smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC001041786853 782206317 /nfs/dbraw/zinc/20/63/17/782206317.db2.gz WITXHDGJQBIWMX-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786853 782206321 /nfs/dbraw/zinc/20/63/21/782206321.db2.gz WITXHDGJQBIWMX-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786853 782206330 /nfs/dbraw/zinc/20/63/30/782206330.db2.gz WITXHDGJQBIWMX-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786853 782206339 /nfs/dbraw/zinc/20/63/39/782206339.db2.gz WITXHDGJQBIWMX-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786853 782206346 /nfs/dbraw/zinc/20/63/46/782206346.db2.gz WITXHDGJQBIWMX-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3csnn3)C2)C1=O ZINC000972025488 735522142 /nfs/dbraw/zinc/52/21/42/735522142.db2.gz SIIKOUSRRWZHBO-DGCLKSJQSA-N 1 1 335.433 0.471 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)[C@H](C)CNc1nc(C)[nH+]c(C)c1C ZINC001104530809 738440323 /nfs/dbraw/zinc/44/03/23/738440323.db2.gz QMWYKBNDQHGTCH-LLVKDONJSA-N 1 1 331.420 0.800 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC000981957206 751340431 /nfs/dbraw/zinc/34/04/31/751340431.db2.gz GDAKMBHMPAZVGL-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCC4)[C@H]2C1 ZINC001083275753 738494421 /nfs/dbraw/zinc/49/44/21/738494421.db2.gz VCUWWDDCXBXULI-JKSUJKDBSA-N 1 1 329.400 0.987 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCC4)[C@H]2C1 ZINC001083275753 738494425 /nfs/dbraw/zinc/49/44/25/738494425.db2.gz VCUWWDDCXBXULI-JKSUJKDBSA-N 1 1 329.400 0.987 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cnc(OC)nc2)CC1 ZINC001098520908 731572555 /nfs/dbraw/zinc/57/25/55/731572555.db2.gz JMQXDUVUYCSZBF-UHFFFAOYSA-N 1 1 332.404 0.407 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)C3=COCCO3)C2)C1=O ZINC000969242679 731639621 /nfs/dbraw/zinc/63/96/21/731639621.db2.gz KPSMDGXHAJJRNM-OCCSQVGLSA-N 1 1 335.404 0.098 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)C3=COCCO3)C2)C1=O ZINC000969242680 731639675 /nfs/dbraw/zinc/63/96/75/731639675.db2.gz KPSMDGXHAJJRNM-TZMCWYRMSA-N 1 1 335.404 0.098 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001211497246 731731858 /nfs/dbraw/zinc/73/18/58/731731858.db2.gz CVKPOJVVFSNULB-IIAWOOMASA-N 1 1 335.448 0.235 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001211497246 731731861 /nfs/dbraw/zinc/73/18/61/731731861.db2.gz CVKPOJVVFSNULB-IIAWOOMASA-N 1 1 335.448 0.235 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CC(N)=O)C2)[nH]1 ZINC001087351058 738535959 /nfs/dbraw/zinc/53/59/59/738535959.db2.gz LTNXWMZDHZVHIG-NHULGOKLSA-N 1 1 327.388 0.154 20 30 ECEDMO CC1(C)C[N@@H+](CCN2CCNC2=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973006858 738536784 /nfs/dbraw/zinc/53/67/84/738536784.db2.gz VIPJRCZHWGMXAI-AWEZNQCLSA-N 1 1 344.419 0.352 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccnn3C)C2)C1=O ZINC000969388138 731788535 /nfs/dbraw/zinc/78/85/35/731788535.db2.gz CJAXULNZEUQAQA-SWLSCSKDSA-N 1 1 331.420 0.257 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Br)o2)C1 ZINC001078065753 782238239 /nfs/dbraw/zinc/23/82/39/782238239.db2.gz RIKYXANPDUNLRF-NXEZZACHSA-N 1 1 327.178 0.840 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Br)o2)C1 ZINC001078065753 782238249 /nfs/dbraw/zinc/23/82/49/782238249.db2.gz RIKYXANPDUNLRF-NXEZZACHSA-N 1 1 327.178 0.840 20 30 ECEDMO Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001041808213 782243980 /nfs/dbraw/zinc/24/39/80/782243980.db2.gz AIUPGHKFSPMOKO-SRCQZFHVSA-N 1 1 343.431 0.533 20 30 ECEDMO Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001041808213 782243988 /nfs/dbraw/zinc/24/39/88/782243988.db2.gz AIUPGHKFSPMOKO-SRCQZFHVSA-N 1 1 343.431 0.533 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000969463036 731910384 /nfs/dbraw/zinc/91/03/84/731910384.db2.gz JBNWDHZGOIDPKM-LLVKDONJSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2O)C1 ZINC000973026291 738555587 /nfs/dbraw/zinc/55/55/87/738555587.db2.gz UFZSUEXAHQPQBC-DZKIICNBSA-N 1 1 341.411 0.867 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2O)C1 ZINC000973026291 738555593 /nfs/dbraw/zinc/55/55/93/738555593.db2.gz UFZSUEXAHQPQBC-DZKIICNBSA-N 1 1 341.411 0.867 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCN(C(=O)CC)C2)CC1 ZINC001098524552 732068151 /nfs/dbraw/zinc/06/81/51/732068151.db2.gz LXXOLNRYGZJIBJ-INIZCTEOSA-N 1 1 349.475 0.554 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969787740 732348887 /nfs/dbraw/zinc/34/88/87/732348887.db2.gz FVPPESZRLQBXPV-CZUORRHYSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC000969812315 732399741 /nfs/dbraw/zinc/39/97/41/732399741.db2.gz XVTWMGNSCZUGJH-WCVJEAGWSA-N 1 1 328.416 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC000969812315 732399747 /nfs/dbraw/zinc/39/97/47/732399747.db2.gz XVTWMGNSCZUGJH-WCVJEAGWSA-N 1 1 328.416 0.445 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C(=O)N2CCC[C@H]2CC)CC1 ZINC001098526448 732529224 /nfs/dbraw/zinc/52/92/24/732529224.db2.gz JMCJRRQJMBDTIQ-MRXNPFEDSA-N 1 1 349.475 0.696 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)C[C@H](C)N2CCCC2=O)CC1 ZINC001098530808 733027325 /nfs/dbraw/zinc/02/73/25/733027325.db2.gz OJTFRWPSWBDQHR-INIZCTEOSA-N 1 1 349.475 0.696 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125326911 733045937 /nfs/dbraw/zinc/04/59/37/733045937.db2.gz BZQGLSOPEWYYBC-UONOGXRCSA-N 1 1 346.435 0.088 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC001098533100 733064090 /nfs/dbraw/zinc/06/40/90/733064090.db2.gz SKEXEEJJOWNWHI-AWEZNQCLSA-N 1 1 347.463 0.771 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001098533100 733064091 /nfs/dbraw/zinc/06/40/91/733064091.db2.gz SKEXEEJJOWNWHI-AWEZNQCLSA-N 1 1 347.463 0.771 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001098533100 733064093 /nfs/dbraw/zinc/06/40/93/733064093.db2.gz SKEXEEJJOWNWHI-AWEZNQCLSA-N 1 1 347.463 0.771 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001098533100 733064096 /nfs/dbraw/zinc/06/40/96/733064096.db2.gz SKEXEEJJOWNWHI-AWEZNQCLSA-N 1 1 347.463 0.771 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001098533100 733064100 /nfs/dbraw/zinc/06/41/00/733064100.db2.gz SKEXEEJJOWNWHI-AWEZNQCLSA-N 1 1 347.463 0.771 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CCc2c[nH]nn2)CC1 ZINC001167267389 733109565 /nfs/dbraw/zinc/10/95/65/733109565.db2.gz RTSCXGKSNVWHOF-ZDUSSCGKSA-N 1 1 348.451 0.304 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CCc2cnn[nH]2)CC1 ZINC001167267389 733109568 /nfs/dbraw/zinc/10/95/68/733109568.db2.gz RTSCXGKSNVWHOF-ZDUSSCGKSA-N 1 1 348.451 0.304 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cc(C)nc(CO)n1 ZINC001104253358 733367711 /nfs/dbraw/zinc/36/77/11/733367711.db2.gz LPMMNEJUWAMAQY-ZFWWWQNUSA-N 1 1 345.447 0.539 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cc(C)nc(CO)n1 ZINC001104253358 733367712 /nfs/dbraw/zinc/36/77/12/733367712.db2.gz LPMMNEJUWAMAQY-ZFWWWQNUSA-N 1 1 345.447 0.539 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970340390 733392421 /nfs/dbraw/zinc/39/24/21/733392421.db2.gz OSWDYQJBKFMWSO-SNVBAGLBSA-N 1 1 343.412 0.953 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001104270171 733538260 /nfs/dbraw/zinc/53/82/60/733538260.db2.gz PTUOMUFQZGDYPG-UXIGCNINSA-N 1 1 346.435 0.540 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001104270171 733538262 /nfs/dbraw/zinc/53/82/62/733538262.db2.gz PTUOMUFQZGDYPG-UXIGCNINSA-N 1 1 346.435 0.540 20 30 ECEDMO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)cc1C#N ZINC000970445583 733542520 /nfs/dbraw/zinc/54/25/20/733542520.db2.gz IVAQXWPDEUQROK-CQSZACIVSA-N 1 1 340.387 0.618 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000970448303 733546108 /nfs/dbraw/zinc/54/61/08/733546108.db2.gz XXKPEWUKBUKCMH-BMFZPTHFSA-N 1 1 335.448 0.636 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)CCOCC)CC2)nc1 ZINC001098537333 733596574 /nfs/dbraw/zinc/59/65/74/733596574.db2.gz YPNOFMQTMXKGNY-UHFFFAOYSA-N 1 1 345.443 0.998 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nn(CC)nc3C)C2)nc1 ZINC000970517862 733638189 /nfs/dbraw/zinc/63/81/89/733638189.db2.gz BEEGTHBHTAOGLU-OAHLLOKOSA-N 1 1 338.415 0.987 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC001078143510 782370199 /nfs/dbraw/zinc/37/01/99/782370199.db2.gz XJWKAYYXQHHZGD-GHMZBOCLSA-N 1 1 332.326 0.639 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970759756 733917031 /nfs/dbraw/zinc/91/70/31/733917031.db2.gz JVLRDOLORDYMFF-ZDUSSCGKSA-N 1 1 344.415 0.232 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001078163206 782407521 /nfs/dbraw/zinc/40/75/21/782407521.db2.gz AZGUVACWULRQOK-HUUCEWRRSA-N 1 1 334.420 0.394 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(c3ccnc(C#N)n3)CCO2)C1 ZINC001104322101 734299403 /nfs/dbraw/zinc/29/94/03/734299403.db2.gz VNPLOSVZXLNLGE-ZIAGYGMSSA-N 1 1 344.419 0.011 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104323134 734302087 /nfs/dbraw/zinc/30/20/87/734302087.db2.gz JHQNKODTBGPVHB-AWEZNQCLSA-N 1 1 332.408 0.011 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)C(=O)C(C)(C)C)C2)C1=O ZINC000971224777 734374994 /nfs/dbraw/zinc/37/49/94/734374994.db2.gz BWWBKUGSFXHQHY-KBPBESRZSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)C(=O)C(C)(C)C)C2)C1=O ZINC000971224777 734375000 /nfs/dbraw/zinc/37/50/00/734375000.db2.gz BWWBKUGSFXHQHY-KBPBESRZSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CNC(=O)OC)C1 ZINC001149257058 734446289 /nfs/dbraw/zinc/44/62/89/734446289.db2.gz WPCRHYJRYXREMD-ZIAGYGMSSA-N 1 1 327.425 0.904 20 30 ECEDMO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000971363696 734476246 /nfs/dbraw/zinc/47/62/46/734476246.db2.gz CIHPISTUQBPORJ-OAHLLOKOSA-N 1 1 341.419 0.941 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3coc(C)n3)C2)C1=O ZINC000971396854 734515766 /nfs/dbraw/zinc/51/57/66/734515766.db2.gz AQCQDJANUBLONU-DZGCQCFKSA-N 1 1 332.404 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ocnc2C)C1 ZINC000973137506 738822910 /nfs/dbraw/zinc/82/29/10/738822910.db2.gz VOXXBOPYAZUHBF-IHRRRGAJSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ocnc2C)C1 ZINC000973137506 738822912 /nfs/dbraw/zinc/82/29/12/738822912.db2.gz VOXXBOPYAZUHBF-IHRRRGAJSA-N 1 1 330.388 0.458 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3nccnc3C#N)CCO2)C1 ZINC001104350539 734528107 /nfs/dbraw/zinc/52/81/07/734528107.db2.gz ZAMLOSIDOTXNFM-UONOGXRCSA-N 1 1 344.419 0.011 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104350548 734528121 /nfs/dbraw/zinc/52/81/21/734528121.db2.gz ZILBAWPSFOOCCP-YOEHRIQHSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971452279 734611707 /nfs/dbraw/zinc/61/17/07/734611707.db2.gz PXYFCTZQCDJDQG-ZWNOBZJWSA-N 1 1 334.401 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cocn3)[C@@H]2C1 ZINC000971554655 734743359 /nfs/dbraw/zinc/74/33/59/734743359.db2.gz QJGSIFILMCNRRS-VNQPRFMTSA-N 1 1 342.399 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cocn3)[C@@H]2C1 ZINC000971554655 734743363 /nfs/dbraw/zinc/74/33/63/734743363.db2.gz QJGSIFILMCNRRS-VNQPRFMTSA-N 1 1 342.399 0.445 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)CNC(=O)c2ccco2)CC1 ZINC001098555461 734901654 /nfs/dbraw/zinc/90/16/54/734901654.db2.gz KIUXSMVKAYCMOM-UHFFFAOYSA-N 1 1 349.431 0.871 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000973183030 738875844 /nfs/dbraw/zinc/87/58/44/738875844.db2.gz MMNASRRKOXBHIP-JOCQHMNTSA-N 1 1 326.360 0.469 20 30 ECEDMO C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001098556147 735077419 /nfs/dbraw/zinc/07/74/19/735077419.db2.gz IGWGMRGOKSHNDQ-UHFFFAOYSA-N 1 1 326.441 0.296 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC000972082643 735623506 /nfs/dbraw/zinc/62/35/06/735623506.db2.gz PNPAHHTWLMCYRN-STQMWFEESA-N 1 1 347.419 0.059 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)n1 ZINC000972116390 735663344 /nfs/dbraw/zinc/66/33/44/735663344.db2.gz PFNOLFHIFZQRNX-SNVBAGLBSA-N 1 1 331.405 0.490 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001069989136 790283958 /nfs/dbraw/zinc/28/39/58/790283958.db2.gz BWZNEEACIBQCLV-OCCSQVGLSA-N 1 1 346.391 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@H]2CCCO2)C1 ZINC001059847840 751357076 /nfs/dbraw/zinc/35/70/76/751357076.db2.gz WDTRXHDAMZMSQS-YESZJQIVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@H]2CCCO2)C1 ZINC001059847840 751357085 /nfs/dbraw/zinc/35/70/85/751357085.db2.gz WDTRXHDAMZMSQS-YESZJQIVSA-N 1 1 347.459 0.618 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972207432 735785204 /nfs/dbraw/zinc/78/52/04/735785204.db2.gz NNQYAAHDFFKXER-HIFRSBDPSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972224072 735809639 /nfs/dbraw/zinc/80/96/39/735809639.db2.gz MAWIKMMWKQZHSB-OAHLLOKOSA-N 1 1 326.400 0.856 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972224072 735809642 /nfs/dbraw/zinc/80/96/42/735809642.db2.gz MAWIKMMWKQZHSB-OAHLLOKOSA-N 1 1 326.400 0.856 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCN3C(=O)CNC3=O)C2)CC1 ZINC000972238873 735826010 /nfs/dbraw/zinc/82/60/10/735826010.db2.gz QACYWOFSFFKWGE-HNNXBMFYSA-N 1 1 348.447 0.817 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001098566832 735860930 /nfs/dbraw/zinc/86/09/30/735860930.db2.gz QOCACUOCQWVDKI-KRWDZBQOSA-N 1 1 339.480 0.569 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)C[N@H+](CCc1cnn(C)c1)CCO2 ZINC000972297411 735906562 /nfs/dbraw/zinc/90/65/62/735906562.db2.gz IUYCLYDQZOYTKL-WMLDXEAASA-N 1 1 331.420 0.426 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)C[N@@H+](CCc1cnn(C)c1)CCO2 ZINC000972297411 735906565 /nfs/dbraw/zinc/90/65/65/735906565.db2.gz IUYCLYDQZOYTKL-WMLDXEAASA-N 1 1 331.420 0.426 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nccnc3N)C2)C1 ZINC000972306819 735919197 /nfs/dbraw/zinc/91/91/97/735919197.db2.gz AGBRBSITRDFELU-KRWDZBQOSA-N 1 1 331.420 0.942 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000972340456 735968796 /nfs/dbraw/zinc/96/87/96/735968796.db2.gz WVVPAZAMFHWVEW-CRAIPNDOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C4CCC4)nn3)C2)C1 ZINC000972387771 736059302 /nfs/dbraw/zinc/05/93/02/736059302.db2.gz XOSSIQUGBQKVOQ-GOSISDBHSA-N 1 1 343.431 0.943 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C4CCC4)nn3)C2)C1 ZINC000972387771 736059307 /nfs/dbraw/zinc/05/93/07/736059307.db2.gz XOSSIQUGBQKVOQ-GOSISDBHSA-N 1 1 343.431 0.943 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001098569384 736075608 /nfs/dbraw/zinc/07/56/08/736075608.db2.gz IQIVPZKLZCVASK-UHFFFAOYSA-N 1 1 333.432 0.492 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394178 736114192 /nfs/dbraw/zinc/11/41/92/736114192.db2.gz AASUHUARKSAFLQ-VQIMIIECSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394178 736114194 /nfs/dbraw/zinc/11/41/94/736114194.db2.gz AASUHUARKSAFLQ-VQIMIIECSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)c3C)C2)C1 ZINC000972400329 736124149 /nfs/dbraw/zinc/12/41/49/736124149.db2.gz SRNCIRMCWLTGIM-LJQANCHMSA-N 1 1 344.459 0.988 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)c3C)C2)C1 ZINC000972400329 736124150 /nfs/dbraw/zinc/12/41/50/736124150.db2.gz SRNCIRMCWLTGIM-LJQANCHMSA-N 1 1 344.459 0.988 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 ZINC000972421749 736166003 /nfs/dbraw/zinc/16/60/03/736166003.db2.gz IWPAAJZTLSZCBF-ZWKOTPCHSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 ZINC000972421749 736166005 /nfs/dbraw/zinc/16/60/05/736166005.db2.gz IWPAAJZTLSZCBF-ZWKOTPCHSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H](C)N2CCCCC2=O)CC1 ZINC001098571625 736179749 /nfs/dbraw/zinc/17/97/49/736179749.db2.gz SSTKNBRKEYABRZ-INIZCTEOSA-N 1 1 349.475 0.696 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H](C)OCCOCC)CC1 ZINC001098571898 736199263 /nfs/dbraw/zinc/19/92/63/736199263.db2.gz YQYDXEUDLZFGDL-INIZCTEOSA-N 1 1 340.464 0.737 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000972443804 736209229 /nfs/dbraw/zinc/20/92/29/736209229.db2.gz MOLYBYCRCFGHRB-CRAIPNDOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCC(C(N)=O)CC3)C2)C1 ZINC000972445019 736212824 /nfs/dbraw/zinc/21/28/24/736212824.db2.gz YECSZUUAFLQUFM-LADRWXRNSA-N 1 1 347.459 0.605 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCC(C(N)=O)CC3)C2)C1 ZINC000972445019 736212833 /nfs/dbraw/zinc/21/28/33/736212833.db2.gz YECSZUUAFLQUFM-LADRWXRNSA-N 1 1 347.459 0.605 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC000972455997 736245315 /nfs/dbraw/zinc/24/53/15/736245315.db2.gz POAKMVJIHQJEHK-SFHVURJKSA-N 1 1 349.431 0.405 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC000972455997 736245320 /nfs/dbraw/zinc/24/53/20/736245320.db2.gz POAKMVJIHQJEHK-SFHVURJKSA-N 1 1 349.431 0.405 20 30 ECEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3nnc[nH]3)C2)c1 ZINC001022953233 736309487 /nfs/dbraw/zinc/30/94/87/736309487.db2.gz KYJMHQLEZSJZQA-BETUJISGSA-N 1 1 328.351 0.795 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)cn1 ZINC001022992338 736368840 /nfs/dbraw/zinc/36/88/40/736368840.db2.gz JNFQJKOWBLBDKP-LEWSCRJBSA-N 1 1 325.376 0.198 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 ZINC001098575179 736488813 /nfs/dbraw/zinc/48/88/13/736488813.db2.gz FNUAIHRYPRJCQZ-UHFFFAOYSA-N 1 1 335.429 0.379 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3C)C2)C1 ZINC000972513580 736510107 /nfs/dbraw/zinc/51/01/07/736510107.db2.gz IEJUGXUGJVMAOE-QAPCUYQASA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001039580455 736597095 /nfs/dbraw/zinc/59/70/95/736597095.db2.gz VAKDYRVEBFPXJD-QAPCUYQASA-N 1 1 335.448 0.354 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4cccnc4C3)[C@H]2C1 ZINC001083259522 736646500 /nfs/dbraw/zinc/64/65/00/736646500.db2.gz FUBGECMDXWQNHE-BPQIPLTHSA-N 1 1 325.412 0.731 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023297757 736660420 /nfs/dbraw/zinc/66/04/20/736660420.db2.gz NSWKPITZVMSKQK-STQMWFEESA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 ZINC000972547081 736667172 /nfs/dbraw/zinc/66/71/72/736667172.db2.gz VBEFPSJPTMGPFG-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 ZINC000972547081 736667176 /nfs/dbraw/zinc/66/71/76/736667176.db2.gz VBEFPSJPTMGPFG-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)[nH]1 ZINC001023319362 736679435 /nfs/dbraw/zinc/67/94/35/736679435.db2.gz ZTUVVMOIQRJTOQ-WFASDCNBSA-N 1 1 329.404 0.607 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001023403307 736779835 /nfs/dbraw/zinc/77/98/35/736779835.db2.gz JBUUHDZCKLJIPP-HOTGVXAUSA-N 1 1 335.448 0.333 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001023405100 736788652 /nfs/dbraw/zinc/78/86/52/736788652.db2.gz ZTSAJQGHNSUQRD-CVEARBPZSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001023412511 736796646 /nfs/dbraw/zinc/79/66/46/736796646.db2.gz RHHQEUAMOZRNQQ-GFCCVEGCSA-N 1 1 327.388 0.749 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001023416683 736798644 /nfs/dbraw/zinc/79/86/44/736798644.db2.gz CISWUBDMSXAYOK-YOEHRIQHSA-N 1 1 325.412 0.975 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001023424375 736813178 /nfs/dbraw/zinc/81/31/78/736813178.db2.gz WJSYYGYMXCWZEF-RDJZCZTQSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001023424375 736813181 /nfs/dbraw/zinc/81/31/81/736813181.db2.gz WJSYYGYMXCWZEF-RDJZCZTQSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001023443168 736838126 /nfs/dbraw/zinc/83/81/26/736838126.db2.gz GNXUQQRAQOEACJ-LSDHHAIUSA-N 1 1 330.432 0.919 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001023447617 736839324 /nfs/dbraw/zinc/83/93/24/736839324.db2.gz RIGAZBICPRKFBY-LLVKDONJSA-N 1 1 327.406 0.555 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001023465499 736871651 /nfs/dbraw/zinc/87/16/51/736871651.db2.gz UHGKQQSSWDOKQF-NSHDSACASA-N 1 1 327.406 0.555 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001023465498 736871718 /nfs/dbraw/zinc/87/17/18/736871718.db2.gz UHGKQQSSWDOKQF-LLVKDONJSA-N 1 1 327.406 0.555 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001023463856 736874898 /nfs/dbraw/zinc/87/48/98/736874898.db2.gz XMLODNZVZZQLFA-HNNXBMFYSA-N 1 1 331.416 0.570 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC([N@H+](CCO)CCOCC)CC1 ZINC001098577430 736912672 /nfs/dbraw/zinc/91/26/72/736912672.db2.gz JSQBZCPFKGXRQT-OAHLLOKOSA-N 1 1 328.453 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3c[nH]nc3C)C2)C1=O ZINC001023522206 736951310 /nfs/dbraw/zinc/95/13/10/736951310.db2.gz WCZLKQMJKSPOKW-ZBFHGGJFSA-N 1 1 345.447 0.947 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(CC=C)nn3)C2)C1 ZINC000972584997 736965938 /nfs/dbraw/zinc/96/59/38/736965938.db2.gz DYMCICPRGOWCLL-QGZVFWFLSA-N 1 1 331.420 0.957 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC001023584177 737036520 /nfs/dbraw/zinc/03/65/20/737036520.db2.gz VUJMESGUQFHQLS-GOEBONIOSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)c1 ZINC001023583413 737040451 /nfs/dbraw/zinc/04/04/51/737040451.db2.gz HBDXXDLHOSXCNK-GOEBONIOSA-N 1 1 328.416 0.769 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001023605964 737066230 /nfs/dbraw/zinc/06/62/30/737066230.db2.gz NUILXVIBAJHWGC-CABCVRRESA-N 1 1 330.436 0.477 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CCOCC)C1 ZINC001059847774 751386353 /nfs/dbraw/zinc/38/63/53/751386353.db2.gz VFSCGQKIBWKVIQ-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CCOCC)C1 ZINC001059847774 751386358 /nfs/dbraw/zinc/38/63/58/751386358.db2.gz VFSCGQKIBWKVIQ-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC2(CN(C(=O)C(N)=O)C2)C1 ZINC000981972739 751387769 /nfs/dbraw/zinc/38/77/69/751387769.db2.gz ZZLWHVKRKICLLX-UHFFFAOYSA-N 1 1 342.399 0.477 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001023643110 737131853 /nfs/dbraw/zinc/13/18/53/737131853.db2.gz OWLDSEOUWWALAD-VYDXJSESSA-N 1 1 337.464 0.884 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001023647008 737136056 /nfs/dbraw/zinc/13/60/56/737136056.db2.gz SMHIMMUZEBSQPM-ZDUSSCGKSA-N 1 1 327.388 0.900 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972635598 737185211 /nfs/dbraw/zinc/18/52/11/737185211.db2.gz SGFGBMKDUFZXRG-APWZRJJASA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972635598 737185214 /nfs/dbraw/zinc/18/52/14/737185214.db2.gz SGFGBMKDUFZXRG-APWZRJJASA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638856 737201112 /nfs/dbraw/zinc/20/11/12/737201112.db2.gz ODDYAXSKMVPOHF-KSSFIOAISA-N 1 1 343.431 0.236 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638856 737201114 /nfs/dbraw/zinc/20/11/14/737201114.db2.gz ODDYAXSKMVPOHF-KSSFIOAISA-N 1 1 343.431 0.236 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972640383 737203131 /nfs/dbraw/zinc/20/31/31/737203131.db2.gz JFVRMMLSCOUMIZ-GOSISDBHSA-N 1 1 345.399 0.003 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972640383 737203133 /nfs/dbraw/zinc/20/31/33/737203133.db2.gz JFVRMMLSCOUMIZ-GOSISDBHSA-N 1 1 345.399 0.003 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC001023707014 737223452 /nfs/dbraw/zinc/22/34/52/737223452.db2.gz GLRRICXVNZLPBX-LSDHHAIUSA-N 1 1 331.416 0.916 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001023707914 737225807 /nfs/dbraw/zinc/22/58/07/737225807.db2.gz ZVZQPVUDBFFCQF-UONOGXRCSA-N 1 1 344.415 0.409 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+](CCCO)C1 ZINC001023707659 737225905 /nfs/dbraw/zinc/22/59/05/737225905.db2.gz VAVBAULUMHTVOW-OAHLLOKOSA-N 1 1 331.416 0.918 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972659976 737272329 /nfs/dbraw/zinc/27/23/29/737272329.db2.gz QVNVNZQSBVLCEN-QAPCUYQASA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972659976 737272333 /nfs/dbraw/zinc/27/23/33/737272333.db2.gz QVNVNZQSBVLCEN-QAPCUYQASA-N 1 1 333.432 0.324 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972661211 737277212 /nfs/dbraw/zinc/27/72/12/737277212.db2.gz ZRLXKUSPLHWULN-MAUKXSAKSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972661211 737277215 /nfs/dbraw/zinc/27/72/15/737277215.db2.gz ZRLXKUSPLHWULN-MAUKXSAKSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)C1 ZINC000972669361 737315958 /nfs/dbraw/zinc/31/59/58/737315958.db2.gz LFAQCZZWQZWAGP-SFHVURJKSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)C1 ZINC000972669361 737315960 /nfs/dbraw/zinc/31/59/60/737315960.db2.gz LFAQCZZWQZWAGP-SFHVURJKSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN([C@@H](C)C(N)=O)C2)CC1 ZINC001023761928 737326178 /nfs/dbraw/zinc/32/61/78/737326178.db2.gz MVLBARDEDFUJEW-GJZGRUSLSA-N 1 1 334.464 0.034 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001023915598 737480135 /nfs/dbraw/zinc/48/01/35/737480135.db2.gz PBYIFABVKXJUOX-NSHDSACASA-N 1 1 328.380 0.052 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001023969887 737562942 /nfs/dbraw/zinc/56/29/42/737562942.db2.gz YPOTXEUQKXKFSP-KBUPBQIOSA-N 1 1 335.448 0.371 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N2CCC2)c[nH]1 ZINC001024399323 737940433 /nfs/dbraw/zinc/94/04/33/737940433.db2.gz HRCOTEZBPMDHMN-HNNXBMFYSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N2CCC2)c[nH]1 ZINC001024399323 737940437 /nfs/dbraw/zinc/94/04/37/737940437.db2.gz HRCOTEZBPMDHMN-HNNXBMFYSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ncn(C)n2)C1=O ZINC001024426109 737960295 /nfs/dbraw/zinc/96/02/95/737960295.db2.gz UJISPBGWRNOOMU-KBPBESRZSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ncn(C)n2)C1=O ZINC001024426109 737960298 /nfs/dbraw/zinc/96/02/98/737960298.db2.gz UJISPBGWRNOOMU-KBPBESRZSA-N 1 1 346.435 0.186 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1nnc(C)o1 ZINC001024487414 738014355 /nfs/dbraw/zinc/01/43/55/738014355.db2.gz OMCIGWSLLORMSB-CVEARBPZSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1nnc(C)o1 ZINC001024487414 738014358 /nfs/dbraw/zinc/01/43/58/738014358.db2.gz OMCIGWSLLORMSB-CVEARBPZSA-N 1 1 345.447 0.946 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001024515555 738049610 /nfs/dbraw/zinc/04/96/10/738049610.db2.gz VESFIWYWQMWTMS-UONOGXRCSA-N 1 1 331.420 0.540 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]2CCC[N@H+](CC(N)=O)[C@H]21 ZINC001087278846 738075223 /nfs/dbraw/zinc/07/52/23/738075223.db2.gz NNDTZOSEDZIYAS-NWANDNLSSA-N 1 1 329.404 0.590 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]2CCC[N@@H+](CC(N)=O)[C@H]21 ZINC001087278846 738075228 /nfs/dbraw/zinc/07/52/28/738075228.db2.gz NNDTZOSEDZIYAS-NWANDNLSSA-N 1 1 329.404 0.590 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001024559142 738106428 /nfs/dbraw/zinc/10/64/28/738106428.db2.gz TYEHKAMGVFHSPA-CQSZACIVSA-N 1 1 326.404 0.971 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001024559142 738106431 /nfs/dbraw/zinc/10/64/31/738106431.db2.gz TYEHKAMGVFHSPA-CQSZACIVSA-N 1 1 326.404 0.971 20 30 ECEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001024567916 738116349 /nfs/dbraw/zinc/11/63/49/738116349.db2.gz MUCYMVZMRTWBCD-ZFWWWQNUSA-N 1 1 331.420 0.912 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087287456 738118760 /nfs/dbraw/zinc/11/87/60/738118760.db2.gz IBXCHDZIPGOHNL-KFWWJZLASA-N 1 1 338.473 0.660 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087287456 738118762 /nfs/dbraw/zinc/11/87/62/738118762.db2.gz IBXCHDZIPGOHNL-KFWWJZLASA-N 1 1 338.473 0.660 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)n1 ZINC001024607808 738161793 /nfs/dbraw/zinc/16/17/93/738161793.db2.gz KDYNYYNMXLXPEV-OAHLLOKOSA-N 1 1 339.403 0.866 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)n1 ZINC001024607808 738161794 /nfs/dbraw/zinc/16/17/94/738161794.db2.gz KDYNYYNMXLXPEV-OAHLLOKOSA-N 1 1 339.403 0.866 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087308420 738228719 /nfs/dbraw/zinc/22/87/19/738228719.db2.gz PZTVASIAQQDRAU-WQVCFCJDSA-N 1 1 348.447 0.720 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC(=O)NC(=O)C3)C(C)(C)[C@H]21 ZINC001087309622 738236396 /nfs/dbraw/zinc/23/63/96/738236396.db2.gz JUNDMNSDEFVAOK-KCXAZCMYSA-N 1 1 333.432 0.830 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC001087309407 738238510 /nfs/dbraw/zinc/23/85/10/738238510.db2.gz GPAJIEGOWJXHAR-UHOFOFEASA-N 1 1 331.416 0.278 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087312515 738245812 /nfs/dbraw/zinc/24/58/12/738245812.db2.gz GNOOSUXIIPOBFH-KCXAZCMYSA-N 1 1 348.447 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000987971117 751394718 /nfs/dbraw/zinc/39/47/18/751394718.db2.gz VFQSARUIVMYADQ-IXDOHACOSA-N 1 1 349.475 0.408 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000987971117 751394724 /nfs/dbraw/zinc/39/47/24/751394724.db2.gz VFQSARUIVMYADQ-IXDOHACOSA-N 1 1 349.475 0.408 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001024731078 738254512 /nfs/dbraw/zinc/25/45/12/738254512.db2.gz CBJUGRHFDYFSCJ-CVEARBPZSA-N 1 1 345.447 0.922 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001024731078 738254516 /nfs/dbraw/zinc/25/45/16/738254516.db2.gz CBJUGRHFDYFSCJ-CVEARBPZSA-N 1 1 345.447 0.922 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001024731519 738255096 /nfs/dbraw/zinc/25/50/96/738255096.db2.gz JVZZKLPVAZMSKM-CVEARBPZSA-N 1 1 345.447 0.922 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C(C)(C)[C@H]21 ZINC001087316369 738271583 /nfs/dbraw/zinc/27/15/83/738271583.db2.gz QPTZSFBQONAAHB-BMFZPTHFSA-N 1 1 345.447 0.129 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3C(=O)CN(C)C3=O)C(C)(C)[C@H]21 ZINC001087318015 738289258 /nfs/dbraw/zinc/28/92/58/738289258.db2.gz PTESZZCLBSBFOK-KCXAZCMYSA-N 1 1 348.447 0.672 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001024812646 738317021 /nfs/dbraw/zinc/31/70/21/738317021.db2.gz QPWDWAPRMTZCED-CYBMUJFWSA-N 1 1 334.424 0.314 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 ZINC001025246327 738920711 /nfs/dbraw/zinc/92/07/11/738920711.db2.gz VSLWBZABGPJKEC-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC000973219805 738927194 /nfs/dbraw/zinc/92/71/94/738927194.db2.gz JOYGIWRPPIOEBU-QAETUUGQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC000973219805 738927196 /nfs/dbraw/zinc/92/71/96/738927196.db2.gz JOYGIWRPPIOEBU-QAETUUGQSA-N 1 1 347.459 0.664 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025259480 738944911 /nfs/dbraw/zinc/94/49/11/738944911.db2.gz PSRZAIFUCCJDIW-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ncccc2C#N)C1 ZINC001104579111 739011873 /nfs/dbraw/zinc/01/18/73/739011873.db2.gz KIIZPJBNCBREBS-ZFWWWQNUSA-N 1 1 331.420 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ncccc2C#N)C1 ZINC001104579111 739011878 /nfs/dbraw/zinc/01/18/78/739011878.db2.gz KIIZPJBNCBREBS-ZFWWWQNUSA-N 1 1 331.420 0.933 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC000973284674 739046954 /nfs/dbraw/zinc/04/69/54/739046954.db2.gz HBOKSJZECXZKMN-MGPQQGTHSA-N 1 1 346.435 0.325 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000973330910 739097427 /nfs/dbraw/zinc/09/74/27/739097427.db2.gz FQVRLOWCROFCFW-BASLNEPJSA-N 1 1 340.427 0.780 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000973330407 739102781 /nfs/dbraw/zinc/10/27/81/739102781.db2.gz JRYCBOJDXXVCHQ-HHARLNAUSA-N 1 1 346.475 0.188 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCc2cnn(C)c2)nn1 ZINC001028188096 751421038 /nfs/dbraw/zinc/42/10/38/751421038.db2.gz TUCJBVUWWNMVDN-HNNXBMFYSA-N 1 1 343.435 0.635 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N(C)C2CC2)nn1 ZINC001028188306 751423428 /nfs/dbraw/zinc/42/34/28/751423428.db2.gz ZKBMLAUKPRJWBW-AWEZNQCLSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)C2CC2)nn1 ZINC001028188306 751423432 /nfs/dbraw/zinc/42/34/32/751423432.db2.gz ZKBMLAUKPRJWBW-AWEZNQCLSA-N 1 1 346.435 0.279 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3=COCCO3)[C@@H](O)C2)c1 ZINC001083322271 751423605 /nfs/dbraw/zinc/42/36/05/751423605.db2.gz ZZAGHXDERCZMLO-CABCVRRESA-N 1 1 329.356 0.108 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C3=COCCO3)[C@@H](O)C2)c1 ZINC001083322271 751423608 /nfs/dbraw/zinc/42/36/08/751423608.db2.gz ZZAGHXDERCZMLO-CABCVRRESA-N 1 1 329.356 0.108 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCn2cccn2)nn1 ZINC001028193253 751435225 /nfs/dbraw/zinc/43/52/25/751435225.db2.gz ZGESPMMCCXYEDW-HNNXBMFYSA-N 1 1 343.435 0.945 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccn3nnnc23)C1 ZINC001025427042 739487068 /nfs/dbraw/zinc/48/70/68/739487068.db2.gz BRHAGNWLZXWXEB-ZIAGYGMSSA-N 1 1 326.404 0.978 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000973550471 739508055 /nfs/dbraw/zinc/50/80/55/739508055.db2.gz ZBTHPHBXKZPEQB-QCODTGAPSA-N 1 1 335.448 0.683 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001025471823 739615357 /nfs/dbraw/zinc/61/53/57/739615357.db2.gz IUFVVNPMSZZEGU-KGLIPLIRSA-N 1 1 330.432 0.978 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001025556443 739715375 /nfs/dbraw/zinc/71/53/75/739715375.db2.gz UWDBKLQQDUJLAF-OLZOCXBDSA-N 1 1 327.388 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001025556442 739715447 /nfs/dbraw/zinc/71/54/47/739715447.db2.gz UWDBKLQQDUJLAF-CHWSQXEVSA-N 1 1 327.388 0.898 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3CN(CC(=C)C)C[C@@H]32)CC1 ZINC001083283570 739741880 /nfs/dbraw/zinc/74/18/80/739741880.db2.gz IRUAGUXLKUHDNG-ZWKOTPCHSA-N 1 1 331.460 0.819 20 30 ECEDMO C#CCCN1C[C@H]2OCCN(C(=O)C3CC[NH+](CC#C)CC3)[C@H]2C1 ZINC001083283641 739743193 /nfs/dbraw/zinc/74/31/93/739743193.db2.gz MANOARMNSWWXRI-ZWKOTPCHSA-N 1 1 329.444 0.267 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001098515767 751477924 /nfs/dbraw/zinc/47/79/24/751477924.db2.gz JPJFKTIDBYYVJE-UHFFFAOYSA-N 1 1 334.420 0.105 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025614543 739776703 /nfs/dbraw/zinc/77/67/03/739776703.db2.gz LRLJOWNIVDOZFV-QWHCGFSZSA-N 1 1 329.404 0.429 20 30 ECEDMO CC(C)c1[nH+]ccn1CCC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N ZINC001058657438 739843948 /nfs/dbraw/zinc/84/39/48/739843948.db2.gz ZGKYRMXTURMFJE-AWEZNQCLSA-N 1 1 349.435 0.493 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001025684542 739859584 /nfs/dbraw/zinc/85/95/84/739859584.db2.gz LNTICTVRFRRNMC-RRFJBIMHSA-N 1 1 335.448 0.515 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N ZINC001058658811 739901761 /nfs/dbraw/zinc/90/17/61/739901761.db2.gz MAWSIYXUSRUOKS-LSDHHAIUSA-N 1 1 338.452 0.346 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CCC2)C[C@H]1C(F)(F)F ZINC001112032728 739943816 /nfs/dbraw/zinc/94/38/16/739943816.db2.gz XPELFGCXBIHATB-CYZMBNFOSA-N 1 1 345.365 0.903 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025790829 739954015 /nfs/dbraw/zinc/95/40/15/739954015.db2.gz UJNLIDAZLJZBPV-LGFJLYTPSA-N 1 1 333.432 0.293 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C(C)C)C1 ZINC001149173746 740131349 /nfs/dbraw/zinc/13/13/49/740131349.db2.gz AQHMCVXVYDAOCG-OAHLLOKOSA-N 1 1 338.452 0.612 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)C(C)C)C1 ZINC001149173746 740131353 /nfs/dbraw/zinc/13/13/53/740131353.db2.gz AQHMCVXVYDAOCG-OAHLLOKOSA-N 1 1 338.452 0.612 20 30 ECEDMO Cc1nsc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001068464211 790320891 /nfs/dbraw/zinc/32/08/91/790320891.db2.gz BRDNRBQRJGDWEI-YRGRVCCFSA-N 1 1 349.460 0.961 20 30 ECEDMO Cc1nsc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001068464211 790320903 /nfs/dbraw/zinc/32/09/03/790320903.db2.gz BRDNRBQRJGDWEI-YRGRVCCFSA-N 1 1 349.460 0.961 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cccnc2)C1 ZINC000973802562 740307117 /nfs/dbraw/zinc/30/71/17/740307117.db2.gz BAPPKUIRVITCAR-XHSDSOJGSA-N 1 1 326.400 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cccnc2)C1 ZINC000973802562 740307121 /nfs/dbraw/zinc/30/71/21/740307121.db2.gz BAPPKUIRVITCAR-XHSDSOJGSA-N 1 1 326.400 0.556 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)nn1 ZINC001087393227 740444914 /nfs/dbraw/zinc/44/49/14/740444914.db2.gz UIIGKBHCZYMYOG-AYDFFVQHSA-N 1 1 331.420 0.239 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC000982071598 751561628 /nfs/dbraw/zinc/56/16/28/751561628.db2.gz MFTSAAVGUJFQIP-UHFFFAOYSA-N 1 1 332.404 0.037 20 30 ECEDMO CC#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000982073741 751563556 /nfs/dbraw/zinc/56/35/56/751563556.db2.gz CEFZEPKZWJJBSJ-UHFFFAOYSA-N 1 1 328.416 0.825 20 30 ECEDMO Cc1cc(N(C)CCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001112055253 740654069 /nfs/dbraw/zinc/65/40/69/740654069.db2.gz JBZVWOOGELWVAB-KRWDZBQOSA-N 1 1 345.447 0.877 20 30 ECEDMO Cc1cc(N(C)CCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001112055253 740654072 /nfs/dbraw/zinc/65/40/72/740654072.db2.gz JBZVWOOGELWVAB-KRWDZBQOSA-N 1 1 345.447 0.877 20 30 ECEDMO Cc1cc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001104869824 740769545 /nfs/dbraw/zinc/76/95/45/740769545.db2.gz FQABRDSLIVIMPF-CKEIUWERSA-N 1 1 345.447 0.662 20 30 ECEDMO Cc1cc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001104869824 740769549 /nfs/dbraw/zinc/76/95/49/740769549.db2.gz FQABRDSLIVIMPF-CKEIUWERSA-N 1 1 345.447 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2C)C1 ZINC000974011849 740771078 /nfs/dbraw/zinc/77/10/78/740771078.db2.gz YAFFEDFUVRSANP-XHSDSOJGSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2C)C1 ZINC000974011849 740771080 /nfs/dbraw/zinc/77/10/80/740771080.db2.gz YAFFEDFUVRSANP-XHSDSOJGSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(F)cn2)C1 ZINC000974052451 740851536 /nfs/dbraw/zinc/85/15/36/740851536.db2.gz BYNNQNABNLEHNN-LZWOXQAQSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(F)cn2)C1 ZINC000974052451 740851539 /nfs/dbraw/zinc/85/15/39/740851539.db2.gz BYNNQNABNLEHNN-LZWOXQAQSA-N 1 1 344.390 0.695 20 30 ECEDMO CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001104914698 740914879 /nfs/dbraw/zinc/91/48/79/740914879.db2.gz CCERAHFHNYUERG-KBPBESRZSA-N 1 1 330.436 0.807 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC000982102923 751591142 /nfs/dbraw/zinc/59/11/42/751591142.db2.gz DYWPTCUYQWLGBK-UHFFFAOYSA-N 1 1 346.431 0.265 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC000982104765 751591709 /nfs/dbraw/zinc/59/17/09/751591709.db2.gz MZINGTSFAXXJHK-UHFFFAOYSA-N 1 1 334.420 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccn(CC)n2)C1 ZINC000974128403 740973807 /nfs/dbraw/zinc/97/38/07/740973807.db2.gz QUNOTJQVSWQFCV-LZWOXQAQSA-N 1 1 343.431 0.378 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccn(CC)n2)C1 ZINC000974128403 740973810 /nfs/dbraw/zinc/97/38/10/740973810.db2.gz QUNOTJQVSWQFCV-LZWOXQAQSA-N 1 1 343.431 0.378 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC000974143183 740999620 /nfs/dbraw/zinc/99/96/20/740999620.db2.gz HBOKSJZECXZKMN-MELADBBJSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000974143741 741000917 /nfs/dbraw/zinc/00/09/17/741000917.db2.gz XINBATXDOVYKJQ-VNHYZAJKSA-N 1 1 346.435 0.325 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000974194264 741083131 /nfs/dbraw/zinc/08/31/31/741083131.db2.gz LAXBMBCHQVSCIP-QLFBSQMISA-N 1 1 335.448 0.827 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000974194264 741083133 /nfs/dbraw/zinc/08/31/33/741083133.db2.gz LAXBMBCHQVSCIP-QLFBSQMISA-N 1 1 335.448 0.827 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000982116745 751609388 /nfs/dbraw/zinc/60/93/88/751609388.db2.gz RTFXDBNQXMCNSC-AWEZNQCLSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC000982116745 751609394 /nfs/dbraw/zinc/60/93/94/751609394.db2.gz RTFXDBNQXMCNSC-AWEZNQCLSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC000982116745 751609396 /nfs/dbraw/zinc/60/93/96/751609396.db2.gz RTFXDBNQXMCNSC-AWEZNQCLSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC000982116745 751609402 /nfs/dbraw/zinc/60/94/02/751609402.db2.gz RTFXDBNQXMCNSC-AWEZNQCLSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC000982116745 751609404 /nfs/dbraw/zinc/60/94/04/751609404.db2.gz RTFXDBNQXMCNSC-AWEZNQCLSA-N 1 1 327.432 0.857 20 30 ECEDMO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C(F)(F)F ZINC001112070933 741143423 /nfs/dbraw/zinc/14/34/23/741143423.db2.gz LAPPOYKDQPVOML-GMTAPVOTSA-N 1 1 334.342 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc(C)n2C)C1 ZINC000974263388 741193893 /nfs/dbraw/zinc/19/38/93/741193893.db2.gz VUHODTHXIQTFQI-ZNMIVQPWSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc(C)n2C)C1 ZINC000974263388 741193897 /nfs/dbraw/zinc/19/38/97/741193897.db2.gz VUHODTHXIQTFQI-ZNMIVQPWSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000974266012 741198616 /nfs/dbraw/zinc/19/86/16/741198616.db2.gz SXRJDWJJFOKKBI-RBGFHDKUSA-N 1 1 333.432 0.415 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000974266012 741198619 /nfs/dbraw/zinc/19/86/19/741198619.db2.gz SXRJDWJJFOKKBI-RBGFHDKUSA-N 1 1 333.432 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nnc(CC)s1 ZINC001038368495 741227282 /nfs/dbraw/zinc/22/72/82/741227282.db2.gz QHGOYPQOGZXWHA-KGLIPLIRSA-N 1 1 347.488 0.889 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nnc(CC)s1 ZINC001038368495 741227286 /nfs/dbraw/zinc/22/72/86/741227286.db2.gz QHGOYPQOGZXWHA-KGLIPLIRSA-N 1 1 347.488 0.889 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC000982123924 751619024 /nfs/dbraw/zinc/61/90/24/751619024.db2.gz SPYMCQCHBOCLCF-UHFFFAOYSA-N 1 1 342.399 0.117 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC000982123924 751619027 /nfs/dbraw/zinc/61/90/27/751619027.db2.gz SPYMCQCHBOCLCF-UHFFFAOYSA-N 1 1 342.399 0.117 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ncccn2)C1=O ZINC001028219205 751624037 /nfs/dbraw/zinc/62/40/37/751624037.db2.gz YGULLANQXAWKOJ-UONOGXRCSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ncccn2)C1=O ZINC001028219205 751624041 /nfs/dbraw/zinc/62/40/41/751624041.db2.gz YGULLANQXAWKOJ-UONOGXRCSA-N 1 1 329.404 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1cc(C)ncn1 ZINC001038369387 741310740 /nfs/dbraw/zinc/31/07/40/741310740.db2.gz VDJSNUPFSYAHSQ-IRXDYDNUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1cc(C)ncn1 ZINC001038369387 741310744 /nfs/dbraw/zinc/31/07/44/741310744.db2.gz VDJSNUPFSYAHSQ-IRXDYDNUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cc(C)ncn1 ZINC001038369391 741311265 /nfs/dbraw/zinc/31/12/65/741311265.db2.gz VDJSNUPFSYAHSQ-SJORKVTESA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cc(C)ncn1 ZINC001038369391 741311269 /nfs/dbraw/zinc/31/12/69/741311269.db2.gz VDJSNUPFSYAHSQ-SJORKVTESA-N 1 1 327.432 0.573 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000974326695 741322147 /nfs/dbraw/zinc/32/21/47/741322147.db2.gz BYGZDQLIJUXTNQ-BHYGNILZSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(CO)cc1 ZINC001038369938 741343668 /nfs/dbraw/zinc/34/36/68/741343668.db2.gz YBFOEUKEXKWPLG-OALUTQOASA-N 1 1 341.455 0.967 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(CO)cc1 ZINC001038369938 741343674 /nfs/dbraw/zinc/34/36/74/741343674.db2.gz YBFOEUKEXKWPLG-OALUTQOASA-N 1 1 341.455 0.967 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)F)C2)nn1 ZINC001105130241 741400023 /nfs/dbraw/zinc/40/00/23/741400023.db2.gz HSUKSVNBHNQZFQ-UHFFFAOYSA-N 1 1 325.388 0.702 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3cnsn3)C2)nn1 ZINC001105171326 741438905 /nfs/dbraw/zinc/43/89/05/741438905.db2.gz HUSSHAPMDICIHO-UHFFFAOYSA-N 1 1 349.420 0.119 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3coc(C)n3)C2)nn1 ZINC001105221739 741496303 /nfs/dbraw/zinc/49/63/03/741496303.db2.gz SFJPOPQAAJNCHX-UHFFFAOYSA-N 1 1 346.391 0.564 20 30 ECEDMO C#CCCCC(=O)N1CC(n2cc(C[NH2+]CCn3cccn3)nn2)C1 ZINC001105225318 741506615 /nfs/dbraw/zinc/50/66/15/741506615.db2.gz PUBOLTBSQNOHCU-UHFFFAOYSA-N 1 1 341.419 0.451 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnnn3CC)C2)nn1 ZINC001105230745 741514919 /nfs/dbraw/zinc/51/49/19/741514919.db2.gz VZWOAZCUGGTZTN-UHFFFAOYSA-N 1 1 330.396 0.252 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240453 741531714 /nfs/dbraw/zinc/53/17/14/741531714.db2.gz NQQXZSJOJPQCHX-DZGCQCFKSA-N 1 1 343.435 0.149 20 30 ECEDMO O=C(C#CC1CC1)N1CC(n2cc(C[NH2+]CCn3cccn3)nn2)C1 ZINC001105238290 741532198 /nfs/dbraw/zinc/53/21/98/741532198.db2.gz UOIZLXMMWDFMCD-UHFFFAOYSA-N 1 1 339.403 0.061 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 ZINC000982135443 751648384 /nfs/dbraw/zinc/64/83/84/751648384.db2.gz IDQRJPUISOJSLL-UHFFFAOYSA-N 1 1 347.463 0.781 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCc4nccn43)C2)nn1 ZINC001105259529 741581050 /nfs/dbraw/zinc/58/10/50/741581050.db2.gz CAEOYOIKYIGQKF-HNNXBMFYSA-N 1 1 341.419 0.711 20 30 ECEDMO C#CCC1(C(=O)N2CC(n3cc(C[NH2+]C[C@@H](C)OC)nn3)C2)CCC1 ZINC001105259842 741586686 /nfs/dbraw/zinc/58/66/86/741586686.db2.gz OGCYTYIGGJILHR-CQSZACIVSA-N 1 1 345.447 0.980 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264626 741595858 /nfs/dbraw/zinc/59/58/58/741595858.db2.gz NZTLAJNPQVAFTP-OAHLLOKOSA-N 1 1 330.436 0.259 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNc2ccnc(C#N)n2)C(C)(C)C)C1 ZINC001125934956 741638110 /nfs/dbraw/zinc/63/81/10/741638110.db2.gz ZOMSVWMAPNHQKW-CHWSQXEVSA-N 1 1 330.436 0.665 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3cn(CC)nn3)C2)nn1 ZINC001105289921 741650699 /nfs/dbraw/zinc/65/06/99/741650699.db2.gz KYCGTZALYFMEMT-UHFFFAOYSA-N 1 1 344.423 0.181 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1ccnc(C#N)n1 ZINC001105295685 741667906 /nfs/dbraw/zinc/66/79/06/741667906.db2.gz OOWGINSEUUXMHP-MGPQQGTHSA-N 1 1 330.436 0.663 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C2)nn1 ZINC001105297716 741675439 /nfs/dbraw/zinc/67/54/39/741675439.db2.gz UFKIRAYKJZRCFR-GFCCVEGCSA-N 1 1 348.451 0.488 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058730633 741762679 /nfs/dbraw/zinc/76/26/79/741762679.db2.gz CIHHNZAHEUFLSV-RKVPGOIHSA-N 1 1 339.480 0.866 20 30 ECEDMO CC1(C)C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470536 741775298 /nfs/dbraw/zinc/77/52/98/741775298.db2.gz AUGCWCJVWPEOKJ-STQMWFEESA-N 1 1 343.387 0.132 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470536 741775300 /nfs/dbraw/zinc/77/53/00/741775300.db2.gz AUGCWCJVWPEOKJ-STQMWFEESA-N 1 1 343.387 0.132 20 30 ECEDMO CN(C)c1noc(C[NH2+]C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001026788418 741831887 /nfs/dbraw/zinc/83/18/87/741831887.db2.gz IWQLEUZKAZPFQX-LLVKDONJSA-N 1 1 343.391 0.587 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974587365 741914540 /nfs/dbraw/zinc/91/45/40/741914540.db2.gz XXPBAGPPOFBSIN-ZFWWWQNUSA-N 1 1 343.431 0.613 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001026850283 741965202 /nfs/dbraw/zinc/96/52/02/741965202.db2.gz RIKZPZWTHLJWQT-MJBXVCDLSA-N 1 1 334.424 0.129 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974741701 742139712 /nfs/dbraw/zinc/13/97/12/742139712.db2.gz JKHKFQDRKCFDQH-STQMWFEESA-N 1 1 333.436 0.949 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cnc3ccc(OC)nn32)C(C)(C)C1 ZINC000974742792 742141130 /nfs/dbraw/zinc/14/11/30/742141130.db2.gz ONDCAUXWINYYJW-ZDUSSCGKSA-N 1 1 327.388 0.811 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc3ccc(OC)nn32)C(C)(C)C1 ZINC000974742792 742141133 /nfs/dbraw/zinc/14/11/33/742141133.db2.gz ONDCAUXWINYYJW-ZDUSSCGKSA-N 1 1 327.388 0.811 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000974788175 742190880 /nfs/dbraw/zinc/19/08/80/742190880.db2.gz DYJQVTOTBIOSDZ-HNNXBMFYSA-N 1 1 348.447 0.906 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3sccn3c2=O)C(C)(C)C1 ZINC000974813375 742206440 /nfs/dbraw/zinc/20/64/40/742206440.db2.gz QUJORTPWWIYYDJ-GFCCVEGCSA-N 1 1 330.413 0.829 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000974863228 742269536 /nfs/dbraw/zinc/26/95/36/742269536.db2.gz NBDSTXPOIGZACP-CQSZACIVSA-N 1 1 329.404 0.957 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974995656 742423548 /nfs/dbraw/zinc/42/35/48/742423548.db2.gz MVMYNWRMNWUWRX-CABCVRRESA-N 1 1 341.415 0.566 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)CC2(C)C)c1 ZINC000975008492 742444416 /nfs/dbraw/zinc/44/44/16/742444416.db2.gz ANFZDICPGMRZKJ-WFASDCNBSA-N 1 1 328.416 0.638 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)c1 ZINC000975008492 742444417 /nfs/dbraw/zinc/44/44/17/742444417.db2.gz ANFZDICPGMRZKJ-WFASDCNBSA-N 1 1 328.416 0.638 20 30 ECEDMO N#Cc1cc(C(=O)NCC[NH2+]Cc2cnn(-c3ccccc3)n2)c[nH]1 ZINC001125977604 742470320 /nfs/dbraw/zinc/47/03/20/742470320.db2.gz BCDVTMLEGLJHJR-UHFFFAOYSA-N 1 1 335.371 0.987 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000975198746 742592860 /nfs/dbraw/zinc/59/28/60/742592860.db2.gz ZLQGQDGZILVLAL-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](CCS(C)(=O)=O)C[C@]2(C)C1 ZINC000982236655 751746769 /nfs/dbraw/zinc/74/67/69/751746769.db2.gz MSTXFFKMVGZBPA-YUELXQCFSA-N 1 1 327.450 0.361 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CCS(C)(=O)=O)C[C@]2(C)C1 ZINC000982236655 751746775 /nfs/dbraw/zinc/74/67/75/751746775.db2.gz MSTXFFKMVGZBPA-YUELXQCFSA-N 1 1 327.450 0.361 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)c1nc2ccccc2o1 ZINC001125982255 742681678 /nfs/dbraw/zinc/68/16/78/742681678.db2.gz UHWARCAXCCJTKR-GFCCVEGCSA-N 1 1 328.372 0.734 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)s1 ZINC001027161231 742874821 /nfs/dbraw/zinc/87/48/21/742874821.db2.gz RSFVZOHKLPOPCD-LLVKDONJSA-N 1 1 330.417 0.919 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)s1 ZINC001027161232 742875445 /nfs/dbraw/zinc/87/54/45/742875445.db2.gz RSFVZOHKLPOPCD-NSHDSACASA-N 1 1 330.417 0.919 20 30 ECEDMO C=CCC[NH+]1CCN(C2CCC(NC(=O)Cn3cncn3)CC2)CC1 ZINC000996802272 742890857 /nfs/dbraw/zinc/89/08/57/742890857.db2.gz JPXVIZDFLRBWOO-UHFFFAOYSA-N 1 1 346.479 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cn(CC)cn3)C2)C1=O ZINC001028932264 742901990 /nfs/dbraw/zinc/90/19/90/742901990.db2.gz FLMLVKSVBKLKJN-ZBFHGGJFSA-N 1 1 345.447 0.742 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001028935389 742913470 /nfs/dbraw/zinc/91/34/70/742913470.db2.gz BPPADJNJDIEBAC-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC001028935485 742915612 /nfs/dbraw/zinc/91/56/12/742915612.db2.gz DQXMMWUJUDHAKA-XJKSGUPXSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)nc1 ZINC001028935519 742915732 /nfs/dbraw/zinc/91/57/32/742915732.db2.gz FXHLDBYSEQYVGL-CQSZACIVSA-N 1 1 326.400 0.393 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC001028935843 742916524 /nfs/dbraw/zinc/91/65/24/742916524.db2.gz MQJVAAQBGSFDOI-ZIAGYGMSSA-N 1 1 328.416 0.591 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001028939305 742931622 /nfs/dbraw/zinc/93/16/22/742931622.db2.gz KJTPODAAVUOGNW-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001006756206 751776841 /nfs/dbraw/zinc/77/68/41/751776841.db2.gz DFHZHDLQOLJTLZ-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001006756206 751776846 /nfs/dbraw/zinc/77/68/46/751776846.db2.gz DFHZHDLQOLJTLZ-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261951070 743090367 /nfs/dbraw/zinc/09/03/67/743090367.db2.gz HJVAZEYBEAZMEI-IUODEOHRSA-N 1 1 333.484 0.634 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1coc(-c2cccs2)n1 ZINC001125998662 743163053 /nfs/dbraw/zinc/16/30/53/743163053.db2.gz SLWYPNCTAXULHW-UHFFFAOYSA-N 1 1 346.412 0.748 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3nnnn3C)C2)c1 ZINC001020568587 751803021 /nfs/dbraw/zinc/80/30/21/751803021.db2.gz UZPQJPVECITMBD-LERXQTSPSA-N 1 1 325.376 0.198 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC000997102384 743238091 /nfs/dbraw/zinc/23/80/91/743238091.db2.gz RIKRDUUSYGWJSR-KRWDZBQOSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000975854279 743356608 /nfs/dbraw/zinc/35/66/08/743356608.db2.gz OPUKYOYVTLDQLQ-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000975854279 743356619 /nfs/dbraw/zinc/35/66/19/743356619.db2.gz OPUKYOYVTLDQLQ-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041982240 782543247 /nfs/dbraw/zinc/54/32/47/782543247.db2.gz KRVFRCKTAZPXKZ-GHMZBOCLSA-N 1 1 330.226 0.693 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041982240 782543256 /nfs/dbraw/zinc/54/32/56/782543256.db2.gz KRVFRCKTAZPXKZ-GHMZBOCLSA-N 1 1 330.226 0.693 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(C#N)nn1 ZINC001126472962 743405715 /nfs/dbraw/zinc/40/57/15/743405715.db2.gz ULSRPQWBVAVTFW-HNNXBMFYSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)COC)nn2)C1 ZINC001105380985 743439069 /nfs/dbraw/zinc/43/90/69/743439069.db2.gz KSLJTCGCJXOEPQ-STQMWFEESA-N 1 1 337.424 0.377 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)CC[N@H+]1C ZINC000988316713 751843405 /nfs/dbraw/zinc/84/34/05/751843405.db2.gz SAADTCNTNCWGSM-GBOPCIDUSA-N 1 1 343.431 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(OC)n2)C1 ZINC001059870711 751848885 /nfs/dbraw/zinc/84/88/85/751848885.db2.gz BVLSKICTQOMFLB-ZNMIVQPWSA-N 1 1 343.431 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(OC)n2)C1 ZINC001059870711 751848895 /nfs/dbraw/zinc/84/88/95/751848895.db2.gz BVLSKICTQOMFLB-ZNMIVQPWSA-N 1 1 343.431 0.950 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976323410 743814993 /nfs/dbraw/zinc/81/49/93/743814993.db2.gz MULLBYGDOTXTMM-DOCVPZNWSA-N 1 1 341.415 0.271 20 30 ECEDMO COc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CC(N)=O)C2)cc1C#N ZINC001027344215 743826836 /nfs/dbraw/zinc/82/68/36/743826836.db2.gz QHWLFAWPUIERDB-HNNXBMFYSA-N 1 1 344.415 0.865 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000976367454 743863271 /nfs/dbraw/zinc/86/32/71/743863271.db2.gz OICDTHWYDWAODX-MUYACECFSA-N 1 1 327.388 0.025 20 30 ECEDMO C[N@@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1)C1CCC1 ZINC000976368468 743863931 /nfs/dbraw/zinc/86/39/31/743863931.db2.gz WFFUMTSQCWKQEP-HALDLXJZSA-N 1 1 341.415 0.557 20 30 ECEDMO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@@H+](CC(=O)NC)CC1 ZINC000997979948 743914541 /nfs/dbraw/zinc/91/45/41/743914541.db2.gz ABMLDCWDYNVDHR-AWEZNQCLSA-N 1 1 331.420 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000998046243 743946455 /nfs/dbraw/zinc/94/64/55/743946455.db2.gz NUIMLLYUNSDFLO-GJZGRUSLSA-N 1 1 345.447 0.882 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000998046241 743946613 /nfs/dbraw/zinc/94/66/13/743946613.db2.gz NUIMLLYUNSDFLO-CABCVRRESA-N 1 1 345.447 0.882 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000998134176 743997779 /nfs/dbraw/zinc/99/77/79/743997779.db2.gz JAUWVSMRBYOEAH-KBPBESRZSA-N 1 1 336.436 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC000998141736 744001629 /nfs/dbraw/zinc/00/16/29/744001629.db2.gz YJHKVNYWAQGZDW-JKSUJKDBSA-N 1 1 344.463 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC000998141730 744001821 /nfs/dbraw/zinc/00/18/21/744001821.db2.gz YJHKVNYWAQGZDW-HZPDHXFCSA-N 1 1 344.463 0.962 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]nn2)CC[C@@H]1C(F)(F)F ZINC000998299045 744106460 /nfs/dbraw/zinc/10/64/60/744106460.db2.gz CIDAHYNUEUWTKW-NWDGAFQWSA-N 1 1 329.326 0.740 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001027410803 744217169 /nfs/dbraw/zinc/21/71/69/744217169.db2.gz ZKLZIOGYBCPLCJ-UONOGXRCSA-N 1 1 331.420 0.871 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000998555992 744225714 /nfs/dbraw/zinc/22/57/14/744225714.db2.gz KAZSTGUIMGGKMN-RUXDESIVSA-N 1 1 331.420 0.698 20 30 ECEDMO C[C@@H]([NH2+]C1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C ZINC000998603602 744250717 /nfs/dbraw/zinc/25/07/17/744250717.db2.gz JAKPZFKFZAPSTL-OIKLOGQESA-N 1 1 328.380 0.364 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@]2(C)CN(CC#N)C[C@@]2(C)C1 ZINC000982295668 751901984 /nfs/dbraw/zinc/90/19/84/751901984.db2.gz AEFKQIDYTSYWLT-NXHRZFHOSA-N 1 1 344.463 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC3(C)CC3)C[C@H]21 ZINC000976734759 744259450 /nfs/dbraw/zinc/25/94/50/744259450.db2.gz IECKXOVSBQDQDW-QSJFSLAZSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC3(C)CC3)C[C@H]21 ZINC000976734759 744259452 /nfs/dbraw/zinc/25/94/52/744259452.db2.gz IECKXOVSBQDQDW-QSJFSLAZSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@]34C[C@H]3CCC4)C[C@H]21 ZINC000976743364 744279396 /nfs/dbraw/zinc/27/93/96/744279396.db2.gz XFQKCSMDQRJPFG-XILPYWAXSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@]34C[C@H]3CCC4)C[C@H]21 ZINC000976743364 744279399 /nfs/dbraw/zinc/27/93/99/744279399.db2.gz XFQKCSMDQRJPFG-XILPYWAXSA-N 1 1 341.455 0.847 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000976755074 744290129 /nfs/dbraw/zinc/29/01/29/744290129.db2.gz IGRUCSATPGNXTJ-QMIVOQANSA-N 1 1 335.448 0.491 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000976755074 744290134 /nfs/dbraw/zinc/29/01/34/744290134.db2.gz IGRUCSATPGNXTJ-QMIVOQANSA-N 1 1 335.448 0.491 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nncn1C ZINC000998849636 744370966 /nfs/dbraw/zinc/37/09/66/744370966.db2.gz PDNNKUCELQFIIY-AAEUAGOBSA-N 1 1 327.392 0.970 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001027433566 744387725 /nfs/dbraw/zinc/38/77/25/744387725.db2.gz BGIKNWGCOFHPKE-AWEZNQCLSA-N 1 1 329.466 0.521 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2c[nH+]cc2C)cn1 ZINC000976847630 744412191 /nfs/dbraw/zinc/41/21/91/744412191.db2.gz KTAHDJGZONXFQP-VQFNDLOPSA-N 1 1 349.394 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnoc2C2CC2)C1 ZINC000998949781 744423386 /nfs/dbraw/zinc/42/33/86/744423386.db2.gz UVEJSXIGOIHCJJ-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnoc2C2CC2)C1 ZINC000998949781 744423388 /nfs/dbraw/zinc/42/33/88/744423388.db2.gz UVEJSXIGOIHCJJ-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC001027446271 744484300 /nfs/dbraw/zinc/48/43/00/744484300.db2.gz DVDSGQMRFUEEPC-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC001027446271 744484304 /nfs/dbraw/zinc/48/43/04/744484304.db2.gz DVDSGQMRFUEEPC-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2cnn(C)n2)C1 ZINC001027446390 744485834 /nfs/dbraw/zinc/48/58/34/744485834.db2.gz ITJIJSIRSLTUBV-IRXDYDNUSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2cnn(C)n2)C1 ZINC001027446390 744485837 /nfs/dbraw/zinc/48/58/37/744485837.db2.gz ITJIJSIRSLTUBV-IRXDYDNUSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccn(C)c2C)C1 ZINC000999222564 744575866 /nfs/dbraw/zinc/57/58/66/744575866.db2.gz HMHOWEUVJAVJTP-INIZCTEOSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccn(C)c2C)C1 ZINC000999222564 744575870 /nfs/dbraw/zinc/57/58/70/744575870.db2.gz HMHOWEUVJAVJTP-INIZCTEOSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2occc2C)C1 ZINC000999294175 744605222 /nfs/dbraw/zinc/60/52/22/744605222.db2.gz CIDDXOJJGXKANE-HNNXBMFYSA-N 1 1 329.400 0.555 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2occc2C)C1 ZINC000999294175 744605224 /nfs/dbraw/zinc/60/52/24/744605224.db2.gz CIDDXOJJGXKANE-HNNXBMFYSA-N 1 1 329.400 0.555 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3nnc(C)o3)C2)nn1 ZINC000999521885 744736783 /nfs/dbraw/zinc/73/67/83/744736783.db2.gz ALNNHWNKUXZHBJ-UHFFFAOYSA-N 1 1 331.380 0.548 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001149137039 751944250 /nfs/dbraw/zinc/94/42/50/751944250.db2.gz MCWPOOBZYAVGQE-JKSUJKDBSA-N 1 1 335.448 0.852 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001149137039 751944255 /nfs/dbraw/zinc/94/42/55/751944255.db2.gz MCWPOOBZYAVGQE-JKSUJKDBSA-N 1 1 335.448 0.852 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1 ZINC000977201773 744780932 /nfs/dbraw/zinc/78/09/32/744780932.db2.gz DOWXXADNTZYWCV-HVOFVXBASA-N 1 1 341.415 0.415 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC2(C)C)nn1 ZINC000977272488 744827650 /nfs/dbraw/zinc/82/76/50/744827650.db2.gz JOMYNUBSCOCSRB-UONOGXRCSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC2(C)C)nn1 ZINC000977272488 744827652 /nfs/dbraw/zinc/82/76/52/744827652.db2.gz JOMYNUBSCOCSRB-UONOGXRCSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C[C@@]2(C)C1 ZINC000982318002 751950376 /nfs/dbraw/zinc/95/03/76/751950376.db2.gz AMNACAWEFORFHF-DOPJRALCSA-N 1 1 345.447 0.903 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C(C)(C)C1 ZINC000977315538 744857756 /nfs/dbraw/zinc/85/77/56/744857756.db2.gz DKPKSKYGVQSCSY-ZDUSSCGKSA-N 1 1 329.404 0.957 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000977320013 744864934 /nfs/dbraw/zinc/86/49/34/744864934.db2.gz UYJQWDSAQHGKDY-VMBJYNEYSA-N 1 1 334.420 0.377 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000977325077 744868640 /nfs/dbraw/zinc/86/86/40/744868640.db2.gz JAGLAOPZAHYDQR-OLZOCXBDSA-N 1 1 329.466 0.423 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cccnc2C)C1 ZINC000999830746 744927078 /nfs/dbraw/zinc/92/70/78/744927078.db2.gz ZUPJGDOBWINQPY-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cccnc2C)C1 ZINC000999830746 744927080 /nfs/dbraw/zinc/92/70/80/744927080.db2.gz ZUPJGDOBWINQPY-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cncs1 ZINC000977428977 744983421 /nfs/dbraw/zinc/98/34/21/744983421.db2.gz BIUBCONERLLLMD-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cncs1 ZINC000977428977 744983425 /nfs/dbraw/zinc/98/34/25/744983425.db2.gz BIUBCONERLLLMD-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC000999891626 745018890 /nfs/dbraw/zinc/01/88/90/745018890.db2.gz NVMOHXGTDXUWQZ-WBMJQRKESA-N 1 1 326.400 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC000977470782 745060315 /nfs/dbraw/zinc/06/03/15/745060315.db2.gz BNLUMUDKCCUQRZ-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999960086 745101684 /nfs/dbraw/zinc/10/16/84/745101684.db2.gz BMGLPOZSFDANOD-HOTGVXAUSA-N 1 1 332.452 0.811 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999960086 745101685 /nfs/dbraw/zinc/10/16/85/745101685.db2.gz BMGLPOZSFDANOD-HOTGVXAUSA-N 1 1 332.452 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(F)nc3)nn2)C1 ZINC000999961712 745103768 /nfs/dbraw/zinc/10/37/68/745103768.db2.gz IVYCYGHFMXBCKM-AWEZNQCLSA-N 1 1 328.351 0.622 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(CC)n[nH]3)nn2)C1 ZINC000999964858 745109494 /nfs/dbraw/zinc/10/94/94/745109494.db2.gz GAQOBBZPXLLJOR-CQSZACIVSA-N 1 1 329.408 0.926 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3snnc3C)nn2)C1 ZINC000999969841 745115893 /nfs/dbraw/zinc/11/58/93/745115893.db2.gz ZDAZRELFENGVQN-GFCCVEGCSA-N 1 1 333.421 0.801 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC000999972182 745120712 /nfs/dbraw/zinc/12/07/12/745120712.db2.gz UDVLEXGGEDNHIL-CQSZACIVSA-N 1 1 327.392 0.212 20 30 ECEDMO N#Cc1ccc(C(=O)NCc2cn([C@H]3CC[N@@H+](CCF)C3)nn2)[nH]1 ZINC000999977185 745126276 /nfs/dbraw/zinc/12/62/76/745126276.db2.gz ANZYANCBWUFICP-ZDUSSCGKSA-N 1 1 331.355 0.624 20 30 ECEDMO N#Cc1ccc(C(=O)NCc2cn([C@H]3CC[N@H+](CCF)C3)nn2)[nH]1 ZINC000999977185 745126278 /nfs/dbraw/zinc/12/62/78/745126278.db2.gz ANZYANCBWUFICP-ZDUSSCGKSA-N 1 1 331.355 0.624 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3nccc(C)n3)nn2)C1 ZINC000999984344 745137017 /nfs/dbraw/zinc/13/70/17/745137017.db2.gz LMFYHXOTPIYLDI-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(=O)NC)nc2)C(C)(C)C1 ZINC000977516668 745138008 /nfs/dbraw/zinc/13/80/08/745138008.db2.gz RTTTZPRYKWHPRF-OAHLLOKOSA-N 1 1 328.416 0.905 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(=O)NC)nc2)C(C)(C)C1 ZINC000977516668 745138011 /nfs/dbraw/zinc/13/80/11/745138011.db2.gz RTTTZPRYKWHPRF-OAHLLOKOSA-N 1 1 328.416 0.905 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC(=O)N(C)C3)nn2)C1 ZINC000999986668 745141108 /nfs/dbraw/zinc/14/11/08/745141108.db2.gz JVBQTJRICQFOJE-UKRRQHHQSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc[nH]c3=O)nn2)C1 ZINC000999996266 745155430 /nfs/dbraw/zinc/15/54/30/745155430.db2.gz IXPQFERAVLPFSO-GFCCVEGCSA-N 1 1 329.364 0.137 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(OCC)no3)nn2)C1 ZINC001000003126 745167747 /nfs/dbraw/zinc/16/77/47/745167747.db2.gz VEDVWKGTMSRWCA-ZDUSSCGKSA-N 1 1 344.375 0.475 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC(=O)NC3)nn2)C1 ZINC001000003513 745168270 /nfs/dbraw/zinc/16/82/70/745168270.db2.gz QDUKBPUVNMUUIW-ZFWWWQNUSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3csc(C)n3)nn2)C1 ZINC001000007272 745175030 /nfs/dbraw/zinc/17/50/30/745175030.db2.gz BYXODBKMBHZFQR-CYBMUJFWSA-N 1 1 330.417 0.853 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCN(C)C3=O)nn2)C1 ZINC001000008635 745176031 /nfs/dbraw/zinc/17/60/31/745176031.db2.gz JNKYPXHUQACZFR-HUUCEWRRSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(CCC)n[nH]3)nn2)C1 ZINC001000011756 745180171 /nfs/dbraw/zinc/18/01/71/745180171.db2.gz XQEPHIYYTWALLN-OAHLLOKOSA-N 1 1 341.419 0.764 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]nc3C)nn2)C1 ZINC001000018989 745188793 /nfs/dbraw/zinc/18/87/93/745188793.db2.gz RLOIFZJFKDGRGR-AWEZNQCLSA-N 1 1 327.392 0.510 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)c(=O)[nH]3)nn2)C1 ZINC001000018949 745188861 /nfs/dbraw/zinc/18/88/61/745188861.db2.gz BVSLQYDSUDTTDT-ZDUSSCGKSA-N 1 1 345.407 0.470 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)C3=NC(=O)N(C)C3)nn2)C1 ZINC001000018949 745188864 /nfs/dbraw/zinc/18/88/64/745188864.db2.gz BVSLQYDSUDTTDT-ZDUSSCGKSA-N 1 1 345.407 0.470 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)C3=NC(=O)N(C)C3)nn2)C1 ZINC001000018949 745188865 /nfs/dbraw/zinc/18/88/65/745188865.db2.gz BVSLQYDSUDTTDT-ZDUSSCGKSA-N 1 1 345.407 0.470 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001000023357 745194399 /nfs/dbraw/zinc/19/43/99/745194399.db2.gz ZQDAERSKGHNAKT-KFWWJZLASA-N 1 1 344.415 0.679 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001000023355 745194615 /nfs/dbraw/zinc/19/46/15/745194615.db2.gz ZQDAERSKGHNAKT-ILXRZTDVSA-N 1 1 344.415 0.679 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCCC(=O)N3)nn2)C1 ZINC001000025532 745196720 /nfs/dbraw/zinc/19/67/20/745196720.db2.gz QOTWAGVJOHEYQF-CABCVRRESA-N 1 1 346.435 0.386 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cn([C@@H]3CC[N@@H+](CCF)C3)nn2)nn1 ZINC001000029091 745202536 /nfs/dbraw/zinc/20/25/36/745202536.db2.gz GBIJWWJDTSBFJG-CYBMUJFWSA-N 1 1 348.386 0.202 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cn([C@@H]3CC[N@H+](CCF)C3)nn2)nn1 ZINC001000029091 745202540 /nfs/dbraw/zinc/20/25/40/745202540.db2.gz GBIJWWJDTSBFJG-CYBMUJFWSA-N 1 1 348.386 0.202 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@@H]3CC[N@@H+](CCF)C3)nn2)cn1 ZINC001000035510 745211079 /nfs/dbraw/zinc/21/10/79/745211079.db2.gz OFCCKZJZRKMGKQ-MRXNPFEDSA-N 1 1 342.378 0.801 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@@H]3CC[N@H+](CCF)C3)nn2)cn1 ZINC001000035510 745211084 /nfs/dbraw/zinc/21/10/84/745211084.db2.gz OFCCKZJZRKMGKQ-MRXNPFEDSA-N 1 1 342.378 0.801 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001000035773 745212003 /nfs/dbraw/zinc/21/20/03/745212003.db2.gz MEGFOQNATLXBIA-CQSZACIVSA-N 1 1 327.392 0.821 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)C2)nn1 ZINC001098697165 745216437 /nfs/dbraw/zinc/21/64/37/745216437.db2.gz CASISYIXCQZABC-TZMCWYRMSA-N 1 1 334.424 0.229 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]cnc3CC)nn2)C1 ZINC001000042606 745222013 /nfs/dbraw/zinc/22/20/13/745222013.db2.gz FTNSSBQRQNRYQO-CQSZACIVSA-N 1 1 341.419 0.764 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC000977586008 745246234 /nfs/dbraw/zinc/24/62/34/745246234.db2.gz UMNJKMNDAPMIQB-HNNXBMFYSA-N 1 1 340.387 0.764 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2nc3nccc(C)n3n2)C(C)(C)C1 ZINC000977587253 745247910 /nfs/dbraw/zinc/24/79/10/745247910.db2.gz OSJKMGHGGSZCSI-ZDUSSCGKSA-N 1 1 326.404 0.896 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2nc3nccc(C)n3n2)C(C)(C)C1 ZINC000977587253 745247915 /nfs/dbraw/zinc/24/79/15/745247915.db2.gz OSJKMGHGGSZCSI-ZDUSSCGKSA-N 1 1 326.404 0.896 20 30 ECEDMO COCC(=O)N1CCC([C@H]2[N@@H+](CC(=O)NCC#N)CC23CCC3)CC1 ZINC001105384568 745253462 /nfs/dbraw/zinc/25/34/62/745253462.db2.gz JUKAECVYEPNZMV-QGZVFWFLSA-N 1 1 348.447 0.366 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059235413 745302556 /nfs/dbraw/zinc/30/25/56/745302556.db2.gz YCKDMHSQEPVXFF-OBJOEFQTSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059235413 745302561 /nfs/dbraw/zinc/30/25/61/745302561.db2.gz YCKDMHSQEPVXFF-OBJOEFQTSA-N 1 1 330.392 0.128 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cn(CC)cn2)C1=O ZINC001028263928 751994708 /nfs/dbraw/zinc/99/47/08/751994708.db2.gz AHZYBKZTGCYJSI-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cn(CC)cn2)C1=O ZINC001028263928 751994713 /nfs/dbraw/zinc/99/47/13/751994713.db2.gz AHZYBKZTGCYJSI-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027551063 745389355 /nfs/dbraw/zinc/38/93/55/745389355.db2.gz HRVIHULQHNUCRF-FZMZJTMJSA-N 1 1 347.444 0.724 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC000977731333 745448638 /nfs/dbraw/zinc/44/86/38/745448638.db2.gz JIZTYRBYUBNLQQ-ZFWWWQNUSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3cn(CC)nn3)C2)nn1 ZINC001000405659 745478801 /nfs/dbraw/zinc/47/88/01/745478801.db2.gz SZICOHIHMWSNFR-CYBMUJFWSA-N 1 1 344.423 0.470 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3ccn[nH]3)CC2)C1=O ZINC001000470030 745525286 /nfs/dbraw/zinc/52/52/86/745525286.db2.gz MWKPHYFKRSEHOH-HNNXBMFYSA-N 1 1 329.404 0.559 20 30 ECEDMO Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413888 745530838 /nfs/dbraw/zinc/53/08/38/745530838.db2.gz BHNLQOALGFMSFV-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413888 745530842 /nfs/dbraw/zinc/53/08/42/745530842.db2.gz BHNLQOALGFMSFV-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1(CF)CC1 ZINC000977919376 745646866 /nfs/dbraw/zinc/64/68/66/745646866.db2.gz NAAQCOLGYGRKGM-CABCVRRESA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1(CF)CC1 ZINC000977919376 745646867 /nfs/dbraw/zinc/64/68/67/745646867.db2.gz NAAQCOLGYGRKGM-CABCVRRESA-N 1 1 335.423 0.893 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCC(=O)N1 ZINC001028269165 752017752 /nfs/dbraw/zinc/01/77/52/752017752.db2.gz HPRHLTPYWPVNRS-IRXDYDNUSA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCC(=O)N1 ZINC001028269165 752017756 /nfs/dbraw/zinc/01/77/56/752017756.db2.gz HPRHLTPYWPVNRS-IRXDYDNUSA-N 1 1 325.412 0.897 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC=C(CNC(=O)[C@H]3COC(=O)N3)CC2)c1 ZINC001000641440 745657138 /nfs/dbraw/zinc/65/71/38/745657138.db2.gz ZBZBOAUPTHEZLG-MRXNPFEDSA-N 1 1 340.383 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CCCO1 ZINC000977927219 745681191 /nfs/dbraw/zinc/68/11/91/745681191.db2.gz LIFDIKDCXWOFPG-JYJNAYRXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CCCO1 ZINC000977927219 745681196 /nfs/dbraw/zinc/68/11/96/745681196.db2.gz LIFDIKDCXWOFPG-JYJNAYRXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001028270567 752023896 /nfs/dbraw/zinc/02/38/96/752023896.db2.gz NSTGSODGIXNSFN-OLZOCXBDSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001028270567 752023898 /nfs/dbraw/zinc/02/38/98/752023898.db2.gz NSTGSODGIXNSFN-OLZOCXBDSA-N 1 1 330.388 0.162 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)c1cc(C[NH+](C)C)on1 ZINC000977944124 745695069 /nfs/dbraw/zinc/69/50/69/745695069.db2.gz JERLJBXNAKRNGG-CQSZACIVSA-N 1 1 344.415 0.823 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001000683457 745695712 /nfs/dbraw/zinc/69/57/12/745695712.db2.gz SVXBMMOXTVDNCL-HNNXBMFYSA-N 1 1 341.415 0.534 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ncccc1C#N ZINC001126522896 745713280 /nfs/dbraw/zinc/71/32/80/745713280.db2.gz FUAUVOLNJVSHHI-GOEBONIOSA-N 1 1 345.447 0.720 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N(C)C ZINC001028271105 752029384 /nfs/dbraw/zinc/02/93/84/752029384.db2.gz YSBVJQRMDYDAIH-AWEZNQCLSA-N 1 1 344.415 0.376 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC001028271105 752029389 /nfs/dbraw/zinc/02/93/89/752029389.db2.gz YSBVJQRMDYDAIH-AWEZNQCLSA-N 1 1 344.415 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnc(C)cn2)C1 ZINC001000769625 745753670 /nfs/dbraw/zinc/75/36/70/745753670.db2.gz OJRXXNVAQWBNFI-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnc(C)cn2)C1 ZINC001000769625 745753675 /nfs/dbraw/zinc/75/36/75/745753675.db2.gz OJRXXNVAQWBNFI-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCOC1 ZINC001029342247 745758064 /nfs/dbraw/zinc/75/80/64/745758064.db2.gz FCTKBJHGAFDIRE-BDXSIMOUSA-N 1 1 331.460 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nonc1C ZINC001029342497 745758769 /nfs/dbraw/zinc/75/87/69/745758769.db2.gz RFQQYUATRLNIII-UXLLHSPISA-N 1 1 343.431 0.651 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nonc1C ZINC001029342497 745758771 /nfs/dbraw/zinc/75/87/71/745758771.db2.gz RFQQYUATRLNIII-UXLLHSPISA-N 1 1 343.431 0.651 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001075806630 745794062 /nfs/dbraw/zinc/79/40/62/745794062.db2.gz WFCFWRZZPJDJNA-HZMVEIRTSA-N 1 1 347.459 0.733 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001075806630 745794065 /nfs/dbraw/zinc/79/40/65/745794065.db2.gz WFCFWRZZPJDJNA-HZMVEIRTSA-N 1 1 347.459 0.733 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)c[nH]1 ZINC000978031174 745832431 /nfs/dbraw/zinc/83/24/31/745832431.db2.gz WCCHQOTYOXRWFM-XQLPTFJDSA-N 1 1 327.388 0.073 20 30 ECEDMO Cc1nnc([C@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)[nH]1 ZINC000978063614 745846408 /nfs/dbraw/zinc/84/64/08/745846408.db2.gz ORVDJRSTLPCYIA-WHLNNUNGSA-N 1 1 339.403 0.982 20 30 ECEDMO Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)[nH]1 ZINC000978063614 745846415 /nfs/dbraw/zinc/84/64/15/745846415.db2.gz ORVDJRSTLPCYIA-WHLNNUNGSA-N 1 1 339.403 0.982 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC000978117829 745927948 /nfs/dbraw/zinc/92/79/48/745927948.db2.gz VOCQROIOWNWBRO-LVQVYYBASA-N 1 1 340.383 0.461 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC001000998401 745963701 /nfs/dbraw/zinc/96/37/01/745963701.db2.gz DMDKXVAGYQYJAY-DLBZAZTESA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000984160156 745967171 /nfs/dbraw/zinc/96/71/71/745967171.db2.gz FAQPPSBQUQKKLQ-GJZGRUSLSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000984160156 745967175 /nfs/dbraw/zinc/96/71/75/745967175.db2.gz FAQPPSBQUQKKLQ-GJZGRUSLSA-N 1 1 343.431 0.570 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC000978128639 745968591 /nfs/dbraw/zinc/96/85/91/745968591.db2.gz JSNHZKCZOZHQLW-QCEMKRCNSA-N 1 1 343.431 0.633 20 30 ECEDMO Cn1cnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1 ZINC000978167030 745979476 /nfs/dbraw/zinc/97/94/76/745979476.db2.gz CXQSLBADHVOSBW-PHZGNYQRSA-N 1 1 336.399 0.795 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3CNC(=O)N3)CC2)c1 ZINC001001100144 746075446 /nfs/dbraw/zinc/07/54/46/746075446.db2.gz NJCWANIDJINGHC-INIZCTEOSA-N 1 1 339.399 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000982366559 752058722 /nfs/dbraw/zinc/05/87/22/752058722.db2.gz MQYMBZKFRPDZQX-RDJZCZTQSA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000982366559 752058724 /nfs/dbraw/zinc/05/87/24/752058724.db2.gz MQYMBZKFRPDZQX-RDJZCZTQSA-N 1 1 340.427 0.758 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)[C@H]1CC ZINC001087630043 746131637 /nfs/dbraw/zinc/13/16/37/746131637.db2.gz RGVHCSZASIFAGV-HZSPNIEDSA-N 1 1 331.420 0.539 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]([N@H+](C)[C@H](C)C(N)=O)C2)nn1 ZINC001027608102 746188174 /nfs/dbraw/zinc/18/81/74/746188174.db2.gz CVKLISCTKZJCHL-OLZOCXBDSA-N 1 1 334.424 0.264 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087689397 746193906 /nfs/dbraw/zinc/19/39/06/746193906.db2.gz AFOOIVAXJZWVDK-LSDHHAIUSA-N 1 1 339.403 0.865 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccccc1C#N ZINC001087689397 746193911 /nfs/dbraw/zinc/19/39/11/746193911.db2.gz AFOOIVAXJZWVDK-LSDHHAIUSA-N 1 1 339.403 0.865 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@@H+]([C@H](CC)C(N)=O)CC2)nn1 ZINC001001247038 746205183 /nfs/dbraw/zinc/20/51/83/746205183.db2.gz FGEFJHPWFFSTIY-OAHLLOKOSA-N 1 1 346.435 0.480 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3nc(C)c[nH]3)CC2)C1=O ZINC001001247033 746205242 /nfs/dbraw/zinc/20/52/42/746205242.db2.gz FEXDEHZZLJTXOU-OAHLLOKOSA-N 1 1 343.431 0.867 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2ccc3n[nH]c(=O)n3c2)CC1 ZINC001001263474 746224098 /nfs/dbraw/zinc/22/40/98/746224098.db2.gz LOJMCHURYQTHFQ-UHFFFAOYSA-N 1 1 325.372 0.820 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000984299001 746250284 /nfs/dbraw/zinc/25/02/84/746250284.db2.gz DFCFGHRXGRKRHG-YESZJQIVSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000984299001 746250288 /nfs/dbraw/zinc/25/02/88/746250288.db2.gz DFCFGHRXGRKRHG-YESZJQIVSA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001007084669 752076033 /nfs/dbraw/zinc/07/60/33/752076033.db2.gz INPYWHVBALGKOM-HUUCEWRRSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001007084669 752076039 /nfs/dbraw/zinc/07/60/39/752076039.db2.gz INPYWHVBALGKOM-HUUCEWRRSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H]2CC)nn1 ZINC001087754205 746286318 /nfs/dbraw/zinc/28/63/18/746286318.db2.gz TTZFLCKUMQOCHS-DZGCQCFKSA-N 1 1 344.423 0.339 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1nocc1C ZINC000978411554 746302790 /nfs/dbraw/zinc/30/27/90/746302790.db2.gz PBAOZFGKIRDXSI-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1nocc1C ZINC000978411554 746302795 /nfs/dbraw/zinc/30/27/95/746302795.db2.gz PBAOZFGKIRDXSI-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cccnn3)[C@H]2CC)C1=O ZINC001087770651 746309133 /nfs/dbraw/zinc/30/91/33/746309133.db2.gz QMGBZGMEMQBXNZ-IMJJTQAJSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cccnn3)[C@H]2CC)C1=O ZINC001087770651 746309137 /nfs/dbraw/zinc/30/91/37/746309137.db2.gz QMGBZGMEMQBXNZ-IMJJTQAJSA-N 1 1 343.431 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC000984353772 746324481 /nfs/dbraw/zinc/32/44/81/746324481.db2.gz ZGVAFRIRZRTJGO-HOTGVXAUSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC000984353772 746324487 /nfs/dbraw/zinc/32/44/87/746324487.db2.gz ZGVAFRIRZRTJGO-HOTGVXAUSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC000984349947 746331391 /nfs/dbraw/zinc/33/13/91/746331391.db2.gz KANMVZNKSKJECZ-CABCVRRESA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC000984349947 746331394 /nfs/dbraw/zinc/33/13/94/746331394.db2.gz KANMVZNKSKJECZ-CABCVRRESA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000978520730 746382293 /nfs/dbraw/zinc/38/22/93/746382293.db2.gz RIVNXXDJZBIOCI-UAGQMJEPSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000978520730 746382299 /nfs/dbraw/zinc/38/22/99/746382299.db2.gz RIVNXXDJZBIOCI-UAGQMJEPSA-N 1 1 347.459 0.522 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001509078 746447285 /nfs/dbraw/zinc/44/72/85/746447285.db2.gz MXHBFXAFMUXFIC-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@H]32)c(F)c1 ZINC001041986667 782552397 /nfs/dbraw/zinc/55/23/97/782552397.db2.gz SIHKDYCIHAFOJC-CZUORRHYSA-N 1 1 344.390 0.996 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4cnn(C)c4C3)[C@@H]2C1 ZINC000978634258 746508571 /nfs/dbraw/zinc/50/85/71/746508571.db2.gz YOIXVXWWXCZZGB-DZUCGIPZSA-N 1 1 326.444 0.842 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4conc4C)[C@@H]3C2)C1=O ZINC000978653131 746562407 /nfs/dbraw/zinc/56/24/07/746562407.db2.gz MDPTVWMWTPNTAF-HGTKMLMNSA-N 1 1 344.415 0.678 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC001027653841 746569911 /nfs/dbraw/zinc/56/99/11/746569911.db2.gz INRTVVGDSAMHBP-ZIAGYGMSSA-N 1 1 344.415 0.504 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)nc1 ZINC001027656354 746596840 /nfs/dbraw/zinc/59/68/40/746596840.db2.gz NWOZGBYEIQOQEU-MRXNPFEDSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)nc1 ZINC001027656354 746596842 /nfs/dbraw/zinc/59/68/42/746596842.db2.gz NWOZGBYEIQOQEU-MRXNPFEDSA-N 1 1 340.427 0.832 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1 ZINC001001693425 746606627 /nfs/dbraw/zinc/60/66/27/746606627.db2.gz AURLJMVCHJUETF-OJLVUWQFSA-N 1 1 341.415 0.842 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC000978737981 746633205 /nfs/dbraw/zinc/63/32/05/746633205.db2.gz HHRUOSSWIBJOGK-YHUYYLMFSA-N 1 1 344.463 0.886 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059397775 746635694 /nfs/dbraw/zinc/63/56/94/746635694.db2.gz YNRWJXGDLMKGFS-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059397775 746635696 /nfs/dbraw/zinc/63/56/96/746635696.db2.gz YNRWJXGDLMKGFS-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)C1=O ZINC001087938944 746688858 /nfs/dbraw/zinc/68/88/58/746688858.db2.gz SELORHWSXNNHDZ-DVOMOZLQSA-N 1 1 341.415 0.511 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087938745 746688877 /nfs/dbraw/zinc/68/88/77/746688877.db2.gz JJERKUAPYAXMBE-XUJVJEKNSA-N 1 1 329.404 0.544 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001027673173 746735506 /nfs/dbraw/zinc/73/55/06/746735506.db2.gz DYOXTIBBJBJKJK-VXGBXAGGSA-N 1 1 342.827 0.650 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001027673173 746735511 /nfs/dbraw/zinc/73/55/11/746735511.db2.gz DYOXTIBBJBJKJK-VXGBXAGGSA-N 1 1 342.827 0.650 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](O)Cn3cccn3)C2)c[nH]1 ZINC001007141855 752118440 /nfs/dbraw/zinc/11/84/40/752118440.db2.gz WOKASCNIXKTIHE-GDBMZVCRSA-N 1 1 342.403 0.338 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)CSCC#N ZINC001211886802 746745493 /nfs/dbraw/zinc/74/54/93/746745493.db2.gz ZXNIKTDIHWZLKB-ZIAGYGMSSA-N 1 1 327.450 0.628 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)CSCC#N ZINC001211886802 746745497 /nfs/dbraw/zinc/74/54/97/746745497.db2.gz ZXNIKTDIHWZLKB-ZIAGYGMSSA-N 1 1 327.450 0.628 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC000978823390 746751742 /nfs/dbraw/zinc/75/17/42/746751742.db2.gz JEHKFXIOZWNPMP-TUVASFSCSA-N 1 1 326.462 0.681 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3cn[nH]c3)C2)nn1 ZINC001105340640 746756418 /nfs/dbraw/zinc/75/64/18/746756418.db2.gz ISJRVTWIZQGPGZ-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001001891472 746788975 /nfs/dbraw/zinc/78/89/75/746788975.db2.gz VMCQAWUCGFXNKC-INIZCTEOSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccncn4)[C@@H]3C2)C1=O ZINC000978868307 746818423 /nfs/dbraw/zinc/81/84/23/746818423.db2.gz OYTUKHRNABQLPZ-AYDFFVQHSA-N 1 1 341.415 0.171 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@@H]2C1 ZINC001087984517 746830811 /nfs/dbraw/zinc/83/08/11/746830811.db2.gz FGJOKNKEUWLMKP-ZNMIVQPWSA-N 1 1 331.416 0.328 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)COc2cccc(C(N)=O)c2)C1 ZINC001027692272 746849047 /nfs/dbraw/zinc/84/90/47/746849047.db2.gz DOOFCVCXQHDQLX-HNNXBMFYSA-N 1 1 329.400 0.720 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001001966475 746850705 /nfs/dbraw/zinc/85/07/05/746850705.db2.gz IBHPLIGVGUZIGB-OAHLLOKOSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978907558 746868629 /nfs/dbraw/zinc/86/86/29/746868629.db2.gz SGGNBVNYQDCEHS-TUVASFSCSA-N 1 1 331.420 0.408 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001029481803 746902100 /nfs/dbraw/zinc/90/21/00/746902100.db2.gz IDMJUBMAEJKWLJ-QXSJWSMHSA-N 1 1 331.420 0.544 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001029481803 746902111 /nfs/dbraw/zinc/90/21/11/746902111.db2.gz IDMJUBMAEJKWLJ-QXSJWSMHSA-N 1 1 331.420 0.544 20 30 ECEDMO CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCO1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262293293 746927344 /nfs/dbraw/zinc/92/73/44/746927344.db2.gz LSCFOXZKIFBVGR-CVEARBPZSA-N 1 1 349.479 0.145 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC000978954730 746950299 /nfs/dbraw/zinc/95/02/99/746950299.db2.gz XILIPDZVJPMLOQ-VMNICZJSSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC000978954730 746950302 /nfs/dbraw/zinc/95/03/02/746950302.db2.gz XILIPDZVJPMLOQ-VMNICZJSSA-N 1 1 347.459 0.520 20 30 ECEDMO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001059445656 746974892 /nfs/dbraw/zinc/97/48/92/746974892.db2.gz ANBDQKWWOLMIFK-ABHRYQDASA-N 1 1 342.403 0.271 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 ZINC001087997364 746979160 /nfs/dbraw/zinc/97/91/60/746979160.db2.gz BBTOINLRBSFROW-RDBSUJKOSA-N 1 1 334.420 0.331 20 30 ECEDMO N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001059446484 746983351 /nfs/dbraw/zinc/98/33/51/746983351.db2.gz WZVMQVASFKNCLF-YHUYYLMFSA-N 1 1 341.415 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCc4ccnn4C)C[C@H]32)nc1 ZINC000978993891 747008149 /nfs/dbraw/zinc/00/81/49/747008149.db2.gz RHBIJNNNQJRBCW-NNZMDNLPSA-N 1 1 349.438 0.947 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]2C1 ZINC001088015869 747063819 /nfs/dbraw/zinc/06/38/19/747063819.db2.gz CGOPIMNXAOIRTK-CABCVRRESA-N 1 1 336.395 0.722 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc4nccc(C)n4n3)[C@@H]2C1 ZINC000979031052 747078664 /nfs/dbraw/zinc/07/86/64/747078664.db2.gz VZYRCZWWXYWSMQ-ZSOGYDGISA-N 1 1 326.404 0.916 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@@H]2C1 ZINC001088022643 747086897 /nfs/dbraw/zinc/08/68/97/747086897.db2.gz SZNDBDOYSWIDOJ-KGLIPLIRSA-N 1 1 340.387 0.347 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088031901 747112587 /nfs/dbraw/zinc/11/25/87/747112587.db2.gz RILMRMOTUNIRSU-XHSDSOJGSA-N 1 1 338.473 0.615 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088031901 747112589 /nfs/dbraw/zinc/11/25/89/747112589.db2.gz RILMRMOTUNIRSU-XHSDSOJGSA-N 1 1 338.473 0.615 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)cc1 ZINC001088061847 747176540 /nfs/dbraw/zinc/17/65/40/747176540.db2.gz BETHNVDUGZAKKP-SQNIBIBYSA-N 1 1 337.423 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)cc1 ZINC001088061846 747176869 /nfs/dbraw/zinc/17/68/69/747176869.db2.gz BETHNVDUGZAKKP-FGTMMUONSA-N 1 1 337.423 0.950 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nnc(C)n4C3)[C@@H]2C1 ZINC000979100083 747177238 /nfs/dbraw/zinc/17/72/38/747177238.db2.gz HZPSFSCSQWDNMU-YHUYYLMFSA-N 1 1 327.432 0.466 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccnc(-n4cncn4)c3)[C@@H]2C1 ZINC000979102076 747180811 /nfs/dbraw/zinc/18/08/11/747180811.db2.gz FENZLFGRQBABNS-PHZGNYQRSA-N 1 1 336.399 0.593 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2nc(C)cc(C#N)n2)C1 ZINC001105409381 747421352 /nfs/dbraw/zinc/42/13/52/747421352.db2.gz FRTUJEAEICNEJY-OAHLLOKOSA-N 1 1 346.435 0.272 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2nc(C)cc(C#N)n2)C1 ZINC001105409381 747421360 /nfs/dbraw/zinc/42/13/60/747421360.db2.gz FRTUJEAEICNEJY-OAHLLOKOSA-N 1 1 346.435 0.272 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]2C1 ZINC001088122921 747435271 /nfs/dbraw/zinc/43/52/71/747435271.db2.gz WLHKMRKDNUNDHV-WOPDTQHZSA-N 1 1 340.811 0.117 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]2C1 ZINC001088122921 747435274 /nfs/dbraw/zinc/43/52/74/747435274.db2.gz WLHKMRKDNUNDHV-WOPDTQHZSA-N 1 1 340.811 0.117 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029557351 747489326 /nfs/dbraw/zinc/48/93/26/747489326.db2.gz MEHLQLKPMSRBKI-GASCZTMLSA-N 1 1 329.400 0.765 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088142569 747496681 /nfs/dbraw/zinc/49/66/81/747496681.db2.gz RLLPFFOLUSHBLT-NEPJUHHUSA-N 1 1 340.811 0.071 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088142569 747496684 /nfs/dbraw/zinc/49/66/84/747496684.db2.gz RLLPFFOLUSHBLT-NEPJUHHUSA-N 1 1 340.811 0.071 20 30 ECEDMO C[C@H]([NH2+]Cc1cnn(C)n1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979285941 747536584 /nfs/dbraw/zinc/53/65/84/747536584.db2.gz CFORYSDYZSJFOY-XHDPSFHLSA-N 1 1 343.391 0.034 20 30 ECEDMO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)[nH]1 ZINC000979288405 747540892 /nfs/dbraw/zinc/54/08/92/747540892.db2.gz FWEIDLCBVJAHCH-HZMBPMFUSA-N 1 1 343.391 0.332 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)nn1 ZINC001105342573 747579380 /nfs/dbraw/zinc/57/93/80/747579380.db2.gz LLNXCTJVACPQBU-DOTOQJQBSA-N 1 1 344.463 0.954 20 30 ECEDMO CCCn1ncnc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979337994 747637143 /nfs/dbraw/zinc/63/71/43/747637143.db2.gz SQDGFSMWOZSUEL-GOEBONIOSA-N 1 1 345.447 0.807 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3ccon3)CC2)C1=O ZINC000985299025 747656894 /nfs/dbraw/zinc/65/68/94/747656894.db2.gz JLGKQJHPHJIYGO-OAHLLOKOSA-N 1 1 332.404 0.998 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H]([C@H](C)[NH2+]Cc3ncnn3C)C2)C1 ZINC000979379005 747706221 /nfs/dbraw/zinc/70/62/21/747706221.db2.gz NYHIDXPSESAONG-KBPBESRZSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]Cc3ncnn3C)C2)C1 ZINC000979379009 747706382 /nfs/dbraw/zinc/70/63/82/747706382.db2.gz NYHIDXPSESAONG-UONOGXRCSA-N 1 1 333.436 0.877 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000985339518 747747206 /nfs/dbraw/zinc/74/72/06/747747206.db2.gz WCFIJJPJHKHHKS-CHWSQXEVSA-N 1 1 327.450 0.504 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)c1ccc(C#N)nn1 ZINC001112181086 747761212 /nfs/dbraw/zinc/76/12/12/747761212.db2.gz CGIWIRNAUMYRGX-ZFWWWQNUSA-N 1 1 330.436 0.831 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985347804 747763990 /nfs/dbraw/zinc/76/39/90/747763990.db2.gz HVFDPUZVRQBJTK-UHFFFAOYSA-N 1 1 332.379 0.996 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001088226831 747774117 /nfs/dbraw/zinc/77/41/17/747774117.db2.gz XTLPBMVMQPIZGV-MRXNPFEDSA-N 1 1 348.451 0.579 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC001088230537 747784053 /nfs/dbraw/zinc/78/40/53/747784053.db2.gz SOFUQAPEJXYZKH-SFHVURJKSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3nnc(C)o3)CC2)C1 ZINC001088233296 747789475 /nfs/dbraw/zinc/78/94/75/747789475.db2.gz MIWXRFMBRZTIEX-MRXNPFEDSA-N 1 1 346.431 0.883 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC001088234188 747802379 /nfs/dbraw/zinc/80/23/79/747802379.db2.gz KPUITKMEAHYIAN-MRXNPFEDSA-N 1 1 349.475 0.851 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCOCC2)C1 ZINC001002828283 747842489 /nfs/dbraw/zinc/84/24/89/747842489.db2.gz BTALBDUVJUMOTJ-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCOCC2)C1 ZINC001002828283 747842492 /nfs/dbraw/zinc/84/24/92/747842492.db2.gz BTALBDUVJUMOTJ-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)n(C)n2)C1 ZINC001002828830 747843911 /nfs/dbraw/zinc/84/39/11/747843911.db2.gz HWQJRCNUDXNNQG-INIZCTEOSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)n(C)n2)C1 ZINC001002828830 747843920 /nfs/dbraw/zinc/84/39/20/747843920.db2.gz HWQJRCNUDXNNQG-INIZCTEOSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccccn2)C1 ZINC001002829432 747844530 /nfs/dbraw/zinc/84/45/30/747844530.db2.gz LBOCMGHUXKWPGZ-INIZCTEOSA-N 1 1 326.400 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccccn2)C1 ZINC001002829432 747844539 /nfs/dbraw/zinc/84/45/39/747844539.db2.gz LBOCMGHUXKWPGZ-INIZCTEOSA-N 1 1 326.400 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001088237817 747851675 /nfs/dbraw/zinc/85/16/75/747851675.db2.gz DLYQTDIZEHNXIR-OAGGEKHMSA-N 1 1 333.432 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](OC)C2CCC2)C1 ZINC001002835755 747856942 /nfs/dbraw/zinc/85/69/42/747856942.db2.gz PGJNMUNCVTUVGQ-DLBZAZTESA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](OC)C2CCC2)C1 ZINC001002835755 747856949 /nfs/dbraw/zinc/85/69/49/747856949.db2.gz PGJNMUNCVTUVGQ-DLBZAZTESA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nnn(C)c2C)C1=O ZINC001027804076 747912767 /nfs/dbraw/zinc/91/27/67/747912767.db2.gz VHTOVQJCYIKTPT-KGLIPLIRSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nnn(C)c2C)C1=O ZINC001027804076 747912772 /nfs/dbraw/zinc/91/27/72/747912772.db2.gz VHTOVQJCYIKTPT-KGLIPLIRSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cnccn3)C2)C1=O ZINC001029631158 747927576 /nfs/dbraw/zinc/92/75/76/747927576.db2.gz GILRTMGEBXVBQA-ZBFHGGJFSA-N 1 1 343.431 0.657 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001088239931 747934691 /nfs/dbraw/zinc/93/46/91/747934691.db2.gz LAGMIWFTWXXMSZ-INIZCTEOSA-N 1 1 330.432 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CC2 ZINC000979498763 747937109 /nfs/dbraw/zinc/93/71/09/747937109.db2.gz QXTFHMZYDDLKTF-XFIYOXNOSA-N 1 1 327.428 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CC2 ZINC000979498763 747937113 /nfs/dbraw/zinc/93/71/13/747937113.db2.gz QXTFHMZYDDLKTF-XFIYOXNOSA-N 1 1 327.428 0.457 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001029641390 747959151 /nfs/dbraw/zinc/95/91/51/747959151.db2.gz IAFICNPUQJRNPG-INIZCTEOSA-N 1 1 339.403 0.525 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2C[C@H]2CCNC(=O)CC2)c1 ZINC001027814997 748018435 /nfs/dbraw/zinc/01/84/35/748018435.db2.gz SRUJOQFAPAZSDN-HIFRSBDPSA-N 1 1 343.431 0.997 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+]2C[C@H]2CCNC(=O)CC2)c1 ZINC001027815000 748019162 /nfs/dbraw/zinc/01/91/62/748019162.db2.gz SRUJOQFAPAZSDN-UKRRQHHQSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cocn3)C2)C1=O ZINC001029674144 748031530 /nfs/dbraw/zinc/03/15/30/748031530.db2.gz CWOVXTPPCWKSBJ-HIFRSBDPSA-N 1 1 332.404 0.855 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029712296 748139465 /nfs/dbraw/zinc/13/94/65/748139465.db2.gz PAKAGIDWAZMNHY-VXGBXAGGSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029712296 748139468 /nfs/dbraw/zinc/13/94/68/748139468.db2.gz PAKAGIDWAZMNHY-VXGBXAGGSA-N 1 1 342.407 0.565 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001059553030 748260221 /nfs/dbraw/zinc/26/02/21/748260221.db2.gz KJKGSJLZIZTNBG-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001059553030 748260225 /nfs/dbraw/zinc/26/02/25/748260225.db2.gz KJKGSJLZIZTNBG-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027830509 748263989 /nfs/dbraw/zinc/26/39/89/748263989.db2.gz CQRSSICGSUEFAC-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027830509 748263993 /nfs/dbraw/zinc/26/39/93/748263993.db2.gz CQRSSICGSUEFAC-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC001003192846 748278478 /nfs/dbraw/zinc/27/84/78/748278478.db2.gz DYFMUWJUBSSZDT-NCOADZHNSA-N 1 1 345.443 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC001003192846 748278482 /nfs/dbraw/zinc/27/84/82/748278482.db2.gz DYFMUWJUBSSZDT-NCOADZHNSA-N 1 1 345.443 0.369 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027834232 748335644 /nfs/dbraw/zinc/33/56/44/748335644.db2.gz WMSHMCXUFAYVSB-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027834232 748335649 /nfs/dbraw/zinc/33/56/49/748335649.db2.gz WMSHMCXUFAYVSB-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO Cn1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)cc1=O ZINC001027832448 748341140 /nfs/dbraw/zinc/34/11/40/748341140.db2.gz DZMILTJHLNAVNT-MRXNPFEDSA-N 1 1 339.399 0.979 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC000985525086 748405558 /nfs/dbraw/zinc/40/55/58/748405558.db2.gz GLFMKEVBMIBPBY-UHFFFAOYSA-N 1 1 328.372 0.582 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2C(=O)CCC2=O)c[nH]1 ZINC001027836987 748408017 /nfs/dbraw/zinc/40/80/17/748408017.db2.gz ZKNBLLZHCMDTCP-AWEZNQCLSA-N 1 1 343.387 0.230 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(=O)n(C)cn3)C[C@H]2C1 ZINC000979799256 748415523 /nfs/dbraw/zinc/41/55/23/748415523.db2.gz YSWJPUQNBPJJKC-KKUMJFAQSA-N 1 1 328.416 0.634 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3csnn3)C2)C1=O ZINC001029795204 748447129 /nfs/dbraw/zinc/44/71/29/748447129.db2.gz PPDUIPDMLBJRCI-JSGCOSHPSA-N 1 1 349.460 0.719 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)[C@@H]2C1 ZINC001075862486 748523420 /nfs/dbraw/zinc/52/34/20/748523420.db2.gz PRDWKODNXKTVRC-WMLDXEAASA-N 1 1 336.399 0.832 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001007314532 752281996 /nfs/dbraw/zinc/28/19/96/752281996.db2.gz CDYNJRBPOKYKQL-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001007314532 752281997 /nfs/dbraw/zinc/28/19/97/752281997.db2.gz CDYNJRBPOKYKQL-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001003452567 748569442 /nfs/dbraw/zinc/56/94/42/748569442.db2.gz DUVBXFPCKOJQRV-BTUGKURYSA-N 1 1 347.459 0.636 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC001003462220 748577635 /nfs/dbraw/zinc/57/76/35/748577635.db2.gz GLASOXGXVAGSBE-INIZCTEOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC001003471440 748589022 /nfs/dbraw/zinc/58/90/22/748589022.db2.gz IRVHFFNCQQHRKF-AWEZNQCLSA-N 1 1 340.427 0.593 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001059584677 748603964 /nfs/dbraw/zinc/60/39/64/748603964.db2.gz UQBLLNLNQJUZMP-IXDOHACOSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001059584677 748603965 /nfs/dbraw/zinc/60/39/65/748603965.db2.gz UQBLLNLNQJUZMP-IXDOHACOSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(F)F)C[C@@H]2C1 ZINC000985600948 748720498 /nfs/dbraw/zinc/72/04/98/748720498.db2.gz BTGAHSPIUKQRAS-RDBSUJKOSA-N 1 1 339.386 0.656 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(F)F)C[C@@H]2C1 ZINC000985600948 748720501 /nfs/dbraw/zinc/72/05/01/748720501.db2.gz BTGAHSPIUKQRAS-RDBSUJKOSA-N 1 1 339.386 0.656 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)C(F)F)CC1 ZINC000979964597 748735717 /nfs/dbraw/zinc/73/57/17/748735717.db2.gz BTBZYXQWVHFOFA-BPCQOVAHSA-N 1 1 327.375 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)C(F)F)CC1 ZINC000979964597 748735721 /nfs/dbraw/zinc/73/57/21/748735721.db2.gz BTBZYXQWVHFOFA-BPCQOVAHSA-N 1 1 327.375 0.893 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985609326 748741761 /nfs/dbraw/zinc/74/17/61/748741761.db2.gz AHIMNRRIQGUMLZ-INIZCTEOSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2nccn2CC)C1=O ZINC001027855889 748744976 /nfs/dbraw/zinc/74/49/76/748744976.db2.gz ZGFJOBWQVRKPDT-LSDHHAIUSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nccn2CC)C1=O ZINC001027855889 748744980 /nfs/dbraw/zinc/74/49/80/748744980.db2.gz ZGFJOBWQVRKPDT-LSDHHAIUSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncoc2C)C1 ZINC000979966733 748758444 /nfs/dbraw/zinc/75/84/44/748758444.db2.gz DQKQEIDSKIVJKQ-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncoc2C)C1 ZINC000979966733 748758451 /nfs/dbraw/zinc/75/84/51/748758451.db2.gz DQKQEIDSKIVJKQ-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cccnc2)C1 ZINC000979969126 748762683 /nfs/dbraw/zinc/76/26/83/748762683.db2.gz WPLVYEJFKVBYLD-XIRDDKMYSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cccnc2)C1 ZINC000979969126 748762687 /nfs/dbraw/zinc/76/26/87/748762687.db2.gz WPLVYEJFKVBYLD-XIRDDKMYSA-N 1 1 340.427 0.804 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@@H+](C)Cc3cn(C)nn3)CC2)c1 ZINC000985637418 748775313 /nfs/dbraw/zinc/77/53/13/748775313.db2.gz IZHDLOVEJXQMNF-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@H+](C)Cc3cn(C)nn3)CC2)c1 ZINC000985637418 748775320 /nfs/dbraw/zinc/77/53/20/748775320.db2.gz IZHDLOVEJXQMNF-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO COCCN(CCNC(=O)Cn1cc[nH+]c1C)c1ccnc(C#N)n1 ZINC001126349004 752302066 /nfs/dbraw/zinc/30/20/66/752302066.db2.gz DQPFAMWVATTZCX-UHFFFAOYSA-N 1 1 343.391 0.122 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)[C@@H]1COC(=O)N1 ZINC001027860756 748816354 /nfs/dbraw/zinc/81/63/54/748816354.db2.gz KXADXBHTXOIURN-CVEARBPZSA-N 1 1 345.374 0.866 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)[C@@H]1COC(=O)N1 ZINC001027860756 748816355 /nfs/dbraw/zinc/81/63/55/748816355.db2.gz KXADXBHTXOIURN-CVEARBPZSA-N 1 1 345.374 0.866 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)Cc3cnc[nH]3)CC2)C1=O ZINC000985675343 748850197 /nfs/dbraw/zinc/85/01/97/748850197.db2.gz QYIHHXFQEZYJPD-INIZCTEOSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001087428194 748944091 /nfs/dbraw/zinc/94/40/91/748944091.db2.gz RIJIVJACJPLFQL-HZPDHXFCSA-N 1 1 326.404 0.833 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2nn(C)cc2C)C1=O ZINC001027878760 748972087 /nfs/dbraw/zinc/97/20/87/748972087.db2.gz HYNYSBWYCKRDCU-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nn(C)cc2C)C1=O ZINC001027878760 748972093 /nfs/dbraw/zinc/97/20/93/748972093.db2.gz HYNYSBWYCKRDCU-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO NC(=O)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000980158709 749088171 /nfs/dbraw/zinc/08/81/71/749088171.db2.gz AILYQTIMSAAKFX-YQQAZPJKSA-N 1 1 343.402 0.879 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001003973867 749096638 /nfs/dbraw/zinc/09/66/38/749096638.db2.gz GQXZFOXEMWEJLA-WBVHZDCISA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001003973867 749096644 /nfs/dbraw/zinc/09/66/44/749096644.db2.gz GQXZFOXEMWEJLA-WBVHZDCISA-N 1 1 348.491 0.696 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4nnnc4c3)C[C@@H]2C1 ZINC000980166079 749100043 /nfs/dbraw/zinc/10/00/43/749100043.db2.gz DONDKZXGRLZXTD-XHSDSOJGSA-N 1 1 338.415 0.978 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)cn3)C[C@@H]2C1 ZINC000980167764 749102203 /nfs/dbraw/zinc/10/22/03/749102203.db2.gz QQWIEKKGHSXNNF-RRFJBIMHSA-N 1 1 328.416 0.634 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3ccn(C)n3)CC2)C1=O ZINC000985787071 749102564 /nfs/dbraw/zinc/10/25/64/749102564.db2.gz IDJACPZJDZORLN-INIZCTEOSA-N 1 1 345.447 0.743 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001003984589 749107220 /nfs/dbraw/zinc/10/72/20/749107220.db2.gz GCFIYEAWKWINIW-MRXNPFEDSA-N 1 1 346.475 0.450 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001059648290 749113328 /nfs/dbraw/zinc/11/33/28/749113328.db2.gz QAHMCMLGSWLGFG-GDBMZVCRSA-N 1 1 346.431 0.585 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC000980194423 749129160 /nfs/dbraw/zinc/12/91/60/749129160.db2.gz QRXBWMAVBXPCMW-SOUVJXGZSA-N 1 1 348.447 0.721 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)nc1 ZINC001004002286 749130450 /nfs/dbraw/zinc/13/04/50/749130450.db2.gz BCPWIUKWKZMAFJ-OAHLLOKOSA-N 1 1 340.383 0.062 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3C2)nn1 ZINC000980185530 749135551 /nfs/dbraw/zinc/13/55/51/749135551.db2.gz WFOOBIZWOKLMPC-BFHYXJOUSA-N 1 1 346.435 0.170 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)CC(C)C)CC2)CC1 ZINC000985824474 749177341 /nfs/dbraw/zinc/17/73/41/749177341.db2.gz FTYVGFYIJITIHY-UHFFFAOYSA-N 1 1 334.464 0.938 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC000980235509 749218398 /nfs/dbraw/zinc/21/83/98/749218398.db2.gz ATIZEUAFIJRKIQ-RWMBFGLXSA-N 1 1 327.388 0.039 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 ZINC000980240178 749244610 /nfs/dbraw/zinc/24/46/10/749244610.db2.gz CNODYNNINBVRNZ-BFHYXJOUSA-N 1 1 334.420 0.283 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)n3C)C[C@@H]2C1 ZINC000980240753 749245813 /nfs/dbraw/zinc/24/58/13/749245813.db2.gz AIJFCOMUOOADHO-ZNMIVQPWSA-N 1 1 330.432 0.577 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC000980241773 749246650 /nfs/dbraw/zinc/24/66/50/749246650.db2.gz GFEGPFAHVGQSLP-RWMBFGLXSA-N 1 1 329.404 0.592 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(OC)ncnc3OC)C[C@@H]2C1 ZINC000980243586 749249273 /nfs/dbraw/zinc/24/92/73/749249273.db2.gz BNOOORYHZAXSSH-MJBXVCDLSA-N 1 1 344.415 0.957 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(N)=O)ccn3)C[C@@H]2C1 ZINC000980266227 749275323 /nfs/dbraw/zinc/27/53/23/749275323.db2.gz JHFJLUPCBGZNDG-RRFJBIMHSA-N 1 1 326.400 0.644 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098632344 749334136 /nfs/dbraw/zinc/33/41/36/749334136.db2.gz BFBNATQFMCOHMA-DZGCQCFKSA-N 1 1 337.424 0.115 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@H+]2CCN2CCNC2=O)CC1 ZINC001004393548 749460811 /nfs/dbraw/zinc/46/08/11/749460811.db2.gz DOAJFMYOHBLWBJ-ZBFHGGJFSA-N 1 1 347.463 0.874 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@H]2CCC[N@H+]2Cc2nc(=O)n(C)[nH]2)CC1 ZINC001004398710 749465825 /nfs/dbraw/zinc/46/58/25/749465825.db2.gz VOVFSFAFWIIDGO-TZMCWYRMSA-N 1 1 346.435 0.471 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001004536682 749604388 /nfs/dbraw/zinc/60/43/88/749604388.db2.gz ZIBQMIUCYMWCKF-BMFZPTHFSA-N 1 1 335.448 0.636 20 30 ECEDMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000986181108 749639659 /nfs/dbraw/zinc/63/96/59/749639659.db2.gz FVERISUCWLCZFX-GWCFXTLKSA-N 1 1 340.391 0.601 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001004575194 749648370 /nfs/dbraw/zinc/64/83/70/749648370.db2.gz ALVIGVAQDICCDN-GJZGRUSLSA-N 1 1 346.431 0.311 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3cc(C)cn3)[C@H]2C)C1=O ZINC001088485396 749666757 /nfs/dbraw/zinc/66/67/57/749666757.db2.gz IJMUQSFMHRYRRL-OWCLPIDISA-N 1 1 345.447 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc(C)cn3)[C@H]2C)C1=O ZINC001088485396 749666761 /nfs/dbraw/zinc/66/67/61/749666761.db2.gz IJMUQSFMHRYRRL-OWCLPIDISA-N 1 1 345.447 0.557 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001004609410 749681702 /nfs/dbraw/zinc/68/17/02/749681702.db2.gz HQHXEBKJKLWNMQ-HUUCEWRRSA-N 1 1 346.431 0.311 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC001004615296 749690210 /nfs/dbraw/zinc/69/02/10/749690210.db2.gz FOWBKDVTOZGHFW-HZPDHXFCSA-N 1 1 338.473 0.900 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001004620055 749697470 /nfs/dbraw/zinc/69/74/70/749697470.db2.gz FVZXBXMNCKEXAV-OAHLLOKOSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001004625547 749703295 /nfs/dbraw/zinc/70/32/95/749703295.db2.gz VRPTUKBJWFXWJW-OAHLLOKOSA-N 1 1 346.431 0.265 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1C ZINC000986286353 749754903 /nfs/dbraw/zinc/75/49/03/749754903.db2.gz NMLKCADSTCUGGH-HIFRSBDPSA-N 1 1 330.436 0.966 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)on3)[C@H]2C)C1=O ZINC001088497518 749994930 /nfs/dbraw/zinc/99/49/30/749994930.db2.gz AVKLPDMKUOYQFH-KBMXLJTQSA-N 1 1 346.431 0.891 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc(C)on3)[C@H]2C)C1=O ZINC001088497518 749994934 /nfs/dbraw/zinc/99/49/34/749994934.db2.gz AVKLPDMKUOYQFH-KBMXLJTQSA-N 1 1 346.431 0.891 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001029946209 750024433 /nfs/dbraw/zinc/02/44/33/750024433.db2.gz HWFWZTFGHQQOBN-UKRRQHHQSA-N 1 1 341.477 0.751 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001027968704 750060731 /nfs/dbraw/zinc/06/07/31/750060731.db2.gz YSZARNNZINXGMW-AWEZNQCLSA-N 1 1 326.462 0.968 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)C#CC2CC2)CC1)[C@@H]1CCC(=O)NC1=O ZINC001029964871 750118199 /nfs/dbraw/zinc/11/81/99/750118199.db2.gz DNQHUYVDMIEURI-OAHLLOKOSA-N 1 1 331.416 0.375 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001058848399 750156681 /nfs/dbraw/zinc/15/66/81/750156681.db2.gz FGQUCGMXCJKDMI-LSDHHAIUSA-N 1 1 339.480 0.724 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058848839 750163796 /nfs/dbraw/zinc/16/37/96/750163796.db2.gz LEPFFJDIGZJUKF-GJZGRUSLSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)c3cn[nH]n3)CC2)C1=O ZINC001029974561 750171475 /nfs/dbraw/zinc/17/14/75/750171475.db2.gz BALCXCYZGCFWDM-HNNXBMFYSA-N 1 1 346.435 0.376 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001030184759 762014470 /nfs/dbraw/zinc/01/44/70/762014470.db2.gz XPTASQYXSZAWBM-MRXNPFEDSA-N 1 1 332.379 0.328 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001030184759 762014480 /nfs/dbraw/zinc/01/44/80/762014480.db2.gz XPTASQYXSZAWBM-MRXNPFEDSA-N 1 1 332.379 0.328 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 ZINC000986601995 750182506 /nfs/dbraw/zinc/18/25/06/750182506.db2.gz VRZZNYQKFNQKSB-CFVMTHIKSA-N 1 1 329.404 0.658 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000980885385 750305673 /nfs/dbraw/zinc/30/56/73/750305673.db2.gz UGIKHLUUZLJSSD-OAHLLOKOSA-N 1 1 331.420 0.273 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3cc[nH]n3)CC2)C1=O ZINC000980885385 750305682 /nfs/dbraw/zinc/30/56/82/750305682.db2.gz UGIKHLUUZLJSSD-OAHLLOKOSA-N 1 1 331.420 0.273 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3cc[nH]n3)CC2)C1=O ZINC000980885385 750305691 /nfs/dbraw/zinc/30/56/91/750305691.db2.gz UGIKHLUUZLJSSD-OAHLLOKOSA-N 1 1 331.420 0.273 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001005184246 750340913 /nfs/dbraw/zinc/34/09/13/750340913.db2.gz LKESHSAYTWFOGK-DLBZAZTESA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001005184246 750340920 /nfs/dbraw/zinc/34/09/20/750340920.db2.gz LKESHSAYTWFOGK-DLBZAZTESA-N 1 1 348.491 0.790 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000980917717 750352539 /nfs/dbraw/zinc/35/25/39/750352539.db2.gz WYJDTIWLDFDRDE-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000980917717 750352548 /nfs/dbraw/zinc/35/25/48/750352548.db2.gz WYJDTIWLDFDRDE-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000980917389 750353029 /nfs/dbraw/zinc/35/30/29/750353029.db2.gz MRRUWKZCXGRNBX-INIZCTEOSA-N 1 1 341.415 0.821 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000980917389 750353035 /nfs/dbraw/zinc/35/30/35/750353035.db2.gz MRRUWKZCXGRNBX-INIZCTEOSA-N 1 1 341.415 0.821 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001005261961 750432832 /nfs/dbraw/zinc/43/28/32/750432832.db2.gz XYIAVXLJPANBMC-UHFFFAOYSA-N 1 1 329.404 0.655 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccnn3C)[C@H]2C)C1=O ZINC001088544921 750490485 /nfs/dbraw/zinc/49/04/85/750490485.db2.gz FUBSLLSLOZNZCR-VNQPRFMTSA-N 1 1 345.447 0.329 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)cc1 ZINC001028072185 750495446 /nfs/dbraw/zinc/49/54/46/750495446.db2.gz IYTZFRARPFKZPP-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)NC1=O ZINC001028076869 750537430 /nfs/dbraw/zinc/53/74/30/750537430.db2.gz ZEBPRIFLSDTAFW-HOTGVXAUSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)n3)[C@@H]2C)nn1 ZINC000987169976 750543633 /nfs/dbraw/zinc/54/36/33/750543633.db2.gz RNFJVLSCWFEOAP-GXTWGEPZSA-N 1 1 344.423 0.376 20 30 ECEDMO C#CCC[NH+]1CCC(N(C)C(=O)C[C@H]2CCCS2(=O)=O)CC1 ZINC001005765414 750609344 /nfs/dbraw/zinc/60/93/44/750609344.db2.gz KMGGBNJFWIHRIU-OAHLLOKOSA-N 1 1 326.462 0.900 20 30 ECEDMO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001059789086 750664643 /nfs/dbraw/zinc/66/46/43/750664643.db2.gz TXLOCVNRCZJBPB-HNNXBMFYSA-N 1 1 325.453 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC001005831814 750702022 /nfs/dbraw/zinc/70/20/22/750702022.db2.gz ZZWXIJRABKLWLH-GUYCJALGSA-N 1 1 340.427 0.734 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059794698 750744609 /nfs/dbraw/zinc/74/46/09/750744609.db2.gz QDLAWEPYOOIVQL-GUTXKFCHSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059794698 750744612 /nfs/dbraw/zinc/74/46/12/750744612.db2.gz QDLAWEPYOOIVQL-GUTXKFCHSA-N 1 1 344.419 0.517 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCc2cnc[nH]2)C1 ZINC001005870613 750748403 /nfs/dbraw/zinc/74/84/03/750748403.db2.gz QDPWBHVFISSGQZ-NSHDSACASA-N 1 1 340.387 0.819 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)[C@H](C)OC)C3)C2)C1=O ZINC000981651008 750919188 /nfs/dbraw/zinc/91/91/88/750919188.db2.gz BAKKSVLFYMYVLG-LSDHHAIUSA-N 1 1 335.448 0.733 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000981694455 750981045 /nfs/dbraw/zinc/98/10/45/750981045.db2.gz HDKNTGMVTXSOMQ-ZDUSSCGKSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000987633745 751032144 /nfs/dbraw/zinc/03/21/44/751032144.db2.gz ITUWPVHEOSSURO-IPYPFGDCSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001006123254 751043215 /nfs/dbraw/zinc/04/32/15/751043215.db2.gz MPBGYVGZTQBXTP-ZDUSSCGKSA-N 1 1 349.884 0.696 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CCC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC000981761548 751073174 /nfs/dbraw/zinc/07/31/74/751073174.db2.gz OECCOUCJXXOLQI-AWEZNQCLSA-N 1 1 329.400 0.129 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000981776643 751086796 /nfs/dbraw/zinc/08/67/96/751086796.db2.gz TYBBRSWCNHZCNS-OAGGEKHMSA-N 1 1 347.459 0.781 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCS3(=O)=O)C2)C1 ZINC000981809046 751128636 /nfs/dbraw/zinc/12/86/36/751128636.db2.gz YUILCKAUFPABQO-OAHLLOKOSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCS3(=O)=O)C2)C1 ZINC000981809046 751128637 /nfs/dbraw/zinc/12/86/37/751128637.db2.gz YUILCKAUFPABQO-OAHLLOKOSA-N 1 1 338.473 0.901 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)N(C)C)c1 ZINC001028130160 751154747 /nfs/dbraw/zinc/15/47/47/751154747.db2.gz YWDQNIMWYCHKQP-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(C)C)c1 ZINC001028130160 751154751 /nfs/dbraw/zinc/15/47/51/751154751.db2.gz YWDQNIMWYCHKQP-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C=CCCOCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059831063 751169280 /nfs/dbraw/zinc/16/92/80/751169280.db2.gz MFGHSFUDENFAAK-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001006301678 751220094 /nfs/dbraw/zinc/22/00/94/751220094.db2.gz ASCFORFLDXKGQQ-ZDUSSCGKSA-N 1 1 344.415 0.504 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000987822520 751225714 /nfs/dbraw/zinc/22/57/14/751225714.db2.gz FPKYOGIMCOYPKL-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C2=CCOCC2)C1 ZINC001006312321 751230408 /nfs/dbraw/zinc/23/04/08/751230408.db2.gz DJUWPWQGYNIXAC-PBHICJAKSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C2=CCOCC2)C1 ZINC001006312321 751230410 /nfs/dbraw/zinc/23/04/10/751230410.db2.gz DJUWPWQGYNIXAC-PBHICJAKSA-N 1 1 345.443 0.394 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(=O)n(CCOC)n3)C2)C1 ZINC000981881049 751233884 /nfs/dbraw/zinc/23/38/84/751233884.db2.gz NMLFODIUBDQLKZ-UHFFFAOYSA-N 1 1 346.431 0.614 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC000987823777 751253295 /nfs/dbraw/zinc/25/32/95/751253295.db2.gz KIYPRVBBRYLNKG-HOCLYGCPSA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC000987823777 751253299 /nfs/dbraw/zinc/25/32/99/751253299.db2.gz KIYPRVBBRYLNKG-HOCLYGCPSA-N 1 1 344.415 0.693 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC000981933362 751287744 /nfs/dbraw/zinc/28/77/44/751287744.db2.gz QENIMPFOWZPVCZ-UHFFFAOYSA-N 1 1 334.464 0.309 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)C(=O)[C@H]1CCC[N@H+]1C ZINC000987871339 751301321 /nfs/dbraw/zinc/30/13/21/751301321.db2.gz GENNOMJMTVMHTJ-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)cc1F ZINC001007341347 752309414 /nfs/dbraw/zinc/30/94/14/752309414.db2.gz ZRHSJARFLQJVAS-AWEZNQCLSA-N 1 1 343.366 0.465 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)cc1F ZINC001007341347 752309423 /nfs/dbraw/zinc/30/94/23/752309423.db2.gz ZRHSJARFLQJVAS-AWEZNQCLSA-N 1 1 343.366 0.465 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csnn2)C1 ZINC001020945511 752372300 /nfs/dbraw/zinc/37/23/00/752372300.db2.gz MPOMJRSQKWSIRQ-HAQNSBGRSA-N 1 1 343.412 0.996 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)nc1 ZINC001020946470 752373243 /nfs/dbraw/zinc/37/32/43/752373243.db2.gz GMLDWLGJTDWSJW-JOCQHMNTSA-N 1 1 340.387 0.563 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccnc(C)n2)C1=O ZINC001028325750 752374851 /nfs/dbraw/zinc/37/48/51/752374851.db2.gz MHBKTHSKJINTKM-GOEBONIOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccnc(C)n2)C1=O ZINC001028325750 752374860 /nfs/dbraw/zinc/37/48/60/752374860.db2.gz MHBKTHSKJINTKM-GOEBONIOSA-N 1 1 343.431 0.766 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2[C@@H]2CCN(C)C2=O)CC1 ZINC001028334034 752412839 /nfs/dbraw/zinc/41/28/39/752412839.db2.gz VCLMCWLYPKNFBQ-DLBZAZTESA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2[C@H]2CCCNC2=O)CC1 ZINC001028333813 752413188 /nfs/dbraw/zinc/41/31/88/752413188.db2.gz RHQRJYKTFDJKOD-IRXDYDNUSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2[C@@H](CC)C(N)=O)CC1 ZINC001028334053 752413691 /nfs/dbraw/zinc/41/36/91/752413691.db2.gz VLDWYHGZRGAYMF-HOTGVXAUSA-N 1 1 334.464 0.176 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1OC ZINC001212032084 752429140 /nfs/dbraw/zinc/42/91/40/752429140.db2.gz JCTVLFMLMZSLDV-HZPDHXFCSA-N 1 1 326.437 0.821 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](NC(C)=O)C(C)C)C2)nn1 ZINC001105365171 752443506 /nfs/dbraw/zinc/44/35/06/752443506.db2.gz KANBLWSWFJMEIR-OAHLLOKOSA-N 1 1 334.424 0.098 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2nonc2C)C1=O ZINC001028351706 752459409 /nfs/dbraw/zinc/45/94/09/752459409.db2.gz QFIRNNBTFGQMPJ-QWHCGFSZSA-N 1 1 333.392 0.359 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nonc2C)C1=O ZINC001028351706 752459411 /nfs/dbraw/zinc/45/94/11/752459411.db2.gz QFIRNNBTFGQMPJ-QWHCGFSZSA-N 1 1 333.392 0.359 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@H]1C ZINC001088614361 752586169 /nfs/dbraw/zinc/58/61/69/752586169.db2.gz IHFCVBPQIKKGSA-YPMHNXCESA-N 1 1 327.388 0.890 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC2(O)CCC2)[C@@H]1C ZINC000988738563 752641034 /nfs/dbraw/zinc/64/10/34/752641034.db2.gz PFYNHBMGBWVHCA-PMPSAXMXSA-N 1 1 347.459 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC2(O)CCC2)[C@@H]1C ZINC000988738563 752641038 /nfs/dbraw/zinc/64/10/38/752641038.db2.gz PFYNHBMGBWVHCA-PMPSAXMXSA-N 1 1 347.459 0.495 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ncc[nH]2)[C@@H]1C ZINC000988739218 752641994 /nfs/dbraw/zinc/64/19/94/752641994.db2.gz YGTKLTUUUSUODO-ILXRZTDVSA-N 1 1 343.431 0.155 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ncc[nH]2)[C@@H]1C ZINC000988739218 752641999 /nfs/dbraw/zinc/64/19/99/752641999.db2.gz YGTKLTUUUSUODO-ILXRZTDVSA-N 1 1 343.431 0.155 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)c1 ZINC001028448310 752683211 /nfs/dbraw/zinc/68/32/11/752683211.db2.gz DAKPNWQORYSYST-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)[nH]1 ZINC001021232793 752683381 /nfs/dbraw/zinc/68/33/81/752683381.db2.gz HUHFFSBXJFPTSV-FLTXBFBQSA-N 1 1 327.388 0.500 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001028464204 752750009 /nfs/dbraw/zinc/75/00/09/752750009.db2.gz MZATUFLSEZWJDM-UKRRQHHQSA-N 1 1 344.415 0.626 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001028467750 752761582 /nfs/dbraw/zinc/76/15/82/752761582.db2.gz HDYZBQGCRGMKJW-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001028469968 752771180 /nfs/dbraw/zinc/77/11/80/752771180.db2.gz XQDJIVXUPFTNAS-XJKSGUPXSA-N 1 1 343.431 0.947 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1)C1CC1 ZINC001028486251 752821436 /nfs/dbraw/zinc/82/14/36/752821436.db2.gz CTIASTQEVQWZDW-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)[nH]1 ZINC001028486598 752822078 /nfs/dbraw/zinc/82/20/78/752822078.db2.gz HZSWWFXQGULXDJ-ZDUSSCGKSA-N 1 1 329.404 0.560 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001028490199 752828783 /nfs/dbraw/zinc/82/87/83/752828783.db2.gz JHCDZAIZWIGBBP-OALUTQOASA-N 1 1 341.455 0.807 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)[nH]1 ZINC001028487162 752832377 /nfs/dbraw/zinc/83/23/77/752832377.db2.gz RMDZBMHXHZLSLY-KBPBESRZSA-N 1 1 343.431 0.854 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)c[nH]1 ZINC001028491806 752836558 /nfs/dbraw/zinc/83/65/58/752836558.db2.gz MIUKHMJJLSJVHL-ZDUSSCGKSA-N 1 1 329.404 0.560 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)F)[C@@H](O)C1 ZINC001083459526 752876056 /nfs/dbraw/zinc/87/60/56/752876056.db2.gz OEXHBEBLWKIRGL-YPMHNXCESA-N 1 1 328.363 0.889 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@]2(C)C1 ZINC000982555588 752888592 /nfs/dbraw/zinc/88/85/92/752888592.db2.gz BQAPMIIAOADDNU-HDICACEKSA-N 1 1 328.416 0.921 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001059931261 752899441 /nfs/dbraw/zinc/89/94/41/752899441.db2.gz OQFKIKSVUZJERB-KBPBESRZSA-N 1 1 328.420 0.633 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001059931925 752911814 /nfs/dbraw/zinc/91/18/14/752911814.db2.gz YKJABXNFVJGEON-CABCVRRESA-N 1 1 342.447 0.941 20 30 ECEDMO C#CCC[N@H+]1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001007820602 752959969 /nfs/dbraw/zinc/95/99/69/752959969.db2.gz CJNABKYGCQMRFY-HNNXBMFYSA-N 1 1 332.448 0.979 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001007820602 752959972 /nfs/dbraw/zinc/95/99/72/752959972.db2.gz CJNABKYGCQMRFY-HNNXBMFYSA-N 1 1 332.448 0.979 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001028521290 753037978 /nfs/dbraw/zinc/03/79/78/753037978.db2.gz FPERSFHZKSHXBT-JTQLQIEISA-N 1 1 328.214 0.775 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001028521290 753037981 /nfs/dbraw/zinc/03/79/81/753037981.db2.gz FPERSFHZKSHXBT-JTQLQIEISA-N 1 1 328.214 0.775 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001007951601 753119777 /nfs/dbraw/zinc/11/97/77/753119777.db2.gz JYYZDRKCBDHBNS-CQSZACIVSA-N 1 1 327.450 0.016 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(=O)NC)C[C@]2(C)C1 ZINC000982640708 753179779 /nfs/dbraw/zinc/17/97/79/753179779.db2.gz IERVFHGJRABCQB-OYSPMZIOSA-N 1 1 349.475 0.884 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000982661726 753240778 /nfs/dbraw/zinc/24/07/78/753240778.db2.gz TYGIHCOUEFWOQN-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001028576393 753248834 /nfs/dbraw/zinc/24/88/34/753248834.db2.gz DHSJKDVSSNGLCJ-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC001051494293 762204791 /nfs/dbraw/zinc/20/47/91/762204791.db2.gz HDSRIKFKJZRVRS-QWRGUYRKSA-N 1 1 325.800 0.550 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001008124415 753342718 /nfs/dbraw/zinc/34/27/18/753342718.db2.gz UGHNUCGYFORDMR-GFCCVEGCSA-N 1 1 330.396 0.464 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001051495097 762207238 /nfs/dbraw/zinc/20/72/38/762207238.db2.gz QPFHYVFRVWGRMU-WCQYABFASA-N 1 1 332.408 0.169 20 30 ECEDMO CCCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)s1 ZINC001051495474 762208470 /nfs/dbraw/zinc/20/84/70/762208470.db2.gz VDRGBFZFXXQFFQ-VXGBXAGGSA-N 1 1 337.449 0.967 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000982739331 753449786 /nfs/dbraw/zinc/44/97/86/753449786.db2.gz KWDSZBZWNGZWQU-HZPDHXFCSA-N 1 1 333.432 0.085 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000982739331 753449793 /nfs/dbraw/zinc/44/97/93/753449793.db2.gz KWDSZBZWNGZWQU-HZPDHXFCSA-N 1 1 333.432 0.085 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cccnc3N(C)C)C2)nn1 ZINC001105372532 753671061 /nfs/dbraw/zinc/67/10/61/753671061.db2.gz LVMFTIKXCXMBCH-UHFFFAOYSA-N 1 1 341.419 0.712 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3=COCCC3)[C@@H](O)C2)c1 ZINC001083366560 753694246 /nfs/dbraw/zinc/69/42/46/753694246.db2.gz OMJIRENXOKHVHP-SJORKVTESA-N 1 1 327.384 0.914 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C3=COCCC3)[C@@H](O)C2)c1 ZINC001083366560 753694249 /nfs/dbraw/zinc/69/42/49/753694249.db2.gz OMJIRENXOKHVHP-SJORKVTESA-N 1 1 327.384 0.914 20 30 ECEDMO C=CCNCc1cn([C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001098683263 753694690 /nfs/dbraw/zinc/69/46/90/753694690.db2.gz VTWOPANHHVWMEE-INIZCTEOSA-N 1 1 332.452 0.811 20 30 ECEDMO CN(CCN(C)c1nccnc1C#N)C(=O)c1cc(C[NH+](C)C)on1 ZINC001105499904 753749584 /nfs/dbraw/zinc/74/95/84/753749584.db2.gz JFPSQVRPYOGSJT-UHFFFAOYSA-N 1 1 343.391 0.606 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc4n3CCCC4)C2)nn1 ZINC001105374375 753752396 /nfs/dbraw/zinc/75/23/96/753752396.db2.gz XMHRSHMWOLYTST-UHFFFAOYSA-N 1 1 341.419 0.784 20 30 ECEDMO Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392795 753795005 /nfs/dbraw/zinc/79/50/05/753795005.db2.gz ZFIGDNFPLZCZKQ-KGLIPLIRSA-N 1 1 345.428 0.669 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2cnon2)C(C)(C)C1 ZINC001008490647 753803667 /nfs/dbraw/zinc/80/36/67/753803667.db2.gz CPNZXNLTNHRCLD-KBPBESRZSA-N 1 1 345.403 0.134 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2cnon2)C(C)(C)C1 ZINC001008490647 753803675 /nfs/dbraw/zinc/80/36/75/753803675.db2.gz CPNZXNLTNHRCLD-KBPBESRZSA-N 1 1 345.403 0.134 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001028598073 753858008 /nfs/dbraw/zinc/85/80/08/753858008.db2.gz LSSTVGYLUVWPTE-RHSMWYFYSA-N 1 1 325.412 0.975 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001087464958 753870629 /nfs/dbraw/zinc/87/06/29/753870629.db2.gz NWTPCAWEVICFKW-HZPDHXFCSA-N 1 1 344.394 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cn(CC)nn2)C1 ZINC001028603489 753899303 /nfs/dbraw/zinc/89/93/03/753899303.db2.gz BIADZPGBHSDJLQ-RDJZCZTQSA-N 1 1 344.463 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cn(CC)nn2)C1 ZINC001028603489 753899312 /nfs/dbraw/zinc/89/93/12/753899312.db2.gz BIADZPGBHSDJLQ-RDJZCZTQSA-N 1 1 344.463 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ncnc2nc[nH]c21 ZINC001105599117 753969815 /nfs/dbraw/zinc/96/98/15/753969815.db2.gz ILTDVQDWAJMGAW-ZDUSSCGKSA-N 1 1 341.419 0.345 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ncnc2nc[nH]c21 ZINC001105599117 753969820 /nfs/dbraw/zinc/96/98/20/753969820.db2.gz ILTDVQDWAJMGAW-ZDUSSCGKSA-N 1 1 341.419 0.345 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001028629417 753992712 /nfs/dbraw/zinc/99/27/12/753992712.db2.gz LOUVLMBVPCRWJD-UPJWGTAASA-N 1 1 334.338 0.794 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cn(CC)nn3)C[C@H]2C)nn1 ZINC000989536982 754081402 /nfs/dbraw/zinc/08/14/02/754081402.db2.gz QRYZJJIEQUNGHF-CHWSQXEVSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nonc3C)C[C@H]2C)nn1 ZINC000989537449 754082500 /nfs/dbraw/zinc/08/25/00/754082500.db2.gz UROQOSGALUTPIE-ZYHUDNBSSA-N 1 1 331.380 0.548 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3ncnn3C)C[C@H]2C)nn1 ZINC000989544814 754093761 /nfs/dbraw/zinc/09/37/61/754093761.db2.gz XUJSCRQARKCWKK-OLZOCXBDSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001008791837 754122734 /nfs/dbraw/zinc/12/27/34/754122734.db2.gz ALNOSKPUCJSYDZ-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001008791837 754122737 /nfs/dbraw/zinc/12/27/37/754122737.db2.gz ALNOSKPUCJSYDZ-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cccn3)C2)nn1 ZINC001008792901 754123852 /nfs/dbraw/zinc/12/38/52/754123852.db2.gz GTPXTVCCWHBOQN-CQSZACIVSA-N 1 1 329.408 0.555 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001008800145 754131565 /nfs/dbraw/zinc/13/15/65/754131565.db2.gz NXWBRBUTAPHRDT-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001008800145 754131568 /nfs/dbraw/zinc/13/15/68/754131568.db2.gz NXWBRBUTAPHRDT-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001075680144 754137149 /nfs/dbraw/zinc/13/71/49/754137149.db2.gz DROLWUGBLHKCOP-IHRRRGAJSA-N 1 1 340.493 0.984 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028639975 754141879 /nfs/dbraw/zinc/14/18/79/754141879.db2.gz HQNNRCILVBULEY-NEPJUHHUSA-N 1 1 339.827 0.737 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028639975 754141883 /nfs/dbraw/zinc/14/18/83/754141883.db2.gz HQNNRCILVBULEY-NEPJUHHUSA-N 1 1 339.827 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ocnc2C)C1 ZINC000982920683 754199062 /nfs/dbraw/zinc/19/90/62/754199062.db2.gz FPCZPCJTXXUBPD-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ocnc2C)C1 ZINC000982920683 754199066 /nfs/dbraw/zinc/19/90/66/754199066.db2.gz FPCZPCJTXXUBPD-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccoc2)C1 ZINC000982921230 754201331 /nfs/dbraw/zinc/20/13/31/754201331.db2.gz HLEKLMKPIZFCTE-ZBFHGGJFSA-N 1 1 329.400 0.956 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccoc2)C1 ZINC000982921230 754201334 /nfs/dbraw/zinc/20/13/34/754201334.db2.gz HLEKLMKPIZFCTE-ZBFHGGJFSA-N 1 1 329.400 0.956 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC000982922606 754204202 /nfs/dbraw/zinc/20/42/02/754204202.db2.gz MCRRYMVUCXHFHM-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC000982922606 754204204 /nfs/dbraw/zinc/20/42/04/754204204.db2.gz MCRRYMVUCXHFHM-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2oncc2C)C1 ZINC000982924114 754208288 /nfs/dbraw/zinc/20/82/88/754208288.db2.gz UVZMKRWVVCELQT-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2oncc2C)C1 ZINC000982924114 754208296 /nfs/dbraw/zinc/20/82/96/754208296.db2.gz UVZMKRWVVCELQT-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cc(C(N)=O)cn3C)CCC[C@@H]12 ZINC000991625399 762279245 /nfs/dbraw/zinc/27/92/45/762279245.db2.gz PCIFNDCKXSMDQJ-QAPCUYQASA-N 1 1 328.416 0.874 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001008886329 754259986 /nfs/dbraw/zinc/25/99/86/754259986.db2.gz WGAUWQBJENFBOI-JONQDZQNSA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC000982948373 754266336 /nfs/dbraw/zinc/26/63/36/754266336.db2.gz RZKQHTIOMMFCRY-GJZGRUSLSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC000982948373 754266342 /nfs/dbraw/zinc/26/63/42/754266342.db2.gz RZKQHTIOMMFCRY-GJZGRUSLSA-N 1 1 343.431 0.096 20 30 ECEDMO CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111600113 762288526 /nfs/dbraw/zinc/28/85/26/762288526.db2.gz NCRMRKXFXVIDKG-BBRMVZONSA-N 1 1 338.477 0.740 20 30 ECEDMO CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111600113 762288533 /nfs/dbraw/zinc/28/85/33/762288533.db2.gz NCRMRKXFXVIDKG-BBRMVZONSA-N 1 1 338.477 0.740 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001028661544 754397023 /nfs/dbraw/zinc/39/70/23/754397023.db2.gz LSHCWHZFDMPGDA-LBPRGKRZSA-N 1 1 328.372 0.488 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000983008465 754413790 /nfs/dbraw/zinc/41/37/90/754413790.db2.gz GACZBZGIMINFMQ-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N1CCC(OCC2CC2)CC1 ZINC000261842817 754503158 /nfs/dbraw/zinc/50/31/58/754503158.db2.gz WUPUEKMYYFYMIG-INIZCTEOSA-N 1 1 335.496 0.453 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001028673062 754573991 /nfs/dbraw/zinc/57/39/91/754573991.db2.gz SJMYBXPAHICXLH-QWHCGFSZSA-N 1 1 328.844 0.968 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001028673062 754573993 /nfs/dbraw/zinc/57/39/93/754573993.db2.gz SJMYBXPAHICXLH-QWHCGFSZSA-N 1 1 328.844 0.968 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001105872912 762317779 /nfs/dbraw/zinc/31/77/79/762317779.db2.gz FKVUIXKOIPZHCX-KGLIPLIRSA-N 1 1 332.408 0.112 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cscn3)C2)[nH]1 ZINC001051554907 762329450 /nfs/dbraw/zinc/32/94/50/762329450.db2.gz JBHUFIWXYDGGRY-ZDUSSCGKSA-N 1 1 331.401 0.974 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cncn3C)C2)nn1 ZINC001098687966 754757657 /nfs/dbraw/zinc/75/76/57/754757657.db2.gz GKHSCSGRGHHIMZ-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H]2CCCNC2=O)CC3)c1 ZINC000990159434 754784857 /nfs/dbraw/zinc/78/48/57/754784857.db2.gz DLQOPGYJNFOSAP-MPGHIAIKSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H]2CCNC2=O)CC3)c1 ZINC000990159876 754785386 /nfs/dbraw/zinc/78/53/86/754785386.db2.gz GBSWSHHWHWZNNS-KEYYUXOJSA-N 1 1 327.388 0.502 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001028710542 754787361 /nfs/dbraw/zinc/78/73/61/754787361.db2.gz WOIFUNRNVVXGMC-BBWFWOEESA-N 1 1 337.464 0.490 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)c1 ZINC000990164067 754789696 /nfs/dbraw/zinc/78/96/96/754789696.db2.gz RNSZDPGVHLELJF-QAPCUYQASA-N 1 1 341.415 0.845 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001028711433 754792921 /nfs/dbraw/zinc/79/29/21/754792921.db2.gz AWDAREPEWYRABJ-QZTJIDSGSA-N 1 1 333.476 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001009346480 754794511 /nfs/dbraw/zinc/79/45/11/754794511.db2.gz LKSWKTVXKFVNKK-GDBMZVCRSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001009346480 754794516 /nfs/dbraw/zinc/79/45/16/754794516.db2.gz LKSWKTVXKFVNKK-GDBMZVCRSA-N 1 1 345.447 0.628 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)cc1 ZINC001028732936 754902730 /nfs/dbraw/zinc/90/27/30/754902730.db2.gz SYQPPQRRJFWIMR-MRXNPFEDSA-N 1 1 340.427 0.745 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000983224983 754912192 /nfs/dbraw/zinc/91/21/92/754912192.db2.gz XCBSSVUMRQRYKR-NWDGAFQWSA-N 1 1 333.392 0.474 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)c(F)c1 ZINC001028735444 754917495 /nfs/dbraw/zinc/91/74/95/754917495.db2.gz MLTXMCYSJVCPMU-ZFWWWQNUSA-N 1 1 344.390 0.772 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028736358 754920534 /nfs/dbraw/zinc/92/05/34/754920534.db2.gz DHDBQJKWTKNADV-GHMZBOCLSA-N 1 1 330.226 0.469 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028736358 754920542 /nfs/dbraw/zinc/92/05/42/754920542.db2.gz DHDBQJKWTKNADV-GHMZBOCLSA-N 1 1 330.226 0.469 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)c[nH]1 ZINC000990288009 754925933 /nfs/dbraw/zinc/92/59/33/754925933.db2.gz JPCPQNDNLPSREI-QAPCUYQASA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)c[nH]1 ZINC000990288009 754925935 /nfs/dbraw/zinc/92/59/35/754925935.db2.gz JPCPQNDNLPSREI-QAPCUYQASA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(=O)NC2CC2)CC3)[nH]1 ZINC000990279251 754936234 /nfs/dbraw/zinc/93/62/34/754936234.db2.gz YUHMKBNGJOYLBB-YJBOKZPZSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)NC2CC2)CC3)[nH]1 ZINC000990279251 754936239 /nfs/dbraw/zinc/93/62/39/754936239.db2.gz YUHMKBNGJOYLBB-YJBOKZPZSA-N 1 1 341.415 0.892 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC001028743960 754951062 /nfs/dbraw/zinc/95/10/62/754951062.db2.gz FZSMCFPGMPDTOY-AWEZNQCLSA-N 1 1 325.376 0.334 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001028781516 755094678 /nfs/dbraw/zinc/09/46/78/755094678.db2.gz YNKKZGIQWQVPLI-ZDUSSCGKSA-N 1 1 333.436 0.793 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001028781516 755094684 /nfs/dbraw/zinc/09/46/84/755094684.db2.gz YNKKZGIQWQVPLI-ZDUSSCGKSA-N 1 1 333.436 0.793 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC001028793025 755141872 /nfs/dbraw/zinc/14/18/72/755141872.db2.gz PYWQYNKITPVLNO-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccnc(F)c2)C1 ZINC000990428515 755158764 /nfs/dbraw/zinc/15/87/64/755158764.db2.gz YROBYPIKYVUQHG-AWEZNQCLSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccnc(F)c2)C1 ZINC000990428515 755158768 /nfs/dbraw/zinc/15/87/68/755158768.db2.gz YROBYPIKYVUQHG-AWEZNQCLSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001028799786 755163649 /nfs/dbraw/zinc/16/36/49/755163649.db2.gz JDNIUOOUCWPOKY-YESZJQIVSA-N 1 1 347.459 0.618 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001060034942 755169316 /nfs/dbraw/zinc/16/93/16/755169316.db2.gz VCXULEFJVVERAG-ZIAGYGMSSA-N 1 1 328.420 0.372 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001028803430 755172180 /nfs/dbraw/zinc/17/21/80/755172180.db2.gz VQZOWJRQSXZCLR-MJBXVCDLSA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001028803430 755172183 /nfs/dbraw/zinc/17/21/83/755172183.db2.gz VQZOWJRQSXZCLR-MJBXVCDLSA-N 1 1 343.855 0.813 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC001075709918 755197167 /nfs/dbraw/zinc/19/71/67/755197167.db2.gz TYKGEKODTHDLAH-APHBMKBZSA-N 1 1 341.415 0.653 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nccnc3C)C2)nn1 ZINC001028852530 755311557 /nfs/dbraw/zinc/31/15/57/755311557.db2.gz KKXGBBXUZYOKKF-AWEZNQCLSA-N 1 1 341.419 0.814 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001028855093 755316387 /nfs/dbraw/zinc/31/63/87/755316387.db2.gz TYHOVDJAFNJLPA-AWEZNQCLSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)nn1 ZINC001028857457 755322716 /nfs/dbraw/zinc/32/27/16/755322716.db2.gz IJALVDJFCSFZCE-GJZGRUSLSA-N 1 1 333.436 0.942 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001028861201 755329284 /nfs/dbraw/zinc/32/92/84/755329284.db2.gz MRZHTOJZPOPSKP-KBMXLJTQSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001028861201 755329285 /nfs/dbraw/zinc/32/92/85/755329285.db2.gz MRZHTOJZPOPSKP-KBMXLJTQSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001028862879 755334279 /nfs/dbraw/zinc/33/42/79/755334279.db2.gz YOMIGKLKQJAEDA-ZIAGYGMSSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001075964693 755491106 /nfs/dbraw/zinc/49/11/06/755491106.db2.gz GACSDWPIJGPRLT-MELADBBJSA-N 1 1 329.404 0.102 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC001075986542 755570182 /nfs/dbraw/zinc/57/01/82/755570182.db2.gz FGZSQAAWUOHAMD-NWDGAFQWSA-N 1 1 339.417 0.649 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCCC3=O)C2)c1 ZINC001010081196 755634401 /nfs/dbraw/zinc/63/44/01/755634401.db2.gz TUAIZYHGIUWOGK-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3C)[C@H]2C)C1=O ZINC001088784398 755659004 /nfs/dbraw/zinc/65/90/04/755659004.db2.gz XDJKMMZPQOLLRF-VHDGCEQUSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3C)[C@H]2C)C1=O ZINC001088784398 755659007 /nfs/dbraw/zinc/65/90/07/755659007.db2.gz XDJKMMZPQOLLRF-VHDGCEQUSA-N 1 1 331.420 0.698 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088793661 755708304 /nfs/dbraw/zinc/70/83/04/755708304.db2.gz NUYMMVSZLYHMSM-XFJVYGCCSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088793661 755708312 /nfs/dbraw/zinc/70/83/12/755708312.db2.gz NUYMMVSZLYHMSM-XFJVYGCCSA-N 1 1 344.390 0.912 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@@H]12 ZINC000990714909 755726607 /nfs/dbraw/zinc/72/66/07/755726607.db2.gz UMQMGJXNXUMVKM-KUHUBIRLSA-N 1 1 345.443 0.908 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)[C@@H](O)C1 ZINC001083501020 755742518 /nfs/dbraw/zinc/74/25/18/755742518.db2.gz SIAHKGIYBRWFHC-IMJJTQAJSA-N 1 1 337.464 0.761 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CCCCCCC2=O)[C@@H](O)C1 ZINC001083506385 755770350 /nfs/dbraw/zinc/77/03/50/755770350.db2.gz FNYJPJYTRHUQLL-CVEARBPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2NC(C)=O)[C@@H](O)C1 ZINC001083511836 755812405 /nfs/dbraw/zinc/81/24/05/755812405.db2.gz LPRXXTXVQKFPSR-CABCVRRESA-N 1 1 332.404 0.781 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083526167 755921602 /nfs/dbraw/zinc/92/16/02/755921602.db2.gz FFVREGGZEQVMCC-WBVHZDCISA-N 1 1 343.431 0.425 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083526167 755921606 /nfs/dbraw/zinc/92/16/06/755921606.db2.gz FFVREGGZEQVMCC-WBVHZDCISA-N 1 1 343.431 0.425 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001051598320 762432148 /nfs/dbraw/zinc/43/21/48/762432148.db2.gz MQNAUQCWFHHEDH-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)[C@@H](O)C1 ZINC001083534028 755969284 /nfs/dbraw/zinc/96/92/84/755969284.db2.gz XOLYRAHRFYJSRP-CVEARBPZSA-N 1 1 329.400 0.461 20 30 ECEDMO C=CCOCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076034675 756030468 /nfs/dbraw/zinc/03/04/68/756030468.db2.gz YSELTGJDRAMRHU-LSDHHAIUSA-N 1 1 325.453 0.932 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)c1 ZINC001010473925 756164484 /nfs/dbraw/zinc/16/44/84/756164484.db2.gz WJVPJVUWURDQKZ-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)c1 ZINC001010473923 756164501 /nfs/dbraw/zinc/16/45/01/756164501.db2.gz WJVPJVUWURDQKZ-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)c1 ZINC001010497503 756185240 /nfs/dbraw/zinc/18/52/40/756185240.db2.gz LMMRHWNGDQUANF-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)c1 ZINC001076223173 756234554 /nfs/dbraw/zinc/23/45/54/756234554.db2.gz MGZKRODSHNRZQW-BHYGNILZSA-N 1 1 338.411 0.440 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001010618422 756312424 /nfs/dbraw/zinc/31/24/24/756312424.db2.gz AXMIXXLPBPOXGP-HZPDHXFCSA-N 1 1 328.416 0.602 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001010618422 756312430 /nfs/dbraw/zinc/31/24/30/756312430.db2.gz AXMIXXLPBPOXGP-HZPDHXFCSA-N 1 1 328.416 0.602 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1CCC(O)CC1 ZINC001076314942 756343606 /nfs/dbraw/zinc/34/36/06/756343606.db2.gz AJRULXGQRPAFJX-OTBWCIGPSA-N 1 1 349.475 0.646 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1CCC(O)CC1 ZINC001076314942 756343611 /nfs/dbraw/zinc/34/36/11/756343611.db2.gz AJRULXGQRPAFJX-OTBWCIGPSA-N 1 1 349.475 0.646 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cncc(N4CCCC4)n3)[C@@H]2C1 ZINC001076326135 756361391 /nfs/dbraw/zinc/36/13/91/756361391.db2.gz NZYZKIVSAXFKHU-GOEBONIOSA-N 1 1 325.416 0.856 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cncc(N4CCCC4)n3)[C@@H]2C1 ZINC001076326135 756361397 /nfs/dbraw/zinc/36/13/97/756361397.db2.gz NZYZKIVSAXFKHU-GOEBONIOSA-N 1 1 325.416 0.856 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCc1ncc[nH]1 ZINC001076320287 756366768 /nfs/dbraw/zinc/36/67/68/756366768.db2.gz FCYMPKGZVWCJIO-GJZGRUSLSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCc1ncc[nH]1 ZINC001076320287 756366771 /nfs/dbraw/zinc/36/67/71/756366771.db2.gz FCYMPKGZVWCJIO-GJZGRUSLSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nccc(C)n1 ZINC001076334387 756374532 /nfs/dbraw/zinc/37/45/32/756374532.db2.gz SVKKMAJDOVLICY-GJZGRUSLSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nccc(C)n1 ZINC001076334387 756374535 /nfs/dbraw/zinc/37/45/35/756374535.db2.gz SVKKMAJDOVLICY-GJZGRUSLSA-N 1 1 343.431 0.507 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990869246 756435352 /nfs/dbraw/zinc/43/53/52/756435352.db2.gz VXJNYJMBBJILOG-AWEZNQCLSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)(F)F)[C@@H](O)C1 ZINC001083547225 756467834 /nfs/dbraw/zinc/46/78/34/756467834.db2.gz AKOOACDRXQMAQZ-PWSUYJOCSA-N 1 1 332.326 0.796 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076411913 756482530 /nfs/dbraw/zinc/48/25/30/756482530.db2.gz FCTVUXVEDIPNJG-IJEWVQPXSA-N 1 1 329.404 0.094 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076411913 756482533 /nfs/dbraw/zinc/48/25/33/756482533.db2.gz FCTVUXVEDIPNJG-IJEWVQPXSA-N 1 1 329.404 0.094 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076412142 756483073 /nfs/dbraw/zinc/48/30/73/756483073.db2.gz QISASHVYVMLLJL-HLLBOEOZSA-N 1 1 343.431 0.484 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)cn1 ZINC001076477114 756563981 /nfs/dbraw/zinc/56/39/81/756563981.db2.gz QEGAEUVSHFTSLZ-BHYGNILZSA-N 1 1 338.411 0.440 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001076548981 756643816 /nfs/dbraw/zinc/64/38/16/756643816.db2.gz PHXFFCRTXXRQNS-SDDRHHMPSA-N 1 1 340.811 0.260 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001076548981 756643820 /nfs/dbraw/zinc/64/38/20/756643820.db2.gz PHXFFCRTXXRQNS-SDDRHHMPSA-N 1 1 340.811 0.260 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001076548980 756643991 /nfs/dbraw/zinc/64/39/91/756643991.db2.gz PHXFFCRTXXRQNS-QJPTWQEYSA-N 1 1 340.811 0.260 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001076548980 756643994 /nfs/dbraw/zinc/64/39/94/756643994.db2.gz PHXFFCRTXXRQNS-QJPTWQEYSA-N 1 1 340.811 0.260 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001076574109 756662610 /nfs/dbraw/zinc/66/26/10/756662610.db2.gz JOJXEWQZSQNTQL-JSGCOSHPSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001076589721 756696670 /nfs/dbraw/zinc/69/66/70/756696670.db2.gz MMJJREUIXHQIIE-UONOGXRCSA-N 1 1 348.451 0.431 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000990894987 756731996 /nfs/dbraw/zinc/73/19/96/756731996.db2.gz ZTUHNHGBLLXCSO-DZGCQCFKSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCOc1ccc(CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cc1 ZINC001076617194 756739499 /nfs/dbraw/zinc/73/94/99/756739499.db2.gz POTWNFROIASZPK-DOTOQJQBSA-N 1 1 343.427 0.812 20 30 ECEDMO C=CCOc1ccc(CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cc1 ZINC001076617194 756739500 /nfs/dbraw/zinc/73/95/00/756739500.db2.gz POTWNFROIASZPK-DOTOQJQBSA-N 1 1 343.427 0.812 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCOCC3)[C@@H]2C1 ZINC001076644475 756774454 /nfs/dbraw/zinc/77/44/54/756774454.db2.gz OZKBGGQZEPRONO-SOUVJXGZSA-N 1 1 327.856 0.992 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCOCC3)[C@@H]2C1 ZINC001076644475 756774456 /nfs/dbraw/zinc/77/44/56/756774456.db2.gz OZKBGGQZEPRONO-SOUVJXGZSA-N 1 1 327.856 0.992 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2nccnc2C#N)C1 ZINC001060128941 756808922 /nfs/dbraw/zinc/80/89/22/756808922.db2.gz CBZVNILKCJARIQ-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2nccnc2C#N)C1 ZINC001060128941 756808928 /nfs/dbraw/zinc/80/89/28/756808928.db2.gz CBZVNILKCJARIQ-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ncccc2C#N)C1 ZINC001060129908 756826137 /nfs/dbraw/zinc/82/61/37/756826137.db2.gz XOOIAQGUWTVXDR-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ncccc2C#N)C1 ZINC001060129908 756826142 /nfs/dbraw/zinc/82/61/42/756826142.db2.gz XOOIAQGUWTVXDR-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](OC)C2CC2)CC1 ZINC001011070720 756874940 /nfs/dbraw/zinc/87/49/40/756874940.db2.gz QTDDWNGNGBFDKK-HOTGVXAUSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](OC)C2CC2)CC1 ZINC001011070720 756874946 /nfs/dbraw/zinc/87/49/46/756874946.db2.gz QTDDWNGNGBFDKK-HOTGVXAUSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC(=O)N(CCOC)C3)CCC[C@H]12 ZINC000990938867 756926459 /nfs/dbraw/zinc/92/64/59/756926459.db2.gz YGQFZFAXVBNAIR-TXPKVOOTSA-N 1 1 347.459 0.618 20 30 ECEDMO Cn1nccc1CC[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048779238 756965877 /nfs/dbraw/zinc/96/58/77/756965877.db2.gz ROPGMGWOLUNPND-GASCZTMLSA-N 1 1 338.415 0.866 20 30 ECEDMO Cn1nncc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001048796451 757027955 /nfs/dbraw/zinc/02/79/55/757027955.db2.gz QKXOJVBXPQJCLY-IYBDPMFKSA-N 1 1 336.399 0.891 20 30 ECEDMO CO[C@H](C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1)C1CCC1 ZINC001107149783 757053279 /nfs/dbraw/zinc/05/32/79/757053279.db2.gz QPBPWVDEYSNLAL-BLLLJJGKSA-N 1 1 346.435 0.726 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001048810213 757067490 /nfs/dbraw/zinc/06/74/90/757067490.db2.gz INWARVHINZMGEE-OAGGEKHMSA-N 1 1 336.457 0.225 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001048813422 757076747 /nfs/dbraw/zinc/07/67/47/757076747.db2.gz BOTLWNMRPODEOI-IKGGRYGDSA-N 1 1 349.475 0.550 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@H]2C1 ZINC001048818872 757098795 /nfs/dbraw/zinc/09/87/95/757098795.db2.gz VTMNSLRHXUXDKI-KFWWJZLASA-N 1 1 343.431 0.729 20 30 ECEDMO C=CCOCCCC(=O)NCc1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001107153156 757115603 /nfs/dbraw/zinc/11/56/03/757115603.db2.gz VKLVWIGLMDOBSI-CYBMUJFWSA-N 1 1 337.424 0.115 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@H]2C1 ZINC001048849317 757177678 /nfs/dbraw/zinc/17/76/78/757177678.db2.gz FZPSJRQZOKYVHY-GASCZTMLSA-N 1 1 341.477 0.378 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCc1cn(C2C[NH+](CCCOC)C2)nn1 ZINC001107163967 757198272 /nfs/dbraw/zinc/19/82/72/757198272.db2.gz JVFFWMFTZMGMNP-MRXNPFEDSA-N 1 1 337.424 0.115 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001011217071 757205277 /nfs/dbraw/zinc/20/52/77/757205277.db2.gz BHQJFEXJVBCMBO-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001011217071 757205283 /nfs/dbraw/zinc/20/52/83/757205283.db2.gz BHQJFEXJVBCMBO-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO CC(C)C#CC(=O)NCc1cn(C2C[NH+](CCC[C@@H](C)O)C2)nn1 ZINC001107169788 757208114 /nfs/dbraw/zinc/20/81/14/757208114.db2.gz SXTXEMCJCCIKOA-CQSZACIVSA-N 1 1 333.436 0.571 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3nnc(C)o3)nn2)C1 ZINC001107167023 757231356 /nfs/dbraw/zinc/23/13/56/757231356.db2.gz GPFZKKXAIQYRLN-UHFFFAOYSA-N 1 1 331.380 0.261 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3csnn3)C[C@H]2C1 ZINC001048868882 757234565 /nfs/dbraw/zinc/23/45/65/757234565.db2.gz PWVMVKOIBFIIBA-LZWOXQAQSA-N 1 1 345.472 0.526 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3csnn3)C[C@H]2C1 ZINC001048868882 757234572 /nfs/dbraw/zinc/23/45/72/757234572.db2.gz PWVMVKOIBFIIBA-LZWOXQAQSA-N 1 1 345.472 0.526 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001048873402 757250064 /nfs/dbraw/zinc/25/00/64/757250064.db2.gz FIPJZTBJOXUYOQ-GJZGRUSLSA-N 1 1 332.404 0.025 20 30 ECEDMO C=CCCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001048873826 757250560 /nfs/dbraw/zinc/25/05/60/757250560.db2.gz MCLZYTKEPOCHLA-PMPSAXMXSA-N 1 1 349.475 0.715 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CN(C)C(=O)C(C)C)nn2)C1 ZINC001107176681 757255985 /nfs/dbraw/zinc/25/59/85/757255985.db2.gz HXSMZSFONYUONF-UHFFFAOYSA-N 1 1 348.451 0.442 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1O ZINC001076812722 757258835 /nfs/dbraw/zinc/25/88/35/757258835.db2.gz RKLLFHRVFPWBNN-BRWVUGGUSA-N 1 1 346.406 0.453 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001051636210 762534573 /nfs/dbraw/zinc/53/45/73/762534573.db2.gz CNXFPUNGOKBLIP-ZDUSSCGKSA-N 1 1 341.843 0.911 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12 ZINC000990998621 757305906 /nfs/dbraw/zinc/30/59/06/757305906.db2.gz PFCLHOVYNYLAEH-ZBFHGGJFSA-N 1 1 341.477 0.711 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2c2cncc(C#N)n2)C1 ZINC001060144233 757324552 /nfs/dbraw/zinc/32/45/52/757324552.db2.gz BXDMDZTVPFYYSQ-DZGCQCFKSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@H]2C1 ZINC001048898368 757335443 /nfs/dbraw/zinc/33/54/43/757335443.db2.gz QMMGIKUQYHHRIH-GASCZTMLSA-N 1 1 336.395 0.722 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2c2nccnc2C#N)C1 ZINC001060144897 757364542 /nfs/dbraw/zinc/36/45/42/757364542.db2.gz JVNJILWNJKDEAA-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)nn1 ZINC001021404003 757398083 /nfs/dbraw/zinc/39/80/83/757398083.db2.gz MESOCBAISISOAE-FUDCBSFHSA-N 1 1 346.435 0.453 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)cn1 ZINC001011281971 757400141 /nfs/dbraw/zinc/40/01/41/757400141.db2.gz GMNJXELEFOPBJU-UHFFFAOYSA-N 1 1 340.427 0.832 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@H]2C1 ZINC001048924246 757426824 /nfs/dbraw/zinc/42/68/24/757426824.db2.gz XMKSTUISAXPWSB-KFWWJZLASA-N 1 1 326.462 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2coc(OCC)n2)C1 ZINC000996376141 757485971 /nfs/dbraw/zinc/48/59/71/757485971.db2.gz PKDPAKGJUDLQFQ-AWEZNQCLSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2coc(OCC)n2)C1 ZINC000996376141 757485974 /nfs/dbraw/zinc/48/59/74/757485974.db2.gz PKDPAKGJUDLQFQ-AWEZNQCLSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001011314854 757491760 /nfs/dbraw/zinc/49/17/60/757491760.db2.gz OFOBEEZQIIIXGT-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O ZINC001048966307 757540007 /nfs/dbraw/zinc/54/00/07/757540007.db2.gz KOWAWQKYXBKWCQ-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C2)CCC1 ZINC001048976823 757577954 /nfs/dbraw/zinc/57/79/54/757577954.db2.gz HKMJZRSINGTHHC-HOTGVXAUSA-N 1 1 349.475 0.550 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC001021552805 757596468 /nfs/dbraw/zinc/59/64/68/757596468.db2.gz BNHSZAOMJVXXAG-ZFWWWQNUSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000996444206 757618153 /nfs/dbraw/zinc/61/81/53/757618153.db2.gz VYWUKOSFIRNIEU-QRTARXTBSA-N 1 1 335.448 0.636 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@@H+](CCN3CCNC3=O)CC[C@H]21 ZINC001021581260 757635791 /nfs/dbraw/zinc/63/57/91/757635791.db2.gz OFEBKFCEVYLPSR-DLBZAZTESA-N 1 1 344.459 0.738 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021580060 757635828 /nfs/dbraw/zinc/63/58/28/757635828.db2.gz BMCCQBPMHJBNNZ-JKSUJKDBSA-N 1 1 338.473 0.757 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021580060 757635836 /nfs/dbraw/zinc/63/58/36/757635836.db2.gz BMCCQBPMHJBNNZ-JKSUJKDBSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)C[N@@H+](C)C(C)C)nn1 ZINC001076925647 757639367 /nfs/dbraw/zinc/63/93/67/757639367.db2.gz SQUBASYKLRTCLS-ZDUSSCGKSA-N 1 1 336.440 0.429 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001021613118 757686040 /nfs/dbraw/zinc/68/60/40/757686040.db2.gz IRHSRDUBHJFKLV-RDJZCZTQSA-N 1 1 340.427 0.669 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001021620922 757696100 /nfs/dbraw/zinc/69/61/00/757696100.db2.gz YAHOJKKSYMVJEQ-HOTGVXAUSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C(N)=O)cn2C)C1 ZINC001021623739 757701751 /nfs/dbraw/zinc/70/17/51/757701751.db2.gz PRTFVEVWDBMXLR-HIFRSBDPSA-N 1 1 328.416 0.684 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021632060 757713010 /nfs/dbraw/zinc/71/30/10/757713010.db2.gz FTSLIIJMUBLTQA-CVEARBPZSA-N 1 1 347.463 0.861 20 30 ECEDMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001049020069 757714700 /nfs/dbraw/zinc/71/47/00/757714700.db2.gz XAVWQWJQFGPLOU-IXDOHACOSA-N 1 1 338.411 0.110 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)CC1 ZINC001049028770 757738025 /nfs/dbraw/zinc/73/80/25/757738025.db2.gz KPCLMNKUYHSSIR-XHSDSOJGSA-N 1 1 345.443 0.928 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021661688 757753367 /nfs/dbraw/zinc/75/33/67/757753367.db2.gz RAMVCWPQQXUJHY-CJNGLKHVSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021661688 757753372 /nfs/dbraw/zinc/75/33/72/757753372.db2.gz RAMVCWPQQXUJHY-CJNGLKHVSA-N 1 1 344.390 0.996 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]3C2)c1 ZINC001049048053 757776414 /nfs/dbraw/zinc/77/64/14/757776414.db2.gz XYQSHBPFQMBKFK-WQVCFCJDSA-N 1 1 326.400 0.201 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021690882 757787271 /nfs/dbraw/zinc/78/72/71/757787271.db2.gz LBANWCFABTWLRJ-ZFWWWQNUSA-N 1 1 333.432 0.928 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC/C=C\CNc1ccnc(C#N)n1 ZINC001107219788 757837001 /nfs/dbraw/zinc/83/70/01/757837001.db2.gz YHSSNYBGHOKRJN-LQOBQMSGSA-N 1 1 328.420 0.727 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3ncccn3)nn2)C1 ZINC001107221222 757857680 /nfs/dbraw/zinc/85/76/80/757857680.db2.gz NDHVDNIKSATPOW-UHFFFAOYSA-N 1 1 341.419 0.750 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001076997914 757869375 /nfs/dbraw/zinc/86/93/75/757869375.db2.gz LZJJQPWNRFZASA-HZPDHXFCSA-N 1 1 332.404 0.033 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049069218 757872709 /nfs/dbraw/zinc/87/27/09/757872709.db2.gz PKMRVNUVFOTHDZ-LEOABGAYSA-N 1 1 333.432 0.198 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2C1 ZINC001049069797 757875708 /nfs/dbraw/zinc/87/57/08/757875708.db2.gz QXABHAUYQHYPKT-WTTBNOFXSA-N 1 1 330.432 0.901 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021733528 757878355 /nfs/dbraw/zinc/87/83/55/757878355.db2.gz OTMDMMKFZDCYKI-HIFRSBDPSA-N 1 1 346.431 0.989 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(S(C)(=O)=O)o3)C[C@H]2C1 ZINC001049092900 757942326 /nfs/dbraw/zinc/94/23/26/757942326.db2.gz PSSSVFJGAWUHOR-BETUJISGSA-N 1 1 336.413 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC2(C)CC2)C1 ZINC001049101629 757961025 /nfs/dbraw/zinc/96/10/25/757961025.db2.gz PWDLCXJWZRISEK-JYJNAYRXSA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC2(C)CC2)C1 ZINC001049101629 757961033 /nfs/dbraw/zinc/96/10/33/757961033.db2.gz PWDLCXJWZRISEK-JYJNAYRXSA-N 1 1 347.459 0.304 20 30 ECEDMO C=CCCCN1CC(n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001107229106 757990349 /nfs/dbraw/zinc/99/03/49/757990349.db2.gz CHBAXVZJTJXGSS-UHFFFAOYSA-N 1 1 344.463 0.813 20 30 ECEDMO C=CCCN1CC(n2cc(CNC(=O)C[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107229103 757990590 /nfs/dbraw/zinc/99/05/90/757990590.db2.gz CEMBGPTVUFJVLQ-CQSZACIVSA-N 1 1 332.452 0.669 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001107229742 757992991 /nfs/dbraw/zinc/99/29/91/757992991.db2.gz QEVPTBLPYDGUKB-CQSZACIVSA-N 1 1 330.436 0.116 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)CC2(CCOCC2)C1 ZINC001099562039 757996272 /nfs/dbraw/zinc/99/62/72/757996272.db2.gz NCRROIPHCBEYAH-AWEZNQCLSA-N 1 1 338.452 0.608 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001077051828 758042978 /nfs/dbraw/zinc/04/29/78/758042978.db2.gz JILLMOAZGWDMOH-MWLCHTKSSA-N 1 1 332.326 0.790 20 30 ECEDMO C=CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](C[C@@H](C)OC)C2)nn1 ZINC001107241416 758044758 /nfs/dbraw/zinc/04/47/58/758044758.db2.gz UHLUAEUMNYWYAC-OLZOCXBDSA-N 1 1 337.424 0.377 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001077065026 758075156 /nfs/dbraw/zinc/07/51/56/758075156.db2.gz YEQNRCWJHRAHLO-HUUCEWRRSA-N 1 1 326.352 0.591 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001021946210 758089911 /nfs/dbraw/zinc/08/99/11/758089911.db2.gz JHKQZLOHIFTBKK-TXEJJXNPSA-N 1 1 342.407 0.678 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2cccc3OC)C1 ZINC001077082589 758115119 /nfs/dbraw/zinc/11/51/19/758115119.db2.gz QWEXYCAGUVCRSV-UKRRQHHQSA-N 1 1 330.388 0.694 20 30 ECEDMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C1CC1 ZINC001021980982 758124238 /nfs/dbraw/zinc/12/42/38/758124238.db2.gz GAZSOZHCHFCYJT-ZMLRMANQSA-N 1 1 340.391 0.819 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001060159117 758172035 /nfs/dbraw/zinc/17/20/35/758172035.db2.gz XXSNLKHVUNMHCO-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001060159117 758172041 /nfs/dbraw/zinc/17/20/41/758172041.db2.gz XXSNLKHVUNMHCO-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001077102586 758183764 /nfs/dbraw/zinc/18/37/64/758183764.db2.gz QTKHXWMJNSGLMA-UKRRQHHQSA-N 1 1 328.376 0.013 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001077102586 758183770 /nfs/dbraw/zinc/18/37/70/758183770.db2.gz QTKHXWMJNSGLMA-UKRRQHHQSA-N 1 1 328.376 0.013 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(N4CCCC4)nn3)C[C@H]2C1 ZINC001049166061 758192528 /nfs/dbraw/zinc/19/25/28/758192528.db2.gz MGBQAJKMNJFXKH-GASCZTMLSA-N 1 1 325.416 0.714 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@H]2C1 ZINC001049166288 758194758 /nfs/dbraw/zinc/19/47/58/758194758.db2.gz VFGCMFLBXUVZHW-GASCZTMLSA-N 1 1 338.415 0.837 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@H]2C1 ZINC001049166288 758194767 /nfs/dbraw/zinc/19/47/67/758194767.db2.gz VFGCMFLBXUVZHW-GASCZTMLSA-N 1 1 338.415 0.837 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@H]2C1 ZINC001049166288 758194775 /nfs/dbraw/zinc/19/47/75/758194775.db2.gz VFGCMFLBXUVZHW-GASCZTMLSA-N 1 1 338.415 0.837 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]2C1 ZINC001049170074 758206114 /nfs/dbraw/zinc/20/61/14/758206114.db2.gz CFHHTUJZLOYHIT-BETUJISGSA-N 1 1 342.403 0.388 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnsn3)CCC[C@@H]12 ZINC001107294885 758215346 /nfs/dbraw/zinc/21/53/46/758215346.db2.gz IJUWBNUOMCIMKF-IUODEOHRSA-N 1 1 348.432 0.152 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@H]2C1 ZINC001049177563 758232137 /nfs/dbraw/zinc/23/21/37/758232137.db2.gz FMOOQCFCZROHMU-OKILXGFUSA-N 1 1 337.379 0.597 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001077117157 758232477 /nfs/dbraw/zinc/23/24/77/758232477.db2.gz OPBAJFHRCYAOGV-KBRIMQKVSA-N 1 1 330.432 0.709 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]3C2)nc1 ZINC001049177949 758234342 /nfs/dbraw/zinc/23/43/42/758234342.db2.gz VXMXFFGMCZWMIY-IJEWVQPXSA-N 1 1 326.400 0.331 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]3C2)cn1 ZINC001049179407 758237582 /nfs/dbraw/zinc/23/75/82/758237582.db2.gz VMEVSJGKUOONPQ-IJEWVQPXSA-N 1 1 326.400 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnnc(C)c1 ZINC001077123725 758249296 /nfs/dbraw/zinc/24/92/96/758249296.db2.gz AIVHKBKVLMYPND-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnnc(C)c1 ZINC001077123725 758249306 /nfs/dbraw/zinc/24/93/06/758249306.db2.gz AIVHKBKVLMYPND-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cnn(C)c1 ZINC001077123737 758249919 /nfs/dbraw/zinc/24/99/19/758249919.db2.gz ATXTYVQDGKYDKV-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cnn(C)c1 ZINC001077123737 758249928 /nfs/dbraw/zinc/24/99/28/758249928.db2.gz ATXTYVQDGKYDKV-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)COCCC)CCC[C@@H]12 ZINC001107317818 758255747 /nfs/dbraw/zinc/25/57/47/758255747.db2.gz CHGMBNWMFKBTSW-CRAIPNDOSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCOC(C)C ZINC001077124272 758282627 /nfs/dbraw/zinc/28/26/27/758282627.db2.gz QAKNHEJQGXOSLZ-HOTGVXAUSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCOC(C)C ZINC001077124272 758282636 /nfs/dbraw/zinc/28/26/36/758282636.db2.gz QAKNHEJQGXOSLZ-HOTGVXAUSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1n[nH]cc1C ZINC001077124220 758282675 /nfs/dbraw/zinc/28/26/75/758282675.db2.gz NMPXNOWTBGSQPS-KBPBESRZSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1n[nH]cc1C ZINC001077124220 758282689 /nfs/dbraw/zinc/28/26/89/758282689.db2.gz NMPXNOWTBGSQPS-KBPBESRZSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cncn1C ZINC001077125111 758288594 /nfs/dbraw/zinc/28/85/94/758288594.db2.gz NVCCXTJVSDCPGA-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cncn1C ZINC001077125111 758288600 /nfs/dbraw/zinc/28/86/00/758288600.db2.gz NVCCXTJVSDCPGA-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccn(C)n1 ZINC001077125316 758291236 /nfs/dbraw/zinc/29/12/36/758291236.db2.gz RQCFCVVCFNNGQF-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccn(C)n1 ZINC001077125316 758291245 /nfs/dbraw/zinc/29/12/45/758291245.db2.gz RQCFCVVCFNNGQF-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001077149681 758348975 /nfs/dbraw/zinc/34/89/75/758348975.db2.gz SMVNJEUOFWQRSE-ZIAGYGMSSA-N 1 1 333.388 0.594 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ocnc3C)CCC[C@@H]12 ZINC001107347606 758363152 /nfs/dbraw/zinc/36/31/52/758363152.db2.gz YHRQNJNMRZPYAP-RDTXWAMCSA-N 1 1 344.415 0.707 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOC(C)C)CC2 ZINC001107374553 758400557 /nfs/dbraw/zinc/40/05/57/758400557.db2.gz WOZKASRQHFULPF-VQIMIIECSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](CC)OC)CC2 ZINC001107374479 758400689 /nfs/dbraw/zinc/40/06/89/758400689.db2.gz UKZDBNLSHLVCHF-FRQCXROJSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4nonc4C)C[C@H]3C2)C1=O ZINC001049249269 758434095 /nfs/dbraw/zinc/43/40/95/758434095.db2.gz NOWACRBKGDIUTG-MJBXVCDLSA-N 1 1 345.403 0.169 20 30 ECEDMO CC(C)[C@@H](O)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107391184 758438708 /nfs/dbraw/zinc/43/87/08/758438708.db2.gz WAQJLMKHSWYZPG-FRFSOERESA-N 1 1 336.436 0.004 20 30 ECEDMO CNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12 ZINC001107398407 758465144 /nfs/dbraw/zinc/46/51/44/758465144.db2.gz SXFDZSUBOITKCC-RDTXWAMCSA-N 1 1 346.431 0.216 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001049276357 758467056 /nfs/dbraw/zinc/46/70/56/758467056.db2.gz REHRHKOPLKNYIJ-JYJNAYRXSA-N 1 1 339.480 0.959 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncn1C)CC2 ZINC001107401461 758498539 /nfs/dbraw/zinc/49/85/39/758498539.db2.gz PHKDCGHWSALFEO-HDMKZQKVSA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncn1C)CC2 ZINC001107401461 758498547 /nfs/dbraw/zinc/49/85/47/758498547.db2.gz PHKDCGHWSALFEO-HDMKZQKVSA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCOCC#C)CCC[C@@H]12 ZINC001107401284 758498560 /nfs/dbraw/zinc/49/85/60/758498560.db2.gz GBPGWSPATUKCFF-VQIMIIECSA-N 1 1 345.443 0.137 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnnn1C)CC2 ZINC001107401180 758498674 /nfs/dbraw/zinc/49/86/74/758498674.db2.gz AUSKCPCFPCIVNN-YXJHDRRASA-N 1 1 345.447 0.714 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NS(=O)(=O)CC)CCC[C@@H]12 ZINC001107414952 758530978 /nfs/dbraw/zinc/53/09/78/758530978.db2.gz VMANBJCGYKSIPR-IIAWOOMASA-N 1 1 343.493 0.861 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)CNC(=O)NC)CCC[C@@H]12 ZINC001107428964 758546369 /nfs/dbraw/zinc/54/63/69/758546369.db2.gz OELQOMOMYAFJAV-RHSMWYFYSA-N 1 1 338.452 0.479 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@@H]1O ZINC001049356324 758560647 /nfs/dbraw/zinc/56/06/47/758560647.db2.gz VXVYBQKQRSBUDY-BXWFABGCSA-N 1 1 349.475 0.859 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(c4ccnc(C#N)n4)C[C@H]3C2)C1 ZINC001049383910 758607238 /nfs/dbraw/zinc/60/72/38/758607238.db2.gz GZQGODAUTSQUCA-KFWWJZLASA-N 1 1 340.431 0.585 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001049395397 758626020 /nfs/dbraw/zinc/62/60/20/758626020.db2.gz VCAMCPTZYXUJCP-QEJZJMRPSA-N 1 1 347.419 0.162 20 30 ECEDMO N#Cc1ccc(F)cc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780107 758633200 /nfs/dbraw/zinc/63/32/00/758633200.db2.gz VYBATELOAPOMHJ-SJORKVTESA-N 1 1 346.406 0.766 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C#N)c[nH]1 ZINC001049401973 758636035 /nfs/dbraw/zinc/63/60/35/758636035.db2.gz PCELQGAQPQXEBX-HOTGVXAUSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C#N)c[nH]1 ZINC001049401973 758636036 /nfs/dbraw/zinc/63/60/36/758636036.db2.gz PCELQGAQPQXEBX-HOTGVXAUSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C#N)c[nH]1 ZINC001049401972 758636061 /nfs/dbraw/zinc/63/60/61/758636061.db2.gz PCELQGAQPQXEBX-CVEARBPZSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C#N)c[nH]1 ZINC001049401972 758636063 /nfs/dbraw/zinc/63/60/63/758636063.db2.gz PCELQGAQPQXEBX-CVEARBPZSA-N 1 1 339.403 0.894 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001022423625 758702790 /nfs/dbraw/zinc/70/27/90/758702790.db2.gz GQZONGNWRMSPLZ-YESZJQIVSA-N 1 1 329.444 0.943 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001049449626 758721498 /nfs/dbraw/zinc/72/14/98/758721498.db2.gz IESYPYZJFXRRSB-LDDOYCOJSA-N 1 1 337.464 0.713 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001049450518 758725297 /nfs/dbraw/zinc/72/52/97/758725297.db2.gz ZTALSAZECMBBOM-MPGHIAIKSA-N 1 1 339.480 0.959 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC001049466803 758762624 /nfs/dbraw/zinc/76/26/24/758762624.db2.gz KCANZQARAPARMQ-GJZGRUSLSA-N 1 1 344.415 0.017 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001049528071 758865867 /nfs/dbraw/zinc/86/58/67/758865867.db2.gz BQYWBMHBXMCVQQ-ULQDDVLXSA-N 1 1 346.475 0.238 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC001011902632 758909696 /nfs/dbraw/zinc/90/96/96/758909696.db2.gz GJPHDZHUGYIIGZ-JSGCOSHPSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001049559523 758921758 /nfs/dbraw/zinc/92/17/58/758921758.db2.gz XKOYDLBDPDDMCH-BFHYXJOUSA-N 1 1 329.404 0.245 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001049569536 758936229 /nfs/dbraw/zinc/93/62/29/758936229.db2.gz ZDOSTSCJVBAZMI-NEPJUHHUSA-N 1 1 337.401 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001049571780 758942041 /nfs/dbraw/zinc/94/20/41/758942041.db2.gz HANNLAUSXAHVHL-CABCVRRESA-N 1 1 340.383 0.725 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049579652 758957147 /nfs/dbraw/zinc/95/71/47/758957147.db2.gz MKSWEEZQLGMMSU-CABCVRRESA-N 1 1 346.431 0.980 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cc(C)ccc3O2)C1 ZINC001077385829 758970869 /nfs/dbraw/zinc/97/08/69/758970869.db2.gz KXJVPWKJDPUOIA-JFIYKMOQSA-N 1 1 328.412 0.873 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049610895 758991120 /nfs/dbraw/zinc/99/11/20/758991120.db2.gz GKKVJFWWKCOOGY-GJZGRUSLSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cncn2)nc1 ZINC001049629887 759016846 /nfs/dbraw/zinc/01/68/46/759016846.db2.gz MWHBLASDYBFQPN-JKSUJKDBSA-N 1 1 336.399 0.974 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049692675 759107604 /nfs/dbraw/zinc/10/76/04/759107604.db2.gz UGIZFLKCBJOKFN-GJZGRUSLSA-N 1 1 342.399 0.617 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049692675 759107609 /nfs/dbraw/zinc/10/76/09/759107609.db2.gz UGIZFLKCBJOKFN-GJZGRUSLSA-N 1 1 342.399 0.617 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nnc2c1CCCC2 ZINC001049726303 759137307 /nfs/dbraw/zinc/13/73/07/759137307.db2.gz CWMMMSDBUDKPCR-SJORKVTESA-N 1 1 327.432 0.855 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccc(-n3ccnc3)n2)[C@@H](O)C1 ZINC001083590746 759143860 /nfs/dbraw/zinc/14/38/60/759143860.db2.gz SWGWUYSIUNJWLQ-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3ccnc3)n2)[C@@H](O)C1 ZINC001083590746 759143863 /nfs/dbraw/zinc/14/38/63/759143863.db2.gz SWGWUYSIUNJWLQ-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001049732489 759144887 /nfs/dbraw/zinc/14/48/87/759144887.db2.gz NOEMBQBXBCFXNS-FPCVCCKLSA-N 1 1 335.448 0.731 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)NC ZINC001049777502 759192245 /nfs/dbraw/zinc/19/22/45/759192245.db2.gz INGYEVUWJSHQEK-JKQORVJESA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)NC ZINC001049777502 759192248 /nfs/dbraw/zinc/19/22/48/759192248.db2.gz INGYEVUWJSHQEK-JKQORVJESA-N 1 1 335.448 0.779 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049780087 759195709 /nfs/dbraw/zinc/19/57/09/759195709.db2.gz YXKFCMDCGZMUDJ-NTXUUIFSSA-N 1 1 344.415 0.063 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049780099 759195744 /nfs/dbraw/zinc/19/57/44/759195744.db2.gz ZBMWRBVERKZTEC-NTXUUIFSSA-N 1 1 344.415 0.063 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001049780535 759197088 /nfs/dbraw/zinc/19/70/88/759197088.db2.gz IDDRJKQFNPBHPT-RBSFLKMASA-N 1 1 339.461 0.109 20 30 ECEDMO N#Cc1ccc(CN2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)s1 ZINC001030348564 762697436 /nfs/dbraw/zinc/69/74/36/762697436.db2.gz UYBIESMGMUMJEW-CJNGLKHVSA-N 1 1 346.456 0.783 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049788541 759210158 /nfs/dbraw/zinc/21/01/58/759210158.db2.gz NXRPNCMQDAMIJB-HUUCEWRRSA-N 1 1 344.415 0.015 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049853262 759304115 /nfs/dbraw/zinc/30/41/15/759304115.db2.gz BMWMMDYTZKSACG-JKSUJKDBSA-N 1 1 329.400 0.765 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C(=O)NC)n1 ZINC001049875349 759331948 /nfs/dbraw/zinc/33/19/48/759331948.db2.gz IWCAKSYGQHEQBN-HOTGVXAUSA-N 1 1 326.400 0.753 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001054239737 767851887 /nfs/dbraw/zinc/85/18/87/767851887.db2.gz SUGXNPAYDCRNIB-SFHVURJKSA-N 1 1 346.431 0.990 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001032168440 759349515 /nfs/dbraw/zinc/34/95/15/759349515.db2.gz CYNWVMQUPNSZFG-AWEZNQCLSA-N 1 1 330.388 0.236 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001047635207 759363857 /nfs/dbraw/zinc/36/38/57/759363857.db2.gz UVSDXNLDGYSZIQ-YESZJQIVSA-N 1 1 337.464 0.177 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001047638637 759376500 /nfs/dbraw/zinc/37/65/00/759376500.db2.gz CHGQEOAPBTVXJY-ILXRZTDVSA-N 1 1 333.436 0.310 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cncc(C(N)=O)c1 ZINC001049901151 759380531 /nfs/dbraw/zinc/38/05/31/759380531.db2.gz XIZSRHQNLNRONK-CVEARBPZSA-N 1 1 326.400 0.883 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001047640474 759384011 /nfs/dbraw/zinc/38/40/11/759384011.db2.gz RLICRHJHEJZILP-KBPBESRZSA-N 1 1 327.388 0.775 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001047640474 759384021 /nfs/dbraw/zinc/38/40/21/759384021.db2.gz RLICRHJHEJZILP-KBPBESRZSA-N 1 1 327.388 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1nc(C2CC2)nn1C ZINC001049903752 759385041 /nfs/dbraw/zinc/38/50/41/759385041.db2.gz KJOINCMGTWUSPC-CABCVRRESA-N 1 1 327.432 0.934 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nc(C)ccc1=O ZINC001089890094 759390992 /nfs/dbraw/zinc/39/09/92/759390992.db2.gz QOFDVAPNOOKRRI-NXOAAHMSSA-N 1 1 342.443 0.907 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC001047644999 759393830 /nfs/dbraw/zinc/39/38/30/759393830.db2.gz ZBVASZUUFJXXMX-ROUUACIJSA-N 1 1 343.427 0.810 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C(C)(C)C)nc2)C1 ZINC001047648175 759405054 /nfs/dbraw/zinc/40/50/54/759405054.db2.gz RSHCPSRLCILDOK-GJZGRUSLSA-N 1 1 330.432 0.915 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001047648542 759405781 /nfs/dbraw/zinc/40/57/81/759405781.db2.gz QWTIOAXJIAJYID-GJZGRUSLSA-N 1 1 332.404 0.264 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001047649136 759408377 /nfs/dbraw/zinc/40/83/77/759408377.db2.gz QMCIBFSYFBFXJH-GQGLESIBSA-N 1 1 337.464 0.761 20 30 ECEDMO COC[C@@H](O)C[NH+]1CC(OC2CCN(C(=O)C#CC(C)C)CC2)C1 ZINC001105707302 759560049 /nfs/dbraw/zinc/56/00/49/759560049.db2.gz VMJQRIJYZAZKQD-HNNXBMFYSA-N 1 1 338.448 0.345 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001050025892 759566075 /nfs/dbraw/zinc/56/60/75/759566075.db2.gz JRBCTMUPMYFUPT-HEHGZKQESA-N 1 1 343.431 0.899 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001050026375 759567331 /nfs/dbraw/zinc/56/73/31/759567331.db2.gz CEWSMGCMQZWTGS-NWDGAFQWSA-N 1 1 325.800 0.659 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001050026375 759567336 /nfs/dbraw/zinc/56/73/36/759567336.db2.gz CEWSMGCMQZWTGS-NWDGAFQWSA-N 1 1 325.800 0.659 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC001127027631 759584497 /nfs/dbraw/zinc/58/44/97/759584497.db2.gz WKNYHUSOKIAFBW-UHFFFAOYSA-N 1 1 327.388 0.513 20 30 ECEDMO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@@H]1CCc2nncn2C1 ZINC001032204283 759608832 /nfs/dbraw/zinc/60/88/32/759608832.db2.gz OXRPUYBTHNGDSN-GOSISDBHSA-N 1 1 349.438 0.940 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001050061254 759636142 /nfs/dbraw/zinc/63/61/42/759636142.db2.gz KNEXMXRWYFAFDN-YESZJQIVSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3COCCN3C)cc2C1 ZINC001054261553 767879073 /nfs/dbraw/zinc/87/90/73/767879073.db2.gz IPYMKJNLHNBGJB-SFHVURJKSA-N 1 1 327.428 0.972 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001050078259 759664578 /nfs/dbraw/zinc/66/45/78/759664578.db2.gz MRZGRVJNOHQPNZ-MELADBBJSA-N 1 1 329.404 0.102 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1ccc(C#N)cn1 ZINC001050105402 759713480 /nfs/dbraw/zinc/71/34/80/759713480.db2.gz CPIQNYIESSZUKQ-VHDGCEQUSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1ccc(C#N)cn1 ZINC001050105402 759713484 /nfs/dbraw/zinc/71/34/84/759713484.db2.gz CPIQNYIESSZUKQ-VHDGCEQUSA-N 1 1 329.404 0.367 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CN(C(=O)c3cnc(C)[nH]3)CC2(C)C)C1=O ZINC000995547375 759762665 /nfs/dbraw/zinc/76/26/65/759762665.db2.gz JQMJHTRNCUQCPH-HIFRSBDPSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2C1 ZINC001054284450 767895068 /nfs/dbraw/zinc/89/50/68/767895068.db2.gz SSQBREAICDQMJD-HNNXBMFYSA-N 1 1 342.399 0.793 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(C)c(=O)n(C)c3=O)[C@@H]2C1 ZINC001050152920 759812261 /nfs/dbraw/zinc/81/22/61/759812261.db2.gz JZBYQLCBEYIRQS-DZGCQCFKSA-N 1 1 346.431 0.197 20 30 ECEDMO C=CCn1cc(C(=O)NCc2ccc3c(c2)C[N@H+](CCO)C3)nn1 ZINC001054285249 767894695 /nfs/dbraw/zinc/89/46/95/767894695.db2.gz ZGWULRHWBWDMCR-UHFFFAOYSA-N 1 1 327.388 0.702 20 30 ECEDMO C=CCn1cc(C(=O)NCc2ccc3c(c2)C[N@@H+](CCO)C3)nn1 ZINC001054285249 767894703 /nfs/dbraw/zinc/89/47/03/767894703.db2.gz ZGWULRHWBWDMCR-UHFFFAOYSA-N 1 1 327.388 0.702 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(-n4cncn4)n3)[C@@H]2C1 ZINC001050174257 759864506 /nfs/dbraw/zinc/86/45/06/759864506.db2.gz NWRCHWPMNHOFQF-GOEBONIOSA-N 1 1 336.399 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH2+]Cc3nnn(C)n3)C2)cn1 ZINC001048034995 759864996 /nfs/dbraw/zinc/86/49/96/759864996.db2.gz QYTWJOYIDSIESV-GXTWGEPZSA-N 1 1 339.403 0.227 20 30 ECEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054292020 767900389 /nfs/dbraw/zinc/90/03/89/767900389.db2.gz PIAYHSXGOQALSK-MRXNPFEDSA-N 1 1 349.456 0.886 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 ZINC001050193423 759911300 /nfs/dbraw/zinc/91/13/00/759911300.db2.gz JYQUHMLBAGBGAA-LSDHHAIUSA-N 1 1 333.436 0.389 20 30 ECEDMO NC(=O)N1CCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032226378 759955811 /nfs/dbraw/zinc/95/58/11/759955811.db2.gz GTVCTVFIWJVAJC-KRWDZBQOSA-N 1 1 340.427 0.629 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3cc(C(N)=O)ccn3)C2)c1 ZINC001032233462 759998641 /nfs/dbraw/zinc/99/86/41/759998641.db2.gz HNZXMEUPWCDUKA-UHFFFAOYSA-N 1 1 349.394 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001050231671 760001941 /nfs/dbraw/zinc/00/19/41/760001941.db2.gz UPXZUPISQZYVRZ-ZIAGYGMSSA-N 1 1 346.435 0.342 20 30 ECEDMO C=CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001098673033 760104414 /nfs/dbraw/zinc/10/44/14/760104414.db2.gz LUELXTFJWFPQFU-FVQBIDKESA-N 1 1 332.452 0.667 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)[C@@H]2C)C1 ZINC001050347072 760157504 /nfs/dbraw/zinc/15/75/04/760157504.db2.gz VGQNFZPUVBIKHK-VNQPRFMTSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)[C@@H]2C)C1 ZINC001050347072 760157510 /nfs/dbraw/zinc/15/75/10/760157510.db2.gz VGQNFZPUVBIKHK-VNQPRFMTSA-N 1 1 343.431 0.757 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001212141432 760219086 /nfs/dbraw/zinc/21/90/86/760219086.db2.gz SKQBDILVRYVXGY-HZPDHXFCSA-N 1 1 334.420 0.988 20 30 ECEDMO Cn1cc(C[NH+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)CC2)nn1 ZINC001050487980 760345986 /nfs/dbraw/zinc/34/59/86/760345986.db2.gz OBJYXQTWGUIKNE-UHFFFAOYSA-N 1 1 339.403 0.753 20 30 ECEDMO COC[C@H](C)[NH+]1CC(n2cc(CNC(=O)CSCC#N)nn2)C1 ZINC001107129491 760529069 /nfs/dbraw/zinc/52/90/69/760529069.db2.gz AQRBEOJQVSAZAD-NSHDSACASA-N 1 1 338.437 0.043 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)c1 ZINC001048514569 760643602 /nfs/dbraw/zinc/64/36/02/760643602.db2.gz LIMDLWBGEYEXRR-UZMCECQYSA-N 1 1 341.415 0.748 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050680429 760659660 /nfs/dbraw/zinc/65/96/60/760659660.db2.gz RZTFVMIERSPOEJ-HOCLYGCPSA-N 1 1 328.416 0.958 20 30 ECEDMO N#CCN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC001048525957 760662375 /nfs/dbraw/zinc/66/23/75/760662375.db2.gz LSOHPIZROMQICI-BQJWPVKWSA-N 1 1 332.448 0.732 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048539091 760682531 /nfs/dbraw/zinc/68/25/31/760682531.db2.gz BFMOEBKMEKFVDD-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn([C@@H]3CCOC3)nn1)C2 ZINC001048583221 760753334 /nfs/dbraw/zinc/75/33/34/760753334.db2.gz GTNHOMKIRSKHOI-QKPAOTATSA-N 1 1 343.431 0.846 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001050735015 760754418 /nfs/dbraw/zinc/75/44/18/760754418.db2.gz DZPQEVFGECJRJS-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2nonc2C)C(C)(C)C1 ZINC000995922468 760782454 /nfs/dbraw/zinc/78/24/54/760782454.db2.gz KVQURSBGCHEQFJ-JKSUJKDBSA-N 1 1 345.447 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2nonc2C)C(C)(C)C1 ZINC000995922468 760782460 /nfs/dbraw/zinc/78/24/60/760782460.db2.gz KVQURSBGCHEQFJ-JKSUJKDBSA-N 1 1 345.447 0.802 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995927344 760790766 /nfs/dbraw/zinc/79/07/66/760790766.db2.gz XLHWPYPEZSUNBC-GJZGRUSLSA-N 1 1 344.463 0.239 20 30 ECEDMO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC000995980602 760885978 /nfs/dbraw/zinc/88/59/78/760885978.db2.gz ZGRFCHVQQIIUMX-CBBWQLFWSA-N 1 1 335.448 0.777 20 30 ECEDMO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC000995980602 760885992 /nfs/dbraw/zinc/88/59/92/760885992.db2.gz ZGRFCHVQQIIUMX-CBBWQLFWSA-N 1 1 335.448 0.777 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1Cc1cccc(C#N)c1 ZINC001050838355 760968909 /nfs/dbraw/zinc/96/89/09/760968909.db2.gz KVKNOMVNJBMYBI-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCCN1Cc1ccc(C#N)cc1 ZINC001050848172 760991483 /nfs/dbraw/zinc/99/14/83/760991483.db2.gz CPPMCMMMYDNGAG-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC4N=NC(=O)N4C3)CCC[C@@H]12 ZINC000991451287 760998815 /nfs/dbraw/zinc/99/88/15/760998815.db2.gz ZBENGIBWMVTJIJ-PBFPGSCMSA-N 1 1 329.404 0.293 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001048727917 761055584 /nfs/dbraw/zinc/05/55/84/761055584.db2.gz PHLUZHLSCVNMRB-BARDWOONSA-N 1 1 339.461 0.361 20 30 ECEDMO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1C1CC1 ZINC001048728031 761056232 /nfs/dbraw/zinc/05/62/32/761056232.db2.gz RPWRVOMDSSYLNV-BNOWGMLFSA-N 1 1 328.420 0.971 20 30 ECEDMO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1C1CC1 ZINC001048728031 761056243 /nfs/dbraw/zinc/05/62/43/761056243.db2.gz RPWRVOMDSSYLNV-BNOWGMLFSA-N 1 1 328.420 0.971 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C[C@@H]4CCOC4)C[C@H]3C2)C1=O ZINC001048736537 761077518 /nfs/dbraw/zinc/07/75/18/761077518.db2.gz MFRTZCBYLULQPP-NXOAAHMSSA-N 1 1 347.459 0.590 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@H]12 ZINC000991472497 761089943 /nfs/dbraw/zinc/08/99/43/761089943.db2.gz MEUFMVNLLQFTAG-LPHOPBHVSA-N 1 1 348.491 0.840 20 30 ECEDMO C[C@@H](c1nncn1C)[N@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048750675 761111724 /nfs/dbraw/zinc/11/17/24/761111724.db2.gz ZZKKAPHTYOFHFX-FPMFFAJLSA-N 1 1 339.403 0.780 20 30 ECEDMO C[C@@H](c1nncn1C)[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048750675 761111728 /nfs/dbraw/zinc/11/17/28/761111728.db2.gz ZZKKAPHTYOFHFX-FPMFFAJLSA-N 1 1 339.403 0.780 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001077446513 761158799 /nfs/dbraw/zinc/15/87/99/761158799.db2.gz KFCRMRHNYNKTQV-HZSPNIEDSA-N 1 1 336.461 0.849 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(CC)C2=O)C1 ZINC001030031491 761201560 /nfs/dbraw/zinc/20/15/60/761201560.db2.gz SQTXITKFGIFJTF-YESZJQIVSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCN(CC)C2=O)C1 ZINC001030031491 761201564 /nfs/dbraw/zinc/20/15/64/761201564.db2.gz SQTXITKFGIFJTF-YESZJQIVSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H]2CCN(CC)C2=O)C1 ZINC001030031491 761201571 /nfs/dbraw/zinc/20/15/71/761201571.db2.gz SQTXITKFGIFJTF-YESZJQIVSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H]2CCN(CC)C2=O)C1 ZINC001030031491 761201573 /nfs/dbraw/zinc/20/15/73/761201573.db2.gz SQTXITKFGIFJTF-YESZJQIVSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cscn1 ZINC001050962053 761230015 /nfs/dbraw/zinc/23/00/15/761230015.db2.gz DOOMWOMJGTWYJY-CVEARBPZSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cscn1 ZINC001050962053 761230023 /nfs/dbraw/zinc/23/00/23/761230023.db2.gz DOOMWOMJGTWYJY-CVEARBPZSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1CCOC1CCC1 ZINC001050962753 761230949 /nfs/dbraw/zinc/23/09/49/761230949.db2.gz QRBUTRULUPIFDG-AEFFLSMTSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1CCOC1CCC1 ZINC001050962753 761230958 /nfs/dbraw/zinc/23/09/58/761230958.db2.gz QRBUTRULUPIFDG-AEFFLSMTSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1conc1C ZINC001050963174 761231726 /nfs/dbraw/zinc/23/17/26/761231726.db2.gz WOLPLKPCIBIKGE-IRXDYDNUSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1conc1C ZINC001050963174 761231728 /nfs/dbraw/zinc/23/17/28/761231728.db2.gz WOLPLKPCIBIKGE-IRXDYDNUSA-N 1 1 346.431 0.398 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CNc2ccnc(C#N)n2)C1 ZINC001060260022 761265397 /nfs/dbraw/zinc/26/53/97/761265397.db2.gz QRIVRWQKGGPTLT-GJZGRUSLSA-N 1 1 342.447 0.905 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CNc2ccnc(C#N)n2)C1 ZINC001060260023 761266022 /nfs/dbraw/zinc/26/60/22/761266022.db2.gz QRIVRWQKGGPTLT-HUUCEWRRSA-N 1 1 342.447 0.905 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)COCC(F)F)CC2)C1 ZINC001105717282 761298114 /nfs/dbraw/zinc/29/81/14/761298114.db2.gz SIMSFBLYQIUMTB-UHFFFAOYSA-N 1 1 330.375 0.983 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054552518 768039522 /nfs/dbraw/zinc/03/95/22/768039522.db2.gz VSFJLYDWGREIRD-QMTHXVAHSA-N 1 1 340.391 0.458 20 30 ECEDMO CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001051085362 761461793 /nfs/dbraw/zinc/46/17/93/761461793.db2.gz DSTBNPPHPNHDDZ-DOTOQJQBSA-N 1 1 330.432 0.594 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C)n1C ZINC001054559903 768041717 /nfs/dbraw/zinc/04/17/17/768041717.db2.gz LIAPXESYHGZYMD-FZMZJTMJSA-N 1 1 341.419 0.828 20 30 ECEDMO CC#CCN1CCOC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001051110781 761509257 /nfs/dbraw/zinc/50/92/57/761509257.db2.gz JVWPLLAMXWYUMQ-OAHLLOKOSA-N 1 1 346.431 0.724 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001051163341 761590524 /nfs/dbraw/zinc/59/05/24/761590524.db2.gz DPBLXMFASLKCHE-ZDUSSCGKSA-N 1 1 331.376 0.442 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001051163341 761590527 /nfs/dbraw/zinc/59/05/27/761590527.db2.gz DPBLXMFASLKCHE-ZDUSSCGKSA-N 1 1 331.376 0.442 20 30 ECEDMO CC#CCN1CCOC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001051180431 761628823 /nfs/dbraw/zinc/62/88/23/761628823.db2.gz HILRFNJXOYCPHN-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1c1ccc(C#N)nn1 ZINC001051196250 761666926 /nfs/dbraw/zinc/66/69/26/761666926.db2.gz JLPDOFYYSWYQQN-RJZRQDKASA-N 1 1 344.419 0.151 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1c1ccc(C#N)nn1 ZINC001051196250 761666928 /nfs/dbraw/zinc/66/69/28/761666928.db2.gz JLPDOFYYSWYQQN-RJZRQDKASA-N 1 1 344.419 0.151 20 30 ECEDMO C=C(C)CCN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001051249461 761762063 /nfs/dbraw/zinc/76/20/63/761762063.db2.gz FVTCRNQMXFLBBI-CVEARBPZSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(C)CCN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001051249461 761762066 /nfs/dbraw/zinc/76/20/66/761762066.db2.gz FVTCRNQMXFLBBI-CVEARBPZSA-N 1 1 325.453 0.490 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCNC(=O)C3)cccc2C1 ZINC001051284573 761825578 /nfs/dbraw/zinc/82/55/78/761825578.db2.gz WSVZUKAGAPYBFK-CQSZACIVSA-N 1 1 325.412 0.820 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCS(=O)(=O)C3)cccc2C1 ZINC001051292352 761838116 /nfs/dbraw/zinc/83/81/16/761838116.db2.gz VERRRRXVWBDFAC-INIZCTEOSA-N 1 1 346.452 0.729 20 30 ECEDMO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCC(=O)N3)cccc2C1 ZINC001051305478 761857299 /nfs/dbraw/zinc/85/72/99/761857299.db2.gz FQFFXYBQWNLWRX-KRWDZBQOSA-N 1 1 325.412 0.963 20 30 ECEDMO CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014464647 762720787 /nfs/dbraw/zinc/72/07/87/762720787.db2.gz UZKQDHBLNIBNAT-KURKYZTESA-N 1 1 333.476 0.947 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C[C@H]1O ZINC001051699468 762727162 /nfs/dbraw/zinc/72/71/62/762727162.db2.gz GPMKINFKHDMIRH-JKSUJKDBSA-N 1 1 340.387 0.214 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N ZINC001105918125 762756220 /nfs/dbraw/zinc/75/62/20/762756220.db2.gz XOVKHAUWHUXNLR-OAHLLOKOSA-N 1 1 333.436 0.883 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1=O ZINC001014615961 762908961 /nfs/dbraw/zinc/90/89/61/762908961.db2.gz KEWREQIMGABDAA-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn(C)n3)C2)CC1 ZINC001051802651 763000774 /nfs/dbraw/zinc/00/07/74/763000774.db2.gz YRAKIAYSOVEGEG-INIZCTEOSA-N 1 1 333.436 0.879 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3coc(C)n3)C2)c1 ZINC001051817220 763033946 /nfs/dbraw/zinc/03/39/46/763033946.db2.gz QQRGBENZBLORLB-QGZVFWFLSA-N 1 1 340.383 0.990 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001051834130 763075927 /nfs/dbraw/zinc/07/59/27/763075927.db2.gz HOQQXCGCJRKGIF-MCIONIFRSA-N 1 1 335.408 0.021 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(CC)n2)C1 ZINC001051834012 763076123 /nfs/dbraw/zinc/07/61/23/763076123.db2.gz DECDKBRVTQOLPC-OAGGEKHMSA-N 1 1 349.435 0.206 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nonc2C)C1 ZINC001051834041 763076213 /nfs/dbraw/zinc/07/62/13/763076213.db2.gz DSEKLNVTGGKOFU-NFAWXSAZSA-N 1 1 336.392 0.286 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001046779625 763114928 /nfs/dbraw/zinc/11/49/28/763114928.db2.gz WBBZVXICTBIEBP-RDTXWAMCSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001046779625 763114935 /nfs/dbraw/zinc/11/49/35/763114935.db2.gz WBBZVXICTBIEBP-RDTXWAMCSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001046779672 763115169 /nfs/dbraw/zinc/11/51/69/763115169.db2.gz XJCACTYTJHVJHY-SCLBCKFNSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001046779672 763115173 /nfs/dbraw/zinc/11/51/73/763115173.db2.gz XJCACTYTJHVJHY-SCLBCKFNSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC001046781731 763117678 /nfs/dbraw/zinc/11/76/78/763117678.db2.gz NRUTWSMSYYPGRL-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001046782469 763119043 /nfs/dbraw/zinc/11/90/43/763119043.db2.gz ZKAIGDVMDOJPHY-IBGZPJMESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001046782469 763119046 /nfs/dbraw/zinc/11/90/46/763119046.db2.gz ZKAIGDVMDOJPHY-IBGZPJMESA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnc4n3CCC4)C2)C1=O ZINC001014768344 763121099 /nfs/dbraw/zinc/12/10/99/763121099.db2.gz CEIHIEMTFHMEAJ-ZIAGYGMSSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnc4n3CCC4)C2)C1=O ZINC001014768344 763121102 /nfs/dbraw/zinc/12/11/02/763121102.db2.gz CEIHIEMTFHMEAJ-ZIAGYGMSSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccon3)C2)nn1 ZINC001051859841 763133554 /nfs/dbraw/zinc/13/35/54/763133554.db2.gz GQDVCCVDICLLKR-CYBMUJFWSA-N 1 1 332.364 0.083 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001105972896 763137279 /nfs/dbraw/zinc/13/72/79/763137279.db2.gz RRGNGUDDKFFCRI-UONOGXRCSA-N 1 1 332.408 0.110 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3coc(C)n3)C2)nn1 ZINC001051860829 763137496 /nfs/dbraw/zinc/13/74/96/763137496.db2.gz RPTRCUQDGABQOB-AWEZNQCLSA-N 1 1 346.391 0.391 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001105973302 763140009 /nfs/dbraw/zinc/14/00/09/763140009.db2.gz WJUXZXUYDPZSJS-OCCSQVGLSA-N 1 1 332.408 0.110 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn(C)nc2OC)C1 ZINC001089846184 763140805 /nfs/dbraw/zinc/14/08/05/763140805.db2.gz KOMGNXVAEKESFK-YXWQFLTLSA-N 1 1 328.416 0.844 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001089846682 763149626 /nfs/dbraw/zinc/14/96/26/763149626.db2.gz OYVCNBBYPRPSEA-AJNGGQMLSA-N 1 1 328.416 0.931 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3nc(CC)c[nH]3)C2)C1=O ZINC001014788315 763158424 /nfs/dbraw/zinc/15/84/24/763158424.db2.gz GBVJDGYMFRXMNK-CABCVRRESA-N 1 1 345.447 0.492 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3nc(CC)c[nH]3)C2)C1=O ZINC001014788315 763158426 /nfs/dbraw/zinc/15/84/26/763158426.db2.gz GBVJDGYMFRXMNK-CABCVRRESA-N 1 1 345.447 0.492 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001046830436 763189620 /nfs/dbraw/zinc/18/96/20/763189620.db2.gz WWLGTAUSHROKAE-QRTARXTBSA-N 1 1 343.431 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001046830436 763189623 /nfs/dbraw/zinc/18/96/23/763189623.db2.gz WWLGTAUSHROKAE-QRTARXTBSA-N 1 1 343.431 0.403 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001105983091 763236705 /nfs/dbraw/zinc/23/67/05/763236705.db2.gz VWEHTIWUCGWDQF-DZGCQCFKSA-N 1 1 346.435 0.500 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001089856821 763247624 /nfs/dbraw/zinc/24/76/24/763247624.db2.gz VRNXAMBYEPZHSZ-YXWQFLTLSA-N 1 1 326.400 0.576 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cc3ncn[nH]3)CCO2)cc1 ZINC001051896082 763253418 /nfs/dbraw/zinc/25/34/18/763253418.db2.gz DZDWMMGICFHUGE-HNNXBMFYSA-N 1 1 340.387 0.236 20 30 ECEDMO N#Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)Cc3ncn[nH]3)CCO2)c1 ZINC001051896971 763258690 /nfs/dbraw/zinc/25/86/90/763258690.db2.gz QHDQDVAPEDBCBW-HNNXBMFYSA-N 1 1 340.387 0.236 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001046874702 763280175 /nfs/dbraw/zinc/28/01/75/763280175.db2.gz AYLGCLVOLKBKPL-GUYCJALGSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001046874702 763280181 /nfs/dbraw/zinc/28/01/81/763280181.db2.gz AYLGCLVOLKBKPL-GUYCJALGSA-N 1 1 331.420 0.699 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)[nH]3)C2)cn1 ZINC001051906505 763296580 /nfs/dbraw/zinc/29/65/80/763296580.db2.gz QADQYIXMBGGXNG-OAHLLOKOSA-N 1 1 340.387 0.120 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]2O)C1 ZINC000991767596 763340835 /nfs/dbraw/zinc/34/08/35/763340835.db2.gz JUKOZANFJQYRCB-HUUCEWRRSA-N 1 1 346.431 0.626 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]2O)C1 ZINC000991767597 763341248 /nfs/dbraw/zinc/34/12/48/763341248.db2.gz JUKOZANFJQYRCB-LSDHHAIUSA-N 1 1 346.431 0.626 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001040925257 763417693 /nfs/dbraw/zinc/41/76/93/763417693.db2.gz UULDQSYXPAJEEN-MAUKXSAKSA-N 1 1 335.448 0.210 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046946273 763436804 /nfs/dbraw/zinc/43/68/04/763436804.db2.gz VCMVRASCEGKNAO-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046946273 763436806 /nfs/dbraw/zinc/43/68/06/763436806.db2.gz VCMVRASCEGKNAO-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001046948208 763440957 /nfs/dbraw/zinc/44/09/57/763440957.db2.gz DBJHQTJZAOPKDM-CHWSQXEVSA-N 1 1 327.375 0.752 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001046948208 763440961 /nfs/dbraw/zinc/44/09/61/763440961.db2.gz DBJHQTJZAOPKDM-CHWSQXEVSA-N 1 1 327.375 0.752 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)no1 ZINC001046950806 763445242 /nfs/dbraw/zinc/44/52/42/763445242.db2.gz LNWANDGSAHBINQ-LLVKDONJSA-N 1 1 341.362 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nc(COC)no2)C1 ZINC001030463985 763455068 /nfs/dbraw/zinc/45/50/68/763455068.db2.gz CCZDGXGHICELPI-OCCSQVGLSA-N 1 1 347.419 0.175 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nc(COC)no2)C1 ZINC001030463985 763455073 /nfs/dbraw/zinc/45/50/73/763455073.db2.gz CCZDGXGHICELPI-OCCSQVGLSA-N 1 1 347.419 0.175 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001046956951 763460259 /nfs/dbraw/zinc/46/02/59/763460259.db2.gz BOUDCYAAVDCEDB-NSHDSACASA-N 1 1 325.315 0.699 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001046956951 763460261 /nfs/dbraw/zinc/46/02/61/763460261.db2.gz BOUDCYAAVDCEDB-NSHDSACASA-N 1 1 325.315 0.699 20 30 ECEDMO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001014924704 763466162 /nfs/dbraw/zinc/46/61/62/763466162.db2.gz NNYGSKHMJAHDJD-ZTFGCOKTSA-N 1 1 342.443 0.968 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031901802 763468012 /nfs/dbraw/zinc/46/80/12/763468012.db2.gz PVBSWGWNRGAETH-AWEZNQCLSA-N 1 1 332.429 0.789 20 30 ECEDMO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001040926491 763469177 /nfs/dbraw/zinc/46/91/77/763469177.db2.gz ZUCPPQWHLDZVLL-YJBOKZPZSA-N 1 1 335.448 0.354 20 30 ECEDMO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCCc3[nH+]ccn32)nc1 ZINC001105995219 763475247 /nfs/dbraw/zinc/47/52/47/763475247.db2.gz PRXTZDCTQMCRSK-UONOGXRCSA-N 1 1 340.387 0.616 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001046969010 763486049 /nfs/dbraw/zinc/48/60/49/763486049.db2.gz TVRKMRQSHBXUJX-HZSPNIEDSA-N 1 1 341.402 0.807 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046971059 763490032 /nfs/dbraw/zinc/49/00/32/763490032.db2.gz RUFVQTOAJXUDSZ-RWMBFGLXSA-N 1 1 345.390 0.669 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001046983744 763510391 /nfs/dbraw/zinc/51/03/91/763510391.db2.gz JAWUPRLIGPPACG-LBPRGKRZSA-N 1 1 338.358 0.824 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001046983744 763510397 /nfs/dbraw/zinc/51/03/97/763510397.db2.gz JAWUPRLIGPPACG-LBPRGKRZSA-N 1 1 338.358 0.824 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)C1 ZINC001046996257 763537986 /nfs/dbraw/zinc/53/79/86/763537986.db2.gz NWFFCEODBOKYQY-STQMWFEESA-N 1 1 330.379 0.304 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)C1 ZINC001046996257 763537990 /nfs/dbraw/zinc/53/79/90/763537990.db2.gz NWFFCEODBOKYQY-STQMWFEESA-N 1 1 330.379 0.304 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001047022793 763563273 /nfs/dbraw/zinc/56/32/73/763563273.db2.gz BZHGKUIENQEGLO-SYQHCUMBSA-N 1 1 328.420 0.275 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3nc(C)no3)C2)nn1 ZINC000995112805 763564658 /nfs/dbraw/zinc/56/46/58/763564658.db2.gz MCLBRVUZCDZXJP-CHWSQXEVSA-N 1 1 345.407 0.844 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001052006630 763572911 /nfs/dbraw/zinc/57/29/11/763572911.db2.gz QLTLTPWCQSNWGZ-INIZCTEOSA-N 1 1 325.416 0.742 20 30 ECEDMO Cn1nccc1CN1CC[NH+]([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052025439 763616437 /nfs/dbraw/zinc/61/64/37/763616437.db2.gz DOWSXUDNLGUFHZ-GOSISDBHSA-N 1 1 341.459 0.552 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052026776 763619582 /nfs/dbraw/zinc/61/95/82/763619582.db2.gz SYKVGVWEKMEHKG-IRXDYDNUSA-N 1 1 333.480 0.601 20 30 ECEDMO Cc1cnccc1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052027670 763622128 /nfs/dbraw/zinc/62/21/28/763622128.db2.gz IQVHQVBPZWVTCP-QGZVFWFLSA-N 1 1 327.432 0.675 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)Cn3ccc(C)n3)C2)CC1 ZINC001052032396 763634727 /nfs/dbraw/zinc/63/47/27/763634727.db2.gz GRCOHPNELJMKCR-AEFFLSMTSA-N 1 1 343.475 0.679 20 30 ECEDMO Cc1c(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cnn1C ZINC001052033815 763637628 /nfs/dbraw/zinc/63/76/28/763637628.db2.gz VGDZOBWTKMWOLV-MRXNPFEDSA-N 1 1 330.436 0.013 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054677681 768155635 /nfs/dbraw/zinc/15/56/35/768155635.db2.gz RHWHFGQFJJKUAM-RBSFLKMASA-N 1 1 342.447 0.761 20 30 ECEDMO Cn1nccc1CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035589 763643274 /nfs/dbraw/zinc/64/32/74/763643274.db2.gz LVPHEWCVFQTWLS-INIZCTEOSA-N 1 1 330.436 0.095 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccn(C)n3)C2)CC1 ZINC001052035737 763645241 /nfs/dbraw/zinc/64/52/41/763645241.db2.gz OMRACDJSRNHNQI-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3ccn(C)n3)C2)CC1 ZINC001052035737 763645247 /nfs/dbraw/zinc/64/52/47/763645247.db2.gz OMRACDJSRNHNQI-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001052036684 763650400 /nfs/dbraw/zinc/65/04/00/763650400.db2.gz SJWNHHSLJRLWEN-QGZVFWFLSA-N 1 1 332.492 0.713 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001077574242 763651401 /nfs/dbraw/zinc/65/14/01/763651401.db2.gz MLVNDDUUGSBCTM-YNEHKIRRSA-N 1 1 335.370 0.608 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037319 763655269 /nfs/dbraw/zinc/65/52/69/763655269.db2.gz KUDMLVNUBXXBMD-KRWDZBQOSA-N 1 1 331.464 0.676 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037319 763655277 /nfs/dbraw/zinc/65/52/77/763655277.db2.gz KUDMLVNUBXXBMD-KRWDZBQOSA-N 1 1 331.464 0.676 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)CC1 ZINC001052040422 763661420 /nfs/dbraw/zinc/66/14/20/763661420.db2.gz AMMVZLWFPYRUKX-HNNXBMFYSA-N 1 1 329.404 0.038 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C2)CC1 ZINC001052040803 763663976 /nfs/dbraw/zinc/66/39/76/763663976.db2.gz LAQVAQMZAPIGAW-MRXNPFEDSA-N 1 1 340.431 0.976 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C2)CC1 ZINC001052041048 763665816 /nfs/dbraw/zinc/66/58/16/763665816.db2.gz QMUQIJCAUKNRSZ-MRXNPFEDSA-N 1 1 338.415 0.423 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)CC1 ZINC001052045148 763682385 /nfs/dbraw/zinc/68/23/85/763682385.db2.gz QLWIRMZHXXPRKD-IRXDYDNUSA-N 1 1 341.459 0.297 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@@H](O)CNc2ncccc2C#N)no1 ZINC001106010096 763687197 /nfs/dbraw/zinc/68/71/97/763687197.db2.gz NTLMUALFXDEODV-LBPRGKRZSA-N 1 1 344.375 0.206 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052046893 763689005 /nfs/dbraw/zinc/68/90/05/763689005.db2.gz GIQZYNGVZWVGSR-QZTJIDSGSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052046893 763689009 /nfs/dbraw/zinc/68/90/09/763689009.db2.gz GIQZYNGVZWVGSR-QZTJIDSGSA-N 1 1 348.491 0.649 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106011124 763691673 /nfs/dbraw/zinc/69/16/73/763691673.db2.gz KRLAAOWMMAKLBR-LBPRGKRZSA-N 1 1 337.399 0.712 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc(OC)c3)C2)CC1 ZINC001052048610 763697409 /nfs/dbraw/zinc/69/74/09/763697409.db2.gz YYVIHDMQBOUMCK-MRXNPFEDSA-N 1 1 328.416 0.556 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(C)c3CC)C2)CC1 ZINC001052048573 763697548 /nfs/dbraw/zinc/69/75/48/763697548.db2.gz XWAGSZNCQAWNOA-HNNXBMFYSA-N 1 1 329.448 0.448 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(OCC)no3)C2)CC1 ZINC001052048739 763698228 /nfs/dbraw/zinc/69/82/28/763698228.db2.gz CYXQHUSQKKIEEN-HNNXBMFYSA-N 1 1 346.431 0.929 20 30 ECEDMO Cc1cc(=O)oc(C)c1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052049192 763701615 /nfs/dbraw/zinc/70/16/15/763701615.db2.gz IWEPYFUWNGEJCJ-OAHLLOKOSA-N 1 1 344.415 0.612 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nnnn2C)[C@@H](C)C1 ZINC001054679572 768156501 /nfs/dbraw/zinc/15/65/01/768156501.db2.gz KFMDVBLRSZZURP-ONGXEEELSA-N 1 1 326.832 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001015064204 763791851 /nfs/dbraw/zinc/79/18/51/763791851.db2.gz HUTNOWYMQRIGAJ-SWLSCSKDSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001015064204 763791856 /nfs/dbraw/zinc/79/18/56/763791856.db2.gz HUTNOWYMQRIGAJ-SWLSCSKDSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(=O)n3C)C2)CC1 ZINC001052081525 763799434 /nfs/dbraw/zinc/79/94/34/763799434.db2.gz NBYSRAIQXNRKMG-OAHLLOKOSA-N 1 1 330.432 0.403 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(=O)n3C)C2)CC1 ZINC001052081525 763799437 /nfs/dbraw/zinc/79/94/37/763799437.db2.gz NBYSRAIQXNRKMG-OAHLLOKOSA-N 1 1 330.432 0.403 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C3(CF)CCOCC3)CC2)C1 ZINC000941567616 763802677 /nfs/dbraw/zinc/80/26/77/763802677.db2.gz YVUOXUQXLJVFHC-UHFFFAOYSA-N 1 1 325.428 0.767 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 ZINC001052085248 763811004 /nfs/dbraw/zinc/81/10/04/763811004.db2.gz BJRVECNGSSWLRK-IXDOHACOSA-N 1 1 346.475 0.130 20 30 ECEDMO C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CS(C)(=O)=O)C2)CC1 ZINC001047226004 763815119 /nfs/dbraw/zinc/81/51/19/763815119.db2.gz YMDMWADKYJDJAU-HNNXBMFYSA-N 1 1 326.462 0.615 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052088892 763823755 /nfs/dbraw/zinc/82/37/55/763823755.db2.gz MWFOAADRRKIVDQ-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052088892 763823762 /nfs/dbraw/zinc/82/37/62/763823762.db2.gz MWFOAADRRKIVDQ-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc(N(C)C)c3)C2)CC1 ZINC001052093081 763834870 /nfs/dbraw/zinc/83/48/70/763834870.db2.gz KMIDLEYKTOZEBP-QGZVFWFLSA-N 1 1 341.459 0.613 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN3CCCNC3=O)C2)s1 ZINC001015080763 763835328 /nfs/dbraw/zinc/83/53/28/763835328.db2.gz JKOIBURDUVZOEO-GFCCVEGCSA-N 1 1 347.444 0.726 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCCNC3=O)C2)s1 ZINC001015080763 763835334 /nfs/dbraw/zinc/83/53/34/763835334.db2.gz JKOIBURDUVZOEO-GFCCVEGCSA-N 1 1 347.444 0.726 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cscn3)C2)CC1 ZINC001052093142 763837029 /nfs/dbraw/zinc/83/70/29/763837029.db2.gz JVCXQMRRJSDSLB-INIZCTEOSA-N 1 1 332.473 0.927 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)n[nH]c3C)C2)CC1 ZINC001052098684 763854373 /nfs/dbraw/zinc/85/43/73/763854373.db2.gz NDBVFIOQWIAZLQ-MRXNPFEDSA-N 1 1 329.448 0.882 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ncccn3)C2)CC1 ZINC001052098856 763854652 /nfs/dbraw/zinc/85/46/52/763854652.db2.gz CXIXDZOLFNGTGT-OAHLLOKOSA-N 1 1 328.420 0.151 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(CC)nn3C)C2)CC1 ZINC001052101783 763864231 /nfs/dbraw/zinc/86/42/31/763864231.db2.gz VOPRMNAZGAVRHL-INIZCTEOSA-N 1 1 329.448 0.448 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106987 763885033 /nfs/dbraw/zinc/88/50/33/763885033.db2.gz YPCJUWGNLKWTGJ-GOSISDBHSA-N 1 1 343.475 0.687 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cncn3C)C2)CC1 ZINC001052112922 763908841 /nfs/dbraw/zinc/90/88/41/763908841.db2.gz HPHWHBAZLPSPPL-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)CC1 ZINC001052112895 763909548 /nfs/dbraw/zinc/90/95/48/763909548.db2.gz GYBWHDZIGWWCDB-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)CC1 ZINC001052112895 763909551 /nfs/dbraw/zinc/90/95/51/763909551.db2.gz GYBWHDZIGWWCDB-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113055 763911053 /nfs/dbraw/zinc/91/10/53/763911053.db2.gz LFJKNYWNMWRGOF-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113055 763911057 /nfs/dbraw/zinc/91/10/57/763911057.db2.gz LFJKNYWNMWRGOF-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c4ncccc34)C2)CC1 ZINC001052116892 763925640 /nfs/dbraw/zinc/92/56/40/763925640.db2.gz AAXYNBCTARKBEA-AWEZNQCLSA-N 1 1 338.415 0.919 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3c(C)csc3=O)C2)CC1 ZINC001052117660 763928790 /nfs/dbraw/zinc/92/87/90/763928790.db2.gz WKPYHLBARLZTCR-OAHLLOKOSA-N 1 1 348.472 0.070 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)CC1 ZINC001052119062 763934798 /nfs/dbraw/zinc/93/47/98/763934798.db2.gz ISNOJLJCHPTUHO-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C2)CC1 ZINC001052119645 763936598 /nfs/dbraw/zinc/93/65/98/763936598.db2.gz TVFRZGPIFPSUMG-CQSZACIVSA-N 1 1 343.431 0.199 20 30 ECEDMO CN(C(=O)c1cc[nH]n1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047311993 763958144 /nfs/dbraw/zinc/95/81/44/763958144.db2.gz OKEQCQYAICEQQR-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1cc[nH]n1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047311993 763958147 /nfs/dbraw/zinc/95/81/47/763958147.db2.gz OKEQCQYAICEQQR-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC34CCOCC4)C2)CC1 ZINC001052131525 763962368 /nfs/dbraw/zinc/96/23/68/763962368.db2.gz SHLSPZJKUGKILB-JKSUJKDBSA-N 1 1 332.448 0.545 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn(C)c3)CC2)C1=O ZINC001052192476 764037275 /nfs/dbraw/zinc/03/72/75/764037275.db2.gz UJSRCTHUBRBLGV-HZPDHXFCSA-N 1 1 345.447 0.791 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001047337465 764045380 /nfs/dbraw/zinc/04/53/80/764045380.db2.gz DZULAAWBGNBNQY-KCXAZCMYSA-N 1 1 332.404 0.430 20 30 ECEDMO Cc1ncccc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047338593 764047663 /nfs/dbraw/zinc/04/76/63/764047663.db2.gz YJBQYGGKJYOBNO-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1ncccc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047338593 764047670 /nfs/dbraw/zinc/04/76/70/764047670.db2.gz YJBQYGGKJYOBNO-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)CN3CCCCS3(=O)=O)CCC[C@@H]12 ZINC000991858361 764082275 /nfs/dbraw/zinc/08/22/75/764082275.db2.gz GEXNMGXQFITFTC-GDBMZVCRSA-N 1 1 339.461 0.158 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001047353131 764087049 /nfs/dbraw/zinc/08/70/49/764087049.db2.gz AHSOIYSDJZZZIA-GJZGRUSLSA-N 1 1 345.428 0.703 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001047353131 764087054 /nfs/dbraw/zinc/08/70/54/764087054.db2.gz AHSOIYSDJZZZIA-GJZGRUSLSA-N 1 1 345.428 0.703 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001047353594 764089026 /nfs/dbraw/zinc/08/90/26/764089026.db2.gz HGINQSKXKPMVJZ-JYJNAYRXSA-N 1 1 346.431 0.819 20 30 ECEDMO Cc1ccncc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047354401 764092518 /nfs/dbraw/zinc/09/25/18/764092518.db2.gz VNMVIPFPFIGPMU-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1ccncc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047354401 764092524 /nfs/dbraw/zinc/09/25/24/764092524.db2.gz VNMVIPFPFIGPMU-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cn3nc(C)cc3C)C2)C1=O ZINC001015185355 764096082 /nfs/dbraw/zinc/09/60/82/764096082.db2.gz IOECDGUNUAZMFG-CVEARBPZSA-N 1 1 345.447 0.477 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cn3nc(C)cc3C)C2)C1=O ZINC001015185355 764096091 /nfs/dbraw/zinc/09/60/91/764096091.db2.gz IOECDGUNUAZMFG-CVEARBPZSA-N 1 1 345.447 0.477 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CN3CCCCS3(=O)=O)CCC[C@@H]12 ZINC000991864217 764112751 /nfs/dbraw/zinc/11/27/51/764112751.db2.gz UUKBOIFIGZVGRJ-ZBFHGGJFSA-N 1 1 341.477 0.711 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001127327799 768194777 /nfs/dbraw/zinc/19/47/77/768194777.db2.gz XJROAOLPSGNWIG-LBPRGKRZSA-N 1 1 333.436 0.228 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cn[nH]n1 ZINC001089866829 764169753 /nfs/dbraw/zinc/16/97/53/764169753.db2.gz FNZRWBVABBTCEE-SVGFKBNWSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]nn1 ZINC001089866829 764169759 /nfs/dbraw/zinc/16/97/59/764169759.db2.gz FNZRWBVABBTCEE-SVGFKBNWSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]nn1 ZINC001089866829 764169764 /nfs/dbraw/zinc/16/97/64/764169764.db2.gz FNZRWBVABBTCEE-SVGFKBNWSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn[nH]1 ZINC001089866829 764169772 /nfs/dbraw/zinc/16/97/72/764169772.db2.gz FNZRWBVABBTCEE-SVGFKBNWSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn[nH]1 ZINC001089866829 764169777 /nfs/dbraw/zinc/16/97/77/764169777.db2.gz FNZRWBVABBTCEE-SVGFKBNWSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cn[nH]n1 ZINC001089866827 764169809 /nfs/dbraw/zinc/16/98/09/764169809.db2.gz FNZRWBVABBTCEE-LLLHUVSDSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]nn1 ZINC001089866827 764169816 /nfs/dbraw/zinc/16/98/16/764169816.db2.gz FNZRWBVABBTCEE-LLLHUVSDSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]nn1 ZINC001089866827 764169824 /nfs/dbraw/zinc/16/98/24/764169824.db2.gz FNZRWBVABBTCEE-LLLHUVSDSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn[nH]1 ZINC001089866827 764169830 /nfs/dbraw/zinc/16/98/30/764169830.db2.gz FNZRWBVABBTCEE-LLLHUVSDSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn[nH]1 ZINC001089866827 764169833 /nfs/dbraw/zinc/16/98/33/764169833.db2.gz FNZRWBVABBTCEE-LLLHUVSDSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2cnn(C)n2)C1 ZINC001089867638 764171041 /nfs/dbraw/zinc/17/10/41/764171041.db2.gz KETQXINUYHMJKO-HJWJTTGWSA-N 1 1 327.432 0.550 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2[C@@H](C)CCC3)C1 ZINC001047388677 764188050 /nfs/dbraw/zinc/18/80/50/764188050.db2.gz HHSVOWMZYQZVAD-BPUTZDHNSA-N 1 1 330.432 0.921 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2[C@@H](C)CCC3)C1 ZINC001047388677 764188058 /nfs/dbraw/zinc/18/80/58/764188058.db2.gz HHSVOWMZYQZVAD-BPUTZDHNSA-N 1 1 330.432 0.921 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052288469 764200175 /nfs/dbraw/zinc/20/01/75/764200175.db2.gz NDFGEKHDZYIHHL-CYBMUJFWSA-N 1 1 327.392 0.799 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289436 764200297 /nfs/dbraw/zinc/20/02/97/764200297.db2.gz ZERZTLFLLOMRIK-CYBMUJFWSA-N 1 1 338.433 0.515 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289436 764200301 /nfs/dbraw/zinc/20/03/01/764200301.db2.gz ZERZTLFLLOMRIK-CYBMUJFWSA-N 1 1 338.433 0.515 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)CC2)c1 ZINC001052290113 764200753 /nfs/dbraw/zinc/20/07/53/764200753.db2.gz KYBLFMINXJCIDL-CQSZACIVSA-N 1 1 344.419 0.496 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(COC)on3)C2)C1=O ZINC001032031704 764211445 /nfs/dbraw/zinc/21/14/45/764211445.db2.gz SPQHPRJFXXWILU-HNNXBMFYSA-N 1 1 348.403 0.270 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001047405703 764239223 /nfs/dbraw/zinc/23/92/23/764239223.db2.gz QFODJVGJLRMXIN-KBPBESRZSA-N 1 1 330.392 0.436 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2NC(C)=O)C1 ZINC001047405593 764239380 /nfs/dbraw/zinc/23/93/80/764239380.db2.gz LWUUORSQCLCPQN-GJZGRUSLSA-N 1 1 332.404 0.733 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)[nH]1 ZINC001052319681 764244451 /nfs/dbraw/zinc/24/44/51/764244451.db2.gz INLFHDBMQMMFPS-SMDDNHRTSA-N 1 1 343.387 0.276 20 30 ECEDMO C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001047407770 764250970 /nfs/dbraw/zinc/25/09/70/764250970.db2.gz OYDVTTKBTGBVGC-ULQDDVLXSA-N 1 1 337.464 0.319 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3nccnc3c2)C1 ZINC001047411066 764260005 /nfs/dbraw/zinc/26/00/05/764260005.db2.gz UDEDWPFGHVITMM-GJZGRUSLSA-N 1 1 325.372 0.165 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3nccnc3c2)C1 ZINC001047411066 764260009 /nfs/dbraw/zinc/26/00/09/764260009.db2.gz UDEDWPFGHVITMM-GJZGRUSLSA-N 1 1 325.372 0.165 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001047410499 764260170 /nfs/dbraw/zinc/26/01/70/764260170.db2.gz LFEDQZXGDUJBLM-KBPBESRZSA-N 1 1 331.372 0.321 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001047410499 764260179 /nfs/dbraw/zinc/26/01/79/764260179.db2.gz LFEDQZXGDUJBLM-KBPBESRZSA-N 1 1 331.372 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2ncc(C)o2)C[C@@H]1O ZINC001047415437 764275519 /nfs/dbraw/zinc/27/55/19/764275519.db2.gz XZLCQLIFNJSZMN-JYJNAYRXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2ncc(C)o2)C[C@@H]1O ZINC001047415437 764275522 /nfs/dbraw/zinc/27/55/22/764275522.db2.gz XZLCQLIFNJSZMN-JYJNAYRXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CC(C)C2)C[C@@H]1O ZINC001047415436 764275611 /nfs/dbraw/zinc/27/56/11/764275611.db2.gz XXYGDHPXEQPCGB-CNFALQKSSA-N 1 1 333.476 0.634 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)COCC3)C1 ZINC001047427911 764313859 /nfs/dbraw/zinc/31/38/59/764313859.db2.gz NVPTVCUUNXANAA-GJZGRUSLSA-N 1 1 334.420 0.497 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CC2(OC)CCC2)[C@H](OC)C1 ZINC001212189103 764334662 /nfs/dbraw/zinc/33/46/62/764334662.db2.gz RKXOFQNGBTYUME-HUUCEWRRSA-N 1 1 326.437 0.964 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000938291608 764353246 /nfs/dbraw/zinc/35/32/46/764353246.db2.gz QQQQJBXOYOXNPX-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052378915 764367282 /nfs/dbraw/zinc/36/72/82/764367282.db2.gz KQNPNSRUFSQEOA-HUUCEWRRSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccn(CC)n3)[C@H]2C)C1=O ZINC001088897742 764392770 /nfs/dbraw/zinc/39/27/70/764392770.db2.gz VLOHAHRYPUKDPJ-YCPHGPKFSA-N 1 1 345.447 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccn(CC)n3)[C@H]2C)C1=O ZINC001088897742 764392776 /nfs/dbraw/zinc/39/27/76/764392776.db2.gz VLOHAHRYPUKDPJ-YCPHGPKFSA-N 1 1 345.447 0.883 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccnc(C)c3)C2)C1=O ZINC001032064556 764396741 /nfs/dbraw/zinc/39/67/41/764396741.db2.gz VLDQPEKHYZSYNB-INIZCTEOSA-N 1 1 328.416 0.839 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nc(CC)nc2C)C1 ZINC001047463819 764420290 /nfs/dbraw/zinc/42/02/90/764420290.db2.gz UPKCKDKZCQNEBU-IRXDYDNUSA-N 1 1 344.459 0.725 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)[C@@H]2C)nn1 ZINC001088911295 764426959 /nfs/dbraw/zinc/42/69/59/764426959.db2.gz IYSQPEGKNUGRHU-CABCVRRESA-N 1 1 343.435 0.944 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001047468576 764428218 /nfs/dbraw/zinc/42/82/18/764428218.db2.gz KKLDBDIKUFMFGA-ILXRZTDVSA-N 1 1 333.436 0.229 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCOC2)C1 ZINC001111644230 764459746 /nfs/dbraw/zinc/45/97/46/764459746.db2.gz ONDGYIZHOBPLQM-MPGHIAIKSA-N 1 1 335.448 0.686 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001047478299 764460580 /nfs/dbraw/zinc/46/05/80/764460580.db2.gz SAJMWTWWIVSXNA-GJZGRUSLSA-N 1 1 329.404 0.580 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001047478299 764460583 /nfs/dbraw/zinc/46/05/83/764460583.db2.gz SAJMWTWWIVSXNA-GJZGRUSLSA-N 1 1 329.404 0.580 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001047479752 764467211 /nfs/dbraw/zinc/46/72/11/764467211.db2.gz ZQXQVJAJJGPDLD-HOTGVXAUSA-N 1 1 337.464 0.571 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001047479752 764467215 /nfs/dbraw/zinc/46/72/15/764467215.db2.gz ZQXQVJAJJGPDLD-HOTGVXAUSA-N 1 1 337.464 0.571 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001047482037 764476674 /nfs/dbraw/zinc/47/66/74/764476674.db2.gz MCQUIUKMVIDZQB-KBPBESRZSA-N 1 1 334.420 0.882 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncccn3)[C@H]2C)C1=O ZINC001088933259 764515617 /nfs/dbraw/zinc/51/56/17/764515617.db2.gz UINXGABPRVTPOE-RDBSUJKOSA-N 1 1 329.404 0.456 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncccn3)[C@H]2C)C1=O ZINC001088933259 764515622 /nfs/dbraw/zinc/51/56/22/764515622.db2.gz UINXGABPRVTPOE-RDBSUJKOSA-N 1 1 329.404 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nnc(C)o2)CC1 ZINC001052458119 764542983 /nfs/dbraw/zinc/54/29/83/764542983.db2.gz YNLDQKBOCSUALY-CVEARBPZSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nnc(C)o2)CC1 ZINC001052458119 764542988 /nfs/dbraw/zinc/54/29/88/764542988.db2.gz YNLDQKBOCSUALY-CVEARBPZSA-N 1 1 345.447 0.946 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCCCOC)C2)nn1 ZINC001098767707 764622759 /nfs/dbraw/zinc/62/27/59/764622759.db2.gz NUIQNPDODDKPNN-OAHLLOKOSA-N 1 1 337.424 0.380 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1C[NH+]([C@H](CC)C(N)=O)C1 ZINC001032115046 764627576 /nfs/dbraw/zinc/62/75/76/764627576.db2.gz PHWVBTWZFQZOFA-CYBMUJFWSA-N 1 1 332.404 0.572 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001052502329 764630493 /nfs/dbraw/zinc/63/04/93/764630493.db2.gz CNOFDCHXCRNTQF-ZIAGYGMSSA-N 1 1 331.420 0.540 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2nc3ncccn3n2)C1 ZINC001089878612 764630689 /nfs/dbraw/zinc/63/06/89/764630689.db2.gz PPQVBMLIOYGQQG-AJNGGQMLSA-N 1 1 336.399 0.540 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CC(=O)NC1=O ZINC001089878856 764631903 /nfs/dbraw/zinc/63/19/03/764631903.db2.gz SOLKZPIIMGMEDM-YJNKXOJESA-N 1 1 346.431 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cccn2C)C1 ZINC000991925491 764646276 /nfs/dbraw/zinc/64/62/76/764646276.db2.gz ITGAWFIFLQQVMS-DQPZFDDXSA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cccn2C)C1 ZINC000991925491 764646285 /nfs/dbraw/zinc/64/62/85/764646285.db2.gz ITGAWFIFLQQVMS-DQPZFDDXSA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2-n2cnnn2)CC1 ZINC001052517228 764670107 /nfs/dbraw/zinc/67/01/07/764670107.db2.gz WEMPMMQLBFKNQH-GFCCVEGCSA-N 1 1 330.417 0.941 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCOCCO ZINC001099074701 764697486 /nfs/dbraw/zinc/69/74/86/764697486.db2.gz PWWLOHDYTFASAC-JKSUJKDBSA-N 1 1 340.464 0.640 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc(OC)ccc23)C1 ZINC001047566064 764708916 /nfs/dbraw/zinc/70/89/16/764708916.db2.gz UQRUTCUGBQKTBG-IRXDYDNUSA-N 1 1 342.399 0.483 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001052536607 764712916 /nfs/dbraw/zinc/71/29/16/764712916.db2.gz GOBMNVMFRLDQEO-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001052536607 764712921 /nfs/dbraw/zinc/71/29/21/764712921.db2.gz GOBMNVMFRLDQEO-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ncccn3n2)C1 ZINC001047573652 764736975 /nfs/dbraw/zinc/73/69/75/764736975.db2.gz LXZJLCGQODBGKB-GJZGRUSLSA-N 1 1 329.404 0.813 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)cc1 ZINC001015487924 764763071 /nfs/dbraw/zinc/76/30/71/764763071.db2.gz NUUUVBGVXJVPHI-ROUUACIJSA-N 1 1 338.411 0.730 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001047581366 764767264 /nfs/dbraw/zinc/76/72/64/764767264.db2.gz WPIXAHYAKOBGOL-HOTGVXAUSA-N 1 1 343.431 0.970 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001047593513 764814480 /nfs/dbraw/zinc/81/44/80/764814480.db2.gz KFUSUOYIRRZMME-HOTGVXAUSA-N 1 1 344.415 0.406 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC001052595213 764821239 /nfs/dbraw/zinc/82/12/39/764821239.db2.gz RFBYEABXFYUXHJ-ZIAGYGMSSA-N 1 1 329.391 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC001052595211 764821805 /nfs/dbraw/zinc/82/18/05/764821805.db2.gz RFBYEABXFYUXHJ-KGLIPLIRSA-N 1 1 329.391 0.556 20 30 ECEDMO C=CCOCC(=O)N(C)C[C@H](O)CN(C)c1cc(C)[nH+]c(CC)n1 ZINC001124987743 764832404 /nfs/dbraw/zinc/83/24/04/764832404.db2.gz DAFDTHQSOSWDSL-CQSZACIVSA-N 1 1 336.436 0.806 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](CC)OC)C[C@@H]2O)cn1 ZINC001047599157 764836662 /nfs/dbraw/zinc/83/66/62/764836662.db2.gz KAQXXJLCIWVDCV-IKGGRYGDSA-N 1 1 331.416 0.605 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001047600010 764839516 /nfs/dbraw/zinc/83/95/16/764839516.db2.gz KOZSZDXONLXSGD-IRXDYDNUSA-N 1 1 343.427 0.529 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@H+](CC#CC)C[C@@H]1O ZINC001047602074 764846314 /nfs/dbraw/zinc/84/63/14/764846314.db2.gz YJTMGOVSEOUISD-HOTGVXAUSA-N 1 1 327.384 0.234 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+](CC#CC)C[C@@H]1O ZINC001047602074 764846318 /nfs/dbraw/zinc/84/63/18/764846318.db2.gz YJTMGOVSEOUISD-HOTGVXAUSA-N 1 1 327.384 0.234 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001047602882 764852452 /nfs/dbraw/zinc/85/24/52/764852452.db2.gz ZKDHIZJFEZMPBK-GJZGRUSLSA-N 1 1 343.383 0.263 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)cc2OC)C1 ZINC001047609437 764869472 /nfs/dbraw/zinc/86/94/72/764869472.db2.gz PPKHPYFOULOFGD-HOTGVXAUSA-N 1 1 332.400 0.844 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001047621645 764904695 /nfs/dbraw/zinc/90/46/95/764904695.db2.gz VPYFEYGZXVZRTK-HOTGVXAUSA-N 1 1 346.431 0.548 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1=O ZINC001015545577 764923906 /nfs/dbraw/zinc/92/39/06/764923906.db2.gz LMKBCCKZPQBXNL-DLBZAZTESA-N 1 1 325.412 0.707 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1=O ZINC001015545577 764923911 /nfs/dbraw/zinc/92/39/11/764923911.db2.gz LMKBCCKZPQBXNL-DLBZAZTESA-N 1 1 325.412 0.707 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001052670363 764969860 /nfs/dbraw/zinc/96/98/60/764969860.db2.gz DEOJWTDAHTUBHK-QWRGUYRKSA-N 1 1 345.241 0.547 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001052670363 764969864 /nfs/dbraw/zinc/96/98/64/764969864.db2.gz DEOJWTDAHTUBHK-QWRGUYRKSA-N 1 1 345.241 0.547 20 30 ECEDMO CC#CCNCc1cn([C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001098774910 764977617 /nfs/dbraw/zinc/97/76/17/764977617.db2.gz UNJOKDCSGSLFSF-QGZVFWFLSA-N 1 1 346.479 0.896 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)c1 ZINC001052697841 765003047 /nfs/dbraw/zinc/00/30/47/765003047.db2.gz BSGGQUQTARDUAK-CVEARBPZSA-N 1 1 328.416 0.911 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)CC2)nn1 ZINC001052775890 765099166 /nfs/dbraw/zinc/09/91/66/765099166.db2.gz YXHFUNYSVKOZNT-CYBMUJFWSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)CC2)nn1 ZINC001052775467 765099854 /nfs/dbraw/zinc/09/98/54/765099854.db2.gz UKFGXKUSFODXIU-CYBMUJFWSA-N 1 1 346.435 0.327 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)c1 ZINC001015679157 765150666 /nfs/dbraw/zinc/15/06/66/765150666.db2.gz VHIPYMIAYHUVCM-QGZVFWFLSA-N 1 1 336.395 0.766 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)nc3C)C2)c1 ZINC001015679104 765150675 /nfs/dbraw/zinc/15/06/75/765150675.db2.gz UDKIOMRMHGNCRH-KRWDZBQOSA-N 1 1 338.415 0.776 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)c1 ZINC001015679511 765151815 /nfs/dbraw/zinc/15/18/15/765151815.db2.gz FIBWMEKYVQOTJQ-OAHLLOKOSA-N 1 1 340.383 0.016 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)c1 ZINC001015679511 765151817 /nfs/dbraw/zinc/15/18/17/765151817.db2.gz FIBWMEKYVQOTJQ-OAHLLOKOSA-N 1 1 340.383 0.016 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3nnc[nH]3)CC2)C1=O ZINC001052805283 765155427 /nfs/dbraw/zinc/15/54/27/765155427.db2.gz NXZHDFNNYLWSRW-OLZOCXBDSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001052805283 765155432 /nfs/dbraw/zinc/15/54/32/765155432.db2.gz NXZHDFNNYLWSRW-OLZOCXBDSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001052805283 765155436 /nfs/dbraw/zinc/15/54/36/765155436.db2.gz NXZHDFNNYLWSRW-OLZOCXBDSA-N 1 1 332.408 0.176 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001015697735 765183334 /nfs/dbraw/zinc/18/33/34/765183334.db2.gz ZKGZSFBYXIZBTN-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001052841574 765211871 /nfs/dbraw/zinc/21/18/71/765211871.db2.gz NXBWYDAOHZPYLX-GOEBONIOSA-N 1 1 348.447 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001052849225 765222616 /nfs/dbraw/zinc/22/26/16/765222616.db2.gz OVUQEMWIICZCAN-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001052849225 765222624 /nfs/dbraw/zinc/22/26/24/765222624.db2.gz OVUQEMWIICZCAN-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000992044075 765270263 /nfs/dbraw/zinc/27/02/63/765270263.db2.gz FEYHSPJNFDZCGW-OPFPJEHXSA-N 1 1 343.431 0.853 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)nc1 ZINC001052876644 765279365 /nfs/dbraw/zinc/27/93/65/765279365.db2.gz YNIVZMGYIUZKIE-DZGCQCFKSA-N 1 1 328.416 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)nc1 ZINC001052876654 765279644 /nfs/dbraw/zinc/27/96/44/765279644.db2.gz YPONLRBZSZFSKH-HNNXBMFYSA-N 1 1 340.427 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cn(C)nn3)CC2)cn1 ZINC001052878268 765284983 /nfs/dbraw/zinc/28/49/83/765284983.db2.gz FFRRDDHNGODGRO-INIZCTEOSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cn(C)nn3)CC2)cn1 ZINC001052878268 765284985 /nfs/dbraw/zinc/28/49/85/765284985.db2.gz FFRRDDHNGODGRO-INIZCTEOSA-N 1 1 338.415 0.976 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001015776963 765298619 /nfs/dbraw/zinc/29/86/19/765298619.db2.gz HXAZTYMDKCDFFE-GJZGRUSLSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001015776963 765298621 /nfs/dbraw/zinc/29/86/21/765298621.db2.gz HXAZTYMDKCDFFE-GJZGRUSLSA-N 1 1 331.420 0.169 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001052904988 765324578 /nfs/dbraw/zinc/32/45/78/765324578.db2.gz BSUWPKVRVPVUTJ-HNNXBMFYSA-N 1 1 335.452 0.827 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001015795289 765333121 /nfs/dbraw/zinc/33/31/21/765333121.db2.gz NXCLWIJOZSZQSJ-UKRRQHHQSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001015795289 765333133 /nfs/dbraw/zinc/33/31/33/765333133.db2.gz NXCLWIJOZSZQSJ-UKRRQHHQSA-N 1 1 331.420 0.494 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN([C@H](C)C(N)=O)CC2)CC1 ZINC001052954562 765410852 /nfs/dbraw/zinc/41/08/52/765410852.db2.gz OXDISGJRXMETKL-ZBFHGGJFSA-N 1 1 334.464 0.176 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C2)s1 ZINC001015836900 765411336 /nfs/dbraw/zinc/41/13/36/765411336.db2.gz KOKANOSJEWJTTK-LLVKDONJSA-N 1 1 346.412 0.363 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C2)s1 ZINC001015836900 765411338 /nfs/dbraw/zinc/41/13/38/765411338.db2.gz KOKANOSJEWJTTK-LLVKDONJSA-N 1 1 346.412 0.363 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001052959248 765414695 /nfs/dbraw/zinc/41/46/95/765414695.db2.gz SUFUBTHTEGBJHC-CYBMUJFWSA-N 1 1 334.424 0.314 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CNC(=O)C#CC1CC1 ZINC001052982970 765456149 /nfs/dbraw/zinc/45/61/49/765456149.db2.gz ZEJBKFNERXYMQB-WBVHZDCISA-N 1 1 347.459 0.333 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001053011445 765484183 /nfs/dbraw/zinc/48/41/83/765484183.db2.gz HBYBWUNNIQQCPS-LSDHHAIUSA-N 1 1 331.420 0.568 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001053029390 765501257 /nfs/dbraw/zinc/50/12/57/765501257.db2.gz RBCISHGRTWCWIU-IAGOWNOFSA-N 1 1 349.475 0.982 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001053031924 765505559 /nfs/dbraw/zinc/50/55/59/765505559.db2.gz MAGPSQBJHYZHOT-JKSUJKDBSA-N 1 1 347.463 0.718 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 ZINC000992107180 765508593 /nfs/dbraw/zinc/50/85/93/765508593.db2.gz JHMCLBVKHVUKPR-YJBOKZPZSA-N 1 1 334.464 0.498 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001053035517 765509732 /nfs/dbraw/zinc/50/97/32/765509732.db2.gz CSLDAEVVHXAFOD-LSDHHAIUSA-N 1 1 330.436 0.798 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cccc(OC)n3)C2)C1=O ZINC001015932913 765576120 /nfs/dbraw/zinc/57/61/20/765576120.db2.gz URKITTWNUWBABG-ZFWWWQNUSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cccc(OC)n3)C2)C1=O ZINC001015932913 765576124 /nfs/dbraw/zinc/57/61/24/765576124.db2.gz URKITTWNUWBABG-ZFWWWQNUSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnc(OC)nc3)C2)C1=O ZINC001015938049 765581133 /nfs/dbraw/zinc/58/11/33/765581133.db2.gz IIBUCPGOTOQRFF-ZIAGYGMSSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnc(OC)nc3)C2)C1=O ZINC001015938049 765581136 /nfs/dbraw/zinc/58/11/36/765581136.db2.gz IIBUCPGOTOQRFF-ZIAGYGMSSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC001015969499 765639931 /nfs/dbraw/zinc/63/99/31/765639931.db2.gz UZERUGKTVFUFJY-OLZOCXBDSA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001015969499 765639948 /nfs/dbraw/zinc/63/99/48/765639948.db2.gz UZERUGKTVFUFJY-OLZOCXBDSA-N 1 1 332.404 0.714 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001017706137 768310849 /nfs/dbraw/zinc/31/08/49/768310849.db2.gz JKKDJUBPVWYGKJ-TXEJJXNPSA-N 1 1 337.401 0.239 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001017706137 768310855 /nfs/dbraw/zinc/31/08/55/768310855.db2.gz JKKDJUBPVWYGKJ-TXEJJXNPSA-N 1 1 337.401 0.239 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992162355 765721092 /nfs/dbraw/zinc/72/10/92/765721092.db2.gz RTAWWWBVSQDGEH-QAPCUYQASA-N 1 1 342.399 0.665 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992162355 765721097 /nfs/dbraw/zinc/72/10/97/765721097.db2.gz RTAWWWBVSQDGEH-QAPCUYQASA-N 1 1 342.399 0.665 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(CC=C)C3=O)C2)cn1 ZINC001016031814 765734515 /nfs/dbraw/zinc/73/45/15/765734515.db2.gz RVYIIBXLPRMBQM-SJORKVTESA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(CC=C)C3=O)C2)cn1 ZINC001016031814 765734524 /nfs/dbraw/zinc/73/45/24/765734524.db2.gz RVYIIBXLPRMBQM-SJORKVTESA-N 1 1 338.411 0.654 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C#N ZINC001106104920 765756864 /nfs/dbraw/zinc/75/68/64/765756864.db2.gz QYTAECJTUUZUPA-SWLSCSKDSA-N 1 1 331.420 0.493 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)c1 ZINC000992178759 765785728 /nfs/dbraw/zinc/78/57/28/765785728.db2.gz OQQVAWZSTCLNKY-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001016109102 765792653 /nfs/dbraw/zinc/79/26/53/765792653.db2.gz ZEQXJJOJQNHCJS-ZFWWWQNUSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001016109102 765792656 /nfs/dbraw/zinc/79/26/56/765792656.db2.gz ZEQXJJOJQNHCJS-ZFWWWQNUSA-N 1 1 331.420 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ncoc2C)C1 ZINC000992205215 765885120 /nfs/dbraw/zinc/88/51/20/765885120.db2.gz DQKQEIDSKIVJKQ-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ncoc2C)C1 ZINC000992205215 765885124 /nfs/dbraw/zinc/88/51/24/765885124.db2.gz DQKQEIDSKIVJKQ-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cnco2)C1 ZINC000992208599 765902683 /nfs/dbraw/zinc/90/26/83/765902683.db2.gz RGUPKYZFCGKKPA-RUXDESIVSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cnco2)C1 ZINC000992208599 765902690 /nfs/dbraw/zinc/90/26/90/765902690.db2.gz RGUPKYZFCGKKPA-RUXDESIVSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)CCO2 ZINC001053284915 765904540 /nfs/dbraw/zinc/90/45/40/765904540.db2.gz GVBBOAGMGVHBQP-KRWDZBQOSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc(C)no2)C1 ZINC001016240824 765961177 /nfs/dbraw/zinc/96/11/77/765961177.db2.gz PHVSDHLTDLCFSO-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc(C)no2)C1 ZINC001016240824 765961185 /nfs/dbraw/zinc/96/11/85/765961185.db2.gz PHVSDHLTDLCFSO-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2[nH]cnc2C)C1 ZINC000992229362 765990745 /nfs/dbraw/zinc/99/07/45/765990745.db2.gz HHAUEOSGCWPBDU-NRXISQOPSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2[nH]cnc2C)C1 ZINC000992229362 765990751 /nfs/dbraw/zinc/99/07/51/765990751.db2.gz HHAUEOSGCWPBDU-NRXISQOPSA-N 1 1 343.431 0.440 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccnc(OC)n1)CCO2 ZINC001053336190 765995191 /nfs/dbraw/zinc/99/51/91/765995191.db2.gz RIFNMXNRCYDWFR-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)Cn1c[nH+]c3c1CCCC3)CCO2 ZINC001053342478 766004398 /nfs/dbraw/zinc/00/43/98/766004398.db2.gz ACAISTIBQGHYSB-UHFFFAOYSA-N 1 1 330.432 0.861 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001016284669 766036950 /nfs/dbraw/zinc/03/69/50/766036950.db2.gz SRKHVXVFMVYQNV-DZGCQCFKSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001016284669 766036958 /nfs/dbraw/zinc/03/69/58/766036958.db2.gz SRKHVXVFMVYQNV-DZGCQCFKSA-N 1 1 329.404 0.376 20 30 ECEDMO CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001017748324 768344833 /nfs/dbraw/zinc/34/48/33/768344833.db2.gz NYVUDGFTZZNDAE-XFHVWQCUSA-N 1 1 329.444 0.548 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CCO2 ZINC001053392706 766073103 /nfs/dbraw/zinc/07/31/03/766073103.db2.gz FMGAGUCTIAAXDK-MRXNPFEDSA-N 1 1 335.448 0.032 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)CCO2 ZINC001053392706 766073107 /nfs/dbraw/zinc/07/31/07/766073107.db2.gz FMGAGUCTIAAXDK-MRXNPFEDSA-N 1 1 335.448 0.032 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 ZINC001053422044 766106111 /nfs/dbraw/zinc/10/61/11/766106111.db2.gz VMEHQTJEVPNDFZ-UHFFFAOYSA-N 1 1 331.416 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCOC3(C[NH+](C[C@@H]4CCOC4)C3)C2)c1 ZINC001053422088 766106117 /nfs/dbraw/zinc/10/61/17/766106117.db2.gz DELQDMPAPFOQAN-INIZCTEOSA-N 1 1 341.411 0.626 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)Cn1nnnc1C(C)C)CCO2 ZINC001053464085 766176326 /nfs/dbraw/zinc/17/63/26/766176326.db2.gz YUDIPNYOYKTIKW-UHFFFAOYSA-N 1 1 348.451 0.676 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](C[C@@H]4CCOC4)C3)C2)cn1 ZINC001053511886 766264463 /nfs/dbraw/zinc/26/44/63/766264463.db2.gz GOCPJCYMUYYNME-HNNXBMFYSA-N 1 1 341.411 0.626 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(C)=O)CCO2 ZINC001053513726 766266609 /nfs/dbraw/zinc/26/66/09/766266609.db2.gz VNKPIQBTGRGADN-INIZCTEOSA-N 1 1 335.448 0.877 20 30 ECEDMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016429371 766284252 /nfs/dbraw/zinc/28/42/52/766284252.db2.gz GNISARMVUMGECJ-HZPDHXFCSA-N 1 1 339.395 0.281 20 30 ECEDMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016429371 766284256 /nfs/dbraw/zinc/28/42/56/766284256.db2.gz GNISARMVUMGECJ-HZPDHXFCSA-N 1 1 339.395 0.281 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)c1 ZINC001016433098 766290814 /nfs/dbraw/zinc/29/08/14/766290814.db2.gz XZYJPGIEJRODQL-LSDHHAIUSA-N 1 1 340.383 0.302 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCc3nncn3C1)CCO2 ZINC001053541051 766307313 /nfs/dbraw/zinc/30/73/13/766307313.db2.gz QLESGSVSKJWXSD-OAHLLOKOSA-N 1 1 345.447 0.720 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC(=O)N(C)C1)CCO2 ZINC001053542496 766308871 /nfs/dbraw/zinc/30/88/71/766308871.db2.gz IMCWSEFJZFSNNI-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001106483712 768364354 /nfs/dbraw/zinc/36/43/54/768364354.db2.gz FBLBBGSBTQQPHC-NSHDSACASA-N 1 1 343.391 0.440 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001045773098 766351531 /nfs/dbraw/zinc/35/15/31/766351531.db2.gz WGKQUAJRYFCFTQ-GOEBONIOSA-N 1 1 349.475 0.620 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001045784621 766367641 /nfs/dbraw/zinc/36/76/41/766367641.db2.gz DKVBMUKTESZDMQ-MRXNPFEDSA-N 1 1 334.420 0.483 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001045785288 766369048 /nfs/dbraw/zinc/36/90/48/766369048.db2.gz LPPQTBOHJMZHMA-LSDHHAIUSA-N 1 1 349.475 0.620 20 30 ECEDMO COC[C@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)O2 ZINC001053590256 766383777 /nfs/dbraw/zinc/38/37/77/766383777.db2.gz CYGVZIKIMYAAIU-JSGCOSHPSA-N 1 1 332.404 0.884 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(OC)ncn1)O2 ZINC001053599509 766406354 /nfs/dbraw/zinc/40/63/54/766406354.db2.gz VIUQCDCRFTVUOB-ZDUSSCGKSA-N 1 1 330.388 0.472 20 30 ECEDMO N#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)O2 ZINC001053608878 766425669 /nfs/dbraw/zinc/42/56/69/766425669.db2.gz NKWQINAPTGSXJT-ZIAGYGMSSA-N 1 1 329.404 0.634 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3n[nH]nc3c1)O2 ZINC001053611584 766433089 /nfs/dbraw/zinc/43/30/89/766433089.db2.gz UMZMHHVFSCEDRI-CYBMUJFWSA-N 1 1 340.387 0.339 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@H]12 ZINC000992377893 766434320 /nfs/dbraw/zinc/43/43/20/766434320.db2.gz IXBTXQSNQKOALW-SJCJKPOMSA-N 1 1 332.404 0.063 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](C)O)nn1 ZINC001045861931 766441396 /nfs/dbraw/zinc/44/13/96/766441396.db2.gz LIZULDGQBRDFNL-ZNMIVQPWSA-N 1 1 333.436 0.914 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn3cccnc3n1)O2 ZINC001053620264 766452950 /nfs/dbraw/zinc/45/29/50/766452950.db2.gz IZZGYCPUYZVYIU-CQSZACIVSA-N 1 1 339.399 0.716 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@H]12 ZINC000992392499 766464746 /nfs/dbraw/zinc/46/47/46/766464746.db2.gz BGCYBCLXQSPBKS-GUYCJALGSA-N 1 1 334.420 0.570 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=O)NC)CC3)cn1 ZINC000992403177 766491722 /nfs/dbraw/zinc/49/17/22/766491722.db2.gz AXXIZXRRFJTKLB-MAUKXSAKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)NC)CC3)cn1 ZINC000992403177 766491724 /nfs/dbraw/zinc/49/17/24/766491724.db2.gz AXXIZXRRFJTKLB-MAUKXSAKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)O2 ZINC001053639532 766496331 /nfs/dbraw/zinc/49/63/31/766496331.db2.gz SSEHOHFRAYHMDD-NEXGVSGLSA-N 1 1 330.428 0.783 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000992405920 766500648 /nfs/dbraw/zinc/50/06/48/766500648.db2.gz JUULUUIEMDLUSO-JJXSEGSLSA-N 1 1 335.448 0.635 20 30 ECEDMO O=C(C#CC1CC1)N1CCCC[C@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001045938027 766509584 /nfs/dbraw/zinc/50/95/84/766509584.db2.gz QLLMXYJKHRBEAC-QFBILLFUSA-N 1 1 329.444 0.993 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCOCC1=O)C2 ZINC001045944208 766515299 /nfs/dbraw/zinc/51/52/99/766515299.db2.gz ZWYQDKFSSSACSU-IBGZPJMESA-N 1 1 347.459 0.573 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCOCC1=O)C2 ZINC001045944076 766515749 /nfs/dbraw/zinc/51/57/49/766515749.db2.gz WOTBGGWHGJPVQW-IBGZPJMESA-N 1 1 347.459 0.573 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 ZINC001045955609 766526129 /nfs/dbraw/zinc/52/61/29/766526129.db2.gz IIKNYHUMVADFPF-MAUKXSAKSA-N 1 1 332.448 0.738 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)ccc3=O)CCC[C@H]12 ZINC000992428959 766549895 /nfs/dbraw/zinc/54/98/95/766549895.db2.gz XEWAYSIKDGAOIJ-MAUKXSAKSA-N 1 1 328.416 0.688 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001045983498 766555248 /nfs/dbraw/zinc/55/52/48/766555248.db2.gz ONEUPHYNPCHHSV-SFHVURJKSA-N 1 1 346.431 0.266 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cn(C)c(=O)n1C)C2 ZINC001045985749 766557366 /nfs/dbraw/zinc/55/73/66/766557366.db2.gz BKUIMCJEYHDBDB-GOSISDBHSA-N 1 1 330.432 0.675 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001045988597 766562891 /nfs/dbraw/zinc/56/28/91/766562891.db2.gz RSANGDLAEPDWFM-HNAYVOBHSA-N 1 1 345.443 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnc(C3CC3)o2)C1 ZINC000994723087 766572588 /nfs/dbraw/zinc/57/25/88/766572588.db2.gz HDLNJBVRUPZBKG-AWEZNQCLSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnc(C3CC3)o2)C1 ZINC000994723087 766572593 /nfs/dbraw/zinc/57/25/93/766572593.db2.gz HDLNJBVRUPZBKG-AWEZNQCLSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C(C)C)nn1)O2 ZINC001053685295 766583649 /nfs/dbraw/zinc/58/36/49/766583649.db2.gz MABQAGSAYXXFMV-CQSZACIVSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccn(C)c1=O)O2 ZINC001053686557 766588596 /nfs/dbraw/zinc/58/85/96/766588596.db2.gz SLWVZIYZAKAHPF-CQSZACIVSA-N 1 1 329.400 0.372 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCOCCCC)C[C@H]1OC ZINC001212257961 766596025 /nfs/dbraw/zinc/59/60/25/766596025.db2.gz KUECQTPVFICBCC-HZPDHXFCSA-N 1 1 326.437 0.658 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC3(C[NH+](CCCO)C3)O2)nc1 ZINC001053691435 766599226 /nfs/dbraw/zinc/59/92/26/766599226.db2.gz XOONWKAGQRWOBK-OAHLLOKOSA-N 1 1 329.400 0.409 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3cncn3)CC2)C1 ZINC001046001645 766603283 /nfs/dbraw/zinc/60/32/83/766603283.db2.gz DFDUIMBBSKBBMA-QGZVFWFLSA-N 1 1 346.479 0.853 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12 ZINC000992453656 766612839 /nfs/dbraw/zinc/61/28/39/766612839.db2.gz HPSAMODVYAGFLJ-PBHICJAKSA-N 1 1 333.436 0.580 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@H]12 ZINC000992453674 766612921 /nfs/dbraw/zinc/61/29/21/766612921.db2.gz HPSAMODVYAGFLJ-YOEHRIQHSA-N 1 1 333.436 0.580 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cncnc3C)CC2)C1 ZINC001046005996 766613127 /nfs/dbraw/zinc/61/31/27/766613127.db2.gz DCZCRUMIBLDJBL-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc(C)cn3)CC2)C1 ZINC001046006244 766615523 /nfs/dbraw/zinc/61/55/23/766615523.db2.gz HWGVYIXWCLIUKS-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1noc3c1COCC3)O2 ZINC001053699096 766615775 /nfs/dbraw/zinc/61/57/75/766615775.db2.gz AIAJIIGNQODCNV-ZDUSSCGKSA-N 1 1 345.399 0.734 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc(C)cn3)CC2)C1 ZINC001046007021 766618523 /nfs/dbraw/zinc/61/85/23/766618523.db2.gz YBOISPMVPIIPTD-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)nc1)O2 ZINC001053704016 766627923 /nfs/dbraw/zinc/62/79/23/766627923.db2.gz SYDSXGRCWUUPDT-CQSZACIVSA-N 1 1 342.399 0.167 20 30 ECEDMO Cc1ncc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046011541 766635861 /nfs/dbraw/zinc/63/58/61/766635861.db2.gz DOXGDEHRLCHFCH-ZFWWWQNUSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1cnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046012797 766640738 /nfs/dbraw/zinc/64/07/38/766640738.db2.gz QEKNNKGKEUPYSO-DZGCQCFKSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1cnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046012797 766640746 /nfs/dbraw/zinc/64/07/46/766640746.db2.gz QEKNNKGKEUPYSO-DZGCQCFKSA-N 1 1 331.420 0.861 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12 ZINC000992466954 766644365 /nfs/dbraw/zinc/64/43/65/766644365.db2.gz SSJLMGJDIGQRBE-DYVFJYSZSA-N 1 1 334.420 0.570 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)Cc3nc4ncccn4n3)CCC[C@@H]12 ZINC000992470096 766646226 /nfs/dbraw/zinc/64/62/26/766646226.db2.gz ACXKBFCIFGBUTH-CXAGYDPISA-N 1 1 326.404 0.966 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nnn(C)c3C)CC2)C1 ZINC001046015920 766649690 /nfs/dbraw/zinc/64/96/90/766649690.db2.gz YLYUCFOYTZNOSI-HNNXBMFYSA-N 1 1 332.452 0.532 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046022211 766668555 /nfs/dbraw/zinc/66/85/55/766668555.db2.gz PQHWFLQIFXMAQM-INIZCTEOSA-N 1 1 325.416 0.742 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046028405 766691147 /nfs/dbraw/zinc/69/11/47/766691147.db2.gz BHQXRJUIXUBDCI-IRXDYDNUSA-N 1 1 333.480 0.601 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnnn3CC)CC2)C1 ZINC001046028428 766691783 /nfs/dbraw/zinc/69/17/83/766691783.db2.gz BTYUVCZTLGGUAN-OAHLLOKOSA-N 1 1 330.436 0.153 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001046030831 766699776 /nfs/dbraw/zinc/69/97/76/766699776.db2.gz CNOPMBOCAMWGMR-IXDOHACOSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2nocc2C)C1 ZINC001016670422 766700310 /nfs/dbraw/zinc/70/03/10/766700310.db2.gz OMKUXXASYFQBAK-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2nocc2C)C1 ZINC001016670422 766700315 /nfs/dbraw/zinc/70/03/15/766700315.db2.gz OMKUXXASYFQBAK-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@H]12 ZINC000992489833 766700719 /nfs/dbraw/zinc/70/07/19/766700719.db2.gz CWXQHQGMZPHQHP-KCQAQPDRSA-N 1 1 327.450 0.367 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033433 766708020 /nfs/dbraw/zinc/70/80/20/766708020.db2.gz FSMWKBQRQIHURH-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046035047 766717231 /nfs/dbraw/zinc/71/72/31/766717231.db2.gz CHDIRZGCERSGBL-IAGOWNOFSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cncc(C(N)=O)c3)CCC[C@@H]12 ZINC000992499605 766720443 /nfs/dbraw/zinc/72/04/43/766720443.db2.gz NMVHRGASEBVJSH-CRAIPNDOSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000994756133 766723611 /nfs/dbraw/zinc/72/36/11/766723611.db2.gz UIJSREAGWCZTQY-ZOBUZTSGSA-N 1 1 346.475 0.141 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046035985 766724714 /nfs/dbraw/zinc/72/47/14/766724714.db2.gz XURLDOJUHKJHNW-MSOLQXFVSA-N 1 1 347.507 0.706 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)C1 ZINC001046036475 766727446 /nfs/dbraw/zinc/72/74/46/766727446.db2.gz LAODSRAFPUMUOG-VQIMIIECSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cn(C)nc3C)CC2)C1 ZINC001046037186 766732513 /nfs/dbraw/zinc/73/25/13/766732513.db2.gz VFESUXBBXFJOQR-KRWDZBQOSA-N 1 1 329.448 0.123 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1 ZINC001046037431 766733567 /nfs/dbraw/zinc/73/35/67/766733567.db2.gz PDGZFBGLWOANJR-CQSZACIVSA-N 1 1 331.420 0.279 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)COc3cc(C)on3)CC2)C1 ZINC001046037461 766734038 /nfs/dbraw/zinc/73/40/38/766734038.db2.gz PVRVBSXRWHOCKT-MRXNPFEDSA-N 1 1 346.431 0.604 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncc(COC)c3)CC2)C1 ZINC001046037392 766734235 /nfs/dbraw/zinc/73/42/35/766734235.db2.gz YRVNTIZGFPQTNF-GOSISDBHSA-N 1 1 342.443 0.693 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC001046037607 766735026 /nfs/dbraw/zinc/73/50/26/766735026.db2.gz UPTGYRQXBOURQR-OAHLLOKOSA-N 1 1 336.480 0.683 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046037846 766736373 /nfs/dbraw/zinc/73/63/73/766736373.db2.gz ARXXUVCNQAYLHU-QFBILLFUSA-N 1 1 348.491 0.697 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC001046040230 766745023 /nfs/dbraw/zinc/74/50/23/766745023.db2.gz HHCAROBGSDWAIY-SJORKVTESA-N 1 1 343.475 0.850 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3Cl)CC2)C1 ZINC001046041584 766752350 /nfs/dbraw/zinc/75/23/50/766752350.db2.gz SIOYRYIBZBBONN-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)C1 ZINC001046041944 766753700 /nfs/dbraw/zinc/75/37/00/766753700.db2.gz VCZLDUDZBJTCGU-QGZVFWFLSA-N 1 1 342.443 0.804 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3snnc3CC)CC2)C1 ZINC001046041679 766753830 /nfs/dbraw/zinc/75/38/30/766753830.db2.gz MMXZMICYIVVDMF-CYBMUJFWSA-N 1 1 333.461 0.566 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)COC2CCCCC2)C1 ZINC000994767872 766762900 /nfs/dbraw/zinc/76/29/00/766762900.db2.gz HWHQBISHCNENCV-KRWDZBQOSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)COC2CCCCC2)C1 ZINC000994767872 766762906 /nfs/dbraw/zinc/76/29/06/766762906.db2.gz HWHQBISHCNENCV-KRWDZBQOSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001046046767 766776503 /nfs/dbraw/zinc/77/65/03/766776503.db2.gz INQHODWAWDFIOY-RFSXOUPVSA-N 1 1 329.444 0.262 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC001046046958 766776606 /nfs/dbraw/zinc/77/66/06/766776606.db2.gz JSFCXFSRAKVKNM-AWEZNQCLSA-N 1 1 332.404 0.397 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC001046050862 766789511 /nfs/dbraw/zinc/78/95/11/766789511.db2.gz RUJHZCBVCCQKDM-AWEZNQCLSA-N 1 1 333.436 0.447 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046055664 766806756 /nfs/dbraw/zinc/80/67/56/766806756.db2.gz HPFWXRNYHIQNOY-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046056304 766808847 /nfs/dbraw/zinc/80/88/47/766808847.db2.gz QCLPTZUHAPWWTJ-VQIMIIECSA-N 1 1 346.475 0.145 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(F)CCOC3)CC2)C1 ZINC001046057336 766815745 /nfs/dbraw/zinc/81/57/45/766815745.db2.gz YOMOKFPUXDZKGT-DOTOQJQBSA-N 1 1 325.428 0.910 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@@H]3CC[N@H+](CC(=O)NC)C3)CC2)C1 ZINC001046060219 766826969 /nfs/dbraw/zinc/82/69/69/766826969.db2.gz XSXLYDITUQCLTB-OAHLLOKOSA-N 1 1 334.464 0.307 20 30 ECEDMO O=C(CN1CCOCC1)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007117096 766830339 /nfs/dbraw/zinc/83/03/39/766830339.db2.gz ODYIATDFSYVGEE-LJQANCHMSA-N 1 1 341.455 0.951 20 30 ECEDMO O=C(CN1CCOCC1)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007117096 766830341 /nfs/dbraw/zinc/83/03/41/766830341.db2.gz ODYIATDFSYVGEE-LJQANCHMSA-N 1 1 341.455 0.951 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cn[nH]n3)CC2)C1 ZINC001046062363 766833669 /nfs/dbraw/zinc/83/36/69/766833669.db2.gz FZQIHWATLHLYKI-QGZVFWFLSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001046062363 766833678 /nfs/dbraw/zinc/83/36/78/766833678.db2.gz FZQIHWATLHLYKI-QGZVFWFLSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001046062363 766833687 /nfs/dbraw/zinc/83/36/87/766833687.db2.gz FZQIHWATLHLYKI-QGZVFWFLSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001046062363 766833697 /nfs/dbraw/zinc/83/36/97/766833697.db2.gz FZQIHWATLHLYKI-QGZVFWFLSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001046062363 766833707 /nfs/dbraw/zinc/83/37/07/766833707.db2.gz FZQIHWATLHLYKI-QGZVFWFLSA-N 1 1 346.479 0.922 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001042000551 782580666 /nfs/dbraw/zinc/58/06/66/782580666.db2.gz NPTIVWRIKPEQNJ-CJNGLKHVSA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001042000551 782580677 /nfs/dbraw/zinc/58/06/77/782580677.db2.gz NPTIVWRIKPEQNJ-CJNGLKHVSA-N 1 1 339.403 0.751 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccnc(OC)c3)CC2)C1 ZINC001046064318 766841494 /nfs/dbraw/zinc/84/14/94/766841494.db2.gz KYAGSYJFPVRQDH-KRWDZBQOSA-N 1 1 342.443 0.484 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC001046064069 766841856 /nfs/dbraw/zinc/84/18/56/766841856.db2.gz DVEKLVKRZSBKFT-ZACQAIPSSA-N 1 1 348.491 0.505 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001016752231 766846586 /nfs/dbraw/zinc/84/65/86/766846586.db2.gz TXZFFGHSPRJRMK-UHFFFAOYSA-N 1 1 340.387 0.811 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC001046067133 766857303 /nfs/dbraw/zinc/85/73/03/766857303.db2.gz SUNGTPYGPAWLRI-MRXNPFEDSA-N 1 1 349.866 0.778 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@@H]3CC[N@H+](CC(C)C)C3)CC2)nn1 ZINC001046068109 766861016 /nfs/dbraw/zinc/86/10/16/766861016.db2.gz DCDIXTHTOSJDQF-MRXNPFEDSA-N 1 1 346.479 0.952 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cn[nH]c3)CC2)C1 ZINC001046068612 766862331 /nfs/dbraw/zinc/86/23/31/766862331.db2.gz PCALJLVBEZHPGZ-QGZVFWFLSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc4ncccn4n3)CC2)C1 ZINC001046072556 766880994 /nfs/dbraw/zinc/88/09/94/766880994.db2.gz IAWSMLVAYLVFAX-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001016767078 766882635 /nfs/dbraw/zinc/88/26/35/766882635.db2.gz WFHAKIYRHADEDC-LRVUVFPRSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC001046073034 766883623 /nfs/dbraw/zinc/88/36/23/766883623.db2.gz UXQDRXONNCYLJL-KRWDZBQOSA-N 1 1 341.459 0.651 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]c(C)n2)nn1 ZINC001106135264 766901377 /nfs/dbraw/zinc/90/13/77/766901377.db2.gz PMFDREVKQMBSKE-CYBMUJFWSA-N 1 1 345.407 0.464 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c4c(nn3C)CCC4)CC2)C1 ZINC001046076654 766904277 /nfs/dbraw/zinc/90/42/77/766904277.db2.gz OEAYHWDLZZUKFE-OAHLLOKOSA-N 1 1 343.475 0.927 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC001046077127 766906360 /nfs/dbraw/zinc/90/63/60/766906360.db2.gz KIFYRNUXTWANHX-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3Cl)CC2)C1 ZINC001046077321 766906767 /nfs/dbraw/zinc/90/67/67/766906767.db2.gz MJMGUDFVAPUPIR-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC001046077751 766909322 /nfs/dbraw/zinc/90/93/22/766909322.db2.gz YLMBXSUVBXTMHU-INIZCTEOSA-N 1 1 331.464 0.757 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC001046081720 766920178 /nfs/dbraw/zinc/92/01/78/766920178.db2.gz KBESBLKCWOOFQX-QGZVFWFLSA-N 1 1 346.475 0.241 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)C1 ZINC001046082080 766921105 /nfs/dbraw/zinc/92/11/05/766921105.db2.gz MVGLISGJBIRSQT-INIZCTEOSA-N 1 1 331.464 0.974 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083185 766922800 /nfs/dbraw/zinc/92/28/00/766922800.db2.gz LWPPYYVPFCACBV-CQSZACIVSA-N 1 1 338.843 0.249 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083185 766922801 /nfs/dbraw/zinc/92/28/01/766922801.db2.gz LWPPYYVPFCACBV-CQSZACIVSA-N 1 1 338.843 0.249 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncc4n3CCCC4)CC2)C1 ZINC001046085630 766927405 /nfs/dbraw/zinc/92/74/05/766927405.db2.gz HXJAZVCLSXNHHJ-QGZVFWFLSA-N 1 1 341.459 0.685 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1C[NH+]([C@@H]2CCN(CC)C2=O)C1 ZINC001031733529 766928168 /nfs/dbraw/zinc/92/81/68/766928168.db2.gz DPOHLILQNBOEDY-MRXNPFEDSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046086081 766928186 /nfs/dbraw/zinc/92/81/86/766928186.db2.gz SXVKSLFJWRSLNE-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046086353 766928513 /nfs/dbraw/zinc/92/85/13/766928513.db2.gz WDLYNGHFWNVVMU-DLBZAZTESA-N 1 1 333.480 0.603 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046086537 766928526 /nfs/dbraw/zinc/92/85/26/766928526.db2.gz WIJAOHJCMNGURX-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)C3=COCCO3)C2)C1=O ZINC001046113176 766941017 /nfs/dbraw/zinc/94/10/17/766941017.db2.gz DJGLAIIXNZBIOU-SUMWQHHRSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)C3=COCCO3)C2)C1=O ZINC001046113176 766941020 /nfs/dbraw/zinc/94/10/20/766941020.db2.gz DJGLAIIXNZBIOU-SUMWQHHRSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001046116680 766943808 /nfs/dbraw/zinc/94/38/08/766943808.db2.gz BSJOSPZNNXBIQP-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001046116680 766943813 /nfs/dbraw/zinc/94/38/13/766943813.db2.gz BSJOSPZNNXBIQP-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CO2 ZINC001053826629 766951094 /nfs/dbraw/zinc/95/10/94/766951094.db2.gz GKSBYZYKTNLRIX-NVXWUHKLSA-N 1 1 347.459 0.223 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCC(=O)NC1)CO2 ZINC001053827153 766954964 /nfs/dbraw/zinc/95/49/64/766954964.db2.gz SNBZGMZXSRINSA-GJZGRUSLSA-N 1 1 335.448 0.828 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C)no3)C2)C1=O ZINC001046132221 766965734 /nfs/dbraw/zinc/96/57/34/766965734.db2.gz CIQVGXZRZLJRLZ-DYVFJYSZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C)no3)C2)C1=O ZINC001046132221 766965743 /nfs/dbraw/zinc/96/57/43/766965743.db2.gz CIQVGXZRZLJRLZ-DYVFJYSZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001042007914 782591565 /nfs/dbraw/zinc/59/15/65/782591565.db2.gz YESJVFVBTZDVST-VXGBXAGGSA-N 1 1 325.800 0.659 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001042007914 782591577 /nfs/dbraw/zinc/59/15/77/782591577.db2.gz YESJVFVBTZDVST-VXGBXAGGSA-N 1 1 325.800 0.659 20 30 ECEDMO C[C@@H]1OCCO[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031743256 767000984 /nfs/dbraw/zinc/00/09/84/767000984.db2.gz KZNMYMISDJVVIE-YJBOKZPZSA-N 1 1 328.412 0.890 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCn3cncc3C1)CO2 ZINC001053850962 767016670 /nfs/dbraw/zinc/01/66/70/767016670.db2.gz HLKCIBAFGARVAN-LSDHHAIUSA-N 1 1 330.432 0.981 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)c[nH]1 ZINC000994854442 767036074 /nfs/dbraw/zinc/03/60/74/767036074.db2.gz KVOBCNJAALVXBA-HOTGVXAUSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)[nH]1 ZINC000994855564 767043528 /nfs/dbraw/zinc/04/35/28/767043528.db2.gz RKVFVVCLGYESRZ-GOEBONIOSA-N 1 1 341.415 0.844 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)c1 ZINC001083765624 767070429 /nfs/dbraw/zinc/07/04/29/767070429.db2.gz MLEBKDSYBOJVSW-CVEARBPZSA-N 1 1 342.424 0.537 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)c1 ZINC001083765624 767070435 /nfs/dbraw/zinc/07/04/35/767070435.db2.gz MLEBKDSYBOJVSW-CVEARBPZSA-N 1 1 342.424 0.537 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001046220680 767089716 /nfs/dbraw/zinc/08/97/16/767089716.db2.gz VOUFIBBBFTVVPG-IEBWSBKVSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001046220680 767089728 /nfs/dbraw/zinc/08/97/28/767089728.db2.gz VOUFIBBBFTVVPG-IEBWSBKVSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001046240216 767104521 /nfs/dbraw/zinc/10/45/21/767104521.db2.gz QCKIJVFXIWHCEQ-WMLDXEAASA-N 1 1 342.403 0.338 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC000938756611 767107332 /nfs/dbraw/zinc/10/73/32/767107332.db2.gz TYYUSYNLPZCYBG-CVEARBPZSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC000938756611 767107338 /nfs/dbraw/zinc/10/73/38/767107338.db2.gz TYYUSYNLPZCYBG-CVEARBPZSA-N 1 1 343.431 0.109 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046248235 767107932 /nfs/dbraw/zinc/10/79/32/767107932.db2.gz NESOAUUJLIZBCB-DIFFPNOSSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046248235 767107938 /nfs/dbraw/zinc/10/79/38/767107938.db2.gz NESOAUUJLIZBCB-DIFFPNOSSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000938824499 767122594 /nfs/dbraw/zinc/12/25/94/767122594.db2.gz FKPHFVZPOQZPRE-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001089729063 767133195 /nfs/dbraw/zinc/13/31/95/767133195.db2.gz HFCPSEGJIIKTOE-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001089732344 767135212 /nfs/dbraw/zinc/13/52/12/767135212.db2.gz SRQJXYFMNXWXGC-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001089734894 767136641 /nfs/dbraw/zinc/13/66/41/767136641.db2.gz CYLLSMPAMXJURO-ZDUSSCGKSA-N 1 1 348.451 0.560 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c(C)ncn3C)C2)C1=O ZINC001031747852 767140672 /nfs/dbraw/zinc/14/06/72/767140672.db2.gz QICVHCQLSGZYTL-CQSZACIVSA-N 1 1 331.420 0.177 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001046311793 767141022 /nfs/dbraw/zinc/14/10/22/767141022.db2.gz LPIJPSUJYUWDMC-ZDUSSCGKSA-N 1 1 335.448 0.374 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(=O)[nH]n1 ZINC001089765667 767147995 /nfs/dbraw/zinc/14/79/95/767147995.db2.gz IAPJKJNVSQQNEX-AYDFFVQHSA-N 1 1 326.400 0.988 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cnnn1 ZINC001089768839 767149737 /nfs/dbraw/zinc/14/97/37/767149737.db2.gz DCQWWDMRDPIUNT-JONQDZQNSA-N 1 1 330.436 0.808 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCC3(F)F)C2)C1=O ZINC001031758024 767160129 /nfs/dbraw/zinc/16/01/29/767160129.db2.gz MJRCJYGWSRCTBE-STQMWFEESA-N 1 1 327.375 0.867 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@H](OC)C1 ZINC001212289806 767162904 /nfs/dbraw/zinc/16/29/04/767162904.db2.gz PWDBBPHLGUYMCC-GDBMZVCRSA-N 1 1 349.435 0.635 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@H](OC)C1 ZINC001212289806 767162906 /nfs/dbraw/zinc/16/29/06/767162906.db2.gz PWDBBPHLGUYMCC-GDBMZVCRSA-N 1 1 349.435 0.635 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nccnc1N ZINC001089787251 767178803 /nfs/dbraw/zinc/17/88/03/767178803.db2.gz MCOZAEMAZJGVDB-XQLPTFJDSA-N 1 1 325.416 0.865 20 30 ECEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@H](OC)C1 ZINC001212322825 767214993 /nfs/dbraw/zinc/21/49/93/767214993.db2.gz JWYJUNRSMJMVNA-NWANDNLSSA-N 1 1 344.419 0.908 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CN=NC1=O ZINC001089794328 767216047 /nfs/dbraw/zinc/21/60/47/767216047.db2.gz DCDCARRHSXMDIZ-YJNKXOJESA-N 1 1 331.420 0.729 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001046447314 767231801 /nfs/dbraw/zinc/23/18/01/767231801.db2.gz XKKILSGQOOLWIG-AWEZNQCLSA-N 1 1 327.406 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2cnoc2)C1 ZINC001016906562 767235223 /nfs/dbraw/zinc/23/52/23/767235223.db2.gz VCOGTTOXHHBDQF-GPANFISMSA-N 1 1 344.415 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2cnoc2)C1 ZINC001016906562 767235231 /nfs/dbraw/zinc/23/52/31/767235231.db2.gz VCOGTTOXHHBDQF-GPANFISMSA-N 1 1 344.415 0.420 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccnnc3C)C2)C1=O ZINC001046457036 767239305 /nfs/dbraw/zinc/23/93/05/767239305.db2.gz WNEJNJHKBSQKTI-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccnnc3C)C2)C1=O ZINC001046457036 767239306 /nfs/dbraw/zinc/23/93/06/767239306.db2.gz WNEJNJHKBSQKTI-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001046508496 767268806 /nfs/dbraw/zinc/26/88/06/767268806.db2.gz SXKMFZVSRFSSNF-MRXNPFEDSA-N 1 1 325.376 0.275 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001046522601 767277233 /nfs/dbraw/zinc/27/72/33/767277233.db2.gz UNDWBFRFVITDEJ-INIZCTEOSA-N 1 1 344.423 0.854 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)CC[N@H+](C)CC)C2)CCC1 ZINC001046531330 767282539 /nfs/dbraw/zinc/28/25/39/767282539.db2.gz MMEDGVCQTHTZJJ-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+](Cc3cccc(C#N)c3)C2)n1 ZINC001046544135 767295072 /nfs/dbraw/zinc/29/50/72/767295072.db2.gz NRALYLSBSHMDQW-MRXNPFEDSA-N 1 1 325.376 0.476 20 30 ECEDMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC001046544135 767295074 /nfs/dbraw/zinc/29/50/74/767295074.db2.gz NRALYLSBSHMDQW-MRXNPFEDSA-N 1 1 325.376 0.476 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCOCC2=O)C1 ZINC001089820581 767316176 /nfs/dbraw/zinc/31/61/76/767316176.db2.gz NWIKITYZXHEYKK-QAETUUGQSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nnn(C)c3C1)CO2 ZINC001053908489 767329499 /nfs/dbraw/zinc/32/94/99/767329499.db2.gz UTARDSTTXNJKBF-UONOGXRCSA-N 1 1 345.447 0.456 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1COC3(CN(CC#N)C3)C1)CC2 ZINC001053908581 767331314 /nfs/dbraw/zinc/33/13/14/767331314.db2.gz WHRIZYMLJCZPDP-KGLIPLIRSA-N 1 1 329.404 0.237 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn(C)nc2COC)C1 ZINC001089822925 767338979 /nfs/dbraw/zinc/33/89/79/767338979.db2.gz BFAXBBDYOZKNSI-XSWJXKHESA-N 1 1 342.443 0.982 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001106147824 767353484 /nfs/dbraw/zinc/35/34/84/767353484.db2.gz YMIQRMPPUQUWFW-UONOGXRCSA-N 1 1 332.408 0.112 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1OC ZINC001212345079 767359935 /nfs/dbraw/zinc/35/99/35/767359935.db2.gz ZLXFUHANDHIAHZ-ZIAGYGMSSA-N 1 1 337.420 0.307 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1OC ZINC001212345079 767359943 /nfs/dbraw/zinc/35/99/43/767359943.db2.gz ZLXFUHANDHIAHZ-ZIAGYGMSSA-N 1 1 337.420 0.307 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C2CC2)ns1 ZINC001106154562 767405606 /nfs/dbraw/zinc/40/56/06/767405606.db2.gz LJYOZNQWVPQCAC-OLZOCXBDSA-N 1 1 349.460 0.402 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C2CC2)ns1 ZINC001106154562 767405611 /nfs/dbraw/zinc/40/56/11/767405611.db2.gz LJYOZNQWVPQCAC-OLZOCXBDSA-N 1 1 349.460 0.402 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn(C)ccc2=O)C1 ZINC001089835231 767433688 /nfs/dbraw/zinc/43/36/88/767433688.db2.gz IVGKENOKZXFNTL-JKQORVJESA-N 1 1 325.412 0.801 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001078291761 782626681 /nfs/dbraw/zinc/62/66/81/782626681.db2.gz DEBBXILDBCYOFM-HZPDHXFCSA-N 1 1 329.400 0.464 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001046679849 767467295 /nfs/dbraw/zinc/46/72/95/767467295.db2.gz QWNPVSPTQVSVIF-QFBILLFUSA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001046679849 767467300 /nfs/dbraw/zinc/46/73/00/767467300.db2.gz QWNPVSPTQVSVIF-QFBILLFUSA-N 1 1 341.411 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)CO2 ZINC001053965745 767477285 /nfs/dbraw/zinc/47/72/85/767477285.db2.gz AJBBNTIEYZBMJG-GFCCVEGCSA-N 1 1 348.403 0.274 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cncn3C)C2)nn1 ZINC001046688868 767484923 /nfs/dbraw/zinc/48/49/23/767484923.db2.gz AOILMRYGZXNCRC-KRWDZBQOSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cncn3C)C2)nn1 ZINC001046688868 767484927 /nfs/dbraw/zinc/48/49/27/767484927.db2.gz AOILMRYGZXNCRC-KRWDZBQOSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001046690518 767487250 /nfs/dbraw/zinc/48/72/50/767487250.db2.gz VZIJNXINOHZLBM-PBHICJAKSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001046690518 767487255 /nfs/dbraw/zinc/48/72/55/767487255.db2.gz VZIJNXINOHZLBM-PBHICJAKSA-N 1 1 346.435 0.327 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001046692772 767494987 /nfs/dbraw/zinc/49/49/87/767494987.db2.gz ZEZRHRJQKCIZGU-KBPBESRZSA-N 1 1 335.448 0.230 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C(=O)NC)n1)CO2 ZINC001053996728 767555593 /nfs/dbraw/zinc/55/55/93/767555593.db2.gz KEJORCHHSOYVQL-ZDUSSCGKSA-N 1 1 344.415 0.590 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(=O)n(C)n1)CO2 ZINC001054002249 767567205 /nfs/dbraw/zinc/56/72/05/767567205.db2.gz VJKXOWLKZVAGQB-ZDUSSCGKSA-N 1 1 332.404 0.320 20 30 ECEDMO Cn1nncc1C[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001017107163 767597205 /nfs/dbraw/zinc/59/72/05/767597205.db2.gz PYAHMRJVPJDZLK-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@H+]1CCO ZINC001054044128 767642654 /nfs/dbraw/zinc/64/26/54/767642654.db2.gz RVIORJVELGMFBN-MOPGFXCFSA-N 1 1 341.455 0.619 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1CCO ZINC001054044128 767642657 /nfs/dbraw/zinc/64/26/57/767642657.db2.gz RVIORJVELGMFBN-MOPGFXCFSA-N 1 1 341.455 0.619 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001054099223 767686511 /nfs/dbraw/zinc/68/65/11/767686511.db2.gz CSQAAXJIYLGEMQ-GUYCJALGSA-N 1 1 347.419 0.012 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001017179674 767688115 /nfs/dbraw/zinc/68/81/15/767688115.db2.gz MGFVKBMNSQNVSW-CYBMUJFWSA-N 1 1 335.452 0.991 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)c1 ZINC001017209263 767724865 /nfs/dbraw/zinc/72/48/65/767724865.db2.gz ZTDMRLLQPKJGKI-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)C#CC2CC2)C3)C1=O ZINC001054131015 767726152 /nfs/dbraw/zinc/72/61/52/767726152.db2.gz CNRMUHNBIXZKMS-QFBILLFUSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)CC(C)(C)C1=O)C2 ZINC001054132854 767728868 /nfs/dbraw/zinc/72/88/68/767728868.db2.gz PGAUUPDECAGQEZ-IBGZPJMESA-N 1 1 345.443 0.719 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001054138204 767733133 /nfs/dbraw/zinc/73/31/33/767733133.db2.gz MVHUKDOVRHTORS-MRXNPFEDSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nc3ncc(C)cn3n1)C2 ZINC001054150519 767746198 /nfs/dbraw/zinc/74/61/98/767746198.db2.gz KMQHYQKKOLBDMY-GOSISDBHSA-N 1 1 338.415 0.994 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc(C(N)=O)nc1)C2 ZINC001054153045 767749270 /nfs/dbraw/zinc/74/92/70/767749270.db2.gz KFPKYSQRDCTSCJ-LJQANCHMSA-N 1 1 340.427 0.671 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC000992896017 767762990 /nfs/dbraw/zinc/76/29/90/767762990.db2.gz MJALQRMMOWJHRS-QFBILLFUSA-N 1 1 340.427 0.912 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(C)c(=O)cn1)C2 ZINC001054167195 767765804 /nfs/dbraw/zinc/76/58/04/767765804.db2.gz ABDCVHBXGSEMLH-GOSISDBHSA-N 1 1 328.416 0.732 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001054197305 767796033 /nfs/dbraw/zinc/79/60/33/767796033.db2.gz VOHYHPFFGRNPRR-HDMKZQKVSA-N 1 1 333.432 0.357 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCS(=O)(=O)C1)C2 ZINC001054206169 767802904 /nfs/dbraw/zinc/80/29/04/767802904.db2.gz GKVLXFCSSLBOPH-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCS(=O)(=O)C1)C2 ZINC001054206169 767802911 /nfs/dbraw/zinc/80/29/11/767802911.db2.gz GKVLXFCSSLBOPH-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1nnnc1C(C)C)C2 ZINC001054210580 767806829 /nfs/dbraw/zinc/80/68/29/767806829.db2.gz SBCVNJIKAPTAFK-KRWDZBQOSA-N 1 1 330.436 0.744 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)NC(=O)C1(C)C)C2 ZINC001054224120 767828677 /nfs/dbraw/zinc/82/86/77/767828677.db2.gz VTKCFDSYEIMOTR-SFHVURJKSA-N 1 1 348.447 0.817 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106539025 768418830 /nfs/dbraw/zinc/41/88/30/768418830.db2.gz DELFVWNWNDAGAS-ZFWWWQNUSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106539025 768418831 /nfs/dbraw/zinc/41/88/31/768418831.db2.gz DELFVWNWNDAGAS-ZFWWWQNUSA-N 1 1 346.435 0.764 20 30 ECEDMO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001106539164 768419308 /nfs/dbraw/zinc/41/93/08/768419308.db2.gz HSKBATGNHJQAEZ-IHRRRGAJSA-N 1 1 330.436 0.807 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)Nc1ccnc(C#N)n1 ZINC001089335717 768432310 /nfs/dbraw/zinc/43/23/10/768432310.db2.gz ZCHPAQBYJDGZKO-RYUDHWBXSA-N 1 1 327.392 0.671 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)Nc1ccnc(C#N)n1 ZINC001089335718 768432534 /nfs/dbraw/zinc/43/25/34/768432534.db2.gz ZCHPAQBYJDGZKO-VXGBXAGGSA-N 1 1 327.392 0.671 20 30 ECEDMO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C[C@H]1C ZINC001106621419 768519860 /nfs/dbraw/zinc/51/98/60/768519860.db2.gz JZTSIUCUFMOZGV-UNEWFSDZSA-N 1 1 345.447 0.164 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1ccncc1C#N ZINC001106628218 768526973 /nfs/dbraw/zinc/52/69/73/768526973.db2.gz UHWYDPZLRDQZRZ-YOEHRIQHSA-N 1 1 325.416 0.779 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1ccncc1C#N ZINC001106628218 768526977 /nfs/dbraw/zinc/52/69/77/768526977.db2.gz UHWYDPZLRDQZRZ-YOEHRIQHSA-N 1 1 325.416 0.779 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CSCC#N)C[C@@H]3C2)C1 ZINC001055182774 768638374 /nfs/dbraw/zinc/63/83/74/768638374.db2.gz HPDVBFVSNGARMY-MCIONIFRSA-N 1 1 336.461 0.112 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268347 768724239 /nfs/dbraw/zinc/72/42/39/768724239.db2.gz HOXWAHQHJAHTJB-OWCLPIDISA-N 1 1 335.448 0.590 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268347 768724240 /nfs/dbraw/zinc/72/42/40/768724240.db2.gz HOXWAHQHJAHTJB-OWCLPIDISA-N 1 1 335.448 0.590 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268577 768725269 /nfs/dbraw/zinc/72/52/69/768725269.db2.gz LWWXOIOFWOJYSL-NCOADZHNSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268577 768725271 /nfs/dbraw/zinc/72/52/71/768725271.db2.gz LWWXOIOFWOJYSL-NCOADZHNSA-N 1 1 349.475 0.836 20 30 ECEDMO Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C3)n1 ZINC001055295066 768749314 /nfs/dbraw/zinc/74/93/14/768749314.db2.gz SZQYVRPBITUKIO-LVQVYYBASA-N 1 1 340.431 0.977 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)C#CC(C)C)C[C@H]2C1 ZINC001055328953 768786139 /nfs/dbraw/zinc/78/61/39/768786139.db2.gz GZPFNEFKJBSDHR-IYBDPMFKSA-N 1 1 328.416 0.768 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001055329350 768786761 /nfs/dbraw/zinc/78/67/61/768786761.db2.gz OPGDIEJLPGTQTQ-WCXIOVBPSA-N 1 1 347.459 0.282 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001055329350 768786764 /nfs/dbraw/zinc/78/67/64/768786764.db2.gz OPGDIEJLPGTQTQ-WCXIOVBPSA-N 1 1 347.459 0.282 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@@H]3C2)C1 ZINC001055334394 768790535 /nfs/dbraw/zinc/79/05/35/768790535.db2.gz PKAAQIRRUQPAON-OAGGEKHMSA-N 1 1 331.460 0.904 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357565 768812165 /nfs/dbraw/zinc/81/21/65/768812165.db2.gz SXNWXCNFAHVAKJ-OVYGPGRDSA-N 1 1 349.475 0.835 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001106748092 768843766 /nfs/dbraw/zinc/84/37/66/768843766.db2.gz JFZWZYRUWADLIN-RRFJBIMHSA-N 1 1 345.447 0.022 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001018226823 768918872 /nfs/dbraw/zinc/91/88/72/768918872.db2.gz SYHPDZAAXFMOPR-BBWFWOEESA-N 1 1 335.448 0.875 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](CCNC(=O)C(C)(C)F)CC1 ZINC001055491856 768932767 /nfs/dbraw/zinc/93/27/67/768932767.db2.gz ZRMYCHOJGVCBFO-QGZVFWFLSA-N 1 1 343.443 0.758 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](CCNC(=O)C(C)(F)F)CC1 ZINC001055493943 768936165 /nfs/dbraw/zinc/93/61/65/768936165.db2.gz YPNICDIKXYYTFQ-OAHLLOKOSA-N 1 1 347.406 0.666 20 30 ECEDMO Cc1cnc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)cn1 ZINC001055507072 768966546 /nfs/dbraw/zinc/96/65/46/768966546.db2.gz PQRLCHGFMJXELY-GFCCVEGCSA-N 1 1 344.419 0.255 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cn(C)c3ccccc23)[C@@H](O)C1 ZINC001083740169 768971553 /nfs/dbraw/zinc/97/15/53/768971553.db2.gz QKDPLPOIFAJAQR-AEFFLSMTSA-N 1 1 325.412 0.905 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cn(C)c3ccccc23)[C@@H](O)C1 ZINC001083740169 768971557 /nfs/dbraw/zinc/97/15/57/768971557.db2.gz QKDPLPOIFAJAQR-AEFFLSMTSA-N 1 1 325.412 0.905 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(c1cnc(C#N)cn1)C2 ZINC001055509964 768974315 /nfs/dbraw/zinc/97/43/15/768974315.db2.gz PPFVFNFDIFHQFD-JOQOYGCGSA-N 1 1 340.431 0.918 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2ccon2)CC1 ZINC001055531891 769028211 /nfs/dbraw/zinc/02/82/11/769028211.db2.gz SQSWJSDHFGMMDB-UHFFFAOYSA-N 1 1 332.404 0.644 20 30 ECEDMO CC[C@H](SC)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055562378 769120119 /nfs/dbraw/zinc/12/01/19/769120119.db2.gz YIYOWNNCXWPYCV-JSGCOSHPSA-N 1 1 340.493 0.984 20 30 ECEDMO COc1cc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)on1 ZINC001055564125 769124173 /nfs/dbraw/zinc/12/41/73/769124173.db2.gz VZMXTTQWVKQUAV-LLVKDONJSA-N 1 1 349.391 0.153 20 30 ECEDMO Cc1c[nH]c(C(=O)NCC[NH+]2CCC(NC(=O)C#CC(C)C)CC2)n1 ZINC001055580961 769180423 /nfs/dbraw/zinc/18/04/23/769180423.db2.gz XIDMEZPDXIPVLR-UHFFFAOYSA-N 1 1 345.447 0.688 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001018362256 769197876 /nfs/dbraw/zinc/19/78/76/769197876.db2.gz DSDXOFVMLUHCOD-AWEZNQCLSA-N 1 1 343.431 0.903 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)CCc2cnc[nH]2)CC1 ZINC001055592284 769200243 /nfs/dbraw/zinc/20/02/43/769200243.db2.gz IXMONMXVYYCIBL-CYBMUJFWSA-N 1 1 346.435 0.199 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H]1C ZINC000993527545 769228302 /nfs/dbraw/zinc/22/83/02/769228302.db2.gz JDPXUPUOEPOGMD-KBPBESRZSA-N 1 1 342.403 0.926 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001055602155 769234001 /nfs/dbraw/zinc/23/40/01/769234001.db2.gz RIJMQELSNKTSLS-HUUCEWRRSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055602155 769234005 /nfs/dbraw/zinc/23/40/05/769234005.db2.gz RIJMQELSNKTSLS-HUUCEWRRSA-N 1 1 349.479 0.185 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000993583929 769299241 /nfs/dbraw/zinc/29/92/41/769299241.db2.gz YSGRSKSONMGZIU-HUUCEWRRSA-N 1 1 335.448 0.779 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001055631792 769303940 /nfs/dbraw/zinc/30/39/40/769303940.db2.gz KQNXJSCYOOOCDU-HUUCEWRRSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001055631792 769303953 /nfs/dbraw/zinc/30/39/53/769303953.db2.gz KQNXJSCYOOOCDU-HUUCEWRRSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2n[nH]cc2F)CC1 ZINC001055631888 769305499 /nfs/dbraw/zinc/30/54/99/769305499.db2.gz MKGXHKCVSPBBSL-JTQLQIEISA-N 1 1 336.371 0.019 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2-n2cnnn2)[C@@H]1C ZINC000993566358 769326975 /nfs/dbraw/zinc/32/69/75/769326975.db2.gz KHCJVVWMALZSMH-RYUDHWBXSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2-n2cnnn2)[C@@H]1C ZINC000993566358 769326981 /nfs/dbraw/zinc/32/69/81/769326981.db2.gz KHCJVVWMALZSMH-RYUDHWBXSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)C[C@H]21 ZINC001042088318 782740716 /nfs/dbraw/zinc/74/07/16/782740716.db2.gz PJWYBINOCXWRFI-WMLDXEAASA-N 1 1 336.399 0.832 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H]1C ZINC000993603302 769348409 /nfs/dbraw/zinc/34/84/09/769348409.db2.gz MNJBSOXQIPYDJE-GXTWGEPZSA-N 1 1 326.404 0.969 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC000993589890 769380198 /nfs/dbraw/zinc/38/01/98/769380198.db2.gz LVINHYYNPRSQJO-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)[C@@H]2C)c1 ZINC000993774045 769598393 /nfs/dbraw/zinc/59/83/93/769598393.db2.gz SNQPUJIMQGQACV-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)c1 ZINC000993774045 769598400 /nfs/dbraw/zinc/59/84/00/769598400.db2.gz SNQPUJIMQGQACV-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000993828071 769687926 /nfs/dbraw/zinc/68/79/26/769687926.db2.gz ABNQPJIJVVRSFM-XNRPHZJLSA-N 1 1 343.431 0.805 20 30 ECEDMO CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078359672 782770595 /nfs/dbraw/zinc/77/05/95/782770595.db2.gz BSGXORKVGJHBFT-TZMCWYRMSA-N 1 1 334.424 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)cn1 ZINC000993878430 769775534 /nfs/dbraw/zinc/77/55/34/769775534.db2.gz KBPIOTDATVJSQI-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO CCCn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001018739169 769833686 /nfs/dbraw/zinc/83/36/86/769833686.db2.gz YELMBOHXVRIASB-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001055825336 769865508 /nfs/dbraw/zinc/86/55/08/769865508.db2.gz GFDVPVCKHKDKOA-QGZVFWFLSA-N 1 1 334.420 0.627 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001055826069 769868083 /nfs/dbraw/zinc/86/80/83/769868083.db2.gz WLJPYNIROURTKT-CRAIPNDOSA-N 1 1 337.464 0.907 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001055832359 769895939 /nfs/dbraw/zinc/89/59/39/769895939.db2.gz KYSVQMGUCVSARY-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H]1C ZINC000994003396 769992607 /nfs/dbraw/zinc/99/26/07/769992607.db2.gz GOIIDLGFQUJAFX-HIFRSBDPSA-N 1 1 341.415 0.937 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]21 ZINC001042116000 782797088 /nfs/dbraw/zinc/79/70/88/782797088.db2.gz FILOUHYOCYEOOZ-NVXWUHKLSA-N 1 1 340.427 0.669 20 30 ECEDMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCCO2)nn1 ZINC001078373928 782798930 /nfs/dbraw/zinc/79/89/30/782798930.db2.gz NDSJDQRXYFGUKA-AWEZNQCLSA-N 1 1 343.391 0.036 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@@H]21 ZINC001042118634 782801443 /nfs/dbraw/zinc/80/14/43/782801443.db2.gz XTZZSXUTIWENSN-HOCLYGCPSA-N 1 1 328.416 0.973 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001018865734 770134870 /nfs/dbraw/zinc/13/48/70/770134870.db2.gz RGXULPKSZZEWJB-IMJJTQAJSA-N 1 1 333.436 0.970 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001055912803 770191407 /nfs/dbraw/zinc/19/14/07/770191407.db2.gz SXXKZFOGBQMGPS-QFBILLFUSA-N 1 1 349.475 0.744 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001055923581 770233103 /nfs/dbraw/zinc/23/31/03/770233103.db2.gz IRKGGYZDELNHKG-OAHLLOKOSA-N 1 1 342.447 0.975 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H]1C ZINC000994173326 770255432 /nfs/dbraw/zinc/25/54/32/770255432.db2.gz FLZRZSFSTQNDFE-LSDHHAIUSA-N 1 1 345.447 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC000994192248 770280743 /nfs/dbraw/zinc/28/07/43/770280743.db2.gz DZFVAIUNNMCPSN-NXHRZFHOSA-N 1 1 341.455 0.708 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC000994192248 770280751 /nfs/dbraw/zinc/28/07/51/770280751.db2.gz DZFVAIUNNMCPSN-NXHRZFHOSA-N 1 1 341.455 0.708 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938489 770289855 /nfs/dbraw/zinc/28/98/55/770289855.db2.gz GPBZOVNWALTJKO-GOSISDBHSA-N 1 1 335.448 0.211 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C ZINC000994211648 770315235 /nfs/dbraw/zinc/31/52/35/770315235.db2.gz ODNXQFSOFILBBT-NWDGAFQWSA-N 1 1 328.376 0.024 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC001055954919 770356092 /nfs/dbraw/zinc/35/60/92/770356092.db2.gz NQPLFFORIIGGPK-UHFFFAOYSA-N 1 1 339.403 0.764 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC001018949725 770360601 /nfs/dbraw/zinc/36/06/01/770360601.db2.gz LMPSYCWUOJJIRH-LSDHHAIUSA-N 1 1 331.420 0.320 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055966733 770391889 /nfs/dbraw/zinc/39/18/89/770391889.db2.gz KMKDBPSXQAHUCK-MDZRGWNJSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2nc(C)no2)C1 ZINC001018985666 770484109 /nfs/dbraw/zinc/48/41/09/770484109.db2.gz XYMRXFCZYBHVAK-QEJZJMRPSA-N 1 1 331.420 0.727 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2nc(C)no2)C1 ZINC001018985666 770484113 /nfs/dbraw/zinc/48/41/13/770484113.db2.gz XYMRXFCZYBHVAK-QEJZJMRPSA-N 1 1 331.420 0.727 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3OCC(N)=O)C[C@@H]21 ZINC001042140833 782842676 /nfs/dbraw/zinc/84/26/76/782842676.db2.gz BEDWNFKCTOFWEL-ZBFHGGJFSA-N 1 1 341.411 0.720 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2O)CC1 ZINC001083750510 770583573 /nfs/dbraw/zinc/58/35/73/770583573.db2.gz ZXMCJTIVTIZHCS-SJORKVTESA-N 1 1 345.443 0.793 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)[C@H]1C ZINC000994296543 770589770 /nfs/dbraw/zinc/58/97/70/770589770.db2.gz TWOXNMKBKITEKT-YOEHRIQHSA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC)[C@H]1C ZINC000994296543 770589775 /nfs/dbraw/zinc/58/97/75/770589775.db2.gz TWOXNMKBKITEKT-YOEHRIQHSA-N 1 1 327.428 0.926 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@@H]21 ZINC001042152668 782859555 /nfs/dbraw/zinc/85/95/55/782859555.db2.gz OUXBTDDIXVXYFW-ZFWWWQNUSA-N 1 1 329.400 0.943 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1C ZINC000994419808 770758883 /nfs/dbraw/zinc/75/88/83/770758883.db2.gz YJRSSUCQUPHFBX-GJZGRUSLSA-N 1 1 343.493 0.262 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1C ZINC000994419808 770758887 /nfs/dbraw/zinc/75/88/87/770758887.db2.gz YJRSSUCQUPHFBX-GJZGRUSLSA-N 1 1 343.493 0.262 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1C ZINC000994419805 770759085 /nfs/dbraw/zinc/75/90/85/770759085.db2.gz YJRSSUCQUPHFBX-CABCVRRESA-N 1 1 343.493 0.262 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1C ZINC000994419805 770759089 /nfs/dbraw/zinc/75/90/89/770759089.db2.gz YJRSSUCQUPHFBX-CABCVRRESA-N 1 1 343.493 0.262 20 30 ECEDMO C=CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001056085738 770795671 /nfs/dbraw/zinc/79/56/71/770795671.db2.gz TVULNZTXTBLKHR-CRAIPNDOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001056085740 770796097 /nfs/dbraw/zinc/79/60/97/770796097.db2.gz TVULNZTXTBLKHR-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC001019143278 770915208 /nfs/dbraw/zinc/91/52/08/770915208.db2.gz KYDXGMNJGHKBAN-KRWDZBQOSA-N 1 1 339.439 0.558 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC001019143278 770915210 /nfs/dbraw/zinc/91/52/10/770915210.db2.gz KYDXGMNJGHKBAN-KRWDZBQOSA-N 1 1 339.439 0.558 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001019250033 771059372 /nfs/dbraw/zinc/05/93/72/771059372.db2.gz QSHMFRNCJXBTGA-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001019250033 771059379 /nfs/dbraw/zinc/05/93/79/771059379.db2.gz QSHMFRNCJXBTGA-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)CC(C)(C)C1 ZINC001089409743 771092808 /nfs/dbraw/zinc/09/28/08/771092808.db2.gz WMZXSFWTXZFRHF-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001056314230 771111099 /nfs/dbraw/zinc/11/10/99/771111099.db2.gz LHCCFFFQWRKASJ-XHSDSOJGSA-N 1 1 335.448 0.875 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001056355227 771163447 /nfs/dbraw/zinc/16/34/47/771163447.db2.gz GWZZMEYWVOXSRM-XUWVNRHRSA-N 1 1 340.431 0.692 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)CC(C)(C)C1 ZINC001089434198 771169536 /nfs/dbraw/zinc/16/95/36/771169536.db2.gz QTWKTQWPHIGDIW-AWEZNQCLSA-N 1 1 330.432 0.978 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)CC[N@H+]1C ZINC001019364396 771207372 /nfs/dbraw/zinc/20/73/72/771207372.db2.gz DGDFUMJRYJNBBJ-SOUVJXGZSA-N 1 1 332.448 0.937 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)CC(C)(C)C1 ZINC001089456479 771225993 /nfs/dbraw/zinc/22/59/93/771225993.db2.gz ITIYTWNSDZTUJK-HNNXBMFYSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)CC(C)(C)C1 ZINC001089458386 771236054 /nfs/dbraw/zinc/23/60/54/771236054.db2.gz KUPQJBWYCREGHU-OAHLLOKOSA-N 1 1 336.480 0.601 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001056409024 771239433 /nfs/dbraw/zinc/23/94/33/771239433.db2.gz PHFQZYTYEACHGL-IXDOHACOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001056443885 771275198 /nfs/dbraw/zinc/27/51/98/771275198.db2.gz XDOQIRVKCLRFQJ-ZACQAIPSSA-N 1 1 349.475 0.957 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC001019443051 771293651 /nfs/dbraw/zinc/29/36/51/771293651.db2.gz GFHCAGWUKIERIG-GOEBONIOSA-N 1 1 329.444 0.658 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001019443398 771295076 /nfs/dbraw/zinc/29/50/76/771295076.db2.gz OHJONXPDWXPLPB-CQSZACIVSA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCOCCNc1ccncc1C#N ZINC001127472607 771300891 /nfs/dbraw/zinc/30/08/91/771300891.db2.gz QPEYGPHTZLVDGD-HOCLYGCPSA-N 1 1 345.447 0.460 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(F)ncn3)C[C@H]21 ZINC001056467514 771305254 /nfs/dbraw/zinc/30/52/54/771305254.db2.gz SYZFNINAXSJCGM-RSUWNVLCSA-N 1 1 329.379 0.264 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(F)ncn3)C[C@H]21 ZINC001056467514 771305258 /nfs/dbraw/zinc/30/52/58/771305258.db2.gz SYZFNINAXSJCGM-RSUWNVLCSA-N 1 1 329.379 0.264 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nncn3C)C2)nn1 ZINC001019482419 771346296 /nfs/dbraw/zinc/34/62/96/771346296.db2.gz TYZCDYJGEVPZCD-NEPJUHHUSA-N 1 1 330.396 0.158 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)nn1 ZINC001019494013 771358815 /nfs/dbraw/zinc/35/88/15/771358815.db2.gz WOEDKAVFJJVVAR-LBPRGKRZSA-N 1 1 330.396 0.285 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nccc(C)n3)C2)nn1 ZINC001019494022 771359212 /nfs/dbraw/zinc/35/92/12/771359212.db2.gz WYAJVIZKYHCRBU-AWEZNQCLSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ncoc3CC)C2)C1=O ZINC001031591584 771360535 /nfs/dbraw/zinc/36/05/35/771360535.db2.gz JRCVWTIOPRFXPC-ZDUSSCGKSA-N 1 1 332.404 0.686 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)CC(C)(C)C2)nn1 ZINC001089514694 771381592 /nfs/dbraw/zinc/38/15/92/771381592.db2.gz OTJGCHRPOGIOFV-QWHCGFSZSA-N 1 1 348.451 0.558 20 30 ECEDMO Cc1nsc(N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001056599648 771419951 /nfs/dbraw/zinc/41/99/51/771419951.db2.gz MFADMBKILNXQBH-YPMHNXCESA-N 1 1 335.433 0.667 20 30 ECEDMO Cc1nsc(N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001056599648 771419955 /nfs/dbraw/zinc/41/99/55/771419955.db2.gz MFADMBKILNXQBH-YPMHNXCESA-N 1 1 335.433 0.667 20 30 ECEDMO CN(CCOCCNc1cnc(C#N)cn1)C(=O)C[N@@H+](C)C1CCC1 ZINC001127515090 771426825 /nfs/dbraw/zinc/42/68/25/771426825.db2.gz MPDZRRZBEJHZBI-UHFFFAOYSA-N 1 1 346.435 0.719 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC(C)(C)C1 ZINC001089542229 771430641 /nfs/dbraw/zinc/43/06/41/771430641.db2.gz RWHCQEKGELORQX-GFCCVEGCSA-N 1 1 344.419 0.824 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001060735372 771456811 /nfs/dbraw/zinc/45/68/11/771456811.db2.gz UERYUKNZNNGELB-BRWVUGGUSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(C)ncn3)C2)C1=O ZINC001031620017 771472465 /nfs/dbraw/zinc/47/24/65/771472465.db2.gz VBVCFOUMNRUGRP-HNNXBMFYSA-N 1 1 329.404 0.234 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561284 771494744 /nfs/dbraw/zinc/49/47/44/771494744.db2.gz OFWLBWFEYNYPNK-ZIAGYGMSSA-N 1 1 343.493 0.861 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001056679447 771505968 /nfs/dbraw/zinc/50/59/68/771505968.db2.gz RAKYHZVBBLXHHL-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001056685868 771514191 /nfs/dbraw/zinc/51/41/91/771514191.db2.gz KCCORYFYLBEFQA-JKSUJKDBSA-N 1 1 346.431 0.844 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC(C)(C)C1 ZINC001089565690 771521168 /nfs/dbraw/zinc/52/11/68/771521168.db2.gz XCNZQNSZROCUPA-ZDUSSCGKSA-N 1 1 348.451 0.560 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001056693556 771523428 /nfs/dbraw/zinc/52/34/28/771523428.db2.gz ZGZJYRLMPGYYJT-MKSNKDDYSA-N 1 1 349.475 0.857 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001056760919 771602696 /nfs/dbraw/zinc/60/26/96/771602696.db2.gz RVGFQTNUJDUJCK-WBVHZDCISA-N 1 1 343.431 0.497 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001056760919 771602699 /nfs/dbraw/zinc/60/26/99/771602699.db2.gz RVGFQTNUJDUJCK-WBVHZDCISA-N 1 1 343.431 0.497 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056792937 771648861 /nfs/dbraw/zinc/64/88/61/771648861.db2.gz MWBJFMDEJQBMFU-CYBMUJFWSA-N 1 1 339.403 0.803 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)c(F)c1 ZINC001042211244 782944505 /nfs/dbraw/zinc/94/45/05/782944505.db2.gz PKQINXYEQVHBND-WFASDCNBSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)c(F)c1 ZINC001042211244 782944508 /nfs/dbraw/zinc/94/45/08/782944508.db2.gz PKQINXYEQVHBND-WFASDCNBSA-N 1 1 330.363 0.605 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)cc1 ZINC001042211691 782945224 /nfs/dbraw/zinc/94/52/24/782945224.db2.gz UEINPZPTLYWRDC-GDBMZVCRSA-N 1 1 342.399 0.497 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)nc1 ZINC001019676937 771704733 /nfs/dbraw/zinc/70/47/33/771704733.db2.gz LEWZRKRCPIIKFK-ZDUSSCGKSA-N 1 1 337.387 0.389 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3ncccc3C#N)C2)C1 ZINC001056928635 771819828 /nfs/dbraw/zinc/81/98/28/771819828.db2.gz MUAIBKMYJDYTDN-HOTGVXAUSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3ncccc3C#N)C2)C1 ZINC001056928635 771819831 /nfs/dbraw/zinc/81/98/31/771819831.db2.gz MUAIBKMYJDYTDN-HOTGVXAUSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]C[C@H]3CCCOC3)C2)CC1 ZINC001019814334 771829134 /nfs/dbraw/zinc/82/91/34/771829134.db2.gz ZLNJPISNLZUHRX-AEFFLSMTSA-N 1 1 333.476 0.949 20 30 ECEDMO CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056939832 771835687 /nfs/dbraw/zinc/83/56/87/771835687.db2.gz FALYCQRMUVPELE-CQSZACIVSA-N 1 1 344.419 0.108 20 30 ECEDMO CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056942268 771840768 /nfs/dbraw/zinc/84/07/68/771840768.db2.gz ULDPOCOBGWVKRD-DZGCQCFKSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3ccc(C#N)nn3)C2)C1 ZINC001057029554 771966483 /nfs/dbraw/zinc/96/64/83/771966483.db2.gz PTYYBGXOQCZENA-ZFWWWQNUSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3ccncc3C#N)C2)O1 ZINC001057062393 772019196 /nfs/dbraw/zinc/01/91/96/772019196.db2.gz PEXOEZWPLXXGKB-UKPHBRMFSA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3ccncc3C#N)C2)O1 ZINC001057062393 772019199 /nfs/dbraw/zinc/01/91/99/772019199.db2.gz PEXOEZWPLXXGKB-UKPHBRMFSA-N 1 1 343.431 0.709 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001057064443 772023961 /nfs/dbraw/zinc/02/39/61/772023961.db2.gz OYYTWNSJGMAESW-YNEHKIRRSA-N 1 1 337.387 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccnc2)[C@H]1C ZINC001020009305 772071696 /nfs/dbraw/zinc/07/16/96/772071696.db2.gz LHCPANYNOTYHJN-XIRDDKMYSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccnc2)[C@H]1C ZINC001020009305 772071701 /nfs/dbraw/zinc/07/17/01/772071701.db2.gz LHCPANYNOTYHJN-XIRDDKMYSA-N 1 1 340.427 0.898 20 30 ECEDMO Cc1cc(C#N)nc(N2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001057104581 772090120 /nfs/dbraw/zinc/09/01/20/772090120.db2.gz DFTVWTZTAHBOQZ-OAHLLOKOSA-N 1 1 328.420 0.790 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001057168557 772209418 /nfs/dbraw/zinc/20/94/18/772209418.db2.gz KUACGLLESWMTPG-HNNXBMFYSA-N 1 1 348.447 0.657 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001020201634 772277100 /nfs/dbraw/zinc/27/71/00/772277100.db2.gz XNHBKGJULBGGFZ-HUBLWGQQSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2cc(C)ncn2)CC1 ZINC001057252871 772347061 /nfs/dbraw/zinc/34/70/61/772347061.db2.gz UZRVMSGEEJXHMP-INIZCTEOSA-N 1 1 327.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2cc(C)ncn2)CC1 ZINC001057252871 772347064 /nfs/dbraw/zinc/34/70/64/772347064.db2.gz UZRVMSGEEJXHMP-INIZCTEOSA-N 1 1 327.432 0.921 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 ZINC001057426596 772601159 /nfs/dbraw/zinc/60/11/59/772601159.db2.gz ACAPBJHXMBHNFJ-IUODEOHRSA-N 1 1 328.420 0.949 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057442813 772619064 /nfs/dbraw/zinc/61/90/64/772619064.db2.gz QUXLXVAPBVUIKE-SJORKVTESA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001057445089 772621768 /nfs/dbraw/zinc/62/17/68/772621768.db2.gz GWWKEXBKVFVPRY-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(CNc3cnc(C#N)cn3)CC2)C1 ZINC001057483593 772672084 /nfs/dbraw/zinc/67/20/84/772672084.db2.gz DHSLHLMGCOGFQL-HNNXBMFYSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(CNc3cnc(C#N)cn3)CC2)C1 ZINC001057483593 772672086 /nfs/dbraw/zinc/67/20/86/772672086.db2.gz DHSLHLMGCOGFQL-HNNXBMFYSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(CNc3ccncc3C#N)CC2)C1 ZINC001057483996 772672376 /nfs/dbraw/zinc/67/23/76/772672376.db2.gz VFJUXTSJDHGIPD-KRWDZBQOSA-N 1 1 343.431 0.356 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(CNc3ccncc3C#N)CC2)C1 ZINC001057483996 772672380 /nfs/dbraw/zinc/67/23/80/772672380.db2.gz VFJUXTSJDHGIPD-KRWDZBQOSA-N 1 1 343.431 0.356 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057599356 772796481 /nfs/dbraw/zinc/79/64/81/772796481.db2.gz YYGRUWPKSILFQK-SJORKVTESA-N 1 1 347.459 0.211 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001057600596 772797798 /nfs/dbraw/zinc/79/77/98/772797798.db2.gz CWRVKDFIADWFJU-JKSUJKDBSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001057600596 772797800 /nfs/dbraw/zinc/79/78/00/772797800.db2.gz CWRVKDFIADWFJU-JKSUJKDBSA-N 1 1 343.431 0.995 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057601322 772799040 /nfs/dbraw/zinc/79/90/40/772799040.db2.gz NHPKXASJLXYWOZ-KGLIPLIRSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057601322 772799041 /nfs/dbraw/zinc/79/90/41/772799041.db2.gz NHPKXASJLXYWOZ-KGLIPLIRSA-N 1 1 330.392 0.082 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057635738 772842278 /nfs/dbraw/zinc/84/22/78/772842278.db2.gz IIERMWKLRWQEBQ-CABCVRRESA-N 1 1 325.453 0.478 20 30 ECEDMO C#CCCCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057636136 772843331 /nfs/dbraw/zinc/84/33/31/772843331.db2.gz NWBDDXKSDXOOSN-MRXNPFEDSA-N 1 1 337.464 0.459 20 30 ECEDMO C=CCCC1(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001057636739 772844319 /nfs/dbraw/zinc/84/43/19/772844319.db2.gz XWIHCGZAPXFBPS-HNNXBMFYSA-N 1 1 337.464 0.622 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](Nc2cncc(C#N)n2)C1 ZINC001057719790 772943283 /nfs/dbraw/zinc/94/32/83/772943283.db2.gz VPPVEMBGDLAFLW-CYBMUJFWSA-N 1 1 325.376 0.956 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001057719881 772943329 /nfs/dbraw/zinc/94/33/29/772943329.db2.gz YAQYSQHGLABNEG-CQSZACIVSA-N 1 1 325.376 0.956 20 30 ECEDMO C#CCCCCCC(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057864368 773092132 /nfs/dbraw/zinc/09/21/32/773092132.db2.gz OWGIYWJPOCAYIT-UHFFFAOYSA-N 1 1 339.480 0.847 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057864458 773093308 /nfs/dbraw/zinc/09/33/08/773093308.db2.gz TWYJDTADEBUGJU-CABCVRRESA-N 1 1 327.469 0.722 20 30 ECEDMO N#Cc1nccc(N2CCC(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)n1 ZINC001057888216 773136552 /nfs/dbraw/zinc/13/65/52/773136552.db2.gz FOJIUOGSVYXEGB-SFHVURJKSA-N 1 1 340.431 0.919 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057945902 773245930 /nfs/dbraw/zinc/24/59/30/773245930.db2.gz LUFFNYLVMZGMQQ-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)CC(=C)C ZINC001057962376 773295300 /nfs/dbraw/zinc/29/53/00/773295300.db2.gz TVZYPZVQQUVBMD-SJORKVTESA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)CC(=C)C ZINC001057962376 773295306 /nfs/dbraw/zinc/29/53/06/773295306.db2.gz TVZYPZVQQUVBMD-SJORKVTESA-N 1 1 349.475 0.623 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001057966701 773302578 /nfs/dbraw/zinc/30/25/78/773302578.db2.gz PTNBGEUYQPBQDE-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057972512 773314815 /nfs/dbraw/zinc/31/48/15/773314815.db2.gz IFIREDUIXFKRME-CQSZACIVSA-N 1 1 328.420 0.918 20 30 ECEDMO Cc1ccc(C#N)c(N2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058135044 773605159 /nfs/dbraw/zinc/60/51/59/773605159.db2.gz VDNFTGIHWKCLGR-JKSUJKDBSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1ccc(C#N)c(N2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058135044 773605166 /nfs/dbraw/zinc/60/51/66/773605166.db2.gz VDNFTGIHWKCLGR-JKSUJKDBSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1nsc(N2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001058134963 773605671 /nfs/dbraw/zinc/60/56/71/773605671.db2.gz SVPYSZJSCCWIFJ-GXTWGEPZSA-N 1 1 349.460 0.739 20 30 ECEDMO Cc1nsc(N2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001058134963 773605674 /nfs/dbraw/zinc/60/56/74/773605674.db2.gz SVPYSZJSCCWIFJ-GXTWGEPZSA-N 1 1 349.460 0.739 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058177058 773707665 /nfs/dbraw/zinc/70/76/65/773707665.db2.gz OMXBTZKXAVFIIA-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058211464 773782184 /nfs/dbraw/zinc/78/21/84/773782184.db2.gz DVEOXXWNUQJULG-CQSZACIVSA-N 1 1 325.376 0.638 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058211463 773782196 /nfs/dbraw/zinc/78/21/96/773782196.db2.gz DVEOXXWNUQJULG-AWEZNQCLSA-N 1 1 325.376 0.638 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058218719 773792472 /nfs/dbraw/zinc/79/24/72/773792472.db2.gz AXJFRHLYAADHCG-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCCO[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058255306 773853227 /nfs/dbraw/zinc/85/32/27/773853227.db2.gz KOWRMILESBNMRO-OAHLLOKOSA-N 1 1 343.468 0.247 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC001058265579 773879727 /nfs/dbraw/zinc/87/97/27/773879727.db2.gz MDNPTBUQLLONAY-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040637430 783151128 /nfs/dbraw/zinc/15/11/28/783151128.db2.gz YFIUVKHKQUZYGI-KSSFIOAISA-N 1 1 348.447 0.873 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001058435691 774176086 /nfs/dbraw/zinc/17/60/86/774176086.db2.gz PCAALFKUAJBLEQ-GJZGRUSLSA-N 1 1 327.469 0.724 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058468164 774242938 /nfs/dbraw/zinc/24/29/38/774242938.db2.gz BXJJHEUHPSJDMI-HOTGVXAUSA-N 1 1 339.480 0.868 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)CC[N@H+]1C ZINC001058525489 774362475 /nfs/dbraw/zinc/36/24/75/774362475.db2.gz RFXMLMIXKJKVQA-MELADBBJSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(OCC)ncn2)C1 ZINC001058589701 774491215 /nfs/dbraw/zinc/49/12/15/774491215.db2.gz KKXIZFJJSKTNLA-CABCVRRESA-N 1 1 343.431 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(OCC)ncn2)C1 ZINC001058589701 774491218 /nfs/dbraw/zinc/49/12/18/774491218.db2.gz KKXIZFJJSKTNLA-CABCVRRESA-N 1 1 343.431 0.668 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039858175 783199047 /nfs/dbraw/zinc/19/90/47/783199047.db2.gz LLYAQVWVDFYIJM-HBUWYVDXSA-N 1 1 337.464 0.618 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001045059395 774911791 /nfs/dbraw/zinc/91/17/91/774911791.db2.gz PQNHXGFRZKGGIG-ZDUSSCGKSA-N 1 1 334.420 0.483 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nccc(C)n1 ZINC001045074031 774936702 /nfs/dbraw/zinc/93/67/02/774936702.db2.gz VUIKLEVOGIDGEQ-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nccc(C)n1 ZINC001045074031 774936706 /nfs/dbraw/zinc/93/67/06/774936706.db2.gz VUIKLEVOGIDGEQ-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001045147534 775053992 /nfs/dbraw/zinc/05/39/92/775053992.db2.gz FRZSQECWRRYHFN-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)C2=NC(=O)N(C)C2)C1=O ZINC001045184389 775106269 /nfs/dbraw/zinc/10/62/69/775106269.db2.gz PAWZRFMBOMODCK-QWHCGFSZSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1=O ZINC001043874500 775174610 /nfs/dbraw/zinc/17/46/10/775174610.db2.gz HQUWTPFVRCUBOF-ZBFHGGJFSA-N 1 1 334.464 0.258 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001044037653 775561674 /nfs/dbraw/zinc/56/16/74/775561674.db2.gz MNYKAYTZBGEUNJ-ULQDDVLXSA-N 1 1 348.447 0.368 20 30 ECEDMO Cc1nc(N2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)ccc1C#N ZINC001044062452 775620051 /nfs/dbraw/zinc/62/00/51/775620051.db2.gz DGAVAOSMLHPFDC-IMJJTQAJSA-N 1 1 343.431 0.269 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001045454926 775631272 /nfs/dbraw/zinc/63/12/72/775631272.db2.gz HEKNCTIPGIXWGI-JKSUJKDBSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070031619 790391515 /nfs/dbraw/zinc/39/15/15/790391515.db2.gz IVUBRVFJVHJVNX-CABCVRRESA-N 1 1 329.408 0.966 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070031619 790391519 /nfs/dbraw/zinc/39/15/19/790391519.db2.gz IVUBRVFJVHJVNX-CABCVRRESA-N 1 1 329.408 0.966 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001044192121 775889711 /nfs/dbraw/zinc/88/97/11/775889711.db2.gz SRDKGLCKNGFCAB-OAGGEKHMSA-N 1 1 343.431 0.492 20 30 ECEDMO C=CCOCC(=O)NC1(CNC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC001070038149 790413932 /nfs/dbraw/zinc/41/39/32/790413932.db2.gz QFKRHLISAKOPAS-UHFFFAOYSA-N 1 1 341.452 0.311 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)c[nH]1 ZINC001045759438 776152435 /nfs/dbraw/zinc/15/24/35/776152435.db2.gz PZKXYFUUMSHNQL-CVEARBPZSA-N 1 1 339.403 0.857 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070040746 790422216 /nfs/dbraw/zinc/42/22/16/790422216.db2.gz DIRCOEWEJQCHCE-CABCVRRESA-N 1 1 341.419 0.273 20 30 ECEDMO Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)c1C#N ZINC001044386714 776261070 /nfs/dbraw/zinc/26/10/70/776261070.db2.gz YUYMWRRMRQFLBX-RDBSUJKOSA-N 1 1 349.460 0.473 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)C1 ZINC001044506061 776371245 /nfs/dbraw/zinc/37/12/45/776371245.db2.gz YWBSTLXRUZDPNB-CABCVRRESA-N 1 1 343.431 0.351 20 30 ECEDMO C#CCCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079639123 776584249 /nfs/dbraw/zinc/58/42/49/776584249.db2.gz UEZBFUWOMOAMDD-MRXNPFEDSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079639123 776584257 /nfs/dbraw/zinc/58/42/57/776584257.db2.gz UEZBFUWOMOAMDD-MRXNPFEDSA-N 1 1 335.448 0.570 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)CC[N@H+]1C ZINC001044667012 776609087 /nfs/dbraw/zinc/60/90/87/776609087.db2.gz WRMINJYNESKYQK-JJXSEGSLSA-N 1 1 343.431 0.349 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001079741498 776784782 /nfs/dbraw/zinc/78/47/82/776784782.db2.gz JXIBPAPNANPYOS-NVXWUHKLSA-N 1 1 345.443 0.322 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001079741497 776784983 /nfs/dbraw/zinc/78/49/83/776784983.db2.gz JXIBPAPNANPYOS-DOTOQJQBSA-N 1 1 345.443 0.322 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070064381 790488026 /nfs/dbraw/zinc/48/80/26/790488026.db2.gz OJVSHCTVFAAJDB-CVEARBPZSA-N 1 1 341.419 0.916 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070064381 790488035 /nfs/dbraw/zinc/48/80/35/790488035.db2.gz OJVSHCTVFAAJDB-CVEARBPZSA-N 1 1 341.419 0.916 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2nc(C)oc2C)[C@@H](n2ccnn2)C1 ZINC001070065670 790491170 /nfs/dbraw/zinc/49/11/70/790491170.db2.gz CSPAWRWZJRDHLY-KGLIPLIRSA-N 1 1 328.376 0.562 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nc(C)oc2C)[C@@H](n2ccnn2)C1 ZINC001070065670 790491178 /nfs/dbraw/zinc/49/11/78/790491178.db2.gz CSPAWRWZJRDHLY-KGLIPLIRSA-N 1 1 328.376 0.562 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079878145 777011425 /nfs/dbraw/zinc/01/14/25/777011425.db2.gz ILAGOYPSONSDFV-ZACQAIPSSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001079878145 777011430 /nfs/dbraw/zinc/01/14/30/777011430.db2.gz ILAGOYPSONSDFV-ZACQAIPSSA-N 1 1 346.475 0.143 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001079966460 777166884 /nfs/dbraw/zinc/16/68/84/777166884.db2.gz WAXQLJVFMAOTLB-GOSISDBHSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001080056613 777314057 /nfs/dbraw/zinc/31/40/57/777314057.db2.gz ZFSOWHXUSLBFDM-BXUZGUMPSA-N 1 1 328.372 0.486 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001080107385 777401141 /nfs/dbraw/zinc/40/11/41/777401141.db2.gz CFJSLMONUPEAOL-CQSZACIVSA-N 1 1 332.404 0.289 20 30 ECEDMO C#CCCCCC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070081577 790538636 /nfs/dbraw/zinc/53/86/36/790538636.db2.gz CZLDGKRSMHTYIA-MRXNPFEDSA-N 1 1 349.475 0.913 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001080194068 777535052 /nfs/dbraw/zinc/53/50/52/777535052.db2.gz PMJKQWTZTPYURX-AWEZNQCLSA-N 1 1 325.453 0.979 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001080197896 777540051 /nfs/dbraw/zinc/54/00/51/777540051.db2.gz QQXCWYOBBKQLHK-MCIONIFRSA-N 1 1 329.391 0.412 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001070086601 790557582 /nfs/dbraw/zinc/55/75/82/790557582.db2.gz CADBOKUVGURQAH-KFWWJZLASA-N 1 1 346.435 0.207 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001070086601 790557589 /nfs/dbraw/zinc/55/75/89/790557589.db2.gz CADBOKUVGURQAH-KFWWJZLASA-N 1 1 346.435 0.207 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2C)c1 ZINC001080410738 777810505 /nfs/dbraw/zinc/81/05/05/777810505.db2.gz QMYXJNZJRLRLHP-DVOMOZLQSA-N 1 1 328.416 0.590 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2C)c1 ZINC001080410738 777810514 /nfs/dbraw/zinc/81/05/14/777810514.db2.gz QMYXJNZJRLRLHP-DVOMOZLQSA-N 1 1 328.416 0.590 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001070091135 790571093 /nfs/dbraw/zinc/57/10/93/790571093.db2.gz WZXSKCXXZFZBPC-OAHLLOKOSA-N 1 1 335.448 0.666 20 30 ECEDMO Cc1cc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c(C#N)cn1 ZINC001043205041 777953764 /nfs/dbraw/zinc/95/37/64/777953764.db2.gz YGJZKSHCMOPCIW-SUYBPPKGSA-N 1 1 327.432 0.894 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043207051 777958985 /nfs/dbraw/zinc/95/89/85/777958985.db2.gz LBIWUQDJAHWKAW-KBPBESRZSA-N 1 1 337.464 0.476 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)O1 ZINC001068569209 790595081 /nfs/dbraw/zinc/59/50/81/790595081.db2.gz QVLIGJTXQNKKHS-INIZCTEOSA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C#CC1CC1)O2 ZINC001068571685 790602130 /nfs/dbraw/zinc/60/21/30/790602130.db2.gz SOGZQBNCQVLYMH-INIZCTEOSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001043433857 778326808 /nfs/dbraw/zinc/32/68/08/778326808.db2.gz XZDXAWNJMZVQTC-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC1(NC(=O)C#CC(C)C)CCOCC1 ZINC001070108900 790631621 /nfs/dbraw/zinc/63/16/21/790631621.db2.gz VQZPXOPLBPXJCG-UHFFFAOYSA-N 1 1 346.431 0.633 20 30 ECEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)COC)C[C@@H]1n1ccnn1 ZINC001070112492 790645993 /nfs/dbraw/zinc/64/59/93/790645993.db2.gz CGPSGCRJTCOGCZ-MNOVXSKESA-N 1 1 344.213 0.175 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001068591284 790654635 /nfs/dbraw/zinc/65/46/35/790654635.db2.gz KVSSMONGZAWMIY-YDHLFZDLSA-N 1 1 328.420 0.997 20 30 ECEDMO C=CCCC(=O)NCC1(NC(=O)Cn2cc[nH+]c2C)CCOCC1 ZINC001070122995 790686133 /nfs/dbraw/zinc/68/61/33/790686133.db2.gz CCKXCBFYZXRGRG-UHFFFAOYSA-N 1 1 334.420 0.939 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)C[C@H]21 ZINC001042292031 780004179 /nfs/dbraw/zinc/00/41/79/780004179.db2.gz LJCLUQSCLWTOHP-GOEBONIOSA-N 1 1 336.399 0.832 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 ZINC001042301241 780021886 /nfs/dbraw/zinc/02/18/86/780021886.db2.gz FDMPRZNMJWGEKE-GJZGRUSLSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)C[C@@H]21 ZINC001042308681 780043561 /nfs/dbraw/zinc/04/35/61/780043561.db2.gz YBVABHWDQCPPBT-PBHICJAKSA-N 1 1 343.431 0.799 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@@H]3C2)cn1 ZINC001042317903 780063752 /nfs/dbraw/zinc/06/37/52/780063752.db2.gz CQZZKXHECGEDAT-RHSMWYFYSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC)[C@@H]3C2)cn1 ZINC001042320677 780070148 /nfs/dbraw/zinc/07/01/48/780070148.db2.gz SUNOUFFSURAEQW-XJKSGUPXSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC)[C@@H]3C2)cn1 ZINC001042320677 780070161 /nfs/dbraw/zinc/07/01/61/780070161.db2.gz SUNOUFFSURAEQW-XJKSGUPXSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]21 ZINC001042380711 780176466 /nfs/dbraw/zinc/17/64/66/780176466.db2.gz WKOCTMYNYNUHJZ-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158885 790783475 /nfs/dbraw/zinc/78/34/75/790783475.db2.gz WHXLBAXNUKUXSG-MCIONIFRSA-N 1 1 338.843 0.466 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccnnc1 ZINC001078719595 780395889 /nfs/dbraw/zinc/39/58/89/780395889.db2.gz VDRBIWMLIBYAPK-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccnnc1 ZINC001078719595 780395899 /nfs/dbraw/zinc/39/58/99/780395899.db2.gz VDRBIWMLIBYAPK-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2ccc(C#N)s2)C1 ZINC001042573181 780465379 /nfs/dbraw/zinc/46/53/79/780465379.db2.gz FTFGQCRVETUZAW-HNNXBMFYSA-N 1 1 334.445 0.593 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2ccc(C#N)s2)C1 ZINC001042573181 780465381 /nfs/dbraw/zinc/46/53/81/780465381.db2.gz FTFGQCRVETUZAW-HNNXBMFYSA-N 1 1 334.445 0.593 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001078885043 780582559 /nfs/dbraw/zinc/58/25/59/780582559.db2.gz SYDJJFKKKQFVMA-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001042664207 780608370 /nfs/dbraw/zinc/60/83/70/780608370.db2.gz QORLXXTXMMHXCQ-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001042836356 780916673 /nfs/dbraw/zinc/91/66/73/780916673.db2.gz RYHGAZAKJOASKG-XGWLTEMNSA-N 1 1 346.406 0.969 20 30 ECEDMO CN(c1ccncc1C#N)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001068664142 790836677 /nfs/dbraw/zinc/83/66/77/790836677.db2.gz VLGORZIZNCWLQZ-KRWDZBQOSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(c1ccncc1C#N)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001068664142 790836690 /nfs/dbraw/zinc/83/66/90/790836690.db2.gz VLGORZIZNCWLQZ-KRWDZBQOSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](C)OCC)C1 ZINC001079367595 781034822 /nfs/dbraw/zinc/03/48/22/781034822.db2.gz HRJGTNMCZJHSNG-ZBFHGGJFSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](C)OCC)C1 ZINC001079367595 781034831 /nfs/dbraw/zinc/03/48/31/781034831.db2.gz HRJGTNMCZJHSNG-ZBFHGGJFSA-N 1 1 335.448 0.568 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001042930790 781056380 /nfs/dbraw/zinc/05/63/80/781056380.db2.gz YEMDKPLLFGXAGI-GDBMZVCRSA-N 1 1 340.387 0.478 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cn(CC)nn2)C1 ZINC001042961989 781105026 /nfs/dbraw/zinc/10/50/26/781105026.db2.gz BLLDBKOBIZJQBZ-INIZCTEOSA-N 1 1 330.436 0.038 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cn(CC)nn2)C1 ZINC001042961989 781105029 /nfs/dbraw/zinc/10/50/29/781105029.db2.gz BLLDBKOBIZJQBZ-INIZCTEOSA-N 1 1 330.436 0.038 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001079510712 781206323 /nfs/dbraw/zinc/20/63/23/781206323.db2.gz IGRFXLLKPYKVSH-YUELXQCFSA-N 1 1 332.404 0.441 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001079510712 781206328 /nfs/dbraw/zinc/20/63/28/781206328.db2.gz IGRFXLLKPYKVSH-YUELXQCFSA-N 1 1 332.404 0.441 20 30 ECEDMO C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079539704 781240695 /nfs/dbraw/zinc/24/06/95/781240695.db2.gz KQXHLQWSPJOLEX-MLGOLLRUSA-N 1 1 326.404 0.913 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043062331 781260250 /nfs/dbraw/zinc/26/02/50/781260250.db2.gz ZSSLKSKGOQWLIS-KGLIPLIRSA-N 1 1 337.464 0.476 20 30 ECEDMO C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079601185 781307576 /nfs/dbraw/zinc/30/75/76/781307576.db2.gz MOLGIARSPHATJP-MLGOLLRUSA-N 1 1 326.404 0.913 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(CC)on1 ZINC001077628144 781379171 /nfs/dbraw/zinc/37/91/71/781379171.db2.gz SAZVGVFWYGFMIQ-BBRMVZONSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(CC)on1 ZINC001077628144 781379179 /nfs/dbraw/zinc/37/91/79/781379179.db2.gz SAZVGVFWYGFMIQ-BBRMVZONSA-N 1 1 346.431 0.959 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)Cn2cc[nH+]c2C)nc1 ZINC001077632361 781388267 /nfs/dbraw/zinc/38/82/67/781388267.db2.gz PSEDYCFWZGCNQF-ZDUSSCGKSA-N 1 1 339.399 0.893 20 30 ECEDMO CN(c1ccnc(C#N)n1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001068679010 790879040 /nfs/dbraw/zinc/87/90/40/790879040.db2.gz IIXWXKUBWQGYHD-CYBMUJFWSA-N 1 1 328.420 0.727 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O ZINC001041402777 781441301 /nfs/dbraw/zinc/44/13/01/781441301.db2.gz CTVFFWJCHGEETI-BRWVUGGUSA-N 1 1 343.431 0.493 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+](C)CCC ZINC001077665403 781460073 /nfs/dbraw/zinc/46/00/73/781460073.db2.gz RRVPQOPTKLISRF-ZNMIVQPWSA-N 1 1 325.453 0.930 20 30 ECEDMO Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1C#N ZINC001041430743 781493548 /nfs/dbraw/zinc/49/35/48/781493548.db2.gz YUYMWRRMRQFLBX-MGPQQGTHSA-N 1 1 349.460 0.473 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041449996 781541609 /nfs/dbraw/zinc/54/16/09/781541609.db2.gz BSSBBWAJIGMPLP-ZBFHGGJFSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041449996 781541611 /nfs/dbraw/zinc/54/16/11/781541611.db2.gz BSSBBWAJIGMPLP-ZBFHGGJFSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C2)C1 ZINC001041512556 781672676 /nfs/dbraw/zinc/67/26/76/781672676.db2.gz NEICZVSWRDHKDG-SCTDSRPQSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CCN(C(=O)c4cnco4)C3)C2)C1=O ZINC001041514402 781676070 /nfs/dbraw/zinc/67/60/70/781676070.db2.gz HJFOCGOVWZSZCN-RDTXWAMCSA-N 1 1 344.415 1.000 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001077838324 781801154 /nfs/dbraw/zinc/80/11/54/781801154.db2.gz VOYDXYCIQFQWBL-HZPDHXFCSA-N 1 1 326.400 0.370 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CCOC1 ZINC001077902174 781907358 /nfs/dbraw/zinc/90/73/58/781907358.db2.gz UNFMEFKLHDXCBC-JFIYKMOQSA-N 1 1 329.400 0.646 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CCOC1 ZINC001077902174 781907365 /nfs/dbraw/zinc/90/73/65/781907365.db2.gz UNFMEFKLHDXCBC-JFIYKMOQSA-N 1 1 329.400 0.646 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCCO1 ZINC001039907866 783256718 /nfs/dbraw/zinc/25/67/18/783256718.db2.gz KYVCAGILQVJVNG-GJZGRUSLSA-N 1 1 344.419 0.154 20 30 ECEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC2(C1)CCN(CC#N)CC2 ZINC001040729368 783341128 /nfs/dbraw/zinc/34/11/28/783341128.db2.gz IDLMHCQEFDZASK-INIZCTEOSA-N 1 1 344.463 0.651 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001040760591 783379645 /nfs/dbraw/zinc/37/96/45/783379645.db2.gz OTUFMNVKNBZWCB-SUMWQHHRSA-N 1 1 338.452 0.204 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001040040567 783421667 /nfs/dbraw/zinc/42/16/67/783421667.db2.gz DPMIZFBTPAMPQL-CRAIPNDOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001040040950 783423050 /nfs/dbraw/zinc/42/30/50/783423050.db2.gz MLNRTSVNYKPUGU-YJBOKZPZSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001040040949 783423400 /nfs/dbraw/zinc/42/34/00/783423400.db2.gz MLNRTSVNYKPUGU-QAPCUYQASA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001040059007 783460589 /nfs/dbraw/zinc/46/05/89/783460589.db2.gz DPDHTTFKEDLBCP-KXBFYZLASA-N 1 1 347.459 0.354 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040813398 783489499 /nfs/dbraw/zinc/48/94/99/783489499.db2.gz QDTIHFYUVMYCOQ-ZWKOTPCHSA-N 1 1 348.447 0.873 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)c1 ZINC001038689014 783565703 /nfs/dbraw/zinc/56/57/03/783565703.db2.gz XXRVCSKEGVRLAI-IRXDYDNUSA-N 1 1 339.399 0.125 20 30 ECEDMO CC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001037841066 783632460 /nfs/dbraw/zinc/63/24/60/783632460.db2.gz OKECRQYBWQQIBU-BXUZGUMPSA-N 1 1 342.407 0.440 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001070194699 783632738 /nfs/dbraw/zinc/63/27/38/783632738.db2.gz JGVYWPAIWHBVHL-KFWWJZLASA-N 1 1 339.403 0.096 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001070212330 783667308 /nfs/dbraw/zinc/66/73/08/783667308.db2.gz DHCRDEVMOCLCRJ-GBOPCIDUSA-N 1 1 327.392 0.332 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)C#CC3CC3)CCOCC2)C1 ZINC001070254487 783749913 /nfs/dbraw/zinc/74/99/13/783749913.db2.gz MCWVSPAXCQXKEZ-OAHLLOKOSA-N 1 1 347.459 0.523 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)C#CC3CC3)CCOCC2)C1 ZINC001070254486 783750051 /nfs/dbraw/zinc/75/00/51/783750051.db2.gz MCWVSPAXCQXKEZ-HNNXBMFYSA-N 1 1 347.459 0.523 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)c3cocn3)[nH]2)[C@H](C2CC2)C1 ZINC001070351042 783860655 /nfs/dbraw/zinc/86/06/55/783860655.db2.gz DHJLVXHEHPFDJT-QWHCGFSZSA-N 1 1 340.387 0.781 20 30 ECEDMO C#CC[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3cocn3)n2)[C@H](C2CC2)C1 ZINC001070351042 783860665 /nfs/dbraw/zinc/86/06/65/783860665.db2.gz DHJLVXHEHPFDJT-QWHCGFSZSA-N 1 1 340.387 0.781 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3cocn3)n2)[C@H](C2CC2)C1 ZINC001070351042 783860675 /nfs/dbraw/zinc/86/06/75/783860675.db2.gz DHJLVXHEHPFDJT-QWHCGFSZSA-N 1 1 340.387 0.781 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)cc1 ZINC001038118719 783875860 /nfs/dbraw/zinc/87/58/60/783875860.db2.gz FBWHYSREMYKPTR-GDBMZVCRSA-N 1 1 342.399 0.558 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)cc1 ZINC001038118719 783875868 /nfs/dbraw/zinc/87/58/68/783875868.db2.gz FBWHYSREMYKPTR-GDBMZVCRSA-N 1 1 342.399 0.558 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)s2)C1 ZINC001038138434 783906677 /nfs/dbraw/zinc/90/66/77/783906677.db2.gz WHTBIGSRZPKEKY-SWLSCSKDSA-N 1 1 334.445 0.641 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)s2)C1 ZINC001038138434 783906684 /nfs/dbraw/zinc/90/66/84/783906684.db2.gz WHTBIGSRZPKEKY-SWLSCSKDSA-N 1 1 334.445 0.641 20 30 ECEDMO Cn1oc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cc1=O ZINC001038199637 783987091 /nfs/dbraw/zinc/98/70/91/783987091.db2.gz VZLYNCFRAMSGSA-CQSZACIVSA-N 1 1 326.356 0.854 20 30 ECEDMO Cn1oc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)cc1=O ZINC001038199637 783987094 /nfs/dbraw/zinc/98/70/94/783987094.db2.gz VZLYNCFRAMSGSA-CQSZACIVSA-N 1 1 326.356 0.854 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001070406506 783987414 /nfs/dbraw/zinc/98/74/14/783987414.db2.gz XBCAJAVEROWOTO-GFCCVEGCSA-N 1 1 345.403 0.997 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001070407391 783990618 /nfs/dbraw/zinc/99/06/18/783990618.db2.gz FFYZKKKTKOZAGX-JSGCOSHPSA-N 1 1 347.419 0.890 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001070407389 783990933 /nfs/dbraw/zinc/99/09/33/783990933.db2.gz DZVQUBCDRSMVNB-YPMHNXCESA-N 1 1 333.392 0.500 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001070408088 783993345 /nfs/dbraw/zinc/99/33/45/783993345.db2.gz MHXWNWBFDRUYFL-WCQYABFASA-N 1 1 333.392 0.500 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001070409711 783997515 /nfs/dbraw/zinc/99/75/15/783997515.db2.gz KMEKFTXMKONMLO-UONOGXRCSA-N 1 1 345.447 0.870 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCc2c[nH]nc2[C@H]2CCN(CC#N)C2)CC[N@H+]1C ZINC001070411792 784001221 /nfs/dbraw/zinc/00/12/21/784001221.db2.gz YXVNTKGMFXEZBW-VNHYZAJKSA-N 1 1 330.436 0.679 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001070411664 784001551 /nfs/dbraw/zinc/00/15/51/784001551.db2.gz VIHICAWJLBXEQQ-ZDUSSCGKSA-N 1 1 338.415 0.905 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c(C)ncn2C)C1 ZINC001070412470 784003987 /nfs/dbraw/zinc/00/39/87/784003987.db2.gz AOCRDOXMGOSERV-ZDUSSCGKSA-N 1 1 326.404 0.804 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001070412827 784006842 /nfs/dbraw/zinc/00/68/42/784006842.db2.gz LGWQTQIYGTVJFN-VBQJREDUSA-N 1 1 346.431 0.642 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001070413177 784008619 /nfs/dbraw/zinc/00/86/19/784008619.db2.gz VSDLVXWISQLJMD-DZGCQCFKSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnc3nccn3c2)C1 ZINC001070414066 784011542 /nfs/dbraw/zinc/01/15/42/784011542.db2.gz DJNHFKAHTPCDHZ-CYBMUJFWSA-N 1 1 349.398 0.805 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnc[nH]c2=O)C1 ZINC001070415182 784016016 /nfs/dbraw/zinc/01/60/16/784016016.db2.gz YPOXHCAREKPLDX-GFCCVEGCSA-N 1 1 340.387 0.648 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC001070416077 784018408 /nfs/dbraw/zinc/01/84/08/784018408.db2.gz IQFUKXREFVSVSV-LBPRGKRZSA-N 1 1 349.398 0.985 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001070419544 784024994 /nfs/dbraw/zinc/02/49/94/784024994.db2.gz BRGSRNFDUAAGCM-LLVKDONJSA-N 1 1 330.392 0.754 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001070419564 784025123 /nfs/dbraw/zinc/02/51/23/784025123.db2.gz BZXXVCHOOAFRQK-WCQYABFASA-N 1 1 332.408 0.025 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn3cccnc23)C1 ZINC001070419624 784026244 /nfs/dbraw/zinc/02/62/44/784026244.db2.gz DGRAVQAPLOQZLJ-CYBMUJFWSA-N 1 1 349.398 0.805 20 30 ECEDMO C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001070422736 784035515 /nfs/dbraw/zinc/03/55/15/784035515.db2.gz HKTZPXXWCACVIF-HNNXBMFYSA-N 1 1 329.448 0.790 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCCO)C1 ZINC001070424173 784038287 /nfs/dbraw/zinc/03/82/87/784038287.db2.gz CHJMQEJVNPJKHR-BMFZPTHFSA-N 1 1 348.447 0.789 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnc3cccnn32)C1 ZINC001070427828 784045755 /nfs/dbraw/zinc/04/57/55/784045755.db2.gz FHQATOWARBBETE-CYBMUJFWSA-N 1 1 349.398 0.805 20 30 ECEDMO C=CCn1cc(C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CC)C2)nn1 ZINC001070427902 784046480 /nfs/dbraw/zinc/04/64/80/784046480.db2.gz HNZPYJWTPIMWIE-GFCCVEGCSA-N 1 1 329.408 0.926 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2conc2COC)C1 ZINC001070432284 784055667 /nfs/dbraw/zinc/05/56/67/784055667.db2.gz AQLPQVGRGSWALU-GFCCVEGCSA-N 1 1 343.387 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001070435681 784066251 /nfs/dbraw/zinc/06/62/51/784066251.db2.gz NXLCKBJFEJWLDW-GDBMZVCRSA-N 1 1 343.431 0.459 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C1CCOCC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070439352 784074085 /nfs/dbraw/zinc/07/40/85/784074085.db2.gz QNHRBYTXXYHGHD-OAHLLOKOSA-N 1 1 345.447 0.954 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ccnn1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070443111 784089309 /nfs/dbraw/zinc/08/93/09/784089309.db2.gz XRVTZTAXDWLXPF-CYBMUJFWSA-N 1 1 341.419 0.574 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)CC(C)(C)O)C[C@H]2c1nnc(C)[nH]1 ZINC001070446114 784099251 /nfs/dbraw/zinc/09/92/51/784099251.db2.gz SKNCRGUYXXWNBB-ZDUSSCGKSA-N 1 1 333.436 0.688 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001070913119 784103572 /nfs/dbraw/zinc/10/35/72/784103572.db2.gz BWTDSDNHBZTTBZ-OAGGEKHMSA-N 1 1 342.399 0.758 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001070913119 784103575 /nfs/dbraw/zinc/10/35/75/784103575.db2.gz BWTDSDNHBZTTBZ-OAGGEKHMSA-N 1 1 342.399 0.758 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1n[nH]cc1F)C[C@H]2c1nnc(C)[nH]1 ZINC001070447999 784104241 /nfs/dbraw/zinc/10/42/41/784104241.db2.gz SPVMWTXEMUOZQC-NSHDSACASA-N 1 1 345.382 0.703 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001070917371 784111386 /nfs/dbraw/zinc/11/13/86/784111386.db2.gz WKRGTEVQBOBYEY-LSDHHAIUSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC001070921682 784119108 /nfs/dbraw/zinc/11/91/08/784119108.db2.gz IVXDCNHFQKEYTH-CABCVRRESA-N 1 1 335.448 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC001070921682 784119112 /nfs/dbraw/zinc/11/91/12/784119112.db2.gz IVXDCNHFQKEYTH-CABCVRRESA-N 1 1 335.448 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001070921767 784119983 /nfs/dbraw/zinc/11/99/83/784119983.db2.gz MVEDQDICNNHIEK-SJORKVTESA-N 1 1 327.428 0.605 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001070921767 784119985 /nfs/dbraw/zinc/11/99/85/784119985.db2.gz MVEDQDICNNHIEK-SJORKVTESA-N 1 1 327.428 0.605 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001070475060 784155443 /nfs/dbraw/zinc/15/54/43/784155443.db2.gz BPZSHWUXKWMWSI-OSAQELSMSA-N 1 1 328.376 0.652 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1c1cn(C)cn1 ZINC001070475294 784155682 /nfs/dbraw/zinc/15/56/82/784155682.db2.gz MHXKZGBNLNUOTP-UAGQMJEPSA-N 1 1 331.464 0.974 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC001070942133 784178114 /nfs/dbraw/zinc/17/81/14/784178114.db2.gz PZILAUUHUMQFBF-UHFFFAOYSA-N 1 1 333.436 0.812 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC001070942133 784178117 /nfs/dbraw/zinc/17/81/17/784178117.db2.gz PZILAUUHUMQFBF-UHFFFAOYSA-N 1 1 333.436 0.812 20 30 ECEDMO Cn1cnc([C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2NCC#N)c1 ZINC001070502382 784199219 /nfs/dbraw/zinc/19/92/19/784199219.db2.gz NGFSDEORRZHUJO-HLLBOEOZSA-N 1 1 344.463 0.702 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1c1cn(C)cn1 ZINC001070505998 784203449 /nfs/dbraw/zinc/20/34/49/784203449.db2.gz SMYKFZBNRNXKLJ-UAGQMJEPSA-N 1 1 331.464 0.974 20 30 ECEDMO CC(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070954892 784215548 /nfs/dbraw/zinc/21/55/48/784215548.db2.gz AEDCTVUBLJDWHL-UHFFFAOYSA-N 1 1 331.420 0.806 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001070963499 784244028 /nfs/dbraw/zinc/24/40/28/784244028.db2.gz USDAMCFXLVRYAO-INIZCTEOSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964732 784249255 /nfs/dbraw/zinc/24/92/55/784249255.db2.gz WSCCZCAGTKETTF-HZPDHXFCSA-N 1 1 334.464 0.000 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001070971853 784276417 /nfs/dbraw/zinc/27/64/17/784276417.db2.gz VCQZRTRYEBIYRS-UHFFFAOYSA-N 1 1 347.419 0.413 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001070972673 784280407 /nfs/dbraw/zinc/28/04/07/784280407.db2.gz FVORIAPZYQWRFY-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnc(OC)n2)CC1 ZINC001070978990 784301720 /nfs/dbraw/zinc/30/17/20/784301720.db2.gz NCRIZWSEOBJWSB-UHFFFAOYSA-N 1 1 347.419 0.325 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnc(OC)n2)CC1 ZINC001070978990 784301730 /nfs/dbraw/zinc/30/17/30/784301730.db2.gz NCRIZWSEOBJWSB-UHFFFAOYSA-N 1 1 347.419 0.325 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001070982790 784315013 /nfs/dbraw/zinc/31/50/13/784315013.db2.gz MWQJQLVLZXNLQK-AEFFLSMTSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001070982790 784315022 /nfs/dbraw/zinc/31/50/22/784315022.db2.gz MWQJQLVLZXNLQK-AEFFLSMTSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2coc(OC)n2)CC1 ZINC001070982879 784316855 /nfs/dbraw/zinc/31/68/55/784316855.db2.gz RJLRYMRDZYHLEF-UHFFFAOYSA-N 1 1 336.392 0.523 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2coc(OC)n2)CC1 ZINC001070982879 784316861 /nfs/dbraw/zinc/31/68/61/784316861.db2.gz RJLRYMRDZYHLEF-UHFFFAOYSA-N 1 1 336.392 0.523 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001070993506 784349032 /nfs/dbraw/zinc/34/90/32/784349032.db2.gz CWBPSHWGILRFGE-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001070993506 784349034 /nfs/dbraw/zinc/34/90/34/784349034.db2.gz CWBPSHWGILRFGE-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001070993508 784349127 /nfs/dbraw/zinc/34/91/27/784349127.db2.gz CWBPSHWGILRFGE-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001070993508 784349137 /nfs/dbraw/zinc/34/91/37/784349137.db2.gz CWBPSHWGILRFGE-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCCO2)n1 ZINC001070594647 784402591 /nfs/dbraw/zinc/40/25/91/784402591.db2.gz IALUVOSLDPUMJQ-SOUVJXGZSA-N 1 1 332.404 0.723 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnccn2)n1 ZINC001070594844 784403454 /nfs/dbraw/zinc/40/34/54/784403454.db2.gz TUWBVKNZIPCYDI-KBPBESRZSA-N 1 1 340.387 0.648 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ncc[nH]2)n1 ZINC001070596785 784408013 /nfs/dbraw/zinc/40/80/13/784408013.db2.gz ZHDCVYZBFZGOPU-KBPBESRZSA-N 1 1 342.403 0.971 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CC3CC3)CC2)nc1 ZINC001071015583 784421407 /nfs/dbraw/zinc/42/14/07/784421407.db2.gz KVWIZONGDLCWRL-UHFFFAOYSA-N 1 1 340.427 0.737 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CC3CC3)CC2)nc1 ZINC001071015583 784421414 /nfs/dbraw/zinc/42/14/14/784421414.db2.gz KVWIZONGDLCWRL-UHFFFAOYSA-N 1 1 340.427 0.737 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001071015670 784421945 /nfs/dbraw/zinc/42/19/45/784421945.db2.gz OSEQAIBBKFYGIW-MRXNPFEDSA-N 1 1 336.480 0.555 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CCCF)CC2)nc1 ZINC001071015696 784422428 /nfs/dbraw/zinc/42/24/28/784422428.db2.gz PRZKYCVIXUFEFK-UHFFFAOYSA-N 1 1 346.406 0.687 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CCCF)CC2)nc1 ZINC001071015696 784422433 /nfs/dbraw/zinc/42/24/33/784422433.db2.gz PRZKYCVIXUFEFK-UHFFFAOYSA-N 1 1 346.406 0.687 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)n(C)c2C)CC1 ZINC001071019656 784435755 /nfs/dbraw/zinc/43/57/55/784435755.db2.gz YINAJRNBORNKKW-UHFFFAOYSA-N 1 1 344.459 0.929 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)n(C)c2C)CC1 ZINC001071019656 784435757 /nfs/dbraw/zinc/43/57/57/784435757.db2.gz YINAJRNBORNKKW-UHFFFAOYSA-N 1 1 344.459 0.929 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cnn(C)c2)CC1 ZINC001071022827 784446905 /nfs/dbraw/zinc/44/69/05/784446905.db2.gz COQAJZDWZISDKE-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C2CCOCC2)CC1 ZINC001071026691 784457221 /nfs/dbraw/zinc/45/72/21/784457221.db2.gz GIXJXCPEAMYLSI-INIZCTEOSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C2CCOCC2)CC1 ZINC001071026691 784457222 /nfs/dbraw/zinc/45/72/22/784457222.db2.gz GIXJXCPEAMYLSI-INIZCTEOSA-N 1 1 349.475 0.723 20 30 ECEDMO Cn1cncc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1ccon1 ZINC001070644776 784488662 /nfs/dbraw/zinc/48/86/62/784488662.db2.gz BNFGVNPLEQPMIU-HZPDHXFCSA-N 1 1 339.399 0.906 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001071060966 784499730 /nfs/dbraw/zinc/49/97/30/784499730.db2.gz GWRLJSQSERTBSH-AEFFLSMTSA-N 1 1 330.432 0.961 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1c1cncn1C ZINC001070654570 784505221 /nfs/dbraw/zinc/50/52/21/784505221.db2.gz XQAWKHSDLDDFRC-HUUCEWRRSA-N 1 1 328.420 0.846 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc(C)cn1)C[C@H](C)O2 ZINC001071138899 784585412 /nfs/dbraw/zinc/58/54/12/784585412.db2.gz MCUBVXKYNSFRQC-WMZOPIPTSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@@H](C)O2 ZINC001071159214 784626219 /nfs/dbraw/zinc/62/62/19/784626219.db2.gz IZUHCXILGZRXEY-KDOFPFPSSA-N 1 1 333.432 0.180 20 30 ECEDMO N#CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001070736272 784637223 /nfs/dbraw/zinc/63/72/23/784637223.db2.gz WOICXWHMEZDEIC-NWDGAFQWSA-N 1 1 347.398 0.125 20 30 ECEDMO N#CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001070736272 784637227 /nfs/dbraw/zinc/63/72/27/784637227.db2.gz WOICXWHMEZDEIC-NWDGAFQWSA-N 1 1 347.398 0.125 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@@H+](CCn3cccn3)C2)O1 ZINC001071166080 784640410 /nfs/dbraw/zinc/64/04/10/784640410.db2.gz BQFNXSOOTDVNIR-LPHOPBHVSA-N 1 1 342.443 0.988 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@@H](C)O2 ZINC001071166848 784643095 /nfs/dbraw/zinc/64/30/95/784643095.db2.gz OUNSGDWHYRXQIQ-DYVFJYSZSA-N 1 1 333.436 0.924 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 ZINC001071169738 784649180 /nfs/dbraw/zinc/64/91/80/784649180.db2.gz WGTIPDVGSLZJRF-GDBMZVCRSA-N 1 1 334.424 0.331 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1ccn(C)n1)C[C@H](C)O2 ZINC001071171545 784653672 /nfs/dbraw/zinc/65/36/72/784653672.db2.gz ONUGMZKOTRZCEV-MAUKXSAKSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1ccn(C)n1)C[C@@H](C)O2 ZINC001071171546 784654270 /nfs/dbraw/zinc/65/42/70/784654270.db2.gz ONUGMZKOTRZCEV-QAPCUYQASA-N 1 1 330.432 0.678 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)C[C@H](C)O2 ZINC001071174286 784661808 /nfs/dbraw/zinc/66/18/08/784661808.db2.gz VYPVZNWWVXUAAC-YVEFUNNKSA-N 1 1 342.403 0.844 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nnn1CC)C[C@H](C)O2 ZINC001071175145 784662735 /nfs/dbraw/zinc/66/27/35/784662735.db2.gz BMBOEWOJCUPHDR-GUYCJALGSA-N 1 1 331.420 0.545 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OCC)n[nH]1)C[C@@H](C)O2 ZINC001071177767 784669835 /nfs/dbraw/zinc/66/98/35/784669835.db2.gz GDOIYLPMWNWOMG-DYVFJYSZSA-N 1 1 332.404 0.747 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(CCF)c1)C[C@H](C)O2 ZINC001071183915 784685800 /nfs/dbraw/zinc/68/58/00/784685800.db2.gz VIUYUMXUIADALD-YOEHRIQHSA-N 1 1 334.395 0.791 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(CCF)c1)C[C@H](C)O2 ZINC001071183915 784685808 /nfs/dbraw/zinc/68/58/08/784685808.db2.gz VIUYUMXUIADALD-YOEHRIQHSA-N 1 1 334.395 0.791 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@@H](C)O2 ZINC001071184148 784686995 /nfs/dbraw/zinc/68/69/95/784686995.db2.gz YWUHQLUIYURGHA-BEFAXECRSA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071189127 784694506 /nfs/dbraw/zinc/69/45/06/784694506.db2.gz GMECVBLOTKQZBE-BEFAXECRSA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071189127 784694511 /nfs/dbraw/zinc/69/45/11/784694511.db2.gz GMECVBLOTKQZBE-BEFAXECRSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@H](C)O2 ZINC001071189981 784696683 /nfs/dbraw/zinc/69/66/83/784696683.db2.gz RWVRAMBBBVCKLS-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn[nH]n1)C[C@@H](C)O2 ZINC001071211203 784745811 /nfs/dbraw/zinc/74/58/11/784745811.db2.gz DNTNOUILNLKZTI-PBHICJAKSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@@H](C)O2 ZINC001071211203 784745818 /nfs/dbraw/zinc/74/58/18/784745818.db2.gz DNTNOUILNLKZTI-PBHICJAKSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@@H](C)O2 ZINC001071211203 784745823 /nfs/dbraw/zinc/74/58/23/784745823.db2.gz DNTNOUILNLKZTI-PBHICJAKSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@@H](C)O2 ZINC001071211203 784745827 /nfs/dbraw/zinc/74/58/27/784745827.db2.gz DNTNOUILNLKZTI-PBHICJAKSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@@H](C)O2 ZINC001071211203 784745830 /nfs/dbraw/zinc/74/58/30/784745830.db2.gz DNTNOUILNLKZTI-PBHICJAKSA-N 1 1 331.420 0.452 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CCCO)C3)C2)nn1 ZINC001071215668 784753934 /nfs/dbraw/zinc/75/39/34/784753934.db2.gz FOMMMAZVEBURPP-WMLDXEAASA-N 1 1 349.435 0.152 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CC=C)C3)C2)nn1 ZINC001071215751 784754660 /nfs/dbraw/zinc/75/46/60/784754660.db2.gz GQJJDQJZNUONNS-RHSMWYFYSA-N 1 1 331.420 0.956 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC=C)nn1)C[C@@H](C)O2 ZINC001071216862 784758349 /nfs/dbraw/zinc/75/83/49/784758349.db2.gz XITYAMQSTBWQRU-PBHICJAKSA-N 1 1 329.404 0.403 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC=C)nn1)C[C@@H](C)O2 ZINC001071216862 784758358 /nfs/dbraw/zinc/75/83/58/784758358.db2.gz XITYAMQSTBWQRU-PBHICJAKSA-N 1 1 329.404 0.403 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@H](C)O2 ZINC001071218371 784762927 /nfs/dbraw/zinc/76/29/27/784762927.db2.gz MRLVJKGVGDKBDL-GUYCJALGSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@H](C)O2 ZINC001071218371 784762931 /nfs/dbraw/zinc/76/29/31/784762931.db2.gz MRLVJKGVGDKBDL-GUYCJALGSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CCN1CC[C@]2(C1)CN(C(=O)COC1CC[NH+](C)CC1)C[C@@H](C)O2 ZINC001071225679 784782157 /nfs/dbraw/zinc/78/21/57/784782157.db2.gz NUDIITXRIWCNRS-APWZRJJASA-N 1 1 349.475 0.422 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnccn1)C[C@H](C)O2 ZINC001071225748 784782393 /nfs/dbraw/zinc/78/23/93/784782393.db2.gz OZNXSPCUVBJVQX-MAUKXSAKSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC3CC3)nn1)C[C@H](C)O2 ZINC001071226085 784784421 /nfs/dbraw/zinc/78/44/21/784784421.db2.gz UWDDPEWQOREVML-KSSFIOAISA-N 1 1 343.431 0.627 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC3CC3)nn1)C[C@H](C)O2 ZINC001071226085 784784423 /nfs/dbraw/zinc/78/44/23/784784423.db2.gz UWDDPEWQOREVML-KSSFIOAISA-N 1 1 343.431 0.627 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1conc1COC)C[C@H](C)O2 ZINC001071228709 784789450 /nfs/dbraw/zinc/78/94/50/784789450.db2.gz YSRGXOIURINEHR-SUMWQHHRSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1conc1COC)C[C@H](C)O2 ZINC001071228709 784789454 /nfs/dbraw/zinc/78/94/54/784789454.db2.gz YSRGXOIURINEHR-SUMWQHHRSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@@H](C)O2 ZINC001071230734 784793449 /nfs/dbraw/zinc/79/34/49/784793449.db2.gz KCQRBSKLZDVPDM-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@H](C)O2 ZINC001071230733 784793813 /nfs/dbraw/zinc/79/38/13/784793813.db2.gz KCQRBSKLZDVPDM-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001070889980 784796435 /nfs/dbraw/zinc/79/64/35/784796435.db2.gz PGSHDCUSBBHCSL-KDOFPFPSSA-N 1 1 337.464 0.905 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@@H](C)O2 ZINC001071239087 784810877 /nfs/dbraw/zinc/81/08/77/784810877.db2.gz WGFOQRQVIBSRKE-VQIMIIECSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@@H](C)O2 ZINC001071241075 784815159 /nfs/dbraw/zinc/81/51/59/784815159.db2.gz OQADCHNSOKEETM-QAPCUYQASA-N 1 1 329.400 0.173 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@@H](C)O2 ZINC001071244069 784822431 /nfs/dbraw/zinc/82/24/31/784822431.db2.gz OZRJZAVSRBSPRK-RDTXWAMCSA-N 1 1 348.447 0.605 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(C(N)=O)n1)C[C@@H](C)O2 ZINC001071245805 784826297 /nfs/dbraw/zinc/82/62/97/784826297.db2.gz JYKMRYRVNZGTCZ-FZKQIMNGSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@@H](C)O2 ZINC001071248906 784832835 /nfs/dbraw/zinc/83/28/35/784832835.db2.gz VMJIMOMLSFBYTP-PBHICJAKSA-N 1 1 331.420 0.073 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cncnc3)C2)C(=O)C1 ZINC001071262178 784874816 /nfs/dbraw/zinc/87/48/16/784874816.db2.gz DYDVYHDYRBWWHG-MRXNPFEDSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cncnc3)C2)C(=O)C1 ZINC001071262178 784874826 /nfs/dbraw/zinc/87/48/26/784874826.db2.gz DYDVYHDYRBWWHG-MRXNPFEDSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)Cc3cnoc3)C2)C(=O)C1 ZINC001071270956 784902411 /nfs/dbraw/zinc/90/24/11/784902411.db2.gz QUNSZKAZGDBJHI-MRXNPFEDSA-N 1 1 346.431 0.928 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)Cc3cnoc3)C2)C(=O)C1 ZINC001071270956 784902414 /nfs/dbraw/zinc/90/24/14/784902414.db2.gz QUNSZKAZGDBJHI-MRXNPFEDSA-N 1 1 346.431 0.928 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071430928 785077708 /nfs/dbraw/zinc/07/77/08/785077708.db2.gz HUMLRPQLPDISII-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CC(=O)NC1CC1 ZINC001071430928 785077713 /nfs/dbraw/zinc/07/77/13/785077713.db2.gz HUMLRPQLPDISII-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCn3cncn3)C2)c1 ZINC001071813941 785145366 /nfs/dbraw/zinc/14/53/66/785145366.db2.gz FZAIGTPEMWKLMI-PBHICJAKSA-N 1 1 338.415 0.937 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)CC[C@@H]1C ZINC001071531251 785253515 /nfs/dbraw/zinc/25/35/15/785253515.db2.gz JIDRDCHPVNPHSI-KBPBESRZSA-N 1 1 332.452 0.963 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071549021 785285274 /nfs/dbraw/zinc/28/52/74/785285274.db2.gz NGJOPXDHEKUFTO-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001071926476 785349195 /nfs/dbraw/zinc/34/91/95/785349195.db2.gz YOIHXPMPSZFAMS-IUODEOHRSA-N 1 1 331.420 0.805 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001072099974 785667953 /nfs/dbraw/zinc/66/79/53/785667953.db2.gz AIPLLOVMTGPSSN-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072136724 785730730 /nfs/dbraw/zinc/73/07/30/785730730.db2.gz ZNUJAGXKQVNBES-DGCLKSJQSA-N 1 1 335.433 0.411 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001072283460 785971119 /nfs/dbraw/zinc/97/11/19/785971119.db2.gz SILXLLJPCBZLEY-STQMWFEESA-N 1 1 326.466 0.546 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001072336090 786041758 /nfs/dbraw/zinc/04/17/58/786041758.db2.gz IUDOAMKJEBVYRT-DZGCQCFKSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001072338339 786043535 /nfs/dbraw/zinc/04/35/35/786043535.db2.gz CSQORDVEXDIROG-HUUCEWRRSA-N 1 1 325.453 0.882 20 30 ECEDMO NC(=O)CC(=O)N1CC2(C1)CC[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC001072564953 786372224 /nfs/dbraw/zinc/37/22/24/786372224.db2.gz BUCKYIPTCPGRMF-UHFFFAOYSA-N 1 1 329.375 0.587 20 30 ECEDMO NC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC001072564953 786372226 /nfs/dbraw/zinc/37/22/26/786372226.db2.gz BUCKYIPTCPGRMF-UHFFFAOYSA-N 1 1 329.375 0.587 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)C3CC=CC3)C2)C1=O ZINC001073560372 786603473 /nfs/dbraw/zinc/60/34/73/786603473.db2.gz KCMHMUVRLJJDFG-SJORKVTESA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)C3CC=CC3)C2)C1=O ZINC001073560372 786603479 /nfs/dbraw/zinc/60/34/79/786603479.db2.gz KCMHMUVRLJJDFG-SJORKVTESA-N 1 1 347.459 0.947 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001073569103 786635264 /nfs/dbraw/zinc/63/52/64/786635264.db2.gz KSPJQDOTZMZFFT-UHFFFAOYSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCCCC(=O)N1CC(N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001073579162 786668646 /nfs/dbraw/zinc/66/86/46/786668646.db2.gz GYNUHCYYVBAYOB-UHFFFAOYSA-N 1 1 348.491 0.485 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001073597196 786733107 /nfs/dbraw/zinc/73/31/07/786733107.db2.gz SGPDEUOYUHALKC-HNNXBMFYSA-N 1 1 349.479 0.233 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073608288 786763786 /nfs/dbraw/zinc/76/37/86/786763786.db2.gz MTLJNSXUHQUBAT-OAGGEKHMSA-N 1 1 326.437 0.557 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001073626842 786802176 /nfs/dbraw/zinc/80/21/76/786802176.db2.gz URBUHYZIUMUBBI-MRXNPFEDSA-N 1 1 347.415 0.557 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073630086 786813714 /nfs/dbraw/zinc/81/37/14/786813714.db2.gz MKGMPASFVPWIIG-LSDHHAIUSA-N 1 1 342.461 0.184 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073630086 786813723 /nfs/dbraw/zinc/81/37/23/786813723.db2.gz MKGMPASFVPWIIG-LSDHHAIUSA-N 1 1 342.461 0.184 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073630373 786815983 /nfs/dbraw/zinc/81/59/83/786815983.db2.gz TYQGVKOSAXFPJJ-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001073630761 786818266 /nfs/dbraw/zinc/81/82/66/786818266.db2.gz DHCNDGWNFUWUNH-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001073630761 786818273 /nfs/dbraw/zinc/81/82/73/786818273.db2.gz DHCNDGWNFUWUNH-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOC)[C@@H]3C2)nc1 ZINC001074385626 786821716 /nfs/dbraw/zinc/82/17/16/786821716.db2.gz VGOAUVSRGAZBPD-SJORKVTESA-N 1 1 329.400 0.625 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CCOC)[C@@H]3C2)nc1 ZINC001074385626 786821721 /nfs/dbraw/zinc/82/17/21/786821721.db2.gz VGOAUVSRGAZBPD-SJORKVTESA-N 1 1 329.400 0.625 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001073634396 786831536 /nfs/dbraw/zinc/83/15/36/786831536.db2.gz QTVPKAOTZXVONW-ZBFHGGJFSA-N 1 1 330.432 0.975 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001073652233 786877199 /nfs/dbraw/zinc/87/71/99/786877199.db2.gz TYXZJMZTYIPWDG-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001073652233 786877200 /nfs/dbraw/zinc/87/72/00/786877200.db2.gz TYXZJMZTYIPWDG-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnn2CCOC)C1 ZINC001073652413 786878435 /nfs/dbraw/zinc/87/84/35/786878435.db2.gz YWODZBRGCRKZKS-HNNXBMFYSA-N 1 1 336.436 0.926 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001073662989 786907541 /nfs/dbraw/zinc/90/75/41/786907541.db2.gz SRMLUVSDZNJCLD-CQSZACIVSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001073662989 786907544 /nfs/dbraw/zinc/90/75/44/786907544.db2.gz SRMLUVSDZNJCLD-CQSZACIVSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(CN(C)C)on2)C1 ZINC001073667984 786921041 /nfs/dbraw/zinc/92/10/41/786921041.db2.gz SZHZPZFRHNWPEP-HNNXBMFYSA-N 1 1 334.420 0.580 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]21 ZINC001074418040 786921301 /nfs/dbraw/zinc/92/13/01/786921301.db2.gz YMMRTRGSWXZCAO-HOTGVXAUSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]21 ZINC001074418040 786921309 /nfs/dbraw/zinc/92/13/09/786921309.db2.gz YMMRTRGSWXZCAO-HOTGVXAUSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001073670829 786927158 /nfs/dbraw/zinc/92/71/58/786927158.db2.gz PPUZQTMEZAIZHZ-GFCCVEGCSA-N 1 1 329.360 0.117 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001073670829 786927163 /nfs/dbraw/zinc/92/71/63/786927163.db2.gz PPUZQTMEZAIZHZ-GFCCVEGCSA-N 1 1 329.360 0.117 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001073677650 786948632 /nfs/dbraw/zinc/94/86/32/786948632.db2.gz NNDSAIPBYCUWCH-CQSZACIVSA-N 1 1 345.399 0.697 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001073696266 786987618 /nfs/dbraw/zinc/98/76/18/786987618.db2.gz FXDAKCNBYOWQND-AWEZNQCLSA-N 1 1 342.403 0.207 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001073697611 786994004 /nfs/dbraw/zinc/99/40/04/786994004.db2.gz NZPURGVUEWOLPH-ZDUSSCGKSA-N 1 1 333.388 0.228 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001073697611 786994009 /nfs/dbraw/zinc/99/40/09/786994009.db2.gz NZPURGVUEWOLPH-ZDUSSCGKSA-N 1 1 333.388 0.228 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001073697607 786994151 /nfs/dbraw/zinc/99/41/51/786994151.db2.gz NZDREXIYFNLWPV-ZDUSSCGKSA-N 1 1 335.404 0.780 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001073697871 786994875 /nfs/dbraw/zinc/99/48/75/786994875.db2.gz SABOPTYUBULUBE-CYBMUJFWSA-N 1 1 335.404 0.780 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001073710292 787020625 /nfs/dbraw/zinc/02/06/25/787020625.db2.gz WHWPVKKZOXNXDG-LSDHHAIUSA-N 1 1 333.436 0.542 20 30 ECEDMO C=CCN1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073710376 787021055 /nfs/dbraw/zinc/02/10/55/787021055.db2.gz YSRARLIDGWKDKD-GARNVTTQSA-N 1 1 335.448 0.243 20 30 ECEDMO C=CCN1CCCO[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073710376 787021062 /nfs/dbraw/zinc/02/10/62/787021062.db2.gz YSRARLIDGWKDKD-GARNVTTQSA-N 1 1 335.448 0.243 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CCCC)C1 ZINC001073713049 787029221 /nfs/dbraw/zinc/02/92/21/787029221.db2.gz RWDXJTABNIQJFA-DLBZAZTESA-N 1 1 337.464 0.328 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CCCC)C1 ZINC001073713049 787029231 /nfs/dbraw/zinc/02/92/31/787029231.db2.gz RWDXJTABNIQJFA-DLBZAZTESA-N 1 1 337.464 0.328 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001073722619 787057799 /nfs/dbraw/zinc/05/77/99/787057799.db2.gz NDRDNUDWTPEUHF-KGLIPLIRSA-N 1 1 333.388 0.980 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001073722619 787057802 /nfs/dbraw/zinc/05/78/02/787057802.db2.gz NDRDNUDWTPEUHF-KGLIPLIRSA-N 1 1 333.388 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@H](CC)C(N)=O)CCCO2)cc1 ZINC001073724492 787064889 /nfs/dbraw/zinc/06/48/89/787064889.db2.gz XIFWSQWTRRFMDM-DLBZAZTESA-N 1 1 343.427 0.753 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@H](CC)C(N)=O)CCCO2)cc1 ZINC001073724492 787064898 /nfs/dbraw/zinc/06/48/98/787064898.db2.gz XIFWSQWTRRFMDM-DLBZAZTESA-N 1 1 343.427 0.753 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001073724436 787065233 /nfs/dbraw/zinc/06/52/33/787065233.db2.gz VLEIALIPSZZGAD-AWEZNQCLSA-N 1 1 332.404 0.643 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001073726053 787065807 /nfs/dbraw/zinc/06/58/07/787065807.db2.gz CAJFDTOXCCYFJH-OAHLLOKOSA-N 1 1 341.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001073726053 787065816 /nfs/dbraw/zinc/06/58/16/787065816.db2.gz CAJFDTOXCCYFJH-OAHLLOKOSA-N 1 1 341.415 0.800 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001073741162 787095373 /nfs/dbraw/zinc/09/53/73/787095373.db2.gz PFINVCYFABPWFM-GOEBONIOSA-N 1 1 332.448 0.918 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073741961 787098637 /nfs/dbraw/zinc/09/86/37/787098637.db2.gz ZLJSZOYMNKOCBY-IAGOWNOFSA-N 1 1 337.464 0.326 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073741961 787098648 /nfs/dbraw/zinc/09/86/48/787098648.db2.gz ZLJSZOYMNKOCBY-IAGOWNOFSA-N 1 1 337.464 0.326 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001074511406 787131192 /nfs/dbraw/zinc/13/11/92/787131192.db2.gz HSIUWNAHRFPLPW-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)CCCO2)c1 ZINC001073763223 787152163 /nfs/dbraw/zinc/15/21/63/787152163.db2.gz YNKKSCNMFLAONH-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)CCCO2)c1 ZINC001073763223 787152166 /nfs/dbraw/zinc/15/21/66/787152166.db2.gz YNKKSCNMFLAONH-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001073769697 787168877 /nfs/dbraw/zinc/16/88/77/787168877.db2.gz OEJCNADBYIMSMP-ZNMIVQPWSA-N 1 1 339.436 0.015 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001073785668 787196153 /nfs/dbraw/zinc/19/61/53/787196153.db2.gz PHVDXFKXIKGKQW-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001073785668 787196155 /nfs/dbraw/zinc/19/61/55/787196155.db2.gz PHVDXFKXIKGKQW-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001073821574 787267893 /nfs/dbraw/zinc/26/78/93/787267893.db2.gz MSSYAPSAZNFLRB-CQSZACIVSA-N 1 1 334.420 0.660 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2CC(F)(F)F)[C@@H]1C ZINC001074567848 787280997 /nfs/dbraw/zinc/28/09/97/787280997.db2.gz AFBBVDLKCFPRDP-UTLUCORTSA-N 1 1 345.329 0.474 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2-c2ccccc2)[C@@H]1C ZINC001074568565 787281966 /nfs/dbraw/zinc/28/19/66/787281966.db2.gz SIZGBTQXIYRASE-YDHLFZDLSA-N 1 1 339.403 0.901 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cc3ccn[nH]3)[C@H]2C)C1=O ZINC001074580796 787314425 /nfs/dbraw/zinc/31/44/25/787314425.db2.gz PKHZLQOZMPDTCQ-QEJZJMRPSA-N 1 1 331.420 0.318 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074582489 787324041 /nfs/dbraw/zinc/32/40/41/787324041.db2.gz UWLAAWFCXFYZKI-MRXNPFEDSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nccn3cc(C)nc23)C1 ZINC001073848350 787350111 /nfs/dbraw/zinc/35/01/11/787350111.db2.gz UEGLOEGCTNPCSF-CQSZACIVSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2nccn3cc(C)nc23)C1 ZINC001073848350 787350120 /nfs/dbraw/zinc/35/01/20/787350120.db2.gz UEGLOEGCTNPCSF-CQSZACIVSA-N 1 1 327.388 0.492 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001073848398 787350175 /nfs/dbraw/zinc/35/01/75/787350175.db2.gz VKXPOJNPMKGZAH-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001073850704 787359470 /nfs/dbraw/zinc/35/94/70/787359470.db2.gz JBJCDGKKMPMNDU-OAHLLOKOSA-N 1 1 343.387 0.373 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001073850704 787359478 /nfs/dbraw/zinc/35/94/78/787359478.db2.gz JBJCDGKKMPMNDU-OAHLLOKOSA-N 1 1 343.387 0.373 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C[C@H](C)OC)CCCO2)nc1 ZINC001073863506 787394014 /nfs/dbraw/zinc/39/40/14/787394014.db2.gz SKFHSKWNRUIPGB-HOCLYGCPSA-N 1 1 331.416 0.919 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001073874062 787417530 /nfs/dbraw/zinc/41/75/30/787417530.db2.gz RBQKNQNVGGTJFW-GFCCVEGCSA-N 1 1 343.387 0.737 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001073886746 787439562 /nfs/dbraw/zinc/43/95/62/787439562.db2.gz WHALOOHZXBSKAL-INIZCTEOSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001073886746 787439565 /nfs/dbraw/zinc/43/95/65/787439565.db2.gz WHALOOHZXBSKAL-INIZCTEOSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CC(C)C)CC1 ZINC001074627404 787442357 /nfs/dbraw/zinc/44/23/57/787442357.db2.gz MHHGBXKJWCNRFU-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CC(C)C)CC1 ZINC001074627404 787442361 /nfs/dbraw/zinc/44/23/61/787442361.db2.gz MHHGBXKJWCNRFU-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccnc2N(C)C)C1 ZINC001073889316 787443925 /nfs/dbraw/zinc/44/39/25/787443925.db2.gz NNTFAZZIRVLWHB-HNNXBMFYSA-N 1 1 330.432 0.992 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c(C)nn3cccnc23)C1 ZINC001073889606 787445218 /nfs/dbraw/zinc/44/52/18/787445218.db2.gz VGQDPQFYTJRKHH-AWEZNQCLSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)nn3cccnc23)C1 ZINC001073889606 787445222 /nfs/dbraw/zinc/44/52/22/787445222.db2.gz VGQDPQFYTJRKHH-AWEZNQCLSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001073892180 787454507 /nfs/dbraw/zinc/45/45/07/787454507.db2.gz XSNYCWKPFKRSLE-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001073892180 787454510 /nfs/dbraw/zinc/45/45/10/787454510.db2.gz XSNYCWKPFKRSLE-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C[N@@H+](C[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1)[C@H]1CCNC1=O ZINC001073984527 787633993 /nfs/dbraw/zinc/63/39/93/787633993.db2.gz PCXQDNBJCFXTEF-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(O)(CNC(=O)C#CC3CC3)CC2)C1 ZINC001074731021 787718971 /nfs/dbraw/zinc/71/89/71/787718971.db2.gz DUCXHCWZVPVXTN-OAHLLOKOSA-N 1 1 347.459 0.211 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074731342 787722054 /nfs/dbraw/zinc/72/20/54/787722054.db2.gz OBVJLDFZBOIPJI-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001074731365 787722314 /nfs/dbraw/zinc/72/23/14/787722314.db2.gz PDJZXIMKQFVLPN-HZPDHXFCSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCC[N@@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001074106390 787887821 /nfs/dbraw/zinc/88/78/21/787887821.db2.gz VQSGGXZRJOGFKT-AWEZNQCLSA-N 1 1 340.431 0.983 20 30 ECEDMO C#CCC[N@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001074106390 787887832 /nfs/dbraw/zinc/88/78/32/787887832.db2.gz VQSGGXZRJOGFKT-AWEZNQCLSA-N 1 1 340.431 0.983 20 30 ECEDMO C#CCC[N@@H+]1CCn2c(nnc2C2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001074106392 787888342 /nfs/dbraw/zinc/88/83/42/787888342.db2.gz VQSGGXZRJOGFKT-CQSZACIVSA-N 1 1 340.431 0.983 20 30 ECEDMO C#CCC[N@H+]1CCn2c(nnc2C2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001074106392 787888351 /nfs/dbraw/zinc/88/83/51/787888351.db2.gz VQSGGXZRJOGFKT-CQSZACIVSA-N 1 1 340.431 0.983 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N2CCC2)C3)[nH]1 ZINC001072633983 788475216 /nfs/dbraw/zinc/47/52/16/788475216.db2.gz QGIQOVLBLXCBPW-UHFFFAOYSA-N 1 1 327.388 0.267 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001074891807 788498288 /nfs/dbraw/zinc/49/82/88/788498288.db2.gz LFZZSMZCBNPZEM-UKRRQHHQSA-N 1 1 334.420 0.890 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](CCCN1CCCC1=O)C2 ZINC001072711961 788636427 /nfs/dbraw/zinc/63/64/27/788636427.db2.gz FLBPKVWYIGDJSJ-UHFFFAOYSA-N 1 1 329.444 0.947 20 30 ECEDMO Cn1ccc(C[N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)cc1=O ZINC001072716283 788641933 /nfs/dbraw/zinc/64/19/33/788641933.db2.gz MTXKZOZNFHGQLY-UHFFFAOYSA-N 1 1 325.412 0.833 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001074990315 788676751 /nfs/dbraw/zinc/67/67/51/788676751.db2.gz DVVSNQIZLSCZFK-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)[C@H](C)C1 ZINC001074999179 788696985 /nfs/dbraw/zinc/69/69/85/788696985.db2.gz HMURIBPMEXAXQM-TZMCWYRMSA-N 1 1 349.460 0.944 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)NC)C2 ZINC001072747718 788705804 /nfs/dbraw/zinc/70/58/04/788705804.db2.gz NFCRLULDMWVCMN-ZNMIVQPWSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C2)C1 ZINC001072798991 788822302 /nfs/dbraw/zinc/82/23/02/788822302.db2.gz DMILQSIQDHWVIZ-GFCCVEGCSA-N 1 1 339.823 0.811 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C2)C1 ZINC001072798991 788822312 /nfs/dbraw/zinc/82/23/12/788822312.db2.gz DMILQSIQDHWVIZ-GFCCVEGCSA-N 1 1 339.823 0.811 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001075070084 788848050 /nfs/dbraw/zinc/84/80/50/788848050.db2.gz SLQJOZNABRUBMA-HIFRSBDPSA-N 1 1 334.420 0.890 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 ZINC001072924850 789124664 /nfs/dbraw/zinc/12/46/64/789124664.db2.gz XVZNUAMWPGEPOP-UHFFFAOYSA-N 1 1 349.394 0.990 20 30 ECEDMO N#CCN1CCC2(CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C2)C1 ZINC001072984485 789222252 /nfs/dbraw/zinc/22/22/52/789222252.db2.gz BBLHVUHKLCDYRH-UHFFFAOYSA-N 1 1 329.404 0.942 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(=O)N(C)C)C2 ZINC001072999676 789254961 /nfs/dbraw/zinc/25/49/61/789254961.db2.gz KICWZPQHANBHLJ-KFWWJZLASA-N 1 1 335.448 0.589 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CC[C@@H](C)O4)C3)C2)C1=O ZINC001073003613 789262443 /nfs/dbraw/zinc/26/24/43/789262443.db2.gz CWKJEGZTQWPLOT-BZUAXINKSA-N 1 1 347.459 0.875 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001073025513 789295599 /nfs/dbraw/zinc/29/55/99/789295599.db2.gz PFNWCGXULSXZPK-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnccn1 ZINC001075464827 789387844 /nfs/dbraw/zinc/38/78/44/789387844.db2.gz UPHVKPYYQDPQGJ-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnccn1 ZINC001075464827 789387848 /nfs/dbraw/zinc/38/78/48/789387848.db2.gz UPHVKPYYQDPQGJ-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC001073141751 789517873 /nfs/dbraw/zinc/51/78/73/789517873.db2.gz VCCXBPPOPZPOFO-UHFFFAOYSA-N 1 1 336.823 0.839 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC001073141751 789517880 /nfs/dbraw/zinc/51/78/80/789517880.db2.gz VCCXBPPOPZPOFO-UHFFFAOYSA-N 1 1 336.823 0.839 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC2(C1)CC[N@H+](CC(=O)N(C)C)C2 ZINC001073152610 789535798 /nfs/dbraw/zinc/53/57/98/789535798.db2.gz JTGHHGOTAGVOAO-UHFFFAOYSA-N 1 1 339.439 0.833 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)s1 ZINC001075617461 789575358 /nfs/dbraw/zinc/57/53/58/789575358.db2.gz KZHVLTGNZULGIF-NILFDRSVSA-N 1 1 344.440 0.931 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)s1 ZINC001075617461 789575364 /nfs/dbraw/zinc/57/53/64/789575364.db2.gz KZHVLTGNZULGIF-NILFDRSVSA-N 1 1 344.440 0.931 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)c1 ZINC001075658776 789624447 /nfs/dbraw/zinc/62/44/47/789624447.db2.gz SMPXBLPSEJWYHP-SWLSCSKDSA-N 1 1 327.388 0.311 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)c1 ZINC001075658776 789624452 /nfs/dbraw/zinc/62/44/52/789624452.db2.gz SMPXBLPSEJWYHP-SWLSCSKDSA-N 1 1 327.388 0.311 20 30 ECEDMO CCC1(NC(=O)C#CC2CC2)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001069272804 789724905 /nfs/dbraw/zinc/72/49/05/789724905.db2.gz FCJOPIZPKGXWBV-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO CCC1(NC(=O)C#CC2CC2)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001069272804 789724910 /nfs/dbraw/zinc/72/49/10/789724910.db2.gz FCJOPIZPKGXWBV-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001073347357 789749298 /nfs/dbraw/zinc/74/92/98/789749298.db2.gz ONTDIHVGBCKFOO-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)C#CC3CC3)C(C)(C)C2)C1 ZINC001073388995 789780527 /nfs/dbraw/zinc/78/05/27/789780527.db2.gz SSFHTISCDUWTEL-JKSUJKDBSA-N 1 1 347.459 0.474 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)C#CC3CC3)C(C)(C)C2)C1 ZINC001073388995 789780534 /nfs/dbraw/zinc/78/05/34/789780534.db2.gz SSFHTISCDUWTEL-JKSUJKDBSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccccc3-n3cnnn3)C2)C1 ZINC001073417886 789810778 /nfs/dbraw/zinc/81/07/78/789810778.db2.gz AWPUCFLEOQMPDP-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001073425371 789820437 /nfs/dbraw/zinc/82/04/37/789820437.db2.gz QRMNILUMCDVUHL-UHFFFAOYSA-N 1 1 332.404 0.600 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)Cc4ccc[nH]4)C3)C2)C1=O ZINC001073447078 789853453 /nfs/dbraw/zinc/85/34/53/789853453.db2.gz DAPMQXUGNJAIDP-MRXNPFEDSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N3CCOCC3)C2)C1 ZINC001073448816 789855829 /nfs/dbraw/zinc/85/58/29/789855829.db2.gz CISLTWSYEZPHBW-KRWDZBQOSA-N 1 1 331.460 0.655 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069569101 789907010 /nfs/dbraw/zinc/90/70/10/789907010.db2.gz AGTGGAKPGXATAX-CYBMUJFWSA-N 1 1 339.403 0.624 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](Nc3cnc(C#N)cn3)C(C)(C)C2)C1 ZINC001069572207 789907976 /nfs/dbraw/zinc/90/79/76/789907976.db2.gz PCWKNOVHDDCZHH-OCCSQVGLSA-N 1 1 328.420 0.949 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CC(Nc2cnc(C#N)cn2)C1 ZINC001069787080 790033014 /nfs/dbraw/zinc/03/30/14/790033014.db2.gz PEUNFKPKDGYIPI-UHFFFAOYSA-N 1 1 325.376 0.955 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)c2C1 ZINC001069869442 790128909 /nfs/dbraw/zinc/12/89/09/790128909.db2.gz MJFDKYZMZHZHOA-HUUCEWRRSA-N 1 1 345.447 0.793 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)c2C1 ZINC001069869442 790128911 /nfs/dbraw/zinc/12/89/11/790128911.db2.gz MJFDKYZMZHZHOA-HUUCEWRRSA-N 1 1 345.447 0.793 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)[C@@H](n2ccnn2)C1 ZINC001069898312 790165980 /nfs/dbraw/zinc/16/59/80/790165980.db2.gz HMLMMMKVYKGOAC-QLFBSQMISA-N 1 1 335.408 0.001 20 30 ECEDMO C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907893 790176437 /nfs/dbraw/zinc/17/64/37/790176437.db2.gz UYRVQHIWKHUBAK-DFBGVHRSSA-N 1 1 345.382 0.881 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2n2ccnn2)[nH]1 ZINC001069908579 790176868 /nfs/dbraw/zinc/17/68/68/790176868.db2.gz DMSQKYZUAUZUMR-CVEARBPZSA-N 1 1 339.403 0.933 20 30 ECEDMO C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911705 790181057 /nfs/dbraw/zinc/18/10/57/790181057.db2.gz JVAAKGOWXPVIEM-DFBGVHRSSA-N 1 1 345.382 0.881 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069918216 790188578 /nfs/dbraw/zinc/18/85/78/790188578.db2.gz FEWMRZJWWUJRJN-CABCVRRESA-N 1 1 329.408 0.172 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H](n2ccnn2)C1 ZINC001069928375 790200274 /nfs/dbraw/zinc/20/02/74/790200274.db2.gz BVXDMXVRDJEXTF-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H](n2ccnn2)C1 ZINC001069928375 790200277 /nfs/dbraw/zinc/20/02/77/790200277.db2.gz BVXDMXVRDJEXTF-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)nn2C)[C@@H](n2ccnn2)C1 ZINC001069938006 790212507 /nfs/dbraw/zinc/21/25/07/790212507.db2.gz ZATCWAOCWGICMG-ZBFHGGJFSA-N 1 1 341.419 0.730 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)nn2C)[C@@H](n2ccnn2)C1 ZINC001069938006 790212511 /nfs/dbraw/zinc/21/25/11/790212511.db2.gz ZATCWAOCWGICMG-ZBFHGGJFSA-N 1 1 341.419 0.730 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@@H](n2ccnn2)C1 ZINC001069944478 790221624 /nfs/dbraw/zinc/22/16/24/790221624.db2.gz RNCBUWZHQVKBIT-CVEARBPZSA-N 1 1 342.403 0.520 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@@H](n2ccnn2)C1 ZINC001069944478 790221627 /nfs/dbraw/zinc/22/16/27/790221627.db2.gz RNCBUWZHQVKBIT-CVEARBPZSA-N 1 1 342.403 0.520 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H](n2ccnn2)C1 ZINC001069955958 790237783 /nfs/dbraw/zinc/23/77/83/790237783.db2.gz VMFPTHOSXYRXJG-SJORKVTESA-N 1 1 349.398 0.833 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H](n2ccnn2)C1 ZINC001069955958 790237789 /nfs/dbraw/zinc/23/77/89/790237789.db2.gz VMFPTHOSXYRXJG-SJORKVTESA-N 1 1 349.398 0.833 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001068840243 791238968 /nfs/dbraw/zinc/23/89/68/791238968.db2.gz XKCVZPDPIAMBHE-OAHLLOKOSA-N 1 1 335.448 0.618 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001068854288 791269264 /nfs/dbraw/zinc/26/92/64/791269264.db2.gz AJGMOQQZTNYMNU-CABCVRRESA-N 1 1 333.432 0.226 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC(C)C)CO2 ZINC001068858832 791279550 /nfs/dbraw/zinc/27/95/50/791279550.db2.gz KHZCAIJCXGSREC-INIZCTEOSA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)C[C@@H](NC(=O)C#CC2CC2)CO3)C1 ZINC001068863271 791295076 /nfs/dbraw/zinc/29/50/76/791295076.db2.gz STAXYVFYICJIPK-GDBMZVCRSA-N 1 1 345.443 0.228 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001068863295 791295910 /nfs/dbraw/zinc/29/59/10/791295910.db2.gz TXYJEYQPIZCIFZ-HUUCEWRRSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(C(=O)CCC=C)C2)C1 ZINC001068910397 791398493 /nfs/dbraw/zinc/39/84/93/791398493.db2.gz JNVPUOLQSWOKIA-CVEARBPZSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(C(=O)CCC=C)C2)C1 ZINC001068910397 791398498 /nfs/dbraw/zinc/39/84/98/791398498.db2.gz JNVPUOLQSWOKIA-CVEARBPZSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001068917407 791415456 /nfs/dbraw/zinc/41/54/56/791415456.db2.gz WSQWCAZJMJCZGM-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001068924548 791431993 /nfs/dbraw/zinc/43/19/93/791431993.db2.gz NNGYRLSZJWZEOB-HNNXBMFYSA-N 1 1 344.415 0.481 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001068940251 791467917 /nfs/dbraw/zinc/46/79/17/791467917.db2.gz LPVAZAQMGCGAKS-KGLIPLIRSA-N 1 1 336.436 0.364 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@H]1COC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001069004725 791578242 /nfs/dbraw/zinc/57/82/42/791578242.db2.gz YYCGBNCNDRSKPM-CHWSQXEVSA-N 1 1 334.420 0.116 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)C[C@H]1C ZINC001069107197 791706666 /nfs/dbraw/zinc/70/66/66/791706666.db2.gz LYDOVALVCZVJDD-YPMHNXCESA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2cnc(C#N)cn2)C[C@H]1C ZINC001069107193 791707073 /nfs/dbraw/zinc/70/70/73/791707073.db2.gz LYDOVALVCZVJDD-DGCLKSJQSA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119039 791720225 /nfs/dbraw/zinc/72/02/25/791720225.db2.gz MYXALDFSRKZBDP-ZIAGYGMSSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001066675170 791965968 /nfs/dbraw/zinc/96/59/68/791965968.db2.gz CTYDBMBODUDEIB-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO CO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066698927 792019606 /nfs/dbraw/zinc/01/96/06/792019606.db2.gz PONCMNSTWPXZSD-GDBMZVCRSA-N 1 1 343.431 0.711 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)CC1 ZINC001066730352 792055212 /nfs/dbraw/zinc/05/52/12/792055212.db2.gz WSFYMOPYFOTTLN-ZIAGYGMSSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(Nc2cncc(C#N)n2)C1 ZINC001066891234 792294988 /nfs/dbraw/zinc/29/49/88/792294988.db2.gz XOZAWEFHXOPXMW-RHSMWYFYSA-N 1 1 344.419 0.208 20 30 ECEDMO Cc1cc(NCC2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001067838462 792349436 /nfs/dbraw/zinc/34/94/36/792349436.db2.gz ISJQCAQBHXPCMC-PUJMQQBBSA-N 1 1 343.431 0.321 20 30 ECEDMO Cc1cc(NCC2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001067838462 792349449 /nfs/dbraw/zinc/34/94/49/792349449.db2.gz ISJQCAQBHXPCMC-PUJMQQBBSA-N 1 1 343.431 0.321 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC[C@H]1C ZINC001067980209 792537549 /nfs/dbraw/zinc/53/75/49/792537549.db2.gz LOYJNAXWQLIBEN-TZMCWYRMSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2nccnc2C#N)CC[C@H]1C ZINC001067981250 792540340 /nfs/dbraw/zinc/54/03/40/792540340.db2.gz XPBHLKHBAKZLTO-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001067000874 792543180 /nfs/dbraw/zinc/54/31/80/792543180.db2.gz CYXMYZIFQXAJBW-HNNXBMFYSA-N 1 1 325.453 0.838 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001067010471 792570828 /nfs/dbraw/zinc/57/08/28/792570828.db2.gz MRSWPPMNKZVZND-PMPSAXMXSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@H]1CCOC1 ZINC001067063931 792648422 /nfs/dbraw/zinc/64/84/22/792648422.db2.gz FUBRAQJOAXRLJM-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@H]1CCOC1 ZINC001067063931 792648430 /nfs/dbraw/zinc/64/84/30/792648430.db2.gz FUBRAQJOAXRLJM-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2C#N)CC1(C)C ZINC001068098777 792667826 /nfs/dbraw/zinc/66/78/26/792667826.db2.gz JHMSMARRHAVABG-UONOGXRCSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC1(C)C ZINC001068098595 792668144 /nfs/dbraw/zinc/66/81/44/792668144.db2.gz DVAZFKRAMRASLC-CHWSQXEVSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3ccncc3C#N)CC2(C)C)C1 ZINC001068102146 792673413 /nfs/dbraw/zinc/67/34/13/792673413.db2.gz IMFTVAMNSLYMJL-CVEARBPZSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3ccncc3C#N)CC2(C)C)C1 ZINC001068102146 792673420 /nfs/dbraw/zinc/67/34/20/792673420.db2.gz IMFTVAMNSLYMJL-CVEARBPZSA-N 1 1 343.431 0.615 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001067081410 792678398 /nfs/dbraw/zinc/67/83/98/792678398.db2.gz NLOCCVBFOVEKDT-LSDHHAIUSA-N 1 1 341.452 0.215 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001067081410 792678405 /nfs/dbraw/zinc/67/84/05/792678405.db2.gz NLOCCVBFOVEKDT-LSDHHAIUSA-N 1 1 341.452 0.215 20 30 ECEDMO CC#CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001067081903 792679813 /nfs/dbraw/zinc/67/98/13/792679813.db2.gz YUIKUIUVVBTQFC-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO CC#CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001067081903 792679820 /nfs/dbraw/zinc/67/98/20/792679820.db2.gz YUIKUIUVVBTQFC-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001068356902 793118290 /nfs/dbraw/zinc/11/82/90/793118290.db2.gz JVKOVKGOMFZRHQ-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001068357273 793119712 /nfs/dbraw/zinc/11/97/12/793119712.db2.gz VXMZODAZBSHLFS-OAHLLOKOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001067426973 793139552 /nfs/dbraw/zinc/13/95/52/793139552.db2.gz CXLLMCVYRVKUOO-MRXNPFEDSA-N 1 1 337.464 0.675 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001067427612 793141896 /nfs/dbraw/zinc/14/18/96/793141896.db2.gz LFZPYXDZKVUJEZ-HZPDHXFCSA-N 1 1 337.464 0.531 20 30 ECEDMO C[C@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001068380384 793157748 /nfs/dbraw/zinc/15/77/48/793157748.db2.gz GMSQVUYVHNEFQQ-UONOGXRCSA-N 1 1 342.447 0.903 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001068389722 793184730 /nfs/dbraw/zinc/18/47/30/793184730.db2.gz PLVWHGODXFPJCD-UHFFFAOYSA-N 1 1 344.415 0.435 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001267458983 837446025 /nfs/dbraw/zinc/44/60/25/837446025.db2.gz FVNMUCXUKJTWMU-RHSMWYFYSA-N 1 1 325.453 0.763 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001267458983 837446031 /nfs/dbraw/zinc/44/60/31/837446031.db2.gz FVNMUCXUKJTWMU-RHSMWYFYSA-N 1 1 325.453 0.763 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001267459830 837447649 /nfs/dbraw/zinc/44/76/49/837447649.db2.gz NTNWMNPFGZYTGJ-KGLIPLIRSA-N 1 1 331.482 0.813 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001267491002 837556872 /nfs/dbraw/zinc/55/68/72/837556872.db2.gz YBRZESQYFOEQHN-YPMHNXCESA-N 1 1 348.451 0.634 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1cnc2n1CCC2)C(C)C ZINC001267503729 837582322 /nfs/dbraw/zinc/58/23/22/837582322.db2.gz XJDDBKUCCJPRTJ-UHFFFAOYSA-N 1 1 345.447 0.409 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cccn2C)C1 ZINC001267509031 837598238 /nfs/dbraw/zinc/59/82/38/837598238.db2.gz PHRTWSDZFZWVPJ-GJZGRUSLSA-N 1 1 330.432 0.605 20 30 ECEDMO C[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)n1cccc1 ZINC001267523778 837683172 /nfs/dbraw/zinc/68/31/72/837683172.db2.gz MLZUIUMILZZXRE-CABCVRRESA-N 1 1 331.420 0.517 20 30 ECEDMO CCn1ccc(C[NH2+]CCN(CCO)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001279695451 837694717 /nfs/dbraw/zinc/69/47/17/837694717.db2.gz PODVEGSUHNFBGK-UHFFFAOYSA-N 1 1 330.392 0.327 20 30 ECEDMO CC[C@@]1(C(=O)NCC[C@@H]2CC[N@@H+](CC#CCOC)C2)CCNC1=O ZINC001267536368 837715846 /nfs/dbraw/zinc/71/58/46/837715846.db2.gz RMPNNRMWOROEIX-QAPCUYQASA-N 1 1 335.448 0.381 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001267541843 837729431 /nfs/dbraw/zinc/72/94/31/837729431.db2.gz JLCHRULVCGBZGZ-KGLIPLIRSA-N 1 1 329.466 0.260 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001267541843 837729436 /nfs/dbraw/zinc/72/94/36/837729436.db2.gz JLCHRULVCGBZGZ-KGLIPLIRSA-N 1 1 329.466 0.260 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CCC)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267542262 837730380 /nfs/dbraw/zinc/73/03/80/837730380.db2.gz SKZLBTQRFKDMRE-HOCLYGCPSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CCC)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001267542262 837730387 /nfs/dbraw/zinc/73/03/87/837730387.db2.gz SKZLBTQRFKDMRE-HOCLYGCPSA-N 1 1 335.448 0.616 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001267544135 837732510 /nfs/dbraw/zinc/73/25/10/837732510.db2.gz JEBQDGJTRAWSQF-IRXDYDNUSA-N 1 1 344.459 0.924 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)Cc2[nH]cnc2C)C1 ZINC001267548270 837744313 /nfs/dbraw/zinc/74/43/13/837744313.db2.gz BVTGVUAVJPUBGU-HNNXBMFYSA-N 1 1 345.447 0.323 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2[nH]cnc2C)C1 ZINC001267548270 837744319 /nfs/dbraw/zinc/74/43/19/837744319.db2.gz BVTGVUAVJPUBGU-HNNXBMFYSA-N 1 1 345.447 0.323 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001267552895 837754537 /nfs/dbraw/zinc/75/45/37/837754537.db2.gz WSSVOXDGCGEWRE-CQSZACIVSA-N 1 1 347.415 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CCNC(=O)Cc3ccon3)C2)C1=O ZINC001267553711 837756515 /nfs/dbraw/zinc/75/65/15/837756515.db2.gz ACPAYWFHOZNVSX-GDBMZVCRSA-N 1 1 346.431 0.832 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cc(C)ncn2)C1 ZINC001267554171 837759332 /nfs/dbraw/zinc/75/93/32/837759332.db2.gz QRLDODAJJWKSRW-GJZGRUSLSA-N 1 1 345.447 0.918 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C2CCC(O)CC2)C1 ZINC001267554779 837760905 /nfs/dbraw/zinc/76/09/05/837760905.db2.gz BYFRRKKMMCXITE-WLYUNCDWSA-N 1 1 336.436 0.005 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC001267555508 837762365 /nfs/dbraw/zinc/76/23/65/837762365.db2.gz HCJUEYZLCQIUED-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001267560202 837769834 /nfs/dbraw/zinc/76/98/34/837769834.db2.gz HWKWVWMYWFUISJ-OAGGEKHMSA-N 1 1 335.448 0.651 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccnnc2C)C1 ZINC001267560722 837771576 /nfs/dbraw/zinc/77/15/76/837771576.db2.gz MCONAFRANZMNNY-HUUCEWRRSA-N 1 1 343.431 0.365 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001267561893 837773057 /nfs/dbraw/zinc/77/30/57/837773057.db2.gz RQKCAERHRBSCES-DOTOQJQBSA-N 1 1 325.412 0.998 20 30 ECEDMO COc1ncccc1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267563756 837777804 /nfs/dbraw/zinc/77/78/04/837777804.db2.gz FLKXKHHAXTXGNV-CYBMUJFWSA-N 1 1 345.403 0.172 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H]2CC[N@@H+](Cc3cnn(C)n3)C2)c1 ZINC001267565470 837781660 /nfs/dbraw/zinc/78/16/60/837781660.db2.gz NLXWERMGGNRDJQ-HNNXBMFYSA-N 1 1 338.415 0.833 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H]2CC[N@H+](Cc3cnn(C)n3)C2)c1 ZINC001267565470 837781668 /nfs/dbraw/zinc/78/16/68/837781668.db2.gz NLXWERMGGNRDJQ-HNNXBMFYSA-N 1 1 338.415 0.833 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccn(C)c2C)C1 ZINC001267565349 837781856 /nfs/dbraw/zinc/78/18/56/837781856.db2.gz LLJHIGJSNQZHGE-HOTGVXAUSA-N 1 1 344.459 0.913 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[C@H](C)n2ccnc2)C1 ZINC001267567782 837788602 /nfs/dbraw/zinc/78/86/02/837788602.db2.gz OWVDIUPBQCVBKK-HOTGVXAUSA-N 1 1 345.447 0.412 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc(Cl)cn2)C1 ZINC001267568253 837790173 /nfs/dbraw/zinc/79/01/73/837790173.db2.gz VIRBPLNRBNUNHY-LBPRGKRZSA-N 1 1 349.822 0.817 20 30 ECEDMO CCCN1C[C@H](C(=O)NCC[C@H]2CC[N@@H+](CC#CCOC)C2)CC1=O ZINC001267568658 837791732 /nfs/dbraw/zinc/79/17/32/837791732.db2.gz WICWWAMGDRXVFO-DLBZAZTESA-N 1 1 349.475 0.723 20 30 ECEDMO C=C1CC(C)(C(=O)NCC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC(N)=O)C2)C1 ZINC001267570312 837800805 /nfs/dbraw/zinc/80/08/05/837800805.db2.gz MKMSOUOROJTFKI-CHWSQXEVSA-N 1 1 336.436 0.754 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267571814 837805491 /nfs/dbraw/zinc/80/54/91/837805491.db2.gz UAZICKVKAAXVAC-NEPJUHHUSA-N 1 1 327.812 0.620 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001267576976 837833192 /nfs/dbraw/zinc/83/31/92/837833192.db2.gz CLXLZPDUUONGCI-ZIAGYGMSSA-N 1 1 329.404 0.008 20 30 ECEDMO Cc1nccc(C(=O)NCCC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)n1 ZINC001266244576 835549569 /nfs/dbraw/zinc/54/95/69/835549569.db2.gz RYLXLOAUAYYGRD-CQSZACIVSA-N 1 1 344.419 0.399 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)C[C@@H]1CCCS(=O)(=O)C1 ZINC001266271628 835593924 /nfs/dbraw/zinc/59/39/24/835593924.db2.gz LSEBAKPPSDNWGD-ZFWWWQNUSA-N 1 1 332.466 0.186 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)C[C@@H]1CCCS(=O)(=O)C1 ZINC001266271628 835593927 /nfs/dbraw/zinc/59/39/27/835593927.db2.gz LSEBAKPPSDNWGD-ZFWWWQNUSA-N 1 1 332.466 0.186 20 30 ECEDMO C#CCOCCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC001266275293 835598609 /nfs/dbraw/zinc/59/86/09/835598609.db2.gz UIOHFCLJMGNNFV-MRXNPFEDSA-N 1 1 337.464 0.865 20 30 ECEDMO C#CCOCCC(=O)NCC[N@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC001266275293 835598616 /nfs/dbraw/zinc/59/86/16/835598616.db2.gz UIOHFCLJMGNNFV-MRXNPFEDSA-N 1 1 337.464 0.865 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC001266280481 835608067 /nfs/dbraw/zinc/60/80/67/835608067.db2.gz GXBHGQKAWHNOSK-CYBMUJFWSA-N 1 1 336.440 0.229 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cn(-c3ccccc3)nn2)CC1 ZINC001266287947 835630141 /nfs/dbraw/zinc/63/01/41/835630141.db2.gz LVVYCTURWHARGM-UHFFFAOYSA-N 1 1 338.415 0.248 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2cc(C(F)(F)F)n[nH]2)CC1 ZINC001266294706 835640879 /nfs/dbraw/zinc/64/08/79/835640879.db2.gz IEEZWONSTMXVPE-UHFFFAOYSA-N 1 1 343.353 0.799 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)C2(NC(N)=O)CCCCC2)CC1 ZINC001266295015 835641577 /nfs/dbraw/zinc/64/15/77/835641577.db2.gz SWXBJLRXWPUHSB-UHFFFAOYSA-N 1 1 349.479 0.115 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CCc1nc(C)cs1 ZINC001266297070 835645540 /nfs/dbraw/zinc/64/55/40/835645540.db2.gz HWJHKAONSVOIQM-ZDUSSCGKSA-N 1 1 336.461 0.570 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CCc1nc(C)cs1 ZINC001266297070 835645545 /nfs/dbraw/zinc/64/55/45/835645545.db2.gz HWJHKAONSVOIQM-ZDUSSCGKSA-N 1 1 336.461 0.570 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1occ2c1CCOC2 ZINC001266304145 835667782 /nfs/dbraw/zinc/66/77/82/835667782.db2.gz KEXVEABGYJQNBX-LBPRGKRZSA-N 1 1 335.404 0.705 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1occ2c1CCOC2 ZINC001266304145 835667788 /nfs/dbraw/zinc/66/77/88/835667788.db2.gz KEXVEABGYJQNBX-LBPRGKRZSA-N 1 1 335.404 0.705 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001266305173 835668841 /nfs/dbraw/zinc/66/88/41/835668841.db2.gz LKXXQGPBDPCEAT-MRXNPFEDSA-N 1 1 347.463 0.807 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001266305173 835668844 /nfs/dbraw/zinc/66/88/44/835668844.db2.gz LKXXQGPBDPCEAT-MRXNPFEDSA-N 1 1 347.463 0.807 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001266319615 835689058 /nfs/dbraw/zinc/68/90/58/835689058.db2.gz OKJNFUYFRHYEAD-ZDUSSCGKSA-N 1 1 334.420 0.167 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001266319615 835689063 /nfs/dbraw/zinc/68/90/63/835689063.db2.gz OKJNFUYFRHYEAD-ZDUSSCGKSA-N 1 1 334.420 0.167 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001266338145 835722355 /nfs/dbraw/zinc/72/23/55/835722355.db2.gz XYQQXSGEZVZORW-VIFPVBQESA-N 1 1 347.341 0.781 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001266338145 835722357 /nfs/dbraw/zinc/72/23/57/835722357.db2.gz XYQQXSGEZVZORW-VIFPVBQESA-N 1 1 347.341 0.781 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001266341268 835726991 /nfs/dbraw/zinc/72/69/91/835726991.db2.gz DEPWTLMQCJMBAM-HNNXBMFYSA-N 1 1 339.399 0.721 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001266341268 835727000 /nfs/dbraw/zinc/72/70/00/835727000.db2.gz DEPWTLMQCJMBAM-HNNXBMFYSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345750 835735202 /nfs/dbraw/zinc/73/52/02/835735202.db2.gz XXWHQCNFVXQUPW-HIFRSBDPSA-N 1 1 343.431 0.090 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345750 835735213 /nfs/dbraw/zinc/73/52/13/835735213.db2.gz XXWHQCNFVXQUPW-HIFRSBDPSA-N 1 1 343.431 0.090 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H](C)Oc2ccccn2)C1=O ZINC001266350975 835748560 /nfs/dbraw/zinc/74/85/60/835748560.db2.gz WSWQCZIZFRBDBU-HUUCEWRRSA-N 1 1 346.431 0.684 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H](C)Oc2ccccn2)C1=O ZINC001266350975 835748571 /nfs/dbraw/zinc/74/85/71/835748571.db2.gz WSWQCZIZFRBDBU-HUUCEWRRSA-N 1 1 346.431 0.684 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001266363003 835773259 /nfs/dbraw/zinc/77/32/59/835773259.db2.gz BLYOXJYMLHUGMQ-CZUORRHYSA-N 1 1 332.448 0.981 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001266363003 835773264 /nfs/dbraw/zinc/77/32/64/835773264.db2.gz BLYOXJYMLHUGMQ-CZUORRHYSA-N 1 1 332.448 0.981 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001266367832 835779615 /nfs/dbraw/zinc/77/96/15/835779615.db2.gz NMXRZFQQNCKIKA-LLVKDONJSA-N 1 1 346.387 0.886 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001266367832 835779625 /nfs/dbraw/zinc/77/96/25/835779625.db2.gz NMXRZFQQNCKIKA-LLVKDONJSA-N 1 1 346.387 0.886 20 30 ECEDMO CC[N@H+](CCNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)CC(=O)NCC#N ZINC001266419986 835825346 /nfs/dbraw/zinc/82/53/46/835825346.db2.gz BSLXDPUWZUWTCW-CGTJXYLNSA-N 1 1 340.427 0.650 20 30 ECEDMO CC[N@@H+](CCNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)CC(=O)NCC#N ZINC001266419986 835825357 /nfs/dbraw/zinc/82/53/57/835825357.db2.gz BSLXDPUWZUWTCW-CGTJXYLNSA-N 1 1 340.427 0.650 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1ncoc1C(C)(C)C ZINC001266428061 835831707 /nfs/dbraw/zinc/83/17/07/835831707.db2.gz KCOZCGGBALTQMX-UHFFFAOYSA-N 1 1 334.420 0.773 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ncoc1C(C)(C)C ZINC001266428061 835831716 /nfs/dbraw/zinc/83/17/16/835831716.db2.gz KCOZCGGBALTQMX-UHFFFAOYSA-N 1 1 334.420 0.773 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)C1 ZINC001266452969 835855755 /nfs/dbraw/zinc/85/57/55/835855755.db2.gz VFFITQKCGGPZQD-CYBMUJFWSA-N 1 1 341.402 0.952 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCN(C2CCC2)C1=O ZINC001266453596 835856046 /nfs/dbraw/zinc/85/60/46/835856046.db2.gz IOGIZPFAASMMCX-HOTGVXAUSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCN(C2CCC2)C1=O ZINC001266453596 835856051 /nfs/dbraw/zinc/85/60/51/835856051.db2.gz IOGIZPFAASMMCX-HOTGVXAUSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001266455377 835857185 /nfs/dbraw/zinc/85/71/85/835857185.db2.gz CKXBUAOQLFRYAA-CQSZACIVSA-N 1 1 343.431 0.973 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001266456159 835859030 /nfs/dbraw/zinc/85/90/30/835859030.db2.gz RFDMBTNTKHVSLG-KGLIPLIRSA-N 1 1 333.436 0.884 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN(C(=O)C2(C(F)F)CC2)C1 ZINC001266456009 835859050 /nfs/dbraw/zinc/85/90/50/835859050.db2.gz PANCUODHRCXCNR-LBPRGKRZSA-N 1 1 342.390 0.842 20 30 ECEDMO C#CCCCCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266457879 835860704 /nfs/dbraw/zinc/86/07/04/835860704.db2.gz ODYYTRUBBMHYBN-OAHLLOKOSA-N 1 1 348.447 0.749 20 30 ECEDMO C#CCCCCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266457879 835860711 /nfs/dbraw/zinc/86/07/11/835860711.db2.gz ODYYTRUBBMHYBN-OAHLLOKOSA-N 1 1 348.447 0.749 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001266458858 835861739 /nfs/dbraw/zinc/86/17/39/835861739.db2.gz DWLOZJSMGSXTEA-HNNXBMFYSA-N 1 1 335.452 0.718 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001266464342 835866060 /nfs/dbraw/zinc/86/60/60/835866060.db2.gz YLLLIRBSZCAYHO-OAHLLOKOSA-N 1 1 341.477 0.216 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 ZINC001266469447 835871256 /nfs/dbraw/zinc/87/12/56/835871256.db2.gz LRWABIUKYWZTQW-MRXNPFEDSA-N 1 1 345.447 0.262 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001266469207 835871328 /nfs/dbraw/zinc/87/13/28/835871328.db2.gz GTMLGMUYOXXJCN-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccnnc1C ZINC001266471491 835873983 /nfs/dbraw/zinc/87/39/83/835873983.db2.gz PZTPUKPFAFRLKX-KGLIPLIRSA-N 1 1 331.420 0.670 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccnnc1C ZINC001266471491 835873988 /nfs/dbraw/zinc/87/39/88/835873988.db2.gz PZTPUKPFAFRLKX-KGLIPLIRSA-N 1 1 331.420 0.670 20 30 ECEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001266473361 835875888 /nfs/dbraw/zinc/87/58/88/835875888.db2.gz ZQHGIGHFOAIJMO-ZBFHGGJFSA-N 1 1 343.493 0.815 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](C[N@H+](C)CC(=O)NCC)C2)cn1 ZINC001266472602 835876037 /nfs/dbraw/zinc/87/60/37/835876037.db2.gz NLAQGAFQBDCDKC-HNNXBMFYSA-N 1 1 342.443 0.983 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC001266482523 835883376 /nfs/dbraw/zinc/88/33/76/835883376.db2.gz CVTWLFDYVBTGKN-HUUCEWRRSA-N 1 1 345.447 0.544 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC001266482523 835883379 /nfs/dbraw/zinc/88/33/79/835883379.db2.gz CVTWLFDYVBTGKN-HUUCEWRRSA-N 1 1 345.447 0.544 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001266488077 835887774 /nfs/dbraw/zinc/88/77/74/835887774.db2.gz BRJARGKEXDZBQS-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC ZINC001266492304 835891309 /nfs/dbraw/zinc/89/13/09/835891309.db2.gz MSXDADSYQGMRGD-WMLDXEAASA-N 1 1 327.428 0.926 20 30 ECEDMO N#CCSCC(=O)NC[C@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001266500883 835901955 /nfs/dbraw/zinc/90/19/55/835901955.db2.gz XVQJAVXSWDVXAA-CHWSQXEVSA-N 1 1 334.449 0.460 20 30 ECEDMO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H](CNC(=O)C#CC2CC2)C1 ZINC001266511962 835920610 /nfs/dbraw/zinc/92/06/10/835920610.db2.gz VLESPCAGJVCWNZ-UKRRQHHQSA-N 1 1 341.415 0.655 20 30 ECEDMO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H](CNC(=O)C#CC2CC2)C1 ZINC001266511962 835920613 /nfs/dbraw/zinc/92/06/13/835920613.db2.gz VLESPCAGJVCWNZ-UKRRQHHQSA-N 1 1 341.415 0.655 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001266513770 835924978 /nfs/dbraw/zinc/92/49/78/835924978.db2.gz GNKAUUFMAUOKNZ-LSDHHAIUSA-N 1 1 340.489 0.909 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001266514670 835925572 /nfs/dbraw/zinc/92/55/72/835925572.db2.gz UJUMOHVKHQPSIV-HYVNUMGLSA-N 1 1 340.427 0.373 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001266518341 835930758 /nfs/dbraw/zinc/93/07/58/835930758.db2.gz YZWSTBWIAZSUCV-UONOGXRCSA-N 1 1 345.447 0.572 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC001266520696 835934356 /nfs/dbraw/zinc/93/43/56/835934356.db2.gz RGETWTVAXFSBLX-KGLIPLIRSA-N 1 1 331.420 0.527 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001266523060 835937787 /nfs/dbraw/zinc/93/77/87/835937787.db2.gz FXSCRMMNZKLQKQ-ZDUSSCGKSA-N 1 1 347.419 0.020 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001266528224 835944716 /nfs/dbraw/zinc/94/47/16/835944716.db2.gz LTIKPEISFYJKEN-GFCCVEGCSA-N 1 1 344.390 0.901 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001266528224 835944722 /nfs/dbraw/zinc/94/47/22/835944722.db2.gz LTIKPEISFYJKEN-GFCCVEGCSA-N 1 1 344.390 0.901 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)COc2ccccc2)C1 ZINC001266544753 835966249 /nfs/dbraw/zinc/96/62/49/835966249.db2.gz IGTZWCMVXNQLHW-HNNXBMFYSA-N 1 1 329.400 0.253 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001266549558 835973401 /nfs/dbraw/zinc/97/34/01/835973401.db2.gz YAGARSDVHREYQY-CABCVRRESA-N 1 1 347.463 0.698 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)c1cncnc1C ZINC001266556790 835984268 /nfs/dbraw/zinc/98/42/68/835984268.db2.gz YQFAYPBFQHNDET-AWEZNQCLSA-N 1 1 331.420 0.365 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1ccncc1Cl ZINC001266573380 836004659 /nfs/dbraw/zinc/00/46/59/836004659.db2.gz RVEGYYGPJVKDOM-UHFFFAOYSA-N 1 1 336.823 0.926 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1ccncc1Cl ZINC001266573380 836004670 /nfs/dbraw/zinc/00/46/70/836004670.db2.gz RVEGYYGPJVKDOM-UHFFFAOYSA-N 1 1 336.823 0.926 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCNC(=O)c2cnsn2)C2CC2)C1=O ZINC001266583975 836014607 /nfs/dbraw/zinc/01/46/07/836014607.db2.gz PWLZTHZPMUJXFW-ZDUSSCGKSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCNC(=O)c2cnsn2)C2CC2)C1=O ZINC001266583975 836014622 /nfs/dbraw/zinc/01/46/22/836014622.db2.gz PWLZTHZPMUJXFW-ZDUSSCGKSA-N 1 1 335.433 0.519 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1c(Cl)cnn1C)C1CC1 ZINC001266592692 836022949 /nfs/dbraw/zinc/02/29/49/836022949.db2.gz YBTDZQPGRUNSLV-UHFFFAOYSA-N 1 1 337.811 0.017 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1c(Cl)cnn1C)C1CC1 ZINC001266592692 836022957 /nfs/dbraw/zinc/02/29/57/836022957.db2.gz YBTDZQPGRUNSLV-UHFFFAOYSA-N 1 1 337.811 0.017 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c(=O)cn2)C1 ZINC001266659143 836096614 /nfs/dbraw/zinc/09/66/14/836096614.db2.gz NCCUYWCIMPYDGW-GDBMZVCRSA-N 1 1 344.415 0.346 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2=CCOCC2)C1 ZINC001266660331 836098297 /nfs/dbraw/zinc/09/82/97/836098297.db2.gz WJDAZBTUMHJLNI-DLBZAZTESA-N 1 1 347.459 0.948 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccco2)C1 ZINC001266737611 836221484 /nfs/dbraw/zinc/22/14/84/836221484.db2.gz ZGHGWGXTYMHXPX-GJBLVYBDSA-N 1 1 330.388 0.761 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccco2)C1 ZINC001266737611 836221495 /nfs/dbraw/zinc/22/14/95/836221495.db2.gz ZGHGWGXTYMHXPX-GJBLVYBDSA-N 1 1 330.388 0.761 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001266749145 836236944 /nfs/dbraw/zinc/23/69/44/836236944.db2.gz FCJGFODMKOJRRL-ZDUSSCGKSA-N 1 1 334.424 0.171 20 30 ECEDMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C#CC(C)C)C1 ZINC001266749872 836239391 /nfs/dbraw/zinc/23/93/91/836239391.db2.gz NHRYTWCJSLJGNX-UONOGXRCSA-N 1 1 336.436 0.318 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266752519 836245756 /nfs/dbraw/zinc/24/57/56/836245756.db2.gz SXNMTPOTPWYQJH-OAHLLOKOSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266752519 836245769 /nfs/dbraw/zinc/24/57/69/836245769.db2.gz SXNMTPOTPWYQJH-OAHLLOKOSA-N 1 1 336.480 0.601 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)cc1 ZINC001266758639 836255393 /nfs/dbraw/zinc/25/53/93/836255393.db2.gz XCOTWDPQJPQXPO-INIZCTEOSA-N 1 1 338.411 0.749 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)cc1 ZINC001266758639 836255406 /nfs/dbraw/zinc/25/54/06/836255406.db2.gz XCOTWDPQJPQXPO-INIZCTEOSA-N 1 1 338.411 0.749 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001266758258 836255689 /nfs/dbraw/zinc/25/56/89/836255689.db2.gz PNHQEUMTNGQNFF-DMRKSPOLSA-N 1 1 331.460 0.999 20 30 ECEDMO CC(C)n1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001266765142 836270322 /nfs/dbraw/zinc/27/03/22/836270322.db2.gz ZSZLNAWWMWWPJI-AWEZNQCLSA-N 1 1 346.435 0.546 20 30 ECEDMO CC(C)n1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001266765142 836270332 /nfs/dbraw/zinc/27/03/32/836270332.db2.gz ZSZLNAWWMWWPJI-AWEZNQCLSA-N 1 1 346.435 0.546 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001266765080 836270606 /nfs/dbraw/zinc/27/06/06/836270606.db2.gz YPYYOGOJZIEEIJ-ZDUSSCGKSA-N 1 1 331.482 0.719 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001266804085 836327067 /nfs/dbraw/zinc/32/70/67/836327067.db2.gz AYQYZHXNCSMKGM-CHWSQXEVSA-N 1 1 349.435 0.258 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC1CC1 ZINC001266839594 836361544 /nfs/dbraw/zinc/36/15/44/836361544.db2.gz DQPRHJVUKICLAZ-YJBOKZPZSA-N 1 1 337.464 0.810 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC1CC1 ZINC001266839594 836361551 /nfs/dbraw/zinc/36/15/51/836361551.db2.gz DQPRHJVUKICLAZ-YJBOKZPZSA-N 1 1 337.464 0.810 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CCc1ccnn1C ZINC001266843026 836369574 /nfs/dbraw/zinc/36/95/74/836369574.db2.gz ZFLBIXGSCMVABI-NVXWUHKLSA-N 1 1 332.448 0.972 20 30 ECEDMO Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)cnn1C ZINC001266889249 836437964 /nfs/dbraw/zinc/43/79/64/836437964.db2.gz JCYHRPGPXWFESD-GXTWGEPZSA-N 1 1 346.435 0.199 20 30 ECEDMO Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)cnn1C ZINC001266889249 836437969 /nfs/dbraw/zinc/43/79/69/836437969.db2.gz JCYHRPGPXWFESD-GXTWGEPZSA-N 1 1 346.435 0.199 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001266892112 836439880 /nfs/dbraw/zinc/43/98/80/836439880.db2.gz SYGCNQXTUXJFDF-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001266895444 836446818 /nfs/dbraw/zinc/44/68/18/836446818.db2.gz OGAMVRODXWLIOL-ZIAGYGMSSA-N 1 1 332.404 0.250 20 30 ECEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCOC[C@@H]1OC ZINC001266901197 836455006 /nfs/dbraw/zinc/45/50/06/836455006.db2.gz GYWFTLOUYRAHNE-LFRCEIEQSA-N 1 1 336.432 0.124 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H](C)SC)CC1 ZINC001283292972 836500046 /nfs/dbraw/zinc/50/00/46/836500046.db2.gz YDAFNCFAHJRJQX-STQMWFEESA-N 1 1 325.478 0.799 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1ccc2cncn2c1C ZINC001266951181 836515920 /nfs/dbraw/zinc/51/59/20/836515920.db2.gz ZXPNQWXUZRWXEM-CHWSQXEVSA-N 1 1 341.415 0.489 20 30 ECEDMO C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2cc(CCC)[nH]n2)C1 ZINC001267002181 836595203 /nfs/dbraw/zinc/59/52/03/836595203.db2.gz GDUVAGAYLMNCMC-AWEZNQCLSA-N 1 1 345.447 0.553 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001408553905 836651878 /nfs/dbraw/zinc/65/18/78/836651878.db2.gz UVLIMYZRAYFUPL-HNNXBMFYSA-N 1 1 331.420 0.947 20 30 ECEDMO C[N@@H+](C[C@H](O)Cn1cccn1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001267104566 836781192 /nfs/dbraw/zinc/78/11/92/836781192.db2.gz CKUJVFGAMOEERZ-SJORKVTESA-N 1 1 330.432 0.580 20 30 ECEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001267108314 836790864 /nfs/dbraw/zinc/79/08/64/836790864.db2.gz MHEZHBHRQCNTGP-UONOGXRCSA-N 1 1 346.497 0.318 20 30 ECEDMO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001267112127 836798407 /nfs/dbraw/zinc/79/84/07/836798407.db2.gz WPMMMXFCJZRFNG-HUUCEWRRSA-N 1 1 329.448 0.866 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)NCC#N ZINC001279575438 836800277 /nfs/dbraw/zinc/80/02/77/836800277.db2.gz GCGOUXSJCMSCCY-CVEARBPZSA-N 1 1 330.432 0.885 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)NCC#N ZINC001279575438 836800286 /nfs/dbraw/zinc/80/02/86/836800286.db2.gz GCGOUXSJCMSCCY-CVEARBPZSA-N 1 1 330.432 0.885 20 30 ECEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC001267112668 836801736 /nfs/dbraw/zinc/80/17/36/836801736.db2.gz VDKIZVGZTMPRKZ-HOCLYGCPSA-N 1 1 326.462 0.900 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2cn(CC)nn2)C1 ZINC001267113125 836801832 /nfs/dbraw/zinc/80/18/32/836801832.db2.gz DSKGTKLOLPBGSF-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)c1ccccn1 ZINC001267157716 836865069 /nfs/dbraw/zinc/86/50/69/836865069.db2.gz IWNGJLJRLMYGSO-OAHLLOKOSA-N 1 1 328.416 0.805 20 30 ECEDMO Cn1ncnc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)CSCC#N ZINC001267162642 836879511 /nfs/dbraw/zinc/87/95/11/836879511.db2.gz XWINOQNCOJQGMI-ZDUSSCGKSA-N 1 1 336.465 0.933 20 30 ECEDMO Cn1ncnc1C[N@H+]1CCC[C@@H]1CCCNC(=O)CSCC#N ZINC001267162642 836879524 /nfs/dbraw/zinc/87/95/24/836879524.db2.gz XWINOQNCOJQGMI-ZDUSSCGKSA-N 1 1 336.465 0.933 20 30 ECEDMO Cc1nc(C)c(C(=O)NCCC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)o1 ZINC001267163602 836881478 /nfs/dbraw/zinc/88/14/78/836881478.db2.gz XCGRMTVWUPGYDT-CQSZACIVSA-N 1 1 347.419 0.906 20 30 ECEDMO C[N@H+](CCNC(=O)CSCC#N)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001267187345 836944106 /nfs/dbraw/zinc/94/41/06/836944106.db2.gz UMGPEVIBLUDTSN-UHFFFAOYSA-N 1 1 335.433 0.864 20 30 ECEDMO C[N@@H+](CCNC(=O)CSCC#N)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001267187345 836944114 /nfs/dbraw/zinc/94/41/14/836944114.db2.gz UMGPEVIBLUDTSN-UHFFFAOYSA-N 1 1 335.433 0.864 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001267202488 836979234 /nfs/dbraw/zinc/97/92/34/836979234.db2.gz ANUMWGXGCYADMX-ZIAGYGMSSA-N 1 1 333.436 0.184 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001267202488 836979245 /nfs/dbraw/zinc/97/92/45/836979245.db2.gz ANUMWGXGCYADMX-ZIAGYGMSSA-N 1 1 333.436 0.184 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CCn3cncc3C2)C1=O ZINC001267202671 836979288 /nfs/dbraw/zinc/97/92/88/836979288.db2.gz GSLOPWNJUXAXJA-ZBFHGGJFSA-N 1 1 345.447 0.280 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CCn3cncc3C2)C1=O ZINC001267202671 836979298 /nfs/dbraw/zinc/97/92/98/836979298.db2.gz GSLOPWNJUXAXJA-ZBFHGGJFSA-N 1 1 345.447 0.280 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC=CCC1 ZINC001267212531 837001385 /nfs/dbraw/zinc/00/13/85/837001385.db2.gz ORYKKCNNXDQXQI-CQSZACIVSA-N 1 1 336.436 0.793 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC=CCC1 ZINC001267212531 837001398 /nfs/dbraw/zinc/00/13/98/837001398.db2.gz ORYKKCNNXDQXQI-CQSZACIVSA-N 1 1 336.436 0.793 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CCCCOC)[C@@H]2C1 ZINC001279606476 837004020 /nfs/dbraw/zinc/00/40/20/837004020.db2.gz YGHJSKLITHUELX-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCCOC)[C@@H]2C1 ZINC001279606476 837004028 /nfs/dbraw/zinc/00/40/28/837004028.db2.gz YGHJSKLITHUELX-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cc1OC ZINC001267217771 837008275 /nfs/dbraw/zinc/00/82/75/837008275.db2.gz PINPKWUZQHNVQK-NSHDSACASA-N 1 1 336.392 0.148 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1c[nH]c(=O)cc1OC ZINC001267217771 837008283 /nfs/dbraw/zinc/00/82/83/837008283.db2.gz PINPKWUZQHNVQK-NSHDSACASA-N 1 1 336.392 0.148 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(N(C)C)cc1 ZINC001267227224 837028439 /nfs/dbraw/zinc/02/84/39/837028439.db2.gz ICNXLMIZBMTDMJ-CQSZACIVSA-N 1 1 330.432 0.552 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(N(C)C)cc1 ZINC001267227224 837028448 /nfs/dbraw/zinc/02/84/48/837028448.db2.gz ICNXLMIZBMTDMJ-CQSZACIVSA-N 1 1 330.432 0.552 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(OC)c(OC)c1 ZINC001267230150 837033522 /nfs/dbraw/zinc/03/35/22/837033522.db2.gz SDARGMWPJSAPKZ-ZDUSSCGKSA-N 1 1 347.415 0.503 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc(OC)c(OC)c1 ZINC001267230150 837033529 /nfs/dbraw/zinc/03/35/29/837033529.db2.gz SDARGMWPJSAPKZ-ZDUSSCGKSA-N 1 1 347.415 0.503 20 30 ECEDMO CC[N@H+](CCNC(=O)c1[nH]cnc1C(F)(F)F)CC(=O)NCC#N ZINC001267242605 837050731 /nfs/dbraw/zinc/05/07/31/837050731.db2.gz RNFABEWDWQDJHC-UHFFFAOYSA-N 1 1 346.313 0.120 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1[nH]cnc1C(F)(F)F)CC(=O)NCC#N ZINC001267242605 837050744 /nfs/dbraw/zinc/05/07/44/837050744.db2.gz RNFABEWDWQDJHC-UHFFFAOYSA-N 1 1 346.313 0.120 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cnn2c1CCC2 ZINC001267242490 837051448 /nfs/dbraw/zinc/05/14/48/837051448.db2.gz NWTVSDCMZOIKOZ-ZDUSSCGKSA-N 1 1 333.436 0.572 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cnn2c1CCC2 ZINC001267242490 837051460 /nfs/dbraw/zinc/05/14/60/837051460.db2.gz NWTVSDCMZOIKOZ-ZDUSSCGKSA-N 1 1 333.436 0.572 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cccc(N(C)C)c1 ZINC001267254817 837075266 /nfs/dbraw/zinc/07/52/66/837075266.db2.gz FWXRFCBCCVGAEC-HNNXBMFYSA-N 1 1 344.459 0.942 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cccc(N(C)C)c1 ZINC001267254817 837075270 /nfs/dbraw/zinc/07/52/70/837075270.db2.gz FWXRFCBCCVGAEC-HNNXBMFYSA-N 1 1 344.459 0.942 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001267269420 837106936 /nfs/dbraw/zinc/10/69/36/837106936.db2.gz NSESWTWOZYARJF-LBPRGKRZSA-N 1 1 328.372 0.705 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001267269420 837106941 /nfs/dbraw/zinc/10/69/41/837106941.db2.gz NSESWTWOZYARJF-LBPRGKRZSA-N 1 1 328.372 0.705 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001267268941 837107588 /nfs/dbraw/zinc/10/75/88/837107588.db2.gz IIKRHIXOCCDWGR-JKSUJKDBSA-N 1 1 336.480 0.744 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001267268817 837107773 /nfs/dbraw/zinc/10/77/73/837107773.db2.gz GPMKLGAVCBQABA-DGCLKSJQSA-N 1 1 333.392 0.067 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001267274238 837116574 /nfs/dbraw/zinc/11/65/74/837116574.db2.gz MELYDFYXHSRBBI-HZPDHXFCSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)c1cnn(C)c1 ZINC001267276860 837122170 /nfs/dbraw/zinc/12/21/70/837122170.db2.gz QITNLUFFDRHJLY-HOCLYGCPSA-N 1 1 345.447 0.244 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)c1cnn(C)c1 ZINC001267276860 837122177 /nfs/dbraw/zinc/12/21/77/837122177.db2.gz QITNLUFFDRHJLY-HOCLYGCPSA-N 1 1 345.447 0.244 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1=CC[N@H+](CCNS(C)(=O)=O)CC1 ZINC001279629414 837125551 /nfs/dbraw/zinc/12/55/51/837125551.db2.gz YACUWHZMKQKOGZ-INIZCTEOSA-N 1 1 343.493 0.886 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1=CC[N@@H+](CCNS(C)(=O)=O)CC1 ZINC001279629414 837125556 /nfs/dbraw/zinc/12/55/56/837125556.db2.gz YACUWHZMKQKOGZ-INIZCTEOSA-N 1 1 343.493 0.886 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1(CCOC)CCC1 ZINC001267281701 837130414 /nfs/dbraw/zinc/13/04/14/837130414.db2.gz PGLDPLSHWWFLMB-HNNXBMFYSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1(CCOC)CCC1 ZINC001267281701 837130418 /nfs/dbraw/zinc/13/04/18/837130418.db2.gz PGLDPLSHWWFLMB-HNNXBMFYSA-N 1 1 335.448 0.523 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001267285334 837136142 /nfs/dbraw/zinc/13/61/42/837136142.db2.gz GICBLCZCHVXDNB-HUUCEWRRSA-N 1 1 348.447 0.793 20 30 ECEDMO C#CCCCCC(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267292656 837147982 /nfs/dbraw/zinc/14/79/82/837147982.db2.gz YSOKJUAUOCDYPT-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2scnc2CC)C1 ZINC001267295434 837149940 /nfs/dbraw/zinc/14/99/40/837149940.db2.gz WHJYXYLKFFUSNF-LBPRGKRZSA-N 1 1 334.445 0.507 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccc3n[nH]nc32)C1 ZINC001267295040 837151580 /nfs/dbraw/zinc/15/15/80/837151580.db2.gz PKBSGBRPPFIUSN-LBPRGKRZSA-N 1 1 342.403 0.312 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001267298909 837160879 /nfs/dbraw/zinc/16/08/79/837160879.db2.gz SROOAFXVLOQEOP-ZDUSSCGKSA-N 1 1 332.404 0.590 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2CCC(OC)CC2)C1 ZINC001267299584 837162912 /nfs/dbraw/zinc/16/29/12/837162912.db2.gz DHTOWVNCBXGSHI-QQFBHYJXSA-N 1 1 337.464 0.932 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)c2nccn3ccnc23)C1 ZINC001267302914 837168055 /nfs/dbraw/zinc/16/80/55/837168055.db2.gz ISJLYCWFLAZSTC-AWEZNQCLSA-N 1 1 327.388 0.431 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccccc2F)C1 ZINC001267305683 837174738 /nfs/dbraw/zinc/17/47/38/837174738.db2.gz MVTQUPKKAPGZAU-GJZGRUSLSA-N 1 1 345.418 0.944 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001267307062 837177579 /nfs/dbraw/zinc/17/75/79/837177579.db2.gz KWFVBCUVJMGADZ-LSDHHAIUSA-N 1 1 331.420 0.022 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)NCc2ccco2)C1 ZINC001267309621 837183117 /nfs/dbraw/zinc/18/31/17/837183117.db2.gz MVIGWFHUKLZWKX-AWEZNQCLSA-N 1 1 332.404 0.540 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NC[C@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001267310603 837186415 /nfs/dbraw/zinc/18/64/15/837186415.db2.gz YXCQBCMZWQIDGG-UONOGXRCSA-N 1 1 340.468 0.723 20 30 ECEDMO CCC[N@H+](CCNC(=O)C1Cc2ccccc2C1)CC(=O)NCC#N ZINC001267318159 837195027 /nfs/dbraw/zinc/19/50/27/837195027.db2.gz SGUDWVXFBWPZRX-UHFFFAOYSA-N 1 1 342.443 0.869 20 30 ECEDMO CCC[N@@H+](CCNC(=O)C1Cc2ccccc2C1)CC(=O)NCC#N ZINC001267318159 837195031 /nfs/dbraw/zinc/19/50/31/837195031.db2.gz SGUDWVXFBWPZRX-UHFFFAOYSA-N 1 1 342.443 0.869 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N(CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001267326670 837205502 /nfs/dbraw/zinc/20/55/02/837205502.db2.gz XXWZOXJHSPHDID-WBVHZDCISA-N 1 1 348.491 0.578 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1cnns1)c1ccccc1 ZINC001267351619 837239266 /nfs/dbraw/zinc/23/92/66/837239266.db2.gz UJKVCZTUFBYANI-ZDUSSCGKSA-N 1 1 343.412 0.348 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc(C)cn2)C1 ZINC001267578632 837835450 /nfs/dbraw/zinc/83/54/50/837835450.db2.gz OFZSKOHTDRDXHQ-HOTGVXAUSA-N 1 1 347.463 0.663 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@H](C[N@@H+](C)CCCS(C)(=O)=O)C1 ZINC001267581048 837843747 /nfs/dbraw/zinc/84/37/47/837843747.db2.gz IMAXASCKFFAXTM-ZBFHGGJFSA-N 1 1 346.493 0.529 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC001267582050 837846468 /nfs/dbraw/zinc/84/64/68/837846468.db2.gz AYFYBQREEGRNRU-CQSZACIVSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001267584811 837857801 /nfs/dbraw/zinc/85/78/01/837857801.db2.gz IYEDOTKCIHLPHP-GFCCVEGCSA-N 1 1 339.417 0.344 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001267585811 837861105 /nfs/dbraw/zinc/86/11/05/837861105.db2.gz CWILPDVZWVCZFT-INIZCTEOSA-N 1 1 336.480 0.507 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N(C)CC)C1 ZINC001267585632 837861657 /nfs/dbraw/zinc/86/16/57/837861657.db2.gz YVMJAUGBODLBTQ-IRXDYDNUSA-N 1 1 348.491 0.343 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001267586244 837862554 /nfs/dbraw/zinc/86/25/54/837862554.db2.gz NCBFEGCUAJMTBG-ZDUSSCGKSA-N 1 1 326.400 0.993 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](C[N@@H+](C)Cc2cnon2)C1 ZINC001267590554 837878705 /nfs/dbraw/zinc/87/87/05/837878705.db2.gz TZIIDJORDCXAML-GDBMZVCRSA-N 1 1 349.435 0.821 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](C[N@H+](C)Cc2cnon2)C1 ZINC001267590554 837878710 /nfs/dbraw/zinc/87/87/10/837878710.db2.gz TZIIDJORDCXAML-GDBMZVCRSA-N 1 1 349.435 0.821 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001267591099 837880162 /nfs/dbraw/zinc/88/01/62/837880162.db2.gz AHIKOBFIKSYHNF-CQSZACIVSA-N 1 1 342.403 0.168 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC001267593384 837890450 /nfs/dbraw/zinc/89/04/50/837890450.db2.gz JTNZANMRACJVOU-CYBMUJFWSA-N 1 1 333.436 0.668 20 30 ECEDMO C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001408668416 837912510 /nfs/dbraw/zinc/91/25/10/837912510.db2.gz MOCAGNDJZGXBED-LBPRGKRZSA-N 1 1 326.360 0.615 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H](OCC)[C@H]2CCOC2)CC1 ZINC001267608759 837959673 /nfs/dbraw/zinc/95/96/73/837959673.db2.gz BXTYAVKGTHIPRM-IRXDYDNUSA-N 1 1 337.464 0.137 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2nncc3ccccc32)CC1 ZINC001267609036 837964527 /nfs/dbraw/zinc/96/45/27/837964527.db2.gz MOPVQOOZYAATLV-UHFFFAOYSA-N 1 1 337.427 0.953 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2onc3c2CCCC3)CC1 ZINC001267608829 837964630 /nfs/dbraw/zinc/96/46/30/837964630.db2.gz DIEUAFPQBYQLFI-UHFFFAOYSA-N 1 1 330.432 0.876 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001267625568 838075339 /nfs/dbraw/zinc/07/53/39/838075339.db2.gz NIXPEACCIOSNEX-GFCCVEGCSA-N 1 1 336.823 0.811 20 30 ECEDMO CCO[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1)C1CC1 ZINC001267653332 838156923 /nfs/dbraw/zinc/15/69/23/838156923.db2.gz PQBWEBVYVVYNEB-CZUORRHYSA-N 1 1 336.436 0.222 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2coc(OC)n2)C1 ZINC001267665012 838186701 /nfs/dbraw/zinc/18/67/01/838186701.db2.gz AOKOUHNSRUDLCI-LBPRGKRZSA-N 1 1 336.392 0.379 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2coc(OC)n2)C1 ZINC001267665011 838186917 /nfs/dbraw/zinc/18/69/17/838186917.db2.gz AOKOUHNSRUDLCI-GFCCVEGCSA-N 1 1 336.392 0.379 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(C)C)on2)C1 ZINC001267670211 838202560 /nfs/dbraw/zinc/20/25/60/838202560.db2.gz LHURLQDBKYGGBT-AWEZNQCLSA-N 1 1 346.431 0.941 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2cc3cc[nH]c(=O)c3s2)C1 ZINC001267688714 838253870 /nfs/dbraw/zinc/25/38/70/838253870.db2.gz SZJHENRLXAQJBH-UHFFFAOYSA-N 1 1 345.424 0.901 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001267697611 838287212 /nfs/dbraw/zinc/28/72/12/838287212.db2.gz NVZZWNFEWTXDDM-OAHLLOKOSA-N 1 1 331.420 0.096 20 30 ECEDMO COc1cccnc1C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267703767 838307267 /nfs/dbraw/zinc/30/72/67/838307267.db2.gz WIOMKMLEDHBXTN-CYBMUJFWSA-N 1 1 345.403 0.124 20 30 ECEDMO C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCS1(=O)=O ZINC001267706023 838307842 /nfs/dbraw/zinc/30/78/42/838307842.db2.gz XOUMTAMWZKQKBJ-KBPBESRZSA-N 1 1 327.450 0.273 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccnc2C(N)=O)C1 ZINC001267707648 838311075 /nfs/dbraw/zinc/31/10/75/838311075.db2.gz DEMMMUYSNSJKSB-CQSZACIVSA-N 1 1 344.415 0.224 20 30 ECEDMO COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001267708787 838318367 /nfs/dbraw/zinc/31/83/67/838318367.db2.gz QIJFVQAPTOKCEP-CABCVRRESA-N 1 1 344.477 0.097 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001267708787 838318372 /nfs/dbraw/zinc/31/83/72/838318372.db2.gz QIJFVQAPTOKCEP-CABCVRRESA-N 1 1 344.477 0.097 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001267710918 838325628 /nfs/dbraw/zinc/32/56/28/838325628.db2.gz DBDXOIWFGVKCMZ-JYJNAYRXSA-N 1 1 334.420 0.595 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001267710918 838325630 /nfs/dbraw/zinc/32/56/30/838325630.db2.gz DBDXOIWFGVKCMZ-JYJNAYRXSA-N 1 1 334.420 0.595 20 30 ECEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267723927 838382479 /nfs/dbraw/zinc/38/24/79/838382479.db2.gz OHSRCNAQJVJONQ-JSGCOSHPSA-N 1 1 336.436 0.910 20 30 ECEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267723927 838382481 /nfs/dbraw/zinc/38/24/81/838382481.db2.gz OHSRCNAQJVJONQ-JSGCOSHPSA-N 1 1 336.436 0.910 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001267724008 838383496 /nfs/dbraw/zinc/38/34/96/838383496.db2.gz QIJODPWRAJUJBG-YOEHRIQHSA-N 1 1 345.447 0.630 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001267724008 838383503 /nfs/dbraw/zinc/38/35/03/838383503.db2.gz QIJODPWRAJUJBG-YOEHRIQHSA-N 1 1 345.447 0.630 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C[N@H+](C)C[C@@H](O)COC)CC1 ZINC001267724330 838385544 /nfs/dbraw/zinc/38/55/44/838385544.db2.gz DIOWVLGHOMLKIE-WBVHZDCISA-N 1 1 328.453 0.491 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C[N@H+](C)CCS(C)(=O)=O)CC1 ZINC001267725037 838390417 /nfs/dbraw/zinc/39/04/17/838390417.db2.gz SFLPDXQTNHVBMQ-INIZCTEOSA-N 1 1 346.493 0.529 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C[N@@H+](C)CCS(C)(=O)=O)CC1 ZINC001267725037 838390425 /nfs/dbraw/zinc/39/04/25/838390425.db2.gz SFLPDXQTNHVBMQ-INIZCTEOSA-N 1 1 346.493 0.529 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)Cn2c(=O)oc3ccccc32)C1 ZINC001267733982 838424986 /nfs/dbraw/zinc/42/49/86/838424986.db2.gz MWFUHXMTDDNPJS-AWEZNQCLSA-N 1 1 343.383 0.435 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)Cn2c(=O)oc3ccccc32)C1 ZINC001267733982 838424989 /nfs/dbraw/zinc/42/49/89/838424989.db2.gz MWFUHXMTDDNPJS-AWEZNQCLSA-N 1 1 343.383 0.435 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2ccnnc2C)CC1 ZINC001267733461 838425929 /nfs/dbraw/zinc/42/59/29/838425929.db2.gz PJCBSVVMSWBJAY-UHFFFAOYSA-N 1 1 345.447 0.871 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC001267741890 838442875 /nfs/dbraw/zinc/44/28/75/838442875.db2.gz QKLADSVEQJWINO-QZTJIDSGSA-N 1 1 348.418 0.960 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267744505 838447120 /nfs/dbraw/zinc/44/71/20/838447120.db2.gz SEDSIIQUDCOQEA-TZMCWYRMSA-N 1 1 333.436 0.396 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267744505 838447123 /nfs/dbraw/zinc/44/71/23/838447123.db2.gz SEDSIIQUDCOQEA-TZMCWYRMSA-N 1 1 333.436 0.396 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC001267746611 838452400 /nfs/dbraw/zinc/45/24/00/838452400.db2.gz MWMNDKCNPFLVJF-ZIAGYGMSSA-N 1 1 333.436 0.532 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC001267746611 838452406 /nfs/dbraw/zinc/45/24/06/838452406.db2.gz MWMNDKCNPFLVJF-ZIAGYGMSSA-N 1 1 333.436 0.532 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)c2oncc2C)CC1 ZINC001267752461 838474542 /nfs/dbraw/zinc/47/45/42/838474542.db2.gz LIKOGWMAVWNKQA-AWEZNQCLSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001267758320 838484210 /nfs/dbraw/zinc/48/42/10/838484210.db2.gz ATHBFXUZORVKSE-CHWSQXEVSA-N 1 1 332.404 0.624 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001267758320 838484214 /nfs/dbraw/zinc/48/42/14/838484214.db2.gz ATHBFXUZORVKSE-CHWSQXEVSA-N 1 1 332.404 0.624 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267761070 838488611 /nfs/dbraw/zinc/48/86/11/838488611.db2.gz AKUQGZJUCHPMPX-LSDHHAIUSA-N 1 1 326.462 0.613 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267761070 838488616 /nfs/dbraw/zinc/48/86/16/838488616.db2.gz AKUQGZJUCHPMPX-LSDHHAIUSA-N 1 1 326.462 0.613 20 30 ECEDMO C=C(C)[C@H](CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)N(C)C)C1)OCC ZINC001267763143 838494309 /nfs/dbraw/zinc/49/43/09/838494309.db2.gz KQRRPTPZCNWOTB-GJZGRUSLSA-N 1 1 325.453 0.979 20 30 ECEDMO C=C(C)[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)OCC ZINC001267763143 838494312 /nfs/dbraw/zinc/49/43/12/838494312.db2.gz KQRRPTPZCNWOTB-GJZGRUSLSA-N 1 1 325.453 0.979 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001267768035 838506940 /nfs/dbraw/zinc/50/69/40/838506940.db2.gz LSFUHOJPXREYFK-CVEARBPZSA-N 1 1 345.447 0.413 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001267768035 838506945 /nfs/dbraw/zinc/50/69/45/838506945.db2.gz LSFUHOJPXREYFK-CVEARBPZSA-N 1 1 345.447 0.413 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001267768706 838508420 /nfs/dbraw/zinc/50/84/20/838508420.db2.gz RNZLWIDKTOABAL-ZIAGYGMSSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001267768706 838508428 /nfs/dbraw/zinc/50/84/28/838508428.db2.gz RNZLWIDKTOABAL-ZIAGYGMSSA-N 1 1 344.415 0.374 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCCF)C1 ZINC001267769943 838517337 /nfs/dbraw/zinc/51/73/37/838517337.db2.gz FISFSWFMCBLIAC-QWHCGFSZSA-N 1 1 342.415 0.669 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCCF)C1 ZINC001267769943 838517347 /nfs/dbraw/zinc/51/73/47/838517347.db2.gz FISFSWFMCBLIAC-QWHCGFSZSA-N 1 1 342.415 0.669 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001267772936 838530086 /nfs/dbraw/zinc/53/00/86/838530086.db2.gz YBLCEYVYPXMMMO-GXTWGEPZSA-N 1 1 331.420 0.311 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001267772936 838530090 /nfs/dbraw/zinc/53/00/90/838530090.db2.gz YBLCEYVYPXMMMO-GXTWGEPZSA-N 1 1 331.420 0.311 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](CC#CCOC)C2)nn1 ZINC001267773582 838533607 /nfs/dbraw/zinc/53/36/07/838533607.db2.gz OJYGOVNCHFWSIE-OAHLLOKOSA-N 1 1 331.420 0.650 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](CC#CCOC)C2)nn1 ZINC001267773582 838533613 /nfs/dbraw/zinc/53/36/13/838533613.db2.gz OJYGOVNCHFWSIE-OAHLLOKOSA-N 1 1 331.420 0.650 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCc2cnccn2)C1 ZINC001267775653 838538625 /nfs/dbraw/zinc/53/86/25/838538625.db2.gz VCDHMBWSVHHMCZ-ZBFHGGJFSA-N 1 1 343.431 0.080 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCc2cnccn2)C1 ZINC001267775653 838538631 /nfs/dbraw/zinc/53/86/31/838538631.db2.gz VCDHMBWSVHHMCZ-ZBFHGGJFSA-N 1 1 343.431 0.080 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC001267778076 838544963 /nfs/dbraw/zinc/54/49/63/838544963.db2.gz WQJDYYWZFQZAIE-QZTJIDSGSA-N 1 1 330.428 0.750 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001267777687 838545103 /nfs/dbraw/zinc/54/51/03/838545103.db2.gz SNWQJIIJALQXNN-HOCLYGCPSA-N 1 1 328.416 0.467 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001267777687 838545106 /nfs/dbraw/zinc/54/51/06/838545106.db2.gz SNWQJIIJALQXNN-HOCLYGCPSA-N 1 1 328.416 0.467 20 30 ECEDMO CCN(C(=O)C(N)=O)[C@H]1CC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC001267788767 838568891 /nfs/dbraw/zinc/56/88/91/838568891.db2.gz DCGLJSZXVJJJER-AWEZNQCLSA-N 1 1 330.388 0.475 20 30 ECEDMO CCN(C(=O)C(N)=O)[C@H]1CC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC001267788767 838568897 /nfs/dbraw/zinc/56/88/97/838568897.db2.gz DCGLJSZXVJJJER-AWEZNQCLSA-N 1 1 330.388 0.475 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001267789748 838569996 /nfs/dbraw/zinc/56/99/96/838569996.db2.gz ITWKLECJHFATOL-CQSZACIVSA-N 1 1 337.420 0.165 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001267942719 838831704 /nfs/dbraw/zinc/83/17/04/838831704.db2.gz KQKXQDUXPZIONB-XJKSGUPXSA-N 1 1 346.406 0.482 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001267942719 838831710 /nfs/dbraw/zinc/83/17/10/838831710.db2.gz KQKXQDUXPZIONB-XJKSGUPXSA-N 1 1 346.406 0.482 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001267966739 838884023 /nfs/dbraw/zinc/88/40/23/838884023.db2.gz QGUAQNKMFYPHCH-CQSZACIVSA-N 1 1 346.431 0.886 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H](C)CNCc2cnn(CC)n2)CC1 ZINC001268015912 838978974 /nfs/dbraw/zinc/97/89/74/838978974.db2.gz VWYOVKBFQDTRLX-HNNXBMFYSA-N 1 1 346.479 0.485 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)CCN2CCOCC2)C1 ZINC001268025770 839024612 /nfs/dbraw/zinc/02/46/12/839024612.db2.gz KOOATGZVPHRPHJ-SJORKVTESA-N 1 1 339.480 0.880 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001268026206 839027595 /nfs/dbraw/zinc/02/75/95/839027595.db2.gz SSNBXZVURGAZSS-LSDHHAIUSA-N 1 1 338.452 0.560 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001268028304 839040391 /nfs/dbraw/zinc/04/03/91/839040391.db2.gz CDOKPAWKWRYKDK-JKSUJKDBSA-N 1 1 347.463 0.932 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001268028692 839043534 /nfs/dbraw/zinc/04/35/34/839043534.db2.gz LPCNDMRSKVVXNT-CQSZACIVSA-N 1 1 347.481 0.051 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3CCCN3C)CCCC2)C1=O ZINC001268033287 839080856 /nfs/dbraw/zinc/08/08/56/839080856.db2.gz LDDZNENXQYMKLW-HOTGVXAUSA-N 1 1 348.491 0.886 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)C1=O ZINC000981011025 839332040 /nfs/dbraw/zinc/33/20/40/839332040.db2.gz YNNMZSGBMOXWMJ-CABCVRRESA-N 1 1 346.435 0.160 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)C1=O ZINC000981011025 839332053 /nfs/dbraw/zinc/33/20/53/839332053.db2.gz YNNMZSGBMOXWMJ-CABCVRRESA-N 1 1 346.435 0.160 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1sccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000427730475 210215195 /nfs/dbraw/zinc/21/51/95/210215195.db2.gz FXVHNUHGCJYKJE-GFCCVEGCSA-N 1 1 341.458 0.811 20 30 ECEDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000373058464 282752866 /nfs/dbraw/zinc/75/28/66/282752866.db2.gz NKRIGXONTKRQDR-LLVKDONJSA-N 1 1 328.376 0.073 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@]2(C)CCCS2)CC1 ZINC000331012901 283314456 /nfs/dbraw/zinc/31/44/56/283314456.db2.gz WITIJBUYOZLAKR-OAHLLOKOSA-N 1 1 328.482 0.986 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000265531378 201216502 /nfs/dbraw/zinc/21/65/02/201216502.db2.gz IFFNCQKTEKYEHD-OAHLLOKOSA-N 1 1 342.399 0.062 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000267075003 201221405 /nfs/dbraw/zinc/22/14/05/201221405.db2.gz TYTUWQZFZIEKPD-UHFFFAOYSA-N 1 1 341.411 0.930 20 30 ECEDMO C#CCCN1CC[NH+](C[C@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000271952244 201247962 /nfs/dbraw/zinc/24/79/62/201247962.db2.gz BHAFCZFITBPXAX-KRWDZBQOSA-N 1 1 346.427 0.854 20 30 ECEDMO C=CCNC(=O)CN1CC[N@H+](CC(=O)NCC=C)[C@H]([C@H](C)CC)C1 ZINC000269984333 201234658 /nfs/dbraw/zinc/23/46/58/201234658.db2.gz ZYSNDODBKLJDEU-CVEARBPZSA-N 1 1 336.480 0.623 20 30 ECEDMO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)[C@H]([C@H](C)CC)C1 ZINC000269984333 201234662 /nfs/dbraw/zinc/23/46/62/201234662.db2.gz ZYSNDODBKLJDEU-CVEARBPZSA-N 1 1 336.480 0.623 20 30 ECEDMO C#CCn1ccc(C[N@H+](CC)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000279693132 201320895 /nfs/dbraw/zinc/32/08/95/201320895.db2.gz HXCUOUJQJXDYSC-HNNXBMFYSA-N 1 1 332.364 0.504 20 30 ECEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000279693132 201320898 /nfs/dbraw/zinc/32/08/98/201320898.db2.gz HXCUOUJQJXDYSC-HNNXBMFYSA-N 1 1 332.364 0.504 20 30 ECEDMO C[C@H](C(=O)N1CCN(c2ccccc2C#N)CC1)N1CC[NH+](C)CC1 ZINC000101671728 204017641 /nfs/dbraw/zinc/01/76/41/204017641.db2.gz RWSLSUXSKLSARF-MRXNPFEDSA-N 1 1 341.459 0.843 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000264896128 247020477 /nfs/dbraw/zinc/02/04/77/247020477.db2.gz QNLRVHFKTDNBFM-UHFFFAOYSA-N 1 1 332.429 0.970 20 30 ECEDMO Cc1nc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)ccc1C#N ZINC000268698851 252149685 /nfs/dbraw/zinc/14/96/85/252149685.db2.gz UQIIASUESMDADO-UHFFFAOYSA-N 1 1 329.404 0.498 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000330409998 285046475 /nfs/dbraw/zinc/04/64/75/285046475.db2.gz YLCMDWCWTGCEJF-RDBSUJKOSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000330409998 285046476 /nfs/dbraw/zinc/04/64/76/285046476.db2.gz YLCMDWCWTGCEJF-RDBSUJKOSA-N 1 1 332.470 0.100 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000284410099 254559088 /nfs/dbraw/zinc/55/90/88/254559088.db2.gz XCJQFMXASOIDJW-HUUCEWRRSA-N 1 1 334.420 0.795 20 30 ECEDMO C[C@@H]1CN(C(=O)NCc2ccnc(N(C)C)n2)C[C@H]1[NH+]1CCOCC1 ZINC000329276464 254603059 /nfs/dbraw/zinc/60/30/59/254603059.db2.gz LEOVFHWDYNPPLJ-UKRRQHHQSA-N 1 1 348.451 0.609 20 30 ECEDMO C=CCN(C)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000459908389 254812504 /nfs/dbraw/zinc/81/25/04/254812504.db2.gz OJXJLUTZHJISFW-XYPWUTKMSA-N 1 1 334.464 0.400 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000491070741 254896572 /nfs/dbraw/zinc/89/65/72/254896572.db2.gz DZZRXFCYOAHVIY-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496311399 255089885 /nfs/dbraw/zinc/08/98/85/255089885.db2.gz RSWQKMMTMXCVPU-OLZOCXBDSA-N 1 1 342.440 0.564 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)[N@@H+](C)C1 ZINC000329090097 286090325 /nfs/dbraw/zinc/09/03/25/286090325.db2.gz WGCYZJUBZHOHFT-IHRRRGAJSA-N 1 1 340.468 0.951 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000249255337 165196430 /nfs/dbraw/zinc/19/64/30/165196430.db2.gz YJWJKJGACKDZAM-OCCSQVGLSA-N 1 1 344.419 0.969 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC001041703214 782020733 /nfs/dbraw/zinc/02/07/33/782020733.db2.gz DLEWTELDPSQYHH-YJBOKZPZSA-N 1 1 342.447 0.573 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000184337726 263158454 /nfs/dbraw/zinc/15/84/54/263158454.db2.gz KTDIBKACMGUZQG-UHFFFAOYSA-N 1 1 331.825 0.804 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000283509214 264124416 /nfs/dbraw/zinc/12/44/16/264124416.db2.gz BKLMOZJVLQVOAE-IUODEOHRSA-N 1 1 326.400 0.916 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1C#N ZINC000284367934 264204768 /nfs/dbraw/zinc/20/47/68/264204768.db2.gz BVRGXIMYWHTTEV-GJZGRUSLSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1C#N ZINC000284367934 264204769 /nfs/dbraw/zinc/20/47/69/264204769.db2.gz BVRGXIMYWHTTEV-GJZGRUSLSA-N 1 1 335.429 0.960 20 30 ECEDMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)[C@@H]2C1 ZINC000285072177 264275138 /nfs/dbraw/zinc/27/51/38/264275138.db2.gz ORUYGPKLOKPPRV-CABCVRRESA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)[C@@H]2C1 ZINC000285072177 264275140 /nfs/dbraw/zinc/27/51/40/264275140.db2.gz ORUYGPKLOKPPRV-CABCVRRESA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(C[C@@H](O)COc3ccc(C#N)cc3)[C@H]2C1 ZINC000284752664 266601767 /nfs/dbraw/zinc/60/17/67/266601767.db2.gz FMLRRMFAGGJLNR-NJAFHUGGSA-N 1 1 331.416 0.703 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc(C#N)cc2)CC1=O ZINC000354136734 266681298 /nfs/dbraw/zinc/68/12/98/266681298.db2.gz DAHPHSLWZQHFFR-INIZCTEOSA-N 1 1 344.415 0.467 20 30 ECEDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000285833512 267091443 /nfs/dbraw/zinc/09/14/43/267091443.db2.gz HIAWACOIFYQBTC-QAPCUYQASA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@H](CNC(=O)NCCn1cnc(C#N)n1)[N@@H+](C)Cc1ccccc1 ZINC000344829095 267158683 /nfs/dbraw/zinc/15/86/83/267158683.db2.gz QPFVMHRBELIYSJ-CQSZACIVSA-N 1 1 341.419 0.969 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)C2=O)cc1 ZINC000333102007 268114015 /nfs/dbraw/zinc/11/40/15/268114015.db2.gz QEFRCAQWGHPHBX-ZNMIVQPWSA-N 1 1 338.367 0.258 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000340955462 268134966 /nfs/dbraw/zinc/13/49/66/268134966.db2.gz MAPYCEYHFDZLAC-HNNXBMFYSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000340955462 268134968 /nfs/dbraw/zinc/13/49/68/268134968.db2.gz MAPYCEYHFDZLAC-HNNXBMFYSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000366498476 268177486 /nfs/dbraw/zinc/17/74/86/268177486.db2.gz ASJKKLXDOILXFG-SJORKVTESA-N 1 1 331.416 0.704 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000366498476 268177487 /nfs/dbraw/zinc/17/74/87/268177487.db2.gz ASJKKLXDOILXFG-SJORKVTESA-N 1 1 331.416 0.704 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000346634501 268178651 /nfs/dbraw/zinc/17/86/51/268178651.db2.gz FRLWEKWJYKAFTL-XOSAIJSUSA-N 1 1 329.400 0.884 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000336883021 268178891 /nfs/dbraw/zinc/17/88/91/268178891.db2.gz XYNNBTYVTKJDMQ-QAPCUYQASA-N 1 1 329.400 0.900 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CCCOC(=O)NC(N)=O)C2)nc1 ZINC000292254606 268181844 /nfs/dbraw/zinc/18/18/44/268181844.db2.gz RCFAWRWTMAMDTR-GFCCVEGCSA-N 1 1 333.348 0.601 20 30 ECEDMO CN1CCO[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]21 ZINC000121109041 277123889 /nfs/dbraw/zinc/12/38/89/277123889.db2.gz HLFBZBPUIXYCGF-IXDOHACOSA-N 1 1 326.400 0.678 20 30 ECEDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000377672905 279117341 /nfs/dbraw/zinc/11/73/41/279117341.db2.gz BOGWVOROAYGCLA-HZPDHXFCSA-N 1 1 333.436 0.437 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H]1O ZINC000343583663 437607043 /nfs/dbraw/zinc/60/70/43/437607043.db2.gz UQLUZVQUBKVQSZ-ILXRZTDVSA-N 1 1 348.472 0.770 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1O ZINC000343583666 437608571 /nfs/dbraw/zinc/60/85/71/437608571.db2.gz UQLUZVQUBKVQSZ-RBSFLKMASA-N 1 1 348.472 0.770 20 30 ECEDMO C[NH+](C)[C@@]1(CNC(=O)N2CCCS(=O)(=O)CC2)CCSC1 ZINC000329023680 289340472 /nfs/dbraw/zinc/34/04/72/289340472.db2.gz UOSRWZRDSULKGA-CYBMUJFWSA-N 1 1 335.495 0.458 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@H]1O ZINC001077977881 782058822 /nfs/dbraw/zinc/05/88/22/782058822.db2.gz UEJBXZFVEURPNY-BFHYXJOUSA-N 1 1 335.404 0.456 20 30 ECEDMO C[C@H](CNC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000331003456 298244507 /nfs/dbraw/zinc/24/45/07/298244507.db2.gz WTHDFMUHFCCYDX-UPJWGTAASA-N 1 1 328.413 0.493 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000073686346 436088016 /nfs/dbraw/zinc/08/80/16/436088016.db2.gz JSWXNCSULDLQHQ-UHFFFAOYSA-N 1 1 343.431 0.910 20 30 ECEDMO Cc1nnc(N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000076924408 436219135 /nfs/dbraw/zinc/21/91/35/436219135.db2.gz XSSKEUCHKDNMAB-HNNXBMFYSA-N 1 1 342.447 0.956 20 30 ECEDMO C[C@](O)(CNc1c(C#N)nnc2ccccc21)C[NH+]1CCOCC1 ZINC000078343556 436264176 /nfs/dbraw/zinc/26/41/76/436264176.db2.gz ZKHVIFRTYXLBKB-KRWDZBQOSA-N 1 1 327.388 0.997 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000081734624 436354648 /nfs/dbraw/zinc/35/46/48/436354648.db2.gz NLJWIALYZRWRHM-UHFFFAOYSA-N 1 1 343.431 0.713 20 30 ECEDMO C#CCN(C(=O)N[C@@H](C)C[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000091210726 436444323 /nfs/dbraw/zinc/44/43/23/436444323.db2.gz CCRQITIPZUNZLY-LSDHHAIUSA-N 1 1 341.477 0.693 20 30 ECEDMO C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000091282260 436448149 /nfs/dbraw/zinc/44/81/49/436448149.db2.gz MHHIICINQQJPIJ-AWEZNQCLSA-N 1 1 344.415 0.776 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000091588871 436453936 /nfs/dbraw/zinc/45/39/36/436453936.db2.gz YFBOQCHRHFZQAE-HZPDHXFCSA-N 1 1 349.479 0.266 20 30 ECEDMO CC(=O)NC1CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000092618278 436472962 /nfs/dbraw/zinc/47/29/62/436472962.db2.gz SPFPBUAHYLEYHZ-QGZVFWFLSA-N 1 1 349.479 0.279 20 30 ECEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cn(C)c(=O)n(C)c1=O ZINC000092567929 436473344 /nfs/dbraw/zinc/47/33/44/436473344.db2.gz VPNNHAQLSVEDKV-UHFFFAOYSA-N 1 1 342.399 0.604 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(C#N)cn1 ZINC000107584574 436612631 /nfs/dbraw/zinc/61/26/31/436612631.db2.gz PIIJFDOIVAMTAE-OAHLLOKOSA-N 1 1 329.404 0.626 20 30 ECEDMO COC(=O)C1(O)CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000271456597 436688899 /nfs/dbraw/zinc/68/88/99/436688899.db2.gz YAMUXVBESNJWFT-UHFFFAOYSA-N 1 1 334.372 0.946 20 30 ECEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC(c2ccnn2CCO)CC1)C1CC1 ZINC000195508766 436692973 /nfs/dbraw/zinc/69/29/73/436692973.db2.gz OGZRYPMJMDCQIT-GOSISDBHSA-N 1 1 345.447 0.863 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000151143756 436697002 /nfs/dbraw/zinc/69/70/02/436697002.db2.gz MZSOHFMKTUWOFS-OAHLLOKOSA-N 1 1 349.456 0.764 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000118852554 436663104 /nfs/dbraw/zinc/66/31/04/436663104.db2.gz WEVAQEBKUYUEDZ-UHFFFAOYSA-N 1 1 336.436 0.723 20 30 ECEDMO C#CCOc1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000119848914 436673417 /nfs/dbraw/zinc/67/34/17/436673417.db2.gz FVJSVAXSNKMSEL-UHFFFAOYSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000065945109 436674398 /nfs/dbraw/zinc/67/43/98/436674398.db2.gz SGMGSUVDUFAJLW-UHFFFAOYSA-N 1 1 338.389 0.388 20 30 ECEDMO C#CCSCCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000119966886 436675751 /nfs/dbraw/zinc/67/57/51/436675751.db2.gz IJZHTRNOFXGYNM-CQSZACIVSA-N 1 1 340.493 0.595 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)nn1CCC#N ZINC000271064760 436678115 /nfs/dbraw/zinc/67/81/15/436678115.db2.gz MJPQJNSCMJVWRY-UHFFFAOYSA-N 1 1 346.435 0.986 20 30 ECEDMO Cn1cc(N2CC[C@H]([N@@H+](C)CCCc3[nH]nc(N)c3C#N)C2=O)cn1 ZINC000120297764 436682453 /nfs/dbraw/zinc/68/24/53/436682453.db2.gz NLTNZPMHLHYECQ-AWEZNQCLSA-N 1 1 342.407 0.267 20 30 ECEDMO Cc1ccn(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(=O)c1C#N ZINC000122017302 436732175 /nfs/dbraw/zinc/73/21/75/436732175.db2.gz QZLZBELNSCBOQS-HNNXBMFYSA-N 1 1 346.431 0.501 20 30 ECEDMO C=CC[C@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000273228143 436738575 /nfs/dbraw/zinc/73/85/75/436738575.db2.gz CZSUXOIRSDEUMA-ZIAGYGMSSA-N 1 1 326.441 0.165 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000123306148 436741526 /nfs/dbraw/zinc/74/15/26/436741526.db2.gz CNXCCGFSSWQDAX-KBPBESRZSA-N 1 1 343.435 0.663 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000245569258 436764112 /nfs/dbraw/zinc/76/41/12/436764112.db2.gz WAMVIUUQUSEZGD-JKSUJKDBSA-N 1 1 349.479 0.231 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000245569258 436764116 /nfs/dbraw/zinc/76/41/16/436764116.db2.gz WAMVIUUQUSEZGD-JKSUJKDBSA-N 1 1 349.479 0.231 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000245920320 436770021 /nfs/dbraw/zinc/77/00/21/436770021.db2.gz XMSXDHASIIGYJY-GJZGRUSLSA-N 1 1 348.472 0.914 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)CCOCc2ccccc2)CC1 ZINC000154693550 436783998 /nfs/dbraw/zinc/78/39/98/436783998.db2.gz LDSZZCOCHWLMTP-UHFFFAOYSA-N 1 1 329.444 0.912 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000273941619 436788562 /nfs/dbraw/zinc/78/85/62/436788562.db2.gz GLMHJKIGWJFJRZ-CVEARBPZSA-N 1 1 344.415 0.834 20 30 ECEDMO C[C@H](C(=O)NCCNC(=O)C1N=CC=CC1=O)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247167537 436789462 /nfs/dbraw/zinc/78/94/62/436789462.db2.gz QYOWIKQSWIAEPH-NDPOJJIBSA-N 1 1 334.420 0.890 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247687291 436796723 /nfs/dbraw/zinc/79/67/23/436796723.db2.gz VHJFHAFUOJWLQP-GJZGRUSLSA-N 1 1 338.452 0.573 20 30 ECEDMO N#C[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000248434439 436802802 /nfs/dbraw/zinc/80/28/02/436802802.db2.gz DWVAQLVKUMIULX-SJORKVTESA-N 1 1 344.415 0.687 20 30 ECEDMO N#CCC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000274635166 436852992 /nfs/dbraw/zinc/85/29/92/436852992.db2.gz PDKGUBPQFDUJAK-UHFFFAOYSA-N 1 1 330.388 0.877 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159395469 436858971 /nfs/dbraw/zinc/85/89/71/436858971.db2.gz PCQXOYKYNTTXBP-MRXNPFEDSA-N 1 1 334.464 0.601 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(OC)ccc1OC ZINC000293392211 436873768 /nfs/dbraw/zinc/87/37/68/436873768.db2.gz NRXUYHDENBOVTR-UHFFFAOYSA-N 1 1 333.388 0.714 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@H](C)C1 ZINC000249525970 436823258 /nfs/dbraw/zinc/82/32/58/436823258.db2.gz YHQUSCGAIVSVJY-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cn1c(C)nc2ccccc2c1=O ZINC000293951117 436921808 /nfs/dbraw/zinc/92/18/08/436921808.db2.gz JYXGNMUGYGFYGY-UHFFFAOYSA-N 1 1 326.400 0.776 20 30 ECEDMO C[C@@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)C[NH+]1CCOCC1 ZINC000136294118 436931383 /nfs/dbraw/zinc/93/13/83/436931383.db2.gz MDLLQQBSMAZJNQ-AWEZNQCLSA-N 1 1 330.384 0.851 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000170649737 436947432 /nfs/dbraw/zinc/94/74/32/436947432.db2.gz CBDYFECRRGLMBP-MRXNPFEDSA-N 1 1 339.399 0.910 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000172766522 437029350 /nfs/dbraw/zinc/02/93/50/437029350.db2.gz KKKMLNQMPLJQOP-QGZVFWFLSA-N 1 1 328.416 0.928 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000172766522 437029354 /nfs/dbraw/zinc/02/93/54/437029354.db2.gz KKKMLNQMPLJQOP-QGZVFWFLSA-N 1 1 328.416 0.928 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000296777495 436997480 /nfs/dbraw/zinc/99/74/80/436997480.db2.gz GSADHYUCMYGRPQ-GFCCVEGCSA-N 1 1 348.369 0.794 20 30 ECEDMO COc1cc(OC)c2ncc(C#N)c(N3CC[NH2+][C@H](C(N)=O)C3)c2c1 ZINC000286034199 437085841 /nfs/dbraw/zinc/08/58/41/437085841.db2.gz GSKFWFCDFDOCJI-ZDUSSCGKSA-N 1 1 341.371 0.387 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375508798 303152855 /nfs/dbraw/zinc/15/28/55/303152855.db2.gz CNMOHZIYCZQGEZ-GHMZBOCLSA-N 1 1 345.325 0.238 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375508798 303152857 /nfs/dbraw/zinc/15/28/57/303152857.db2.gz CNMOHZIYCZQGEZ-GHMZBOCLSA-N 1 1 345.325 0.238 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264807627 437087694 /nfs/dbraw/zinc/08/76/94/437087694.db2.gz XOPAVRADHCODTM-AWEZNQCLSA-N 1 1 332.404 0.308 20 30 ECEDMO C[N@H+]1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1ccccc1 ZINC000286615348 437110403 /nfs/dbraw/zinc/11/04/03/437110403.db2.gz GCQAHRFLSLQMRG-GDBMZVCRSA-N 1 1 339.403 0.894 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000304720537 437160458 /nfs/dbraw/zinc/16/04/58/437160458.db2.gz OKFOWMDQMQLAPW-BQFCYCMXSA-N 1 1 336.480 0.962 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H](O)[C@@H]3C)CC2)o1 ZINC000332314458 437211687 /nfs/dbraw/zinc/21/16/87/437211687.db2.gz OTHXWLXQGMRQQD-WFASDCNBSA-N 1 1 347.419 0.349 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000332444214 437223283 /nfs/dbraw/zinc/22/32/83/437223283.db2.gz XQRNTLFSMUFTFV-GRZALLJUSA-N 1 1 347.463 0.871 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000332444214 437223284 /nfs/dbraw/zinc/22/32/84/437223284.db2.gz XQRNTLFSMUFTFV-GRZALLJUSA-N 1 1 347.463 0.871 20 30 ECEDMO Cc1ncc(S(=O)(=O)NC[C@@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000332558575 437231549 /nfs/dbraw/zinc/23/15/49/437231549.db2.gz OVTMUVQYNAITSW-LBPRGKRZSA-N 1 1 331.401 0.999 20 30 ECEDMO COc1ccc(CCNC(=[NH2+])NC[C@@H]2CN3CCN2CC3)cc1OC ZINC000178991130 437247272 /nfs/dbraw/zinc/24/72/72/437247272.db2.gz QAGUMQCWHMZXJL-OAHLLOKOSA-N 1 1 347.463 0.150 20 30 ECEDMO COc1nccc(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)n1 ZINC000328730177 437258203 /nfs/dbraw/zinc/25/82/03/437258203.db2.gz FXXJZEPLCXZRSX-UHFFFAOYSA-N 1 1 336.440 1.227 20 30 ECEDMO C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1cn[nH]c1 ZINC000328775278 437262842 /nfs/dbraw/zinc/26/28/42/437262842.db2.gz CENMFHNZEDRPEK-JSGCOSHPSA-N 1 1 334.424 0.623 20 30 ECEDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCOC[C@@H]2c2ncnn2C)C1 ZINC000328888375 437278469 /nfs/dbraw/zinc/27/84/69/437278469.db2.gz QBMFUOSAJJHMPX-HZSPNIEDSA-N 1 1 336.440 0.831 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000267178982 437301686 /nfs/dbraw/zinc/30/16/86/437301686.db2.gz DXVUMXAGUFSWBY-UHFFFAOYSA-N 1 1 331.807 0.868 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000267178982 437301689 /nfs/dbraw/zinc/30/16/89/437301689.db2.gz DXVUMXAGUFSWBY-UHFFFAOYSA-N 1 1 331.807 0.868 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329243737 437341218 /nfs/dbraw/zinc/34/12/18/437341218.db2.gz PHCMIYRUPQASFZ-MELADBBJSA-N 1 1 325.409 0.444 20 30 ECEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000329301309 437349706 /nfs/dbraw/zinc/34/97/06/437349706.db2.gz MWOXDABLQGFJRW-KGLIPLIRSA-N 1 1 325.457 0.137 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000268023082 437356772 /nfs/dbraw/zinc/35/67/72/437356772.db2.gz CAGFHAISMRIAAP-LBPRGKRZSA-N 1 1 349.822 0.512 20 30 ECEDMO C[N@H+](CC(C)(CO)CO)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182854198 437365221 /nfs/dbraw/zinc/36/52/21/437365221.db2.gz BVIZXDHCRWXHIL-MRXNPFEDSA-N 1 1 331.416 0.976 20 30 ECEDMO C[N@@H+](CC(C)(CO)CO)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182854198 437365225 /nfs/dbraw/zinc/36/52/25/437365225.db2.gz BVIZXDHCRWXHIL-MRXNPFEDSA-N 1 1 331.416 0.976 20 30 ECEDMO CC1=CC[N@@H+](CCNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000329445500 437369883 /nfs/dbraw/zinc/36/98/83/437369883.db2.gz KXAUZUZUOPYKFJ-UHFFFAOYSA-N 1 1 343.387 0.991 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000182100242 437336429 /nfs/dbraw/zinc/33/64/29/437336429.db2.gz LBEZIXHINPIRAN-GJZGRUSLSA-N 1 1 338.452 0.564 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000182100242 437336432 /nfs/dbraw/zinc/33/64/32/437336432.db2.gz LBEZIXHINPIRAN-GJZGRUSLSA-N 1 1 338.452 0.564 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCNC(=O)C2)C[C@@H]1C ZINC000329707577 437404289 /nfs/dbraw/zinc/40/42/89/437404289.db2.gz LSMUBSIEAQFPMD-KBPBESRZSA-N 1 1 325.457 0.977 20 30 ECEDMO C[C@H](C#N)C[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC000338383869 437406878 /nfs/dbraw/zinc/40/68/78/437406878.db2.gz ZBEPYJDUXAMBOI-GFCCVEGCSA-N 1 1 344.419 0.448 20 30 ECEDMO C[C@H](C#N)C[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC000338383869 437406880 /nfs/dbraw/zinc/40/68/80/437406880.db2.gz ZBEPYJDUXAMBOI-GFCCVEGCSA-N 1 1 344.419 0.448 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1 ZINC000338370349 437408091 /nfs/dbraw/zinc/40/80/91/437408091.db2.gz NQLSGSFTHGZZHZ-MRAWALMUSA-N 1 1 340.383 0.189 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1 ZINC000338370349 437408095 /nfs/dbraw/zinc/40/80/95/437408095.db2.gz NQLSGSFTHGZZHZ-MRAWALMUSA-N 1 1 340.383 0.189 20 30 ECEDMO C[C@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)C[NH+]1CCN(C)CC1 ZINC000329810592 437416224 /nfs/dbraw/zinc/41/62/24/437416224.db2.gz QVSBNJKDLCAJEI-CVEARBPZSA-N 1 1 349.483 0.713 20 30 ECEDMO C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000338803879 437419774 /nfs/dbraw/zinc/41/97/74/437419774.db2.gz BHIZILFLKMGXGN-CABCVRRESA-N 1 1 349.435 0.463 20 30 ECEDMO C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000338803879 437419780 /nfs/dbraw/zinc/41/97/80/437419780.db2.gz BHIZILFLKMGXGN-CABCVRRESA-N 1 1 349.435 0.463 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCCNC(=O)[C@H]1C ZINC000329895151 437426715 /nfs/dbraw/zinc/42/67/15/437426715.db2.gz BRFVEQLCQLQYLL-ZIAGYGMSSA-N 1 1 325.457 0.977 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC(Nc2cccnn2)CC1 ZINC000329569024 437385840 /nfs/dbraw/zinc/38/58/40/437385840.db2.gz LTWUGPLHOSAOAA-AWEZNQCLSA-N 1 1 330.436 1.504 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000330251269 437474073 /nfs/dbraw/zinc/47/40/73/437474073.db2.gz HNTXRUPRLYUOMX-GOEBONIOSA-N 1 1 333.432 0.945 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1COCCO1 ZINC000330272934 437478067 /nfs/dbraw/zinc/47/80/67/437478067.db2.gz YJXTUHMOCCTEFL-HIFRSBDPSA-N 1 1 327.425 0.501 20 30 ECEDMO C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCS1(=O)=O ZINC000330300729 437481133 /nfs/dbraw/zinc/48/11/33/437481133.db2.gz IOJBJIFCFZKHNL-CHWSQXEVSA-N 1 1 329.466 0.894 20 30 ECEDMO CCN1CCN(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1=O ZINC000329976805 437439378 /nfs/dbraw/zinc/43/93/78/437439378.db2.gz FPHHOGUHECIFSU-CQSZACIVSA-N 1 1 325.457 0.091 20 30 ECEDMO Cn1ccnc1[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCN1C ZINC000329977702 437441925 /nfs/dbraw/zinc/44/19/25/437441925.db2.gz ZYOTXRRBDZSZCT-HIFRSBDPSA-N 1 1 332.452 0.859 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000329993853 437443382 /nfs/dbraw/zinc/44/33/82/437443382.db2.gz YTTKMILYOSXQLU-KGLIPLIRSA-N 1 1 325.457 0.137 20 30 ECEDMO Cc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(=O)n1C ZINC000330206288 437468905 /nfs/dbraw/zinc/46/89/05/437468905.db2.gz DDPBUZGWOUYQFO-CYBMUJFWSA-N 1 1 336.436 0.666 20 30 ECEDMO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000330405370 437502593 /nfs/dbraw/zinc/50/25/93/437502593.db2.gz NKLBWIGDQLQVIZ-BFHYXJOUSA-N 1 1 327.425 0.679 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000330422246 437506330 /nfs/dbraw/zinc/50/63/30/437506330.db2.gz YLVRPLNWHJRPBU-IGQOVBAYSA-N 1 1 325.409 0.453 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(C[NH+](C)C)CC2)CC1 ZINC000330634734 437574635 /nfs/dbraw/zinc/57/46/35/437574635.db2.gz CBSLVNQMXSPQSG-GOSISDBHSA-N 1 1 349.523 0.952 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000343737045 437642014 /nfs/dbraw/zinc/64/20/14/437642014.db2.gz HOQQCCURMGKECR-RDJZCZTQSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CC[N@@H+](CCOC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000191148218 437649494 /nfs/dbraw/zinc/64/94/94/437649494.db2.gz LFSROUVDXMNRAH-UHFFFAOYSA-N 1 1 347.419 0.638 20 30 ECEDMO C=CC[N@H+](CCOC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000191148218 437649498 /nfs/dbraw/zinc/64/94/98/437649498.db2.gz LFSROUVDXMNRAH-UHFFFAOYSA-N 1 1 347.419 0.638 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000360891925 437653391 /nfs/dbraw/zinc/65/33/91/437653391.db2.gz UAYOKXOATSTUOP-KRWDZBQOSA-N 1 1 345.443 0.904 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2c(C)nn(C)c2C)CC1 ZINC000330934945 437654091 /nfs/dbraw/zinc/65/40/91/437654091.db2.gz KXSOMNVMVNZXAY-UHFFFAOYSA-N 1 1 336.440 0.251 20 30 ECEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000354878521 437654699 /nfs/dbraw/zinc/65/46/99/437654699.db2.gz JHRDBHUPOFDNST-CYBMUJFWSA-N 1 1 348.451 1.280 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000361321854 437659384 /nfs/dbraw/zinc/65/93/84/437659384.db2.gz UWDQQGDDBXWKNB-KGLIPLIRSA-N 1 1 346.362 0.615 20 30 ECEDMO C[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)CN1CC[NH+](C)CC1 ZINC000361440393 437663218 /nfs/dbraw/zinc/66/32/18/437663218.db2.gz OXVLXTZBBQKOES-NVXWUHKLSA-N 1 1 348.495 0.252 20 30 ECEDMO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000331211483 437718463 /nfs/dbraw/zinc/71/84/63/437718463.db2.gz JEFMWJKNHCFGML-MRVPVSSYSA-N 1 1 345.343 0.088 20 30 ECEDMO C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000331211483 437718465 /nfs/dbraw/zinc/71/84/65/437718465.db2.gz JEFMWJKNHCFGML-MRVPVSSYSA-N 1 1 345.343 0.088 20 30 ECEDMO N#CC1(F)CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000344788002 437765144 /nfs/dbraw/zinc/76/51/44/437765144.db2.gz JMQDCOHSWQZFKD-GFCCVEGCSA-N 1 1 325.388 0.363 20 30 ECEDMO N#CCCn1ccc(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000370352979 437767773 /nfs/dbraw/zinc/76/77/73/437767773.db2.gz HHXVZWOJZLZUBA-GJZGRUSLSA-N 1 1 346.435 1.250 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2nc(COC)cs2)CC1 ZINC000331236524 437723839 /nfs/dbraw/zinc/72/38/39/437723839.db2.gz HNKXRNIUVJHUED-UHFFFAOYSA-N 1 1 341.437 0.826 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000340787483 437733481 /nfs/dbraw/zinc/73/34/81/437733481.db2.gz IEMCOFRXSAWJDQ-MRXNPFEDSA-N 1 1 338.496 0.801 20 30 ECEDMO C[C@@H](NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)C(=O)N(C)C ZINC000344125099 437735731 /nfs/dbraw/zinc/73/57/31/437735731.db2.gz QUDODNOSGDOJEQ-CQSZACIVSA-N 1 1 346.431 0.600 20 30 ECEDMO C[C@@H](NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)C(=O)N(C)C ZINC000344125099 437735735 /nfs/dbraw/zinc/73/57/35/437735735.db2.gz QUDODNOSGDOJEQ-CQSZACIVSA-N 1 1 346.431 0.600 20 30 ECEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCNS(=O)(=O)N(C)C ZINC000331318912 437740985 /nfs/dbraw/zinc/74/09/85/437740985.db2.gz DQPUCKPRQFIYGE-CHWSQXEVSA-N 1 1 349.501 0.006 20 30 ECEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC(=O)NCC#N)C1 ZINC000344464305 437755062 /nfs/dbraw/zinc/75/50/62/437755062.db2.gz RHDRRQLBBXILQD-ZFWWWQNUSA-N 1 1 329.404 0.761 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c1 ZINC000370411883 437780499 /nfs/dbraw/zinc/78/04/99/437780499.db2.gz DPTGJIIJGDTYTJ-UHFFFAOYSA-N 1 1 343.427 0.912 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000356556818 437785976 /nfs/dbraw/zinc/78/59/76/437785976.db2.gz ZKDXYLQKZOVRPY-GUYCJALGSA-N 1 1 338.452 0.610 20 30 ECEDMO Cc1nc(C)n(C[C@@H]2C[N@H+](CCC(=O)N(C)CCC#N)CCO2)n1 ZINC000356989280 437879958 /nfs/dbraw/zinc/87/99/58/437879958.db2.gz RWYDBIBJRCEMQO-HNNXBMFYSA-N 1 1 334.424 0.358 20 30 ECEDMO Cc1nc(C)n(C[C@@H]2C[N@@H+](CCC(=O)N(C)CCC#N)CCO2)n1 ZINC000356989280 437879964 /nfs/dbraw/zinc/87/99/64/437879964.db2.gz RWYDBIBJRCEMQO-HNNXBMFYSA-N 1 1 334.424 0.358 20 30 ECEDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000356988407 437880789 /nfs/dbraw/zinc/88/07/89/437880789.db2.gz QRSUQQGHEGTAPN-LSDHHAIUSA-N 1 1 338.452 0.612 20 30 ECEDMO COC(=O)C1CCN(CC#CC[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000341836166 437904818 /nfs/dbraw/zinc/90/48/18/437904818.db2.gz PODSYCMOEIOIAM-UHFFFAOYSA-N 1 1 336.432 0.760 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000416475406 437941537 /nfs/dbraw/zinc/94/15/37/437941537.db2.gz UJOMGLZOAGVBHS-ZBFHGGJFSA-N 1 1 337.445 0.797 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425393088 438024753 /nfs/dbraw/zinc/02/47/53/438024753.db2.gz UMKCMHMJZLXKSE-UHFFFAOYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)nn1 ZINC000425561432 438027284 /nfs/dbraw/zinc/02/72/84/438027284.db2.gz BHGFHKLYLJVPOV-HNNXBMFYSA-N 1 1 336.440 0.620 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000425484310 438028114 /nfs/dbraw/zinc/02/81/14/438028114.db2.gz VMKZKLKSXJLMNS-CQSZACIVSA-N 1 1 335.456 0.147 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425890852 438045916 /nfs/dbraw/zinc/04/59/16/438045916.db2.gz XETSMFIVOVIZNX-UHFFFAOYSA-N 1 1 343.493 0.591 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000425887356 438046649 /nfs/dbraw/zinc/04/66/49/438046649.db2.gz ASIRAIFWJGBOIX-FZKCQIBNSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000425908561 438047276 /nfs/dbraw/zinc/04/72/76/438047276.db2.gz INYODYQCZUAMAG-IMJJTQAJSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000425890928 438047469 /nfs/dbraw/zinc/04/74/69/438047469.db2.gz SJOKBKWSMZKWMX-IXIBIKRGSA-N 1 1 335.448 0.825 20 30 ECEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(S(N)(=O)=O)CC2)cc1 ZINC000372403665 438085926 /nfs/dbraw/zinc/08/59/26/438085926.db2.gz GAMHDMQNDLEFCB-ZDUSSCGKSA-N 1 1 338.433 0.689 20 30 ECEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCN(S(N)(=O)=O)CC2)cc1 ZINC000372403665 438085928 /nfs/dbraw/zinc/08/59/28/438085928.db2.gz GAMHDMQNDLEFCB-ZDUSSCGKSA-N 1 1 338.433 0.689 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000428510930 438092149 /nfs/dbraw/zinc/09/21/49/438092149.db2.gz CMFLACCTJPWDEA-SUMWQHHRSA-N 1 1 339.436 0.773 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)nn1CCC#N ZINC000348798167 438102936 /nfs/dbraw/zinc/10/29/36/438102936.db2.gz KVGWWMJFKXXZMO-GFCCVEGCSA-N 1 1 332.408 0.643 20 30 ECEDMO COc1cc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)ccc1C#N ZINC000357778474 438068390 /nfs/dbraw/zinc/06/83/90/438068390.db2.gz IEDSMGADXWTMNY-OAHLLOKOSA-N 1 1 331.420 0.612 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430384236 438110887 /nfs/dbraw/zinc/11/08/87/438110887.db2.gz IYPVYHZAVVJEBO-BMFZPTHFSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000430561322 438113490 /nfs/dbraw/zinc/11/34/90/438113490.db2.gz ZZBUUGLQKUGSKB-OAGGEKHMSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000430561322 438113494 /nfs/dbraw/zinc/11/34/94/438113494.db2.gz ZZBUUGLQKUGSKB-OAGGEKHMSA-N 1 1 337.464 0.882 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1(C)C ZINC000373028326 438124968 /nfs/dbraw/zinc/12/49/68/438124968.db2.gz RYQLTVXYVKHQCF-MRXNPFEDSA-N 1 1 348.495 0.394 20 30 ECEDMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC12CCC2 ZINC000373180658 438134094 /nfs/dbraw/zinc/13/40/94/438134094.db2.gz POLXJNZMMWJKPO-AWEZNQCLSA-N 1 1 332.404 0.917 20 30 ECEDMO CC[C@@H](CC#N)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000358060256 438136544 /nfs/dbraw/zinc/13/65/44/438136544.db2.gz FFVMZGJJRKNBLO-LSDHHAIUSA-N 1 1 336.436 0.508 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)nn1CCC#N ZINC000349280833 438146342 /nfs/dbraw/zinc/14/63/42/438146342.db2.gz GSTFHPZDWQHBNG-RISCZKNCSA-N 1 1 344.419 0.643 20 30 ECEDMO C=CCN1CC[C@@H](N(C)C(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1=O ZINC000374050676 438185317 /nfs/dbraw/zinc/18/53/17/438185317.db2.gz LHJAXKVXUUAYTR-MRXNPFEDSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000374085108 438186224 /nfs/dbraw/zinc/18/62/24/438186224.db2.gz SJUAPWLQBPUSPS-LSDHHAIUSA-N 1 1 345.399 0.887 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000374085108 438186229 /nfs/dbraw/zinc/18/62/29/438186229.db2.gz SJUAPWLQBPUSPS-LSDHHAIUSA-N 1 1 345.399 0.887 20 30 ECEDMO C[N@@H+]1CCN(C(=O)NCC(=O)NCC#N)C[C@@H]1Cc1ccccc1 ZINC000358311142 438197890 /nfs/dbraw/zinc/19/78/90/438197890.db2.gz KLTCDWPKETVYRU-HNNXBMFYSA-N 1 1 329.404 0.194 20 30 ECEDMO C[N@H+]1CCN(C(=O)NCC(=O)NCC#N)C[C@@H]1Cc1ccccc1 ZINC000358311142 438197893 /nfs/dbraw/zinc/19/78/93/438197893.db2.gz KLTCDWPKETVYRU-HNNXBMFYSA-N 1 1 329.404 0.194 20 30 ECEDMO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000367426198 438207468 /nfs/dbraw/zinc/20/74/68/438207468.db2.gz MDFCZKOZNRXSFJ-ZDUSSCGKSA-N 1 1 336.417 0.481 20 30 ECEDMO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000367426198 438207471 /nfs/dbraw/zinc/20/74/71/438207471.db2.gz MDFCZKOZNRXSFJ-ZDUSSCGKSA-N 1 1 336.417 0.481 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C[N@H+](CC)CCC)C1=O ZINC000358356547 438207969 /nfs/dbraw/zinc/20/79/69/438207969.db2.gz RNQWPLJSTBXZOP-GFCCVEGCSA-N 1 1 338.408 0.200 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375782559 438261773 /nfs/dbraw/zinc/26/17/73/438261773.db2.gz LCLIDNLWISUXEA-ZIAGYGMSSA-N 1 1 325.409 0.658 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375782559 438261777 /nfs/dbraw/zinc/26/17/77/438261777.db2.gz LCLIDNLWISUXEA-ZIAGYGMSSA-N 1 1 325.409 0.658 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000375779973 438262879 /nfs/dbraw/zinc/26/28/79/438262879.db2.gz NLCUZLIXBIXUOS-AEGPPILISA-N 1 1 349.435 0.708 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC(=O)NCC#N ZINC000376310944 438276620 /nfs/dbraw/zinc/27/66/20/438276620.db2.gz SJBMGFZDJWOJRG-ZBFHGGJFSA-N 1 1 343.431 0.836 20 30 ECEDMO CC(C)(CCC#N)CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000358709172 438287561 /nfs/dbraw/zinc/28/75/61/438287561.db2.gz NSMXYUFWRHGQFO-MRXNPFEDSA-N 1 1 326.441 0.699 20 30 ECEDMO CNC(=O)C[N@@H+]1CCCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000368543861 438344466 /nfs/dbraw/zinc/34/44/66/438344466.db2.gz QBYMJGNKOQLLRI-KRWDZBQOSA-N 1 1 344.415 0.526 20 30 ECEDMO CNC(=O)C[N@H+]1CCCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000368543861 438344469 /nfs/dbraw/zinc/34/44/69/438344469.db2.gz QBYMJGNKOQLLRI-KRWDZBQOSA-N 1 1 344.415 0.526 20 30 ECEDMO CCN(C(=O)NCC(=O)NCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377071799 438302168 /nfs/dbraw/zinc/30/21/68/438302168.db2.gz LJNGZEVSVOALOG-INIZCTEOSA-N 1 1 343.431 0.932 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(Cc3noc(CC)n3)C[C@H]2C1 ZINC000377430572 438312117 /nfs/dbraw/zinc/31/21/17/438312117.db2.gz FDKGLRSGFISVLF-MELADBBJSA-N 1 1 333.436 0.686 20 30 ECEDMO C=C(C)COCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419396983 438356444 /nfs/dbraw/zinc/35/64/44/438356444.db2.gz DNBALWLKJVMVDH-OAHLLOKOSA-N 1 1 332.404 0.263 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)CC1 ZINC000369086197 438422240 /nfs/dbraw/zinc/42/22/40/438422240.db2.gz ZEHSGNIKNOHMJQ-OAHLLOKOSA-N 1 1 335.473 0.856 20 30 ECEDMO N#CC1(F)CC[NH+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000352484678 438428657 /nfs/dbraw/zinc/42/86/57/438428657.db2.gz SBIPDKZVNJOXBM-LBPRGKRZSA-N 1 1 331.347 0.971 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000359262215 438396139 /nfs/dbraw/zinc/39/61/39/438396139.db2.gz LMCCTAIIIOUUMM-KKUMJFAQSA-N 1 1 325.453 0.930 20 30 ECEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000421307259 438480498 /nfs/dbraw/zinc/48/04/98/438480498.db2.gz XFGIQTDTCKEGJC-HNNXBMFYSA-N 1 1 326.400 1.000 20 30 ECEDMO COC(=O)[C@](C)(O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000353477637 438506057 /nfs/dbraw/zinc/50/60/57/438506057.db2.gz KFBGJVFSEKSDGA-GOSISDBHSA-N 1 1 331.416 0.990 20 30 ECEDMO COC(=O)[C@](C)(O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000353477637 438506060 /nfs/dbraw/zinc/50/60/60/438506060.db2.gz KFBGJVFSEKSDGA-GOSISDBHSA-N 1 1 331.416 0.990 20 30 ECEDMO COC(=O)[C@](C)(O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000353477637 438506065 /nfs/dbraw/zinc/50/60/65/438506065.db2.gz KFBGJVFSEKSDGA-GOSISDBHSA-N 1 1 331.416 0.990 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369816086 438517482 /nfs/dbraw/zinc/51/74/82/438517482.db2.gz MVUDUJAOAHXCRH-UHFFFAOYSA-N 1 1 345.447 0.977 20 30 ECEDMO C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050923 438545192 /nfs/dbraw/zinc/54/51/92/438545192.db2.gz UGDUNJJXFUXEPN-CVEARBPZSA-N 1 1 334.464 0.934 20 30 ECEDMO C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050923 438545194 /nfs/dbraw/zinc/54/51/94/438545194.db2.gz UGDUNJJXFUXEPN-CVEARBPZSA-N 1 1 334.464 0.934 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)nn1CCC#N ZINC000441908518 438594125 /nfs/dbraw/zinc/59/41/25/438594125.db2.gz JYOUXOFMICMBBL-UHFFFAOYSA-N 1 1 332.408 0.596 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000410908457 438667709 /nfs/dbraw/zinc/66/77/09/438667709.db2.gz HRBGRLCAJAHMKI-UHFFFAOYSA-N 1 1 346.431 0.700 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000447395082 438676583 /nfs/dbraw/zinc/67/65/83/438676583.db2.gz RNDGUQNTNPPEQR-UNEWFSDZSA-N 1 1 339.436 0.141 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000447395082 438676584 /nfs/dbraw/zinc/67/65/84/438676584.db2.gz RNDGUQNTNPPEQR-UNEWFSDZSA-N 1 1 339.436 0.141 20 30 ECEDMO COC(=O)[C@H]1CN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC[N@@H+](C)C1 ZINC000411900073 438683561 /nfs/dbraw/zinc/68/35/61/438683561.db2.gz DCOVPYLESNCJBG-VBQJREDUSA-N 1 1 338.452 0.466 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000451672446 438706590 /nfs/dbraw/zinc/70/65/90/438706590.db2.gz SLCIUDLKSMVQIK-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451672446 438706593 /nfs/dbraw/zinc/70/65/93/438706593.db2.gz SLCIUDLKSMVQIK-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413600444 438696504 /nfs/dbraw/zinc/69/65/04/438696504.db2.gz YSMWFPZTOFDOLS-CABCVRRESA-N 1 1 327.425 0.319 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000451598704 438700252 /nfs/dbraw/zinc/70/02/52/438700252.db2.gz LZFPWHZHJIDDOR-XHSDSOJGSA-N 1 1 325.453 0.393 20 30 ECEDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 ZINC000453990892 438705549 /nfs/dbraw/zinc/70/55/49/438705549.db2.gz DGNHNXAHMVBNJG-ZDUSSCGKSA-N 1 1 346.435 1.217 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H]2CCC(=O)N(C)C2)CC1 ZINC000555879169 438778382 /nfs/dbraw/zinc/77/83/82/438778382.db2.gz VVEHNOUTBKNSOZ-HOTGVXAUSA-N 1 1 349.479 0.231 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)CC1 ZINC000555879169 438778384 /nfs/dbraw/zinc/77/83/84/438778384.db2.gz VVEHNOUTBKNSOZ-HOTGVXAUSA-N 1 1 349.479 0.231 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H]2CCC(=O)N(C)C2)CC1 ZINC000555879171 438778471 /nfs/dbraw/zinc/77/84/71/438778471.db2.gz VVEHNOUTBKNSOZ-JKSUJKDBSA-N 1 1 349.479 0.231 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)CC1 ZINC000555879171 438778474 /nfs/dbraw/zinc/77/84/74/438778474.db2.gz VVEHNOUTBKNSOZ-JKSUJKDBSA-N 1 1 349.479 0.231 20 30 ECEDMO N#Cc1ccncc1N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000576531844 438786865 /nfs/dbraw/zinc/78/68/65/438786865.db2.gz SYTAJJDVBHRRFQ-UHFFFAOYSA-N 1 1 328.376 0.017 20 30 ECEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H](N4CCNC4=O)C3)cnc12 ZINC000576519229 438786867 /nfs/dbraw/zinc/78/68/67/438786867.db2.gz CDRBARVZXOGMFX-CQSZACIVSA-N 1 1 325.376 0.591 20 30 ECEDMO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H](N4CCNC4=O)C3)cnc12 ZINC000576519229 438786871 /nfs/dbraw/zinc/78/68/71/438786871.db2.gz CDRBARVZXOGMFX-CQSZACIVSA-N 1 1 325.376 0.591 20 30 ECEDMO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000556855756 438792971 /nfs/dbraw/zinc/79/29/71/438792971.db2.gz BJHWNZKCGIFHLO-UHFFFAOYSA-N 1 1 331.420 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)CCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595523211 438813723 /nfs/dbraw/zinc/81/37/23/438813723.db2.gz PRBXPSYDBLUDCM-NVXWUHKLSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@@H]1CN(CCO)CC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595523211 438813729 /nfs/dbraw/zinc/81/37/29/438813729.db2.gz PRBXPSYDBLUDCM-NVXWUHKLSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@@H]1CN(CCO)CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595523211 438813734 /nfs/dbraw/zinc/81/37/34/438813734.db2.gz PRBXPSYDBLUDCM-NVXWUHKLSA-N 1 1 333.432 0.491 20 30 ECEDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000595543782 438821766 /nfs/dbraw/zinc/82/17/66/438821766.db2.gz KQVROOYAUUAEEI-CVEARBPZSA-N 1 1 331.416 0.902 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](Nc2nc(C)ccc2C#N)CC1=O ZINC000601178055 438827310 /nfs/dbraw/zinc/82/73/10/438827310.db2.gz JRGLOUCJOHFCSO-OAHLLOKOSA-N 1 1 331.420 0.853 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Cn3ccnn3)C2)nc1 ZINC000595608798 438835063 /nfs/dbraw/zinc/83/50/63/438835063.db2.gz WOHZJCFDIIRWLE-CQSZACIVSA-N 1 1 346.416 0.341 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Cn3ccnn3)C2)nc1 ZINC000595608798 438835068 /nfs/dbraw/zinc/83/50/68/438835068.db2.gz WOHZJCFDIIRWLE-CQSZACIVSA-N 1 1 346.416 0.341 20 30 ECEDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000595665504 438843666 /nfs/dbraw/zinc/84/36/66/438843666.db2.gz XXKIHBUWLXAOOX-SOUVJXGZSA-N 1 1 329.356 0.584 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000590204140 438901469 /nfs/dbraw/zinc/90/14/69/438901469.db2.gz JIHHWDVVHAAULW-HNNXBMFYSA-N 1 1 341.415 0.816 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)nn1 ZINC000562982056 438856342 /nfs/dbraw/zinc/85/63/42/438856342.db2.gz NOEMZWXIWNYUHS-OAHLLOKOSA-N 1 1 327.392 0.715 20 30 ECEDMO N#CCCN(CCC#N)C(=O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595865104 438872109 /nfs/dbraw/zinc/87/21/09/438872109.db2.gz FOXNXKINOLXDHW-INIZCTEOSA-N 1 1 333.436 0.173 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000590415966 438920630 /nfs/dbraw/zinc/92/06/30/438920630.db2.gz UKXKQKCWOHKRSQ-HNNXBMFYSA-N 1 1 329.404 0.180 20 30 ECEDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000601742679 438964349 /nfs/dbraw/zinc/96/43/49/438964349.db2.gz XPNIKNHZYWRXGZ-VXGBXAGGSA-N 1 1 332.408 0.929 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(OC)c1 ZINC000459719838 438992272 /nfs/dbraw/zinc/99/22/72/438992272.db2.gz YEAAJKZNLMFFMX-OAGGEKHMSA-N 1 1 337.416 0.448 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(OC)c1 ZINC000459719835 438994419 /nfs/dbraw/zinc/99/44/19/438994419.db2.gz YEAAJKZNLMFFMX-ARFHVFGLSA-N 1 1 337.416 0.448 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000602040140 439001969 /nfs/dbraw/zinc/00/19/69/439001969.db2.gz WHIHYVHIDQIUPE-HZMBPMFUSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000602040140 439001974 /nfs/dbraw/zinc/00/19/74/439001974.db2.gz WHIHYVHIDQIUPE-HZMBPMFUSA-N 1 1 334.351 0.471 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)nc1 ZINC000602080790 439007848 /nfs/dbraw/zinc/00/78/48/439007848.db2.gz YOWYBCBJRPXMQL-CVEARBPZSA-N 1 1 341.415 0.465 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)CC2 ZINC000519760157 439059623 /nfs/dbraw/zinc/05/96/23/439059623.db2.gz SFFUNPZVHWSFDQ-INIZCTEOSA-N 1 1 345.447 0.828 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)[N@@H+](C)C1CC1 ZINC000566205316 439024989 /nfs/dbraw/zinc/02/49/89/439024989.db2.gz OMYGPEZFCSQGKH-ZDUSSCGKSA-N 1 1 328.416 0.968 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000566205475 439025957 /nfs/dbraw/zinc/02/59/57/439025957.db2.gz UHTLWCBQBKELEJ-CZUORRHYSA-N 1 1 328.416 0.968 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000591726545 439078685 /nfs/dbraw/zinc/07/86/85/439078685.db2.gz KYOJRHLDNDDJEQ-CABCVRRESA-N 1 1 334.445 0.943 20 30 ECEDMO COc1cc2[nH+]c(N3CC[C@](O)(CC#N)C3)nc(N)c2cc1OC ZINC000591977433 439126921 /nfs/dbraw/zinc/12/69/21/439126921.db2.gz YXEHUIHUPZQJJS-MRXNPFEDSA-N 1 1 329.360 1.084 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)ncc1C#N ZINC000567749459 439173242 /nfs/dbraw/zinc/17/32/42/439173242.db2.gz LCMSMDUHICPMOV-AWEZNQCLSA-N 1 1 345.403 0.163 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000592184190 439173478 /nfs/dbraw/zinc/17/34/78/439173478.db2.gz FJEJHUTWMZCFJQ-UONOGXRCSA-N 1 1 346.353 0.795 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000592184190 439173484 /nfs/dbraw/zinc/17/34/84/439173484.db2.gz FJEJHUTWMZCFJQ-UONOGXRCSA-N 1 1 346.353 0.795 20 30 ECEDMO COC(=O)c1cccc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1C#N ZINC000602938629 439163846 /nfs/dbraw/zinc/16/38/46/439163846.db2.gz YHSYXSKUZNGICY-HDICACEKSA-N 1 1 341.367 0.829 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)Cn1cc(COc2ccccc2C#N)nn1 ZINC000603258931 439222027 /nfs/dbraw/zinc/22/20/27/439222027.db2.gz KCDWCRMOASONRY-INIZCTEOSA-N 1 1 345.403 0.668 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000592204277 439181195 /nfs/dbraw/zinc/18/11/95/439181195.db2.gz AQPPSXRVOQCXRJ-KFWWJZLASA-N 1 1 334.372 0.154 20 30 ECEDMO CC(C)CN1C[C@@H]2C[N@@H+](CCC(=O)N(C)CCC#N)CCN2C1=O ZINC000488789494 439202080 /nfs/dbraw/zinc/20/20/80/439202080.db2.gz ZYPJXNLOWWMTMZ-HNNXBMFYSA-N 1 1 335.452 0.826 20 30 ECEDMO N#CCc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000592335594 439206645 /nfs/dbraw/zinc/20/66/45/439206645.db2.gz ZVRDIDOQWSUKRH-KRWDZBQOSA-N 1 1 340.427 0.969 20 30 ECEDMO C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590080 439281924 /nfs/dbraw/zinc/28/19/24/439281924.db2.gz WWGDLEFGDNPAHA-IXDOHACOSA-N 1 1 338.496 0.624 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)C1CC1 ZINC000581840053 439256299 /nfs/dbraw/zinc/25/62/99/439256299.db2.gz CHQWMSJUAZJELL-ZWKOTPCHSA-N 1 1 348.447 0.244 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)C1CC1 ZINC000581840053 439256304 /nfs/dbraw/zinc/25/63/04/439256304.db2.gz CHQWMSJUAZJELL-ZWKOTPCHSA-N 1 1 348.447 0.244 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc1 ZINC000603408099 439256624 /nfs/dbraw/zinc/25/66/24/439256624.db2.gz BMJPWKZKEBLKLV-INIZCTEOSA-N 1 1 343.431 0.480 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)n(CCC#N)n1 ZINC000527149800 439257459 /nfs/dbraw/zinc/25/74/59/439257459.db2.gz OMNKKJBJMRQOSJ-CHWSQXEVSA-N 1 1 332.408 0.595 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)n(CCC#N)n1 ZINC000527149800 439257464 /nfs/dbraw/zinc/25/74/64/439257464.db2.gz OMNKKJBJMRQOSJ-CHWSQXEVSA-N 1 1 332.408 0.595 20 30 ECEDMO N#Cc1ccccc1OCC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598451582 439264387 /nfs/dbraw/zinc/26/43/87/439264387.db2.gz BSBSTYWRAFGASC-INIZCTEOSA-N 1 1 329.400 0.995 20 30 ECEDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000569333059 439323782 /nfs/dbraw/zinc/32/37/82/439323782.db2.gz PGDAOPMJXDUTNS-WMZOPIPTSA-N 1 1 346.475 0.718 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000491070732 439328832 /nfs/dbraw/zinc/32/88/32/439328832.db2.gz DWRBBALCBBUNJM-QGZVFWFLSA-N 1 1 345.443 0.102 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000491122600 439335842 /nfs/dbraw/zinc/33/58/42/439335842.db2.gz WWVOUPXJSKEUAP-UHFFFAOYSA-N 1 1 331.420 0.784 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000598620115 439290083 /nfs/dbraw/zinc/29/00/83/439290083.db2.gz YSJYMMOYIHLOBT-KGLIPLIRSA-N 1 1 328.420 1.516 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000490759680 439295140 /nfs/dbraw/zinc/29/51/40/439295140.db2.gz DRSMVTBAEANOEU-OAHLLOKOSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[N@H+](C)CC23CCCCC3)CC1 ZINC000490759923 439295764 /nfs/dbraw/zinc/29/57/64/439295764.db2.gz IASKWDZDWUUTIS-UHFFFAOYSA-N 1 1 332.492 0.714 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCN(C)CC23CCCCC3)CC1 ZINC000490759923 439295769 /nfs/dbraw/zinc/29/57/69/439295769.db2.gz IASKWDZDWUUTIS-UHFFFAOYSA-N 1 1 332.492 0.714 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCN(C)CC23CCCCC3)CC1 ZINC000490759923 439295774 /nfs/dbraw/zinc/29/57/74/439295774.db2.gz IASKWDZDWUUTIS-UHFFFAOYSA-N 1 1 332.492 0.714 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)N(CC)CC)CC1 ZINC000490780704 439297301 /nfs/dbraw/zinc/29/73/01/439297301.db2.gz PNCZOCHJFPFPRY-MRXNPFEDSA-N 1 1 334.464 0.097 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(CC)CC)CC1 ZINC000490780704 439297306 /nfs/dbraw/zinc/29/73/06/439297306.db2.gz PNCZOCHJFPFPRY-MRXNPFEDSA-N 1 1 334.464 0.097 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(Oc3ccccn3)CC2)CC1 ZINC000490865349 439304556 /nfs/dbraw/zinc/30/45/56/439304556.db2.gz BILOKZICYMGKDQ-UHFFFAOYSA-N 1 1 342.443 0.702 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2ccccc2C#N)CC1 ZINC000569788657 439361142 /nfs/dbraw/zinc/36/11/42/439361142.db2.gz QPFPIWMEAAFURS-QGZVFWFLSA-N 1 1 332.448 0.619 20 30 ECEDMO COC[C@@]1(CO)CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528519674 439344672 /nfs/dbraw/zinc/34/46/72/439344672.db2.gz MTSDSJNHIYIKIT-IBGZPJMESA-N 1 1 342.395 0.617 20 30 ECEDMO COCCOCC[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000593115328 439346324 /nfs/dbraw/zinc/34/63/24/439346324.db2.gz IDHMDEJRDVAWSQ-KRWDZBQOSA-N 1 1 338.452 0.075 20 30 ECEDMO N#Cc1ncn(CCNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000599061239 439349536 /nfs/dbraw/zinc/34/95/36/439349536.db2.gz PCVORTCPPWNSIL-AWEZNQCLSA-N 1 1 331.424 0.856 20 30 ECEDMO C#CCNC(=O)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000491209764 439350427 /nfs/dbraw/zinc/35/04/27/439350427.db2.gz LKILGBJZAXLHOF-LJQANCHMSA-N 1 1 340.471 0.628 20 30 ECEDMO C#C[C@H]1COCCN1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000491371033 439372539 /nfs/dbraw/zinc/37/25/39/439372539.db2.gz CCOQRUKGBRGROT-ROUUACIJSA-N 1 1 343.427 0.797 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000491375120 439374503 /nfs/dbraw/zinc/37/45/03/439374503.db2.gz UNSLWCUYHVBLCM-AWEZNQCLSA-N 1 1 344.481 0.007 20 30 ECEDMO C#CCNC(=O)CCN1CCC[C@H]([N@H+](C)CCC(=O)NCC#C)CC1 ZINC000491425577 439380192 /nfs/dbraw/zinc/38/01/92/439380192.db2.gz ATLGTNZLVUEMGL-KRWDZBQOSA-N 1 1 346.475 0.052 20 30 ECEDMO C#CCNC(=O)CCN1CCC[C@H]([N@@H+](C)CCC(=O)NCC#C)CC1 ZINC000491425577 439380195 /nfs/dbraw/zinc/38/01/95/439380195.db2.gz ATLGTNZLVUEMGL-KRWDZBQOSA-N 1 1 346.475 0.052 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000593537462 439395700 /nfs/dbraw/zinc/39/57/00/439395700.db2.gz KOYOIUTWPXKXML-LBPRGKRZSA-N 1 1 349.412 0.860 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000593537462 439395705 /nfs/dbraw/zinc/39/57/05/439395705.db2.gz KOYOIUTWPXKXML-LBPRGKRZSA-N 1 1 349.412 0.860 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC000491624464 439415149 /nfs/dbraw/zinc/41/51/49/439415149.db2.gz GPSKLHWNGRQUMD-UHFFFAOYSA-N 1 1 341.477 0.694 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC000491624464 439415154 /nfs/dbraw/zinc/41/51/54/439415154.db2.gz GPSKLHWNGRQUMD-UHFFFAOYSA-N 1 1 341.477 0.694 20 30 ECEDMO Cn1cc(C#N)c(=O)n(Cc2ccc(C[NH+]3CCOCC3)cc2)c1=O ZINC000570440249 439421465 /nfs/dbraw/zinc/42/14/65/439421465.db2.gz XWBFEIUMRVTDCY-UHFFFAOYSA-N 1 1 340.383 0.299 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000570580468 439431493 /nfs/dbraw/zinc/43/14/93/439431493.db2.gz XGPOGLJZGSGUHQ-KBPBESRZSA-N 1 1 338.452 0.572 20 30 ECEDMO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599397131 439455858 /nfs/dbraw/zinc/45/58/58/439455858.db2.gz UVTHMSBWXKMNGR-CVEARBPZSA-N 1 1 325.453 0.710 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000491741427 439438464 /nfs/dbraw/zinc/43/84/64/439438464.db2.gz FSENJQBLWNCHAH-ZDUSSCGKSA-N 1 1 327.384 0.742 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000491754905 439442322 /nfs/dbraw/zinc/44/23/22/439442322.db2.gz WKJPRKDENZLLRO-SRVKXCTJSA-N 1 1 331.338 0.467 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000530335793 439498672 /nfs/dbraw/zinc/49/86/72/439498672.db2.gz XCUCBNBKXSTXMO-CYBMUJFWSA-N 1 1 333.436 0.817 20 30 ECEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 ZINC000533460164 439525754 /nfs/dbraw/zinc/52/57/54/439525754.db2.gz WNUXOZMWWPZCGU-AWEZNQCLSA-N 1 1 346.435 0.844 20 30 ECEDMO COc1cc(/C=C/C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1OCC#N ZINC000492582112 439550159 /nfs/dbraw/zinc/55/01/59/439550159.db2.gz OQQMZAJZXOPOMN-JXTAAOLFSA-N 1 1 345.399 0.794 20 30 ECEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000584220048 439563389 /nfs/dbraw/zinc/56/33/89/439563389.db2.gz HTQMGUPHZKWLGE-CABCVRRESA-N 1 1 333.436 0.879 20 30 ECEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000584220048 439563393 /nfs/dbraw/zinc/56/33/93/439563393.db2.gz HTQMGUPHZKWLGE-CABCVRRESA-N 1 1 333.436 0.879 20 30 ECEDMO CC(C)[C@@H](C#N)N1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000609539042 439576418 /nfs/dbraw/zinc/57/64/18/439576418.db2.gz QOVWVXSDXHWFEX-CQSZACIVSA-N 1 1 335.452 0.873 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000584599194 439603347 /nfs/dbraw/zinc/60/33/47/439603347.db2.gz SCOOENVTLQXQAW-DLBZAZTESA-N 1 1 333.432 0.539 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000585683034 439643437 /nfs/dbraw/zinc/64/34/37/439643437.db2.gz FKCSWPGCDKDWAO-CQSZACIVSA-N 1 1 344.415 0.574 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000585803607 439655136 /nfs/dbraw/zinc/65/51/36/439655136.db2.gz UCGMGSAIKJRWKQ-KRWDZBQOSA-N 1 1 343.387 0.674 20 30 ECEDMO CCN(C(=O)C(=O)Nc1cc(C)nn1CCC#N)[C@H]1CC[N@@H+](CC)C1 ZINC000595132138 439659689 /nfs/dbraw/zinc/65/96/89/439659689.db2.gz SSUUSBNIYBXLMS-AWEZNQCLSA-N 1 1 346.435 0.986 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000595150269 439661992 /nfs/dbraw/zinc/66/19/92/439661992.db2.gz RUZIZWLEFUPAIX-UHFFFAOYSA-N 1 1 325.478 0.966 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595165920 439666096 /nfs/dbraw/zinc/66/60/96/439666096.db2.gz LDRIKYCPMXZJPV-KBXCAEBGSA-N 1 1 348.447 0.460 20 30 ECEDMO N#CCCCS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000594819577 439620704 /nfs/dbraw/zinc/62/07/04/439620704.db2.gz LCSBPFWLFUGHTH-MRXNPFEDSA-N 1 1 337.445 0.976 20 30 ECEDMO CN(CC(=O)N(C)C1(C#N)CCCCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000611522578 439703674 /nfs/dbraw/zinc/70/36/74/439703674.db2.gz KDMFPDLAXUUPET-UHFFFAOYSA-N 1 1 349.479 0.377 20 30 ECEDMO C[C@@](O)(C[C@H](O)C[NH+]1CCN(c2ncccc2C#N)CC1)C1CC1 ZINC000600846074 439709439 /nfs/dbraw/zinc/70/94/39/439709439.db2.gz LORQAWJMRNIXES-FUHWJXTLSA-N 1 1 330.432 0.987 20 30 ECEDMO N#Cc1ccsc1NC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595214619 439675005 /nfs/dbraw/zinc/67/50/05/439675005.db2.gz IYSIWBFNHGFOFB-ZDUSSCGKSA-N 1 1 348.428 0.616 20 30 ECEDMO COC(=O)Cn1cc(CC[NH+]2CCN([C@@H](C#N)C(C)C)CC2)nn1 ZINC000611432210 439697005 /nfs/dbraw/zinc/69/70/05/439697005.db2.gz PKVLDFXQBOTAFK-HNNXBMFYSA-N 1 1 334.424 0.159 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)CN1CCCCC1 ZINC000600739143 439697664 /nfs/dbraw/zinc/69/76/64/439697664.db2.gz PZBWSSPJPLMLSW-IRXDYDNUSA-N 1 1 333.432 0.734 20 30 ECEDMO C=C[C@@H](O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000612054445 439745305 /nfs/dbraw/zinc/74/53/05/439745305.db2.gz TXHZIMZZJIVQQO-MRXNPFEDSA-N 1 1 331.416 0.879 20 30 ECEDMO N#C[C@@]1(F)CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000615536833 439801956 /nfs/dbraw/zinc/80/19/56/439801956.db2.gz LFNSHKCRBWPNJM-WFASDCNBSA-N 1 1 325.388 0.221 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@](F)(C#N)C2)CC1=O ZINC000615591827 439802955 /nfs/dbraw/zinc/80/29/55/439802955.db2.gz RIZGARMMDCCBSJ-CPUCHLNUSA-N 1 1 336.411 0.783 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@](F)(C#N)C1 ZINC000615546788 439802404 /nfs/dbraw/zinc/80/24/04/439802404.db2.gz RRKRDZNACZDOES-BBRMVZONSA-N 1 1 339.415 0.576 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000658675465 440060067 /nfs/dbraw/zinc/06/00/67/440060067.db2.gz ULNGGHHMVJOWTK-DLBZAZTESA-N 1 1 349.475 0.982 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000658812147 440129438 /nfs/dbraw/zinc/12/94/38/440129438.db2.gz XJKNZRCAKSMPSZ-OWCLPIDISA-N 1 1 337.464 0.715 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000658812147 440129442 /nfs/dbraw/zinc/12/94/42/440129442.db2.gz XJKNZRCAKSMPSZ-OWCLPIDISA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000627980786 440376020 /nfs/dbraw/zinc/37/60/20/440376020.db2.gz YMZROOWSSLTNDP-CQSZACIVSA-N 1 1 333.388 0.373 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703344 440765792 /nfs/dbraw/zinc/76/57/92/440765792.db2.gz RJGXMRVSEWBNTG-UKRRQHHQSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703344 440765798 /nfs/dbraw/zinc/76/57/98/440765798.db2.gz RJGXMRVSEWBNTG-UKRRQHHQSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000661379447 440845237 /nfs/dbraw/zinc/84/52/37/440845237.db2.gz BYDGAWQLHUZBFA-NEPJUHHUSA-N 1 1 334.420 0.526 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000657559957 441019871 /nfs/dbraw/zinc/01/98/71/441019871.db2.gz ZNVFAGZPAFFLNU-INIZCTEOSA-N 1 1 336.480 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@]3(C)CCCS3(=O)=O)C2)C1 ZINC001041736832 782085742 /nfs/dbraw/zinc/08/57/42/782085742.db2.gz ZENHEEQYCBHKET-IRXDYDNUSA-N 1 1 338.473 0.901 20 30 ECEDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564085268 322361454 /nfs/dbraw/zinc/36/14/54/322361454.db2.gz JWAAYUMXMOYPBO-CZUORRHYSA-N 1 1 326.404 0.896 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001041743806 782104214 /nfs/dbraw/zinc/10/42/14/782104214.db2.gz OHESRZRTOZBASS-QGZVFWFLSA-N 1 1 334.420 0.429 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC001041755538 782134271 /nfs/dbraw/zinc/13/42/71/782134271.db2.gz PSUFGVWENGJVJR-IBGZPJMESA-N 1 1 342.443 0.808 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)C1 ZINC001041765745 782158236 /nfs/dbraw/zinc/15/82/36/782158236.db2.gz RHSPGEBJMCYDGY-YJBOKZPZSA-N 1 1 343.431 0.486 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)C1 ZINC001041765742 782158431 /nfs/dbraw/zinc/15/84/31/782158431.db2.gz RHSPGEBJMCYDGY-CRAIPNDOSA-N 1 1 343.431 0.486 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)[N@H+](C)C1 ZINC000328997703 546012698 /nfs/dbraw/zinc/01/26/98/546012698.db2.gz UWKNWOBDOYBISF-IHRRRGAJSA-N 1 1 349.435 0.425 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)[N@@H+](C)C1 ZINC000328997703 546012702 /nfs/dbraw/zinc/01/27/02/546012702.db2.gz UWKNWOBDOYBISF-IHRRRGAJSA-N 1 1 349.435 0.425 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)[N@H+](C)C1 ZINC000329114516 546014272 /nfs/dbraw/zinc/01/42/72/546014272.db2.gz HUMUZFILXOOPFW-XQQFMLRXSA-N 1 1 335.408 0.591 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)[N@@H+](C)C1 ZINC000329114516 546014277 /nfs/dbraw/zinc/01/42/77/546014277.db2.gz HUMUZFILXOOPFW-XQQFMLRXSA-N 1 1 335.408 0.591 20 30 ECEDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCn2cncn2)C[C@@H](C)O1 ZINC000329134333 546015376 /nfs/dbraw/zinc/01/53/76/546015376.db2.gz ZPTNAPRLFAMNML-KFWWJZLASA-N 1 1 336.440 0.766 20 30 ECEDMO C[C@H](CN1CC[NH+](C)CC1)[NH+]=C([O-])N1CCC[C@@H](n2cncn2)C1 ZINC000329809973 546034326 /nfs/dbraw/zinc/03/43/26/546034326.db2.gz QLLIJBSOJWEWRG-HUUCEWRRSA-N 1 1 335.456 0.465 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 ZINC000619573140 546342689 /nfs/dbraw/zinc/34/26/89/546342689.db2.gz VUSNUYATVAASGE-UHFFFAOYSA-N 1 1 345.428 0.997 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000625331054 547071534 /nfs/dbraw/zinc/07/15/34/547071534.db2.gz CYDSEZZTQUBSTG-AWEZNQCLSA-N 1 1 335.367 0.825 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000625331054 547071538 /nfs/dbraw/zinc/07/15/38/547071538.db2.gz CYDSEZZTQUBSTG-AWEZNQCLSA-N 1 1 335.367 0.825 20 30 ECEDMO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)C1(CO)CCOCC1 ZINC000625368245 547078717 /nfs/dbraw/zinc/07/87/17/547078717.db2.gz JCROJPARHDGZTR-UHFFFAOYSA-N 1 1 342.395 0.759 20 30 ECEDMO C=C(C)[C@@H](CO)[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000677048307 548894848 /nfs/dbraw/zinc/89/48/48/548894848.db2.gz UUKJTLHZMXPMOV-OAHLLOKOSA-N 1 1 333.436 0.372 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](CCC(=O)OCC)CC2CC2)CC1 ZINC000748814493 579329405 /nfs/dbraw/zinc/32/94/05/579329405.db2.gz CMOFTCFFEGYZJQ-UHFFFAOYSA-N 1 1 335.448 0.429 20 30 ECEDMO N#CCCNC(=O)C[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759900796 579500346 /nfs/dbraw/zinc/50/03/46/579500346.db2.gz QXUZWJGQFKTXCL-CYBMUJFWSA-N 1 1 327.388 0.549 20 30 ECEDMO N#CCCNC(=O)C[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759900796 579500347 /nfs/dbraw/zinc/50/03/47/579500347.db2.gz QXUZWJGQFKTXCL-CYBMUJFWSA-N 1 1 327.388 0.549 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759911645 579500638 /nfs/dbraw/zinc/50/06/38/579500638.db2.gz OZLQBSUDNIQBDN-KGLIPLIRSA-N 1 1 326.400 0.657 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759911645 579500639 /nfs/dbraw/zinc/50/06/39/579500639.db2.gz OZLQBSUDNIQBDN-KGLIPLIRSA-N 1 1 326.400 0.657 20 30 ECEDMO N#CCOc1ccccc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000728077909 578287267 /nfs/dbraw/zinc/28/72/67/578287267.db2.gz PYZVBSRHUXHMOO-AWEZNQCLSA-N 1 1 344.415 0.906 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000730105964 578303468 /nfs/dbraw/zinc/30/34/68/578303468.db2.gz RYGAMWXMQCBLKR-INIZCTEOSA-N 1 1 334.464 0.191 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)NCCNc2ncccc2C#N)C1 ZINC000736665465 578444663 /nfs/dbraw/zinc/44/46/63/578444663.db2.gz QHCULCPDEVWPGX-AWEZNQCLSA-N 1 1 332.408 0.385 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000780932671 578702783 /nfs/dbraw/zinc/70/27/83/578702783.db2.gz CGTVBCCVFGSURF-ULQDDVLXSA-N 1 1 329.400 0.649 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780939197 578703278 /nfs/dbraw/zinc/70/32/78/578703278.db2.gz HZPIGQVSAKBQLH-MAUKXSAKSA-N 1 1 344.459 0.981 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000783304790 578741057 /nfs/dbraw/zinc/74/10/57/578741057.db2.gz YTELXEJPXVWXDS-OAHLLOKOSA-N 1 1 343.493 0.961 20 30 ECEDMO C=C(Br)C[NH2+]C1(CC(=O)OC)CCS(=O)(=O)CC1 ZINC000784399784 578751476 /nfs/dbraw/zinc/75/14/76/578751476.db2.gz RZPAAXDDELLBIW-UHFFFAOYSA-N 1 1 340.239 0.995 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000784616753 578754914 /nfs/dbraw/zinc/75/49/14/578754914.db2.gz ZKSCLJQENUGHDX-CJNGLKHVSA-N 1 1 345.399 0.687 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000787347133 578805409 /nfs/dbraw/zinc/80/54/09/578805409.db2.gz WHRSJYUYKCABPS-HZPDHXFCSA-N 1 1 342.399 0.154 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000789358511 578852640 /nfs/dbraw/zinc/85/26/40/578852640.db2.gz SQWATWNHBSHQIA-HNNXBMFYSA-N 1 1 329.466 0.013 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000770302172 579164295 /nfs/dbraw/zinc/16/42/95/579164295.db2.gz KDIDPWTZQFIUKQ-BBRMVZONSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000770302172 579164296 /nfs/dbraw/zinc/16/42/96/579164296.db2.gz KDIDPWTZQFIUKQ-BBRMVZONSA-N 1 1 345.399 0.472 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@H]1CCCO1 ZINC000775792282 579271405 /nfs/dbraw/zinc/27/14/05/579271405.db2.gz ZPJXNVBPTVMDBL-YESZJQIVSA-N 1 1 332.448 0.449 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCCO1 ZINC000775798530 579271591 /nfs/dbraw/zinc/27/15/91/579271591.db2.gz KACUPFHRPYJFHV-OLZOCXBDSA-N 1 1 345.355 0.834 20 30 ECEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000776593846 579285689 /nfs/dbraw/zinc/28/56/89/579285689.db2.gz NMOVRAOCLKQNCY-IAGOWNOFSA-N 1 1 349.475 0.818 20 30 ECEDMO N#CC1(c2ccc(C(=O)NC3CC[NH+](CC(N)=O)CC3)cc2)CC1 ZINC000776967273 579291226 /nfs/dbraw/zinc/29/12/26/579291226.db2.gz GANFKIYJKCTBQT-UHFFFAOYSA-N 1 1 326.400 0.921 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)OCCCCn2cc[nH+]c2C)C1=O ZINC000778792393 579311169 /nfs/dbraw/zinc/31/11/69/579311169.db2.gz KHPLOSCBDILRMW-UHFFFAOYSA-N 1 1 348.359 0.492 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000761031181 579519786 /nfs/dbraw/zinc/51/97/86/579519786.db2.gz OWMZUJKPRRZOOM-UHFFFAOYSA-N 1 1 337.445 0.323 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000739949192 579723570 /nfs/dbraw/zinc/72/35/70/579723570.db2.gz MYBVKGINCKERMD-CHWSQXEVSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000739949192 579723571 /nfs/dbraw/zinc/72/35/71/579723571.db2.gz MYBVKGINCKERMD-CHWSQXEVSA-N 1 1 339.392 0.839 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000744343912 579808751 /nfs/dbraw/zinc/80/87/51/579808751.db2.gz QVHPUURZHDEFFK-UHFFFAOYSA-N 1 1 329.400 0.545 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2C[C@H](C)C[C@H]2CC)c1=O ZINC000744443511 579809679 /nfs/dbraw/zinc/80/96/79/579809679.db2.gz KRXZXLSRYGNUMX-ZIAGYGMSSA-N 1 1 334.420 0.622 20 30 ECEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746274553 579835000 /nfs/dbraw/zinc/83/50/00/579835000.db2.gz YABCNOZIVGOONU-WPCFGXOUSA-N 1 1 334.420 0.703 20 30 ECEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746354223 579836612 /nfs/dbraw/zinc/83/66/12/579836612.db2.gz PFJZPUQVONUPQJ-OKILXGFUSA-N 1 1 346.435 0.829 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC000836491238 588931564 /nfs/dbraw/zinc/93/15/64/588931564.db2.gz LVQLMBFPPYDJPV-UHFFFAOYSA-N 1 1 337.445 0.844 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000836488240 588931580 /nfs/dbraw/zinc/93/15/80/588931580.db2.gz UUMHPODOXKWDEV-UHFFFAOYSA-N 1 1 349.479 0.875 20 30 ECEDMO C#CC[C@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C(=O)OC ZINC000837939626 588966057 /nfs/dbraw/zinc/96/60/57/588966057.db2.gz FMQOSEHPJXXMJS-IRXDYDNUSA-N 1 1 343.427 0.656 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1 ZINC000841253407 588984928 /nfs/dbraw/zinc/98/49/28/588984928.db2.gz PIGVJZAVGMRQAF-QGZVFWFLSA-N 1 1 333.363 0.797 20 30 ECEDMO C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)[C@@H](C)C[N@@H+]1CCO ZINC000841457791 588988768 /nfs/dbraw/zinc/98/87/68/588988768.db2.gz WGOOGGNNXGIXOB-KGLIPLIRSA-N 1 1 330.384 0.680 20 30 ECEDMO C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)[C@@H](C)C[N@H+]1CCO ZINC000841457791 588988770 /nfs/dbraw/zinc/98/87/70/588988770.db2.gz WGOOGGNNXGIXOB-KGLIPLIRSA-N 1 1 330.384 0.680 20 30 ECEDMO CCC(=NNC1=[NH+]CCN1)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000841661770 588997050 /nfs/dbraw/zinc/99/70/50/588997050.db2.gz RWHCRWOXEZXZML-UHFFFAOYSA-N 1 1 329.813 0.650 20 30 ECEDMO C#CC1(O)CN(C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000890527375 586052268 /nfs/dbraw/zinc/05/22/68/586052268.db2.gz RLDWIESRPKIMTJ-HZPDHXFCSA-N 1 1 330.432 0.441 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1c2ccccc2OC[C@H]1CO ZINC000895057291 586158731 /nfs/dbraw/zinc/15/87/31/586158731.db2.gz UFCHIHLLJOGAAS-RHSMWYFYSA-N 1 1 331.416 0.983 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cccc(C#N)n3)CC2)CC1 ZINC000896233643 586230193 /nfs/dbraw/zinc/23/01/93/586230193.db2.gz ZCNMAQAMNHYCMN-UHFFFAOYSA-N 1 1 342.403 0.078 20 30 ECEDMO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896562178 586255768 /nfs/dbraw/zinc/25/57/68/586255768.db2.gz FQZTWLBHHHYAQF-XJKSGUPXSA-N 1 1 343.431 0.039 20 30 ECEDMO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896562178 586255772 /nfs/dbraw/zinc/25/57/72/586255772.db2.gz FQZTWLBHHHYAQF-XJKSGUPXSA-N 1 1 343.431 0.039 20 30 ECEDMO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896562178 586255774 /nfs/dbraw/zinc/25/57/74/586255774.db2.gz FQZTWLBHHHYAQF-XJKSGUPXSA-N 1 1 343.431 0.039 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896577337 586259284 /nfs/dbraw/zinc/25/92/84/586259284.db2.gz NMAJKIDJZADVQA-ZFWWWQNUSA-N 1 1 346.431 0.696 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 ZINC000897293736 586295224 /nfs/dbraw/zinc/29/52/24/586295224.db2.gz DMQYGRCQFUSEDY-CQSZACIVSA-N 1 1 348.476 0.936 20 30 ECEDMO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@]1(OC)CCS(=O)(=O)C1 ZINC000892862793 586296818 /nfs/dbraw/zinc/29/68/18/586296818.db2.gz GVNKNZGKSWXHRO-ZFWWWQNUSA-N 1 1 331.434 0.467 20 30 ECEDMO C#CC1(O)CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000894438418 586394058 /nfs/dbraw/zinc/39/40/58/586394058.db2.gz SBMPIICGIGBBKE-KRWDZBQOSA-N 1 1 343.427 0.667 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3(C#N)CCCC3)CC2)CC1 ZINC000900613482 586648458 /nfs/dbraw/zinc/64/84/58/586648458.db2.gz SWCCUIVZDXEHOK-UHFFFAOYSA-N 1 1 333.436 0.582 20 30 ECEDMO C[NH+]1CCN(c2ncc(C=Nn3nnc4c3CCCC4)cn2)CC1 ZINC000901331752 586707177 /nfs/dbraw/zinc/70/71/77/586707177.db2.gz WCSQOGMZDIHBOP-UHFFFAOYSA-N 1 1 326.408 0.581 20 30 ECEDMO N#Cc1ccc([C@@H](NC[C@H]2CC[N@H+]2C2CCOCC2)C(N)=O)cc1 ZINC000901629071 586712836 /nfs/dbraw/zinc/71/28/36/586712836.db2.gz BIJIDNAKNCGGMH-IAGOWNOFSA-N 1 1 328.416 0.928 20 30 ECEDMO N#Cc1ccc([C@@H]([NH2+]C[C@H]2CCN2C2CCOCC2)C(N)=O)cc1 ZINC000901629071 586712837 /nfs/dbraw/zinc/71/28/37/586712837.db2.gz BIJIDNAKNCGGMH-IAGOWNOFSA-N 1 1 328.416 0.928 20 30 ECEDMO CON(C)C(=O)C1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000843408805 589066105 /nfs/dbraw/zinc/06/61/05/589066105.db2.gz HJFJMUMOKIJXQF-UHFFFAOYSA-N 1 1 328.376 0.833 20 30 ECEDMO COc1ccc(CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1C#N ZINC000838524030 586811351 /nfs/dbraw/zinc/81/13/51/586811351.db2.gz DMJWVNDVXYYPOF-ZDUSSCGKSA-N 1 1 332.404 0.775 20 30 ECEDMO COc1ccc(CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1C#N ZINC000838524030 586811352 /nfs/dbraw/zinc/81/13/52/586811352.db2.gz DMJWVNDVXYYPOF-ZDUSSCGKSA-N 1 1 332.404 0.775 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1C ZINC000839170592 586839899 /nfs/dbraw/zinc/83/98/99/586839899.db2.gz OQFHYMZUXJLYTP-DOTOQJQBSA-N 1 1 331.416 0.835 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1C ZINC000839170592 586839901 /nfs/dbraw/zinc/83/99/01/586839901.db2.gz OQFHYMZUXJLYTP-DOTOQJQBSA-N 1 1 331.416 0.835 20 30 ECEDMO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cn(C)nc1Br ZINC000905520525 586899715 /nfs/dbraw/zinc/89/97/15/586899715.db2.gz HYUYGJORVSEQDK-NSHDSACASA-N 1 1 330.230 0.479 20 30 ECEDMO CCN1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1=O ZINC000905551982 586902449 /nfs/dbraw/zinc/90/24/49/586902449.db2.gz PJTFUKBFEWOKQX-HNNXBMFYSA-N 1 1 335.429 0.932 20 30 ECEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905910313 586925265 /nfs/dbraw/zinc/92/52/65/586925265.db2.gz ASIUVHNEYRFPEK-HKUYNNGSSA-N 1 1 345.443 0.973 20 30 ECEDMO C#CC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000843706769 589077700 /nfs/dbraw/zinc/07/77/00/589077700.db2.gz FOTWTXPHPFGNCO-QGZVFWFLSA-N 1 1 347.459 0.572 20 30 ECEDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000807986985 587140988 /nfs/dbraw/zinc/14/09/88/587140988.db2.gz BYEWKAAOABPFHW-CMTMBAJVSA-N 1 1 334.420 0.846 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[C@@H]1CCCO1 ZINC000809309217 587174271 /nfs/dbraw/zinc/17/42/71/587174271.db2.gz MDHSKVKMGSAKTA-QXSJWSMHSA-N 1 1 333.432 0.226 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCCO1 ZINC000809313955 587175101 /nfs/dbraw/zinc/17/51/01/587175101.db2.gz WNHDUZYYKOEONM-KKUMJFAQSA-N 1 1 335.448 0.520 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000809313925 587175260 /nfs/dbraw/zinc/17/52/60/587175260.db2.gz YUZIGYDSHNXXGB-FXUDXRNXSA-N 1 1 335.448 0.520 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000812328517 587235175 /nfs/dbraw/zinc/23/51/75/587235175.db2.gz DNWYMFNBSXYJRA-CVEARBPZSA-N 1 1 326.400 0.698 20 30 ECEDMO CON(C)C(=O)C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000812869955 587244113 /nfs/dbraw/zinc/24/41/13/587244113.db2.gz QUBUEGMECVIXLX-UHFFFAOYSA-N 1 1 344.415 0.906 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000815704447 587296426 /nfs/dbraw/zinc/29/64/26/587296426.db2.gz HKQLXVNRTLFEGG-SWLSCSKDSA-N 1 1 345.374 0.939 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000817839441 587388681 /nfs/dbraw/zinc/38/86/81/587388681.db2.gz LODNQXRMNNLYRS-CZUORRHYSA-N 1 1 329.400 0.119 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000817839441 587388682 /nfs/dbraw/zinc/38/86/82/587388682.db2.gz LODNQXRMNNLYRS-CZUORRHYSA-N 1 1 329.400 0.119 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000817853839 587389478 /nfs/dbraw/zinc/38/94/78/587389478.db2.gz RWCQIBIZVHMAMN-LLVKDONJSA-N 1 1 332.242 0.859 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000818602925 587440284 /nfs/dbraw/zinc/44/02/84/587440284.db2.gz JPOHQYGEWVFCKL-OAHLLOKOSA-N 1 1 328.416 0.501 20 30 ECEDMO C#Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cc1 ZINC000840381930 587477779 /nfs/dbraw/zinc/47/77/79/587477779.db2.gz KYTFQGDDHUSFFU-INIZCTEOSA-N 1 1 329.400 0.914 20 30 ECEDMO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCCCC#N ZINC000820788312 587555901 /nfs/dbraw/zinc/55/59/01/587555901.db2.gz CVWZPLFAVFUNJA-LBPRGKRZSA-N 1 1 327.396 0.861 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000823455279 587721352 /nfs/dbraw/zinc/72/13/52/587721352.db2.gz BORKCBHXDGLCKI-GJZGRUSLSA-N 1 1 336.436 0.132 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000823455279 587721354 /nfs/dbraw/zinc/72/13/54/587721354.db2.gz BORKCBHXDGLCKI-GJZGRUSLSA-N 1 1 336.436 0.132 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CC[C@@](C(=O)NC)(C(F)(F)F)C1 ZINC000826866546 588087485 /nfs/dbraw/zinc/08/74/85/588087485.db2.gz ACLQXOICFHLGKD-CQSZACIVSA-N 1 1 348.369 0.652 20 30 ECEDMO C#CC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000830343330 588369342 /nfs/dbraw/zinc/36/93/42/588369342.db2.gz SUILTHMXSFQUPG-UHFFFAOYSA-N 1 1 335.429 0.926 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369176 589109528 /nfs/dbraw/zinc/10/95/28/589109528.db2.gz VYJHZDXKJRSIDR-IUODEOHRSA-N 1 1 330.388 0.924 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369176 589109529 /nfs/dbraw/zinc/10/95/29/589109529.db2.gz VYJHZDXKJRSIDR-IUODEOHRSA-N 1 1 330.388 0.924 20 30 ECEDMO C#C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000847318047 589241951 /nfs/dbraw/zinc/24/19/51/589241951.db2.gz CWLRFXHSZASMCP-DLBZAZTESA-N 1 1 334.464 0.448 20 30 ECEDMO S=C(NCCN1CCOCC1)NN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848400554 589292893 /nfs/dbraw/zinc/29/28/93/589292893.db2.gz LUANYBDUWBZREJ-HNNXBMFYSA-N 1 1 339.509 0.787 20 30 ECEDMO S=C(NCCN1CCOCC1)NN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848400554 589292894 /nfs/dbraw/zinc/29/28/94/589292894.db2.gz LUANYBDUWBZREJ-HNNXBMFYSA-N 1 1 339.509 0.787 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848678080 589306165 /nfs/dbraw/zinc/30/61/65/589306165.db2.gz JDDOVRTUQCJLDK-CQSZACIVSA-N 1 1 349.412 0.905 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC[S@](=O)CC(F)(F)F ZINC000852358235 589492294 /nfs/dbraw/zinc/49/22/94/589492294.db2.gz PCIVTWUFFCFIOY-NRFANRHFSA-N 1 1 327.372 0.552 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cc2n(n1)CCC2 ZINC000853267212 589539199 /nfs/dbraw/zinc/53/91/99/589539199.db2.gz ITCFOJUHNMCBFL-UHFFFAOYSA-N 1 1 336.465 0.350 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CO[C@@H](C2CC2)C1 ZINC000853267416 589539217 /nfs/dbraw/zinc/53/92/17/589539217.db2.gz PBPQAQHMPJGBRC-CQSZACIVSA-N 1 1 326.466 0.728 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cnc2n1CCC2 ZINC000853267105 589539351 /nfs/dbraw/zinc/53/93/51/589539351.db2.gz FVYWTDZDJNDGBY-UHFFFAOYSA-N 1 1 336.465 0.350 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000854091614 589570733 /nfs/dbraw/zinc/57/07/33/589570733.db2.gz JIRGTVWHSRCWMS-UHFFFAOYSA-N 1 1 339.436 0.695 20 30 ECEDMO CCc1noc(C[C@@]2(O)CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)n1 ZINC000856678557 589670235 /nfs/dbraw/zinc/67/02/35/589670235.db2.gz WJRUMZIZPDMJCJ-KRWDZBQOSA-N 1 1 349.435 0.764 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cccc(C#CCO)c2)CC1 ZINC000860079568 589742182 /nfs/dbraw/zinc/74/21/82/589742182.db2.gz OJQNDMXXGIGMTQ-HNNXBMFYSA-N 1 1 344.411 0.740 20 30 ECEDMO CCOC(=O)N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000859053359 589796491 /nfs/dbraw/zinc/79/64/91/589796491.db2.gz DHOFLMCRMBAAMA-AWEZNQCLSA-N 1 1 325.409 0.832 20 30 ECEDMO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1nnnn1C1CC1 ZINC000859276588 589815258 /nfs/dbraw/zinc/81/52/58/589815258.db2.gz ITWUDMFWRBJAQE-FZMZJTMJSA-N 1 1 328.376 0.970 20 30 ECEDMO N#CC1(C[C@@H](O)C[NH+]2CCN(c3cc(F)ncn3)CC2)CCOCC1 ZINC000859323780 589821387 /nfs/dbraw/zinc/82/13/87/589821387.db2.gz KRSIMRCZVFFZDZ-CQSZACIVSA-N 1 1 349.410 0.809 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)CC1 ZINC000859520872 589846943 /nfs/dbraw/zinc/84/69/43/589846943.db2.gz ZBZWDGXFVLRXRL-KRWDZBQOSA-N 1 1 349.475 0.017 20 30 ECEDMO C=C(Cl)C[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000865301797 590138152 /nfs/dbraw/zinc/13/81/52/590138152.db2.gz PGRWOVCTXNLBDN-NWDGAFQWSA-N 1 1 342.827 0.637 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000875600210 590313059 /nfs/dbraw/zinc/31/30/59/590313059.db2.gz WQJQXHZADGKNHA-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000875600690 590313551 /nfs/dbraw/zinc/31/35/51/590313551.db2.gz SXDNDHZLWMIQQM-HRCADAONSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000875623988 590316898 /nfs/dbraw/zinc/31/68/98/590316898.db2.gz ZGTKGPVVKLXFSS-KGLIPLIRSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000875623988 590316900 /nfs/dbraw/zinc/31/69/00/590316900.db2.gz ZGTKGPVVKLXFSS-KGLIPLIRSA-N 1 1 327.450 0.303 20 30 ECEDMO N#Cc1cc(F)ccc1N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000879589450 590326236 /nfs/dbraw/zinc/32/62/36/590326236.db2.gz UMHLQKMGQCXNGT-UHFFFAOYSA-N 1 1 345.378 0.761 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000875923202 590346794 /nfs/dbraw/zinc/34/67/94/590346794.db2.gz YIJYSFXPEJFNCK-SJORKVTESA-N 1 1 336.480 0.836 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2nnnn2C)CC1 ZINC000879915755 590350406 /nfs/dbraw/zinc/35/04/06/590350406.db2.gz QEFBSZLCAMPHHZ-LRDDRELGSA-N 1 1 333.440 0.832 20 30 ECEDMO C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1=O ZINC000879927403 590351521 /nfs/dbraw/zinc/35/15/21/590351521.db2.gz VEBALVSOZYIWGF-LBPRGKRZSA-N 1 1 328.376 0.016 20 30 ECEDMO C#CCCCCC[NH+]1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000877958145 590488981 /nfs/dbraw/zinc/48/89/81/590488981.db2.gz HRNQJTNYJGGPEF-UHFFFAOYSA-N 1 1 342.509 0.290 20 30 ECEDMO C=CC[C@@H](C)[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000877956527 590489073 /nfs/dbraw/zinc/48/90/73/590489073.db2.gz RKAWBJYYLJWLIO-KFWWJZLASA-N 1 1 331.482 0.923 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878050346 590494490 /nfs/dbraw/zinc/49/44/90/590494490.db2.gz UHAQIISCDUXCLY-KRWDZBQOSA-N 1 1 349.475 0.329 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cc2c(Br)cnn2C)CC1 ZINC000878422817 590520381 /nfs/dbraw/zinc/52/03/81/590520381.db2.gz BCVZGYZJKLCIAY-UHFFFAOYSA-N 1 1 339.237 0.893 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785093 590541879 /nfs/dbraw/zinc/54/18/79/590541879.db2.gz LPCACHZTPBWSKU-DZGCQCFKSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785093 590541881 /nfs/dbraw/zinc/54/18/81/590541881.db2.gz LPCACHZTPBWSKU-DZGCQCFKSA-N 1 1 344.415 0.422 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 ZINC000879224987 590572201 /nfs/dbraw/zinc/57/22/01/590572201.db2.gz NJRAFCFWRAMPPU-UHFFFAOYSA-N 1 1 341.452 0.982 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879243842 590573481 /nfs/dbraw/zinc/57/34/81/590573481.db2.gz MHZQAMIPFCLRAK-ICSRJNTNSA-N 1 1 341.455 0.962 20 30 ECEDMO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N(C)C[C@H](C)C#N)c1 ZINC000883655653 590645338 /nfs/dbraw/zinc/64/53/38/590645338.db2.gz JAEUKSLOTKZJKF-CJNGLKHVSA-N 1 1 344.415 0.786 20 30 ECEDMO CCN(CC)C(=O)CN1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885940190 590783060 /nfs/dbraw/zinc/78/30/60/590783060.db2.gz CSGBTINCSKMWCO-MRXNPFEDSA-N 1 1 336.480 0.917 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886304296 590827971 /nfs/dbraw/zinc/82/79/71/590827971.db2.gz SYEOUBYKMOMZKJ-ZIAGYGMSSA-N 1 1 329.466 0.692 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1 ZINC000889731435 591072832 /nfs/dbraw/zinc/07/28/32/591072832.db2.gz KHYHZMVEMRKNAA-CYBMUJFWSA-N 1 1 345.403 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1 ZINC000889731435 591072837 /nfs/dbraw/zinc/07/28/37/591072837.db2.gz KHYHZMVEMRKNAA-CYBMUJFWSA-N 1 1 345.403 0.181 20 30 ECEDMO Cc1c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cnn1CCC#N ZINC000889775275 591091721 /nfs/dbraw/zinc/09/17/21/591091721.db2.gz VCQGUBPZPSALJS-HZPDHXFCSA-N 1 1 331.420 0.776 20 30 ECEDMO CN(C(=O)C(=O)Nc1cccc(CC#N)n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000890153185 591137415 /nfs/dbraw/zinc/13/74/15/591137415.db2.gz DZVUCGFDUVRNHI-AWEZNQCLSA-N 1 1 327.388 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000890377282 591155904 /nfs/dbraw/zinc/15/59/04/591155904.db2.gz IDQNDTLNINGQDB-CYBMUJFWSA-N 1 1 336.417 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000890377282 591155907 /nfs/dbraw/zinc/15/59/07/591155907.db2.gz IDQNDTLNINGQDB-CYBMUJFWSA-N 1 1 336.417 0.704 20 30 ECEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000922518250 611353211 /nfs/dbraw/zinc/35/32/11/611353211.db2.gz WNDAQIUUUBGABT-GUTXKFCHSA-N 1 1 342.465 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](OC)C2CC2)CC1 ZINC000946602170 611360770 /nfs/dbraw/zinc/36/07/70/611360770.db2.gz PJUVWXDTNDKOKT-IRXDYDNUSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](OC)C2CC2)CC1 ZINC000946602170 611360771 /nfs/dbraw/zinc/36/07/71/611360771.db2.gz PJUVWXDTNDKOKT-IRXDYDNUSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)CC[C@@H]2C1 ZINC000946605810 611362082 /nfs/dbraw/zinc/36/20/82/611362082.db2.gz XEPMXOFALDKEFA-GASCZTMLSA-N 1 1 344.463 0.774 20 30 ECEDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000930031356 611381988 /nfs/dbraw/zinc/38/19/88/611381988.db2.gz FVPCAJSRWBNBJS-MRXNPFEDSA-N 1 1 349.479 0.279 20 30 ECEDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000930031356 611381992 /nfs/dbraw/zinc/38/19/92/611381992.db2.gz FVPCAJSRWBNBJS-MRXNPFEDSA-N 1 1 349.479 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000948000422 611377023 /nfs/dbraw/zinc/37/70/23/611377023.db2.gz OXDQSVSXQUQTPR-HNNXBMFYSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000948000422 611377025 /nfs/dbraw/zinc/37/70/25/611377025.db2.gz OXDQSVSXQUQTPR-HNNXBMFYSA-N 1 1 343.431 0.157 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933473549 611728358 /nfs/dbraw/zinc/72/83/58/611728358.db2.gz FCBDGKLFDPXVPF-GFCCVEGCSA-N 1 1 340.424 0.939 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933473549 611728359 /nfs/dbraw/zinc/72/83/59/611728359.db2.gz FCBDGKLFDPXVPF-GFCCVEGCSA-N 1 1 340.424 0.939 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000930295217 611409626 /nfs/dbraw/zinc/40/96/26/611409626.db2.gz AFYDNHMRUOGYST-HNNXBMFYSA-N 1 1 339.436 0.065 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4nnnc4c3)CC[C@@H]2C1 ZINC000946710899 611429726 /nfs/dbraw/zinc/42/97/26/611429726.db2.gz XZUYQOKCQNGELM-IYBDPMFKSA-N 1 1 338.415 0.932 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947174414 611448794 /nfs/dbraw/zinc/44/87/94/611448794.db2.gz KWTDJMIOYAWNJO-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cnnn1C ZINC000947176428 611453270 /nfs/dbraw/zinc/45/32/70/611453270.db2.gz XFIKNNXONSSHTO-YPMHNXCESA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cnnn1C ZINC000947176428 611453272 /nfs/dbraw/zinc/45/32/72/611453272.db2.gz XFIKNNXONSSHTO-YPMHNXCESA-N 1 1 327.392 0.798 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000930768553 611462932 /nfs/dbraw/zinc/46/29/32/611462932.db2.gz IHUFZVKVMUHKST-BORJPKMPSA-N 1 1 335.448 0.494 20 30 ECEDMO C#CC[N@H+](C)CCCN1C(=O)NC2(CCC(C(=O)OC)CC2)C1=O ZINC000925313420 611468457 /nfs/dbraw/zinc/46/84/57/611468457.db2.gz MZIAPZKTGOQVRP-UHFFFAOYSA-N 1 1 335.404 0.595 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948207198 611468493 /nfs/dbraw/zinc/46/84/93/611468493.db2.gz IKNCUTCQGCGZSN-OSAQELSMSA-N 1 1 329.404 0.415 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCC3(C#N)CCCCC3)C[C@]2(C)C1 ZINC000931009107 611497359 /nfs/dbraw/zinc/49/73/59/611497359.db2.gz DEDGKNLKNUPDQI-PBHICJAKSA-N 1 1 332.448 0.987 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000948282804 611501195 /nfs/dbraw/zinc/50/11/95/611501195.db2.gz RLVHYKLXZDDMMN-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947369410 611501714 /nfs/dbraw/zinc/50/17/14/611501714.db2.gz LURQQOLXLMZIAR-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000931145438 611511173 /nfs/dbraw/zinc/51/11/73/611511173.db2.gz RKRPUACWMKOASX-UHFFFAOYSA-N 1 1 335.448 0.355 20 30 ECEDMO N#CC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000931333060 611531139 /nfs/dbraw/zinc/53/11/39/611531139.db2.gz VBGXPBITROOKOK-CLPYTZEMSA-N 1 1 331.338 0.992 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H]1C ZINC000947441326 611539250 /nfs/dbraw/zinc/53/92/50/611539250.db2.gz IKAJSUHQURPZFD-JSGCOSHPSA-N 1 1 326.462 0.966 20 30 ECEDMO N#Cc1cc(F)ccc1N1CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000931548037 611548832 /nfs/dbraw/zinc/54/88/32/611548832.db2.gz GAXKMGYJHPZPAZ-AEFFLSMTSA-N 1 1 349.406 0.722 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3cc(C#N)ccc3F)CC[C@H]21 ZINC000931597563 611552737 /nfs/dbraw/zinc/55/27/37/611552737.db2.gz BYDZDMPRENJZPV-XJKSGUPXSA-N 1 1 344.390 0.866 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000948374842 611552102 /nfs/dbraw/zinc/55/21/02/611552102.db2.gz ZEZZVAQJGILJAF-LSDHHAIUSA-N 1 1 343.431 0.709 20 30 ECEDMO COC1(OC)CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H]1O ZINC000931631181 611558477 /nfs/dbraw/zinc/55/84/77/611558477.db2.gz CFWRQVVJKFLNHH-GDBMZVCRSA-N 1 1 336.388 0.354 20 30 ECEDMO COC1(OC)CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H]1O ZINC000931631184 611558514 /nfs/dbraw/zinc/55/85/14/611558514.db2.gz CFWRQVVJKFLNHH-ZBFHGGJFSA-N 1 1 336.388 0.354 20 30 ECEDMO COC1(OC)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1O ZINC000931638984 611560003 /nfs/dbraw/zinc/56/00/03/611560003.db2.gz GALINMNHHVEUCX-HNNXBMFYSA-N 1 1 333.388 0.230 20 30 ECEDMO COC1(OC)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1O ZINC000931638984 611560006 /nfs/dbraw/zinc/56/00/06/611560006.db2.gz GALINMNHHVEUCX-HNNXBMFYSA-N 1 1 333.388 0.230 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948417031 611582932 /nfs/dbraw/zinc/58/29/32/611582932.db2.gz VMCOMRAWSQWJGV-IAGOWNOFSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[C@H]1NC(=O)N(Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1=O ZINC000927594605 611617407 /nfs/dbraw/zinc/61/74/07/611617407.db2.gz MHEUVCGRSNGEGT-HZPDHXFCSA-N 1 1 327.384 0.697 20 30 ECEDMO C#CC[N@H+](CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)C(C)C ZINC000932397003 611622286 /nfs/dbraw/zinc/62/22/86/611622286.db2.gz XYGNABVGTSXGDH-CYBMUJFWSA-N 1 1 349.456 0.955 20 30 ECEDMO C#CC[N@@H+](CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)C(C)C ZINC000932397003 611622287 /nfs/dbraw/zinc/62/22/87/611622287.db2.gz XYGNABVGTSXGDH-CYBMUJFWSA-N 1 1 349.456 0.955 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C[C@H]1C ZINC000947365358 608593202 /nfs/dbraw/zinc/59/32/02/608593202.db2.gz MHELYKCJBAZPQK-UKRRQHHQSA-N 1 1 329.400 0.767 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937358925 608621588 /nfs/dbraw/zinc/62/15/88/608621588.db2.gz HOAGRFADQMBIAY-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000936875170 608663351 /nfs/dbraw/zinc/66/33/51/608663351.db2.gz AAZBMOWMPVPVQP-IRXDYDNUSA-N 1 1 345.443 0.838 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000936875170 608663354 /nfs/dbraw/zinc/66/33/54/608663354.db2.gz AAZBMOWMPVPVQP-IRXDYDNUSA-N 1 1 345.443 0.838 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949490057 608706346 /nfs/dbraw/zinc/70/63/46/608706346.db2.gz ZGXCXHLMHJCKCN-HNNXBMFYSA-N 1 1 333.432 0.372 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC000949498139 608710055 /nfs/dbraw/zinc/71/00/55/608710055.db2.gz AZBJJHJNWDVENA-UHFFFAOYSA-N 1 1 334.424 0.333 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@H](C)C2)C1 ZINC000947701339 611659083 /nfs/dbraw/zinc/65/90/83/611659083.db2.gz AJBUMQOFUSUCGO-ZIAGYGMSSA-N 1 1 348.447 0.864 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)[C@@H](C)C2)nn1 ZINC000947796413 608781633 /nfs/dbraw/zinc/78/16/33/608781633.db2.gz LUFHFNJCEHISHK-STQMWFEESA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)[C@@H](C)C2)nn1 ZINC000947796413 608781635 /nfs/dbraw/zinc/78/16/35/608781635.db2.gz LUFHFNJCEHISHK-STQMWFEESA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)[C@H](C)C2)nn1 ZINC000947796410 608781707 /nfs/dbraw/zinc/78/17/07/608781707.db2.gz LUFHFNJCEHISHK-CHWSQXEVSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)[C@H](C)C2)nn1 ZINC000947796410 608781709 /nfs/dbraw/zinc/78/17/09/608781709.db2.gz LUFHFNJCEHISHK-CHWSQXEVSA-N 1 1 334.424 0.183 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000948590553 611663308 /nfs/dbraw/zinc/66/33/08/611663308.db2.gz MBQYICWVMOGGDU-CQSZACIVSA-N 1 1 334.420 0.838 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C[C@@H]1C ZINC000947546310 608882924 /nfs/dbraw/zinc/88/29/24/608882924.db2.gz FSWJICQECJYOSF-LSDHHAIUSA-N 1 1 341.477 0.404 20 30 ECEDMO C[C@H](NC(=O)NCC#CCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000923778916 608930687 /nfs/dbraw/zinc/93/06/87/608930687.db2.gz HXPFFUAVYIWLRP-RDJZCZTQSA-N 1 1 331.416 0.571 20 30 ECEDMO C[C@H](NC(=O)NCC#CCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000923778916 608930689 /nfs/dbraw/zinc/93/06/89/608930689.db2.gz HXPFFUAVYIWLRP-RDJZCZTQSA-N 1 1 331.416 0.571 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000947307150 608937121 /nfs/dbraw/zinc/93/71/21/608937121.db2.gz WIAWHFIYZIEEHH-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO CC[N@H+]1CCC[C@H](CN(C)C(=O)NCC#CCO)[C@H]1c1cnn(C)c1 ZINC000923763250 608938395 /nfs/dbraw/zinc/93/83/95/608938395.db2.gz XSEDDEVKKRJULS-WBVHZDCISA-N 1 1 347.463 0.830 20 30 ECEDMO C=C(Cl)C[C@H]1NC(=O)N(CCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000925277461 608981396 /nfs/dbraw/zinc/98/13/96/608981396.db2.gz TZQIIJKCHFZSBT-LLVKDONJSA-N 1 1 328.800 0.214 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000937197461 609033934 /nfs/dbraw/zinc/03/39/34/609033934.db2.gz HKJNQLACNWDBGE-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C)cc1C#N ZINC000947667336 609041281 /nfs/dbraw/zinc/04/12/81/609041281.db2.gz QHKGEXUZXFKAIB-SMDDNHRTSA-N 1 1 330.388 0.521 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000937752958 609057520 /nfs/dbraw/zinc/05/75/20/609057520.db2.gz SSSALNWRPFJUGV-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000937752958 609057524 /nfs/dbraw/zinc/05/75/24/609057524.db2.gz SSSALNWRPFJUGV-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)S(C)(=O)=O)CCO2 ZINC000949121180 609064361 /nfs/dbraw/zinc/06/43/61/609064361.db2.gz VTJOGCMEGCXAED-ZDUSSCGKSA-N 1 1 330.450 0.299 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncoc2CC)C1 ZINC000937769689 609078624 /nfs/dbraw/zinc/07/86/24/609078624.db2.gz HZMFABNRYMQVCV-KBPBESRZSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncoc2CC)C1 ZINC000937769689 609078627 /nfs/dbraw/zinc/07/86/27/609078627.db2.gz HZMFABNRYMQVCV-KBPBESRZSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1cn[nH]c1 ZINC000937252098 609082091 /nfs/dbraw/zinc/08/20/91/609082091.db2.gz COVHMWNFTOQOEZ-HOTGVXAUSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1cn[nH]c1 ZINC000937252098 609082093 /nfs/dbraw/zinc/08/20/93/609082093.db2.gz COVHMWNFTOQOEZ-HOTGVXAUSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000928455731 611690125 /nfs/dbraw/zinc/69/01/25/611690125.db2.gz UIMNZZCZSTXEPX-SWLSCSKDSA-N 1 1 335.429 0.421 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H](C)C2)nn1 ZINC000947792039 611692626 /nfs/dbraw/zinc/69/26/26/611692626.db2.gz HZOAGVSFJDSKTR-OCCSQVGLSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H](C)C2)nn1 ZINC000947792039 611692628 /nfs/dbraw/zinc/69/26/28/611692628.db2.gz HZOAGVSFJDSKTR-OCCSQVGLSA-N 1 1 346.435 0.325 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnoc2CC)C1 ZINC000937959721 609427981 /nfs/dbraw/zinc/42/79/81/609427981.db2.gz AHRXTRLQOHEQNR-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnoc2CC)C1 ZINC000937959721 609427983 /nfs/dbraw/zinc/42/79/83/609427983.db2.gz AHRXTRLQOHEQNR-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000937971606 609443116 /nfs/dbraw/zinc/44/31/16/609443116.db2.gz ZGXDSYWCEQUDDW-HZSPNIEDSA-N 1 1 346.435 0.135 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000937975897 609445696 /nfs/dbraw/zinc/44/56/96/609445696.db2.gz PKAHPLGMTFYHOC-CABCVRRESA-N 1 1 326.400 0.345 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000938170487 609482685 /nfs/dbraw/zinc/48/26/85/609482685.db2.gz IHKCVQYOKXYKGC-ULQDDVLXSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccsn2)C1 ZINC000938171082 609483486 /nfs/dbraw/zinc/48/34/86/609483486.db2.gz WCWHNINQVQMOEO-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccsn2)C1 ZINC000938171082 609483487 /nfs/dbraw/zinc/48/34/87/609483487.db2.gz WCWHNINQVQMOEO-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c(C)cnn2C)C1 ZINC000938173531 609486446 /nfs/dbraw/zinc/48/64/46/609486446.db2.gz UBUZWJXKYBCSKD-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c(C)cnn2C)C1 ZINC000938173531 609486447 /nfs/dbraw/zinc/48/64/47/609486447.db2.gz UBUZWJXKYBCSKD-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000938173342 609487590 /nfs/dbraw/zinc/48/75/90/609487590.db2.gz PGWCMUPYTWMBOC-HOTGVXAUSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000938173342 609487592 /nfs/dbraw/zinc/48/75/92/609487592.db2.gz PGWCMUPYTWMBOC-HOTGVXAUSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000938178320 609491522 /nfs/dbraw/zinc/49/15/22/609491522.db2.gz ZASNILSQFZSVCQ-QZWWFDLISA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000938178320 609491525 /nfs/dbraw/zinc/49/15/25/609491525.db2.gz ZASNILSQFZSVCQ-QZWWFDLISA-N 1 1 347.459 0.616 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938289737 609497865 /nfs/dbraw/zinc/49/78/65/609497865.db2.gz WMGMMJMKYXTPNQ-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO CC(C)(CC#N)CS(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000908015590 609638152 /nfs/dbraw/zinc/63/81/52/609638152.db2.gz QWTFMXGJTPXNLK-ZIAGYGMSSA-N 1 1 329.466 0.787 20 30 ECEDMO C[C@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000919975581 609666814 /nfs/dbraw/zinc/66/68/14/609666814.db2.gz XEHUVYJVVMEUSW-NHYWBVRUSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919975581 609666815 /nfs/dbraw/zinc/66/68/15/609666815.db2.gz XEHUVYJVVMEUSW-NHYWBVRUSA-N 1 1 340.424 0.610 20 30 ECEDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)C#N)C2 ZINC000920273339 609677658 /nfs/dbraw/zinc/67/76/58/609677658.db2.gz GUHKSOQWRQEQTR-NYTXWWLZSA-N 1 1 343.493 0.935 20 30 ECEDMO C#CCCCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCOC ZINC000909198101 609685827 /nfs/dbraw/zinc/68/58/27/609685827.db2.gz ZWBZRBUEWSMHBJ-OAHLLOKOSA-N 1 1 333.436 0.401 20 30 ECEDMO C#CCCCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCOC ZINC000909198101 609685829 /nfs/dbraw/zinc/68/58/29/609685829.db2.gz ZWBZRBUEWSMHBJ-OAHLLOKOSA-N 1 1 333.436 0.401 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C ZINC000947852835 609695786 /nfs/dbraw/zinc/69/57/86/609695786.db2.gz MISRLFHUXLXSRX-ZBFHGGJFSA-N 1 1 330.432 0.853 20 30 ECEDMO C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H](C)N1CC#N ZINC000921364662 609707678 /nfs/dbraw/zinc/70/76/78/609707678.db2.gz ORJCGVKLOIHRPN-BETUJISGSA-N 1 1 333.440 0.614 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000921439085 609716703 /nfs/dbraw/zinc/71/67/03/609716703.db2.gz RCVBLMUPESQEML-UHFFFAOYSA-N 1 1 347.440 0.348 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC000947998563 609752941 /nfs/dbraw/zinc/75/29/41/609752941.db2.gz MFMPBRPLTUXNRJ-OLZOCXBDSA-N 1 1 334.420 0.309 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC000947998562 609753022 /nfs/dbraw/zinc/75/30/22/609753022.db2.gz MFMPBRPLTUXNRJ-CHWSQXEVSA-N 1 1 334.420 0.309 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000938367229 609756765 /nfs/dbraw/zinc/75/67/65/609756765.db2.gz VXDDENNXHKRWNX-LPRCSBTHSA-N 1 1 347.459 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000938372371 609758950 /nfs/dbraw/zinc/75/89/50/609758950.db2.gz IYAAYNNMWMMJDM-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C[C@@H]1C ZINC000948017958 609766256 /nfs/dbraw/zinc/76/62/56/609766256.db2.gz YBKFLBFIJYTTDM-NWDGAFQWSA-N 1 1 327.812 0.857 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C[C@@H]1C ZINC000948017958 609766257 /nfs/dbraw/zinc/76/62/57/609766257.db2.gz YBKFLBFIJYTTDM-NWDGAFQWSA-N 1 1 327.812 0.857 20 30 ECEDMO C#CCCCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000173192161 609778897 /nfs/dbraw/zinc/77/88/97/609778897.db2.gz JKLUUFGRLCBRMS-UHFFFAOYSA-N 1 1 330.388 0.655 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000910920192 609780380 /nfs/dbraw/zinc/78/03/80/609780380.db2.gz QMUJMNVVKZZCNS-BRWVUGGUSA-N 1 1 349.475 0.859 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)NCCCCC[NH+]1CCNCC1 ZINC000911016412 609794980 /nfs/dbraw/zinc/79/49/80/609794980.db2.gz XYYMUEPWPRKMOU-UHFFFAOYSA-N 1 1 337.468 0.234 20 30 ECEDMO O=C(c1cccc(C#CCO)c1)N1CC[NH+](CCCCCO)CC1 ZINC000913688377 609811972 /nfs/dbraw/zinc/81/19/72/609811972.db2.gz BQMOMLYFQKWHBC-UHFFFAOYSA-N 1 1 330.428 0.951 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC000938529963 609844673 /nfs/dbraw/zinc/84/46/73/609844673.db2.gz FPLRYIDLFKNZHP-ZFWWWQNUSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000938532945 609852012 /nfs/dbraw/zinc/85/20/12/609852012.db2.gz RFSGPKWXQXZYAL-ZIAGYGMSSA-N 1 1 346.435 0.089 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000914112276 609854067 /nfs/dbraw/zinc/85/40/67/609854067.db2.gz GALKDEDVRZIGPF-INIZCTEOSA-N 1 1 348.422 0.631 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000938546488 609861730 /nfs/dbraw/zinc/86/17/30/609861730.db2.gz VYVKCABFLCFSAG-AWEZNQCLSA-N 1 1 340.387 0.764 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000152577231 609865734 /nfs/dbraw/zinc/86/57/34/609865734.db2.gz VYXKPDRZJDLKCE-CZUORRHYSA-N 1 1 344.415 0.625 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000152577231 609865735 /nfs/dbraw/zinc/86/57/35/609865735.db2.gz VYXKPDRZJDLKCE-CZUORRHYSA-N 1 1 344.415 0.625 20 30 ECEDMO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000911870923 609916966 /nfs/dbraw/zinc/91/69/66/609916966.db2.gz HNKAQAKREIZRDV-WMZOPIPTSA-N 1 1 331.416 0.897 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCCCC1 ZINC000917056228 609959903 /nfs/dbraw/zinc/95/99/03/609959903.db2.gz PVAQGSOEZUXOSF-HNNXBMFYSA-N 1 1 340.493 0.770 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CCCCC1 ZINC000917056228 609959904 /nfs/dbraw/zinc/95/99/04/609959904.db2.gz PVAQGSOEZUXOSF-HNNXBMFYSA-N 1 1 340.493 0.770 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)COc1cccc(C#N)c1 ZINC000917955246 609990346 /nfs/dbraw/zinc/99/03/46/609990346.db2.gz ZCXDBIYACNTYOE-UHFFFAOYSA-N 1 1 330.388 0.169 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000938859183 609998598 /nfs/dbraw/zinc/99/85/98/609998598.db2.gz FYQGJKCMNOMSAB-UGUYLWEFSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000938859183 609998599 /nfs/dbraw/zinc/99/85/99/609998599.db2.gz FYQGJKCMNOMSAB-UGUYLWEFSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000938889024 610013489 /nfs/dbraw/zinc/01/34/89/610013489.db2.gz VBWQGXHGQRWPGN-HOCLYGCPSA-N 1 1 346.406 0.924 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000938889024 610013492 /nfs/dbraw/zinc/01/34/92/610013492.db2.gz VBWQGXHGQRWPGN-HOCLYGCPSA-N 1 1 346.406 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2csnn2)C1 ZINC000938928833 610048032 /nfs/dbraw/zinc/04/80/32/610048032.db2.gz JMQRTJNISXMZSY-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2csnn2)C1 ZINC000938928833 610048034 /nfs/dbraw/zinc/04/80/34/610048034.db2.gz JMQRTJNISXMZSY-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2nocc2C)C1 ZINC000939670189 610081848 /nfs/dbraw/zinc/08/18/48/610081848.db2.gz DENQMCATCUZNEQ-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2nocc2C)C1 ZINC000939670189 610081850 /nfs/dbraw/zinc/08/18/50/610081850.db2.gz DENQMCATCUZNEQ-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3C)C2)nn1 ZINC000939291145 610148399 /nfs/dbraw/zinc/14/83/99/610148399.db2.gz BFVJOGIABAJRIU-CHWSQXEVSA-N 1 1 344.423 0.233 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2(C)CCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000940024158 610187927 /nfs/dbraw/zinc/18/79/27/610187927.db2.gz BSZNSVZEALLDNY-HNNXBMFYSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC000939470944 610212266 /nfs/dbraw/zinc/21/22/66/610212266.db2.gz JJOKRCTYXDGBFB-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC000939470944 610212267 /nfs/dbraw/zinc/21/22/67/610212267.db2.gz JJOKRCTYXDGBFB-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2scnc2C)C1 ZINC000939549721 610231815 /nfs/dbraw/zinc/23/18/15/610231815.db2.gz QJEMAAIAYBHXTR-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2scnc2C)C1 ZINC000939549721 610231817 /nfs/dbraw/zinc/23/18/17/610231817.db2.gz QJEMAAIAYBHXTR-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000940295410 610261372 /nfs/dbraw/zinc/26/13/72/610261372.db2.gz KTMVDXMQOKPGMC-WOSRLPQWSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000940506930 610293284 /nfs/dbraw/zinc/29/32/84/610293284.db2.gz NDCFNYYHSAMGFY-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc(NC(C)=O)cn3)CC2)C1 ZINC000941431233 610312143 /nfs/dbraw/zinc/31/21/43/610312143.db2.gz LBAGQOGZKGDOMC-UHFFFAOYSA-N 1 1 343.431 0.668 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)CC2)C1 ZINC000941467504 610328356 /nfs/dbraw/zinc/32/83/56/610328356.db2.gz CICUFBRPKMKWSG-UHFFFAOYSA-N 1 1 342.403 0.292 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N[C@H](C)C3)CC2)C1 ZINC000941468099 610328542 /nfs/dbraw/zinc/32/85/42/610328542.db2.gz MMHWLAPUNZUHGR-HUUCEWRRSA-N 1 1 334.464 0.306 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941470787 610329534 /nfs/dbraw/zinc/32/95/34/610329534.db2.gz HNCYEKKYYDOBFG-IBGZPJMESA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941470789 610329679 /nfs/dbraw/zinc/32/96/79/610329679.db2.gz HNCYEKKYYDOBFG-LJQANCHMSA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC000941494719 610342172 /nfs/dbraw/zinc/34/21/72/610342172.db2.gz UQWKDADEYUTETM-WKULXVSPSA-N 1 1 329.444 0.262 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3occ4c3CCOC4)CC2)C1 ZINC000941502209 610345757 /nfs/dbraw/zinc/34/57/57/610345757.db2.gz MGQKCHHQTCMEBC-UHFFFAOYSA-N 1 1 343.427 0.818 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000940720146 610345898 /nfs/dbraw/zinc/34/58/98/610345898.db2.gz CQZNGSBPZCWKFN-VYDXJSESSA-N 1 1 346.431 0.890 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)C1 ZINC000941505407 610347649 /nfs/dbraw/zinc/34/76/49/610347649.db2.gz UKKGUYJLIGJICB-UHFFFAOYSA-N 1 1 329.448 0.502 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(C)(C)C1 ZINC000940789336 610362792 /nfs/dbraw/zinc/36/27/92/610362792.db2.gz KKLDOGMIQGBJHO-AWEZNQCLSA-N 1 1 348.447 0.340 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccoc3CC(N)=O)CC2)C1 ZINC000941536674 610366872 /nfs/dbraw/zinc/36/68/72/610366872.db2.gz AYYGWRGHXFDUKD-UHFFFAOYSA-N 1 1 346.431 0.326 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C(C)(C)C1 ZINC000940801645 610369497 /nfs/dbraw/zinc/36/94/97/610369497.db2.gz VQSXDFTVFHRPTG-ZDUSSCGKSA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C(C)(C)C1 ZINC000940801645 610369499 /nfs/dbraw/zinc/36/94/99/610369499.db2.gz VQSXDFTVFHRPTG-ZDUSSCGKSA-N 1 1 343.855 0.814 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H](C)C1 ZINC000942285565 610373897 /nfs/dbraw/zinc/37/38/97/610373897.db2.gz DORQRDILIDHYKI-OCCSQVGLSA-N 1 1 342.399 0.876 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567283 610376853 /nfs/dbraw/zinc/37/68/53/610376853.db2.gz PZFCHWLJMCXQEO-XJKSGUPXSA-N 1 1 340.899 0.765 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1 ZINC000941571409 610378258 /nfs/dbraw/zinc/37/82/58/610378258.db2.gz VWESVLGMJNCHNA-IAGOWNOFSA-N 1 1 343.475 0.928 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1 ZINC000941571620 610378332 /nfs/dbraw/zinc/37/83/32/610378332.db2.gz BAIYPRGAAXSOQK-HZPDHXFCSA-N 1 1 329.448 0.538 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3cn(C)nc3C)CC2)C1 ZINC000941592254 610388324 /nfs/dbraw/zinc/38/83/24/610388324.db2.gz FENJFJHKNGQKMJ-UHFFFAOYSA-N 1 1 343.475 0.513 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000941578902 610391365 /nfs/dbraw/zinc/39/13/65/610391365.db2.gz WMNQFBVPDJAKGA-ZBFHGGJFSA-N 1 1 334.464 0.306 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000940865355 610402054 /nfs/dbraw/zinc/40/20/54/610402054.db2.gz WIOHONSIRFMVIS-LBPRGKRZSA-N 1 1 341.433 0.943 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc(NC(N)=O)cc3)CC2)C1 ZINC000941657724 610431441 /nfs/dbraw/zinc/43/14/41/610431441.db2.gz KWZJRSXDQLYNFZ-UHFFFAOYSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000942401785 610431835 /nfs/dbraw/zinc/43/18/35/610431835.db2.gz IJYNJTWGJXMJOB-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000942401785 610431838 /nfs/dbraw/zinc/43/18/38/610431838.db2.gz IJYNJTWGJXMJOB-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000940932343 610434221 /nfs/dbraw/zinc/43/42/21/610434221.db2.gz NPLUIEGAZLCDLU-LBPRGKRZSA-N 1 1 342.407 0.157 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 ZINC000941788195 610494225 /nfs/dbraw/zinc/49/42/25/610494225.db2.gz DDYIIMAZMXMAFI-GXSJLCMTSA-N 1 1 343.229 0.408 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 ZINC000941788195 610494226 /nfs/dbraw/zinc/49/42/26/610494226.db2.gz DDYIIMAZMXMAFI-GXSJLCMTSA-N 1 1 343.229 0.408 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](C)C1 ZINC000942523627 610498761 /nfs/dbraw/zinc/49/87/61/610498761.db2.gz SLXJVJDGWZMTRE-GXTWGEPZSA-N 1 1 326.404 0.827 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](C)C1 ZINC000942530661 610501417 /nfs/dbraw/zinc/50/14/17/610501417.db2.gz UVZHMZNPSMQKRZ-HIFRSBDPSA-N 1 1 339.403 0.521 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@@H](C)C1 ZINC000942581225 610525267 /nfs/dbraw/zinc/52/52/67/610525267.db2.gz CFZMTURBJKFHCR-GXTWGEPZSA-N 1 1 326.404 0.827 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000941085242 610528958 /nfs/dbraw/zinc/52/89/58/610528958.db2.gz SIEFOQAHAWHVTD-GDBMZVCRSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000941085242 610528960 /nfs/dbraw/zinc/52/89/60/610528960.db2.gz SIEFOQAHAWHVTD-GDBMZVCRSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941085882 610529251 /nfs/dbraw/zinc/52/92/51/610529251.db2.gz YARJRJQFTPKGRV-YPMHNXCESA-N 1 1 334.424 0.168 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941085882 610529254 /nfs/dbraw/zinc/52/92/54/610529254.db2.gz YARJRJQFTPKGRV-YPMHNXCESA-N 1 1 334.424 0.168 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000941090645 610531418 /nfs/dbraw/zinc/53/14/18/610531418.db2.gz INXKZYWYPFLJSY-XYEKJYRLSA-N 1 1 346.431 0.215 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000941090710 610531800 /nfs/dbraw/zinc/53/18/00/610531800.db2.gz JWKRXUSRNZHZRL-YNAXMUEKSA-N 1 1 346.431 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2cc[nH]n2)C1 ZINC000942686759 610556039 /nfs/dbraw/zinc/55/60/39/610556039.db2.gz GQNWZHHCLMUIDH-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2cc[nH]n2)C1 ZINC000942686759 610556040 /nfs/dbraw/zinc/55/60/40/610556040.db2.gz GQNWZHHCLMUIDH-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2ccn[nH]2)C1 ZINC000942686759 610556041 /nfs/dbraw/zinc/55/60/41/610556041.db2.gz GQNWZHHCLMUIDH-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2ccn[nH]2)C1 ZINC000942686759 610556042 /nfs/dbraw/zinc/55/60/42/610556042.db2.gz GQNWZHHCLMUIDH-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000941162354 610570071 /nfs/dbraw/zinc/57/00/71/610570071.db2.gz ZDQITGAGUNXTJB-CYBMUJFWSA-N 1 1 336.436 0.673 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941963685 610586439 /nfs/dbraw/zinc/58/64/39/610586439.db2.gz MMLMIFLKAFCCTG-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1C[N@H+](CCS(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966537 610588190 /nfs/dbraw/zinc/58/81/90/610588190.db2.gz LVTNMAVMEVEUEM-YPMHNXCESA-N 1 1 338.433 0.371 20 30 ECEDMO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966537 610588192 /nfs/dbraw/zinc/58/81/92/610588192.db2.gz LVTNMAVMEVEUEM-YPMHNXCESA-N 1 1 338.433 0.371 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000941217681 610601298 /nfs/dbraw/zinc/60/12/98/610601298.db2.gz JTVKAPRXSAMTFS-VQHPVUNQSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941226784 610610416 /nfs/dbraw/zinc/61/04/16/610610416.db2.gz SRAJUTIJCIWRBE-UONOGXRCSA-N 1 1 343.493 0.861 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000941237821 610621493 /nfs/dbraw/zinc/62/14/93/610621493.db2.gz KNRHKBSANGWXPM-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000941237821 610621496 /nfs/dbraw/zinc/62/14/96/610621496.db2.gz KNRHKBSANGWXPM-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccnn2CC)C1 ZINC000941237699 610621596 /nfs/dbraw/zinc/62/15/96/610621596.db2.gz GLKYGDJOYAIIQJ-CABCVRRESA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccnn2CC)C1 ZINC000941237699 610621599 /nfs/dbraw/zinc/62/15/99/610621599.db2.gz GLKYGDJOYAIIQJ-CABCVRRESA-N 1 1 343.431 0.331 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C ZINC000947899654 610623829 /nfs/dbraw/zinc/62/38/29/610623829.db2.gz MGLOGNMXPOGGGZ-CABCVRRESA-N 1 1 345.447 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942054186 610633648 /nfs/dbraw/zinc/63/36/48/610633648.db2.gz WFYRXBBIMBMTPX-CJNGLKHVSA-N 1 1 339.403 0.572 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1C ZINC000947899727 610638268 /nfs/dbraw/zinc/63/82/68/610638268.db2.gz MPSFYXGRNSMDAI-GJZGRUSLSA-N 1 1 347.463 0.926 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000942099249 610653546 /nfs/dbraw/zinc/65/35/46/610653546.db2.gz IOJMOBIFSGLPDR-KBPBESRZSA-N 1 1 329.466 0.425 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000942099251 610653554 /nfs/dbraw/zinc/65/35/54/610653554.db2.gz IOJMOBIFSGLPDR-UONOGXRCSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2[nH]cnc2CC)C1 ZINC000942119876 610658491 /nfs/dbraw/zinc/65/84/91/610658491.db2.gz MORHOAXJYCMSPA-HIFRSBDPSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2[nH]cnc2CC)C1 ZINC000942119876 610658492 /nfs/dbraw/zinc/65/84/92/610658492.db2.gz MORHOAXJYCMSPA-HIFRSBDPSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000942190068 610690003 /nfs/dbraw/zinc/69/00/03/610690003.db2.gz YVMZXHCQBQSLTJ-DGCLKSJQSA-N 1 1 339.417 0.391 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 ZINC000942201535 610694189 /nfs/dbraw/zinc/69/41/89/610694189.db2.gz XJHMTIIXMBGYQK-JQWIXIFHSA-N 1 1 327.816 0.161 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 ZINC000942201535 610694190 /nfs/dbraw/zinc/69/41/90/610694190.db2.gz XJHMTIIXMBGYQK-JQWIXIFHSA-N 1 1 327.816 0.161 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC000942201536 610694212 /nfs/dbraw/zinc/69/42/12/610694212.db2.gz XJHMTIIXMBGYQK-PWSUYJOCSA-N 1 1 327.816 0.161 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC000942201536 610694213 /nfs/dbraw/zinc/69/42/13/610694213.db2.gz XJHMTIIXMBGYQK-PWSUYJOCSA-N 1 1 327.816 0.161 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H](C)C1 ZINC000942206787 610696676 /nfs/dbraw/zinc/69/66/76/610696676.db2.gz FGPDYEYLDIJLLX-UONOGXRCSA-N 1 1 342.403 0.783 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000941391187 610704923 /nfs/dbraw/zinc/70/49/23/610704923.db2.gz VHAOTDCDDFXAEK-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@@H](C)C1 ZINC000944135436 610752145 /nfs/dbraw/zinc/75/21/45/610752145.db2.gz LZYHKSWWYSAQHW-QWRGUYRKSA-N 1 1 336.392 0.913 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2C)cn1 ZINC000944213603 610785816 /nfs/dbraw/zinc/78/58/16/610785816.db2.gz FDZVDOHBNJTZMD-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1C ZINC000944213300 610786023 /nfs/dbraw/zinc/78/60/23/610786023.db2.gz CMTIOWZHOVYEKV-GDBMZVCRSA-N 1 1 331.416 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1cnoc1 ZINC000944220350 610789752 /nfs/dbraw/zinc/78/97/52/610789752.db2.gz AGGLPZWIKQFUSH-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1cnoc1 ZINC000944220350 610789755 /nfs/dbraw/zinc/78/97/55/610789755.db2.gz AGGLPZWIKQFUSH-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](C)C1 ZINC000944810583 610795266 /nfs/dbraw/zinc/79/52/66/610795266.db2.gz JFJLMGZXIQJTFX-QWHCGFSZSA-N 1 1 331.420 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC000944235332 610802538 /nfs/dbraw/zinc/80/25/38/610802538.db2.gz KODHTKAPFDOUMD-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC000944235332 610802540 /nfs/dbraw/zinc/80/25/40/610802540.db2.gz KODHTKAPFDOUMD-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000944272642 610806288 /nfs/dbraw/zinc/80/62/88/610806288.db2.gz KDUJCAOCPJYWCN-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000944272642 610806289 /nfs/dbraw/zinc/80/62/89/610806289.db2.gz KDUJCAOCPJYWCN-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2cnon2)C1 ZINC000943337072 610807956 /nfs/dbraw/zinc/80/79/56/610807956.db2.gz QBCYMPYNWRWFHY-ZFWWWQNUSA-N 1 1 345.403 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2cnon2)C1 ZINC000943337072 610807957 /nfs/dbraw/zinc/80/79/57/610807957.db2.gz QBCYMPYNWRWFHY-ZFWWWQNUSA-N 1 1 345.403 0.278 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@H](C)OC)C1 ZINC000943338394 610808242 /nfs/dbraw/zinc/80/82/42/610808242.db2.gz XADCEZUEJBJDSE-JYJNAYRXSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@H](C)OC)C1 ZINC000943338394 610808243 /nfs/dbraw/zinc/80/82/43/610808243.db2.gz XADCEZUEJBJDSE-JYJNAYRXSA-N 1 1 335.448 0.616 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000944299260 610827279 /nfs/dbraw/zinc/82/72/79/610827279.db2.gz UIHSAUCGYPEIEW-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)CC1 ZINC000944883755 610828133 /nfs/dbraw/zinc/82/81/33/610828133.db2.gz HQNZBABZZFWJJH-MRXNPFEDSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@H]2C)nn1 ZINC000943500512 610885054 /nfs/dbraw/zinc/88/50/54/610885054.db2.gz YGYMFGMGIHYNFO-HUUCEWRRSA-N 1 1 343.435 0.801 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2 ZINC000945034763 610889956 /nfs/dbraw/zinc/88/99/56/610889956.db2.gz FMUVJIWJCKEYBR-ZDUSSCGKSA-N 1 1 329.404 0.802 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 ZINC000945180091 610934423 /nfs/dbraw/zinc/93/44/23/610934423.db2.gz KFYKOOLYQUDECH-QWHCGFSZSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](C)SC)CC1 ZINC000944574105 610982813 /nfs/dbraw/zinc/98/28/13/610982813.db2.gz IQPJIZWBEDEAOH-HIFRSBDPSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](C)SC)CC1 ZINC000944574105 610982814 /nfs/dbraw/zinc/98/28/14/610982814.db2.gz IQPJIZWBEDEAOH-HIFRSBDPSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cnccn2)CC1 ZINC000943769810 610983839 /nfs/dbraw/zinc/98/38/39/610983839.db2.gz PUYVLBGNBJPXIP-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cnccn2)CC1 ZINC000943769810 610983841 /nfs/dbraw/zinc/98/38/41/610983841.db2.gz PUYVLBGNBJPXIP-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000945286101 611003801 /nfs/dbraw/zinc/00/38/01/611003801.db2.gz HHWYHZGQMJJWMP-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC2CC2)CCO1 ZINC000944646566 611055835 /nfs/dbraw/zinc/05/58/35/611055835.db2.gz JHJATYCNJZXOLF-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC2CC2)CCO1 ZINC000944646566 611055838 /nfs/dbraw/zinc/05/58/38/611055838.db2.gz JHJATYCNJZXOLF-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 ZINC000944654814 611062461 /nfs/dbraw/zinc/06/24/61/611062461.db2.gz PANRTCKJHPNMMC-OLZOCXBDSA-N 1 1 336.436 0.720 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C)C1 ZINC000943989296 611071757 /nfs/dbraw/zinc/07/17/57/611071757.db2.gz VDVFNGCERJETEX-QWHCGFSZSA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@@H](C)C1 ZINC000944044894 611094269 /nfs/dbraw/zinc/09/42/69/611094269.db2.gz BBZRKNGSQOUZGM-ZFWWWQNUSA-N 1 1 331.420 0.703 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H](C)C1 ZINC000944032859 611097286 /nfs/dbraw/zinc/09/72/86/611097286.db2.gz IEKQGXDALBEDMK-CABCVRRESA-N 1 1 347.463 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccsn1 ZINC000944095543 611129783 /nfs/dbraw/zinc/12/97/83/611129783.db2.gz STTHMKIANGZAJF-HIFRSBDPSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccsn1 ZINC000944095543 611129785 /nfs/dbraw/zinc/12/97/85/611129785.db2.gz STTHMKIANGZAJF-HIFRSBDPSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000944097849 611130691 /nfs/dbraw/zinc/13/06/91/611130691.db2.gz NKUPSBHBBYMZIG-ZACQAIPSSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC000944098419 611131230 /nfs/dbraw/zinc/13/12/30/611131230.db2.gz VOFZSSWSQQFMPX-CABCVRRESA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC000944098419 611131231 /nfs/dbraw/zinc/13/12/31/611131231.db2.gz VOFZSSWSQQFMPX-CABCVRRESA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccsn1 ZINC000944100187 611131796 /nfs/dbraw/zinc/13/17/96/611131796.db2.gz NQPFUIACPBNCMG-HIFRSBDPSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccsn1 ZINC000944100187 611131797 /nfs/dbraw/zinc/13/17/97/611131797.db2.gz NQPFUIACPBNCMG-HIFRSBDPSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1csnn1 ZINC000944100195 611131855 /nfs/dbraw/zinc/13/18/55/611131855.db2.gz NYOUYHBDPQXDRZ-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1csnn1 ZINC000944100195 611131856 /nfs/dbraw/zinc/13/18/56/611131856.db2.gz NYOUYHBDPQXDRZ-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)nn1 ZINC000922957380 611186412 /nfs/dbraw/zinc/18/64/12/611186412.db2.gz UTWYCGWUFKOSNX-OAHLLOKOSA-N 1 1 334.424 0.517 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C2=C(C)N(C)c3nnnn3[C@@H]2C)C1 ZINC000923558361 611260739 /nfs/dbraw/zinc/26/07/39/611260739.db2.gz YYMOIYCQDJKOPM-CHWSQXEVSA-N 1 1 329.408 0.172 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2=C(C)N(C)c3nnnn3[C@@H]2C)C1 ZINC000923558361 611260741 /nfs/dbraw/zinc/26/07/41/611260741.db2.gz YYMOIYCQDJKOPM-CHWSQXEVSA-N 1 1 329.408 0.172 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)COC)CC[C@@H]3C2)C1=O ZINC000946430645 611261981 /nfs/dbraw/zinc/26/19/81/611261981.db2.gz OGZLCCTZXDVSDP-XHSDSOJGSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 ZINC000923590448 611270447 /nfs/dbraw/zinc/27/04/47/611270447.db2.gz XCZPMKOTACOYPL-DLBZAZTESA-N 1 1 338.415 0.671 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 ZINC000923590448 611270450 /nfs/dbraw/zinc/27/04/50/611270450.db2.gz XCZPMKOTACOYPL-DLBZAZTESA-N 1 1 338.415 0.671 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)NCc2ccc(F)cc2)C1 ZINC000923589503 611270563 /nfs/dbraw/zinc/27/05/63/611270563.db2.gz SAZKHUWDCXRCII-INIZCTEOSA-N 1 1 346.406 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)NCc2ccc(F)cc2)C1 ZINC000923589503 611270564 /nfs/dbraw/zinc/27/05/64/611270564.db2.gz SAZKHUWDCXRCII-INIZCTEOSA-N 1 1 346.406 0.839 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000923590544 611271118 /nfs/dbraw/zinc/27/11/18/611271118.db2.gz ZYKLESVTUOMRTO-HNNXBMFYSA-N 1 1 335.429 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000923590544 611271120 /nfs/dbraw/zinc/27/11/20/611271120.db2.gz ZYKLESVTUOMRTO-HNNXBMFYSA-N 1 1 335.429 0.886 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC000947944641 611281387 /nfs/dbraw/zinc/28/13/87/611281387.db2.gz XISNPVQQJQEZOR-STQMWFEESA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC000947944641 611281388 /nfs/dbraw/zinc/28/13/88/611281388.db2.gz XISNPVQQJQEZOR-STQMWFEESA-N 1 1 330.388 0.162 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@H+]1C ZINC000946496370 611285291 /nfs/dbraw/zinc/28/52/91/611285291.db2.gz ZRRXKBMZKCWLFW-IUODEOHRSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C ZINC000947925848 611285480 /nfs/dbraw/zinc/28/54/80/611285480.db2.gz SIJWICVBLFVFEE-MNOVXSKESA-N 1 1 334.376 0.502 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000834758837 611299888 /nfs/dbraw/zinc/29/98/88/611299888.db2.gz HTOVYHQWNOVRPZ-MRXNPFEDSA-N 1 1 348.491 0.391 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)NCC[N@@H+](C)CCOCCO)c1 ZINC000922115165 611336455 /nfs/dbraw/zinc/33/64/55/611336455.db2.gz GUYGCMZCBLJPEX-UHFFFAOYSA-N 1 1 334.420 0.295 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C ZINC000947928640 611744040 /nfs/dbraw/zinc/74/40/40/611744040.db2.gz FKSYLNXIQUNGSD-NWDGAFQWSA-N 1 1 328.376 0.024 20 30 ECEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)C2=O)cc1 ZINC000933724220 611744847 /nfs/dbraw/zinc/74/48/47/611744847.db2.gz VIRDJLCADDCUHH-LZWOXQAQSA-N 1 1 345.424 0.640 20 30 ECEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)C2=O)cc1 ZINC000933724220 611744849 /nfs/dbraw/zinc/74/48/49/611744849.db2.gz VIRDJLCADDCUHH-LZWOXQAQSA-N 1 1 345.424 0.640 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@@H](C)C1 ZINC000947943194 611750388 /nfs/dbraw/zinc/75/03/88/611750388.db2.gz JDNZQSOEXQDEGQ-KBPBESRZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@@H](C)C1 ZINC000947943194 611750389 /nfs/dbraw/zinc/75/03/89/611750389.db2.gz JDNZQSOEXQDEGQ-KBPBESRZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cncs1 ZINC000948994143 611793178 /nfs/dbraw/zinc/79/31/78/611793178.db2.gz SMXQSVSDJQRJKX-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cncs1 ZINC000948994143 611793181 /nfs/dbraw/zinc/79/31/81/611793181.db2.gz SMXQSVSDJQRJKX-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1CCC2(COC2)O1 ZINC000929822701 611797426 /nfs/dbraw/zinc/79/74/26/611797426.db2.gz CPZRUHCHXYMZLH-KGLIPLIRSA-N 1 1 329.404 0.807 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1CCC2(COC2)O1 ZINC000929822701 611797427 /nfs/dbraw/zinc/79/74/27/611797427.db2.gz CPZRUHCHXYMZLH-KGLIPLIRSA-N 1 1 329.404 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC000950648148 611816597 /nfs/dbraw/zinc/81/65/97/611816597.db2.gz CIPVPEVHWKEBGW-QXSJWSMHSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC000950648148 611816599 /nfs/dbraw/zinc/81/65/99/611816599.db2.gz CIPVPEVHWKEBGW-QXSJWSMHSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000934838591 611824919 /nfs/dbraw/zinc/82/49/19/611824919.db2.gz NDXXINYIELZJBV-MSOLQXFVSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1onc(C)c1C ZINC000950697153 611845584 /nfs/dbraw/zinc/84/55/84/611845584.db2.gz XZVJURHEPGJWLI-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1onc(C)c1C ZINC000950697153 611845587 /nfs/dbraw/zinc/84/55/87/611845587.db2.gz XZVJURHEPGJWLI-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC000949095333 611852077 /nfs/dbraw/zinc/85/20/77/611852077.db2.gz HXJNQYPSDTZLMJ-HOTGVXAUSA-N 1 1 348.447 0.067 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(F)nc1 ZINC000949140275 611871826 /nfs/dbraw/zinc/87/18/26/611871826.db2.gz YZXLFLDEVGYQBI-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(F)nc1 ZINC000949140275 611871827 /nfs/dbraw/zinc/87/18/27/611871827.db2.gz YZXLFLDEVGYQBI-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cn(CC)cn1 ZINC000950755816 611891372 /nfs/dbraw/zinc/89/13/72/611891372.db2.gz VDVHKZHLUYSWIR-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cn(CC)cn1 ZINC000950755816 611891373 /nfs/dbraw/zinc/89/13/73/611891373.db2.gz VDVHKZHLUYSWIR-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1coc(C)n1 ZINC000950755860 611892041 /nfs/dbraw/zinc/89/20/41/611892041.db2.gz WKFSZSNCBGNEFX-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1coc(C)n1 ZINC000950755860 611892044 /nfs/dbraw/zinc/89/20/44/611892044.db2.gz WKFSZSNCBGNEFX-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000950196744 611901891 /nfs/dbraw/zinc/90/18/91/611901891.db2.gz CVYWVZIRQAHISD-GJZGRUSLSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000950196744 611901894 /nfs/dbraw/zinc/90/18/94/611901894.db2.gz CVYWVZIRQAHISD-GJZGRUSLSA-N 1 1 343.431 0.239 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000949243991 611917306 /nfs/dbraw/zinc/91/73/06/611917306.db2.gz UBDFOWRYHYROLZ-IAGOWNOFSA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000949243991 611917309 /nfs/dbraw/zinc/91/73/09/611917309.db2.gz UBDFOWRYHYROLZ-IAGOWNOFSA-N 1 1 341.411 0.329 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000950252477 611929454 /nfs/dbraw/zinc/92/94/54/611929454.db2.gz RZSALJSJKDPTHT-OWCLPIDISA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 ZINC000949340376 611944473 /nfs/dbraw/zinc/94/44/73/611944473.db2.gz LTDBGSRYHMWNQC-HNNXBMFYSA-N 1 1 334.416 0.656 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950862578 611951116 /nfs/dbraw/zinc/95/11/16/611951116.db2.gz JHCBLWQJBAIEER-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC000949405718 611966984 /nfs/dbraw/zinc/96/69/84/611966984.db2.gz GUYMQXRUHSVIJN-UHFFFAOYSA-N 1 1 343.427 0.716 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000949490418 612003429 /nfs/dbraw/zinc/00/34/29/612003429.db2.gz AFFWKCPQHNAHFL-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498718 612008420 /nfs/dbraw/zinc/00/84/20/612008420.db2.gz TVLTZALYCBUCPK-SWLSCSKDSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cncn2C)C1 ZINC000950534473 612057970 /nfs/dbraw/zinc/05/79/70/612057970.db2.gz WKXWVOYFAYIRIQ-KRWDZBQOSA-N 1 1 329.448 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cncn2C)C1 ZINC000950534473 612057971 /nfs/dbraw/zinc/05/79/71/612057971.db2.gz WKXWVOYFAYIRIQ-KRWDZBQOSA-N 1 1 329.448 0.550 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(CC)C(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC000949796283 612078948 /nfs/dbraw/zinc/07/89/48/612078948.db2.gz GRDIXXFNAVAHDN-HOTGVXAUSA-N 1 1 334.464 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC000951223446 612088257 /nfs/dbraw/zinc/08/82/57/612088257.db2.gz HVPYNADXXKJNFJ-WBVHZDCISA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC000951223446 612088258 /nfs/dbraw/zinc/08/82/58/612088258.db2.gz HVPYNADXXKJNFJ-WBVHZDCISA-N 1 1 340.427 0.900 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000951875581 612107211 /nfs/dbraw/zinc/10/72/11/612107211.db2.gz ILHJDPKOHNMDKT-NWDGAFQWSA-N 1 1 333.392 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c(C)n[nH]c1C ZINC000951548631 612335172 /nfs/dbraw/zinc/33/51/72/612335172.db2.gz RQAZGQNNHCRYKF-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c(C)n[nH]c1C ZINC000951548631 612335177 /nfs/dbraw/zinc/33/51/77/612335177.db2.gz RQAZGQNNHCRYKF-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000952281881 612344048 /nfs/dbraw/zinc/34/40/48/612344048.db2.gz RWRRLWUHOGRECC-AWEZNQCLSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cccnc1C ZINC000951576917 612358844 /nfs/dbraw/zinc/35/88/44/612358844.db2.gz FTPYDILKCOYGJW-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cccnc1C ZINC000951576917 612358849 /nfs/dbraw/zinc/35/88/49/612358849.db2.gz FTPYDILKCOYGJW-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)Cn3cc[nH+]c3C)C2)c1 ZINC000955263660 612393361 /nfs/dbraw/zinc/39/33/61/612393361.db2.gz IKCLQCZKEQRUFO-UHFFFAOYSA-N 1 1 337.383 0.551 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000952407826 612413875 /nfs/dbraw/zinc/41/38/75/612413875.db2.gz SRNJDFIATLSJPL-IAQYHMDHSA-N 1 1 340.387 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CCOC2)C1 ZINC000953931538 612460515 /nfs/dbraw/zinc/46/05/15/612460515.db2.gz RZZVGHIUFHCYLR-ZBFHGGJFSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CCOC2)C1 ZINC000953931538 612460516 /nfs/dbraw/zinc/46/05/16/612460516.db2.gz RZZVGHIUFHCYLR-ZBFHGGJFSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000954630416 612467010 /nfs/dbraw/zinc/46/70/10/612467010.db2.gz AWHDIPNLUPBMNP-BBWFWOEESA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000954630416 612467014 /nfs/dbraw/zinc/46/70/14/612467014.db2.gz AWHDIPNLUPBMNP-BBWFWOEESA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2ccccc2)C1 ZINC000954630760 612467839 /nfs/dbraw/zinc/46/78/39/612467839.db2.gz ITERJUCIEGXZGK-SFHVURJKSA-N 1 1 339.439 0.996 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2ccccc2)C1 ZINC000954630760 612467842 /nfs/dbraw/zinc/46/78/42/612467842.db2.gz ITERJUCIEGXZGK-SFHVURJKSA-N 1 1 339.439 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](OC)C2CC2)C1 ZINC000954631089 612469434 /nfs/dbraw/zinc/46/94/34/612469434.db2.gz ORDATFMRDZHCJY-HOTGVXAUSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](OC)C2CC2)C1 ZINC000954631089 612469437 /nfs/dbraw/zinc/46/94/37/612469437.db2.gz ORDATFMRDZHCJY-HOTGVXAUSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2(C3CC3)CC2)C1 ZINC000954631325 612469703 /nfs/dbraw/zinc/46/97/03/612469703.db2.gz WPXLGUNCKZCHHF-INIZCTEOSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2(C3CC3)CC2)C1 ZINC000954631325 612469706 /nfs/dbraw/zinc/46/97/06/612469706.db2.gz WPXLGUNCKZCHHF-INIZCTEOSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccnnc2C)C1 ZINC000954631616 612470630 /nfs/dbraw/zinc/47/06/30/612470630.db2.gz ZWMGJSFQSKIXAC-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccnnc2C)C1 ZINC000954631616 612470633 /nfs/dbraw/zinc/47/06/33/612470633.db2.gz ZWMGJSFQSKIXAC-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000955353241 612486719 /nfs/dbraw/zinc/48/67/19/612486719.db2.gz ZJSNULYPDYFRAK-ABAIWWIYSA-N 1 1 329.404 0.367 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000951710285 612490245 /nfs/dbraw/zinc/49/02/45/612490245.db2.gz HZKKXYWSKKQRKO-IKGGRYGDSA-N 1 1 348.447 0.369 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000953999204 612537027 /nfs/dbraw/zinc/53/70/27/612537027.db2.gz GBPOJMYRBMWNOV-BXUZGUMPSA-N 1 1 329.404 0.509 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC000955974790 612549894 /nfs/dbraw/zinc/54/98/94/612549894.db2.gz OACZOWXGFGVZNP-GJZGRUSLSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000954044867 612585808 /nfs/dbraw/zinc/58/58/08/612585808.db2.gz VCBNPEIMCHJFLK-INIZCTEOSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000954044867 612585811 /nfs/dbraw/zinc/58/58/11/612585811.db2.gz VCBNPEIMCHJFLK-INIZCTEOSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccccc2O)C1 ZINC000953768314 612601574 /nfs/dbraw/zinc/60/15/74/612601574.db2.gz NCJFAMDSBCVFFN-INIZCTEOSA-N 1 1 341.411 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccccc2O)C1 ZINC000953768314 612601580 /nfs/dbraw/zinc/60/15/80/612601580.db2.gz NCJFAMDSBCVFFN-INIZCTEOSA-N 1 1 341.411 0.773 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC000956019342 612616864 /nfs/dbraw/zinc/61/68/64/612616864.db2.gz AGRXUMTUEGDLMI-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCCO2)C1 ZINC000954068366 612623059 /nfs/dbraw/zinc/62/30/59/612623059.db2.gz MGAYHUUEZNURQB-HOTGVXAUSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCCO2)C1 ZINC000954068366 612623061 /nfs/dbraw/zinc/62/30/61/612623061.db2.gz MGAYHUUEZNURQB-HOTGVXAUSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)C2=CCOCC2)C1 ZINC000956851851 612635112 /nfs/dbraw/zinc/63/51/12/612635112.db2.gz OJDJWMYTIUZKEK-LPHOPBHVSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)C2=CCOCC2)C1 ZINC000956851851 612635113 /nfs/dbraw/zinc/63/51/13/612635113.db2.gz OJDJWMYTIUZKEK-LPHOPBHVSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2cnon2)CC1 ZINC000954188097 612748283 /nfs/dbraw/zinc/74/82/83/612748283.db2.gz ZKPOASWJRGXDNU-HNNXBMFYSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2cnon2)CC1 ZINC000954188097 612748284 /nfs/dbraw/zinc/74/82/84/612748284.db2.gz ZKPOASWJRGXDNU-HNNXBMFYSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C)nn2)C1 ZINC000954234671 612785453 /nfs/dbraw/zinc/78/54/53/612785453.db2.gz HHVAFEYMDYHBHV-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C)nn2)C1 ZINC000954234671 612785454 /nfs/dbraw/zinc/78/54/54/612785454.db2.gz HHVAFEYMDYHBHV-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC000954918030 612786852 /nfs/dbraw/zinc/78/68/52/612786852.db2.gz YLDLECOXMDUNFM-INIZCTEOSA-N 1 1 326.400 0.440 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000954328717 612860094 /nfs/dbraw/zinc/86/00/94/612860094.db2.gz FWCHYEFOFDITJQ-CABCVRRESA-N 1 1 332.404 0.452 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CCN(C(=O)CC)CC2)C1 ZINC000956567781 612913678 /nfs/dbraw/zinc/91/36/78/612913678.db2.gz TXIFBQIMBFATTK-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CCN(C(=O)CC)CC2)C1 ZINC000956567781 612913679 /nfs/dbraw/zinc/91/36/79/612913679.db2.gz TXIFBQIMBFATTK-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cc(C)no2)C1 ZINC000956696130 612934151 /nfs/dbraw/zinc/93/41/51/612934151.db2.gz SXAQLLOGUJWBIK-KSSFIOAISA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cc(C)no2)C1 ZINC000956696130 612934152 /nfs/dbraw/zinc/93/41/52/612934152.db2.gz SXAQLLOGUJWBIK-KSSFIOAISA-N 1 1 344.415 0.801 20 30 ECEDMO N#Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C#N)c1 ZINC001164739294 720663253 /nfs/dbraw/zinc/66/32/53/720663253.db2.gz MTIJVCFJDMLBPK-HZPDHXFCSA-N 1 1 347.382 0.957 20 30 ECEDMO C=CC[NH+]1CCN(c2nc3c(ncn3C)c(N3CCOCC3)n2)CC1 ZINC001165031276 721865490 /nfs/dbraw/zinc/86/54/90/721865490.db2.gz BKDYULFPXZPIGF-UHFFFAOYSA-N 1 1 343.435 0.508 20 30 ECEDMO Cn1cc(C[NH2+]C[C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)nn1 ZINC001024933181 738408186 /nfs/dbraw/zinc/40/81/86/738408186.db2.gz VCDKLYUKRIMPJI-OAHLLOKOSA-N 1 1 327.392 0.799 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001024966344 738436835 /nfs/dbraw/zinc/43/68/35/738436835.db2.gz RTDNGKMYTMHKOV-CLCXKQKWSA-N 1 1 349.475 0.763 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]c(CC)n1 ZINC001104530347 738440250 /nfs/dbraw/zinc/44/02/50/738440250.db2.gz NEDCKRVYWQPWDM-ZDUSSCGKSA-N 1 1 331.420 0.746 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001104537100 738446453 /nfs/dbraw/zinc/44/64/53/738446453.db2.gz APBWZLUJBWSCSW-OCCSQVGLSA-N 1 1 332.408 0.246 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001104537100 738446455 /nfs/dbraw/zinc/44/64/55/738446455.db2.gz APBWZLUJBWSCSW-OCCSQVGLSA-N 1 1 332.408 0.246 20 30 ECEDMO Cc1nsc(NC[C@H](C)N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001104538149 738447022 /nfs/dbraw/zinc/44/70/22/738447022.db2.gz LFUCNDHPYHTMCA-GWCFXTLKSA-N 1 1 337.449 0.913 20 30 ECEDMO Cc1nsc(NC[C@H](C)N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001104538149 738447024 /nfs/dbraw/zinc/44/70/24/738447024.db2.gz LFUCNDHPYHTMCA-GWCFXTLKSA-N 1 1 337.449 0.913 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)Cc3ccon3)C(C)(C)C2)C1=O ZINC000972975266 738460038 /nfs/dbraw/zinc/46/00/38/738460038.db2.gz IVGOYQIZYNFGES-GJZGRUSLSA-N 1 1 346.431 0.831 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)Cc3ccon3)C(C)(C)C2)C1=O ZINC000972975266 738460040 /nfs/dbraw/zinc/46/00/40/738460040.db2.gz IVGOYQIZYNFGES-GJZGRUSLSA-N 1 1 346.431 0.831 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(=O)[C@H]1CCC[N@H+]1C ZINC000987925861 751340939 /nfs/dbraw/zinc/34/09/39/751340939.db2.gz RSRMSYXNDBDGAJ-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)c2[nH]nnc2C)C1=O ZINC001025037029 738521382 /nfs/dbraw/zinc/52/13/82/738521382.db2.gz URUBBSKZXPDWMT-KGLIPLIRSA-N 1 1 346.435 0.484 20 30 ECEDMO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCS1(=O)=O ZINC000969153354 731534115 /nfs/dbraw/zinc/53/41/15/731534115.db2.gz FZAQVLFWEYGOFM-HUUCEWRRSA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCS1(=O)=O ZINC000969153354 731534118 /nfs/dbraw/zinc/53/41/18/731534118.db2.gz FZAQVLFWEYGOFM-HUUCEWRRSA-N 1 1 326.462 0.948 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)nc1 ZINC001041793100 782220157 /nfs/dbraw/zinc/22/01/57/782220157.db2.gz DJKQPIOYHKZBPF-VQIMIIECSA-N 1 1 338.411 0.489 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccccn3)C2)C1=O ZINC000969199145 731585640 /nfs/dbraw/zinc/58/56/40/731585640.db2.gz MYKUDMOJXMHKTO-XJKSGUPXSA-N 1 1 328.416 0.919 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)cn1 ZINC001041795050 782224923 /nfs/dbraw/zinc/22/49/23/782224923.db2.gz ZCDQGNVUGCUCJH-IBGZPJMESA-N 1 1 340.427 0.689 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1COCCO1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969321457 731717859 /nfs/dbraw/zinc/71/78/59/731717859.db2.gz DOMFCBRMBFWOBD-QAPCUYQASA-N 1 1 328.412 0.890 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cnsn3)C2)C1=O ZINC000969346377 731746565 /nfs/dbraw/zinc/74/65/65/731746565.db2.gz PXFRBCWHVORVFT-MFKMUULPSA-N 1 1 335.433 0.375 20 30 ECEDMO CC1(C)C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973007926 738535509 /nfs/dbraw/zinc/53/55/09/738535509.db2.gz CARQPOABPANECA-CQSZACIVSA-N 1 1 327.392 0.618 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001211501544 731778099 /nfs/dbraw/zinc/77/80/99/731778099.db2.gz JJTVQHNYTYFPEY-VNHYZAJKSA-N 1 1 333.436 0.262 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001211501544 731778102 /nfs/dbraw/zinc/77/81/02/731778102.db2.gz JJTVQHNYTYFPEY-VNHYZAJKSA-N 1 1 333.436 0.262 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)C3=COCCC3)C2)C1=O ZINC000969395324 731796489 /nfs/dbraw/zinc/79/64/89/731796489.db2.gz HWDNFAJECDDAHY-BBRMVZONSA-N 1 1 333.432 0.904 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cnn(CC)c3)C2)C1=O ZINC000969418646 731842413 /nfs/dbraw/zinc/84/24/13/731842413.db2.gz UMNILMCPMYLKJK-CZUORRHYSA-N 1 1 345.447 0.740 20 30 ECEDMO C=C(Br)CN1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969441686 731884200 /nfs/dbraw/zinc/88/42/00/731884200.db2.gz LTZLSBJADLGDLB-YPMHNXCESA-N 1 1 346.269 0.662 20 30 ECEDMO C=C(Br)CN1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969441686 731884207 /nfs/dbraw/zinc/88/42/07/731884207.db2.gz LTZLSBJADLGDLB-YPMHNXCESA-N 1 1 346.269 0.662 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccn(C)c3)C2)C1=O ZINC000969495158 731927248 /nfs/dbraw/zinc/92/72/48/731927248.db2.gz WIGLFNYJFTUSBG-XJKSGUPXSA-N 1 1 330.432 0.862 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccn(C)c3)C2)C1=O ZINC000969495134 731929943 /nfs/dbraw/zinc/92/99/43/731929943.db2.gz WIGLFNYJFTUSBG-BBRMVZONSA-N 1 1 330.432 0.862 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000969514857 731935604 /nfs/dbraw/zinc/93/56/04/731935604.db2.gz UUQPLKPIWTVOAY-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2ccc(OC)nn2)CC1 ZINC001098524076 731990761 /nfs/dbraw/zinc/99/07/61/731990761.db2.gz AUSYZUDSBTZICN-UHFFFAOYSA-N 1 1 332.404 0.407 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969592744 731991395 /nfs/dbraw/zinc/99/13/95/731991395.db2.gz AHXPFLLYRVUKNP-IAQYHMDHSA-N 1 1 328.372 0.603 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000969592769 731991480 /nfs/dbraw/zinc/99/14/80/731991480.db2.gz AUMJPSAZPJCGFT-BMIGLBTASA-N 1 1 346.362 0.742 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cnnn3CC)C2)C1=O ZINC000969624890 732007036 /nfs/dbraw/zinc/00/70/36/732007036.db2.gz OGQUJFGQIRSFBK-OCCSQVGLSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC000973037534 738570811 /nfs/dbraw/zinc/57/08/11/738570811.db2.gz UHSZEDKYIMQXTO-VGWMRTNUSA-N 1 1 343.431 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC000973037534 738570812 /nfs/dbraw/zinc/57/08/12/738570812.db2.gz UHSZEDKYIMQXTO-VGWMRTNUSA-N 1 1 343.431 0.305 20 30 ECEDMO CC1(C)C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973048518 738581454 /nfs/dbraw/zinc/58/14/54/738581454.db2.gz SLAUXCLVICYNEM-CHWSQXEVSA-N 1 1 343.387 0.132 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973048518 738581456 /nfs/dbraw/zinc/58/14/56/738581456.db2.gz SLAUXCLVICYNEM-CHWSQXEVSA-N 1 1 343.387 0.132 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cnn(C)c2)C1 ZINC000969867756 732462564 /nfs/dbraw/zinc/46/25/64/732462564.db2.gz GCGHCXPTPLFMEV-PBHICJAKSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nccn2CC)C1 ZINC000969868988 732466515 /nfs/dbraw/zinc/46/65/15/732466515.db2.gz NFVCPUJZTWHEPN-WBVHZDCISA-N 1 1 343.475 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nccn2CC)C1 ZINC000969868988 732466517 /nfs/dbraw/zinc/46/65/17/732466517.db2.gz NFVCPUJZTWHEPN-WBVHZDCISA-N 1 1 343.475 0.937 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3c(C)ncn3C)C2)C1=O ZINC000969895625 732489896 /nfs/dbraw/zinc/48/98/96/732489896.db2.gz BYLCOYJCHBMCAM-DOMZBBRYSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC001041820845 782269892 /nfs/dbraw/zinc/26/98/92/782269892.db2.gz ZDECICMKKDSWFJ-QGZVFWFLSA-N 1 1 334.420 0.381 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001041819205 782266519 /nfs/dbraw/zinc/26/65/19/782266519.db2.gz BZKBAEJBKYIZGQ-KRWDZBQOSA-N 1 1 334.420 0.429 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCO[C@@H]3CN(CC#N)C[C@@H]31)C2 ZINC001083194078 732657635 /nfs/dbraw/zinc/65/76/35/732657635.db2.gz VLCWLDYLVXTIOD-VNQPRFMTSA-N 1 1 329.404 0.189 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncoc2C)C1 ZINC000973077619 738645950 /nfs/dbraw/zinc/64/59/50/738645950.db2.gz PBHNFIGBWCHBAH-IHRRRGAJSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncoc2C)C1 ZINC000973077619 738645954 /nfs/dbraw/zinc/64/59/54/738645954.db2.gz PBHNFIGBWCHBAH-IHRRRGAJSA-N 1 1 330.388 0.458 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)CC(=O)NCC2CC2)CC1 ZINC001098529188 732917070 /nfs/dbraw/zinc/91/70/70/732917070.db2.gz XRGCUEJILGMHOV-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001078104633 782307019 /nfs/dbraw/zinc/30/70/19/782307019.db2.gz PDFPJCFYZYJAOP-GHMZBOCLSA-N 1 1 330.310 0.237 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC001041840245 782319070 /nfs/dbraw/zinc/31/90/70/782319070.db2.gz WUOHFGKCFMGVMQ-AEFFLSMTSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)nn1 ZINC000970204870 733197871 /nfs/dbraw/zinc/19/78/71/733197871.db2.gz XWEZLAGFULBGIG-GFCCVEGCSA-N 1 1 342.407 0.464 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)nn1 ZINC000970205866 733199092 /nfs/dbraw/zinc/19/90/92/733199092.db2.gz OTJWXBWPWASHBO-GFCCVEGCSA-N 1 1 345.411 0.036 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970263789 733272611 /nfs/dbraw/zinc/27/26/11/733272611.db2.gz FLDYJFRNSWVTIJ-PBHICJAKSA-N 1 1 325.412 0.611 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC001041851201 782335767 /nfs/dbraw/zinc/33/57/67/782335767.db2.gz VOJJNNSAIZPRJT-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC001041851200 782336506 /nfs/dbraw/zinc/33/65/06/782336506.db2.gz VOJJNNSAIZPRJT-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970341261 733393458 /nfs/dbraw/zinc/39/34/58/733393458.db2.gz WKGWGHNZCMVHBG-LBPRGKRZSA-N 1 1 337.383 0.892 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000970355349 733405393 /nfs/dbraw/zinc/40/53/93/733405393.db2.gz YTBXHYZZXJVULB-MEBBXXQBSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970430646 733521964 /nfs/dbraw/zinc/52/19/64/733521964.db2.gz FEWIUMAVULAYAH-KMUNFCNLSA-N 1 1 344.390 0.755 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@@H](CC)C(N)=O)C2)nn1 ZINC000970562190 733677052 /nfs/dbraw/zinc/67/70/52/733677052.db2.gz HCQWGOSKFZATKR-RISCZKNCSA-N 1 1 334.424 0.168 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000970661948 733790341 /nfs/dbraw/zinc/79/03/41/733790341.db2.gz GVGISDIYODXWGP-KGLIPLIRSA-N 1 1 331.420 0.388 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNc1ncccc1C#N ZINC001111583677 733900603 /nfs/dbraw/zinc/90/06/03/733900603.db2.gz JZTGMKDMMSTQHZ-OAHLLOKOSA-N 1 1 331.420 0.670 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCCC3)C2)nc1 ZINC000970765017 733922334 /nfs/dbraw/zinc/92/23/34/733922334.db2.gz YQPIEVPCHJTUPP-CQSZACIVSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc(C(C)C)nc1C ZINC001114942623 733932228 /nfs/dbraw/zinc/93/22/28/733932228.db2.gz OGRNBZRNFGIVOW-NHAGDIPZSA-N 1 1 344.415 0.516 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc(C(C)C)nc1C ZINC001114942623 733932230 /nfs/dbraw/zinc/93/22/30/733932230.db2.gz OGRNBZRNFGIVOW-NHAGDIPZSA-N 1 1 344.415 0.516 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1=O ZINC001210811749 734030197 /nfs/dbraw/zinc/03/01/97/734030197.db2.gz QKENGLGHMLKVRU-JKSUJKDBSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(C)on3)C2)C1=O ZINC000971035621 734195978 /nfs/dbraw/zinc/19/59/78/734195978.db2.gz VDIAMDDIRYXSSE-DZGCQCFKSA-N 1 1 332.404 0.916 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001078161161 782405109 /nfs/dbraw/zinc/40/51/09/782405109.db2.gz HVMVOQLSSFNZEE-HUUCEWRRSA-N 1 1 328.376 0.013 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001078162624 782407036 /nfs/dbraw/zinc/40/70/36/782407036.db2.gz ZUBFNBFFNLXLGF-NUEKZKHPSA-N 1 1 335.448 0.515 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 ZINC001104323320 734303154 /nfs/dbraw/zinc/30/31/54/734303154.db2.gz OCDGWPCOCBTZFJ-CYBMUJFWSA-N 1 1 332.408 0.011 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cnns3)C2)C1=O ZINC000971147924 734319422 /nfs/dbraw/zinc/31/94/22/734319422.db2.gz WOXZDDZQZAEPND-RYUDHWBXSA-N 1 1 335.433 0.471 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC([N@H+](CCO)C[C@@H](C)O)CC1 ZINC001098548836 734339642 /nfs/dbraw/zinc/33/96/42/734339642.db2.gz ZWYSGCCHQSRERL-MRXNPFEDSA-N 1 1 344.455 0.877 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC)C1 ZINC001111988295 738806550 /nfs/dbraw/zinc/80/65/50/738806550.db2.gz AYIYLYWVPPBPFV-DZKIICNBSA-N 1 1 343.493 0.861 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971289055 734421861 /nfs/dbraw/zinc/42/18/61/734421861.db2.gz ODXCRDQLUGPERI-CYBMUJFWSA-N 1 1 330.392 0.058 20 30 ECEDMO C[N@@H+](CCN1CCCC1=O)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971290156 734423567 /nfs/dbraw/zinc/42/35/67/734423567.db2.gz YNAWZUMTQLVCCJ-CQSZACIVSA-N 1 1 329.404 0.655 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnn3c2C[C@@H](C)CC3)CC1 ZINC001098550607 734456104 /nfs/dbraw/zinc/45/61/04/734456104.db2.gz WQUDMQZXEAENBD-HNNXBMFYSA-N 1 1 344.459 0.998 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H](C)C3)[C@H]2C1 ZINC001083216165 734459601 /nfs/dbraw/zinc/45/96/01/734459601.db2.gz LHDFQKDTFGKVCP-OWCLPIDISA-N 1 1 335.448 0.733 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000971357730 734471364 /nfs/dbraw/zinc/47/13/64/734471364.db2.gz VIBWWKMXNDLRCX-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000971357730 734471366 /nfs/dbraw/zinc/47/13/66/734471366.db2.gz VIBWWKMXNDLRCX-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@@H+]2CC(N)=O)c[nH]1 ZINC001025218337 738827690 /nfs/dbraw/zinc/82/76/90/738827690.db2.gz KJFMESQEMPSOJX-CABCVRRESA-N 1 1 329.404 0.831 20 30 ECEDMO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@H]1C ZINC001104354024 734611582 /nfs/dbraw/zinc/61/15/82/734611582.db2.gz OXDQLRZWUJKLAK-BRWVUGGUSA-N 1 1 348.491 0.294 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971452733 734612860 /nfs/dbraw/zinc/61/28/60/734612860.db2.gz VHLSZDOPJWVKMQ-DZGCQCFKSA-N 1 1 346.362 0.838 20 30 ECEDMO C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511420 734698147 /nfs/dbraw/zinc/69/81/47/734698147.db2.gz LNJTWHOUNJROIU-JKSUJKDBSA-N 1 1 338.473 0.757 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511420 734698149 /nfs/dbraw/zinc/69/81/49/734698149.db2.gz LNJTWHOUNJROIU-JKSUJKDBSA-N 1 1 338.473 0.757 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4n[nH]c(=O)n4c3)[C@H]2C1 ZINC001083221900 734824699 /nfs/dbraw/zinc/82/46/99/734824699.db2.gz WXSKRXWYNAAIIR-UONOGXRCSA-N 1 1 343.387 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ncc(C)cn2)C1 ZINC000971703345 734964511 /nfs/dbraw/zinc/96/45/11/734964511.db2.gz FCVBUPIFOLSTSB-IRXDYDNUSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ncc(C)cn2)C1 ZINC000971703345 734964514 /nfs/dbraw/zinc/96/45/14/734964514.db2.gz FCVBUPIFOLSTSB-IRXDYDNUSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2snnc2C)C1 ZINC000971704003 734965457 /nfs/dbraw/zinc/96/54/57/734965457.db2.gz OZWZARZQHZBGIH-GJZGRUSLSA-N 1 1 347.488 0.977 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2snnc2C)C1 ZINC000971704003 734965459 /nfs/dbraw/zinc/96/54/59/734965459.db2.gz OZWZARZQHZBGIH-GJZGRUSLSA-N 1 1 347.488 0.977 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)Nc2cncc(C#N)n2)C1 ZINC001098214933 735171739 /nfs/dbraw/zinc/17/17/39/735171739.db2.gz CDMIUWNGCWWOQL-JSGCOSHPSA-N 1 1 332.408 0.374 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001098558432 735256165 /nfs/dbraw/zinc/25/61/65/735256165.db2.gz CJAGTBKLDLUTIH-UHFFFAOYSA-N 1 1 343.427 0.708 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]nc3C)C2)C1=O ZINC000972053857 735584102 /nfs/dbraw/zinc/58/41/02/735584102.db2.gz WKLWVACWSFXIST-UKRRQHHQSA-N 1 1 331.420 0.651 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCC(=O)NC3=O)C2)cc1 ZINC000972058549 735594147 /nfs/dbraw/zinc/59/41/47/735594147.db2.gz KKQWZQNMQVNXFT-HOTGVXAUSA-N 1 1 339.395 0.619 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3nccn4cc(C)nc34)[C@H]2C1 ZINC001083243271 735675258 /nfs/dbraw/zinc/67/52/58/735675258.db2.gz SWVBWJDAXJMABI-LSDHHAIUSA-N 1 1 339.399 0.586 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC001098564384 735689542 /nfs/dbraw/zinc/68/95/42/735689542.db2.gz YYVXPESLXCQOMJ-UHFFFAOYSA-N 1 1 334.420 0.589 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972205253 735782723 /nfs/dbraw/zinc/78/27/23/735782723.db2.gz CTBCFCBIEJLCJD-UKRRQHHQSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972221317 735805970 /nfs/dbraw/zinc/80/59/70/735805970.db2.gz AWBMLHZDFFMHJW-LLVKDONJSA-N 1 1 332.429 0.918 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001098566542 735835841 /nfs/dbraw/zinc/83/58/41/735835841.db2.gz BCISUUPTGXTYCQ-KRWDZBQOSA-N 1 1 339.480 0.569 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 ZINC000972247683 735837151 /nfs/dbraw/zinc/83/71/51/735837151.db2.gz GDEOJAPSVSSELU-SFHVURJKSA-N 1 1 335.448 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)c1 ZINC000972284451 735889159 /nfs/dbraw/zinc/88/91/59/735889159.db2.gz JRHYJYIAQIUZIE-MRXNPFEDSA-N 1 1 326.400 0.442 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)c1 ZINC000972284451 735889162 /nfs/dbraw/zinc/88/91/62/735889162.db2.gz JRHYJYIAQIUZIE-MRXNPFEDSA-N 1 1 326.400 0.442 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCCN(C)C3=O)[C@H]2C1 ZINC001083246724 735968202 /nfs/dbraw/zinc/96/82/02/735968202.db2.gz HDUZSCJEHQJYNH-HRCADAONSA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCCN(C)C3=O)[C@H]2C1 ZINC001083246724 735968206 /nfs/dbraw/zinc/96/82/06/735968206.db2.gz HDUZSCJEHQJYNH-HRCADAONSA-N 1 1 333.432 0.180 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCN2C(=O)CCC2=O)C1 ZINC000972376164 736040860 /nfs/dbraw/zinc/04/08/60/736040860.db2.gz YILYVFDGHPVRHO-ZNMIVQPWSA-N 1 1 349.431 0.259 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CCC(=O)N(CC)CC)CC1 ZINC001098569657 736080443 /nfs/dbraw/zinc/08/04/43/736080443.db2.gz XAKUJFOBJAKECO-UHFFFAOYSA-N 1 1 337.464 0.554 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc4ccccc4n3)[C@H]2C1 ZINC001083251002 736088675 /nfs/dbraw/zinc/08/86/75/736088675.db2.gz WDWJLBNVBZKYPC-ZWKOTPCHSA-N 1 1 338.411 0.971 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc4ccccc4n3)[C@H]2C1 ZINC001083251002 736088680 /nfs/dbraw/zinc/08/86/80/736088680.db2.gz WDWJLBNVBZKYPC-ZWKOTPCHSA-N 1 1 338.411 0.971 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn4c(n3)CCC4)C2)C1 ZINC000972389572 736106615 /nfs/dbraw/zinc/10/66/15/736106615.db2.gz QLHLSMJLDSMVTP-SFHVURJKSA-N 1 1 328.416 0.770 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn4c(n3)CCC4)C2)C1 ZINC000972389572 736106617 /nfs/dbraw/zinc/10/66/17/736106617.db2.gz QLHLSMJLDSMVTP-SFHVURJKSA-N 1 1 328.416 0.770 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C(C)(C)NC(=O)NC)CC1 ZINC001098570590 736118300 /nfs/dbraw/zinc/11/83/00/736118300.db2.gz DPESWZMZKJPMBI-UHFFFAOYSA-N 1 1 338.452 0.003 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ccnn3C)C2)C1 ZINC000972402939 736128261 /nfs/dbraw/zinc/12/82/61/736128261.db2.gz XZIAEDHSCLOOKN-GOSISDBHSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ccnn3C)C2)C1 ZINC000972402939 736128263 /nfs/dbraw/zinc/12/82/63/736128263.db2.gz XZIAEDHSCLOOKN-GOSISDBHSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4ccnn43)C2)C1 ZINC000972407997 736137635 /nfs/dbraw/zinc/13/76/35/736137635.db2.gz IEKIVKBCDGFQSS-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4ccnn43)C2)C1 ZINC000972407997 736137636 /nfs/dbraw/zinc/13/76/36/736137636.db2.gz IEKIVKBCDGFQSS-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@]2(C1)C[N@H+](C[C@H](C)O)CCO2 ZINC000972414284 736151604 /nfs/dbraw/zinc/15/16/04/736151604.db2.gz YUYUJWNDOGDCKM-YJBOKZPZSA-N 1 1 333.432 0.972 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@]2(C1)C[N@@H+](C[C@H](C)O)CCO2 ZINC000972414284 736151607 /nfs/dbraw/zinc/15/16/07/736151607.db2.gz YUYUJWNDOGDCKM-YJBOKZPZSA-N 1 1 333.432 0.972 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC000972412890 736153120 /nfs/dbraw/zinc/15/31/20/736153120.db2.gz BPFSPNYRANFJEB-KRWDZBQOSA-N 1 1 332.404 0.769 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC000972412890 736153123 /nfs/dbraw/zinc/15/31/23/736153123.db2.gz BPFSPNYRANFJEB-KRWDZBQOSA-N 1 1 332.404 0.769 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 ZINC000972422972 736168694 /nfs/dbraw/zinc/16/86/94/736168694.db2.gz ROVDJJJZQRBFGI-ZWKOTPCHSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 ZINC000972422972 736168699 /nfs/dbraw/zinc/16/86/99/736168699.db2.gz ROVDJJJZQRBFGI-ZWKOTPCHSA-N 1 1 335.448 0.782 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@@]3(C2)CN(CC#N)CCO3)no1 ZINC000972444295 736211201 /nfs/dbraw/zinc/21/12/01/736211201.db2.gz QVXFWHJRPSVGNL-INIZCTEOSA-N 1 1 333.392 0.177 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(C)c3)C2)C1 ZINC000972448705 736227998 /nfs/dbraw/zinc/22/79/98/736227998.db2.gz BZXRASDEPZRBTA-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]32)cn1 ZINC001083253474 736262471 /nfs/dbraw/zinc/26/24/71/736262471.db2.gz QNVQNSPOVPQOHZ-JCGIZDLHSA-N 1 1 341.411 0.625 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C2)C1 ZINC000972491840 736375438 /nfs/dbraw/zinc/37/54/38/736375438.db2.gz CCJIXBBFYUKXFE-SFHVURJKSA-N 1 1 346.431 0.500 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C2)C1 ZINC000972491840 736375443 /nfs/dbraw/zinc/37/54/43/736375443.db2.gz CCJIXBBFYUKXFE-SFHVURJKSA-N 1 1 346.431 0.500 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cnc(C)cn3)C2)nn1 ZINC000972502715 736433085 /nfs/dbraw/zinc/43/30/85/736433085.db2.gz YAOXMZATWUIIMQ-HNNXBMFYSA-N 1 1 341.419 0.909 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cnc(C)cn3)C2)nn1 ZINC000972502715 736433088 /nfs/dbraw/zinc/43/30/88/736433088.db2.gz YAOXMZATWUIIMQ-HNNXBMFYSA-N 1 1 341.419 0.909 20 30 ECEDMO Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)n1C ZINC001111589690 736460245 /nfs/dbraw/zinc/46/02/45/736460245.db2.gz JWNGAUUXPJLEKJ-KSSFIOAISA-N 1 1 343.431 0.558 20 30 ECEDMO Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)n1C ZINC001111589690 736460246 /nfs/dbraw/zinc/46/02/46/736460246.db2.gz JWNGAUUXPJLEKJ-KSSFIOAISA-N 1 1 343.431 0.558 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3nccnc3C)C2)nn1 ZINC000972507537 736463487 /nfs/dbraw/zinc/46/34/87/736463487.db2.gz XNYXUJJURIUVAN-AWEZNQCLSA-N 1 1 341.419 0.909 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3nccnc3C)C2)nn1 ZINC000972507537 736463490 /nfs/dbraw/zinc/46/34/90/736463490.db2.gz XNYXUJJURIUVAN-AWEZNQCLSA-N 1 1 341.419 0.909 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513502 736509614 /nfs/dbraw/zinc/50/96/14/736509614.db2.gz HNRZOSNVEVMIEX-ZWKOTPCHSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513502 736509618 /nfs/dbraw/zinc/50/96/18/736509618.db2.gz HNRZOSNVEVMIEX-ZWKOTPCHSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cocn3)C2)C1=O ZINC001023275080 736640375 /nfs/dbraw/zinc/64/03/75/736640375.db2.gz GBNHIEWRNIPWNZ-DZGCQCFKSA-N 1 1 332.404 0.903 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4cccnc4C3)[C@H]2C1 ZINC001083259558 736646554 /nfs/dbraw/zinc/64/65/54/736646554.db2.gz HJPPNRPKXAQFKI-BPQIPLTHSA-N 1 1 325.412 0.731 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4cccnc4C3)[C@H]2C1 ZINC001083259558 736646555 /nfs/dbraw/zinc/64/65/55/736646555.db2.gz HJPPNRPKXAQFKI-BPQIPLTHSA-N 1 1 325.412 0.731 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972542883 736652550 /nfs/dbraw/zinc/65/25/50/736652550.db2.gz FLYWPLIRMSYQLT-CRAIPNDOSA-N 1 1 335.448 0.925 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001038266720 736655483 /nfs/dbraw/zinc/65/54/83/736655483.db2.gz NFSQZBKPWOFQMV-ZNMIVQPWSA-N 1 1 336.436 0.183 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001038266720 736655486 /nfs/dbraw/zinc/65/54/86/736655486.db2.gz NFSQZBKPWOFQMV-ZNMIVQPWSA-N 1 1 336.436 0.183 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)c[nH]1 ZINC001023320151 736680528 /nfs/dbraw/zinc/68/05/28/736680528.db2.gz UBWFWMVJXYBZHL-DOMZBBRYSA-N 1 1 329.404 0.607 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023365683 736739511 /nfs/dbraw/zinc/73/95/11/736739511.db2.gz JAOILBQLYQYUOP-GJZGRUSLSA-N 1 1 343.431 0.614 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nccn4ccnc34)C2)C1 ZINC000972558225 736759367 /nfs/dbraw/zinc/75/93/67/736759367.db2.gz YXYZKQOWIVOASL-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3nccn4ccnc34)C2)C1 ZINC000972558225 736759368 /nfs/dbraw/zinc/75/93/68/736759368.db2.gz YXYZKQOWIVOASL-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001023403309 736779798 /nfs/dbraw/zinc/77/97/98/736779798.db2.gz JBUUHDZCKLJIPP-JKSUJKDBSA-N 1 1 335.448 0.333 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001023404305 736787906 /nfs/dbraw/zinc/78/79/06/736787906.db2.gz RTMXUCYLNACREN-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001023465084 736870838 /nfs/dbraw/zinc/87/08/38/736870838.db2.gz LACZLAHMLZZRAW-GFCCVEGCSA-N 1 1 341.433 0.945 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)NC)n3)[C@H]2C1 ZINC001083261511 736930429 /nfs/dbraw/zinc/93/04/29/736930429.db2.gz YFJGCHZDUMNPAE-JKSUJKDBSA-N 1 1 344.415 0.543 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)NC)n3)[C@H]2C1 ZINC001083261511 736930432 /nfs/dbraw/zinc/93/04/32/736930432.db2.gz YFJGCHZDUMNPAE-JKSUJKDBSA-N 1 1 344.415 0.543 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001023512592 736939718 /nfs/dbraw/zinc/93/97/18/736939718.db2.gz QPVQYFIEJKWROJ-CYBMUJFWSA-N 1 1 327.388 0.406 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncc(OC)n3)C2)C1 ZINC000972582256 736944871 /nfs/dbraw/zinc/94/48/71/736944871.db2.gz JDRVHMIHDJQHMF-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2ccc(N(C)C)cn2)CC1 ZINC001098577535 736948199 /nfs/dbraw/zinc/94/81/99/736948199.db2.gz LUACVNZAAFRWTK-UHFFFAOYSA-N 1 1 330.432 0.680 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001023526783 736958277 /nfs/dbraw/zinc/95/82/77/736958277.db2.gz LSRCKVQANNVGBG-NVXWUHKLSA-N 1 1 325.412 0.998 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001023543580 736987692 /nfs/dbraw/zinc/98/76/92/736987692.db2.gz MTOVMNTXUSNKNC-MRXNPFEDSA-N 1 1 338.415 0.704 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)c1 ZINC001023583462 737040025 /nfs/dbraw/zinc/04/00/25/737040025.db2.gz IDJSXBSVQIXIBJ-DZGCQCFKSA-N 1 1 328.416 0.639 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC000972616939 737104411 /nfs/dbraw/zinc/10/44/11/737104411.db2.gz KBRBLKSWPTZWDE-SFHVURJKSA-N 1 1 346.431 0.513 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001023637472 737123353 /nfs/dbraw/zinc/12/33/53/737123353.db2.gz MLPBOFXIPRFKAP-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)nn1 ZINC001023638186 737125400 /nfs/dbraw/zinc/12/54/00/737125400.db2.gz ZICLDHRKZULADF-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccn(C)n3)C2)nn1 ZINC001023638186 737125401 /nfs/dbraw/zinc/12/54/01/737125401.db2.gz ZICLDHRKZULADF-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001023644748 737133618 /nfs/dbraw/zinc/13/36/18/737133618.db2.gz RNKUXQAXRWYPDD-KBPBESRZSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972635602 737185286 /nfs/dbraw/zinc/18/52/86/737185286.db2.gz SGFGBMKDUFZXRG-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972635602 737185287 /nfs/dbraw/zinc/18/52/87/737185287.db2.gz SGFGBMKDUFZXRG-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972639052 737202684 /nfs/dbraw/zinc/20/26/84/737202684.db2.gz OZFCOQUFHFUIOZ-KBXCAEBGSA-N 1 1 345.447 0.789 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O ZINC001023690281 737209877 /nfs/dbraw/zinc/20/98/77/737209877.db2.gz HFWKDPATPJENJR-IXDOHACOSA-N 1 1 347.459 0.351 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001023707912 737225798 /nfs/dbraw/zinc/22/57/98/737225798.db2.gz ZVZQPVUDBFFCQF-KBPBESRZSA-N 1 1 344.415 0.409 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)cn1 ZINC001023709844 737228008 /nfs/dbraw/zinc/22/80/08/737228008.db2.gz CZPOWGCEZFRKSD-UONOGXRCSA-N 1 1 328.416 0.639 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3nonc3C)C2)C1=O ZINC000972645751 737243806 /nfs/dbraw/zinc/24/38/06/737243806.db2.gz XHDMDDQSARGSTR-ZFWWWQNUSA-N 1 1 347.419 0.240 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001023725942 737247306 /nfs/dbraw/zinc/24/73/06/737247306.db2.gz UIRHEITWLQRWFH-GFCCVEGCSA-N 1 1 325.372 0.805 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023753499 737299677 /nfs/dbraw/zinc/29/96/77/737299677.db2.gz HRQUAIQSSULWOM-KGLIPLIRSA-N 1 1 329.466 0.473 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCN(C(C)=O)CC3)C2)C1 ZINC000972668700 737311583 /nfs/dbraw/zinc/31/15/83/737311583.db2.gz BKMBZGPHVNNEGL-LJQANCHMSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCN(C(C)=O)CC3)C2)C1 ZINC000972668700 737311589 /nfs/dbraw/zinc/31/15/89/737311589.db2.gz BKMBZGPHVNNEGL-LJQANCHMSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001023763688 737325797 /nfs/dbraw/zinc/32/57/97/737325797.db2.gz XPLBKWBIEZNZJF-CQSZACIVSA-N 1 1 348.451 0.384 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncnc3CC)C2)C1 ZINC000972682215 737370164 /nfs/dbraw/zinc/37/01/64/737370164.db2.gz DSOLKVYDBUXBPE-SFHVURJKSA-N 1 1 328.416 0.979 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncnc3CC)C2)C1 ZINC000972682215 737370169 /nfs/dbraw/zinc/37/01/69/737370169.db2.gz DSOLKVYDBUXBPE-SFHVURJKSA-N 1 1 328.416 0.979 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689672 737387918 /nfs/dbraw/zinc/38/79/18/737387918.db2.gz YUTXZRJWYYBVFN-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689672 737387924 /nfs/dbraw/zinc/38/79/24/737387924.db2.gz YUTXZRJWYYBVFN-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972708866 737521648 /nfs/dbraw/zinc/52/16/48/737521648.db2.gz XDOKBAZIVFXCSJ-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972708866 737521652 /nfs/dbraw/zinc/52/16/52/737521652.db2.gz XDOKBAZIVFXCSJ-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3cncn3C)C2)C1=O ZINC000972722976 737548862 /nfs/dbraw/zinc/54/88/62/737548862.db2.gz FXPJHCHHIRWSLY-HOCLYGCPSA-N 1 1 345.447 0.282 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCN(CC)C3=O)C2)nc1 ZINC000972757044 737597931 /nfs/dbraw/zinc/59/79/31/737597931.db2.gz SLZWNKJTFHSECV-RDJZCZTQSA-N 1 1 340.427 0.830 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001098583997 737639702 /nfs/dbraw/zinc/63/97/02/737639702.db2.gz JPSRRXZSRLWVBS-HNNXBMFYSA-N 1 1 338.452 0.391 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794249 737685050 /nfs/dbraw/zinc/68/50/50/737685050.db2.gz NUQLGVPYBRWKDY-HNNXBMFYSA-N 1 1 339.403 0.572 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794249 737685054 /nfs/dbraw/zinc/68/50/54/737685054.db2.gz NUQLGVPYBRWKDY-HNNXBMFYSA-N 1 1 339.403 0.572 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001024136547 737747251 /nfs/dbraw/zinc/74/72/51/737747251.db2.gz LMHXOZOSDGNXHS-RBSFLKMASA-N 1 1 337.464 0.761 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3nc4nccc(C)n4n3)[C@H]2C1 ZINC001083265786 737754104 /nfs/dbraw/zinc/75/41/04/737754104.db2.gz QQWISYAPJGPJBM-UONOGXRCSA-N 1 1 342.403 0.534 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3nc4nccc(C)n4n3)[C@H]2C1 ZINC001083265786 737754107 /nfs/dbraw/zinc/75/41/07/737754107.db2.gz QQWISYAPJGPJBM-UONOGXRCSA-N 1 1 342.403 0.534 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001024469024 737996564 /nfs/dbraw/zinc/99/65/64/737996564.db2.gz TWJGTVVSLXDUOE-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001039761091 738038328 /nfs/dbraw/zinc/03/83/28/738038328.db2.gz YROQIFGMDWQKMS-KBXCAEBGSA-N 1 1 335.448 0.067 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001024515554 738049500 /nfs/dbraw/zinc/04/95/00/738049500.db2.gz VESFIWYWQMWTMS-KGLIPLIRSA-N 1 1 331.420 0.540 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]2CCC[N@@H+](CC(N)=O)[C@H]21 ZINC001087280660 738082269 /nfs/dbraw/zinc/08/22/69/738082269.db2.gz SFCVKCNVHVQWLR-KCPJHIHWSA-N 1 1 329.404 0.590 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@@H]21 ZINC001087287737 738118104 /nfs/dbraw/zinc/11/81/04/738118104.db2.gz MDMHOAYTRVVGSE-MGPQQGTHSA-N 1 1 326.462 0.822 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@@H]21 ZINC001087287737 738118106 /nfs/dbraw/zinc/11/81/06/738118106.db2.gz MDMHOAYTRVVGSE-MGPQQGTHSA-N 1 1 326.462 0.822 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCNC(=O)C1 ZINC001087298404 738157053 /nfs/dbraw/zinc/15/70/53/738157053.db2.gz FPLZASXLZNQFRS-FHLIZLRMSA-N 1 1 346.475 0.047 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N2CCC2)c1 ZINC001024644602 738197019 /nfs/dbraw/zinc/19/70/19/738197019.db2.gz UGWGVYXEWQEERZ-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N2CCC2)c1 ZINC001024644602 738197022 /nfs/dbraw/zinc/19/70/22/738197022.db2.gz UGWGVYXEWQEERZ-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CCO)[C@H]3C2(C)C)nn1 ZINC001087305992 738203710 /nfs/dbraw/zinc/20/37/10/738203710.db2.gz BQKGAVKXXTYTNL-BPLDGKMQSA-N 1 1 333.436 0.675 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001024663809 738209135 /nfs/dbraw/zinc/20/91/35/738209135.db2.gz MDIHTGMPSPFEQN-HUUCEWRRSA-N 1 1 330.436 0.620 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ccnnc2)C1=O ZINC001024674087 738214607 /nfs/dbraw/zinc/21/46/07/738214607.db2.gz RCNHSRCQAMCYJI-HZPDHXFCSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ccnnc2)C1=O ZINC001024674087 738214610 /nfs/dbraw/zinc/21/46/10/738214610.db2.gz RCNHSRCQAMCYJI-HZPDHXFCSA-N 1 1 343.431 0.848 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001024703960 738235966 /nfs/dbraw/zinc/23/59/66/738235966.db2.gz UBTOPPQHPXPJLH-HZPDHXFCSA-N 1 1 346.431 0.626 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)CC1=O ZINC001038313400 738258891 /nfs/dbraw/zinc/25/88/91/738258891.db2.gz WUESIAMXFHUGIR-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)CC1=O ZINC001038313400 738258894 /nfs/dbraw/zinc/25/88/94/738258894.db2.gz WUESIAMXFHUGIR-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)CC1=O ZINC001038313392 738261936 /nfs/dbraw/zinc/26/19/36/738261936.db2.gz WUESIAMXFHUGIR-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)CC1=O ZINC001038313392 738261938 /nfs/dbraw/zinc/26/19/38/738261938.db2.gz WUESIAMXFHUGIR-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC(N)=O)[C@H]3C2(C)C)nc1 ZINC001087315191 738263033 /nfs/dbraw/zinc/26/30/33/738263033.db2.gz XPCISTNPTHHQFC-IAOVAPTHSA-N 1 1 340.427 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CC(N)=O)[C@H]3C2(C)C)nc1 ZINC001087315191 738263035 /nfs/dbraw/zinc/26/30/35/738263035.db2.gz XPCISTNPTHHQFC-IAOVAPTHSA-N 1 1 340.427 0.767 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@@H]21 ZINC001087317247 738283620 /nfs/dbraw/zinc/28/36/20/738283620.db2.gz FRASMOPKEDUKDE-KCPJHIHWSA-N 1 1 334.420 0.329 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@@H]21 ZINC001087318578 738284717 /nfs/dbraw/zinc/28/47/17/738284717.db2.gz ZRCIRQLWMVSNIH-DAXOMENPSA-N 1 1 346.431 0.167 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@H]21 ZINC001087318265 738289919 /nfs/dbraw/zinc/28/99/19/738289919.db2.gz UMUZZGRBSPQOON-WQVCFCJDSA-N 1 1 348.447 0.720 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083272234 738301654 /nfs/dbraw/zinc/30/16/54/738301654.db2.gz AVGKANWZMFZYHS-JKSUJKDBSA-N 1 1 327.384 0.334 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025257200 738942731 /nfs/dbraw/zinc/94/27/31/738942731.db2.gz BQMIXFVDNYIUGR-CVEARBPZSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(N)=O)cc1 ZINC001028182968 751401342 /nfs/dbraw/zinc/40/13/42/751401342.db2.gz JGQAYVFKXAZMDB-UKRRQHHQSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(N)=O)cc1 ZINC001028182968 751401346 /nfs/dbraw/zinc/40/13/46/751401346.db2.gz JGQAYVFKXAZMDB-UKRRQHHQSA-N 1 1 329.400 0.767 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O ZINC001025283895 739008945 /nfs/dbraw/zinc/00/89/45/739008945.db2.gz CHGPNVXHNLGHGF-CABCVRRESA-N 1 1 348.447 0.960 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001111999686 739071528 /nfs/dbraw/zinc/07/15/28/739071528.db2.gz WLKVEOGEQQKXTG-HOCLYGCPSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000973330773 739096581 /nfs/dbraw/zinc/09/65/81/739096581.db2.gz QTMDUDZGPDFVPV-FPCVCCKLSA-N 1 1 346.431 0.936 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cn(C)nc2C)nn1 ZINC001028188070 751420811 /nfs/dbraw/zinc/42/08/11/751420811.db2.gz SEIXNNJQTDRXSP-HNNXBMFYSA-N 1 1 343.435 0.900 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cn(C)nc2C)nn1 ZINC001028188070 751420816 /nfs/dbraw/zinc/42/08/16/751420816.db2.gz SEIXNNJQTDRXSP-HNNXBMFYSA-N 1 1 343.435 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC000973393854 739200539 /nfs/dbraw/zinc/20/05/39/739200539.db2.gz HAPUDVFIGWLHFH-SYQHCUMBSA-N 1 1 339.386 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC000973393854 739200544 /nfs/dbraw/zinc/20/05/44/739200544.db2.gz HAPUDVFIGWLHFH-SYQHCUMBSA-N 1 1 339.386 0.893 20 30 ECEDMO C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104623038 739257106 /nfs/dbraw/zinc/25/71/06/739257106.db2.gz QSCQIBFRHTZHGN-CYBMUJFWSA-N 1 1 332.408 0.329 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981994853 751429736 /nfs/dbraw/zinc/42/97/36/751429736.db2.gz UTJFHOIMGRJXOX-CABCVRRESA-N 1 1 336.436 0.137 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC000973457605 739317254 /nfs/dbraw/zinc/31/72/54/739317254.db2.gz ODQOPNPCNZOKDQ-WKILWMFISA-N 1 1 337.383 0.645 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001025391559 739366715 /nfs/dbraw/zinc/36/67/15/739366715.db2.gz STLSVXAWUNMVJU-KBPBESRZSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001104704696 739509907 /nfs/dbraw/zinc/50/99/07/739509907.db2.gz BPTHBSFBZKIEJS-STQMWFEESA-N 1 1 339.403 0.803 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC000982009110 751455534 /nfs/dbraw/zinc/45/55/34/751455534.db2.gz FTDQAUUBFFGWAQ-LSDHHAIUSA-N 1 1 333.432 0.180 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC000982009379 751456802 /nfs/dbraw/zinc/45/68/02/751456802.db2.gz OGFRJGVNJDNIRF-QWHCGFSZSA-N 1 1 341.839 0.696 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC000982009379 751456806 /nfs/dbraw/zinc/45/68/06/751456806.db2.gz OGFRJGVNJDNIRF-QWHCGFSZSA-N 1 1 341.839 0.696 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC23CCN(c2ccc(C#N)nn2)CC3)C1 ZINC001058636946 739557174 /nfs/dbraw/zinc/55/71/74/739557174.db2.gz YFKSRFBZQRKSDH-HIFRSBDPSA-N 1 1 340.431 0.775 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001025478461 739636393 /nfs/dbraw/zinc/63/63/93/739636393.db2.gz QFOCMCFSMBFOSG-GJZGRUSLSA-N 1 1 348.447 0.906 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282539 739651514 /nfs/dbraw/zinc/65/15/14/739651514.db2.gz IIRGFWKWYFAJPG-SOUVJXGZSA-N 1 1 331.420 0.247 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282539 739651517 /nfs/dbraw/zinc/65/15/17/739651517.db2.gz IIRGFWKWYFAJPG-SOUVJXGZSA-N 1 1 331.420 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001025489428 739651802 /nfs/dbraw/zinc/65/18/02/739651802.db2.gz PFPVETKYZUMHSU-QWHCGFSZSA-N 1 1 326.404 0.827 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)c(C)sc3=O)[C@H]2C1 ZINC001083283847 739745415 /nfs/dbraw/zinc/74/54/15/739745415.db2.gz XDWIZMCDUDQSRW-LSDHHAIUSA-N 1 1 349.456 0.462 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)c(C)sc3=O)[C@H]2C1 ZINC001083283847 739745419 /nfs/dbraw/zinc/74/54/19/739745419.db2.gz XDWIZMCDUDQSRW-LSDHHAIUSA-N 1 1 349.456 0.462 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025614542 739776838 /nfs/dbraw/zinc/77/68/38/739776838.db2.gz LRLJOWNIVDOZFV-OLZOCXBDSA-N 1 1 329.404 0.429 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCCN(CC(=O)NC)C2)CC1 ZINC001025629063 739793386 /nfs/dbraw/zinc/79/33/86/739793386.db2.gz ZOYNEQAZXNCWMK-WBVHZDCISA-N 1 1 348.491 0.294 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001025630769 739796771 /nfs/dbraw/zinc/79/67/71/739796771.db2.gz VSSUYWKMQJXCBS-UONOGXRCSA-N 1 1 348.451 0.560 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CC2)C[C@H]1C(F)(F)F ZINC001112033598 739965322 /nfs/dbraw/zinc/96/53/22/739965322.db2.gz QEMIGXGZZOMVOS-GHMZBOCLSA-N 1 1 332.326 0.405 20 30 ECEDMO NC(=O)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC#Cc1ccccc1 ZINC001087384267 740031864 /nfs/dbraw/zinc/03/18/64/740031864.db2.gz DFCVUXHJTHLHEF-FJIDUMEYSA-N 1 1 337.423 0.692 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087437963 751509275 /nfs/dbraw/zinc/50/92/75/751509275.db2.gz VOFKPAVUPTVGLU-WCXIOVBPSA-N 1 1 325.412 0.715 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087437963 751509279 /nfs/dbraw/zinc/50/92/79/751509279.db2.gz VOFKPAVUPTVGLU-WCXIOVBPSA-N 1 1 325.412 0.715 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001070006986 790308273 /nfs/dbraw/zinc/30/82/73/790308273.db2.gz SMIKSABEMUQDCU-KFWWJZLASA-N 1 1 346.435 0.207 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cccnc32)[C@@H](n2ccnn2)C1 ZINC001070010531 790315139 /nfs/dbraw/zinc/31/51/39/790315139.db2.gz ZOBWHVSGDBXKFU-OAGGEKHMSA-N 1 1 338.415 0.931 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cccnc32)[C@@H](n2ccnn2)C1 ZINC001070010531 790315145 /nfs/dbraw/zinc/31/51/45/790315145.db2.gz ZOBWHVSGDBXKFU-OAGGEKHMSA-N 1 1 338.415 0.931 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2cnon2)C1 ZINC000988089557 751518809 /nfs/dbraw/zinc/51/88/09/751518809.db2.gz WQCKPJFKVBMNAL-HIFRSBDPSA-N 1 1 345.403 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2cnon2)C1 ZINC000988089557 751518811 /nfs/dbraw/zinc/51/88/11/751518811.db2.gz WQCKPJFKVBMNAL-HIFRSBDPSA-N 1 1 345.403 0.088 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCO[C@H]2C=C)C1=O ZINC001026057056 740344253 /nfs/dbraw/zinc/34/42/53/740344253.db2.gz WNPXBYWKFHNULW-XDKXFUCDSA-N 1 1 345.443 0.411 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026096071 740373856 /nfs/dbraw/zinc/37/38/56/740373856.db2.gz NOSDZWQZFOTWHW-PFHJDOJBSA-N 1 1 347.459 0.683 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]2(C)CCOC2)C1=O ZINC001026124205 740392525 /nfs/dbraw/zinc/39/25/25/740392525.db2.gz WWWNNPJDDGMPTQ-CGSPGFDNSA-N 1 1 333.432 0.246 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC(C(=O)N(C)C)CC1 ZINC001026139146 740407842 /nfs/dbraw/zinc/40/78/42/740407842.db2.gz RHFYTJBQCGMCQM-NDQLQDMOSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC000982067917 751544542 /nfs/dbraw/zinc/54/45/42/751544542.db2.gz SVWDYNWZOFNGOV-UHFFFAOYSA-N 1 1 325.372 0.606 20 30 ECEDMO CC[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112048805 740482599 /nfs/dbraw/zinc/48/25/99/740482599.db2.gz LEVHKOYKNFTBOD-HBNTYKKESA-N 1 1 334.342 0.651 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)nn1 ZINC001087395765 740579212 /nfs/dbraw/zinc/57/92/12/740579212.db2.gz HWADNMQLKSMUKI-HWMZRRJGSA-N 1 1 345.447 0.629 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@H]1C(F)(F)F ZINC001112054874 740650784 /nfs/dbraw/zinc/65/07/84/740650784.db2.gz BNCAXSUVTUNDKY-MWLCHTKSSA-N 1 1 346.309 0.569 20 30 ECEDMO Cc1cc(N(C)CCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001112055254 740653980 /nfs/dbraw/zinc/65/39/80/740653980.db2.gz JBZVWOOGELWVAB-QGZVFWFLSA-N 1 1 345.447 0.877 20 30 ECEDMO Cc1cc(N(C)CCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001112055254 740653985 /nfs/dbraw/zinc/65/39/85/740653985.db2.gz JBZVWOOGELWVAB-QGZVFWFLSA-N 1 1 345.447 0.877 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000973967971 740690802 /nfs/dbraw/zinc/69/08/02/740690802.db2.gz WZWJNJXXJBSTPV-JKJDWNRSSA-N 1 1 335.448 0.825 20 30 ECEDMO CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001104914701 740914784 /nfs/dbraw/zinc/91/47/84/740914784.db2.gz CCERAHFHNYUERG-ZIAGYGMSSA-N 1 1 330.436 0.807 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC000982102901 751591726 /nfs/dbraw/zinc/59/17/26/751591726.db2.gz CVHNXMPFWLUFIX-UHFFFAOYSA-N 1 1 348.447 0.817 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC000974143389 741000589 /nfs/dbraw/zinc/00/05/89/741000589.db2.gz QFBPKUMMXHMSLY-MELADBBJSA-N 1 1 346.435 0.183 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC000982107325 751600009 /nfs/dbraw/zinc/60/00/09/751600009.db2.gz HBPVHEJCRKFFKE-HNNXBMFYSA-N 1 1 343.431 0.801 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)nc1 ZINC001087405409 741119225 /nfs/dbraw/zinc/11/92/25/741119225.db2.gz IKBHGUKFMFJVPY-LHHMISFZSA-N 1 1 325.412 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nc(C(C)C)no1 ZINC001038367911 741162553 /nfs/dbraw/zinc/16/25/53/741162553.db2.gz NTIFWHJIQDPHQX-CABCVRRESA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nc(C(C)C)no1 ZINC001038367911 741162557 /nfs/dbraw/zinc/16/25/57/741162557.db2.gz NTIFWHJIQDPHQX-CABCVRRESA-N 1 1 345.447 0.981 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1C(F)(F)F ZINC001112080621 741363888 /nfs/dbraw/zinc/36/38/88/741363888.db2.gz PWNVQAVXUQWLSI-VXGBXAGGSA-N 1 1 344.337 0.715 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]CCOCC)nn2)C1 ZINC001105224080 741502744 /nfs/dbraw/zinc/50/27/44/741502744.db2.gz WRKKZYALIHLBOL-MRXNPFEDSA-N 1 1 337.424 0.115 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCc4cn[nH]c43)C2)nn1 ZINC001105240483 741531518 /nfs/dbraw/zinc/53/15/18/741531518.db2.gz OZUMRDFRMDJHNM-HNNXBMFYSA-N 1 1 341.419 0.780 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCn3ccnn3)C2)nn1 ZINC001105259576 741580160 /nfs/dbraw/zinc/58/01/60/741580160.db2.gz FDHGOMYGZZTLRF-UHFFFAOYSA-N 1 1 330.396 0.009 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268426 741610728 /nfs/dbraw/zinc/61/07/28/741610728.db2.gz NKDPBSVODSOOPC-NVXWUHKLSA-N 1 1 342.447 0.401 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001026618414 741619893 /nfs/dbraw/zinc/61/98/93/741619893.db2.gz QRJCPTZTGDCVAS-OIISXLGYSA-N 1 1 327.428 0.461 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001026618414 741619894 /nfs/dbraw/zinc/61/98/94/741619894.db2.gz QRJCPTZTGDCVAS-OIISXLGYSA-N 1 1 327.428 0.461 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccncc3)C2)nn1 ZINC001105275133 741620765 /nfs/dbraw/zinc/62/07/65/741620765.db2.gz DLHSPTNHCYYBNF-UHFFFAOYSA-N 1 1 326.404 0.965 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001026618678 741622273 /nfs/dbraw/zinc/62/22/73/741622273.db2.gz DYSINHNHVQNSBR-RRCSTGOVSA-N 1 1 333.432 0.082 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001026618678 741622277 /nfs/dbraw/zinc/62/22/77/741622277.db2.gz DYSINHNHVQNSBR-RRCSTGOVSA-N 1 1 333.432 0.082 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@H](C)CO3)C2)nn1 ZINC001105285188 741644843 /nfs/dbraw/zinc/64/48/43/741644843.db2.gz HJFIAEOZOAVZMC-CZUORRHYSA-N 1 1 349.435 0.379 20 30 ECEDMO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)CN3CCOCC3)C2)C1 ZINC000982150771 751658601 /nfs/dbraw/zinc/65/86/01/751658601.db2.gz UUUFSRMDOWKHOT-KRWDZBQOSA-N 1 1 333.476 0.902 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)CN3CCOCC3)C2)C1 ZINC000982150771 751658605 /nfs/dbraw/zinc/65/86/05/751658605.db2.gz UUUFSRMDOWKHOT-KRWDZBQOSA-N 1 1 333.476 0.902 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 ZINC001105312152 741721392 /nfs/dbraw/zinc/72/13/92/741721392.db2.gz DGMQNZFSYSUBLD-AWEZNQCLSA-N 1 1 345.451 0.397 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)c3cncnc3)C2)nn1 ZINC001105312477 741730025 /nfs/dbraw/zinc/73/00/25/741730025.db2.gz NZMNKAHPSPAEQW-CYBMUJFWSA-N 1 1 341.419 0.921 20 30 ECEDMO C=CCCCC(=O)N1CC(n2cc(C[NH2+]C[C@@H](O)COC)nn2)C1 ZINC001105317215 741751698 /nfs/dbraw/zinc/75/16/98/741751698.db2.gz NUSGLPXRXMLSNN-OAHLLOKOSA-N 1 1 337.424 0.115 20 30 ECEDMO CC1(C)C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974471622 741777180 /nfs/dbraw/zinc/77/71/80/741777180.db2.gz IMURWULOFXJIKS-CQSZACIVSA-N 1 1 344.419 0.352 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ncn(C(C)(C)C)n3)C2)nn1 ZINC001105326971 741805544 /nfs/dbraw/zinc/80/55/44/741805544.db2.gz NLWDBFZDFYVTPB-UHFFFAOYSA-N 1 1 344.423 0.597 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(N)=O)co3)C2)nn1 ZINC001105327061 741808381 /nfs/dbraw/zinc/80/83/81/741808381.db2.gz QLQMLAAPNNQHSK-UHFFFAOYSA-N 1 1 344.375 0.333 20 30 ECEDMO C=CCC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001058733521 741847371 /nfs/dbraw/zinc/84/73/71/741847371.db2.gz AXIRVOJJHWOIEH-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cnnn3C)C(C)(C)C2)C1=O ZINC000974545034 741877930 /nfs/dbraw/zinc/87/79/30/741877930.db2.gz DKSUCZYURLTDOS-GXTWGEPZSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cnnn3C)C(C)(C)C2)C1=O ZINC000974545034 741877935 /nfs/dbraw/zinc/87/79/35/741877935.db2.gz DKSUCZYURLTDOS-GXTWGEPZSA-N 1 1 346.435 0.042 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC000982179196 751678556 /nfs/dbraw/zinc/67/85/56/751678556.db2.gz PAWFRZLILIQRHL-HOTGVXAUSA-N 1 1 333.436 0.794 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974587362 741914581 /nfs/dbraw/zinc/91/45/81/741914581.db2.gz XXPBAGPPOFBSIN-UKRRQHHQSA-N 1 1 343.431 0.613 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000982171678 751681107 /nfs/dbraw/zinc/68/11/07/751681107.db2.gz OFENGIWQMSBFDS-UHFFFAOYSA-N 1 1 326.400 0.742 20 30 ECEDMO CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000974660868 741967682 /nfs/dbraw/zinc/96/76/82/741967682.db2.gz FFJSRIWLZPZFMW-HZPDHXFCSA-N 1 1 334.464 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cnn(C)c3)C2)C1=O ZINC001006697494 751691977 /nfs/dbraw/zinc/69/19/77/751691977.db2.gz INQAHQSBAVYLGM-LSDHHAIUSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnn(C)c3)C2)C1=O ZINC001006697494 751691980 /nfs/dbraw/zinc/69/19/80/751691980.db2.gz INQAHQSBAVYLGM-LSDHHAIUSA-N 1 1 331.420 0.401 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974756955 742152926 /nfs/dbraw/zinc/15/29/26/742152926.db2.gz UHJZXLIVPNHJCU-LBPRGKRZSA-N 1 1 339.417 0.391 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974756955 742152928 /nfs/dbraw/zinc/15/29/28/742152928.db2.gz UHJZXLIVPNHJCU-LBPRGKRZSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C(C)(C)C1 ZINC000974767628 742158105 /nfs/dbraw/zinc/15/81/05/742158105.db2.gz PNDXEKCFWCQHNB-CYBMUJFWSA-N 1 1 328.376 0.393 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000974863226 742269607 /nfs/dbraw/zinc/26/96/07/742269607.db2.gz NBDSTXPOIGZACP-AWEZNQCLSA-N 1 1 329.404 0.957 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C(C)(C)C1 ZINC000974878668 742286688 /nfs/dbraw/zinc/28/66/88/742286688.db2.gz HRZQUVPXFMYEGN-ARFHVFGLSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C(C)(C)C1 ZINC000974880497 742288411 /nfs/dbraw/zinc/28/84/11/742288411.db2.gz PDUMIMLABXEKBL-GJZGRUSLSA-N 1 1 329.448 0.999 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)COC3CCOCC3)C2)nn1 ZINC001105336527 742388743 /nfs/dbraw/zinc/38/87/43/742388743.db2.gz GRBJLYBUUMUVCG-UHFFFAOYSA-N 1 1 349.435 0.523 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974994668 742421971 /nfs/dbraw/zinc/42/19/71/742421971.db2.gz LJSRBUXWJGAHIC-CABCVRRESA-N 1 1 341.415 0.566 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CC2(C)C)C1 ZINC000975025162 742442769 /nfs/dbraw/zinc/44/27/69/742442769.db2.gz IKOJJWIZLGGJHZ-STQMWFEESA-N 1 1 333.432 0.975 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)CC2(C)C)C1 ZINC000975025162 742442773 /nfs/dbraw/zinc/44/27/73/742442773.db2.gz IKOJJWIZLGGJHZ-STQMWFEESA-N 1 1 333.432 0.975 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)OC)C[C@@]3(C)C2)C1=O ZINC000982226050 751730481 /nfs/dbraw/zinc/73/04/81/751730481.db2.gz XGQRUETYCVRIEZ-QGWWYQLQSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1 ZINC000975031496 742463011 /nfs/dbraw/zinc/46/30/11/742463011.db2.gz QTTZFXWHOWYAPL-QLFBSQMISA-N 1 1 335.448 0.472 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)Cc3c[nH]cn3)C(C)(C)C2)C1=O ZINC000975100547 742481042 /nfs/dbraw/zinc/48/10/42/742481042.db2.gz YCAFSJIQPMBOPG-CABCVRRESA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)Cc3c[nH]cn3)C(C)(C)C2)C1=O ZINC000975100547 742481043 /nfs/dbraw/zinc/48/10/43/742481043.db2.gz YCAFSJIQPMBOPG-CABCVRRESA-N 1 1 345.447 0.566 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2cocn2)C1 ZINC000975154864 742540025 /nfs/dbraw/zinc/54/00/25/742540025.db2.gz OONQARCSQBWRML-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2cocn2)C1 ZINC000975154864 742540026 /nfs/dbraw/zinc/54/00/26/742540026.db2.gz OONQARCSQBWRML-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001027116460 742609655 /nfs/dbraw/zinc/60/96/55/742609655.db2.gz BPKMXQTUMQQVFG-YDHLFZDLSA-N 1 1 334.424 0.129 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC000975212696 742609872 /nfs/dbraw/zinc/60/98/72/742609872.db2.gz AOUNNOPCGHPKKR-RBSFLKMASA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000982236445 751747151 /nfs/dbraw/zinc/74/71/51/751747151.db2.gz JHVLDZYVXRFGTH-MWDDYTRKSA-N 1 1 332.404 0.122 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CCN3CCNC3=O)C[C@]2(C)C1 ZINC000982236936 751747292 /nfs/dbraw/zinc/74/72/92/751747292.db2.gz RTCSQHPPFCMGOS-RRQGHBQHSA-N 1 1 333.436 0.342 20 30 ECEDMO COCC#CC[NH2+]C1CCC2(CC1)CN(C(=O)c1ccn[nH]1)CCO2 ZINC001105456817 751768751 /nfs/dbraw/zinc/76/87/51/751768751.db2.gz XITOZRZKAPCFPC-UHFFFAOYSA-N 1 1 346.431 0.803 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC001020536080 751772237 /nfs/dbraw/zinc/77/22/37/751772237.db2.gz YMRHKTXYHCHFOQ-MDZLAQPJSA-N 1 1 333.392 0.615 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)cn1 ZINC001028936290 742922746 /nfs/dbraw/zinc/92/27/46/742922746.db2.gz TVZYTPYSPZKXID-HNNXBMFYSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC001125997655 743152707 /nfs/dbraw/zinc/15/27/07/743152707.db2.gz CIOCMYOXUYWAJM-UHFFFAOYSA-N 1 1 346.431 0.535 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001087467100 743162432 /nfs/dbraw/zinc/16/24/32/743162432.db2.gz DYMWCMZJZDOLKH-OWCLPIDISA-N 1 1 344.390 0.414 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001087467100 743162437 /nfs/dbraw/zinc/16/24/37/743162437.db2.gz DYMWCMZJZDOLKH-OWCLPIDISA-N 1 1 344.390 0.414 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([NH2+]Cc3nnc(C)o3)CC2)nn1 ZINC000997075241 743199463 /nfs/dbraw/zinc/19/94/63/743199463.db2.gz QMNRJPIKDVSBHN-UHFFFAOYSA-N 1 1 331.380 0.550 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([NH2+]Cc3nc(CC)no3)CC2)nn1 ZINC000997076116 743200637 /nfs/dbraw/zinc/20/06/37/743200637.db2.gz VJZVCFFGLKOWAH-UHFFFAOYSA-N 1 1 345.407 0.804 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001058761261 743338807 /nfs/dbraw/zinc/33/88/07/743338807.db2.gz WMPNVSNFKPDSDN-BMFZPTHFSA-N 1 1 340.431 0.788 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC([C@@H](C)NC(=O)c3cnn[nH]3)CC2)C1=O ZINC000997200978 743346175 /nfs/dbraw/zinc/34/61/75/743346175.db2.gz OUKZWTKMFSBVEY-DOMZBBRYSA-N 1 1 346.435 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000975854280 743356351 /nfs/dbraw/zinc/35/63/51/743356351.db2.gz OPUKYOYVTLDQLQ-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000975854280 743356361 /nfs/dbraw/zinc/35/63/61/743356361.db2.gz OPUKYOYVTLDQLQ-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CCN(CC#N)CC1 ZINC000997228445 743375518 /nfs/dbraw/zinc/37/55/18/743375518.db2.gz KIOIBMAMUBBQQL-KDWRMLKXSA-N 1 1 332.448 0.590 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1nccnc1C#N ZINC001126472723 743403759 /nfs/dbraw/zinc/40/37/59/743403759.db2.gz MMEUZFVWUQCDLM-HNNXBMFYSA-N 1 1 346.435 0.402 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291404 743453100 /nfs/dbraw/zinc/45/31/00/743453100.db2.gz OPMQQKCXQBKZMR-INIZCTEOSA-N 1 1 339.403 0.668 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)C1 ZINC001020584629 751836734 /nfs/dbraw/zinc/83/67/34/751836734.db2.gz JKPFENVSALZKOJ-IPYPFGDCSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cn[nH]c3)C2)C1=O ZINC001027315535 743644733 /nfs/dbraw/zinc/64/47/33/743644733.db2.gz YQTSSGMLGLHGOY-LSDHHAIUSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)c3cc(C)[nH]n3)CC2)C1=O ZINC000997585970 743691813 /nfs/dbraw/zinc/69/18/13/743691813.db2.gz QUVNYAOCSXLMHC-HNNXBMFYSA-N 1 1 345.447 0.947 20 30 ECEDMO COCCc1noc(C[NH2+]CC2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC000997616581 743712394 /nfs/dbraw/zinc/71/23/94/743712394.db2.gz CQBTUNXUWIPEHJ-LBPRGKRZSA-N 1 1 335.408 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)n[nH]c2C)C1 ZINC000997751891 743791413 /nfs/dbraw/zinc/79/14/13/743791413.db2.gz IJHZXUFPUUDXOY-AWEZNQCLSA-N 1 1 329.404 0.065 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)n[nH]c2C)C1 ZINC000997751891 743791414 /nfs/dbraw/zinc/79/14/14/743791414.db2.gz IJHZXUFPUUDXOY-AWEZNQCLSA-N 1 1 329.404 0.065 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)OC ZINC000997769933 743800097 /nfs/dbraw/zinc/80/00/97/743800097.db2.gz RYZVZZXDBCPSRD-QRJUGERDSA-N 1 1 333.432 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)OC ZINC000997769933 743800108 /nfs/dbraw/zinc/80/01/08/743800108.db2.gz RYZVZZXDBCPSRD-QRJUGERDSA-N 1 1 333.432 0.367 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001027337165 743800149 /nfs/dbraw/zinc/80/01/49/743800149.db2.gz ZHCJMXSZCVNZNG-GXTWGEPZSA-N 1 1 342.403 0.605 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001027337165 743800153 /nfs/dbraw/zinc/80/01/53/743800153.db2.gz ZHCJMXSZCVNZNG-GXTWGEPZSA-N 1 1 342.403 0.605 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976322075 743813722 /nfs/dbraw/zinc/81/37/22/743813722.db2.gz GTPOBSSPLGRKCI-LQKXBSAESA-N 1 1 341.415 0.557 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344252 743826987 /nfs/dbraw/zinc/82/69/87/743826987.db2.gz RLQNKJLOULMCKJ-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344252 743826991 /nfs/dbraw/zinc/82/69/91/743826991.db2.gz RLQNKJLOULMCKJ-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(C)C1 ZINC000976344728 743842999 /nfs/dbraw/zinc/84/29/99/743842999.db2.gz PLNPMJRDUJYRHB-RMGMUHOQSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(C)C1 ZINC000976344728 743843004 /nfs/dbraw/zinc/84/30/04/743843004.db2.gz PLNPMJRDUJYRHB-RMGMUHOQSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C=C1CCC1 ZINC000976345156 743843639 /nfs/dbraw/zinc/84/36/39/743843639.db2.gz WJTRGTMRCLODJP-UIBIWLFHSA-N 1 1 327.428 0.767 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C=C1CCC1 ZINC000976345156 743843644 /nfs/dbraw/zinc/84/36/44/743843644.db2.gz WJTRGTMRCLODJP-UIBIWLFHSA-N 1 1 327.428 0.767 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CCN([C@@H](C)C(N)=O)CC2)CC1 ZINC000997875399 743862930 /nfs/dbraw/zinc/86/29/30/743862930.db2.gz ZTJUOFGXTCWNGY-GJZGRUSLSA-N 1 1 348.491 0.422 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000976410113 743920339 /nfs/dbraw/zinc/92/03/39/743920339.db2.gz URNNZUXMNFLULB-XUWVNRHRSA-N 1 1 341.415 0.557 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000998115849 743985910 /nfs/dbraw/zinc/98/59/10/743985910.db2.gz KQRHSSLEJAJNBW-OWCLPIDISA-N 1 1 335.448 0.746 20 30 ECEDMO C=CCn1cc(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC(=O)NC)CC2)nn1 ZINC000998140964 744000703 /nfs/dbraw/zinc/00/07/03/744000703.db2.gz LRXBCCBCZODKQT-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ncccc2F)C1 ZINC000998181151 744034315 /nfs/dbraw/zinc/03/43/15/744034315.db2.gz GQTJQRDEBVRTQL-INIZCTEOSA-N 1 1 344.390 0.188 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ncccc2F)C1 ZINC000998181151 744034319 /nfs/dbraw/zinc/03/43/19/744034319.db2.gz GQTJQRDEBVRTQL-INIZCTEOSA-N 1 1 344.390 0.188 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000998194906 744043159 /nfs/dbraw/zinc/04/31/59/744043159.db2.gz FTKOWTPJUUFBMW-CQSZACIVSA-N 1 1 348.451 0.656 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000998196576 744044311 /nfs/dbraw/zinc/04/43/11/744044311.db2.gz JLWPKAXCPLGDAO-GJZGRUSLSA-N 1 1 341.477 0.404 20 30 ECEDMO C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC(N)=O)CC[C@H]1C(F)(F)F ZINC000998253714 744079055 /nfs/dbraw/zinc/07/90/55/744079055.db2.gz XUBZSQYPXAXMEE-BDAKNGLRSA-N 1 1 327.734 0.983 20 30 ECEDMO N#CCN[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000998301912 744108349 /nfs/dbraw/zinc/10/83/49/744108349.db2.gz INQZWSUITNHKER-STQMWFEESA-N 1 1 348.369 0.601 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]32)C1 ZINC000976670362 744203229 /nfs/dbraw/zinc/20/32/29/744203229.db2.gz KBQVEUTXTLGHQD-SUJAAXHWSA-N 1 1 332.448 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](OC)C3CC3)C[C@H]21 ZINC000976738332 744264255 /nfs/dbraw/zinc/26/42/55/744264255.db2.gz DAEYPFQOXWRYKL-NNXHMXCWSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](OC)C3CC3)C[C@H]21 ZINC000976738332 744264258 /nfs/dbraw/zinc/26/42/58/744264258.db2.gz DAEYPFQOXWRYKL-NNXHMXCWSA-N 1 1 345.443 0.082 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC000976778476 744300569 /nfs/dbraw/zinc/30/05/69/744300569.db2.gz JJOONBWIBMOYNS-WUWHUORYSA-N 1 1 331.376 0.082 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCOCC3=O)C[C@@]2(C)C1 ZINC000982297995 751907025 /nfs/dbraw/zinc/90/70/25/751907025.db2.gz WWSFRSNYZGALFC-KDURUIRLSA-N 1 1 349.475 0.982 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001059875497 751911691 /nfs/dbraw/zinc/91/16/91/751911691.db2.gz BFIFLLBATRLALK-CHWSQXEVSA-N 1 1 347.419 0.864 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)c1ncccc1O ZINC001126110173 744480497 /nfs/dbraw/zinc/48/04/97/744480497.db2.gz KFGOEVDSWKMEFX-CYBMUJFWSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)c3[nH]nnc3C)C2)C1=O ZINC000999213208 744569736 /nfs/dbraw/zinc/56/97/36/744569736.db2.gz NTINAPIZOBMBKX-BPCQOVAHSA-N 1 1 332.408 0.093 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000977024093 744576656 /nfs/dbraw/zinc/57/66/56/744576656.db2.gz AFRZSKYOIXSIBY-HPFXQQBRSA-N 1 1 345.443 0.082 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000977024093 744576658 /nfs/dbraw/zinc/57/66/58/744576658.db2.gz AFRZSKYOIXSIBY-HPFXQQBRSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001027463046 744593470 /nfs/dbraw/zinc/59/34/70/744593470.db2.gz QIJBYZGXIJKQOC-XQQFMLRXSA-N 1 1 334.338 0.889 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000999319919 744624137 /nfs/dbraw/zinc/62/41/37/744624137.db2.gz ODDFLIGIZPRCOY-OKILXGFUSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000999319817 744624161 /nfs/dbraw/zinc/62/41/61/744624161.db2.gz MLWXAJWUFYMIMS-MLGOLLRUSA-N 1 1 326.400 0.201 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnsn2)C1 ZINC000999389731 744670954 /nfs/dbraw/zinc/67/09/54/744670954.db2.gz BJKHAFPXOLVQQN-ZFWWWQNUSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnsn2)C1 ZINC000999389731 744670958 /nfs/dbraw/zinc/67/09/58/744670958.db2.gz BJKHAFPXOLVQQN-ZFWWWQNUSA-N 1 1 333.461 0.716 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000977196999 744748554 /nfs/dbraw/zinc/74/85/54/744748554.db2.gz OTLNMCDVOQRGKK-ICELYOSQSA-N 1 1 347.459 0.635 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000977200711 744778301 /nfs/dbraw/zinc/77/83/01/744778301.db2.gz UXUOZNNSSNVMCB-LCSDZXHASA-N 1 1 341.415 0.557 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC000977217621 744796814 /nfs/dbraw/zinc/79/68/14/744796814.db2.gz QKDJQBQDIVBUNR-LFRCEIEQSA-N 1 1 347.459 0.635 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977304340 744848743 /nfs/dbraw/zinc/84/87/43/744848743.db2.gz PKHNETSEGIDLIW-JSGCOSHPSA-N 1 1 348.451 0.429 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977304340 744848745 /nfs/dbraw/zinc/84/87/45/744848745.db2.gz PKHNETSEGIDLIW-JSGCOSHPSA-N 1 1 348.451 0.429 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1 ZINC000999877542 744985582 /nfs/dbraw/zinc/98/55/82/744985582.db2.gz ORZVYMIODHPAQM-CQSZACIVSA-N 1 1 325.412 0.950 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000999905203 745043528 /nfs/dbraw/zinc/04/35/28/745043528.db2.gz NECAIPJESITSBJ-UHFFFAOYSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cn(C3CCOCC3)nn2)C(C)(C)C1 ZINC000977488171 745082351 /nfs/dbraw/zinc/08/23/51/745082351.db2.gz RPMQYFHKNCPUQA-HNNXBMFYSA-N 1 1 331.420 0.703 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cn(C3CCOCC3)nn2)C(C)(C)C1 ZINC000977488171 745082360 /nfs/dbraw/zinc/08/23/60/745082360.db2.gz RPMQYFHKNCPUQA-HNNXBMFYSA-N 1 1 331.420 0.703 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 ZINC000999957018 745097227 /nfs/dbraw/zinc/09/72/27/745097227.db2.gz SPHKFZVSFAIPJC-JKSUJKDBSA-N 1 1 349.435 0.523 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCOC3)nn2)C1 ZINC000999957548 745098109 /nfs/dbraw/zinc/09/81/09/745098109.db2.gz VYWNHFOYUMOCMG-GDBMZVCRSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(CC)c3)nn2)C1 ZINC000999962922 745105873 /nfs/dbraw/zinc/10/58/73/745105873.db2.gz OLLXJRQFZOWYQO-HNNXBMFYSA-N 1 1 327.392 0.305 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC000999971755 745119824 /nfs/dbraw/zinc/11/98/24/745119824.db2.gz PIYABIKHMLXQOE-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)ncn3)nn2)C1 ZINC000999974326 745123504 /nfs/dbraw/zinc/12/35/04/745123504.db2.gz KJVVBZAHMGDGLY-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 ZINC000999974337 745123509 /nfs/dbraw/zinc/12/35/09/745123509.db2.gz KRUKQHWVOVSRHH-OAHLLOKOSA-N 1 1 337.387 0.678 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 ZINC000999976355 745125438 /nfs/dbraw/zinc/12/54/38/745125438.db2.gz UYBREHSDZZAGRI-HNNXBMFYSA-N 1 1 337.387 0.678 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC2(C)C)cn1 ZINC000977510081 745128397 /nfs/dbraw/zinc/12/83/97/745128397.db2.gz GSTLBRPIIILKIW-JKSUJKDBSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC2(C)C)cn1 ZINC000977510081 745128399 /nfs/dbraw/zinc/12/83/99/745128399.db2.gz GSTLBRPIIILKIW-JKSUJKDBSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[N@H+](CCCO)CC1(C)C ZINC000977510975 745129598 /nfs/dbraw/zinc/12/95/98/745129598.db2.gz HHYBQCMCZOQFCK-HNNXBMFYSA-N 1 1 331.416 0.916 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3N)nn2)C1 ZINC000999980062 745130055 /nfs/dbraw/zinc/13/00/55/745130055.db2.gz CFUZXRLCXDRQEZ-CYBMUJFWSA-N 1 1 344.423 0.347 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999987967 745143517 /nfs/dbraw/zinc/14/35/17/745143517.db2.gz RQUIBDDTCLTRSN-DLBZAZTESA-N 1 1 342.447 0.116 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000977529231 745149754 /nfs/dbraw/zinc/14/97/54/745149754.db2.gz MESYFANXKGSIRZ-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CCC)C2)nn1 ZINC000999995084 745153707 /nfs/dbraw/zinc/15/37/07/745153707.db2.gz CVRVRTZMQBYNJO-IRXDYDNUSA-N 1 1 344.463 0.649 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCN(C)C(=O)C3)nn2)C1 ZINC000999995142 745153814 /nfs/dbraw/zinc/15/38/14/745153814.db2.gz DHBPIKIWOZPVEK-UKRRQHHQSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999994606 745154022 /nfs/dbraw/zinc/15/40/22/745154022.db2.gz CMXUKZWWBBJHMY-SJORKVTESA-N 1 1 344.463 0.647 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000977532783 745154854 /nfs/dbraw/zinc/15/48/54/745154854.db2.gz WLSLJQFYIISFQR-BPLDGKMQSA-N 1 1 343.431 0.899 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)CC1(C)C ZINC000977534467 745157165 /nfs/dbraw/zinc/15/71/65/745157165.db2.gz LSCAPWXRAJORJR-MRXNPFEDSA-N 1 1 327.428 0.783 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)CC1(C)C ZINC000977534467 745157167 /nfs/dbraw/zinc/15/71/67/745157167.db2.gz LSCAPWXRAJORJR-MRXNPFEDSA-N 1 1 327.428 0.783 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncc(F)cc3F)nn2)C1 ZINC000999998484 745159345 /nfs/dbraw/zinc/15/93/45/745159345.db2.gz SNNLSOOYZYYRSL-CYBMUJFWSA-N 1 1 346.341 0.761 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(=O)cn3)nn2)C1 ZINC001000016261 745186835 /nfs/dbraw/zinc/18/68/35/745186835.db2.gz SFVROKZKCUPZHU-ZDUSSCGKSA-N 1 1 343.391 0.114 20 30 ECEDMO C#Cc1cncc(C(=O)NCc2cn([C@H]3CC[N@H+](CC#CC)C3)nn2)c1 ZINC001000021612 745192314 /nfs/dbraw/zinc/19/23/14/745192314.db2.gz QPIFOUSYKVVFGU-SFHVURJKSA-N 1 1 348.410 0.855 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001000024654 745196182 /nfs/dbraw/zinc/19/61/82/745196182.db2.gz KTUXAMPOINIDMY-HNNXBMFYSA-N 1 1 327.392 0.821 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCCC(=O)N3)nn2)C1 ZINC001000025533 745196762 /nfs/dbraw/zinc/19/67/62/745196762.db2.gz QOTWAGVJOHEYQF-GJZGRUSLSA-N 1 1 346.435 0.386 20 30 ECEDMO C=CCCn1cc(C(=O)NCc2cn([C@H]3CC[N@H+](CC)C3)nn2)nn1 ZINC001000031721 745206306 /nfs/dbraw/zinc/20/63/06/745206306.db2.gz ZXSBNTPPJQUNOI-AWEZNQCLSA-N 1 1 344.423 0.642 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001000034683 745210172 /nfs/dbraw/zinc/21/01/72/745210172.db2.gz YLNNPSAAIGDKOA-OIISXLGYSA-N 1 1 349.475 0.882 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cn([C@@H]3CC[N@H+](C(C)C)C3)nn2)nn1 ZINC001000034579 745210330 /nfs/dbraw/zinc/21/03/30/745210330.db2.gz XCMAXVYBTQBTMF-CQSZACIVSA-N 1 1 344.423 0.641 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccn(C)c1 ZINC000977567545 745213764 /nfs/dbraw/zinc/21/37/64/745213764.db2.gz KJVZGQFOOQKADV-IRXDYDNUSA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccn(C)c1 ZINC000977567545 745213771 /nfs/dbraw/zinc/21/37/71/745213771.db2.gz KJVZGQFOOQKADV-IRXDYDNUSA-N 1 1 342.443 0.796 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ncc[nH]4)[C@@H]3C2)C1=O ZINC001075771764 745215012 /nfs/dbraw/zinc/21/50/12/745215012.db2.gz CRRWBFBJQUJGLY-MELADBBJSA-N 1 1 329.404 0.343 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000977595497 745232069 /nfs/dbraw/zinc/23/20/69/745232069.db2.gz CCOAYKAZIFQAFR-OCCSQVGLSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4n[nH]cc4C)[C@@H]3C2)C1=O ZINC001075774583 745248744 /nfs/dbraw/zinc/24/87/44/745248744.db2.gz HGRNCRCZDHAZTR-RRFJBIMHSA-N 1 1 343.431 0.651 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)c3cnn(C)c3)C2)nn1 ZINC001105384754 745256512 /nfs/dbraw/zinc/25/65/12/745256512.db2.gz OARWSMNLASTGPO-LBPRGKRZSA-N 1 1 329.408 0.474 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)nn1 ZINC001098698145 745257420 /nfs/dbraw/zinc/25/74/20/745257420.db2.gz QQEAGWBEBZBSMJ-LBPRGKRZSA-N 1 1 331.380 0.080 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(C)(C)C1 ZINC000977622038 745308658 /nfs/dbraw/zinc/30/86/58/745308658.db2.gz NCNSNQGMERGKSL-CQSZACIVSA-N 1 1 348.451 0.383 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001075780427 745321624 /nfs/dbraw/zinc/32/16/24/745321624.db2.gz MIZUWHIPKQJQAR-OWCLPIDISA-N 1 1 336.457 0.367 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001075780427 745321628 /nfs/dbraw/zinc/32/16/28/745321628.db2.gz MIZUWHIPKQJQAR-OWCLPIDISA-N 1 1 336.457 0.367 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001000198621 745335388 /nfs/dbraw/zinc/33/53/88/745335388.db2.gz POHRUWLTBFYZPZ-ZDUSSCGKSA-N 1 1 344.415 0.539 20 30 ECEDMO C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001000203579 745343480 /nfs/dbraw/zinc/34/34/80/745343480.db2.gz QZKXFVKBMAHOAJ-ZDUSSCGKSA-N 1 1 326.462 0.968 20 30 ECEDMO C#CCCCC(=O)NCC[NH2+]Cc1nnnn1Cc1ccccc1 ZINC001126343934 751994959 /nfs/dbraw/zinc/99/49/59/751994959.db2.gz LNKZMDUBNHGRLG-UHFFFAOYSA-N 1 1 326.404 0.731 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001000231487 745367444 /nfs/dbraw/zinc/36/74/44/745367444.db2.gz CLKHWFRYSPHZGZ-KFWWJZLASA-N 1 1 348.451 0.926 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CCc3c[nH]nn3)C2)C1=O ZINC001000232157 745368892 /nfs/dbraw/zinc/36/88/92/745368892.db2.gz NONGRQCKMNAHJR-GJZGRUSLSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CCc3cnn[nH]3)C2)C1=O ZINC001000232157 745368894 /nfs/dbraw/zinc/36/88/94/745368894.db2.gz NONGRQCKMNAHJR-GJZGRUSLSA-N 1 1 346.435 0.105 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001000242812 745379923 /nfs/dbraw/zinc/37/99/23/745379923.db2.gz UNFDTXFOFNLDQM-ZNMIVQPWSA-N 1 1 348.451 0.755 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)CSC)C1 ZINC000983849826 745387730 /nfs/dbraw/zinc/38/77/30/745387730.db2.gz DQZMNMCMFHLBGZ-CABCVRRESA-N 1 1 337.489 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)CSC)C1 ZINC000983849826 745387734 /nfs/dbraw/zinc/38/77/34/745387734.db2.gz DQZMNMCMFHLBGZ-CABCVRRESA-N 1 1 337.489 0.896 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3n[nH]nc3C)C2)nn1 ZINC001098698849 745398679 /nfs/dbraw/zinc/39/86/79/745398679.db2.gz ZHJRNZZNAQTEOX-ZDUSSCGKSA-N 1 1 330.396 0.458 20 30 ECEDMO C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC001000272164 745402132 /nfs/dbraw/zinc/40/21/32/745402132.db2.gz CIURGPNDRZOYQW-CQSZACIVSA-N 1 1 338.473 0.805 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977728296 745445819 /nfs/dbraw/zinc/44/58/19/745445819.db2.gz AONLJWVYWZECPM-KGLIPLIRSA-N 1 1 329.404 0.511 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977728202 745445995 /nfs/dbraw/zinc/44/59/95/745445995.db2.gz AFLSMDPKUJDGNS-SWLSCSKDSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001000403966 745478182 /nfs/dbraw/zinc/47/81/82/745478182.db2.gz LSPQFESRFNFAGN-YPMHNXCESA-N 1 1 344.423 0.846 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn([C@@H]4CCOC4)nc3C)[C@@H]2C1 ZINC001075791585 745489337 /nfs/dbraw/zinc/48/93/37/745489337.db2.gz VGZMOZHGFGYLQZ-ZMSDIMECSA-N 1 1 328.416 0.932 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001059265453 745508209 /nfs/dbraw/zinc/50/82/09/745508209.db2.gz WLROMCWEESXWIW-PMPSAXMXSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001059265453 745508211 /nfs/dbraw/zinc/50/82/11/745508211.db2.gz WLROMCWEESXWIW-PMPSAXMXSA-N 1 1 335.448 0.474 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000977799807 745520405 /nfs/dbraw/zinc/52/04/05/745520405.db2.gz DRURVKUNCPZILM-DAXOMENPSA-N 1 1 343.431 0.899 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccc(C#N)nn1 ZINC001126512957 745541347 /nfs/dbraw/zinc/54/13/47/745541347.db2.gz GHDYZEKQRUKTFX-AWEZNQCLSA-N 1 1 346.435 0.402 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@@H+](CCN3CCNC3=O)CC2)c[nH]1 ZINC001000599922 745626474 /nfs/dbraw/zinc/62/64/74/745626474.db2.gz ISLOWSDOGGBHAH-UHFFFAOYSA-N 1 1 342.403 0.273 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)nn1 ZINC001105360812 752017460 /nfs/dbraw/zinc/01/74/60/752017460.db2.gz JWOOMMHDSLRBGK-GFCCVEGCSA-N 1 1 341.419 0.465 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccon3)[C@H]2CC)C1=O ZINC001087525063 745659937 /nfs/dbraw/zinc/65/99/37/745659937.db2.gz CCKUBRUWGLFPDN-ARFHVFGLSA-N 1 1 346.431 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(C)on1 ZINC000977923707 745666098 /nfs/dbraw/zinc/66/60/98/745666098.db2.gz CLQNPYKYDWIHMX-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(C)on1 ZINC000977923707 745666102 /nfs/dbraw/zinc/66/61/02/745666102.db2.gz CLQNPYKYDWIHMX-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cnccn1 ZINC000977927122 745681205 /nfs/dbraw/zinc/68/12/05/745681205.db2.gz KUMCGXSCMJSWGY-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cnccn1 ZINC000977927122 745681209 /nfs/dbraw/zinc/68/12/09/745681209.db2.gz KUMCGXSCMJSWGY-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cn[nH]c1 ZINC000977930273 745686764 /nfs/dbraw/zinc/68/67/64/745686764.db2.gz RLUNOAWUMSBMTO-GJZGRUSLSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cn[nH]c1 ZINC000977930273 745686769 /nfs/dbraw/zinc/68/67/69/745686769.db2.gz RLUNOAWUMSBMTO-GJZGRUSLSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1[nH]cnc1C ZINC000977981811 745744376 /nfs/dbraw/zinc/74/43/76/745744376.db2.gz HKELGZIRSMQBDQ-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1[nH]cnc1C ZINC000977981811 745744381 /nfs/dbraw/zinc/74/43/81/745744381.db2.gz HKELGZIRSMQBDQ-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccn(C)n1 ZINC001029342603 745759603 /nfs/dbraw/zinc/75/96/03/745759603.db2.gz WRKSAMDNLMEVCG-KSZLIROESA-N 1 1 341.459 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccn(C)n1 ZINC001029342603 745759605 /nfs/dbraw/zinc/75/96/05/745759605.db2.gz WRKSAMDNLMEVCG-KSZLIROESA-N 1 1 341.459 0.693 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCN(C)C2=O)CC1 ZINC001000788749 745764932 /nfs/dbraw/zinc/76/49/32/745764932.db2.gz ZJNJXFFKBPYBGG-IRXDYDNUSA-N 1 1 344.459 0.063 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2cnns2)CC1 ZINC001000791535 745768593 /nfs/dbraw/zinc/76/85/93/745768593.db2.gz PBKMEOCJTXBPSQ-INIZCTEOSA-N 1 1 345.472 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2cnns2)CC1 ZINC001000791535 745768595 /nfs/dbraw/zinc/76/85/95/745768595.db2.gz PBKMEOCJTXBPSQ-INIZCTEOSA-N 1 1 345.472 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCN(CC)C2=O)nc1 ZINC001028271672 752037550 /nfs/dbraw/zinc/03/75/50/752037550.db2.gz LKHIYQYQIJRRLV-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCN(CC)C2=O)nc1 ZINC001028271672 752037555 /nfs/dbraw/zinc/03/75/55/752037555.db2.gz LKHIYQYQIJRRLV-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000984112033 745845044 /nfs/dbraw/zinc/84/50/44/745845044.db2.gz FKZRNKFRFUJTLU-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000984112027 745845160 /nfs/dbraw/zinc/84/51/60/745845160.db2.gz FKZRNKFRFUJTLU-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC001000927761 745906678 /nfs/dbraw/zinc/90/66/78/745906678.db2.gz QCEHHKLTDQHXLZ-UHFFFAOYSA-N 1 1 327.384 0.546 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4COC(=O)N4)[C@@H]3C2)cc1 ZINC000978113329 745922142 /nfs/dbraw/zinc/92/21/42/745922142.db2.gz QBZACGJSLGAZFE-LVQVYYBASA-N 1 1 340.383 0.461 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC001000987231 745953225 /nfs/dbraw/zinc/95/32/25/745953225.db2.gz ZZGRDCIXNPPYPC-MSOLQXFVSA-N 1 1 347.459 0.248 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cncnc3)[C@H]2CC)C1=O ZINC001087551523 745984752 /nfs/dbraw/zinc/98/47/52/745984752.db2.gz HDIVBMXXDJDZQU-XHSDSOJGSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cncnc3)[C@H]2CC)C1=O ZINC001087551523 745984758 /nfs/dbraw/zinc/98/47/58/745984758.db2.gz HDIVBMXXDJDZQU-XHSDSOJGSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncc[nH]4)[C@@H]3C2)C1=O ZINC000978159990 745991320 /nfs/dbraw/zinc/99/13/20/745991320.db2.gz QQUHMXDLKMQDAY-YIYPIFLZSA-N 1 1 329.404 0.104 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(C#N)cn1 ZINC001126538762 746009311 /nfs/dbraw/zinc/00/93/11/746009311.db2.gz UQBZXOVPAGHLJP-GDBMZVCRSA-N 1 1 345.447 0.862 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccn4nnnc34)[C@@H]2C1 ZINC000978206246 746039764 /nfs/dbraw/zinc/03/97/64/746039764.db2.gz QTRDAFXOOCFFJA-XYYAHUGASA-N 1 1 332.795 0.784 20 30 ECEDMO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978252300 746086096 /nfs/dbraw/zinc/08/60/96/746086096.db2.gz CRGDZQIDIWSNKZ-NXOAAHMSSA-N 1 1 332.448 0.447 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)[nH]c4ncn(C)c43)[C@@H]2C1 ZINC000978269733 746118826 /nfs/dbraw/zinc/11/88/26/746118826.db2.gz OAWYMYHQBBZWNB-XYYAHUGASA-N 1 1 325.372 0.215 20 30 ECEDMO Cn1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1=O ZINC001007053423 752062625 /nfs/dbraw/zinc/06/26/25/752062625.db2.gz AEZKWIBKUXMTEG-OAHLLOKOSA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1CC ZINC001087623233 746127420 /nfs/dbraw/zinc/12/74/20/746127420.db2.gz WBVPWNCDVAJLHS-UONOGXRCSA-N 1 1 326.462 0.966 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1CC ZINC001087623233 746127424 /nfs/dbraw/zinc/12/74/24/746127424.db2.gz WBVPWNCDVAJLHS-UONOGXRCSA-N 1 1 326.462 0.966 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CCn3cncn3)C2)nn1 ZINC001027606403 746130778 /nfs/dbraw/zinc/13/07/78/746130778.db2.gz FGKIIDXRBLIGMF-CQSZACIVSA-N 1 1 344.423 0.292 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCN(CC)C2=O)CC1 ZINC001001171571 746134368 /nfs/dbraw/zinc/13/43/68/746134368.db2.gz PNGJZZOLYVHROV-ZACQAIPSSA-N 1 1 347.459 0.947 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1CC ZINC001087645011 746143028 /nfs/dbraw/zinc/14/30/28/746143028.db2.gz BLBVDSLSINKCTE-UONOGXRCSA-N 1 1 334.420 0.884 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)[nH]c(C4CC4)n3)[C@@H]2C1 ZINC000978307577 746154409 /nfs/dbraw/zinc/15/44/09/746154409.db2.gz VBHRGIJPPWPYSH-ZSOGYDGISA-N 1 1 326.400 0.991 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@H]1CC ZINC001087674742 746174642 /nfs/dbraw/zinc/17/46/42/746174642.db2.gz AXMVLMDLWYCBAT-MWDXBVQZSA-N 1 1 335.448 0.615 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087708143 746214370 /nfs/dbraw/zinc/21/43/70/746214370.db2.gz RVKWLDKNAIAPMH-HRCADAONSA-N 1 1 341.415 0.709 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1ccccc1C#N ZINC001087708143 746214374 /nfs/dbraw/zinc/21/43/74/746214374.db2.gz RVKWLDKNAIAPMH-HRCADAONSA-N 1 1 341.415 0.709 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087707787 746218289 /nfs/dbraw/zinc/21/82/89/746218289.db2.gz HLAJSLUAUCOZKJ-BFHYXJOUSA-N 1 1 347.444 0.770 20 30 ECEDMO C=CCOc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)cc1 ZINC000978380974 746250531 /nfs/dbraw/zinc/25/05/31/746250531.db2.gz BSVNLCMXRSHWHL-OSYLJGHBSA-N 1 1 343.427 0.905 20 30 ECEDMO Cn1nncc1C[NH+]1CCC(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001001331447 746283893 /nfs/dbraw/zinc/28/38/93/746283893.db2.gz VDFJTDMLNQWSJL-UHFFFAOYSA-N 1 1 327.392 0.657 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1c[nH+]cc1C ZINC000978419450 746289036 /nfs/dbraw/zinc/28/90/36/746289036.db2.gz CELJSVJXQGAWIT-XHSDSOJGSA-N 1 1 346.431 0.842 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087757630 746291272 /nfs/dbraw/zinc/29/12/72/746291272.db2.gz CWHQRMGRAKBTHP-BFHYXJOUSA-N 1 1 327.450 0.013 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn(C)c(=O)cn3)C[C@@]2(C)C1 ZINC000982381786 752077062 /nfs/dbraw/zinc/07/70/62/752077062.db2.gz RIHPNKZKMBOGKJ-HDICACEKSA-N 1 1 328.416 0.588 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001001365986 746311669 /nfs/dbraw/zinc/31/16/69/746311669.db2.gz IATGURXENOJKRF-UHFFFAOYSA-N 1 1 334.376 0.834 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+](CC(=O)NC3CC3)CC2)cn1 ZINC001001383431 746329120 /nfs/dbraw/zinc/32/91/20/746329120.db2.gz KLOWNGFXYLUWDW-UHFFFAOYSA-N 1 1 338.411 0.703 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](CC(=O)NC3CC3)CC2)cn1 ZINC001001383431 746329125 /nfs/dbraw/zinc/32/91/25/746329125.db2.gz KLOWNGFXYLUWDW-UHFFFAOYSA-N 1 1 338.411 0.703 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2cccc(C(=O)NC)n2)CC1 ZINC001001417483 746356985 /nfs/dbraw/zinc/35/69/85/746356985.db2.gz YCLARUQDWNJWGL-UHFFFAOYSA-N 1 1 326.400 0.826 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)c1cncc(C#N)n1 ZINC001126549350 746359960 /nfs/dbraw/zinc/35/99/60/746359960.db2.gz MPUPFMAAJAFHPM-OAHLLOKOSA-N 1 1 346.435 0.402 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)[C@@H]2CC)nc1 ZINC001087800288 746361043 /nfs/dbraw/zinc/36/10/43/746361043.db2.gz LHKXVDBPRSQDRE-GOEBONIOSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H]2CC)nc1 ZINC001087800288 746361050 /nfs/dbraw/zinc/36/10/50/746361050.db2.gz LHKXVDBPRSQDRE-GOEBONIOSA-N 1 1 328.416 0.734 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001001459102 746399110 /nfs/dbraw/zinc/39/91/10/746399110.db2.gz RRASGDSQGNNLBZ-QGZVFWFLSA-N 1 1 335.448 0.948 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1 ZINC000978540500 746403426 /nfs/dbraw/zinc/40/34/26/746403426.db2.gz FWFLXTCOKDRSHL-ZSOGYDGISA-N 1 1 341.415 0.815 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3[nH]cnc3C)CC2)C1=O ZINC001001497545 746434457 /nfs/dbraw/zinc/43/44/57/746434457.db2.gz RMZDYUHSHJQVAK-HNNXBMFYSA-N 1 1 343.431 0.867 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001027641597 746470697 /nfs/dbraw/zinc/47/06/97/746470697.db2.gz MEFKVNTZUSBNBK-HNNXBMFYSA-N 1 1 331.420 0.799 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)C3CCC3)C2)C1=O ZINC001087853174 746505100 /nfs/dbraw/zinc/50/51/00/746505100.db2.gz BKYHERXEPOUEQT-IAGOWNOFSA-N 1 1 349.475 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1ncc(F)cn1 ZINC001126555151 746506018 /nfs/dbraw/zinc/50/60/18/746506018.db2.gz CCFGYBMXRDGNJX-HNNXBMFYSA-N 1 1 349.410 0.282 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1ncc(F)cn1 ZINC001126555151 746506023 /nfs/dbraw/zinc/50/60/23/746506023.db2.gz CCFGYBMXRDGNJX-HNNXBMFYSA-N 1 1 349.410 0.282 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@H]2CCCN(C(=O)C(C)C)C2)C1=O ZINC001087854411 746507000 /nfs/dbraw/zinc/50/70/00/746507000.db2.gz GNACIHQZBFJMFV-JKSUJKDBSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccnn2CC)C1 ZINC001001577031 746508949 /nfs/dbraw/zinc/50/89/49/746508949.db2.gz OSTSDPZDDXLQBV-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccnn2CC)C1 ZINC001001577031 746508952 /nfs/dbraw/zinc/50/89/52/746508952.db2.gz OSTSDPZDDXLQBV-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1cc(C)ncn1 ZINC001126555384 746509045 /nfs/dbraw/zinc/50/90/45/746509045.db2.gz INRSZWUOANGMLO-INIZCTEOSA-N 1 1 345.447 0.452 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1cc(C)ncn1 ZINC001126555384 746509050 /nfs/dbraw/zinc/50/90/50/746509050.db2.gz INRSZWUOANGMLO-INIZCTEOSA-N 1 1 345.447 0.452 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001059382089 746510258 /nfs/dbraw/zinc/51/02/58/746510258.db2.gz ITQZQJYKGILIJK-RBSFLKMASA-N 1 1 342.447 0.951 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001059384133 746519559 /nfs/dbraw/zinc/51/95/59/746519559.db2.gz YJRKYQKTFMFJRN-XUXIUFHCSA-N 1 1 328.420 0.560 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)c[nH]1 ZINC001083418575 746522637 /nfs/dbraw/zinc/52/26/37/746522637.db2.gz PIUJRZRLPZMZIU-AGIUHOORSA-N 1 1 340.330 0.085 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)c[nH]1 ZINC001083418575 746522641 /nfs/dbraw/zinc/52/26/41/746522641.db2.gz PIUJRZRLPZMZIU-AGIUHOORSA-N 1 1 340.330 0.085 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)nc1 ZINC001027656386 746597138 /nfs/dbraw/zinc/59/71/38/746597138.db2.gz OOXRGTIYRZKIDD-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)c1 ZINC000978737308 746632556 /nfs/dbraw/zinc/63/25/56/746632556.db2.gz BGQSDUIICFGTAP-JJTUDDRGSA-N 1 1 338.411 0.474 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001027663544 746646044 /nfs/dbraw/zinc/64/60/44/746646044.db2.gz DAHRNTQQXHYLKF-HIFRSBDPSA-N 1 1 327.450 0.014 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978733285 746646454 /nfs/dbraw/zinc/64/64/54/746646454.db2.gz AZARHVODCIEUEZ-XBXGTLAGSA-N 1 1 340.387 0.716 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978734711 746648823 /nfs/dbraw/zinc/64/88/23/746648823.db2.gz XSSRGFLJLDMMFU-UXOAXIEHSA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978736261 746651258 /nfs/dbraw/zinc/65/12/58/746651258.db2.gz UUEZWWRYXUOODH-HLSYRSCKSA-N 1 1 343.431 0.709 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]2C1 ZINC001087920399 746662247 /nfs/dbraw/zinc/66/22/47/746662247.db2.gz NLOSFPLROUXCBI-QLFBSQMISA-N 1 1 327.856 0.850 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]2C1 ZINC001087920399 746662248 /nfs/dbraw/zinc/66/22/48/746662248.db2.gz NLOSFPLROUXCBI-QLFBSQMISA-N 1 1 327.856 0.850 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC000978743006 746669545 /nfs/dbraw/zinc/66/95/45/746669545.db2.gz LIGKBYHWAGLENB-JJTUDDRGSA-N 1 1 338.411 0.474 20 30 ECEDMO CO[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)CSCC#N ZINC001211886267 746702652 /nfs/dbraw/zinc/70/26/52/746702652.db2.gz HONDFTBCMCLVSS-BFHYXJOUSA-N 1 1 327.450 0.628 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](OC)c3cnn(C)c3)C[C@@]2(C)C1 ZINC000982403814 752118341 /nfs/dbraw/zinc/11/83/41/752118341.db2.gz YCYBMVUXQZBSTM-NXHRZFHOSA-N 1 1 330.432 0.911 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CC[NH+](Cc3cn(C)nn3)CC2)c1 ZINC001001812355 746740897 /nfs/dbraw/zinc/74/08/97/746740897.db2.gz LAMAZXFAKQACJT-UHFFFAOYSA-N 1 1 338.415 0.833 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@H]32)nn1 ZINC000978819055 746745735 /nfs/dbraw/zinc/74/57/35/746745735.db2.gz QOKHNGQBPOLWNT-FPCVCCKLSA-N 1 1 345.447 0.798 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1=O ZINC001087961784 746746334 /nfs/dbraw/zinc/74/63/34/746746334.db2.gz JTMFXKPNEULRPP-IXDOHACOSA-N 1 1 329.444 0.801 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)n1 ZINC001059413929 746763203 /nfs/dbraw/zinc/76/32/03/746763203.db2.gz AFAOHWHQKSGQDK-GZCFXPHUSA-N 1 1 328.420 0.914 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000978843395 746770830 /nfs/dbraw/zinc/77/08/30/746770830.db2.gz RZXGVXKVTTTWDI-OAGGEKHMSA-N 1 1 340.427 0.639 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027683837 746793375 /nfs/dbraw/zinc/79/33/75/746793375.db2.gz QOSMPBMXXLPSPF-VXGBXAGGSA-N 1 1 335.857 0.353 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027683837 746793380 /nfs/dbraw/zinc/79/33/80/746793380.db2.gz QOSMPBMXXLPSPF-VXGBXAGGSA-N 1 1 335.857 0.353 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(OCC(N)=O)c3)C[C@@H]2C1 ZINC001087984939 746832361 /nfs/dbraw/zinc/83/23/61/746832361.db2.gz XUKJSDUJHRDTLJ-CVEARBPZSA-N 1 1 341.411 0.578 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001001979060 746858480 /nfs/dbraw/zinc/85/84/80/746858480.db2.gz RXLAKDRWMLKAQW-SFHVURJKSA-N 1 1 339.439 0.737 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001002003091 746882868 /nfs/dbraw/zinc/88/28/68/746882868.db2.gz WKESHTCVDAZCNE-OAHLLOKOSA-N 1 1 330.432 0.814 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007154713 752135050 /nfs/dbraw/zinc/13/50/50/752135050.db2.gz HAZRCIVRHQFABY-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007154713 752135056 /nfs/dbraw/zinc/13/50/56/752135056.db2.gz HAZRCIVRHQFABY-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000978952030 746944675 /nfs/dbraw/zinc/94/46/75/746944675.db2.gz FSGJXBCHKFGLJX-NCOADZHNSA-N 1 1 346.475 0.047 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000978953081 746946699 /nfs/dbraw/zinc/94/66/99/746946699.db2.gz KSCDIIJWSCASCB-TWMKSMIVSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000978953081 746946703 /nfs/dbraw/zinc/94/67/03/746946703.db2.gz KSCDIIJWSCASCB-TWMKSMIVSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000978953343 746947277 /nfs/dbraw/zinc/94/72/77/746947277.db2.gz NHAZPBPWSIUJEI-NCOADZHNSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000978953343 746947281 /nfs/dbraw/zinc/94/72/81/746947281.db2.gz NHAZPBPWSIUJEI-NCOADZHNSA-N 1 1 347.459 0.522 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978961021 746958936 /nfs/dbraw/zinc/95/89/36/746958936.db2.gz BQUCDWBQUAWRAV-TUVASFSCSA-N 1 1 331.420 0.723 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027704172 746963584 /nfs/dbraw/zinc/96/35/84/746963584.db2.gz KGAZZGVTVGJTPR-RYUDHWBXSA-N 1 1 327.812 0.715 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027704172 746963588 /nfs/dbraw/zinc/96/35/88/746963588.db2.gz KGAZZGVTVGJTPR-RYUDHWBXSA-N 1 1 327.812 0.715 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)cn1 ZINC000978985834 747021872 /nfs/dbraw/zinc/02/18/72/747021872.db2.gz DZTBNBWGWOFWNM-OSMBCOQSSA-N 1 1 340.427 0.447 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)cn1 ZINC000979011931 747045502 /nfs/dbraw/zinc/04/55/02/747045502.db2.gz CDYUZFJEGGVSJK-OSYLJGHBSA-N 1 1 338.411 0.203 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)s1 ZINC000979020458 747049011 /nfs/dbraw/zinc/04/90/11/747049011.db2.gz RQJFLIXXUFAXRG-XQLPTFJDSA-N 1 1 344.440 0.692 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cncn4C)C[C@H]32)cn1 ZINC000979015124 747060923 /nfs/dbraw/zinc/06/09/23/747060923.db2.gz IKXXIMSYZKQZIL-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC000979018238 747066000 /nfs/dbraw/zinc/06/60/00/747066000.db2.gz WNRBWPQNSWQIFK-WCXIOVBPSA-N 1 1 335.448 0.494 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001002194964 747070208 /nfs/dbraw/zinc/07/02/08/747070208.db2.gz JOYUKRPSMSTHRX-ZVZYQTTQSA-N 1 1 349.475 0.884 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCN(C(C)=O)C3)[C@@H]2C1 ZINC000979042847 747072990 /nfs/dbraw/zinc/07/29/90/747072990.db2.gz HJFQOBFDDYGKQY-TUVASFSCSA-N 1 1 325.840 0.901 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C(=O)NC)n3)[C@@H]2C1 ZINC000979032996 747081761 /nfs/dbraw/zinc/08/17/61/747081761.db2.gz OGOWDKPDPQAIQK-ZSOGYDGISA-N 1 1 328.416 0.925 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3-n3cnnn3)C[C@@H]2C1 ZINC001088025902 747099508 /nfs/dbraw/zinc/09/95/08/747099508.db2.gz HSXLESMMYGZUMG-OLZOCXBDSA-N 1 1 342.428 0.751 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC001002235205 747110694 /nfs/dbraw/zinc/11/06/94/747110694.db2.gz OAOUKAGAISUZMA-IAQYHMDHSA-N 1 1 329.404 0.415 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)O1 ZINC001059461565 747128265 /nfs/dbraw/zinc/12/82/65/747128265.db2.gz OQJBUJCWHWMERA-NMFUWQPSSA-N 1 1 329.404 0.731 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)O1 ZINC001059461565 747128270 /nfs/dbraw/zinc/12/82/70/747128270.db2.gz OQJBUJCWHWMERA-NMFUWQPSSA-N 1 1 329.404 0.731 20 30 ECEDMO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ncn[nH]3)C2)cc1C#N ZINC000984936645 747140328 /nfs/dbraw/zinc/14/03/28/747140328.db2.gz QCUKCYUHZGNOLB-MQMHXKEQSA-N 1 1 340.387 0.983 20 30 ECEDMO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)cc1C#N ZINC000984936645 747140333 /nfs/dbraw/zinc/14/03/33/747140333.db2.gz QCUKCYUHZGNOLB-MQMHXKEQSA-N 1 1 340.387 0.983 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(=O)C(C)C)[C@@H]2C1 ZINC000979107677 747189987 /nfs/dbraw/zinc/18/99/87/747189987.db2.gz WQXHPDTUZLUCMQ-NXOAAHMSSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccncn2)C1 ZINC000979168629 747262954 /nfs/dbraw/zinc/26/29/54/747262954.db2.gz IFEDOAJUAAYKDZ-LZWOXQAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccncn2)C1 ZINC000979168629 747262958 /nfs/dbraw/zinc/26/29/58/747262958.db2.gz IFEDOAJUAAYKDZ-LZWOXQAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001059488915 747383936 /nfs/dbraw/zinc/38/39/36/747383936.db2.gz FFCJCXHEFRWVPZ-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@H]2C1 ZINC001088104984 747393615 /nfs/dbraw/zinc/39/36/15/747393615.db2.gz MGCRSWRDSHMLPI-FXUDXRNXSA-N 1 1 333.432 0.036 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@@H]2C1 ZINC001088114379 747419141 /nfs/dbraw/zinc/41/91/41/747419141.db2.gz KVMGPJZBJMITOG-OAGGEKHMSA-N 1 1 342.447 0.429 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N(CCO)CCNc1ccncc1C#N ZINC001111582749 752184017 /nfs/dbraw/zinc/18/40/17/752184017.db2.gz LORRNARSQYUHKY-INIZCTEOSA-N 1 1 345.447 0.482 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNCc3ncnn3C)C2)CC1 ZINC000985155227 747479980 /nfs/dbraw/zinc/47/99/80/747479980.db2.gz SDZWABCGVPFDIV-KOMQPUFPSA-N 1 1 344.463 0.145 20 30 ECEDMO Cc1nonc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979262412 747486979 /nfs/dbraw/zinc/48/69/79/747486979.db2.gz CSCXKXPBAUPBAH-XHDPSFHLSA-N 1 1 344.375 0.597 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]2C1 ZINC001088160167 747553669 /nfs/dbraw/zinc/55/36/69/747553669.db2.gz FNKBRHBVPDVLFI-OLZOCXBDSA-N 1 1 334.420 0.283 20 30 ECEDMO C[C@H]([NH2+]Cc1cnon1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979295840 747559817 /nfs/dbraw/zinc/55/98/17/747559817.db2.gz SIEBBZHFVFYUBZ-HZMBPMFUSA-N 1 1 330.348 0.289 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnnn1C1CC1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979339698 747641311 /nfs/dbraw/zinc/64/13/11/747641311.db2.gz VMMNJESNUKQSCD-IUODEOHRSA-N 1 1 344.419 0.127 20 30 ECEDMO CC(C)n1ncnc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979332920 747657697 /nfs/dbraw/zinc/65/76/97/747657697.db2.gz MJDFKBCVNDUTKN-ZBFHGGJFSA-N 1 1 345.447 0.978 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cnns3)CC2)C1=O ZINC000985299548 747657770 /nfs/dbraw/zinc/65/77/70/747657770.db2.gz NBMHLYJYTINBPF-CYBMUJFWSA-N 1 1 349.460 0.861 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3nc4nccc(C)n4n3)C[C@@H]2C1 ZINC001088190025 747702077 /nfs/dbraw/zinc/70/20/77/747702077.db2.gz FIAHHBADESAMEP-CABCVRRESA-N 1 1 338.415 0.850 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC001088194818 747709389 /nfs/dbraw/zinc/70/93/89/747709389.db2.gz XXSOEIXWMANNFZ-NEPJUHHUSA-N 1 1 349.822 0.722 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC001088194818 747709393 /nfs/dbraw/zinc/70/93/93/747709393.db2.gz XXSOEIXWMANNFZ-NEPJUHHUSA-N 1 1 349.822 0.722 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000985339009 747739670 /nfs/dbraw/zinc/73/96/70/747739670.db2.gz OXYNESNBHNBQAK-KGLIPLIRSA-N 1 1 341.477 0.894 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204906 747741563 /nfs/dbraw/zinc/74/15/63/747741563.db2.gz SLGHYEMHXYRCLU-HZSPNIEDSA-N 1 1 327.450 0.035 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCOCC3)C[C@@H]2C1 ZINC001088208810 747750394 /nfs/dbraw/zinc/75/03/94/747750394.db2.gz SGFSLQAKEXUEPU-SQNIBIBYSA-N 1 1 331.460 0.511 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]2C1 ZINC001088215164 747754438 /nfs/dbraw/zinc/75/44/38/747754438.db2.gz VIVPJLNPDSIGPK-OLZOCXBDSA-N 1 1 338.839 0.870 20 30 ECEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985342373 747756430 /nfs/dbraw/zinc/75/64/30/747756430.db2.gz OAUKJZWZYDLJMM-UHFFFAOYSA-N 1 1 332.379 0.996 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)c1cnc(C#N)cn1 ZINC001112181185 747768488 /nfs/dbraw/zinc/76/84/88/747768488.db2.gz GJQJXRPZTQYVOF-HIFRSBDPSA-N 1 1 330.436 0.831 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)s1 ZINC001027793154 747781107 /nfs/dbraw/zinc/78/11/07/747781107.db2.gz ZBUPABJJZQKXTD-BXUZGUMPSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)s1 ZINC001027793154 747781110 /nfs/dbraw/zinc/78/11/10/747781110.db2.gz ZBUPABJJZQKXTD-BXUZGUMPSA-N 1 1 332.429 0.979 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001088233150 747790241 /nfs/dbraw/zinc/79/02/41/747790241.db2.gz JFOUCAZEEYBTBX-HOTGVXAUSA-N 1 1 349.431 0.448 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001088233088 747790343 /nfs/dbraw/zinc/79/03/43/747790343.db2.gz HMYWGBFLWIMHNP-OAHLLOKOSA-N 1 1 331.420 0.391 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985379428 747837410 /nfs/dbraw/zinc/83/74/10/747837410.db2.gz GNWOUUAIGSNJOA-UHFFFAOYSA-N 1 1 344.419 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2occc2C)C1 ZINC001002828905 747843332 /nfs/dbraw/zinc/84/33/32/747843332.db2.gz IMMCVSJJFGGZRP-HNNXBMFYSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2occc2C)C1 ZINC001002828905 747843339 /nfs/dbraw/zinc/84/33/39/747843339.db2.gz IMMCVSJJFGGZRP-HNNXBMFYSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2cccs2)C1 ZINC001002828396 747843784 /nfs/dbraw/zinc/84/37/84/747843784.db2.gz DNXHHJWCOQTCSQ-INIZCTEOSA-N 1 1 345.468 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2cccs2)C1 ZINC001002828396 747843791 /nfs/dbraw/zinc/84/37/91/747843791.db2.gz DNXHHJWCOQTCSQ-INIZCTEOSA-N 1 1 345.468 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnc(C)cn2)C1 ZINC001002829681 747845324 /nfs/dbraw/zinc/84/53/24/747845324.db2.gz NOKMPFIMHFVUGB-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnc(C)cn2)C1 ZINC001002829681 747845333 /nfs/dbraw/zinc/84/53/33/747845333.db2.gz NOKMPFIMHFVUGB-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO Cn1[nH]c(C[N@@H+](C)C2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)nc1=O ZINC000985388913 747872189 /nfs/dbraw/zinc/87/21/89/747872189.db2.gz NVJPKPMVUBCUED-UHFFFAOYSA-N 1 1 343.391 0.045 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC1)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985387888 747875637 /nfs/dbraw/zinc/87/56/37/747875637.db2.gz YHGOMVTWIQQRJA-UHFFFAOYSA-N 1 1 329.404 0.655 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000988501963 752220100 /nfs/dbraw/zinc/22/01/00/752220100.db2.gz OLZBDRIOSVLSAL-DGCLKSJQSA-N 1 1 345.382 0.840 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001002881028 747914870 /nfs/dbraw/zinc/91/48/70/747914870.db2.gz SEKDTFRIPPGKLN-UKRRQHHQSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001002881028 747914878 /nfs/dbraw/zinc/91/48/78/747914878.db2.gz SEKDTFRIPPGKLN-UKRRQHHQSA-N 1 1 335.448 0.636 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001027805201 747920434 /nfs/dbraw/zinc/92/04/34/747920434.db2.gz PCVBHISHWWKYDO-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001088240085 747942814 /nfs/dbraw/zinc/94/28/14/747942814.db2.gz OTIWURYUCQUYBN-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059547568 747967652 /nfs/dbraw/zinc/96/76/52/747967652.db2.gz OUEMVCKNIJRJKT-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059547568 747967654 /nfs/dbraw/zinc/96/76/54/747967654.db2.gz OUEMVCKNIJRJKT-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001002950637 747998816 /nfs/dbraw/zinc/99/88/16/747998816.db2.gz RMGGNEAJEUHZFV-CYBMUJFWSA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Br)C[N@@H+](C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985436923 748018124 /nfs/dbraw/zinc/01/81/24/748018124.db2.gz VPHGRYQIKUSLBG-UHFFFAOYSA-N 1 1 343.229 0.505 20 30 ECEDMO C=C(Br)C[N@H+](C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985436923 748018133 /nfs/dbraw/zinc/01/81/33/748018133.db2.gz VPHGRYQIKUSLBG-UHFFFAOYSA-N 1 1 343.229 0.505 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001029708415 748108757 /nfs/dbraw/zinc/10/87/57/748108757.db2.gz QISPUGLOQGMXCF-WFASDCNBSA-N 1 1 329.404 0.511 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC000979611933 748120380 /nfs/dbraw/zinc/12/03/80/748120380.db2.gz FESJZHKSAKGQOZ-NWANDNLSSA-N 1 1 343.431 0.805 20 30 ECEDMO Cn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001029712573 748125022 /nfs/dbraw/zinc/12/50/22/748125022.db2.gz VTIKJHZAIIVHTK-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001029712573 748125024 /nfs/dbraw/zinc/12/50/24/748125024.db2.gz VTIKJHZAIIVHTK-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nonc2C)CC1 ZINC001003056287 748125697 /nfs/dbraw/zinc/12/56/97/748125697.db2.gz OJOKEMRWEPOXRZ-INIZCTEOSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nonc2C)CC1 ZINC001003056287 748125703 /nfs/dbraw/zinc/12/57/03/748125703.db2.gz OJOKEMRWEPOXRZ-INIZCTEOSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC000979723971 748290332 /nfs/dbraw/zinc/29/03/32/748290332.db2.gz FRCWXZNHZKZVEW-SYQHCUMBSA-N 1 1 339.386 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC000979723971 748290338 /nfs/dbraw/zinc/29/03/38/748290338.db2.gz FRCWXZNHZKZVEW-SYQHCUMBSA-N 1 1 339.386 0.750 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105344269 748300410 /nfs/dbraw/zinc/30/04/10/748300410.db2.gz WFUKXNIXZNUJJH-UHFFFAOYSA-N 1 1 347.467 0.787 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001059555173 748317882 /nfs/dbraw/zinc/31/78/82/748317882.db2.gz OAFHURIEUXJUGV-MAUKXSAKSA-N 1 1 348.447 0.873 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C[C@H]2C1 ZINC000979741484 748324880 /nfs/dbraw/zinc/32/48/80/748324880.db2.gz GJDVUHCAGVKUCF-KCQAQPDRSA-N 1 1 326.462 0.824 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001003257431 748353624 /nfs/dbraw/zinc/35/36/24/748353624.db2.gz UUIQCHWFRAOMGS-UHFFFAOYSA-N 1 1 326.784 0.282 20 30 ECEDMO Cc1cccc2nc(CNC(=[NH2+])NCCCN3CCOCC3)[nH]c21 ZINC000305709173 748388972 /nfs/dbraw/zinc/38/89/72/748388972.db2.gz JCTSVZWXLHYMSP-UHFFFAOYSA-N 1 1 330.436 0.998 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCOCC3=O)C[C@@H]2C1 ZINC000979795625 748411352 /nfs/dbraw/zinc/41/13/52/748411352.db2.gz KECNHNSGPIKEKO-XHSDSOJGSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1)C2 ZINC001003330119 748432487 /nfs/dbraw/zinc/43/24/87/748432487.db2.gz HDEWHRJIWMULLE-NCOADZHNSA-N 1 1 340.427 0.974 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1)C2 ZINC001003330119 748432492 /nfs/dbraw/zinc/43/24/92/748432492.db2.gz HDEWHRJIWMULLE-NCOADZHNSA-N 1 1 340.427 0.974 20 30 ECEDMO C=C(Br)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000985575932 748584522 /nfs/dbraw/zinc/58/45/22/748584522.db2.gz HTNQBKIMKMMPRN-GFCCVEGCSA-N 1 1 344.253 0.954 20 30 ECEDMO C=C(Br)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000985575932 748584528 /nfs/dbraw/zinc/58/45/28/748584528.db2.gz HTNQBKIMKMMPRN-GFCCVEGCSA-N 1 1 344.253 0.954 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)OC)C2)nn1 ZINC001098630638 748586408 /nfs/dbraw/zinc/58/64/08/748586408.db2.gz VBYSLQUMSDZMGV-DZGCQCFKSA-N 1 1 337.424 0.379 20 30 ECEDMO Cn1nnc(C(=O)N2CCC([N@@H+](C)Cc3cccc(C#N)c3)CC2)n1 ZINC000985585752 748648724 /nfs/dbraw/zinc/64/87/24/748648724.db2.gz TYGNOXJLGHLHPI-UHFFFAOYSA-N 1 1 339.403 0.818 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001003532563 748652003 /nfs/dbraw/zinc/65/20/03/748652003.db2.gz BWYYZCSFRDXDCX-OAHLLOKOSA-N 1 1 327.388 0.320 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cc(C)cn3)C2)nn1 ZINC001098630831 748682223 /nfs/dbraw/zinc/68/22/23/748682223.db2.gz XGEZLSRYSOJQJB-OAHLLOKOSA-N 1 1 329.408 0.532 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 ZINC000979975721 748751959 /nfs/dbraw/zinc/75/19/59/748751959.db2.gz BLYUWMHEDPELJR-BBWFWOEESA-N 1 1 348.491 0.553 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 ZINC000979980309 748757852 /nfs/dbraw/zinc/75/78/52/748757852.db2.gz MHJHCKQQFDYTRC-XHSDSOJGSA-N 1 1 334.464 0.163 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000979967624 748760054 /nfs/dbraw/zinc/76/00/54/748760054.db2.gz NHAZPBPWSIUJEI-QAETUUGQSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000979967624 748760060 /nfs/dbraw/zinc/76/00/60/748760060.db2.gz NHAZPBPWSIUJEI-QAETUUGQSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000979969177 748762878 /nfs/dbraw/zinc/76/28/78/748762878.db2.gz XYOBQWIVLUILDV-KKUMJFAQSA-N 1 1 343.431 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000979969177 748762880 /nfs/dbraw/zinc/76/28/80/748762880.db2.gz XYOBQWIVLUILDV-KKUMJFAQSA-N 1 1 343.431 0.061 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 ZINC000985687579 748865703 /nfs/dbraw/zinc/86/57/03/748865703.db2.gz KOBFCGFFPQBTBE-UHFFFAOYSA-N 1 1 344.419 0.390 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CC[NH+](CC(=O)N3CCC3)CC2)nn1 ZINC001003767237 748875056 /nfs/dbraw/zinc/87/50/56/748875056.db2.gz ZLQQNPVXBQOVAF-UHFFFAOYSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)[C@H](CC)C(N)=O)CC2)nn1 ZINC000985696098 748883413 /nfs/dbraw/zinc/88/34/13/748883413.db2.gz RLRVATHAWCMWQX-CQSZACIVSA-N 1 1 334.424 0.264 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985698212 748884919 /nfs/dbraw/zinc/88/49/19/748884919.db2.gz ZWJNQJFTXZDKOW-JYJNAYRXSA-N 1 1 335.448 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3cn(C)nn3)CC2)nc1 ZINC000985760566 749031379 /nfs/dbraw/zinc/03/13/79/749031379.db2.gz VQNHWLOOFFSPQA-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3cn(C)nn3)CC2)nc1 ZINC000985760566 749031384 /nfs/dbraw/zinc/03/13/84/749031384.db2.gz VQNHWLOOFFSPQA-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001003936311 749062011 /nfs/dbraw/zinc/06/20/11/749062011.db2.gz IQVRJTCMXOQYAW-GFCCVEGCSA-N 1 1 332.404 0.714 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001059645523 749085923 /nfs/dbraw/zinc/08/59/23/749085923.db2.gz DSTIRLYOORBBSD-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000985786052 749095889 /nfs/dbraw/zinc/09/58/89/749095889.db2.gz DWNVIXZCQDWOLI-UHFFFAOYSA-N 1 1 340.811 0.775 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)cn3)C[C@H]2C1 ZINC000980168834 749104700 /nfs/dbraw/zinc/10/47/00/749104700.db2.gz SRMTXDSPSVGSBQ-SOUVJXGZSA-N 1 1 328.416 0.634 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001059648734 749111044 /nfs/dbraw/zinc/11/10/44/749111044.db2.gz YNIABKKLCDGNNN-CVEARBPZSA-N 1 1 337.464 0.720 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 ZINC000980192949 749127115 /nfs/dbraw/zinc/12/71/15/749127115.db2.gz KFFOYIZTZMVCBQ-BFHYXJOUSA-N 1 1 334.420 0.331 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@H]3C2)cc1F ZINC000980186570 749138811 /nfs/dbraw/zinc/13/88/11/749138811.db2.gz OARUEVBCCAHYSZ-KKUMJFAQSA-N 1 1 344.390 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC000980200927 749178429 /nfs/dbraw/zinc/17/84/29/749178429.db2.gz UKBWCCBNFUEFEM-NRXISQOPSA-N 1 1 343.431 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC000980200927 749178433 /nfs/dbraw/zinc/17/84/33/749178433.db2.gz UKBWCCBNFUEFEM-NRXISQOPSA-N 1 1 343.431 0.665 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC000980207385 749185475 /nfs/dbraw/zinc/18/54/75/749185475.db2.gz JHLGYQWVNAJTHH-KKUMJFAQSA-N 1 1 348.447 0.673 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)ccc3=O)C[C@@H]2C1 ZINC000980214836 749208799 /nfs/dbraw/zinc/20/87/99/749208799.db2.gz NQVDJYIUNBHQCV-BBWFWOEESA-N 1 1 342.443 0.792 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001078251572 782558666 /nfs/dbraw/zinc/55/86/66/782558666.db2.gz SMVYGNPHZZPDRW-SJLPKXTDSA-N 1 1 325.412 0.905 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)Cc2nc3ncccn3n2)CC1 ZINC001004137450 749245796 /nfs/dbraw/zinc/24/57/96/749245796.db2.gz DAUXHYJQESJCCX-UHFFFAOYSA-N 1 1 334.811 1.000 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]2C1 ZINC000980240877 749246114 /nfs/dbraw/zinc/24/61/14/749246114.db2.gz HBDBSALZNYEBFE-NWANDNLSSA-N 1 1 328.416 0.967 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC000980251458 749256521 /nfs/dbraw/zinc/25/65/21/749256521.db2.gz IVBPWCZXYXWTIG-MELADBBJSA-N 1 1 346.431 0.892 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001078251572 782558672 /nfs/dbraw/zinc/55/86/72/782558672.db2.gz SMVYGNPHZZPDRW-SJLPKXTDSA-N 1 1 325.412 0.905 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001004198817 749305461 /nfs/dbraw/zinc/30/54/61/749305461.db2.gz ITSQQKLNTUESEU-OAHLLOKOSA-N 1 1 326.400 0.203 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3cccn3)[C@H]2C)C1=O ZINC001088470699 749546393 /nfs/dbraw/zinc/54/63/93/749546393.db2.gz XQZXSHOIARXEJH-ILXRZTDVSA-N 1 1 331.420 0.249 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cccn3)[C@H]2C)C1=O ZINC001088470699 749546398 /nfs/dbraw/zinc/54/63/98/749546398.db2.gz XQZXSHOIARXEJH-ILXRZTDVSA-N 1 1 331.420 0.249 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC001004476680 749546655 /nfs/dbraw/zinc/54/66/55/749546655.db2.gz NAGDXMMLOYJNTF-MRXNPFEDSA-N 1 1 345.443 0.862 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC001027937666 749617294 /nfs/dbraw/zinc/61/72/94/749617294.db2.gz WQZGCZBJGCKNFI-HIFRSBDPSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001027937666 749617296 /nfs/dbraw/zinc/61/72/96/749617296.db2.gz WQZGCZBJGCKNFI-HIFRSBDPSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nc(CC)no1 ZINC001027939919 749636619 /nfs/dbraw/zinc/63/66/19/749636619.db2.gz AXWWAKRLOUQSBY-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nc(CC)no1 ZINC001027939919 749636624 /nfs/dbraw/zinc/63/66/24/749636624.db2.gz AXWWAKRLOUQSBY-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CCO)CC2)nn1 ZINC001004577483 749651206 /nfs/dbraw/zinc/65/12/06/749651206.db2.gz GMICPQHAAAOMQY-MRXNPFEDSA-N 1 1 333.436 0.773 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001004580477 749653526 /nfs/dbraw/zinc/65/35/26/749653526.db2.gz DXVWAZKAGKWWMD-AWEZNQCLSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cncn1C ZINC001027942777 749666812 /nfs/dbraw/zinc/66/68/12/749666812.db2.gz GYDZRAPVNDQYTQ-WBVHZDCISA-N 1 1 329.448 0.598 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cncn1C ZINC001027942777 749666817 /nfs/dbraw/zinc/66/68/17/749666817.db2.gz GYDZRAPVNDQYTQ-WBVHZDCISA-N 1 1 329.448 0.598 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1nccnc1C ZINC001027944352 749678739 /nfs/dbraw/zinc/67/87/39/749678739.db2.gz VUKCNGDWCXWRQW-WMZOPIPTSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nccnc1C ZINC001027944352 749678744 /nfs/dbraw/zinc/67/87/44/749678744.db2.gz VUKCNGDWCXWRQW-WMZOPIPTSA-N 1 1 341.459 0.963 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNc2ccncc2C#N)C1 ZINC001114946525 749680905 /nfs/dbraw/zinc/68/09/05/749680905.db2.gz ODWZYQIKHDITHP-WMLDXEAASA-N 1 1 345.447 0.793 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNc2ccncc2C#N)C1 ZINC001114946525 749680910 /nfs/dbraw/zinc/68/09/10/749680910.db2.gz ODWZYQIKHDITHP-WMLDXEAASA-N 1 1 345.447 0.793 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001004610428 749683022 /nfs/dbraw/zinc/68/30/22/749683022.db2.gz PPQSOXCAMOMFMS-MRXNPFEDSA-N 1 1 345.447 0.226 20 30 ECEDMO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000262793928 749777161 /nfs/dbraw/zinc/77/71/61/749777161.db2.gz OUGPKZPAYQNYRM-QWHCGFSZSA-N 1 1 333.484 0.776 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000980579092 749807402 /nfs/dbraw/zinc/80/74/02/749807402.db2.gz JSJQHFSBWQIWNI-VIQHNZTISA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C3CCOCC3)CC2)C1=O ZINC000980613322 749862879 /nfs/dbraw/zinc/86/28/79/749862879.db2.gz UIGKIRPWRVNKTC-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C3CCOCC3)CC2)C1=O ZINC000980613322 749862885 /nfs/dbraw/zinc/86/28/85/749862885.db2.gz UIGKIRPWRVNKTC-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027974312 750110009 /nfs/dbraw/zinc/11/00/09/750110009.db2.gz GLAHDLZPLYDNDX-GFCCVEGCSA-N 1 1 325.390 0.145 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027974312 750110011 /nfs/dbraw/zinc/11/00/11/750110011.db2.gz GLAHDLZPLYDNDX-GFCCVEGCSA-N 1 1 325.390 0.145 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058846582 750114642 /nfs/dbraw/zinc/11/46/42/750114642.db2.gz AEMAFZHUARVBIS-CRAIPNDOSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058848444 750158155 /nfs/dbraw/zinc/15/81/55/750158155.db2.gz FVMMLEPKZIMTSY-CABCVRRESA-N 1 1 339.480 0.724 20 30 ECEDMO C[N@@H+](CC(=O)N(CCO)CCNC(=O)C#CC1CC1)CC(C)(C)C ZINC001058850181 750186572 /nfs/dbraw/zinc/18/65/72/750186572.db2.gz GINQPEKNVUUYNJ-UHFFFAOYSA-N 1 1 337.464 0.315 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[C@@H]3CCOC3)CC2)C1=O ZINC000980879224 750295258 /nfs/dbraw/zinc/29/52/58/750295258.db2.gz IHIKEGPDYDLHCE-HOTGVXAUSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[C@@H]3CCOC3)CC2)C1=O ZINC000980879224 750295262 /nfs/dbraw/zinc/29/52/62/750295262.db2.gz IHIKEGPDYDLHCE-HOTGVXAUSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001005184263 750340320 /nfs/dbraw/zinc/34/03/20/750340320.db2.gz LKESHSAYTWFOGK-SJORKVTESA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001005184263 750340325 /nfs/dbraw/zinc/34/03/25/750340325.db2.gz LKESHSAYTWFOGK-SJORKVTESA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3ccncn3)C2)nn1 ZINC001105347861 750349826 /nfs/dbraw/zinc/34/98/26/750349826.db2.gz OMPCGIOCBZKUOK-UHFFFAOYSA-N 1 1 343.391 0.057 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001059769500 750511160 /nfs/dbraw/zinc/51/11/60/750511160.db2.gz QVYRPGAYJZJDKT-BETUJISGSA-N 1 1 325.376 0.921 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+]Cc2nn(C)cc2Cl)nn1 ZINC001167838672 750521620 /nfs/dbraw/zinc/52/16/20/750521620.db2.gz KPDCHHCTCMYBDI-UHFFFAOYSA-N 1 1 337.815 0.761 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(CC)n3)[C@@H]2C)nn1 ZINC000987133812 750528743 /nfs/dbraw/zinc/52/87/43/750528743.db2.gz LGOBQMWUJCYCQF-GXTWGEPZSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+][C@H](C)c2nc(COC)no2)nn1 ZINC001167838833 750543767 /nfs/dbraw/zinc/54/37/67/750543767.db2.gz NOIZBMIAXXTVCI-LLVKDONJSA-N 1 1 349.395 0.464 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001005862312 750741797 /nfs/dbraw/zinc/74/17/97/750741797.db2.gz LILFQIZCAWBJIP-ABAIWWIYSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ocnc2C)C1 ZINC001005863153 750743076 /nfs/dbraw/zinc/74/30/76/750743076.db2.gz YILLEUFUGPPADF-WFASDCNBSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ocnc2C)C1 ZINC001005863153 750743081 /nfs/dbraw/zinc/74/30/81/750743081.db2.gz YILLEUFUGPPADF-WFASDCNBSA-N 1 1 344.415 0.657 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001059797372 750785430 /nfs/dbraw/zinc/78/54/30/750785430.db2.gz YJRKYQKTFMFJRN-XDQVBPFNSA-N 1 1 328.420 0.560 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC([C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001005942489 750825228 /nfs/dbraw/zinc/82/52/28/750825228.db2.gz CUTMHQULFKHFMU-NSHDSACASA-N 1 1 340.387 0.668 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C)cn1 ZINC000987464576 750879237 /nfs/dbraw/zinc/87/92/37/750879237.db2.gz QANKSHOQRRBANV-COXVUDFISA-N 1 1 340.427 0.876 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000981696257 750982673 /nfs/dbraw/zinc/98/26/73/750982673.db2.gz WOTYRBYWXFDBIU-AWEZNQCLSA-N 1 1 329.404 0.688 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NC2CC2)C3)[nH]1 ZINC000981718315 751008647 /nfs/dbraw/zinc/00/86/47/751008647.db2.gz KNIJHBIVAMHDSP-UHFFFAOYSA-N 1 1 341.415 0.703 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NC2CC2)C3)[nH]1 ZINC000981718315 751008652 /nfs/dbraw/zinc/00/86/52/751008652.db2.gz KNIJHBIVAMHDSP-UHFFFAOYSA-N 1 1 341.415 0.703 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@H]2CCCNC2=O)C3)[nH]1 ZINC000981718478 751009173 /nfs/dbraw/zinc/00/91/73/751009173.db2.gz NWAKVNCADPGWHA-HNNXBMFYSA-N 1 1 341.415 0.703 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC[NH+](CC(=O)N(C)C)CC2)nn1 ZINC001006103608 751018105 /nfs/dbraw/zinc/01/81/05/751018105.db2.gz LKHXDKOYJBQAOU-UHFFFAOYSA-N 1 1 334.424 0.089 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CC[NH+]([C@@H]3CCNC3=O)CC2)nn1 ZINC001006112357 751027043 /nfs/dbraw/zinc/02/70/43/751027043.db2.gz HHBDWJOHFNXXNM-OAHLLOKOSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000981746837 751066661 /nfs/dbraw/zinc/06/66/61/751066661.db2.gz OPSVSBYBRLITRC-UHFFFAOYSA-N 1 1 348.447 0.331 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000981746837 751066668 /nfs/dbraw/zinc/06/66/68/751066668.db2.gz OPSVSBYBRLITRC-UHFFFAOYSA-N 1 1 348.447 0.331 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)NC)C2 ZINC000981776067 751087767 /nfs/dbraw/zinc/08/77/67/751087767.db2.gz FKGKSYDDQIZOEC-CABCVRRESA-N 1 1 335.448 0.638 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=O)NC)C2 ZINC000981776067 751087774 /nfs/dbraw/zinc/08/77/74/751087774.db2.gz FKGKSYDDQIZOEC-CABCVRRESA-N 1 1 335.448 0.638 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006186736 751102497 /nfs/dbraw/zinc/10/24/97/751102497.db2.gz LIYRNIZNPRGHKU-CJNGLKHVSA-N 1 1 333.432 0.084 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006186736 751102501 /nfs/dbraw/zinc/10/25/01/751102501.db2.gz LIYRNIZNPRGHKU-CJNGLKHVSA-N 1 1 333.432 0.084 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C2)C1 ZINC000981812667 751133831 /nfs/dbraw/zinc/13/38/31/751133831.db2.gz SIZOVOIOMKLIKB-QGZVFWFLSA-N 1 1 343.475 0.761 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CN(C(=O)c3ccn[nH]3)C2)CC1 ZINC001006242950 751151161 /nfs/dbraw/zinc/15/11/61/751151161.db2.gz KRZFSCWHJGBVLN-ZDUSSCGKSA-N 1 1 343.431 0.332 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001098514256 751164188 /nfs/dbraw/zinc/16/41/88/751164188.db2.gz MLTHTRDOKBUTQO-UHFFFAOYSA-N 1 1 332.404 0.036 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC000981846239 751180293 /nfs/dbraw/zinc/18/02/93/751180293.db2.gz CLUIHPJDPKYGDI-UHFFFAOYSA-N 1 1 340.427 0.671 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1 ZINC001028139914 751191010 /nfs/dbraw/zinc/19/10/10/751191010.db2.gz GHTUQYGIAOFHQN-OAGGEKHMSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001028141383 751196528 /nfs/dbraw/zinc/19/65/28/751196528.db2.gz LEDXGXFQQSHSOL-OAGGEKHMSA-N 1 1 326.400 0.760 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981877274 751237210 /nfs/dbraw/zinc/23/72/10/751237210.db2.gz ZUBUTYXOFJJXKO-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981877274 751237217 /nfs/dbraw/zinc/23/72/17/751237217.db2.gz ZUBUTYXOFJJXKO-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C2)C1 ZINC000981919183 751267408 /nfs/dbraw/zinc/26/74/08/751267408.db2.gz YMMQKIUHIOVJRA-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)C1CC[NH+](CC(=O)NC)CC1 ZINC001006348043 751273137 /nfs/dbraw/zinc/27/31/37/751273137.db2.gz MCIFTIIJCWNVST-UHFFFAOYSA-N 1 1 327.428 0.879 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001087435969 751313869 /nfs/dbraw/zinc/31/38/69/751313869.db2.gz QLRWNJAMPWBIEO-OWCLPIDISA-N 1 1 326.400 0.275 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001087435969 751313872 /nfs/dbraw/zinc/31/38/72/751313872.db2.gz QLRWNJAMPWBIEO-OWCLPIDISA-N 1 1 326.400 0.275 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001211999613 752364387 /nfs/dbraw/zinc/36/43/87/752364387.db2.gz RJNRGQZZDTUTIW-ZIAGYGMSSA-N 1 1 340.468 0.866 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001211999613 752364399 /nfs/dbraw/zinc/36/43/99/752364399.db2.gz RJNRGQZZDTUTIW-ZIAGYGMSSA-N 1 1 340.468 0.866 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000988610314 752369976 /nfs/dbraw/zinc/36/99/76/752369976.db2.gz FYWOPIONGSSELJ-BXUZGUMPSA-N 1 1 327.392 0.891 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccnc(C)n2)C1=O ZINC001028325752 752374831 /nfs/dbraw/zinc/37/48/31/752374831.db2.gz MHBKTHSKJINTKM-ZBFHGGJFSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccnc(C)n2)C1=O ZINC001028325752 752374838 /nfs/dbraw/zinc/37/48/38/752374838.db2.gz MHBKTHSKJINTKM-ZBFHGGJFSA-N 1 1 343.431 0.766 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001007461906 752409500 /nfs/dbraw/zinc/40/95/00/752409500.db2.gz UTYOCVQCKNLTRX-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001007461906 752409503 /nfs/dbraw/zinc/40/95/03/752409503.db2.gz UTYOCVQCKNLTRX-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2[C@H](CC)C(N)=O)CC1 ZINC001028334056 752414481 /nfs/dbraw/zinc/41/44/81/752414481.db2.gz VLDWYHGZRGAYMF-JKSUJKDBSA-N 1 1 334.464 0.176 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1OC ZINC001212032171 752430469 /nfs/dbraw/zinc/43/04/69/752430469.db2.gz NMDYLSFZUJMSRW-BZUAXINKSA-N 1 1 326.437 0.964 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001007484909 752436166 /nfs/dbraw/zinc/43/61/66/752436166.db2.gz UTTIDGHYNIPQKN-LBPRGKRZSA-N 1 1 327.388 0.891 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000988650261 752469897 /nfs/dbraw/zinc/46/98/97/752469897.db2.gz DTIJIRJMZVSMRI-AAEUAGOBSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1 ZINC001007518523 752474696 /nfs/dbraw/zinc/47/46/96/752474696.db2.gz CGMNZEMUGNHHGO-CVEARBPZSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1 ZINC001007518523 752474701 /nfs/dbraw/zinc/47/47/01/752474701.db2.gz CGMNZEMUGNHHGO-CVEARBPZSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnn(CC)n2)C1 ZINC001007519286 752475646 /nfs/dbraw/zinc/47/56/46/752475646.db2.gz NHIWJNHOOAJSDZ-RDJZCZTQSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnn(CC)n2)C1 ZINC001007519286 752475655 /nfs/dbraw/zinc/47/56/55/752475655.db2.gz NHIWJNHOOAJSDZ-RDJZCZTQSA-N 1 1 344.463 0.476 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000937754907 752501030 /nfs/dbraw/zinc/50/10/30/752501030.db2.gz AVIXUQMOQRPNQX-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3nccn3)C2)nn1 ZINC001098678269 752506939 /nfs/dbraw/zinc/50/69/39/752506939.db2.gz GATBTPJKEKECOO-AWEZNQCLSA-N 1 1 330.396 0.009 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(OC)no2)C1 ZINC000937851410 752564747 /nfs/dbraw/zinc/56/47/47/752564747.db2.gz XDDHJVMAMPDVBX-STQMWFEESA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(OC)no2)C1 ZINC000937851410 752564753 /nfs/dbraw/zinc/56/47/53/752564753.db2.gz XDDHJVMAMPDVBX-STQMWFEESA-N 1 1 346.387 0.112 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cscn3)C2)C1=O ZINC001028441837 752660058 /nfs/dbraw/zinc/66/00/58/752660058.db2.gz OVXAWEBUVMROIW-JSGCOSHPSA-N 1 1 334.445 0.982 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC2CC2)c1 ZINC001021221728 752671445 /nfs/dbraw/zinc/67/14/45/752671445.db2.gz HQGOWCVISTUOLR-GOOCMWNKSA-N 1 1 341.415 0.890 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccncc3C#N)C2)C1 ZINC001068464393 790322996 /nfs/dbraw/zinc/32/29/96/790322996.db2.gz JQRQGEUVXAVAHC-XNRPHZJLSA-N 1 1 329.404 0.012 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001028448971 752678217 /nfs/dbraw/zinc/67/82/17/752678217.db2.gz RBDPVTGIDLGUGJ-HIFRSBDPSA-N 1 1 331.420 0.557 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC ZINC001212092911 752714371 /nfs/dbraw/zinc/71/43/71/752714371.db2.gz WKMDTFGYJYXNMX-HZPDHXFCSA-N 1 1 344.452 0.448 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C#CC2CC2)CCO3)C1 ZINC001007657586 752726019 /nfs/dbraw/zinc/72/60/19/752726019.db2.gz NESNPIGOLJCCBU-APWZRJJASA-N 1 1 345.443 0.181 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464768 752753435 /nfs/dbraw/zinc/75/34/35/752753435.db2.gz FEPHXWUWEMNITI-XJKSGUPXSA-N 1 1 348.472 0.888 20 30 ECEDMO Cn1nccc1CC[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467325 752759855 /nfs/dbraw/zinc/75/98/55/752759855.db2.gz AHHDEZXPCHCPSY-CYBMUJFWSA-N 1 1 326.404 0.914 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cn(C)cn3)C2)C1=O ZINC001028481435 752810273 /nfs/dbraw/zinc/81/02/73/752810273.db2.gz XVBIPNNDNPCNMD-HIFRSBDPSA-N 1 1 331.420 0.259 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001028482140 752812135 /nfs/dbraw/zinc/81/21/35/752812135.db2.gz JUHBWEWWBHLZKB-HIFRSBDPSA-N 1 1 344.415 0.626 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccco2)[C@@H](O)C1 ZINC001083455204 752825136 /nfs/dbraw/zinc/82/51/36/752825136.db2.gz RFJBGYSTKRWOFI-KGLIPLIRSA-N 1 1 328.372 0.478 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccncc3C#N)C2)C1 ZINC001068464393 790323011 /nfs/dbraw/zinc/32/30/11/790323011.db2.gz JQRQGEUVXAVAHC-XNRPHZJLSA-N 1 1 329.404 0.012 20 30 ECEDMO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1COC(=O)N1 ZINC001028519022 753014587 /nfs/dbraw/zinc/01/45/87/753014587.db2.gz IRSRQCMHMXZQOZ-CVEARBPZSA-N 1 1 327.384 0.585 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1c(Br)cnn1C ZINC001126379014 753085603 /nfs/dbraw/zinc/08/56/03/753085603.db2.gz VSTHLFIFGMFYEB-CYBMUJFWSA-N 1 1 345.241 0.716 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000988963841 753087455 /nfs/dbraw/zinc/08/74/55/753087455.db2.gz GOSZVSWTBBWUFA-IKGGRYGDSA-N 1 1 346.475 0.143 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028536731 753096269 /nfs/dbraw/zinc/09/62/69/753096269.db2.gz WTDRVFKQRSRNKC-KBPBESRZSA-N 1 1 331.420 0.777 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCCN(CCOC)c1cnc(C#N)cn1 ZINC001126380710 753117553 /nfs/dbraw/zinc/11/75/53/753117553.db2.gz PJJZHJOMRCLZQF-UHFFFAOYSA-N 1 1 334.424 0.259 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCOCC3)C[C@@]2(C)C1 ZINC000982651296 753220699 /nfs/dbraw/zinc/22/06/99/753220699.db2.gz KGDAAVHWTXAFKT-KDURUIRLSA-N 1 1 333.476 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001028576369 753249641 /nfs/dbraw/zinc/24/96/41/753249641.db2.gz CSZUQDCWQSVGDP-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2ccccc2C#N)C1 ZINC001051493089 762199952 /nfs/dbraw/zinc/19/99/52/762199952.db2.gz HIUUIAQUSJOQIW-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2ccccc2C#N)C1 ZINC001051493089 762199957 /nfs/dbraw/zinc/19/99/57/762199957.db2.gz HIUUIAQUSJOQIW-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1 ZINC001008076410 753280047 /nfs/dbraw/zinc/28/00/47/753280047.db2.gz OMQFADLVIZUXDR-WFASDCNBSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001008120550 753336774 /nfs/dbraw/zinc/33/67/74/753336774.db2.gz KBWZSHFFTZFNLF-CQSZACIVSA-N 1 1 327.388 0.100 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001051495099 762207347 /nfs/dbraw/zinc/20/73/47/762207347.db2.gz QPFHYVFRVWGRMU-YPMHNXCESA-N 1 1 332.408 0.169 20 30 ECEDMO CCCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 ZINC001051495411 762208917 /nfs/dbraw/zinc/20/89/17/762208917.db2.gz ULALQSXJQGIODY-GXTWGEPZSA-N 1 1 334.424 0.473 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1=O ZINC001028581646 753382493 /nfs/dbraw/zinc/38/24/93/753382493.db2.gz LIPAULVSXMQRKL-PBHICJAKSA-N 1 1 340.427 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cn(CC)nn2)[C@@H]1C ZINC001088631596 753431294 /nfs/dbraw/zinc/43/12/94/753431294.db2.gz VUYIBLYOCIYAQF-PVAVHDDUSA-N 1 1 344.463 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cn(CC)nn2)[C@@H]1C ZINC001088631596 753431300 /nfs/dbraw/zinc/43/13/00/753431300.db2.gz VUYIBLYOCIYAQF-PVAVHDDUSA-N 1 1 344.463 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(CC)o2)[C@@H]1C ZINC001088631137 753442682 /nfs/dbraw/zinc/44/26/82/753442682.db2.gz UESHMQUUPAMZRE-ILXRZTDVSA-N 1 1 345.447 0.809 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(CC)o2)[C@@H]1C ZINC001088631137 753442689 /nfs/dbraw/zinc/44/26/89/753442689.db2.gz UESHMQUUPAMZRE-ILXRZTDVSA-N 1 1 345.447 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnn(CC)n2)[C@@H]1C ZINC001088630907 753443131 /nfs/dbraw/zinc/44/31/31/753443131.db2.gz HGRLZCIYBUESKF-PVAVHDDUSA-N 1 1 344.463 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnn(CC)n2)[C@@H]1C ZINC001088630907 753443136 /nfs/dbraw/zinc/44/31/36/753443136.db2.gz HGRLZCIYBUESKF-PVAVHDDUSA-N 1 1 344.463 0.475 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3nc(C)ccc3=O)C[C@@]2(C)C1 ZINC000982752917 753483606 /nfs/dbraw/zinc/48/36/06/753483606.db2.gz NFDCPBNSUZFDGD-KDURUIRLSA-N 1 1 342.443 0.745 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)CC1(C)C ZINC001008280022 753542142 /nfs/dbraw/zinc/54/21/42/753542142.db2.gz ZZCBZXAVPLVROV-LSDHHAIUSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)CC1(C)C ZINC001008280022 753542147 /nfs/dbraw/zinc/54/21/47/753542147.db2.gz ZZCBZXAVPLVROV-LSDHHAIUSA-N 1 1 343.431 0.474 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@]2(C)C1 ZINC000982784528 753553580 /nfs/dbraw/zinc/55/35/80/753553580.db2.gz MTWFDXBRFVXEBT-HDICACEKSA-N 1 1 348.447 0.627 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000982783422 753559598 /nfs/dbraw/zinc/55/95/98/753559598.db2.gz SNEQAWALXRGBPJ-CVEARBPZSA-N 1 1 340.427 0.593 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC001008296229 753564409 /nfs/dbraw/zinc/56/44/09/753564409.db2.gz QKIVRTCXHHEWKV-SMDDNHRTSA-N 1 1 347.419 0.863 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CN(C)C(=O)C(C)C)C2)nn1 ZINC001098681861 753652531 /nfs/dbraw/zinc/65/25/31/753652531.db2.gz YHFLCXCIUSHPTB-OAHLLOKOSA-N 1 1 348.451 0.442 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 ZINC001098683259 753694561 /nfs/dbraw/zinc/69/45/61/753694561.db2.gz VPTHCXLUQVKAKM-HZPDHXFCSA-N 1 1 345.451 0.539 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@]2(C)C1 ZINC001101224386 753739052 /nfs/dbraw/zinc/73/90/52/753739052.db2.gz SXKWCJHTDJXXEP-XUJVJEKNSA-N 1 1 327.375 0.724 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(C)n3)C2)nn1 ZINC001105374086 753746062 /nfs/dbraw/zinc/74/60/62/753746062.db2.gz HGVMZTIKINANEV-UHFFFAOYSA-N 1 1 327.392 0.739 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001008468914 753772477 /nfs/dbraw/zinc/77/24/77/753772477.db2.gz OKZBTYJRSIQFJN-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001008468914 753772480 /nfs/dbraw/zinc/77/24/80/753772480.db2.gz OKZBTYJRSIQFJN-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC001008471460 753775246 /nfs/dbraw/zinc/77/52/46/753775246.db2.gz ZRPHSAYMPZKBFQ-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC001008471460 753775247 /nfs/dbraw/zinc/77/52/47/753775247.db2.gz ZRPHSAYMPZKBFQ-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)cn2)C1 ZINC001105532124 753801652 /nfs/dbraw/zinc/80/16/52/753801652.db2.gz RMTZDRSAUPJOBE-MRXNPFEDSA-N 1 1 345.447 0.957 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982819396 753849957 /nfs/dbraw/zinc/84/99/57/753849957.db2.gz DNQOHKWLMXUSQT-BHYGNILZSA-N 1 1 338.473 0.757 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583140 753864628 /nfs/dbraw/zinc/86/46/28/753864628.db2.gz KPZYVSWRWDREAJ-LSDHHAIUSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2csnn2)C1 ZINC001028602132 753884528 /nfs/dbraw/zinc/88/45/28/753884528.db2.gz XQVFZDXZXFSYNI-ZFWWWQNUSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2csnn2)C1 ZINC001028602132 753884536 /nfs/dbraw/zinc/88/45/36/753884536.db2.gz XQVFZDXZXFSYNI-ZFWWWQNUSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2csnn2)C1 ZINC001028602131 753884682 /nfs/dbraw/zinc/88/46/82/753884682.db2.gz XQVFZDXZXFSYNI-HIFRSBDPSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2csnn2)C1 ZINC001028602131 753884692 /nfs/dbraw/zinc/88/46/92/753884692.db2.gz XQVFZDXZXFSYNI-HIFRSBDPSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@H+](CCO)C[C@]3(C)C2)CC1 ZINC000982832453 753884753 /nfs/dbraw/zinc/88/47/53/753884753.db2.gz ZJHBVLIJVYYHBL-KDURUIRLSA-N 1 1 333.476 0.494 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001008543353 753893401 /nfs/dbraw/zinc/89/34/01/753893401.db2.gz VEIRQLRMELXNJK-AWEZNQCLSA-N 1 1 330.432 0.741 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008548991 753901350 /nfs/dbraw/zinc/90/13/50/753901350.db2.gz ZCHOAYPMYBTEDJ-ZACQAIPSSA-N 1 1 325.412 0.740 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008548991 753901359 /nfs/dbraw/zinc/90/13/59/753901359.db2.gz ZCHOAYPMYBTEDJ-ZACQAIPSSA-N 1 1 325.412 0.740 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001028605424 753906415 /nfs/dbraw/zinc/90/64/15/753906415.db2.gz TXUQNTPHSKZBFJ-ARFHVFGLSA-N 1 1 330.432 0.959 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001028624670 753965852 /nfs/dbraw/zinc/96/58/52/753965852.db2.gz FGZQMGOGWCMSSH-GJZGRUSLSA-N 1 1 330.432 0.919 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989480596 754016159 /nfs/dbraw/zinc/01/61/59/754016159.db2.gz IYJZBQSPIWSXFZ-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982861272 754019835 /nfs/dbraw/zinc/01/98/35/754019835.db2.gz DRLRBTDCSXEKLA-DOPJRALCSA-N 1 1 331.416 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nccc(C)n3)C[C@@H]2C)nn1 ZINC000989535414 754078031 /nfs/dbraw/zinc/07/80/31/754078031.db2.gz AYSANOSBZCAYHG-KBPBESRZSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cn(C)nn3)C[C@@H]2C)nn1 ZINC000989543511 754092133 /nfs/dbraw/zinc/09/21/33/754092133.db2.gz LTSRZEOJTYGIDC-QWHCGFSZSA-N 1 1 344.423 0.376 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CC3(CO2)CCN(C(=O)[C@@H](C)C#N)CC3)[nH]1 ZINC000982888564 754098959 /nfs/dbraw/zinc/09/89/59/754098959.db2.gz DCHAODXTVHMOOR-GXTWGEPZSA-N 1 1 346.435 0.760 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000982891918 754105362 /nfs/dbraw/zinc/10/53/62/754105362.db2.gz VLKUHMILMGZFGF-TZMCWYRMSA-N 1 1 333.392 0.717 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028638124 754109692 /nfs/dbraw/zinc/10/96/92/754109692.db2.gz DGOUNBQPKIRSDS-GFCCVEGCSA-N 1 1 341.433 0.945 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1)C1CCC1 ZINC000982896994 754110913 /nfs/dbraw/zinc/11/09/13/754110913.db2.gz JXELAWSHWDJDRV-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001008844509 754193508 /nfs/dbraw/zinc/19/35/08/754193508.db2.gz HZMRLWDJFINRPE-JYJNAYRXSA-N 1 1 333.436 0.840 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000982920041 754196002 /nfs/dbraw/zinc/19/60/02/754196002.db2.gz BXGGWGFPLWTLCP-CABCVRRESA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000982920041 754196007 /nfs/dbraw/zinc/19/60/07/754196007.db2.gz BXGGWGFPLWTLCP-CABCVRRESA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C2=COCCC2)C1 ZINC000982919905 754196230 /nfs/dbraw/zinc/19/62/30/754196230.db2.gz AXOADQXTHQZLMW-WBVHZDCISA-N 1 1 345.443 0.743 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C2=COCCC2)C1 ZINC000982919905 754196236 /nfs/dbraw/zinc/19/62/36/754196236.db2.gz AXOADQXTHQZLMW-WBVHZDCISA-N 1 1 345.443 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC000982924679 754212651 /nfs/dbraw/zinc/21/26/51/754212651.db2.gz ZBCQZSJTQWSPKC-BBRMVZONSA-N 1 1 346.406 0.830 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC000982924679 754212660 /nfs/dbraw/zinc/21/26/60/754212660.db2.gz ZBCQZSJTQWSPKC-BBRMVZONSA-N 1 1 346.406 0.830 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cc(C(N)=O)cn3C)CCC[C@H]12 ZINC000991625402 762279586 /nfs/dbraw/zinc/27/95/86/762279586.db2.gz PCIFNDCKXSMDQJ-YJBOKZPZSA-N 1 1 328.416 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2nonc2C)C1 ZINC000982937334 754247433 /nfs/dbraw/zinc/24/74/33/754247433.db2.gz ULSHUDFXWNIHRP-KBPBESRZSA-N 1 1 345.403 0.054 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2nonc2C)C1 ZINC000982937334 754247437 /nfs/dbraw/zinc/24/74/37/754247437.db2.gz ULSHUDFXWNIHRP-KBPBESRZSA-N 1 1 345.403 0.054 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccnnc3C)C2)C1=O ZINC001028663935 754432576 /nfs/dbraw/zinc/43/25/76/754432576.db2.gz ZNSQLJHEXVYIOV-ZBFHGGJFSA-N 1 1 343.431 0.624 20 30 ECEDMO C=C(Cl)CNCc1cn(C2CN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001105377336 754525804 /nfs/dbraw/zinc/52/58/04/754525804.db2.gz YILSCMVXZMRGQA-UHFFFAOYSA-N 1 1 340.859 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C3(CF)CC3)C[C@H]21 ZINC001009194037 754638074 /nfs/dbraw/zinc/63/80/74/754638074.db2.gz VWNAYTIZPRSHRN-JONQDZQNSA-N 1 1 347.434 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C3(CF)CC3)C[C@H]21 ZINC001009194037 754638077 /nfs/dbraw/zinc/63/80/77/754638077.db2.gz VWNAYTIZPRSHRN-JONQDZQNSA-N 1 1 347.434 0.654 20 30 ECEDMO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccn[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105611575 754743020 /nfs/dbraw/zinc/74/30/20/754743020.db2.gz SYMCTPABGZXGER-RWQQGDIJSA-N 1 1 344.459 0.942 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nncs3)C2)[nH]1 ZINC001051556060 762331810 /nfs/dbraw/zinc/33/18/10/762331810.db2.gz QQMCKNOVHRCDFI-LLVKDONJSA-N 1 1 332.389 0.369 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cncn3C)C2)nn1 ZINC001098687968 754770068 /nfs/dbraw/zinc/77/00/68/754770068.db2.gz GKHSCSGRGHHIMZ-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001028711435 754792532 /nfs/dbraw/zinc/79/25/32/754792532.db2.gz AWDAREPEWYRABJ-ZWKOTPCHSA-N 1 1 333.476 0.949 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)C1=O ZINC000990165193 754809596 /nfs/dbraw/zinc/80/95/96/754809596.db2.gz VXXSFNAFAIIYGS-HDMKZQKVSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3csnn3)C2)C1=O ZINC001028720070 754834141 /nfs/dbraw/zinc/83/41/41/754834141.db2.gz PLDAKJLYZCONIK-AAEUAGOBSA-N 1 1 335.433 0.377 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990249605 754876265 /nfs/dbraw/zinc/87/62/65/754876265.db2.gz FSLIBJNTSCXYBH-FABXCBLPSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cc(C)nc(OC)n2)C1 ZINC001059106204 754952745 /nfs/dbraw/zinc/95/27/45/754952745.db2.gz BWRROKOZMPQIRS-GJZGRUSLSA-N 1 1 343.431 0.904 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cc(C)nc(OC)n2)C1 ZINC001059106204 754952749 /nfs/dbraw/zinc/95/27/49/754952749.db2.gz BWRROKOZMPQIRS-GJZGRUSLSA-N 1 1 343.431 0.904 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cnc(C)n3C)C2)C1=O ZINC001028762401 755015120 /nfs/dbraw/zinc/01/51/20/755015120.db2.gz LJNSYISDQFLXHK-GJZGRUSLSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cnc(C)n3C)C2)C1=O ZINC001028762402 755015334 /nfs/dbraw/zinc/01/53/34/755015334.db2.gz LJNSYISDQFLXHK-HUUCEWRRSA-N 1 1 345.447 0.567 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 ZINC001028773618 755061134 /nfs/dbraw/zinc/06/11/34/755061134.db2.gz NFEHLGAWHQYKCU-SWLSCSKDSA-N 1 1 345.378 0.317 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(CCn3cncn3)C2)CC1 ZINC001009631401 755094045 /nfs/dbraw/zinc/09/40/45/755094045.db2.gz YBWTWAFZPCGNBZ-KRWDZBQOSA-N 1 1 344.463 0.204 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnnn3CC)C2)c1 ZINC001028792146 755137676 /nfs/dbraw/zinc/13/76/76/755137676.db2.gz DEMFLOSRWKTQLQ-OAHLLOKOSA-N 1 1 338.415 0.926 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+](Cc3cnnn3CC)C2)c1 ZINC001028792146 755137684 /nfs/dbraw/zinc/13/76/84/755137684.db2.gz DEMFLOSRWKTQLQ-OAHLLOKOSA-N 1 1 338.415 0.926 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001028795012 755145236 /nfs/dbraw/zinc/14/52/36/755145236.db2.gz QMPFCHSDERAWBQ-UKRRQHHQSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001028856597 755320982 /nfs/dbraw/zinc/32/09/82/755320982.db2.gz LDACHYPPCHEHMO-KBPBESRZSA-N 1 1 331.420 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CC2CCOCC2)C1 ZINC000990551114 755379357 /nfs/dbraw/zinc/37/93/57/755379357.db2.gz TVXNQWGRODTLQB-INIZCTEOSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CC2CCOCC2)C1 ZINC000990551114 755379362 /nfs/dbraw/zinc/37/93/62/755379362.db2.gz TVXNQWGRODTLQB-INIZCTEOSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001075964754 755491297 /nfs/dbraw/zinc/49/12/97/755491297.db2.gz ITWBHGQTPPEKTJ-MELADBBJSA-N 1 1 331.420 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncc(C)c2)C1 ZINC000990618771 755502671 /nfs/dbraw/zinc/50/26/71/755502671.db2.gz TXYWAIULWXFTJU-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncc(C)c2)C1 ZINC000990618771 755502674 /nfs/dbraw/zinc/50/26/74/755502674.db2.gz TXYWAIULWXFTJU-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001010005862 755551217 /nfs/dbraw/zinc/55/12/17/755551217.db2.gz RVAMLADJLPSDGP-DZGCQCFKSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001010005862 755551221 /nfs/dbraw/zinc/55/12/21/755551221.db2.gz RVAMLADJLPSDGP-DZGCQCFKSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3csnn3)[C@H]2C)C1=O ZINC001088777193 755634675 /nfs/dbraw/zinc/63/46/75/755634675.db2.gz KZZFQLWZCHCJER-MDZLAQPJSA-N 1 1 335.433 0.518 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3csnn3)[C@H]2C)C1=O ZINC001088777193 755634678 /nfs/dbraw/zinc/63/46/78/755634678.db2.gz KZZFQLWZCHCJER-MDZLAQPJSA-N 1 1 335.433 0.518 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990705005 755655462 /nfs/dbraw/zinc/65/54/62/755655462.db2.gz WXQJXVQZFMZBIZ-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO O=C(CN1CCCC1=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010108541 755658718 /nfs/dbraw/zinc/65/87/18/755658718.db2.gz VHBSROMMRCIEFC-KRWDZBQOSA-N 1 1 325.412 0.851 20 30 ECEDMO O=C(CN1CCCC1=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010108541 755658722 /nfs/dbraw/zinc/65/87/22/755658722.db2.gz VHBSROMMRCIEFC-KRWDZBQOSA-N 1 1 325.412 0.851 20 30 ECEDMO O=C(CN1CCCC1=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010108542 755658756 /nfs/dbraw/zinc/65/87/56/755658756.db2.gz VHBSROMMRCIEFC-QGZVFWFLSA-N 1 1 325.412 0.851 20 30 ECEDMO O=C(CN1CCCC1=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010108542 755658760 /nfs/dbraw/zinc/65/87/60/755658760.db2.gz VHBSROMMRCIEFC-QGZVFWFLSA-N 1 1 325.412 0.851 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3c2cccc3OC)[C@@H](O)C1 ZINC001083496038 755705692 /nfs/dbraw/zinc/70/56/92/755705692.db2.gz BFSWFDFSJDIUMN-OLZOCXBDSA-N 1 1 328.372 0.370 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088793412 755707867 /nfs/dbraw/zinc/70/78/67/755707867.db2.gz GLYKUQKJPJUOMB-WPGHFRTFSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088793412 755707871 /nfs/dbraw/zinc/70/78/71/755707871.db2.gz GLYKUQKJPJUOMB-WPGHFRTFSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088793771 755708862 /nfs/dbraw/zinc/70/88/62/755708862.db2.gz RHGGDTJHNFFDOH-WPGHFRTFSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088793771 755708864 /nfs/dbraw/zinc/70/88/64/755708864.db2.gz RHGGDTJHNFFDOH-WPGHFRTFSA-N 1 1 344.390 0.912 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001060075515 755825462 /nfs/dbraw/zinc/82/54/62/755825462.db2.gz GSQALZXTFDLQNR-CABCVRRESA-N 1 1 342.447 0.905 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)[C@@H](O)C1 ZINC001083525107 755907930 /nfs/dbraw/zinc/90/79/30/755907930.db2.gz ZXCHRDJQZKIIAO-CVEARBPZSA-N 1 1 325.368 0.739 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)[C@@H](O)C1 ZINC001083525107 755907937 /nfs/dbraw/zinc/90/79/37/755907937.db2.gz ZXCHRDJQZKIIAO-CVEARBPZSA-N 1 1 325.368 0.739 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)[C@@H](O)C1 ZINC001083525345 755912568 /nfs/dbraw/zinc/91/25/68/755912568.db2.gz MBZGDXADHZINNM-MNOVXSKESA-N 1 1 332.360 0.588 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)[C@@H](O)C1 ZINC001083525345 755912571 /nfs/dbraw/zinc/91/25/71/755912571.db2.gz MBZGDXADHZINNM-MNOVXSKESA-N 1 1 332.360 0.588 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)[C@@H](O)C1 ZINC001083531386 755952452 /nfs/dbraw/zinc/95/24/52/755952452.db2.gz LOLHAUZNFIOMOB-OAGGEKHMSA-N 1 1 329.400 0.251 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001051598108 762431933 /nfs/dbraw/zinc/43/19/33/762431933.db2.gz MFKCBLFDUURZKK-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1 ZINC001076012424 755993468 /nfs/dbraw/zinc/99/34/68/755993468.db2.gz FXEDEXBSHJEJHQ-DZGCQCFKSA-N 1 1 332.404 0.222 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC3OCCCO3)C2)nn1 ZINC001098661458 756052437 /nfs/dbraw/zinc/05/24/37/756052437.db2.gz MVGRPJZTCNVJLV-OAHLLOKOSA-N 1 1 349.435 0.870 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)[C@@H](O)C1 ZINC001083541788 756067037 /nfs/dbraw/zinc/06/70/37/756067037.db2.gz ZZCYJQMAIWDKLZ-CABCVRRESA-N 1 1 345.399 0.759 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001010395680 756080423 /nfs/dbraw/zinc/08/04/23/756080423.db2.gz CTEMMEFFMJBHQT-LSDHHAIUSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001010395680 756080429 /nfs/dbraw/zinc/08/04/29/756080429.db2.gz CTEMMEFFMJBHQT-LSDHHAIUSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccncc3F)C2)C1=O ZINC001010416206 756103849 /nfs/dbraw/zinc/10/38/49/756103849.db2.gz PIDKMVOORQJRHI-SWLSCSKDSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccncc3F)C2)C1=O ZINC001010416206 756103854 /nfs/dbraw/zinc/10/38/54/756103854.db2.gz PIDKMVOORQJRHI-SWLSCSKDSA-N 1 1 332.379 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)n2cccn2)CC1 ZINC001010430010 756130316 /nfs/dbraw/zinc/13/03/16/756130316.db2.gz YYOUPTFAQSNUEA-CVEARBPZSA-N 1 1 343.431 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)n2cccn2)CC1 ZINC001010430010 756130320 /nfs/dbraw/zinc/13/03/20/756130320.db2.gz YYOUPTFAQSNUEA-CVEARBPZSA-N 1 1 343.431 0.213 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c1 ZINC001010467894 756159696 /nfs/dbraw/zinc/15/96/96/756159696.db2.gz DWKWFHJDVOZGCB-GXTWGEPZSA-N 1 1 329.404 0.607 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001076183372 756181922 /nfs/dbraw/zinc/18/19/22/756181922.db2.gz WUZDZHWLSJJCSY-QWHCGFSZSA-N 1 1 331.420 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@](C)(O)C1CC1 ZINC001076192800 756184853 /nfs/dbraw/zinc/18/48/53/756184853.db2.gz SSXCCUGAAQSLCD-QOKNQOGYSA-N 1 1 349.475 0.646 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@](C)(O)C1CC1 ZINC001076192800 756184855 /nfs/dbraw/zinc/18/48/55/756184855.db2.gz SSXCCUGAAQSLCD-QOKNQOGYSA-N 1 1 349.475 0.646 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@@H]1N(C(=O)[C@H](C)C#N)CC2 ZINC001014287881 762448525 /nfs/dbraw/zinc/44/85/25/762448525.db2.gz ZEFDGMGLUYDFKX-IFIJOSMWSA-N 1 1 329.404 0.991 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001010535120 756216120 /nfs/dbraw/zinc/21/61/20/756216120.db2.gz MLDVLQJQXFLXBE-HIFRSBDPSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001010535120 756216123 /nfs/dbraw/zinc/21/61/23/756216123.db2.gz MLDVLQJQXFLXBE-HIFRSBDPSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001010535120 756216125 /nfs/dbraw/zinc/21/61/25/756216125.db2.gz MLDVLQJQXFLXBE-HIFRSBDPSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001010535120 756216128 /nfs/dbraw/zinc/21/61/28/756216128.db2.gz MLDVLQJQXFLXBE-HIFRSBDPSA-N 1 1 331.420 0.238 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)c1 ZINC001076223041 756233978 /nfs/dbraw/zinc/23/39/78/756233978.db2.gz FPFDCWMIWNVLFL-DUVNUKRYSA-N 1 1 326.400 0.344 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)c1 ZINC001076223041 756233983 /nfs/dbraw/zinc/23/39/83/756233983.db2.gz FPFDCWMIWNVLFL-DUVNUKRYSA-N 1 1 326.400 0.344 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1coc(CC)n1 ZINC001076235069 756256014 /nfs/dbraw/zinc/25/60/14/756256014.db2.gz ADGYXAGMIRKBHU-ZFWWWQNUSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1coc(CC)n1 ZINC001076235069 756256016 /nfs/dbraw/zinc/25/60/16/756256016.db2.gz ADGYXAGMIRKBHU-ZFWWWQNUSA-N 1 1 346.431 0.959 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1=O ZINC001010647984 756348204 /nfs/dbraw/zinc/34/82/04/756348204.db2.gz CYBSFILZKKTQKQ-AWEZNQCLSA-N 1 1 325.372 0.589 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)cc1F ZINC001010666783 756370699 /nfs/dbraw/zinc/37/06/99/756370699.db2.gz DWWNIMYQIPPBDD-MRXNPFEDSA-N 1 1 346.406 0.720 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)cc1F ZINC001010666783 756370704 /nfs/dbraw/zinc/37/07/04/756370704.db2.gz DWWNIMYQIPPBDD-MRXNPFEDSA-N 1 1 346.406 0.720 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010688793 756399842 /nfs/dbraw/zinc/39/98/42/756399842.db2.gz HONFROWBCIFWCH-DOTOQJQBSA-N 1 1 346.406 0.718 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010688793 756399845 /nfs/dbraw/zinc/39/98/45/756399845.db2.gz HONFROWBCIFWCH-DOTOQJQBSA-N 1 1 346.406 0.718 20 30 ECEDMO Cn1oc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)cc1=O ZINC001010781155 756512888 /nfs/dbraw/zinc/51/28/88/756512888.db2.gz PNPZHGLKXJKNOB-AWEZNQCLSA-N 1 1 326.356 0.854 20 30 ECEDMO Cn1oc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)cc1=O ZINC001010781155 756512890 /nfs/dbraw/zinc/51/28/90/756512890.db2.gz PNPZHGLKXJKNOB-AWEZNQCLSA-N 1 1 326.356 0.854 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 ZINC001076459990 756547182 /nfs/dbraw/zinc/54/71/82/756547182.db2.gz QUAKATFUMXGEFD-WCQYABFASA-N 1 1 328.376 0.140 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001076506368 756591205 /nfs/dbraw/zinc/59/12/05/756591205.db2.gz UBGVTVDYUAKFKN-JKSUJKDBSA-N 1 1 337.464 0.910 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001051616213 762481477 /nfs/dbraw/zinc/48/14/77/762481477.db2.gz BWXPMYRCOCFHOI-ZNMIVQPWSA-N 1 1 349.435 0.113 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)[nH]1 ZINC000990892744 756712719 /nfs/dbraw/zinc/71/27/19/756712719.db2.gz MGIDILJUQKCKGF-ZBFHGGJFSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)[nH]1 ZINC001011019831 756773526 /nfs/dbraw/zinc/77/35/26/756773526.db2.gz KBIUFALHHSVCSL-SFHVURJKSA-N 1 1 341.415 0.657 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011020165 756774187 /nfs/dbraw/zinc/77/41/87/756774187.db2.gz TVTZZFQTMBGHDQ-ZDUSSCGKSA-N 1 1 329.404 0.655 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001011028380 756790934 /nfs/dbraw/zinc/79/09/34/756790934.db2.gz XTHYVIGMAUEFQP-ZDUSSCGKSA-N 1 1 329.404 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2coc(CC)n2)CC1 ZINC001011029650 756793349 /nfs/dbraw/zinc/79/33/49/756793349.db2.gz KIQXXVXEOFWLQD-HNNXBMFYSA-N 1 1 344.415 0.619 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2coc(CC)n2)CC1 ZINC001011029650 756793354 /nfs/dbraw/zinc/79/33/54/756793354.db2.gz KIQXXVXEOFWLQD-HNNXBMFYSA-N 1 1 344.415 0.619 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)nn2)C1 ZINC001060129904 756826237 /nfs/dbraw/zinc/82/62/37/756826237.db2.gz XLRJQBMBNOBMCU-GJZGRUSLSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)nn2)C1 ZINC001060129904 756826242 /nfs/dbraw/zinc/82/62/42/756826242.db2.gz XLRJQBMBNOBMCU-GJZGRUSLSA-N 1 1 344.419 0.154 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2sccc2-n2ccnn2)[C@@H](O)C1 ZINC001083552585 756841358 /nfs/dbraw/zinc/84/13/58/756841358.db2.gz LXGKZCKMBWBBQZ-YPMHNXCESA-N 1 1 333.417 0.680 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2sccc2-n2ccnn2)[C@@H](O)C1 ZINC001083552585 756841365 /nfs/dbraw/zinc/84/13/65/756841365.db2.gz LXGKZCKMBWBBQZ-YPMHNXCESA-N 1 1 333.417 0.680 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nc(C)c[nH]1 ZINC001076710450 756887532 /nfs/dbraw/zinc/88/75/32/756887532.db2.gz HXWHIXJGSNGTRC-JSGCOSHPSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nc(C)c[nH]1 ZINC001076710450 756887535 /nfs/dbraw/zinc/88/75/35/756887535.db2.gz HXWHIXJGSNGTRC-JSGCOSHPSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCc1cn[nH]c1 ZINC001076705680 756894561 /nfs/dbraw/zinc/89/45/61/756894561.db2.gz XDXOFDQPWMTYPL-HOCLYGCPSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCc1cn[nH]c1 ZINC001076705680 756894568 /nfs/dbraw/zinc/89/45/68/756894568.db2.gz XDXOFDQPWMTYPL-HOCLYGCPSA-N 1 1 345.447 0.451 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)C1=O ZINC001048771394 756944530 /nfs/dbraw/zinc/94/45/30/756944530.db2.gz KCDOZMZWVXQFEI-TYNCELHUSA-N 1 1 327.388 0.121 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnns4)C[C@@H]3C2)[nH]1 ZINC001048772291 756945596 /nfs/dbraw/zinc/94/55/96/756945596.db2.gz WNHYGSVJYQYUMF-PHIMTYICSA-N 1 1 328.401 0.942 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnns4)C[C@@H]3C2)[nH]1 ZINC001048772291 756945597 /nfs/dbraw/zinc/94/55/97/756945597.db2.gz WNHYGSVJYQYUMF-PHIMTYICSA-N 1 1 328.401 0.942 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771816 756945641 /nfs/dbraw/zinc/94/56/41/756945641.db2.gz PMYGGMIGIXIOIL-UPJWGTAASA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048779584 756968085 /nfs/dbraw/zinc/96/80/85/756968085.db2.gz XUOWETHPHUIURN-FPMFFAJLSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001076752331 756989921 /nfs/dbraw/zinc/98/99/21/756989921.db2.gz HZPFDWQCDDMZNM-HRCADAONSA-N 1 1 337.464 0.768 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001048813121 757075950 /nfs/dbraw/zinc/07/59/50/757075950.db2.gz FUERQYZDQJXOEC-ZACQAIPSSA-N 1 1 329.444 0.706 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001048813312 757077437 /nfs/dbraw/zinc/07/74/37/757077437.db2.gz MDEGTVNXDSPBSD-XHSDSOJGSA-N 1 1 325.416 0.569 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3ccc(=O)n(C)c3=O)CCC[C@@H]12 ZINC000990970544 757100036 /nfs/dbraw/zinc/10/00/36/757100036.db2.gz AGEHHSYUUDORNQ-KDOFPFPSSA-N 1 1 346.431 0.236 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCc1cn(C2C[NH+]([C@H](C)COC)C2)nn1 ZINC001107163815 757196873 /nfs/dbraw/zinc/19/68/73/757196873.db2.gz CATWIAOSFAXNNX-MLGOLLRUSA-N 1 1 337.424 0.113 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3[nH]c(C)c(C(N)=O)c3CC)C[C@H]2C1 ZINC001048862686 757214490 /nfs/dbraw/zinc/21/44/90/757214490.db2.gz ZKLPMMAZLYUDIP-BETUJISGSA-N 1 1 328.416 0.621 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048864893 757223383 /nfs/dbraw/zinc/22/33/83/757223383.db2.gz OYXKMHZMBATYDL-OWCLPIDISA-N 1 1 342.443 0.957 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC001048869404 757235633 /nfs/dbraw/zinc/23/56/33/757235633.db2.gz WJQWODMAFHVADA-YRXWBPOGSA-N 1 1 345.487 0.901 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2C1 ZINC001048870185 757238127 /nfs/dbraw/zinc/23/81/27/757238127.db2.gz RYWZEAAQGYZJBS-BBWFWOEESA-N 1 1 342.443 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cnon3)C[C@H]2C1 ZINC001048870357 757238623 /nfs/dbraw/zinc/23/86/23/757238623.db2.gz ZDQVUZAPXNUELT-LZWOXQAQSA-N 1 1 329.404 0.057 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cnon3)C[C@H]2C1 ZINC001048870357 757238632 /nfs/dbraw/zinc/23/86/32/757238632.db2.gz ZDQVUZAPXNUELT-LZWOXQAQSA-N 1 1 329.404 0.057 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001048874138 757252322 /nfs/dbraw/zinc/25/23/22/757252322.db2.gz STXJCURONFZCAG-HOTGVXAUSA-N 1 1 346.431 0.415 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 ZINC001107179807 757296712 /nfs/dbraw/zinc/29/67/12/757296712.db2.gz SFGWBZKQURPBEP-HNNXBMFYSA-N 1 1 345.451 0.537 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001051637999 762540375 /nfs/dbraw/zinc/54/03/75/762540375.db2.gz PDOCDSMEGZLABH-GFCCVEGCSA-N 1 1 341.843 0.911 20 30 ECEDMO C#CCC1(C(=O)NCc2cn(C3C[NH+](C[C@@H](C)O)C3)nn2)CCC1 ZINC001107178395 757334739 /nfs/dbraw/zinc/33/47/39/757334739.db2.gz VULJZZOHOJIGKH-CYBMUJFWSA-N 1 1 331.420 0.325 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]2C1 ZINC001048902807 757348832 /nfs/dbraw/zinc/34/88/32/757348832.db2.gz GOTFSWMROOKQFZ-GASCZTMLSA-N 1 1 326.462 0.778 20 30 ECEDMO C#CCC1(C(=O)NCc2cn(C3C[NH+](CCCO)C3)nn2)CCC1 ZINC001107179141 757356001 /nfs/dbraw/zinc/35/60/01/757356001.db2.gz CPDKFYZMGJGUBR-UHFFFAOYSA-N 1 1 331.420 0.327 20 30 ECEDMO C#Cc1cncc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)c1 ZINC001021373535 757362012 /nfs/dbraw/zinc/36/20/12/757362012.db2.gz DEILZLOIWHORTL-RJPYNODJSA-N 1 1 326.400 0.662 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000996332293 757396824 /nfs/dbraw/zinc/39/68/24/757396824.db2.gz YASPMNTWOCKYTD-ILXRZTDVSA-N 1 1 333.436 0.733 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)c1 ZINC001076855846 757397569 /nfs/dbraw/zinc/39/75/69/757397569.db2.gz POKBCPCVNXGYKH-ZIAGYGMSSA-N 1 1 331.401 0.360 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)c1 ZINC001076855846 757397581 /nfs/dbraw/zinc/39/75/81/757397581.db2.gz POKBCPCVNXGYKH-ZIAGYGMSSA-N 1 1 331.401 0.360 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCCCNC(N)=O)nn2)C1 ZINC001107184323 757415222 /nfs/dbraw/zinc/41/52/22/757415222.db2.gz JHYLQBBHSKDLJL-UHFFFAOYSA-N 1 1 349.439 0.166 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001021426576 757427958 /nfs/dbraw/zinc/42/79/58/757427958.db2.gz UQIRASCVBGYMGZ-APHBMKBZSA-N 1 1 341.415 0.653 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@H]2C1 ZINC001048926834 757432485 /nfs/dbraw/zinc/43/24/85/757432485.db2.gz PMDZAAMERGTVJD-GASCZTMLSA-N 1 1 346.431 0.470 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nncn4CC3)C[C@H]2C1 ZINC001048946544 757488256 /nfs/dbraw/zinc/48/82/56/757488256.db2.gz UAVFXOGNZXTRQZ-OAGGEKHMSA-N 1 1 327.432 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=C(C)OCCC2)CC1 ZINC001011314304 757488808 /nfs/dbraw/zinc/48/88/08/757488808.db2.gz VIZXSJUWOBEUFU-KRWDZBQOSA-N 1 1 345.443 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=C(C)OCCC2)CC1 ZINC001011314304 757488814 /nfs/dbraw/zinc/48/88/14/757488814.db2.gz VIZXSJUWOBEUFU-KRWDZBQOSA-N 1 1 345.443 0.839 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCCS3(=O)=O)C[C@H]2C1 ZINC001048959532 757518851 /nfs/dbraw/zinc/51/88/51/757518851.db2.gz KSUYTAAUIKRSSH-ZNMIVQPWSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nncn3C)C(C)(C)C2)nn1 ZINC000996390365 757522559 /nfs/dbraw/zinc/52/25/59/757522559.db2.gz SWCODLRXWWXVSF-CYBMUJFWSA-N 1 1 344.423 0.233 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@H]2C1 ZINC001048960851 757524217 /nfs/dbraw/zinc/52/42/17/757524217.db2.gz OTFOTAOIEPOHGX-ZNMIVQPWSA-N 1 1 341.402 0.366 20 30 ECEDMO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001076906116 757558705 /nfs/dbraw/zinc/55/87/05/757558705.db2.gz NTUCUFKUMKSOOJ-ZIAGYGMSSA-N 1 1 345.428 0.935 20 30 ECEDMO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001076906116 757558709 /nfs/dbraw/zinc/55/87/09/757558709.db2.gz NTUCUFKUMKSOOJ-ZIAGYGMSSA-N 1 1 345.428 0.935 20 30 ECEDMO CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001076906157 757559325 /nfs/dbraw/zinc/55/93/25/757559325.db2.gz PEYFUJKYEAIZFC-RRFJBIMHSA-N 1 1 332.404 0.476 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001048984423 757610279 /nfs/dbraw/zinc/61/02/79/757610279.db2.gz JQKSJKFXZYRFTM-ILXRZTDVSA-N 1 1 346.431 0.757 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3OCCCO3)C2)c1 ZINC001076922706 757622667 /nfs/dbraw/zinc/62/26/67/757622667.db2.gz KMDAYJPQUUDEOP-HZPDHXFCSA-N 1 1 345.399 0.373 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3OCCCO3)C2)c1 ZINC001076922706 757622671 /nfs/dbraw/zinc/62/26/71/757622671.db2.gz KMDAYJPQUUDEOP-HZPDHXFCSA-N 1 1 345.399 0.373 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001011403965 757636900 /nfs/dbraw/zinc/63/69/00/757636900.db2.gz CHLGCZYRKNIMRV-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(CCOC)nn2)C1 ZINC001021583869 757639260 /nfs/dbraw/zinc/63/92/60/757639260.db2.gz IJJHRVOHJTWZLA-GOEBONIOSA-N 1 1 331.420 0.484 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]21 ZINC001021585936 757643394 /nfs/dbraw/zinc/64/33/94/757643394.db2.gz XVVASZDASYFQNZ-SJORKVTESA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001021592189 757655971 /nfs/dbraw/zinc/65/59/71/757655971.db2.gz PTLAYCDYCAPENE-UONOGXRCSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001021612275 757685019 /nfs/dbraw/zinc/68/50/19/757685019.db2.gz XPSIJOJKSQVUBT-LSDHHAIUSA-N 1 1 328.416 0.946 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCCNC2=O)C1 ZINC001021623745 757703147 /nfs/dbraw/zinc/70/31/47/757703147.db2.gz LFZNTQNTYRZEKC-HZPDHXFCSA-N 1 1 332.448 0.738 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 ZINC001021627875 757708001 /nfs/dbraw/zinc/70/80/01/757708001.db2.gz QKIKOIXTPQBLBI-CVEARBPZSA-N 1 1 345.443 0.862 20 30 ECEDMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001049020068 757714774 /nfs/dbraw/zinc/71/47/74/757714774.db2.gz XAVWQWJQFGPLOU-BBWFWOEESA-N 1 1 338.411 0.110 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001021634777 757717613 /nfs/dbraw/zinc/71/76/13/757717613.db2.gz FBOWCHAXCOJSIA-XJKSGUPXSA-N 1 1 338.415 0.923 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)cc1 ZINC001021660463 757748117 /nfs/dbraw/zinc/74/81/17/757748117.db2.gz AMQAIYWJWYHULG-CVEARBPZSA-N 1 1 326.400 0.856 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049035603 757753043 /nfs/dbraw/zinc/75/30/43/757753043.db2.gz LXMCIBOPWFXXFI-MOROJQBDSA-N 1 1 333.432 0.784 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)c1 ZINC001049047231 757772758 /nfs/dbraw/zinc/77/27/58/757772758.db2.gz BJHRDSHTECAYRH-BBWFWOEESA-N 1 1 338.411 0.345 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccncc3C)C2)C1=O ZINC001014383265 762575612 /nfs/dbraw/zinc/57/56/12/762575612.db2.gz ZAPBXXCAQAQMLG-GOEBONIOSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccncc3C)C2)C1=O ZINC001014383265 762575616 /nfs/dbraw/zinc/57/56/16/762575616.db2.gz ZAPBXXCAQAQMLG-GOEBONIOSA-N 1 1 328.416 0.981 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cn(C2C[NH+](CCC)C2)nn1 ZINC001107216008 757796447 /nfs/dbraw/zinc/79/64/47/757796447.db2.gz SGBZXRXBWKQRMT-MRXNPFEDSA-N 1 1 348.451 0.632 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021724401 757864777 /nfs/dbraw/zinc/86/47/77/757864777.db2.gz LLWKIXCBYGZVPF-LSDHHAIUSA-N 1 1 333.436 0.389 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001021730729 757874323 /nfs/dbraw/zinc/87/43/23/757874323.db2.gz PXRWJLMSZMGYAZ-CABCVRRESA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C(N)=O)n2)C1 ZINC001021743876 757893174 /nfs/dbraw/zinc/89/31/74/757893174.db2.gz SECCDLHTCUQMJW-CZUORRHYSA-N 1 1 326.400 0.740 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)[C@@H](O)C1 ZINC001083559758 757946244 /nfs/dbraw/zinc/94/62/44/757946244.db2.gz BBCNQUYHJZNMNO-NXHRZFHOSA-N 1 1 327.428 0.698 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)[C@@H](O)C1 ZINC001083559758 757946251 /nfs/dbraw/zinc/94/62/51/757946251.db2.gz BBCNQUYHJZNMNO-NXHRZFHOSA-N 1 1 327.428 0.698 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4conc4C)C[C@@H]3C2)nn1 ZINC001049103819 757966131 /nfs/dbraw/zinc/96/61/31/757966131.db2.gz XHCFOQCDWDPSEF-OKILXGFUSA-N 1 1 342.403 0.965 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001077027131 757982550 /nfs/dbraw/zinc/98/25/50/757982550.db2.gz CQZSJJSLGCORES-OWCLPIDISA-N 1 1 333.436 0.527 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)CC[N@H+]1C ZINC001077023524 757996370 /nfs/dbraw/zinc/99/63/70/757996370.db2.gz FBMPWTQONKXCGT-BNEJOLLZSA-N 1 1 342.443 0.560 20 30 ECEDMO C=C(Cl)CN1CC(n2cc(CNC(=O)C[N@H+](C)C(C)C)nn2)C1 ZINC001107238823 758033868 /nfs/dbraw/zinc/03/38/68/758033868.db2.gz RPKWIXLCWHXISO-UHFFFAOYSA-N 1 1 340.859 0.844 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001077046398 758047416 /nfs/dbraw/zinc/04/74/16/758047416.db2.gz PDKBEXTWSMZLMT-ARFHVFGLSA-N 1 1 335.448 0.372 20 30 ECEDMO N#Cc1ccc(NC/C=C\CNC(=O)CC[NH+]2CCOCC2)nn1 ZINC001107253735 758051711 /nfs/dbraw/zinc/05/17/11/758051711.db2.gz JFMZWOCHQASHIX-UPHRSURJSA-N 1 1 330.392 0.155 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001077084503 758118267 /nfs/dbraw/zinc/11/82/67/758118267.db2.gz SIAHKGIYBRWFHC-FVQBIDKESA-N 1 1 337.464 0.761 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccn[nH]3)CCC[C@@H]12 ZINC001107283848 758189553 /nfs/dbraw/zinc/18/95/53/758189553.db2.gz OAIULSBWCQZBLW-RHSMWYFYSA-N 1 1 329.404 0.134 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCCO3)CCC[C@@H]12 ZINC001107300249 758201386 /nfs/dbraw/zinc/20/13/86/758201386.db2.gz QZYCZZIZQIFGJE-IIDMSEBBSA-N 1 1 348.447 0.556 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nc(C)n(C)c1=O ZINC001089895634 758232043 /nfs/dbraw/zinc/23/20/43/758232043.db2.gz FXWUWAYUTZPAOO-FZKCQIBNSA-N 1 1 345.447 0.245 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H]1COC(=O)C1 ZINC001077123911 758251456 /nfs/dbraw/zinc/25/14/56/758251456.db2.gz FUEVPZYIASUKJA-ZNMIVQPWSA-N 1 1 349.431 0.048 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H]1COC(=O)C1 ZINC001077123911 758251469 /nfs/dbraw/zinc/25/14/69/758251469.db2.gz FUEVPZYIASUKJA-ZNMIVQPWSA-N 1 1 349.431 0.048 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCOC3)CCC[C@@H]12 ZINC001107318291 758256493 /nfs/dbraw/zinc/25/64/93/758256493.db2.gz LQQHANVGVSKBTP-HDMKZQKVSA-N 1 1 335.448 0.686 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H]1CCCO1 ZINC001077124104 758257333 /nfs/dbraw/zinc/25/73/33/758257333.db2.gz MJBOGENPMJBYLD-XHSDSOJGSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H]1CCCO1 ZINC001077124104 758257344 /nfs/dbraw/zinc/25/73/44/758257344.db2.gz MJBOGENPMJBYLD-XHSDSOJGSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCOCC)CCC[C@@H]12 ZINC001107327808 758295416 /nfs/dbraw/zinc/29/54/16/758295416.db2.gz IUIPLZWEUGLBFA-CRAIPNDOSA-N 1 1 335.448 0.523 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2cnn(C)c2)C1=O ZINC001032309836 758334527 /nfs/dbraw/zinc/33/45/27/758334527.db2.gz AMLVQSAZSXLOEJ-JYJNAYRXSA-N 1 1 343.431 0.035 20 30 ECEDMO Cn1cnc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)c1 ZINC001107357027 758382852 /nfs/dbraw/zinc/38/28/52/758382852.db2.gz UHKBELNTYOVURE-RHSMWYFYSA-N 1 1 344.419 0.034 20 30 ECEDMO C=CCOc1ccc(CC(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)cc1 ZINC001049239763 758413230 /nfs/dbraw/zinc/41/32/30/758413230.db2.gz IPEBRCLHEMVZKS-IYBDPMFKSA-N 1 1 343.427 0.669 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(OC)ccc2OC)C1 ZINC001077171516 758424787 /nfs/dbraw/zinc/42/47/87/758424787.db2.gz GRZLZPMTDSDCJF-HZPDHXFCSA-N 1 1 332.400 0.431 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001049249574 758434501 /nfs/dbraw/zinc/43/45/01/758434501.db2.gz JKYRIQRHDSANAK-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2csnn2)C1 ZINC001022220725 758441711 /nfs/dbraw/zinc/44/17/11/758441711.db2.gz LRWSXLWXXJQGDH-XPCVCDNBSA-N 1 1 333.461 0.934 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2csnn2)C1 ZINC001022220725 758441716 /nfs/dbraw/zinc/44/17/16/758441716.db2.gz LRWSXLWXXJQGDH-XPCVCDNBSA-N 1 1 333.461 0.934 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H](C)c2nnc(C)o2)C1 ZINC001022221217 758443401 /nfs/dbraw/zinc/44/34/01/758443401.db2.gz AKZHGWJMRIKQTN-RZFFKMDDSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H](C)c2nnc(C)o2)C1 ZINC001022221217 758443407 /nfs/dbraw/zinc/44/34/07/758443407.db2.gz AKZHGWJMRIKQTN-RZFFKMDDSA-N 1 1 331.420 0.773 20 30 ECEDMO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107393620 758451080 /nfs/dbraw/zinc/45/10/80/758451080.db2.gz LZADSHCXRMKYAI-CXAGYDPISA-N 1 1 334.420 0.202 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC/C=C/CNc2cncc(C#N)n2)no1 ZINC001107402006 758471779 /nfs/dbraw/zinc/47/17/79/758471779.db2.gz ALFAIKQOFXWVJT-ONEGZZNKSA-N 1 1 341.375 0.796 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCCC)CC2 ZINC001107401804 758472074 /nfs/dbraw/zinc/47/20/74/758472074.db2.gz DDCIJQYVLNWQSB-GPMSIDNRSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107403174 758473609 /nfs/dbraw/zinc/47/36/09/758473609.db2.gz YEMTZGIMARXUFU-LZLYRXPVSA-N 1 1 338.448 0.394 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1C)CC2 ZINC001107404660 758482214 /nfs/dbraw/zinc/48/22/14/758482214.db2.gz HROGYIUIFMNMAG-CRAIPNDOSA-N 1 1 345.447 0.716 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1C)CC2 ZINC001107404660 758482221 /nfs/dbraw/zinc/48/22/21/758482221.db2.gz HROGYIUIFMNMAG-CRAIPNDOSA-N 1 1 345.447 0.716 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnon1)CC2 ZINC001107404743 758482535 /nfs/dbraw/zinc/48/25/35/758482535.db2.gz LIOZQVKIPHIIAS-NVXWUHKLSA-N 1 1 332.404 0.970 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnon1)CC2 ZINC001107404743 758482537 /nfs/dbraw/zinc/48/25/37/758482537.db2.gz LIOZQVKIPHIIAS-NVXWUHKLSA-N 1 1 332.404 0.970 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001077195552 758482801 /nfs/dbraw/zinc/48/28/01/758482801.db2.gz COALWACFUTTYPC-HUUCEWRRSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001077195552 758482804 /nfs/dbraw/zinc/48/28/04/758482804.db2.gz COALWACFUTTYPC-HUUCEWRRSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)NS(=O)(=O)CC)CCC[C@@H]12 ZINC001107414725 758531136 /nfs/dbraw/zinc/53/11/36/758531136.db2.gz RFHLJJRLDLHSJY-SQWLQELKSA-N 1 1 341.477 0.308 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)C(=O)NCC(F)F)CCC[C@@H]12 ZINC001107458679 758592824 /nfs/dbraw/zinc/59/28/24/758592824.db2.gz GMOXRYJZYQXZNC-MLGOLLRUSA-N 1 1 327.375 0.752 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)CC(N)=O)c1 ZINC001049382428 758604493 /nfs/dbraw/zinc/60/44/93/758604493.db2.gz ONDABUPVIGGAOK-CVEARBPZSA-N 1 1 326.400 0.999 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnn(C)c1OC ZINC001089896012 758614979 /nfs/dbraw/zinc/61/49/79/758614979.db2.gz JDPCDUZJVSHSRX-HNKHHVNMSA-N 1 1 328.416 0.844 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001077261701 758622955 /nfs/dbraw/zinc/62/29/55/758622955.db2.gz GEUJDNGLSXCDHV-HUUCEWRRSA-N 1 1 328.372 0.686 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001077261701 758622960 /nfs/dbraw/zinc/62/29/60/758622960.db2.gz GEUJDNGLSXCDHV-HUUCEWRRSA-N 1 1 328.372 0.686 20 30 ECEDMO Cc1cc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001051668818 762644719 /nfs/dbraw/zinc/64/47/19/762644719.db2.gz HROXTQRIAXZQNP-HIFRSBDPSA-N 1 1 340.387 0.663 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)NC2CC2)c1 ZINC001049401127 758633824 /nfs/dbraw/zinc/63/38/24/758633824.db2.gz LTANBBXRHMHQKV-HZPDHXFCSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)NC2CC2)c1 ZINC001049401127 758633830 /nfs/dbraw/zinc/63/38/30/758633830.db2.gz LTANBBXRHMHQKV-HZPDHXFCSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)N2CCC2)[nH]1 ZINC001049424821 758668534 /nfs/dbraw/zinc/66/85/34/758668534.db2.gz HTXNWEKDHYNBQO-HOTGVXAUSA-N 1 1 341.415 0.798 20 30 ECEDMO CN(C(=O)CC[NH+]1CCOCC1)C1CC(Nc2ccc(C#N)nn2)C1 ZINC001126971949 758848815 /nfs/dbraw/zinc/84/88/15/758848815.db2.gz FJBWVAKXRSMRHV-UHFFFAOYSA-N 1 1 344.419 0.472 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001049543123 758898364 /nfs/dbraw/zinc/89/83/64/758898364.db2.gz UEAVAYDOXBFABO-JYJNAYRXSA-N 1 1 339.480 0.961 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001049549529 758909907 /nfs/dbraw/zinc/90/99/07/758909907.db2.gz XUMVKXDKSOLCCN-GJZGRUSLSA-N 1 1 325.453 0.715 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049553724 758915531 /nfs/dbraw/zinc/91/55/31/758915531.db2.gz WEDBSQZYBJANMW-HZPDHXFCSA-N 1 1 326.400 0.422 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049594926 758973832 /nfs/dbraw/zinc/97/38/32/758973832.db2.gz MXSUQMZEORILGA-NCOADZHNSA-N 1 1 347.459 0.888 20 30 ECEDMO C#CCCCCC(=O)N[C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001077394406 758982190 /nfs/dbraw/zinc/98/21/90/758982190.db2.gz ONWBAYINYJWVAZ-INIZCTEOSA-N 1 1 337.464 0.913 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049613071 758992680 /nfs/dbraw/zinc/99/26/80/758992680.db2.gz PKVWKJITORGNCU-LSDHHAIUSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001049613704 758994112 /nfs/dbraw/zinc/99/41/12/758994112.db2.gz SZCHWWJNNFXPJI-OWCLPIDISA-N 1 1 327.432 0.847 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)c1 ZINC001022685144 758997444 /nfs/dbraw/zinc/99/74/44/758997444.db2.gz HKFONGUDJSBMNO-OKILXGFUSA-N 1 1 340.387 0.563 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(CC)nc2C)C1 ZINC001077411688 759024807 /nfs/dbraw/zinc/02/48/07/759024807.db2.gz ABBIYEWXHMPXMO-HZPDHXFCSA-N 1 1 330.432 0.383 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(CC)nc2C)C1 ZINC001077411688 759024816 /nfs/dbraw/zinc/02/48/16/759024816.db2.gz ABBIYEWXHMPXMO-HZPDHXFCSA-N 1 1 330.432 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)COC ZINC000991052614 759087224 /nfs/dbraw/zinc/08/72/24/759087224.db2.gz MAOBWRHSRNWAMO-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)COC ZINC000991052614 759087235 /nfs/dbraw/zinc/08/72/35/759087235.db2.gz MAOBWRHSRNWAMO-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)cc1F ZINC001049692182 759106971 /nfs/dbraw/zinc/10/69/71/759106971.db2.gz QSSUKJCQZHPOPV-LSDHHAIUSA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)cc1F ZINC001049692182 759106974 /nfs/dbraw/zinc/10/69/74/759106974.db2.gz QSSUKJCQZHPOPV-LSDHHAIUSA-N 1 1 330.363 0.748 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)cc1 ZINC001049693409 759107122 /nfs/dbraw/zinc/10/71/22/759107122.db2.gz YNANOKWWALDDPG-JKSUJKDBSA-N 1 1 342.399 0.640 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)cc1F ZINC001049692177 759107188 /nfs/dbraw/zinc/10/71/88/759107188.db2.gz QSSUKJCQZHPOPV-CABCVRRESA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)cc1F ZINC001049692177 759107193 /nfs/dbraw/zinc/10/71/93/759107193.db2.gz QSSUKJCQZHPOPV-CABCVRRESA-N 1 1 330.363 0.748 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049725156 759136033 /nfs/dbraw/zinc/13/60/33/759136033.db2.gz VISASYOXZDHUMB-ZOBORPQBSA-N 1 1 341.839 0.837 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049725156 759136037 /nfs/dbraw/zinc/13/60/37/759136037.db2.gz VISASYOXZDHUMB-ZOBORPQBSA-N 1 1 341.839 0.837 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001049740190 759154482 /nfs/dbraw/zinc/15/44/82/759154482.db2.gz UEOQKVXAHJXFEL-RRFJBIMHSA-N 1 1 328.420 0.324 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049751738 759167404 /nfs/dbraw/zinc/16/74/04/759167404.db2.gz COUOOKPXZWZLBF-BFHYXJOUSA-N 1 1 334.420 0.616 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncn2nccc2c1=O ZINC001049768629 759182847 /nfs/dbraw/zinc/18/28/47/759182847.db2.gz KWVGXCMUHIOHTQ-KGLIPLIRSA-N 1 1 342.403 0.142 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(N)=O)nn1 ZINC001049778348 759193175 /nfs/dbraw/zinc/19/31/75/759193175.db2.gz VMCRFFYMULVOPN-ZIAGYGMSSA-N 1 1 332.408 0.018 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(N)=O)nn1 ZINC001049778348 759193179 /nfs/dbraw/zinc/19/31/79/759193179.db2.gz VMCRFFYMULVOPN-ZIAGYGMSSA-N 1 1 332.408 0.018 20 30 ECEDMO C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001049781218 759197735 /nfs/dbraw/zinc/19/77/35/759197735.db2.gz KZPHIFDTNUTHGX-SJORKVTESA-N 1 1 329.448 0.757 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049785324 759203643 /nfs/dbraw/zinc/20/36/43/759203643.db2.gz YLVYXEXBAWUUKV-STQMWFEESA-N 1 1 339.823 0.857 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049785324 759203650 /nfs/dbraw/zinc/20/36/50/759203650.db2.gz YLVYXEXBAWUUKV-STQMWFEESA-N 1 1 339.823 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001049785582 759203890 /nfs/dbraw/zinc/20/38/90/759203890.db2.gz ZKENLSDOCPSHGI-UONOGXRCSA-N 1 1 325.372 0.747 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2sccc2-n2cnnn2)[C@@H](O)C1 ZINC001083600616 759236586 /nfs/dbraw/zinc/23/65/86/759236586.db2.gz DJULUNCFGMPCKR-PWSUYJOCSA-N 1 1 334.405 0.075 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2sccc2-n2cnnn2)[C@@H](O)C1 ZINC001083600616 759236591 /nfs/dbraw/zinc/23/65/91/759236591.db2.gz DJULUNCFGMPCKR-PWSUYJOCSA-N 1 1 334.405 0.075 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049813079 759245497 /nfs/dbraw/zinc/24/54/97/759245497.db2.gz XDAJNMRSDJWRPM-HUUCEWRRSA-N 1 1 344.415 0.827 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cnccc1=O ZINC001049817601 759250579 /nfs/dbraw/zinc/25/05/79/759250579.db2.gz LXYSEGDHXKNKHX-CVEARBPZSA-N 1 1 328.416 0.722 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 ZINC001083604130 759253343 /nfs/dbraw/zinc/25/33/43/759253343.db2.gz HIKANDUFTMDKGH-KGLIPLIRSA-N 1 1 330.388 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn([C@H]2CCOC2)nn1 ZINC001049833048 759269891 /nfs/dbraw/zinc/26/98/91/759269891.db2.gz ATDAKPAMCGKDJK-CWRNSKLLSA-N 1 1 329.404 0.552 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)NC)cn1 ZINC001049854018 759305355 /nfs/dbraw/zinc/30/53/55/759305355.db2.gz IORGLXOXEYGMER-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)NC)cn1 ZINC001049854018 759305366 /nfs/dbraw/zinc/30/53/66/759305366.db2.gz IORGLXOXEYGMER-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)NC)cn1 ZINC001049854016 759306479 /nfs/dbraw/zinc/30/64/79/759306479.db2.gz IORGLXOXEYGMER-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)NC)cn1 ZINC001049854016 759306488 /nfs/dbraw/zinc/30/64/88/759306488.db2.gz IORGLXOXEYGMER-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCCOc1ccc(C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)cc1 ZINC001127015109 759311886 /nfs/dbraw/zinc/31/18/86/759311886.db2.gz ZJKRMPVHCICWNR-ZDUSSCGKSA-N 1 1 342.403 0.693 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001049871624 759325836 /nfs/dbraw/zinc/32/58/36/759325836.db2.gz RJWSTCQDLGIURK-GVDBMIGSSA-N 1 1 335.448 0.875 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001054239868 767851593 /nfs/dbraw/zinc/85/15/93/767851593.db2.gz VSXHTSIQVVAFTR-SFHVURJKSA-N 1 1 344.415 0.437 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001047634541 759359383 /nfs/dbraw/zinc/35/93/83/759359383.db2.gz KHOSRUMCHSPRSE-KBPBESRZSA-N 1 1 333.436 0.315 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1nc2ncccn2n1 ZINC001049891063 759359377 /nfs/dbraw/zinc/35/93/77/759359377.db2.gz QJTYIMOUWVKOEU-KGLIPLIRSA-N 1 1 326.404 0.918 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC001047635204 759360861 /nfs/dbraw/zinc/36/08/61/759360861.db2.gz UVSDXNLDGYSZIQ-ULQDDVLXSA-N 1 1 337.464 0.177 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001047635480 759362569 /nfs/dbraw/zinc/36/25/69/759362569.db2.gz GCJYQIVQNHMYLP-GJZGRUSLSA-N 1 1 332.400 0.763 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001047635480 759362586 /nfs/dbraw/zinc/36/25/86/759362586.db2.gz GCJYQIVQNHMYLP-GJZGRUSLSA-N 1 1 332.400 0.763 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)CN1CCOCC1)C2 ZINC001054240903 767853421 /nfs/dbraw/zinc/85/34/21/767853421.db2.gz FYBHHYBHLWASRG-MJGOQNOKSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)CN1CCOCC1)C2 ZINC001054240903 767853428 /nfs/dbraw/zinc/85/34/28/767853428.db2.gz FYBHHYBHLWASRG-MJGOQNOKSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047636035 759366326 /nfs/dbraw/zinc/36/63/26/759366326.db2.gz KVDUFQQESUAQTO-JYJNAYRXSA-N 1 1 335.448 0.162 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047636035 759366338 /nfs/dbraw/zinc/36/63/38/759366338.db2.gz KVDUFQQESUAQTO-JYJNAYRXSA-N 1 1 335.448 0.162 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047638865 759376046 /nfs/dbraw/zinc/37/60/46/759376046.db2.gz JTWKJSBENAARLW-JYJNAYRXSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047638865 759376060 /nfs/dbraw/zinc/37/60/60/759376060.db2.gz JTWKJSBENAARLW-JYJNAYRXSA-N 1 1 335.448 0.160 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001047640551 759382744 /nfs/dbraw/zinc/38/27/44/759382744.db2.gz SHTHDSVLUPZVEE-HOTGVXAUSA-N 1 1 343.431 0.970 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1COCCN1C(C)=O ZINC001049904173 759385557 /nfs/dbraw/zinc/38/55/57/759385557.db2.gz NDIDMVDXFIOWMO-GVDBMIGSSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1COCCN1C(C)=O ZINC001049905996 759389380 /nfs/dbraw/zinc/38/93/80/759389380.db2.gz CBDWRFLIOFJOAQ-BRWVUGGUSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccnc1C(N)=O ZINC001049910520 759394271 /nfs/dbraw/zinc/39/42/71/759394271.db2.gz VJCXCUQNYQRSAE-LSDHHAIUSA-N 1 1 326.400 0.883 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C(C)(C)C)nc2)C1 ZINC001047647831 759404323 /nfs/dbraw/zinc/40/43/23/759404323.db2.gz JVQDCRCCNJYCNY-GJZGRUSLSA-N 1 1 330.432 0.915 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C(C)(C)C)nc2)C1 ZINC001047647831 759404331 /nfs/dbraw/zinc/40/43/31/759404331.db2.gz JVQDCRCCNJYCNY-GJZGRUSLSA-N 1 1 330.432 0.915 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001054242065 767857514 /nfs/dbraw/zinc/85/75/14/767857514.db2.gz DWDCVFIEBMYCJD-GOEBONIOSA-N 1 1 341.477 0.569 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cn[nH]c4)[C@@H]3C2)C1=O ZINC001049985958 759498446 /nfs/dbraw/zinc/49/84/46/759498446.db2.gz VWFFEFUOQVPATB-CWRNSKLLSA-N 1 1 343.431 0.733 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001049996361 759519161 /nfs/dbraw/zinc/51/91/61/759519161.db2.gz XXKIHRZAVILFFA-MELADBBJSA-N 1 1 332.404 0.218 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001101161936 759574274 /nfs/dbraw/zinc/57/42/74/759574274.db2.gz WZPONECHUAMCHZ-RKVPGOIHSA-N 1 1 337.464 0.836 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC001127027068 759575030 /nfs/dbraw/zinc/57/50/30/759575030.db2.gz HAVBZMBHHDIWFF-CQSZACIVSA-N 1 1 342.403 0.469 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3nnn(C(C)(C)C)n3)[C@@H]2C1 ZINC001050055087 759625376 /nfs/dbraw/zinc/62/53/76/759625376.db2.gz BQSAHZLIYCTCEA-LSDHHAIUSA-N 1 1 344.463 0.917 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3COCCN3C)cc2C1 ZINC001054261655 767878818 /nfs/dbraw/zinc/87/88/18/767878818.db2.gz NDGLLNLLNQXIGS-SFHVURJKSA-N 1 1 327.428 0.972 20 30 ECEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3COCCN3C)cc2C1 ZINC001054261655 767878825 /nfs/dbraw/zinc/87/88/25/767878825.db2.gz NDGLLNLLNQXIGS-SFHVURJKSA-N 1 1 327.428 0.972 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC001050081907 759670753 /nfs/dbraw/zinc/67/07/53/759670753.db2.gz XRFUPQJWFBWRKJ-WCQYABFASA-N 1 1 339.417 0.649 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC001050102049 759704240 /nfs/dbraw/zinc/70/42/40/759704240.db2.gz IPTISVWNBLUNLW-CWRNSKLLSA-N 1 1 343.431 0.864 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)[C@H](C)NC(=O)CC)CC2)C1 ZINC001105709739 759856726 /nfs/dbraw/zinc/85/67/26/759856726.db2.gz UNCGJPBQBDSARI-AWEZNQCLSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 ZINC001050178027 759873254 /nfs/dbraw/zinc/87/32/54/759873254.db2.gz VVEACAFHNPDMGW-QWHCGFSZSA-N 1 1 334.420 0.426 20 30 ECEDMO Cc1ccc(C#N)c(NC/C=C/CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001107094076 759900628 /nfs/dbraw/zinc/90/06/28/759900628.db2.gz SLLZKSUELXZPQL-NHZBNJEXSA-N 1 1 329.404 0.677 20 30 ECEDMO Cc1ccc(C#N)c(NC/C=C/CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001107094076 759900632 /nfs/dbraw/zinc/90/06/32/759900632.db2.gz SLLZKSUELXZPQL-NHZBNJEXSA-N 1 1 329.404 0.677 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1 ZINC001050202188 759929147 /nfs/dbraw/zinc/92/91/47/759929147.db2.gz MXZGFPIJJCKSSS-UONOGXRCSA-N 1 1 326.404 0.776 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)[C@@H](O)C1 ZINC001083635953 759956391 /nfs/dbraw/zinc/95/63/91/759956391.db2.gz VRSFVYDCEUTACQ-CLWJZODNSA-N 1 1 340.423 0.911 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC001054297515 767906344 /nfs/dbraw/zinc/90/63/44/767906344.db2.gz UILPGVQUBCBARQ-IKGGRYGDSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C)OC2(CC[NH+](CC(=O)NC)CC2)C1 ZINC001111538334 760050568 /nfs/dbraw/zinc/05/05/68/760050568.db2.gz GXLWAHLYPQGYEP-CQSZACIVSA-N 1 1 339.436 0.017 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001012487673 760068083 /nfs/dbraw/zinc/06/80/83/760068083.db2.gz BSKAAFAKMGOWBH-SMDDNHRTSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CC[C@H](NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001050341175 760151113 /nfs/dbraw/zinc/15/11/13/760151113.db2.gz QPFFDZKSKOLALL-MGPQQGTHSA-N 1 1 346.435 0.470 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1c1ccnc(C#N)n1 ZINC001050455352 760290290 /nfs/dbraw/zinc/29/02/90/760290290.db2.gz WNYZKVCAYFOFBZ-MCIONIFRSA-N 1 1 328.420 0.773 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1c1ccnc(C#N)n1 ZINC001050455353 760292051 /nfs/dbraw/zinc/29/20/51/760292051.db2.gz WNYZKVCAYFOFBZ-RDBSUJKOSA-N 1 1 328.420 0.773 20 30 ECEDMO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C ZINC000995705104 760443661 /nfs/dbraw/zinc/44/36/61/760443661.db2.gz ILUWPWXMPLYYQI-CYBMUJFWSA-N 1 1 327.392 0.655 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2cccn2)C1=O ZINC001032285867 760518230 /nfs/dbraw/zinc/51/82/30/760518230.db2.gz SZCVYKWADDNINV-HRCADAONSA-N 1 1 343.431 0.345 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC001127056758 760550802 /nfs/dbraw/zinc/55/08/02/760550802.db2.gz IOZGOHVNLVKMAJ-AWEZNQCLSA-N 1 1 327.388 0.511 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)C1=O ZINC001030024861 760639261 /nfs/dbraw/zinc/63/92/61/760639261.db2.gz IXXQZJIJIHXSFU-KFWWJZLASA-N 1 1 348.447 0.023 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)C1=O ZINC001030024861 760639266 /nfs/dbraw/zinc/63/92/66/760639266.db2.gz IXXQZJIJIHXSFU-KFWWJZLASA-N 1 1 348.447 0.023 20 30 ECEDMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C2 ZINC001048514787 760644291 /nfs/dbraw/zinc/64/42/91/760644291.db2.gz MQHWARPHCYHLMZ-YOWGUQMCSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCOC)C1)C2 ZINC001048532117 760672024 /nfs/dbraw/zinc/67/20/24/760672024.db2.gz RYOMYORWWKNFBV-NXOAAHMSSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC3N=NC(=O)N3C1)C2 ZINC001048540532 760684716 /nfs/dbraw/zinc/68/47/16/760684716.db2.gz RBTHVEZAGHIONY-APIJFGDWSA-N 1 1 343.431 0.539 20 30 ECEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001048562003 760720863 /nfs/dbraw/zinc/72/08/63/760720863.db2.gz HJHPPHHVIBCULN-XFIYOXNOSA-N 1 1 335.448 0.955 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](C)O)nn1 ZINC001048572941 760736679 /nfs/dbraw/zinc/73/66/79/760736679.db2.gz UQAQVFXCAUCBJS-XQLPTFJDSA-N 1 1 333.436 0.818 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001048586727 760759370 /nfs/dbraw/zinc/75/93/70/760759370.db2.gz UFGBNSGKISBOAF-XMTFNYHQSA-N 1 1 347.459 0.616 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1c1ccnc(C#N)n1 ZINC001048586709 760759788 /nfs/dbraw/zinc/75/97/88/760759788.db2.gz AGMJSEUQTSYYRM-BFHYXJOUSA-N 1 1 328.420 0.916 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C ZINC001050801485 760878842 /nfs/dbraw/zinc/87/88/42/760878842.db2.gz NWTVXGCPJKCJMK-OLZOCXBDSA-N 1 1 325.376 0.637 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001048712552 760999205 /nfs/dbraw/zinc/99/92/05/760999205.db2.gz ZBKZRQJTTUURGH-HOTGVXAUSA-N 1 1 346.431 0.415 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@@H+]2CC2CCOCC2)c1 ZINC001050869911 761042649 /nfs/dbraw/zinc/04/26/49/761042649.db2.gz YXFCJGXFQYGWKD-HNNXBMFYSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@H+]2CC2CCOCC2)c1 ZINC001050869911 761042656 /nfs/dbraw/zinc/04/26/56/761042656.db2.gz YXFCJGXFQYGWKD-HNNXBMFYSA-N 1 1 332.404 0.744 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048749717 761107328 /nfs/dbraw/zinc/10/73/28/761107328.db2.gz LSUYLRXWYLJACV-RTXFEEFZSA-N 1 1 340.391 0.175 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048749717 761107333 /nfs/dbraw/zinc/10/73/33/761107333.db2.gz LSUYLRXWYLJACV-RTXFEEFZSA-N 1 1 340.391 0.175 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cc(C)no1 ZINC001050962463 761230877 /nfs/dbraw/zinc/23/08/77/761230877.db2.gz LXEKKEULBQXLRI-WBVHZDCISA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cc(C)no1 ZINC001050962463 761230879 /nfs/dbraw/zinc/23/08/79/761230879.db2.gz LXEKKEULBQXLRI-WBVHZDCISA-N 1 1 346.431 0.398 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212148620 761253964 /nfs/dbraw/zinc/25/39/64/761253964.db2.gz OBDDLBJQDSASIT-BRWVUGGUSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2ccccn2c1=O ZINC001050987115 761279820 /nfs/dbraw/zinc/27/98/20/761279820.db2.gz PCFNANFXKLBSLT-CQSZACIVSA-N 1 1 342.399 0.701 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2ccccn2c1=O ZINC001050987115 761279825 /nfs/dbraw/zinc/27/98/25/761279825.db2.gz PCFNANFXKLBSLT-CQSZACIVSA-N 1 1 342.399 0.701 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001051011131 761331787 /nfs/dbraw/zinc/33/17/87/761331787.db2.gz HFGZFOWDPVBTLK-HUUCEWRRSA-N 1 1 338.452 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001051011131 761331795 /nfs/dbraw/zinc/33/17/95/761331795.db2.gz HFGZFOWDPVBTLK-HUUCEWRRSA-N 1 1 338.452 0.560 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001054550288 768038764 /nfs/dbraw/zinc/03/87/64/768038764.db2.gz CSEQSSOQIBMMMX-SMDDNHRTSA-N 1 1 342.407 0.704 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)n1 ZINC001054573538 768046392 /nfs/dbraw/zinc/04/63/92/768046392.db2.gz OHFBJIYREBGJLI-NHYWBVRUSA-N 1 1 327.392 0.748 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(S(N)(=O)=O)o3)CCC[C@@H]12 ZINC000991567502 761655707 /nfs/dbraw/zinc/65/57/07/761655707.db2.gz MIZJPPMTBYEDBU-DOMZBBRYSA-N 1 1 339.417 0.840 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCC(=O)N3C)cccc2C1 ZINC001051298006 761850122 /nfs/dbraw/zinc/85/01/22/761850122.db2.gz XVMMRIAMRFAWDX-KRWDZBQOSA-N 1 1 325.412 0.915 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)nn1 ZINC001054606003 768076061 /nfs/dbraw/zinc/07/60/61/768076061.db2.gz UWAGLLKUULIILR-IAQYHMDHSA-N 1 1 327.392 0.748 20 30 ECEDMO C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC000991687604 762729290 /nfs/dbraw/zinc/72/92/90/762729290.db2.gz MHQSCAMSDWDEHH-HNNXBMFYSA-N 1 1 346.435 0.279 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001105934303 762878827 /nfs/dbraw/zinc/87/88/27/762878827.db2.gz HIVSYAGGKWHUGZ-OAHLLOKOSA-N 1 1 348.451 0.749 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051752524 762879915 /nfs/dbraw/zinc/87/99/15/762879915.db2.gz LMSQGJSXWVHZCE-AWEZNQCLSA-N 1 1 348.451 0.927 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(=O)n(CCOC)n3)CCC[C@H]12 ZINC000991712593 762900574 /nfs/dbraw/zinc/90/05/74/762900574.db2.gz QHNYBDUAUFGEQM-MAUKXSAKSA-N 1 1 346.431 0.803 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991716740 762931031 /nfs/dbraw/zinc/93/10/31/762931031.db2.gz NHQXTCRCYFRLNZ-ZDUSSCGKSA-N 1 1 344.415 0.539 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001014732508 763051002 /nfs/dbraw/zinc/05/10/02/763051002.db2.gz UIJVUEXFXBOUOQ-OCCSQVGLSA-N 1 1 330.388 0.283 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001014732508 763051005 /nfs/dbraw/zinc/05/10/05/763051005.db2.gz UIJVUEXFXBOUOQ-OCCSQVGLSA-N 1 1 330.388 0.283 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001046778787 763112251 /nfs/dbraw/zinc/11/22/51/763112251.db2.gz LQBBDOFNTXZJAX-LJQANCHMSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001046778787 763112257 /nfs/dbraw/zinc/11/22/57/763112257.db2.gz LQBBDOFNTXZJAX-LJQANCHMSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC001046782574 763119309 /nfs/dbraw/zinc/11/93/09/763119309.db2.gz CPLWPXWDMCZTET-SFHVURJKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC3CC3)C2)cn1 ZINC001046782574 763119315 /nfs/dbraw/zinc/11/93/15/763119315.db2.gz CPLWPXWDMCZTET-SFHVURJKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nn(C)cc2Cl)C1 ZINC001014779283 763139013 /nfs/dbraw/zinc/13/90/13/763139013.db2.gz KHZYRQZWZWKQEV-BBRMVZONSA-N 1 1 349.866 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nn(C)cc2Cl)C1 ZINC001014779283 763139020 /nfs/dbraw/zinc/13/90/20/763139020.db2.gz KHZYRQZWZWKQEV-BBRMVZONSA-N 1 1 349.866 0.862 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001105973300 763139964 /nfs/dbraw/zinc/13/99/64/763139964.db2.gz WJUXZXUYDPZSJS-GXTWGEPZSA-N 1 1 332.408 0.110 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001105973362 763141133 /nfs/dbraw/zinc/14/11/33/763141133.db2.gz XRDAGAVSITWYRA-CABCVRRESA-N 1 1 346.435 0.419 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cnc(C)cn2)C1 ZINC001014781249 763141942 /nfs/dbraw/zinc/14/19/42/763141942.db2.gz ZSKKAFUGQFYNRD-WBVHZDCISA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cnc(C)cn2)C1 ZINC001014781249 763141946 /nfs/dbraw/zinc/14/19/46/763141946.db2.gz ZSKKAFUGQFYNRD-WBVHZDCISA-N 1 1 327.432 0.573 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCNC(=O)C2)C1 ZINC001089850881 763172669 /nfs/dbraw/zinc/17/26/69/763172669.db2.gz QYEOBWSDMAEYDW-QAETUUGQSA-N 1 1 346.475 0.163 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001054638829 768113647 /nfs/dbraw/zinc/11/36/47/768113647.db2.gz QOOCWFGFYWDUAQ-ZFWWWQNUSA-N 1 1 327.432 0.964 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccoc1CC(N)=O ZINC001089854007 763194515 /nfs/dbraw/zinc/19/45/15/763194515.db2.gz ZKLIJLOYOKGTEK-UKMLZYKCSA-N 1 1 341.411 0.723 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001046833347 763195129 /nfs/dbraw/zinc/19/51/29/763195129.db2.gz WFVIYMOTCDNNNY-KKUMJFAQSA-N 1 1 342.447 0.951 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001046849101 763227521 /nfs/dbraw/zinc/22/75/21/763227521.db2.gz BFZMJVNALMGMKH-HNAYVOBHSA-N 1 1 348.491 0.389 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001046850579 763232045 /nfs/dbraw/zinc/23/20/45/763232045.db2.gz WVDTUPUQLJRTHB-APWZRJJASA-N 1 1 346.475 0.143 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001105983066 763236505 /nfs/dbraw/zinc/23/65/05/763236505.db2.gz VJTMZWNCVOXXPE-WBVHZDCISA-N 1 1 345.447 0.527 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001089857466 763260321 /nfs/dbraw/zinc/26/03/21/763260321.db2.gz BKFJZJVNSJOGQJ-FQLMCAECSA-N 1 1 328.416 0.931 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=NC(=O)N(C)C1 ZINC001089857466 763260327 /nfs/dbraw/zinc/26/03/27/763260327.db2.gz BKFJZJVNSJOGQJ-FQLMCAECSA-N 1 1 328.416 0.931 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=NC(=O)N(C)C1 ZINC001089857466 763260335 /nfs/dbraw/zinc/26/03/35/763260335.db2.gz BKFJZJVNSJOGQJ-FQLMCAECSA-N 1 1 328.416 0.931 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3nonc3C)C2)C1=O ZINC001046876899 763284545 /nfs/dbraw/zinc/28/45/45/763284545.db2.gz KPVDGMXQAGJWBH-LRDDRELGSA-N 1 1 333.392 0.359 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3nonc3C)C2)C1=O ZINC001046876899 763284552 /nfs/dbraw/zinc/28/45/52/763284552.db2.gz KPVDGMXQAGJWBH-LRDDRELGSA-N 1 1 333.392 0.359 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccon3)C2)cn1 ZINC001051905408 763292839 /nfs/dbraw/zinc/29/28/39/763292839.db2.gz AUIBYZGAPYROOK-INIZCTEOSA-N 1 1 326.356 0.682 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncc(C)o3)C2)nc1 ZINC001051906081 763295050 /nfs/dbraw/zinc/29/50/50/763295050.db2.gz KNBPTOYWAYLRMZ-OAHLLOKOSA-N 1 1 340.383 0.990 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1=O ZINC001030439012 763298616 /nfs/dbraw/zinc/29/86/16/763298616.db2.gz ODOYCNLQQBPEKE-HUUCEWRRSA-N 1 1 343.431 0.348 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]2O)C1 ZINC000991766216 763333711 /nfs/dbraw/zinc/33/37/11/763333711.db2.gz XUFXZKOZQRCEKH-GJZGRUSLSA-N 1 1 346.431 0.777 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+](CCN3C(=O)CCC3=O)C2)cc1 ZINC001031892372 763347979 /nfs/dbraw/zinc/34/79/79/763347979.db2.gz ZEUPHDSCZMRCRA-UHFFFAOYSA-N 1 1 339.395 0.479 20 30 ECEDMO N#Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCCC3)CCO2)c1 ZINC001051932265 763372418 /nfs/dbraw/zinc/37/24/18/763372418.db2.gz MSTPLTLNMCOYEM-GOSISDBHSA-N 1 1 342.443 0.971 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046926494 763398754 /nfs/dbraw/zinc/39/87/54/763398754.db2.gz PTHCCAQOVBHXDU-KBPBESRZSA-N 1 1 329.391 0.414 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3cnc(C#N)cn3)C2)C1 ZINC001051947903 763419743 /nfs/dbraw/zinc/41/97/43/763419743.db2.gz NWMVEUQYFNURGM-SSDMNJCBSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3cnc(C#N)cn3)C2)C1 ZINC001051947903 763419749 /nfs/dbraw/zinc/41/97/49/763419749.db2.gz NWMVEUQYFNURGM-SSDMNJCBSA-N 1 1 344.419 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cccc(OC)n2)C1 ZINC001030462187 763435426 /nfs/dbraw/zinc/43/54/26/763435426.db2.gz KRSKBLUYFRDOTD-INIZCTEOSA-N 1 1 328.416 0.488 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cccc(OC)n2)C1 ZINC001030462187 763435429 /nfs/dbraw/zinc/43/54/29/763435429.db2.gz KRSKBLUYFRDOTD-INIZCTEOSA-N 1 1 328.416 0.488 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001046952994 763452617 /nfs/dbraw/zinc/45/26/17/763452617.db2.gz CNLYALVKGMLJIK-GJZGRUSLSA-N 1 1 343.418 0.804 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000995086961 763453500 /nfs/dbraw/zinc/45/35/00/763453500.db2.gz LPZDABNPRJYBPY-PMPSAXMXSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001046955917 763458939 /nfs/dbraw/zinc/45/89/39/763458939.db2.gz IGNDPNXWMPEMFI-SNVBAGLBSA-N 1 1 325.315 0.699 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001046955917 763458946 /nfs/dbraw/zinc/45/89/46/763458946.db2.gz IGNDPNXWMPEMFI-SNVBAGLBSA-N 1 1 325.315 0.699 20 30 ECEDMO C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001046961050 763468681 /nfs/dbraw/zinc/46/86/81/763468681.db2.gz HYAJJURDNMZAGE-GFCCVEGCSA-N 1 1 336.346 0.997 20 30 ECEDMO N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@H]2CCCc3[nH+]ccn32)cn1 ZINC001105994793 763477153 /nfs/dbraw/zinc/47/71/53/763477153.db2.gz HIFIWXFUTALSFX-CHWSQXEVSA-N 1 1 341.375 0.011 20 30 ECEDMO N#Cc1nccnc1NC[C@H](O)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001105995069 763482476 /nfs/dbraw/zinc/48/24/76/763482476.db2.gz LPEROWJHEVFGRV-AAEUAGOBSA-N 1 1 341.375 0.011 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046983158 763507543 /nfs/dbraw/zinc/50/75/43/763507543.db2.gz WYYDMMMWLUVTRS-LBPRGKRZSA-N 1 1 343.374 0.689 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001046994045 763531353 /nfs/dbraw/zinc/53/13/53/763531353.db2.gz GUYJCLLLYUHZFV-STQMWFEESA-N 1 1 337.374 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001046994045 763531360 /nfs/dbraw/zinc/53/13/60/763531360.db2.gz GUYJCLLLYUHZFV-STQMWFEESA-N 1 1 337.374 0.547 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N2CCC2)C3)c1 ZINC001047049944 763591868 /nfs/dbraw/zinc/59/18/68/763591868.db2.gz BWNNZTGKNWZNRS-CFVMTHIKSA-N 1 1 341.415 0.701 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3CCC(O)CC3)C2)CC1 ZINC001052020622 763602884 /nfs/dbraw/zinc/60/28/84/763602884.db2.gz IRUQDKXRQVQDNO-LXPRWKDFSA-N 1 1 333.476 0.779 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccn(C)n3)C2)CC1 ZINC001052024448 763612832 /nfs/dbraw/zinc/61/28/32/763612832.db2.gz COVQOTIAUVDLBA-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)C2)CC1 ZINC001052028945 763624441 /nfs/dbraw/zinc/62/44/41/763624441.db2.gz VEYOTWCPMHSXBZ-DLBZAZTESA-N 1 1 341.459 0.681 20 30 ECEDMO CC#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031404 763632502 /nfs/dbraw/zinc/63/25/02/763632502.db2.gz NBZMXWCHGZYDQO-GBESFXJTSA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnn3C(F)F)C2)CC1 ZINC001052032316 763634002 /nfs/dbraw/zinc/63/40/02/763634002.db2.gz FLXMVLZPSIIMSC-ZDUSSCGKSA-N 1 1 337.374 0.744 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)C2)CC1 ZINC001052032400 763635522 /nfs/dbraw/zinc/63/55/22/763635522.db2.gz GRCOHPNELJMKCR-FUHWJXTLSA-N 1 1 343.475 0.679 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3nn(C)cc3Cl)C2)CC1 ZINC001052033687 763637333 /nfs/dbraw/zinc/63/73/33/763637333.db2.gz SIRRRKNPKFNCFI-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052035530 763643547 /nfs/dbraw/zinc/64/35/47/763643547.db2.gz LBYVGBHRJXDOBZ-INIZCTEOSA-N 1 1 327.432 0.295 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccnn3C)C2)CC1 ZINC001052035999 763646785 /nfs/dbraw/zinc/64/67/85/763646785.db2.gz WKFXUTFQGNGICU-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3ccnn3C)C2)CC1 ZINC001052035999 763646789 /nfs/dbraw/zinc/64/67/89/763646789.db2.gz WKFXUTFQGNGICU-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C2)CC1 ZINC001052037144 763653786 /nfs/dbraw/zinc/65/37/86/763653786.db2.gz DYDSKZAMZZBDQW-OAHLLOKOSA-N 1 1 343.431 0.131 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052042342 763671330 /nfs/dbraw/zinc/67/13/30/763671330.db2.gz AYJIJKLEUYTZMA-VQIMIIECSA-N 1 1 346.475 0.145 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cccnc3C)C2)C1=O ZINC001031940249 763689192 /nfs/dbraw/zinc/68/91/92/763689192.db2.gz PYSANYFHYIJBIV-INIZCTEOSA-N 1 1 328.416 0.839 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)C(C)(C)[N@H+](C)CC)n1 ZINC001106011172 763691906 /nfs/dbraw/zinc/69/19/06/763691906.db2.gz LGNYAEGIEADGHW-ZDUSSCGKSA-N 1 1 348.451 0.530 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc(C)nn3C)C2)CC1 ZINC001052048893 763699417 /nfs/dbraw/zinc/69/94/17/763699417.db2.gz FRCSQNOHKCAGRP-INIZCTEOSA-N 1 1 331.464 0.676 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cc(C)nn3C)C2)CC1 ZINC001052048893 763699419 /nfs/dbraw/zinc/69/94/19/763699419.db2.gz FRCSQNOHKCAGRP-INIZCTEOSA-N 1 1 331.464 0.676 20 30 ECEDMO C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)ccc3=O)C2)CC1 ZINC001052050176 763705847 /nfs/dbraw/zinc/70/58/47/763705847.db2.gz SGHMLIOTXOSQHB-MRXNPFEDSA-N 1 1 344.459 0.794 20 30 ECEDMO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052052597 763716596 /nfs/dbraw/zinc/71/65/96/763716596.db2.gz QWWYGWIHFGSZTO-KRWDZBQOSA-N 1 1 342.443 0.572 20 30 ECEDMO C[C@H](CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)c1cnn(C)c1 ZINC001052053480 763718690 /nfs/dbraw/zinc/71/86/90/763718690.db2.gz MCGKFMZETJROBG-WBVHZDCISA-N 1 1 344.463 0.656 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052056218 763726958 /nfs/dbraw/zinc/72/69/58/763726958.db2.gz UIJVQRWUWLSJBJ-JHMPBIJASA-N 1 1 330.432 0.152 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)CC1 ZINC001052056448 763727410 /nfs/dbraw/zinc/72/74/10/763727410.db2.gz XLXXZDSDSHORKF-KSZLIROESA-N 1 1 331.460 0.653 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)CC1 ZINC001052059291 763737309 /nfs/dbraw/zinc/73/73/09/763737309.db2.gz GCYSPDJEKOLQOR-OAHLLOKOSA-N 1 1 333.436 0.715 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)CC1 ZINC001052059291 763737315 /nfs/dbraw/zinc/73/73/15/763737315.db2.gz GCYSPDJEKOLQOR-OAHLLOKOSA-N 1 1 333.436 0.715 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)nc3OC)C2)CC1 ZINC001052060799 763741827 /nfs/dbraw/zinc/74/18/27/763741827.db2.gz MQLAMAJFVDVNGB-HNNXBMFYSA-N 1 1 345.447 0.284 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069211 763764050 /nfs/dbraw/zinc/76/40/50/763764050.db2.gz UAOLIOPSFVWDCY-QFBILLFUSA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)CC1 ZINC001052069307 763764539 /nfs/dbraw/zinc/76/45/39/763764539.db2.gz XINWXEIGYUBHJH-SJORKVTESA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)CC1 ZINC001052069307 763764546 /nfs/dbraw/zinc/76/45/46/763764546.db2.gz XINWXEIGYUBHJH-SJORKVTESA-N 1 1 348.491 0.790 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(OC)cn3)C2)CC1 ZINC001052071745 763773458 /nfs/dbraw/zinc/77/34/58/763773458.db2.gz YOUWUYMFJRCQLV-KRWDZBQOSA-N 1 1 342.443 0.484 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccnc3OC)C2)CC1 ZINC001052074472 763779814 /nfs/dbraw/zinc/77/98/14/763779814.db2.gz DWKIFMIWWGCHGK-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)C2)CC1 ZINC001052082490 763801633 /nfs/dbraw/zinc/80/16/33/763801633.db2.gz SWPXDTUFXHKJEM-JKSUJKDBSA-N 1 1 341.459 0.681 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CCF)CC2)C1 ZINC001052088158 763820762 /nfs/dbraw/zinc/82/07/62/763820762.db2.gz HEKKYFMVLKFFNQ-XHSDSOJGSA-N 1 1 325.428 0.766 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)nc(C)n3)C2)CC1 ZINC001052096819 763848130 /nfs/dbraw/zinc/84/81/30/763848130.db2.gz PXJNTYJVMRLMET-INIZCTEOSA-N 1 1 327.432 0.559 20 30 ECEDMO CN(C(=O)C(F)F)[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001047268751 763850495 /nfs/dbraw/zinc/85/04/95/763850495.db2.gz ULHOFFISHJYEHX-KBPBESRZSA-N 1 1 339.342 0.858 20 30 ECEDMO CN(C(=O)C(F)F)[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001047268751 763850500 /nfs/dbraw/zinc/85/05/00/763850500.db2.gz ULHOFFISHJYEHX-KBPBESRZSA-N 1 1 339.342 0.858 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)nc1 ZINC000995169522 763850697 /nfs/dbraw/zinc/85/06/97/763850697.db2.gz UNXXPOGXCGXFMB-KBPBESRZSA-N 1 1 339.403 0.275 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[C@H]3CCCOC3)C2)CC1 ZINC001052102221 763864854 /nfs/dbraw/zinc/86/48/54/763864854.db2.gz COFJRMZAIBVSGK-SJORKVTESA-N 1 1 334.464 0.935 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3coc(COC)n3)C2)CC1 ZINC001052103913 763870344 /nfs/dbraw/zinc/87/03/44/763870344.db2.gz VVVINKSMLMHIJG-CQSZACIVSA-N 1 1 334.420 0.839 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052104930 763874648 /nfs/dbraw/zinc/87/46/48/763874648.db2.gz BNVOPSKSXOZRRD-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052104930 763874656 /nfs/dbraw/zinc/87/46/56/763874656.db2.gz BNVOPSKSXOZRRD-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106656 763881504 /nfs/dbraw/zinc/88/15/04/763881504.db2.gz QBFJZBOJQHLGSU-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106656 763881516 /nfs/dbraw/zinc/88/15/16/763881516.db2.gz QBFJZBOJQHLGSU-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106988 763884737 /nfs/dbraw/zinc/88/47/37/763884737.db2.gz YPCJUWGNLKWTGJ-SFHVURJKSA-N 1 1 343.475 0.687 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccn3)C2)CC1 ZINC001052108147 763889985 /nfs/dbraw/zinc/88/99/85/763889985.db2.gz KECVEZAXCDRHSJ-IAGOWNOFSA-N 1 1 342.443 0.701 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)CC1 ZINC001052113260 763911226 /nfs/dbraw/zinc/91/12/26/763911226.db2.gz QPBDXAHNLHOCBZ-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO CN(C(=O)Cn1cccn1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047302484 763930747 /nfs/dbraw/zinc/93/07/47/763930747.db2.gz NZVULSUJTMZRBU-IRXDYDNUSA-N 1 1 339.399 0.458 20 30 ECEDMO CN(C(=O)Cn1cccn1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047302484 763930752 /nfs/dbraw/zinc/93/07/52/763930752.db2.gz NZVULSUJTMZRBU-IRXDYDNUSA-N 1 1 339.399 0.458 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001052119315 763936549 /nfs/dbraw/zinc/93/65/49/763936549.db2.gz OXAPRMGONNROOV-QZTJIDSGSA-N 1 1 332.492 0.713 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)CC1 ZINC001052123597 763950036 /nfs/dbraw/zinc/95/00/36/763950036.db2.gz JUVJACLUKINWFV-IAGOWNOFSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)CC1 ZINC001052123597 763950040 /nfs/dbraw/zinc/95/00/40/763950040.db2.gz JUVJACLUKINWFV-IAGOWNOFSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2ccnc(C#N)n2)C1 ZINC001052132456 763963908 /nfs/dbraw/zinc/96/39/08/763963908.db2.gz UIZBWSZQKPMWFG-NRXISQOPSA-N 1 1 338.415 0.174 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2ccnc(C#N)n2)C1 ZINC001052132456 763963913 /nfs/dbraw/zinc/96/39/13/763963913.db2.gz UIZBWSZQKPMWFG-NRXISQOPSA-N 1 1 338.415 0.174 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn(C)c3)CC2)C1=O ZINC001052192474 764037033 /nfs/dbraw/zinc/03/70/33/764037033.db2.gz UJSRCTHUBRBLGV-CVEARBPZSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cccn3)CC2)C1=O ZINC001052200924 764043596 /nfs/dbraw/zinc/04/35/96/764043596.db2.gz IYPXZVDOYVSMET-CVEARBPZSA-N 1 1 345.447 0.641 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(C)nn3CC)C2)C1=O ZINC001032000877 764064734 /nfs/dbraw/zinc/06/47/34/764064734.db2.gz BLLKAXSNTZSKRR-OAHLLOKOSA-N 1 1 345.447 0.660 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001047354179 764090950 /nfs/dbraw/zinc/09/09/50/764090950.db2.gz USJCUWOLLGLVRY-HOTGVXAUSA-N 1 1 332.404 0.573 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C(F)(F)F)[C@@H](O)C1 ZINC001083777982 764104759 /nfs/dbraw/zinc/10/47/59/764104759.db2.gz WIJQDGCQUOWXMT-ZJUUUORDSA-N 1 1 330.310 0.535 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(c3cnc(C#N)cn3)C[C@@]2(C)C1 ZINC001052234103 764105017 /nfs/dbraw/zinc/10/50/17/764105017.db2.gz MBTHLVOBKAUCFY-XUWXXGDYSA-N 1 1 340.431 0.727 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cncnc3CC)C2)nn1 ZINC001098784715 768191157 /nfs/dbraw/zinc/19/11/57/768191157.db2.gz KDCUFCKLDDTDFW-AWEZNQCLSA-N 1 1 341.419 0.993 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ncc(OC)cn3)C2)C1=O ZINC001015212609 764160039 /nfs/dbraw/zinc/16/00/39/764160039.db2.gz QJLIMCMTBGCJTE-OCCSQVGLSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ncc(OC)cn3)C2)C1=O ZINC001015212609 764160041 /nfs/dbraw/zinc/16/00/41/764160041.db2.gz QJLIMCMTBGCJTE-OCCSQVGLSA-N 1 1 345.403 0.076 20 30 ECEDMO C[C@H]1CN(C(=O)C2CC2)CC2(CC[NH+](CC(=O)NCC#N)CC2)O1 ZINC001111532145 764165519 /nfs/dbraw/zinc/16/55/19/764165519.db2.gz QTLRZEHYXIOZDH-ZDUSSCGKSA-N 1 1 334.420 0.118 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001047379788 764167337 /nfs/dbraw/zinc/16/73/37/764167337.db2.gz NIXVZKMXHHPFSN-IRXDYDNUSA-N 1 1 348.447 0.928 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)c1 ZINC001052284324 764192009 /nfs/dbraw/zinc/19/20/09/764192009.db2.gz BUXDQBFKOIIGOS-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CCn1cc(C(=O)NCC2C[NH+](CCO[C@@H]3CC3(F)F)C2)nn1 ZINC001032035023 764227505 /nfs/dbraw/zinc/22/75/05/764227505.db2.gz LFUDNOYFSJNZCO-CYBMUJFWSA-N 1 1 341.362 0.550 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083778243 764245120 /nfs/dbraw/zinc/24/51/20/764245120.db2.gz GMDWAWKWWPWAKW-QGTPRVQTSA-N 1 1 342.443 0.704 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001047409344 764256021 /nfs/dbraw/zinc/25/60/21/764256021.db2.gz SNRMBASRICENDZ-HOTGVXAUSA-N 1 1 344.411 0.988 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001047412541 764263352 /nfs/dbraw/zinc/26/33/52/764263352.db2.gz XKWUNOVGFWBSPH-SZMVWBNQSA-N 1 1 328.412 0.862 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001047412541 764263354 /nfs/dbraw/zinc/26/33/54/764263354.db2.gz XKWUNOVGFWBSPH-SZMVWBNQSA-N 1 1 328.412 0.862 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001047414288 764270447 /nfs/dbraw/zinc/27/04/47/764270447.db2.gz DWMIESGTTGKBIQ-GJZGRUSLSA-N 1 1 345.399 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cc(C)no2)C[C@@H]1O ZINC001047415456 764275573 /nfs/dbraw/zinc/27/55/73/764275573.db2.gz ZJBRMZMLAJKDQH-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cc(C)no2)C[C@@H]1O ZINC001047415456 764275575 /nfs/dbraw/zinc/27/55/75/764275575.db2.gz ZJBRMZMLAJKDQH-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001047416177 764277853 /nfs/dbraw/zinc/27/78/53/764277853.db2.gz YDPNGLMIWYCZAO-IRXDYDNUSA-N 1 1 326.400 0.701 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001047416177 764277860 /nfs/dbraw/zinc/27/78/60/764277860.db2.gz YDPNGLMIWYCZAO-IRXDYDNUSA-N 1 1 326.400 0.701 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CCNC2=O)C1 ZINC000995271464 764279020 /nfs/dbraw/zinc/27/90/20/764279020.db2.gz GJRAFIGRDBWDRS-IRXDYDNUSA-N 1 1 340.427 0.501 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)C1 ZINC001106069079 764298219 /nfs/dbraw/zinc/29/82/19/764298219.db2.gz LCTJUTUODADNAD-UKRRQHHQSA-N 1 1 346.435 0.359 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)CNc2nccnc2C#N)C1 ZINC001106069546 764302673 /nfs/dbraw/zinc/30/26/73/764302673.db2.gz UGYMPZUYCYTGJM-UONOGXRCSA-N 1 1 346.435 0.359 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001047427601 764312818 /nfs/dbraw/zinc/31/28/18/764312818.db2.gz YOCRHAOAEXSMRA-HOTGVXAUSA-N 1 1 329.400 0.266 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001047427601 764312827 /nfs/dbraw/zinc/31/28/27/764312827.db2.gz YOCRHAOAEXSMRA-HOTGVXAUSA-N 1 1 329.400 0.266 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3ccccc3n2)C1 ZINC001047431836 764324140 /nfs/dbraw/zinc/32/41/40/764324140.db2.gz HYZDNXWONDYQDB-HOTGVXAUSA-N 1 1 328.416 0.956 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001047432660 764330074 /nfs/dbraw/zinc/33/00/74/764330074.db2.gz CSTYKXQFONHQAZ-PVAVHDDUSA-N 1 1 332.448 0.915 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)ncn3C)C1 ZINC001047434942 764335790 /nfs/dbraw/zinc/33/57/90/764335790.db2.gz BSYLTIHDHSRWFR-IRXDYDNUSA-N 1 1 326.400 0.714 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001047435273 764337642 /nfs/dbraw/zinc/33/76/42/764337642.db2.gz GWAZMZAYLRXGCP-IRXDYDNUSA-N 1 1 339.399 0.612 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001047441354 764355712 /nfs/dbraw/zinc/35/57/12/764355712.db2.gz QQNBBJYBSIIUPZ-HOTGVXAUSA-N 1 1 349.431 0.188 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(OC)cccc2OC)C1 ZINC001047443902 764364215 /nfs/dbraw/zinc/36/42/15/764364215.db2.gz PFAGXXBCOWABPX-GJZGRUSLSA-N 1 1 332.400 0.383 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(OC)cccc2OC)C1 ZINC001047443902 764364227 /nfs/dbraw/zinc/36/42/27/764364227.db2.gz PFAGXXBCOWABPX-GJZGRUSLSA-N 1 1 332.400 0.383 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001047447115 764373759 /nfs/dbraw/zinc/37/37/59/764373759.db2.gz KSIBUIGWYNHYCQ-DZKIICNBSA-N 1 1 334.803 0.780 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001047447115 764373764 /nfs/dbraw/zinc/37/37/64/764373764.db2.gz KSIBUIGWYNHYCQ-DZKIICNBSA-N 1 1 334.803 0.780 20 30 ECEDMO C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015334991 764395079 /nfs/dbraw/zinc/39/50/79/764395079.db2.gz SFSVOYFJJNXLLA-IOSBVQAASA-N 1 1 325.840 0.793 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCCO3)C1 ZINC001047453395 764395235 /nfs/dbraw/zinc/39/52/35/764395235.db2.gz WFMBMZSWMKAJPC-GJZGRUSLSA-N 1 1 334.420 0.749 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cc(C)ccc3O2)C1 ZINC001047455898 764398954 /nfs/dbraw/zinc/39/89/54/764398954.db2.gz GBYSYEOTJUMRLP-XYJFISCASA-N 1 1 328.412 0.825 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cc(C)ccc3O2)C1 ZINC001047455898 764398960 /nfs/dbraw/zinc/39/89/60/764398960.db2.gz GBYSYEOTJUMRLP-XYJFISCASA-N 1 1 328.412 0.825 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3ccc(F)cc3O2)C1 ZINC001047457531 764402831 /nfs/dbraw/zinc/40/28/31/764402831.db2.gz AWZOLMJCOAOYIS-JYJNAYRXSA-N 1 1 332.375 0.656 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3ccc(F)cc3O2)C1 ZINC001047457531 764402836 /nfs/dbraw/zinc/40/28/36/764402836.db2.gz AWZOLMJCOAOYIS-JYJNAYRXSA-N 1 1 332.375 0.656 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015357504 764430737 /nfs/dbraw/zinc/43/07/37/764430737.db2.gz PKBMOIIRSOAFMJ-ZACQAIPSSA-N 1 1 337.464 0.633 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(CC)nn3C)C2)C1=O ZINC001032071122 764455103 /nfs/dbraw/zinc/45/51/03/764455103.db2.gz OYBYWNOQOSDGFF-HNNXBMFYSA-N 1 1 345.447 0.431 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001047478256 764460425 /nfs/dbraw/zinc/46/04/25/764460425.db2.gz QSEBPBRQXORLBE-HOTGVXAUSA-N 1 1 341.415 0.417 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001047479454 764465604 /nfs/dbraw/zinc/46/56/04/764465604.db2.gz NKFGEOFOTDXEBP-HOTGVXAUSA-N 1 1 341.415 0.487 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001047479454 764465612 /nfs/dbraw/zinc/46/56/12/764465612.db2.gz NKFGEOFOTDXEBP-HOTGVXAUSA-N 1 1 341.415 0.487 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1 ZINC001078254888 782569084 /nfs/dbraw/zinc/56/90/84/782569084.db2.gz UVYYOXHDBRZZLK-HZPDHXFCSA-N 1 1 333.363 0.582 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001099054264 764486001 /nfs/dbraw/zinc/48/60/01/764486001.db2.gz CCHVYCJDTDLMGX-CHWSQXEVSA-N 1 1 341.402 0.998 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001099054264 764486008 /nfs/dbraw/zinc/48/60/08/764486008.db2.gz CCHVYCJDTDLMGX-CHWSQXEVSA-N 1 1 341.402 0.998 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC001052438815 764497924 /nfs/dbraw/zinc/49/79/24/764497924.db2.gz CAEPNLQHVDZAHS-CABCVRRESA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001047498168 764514362 /nfs/dbraw/zinc/51/43/62/764514362.db2.gz JEUNWCDCVDRLLI-PMPSAXMXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3cccnc3)on2)C1 ZINC001047505186 764539458 /nfs/dbraw/zinc/53/94/58/764539458.db2.gz CVHWJKWBPCJBTJ-HOTGVXAUSA-N 1 1 340.383 0.877 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)c1 ZINC001047521235 764579629 /nfs/dbraw/zinc/57/96/29/764579629.db2.gz OGUVZTDKQHNMIQ-SZMVWBNQSA-N 1 1 343.427 0.607 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001089874696 764594310 /nfs/dbraw/zinc/59/43/10/764594310.db2.gz IRLQNUKSCAPRDV-TUUVXOQKSA-N 1 1 343.427 0.231 20 30 ECEDMO CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047528367 764602343 /nfs/dbraw/zinc/60/23/43/764602343.db2.gz PFKLSPSFTQWNPU-HEHGZKQESA-N 1 1 326.416 0.226 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3oncc3C)[C@H]2C)C1=O ZINC001088954899 764607323 /nfs/dbraw/zinc/60/73/23/764607323.db2.gz GEALPFMLXIKKKG-HZSPNIEDSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3oncc3C)[C@H]2C)C1=O ZINC001088954899 764607328 /nfs/dbraw/zinc/60/73/28/764607328.db2.gz GEALPFMLXIKKKG-HZSPNIEDSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3oncc3C)[C@H]2C)C1=O ZINC001088954900 764607469 /nfs/dbraw/zinc/60/74/69/764607469.db2.gz GEALPFMLXIKKKG-RDBSUJKOSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3oncc3C)[C@H]2C)C1=O ZINC001088954900 764607474 /nfs/dbraw/zinc/60/74/74/764607474.db2.gz GEALPFMLXIKKKG-RDBSUJKOSA-N 1 1 332.404 0.963 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001047529721 764609756 /nfs/dbraw/zinc/60/97/56/764609756.db2.gz IGOOYHLGACIXCP-KBPBESRZSA-N 1 1 335.404 0.879 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC(=O)NCCC)C2)nn1 ZINC001098767731 764616559 /nfs/dbraw/zinc/61/65/59/764616559.db2.gz OATZRRPOMJMDAO-OAHLLOKOSA-N 1 1 348.451 0.634 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001052500785 764625129 /nfs/dbraw/zinc/62/51/29/764625129.db2.gz PGWNIGMAPZFTMF-CYBMUJFWSA-N 1 1 339.417 0.535 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001052502327 764629827 /nfs/dbraw/zinc/62/98/27/764629827.db2.gz CNOFDCHXCRNTQF-UONOGXRCSA-N 1 1 331.420 0.540 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CC(=O)NC1=O ZINC001089879255 764632869 /nfs/dbraw/zinc/63/28/69/764632869.db2.gz ZYZZYFFRBDFGJC-XQLPTFJDSA-N 1 1 346.431 0.283 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)[C@H]2C[N@H+](CC#CC)C[C@@H]2O)cc1 ZINC001047554731 764682041 /nfs/dbraw/zinc/68/20/41/764682041.db2.gz FIVCSMHSCIXEOT-ROUUACIJSA-N 1 1 326.396 0.839 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CC#CC)C[C@@H]2O)cc1 ZINC001047554731 764682050 /nfs/dbraw/zinc/68/20/50/764682050.db2.gz FIVCSMHSCIXEOT-ROUUACIJSA-N 1 1 326.396 0.839 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)nn1 ZINC001047558145 764691182 /nfs/dbraw/zinc/69/11/82/764691182.db2.gz YLEJAYNYHHLMNU-HOTGVXAUSA-N 1 1 333.436 0.771 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001052525785 764691363 /nfs/dbraw/zinc/69/13/63/764691363.db2.gz PCIRTAQZMKKVBG-LLVKDONJSA-N 1 1 327.406 0.697 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001052525633 764691432 /nfs/dbraw/zinc/69/14/32/764691432.db2.gz NJBAKFBOYXMNBH-LLVKDONJSA-N 1 1 325.390 0.145 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001052528433 764697336 /nfs/dbraw/zinc/69/73/36/764697336.db2.gz DUXFNJGKNXPZJJ-IAGOWNOFSA-N 1 1 349.475 0.579 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)Cc3ccco3)C2)C1=O ZINC001047571919 764730465 /nfs/dbraw/zinc/73/04/65/764730465.db2.gz GCXLRCOUBSNHDD-JYJNAYRXSA-N 1 1 347.415 0.113 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)Cc3ccco3)C2)C1=O ZINC001047571919 764730469 /nfs/dbraw/zinc/73/04/69/764730469.db2.gz GCXLRCOUBSNHDD-JYJNAYRXSA-N 1 1 347.415 0.113 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3[nH]nnc3C)C2)cc1C#N ZINC001015479662 764740458 /nfs/dbraw/zinc/74/04/58/764740458.db2.gz MMUMSNVPJAZJSN-CQSZACIVSA-N 1 1 340.387 0.998 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3[nH]nnc3C)C2)cc1C#N ZINC001015479662 764740461 /nfs/dbraw/zinc/74/04/61/764740461.db2.gz MMUMSNVPJAZJSN-CQSZACIVSA-N 1 1 340.387 0.998 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)cc1 ZINC001015486265 764756733 /nfs/dbraw/zinc/75/67/33/764756733.db2.gz GPEPWOYLVYIAKR-HNNXBMFYSA-N 1 1 340.383 0.024 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)cc1 ZINC001015486265 764756738 /nfs/dbraw/zinc/75/67/38/764756738.db2.gz GPEPWOYLVYIAKR-HNNXBMFYSA-N 1 1 340.383 0.024 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c3ccccc3nn2C)C1 ZINC001047587220 764789297 /nfs/dbraw/zinc/78/92/97/764789297.db2.gz ARFSJRYTTZCBNF-HOTGVXAUSA-N 1 1 326.400 0.714 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC001052590775 764812211 /nfs/dbraw/zinc/81/22/11/764812211.db2.gz GMAYKVSEYURDQD-IXDOHACOSA-N 1 1 335.448 0.616 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)cc1 ZINC001015505242 764822136 /nfs/dbraw/zinc/82/21/36/764822136.db2.gz SSLKBEMJWHAIBS-HOCLYGCPSA-N 1 1 342.399 0.416 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001047596778 764824114 /nfs/dbraw/zinc/82/41/14/764824114.db2.gz ADFDPUUPQFAOTJ-GJZGRUSLSA-N 1 1 332.404 0.741 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001047596778 764824118 /nfs/dbraw/zinc/82/41/18/764824118.db2.gz ADFDPUUPQFAOTJ-GJZGRUSLSA-N 1 1 332.404 0.741 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC001052603404 764835198 /nfs/dbraw/zinc/83/51/98/764835198.db2.gz WRGINNCSSWIFNS-HNNXBMFYSA-N 1 1 341.415 0.490 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001047601568 764843715 /nfs/dbraw/zinc/84/37/15/764843715.db2.gz AKLHKBJNOXMHCS-KBMXLJTQSA-N 1 1 347.415 0.246 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001047601760 764844916 /nfs/dbraw/zinc/84/49/16/764844916.db2.gz KGOOMCLHZMVJJP-ROUUACIJSA-N 1 1 343.427 0.714 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)nc1 ZINC001047602065 764847034 /nfs/dbraw/zinc/84/70/34/764847034.db2.gz XUQANZWHPHXGNZ-SZMVWBNQSA-N 1 1 343.427 0.749 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CC(=O)N(C)C1=O ZINC001089888410 764870410 /nfs/dbraw/zinc/87/04/10/764870410.db2.gz FYBIVTKJPWINKQ-YJNKXOJESA-N 1 1 346.431 0.235 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(c3ncccn3)C[C@@]2(C)C1 ZINC001052624515 764881423 /nfs/dbraw/zinc/88/14/23/764881423.db2.gz SQIXGFKXTNGOGB-TXPKVOOTSA-N 1 1 339.443 0.859 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(c3ncccn3)C[C@@]2(C)C1 ZINC001052624515 764881431 /nfs/dbraw/zinc/88/14/31/764881431.db2.gz SQIXGFKXTNGOGB-TXPKVOOTSA-N 1 1 339.443 0.859 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC001047617929 764896189 /nfs/dbraw/zinc/89/61/89/764896189.db2.gz HOLXXYSJDFJINO-GJZGRUSLSA-N 1 1 330.384 0.137 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC001047617929 764896197 /nfs/dbraw/zinc/89/61/97/764896197.db2.gz HOLXXYSJDFJINO-GJZGRUSLSA-N 1 1 330.384 0.137 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047623811 764911106 /nfs/dbraw/zinc/91/11/06/764911106.db2.gz AMRJCPROWJHZBL-XIRDDKMYSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CCCOCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001052641100 764917499 /nfs/dbraw/zinc/91/74/99/764917499.db2.gz KVGIWVOBVYRHST-GOEBONIOSA-N 1 1 348.447 0.995 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001047629367 764933333 /nfs/dbraw/zinc/93/33/33/764933333.db2.gz AJRUZYLLVFYHBO-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO N#CCN1CC[C@]2(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991959269 764946691 /nfs/dbraw/zinc/94/66/91/764946691.db2.gz XXWXTXLJRQJDBM-YGEZIXBOSA-N 1 1 330.432 0.486 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)CC2)c1 ZINC001052698233 765004176 /nfs/dbraw/zinc/00/41/76/765004176.db2.gz HDACFKLOAWQQRD-CJNGLKHVSA-N 1 1 328.416 0.782 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@H]12 ZINC000991976738 765030173 /nfs/dbraw/zinc/03/01/73/765030173.db2.gz RPPWNDZABDWWSE-ZQIUZPCESA-N 1 1 329.404 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cnc(C)[nH]2)C1 ZINC000991993474 765096420 /nfs/dbraw/zinc/09/64/20/765096420.db2.gz ONBQMAYJPVSTCW-XUJLQICISA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cnc(C)[nH]2)C1 ZINC000991993474 765096425 /nfs/dbraw/zinc/09/64/25/765096425.db2.gz ONBQMAYJPVSTCW-XUJLQICISA-N 1 1 343.431 0.440 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccn(C)n3)CC2)nn1 ZINC001052775691 765099829 /nfs/dbraw/zinc/09/98/29/765099829.db2.gz WNPBJPRDXPVWKB-CQSZACIVSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccn(C)n3)CC2)nn1 ZINC001052775691 765099837 /nfs/dbraw/zinc/09/98/37/765099837.db2.gz WNPBJPRDXPVWKB-CQSZACIVSA-N 1 1 343.435 0.982 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1F ZINC001015633602 765106764 /nfs/dbraw/zinc/10/67/64/765106764.db2.gz IMEGLASHBSVZIW-GXTWGEPZSA-N 1 1 331.351 0.069 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1F ZINC001015633602 765106767 /nfs/dbraw/zinc/10/67/67/765106767.db2.gz IMEGLASHBSVZIW-GXTWGEPZSA-N 1 1 331.351 0.069 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001052784326 765116348 /nfs/dbraw/zinc/11/63/48/765116348.db2.gz QEROWXAMHQMMIH-CQSZACIVSA-N 1 1 334.424 0.336 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001052784315 765116999 /nfs/dbraw/zinc/11/69/99/765116999.db2.gz QCXBEDFIBDSMPE-HNNXBMFYSA-N 1 1 348.451 0.726 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000992002818 765118384 /nfs/dbraw/zinc/11/83/84/765118384.db2.gz DMAFHKAQZVLLAQ-HGMXIMQMSA-N 1 1 329.404 0.605 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](O)CN3CCCC3=O)C2)CC1 ZINC001015659462 765135053 /nfs/dbraw/zinc/13/50/53/765135053.db2.gz BDBXNGJZSBURQK-IRXDYDNUSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001052830678 765193301 /nfs/dbraw/zinc/19/33/01/765193301.db2.gz IPXVLBCOYVUKNV-HUUCEWRRSA-N 1 1 331.420 0.532 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3nc[nH]n3)CC2)C1=O ZINC001052854147 765234014 /nfs/dbraw/zinc/23/40/14/765234014.db2.gz YNUGXDVNAOTBCR-KGLIPLIRSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3nnc[nH]3)CC2)C1=O ZINC001052854147 765234025 /nfs/dbraw/zinc/23/40/25/765234025.db2.gz YNUGXDVNAOTBCR-KGLIPLIRSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3nnc[nH]3)CC2)C1=O ZINC001052854147 765234030 /nfs/dbraw/zinc/23/40/30/765234030.db2.gz YNUGXDVNAOTBCR-KGLIPLIRSA-N 1 1 346.435 0.105 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001015720400 765236411 /nfs/dbraw/zinc/23/64/11/765236411.db2.gz AHWDWGWNLBDESO-XHSDSOJGSA-N 1 1 331.416 0.667 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)[C@@H]2CCCO2)C1 ZINC000992040083 765247875 /nfs/dbraw/zinc/24/78/75/765247875.db2.gz HBTHOIJEBWSFQN-CKUJCDMFSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)[C@@H]2CCCO2)C1 ZINC000992040083 765247878 /nfs/dbraw/zinc/24/78/78/765247878.db2.gz HBTHOIJEBWSFQN-CKUJCDMFSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)cc1 ZINC001015809764 765366898 /nfs/dbraw/zinc/36/68/98/765366898.db2.gz UMCFDTZPQAPUCX-DOTOQJQBSA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)cc1 ZINC001015809764 765366907 /nfs/dbraw/zinc/36/69/07/765366907.db2.gz UMCFDTZPQAPUCX-DOTOQJQBSA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)cc1 ZINC001015809986 765367076 /nfs/dbraw/zinc/36/70/76/765367076.db2.gz XEJXSWSUTHNTCV-OAHLLOKOSA-N 1 1 329.400 0.591 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)cc1 ZINC001015809986 765367085 /nfs/dbraw/zinc/36/70/85/765367085.db2.gz XEJXSWSUTHNTCV-OAHLLOKOSA-N 1 1 329.400 0.591 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C2)nn1 ZINC001015821028 765383980 /nfs/dbraw/zinc/38/39/80/765383980.db2.gz PUQVBESCVAYQRM-AWEZNQCLSA-N 1 1 329.408 0.555 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001015828395 765390538 /nfs/dbraw/zinc/39/05/38/765390538.db2.gz GDJXBBBLUCZTTJ-ZOBUZTSGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(C)nc3C)C2)C1=O ZINC001015868997 765468423 /nfs/dbraw/zinc/46/84/23/765468423.db2.gz FWZSGQBFTVXXJJ-HOCLYGCPSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)nc3C)C2)C1=O ZINC001015868997 765468430 /nfs/dbraw/zinc/46/84/30/765468430.db2.gz FWZSGQBFTVXXJJ-HOCLYGCPSA-N 1 1 343.431 0.684 20 30 ECEDMO Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)n1 ZINC001052992920 765471059 /nfs/dbraw/zinc/47/10/59/765471059.db2.gz TUENOSHUIORLPR-IYBDPMFKSA-N 1 1 342.447 0.995 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001053035516 765509975 /nfs/dbraw/zinc/50/99/75/765509975.db2.gz CSLDAEVVHXAFOD-HUUCEWRRSA-N 1 1 330.436 0.798 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001046689393 768298527 /nfs/dbraw/zinc/29/85/27/768298527.db2.gz IVSWTLVKLMKOBJ-UKRRQHHQSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001015903902 765519720 /nfs/dbraw/zinc/51/97/20/765519720.db2.gz WFUHEJLIOFGGBG-UXLLHSPISA-N 1 1 344.459 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001015903902 765519725 /nfs/dbraw/zinc/51/97/25/765519725.db2.gz WFUHEJLIOFGGBG-UXLLHSPISA-N 1 1 344.459 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001053044624 765521957 /nfs/dbraw/zinc/52/19/57/765521957.db2.gz QUNHOHQCQBJCLN-GJZGRUSLSA-N 1 1 345.443 0.623 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001053102999 765580346 /nfs/dbraw/zinc/58/03/46/765580346.db2.gz YSPWHTGCJLWYRW-CABCVRRESA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nnn(C)c4C3)CCC[C@@H]12 ZINC000992128815 765583909 /nfs/dbraw/zinc/58/39/09/765583909.db2.gz YHGNUANGKQUCSO-MZMPZRCHSA-N 1 1 327.432 0.666 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001016015865 765722264 /nfs/dbraw/zinc/72/22/64/765722264.db2.gz CQOGRJWOTXXPED-HIFRSBDPSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001016015865 765722271 /nfs/dbraw/zinc/72/22/71/765722271.db2.gz CQOGRJWOTXXPED-HIFRSBDPSA-N 1 1 342.399 0.128 20 30 ECEDMO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001077499813 765723930 /nfs/dbraw/zinc/72/39/30/765723930.db2.gz RVEGBJFWTKYIBT-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)nc1 ZINC001016027226 765730991 /nfs/dbraw/zinc/73/09/91/765730991.db2.gz NOKVVGTXAFYROH-JKSUJKDBSA-N 1 1 339.399 0.125 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc1C#N ZINC001016029717 765732253 /nfs/dbraw/zinc/73/22/53/765732253.db2.gz FXIGHPOAWWWQLH-GJZGRUSLSA-N 1 1 342.399 0.536 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc1C#N ZINC001016029717 765732261 /nfs/dbraw/zinc/73/22/61/765732261.db2.gz FXIGHPOAWWWQLH-GJZGRUSLSA-N 1 1 342.399 0.536 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1CCN1CCNC1=O ZINC000993173102 768317024 /nfs/dbraw/zinc/31/70/24/768317024.db2.gz TWSLCHKJEQRNKA-TZMCWYRMSA-N 1 1 344.419 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn4cc[nH]c34)C2)C1=O ZINC001016107330 765788821 /nfs/dbraw/zinc/78/88/21/765788821.db2.gz DWFNSBUYYKSIBJ-TZMCWYRMSA-N 1 1 342.403 0.253 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnn4cc[nH]c34)C2)C1=O ZINC001016107330 765788822 /nfs/dbraw/zinc/78/88/22/765788822.db2.gz DWFNSBUYYKSIBJ-TZMCWYRMSA-N 1 1 342.403 0.253 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001016109100 765792413 /nfs/dbraw/zinc/79/24/13/765792413.db2.gz ZEQXJJOJQNHCJS-UKRRQHHQSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001016109100 765792418 /nfs/dbraw/zinc/79/24/18/765792418.db2.gz ZEQXJJOJQNHCJS-UKRRQHHQSA-N 1 1 331.420 0.238 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001016109663 765793768 /nfs/dbraw/zinc/79/37/68/765793768.db2.gz DTZNJACCLOFJIN-IRXDYDNUSA-N 1 1 325.412 0.632 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001016109663 765793770 /nfs/dbraw/zinc/79/37/70/765793770.db2.gz DTZNJACCLOFJIN-IRXDYDNUSA-N 1 1 325.412 0.632 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)c3OC)C2)C1=O ZINC001016120546 765808502 /nfs/dbraw/zinc/80/85/02/765808502.db2.gz RGXXFBZBEYJPRZ-GXTWGEPZSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)c3OC)C2)C1=O ZINC001016120546 765808509 /nfs/dbraw/zinc/80/85/09/765808509.db2.gz RGXXFBZBEYJPRZ-GXTWGEPZSA-N 1 1 347.419 0.020 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC000992185063 765812303 /nfs/dbraw/zinc/81/23/03/765812303.db2.gz YGHPDDMPGRZZAO-YYAJDYIMSA-N 1 1 347.459 0.923 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)CCO2 ZINC001053281152 765895452 /nfs/dbraw/zinc/89/54/52/765895452.db2.gz RFLIJVFWGZJHIL-UHFFFAOYSA-N 1 1 342.403 0.846 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCC(=O)NC1)CCO2 ZINC001053284474 765902398 /nfs/dbraw/zinc/90/23/98/765902398.db2.gz DNLVWERMNKFAIS-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cocn2)C1 ZINC000992208627 765902427 /nfs/dbraw/zinc/90/24/27/765902427.db2.gz RYFGYKAMSCUWMB-PIMMBPRGSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cocn2)C1 ZINC000992208627 765902432 /nfs/dbraw/zinc/90/24/32/765902432.db2.gz RYFGYKAMSCUWMB-PIMMBPRGSA-N 1 1 330.388 0.397 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C2)cc1 ZINC001016209823 765910722 /nfs/dbraw/zinc/91/07/22/765910722.db2.gz VAQDGCKCECLKQM-HNNXBMFYSA-N 1 1 340.383 0.398 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2ccc[nH]2)C1 ZINC000992209791 765913346 /nfs/dbraw/zinc/91/33/46/765913346.db2.gz ZMNSPXGSNJGYGT-PREGVCBESA-N 1 1 342.443 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2ccc[nH]2)C1 ZINC000992209791 765913350 /nfs/dbraw/zinc/91/33/50/765913350.db2.gz ZMNSPXGSNJGYGT-PREGVCBESA-N 1 1 342.443 0.666 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@@H](CC)OC)C2)C1 ZINC001053291147 765919365 /nfs/dbraw/zinc/91/93/65/765919365.db2.gz ASGQEJZMBDLHLC-SJORKVTESA-N 1 1 349.475 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@@H](CC)OC)C2)C1 ZINC001053291147 765919371 /nfs/dbraw/zinc/91/93/71/765919371.db2.gz ASGQEJZMBDLHLC-SJORKVTESA-N 1 1 349.475 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@@H](C)OC)C2)C1 ZINC001053291289 765919941 /nfs/dbraw/zinc/91/99/41/765919941.db2.gz HWWCYMACAKHQIQ-CVEARBPZSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@@H](C)OC)C2)C1 ZINC001053291289 765919946 /nfs/dbraw/zinc/91/99/46/765919946.db2.gz HWWCYMACAKHQIQ-CVEARBPZSA-N 1 1 335.448 0.032 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC000992242627 766027626 /nfs/dbraw/zinc/02/76/26/766027626.db2.gz RTVQSPWEIWDNRX-DRMAHVMPSA-N 1 1 347.459 0.969 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nnnn4CC3)CCC[C@@H]12 ZINC000992249694 766050987 /nfs/dbraw/zinc/05/09/87/766050987.db2.gz NAPFVTVCLCOGPP-CKEIUWERSA-N 1 1 328.420 0.372 20 30 ECEDMO CCN1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304920 766080502 /nfs/dbraw/zinc/08/05/02/766080502.db2.gz ISODZJDOLVWICE-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001016324802 766114578 /nfs/dbraw/zinc/11/45/78/766114578.db2.gz AWDHUVHDGWYNRF-SSDMNJCBSA-N 1 1 329.404 0.700 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)CCO2 ZINC001053431883 766122274 /nfs/dbraw/zinc/12/22/74/766122274.db2.gz PPMTXXPDZWKJDY-UHFFFAOYSA-N 1 1 332.404 0.607 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CCN3CCCC3=O)C2)CC1 ZINC001016328292 766122904 /nfs/dbraw/zinc/12/29/04/766122904.db2.gz CFYHQOFQJDUPPU-KRWDZBQOSA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3ncn4nccc4c3=O)CCC[C@@H]12 ZINC000992277245 766131260 /nfs/dbraw/zinc/13/12/60/766131260.db2.gz WJMKTHYKNWNFDT-PBHICJAKSA-N 1 1 342.403 0.190 20 30 ECEDMO C=C(C)CCN1CC2(C1)CN(C(=O)CC[NH+]1CCOCC1)CCO2 ZINC001053471754 766190577 /nfs/dbraw/zinc/19/05/77/766190577.db2.gz GBARSHLZQMWLIZ-UHFFFAOYSA-N 1 1 337.464 0.588 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc4n[nH]c(=O)n4c3)CCC[C@H]12 ZINC000992308091 766227476 /nfs/dbraw/zinc/22/74/76/766227476.db2.gz IPJGXDLDIALWNO-SUMWQHHRSA-N 1 1 325.372 0.795 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCN(C)S3(=O)=O)CCC[C@H]12 ZINC000992312260 766237929 /nfs/dbraw/zinc/23/79/29/766237929.db2.gz PANMKNWFMALFLM-VNHYZAJKSA-N 1 1 327.450 0.320 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 ZINC000992320247 766257776 /nfs/dbraw/zinc/25/77/76/766257776.db2.gz CTTXYFVLGIPZNO-WBMJQRKESA-N 1 1 339.823 0.905 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 ZINC000992320247 766257781 /nfs/dbraw/zinc/25/77/81/766257781.db2.gz CTTXYFVLGIPZNO-WBMJQRKESA-N 1 1 339.823 0.905 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001016419534 766264870 /nfs/dbraw/zinc/26/48/70/766264870.db2.gz PPCFSXVHKXIFFV-PESDSKBTSA-N 1 1 329.404 0.700 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)nn1 ZINC000992329694 766296019 /nfs/dbraw/zinc/29/60/19/766296019.db2.gz XBQJHHYWGQYMOJ-CJNGLKHVSA-N 1 1 332.408 0.066 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)nn1 ZINC000992329694 766296022 /nfs/dbraw/zinc/29/60/22/766296022.db2.gz XBQJHHYWGQYMOJ-CJNGLKHVSA-N 1 1 332.408 0.066 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCN1C(C)=O)CCO2 ZINC001053545435 766311883 /nfs/dbraw/zinc/31/18/83/766311883.db2.gz VNKPIQBTGRGADN-MRXNPFEDSA-N 1 1 335.448 0.877 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992351282 766351630 /nfs/dbraw/zinc/35/16/30/766351630.db2.gz MRPKUMWALNCYDL-KDOFPFPSSA-N 1 1 344.415 0.875 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@H]12 ZINC000992351824 766352542 /nfs/dbraw/zinc/35/25/42/766352542.db2.gz NPLTVSGATSNJHF-QFBILLFUSA-N 1 1 342.443 0.997 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)O2 ZINC001053585212 766375656 /nfs/dbraw/zinc/37/56/56/766375656.db2.gz DOQJGFQHVHAQBH-ZIAGYGMSSA-N 1 1 343.855 0.419 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)O2 ZINC001053585212 766375666 /nfs/dbraw/zinc/37/56/66/766375666.db2.gz DOQJGFQHVHAQBH-ZIAGYGMSSA-N 1 1 343.855 0.419 20 30 ECEDMO CO[C@H](C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)O2 ZINC001053593700 766390577 /nfs/dbraw/zinc/39/05/77/766390577.db2.gz RMAIFQCGPWUPJJ-OCCSQVGLSA-N 1 1 332.404 0.884 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1 ZINC001053607518 766423094 /nfs/dbraw/zinc/42/30/94/766423094.db2.gz YEZGDPUBZUMDNW-HOTGVXAUSA-N 1 1 334.464 0.837 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)c1 ZINC001045844252 766426891 /nfs/dbraw/zinc/42/68/91/766426891.db2.gz FHKRYMIQLIGDJZ-MAZHCROVSA-N 1 1 326.400 0.616 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(N)=O)c1 ZINC001045844252 766426896 /nfs/dbraw/zinc/42/68/96/766426896.db2.gz FHKRYMIQLIGDJZ-MAZHCROVSA-N 1 1 326.400 0.616 20 30 ECEDMO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)O2 ZINC001053609278 766427096 /nfs/dbraw/zinc/42/70/96/766427096.db2.gz WAHBBCNHIFQTOI-GJZGRUSLSA-N 1 1 328.416 0.743 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](CC)C(N)=O)nn1 ZINC001045861558 766439999 /nfs/dbraw/zinc/43/99/99/766439999.db2.gz SWTCYAJXGNDKDS-IPYPFGDCSA-N 1 1 346.435 0.407 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000992381770 766443015 /nfs/dbraw/zinc/44/30/15/766443015.db2.gz LCPGMIOVBWXZOK-CKDBGZEDSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCC(C(N)=O)CC1)O2 ZINC001053620420 766454539 /nfs/dbraw/zinc/45/45/39/766454539.db2.gz LYAXWWCMEGUPQC-GPANFISMSA-N 1 1 347.459 0.651 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC[C@]2(CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001045924040 766496686 /nfs/dbraw/zinc/49/66/86/766496686.db2.gz GGHQJGDQFOIPRQ-SUMWQHHRSA-N 1 1 346.435 0.473 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC[C@]2(CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001045924040 766496688 /nfs/dbraw/zinc/49/66/88/766496688.db2.gz GGHQJGDQFOIPRQ-SUMWQHHRSA-N 1 1 346.435 0.473 20 30 ECEDMO O=C(C#CC1CC1)N1CCCC[C@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001045938028 766509183 /nfs/dbraw/zinc/50/91/83/766509183.db2.gz QLLMXYJKHRBEAC-VQIMIIECSA-N 1 1 329.444 0.993 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCOCC1=O)C2 ZINC001045943920 766514218 /nfs/dbraw/zinc/51/42/18/766514218.db2.gz RMQRUKKBWSPPFY-GOSISDBHSA-N 1 1 333.432 0.183 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@H](C)C(=O)NC)CC3)nc1 ZINC000992422482 766533032 /nfs/dbraw/zinc/53/30/32/766533032.db2.gz OHMUBWMJDJKCJJ-AZOIQLNYSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)c1 ZINC001045965457 766537306 /nfs/dbraw/zinc/53/73/06/766537306.db2.gz HRBYLUHCHPZJIX-IBGZPJMESA-N 1 1 340.427 0.866 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@H]12 ZINC000992426596 766540937 /nfs/dbraw/zinc/54/09/37/766540937.db2.gz JWROPCLLWIQHSX-SUMWQHHRSA-N 1 1 332.404 0.065 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)nn1 ZINC001045973411 766543417 /nfs/dbraw/zinc/54/34/17/766543417.db2.gz PLBJPFOMLCKTFX-KRWDZBQOSA-N 1 1 346.435 0.268 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)nn1 ZINC001045973411 766543421 /nfs/dbraw/zinc/54/34/21/766543421.db2.gz PLBJPFOMLCKTFX-KRWDZBQOSA-N 1 1 346.435 0.268 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@H]12 ZINC000992428782 766550443 /nfs/dbraw/zinc/55/04/43/766550443.db2.gz LVYMJAUIZDYHCI-SUMWQHHRSA-N 1 1 342.403 0.721 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001045983247 766554644 /nfs/dbraw/zinc/55/46/44/766554644.db2.gz KQQOLRRIVFJUSI-QGZVFWFLSA-N 1 1 334.420 0.429 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001045984765 766556132 /nfs/dbraw/zinc/55/61/32/766556132.db2.gz IGLKIPSETNMZAU-HOCLYGCPSA-N 1 1 341.477 0.569 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212255623 766559652 /nfs/dbraw/zinc/55/96/52/766559652.db2.gz NWSMEVRFXFYTGJ-ARFHVFGLSA-N 1 1 349.475 0.768 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cn([C@H]4CCOC4)nn3)CCC[C@H]12 ZINC000992437933 766571393 /nfs/dbraw/zinc/57/13/93/766571393.db2.gz YGWGGNWPISTDPA-QILLFSRXSA-N 1 1 343.431 0.990 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@H]12 ZINC000992453709 766612938 /nfs/dbraw/zinc/61/29/38/766612938.db2.gz HSDURHGOPJPZRG-YOEHRIQHSA-N 1 1 331.420 0.027 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@H]12 ZINC000992453667 766612996 /nfs/dbraw/zinc/61/29/96/766612996.db2.gz HPSAMODVYAGFLJ-WMLDXEAASA-N 1 1 333.436 0.580 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)ncn1 ZINC001046011634 766637374 /nfs/dbraw/zinc/63/73/74/766637374.db2.gz FNNGFSFRRZDZIS-RHSMWYFYSA-N 1 1 342.447 0.663 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](CCOC3CCC3)C2)CC1 ZINC001046012044 766638415 /nfs/dbraw/zinc/63/84/15/766638415.db2.gz JUWSWNKEOSDTOM-HOTGVXAUSA-N 1 1 334.464 0.934 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)C3CCN(C(N)=O)CC3)CCC[C@H]12 ZINC000992467749 766644433 /nfs/dbraw/zinc/64/44/33/766644433.db2.gz VQNGBOZXVCHGDY-MAUKXSAKSA-N 1 1 332.448 0.914 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 ZINC001046014494 766647107 /nfs/dbraw/zinc/64/71/07/766647107.db2.gz YDUYRCVOXVNHJE-SJORKVTESA-N 1 1 336.480 0.112 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)C1 ZINC001046021481 766665992 /nfs/dbraw/zinc/66/59/92/766665992.db2.gz IGFRFRSQRBHLJC-MRXNPFEDSA-N 1 1 328.416 0.643 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cc3nc4ncccn4n3)CCC[C@@H]12 ZINC000992478013 766671302 /nfs/dbraw/zinc/67/13/02/766671302.db2.gz OVOYGFUVROATMV-KDOFPFPSSA-N 1 1 338.415 0.803 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CCn3ccnn3)CC2)C1 ZINC001046024158 766675263 /nfs/dbraw/zinc/67/52/63/766675263.db2.gz GQBUETQEARYOJK-INIZCTEOSA-N 1 1 332.452 0.463 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3nn(C)cc3C)CC2)C1 ZINC001046028336 766689891 /nfs/dbraw/zinc/68/98/91/766689891.db2.gz ZMTVZQQPEAUNHF-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028176 766690376 /nfs/dbraw/zinc/69/03/76/766690376.db2.gz RWYYXWPJSCTXOU-HNNXBMFYSA-N 1 1 332.452 0.613 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnnn3CC)CC2)C1 ZINC001046029618 766694519 /nfs/dbraw/zinc/69/45/19/766694519.db2.gz XGDDGODPEGPQRK-HNNXBMFYSA-N 1 1 332.452 0.706 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C)nc2)C1 ZINC000994750278 766695363 /nfs/dbraw/zinc/69/53/63/766695363.db2.gz HCIVXBCLRNFASU-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C)nc2)C1 ZINC000994750278 766695369 /nfs/dbraw/zinc/69/53/69/766695369.db2.gz HCIVXBCLRNFASU-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccncc3C)CC2)C1 ZINC001046030371 766697018 /nfs/dbraw/zinc/69/70/18/766697018.db2.gz PMCPMDXGQNZLTP-SFHVURJKSA-N 1 1 326.444 0.784 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(N(C)C)cn3)CC2)C1 ZINC001046030462 766697897 /nfs/dbraw/zinc/69/78/97/766697897.db2.gz RUQQEJZIVKJLQQ-HNNXBMFYSA-N 1 1 342.447 0.008 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccn(C)c2)C1 ZINC001016670541 766700044 /nfs/dbraw/zinc/70/00/44/766700044.db2.gz PKPWKFKXQUCFFP-JCYILVPMSA-N 1 1 342.443 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccn(C)c2)C1 ZINC001016670541 766700047 /nfs/dbraw/zinc/70/00/47/766700047.db2.gz PKPWKFKXQUCFFP-JCYILVPMSA-N 1 1 342.443 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC000994754931 766708713 /nfs/dbraw/zinc/70/87/13/766708713.db2.gz OPWXTWKXBMKAIS-PWSUYJOCSA-N 1 1 331.338 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC000994754931 766708717 /nfs/dbraw/zinc/70/87/17/766708717.db2.gz OPWXTWKXBMKAIS-PWSUYJOCSA-N 1 1 331.338 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000994753307 766709894 /nfs/dbraw/zinc/70/98/94/766709894.db2.gz YKEBLULEIZIKPS-HOTGVXAUSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000994753307 766709895 /nfs/dbraw/zinc/70/98/95/766709895.db2.gz YKEBLULEIZIKPS-HOTGVXAUSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)C1 ZINC001046034268 766712423 /nfs/dbraw/zinc/71/24/23/766712423.db2.gz QSKQHIBXDSMESD-OAHLLOKOSA-N 1 1 338.415 0.423 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046035049 766717767 /nfs/dbraw/zinc/71/77/67/766717767.db2.gz CHDIRZGCERSGBL-SJORKVTESA-N 1 1 348.491 0.697 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046035136 766718228 /nfs/dbraw/zinc/71/82/28/766718228.db2.gz FMZQWFJSZBLSNY-ROUUACIJSA-N 1 1 347.507 0.991 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 ZINC001046035218 766719485 /nfs/dbraw/zinc/71/94/85/766719485.db2.gz HILQWMZLFQQNIN-DLBZAZTESA-N 1 1 348.491 0.697 20 30 ECEDMO N#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001046035546 766721763 /nfs/dbraw/zinc/72/17/63/766721763.db2.gz OUVSTZWBDIALOW-CVEARBPZSA-N 1 1 342.447 0.503 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cn(C)nc3C)CC2)C1 ZINC001046036178 766725464 /nfs/dbraw/zinc/72/54/64/766725464.db2.gz CBJUHZRHNCHCKF-GOSISDBHSA-N 1 1 343.475 0.513 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)c(C)cc3=O)CC2)C1 ZINC001046036870 766729015 /nfs/dbraw/zinc/72/90/15/766729015.db2.gz IARKHVGARFAEBV-INIZCTEOSA-N 1 1 342.443 0.159 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)c(C)cc3=O)CC2)C1 ZINC001046036870 766729021 /nfs/dbraw/zinc/72/90/21/766729021.db2.gz IARKHVGARFAEBV-INIZCTEOSA-N 1 1 342.443 0.159 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC001046037348 766732292 /nfs/dbraw/zinc/73/22/92/766732292.db2.gz XHNQPLOXGFTQBQ-HNNXBMFYSA-N 1 1 345.447 0.684 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046040556 766748022 /nfs/dbraw/zinc/74/80/22/766748022.db2.gz FAFSKTDXCXPBGO-DLBZAZTESA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3CCC)CC2)C1 ZINC001046042595 766756294 /nfs/dbraw/zinc/75/62/94/766756294.db2.gz JNIUBTPGEVJHHK-MRXNPFEDSA-N 1 1 343.475 0.838 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001099171104 766757967 /nfs/dbraw/zinc/75/79/67/766757967.db2.gz MQKXDMSAOKGQPT-OAHLLOKOSA-N 1 1 334.464 0.048 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC001046043638 766761715 /nfs/dbraw/zinc/76/17/15/766761715.db2.gz CADQIEBMKUPQMD-HOTGVXAUSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC001046043663 766762328 /nfs/dbraw/zinc/76/23/28/766762328.db2.gz CPCIHTUILLJVTB-HNNXBMFYSA-N 1 1 330.432 0.403 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncc4ccccn43)CC2)C1 ZINC001046043740 766763660 /nfs/dbraw/zinc/76/36/60/766763660.db2.gz LKIOQBPBADCTEN-QGZVFWFLSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)[nH]c(=O)c3)CC2)C1 ZINC001046043990 766764616 /nfs/dbraw/zinc/76/46/16/766764616.db2.gz GTHDOQQQYQRXLI-QGZVFWFLSA-N 1 1 342.443 0.815 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OCC)no3)CC2)C1 ZINC001046044751 766769126 /nfs/dbraw/zinc/76/91/26/766769126.db2.gz QNMNBECJHMNSAE-CQSZACIVSA-N 1 1 332.404 0.539 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccnc(C)n3)CC2)C1 ZINC001046045449 766771577 /nfs/dbraw/zinc/77/15/77/766771577.db2.gz IQFOTOSLPCGKRC-GOSISDBHSA-N 1 1 341.459 0.569 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C(N)=O)cn3)CCC[C@H]12 ZINC000992525598 766779701 /nfs/dbraw/zinc/77/97/01/766779701.db2.gz WNPZADZOJRYLMB-YJBOKZPZSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)C1 ZINC001046049861 766784185 /nfs/dbraw/zinc/78/41/85/766784185.db2.gz YWMCGQICBPXAJV-KRWDZBQOSA-N 1 1 343.475 0.892 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046050324 766787645 /nfs/dbraw/zinc/78/76/45/766787645.db2.gz KKTSTAFMAHAZMZ-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046051768 766792418 /nfs/dbraw/zinc/79/24/18/766792418.db2.gz NUJOBHTXCSIGAM-HUUCEWRRSA-N 1 1 334.464 0.306 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)c3cncnc3)CC2)C1 ZINC001046054793 766801921 /nfs/dbraw/zinc/80/19/21/766801921.db2.gz QCGBPOWJOFDDGD-SJLPKXTDSA-N 1 1 341.459 0.822 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046055059 766804655 /nfs/dbraw/zinc/80/46/55/766804655.db2.gz FEOGJAWQQGLQFF-APWZRJJASA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(F)CCOC3)CC2)C1 ZINC001046057347 766814698 /nfs/dbraw/zinc/81/46/98/766814698.db2.gz YOMOKFPUXDZKGT-WBVHZDCISA-N 1 1 325.428 0.910 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058639 766817965 /nfs/dbraw/zinc/81/79/65/766817965.db2.gz PQCBQIMFWWVGJF-ZDUSSCGKSA-N 1 1 340.855 0.223 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058639 766817975 /nfs/dbraw/zinc/81/79/75/766817975.db2.gz PQCBQIMFWWVGJF-ZDUSSCGKSA-N 1 1 340.855 0.223 20 30 ECEDMO CC[C@H](C[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]c(C#N)c1)CO2)OC ZINC001053780319 766820569 /nfs/dbraw/zinc/82/05/69/766820569.db2.gz GYWYHHBDGIQBRR-LSDHHAIUSA-N 1 1 332.404 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H](C)OC)CC1 ZINC001060753253 766851364 /nfs/dbraw/zinc/85/13/64/766851364.db2.gz DSTXYWDGXJVVFN-QAETUUGQSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H](C)OC)CC1 ZINC001060753253 766851371 /nfs/dbraw/zinc/85/13/71/766851371.db2.gz DSTXYWDGXJVVFN-QAETUUGQSA-N 1 1 349.475 0.910 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC001046067761 766861429 /nfs/dbraw/zinc/86/14/29/766861429.db2.gz VPRJFSPWGQLMOM-TVFCKZIOSA-N 1 1 331.460 0.796 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046068740 766863893 /nfs/dbraw/zinc/86/38/93/766863893.db2.gz RWNIUCXJERSVFZ-NVXWUHKLSA-N 1 1 331.464 0.993 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068740 766863896 /nfs/dbraw/zinc/86/38/96/766863896.db2.gz RWNIUCXJERSVFZ-NVXWUHKLSA-N 1 1 331.464 0.993 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068740 766863905 /nfs/dbraw/zinc/86/39/05/766863905.db2.gz RWNIUCXJERSVFZ-NVXWUHKLSA-N 1 1 331.464 0.993 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc4cccnn34)CC2)C1 ZINC001046070128 766871732 /nfs/dbraw/zinc/87/17/32/766871732.db2.gz LSJMHURJPNVPTA-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(CCOC)nc1C)CO2 ZINC001053799898 766879360 /nfs/dbraw/zinc/87/93/60/766879360.db2.gz DQOVWEPTHRTDJO-OAHLLOKOSA-N 1 1 348.447 0.987 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(OC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000994821592 766884880 /nfs/dbraw/zinc/88/48/80/766884880.db2.gz HTYXMURHDRDJNS-BBRMVZONSA-N 1 1 348.447 0.459 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)CN1C(=O)CC(C)(C)C1=O)CO2 ZINC001053801495 766885308 /nfs/dbraw/zinc/88/53/08/766885308.db2.gz OUFBKJZFCXJHJG-ZDUSSCGKSA-N 1 1 349.431 0.307 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)NC ZINC001089654176 766893325 /nfs/dbraw/zinc/89/33/25/766893325.db2.gz VEPYPFQJOSJHIM-CVEARBPZSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)NC ZINC001089654176 766893336 /nfs/dbraw/zinc/89/33/36/766893336.db2.gz VEPYPFQJOSJHIM-CVEARBPZSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)CN1CC(=O)NC ZINC001089654176 766893346 /nfs/dbraw/zinc/89/33/46/766893346.db2.gz VEPYPFQJOSJHIM-CVEARBPZSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)CN1CC(=O)NC ZINC001089654176 766893356 /nfs/dbraw/zinc/89/33/56/766893356.db2.gz VEPYPFQJOSJHIM-CVEARBPZSA-N 1 1 348.491 0.437 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C(C)C)nn3)CC2)C1 ZINC001046075482 766896111 /nfs/dbraw/zinc/89/61/11/766896111.db2.gz URKJLEOIMXYPDK-HNNXBMFYSA-N 1 1 332.452 0.877 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](C[C@H](C)O)C3)CC2)cn1 ZINC001046076125 766900809 /nfs/dbraw/zinc/90/08/09/766900809.db2.gz JEMWSCSPJBUDFQ-YJBOKZPZSA-N 1 1 342.443 0.276 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H](C)N3CCCC3=O)CC2)C1 ZINC001046076315 766902690 /nfs/dbraw/zinc/90/26/90/766902690.db2.gz LSPIRHBZKUVZEI-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC001046077338 766908304 /nfs/dbraw/zinc/90/83/04/766908304.db2.gz MSBCLPUIMNLBMF-HOTGVXAUSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077338 766908307 /nfs/dbraw/zinc/90/83/07/766908307.db2.gz MSBCLPUIMNLBMF-HOTGVXAUSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077338 766908309 /nfs/dbraw/zinc/90/83/09/766908309.db2.gz MSBCLPUIMNLBMF-HOTGVXAUSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC001046079235 766913365 /nfs/dbraw/zinc/91/33/65/766913365.db2.gz RNGDAIKPORXEBC-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCN([C@@H]3CC[N@@H+](CC)C3)CC2)CC1 ZINC001046087116 766929846 /nfs/dbraw/zinc/92/98/46/766929846.db2.gz UJFWUKOTIQEXKY-GOSISDBHSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCN([C@@H]3CC[N@H+](CC)C3)CC2)CC1 ZINC001046087116 766929848 /nfs/dbraw/zinc/92/98/48/766929848.db2.gz UJFWUKOTIQEXKY-GOSISDBHSA-N 1 1 332.492 0.570 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)C1 ZINC001046087939 766930662 /nfs/dbraw/zinc/93/06/62/766930662.db2.gz AUZBGSHPWRNIIQ-CVEARBPZSA-N 1 1 349.479 0.324 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3C3CC3)CC2)C1 ZINC001046089932 766931997 /nfs/dbraw/zinc/93/19/97/766931997.db2.gz LVFONVGBXNYATD-MRXNPFEDSA-N 1 1 341.459 0.763 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cc(C3CC3)nn1)CO2 ZINC001053824768 766947999 /nfs/dbraw/zinc/94/79/99/766947999.db2.gz CYCNHKDSBBBXTK-AWEZNQCLSA-N 1 1 331.420 0.691 20 30 ECEDMO C=CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CO2 ZINC001053827041 766953496 /nfs/dbraw/zinc/95/34/96/766953496.db2.gz QEBMVFUWQRIYEM-NVXWUHKLSA-N 1 1 349.475 0.775 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnn1CCOC)CO2 ZINC001053839224 766985684 /nfs/dbraw/zinc/98/56/84/766985684.db2.gz ZGWJRNUYZADLOC-AWEZNQCLSA-N 1 1 334.420 0.679 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nc(C)oc2C)C1 ZINC001031741331 766988535 /nfs/dbraw/zinc/98/85/35/766988535.db2.gz WOEVCIAWNWRSGV-KRWDZBQOSA-N 1 1 330.432 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nc(C)oc2C)C1 ZINC001031741331 766988540 /nfs/dbraw/zinc/98/85/40/766988540.db2.gz WOEVCIAWNWRSGV-KRWDZBQOSA-N 1 1 330.432 0.937 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)nc1COC)CO2 ZINC001053850989 767017893 /nfs/dbraw/zinc/01/78/93/767017893.db2.gz IEAKTKHVLVWAMU-CYBMUJFWSA-N 1 1 334.420 0.716 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nccn3C1)CO2 ZINC001053852289 767023159 /nfs/dbraw/zinc/02/31/59/767023159.db2.gz JVOAAULCPPRKCY-GJZGRUSLSA-N 1 1 330.432 0.981 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1COCCN1CC)CO2 ZINC001053854084 767028374 /nfs/dbraw/zinc/02/83/74/767028374.db2.gz RMXKADZFNGNKRK-HZPDHXFCSA-N 1 1 337.464 0.633 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)c[nH]1 ZINC000994854457 767035573 /nfs/dbraw/zinc/03/55/73/767035573.db2.gz KVOBCNJAALVXBA-JKSUJKDBSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccnn3C)C2)C1=O ZINC001046190004 767038732 /nfs/dbraw/zinc/03/87/32/767038732.db2.gz PXJWJGYUKIGLAA-PBHICJAKSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccnn3C)C2)C1=O ZINC001046190004 767038740 /nfs/dbraw/zinc/03/87/40/767038740.db2.gz PXJWJGYUKIGLAA-PBHICJAKSA-N 1 1 331.420 0.401 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCCC(=O)N1)CO2 ZINC001053865921 767072254 /nfs/dbraw/zinc/07/22/54/767072254.db2.gz NDOLPQWASBZRKD-GJZGRUSLSA-N 1 1 335.448 0.971 20 30 ECEDMO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001046224626 767092935 /nfs/dbraw/zinc/09/29/35/767092935.db2.gz SVXXKXWSFVAQJE-ACJLOTCBSA-N 1 1 343.431 0.997 20 30 ECEDMO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001046224628 767092969 /nfs/dbraw/zinc/09/29/69/767092969.db2.gz SVXXKXWSFVAQJE-SCLBCKFNSA-N 1 1 343.431 0.997 20 30 ECEDMO C#CCN1CC2(C1)C[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)CO2 ZINC001053873412 767097746 /nfs/dbraw/zinc/09/77/46/767097746.db2.gz YCURPSXKDICBIQ-AWEZNQCLSA-N 1 1 328.416 0.355 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CCn4cncn4)[C@H]3C2)[nH]1 ZINC001042016760 782604272 /nfs/dbraw/zinc/60/42/72/782604272.db2.gz UDSSCOJJVVFLQL-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2conc2C)C1 ZINC000938755976 767106824 /nfs/dbraw/zinc/10/68/24/767106824.db2.gz DSXBBNAVONGKKN-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2conc2C)C1 ZINC000938755976 767106826 /nfs/dbraw/zinc/10/68/26/767106826.db2.gz DSXBBNAVONGKKN-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cncn2C)C1 ZINC000938756532 767107088 /nfs/dbraw/zinc/10/70/88/767107088.db2.gz RBPWTWHXPRNLHU-GJZGRUSLSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cncn2C)C1 ZINC000938756532 767107089 /nfs/dbraw/zinc/10/70/89/767107089.db2.gz RBPWTWHXPRNLHU-GJZGRUSLSA-N 1 1 343.431 0.191 20 30 ECEDMO CN(C(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1)C1CC1 ZINC001046248333 767107109 /nfs/dbraw/zinc/10/71/09/767107109.db2.gz NXWJQOGQUPZQQU-KRWDZBQOSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1)C1CC1 ZINC001046248333 767107110 /nfs/dbraw/zinc/10/71/10/767107110.db2.gz NXWJQOGQUPZQQU-KRWDZBQOSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046248181 767107201 /nfs/dbraw/zinc/10/72/01/767107201.db2.gz MICFZSIUWJWOLN-MJGOQNOKSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046248363 767107469 /nfs/dbraw/zinc/10/74/69/767107469.db2.gz OLCWDTVLKQSUOR-INIZCTEOSA-N 1 1 330.392 0.106 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253216 767110841 /nfs/dbraw/zinc/11/08/41/767110841.db2.gz SGMBOWOUNXOJGV-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253216 767110843 /nfs/dbraw/zinc/11/08/43/767110843.db2.gz SGMBOWOUNXOJGV-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccnn3CC)C2)C1=O ZINC001046265099 767117195 /nfs/dbraw/zinc/11/71/95/767117195.db2.gz RUORQLOAJCTFHL-MAUKXSAKSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccnn3CC)C2)C1=O ZINC001046265099 767117197 /nfs/dbraw/zinc/11/71/97/767117197.db2.gz RUORQLOAJCTFHL-MAUKXSAKSA-N 1 1 345.447 0.884 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046289352 767129753 /nfs/dbraw/zinc/12/97/53/767129753.db2.gz UQWGLELLCSSWGW-PBHICJAKSA-N 1 1 328.372 0.747 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001089732346 767135449 /nfs/dbraw/zinc/13/54/49/767135449.db2.gz SRQJXYFMNXWXGC-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001089734893 767136632 /nfs/dbraw/zinc/13/66/32/767136632.db2.gz CYLLSMPAMXJURO-CYBMUJFWSA-N 1 1 348.451 0.560 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cncn2)C1 ZINC001089763929 767147605 /nfs/dbraw/zinc/14/76/05/767147605.db2.gz LPFITWOHXGAEIA-QAETUUGQSA-N 1 1 327.432 0.860 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCCC2=O)C1 ZINC001089769481 767151434 /nfs/dbraw/zinc/15/14/34/767151434.db2.gz MUNRLVYESSJUFO-QAETUUGQSA-N 1 1 329.444 0.801 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001046329912 767152406 /nfs/dbraw/zinc/15/24/06/767152406.db2.gz ZSPNQHPLDYIDJJ-VNQPRFMTSA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001046329912 767152408 /nfs/dbraw/zinc/15/24/08/767152408.db2.gz ZSPNQHPLDYIDJJ-VNQPRFMTSA-N 1 1 343.431 0.899 20 30 ECEDMO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001089775838 767156320 /nfs/dbraw/zinc/15/63/20/767156320.db2.gz UPVGODWBMLRTCR-MGPQQGTHSA-N 1 1 346.435 0.398 20 30 ECEDMO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001089775838 767156322 /nfs/dbraw/zinc/15/63/22/767156322.db2.gz UPVGODWBMLRTCR-MGPQQGTHSA-N 1 1 346.435 0.398 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nccnc1N ZINC001089787250 767178821 /nfs/dbraw/zinc/17/88/21/767178821.db2.gz MCOZAEMAZJGVDB-XGUBFFRZSA-N 1 1 325.416 0.865 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2OC)CC[N@H+]1C ZINC001212299957 767188116 /nfs/dbraw/zinc/18/81/16/767188116.db2.gz RVYDNDROHYDUAE-YLFCFFPRSA-N 1 1 337.464 0.182 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C#N)cn1 ZINC001046388309 767188473 /nfs/dbraw/zinc/18/84/73/767188473.db2.gz YHLBBVZJYIVQFN-OFQRWUPVSA-N 1 1 327.432 0.942 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001212316122 767206898 /nfs/dbraw/zinc/20/68/98/767206898.db2.gz IMOZTNLLUMDHPH-NWANDNLSSA-N 1 1 335.404 0.789 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000994898858 767209972 /nfs/dbraw/zinc/20/99/72/767209972.db2.gz DSAKJCXHGRVIBD-QWRGUYRKSA-N 1 1 328.380 0.098 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046425987 767212405 /nfs/dbraw/zinc/21/24/05/767212405.db2.gz LQNPYDMBJWLERV-CQSZACIVSA-N 1 1 325.390 0.145 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046425987 767212407 /nfs/dbraw/zinc/21/24/07/767212407.db2.gz LQNPYDMBJWLERV-CQSZACIVSA-N 1 1 325.390 0.145 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CN(C(C)=O)C1 ZINC001089798063 767222504 /nfs/dbraw/zinc/22/25/04/767222504.db2.gz QULAFKHVXRTKEG-HPBDAGMYSA-N 1 1 329.444 0.657 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)o1 ZINC001089798841 767223713 /nfs/dbraw/zinc/22/37/13/767223713.db2.gz ZNTJFIPMNSBLRL-XQLPTFJDSA-N 1 1 329.400 0.784 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001046445332 767230039 /nfs/dbraw/zinc/23/00/39/767230039.db2.gz CLWOUIKBAPYTRR-AWEZNQCLSA-N 1 1 325.390 0.145 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cccc(C)c1=O ZINC001089807340 767234443 /nfs/dbraw/zinc/23/44/43/767234443.db2.gz ZDPVQEBEQGVLAQ-MLHJIOFPSA-N 1 1 339.439 0.959 20 30 ECEDMO Cn1cnnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089807495 767235232 /nfs/dbraw/zinc/23/52/32/767235232.db2.gz ZTTGRQWHGBKMCH-HZMVEIRTSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1cnnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089807495 767235241 /nfs/dbraw/zinc/23/52/41/767235241.db2.gz ZTTGRQWHGBKMCH-HZMVEIRTSA-N 1 1 339.443 0.897 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn3nnnc3c1)CO2 ZINC001053891062 767247905 /nfs/dbraw/zinc/24/79/05/767247905.db2.gz PGWZJCDVSRNXER-ZDUSSCGKSA-N 1 1 328.376 0.274 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)CC[N@H+]1C ZINC001106142806 767251583 /nfs/dbraw/zinc/25/15/83/767251583.db2.gz YWSPPLZGAWXDLH-QLFBSQMISA-N 1 1 331.420 0.573 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccncn2)C1 ZINC001016911629 767266225 /nfs/dbraw/zinc/26/62/25/767266225.db2.gz KKOSQACRIPYNFL-XUJLQICISA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccncn2)C1 ZINC001016911629 767266228 /nfs/dbraw/zinc/26/62/28/767266228.db2.gz KKOSQACRIPYNFL-XUJLQICISA-N 1 1 341.415 0.293 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)CC[N@H+](C)CC)C2)CCC1 ZINC001046525947 767279316 /nfs/dbraw/zinc/27/93/16/767279316.db2.gz XGSMZJDPAQMMNZ-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046536954 767287846 /nfs/dbraw/zinc/28/78/46/767287846.db2.gz FDEASBBEUIGERD-YJBOKZPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000939498479 767295112 /nfs/dbraw/zinc/29/51/12/767295112.db2.gz GUEXCZGITNSHEH-IAQYHMDHSA-N 1 1 342.378 0.995 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(OC)nc3)C2)C1=O ZINC001031829476 767309625 /nfs/dbraw/zinc/30/96/25/767309625.db2.gz STDAHYYDQKTCDY-OAHLLOKOSA-N 1 1 344.415 0.539 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001046577563 767322788 /nfs/dbraw/zinc/32/27/88/767322788.db2.gz UILPVSLXNNGPGI-RJZRQDKASA-N 1 1 328.420 0.853 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc[nH]c1=O ZINC001089823651 767340381 /nfs/dbraw/zinc/34/03/81/767340381.db2.gz HAXLTFPRGUSFEH-XZDPQHSOSA-N 1 1 326.400 0.988 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)cn1 ZINC001089827132 767352880 /nfs/dbraw/zinc/35/28/80/767352880.db2.gz KTGZFPYWZOEKGN-FQLMCAECSA-N 1 1 326.400 0.196 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC001046605890 767356610 /nfs/dbraw/zinc/35/66/10/767356610.db2.gz YCQBNHZQKUJAOK-UGSOOPFHSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC001046605890 767356617 /nfs/dbraw/zinc/35/66/17/767356617.db2.gz YCQBNHZQKUJAOK-UGSOOPFHSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001089829365 767367626 /nfs/dbraw/zinc/36/76/26/767367626.db2.gz XWYCDKIVGPDUSS-VGWMRTNUSA-N 1 1 336.457 0.223 20 30 ECEDMO C#CCN1CC2(C1)C[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)CO2 ZINC001053923901 767370521 /nfs/dbraw/zinc/37/05/21/767370521.db2.gz FUIWOXUITMIUCC-AWEZNQCLSA-N 1 1 344.415 0.477 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1nnc3c1CCCC3)CO2 ZINC001053924221 767372328 /nfs/dbraw/zinc/37/23/28/767372328.db2.gz NVDMFLCTZQQAHP-AWEZNQCLSA-N 1 1 345.447 0.693 20 30 ECEDMO C#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924587 767373255 /nfs/dbraw/zinc/37/32/55/767373255.db2.gz XWIJIBOQNPSSMT-GJZGRUSLSA-N 1 1 328.416 0.347 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]c(=O)cc1OC)CO2 ZINC001053929260 767389544 /nfs/dbraw/zinc/38/95/44/767389544.db2.gz VNZUCQGFGIHLLK-LBPRGKRZSA-N 1 1 333.388 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncnc(CC)c1F ZINC001106154887 767391322 /nfs/dbraw/zinc/39/13/22/767391322.db2.gz QGDCRUTVJUEEKL-JSGCOSHPSA-N 1 1 349.410 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncnc(CC)c1F ZINC001106154887 767391331 /nfs/dbraw/zinc/39/13/31/767391331.db2.gz QGDCRUTVJUEEKL-JSGCOSHPSA-N 1 1 349.410 0.165 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1C(=O)CCC1=O ZINC001089832912 767397808 /nfs/dbraw/zinc/39/78/08/767397808.db2.gz BPDIKQCMHUCQAS-JONQDZQNSA-N 1 1 345.443 0.880 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106157230 767416565 /nfs/dbraw/zinc/41/65/65/767416565.db2.gz BKZUJQRUYZZBBE-HZPDHXFCSA-N 1 1 331.420 0.717 20 30 ECEDMO Cc1cc(NC[C@@H](O)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(C#N)cn1 ZINC001106157746 767421919 /nfs/dbraw/zinc/42/19/19/767421919.db2.gz JPGIMURDVFMPQZ-JKSUJKDBSA-N 1 1 345.447 0.447 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106158626 767425167 /nfs/dbraw/zinc/42/51/67/767425167.db2.gz XPNDQFFEHXNVHL-GJZGRUSLSA-N 1 1 331.420 0.717 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CCN([C@@H](C)C(N)=O)CC3)CC1 ZINC001016984069 767438099 /nfs/dbraw/zinc/43/80/99/767438099.db2.gz BXVQTPYCWHCQIJ-GOEBONIOSA-N 1 1 346.475 0.176 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001046683527 767475227 /nfs/dbraw/zinc/47/52/27/767475227.db2.gz BTGLGUUKKKVLDU-CYBMUJFWSA-N 1 1 335.448 0.374 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001046688834 767484995 /nfs/dbraw/zinc/48/49/95/767484995.db2.gz ACQBAURGWYTRJT-WBMJQRKESA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001046688834 767484999 /nfs/dbraw/zinc/48/49/99/767484999.db2.gz ACQBAURGWYTRJT-WBMJQRKESA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001046689760 767486337 /nfs/dbraw/zinc/48/63/37/767486337.db2.gz OCIKUQCJZUFDNC-KRWDZBQOSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001046689760 767486341 /nfs/dbraw/zinc/48/63/41/767486341.db2.gz OCIKUQCJZUFDNC-KRWDZBQOSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001046690641 767487450 /nfs/dbraw/zinc/48/74/50/767487450.db2.gz XEIWVJRBHFSBPP-KRWDZBQOSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001046690641 767487457 /nfs/dbraw/zinc/48/74/57/767487457.db2.gz XEIWVJRBHFSBPP-KRWDZBQOSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046691206 767489397 /nfs/dbraw/zinc/48/93/97/767489397.db2.gz HRIQVZAZEROJIT-CQSZACIVSA-N 1 1 346.431 0.410 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3n[nH]nc3C1)CO2 ZINC001053981381 767523360 /nfs/dbraw/zinc/52/33/60/767523360.db2.gz JPCYYMPUZAIVBQ-KBPBESRZSA-N 1 1 345.447 0.835 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001046740351 767568843 /nfs/dbraw/zinc/56/88/43/767568843.db2.gz RXSXPLDQILYWCT-YOEHRIQHSA-N 1 1 331.420 0.532 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)CO2 ZINC001054004944 767573717 /nfs/dbraw/zinc/57/37/17/767573717.db2.gz AWOWSEFKTQGLOI-AWEZNQCLSA-N 1 1 346.431 0.877 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)COC)C3)C1=O ZINC001054063120 767660819 /nfs/dbraw/zinc/66/08/19/767660819.db2.gz SXIASWVLZRBYFF-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001054130526 767724724 /nfs/dbraw/zinc/72/47/24/767724724.db2.gz RNDPQHHQVKXUHW-HNAYVOBHSA-N 1 1 343.427 0.520 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC(=O)N(CCOC)C1)C2 ZINC001054142175 767737551 /nfs/dbraw/zinc/73/75/51/767737551.db2.gz XZQAEVBAOUGQBB-QFBILLFUSA-N 1 1 349.475 0.982 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001054155756 767750925 /nfs/dbraw/zinc/75/09/25/767750925.db2.gz ZAWBICUEYOZCMP-LJQANCHMSA-N 1 1 348.491 0.651 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001054160609 767758439 /nfs/dbraw/zinc/75/84/39/767758439.db2.gz JMDCKSBHIKMLBM-SFHVURJKSA-N 1 1 344.415 0.287 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCS(=O)(=O)C1)C2 ZINC001054161726 767759862 /nfs/dbraw/zinc/75/98/62/767759862.db2.gz NJZQCRORRTVKKH-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCS(=O)(=O)C1)C2 ZINC001054161726 767759864 /nfs/dbraw/zinc/75/98/64/767759864.db2.gz NJZQCRORRTVKKH-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCCS1(=O)=O)C2 ZINC001054170281 767768052 /nfs/dbraw/zinc/76/80/52/767768052.db2.gz DQKKZDPRQPXCJK-NVXWUHKLSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCCS1(=O)=O)C2 ZINC001054170281 767768056 /nfs/dbraw/zinc/76/80/56/767768056.db2.gz DQKKZDPRQPXCJK-NVXWUHKLSA-N 1 1 338.473 0.901 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C(N)=O)C3)c1 ZINC001054189016 767791335 /nfs/dbraw/zinc/79/13/35/767791335.db2.gz YXKQTWTYGQIRJW-GOSISDBHSA-N 1 1 326.400 0.858 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC(=O)NC)C2)C1 ZINC001054201069 767798667 /nfs/dbraw/zinc/79/86/67/767798667.db2.gz SDUKARFVNAXNHR-VKJFTORMSA-N 1 1 335.448 0.638 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001054235037 767844498 /nfs/dbraw/zinc/84/44/98/767844498.db2.gz OCEATPNOTXWKFL-WMZOPIPTSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(=O)n(C)n1)C2 ZINC001054236750 767846632 /nfs/dbraw/zinc/84/66/32/767846632.db2.gz NDILAFHFPGTZBQ-GOSISDBHSA-N 1 1 328.416 0.732 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CCN1CCNC1=O ZINC000993200223 768449587 /nfs/dbraw/zinc/44/95/87/768449587.db2.gz MOUUXZBNMXVZAK-WFASDCNBSA-N 1 1 344.419 0.494 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001018055229 768667523 /nfs/dbraw/zinc/66/75/23/768667523.db2.gz QRAGCTVVPNGJKK-ZJPYXAASSA-N 1 1 342.443 0.987 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001018055229 768667528 /nfs/dbraw/zinc/66/75/28/768667528.db2.gz QRAGCTVVPNGJKK-ZJPYXAASSA-N 1 1 342.443 0.987 20 30 ECEDMO CCN(CCNc1nc(C)ccc1C#N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001106709694 768695839 /nfs/dbraw/zinc/69/58/39/768695839.db2.gz AMOVIYJHSMQWPW-HNNXBMFYSA-N 1 1 331.420 0.853 20 30 ECEDMO CCN(CCNc1nc(C)ccc1C#N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001106709694 768695845 /nfs/dbraw/zinc/69/58/45/768695845.db2.gz AMOVIYJHSMQWPW-HNNXBMFYSA-N 1 1 331.420 0.853 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001055273288 768729592 /nfs/dbraw/zinc/72/95/92/768729592.db2.gz QURMDSDGLQZIDF-GASCZTMLSA-N 1 1 343.431 0.759 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001055285596 768738458 /nfs/dbraw/zinc/73/84/58/768738458.db2.gz IMEWKVFRPHZCJI-OKILXGFUSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001055329266 768786933 /nfs/dbraw/zinc/78/69/33/768786933.db2.gz LRQKWKJVMAWAPN-YESZJQIVSA-N 1 1 331.460 0.904 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)C1 ZINC001055341451 768799292 /nfs/dbraw/zinc/79/92/92/768799292.db2.gz FDMGYIJMLYWSOC-DGAVXFQQSA-N 1 1 326.404 0.526 20 30 ECEDMO Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)n1 ZINC001055341528 768799880 /nfs/dbraw/zinc/79/98/80/768799880.db2.gz IDNMDGUSYAAYKA-XZDPQHSOSA-N 1 1 340.431 0.834 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993346817 768834327 /nfs/dbraw/zinc/83/43/27/768834327.db2.gz HMLZPMAVSLBCCN-BXUZGUMPSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993346817 768834338 /nfs/dbraw/zinc/83/43/38/768834338.db2.gz HMLZPMAVSLBCCN-BXUZGUMPSA-N 1 1 345.432 0.776 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001106748063 768842967 /nfs/dbraw/zinc/84/29/67/768842967.db2.gz HPMPEYCJLWGMNE-ARFHVFGLSA-N 1 1 332.448 0.922 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001018214739 768899979 /nfs/dbraw/zinc/89/99/79/768899979.db2.gz VNHCQFKHSBIDGU-IJEWVQPXSA-N 1 1 339.461 0.157 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001018214739 768899992 /nfs/dbraw/zinc/89/99/92/768899992.db2.gz VNHCQFKHSBIDGU-IJEWVQPXSA-N 1 1 339.461 0.157 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC000993371066 768900251 /nfs/dbraw/zinc/90/02/51/768900251.db2.gz YFVGYKCVRGNFGQ-OLZOCXBDSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055538647 769051123 /nfs/dbraw/zinc/05/11/23/769051123.db2.gz IXXZRCQQQMZCEJ-MRXNPFEDSA-N 1 1 336.480 0.744 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055538647 769051132 /nfs/dbraw/zinc/05/11/32/769051132.db2.gz IXXZRCQQQMZCEJ-MRXNPFEDSA-N 1 1 336.480 0.744 20 30 ECEDMO COc1cc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)on1 ZINC001055564126 769124559 /nfs/dbraw/zinc/12/45/59/769124559.db2.gz VZMXTTQWVKQUAV-NSHDSACASA-N 1 1 349.391 0.153 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H](C)OC)C2)CC1 ZINC001018357517 769181380 /nfs/dbraw/zinc/18/13/80/769181380.db2.gz GZHWRCMOUQQLNI-JKSUJKDBSA-N 1 1 335.448 0.427 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CC1 ZINC001018363048 769200168 /nfs/dbraw/zinc/20/01/68/769200168.db2.gz KOQQXAHLDSRLSS-DOTOQJQBSA-N 1 1 347.459 0.163 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CC1 ZINC001018363426 769201566 /nfs/dbraw/zinc/20/15/66/769201566.db2.gz MEQOCNUPVHAPOB-GOSISDBHSA-N 1 1 341.455 0.806 20 30 ECEDMO Cc1noc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)c1C ZINC001055593565 769206410 /nfs/dbraw/zinc/20/64/10/769206410.db2.gz LOJQLCZUIPJHDC-LLVKDONJSA-N 1 1 347.419 0.762 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001055595948 769212686 /nfs/dbraw/zinc/21/26/86/769212686.db2.gz LLWMUJIOUVZFHK-AWEZNQCLSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001055597690 769220936 /nfs/dbraw/zinc/22/09/36/769220936.db2.gz BGYQDJRDNHULQH-HOCLYGCPSA-N 1 1 349.479 0.327 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCCS3(=O)=O)C[C@H]21 ZINC001042084155 782734346 /nfs/dbraw/zinc/73/43/46/782734346.db2.gz OXKOFBQFFOSURL-UONOGXRCSA-N 1 1 327.450 0.131 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2cnco2)CC1 ZINC001055603912 769238092 /nfs/dbraw/zinc/23/80/92/769238092.db2.gz KQJZYPARNKQCEP-UHFFFAOYSA-N 1 1 330.388 0.398 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2nccs2)CC1 ZINC001055623609 769284482 /nfs/dbraw/zinc/28/44/82/769284482.db2.gz KQEQLFWFHKBHKL-UHFFFAOYSA-N 1 1 346.456 0.867 20 30 ECEDMO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2ncccn2)CC1 ZINC001055623984 769286371 /nfs/dbraw/zinc/28/63/71/769286371.db2.gz UMMPTMKYUFTFSY-UHFFFAOYSA-N 1 1 345.447 0.999 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001055630954 769301980 /nfs/dbraw/zinc/30/19/80/769301980.db2.gz AVYCNIXRYWODFO-HUUCEWRRSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001055630954 769301990 /nfs/dbraw/zinc/30/19/90/769301990.db2.gz AVYCNIXRYWODFO-HUUCEWRRSA-N 1 1 349.479 0.327 20 30 ECEDMO CCc1cc(C(=O)NC2CC[NH+](CCNC(=O)[C@H](C)C#N)CC2)no1 ZINC001055631719 769304046 /nfs/dbraw/zinc/30/40/46/769304046.db2.gz KCSHXVJHIQOIQN-GFCCVEGCSA-N 1 1 347.419 0.707 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC000993677318 769469091 /nfs/dbraw/zinc/46/90/91/769469091.db2.gz SVWQKIIKRZTKTK-YPMHNXCESA-N 1 1 342.407 0.300 20 30 ECEDMO CCCCn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078358434 782768066 /nfs/dbraw/zinc/76/80/66/782768066.db2.gz PPLMHXCROFRKLS-KGLIPLIRSA-N 1 1 349.439 0.340 20 30 ECEDMO CCn1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1 ZINC001078358546 782768865 /nfs/dbraw/zinc/76/88/65/782768865.db2.gz RJKIWZXJDDUTGQ-JSGCOSHPSA-N 1 1 334.424 0.473 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1C ZINC001078360010 782771550 /nfs/dbraw/zinc/77/15/50/782771550.db2.gz JPMSLQXAIIHMHD-KGLIPLIRSA-N 1 1 348.451 0.805 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)[nH]1 ZINC001018731218 769819682 /nfs/dbraw/zinc/81/96/82/769819682.db2.gz QPKPVCKHMJODMV-NSHDSACASA-N 1 1 326.364 0.212 20 30 ECEDMO CCn1nc(C)c(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001018730729 769819862 /nfs/dbraw/zinc/81/98/62/769819862.db2.gz GNUVAEJIYGTDAJ-ZDUSSCGKSA-N 1 1 327.392 0.811 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001055823705 769858771 /nfs/dbraw/zinc/85/87/71/769858771.db2.gz IHZLBIQFKBYYBA-YJBOKZPZSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H]1C ZINC000993921356 769883912 /nfs/dbraw/zinc/88/39/12/769883912.db2.gz XBMVBFGSUMPKBL-UKRRQHHQSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H]1C ZINC000993921356 769883921 /nfs/dbraw/zinc/88/39/21/769883921.db2.gz XBMVBFGSUMPKBL-UKRRQHHQSA-N 1 1 326.462 0.804 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1C ZINC000993921261 769884836 /nfs/dbraw/zinc/88/48/36/769884836.db2.gz WFZDBSMTYUAWGQ-KGLIPLIRSA-N 1 1 344.419 0.436 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)c1 ZINC000993951118 769935549 /nfs/dbraw/zinc/93/55/49/769935549.db2.gz IVORQADKWNEHJE-INIZCTEOSA-N 1 1 349.394 0.778 20 30 ECEDMO Cn1cnc(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1 ZINC001018809716 769974520 /nfs/dbraw/zinc/97/45/20/769974520.db2.gz LADNIBYLQXFTLB-AWEZNQCLSA-N 1 1 328.351 0.830 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001042113783 782795737 /nfs/dbraw/zinc/79/57/37/782795737.db2.gz OBLWDAAODIVUPF-SIIHOXLZSA-N 1 1 340.431 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001042115772 782797510 /nfs/dbraw/zinc/79/75/10/782797510.db2.gz BPBDTGIBZBQWGK-HOCLYGCPSA-N 1 1 326.400 0.279 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)C[C@H]21 ZINC001042116267 782798345 /nfs/dbraw/zinc/79/83/45/782798345.db2.gz AZJBLKYYZYJRCG-DZGCQCFKSA-N 1 1 339.399 0.908 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@@H]21 ZINC001042118282 782801422 /nfs/dbraw/zinc/80/14/22/782801422.db2.gz WCLSTBBSJJXSLH-HOCLYGCPSA-N 1 1 328.416 0.973 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001018863570 770129744 /nfs/dbraw/zinc/12/97/44/770129744.db2.gz WSGMTXUEQYUDKP-ZNMIVQPWSA-N 1 1 348.451 0.755 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001055910028 770176867 /nfs/dbraw/zinc/17/68/67/770176867.db2.gz FNGISPBTYCMXOT-SFHVURJKSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001055911761 770185567 /nfs/dbraw/zinc/18/55/67/770185567.db2.gz FJLWNZQRFXHCLK-IBGZPJMESA-N 1 1 349.475 0.744 20 30 ECEDMO N#Cc1nccc(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)n1 ZINC001055912388 770189121 /nfs/dbraw/zinc/18/91/21/770189121.db2.gz HZBJPBDWNSLPBM-LSDHHAIUSA-N 1 1 340.431 0.871 20 30 ECEDMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1 ZINC001078384288 782821583 /nfs/dbraw/zinc/82/15/83/782821583.db2.gz SDFZZWOWEARNNG-CQSZACIVSA-N 1 1 343.391 0.036 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000994200336 770291462 /nfs/dbraw/zinc/29/14/62/770291462.db2.gz KIBBCEABNCQMPT-ZFWWWQNUSA-N 1 1 330.432 0.812 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055939235 770294367 /nfs/dbraw/zinc/29/43/67/770294367.db2.gz UWMRDPKQXRUDTH-SFHVURJKSA-N 1 1 335.448 0.211 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H]1C ZINC000994209469 770310766 /nfs/dbraw/zinc/31/07/66/770310766.db2.gz KQKCZDCLNVTXAY-MNOVXSKESA-N 1 1 334.376 0.502 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055952306 770340636 /nfs/dbraw/zinc/34/06/36/770340636.db2.gz ATMJELALABYGEF-RDTXWAMCSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055953639 770348214 /nfs/dbraw/zinc/34/82/14/770348214.db2.gz HDGJMWFIVCPZCW-VQIMIIECSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055953636 770348877 /nfs/dbraw/zinc/34/88/77/770348877.db2.gz HDGJMWFIVCPZCW-APWZRJJASA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2nc(C)no2)C1 ZINC001018985667 770484160 /nfs/dbraw/zinc/48/41/60/770484160.db2.gz XYMRXFCZYBHVAK-SNPRPXQTSA-N 1 1 331.420 0.727 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2nc(C)no2)C1 ZINC001018985667 770484166 /nfs/dbraw/zinc/48/41/66/770484166.db2.gz XYMRXFCZYBHVAK-SNPRPXQTSA-N 1 1 331.420 0.727 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001018999580 770530494 /nfs/dbraw/zinc/53/04/94/770530494.db2.gz YETUVFFSIOJCRD-HOTGVXAUSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001056019891 770574281 /nfs/dbraw/zinc/57/42/81/770574281.db2.gz PTAAYWYCNPYWOR-YJBOKZPZSA-N 1 1 337.464 0.764 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2ncc(C#N)cc2F)CC1 ZINC001056020436 770576533 /nfs/dbraw/zinc/57/65/33/770576533.db2.gz QGBHYPHCRGHAJJ-JSGCOSHPSA-N 1 1 331.395 0.939 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001056020652 770578437 /nfs/dbraw/zinc/57/84/37/770578437.db2.gz UWWZDQCUJLGSTG-DZGCQCFKSA-N 1 1 342.447 0.757 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H]1C ZINC000994328844 770623848 /nfs/dbraw/zinc/62/38/48/770623848.db2.gz OMWMFZVAEDFFRM-DZGCQCFKSA-N 1 1 335.452 0.826 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001019038079 770624942 /nfs/dbraw/zinc/62/49/42/770624942.db2.gz ISPQMGDVCARPJR-OAGGEKHMSA-N 1 1 347.459 0.590 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001019038080 770624989 /nfs/dbraw/zinc/62/49/89/770624989.db2.gz ISPQMGDVCARPJR-XHSDSOJGSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCOc1ccccc1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001019055171 770674640 /nfs/dbraw/zinc/67/46/40/770674640.db2.gz WZVDXPJFRPYSAJ-ZDUSSCGKSA-N 1 1 342.403 0.779 20 30 ECEDMO Cc1cc(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)c(C#N)cn1 ZINC001056072376 770751832 /nfs/dbraw/zinc/75/18/32/770751832.db2.gz VTDACOKEGHKPSJ-RHSMWYFYSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1cc(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)c(C#N)cn1 ZINC001056072376 770751835 /nfs/dbraw/zinc/75/18/35/770751835.db2.gz VTDACOKEGHKPSJ-RHSMWYFYSA-N 1 1 343.431 0.629 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001056097864 770821182 /nfs/dbraw/zinc/82/11/82/770821182.db2.gz WUFUVRAQZDIGMR-CXAGYDPISA-N 1 1 336.436 0.100 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001056123718 770879019 /nfs/dbraw/zinc/87/90/19/770879019.db2.gz PJWLZARORMEKFS-QGZVFWFLSA-N 1 1 325.453 0.764 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C ZINC000994482080 770883656 /nfs/dbraw/zinc/88/36/56/770883656.db2.gz DKJGHPLMCAKFPG-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC000994486441 770891066 /nfs/dbraw/zinc/89/10/66/770891066.db2.gz LFMRJJPHNBCYLG-OLZOCXBDSA-N 1 1 334.424 0.312 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC000994486440 770891623 /nfs/dbraw/zinc/89/16/23/770891623.db2.gz LFMRJJPHNBCYLG-CHWSQXEVSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1C ZINC000994487016 770892347 /nfs/dbraw/zinc/89/23/47/770892347.db2.gz OHILNWDCVPFPJP-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](CC)OC)C2 ZINC001019143499 770916450 /nfs/dbraw/zinc/91/64/50/770916450.db2.gz OIEUYXVJAPKLPB-JKSUJKDBSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](CC)OC)C2 ZINC001019143499 770916456 /nfs/dbraw/zinc/91/64/56/770916456.db2.gz OIEUYXVJAPKLPB-JKSUJKDBSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C)C2 ZINC001019144278 770917156 /nfs/dbraw/zinc/91/71/56/770917156.db2.gz HHHPAAVVEKSFIP-OAGGEKHMSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C)C2 ZINC001019144278 770917164 /nfs/dbraw/zinc/91/71/64/770917164.db2.gz HHHPAAVVEKSFIP-OAGGEKHMSA-N 1 1 329.444 0.801 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001083754788 770929526 /nfs/dbraw/zinc/92/95/26/770929526.db2.gz TZOQYYHMDOPRJF-UAGQMJEPSA-N 1 1 349.475 0.810 20 30 ECEDMO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)ccc1C#N ZINC001056149139 770937797 /nfs/dbraw/zinc/93/77/97/770937797.db2.gz KTFJMBZDXXOGHQ-DLTWYDFYSA-N 1 1 325.416 0.907 20 30 ECEDMO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)c(C#N)cn1 ZINC001056223167 771016884 /nfs/dbraw/zinc/01/68/84/771016884.db2.gz BCTKTFCQQMMLGR-MKVSYHDVSA-N 1 1 325.416 0.764 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001056233899 771026057 /nfs/dbraw/zinc/02/60/57/771026057.db2.gz AMWYNYDNHYTVED-QDEZUTFSSA-N 1 1 340.431 0.773 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(c4ncc(C#N)cc4F)C[C@H]32)C1 ZINC001056254867 771047274 /nfs/dbraw/zinc/04/72/74/771047274.db2.gz SWBKPFPOTUMIBW-HVOFVXBASA-N 1 1 343.406 0.985 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC(C)(C)C1 ZINC001089408818 771089308 /nfs/dbraw/zinc/08/93/08/771089308.db2.gz LRKWRRFOEMHEFZ-OLZOCXBDSA-N 1 1 334.420 0.215 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089432969 771165794 /nfs/dbraw/zinc/16/57/94/771165794.db2.gz FXJCCRQIOSAQHX-ZDUSSCGKSA-N 1 1 332.404 0.189 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC)[C@H]3C2)cc1 ZINC001042180637 782900988 /nfs/dbraw/zinc/90/09/88/782900988.db2.gz WGUQUHPUYWSIIP-WBVHZDCISA-N 1 1 325.412 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC)[C@H]3C2)cc1 ZINC001042180637 782900995 /nfs/dbraw/zinc/90/09/95/782900995.db2.gz WGUQUHPUYWSIIP-WBVHZDCISA-N 1 1 325.412 0.950 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C[N@H+](C)CCC ZINC001056402246 771227655 /nfs/dbraw/zinc/22/76/55/771227655.db2.gz OAHNJOBDVYOEBR-ZACQAIPSSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C[N@H+](C)C(C)C ZINC001056405115 771233697 /nfs/dbraw/zinc/23/36/97/771233697.db2.gz IQOCTMHUNUYYHH-IAGOWNOFSA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)C1 ZINC001056406793 771235245 /nfs/dbraw/zinc/23/52/45/771235245.db2.gz FZYNOHOGSORYMK-CVGURMSBSA-N 1 1 326.404 0.241 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC001056412559 771244685 /nfs/dbraw/zinc/24/46/85/771244685.db2.gz JUXKYQAZVQISMQ-MKVSYHDVSA-N 1 1 325.416 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CCOC ZINC001056452452 771282488 /nfs/dbraw/zinc/28/24/88/771282488.db2.gz IZZPTPXWDUONOH-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CCOC ZINC001056452452 771282489 /nfs/dbraw/zinc/28/24/89/771282489.db2.gz IZZPTPXWDUONOH-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001019456420 771315712 /nfs/dbraw/zinc/31/57/12/771315712.db2.gz OJJPXYIKIXUBAA-OAGGEKHMSA-N 1 1 347.459 0.733 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nncn3C)C2)nn1 ZINC001019482420 771346419 /nfs/dbraw/zinc/34/64/19/771346419.db2.gz TYZCDYJGEVPZCD-RYUDHWBXSA-N 1 1 330.396 0.158 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1nccc(C)n1 ZINC001127511095 771396025 /nfs/dbraw/zinc/39/60/25/771396025.db2.gz HFMNOYSBNWZGAF-INIZCTEOSA-N 1 1 345.447 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1nccc(C)n1 ZINC001127511095 771396031 /nfs/dbraw/zinc/39/60/31/771396031.db2.gz HFMNOYSBNWZGAF-INIZCTEOSA-N 1 1 345.447 0.770 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC(C)(C)C1 ZINC001089541986 771427803 /nfs/dbraw/zinc/42/78/03/771427803.db2.gz PTOJFKDKAHNFOA-ZDUSSCGKSA-N 1 1 334.420 0.120 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCCO1 ZINC001089544235 771439049 /nfs/dbraw/zinc/43/90/49/771439049.db2.gz UIZIDSGZGVKNST-HNNXBMFYSA-N 1 1 346.435 0.400 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC(C)(C)C1 ZINC001089551311 771463461 /nfs/dbraw/zinc/46/34/61/771463461.db2.gz GPZORTOELGYCGX-HNNXBMFYSA-N 1 1 347.463 0.520 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089554516 771465549 /nfs/dbraw/zinc/46/55/49/771465549.db2.gz WGDCUIUNLHTBCI-GFCCVEGCSA-N 1 1 332.404 0.340 20 30 ECEDMO C[C@H]1CCCCN1C(=O)C[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031618687 771468794 /nfs/dbraw/zinc/46/87/94/771468794.db2.gz BZRWKZIHYXBTSP-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056650895 771471264 /nfs/dbraw/zinc/47/12/64/771471264.db2.gz ABNTWZMDZOWELZ-ZIAGYGMSSA-N 1 1 328.420 0.657 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561400 771494882 /nfs/dbraw/zinc/49/48/82/771494882.db2.gz PKLLZGXWZTVGAO-KGLIPLIRSA-N 1 1 343.493 0.861 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001056693557 771523562 /nfs/dbraw/zinc/52/35/62/771523562.db2.gz ZGZJYRLMPGYYJT-WFXMFSGNSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)C2CCN(C(=O)CCC)CC2)C1=O ZINC001089571228 771535880 /nfs/dbraw/zinc/53/58/80/771535880.db2.gz ZFYVCZPVGTZHJJ-INIZCTEOSA-N 1 1 337.464 0.859 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001056771418 771617765 /nfs/dbraw/zinc/61/77/65/771617765.db2.gz YQPSLNLUUFELFV-CYBMUJFWSA-N 1 1 328.420 0.515 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)cc1F ZINC001042210467 782943212 /nfs/dbraw/zinc/94/32/12/782943212.db2.gz JPXUSLPYWWTSOT-DOMZBBRYSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)cc1F ZINC001042210467 782943214 /nfs/dbraw/zinc/94/32/14/782943214.db2.gz JPXUSLPYWWTSOT-DOMZBBRYSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)c(F)c1 ZINC001042211242 782943918 /nfs/dbraw/zinc/94/39/18/782943918.db2.gz PKQINXYEQVHBND-IUODEOHRSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)c(F)c1 ZINC001042211242 782943923 /nfs/dbraw/zinc/94/39/23/782943923.db2.gz PKQINXYEQVHBND-IUODEOHRSA-N 1 1 330.363 0.605 20 30 ECEDMO CN(c1ncccc1C#N)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001056879329 771755674 /nfs/dbraw/zinc/75/56/74/771755674.db2.gz AORDUIAYNSXUFD-LSDHHAIUSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ncccc1C#N)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001056879329 771755677 /nfs/dbraw/zinc/75/56/77/771755677.db2.gz AORDUIAYNSXUFD-LSDHHAIUSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ccc(C#N)cn1)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001056879840 771756787 /nfs/dbraw/zinc/75/67/87/771756787.db2.gz NSCVGKPURYXCOR-CABCVRRESA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ccc(C#N)cn1)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001056879840 771756791 /nfs/dbraw/zinc/75/67/91/771756791.db2.gz NSCVGKPURYXCOR-CABCVRRESA-N 1 1 329.404 0.321 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056880015 771757650 /nfs/dbraw/zinc/75/76/50/771757650.db2.gz RXHOLCDQHLTFDM-LSDHHAIUSA-N 1 1 344.419 0.024 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056880015 771757656 /nfs/dbraw/zinc/75/76/56/771757656.db2.gz RXHOLCDQHLTFDM-LSDHHAIUSA-N 1 1 344.419 0.024 20 30 ECEDMO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001057006387 771936785 /nfs/dbraw/zinc/93/67/85/771936785.db2.gz RAFSPADJGFIMLA-GJZGRUSLSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3cncc(C#N)n3)C2)C1 ZINC001057030228 771967840 /nfs/dbraw/zinc/96/78/40/771967840.db2.gz YSFZYYZMTWNZPT-ZFWWWQNUSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001057053150 772002304 /nfs/dbraw/zinc/00/23/04/772002304.db2.gz XNFHMDLFYPSYFG-VHDGCEQUSA-N 1 1 328.420 0.726 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnccn2)[C@H]1C ZINC001020020953 772081223 /nfs/dbraw/zinc/08/12/23/772081223.db2.gz XXWSXNMKIGDGTO-DZKIICNBSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnccn2)[C@H]1C ZINC001020020953 772081228 /nfs/dbraw/zinc/08/12/28/772081228.db2.gz XXWSXNMKIGDGTO-DZKIICNBSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnn2C)[C@H]1C ZINC001020111679 772171434 /nfs/dbraw/zinc/17/14/34/772171434.db2.gz BKHKYAHLDNISKK-KKUMJFAQSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnn2C)[C@H]1C ZINC001020111679 772171436 /nfs/dbraw/zinc/17/14/36/772171436.db2.gz BKHKYAHLDNISKK-KKUMJFAQSA-N 1 1 343.431 0.237 20 30 ECEDMO N#Cc1ccc(N2CCCN(C(=O)CC[NH+]3CCOCC3)CC2)cn1 ZINC001057156100 772184513 /nfs/dbraw/zinc/18/45/13/772184513.db2.gz MJEZEDGXTNXFJS-UHFFFAOYSA-N 1 1 343.431 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCOC2)[C@H]1C ZINC001020138223 772204076 /nfs/dbraw/zinc/20/40/76/772204076.db2.gz ACCXBFKFQUPXLY-QAETUUGQSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCOC2)[C@H]1C ZINC001020138223 772204079 /nfs/dbraw/zinc/20/40/79/772204079.db2.gz ACCXBFKFQUPXLY-QAETUUGQSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057168425 772209049 /nfs/dbraw/zinc/20/90/49/772209049.db2.gz GASOVNWXSYVKPT-CVEARBPZSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001057173913 772214431 /nfs/dbraw/zinc/21/44/31/772214431.db2.gz JRYJPHRJVLWEQE-LSDHHAIUSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001057174096 772214970 /nfs/dbraw/zinc/21/49/70/772214970.db2.gz QJTYNJJUVLUGAG-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001057212559 772286974 /nfs/dbraw/zinc/28/69/74/772286974.db2.gz PYNFCUUNOMXMDB-PBHICJAKSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057213866 772289922 /nfs/dbraw/zinc/28/99/22/772289922.db2.gz PUAYRSAULKFMPM-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057234460 772318602 /nfs/dbraw/zinc/31/86/02/772318602.db2.gz CXKAHPMABYQXMX-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)N(C)C)[C@H]3C2)nn1 ZINC001042263644 783002006 /nfs/dbraw/zinc/00/20/06/783002006.db2.gz WVBZFAKLGFDJJJ-ZFWWWQNUSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)nn1 ZINC001042263644 783002013 /nfs/dbraw/zinc/00/20/13/783002013.db2.gz WVBZFAKLGFDJJJ-ZFWWWQNUSA-N 1 1 346.435 0.089 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3ncc(C#N)cc3F)CC2)C1 ZINC001057303259 772432461 /nfs/dbraw/zinc/43/24/61/772432461.db2.gz LJCPLHMUDRCYMA-HNNXBMFYSA-N 1 1 347.394 0.826 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3ncc(C#N)cc3F)CC2)C1 ZINC001057303259 772432465 /nfs/dbraw/zinc/43/24/65/772432465.db2.gz LJCPLHMUDRCYMA-HNNXBMFYSA-N 1 1 347.394 0.826 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C=C(CC)CC ZINC001057328811 772470917 /nfs/dbraw/zinc/47/09/17/772470917.db2.gz GDDLHCRSONFOPR-KRWDZBQOSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C=C(CC)CC ZINC001057328811 772470922 /nfs/dbraw/zinc/47/09/22/772470922.db2.gz GDDLHCRSONFOPR-KRWDZBQOSA-N 1 1 349.475 0.768 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(CNc3ccnc(C#N)n3)CC2)C1 ZINC001057501204 772690188 /nfs/dbraw/zinc/69/01/88/772690188.db2.gz APZYNWSXRCXIAB-AWEZNQCLSA-N 1 1 328.420 0.372 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001057524634 772716741 /nfs/dbraw/zinc/71/67/41/772716741.db2.gz LENZTRSGIZQNJG-UHFFFAOYSA-N 1 1 339.480 0.561 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057536450 772731618 /nfs/dbraw/zinc/73/16/18/772731618.db2.gz YJSNPSSJORAXMC-KRWDZBQOSA-N 1 1 349.475 0.600 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001057602978 772801487 /nfs/dbraw/zinc/80/14/87/772801487.db2.gz ZKSGBSWAXLXOAP-HIFRSBDPSA-N 1 1 344.419 0.390 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001057602978 772801491 /nfs/dbraw/zinc/80/14/91/772801491.db2.gz ZKSGBSWAXLXOAP-HIFRSBDPSA-N 1 1 344.419 0.390 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057655372 772872031 /nfs/dbraw/zinc/87/20/31/772872031.db2.gz ODWCLFHSLXMVPG-ZFWWWQNUSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057655372 772872035 /nfs/dbraw/zinc/87/20/35/772872035.db2.gz ODWCLFHSLXMVPG-ZFWWWQNUSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2cncc(C#N)n2)C1 ZINC001057773402 772974298 /nfs/dbraw/zinc/97/42/98/772974298.db2.gz JRSNYMXSGOPRLO-HOCLYGCPSA-N 1 1 338.415 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2cncc(C#N)n2)C1 ZINC001057773402 772974299 /nfs/dbraw/zinc/97/42/99/772974299.db2.gz JRSNYMXSGOPRLO-HOCLYGCPSA-N 1 1 338.415 0.849 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ncccc3C#N)CC2)C1 ZINC001057845456 773063478 /nfs/dbraw/zinc/06/34/78/773063478.db2.gz GVSOVGOPJQSREL-HNNXBMFYSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ncccc3C#N)CC2)C1 ZINC001057845456 773063481 /nfs/dbraw/zinc/06/34/81/773063481.db2.gz GVSOVGOPJQSREL-HNNXBMFYSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057845381 773063562 /nfs/dbraw/zinc/06/35/62/773063562.db2.gz BENNYCJYJQVVLK-INIZCTEOSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057845381 773063566 /nfs/dbraw/zinc/06/35/66/773063566.db2.gz BENNYCJYJQVVLK-INIZCTEOSA-N 1 1 329.404 0.369 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N ZINC001057874839 773110039 /nfs/dbraw/zinc/11/00/39/773110039.db2.gz CKXHGIPLHXTRTJ-HUUCEWRRSA-N 1 1 338.452 0.346 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001057876800 773115308 /nfs/dbraw/zinc/11/53/08/773115308.db2.gz SAAVWHNZHIMDBR-OAHLLOKOSA-N 1 1 344.415 0.111 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001057903675 773165472 /nfs/dbraw/zinc/16/54/72/773165472.db2.gz SUBQTCZKKHOUEH-LSDHHAIUSA-N 1 1 339.480 0.866 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1CC ZINC001057962440 773295326 /nfs/dbraw/zinc/29/53/26/773295326.db2.gz WMAKQSVMDYFUDU-OAGGEKHMSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1CC ZINC001057962440 773295330 /nfs/dbraw/zinc/29/53/30/773295330.db2.gz WMAKQSVMDYFUDU-OAGGEKHMSA-N 1 1 335.448 0.067 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058056473 773446565 /nfs/dbraw/zinc/44/65/65/773446565.db2.gz XVHIRRZJMNQHCI-CYBMUJFWSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058087028 773508481 /nfs/dbraw/zinc/50/84/81/773508481.db2.gz BAQQLWKZEMEGAA-UKRRQHHQSA-N 1 1 342.447 0.973 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058087341 773509388 /nfs/dbraw/zinc/50/93/88/773509388.db2.gz OKHRQSJKDYOEBJ-XJKSGUPXSA-N 1 1 342.447 0.973 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058134538 773604392 /nfs/dbraw/zinc/60/43/92/773604392.db2.gz HNIUHVBPZCTFLO-LSDHHAIUSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058134538 773604396 /nfs/dbraw/zinc/60/43/96/773604396.db2.gz HNIUHVBPZCTFLO-LSDHHAIUSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058167698 773684422 /nfs/dbraw/zinc/68/44/22/773684422.db2.gz JOFPCCHQFGNQBZ-NVXWUHKLSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058167698 773684424 /nfs/dbraw/zinc/68/44/24/773684424.db2.gz JOFPCCHQFGNQBZ-NVXWUHKLSA-N 1 1 343.431 0.759 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058240862 773828591 /nfs/dbraw/zinc/82/85/91/773828591.db2.gz BWQVQUPTDXEVNW-ZFWWWQNUSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC001058241519 773829457 /nfs/dbraw/zinc/82/94/57/773829457.db2.gz RXNMIAMYMAIADY-UONOGXRCSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001058258411 773860322 /nfs/dbraw/zinc/86/03/22/773860322.db2.gz VHJKAFBZSXXBFJ-VNHYZAJKSA-N 1 1 328.420 0.773 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)C2)O1 ZINC001058263868 773875106 /nfs/dbraw/zinc/87/51/06/773875106.db2.gz CCLFQIULQNNJLV-VNQPRFMTSA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)C2)O1 ZINC001058263868 773875110 /nfs/dbraw/zinc/87/51/10/773875110.db2.gz CCLFQIULQNNJLV-VNQPRFMTSA-N 1 1 343.431 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccc(OC)n2)C1 ZINC001058264221 773875383 /nfs/dbraw/zinc/87/53/83/773875383.db2.gz QJFHWOVCHJUTSK-CABCVRRESA-N 1 1 343.431 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccc(OC)n2)C1 ZINC001058264221 773875387 /nfs/dbraw/zinc/87/53/87/773875387.db2.gz QJFHWOVCHJUTSK-CABCVRRESA-N 1 1 343.431 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ncc(F)cn2)C1 ZINC001058264006 773875769 /nfs/dbraw/zinc/87/57/69/773875769.db2.gz ITEJZFKWOZFPKB-GJZGRUSLSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ncc(F)cn2)C1 ZINC001058264006 773875776 /nfs/dbraw/zinc/87/57/76/773875776.db2.gz ITEJZFKWOZFPKB-GJZGRUSLSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccnc2F)C1 ZINC001058264432 773876487 /nfs/dbraw/zinc/87/64/87/773876487.db2.gz ZINPJFKHSBZQPM-KGLIPLIRSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccnc2F)C1 ZINC001058264432 773876493 /nfs/dbraw/zinc/87/64/93/773876493.db2.gz ZINPJFKHSBZQPM-KGLIPLIRSA-N 1 1 331.395 0.798 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058303884 773938002 /nfs/dbraw/zinc/93/80/02/773938002.db2.gz NGPGCUXOIHYTCW-CQSZACIVSA-N 1 1 325.453 0.478 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C=C ZINC001058305920 773941926 /nfs/dbraw/zinc/94/19/26/773941926.db2.gz NDHRQECOUPDKNQ-HNNXBMFYSA-N 1 1 335.448 0.233 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C=C ZINC001058305920 773941932 /nfs/dbraw/zinc/94/19/32/773941932.db2.gz NDHRQECOUPDKNQ-HNNXBMFYSA-N 1 1 335.448 0.233 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058317428 773962653 /nfs/dbraw/zinc/96/26/53/773962653.db2.gz WKYHBWRZXRFTAC-CABCVRRESA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058317428 773962656 /nfs/dbraw/zinc/96/26/56/773962656.db2.gz WKYHBWRZXRFTAC-CABCVRRESA-N 1 1 329.404 0.287 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3nc(C)ccc3C#N)C2)C1 ZINC001058376177 774059894 /nfs/dbraw/zinc/05/98/94/774059894.db2.gz GVFBUYQATNMSHE-JKSUJKDBSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3nc(C)ccc3C#N)C2)C1 ZINC001058376177 774059899 /nfs/dbraw/zinc/05/98/99/774059899.db2.gz GVFBUYQATNMSHE-JKSUJKDBSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3cc(C)ncc3C#N)C2)C1 ZINC001058376639 774061214 /nfs/dbraw/zinc/06/12/14/774061214.db2.gz RTCFRACBNKYKGG-WBVHZDCISA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3cc(C)ncc3C#N)C2)C1 ZINC001058376639 774061222 /nfs/dbraw/zinc/06/12/22/774061222.db2.gz RTCFRACBNKYKGG-WBVHZDCISA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058381370 774068111 /nfs/dbraw/zinc/06/81/11/774068111.db2.gz GUSLAYGDYNISGC-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 ZINC001058480375 774269227 /nfs/dbraw/zinc/26/92/27/774269227.db2.gz JZECVPAFARIZTO-QGZVFWFLSA-N 1 1 349.475 0.459 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001039830980 783170099 /nfs/dbraw/zinc/17/00/99/783170099.db2.gz MVQFRUMUIOQBLT-RDTXWAMCSA-N 1 1 346.431 0.471 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058521069 774352165 /nfs/dbraw/zinc/35/21/65/774352165.db2.gz DRGZWLKAMDVUNU-CVEARBPZSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058521069 774352173 /nfs/dbraw/zinc/35/21/73/774352173.db2.gz DRGZWLKAMDVUNU-CVEARBPZSA-N 1 1 343.431 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncnc3nc[nH]c32)C1 ZINC001058589395 774491355 /nfs/dbraw/zinc/49/13/55/774491355.db2.gz BXTHLJAWMSBLHA-OLZOCXBDSA-N 1 1 339.403 0.145 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncnc3nc[nH]c32)C1 ZINC001058589395 774491356 /nfs/dbraw/zinc/49/13/56/774491356.db2.gz BXTHLJAWMSBLHA-OLZOCXBDSA-N 1 1 339.403 0.145 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)c(C#N)cn1 ZINC001044779181 774603047 /nfs/dbraw/zinc/60/30/47/774603047.db2.gz UXDKXPNVEOQAQN-INMHGKMJSA-N 1 1 343.431 0.412 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001044978970 774792230 /nfs/dbraw/zinc/79/22/30/774792230.db2.gz BNMMMKJIUIDRRU-KGLIPLIRSA-N 1 1 325.453 0.476 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C2CC2)c1 ZINC001044983991 774799087 /nfs/dbraw/zinc/79/90/87/774799087.db2.gz UXGQHXZSTLETIQ-ZDUSSCGKSA-N 1 1 340.391 0.602 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001044998281 774814529 /nfs/dbraw/zinc/81/45/29/774814529.db2.gz AKJVHWBCSKYILT-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001045003034 774821298 /nfs/dbraw/zinc/82/12/98/774821298.db2.gz KVFUZXFDMZUYKL-UHFFFAOYSA-N 1 1 332.404 0.075 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001045059204 774911219 /nfs/dbraw/zinc/91/12/19/774911219.db2.gz OCTDPHBDIHQCRE-QAPCUYQASA-N 1 1 349.475 0.764 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001045059928 774913242 /nfs/dbraw/zinc/91/32/42/774913242.db2.gz YQACWXBEIHGGBT-HUUCEWRRSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1ncccn1 ZINC001045073982 774936268 /nfs/dbraw/zinc/93/62/68/774936268.db2.gz USMHUPBCZVWOMR-HOTGVXAUSA-N 1 1 327.432 0.655 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1ncccn1 ZINC001045073982 774936273 /nfs/dbraw/zinc/93/62/73/774936273.db2.gz USMHUPBCZVWOMR-HOTGVXAUSA-N 1 1 327.432 0.655 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001045208074 775149353 /nfs/dbraw/zinc/14/93/53/775149353.db2.gz URMGFXSDDARJKC-XHSDSOJGSA-N 1 1 333.436 0.970 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(CC)CC)C1 ZINC001045325414 775421129 /nfs/dbraw/zinc/42/11/29/775421129.db2.gz SCDOXYDBZHRFEH-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(CC)CC)C1 ZINC001045325414 775421136 /nfs/dbraw/zinc/42/11/36/775421136.db2.gz SCDOXYDBZHRFEH-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)co2)[C@@H](n2ccnn2)C1 ZINC001070023076 790358874 /nfs/dbraw/zinc/35/88/74/790358874.db2.gz AHFYELUJSUHUTR-OLZOCXBDSA-N 1 1 344.375 0.201 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)co2)[C@@H](n2ccnn2)C1 ZINC001070023076 790358885 /nfs/dbraw/zinc/35/88/85/790358885.db2.gz AHFYELUJSUHUTR-OLZOCXBDSA-N 1 1 344.375 0.201 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCC=C)C[C@@H]2n2ccnn2)c1 ZINC001070022526 790354288 /nfs/dbraw/zinc/35/42/88/790354288.db2.gz UQTSCMXXUUALRE-SJORKVTESA-N 1 1 336.399 0.886 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001043993437 775476291 /nfs/dbraw/zinc/47/62/91/775476291.db2.gz XCPOGYHJULDAFB-ZACQAIPSSA-N 1 1 343.431 0.493 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044006969 775495774 /nfs/dbraw/zinc/49/57/74/775495774.db2.gz AQCNAVVRKCXVGV-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070025686 790369683 /nfs/dbraw/zinc/36/96/83/790369683.db2.gz DSFWOQJHGWMOEC-KEYYUXOJSA-N 1 1 346.435 0.112 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001045459040 775641704 /nfs/dbraw/zinc/64/17/04/775641704.db2.gz RKQNWCLVPSVWCO-GASCZTMLSA-N 1 1 337.464 0.905 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001045551244 775779380 /nfs/dbraw/zinc/77/93/80/775779380.db2.gz GNHVDJMYZHASDN-DZGCQCFKSA-N 1 1 348.447 0.243 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044302981 776101745 /nfs/dbraw/zinc/10/17/45/776101745.db2.gz QCHALLHINFOESW-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001044484063 776346728 /nfs/dbraw/zinc/34/67/28/776346728.db2.gz HBGBFPMXVZQETE-HZPDHXFCSA-N 1 1 349.475 0.600 20 30 ECEDMO Cc1nc(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)ccc1C#N ZINC001044546769 776416767 /nfs/dbraw/zinc/41/67/67/776416767.db2.gz HVTSFDQNNXOXDQ-WQVCFCJDSA-N 1 1 343.431 0.269 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@@](C)(O)C=C)C1 ZINC001079690285 776693983 /nfs/dbraw/zinc/69/39/83/776693983.db2.gz UBHCRJNPUIMPPS-LPHOPBHVSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@@](C)(O)C=C)C1 ZINC001079690285 776693988 /nfs/dbraw/zinc/69/39/88/776693988.db2.gz UBHCRJNPUIMPPS-LPHOPBHVSA-N 1 1 347.459 0.470 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 ZINC001044725341 776701545 /nfs/dbraw/zinc/70/15/45/776701545.db2.gz IAOFVBCSUPNSQY-CQSZACIVSA-N 1 1 338.452 0.348 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001079773822 776842970 /nfs/dbraw/zinc/84/29/70/776842970.db2.gz ZVEZNZHURMKJRI-UHFFFAOYSA-N 1 1 332.404 0.291 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001079799267 776893392 /nfs/dbraw/zinc/89/33/92/776893392.db2.gz XZFINQGCAJYRBB-XOKHGSTOSA-N 1 1 340.427 0.973 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001079799267 776893397 /nfs/dbraw/zinc/89/33/97/776893397.db2.gz XZFINQGCAJYRBB-XOKHGSTOSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001079808418 776914969 /nfs/dbraw/zinc/91/49/69/776914969.db2.gz QLPHGTPHBJJNEZ-CYBMUJFWSA-N 1 1 332.404 0.289 20 30 ECEDMO C#CCCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001079865291 776998266 /nfs/dbraw/zinc/99/82/66/776998266.db2.gz BPLYCOYXLBSTKZ-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001079865291 776998269 /nfs/dbraw/zinc/99/82/69/776998269.db2.gz BPLYCOYXLBSTKZ-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1C ZINC001079878282 777011368 /nfs/dbraw/zinc/01/13/68/777011368.db2.gz QDGRLWNRSCOQGB-OAGGEKHMSA-N 1 1 327.432 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1C ZINC001079878282 777011374 /nfs/dbraw/zinc/01/13/74/777011374.db2.gz QDGRLWNRSCOQGB-OAGGEKHMSA-N 1 1 327.432 0.511 20 30 ECEDMO C#CCN1CCC(C(=O)N(CC)C2CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001079923879 777090542 /nfs/dbraw/zinc/09/05/42/777090542.db2.gz BTSQAVMROSMKPF-UHFFFAOYSA-N 1 1 348.491 0.343 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccsn3)C2)C1=O ZINC001079934376 777109886 /nfs/dbraw/zinc/10/98/86/777109886.db2.gz NGVAUDFYWAUAQQ-BNOWGMLFSA-N 1 1 334.445 0.980 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccsn3)C2)C1=O ZINC001079934376 777109894 /nfs/dbraw/zinc/10/98/94/777109894.db2.gz NGVAUDFYWAUAQQ-BNOWGMLFSA-N 1 1 334.445 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@H](C)OC)C1 ZINC001080008837 777220805 /nfs/dbraw/zinc/22/08/05/777220805.db2.gz FTKKGCPJHKUTDK-HOCLYGCPSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@H](C)OC)C1 ZINC001080008837 777220813 /nfs/dbraw/zinc/22/08/13/777220813.db2.gz FTKKGCPJHKUTDK-HOCLYGCPSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001080012561 777227653 /nfs/dbraw/zinc/22/76/53/777227653.db2.gz FVUKNXKRUHGWJS-MRXNPFEDSA-N 1 1 349.475 0.960 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001080036332 777281079 /nfs/dbraw/zinc/28/10/79/777281079.db2.gz QVUJDZUNGYLKQL-GHMZBOCLSA-N 1 1 327.406 0.553 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@@H]2n2ccnn2)nc1 ZINC001070078906 790529765 /nfs/dbraw/zinc/52/97/65/790529765.db2.gz WNNTXMNMWRZASD-SJORKVTESA-N 1 1 338.415 0.966 20 30 ECEDMO C#CCCCCC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070081576 790538806 /nfs/dbraw/zinc/53/88/06/790538806.db2.gz CZLDGKRSMHTYIA-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001080177655 777507342 /nfs/dbraw/zinc/50/73/42/777507342.db2.gz VLJURKWDGJJBIG-TVFCKZIOSA-N 1 1 349.475 0.326 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001080197990 777539833 /nfs/dbraw/zinc/53/98/33/777539833.db2.gz UJRYVILVQVMTIK-MGPQQGTHSA-N 1 1 329.391 0.412 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080346905 777722674 /nfs/dbraw/zinc/72/26/74/777722674.db2.gz VJTPQESVZUGPJI-MLGOLLRUSA-N 1 1 337.383 0.892 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080346905 777722680 /nfs/dbraw/zinc/72/26/80/777722680.db2.gz VJTPQESVZUGPJI-MLGOLLRUSA-N 1 1 337.383 0.892 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1Nc1ccc(C#N)cn1 ZINC001043105141 777734692 /nfs/dbraw/zinc/73/46/92/777734692.db2.gz WVSYCKCTBOBCAQ-BPLDGKMQSA-N 1 1 329.404 0.543 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1Nc1ccc(C#N)cn1 ZINC001043105141 777734700 /nfs/dbraw/zinc/73/47/00/777734700.db2.gz WVSYCKCTBOBCAQ-BPLDGKMQSA-N 1 1 329.404 0.543 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080361015 777748314 /nfs/dbraw/zinc/74/83/14/777748314.db2.gz QIJQDKIKQKNRHW-VCTAVGKDSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080361015 777748322 /nfs/dbraw/zinc/74/83/22/777748322.db2.gz QIJQDKIKQKNRHW-VCTAVGKDSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360910 777748423 /nfs/dbraw/zinc/74/84/23/777748423.db2.gz NDQOUWZJZKNHTE-OASPWFOLSA-N 1 1 333.417 0.238 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360910 777748429 /nfs/dbraw/zinc/74/84/29/777748429.db2.gz NDQOUWZJZKNHTE-OASPWFOLSA-N 1 1 333.417 0.238 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043133990 777798529 /nfs/dbraw/zinc/79/85/29/777798529.db2.gz YDKKESNRLZAYEJ-QWHCGFSZSA-N 1 1 334.420 0.339 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)c1 ZINC001080408533 777809558 /nfs/dbraw/zinc/80/95/58/777809558.db2.gz JHPDXNGRHUMOMG-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2C)c1 ZINC001080408533 777809565 /nfs/dbraw/zinc/80/95/65/777809565.db2.gz JHPDXNGRHUMOMG-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)c1 ZINC001080410704 777811065 /nfs/dbraw/zinc/81/10/65/777811065.db2.gz OPFVXNWPUHETRI-DAXOMENPSA-N 1 1 326.400 0.344 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)c1 ZINC001080410704 777811074 /nfs/dbraw/zinc/81/10/74/777811074.db2.gz OPFVXNWPUHETRI-DAXOMENPSA-N 1 1 326.400 0.344 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(C#N)n2)C1 ZINC001043206534 777957676 /nfs/dbraw/zinc/95/76/76/777957676.db2.gz QSYGXDKETNQAEK-BXUZGUMPSA-N 1 1 325.376 0.812 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001080557826 778026342 /nfs/dbraw/zinc/02/63/42/778026342.db2.gz FREOPBLDUSMNIR-HOCLYGCPSA-N 1 1 335.448 0.283 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070095062 790586136 /nfs/dbraw/zinc/58/61/36/790586136.db2.gz SMTPJJNBGFHTDN-CABCVRRESA-N 1 1 343.435 0.976 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070095062 790586142 /nfs/dbraw/zinc/58/61/42/790586142.db2.gz SMTPJJNBGFHTDN-CABCVRRESA-N 1 1 343.435 0.976 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043262216 778063479 /nfs/dbraw/zinc/06/34/79/778063479.db2.gz AWTDUFQCVRETQQ-ZIAGYGMSSA-N 1 1 337.464 0.618 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001043311100 778139993 /nfs/dbraw/zinc/13/99/93/778139993.db2.gz OSHNATMOSYOFLG-KRWDZBQOSA-N 1 1 335.448 0.518 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CCC1 ZINC001043353005 778211993 /nfs/dbraw/zinc/21/19/93/778211993.db2.gz OXHFLOOUPHPBSS-HUUCEWRRSA-N 1 1 347.459 0.210 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C#CC1CC1)O2 ZINC001068572002 790604974 /nfs/dbraw/zinc/60/49/74/790604974.db2.gz ZXQQJVQDAMKTEV-JKSUJKDBSA-N 1 1 345.443 0.370 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001043416217 778293330 /nfs/dbraw/zinc/29/33/30/778293330.db2.gz VBZOIAHVTNGMTG-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001043432786 778323265 /nfs/dbraw/zinc/32/32/65/778323265.db2.gz LDZPPBALHBTKKN-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 ZINC001043463876 778378236 /nfs/dbraw/zinc/37/82/36/778378236.db2.gz QOEDHGLGSDSKKD-INIZCTEOSA-N 1 1 347.459 0.352 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043464501 778378864 /nfs/dbraw/zinc/37/88/64/778378864.db2.gz WLZIZMMKFKWLPA-HNNXBMFYSA-N 1 1 337.464 0.905 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043466837 778383252 /nfs/dbraw/zinc/38/32/52/778383252.db2.gz VALPLZZSLXUGKD-CBBWQLFWSA-N 1 1 342.447 0.759 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070110745 790638268 /nfs/dbraw/zinc/63/82/68/790638268.db2.gz GINNJFBOPAWEBS-HNNXBMFYSA-N 1 1 333.432 0.276 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001043799364 778884251 /nfs/dbraw/zinc/88/42/51/778884251.db2.gz CDAICYHJMOXZGP-INIZCTEOSA-N 1 1 349.475 0.456 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNc3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001068610742 790703498 /nfs/dbraw/zinc/70/34/98/790703498.db2.gz RRHDSCYDCHIGOJ-RGCMKSIDSA-N 1 1 328.420 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccncc2C#N)C1 ZINC001068614751 790713706 /nfs/dbraw/zinc/71/37/06/790713706.db2.gz FSGAMYYKTLDRHK-ZVZYQTTQSA-N 1 1 337.427 0.779 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccncc2C#N)C1 ZINC001068614751 790713719 /nfs/dbraw/zinc/71/37/19/790713719.db2.gz FSGAMYYKTLDRHK-ZVZYQTTQSA-N 1 1 337.427 0.779 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)C[N@@H+](C)C(C)C)CCOCC1 ZINC001070143982 790741007 /nfs/dbraw/zinc/74/10/07/790741007.db2.gz HNKYAKHWEPSCHO-UHFFFAOYSA-N 1 1 337.464 0.768 20 30 ECEDMO C=CCOCC(=O)NCC1(NC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC001070144131 790741263 /nfs/dbraw/zinc/74/12/63/790741263.db2.gz SZUNVUHHNUNVPL-UHFFFAOYSA-N 1 1 341.452 0.311 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC001042301432 780023207 /nfs/dbraw/zinc/02/32/07/780023207.db2.gz IBFWCQYONFCFPG-KBPBESRZSA-N 1 1 346.431 0.263 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 ZINC001042309273 780044768 /nfs/dbraw/zinc/04/47/68/780044768.db2.gz BLDNSEONQFTMFJ-KGLIPLIRSA-N 1 1 334.420 0.379 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]21 ZINC001042311002 780048774 /nfs/dbraw/zinc/04/87/74/780048774.db2.gz CVLYSWGBXRNFOZ-GXTWGEPZSA-N 1 1 342.403 0.530 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]21 ZINC001042311183 780049471 /nfs/dbraw/zinc/04/94/71/780049471.db2.gz GWDIBXZWFUMRQR-JSGCOSHPSA-N 1 1 325.372 0.605 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 ZINC001042311004 780049578 /nfs/dbraw/zinc/04/95/78/780049578.db2.gz CVLYSWGBXRNFOZ-OCCSQVGLSA-N 1 1 342.403 0.530 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]21 ZINC001042315914 780060855 /nfs/dbraw/zinc/06/08/55/780060855.db2.gz FDIQMQJJROKETO-CVEARBPZSA-N 1 1 328.416 0.498 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 ZINC001042344905 780108297 /nfs/dbraw/zinc/10/82/97/780108297.db2.gz DFHIONPTLANSOK-GJZGRUSLSA-N 1 1 348.447 0.769 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@@H]21 ZINC001042345757 780108972 /nfs/dbraw/zinc/10/89/72/780108972.db2.gz NFETYKSCMZQETG-ZBFHGGJFSA-N 1 1 332.448 0.723 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001042348172 780114060 /nfs/dbraw/zinc/11/40/60/780114060.db2.gz GWCVWORAHPKLDU-CHWSQXEVSA-N 1 1 327.388 0.135 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@H]21 ZINC001042358729 780140539 /nfs/dbraw/zinc/14/05/39/780140539.db2.gz UBJLGYITIYUBIZ-HUUCEWRRSA-N 1 1 338.415 0.613 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]21 ZINC001042374199 780163115 /nfs/dbraw/zinc/16/31/15/780163115.db2.gz JWCUDCBJJCOVCM-BBRMVZONSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC2CCC2)C1 ZINC001042412430 780222405 /nfs/dbraw/zinc/22/24/05/780222405.db2.gz HLIGHLQOAXEEFE-INIZCTEOSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC2CCC2)C1 ZINC001042412430 780222415 /nfs/dbraw/zinc/22/24/15/780222415.db2.gz HLIGHLQOAXEEFE-INIZCTEOSA-N 1 1 347.459 0.354 20 30 ECEDMO Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070157010 790778265 /nfs/dbraw/zinc/77/82/65/790778265.db2.gz FPXBZGCAGJWOGM-DFBGVHRSSA-N 1 1 340.391 0.078 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(F)=C(C)C)C1 ZINC001042518275 780378915 /nfs/dbraw/zinc/37/89/15/780378915.db2.gz CHKDLMNPBVWDFA-ZDUSSCGKSA-N 1 1 337.395 0.037 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(F)=C(C)C)C1 ZINC001042518275 780378921 /nfs/dbraw/zinc/37/89/21/780378921.db2.gz CHKDLMNPBVWDFA-ZDUSSCGKSA-N 1 1 337.395 0.037 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2cc(C#N)ccc2F)C1 ZINC001042573176 780465214 /nfs/dbraw/zinc/46/52/14/780465214.db2.gz FPSLIWZFJVOYCP-QGZVFWFLSA-N 1 1 346.406 0.671 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2cc(C#N)ccc2F)C1 ZINC001042573176 780465219 /nfs/dbraw/zinc/46/52/19/780465219.db2.gz FPSLIWZFJVOYCP-QGZVFWFLSA-N 1 1 346.406 0.671 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001042663831 780607307 /nfs/dbraw/zinc/60/73/07/780607307.db2.gz HHWOYNURKMIUNR-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001078960501 780655328 /nfs/dbraw/zinc/65/53/28/780655328.db2.gz WCDLRZHWDPKLQY-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO CN(c1ccnc(C#N)n1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001068657234 790819276 /nfs/dbraw/zinc/81/92/76/790819276.db2.gz OHMWDHMQEDXBBN-AWEZNQCLSA-N 1 1 328.420 0.870 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001042849978 780941664 /nfs/dbraw/zinc/94/16/64/780941664.db2.gz ZQRVMKFKSBBYSY-DLBZAZTESA-N 1 1 348.491 0.790 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042862254 780956657 /nfs/dbraw/zinc/95/66/57/780956657.db2.gz ZQYBBABAABLVCP-NUEKZKHPSA-N 1 1 343.431 0.615 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001042942964 781077269 /nfs/dbraw/zinc/07/72/69/781077269.db2.gz IDMJZSBGTKIEIR-HOTGVXAUSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ncnn2CC)C1 ZINC001042960063 781101863 /nfs/dbraw/zinc/10/18/63/781101863.db2.gz LABUDRFYGGYZKL-HNNXBMFYSA-N 1 1 330.436 0.038 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ncnn2CC)C1 ZINC001042960063 781101867 /nfs/dbraw/zinc/10/18/67/781101867.db2.gz LABUDRFYGGYZKL-HNNXBMFYSA-N 1 1 330.436 0.038 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](CC)OCC)C1 ZINC001079428463 781108852 /nfs/dbraw/zinc/10/88/52/781108852.db2.gz DVXZEGYTRDKACA-DLBZAZTESA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](CC)OCC)C1 ZINC001079428463 781108854 /nfs/dbraw/zinc/10/88/54/781108854.db2.gz DVXZEGYTRDKACA-DLBZAZTESA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001079434317 781112903 /nfs/dbraw/zinc/11/29/03/781112903.db2.gz IYFSXUIHUFULDG-KBRIMQKVSA-N 1 1 329.400 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001079453488 781136124 /nfs/dbraw/zinc/13/61/24/781136124.db2.gz QPHUKRDQQDLMTF-DAXOMENPSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001079453488 781136131 /nfs/dbraw/zinc/13/61/31/781136131.db2.gz QPHUKRDQQDLMTF-DAXOMENPSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001079467464 781153545 /nfs/dbraw/zinc/15/35/45/781153545.db2.gz IOHSWVZPOHEQCB-BZUAXINKSA-N 1 1 345.447 0.415 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001043023763 781203966 /nfs/dbraw/zinc/20/39/66/781203966.db2.gz QEXAONCFUZPJAV-INIZCTEOSA-N 1 1 349.475 0.598 20 30 ECEDMO CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001079539512 781240491 /nfs/dbraw/zinc/24/04/91/781240491.db2.gz IYTMUPNZQPTNOU-DAXOMENPSA-N 1 1 343.431 0.946 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001079539512 781240494 /nfs/dbraw/zinc/24/04/94/781240494.db2.gz IYTMUPNZQPTNOU-DAXOMENPSA-N 1 1 343.431 0.946 20 30 ECEDMO C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079543857 781247203 /nfs/dbraw/zinc/24/72/03/781247203.db2.gz WLWFSFUCUJKOQR-MLGOLLRUSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079543857 781247210 /nfs/dbraw/zinc/24/72/10/781247210.db2.gz WLWFSFUCUJKOQR-MLGOLLRUSA-N 1 1 343.431 0.995 20 30 ECEDMO CN(c1ccc(C#N)nn1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001068679174 790878806 /nfs/dbraw/zinc/87/88/06/790878806.db2.gz MOXKKHXYJCKWRP-ZDUSSCGKSA-N 1 1 328.420 0.727 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)c1 ZINC001077648438 781422506 /nfs/dbraw/zinc/42/25/06/781422506.db2.gz KLBCHGOGFDVJHY-USXIJHARSA-N 1 1 329.400 0.264 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001077651223 781427187 /nfs/dbraw/zinc/42/71/87/781427187.db2.gz YWBHXRATWPTASQ-IAGOWNOFSA-N 1 1 345.443 0.846 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001041396340 781429510 /nfs/dbraw/zinc/42/95/10/781429510.db2.gz DIWSQBMTJVSREV-DTZQCDIJSA-N 1 1 343.431 0.268 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001077658523 781444806 /nfs/dbraw/zinc/44/48/06/781444806.db2.gz CDZLQNSWZUJGDG-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001077658523 781444810 /nfs/dbraw/zinc/44/48/10/781444810.db2.gz CDZLQNSWZUJGDG-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)C1 ZINC001041406041 781445266 /nfs/dbraw/zinc/44/52/66/781445266.db2.gz ICVPTOKICSSENH-VNHYZAJKSA-N 1 1 346.349 0.890 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O ZINC001077676757 781484543 /nfs/dbraw/zinc/48/45/43/781484543.db2.gz ILDQWZWDXSQIMU-QXAKKESOSA-N 1 1 341.455 0.684 20 30 ECEDMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077690122 781520454 /nfs/dbraw/zinc/52/04/54/781520454.db2.gz XTTZRMOVYUFOSR-YYQUZTFQSA-N 1 1 329.400 0.645 20 30 ECEDMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077690122 781520462 /nfs/dbraw/zinc/52/04/62/781520462.db2.gz XTTZRMOVYUFOSR-YYQUZTFQSA-N 1 1 329.400 0.645 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001077703275 781547844 /nfs/dbraw/zinc/54/78/44/781547844.db2.gz LZILPQPCWGLPGA-ZIAGYGMSSA-N 1 1 330.413 0.936 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cnc4c(c3)nnn4C)C2)C1 ZINC001041475107 781587907 /nfs/dbraw/zinc/58/79/07/781587907.db2.gz HUUQFMWYWJWPOW-SFHVURJKSA-N 1 1 338.415 0.925 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041541256 781733600 /nfs/dbraw/zinc/73/36/00/781733600.db2.gz VNAQIMVMXKNUKW-GOSISDBHSA-N 1 1 334.464 0.309 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001077825042 781764458 /nfs/dbraw/zinc/76/44/58/781764458.db2.gz AKPBQKRUGOXTDL-BRWVUGGUSA-N 1 1 337.464 0.905 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001077849858 781815285 /nfs/dbraw/zinc/81/52/85/781815285.db2.gz RVVQCVQRWGIVHK-ZIAGYGMSSA-N 1 1 328.372 0.141 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2Br)C1 ZINC001077855642 781823864 /nfs/dbraw/zinc/82/38/64/781823864.db2.gz HRUPGLRSZBBDSJ-GHMZBOCLSA-N 1 1 343.225 0.913 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)c(F)c1 ZINC001041622693 781872903 /nfs/dbraw/zinc/87/29/03/781872903.db2.gz JYXYWCDJDREZFE-KRWDZBQOSA-N 1 1 330.363 0.607 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001077904361 781909722 /nfs/dbraw/zinc/90/97/22/781909722.db2.gz XZBHUGNRPRRXBC-HUUCEWRRSA-N 1 1 327.388 0.075 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001077904361 781909730 /nfs/dbraw/zinc/90/97/30/781909730.db2.gz XZBHUGNRPRRXBC-HUUCEWRRSA-N 1 1 327.388 0.075 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001039922852 783298044 /nfs/dbraw/zinc/29/80/44/783298044.db2.gz IKZXEAXVRRCHCA-TWMKSMIVSA-N 1 1 345.447 0.935 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001039922852 783298050 /nfs/dbraw/zinc/29/80/50/783298050.db2.gz IKZXEAXVRRCHCA-TWMKSMIVSA-N 1 1 345.447 0.935 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001040767219 783395332 /nfs/dbraw/zinc/39/53/32/783395332.db2.gz WUPZMAHOZNEUBC-SUMWQHHRSA-N 1 1 347.419 0.246 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2(CNC(=O)C#CC3CC3)CCOCC2)C1 ZINC001070172739 783591628 /nfs/dbraw/zinc/59/16/28/783591628.db2.gz LONUETGGXPRFMI-INIZCTEOSA-N 1 1 347.459 0.523 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ncccc2O)C[C@@H]1n1ccnn1 ZINC001070180700 783606326 /nfs/dbraw/zinc/60/63/26/783606326.db2.gz AUFIZMTWRDSKCP-NEPJUHHUSA-N 1 1 348.794 0.787 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1n1ccnn1 ZINC001070191645 783625129 /nfs/dbraw/zinc/62/51/29/783625129.db2.gz KZSPWCFSJPXNFN-NEPJUHHUSA-N 1 1 335.799 0.717 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 ZINC001070233030 783709847 /nfs/dbraw/zinc/70/98/47/783709847.db2.gz XUXSDGFKFCJFPI-ZDUSSCGKSA-N 1 1 338.452 0.658 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070289733 783795933 /nfs/dbraw/zinc/79/59/33/783795933.db2.gz SQIYFWRQGDLJIW-PMPSAXMXSA-N 1 1 345.451 0.406 20 30 ECEDMO C=CCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001070361155 783894024 /nfs/dbraw/zinc/89/40/24/783894024.db2.gz KQRLREXAYXHFRL-RDBSUJKOSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1C[C@@H](OC)C[C@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070361155 783894028 /nfs/dbraw/zinc/89/40/28/783894028.db2.gz KQRLREXAYXHFRL-RDBSUJKOSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1C[C@@H](OC)C[C@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070361155 783894030 /nfs/dbraw/zinc/89/40/30/783894030.db2.gz KQRLREXAYXHFRL-RDBSUJKOSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1C[C@@H](OC)C[C@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001070361155 783894034 /nfs/dbraw/zinc/89/40/34/783894034.db2.gz KQRLREXAYXHFRL-RDBSUJKOSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1C[C@@H](OC)C[C@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070361155 783894037 /nfs/dbraw/zinc/89/40/37/783894037.db2.gz KQRLREXAYXHFRL-RDBSUJKOSA-N 1 1 348.451 0.320 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccccc2C#N)C1 ZINC001038136209 783902777 /nfs/dbraw/zinc/90/27/77/783902777.db2.gz LCYMGNWYWYCNOU-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccccc2C#N)C1 ZINC001038136209 783902784 /nfs/dbraw/zinc/90/27/84/783902784.db2.gz LCYMGNWYWYCNOU-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cn(C)cn2)C1 ZINC001070385264 783927872 /nfs/dbraw/zinc/92/78/72/783927872.db2.gz KCJNDSPAYSXGRL-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cn(C)cn2)C1 ZINC001070385264 783927878 /nfs/dbraw/zinc/92/78/78/783927878.db2.gz KCJNDSPAYSXGRL-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](c3n[nH]cc3CNC(C)=O)C2)C1=O ZINC001070390409 783941819 /nfs/dbraw/zinc/94/18/19/783941819.db2.gz SFBYTFQQUQZGFD-UKRRQHHQSA-N 1 1 331.420 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](c3n[nH]cc3CNC(C)=O)C2)C1=O ZINC001070390410 783942250 /nfs/dbraw/zinc/94/22/50/783942250.db2.gz SFBYTFQQUQZGFD-ZFWWWQNUSA-N 1 1 331.420 0.622 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C[C@H]2CCNC(=O)CC2)[nH]1 ZINC001038173236 783948654 /nfs/dbraw/zinc/94/86/54/783948654.db2.gz NDDOKTSTTLHPRI-TZMCWYRMSA-N 1 1 329.404 0.607 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001070400358 783968661 /nfs/dbraw/zinc/96/86/61/783968661.db2.gz WFCCVLOYAQGUIL-GXTWGEPZSA-N 1 1 331.420 0.670 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nccnc2N)C1 ZINC001070401997 783972255 /nfs/dbraw/zinc/97/22/55/783972255.db2.gz YPHCHRLBTAZFBL-NSHDSACASA-N 1 1 325.376 0.134 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001070402936 783975070 /nfs/dbraw/zinc/97/50/70/783975070.db2.gz IEJYKJVKEXXFQU-DZGCQCFKSA-N 1 1 333.436 0.332 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001070403226 783977248 /nfs/dbraw/zinc/97/72/48/783977248.db2.gz NXCOWRWEICJBGS-GOEBONIOSA-N 1 1 347.463 0.722 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001070403388 783978499 /nfs/dbraw/zinc/97/84/99/783978499.db2.gz RJXLAHFLVIQSMH-GOEBONIOSA-N 1 1 347.463 0.722 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001070403456 783978722 /nfs/dbraw/zinc/97/87/22/783978722.db2.gz SXKINUJQUCXFRC-ZDUSSCGKSA-N 1 1 325.372 0.863 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)cn2)C1 ZINC001070403460 783979187 /nfs/dbraw/zinc/97/91/87/783979187.db2.gz SYYQKBCXGKPTCM-ZDUSSCGKSA-N 1 1 326.404 0.886 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2C)C1 ZINC001070404831 783982607 /nfs/dbraw/zinc/98/26/07/783982607.db2.gz QIBFYWCEVVFDSW-GOEBONIOSA-N 1 1 347.463 0.722 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnnn2C)C1 ZINC001070407280 783990985 /nfs/dbraw/zinc/99/09/85/783990985.db2.gz BDLODCFNHUDJGK-GFCCVEGCSA-N 1 1 327.392 0.281 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn3ccncc23)C1 ZINC001070413117 784008304 /nfs/dbraw/zinc/00/83/04/784008304.db2.gz UDQFPNRDRNCSNP-CYBMUJFWSA-N 1 1 349.398 0.805 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001070414226 784012065 /nfs/dbraw/zinc/01/20/65/784012065.db2.gz ICKVBDOUWFDDKT-QWHCGFSZSA-N 1 1 331.420 0.527 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001070422572 784033774 /nfs/dbraw/zinc/03/37/74/784033774.db2.gz CKWMMUMRXDEXTO-AAEUAGOBSA-N 1 1 332.408 0.073 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001070426831 784043549 /nfs/dbraw/zinc/04/35/49/784043549.db2.gz ZPXDJFFYPJVLDP-RDBSUJKOSA-N 1 1 343.431 0.350 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001070432883 784058320 /nfs/dbraw/zinc/05/83/20/784058320.db2.gz TXUTVRLVKXKACT-LBPRGKRZSA-N 1 1 342.403 0.409 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cnns1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442632 784085295 /nfs/dbraw/zinc/08/52/95/784085295.db2.gz LALMFPRMXKXPQS-NSHDSACASA-N 1 1 345.432 0.692 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070443187 784088796 /nfs/dbraw/zinc/08/87/96/784088796.db2.gz ZWCDCZCACLHCLF-CABCVRRESA-N 1 1 345.447 0.954 20 30 ECEDMO COCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913251 784103771 /nfs/dbraw/zinc/10/37/71/784103771.db2.gz GOCDMLRZONIPDE-OAGGEKHMSA-N 1 1 347.415 0.152 20 30 ECEDMO COCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913251 784103773 /nfs/dbraw/zinc/10/37/73/784103773.db2.gz GOCDMLRZONIPDE-OAGGEKHMSA-N 1 1 347.415 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)COCCC)C1 ZINC001070921575 784118704 /nfs/dbraw/zinc/11/87/04/784118704.db2.gz DSKNCQMHBFLAQC-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)COCCC)C1 ZINC001070921575 784118709 /nfs/dbraw/zinc/11/87/09/784118709.db2.gz DSKNCQMHBFLAQC-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CSCC#N)C2)CC[N@H+]1C ZINC001070454663 784121861 /nfs/dbraw/zinc/12/18/61/784121861.db2.gz LFHSMNWNYBKDQW-MGPQQGTHSA-N 1 1 338.477 0.691 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCn2cccn2)CC1 ZINC001070940872 784173109 /nfs/dbraw/zinc/17/31/09/784173109.db2.gz ZCKDRBMOSHTPJU-UHFFFAOYSA-N 1 1 333.436 0.500 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCn2cccn2)CC1 ZINC001070940872 784173110 /nfs/dbraw/zinc/17/31/10/784173110.db2.gz ZCKDRBMOSHTPJU-UHFFFAOYSA-N 1 1 333.436 0.500 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cn(C)cn1 ZINC001070497491 784192946 /nfs/dbraw/zinc/19/29/46/784192946.db2.gz GVFUBXRKVYIMIW-GXTWGEPZSA-N 1 1 349.826 0.348 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2nccnc2N)CC1 ZINC001070949722 784202288 /nfs/dbraw/zinc/20/22/88/784202288.db2.gz UCKVMYZJAJVBML-UHFFFAOYSA-N 1 1 346.435 0.289 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2nccnc2N)CC1 ZINC001070949722 784202294 /nfs/dbraw/zinc/20/22/94/784202294.db2.gz UCKVMYZJAJVBML-UHFFFAOYSA-N 1 1 346.435 0.289 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CCCCO2)CC1 ZINC001070952957 784209100 /nfs/dbraw/zinc/20/91/00/784209100.db2.gz QPMKMQBQJGDVAV-INIZCTEOSA-N 1 1 335.448 0.619 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CCCCO2)CC1 ZINC001070952957 784209105 /nfs/dbraw/zinc/20/91/05/784209105.db2.gz QPMKMQBQJGDVAV-INIZCTEOSA-N 1 1 335.448 0.619 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001070953328 784210908 /nfs/dbraw/zinc/21/09/08/784210908.db2.gz HWESTCJKDWWEOT-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cncnc2)CC1 ZINC001070958601 784228538 /nfs/dbraw/zinc/22/85/38/784228538.db2.gz JDZPDUCXIOISJP-UHFFFAOYSA-N 1 1 331.420 0.246 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cncnc2)CC1 ZINC001070958553 784228745 /nfs/dbraw/zinc/22/87/45/784228745.db2.gz GRPRSIOWJNUMGG-UHFFFAOYSA-N 1 1 345.447 0.636 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H](NCC#N)C2)CC[N@H+]1C ZINC001070526580 784231170 /nfs/dbraw/zinc/23/11/70/784231170.db2.gz RGPIOSLXYVVGLA-QBYUYEEZSA-N 1 1 344.463 0.558 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001070963271 784242127 /nfs/dbraw/zinc/24/21/27/784242127.db2.gz JZRQNDJYALVZCK-KRWDZBQOSA-N 1 1 348.491 0.533 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001070967991 784258685 /nfs/dbraw/zinc/25/86/85/784258685.db2.gz IGRWGSFXZXYXRP-KRWDZBQOSA-N 1 1 348.491 0.535 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC(=O)NCC[N@@H+](C[C@@H](C)O)CC1 ZINC001070970479 784269313 /nfs/dbraw/zinc/26/93/13/784269313.db2.gz HMGDNRHZXJIPLW-OAHLLOKOSA-N 1 1 348.447 0.319 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC(=O)NCC[N@H+](C[C@@H](C)O)CC1 ZINC001070970479 784269318 /nfs/dbraw/zinc/26/93/18/784269318.db2.gz HMGDNRHZXJIPLW-OAHLLOKOSA-N 1 1 348.447 0.319 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001070971678 784274484 /nfs/dbraw/zinc/27/44/84/784274484.db2.gz MCPAAHYVJWTHSI-OAHLLOKOSA-N 1 1 335.452 0.035 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001070972816 784279553 /nfs/dbraw/zinc/27/95/53/784279553.db2.gz NHUJQTNNEDJQND-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001070972814 784280125 /nfs/dbraw/zinc/28/01/25/784280125.db2.gz NHUJQTNNEDJQND-IAGOWNOFSA-N 1 1 346.475 0.287 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2[nH]c(=O)[nH]c2C)CC1 ZINC001070972837 784280374 /nfs/dbraw/zinc/28/03/74/784280374.db2.gz ODQIQLDLJDRVFB-UHFFFAOYSA-N 1 1 335.408 0.264 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1 ZINC001070980128 784307682 /nfs/dbraw/zinc/30/76/82/784307682.db2.gz QVTGDVYPDLNHMC-UHFFFAOYSA-N 1 1 346.431 0.556 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](OC)C2CCC2)CC1 ZINC001070982834 784316058 /nfs/dbraw/zinc/31/60/58/784316058.db2.gz PCVZCOLEDNPUAK-KRWDZBQOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](OC)C2CCC2)CC1 ZINC001070982834 784316064 /nfs/dbraw/zinc/31/60/64/784316064.db2.gz PCVZCOLEDNPUAK-KRWDZBQOSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCc2nc(C)no2)CC1 ZINC001070983011 784316535 /nfs/dbraw/zinc/31/65/35/784316535.db2.gz YFPUXIXZUILQSV-UHFFFAOYSA-N 1 1 349.435 0.537 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCc2nc(C)no2)CC1 ZINC001070983011 784316545 /nfs/dbraw/zinc/31/65/45/784316545.db2.gz YFPUXIXZUILQSV-UHFFFAOYSA-N 1 1 349.435 0.537 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001070985547 784326855 /nfs/dbraw/zinc/32/68/55/784326855.db2.gz QVOIMKKKQCQFQM-GFCCVEGCSA-N 1 1 333.354 0.859 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001070985547 784326863 /nfs/dbraw/zinc/32/68/63/784326863.db2.gz QVOIMKKKQCQFQM-GFCCVEGCSA-N 1 1 333.354 0.859 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(=O)NCC[N@@H+](CCCF)CC2)c1 ZINC001070997593 784360996 /nfs/dbraw/zinc/36/09/96/784360996.db2.gz QWDBSFXRUVZIFX-UHFFFAOYSA-N 1 1 346.406 0.687 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(=O)NCC[N@H+](CCCF)CC2)c1 ZINC001070997593 784361004 /nfs/dbraw/zinc/36/10/04/784361004.db2.gz QWDBSFXRUVZIFX-UHFFFAOYSA-N 1 1 346.406 0.687 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(=O)NCC[N@@H+](CCCC)CC2)nn1 ZINC001071007434 784391161 /nfs/dbraw/zinc/39/11/61/784391161.db2.gz NLVARRBSUNCUTB-UHFFFAOYSA-N 1 1 348.451 0.528 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(=O)NCC[N@H+](CCCC)CC2)nn1 ZINC001071007434 784391170 /nfs/dbraw/zinc/39/11/70/784391170.db2.gz NLVARRBSUNCUTB-UHFFFAOYSA-N 1 1 348.451 0.528 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@H](C)C2)CC1 ZINC001071009355 784399869 /nfs/dbraw/zinc/39/98/69/784399869.db2.gz MOERHBFSBSZTES-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@H](C)C2)CC1 ZINC001071009355 784399879 /nfs/dbraw/zinc/39/98/79/784399879.db2.gz MOERHBFSBSZTES-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cocn2)n1 ZINC001070595544 784404201 /nfs/dbraw/zinc/40/42/01/784404201.db2.gz GLYPSCOKDMARAU-STQMWFEESA-N 1 1 329.360 0.846 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2COC(=O)N2)n1 ZINC001070596429 784406150 /nfs/dbraw/zinc/40/61/50/784406150.db2.gz GKTFXYXVUYAYBL-RWMBFGLXSA-N 1 1 349.391 0.205 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)CN2CCCC2)n1 ZINC001070599245 784411314 /nfs/dbraw/zinc/41/13/14/784411314.db2.gz PQTUPOQFEIKDON-HOTGVXAUSA-N 1 1 345.447 0.640 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(CC)c2)CC1 ZINC001071014470 784416624 /nfs/dbraw/zinc/41/66/24/784416624.db2.gz PTODPVGAGTXHIX-UHFFFAOYSA-N 1 1 347.463 0.672 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(CC)c2)CC1 ZINC001071014470 784416633 /nfs/dbraw/zinc/41/66/33/784416633.db2.gz PTODPVGAGTXHIX-UHFFFAOYSA-N 1 1 347.463 0.672 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071015590 784421425 /nfs/dbraw/zinc/42/14/25/784421425.db2.gz KZTQWSVVWDZQFD-INIZCTEOSA-N 1 1 334.464 0.002 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2c[nH]cn2)n1 ZINC001070605146 784425614 /nfs/dbraw/zinc/42/56/14/784425614.db2.gz DGFXLTHRITVXQJ-LSDHHAIUSA-N 1 1 342.403 0.510 20 30 ECEDMO C#CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2cnc[nH]2)n1 ZINC001070605146 784425624 /nfs/dbraw/zinc/42/56/24/784425624.db2.gz DGFXLTHRITVXQJ-LSDHHAIUSA-N 1 1 342.403 0.510 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2cnc[nH]2)n1 ZINC001070605146 784425628 /nfs/dbraw/zinc/42/56/28/784425628.db2.gz DGFXLTHRITVXQJ-LSDHHAIUSA-N 1 1 342.403 0.510 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncccc2OC)CC1 ZINC001071017164 784428137 /nfs/dbraw/zinc/42/81/37/784428137.db2.gz JFOFOTUGKOPWTG-UHFFFAOYSA-N 1 1 346.431 0.930 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ncccc2OC)CC1 ZINC001071017164 784428139 /nfs/dbraw/zinc/42/81/39/784428139.db2.gz JFOFOTUGKOPWTG-UHFFFAOYSA-N 1 1 346.431 0.930 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2[nH]cnc2C)CC1 ZINC001071025596 784453785 /nfs/dbraw/zinc/45/37/85/784453785.db2.gz NRIGGQJLVQDDJP-UHFFFAOYSA-N 1 1 333.436 0.948 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ncnn2C)CC1 ZINC001071044050 784474896 /nfs/dbraw/zinc/47/48/96/784474896.db2.gz DSYOILASAIDWLA-XPKDYRNWSA-N 1 1 346.435 0.460 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001071051610 784483754 /nfs/dbraw/zinc/48/37/54/784483754.db2.gz HRSJTZLXMIKUAZ-MRXNPFEDSA-N 1 1 337.464 0.865 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001071053043 784488275 /nfs/dbraw/zinc/48/82/75/784488275.db2.gz YPAPQTJCHHREBC-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1 ZINC001070644977 784489037 /nfs/dbraw/zinc/48/90/37/784489037.db2.gz HCLKHMOOCPPJCD-OAGGEKHMSA-N 1 1 344.463 0.700 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)[nH]n1)C[C@H](C)O2 ZINC001071129498 784569981 /nfs/dbraw/zinc/56/99/81/784569981.db2.gz MBRVNAMEIHHLQJ-SUMWQHHRSA-N 1 1 330.388 0.511 20 30 ECEDMO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071154751 784617270 /nfs/dbraw/zinc/61/72/70/784617270.db2.gz PFZXTNYMJXVQSG-SUMWQHHRSA-N 1 1 332.404 0.574 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001070730751 784618115 /nfs/dbraw/zinc/61/81/15/784618115.db2.gz RIBONHVBXOSKAV-SJORKVTESA-N 1 1 345.443 0.231 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001070730751 784618120 /nfs/dbraw/zinc/61/81/20/784618120.db2.gz RIBONHVBXOSKAV-SJORKVTESA-N 1 1 345.443 0.231 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)C[C@H](C)O2 ZINC001071160171 784629395 /nfs/dbraw/zinc/62/93/95/784629395.db2.gz ZEGQVAGJTMGTAT-RDJZCZTQSA-N 1 1 331.420 0.383 20 30 ECEDMO C=CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001070736147 784635203 /nfs/dbraw/zinc/63/52/03/784635203.db2.gz QWVSVJGQBORBJY-RWMBFGLXSA-N 1 1 336.415 0.644 20 30 ECEDMO C=CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070736147 784635208 /nfs/dbraw/zinc/63/52/08/784635208.db2.gz QWVSVJGQBORBJY-RWMBFGLXSA-N 1 1 336.415 0.644 20 30 ECEDMO C=CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070736147 784635213 /nfs/dbraw/zinc/63/52/13/784635213.db2.gz QWVSVJGQBORBJY-RWMBFGLXSA-N 1 1 336.415 0.644 20 30 ECEDMO C=CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070736147 784635222 /nfs/dbraw/zinc/63/52/22/784635222.db2.gz QWVSVJGQBORBJY-RWMBFGLXSA-N 1 1 336.415 0.644 20 30 ECEDMO C=CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001070736147 784635229 /nfs/dbraw/zinc/63/52/29/784635229.db2.gz QWVSVJGQBORBJY-RWMBFGLXSA-N 1 1 336.415 0.644 20 30 ECEDMO CC#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001070735914 784635828 /nfs/dbraw/zinc/63/58/28/784635828.db2.gz FVBKZYXQLMRWOL-HZSPNIEDSA-N 1 1 348.426 0.481 20 30 ECEDMO CC#CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070735914 784635832 /nfs/dbraw/zinc/63/58/32/784635832.db2.gz FVBKZYXQLMRWOL-HZSPNIEDSA-N 1 1 348.426 0.481 20 30 ECEDMO CC#CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070735914 784635836 /nfs/dbraw/zinc/63/58/36/784635836.db2.gz FVBKZYXQLMRWOL-HZSPNIEDSA-N 1 1 348.426 0.481 20 30 ECEDMO CC#CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001070735914 784635839 /nfs/dbraw/zinc/63/58/39/784635839.db2.gz FVBKZYXQLMRWOL-HZSPNIEDSA-N 1 1 348.426 0.481 20 30 ECEDMO CC#CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070735914 784635843 /nfs/dbraw/zinc/63/58/43/784635843.db2.gz FVBKZYXQLMRWOL-HZSPNIEDSA-N 1 1 348.426 0.481 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(N(C)C)cn1)C[C@@H](C)O2 ZINC001071168967 784646341 /nfs/dbraw/zinc/64/63/41/784646341.db2.gz KFZGJRVNDJYXNN-KDOFPFPSSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(N(C)C)cn1)C[C@@H](C)O2 ZINC001071168967 784646344 /nfs/dbraw/zinc/64/63/44/784646344.db2.gz KFZGJRVNDJYXNN-KDOFPFPSSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc3[nH]cnc31)C[C@@H](C)O2 ZINC001071173236 784658675 /nfs/dbraw/zinc/65/86/75/784658675.db2.gz FVDIOVBAHQVTLB-FZKQIMNGSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc3[nH]cnc31)C[C@@H](C)O2 ZINC001071173236 784658680 /nfs/dbraw/zinc/65/86/80/784658680.db2.gz FVDIOVBAHQVTLB-FZKQIMNGSA-N 1 1 339.399 0.897 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070758324 784658967 /nfs/dbraw/zinc/65/89/67/784658967.db2.gz YIHYYENSNSZCTO-RHSMWYFYSA-N 1 1 334.420 0.626 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@@H](C)O2 ZINC001071175511 784663754 /nfs/dbraw/zinc/66/37/54/784663754.db2.gz FVCNHOQZZHKXCX-KDOFPFPSSA-N 1 1 344.415 0.604 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn[nH]c(=O)c1)C[C@H](C)O2 ZINC001071177780 784669800 /nfs/dbraw/zinc/66/98/00/784669800.db2.gz GFECYGANZCFQIT-GUYCJALGSA-N 1 1 330.388 0.511 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1nc(CC)c[nH]1)C[C@H](C)O2 ZINC001071177844 784670061 /nfs/dbraw/zinc/67/00/61/784670061.db2.gz GYYJQJCJTVBOTQ-KSSFIOAISA-N 1 1 330.432 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3n1CCC3)C[C@@H](C)O2 ZINC001071177967 784670155 /nfs/dbraw/zinc/67/01/55/784670155.db2.gz IQNLYSICKMGTLD-KDOFPFPSSA-N 1 1 328.416 0.768 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@H](C)O2 ZINC001071199369 784719703 /nfs/dbraw/zinc/71/97/03/784719703.db2.gz LCOIJOQMZMLRCM-KBXCAEBGSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@H](C)O2 ZINC001071198952 784719956 /nfs/dbraw/zinc/71/99/56/784719956.db2.gz HQCCGVUIZOLCEA-SUMWQHHRSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@H](C)O2 ZINC001071198952 784719961 /nfs/dbraw/zinc/71/99/61/784719961.db2.gz HQCCGVUIZOLCEA-SUMWQHHRSA-N 1 1 332.404 0.367 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@@H](C)O2 ZINC001071201869 784724930 /nfs/dbraw/zinc/72/49/30/784724930.db2.gz MDSPGRLQOILXHP-SJKOYZFVSA-N 1 1 332.404 0.982 20 30 ECEDMO C#CCC1(C(=O)N2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CCC1 ZINC001070834640 784725126 /nfs/dbraw/zinc/72/51/26/784725126.db2.gz RDIADMUNZTZTGX-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC1(C(=O)N2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CCC1 ZINC001070834640 784725127 /nfs/dbraw/zinc/72/51/27/784725127.db2.gz RDIADMUNZTZTGX-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@@H](C)O2 ZINC001071202752 784725965 /nfs/dbraw/zinc/72/59/65/784725965.db2.gz ZJBJWJAXCHDBEU-FZKQIMNGSA-N 1 1 344.415 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@H](C)O2 ZINC001071208953 784739835 /nfs/dbraw/zinc/73/98/35/784739835.db2.gz BWBDCCNLXHTGSX-SJCJKPOMSA-N 1 1 330.388 0.052 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@H](C)O2 ZINC001071212153 784746895 /nfs/dbraw/zinc/74/68/95/784746895.db2.gz SNYQSRAVFMEFHM-KSSFIOAISA-N 1 1 331.416 0.877 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@H](C)O2 ZINC001071212151 784748289 /nfs/dbraw/zinc/74/82/89/784748289.db2.gz SNYQSRAVFMEFHM-KBXCAEBGSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@H+](CC#CC)C3)C2)nn1 ZINC001071216514 784757034 /nfs/dbraw/zinc/75/70/34/784757034.db2.gz RJNYZRYEYGEILT-CRAIPNDOSA-N 1 1 343.431 0.793 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@H](C)O2 ZINC001071218060 784761305 /nfs/dbraw/zinc/76/13/05/784761305.db2.gz IEEGUOCEGTVPCM-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)C[C@H](C)O2 ZINC001071218315 784762111 /nfs/dbraw/zinc/76/21/11/784762111.db2.gz LRRGMGGLJBCEAP-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@H](C)O2 ZINC001071219720 784765700 /nfs/dbraw/zinc/76/57/00/784765700.db2.gz XNUWOIQEIIXZJR-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cnnn1)C[C@@H](C)O2 ZINC001071222589 784775703 /nfs/dbraw/zinc/77/57/03/784775703.db2.gz DRLGKEDIEIIFEJ-GDBMZVCRSA-N 1 1 334.424 0.331 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@@H](C)O2 ZINC001071226068 784782836 /nfs/dbraw/zinc/78/28/36/784782836.db2.gz USTVYZFGHRBMBO-FZKQIMNGSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@H](C)O2 ZINC001071227494 784787003 /nfs/dbraw/zinc/78/70/03/784787003.db2.gz GJCZOWCEJGVREW-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@H](C)O2 ZINC001071230088 784792057 /nfs/dbraw/zinc/79/20/57/784792057.db2.gz FHRDXZWATKXKPJ-SUMWQHHRSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@H](C)O2 ZINC001071230088 784792063 /nfs/dbraw/zinc/79/20/63/784792063.db2.gz FHRDXZWATKXKPJ-SUMWQHHRSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nn(C)c1F)C[C@@H](C)O2 ZINC001071234258 784798741 /nfs/dbraw/zinc/79/87/41/784798741.db2.gz VYAKBYZEWWLDML-SJKOYZFVSA-N 1 1 334.395 0.806 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nn(C)c1F)C[C@@H](C)O2 ZINC001071234258 784798750 /nfs/dbraw/zinc/79/87/50/784798750.db2.gz VYAKBYZEWWLDML-SJKOYZFVSA-N 1 1 334.395 0.806 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@@H](C)O2 ZINC001071236106 784803064 /nfs/dbraw/zinc/80/30/64/784803064.db2.gz PWRWZYCNLRINOA-DYVFJYSZSA-N 1 1 327.388 0.601 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@@H](C)O2 ZINC001071236106 784803074 /nfs/dbraw/zinc/80/30/74/784803074.db2.gz PWRWZYCNLRINOA-DYVFJYSZSA-N 1 1 327.388 0.601 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1C(=O)CCC1=O)C[C@@H](C)O2 ZINC001071238621 784808287 /nfs/dbraw/zinc/80/82/87/784808287.db2.gz OTNVLXDBVUPNMA-KDOFPFPSSA-N 1 1 349.431 0.403 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@@H](C)O2 ZINC001071241177 784815795 /nfs/dbraw/zinc/81/57/95/784815795.db2.gz PQFZKYZHBPHZOJ-ACJLOTCBSA-N 1 1 344.415 0.442 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@@H](C)O2 ZINC001071241487 784817457 /nfs/dbraw/zinc/81/74/57/784817457.db2.gz VYXOSGIWYGZVMZ-SJKOYZFVSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@H](C)O2 ZINC001071244465 784821894 /nfs/dbraw/zinc/82/18/94/784821894.db2.gz VNLKNNKODCSIQX-SUMWQHHRSA-N 1 1 334.420 0.215 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)cs1)C[C@@H](C)O2 ZINC001071244428 784822856 /nfs/dbraw/zinc/82/28/56/784822856.db2.gz UVNUZQDTWYAMBN-SJKOYZFVSA-N 1 1 347.440 0.786 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)cs1)C[C@@H](C)O2 ZINC001071244428 784822867 /nfs/dbraw/zinc/82/28/67/784822867.db2.gz UVNUZQDTWYAMBN-SJKOYZFVSA-N 1 1 347.440 0.786 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(C(N)=O)c1)C[C@H](C)O2 ZINC001071244540 784823777 /nfs/dbraw/zinc/82/37/77/784823777.db2.gz WQYLUMNFNPLVQZ-SCLBCKFNSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(C(N)=O)c1)C[C@H](C)O2 ZINC001071244540 784823786 /nfs/dbraw/zinc/82/37/86/784823786.db2.gz WQYLUMNFNPLVQZ-SCLBCKFNSA-N 1 1 342.399 0.119 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1)C1CCC1 ZINC001071265651 784889947 /nfs/dbraw/zinc/88/99/47/784889947.db2.gz PEHDDEKTINLAFX-INIZCTEOSA-N 1 1 347.463 0.129 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cncn3C)C2)C(=O)C1 ZINC001071267695 784894131 /nfs/dbraw/zinc/89/41/31/784894131.db2.gz OUZIBRIAPWPWRU-OAHLLOKOSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cncn3C)C2)C(=O)C1 ZINC001071267695 784894139 /nfs/dbraw/zinc/89/41/39/784894139.db2.gz OUZIBRIAPWPWRU-OAHLLOKOSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cncn3C)C2)C(=O)C1 ZINC001071267694 784894631 /nfs/dbraw/zinc/89/46/31/784894631.db2.gz OUZIBRIAPWPWRU-HNNXBMFYSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cncn3C)C2)C(=O)C1 ZINC001071267694 784894637 /nfs/dbraw/zinc/89/46/37/784894637.db2.gz OUZIBRIAPWPWRU-HNNXBMFYSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068757599 791080248 /nfs/dbraw/zinc/08/02/48/791080248.db2.gz YADGIPKLYVGYPE-RBSFLKMASA-N 1 1 335.448 0.779 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071437409 785085907 /nfs/dbraw/zinc/08/59/07/785085907.db2.gz GIYBWIGZABYKIP-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CC(=O)NC1CC1 ZINC001071437409 785085921 /nfs/dbraw/zinc/08/59/21/785085921.db2.gz GIYBWIGZABYKIP-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001071810916 785139129 /nfs/dbraw/zinc/13/91/29/785139129.db2.gz FILDAXJXTJXNOI-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@H]1C ZINC001071621925 785406769 /nfs/dbraw/zinc/40/67/69/785406769.db2.gz DPBNPJUZRRJIIB-PWSUYJOCSA-N 1 1 327.406 0.696 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@H]1C ZINC001071644624 785439462 /nfs/dbraw/zinc/43/94/62/785439462.db2.gz ATHUEYSKFVUXIU-NEPJUHHUSA-N 1 1 339.417 0.533 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@H]1C ZINC001071646199 785441864 /nfs/dbraw/zinc/44/18/64/785441864.db2.gz UBKSKXKVUNFZOT-GHMZBOCLSA-N 1 1 327.406 0.696 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001072096608 785662078 /nfs/dbraw/zinc/66/20/78/785662078.db2.gz BMHIZGGFOHRBLV-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001072283045 785968550 /nfs/dbraw/zinc/96/85/50/785968550.db2.gz NGJDWOONJORQMM-DOMZBBRYSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1NC(=O)CSCC#N ZINC001072317618 786031009 /nfs/dbraw/zinc/03/10/09/786031009.db2.gz RRHIUFLAGQDMJK-JSGCOSHPSA-N 1 1 338.477 0.691 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001072336091 786041852 /nfs/dbraw/zinc/04/18/52/786041852.db2.gz IUDOAMKJEBVYRT-HIFRSBDPSA-N 1 1 334.420 0.747 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001072357977 786075196 /nfs/dbraw/zinc/07/51/96/786075196.db2.gz IUCZKMFHJQSKQT-CABCVRRESA-N 1 1 337.464 0.720 20 30 ECEDMO CC#CCCCC(=O)N[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001072393460 786126560 /nfs/dbraw/zinc/12/65/60/786126560.db2.gz OCJNIRPULAQFEO-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001072393458 786126697 /nfs/dbraw/zinc/12/66/97/786126697.db2.gz OCJNIRPULAQFEO-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001072479190 786247420 /nfs/dbraw/zinc/24/74/20/786247420.db2.gz TXBKEMZFPBDSRM-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C)c1 ZINC001072480656 786251661 /nfs/dbraw/zinc/25/16/61/786251661.db2.gz HRCMCSLTZSSRIR-RHSMWYFYSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ccn[nH]4)C3)C2)C1=O ZINC001072498149 786285205 /nfs/dbraw/zinc/28/52/05/786285205.db2.gz NWINZPFUQFINJB-CQSZACIVSA-N 1 1 329.404 0.345 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)c4cc[nH]n4)C3)C2)C1=O ZINC001072498149 786285206 /nfs/dbraw/zinc/28/52/06/786285206.db2.gz NWINZPFUQFINJB-CQSZACIVSA-N 1 1 329.404 0.345 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cc[nH]n4)C3)C2)C1=O ZINC001072498149 786285210 /nfs/dbraw/zinc/28/52/10/786285210.db2.gz NWINZPFUQFINJB-CQSZACIVSA-N 1 1 329.404 0.345 20 30 ECEDMO COc1coc(C[N@@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)cc1=O ZINC001072544090 786349283 /nfs/dbraw/zinc/34/92/83/786349283.db2.gz AQLQJNUYVLYVCQ-GFCCVEGCSA-N 1 1 331.372 0.842 20 30 ECEDMO COc1coc(C[N@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)cc1=O ZINC001072544090 786349285 /nfs/dbraw/zinc/34/92/85/786349285.db2.gz AQLQJNUYVLYVCQ-GFCCVEGCSA-N 1 1 331.372 0.842 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001072555118 786363041 /nfs/dbraw/zinc/36/30/41/786363041.db2.gz LNKUJOBWXGOVDX-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC001073495978 786429429 /nfs/dbraw/zinc/42/94/29/786429429.db2.gz ZLDPUABMMLLWKO-AWEZNQCLSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC001073495978 786429432 /nfs/dbraw/zinc/42/94/32/786429432.db2.gz ZLDPUABMMLLWKO-AWEZNQCLSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001074211726 786445317 /nfs/dbraw/zinc/44/53/17/786445317.db2.gz DFWHJLHFWYCGJM-ZIAGYGMSSA-N 1 1 335.408 0.252 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001074211726 786445322 /nfs/dbraw/zinc/44/53/22/786445322.db2.gz DFWHJLHFWYCGJM-ZIAGYGMSSA-N 1 1 335.408 0.252 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001073551076 786561565 /nfs/dbraw/zinc/56/15/65/786561565.db2.gz AKPRSJFPRBDDBI-UHFFFAOYSA-N 1 1 336.480 0.649 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 ZINC001074301552 786630276 /nfs/dbraw/zinc/63/02/76/786630276.db2.gz CKOSYXWTGLJRDP-HZPDHXFCSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 ZINC001074301552 786630281 /nfs/dbraw/zinc/63/02/81/786630281.db2.gz CKOSYXWTGLJRDP-HZPDHXFCSA-N 1 1 346.431 0.662 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073567896 786631258 /nfs/dbraw/zinc/63/12/58/786631258.db2.gz FKVXBBDUIDRHNG-TZMCWYRMSA-N 1 1 347.419 0.184 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073567896 786631264 /nfs/dbraw/zinc/63/12/64/786631264.db2.gz FKVXBBDUIDRHNG-TZMCWYRMSA-N 1 1 347.419 0.184 20 30 ECEDMO Cn1nccc1C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574525 786653441 /nfs/dbraw/zinc/65/34/41/786653441.db2.gz USXDTWCTCNINDJ-HNNXBMFYSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1nccc1C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574525 786653447 /nfs/dbraw/zinc/65/34/47/786653447.db2.gz USXDTWCTCNINDJ-HNNXBMFYSA-N 1 1 342.403 0.641 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@@H]21 ZINC001074353012 786736249 /nfs/dbraw/zinc/73/62/49/786736249.db2.gz ARPGQAISBRROJS-JKSUJKDBSA-N 1 1 331.420 0.956 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@@H]21 ZINC001074353012 786736255 /nfs/dbraw/zinc/73/62/55/786736255.db2.gz ARPGQAISBRROJS-JKSUJKDBSA-N 1 1 331.420 0.956 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001073603789 786755063 /nfs/dbraw/zinc/75/50/63/786755063.db2.gz OOCGDYCVMUMZLV-UKRRQHHQSA-N 1 1 347.419 0.156 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001073618215 786781569 /nfs/dbraw/zinc/78/15/69/786781569.db2.gz XPGQPZUGEPUYBR-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001073620876 786786820 /nfs/dbraw/zinc/78/68/20/786786820.db2.gz QMGDDSPDZXJHQN-CQSZACIVSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001073623254 786792766 /nfs/dbraw/zinc/79/27/66/786792766.db2.gz CCODMKDVELRYBN-ZDUSSCGKSA-N 1 1 342.399 0.930 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001073623254 786792769 /nfs/dbraw/zinc/79/27/69/786792769.db2.gz CCODMKDVELRYBN-ZDUSSCGKSA-N 1 1 342.399 0.930 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001073623996 786794977 /nfs/dbraw/zinc/79/49/77/786794977.db2.gz ZFMIPRJRZIQULT-CQSZACIVSA-N 1 1 330.432 0.753 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001073623996 786794984 /nfs/dbraw/zinc/79/49/84/786794984.db2.gz ZFMIPRJRZIQULT-CQSZACIVSA-N 1 1 330.432 0.753 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001073626239 786801540 /nfs/dbraw/zinc/80/15/40/786801540.db2.gz MGCTVWKHKVLYRV-RDJZCZTQSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001073626239 786801550 /nfs/dbraw/zinc/80/15/50/786801550.db2.gz MGCTVWKHKVLYRV-RDJZCZTQSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001073634394 786829746 /nfs/dbraw/zinc/82/97/46/786829746.db2.gz QTVPKAOTZXVONW-GOEBONIOSA-N 1 1 330.432 0.975 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc3ncn(C)c32)C1 ZINC001073645691 786861731 /nfs/dbraw/zinc/86/17/31/786861731.db2.gz VOPOSKOWKQIEEJ-AWEZNQCLSA-N 1 1 341.415 0.812 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074405948 786881979 /nfs/dbraw/zinc/88/19/79/786881979.db2.gz YNSXFXXMHSJBQR-JKSUJKDBSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074405948 786881992 /nfs/dbraw/zinc/88/19/92/786881992.db2.gz YNSXFXXMHSJBQR-JKSUJKDBSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001073660853 786904117 /nfs/dbraw/zinc/90/41/17/786904117.db2.gz QGLWNCIJFSYVTF-GJZGRUSLSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001073660853 786904118 /nfs/dbraw/zinc/90/41/18/786904118.db2.gz QGLWNCIJFSYVTF-GJZGRUSLSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001073664493 786910856 /nfs/dbraw/zinc/91/08/56/786910856.db2.gz HPRBXRGWDFNEEQ-WBVHZDCISA-N 1 1 330.432 0.676 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001073664490 786911227 /nfs/dbraw/zinc/91/12/27/786911227.db2.gz HPRBXRGWDFNEEQ-DOTOQJQBSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(N(C)C)nc2)C1 ZINC001073672670 786933481 /nfs/dbraw/zinc/93/34/81/786933481.db2.gz OYRXJAIALCYPTD-MRXNPFEDSA-N 1 1 330.432 0.992 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001073681565 786958998 /nfs/dbraw/zinc/95/89/98/786958998.db2.gz REXCYHAWGLLHNI-AWEZNQCLSA-N 1 1 334.420 0.521 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001073691627 786979058 /nfs/dbraw/zinc/97/90/58/786979058.db2.gz XHUWTHORXCNXTF-OAHLLOKOSA-N 1 1 334.420 0.374 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001073691627 786979060 /nfs/dbraw/zinc/97/90/60/786979060.db2.gz XHUWTHORXCNXTF-OAHLLOKOSA-N 1 1 334.420 0.374 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)c(OC)co2)C1 ZINC001073697261 786992208 /nfs/dbraw/zinc/99/22/08/786992208.db2.gz DDHNTFZPUNQUGU-ZDUSSCGKSA-N 1 1 334.372 0.492 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)c(OC)co2)C1 ZINC001073697261 786992218 /nfs/dbraw/zinc/99/22/18/786992218.db2.gz DDHNTFZPUNQUGU-ZDUSSCGKSA-N 1 1 334.372 0.492 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001073710205 787019813 /nfs/dbraw/zinc/01/98/13/787019813.db2.gz TZOSXWPCDCUTBK-CVEARBPZSA-N 1 1 347.463 0.932 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001073709892 787021002 /nfs/dbraw/zinc/02/10/02/787021002.db2.gz LAMPQQTWPDZMPL-HOTGVXAUSA-N 1 1 345.447 0.379 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001073712917 787026620 /nfs/dbraw/zinc/02/66/20/787026620.db2.gz PBIOOGQSDGTPCM-HUUCEWRRSA-N 1 1 346.431 0.758 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001073712975 787029566 /nfs/dbraw/zinc/02/95/66/787029566.db2.gz QMRSSLNVFGFUDW-LUKYLMHMSA-N 1 1 336.432 0.268 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001073713347 787032054 /nfs/dbraw/zinc/03/20/54/787032054.db2.gz YZUPBESKBODRIG-LSDHHAIUSA-N 1 1 348.472 0.952 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001073713347 787032057 /nfs/dbraw/zinc/03/20/57/787032057.db2.gz YZUPBESKBODRIG-LSDHHAIUSA-N 1 1 348.472 0.952 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)CSCC#N)[C@H](C)C1 ZINC001073748272 787120831 /nfs/dbraw/zinc/12/08/31/787120831.db2.gz VWRMFAWKFZSSLK-OCCSQVGLSA-N 1 1 349.460 0.802 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001074512545 787134041 /nfs/dbraw/zinc/13/40/41/787134041.db2.gz YCAOVGQTIIEFRD-UHFFFAOYSA-N 1 1 334.420 0.627 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)CC1 ZINC001073755505 787134845 /nfs/dbraw/zinc/13/48/45/787134845.db2.gz AVBRYHTXBJBUOT-HOTGVXAUSA-N 1 1 335.448 0.828 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)CC1 ZINC001073755505 787134850 /nfs/dbraw/zinc/13/48/50/787134850.db2.gz AVBRYHTXBJBUOT-HOTGVXAUSA-N 1 1 335.448 0.828 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@H+]([C@H](CC)C(N)=O)CCCO2)c1 ZINC001073763007 787152599 /nfs/dbraw/zinc/15/25/99/787152599.db2.gz SQHMZTNWZBUWDF-JKSUJKDBSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+]([C@H](CC)C(N)=O)CCCO2)c1 ZINC001073763007 787152601 /nfs/dbraw/zinc/15/26/01/787152601.db2.gz SQHMZTNWZBUWDF-JKSUJKDBSA-N 1 1 344.415 0.148 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001073764860 787157608 /nfs/dbraw/zinc/15/76/08/787157608.db2.gz MMNIBLRJHANIDC-SJLPKXTDSA-N 1 1 344.459 0.984 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001073779026 787188634 /nfs/dbraw/zinc/18/86/34/787188634.db2.gz OQHQLEFJVLLDAQ-ZIAGYGMSSA-N 1 1 334.424 0.019 20 30 ECEDMO CC#CCN1CCCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073815441 787249275 /nfs/dbraw/zinc/24/92/75/787249275.db2.gz AMCPHNDCMKLGML-KRWDZBQOSA-N 1 1 347.463 0.289 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001073820770 787265593 /nfs/dbraw/zinc/26/55/93/787265593.db2.gz WOENMPHHXZYYHK-ZFWWWQNUSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001073821030 787266177 /nfs/dbraw/zinc/26/61/77/787266177.db2.gz ZCYOSAUTSCLNGU-LSDHHAIUSA-N 1 1 325.453 0.882 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001074565378 787270223 /nfs/dbraw/zinc/27/02/23/787270223.db2.gz FBRCKJCLFZYJDR-UHFFFAOYSA-N 1 1 337.464 0.600 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001073847803 787347607 /nfs/dbraw/zinc/34/76/07/787347607.db2.gz KDPJAHIRGDQJIA-HUUCEWRRSA-N 1 1 349.435 0.636 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001073857068 787375628 /nfs/dbraw/zinc/37/56/28/787375628.db2.gz YIFKJXJPFXAGTO-CYBMUJFWSA-N 1 1 343.387 0.279 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001073859629 787379768 /nfs/dbraw/zinc/37/97/68/787379768.db2.gz PFNJFGKBPAMDSJ-OAHLLOKOSA-N 1 1 330.432 0.992 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001073859749 787380922 /nfs/dbraw/zinc/38/09/22/787380922.db2.gz RWTJPIYRUNGXCB-ZIAGYGMSSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001073859749 787380924 /nfs/dbraw/zinc/38/09/24/787380924.db2.gz RWTJPIYRUNGXCB-ZIAGYGMSSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001073859749 787380939 /nfs/dbraw/zinc/38/09/39/787380939.db2.gz RWTJPIYRUNGXCB-ZIAGYGMSSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001073859749 787380945 /nfs/dbraw/zinc/38/09/45/787380945.db2.gz RWTJPIYRUNGXCB-ZIAGYGMSSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001073859749 787380956 /nfs/dbraw/zinc/38/09/56/787380956.db2.gz RWTJPIYRUNGXCB-ZIAGYGMSSA-N 1 1 333.436 0.693 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C)c1nncn1C ZINC001074613920 787396817 /nfs/dbraw/zinc/39/68/17/787396817.db2.gz QATSDJJRGBEODA-SUNKGSAMSA-N 1 1 327.392 0.969 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001073872600 787412628 /nfs/dbraw/zinc/41/26/28/787412628.db2.gz UQRPYALKJNRYNR-JKSUJKDBSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001073878581 787423869 /nfs/dbraw/zinc/42/38/69/787423869.db2.gz PDIUDWOCURVCLL-MRXNPFEDSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001073878581 787423874 /nfs/dbraw/zinc/42/38/74/787423874.db2.gz PDIUDWOCURVCLL-MRXNPFEDSA-N 1 1 340.387 0.116 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001074621769 787425646 /nfs/dbraw/zinc/42/56/46/787425646.db2.gz OCDADMXSWJFXGN-UHFFFAOYSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001073880880 787426701 /nfs/dbraw/zinc/42/67/01/787426701.db2.gz VYYHJVLCFIAGCV-AWEZNQCLSA-N 1 1 334.420 0.567 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001073883318 787428280 /nfs/dbraw/zinc/42/82/80/787428280.db2.gz JSNSTTBPMXUGFV-KRWDZBQOSA-N 1 1 335.448 0.475 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001073883198 787429012 /nfs/dbraw/zinc/42/90/12/787429012.db2.gz GWCXYANBLJFEDH-INIZCTEOSA-N 1 1 329.400 0.630 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001073901751 787482754 /nfs/dbraw/zinc/48/27/54/787482754.db2.gz DJYDOBVGMDRGBY-LSDHHAIUSA-N 1 1 331.420 0.071 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001073960325 787587403 /nfs/dbraw/zinc/58/74/03/787587403.db2.gz MQIQJPWKRNADJV-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001074056212 787779171 /nfs/dbraw/zinc/77/91/71/787779171.db2.gz FIJCPEWKKGZBMP-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)CSCC#N)C[C@@H]1C ZINC001074844171 788421759 /nfs/dbraw/zinc/42/17/59/788421759.db2.gz WWXHSESLSKJJSD-GXTWGEPZSA-N 1 1 349.460 0.944 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)CSCC#N)C[C@@H]1C ZINC001074844172 788421886 /nfs/dbraw/zinc/42/18/86/788421886.db2.gz WWXHSESLSKJJSD-JSGCOSHPSA-N 1 1 349.460 0.944 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3c[nH]nn3)[C@H]2C)C1=O ZINC001074895759 788506983 /nfs/dbraw/zinc/50/69/83/788506983.db2.gz NLUTXNIYPGFJAD-AEGPPILISA-N 1 1 346.435 0.103 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3cnn[nH]3)[C@H]2C)C1=O ZINC001074895759 788506992 /nfs/dbraw/zinc/50/69/92/788506992.db2.gz NLUTXNIYPGFJAD-AEGPPILISA-N 1 1 346.435 0.103 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)Cn3ccc(=O)n(C)c3=O)C2)C1 ZINC001072799679 788826976 /nfs/dbraw/zinc/82/69/76/788826976.db2.gz RCVOXYNHTMQMAV-UHFFFAOYSA-N 1 1 346.431 0.048 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccc(S(N)(=O)=O)o3)C2)C1 ZINC001072896320 789058229 /nfs/dbraw/zinc/05/82/29/789058229.db2.gz HTZNKMGBQDYSOF-UHFFFAOYSA-N 1 1 337.401 0.098 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cncn4C)C3)C2)C1=O ZINC001072899718 789067640 /nfs/dbraw/zinc/06/76/40/789067640.db2.gz IVDCPYYSXUQOJM-AWEZNQCLSA-N 1 1 343.431 0.355 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ccnnc4)C3)C2)C1=O ZINC001073012300 789271423 /nfs/dbraw/zinc/27/14/23/789271423.db2.gz LWUXINCXCQIMAP-OAHLLOKOSA-N 1 1 341.415 0.411 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001073027884 789302749 /nfs/dbraw/zinc/30/27/49/789302749.db2.gz UWUXAYYTFLDGOC-OAHLLOKOSA-N 1 1 337.464 0.864 20 30 ECEDMO C=C(Cl)CN1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059430 789369351 /nfs/dbraw/zinc/36/93/51/789369351.db2.gz FTRWNDUYAFODEV-UHFFFAOYSA-N 1 1 327.856 0.996 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3ncnn3)CC2)CC1 ZINC001075452427 789377454 /nfs/dbraw/zinc/37/74/54/789377454.db2.gz GOYSGSVJQADUCQ-HNNXBMFYSA-N 1 1 330.436 0.647 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CSC)CC1 ZINC001073121588 789476705 /nfs/dbraw/zinc/47/67/05/789476705.db2.gz FQJVKYNFQBWEIW-AWEZNQCLSA-N 1 1 337.489 0.944 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CSC)CC1 ZINC001073121588 789476711 /nfs/dbraw/zinc/47/67/11/789476711.db2.gz FQJVKYNFQBWEIW-AWEZNQCLSA-N 1 1 337.489 0.944 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C2)C1 ZINC001073155977 789543527 /nfs/dbraw/zinc/54/35/27/789543527.db2.gz AKMNLIKINGBWOO-UHFFFAOYSA-N 1 1 337.383 0.902 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 ZINC001073158193 789548061 /nfs/dbraw/zinc/54/80/61/789548061.db2.gz PUXLBPHETMXSAY-UHFFFAOYSA-N 1 1 333.436 0.391 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001073158937 789550534 /nfs/dbraw/zinc/55/05/34/789550534.db2.gz WWLOBESFPLPVOV-OAHLLOKOSA-N 1 1 346.431 0.727 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cocn4)[C@@H]3C2)C1=O ZINC001075614775 789573160 /nfs/dbraw/zinc/57/31/60/789573160.db2.gz IIAGINTVSPIZKQ-AEGPPILISA-N 1 1 330.388 0.608 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC001075658582 789624530 /nfs/dbraw/zinc/62/45/30/789624530.db2.gz JBPJFCDQSKQWTB-NWANDNLSSA-N 1 1 327.388 0.263 20 30 ECEDMO C=CCOCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001073260647 789668455 /nfs/dbraw/zinc/66/84/55/789668455.db2.gz PIXJZNVLXVLGAH-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)Cn4cncn4)C3)C2)s1 ZINC001073408366 789796923 /nfs/dbraw/zinc/79/69/23/789796923.db2.gz OWZUNNCLNOYPEQ-UHFFFAOYSA-N 1 1 342.428 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCOC)CC1(C)C ZINC001073419054 789812147 /nfs/dbraw/zinc/81/21/47/789812147.db2.gz MSCWLQYIWMLLST-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCOC)CC1(C)C ZINC001073419054 789812151 /nfs/dbraw/zinc/81/21/51/789812151.db2.gz MSCWLQYIWMLLST-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)COCC)CC1(C)C ZINC001073418796 789812402 /nfs/dbraw/zinc/81/24/02/789812402.db2.gz IPOJKWBEJFZWSP-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)COCC)CC1(C)C ZINC001073418796 789812407 /nfs/dbraw/zinc/81/24/07/789812407.db2.gz IPOJKWBEJFZWSP-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3ncccc3C#N)C(C)(C)C2)C1 ZINC001069553193 789895470 /nfs/dbraw/zinc/89/54/70/789895470.db2.gz QTXDWHYMGCGDRG-HUUCEWRRSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3ncccc3C#N)C(C)(C)C2)C1 ZINC001069553193 789895475 /nfs/dbraw/zinc/89/54/75/789895475.db2.gz QTXDWHYMGCGDRG-HUUCEWRRSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](Nc3cnc(C#N)cn3)C(C)(C)C2)C1 ZINC001069572205 789908137 /nfs/dbraw/zinc/90/81/37/789908137.db2.gz PCWKNOVHDDCZHH-GXTWGEPZSA-N 1 1 328.420 0.949 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC(Nc3ccncc3C#N)C2)C1 ZINC001069746442 790004886 /nfs/dbraw/zinc/00/48/86/790004886.db2.gz UVRKGDWQKUPICY-VMBOVVBDSA-N 1 1 343.431 0.497 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC(Nc3ccncc3C#N)C2)C1 ZINC001069746442 790004892 /nfs/dbraw/zinc/00/48/92/790004892.db2.gz UVRKGDWQKUPICY-VMBOVVBDSA-N 1 1 343.431 0.497 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 ZINC001069831193 790064677 /nfs/dbraw/zinc/06/46/77/790064677.db2.gz YPWLWUQYIKLQKN-CZUORRHYSA-N 1 1 340.431 0.799 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCc1cccc(N2CC[C@H](NCC#N)C2)n1 ZINC001069838405 790070859 /nfs/dbraw/zinc/07/08/59/790070859.db2.gz WFNLKYYUKOAHRT-JKSUJKDBSA-N 1 1 342.447 0.484 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)c2C1 ZINC001069862787 790116908 /nfs/dbraw/zinc/11/69/08/790116908.db2.gz FMPAQUMAKCUHEP-INIZCTEOSA-N 1 1 343.475 0.926 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)c2C1 ZINC001069873829 790135398 /nfs/dbraw/zinc/13/53/98/790135398.db2.gz WLSRQXXVAJQSJD-GOEBONIOSA-N 1 1 329.448 0.536 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccsc2)[C@@H](n2ccnn2)C1 ZINC001069892823 790161826 /nfs/dbraw/zinc/16/18/26/790161826.db2.gz QYAYUVGTCYAOFJ-CABCVRRESA-N 1 1 329.429 0.947 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCOCC2)[C@@H](n2ccnn2)C1 ZINC001069916105 790186029 /nfs/dbraw/zinc/18/60/29/790186029.db2.gz DVGWHZQLCLSLOE-XHSDSOJGSA-N 1 1 331.420 0.460 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924723 790195080 /nfs/dbraw/zinc/19/50/80/790195080.db2.gz BRWJGAUCOZUVCK-OAGGEKHMSA-N 1 1 332.452 0.678 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001069949096 790229328 /nfs/dbraw/zinc/22/93/28/790229328.db2.gz CFJMWMOQYWLGGN-IKGGRYGDSA-N 1 1 342.447 0.127 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001069954421 790236291 /nfs/dbraw/zinc/23/62/91/790236291.db2.gz ACXMUBKEKPHKAS-OLZOCXBDSA-N 1 1 329.364 0.005 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001069954421 790236295 /nfs/dbraw/zinc/23/62/95/790236295.db2.gz ACXMUBKEKPHKAS-OLZOCXBDSA-N 1 1 329.364 0.005 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@@H](n2ccnn2)C1 ZINC001069962252 790246341 /nfs/dbraw/zinc/24/63/41/790246341.db2.gz MUHHVZREDVCIFG-BMFZPTHFSA-N 1 1 341.419 0.265 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@@H](n2ccnn2)C1 ZINC001069962252 790246346 /nfs/dbraw/zinc/24/63/46/790246346.db2.gz MUHHVZREDVCIFG-BMFZPTHFSA-N 1 1 341.419 0.265 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ncccc2CC)[C@@H](n2ccnn2)C1 ZINC001069964424 790248987 /nfs/dbraw/zinc/24/89/87/790248987.db2.gz LYTOUZKYMLLIBB-CVEARBPZSA-N 1 1 338.415 0.914 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ncccc2CC)[C@@H](n2ccnn2)C1 ZINC001069964424 790248990 /nfs/dbraw/zinc/24/89/90/790248990.db2.gz LYTOUZKYMLLIBB-CVEARBPZSA-N 1 1 338.415 0.914 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnc3ccccn23)[C@@H](n2ccnn2)C1 ZINC001069964610 790250141 /nfs/dbraw/zinc/25/01/41/790250141.db2.gz PRPJSRBZLWYSSP-ZBFHGGJFSA-N 1 1 349.398 0.604 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccn23)[C@@H](n2ccnn2)C1 ZINC001069964610 790250146 /nfs/dbraw/zinc/25/01/46/790250146.db2.gz PRPJSRBZLWYSSP-ZBFHGGJFSA-N 1 1 349.398 0.604 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001068840357 791238655 /nfs/dbraw/zinc/23/86/55/791238655.db2.gz XVNWAQVPFRCFKH-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)[C@H]1C ZINC001068861830 791290714 /nfs/dbraw/zinc/29/07/14/791290714.db2.gz NJSYHDQNQYKLDH-YPMHNXCESA-N 1 1 325.376 0.377 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001068863296 791295824 /nfs/dbraw/zinc/29/58/24/791295824.db2.gz TXYJEYQPIZCIFZ-LSDHHAIUSA-N 1 1 347.459 0.616 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068911426 791401162 /nfs/dbraw/zinc/40/11/62/791401162.db2.gz ARXVLMFREFTJPF-OAHLLOKOSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001068935126 791454109 /nfs/dbraw/zinc/45/41/09/791454109.db2.gz MEMPIMJHHWFKHX-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H](C)C#N)CO2 ZINC001069002248 791571914 /nfs/dbraw/zinc/57/19/14/791571914.db2.gz CTIYUXMGPRJHNQ-UONOGXRCSA-N 1 1 336.436 0.364 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)C[C@H](NC(=O)[C@H](C)C#N)CO2 ZINC001069007481 791583599 /nfs/dbraw/zinc/58/35/99/791583599.db2.gz GKMOMMMTCKRFLF-OLZOCXBDSA-N 1 1 336.436 0.362 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2ccc(C#N)nn2)C[C@@H]1C ZINC001069176415 791759865 /nfs/dbraw/zinc/75/98/65/791759865.db2.gz SHCDEYCSPHPXAO-SMDDNHRTSA-N 1 1 325.376 0.955 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066736370 792069359 /nfs/dbraw/zinc/06/93/59/792069359.db2.gz LRKJWYOOEUWWRU-KGLIPLIRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066736370 792069370 /nfs/dbraw/zinc/06/93/70/792069370.db2.gz LRKJWYOOEUWWRU-KGLIPLIRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ncccc3C#N)C2)C1 ZINC001067838588 792352356 /nfs/dbraw/zinc/35/23/56/792352356.db2.gz ONQPFGOWKVBNFU-PESDSKBTSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ncccc3C#N)C2)C1 ZINC001067838588 792352367 /nfs/dbraw/zinc/35/23/67/792352367.db2.gz ONQPFGOWKVBNFU-PESDSKBTSA-N 1 1 329.404 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H](C)COC ZINC001067000058 792542023 /nfs/dbraw/zinc/54/20/23/792542023.db2.gz TXADWJSVNCDLPP-HOTGVXAUSA-N 1 1 337.464 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H](C)COC ZINC001067000058 792542029 /nfs/dbraw/zinc/54/20/29/792542029.db2.gz TXADWJSVNCDLPP-HOTGVXAUSA-N 1 1 337.464 0.673 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(c3ccnc(C#N)n3)CC2(C)C)C1 ZINC001068113723 792694514 /nfs/dbraw/zinc/69/45/14/792694514.db2.gz QKEFCEKTXWIQPP-STQMWFEESA-N 1 1 328.420 0.631 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)[C@@H](C)C1 ZINC001067108720 792706347 /nfs/dbraw/zinc/70/63/47/792706347.db2.gz NIWRTYBGBSOTMX-AAEUAGOBSA-N 1 1 325.376 0.234 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001068175146 792786746 /nfs/dbraw/zinc/78/67/46/792786746.db2.gz KRQOCRDYCNDXSV-MIGQKNRLSA-N 1 1 325.416 0.703 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001068175700 792788091 /nfs/dbraw/zinc/78/80/91/792788091.db2.gz SLTQKTCDJNRRHH-YYQUZTFQSA-N 1 1 325.416 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](OC)C1CC1 ZINC001067305030 792967333 /nfs/dbraw/zinc/96/73/33/792967333.db2.gz PASBUHIDAKXJFU-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](OC)C1CC1 ZINC001067305030 792967340 /nfs/dbraw/zinc/96/73/40/792967340.db2.gz PASBUHIDAKXJFU-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](CNc2ccnc(C#N)n2)C[C@H]1C ZINC001068335713 793070935 /nfs/dbraw/zinc/07/09/35/793070935.db2.gz ORYGAGPSWSQGHC-OCCSQVGLSA-N 1 1 339.403 0.624 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001068348631 793097666 /nfs/dbraw/zinc/09/76/66/793097666.db2.gz VZAAXJWSKLKGAL-GJZGRUSLSA-N 1 1 335.448 0.590 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001067402259 793103595 /nfs/dbraw/zinc/10/35/95/793103595.db2.gz VFLCDDBMOFHDLA-JSGCOSHPSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNc2ccnc(C#N)n2)C[C@@H]1C ZINC001068359456 793123314 /nfs/dbraw/zinc/12/33/14/793123314.db2.gz RAAGQTGZELJZEO-GXTWGEPZSA-N 1 1 339.403 0.624 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001067431514 793149009 /nfs/dbraw/zinc/14/90/09/793149009.db2.gz RMTGNKUFUMGQMJ-JKSUJKDBSA-N 1 1 337.464 0.673 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001067431605 793149629 /nfs/dbraw/zinc/14/96/29/793149629.db2.gz SWGMACQTOHCQLI-OAHLLOKOSA-N 1 1 325.453 0.672 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001068389280 793182685 /nfs/dbraw/zinc/18/26/85/793182685.db2.gz BFQPNEYLMYPXAM-CVEARBPZSA-N 1 1 347.459 0.427 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001068395192 793202205 /nfs/dbraw/zinc/20/22/05/793202205.db2.gz SAXAUPDKTSNWDK-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001068399260 793217989 /nfs/dbraw/zinc/21/79/89/793217989.db2.gz WFGRHZZRMRWCEE-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068401703 793226163 /nfs/dbraw/zinc/22/61/63/793226163.db2.gz CDARVQAMKOBPMJ-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)CCC=C)C2)C1 ZINC001068408793 793250038 /nfs/dbraw/zinc/25/00/38/793250038.db2.gz LWEAXMISAYORMJ-INIZCTEOSA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)CCC=C)C2)C1 ZINC001068408793 793250045 /nfs/dbraw/zinc/25/00/45/793250045.db2.gz LWEAXMISAYORMJ-INIZCTEOSA-N 1 1 345.443 0.490 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCOC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068409240 793251338 /nfs/dbraw/zinc/25/13/38/793251338.db2.gz YMXFNLKORYZNHI-UHFFFAOYSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001267482731 837540259 /nfs/dbraw/zinc/54/02/59/837540259.db2.gz NIACZEGLURIHHI-STQMWFEESA-N 1 1 333.436 0.931 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001267485619 837546752 /nfs/dbraw/zinc/54/67/52/837546752.db2.gz XEEYUHJXWLUNRD-CYBMUJFWSA-N 1 1 333.436 0.471 20 30 ECEDMO COCC#CC[N@@H+](CCCNC(=O)c1ncc(OC)cn1)C(C)C ZINC001267503472 837584606 /nfs/dbraw/zinc/58/46/06/837584606.db2.gz ARTBFHDGVCGINN-UHFFFAOYSA-N 1 1 334.420 0.965 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)C1CCOCC1)c1ccccc1 ZINC001267518157 837663663 /nfs/dbraw/zinc/66/36/63/837663663.db2.gz TVYVISBGIOKAJS-QGZVFWFLSA-N 1 1 343.427 0.610 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)c1cnco1)c1ccccc1 ZINC001267519986 837670359 /nfs/dbraw/zinc/67/03/59/837670359.db2.gz NXRSVMRPZXKVSV-ZFWWWQNUSA-N 1 1 340.383 0.873 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)/C=C\c2ccc[nH]2)C1 ZINC001267524140 837684079 /nfs/dbraw/zinc/68/40/79/837684079.db2.gz PLBSFYAEVTWUPP-NQHOJNORSA-N 1 1 329.404 0.496 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)/C=C\c2ccc[nH]2)C1 ZINC001267524142 837684231 /nfs/dbraw/zinc/68/42/31/837684231.db2.gz PLBSFYAEVTWUPP-VQTKUKTRSA-N 1 1 329.404 0.496 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cncnc2)C1 ZINC001267525002 837686970 /nfs/dbraw/zinc/68/69/70/837686970.db2.gz XJRUJFLAYCBZNE-KGLIPLIRSA-N 1 1 331.420 0.609 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cn(C)nc2CC)C1 ZINC001267535610 837712335 /nfs/dbraw/zinc/71/23/35/837712335.db2.gz BJLFBQUPCVLIFS-AWEZNQCLSA-N 1 1 345.447 0.174 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001267538583 837720171 /nfs/dbraw/zinc/72/01/71/837720171.db2.gz UCWPONFJNOPAOC-HZSPNIEDSA-N 1 1 335.404 0.060 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001267545671 837736180 /nfs/dbraw/zinc/73/61/80/837736180.db2.gz VLWONKRMQPCPHI-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCC(=O)N2CCOCC2)C1 ZINC001267548789 837746412 /nfs/dbraw/zinc/74/64/12/837746412.db2.gz MXOXJHXQSHYEPP-QGZVFWFLSA-N 1 1 349.475 0.962 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2cnoc2)C1 ZINC001267562801 837774699 /nfs/dbraw/zinc/77/46/99/837774699.db2.gz MPDGJDLQHRQGKM-ZIAGYGMSSA-N 1 1 332.404 0.183 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CCNC(=O)Cc3cnc[nH]3)C2)C1=O ZINC001267566932 837786283 /nfs/dbraw/zinc/78/62/83/837786283.db2.gz KLLOWXCZDGMPEK-GDBMZVCRSA-N 1 1 345.447 0.567 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC(C)C)C(N)=O)C1 ZINC001267571723 837806548 /nfs/dbraw/zinc/80/65/48/837806548.db2.gz RIBZFAXTTQSSGL-HOTGVXAUSA-N 1 1 337.464 0.612 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001266249234 835555393 /nfs/dbraw/zinc/55/53/93/835555393.db2.gz WLMMEVVTSNTZFX-UONOGXRCSA-N 1 1 333.436 0.532 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001266249234 835555394 /nfs/dbraw/zinc/55/53/94/835555394.db2.gz WLMMEVVTSNTZFX-UONOGXRCSA-N 1 1 333.436 0.532 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCNC(=O)CC2CCCC2)CC1 ZINC001266256856 835564111 /nfs/dbraw/zinc/56/41/11/835564111.db2.gz LLTIGGGSTKTOBX-UHFFFAOYSA-N 1 1 348.491 0.440 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccn1C ZINC001266258791 835567300 /nfs/dbraw/zinc/56/73/00/835567300.db2.gz XLGCYEXXQPFUQA-LBPRGKRZSA-N 1 1 335.408 0.087 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccn1C ZINC001266258791 835567304 /nfs/dbraw/zinc/56/73/04/835567304.db2.gz XLGCYEXXQPFUQA-LBPRGKRZSA-N 1 1 335.408 0.087 20 30 ECEDMO C[C@@H]1CCn2cc(C(=O)NCCC[NH+]3CCN(CC#N)CC3)nc2C1 ZINC001266267138 835584049 /nfs/dbraw/zinc/58/40/49/835584049.db2.gz PLWZEBYORNSNAB-OAHLLOKOSA-N 1 1 344.463 0.726 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)[C@@H](OC)c2cnn(C)c2)CC1 ZINC001266269194 835586681 /nfs/dbraw/zinc/58/66/81/835586681.db2.gz BRGNYILSMKYOSJ-KRWDZBQOSA-N 1 1 347.463 0.255 20 30 ECEDMO C#CCCOc1ccc(C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)cc1 ZINC001266275208 835598765 /nfs/dbraw/zinc/59/87/65/835598765.db2.gz QKOXUOOUNZLKAW-INIZCTEOSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CCCOc1ccc(C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)cc1 ZINC001266275208 835598770 /nfs/dbraw/zinc/59/87/70/835598770.db2.gz QKOXUOOUNZLKAW-INIZCTEOSA-N 1 1 329.400 0.639 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCCN1CC[NH+](Cc2cnccc2C)CC1 ZINC001266283582 835614727 /nfs/dbraw/zinc/61/47/27/835614727.db2.gz RSRITYGULZMJEX-LJQANCHMSA-N 1 1 346.475 0.951 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001266302805 835665443 /nfs/dbraw/zinc/66/54/43/835665443.db2.gz VAKOJQVJUZDMEE-HIFRSBDPSA-N 1 1 338.452 0.126 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001266302805 835665446 /nfs/dbraw/zinc/66/54/46/835665446.db2.gz VAKOJQVJUZDMEE-HIFRSBDPSA-N 1 1 338.452 0.126 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001266322936 835697827 /nfs/dbraw/zinc/69/78/27/835697827.db2.gz QKUFNOMLOFHANP-WMLDXEAASA-N 1 1 341.411 0.354 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001266322936 835697833 /nfs/dbraw/zinc/69/78/33/835697833.db2.gz QKUFNOMLOFHANP-WMLDXEAASA-N 1 1 341.411 0.354 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001266335272 835718066 /nfs/dbraw/zinc/71/80/66/835718066.db2.gz OXYWVVNHNLJZFQ-FPMFFAJLSA-N 1 1 336.436 0.481 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001266335272 835718073 /nfs/dbraw/zinc/71/80/73/835718073.db2.gz OXYWVVNHNLJZFQ-FPMFFAJLSA-N 1 1 336.436 0.481 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccn2ccnc12 ZINC001266338156 835722078 /nfs/dbraw/zinc/72/20/78/835722078.db2.gz YCIOAPSSDGOLCV-ZDUSSCGKSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccn2ccnc12 ZINC001266338156 835722087 /nfs/dbraw/zinc/72/20/87/835722087.db2.gz YCIOAPSSDGOLCV-ZDUSSCGKSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2scnc2C)C1 ZINC001266350851 835747901 /nfs/dbraw/zinc/74/79/01/835747901.db2.gz YKFQYSCLHKZJIR-ZDUSSCGKSA-N 1 1 336.461 0.877 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2scnc2C)C1 ZINC001266350851 835747911 /nfs/dbraw/zinc/74/79/11/835747911.db2.gz YKFQYSCLHKZJIR-ZDUSSCGKSA-N 1 1 336.461 0.877 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)COc1cccc(C)c1 ZINC001266358663 835765086 /nfs/dbraw/zinc/76/50/86/835765086.db2.gz WUZXNOOSMZRLAM-OAHLLOKOSA-N 1 1 331.416 0.560 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)COc1cccc(C)c1 ZINC001266358663 835765095 /nfs/dbraw/zinc/76/50/95/835765095.db2.gz WUZXNOOSMZRLAM-OAHLLOKOSA-N 1 1 331.416 0.560 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001266363002 835773196 /nfs/dbraw/zinc/77/31/96/835773196.db2.gz BLYOXJYMLHUGMQ-CJNGLKHVSA-N 1 1 332.448 0.981 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001266363002 835773206 /nfs/dbraw/zinc/77/32/06/835773206.db2.gz BLYOXJYMLHUGMQ-CJNGLKHVSA-N 1 1 332.448 0.981 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1nonc1C ZINC001266367729 835780395 /nfs/dbraw/zinc/78/03/95/835780395.db2.gz JDUWTAFSISNMMB-CYBMUJFWSA-N 1 1 337.424 0.853 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1nonc1C ZINC001266367729 835780403 /nfs/dbraw/zinc/78/04/03/835780403.db2.gz JDUWTAFSISNMMB-CYBMUJFWSA-N 1 1 337.424 0.853 20 30 ECEDMO Cc1ccc(C(=O)N[C@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)nn1 ZINC001266370382 835783352 /nfs/dbraw/zinc/78/33/52/835783352.db2.gz DIBAPKSPMNELOZ-AWEZNQCLSA-N 1 1 342.403 0.009 20 30 ECEDMO C=CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCNS(C)(=O)=O ZINC001279214493 835790510 /nfs/dbraw/zinc/79/05/10/835790510.db2.gz XMINWLVZRJKOSB-QDMKHBRRSA-N 1 1 343.493 0.861 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001266398783 835805989 /nfs/dbraw/zinc/80/59/89/835805989.db2.gz CUXQYOLVJRCXTJ-LSDHHAIUSA-N 1 1 345.447 0.022 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001266398783 835806000 /nfs/dbraw/zinc/80/60/00/835806000.db2.gz CUXQYOLVJRCXTJ-LSDHHAIUSA-N 1 1 345.447 0.022 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1nncs1)C1CC1 ZINC001266412411 835817104 /nfs/dbraw/zinc/81/71/04/835817104.db2.gz SOIAFRYMKPAORS-KBPBESRZSA-N 1 1 333.461 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](NCc1nncs1)C1CC1 ZINC001266412411 835817108 /nfs/dbraw/zinc/81/71/08/835817108.db2.gz SOIAFRYMKPAORS-KBPBESRZSA-N 1 1 333.461 0.620 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](NCc1nncs1)C1CC1 ZINC001266412411 835817117 /nfs/dbraw/zinc/81/71/17/835817117.db2.gz SOIAFRYMKPAORS-KBPBESRZSA-N 1 1 333.461 0.620 20 30 ECEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001266422856 835826266 /nfs/dbraw/zinc/82/62/66/835826266.db2.gz SORBLYGEBUASOH-UHFFFAOYSA-N 1 1 336.440 0.583 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001266447016 835849307 /nfs/dbraw/zinc/84/93/07/835849307.db2.gz NRIPBCXIQSZAIP-OCCSQVGLSA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001266447016 835849312 /nfs/dbraw/zinc/84/93/12/835849312.db2.gz NRIPBCXIQSZAIP-OCCSQVGLSA-N 1 1 333.436 0.857 20 30 ECEDMO CS[C@@H](C)C(=O)N1CCC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001266448054 835851330 /nfs/dbraw/zinc/85/13/30/835851330.db2.gz FRYURRMJIQNYHT-STQMWFEESA-N 1 1 326.466 0.548 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC1CCC1 ZINC001266453690 835855802 /nfs/dbraw/zinc/85/58/02/835855802.db2.gz JVTIXFRKMAVMKB-CQSZACIVSA-N 1 1 336.436 0.769 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CC1CCC1 ZINC001266453690 835855808 /nfs/dbraw/zinc/85/58/08/835855808.db2.gz JVTIXFRKMAVMKB-CQSZACIVSA-N 1 1 336.436 0.769 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)COC(C)C)C1 ZINC001266452605 835856737 /nfs/dbraw/zinc/85/67/37/835856737.db2.gz PTMXZASLGFNQJK-JKSUJKDBSA-N 1 1 337.464 0.720 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266461110 835863325 /nfs/dbraw/zinc/86/33/25/835863325.db2.gz JVIKPMZDXOMWCS-GDBMZVCRSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266461110 835863328 /nfs/dbraw/zinc/86/33/28/835863328.db2.gz JVIKPMZDXOMWCS-GDBMZVCRSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2n1CCC2 ZINC001266467934 835868196 /nfs/dbraw/zinc/86/81/96/835868196.db2.gz GSFLAQXIKSJFEO-UONOGXRCSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2n1CCC2 ZINC001266467934 835868199 /nfs/dbraw/zinc/86/81/99/835868199.db2.gz GSFLAQXIKSJFEO-UONOGXRCSA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]cn1 ZINC001266467620 835868445 /nfs/dbraw/zinc/86/84/45/835868445.db2.gz ABTNJWIJENIIGS-UKRRQHHQSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]cn1 ZINC001266467620 835868451 /nfs/dbraw/zinc/86/84/51/835868451.db2.gz ABTNJWIJENIIGS-UKRRQHHQSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001266468551 835871176 /nfs/dbraw/zinc/87/11/76/835871176.db2.gz SIHGSKATIOLJTR-STQMWFEESA-N 1 1 347.419 0.141 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001266468551 835871181 /nfs/dbraw/zinc/87/11/81/835871181.db2.gz SIHGSKATIOLJTR-STQMWFEESA-N 1 1 347.419 0.141 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001266473356 835875997 /nfs/dbraw/zinc/87/59/97/835875997.db2.gz ZPYRHRJXRVWPFY-HNNXBMFYSA-N 1 1 345.447 0.180 20 30 ECEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001266472145 835876391 /nfs/dbraw/zinc/87/63/91/835876391.db2.gz DGBXEEQYIXSYLC-ZDUSSCGKSA-N 1 1 331.420 0.936 20 30 ECEDMO COCCOC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001266483861 835884143 /nfs/dbraw/zinc/88/41/43/835884143.db2.gz HQDQQWSIJCQZLT-IXDOHACOSA-N 1 1 336.432 0.099 20 30 ECEDMO COCCOC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001266483861 835884150 /nfs/dbraw/zinc/88/41/50/835884150.db2.gz HQDQQWSIJCQZLT-IXDOHACOSA-N 1 1 336.432 0.099 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC001266485779 835885250 /nfs/dbraw/zinc/88/52/50/835885250.db2.gz IZSSVIUVYNUBEL-ZFWWWQNUSA-N 1 1 345.447 0.315 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC001266485779 835885258 /nfs/dbraw/zinc/88/52/58/835885258.db2.gz IZSSVIUVYNUBEL-ZFWWWQNUSA-N 1 1 345.447 0.315 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001266488074 835887712 /nfs/dbraw/zinc/88/77/12/835887712.db2.gz BRJARGKEXDZBQS-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001266492096 835891282 /nfs/dbraw/zinc/89/12/82/835891282.db2.gz HWGDCSRCSJPSFT-CYBMUJFWSA-N 1 1 342.403 0.454 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001266492096 835891292 /nfs/dbraw/zinc/89/12/92/835891292.db2.gz HWGDCSRCSJPSFT-CYBMUJFWSA-N 1 1 342.403 0.454 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1 ZINC001266492887 835893367 /nfs/dbraw/zinc/89/33/67/835893367.db2.gz YSFMCGOPCPBPAL-MRXNPFEDSA-N 1 1 331.391 0.698 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1 ZINC001266492887 835893374 /nfs/dbraw/zinc/89/33/74/835893374.db2.gz YSFMCGOPCPBPAL-MRXNPFEDSA-N 1 1 331.391 0.698 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H](C)COC)C2)CC1 ZINC001266504916 835905497 /nfs/dbraw/zinc/90/54/97/835905497.db2.gz XYROAMISHCNUTM-IRXDYDNUSA-N 1 1 349.475 0.675 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C2(C(F)(F)F)CCC2)C1 ZINC001266519984 835932095 /nfs/dbraw/zinc/93/20/95/835932095.db2.gz CQHCSQPKWOTNLY-LLVKDONJSA-N 1 1 346.353 0.797 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2(C(F)(F)F)CCC2)C1 ZINC001266519984 835932098 /nfs/dbraw/zinc/93/20/98/835932098.db2.gz CQHCSQPKWOTNLY-LLVKDONJSA-N 1 1 346.353 0.797 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266520994 835935297 /nfs/dbraw/zinc/93/52/97/835935297.db2.gz XUXOGHOZEQTPFU-JKSUJKDBSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001266522995 835937599 /nfs/dbraw/zinc/93/75/99/835937599.db2.gz DVQDAPZLUYLOMW-CABCVRRESA-N 1 1 345.447 0.227 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC001266537343 835955759 /nfs/dbraw/zinc/95/57/59/835955759.db2.gz JUAOGVATSUYLDW-CYBMUJFWSA-N 1 1 341.415 0.155 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2nocc2C)C1 ZINC001266539872 835961461 /nfs/dbraw/zinc/96/14/61/835961461.db2.gz KNALSABMBXRKAU-LBPRGKRZSA-N 1 1 349.391 0.047 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2nocc2C)C1 ZINC001266539872 835961463 /nfs/dbraw/zinc/96/14/63/835961463.db2.gz KNALSABMBXRKAU-LBPRGKRZSA-N 1 1 349.391 0.047 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001266545238 835966932 /nfs/dbraw/zinc/96/69/32/835966932.db2.gz NXOVXRXLOZXYOM-YJBOKZPZSA-N 1 1 339.439 0.879 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1cnc2[nH]ccc2c1)CC(=O)NCC#N ZINC001266564775 835993019 /nfs/dbraw/zinc/99/30/19/835993019.db2.gz ATLJWQVYHWXIRD-UHFFFAOYSA-N 1 1 342.403 0.596 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1cnc2[nH]ccc2c1)CC(=O)NCC#N ZINC001266564775 835993026 /nfs/dbraw/zinc/99/30/26/835993026.db2.gz ATLJWQVYHWXIRD-UHFFFAOYSA-N 1 1 342.403 0.596 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1ncc(C)cc1C ZINC001266566752 835996044 /nfs/dbraw/zinc/99/60/44/835996044.db2.gz MIWLIQUOUCSXJF-UHFFFAOYSA-N 1 1 330.432 0.890 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1ncc(C)cc1C ZINC001266566752 835996053 /nfs/dbraw/zinc/99/60/53/835996053.db2.gz MIWLIQUOUCSXJF-UHFFFAOYSA-N 1 1 330.432 0.890 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CCC)[C@H]2CCC(=O)NC2=O)c1 ZINC001266571317 836001908 /nfs/dbraw/zinc/00/19/08/836001908.db2.gz PRCSDYNLSZTVOI-HNNXBMFYSA-N 1 1 342.399 0.310 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCNC(=O)/C(C)=C\C)C1CC1 ZINC001266588318 836018550 /nfs/dbraw/zinc/01/85/50/836018550.db2.gz NBQLSPMWJIGAPT-TZQNSNDFSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CCNC(=O)/C(C)=C\C)C1CC1 ZINC001266588318 836018565 /nfs/dbraw/zinc/01/85/65/836018565.db2.gz NBQLSPMWJIGAPT-TZQNSNDFSA-N 1 1 336.436 0.934 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cccn2nccc12)C1CC1 ZINC001266600567 836035385 /nfs/dbraw/zinc/03/53/85/836035385.db2.gz ZEQFKJFIYZIDCT-UHFFFAOYSA-N 1 1 339.399 0.278 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cccn2nccc12)C1CC1 ZINC001266600567 836035394 /nfs/dbraw/zinc/03/53/94/836035394.db2.gz ZEQFKJFIYZIDCT-UHFFFAOYSA-N 1 1 339.399 0.278 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)c1ccc(C(N)=O)cc1)C1CC1 ZINC001266619614 836056648 /nfs/dbraw/zinc/05/66/48/836056648.db2.gz UWXZPNGVOREGNU-UHFFFAOYSA-N 1 1 329.400 0.630 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CC[NH2+]Cc1nnc(C2CCC2)n1C ZINC001266696881 836159846 /nfs/dbraw/zinc/15/98/46/836159846.db2.gz VHBLGBGGBUDJSN-ZDUSSCGKSA-N 1 1 333.436 0.669 20 30 ECEDMO C#Cc1cccc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3ncn[nH]3)C2)c1 ZINC001266718846 836195517 /nfs/dbraw/zinc/19/55/17/836195517.db2.gz GVRPPGZGUWLKBU-OKILXGFUSA-N 1 1 338.371 0.275 20 30 ECEDMO C#Cc1cccc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)c1 ZINC001266718846 836195521 /nfs/dbraw/zinc/19/55/21/836195521.db2.gz GVRPPGZGUWLKBU-OKILXGFUSA-N 1 1 338.371 0.275 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC001266732402 836212446 /nfs/dbraw/zinc/21/24/46/836212446.db2.gz GJXAVVSQTXERBZ-BETUJISGSA-N 1 1 339.399 0.092 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccn2)C1 ZINC001266737314 836219937 /nfs/dbraw/zinc/21/99/37/836219937.db2.gz QRDAMGVBIKGMHO-GJZGRUSLSA-N 1 1 328.416 0.661 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccns2)C1 ZINC001266752078 836244039 /nfs/dbraw/zinc/24/40/39/836244039.db2.gz NTTUEZDJKVGXTJ-CHWSQXEVSA-N 1 1 334.445 0.723 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ncccc2F)C1 ZINC001266757801 836254477 /nfs/dbraw/zinc/25/44/77/836254477.db2.gz IBAGKYROGJERLI-AWEZNQCLSA-N 1 1 346.406 0.341 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001266758119 836255042 /nfs/dbraw/zinc/25/50/42/836255042.db2.gz NZUZNKOXKNSEKA-LEOABGAYSA-N 1 1 335.448 0.398 20 30 ECEDMO CCc1ncncc1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266770234 836280142 /nfs/dbraw/zinc/28/01/42/836280142.db2.gz RUHWJBNZEXIRRV-ZDUSSCGKSA-N 1 1 344.419 0.121 20 30 ECEDMO CCc1ncncc1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266770234 836280148 /nfs/dbraw/zinc/28/01/48/836280148.db2.gz RUHWJBNZEXIRRV-ZDUSSCGKSA-N 1 1 344.419 0.121 20 30 ECEDMO COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001266848513 836377915 /nfs/dbraw/zinc/37/79/15/836377915.db2.gz BZDXDENZJBJKHQ-SJORKVTESA-N 1 1 348.447 0.728 20 30 ECEDMO COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001266848513 836377928 /nfs/dbraw/zinc/37/79/28/836377928.db2.gz BZDXDENZJBJKHQ-SJORKVTESA-N 1 1 348.447 0.728 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)Cn2ccnc2)C1=O ZINC001266860104 836399943 /nfs/dbraw/zinc/39/99/43/836399943.db2.gz XIPXABKIZXXZPX-HOTGVXAUSA-N 1 1 345.447 0.641 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)Cn2ccnc2)C1=O ZINC001266860104 836399952 /nfs/dbraw/zinc/39/99/52/836399952.db2.gz XIPXABKIZXXZPX-HOTGVXAUSA-N 1 1 345.447 0.641 20 30 ECEDMO C=CCn1cc(C(=O)N(C)CC[NH2+][C@H](C)c2nnnn2C2CC2)nn1 ZINC001266861778 836402202 /nfs/dbraw/zinc/40/22/02/836402202.db2.gz JYBQOROSUZXOOR-LLVKDONJSA-N 1 1 345.411 0.208 20 30 ECEDMO Cc1nscc1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266893157 836442975 /nfs/dbraw/zinc/44/29/75/836442975.db2.gz QCGHWVWZRFDFEB-AAEUAGOBSA-N 1 1 349.460 0.922 20 30 ECEDMO Cc1nscc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266893157 836442980 /nfs/dbraw/zinc/44/29/80/836442980.db2.gz QCGHWVWZRFDFEB-AAEUAGOBSA-N 1 1 349.460 0.922 20 30 ECEDMO C[C@@H](NC(=O)C(N)=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001266895903 836446766 /nfs/dbraw/zinc/44/67/66/836446766.db2.gz UUHDWWDALBURLU-RISCZKNCSA-N 1 1 332.379 0.899 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1nccn1C(F)F ZINC001266948657 836511924 /nfs/dbraw/zinc/51/19/24/836511924.db2.gz FRSHTRPVWARZNJ-STQMWFEESA-N 1 1 339.390 0.970 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)N(C)CC ZINC001279566165 836726918 /nfs/dbraw/zinc/72/69/18/836726918.db2.gz OSIPNVDQRAJOEI-PMPSAXMXSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCOCCCC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001267102582 836775666 /nfs/dbraw/zinc/77/56/66/836775666.db2.gz IWOYGQMMJRNZPY-CYBMUJFWSA-N 1 1 340.424 0.087 20 30 ECEDMO C=CCOCCCC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001267102582 836775676 /nfs/dbraw/zinc/77/56/76/836775676.db2.gz IWOYGQMMJRNZPY-CYBMUJFWSA-N 1 1 340.424 0.087 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)ncn2)C1 ZINC001267102374 836775737 /nfs/dbraw/zinc/77/57/37/836775737.db2.gz DYQPJFXDRDKHAJ-HUUCEWRRSA-N 1 1 343.431 0.459 20 30 ECEDMO CCO[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1)C(C)C ZINC001267105572 836784768 /nfs/dbraw/zinc/78/47/68/836784768.db2.gz KXWUBMLBTMAKSC-HOCLYGCPSA-N 1 1 338.452 0.610 20 30 ECEDMO CCO[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)C(C)C ZINC001267105572 836784774 /nfs/dbraw/zinc/78/47/74/836784774.db2.gz KXWUBMLBTMAKSC-HOCLYGCPSA-N 1 1 338.452 0.610 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)cnn2C)C1 ZINC001267108348 836791259 /nfs/dbraw/zinc/79/12/59/836791259.db2.gz MZNWTPWSAQXYGL-HUUCEWRRSA-N 1 1 347.463 0.956 20 30 ECEDMO C=CCNC(=O)CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267109837 836793206 /nfs/dbraw/zinc/79/32/06/836793206.db2.gz YEXRVETXSTZEIH-HOTGVXAUSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccnc(F)c1 ZINC001267161849 836877192 /nfs/dbraw/zinc/87/71/92/836877192.db2.gz WULIDJIIJSDFNK-HNNXBMFYSA-N 1 1 346.406 0.945 20 30 ECEDMO Cc1ccc(C(=O)NCCC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)nn1 ZINC001267165550 836888850 /nfs/dbraw/zinc/88/88/50/836888850.db2.gz WDNYUPMBVVDICZ-CQSZACIVSA-N 1 1 344.419 0.399 20 30 ECEDMO Cc1n[nH]cc1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267171762 836904431 /nfs/dbraw/zinc/90/44/31/836904431.db2.gz NUSCBOAGLFUGAW-CYBMUJFWSA-N 1 1 332.408 0.332 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267178649 836922336 /nfs/dbraw/zinc/92/23/36/836922336.db2.gz YHKGKUIAMHNMGS-AWEZNQCLSA-N 1 1 346.431 0.082 20 30 ECEDMO CN(C)S(=O)(=O)CCC[N@@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001267194215 836957498 /nfs/dbraw/zinc/95/74/98/836957498.db2.gz KWJBODRJEZMRJT-UHFFFAOYSA-N 1 1 331.482 0.365 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](C)CCNS(=O)(=O)CC)cc1 ZINC001267210764 836997867 /nfs/dbraw/zinc/99/78/67/836997867.db2.gz MSBYSJQVKPALRJ-UHFFFAOYSA-N 1 1 337.445 0.269 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](C)CCNS(=O)(=O)CC)cc1 ZINC001267210764 836997871 /nfs/dbraw/zinc/99/78/71/836997871.db2.gz MSBYSJQVKPALRJ-UHFFFAOYSA-N 1 1 337.445 0.269 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccc2[nH]ccc21 ZINC001267219596 837009700 /nfs/dbraw/zinc/00/97/00/837009700.db2.gz UBMAINNPKNXYLN-CYBMUJFWSA-N 1 1 326.400 0.967 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc2[nH]ccc21 ZINC001267219596 837009707 /nfs/dbraw/zinc/00/97/07/837009707.db2.gz UBMAINNPKNXYLN-CYBMUJFWSA-N 1 1 326.400 0.967 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CC(F)(F)C(F)(F)F ZINC001267232966 837037331 /nfs/dbraw/zinc/03/73/31/837037331.db2.gz GHYTWLWZZMXYCM-VIFPVBQESA-N 1 1 343.296 0.760 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CC(F)(F)C(F)(F)F ZINC001267232966 837037344 /nfs/dbraw/zinc/03/73/44/837037344.db2.gz GHYTWLWZZMXYCM-VIFPVBQESA-N 1 1 343.296 0.760 20 30 ECEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)CNC(=O)OC ZINC001267238562 837045419 /nfs/dbraw/zinc/04/54/19/837045419.db2.gz OWVSSMJDTWEINO-UHFFFAOYSA-N 1 1 335.379 0.971 20 30 ECEDMO CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)CNC(=O)OC ZINC001267238562 837045429 /nfs/dbraw/zinc/04/54/29/837045429.db2.gz OWVSSMJDTWEINO-UHFFFAOYSA-N 1 1 335.379 0.971 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)[C@@H](C)C(=O)NCC(F)(F)F ZINC001267241054 837048628 /nfs/dbraw/zinc/04/86/28/837048628.db2.gz IZVYPNNTXAJCRH-NSHDSACASA-N 1 1 333.354 0.905 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)[C@@H](C)C(=O)NCC(F)(F)F ZINC001267241054 837048616 /nfs/dbraw/zinc/04/86/16/837048616.db2.gz IZVYPNNTXAJCRH-NSHDSACASA-N 1 1 333.354 0.905 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001267241370 837049901 /nfs/dbraw/zinc/04/99/01/837049901.db2.gz USWSNSKNZAUSEA-GJZGRUSLSA-N 1 1 335.448 0.474 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001267241370 837049915 /nfs/dbraw/zinc/04/99/15/837049915.db2.gz USWSNSKNZAUSEA-GJZGRUSLSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cnn2c1CCC2 ZINC001267242489 837051386 /nfs/dbraw/zinc/05/13/86/837051386.db2.gz NWTVSDCMZOIKOZ-CYBMUJFWSA-N 1 1 333.436 0.572 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cnn2c1CCC2 ZINC001267242489 837051397 /nfs/dbraw/zinc/05/13/97/837051397.db2.gz NWTVSDCMZOIKOZ-CYBMUJFWSA-N 1 1 333.436 0.572 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001267246472 837061618 /nfs/dbraw/zinc/06/16/18/837061618.db2.gz ARWILAGMOWGDTN-KBPBESRZSA-N 1 1 338.452 0.032 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001267246472 837061628 /nfs/dbraw/zinc/06/16/28/837061628.db2.gz ARWILAGMOWGDTN-KBPBESRZSA-N 1 1 338.452 0.032 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cnc(C2CC2)nc1 ZINC001267251066 837069272 /nfs/dbraw/zinc/06/92/72/837069272.db2.gz UFRVRMZSPAKSAZ-UHFFFAOYSA-N 1 1 329.404 0.155 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cnc(C2CC2)nc1 ZINC001267251066 837069277 /nfs/dbraw/zinc/06/92/77/837069277.db2.gz UFRVRMZSPAKSAZ-UHFFFAOYSA-N 1 1 329.404 0.155 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1ccccc1-n1cnnn1 ZINC001267256422 837080086 /nfs/dbraw/zinc/08/00/86/837080086.db2.gz VWVUPNQKKGHKEF-UHFFFAOYSA-N 1 1 342.403 0.364 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccn(C)n1 ZINC001267268383 837107279 /nfs/dbraw/zinc/10/72/79/837107279.db2.gz ZKLPLSJXHCURQC-HIFRSBDPSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cc1ccn(C)n1 ZINC001267268383 837107282 /nfs/dbraw/zinc/10/72/82/837107282.db2.gz ZKLPLSJXHCURQC-HIFRSBDPSA-N 1 1 333.436 0.234 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001267284182 837132863 /nfs/dbraw/zinc/13/28/63/837132863.db2.gz ZHVYKJYYVXEEMC-AWEZNQCLSA-N 1 1 330.388 0.025 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001267284182 837132869 /nfs/dbraw/zinc/13/28/69/837132869.db2.gz ZHVYKJYYVXEEMC-AWEZNQCLSA-N 1 1 330.388 0.025 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cncc(F)c2)C1 ZINC001267291101 837142575 /nfs/dbraw/zinc/14/25/75/837142575.db2.gz ZGWYFPWKKJUSNZ-CHWSQXEVSA-N 1 1 334.395 0.963 20 30 ECEDMO CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C#CC2CC2)C1 ZINC001267292330 837143486 /nfs/dbraw/zinc/14/34/86/837143486.db2.gz AAPYSVBHUOWMLV-NVXWUHKLSA-N 1 1 349.475 0.769 20 30 ECEDMO Cc1cc(C)c(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c(C)n1 ZINC001267297323 837158356 /nfs/dbraw/zinc/15/83/56/837158356.db2.gz HFPWNFLHQXHKRY-OAHLLOKOSA-N 1 1 343.431 0.698 20 30 ECEDMO Cc1cc(C)c(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(C)n1 ZINC001267297323 837158359 /nfs/dbraw/zinc/15/83/59/837158359.db2.gz HFPWNFLHQXHKRY-OAHLLOKOSA-N 1 1 343.431 0.698 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2coc(C3CC3)n2)C1 ZINC001267302958 837169858 /nfs/dbraw/zinc/16/98/58/837169858.db2.gz JBRTXZQYRJOOKB-STQMWFEESA-N 1 1 344.415 0.742 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc(F)c2F)C1 ZINC001267304222 837172590 /nfs/dbraw/zinc/17/25/90/837172590.db2.gz XJNSZZKZTAMKDF-ZDUSSCGKSA-N 1 1 349.381 0.695 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CCc2ncccn2)C1 ZINC001267304261 837173028 /nfs/dbraw/zinc/17/30/28/837173028.db2.gz GKMSOEGTGWKTPW-LSDHHAIUSA-N 1 1 345.447 0.538 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001267307054 837178489 /nfs/dbraw/zinc/17/84/89/837178489.db2.gz KWFVBCUVJMGADZ-CABCVRRESA-N 1 1 331.420 0.022 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)c1cncc(C#C)c1 ZINC001267317244 837192497 /nfs/dbraw/zinc/19/24/97/837192497.db2.gz SPRHPHIASPQTET-OAHLLOKOSA-N 1 1 340.427 0.643 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCOC[C@H]1C)CC(=O)NCC#N ZINC001267318638 837195113 /nfs/dbraw/zinc/19/51/13/837195113.db2.gz BDCBQYUFGBLMFU-HUUCEWRRSA-N 1 1 338.452 0.515 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1ccc(F)c(F)c1)C1CC1 ZINC001267327603 837206442 /nfs/dbraw/zinc/20/64/42/837206442.db2.gz TUKUQZGLDPMLKB-UHFFFAOYSA-N 1 1 336.342 0.799 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1ccc(F)c(F)c1)C1CC1 ZINC001267327603 837206443 /nfs/dbraw/zinc/20/64/43/837206443.db2.gz TUKUQZGLDPMLKB-UHFFFAOYSA-N 1 1 336.342 0.799 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001267404742 837374465 /nfs/dbraw/zinc/37/44/65/837374465.db2.gz AHOCTWYVWUJMBW-OIISXLGYSA-N 1 1 343.427 0.599 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](C[N@H+](C)C[C@H]2CCNC(=O)CC2)C1 ZINC001267582437 837846763 /nfs/dbraw/zinc/84/67/63/837846763.db2.gz ITAIVCWYBRICBW-IAGOWNOFSA-N 1 1 349.475 0.723 20 30 ECEDMO CCS(=O)(=O)NCC[N@@H+](C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267582010 837846983 /nfs/dbraw/zinc/84/69/83/837846983.db2.gz VBOAIYBELQOKEY-HNNXBMFYSA-N 1 1 341.477 0.119 20 30 ECEDMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001267583026 837850748 /nfs/dbraw/zinc/85/07/48/837850748.db2.gz NBXLQUSETIHGQD-QWHCGFSZSA-N 1 1 336.436 0.400 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccncn2)C1 ZINC001267584661 837856933 /nfs/dbraw/zinc/85/69/33/837856933.db2.gz ZEYHEOPKUSWKAR-UONOGXRCSA-N 1 1 329.404 0.056 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001267587955 837869231 /nfs/dbraw/zinc/86/92/31/837869231.db2.gz SSTUUMKZKMYICJ-CYBMUJFWSA-N 1 1 327.388 0.358 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cccc2)C1 ZINC001267593894 837892346 /nfs/dbraw/zinc/89/23/46/837892346.db2.gz VCISAEZKDZLJDP-DLBZAZTESA-N 1 1 344.459 0.969 20 30 ECEDMO Cc1cc(CC(=O)N2CCC(C[N@H+](C)CC(=O)NCC#N)CC2)no1 ZINC001267598601 837908515 /nfs/dbraw/zinc/90/85/15/837908515.db2.gz KAJXCAZYVNVRAJ-UHFFFAOYSA-N 1 1 347.419 0.336 20 30 ECEDMO C=CCC[N@H+](C)CC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001267599234 837910844 /nfs/dbraw/zinc/91/08/44/837910844.db2.gz IAJRCHLIZPVVJX-UHFFFAOYSA-N 1 1 348.447 0.294 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](CCNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001267602328 837927237 /nfs/dbraw/zinc/92/72/37/837927237.db2.gz ZMPACSYVFMGSHD-OAHLLOKOSA-N 1 1 343.493 0.121 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCc2ccnn2C)C1 ZINC001267613961 837986907 /nfs/dbraw/zinc/98/69/07/837986907.db2.gz ZEDHUZFWWKFBHU-HUUCEWRRSA-N 1 1 347.463 0.624 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCc2ccnn2C)C1 ZINC001267613961 837986912 /nfs/dbraw/zinc/98/69/12/837986912.db2.gz ZEDHUZFWWKFBHU-HUUCEWRRSA-N 1 1 347.463 0.624 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)COCC2CCCC2)C1 ZINC001267615820 838001031 /nfs/dbraw/zinc/00/10/31/838001031.db2.gz VZOYVSYRCKZEDI-NVXWUHKLSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)COCC2CCCC2)C1 ZINC001267615820 838001037 /nfs/dbraw/zinc/00/10/37/838001037.db2.gz VZOYVSYRCKZEDI-NVXWUHKLSA-N 1 1 349.475 0.912 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625309 838074712 /nfs/dbraw/zinc/07/47/12/838074712.db2.gz HTEVVTRLYQMIHY-NWDGAFQWSA-N 1 1 337.453 0.308 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625309 838074726 /nfs/dbraw/zinc/07/47/26/838074726.db2.gz HTEVVTRLYQMIHY-NWDGAFQWSA-N 1 1 337.453 0.308 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001267633431 838095952 /nfs/dbraw/zinc/09/59/52/838095952.db2.gz YLJAHOUTIOFMER-CABCVRRESA-N 1 1 347.463 0.434 20 30 ECEDMO COCCOCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001267638557 838116798 /nfs/dbraw/zinc/11/67/98/838116798.db2.gz NSLZDMSJZCTSEG-AWEZNQCLSA-N 1 1 334.420 0.943 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC001267639200 838118425 /nfs/dbraw/zinc/11/84/25/838118425.db2.gz ZVUBBONZLZEKFW-CQSZACIVSA-N 1 1 333.436 0.723 20 30 ECEDMO C#CCOCCC(=O)NC1C[NH+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC001267644775 838128341 /nfs/dbraw/zinc/12/83/41/838128341.db2.gz DVIGXNNZLDRZNL-YJBOKZPZSA-N 1 1 330.428 0.991 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)nn2)C1 ZINC001267646686 838131323 /nfs/dbraw/zinc/13/13/23/838131323.db2.gz RGPMFQWBMGBSDO-HUUCEWRRSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)nc(C)c2)C1 ZINC001267653879 838158579 /nfs/dbraw/zinc/15/85/79/838158579.db2.gz ZUWBFJYOJOOATH-MRXNPFEDSA-N 1 1 342.443 0.842 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001267656302 838166942 /nfs/dbraw/zinc/16/69/42/838166942.db2.gz IYOIUVIGIXUPAH-GJZGRUSLSA-N 1 1 334.464 0.047 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COCCN2CC)C1 ZINC001267658585 838174843 /nfs/dbraw/zinc/17/48/43/838174843.db2.gz PGLOORYWWSHQPU-SJORKVTESA-N 1 1 339.480 0.690 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(C)C)C2)c1 ZINC001267681929 838240571 /nfs/dbraw/zinc/24/05/71/838240571.db2.gz CEOJGWZRGJMZAI-ZBFHGGJFSA-N 1 1 342.443 0.934 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2c(OC)ccnc2OC)C1 ZINC001267686900 838250297 /nfs/dbraw/zinc/25/02/97/838250297.db2.gz VJFRSYTZSRQXMQ-UHFFFAOYSA-N 1 1 333.388 0.410 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cc2cnn(CC)c2)C1 ZINC001267696147 838284891 /nfs/dbraw/zinc/28/48/91/838284891.db2.gz PUVVERLMVLJSIJ-CYBMUJFWSA-N 1 1 333.436 0.184 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001267696406 838285411 /nfs/dbraw/zinc/28/54/11/838285411.db2.gz FNCSVWQWGLAKFW-CQSZACIVSA-N 1 1 344.419 0.721 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCNC(=O)C(F)(F)F ZINC001267706964 838313260 /nfs/dbraw/zinc/31/32/60/838313260.db2.gz VTFJSNJWDBNEAL-STQMWFEESA-N 1 1 343.349 0.754 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCNC(=O)C(F)(F)F ZINC001267706964 838313264 /nfs/dbraw/zinc/31/32/64/838313264.db2.gz VTFJSNJWDBNEAL-STQMWFEESA-N 1 1 343.349 0.754 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CCC(C)CC1 ZINC001267713720 838337016 /nfs/dbraw/zinc/33/70/16/838337016.db2.gz UCDTXUZZUCBAQP-HOTGVXAUSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)N1CCC(C)CC1 ZINC001267713720 838337025 /nfs/dbraw/zinc/33/70/25/838337025.db2.gz UCDTXUZZUCBAQP-HOTGVXAUSA-N 1 1 335.448 0.733 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001267723784 838380133 /nfs/dbraw/zinc/38/01/33/838380133.db2.gz JXTOLYNOQDOIAU-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001267723784 838380141 /nfs/dbraw/zinc/38/01/41/838380141.db2.gz JXTOLYNOQDOIAU-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C2)nn1 ZINC001267730970 838418459 /nfs/dbraw/zinc/41/84/59/838418459.db2.gz IJNWJUUNDZSNRD-KBPBESRZSA-N 1 1 348.451 0.524 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C2)nn1 ZINC001267730970 838418464 /nfs/dbraw/zinc/41/84/64/838418464.db2.gz IJNWJUUNDZSNRD-KBPBESRZSA-N 1 1 348.451 0.524 20 30 ECEDMO CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC001267733135 838425565 /nfs/dbraw/zinc/42/55/65/838425565.db2.gz DIVCEDAQNDMPFF-MRXNPFEDSA-N 1 1 334.464 0.971 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC001267740760 838441635 /nfs/dbraw/zinc/44/16/35/838441635.db2.gz SISMGMVEMBHRMT-QAPCUYQASA-N 1 1 331.416 0.803 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)cc2C)C1 ZINC001267744429 838447294 /nfs/dbraw/zinc/44/72/94/838447294.db2.gz BIQVLKMVWYGWAZ-HUUCEWRRSA-N 1 1 333.436 0.381 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)cc2C)C1 ZINC001267744429 838447304 /nfs/dbraw/zinc/44/73/04/838447304.db2.gz BIQVLKMVWYGWAZ-HUUCEWRRSA-N 1 1 333.436 0.381 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001267752146 838473694 /nfs/dbraw/zinc/47/36/94/838473694.db2.gz UJPJSVDONYVGLT-GDBMZVCRSA-N 1 1 342.443 0.695 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001267752146 838473700 /nfs/dbraw/zinc/47/37/00/838473700.db2.gz UJPJSVDONYVGLT-GDBMZVCRSA-N 1 1 342.443 0.695 20 30 ECEDMO C#CCCCCCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267767048 838501860 /nfs/dbraw/zinc/50/18/60/838501860.db2.gz CGAAJKRNYHILKK-KGLIPLIRSA-N 1 1 336.436 0.686 20 30 ECEDMO C#CCCCCCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267767048 838501869 /nfs/dbraw/zinc/50/18/69/838501869.db2.gz CGAAJKRNYHILKK-KGLIPLIRSA-N 1 1 336.436 0.686 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001267768704 838508666 /nfs/dbraw/zinc/50/86/66/838508666.db2.gz RNZLWIDKTOABAL-KGLIPLIRSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001267768704 838508667 /nfs/dbraw/zinc/50/86/67/838508667.db2.gz RNZLWIDKTOABAL-KGLIPLIRSA-N 1 1 344.415 0.374 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn3nccc3nc2C)C1 ZINC001267774110 838536345 /nfs/dbraw/zinc/53/63/45/838536345.db2.gz FCELVWGFSHKPRX-OAHLLOKOSA-N 1 1 341.415 0.834 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cn3nccc3nc2C)C1 ZINC001267774110 838536349 /nfs/dbraw/zinc/53/63/49/838536349.db2.gz FCELVWGFSHKPRX-OAHLLOKOSA-N 1 1 341.415 0.834 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn3ccccc23)C1 ZINC001267775366 838538525 /nfs/dbraw/zinc/53/85/25/838538525.db2.gz QRPBNCSJRXJIAP-AWEZNQCLSA-N 1 1 341.415 0.783 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3ccccc23)C1 ZINC001267775366 838538531 /nfs/dbraw/zinc/53/85/31/838538531.db2.gz QRPBNCSJRXJIAP-AWEZNQCLSA-N 1 1 341.415 0.783 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCCOC(C)C)C1 ZINC001267779217 838549770 /nfs/dbraw/zinc/54/97/70/838549770.db2.gz PLUIQNZYTIUJRR-JKSUJKDBSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCCOC(C)C)C1 ZINC001267779217 838549775 /nfs/dbraw/zinc/54/97/75/838549775.db2.gz PLUIQNZYTIUJRR-JKSUJKDBSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CCc2cnn(C)c2)C1 ZINC001267793361 838573345 /nfs/dbraw/zinc/57/33/45/838573345.db2.gz HAUSBABNNZIQFT-MRXNPFEDSA-N 1 1 345.447 0.025 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2cnn(C)c2)C1 ZINC001267793361 838573353 /nfs/dbraw/zinc/57/33/53/838573353.db2.gz HAUSBABNNZIQFT-MRXNPFEDSA-N 1 1 345.447 0.025 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001267919717 838794250 /nfs/dbraw/zinc/79/42/50/838794250.db2.gz QPDRNPRXRHGGEY-WCQYABFASA-N 1 1 327.375 0.750 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001267919717 838794256 /nfs/dbraw/zinc/79/42/56/838794256.db2.gz QPDRNPRXRHGGEY-WCQYABFASA-N 1 1 327.375 0.750 20 30 ECEDMO C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCCS(N)(=O)=O)CC2 ZINC001267973772 838906196 /nfs/dbraw/zinc/90/61/96/838906196.db2.gz AIEIPGQFJGMPBV-UHFFFAOYSA-N 1 1 341.477 0.393 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001268023157 839003603 /nfs/dbraw/zinc/00/36/03/839003603.db2.gz FOALPVUJLXFBTN-GJZGRUSLSA-N 1 1 347.419 0.149 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001299167495 839013284 /nfs/dbraw/zinc/01/32/84/839013284.db2.gz RHVSYOXQVMEKKF-MRXNPFEDSA-N 1 1 346.475 0.048 20 30 ECEDMO COCC#CCN1CCO[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001268027096 839033599 /nfs/dbraw/zinc/03/35/99/839033599.db2.gz YRWCIXIQRHGCFU-IAGOWNOFSA-N 1 1 337.464 0.328 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CCC[C@H](C)O)CCO2)nc1 ZINC001268028986 839044621 /nfs/dbraw/zinc/04/46/21/839044621.db2.gz ALSFLRNTMKNTAO-GOEBONIOSA-N 1 1 331.416 0.655 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCC[C@H](C)O)CCO2)nc1 ZINC001268028986 839044635 /nfs/dbraw/zinc/04/46/35/839044635.db2.gz ALSFLRNTMKNTAO-GOEBONIOSA-N 1 1 331.416 0.655 20 30 ECEDMO C=CCCC(=O)N1CCC2(C[NH+]([C@H](C)C(=O)NC(=O)NC)C2)CC1 ZINC001268043583 839194533 /nfs/dbraw/zinc/19/45/33/839194533.db2.gz KOCLKTYQLKPIJB-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1ccn(C)n1)CC2 ZINC001268046950 839215422 /nfs/dbraw/zinc/21/54/22/839215422.db2.gz QDAMFUZXAOUSCK-UHFFFAOYSA-N 1 1 331.420 0.260 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C(C)(C)C ZINC001268060325 839245152 /nfs/dbraw/zinc/24/51/52/839245152.db2.gz UZHBQPFOILIPML-MLGOLLRUSA-N 1 1 338.456 0.692 20 30 ECEDMO C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CC(C)(C)C#N ZINC000433308776 282398054 /nfs/dbraw/zinc/39/80/54/282398054.db2.gz ZZQZEEGVRSLVSK-UHFFFAOYSA-N 1 1 330.436 0.997 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425887298 210116607 /nfs/dbraw/zinc/11/66/07/210116607.db2.gz RCZPQVGBENTFNC-CQSZACIVSA-N 1 1 346.431 0.772 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@@H+](Cc4nc(=O)n(C)[nH]4)C3)C2)C1 ZINC001041653486 781933152 /nfs/dbraw/zinc/93/31/52/781933152.db2.gz SUALDLINCXDPRO-SFHVURJKSA-N 1 1 345.447 0.889 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@H+](Cc4nc(=O)n(C)[nH]4)C3)C2)C1 ZINC001041653486 781933165 /nfs/dbraw/zinc/93/31/65/781933165.db2.gz SUALDLINCXDPRO-SFHVURJKSA-N 1 1 345.447 0.889 20 30 ECEDMO Cn1cc[nH+]c1CC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000105793617 219528196 /nfs/dbraw/zinc/52/81/96/219528196.db2.gz YWKQNEMUKWNAIF-UHFFFAOYSA-N 1 1 342.403 0.148 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)c1 ZINC001041661694 781944243 /nfs/dbraw/zinc/94/42/43/781944243.db2.gz XKWNLCCHWJSDCR-APWZRJJASA-N 1 1 338.411 0.489 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000264744213 201211788 /nfs/dbraw/zinc/21/17/88/201211788.db2.gz SWGDOCQSWFEOMD-CYBMUJFWSA-N 1 1 329.466 0.589 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000265489505 201215411 /nfs/dbraw/zinc/21/54/11/201215411.db2.gz AULHEVZVOLUGQT-INIZCTEOSA-N 1 1 344.415 0.626 20 30 ECEDMO C=CCSCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000268526274 201227210 /nfs/dbraw/zinc/22/72/10/201227210.db2.gz ZYAJHYWTTZBCGM-UHFFFAOYSA-N 1 1 328.482 0.711 20 30 ECEDMO O=S1(=O)C[C@H]([NH2+]CC#Cc2ccccc2)[C@H](N2CCOCC2)C1 ZINC000276936068 201299580 /nfs/dbraw/zinc/29/95/80/201299580.db2.gz JHZJDXYAHMSLBE-DLBZAZTESA-N 1 1 334.441 0.126 20 30 ECEDMO C#CC[NH+]1CCC(c2nc(C(C)(C)NS(C)(=O)=O)no2)CC1 ZINC000278119113 201309483 /nfs/dbraw/zinc/30/94/83/201309483.db2.gz OWFFUPIFJCYRQN-UHFFFAOYSA-N 1 1 326.422 0.667 20 30 ECEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000279693137 201321195 /nfs/dbraw/zinc/32/11/95/201321195.db2.gz HXCUOUJQJXDYSC-OAHLLOKOSA-N 1 1 332.364 0.504 20 30 ECEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000279693137 201321198 /nfs/dbraw/zinc/32/11/98/201321198.db2.gz HXCUOUJQJXDYSC-OAHLLOKOSA-N 1 1 332.364 0.504 20 30 ECEDMO C#CCOc1ccc(C(=O)NC2CC[NH+](CC(=O)NC)CC2)cc1 ZINC000150890164 203939698 /nfs/dbraw/zinc/93/96/98/203939698.db2.gz MSXXLHUEKBDHRM-UHFFFAOYSA-N 1 1 329.400 0.639 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H]3CO)CC2)o1 ZINC000248997530 206319397 /nfs/dbraw/zinc/31/93/97/206319397.db2.gz YEOLSCHDFYHCLM-SWLSCSKDSA-N 1 1 347.419 0.206 20 30 ECEDMO N#Cc1cnc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000450303828 211317470 /nfs/dbraw/zinc/31/74/70/211317470.db2.gz JWSNYHPIYLOZFJ-GFCCVEGCSA-N 1 1 332.364 0.861 20 30 ECEDMO CN(C)c1nc(N2CCN(C(=O)c3ccc(C#N)n3C)CC2)cc[nH+]1 ZINC000449918790 211302973 /nfs/dbraw/zinc/30/29/73/211302973.db2.gz KLPOGBXMSQDCKS-UHFFFAOYSA-N 1 1 339.403 0.715 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000268541990 252008212 /nfs/dbraw/zinc/00/82/12/252008212.db2.gz GUKULFXRHGDEFF-UHFFFAOYSA-N 1 1 343.431 0.864 20 30 ECEDMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000330317648 285019400 /nfs/dbraw/zinc/01/94/00/285019400.db2.gz QLFTVMSIYWOYDD-ZIAGYGMSSA-N 1 1 347.481 0.520 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000330317648 285019403 /nfs/dbraw/zinc/01/94/03/285019403.db2.gz QLFTVMSIYWOYDD-ZIAGYGMSSA-N 1 1 347.481 0.520 20 30 ECEDMO COC(=O)[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000411909704 208163279 /nfs/dbraw/zinc/16/32/79/208163279.db2.gz ROFKJOXHTHXBEW-MRXNPFEDSA-N 1 1 344.415 0.211 20 30 ECEDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000411925759 208171576 /nfs/dbraw/zinc/17/15/76/208171576.db2.gz ZQPMXONRFDAVIC-OAHLLOKOSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[N@H+](C)C1 ZINC000411925759 208171581 /nfs/dbraw/zinc/17/15/81/208171581.db2.gz ZQPMXONRFDAVIC-OAHLLOKOSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000411925759 208171588 /nfs/dbraw/zinc/17/15/88/208171588.db2.gz ZQPMXONRFDAVIC-OAHLLOKOSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+](C)C1 ZINC000411759842 208143398 /nfs/dbraw/zinc/14/33/98/208143398.db2.gz PXBNLDZKECNIEF-ZDUSSCGKSA-N 1 1 344.371 0.060 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411759842 208143405 /nfs/dbraw/zinc/14/34/05/208143405.db2.gz PXBNLDZKECNIEF-ZDUSSCGKSA-N 1 1 344.371 0.060 20 30 ECEDMO COCC(COC)[NH+]1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000412433677 208237121 /nfs/dbraw/zinc/23/71/21/208237121.db2.gz DHZXFQWVIOUXCL-UHFFFAOYSA-N 1 1 346.431 0.776 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCN2CCCS2(=O)=O)C[C@@H]1C ZINC000328955124 254595240 /nfs/dbraw/zinc/59/52/40/254595240.db2.gz ITWBIATWYJAJJE-STQMWFEESA-N 1 1 332.470 0.350 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NCCn2cc[nH+]c2C)N(S(C)(=O)=O)C1 ZINC000329882029 254621058 /nfs/dbraw/zinc/62/10/58/254621058.db2.gz PIHDEXOURLRVBB-NWDGAFQWSA-N 1 1 330.410 0.197 20 30 ECEDMO C#CCNC(=O)c1ccc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)nc1 ZINC000376207137 254754071 /nfs/dbraw/zinc/75/40/71/254754071.db2.gz NFAPFLAJEDVYDV-ZBFHGGJFSA-N 1 1 328.416 0.744 20 30 ECEDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)N(CCC#N)CCOC)C[C@@H]1C ZINC000337096008 285370378 /nfs/dbraw/zinc/37/03/78/285370378.db2.gz QUPDUAXJRUKYID-LSDHHAIUSA-N 1 1 346.497 0.898 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000230342566 165088969 /nfs/dbraw/zinc/08/89/69/165088969.db2.gz XCNDJRKXDRXWEZ-GHMZBOCLSA-N 1 1 327.431 0.761 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000230342566 165088972 /nfs/dbraw/zinc/08/89/72/165088972.db2.gz XCNDJRKXDRXWEZ-GHMZBOCLSA-N 1 1 327.431 0.761 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC001041704142 782022298 /nfs/dbraw/zinc/02/22/98/782022298.db2.gz OXVKATFSRCOUKT-IBGZPJMESA-N 1 1 342.443 0.912 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1nn(C)cc1C#N ZINC000610561216 421185860 /nfs/dbraw/zinc/18/58/60/421185860.db2.gz RAPXGBKZJHVLOS-ZDUSSCGKSA-N 1 1 347.423 0.356 20 30 ECEDMO N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000610664130 421201893 /nfs/dbraw/zinc/20/18/93/421201893.db2.gz NPPITLMMDHLKOZ-ZDUSSCGKSA-N 1 1 330.392 0.336 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000611481967 421208014 /nfs/dbraw/zinc/20/80/14/421208014.db2.gz OEZNJCYEGPIXFX-UHFFFAOYSA-N 1 1 347.423 0.437 20 30 ECEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000173801125 263149716 /nfs/dbraw/zinc/14/97/16/263149716.db2.gz NSXPZUXZYZFHNI-OAHLLOKOSA-N 1 1 345.447 0.872 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000283091848 264082886 /nfs/dbraw/zinc/08/28/86/264082886.db2.gz ADXFUWXDUAVAEN-UHFFFAOYSA-N 1 1 330.388 0.013 20 30 ECEDMO CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000283679364 264140985 /nfs/dbraw/zinc/14/09/85/264140985.db2.gz VZXBFTCMDJBWKH-UHFFFAOYSA-N 1 1 344.415 0.355 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000284023797 264181981 /nfs/dbraw/zinc/18/19/81/264181981.db2.gz OJAUOQOCJABPAJ-HNNXBMFYSA-N 1 1 330.388 0.011 20 30 ECEDMO N#Cc1cccnc1N1CCC[N@H+](CCCOC(=O)NC(N)=O)CC1 ZINC000367371903 270007461 /nfs/dbraw/zinc/00/74/61/270007461.db2.gz OMXVJHXBNWGDST-UHFFFAOYSA-N 1 1 346.391 0.660 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000299226796 265354487 /nfs/dbraw/zinc/35/44/87/265354487.db2.gz AYJIUJHXBFASGM-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cnn(C)c2C#N)CC1 ZINC000354383032 266058171 /nfs/dbraw/zinc/05/81/71/266058171.db2.gz IHQIZNPKIHMYOS-UHFFFAOYSA-N 1 1 332.408 0.012 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000360020773 266128259 /nfs/dbraw/zinc/12/82/59/266128259.db2.gz BSQZGNRGHSBZHZ-UHFFFAOYSA-N 1 1 329.397 0.431 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2csc(COC)n2)C1 ZINC001077968895 782038463 /nfs/dbraw/zinc/03/84/63/782038463.db2.gz XRNMUHXYRDETDR-CHWSQXEVSA-N 1 1 325.434 0.569 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000358124554 266601219 /nfs/dbraw/zinc/60/12/19/266601219.db2.gz NUVWVDWAGHJZAZ-OAHLLOKOSA-N 1 1 336.779 0.333 20 30 ECEDMO C[N@H+]1CC[C@]2(CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)C1 ZINC000292103577 266604687 /nfs/dbraw/zinc/60/46/87/266604687.db2.gz IGUFVKFYWQXVNU-INIZCTEOSA-N 1 1 334.445 0.755 20 30 ECEDMO COCC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1 ZINC000339160384 266683665 /nfs/dbraw/zinc/68/36/65/266683665.db2.gz SMCCGKFJPYLNJQ-UHFFFAOYSA-N 1 1 347.419 0.614 20 30 ECEDMO COCC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1 ZINC000339160384 266683666 /nfs/dbraw/zinc/68/36/66/266683666.db2.gz SMCCGKFJPYLNJQ-UHFFFAOYSA-N 1 1 347.419 0.614 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1C#N ZINC000368965684 267474324 /nfs/dbraw/zinc/47/43/24/267474324.db2.gz VBYXNMLDWORVOW-CQSZACIVSA-N 1 1 344.415 0.720 20 30 ECEDMO Cn1cc([C@@H]2C[N@H+](CC(=O)Nc3ccc(C#N)cc3)C[C@H]2CO)cn1 ZINC000365661610 267810326 /nfs/dbraw/zinc/81/03/26/267810326.db2.gz HWUGTAZFTUKYOD-RDJZCZTQSA-N 1 1 339.399 0.938 20 30 ECEDMO Cn1cc([C@@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C[C@H]2CO)cn1 ZINC000365661610 267810329 /nfs/dbraw/zinc/81/03/29/267810329.db2.gz HWUGTAZFTUKYOD-RDJZCZTQSA-N 1 1 339.399 0.938 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)ccc1F ZINC000296181694 268017625 /nfs/dbraw/zinc/01/76/25/268017625.db2.gz LQVVAKLZZSVFBT-ZDUSSCGKSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)ccc1F ZINC000296181694 268017628 /nfs/dbraw/zinc/01/76/28/268017628.db2.gz LQVVAKLZZSVFBT-ZDUSSCGKSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000369464872 268131275 /nfs/dbraw/zinc/13/12/75/268131275.db2.gz LZRRQXHYKBPRLD-HZPDHXFCSA-N 1 1 342.399 0.554 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@](O)(C(N)=O)C2)cc1Cl ZINC000298581121 268137884 /nfs/dbraw/zinc/13/78/84/268137884.db2.gz RAQRKDZSCFHEFA-OAHLLOKOSA-N 1 1 336.779 0.462 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1 ZINC000329157012 268177430 /nfs/dbraw/zinc/17/74/30/268177430.db2.gz CZKCZXYWFOSVTO-OFQRWUPVSA-N 1 1 336.413 0.417 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1 ZINC000329157012 268177431 /nfs/dbraw/zinc/17/74/31/268177431.db2.gz CZKCZXYWFOSVTO-OFQRWUPVSA-N 1 1 336.413 0.417 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)cc1F ZINC000295308155 268202428 /nfs/dbraw/zinc/20/24/28/268202428.db2.gz KUFIKCZUWDSAIH-UHFFFAOYSA-N 1 1 327.381 0.432 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366791538 268277628 /nfs/dbraw/zinc/27/76/28/268277628.db2.gz RMJDIZTVLBLWPC-LSDHHAIUSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000528474250 268302368 /nfs/dbraw/zinc/30/23/68/268302368.db2.gz OWEKDMWDDRWGRA-IVSAIRAKSA-N 1 1 329.400 0.884 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000277116457 268330441 /nfs/dbraw/zinc/33/04/41/268330441.db2.gz YLXSMESSWGNMDF-ZDUSSCGKSA-N 1 1 338.433 0.468 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000340724139 276036749 /nfs/dbraw/zinc/03/67/49/276036749.db2.gz LDGKUXMPUFEFCA-NHYWBVRUSA-N 1 1 335.408 0.103 20 30 ECEDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1CCCn2ncnc21 ZINC000329612398 278099862 /nfs/dbraw/zinc/09/98/62/278099862.db2.gz OLWRQSKGLMNTRC-HZSPNIEDSA-N 1 1 334.424 0.822 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000340726012 278149481 /nfs/dbraw/zinc/14/94/81/278149481.db2.gz FJAABAZZOFHDSY-GFCCVEGCSA-N 1 1 347.419 0.392 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000408098739 280134586 /nfs/dbraw/zinc/13/45/86/280134586.db2.gz HLFDWLVVIYUMJE-BBWFWOEESA-N 1 1 335.496 0.703 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000072813331 436057415 /nfs/dbraw/zinc/05/74/15/436057415.db2.gz AIVMJYSOAGZUDX-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000072813331 436057421 /nfs/dbraw/zinc/05/74/21/436057421.db2.gz AIVMJYSOAGZUDX-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO C#CC[NH+](CC#C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000072906459 436060750 /nfs/dbraw/zinc/06/07/50/436060750.db2.gz YIKUXOTVNVTEKA-UHFFFAOYSA-N 1 1 330.388 0.231 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000075697481 436172116 /nfs/dbraw/zinc/17/21/16/436172116.db2.gz LYWYOLPYAWCMFW-KRWDZBQOSA-N 1 1 337.468 0.137 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000075697481 436172123 /nfs/dbraw/zinc/17/21/23/436172123.db2.gz LYWYOLPYAWCMFW-KRWDZBQOSA-N 1 1 337.468 0.137 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027966576 436184302 /nfs/dbraw/zinc/18/43/02/436184302.db2.gz DZAKKPVULLRPIG-UHFFFAOYSA-N 1 1 336.461 0.937 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000079983422 436310049 /nfs/dbraw/zinc/31/00/49/436310049.db2.gz ZBRQTVUOSOMUMA-ZDUSSCGKSA-N 1 1 330.454 0.010 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000079983422 436310051 /nfs/dbraw/zinc/31/00/51/436310051.db2.gz ZBRQTVUOSOMUMA-ZDUSSCGKSA-N 1 1 330.454 0.010 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000081230185 436340401 /nfs/dbraw/zinc/34/04/01/436340401.db2.gz JGJJHFUEACYFCU-KRWDZBQOSA-N 1 1 328.416 0.533 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000081230185 436340404 /nfs/dbraw/zinc/34/04/04/436340404.db2.gz JGJJHFUEACYFCU-KRWDZBQOSA-N 1 1 328.416 0.533 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](c3nc(C)no3)C2)CC1 ZINC000081667195 436354202 /nfs/dbraw/zinc/35/42/02/436354202.db2.gz SYEXNZDERQOJTI-HNNXBMFYSA-N 1 1 331.420 0.335 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)CC1 ZINC000081667195 436354205 /nfs/dbraw/zinc/35/42/05/436354205.db2.gz SYEXNZDERQOJTI-HNNXBMFYSA-N 1 1 331.420 0.335 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[NH+](C(C)C)CC2)n1 ZINC000091203809 436444487 /nfs/dbraw/zinc/44/44/87/436444487.db2.gz CFMSXKPQUPXZMB-UHFFFAOYSA-N 1 1 332.408 0.827 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)CC1 ZINC000091555809 436452957 /nfs/dbraw/zinc/45/29/57/436452957.db2.gz NPMKZTUSAYEZPP-HZPDHXFCSA-N 1 1 349.479 0.409 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000092014770 436464119 /nfs/dbraw/zinc/46/41/19/436464119.db2.gz JXNHXDNTHSEBHM-MRXNPFEDSA-N 1 1 328.372 0.952 20 30 ECEDMO CN(CCC#N)C(=O)CCN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000092806492 436476166 /nfs/dbraw/zinc/47/61/66/436476166.db2.gz ILWWCJPEKINPFV-HNNXBMFYSA-N 1 1 335.452 0.163 20 30 ECEDMO CN(CCC#N)C(=O)CCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000092806492 436476168 /nfs/dbraw/zinc/47/61/68/436476168.db2.gz ILWWCJPEKINPFV-HNNXBMFYSA-N 1 1 335.452 0.163 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000092801073 436476812 /nfs/dbraw/zinc/47/68/12/436476812.db2.gz ZOVDGVDTLZXMCJ-UHFFFAOYSA-N 1 1 330.454 0.104 20 30 ECEDMO C[NH+]1CCN(C(=O)CN2CCCN(c3ncccc3C#N)CC2)CC1 ZINC000093159858 436481726 /nfs/dbraw/zinc/48/17/26/436481726.db2.gz VYWLWARIKVNDGW-UHFFFAOYSA-N 1 1 342.447 0.239 20 30 ECEDMO CN1CCN(C(=O)C[N@@H+]2CCCN(c3ncccc3C#N)CC2)CC1 ZINC000093159858 436481729 /nfs/dbraw/zinc/48/17/29/436481729.db2.gz VYWLWARIKVNDGW-UHFFFAOYSA-N 1 1 342.447 0.239 20 30 ECEDMO CN1CCN(C(=O)C[N@H+]2CCCN(c3ncccc3C#N)CC2)CC1 ZINC000093159858 436481732 /nfs/dbraw/zinc/48/17/32/436481732.db2.gz VYWLWARIKVNDGW-UHFFFAOYSA-N 1 1 342.447 0.239 20 30 ECEDMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000052588552 436510776 /nfs/dbraw/zinc/51/07/76/436510776.db2.gz KSLKPUINRBIRCJ-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO CNC(=O)NC(=O)CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000101586684 436548870 /nfs/dbraw/zinc/54/88/70/436548870.db2.gz GCWJGKBEQGSLNM-HNNXBMFYSA-N 1 1 329.404 0.715 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000054994049 436562762 /nfs/dbraw/zinc/56/27/62/436562762.db2.gz QFJAQDSJLJZIOT-MRXNPFEDSA-N 1 1 335.448 0.758 20 30 ECEDMO N#C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000106328102 436592202 /nfs/dbraw/zinc/59/22/02/436592202.db2.gz LXTHBBARLJDMEX-HNNXBMFYSA-N 1 1 336.436 0.955 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000057714925 436613934 /nfs/dbraw/zinc/61/39/34/436613934.db2.gz RLXJGGPHGMZMRS-ZDUSSCGKSA-N 1 1 349.456 0.811 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195304338 436688341 /nfs/dbraw/zinc/68/83/41/436688341.db2.gz AZOWCLSYCZZLRX-HZSPNIEDSA-N 1 1 326.441 0.428 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195304338 436688344 /nfs/dbraw/zinc/68/83/44/436688344.db2.gz AZOWCLSYCZZLRX-HZSPNIEDSA-N 1 1 326.441 0.428 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2sccc2C#N)CC1 ZINC000152353153 436728092 /nfs/dbraw/zinc/72/80/92/436728092.db2.gz UDJQDVHDAWCBMV-ZDUSSCGKSA-N 1 1 332.429 0.998 20 30 ECEDMO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000152967878 436745503 /nfs/dbraw/zinc/74/55/03/436745503.db2.gz RUMIPMCFWZROLI-ZIAGYGMSSA-N 1 1 336.417 0.098 20 30 ECEDMO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153272977 436752578 /nfs/dbraw/zinc/75/25/78/436752578.db2.gz PUTHHRFPMXJCMX-RYUDHWBXSA-N 1 1 334.424 0.412 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000249114178 436816043 /nfs/dbraw/zinc/81/60/43/436816043.db2.gz PHUITNMRRXMNJI-LSDHHAIUSA-N 1 1 336.436 0.318 20 30 ECEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000246300304 436777909 /nfs/dbraw/zinc/77/79/09/436777909.db2.gz BTUHNQQEBBBYIX-GOEBONIOSA-N 1 1 346.431 0.510 20 30 ECEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000246300304 436777912 /nfs/dbraw/zinc/77/79/12/436777912.db2.gz BTUHNQQEBBBYIX-GOEBONIOSA-N 1 1 346.431 0.510 20 30 ECEDMO C=CCCOCCNC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000127365785 436800854 /nfs/dbraw/zinc/80/08/54/436800854.db2.gz JXHULTRQFFDJNQ-UHFFFAOYSA-N 1 1 326.441 0.385 20 30 ECEDMO C=CCCOCCNC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000127365785 436800858 /nfs/dbraw/zinc/80/08/58/436800858.db2.gz JXHULTRQFFDJNQ-UHFFFAOYSA-N 1 1 326.441 0.385 20 30 ECEDMO C#CC[N@@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)C1CCCC1 ZINC000155791513 436803971 /nfs/dbraw/zinc/80/39/71/436803971.db2.gz LYRSOXPCNDEQIS-UHFFFAOYSA-N 1 1 346.431 0.835 20 30 ECEDMO C#CC[N@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)C1CCCC1 ZINC000155791513 436803974 /nfs/dbraw/zinc/80/39/74/436803974.db2.gz LYRSOXPCNDEQIS-UHFFFAOYSA-N 1 1 346.431 0.835 20 30 ECEDMO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000279777326 436840979 /nfs/dbraw/zinc/84/09/79/436840979.db2.gz UAXLWVNZOWXDPU-WBVHZDCISA-N 1 1 333.432 0.950 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OCC ZINC000293402399 436873368 /nfs/dbraw/zinc/87/33/68/436873368.db2.gz OMIREHQYILPDPF-UHFFFAOYSA-N 1 1 342.399 0.967 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000157762535 436834296 /nfs/dbraw/zinc/83/42/96/436834296.db2.gz RTSOCCMEEOXYIN-KRWDZBQOSA-N 1 1 328.460 0.878 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000157762535 436834299 /nfs/dbraw/zinc/83/42/99/436834299.db2.gz RTSOCCMEEOXYIN-KRWDZBQOSA-N 1 1 328.460 0.878 20 30 ECEDMO C#CCNC(=O)[C@H](C)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000157762535 436834301 /nfs/dbraw/zinc/83/43/01/436834301.db2.gz RTSOCCMEEOXYIN-KRWDZBQOSA-N 1 1 328.460 0.878 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000293847635 436913436 /nfs/dbraw/zinc/91/34/36/436913436.db2.gz RAGWYDFGZHHXOY-UHFFFAOYSA-N 1 1 328.390 0.608 20 30 ECEDMO Cn1c(=O)c(C#N)c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n(C)c1=O ZINC000161897867 436897582 /nfs/dbraw/zinc/89/75/82/436897582.db2.gz KKQKBIOUYLXAML-IUODEOHRSA-N 1 1 343.431 0.409 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000293772064 436907702 /nfs/dbraw/zinc/90/77/02/436907702.db2.gz LBVKPQWBNNEINW-UHFFFAOYSA-N 1 1 349.412 0.146 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000293771515 436908218 /nfs/dbraw/zinc/90/82/18/436908218.db2.gz KXYRHGCANNYQSG-UHFFFAOYSA-N 1 1 335.433 0.510 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC000294052960 436930003 /nfs/dbraw/zinc/93/00/03/436930003.db2.gz UHRYRXBCVXHBRJ-OAHLLOKOSA-N 1 1 345.447 0.267 20 30 ECEDMO C#CCOc1ccccc1C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000280944937 436935352 /nfs/dbraw/zinc/93/53/52/436935352.db2.gz IGXGQWLWSFYBPZ-UHFFFAOYSA-N 1 1 337.445 0.717 20 30 ECEDMO CNC(=O)[C@]1(C)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000281165445 436952251 /nfs/dbraw/zinc/95/22/51/436952251.db2.gz QAIKNYXMEMBYGV-MRXNPFEDSA-N 1 1 335.429 0.790 20 30 ECEDMO CNC(=O)[C@]1(C)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000281165445 436952254 /nfs/dbraw/zinc/95/22/54/436952254.db2.gz QAIKNYXMEMBYGV-MRXNPFEDSA-N 1 1 335.429 0.790 20 30 ECEDMO C#CCO[C@H](C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000294714200 436960712 /nfs/dbraw/zinc/96/07/12/436960712.db2.gz ZUAFIIKINYXKGA-OAHLLOKOSA-N 1 1 343.427 0.980 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NCC[N@H+]1CCCOCC1 ZINC000275869270 437024083 /nfs/dbraw/zinc/02/40/83/437024083.db2.gz OQCOWYBPISSVIY-UHFFFAOYSA-N 1 1 333.388 0.784 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000298138405 437029071 /nfs/dbraw/zinc/02/90/71/437029071.db2.gz ZWCLXDACFDGHPB-HNNXBMFYSA-N 1 1 335.429 0.749 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)C1=O ZINC000296782000 436997468 /nfs/dbraw/zinc/99/74/68/436997468.db2.gz QGFAWQYMGLWLGA-OLZOCXBDSA-N 1 1 327.425 0.591 20 30 ECEDMO C#CCNC(=O)CCN1C[C@@H](C)[N@H+](CCC(=O)NCC#C)CC1(C)C ZINC000296833557 436997636 /nfs/dbraw/zinc/99/76/36/436997636.db2.gz WQMLCFXTRRDMNZ-MRXNPFEDSA-N 1 1 346.475 0.050 20 30 ECEDMO C#CCNC(=O)CCN1CC(C)(C)[N@@H+](CCC(=O)NCC#C)C[C@H]1C ZINC000296833557 436997640 /nfs/dbraw/zinc/99/76/40/436997640.db2.gz WQMLCFXTRRDMNZ-MRXNPFEDSA-N 1 1 346.475 0.050 20 30 ECEDMO C#CCNC(=O)CCN1CC(C)(C)[N@H+](CCC(=O)NCC#C)C[C@H]1C ZINC000296833557 436997642 /nfs/dbraw/zinc/99/76/42/436997642.db2.gz WQMLCFXTRRDMNZ-MRXNPFEDSA-N 1 1 346.475 0.050 20 30 ECEDMO CC(=O)NC[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000172182467 437002162 /nfs/dbraw/zinc/00/21/62/437002162.db2.gz VUQGEGSYKJXTAM-INIZCTEOSA-N 1 1 330.388 0.724 20 30 ECEDMO CC(=O)NC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000172182467 437002166 /nfs/dbraw/zinc/00/21/66/437002166.db2.gz VUQGEGSYKJXTAM-INIZCTEOSA-N 1 1 330.388 0.724 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[N@@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000282101294 437009954 /nfs/dbraw/zinc/00/99/54/437009954.db2.gz WBDKFAOAIKXRBW-CALCHBBNSA-N 1 1 346.475 0.568 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[N@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000282101294 437009958 /nfs/dbraw/zinc/00/99/58/437009958.db2.gz WBDKFAOAIKXRBW-CALCHBBNSA-N 1 1 346.475 0.568 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000282101294 437009960 /nfs/dbraw/zinc/00/99/60/437009960.db2.gz WBDKFAOAIKXRBW-CALCHBBNSA-N 1 1 346.475 0.568 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000282101294 437009964 /nfs/dbraw/zinc/00/99/64/437009964.db2.gz WBDKFAOAIKXRBW-CALCHBBNSA-N 1 1 346.475 0.568 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)cc1C ZINC000284932741 437074240 /nfs/dbraw/zinc/07/42/40/437074240.db2.gz IHIBWLYQDPJPTF-SFHVURJKSA-N 1 1 344.415 0.472 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)cc1C ZINC000284932741 437074243 /nfs/dbraw/zinc/07/42/43/437074243.db2.gz IHIBWLYQDPJPTF-SFHVURJKSA-N 1 1 344.415 0.472 20 30 ECEDMO N#Cc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264587814 437050765 /nfs/dbraw/zinc/05/07/65/437050765.db2.gz KZXLXZAKDBLDCH-HNNXBMFYSA-N 1 1 329.404 0.697 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285554086 437079686 /nfs/dbraw/zinc/07/96/86/437079686.db2.gz JBLXROCSZBDJOH-HNNXBMFYSA-N 1 1 343.493 0.790 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285554086 437079688 /nfs/dbraw/zinc/07/96/88/437079688.db2.gz JBLXROCSZBDJOH-HNNXBMFYSA-N 1 1 343.493 0.790 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000286422552 437089814 /nfs/dbraw/zinc/08/98/14/437089814.db2.gz GLMTZXRVJLHPAJ-CYBMUJFWSA-N 1 1 343.493 0.325 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000286422552 437089818 /nfs/dbraw/zinc/08/98/18/437089818.db2.gz GLMTZXRVJLHPAJ-CYBMUJFWSA-N 1 1 343.493 0.325 20 30 ECEDMO CNC(=O)NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299610828 437094586 /nfs/dbraw/zinc/09/45/86/437094586.db2.gz HOJJXARJNGTBLN-UHFFFAOYSA-N 1 1 343.387 0.664 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](CC)CC2)c1 ZINC000299671178 437100617 /nfs/dbraw/zinc/10/06/17/437100617.db2.gz YSESYPMSQOSYFY-UHFFFAOYSA-N 1 1 349.456 0.766 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000331912148 437180471 /nfs/dbraw/zinc/18/04/71/437180471.db2.gz DBWLLOUDZWMYSV-ZIAGYGMSSA-N 1 1 329.466 0.787 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@H+]1C[C@@H](C)O ZINC000331912148 437180473 /nfs/dbraw/zinc/18/04/73/437180473.db2.gz DBWLLOUDZWMYSV-ZIAGYGMSSA-N 1 1 329.466 0.787 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000316985644 437190724 /nfs/dbraw/zinc/19/07/24/437190724.db2.gz KQHMCEZKJMBXIL-CQSZACIVSA-N 1 1 342.442 0.499 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](CO)C3)CC2)o1 ZINC000177669083 437194884 /nfs/dbraw/zinc/19/48/84/437194884.db2.gz PWFFZCXCYFJFLI-AWEZNQCLSA-N 1 1 347.419 0.208 20 30 ECEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ncnn1C(C)(C)C ZINC000328829667 437268848 /nfs/dbraw/zinc/26/88/48/437268848.db2.gz QXJNNIPSFKAECG-CYBMUJFWSA-N 1 1 337.472 0.673 20 30 ECEDMO COC(=O)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CCCO1 ZINC000325380235 437227855 /nfs/dbraw/zinc/22/78/55/437227855.db2.gz NEIIRPVQMLERKE-PBHICJAKSA-N 1 1 337.420 0.839 20 30 ECEDMO COC(=O)CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CCCO1 ZINC000325380235 437227859 /nfs/dbraw/zinc/22/78/59/437227859.db2.gz NEIIRPVQMLERKE-PBHICJAKSA-N 1 1 337.420 0.839 20 30 ECEDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000332510807 437229003 /nfs/dbraw/zinc/22/90/03/437229003.db2.gz ZKZZUCRPIHQCTJ-ZDUSSCGKSA-N 1 1 342.465 0.343 20 30 ECEDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000332510807 437229009 /nfs/dbraw/zinc/22/90/09/437229009.db2.gz ZKZZUCRPIHQCTJ-ZDUSSCGKSA-N 1 1 342.465 0.343 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)NCC2CCN(S(C)(=O)=O)CC2)CC[N@H+]1C ZINC000328707911 437253837 /nfs/dbraw/zinc/25/38/37/437253837.db2.gz ZRPFUHNHGFZJQT-OCCSQVGLSA-N 1 1 346.497 0.644 20 30 ECEDMO CNC(=O)N1CC[NH+](CCc2c(C)nc3sccn3c2=O)CC1 ZINC000329026184 437305989 /nfs/dbraw/zinc/30/59/89/437305989.db2.gz VNNKPYGKPAKKPS-UHFFFAOYSA-N 1 1 335.433 0.768 20 30 ECEDMO CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000329053489 437309327 /nfs/dbraw/zinc/30/93/27/437309327.db2.gz AGXJOMJPESCHDE-DGCLKSJQSA-N 1 1 344.481 0.744 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000336919588 437310638 /nfs/dbraw/zinc/31/06/38/437310638.db2.gz QEMFBKXKRCOBQH-RBSFLKMASA-N 1 1 346.497 0.802 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000336919587 437310886 /nfs/dbraw/zinc/31/08/86/437310886.db2.gz QEMFBKXKRCOBQH-KFWWJZLASA-N 1 1 346.497 0.802 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000336919587 437310887 /nfs/dbraw/zinc/31/08/87/437310887.db2.gz QEMFBKXKRCOBQH-KFWWJZLASA-N 1 1 346.497 0.802 20 30 ECEDMO C[N@@H+](CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CCCCC1 ZINC000336925414 437312348 /nfs/dbraw/zinc/31/23/48/437312348.db2.gz UXEKPAQYVGRUGP-AWEZNQCLSA-N 1 1 330.454 0.310 20 30 ECEDMO CNC(=O)N[C@H]1CC[N@@H+](CCc2c(C)nc3sccn3c2=O)C1 ZINC000329096186 437316845 /nfs/dbraw/zinc/31/68/45/437316845.db2.gz YDBYHSWKSZHULR-NSHDSACASA-N 1 1 335.433 0.815 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCO1 ZINC000329122243 437320506 /nfs/dbraw/zinc/32/05/06/437320506.db2.gz WQFBLVMALPJQJN-KFWWJZLASA-N 1 1 338.452 0.706 20 30 ECEDMO CC[N@H+](CCC#N)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000266967273 437271981 /nfs/dbraw/zinc/27/19/81/437271981.db2.gz YRFKUUZKJSIELS-UHFFFAOYSA-N 1 1 335.408 0.898 20 30 ECEDMO CC[N@@H+](CCC#N)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000266967273 437271986 /nfs/dbraw/zinc/27/19/86/437271986.db2.gz YRFKUUZKJSIELS-UHFFFAOYSA-N 1 1 335.408 0.898 20 30 ECEDMO Cn1cc(N2CC[C@@H](NC(=O)C[N@@H+](C)[C@H]3CCSC3)C2=O)cn1 ZINC000328847612 437273104 /nfs/dbraw/zinc/27/31/04/437273104.db2.gz YDCDOQVTYGPROW-WCQYABFASA-N 1 1 337.449 0.919 20 30 ECEDMO C[C@@H](NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1cn[nH]c1 ZINC000328878773 437276543 /nfs/dbraw/zinc/27/65/43/437276543.db2.gz UUCOIJZPJYQZRL-CYBMUJFWSA-N 1 1 348.451 0.871 20 30 ECEDMO Cn1nccc1[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC(=O)N1C ZINC000328877112 437277529 /nfs/dbraw/zinc/27/75/29/437277529.db2.gz IJCSYCMMDSQVIT-IOASZLSFSA-N 1 1 348.451 0.142 20 30 ECEDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000328893187 437280884 /nfs/dbraw/zinc/28/08/84/437280884.db2.gz ABQHSIGFNQNICX-YCPHGPKFSA-N 1 1 337.424 0.629 20 30 ECEDMO C[C@H](CNC(=O)N1CCO[C@@]2(CCCOC2)C1)C[NH+]1CCOCC1 ZINC000329274930 437343813 /nfs/dbraw/zinc/34/38/13/437343813.db2.gz KOAVJLFXCMMHIC-WBVHZDCISA-N 1 1 341.452 0.750 20 30 ECEDMO Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2=O)n1 ZINC000329286857 437345645 /nfs/dbraw/zinc/34/56/45/437345645.db2.gz GZZPKRRKXKZQQF-JSGCOSHPSA-N 1 1 346.435 0.656 20 30 ECEDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)C1 ZINC000329308031 437349679 /nfs/dbraw/zinc/34/96/79/437349679.db2.gz ZKWABTJBZJWOBO-WQGACYEGSA-N 1 1 337.424 0.460 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000329301508 437349910 /nfs/dbraw/zinc/34/99/10/437349910.db2.gz VWGYNQAVBJBYDD-DYEKYZERSA-N 1 1 329.466 0.798 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000329301508 437349913 /nfs/dbraw/zinc/34/99/13/437349913.db2.gz VWGYNQAVBJBYDD-DYEKYZERSA-N 1 1 329.466 0.798 20 30 ECEDMO CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329320354 437351639 /nfs/dbraw/zinc/35/16/39/437351639.db2.gz UBKAEMHPJIBACA-GFCCVEGCSA-N 1 1 330.454 0.104 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)C1 ZINC000329198666 437333669 /nfs/dbraw/zinc/33/36/69/437333669.db2.gz APLRDGIAZNNXQT-RRFJBIMHSA-N 1 1 327.425 0.501 20 30 ECEDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000329506663 437376261 /nfs/dbraw/zinc/37/62/61/437376261.db2.gz APYJIUNHDYEVIS-XJFOESAGSA-N 1 1 340.424 0.778 20 30 ECEDMO C[C@@H](C#N)C[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC000338383875 437407623 /nfs/dbraw/zinc/40/76/23/437407623.db2.gz ZBEPYJDUXAMBOI-LBPRGKRZSA-N 1 1 344.419 0.448 20 30 ECEDMO C[C@@H](C#N)C[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC000338383875 437407629 /nfs/dbraw/zinc/40/76/29/437407629.db2.gz ZBEPYJDUXAMBOI-LBPRGKRZSA-N 1 1 344.419 0.448 20 30 ECEDMO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCCCS2(=O)=O)CCO1 ZINC000329764600 437410777 /nfs/dbraw/zinc/41/07/77/437410777.db2.gz VXAGWQKCQKENAZ-CHWSQXEVSA-N 1 1 333.454 0.130 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCOC2)CC1 ZINC000329765064 437410989 /nfs/dbraw/zinc/41/09/89/437410989.db2.gz WNPALLUJKHUSOC-HUUCEWRRSA-N 1 1 338.452 0.565 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])NC1CC[NH+](C3CC3)CC1)CC2 ZINC000329806586 437417047 /nfs/dbraw/zinc/41/70/47/437417047.db2.gz OANADZBGYUZXAR-CYBMUJFWSA-N 1 1 348.451 0.870 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC[N@H+]1C ZINC000329816068 437417165 /nfs/dbraw/zinc/41/71/65/437417165.db2.gz VSSHOPJDJJPVHG-BZPMIXESSA-N 1 1 334.424 0.512 20 30 ECEDMO C[C@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)CN1CC[NH+](C)CC1 ZINC000329877998 437424948 /nfs/dbraw/zinc/42/49/48/437424948.db2.gz KBKPBQWUHVBEOP-GFCCVEGCSA-N 1 1 339.440 0.997 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H](NC(=O)C3CC3)[C@@H](C)O)[C@H]2C1 ZINC000329510957 437378745 /nfs/dbraw/zinc/37/87/45/437378745.db2.gz BXPRAWQGXUZXIV-FAAHXZRKSA-N 1 1 339.436 0.424 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000289104286 437382246 /nfs/dbraw/zinc/38/22/46/437382246.db2.gz HMEWCWQVOMSKAX-JKSUJKDBSA-N 1 1 335.429 0.793 20 30 ECEDMO [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329636207 437395748 /nfs/dbraw/zinc/39/57/48/437395748.db2.gz UXSWNWHJRNMLLO-UONOGXRCSA-N 1 1 333.436 0.835 20 30 ECEDMO CO/N=C/c1ccc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000186678749 437481000 /nfs/dbraw/zinc/48/10/00/437481000.db2.gz BDBLRNHJMXYEDC-YODDIOPGSA-N 1 1 344.415 0.703 20 30 ECEDMO C[C@@H]1CCS(=O)(=O)CCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000330319518 437482434 /nfs/dbraw/zinc/48/24/34/437482434.db2.gz DHQKKQYPQGJZIA-OCCSQVGLSA-N 1 1 349.522 0.847 20 30 ECEDMO COCCn1nnc2c1CCN(C(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000330340521 437486244 /nfs/dbraw/zinc/48/62/44/437486244.db2.gz YAISUVSKCUBRHF-HIFRSBDPSA-N 1 1 348.451 0.823 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000329958402 437437431 /nfs/dbraw/zinc/43/74/31/437437431.db2.gz QPKGJHNHIPMJKL-CWRNSKLLSA-N 1 1 349.435 0.759 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC[N@H+]1C ZINC000329987480 437441829 /nfs/dbraw/zinc/44/18/29/437441829.db2.gz SRKMKGSCMXPLPY-SHPPOPEUSA-N 1 1 349.435 0.758 20 30 ECEDMO C[C@@H](CNC(=O)Nc1ccc(C2CC2)nn1)CN1CC[NH+](C)CC1 ZINC000330038506 437446635 /nfs/dbraw/zinc/44/66/35/437446635.db2.gz BLKGZBDHWMIBJK-ZDUSSCGKSA-N 1 1 332.452 1.563 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CCc3c(ncn(C)c3=O)C2)C[N@H+]1C1CC1 ZINC000330111169 437455886 /nfs/dbraw/zinc/45/58/86/437455886.db2.gz RATNFFJXGRKVFR-NEPJUHHUSA-N 1 1 331.420 0.678 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339416506 437465592 /nfs/dbraw/zinc/46/55/92/437465592.db2.gz GHPDAUMJZPDNOM-UNEWFSDZSA-N 1 1 348.451 0.850 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339416506 437465597 /nfs/dbraw/zinc/46/55/97/437465597.db2.gz GHPDAUMJZPDNOM-UNEWFSDZSA-N 1 1 348.451 0.850 20 30 ECEDMO COCCN1CN(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC000330393244 437500208 /nfs/dbraw/zinc/50/02/08/437500208.db2.gz KEJXDPDNVQRUMV-KGLIPLIRSA-N 1 1 326.441 0.769 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](CO)CC2)CC1 ZINC000339751337 437503656 /nfs/dbraw/zinc/50/36/56/437503656.db2.gz SFLDNWJBDWTWED-IRXDYDNUSA-N 1 1 336.480 0.773 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCCCC#N)C[C@H](C)O1 ZINC000339841110 437505638 /nfs/dbraw/zinc/50/56/38/437505638.db2.gz CASQPDQLCMWTCH-OKILXGFUSA-N 1 1 338.452 0.800 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCCC#N)C[C@H](C)O1 ZINC000339841110 437505641 /nfs/dbraw/zinc/50/56/41/437505641.db2.gz CASQPDQLCMWTCH-OKILXGFUSA-N 1 1 338.452 0.800 20 30 ECEDMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccco1 ZINC000339835489 437505815 /nfs/dbraw/zinc/50/58/15/437505815.db2.gz ABKGEFJAYZAQPS-LBPRGKRZSA-N 1 1 327.344 0.904 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000330426425 437509236 /nfs/dbraw/zinc/50/92/36/437509236.db2.gz DZHWMOHDFNTHCS-GFCCVEGCSA-N 1 1 340.453 0.457 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000187626298 437509638 /nfs/dbraw/zinc/50/96/38/437509638.db2.gz KJNHHCVTQCBKDM-ZDUSSCGKSA-N 1 1 344.415 0.800 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O ZINC000187626298 437509642 /nfs/dbraw/zinc/50/96/42/437509642.db2.gz KJNHHCVTQCBKDM-ZDUSSCGKSA-N 1 1 344.415 0.800 20 30 ECEDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCCCC#N)CC1 ZINC000343138759 437515621 /nfs/dbraw/zinc/51/56/21/437515621.db2.gz CZPJKIUAFFQXPW-INIZCTEOSA-N 1 1 349.479 0.425 20 30 ECEDMO C=CCCCCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000340001607 437544492 /nfs/dbraw/zinc/54/44/92/437544492.db2.gz XDXVXENNVCKYAJ-INIZCTEOSA-N 1 1 338.496 0.847 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000330557954 437552774 /nfs/dbraw/zinc/55/27/74/437552774.db2.gz IDGCOVWPOSUYMY-RHSMWYFYSA-N 1 1 336.436 0.196 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1C#N ZINC000291194974 437568432 /nfs/dbraw/zinc/56/84/32/437568432.db2.gz UHHGTFLLLMGOIH-CYBMUJFWSA-N 1 1 335.433 0.302 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1C#N ZINC000291194974 437568437 /nfs/dbraw/zinc/56/84/37/437568437.db2.gz UHHGTFLLLMGOIH-CYBMUJFWSA-N 1 1 335.433 0.302 20 30 ECEDMO C[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000360317557 437581801 /nfs/dbraw/zinc/58/18/01/437581801.db2.gz QNMGCNDTKLFKQJ-KDOFPFPSSA-N 1 1 331.416 0.861 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCCO2)CC1 ZINC000330675990 437586582 /nfs/dbraw/zinc/58/65/82/437586582.db2.gz HZSVGFPDGAXQBR-AWEZNQCLSA-N 1 1 326.441 0.612 20 30 ECEDMO CC#CCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000190533538 437628240 /nfs/dbraw/zinc/62/82/40/437628240.db2.gz XDAKYGKXTYLTKL-UHFFFAOYSA-N 1 1 328.416 0.907 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000340349343 437632017 /nfs/dbraw/zinc/63/20/17/437632017.db2.gz FVZHAIVURLWWGG-UHFFFAOYSA-N 1 1 338.496 0.945 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1ccc(C#N)s1)[C@H]1CCS(=O)(=O)C1 ZINC000343728544 437639349 /nfs/dbraw/zinc/63/93/49/437639349.db2.gz NIGNVKJNOIHDOU-NSHDSACASA-N 1 1 341.458 0.811 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000343739814 437643172 /nfs/dbraw/zinc/64/31/72/437643172.db2.gz NEIYXXIJAAOYTK-ZBFHGGJFSA-N 1 1 336.480 0.552 20 30 ECEDMO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000191081214 437645921 /nfs/dbraw/zinc/64/59/21/437645921.db2.gz OYLWTPGMLFKZTQ-HNNXBMFYSA-N 1 1 333.436 0.648 20 30 ECEDMO C=CC[N@H+](CCOC)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000191081214 437645927 /nfs/dbraw/zinc/64/59/27/437645927.db2.gz OYLWTPGMLFKZTQ-HNNXBMFYSA-N 1 1 333.436 0.648 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC2(CC1)[C@H](OCC)C[C@@H]2O ZINC000360941908 437653047 /nfs/dbraw/zinc/65/30/47/437653047.db2.gz OBJDJXZBLDHPJJ-QWHCGFSZSA-N 1 1 325.409 0.250 20 30 ECEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000354878527 437654956 /nfs/dbraw/zinc/65/49/56/437654956.db2.gz JHRDBHUPOFDNST-ZDUSSCGKSA-N 1 1 348.451 1.280 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000361355270 437659959 /nfs/dbraw/zinc/65/99/59/437659959.db2.gz XFUXBBDAWDFGER-UHFFFAOYSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC[C@@H]2C)CC1 ZINC000192007989 437660406 /nfs/dbraw/zinc/66/04/06/437660406.db2.gz IHCOPWIXPIZQHI-ZDUSSCGKSA-N 1 1 329.466 0.855 20 30 ECEDMO C[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)CN1CC[NH+](C)CC1 ZINC000361440395 437662650 /nfs/dbraw/zinc/66/26/50/437662650.db2.gz OXVLXTZBBQKOES-WBVHZDCISA-N 1 1 348.495 0.252 20 30 ECEDMO Cn1c(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(C#N)c(=O)n(C)c1=O ZINC000361809982 437690009 /nfs/dbraw/zinc/69/00/09/437690009.db2.gz BGMIVBABRWPQSL-KGLIPLIRSA-N 1 1 347.419 0.011 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000192741675 437690198 /nfs/dbraw/zinc/69/01/98/437690198.db2.gz FAGVINDCTPFISA-GJZGRUSLSA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1CC[N@H+]1CCOC[C@@H]1C ZINC000192741675 437690203 /nfs/dbraw/zinc/69/02/03/437690203.db2.gz FAGVINDCTPFISA-GJZGRUSLSA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@H]1COCCN1CC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000192741675 437690205 /nfs/dbraw/zinc/69/02/05/437690205.db2.gz FAGVINDCTPFISA-GJZGRUSLSA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@H]1COCCN1CC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000192741675 437690208 /nfs/dbraw/zinc/69/02/08/437690208.db2.gz FAGVINDCTPFISA-GJZGRUSLSA-N 1 1 330.436 0.579 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000343898549 437688571 /nfs/dbraw/zinc/68/85/71/437688571.db2.gz ZNFJSOBQOAVNAF-GDBMZVCRSA-N 1 1 336.480 0.742 20 30 ECEDMO CN(C(=O)CCCC#N)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000362190534 437721154 /nfs/dbraw/zinc/72/11/54/437721154.db2.gz NAHPXJYWCBLMIA-UHFFFAOYSA-N 1 1 349.479 0.377 20 30 ECEDMO C=CCC[C@@H](O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292773057 437721480 /nfs/dbraw/zinc/72/14/80/437721480.db2.gz PIGRGWQYDFVUBT-CYBMUJFWSA-N 1 1 328.434 0.972 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000355643937 437722846 /nfs/dbraw/zinc/72/28/46/437722846.db2.gz NROYEFHGYNSEED-UHFFFAOYSA-N 1 1 342.403 0.634 20 30 ECEDMO CCc1cnc(N2CC[NH+](CCC(=O)NC(=O)NC)CC2)s1 ZINC000331235844 437723627 /nfs/dbraw/zinc/72/36/27/437723627.db2.gz HBPVMPYYGBELHF-UHFFFAOYSA-N 1 1 325.438 0.878 20 30 ECEDMO COC[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000331303702 437737293 /nfs/dbraw/zinc/73/72/93/437737293.db2.gz QLCNLNMVCHMQLO-CABCVRRESA-N 1 1 342.484 0.662 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000340935480 437760192 /nfs/dbraw/zinc/76/01/92/437760192.db2.gz SOGARILGAUNDFQ-AWEZNQCLSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000340935480 437760195 /nfs/dbraw/zinc/76/01/95/437760195.db2.gz SOGARILGAUNDFQ-AWEZNQCLSA-N 1 1 346.362 0.615 20 30 ECEDMO C#CCNC(=O)C1CC[NH+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000363285529 437779009 /nfs/dbraw/zinc/77/90/09/437779009.db2.gz MUSXXPBPPWCVFI-HNNXBMFYSA-N 1 1 343.431 0.377 20 30 ECEDMO C[C@@H](CCNC(=O)NCC(=O)NCC#N)[N@@H+](C)Cc1ccccc1 ZINC000345236331 437783365 /nfs/dbraw/zinc/78/33/65/437783365.db2.gz GPYXTUGYNJNRQQ-AWEZNQCLSA-N 1 1 331.420 0.836 20 30 ECEDMO N#CCCn1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000370603959 437809657 /nfs/dbraw/zinc/80/96/57/437809657.db2.gz NDTCKEGNUIEQRC-HUUCEWRRSA-N 1 1 346.435 1.562 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000346445533 437811426 /nfs/dbraw/zinc/81/14/26/437811426.db2.gz NCNZJYQASBNQPH-CHWSQXEVSA-N 1 1 342.465 0.199 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000346445533 437811431 /nfs/dbraw/zinc/81/14/31/437811431.db2.gz NCNZJYQASBNQPH-CHWSQXEVSA-N 1 1 342.465 0.199 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(C2N=NC(=O)N2CC)CC1 ZINC000370931181 437857979 /nfs/dbraw/zinc/85/79/79/437857979.db2.gz NREPUGYMQULOQL-UHFFFAOYSA-N 1 1 336.396 0.195 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000371322577 437921121 /nfs/dbraw/zinc/92/11/21/437921121.db2.gz ZZIZWIUTCWZZQJ-ZFWWWQNUSA-N 1 1 335.452 0.161 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000357006603 437885797 /nfs/dbraw/zinc/88/57/97/437885797.db2.gz SLTKKGYLSMWBCK-ZDUSSCGKSA-N 1 1 330.454 0.010 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366306007 438050403 /nfs/dbraw/zinc/05/04/03/438050403.db2.gz FFKUYBAHOVZNPM-JHJVBQTASA-N 1 1 332.404 0.312 20 30 ECEDMO CN1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1C#N ZINC000372151934 438040722 /nfs/dbraw/zinc/04/07/22/438040722.db2.gz AXAVDIIQUMKSCQ-INIZCTEOSA-N 1 1 349.479 0.871 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000425909104 438046223 /nfs/dbraw/zinc/04/62/23/438046223.db2.gz MCXQPBHCTFQMFH-ULQDDVLXSA-N 1 1 349.475 0.884 20 30 ECEDMO Cn1c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(=O)n(C)c1=O ZINC000366439163 438075231 /nfs/dbraw/zinc/07/52/31/438075231.db2.gz MOOUMHNCZKSCAY-AWEZNQCLSA-N 1 1 341.371 0.004 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000430398457 438111237 /nfs/dbraw/zinc/11/12/37/438111237.db2.gz IREVWUROYJHDET-OAGGEKHMSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000430748403 438122021 /nfs/dbraw/zinc/12/20/21/438122021.db2.gz DKGXNHJUGPQLMO-QGZVFWFLSA-N 1 1 346.431 0.141 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000358066830 438139564 /nfs/dbraw/zinc/13/95/64/438139564.db2.gz MZMZITMXOLQJNR-HZPDHXFCSA-N 1 1 325.409 0.431 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000431971427 438178032 /nfs/dbraw/zinc/17/80/32/438178032.db2.gz UAYVSTMNYWSLJQ-CQSZACIVSA-N 1 1 329.404 0.167 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000367195344 438180582 /nfs/dbraw/zinc/18/05/82/438180582.db2.gz HXHSBQXDNOZEDM-KRWDZBQOSA-N 1 1 340.427 0.455 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000358207235 438182464 /nfs/dbraw/zinc/18/24/64/438182464.db2.gz ZBLIVWSQQKTONZ-CYBMUJFWSA-N 1 1 329.809 0.557 20 30 ECEDMO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000367223875 438185841 /nfs/dbraw/zinc/18/58/41/438185841.db2.gz JMFYVXYGKDGFER-AWEZNQCLSA-N 1 1 349.460 0.357 20 30 ECEDMO N#C[C@H]1CN(C(=O)NCC(F)(F)C[NH3+])CCN1Cc1ccccc1 ZINC000418511508 438154657 /nfs/dbraw/zinc/15/46/57/438154657.db2.gz JQWLAJQZPDZKEC-AWEZNQCLSA-N 1 1 337.374 1.000 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)c1C#N ZINC000418520664 438154754 /nfs/dbraw/zinc/15/47/54/438154754.db2.gz DTFFRHZTOUDZEJ-UHFFFAOYSA-N 1 1 344.391 0.749 20 30 ECEDMO CC(C)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000373690831 438163891 /nfs/dbraw/zinc/16/38/91/438163891.db2.gz ZVNGPPRMWGHJOA-UHFFFAOYSA-N 1 1 346.435 0.926 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(=O)NCC#N ZINC000358310156 438197725 /nfs/dbraw/zinc/19/77/25/438197725.db2.gz JBJJBQSBXONWHO-LSDHHAIUSA-N 1 1 343.431 0.931 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNC(=O)CNc2ccc(C#N)cn2)CCCO1 ZINC000432578284 438203594 /nfs/dbraw/zinc/20/35/94/438203594.db2.gz YZBFGSXUPWEYAX-AWEZNQCLSA-N 1 1 331.420 0.982 20 30 ECEDMO C[C@@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)[N@@H+](C)C1CC1 ZINC000376091262 438270568 /nfs/dbraw/zinc/27/05/68/438270568.db2.gz BJKVDSDPEDOREB-LBPRGKRZSA-N 1 1 331.424 0.979 20 30 ECEDMO N#CCSCCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376178824 438272815 /nfs/dbraw/zinc/27/28/15/438272815.db2.gz VAIHMZPWIPRCTH-AWEZNQCLSA-N 1 1 347.506 0.760 20 30 ECEDMO CC(C)(O)C[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000376242886 438274302 /nfs/dbraw/zinc/27/43/02/438274302.db2.gz ZEXQQTLWFAHTRZ-UHFFFAOYSA-N 1 1 338.433 0.421 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000376248175 438277569 /nfs/dbraw/zinc/27/75/69/438277569.db2.gz QTELBZROSYALOM-INIZCTEOSA-N 1 1 327.494 0.832 20 30 ECEDMO C[N@H+]1CC[C@@H](NC(=O)NCC(=O)NCC#N)[C@@H]1c1ccc(F)cc1 ZINC000376248536 438277592 /nfs/dbraw/zinc/27/75/92/438277592.db2.gz DORDQSIYJDCZRE-HIFRSBDPSA-N 1 1 333.367 0.510 20 30 ECEDMO Cc1cc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nn1CCC#N ZINC000368462415 438334761 /nfs/dbraw/zinc/33/47/61/438334761.db2.gz QWWMYVNBQBYZFU-KBPBESRZSA-N 1 1 332.408 1.090 20 30 ECEDMO C[C@@H]1CCN(C(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000377014218 438298001 /nfs/dbraw/zinc/29/80/01/438298001.db2.gz LFDGNRRSBBTMTC-OAHLLOKOSA-N 1 1 343.431 0.932 20 30 ECEDMO C[N@H+](CCN1CCOC(C)(C)C1)CC(=O)N(CCC#N)CCC#N ZINC000434693241 438314624 /nfs/dbraw/zinc/31/46/24/438314624.db2.gz LILRHLKLHWBXME-UHFFFAOYSA-N 1 1 335.452 0.685 20 30 ECEDMO C[N@@H+](CCN1CCOC(C)(C)C1)CC(=O)N(CCC#N)CCC#N ZINC000434693241 438314630 /nfs/dbraw/zinc/31/46/30/438314630.db2.gz LILRHLKLHWBXME-UHFFFAOYSA-N 1 1 335.452 0.685 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000359213181 438379694 /nfs/dbraw/zinc/37/96/94/438379694.db2.gz IEPWLUXTJVQVBJ-AWEZNQCLSA-N 1 1 329.466 0.855 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](O)CC[C@H]3C)CC2)o1 ZINC000421023378 438463524 /nfs/dbraw/zinc/46/35/24/438463524.db2.gz PPGYJKANRLEERN-OCCSQVGLSA-N 1 1 347.419 0.349 20 30 ECEDMO CCCCOCCNC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369389168 438464852 /nfs/dbraw/zinc/46/48/52/438464852.db2.gz MCXXXWNYTVBPSQ-UHFFFAOYSA-N 1 1 334.424 0.720 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(CO)(Nc2ccccc2)CC1 ZINC000369511876 438483343 /nfs/dbraw/zinc/48/33/43/438483343.db2.gz PLPIBTNEKGZNCA-UHFFFAOYSA-N 1 1 346.431 0.937 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000369280133 438448418 /nfs/dbraw/zinc/44/84/18/438448418.db2.gz OOIATPIBAIFYKV-HNNXBMFYSA-N 1 1 329.408 0.789 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000369280133 438448420 /nfs/dbraw/zinc/44/84/20/438448420.db2.gz OOIATPIBAIFYKV-HNNXBMFYSA-N 1 1 329.408 0.789 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000439591481 438519271 /nfs/dbraw/zinc/51/92/71/438519271.db2.gz FIEXHBWVZOPIHU-CQSZACIVSA-N 1 1 344.419 0.969 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(C#N)ccn2)CC1 ZINC000408148727 438523466 /nfs/dbraw/zinc/52/34/66/438523466.db2.gz ICITZLPNSHUSSX-HNNXBMFYSA-N 1 1 327.388 0.332 20 30 ECEDMO Cc1onc(CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1C#N ZINC000353868881 438546099 /nfs/dbraw/zinc/54/60/99/438546099.db2.gz IJSYGQIVXYSBSB-OAHLLOKOSA-N 1 1 347.419 0.456 20 30 ECEDMO CN1C[C@@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CCN2C1=O ZINC000370079692 438549593 /nfs/dbraw/zinc/54/95/93/438549593.db2.gz AUWVTYZLSQXXEE-GFCCVEGCSA-N 1 1 333.417 1.000 20 30 ECEDMO CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCN2C1=O ZINC000370079692 438549595 /nfs/dbraw/zinc/54/95/95/438549595.db2.gz AUWVTYZLSQXXEE-GFCCVEGCSA-N 1 1 333.417 1.000 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC[N@@H+](CCO)CC2)CCCCC1 ZINC000408310807 438554635 /nfs/dbraw/zinc/55/46/35/438554635.db2.gz UOZWZBZIIPOEKM-UHFFFAOYSA-N 1 1 329.466 0.790 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC[N@H+](CCO)CC2)CCCCC1 ZINC000408310807 438554638 /nfs/dbraw/zinc/55/46/38/438554638.db2.gz UOZWZBZIIPOEKM-UHFFFAOYSA-N 1 1 329.466 0.790 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000410512134 438595073 /nfs/dbraw/zinc/59/50/73/438595073.db2.gz JCGOSIWVQJYWPV-INIZCTEOSA-N 1 1 336.480 0.649 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)n1 ZINC000442270339 438602443 /nfs/dbraw/zinc/60/24/43/438602443.db2.gz LEUZKXGPXTYVDJ-NWDGAFQWSA-N 1 1 332.408 0.825 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)n1 ZINC000442270339 438602446 /nfs/dbraw/zinc/60/24/46/438602446.db2.gz LEUZKXGPXTYVDJ-NWDGAFQWSA-N 1 1 332.408 0.825 20 30 ECEDMO CC#CCCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000440722831 438562282 /nfs/dbraw/zinc/56/22/82/438562282.db2.gz AOWNRNMCNAOEQJ-UHFFFAOYSA-N 1 1 330.388 0.655 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000447394301 438677060 /nfs/dbraw/zinc/67/70/60/438677060.db2.gz QDGCWEPEJOBJQU-INMHGKMJSA-N 1 1 341.452 0.387 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000447394301 438677063 /nfs/dbraw/zinc/67/70/63/438677063.db2.gz QDGCWEPEJOBJQU-INMHGKMJSA-N 1 1 341.452 0.387 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)[C@@H]2C)CC1 ZINC000412080315 438685247 /nfs/dbraw/zinc/68/52/47/438685247.db2.gz LLYLNLYRHDJFPY-ULQDDVLXSA-N 1 1 336.480 0.772 20 30 ECEDMO C=CCNC(=O)c1ccc(N2CC[NH+](C(COC)COC)CC2)nc1 ZINC000413468263 438694691 /nfs/dbraw/zinc/69/46/91/438694691.db2.gz BSIXJAUWFPIFKK-UHFFFAOYSA-N 1 1 348.447 0.781 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000453805887 438695735 /nfs/dbraw/zinc/69/57/35/438695735.db2.gz MKXZCADHZRSNIQ-INIZCTEOSA-N 1 1 344.415 0.768 20 30 ECEDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000453975679 438705068 /nfs/dbraw/zinc/70/50/68/438705068.db2.gz NODJDUFYMBAZKU-ZDUSSCGKSA-N 1 1 332.408 0.678 20 30 ECEDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000453975679 438705071 /nfs/dbraw/zinc/70/50/71/438705071.db2.gz NODJDUFYMBAZKU-ZDUSSCGKSA-N 1 1 332.408 0.678 20 30 ECEDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 ZINC000453990889 438705452 /nfs/dbraw/zinc/70/54/52/438705452.db2.gz DGNHNXAHMVBNJG-CYBMUJFWSA-N 1 1 346.435 1.217 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@]2(C#N)CCOC2)CC1=O ZINC000548468572 438729507 /nfs/dbraw/zinc/72/95/07/438729507.db2.gz AEEXRIVFPSEQBE-CKEIUWERSA-N 1 1 334.420 0.118 20 30 ECEDMO CC[NH+]1CCC(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000552232856 438741576 /nfs/dbraw/zinc/74/15/76/438741576.db2.gz ASDYQHMDHVBHFX-UHFFFAOYSA-N 1 1 347.467 0.328 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)nn1 ZINC001041729919 782072055 /nfs/dbraw/zinc/07/20/55/782072055.db2.gz XOFPCMSJGQMGCO-QGZVFWFLSA-N 1 1 346.435 0.090 20 30 ECEDMO C[N@@H+](CC(=O)NC1(C#N)CCC1)C1CCN(c2cnccn2)CC1 ZINC000558105326 438804575 /nfs/dbraw/zinc/80/45/75/438804575.db2.gz CVUKEJHWHFPKNR-UHFFFAOYSA-N 1 1 328.420 0.940 20 30 ECEDMO Cc1nc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1C#N ZINC000575877784 438757925 /nfs/dbraw/zinc/75/79/25/438757925.db2.gz YMCGAMBBWPJGOH-AWEZNQCLSA-N 1 1 327.388 0.298 20 30 ECEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@H](N4CCNC4=O)C3)cnc12 ZINC000576519223 438787298 /nfs/dbraw/zinc/78/72/98/438787298.db2.gz CDRBARVZXOGMFX-AWEZNQCLSA-N 1 1 325.376 0.591 20 30 ECEDMO N#Cc1cnn2cc(C[N@@H+]3CCC[C@H](N4CCNC4=O)C3)cnc12 ZINC000576519223 438787301 /nfs/dbraw/zinc/78/73/01/438787301.db2.gz CDRBARVZXOGMFX-AWEZNQCLSA-N 1 1 325.376 0.591 20 30 ECEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NC2CCN(CC#N)CC2)C1 ZINC000588124822 438819107 /nfs/dbraw/zinc/81/91/07/438819107.db2.gz LMKFUQRVDFTUAP-HOCLYGCPSA-N 1 1 347.463 0.033 20 30 ECEDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000595664251 438842805 /nfs/dbraw/zinc/84/28/05/438842805.db2.gz OIFSIGQIQIAGML-UONOGXRCSA-N 1 1 338.385 0.252 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000595759393 438856155 /nfs/dbraw/zinc/85/61/55/438856155.db2.gz PJJKLBUPEQEIOU-BQFCYCMXSA-N 1 1 334.464 0.647 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000595738466 438853560 /nfs/dbraw/zinc/85/35/60/438853560.db2.gz ISJVJXGDSAGYEJ-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000601440377 438896765 /nfs/dbraw/zinc/89/67/65/438896765.db2.gz QJIFQZYVUXHHDA-AWEZNQCLSA-N 1 1 344.481 0.652 20 30 ECEDMO C[N@@H+]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC12CCCCC2 ZINC000601460443 438903901 /nfs/dbraw/zinc/90/39/01/438903901.db2.gz UYJAKXZPGUSFSI-CQSZACIVSA-N 1 1 342.465 0.406 20 30 ECEDMO C[N@H+]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC12CCCCC2 ZINC000601460443 438903905 /nfs/dbraw/zinc/90/39/05/438903905.db2.gz UYJAKXZPGUSFSI-CQSZACIVSA-N 1 1 342.465 0.406 20 30 ECEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601466950 438905265 /nfs/dbraw/zinc/90/52/65/438905265.db2.gz NUNIKERGTSVQQK-INIZCTEOSA-N 1 1 349.479 0.377 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)n(CCC#N)n1 ZINC000590281510 438906971 /nfs/dbraw/zinc/90/69/71/438906971.db2.gz OBMVUKSVEDJLCG-CHWSQXEVSA-N 1 1 330.392 0.206 20 30 ECEDMO CN(C)CC[NH+]1CCC(Nc2nc3c(cc2C#N)COCC3)CC1 ZINC000563677492 438866892 /nfs/dbraw/zinc/86/68/92/438866892.db2.gz CYAPAAUBXOYKDO-UHFFFAOYSA-N 1 1 329.448 1.464 20 30 ECEDMO C[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000589329995 438870339 /nfs/dbraw/zinc/87/03/39/438870339.db2.gz HYMPSUVGUYVUQB-ZDUSSCGKSA-N 1 1 336.417 0.047 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000601425168 438889134 /nfs/dbraw/zinc/88/91/34/438889134.db2.gz LRTAXBXZFRLRQD-OAHLLOKOSA-N 1 1 337.445 0.878 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000601425168 438889138 /nfs/dbraw/zinc/88/91/38/438889138.db2.gz LRTAXBXZFRLRQD-OAHLLOKOSA-N 1 1 337.445 0.878 20 30 ECEDMO C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000595991884 438910026 /nfs/dbraw/zinc/91/00/26/438910026.db2.gz TXDSCUJXJINQLH-RHSMWYFYSA-N 1 1 327.388 0.317 20 30 ECEDMO C[C@H](CNC(=O)N1CCN(CCC#N)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000601618654 438943206 /nfs/dbraw/zinc/94/32/06/438943206.db2.gz AUNXNBJVJQMVMI-OAGGEKHMSA-N 1 1 337.468 0.725 20 30 ECEDMO C[C@H](CNC(=O)N1CCN(CCC#N)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000601618654 438943209 /nfs/dbraw/zinc/94/32/09/438943209.db2.gz AUNXNBJVJQMVMI-OAGGEKHMSA-N 1 1 337.468 0.725 20 30 ECEDMO N#CC1(CNC(=O)C(=O)NCC[NH+]2CCSCC2)CCCCC1 ZINC000597401616 439092522 /nfs/dbraw/zinc/09/25/22/439092522.db2.gz WQSWMQRXOCNYQT-UHFFFAOYSA-N 1 1 338.477 0.742 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@](O)(CC#N)C2)C[C@@H](C)O1 ZINC000591902363 439107986 /nfs/dbraw/zinc/10/79/86/439107986.db2.gz KPYHMPBEZDGHHL-CKEIUWERSA-N 1 1 338.452 0.934 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000597261291 439065976 /nfs/dbraw/zinc/06/59/76/439065976.db2.gz ITSHIUOCMKZNFH-UHFFFAOYSA-N 1 1 339.465 0.528 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000597360821 439085243 /nfs/dbraw/zinc/08/52/43/439085243.db2.gz MVNLERHEHSFNLG-UHFFFAOYSA-N 1 1 331.507 0.577 20 30 ECEDMO N#CC[C@]1(O)CC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000592155223 439169985 /nfs/dbraw/zinc/16/99/85/439169985.db2.gz YUIBFSLBRGMRRU-KSSFIOAISA-N 1 1 345.399 0.661 20 30 ECEDMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592145165 439164137 /nfs/dbraw/zinc/16/41/37/439164137.db2.gz MIQJWHYUENKAOV-YOEHRIQHSA-N 1 1 334.372 0.563 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592147653 439165302 /nfs/dbraw/zinc/16/53/02/439165302.db2.gz QZOZYCXDTHDVLC-SUMWQHHRSA-N 1 1 337.420 0.527 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592147653 439165310 /nfs/dbraw/zinc/16/53/10/439165310.db2.gz QZOZYCXDTHDVLC-SUMWQHHRSA-N 1 1 337.420 0.527 20 30 ECEDMO CCOC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146652 439165337 /nfs/dbraw/zinc/16/53/37/439165337.db2.gz DVKXLFCZWLTPBE-MAUKXSAKSA-N 1 1 348.399 0.953 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000592184274 439174363 /nfs/dbraw/zinc/17/43/63/439174363.db2.gz IDQUZZRKOPKCIQ-GXFFZTMASA-N 1 1 334.342 0.747 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000592184274 439174366 /nfs/dbraw/zinc/17/43/66/439174366.db2.gz IDQUZZRKOPKCIQ-GXFFZTMASA-N 1 1 334.342 0.747 20 30 ECEDMO COC(=O)[C@H](c1cccc(C#N)c1)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989234 439177466 /nfs/dbraw/zinc/17/74/66/439177466.db2.gz IMXYKAPROOARCI-KRWDZBQOSA-N 1 1 344.415 0.478 20 30 ECEDMO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1=O ZINC000568078555 439210804 /nfs/dbraw/zinc/21/08/04/439210804.db2.gz VYCKZFVQEJHPLX-XBFCOCLRSA-N 1 1 348.428 0.326 20 30 ECEDMO COCC(=O)NC1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000603681832 439277642 /nfs/dbraw/zinc/27/76/42/439277642.db2.gz LDPZDCRHCFSLLC-DYVFJYSZSA-N 1 1 338.452 0.656 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000527050785 439250077 /nfs/dbraw/zinc/25/00/77/439250077.db2.gz CRJGFIWDIWQDPU-CABCVRRESA-N 1 1 348.447 0.508 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000490674691 439284275 /nfs/dbraw/zinc/28/42/75/439284275.db2.gz CLQSVJHTCWCZSG-HIFRSBDPSA-N 1 1 349.456 0.811 20 30 ECEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CCC1 ZINC000527377800 439268716 /nfs/dbraw/zinc/26/87/16/439268716.db2.gz HPHLUHSEDLAAHQ-CQSZACIVSA-N 1 1 334.420 0.120 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)CC1 ZINC000490951025 439318078 /nfs/dbraw/zinc/31/80/78/439318078.db2.gz VQQNKKBJOYJECP-XDHUDOTRSA-N 1 1 347.484 0.473 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)CC1 ZINC000490972513 439319699 /nfs/dbraw/zinc/31/96/99/439319699.db2.gz GIZKQLSTDPVGGD-KRWDZBQOSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)CC1 ZINC000490972513 439319702 /nfs/dbraw/zinc/31/97/02/439319702.db2.gz GIZKQLSTDPVGGD-KRWDZBQOSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000491067492 439329132 /nfs/dbraw/zinc/32/91/32/439329132.db2.gz ILVZYVUKQKHXQM-OAHLLOKOSA-N 1 1 334.464 0.889 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000491123129 439336064 /nfs/dbraw/zinc/33/60/64/439336064.db2.gz ZQQQMBRUXBHWSQ-LSDHHAIUSA-N 1 1 337.420 0.496 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000491121352 439336165 /nfs/dbraw/zinc/33/61/65/439336165.db2.gz QGYJUUFNLVQCAS-HNNXBMFYSA-N 1 1 336.505 0.807 20 30 ECEDMO C#CCN(CC#CC)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000490688737 439287029 /nfs/dbraw/zinc/28/70/29/439287029.db2.gz KWBCSUAQIAZSKF-UHFFFAOYSA-N 1 1 334.464 0.045 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000490761026 439296460 /nfs/dbraw/zinc/29/64/60/439296460.db2.gz QUDZOWTXLPDZOM-SFHVURJKSA-N 1 1 332.492 0.428 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](CO)c2ccc(OC)cc2)CC1 ZINC000490759892 439296888 /nfs/dbraw/zinc/29/68/88/439296888.db2.gz HJVFDNCJHIPRKF-GOSISDBHSA-N 1 1 345.443 0.438 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)CC1 ZINC000490759892 439296894 /nfs/dbraw/zinc/29/68/94/439296894.db2.gz HJVFDNCJHIPRKF-GOSISDBHSA-N 1 1 345.443 0.438 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCc3ccc(OC)cc3CC2)CC1 ZINC000490892600 439307833 /nfs/dbraw/zinc/30/78/33/439307833.db2.gz MSFBIDAEFNXHSE-UHFFFAOYSA-N 1 1 341.455 0.873 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000490898642 439309378 /nfs/dbraw/zinc/30/93/78/439309378.db2.gz LJLBIFWNZZFJAK-IAGOWNOFSA-N 1 1 329.448 0.543 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccc(C(=O)NCC=C)c1 ZINC000491167307 439342685 /nfs/dbraw/zinc/34/26/85/439342685.db2.gz XGEIQVQCLDIZQY-UHFFFAOYSA-N 1 1 349.456 0.836 20 30 ECEDMO COCCOCC[NH+]1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000593116598 439345501 /nfs/dbraw/zinc/34/55/01/439345501.db2.gz MNUVQCBYJLSKPW-OAHLLOKOSA-N 1 1 326.441 0.028 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000528551762 439350132 /nfs/dbraw/zinc/35/01/32/439350132.db2.gz PCNIGCPNERKCMQ-UONOGXRCSA-N 1 1 328.438 0.062 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)CC1 ZINC000491241479 439355368 /nfs/dbraw/zinc/35/53/68/439355368.db2.gz JONDCRNQCVDFLD-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)CC1 ZINC000491241479 439355374 /nfs/dbraw/zinc/35/53/74/439355374.db2.gz JONDCRNQCVDFLD-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1 ZINC000491385843 439376231 /nfs/dbraw/zinc/37/62/31/439376231.db2.gz SLXCHNKRCJFXFQ-OAHLLOKOSA-N 1 1 349.456 0.764 20 30 ECEDMO COCCOCC[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000593517396 439390945 /nfs/dbraw/zinc/39/09/45/439390945.db2.gz KAFTUIOTMIECKZ-UHFFFAOYSA-N 1 1 329.404 0.991 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cc1ccc(C#N)nc1 ZINC000599265052 439406476 /nfs/dbraw/zinc/40/64/76/439406476.db2.gz QNCOWJBVGMQMQI-MRXNPFEDSA-N 1 1 343.431 0.555 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000491451753 439385174 /nfs/dbraw/zinc/38/51/74/439385174.db2.gz HVOZJWKDCHISJO-UHFFFAOYSA-N 1 1 325.409 0.040 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000491656440 439419965 /nfs/dbraw/zinc/41/99/65/439419965.db2.gz BIHZBJYWRWEYMS-QGZVFWFLSA-N 1 1 336.480 0.695 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000491656440 439419969 /nfs/dbraw/zinc/41/99/69/439419969.db2.gz BIHZBJYWRWEYMS-QGZVFWFLSA-N 1 1 336.480 0.695 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCCc1nnc2ccccn21 ZINC000491682826 439426964 /nfs/dbraw/zinc/42/69/64/439426964.db2.gz VDSHPEONHDVVQG-UHFFFAOYSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491714644 439433749 /nfs/dbraw/zinc/43/37/49/439433749.db2.gz GZLCFGBZOXOCSK-JSGCOSHPSA-N 1 1 333.354 0.009 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491714644 439433755 /nfs/dbraw/zinc/43/37/55/439433755.db2.gz GZLCFGBZOXOCSK-JSGCOSHPSA-N 1 1 333.354 0.009 20 30 ECEDMO C#CCNC(=O)CC[NH2+][C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000491719285 439435440 /nfs/dbraw/zinc/43/54/40/439435440.db2.gz YOCZPXHWZQJAJE-SFHVURJKSA-N 1 1 328.460 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cc1cccc(OCC(=O)NC)c1 ZINC000491754406 439442641 /nfs/dbraw/zinc/44/26/41/439442641.db2.gz SMXOAUUXTUDRGR-MRXNPFEDSA-N 1 1 344.411 0.995 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000491760471 439444616 /nfs/dbraw/zinc/44/46/16/439444616.db2.gz QKGOQUYYPXZMKC-CJNGLKHVSA-N 1 1 332.448 0.640 20 30 ECEDMO C#CCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](C(=O)N[C@@H](C)CCC)C2)C1=O ZINC000491773266 439446856 /nfs/dbraw/zinc/44/68/56/439446856.db2.gz VKJUPBHGSZNMCI-ZNMIVQPWSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CCN(C(=O)N[C@@H](C)C[N@H+](CC)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000491785720 439450809 /nfs/dbraw/zinc/45/08/09/439450809.db2.gz SSXITWHCYQQENP-LSDHHAIUSA-N 1 1 343.493 0.939 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2nccnn2)CC1 ZINC000599510311 439494962 /nfs/dbraw/zinc/49/49/62/439494962.db2.gz VZMXRFVZCJGBSG-UHFFFAOYSA-N 1 1 343.416 0.956 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599543128 439503039 /nfs/dbraw/zinc/50/30/39/439503039.db2.gz LOUOWOJQHYQKGY-CYBMUJFWSA-N 1 1 325.409 0.252 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n(CCC#N)n1 ZINC000532995780 439521842 /nfs/dbraw/zinc/52/18/42/439521842.db2.gz PPHKAZAZAKLJHI-KBPBESRZSA-N 1 1 344.419 0.787 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000571685907 439521942 /nfs/dbraw/zinc/52/19/42/439521942.db2.gz QSWMYIDYISERLL-UHFFFAOYSA-N 1 1 335.795 0.501 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000599692600 439537468 /nfs/dbraw/zinc/53/74/68/439537468.db2.gz KOOJSVAYHHZSBU-UONOGXRCSA-N 1 1 344.481 0.256 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000599692600 439537472 /nfs/dbraw/zinc/53/74/72/439537472.db2.gz KOOJSVAYHHZSBU-UONOGXRCSA-N 1 1 344.481 0.256 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393746 439554618 /nfs/dbraw/zinc/55/46/18/439554618.db2.gz OTYSEIIZUGGFGP-UONOGXRCSA-N 1 1 331.372 0.223 20 30 ECEDMO C=CCCCCCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000584361375 439583472 /nfs/dbraw/zinc/58/34/72/439583472.db2.gz NVUAWXILOARDNF-UHFFFAOYSA-N 1 1 338.452 0.176 20 30 ECEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000610662022 439635606 /nfs/dbraw/zinc/63/56/06/439635606.db2.gz URPKZIXSBVPXFC-CVEARBPZSA-N 1 1 342.509 0.824 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC[N@@H+]1CC(C)(C)O ZINC000595173566 439667684 /nfs/dbraw/zinc/66/76/84/439667684.db2.gz ZRBUQYWYLRRBFT-DYVFJYSZSA-N 1 1 336.436 0.052 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC[N@H+]1CC(C)(C)O ZINC000595173566 439667688 /nfs/dbraw/zinc/66/76/88/439667688.db2.gz ZRBUQYWYLRRBFT-DYVFJYSZSA-N 1 1 336.436 0.052 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)s1 ZINC000610521812 439623659 /nfs/dbraw/zinc/62/36/59/439623659.db2.gz BHNKPVUXJWFJNV-CYBMUJFWSA-N 1 1 334.445 0.756 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)s1 ZINC000610521812 439623661 /nfs/dbraw/zinc/62/36/61/439623661.db2.gz BHNKPVUXJWFJNV-CYBMUJFWSA-N 1 1 334.445 0.756 20 30 ECEDMO C[C@]1(C#N)CCCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000612121859 439677171 /nfs/dbraw/zinc/67/71/71/439677171.db2.gz QPLYCHBDEXUCGB-WMLDXEAASA-N 1 1 335.452 0.909 20 30 ECEDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600719077 439694785 /nfs/dbraw/zinc/69/47/85/439694785.db2.gz BOAFWTKFLJGJCQ-DOTOQJQBSA-N 1 1 332.448 0.523 20 30 ECEDMO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1C#N)CN1CCN(C)CC1 ZINC000600729094 439696081 /nfs/dbraw/zinc/69/60/81/439696081.db2.gz WSUOYXLVJJYGFQ-AEFFLSMTSA-N 1 1 346.475 0.771 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000613585830 439759280 /nfs/dbraw/zinc/75/92/80/439759280.db2.gz JLJUBTRYGUSWJO-AEFFLSMTSA-N 1 1 332.400 0.984 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000613585830 439759281 /nfs/dbraw/zinc/75/92/81/439759281.db2.gz JLJUBTRYGUSWJO-AEFFLSMTSA-N 1 1 332.400 0.984 20 30 ECEDMO Cc1nn(C)c(N2CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)c1C#N ZINC000595457990 439729848 /nfs/dbraw/zinc/72/98/48/439729848.db2.gz OOGYMDFUMWVTKM-HNNXBMFYSA-N 1 1 334.468 0.423 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000595490385 439734420 /nfs/dbraw/zinc/73/44/20/439734420.db2.gz ZHFBUDSIZGNFAY-ZBEGNZNMSA-N 1 1 333.440 1.009 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000636646047 439975020 /nfs/dbraw/zinc/97/50/20/439975020.db2.gz UTBUNEXAMQAFDO-AWEZNQCLSA-N 1 1 325.453 0.789 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)nn1 ZINC000644635802 440663987 /nfs/dbraw/zinc/66/39/87/440663987.db2.gz AUZAYYYYXRORDV-AWEZNQCLSA-N 1 1 332.452 0.753 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)nn1 ZINC000644635802 440663993 /nfs/dbraw/zinc/66/39/93/440663993.db2.gz AUZAYYYYXRORDV-AWEZNQCLSA-N 1 1 332.452 0.753 20 30 ECEDMO C=C[C@@](C)(O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000666441354 440642826 /nfs/dbraw/zinc/64/28/26/440642826.db2.gz QMPNDNCHQOWUBM-GOSISDBHSA-N 1 1 331.416 0.627 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656341140 440778625 /nfs/dbraw/zinc/77/86/25/440778625.db2.gz WUOBZSQSSMPMJR-VGWMRTNUSA-N 1 1 335.448 0.827 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000656899822 440869499 /nfs/dbraw/zinc/86/94/99/440869499.db2.gz PEBPRTQPIDIBDY-UKRRQHHQSA-N 1 1 332.466 0.608 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000662167207 440979480 /nfs/dbraw/zinc/97/94/80/440979480.db2.gz VKGGZANLHFJMNV-GFCCVEGCSA-N 1 1 341.433 0.320 20 30 ECEDMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000559259613 322216441 /nfs/dbraw/zinc/21/64/41/322216441.db2.gz PUSCTJWAVPIAOX-UHFFFAOYSA-N 1 1 337.449 0.357 20 30 ECEDMO COCCn1cc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000564651734 322385030 /nfs/dbraw/zinc/38/50/30/322385030.db2.gz UTZDEDGZZFGFBQ-UHFFFAOYSA-N 1 1 348.428 0.965 20 30 ECEDMO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1=O ZINC000568078553 322612932 /nfs/dbraw/zinc/61/29/32/322612932.db2.gz VYCKZFVQEJHPLX-KWCYVHTRSA-N 1 1 348.428 0.326 20 30 ECEDMO N#Cc1ccc(OCC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000573574532 322764143 /nfs/dbraw/zinc/76/41/43/322764143.db2.gz NQTNMUDBDNTTPW-OAHLLOKOSA-N 1 1 342.399 0.360 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC001041754542 782132350 /nfs/dbraw/zinc/13/23/50/782132350.db2.gz BDGHHAJPKSLAEZ-LJQANCHMSA-N 1 1 342.443 0.808 20 30 ECEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000328651274 546002593 /nfs/dbraw/zinc/00/25/93/546002593.db2.gz BLFQAMYQRSUGTJ-ZDUSSCGKSA-N 1 1 326.441 0.421 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000328843504 546007323 /nfs/dbraw/zinc/00/73/23/546007323.db2.gz UWZZHCZMVOBLQX-CHWSQXEVSA-N 1 1 332.470 0.384 20 30 ECEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000333113312 546057980 /nfs/dbraw/zinc/05/79/80/546057980.db2.gz SQBOEFFIHPMPPE-FSRUHOLFSA-N 1 1 346.431 0.510 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000337272708 546066127 /nfs/dbraw/zinc/06/61/27/546066127.db2.gz OQEOATARHOBKDB-QXSJWSMHSA-N 1 1 325.453 0.175 20 30 ECEDMO C=CCN1CC[C@H](N(C)C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000337272708 546066129 /nfs/dbraw/zinc/06/61/29/546066129.db2.gz OQEOATARHOBKDB-QXSJWSMHSA-N 1 1 325.453 0.175 20 30 ECEDMO C=CCN1CC[C@H](N(C)C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000337272708 546066130 /nfs/dbraw/zinc/06/61/30/546066130.db2.gz OQEOATARHOBKDB-QXSJWSMHSA-N 1 1 325.453 0.175 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000625331055 547071319 /nfs/dbraw/zinc/07/13/19/547071319.db2.gz CYDSEZZTQUBSTG-CQSZACIVSA-N 1 1 335.367 0.825 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000625331055 547071323 /nfs/dbraw/zinc/07/13/23/547071323.db2.gz CYDSEZZTQUBSTG-CQSZACIVSA-N 1 1 335.367 0.825 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)nc1 ZINC001078030439 782176160 /nfs/dbraw/zinc/17/61/60/782176160.db2.gz ZAJOHVAFCHXUJQ-DJIMGWMZSA-N 1 1 329.400 0.264 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC001041777132 782181212 /nfs/dbraw/zinc/18/12/12/782181212.db2.gz IFNUVHZGAFKIAN-YJBOKZPZSA-N 1 1 343.431 0.801 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 ZINC000750048258 579346650 /nfs/dbraw/zinc/34/66/50/579346650.db2.gz XVVNXDRZDAVCKX-QGZVFWFLSA-N 1 1 328.416 0.974 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 ZINC000750048258 579346651 /nfs/dbraw/zinc/34/66/51/579346651.db2.gz XVVNXDRZDAVCKX-QGZVFWFLSA-N 1 1 328.416 0.974 20 30 ECEDMO C#CCOCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000753382897 579399996 /nfs/dbraw/zinc/39/99/96/579399996.db2.gz PRPCEKNZAHNKKZ-QZTJIDSGSA-N 1 1 345.443 0.818 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C[N@H+]1C1CC1 ZINC000753705263 579404499 /nfs/dbraw/zinc/40/44/99/579404499.db2.gz JNIHKOPDCGMAFH-DSWFFVHISA-N 1 1 332.404 0.644 20 30 ECEDMO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cccc(S(N)(=O)=O)c1 ZINC000753936177 579409482 /nfs/dbraw/zinc/40/94/82/579409482.db2.gz RZUPNPPYFRTVLY-KBPBESRZSA-N 1 1 335.433 0.918 20 30 ECEDMO C[C@@H](NC(=S)NN=Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000755766855 579438838 /nfs/dbraw/zinc/43/88/38/579438838.db2.gz GRQDWQNETRZTHP-GFCCVEGCSA-N 1 1 347.492 0.825 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000757195723 579460143 /nfs/dbraw/zinc/46/01/43/579460143.db2.gz ODBUCVWNTVFCNY-IAFNSTAXSA-N 1 1 348.447 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000730275952 578304439 /nfs/dbraw/zinc/30/44/39/578304439.db2.gz BVQLBWFWBPAXBD-INIZCTEOSA-N 1 1 341.411 0.774 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000730275952 578304440 /nfs/dbraw/zinc/30/44/40/578304440.db2.gz BVQLBWFWBPAXBD-INIZCTEOSA-N 1 1 341.411 0.774 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000732070293 578318707 /nfs/dbraw/zinc/31/87/07/578318707.db2.gz MVRFQTPUQCEHHS-CJNGLKHVSA-N 1 1 349.456 0.870 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000732070293 578318709 /nfs/dbraw/zinc/31/87/09/578318709.db2.gz MVRFQTPUQCEHHS-CJNGLKHVSA-N 1 1 349.456 0.870 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)NCCNc2ncccc2C#N)C1 ZINC000736665466 578444733 /nfs/dbraw/zinc/44/47/33/578444733.db2.gz QHCULCPDEVWPGX-CQSZACIVSA-N 1 1 332.408 0.385 20 30 ECEDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C[C@@H]21 ZINC000794972305 578602303 /nfs/dbraw/zinc/60/23/03/578602303.db2.gz RNPLGAGCNGOTHY-QSJFSLAZSA-N 1 1 348.447 0.030 20 30 ECEDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C[C@@H]21 ZINC000794972305 578602305 /nfs/dbraw/zinc/60/23/05/578602305.db2.gz RNPLGAGCNGOTHY-QSJFSLAZSA-N 1 1 348.447 0.030 20 30 ECEDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000795704232 578619251 /nfs/dbraw/zinc/61/92/51/578619251.db2.gz XUAXSTXHEYUBIK-GDBMZVCRSA-N 1 1 342.443 0.961 20 30 ECEDMO CCOC(=O)C[NH+]1CCC(COC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 ZINC000798827221 578652702 /nfs/dbraw/zinc/65/27/02/578652702.db2.gz VUJNODDOHQGWEB-GFCCVEGCSA-N 1 1 349.391 0.529 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000780932669 578702869 /nfs/dbraw/zinc/70/28/69/578702869.db2.gz CGTVBCCVFGSURF-BBWFWOEESA-N 1 1 329.400 0.649 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780970445 578704005 /nfs/dbraw/zinc/70/40/05/578704005.db2.gz YAOMTUJMYOYANA-KRWDZBQOSA-N 1 1 344.415 0.214 20 30 ECEDMO O=C1N=C(N=NC2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)NC1=O ZINC000781127276 578705409 /nfs/dbraw/zinc/70/54/09/578705409.db2.gz HNJHIRUIGOUITP-UONOGXRCSA-N 1 1 339.399 0.877 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000784616755 578754912 /nfs/dbraw/zinc/75/49/12/578754912.db2.gz ZKSCLJQENUGHDX-CZUORRHYSA-N 1 1 345.399 0.687 20 30 ECEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000785028999 578762309 /nfs/dbraw/zinc/76/23/09/578762309.db2.gz TVCMPPUTARHCAS-OCCSQVGLSA-N 1 1 330.392 0.288 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000788262765 578831601 /nfs/dbraw/zinc/83/16/01/578831601.db2.gz PGPCUMNBNWYKSJ-INIZCTEOSA-N 1 1 340.431 0.346 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000788262765 578831602 /nfs/dbraw/zinc/83/16/02/578831602.db2.gz PGPCUMNBNWYKSJ-INIZCTEOSA-N 1 1 340.431 0.346 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788474089 578838182 /nfs/dbraw/zinc/83/81/82/578838182.db2.gz LJKDFBZIFQYQSU-MRXNPFEDSA-N 1 1 344.419 0.811 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788563443 578839922 /nfs/dbraw/zinc/83/99/22/578839922.db2.gz PSKSWPYWEBTBFL-QWRGUYRKSA-N 1 1 330.226 0.754 20 30 ECEDMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 ZINC000792291233 578904997 /nfs/dbraw/zinc/90/49/97/578904997.db2.gz RFUJZBDDUSFCCX-CQSZACIVSA-N 1 1 334.424 0.670 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC000765934058 579076238 /nfs/dbraw/zinc/07/62/38/579076238.db2.gz XOZWCVXIXSHENR-NOTNZGAASA-N 1 1 334.420 0.844 20 30 ECEDMO C#CCNC(=O)C1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000770457113 579167425 /nfs/dbraw/zinc/16/74/25/579167425.db2.gz GQTKBJFEIZGVQY-UHFFFAOYSA-N 1 1 329.404 0.279 20 30 ECEDMO Cc1cc(C=NN2C(=O)CNC2=O)c(C)n1CC[NH+]1CCOCC1 ZINC000770608343 579171722 /nfs/dbraw/zinc/17/17/22/579171722.db2.gz SZENBMRZQPSHLJ-UHFFFAOYSA-N 1 1 333.392 0.323 20 30 ECEDMO C#C[C@@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1CCCO1 ZINC000773308978 579224546 /nfs/dbraw/zinc/22/45/46/579224546.db2.gz FOKLTIKGVMSYDU-CABCVRRESA-N 1 1 336.436 0.019 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000773363627 579226006 /nfs/dbraw/zinc/22/60/06/579226006.db2.gz NAILBEOMLSRFKR-CYBMUJFWSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CCCCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000774844086 579257406 /nfs/dbraw/zinc/25/74/06/579257406.db2.gz ZSOIRNHSDZFYSN-UHFFFAOYSA-N 1 1 335.448 0.667 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@H]1CCCO1 ZINC000775793741 579271361 /nfs/dbraw/zinc/27/13/61/579271361.db2.gz NLFRSKIWUJBYGF-HUUCEWRRSA-N 1 1 345.399 0.334 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N[C@H](C(=O)NC)c1ccccc1)[C@@H]1CCCO1 ZINC000775792336 579271413 /nfs/dbraw/zinc/27/14/13/579271413.db2.gz QKYSAINBUCYCBG-ZOBUZTSGSA-N 1 1 329.400 0.360 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@@H]1CCCO1 ZINC000775800042 579271487 /nfs/dbraw/zinc/27/14/87/579271487.db2.gz QFGXXGCLIGUBEX-ZFWWWQNUSA-N 1 1 344.350 0.510 20 30 ECEDMO C#C[C@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000776225881 579278126 /nfs/dbraw/zinc/27/81/26/579278126.db2.gz CJQDXFAOVIKZOX-JKSUJKDBSA-N 1 1 336.480 0.883 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000776592853 579285446 /nfs/dbraw/zinc/28/54/46/579285446.db2.gz OREDJQFQDAVCSN-UHFFFAOYSA-N 1 1 327.388 0.848 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NC2(C(=O)OC)CCCCC2)CC1 ZINC000776593851 579285648 /nfs/dbraw/zinc/28/56/48/579285648.db2.gz NOKJAZXLQOBEFT-UHFFFAOYSA-N 1 1 335.448 0.619 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)CC1 ZINC000762297853 579540055 /nfs/dbraw/zinc/54/00/55/579540055.db2.gz GIVAZJDESCMWDG-HNNXBMFYSA-N 1 1 329.448 0.855 20 30 ECEDMO Cn1ccnc(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)c1=O ZINC000763242758 579557438 /nfs/dbraw/zinc/55/74/38/579557438.db2.gz WGIZVPDUCXUYLA-INIZCTEOSA-N 1 1 339.399 0.508 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000744371290 579808848 /nfs/dbraw/zinc/80/88/48/579808848.db2.gz RBSJCJWDZSEMLF-UHFFFAOYSA-N 1 1 340.383 0.671 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2C[C@H](C)C[C@@H]2CC)c1=O ZINC000744443509 579809673 /nfs/dbraw/zinc/80/96/73/579809673.db2.gz KRXZXLSRYGNUMX-KGLIPLIRSA-N 1 1 334.420 0.622 20 30 ECEDMO N#CCn1cc(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000746183576 579832387 /nfs/dbraw/zinc/83/23/87/579832387.db2.gz KHTAMGIHQRLIRO-KRWDZBQOSA-N 1 1 325.372 0.982 20 30 ECEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746274549 579834979 /nfs/dbraw/zinc/83/49/79/579834979.db2.gz YABCNOZIVGOONU-PHODEOQFSA-N 1 1 334.420 0.703 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000746353251 579836700 /nfs/dbraw/zinc/83/67/00/579836700.db2.gz AJCBLFQZRODSET-OLZOCXBDSA-N 1 1 332.408 0.582 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000747980168 579855923 /nfs/dbraw/zinc/85/59/23/579855923.db2.gz SHWJXPZVIRWKHG-HZPDHXFCSA-N 1 1 332.448 0.784 20 30 ECEDMO C#Cc1cccc(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000841913016 589005316 /nfs/dbraw/zinc/00/53/16/589005316.db2.gz FULLSFYGKPJVDZ-QGZVFWFLSA-N 1 1 340.427 0.774 20 30 ECEDMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC000891308983 586162131 /nfs/dbraw/zinc/16/21/31/586162131.db2.gz XDSWYFQATBESIL-NSHDSACASA-N 1 1 334.351 0.855 20 30 ECEDMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC000891308983 586162133 /nfs/dbraw/zinc/16/21/33/586162133.db2.gz XDSWYFQATBESIL-NSHDSACASA-N 1 1 334.351 0.855 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCc2cc(C)cc(C)c2)CC1 ZINC000895918669 586212653 /nfs/dbraw/zinc/21/26/53/586212653.db2.gz NYMUOWDTHPUPPH-UHFFFAOYSA-N 1 1 335.473 0.931 20 30 ECEDMO Cc1[nH]c(C#N)cc1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896228833 586229193 /nfs/dbraw/zinc/22/91/93/586229193.db2.gz AFATXPCPMNIITC-UHFFFAOYSA-N 1 1 344.419 0.320 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2nc(C(F)(F)F)no2)C1 ZINC000896382906 586238968 /nfs/dbraw/zinc/23/89/68/586238968.db2.gz ZWEDJKZMBNLZRL-VIFPVBQESA-N 1 1 331.298 0.985 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2nc(C(F)(F)F)no2)C1 ZINC000896382906 586238969 /nfs/dbraw/zinc/23/89/69/586238969.db2.gz ZWEDJKZMBNLZRL-VIFPVBQESA-N 1 1 331.298 0.985 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)OC)C[C@H]32)C1 ZINC000896489415 586243725 /nfs/dbraw/zinc/24/37/25/586243725.db2.gz OABXYRHECUWLQF-JKJDWNRSSA-N 1 1 333.432 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)OC)C[C@H]32)C1 ZINC000896489415 586243727 /nfs/dbraw/zinc/24/37/27/586243727.db2.gz OABXYRHECUWLQF-JKJDWNRSSA-N 1 1 333.432 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)C1 ZINC000896487747 586243771 /nfs/dbraw/zinc/24/37/71/586243771.db2.gz CBXXGVYOWKGBJG-SJLPKXTDSA-N 1 1 345.447 0.823 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)C1 ZINC000896487747 586243775 /nfs/dbraw/zinc/24/37/75/586243775.db2.gz CBXXGVYOWKGBJG-SJLPKXTDSA-N 1 1 345.447 0.823 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000897490738 586333349 /nfs/dbraw/zinc/33/33/49/586333349.db2.gz MEVYIVIQNHHXHP-KGLIPLIRSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000897490738 586333351 /nfs/dbraw/zinc/33/33/51/586333351.db2.gz MEVYIVIQNHHXHP-KGLIPLIRSA-N 1 1 327.450 0.303 20 30 ECEDMO CCC(C#N)(CC)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000900614792 586648338 /nfs/dbraw/zinc/64/83/38/586648338.db2.gz IFWGYMJBJHQOPG-UHFFFAOYSA-N 1 1 335.452 0.828 20 30 ECEDMO C#CCN1C(=O)C[C@H]([N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)C1=O ZINC000843270465 589059070 /nfs/dbraw/zinc/05/90/70/589059070.db2.gz VJCKTJOESTYIHH-HOTGVXAUSA-N 1 1 339.395 0.385 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CCO[C@]12CCOC2 ZINC000901137878 586697415 /nfs/dbraw/zinc/69/74/15/586697415.db2.gz DJLYAJVGZBZEMZ-HNNXBMFYSA-N 1 1 342.465 0.108 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)CC)CC1 ZINC000903005486 586765364 /nfs/dbraw/zinc/76/53/64/586765364.db2.gz XHBMFUFJSRBYHF-CQSZACIVSA-N 1 1 343.493 0.979 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000838623237 586819373 /nfs/dbraw/zinc/81/93/73/586819373.db2.gz XAZXJCLHPPKINA-GFCCVEGCSA-N 1 1 348.369 0.746 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O ZINC000904186238 586832098 /nfs/dbraw/zinc/83/20/98/586832098.db2.gz RWPFIQYTMWZPND-AWEZNQCLSA-N 1 1 331.372 0.985 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1C ZINC000839170593 586840027 /nfs/dbraw/zinc/84/00/27/586840027.db2.gz OQFHYMZUXJLYTP-NVXWUHKLSA-N 1 1 331.416 0.835 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1C ZINC000839170593 586840029 /nfs/dbraw/zinc/84/00/29/586840029.db2.gz OQFHYMZUXJLYTP-NVXWUHKLSA-N 1 1 331.416 0.835 20 30 ECEDMO C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000784924393 586938235 /nfs/dbraw/zinc/93/82/35/586938235.db2.gz BBXWPQLFDHVQCW-UHFFFAOYSA-N 1 1 335.367 0.999 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)c1ccncc1 ZINC000805814576 586940760 /nfs/dbraw/zinc/94/07/60/586940760.db2.gz UPJGICNHJVNDRS-HNNXBMFYSA-N 1 1 348.472 0.980 20 30 ECEDMO C[C@@H](C#N)OCC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000801932009 587006307 /nfs/dbraw/zinc/00/63/07/587006307.db2.gz FRIBGKLUYCOBQZ-HNNXBMFYSA-N 1 1 341.419 0.709 20 30 ECEDMO C=CCN(C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C(C)C ZINC000804066712 587078075 /nfs/dbraw/zinc/07/80/75/587078075.db2.gz CJMHAOKBDRDTDA-CQSZACIVSA-N 1 1 338.452 0.113 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000804187517 587080950 /nfs/dbraw/zinc/08/09/50/587080950.db2.gz ZZFYLZYYKHNTME-CABCVRRESA-N 1 1 341.477 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000804187517 587080951 /nfs/dbraw/zinc/08/09/51/587080951.db2.gz ZZFYLZYYKHNTME-CABCVRRESA-N 1 1 341.477 0.214 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000804499570 587086357 /nfs/dbraw/zinc/08/63/57/587086357.db2.gz KMHHEBKRKBPMRQ-KFWWJZLASA-N 1 1 341.477 0.308 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000804499570 587086359 /nfs/dbraw/zinc/08/63/59/587086359.db2.gz KMHHEBKRKBPMRQ-KFWWJZLASA-N 1 1 341.477 0.308 20 30 ECEDMO N#CCOc1ccc(CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cc1 ZINC000808160878 587146830 /nfs/dbraw/zinc/14/68/30/587146830.db2.gz YQGMCDJGOYCTEV-HOTGVXAUSA-N 1 1 329.400 0.799 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1cccc(F)c1C#N ZINC000808334775 587153142 /nfs/dbraw/zinc/15/31/42/587153142.db2.gz VGKUCEQTBSLGMX-UHFFFAOYSA-N 1 1 342.440 0.859 20 30 ECEDMO CN(CCCNS(=O)(=O)c1cccc(F)c1C#N)CC[NH+](C)C ZINC000808334775 587153143 /nfs/dbraw/zinc/15/31/43/587153143.db2.gz VGKUCEQTBSLGMX-UHFFFAOYSA-N 1 1 342.440 0.859 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)[C@H]1CCCO1 ZINC000809313135 587175094 /nfs/dbraw/zinc/17/50/94/587175094.db2.gz QXAZIOKMQLILTD-XUWVNRHRSA-N 1 1 335.448 0.615 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000811641917 587222782 /nfs/dbraw/zinc/22/27/82/587222782.db2.gz BFMILXSBTJLKNZ-LBPRGKRZSA-N 1 1 333.461 0.847 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000811641917 587222784 /nfs/dbraw/zinc/22/27/84/587222784.db2.gz BFMILXSBTJLKNZ-LBPRGKRZSA-N 1 1 333.461 0.847 20 30 ECEDMO COCCC(COC)=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000812223645 587232855 /nfs/dbraw/zinc/23/28/55/587232855.db2.gz GOFBWBAVMBYDQX-UHFFFAOYSA-N 1 1 332.470 0.212 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000812872759 587244505 /nfs/dbraw/zinc/24/45/05/587244505.db2.gz XQTUUDWYZCTUJC-NSHDSACASA-N 1 1 326.397 0.119 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000815063814 587282011 /nfs/dbraw/zinc/28/20/11/587282011.db2.gz HGALTGWEHAATKR-UHFFFAOYSA-N 1 1 327.388 0.685 20 30 ECEDMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(O)C2=O)[C@@H](c2cnn(C)c2)C1 ZINC000820133688 587512317 /nfs/dbraw/zinc/51/23/17/587512317.db2.gz YZUNZOJWQGUTJF-ZNMIVQPWSA-N 1 1 349.435 0.340 20 30 ECEDMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CCCN(O)C1=O ZINC000820476858 587536132 /nfs/dbraw/zinc/53/61/32/587536132.db2.gz QLCFKXWRGZMGCR-JKSUJKDBSA-N 1 1 347.415 0.774 20 30 ECEDMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CCCN(O)C1=O ZINC000820476858 587536133 /nfs/dbraw/zinc/53/61/33/587536133.db2.gz QLCFKXWRGZMGCR-JKSUJKDBSA-N 1 1 347.415 0.774 20 30 ECEDMO CON=C(C(=O)NCCC[N@@H+](C)CCN(C)C)c1csc(N)n1 ZINC000822978013 587693829 /nfs/dbraw/zinc/69/38/29/587693829.db2.gz CLAAYHRTFDPOKN-UHFFFAOYSA-N 1 1 342.469 0.076 20 30 ECEDMO CON=C(C(=O)NCCCN(C)CC[NH+](C)C)c1csc(N)n1 ZINC000822978013 587693830 /nfs/dbraw/zinc/69/38/30/587693830.db2.gz CLAAYHRTFDPOKN-UHFFFAOYSA-N 1 1 342.469 0.076 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000823187485 587708460 /nfs/dbraw/zinc/70/84/60/587708460.db2.gz HAQRBZKBZNFIRV-GHMZBOCLSA-N 1 1 340.367 0.281 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000823187485 587708462 /nfs/dbraw/zinc/70/84/62/587708462.db2.gz HAQRBZKBZNFIRV-GHMZBOCLSA-N 1 1 340.367 0.281 20 30 ECEDMO C#C[C@H](CO)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000823316006 587715428 /nfs/dbraw/zinc/71/54/28/587715428.db2.gz SZDOGTQYBDUKBO-ZHALLVOQSA-N 1 1 328.412 0.635 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](C)n2cnc3c2ncnc3N)CC1 ZINC000825077628 587915483 /nfs/dbraw/zinc/91/54/83/587915483.db2.gz CQCCLNWLVODPKC-GFCCVEGCSA-N 1 1 327.392 0.137 20 30 ECEDMO N#Cc1c(NC[C@H]2CCC[N@H+]2CCCO)cccc1S(N)(=O)=O ZINC000828423762 588177847 /nfs/dbraw/zinc/17/78/47/588177847.db2.gz YTNANEMOPJCEOH-GFCCVEGCSA-N 1 1 338.433 0.464 20 30 ECEDMO C#CCN(CC#C)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1CCOC ZINC000829000842 588214338 /nfs/dbraw/zinc/21/43/38/588214338.db2.gz YJDBAHBGXNITIC-CVEARBPZSA-N 1 1 343.431 0.533 20 30 ECEDMO N#Cc1cc(S(N)(=O)=O)ccc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000829010324 588214640 /nfs/dbraw/zinc/21/46/40/588214640.db2.gz SBQITISVVAWLQZ-BETUJISGSA-N 1 1 336.417 0.481 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)C1 ZINC000829581572 588330799 /nfs/dbraw/zinc/33/07/99/588330799.db2.gz AJNDXYBYQHMSFY-CJNGLKHVSA-N 1 1 329.404 0.435 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)C1 ZINC000829581572 588330801 /nfs/dbraw/zinc/33/08/01/588330801.db2.gz AJNDXYBYQHMSFY-CJNGLKHVSA-N 1 1 329.404 0.435 20 30 ECEDMO C#CC[C@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000829794275 588342301 /nfs/dbraw/zinc/34/23/01/588342301.db2.gz UIUHKBRDHKFUOP-ZDUSSCGKSA-N 1 1 329.404 0.169 20 30 ECEDMO CN(C)S(=O)(=O)CCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370759 589109221 /nfs/dbraw/zinc/10/92/21/589109221.db2.gz TYMKYQGOLMZIIZ-OAHLLOKOSA-N 1 1 325.434 0.805 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 ZINC000845362254 589144333 /nfs/dbraw/zinc/14/43/33/589144333.db2.gz RDUZUKFVXNGNIO-INIZCTEOSA-N 1 1 347.390 0.084 20 30 ECEDMO C[C@@H]1CCCN(C(=O)CCNC(O)=C2N=CC=CC2=O)[C@H]1CC[NH3+] ZINC000846696137 589219355 /nfs/dbraw/zinc/21/93/55/589219355.db2.gz XFEJNWAANNDNFU-FGQLKYCASA-N 1 1 334.420 0.879 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2ccc(C#N)nc2)CC1 ZINC000846886465 589228287 /nfs/dbraw/zinc/22/82/87/589228287.db2.gz ZWVBZSATANZPJV-KRWDZBQOSA-N 1 1 333.436 0.014 20 30 ECEDMO C#C[C@@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000847030997 589233401 /nfs/dbraw/zinc/23/34/01/589233401.db2.gz PKIICJUMNUGCOB-CYBMUJFWSA-N 1 1 329.404 0.169 20 30 ECEDMO C#C[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000848283887 589286643 /nfs/dbraw/zinc/28/66/43/589286643.db2.gz FOXGPOLBTXLFGC-DLBZAZTESA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCOCC[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000851733823 589418640 /nfs/dbraw/zinc/41/86/40/589418640.db2.gz HRZJQWDDKQWGNG-UHFFFAOYSA-N 1 1 327.428 0.843 20 30 ECEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851871902 589429978 /nfs/dbraw/zinc/42/99/78/589429978.db2.gz VUESRHYQNHASTK-FUHWJXTLSA-N 1 1 330.432 0.525 20 30 ECEDMO C#C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000852128671 589445193 /nfs/dbraw/zinc/44/51/93/589445193.db2.gz WBDKKIKUWYTAGQ-FUHWJXTLSA-N 1 1 348.491 0.883 20 30 ECEDMO C#C[C@@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000852128671 589445194 /nfs/dbraw/zinc/44/51/94/589445194.db2.gz WBDKKIKUWYTAGQ-FUHWJXTLSA-N 1 1 348.491 0.883 20 30 ECEDMO COC(=O)CCN1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(C#N)c2)C1=O ZINC000852211099 589450769 /nfs/dbraw/zinc/45/07/69/589450769.db2.gz OVDCIQUIENVNJI-HOTGVXAUSA-N 1 1 345.399 0.687 20 30 ECEDMO COC(=O)CCN1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(C#N)c2)C1=O ZINC000852211099 589450771 /nfs/dbraw/zinc/45/07/71/589450771.db2.gz OVDCIQUIENVNJI-HOTGVXAUSA-N 1 1 345.399 0.687 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000852429601 589495499 /nfs/dbraw/zinc/49/54/99/589495499.db2.gz RJIWPNXXVQYSAI-HNNXBMFYSA-N 1 1 337.464 0.816 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000852434209 589496074 /nfs/dbraw/zinc/49/60/74/589496074.db2.gz LLISXADBLKEYGG-HUUCEWRRSA-N 1 1 331.372 0.824 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000852751716 589510456 /nfs/dbraw/zinc/51/04/56/589510456.db2.gz KHXDVWQXQNGPFA-UHFFFAOYSA-N 1 1 349.475 0.819 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000852751716 589510458 /nfs/dbraw/zinc/51/04/58/589510458.db2.gz KHXDVWQXQNGPFA-UHFFFAOYSA-N 1 1 349.475 0.819 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000854094052 589570987 /nfs/dbraw/zinc/57/09/87/589570987.db2.gz CEDSVECHVVJGNQ-HOTGVXAUSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000854094035 589571199 /nfs/dbraw/zinc/57/11/99/589571199.db2.gz BRNQSINNZMKQRA-KRWDZBQOSA-N 1 1 336.480 0.838 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000854094035 589571200 /nfs/dbraw/zinc/57/12/00/589571200.db2.gz BRNQSINNZMKQRA-KRWDZBQOSA-N 1 1 336.480 0.838 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@](O)(Cc3nc(CC)no3)C2)C1=O ZINC000856676973 589669839 /nfs/dbraw/zinc/66/98/39/589669839.db2.gz LCYYMJHKURJMJZ-SUMWQHHRSA-N 1 1 334.420 0.788 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@](O)(Cc3nc(CC)no3)C2)C1=O ZINC000856676973 589669840 /nfs/dbraw/zinc/66/98/40/589669840.db2.gz LCYYMJHKURJMJZ-SUMWQHHRSA-N 1 1 334.420 0.788 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@](O)(Cc3nc(CC)no3)C2)C1=O ZINC000856676797 589670027 /nfs/dbraw/zinc/67/00/27/589670027.db2.gz LCYYMJHKURJMJZ-CXAGYDPISA-N 1 1 334.420 0.788 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@](O)(Cc3nc(CC)no3)C2)C1=O ZINC000856676797 589670028 /nfs/dbraw/zinc/67/00/28/589670028.db2.gz LCYYMJHKURJMJZ-CXAGYDPISA-N 1 1 334.420 0.788 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(C#N)c(OC)c2)CC1 ZINC000857268384 589691466 /nfs/dbraw/zinc/69/14/66/589691466.db2.gz IHTSRTUXZWEXEI-UHFFFAOYSA-N 1 1 330.388 0.461 20 30 ECEDMO C#CCCOc1ccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1 ZINC000858311514 589740868 /nfs/dbraw/zinc/74/08/68/589740868.db2.gz HSTSIOVVMYLZJY-UHFFFAOYSA-N 1 1 337.445 0.669 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860529107 589779656 /nfs/dbraw/zinc/77/96/56/589779656.db2.gz ABWYBMZXWUANGQ-ZIAGYGMSSA-N 1 1 330.388 0.414 20 30 ECEDMO COCCN1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1=O ZINC000867978014 589866048 /nfs/dbraw/zinc/86/60/48/589866048.db2.gz SQPKCOXQPJGUOZ-KRWDZBQOSA-N 1 1 342.399 0.062 20 30 ECEDMO N#CCn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cn1 ZINC000861994590 589911973 /nfs/dbraw/zinc/91/19/73/589911973.db2.gz AAOLEJVSSAZLOT-HNNXBMFYSA-N 1 1 344.419 0.868 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000873024686 590179718 /nfs/dbraw/zinc/17/97/18/590179718.db2.gz YVZRXRFEXWPBHX-ZIAGYGMSSA-N 1 1 327.450 0.018 20 30 ECEDMO N#Cc1cc(F)cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000873718176 590197873 /nfs/dbraw/zinc/19/78/73/590197873.db2.gz LMZQYSJPNDRZBQ-HUUCEWRRSA-N 1 1 346.362 0.615 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3cccc(C#N)c3)CC[C@@H]21 ZINC000875051318 590265436 /nfs/dbraw/zinc/26/54/36/590265436.db2.gz BLOWKYPFNIZKLP-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000875599432 590312779 /nfs/dbraw/zinc/31/27/79/590312779.db2.gz QLILGYSQYGDCRV-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C[C@H]2C1=O ZINC000879531871 590319648 /nfs/dbraw/zinc/31/96/48/590319648.db2.gz MQEOJVBXJAVGMX-CWRNSKLLSA-N 1 1 343.383 0.039 20 30 ECEDMO CN1C(=O)[C@H]2C[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@H]2C1=O ZINC000879533612 590320342 /nfs/dbraw/zinc/32/03/42/590320342.db2.gz PUEUWJBGMIGVJS-ZNMIVQPWSA-N 1 1 338.367 0.210 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879764148 590342029 /nfs/dbraw/zinc/34/20/29/590342029.db2.gz RNECLMQBGQUBJX-ZDUSSCGKSA-N 1 1 334.342 0.891 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879764148 590342032 /nfs/dbraw/zinc/34/20/32/590342032.db2.gz RNECLMQBGQUBJX-ZDUSSCGKSA-N 1 1 334.342 0.891 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2nnnn2C)CC1 ZINC000879915754 590350149 /nfs/dbraw/zinc/35/01/49/590350149.db2.gz QEFBSZLCAMPHHZ-BLLLJJGKSA-N 1 1 333.440 0.832 20 30 ECEDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000876281774 590371212 /nfs/dbraw/zinc/37/12/12/590371212.db2.gz LYHPSPZHCOZUPA-GUYCJALGSA-N 1 1 328.416 0.733 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000876281774 590371214 /nfs/dbraw/zinc/37/12/14/590371214.db2.gz LYHPSPZHCOZUPA-GUYCJALGSA-N 1 1 328.416 0.733 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000880477820 590395072 /nfs/dbraw/zinc/39/50/72/590395072.db2.gz VOLHIOJVYLFCBC-UHFFFAOYSA-N 1 1 337.464 0.064 20 30 ECEDMO COCCC[N@H+](C)CCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876770908 590412391 /nfs/dbraw/zinc/41/23/91/590412391.db2.gz KMFSFGOXWIKWFB-KRWDZBQOSA-N 1 1 330.432 0.830 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876770908 590412392 /nfs/dbraw/zinc/41/23/92/590412392.db2.gz KMFSFGOXWIKWFB-KRWDZBQOSA-N 1 1 330.432 0.830 20 30 ECEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000877487671 590467709 /nfs/dbraw/zinc/46/77/09/590467709.db2.gz CKFOPJQCXRDFHN-KRWDZBQOSA-N 1 1 327.388 0.798 20 30 ECEDMO C=CC[C@H](C(=O)OC)[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000878726601 590538677 /nfs/dbraw/zinc/53/86/77/590538677.db2.gz RACQOSZJBPISQS-CQSZACIVSA-N 1 1 325.409 0.610 20 30 ECEDMO C#CC[C@H]1CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000878761255 590540628 /nfs/dbraw/zinc/54/06/28/590540628.db2.gz OPIOHPARIADTJS-AWEZNQCLSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785572 590541816 /nfs/dbraw/zinc/54/18/16/590541816.db2.gz STKCRJRWZIKQOZ-AWEZNQCLSA-N 1 1 330.388 0.034 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785572 590541817 /nfs/dbraw/zinc/54/18/17/590541817.db2.gz STKCRJRWZIKQOZ-AWEZNQCLSA-N 1 1 330.388 0.034 20 30 ECEDMO Cn1cc(C#N)c(NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)n1 ZINC000878876344 590549567 /nfs/dbraw/zinc/54/95/67/590549567.db2.gz XBICTMWFPJYSCK-UHFFFAOYSA-N 1 1 331.424 0.535 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](n3ccnn3)CC2)CC1 ZINC000878939822 590552518 /nfs/dbraw/zinc/55/25/18/590552518.db2.gz BHSKXQJTWGAVHF-INIZCTEOSA-N 1 1 330.436 0.083 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)cc1 ZINC000882481280 590553085 /nfs/dbraw/zinc/55/30/85/590553085.db2.gz GQCCJSDIJJZTJO-AWEZNQCLSA-N 1 1 335.429 0.422 20 30 ECEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000879156397 590567167 /nfs/dbraw/zinc/56/71/67/590567167.db2.gz RWPNTIIPWCNKDH-MORSLUCNSA-N 1 1 341.367 0.757 20 30 ECEDMO C=C(C)C[C@@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000883283207 590610972 /nfs/dbraw/zinc/61/09/72/590610972.db2.gz VCVZXTZFULUOKW-GJZGRUSLSA-N 1 1 340.468 0.555 20 30 ECEDMO C=C[C@H](C)ONC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883764127 590663253 /nfs/dbraw/zinc/66/32/53/590663253.db2.gz QNCBMFNPWRREJW-GJZGRUSLSA-N 1 1 326.441 0.588 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@H](O)CC3(C#N)CCC3)C[C@H]21 ZINC000886281298 590823767 /nfs/dbraw/zinc/82/37/67/590823767.db2.gz WATQKLSOZARMOV-RQJABVFESA-N 1 1 328.434 0.175 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCC3)C[C@H]21 ZINC000886281298 590823772 /nfs/dbraw/zinc/82/37/72/590823772.db2.gz WATQKLSOZARMOV-RQJABVFESA-N 1 1 328.434 0.175 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450202 590831714 /nfs/dbraw/zinc/83/17/14/590831714.db2.gz AQVMPKAIJSCYMA-NXOAAHMSSA-N 1 1 336.480 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450202 590831718 /nfs/dbraw/zinc/83/17/18/590831718.db2.gz AQVMPKAIJSCYMA-NXOAAHMSSA-N 1 1 336.480 0.881 20 30 ECEDMO C#CC[N@@H+](CCS(N)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427527 590842814 /nfs/dbraw/zinc/84/28/14/590842814.db2.gz NKSATROOYHUMSZ-UHFFFAOYSA-N 1 1 345.465 0.610 20 30 ECEDMO C#CC[N@H+](CCS(N)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427527 590842816 /nfs/dbraw/zinc/84/28/16/590842816.db2.gz NKSATROOYHUMSZ-UHFFFAOYSA-N 1 1 345.465 0.610 20 30 ECEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCO[C@](C)(C#N)C1 ZINC000887684489 590991737 /nfs/dbraw/zinc/99/17/37/590991737.db2.gz JRHYXBOCMNUAEJ-MRXNPFEDSA-N 1 1 328.376 0.977 20 30 ECEDMO N#Cc1ccc([C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CCO2)cc1 ZINC000887731187 590994716 /nfs/dbraw/zinc/99/47/16/590994716.db2.gz KXINBQBJVIDFEV-MSOLQXFVSA-N 1 1 340.427 0.848 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn(CCC#N)c2C)[C@H](C)C1 ZINC000889859421 591107217 /nfs/dbraw/zinc/10/72/17/591107217.db2.gz XUEIVWKKVBSIIL-CYBMUJFWSA-N 1 1 347.419 0.815 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cnn(CCC#N)c2C)[C@H](C)C1 ZINC000889859421 591107218 /nfs/dbraw/zinc/10/72/18/591107218.db2.gz XUEIVWKKVBSIIL-CYBMUJFWSA-N 1 1 347.419 0.815 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000890370991 591155228 /nfs/dbraw/zinc/15/52/28/591155228.db2.gz KAEQUJVNSRAWFW-ROUUACIJSA-N 1 1 348.491 0.980 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000890370991 591155232 /nfs/dbraw/zinc/15/52/32/591155232.db2.gz KAEQUJVNSRAWFW-ROUUACIJSA-N 1 1 348.491 0.980 20 30 ECEDMO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000922492907 611352825 /nfs/dbraw/zinc/35/28/25/611352825.db2.gz HSFYTHCTHQAUHP-UHFFFAOYSA-N 1 1 333.410 0.844 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)CC[C@@H]2C1 ZINC000946597954 611359616 /nfs/dbraw/zinc/35/96/16/611359616.db2.gz RZBUURDBUGLKDK-OKILXGFUSA-N 1 1 346.435 0.124 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C ZINC000947983990 611369100 /nfs/dbraw/zinc/36/91/00/611369100.db2.gz FXRWNTNYIAHLMM-ZFWWWQNUSA-N 1 1 335.452 0.826 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)CC[C@@H]2C1 ZINC000946626201 611371600 /nfs/dbraw/zinc/37/16/00/611371600.db2.gz URQIINMIXBQFAO-IYBDPMFKSA-N 1 1 335.448 0.592 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC[C@@H]2C1 ZINC000946639944 611381496 /nfs/dbraw/zinc/38/14/96/611381496.db2.gz LKAMPEDXQAUVEW-KFWWJZLASA-N 1 1 326.462 0.613 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C ZINC000948010810 611383349 /nfs/dbraw/zinc/38/33/49/611383349.db2.gz DGBHBPYNFBMVPN-ZIAGYGMSSA-N 1 1 336.436 0.816 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930296292 611409315 /nfs/dbraw/zinc/40/93/15/611409315.db2.gz OTMIYFGDNLNEFP-KBPBESRZSA-N 1 1 341.477 0.391 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930296292 611409317 /nfs/dbraw/zinc/40/93/17/611409317.db2.gz OTMIYFGDNLNEFP-KBPBESRZSA-N 1 1 341.477 0.391 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930296295 611410178 /nfs/dbraw/zinc/41/01/78/611410178.db2.gz OTMIYFGDNLNEFP-ZIAGYGMSSA-N 1 1 341.477 0.391 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000930296295 611410180 /nfs/dbraw/zinc/41/01/80/611410180.db2.gz OTMIYFGDNLNEFP-ZIAGYGMSSA-N 1 1 341.477 0.391 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000930768551 611462668 /nfs/dbraw/zinc/46/26/68/611462668.db2.gz IHUFZVKVMUHKST-ADAWSYLGSA-N 1 1 335.448 0.494 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930991688 611494191 /nfs/dbraw/zinc/49/41/91/611494191.db2.gz GNGMSFLXZPSEGG-ZIAGYGMSSA-N 1 1 341.477 0.391 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000930991688 611494196 /nfs/dbraw/zinc/49/41/96/611494196.db2.gz GNGMSFLXZPSEGG-ZIAGYGMSSA-N 1 1 341.477 0.391 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947368959 611501619 /nfs/dbraw/zinc/50/16/19/611501619.db2.gz DOGCGRZBEJEONV-CHWSQXEVSA-N 1 1 349.884 0.744 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947368959 611501621 /nfs/dbraw/zinc/50/16/21/611501621.db2.gz DOGCGRZBEJEONV-CHWSQXEVSA-N 1 1 349.884 0.744 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000947454560 611544263 /nfs/dbraw/zinc/54/42/63/611544263.db2.gz LYJDMIFGTHYNQH-JQWIXIFHSA-N 1 1 327.406 0.696 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1C ZINC000947497548 611566892 /nfs/dbraw/zinc/56/68/92/611566892.db2.gz JIWXAVDZNQDBPZ-NWDGAFQWSA-N 1 1 339.417 0.533 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000949291493 608613322 /nfs/dbraw/zinc/61/33/22/608613322.db2.gz GVVZLHGJHBICNS-UHFFFAOYSA-N 1 1 334.424 0.333 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H]1C ZINC000947442857 608720669 /nfs/dbraw/zinc/72/06/69/608720669.db2.gz ZXCZDSNQDRGDEM-DZGCQCFKSA-N 1 1 338.473 0.804 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949520561 608735131 /nfs/dbraw/zinc/73/51/31/608735131.db2.gz ZCKGXKLISCKAIF-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949520561 608735134 /nfs/dbraw/zinc/73/51/34/608735134.db2.gz ZCKGXKLISCKAIF-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO N#Cc1ccc(C2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)cc1 ZINC000933614524 608764858 /nfs/dbraw/zinc/76/48/58/608764858.db2.gz POEKOXTZARASOD-UHFFFAOYSA-N 1 1 326.400 0.696 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2-n2cnnn2)C[C@@H]1C ZINC000947479977 608785879 /nfs/dbraw/zinc/78/58/79/608785879.db2.gz QVYYGBCYFHIKOI-RYUDHWBXSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cc2cc[nH]n2)CC1 ZINC000947230444 608821183 /nfs/dbraw/zinc/82/11/83/608821183.db2.gz RERGHCSPQBWLCG-INIZCTEOSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cc2cc[nH]n2)CC1 ZINC000947230444 608821185 /nfs/dbraw/zinc/82/11/85/608821185.db2.gz RERGHCSPQBWLCG-INIZCTEOSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000948590889 611663411 /nfs/dbraw/zinc/66/34/11/611663411.db2.gz OKBPSDHGHONCPK-AWEZNQCLSA-N 1 1 332.404 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1csnn1 ZINC000937502425 608835145 /nfs/dbraw/zinc/83/51/45/608835145.db2.gz RERPWDFUGNPFFA-OBJOEFQTSA-N 1 1 345.428 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1csnn1 ZINC000937502425 608835148 /nfs/dbraw/zinc/83/51/48/608835148.db2.gz RERPWDFUGNPFFA-OBJOEFQTSA-N 1 1 345.428 0.061 20 30 ECEDMO COc1ccc(N2CC[NH+](CCNC(=O)NCC#CCO)CC2)cc1 ZINC000923781865 608940898 /nfs/dbraw/zinc/94/08/98/608940898.db2.gz DTOUISFRCYFDPY-UHFFFAOYSA-N 1 1 346.431 0.112 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937066100 608947299 /nfs/dbraw/zinc/94/72/99/608947299.db2.gz SYOLSWGBHCKINX-UONOGXRCSA-N 1 1 329.404 0.511 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1C ZINC000947309918 608957329 /nfs/dbraw/zinc/95/73/29/608957329.db2.gz IXWXBORYERJVPC-ZIAGYGMSSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC000937212328 609048864 /nfs/dbraw/zinc/04/88/64/609048864.db2.gz UVUFRQWMHWDZLP-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC000937212328 609048868 /nfs/dbraw/zinc/04/88/68/609048868.db2.gz UVUFRQWMHWDZLP-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO COc1coc(C(=O)N2CCOC3(CC[NH+](CC#N)CC3)C2)cc1=O ZINC000949142333 609080389 /nfs/dbraw/zinc/08/03/89/609080389.db2.gz XGVBJGJGVKYPGM-UHFFFAOYSA-N 1 1 347.371 0.479 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccccn1 ZINC000948666875 611681623 /nfs/dbraw/zinc/68/16/23/611681623.db2.gz BDJTYQAJDWOICX-HOCLYGCPSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccccn1 ZINC000948666875 611681625 /nfs/dbraw/zinc/68/16/25/611681625.db2.gz BDJTYQAJDWOICX-HOCLYGCPSA-N 1 1 326.400 0.510 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)C1CCC1 ZINC000937852980 609116302 /nfs/dbraw/zinc/11/63/02/609116302.db2.gz FXRBXXDBBWXYJR-ZDUSSCGKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cccn2CC)C1 ZINC000937990285 609449073 /nfs/dbraw/zinc/44/90/73/609449073.db2.gz VNZKTGLSMXERSI-RDJZCZTQSA-N 1 1 342.443 0.936 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cccn2CC)C1 ZINC000937990285 609449075 /nfs/dbraw/zinc/44/90/75/609449075.db2.gz VNZKTGLSMXERSI-RDJZCZTQSA-N 1 1 342.443 0.936 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC000938170668 609482647 /nfs/dbraw/zinc/48/26/47/609482647.db2.gz LXBQXDHZBFZTRY-ZFWWWQNUSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC000938170668 609482650 /nfs/dbraw/zinc/48/26/50/609482650.db2.gz LXBQXDHZBFZTRY-ZFWWWQNUSA-N 1 1 343.431 0.400 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000908000602 609639989 /nfs/dbraw/zinc/63/99/89/609639989.db2.gz HIUKRGTXIOWIFU-DLBZAZTESA-N 1 1 349.456 0.919 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000907999678 609639994 /nfs/dbraw/zinc/63/99/94/609639994.db2.gz BWCRGFNFKRXXHS-IAGOWNOFSA-N 1 1 349.456 0.919 20 30 ECEDMO C#CCCCc1nnc(N2CCC(N3CC[NH+](C)CC3)CC2)n1C ZINC000908530088 609656530 /nfs/dbraw/zinc/65/65/30/609656530.db2.gz YHGPDQDOGMLRLF-UHFFFAOYSA-N 1 1 330.480 0.987 20 30 ECEDMO C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000908692370 609657649 /nfs/dbraw/zinc/65/76/49/609657649.db2.gz SKOJTBRDUIRYRX-AHIWAGSCSA-N 1 1 330.436 0.456 20 30 ECEDMO N#C[C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000924025015 609666088 /nfs/dbraw/zinc/66/60/88/609666088.db2.gz JSZWBPWMLCMGMO-SJORKVTESA-N 1 1 349.479 0.728 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@H]1C[N@H+](C)CCN1C ZINC000920012045 609669790 /nfs/dbraw/zinc/66/97/90/609669790.db2.gz ZXMVZOWNQXLSTP-IAQYHMDHSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000920012045 609669791 /nfs/dbraw/zinc/66/97/91/609669791.db2.gz ZXMVZOWNQXLSTP-IAQYHMDHSA-N 1 1 340.424 0.610 20 30 ECEDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CCCC#N)C2 ZINC000920282599 609678197 /nfs/dbraw/zinc/67/81/97/609678197.db2.gz RUPMIVYYPOBLAL-KBXIAJHMSA-N 1 1 329.466 0.689 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000933079110 611706199 /nfs/dbraw/zinc/70/61/99/611706199.db2.gz IRNUYSXFZZZFEO-GOSISDBHSA-N 1 1 333.476 0.902 20 30 ECEDMO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC#CCN(C)C)CC1=O ZINC000913518696 609685098 /nfs/dbraw/zinc/68/50/98/609685098.db2.gz XNXOOQPCQOUHQT-HOTGVXAUSA-N 1 1 334.464 0.000 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC#CCN(C)C)CC1=O ZINC000913518696 609685100 /nfs/dbraw/zinc/68/51/00/609685100.db2.gz XNXOOQPCQOUHQT-HOTGVXAUSA-N 1 1 334.464 0.000 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000921438294 609716584 /nfs/dbraw/zinc/71/65/84/609716584.db2.gz WZBQIEUFRDHSKC-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO C=C(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1)C(=O)OC ZINC000913661545 609808324 /nfs/dbraw/zinc/80/83/24/609808324.db2.gz NMFSAMBIACWCSB-UONOGXRCSA-N 1 1 340.420 0.886 20 30 ECEDMO C=C(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1)C(=O)OC ZINC000913661545 609808325 /nfs/dbraw/zinc/80/83/25/609808325.db2.gz NMFSAMBIACWCSB-UONOGXRCSA-N 1 1 340.420 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000938480254 609808883 /nfs/dbraw/zinc/80/88/83/609808883.db2.gz JUTFUJSLSCEWEY-BIVLZKPYSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000938480254 609808886 /nfs/dbraw/zinc/80/88/86/609808886.db2.gz JUTFUJSLSCEWEY-BIVLZKPYSA-N 1 1 329.444 0.847 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000938540602 609858791 /nfs/dbraw/zinc/85/87/91/609858791.db2.gz YYZQTPXJSYZMHP-WBVHZDCISA-N 1 1 340.427 0.688 20 30 ECEDMO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)CC(C)(C)C#N)CC1 ZINC000914388762 609881840 /nfs/dbraw/zinc/88/18/40/609881840.db2.gz DGFFGTJVMIVXQV-UHFFFAOYSA-N 1 1 330.498 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2c(Br)cnn2C)C1 ZINC000923596526 609901002 /nfs/dbraw/zinc/90/10/02/609901002.db2.gz SPNULUVYLJOZRD-LLVKDONJSA-N 1 1 339.237 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c(Br)cnn2C)C1 ZINC000923596526 609901003 /nfs/dbraw/zinc/90/10/03/609901003.db2.gz SPNULUVYLJOZRD-LLVKDONJSA-N 1 1 339.237 0.939 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccn[nH]3)C2)CC1 ZINC000938669160 609932873 /nfs/dbraw/zinc/93/28/73/609932873.db2.gz FBYUAPSTBKJYDR-OAHLLOKOSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ncccn2)C1 ZINC000938756242 609982005 /nfs/dbraw/zinc/98/20/05/609982005.db2.gz LAUDZLAHAUGOSA-GJZGRUSLSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ncccn2)C1 ZINC000938756242 609982007 /nfs/dbraw/zinc/98/20/07/609982007.db2.gz LAUDZLAHAUGOSA-GJZGRUSLSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cnns2)C1 ZINC000938756864 609982453 /nfs/dbraw/zinc/98/24/53/609982453.db2.gz ZMYPIXXIMBVBNU-STQMWFEESA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cnns2)C1 ZINC000938756864 609982454 /nfs/dbraw/zinc/98/24/54/609982454.db2.gz ZMYPIXXIMBVBNU-STQMWFEESA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccccn2)C1 ZINC000938756831 609982466 /nfs/dbraw/zinc/98/24/66/609982466.db2.gz ZADCQRPQUGPWBC-RDJZCZTQSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccccn2)C1 ZINC000938756831 609982467 /nfs/dbraw/zinc/98/24/67/609982467.db2.gz ZADCQRPQUGPWBC-RDJZCZTQSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CCN(C(=O)N[C@@H](C)CS(=O)(=O)CC)C1CC[NH+](C)CC1 ZINC000918620079 610011817 /nfs/dbraw/zinc/01/18/17/610011817.db2.gz GWHYBAJQSHHZTQ-ZDUSSCGKSA-N 1 1 329.466 0.549 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000919044172 610029597 /nfs/dbraw/zinc/02/95/97/610029597.db2.gz MFTYDJIJOBMQBF-ARFHVFGLSA-N 1 1 325.453 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000939264003 610139712 /nfs/dbraw/zinc/13/97/12/610139712.db2.gz QOEOIOMQOMKZRV-RDJZCZTQSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000939264003 610139713 /nfs/dbraw/zinc/13/97/13/610139713.db2.gz QOEOIOMQOMKZRV-RDJZCZTQSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2oncc2C)C1 ZINC000939446621 610201403 /nfs/dbraw/zinc/20/14/03/610201403.db2.gz JTNNITRYEIYJMH-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2oncc2C)C1 ZINC000939446621 610201405 /nfs/dbraw/zinc/20/14/05/610201405.db2.gz JTNNITRYEIYJMH-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC000940151033 610227118 /nfs/dbraw/zinc/22/71/18/610227118.db2.gz CYHSPJPWOFPPOY-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC000940151033 610227120 /nfs/dbraw/zinc/22/71/20/610227120.db2.gz CYHSPJPWOFPPOY-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3CC)C2)nc1 ZINC000939554972 610238297 /nfs/dbraw/zinc/23/82/97/610238297.db2.gz MBBQTYYHDITKAN-CZUORRHYSA-N 1 1 338.415 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC000939629960 610254971 /nfs/dbraw/zinc/25/49/71/610254971.db2.gz JDAGCVQLXRHWQU-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC000939629960 610254972 /nfs/dbraw/zinc/25/49/72/610254972.db2.gz JDAGCVQLXRHWQU-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000940326612 610265771 /nfs/dbraw/zinc/26/57/71/610265771.db2.gz HIOWBFAZNKNXFQ-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000940326612 610265772 /nfs/dbraw/zinc/26/57/72/610265772.db2.gz HIOWBFAZNKNXFQ-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000940528741 610294311 /nfs/dbraw/zinc/29/43/11/610294311.db2.gz QSOGIGURZFGQPQ-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000940545616 610297409 /nfs/dbraw/zinc/29/74/09/610297409.db2.gz BNQHCDBJTVEXJO-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC000941427158 610301037 /nfs/dbraw/zinc/30/10/37/610301037.db2.gz RCYOHMYOUKDICT-UHFFFAOYSA-N 1 1 327.432 0.261 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC000941427285 610301273 /nfs/dbraw/zinc/30/12/73/610301273.db2.gz UDRXYZUNHBILFY-UHFFFAOYSA-N 1 1 329.448 0.814 20 30 ECEDMO C=C(C)CN1CC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941413806 610303014 /nfs/dbraw/zinc/30/30/14/610303014.db2.gz FTHYIXYVNPGZRM-AEFFLSMTSA-N 1 1 348.491 0.254 20 30 ECEDMO C=CCCN1CC(N2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941414346 610303166 /nfs/dbraw/zinc/30/31/66/610303166.db2.gz REZBUFLKFVGTFM-FUHWJXTLSA-N 1 1 348.491 0.254 20 30 ECEDMO C=CCCN1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941414346 610303168 /nfs/dbraw/zinc/30/31/68/610303168.db2.gz REZBUFLKFVGTFM-FUHWJXTLSA-N 1 1 348.491 0.254 20 30 ECEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(C2CN(CC#N)C2)CC1 ZINC000941413868 610303193 /nfs/dbraw/zinc/30/31/93/610303193.db2.gz HVWHRXDZSAJFEN-OAHLLOKOSA-N 1 1 344.463 0.749 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCOC[C@H]3OC)CC2)C1 ZINC000941432797 610313270 /nfs/dbraw/zinc/31/32/70/610313270.db2.gz HAYJKDLINNIPKS-DOTOQJQBSA-N 1 1 337.464 0.442 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cncc(OC)c3C)CC2)C1 ZINC000941457453 610319274 /nfs/dbraw/zinc/31/92/74/610319274.db2.gz ZNZOEQQDIJAMBH-UHFFFAOYSA-N 1 1 342.443 0.864 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940659314 610326833 /nfs/dbraw/zinc/32/68/33/610326833.db2.gz VZPVUZMLEXADJA-RISCZKNCSA-N 1 1 331.420 0.851 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000941467103 610328154 /nfs/dbraw/zinc/32/81/54/610328154.db2.gz ZEXHTQSAVNRQNU-MRXNPFEDSA-N 1 1 343.475 0.850 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cn2ccnc2)CC1 ZINC000941464879 610333929 /nfs/dbraw/zinc/33/39/29/610333929.db2.gz BCEUWBUQNNYHJD-INIZCTEOSA-N 1 1 343.431 0.042 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cn2ccnc2)CC1 ZINC000941464879 610333930 /nfs/dbraw/zinc/33/39/30/610333930.db2.gz BCEUWBUQNNYHJD-INIZCTEOSA-N 1 1 343.431 0.042 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4nncn4CC3)CC2)C1 ZINC000941491181 610340404 /nfs/dbraw/zinc/34/04/04/610340404.db2.gz LEPDXRIQJQMOJC-HNNXBMFYSA-N 1 1 344.463 0.245 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C ZINC000947895401 610361985 /nfs/dbraw/zinc/36/19/85/610361985.db2.gz MCRZNNYTBXTDTN-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)cc(C)[nH]c3=O)CC2)C1 ZINC000941531904 610363609 /nfs/dbraw/zinc/36/36/09/610363609.db2.gz JOLQZTWSPWZKNJ-UHFFFAOYSA-N 1 1 344.459 0.961 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H](C)C1 ZINC000942285526 610373609 /nfs/dbraw/zinc/37/36/09/610373609.db2.gz DGZPBLFEEKMEFQ-AAEUAGOBSA-N 1 1 328.372 0.486 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000940812608 610386083 /nfs/dbraw/zinc/38/60/83/610386083.db2.gz MTJMDDIOQJIJDO-CQSZACIVSA-N 1 1 343.431 0.903 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CC2)C1 ZINC000941566356 610386357 /nfs/dbraw/zinc/38/63/57/610386357.db2.gz CSBDZXOUJAENAG-INIZCTEOSA-N 1 1 341.459 0.216 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)C1 ZINC000941593601 610389006 /nfs/dbraw/zinc/38/90/06/610389006.db2.gz RQRJNXMCQPOZKG-UHFFFAOYSA-N 1 1 341.459 0.613 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C ZINC000947895901 610393465 /nfs/dbraw/zinc/39/34/65/610393465.db2.gz TXWDQXQJAKRWLW-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000940847383 610398585 /nfs/dbraw/zinc/39/85/85/610398585.db2.gz WMVDFQCCLBJVLE-HNNXBMFYSA-N 1 1 334.464 0.000 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C(C)(C)C1 ZINC000940862723 610400340 /nfs/dbraw/zinc/40/03/40/610400340.db2.gz VEYHQERVEAYDKP-INIZCTEOSA-N 1 1 345.443 0.958 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)C(C)(C)C1 ZINC000940867429 610403432 /nfs/dbraw/zinc/40/34/32/610403432.db2.gz ANKGDFFPMGOVJM-OAHLLOKOSA-N 1 1 330.432 0.978 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn(CC)c3C)CC2)C1 ZINC000941614525 610410497 /nfs/dbraw/zinc/41/04/97/610410497.db2.gz AXYRPENMUBJRPM-UHFFFAOYSA-N 1 1 329.448 0.677 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3sccn3c2=O)[C@H](C)C1 ZINC000942341891 610412577 /nfs/dbraw/zinc/41/25/77/610412577.db2.gz CIXZVVHFTDHQKT-DGCLKSJQSA-N 1 1 330.413 0.829 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3scnc3COC)CC2)C1 ZINC000941596679 610413929 /nfs/dbraw/zinc/41/39/29/610413929.db2.gz MTAJKAZYJIYQHE-UHFFFAOYSA-N 1 1 336.461 0.918 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cccc(OC)n3)CC2)C1 ZINC000941628453 610416774 /nfs/dbraw/zinc/41/67/74/610416774.db2.gz UXSRTBBLEVCCAN-UHFFFAOYSA-N 1 1 328.416 0.556 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cncnc3C3CC3)CC2)C1 ZINC000941654640 610429814 /nfs/dbraw/zinc/42/98/14/610429814.db2.gz KSMTVBDXIGFAPN-UHFFFAOYSA-N 1 1 327.432 0.982 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](C)C1 ZINC000942390929 610432890 /nfs/dbraw/zinc/43/28/90/610432890.db2.gz CZEMYJZNSBJIQC-GJZGRUSLSA-N 1 1 346.431 0.353 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000940937665 610438193 /nfs/dbraw/zinc/43/81/93/610438193.db2.gz CZUDMWARODNTNY-ZDUSSCGKSA-N 1 1 342.871 0.387 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000940937665 610438195 /nfs/dbraw/zinc/43/81/95/610438195.db2.gz CZUDMWARODNTNY-ZDUSSCGKSA-N 1 1 342.871 0.387 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cccc(C(=O)NC)n3)CC2)C1 ZINC000941653486 610443343 /nfs/dbraw/zinc/44/33/43/610443343.db2.gz WGGKOMNXOBAIHW-UHFFFAOYSA-N 1 1 343.431 0.069 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000941673899 610447180 /nfs/dbraw/zinc/44/71/80/610447180.db2.gz GGHIUSUUVRKGIJ-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)N3CCCCC3=O)CC2)C1 ZINC000941677061 610449888 /nfs/dbraw/zinc/44/98/88/610449888.db2.gz IZZBGNFLNGWOSJ-MRXNPFEDSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3ccc(C)nc3)CC2)C1 ZINC000941669307 610459357 /nfs/dbraw/zinc/45/93/57/610459357.db2.gz YGVDSUMCNVOPPY-UHFFFAOYSA-N 1 1 326.444 0.784 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000942434374 610459642 /nfs/dbraw/zinc/45/96/42/610459642.db2.gz HURJDMGPAYOSCK-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000942434762 610460518 /nfs/dbraw/zinc/46/05/18/610460518.db2.gz LJZYJGFCGGTRGZ-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(N(C)C)ccn3)CC2)C1 ZINC000941681714 610461348 /nfs/dbraw/zinc/46/13/48/610461348.db2.gz XEXUSUQORZTYIO-UHFFFAOYSA-N 1 1 329.448 0.776 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CC2(O)CCC2)CC1 ZINC000940981199 610467031 /nfs/dbraw/zinc/46/70/31/610467031.db2.gz HVIXTFRTEMRKIL-INIZCTEOSA-N 1 1 347.459 0.450 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CC2(O)CCC2)CC1 ZINC000940981199 610467032 /nfs/dbraw/zinc/46/70/32/610467032.db2.gz HVIXTFRTEMRKIL-INIZCTEOSA-N 1 1 347.459 0.450 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)CC1 ZINC000940963518 610468481 /nfs/dbraw/zinc/46/84/81/610468481.db2.gz CECJDKPKCXEVCN-MRXNPFEDSA-N 1 1 343.431 0.015 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)CC2(C)C)c1 ZINC000941015846 610495056 /nfs/dbraw/zinc/49/50/56/610495056.db2.gz VDJPPRFYFGSGRB-INIZCTEOSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](C)C1 ZINC000942543414 610505932 /nfs/dbraw/zinc/50/59/32/610505932.db2.gz VJCZVINZWKMTRH-LSDHHAIUSA-N 1 1 343.431 0.899 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](C)C1 ZINC000942542874 610506058 /nfs/dbraw/zinc/50/60/58/610506058.db2.gz LVKNMNMOICEPEI-GJZGRUSLSA-N 1 1 343.431 0.899 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](C)C1 ZINC000942551307 610509876 /nfs/dbraw/zinc/50/98/76/610509876.db2.gz RBZOCBXQKRWUIO-WFASDCNBSA-N 1 1 330.432 0.861 20 30 ECEDMO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941791036 610510294 /nfs/dbraw/zinc/51/02/94/610510294.db2.gz QLBRBRBRLQQCOP-RDJZCZTQSA-N 1 1 338.415 0.551 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942563175 610519479 /nfs/dbraw/zinc/51/94/79/610519479.db2.gz VVZYIVLOBQQTEF-GXFFZTMASA-N 1 1 345.432 0.784 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 ZINC000941067321 610524093 /nfs/dbraw/zinc/52/40/93/610524093.db2.gz ARXFSAZXGTYYQP-ZDUSSCGKSA-N 1 1 334.420 0.100 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@H](C)C1 ZINC000942581227 610525172 /nfs/dbraw/zinc/52/51/72/610525172.db2.gz CFZMTURBJKFHCR-OCCSQVGLSA-N 1 1 326.404 0.827 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC2(C)C)nn1 ZINC000941088470 610530532 /nfs/dbraw/zinc/53/05/32/610530532.db2.gz YCICXWDULVZXRU-CYBMUJFWSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)CC2(C)C)nn1 ZINC000941088470 610530533 /nfs/dbraw/zinc/53/05/33/610530533.db2.gz YCICXWDULVZXRU-CYBMUJFWSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC000941934115 610569916 /nfs/dbraw/zinc/56/99/16/610569916.db2.gz MPYMIKGUYXGTNL-ZBFHGGJFSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC000941934115 610569918 /nfs/dbraw/zinc/56/99/18/610569918.db2.gz MPYMIKGUYXGTNL-ZBFHGGJFSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(=O)NC)n2)C(C)(C)C1 ZINC000941192136 610586852 /nfs/dbraw/zinc/58/68/52/610586852.db2.gz YEZNGDZQOZPERP-OAHLLOKOSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@@H](C)C1 ZINC000942723955 610587248 /nfs/dbraw/zinc/58/72/48/610587248.db2.gz RGJXMZCUIWBTOK-GJZGRUSLSA-N 1 1 344.459 0.987 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966558 610587954 /nfs/dbraw/zinc/58/79/54/610587954.db2.gz MIAVAHMVONBFDZ-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941226783 610610488 /nfs/dbraw/zinc/61/04/88/610610488.db2.gz SRAJUTIJCIWRBE-KGLIPLIRSA-N 1 1 343.493 0.861 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN([C@@H](C)C(N)=O)CC2(C)C)CC1 ZINC000941237409 610620970 /nfs/dbraw/zinc/62/09/70/610620970.db2.gz MVHFIIXDANVXTI-GOEBONIOSA-N 1 1 348.491 0.422 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000942099905 610651061 /nfs/dbraw/zinc/65/10/61/610651061.db2.gz MNZSEXUXBQYHFL-LSDHHAIUSA-N 1 1 343.493 0.815 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H](C)C1 ZINC000942859903 610651434 /nfs/dbraw/zinc/65/14/34/610651434.db2.gz OXLPENAPNAFCPB-ZIAGYGMSSA-N 1 1 330.432 0.814 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 ZINC000942107426 610653847 /nfs/dbraw/zinc/65/38/47/610653847.db2.gz WDHRPHKBTPNHFO-CABCVRRESA-N 1 1 348.447 0.340 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2nc(OC)cc(OC)n2)[C@@H](C)C1 ZINC000942184012 610687406 /nfs/dbraw/zinc/68/74/06/610687406.db2.gz QCGBUJFZMNLQFZ-QWHCGFSZSA-N 1 1 332.404 0.957 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc3ccc(OC)nn32)[C@H](C)C1 ZINC000942197409 610692395 /nfs/dbraw/zinc/69/23/95/610692395.db2.gz VTUJRBGOYQVYQG-CHWSQXEVSA-N 1 1 327.388 0.811 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@@H](C)C1 ZINC000942220609 610701478 /nfs/dbraw/zinc/70/14/78/610701478.db2.gz UJQINKWVSQFWOW-DOTOQJQBSA-N 1 1 345.443 0.958 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)CC[N@H+]1C ZINC000944730819 610743384 /nfs/dbraw/zinc/74/33/84/610743384.db2.gz MYCQZHVREUJASU-BHYGNILZSA-N 1 1 347.459 0.474 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000943261486 610778480 /nfs/dbraw/zinc/77/84/80/610778480.db2.gz QJUCSNQBKBAJEC-CABCVRRESA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)CC1 ZINC000944883752 610828025 /nfs/dbraw/zinc/82/80/25/610828025.db2.gz HQNZBABZZFWJJH-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC000944967930 610861020 /nfs/dbraw/zinc/86/10/20/610861020.db2.gz WOWYWKMQQJJIIJ-HOTGVXAUSA-N 1 1 342.443 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC000944967930 610861023 /nfs/dbraw/zinc/86/10/23/610861023.db2.gz WOWYWKMQQJJIIJ-HOTGVXAUSA-N 1 1 342.443 0.695 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000945030344 610886990 /nfs/dbraw/zinc/88/69/90/610886990.db2.gz JIJKQCZKMXSTIF-CABCVRRESA-N 1 1 332.448 0.939 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H](C)C1 ZINC000943647741 610928016 /nfs/dbraw/zinc/92/80/16/610928016.db2.gz QTVQGDJZJXNDTH-RISCZKNCSA-N 1 1 329.404 0.957 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 ZINC000945180092 610934360 /nfs/dbraw/zinc/93/43/60/610934360.db2.gz KFYKOOLYQUDECH-STQMWFEESA-N 1 1 334.424 0.170 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H](C)C1 ZINC000944531851 610951013 /nfs/dbraw/zinc/95/10/13/610951013.db2.gz KEEYDGRNCCXPEW-JSGCOSHPSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)C2CC=CC2)C1 ZINC000944524625 610969592 /nfs/dbraw/zinc/96/95/92/610969592.db2.gz DMADAPVYXHHPNT-SJORKVTESA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)C2CC=CC2)C1 ZINC000944524625 610969594 /nfs/dbraw/zinc/96/95/94/610969594.db2.gz DMADAPVYXHHPNT-SJORKVTESA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=COCCO1 ZINC000943845071 611000866 /nfs/dbraw/zinc/00/08/66/611000866.db2.gz QYAXDVRQTFIFSW-CABCVRRESA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=COCCO1 ZINC000943845071 611000869 /nfs/dbraw/zinc/00/08/69/611000869.db2.gz QYAXDVRQTFIFSW-CABCVRRESA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1cccn1 ZINC000943864514 611007553 /nfs/dbraw/zinc/00/75/53/611007553.db2.gz JGHKOENVIXUXSD-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1cccn1 ZINC000943864514 611007557 /nfs/dbraw/zinc/00/75/57/611007557.db2.gz JGHKOENVIXUXSD-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@H](C)C1 ZINC000944621600 611018378 /nfs/dbraw/zinc/01/83/78/611018378.db2.gz XMWYMXVULHQRJC-RISCZKNCSA-N 1 1 326.404 0.815 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccn(C)c1 ZINC000943958289 611056520 /nfs/dbraw/zinc/05/65/20/611056520.db2.gz BURGRYQWUIXCQT-SJORKVTESA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccn(C)c1 ZINC000943958289 611056523 /nfs/dbraw/zinc/05/65/23/611056523.db2.gz BURGRYQWUIXCQT-SJORKVTESA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c([nH]c2=O)CCOC3)[C@H](C)C1 ZINC000944082016 611118251 /nfs/dbraw/zinc/11/82/51/611118251.db2.gz VKOFUWBVKHSALL-IUODEOHRSA-N 1 1 329.400 0.933 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cccnn1 ZINC000944100861 611124319 /nfs/dbraw/zinc/12/43/19/611124319.db2.gz SOGPBRZHNLKZOW-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cccnn1 ZINC000944100861 611124320 /nfs/dbraw/zinc/12/43/20/611124320.db2.gz SOGPBRZHNLKZOW-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000944097983 611130598 /nfs/dbraw/zinc/13/05/98/611130598.db2.gz RKBRPDGZRBKQFF-NRKLIOEPSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000944097983 611130599 /nfs/dbraw/zinc/13/05/99/611130599.db2.gz RKBRPDGZRBKQFF-NRKLIOEPSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC000944099957 611131283 /nfs/dbraw/zinc/13/12/83/611131283.db2.gz KKOUZCXKLXMTSH-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC000944099957 611131285 /nfs/dbraw/zinc/13/12/85/611131285.db2.gz KKOUZCXKLXMTSH-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000945803924 611145915 /nfs/dbraw/zinc/14/59/15/611145915.db2.gz VERDFBMFZWWICS-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000945803924 611145916 /nfs/dbraw/zinc/14/59/16/611145916.db2.gz VERDFBMFZWWICS-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]3CC2)nn1 ZINC000946810478 611169822 /nfs/dbraw/zinc/16/98/22/611169822.db2.gz HBYRNBORISGVPH-GASCZTMLSA-N 1 1 333.436 0.631 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)CC[C@@H]2C1 ZINC000946881159 611221274 /nfs/dbraw/zinc/22/12/74/611221274.db2.gz SUJGWCOMRRTTKV-IYBDPMFKSA-N 1 1 347.463 0.637 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCCCS2(=O)=O)CC1 ZINC000948621191 611224565 /nfs/dbraw/zinc/22/45/65/611224565.db2.gz MEJPPSRGUMUOKR-HNNXBMFYSA-N 1 1 343.493 0.911 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)CC[C@@H]2C1 ZINC000946884937 611225059 /nfs/dbraw/zinc/22/50/59/611225059.db2.gz QHOBAMVHCOHFOI-BETUJISGSA-N 1 1 329.404 0.546 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3cn(C)nn3)CC[C@@H]2C1 ZINC000946914113 611257273 /nfs/dbraw/zinc/25/72/73/611257273.db2.gz WPKWTCZWCHMEKY-IYBDPMFKSA-N 1 1 329.448 0.941 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC[C@@H]2C1 ZINC000946915689 611258192 /nfs/dbraw/zinc/25/81/92/611258192.db2.gz RDUPXTIPEBNWBG-ZNMIVQPWSA-N 1 1 331.416 0.233 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CNc2ccc(S(C)(=O)=O)cc2)C1 ZINC000923553605 611259650 /nfs/dbraw/zinc/25/96/50/611259650.db2.gz LIXWUUZBUOFLCG-OAHLLOKOSA-N 1 1 349.456 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CNc2ccc(S(C)(=O)=O)cc2)C1 ZINC000923553605 611259652 /nfs/dbraw/zinc/25/96/52/611259652.db2.gz LIXWUUZBUOFLCG-OAHLLOKOSA-N 1 1 349.456 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c([nH]c2=O)CCC[C@H]3O)C1 ZINC000923554275 611260039 /nfs/dbraw/zinc/26/00/39/611260039.db2.gz MCWLWWOAHJQZQE-BLLLJJGKSA-N 1 1 329.400 0.984 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c([nH]c2=O)CCC[C@H]3O)C1 ZINC000923554275 611260040 /nfs/dbraw/zinc/26/00/40/611260040.db2.gz MCWLWWOAHJQZQE-BLLLJJGKSA-N 1 1 329.400 0.984 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000923561264 611262244 /nfs/dbraw/zinc/26/22/44/611262244.db2.gz WSXZFDVAHNXFSQ-UXLLHSPISA-N 1 1 343.431 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000923561264 611262245 /nfs/dbraw/zinc/26/22/45/611262245.db2.gz WSXZFDVAHNXFSQ-UXLLHSPISA-N 1 1 343.431 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)C1 ZINC000923578475 611266960 /nfs/dbraw/zinc/26/69/60/611266960.db2.gz GNCHWWQAPJPSMS-CYBMUJFWSA-N 1 1 327.388 0.087 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)C1 ZINC000923578475 611266962 /nfs/dbraw/zinc/26/69/62/611266962.db2.gz GNCHWWQAPJPSMS-CYBMUJFWSA-N 1 1 327.388 0.087 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)Cc2cccc(F)c2)C1 ZINC000923587270 611269946 /nfs/dbraw/zinc/26/99/46/611269946.db2.gz XRAHZHRSSCVEBQ-MRXNPFEDSA-N 1 1 331.391 0.698 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)Cc2cccc(F)c2)C1 ZINC000923587270 611269947 /nfs/dbraw/zinc/26/99/47/611269947.db2.gz XRAHZHRSSCVEBQ-MRXNPFEDSA-N 1 1 331.391 0.698 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000923588021 611269996 /nfs/dbraw/zinc/26/99/96/611269996.db2.gz HALJYIVZZMELQZ-GFCCVEGCSA-N 1 1 341.458 0.240 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000923588021 611269997 /nfs/dbraw/zinc/26/99/97/611269997.db2.gz HALJYIVZZMELQZ-GFCCVEGCSA-N 1 1 341.458 0.240 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2nn(C)c(=O)c3ccccc23)C1 ZINC000923591777 611271460 /nfs/dbraw/zinc/27/14/60/611271460.db2.gz KBCLEGCRCXYJGX-AWEZNQCLSA-N 1 1 338.411 0.690 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2nn(C)c(=O)c3ccccc23)C1 ZINC000923591777 611271461 /nfs/dbraw/zinc/27/14/61/611271461.db2.gz KBCLEGCRCXYJGX-AWEZNQCLSA-N 1 1 338.411 0.690 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)C1 ZINC000923594022 611275099 /nfs/dbraw/zinc/27/50/99/611275099.db2.gz FNWJQICNKDTIRB-CQSZACIVSA-N 1 1 327.384 0.869 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)C1 ZINC000923594022 611275101 /nfs/dbraw/zinc/27/51/01/611275101.db2.gz FNWJQICNKDTIRB-CQSZACIVSA-N 1 1 327.384 0.869 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000946472615 611278781 /nfs/dbraw/zinc/27/87/81/611278781.db2.gz JZPCPCQADDWQBY-IRXDYDNUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000946472615 611278782 /nfs/dbraw/zinc/27/87/82/611278782.db2.gz JZPCPCQADDWQBY-IRXDYDNUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H](C)C2)nc1 ZINC000947947718 611294384 /nfs/dbraw/zinc/29/43/84/611294384.db2.gz JACRFYFUUWBANI-HIFRSBDPSA-N 1 1 328.416 0.734 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2CC1 ZINC000946520880 611298583 /nfs/dbraw/zinc/29/85/83/611298583.db2.gz AMYMBTABHGKLCD-HRCADAONSA-N 1 1 348.447 0.175 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(N(C)C)no3)C[C@H]2CC1 ZINC000946521638 611298999 /nfs/dbraw/zinc/29/89/99/611298999.db2.gz YEVSNGDCXXOTTG-MELADBBJSA-N 1 1 346.435 0.966 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3nc(N(C)C)no3)C[C@H]2CC1 ZINC000946521638 611299001 /nfs/dbraw/zinc/29/90/01/611299001.db2.gz YEVSNGDCXXOTTG-MELADBBJSA-N 1 1 346.435 0.966 20 30 ECEDMO C[C@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)c2nccn21 ZINC000834925449 611305397 /nfs/dbraw/zinc/30/53/97/611305397.db2.gz NXSUBKOHVGKVAQ-LBPRGKRZSA-N 1 1 336.465 0.738 20 30 ECEDMO C#CCOCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000921934201 611327311 /nfs/dbraw/zinc/32/73/11/611327311.db2.gz SNXFTOZMWDJDQV-YFHUEUNASA-N 1 1 337.464 0.805 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CC(=O)NCC[N@H+](C)CCOCCO ZINC000922126527 611337977 /nfs/dbraw/zinc/33/79/77/611337977.db2.gz AQHNLNNLOJCOBH-UHFFFAOYSA-N 1 1 333.432 0.775 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1C ZINC000947899942 611736247 /nfs/dbraw/zinc/73/62/47/611736247.db2.gz OALFHYQVPOLRJF-KBPBESRZSA-N 1 1 333.436 0.536 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933749511 611746641 /nfs/dbraw/zinc/74/66/41/611746641.db2.gz BMVNHQBAAUXCND-MPGHIAIKSA-N 1 1 329.400 0.885 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)[C@H](C)C2)cn1 ZINC000947948151 611752354 /nfs/dbraw/zinc/75/23/54/611752354.db2.gz LNXIZYFRJNEDIT-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000948962331 611773182 /nfs/dbraw/zinc/77/31/82/611773182.db2.gz RJBCTLAAYQLRDD-BBWFWOEESA-N 1 1 349.475 0.884 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)CCC1(O)CCC1 ZINC000929826130 611798066 /nfs/dbraw/zinc/79/80/66/611798066.db2.gz UDGPFIXFJKMWQG-LSDHHAIUSA-N 1 1 345.447 0.915 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)CCC1(O)CCC1 ZINC000929826130 611798067 /nfs/dbraw/zinc/79/80/67/611798067.db2.gz UDGPFIXFJKMWQG-LSDHHAIUSA-N 1 1 345.447 0.915 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)nc1 ZINC000950074353 611858121 /nfs/dbraw/zinc/85/81/21/611858121.db2.gz OBABETGKNNIFDO-GJZGRUSLSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000950723149 611863886 /nfs/dbraw/zinc/86/38/86/611863886.db2.gz CEPQWSFIJIYMNU-KGLIPLIRSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000950723149 611863888 /nfs/dbraw/zinc/86/38/88/611863888.db2.gz CEPQWSFIJIYMNU-KGLIPLIRSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnc(C)s1 ZINC000950754957 611890158 /nfs/dbraw/zinc/89/01/58/611890158.db2.gz ACAARXIVQAADST-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnc(C)s1 ZINC000950754957 611890160 /nfs/dbraw/zinc/89/01/60/611890160.db2.gz ACAARXIVQAADST-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)ncn1 ZINC000950755081 611890671 /nfs/dbraw/zinc/89/06/71/611890671.db2.gz CSIGKGUUHYPWHK-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)ncn1 ZINC000950755081 611890672 /nfs/dbraw/zinc/89/06/72/611890672.db2.gz CSIGKGUUHYPWHK-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c(C)n[nH]c1C ZINC000950755118 611890932 /nfs/dbraw/zinc/89/09/32/611890932.db2.gz DTRZNNIWHZSFPE-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c(C)n[nH]c1C ZINC000950755118 611890933 /nfs/dbraw/zinc/89/09/33/611890933.db2.gz DTRZNNIWHZSFPE-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1nc(C)c[nH]1 ZINC000950755774 611891403 /nfs/dbraw/zinc/89/14/03/611891403.db2.gz UGIKJAXVNPBYRP-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1nc(C)c[nH]1 ZINC000950755774 611891404 /nfs/dbraw/zinc/89/14/04/611891404.db2.gz UGIKJAXVNPBYRP-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1nc(C)c[nH]1 ZINC000950755773 611891420 /nfs/dbraw/zinc/89/14/20/611891420.db2.gz UGIKJAXVNPBYRP-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1nc(C)c[nH]1 ZINC000950755773 611891421 /nfs/dbraw/zinc/89/14/21/611891421.db2.gz UGIKJAXVNPBYRP-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000950252476 611929251 /nfs/dbraw/zinc/92/92/51/611929251.db2.gz RZSALJSJKDPTHT-HRCADAONSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395565 611963544 /nfs/dbraw/zinc/96/35/44/611963544.db2.gz VDGGIAZGBPBULL-SFHVURJKSA-N 1 1 347.459 0.619 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395565 611963545 /nfs/dbraw/zinc/96/35/45/611963545.db2.gz VDGGIAZGBPBULL-SFHVURJKSA-N 1 1 347.459 0.619 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)CC2)C1 ZINC000949427558 611975670 /nfs/dbraw/zinc/97/56/70/611975670.db2.gz PDSDZTJWJDLEOJ-INIZCTEOSA-N 1 1 348.447 0.987 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)CC2)C1 ZINC000949427558 611975671 /nfs/dbraw/zinc/97/56/71/611975671.db2.gz PDSDZTJWJDLEOJ-INIZCTEOSA-N 1 1 348.447 0.987 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC000949450628 611985157 /nfs/dbraw/zinc/98/51/57/611985157.db2.gz CAPKZNYTOGDOOZ-UHFFFAOYSA-N 1 1 332.404 0.653 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949512258 612016169 /nfs/dbraw/zinc/01/61/69/612016169.db2.gz TYVXKAUOOQELHZ-HNNXBMFYSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC000949526158 612021181 /nfs/dbraw/zinc/02/11/81/612021181.db2.gz GTJMJGVZENTELU-UHFFFAOYSA-N 1 1 347.459 0.716 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cncc(C(N)=O)c3)CC2)C1 ZINC000949529115 612022152 /nfs/dbraw/zinc/02/21/52/612022152.db2.gz JUCPNMVAUZXIFG-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cncc(C(N)=O)c3)CC2)C1 ZINC000949529115 612022154 /nfs/dbraw/zinc/02/21/54/612022154.db2.gz JUCPNMVAUZXIFG-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950517240 612049449 /nfs/dbraw/zinc/04/94/49/612049449.db2.gz KHABMQLRFRQIDM-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(CCn2cccn2)C1 ZINC000950534067 612058161 /nfs/dbraw/zinc/05/81/61/612058161.db2.gz QBXNVMQVEMMFRD-KRWDZBQOSA-N 1 1 329.448 0.513 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(CCn2cccn2)C1 ZINC000950534067 612058162 /nfs/dbraw/zinc/05/81/62/612058162.db2.gz QBXNVMQVEMMFRD-KRWDZBQOSA-N 1 1 329.448 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccon2)C1 ZINC000951223624 612088198 /nfs/dbraw/zinc/08/81/98/612088198.db2.gz MBZVSTLJWDSUPJ-ZFWWWQNUSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccon2)C1 ZINC000951223624 612088200 /nfs/dbraw/zinc/08/82/00/612088200.db2.gz MBZVSTLJWDSUPJ-ZFWWWQNUSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC000951223876 612089229 /nfs/dbraw/zinc/08/92/29/612089229.db2.gz RREKLOGZMCEIBT-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC000951223876 612089231 /nfs/dbraw/zinc/08/92/31/612089231.db2.gz RREKLOGZMCEIBT-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000951354112 612178807 /nfs/dbraw/zinc/17/88/07/612178807.db2.gz HWQNOZKEDJTGST-QXGUJMOYSA-N 1 1 347.459 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC000951382056 612196566 /nfs/dbraw/zinc/19/65/66/612196566.db2.gz SEFQWLITOACSEG-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC000951386211 612199157 /nfs/dbraw/zinc/19/91/57/612199157.db2.gz XFLSKRVSOXRQPS-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000951410229 612211033 /nfs/dbraw/zinc/21/10/33/612211033.db2.gz ATXZKADIEPIAFC-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1c[nH+]cc1C ZINC000952177757 612265378 /nfs/dbraw/zinc/26/53/78/612265378.db2.gz MBSPSTDPMITCJP-ZNMIVQPWSA-N 1 1 332.404 0.500 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000951494534 612269208 /nfs/dbraw/zinc/26/92/08/612269208.db2.gz OIZABMWTLPOCLE-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000952219574 612296981 /nfs/dbraw/zinc/29/69/81/612296981.db2.gz UEBSOPFRXUHMRS-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CC(C)(C)O)CC1 ZINC000952343507 612375869 /nfs/dbraw/zinc/37/58/69/612375869.db2.gz OSNVROWIBPYJJH-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CC(C)(C)O)CC1 ZINC000952343507 612375875 /nfs/dbraw/zinc/37/58/75/612375875.db2.gz OSNVROWIBPYJJH-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CCOCC2)C1 ZINC000953499913 612382297 /nfs/dbraw/zinc/38/22/97/612382297.db2.gz WJNBDHHNLIUJIL-INIZCTEOSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CCOCC2)C1 ZINC000953499913 612382302 /nfs/dbraw/zinc/38/23/02/612382302.db2.gz WJNBDHHNLIUJIL-INIZCTEOSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC000953880229 612386136 /nfs/dbraw/zinc/38/61/36/612386136.db2.gz JDDULNUIHGQMKA-ZBFHGGJFSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC000953880229 612386142 /nfs/dbraw/zinc/38/61/42/612386142.db2.gz JDDULNUIHGQMKA-ZBFHGGJFSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cscn2)C1 ZINC000953884270 612391553 /nfs/dbraw/zinc/39/15/53/612391553.db2.gz DXRFKSBFLIZHSI-AWEZNQCLSA-N 1 1 332.429 0.524 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cscn2)C1 ZINC000953884270 612391556 /nfs/dbraw/zinc/39/15/56/612391556.db2.gz DXRFKSBFLIZHSI-AWEZNQCLSA-N 1 1 332.429 0.524 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC000953902781 612414759 /nfs/dbraw/zinc/41/47/59/612414759.db2.gz LGNZCJRTKBUMIA-INIZCTEOSA-N 1 1 326.400 0.440 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000955339289 612458873 /nfs/dbraw/zinc/45/88/73/612458873.db2.gz YZZPVKVDBJCHJI-IMJJTQAJSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000955341634 612464434 /nfs/dbraw/zinc/46/44/34/612464434.db2.gz QUJUQMYCRYRFRS-RDJZCZTQSA-N 1 1 346.475 0.095 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2occc2C)C1 ZINC000954630357 612466955 /nfs/dbraw/zinc/46/69/55/612466955.db2.gz CUBGNCXFXXXHJH-HNNXBMFYSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2occc2C)C1 ZINC000954630357 612466958 /nfs/dbraw/zinc/46/69/58/612466958.db2.gz CUBGNCXFXXXHJH-HNNXBMFYSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CC3(CC3)C2)C1 ZINC000954630729 612467942 /nfs/dbraw/zinc/46/79/42/612467942.db2.gz HLSXNSZKHNEBNP-INIZCTEOSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CC3(CC3)C2)C1 ZINC000954630729 612467945 /nfs/dbraw/zinc/46/79/45/612467945.db2.gz HLSXNSZKHNEBNP-INIZCTEOSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)nn2C)C1 ZINC000954630648 612467982 /nfs/dbraw/zinc/46/79/82/612467982.db2.gz GFMVUVDPWWKMIT-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)nn2C)C1 ZINC000954630648 612467985 /nfs/dbraw/zinc/46/79/85/612467985.db2.gz GFMVUVDPWWKMIT-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](OC)C(C)C)C1 ZINC000954631158 612469357 /nfs/dbraw/zinc/46/93/57/612469357.db2.gz QPZKXJJHQPPSEC-HOTGVXAUSA-N 1 1 335.448 0.424 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](OC)C(C)C)C1 ZINC000954631158 612469361 /nfs/dbraw/zinc/46/93/61/612469361.db2.gz QPZKXJJHQPPSEC-HOTGVXAUSA-N 1 1 335.448 0.424 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C)nn2)C1 ZINC000954631593 612470155 /nfs/dbraw/zinc/47/01/55/612470155.db2.gz ZNJUUVITDFWJGN-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C)nn2)C1 ZINC000954631593 612470159 /nfs/dbraw/zinc/47/01/59/612470159.db2.gz ZNJUUVITDFWJGN-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000955348773 612479411 /nfs/dbraw/zinc/47/94/11/612479411.db2.gz CSVGJGSTOGHSAK-FZMZJTMJSA-N 1 1 329.404 0.367 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC000955349212 612481541 /nfs/dbraw/zinc/48/15/41/612481541.db2.gz KSZNKJUTUZWMFW-CZUORRHYSA-N 1 1 340.427 0.543 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC000955350856 612483924 /nfs/dbraw/zinc/48/39/24/612483924.db2.gz UFNPVQVHAFSREO-DYVFJYSZSA-N 1 1 340.427 0.543 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000953996036 612533545 /nfs/dbraw/zinc/53/35/45/612533545.db2.gz LHWGMOKQXZFHPM-OAHLLOKOSA-N 1 1 329.404 0.653 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC000952592698 612540332 /nfs/dbraw/zinc/54/03/32/612540332.db2.gz DRZIWJIWBAYXFA-CFVMTHIKSA-N 1 1 329.404 0.943 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)O1 ZINC000956001201 612592600 /nfs/dbraw/zinc/59/26/00/612592600.db2.gz FOKWSEHCJDOKDL-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)O1 ZINC000956001201 612592606 /nfs/dbraw/zinc/59/26/06/612592606.db2.gz FOKWSEHCJDOKDL-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(CC)n[nH]2)C1 ZINC000953772502 612606379 /nfs/dbraw/zinc/60/63/79/612606379.db2.gz CISHMUJJZVTPBD-INIZCTEOSA-N 1 1 343.431 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(CC)n[nH]2)C1 ZINC000953772502 612606385 /nfs/dbraw/zinc/60/63/85/612606385.db2.gz CISHMUJJZVTPBD-INIZCTEOSA-N 1 1 343.431 0.353 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ncccn2)C1 ZINC000951783683 612608566 /nfs/dbraw/zinc/60/85/66/612608566.db2.gz FBHYDGXVYIAUSQ-GJZGRUSLSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ncccn2)C1 ZINC000951783683 612608569 /nfs/dbraw/zinc/60/85/69/612608569.db2.gz FBHYDGXVYIAUSQ-GJZGRUSLSA-N 1 1 341.415 0.295 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956842437 612616493 /nfs/dbraw/zinc/61/64/93/612616493.db2.gz GLQNFVWQMZXICS-PXAZEXFGSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2coc(C)n2)C1 ZINC000956855506 612640022 /nfs/dbraw/zinc/64/00/22/612640022.db2.gz JXWDWKUURXNBNA-MAUKXSAKSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2coc(C)n2)C1 ZINC000956855506 612640023 /nfs/dbraw/zinc/64/00/23/612640023.db2.gz JXWDWKUURXNBNA-MAUKXSAKSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC000956042206 612642029 /nfs/dbraw/zinc/64/20/29/612642029.db2.gz KTPJWQQSARADJU-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC000956042206 612642033 /nfs/dbraw/zinc/64/20/33/612642033.db2.gz KTPJWQQSARADJU-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1nccs1 ZINC000956072757 612676693 /nfs/dbraw/zinc/67/66/93/612676693.db2.gz JUKUULZBNNHAKX-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1nccs1 ZINC000956072757 612676694 /nfs/dbraw/zinc/67/66/94/612676694.db2.gz JUKUULZBNNHAKX-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cn(C)cn1 ZINC000956073131 612677476 /nfs/dbraw/zinc/67/74/76/612677476.db2.gz OELJSRBWQWQAOB-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cn(C)cn1 ZINC000956073131 612677480 /nfs/dbraw/zinc/67/74/80/612677480.db2.gz OELJSRBWQWQAOB-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2(C)CCOCC2)C1 ZINC000954786832 612682672 /nfs/dbraw/zinc/68/26/72/612682672.db2.gz SOXOASJFJBORKI-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2(C)CCOCC2)C1 ZINC000954786832 612682675 /nfs/dbraw/zinc/68/26/75/612682675.db2.gz SOXOASJFJBORKI-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnnc(C)c2)C1 ZINC000954147571 612712365 /nfs/dbraw/zinc/71/23/65/612712365.db2.gz MUNVKVYICVKLGU-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnnc(C)c2)C1 ZINC000954147571 612712366 /nfs/dbraw/zinc/71/23/66/612712366.db2.gz MUNVKVYICVKLGU-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000956161948 612748670 /nfs/dbraw/zinc/74/86/70/612748670.db2.gz JCDCKODHBYAZFD-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000956161948 612748673 /nfs/dbraw/zinc/74/86/73/612748673.db2.gz JCDCKODHBYAZFD-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CC(OCC)C2)C1 ZINC000954208928 612767508 /nfs/dbraw/zinc/76/75/08/612767508.db2.gz FIURXBANUNKGAC-PREGVCBESA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CC(OCC)C2)C1 ZINC000954208928 612767511 /nfs/dbraw/zinc/76/75/11/612767511.db2.gz FIURXBANUNKGAC-PREGVCBESA-N 1 1 347.459 0.568 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000954912317 612781723 /nfs/dbraw/zinc/78/17/23/612781723.db2.gz HUNYFMLLZMSGGU-SUMWQHHRSA-N 1 1 340.427 0.543 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000954307853 612840034 /nfs/dbraw/zinc/84/00/34/612840034.db2.gz GZMFACRISAMJSJ-ZDUSSCGKSA-N 1 1 346.435 0.089 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2ncc[nH]2)CC1 ZINC000956366621 612858842 /nfs/dbraw/zinc/85/88/42/612858842.db2.gz WRTXCXXEZBXSHX-AWEZNQCLSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2ncc[nH]2)CC1 ZINC000956366621 612858844 /nfs/dbraw/zinc/85/88/44/612858844.db2.gz WRTXCXXEZBXSHX-AWEZNQCLSA-N 1 1 343.431 0.618 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000954408032 612895949 /nfs/dbraw/zinc/89/59/49/612895949.db2.gz VOWVYDLNMLWIKS-IAQYHMDHSA-N 1 1 329.404 0.509 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccc[nH]2)C1 ZINC000956702550 612934772 /nfs/dbraw/zinc/93/47/72/612934772.db2.gz KFLPQWGLBNSZHI-MAUKXSAKSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccc[nH]2)C1 ZINC000956702550 612934773 /nfs/dbraw/zinc/93/47/73/612934773.db2.gz KFLPQWGLBNSZHI-MAUKXSAKSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cn[nH]c2)C1 ZINC000956723261 612937559 /nfs/dbraw/zinc/93/75/59/612937559.db2.gz KCIPLTWCBIAIFL-YOEHRIQHSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cn[nH]c2)C1 ZINC000956723261 612937560 /nfs/dbraw/zinc/93/75/60/612937560.db2.gz KCIPLTWCBIAIFL-YOEHRIQHSA-N 1 1 329.404 0.228 20 30 ECEDMO CCOC(=O)c1cc(C)nc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C#N ZINC001164666910 719383417 /nfs/dbraw/zinc/38/34/17/719383417.db2.gz MCCZUWZWXGDZDU-HUUCEWRRSA-N 1 1 330.388 0.958 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C)ncc3C#N)CC[C@H]2C1 ZINC001164851867 720848363 /nfs/dbraw/zinc/84/83/63/720848363.db2.gz IILIRKXZQKTPKP-GOEBONIOSA-N 1 1 331.420 0.830 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C)nc(C#N)n3)CC[C@H]2C1 ZINC001164858910 720860147 /nfs/dbraw/zinc/86/01/47/720860147.db2.gz SRQBKSSHOBMSCY-LSDHHAIUSA-N 1 1 331.420 0.830 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C#N)nc3C)CC[C@@H]2C1 ZINC001164861587 720869669 /nfs/dbraw/zinc/86/96/69/720869669.db2.gz XYOFBVGVDLLBNU-ZBFHGGJFSA-N 1 1 331.420 0.830 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1C(C)=O ZINC001039471635 735334137 /nfs/dbraw/zinc/33/41/37/735334137.db2.gz GSUARPQWTKPVQU-IKGGRYGDSA-N 1 1 333.432 0.322 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC001098560848 735430155 /nfs/dbraw/zinc/43/01/55/735430155.db2.gz DWOVABFEHIXSAE-UHFFFAOYSA-N 1 1 348.447 0.524 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3csnn3)C2)C1=O ZINC000972025490 735522400 /nfs/dbraw/zinc/52/24/00/735522400.db2.gz SIIKOUSRRWZHBO-WCQYABFASA-N 1 1 335.433 0.471 20 30 ECEDMO C[C@@H](CNc1ncc(C#N)cc1F)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104539330 738444491 /nfs/dbraw/zinc/44/44/91/738444491.db2.gz YNKWMITZQZNKFI-FZMZJTMJSA-N 1 1 335.383 0.682 20 30 ECEDMO C[C@@H](CNc1ncc(C#N)cc1F)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104539330 738444495 /nfs/dbraw/zinc/44/44/95/738444495.db2.gz YNKWMITZQZNKFI-FZMZJTMJSA-N 1 1 335.383 0.682 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069974505 790266587 /nfs/dbraw/zinc/26/65/87/790266587.db2.gz BDMCTPAESIIJRT-CABCVRRESA-N 1 1 329.408 0.319 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069974505 790266589 /nfs/dbraw/zinc/26/65/89/790266589.db2.gz BDMCTPAESIIJRT-CABCVRRESA-N 1 1 329.408 0.319 20 30 ECEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000969151218 731526988 /nfs/dbraw/zinc/52/69/88/731526988.db2.gz UDRGVEAHHVRFES-KBPBESRZSA-N 1 1 329.466 0.615 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)c2oncc2C)CC1 ZINC001098520844 731566307 /nfs/dbraw/zinc/56/63/07/731566307.db2.gz GRZQZXSSFKUPSD-UHFFFAOYSA-N 1 1 335.404 0.532 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)cn1 ZINC001041794892 782224041 /nfs/dbraw/zinc/22/40/41/782224041.db2.gz XQGYNBVVBSZQMM-APWZRJJASA-N 1 1 338.411 0.489 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccncc3)C2)C1=O ZINC000969210323 731604292 /nfs/dbraw/zinc/60/42/92/731604292.db2.gz QRRZYZIQJWISPG-CJNGLKHVSA-N 1 1 328.416 0.919 20 30 ECEDMO CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001041795476 782226253 /nfs/dbraw/zinc/22/62/53/782226253.db2.gz YHGLKOFONMSBDW-YUELXQCFSA-N 1 1 342.447 0.946 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cnsn3)C2)C1=O ZINC000969346378 731746645 /nfs/dbraw/zinc/74/66/45/731746645.db2.gz PXFRBCWHVORVFT-ZWNOBZJWSA-N 1 1 335.433 0.375 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973007208 738536707 /nfs/dbraw/zinc/53/67/07/738536707.db2.gz WAVHKIZAMKNWOM-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000969403149 731807242 /nfs/dbraw/zinc/80/72/42/731807242.db2.gz ZKMSPJOWYKUGIX-ABAIWWIYSA-N 1 1 331.420 0.555 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000969411002 731820314 /nfs/dbraw/zinc/82/03/14/731820314.db2.gz WUSYWJAACMMWBF-BDJLRTHQSA-N 1 1 344.390 0.912 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCCC(=O)N3)[C@H]2C1 ZINC001083190434 731901021 /nfs/dbraw/zinc/90/10/21/731901021.db2.gz LCPGEGIVUKTPKZ-OWCLPIDISA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ocnc3C)C2)C1=O ZINC000969457331 731902995 /nfs/dbraw/zinc/90/29/95/731902995.db2.gz XAWSLBSEIONLTD-BXUZGUMPSA-N 1 1 332.404 0.820 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000969507015 731932986 /nfs/dbraw/zinc/93/29/86/731932986.db2.gz WVXBJKATZXKYRT-NSHDSACASA-N 1 1 329.404 0.557 20 30 ECEDMO CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000969525721 731948351 /nfs/dbraw/zinc/94/83/51/731948351.db2.gz DJAFQEHABZVHBP-ABAIWWIYSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(CC)n1 ZINC001114984498 732025972 /nfs/dbraw/zinc/02/59/72/732025972.db2.gz HCMBQGVFLQDHNO-VIKVFOODSA-N 1 1 332.404 0.126 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)c2ccc(OC)nn2)CC1 ZINC001098524501 732068258 /nfs/dbraw/zinc/06/82/58/732068258.db2.gz LDSFNVODOGTMCL-UHFFFAOYSA-N 1 1 332.404 0.407 20 30 ECEDMO CC1(C)C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973048067 738584297 /nfs/dbraw/zinc/58/42/97/738584297.db2.gz OKLIKKWBGSEOMR-CQSZACIVSA-N 1 1 344.419 0.352 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969787102 732347819 /nfs/dbraw/zinc/34/78/19/732347819.db2.gz BGUNIGFIPYVLJP-WBVHZDCISA-N 1 1 339.439 0.953 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(c3ccccc3)CCCO2)C1 ZINC001078075686 782260156 /nfs/dbraw/zinc/26/01/56/782260156.db2.gz ZTFMNRMRNJHPSA-ZHALLVOQSA-N 1 1 328.412 0.877 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)CC1 ZINC001098526662 732551700 /nfs/dbraw/zinc/55/17/00/732551700.db2.gz NKMPXWNZLIPQLZ-IBGZPJMESA-N 1 1 349.475 0.554 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000970048540 732673956 /nfs/dbraw/zinc/67/39/56/732673956.db2.gz UNNMFYBAKZPGCE-JTQLQIEISA-N 1 1 325.390 0.000 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001078082841 782274816 /nfs/dbraw/zinc/27/48/16/782274816.db2.gz WXLCTSZBMYOFBJ-BMGDILEWSA-N 1 1 328.412 0.408 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001078082610 782275054 /nfs/dbraw/zinc/27/50/54/782275054.db2.gz PWKDGPBLNVXCGR-RTBURBONSA-N 1 1 342.439 0.798 20 30 ECEDMO CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001125319571 732936569 /nfs/dbraw/zinc/93/65/69/732936569.db2.gz ACLTZTVSHNZRRW-OAHLLOKOSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCCN(C)C2=O)CC1 ZINC001098530956 733029144 /nfs/dbraw/zinc/02/91/44/733029144.db2.gz VZTUZUIDGGNJEQ-INIZCTEOSA-N 1 1 335.448 0.163 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(N)=O ZINC001087363403 738679082 /nfs/dbraw/zinc/67/90/82/738679082.db2.gz HZOBXRLSDYAIII-JJXSEGSLSA-N 1 1 342.443 0.942 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3csnn3)C2)C1=O ZINC000970224919 733235684 /nfs/dbraw/zinc/23/56/84/733235684.db2.gz BGCISUQMXUVQBM-ZWNOBZJWSA-N 1 1 335.433 0.375 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cnc(C)n3C)C2)C1=O ZINC000970332180 733357489 /nfs/dbraw/zinc/35/74/89/733357489.db2.gz REZUQLGZZHZWMG-SWLSCSKDSA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970353930 733403519 /nfs/dbraw/zinc/40/35/19/733403519.db2.gz ISGLBARFFYVYTE-ZUZCIYMTSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000970355351 733405235 /nfs/dbraw/zinc/40/52/35/733405235.db2.gz YTBXHYZZXJVULB-ZUZCIYMTSA-N 1 1 345.378 0.315 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3n[nH]cc3F)C2)C1=O ZINC000970386265 733454967 /nfs/dbraw/zinc/45/49/67/733454967.db2.gz ZJYUEBHYEDQUEV-GWCFXTLKSA-N 1 1 335.383 0.386 20 30 ECEDMO C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC000970420748 733492967 /nfs/dbraw/zinc/49/29/67/733492967.db2.gz RNMXDCWRUMHVTH-CWRNSKLLSA-N 1 1 333.432 0.226 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)C[C@H](C)O)CC2)nc1 ZINC001098536929 733517281 /nfs/dbraw/zinc/51/72/81/733517281.db2.gz TXMAJFBPZCPLCJ-AWEZNQCLSA-N 1 1 331.416 0.343 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(Cl)nc3ccccn32)C1 ZINC001078132824 782351094 /nfs/dbraw/zinc/35/10/94/782351094.db2.gz KGUCCKJKYDQGOR-VXGBXAGGSA-N 1 1 332.791 0.786 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H](C)C(N)=O)C2)cc1 ZINC000970538064 733656340 /nfs/dbraw/zinc/65/63/40/733656340.db2.gz KKDBVEUYOWBHHQ-CHWSQXEVSA-N 1 1 329.400 0.623 20 30 ECEDMO C#CCCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000289180602 733700458 /nfs/dbraw/zinc/70/04/58/733700458.db2.gz NGUXEIGJBSBADB-DLBZAZTESA-N 1 1 336.457 0.812 20 30 ECEDMO C#CCCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000289180602 733700461 /nfs/dbraw/zinc/70/04/61/733700461.db2.gz NGUXEIGJBSBADB-DLBZAZTESA-N 1 1 336.457 0.812 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000973103597 738743252 /nfs/dbraw/zinc/74/32/52/738743252.db2.gz OIYREYCAPWGKOI-BZUAXINKSA-N 1 1 326.400 0.534 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC000970601114 733724596 /nfs/dbraw/zinc/72/45/96/733724596.db2.gz VQCHSWPHJYWPOR-IAQYHMDHSA-N 1 1 345.447 0.864 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H](C)C1C[NH+]([C@H](CC)C(N)=O)C1 ZINC000970715078 733864528 /nfs/dbraw/zinc/86/45/28/733864528.db2.gz WVNCUQVTIUSWLQ-GXTWGEPZSA-N 1 1 346.431 0.960 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCCC3)C2)cn1 ZINC000970752924 733912547 /nfs/dbraw/zinc/91/25/47/733912547.db2.gz DEFBMICVWGTUCP-AWEZNQCLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC000970767040 733924814 /nfs/dbraw/zinc/92/48/14/733924814.db2.gz OUYQXPGAMQHYOL-WBMJQRKESA-N 1 1 326.400 0.344 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2ccon2)C1 ZINC000973111217 738772470 /nfs/dbraw/zinc/77/24/70/738772470.db2.gz ROGOKMCKDFDSAJ-KKUMJFAQSA-N 1 1 330.388 0.078 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2ccon2)C1 ZINC000973111217 738772473 /nfs/dbraw/zinc/77/24/73/738772473.db2.gz ROGOKMCKDFDSAJ-KKUMJFAQSA-N 1 1 330.388 0.078 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC000970836985 734001537 /nfs/dbraw/zinc/00/15/37/734001537.db2.gz CRPJREBITOUSOG-WFASDCNBSA-N 1 1 344.415 0.624 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3nn(C)c(C)c3Cl)[C@H]2C1 ZINC001083209479 734139178 /nfs/dbraw/zinc/13/91/78/734139178.db2.gz IGELDMSLXDWJTF-QWHCGFSZSA-N 1 1 336.823 0.930 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3nn(C)c(C)c3Cl)[C@H]2C1 ZINC001083209479 734139180 /nfs/dbraw/zinc/13/91/80/734139180.db2.gz IGELDMSLXDWJTF-QWHCGFSZSA-N 1 1 336.823 0.930 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(F)F)[C@@H]2C1 ZINC000971001901 734163177 /nfs/dbraw/zinc/16/31/77/734163177.db2.gz SPXREXRNZBJMRG-FRRDWIJNSA-N 1 1 325.359 0.408 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(F)F)[C@@H]2C1 ZINC000971001901 734163178 /nfs/dbraw/zinc/16/31/78/734163178.db2.gz SPXREXRNZBJMRG-FRRDWIJNSA-N 1 1 325.359 0.408 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971045534 734206323 /nfs/dbraw/zinc/20/63/23/734206323.db2.gz NAGWKSOPRAAXRE-CQSZACIVSA-N 1 1 343.366 0.417 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971045534 734206325 /nfs/dbraw/zinc/20/63/25/734206325.db2.gz NAGWKSOPRAAXRE-CQSZACIVSA-N 1 1 343.366 0.417 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cnn(C)c3C)C2)C1=O ZINC000971084076 734245144 /nfs/dbraw/zinc/24/51/44/734245144.db2.gz SCGMTLAPZBDYQH-ZBFHGGJFSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](CCCC)C(N)=O)C[C@H]32)nn1 ZINC001114943175 734257859 /nfs/dbraw/zinc/25/78/59/734257859.db2.gz UKEULUIPZOVVPR-MYZSUADSSA-N 1 1 346.435 0.168 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104318694 734285273 /nfs/dbraw/zinc/28/52/73/734285273.db2.gz PVCMRMMBITYUPX-INIZCTEOSA-N 1 1 340.387 0.480 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C2)C1=O ZINC000971197636 734353443 /nfs/dbraw/zinc/35/34/43/734353443.db2.gz KWXYHMFYNSIOTD-HZPDHXFCSA-N 1 1 345.447 0.282 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000971356272 734468832 /nfs/dbraw/zinc/46/88/32/734468832.db2.gz LCZNHPGQBHNSNC-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363879 734476097 /nfs/dbraw/zinc/47/60/97/734476097.db2.gz KHENGMFTEIAPMQ-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973141063 738819122 /nfs/dbraw/zinc/81/91/22/738819122.db2.gz FYZRMJQDMJUEQQ-ZRJCITRHSA-N 1 1 329.404 0.461 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3ccc(C#N)cn3)CCO2)C1 ZINC001104349452 734519681 /nfs/dbraw/zinc/51/96/81/734519681.db2.gz GQPNXLAGNQJOLD-HOCLYGCPSA-N 1 1 343.431 0.616 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 ZINC001104349482 734520262 /nfs/dbraw/zinc/52/02/62/734520262.db2.gz HGYFPTWWTOIRAF-ZIAGYGMSSA-N 1 1 344.419 0.154 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 ZINC001104349573 734521637 /nfs/dbraw/zinc/52/16/37/734521637.db2.gz ILCNBDPLSVHVII-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3nccnc3C#N)CCO2)C1 ZINC001104350537 734527941 /nfs/dbraw/zinc/52/79/41/734527941.db2.gz ZAMLOSIDOTXNFM-KBPBESRZSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](C)O)C[C@@H]32)cc1 ZINC001083217270 734535327 /nfs/dbraw/zinc/53/53/27/734535327.db2.gz QJLMLLVYMBHHPL-JCGIZDLHSA-N 1 1 344.411 0.605 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC000971686664 734951644 /nfs/dbraw/zinc/95/16/44/734951644.db2.gz DGWVXTNXSAMGHO-ZIAGYGMSSA-N 1 1 344.415 0.626 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000971703106 734964369 /nfs/dbraw/zinc/96/43/69/734964369.db2.gz WRXAEEPKPYGVRW-VNQPRFMTSA-N 1 1 341.415 0.653 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000973181464 738873116 /nfs/dbraw/zinc/87/31/16/738873116.db2.gz UWFWUPCUISBPLU-UBHSHLNASA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC001098556731 735103247 /nfs/dbraw/zinc/10/32/47/735103247.db2.gz YSFKMFJDCHTFDO-UHFFFAOYSA-N 1 1 335.448 0.308 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3nc4ncccn4n3)[C@H]2C1 ZINC001083226681 735146773 /nfs/dbraw/zinc/14/67/73/735146773.db2.gz QEEWPRJXCRZPTA-QWHCGFSZSA-N 1 1 328.376 0.226 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3nc4ncccn4n3)[C@H]2C1 ZINC001083226681 735146777 /nfs/dbraw/zinc/14/67/77/735146777.db2.gz QEEWPRJXCRZPTA-QWHCGFSZSA-N 1 1 328.376 0.226 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)Nc2ccncc2C#N)C1 ZINC001098215070 735212267 /nfs/dbraw/zinc/21/22/67/735212267.db2.gz FWABUGVKQWZTSJ-BBRMVZONSA-N 1 1 331.420 0.401 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCNC3=O)C2)cc1 ZINC000972059018 735591696 /nfs/dbraw/zinc/59/16/96/735591696.db2.gz ODQWLJFAPXTVAB-QGZVFWFLSA-N 1 1 340.427 0.839 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000972077863 735617191 /nfs/dbraw/zinc/61/71/91/735617191.db2.gz ALNATVGBRXXPEF-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000972077863 735617196 /nfs/dbraw/zinc/61/71/96/735617196.db2.gz ALNATVGBRXXPEF-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972078670 735618844 /nfs/dbraw/zinc/61/88/44/735618844.db2.gz IUAXOVKTCJTIJG-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000972111945 735655259 /nfs/dbraw/zinc/65/52/59/735655259.db2.gz JBJBOKNASHSVJK-ZDUSSCGKSA-N 1 1 343.366 0.567 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@@H](n2ccnn2)C1 ZINC001069988579 790282298 /nfs/dbraw/zinc/28/22/98/790282298.db2.gz ZPCCFXMKQXUJEL-ZBFHGGJFSA-N 1 1 341.419 0.734 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@@H](n2ccnn2)C1 ZINC001069988579 790282302 /nfs/dbraw/zinc/28/23/02/790282302.db2.gz ZPCCFXMKQXUJEL-ZBFHGGJFSA-N 1 1 341.419 0.734 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)c2ccnc(C)n2)CC1 ZINC001098564175 735674038 /nfs/dbraw/zinc/67/40/38/735674038.db2.gz PPVSKWXAIBCPCH-UHFFFAOYSA-N 1 1 346.431 0.334 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000972193987 735771262 /nfs/dbraw/zinc/77/12/62/735771262.db2.gz XJZZCWCNTXOZJV-OAHLLOKOSA-N 1 1 337.383 0.988 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 ZINC001098566587 735841239 /nfs/dbraw/zinc/84/12/39/735841239.db2.gz CQPJMKBGZBPYPR-AWEZNQCLSA-N 1 1 347.415 0.316 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001058908689 751361378 /nfs/dbraw/zinc/36/13/78/751361378.db2.gz BIYXYCVXJSVNJR-GXTWGEPZSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001058908689 751361383 /nfs/dbraw/zinc/36/13/83/751361383.db2.gz BIYXYCVXJSVNJR-GXTWGEPZSA-N 1 1 330.392 0.082 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCC(C(=O)N(C)C)CC3)[C@H]2C1 ZINC001083245968 735852567 /nfs/dbraw/zinc/85/25/67/735852567.db2.gz RVSCAAMQFRGNCQ-SJJHQCBESA-N 1 1 349.475 0.979 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCC(C(=O)N(C)C)CC3)[C@H]2C1 ZINC001083245968 735852574 /nfs/dbraw/zinc/85/25/74/735852574.db2.gz RVSCAAMQFRGNCQ-SJJHQCBESA-N 1 1 349.475 0.979 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCN(CC)C3=O)C2)c1 ZINC000972293098 735900825 /nfs/dbraw/zinc/90/08/25/735900825.db2.gz ZZCBDEJBIYFJBU-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC000972316529 735935165 /nfs/dbraw/zinc/93/51/65/735935165.db2.gz GBINCELORCVGFV-OAGGEKHMSA-N 1 1 335.448 0.875 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380613 736049085 /nfs/dbraw/zinc/04/90/85/736049085.db2.gz HTWHXYKLZJZKMT-QGZVFWFLSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380613 736049088 /nfs/dbraw/zinc/04/90/88/736049088.db2.gz HTWHXYKLZJZKMT-QGZVFWFLSA-N 1 1 330.388 0.425 20 30 ECEDMO COC(=O)[C@H](CS)Nc1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC001167623411 736125384 /nfs/dbraw/zinc/12/53/84/736125384.db2.gz ORNIYOYKKIFKHU-AWEZNQCLSA-N 1 1 337.445 0.958 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3ccccc3=O)C2)C1 ZINC000972409615 736141747 /nfs/dbraw/zinc/14/17/47/736141747.db2.gz RJKZPJBRICRLBX-IBGZPJMESA-N 1 1 343.427 0.565 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3ccccc3=O)C2)C1 ZINC000972409615 736141750 /nfs/dbraw/zinc/14/17/50/736141750.db2.gz RJKZPJBRICRLBX-IBGZPJMESA-N 1 1 343.427 0.565 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 ZINC000972411376 736146423 /nfs/dbraw/zinc/14/64/23/736146423.db2.gz ZGSABUPKSIBVHD-YJBOKZPZSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 ZINC000972411376 736146424 /nfs/dbraw/zinc/14/64/24/736146424.db2.gz ZGSABUPKSIBVHD-YJBOKZPZSA-N 1 1 333.432 0.229 20 30 ECEDMO N#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000972411059 736148444 /nfs/dbraw/zinc/14/84/44/736148444.db2.gz WHNABUZWFVUTNT-YOEHRIQHSA-N 1 1 329.404 0.587 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CC(=C)C)CCO2 ZINC000972416871 736154715 /nfs/dbraw/zinc/15/47/15/736154715.db2.gz LHDXXQVJLUXAHT-HKUYNNGSSA-N 1 1 331.460 0.963 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CC(=C)C)CCO2 ZINC000972416871 736154716 /nfs/dbraw/zinc/15/47/16/736154716.db2.gz LHDXXQVJLUXAHT-HKUYNNGSSA-N 1 1 331.460 0.963 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972439605 736197212 /nfs/dbraw/zinc/19/72/12/736197212.db2.gz WRKUGCBOXSYORD-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972439605 736197215 /nfs/dbraw/zinc/19/72/15/736197215.db2.gz WRKUGCBOXSYORD-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ncnn43)C2)C1 ZINC000972453766 736237503 /nfs/dbraw/zinc/23/75/03/736237503.db2.gz PUOYHHOPKNIKCC-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ncnn43)C2)C1 ZINC000972453766 736237505 /nfs/dbraw/zinc/23/75/05/736237505.db2.gz PUOYHHOPKNIKCC-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972459293 736250357 /nfs/dbraw/zinc/25/03/57/736250357.db2.gz SMOSYWDKBPDMOL-KRWDZBQOSA-N 1 1 333.388 0.872 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972459293 736250361 /nfs/dbraw/zinc/25/03/61/736250361.db2.gz SMOSYWDKBPDMOL-KRWDZBQOSA-N 1 1 333.388 0.872 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 ZINC000972458854 736253196 /nfs/dbraw/zinc/25/31/96/736253196.db2.gz OLHOSSRDCBMDGX-YJBOKZPZSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972463779 736261235 /nfs/dbraw/zinc/26/12/35/736261235.db2.gz XHKCTERLDJVANE-KRWDZBQOSA-N 1 1 340.387 0.065 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972463779 736261237 /nfs/dbraw/zinc/26/12/37/736261237.db2.gz XHKCTERLDJVANE-KRWDZBQOSA-N 1 1 340.387 0.065 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)C1 ZINC000972470779 736278272 /nfs/dbraw/zinc/27/82/72/736278272.db2.gz YIYXIRYWXLOGJO-SFHVURJKSA-N 1 1 329.400 0.656 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)C1 ZINC000972470779 736278276 /nfs/dbraw/zinc/27/82/76/736278276.db2.gz YIYXIRYWXLOGJO-SFHVURJKSA-N 1 1 329.400 0.656 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC000972472563 736283958 /nfs/dbraw/zinc/28/39/58/736283958.db2.gz ZKEPAKVCOZWQJX-QGZVFWFLSA-N 1 1 332.404 0.273 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(C)c3C)C2)C1 ZINC000972483864 736319534 /nfs/dbraw/zinc/31/95/34/736319534.db2.gz KLTIMMYZFZWHKQ-GOSISDBHSA-N 1 1 330.432 0.977 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(C)c3C)C2)C1 ZINC000972483864 736319539 /nfs/dbraw/zinc/31/95/39/736319539.db2.gz KLTIMMYZFZWHKQ-GOSISDBHSA-N 1 1 330.432 0.977 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972492178 736377246 /nfs/dbraw/zinc/37/72/46/736377246.db2.gz IKDHPTNWLBIPNA-QGZVFWFLSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972492178 736377248 /nfs/dbraw/zinc/37/72/48/736377248.db2.gz IKDHPTNWLBIPNA-QGZVFWFLSA-N 1 1 332.404 0.902 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972494310 736393171 /nfs/dbraw/zinc/39/31/71/736393171.db2.gz PSTMAZHVCPCGKI-QGZVFWFLSA-N 1 1 340.387 0.065 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972494310 736393174 /nfs/dbraw/zinc/39/31/74/736393174.db2.gz PSTMAZHVCPCGKI-QGZVFWFLSA-N 1 1 340.387 0.065 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001111491419 736407160 /nfs/dbraw/zinc/40/71/60/736407160.db2.gz ZMAKLLFXLYNOHP-TUVASFSCSA-N 1 1 336.436 0.324 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3cn[nH]c3)C2)C1=O ZINC000972511355 736494035 /nfs/dbraw/zinc/49/40/35/736494035.db2.gz WCURYHAWSHFTAR-HOTGVXAUSA-N 1 1 345.447 0.662 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513040 736504934 /nfs/dbraw/zinc/50/49/34/736504934.db2.gz DCCBORFWZQHXDR-MSOLQXFVSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513040 736504937 /nfs/dbraw/zinc/50/49/37/736504937.db2.gz DCCBORFWZQHXDR-MSOLQXFVSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 ZINC000972514880 736513793 /nfs/dbraw/zinc/51/37/93/736513793.db2.gz QQHYWFHBRSKWHG-QZTJIDSGSA-N 1 1 335.448 0.782 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001023296407 736656015 /nfs/dbraw/zinc/65/60/15/736656015.db2.gz WWSMFJHEVUMNFA-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](CCn3cncn3)C2)c1 ZINC001023297511 736660099 /nfs/dbraw/zinc/66/00/99/736660099.db2.gz LEKSZDXFBCXLSZ-ZDUSSCGKSA-N 1 1 327.392 0.620 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 ZINC000972547079 736667260 /nfs/dbraw/zinc/66/72/60/736667260.db2.gz VBEFPSJPTMGPFG-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 ZINC000972547079 736667261 /nfs/dbraw/zinc/66/72/61/736667261.db2.gz VBEFPSJPTMGPFG-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](CCn3cncn3)C2)c[nH]1 ZINC001023319995 736680435 /nfs/dbraw/zinc/68/04/35/736680435.db2.gz MTMOZIYYZMUREW-ZDUSSCGKSA-N 1 1 327.392 0.620 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000981967373 751373982 /nfs/dbraw/zinc/37/39/82/751373982.db2.gz VBVDCEFUOQSJAY-HNNXBMFYSA-N 1 1 341.459 0.868 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001023410037 736790100 /nfs/dbraw/zinc/79/01/00/736790100.db2.gz MJKNRWGRLZSSJV-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001023410037 736790102 /nfs/dbraw/zinc/79/01/02/736790102.db2.gz MJKNRWGRLZSSJV-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001023411367 736795050 /nfs/dbraw/zinc/79/50/50/736795050.db2.gz DKKHRASTGMSJMO-DOTOQJQBSA-N 1 1 334.464 0.982 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001023424111 736806674 /nfs/dbraw/zinc/80/66/74/736806674.db2.gz OGNWXRBJNWNBNL-AEFFLSMTSA-N 1 1 343.475 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2nonc2C)C1 ZINC001023424049 736806743 /nfs/dbraw/zinc/80/67/43/736806743.db2.gz MWEWULKASNBJQN-WBVHZDCISA-N 1 1 345.447 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2nonc2C)C1 ZINC001023424049 736806745 /nfs/dbraw/zinc/80/67/45/736806745.db2.gz MWEWULKASNBJQN-WBVHZDCISA-N 1 1 345.447 0.804 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023449541 736847990 /nfs/dbraw/zinc/84/79/90/736847990.db2.gz RVWCWNIVPCKICN-UONOGXRCSA-N 1 1 331.420 0.398 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001006430460 751380388 /nfs/dbraw/zinc/38/03/88/751380388.db2.gz XYBQCOLHWRZODD-HNNXBMFYSA-N 1 1 343.855 0.909 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC001023543459 736986879 /nfs/dbraw/zinc/98/68/79/736986879.db2.gz MFPFIXIYLLUPIJ-HNNXBMFYSA-N 1 1 339.403 0.724 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001023547305 736990183 /nfs/dbraw/zinc/99/01/83/736990183.db2.gz IXSDOBFULTYBFP-NRKLIOEPSA-N 1 1 347.459 0.494 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@@H](C)O)CCO3)nn1 ZINC000972589334 736997581 /nfs/dbraw/zinc/99/75/81/736997581.db2.gz HEGCINRQPRWDBK-PBHICJAKSA-N 1 1 349.435 0.152 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@@H](C)O)CCO3)nn1 ZINC000972589334 736997585 /nfs/dbraw/zinc/99/75/85/736997585.db2.gz HEGCINRQPRWDBK-PBHICJAKSA-N 1 1 349.435 0.152 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001023564219 737013572 /nfs/dbraw/zinc/01/35/72/737013572.db2.gz IKTAMHMWADUYJF-HZPDHXFCSA-N 1 1 341.415 0.568 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+](CCS(C)(=O)=O)C2)c1 ZINC001023583054 737039510 /nfs/dbraw/zinc/03/95/10/737039510.db2.gz WQPPQYAVXUXDSX-OAHLLOKOSA-N 1 1 349.456 0.549 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+](CCS(C)(=O)=O)C2)c1 ZINC001023583054 737039515 /nfs/dbraw/zinc/03/95/15/737039515.db2.gz WQPPQYAVXUXDSX-OAHLLOKOSA-N 1 1 349.456 0.549 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)c1 ZINC001023583472 737040095 /nfs/dbraw/zinc/04/00/95/737040095.db2.gz IFSKZHZQTYBPOF-HNNXBMFYSA-N 1 1 328.416 0.593 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)N3CCOCC3)C2)C1 ZINC000972598580 737048278 /nfs/dbraw/zinc/04/82/78/737048278.db2.gz GZFJWTQQCAGTEM-LJQANCHMSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)N3CCOCC3)C2)C1 ZINC000972598580 737048281 /nfs/dbraw/zinc/04/82/81/737048281.db2.gz GZFJWTQQCAGTEM-LJQANCHMSA-N 1 1 349.475 0.424 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccn(CC)n2)C1=O ZINC001028179467 751381888 /nfs/dbraw/zinc/38/18/88/751381888.db2.gz FLIPITOMCJBGQA-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccn(CC)n2)C1=O ZINC001028179467 751381891 /nfs/dbraw/zinc/38/18/91/751381891.db2.gz FLIPITOMCJBGQA-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972607123 737085735 /nfs/dbraw/zinc/08/57/35/737085735.db2.gz NPQDJFCFTJWADE-MRXNPFEDSA-N 1 1 339.403 0.668 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC000972616938 737104653 /nfs/dbraw/zinc/10/46/53/737104653.db2.gz KBRBLKSWPTZWDE-GOSISDBHSA-N 1 1 346.431 0.513 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NC)C2)cc1 ZINC001023634760 737119962 /nfs/dbraw/zinc/11/99/62/737119962.db2.gz QMWRDAAVNTVXJW-OAHLLOKOSA-N 1 1 343.427 0.886 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001023637310 737123817 /nfs/dbraw/zinc/12/38/17/737123817.db2.gz HTPFNZNQKNDPRT-VYDXJSESSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001023637819 737124051 /nfs/dbraw/zinc/12/40/51/737124051.db2.gz SQBUDTLJLLLQAI-ZFWWWQNUSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnon3)C2)C1=O ZINC001023659460 737158703 /nfs/dbraw/zinc/15/87/03/737158703.db2.gz BWKVZOBVORHUSX-JSGCOSHPSA-N 1 1 333.392 0.298 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cccnn3)C2)C1=O ZINC001023667891 737166833 /nfs/dbraw/zinc/16/68/33/737166833.db2.gz LCFQAOVPOKHQDJ-ZBFHGGJFSA-N 1 1 343.431 0.705 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC001023710810 737218722 /nfs/dbraw/zinc/21/87/22/737218722.db2.gz RJDPMYGKXFYURA-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC001023710814 737218840 /nfs/dbraw/zinc/21/88/40/737218840.db2.gz RJDPMYGKXFYURA-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N(C)C)C2)nc1 ZINC001023709562 737228036 /nfs/dbraw/zinc/22/80/36/737228036.db2.gz WMRNWTPYRCUDCP-OAHLLOKOSA-N 1 1 328.416 0.593 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001023710133 737228656 /nfs/dbraw/zinc/22/86/56/737228656.db2.gz IIRVTELARJPSAY-WMLDXEAASA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@@H](C)O)CCO3)nc1 ZINC000972644541 737233365 /nfs/dbraw/zinc/23/33/65/737233365.db2.gz ZAVRACMIJJEBOM-RDTXWAMCSA-N 1 1 329.400 0.361 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@@H](C)O)CCO3)nc1 ZINC000972644541 737233366 /nfs/dbraw/zinc/23/33/66/737233366.db2.gz ZAVRACMIJJEBOM-RDTXWAMCSA-N 1 1 329.400 0.361 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC000972666403 737296785 /nfs/dbraw/zinc/29/67/85/737296785.db2.gz DGXANKSNZNRZNZ-SFHVURJKSA-N 1 1 348.447 0.104 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC000972666403 737296787 /nfs/dbraw/zinc/29/67/87/737296787.db2.gz DGXANKSNZNRZNZ-SFHVURJKSA-N 1 1 348.447 0.104 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023753381 737298909 /nfs/dbraw/zinc/29/89/09/737298909.db2.gz DVEISIDWMCJGGN-VXGBXAGGSA-N 1 1 335.857 0.259 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023753381 737298911 /nfs/dbraw/zinc/29/89/11/737298911.db2.gz DVEISIDWMCJGGN-VXGBXAGGSA-N 1 1 335.857 0.259 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3nocc3C)C2)C1=O ZINC000972675799 737348978 /nfs/dbraw/zinc/34/89/78/737348978.db2.gz GEIQYVCKPVGRNY-ZIAGYGMSSA-N 1 1 332.404 0.916 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(OC)ncnc2OC)C1 ZINC001023776246 737356594 /nfs/dbraw/zinc/35/65/94/737356594.db2.gz UCORUAHRMPXDMS-ZDUSSCGKSA-N 1 1 332.404 0.959 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3nonc3C)C2)C1=O ZINC001023776098 737356711 /nfs/dbraw/zinc/35/67/11/737356711.db2.gz QGOXPTYXLLARJG-ZIAGYGMSSA-N 1 1 347.419 0.607 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972692507 737398721 /nfs/dbraw/zinc/39/87/21/737398721.db2.gz PVHJBFWETYMJJH-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972692507 737398725 /nfs/dbraw/zinc/39/87/25/737398725.db2.gz PVHJBFWETYMJJH-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972696938 737410188 /nfs/dbraw/zinc/41/01/88/737410188.db2.gz QXYIVBLYDNFXKH-SFHVURJKSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972696938 737410191 /nfs/dbraw/zinc/41/01/91/737410191.db2.gz QXYIVBLYDNFXKH-SFHVURJKSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)C1 ZINC000972704036 737495780 /nfs/dbraw/zinc/49/57/80/737495780.db2.gz YCDNZEHHYGWFHI-QAPCUYQASA-N 1 1 330.432 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)C1 ZINC000972704036 737495783 /nfs/dbraw/zinc/49/57/83/737495783.db2.gz YCDNZEHHYGWFHI-QAPCUYQASA-N 1 1 330.432 0.850 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972705407 737507232 /nfs/dbraw/zinc/50/72/32/737507232.db2.gz XFEOZCVKBRGDCF-KRWDZBQOSA-N 1 1 333.436 0.627 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972705407 737507236 /nfs/dbraw/zinc/50/72/36/737507236.db2.gz XFEOZCVKBRGDCF-KRWDZBQOSA-N 1 1 333.436 0.627 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069992531 790287054 /nfs/dbraw/zinc/28/70/54/790287054.db2.gz FYOMMKSTSWMVFM-CABCVRRESA-N 1 1 343.435 0.860 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCCNC3=O)C2)nc1 ZINC000972751817 737593996 /nfs/dbraw/zinc/59/39/96/737593996.db2.gz LHIKIOZLVTVJKJ-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cnccn3)C(C)(C)C2)C1=O ZINC000972769763 737616264 /nfs/dbraw/zinc/61/62/64/737616264.db2.gz PQNUPXNEBVXLAV-LSDHHAIUSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cnccn3)C(C)(C)C2)C1=O ZINC000972769763 737616269 /nfs/dbraw/zinc/61/62/69/737616269.db2.gz PQNUPXNEBVXLAV-LSDHHAIUSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3ccnn3C)C(C)(C)C2)C1=O ZINC000972854715 737776278 /nfs/dbraw/zinc/77/62/78/737776278.db2.gz DGTIMKQYCPJSNT-GJZGRUSLSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3ccnn3C)C(C)(C)C2)C1=O ZINC000972854715 737776285 /nfs/dbraw/zinc/77/62/85/737776285.db2.gz DGTIMKQYCPJSNT-GJZGRUSLSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnccn2)C1=O ZINC001024310102 737894477 /nfs/dbraw/zinc/89/44/77/737894477.db2.gz HCVMUAXGCCGOLA-HOCLYGCPSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnccn2)C1=O ZINC001024310102 737894481 /nfs/dbraw/zinc/89/44/81/737894481.db2.gz HCVMUAXGCCGOLA-HOCLYGCPSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001024394961 737938280 /nfs/dbraw/zinc/93/82/80/737938280.db2.gz ONJALEUHVVJNJP-ZBFHGGJFSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001024394961 737938284 /nfs/dbraw/zinc/93/82/84/737938284.db2.gz ONJALEUHVVJNJP-ZBFHGGJFSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001024531216 738067672 /nfs/dbraw/zinc/06/76/72/738067672.db2.gz OURLJKSQWYBFDB-LLVKDONJSA-N 1 1 327.406 0.697 20 30 ECEDMO CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560682 738107149 /nfs/dbraw/zinc/10/71/49/738107149.db2.gz HXLMCRKDGFNCFY-VIHIWDAPSA-N 1 1 331.460 0.844 20 30 ECEDMO CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560682 738107151 /nfs/dbraw/zinc/10/71/51/738107151.db2.gz HXLMCRKDGFNCFY-VIHIWDAPSA-N 1 1 331.460 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc(=O)n(C)cn3)C(C)(C)[C@@H]21 ZINC001087291044 738131912 /nfs/dbraw/zinc/13/19/12/738131912.db2.gz NGRQLOVVMUVIKE-DAXOMENPSA-N 1 1 328.416 0.632 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@H]21 ZINC001087292382 738133303 /nfs/dbraw/zinc/13/33/03/738133303.db2.gz KHGWXUVLNSXOGR-KBMXLJTQSA-N 1 1 345.447 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(C(N)=O)cn1C ZINC001087295547 738142448 /nfs/dbraw/zinc/14/24/48/738142448.db2.gz KXALRBWRZQTZAT-VNQPRFMTSA-N 1 1 342.443 0.976 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCNC(=O)C1 ZINC001087299628 738163684 /nfs/dbraw/zinc/16/36/84/738163684.db2.gz ZQRKZSOIYOMLQM-FHLIZLRMSA-N 1 1 346.475 0.047 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001024626309 738182059 /nfs/dbraw/zinc/18/20/59/738182059.db2.gz CHXXJFRVBDTHCU-HOTGVXAUSA-N 1 1 341.415 0.710 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001024626309 738182062 /nfs/dbraw/zinc/18/20/62/738182062.db2.gz CHXXJFRVBDTHCU-HOTGVXAUSA-N 1 1 341.415 0.710 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001024650737 738199681 /nfs/dbraw/zinc/19/96/81/738199681.db2.gz KEBQBEPPFBACCO-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC(N)=O)[C@@H]3C2(C)C)nn1 ZINC001087306001 738203695 /nfs/dbraw/zinc/20/36/95/738203695.db2.gz BRYAUYWLSUQAKN-GLQYFDAESA-N 1 1 346.435 0.168 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CC(N)=O)[C@@H]3C2(C)C)nn1 ZINC001087306001 738203698 /nfs/dbraw/zinc/20/36/98/738203698.db2.gz BRYAUYWLSUQAKN-GLQYFDAESA-N 1 1 346.435 0.168 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001024705055 738232240 /nfs/dbraw/zinc/23/22/40/738232240.db2.gz VHDRIUSGIDXWRX-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnon2)C1=O ZINC001024720318 738249554 /nfs/dbraw/zinc/24/95/54/738249554.db2.gz IIOQDASLDCJMPA-GXTWGEPZSA-N 1 1 333.392 0.441 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnon2)C1=O ZINC001024720318 738249556 /nfs/dbraw/zinc/24/95/56/738249556.db2.gz IIOQDASLDCJMPA-GXTWGEPZSA-N 1 1 333.392 0.441 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC(N)=O)[C@@H]3C2(C)C)cn1 ZINC001087314529 738263764 /nfs/dbraw/zinc/26/37/64/738263764.db2.gz MNTXOOYWZRPBJL-UAGQMJEPSA-N 1 1 340.427 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CC(N)=O)[C@@H]3C2(C)C)cn1 ZINC001087314529 738263766 /nfs/dbraw/zinc/26/37/66/738263766.db2.gz MNTXOOYWZRPBJL-UAGQMJEPSA-N 1 1 340.427 0.767 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC)C[C@H]21 ZINC001114950045 738281875 /nfs/dbraw/zinc/28/18/75/738281875.db2.gz UJSJPBULEQEYPB-CTTHAOKLSA-N 1 1 335.448 0.540 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC)C[C@H]21 ZINC001114950045 738281880 /nfs/dbraw/zinc/28/18/80/738281880.db2.gz UJSJPBULEQEYPB-CTTHAOKLSA-N 1 1 335.448 0.540 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001069999538 790295581 /nfs/dbraw/zinc/29/55/81/790295581.db2.gz JNHOSFPKYOMMOA-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)C(C)(C)[C@@H]21 ZINC001087318954 738286455 /nfs/dbraw/zinc/28/64/55/738286455.db2.gz GRTNTDZEABERTI-BPLDGKMQSA-N 1 1 328.416 0.966 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3C(=O)CCC3=O)C(C)(C)[C@H]21 ZINC001087318115 738289249 /nfs/dbraw/zinc/28/92/49/738289249.db2.gz RDEPAVQZRCJBJF-DQYPLSBCSA-N 1 1 333.432 0.927 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001025247105 738921323 /nfs/dbraw/zinc/92/13/23/738921323.db2.gz IQXSSLDUQNGKGV-CABCVRRESA-N 1 1 346.431 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC000973219807 738927327 /nfs/dbraw/zinc/92/73/27/738927327.db2.gz JOYGIWRPPIOEBU-VQHPVUNQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC000973219807 738927331 /nfs/dbraw/zinc/92/73/31/738927331.db2.gz JOYGIWRPPIOEBU-VQHPVUNQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000973251671 738975636 /nfs/dbraw/zinc/97/56/36/738975636.db2.gz SALHJUCDZXMVCU-IHRRRGAJSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000973251671 738975639 /nfs/dbraw/zinc/97/56/39/738975639.db2.gz SALHJUCDZXMVCU-IHRRRGAJSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001025276182 738996835 /nfs/dbraw/zinc/99/68/35/738996835.db2.gz GVZKTNJMZRZSHX-LSDHHAIUSA-N 1 1 331.416 0.518 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O ZINC001025286358 739005912 /nfs/dbraw/zinc/00/59/12/739005912.db2.gz JGVRAGRBYNEOHA-LSDHHAIUSA-N 1 1 346.431 0.407 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025298521 739019356 /nfs/dbraw/zinc/01/93/56/739019356.db2.gz XYGOJVRUKFBWIF-HUUCEWRRSA-N 1 1 348.447 0.960 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001111999768 739072035 /nfs/dbraw/zinc/07/20/35/739072035.db2.gz ZXHXLYGASPDVTN-HOCLYGCPSA-N 1 1 341.477 0.262 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2cc(C)ncc2C#N)C1 ZINC001104580013 739083439 /nfs/dbraw/zinc/08/34/39/739083439.db2.gz UYUTWGYMKDBRGN-PBHICJAKSA-N 1 1 345.447 0.663 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2cc(C)ncc2C#N)C1 ZINC001104580013 739083444 /nfs/dbraw/zinc/08/34/44/739083444.db2.gz UYUTWGYMKDBRGN-PBHICJAKSA-N 1 1 345.447 0.663 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)C1CS(=O)(=O)C1)C[C@H](C)O2 ZINC001098600071 739139221 /nfs/dbraw/zinc/13/92/21/739139221.db2.gz SYHQOGNUQKURRC-ZDUSSCGKSA-N 1 1 342.461 0.299 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+]([C@H]2CCCN(C)C2=O)CC1 ZINC000981992784 751428269 /nfs/dbraw/zinc/42/82/69/751428269.db2.gz IIGBHCHNXVUTGC-PMPSAXMXSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+]([C@H]2CCCN(C)C2=O)CC1 ZINC000981992784 751428272 /nfs/dbraw/zinc/42/82/72/751428272.db2.gz IIGBHCHNXVUTGC-PMPSAXMXSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCn2cncn2)nn1 ZINC001028192311 751432683 /nfs/dbraw/zinc/43/26/83/751432683.db2.gz JTZMPQFJTRZRLD-AWEZNQCLSA-N 1 1 344.423 0.340 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001028194589 751438455 /nfs/dbraw/zinc/43/84/55/751438455.db2.gz BLZHABZHCGGZTD-ZOBUZTSGSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001028194589 751438457 /nfs/dbraw/zinc/43/84/57/751438457.db2.gz BLZHABZHCGGZTD-ZOBUZTSGSA-N 1 1 335.448 0.827 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001112011459 739350571 /nfs/dbraw/zinc/35/05/71/739350571.db2.gz PGSFOOLLKOOULE-SCTDSRPQSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001025391560 739366905 /nfs/dbraw/zinc/36/69/05/739366905.db2.gz STLSVXAWUNMVJU-KGLIPLIRSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(CCOC)nn2)C1 ZINC001025411764 739431531 /nfs/dbraw/zinc/43/15/31/739431531.db2.gz KEFVPPUDGRLLLG-GJZGRUSLSA-N 1 1 333.436 0.778 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001025454173 739548001 /nfs/dbraw/zinc/54/80/01/739548001.db2.gz WQNZBCNYRNCLAI-UONOGXRCSA-N 1 1 326.404 0.896 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2O)CC1 ZINC001025491124 739657476 /nfs/dbraw/zinc/65/74/76/739657476.db2.gz PGJWJOALHZYMDM-HZPDHXFCSA-N 1 1 346.431 0.626 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001025492996 739659800 /nfs/dbraw/zinc/65/98/00/739659800.db2.gz IQEKKFJFAADUNG-ZIAGYGMSSA-N 1 1 341.415 0.795 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001025527761 739690707 /nfs/dbraw/zinc/69/07/07/739690707.db2.gz LGQDGCIXABLQTK-GJZGRUSLSA-N 1 1 344.459 0.987 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001025544829 739706060 /nfs/dbraw/zinc/70/60/60/739706060.db2.gz CCRSUYSNCHYFCE-ZIAGYGMSSA-N 1 1 348.447 0.490 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2O)C1 ZINC001025546128 739707320 /nfs/dbraw/zinc/70/73/20/739707320.db2.gz WLIMMGHEEZHEIE-BPLDGKMQSA-N 1 1 335.448 0.372 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025589370 739750787 /nfs/dbraw/zinc/75/07/87/739750787.db2.gz FLHBKNVTBYSUDK-UONOGXRCSA-N 1 1 346.431 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001025593787 739757698 /nfs/dbraw/zinc/75/76/98/739757698.db2.gz CQGYSZPXMNCLMX-ZFWWWQNUSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccnc3nc(C)nn32)C1 ZINC001025593713 739757745 /nfs/dbraw/zinc/75/77/45/739757745.db2.gz BUDJLSNJHAFRIL-OCCSQVGLSA-N 1 1 326.404 0.896 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nc1 ZINC001025597683 739759685 /nfs/dbraw/zinc/75/96/85/739759685.db2.gz RYPAIUJMUKDOOI-HOCLYGCPSA-N 1 1 342.443 0.981 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2C[C@@H](C)OC3(CCN(CC#N)CC3)C2)CC[N@H+]1C ZINC001098603489 739783055 /nfs/dbraw/zinc/78/30/55/739783055.db2.gz PAFCYGJGCYUIBG-BZUAXINKSA-N 1 1 334.464 0.932 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC(=O)N(C)C3)[C@H]2C1 ZINC001083285627 739859209 /nfs/dbraw/zinc/85/92/09/739859209.db2.gz YIGCARRHZAWUFE-OWCLPIDISA-N 1 1 335.448 0.733 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1cnnn1C)C2 ZINC000982023455 751487610 /nfs/dbraw/zinc/48/76/10/751487610.db2.gz GVFHLJPRHBWMOA-CVEARBPZSA-N 1 1 345.447 0.831 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1cnnn1C)C2 ZINC000982023455 751487614 /nfs/dbraw/zinc/48/76/14/751487614.db2.gz GVFHLJPRHBWMOA-CVEARBPZSA-N 1 1 345.447 0.831 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCOCC2)C1=O ZINC001025761865 739927901 /nfs/dbraw/zinc/92/79/01/739927901.db2.gz WPSZQXSZMFOMSS-ZOFXXKQRSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC000982029048 751496565 /nfs/dbraw/zinc/49/65/65/751496565.db2.gz QOALAIIJARJDBN-CQSZACIVSA-N 1 1 330.436 0.736 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC000982029047 751496796 /nfs/dbraw/zinc/49/67/96/751496796.db2.gz QOALAIIJARJDBN-AWEZNQCLSA-N 1 1 330.436 0.736 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ncccn3)C[C@H]21 ZINC001025814126 739997345 /nfs/dbraw/zinc/99/73/45/739997345.db2.gz ZMRABURGBGNZJR-ZOFXXKQRSA-N 1 1 339.443 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ncccn3)C[C@H]21 ZINC001025814126 739997350 /nfs/dbraw/zinc/99/73/50/739997350.db2.gz ZMRABURGBGNZJR-ZOFXXKQRSA-N 1 1 339.443 0.682 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C1 ZINC001025847321 740018834 /nfs/dbraw/zinc/01/88/34/740018834.db2.gz KOFHDDGGPRKJAT-IMSKVBIZSA-N 1 1 331.460 0.997 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070007191 790307938 /nfs/dbraw/zinc/30/79/38/790307938.db2.gz YIMCBCNFSQPSGR-CFVMTHIKSA-N 1 1 327.392 0.399 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070007191 790307943 /nfs/dbraw/zinc/30/79/43/790307943.db2.gz YIMCBCNFSQPSGR-CFVMTHIKSA-N 1 1 327.392 0.399 20 30 ECEDMO Cc1cc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001068464361 790321936 /nfs/dbraw/zinc/32/19/36/790321936.db2.gz ISJQCAQBHXPCMC-QRTARXTBSA-N 1 1 343.431 0.321 20 30 ECEDMO Cc1cc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001068464361 790321945 /nfs/dbraw/zinc/32/19/45/790321945.db2.gz ISJQCAQBHXPCMC-QRTARXTBSA-N 1 1 343.431 0.321 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@@H]2CCCc3n[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001070008927 790312355 /nfs/dbraw/zinc/31/23/55/790312355.db2.gz ABTOVDZVZBOFCN-BNOWGMLFSA-N 1 1 342.407 0.044 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)[C@@H](n2ccnn2)C1 ZINC001070008927 790312360 /nfs/dbraw/zinc/31/23/60/790312360.db2.gz ABTOVDZVZBOFCN-BNOWGMLFSA-N 1 1 342.407 0.044 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)[C@@H](n2ccnn2)C1 ZINC001070008927 790312365 /nfs/dbraw/zinc/31/23/65/790312365.db2.gz ABTOVDZVZBOFCN-BNOWGMLFSA-N 1 1 342.407 0.044 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(Nc3ccc(C#N)cn3)CCC2)C1 ZINC001111777653 740229219 /nfs/dbraw/zinc/22/92/19/740229219.db2.gz MUQRXEWIVVHIEI-AWEZNQCLSA-N 1 1 329.404 0.735 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(Nc3ccc(C#N)cn3)CCC2)C1 ZINC001111777653 740229223 /nfs/dbraw/zinc/22/92/23/740229223.db2.gz MUQRXEWIVVHIEI-AWEZNQCLSA-N 1 1 329.404 0.735 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000988094182 751525507 /nfs/dbraw/zinc/52/55/07/751525507.db2.gz WTBSMZZEGGLFHV-BZPMIXESSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@]2(C)CCCOC2)C1=O ZINC001026126602 740390412 /nfs/dbraw/zinc/39/04/12/740390412.db2.gz IGXSEMQKYQOJOB-LCEIHVTHSA-N 1 1 347.459 0.636 20 30 ECEDMO CN(CCCN(C)c1ncccc1C#N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001112055579 740668341 /nfs/dbraw/zinc/66/83/41/740668341.db2.gz QIEVGSQGRPAFCP-OAHLLOKOSA-N 1 1 331.420 0.569 20 30 ECEDMO CN(CCCN(C)c1ncccc1C#N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001112055579 740668343 /nfs/dbraw/zinc/66/83/43/740668343.db2.gz QIEVGSQGRPAFCP-OAHLLOKOSA-N 1 1 331.420 0.569 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000973963441 740686404 /nfs/dbraw/zinc/68/64/04/740686404.db2.gz FARCTMYYEFWRGZ-QRJUGERDSA-N 1 1 335.448 0.825 20 30 ECEDMO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001104862345 740748896 /nfs/dbraw/zinc/74/88/96/740748896.db2.gz JDHYSTQTRONOBW-ZIAGYGMSSA-N 1 1 330.436 0.903 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000973996480 740749032 /nfs/dbraw/zinc/74/90/32/740749032.db2.gz UMTDQWUMKWLCPG-FPMFFAJLSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC000974011173 740769914 /nfs/dbraw/zinc/76/99/14/740769914.db2.gz ILLLLOPRXKZRTD-YVSFHVDLSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC000974011173 740769919 /nfs/dbraw/zinc/76/99/19/740769919.db2.gz ILLLLOPRXKZRTD-YVSFHVDLSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)C1 ZINC000982092493 751577945 /nfs/dbraw/zinc/57/79/45/751577945.db2.gz IYAVNXKWGBUZDU-OAHLLOKOSA-N 1 1 343.431 0.486 20 30 ECEDMO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@@H]12 ZINC001026306711 740800099 /nfs/dbraw/zinc/80/00/99/740800099.db2.gz PJAHYACUOJVGOX-DJIMGWMZSA-N 1 1 344.459 0.835 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@@H](C)O2 ZINC001098611091 740869717 /nfs/dbraw/zinc/86/97/17/740869717.db2.gz XCNBZXGSMZFKLR-KGLIPLIRSA-N 1 1 344.477 0.687 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)CCn3cnccc3=O)C2)C1 ZINC000982090573 751589295 /nfs/dbraw/zinc/58/92/95/751589295.db2.gz BNWAUYGMZDJFIF-UHFFFAOYSA-N 1 1 328.416 0.581 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000974106908 740940991 /nfs/dbraw/zinc/94/09/91/740940991.db2.gz GALHAESGMVNTKJ-RNJOBUHISA-N 1 1 325.359 0.503 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000974106908 740940994 /nfs/dbraw/zinc/94/09/94/740940994.db2.gz GALHAESGMVNTKJ-RNJOBUHISA-N 1 1 325.359 0.503 20 30 ECEDMO CC(C)C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104926291 740954797 /nfs/dbraw/zinc/95/47/97/740954797.db2.gz OABUQGYCJYCSLT-UKRRQHHQSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104926291 740954800 /nfs/dbraw/zinc/95/48/00/740954800.db2.gz OABUQGYCJYCSLT-UKRRQHHQSA-N 1 1 346.435 0.622 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C)nn2)C1 ZINC000974114148 740954866 /nfs/dbraw/zinc/95/48/66/740954866.db2.gz CAUNFHSWOMJDKY-LZWOXQAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C)nn2)C1 ZINC000974114148 740954868 /nfs/dbraw/zinc/95/48/68/740954868.db2.gz CAUNFHSWOMJDKY-LZWOXQAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nccn1CC ZINC001038366139 741056430 /nfs/dbraw/zinc/05/64/30/741056430.db2.gz FKHDOEDYBRMWAN-CVEARBPZSA-N 1 1 329.448 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nccn1CC ZINC001038366139 741056431 /nfs/dbraw/zinc/05/64/31/741056431.db2.gz FKHDOEDYBRMWAN-CVEARBPZSA-N 1 1 329.448 0.691 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cn(C)nc1C ZINC001038366717 741095781 /nfs/dbraw/zinc/09/57/81/741095781.db2.gz ISJABSGLNAPCAQ-SJORKVTESA-N 1 1 329.448 0.517 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cn(C)nc1C ZINC001038366717 741095787 /nfs/dbraw/zinc/09/57/87/741095787.db2.gz ISJABSGLNAPCAQ-SJORKVTESA-N 1 1 329.448 0.517 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[N@@H+](Cc3cn(C)nc3C)CC2)nn1 ZINC000982114293 751607172 /nfs/dbraw/zinc/60/71/72/751607172.db2.gz ZZMBMOYXAOYWMC-UHFFFAOYSA-N 1 1 343.435 0.854 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[N@H+](Cc3cn(C)nc3C)CC2)nn1 ZINC000982114293 751607178 /nfs/dbraw/zinc/60/71/78/751607178.db2.gz ZZMBMOYXAOYWMC-UHFFFAOYSA-N 1 1 343.435 0.854 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C)cn1 ZINC001020440340 751611878 /nfs/dbraw/zinc/61/18/78/751611878.db2.gz QANKSHOQRRBANV-JQFCIGGWSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2oncc2C)C1 ZINC000974262661 741192321 /nfs/dbraw/zinc/19/23/21/741192321.db2.gz DKABDZCDMUHOHW-MJBXVCDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2oncc2C)C1 ZINC000974262661 741192322 /nfs/dbraw/zinc/19/23/22/741192322.db2.gz DKABDZCDMUHOHW-MJBXVCDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2F)C1 ZINC000974262984 741192660 /nfs/dbraw/zinc/19/26/60/741192660.db2.gz IAHFVBKNAXJFDC-GUTXKFCHSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2F)C1 ZINC000974262984 741192663 /nfs/dbraw/zinc/19/26/63/741192663.db2.gz IAHFVBKNAXJFDC-GUTXKFCHSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=C(C)OCCC2)C1 ZINC000974264880 741196456 /nfs/dbraw/zinc/19/64/56/741196456.db2.gz FXEMDBBFCGUIDV-UXLLHSPISA-N 1 1 345.443 0.932 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=C(C)OCCC2)C1 ZINC000974264880 741196459 /nfs/dbraw/zinc/19/64/59/741196459.db2.gz FXEMDBBFCGUIDV-UXLLHSPISA-N 1 1 345.443 0.932 20 30 ECEDMO N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001059857353 751614382 /nfs/dbraw/zinc/61/43/82/751614382.db2.gz ZUHFAMCPWKGKAB-JYYAWHABSA-N 1 1 341.415 0.297 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCO)C2)CC1 ZINC001105062275 741272284 /nfs/dbraw/zinc/27/22/84/741272284.db2.gz KLKIAMPGALVCQQ-SJLPKXTDSA-N 1 1 335.492 0.788 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(CO)cc1 ZINC001038369936 741343706 /nfs/dbraw/zinc/34/37/06/741343706.db2.gz YBFOEUKEXKWPLG-MOPGFXCFSA-N 1 1 341.455 0.967 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(CO)cc1 ZINC001038369936 741343710 /nfs/dbraw/zinc/34/37/10/741343710.db2.gz YBFOEUKEXKWPLG-MOPGFXCFSA-N 1 1 341.455 0.967 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](Nc2ccc(C#N)nn2)C(C)C)C1 ZINC001105188579 741455549 /nfs/dbraw/zinc/45/55/49/741455549.db2.gz FAVUWBOIGRTHQG-HUUCEWRRSA-N 1 1 346.435 0.622 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](Nc2ccc(C#N)nn2)C(C)C)C1 ZINC001105188579 741455553 /nfs/dbraw/zinc/45/55/53/741455553.db2.gz FAVUWBOIGRTHQG-HUUCEWRRSA-N 1 1 346.435 0.622 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3cc(C)n[nH]3)C2)nn1 ZINC001105207181 741473637 /nfs/dbraw/zinc/47/36/37/741473637.db2.gz ICBHXKIZIHLOQU-UHFFFAOYSA-N 1 1 329.408 0.601 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@](C)(O)C3CC3)C2)nn1 ZINC001105216338 741488461 /nfs/dbraw/zinc/48/84/61/741488461.db2.gz SJHUSSQUUXHYLO-KRWDZBQOSA-N 1 1 333.436 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CCC([NH2+]Cc3nnn(C)n3)CC2)c1 ZINC001026556953 741554788 /nfs/dbraw/zinc/55/47/88/741554788.db2.gz GOPKUSCSRNVALX-UHFFFAOYSA-N 1 1 339.403 0.417 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4[nH]cnc4c3)C2)nn1 ZINC001105252508 741561939 /nfs/dbraw/zinc/56/19/39/741561939.db2.gz VAOHQXQHWRHKIA-UHFFFAOYSA-N 1 1 338.375 0.522 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCCO[C@H]3C)C2)nn1 ZINC001105262145 741588063 /nfs/dbraw/zinc/58/80/63/741588063.db2.gz JIJGRRIQLDFHND-WFASDCNBSA-N 1 1 335.408 0.131 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CCC([NH2+]Cc3nnn(C)n3)CC2)cn1 ZINC001026595234 741590617 /nfs/dbraw/zinc/59/06/17/741590617.db2.gz QECRPMIXPFYNRS-UHFFFAOYSA-N 1 1 339.403 0.417 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnc[nH]c3=O)C2)nn1 ZINC001105265509 741601468 /nfs/dbraw/zinc/60/14/68/741601468.db2.gz AUXYWJCNKGQTNS-UHFFFAOYSA-N 1 1 329.364 0.137 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3csnn3)C2)nn1 ZINC001105294702 741664937 /nfs/dbraw/zinc/66/49/37/741664937.db2.gz BIPBHNKPSGCTIY-UHFFFAOYSA-N 1 1 349.420 0.119 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCn3nc(C)cc3C)C2)nn1 ZINC001105294834 741666793 /nfs/dbraw/zinc/66/67/93/741666793.db2.gz JCABVMJJQXARRZ-UHFFFAOYSA-N 1 1 343.435 0.841 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)nn1 ZINC001105312604 741731196 /nfs/dbraw/zinc/73/11/96/741731196.db2.gz UGMVWLAUCHHJQM-INIZCTEOSA-N 1 1 348.451 0.046 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ncccc3F)C2)nn1 ZINC001105312702 741732003 /nfs/dbraw/zinc/73/20/03/741732003.db2.gz YURVNMFKEGAAFE-UHFFFAOYSA-N 1 1 330.367 0.714 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001026731488 741732573 /nfs/dbraw/zinc/73/25/73/741732573.db2.gz WDGCSONNUYBSSM-ZIAGYGMSSA-N 1 1 331.420 0.557 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470883 741776052 /nfs/dbraw/zinc/77/60/52/741776052.db2.gz DJHOUCPKDQLOIV-CQSZACIVSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470883 741776055 /nfs/dbraw/zinc/77/60/55/741776055.db2.gz DJHOUCPKDQLOIV-CQSZACIVSA-N 1 1 329.404 0.605 20 30 ECEDMO CN1CCC[C@H]([N@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974473202 741779013 /nfs/dbraw/zinc/77/90/13/741779013.db2.gz SKSYDXCHBVHJLY-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001105328583 741821049 /nfs/dbraw/zinc/82/10/49/741821049.db2.gz LNLBJMWNBNVZCH-UHFFFAOYSA-N 1 1 330.436 0.116 20 30 ECEDMO C[N@@H+](CC(=O)N1CC(n2cc(CNCC#N)nn2)C1)CC(C)(C)C ZINC001105328838 741828616 /nfs/dbraw/zinc/82/86/16/741828616.db2.gz ZHWHVAIIWSIKFU-UHFFFAOYSA-N 1 1 333.440 0.252 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cnnn3C)C(C)(C)C2)C1=O ZINC000974545041 741877523 /nfs/dbraw/zinc/87/75/23/741877523.db2.gz DKSUCZYURLTDOS-OCCSQVGLSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cnnn3C)C(C)(C)C2)C1=O ZINC000974545041 741877529 /nfs/dbraw/zinc/87/75/29/741877529.db2.gz DKSUCZYURLTDOS-OCCSQVGLSA-N 1 1 346.435 0.042 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974640650 741960924 /nfs/dbraw/zinc/96/09/24/741960924.db2.gz JLDDLJGDNUZGTC-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000982173490 751683542 /nfs/dbraw/zinc/68/35/42/751683542.db2.gz OWWIULGJCQDOQS-JYJNAYRXSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000982173490 751683546 /nfs/dbraw/zinc/68/35/46/751683546.db2.gz OWWIULGJCQDOQS-JYJNAYRXSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000974881841 742289803 /nfs/dbraw/zinc/28/98/03/742289803.db2.gz RAWLHXMTQONCSY-KBPBESRZSA-N 1 1 329.404 0.215 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@]2(C)C1 ZINC000982233509 751739170 /nfs/dbraw/zinc/73/91/70/751739170.db2.gz SEUJJZJESSELTB-AHCXZYCDSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H](C[NH2+]Cc3cnsn3)C2)nn1 ZINC001027115291 742605092 /nfs/dbraw/zinc/60/50/92/742605092.db2.gz VULLKWONMBHSBR-GFCCVEGCSA-N 1 1 347.448 0.958 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000975212417 742609915 /nfs/dbraw/zinc/60/99/15/742609915.db2.gz DPWLAXFRBBNQJL-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1ccc(F)c(C[NH2+]C[C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)c1 ZINC001027162518 742892023 /nfs/dbraw/zinc/89/20/23/742892023.db2.gz QFNDELVMFFRXQS-ZDUSSCGKSA-N 1 1 342.378 0.996 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001028994072 743118860 /nfs/dbraw/zinc/11/88/60/743118860.db2.gz MIEOKLRVVRDTFI-KGLIPLIRSA-N 1 1 329.828 0.424 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001028994072 743118863 /nfs/dbraw/zinc/11/88/63/743118863.db2.gz MIEOKLRVVRDTFI-KGLIPLIRSA-N 1 1 329.828 0.424 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C)c1 ZINC001020561252 751797836 /nfs/dbraw/zinc/79/78/36/751797836.db2.gz ILTWNCFLYUABRR-JQFCIGGWSA-N 1 1 340.427 0.876 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC000975810978 743329781 /nfs/dbraw/zinc/32/97/81/743329781.db2.gz KQYDVFQOZNHQEQ-PMPSAXMXSA-N 1 1 348.447 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC000975854277 743355761 /nfs/dbraw/zinc/35/57/61/743355761.db2.gz OPUKYOYVTLDQLQ-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC000975854277 743355762 /nfs/dbraw/zinc/35/57/62/743355762.db2.gz OPUKYOYVTLDQLQ-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnn(C)c3)C2)C1=O ZINC001027291902 743471722 /nfs/dbraw/zinc/47/17/22/743471722.db2.gz YXUZDNWXLFRCAH-JKSUJKDBSA-N 1 1 345.447 0.743 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000997335035 743501484 /nfs/dbraw/zinc/50/14/84/743501484.db2.gz OTXFLAZQKWNFFO-GUYCJALGSA-N 1 1 325.412 0.806 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC000997336988 743504285 /nfs/dbraw/zinc/50/42/85/743504285.db2.gz KMBDFTXQPTWNDJ-CXAGYDPISA-N 1 1 325.412 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cn3cccn3)C2)C1=O ZINC001027298885 743511722 /nfs/dbraw/zinc/51/17/22/743511722.db2.gz MMVLMYDPFLWWEJ-HZPDHXFCSA-N 1 1 345.447 0.593 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccn[nH]3)CC2)C1=O ZINC000997560360 743676560 /nfs/dbraw/zinc/67/65/60/743676560.db2.gz DJWXHHPELXGEGM-AWEZNQCLSA-N 1 1 331.420 0.638 20 30 ECEDMO COCCc1noc(C[NH2+]CC2CCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC000997616577 743712378 /nfs/dbraw/zinc/71/23/78/743712378.db2.gz CQBTUNXUWIPEHJ-GFCCVEGCSA-N 1 1 335.408 0.746 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3ccon3)C2)C1=O ZINC001027338470 743808780 /nfs/dbraw/zinc/80/87/80/743808780.db2.gz KMBBCEYGCHUQOT-HZPDHXFCSA-N 1 1 346.431 0.927 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000976310463 743818215 /nfs/dbraw/zinc/81/82/15/743818215.db2.gz LJKDFLDQBPPZLM-VVLHAWIVSA-N 1 1 347.459 0.636 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000976310463 743818221 /nfs/dbraw/zinc/81/82/21/743818221.db2.gz LJKDFLDQBPPZLM-VVLHAWIVSA-N 1 1 347.459 0.636 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344108 743827129 /nfs/dbraw/zinc/82/71/29/743827129.db2.gz OBWUHBXCNHBUMR-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2oncc2C)C1=O ZINC001028239786 751869328 /nfs/dbraw/zinc/86/93/28/751869328.db2.gz WXGAPKOHJCHVSW-ZIAGYGMSSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2oncc2C)C1=O ZINC001028239786 751869336 /nfs/dbraw/zinc/86/93/36/751869336.db2.gz WXGAPKOHJCHVSW-ZIAGYGMSSA-N 1 1 332.404 0.964 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1nc(C)cc(C)n1 ZINC001111582690 751862841 /nfs/dbraw/zinc/86/28/41/751862841.db2.gz ILFSQGCSNAGTQX-INIZCTEOSA-N 1 1 345.447 0.424 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1nc(C)cc(C)n1 ZINC001111582690 751862847 /nfs/dbraw/zinc/86/28/47/751862847.db2.gz ILFSQGCSNAGTQX-INIZCTEOSA-N 1 1 345.447 0.424 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)n1 ZINC001059872888 751871213 /nfs/dbraw/zinc/87/12/13/751871213.db2.gz MNOCDBYRDXNKCW-BARDWOONSA-N 1 1 340.431 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cocn1 ZINC000976401818 743928605 /nfs/dbraw/zinc/92/86/05/743928605.db2.gz RHTUVLIVKXQXQL-FMKPAKJESA-N 1 1 344.415 0.929 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cocn1 ZINC000976401818 743928607 /nfs/dbraw/zinc/92/86/07/743928607.db2.gz RHTUVLIVKXQXQL-FMKPAKJESA-N 1 1 344.415 0.929 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000998028549 743938456 /nfs/dbraw/zinc/93/84/56/743938456.db2.gz YFWGLSRJMUCROL-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](OC)C3CC3)C[C@H]21 ZINC000976738321 744264265 /nfs/dbraw/zinc/26/42/65/744264265.db2.gz DAEYPFQOXWRYKL-DMRKSPOLSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](OC)C3CC3)C[C@H]21 ZINC000976738321 744264268 /nfs/dbraw/zinc/26/42/68/744264268.db2.gz DAEYPFQOXWRYKL-DMRKSPOLSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3(C)C)C[C@H]21 ZINC000976739976 744266430 /nfs/dbraw/zinc/26/64/30/744266430.db2.gz JZACAUNJQOSERE-XFIYOXNOSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3(C)C)C[C@H]21 ZINC000976739976 744266433 /nfs/dbraw/zinc/26/64/33/744266433.db2.gz JZACAUNJQOSERE-XFIYOXNOSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CCCO3)C[C@H]21 ZINC000976742593 744278298 /nfs/dbraw/zinc/27/82/98/744278298.db2.gz UUZKNAWSFZBPKC-RNGZQALNSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CCCO3)C[C@H]21 ZINC000976742593 744278299 /nfs/dbraw/zinc/27/82/99/744278299.db2.gz UUZKNAWSFZBPKC-RNGZQALNSA-N 1 1 345.443 0.226 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2CC(F)F)C1 ZINC000998748177 744312762 /nfs/dbraw/zinc/31/27/62/744312762.db2.gz VMMQELGRJVQIAM-WDEREUQCSA-N 1 1 326.351 0.783 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC000998750660 744314459 /nfs/dbraw/zinc/31/44/59/744314459.db2.gz FIUDPVCYKJTIJC-ZJUUUORDSA-N 1 1 345.329 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(Cl)no2)C1 ZINC000998763041 744319975 /nfs/dbraw/zinc/31/99/75/744319975.db2.gz GPJVIACFTUYHME-NSHDSACASA-N 1 1 336.779 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(Cl)no2)C1 ZINC000998763041 744319979 /nfs/dbraw/zinc/31/99/79/744319979.db2.gz GPJVIACFTUYHME-NSHDSACASA-N 1 1 336.779 0.366 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001059875499 751911698 /nfs/dbraw/zinc/91/16/98/751911698.db2.gz BFIFLLBATRLALK-QWHCGFSZSA-N 1 1 347.419 0.864 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC ZINC001028249691 751921141 /nfs/dbraw/zinc/92/11/41/751921141.db2.gz DFNQOJZNAWRWNZ-KBPBESRZSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC ZINC001028249691 751921147 /nfs/dbraw/zinc/92/11/47/751921147.db2.gz DFNQOJZNAWRWNZ-KBPBESRZSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977275403 744829562 /nfs/dbraw/zinc/82/95/62/744829562.db2.gz VVQLBKZNXPNXOZ-WCQYABFASA-N 1 1 334.424 0.039 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977275403 744829566 /nfs/dbraw/zinc/82/95/66/744829566.db2.gz VVQLBKZNXPNXOZ-WCQYABFASA-N 1 1 334.424 0.039 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C(C)(C)C1 ZINC000977330598 744872927 /nfs/dbraw/zinc/87/29/27/744872927.db2.gz VNLABVCIFSIFPR-CYBMUJFWSA-N 1 1 327.388 0.898 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CC(=O)N2CCOCC2)C1 ZINC001027521567 744970818 /nfs/dbraw/zinc/97/08/18/744970818.db2.gz GRPQGZCUFWOUFQ-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)N2CCOCC2)C1 ZINC001027521567 744970821 /nfs/dbraw/zinc/97/08/21/744970821.db2.gz GRPQGZCUFWOUFQ-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000977468488 745057045 /nfs/dbraw/zinc/05/70/45/745057045.db2.gz MSKJDKGKMGVTSW-SNVBAGLBSA-N 1 1 334.376 0.360 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc[n+]([O-])cc3)nn2)C1 ZINC000999949299 745085641 /nfs/dbraw/zinc/08/56/41/745085641.db2.gz ICFBPGBBLBRSMM-MRXNPFEDSA-N 1 1 340.387 0.112 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnsn3)nn2)C1 ZINC000999956961 745097264 /nfs/dbraw/zinc/09/72/64/745097264.db2.gz SIRWLCOJJZIJRY-LBPRGKRZSA-N 1 1 333.421 0.883 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)[nH]3)nn2)C1 ZINC000999961778 745104734 /nfs/dbraw/zinc/10/47/34/745104734.db2.gz JWNDDFHXMSDZPN-CQSZACIVSA-N 1 1 327.392 0.510 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC2(C)C)cn1 ZINC000977520135 745112715 /nfs/dbraw/zinc/11/27/15/745112715.db2.gz BNPCWGMDKUJSOU-MRXNPFEDSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)CC2(C)C)cn1 ZINC000977520135 745112718 /nfs/dbraw/zinc/11/27/18/745112718.db2.gz BNPCWGMDKUJSOU-MRXNPFEDSA-N 1 1 340.427 0.735 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)n1 ZINC001027531729 745114918 /nfs/dbraw/zinc/11/49/18/745114918.db2.gz PWUAMSKMFDKPRG-HNNXBMFYSA-N 1 1 339.403 0.818 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cccc(=O)[nH]3)nn2)C1 ZINC000999970825 745118638 /nfs/dbraw/zinc/11/86/38/745118638.db2.gz KUYYMBDJFQBZBD-CQSZACIVSA-N 1 1 340.387 0.579 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncccc3O)nn2)C1 ZINC000999978149 745126657 /nfs/dbraw/zinc/12/66/57/745126657.db2.gz FKYAWTISZQYFSS-AWEZNQCLSA-N 1 1 340.387 0.579 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3coc(C)n3)nn2)C1 ZINC000999981353 745132631 /nfs/dbraw/zinc/13/26/31/745132631.db2.gz SMBXEHMMKFLGFI-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)nnn3CC)nn2)C1 ZINC000999989089 745145832 /nfs/dbraw/zinc/14/58/32/745145832.db2.gz BZVISEHFYUJNDG-AWEZNQCLSA-N 1 1 344.423 0.561 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)nnn3CC)nn2)C1 ZINC000999989175 745145937 /nfs/dbraw/zinc/14/59/37/745145937.db2.gz CTULCJCMZQTZJV-AWEZNQCLSA-N 1 1 342.407 0.008 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 ZINC000999990537 745147356 /nfs/dbraw/zinc/14/73/56/745147356.db2.gz KXYOHCHSFSSIEE-CYBMUJFWSA-N 1 1 330.396 0.160 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)[nH]nc3Cl)nn2)C1 ZINC000999992727 745150181 /nfs/dbraw/zinc/15/01/81/745150181.db2.gz PQTPTKVGTINWKQ-GFCCVEGCSA-N 1 1 347.810 0.773 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C4CC4)o3)nn2)C1 ZINC000999993317 745151091 /nfs/dbraw/zinc/15/10/91/745151091.db2.gz RWKYHUAFKJJBJH-CQSZACIVSA-N 1 1 340.387 0.954 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCCO[C@H]3C)nn2)C1 ZINC000999997065 745157747 /nfs/dbraw/zinc/15/77/47/745157747.db2.gz LXTJBEATHVFKNL-BPUTZDHNSA-N 1 1 349.435 0.521 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3csnn3)nn2)C1 ZINC001000000623 745162917 /nfs/dbraw/zinc/16/29/17/745162917.db2.gz KMTVBIXCRJKMSP-GFCCVEGCSA-N 1 1 333.421 0.883 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(=O)n(C)c3)nn2)C1 ZINC001000002522 745166949 /nfs/dbraw/zinc/16/69/49/745166949.db2.gz JWMSWOHGVRSTEO-HNNXBMFYSA-N 1 1 342.403 0.340 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001000003341 745168542 /nfs/dbraw/zinc/16/85/42/745168542.db2.gz PDLQYZSKZYEEHN-CQSZACIVSA-N 1 1 327.392 0.212 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)c3ccc4c[nH+]cn4c3)nn2)C1 ZINC001000004422 745170710 /nfs/dbraw/zinc/17/07/10/745170710.db2.gz TXHQVCLLGPSORM-KRWDZBQOSA-N 1 1 349.398 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccc4n[nH]cc43)nn2)C1 ZINC001000010276 745178215 /nfs/dbraw/zinc/17/82/15/745178215.db2.gz QTTRIMKVPLEEKQ-AWEZNQCLSA-N 1 1 349.398 0.964 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1 ZINC001006921695 751979502 /nfs/dbraw/zinc/97/95/02/751979502.db2.gz XBIRISNQHNZNGQ-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nnc[nH]3)nn2)C1 ZINC001000028302 745201298 /nfs/dbraw/zinc/20/12/98/745201298.db2.gz HFZCUWOVMXZWAO-CYBMUJFWSA-N 1 1 330.396 0.539 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001000028302 745201305 /nfs/dbraw/zinc/20/13/05/745201305.db2.gz HFZCUWOVMXZWAO-CYBMUJFWSA-N 1 1 330.396 0.539 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001000028302 745201311 /nfs/dbraw/zinc/20/13/11/745201311.db2.gz HFZCUWOVMXZWAO-CYBMUJFWSA-N 1 1 330.396 0.539 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001000028302 745201318 /nfs/dbraw/zinc/20/13/18/745201318.db2.gz HFZCUWOVMXZWAO-CYBMUJFWSA-N 1 1 330.396 0.539 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001000028302 745201321 /nfs/dbraw/zinc/20/13/21/745201321.db2.gz HFZCUWOVMXZWAO-CYBMUJFWSA-N 1 1 330.396 0.539 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001000030012 745203494 /nfs/dbraw/zinc/20/34/94/745203494.db2.gz PTCADOHJWHJWCC-CYBMUJFWSA-N 1 1 347.810 0.997 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001000030012 745203496 /nfs/dbraw/zinc/20/34/96/745203496.db2.gz PTCADOHJWHJWCC-CYBMUJFWSA-N 1 1 347.810 0.997 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)n[nH]c3C)nn2)C1 ZINC001000031223 745205455 /nfs/dbraw/zinc/20/54/55/745205455.db2.gz WVOZCWDDHJQDGM-CQSZACIVSA-N 1 1 329.408 0.981 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(COC)on3)nn2)C1 ZINC001000031427 745206365 /nfs/dbraw/zinc/20/63/65/745206365.db2.gz NZFAWHUUCCEFQJ-ZDUSSCGKSA-N 1 1 346.391 0.775 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(CC)nn3)nn2)C1 ZINC001000032689 745207007 /nfs/dbraw/zinc/20/70/07/745207007.db2.gz DTVCUECSZFYBCV-CQSZACIVSA-N 1 1 342.407 0.090 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nc(C)oc3C)nn2)C1 ZINC001000033921 745208351 /nfs/dbraw/zinc/20/83/51/745208351.db2.gz HOXFQCPSRYIRET-CQSZACIVSA-N 1 1 328.376 0.693 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001000034687 745210512 /nfs/dbraw/zinc/21/05/12/745210512.db2.gz YLNNPSAAIGDKOA-UAGQMJEPSA-N 1 1 349.475 0.882 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C#C)cn3)nn2)C1 ZINC001000036478 745213802 /nfs/dbraw/zinc/21/38/02/745213802.db2.gz TWZMUONZFPJRQF-MRXNPFEDSA-N 1 1 334.383 0.464 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncccc3OC)nn2)C1 ZINC001000045219 745226188 /nfs/dbraw/zinc/22/61/88/745226188.db2.gz OIXGPTBCBBYILK-AWEZNQCLSA-N 1 1 340.387 0.492 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC34CCOCC4)nn2)C1 ZINC001000048024 745228676 /nfs/dbraw/zinc/22/86/76/745228676.db2.gz VCTUOBSZDCEGNT-HZPDHXFCSA-N 1 1 343.431 0.591 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccn(C)n3)C(C)(C)C2)C1=O ZINC000977583276 745242029 /nfs/dbraw/zinc/24/20/29/745242029.db2.gz CJABEWYFYILITD-LSDHHAIUSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccn(C)n3)C(C)(C)C2)C1=O ZINC000977583276 745242032 /nfs/dbraw/zinc/24/20/32/745242032.db2.gz CJABEWYFYILITD-LSDHHAIUSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)C3=NC(=O)N(C)C3)C2)C1=O ZINC001000089415 745254784 /nfs/dbraw/zinc/25/47/84/745254784.db2.gz FSFNJEXDGVYDIC-STQMWFEESA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3[nH]cnc3C)C2)nn1 ZINC001105385085 745261833 /nfs/dbraw/zinc/26/18/33/745261833.db2.gz UTJOFWFVFOOVOV-UHFFFAOYSA-N 1 1 345.407 0.299 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)Cn3ccnc3)C(C)(C)C2)C1=O ZINC000977646723 745332211 /nfs/dbraw/zinc/33/22/11/745332211.db2.gz NFIQXNCMXJFIRG-CABCVRRESA-N 1 1 345.447 0.497 20 30 ECEDMO C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 ZINC001105387492 745430269 /nfs/dbraw/zinc/43/02/69/745430269.db2.gz XDCIMXLQAILGEI-INIZCTEOSA-N 1 1 332.448 0.771 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nccc(C)n3)C2)nn1 ZINC001000401961 745477683 /nfs/dbraw/zinc/47/76/83/745477683.db2.gz HAICMTDBLWFWER-AWEZNQCLSA-N 1 1 341.419 0.957 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1cncc(C#N)n1 ZINC001126512648 745540075 /nfs/dbraw/zinc/54/00/75/745540075.db2.gz CRGZBTKUNLUXFF-AWEZNQCLSA-N 1 1 346.435 0.402 20 30 ECEDMO CN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC001000594029 745623144 /nfs/dbraw/zinc/62/31/44/745623144.db2.gz IBKFJSFGMOEMFQ-HNNXBMFYSA-N 1 1 327.388 0.479 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000977919492 745646935 /nfs/dbraw/zinc/64/69/35/745646935.db2.gz NPMBLALCZQABFI-BBWFWOEESA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1csnn1 ZINC000977921354 745650715 /nfs/dbraw/zinc/65/07/15/745650715.db2.gz SBJJGEPKBKDEIN-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1csnn1 ZINC000977921354 745650719 /nfs/dbraw/zinc/65/07/19/745650719.db2.gz SBJJGEPKBKDEIN-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)COC(C)C)C1 ZINC001059283760 745670104 /nfs/dbraw/zinc/67/01/04/745670104.db2.gz HXACWTIJVJRDRH-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)COC(C)C)C1 ZINC001059283760 745670107 /nfs/dbraw/zinc/67/01/07/745670107.db2.gz HXACWTIJVJRDRH-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cnccn1 ZINC000977927119 745681218 /nfs/dbraw/zinc/68/12/18/745681218.db2.gz KUMCGXSCMJSWGY-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cnccn1 ZINC000977927119 745681224 /nfs/dbraw/zinc/68/12/24/745681224.db2.gz KUMCGXSCMJSWGY-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C#N)nn1 ZINC001126522976 745716392 /nfs/dbraw/zinc/71/63/92/745716392.db2.gz INWHZAFPCMPDJP-DZGCQCFKSA-N 1 1 346.435 0.115 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1ccncc1C#N ZINC001126523729 745729776 /nfs/dbraw/zinc/72/97/76/745729776.db2.gz OQQWJJPVDYXASI-ZBFHGGJFSA-N 1 1 345.447 0.720 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(C#N)cn1 ZINC001126524747 745737929 /nfs/dbraw/zinc/73/79/29/745737929.db2.gz YLTVCPCCAUKPOG-OAHLLOKOSA-N 1 1 345.447 0.864 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C[C@@]2(C)C1 ZINC000982352851 752028346 /nfs/dbraw/zinc/02/83/46/752028346.db2.gz MARFEPMENWCESR-LZQZEXGQSA-N 1 1 346.475 0.971 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027586033 745868847 /nfs/dbraw/zinc/86/88/47/745868847.db2.gz VVITXGUNMIPMOJ-OAGGEKHMSA-N 1 1 333.436 0.792 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004186 752041130 /nfs/dbraw/zinc/04/11/30/752041130.db2.gz USQYSXYZKDHVOB-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004186 752041135 /nfs/dbraw/zinc/04/11/35/752041135.db2.gz USQYSXYZKDHVOB-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC001000926652 745906539 /nfs/dbraw/zinc/90/65/39/745906539.db2.gz IRDLIHIRIQVNMQ-UHFFFAOYSA-N 1 1 341.411 0.936 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001000934315 745912012 /nfs/dbraw/zinc/91/20/12/745912012.db2.gz LUWXVUDOKBYCCF-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001059325572 745925335 /nfs/dbraw/zinc/92/53/35/745925335.db2.gz OTZKARSEBPIYGT-JHJVBQTASA-N 1 1 337.387 0.603 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001000992965 745958316 /nfs/dbraw/zinc/95/83/16/745958316.db2.gz OSXAZERRFOTLNC-SJLPKXTDSA-N 1 1 333.476 0.949 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001059334705 745986298 /nfs/dbraw/zinc/98/62/98/745986298.db2.gz IKIIMHIXNNAHKX-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001059334704 745986324 /nfs/dbraw/zinc/98/63/24/745986324.db2.gz IKIIMHIXNNAHKX-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC000978170909 746005288 /nfs/dbraw/zinc/00/52/88/746005288.db2.gz XVMAWDCQODMKDR-MTSZKFMLSA-N 1 1 345.447 0.590 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC000978170909 746005293 /nfs/dbraw/zinc/00/52/93/746005293.db2.gz XVMAWDCQODMKDR-MTSZKFMLSA-N 1 1 345.447 0.590 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1CC ZINC001087570494 746073991 /nfs/dbraw/zinc/07/39/91/746073991.db2.gz UZXXADUZWCTOHA-AEGPPILISA-N 1 1 331.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)n(C)n2)C1 ZINC001001107371 746082989 /nfs/dbraw/zinc/08/29/89/746082989.db2.gz OFFZBFJDOJESTM-INIZCTEOSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)n(C)n2)C1 ZINC001001107371 746082992 /nfs/dbraw/zinc/08/29/92/746082992.db2.gz OFFZBFJDOJESTM-INIZCTEOSA-N 1 1 343.431 0.014 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3nccn3)[C@H]2CC)C1=O ZINC001087587660 746100955 /nfs/dbraw/zinc/10/09/55/746100955.db2.gz BJNURZFUMDLJDI-RRFJBIMHSA-N 1 1 346.435 0.034 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnn(C)n2)[C@@H]1CC ZINC001087607343 746115409 /nfs/dbraw/zinc/11/54/09/746115409.db2.gz YLDAEALMBAQZBB-BBWFWOEESA-N 1 1 344.463 0.382 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnn(C)n2)[C@@H]1CC ZINC001087607343 746115411 /nfs/dbraw/zinc/11/54/11/746115411.db2.gz YLDAEALMBAQZBB-BBWFWOEESA-N 1 1 344.463 0.382 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]21 ZINC000978287959 746129694 /nfs/dbraw/zinc/12/96/94/746129694.db2.gz ZSGJQUROCARZEV-FJIDUMEYSA-N 1 1 341.459 0.312 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]21 ZINC000978287959 746129697 /nfs/dbraw/zinc/12/96/97/746129697.db2.gz ZSGJQUROCARZEV-FJIDUMEYSA-N 1 1 341.459 0.312 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H]1CC ZINC001087636425 746136570 /nfs/dbraw/zinc/13/65/70/746136570.db2.gz PPLQMOZYOKIYIA-UONOGXRCSA-N 1 1 342.403 0.926 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3conc3C)C[C@H]21 ZINC000978280516 746142780 /nfs/dbraw/zinc/14/27/80/746142780.db2.gz JFAFQWBUXHFFHM-FJIDUMEYSA-N 1 1 342.443 0.875 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c(cn3)OCCO4)[C@@H]2C1 ZINC000978281517 746143817 /nfs/dbraw/zinc/14/38/17/746143817.db2.gz BSWKZPPNWLFOOK-ZSOGYDGISA-N 1 1 327.384 0.784 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c(cn3)OCCO4)[C@@H]2C1 ZINC000978281545 746143913 /nfs/dbraw/zinc/14/39/13/746143913.db2.gz CERIAXYFBRLMRA-ZSOGYDGISA-N 1 1 327.384 0.784 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@H+]([C@@H]3CCCNC3=O)CC2)nn1 ZINC001001242143 746200587 /nfs/dbraw/zinc/20/05/87/746200587.db2.gz OHZBUBZDRKHHSV-OAHLLOKOSA-N 1 1 344.419 0.105 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@H+]([C@H]3CCCNC3=O)CC2)nn1 ZINC001001242142 746200749 /nfs/dbraw/zinc/20/07/49/746200749.db2.gz OHZBUBZDRKHHSV-HNNXBMFYSA-N 1 1 344.419 0.105 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001001245066 746203097 /nfs/dbraw/zinc/20/30/97/746203097.db2.gz LIXMYTXWFUZICS-ULQDDVLXSA-N 1 1 347.459 0.995 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001001245066 746203101 /nfs/dbraw/zinc/20/31/01/746203101.db2.gz LIXMYTXWFUZICS-ULQDDVLXSA-N 1 1 347.459 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001001295042 746252709 /nfs/dbraw/zinc/25/27/09/746252709.db2.gz DMSMXJRFKLQHJN-KRWDZBQOSA-N 1 1 341.411 0.187 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001001295042 746252713 /nfs/dbraw/zinc/25/27/13/746252713.db2.gz DMSMXJRFKLQHJN-KRWDZBQOSA-N 1 1 341.411 0.187 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnnc3)[C@H]2CC)C1=O ZINC001087738867 746262638 /nfs/dbraw/zinc/26/26/38/746262638.db2.gz XSYRDFYQVDFVON-XHSDSOJGSA-N 1 1 343.431 0.846 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)[C@H]1CC ZINC001087746632 746276329 /nfs/dbraw/zinc/27/63/29/746276329.db2.gz IUICEYJORRHQPM-QLFBSQMISA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)[C@H]1CC ZINC001087746632 746276332 /nfs/dbraw/zinc/27/63/32/746276332.db2.gz IUICEYJORRHQPM-QLFBSQMISA-N 1 1 326.462 0.804 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001007084667 752075906 /nfs/dbraw/zinc/07/59/06/752075906.db2.gz INPYWHVBALGKOM-CABCVRRESA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001007084667 752075915 /nfs/dbraw/zinc/07/59/15/752075915.db2.gz INPYWHVBALGKOM-CABCVRRESA-N 1 1 344.415 0.768 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(n3)OCCO4)[C@@H]2C1 ZINC000978413521 746304388 /nfs/dbraw/zinc/30/43/88/746304388.db2.gz FOKFCAAWTVVSFJ-ZSOGYDGISA-N 1 1 327.384 0.784 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+]([C@@H](C)C(=O)NC)CC2)nc1 ZINC001001383459 746329559 /nfs/dbraw/zinc/32/95/59/746329559.db2.gz LMAFGJZSVBKAJD-ZDUSSCGKSA-N 1 1 326.400 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@@H](C)C(=O)NC)CC2)nc1 ZINC001001383459 746329560 /nfs/dbraw/zinc/32/95/60/746329560.db2.gz LMAFGJZSVBKAJD-ZDUSSCGKSA-N 1 1 326.400 0.559 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001029420048 746337661 /nfs/dbraw/zinc/33/76/61/746337661.db2.gz QRKAYTNFSZNVAQ-OKILXGFUSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC001029420048 746337662 /nfs/dbraw/zinc/33/76/62/746337662.db2.gz QRKAYTNFSZNVAQ-OKILXGFUSA-N 1 1 348.447 0.816 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)[C@@H]2CC)cn1 ZINC001087801325 746361669 /nfs/dbraw/zinc/36/16/69/746361669.db2.gz JEAPSBHLSRXKGW-JKSUJKDBSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H]2CC)cn1 ZINC001087801325 746361674 /nfs/dbraw/zinc/36/16/74/746361674.db2.gz JEAPSBHLSRXKGW-JKSUJKDBSA-N 1 1 328.416 0.734 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)n[nH]1 ZINC001075820355 746382989 /nfs/dbraw/zinc/38/29/89/746382989.db2.gz XPVIWBOVHVBGAY-APHBMKBZSA-N 1 1 328.420 0.846 20 30 ECEDMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)n[nH]1 ZINC001075820355 746382994 /nfs/dbraw/zinc/38/29/94/746382994.db2.gz XPVIWBOVHVBGAY-APHBMKBZSA-N 1 1 328.420 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2cnns2)CC1 ZINC001001490603 746428448 /nfs/dbraw/zinc/42/84/48/746428448.db2.gz AQCGWDOTMHIRAY-INIZCTEOSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2cnns2)CC1 ZINC001001490603 746428451 /nfs/dbraw/zinc/42/84/51/746428451.db2.gz AQCGWDOTMHIRAY-INIZCTEOSA-N 1 1 347.488 0.964 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001059382405 746508551 /nfs/dbraw/zinc/50/85/51/746508551.db2.gz XKESAVNJLBWPDI-ZOBUZTSGSA-N 1 1 343.431 0.543 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001059382405 746508553 /nfs/dbraw/zinc/50/85/53/746508553.db2.gz XKESAVNJLBWPDI-ZOBUZTSGSA-N 1 1 343.431 0.543 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCN(CC(F)(F)F)C3)[C@@H]2C1 ZINC000978622131 746516444 /nfs/dbraw/zinc/51/64/44/746516444.db2.gz BSIIDVJGYATWBF-SYQHCUMBSA-N 1 1 329.366 0.798 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC000978648020 746540814 /nfs/dbraw/zinc/54/08/14/746540814.db2.gz DCOFRRUGGBOGHP-TUVASFSCSA-N 1 1 327.432 0.237 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CCn3cncn3)C2)nc1 ZINC001027656505 746598366 /nfs/dbraw/zinc/59/83/66/746598366.db2.gz RJZKIJJLOAOERT-MRXNPFEDSA-N 1 1 338.415 0.891 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)cn1 ZINC001027656540 746599129 /nfs/dbraw/zinc/59/91/29/746599129.db2.gz SLCZKXNKHKPYEG-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC000978718414 746618626 /nfs/dbraw/zinc/61/86/26/746618626.db2.gz OLMDRIPJZZGCOR-SUJAAXHWSA-N 1 1 330.432 0.805 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC000978718414 746618630 /nfs/dbraw/zinc/61/86/30/746618630.db2.gz OLMDRIPJZZGCOR-SUJAAXHWSA-N 1 1 330.432 0.805 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C)c(C(N)=O)cn3)[C@@H]2C1 ZINC000978739812 746637104 /nfs/dbraw/zinc/63/71/04/746637104.db2.gz FGYQXPHRXBPSMS-QKDCVEJESA-N 1 1 328.416 0.973 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000978732622 746646019 /nfs/dbraw/zinc/64/60/19/746646019.db2.gz NRWHVTUXLHETTA-SGMGOOAPSA-N 1 1 329.404 0.463 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059399793 746653037 /nfs/dbraw/zinc/65/30/37/746653037.db2.gz XCGTUDNFJSNMHP-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059399793 746653042 /nfs/dbraw/zinc/65/30/42/746653042.db2.gz XCGTUDNFJSNMHP-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)CC[C@@H]3C2)[nH]1 ZINC001087938858 746689049 /nfs/dbraw/zinc/68/90/49/746689049.db2.gz NFWBBOBWTSBKMD-OLZOCXBDSA-N 1 1 341.415 0.559 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000984596250 746706070 /nfs/dbraw/zinc/70/60/70/746706070.db2.gz XPSFRCPRLBDHHA-CHWSQXEVSA-N 1 1 347.419 0.959 20 30 ECEDMO CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CSCC#N ZINC001211886507 746739273 /nfs/dbraw/zinc/73/92/73/746739273.db2.gz LRIJMMPUZRAOAX-ZIAGYGMSSA-N 1 1 337.449 0.035 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CSCC#N ZINC001211886507 746739275 /nfs/dbraw/zinc/73/92/75/746739275.db2.gz LRIJMMPUZRAOAX-ZIAGYGMSSA-N 1 1 337.449 0.035 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)CSCC#N ZINC001211886533 746739408 /nfs/dbraw/zinc/73/94/08/746739408.db2.gz MVJZNUIJWDEIDS-HUUCEWRRSA-N 1 1 341.477 0.875 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]32)nn1 ZINC000978817115 746743431 /nfs/dbraw/zinc/74/34/31/746743431.db2.gz MUGWKRHMAPENQR-YHUYYLMFSA-N 1 1 345.447 0.941 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC[C@H]4CCOC4)C[C@H]32)nn1 ZINC000978819059 746745658 /nfs/dbraw/zinc/74/56/58/746745658.db2.gz QOKHNGQBPOLWNT-YHUYYLMFSA-N 1 1 345.447 0.798 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1=O ZINC001087961783 746746188 /nfs/dbraw/zinc/74/61/88/746746188.db2.gz JTMFXKPNEULRPP-IKGGRYGDSA-N 1 1 329.444 0.801 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000978830382 746747226 /nfs/dbraw/zinc/74/72/26/746747226.db2.gz JAZMLSXCIGQNOZ-FPMFFAJLSA-N 1 1 329.404 0.463 20 30 ECEDMO CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)CSCC#N ZINC001211886792 746749692 /nfs/dbraw/zinc/74/96/92/746749692.db2.gz ZNXVRGJJPRQIAO-BFHYXJOUSA-N 1 1 327.450 0.485 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000978829277 746758417 /nfs/dbraw/zinc/75/84/17/746758417.db2.gz DIEARWASIMLGQZ-BZPMIXESSA-N 1 1 329.404 0.463 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC000978855803 746786149 /nfs/dbraw/zinc/78/61/49/746786149.db2.gz UWTXPOGWVVSJAA-ZNMIVQPWSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC000978855803 746786152 /nfs/dbraw/zinc/78/61/52/746786152.db2.gz UWTXPOGWVVSJAA-ZNMIVQPWSA-N 1 1 343.431 0.440 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027683835 746793360 /nfs/dbraw/zinc/79/33/60/746793360.db2.gz QOSMPBMXXLPSPF-NWDGAFQWSA-N 1 1 335.857 0.353 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027683835 746793365 /nfs/dbraw/zinc/79/33/65/746793365.db2.gz QOSMPBMXXLPSPF-NWDGAFQWSA-N 1 1 335.857 0.353 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@@H]2C1 ZINC001087984769 746832534 /nfs/dbraw/zinc/83/25/34/746832534.db2.gz PUXFEQXSKQVJLS-OAGGEKHMSA-N 1 1 335.448 0.448 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C[C@H]3CCc4ncnn43)C2)[nH]1 ZINC001007151140 752130554 /nfs/dbraw/zinc/13/05/54/752130554.db2.gz JSVRITHFKBSBOG-UONOGXRCSA-N 1 1 339.403 0.860 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cn3ccnc3)C2)C1=O ZINC001027702235 746915620 /nfs/dbraw/zinc/91/56/20/746915620.db2.gz YNEUSYDCJQATNN-HZPDHXFCSA-N 1 1 345.447 0.593 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001087993054 746952362 /nfs/dbraw/zinc/95/23/62/746952362.db2.gz XTFHJEQFGCJXPU-OWCLPIDISA-N 1 1 342.443 0.957 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c[nH]1 ZINC001007157055 752138416 /nfs/dbraw/zinc/13/84/16/752138416.db2.gz RFRRSLFXZYPXOU-DZGCQCFKSA-N 1 1 343.431 0.997 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059446237 746979963 /nfs/dbraw/zinc/97/99/63/746979963.db2.gz NIWWYWOVNSTZMQ-IHRRRGAJSA-N 1 1 328.420 0.704 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c(cn3)nc[nH]c4=O)[C@@H]2C1 ZINC000979043574 747073834 /nfs/dbraw/zinc/07/38/34/747073834.db2.gz JTNKZSSSTUITGY-XYYAHUGASA-N 1 1 325.372 0.824 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C(=O)NC)n3)[C@@H]2C1 ZINC000979032247 747080801 /nfs/dbraw/zinc/08/08/01/747080801.db2.gz OBHHSPOOCMWXEV-ZSOGYDGISA-N 1 1 326.400 0.372 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)n1 ZINC001059457644 747083455 /nfs/dbraw/zinc/08/34/55/747083455.db2.gz MNOCDBYRDXNKCW-ZQDZILKHSA-N 1 1 340.431 0.846 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CCC)n3)[C@@H]2C1 ZINC000979050304 747119760 /nfs/dbraw/zinc/11/97/60/747119760.db2.gz TWZDVACGZZTMAW-QKDCVEJESA-N 1 1 328.416 0.584 20 30 ECEDMO C=CCC1(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)CCC1 ZINC001098716212 747200393 /nfs/dbraw/zinc/20/03/93/747200393.db2.gz UPXLWLVGEFNGHB-OAHLLOKOSA-N 1 1 333.436 0.880 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnccn2)C1=O ZINC001027731256 747212822 /nfs/dbraw/zinc/21/28/22/747212822.db2.gz IIPYKRIOEKVBRZ-DZGCQCFKSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnccn2)C1=O ZINC001027731256 747212829 /nfs/dbraw/zinc/21/28/29/747212829.db2.gz IIPYKRIOEKVBRZ-DZGCQCFKSA-N 1 1 329.404 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnco2)[C@@H]1CC ZINC000985048360 747302141 /nfs/dbraw/zinc/30/21/41/747302141.db2.gz GAGLHKVDUIWVGR-ZNMIVQPWSA-N 1 1 344.415 0.882 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnco2)[C@@H]1CC ZINC000985048360 747302151 /nfs/dbraw/zinc/30/21/51/747302151.db2.gz GAGLHKVDUIWVGR-ZNMIVQPWSA-N 1 1 344.415 0.882 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001002453650 747366183 /nfs/dbraw/zinc/36/61/83/747366183.db2.gz ZRVHFWMNUYRXGO-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2nc(C)ccc2C#N)C1 ZINC001105409466 747427797 /nfs/dbraw/zinc/42/77/97/747427797.db2.gz IPQHVXKZTMQMTL-MRXNPFEDSA-N 1 1 345.447 0.877 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2nc(C)ccc2C#N)C1 ZINC001105409466 747427799 /nfs/dbraw/zinc/42/77/99/747427799.db2.gz IPQHVXKZTMQMTL-MRXNPFEDSA-N 1 1 345.447 0.877 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCOC4)CC[C@@H]3C2)nn1 ZINC001088133387 747461129 /nfs/dbraw/zinc/46/11/29/747461129.db2.gz FFWIKVZVZKXLPL-XHSDSOJGSA-N 1 1 345.447 0.895 20 30 ECEDMO C[C@H]([NH2+]Cc1ccon1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979268390 747471355 /nfs/dbraw/zinc/47/13/55/747471355.db2.gz KOWGRRNACALEDU-NHYWBVRUSA-N 1 1 329.360 0.894 20 30 ECEDMO Cc1nonc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979262397 747487001 /nfs/dbraw/zinc/48/70/01/747487001.db2.gz CSCXKXPBAUPBAH-ABAIWWIYSA-N 1 1 344.375 0.597 20 30 ECEDMO C[C@@H]([NH2+]Cc1cnon1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979300011 747543055 /nfs/dbraw/zinc/54/30/55/747543055.db2.gz ZKTBFSYZWVKDCV-QMTHXVAHSA-N 1 1 330.348 0.289 20 30 ECEDMO C[C@H]([NH2+]Cc1nncs1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979298066 747566436 /nfs/dbraw/zinc/56/64/36/747566436.db2.gz WJBXEUPZHQVFQS-GXFFZTMASA-N 1 1 346.416 0.757 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cnn(C)c3)CC2)C1=O ZINC000985255948 747598855 /nfs/dbraw/zinc/59/88/55/747598855.db2.gz GRMUBRPEHYENPA-INIZCTEOSA-N 1 1 345.447 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccon1 ZINC001002637817 747600412 /nfs/dbraw/zinc/60/04/12/747600412.db2.gz KCZKHNZCGXOXGL-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccon1 ZINC001002637817 747600415 /nfs/dbraw/zinc/60/04/15/747600415.db2.gz KCZKHNZCGXOXGL-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1cocn1 ZINC001002642770 747607849 /nfs/dbraw/zinc/60/78/49/747607849.db2.gz UVHIQEBDYQMMAG-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1cocn1 ZINC001002642770 747607853 /nfs/dbraw/zinc/60/78/53/747607853.db2.gz UVHIQEBDYQMMAG-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cc[nH]n3)CC2)C1=O ZINC000985294217 747655846 /nfs/dbraw/zinc/65/58/46/747655846.db2.gz SXLUAACDQDUSKM-OAHLLOKOSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)c3ccn[nH]3)CC2)C1=O ZINC000985294217 747655854 /nfs/dbraw/zinc/65/58/54/747655854.db2.gz SXLUAACDQDUSKM-OAHLLOKOSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3ccn[nH]3)CC2)C1=O ZINC000985294217 747655860 /nfs/dbraw/zinc/65/58/60/747655860.db2.gz SXLUAACDQDUSKM-OAHLLOKOSA-N 1 1 331.420 0.733 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)NC)CC[C@@H]3C2)nc1 ZINC001088174401 747676848 /nfs/dbraw/zinc/67/68/48/747676848.db2.gz UZVMXEQHKGOWFH-IMJJTQAJSA-N 1 1 340.427 0.591 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@@H]2C1 ZINC001088187061 747704679 /nfs/dbraw/zinc/70/46/79/747704679.db2.gz FKHOACMNQPJURV-IKGGRYGDSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccsn2)C1 ZINC001002732248 747713284 /nfs/dbraw/zinc/71/32/84/747713284.db2.gz TVNHXVMUEDKPKQ-AWEZNQCLSA-N 1 1 332.429 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccsn2)C1 ZINC001002732248 747713287 /nfs/dbraw/zinc/71/32/87/747713287.db2.gz TVNHXVMUEDKPKQ-AWEZNQCLSA-N 1 1 332.429 0.429 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nncn4C3)C[C@@H]2C1 ZINC001088210755 747744667 /nfs/dbraw/zinc/74/46/67/747744667.db2.gz ZSDWSEZCJRBVKJ-OAGGEKHMSA-N 1 1 327.432 0.644 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCCO)CC[C@@H]3C2)CC1 ZINC001088211813 747745470 /nfs/dbraw/zinc/74/54/70/747745470.db2.gz BAOWBTXUKUHWBB-MSOLQXFVSA-N 1 1 333.476 0.494 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](CCCO)CC[C@@H]3C2)CC1 ZINC001088211813 747745475 /nfs/dbraw/zinc/74/54/75/747745475.db2.gz BAOWBTXUKUHWBB-MSOLQXFVSA-N 1 1 333.476 0.494 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCCO)CC[C@@H]3C2)CC1 ZINC001088211813 747745481 /nfs/dbraw/zinc/74/54/81/747745481.db2.gz BAOWBTXUKUHWBB-MSOLQXFVSA-N 1 1 333.476 0.494 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)c2ccc(C#N)nn2)C1 ZINC001112181033 747763750 /nfs/dbraw/zinc/76/37/50/747763750.db2.gz BCTJXTXRMVNGFQ-AWEZNQCLSA-N 1 1 330.436 0.975 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)c1cnc(C#N)cn1 ZINC001112181187 747768434 /nfs/dbraw/zinc/76/84/34/747768434.db2.gz GJQJXRPZTQYVOF-ZFWWWQNUSA-N 1 1 330.436 0.831 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3nnc(C)[nH]3)CC2)C1 ZINC001088233745 747797073 /nfs/dbraw/zinc/79/70/73/747797073.db2.gz YPQFCYUIGACSBD-INIZCTEOSA-N 1 1 345.447 0.618 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001088234457 747803174 /nfs/dbraw/zinc/80/31/74/747803174.db2.gz SMCXPJOPOHLQMX-HNNXBMFYSA-N 1 1 334.424 0.189 20 30 ECEDMO C[N@@H+](C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)[C@H]1CCCNC1=O ZINC000985367609 747806348 /nfs/dbraw/zinc/80/63/48/747806348.db2.gz RASROUSLSOZKGR-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001088236271 747809174 /nfs/dbraw/zinc/80/91/74/747809174.db2.gz PWWWGQFBPCFVEQ-IAGOWNOFSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001088235702 747818913 /nfs/dbraw/zinc/81/89/13/747818913.db2.gz ZYSALJYWOQPWKU-HZPDHXFCSA-N 1 1 335.448 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2[nH]cnc2CC)C1 ZINC001002825290 747837245 /nfs/dbraw/zinc/83/72/45/747837245.db2.gz AREKCIKJMPALHO-HNNXBMFYSA-N 1 1 343.431 0.258 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2[nH]cnc2CC)C1 ZINC001002825290 747837251 /nfs/dbraw/zinc/83/72/51/747837251.db2.gz AREKCIKJMPALHO-HNNXBMFYSA-N 1 1 343.431 0.258 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001088237153 747841013 /nfs/dbraw/zinc/84/10/13/747841013.db2.gz MFCPFYGBXWFABS-INIZCTEOSA-N 1 1 347.459 0.605 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001088237219 747841725 /nfs/dbraw/zinc/84/17/25/747841725.db2.gz NJJJEIVZNAPIQE-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 ZINC001088237218 747842060 /nfs/dbraw/zinc/84/20/60/747842060.db2.gz NJJJEIVZNAPIQE-IAGOWNOFSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CCCO2)C1 ZINC001002829801 747845834 /nfs/dbraw/zinc/84/58/34/747845834.db2.gz OOPBDTZLVSPSOG-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CCCO2)C1 ZINC001002829801 747845846 /nfs/dbraw/zinc/84/58/46/747845846.db2.gz OOPBDTZLVSPSOG-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]Cc3cnon3)C2)nc1 ZINC000979442362 747848780 /nfs/dbraw/zinc/84/87/80/747848780.db2.gz GJJCUIGMTNCFTB-BLLLJJGKSA-N 1 1 341.371 0.465 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 ZINC001002832524 747851858 /nfs/dbraw/zinc/85/18/58/747851858.db2.gz OALOHAVKSDPDQO-OAGGEKHMSA-N 1 1 326.400 0.853 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000988500958 752219323 /nfs/dbraw/zinc/21/93/23/752219323.db2.gz LSQANDKEVMALGX-WCQYABFASA-N 1 1 342.407 0.676 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001088240228 747943017 /nfs/dbraw/zinc/94/30/17/747943017.db2.gz SEKBUFDKFZEEAS-QGZVFWFLSA-N 1 1 345.447 0.631 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001029641391 747959009 /nfs/dbraw/zinc/95/90/09/747959009.db2.gz IAFICNPUQJRNPG-MRXNPFEDSA-N 1 1 339.403 0.525 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3ncc[nH]3)CC2)C1=O ZINC000985421930 747963897 /nfs/dbraw/zinc/96/38/97/747963897.db2.gz UNZFUTYEAHTGPV-AWEZNQCLSA-N 1 1 331.420 0.733 20 30 ECEDMO C[N@@H+](CC(=O)N1CCOCC1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000985429157 747984784 /nfs/dbraw/zinc/98/47/84/747984784.db2.gz MSNXEYAWFDWBQG-UHFFFAOYSA-N 1 1 333.432 0.181 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)c1 ZINC001027813453 748004931 /nfs/dbraw/zinc/00/49/31/748004931.db2.gz UDMNKPGGRMRDBV-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)c1 ZINC001027813453 748004936 /nfs/dbraw/zinc/00/49/36/748004936.db2.gz UDMNKPGGRMRDBV-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813783 748011259 /nfs/dbraw/zinc/01/12/59/748011259.db2.gz BGGKAPWVVHBOIZ-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813783 748011263 /nfs/dbraw/zinc/01/12/63/748011263.db2.gz BGGKAPWVVHBOIZ-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000979555940 748023683 /nfs/dbraw/zinc/02/36/83/748023683.db2.gz SIFHWPMDKHWZPC-FPCVCCKLSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000979555940 748023689 /nfs/dbraw/zinc/02/36/89/748023689.db2.gz SIFHWPMDKHWZPC-FPCVCCKLSA-N 1 1 333.432 0.132 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979565674 748051452 /nfs/dbraw/zinc/05/14/52/748051452.db2.gz JJOMRCXSGQRWSY-UXIGCNINSA-N 1 1 329.404 0.605 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@H]1CCC(=O)NC1=O ZINC001029690954 748073988 /nfs/dbraw/zinc/07/39/88/748073988.db2.gz LAVLMYISJLSFAB-FZMZJTMJSA-N 1 1 343.387 0.085 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001029708414 748108819 /nfs/dbraw/zinc/10/88/19/748108819.db2.gz QISPUGLOQGMXCF-SWLSCSKDSA-N 1 1 329.404 0.511 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001029708413 748109653 /nfs/dbraw/zinc/10/96/53/748109653.db2.gz QISPUGLOQGMXCF-IUODEOHRSA-N 1 1 329.404 0.511 20 30 ECEDMO CC#CC[NH2+][C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C(F)(F)F ZINC001112186017 748119699 /nfs/dbraw/zinc/11/96/99/748119699.db2.gz RORQLDZZFPFHCQ-VXGBXAGGSA-N 1 1 331.338 0.515 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN([C@@H](C)c2nncn2C)CC1 ZINC001003056209 748124331 /nfs/dbraw/zinc/12/43/31/748124331.db2.gz NCHUJEXNWFGSOI-HOCLYGCPSA-N 1 1 344.463 0.554 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN([C@@H](C)c2nncn2C)CC1 ZINC001003056209 748124335 /nfs/dbraw/zinc/12/43/35/748124335.db2.gz NCHUJEXNWFGSOI-HOCLYGCPSA-N 1 1 344.463 0.554 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001029724724 748160346 /nfs/dbraw/zinc/16/03/46/748160346.db2.gz NZLPGDIPDZHHPB-JKSUJKDBSA-N 1 1 342.399 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2ncccn2)C1 ZINC001029758050 748271339 /nfs/dbraw/zinc/27/13/39/748271339.db2.gz PRULYFFJRZUBHY-IRXDYDNUSA-N 1 1 341.459 0.855 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001027831249 748276764 /nfs/dbraw/zinc/27/67/64/748276764.db2.gz OORGCMCOVFRVIX-OAHLLOKOSA-N 1 1 341.419 0.989 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cccn4ccnc34)C2)nn1 ZINC001105344278 748307609 /nfs/dbraw/zinc/30/76/09/748307609.db2.gz WRUGKQDUWHSFGA-UHFFFAOYSA-N 1 1 337.387 0.899 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]2C1 ZINC000979736830 748314704 /nfs/dbraw/zinc/31/47/04/748314704.db2.gz XULBGZBCVCRTKW-ZNMIVQPWSA-N 1 1 344.463 0.821 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001007298544 752266001 /nfs/dbraw/zinc/26/60/01/752266001.db2.gz BGEQZCZKQGUVMV-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001007298544 752266002 /nfs/dbraw/zinc/26/60/02/752266002.db2.gz BGEQZCZKQGUVMV-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC000979795385 748411744 /nfs/dbraw/zinc/41/17/44/748411744.db2.gz LVKVGYPYSFKEAL-SOUVJXGZSA-N 1 1 330.432 0.990 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)cc1 ZINC001029797858 748457101 /nfs/dbraw/zinc/45/71/01/748457101.db2.gz CJMHGRYWKYXVDX-NVXWUHKLSA-N 1 1 325.412 0.950 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001088281786 748482211 /nfs/dbraw/zinc/48/22/11/748482211.db2.gz TVJAMZQANUFKDS-ZIAGYGMSSA-N 1 1 346.435 0.829 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2coc(C)n2)C1=O ZINC001027843265 748514616 /nfs/dbraw/zinc/51/46/16/748514616.db2.gz UAJBEMBWFLAKKX-UKRRQHHQSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2coc(C)n2)C1=O ZINC001027843265 748514623 /nfs/dbraw/zinc/51/46/23/748514623.db2.gz UAJBEMBWFLAKKX-UKRRQHHQSA-N 1 1 332.404 0.964 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccccc2)CC1)[C@H]1CCNC1=O ZINC001003425095 748540589 /nfs/dbraw/zinc/54/05/89/748540589.db2.gz AOUAUHBVRBFNMH-KRWDZBQOSA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000979855929 748559236 /nfs/dbraw/zinc/55/92/36/748559236.db2.gz HKGRLTFNPVCXQH-QHSBEEBCSA-N 1 1 343.431 0.851 20 30 ECEDMO C=C(Br)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000985575937 748585165 /nfs/dbraw/zinc/58/51/65/748585165.db2.gz HTNQBKIMKMMPRN-LBPRGKRZSA-N 1 1 344.253 0.954 20 30 ECEDMO C=C(Br)C[N@H+](C)C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000985575937 748585174 /nfs/dbraw/zinc/58/51/74/748585174.db2.gz HTNQBKIMKMMPRN-LBPRGKRZSA-N 1 1 344.253 0.954 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001003531606 748650376 /nfs/dbraw/zinc/65/03/76/748650376.db2.gz YRMPWMJNWSERRX-KRWDZBQOSA-N 1 1 341.411 0.187 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001003531606 748650380 /nfs/dbraw/zinc/65/03/80/748650380.db2.gz YRMPWMJNWSERRX-KRWDZBQOSA-N 1 1 341.411 0.187 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000979967435 748759949 /nfs/dbraw/zinc/75/99/49/748759949.db2.gz LLJBHKXPPUNUPO-XIRDDKMYSA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000979967435 748759950 /nfs/dbraw/zinc/75/99/50/748759950.db2.gz LLJBHKXPPUNUPO-XIRDDKMYSA-N 1 1 342.443 0.747 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC001003649047 748761885 /nfs/dbraw/zinc/76/18/85/748761885.db2.gz DLUGIMUWFMQYRD-CVEARBPZSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nc(OC)cc(OC)n3)C[C@H]2C1 ZINC000979985545 748779990 /nfs/dbraw/zinc/77/99/90/748779990.db2.gz KLKCFPXMNVLGLI-MELADBBJSA-N 1 1 344.415 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cccnc2C)C1 ZINC001003683035 748791427 /nfs/dbraw/zinc/79/14/27/748791427.db2.gz OSNIKHDBBGVTBO-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cccnc2C)C1 ZINC001003683035 748791434 /nfs/dbraw/zinc/79/14/34/748791434.db2.gz OSNIKHDBBGVTBO-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059610705 748797620 /nfs/dbraw/zinc/79/76/20/748797620.db2.gz LAIWJRYCMVAMQW-HOTGVXAUSA-N 1 1 335.448 0.331 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059610705 748797625 /nfs/dbraw/zinc/79/76/25/748797625.db2.gz LAIWJRYCMVAMQW-HOTGVXAUSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)[C@@H]2C1 ZINC001075873290 748866586 /nfs/dbraw/zinc/86/65/86/748866586.db2.gz NOYADJBETSFGSX-WCQYABFASA-N 1 1 325.372 0.453 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000985704119 748896075 /nfs/dbraw/zinc/89/60/75/748896075.db2.gz OHXVLULSRJEXFH-UHFFFAOYSA-N 1 1 328.800 0.214 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cnn(C)n3)C2)nn1 ZINC001029859519 748951200 /nfs/dbraw/zinc/95/12/00/748951200.db2.gz FEEWLOWVMYXXSG-ZDUSSCGKSA-N 1 1 344.423 0.187 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cnn(C)n3)C2)nn1 ZINC001029859519 748951207 /nfs/dbraw/zinc/95/12/07/748951207.db2.gz FEEWLOWVMYXXSG-ZDUSSCGKSA-N 1 1 344.423 0.187 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](CN(C)Cc3n[nH]c(C)n3)C2)nn1 ZINC001029859991 748959243 /nfs/dbraw/zinc/95/92/43/748959243.db2.gz KOLGQTQBJHGECV-CYBMUJFWSA-N 1 1 344.423 0.485 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001003888038 749013535 /nfs/dbraw/zinc/01/35/35/749013535.db2.gz JXEXHKMKBULREP-UHFFFAOYSA-N 1 1 349.394 0.869 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccnc4c3nnn4C)C[C@@H]2C1 ZINC000980177652 749111109 /nfs/dbraw/zinc/11/11/09/749111109.db2.gz YOZHHWPWLABYGX-BFHYXJOUSA-N 1 1 338.415 0.827 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(=O)n(CC)n3)C[C@H]2C1 ZINC000980194996 749129169 /nfs/dbraw/zinc/12/91/69/749129169.db2.gz TZSGLVWSRLFKGV-KKUMJFAQSA-N 1 1 328.416 0.727 20 30 ECEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@H]3C2)ccc1F ZINC000980187913 749141528 /nfs/dbraw/zinc/14/15/28/749141528.db2.gz UTUZGKRYPJWVLI-QEJZJMRPSA-N 1 1 344.390 0.899 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059654487 749150463 /nfs/dbraw/zinc/15/04/63/749150463.db2.gz HTPPRGHPKWESLB-MJBXVCDLSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059654487 749150467 /nfs/dbraw/zinc/15/04/67/749150467.db2.gz HTPPRGHPKWESLB-MJBXVCDLSA-N 1 1 330.392 0.128 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001027890236 749153588 /nfs/dbraw/zinc/15/35/88/749153588.db2.gz UFQMDRAQSQAPIA-OAGGEKHMSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001027890236 749153595 /nfs/dbraw/zinc/15/35/95/749153595.db2.gz UFQMDRAQSQAPIA-OAGGEKHMSA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3nonc3C)CC2)C1=O ZINC000985812329 749153694 /nfs/dbraw/zinc/15/36/94/749153694.db2.gz AYONAELGTUVQHE-AWEZNQCLSA-N 1 1 347.419 0.701 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1nccnc1C#N ZINC001126254692 749154364 /nfs/dbraw/zinc/15/43/64/749154364.db2.gz LVWMIKWSMANEAZ-AWEZNQCLSA-N 1 1 332.408 0.011 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccnc4nc(C)nn43)C[C@H]2C1 ZINC000980207446 749185627 /nfs/dbraw/zinc/18/56/27/749185627.db2.gz JOZCRDMOZCGWEO-SOUVJXGZSA-N 1 1 338.415 0.896 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)/C=C/C3CC3)CC2)CC1 ZINC000985830111 749194101 /nfs/dbraw/zinc/19/41/01/749194101.db2.gz XUHGEFFKEYTGQO-VOTSOKGWSA-N 1 1 344.459 0.858 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC000980241767 749246513 /nfs/dbraw/zinc/24/65/13/749246513.db2.gz GFEGPFAHVGQSLP-AVGNSLFASA-N 1 1 329.404 0.592 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC000980256628 749263897 /nfs/dbraw/zinc/26/38/97/749263897.db2.gz UXAYXGSCMFMSAM-KKUMJFAQSA-N 1 1 331.416 0.375 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)OCCOC)C2)nn1 ZINC001098739070 749311469 /nfs/dbraw/zinc/31/14/69/749311469.db2.gz CIUQIXKEALZXAQ-ZFWWWQNUSA-N 1 1 337.424 0.379 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000980346442 749402225 /nfs/dbraw/zinc/40/22/25/749402225.db2.gz NLAAMCLPLBIXSN-WDEREUQCSA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000980346442 749402226 /nfs/dbraw/zinc/40/22/26/749402226.db2.gz NLAAMCLPLBIXSN-WDEREUQCSA-N 1 1 328.800 0.260 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@H+]2Cc2nnnn2C)CC1 ZINC001004394681 749462422 /nfs/dbraw/zinc/46/24/22/749462422.db2.gz HEDXRFDPODEUIS-JSGCOSHPSA-N 1 1 331.424 0.573 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@H+]2Cc2nc(=O)n(C)[nH]2)CC1 ZINC001004398696 749465336 /nfs/dbraw/zinc/46/53/36/749465336.db2.gz VOVFSFAFWIIDGO-JSGCOSHPSA-N 1 1 346.435 0.471 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001004441712 749501563 /nfs/dbraw/zinc/50/15/63/749501563.db2.gz JVFLADFPDHLAHY-CQSZACIVSA-N 1 1 346.435 0.266 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001027929372 749513231 /nfs/dbraw/zinc/51/32/31/749513231.db2.gz IOFFKSVLOHGPAI-GFCCVEGCSA-N 1 1 327.388 0.891 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001027929373 749513902 /nfs/dbraw/zinc/51/39/02/749513902.db2.gz IOFFKSVLOHGPAI-LBPRGKRZSA-N 1 1 327.388 0.891 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001004458449 749525494 /nfs/dbraw/zinc/52/54/94/749525494.db2.gz OKICMXIMPURGFA-GJZGRUSLSA-N 1 1 346.431 0.311 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001004502988 749575438 /nfs/dbraw/zinc/57/54/38/749575438.db2.gz WILFYXIBCORVFI-KRWDZBQOSA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001027935068 749602691 /nfs/dbraw/zinc/60/26/91/749602691.db2.gz CUFUKOITUMEDCA-HNNXBMFYSA-N 1 1 345.447 0.894 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001004535703 749602804 /nfs/dbraw/zinc/60/28/04/749602804.db2.gz KUTNTGPNERINPN-BMFZPTHFSA-N 1 1 335.448 0.494 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)n1C ZINC000986178608 749638232 /nfs/dbraw/zinc/63/82/32/749638232.db2.gz VIPKTSHONAKYQC-RISCZKNCSA-N 1 1 341.419 0.970 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000986184201 749650686 /nfs/dbraw/zinc/65/06/86/749650686.db2.gz LTDDHOOFGUOERB-YPMHNXCESA-N 1 1 342.407 0.847 20 30 ECEDMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000980510501 749658617 /nfs/dbraw/zinc/65/86/17/749658617.db2.gz YWONRDFVWPCABC-GHMZBOCLSA-N 1 1 328.380 0.050 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ncccn1 ZINC001027943989 749677085 /nfs/dbraw/zinc/67/70/85/749677085.db2.gz RGCGTPYTTHZPIS-HOTGVXAUSA-N 1 1 327.432 0.655 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ncccn1 ZINC001027943989 749677093 /nfs/dbraw/zinc/67/70/93/749677093.db2.gz RGCGTPYTTHZPIS-HOTGVXAUSA-N 1 1 327.432 0.655 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001004619453 749696526 /nfs/dbraw/zinc/69/65/26/749696526.db2.gz CJMMFPZZFOVYHJ-OAHLLOKOSA-N 1 1 346.431 0.217 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004637835 749717226 /nfs/dbraw/zinc/71/72/26/749717226.db2.gz XHPJGGBXQZSJJC-LSDHHAIUSA-N 1 1 333.432 0.928 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001058844111 750049916 /nfs/dbraw/zinc/04/99/16/750049916.db2.gz SYHHJXHUYNHZRX-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)[C@@H]1CCCNC1=O ZINC001029957089 750072149 /nfs/dbraw/zinc/07/21/49/750072149.db2.gz RXWAPWJIJYKAJR-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027973387 750112847 /nfs/dbraw/zinc/11/28/47/750112847.db2.gz PTYWBINDUKXGBW-GFCCVEGCSA-N 1 1 325.390 0.145 20 30 ECEDMO CC(C)OCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 ZINC001098633885 750123252 /nfs/dbraw/zinc/12/32/52/750123252.db2.gz NGGSWJDXUNGVFL-UKRRQHHQSA-N 1 1 334.424 0.726 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@H]2C1 ZINC000986597039 750166850 /nfs/dbraw/zinc/16/68/50/750166850.db2.gz GOMIKUQFOHLGPB-MCIONIFRSA-N 1 1 329.404 0.809 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001058850272 750192479 /nfs/dbraw/zinc/19/24/79/750192479.db2.gz KBNHAXKTTSTYQX-UHFFFAOYSA-N 1 1 337.464 0.315 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001028012234 750370530 /nfs/dbraw/zinc/37/05/30/750370530.db2.gz IKGVFZWTNOQQAJ-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1=O ZINC000980974577 750423346 /nfs/dbraw/zinc/42/33/46/750423346.db2.gz XLNXSUSWHYZOES-GJZGRUSLSA-N 1 1 349.431 0.261 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1=O ZINC000980974577 750423348 /nfs/dbraw/zinc/42/33/48/750423348.db2.gz XLNXSUSWHYZOES-GJZGRUSLSA-N 1 1 349.431 0.261 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001028059795 750436674 /nfs/dbraw/zinc/43/66/74/750436674.db2.gz CCZQQXAWOCCYFA-CYBMUJFWSA-N 1 1 344.423 0.854 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)c(F)c1 ZINC001028073191 750489742 /nfs/dbraw/zinc/48/97/42/750489742.db2.gz RSFGBBBAIACAGD-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)c(F)c1 ZINC001028073191 750489744 /nfs/dbraw/zinc/48/97/44/750489744.db2.gz RSFGBBBAIACAGD-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)s1 ZINC001028073531 750506361 /nfs/dbraw/zinc/50/63/61/750506361.db2.gz VDIYCEKONQWIHT-BXUZGUMPSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)s1 ZINC001028073531 750506365 /nfs/dbraw/zinc/50/63/65/750506365.db2.gz VDIYCEKONQWIHT-BXUZGUMPSA-N 1 1 332.429 0.836 20 30 ECEDMO C#CCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001005682314 750523457 /nfs/dbraw/zinc/52/34/57/750523457.db2.gz SWUMACULJIEZIX-AWEZNQCLSA-N 1 1 326.462 0.757 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000981370547 750620316 /nfs/dbraw/zinc/62/03/16/750620316.db2.gz TYBIMIGLMWYGAV-NWANDNLSSA-N 1 1 343.431 0.853 20 30 ECEDMO C=CCn1cc(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001005825533 750692951 /nfs/dbraw/zinc/69/29/51/750692951.db2.gz YATWJYQCZZENFX-WFASDCNBSA-N 1 1 346.435 0.135 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC000981672648 750953007 /nfs/dbraw/zinc/95/30/07/750953007.db2.gz XMBJZIBQKZSHGK-GJZGRUSLSA-N 1 1 332.448 0.987 20 30 ECEDMO CCc1nc(NC[C@@H](O)CNC(=O)c2c[nH]c(C#N)c2)cc(C)[nH+]1 ZINC001105830804 762083157 /nfs/dbraw/zinc/08/31/57/762083157.db2.gz NJYAVRVFULRKMB-CYBMUJFWSA-N 1 1 328.376 0.750 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)nn1 ZINC001105358012 751101903 /nfs/dbraw/zinc/10/19/03/751101903.db2.gz QLQCRHRDIAARAS-QGZVFWFLSA-N 1 1 346.435 0.196 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCCNC2=O)c1 ZINC001028127867 751134678 /nfs/dbraw/zinc/13/46/78/751134678.db2.gz YGNLETIOLLXSJR-HOTGVXAUSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCCNC2=O)c1 ZINC001028127867 751134680 /nfs/dbraw/zinc/13/46/80/751134680.db2.gz YGNLETIOLLXSJR-HOTGVXAUSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CC(F)(F)F)C1 ZINC001006320198 751242477 /nfs/dbraw/zinc/24/24/77/751242477.db2.gz OLWKNOGYDICMNO-YPMHNXCESA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CC(F)(F)F)C1 ZINC001006320198 751242479 /nfs/dbraw/zinc/24/24/79/751242479.db2.gz OLWKNOGYDICMNO-YPMHNXCESA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccncn2)C1 ZINC001006320969 751243274 /nfs/dbraw/zinc/24/32/74/751243274.db2.gz QDVMPTOAJVUYKI-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccncn2)C1 ZINC001006320969 751243275 /nfs/dbraw/zinc/24/32/75/751243275.db2.gz QDVMPTOAJVUYKI-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cn[nH]c2)C1 ZINC001006322037 751243998 /nfs/dbraw/zinc/24/39/98/751243998.db2.gz UDVNOCYXKRUCSL-WFASDCNBSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cn[nH]c2)C1 ZINC001006322037 751244001 /nfs/dbraw/zinc/24/40/01/751244001.db2.gz UDVNOCYXKRUCSL-WFASDCNBSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2cc[nH]n2)C1 ZINC001006322072 751244014 /nfs/dbraw/zinc/24/40/14/751244014.db2.gz ULILINUIECSNMO-CJNGLKHVSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2cc[nH]n2)C1 ZINC001006322072 751244015 /nfs/dbraw/zinc/24/40/15/751244015.db2.gz ULILINUIECSNMO-CJNGLKHVSA-N 1 1 343.431 0.013 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC000981897346 751251019 /nfs/dbraw/zinc/25/10/19/751251019.db2.gz NNFFPXNDQSKSCZ-CABCVRRESA-N 1 1 335.448 0.910 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@@H]3CCCNC3=O)CC2)c1 ZINC000981923071 751269804 /nfs/dbraw/zinc/26/98/04/751269804.db2.gz HTDOEKSUJMISPS-MRXNPFEDSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)c1 ZINC000981923071 751269809 /nfs/dbraw/zinc/26/98/09/751269809.db2.gz HTDOEKSUJMISPS-MRXNPFEDSA-N 1 1 326.400 0.489 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001006373343 751304195 /nfs/dbraw/zinc/30/41/95/751304195.db2.gz SJGBZVUQZPMXMZ-BLLLJJGKSA-N 1 1 343.431 0.947 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001059845100 751335600 /nfs/dbraw/zinc/33/56/00/751335600.db2.gz SJXNWTAYDZJION-BETUJISGSA-N 1 1 339.403 0.849 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)cc1 ZINC001007344299 752311863 /nfs/dbraw/zinc/31/18/63/752311863.db2.gz OPQRILKGGJKFPY-OAHLLOKOSA-N 1 1 325.376 0.326 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cccn(C)c3=O)C2)nn1 ZINC001105363328 752349460 /nfs/dbraw/zinc/34/94/60/752349460.db2.gz UVQBKTZFCGQBNQ-UHFFFAOYSA-N 1 1 342.403 0.340 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000988624621 752403049 /nfs/dbraw/zinc/40/30/49/752403049.db2.gz JIEMEWABQLQSRK-UKRRQHHQSA-N 1 1 336.436 0.174 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000988624621 752403052 /nfs/dbraw/zinc/40/30/52/752403052.db2.gz JIEMEWABQLQSRK-UKRRQHHQSA-N 1 1 336.436 0.174 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001007463290 752411340 /nfs/dbraw/zinc/41/13/40/752411340.db2.gz ZYGSUYZCUZGVHG-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001059910733 752426665 /nfs/dbraw/zinc/42/66/65/752426665.db2.gz WMJPWIIWFYHMBX-UKRRQHHQSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1OC ZINC001212032077 752429193 /nfs/dbraw/zinc/42/91/93/752429193.db2.gz IUKPOHQGTJAJRC-RCCFBDPRSA-N 1 1 348.443 0.608 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001007487427 752440126 /nfs/dbraw/zinc/44/01/26/752440126.db2.gz IFLXSZPPTBOSGC-GDBMZVCRSA-N 1 1 346.431 0.893 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001007487427 752440128 /nfs/dbraw/zinc/44/01/28/752440128.db2.gz IFLXSZPPTBOSGC-GDBMZVCRSA-N 1 1 346.431 0.893 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCC(=O)N(C)C)C2)nn1 ZINC001105365490 752446082 /nfs/dbraw/zinc/44/60/82/752446082.db2.gz WSTMYSXDDHIOQG-UHFFFAOYSA-N 1 1 334.424 0.196 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC(=O)N3C)C2)nn1 ZINC001105368253 752468399 /nfs/dbraw/zinc/46/83/99/752468399.db2.gz SFJUSJPYNWYTGY-HNNXBMFYSA-N 1 1 346.435 0.338 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ncnn2CC)C1 ZINC001007519377 752475535 /nfs/dbraw/zinc/47/55/35/752475535.db2.gz PUEKYFKTTMSRHC-HOTGVXAUSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ncnn2CC)C1 ZINC001007519377 752475541 /nfs/dbraw/zinc/47/55/41/752475541.db2.gz PUEKYFKTTMSRHC-HOTGVXAUSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nonc2C)C1 ZINC001007519664 752477340 /nfs/dbraw/zinc/47/73/40/752477340.db2.gz STXQPNQIVGDYBZ-ZBFHGGJFSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nonc2C)C1 ZINC001007519664 752477342 /nfs/dbraw/zinc/47/73/42/752477342.db2.gz STXQPNQIVGDYBZ-ZBFHGGJFSA-N 1 1 331.420 0.556 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cnccn3)C2)C1=O ZINC001028382252 752510009 /nfs/dbraw/zinc/51/00/09/752510009.db2.gz RBWJMZRUHWZPTI-UKRRQHHQSA-N 1 1 329.404 0.315 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nnn(C)c3C)C2)nn1 ZINC001098644504 752521292 /nfs/dbraw/zinc/52/12/92/752521292.db2.gz CDCGHJXYDWZLSG-CYBMUJFWSA-N 1 1 330.396 0.078 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937850601 752561812 /nfs/dbraw/zinc/56/18/12/752561812.db2.gz GDCSGYOBCHGDQY-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nc2ccsc2c(=O)[nH]1 ZINC001126366039 752565449 /nfs/dbraw/zinc/56/54/49/752565449.db2.gz PTNOKXHRBAPHHP-OAHLLOKOSA-N 1 1 336.417 0.930 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2coc(C)n2)[C@@H]1C ZINC000988737969 752639952 /nfs/dbraw/zinc/63/99/52/752639952.db2.gz JUWWAOHVYSHVTC-INWMFGNUSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2coc(C)n2)[C@@H]1C ZINC000988737969 752639954 /nfs/dbraw/zinc/63/99/54/752639954.db2.gz JUWWAOHVYSHVTC-INWMFGNUSA-N 1 1 344.415 0.800 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028446642 752675146 /nfs/dbraw/zinc/67/51/46/752675146.db2.gz BSLIXKYXEPJQTA-BLLLJJGKSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028446642 752675149 /nfs/dbraw/zinc/67/51/49/752675149.db2.gz BSLIXKYXEPJQTA-BLLLJJGKSA-N 1 1 344.390 0.914 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001028464807 752753240 /nfs/dbraw/zinc/75/32/40/752753240.db2.gz FSSMQTODORPZSI-CHWSQXEVSA-N 1 1 346.269 0.664 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001028464807 752753243 /nfs/dbraw/zinc/75/32/43/752753243.db2.gz FSSMQTODORPZSI-CHWSQXEVSA-N 1 1 346.269 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)CC)CCO2 ZINC001007672362 752758581 /nfs/dbraw/zinc/75/85/81/752758581.db2.gz CAZHVTRYRIPERA-YJBOKZPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)CC)CCO2 ZINC001007672362 752758585 /nfs/dbraw/zinc/75/85/85/752758585.db2.gz CAZHVTRYRIPERA-YJBOKZPZSA-N 1 1 333.432 0.324 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001028490198 752829362 /nfs/dbraw/zinc/82/93/62/752829362.db2.gz JHCDZAIZWIGBBP-MOPGFXCFSA-N 1 1 341.455 0.807 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001028489891 752829397 /nfs/dbraw/zinc/82/93/97/752829397.db2.gz DDPWOXQLFMOXBC-YJBOKZPZSA-N 1 1 342.443 0.827 20 30 ECEDMO CCn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028490390 752831022 /nfs/dbraw/zinc/83/10/22/752831022.db2.gz LFMYBVWKJAXGJO-LBPRGKRZSA-N 1 1 327.392 0.750 20 30 ECEDMO CCn1nncc1C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028490390 752831029 /nfs/dbraw/zinc/83/10/29/752831029.db2.gz LFMYBVWKJAXGJO-LBPRGKRZSA-N 1 1 327.392 0.750 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@]3(C)C[N@H+]([C@@H](C)C(N)=O)C[C@]3(C)C2)c1 ZINC000982541758 752838832 /nfs/dbraw/zinc/83/88/32/752838832.db2.gz LRHZWNXVIDDHMW-FASAQXTFSA-N 1 1 340.427 0.721 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000982547436 752861887 /nfs/dbraw/zinc/86/18/87/752861887.db2.gz PNPPXVCHQCJOPY-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)Cn1ncnn1 ZINC000988828791 752942397 /nfs/dbraw/zinc/94/23/97/752942397.db2.gz NACHGCCTUGJCEL-IAQYHMDHSA-N 1 1 343.366 0.463 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001007842551 752979365 /nfs/dbraw/zinc/97/93/65/752979365.db2.gz BGNGILUDHYORJM-AWEZNQCLSA-N 1 1 332.404 0.107 20 30 ECEDMO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1COC(=O)N1 ZINC001028519024 753014552 /nfs/dbraw/zinc/01/45/52/753014552.db2.gz IRSRQCMHMXZQOZ-HZPDHXFCSA-N 1 1 327.384 0.585 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cnn(CC)n3)C2)C1=O ZINC001028525105 753064255 /nfs/dbraw/zinc/06/42/55/753064255.db2.gz ZGWPKABFQBGAFO-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](CCNC(=O)C#CC2CC2)C1 ZINC001059941230 753091473 /nfs/dbraw/zinc/09/14/73/753091473.db2.gz IUBGWSYLGVOHFE-INIZCTEOSA-N 1 1 328.416 0.960 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3nn(C)cc3C)C2)C1=O ZINC001028537552 753099834 /nfs/dbraw/zinc/09/98/34/753099834.db2.gz NFCZPDRCIJUBDL-GJZGRUSLSA-N 1 1 345.447 0.567 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nnnn1Cc1ccccc1 ZINC001126383233 753153735 /nfs/dbraw/zinc/15/37/35/753153735.db2.gz GRPGFHHPNPMWRZ-KRWDZBQOSA-N 1 1 344.419 0.254 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001007999168 753190359 /nfs/dbraw/zinc/19/03/59/753190359.db2.gz TZFLQWCCEDCDIW-KBPBESRZSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001007999168 753190365 /nfs/dbraw/zinc/19/03/65/753190365.db2.gz TZFLQWCCEDCDIW-KBPBESRZSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982651380 753220876 /nfs/dbraw/zinc/22/08/76/753220876.db2.gz KZQUVVNQZSMWGI-CALCHBBNSA-N 1 1 334.420 0.285 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000982661727 753240234 /nfs/dbraw/zinc/24/02/34/753240234.db2.gz TYGIHCOUEFWOQN-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)CC1 ZINC000938096239 753257212 /nfs/dbraw/zinc/25/72/12/753257212.db2.gz YAPUAVLFCDVITP-HNNXBMFYSA-N 1 1 343.431 0.394 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000982665633 753258532 /nfs/dbraw/zinc/25/85/32/753258532.db2.gz RHQHVFBCHVWQRT-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000982670211 753276152 /nfs/dbraw/zinc/27/61/52/753276152.db2.gz SEOBSMFMSWBOOH-RDJZCZTQSA-N 1 1 345.443 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000982670211 753276159 /nfs/dbraw/zinc/27/61/59/753276159.db2.gz SEOBSMFMSWBOOH-RDJZCZTQSA-N 1 1 345.443 0.395 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001008120543 753336653 /nfs/dbraw/zinc/33/66/53/753336653.db2.gz KBWZSHFFTZFNLF-AWEZNQCLSA-N 1 1 327.388 0.100 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001008124422 753342611 /nfs/dbraw/zinc/34/26/11/753342611.db2.gz UGHNUCGYFORDMR-LBPRGKRZSA-N 1 1 330.396 0.464 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC001051495169 762207249 /nfs/dbraw/zinc/20/72/49/762207249.db2.gz RMSFHKNKCUSGNQ-CHWSQXEVSA-N 1 1 334.424 0.510 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C)nc1 ZINC000989166708 753418089 /nfs/dbraw/zinc/41/80/89/753418089.db2.gz JXOGTRFZFKXTEH-BMFZPTHFSA-N 1 1 340.427 0.734 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001008177039 753424906 /nfs/dbraw/zinc/42/49/06/753424906.db2.gz PELZTFJZEIKBQC-HOTGVXAUSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001008177046 753424936 /nfs/dbraw/zinc/42/49/36/753424936.db2.gz PKEBXKZLXUQUGP-BXUZGUMPSA-N 1 1 347.444 0.724 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001008177046 753424941 /nfs/dbraw/zinc/42/49/41/753424941.db2.gz PKEBXKZLXUQUGP-BXUZGUMPSA-N 1 1 347.444 0.724 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)cc1F ZINC001008176787 753424992 /nfs/dbraw/zinc/42/49/92/753424992.db2.gz LJCDNTMSFWMRDP-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)cc1F ZINC001008176787 753424997 /nfs/dbraw/zinc/42/49/97/753424997.db2.gz LJCDNTMSFWMRDP-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000982738042 753446997 /nfs/dbraw/zinc/44/69/97/753446997.db2.gz BUOYTXMLIRWERL-DLBZAZTESA-N 1 1 347.459 0.474 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001008206160 753462345 /nfs/dbraw/zinc/46/23/45/753462345.db2.gz DGSMUTNYSCGBDW-CVEARBPZSA-N 1 1 347.459 0.474 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001008206160 753462348 /nfs/dbraw/zinc/46/23/48/753462348.db2.gz DGSMUTNYSCGBDW-CVEARBPZSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000982770070 753512309 /nfs/dbraw/zinc/51/23/09/753512309.db2.gz CIUKZZCSYKBHDE-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cn3ccccc3=O)C2)nn1 ZINC001105371383 753516113 /nfs/dbraw/zinc/51/61/13/753516113.db2.gz MVPQEVUNMYJKEQ-UHFFFAOYSA-N 1 1 342.403 0.189 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@]2(C)C1 ZINC000982771942 753516795 /nfs/dbraw/zinc/51/67/95/753516795.db2.gz GNIYOIVALPCHFG-CALCHBBNSA-N 1 1 333.436 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(F)F)CC1(C)C ZINC001008278910 753541496 /nfs/dbraw/zinc/54/14/96/753541496.db2.gz UQYJYANRQCPKTC-NWDGAFQWSA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(F)F)CC1(C)C ZINC001008278910 753541501 /nfs/dbraw/zinc/54/15/01/753541501.db2.gz UQYJYANRQCPKTC-NWDGAFQWSA-N 1 1 327.375 0.702 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000982785271 753556295 /nfs/dbraw/zinc/55/62/95/753556295.db2.gz ZGLADANOQIRBIM-GOEBONIOSA-N 1 1 340.427 0.593 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2snc(Cl)c2C#N)C1 ZINC001105853238 762224004 /nfs/dbraw/zinc/22/40/04/762224004.db2.gz JMPDXJKTQHNWTR-BDAKNGLRSA-N 1 1 343.840 0.509 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C3CCN(C(C)=O)CC3)C2)nn1 ZINC001105371663 753569735 /nfs/dbraw/zinc/56/97/35/753569735.db2.gz VDXRLRXHYXKFQZ-UHFFFAOYSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001008311998 753589578 /nfs/dbraw/zinc/58/95/78/753589578.db2.gz VRJOHBQWTOKFSN-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001008311998 753589584 /nfs/dbraw/zinc/58/95/84/753589584.db2.gz VRJOHBQWTOKFSN-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnc(C)[nH]1 ZINC001075935420 753593471 /nfs/dbraw/zinc/59/34/71/753593471.db2.gz PMRCSINWRFVPGK-WFASDCNBSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnc(C)[nH]1 ZINC001075935420 753593475 /nfs/dbraw/zinc/59/34/75/753593475.db2.gz PMRCSINWRFVPGK-WFASDCNBSA-N 1 1 331.420 0.440 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n(C)n1 ZINC001083357763 753665460 /nfs/dbraw/zinc/66/54/60/753665460.db2.gz FSSZICVCDWVRMB-WBVHZDCISA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n(C)n1 ZINC001083357763 753665463 /nfs/dbraw/zinc/66/54/63/753665463.db2.gz FSSZICVCDWVRMB-WBVHZDCISA-N 1 1 339.399 0.575 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1)C1CCC1 ZINC001098683077 753689786 /nfs/dbraw/zinc/68/97/86/753689786.db2.gz PGQGJNXBQNQSCL-HNNXBMFYSA-N 1 1 331.424 0.149 20 30 ECEDMO C=CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685178 753762938 /nfs/dbraw/zinc/76/29/38/753762938.db2.gz ASTPHTANERSXCT-CVEARBPZSA-N 1 1 332.452 0.811 20 30 ECEDMO CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)C1 ZINC001083390554 753780886 /nfs/dbraw/zinc/78/08/86/753780886.db2.gz WJBPDXUMLDFNPO-YUELXQCFSA-N 1 1 332.404 0.476 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)nn1 ZINC001098685851 753794823 /nfs/dbraw/zinc/79/48/23/753794823.db2.gz RWEPLJKNPOHJPX-ZFWWWQNUSA-N 1 1 346.435 0.196 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583139 753864183 /nfs/dbraw/zinc/86/41/83/753864183.db2.gz KPZYVSWRWDREAJ-HUUCEWRRSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001028601045 753877751 /nfs/dbraw/zinc/87/77/51/753877751.db2.gz HUSWZARYISJZRU-WMZOPIPTSA-N 1 1 341.459 0.821 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001008560217 753914360 /nfs/dbraw/zinc/91/43/60/753914360.db2.gz SSTPPFUIWSCVGH-BMFZPTHFSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001008560217 753914369 /nfs/dbraw/zinc/91/43/69/753914369.db2.gz SSTPPFUIWSCVGH-BMFZPTHFSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001028624742 753967562 /nfs/dbraw/zinc/96/75/62/753967562.db2.gz GGZOJNAAYCKNNU-LSDHHAIUSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3cn(C)nn3)C[C@@]2(C)C1 ZINC000982855617 754004616 /nfs/dbraw/zinc/00/46/16/754004616.db2.gz UJYFHYSMWPXDPH-HDICACEKSA-N 1 1 329.448 0.941 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001105602070 754026104 /nfs/dbraw/zinc/02/61/04/754026104.db2.gz GCQFTZMGKPJNLR-UKRRQHHQSA-N 1 1 346.435 0.270 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001105602070 754026111 /nfs/dbraw/zinc/02/61/11/754026111.db2.gz GCQFTZMGKPJNLR-UKRRQHHQSA-N 1 1 346.435 0.270 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNc1cccc(F)c1C#N ZINC001105866580 762263541 /nfs/dbraw/zinc/26/35/41/762263541.db2.gz FUJURQMCEZOCOM-GFCCVEGCSA-N 1 1 331.351 0.792 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCCN(C)C3=O)CC2)cn1 ZINC000989511552 754062117 /nfs/dbraw/zinc/06/21/17/754062117.db2.gz ZRRATWGRNKUNLK-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCCN(C)C3=O)CC2)cn1 ZINC000989511552 754062122 /nfs/dbraw/zinc/06/21/22/754062122.db2.gz ZRRATWGRNKUNLK-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001008755671 754079764 /nfs/dbraw/zinc/07/97/64/754079764.db2.gz TVTURNLOPOJXKQ-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001008755671 754079766 /nfs/dbraw/zinc/07/97/66/754079766.db2.gz TVTURNLOPOJXKQ-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO C=C(C)C[N@H+]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557426 754113934 /nfs/dbraw/zinc/11/39/34/754113934.db2.gz LIGDVDVPCLUUJT-HNNXBMFYSA-N 1 1 329.466 0.569 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001008785863 754115993 /nfs/dbraw/zinc/11/59/93/754115993.db2.gz ACKXXKHCZULYPH-NVXWUHKLSA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001008785863 754116002 /nfs/dbraw/zinc/11/60/02/754116002.db2.gz ACKXXKHCZULYPH-NVXWUHKLSA-N 1 1 341.411 0.781 20 30 ECEDMO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)no1 ZINC001051525026 762276530 /nfs/dbraw/zinc/27/65/30/762276530.db2.gz ZHHPZMPPWZBFKV-AWEZNQCLSA-N 1 1 329.360 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ncoc2C)C1 ZINC000982920625 754199283 /nfs/dbraw/zinc/19/92/83/754199283.db2.gz DVMCAUJCAXILKJ-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ncoc2C)C1 ZINC000982920625 754199288 /nfs/dbraw/zinc/19/92/88/754199288.db2.gz DVMCAUJCAXILKJ-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cn[nH]n3)C2)cc1C#N ZINC001028649361 754216216 /nfs/dbraw/zinc/21/62/16/754216216.db2.gz AQPLOIXAGNYNKY-CYBMUJFWSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cnn[nH]3)C2)cc1C#N ZINC001028649361 754216223 /nfs/dbraw/zinc/21/62/23/754216223.db2.gz AQPLOIXAGNYNKY-CYBMUJFWSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cnn[nH]3)C2)cc1C#N ZINC001028649361 754216230 /nfs/dbraw/zinc/21/62/30/754216230.db2.gz AQPLOIXAGNYNKY-CYBMUJFWSA-N 1 1 340.387 0.937 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001105869652 762306183 /nfs/dbraw/zinc/30/61/83/762306183.db2.gz YAMLUDLVAIPHLG-CYBMUJFWSA-N 1 1 334.424 0.140 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN(CCOC)c1ccnc(C#N)n1 ZINC001126403638 754520003 /nfs/dbraw/zinc/52/00/03/754520003.db2.gz LIRIKCQFSIIIHL-UHFFFAOYSA-N 1 1 334.424 0.259 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000983075804 754562886 /nfs/dbraw/zinc/56/28/86/754562886.db2.gz PJIPHRYGVHCVRB-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000983075804 754562890 /nfs/dbraw/zinc/56/28/90/754562890.db2.gz PJIPHRYGVHCVRB-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3ccncc3C#N)C2)C1 ZINC001060008257 754700501 /nfs/dbraw/zinc/70/05/01/754700501.db2.gz WVJBOPKHBWINAT-WMLDXEAASA-N 1 1 343.431 0.356 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3ccncc3C#N)C2)C1 ZINC001060008257 754700506 /nfs/dbraw/zinc/70/05/06/754700506.db2.gz WVJBOPKHBWINAT-WMLDXEAASA-N 1 1 343.431 0.356 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001009275694 754733077 /nfs/dbraw/zinc/73/30/77/754733077.db2.gz NEUYVNPWQFGIHZ-CVEARBPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001009275694 754733081 /nfs/dbraw/zinc/73/30/81/754733081.db2.gz NEUYVNPWQFGIHZ-CVEARBPZSA-N 1 1 326.400 0.536 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001105874004 762332398 /nfs/dbraw/zinc/33/23/98/762332398.db2.gz YWFRIZOTPNTQLQ-GOEBONIOSA-N 1 1 331.420 0.139 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990158826 754784772 /nfs/dbraw/zinc/78/47/72/754784772.db2.gz AGJVKFNWZXZCSM-KHIZAZIESA-N 1 1 329.404 0.748 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990162771 754787556 /nfs/dbraw/zinc/78/75/56/754787556.db2.gz PJCNXBDJSBKMMN-CPUCHLNUSA-N 1 1 329.404 0.877 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009354612 754798554 /nfs/dbraw/zinc/79/85/54/754798554.db2.gz UKEVYRNMSZWJKG-SJORKVTESA-N 1 1 325.412 0.680 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009354612 754798558 /nfs/dbraw/zinc/79/85/58/754798558.db2.gz UKEVYRNMSZWJKG-SJORKVTESA-N 1 1 325.412 0.680 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)C1=O ZINC000990165196 754809705 /nfs/dbraw/zinc/80/97/05/754809705.db2.gz VXXSFNAFAIIYGS-RLFYNMQTSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3coc(OC)n3)C2)C1=O ZINC001028716662 754821071 /nfs/dbraw/zinc/82/10/71/754821071.db2.gz DAZXNHCHENMFDF-JSGCOSHPSA-N 1 1 348.403 0.522 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001009418162 754865649 /nfs/dbraw/zinc/86/56/49/754865649.db2.gz MUBNCNUUVNDUKM-AWEZNQCLSA-N 1 1 326.404 0.959 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001009418162 754865651 /nfs/dbraw/zinc/86/56/51/754865651.db2.gz MUBNCNUUVNDUKM-AWEZNQCLSA-N 1 1 326.404 0.959 20 30 ECEDMO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)nc1 ZINC001051563053 762345286 /nfs/dbraw/zinc/34/52/86/762345286.db2.gz NSPGNYRTNUTYPB-OAHLLOKOSA-N 1 1 340.387 0.616 20 30 ECEDMO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1)c1ncccn1 ZINC001051563232 762345980 /nfs/dbraw/zinc/34/59/80/762345980.db2.gz QLEZHWZYRXACAR-WFASDCNBSA-N 1 1 340.387 0.868 20 30 ECEDMO Cc1nnc([C@H](C)[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)[nH]1 ZINC001051563417 762346685 /nfs/dbraw/zinc/34/66/85/762346685.db2.gz RYNYONILRHHCAS-HZMBPMFUSA-N 1 1 343.391 0.505 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H]2CCCNC2=O)CC3)[nH]1 ZINC000990276569 754931967 /nfs/dbraw/zinc/93/19/67/754931967.db2.gz MNBAFPGSZUEXPN-RKVPGOIHSA-N 1 1 341.415 0.892 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3ccncc3C#N)C2)O1 ZINC001059108915 755031646 /nfs/dbraw/zinc/03/16/46/755031646.db2.gz OJIFMGLUTHKXJF-IVMMDQJWSA-N 1 1 329.404 0.107 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3ccncc3C#N)C2)O1 ZINC001059108915 755031650 /nfs/dbraw/zinc/03/16/50/755031650.db2.gz OJIFMGLUTHKXJF-IVMMDQJWSA-N 1 1 329.404 0.107 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028772353 755058317 /nfs/dbraw/zinc/05/83/17/755058317.db2.gz CJIXBCBNPRMVNE-WFASDCNBSA-N 1 1 327.388 0.178 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)cc1 ZINC001028773719 755062038 /nfs/dbraw/zinc/06/20/38/755062038.db2.gz OFFNMXYLLFWYDP-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO C#CCC1(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)CCCCC1 ZINC001105378542 755113041 /nfs/dbraw/zinc/11/30/41/755113041.db2.gz FGRKGSOLMFSPCB-UHFFFAOYSA-N 1 1 345.447 0.717 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001060034095 755159247 /nfs/dbraw/zinc/15/92/47/755159247.db2.gz AGEXBNSSAGWULQ-KBPBESRZSA-N 1 1 328.420 0.950 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@@H](O)C1 ZINC001083468351 755176148 /nfs/dbraw/zinc/17/61/48/755176148.db2.gz TUFIPEKNQYYISJ-FPCVCCKLSA-N 1 1 330.432 0.501 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@@H](O)C1 ZINC001083468351 755176151 /nfs/dbraw/zinc/17/61/51/755176151.db2.gz TUFIPEKNQYYISJ-FPCVCCKLSA-N 1 1 330.432 0.501 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001075709262 755192704 /nfs/dbraw/zinc/19/27/04/755192704.db2.gz CPLRYTBZCBLAJJ-SLEUVZQESA-N 1 1 329.404 0.509 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001028810317 755202314 /nfs/dbraw/zinc/20/23/14/755202314.db2.gz BFSRIPIZWXKBFA-HUUCEWRRSA-N 1 1 345.447 0.865 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001028849843 755304770 /nfs/dbraw/zinc/30/47/70/755304770.db2.gz LYHPIOHKPYDNJZ-KGLIPLIRSA-N 1 1 329.400 0.624 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001028853161 755315220 /nfs/dbraw/zinc/31/52/20/755315220.db2.gz QTGMROLFIWSCLE-ZFWWWQNUSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001028858176 755323427 /nfs/dbraw/zinc/32/34/27/755323427.db2.gz NHIADAJMWBELTO-KBPBESRZSA-N 1 1 348.451 0.383 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001028865543 755338400 /nfs/dbraw/zinc/33/84/00/755338400.db2.gz UORIMBRAGBDYQM-SNVBAGLBSA-N 1 1 328.214 0.775 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001028865543 755338404 /nfs/dbraw/zinc/33/84/04/755338404.db2.gz UORIMBRAGBDYQM-SNVBAGLBSA-N 1 1 328.214 0.775 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001098653826 755391223 /nfs/dbraw/zinc/39/12/23/755391223.db2.gz WNKSUKBXVVJRCO-AWEZNQCLSA-N 1 1 325.376 0.841 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cn(CCOC)nn3)CCC[C@H]12 ZINC000990592885 755460631 /nfs/dbraw/zinc/46/06/31/755460631.db2.gz YQQIRHFVSVHERQ-DOTOQJQBSA-N 1 1 331.420 0.675 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001028918179 755473601 /nfs/dbraw/zinc/47/36/01/755473601.db2.gz APCXVEAZZZGFAW-AWEZNQCLSA-N 1 1 327.388 0.994 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001028919393 755479490 /nfs/dbraw/zinc/47/94/90/755479490.db2.gz VKKRSNYRMBOTPA-QWHCGFSZSA-N 1 1 332.404 0.572 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001083472670 755591904 /nfs/dbraw/zinc/59/19/04/755591904.db2.gz KUNJCPBPEPBWCR-OWYHZJEWSA-N 1 1 341.455 0.540 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)nn1 ZINC001098654942 755597910 /nfs/dbraw/zinc/59/79/10/755597910.db2.gz DFWBVQDMKWUWKQ-OCCSQVGLSA-N 1 1 333.392 0.280 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001083482924 755640821 /nfs/dbraw/zinc/64/08/21/755640821.db2.gz AGPCEKAXCPXGNK-KFWWJZLASA-N 1 1 335.448 0.208 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(C#N)n1 ZINC001105675612 755833355 /nfs/dbraw/zinc/83/33/55/755833355.db2.gz MNQORXSYSUDNDD-UONOGXRCSA-N 1 1 330.436 0.809 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 ZINC000990761575 755844429 /nfs/dbraw/zinc/84/44/29/755844429.db2.gz JDTWDOIBELXTIF-WBMJQRKESA-N 1 1 332.408 0.066 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 ZINC000990767125 755853061 /nfs/dbraw/zinc/85/30/61/755853061.db2.gz XFHLZBLFPNYDGQ-MLGOLLRUSA-N 1 1 332.408 0.066 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088828170 755953893 /nfs/dbraw/zinc/95/38/93/755953893.db2.gz BYIFNXLWJYEKNH-BYCMXARLSA-N 1 1 327.388 0.319 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1ccccc1C#N ZINC001088828170 755953898 /nfs/dbraw/zinc/95/38/98/755953898.db2.gz BYIFNXLWJYEKNH-BYCMXARLSA-N 1 1 327.388 0.319 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@@H](O)C1 ZINC001083539837 756031736 /nfs/dbraw/zinc/03/17/36/756031736.db2.gz VMFLLAAQJNZTFZ-TXCZRRACSA-N 1 1 346.431 0.165 20 30 ECEDMO Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010698575 756414026 /nfs/dbraw/zinc/41/40/26/756414026.db2.gz PGNMIVGUDPRMMA-ZDUSSCGKSA-N 1 1 345.428 0.922 20 30 ECEDMO Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010698575 756414030 /nfs/dbraw/zinc/41/40/30/756414030.db2.gz PGNMIVGUDPRMMA-ZDUSSCGKSA-N 1 1 345.428 0.922 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)[C@@H](C)OC)C2 ZINC001010721995 756442904 /nfs/dbraw/zinc/44/29/04/756442904.db2.gz ITXQXCAZGWFQHM-CVEARBPZSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)[C@@H](C)OC)C2 ZINC001010721995 756442907 /nfs/dbraw/zinc/44/29/07/756442907.db2.gz ITXQXCAZGWFQHM-CVEARBPZSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccncn4)[C@@H]3C2)C1=O ZINC001076376385 756443319 /nfs/dbraw/zinc/44/33/19/756443319.db2.gz ALJZBMCFYQKAPG-NUEKZKHPSA-N 1 1 341.415 0.410 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)C#CC2CC2)C1 ZINC001076432486 756507611 /nfs/dbraw/zinc/50/76/11/756507611.db2.gz SIHGDXDARSVQDS-GOEBONIOSA-N 1 1 335.448 0.520 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)C#CC2CC2)C1 ZINC001076432486 756507616 /nfs/dbraw/zinc/50/76/16/756507616.db2.gz SIHGDXDARSVQDS-GOEBONIOSA-N 1 1 335.448 0.520 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)[C@@H]2C1 ZINC001076474609 756560717 /nfs/dbraw/zinc/56/07/17/756560717.db2.gz AFDHANXORQGQNN-XJKSGUPXSA-N 1 1 337.379 0.740 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)cn1 ZINC001076477115 756563859 /nfs/dbraw/zinc/56/38/59/756563859.db2.gz QEGAEUVSHFTSLZ-USXIJHARSA-N 1 1 338.411 0.440 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)cn1 ZINC001076476841 756563870 /nfs/dbraw/zinc/56/38/70/756563870.db2.gz FFMMCQVLTKZTIZ-NUEKZKHPSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](CC)C(N)=O)C[C@H]32)cn1 ZINC001076476841 756563874 /nfs/dbraw/zinc/56/38/74/756563874.db2.gz FFMMCQVLTKZTIZ-NUEKZKHPSA-N 1 1 326.400 0.473 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001010834832 756581348 /nfs/dbraw/zinc/58/13/48/756581348.db2.gz CUBLXBMVCVBVMJ-RRFJBIMHSA-N 1 1 332.448 0.937 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001010834806 756581620 /nfs/dbraw/zinc/58/16/20/756581620.db2.gz CLZWJKLNECBWPV-CYBMUJFWSA-N 1 1 329.404 0.802 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1F ZINC001010841565 756590432 /nfs/dbraw/zinc/59/04/32/756590432.db2.gz NDEFRHDVLQWGHJ-JSGCOSHPSA-N 1 1 332.335 0.496 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1F ZINC001010841565 756590434 /nfs/dbraw/zinc/59/04/34/756590434.db2.gz NDEFRHDVLQWGHJ-JSGCOSHPSA-N 1 1 332.335 0.496 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1F ZINC001010841568 756590688 /nfs/dbraw/zinc/59/06/88/756590688.db2.gz NDEFRHDVLQWGHJ-OCCSQVGLSA-N 1 1 332.335 0.496 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1F ZINC001010841568 756590691 /nfs/dbraw/zinc/59/06/91/756590691.db2.gz NDEFRHDVLQWGHJ-OCCSQVGLSA-N 1 1 332.335 0.496 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)Cn2c[nH+]cc2C)nn1 ZINC001076575623 756663854 /nfs/dbraw/zinc/66/38/54/756663854.db2.gz AFNYVQSBHVHAMN-LBPRGKRZSA-N 1 1 345.407 0.294 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076585761 756688556 /nfs/dbraw/zinc/68/85/56/756688556.db2.gz SPVGVEMTGJJPIE-LSDHHAIUSA-N 1 1 325.453 0.932 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)[nH]1 ZINC000990891873 756720364 /nfs/dbraw/zinc/72/03/64/756720364.db2.gz FYIWZLDAADUYTA-AWEZNQCLSA-N 1 1 338.371 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CC)SC)CC1 ZINC001011011484 756763411 /nfs/dbraw/zinc/76/34/11/756763411.db2.gz WHBZNDCSLBECIE-LSDHHAIUSA-N 1 1 337.489 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CC)SC)CC1 ZINC001011011484 756763413 /nfs/dbraw/zinc/76/34/13/756763413.db2.gz WHBZNDCSLBECIE-LSDHHAIUSA-N 1 1 337.489 0.896 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001076645941 756776098 /nfs/dbraw/zinc/77/60/98/756776098.db2.gz UHWGUPDKNGPJBS-QJPTWQEYSA-N 1 1 325.796 0.324 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001076645941 756776101 /nfs/dbraw/zinc/77/61/01/756776101.db2.gz UHWGUPDKNGPJBS-QJPTWQEYSA-N 1 1 325.796 0.324 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)c[nH]1 ZINC000990930802 756880001 /nfs/dbraw/zinc/88/00/01/756880001.db2.gz FKLZYEKRMJDOMU-HZPDHXFCSA-N 1 1 341.415 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C)nn2)CC1 ZINC001011112658 756945230 /nfs/dbraw/zinc/94/52/30/756945230.db2.gz YUWYVHVIZSVQSR-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C)nn2)CC1 ZINC001011112658 756945235 /nfs/dbraw/zinc/94/52/35/756945235.db2.gz YUWYVHVIZSVQSR-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1cc(C#N)c[nH]1 ZINC001076744807 756969904 /nfs/dbraw/zinc/96/99/04/756969904.db2.gz ZFCGSYHSMQNZFY-OUCADQQQSA-N 1 1 331.420 0.851 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CN(C(=O)c3[nH]nnc3C)CC2(C)C)C1=O ZINC000996117997 756984297 /nfs/dbraw/zinc/98/42/97/756984297.db2.gz HPFPAHRFIIBZPU-STQMWFEESA-N 1 1 346.435 0.340 20 30 ECEDMO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048796136 757025585 /nfs/dbraw/zinc/02/55/85/757025585.db2.gz DQGSNNFIICUMMC-IXDOHACOSA-N 1 1 339.395 0.537 20 30 ECEDMO CC(C)OCCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 ZINC001107149797 757053111 /nfs/dbraw/zinc/05/31/11/757053111.db2.gz QVOHRRMHFDNAAO-ZDUSSCGKSA-N 1 1 334.424 0.726 20 30 ECEDMO CCO[C@@H](C[NH+]1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1)C1CC1 ZINC001107149808 757053371 /nfs/dbraw/zinc/05/33/71/757053371.db2.gz RAWKVALPUHFSGO-WBMJQRKESA-N 1 1 346.435 0.726 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048827074 757122799 /nfs/dbraw/zinc/12/27/99/757122799.db2.gz VJJHTHFTCNKRRI-JJTUDDRGSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)c3ncccc3O)C2)CC1 ZINC000990977664 757123656 /nfs/dbraw/zinc/12/36/56/757123656.db2.gz KLYOCANDCIQQLU-UHFFFAOYSA-N 1 1 342.399 0.073 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@H]2C1 ZINC001048838145 757144778 /nfs/dbraw/zinc/14/47/78/757144778.db2.gz DZLHOBWJJNDZRY-OKILXGFUSA-N 1 1 330.436 0.384 20 30 ECEDMO C#CCCCC(=O)NCc1cn(C2C[NH+](C[C@@H](CC)OC)C2)nn1 ZINC001107165116 757167266 /nfs/dbraw/zinc/16/72/66/757167266.db2.gz OGMISGJOEJCYMQ-MRXNPFEDSA-N 1 1 333.436 0.980 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCc1cn(C2C[NH+](C[C@H](C)OC)C2)nn1 ZINC001107163806 757196847 /nfs/dbraw/zinc/19/68/47/757196847.db2.gz BQUVCJJUQTZCBV-LRDDRELGSA-N 1 1 337.424 0.113 20 30 ECEDMO COCCCC[NH+]1CC(n2cc(CNC(=O)C#CC(C)C)nn2)C1 ZINC001107169307 757205568 /nfs/dbraw/zinc/20/55/68/757205568.db2.gz BIRDZMGCBORYHS-UHFFFAOYSA-N 1 1 333.436 0.837 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](C[C@@H](CC)OC)C2)nn1 ZINC001107169564 757207074 /nfs/dbraw/zinc/20/70/74/757207074.db2.gz OAYUBXQWXHPJSG-XJKSGUPXSA-N 1 1 349.435 0.214 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnnn3C)C2)nn1 ZINC001098666955 757222337 /nfs/dbraw/zinc/22/23/37/757222337.db2.gz MOGYMIGFBVWBEQ-CYBMUJFWSA-N 1 1 330.396 0.160 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(CCOC)CC1 ZINC001076827066 757282630 /nfs/dbraw/zinc/28/26/30/757282630.db2.gz XBDMYUVPUWTQSK-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(CCOC)CC1 ZINC001076827066 757282636 /nfs/dbraw/zinc/28/26/36/757282636.db2.gz XBDMYUVPUWTQSK-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCC1(C(=O)NCc2cn(C3C[NH+]([C@@H](C)COC)C3)nn2)CCC1 ZINC001107179949 757298017 /nfs/dbraw/zinc/29/80/17/757298017.db2.gz XAEDFYDRZKBLKP-AWEZNQCLSA-N 1 1 345.447 0.980 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)cc1 ZINC001076820079 757299784 /nfs/dbraw/zinc/29/97/84/757299784.db2.gz LZJONDQVYDAHKX-HZPDHXFCSA-N 1 1 326.356 0.450 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)cc1 ZINC001076820079 757299788 /nfs/dbraw/zinc/29/97/88/757299788.db2.gz LZJONDQVYDAHKX-HZPDHXFCSA-N 1 1 326.356 0.450 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001021386695 757377212 /nfs/dbraw/zinc/37/72/12/757377212.db2.gz QKZRMMJKGUDUTR-VEDBGLOESA-N 1 1 345.447 0.981 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)c1 ZINC001076855866 757398174 /nfs/dbraw/zinc/39/81/74/757398174.db2.gz QPNDZECIDPJATA-APHBMKBZSA-N 1 1 332.404 0.478 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)nc1 ZINC001021440233 757448209 /nfs/dbraw/zinc/44/82/09/757448209.db2.gz DYUAJYGJFYXBJF-UCMJJCQDSA-N 1 1 338.411 0.677 20 30 ECEDMO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1O ZINC001048946349 757486769 /nfs/dbraw/zinc/48/67/69/757486769.db2.gz VSWYJGZYODCKRE-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2coc(OC)n2)CC1 ZINC001011315093 757491515 /nfs/dbraw/zinc/49/15/15/757491515.db2.gz YTLZSPUAXXBDJJ-AWEZNQCLSA-N 1 1 346.387 0.065 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2coc(OC)n2)CC1 ZINC001011315093 757491522 /nfs/dbraw/zinc/49/15/22/757491522.db2.gz YTLZSPUAXXBDJJ-AWEZNQCLSA-N 1 1 346.387 0.065 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC001011314852 757491830 /nfs/dbraw/zinc/49/18/30/757491830.db2.gz OEWBLZBICKUXHI-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC001011314852 757491834 /nfs/dbraw/zinc/49/18/34/757491834.db2.gz OEWBLZBICKUXHI-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO COCCc1nc(C[NH2+]C2CCN(C(=O)C#CC3CC3)CC2)no1 ZINC000996394292 757535309 /nfs/dbraw/zinc/53/53/09/757535309.db2.gz MVBPROUQZQSLMX-UHFFFAOYSA-N 1 1 332.404 0.753 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4csnn4)C[C@H]3C2)C1=O ZINC001048964783 757535915 /nfs/dbraw/zinc/53/59/15/757535915.db2.gz NDOCFQDECLGCCZ-MBNYWOFBSA-N 1 1 347.444 0.329 20 30 ECEDMO CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)C1CCC1 ZINC001076906413 757558338 /nfs/dbraw/zinc/55/83/38/757558338.db2.gz ZENXYFYNIQOOES-BZUAXINKSA-N 1 1 332.404 0.476 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048976737 757577174 /nfs/dbraw/zinc/57/71/74/757577174.db2.gz DZEYFVCSIBIVLD-GJZGRUSLSA-N 1 1 325.453 0.713 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001048977011 757579830 /nfs/dbraw/zinc/57/98/30/757579830.db2.gz KVMIBGPZALTTKV-RLFYNMQTSA-N 1 1 339.480 0.959 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048977839 757584457 /nfs/dbraw/zinc/58/44/57/757584457.db2.gz NCNHHYWPUMHTNO-IXDOHACOSA-N 1 1 338.411 0.585 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001048991060 757624373 /nfs/dbraw/zinc/62/43/73/757624373.db2.gz IDDNEXXXHCVURC-AOOOYVTPSA-N 1 1 341.213 0.123 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001048991060 757624375 /nfs/dbraw/zinc/62/43/75/757624375.db2.gz IDDNEXXXHCVURC-AOOOYVTPSA-N 1 1 341.213 0.123 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001021620115 757693264 /nfs/dbraw/zinc/69/32/64/757693264.db2.gz PREHLJSXUBBMHI-GJZGRUSLSA-N 1 1 333.436 0.471 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021621559 757697397 /nfs/dbraw/zinc/69/73/97/757697397.db2.gz BUWKAAHDVIXAIR-LSDHHAIUSA-N 1 1 344.415 0.285 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 ZINC001021626728 757706678 /nfs/dbraw/zinc/70/66/78/757706678.db2.gz HQWHCOHIDPCNFL-JKSUJKDBSA-N 1 1 345.443 0.862 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O ZINC001049018905 757707707 /nfs/dbraw/zinc/70/77/07/757707707.db2.gz AJISOADVYNCUMP-GJZGRUSLSA-N 1 1 337.464 0.406 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)/C(C)=C\CC)C[C@@H]1O ZINC001049019852 757714015 /nfs/dbraw/zinc/71/40/15/757714015.db2.gz VJCJCPBAGZFNOW-DYCFVZSFSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)/C(C)=C\CC)C[C@@H]1O ZINC001049019852 757714024 /nfs/dbraw/zinc/71/40/24/757714024.db2.gz VJCJCPBAGZFNOW-DYCFVZSFSA-N 1 1 347.459 0.470 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)cc1 ZINC001021660466 757747930 /nfs/dbraw/zinc/74/79/30/757747930.db2.gz AMQAIYWJWYHULG-JKSUJKDBSA-N 1 1 326.400 0.856 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]21 ZINC001021661574 757753595 /nfs/dbraw/zinc/75/35/95/757753595.db2.gz PKEDFEJXJZQFDZ-SJORKVTESA-N 1 1 325.412 0.836 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021663140 757756166 /nfs/dbraw/zinc/75/61/66/757756166.db2.gz ZWOASIOCRPBQOX-GHMZBOCLSA-N 1 1 330.226 0.693 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021663140 757756172 /nfs/dbraw/zinc/75/61/72/757756172.db2.gz ZWOASIOCRPBQOX-GHMZBOCLSA-N 1 1 330.226 0.693 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]32)c1 ZINC001021666977 757761597 /nfs/dbraw/zinc/76/15/97/757761597.db2.gz DUPOINUXPXZWDW-ZBFHGGJFSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]32)c1 ZINC001021666977 757761613 /nfs/dbraw/zinc/76/16/13/757761613.db2.gz DUPOINUXPXZWDW-ZBFHGGJFSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)CC[C@H]32)c1 ZINC001021668508 757763503 /nfs/dbraw/zinc/76/35/03/757763503.db2.gz ONMZCBMCUHQTDI-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)c1 ZINC001049047489 757774484 /nfs/dbraw/zinc/77/44/84/757774484.db2.gz JDCWUEXODKTQTG-BBWFWOEESA-N 1 1 338.411 0.297 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001049048490 757778063 /nfs/dbraw/zinc/77/80/63/757778063.db2.gz NZUGXLXGIFRQID-PMPSAXMXSA-N 1 1 335.448 0.160 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001049049006 757779554 /nfs/dbraw/zinc/77/95/54/757779554.db2.gz UXNDZEFVLNTBGM-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C4(CF)CC4)C[C@H]3C2)C1=O ZINC001049049203 757779739 /nfs/dbraw/zinc/77/97/39/757779739.db2.gz VFLCBNDIGDFYHT-ZNMIVQPWSA-N 1 1 335.423 0.913 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3C[N@@H+](CCCO)CC[C@H]32)nn1 ZINC001021685988 757780665 /nfs/dbraw/zinc/78/06/65/757780665.db2.gz WCPCDLCUFQTRBW-GOEBONIOSA-N 1 1 333.436 0.773 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(=O)n(CC)n2)C1 ZINC001021691885 757790740 /nfs/dbraw/zinc/79/07/40/757790740.db2.gz SBEUIEKPOXULKH-ZBFHGGJFSA-N 1 1 328.416 0.823 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc(CN4CCCC4)on3)C[C@H]2C1 ZINC001049062877 757845533 /nfs/dbraw/zinc/84/55/33/757845533.db2.gz PAPCVHDTZMVYEI-GASCZTMLSA-N 1 1 328.416 0.907 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021722831 757862901 /nfs/dbraw/zinc/86/29/01/757862901.db2.gz AKSOJJRZIYKECS-HOTGVXAUSA-N 1 1 345.447 0.226 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001021729873 757871733 /nfs/dbraw/zinc/87/17/33/757871733.db2.gz IFXMZFCJHQZILL-KGLIPLIRSA-N 1 1 334.420 0.427 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CCC2=O)C1 ZINC001021729838 757872596 /nfs/dbraw/zinc/87/25/96/757872596.db2.gz HVORJNFRDATEKZ-LSDHHAIUSA-N 1 1 331.416 0.472 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001021728925 757872847 /nfs/dbraw/zinc/87/28/47/757872847.db2.gz WPDNTPNVWZYQLB-ZIAGYGMSSA-N 1 1 348.447 0.816 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021732236 757877428 /nfs/dbraw/zinc/87/74/28/757877428.db2.gz CYZPMJUOGCKESW-UKRRQHHQSA-N 1 1 346.431 0.989 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2nc3ncccn3n2)C1 ZINC001021737113 757885435 /nfs/dbraw/zinc/88/54/35/757885435.db2.gz RMXTUCBBEXKGRN-GJZGRUSLSA-N 1 1 338.415 0.613 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3cnn(C)n3)C(C)(C)C2)cn1 ZINC000996531196 757902972 /nfs/dbraw/zinc/90/29/72/757902972.db2.gz BJPVYFFROBSGNO-MRXNPFEDSA-N 1 1 338.415 0.832 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)Cn3nnnc3C(C)C)C[C@H]2C1 ZINC001049103954 757965560 /nfs/dbraw/zinc/96/55/60/757965560.db2.gz IRPZCOCPMJRRAP-BETUJISGSA-N 1 1 338.843 0.939 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccnn4C)C[C@@H]3C2)nn1 ZINC001049103384 757966523 /nfs/dbraw/zinc/96/65/23/757966523.db2.gz KUJZLIJXTMUZLT-OKILXGFUSA-N 1 1 341.419 0.402 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]2C1 ZINC001049111281 757986714 /nfs/dbraw/zinc/98/67/14/757986714.db2.gz NYNQCJBOUJUWIW-QMHWVQJVSA-N 1 1 335.448 0.492 20 30 ECEDMO C=CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CCCF)C2)nn1 ZINC001107241132 758042507 /nfs/dbraw/zinc/04/25/07/758042507.db2.gz NTAVJKUBECKOBH-GFCCVEGCSA-N 1 1 325.388 0.702 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccco3)CCC[C@@H]12 ZINC001107256244 758059380 /nfs/dbraw/zinc/05/93/80/758059380.db2.gz JMGHRTCXIUNNRR-RHSMWYFYSA-N 1 1 330.388 0.894 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049149169 758129293 /nfs/dbraw/zinc/12/92/93/758129293.db2.gz ADQILYCLZHWJKY-MPGHIAIKSA-N 1 1 339.480 0.961 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC(F)(F)F)CCC[C@@H]12 ZINC001107314102 758219248 /nfs/dbraw/zinc/21/92/48/758219248.db2.gz LSYZSPBRWJJDQD-BXUZGUMPSA-N 1 1 346.353 0.939 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001049176547 758228480 /nfs/dbraw/zinc/22/84/80/758228480.db2.gz SZICQXYLVARMAQ-KBPBESRZSA-N 1 1 325.453 0.571 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3cnn(C)c3)CCC[C@@H]12 ZINC001107323967 758246891 /nfs/dbraw/zinc/24/68/91/758246891.db2.gz LTJRCRSAONRHCH-IEBWSBKVSA-N 1 1 344.459 0.973 20 30 ECEDMO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)o1 ZINC001077127965 758264416 /nfs/dbraw/zinc/26/44/16/758264416.db2.gz REMDROXCRMHUFI-IAGOWNOFSA-N 1 1 340.383 0.759 20 30 ECEDMO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)o1 ZINC001077127965 758264427 /nfs/dbraw/zinc/26/44/27/758264427.db2.gz REMDROXCRMHUFI-IAGOWNOFSA-N 1 1 340.383 0.759 20 30 ECEDMO CC(C)(C)C(=O)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107334485 758283141 /nfs/dbraw/zinc/28/31/41/758283141.db2.gz IXUCSDTYBAEYEF-FZKQIMNGSA-N 1 1 348.447 0.602 20 30 ECEDMO CC(C)(C)C(=O)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107334485 758283150 /nfs/dbraw/zinc/28/31/50/758283150.db2.gz IXUCSDTYBAEYEF-FZKQIMNGSA-N 1 1 348.447 0.602 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CSCC#N ZINC001077124560 758285631 /nfs/dbraw/zinc/28/56/31/758285631.db2.gz XUYIOPOIOJLNRE-KBPBESRZSA-N 1 1 336.461 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CSCC#N ZINC001077124560 758285640 /nfs/dbraw/zinc/28/56/40/758285640.db2.gz XUYIOPOIOJLNRE-KBPBESRZSA-N 1 1 336.461 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(COCC)CC1 ZINC001077124851 758287127 /nfs/dbraw/zinc/28/71/27/758287127.db2.gz GHPWGKNNWDJEEO-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(COCC)CC1 ZINC001077124851 758287134 /nfs/dbraw/zinc/28/71/34/758287134.db2.gz GHPWGKNNWDJEEO-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001077125207 758288099 /nfs/dbraw/zinc/28/80/99/758288099.db2.gz PDGPUBIMQHQHSB-JYJNAYRXSA-N 1 1 333.432 0.133 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001077125207 758288107 /nfs/dbraw/zinc/28/81/07/758288107.db2.gz PDGPUBIMQHQHSB-JYJNAYRXSA-N 1 1 333.432 0.133 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001077125498 758293241 /nfs/dbraw/zinc/29/32/41/758293241.db2.gz WALLSIXQBNONNR-ZFWWWQNUSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001077125498 758293247 /nfs/dbraw/zinc/29/32/47/758293247.db2.gz WALLSIXQBNONNR-ZFWWWQNUSA-N 1 1 331.420 0.061 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C3CCN(C(N)=O)CC3)C[C@H]2C1 ZINC001049206068 758301966 /nfs/dbraw/zinc/30/19/66/758301966.db2.gz FARDYQZMIZVJHO-OKILXGFUSA-N 1 1 340.855 0.920 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnn(C)n1)CC2 ZINC001107329338 758302757 /nfs/dbraw/zinc/30/27/57/758302757.db2.gz QSAYDTRMLBJALM-NVXWUHKLSA-N 1 1 333.436 0.879 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnn(C)n1)CC2 ZINC001107329338 758302765 /nfs/dbraw/zinc/30/27/65/758302765.db2.gz QSAYDTRMLBJALM-NVXWUHKLSA-N 1 1 333.436 0.879 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NCC2=CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001127756320 758324335 /nfs/dbraw/zinc/32/43/35/758324335.db2.gz IGWMJWUFDWZRTO-CQSZACIVSA-N 1 1 340.431 0.943 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@H]2C1 ZINC001049212563 758325202 /nfs/dbraw/zinc/32/52/02/758325202.db2.gz CIUBWVUDCJIAGT-OKILXGFUSA-N 1 1 326.404 0.633 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3cc[nH]n3)CCC[C@@H]12 ZINC001107342023 758340619 /nfs/dbraw/zinc/34/06/19/758340619.db2.gz VNDDMRDZUCLAKM-CRAIPNDOSA-N 1 1 345.447 0.615 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001077147333 758341018 /nfs/dbraw/zinc/34/10/18/758341018.db2.gz LOLHAUZNFIOMOB-ARFHVFGLSA-N 1 1 329.400 0.251 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049220875 758363324 /nfs/dbraw/zinc/36/33/24/758363324.db2.gz RMRHEIHTTCOCNC-MJBXVCDLSA-N 1 1 327.450 0.035 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)/C=C\C3CC3)CCC[C@@H]12 ZINC001107350089 758365456 /nfs/dbraw/zinc/36/54/56/758365456.db2.gz BOGUSNGDXXALJI-CPHMMYSSSA-N 1 1 330.432 0.953 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001077159296 758378068 /nfs/dbraw/zinc/37/80/68/758378068.db2.gz XWLKWNARIUYNHE-IXDOHACOSA-N 1 1 333.476 0.682 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CO[C@H](C)CC)CCC[C@@H]12 ZINC001107366928 758378393 /nfs/dbraw/zinc/37/83/93/758378393.db2.gz ZOXRUVFQVWIBLK-GPMSIDNRSA-N 1 1 349.475 0.912 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3cccnc3C(N)=O)C[C@H]2C1 ZINC001049227642 758383862 /nfs/dbraw/zinc/38/38/62/758383862.db2.gz JUBYCRSIHCEQAC-TXEJJXNPSA-N 1 1 334.807 0.937 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001077164637 758394321 /nfs/dbraw/zinc/39/43/21/758394321.db2.gz SWIOMCPBELOTAL-WCXIOVBPSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001077165027 758396299 /nfs/dbraw/zinc/39/62/99/758396299.db2.gz FGXOWHXKNWOUIV-OWCLPIDISA-N 1 1 345.447 0.573 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001077165717 758397024 /nfs/dbraw/zinc/39/70/24/758397024.db2.gz XWZOUZAOUXMWIG-RBSFLKMASA-N 1 1 331.420 0.183 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ncn(C)n3)CCC[C@@H]12 ZINC001107389502 758416105 /nfs/dbraw/zinc/41/61/05/758416105.db2.gz MEBZACZAPSFYTL-RHSMWYFYSA-N 1 1 331.420 0.439 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)c3ncn(C)n3)CCC[C@@H]12 ZINC001107389554 758416444 /nfs/dbraw/zinc/41/64/44/758416444.db2.gz NKSYIAQPZXQLRI-RHSMWYFYSA-N 1 1 333.436 0.992 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099564719 758419635 /nfs/dbraw/zinc/41/96/35/758419635.db2.gz ZYTZFCUFCYKPKD-HNNXBMFYSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099564719 758419640 /nfs/dbraw/zinc/41/96/40/758419640.db2.gz ZYTZFCUFCYKPKD-HNNXBMFYSA-N 1 1 337.464 0.932 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]2C1 ZINC001049246011 758424124 /nfs/dbraw/zinc/42/41/24/758424124.db2.gz SXCCRMLTFGAVOZ-BETUJISGSA-N 1 1 334.807 0.937 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ncc[nH]3)CCC[C@@H]12 ZINC001107391027 758424746 /nfs/dbraw/zinc/42/47/46/758424746.db2.gz UGPMOJSLUMFIGB-CXAGYDPISA-N 1 1 331.420 0.686 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC001022210468 758425280 /nfs/dbraw/zinc/42/52/80/758425280.db2.gz AJVHRUPTHWMNEC-YESZJQIVSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107402736 758472435 /nfs/dbraw/zinc/47/24/35/758472435.db2.gz QYKREDKMHIRRCJ-ZSZQSSIHSA-N 1 1 347.459 0.664 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2ccnn2)C1 ZINC001077195722 758482472 /nfs/dbraw/zinc/48/24/72/758482472.db2.gz LXGKZCKMBWBBQZ-DGCLKSJQSA-N 1 1 333.417 0.680 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2ccnn2)C1 ZINC001077195722 758482475 /nfs/dbraw/zinc/48/24/75/758482475.db2.gz LXGKZCKMBWBBQZ-DGCLKSJQSA-N 1 1 333.417 0.680 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001049360651 758565368 /nfs/dbraw/zinc/56/53/68/758565368.db2.gz GFZRFHPNJFDILR-GJZGRUSLSA-N 1 1 325.453 0.713 20 30 ECEDMO C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)c1ccc(C#N)[nH]1 ZINC001077254688 758607192 /nfs/dbraw/zinc/60/71/92/758607192.db2.gz HPENQPHIHBRRIH-WFASDCNBSA-N 1 1 331.420 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)cn1 ZINC001011805603 758628223 /nfs/dbraw/zinc/62/82/23/758628223.db2.gz JNSZIAUWBQXJMY-OAHLLOKOSA-N 1 1 340.427 0.832 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001049449628 758721842 /nfs/dbraw/zinc/72/18/42/758721842.db2.gz IESYPYZJFXRRSB-LLDVTBCESA-N 1 1 337.464 0.713 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CC(N)=O)CCC[C@@H]12 ZINC001107500015 758768820 /nfs/dbraw/zinc/76/88/20/758768820.db2.gz SMETZQYMNLPSJS-HDMKZQKVSA-N 1 1 335.448 0.509 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001049482309 758792233 /nfs/dbraw/zinc/79/22/33/758792233.db2.gz MHCFHSBZLVSBCR-CHWSQXEVSA-N 1 1 332.408 0.018 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001049503158 758815418 /nfs/dbraw/zinc/81/54/18/758815418.db2.gz UEOXKKXJVYYYKG-SOUVJXGZSA-N 1 1 331.416 0.613 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001022569407 758897908 /nfs/dbraw/zinc/89/79/08/758897908.db2.gz KEBXKYQPIZXNLU-TYNCELHUSA-N 1 1 345.403 0.569 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001077366667 758916969 /nfs/dbraw/zinc/91/69/69/758916969.db2.gz UUCOFHWZQKXDDE-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001077366667 758916975 /nfs/dbraw/zinc/91/69/75/758916975.db2.gz UUCOFHWZQKXDDE-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001077398444 758995305 /nfs/dbraw/zinc/99/53/05/758995305.db2.gz ULZHWNUYBJUISJ-HZPDHXFCSA-N 1 1 343.431 0.867 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001049615506 758997852 /nfs/dbraw/zinc/99/78/52/758997852.db2.gz KXZNMHUQFJMZSJ-HUUCEWRRSA-N 1 1 339.399 0.643 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001049628996 759012818 /nfs/dbraw/zinc/01/28/18/759012818.db2.gz IQEIAJJMENYYNF-QWHCGFSZSA-N 1 1 342.407 0.559 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001022723627 759050301 /nfs/dbraw/zinc/05/03/01/759050301.db2.gz AMBXPTATOOFSCN-SOUVJXGZSA-N 1 1 332.448 0.937 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)[C@@H](O)C1 ZINC001083582292 759080202 /nfs/dbraw/zinc/08/02/02/759080202.db2.gz FQRMYJUIRZQCHN-CVEARBPZSA-N 1 1 327.388 0.823 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001049680701 759082741 /nfs/dbraw/zinc/08/27/41/759082741.db2.gz RAONJRGSXDDJPZ-FVQBIDKESA-N 1 1 327.432 0.619 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)c(F)c1 ZINC001049690039 759103242 /nfs/dbraw/zinc/10/32/42/759103242.db2.gz FQWPQNZTAGPGFQ-CABCVRRESA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)c(F)c1 ZINC001049690039 759103246 /nfs/dbraw/zinc/10/32/46/759103246.db2.gz FQWPQNZTAGPGFQ-CABCVRRESA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)ccc1F ZINC001049692109 759105913 /nfs/dbraw/zinc/10/59/13/759105913.db2.gz PZRMKHHVGVJNAT-LSDHHAIUSA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)ccc1F ZINC001049692109 759105918 /nfs/dbraw/zinc/10/59/18/759105918.db2.gz PZRMKHHVGVJNAT-LSDHHAIUSA-N 1 1 330.363 0.748 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049725155 759136413 /nfs/dbraw/zinc/13/64/13/759136413.db2.gz VISASYOXZDHUMB-YIYPIFLZSA-N 1 1 341.839 0.837 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049725155 759136417 /nfs/dbraw/zinc/13/64/17/759136417.db2.gz VISASYOXZDHUMB-YIYPIFLZSA-N 1 1 341.839 0.837 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nnc(C)n3c2)[C@@H](O)C1 ZINC001083590715 759143635 /nfs/dbraw/zinc/14/36/35/759143635.db2.gz RXFIVMRMKYQVOY-CABCVRRESA-N 1 1 329.404 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cnnn1C ZINC001049741836 759155709 /nfs/dbraw/zinc/15/57/09/759155709.db2.gz QTMCQFWYGHNKEH-VQHPVUNQSA-N 1 1 345.447 0.972 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnnn1C ZINC001049741836 759155712 /nfs/dbraw/zinc/15/57/12/759155712.db2.gz QTMCQFWYGHNKEH-VQHPVUNQSA-N 1 1 345.447 0.972 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnsn3)C2)nn1 ZINC001022835863 759156078 /nfs/dbraw/zinc/15/60/78/759156078.db2.gz IMHFYNOQHBPDPZ-PHIMTYICSA-N 1 1 333.421 0.756 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(CC)no3)C2)nn1 ZINC001022835905 759156456 /nfs/dbraw/zinc/15/64/56/759156456.db2.gz KRHOKZXWSUCNTN-TXEJJXNPSA-N 1 1 345.407 0.850 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001049785589 759203426 /nfs/dbraw/zinc/20/34/26/759203426.db2.gz ZKENLSDOCPSHGI-ZIAGYGMSSA-N 1 1 325.372 0.747 20 30 ECEDMO N#Cc1cccc(CN2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC001030347943 762693528 /nfs/dbraw/zinc/69/35/28/762693528.db2.gz QCPWLZRISCHVFI-ROUUACIJSA-N 1 1 340.427 0.722 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2cnon2)C1=O ZINC001049796817 759221559 /nfs/dbraw/zinc/22/15/59/759221559.db2.gz GFMNVZOCRDYNQO-ILXRZTDVSA-N 1 1 345.403 0.535 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049813077 759245364 /nfs/dbraw/zinc/24/53/64/759245364.db2.gz XDAJNMRSDJWRPM-GJZGRUSLSA-N 1 1 344.415 0.827 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c(C)cc(C)nc1=O ZINC001049814449 759246373 /nfs/dbraw/zinc/24/63/73/759246373.db2.gz NBGUCUBSOIDKMX-HOTGVXAUSA-N 1 1 328.416 0.559 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049827388 759262168 /nfs/dbraw/zinc/26/21/68/759262168.db2.gz VPGXFHLYSFRULC-KBPBESRZSA-N 1 1 348.447 0.958 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049830792 759265866 /nfs/dbraw/zinc/26/58/66/759265866.db2.gz IABQNKQWAAWMGO-HUUCEWRRSA-N 1 1 348.447 0.960 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049845891 759293130 /nfs/dbraw/zinc/29/31/30/759293130.db2.gz CBTDICHLYQJNBJ-ZIAGYGMSSA-N 1 1 342.403 0.673 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)N(C)C)cn1 ZINC001049853871 759304151 /nfs/dbraw/zinc/30/41/51/759304151.db2.gz HXFSOKCKIRWYJB-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)N(C)C)cn1 ZINC001049853871 759304161 /nfs/dbraw/zinc/30/41/61/759304161.db2.gz HXFSOKCKIRWYJB-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)N(C)C)nc1 ZINC001049855193 759306802 /nfs/dbraw/zinc/30/68/02/759306802.db2.gz PPOPNTFVXLPRBC-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)N(C)C)nc1 ZINC001049855193 759306812 /nfs/dbraw/zinc/30/68/12/759306812.db2.gz PPOPNTFVXLPRBC-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001049869177 759320863 /nfs/dbraw/zinc/32/08/63/759320863.db2.gz DKQPZXUDZLSTBC-BBWFWOEESA-N 1 1 333.432 0.322 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001049869404 759322207 /nfs/dbraw/zinc/32/22/07/759322207.db2.gz GODGWIJJOGGKBZ-ZACQAIPSSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049871366 759325532 /nfs/dbraw/zinc/32/55/32/759325532.db2.gz LCCDJSKOKAWJJW-CHWSQXEVSA-N 1 1 334.420 0.568 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCc3ccccc32)C1 ZINC001047629556 759341761 /nfs/dbraw/zinc/34/17/61/759341761.db2.gz LGORKBKFXYNHCS-ROUUACIJSA-N 1 1 327.428 0.576 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001047630874 759346711 /nfs/dbraw/zinc/34/67/11/759346711.db2.gz BTGXWUPQCFRXDK-PMPSAXMXSA-N 1 1 335.448 0.160 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001047630874 759346722 /nfs/dbraw/zinc/34/67/22/759346722.db2.gz BTGXWUPQCFRXDK-PMPSAXMXSA-N 1 1 335.448 0.160 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049886380 759348770 /nfs/dbraw/zinc/34/87/70/759348770.db2.gz TXSGTUOUMNUQBY-KGLIPLIRSA-N 1 1 330.388 0.188 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)CN1CCOCC1)C2 ZINC001054240902 767853999 /nfs/dbraw/zinc/85/39/99/767853999.db2.gz FYBHHYBHLWASRG-IEBWSBKVSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)CN1CCOCC1)C2 ZINC001054240902 767854005 /nfs/dbraw/zinc/85/40/05/767854005.db2.gz FYBHHYBHLWASRG-IEBWSBKVSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cncc(C(N)=O)c1 ZINC001049901155 759379448 /nfs/dbraw/zinc/37/94/48/759379448.db2.gz XIZSRHQNLNRONK-HZPDHXFCSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(Cn3cccn3)on2)[C@H](C)C1 ZINC000944082424 759380324 /nfs/dbraw/zinc/38/03/24/759380324.db2.gz WQGCGHNJYHNNBH-HIFRSBDPSA-N 1 1 327.388 0.993 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(Cn3cccn3)on2)[C@H](C)C1 ZINC000944082426 759381231 /nfs/dbraw/zinc/38/12/31/759381231.db2.gz WQGCGHNJYHNNBH-UKRRQHHQSA-N 1 1 327.388 0.993 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001047640803 759384654 /nfs/dbraw/zinc/38/46/54/759384654.db2.gz HCQUSJVIRSPFIG-KBPBESRZSA-N 1 1 329.356 0.674 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1COCCN1C(C)=O ZINC001049904798 759387305 /nfs/dbraw/zinc/38/73/05/759387305.db2.gz RTMQMZPYADGWGE-GVDBMIGSSA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(COC)n2)C1 ZINC001047644384 759392694 /nfs/dbraw/zinc/39/26/94/759392694.db2.gz AAVXSYFNSLCQKS-STQMWFEESA-N 1 1 325.434 0.983 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(COC)n2)C1 ZINC001047644384 759392704 /nfs/dbraw/zinc/39/27/04/759392704.db2.gz AAVXSYFNSLCQKS-STQMWFEESA-N 1 1 325.434 0.983 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccn(C)c1=O ZINC001089890263 759401274 /nfs/dbraw/zinc/40/12/74/759401274.db2.gz QZRWKCDFVXVRPP-LLLHUVSDSA-N 1 1 325.412 0.801 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nncn2C1 ZINC001049922482 759407153 /nfs/dbraw/zinc/40/71/53/759407153.db2.gz ZDNFFXFSOSOYNQ-ARFHVFGLSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nncn2C1 ZINC001049922488 759407460 /nfs/dbraw/zinc/40/74/60/759407460.db2.gz ZDNFFXFSOSOYNQ-OWCLPIDISA-N 1 1 327.432 0.929 20 30 ECEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@H](OC)C1 ZINC001212134198 759553230 /nfs/dbraw/zinc/55/32/30/759553230.db2.gz NERCIBRDOBKCMJ-BRWVUGGUSA-N 1 1 339.480 0.879 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)CC(C)(C)O)[C@@H]3C2)C1=O ZINC001050034356 759588742 /nfs/dbraw/zinc/58/87/42/759588742.db2.gz GHJLRXHHLSOAOV-ARFHVFGLSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001050061592 759636916 /nfs/dbraw/zinc/63/69/16/759636916.db2.gz PNMOTVZWAOGBRH-ARFHVFGLSA-N 1 1 335.448 0.590 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3nc(C)c(C)[nH]c3=O)[C@@H]2C1 ZINC001050075621 759660396 /nfs/dbraw/zinc/66/03/96/759660396.db2.gz JEJYKXUHFLGLAT-LSDHHAIUSA-N 1 1 328.416 0.946 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1cc(C)[nH+]c(C)n1 ZINC001125100025 759676236 /nfs/dbraw/zinc/67/62/36/759676236.db2.gz HVHHXYXJVJCGTJ-YOEHRIQHSA-N 1 1 336.436 0.676 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1ccncc1C#N ZINC001050106193 759715939 /nfs/dbraw/zinc/71/59/39/759715939.db2.gz LKGYFSHCDRIJNL-IVMMDQJWSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1ccncc1C#N ZINC001050106193 759715942 /nfs/dbraw/zinc/71/59/42/759715942.db2.gz LKGYFSHCDRIJNL-IVMMDQJWSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1ncc(C#N)cc1F ZINC001050106217 759716777 /nfs/dbraw/zinc/71/67/77/759716777.db2.gz MLCMKUIEEDLHLH-UGFHNGPFSA-N 1 1 347.394 0.506 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1ncc(C#N)cc1F ZINC001050106217 759716785 /nfs/dbraw/zinc/71/67/85/759716785.db2.gz MLCMKUIEEDLHLH-UGFHNGPFSA-N 1 1 347.394 0.506 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccnc4c3nnn4C)[C@@H]2C1 ZINC001050127115 759762503 /nfs/dbraw/zinc/76/25/03/759762503.db2.gz LJYVYSFJSZMBKO-DZGCQCFKSA-N 1 1 338.415 0.923 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001050138772 759784635 /nfs/dbraw/zinc/78/46/35/759784635.db2.gz QZKNJPRWUPAOQJ-XUWVNRHRSA-N 1 1 335.448 0.908 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1=O ZINC000348493926 759845069 /nfs/dbraw/zinc/84/50/69/759845069.db2.gz CXGMCAJFFCTXMI-IHRRRGAJSA-N 1 1 339.436 0.997 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(C1)C[C@H](NC(C)=O)c1ccccc1O2 ZINC001111529201 759857389 /nfs/dbraw/zinc/85/73/89/759857389.db2.gz GLRCJCHTRWUNOD-LPHOPBHVSA-N 1 1 341.411 0.840 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@]2(C1)C[C@H](NC(C)=O)c1ccccc1O2 ZINC001111529201 759857393 /nfs/dbraw/zinc/85/73/93/759857393.db2.gz GLRCJCHTRWUNOD-LPHOPBHVSA-N 1 1 341.411 0.840 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)cn1 ZINC001050186748 759900668 /nfs/dbraw/zinc/90/06/68/759900668.db2.gz VBMKHZHNBOKEGC-UKPHBRMFSA-N 1 1 340.427 0.734 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3nc4nccc(C)n4n3)[C@@H]2C1 ZINC001050193028 759910084 /nfs/dbraw/zinc/91/00/84/759910084.db2.gz ZPDBWNXEMWIYLE-LSDHHAIUSA-N 1 1 338.415 0.992 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc3c(c2)CN(CC#N)C3)C1 ZINC001054292584 767901061 /nfs/dbraw/zinc/90/10/61/767901061.db2.gz MHNHLGHFGQWZNW-KRWDZBQOSA-N 1 1 328.416 0.863 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCc2ccc3c(c2)CN(CC#N)C3)C1 ZINC001054292584 767901063 /nfs/dbraw/zinc/90/10/63/767901063.db2.gz MHNHLGHFGQWZNW-KRWDZBQOSA-N 1 1 328.416 0.863 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050204694 759938602 /nfs/dbraw/zinc/93/86/02/759938602.db2.gz JSLBHYPZNNIAAV-BFHYXJOUSA-N 1 1 327.450 0.177 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ncn2)[C@@H](O)C1 ZINC001083637186 759990831 /nfs/dbraw/zinc/99/08/31/759990831.db2.gz JGGWDHKQTAEEIS-MNOVXSKESA-N 1 1 330.310 0.846 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001012445871 760013969 /nfs/dbraw/zinc/01/39/69/760013969.db2.gz KVHJAABWIQLEOY-RISCZKNCSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+][C@@H](C)c1nnnn1C1CCCCC1 ZINC001127031530 760020274 /nfs/dbraw/zinc/02/02/74/760020274.db2.gz GYVGERZSDKGFAL-AWEZNQCLSA-N 1 1 348.451 0.985 20 30 ECEDMO C[C@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C)c1nnnn1C ZINC000995688744 760061627 /nfs/dbraw/zinc/06/16/27/760061627.db2.gz MHAXBKZEPXYXGO-GXFFZTMASA-N 1 1 342.407 0.611 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001012489543 760074153 /nfs/dbraw/zinc/07/41/53/760074153.db2.gz NGDCGMYOLYNXOI-FZMZJTMJSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083645547 760337489 /nfs/dbraw/zinc/33/74/89/760337489.db2.gz GLDNQVPQPPOXJS-SJORKVTESA-N 1 1 339.399 0.425 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)C(C)(C)CN3CCOCC3)C2)CC1 ZINC001050562503 760499867 /nfs/dbraw/zinc/49/98/67/760499867.db2.gz YISPEOJLLVIECK-UHFFFAOYSA-N 1 1 333.476 0.902 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 ZINC001083649755 760504674 /nfs/dbraw/zinc/50/46/74/760504674.db2.gz OKRLHYUOEPKAEL-KGLIPLIRSA-N 1 1 330.392 0.104 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC000995780914 760644494 /nfs/dbraw/zinc/64/44/94/760644494.db2.gz ZXGRAJAHGKEKNV-CQSZACIVSA-N 1 1 330.436 0.994 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050672273 760652412 /nfs/dbraw/zinc/65/24/12/760652412.db2.gz HLRCLAVQSQKVQN-CJNGLKHVSA-N 1 1 328.416 0.958 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001048546141 760693879 /nfs/dbraw/zinc/69/38/79/760693879.db2.gz YHQIZIULGIJCPE-JONQDZQNSA-N 1 1 338.473 0.804 20 30 ECEDMO CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1NCC#N ZINC000995900785 760746895 /nfs/dbraw/zinc/74/68/95/760746895.db2.gz ZFCJKHMKMXPRRF-HZPDHXFCSA-N 1 1 334.464 0.980 20 30 ECEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001048588981 760764358 /nfs/dbraw/zinc/76/43/58/760764358.db2.gz XLDAYVLNRUSXRY-LXTVHRRPSA-N 1 1 341.477 0.613 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995913851 760809225 /nfs/dbraw/zinc/80/92/25/760809225.db2.gz ATIPQPGWCKGBJX-GJZGRUSLSA-N 1 1 344.463 0.239 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1Cc1ccc(C#N)cc1 ZINC001050848170 760991675 /nfs/dbraw/zinc/99/16/75/760991675.db2.gz CPPMCMMMYDNGAG-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C4=COCCC4)C[C@H]3C2)C1=O ZINC001048718318 761019358 /nfs/dbraw/zinc/01/93/58/761019358.db2.gz KIWXZRAKPTUVHG-BBWFWOEESA-N 1 1 345.443 0.858 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)[C@@H](O)C1 ZINC001083675332 761034548 /nfs/dbraw/zinc/03/45/48/761034548.db2.gz WUODWHPBMCULNL-YUELXQCFSA-N 1 1 334.420 0.275 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)[C@@H](O)C1 ZINC001083675332 761034557 /nfs/dbraw/zinc/03/45/57/761034557.db2.gz WUODWHPBMCULNL-YUELXQCFSA-N 1 1 334.420 0.275 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CCOCC2)c[nH]1 ZINC001050879819 761060281 /nfs/dbraw/zinc/06/02/81/761060281.db2.gz ICZWGUJEGUKMAY-INIZCTEOSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2CC2CCOCC2)c[nH]1 ZINC001050879819 761060290 /nfs/dbraw/zinc/06/02/90/761060290.db2.gz ICZWGUJEGUKMAY-INIZCTEOSA-N 1 1 332.404 0.744 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001017463038 768010271 /nfs/dbraw/zinc/01/02/71/768010271.db2.gz UCKRDMRKRRFNGG-CQSZACIVSA-N 1 1 341.415 0.727 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)C[C@@H]3C2)[nH]1 ZINC001048763912 761136121 /nfs/dbraw/zinc/13/61/21/761136121.db2.gz HRNMKHULSUJWGZ-OKILXGFUSA-N 1 1 341.415 0.513 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCOC(C)C)C1 ZINC001111605937 761200533 /nfs/dbraw/zinc/20/05/33/761200533.db2.gz HXXFPRLZWPJHFH-YJBOKZPZSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1nocc1C ZINC001050962032 761230420 /nfs/dbraw/zinc/23/04/20/761230420.db2.gz CYNMSKZFVYHCPI-WBVHZDCISA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1nocc1C ZINC001050962032 761230424 /nfs/dbraw/zinc/23/04/24/761230424.db2.gz CYNMSKZFVYHCPI-WBVHZDCISA-N 1 1 346.431 0.398 20 30 ECEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cnn(C)c1)C2 ZINC001111525299 761230823 /nfs/dbraw/zinc/23/08/23/761230823.db2.gz UZHXFQYXCLSSEO-DZUCGIPZSA-N 1 1 330.432 0.895 20 30 ECEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cnn(C)c1)C2 ZINC001111525299 761230827 /nfs/dbraw/zinc/23/08/27/761230827.db2.gz UZHXFQYXCLSSEO-DZUCGIPZSA-N 1 1 330.432 0.895 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CN(C)C(=O)C3CC3)CC2)C1 ZINC001105713570 761235855 /nfs/dbraw/zinc/23/58/55/761235855.db2.gz KSRYJFLBMIQFNX-UHFFFAOYSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)CCN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001050984814 761275544 /nfs/dbraw/zinc/27/55/44/761275544.db2.gz BYXDMNUTRSSKIN-OWCLPIDISA-N 1 1 325.453 0.489 20 30 ECEDMO C=C(C)CCN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001050984814 761275548 /nfs/dbraw/zinc/27/55/48/761275548.db2.gz BYXDMNUTRSSKIN-OWCLPIDISA-N 1 1 325.453 0.489 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@H]1OC ZINC001212152695 761421977 /nfs/dbraw/zinc/42/19/77/761421977.db2.gz YMOPMJDFOWVPCD-USXIJHARSA-N 1 1 343.427 0.703 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082379 761456449 /nfs/dbraw/zinc/45/64/49/761456449.db2.gz ZSRUNYIAZIXLBE-JKSUJKDBSA-N 1 1 325.453 0.489 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)c1 ZINC001051107371 761503128 /nfs/dbraw/zinc/50/31/28/761503128.db2.gz SKKYTTPAHFWXMF-FUHWJXTLSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H]2CCCOC2)c1 ZINC001051107371 761503130 /nfs/dbraw/zinc/50/31/30/761503130.db2.gz SKKYTTPAHFWXMF-FUHWJXTLSA-N 1 1 343.427 0.920 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001054548894 768038429 /nfs/dbraw/zinc/03/84/29/768038429.db2.gz QNCFJGLASDIACY-SMDDNHRTSA-N 1 1 342.407 0.704 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001077451398 761562460 /nfs/dbraw/zinc/56/24/60/761562460.db2.gz ISLXRYPTBMXEMB-MGPQQGTHSA-N 1 1 330.450 0.081 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001077451398 761562467 /nfs/dbraw/zinc/56/24/67/761562467.db2.gz ISLXRYPTBMXEMB-MGPQQGTHSA-N 1 1 330.450 0.081 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)cn1 ZINC001051211310 761697348 /nfs/dbraw/zinc/69/73/48/761697348.db2.gz CSCJNPYYUDJCII-MAUKXSAKSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H]2CCCOC2)cn1 ZINC001051211310 761697350 /nfs/dbraw/zinc/69/73/50/761697350.db2.gz CSCJNPYYUDJCII-MAUKXSAKSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H]2CCCOC2)nc1 ZINC001051213844 761703346 /nfs/dbraw/zinc/70/33/46/761703346.db2.gz FTLCQTZPEHFGCY-SJORKVTESA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@H]2CCCOC2)nc1 ZINC001051213844 761703353 /nfs/dbraw/zinc/70/33/53/761703353.db2.gz FTLCQTZPEHFGCY-SJORKVTESA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H]2CCOC2)cn1 ZINC001051217417 761709533 /nfs/dbraw/zinc/70/95/33/761709533.db2.gz RXBCBIMXGIIRQF-RHSMWYFYSA-N 1 1 329.400 0.530 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H]2CCOC2)cn1 ZINC001051217417 761709539 /nfs/dbraw/zinc/70/95/39/761709539.db2.gz RXBCBIMXGIIRQF-RHSMWYFYSA-N 1 1 329.400 0.530 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2Cc2ccc(C#N)cc2)C1 ZINC001051242859 761747887 /nfs/dbraw/zinc/74/78/87/761747887.db2.gz YSBQUJXOCOUXMC-ROUUACIJSA-N 1 1 342.443 0.827 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)c3nccnc3C(N)=O)cccc2C1 ZINC001051306809 761858801 /nfs/dbraw/zinc/85/88/01/761858801.db2.gz RAAAQWPHAWOLBI-UHFFFAOYSA-N 1 1 349.394 0.497 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C#N ZINC001105914602 762710980 /nfs/dbraw/zinc/71/09/80/762710980.db2.gz YSMVHQQNFUFKEN-DZGCQCFKSA-N 1 1 331.420 0.493 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@H](C)CCNc1nc(C)[nH+]c(C)c1C ZINC001106285561 768070997 /nfs/dbraw/zinc/07/09/97/768070997.db2.gz TWDHCVZZXOWLJV-LLVKDONJSA-N 1 1 331.420 0.848 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1=O ZINC001014618528 762912817 /nfs/dbraw/zinc/91/28/17/762912817.db2.gz RKKBYIVCDXXQHE-DOTOQJQBSA-N 1 1 343.402 0.846 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1=O ZINC001014618528 762912820 /nfs/dbraw/zinc/91/28/20/762912820.db2.gz RKKBYIVCDXXQHE-DOTOQJQBSA-N 1 1 343.402 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001017536623 768092418 /nfs/dbraw/zinc/09/24/18/768092418.db2.gz IQCMMOOEAIQJJV-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001017536623 768092425 /nfs/dbraw/zinc/09/24/25/768092425.db2.gz IQCMMOOEAIQJJV-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2cocn2)CC1 ZINC001017538003 768094018 /nfs/dbraw/zinc/09/40/18/768094018.db2.gz QOBVAVWQLOHVNW-INIZCTEOSA-N 1 1 342.399 0.661 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2cocn2)CC1 ZINC001017538003 768094026 /nfs/dbraw/zinc/09/40/26/768094026.db2.gz QOBVAVWQLOHVNW-INIZCTEOSA-N 1 1 342.399 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001017539622 768095146 /nfs/dbraw/zinc/09/51/46/768095146.db2.gz ZJRNHDLJWFYRQH-SJORKVTESA-N 1 1 345.443 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001017539622 768095150 /nfs/dbraw/zinc/09/51/50/768095150.db2.gz ZJRNHDLJWFYRQH-SJORKVTESA-N 1 1 345.443 0.395 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn4c3CCC4)C2)C1=O ZINC001014658725 762966302 /nfs/dbraw/zinc/96/63/02/762966302.db2.gz MLQWHVKHVNWEJT-XJKSGUPXSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn4c3CCC4)C2)C1=O ZINC001014658725 762966305 /nfs/dbraw/zinc/96/63/05/762966305.db2.gz MLQWHVKHVNWEJT-XJKSGUPXSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnn(C)c3C)C2)C1=O ZINC001014677711 762985620 /nfs/dbraw/zinc/98/56/20/762985620.db2.gz JFLXNNLBYBTLDO-HOTGVXAUSA-N 1 1 345.447 0.248 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cnn(C)c3C)C2)C1=O ZINC001014677711 762985624 /nfs/dbraw/zinc/98/56/24/762985624.db2.gz JFLXNNLBYBTLDO-HOTGVXAUSA-N 1 1 345.447 0.248 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1Cl ZINC001105944424 762989693 /nfs/dbraw/zinc/98/96/93/762989693.db2.gz PZFPLBBHCVWOTN-GFCCVEGCSA-N 1 1 339.827 0.837 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@H](C[NH2+]Cc3ncnn3C)C2)CC1 ZINC001051801528 762998613 /nfs/dbraw/zinc/99/86/13/762998613.db2.gz LVOILHVKAUMQJA-OAHLLOKOSA-N 1 1 333.436 0.879 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051804170 763003173 /nfs/dbraw/zinc/00/31/73/763003173.db2.gz WZRJQXCVFNQVOO-BLLLJJGKSA-N 1 1 337.424 0.028 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)s1 ZINC001014709821 763023134 /nfs/dbraw/zinc/02/31/34/763023134.db2.gz DFCOQEPREBCVHD-NEPJUHHUSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)s1 ZINC001014709821 763023142 /nfs/dbraw/zinc/02/31/42/763023142.db2.gz DFCOQEPREBCVHD-NEPJUHHUSA-N 1 1 332.429 0.836 20 30 ECEDMO O=C(C[C@H]1CCNC1=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014709566 763023195 /nfs/dbraw/zinc/02/31/95/763023195.db2.gz BODCQRDZNYZFCS-WBVHZDCISA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(C[C@H]1CCNC1=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014709566 763023198 /nfs/dbraw/zinc/02/31/98/763023198.db2.gz BODCQRDZNYZFCS-WBVHZDCISA-N 1 1 343.402 0.894 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)cc1 ZINC001014712341 763027441 /nfs/dbraw/zinc/02/74/41/763027441.db2.gz RXIIBQHEYKLJDK-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)[nH]3)C2)c1 ZINC001051815963 763030208 /nfs/dbraw/zinc/03/02/08/763030208.db2.gz GGXGNMVGDDGMLT-OAHLLOKOSA-N 1 1 340.387 0.120 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC001046783553 763120722 /nfs/dbraw/zinc/12/07/22/763120722.db2.gz QZTGMEFVNFGWKF-ACJLOTCBSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC001046783553 763120727 /nfs/dbraw/zinc/12/07/27/763120727.db2.gz QZTGMEFVNFGWKF-ACJLOTCBSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cnn(CC)n2)C1 ZINC001014769382 763123895 /nfs/dbraw/zinc/12/38/95/763123895.db2.gz KOGNMWRRIPPWHU-ZBFHGGJFSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cnn(CC)n2)C1 ZINC001014769382 763123898 /nfs/dbraw/zinc/12/38/98/763123898.db2.gz KOGNMWRRIPPWHU-ZBFHGGJFSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1cn(CC)nn1 ZINC001089842140 763125186 /nfs/dbraw/zinc/12/51/86/763125186.db2.gz IJVMKGCRFBAMKO-SVGFKBNWSA-N 1 1 327.432 0.643 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cccnc2OC)C1 ZINC001014770866 763128430 /nfs/dbraw/zinc/12/84/30/763128430.db2.gz UWBNMIINRIMMIM-SJORKVTESA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cccnc2OC)C1 ZINC001014770866 763128435 /nfs/dbraw/zinc/12/84/35/763128435.db2.gz UWBNMIINRIMMIM-SJORKVTESA-N 1 1 342.443 0.878 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nccs3)C2)nn1 ZINC001051859608 763132844 /nfs/dbraw/zinc/13/28/44/763132844.db2.gz CQONAZOLJFSJKW-LBPRGKRZSA-N 1 1 348.432 0.551 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3nccs3)C2)nn1 ZINC001051859607 763133428 /nfs/dbraw/zinc/13/34/28/763133428.db2.gz CQONAZOLJFSJKW-GFCCVEGCSA-N 1 1 348.432 0.551 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001046829820 763188445 /nfs/dbraw/zinc/18/84/45/763188445.db2.gz LYPGLJOPRIQXPB-QEJZJMRPSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001046829820 763188448 /nfs/dbraw/zinc/18/84/48/763188448.db2.gz LYPGLJOPRIQXPB-QEJZJMRPSA-N 1 1 344.419 0.376 20 30 ECEDMO Cc1ccc(C#N)c(NC2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001051879612 763191917 /nfs/dbraw/zinc/19/19/17/763191917.db2.gz ZSPNQHPLDYIDJJ-BCLQGDPASA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1ccc(C#N)c(NC2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001051879612 763191922 /nfs/dbraw/zinc/19/19/22/763191922.db2.gz ZSPNQHPLDYIDJJ-BCLQGDPASA-N 1 1 343.431 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001014840799 763286928 /nfs/dbraw/zinc/28/69/28/763286928.db2.gz UIBFAODFEABPLG-NEPJUHHUSA-N 1 1 333.392 0.015 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001014840799 763286936 /nfs/dbraw/zinc/28/69/36/763286936.db2.gz UIBFAODFEABPLG-NEPJUHHUSA-N 1 1 333.392 0.015 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)cc1 ZINC001014861826 763324637 /nfs/dbraw/zinc/32/46/37/763324637.db2.gz XVFJTGHYLKZQQP-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046926504 763398647 /nfs/dbraw/zinc/39/86/47/763398647.db2.gz PTHCCAQOVBHXDU-ZIAGYGMSSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(CCCC)no2)C1 ZINC001030461951 763433540 /nfs/dbraw/zinc/43/35/40/763433540.db2.gz DRBITLORDAOICU-HNNXBMFYSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(CCCC)no2)C1 ZINC001030461951 763433548 /nfs/dbraw/zinc/43/35/48/763433548.db2.gz DRBITLORDAOICU-HNNXBMFYSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(C(F)F)no2)C1 ZINC001030461990 763433622 /nfs/dbraw/zinc/43/36/22/763433622.db2.gz GIQXSTSZAQVOJD-NSHDSACASA-N 1 1 339.346 0.405 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(C(F)F)no2)C1 ZINC001030461990 763433628 /nfs/dbraw/zinc/43/36/28/763433628.db2.gz GIQXSTSZAQVOJD-NSHDSACASA-N 1 1 339.346 0.405 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001046948894 763441391 /nfs/dbraw/zinc/44/13/91/763441391.db2.gz ORSZJYHVVDFXAL-MGPQQGTHSA-N 1 1 331.407 0.965 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccn(C(C)C)n2)C1 ZINC001030462941 763451567 /nfs/dbraw/zinc/45/15/67/763451567.db2.gz AJDQOQGTZPSVQI-KRWDZBQOSA-N 1 1 329.448 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccn(C(C)C)n2)C1 ZINC001030462941 763451570 /nfs/dbraw/zinc/45/15/70/763451570.db2.gz AJDQOQGTZPSVQI-KRWDZBQOSA-N 1 1 329.448 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C3CC3)s2)C1 ZINC001030463988 763454826 /nfs/dbraw/zinc/45/48/26/763454826.db2.gz CEKNYAOYVULSFU-AWEZNQCLSA-N 1 1 345.472 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C3CC3)s2)C1 ZINC001030463988 763454835 /nfs/dbraw/zinc/45/48/35/763454835.db2.gz CEKNYAOYVULSFU-AWEZNQCLSA-N 1 1 345.472 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C[C@H](O)C2CCCCC2)C1 ZINC001030464221 763456025 /nfs/dbraw/zinc/45/60/25/763456025.db2.gz LFNJNCYSYDFCPG-ROUUACIJSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C[C@H](O)C2CCCCC2)C1 ZINC001030464221 763456030 /nfs/dbraw/zinc/45/60/30/763456030.db2.gz LFNJNCYSYDFCPG-ROUUACIJSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001030464221 763456038 /nfs/dbraw/zinc/45/60/38/763456038.db2.gz LFNJNCYSYDFCPG-ROUUACIJSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001030464416 763458215 /nfs/dbraw/zinc/45/82/15/763458215.db2.gz RXJXAJSOUXKDAS-AWEZNQCLSA-N 1 1 328.420 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001030464416 763458222 /nfs/dbraw/zinc/45/82/22/763458222.db2.gz RXJXAJSOUXKDAS-AWEZNQCLSA-N 1 1 328.420 0.080 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046962520 763471364 /nfs/dbraw/zinc/47/13/64/763471364.db2.gz MLHMCBTUUYHHCL-RYUDHWBXSA-N 1 1 328.363 0.107 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031901642 763475902 /nfs/dbraw/zinc/47/59/02/763475902.db2.gz LFJBLABMZPICGP-KRWDZBQOSA-N 1 1 325.412 0.707 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001105995147 763483445 /nfs/dbraw/zinc/48/34/45/763483445.db2.gz NZGDEZBLAWDZFJ-HZPDHXFCSA-N 1 1 345.447 0.527 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046969959 763488978 /nfs/dbraw/zinc/48/89/78/763488978.db2.gz HVXIOLWNECFSOH-FRRDWIJNSA-N 1 1 343.374 0.116 20 30 ECEDMO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCCc3[nH+]ccn32)cn1 ZINC001105995269 763493938 /nfs/dbraw/zinc/49/39/38/763493938.db2.gz QUXSYNSZQXTIQA-HUUCEWRRSA-N 1 1 340.387 0.616 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCC2(F)F)nn1 ZINC001046981201 763502114 /nfs/dbraw/zinc/50/21/14/763502114.db2.gz VYIBJHURGIIVLT-LBPRGKRZSA-N 1 1 343.378 0.534 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)CC1 ZINC001051987558 763522382 /nfs/dbraw/zinc/52/23/82/763522382.db2.gz QFJHKBSCKQROCA-MRXNPFEDSA-N 1 1 329.448 0.828 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001046992364 763526999 /nfs/dbraw/zinc/52/69/99/763526999.db2.gz SUKSJTAMXQUIRE-ZIAGYGMSSA-N 1 1 345.390 0.493 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccnc(-n3cccn3)c2)[C@@H](O)C1 ZINC001083769946 763541069 /nfs/dbraw/zinc/54/10/69/763541069.db2.gz NTOXUOPLEBLOAM-CABCVRRESA-N 1 1 325.372 0.066 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001047022795 763562806 /nfs/dbraw/zinc/56/28/06/763562806.db2.gz BZHGKUIENQEGLO-XDQVBPFNSA-N 1 1 328.420 0.275 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 ZINC001047023990 763564490 /nfs/dbraw/zinc/56/44/90/763564490.db2.gz WGKUODBKBOIKKX-RGCMKSIDSA-N 1 1 328.420 0.853 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001052025431 763616290 /nfs/dbraw/zinc/61/62/90/763616290.db2.gz DIDAOYHXCSENED-MSOLQXFVSA-N 1 1 332.492 0.711 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033325 763636350 /nfs/dbraw/zinc/63/63/50/763636350.db2.gz OYDZZTVAPLKATK-IRXDYDNUSA-N 1 1 348.491 0.648 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033325 763636359 /nfs/dbraw/zinc/63/63/59/763636359.db2.gz OYDZZTVAPLKATK-IRXDYDNUSA-N 1 1 348.491 0.648 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052035800 763645477 /nfs/dbraw/zinc/64/54/77/763645477.db2.gz QITCJZNWZJJRAM-INIZCTEOSA-N 1 1 329.448 0.847 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001077574177 763647380 /nfs/dbraw/zinc/64/73/80/763647380.db2.gz DDHRGGHDVYVRLH-YNEHKIRRSA-N 1 1 333.354 0.055 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)CC1 ZINC001052041629 763668406 /nfs/dbraw/zinc/66/84/06/763668406.db2.gz NJRAYTVFZRQFBH-APWZRJJASA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C2)CC1 ZINC001052042237 763670693 /nfs/dbraw/zinc/67/06/93/763670693.db2.gz ZTSJXHDGVKILJL-INIZCTEOSA-N 1 1 329.448 0.366 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C2)CC1 ZINC001052043205 763673554 /nfs/dbraw/zinc/67/35/54/763673554.db2.gz REPKFVRMQSZRIV-QGZVFWFLSA-N 1 1 330.407 0.615 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)CC1 ZINC001052044934 763681117 /nfs/dbraw/zinc/68/11/17/763681117.db2.gz NWCFJHTUEGABRU-IRXDYDNUSA-N 1 1 343.475 0.850 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)C2)CC1 ZINC001052044984 763681129 /nfs/dbraw/zinc/68/11/29/763681129.db2.gz PGHLORXVKMKENT-AEFFLSMTSA-N 1 1 341.459 0.297 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@H](O)CNc2ncccc2C#N)no1 ZINC001106010095 763687470 /nfs/dbraw/zinc/68/74/70/763687470.db2.gz NTLMUALFXDEODV-GFCCVEGCSA-N 1 1 344.375 0.206 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001052046388 763687770 /nfs/dbraw/zinc/68/77/70/763687770.db2.gz ZZHCFDIIIRXOFA-KBPBESRZSA-N 1 1 340.493 0.796 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC001052048090 763694159 /nfs/dbraw/zinc/69/41/59/763694159.db2.gz KSBOPHNBYRVQGD-INIZCTEOSA-N 1 1 334.464 0.403 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC001052048090 763694162 /nfs/dbraw/zinc/69/41/62/763694162.db2.gz KSBOPHNBYRVQGD-INIZCTEOSA-N 1 1 334.464 0.403 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc(C)nn3C)C2)CC1 ZINC001052049444 763701546 /nfs/dbraw/zinc/70/15/46/763701546.db2.gz LWJHCXYQJMITFB-QGZVFWFLSA-N 1 1 343.475 0.513 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001052050634 763707442 /nfs/dbraw/zinc/70/74/42/763707442.db2.gz LMCLKOCPPOFWSP-JSGCOSHPSA-N 1 1 349.460 0.659 20 30 ECEDMO NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC001047134053 763708680 /nfs/dbraw/zinc/70/86/80/763708680.db2.gz XKNATSKPHZTKBS-IMJJTQAJSA-N 1 1 329.375 0.632 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)CC1 ZINC001052055298 763723839 /nfs/dbraw/zinc/72/38/39/763723839.db2.gz JWZOTYCGTDSXGE-ZACQAIPSSA-N 1 1 332.448 0.544 20 30 ECEDMO Cc1cc(C)n(CCC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052059219 763736145 /nfs/dbraw/zinc/73/61/45/763736145.db2.gz DDJIMUXUCMACRD-KRWDZBQOSA-N 1 1 344.463 0.632 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)cnn3C)C2)CC1 ZINC001052067451 763759066 /nfs/dbraw/zinc/75/90/66/763759066.db2.gz JZBFLUMDGNGZEP-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCc4cccnc43)C2)CC1 ZINC001052069026 763764601 /nfs/dbraw/zinc/76/46/01/763764601.db2.gz PAZOREXVMAEPIO-IRXDYDNUSA-N 1 1 339.443 0.853 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)nc(OC)c3)C2)CC1 ZINC001052070062 763767186 /nfs/dbraw/zinc/76/71/86/763767186.db2.gz CHTJSQVZAGULCD-KRWDZBQOSA-N 1 1 342.443 0.864 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001047178125 763771777 /nfs/dbraw/zinc/77/17/77/763771777.db2.gz RUSMCMAVAKHTMX-IHRRRGAJSA-N 1 1 344.415 0.714 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ncccc3F)C2)CC1 ZINC001052071536 763772115 /nfs/dbraw/zinc/77/21/15/763772115.db2.gz VFVACAXLAAXINQ-CQSZACIVSA-N 1 1 331.395 0.505 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3cncnc3)C2)CC1 ZINC001052071748 763773547 /nfs/dbraw/zinc/77/35/47/763773547.db2.gz YRYLUALYKTWUSK-FUHWJXTLSA-N 1 1 341.459 0.822 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)CC[N@H+]1C ZINC001052071719 763773708 /nfs/dbraw/zinc/77/37/08/763773708.db2.gz XWVGAXXLWPUBLS-ULQDDVLXSA-N 1 1 333.480 0.459 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(OC)cn3)C2)CC1 ZINC001052071746 763773931 /nfs/dbraw/zinc/77/39/31/763773931.db2.gz YOUWUYMFJRCQLV-QGZVFWFLSA-N 1 1 342.443 0.484 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052079228 763792267 /nfs/dbraw/zinc/79/22/67/763792267.db2.gz GOISZTXYLKQYQR-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052079228 763792273 /nfs/dbraw/zinc/79/22/73/763792273.db2.gz GOISZTXYLKQYQR-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3Cc4ccncc4C3)C2)CC1 ZINC001052084688 763809699 /nfs/dbraw/zinc/80/96/99/763809699.db2.gz XAQWWVWVEAPKIR-SJLPKXTDSA-N 1 1 339.443 0.538 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001047216775 763811458 /nfs/dbraw/zinc/81/14/58/763811458.db2.gz INSHEUVZYRUOSL-MJBXVCDLSA-N 1 1 328.420 0.561 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4c(c3)CCO4)C2)CC1 ZINC001052087475 763817890 /nfs/dbraw/zinc/81/78/90/763817890.db2.gz WTOFVKPESOTKOW-QGZVFWFLSA-N 1 1 340.427 0.977 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cn(C)nc3C)C2)CC1 ZINC001052092440 763832669 /nfs/dbraw/zinc/83/26/69/763832669.db2.gz DXZGYOHFWXOHPT-GOSISDBHSA-N 1 1 343.475 0.513 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052092750 763834570 /nfs/dbraw/zinc/83/45/70/763834570.db2.gz IDEDWZQFKJMLLB-MRXNPFEDSA-N 1 1 344.463 0.749 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ocnc3CC)C2)C1=O ZINC001031964554 763834639 /nfs/dbraw/zinc/83/46/39/763834639.db2.gz FRYRTHCXLSRHBC-CQSZACIVSA-N 1 1 332.404 0.686 20 30 ECEDMO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052098966 763856244 /nfs/dbraw/zinc/85/62/44/763856244.db2.gz SEIKWTGEDUYYHV-CJNGLKHVSA-N 1 1 344.463 0.872 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C2)CC1 ZINC001052099849 763859437 /nfs/dbraw/zinc/85/94/37/763859437.db2.gz SPPBOVCXVYYASS-HNNXBMFYSA-N 1 1 345.447 0.281 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C2)CC1 ZINC001052099849 763859444 /nfs/dbraw/zinc/85/94/44/763859444.db2.gz SPPBOVCXVYYASS-HNNXBMFYSA-N 1 1 345.447 0.281 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)CC1 ZINC001052105899 763876947 /nfs/dbraw/zinc/87/69/47/763876947.db2.gz UXIFWJZFMCBMGY-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 ZINC001031972714 763889993 /nfs/dbraw/zinc/88/99/93/763889993.db2.gz BRUMKUQLFXEWHS-JKSUJKDBSA-N 1 1 342.399 0.139 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c4cccnc34)C2)CC1 ZINC001052108224 763890595 /nfs/dbraw/zinc/89/05/95/763890595.db2.gz KYWVAUHAOXAHIR-CQSZACIVSA-N 1 1 338.415 0.919 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC001052110579 763901283 /nfs/dbraw/zinc/90/12/83/763901283.db2.gz SZYKDWLGPYFFKZ-INIZCTEOSA-N 1 1 342.443 0.241 20 30 ECEDMO Cc1ccc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052117221 763926796 /nfs/dbraw/zinc/92/67/96/763926796.db2.gz BWODPRBFAYICSD-KRWDZBQOSA-N 1 1 327.432 0.675 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)CC1 ZINC001052117361 763927326 /nfs/dbraw/zinc/92/73/26/763927326.db2.gz LIIBXKZBTKZFRK-INIZCTEOSA-N 1 1 331.464 0.974 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)CC1 ZINC001052117361 763927329 /nfs/dbraw/zinc/92/73/29/763927329.db2.gz LIIBXKZBTKZFRK-INIZCTEOSA-N 1 1 331.464 0.974 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C2)CC1 ZINC001052125592 763954782 /nfs/dbraw/zinc/95/47/82/763954782.db2.gz WNJVJKLGTVLZDS-OAHLLOKOSA-N 1 1 343.431 0.199 20 30 ECEDMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001052184829 764021975 /nfs/dbraw/zinc/02/19/75/764021975.db2.gz RWCIPBKTTSKNJQ-QGZVFWFLSA-N 1 1 338.415 0.696 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001052206327 764052953 /nfs/dbraw/zinc/05/29/53/764052953.db2.gz GJNFZTWXSWTCHT-ZFWWWQNUSA-N 1 1 334.420 0.605 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001052215937 764068214 /nfs/dbraw/zinc/06/82/14/764068214.db2.gz UCFCSNOIVYNMHM-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)CN3CCCCS3(=O)=O)CCC[C@@H]12 ZINC000991858367 764082195 /nfs/dbraw/zinc/08/21/95/764082195.db2.gz GEXNMGXQFITFTC-ZBFHGGJFSA-N 1 1 339.461 0.158 20 30 ECEDMO Cc1ncsc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047354423 764092632 /nfs/dbraw/zinc/09/26/32/764092632.db2.gz WZFIHOXIGZZKSC-KBPBESRZSA-N 1 1 345.428 0.969 20 30 ECEDMO Cc1ncsc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047354423 764092641 /nfs/dbraw/zinc/09/26/41/764092641.db2.gz WZFIHOXIGZZKSC-KBPBESRZSA-N 1 1 345.428 0.969 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3nnc[nH]3)C2)nn1 ZINC001098762219 764143401 /nfs/dbraw/zinc/14/34/01/764143401.db2.gz LFKZCLVHHHWONG-ZDUSSCGKSA-N 1 1 330.396 0.078 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1=O ZINC001030594127 764153885 /nfs/dbraw/zinc/15/38/85/764153885.db2.gz GBKQRMLZLMXTFX-DLBZAZTESA-N 1 1 348.491 0.694 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001047379532 764165566 /nfs/dbraw/zinc/16/55/66/764165566.db2.gz FRXYFMJVLWJOBC-IRXDYDNUSA-N 1 1 332.448 0.911 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001047391167 764193933 /nfs/dbraw/zinc/19/39/33/764193933.db2.gz LMBRNVCZXZDHST-HOTGVXAUSA-N 1 1 342.399 0.665 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)CC2)c1 ZINC001052290684 764201822 /nfs/dbraw/zinc/20/18/22/764201822.db2.gz UUHLEEWZPBVHIN-CQSZACIVSA-N 1 1 327.392 0.762 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3nnnc23)C1 ZINC001047395746 764205181 /nfs/dbraw/zinc/20/51/81/764205181.db2.gz KQXAAFYGMLGJMB-KBPBESRZSA-N 1 1 330.392 0.208 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)[nH]1 ZINC001052319673 764243610 /nfs/dbraw/zinc/24/36/10/764243610.db2.gz INLFHDBMQMMFPS-BXUZGUMPSA-N 1 1 343.387 0.276 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001047407019 764247950 /nfs/dbraw/zinc/24/79/50/764247950.db2.gz BSEHOXVGIXHMFE-COXVUDFISA-N 1 1 328.416 0.108 20 30 ECEDMO C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001047407769 764251429 /nfs/dbraw/zinc/25/14/29/764251429.db2.gz OYDVTTKBTGBVGC-IKGGRYGDSA-N 1 1 337.464 0.319 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2COCC3)C1 ZINC001047408423 764252996 /nfs/dbraw/zinc/25/29/96/764252996.db2.gz XLAULJWWSCRHSV-ROUUACIJSA-N 1 1 328.412 0.900 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2COCC3)C1 ZINC001047408423 764253000 /nfs/dbraw/zinc/25/30/00/764253000.db2.gz XLAULJWWSCRHSV-ROUUACIJSA-N 1 1 328.412 0.900 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001047408797 764254157 /nfs/dbraw/zinc/25/41/57/764254157.db2.gz CIQSFBVSKWFYIT-SQNIBIBYSA-N 1 1 333.476 0.920 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001047408797 764254160 /nfs/dbraw/zinc/25/41/60/764254160.db2.gz CIQSFBVSKWFYIT-SQNIBIBYSA-N 1 1 333.476 0.920 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001047410367 764259191 /nfs/dbraw/zinc/25/91/91/764259191.db2.gz JBRNHKDMFIOHQQ-IKGGRYGDSA-N 1 1 343.427 0.593 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3nccnc3c2)C1 ZINC001047410929 764260854 /nfs/dbraw/zinc/26/08/54/764260854.db2.gz PSIXWJGRONVABJ-GJZGRUSLSA-N 1 1 327.388 0.718 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001047410755 764260960 /nfs/dbraw/zinc/26/09/60/764260960.db2.gz OYAZIHLPELNJGW-PMPSAXMXSA-N 1 1 329.400 0.203 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001047410755 764260966 /nfs/dbraw/zinc/26/09/66/764260966.db2.gz OYAZIHLPELNJGW-PMPSAXMXSA-N 1 1 329.400 0.203 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3nonc3C)C2)nn1 ZINC001098762827 764281025 /nfs/dbraw/zinc/28/10/25/764281025.db2.gz PGLZJLWZSGRXCR-AWEZNQCLSA-N 1 1 345.407 0.651 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CCNC(=O)CSCC#N)C1 ZINC001060394486 764282342 /nfs/dbraw/zinc/28/23/42/764282342.db2.gz FIMUFZQDXMCQLD-CQSZACIVSA-N 1 1 340.493 0.940 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)C1 ZINC001106068766 764296444 /nfs/dbraw/zinc/29/64/44/764296444.db2.gz HOOGMUTXTTVFKD-UKRRQHHQSA-N 1 1 346.435 0.359 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)C1 ZINC001106068998 764297469 /nfs/dbraw/zinc/29/74/69/764297469.db2.gz KOIWCFADMYUKHD-HOTGVXAUSA-N 1 1 345.447 0.964 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)C1 ZINC001106069772 764308063 /nfs/dbraw/zinc/30/80/63/764308063.db2.gz ZIQPTHUOACPNLC-PBHICJAKSA-N 1 1 345.447 0.964 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001047425564 764308067 /nfs/dbraw/zinc/30/80/67/764308067.db2.gz MVRKILZGMUWGOH-KBPBESRZSA-N 1 1 334.420 0.470 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)C1 ZINC001106070324 764310029 /nfs/dbraw/zinc/31/00/29/764310029.db2.gz PHZXKBSUVBUEIE-HOTGVXAUSA-N 1 1 345.447 0.964 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001098763233 764333363 /nfs/dbraw/zinc/33/33/63/764333363.db2.gz VPPKBWZGFWJOAZ-INIZCTEOSA-N 1 1 332.452 0.506 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001098763233 764333367 /nfs/dbraw/zinc/33/33/67/764333367.db2.gz VPPKBWZGFWJOAZ-INIZCTEOSA-N 1 1 332.452 0.506 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(=O)[nH]c3)C2)C1=O ZINC001015303657 764337918 /nfs/dbraw/zinc/33/79/18/764337918.db2.gz QDNOJGJNHJYYJN-CABCVRRESA-N 1 1 344.415 0.307 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3ccc(=O)[nH]c3)C2)C1=O ZINC001015303657 764337925 /nfs/dbraw/zinc/33/79/25/764337925.db2.gz QDNOJGJNHJYYJN-CABCVRRESA-N 1 1 344.415 0.307 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)nn1 ZINC001098785196 768206191 /nfs/dbraw/zinc/20/61/91/768206191.db2.gz PZIKQUYZSLXBTH-HNNXBMFYSA-N 1 1 343.435 0.910 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)nn1 ZINC001098785202 768206263 /nfs/dbraw/zinc/20/62/63/768206263.db2.gz PZIKQUYZSLXBTH-OAHLLOKOSA-N 1 1 343.435 0.910 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(c4ccc(C#N)nn4)C[C@@]3(C)C2)C1 ZINC001052366423 764341879 /nfs/dbraw/zinc/34/18/79/764341879.db2.gz XLNMOFJXEKIHAB-IYOUNJFTSA-N 1 1 340.431 0.585 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cc(C)sc3n2)C1 ZINC001047441376 764354990 /nfs/dbraw/zinc/35/49/90/764354990.db2.gz BRJDJCYROXQDPN-KBPBESRZSA-N 1 1 334.445 0.936 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(-c3ccccn3)n2)C1 ZINC001047441366 764355874 /nfs/dbraw/zinc/35/58/74/764355874.db2.gz BCMIHPXJDACMDF-HOTGVXAUSA-N 1 1 340.383 0.877 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052378277 764365303 /nfs/dbraw/zinc/36/53/03/764365303.db2.gz GLAJBVQTSCBJPJ-ZIAGYGMSSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052379566 764368540 /nfs/dbraw/zinc/36/85/40/764368540.db2.gz PACXRIUAMAXRRA-GJZGRUSLSA-N 1 1 343.431 0.757 20 30 ECEDMO COc1ccnc(C(=N)Nc2cc(N3CC[NH+](C)CC3)ncn2)n1 ZINC001168419197 764372097 /nfs/dbraw/zinc/37/20/97/764372097.db2.gz UDKYCDUJTXEJTK-UHFFFAOYSA-N 1 1 328.380 0.064 20 30 ECEDMO C=CCOCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC(=O)NC ZINC001099038152 764374082 /nfs/dbraw/zinc/37/40/82/764374082.db2.gz BKNVIZOJPLMEIA-CQSZACIVSA-N 1 1 325.453 0.932 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3ccc(C)cc3n2)C1 ZINC001047447860 764376820 /nfs/dbraw/zinc/37/68/20/764376820.db2.gz DIIYVDDGCSHMKI-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)ncc1=O ZINC001015327240 764379295 /nfs/dbraw/zinc/37/92/95/764379295.db2.gz DORGZXFMDBGNQV-MRXNPFEDSA-N 1 1 336.395 0.636 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)ncc1=O ZINC001015327240 764379301 /nfs/dbraw/zinc/37/93/01/764379301.db2.gz DORGZXFMDBGNQV-MRXNPFEDSA-N 1 1 336.395 0.636 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001052393836 764406578 /nfs/dbraw/zinc/40/65/78/764406578.db2.gz ROAHECWNAGNDJE-ZDUSSCGKSA-N 1 1 334.424 0.314 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001047464511 764420535 /nfs/dbraw/zinc/42/05/35/764420535.db2.gz AENFXXMCUXKNKN-KBPBESRZSA-N 1 1 347.415 0.649 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001047464511 764420539 /nfs/dbraw/zinc/42/05/39/764420539.db2.gz AENFXXMCUXKNKN-KBPBESRZSA-N 1 1 347.415 0.649 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nc(C)c[nH]3)[C@H]2C)C1=O ZINC001088910305 764425974 /nfs/dbraw/zinc/42/59/74/764425974.db2.gz FFVZKNYGNDQQMK-HZSPNIEDSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nc(C)c[nH]3)[C@H]2C)C1=O ZINC001088910305 764425978 /nfs/dbraw/zinc/42/59/78/764425978.db2.gz FFVZKNYGNDQQMK-HZSPNIEDSA-N 1 1 331.420 0.698 20 30 ECEDMO C=C(Br)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780101 764452534 /nfs/dbraw/zinc/45/25/34/764452534.db2.gz IOJDHEZXXXYTRF-RTXFEEFZSA-N 1 1 346.269 0.398 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001052427622 764471452 /nfs/dbraw/zinc/47/14/52/764471452.db2.gz AKGZHFZDEVFQAR-AWEZNQCLSA-N 1 1 334.420 0.094 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC001047483515 764482941 /nfs/dbraw/zinc/48/29/41/764482941.db2.gz OQQGGHYPSLSNRE-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC001047483515 764482945 /nfs/dbraw/zinc/48/29/45/764482945.db2.gz OQQGGHYPSLSNRE-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001099054265 764487403 /nfs/dbraw/zinc/48/74/03/764487403.db2.gz CCHVYCJDTDLMGX-OLZOCXBDSA-N 1 1 341.402 0.998 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001099054265 764487410 /nfs/dbraw/zinc/48/74/10/764487410.db2.gz CCHVYCJDTDLMGX-OLZOCXBDSA-N 1 1 341.402 0.998 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001047500336 764522205 /nfs/dbraw/zinc/52/22/05/764522205.db2.gz AQSIPGUZCJCLDY-JQFCIGGWSA-N 1 1 330.432 0.052 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001047500336 764522213 /nfs/dbraw/zinc/52/22/13/764522213.db2.gz AQSIPGUZCJCLDY-JQFCIGGWSA-N 1 1 330.432 0.052 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089874045 764527191 /nfs/dbraw/zinc/52/71/91/764527191.db2.gz CEXINPLZVYKCQJ-MYPMTAMASA-N 1 1 331.416 0.394 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2-c2cnn(C)c2)C1 ZINC001047502168 764531005 /nfs/dbraw/zinc/53/10/05/764531005.db2.gz XXLIBPMUFWZDJV-HOTGVXAUSA-N 1 1 342.399 0.821 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2O)C1 ZINC001047515615 764562641 /nfs/dbraw/zinc/56/26/41/764562641.db2.gz GUGHJXLNAPPOMB-HOTGVXAUSA-N 1 1 345.443 0.745 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(CC)nn3)[C@H]2C)C1=O ZINC001088947396 764584977 /nfs/dbraw/zinc/58/49/77/764584977.db2.gz YFTPOCIIGBCFFD-VNHYZAJKSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(CC)nn3)[C@H]2C)C1=O ZINC001088947396 764584984 /nfs/dbraw/zinc/58/49/84/764584984.db2.gz YFTPOCIIGBCFFD-VNHYZAJKSA-N 1 1 346.435 0.278 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001047537518 764627642 /nfs/dbraw/zinc/62/76/42/764627642.db2.gz NLDPJQZABMUNQG-KBPBESRZSA-N 1 1 334.420 0.044 20 30 ECEDMO C[C@@H](CCNc1ncccc1C#N)NC(=O)CC[NH+]1CCOCC1 ZINC001106383136 768229273 /nfs/dbraw/zinc/22/92/73/768229273.db2.gz MYHMLBAVWGDLKO-AWEZNQCLSA-N 1 1 331.420 0.982 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001099071674 764671696 /nfs/dbraw/zinc/67/16/96/764671696.db2.gz FOYGYEXLPQTSMF-LZWOXQAQSA-N 1 1 341.477 0.567 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc(OC)nc1 ZINC001089884512 764681910 /nfs/dbraw/zinc/68/19/10/764681910.db2.gz UUSXZRJSTCZSBT-XZDPQHSOSA-N 1 1 326.400 0.901 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC001047554846 764683032 /nfs/dbraw/zinc/68/30/32/764683032.db2.gz MXSKDZHJXVSEDJ-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CCC(=C)C)C[C@@H]2O)nn1 ZINC001047557925 764689495 /nfs/dbraw/zinc/68/94/95/764689495.db2.gz QKEGSXSXMPAAFO-HOTGVXAUSA-N 1 1 333.436 0.938 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047561871 764696223 /nfs/dbraw/zinc/69/62/23/764696223.db2.gz ZUUKBVKKXUAYOP-QAETUUGQSA-N 1 1 348.447 0.368 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc(OC)ccc23)C1 ZINC001047566292 764708691 /nfs/dbraw/zinc/70/86/91/764708691.db2.gz YGBOWJUWKXRYLB-IRXDYDNUSA-N 1 1 342.399 0.483 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc(OC)ccc23)C1 ZINC001047566292 764708699 /nfs/dbraw/zinc/70/86/99/764708699.db2.gz YGBOWJUWKXRYLB-IRXDYDNUSA-N 1 1 342.399 0.483 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)[C@@H]1C ZINC001088989758 764715649 /nfs/dbraw/zinc/71/56/49/764715649.db2.gz MSQDDCLRESYGAQ-HIFRSBDPSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H]1C ZINC001088989758 764715655 /nfs/dbraw/zinc/71/56/55/764715655.db2.gz MSQDDCLRESYGAQ-HIFRSBDPSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001052539870 764717617 /nfs/dbraw/zinc/71/76/17/764717617.db2.gz STUORTPOQMPSOR-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088991142 764721787 /nfs/dbraw/zinc/72/17/87/764721787.db2.gz KMHGXGRERMDXLN-SWHYSGLUSA-N 1 1 332.429 0.977 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088991142 764721792 /nfs/dbraw/zinc/72/17/92/764721792.db2.gz KMHGXGRERMDXLN-SWHYSGLUSA-N 1 1 332.429 0.977 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC ZINC001212193559 764745201 /nfs/dbraw/zinc/74/52/01/764745201.db2.gz GWYAUSCVAMXMGE-INMHGKMJSA-N 1 1 336.436 0.105 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001047576955 764749833 /nfs/dbraw/zinc/74/98/33/764749833.db2.gz WADHSUJIDXVCMH-HOTGVXAUSA-N 1 1 348.447 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(OC)ccn3)C2)C1=O ZINC001015485430 764753439 /nfs/dbraw/zinc/75/34/39/764753439.db2.gz WXRUAHHOCQMGTI-CJNGLKHVSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(OC)ccn3)C2)C1=O ZINC001015485430 764753454 /nfs/dbraw/zinc/75/34/54/764753454.db2.gz WXRUAHHOCQMGTI-CJNGLKHVSA-N 1 1 344.415 0.681 20 30 ECEDMO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047580893 764764475 /nfs/dbraw/zinc/76/44/75/764764475.db2.gz ADDHJNQYEBRVAL-HOTGVXAUSA-N 1 1 325.372 0.018 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001047586512 764785684 /nfs/dbraw/zinc/78/56/84/764785684.db2.gz XUMOOAZDIGMIIL-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3nccs3)c2)C1 ZINC001047591501 764804674 /nfs/dbraw/zinc/80/46/74/764804674.db2.gz VUZUWRNUBMSEPQ-KBPBESRZSA-N 1 1 345.428 0.469 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3nccs3)c2)C1 ZINC001047591501 764804683 /nfs/dbraw/zinc/80/46/83/764804683.db2.gz VUZUWRNUBMSEPQ-KBPBESRZSA-N 1 1 345.428 0.469 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001047593483 764813404 /nfs/dbraw/zinc/81/34/04/764813404.db2.gz JIDFZFDDCRCEEA-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2Cc3ccccc3C2=O)C1 ZINC001047601882 764846657 /nfs/dbraw/zinc/84/66/57/764846657.db2.gz PISZSIDYUCRICI-IRXDYDNUSA-N 1 1 343.427 0.722 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)NC1=O ZINC001015513575 764847025 /nfs/dbraw/zinc/84/70/25/764847025.db2.gz GYEPWSYJOOTILL-DZGCQCFKSA-N 1 1 345.378 0.411 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)NC1=O ZINC001015513575 764847033 /nfs/dbraw/zinc/84/70/33/764847033.db2.gz GYEPWSYJOOTILL-DZGCQCFKSA-N 1 1 345.378 0.411 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccn(C)n3)[C@H]2C)C1=O ZINC001089036517 764849669 /nfs/dbraw/zinc/84/96/69/764849669.db2.gz KMVKZRUGTCZSDF-IPYPFGDCSA-N 1 1 331.420 0.400 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccn(C)n3)[C@H]2C)C1=O ZINC001089036517 764849675 /nfs/dbraw/zinc/84/96/75/764849675.db2.gz KMVKZRUGTCZSDF-IPYPFGDCSA-N 1 1 331.420 0.400 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)NC)n2)C1 ZINC001047614248 764885723 /nfs/dbraw/zinc/88/57/23/764885723.db2.gz FHKGXFLPXDNPAK-GJZGRUSLSA-N 1 1 332.404 0.134 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015529969 764897532 /nfs/dbraw/zinc/89/75/32/764897532.db2.gz HJRPFLBWOSDSRF-IRXDYDNUSA-N 1 1 325.412 0.849 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015529969 764897538 /nfs/dbraw/zinc/89/75/38/764897538.db2.gz HJRPFLBWOSDSRF-IRXDYDNUSA-N 1 1 325.412 0.849 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC001047619168 764899301 /nfs/dbraw/zinc/89/93/01/764899301.db2.gz FETQWALJNBTRCK-RYUDHWBXSA-N 1 1 346.353 0.982 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)c(OCC)c2)C1 ZINC001047620733 764902691 /nfs/dbraw/zinc/90/26/91/764902691.db2.gz UZBQLARXWLSEJP-GJZGRUSLSA-N 1 1 332.400 0.844 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)c(OCC)c2)C1 ZINC001047620733 764902695 /nfs/dbraw/zinc/90/26/95/764902695.db2.gz UZBQLARXWLSEJP-GJZGRUSLSA-N 1 1 332.400 0.844 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3[nH]cnc3C)C2)nn1 ZINC001098773900 764916603 /nfs/dbraw/zinc/91/66/03/764916603.db2.gz KEYVUDGNFIQGAW-AWEZNQCLSA-N 1 1 329.408 0.601 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1=O ZINC001015548016 764931736 /nfs/dbraw/zinc/93/17/36/764931736.db2.gz LMMVBRCNXSJDEV-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1=O ZINC001015548016 764931742 /nfs/dbraw/zinc/93/17/42/764931742.db2.gz LMMVBRCNXSJDEV-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)CC1 ZINC001052659999 764951270 /nfs/dbraw/zinc/95/12/70/764951270.db2.gz SFTPDNBMYYKHLX-LSDHHAIUSA-N 1 1 329.448 0.914 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)cc1 ZINC001052670085 764968803 /nfs/dbraw/zinc/96/88/03/764968803.db2.gz ADZOZURUCVARBK-CVEARBPZSA-N 1 1 341.415 0.710 20 30 ECEDMO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)C(N)=O)CC2)cc1C#N ZINC001052671100 764970878 /nfs/dbraw/zinc/97/08/78/764970878.db2.gz AREUPHYVCQSAMF-AWEZNQCLSA-N 1 1 330.388 0.523 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccnn2C)C1 ZINC000991969784 764998031 /nfs/dbraw/zinc/99/80/31/764998031.db2.gz QXYRGAVPHLKBHB-XUJLQICISA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccnn2C)C1 ZINC000991969784 764998041 /nfs/dbraw/zinc/99/80/41/764998041.db2.gz QXYRGAVPHLKBHB-XUJLQICISA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cnnn4)cn3)CCC[C@@H]12 ZINC000991976027 765027606 /nfs/dbraw/zinc/02/76/06/765027606.db2.gz QDJXCRWXPBDEOF-NVXWUHKLSA-N 1 1 337.387 0.417 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3ncccc3F)C2)C1=O ZINC001015615936 765070000 /nfs/dbraw/zinc/07/00/00/765070000.db2.gz NYSWDENUQMTNPJ-CJNGLKHVSA-N 1 1 346.406 0.741 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3ncccc3F)C2)C1=O ZINC001015615936 765070005 /nfs/dbraw/zinc/07/00/05/765070005.db2.gz NYSWDENUQMTNPJ-CJNGLKHVSA-N 1 1 346.406 0.741 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001017662841 768264516 /nfs/dbraw/zinc/26/45/16/768264516.db2.gz NSVCHKCZNYIMJE-GASCZTMLSA-N 1 1 328.416 0.974 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000991990919 765083083 /nfs/dbraw/zinc/08/30/83/765083083.db2.gz CFTOFOYVNRIOOZ-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)CC2)nn1 ZINC001052777144 765102205 /nfs/dbraw/zinc/10/22/05/765102205.db2.gz BCEHHPYKGRJYGU-HIFRSBDPSA-N 1 1 346.435 0.327 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001060417849 765108199 /nfs/dbraw/zinc/10/81/99/765108199.db2.gz ABZMDMXOAIWXME-WZKSRPPSSA-N 1 1 340.431 0.772 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786398 765119942 /nfs/dbraw/zinc/11/99/42/765119942.db2.gz VEURTNXPOASRLG-QWHCGFSZSA-N 1 1 349.884 0.744 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cccnc3OC)C2)C1=O ZINC001015645162 765120476 /nfs/dbraw/zinc/12/04/76/765120476.db2.gz AHTALZHENXJCNE-UKRRQHHQSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cccnc3OC)C2)C1=O ZINC001015645162 765120482 /nfs/dbraw/zinc/12/04/82/765120482.db2.gz AHTALZHENXJCNE-UKRRQHHQSA-N 1 1 344.415 0.681 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)c1 ZINC001015679869 765151683 /nfs/dbraw/zinc/15/16/83/765151683.db2.gz OCYIZAOUQJKMSZ-IRXDYDNUSA-N 1 1 339.399 0.125 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)[nH]1 ZINC000992013633 765159249 /nfs/dbraw/zinc/15/92/49/765159249.db2.gz WUCCDPZZCKEWII-HOCLYGCPSA-N 1 1 341.415 0.844 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC001052819438 765177896 /nfs/dbraw/zinc/17/78/96/765177896.db2.gz FWYCTNNNUUQVJH-ZDUSSCGKSA-N 1 1 332.404 0.733 20 30 ECEDMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001015697571 765182699 /nfs/dbraw/zinc/18/26/99/765182699.db2.gz WHMWKQXRVNLCEN-IXDOHACOSA-N 1 1 341.411 0.262 20 30 ECEDMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001015697571 765182705 /nfs/dbraw/zinc/18/27/05/765182705.db2.gz WHMWKQXRVNLCEN-IXDOHACOSA-N 1 1 341.411 0.262 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC001052848975 765222791 /nfs/dbraw/zinc/22/27/91/765222791.db2.gz JIMPNYCJUYJBQT-GJZGRUSLSA-N 1 1 331.420 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3nc[nH]n3)CC2)C1=O ZINC001052854148 765234797 /nfs/dbraw/zinc/23/47/97/765234797.db2.gz YNUGXDVNAOTBCR-UONOGXRCSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3nnc[nH]3)CC2)C1=O ZINC001052854148 765234800 /nfs/dbraw/zinc/23/48/00/765234800.db2.gz YNUGXDVNAOTBCR-UONOGXRCSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3nnc[nH]3)CC2)C1=O ZINC001052854148 765234805 /nfs/dbraw/zinc/23/48/05/765234805.db2.gz YNUGXDVNAOTBCR-UONOGXRCSA-N 1 1 346.435 0.105 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)CC2)cn1 ZINC001052879529 765287771 /nfs/dbraw/zinc/28/77/71/765287771.db2.gz ZKJNNYJXPNTKBW-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(CCC)c3)C2)C1=O ZINC001015779050 765305419 /nfs/dbraw/zinc/30/54/19/765305419.db2.gz ZNQGITGUSLCWJU-HZPDHXFCSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(CCC)c3)C2)C1=O ZINC001015779050 765305423 /nfs/dbraw/zinc/30/54/23/765305423.db2.gz ZNQGITGUSLCWJU-HZPDHXFCSA-N 1 1 345.447 0.884 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001052917573 765341198 /nfs/dbraw/zinc/34/11/98/765341198.db2.gz VGVIULOXVGRHPY-HZSPNIEDSA-N 1 1 328.420 0.488 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001052918632 765345267 /nfs/dbraw/zinc/34/52/67/765345267.db2.gz BUQLIIRZCTXZNX-CQSZACIVSA-N 1 1 336.436 0.817 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001052918631 765345483 /nfs/dbraw/zinc/34/54/83/765345483.db2.gz BUQLIIRZCTXZNX-AWEZNQCLSA-N 1 1 336.436 0.817 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001015821310 765383844 /nfs/dbraw/zinc/38/38/44/765383844.db2.gz TUYXTVFZTVHMFT-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001015821310 765383853 /nfs/dbraw/zinc/38/38/53/765383853.db2.gz TUYXTVFZTVHMFT-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC000992075363 765387957 /nfs/dbraw/zinc/38/79/57/765387957.db2.gz ZAFYRRPJQCXJAB-IKGGRYGDSA-N 1 1 345.443 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC000992075363 765387963 /nfs/dbraw/zinc/38/79/63/765387963.db2.gz ZAFYRRPJQCXJAB-IKGGRYGDSA-N 1 1 345.443 0.392 20 30 ECEDMO CN(CCOCCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001127233359 765478701 /nfs/dbraw/zinc/47/87/01/765478701.db2.gz PTWGEHQJXPIOKL-AWEZNQCLSA-N 1 1 332.408 0.329 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2CCOCC2=O)C1 ZINC001053087414 765562718 /nfs/dbraw/zinc/56/27/18/765562718.db2.gz KSJLWKLSQSTOKN-IRXDYDNUSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)c2nnn(C)n2)C1 ZINC001053093019 765568540 /nfs/dbraw/zinc/56/85/40/765568540.db2.gz KAFZFRSZXSTOGI-HUUCEWRRSA-N 1 1 330.436 0.940 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000992152591 765680180 /nfs/dbraw/zinc/68/01/80/765680180.db2.gz HKGRLTFNPVCXQH-BNQIPGGESA-N 1 1 343.431 0.851 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001016034944 765735491 /nfs/dbraw/zinc/73/54/91/765735491.db2.gz RVDPHSFMZQBEGD-WBMJQRKESA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001016034944 765735499 /nfs/dbraw/zinc/73/54/99/765735499.db2.gz RVDPHSFMZQBEGD-WBMJQRKESA-N 1 1 326.400 0.534 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993172445 768319124 /nfs/dbraw/zinc/31/91/24/768319124.db2.gz RQIJPFTWPPHBAI-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993172445 768319131 /nfs/dbraw/zinc/31/91/31/768319131.db2.gz RQIJPFTWPPHBAI-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ncccc3OC)C2)C1=O ZINC001016093211 765774220 /nfs/dbraw/zinc/77/42/20/765774220.db2.gz NXSPNIGVCUUNPB-KGLIPLIRSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ncccc3OC)C2)C1=O ZINC001016093211 765774222 /nfs/dbraw/zinc/77/42/22/765774222.db2.gz NXSPNIGVCUUNPB-KGLIPLIRSA-N 1 1 344.415 0.681 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@H]12 ZINC000992178176 765777580 /nfs/dbraw/zinc/77/75/80/765777580.db2.gz ZFIFUUJFOIOJEE-DRMAHVMPSA-N 1 1 347.459 0.759 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001016109096 765792159 /nfs/dbraw/zinc/79/21/59/765792159.db2.gz ZEQXJJOJQNHCJS-DZGCQCFKSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001016109096 765792163 /nfs/dbraw/zinc/79/21/63/765792163.db2.gz ZEQXJJOJQNHCJS-DZGCQCFKSA-N 1 1 331.420 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2ccco2)C1 ZINC000992209448 765910872 /nfs/dbraw/zinc/91/08/72/765910872.db2.gz XRUGTDNATWZGNB-DQPZFDDXSA-N 1 1 343.427 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2ccco2)C1 ZINC000992209448 765910876 /nfs/dbraw/zinc/91/08/76/765910876.db2.gz XRUGTDNATWZGNB-DQPZFDDXSA-N 1 1 343.427 0.931 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCCCN2C(=O)c2cn[nH]n2)C1=O ZINC001089194924 765926343 /nfs/dbraw/zinc/92/63/43/765926343.db2.gz SZAFYSQQQQDOQO-ZFWWWQNUSA-N 1 1 346.435 0.518 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1COCCN1CC)CCO2 ZINC001053320485 765966525 /nfs/dbraw/zinc/96/65/25/765966525.db2.gz HRMOCZKJRGJTCV-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001017748824 768344980 /nfs/dbraw/zinc/34/49/80/768344980.db2.gz VDBRYDJXQZTRPW-XFHVWQCUSA-N 1 1 329.444 0.548 20 30 ECEDMO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001106467506 768345354 /nfs/dbraw/zinc/34/53/54/768345354.db2.gz VFEQYZQTDNVHDO-STQMWFEESA-N 1 1 339.403 0.851 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@]1(C)CCC(=O)NC1)CCO2 ZINC001053390473 766068548 /nfs/dbraw/zinc/06/85/48/766068548.db2.gz XJOIVUJZPYPMPX-QGZVFWFLSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@]1(C)CCC(=O)NC1)CCO2 ZINC001053390467 766068766 /nfs/dbraw/zinc/06/87/66/766068766.db2.gz XJOIVUJZPYPMPX-KRWDZBQOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CCO2 ZINC001053392416 766071654 /nfs/dbraw/zinc/07/16/54/766071654.db2.gz AQFKKSLHWWQICY-HNNXBMFYSA-N 1 1 328.416 0.300 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCS(=O)(=O)C3)CCC[C@H]12 ZINC000992258810 766080198 /nfs/dbraw/zinc/08/01/98/766080198.db2.gz BNBQYRXUYZHEJN-YQQAZPJKSA-N 1 1 338.473 0.948 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)C(=O)N(C)C3=O)CCC[C@H]12 ZINC000992259572 766085388 /nfs/dbraw/zinc/08/53/88/766085388.db2.gz CLUCDKSKPURZRN-SJCJKPOMSA-N 1 1 348.403 0.096 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CN3C(=O)C(=O)N(C)C3=O)CCC[C@H]12 ZINC000992259574 766085992 /nfs/dbraw/zinc/08/59/92/766085992.db2.gz CLUCDKSKPURZRN-YVEFUNNKSA-N 1 1 348.403 0.096 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CCO2 ZINC001053467950 766184097 /nfs/dbraw/zinc/18/40/97/766184097.db2.gz RTDFSRZVFNAZIM-IRXDYDNUSA-N 1 1 331.460 0.940 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccnc2-n2cccn2)[C@@H](O)C1 ZINC001083688860 766265128 /nfs/dbraw/zinc/26/51/28/766265128.db2.gz OCIJHKBBNSNNEF-CABCVRRESA-N 1 1 325.372 0.066 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001106126585 766274725 /nfs/dbraw/zinc/27/47/25/766274725.db2.gz NVUOGEMOPJORRM-AWEZNQCLSA-N 1 1 342.403 0.284 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccc(=O)n(C)n1)CCO2 ZINC001053525513 766279720 /nfs/dbraw/zinc/27/97/20/766279720.db2.gz HEYGKNHKWFNPTO-UHFFFAOYSA-N 1 1 332.404 0.273 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C(=O)Nc1cc(C)on1)CCO2 ZINC001053530760 766287133 /nfs/dbraw/zinc/28/71/33/766287133.db2.gz DRBUBUGPNLHVLS-UHFFFAOYSA-N 1 1 348.403 0.801 20 30 ECEDMO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)N1CCOCC1 ZINC001016435849 766296071 /nfs/dbraw/zinc/29/60/71/766296071.db2.gz HSDQVGHMWJEINV-HKUYNNGSSA-N 1 1 341.455 0.949 20 30 ECEDMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)N1CCOCC1 ZINC001016435849 766296074 /nfs/dbraw/zinc/29/60/74/766296074.db2.gz HSDQVGHMWJEINV-HKUYNNGSSA-N 1 1 341.455 0.949 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@H]12 ZINC000992350010 766346465 /nfs/dbraw/zinc/34/64/65/766346465.db2.gz XZXCVJIRJCDXEK-DNGFJYGXSA-N 1 1 344.415 0.111 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992351156 766351681 /nfs/dbraw/zinc/35/16/81/766351681.db2.gz MBPHTFFUZDFKNO-RDTXWAMCSA-N 1 1 344.415 0.875 20 30 ECEDMO CO[C@H](C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)O2 ZINC001053593402 766390410 /nfs/dbraw/zinc/39/04/10/766390410.db2.gz JMHXHIRTLCFASY-DOMZBBRYSA-N 1 1 332.404 0.884 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)cc1 ZINC001077555273 766398893 /nfs/dbraw/zinc/39/88/93/766398893.db2.gz GDMDTOMYNPEGLV-HZPDHXFCSA-N 1 1 326.356 0.450 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)cc1 ZINC001077555273 766398903 /nfs/dbraw/zinc/39/89/03/766398903.db2.gz GDMDTOMYNPEGLV-HZPDHXFCSA-N 1 1 326.356 0.450 20 30 ECEDMO NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001045837903 766421188 /nfs/dbraw/zinc/42/11/88/766421188.db2.gz ARMHWFQAVKHRTJ-CVEARBPZSA-N 1 1 329.375 0.728 20 30 ECEDMO NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001045837903 766421193 /nfs/dbraw/zinc/42/11/93/766421193.db2.gz ARMHWFQAVKHRTJ-CVEARBPZSA-N 1 1 329.375 0.728 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnc3ccnn31)O2 ZINC001053609064 766425540 /nfs/dbraw/zinc/42/55/40/766425540.db2.gz SVHHYLKTAAEXII-CQSZACIVSA-N 1 1 339.399 0.716 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)O2 ZINC001053619221 766448299 /nfs/dbraw/zinc/44/82/99/766448299.db2.gz NMKMUYYGLBJWJM-LSDHHAIUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCC(C(N)=O)CC1)O2 ZINC001053620421 766454030 /nfs/dbraw/zinc/45/40/30/766454030.db2.gz LYAXWWCMEGUPQC-UYSNPLJNSA-N 1 1 347.459 0.651 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)nc1 ZINC001045880482 766462781 /nfs/dbraw/zinc/46/27/81/766462781.db2.gz YWPHZEKVZZRHNK-HLLBOEOZSA-N 1 1 338.411 0.630 20 30 ECEDMO C#Cc1cncc(C(=O)NC2C[NH+](C[C@H]3CCNC(=O)CC3)C2)c1 ZINC001030928567 766498343 /nfs/dbraw/zinc/49/83/43/766498343.db2.gz YWLKFITZNBBNFZ-CQSZACIVSA-N 1 1 326.400 0.393 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)[nH]1 ZINC001045929050 766499855 /nfs/dbraw/zinc/49/98/55/766499855.db2.gz BIRBHEUSSASASG-QGZVFWFLSA-N 1 1 329.404 0.690 20 30 ECEDMO CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253841 766507015 /nfs/dbraw/zinc/50/70/15/766507015.db2.gz JSYSYTITKLXTIP-RBSFLKMASA-N 1 1 335.448 0.472 20 30 ECEDMO CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253841 766507020 /nfs/dbraw/zinc/50/70/20/766507020.db2.gz JSYSYTITKLXTIP-RBSFLKMASA-N 1 1 335.448 0.472 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@@H](O)C1 ZINC001083694794 766513326 /nfs/dbraw/zinc/51/33/26/766513326.db2.gz RQNVEAVTSQWPOF-KGLIPLIRSA-N 1 1 334.424 0.070 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@@H](O)C1 ZINC001083694794 766513330 /nfs/dbraw/zinc/51/33/30/766513330.db2.gz RQNVEAVTSQWPOF-KGLIPLIRSA-N 1 1 334.424 0.070 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNc1nccnc1C#N ZINC001053653765 766517714 /nfs/dbraw/zinc/51/77/14/766517714.db2.gz XXCXAAATKMJANL-UMVBOHGHSA-N 1 1 328.420 0.949 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNc1ccnc(C#N)n1 ZINC001053652959 766517801 /nfs/dbraw/zinc/51/78/01/766517801.db2.gz CRENYKZLQFDLDR-MGPQQGTHSA-N 1 1 328.420 0.371 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001045949012 766520172 /nfs/dbraw/zinc/52/01/72/766520172.db2.gz WPUGBFSHASHZPS-QGZVFWFLSA-N 1 1 333.436 0.472 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C(=O)NC)nc3)CCC[C@@H]12 ZINC000992414454 766525548 /nfs/dbraw/zinc/52/55/48/766525548.db2.gz XFSCFQYMJQFCBH-CRAIPNDOSA-N 1 1 326.400 0.801 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)nc1 ZINC001045979376 766550530 /nfs/dbraw/zinc/55/05/30/766550530.db2.gz SFWDDRLBARVCHJ-LJQANCHMSA-N 1 1 340.427 0.866 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)onc2CC)C[C@H]1OC ZINC001212255409 766553968 /nfs/dbraw/zinc/55/39/68/766553968.db2.gz KVZQIGLOVNHFJN-KBRIMQKVSA-N 1 1 349.431 0.899 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(C)onc2CC)C[C@H]1OC ZINC001212255409 766553974 /nfs/dbraw/zinc/55/39/74/766553974.db2.gz KVZQIGLOVNHFJN-KBRIMQKVSA-N 1 1 349.431 0.899 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001045983332 766555237 /nfs/dbraw/zinc/55/52/37/766555237.db2.gz MNVIKYVUZZSMEM-KDOFPFPSSA-N 1 1 346.431 0.312 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001045988094 766560565 /nfs/dbraw/zinc/56/05/65/766560565.db2.gz IMJLQFGPZCFPIM-DNVCBOLYSA-N 1 1 345.443 0.767 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCCN(C)C1=O)O2 ZINC001053686223 766587602 /nfs/dbraw/zinc/58/76/02/766587602.db2.gz KBHSXWDQHFEZGI-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@]13CC[N@@H+](C1)CCC3)O2 ZINC001053690298 766596541 /nfs/dbraw/zinc/59/65/41/766596541.db2.gz KNSPIBMYNHDCQR-AEFFLSMTSA-N 1 1 331.460 0.845 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc(C)cn3)CC2)C1 ZINC001045999905 766598162 /nfs/dbraw/zinc/59/81/62/766598162.db2.gz UFCORPSYBJEOGL-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C3=COCCO3)CC2)C1 ZINC001046000701 766600894 /nfs/dbraw/zinc/60/08/94/766600894.db2.gz WJDFKIHHADWJTD-CQSZACIVSA-N 1 1 341.839 0.846 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)C3=COCCO3)CC2)C1 ZINC001046000701 766600904 /nfs/dbraw/zinc/60/09/04/766600904.db2.gz WJDFKIHHADWJTD-CQSZACIVSA-N 1 1 341.839 0.846 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1OC ZINC001212258122 766601270 /nfs/dbraw/zinc/60/12/70/766601270.db2.gz NLAXZHHYOGRNNU-DJIMGWMZSA-N 1 1 348.447 0.299 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)O2 ZINC001053700273 766618439 /nfs/dbraw/zinc/61/84/39/766618439.db2.gz PVUURBXMPRFBCP-JKSUJKDBSA-N 1 1 335.448 0.080 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700273 766618443 /nfs/dbraw/zinc/61/84/43/766618443.db2.gz PVUURBXMPRFBCP-JKSUJKDBSA-N 1 1 335.448 0.080 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212260895 766629450 /nfs/dbraw/zinc/62/94/50/766629450.db2.gz NTQQOBCGLVBBSF-QZTJIDSGSA-N 1 1 341.411 0.914 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212260895 766629454 /nfs/dbraw/zinc/62/94/54/766629454.db2.gz NTQQOBCGLVBBSF-QZTJIDSGSA-N 1 1 341.411 0.914 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cc(C)on3)CC2)C1 ZINC001046014175 766645011 /nfs/dbraw/zinc/64/50/11/766645011.db2.gz QWSVAIHUIXWIHU-KRWDZBQOSA-N 1 1 330.432 0.767 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3nnc[nH]3)CC2)C1 ZINC001046017814 766654969 /nfs/dbraw/zinc/65/49/69/766654969.db2.gz QYDUCOCDMOYNHL-OAHLLOKOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001046017814 766654979 /nfs/dbraw/zinc/65/49/79/766654979.db2.gz QYDUCOCDMOYNHL-OAHLLOKOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001046017814 766654990 /nfs/dbraw/zinc/65/49/90/766654990.db2.gz QYDUCOCDMOYNHL-OAHLLOKOSA-N 1 1 332.452 0.532 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@](C)(O)C3CC3)CC2)C1 ZINC001046021136 766664789 /nfs/dbraw/zinc/66/47/89/766664789.db2.gz BCNRDEPBGHDNLZ-MJGOQNOKSA-N 1 1 333.476 0.779 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 ZINC001046021312 766666374 /nfs/dbraw/zinc/66/63/74/766666374.db2.gz BYJAEHUEAOTLNQ-HOTGVXAUSA-N 1 1 335.448 0.734 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046022098 766668764 /nfs/dbraw/zinc/66/87/64/766668764.db2.gz OMPNPOVECVTRDM-UKRRQHHQSA-N 1 1 331.420 0.099 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2oc(CC)nc2C)C[C@H]1OC ZINC001212262197 766675496 /nfs/dbraw/zinc/67/54/96/766675496.db2.gz GKPXOSYMSKBCKO-GDBMZVCRSA-N 1 1 349.431 0.901 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2oc(CC)nc2C)C[C@H]1OC ZINC001212262197 766675500 /nfs/dbraw/zinc/67/55/00/766675500.db2.gz GKPXOSYMSKBCKO-GDBMZVCRSA-N 1 1 349.431 0.901 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046026540 766683219 /nfs/dbraw/zinc/68/32/19/766683219.db2.gz ZIERABIAERYMDX-CYBMUJFWSA-N 1 1 338.843 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046026540 766683225 /nfs/dbraw/zinc/68/32/25/766683225.db2.gz ZIERABIAERYMDX-CYBMUJFWSA-N 1 1 338.843 0.400 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3ncc[nH]3)CC2)C1 ZINC001046027873 766688224 /nfs/dbraw/zinc/68/82/24/766688224.db2.gz PURFCSCUUDFLBE-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@@H]12 ZINC000992485541 766692567 /nfs/dbraw/zinc/69/25/67/766692567.db2.gz GDLLKKYQJCZBHR-ACJLOTCBSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccnc2C)C1 ZINC000994749986 766694009 /nfs/dbraw/zinc/69/40/09/766694009.db2.gz FTUIQUXHEIBHGT-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccnc2C)C1 ZINC000994749986 766694015 /nfs/dbraw/zinc/69/40/15/766694015.db2.gz FTUIQUXHEIBHGT-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC001046030287 766696931 /nfs/dbraw/zinc/69/69/31/766696931.db2.gz NTUARKJHKKKSOX-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC001046030351 766697300 /nfs/dbraw/zinc/69/73/00/766697300.db2.gz PBWZDVKNHSOKDF-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccnn2C)C1 ZINC001016669742 766697878 /nfs/dbraw/zinc/69/78/78/766697878.db2.gz AIAJKBPNMMDKNL-XUJLQICISA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccnn2C)C1 ZINC001016669742 766697883 /nfs/dbraw/zinc/69/78/83/766697883.db2.gz AIAJKBPNMMDKNL-XUJLQICISA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@@H]2CCCO2)C1 ZINC001016670904 766700056 /nfs/dbraw/zinc/70/00/56/766700056.db2.gz WBSGSMXUXDLCNA-CKUJCDMFSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@@H]2CCCO2)C1 ZINC001016670904 766700059 /nfs/dbraw/zinc/70/00/59/766700059.db2.gz WBSGSMXUXDLCNA-CKUJCDMFSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2cccc2)C1 ZINC000994752725 766702914 /nfs/dbraw/zinc/70/29/14/766702914.db2.gz UTAHUJZPKKDRQV-WBVHZDCISA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2cccc2)C1 ZINC000994752725 766702923 /nfs/dbraw/zinc/70/29/23/766702923.db2.gz UTAHUJZPKKDRQV-WBVHZDCISA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000994754923 766707882 /nfs/dbraw/zinc/70/78/82/766707882.db2.gz OHWSBMVLVNBNKM-KBMXLJTQSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000994754923 766707887 /nfs/dbraw/zinc/70/78/87/766707887.db2.gz OHWSBMVLVNBNKM-KBMXLJTQSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033435 766708489 /nfs/dbraw/zinc/70/84/89/766708489.db2.gz FSMWKBQRQIHURH-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033204 766708875 /nfs/dbraw/zinc/70/88/75/766708875.db2.gz AXABPXNAMDQBJM-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccnn3C)CC2)C1 ZINC001046033622 766710333 /nfs/dbraw/zinc/71/03/33/766710333.db2.gz JLRRYLCGLKEOSE-GOSISDBHSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(OCC)nc3)CC2)C1 ZINC001046033946 766712015 /nfs/dbraw/zinc/71/20/15/766712015.db2.gz MJHABJBFURYVHS-QGZVFWFLSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cccn4nnnc34)CC2)C1 ZINC001046034088 766712636 /nfs/dbraw/zinc/71/26/36/766712636.db2.gz OUSTWAMSDYYTST-CQSZACIVSA-N 1 1 341.419 0.142 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nn(C)cc3Cl)CC2)C1 ZINC001046034271 766712961 /nfs/dbraw/zinc/71/29/61/766712961.db2.gz QYEMWDCAQYRRNJ-CYBMUJFWSA-N 1 1 335.839 0.539 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C4CC4)nn3C)CC2)C1 ZINC001046034703 766716859 /nfs/dbraw/zinc/71/68/59/766716859.db2.gz XUMSLPWDAPKSKT-MRXNPFEDSA-N 1 1 341.459 0.763 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4c3CCC4)CC2)C1 ZINC001046035097 766717933 /nfs/dbraw/zinc/71/79/33/766717933.db2.gz DKICERAJNNPJHS-OAHLLOKOSA-N 1 1 327.432 0.295 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnc(C)o3)CC2)C1 ZINC001046035351 766719370 /nfs/dbraw/zinc/71/93/70/766719370.db2.gz JVJGPNRFCNUZMQ-MRXNPFEDSA-N 1 1 330.432 0.767 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(C)nc3OC)CC2)C1 ZINC001046035555 766720808 /nfs/dbraw/zinc/72/08/08/766720808.db2.gz OXIDHJDUTFABOL-OAHLLOKOSA-N 1 1 345.447 0.812 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC=C)C2)CC1 ZINC001046036114 766724055 /nfs/dbraw/zinc/72/40/55/766724055.db2.gz AOSDBSFPKKXXNG-MSOLQXFVSA-N 1 1 330.476 0.489 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 ZINC001046036894 766729478 /nfs/dbraw/zinc/72/94/78/766729478.db2.gz IUTDYRVVVMYCGA-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046036916 766729909 /nfs/dbraw/zinc/72/99/09/766729909.db2.gz PFJKFOJFWITLRO-DLBZAZTESA-N 1 1 333.480 0.603 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001046037180 766732949 /nfs/dbraw/zinc/73/29/49/766732949.db2.gz UZAPLQFCTFMLFC-BBWFWOEESA-N 1 1 337.464 0.585 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 ZINC001046037526 766733667 /nfs/dbraw/zinc/73/36/67/766733667.db2.gz ROBHIVVZYDQCHQ-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nncn4C3)CCC[C@@H]12 ZINC000992505687 766739788 /nfs/dbraw/zinc/73/97/88/766739788.db2.gz HUJPNLUFZOLKKT-IIDMSEBBSA-N 1 1 327.432 0.977 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046039135 766742799 /nfs/dbraw/zinc/74/27/99/766742799.db2.gz SNBWJQYRFVPTLE-YJBOKZPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC001046040410 766746138 /nfs/dbraw/zinc/74/61/38/766746138.db2.gz HPHAALROWVYYDT-INIZCTEOSA-N 1 1 333.411 0.318 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc4ccccn34)CC2)C1 ZINC001046040935 766749156 /nfs/dbraw/zinc/74/91/56/766749156.db2.gz MFCBUBKJZNDNBS-INIZCTEOSA-N 1 1 337.427 0.800 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3COCCN3CC)CC2)C1 ZINC001046041916 766754106 /nfs/dbraw/zinc/75/41/06/766754106.db2.gz UWHKJSHPLCLEQP-IRXDYDNUSA-N 1 1 336.480 0.112 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3coc(OCC)n3)CC2)C1 ZINC001046041700 766754144 /nfs/dbraw/zinc/75/41/44/766754144.db2.gz MVDPIMKIOUCWOX-CQSZACIVSA-N 1 1 332.404 0.539 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ncnc4[nH]ccc43)CC2)C1 ZINC001046042545 766756455 /nfs/dbraw/zinc/75/64/55/766756455.db2.gz XJRYJSFMUHSPBU-CQSZACIVSA-N 1 1 340.431 0.928 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn4cccnc4n3)CC2)C1 ZINC001046042849 766757478 /nfs/dbraw/zinc/75/74/78/766757478.db2.gz OCAMVSPMZADLRF-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046042762 766758164 /nfs/dbraw/zinc/75/81/64/766758164.db2.gz MNSMLGYPAPAHIZ-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC001046043322 766760516 /nfs/dbraw/zinc/76/05/16/766760516.db2.gz BYBROUQETGKISA-SCTDSRPQSA-N 1 1 331.460 0.797 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc(OC)n3)CC2)C1 ZINC001046043569 766761806 /nfs/dbraw/zinc/76/18/06/766761806.db2.gz AQISMBJVHLULGB-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(C(N)=O)cn3)CCC[C@H]12 ZINC000992520356 766764425 /nfs/dbraw/zinc/76/44/25/766764425.db2.gz GYEZCGAZSMEMBI-MAUKXSAKSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC001046044069 766764312 /nfs/dbraw/zinc/76/43/12/766764312.db2.gz OGVUGAKDNGZHMN-INIZCTEOSA-N 1 1 328.416 0.181 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(Cl)n(C)n3)CC2)C1 ZINC001046044713 766767225 /nfs/dbraw/zinc/76/72/25/766767225.db2.gz PSLRZWSAEOFKNK-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H](C)c3cnn(C)c3)CC2)C1 ZINC001046046093 766772963 /nfs/dbraw/zinc/77/29/63/766772963.db2.gz VXGWRKQEXDPEKB-WMZOPIPTSA-N 1 1 343.475 0.765 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC001046047378 766777343 /nfs/dbraw/zinc/77/73/43/766777343.db2.gz NYZYOJKMTHTPSP-QAPCUYQASA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC001046048454 766780286 /nfs/dbraw/zinc/78/02/86/766780286.db2.gz WBGRGLHVIGFEDA-QGZVFWFLSA-N 1 1 344.463 0.082 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC001046051037 766788578 /nfs/dbraw/zinc/78/85/78/766788578.db2.gz VDPILSSMJJAMDO-HNNXBMFYSA-N 1 1 347.463 0.837 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046051766 766791699 /nfs/dbraw/zinc/79/16/99/766791699.db2.gz NUJOBHTXCSIGAM-CABCVRRESA-N 1 1 334.464 0.306 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cn(CC(=O)N(C)C)nn3)CCC[C@H]12 ZINC000992531241 766793956 /nfs/dbraw/zinc/79/39/56/766793956.db2.gz UUEVZVTYRVYOMK-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)c3cncnc3)CC2)C1 ZINC001046054265 766798920 /nfs/dbraw/zinc/79/89/20/766798920.db2.gz KFTHURFUUBNVQU-AEFFLSMTSA-N 1 1 341.459 0.822 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(C)n3C)CC2)C1 ZINC001046054398 766801270 /nfs/dbraw/zinc/80/12/70/766801270.db2.gz MKAMHNRUOOALGP-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046055877 766807182 /nfs/dbraw/zinc/80/71/82/766807182.db2.gz JWGLSTBOSHFEFO-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@H]3CC[N@H+]([C@H](C)C(=O)NC)C3)CC2)C1 ZINC001046059444 766823384 /nfs/dbraw/zinc/82/33/84/766823384.db2.gz HGLHIUOXSRKLIP-CVEARBPZSA-N 1 1 348.491 0.696 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCN([C@@H]2CC[N@@H+](CC(=O)NC)C2)CC1 ZINC001046061400 766829008 /nfs/dbraw/zinc/82/90/08/766829008.db2.gz LGPVTSSPOGMMGS-QAPCUYQASA-N 1 1 336.480 0.553 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001046062059 766830923 /nfs/dbraw/zinc/83/09/23/766830923.db2.gz AQXASIDPTTYFLT-IXDOHACOSA-N 1 1 348.491 0.683 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN([C@H]3CC[N@H+](C[C@H](C)O)C3)CC2)c1 ZINC001046062272 766833488 /nfs/dbraw/zinc/83/34/88/766833488.db2.gz TUHNWXKBCUQROU-YJBOKZPZSA-N 1 1 342.443 0.276 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN([C@@H]3CC[N@H+](C[C@H](C)O)C3)CC2)c1 ZINC001046062270 766834082 /nfs/dbraw/zinc/83/40/82/766834082.db2.gz TUHNWXKBCUQROU-MAUKXSAKSA-N 1 1 342.443 0.276 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ccc(C)n3)CC2)C1 ZINC001046062288 766834340 /nfs/dbraw/zinc/83/43/40/766834340.db2.gz DCLSZNHHNUCYRS-KRWDZBQOSA-N 1 1 331.464 0.986 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@H]3CC[N@H+](CC(=C)C)C3)CC2)nn1 ZINC001046068683 766864924 /nfs/dbraw/zinc/86/49/24/766864924.db2.gz QNJUHFCXNBSJLQ-INIZCTEOSA-N 1 1 344.463 0.872 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nnn(C(C)(C)C)n1)CO2 ZINC001053807164 766899007 /nfs/dbraw/zinc/89/90/07/766899007.db2.gz CKWFDNATMWDLTF-LBPRGKRZSA-N 1 1 334.424 0.577 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn4c3CCCC4)CC2)C1 ZINC001046076584 766903607 /nfs/dbraw/zinc/90/36/07/766903607.db2.gz GYHIITKVCJEJHK-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CC)cn3)CC2)C1 ZINC001046077469 766908086 /nfs/dbraw/zinc/90/80/86/766908086.db2.gz WWHSTANUCZKFBI-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccn3nnnc13)CO2 ZINC001053813995 766910445 /nfs/dbraw/zinc/91/04/45/766910445.db2.gz FMRCUIHINVRZTE-LBPRGKRZSA-N 1 1 328.376 0.274 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC001046079233 766913259 /nfs/dbraw/zinc/91/32/59/766913259.db2.gz RNGDAIKPORXEBC-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn4ccccc4n3)CC2)C1 ZINC001046080787 766917741 /nfs/dbraw/zinc/91/77/41/766917741.db2.gz KVGYKHUNSAEQMT-INIZCTEOSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c(C)noc3C)CC2)C1 ZINC001046081730 766920356 /nfs/dbraw/zinc/92/03/56/766920356.db2.gz KIUSXWDDDABIBG-MRXNPFEDSA-N 1 1 330.432 0.686 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nn(C)c3F)CC2)C1 ZINC001046082667 766921754 /nfs/dbraw/zinc/92/17/54/766921754.db2.gz ZJAOYOZBWXRRKV-HNNXBMFYSA-N 1 1 347.438 0.723 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083254 766922767 /nfs/dbraw/zinc/92/27/67/766922767.db2.gz OHLAXNOINZALBJ-INIZCTEOSA-N 1 1 332.452 0.463 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ccnc3C)CC2)C1 ZINC001046084265 766924368 /nfs/dbraw/zinc/92/43/68/766924368.db2.gz OOKNRQWLDVVQFK-KRWDZBQOSA-N 1 1 331.464 0.986 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc(C)n3)CC2)C1 ZINC001046084082 766924445 /nfs/dbraw/zinc/92/44/45/766924445.db2.gz JCPGBFBJLKOJKA-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)n(C)n3)CC2)C1 ZINC001046085726 766926953 /nfs/dbraw/zinc/92/69/53/766926953.db2.gz CTEOQXQJWLIMPK-MRXNPFEDSA-N 1 1 329.448 0.448 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1C[NH+]([C@H]2CCN(CC)C2=O)C1 ZINC001031733528 766928109 /nfs/dbraw/zinc/92/81/09/766928109.db2.gz DPOHLILQNBOEDY-INIZCTEOSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)c3cnn(C)c3)CC2)C1 ZINC001046086665 766929813 /nfs/dbraw/zinc/92/98/13/766929813.db2.gz JMEQKPQCSUCQBW-WBVHZDCISA-N 1 1 331.464 0.928 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C3CCOCC3)CC2)C1 ZINC001046089612 766931592 /nfs/dbraw/zinc/93/15/92/766931592.db2.gz HRTKUCYTWZLISP-AEFFLSMTSA-N 1 1 333.476 0.901 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(N)=O)ccn3)CC2)C1 ZINC001046090424 766932401 /nfs/dbraw/zinc/93/24/01/766932401.db2.gz VYEYFGUGGWYOQY-HNNXBMFYSA-N 1 1 343.431 0.199 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C(N)=O)cn1C ZINC001089665758 766958231 /nfs/dbraw/zinc/95/82/31/766958231.db2.gz DQZCRLHHWCQQFK-CQSZACIVSA-N 1 1 330.432 0.978 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C)no3)C2)C1=O ZINC001046132226 766965073 /nfs/dbraw/zinc/96/50/73/766965073.db2.gz CIQVGXZRZLJRLZ-SUMWQHHRSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C)no3)C2)C1=O ZINC001046132226 766965075 /nfs/dbraw/zinc/96/50/75/766965075.db2.gz CIQVGXZRZLJRLZ-SUMWQHHRSA-N 1 1 332.404 0.964 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(CC(=C)Cl)C2)C1 ZINC001053832670 766970813 /nfs/dbraw/zinc/97/08/13/766970813.db2.gz NEDBFIYBPXHADW-CABCVRRESA-N 1 1 337.851 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(CC(=C)Cl)C2)C1 ZINC001053832670 766970817 /nfs/dbraw/zinc/97/08/17/766970817.db2.gz NEDBFIYBPXHADW-CABCVRRESA-N 1 1 337.851 0.796 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3n1CCOC3)CO2 ZINC001053835118 766975500 /nfs/dbraw/zinc/97/55/00/766975500.db2.gz CZDXZQMLEZWGHC-CQSZACIVSA-N 1 1 346.431 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2noc(CC)n2)C1 ZINC001031741189 766988514 /nfs/dbraw/zinc/98/85/14/766988514.db2.gz RDEAKLYHXGPKIZ-AWEZNQCLSA-N 1 1 331.420 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2noc(CC)n2)C1 ZINC001031741189 766988518 /nfs/dbraw/zinc/98/85/18/766988518.db2.gz RDEAKLYHXGPKIZ-AWEZNQCLSA-N 1 1 331.420 0.278 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCN(C)C1=O)CO2 ZINC001053841231 766988640 /nfs/dbraw/zinc/98/86/40/766988640.db2.gz DAFAAKMBQXMPDQ-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(OC)no2)C1 ZINC001031741303 766989755 /nfs/dbraw/zinc/98/97/55/766989755.db2.gz VUGPUKBEHLULAL-HNNXBMFYSA-N 1 1 332.404 0.329 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(OC)no2)C1 ZINC001031741303 766989758 /nfs/dbraw/zinc/98/97/58/766989758.db2.gz VUGPUKBEHLULAL-HNNXBMFYSA-N 1 1 332.404 0.329 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)CCNC(=O)C1)CO2 ZINC001053843309 766996505 /nfs/dbraw/zinc/99/65/05/766996505.db2.gz JOLPKJPZKNOYST-RHSMWYFYSA-N 1 1 335.448 0.828 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C(N)=O)c1)CO2 ZINC001053849945 767015829 /nfs/dbraw/zinc/01/58/29/767015829.db2.gz YOKMXBAUEOAGRJ-OAHLLOKOSA-N 1 1 329.400 0.935 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001046177744 767025426 /nfs/dbraw/zinc/02/54/26/767025426.db2.gz MLFDUVVCVXVTLI-KBXCAEBGSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001046177744 767025437 /nfs/dbraw/zinc/02/54/37/767025437.db2.gz MLFDUVVCVXVTLI-KBXCAEBGSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)CO2 ZINC001053865261 767069967 /nfs/dbraw/zinc/06/99/67/767069967.db2.gz UZQLILDCGRKFTA-KGLIPLIRSA-N 1 1 336.436 0.313 20 30 ECEDMO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001046221735 767089370 /nfs/dbraw/zinc/08/93/70/767089370.db2.gz VDWFWIHTFOXXJB-QGZVFWFLSA-N 1 1 343.387 0.230 20 30 ECEDMO C=CCN1CC2(C1)C[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)CO2 ZINC001053872981 767096525 /nfs/dbraw/zinc/09/65/25/767096525.db2.gz NEFRJPBZNZQMOL-CQSZACIVSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001089700454 767101045 /nfs/dbraw/zinc/10/10/45/767101045.db2.gz CHGKTGLYZFTCSY-GJZGRUSLSA-N 1 1 344.463 0.866 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)c(=O)cn1)CO2 ZINC001053875229 767108018 /nfs/dbraw/zinc/10/80/18/767108018.db2.gz VXDMXMYOEXMTQS-ZDUSSCGKSA-N 1 1 332.404 0.320 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001089708713 767109502 /nfs/dbraw/zinc/10/95/02/767109502.db2.gz LFXITTYEPDLILJ-XYEKJYRLSA-N 1 1 348.447 0.767 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nccn3CC)C2)C1=O ZINC001046276753 767122187 /nfs/dbraw/zinc/12/21/87/767122187.db2.gz SHZIHZWYPBXQRO-RDTXWAMCSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3nccn3CC)C2)C1=O ZINC001046276753 767122189 /nfs/dbraw/zinc/12/21/89/767122189.db2.gz SHZIHZWYPBXQRO-RDTXWAMCSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001046298684 767134437 /nfs/dbraw/zinc/13/44/37/767134437.db2.gz QKWSSCJGYVXBSU-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001046298684 767134438 /nfs/dbraw/zinc/13/44/38/767134438.db2.gz QKWSSCJGYVXBSU-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046318556 767145453 /nfs/dbraw/zinc/14/54/53/767145453.db2.gz CPZZGUSDCWEYBP-RVKKMQEKSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046318556 767145454 /nfs/dbraw/zinc/14/54/54/767145454.db2.gz CPZZGUSDCWEYBP-RVKKMQEKSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cncn1 ZINC001089763932 767147672 /nfs/dbraw/zinc/14/76/72/767147672.db2.gz LPFITWOHXGAEIA-YVSFHVDLSA-N 1 1 327.432 0.860 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cnnn2)C1 ZINC001089768840 767149782 /nfs/dbraw/zinc/14/97/82/767149782.db2.gz DCQWWDMRDPIUNT-VGWMRTNUSA-N 1 1 330.436 0.808 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC001089782141 767168316 /nfs/dbraw/zinc/16/83/16/767168316.db2.gz VPPVNARDPUZIPE-YJNKXOJESA-N 1 1 326.462 0.776 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2nnn(C)c2C)C1 ZINC001089788210 767180654 /nfs/dbraw/zinc/18/06/54/767180654.db2.gz JLASQLIXRDNRNJ-VGWMRTNUSA-N 1 1 327.432 0.929 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001042019459 782610565 /nfs/dbraw/zinc/61/05/65/782610565.db2.gz RAQOWTWQNQOHFK-WBMJQRKESA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001042019459 782610566 /nfs/dbraw/zinc/61/05/66/782610566.db2.gz RAQOWTWQNQOHFK-WBMJQRKESA-N 1 1 339.403 0.751 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2CC[C@H]1[C@H]1C[N@@H+](CC(=O)N3CCC3)C[C@H]12 ZINC001089805217 767233094 /nfs/dbraw/zinc/23/30/94/767233094.db2.gz DCFRCTQIVZIXRQ-XSLAGTTESA-N 1 1 341.455 0.801 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c[nH]nc3CCC)C2)C1=O ZINC001031806569 767249118 /nfs/dbraw/zinc/24/91/18/767249118.db2.gz HAIPVQRCXCNFAK-INIZCTEOSA-N 1 1 345.447 0.811 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1OC ZINC001212337611 767254017 /nfs/dbraw/zinc/25/40/17/767254017.db2.gz WSZHRJNJOVXPKW-JHJVBQTASA-N 1 1 334.844 0.588 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3coc(OCC)n3)C2)C1=O ZINC001031814819 767266759 /nfs/dbraw/zinc/26/67/59/767266759.db2.gz XJGHSZICYGKPGO-CQSZACIVSA-N 1 1 348.403 0.522 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001046511250 767269719 /nfs/dbraw/zinc/26/97/19/767269719.db2.gz INACBIHSWUJNLI-MRXNPFEDSA-N 1 1 325.376 0.275 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccnnc3C)C2)C1=O ZINC001031816983 767272603 /nfs/dbraw/zinc/27/26/03/767272603.db2.gz MLTNHLPPFMUGCA-HNNXBMFYSA-N 1 1 329.404 0.234 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046525765 767279303 /nfs/dbraw/zinc/27/93/03/767279303.db2.gz RRBBZDXVUMDSRY-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046538539 767289218 /nfs/dbraw/zinc/28/92/18/767289218.db2.gz KPRCDTWACGZIKJ-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046538539 767289220 /nfs/dbraw/zinc/28/92/20/767289220.db2.gz KPRCDTWACGZIKJ-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046538535 767289259 /nfs/dbraw/zinc/28/92/59/767289259.db2.gz KPRCDTWACGZIKJ-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046538535 767289260 /nfs/dbraw/zinc/28/92/60/767289260.db2.gz KPRCDTWACGZIKJ-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC001046545232 767296137 /nfs/dbraw/zinc/29/61/37/767296137.db2.gz YNVVELCXPFHLKE-MRXNPFEDSA-N 1 1 325.376 0.476 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1COC3(CN(CC#N)C3)C1)CC2 ZINC001053908582 767331612 /nfs/dbraw/zinc/33/16/12/767331612.db2.gz WHRIZYMLJCZPDP-UONOGXRCSA-N 1 1 329.404 0.237 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046588887 767340298 /nfs/dbraw/zinc/34/02/98/767340298.db2.gz SKMZCDPUYIYRBI-QAPCUYQASA-N 1 1 344.390 0.439 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046588887 767340308 /nfs/dbraw/zinc/34/03/08/767340308.db2.gz SKMZCDPUYIYRBI-QAPCUYQASA-N 1 1 344.390 0.439 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CS(=O)(=O)C1 ZINC001089827902 767361146 /nfs/dbraw/zinc/36/11/46/767361146.db2.gz PVFIWEYDIOXQMO-JJXSEGSLSA-N 1 1 338.473 0.776 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106146737 767367226 /nfs/dbraw/zinc/36/72/26/767367226.db2.gz FUBFIZFATDXTJM-HUUCEWRRSA-N 1 1 331.420 0.717 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1COC3(CN(CC#N)C3)C1)C2 ZINC001053923934 767370731 /nfs/dbraw/zinc/37/07/31/767370731.db2.gz GOXATTQFQRTRIJ-KGLIPLIRSA-N 1 1 329.404 0.237 20 30 ECEDMO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924589 767373304 /nfs/dbraw/zinc/37/33/04/767373304.db2.gz XWIJIBOQNPSSMT-LSDHHAIUSA-N 1 1 328.416 0.347 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046628739 767395312 /nfs/dbraw/zinc/39/53/12/767395312.db2.gz PDBKIYXLUWXKEH-VKJFTORMSA-N 1 1 326.400 0.760 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046628739 767395319 /nfs/dbraw/zinc/39/53/19/767395319.db2.gz PDBKIYXLUWXKEH-VKJFTORMSA-N 1 1 326.400 0.760 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001046632939 767403881 /nfs/dbraw/zinc/40/38/81/767403881.db2.gz HMVRTEWHZQRWIJ-GUIRCDHDSA-N 1 1 328.420 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(CC)n1 ZINC001106154070 767404331 /nfs/dbraw/zinc/40/43/31/767404331.db2.gz FFVLZFAJAONXOC-CVEARBPZSA-N 1 1 345.447 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(CC)n1 ZINC001106154070 767404339 /nfs/dbraw/zinc/40/43/39/767404339.db2.gz FFVLZFAJAONXOC-CVEARBPZSA-N 1 1 345.447 0.334 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001106154273 767404575 /nfs/dbraw/zinc/40/45/75/767404575.db2.gz GMHXVBRRRPMAOW-CQSZACIVSA-N 1 1 332.408 0.030 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)CO2 ZINC001053948810 767430161 /nfs/dbraw/zinc/43/01/61/767430161.db2.gz RJIIDKLTUQIEGN-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1nnnc1C(C)C)CO2 ZINC001053949343 767432040 /nfs/dbraw/zinc/43/20/40/767432040.db2.gz DWKLXSWPXAXEFL-CQSZACIVSA-N 1 1 348.451 0.722 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](CCN3CCCC3=O)C2)nn1 ZINC001046680313 767468768 /nfs/dbraw/zinc/46/87/68/767468768.db2.gz BQORSYGKGSOPQM-QGZVFWFLSA-N 1 1 346.435 0.281 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001046684765 767478933 /nfs/dbraw/zinc/47/89/33/767478933.db2.gz MAWIQDWKWDCWRN-HUUCEWRRSA-N 1 1 337.464 0.620 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001106169788 767479133 /nfs/dbraw/zinc/47/91/33/767479133.db2.gz LVZWJOYXKGWSOD-DZGCQCFKSA-N 1 1 346.435 0.358 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CCn3cccn3)C2)nn1 ZINC001046689996 767487377 /nfs/dbraw/zinc/48/73/77/767487377.db2.gz QHPWXNTVKWHQSJ-KRWDZBQOSA-N 1 1 343.435 0.945 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001046695361 767498384 /nfs/dbraw/zinc/49/83/84/767498384.db2.gz DSAWHKDPPSWUOO-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ccccc1=O)CO2 ZINC001054004486 767572146 /nfs/dbraw/zinc/57/21/46/767572146.db2.gz ORXLTKMSGYHAFW-OAHLLOKOSA-N 1 1 331.416 0.774 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1CCCNC1=O ZINC001017092351 767574620 /nfs/dbraw/zinc/57/46/20/767574620.db2.gz HWFVJIWMNUCATQ-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1CCCNC1=O ZINC001017092352 767575268 /nfs/dbraw/zinc/57/52/68/767575268.db2.gz HWFVJIWMNUCATQ-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO Cn1ncc(C[N@H+](C)C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001017105755 767594269 /nfs/dbraw/zinc/59/42/69/767594269.db2.gz BNDOFDAYZLHDBL-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001017105755 767594275 /nfs/dbraw/zinc/59/42/75/767594275.db2.gz BNDOFDAYZLHDBL-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CN(CC)CCO1)CO2 ZINC001054014676 767601714 /nfs/dbraw/zinc/60/17/14/767601714.db2.gz PRRRMGZQQWWMQI-CVEARBPZSA-N 1 1 337.464 0.633 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001054032988 767632488 /nfs/dbraw/zinc/63/24/88/767632488.db2.gz LLEDKFJWWNTNOW-ZWKOTPCHSA-N 1 1 328.412 0.968 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054036561 767634949 /nfs/dbraw/zinc/63/49/49/767634949.db2.gz NRPSBUWSCVBBCC-IAGOWNOFSA-N 1 1 328.416 0.384 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054036561 767634954 /nfs/dbraw/zinc/63/49/54/767634954.db2.gz NRPSBUWSCVBBCC-IAGOWNOFSA-N 1 1 328.416 0.384 20 30 ECEDMO C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001054050356 767650114 /nfs/dbraw/zinc/65/01/14/767650114.db2.gz BHTNUCFIQXZJOF-JKSUJKDBSA-N 1 1 328.416 0.787 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001054052937 767652258 /nfs/dbraw/zinc/65/22/58/767652258.db2.gz JTQSKZLCNYGTIF-ZACQAIPSSA-N 1 1 325.412 0.674 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nnn(C(C)(C)C)n1)C2 ZINC001054135709 767731663 /nfs/dbraw/zinc/73/16/63/767731663.db2.gz IMWJUKWWOBYSID-QGZVFWFLSA-N 1 1 330.436 0.989 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001054160964 767759517 /nfs/dbraw/zinc/75/95/17/767759517.db2.gz TXGGGCJAPIJAKP-KRWDZBQOSA-N 1 1 332.404 0.449 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCN1C(=O)CCC1=O)C2 ZINC001054161747 767760014 /nfs/dbraw/zinc/76/00/14/767760014.db2.gz NTXKFRRAEYESSU-IBGZPJMESA-N 1 1 345.443 0.863 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)nc1 ZINC001017248399 767767953 /nfs/dbraw/zinc/76/79/53/767767953.db2.gz KWPHTSZUWIWSHP-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)nc1 ZINC001017248398 767767985 /nfs/dbraw/zinc/76/79/85/767767985.db2.gz KWPHTSZUWIWSHP-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3nnnn3CC1)C2 ZINC001054201960 767799976 /nfs/dbraw/zinc/79/99/76/767799976.db2.gz UGGDANKJDRMZNU-MAUKXSAKSA-N 1 1 342.447 0.573 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000992934493 767812042 /nfs/dbraw/zinc/81/20/42/767812042.db2.gz MJALQRMMOWJHRS-APWZRJJASA-N 1 1 340.427 0.912 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)NC(=O)C1(C)C)C2 ZINC001054224119 767829228 /nfs/dbraw/zinc/82/92/28/767829228.db2.gz VTKCFDSYEIMOTR-GOSISDBHSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001054227577 767835621 /nfs/dbraw/zinc/83/56/21/767835621.db2.gz OWUYBYSIFFHUSH-SFHVURJKSA-N 1 1 346.431 0.218 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001054235622 767844763 /nfs/dbraw/zinc/84/47/63/767844763.db2.gz YMEMHWGYDKHJAC-IEBWSBKVSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001054237301 767847217 /nfs/dbraw/zinc/84/72/17/767847217.db2.gz WUBIJUKJDQLMSC-GOSISDBHSA-N 1 1 346.431 0.218 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3csc(=O)[nH]3)C2)cc1 ZINC001077542330 768625508 /nfs/dbraw/zinc/62/55/08/768625508.db2.gz VTMQZQGSECYDSE-TZMCWYRMSA-N 1 1 344.396 0.695 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3csc(=O)[nH]3)C2)cc1 ZINC001077542330 768625515 /nfs/dbraw/zinc/62/55/15/768625515.db2.gz VTMQZQGSECYDSE-TZMCWYRMSA-N 1 1 344.396 0.695 20 30 ECEDMO CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001106710105 768697090 /nfs/dbraw/zinc/69/70/90/768697090.db2.gz WBEITMRUQSCXOJ-CQSZACIVSA-N 1 1 332.408 0.248 20 30 ECEDMO CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001106710105 768697093 /nfs/dbraw/zinc/69/70/93/768697093.db2.gz WBEITMRUQSCXOJ-CQSZACIVSA-N 1 1 332.408 0.248 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001055249797 768708073 /nfs/dbraw/zinc/70/80/73/768708073.db2.gz AWUAXOWNMNHDEF-OAGGEKHMSA-N 1 1 335.448 0.590 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001055291078 768744633 /nfs/dbraw/zinc/74/46/33/768744633.db2.gz JWONCYFUXDLYIX-GASCZTMLSA-N 1 1 343.431 0.757 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)C1 ZINC001055296020 768750561 /nfs/dbraw/zinc/75/05/61/768750561.db2.gz ASMGBTYVQHLNLK-LVQVYYBASA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)C1 ZINC001055296020 768750567 /nfs/dbraw/zinc/75/05/67/768750567.db2.gz ASMGBTYVQHLNLK-LVQVYYBASA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)C1 ZINC001055296212 768750779 /nfs/dbraw/zinc/75/07/79/768750779.db2.gz FOAUMSQMPMOJOM-WCVJEAGWSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)C1 ZINC001055296212 768750784 /nfs/dbraw/zinc/75/07/84/768750784.db2.gz FOAUMSQMPMOJOM-WCVJEAGWSA-N 1 1 341.415 0.510 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@@H]2C1 ZINC001055312522 768766966 /nfs/dbraw/zinc/76/69/66/768766966.db2.gz JCYMXHKUKGLPEE-NXOAAHMSSA-N 1 1 331.460 0.904 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001055313848 768770342 /nfs/dbraw/zinc/77/03/42/768770342.db2.gz FDQPJIUVCCNDFV-DAYGRLMNSA-N 1 1 337.464 0.571 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001055328818 768786071 /nfs/dbraw/zinc/78/60/71/768786071.db2.gz DIERMQWHJODAEQ-NCOADZHNSA-N 1 1 331.460 0.760 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C1 ZINC001055337914 768794407 /nfs/dbraw/zinc/79/44/07/768794407.db2.gz KPDXQAIFTCSVHV-OAGGEKHMSA-N 1 1 335.448 0.283 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001038576522 768794764 /nfs/dbraw/zinc/79/47/64/768794764.db2.gz UGBUGENEJFUFMZ-GFCCVEGCSA-N 1 1 330.396 0.464 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993344745 768817930 /nfs/dbraw/zinc/81/79/30/768817930.db2.gz DGWHHDCRBWJQLF-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001055379876 768838339 /nfs/dbraw/zinc/83/83/39/768838339.db2.gz XFQCGHKOFRHFGZ-VQHPVUNQSA-N 1 1 349.475 0.979 20 30 ECEDMO CC(C)(F)C(=O)NCC[NH+]1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001055491461 768931210 /nfs/dbraw/zinc/93/12/10/768931210.db2.gz QMSJFRVEUPCLJK-UHFFFAOYSA-N 1 1 349.410 0.945 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001018239751 768947332 /nfs/dbraw/zinc/94/73/32/768947332.db2.gz VLPTUVMMNHXWKW-OKILXGFUSA-N 1 1 348.447 0.958 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccncc3)on2)[C@@H](O)C1 ZINC001083739479 768954110 /nfs/dbraw/zinc/95/41/10/768954110.db2.gz IGBZUHILPJALIY-CABCVRRESA-N 1 1 326.356 0.535 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(-c3ccncc3)on2)[C@@H](O)C1 ZINC001083739479 768954112 /nfs/dbraw/zinc/95/41/12/768954112.db2.gz IGBZUHILPJALIY-CABCVRRESA-N 1 1 326.356 0.535 20 30 ECEDMO C[N@@H+]1CC[C@H](C(=O)NCCN2CCC(NC(=O)C#CC3CC3)CC2)C1 ZINC001055578260 769173269 /nfs/dbraw/zinc/17/32/69/769173269.db2.gz KSPBEKYXMLXPFO-INIZCTEOSA-N 1 1 346.475 0.048 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCCN2CCC(NC(=O)C#CC3CC3)CC2)C1 ZINC001055578260 769173277 /nfs/dbraw/zinc/17/32/77/769173277.db2.gz KSPBEKYXMLXPFO-INIZCTEOSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)CC1 ZINC001018356994 769178641 /nfs/dbraw/zinc/17/86/41/769178641.db2.gz ZKDACSQYSOYORU-IRXDYDNUSA-N 1 1 347.459 0.572 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583593 769181288 /nfs/dbraw/zinc/18/12/88/769181288.db2.gz UDVLSRJGIRLXFP-IIAWOOMASA-N 1 1 349.479 0.183 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583593 769181294 /nfs/dbraw/zinc/18/12/94/769181294.db2.gz UDVLSRJGIRLXFP-IIAWOOMASA-N 1 1 349.479 0.183 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001055597691 769221082 /nfs/dbraw/zinc/22/10/82/769221082.db2.gz BGYQDJRDNHULQH-ZBFHGGJFSA-N 1 1 349.479 0.327 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)C[C@@H]21 ZINC001042083665 782733277 /nfs/dbraw/zinc/73/32/77/782733277.db2.gz MJLYSSZQCWNDCU-CABCVRRESA-N 1 1 346.431 0.046 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001042084457 782733816 /nfs/dbraw/zinc/73/38/16/782733816.db2.gz YBHLYSVBPNTXRT-XNRPHZJLSA-N 1 1 342.447 0.939 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001042084455 782734272 /nfs/dbraw/zinc/73/42/72/782734272.db2.gz YBHLYSVBPNTXRT-IVMMDQJWSA-N 1 1 342.447 0.939 20 30 ECEDMO C=CCCCC(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055626629 769294175 /nfs/dbraw/zinc/29/41/75/769294175.db2.gz ZXEBVCRFDBQISO-UHFFFAOYSA-N 1 1 334.424 0.471 20 30 ECEDMO Cc1cc(CC(=O)NC2CC[NH+](CCNC(=O)[C@@H](C)C#N)CC2)[nH]n1 ZINC001055630229 769299974 /nfs/dbraw/zinc/29/99/74/769299974.db2.gz XDBADASJRGYHHM-LBPRGKRZSA-N 1 1 346.435 0.117 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H]1C ZINC000993584568 769300813 /nfs/dbraw/zinc/30/08/13/769300813.db2.gz AILUKQQZUFEBSW-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000993567683 769329878 /nfs/dbraw/zinc/32/98/78/769329878.db2.gz NAWWRMUTCODLQQ-QWRGUYRKSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000993567683 769329885 /nfs/dbraw/zinc/32/98/85/769329885.db2.gz NAWWRMUTCODLQQ-QWRGUYRKSA-N 1 1 325.390 0.143 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC000993589882 769381070 /nfs/dbraw/zinc/38/10/70/769381070.db2.gz LVINHYYNPRSQJO-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C ZINC000993654890 769433515 /nfs/dbraw/zinc/43/35/15/769433515.db2.gz CDPUFDXOWYHYQA-AAEUAGOBSA-N 1 1 342.407 0.300 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C ZINC000993654890 769433517 /nfs/dbraw/zinc/43/35/17/769433517.db2.gz CDPUFDXOWYHYQA-AAEUAGOBSA-N 1 1 342.407 0.300 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H]1C ZINC000993680832 769472145 /nfs/dbraw/zinc/47/21/45/769472145.db2.gz XDDHMCGMCOUWQI-GJZGRUSLSA-N 1 1 341.415 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@H]1C ZINC000993683142 769474927 /nfs/dbraw/zinc/47/49/27/769474927.db2.gz LJKGWGWXQSNPHZ-CABCVRRESA-N 1 1 330.436 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@H]1C ZINC000993683142 769474934 /nfs/dbraw/zinc/47/49/34/769474934.db2.gz LJKGWGWXQSNPHZ-CABCVRRESA-N 1 1 330.436 0.935 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000993687601 769483715 /nfs/dbraw/zinc/48/37/15/769483715.db2.gz MRMDKNBXRAETCL-SWLSCSKDSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993687601 769483724 /nfs/dbraw/zinc/48/37/24/769483724.db2.gz MRMDKNBXRAETCL-SWLSCSKDSA-N 1 1 339.403 0.865 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)s1 ZINC001078357991 782765236 /nfs/dbraw/zinc/76/52/36/782765236.db2.gz GONWUVSFDKXWBI-RYUDHWBXSA-N 1 1 337.449 0.967 20 30 ECEDMO Cc1cc(=O)n2nc(C[NH2+][C@H]3CCN(C(=O)[C@H](C)C#N)C3)sc2n1 ZINC001018617300 769649707 /nfs/dbraw/zinc/64/97/07/769649707.db2.gz HLJZDVGFCOVGCW-KOLCDFICSA-N 1 1 346.416 0.310 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000993806234 769650396 /nfs/dbraw/zinc/65/03/96/769650396.db2.gz KUMYMURGYPQNQT-IRXDYDNUSA-N 1 1 346.475 0.285 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2Cc2ccccc2)C1 ZINC001018619387 769654905 /nfs/dbraw/zinc/65/49/05/769654905.db2.gz WJCMKVSDALFMEI-ZFWWWQNUSA-N 1 1 339.403 0.572 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)[nH]1 ZINC001078358907 782770008 /nfs/dbraw/zinc/77/00/08/782770008.db2.gz YMCLHHCVFNMZOT-QWHCGFSZSA-N 1 1 334.424 0.795 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H]1C ZINC000993858616 769707160 /nfs/dbraw/zinc/70/71/60/769707160.db2.gz RZDUMFNHOCOUTA-ZIAGYGMSSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001042103080 782772336 /nfs/dbraw/zinc/77/23/36/782772336.db2.gz AHBGVCUDMSDWIU-CQSZACIVSA-N 1 1 335.448 0.517 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc1 ZINC000993837070 769726422 /nfs/dbraw/zinc/72/64/22/769726422.db2.gz SQOXHZJMYFHQSS-OKILXGFUSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CC3CC3)C2)C1 ZINC001018679192 769751875 /nfs/dbraw/zinc/75/18/75/769751875.db2.gz RADSZFHXLPOFDY-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CC3CC3)C2)C1 ZINC001018679192 769751887 /nfs/dbraw/zinc/75/18/87/769751887.db2.gz RADSZFHXLPOFDY-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001018682017 769755440 /nfs/dbraw/zinc/75/54/40/769755440.db2.gz KNFYXNMUTNDGRX-LBPRGKRZSA-N 1 1 342.407 0.632 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001018707860 769790512 /nfs/dbraw/zinc/79/05/12/769790512.db2.gz SDAZIMYUNMUWIN-LRDDRELGSA-N 1 1 344.390 0.914 20 30 ECEDMO CCn1nc(C)c(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001018746018 769855430 /nfs/dbraw/zinc/85/54/30/769855430.db2.gz BFIZXAYVDXMKRI-ZDUSSCGKSA-N 1 1 327.392 0.811 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC001055824817 769863007 /nfs/dbraw/zinc/86/30/07/769863007.db2.gz HZPPFJIHZFXMKC-OAHLLOKOSA-N 1 1 344.419 0.026 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC001055824817 769863023 /nfs/dbraw/zinc/86/30/23/769863023.db2.gz HZPPFJIHZFXMKC-OAHLLOKOSA-N 1 1 344.419 0.026 20 30 ECEDMO C#CCC[N@H+]1CCC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H]1C ZINC000993921361 769883998 /nfs/dbraw/zinc/88/39/98/769883998.db2.gz XBMVBFGSUMPKBL-ZFWWWQNUSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H]1C ZINC000993921361 769884009 /nfs/dbraw/zinc/88/40/09/769884009.db2.gz XBMVBFGSUMPKBL-ZFWWWQNUSA-N 1 1 326.462 0.804 20 30 ECEDMO C=C(C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055837539 769920151 /nfs/dbraw/zinc/92/01/51/769920151.db2.gz NMRXSKSXMKNVEV-CRAIPNDOSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H]1C ZINC000994003342 769992769 /nfs/dbraw/zinc/99/27/69/769992769.db2.gz GKBCMLJBRITEJB-TZMCWYRMSA-N 1 1 327.388 0.547 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H]1C ZINC000994010057 770004173 /nfs/dbraw/zinc/00/41/73/770004173.db2.gz RQHDFXNXXTVIBV-HIFRSBDPSA-N 1 1 341.415 0.937 20 30 ECEDMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1 ZINC001078374059 782799828 /nfs/dbraw/zinc/79/98/28/782799828.db2.gz PXTFDVSWJUXGLH-ZDUSSCGKSA-N 1 1 343.391 0.036 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055911380 770184531 /nfs/dbraw/zinc/18/45/31/770184531.db2.gz ZHRKXRQTIOYWIP-QAPCUYQASA-N 1 1 335.448 0.211 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)nn1 ZINC001055912534 770190257 /nfs/dbraw/zinc/19/02/57/770190257.db2.gz LNEOWMCKZHHQQV-GDBMZVCRSA-N 1 1 340.431 0.871 20 30 ECEDMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1 ZINC001078382653 782816157 /nfs/dbraw/zinc/81/61/57/782816157.db2.gz FXQXNPTUVYPCHU-CYBMUJFWSA-N 1 1 343.391 0.036 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000994190562 770280000 /nfs/dbraw/zinc/28/00/00/770280000.db2.gz CGZMXAIQBPLWRL-AWEZNQCLSA-N 1 1 330.432 0.957 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC(C)(C)C1 ZINC001089357299 770326118 /nfs/dbraw/zinc/32/61/18/770326118.db2.gz JMZKENGTNIXJAO-NWDGAFQWSA-N 1 1 331.420 0.981 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)C1 ZINC001018952194 770365583 /nfs/dbraw/zinc/36/55/83/770365583.db2.gz OGFZTSSLANNRLS-CYBMUJFWSA-N 1 1 341.415 0.513 20 30 ECEDMO CC1(C)C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001089358686 770399700 /nfs/dbraw/zinc/39/97/00/770399700.db2.gz XYVLYRRJRXWXKW-IUODEOHRSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001055981077 770435717 /nfs/dbraw/zinc/43/57/17/770435717.db2.gz WGMAPMZDSTWJEN-GOSISDBHSA-N 1 1 337.464 0.600 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001055986231 770454550 /nfs/dbraw/zinc/45/45/50/770454550.db2.gz DKDOHNZZWOAAGX-IBGZPJMESA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(C3CC3)o2)C1 ZINC001018985833 770484503 /nfs/dbraw/zinc/48/45/03/770484503.db2.gz IBYBCFXDGBTCHH-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(C3CC3)o2)C1 ZINC001018985833 770484507 /nfs/dbraw/zinc/48/45/07/770484507.db2.gz IBYBCFXDGBTCHH-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nccc(C)n2)C1 ZINC001018986361 770486815 /nfs/dbraw/zinc/48/68/15/770486815.db2.gz ZUVQPERQNWFVPW-HOTGVXAUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nccc(C)n2)C1 ZINC001018986361 770486817 /nfs/dbraw/zinc/48/68/17/770486817.db2.gz ZUVQPERQNWFVPW-HOTGVXAUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001042143328 782845506 /nfs/dbraw/zinc/84/55/06/782845506.db2.gz WPPGGMFHMOUHSG-GJZGRUSLSA-N 1 1 331.416 0.472 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001056020713 770577976 /nfs/dbraw/zinc/57/79/76/770577976.db2.gz VTXUFHHPGWZEEO-WFASDCNBSA-N 1 1 328.420 0.503 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)c2ccc(C#N)[nH]2)C3)C1 ZINC001019037804 770624089 /nfs/dbraw/zinc/62/40/89/770624089.db2.gz BMSIFLQEVWERCD-ZDUSSCGKSA-N 1 1 341.415 0.513 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001056059116 770704801 /nfs/dbraw/zinc/70/48/01/770704801.db2.gz JLMMRWQXDMTJMC-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncncc2Cl)CC1 ZINC001056067652 770732737 /nfs/dbraw/zinc/73/27/37/770732737.db2.gz QPQLWDYTYPXHHF-AWEZNQCLSA-N 1 1 333.823 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncncc2Cl)CC1 ZINC001056067652 770732739 /nfs/dbraw/zinc/73/27/39/770732739.db2.gz QPQLWDYTYPXHHF-AWEZNQCLSA-N 1 1 333.823 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC001056067601 770732747 /nfs/dbraw/zinc/73/27/47/770732747.db2.gz NDMWQLDRNUJSRP-INIZCTEOSA-N 1 1 338.415 0.403 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC001056067601 770732750 /nfs/dbraw/zinc/73/27/50/770732750.db2.gz NDMWQLDRNUJSRP-INIZCTEOSA-N 1 1 338.415 0.403 20 30 ECEDMO CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001078398543 782869489 /nfs/dbraw/zinc/86/94/89/782869489.db2.gz PUKLXPJUHSXHGI-MRXNPFEDSA-N 1 1 345.447 0.980 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056124264 770882545 /nfs/dbraw/zinc/88/25/45/770882545.db2.gz LHCAWQRBHPDLQN-HNAYVOBHSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)CC(C)(C)C1 ZINC001089398425 771045292 /nfs/dbraw/zinc/04/52/92/771045292.db2.gz DPXPSIQPFGIALT-AWEZNQCLSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(C[C@@H]3CCO[C@@H](C)C3)C2)CC1 ZINC001031434959 771069004 /nfs/dbraw/zinc/06/90/04/771069004.db2.gz LEBDVUFVDISWTM-JKSUJKDBSA-N 1 1 333.476 0.947 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)C[C@@H]21 ZINC001042177218 782894675 /nfs/dbraw/zinc/89/46/75/782894675.db2.gz VAYXMDXBBVEMOH-OLZOCXBDSA-N 1 1 342.407 0.416 20 30 ECEDMO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCc3[nH+]ccn32)n1 ZINC001056321437 771121644 /nfs/dbraw/zinc/12/16/44/771121644.db2.gz LXDRVZCKBPWEJT-QDEZUTFSSA-N 1 1 349.398 0.673 20 30 ECEDMO N#CCSCC(=O)NCC[NH2+]Cc1nnnn1-c1ccccc1 ZINC001123798904 771144857 /nfs/dbraw/zinc/14/48/57/771144857.db2.gz DRVHSPTVCUJHSE-UHFFFAOYSA-N 1 1 331.405 0.125 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089434252 771169291 /nfs/dbraw/zinc/16/92/91/771169291.db2.gz RGXNKCQDBJMTNI-CQSZACIVSA-N 1 1 346.431 0.579 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089434153 771169551 /nfs/dbraw/zinc/16/95/51/771169551.db2.gz QCGAHBBBEZYITG-AWEZNQCLSA-N 1 1 346.431 0.579 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3nn(CC)nc3C)C2)c1 ZINC001019357827 771198600 /nfs/dbraw/zinc/19/86/00/771198600.db2.gz PVSJLUFNOROPQR-INIZCTEOSA-N 1 1 338.415 0.987 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001077551244 771225116 /nfs/dbraw/zinc/22/51/16/771225116.db2.gz ULVZJAWEOUCTDQ-RRFJBIMHSA-N 1 1 337.464 0.761 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001019388215 771238863 /nfs/dbraw/zinc/23/88/63/771238863.db2.gz OYRKFPBQMDGTKU-ZNMIVQPWSA-N 1 1 330.363 0.509 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3snnc3C)C2)C1=O ZINC001031543367 771256087 /nfs/dbraw/zinc/25/60/87/771256087.db2.gz PAQIBAMAIKCLDV-LBPRGKRZSA-N 1 1 335.433 0.295 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@H](NC(=O)C#CC3CC3)CC2)C1 ZINC001060729291 771292609 /nfs/dbraw/zinc/29/26/09/771292609.db2.gz ROOTXZGTRIDSDW-ULQDDVLXSA-N 1 1 347.459 0.522 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@H](NC(=O)C#CC3CC3)CC2)C1 ZINC001060729291 771292613 /nfs/dbraw/zinc/29/26/13/771292613.db2.gz ROOTXZGTRIDSDW-ULQDDVLXSA-N 1 1 347.459 0.522 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083758690 771301436 /nfs/dbraw/zinc/30/14/36/771301436.db2.gz OIYKPPQKCGQFMR-CABCVRRESA-N 1 1 335.448 0.517 20 30 ECEDMO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031580975 771337081 /nfs/dbraw/zinc/33/70/81/771337081.db2.gz XTKOFELBJABCFM-ZIAGYGMSSA-N 1 1 333.413 0.977 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)C2)cc1 ZINC001019479287 771342777 /nfs/dbraw/zinc/34/27/77/771342777.db2.gz ZUIAETKNWIIOMF-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cn(CC)nn3)C2)nn1 ZINC001019482223 771346031 /nfs/dbraw/zinc/34/60/31/771346031.db2.gz LKFPMTHMDXRSPC-LBPRGKRZSA-N 1 1 330.396 0.080 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001056599897 771419932 /nfs/dbraw/zinc/41/99/32/771419932.db2.gz TVLJEQVMDAXXRW-TZMCWYRMSA-N 1 1 333.367 0.436 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001056599897 771419936 /nfs/dbraw/zinc/41/99/36/771419936.db2.gz TVLJEQVMDAXXRW-TZMCWYRMSA-N 1 1 333.367 0.436 20 30 ECEDMO CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C#CC(C)C ZINC001212241810 771420206 /nfs/dbraw/zinc/42/02/06/771420206.db2.gz ZFWLPUPUUBBQBO-IAGOWNOFSA-N 1 1 332.448 0.975 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C#CC(C)C ZINC001212241810 771420208 /nfs/dbraw/zinc/42/02/08/771420208.db2.gz ZFWLPUPUUBBQBO-IAGOWNOFSA-N 1 1 332.448 0.975 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC(C)(C)C2)cn1 ZINC001089543413 771436602 /nfs/dbraw/zinc/43/66/02/771436602.db2.gz BMWMALSXBIANDI-OAHLLOKOSA-N 1 1 328.416 0.769 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC001089560802 771490827 /nfs/dbraw/zinc/49/08/27/771490827.db2.gz HMHMLHZJILCAMD-ZIAGYGMSSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC001089560802 771490830 /nfs/dbraw/zinc/49/08/30/771490830.db2.gz HMHMLHZJILCAMD-ZIAGYGMSSA-N 1 1 326.462 0.804 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561188 771493796 /nfs/dbraw/zinc/49/37/96/771493796.db2.gz NVJGHDMKZTZAGX-STQMWFEESA-N 1 1 329.466 0.471 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)C2CCN(C(=O)C(C)C)CC2)C1=O ZINC001089571914 771538470 /nfs/dbraw/zinc/53/84/70/771538470.db2.gz IZDGKMPSZDGNAA-MRXNPFEDSA-N 1 1 337.464 0.715 20 30 ECEDMO Cn1oc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)cc1=O ZINC001031636581 771556606 /nfs/dbraw/zinc/55/66/06/771556606.db2.gz GUYZICMRNNHQCH-UHFFFAOYSA-N 1 1 325.368 0.692 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(F)F)CCCO1 ZINC001019611118 771592080 /nfs/dbraw/zinc/59/20/80/771592080.db2.gz BNFQKZDHLVWHDA-STQMWFEESA-N 1 1 343.374 0.083 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(F)F)CCCO1 ZINC001019611118 771592083 /nfs/dbraw/zinc/59/20/83/771592083.db2.gz BNFQKZDHLVWHDA-STQMWFEESA-N 1 1 343.374 0.083 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001019641577 771648596 /nfs/dbraw/zinc/64/85/96/771648596.db2.gz MOVYNDIRIMWYKH-VQHPVUNQSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001019641577 771648601 /nfs/dbraw/zinc/64/86/01/771648601.db2.gz MOVYNDIRIMWYKH-VQHPVUNQSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001019648269 771663803 /nfs/dbraw/zinc/66/38/03/771663803.db2.gz MOVYNDIRIMWYKH-YVSFHVDLSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001019648269 771663805 /nfs/dbraw/zinc/66/38/05/771663805.db2.gz MOVYNDIRIMWYKH-YVSFHVDLSA-N 1 1 347.459 0.474 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056880012 771757750 /nfs/dbraw/zinc/75/77/50/771757750.db2.gz RXHOLCDQHLTFDM-CABCVRRESA-N 1 1 344.419 0.024 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056880012 771757754 /nfs/dbraw/zinc/75/77/54/771757754.db2.gz RXHOLCDQHLTFDM-CABCVRRESA-N 1 1 344.419 0.024 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3cnc(C#N)cn3)C2)C1 ZINC001056928258 771819057 /nfs/dbraw/zinc/81/90/57/771819057.db2.gz COEHUAKDIHVGEQ-CABCVRRESA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3cnc(C#N)cn3)C2)C1 ZINC001056928258 771819058 /nfs/dbraw/zinc/81/90/58/771819058.db2.gz COEHUAKDIHVGEQ-CABCVRRESA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3cnc(C#N)cn3)C2)C1 ZINC001056928260 771819161 /nfs/dbraw/zinc/81/91/61/771819161.db2.gz COEHUAKDIHVGEQ-HUUCEWRRSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3cnc(C#N)cn3)C2)C1 ZINC001056928260 771819167 /nfs/dbraw/zinc/81/91/67/771819167.db2.gz COEHUAKDIHVGEQ-HUUCEWRRSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CCn3cccn3)C2)CC1 ZINC001019812271 771826967 /nfs/dbraw/zinc/82/69/67/771826967.db2.gz GJHOKVDWBOSIJK-KRWDZBQOSA-N 1 1 329.448 0.419 20 30 ECEDMO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001056941520 771839106 /nfs/dbraw/zinc/83/91/06/771839106.db2.gz BMWKLNIUEKDYRC-UKRRQHHQSA-N 1 1 328.420 0.727 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 ZINC001056989683 771916278 /nfs/dbraw/zinc/91/62/78/771916278.db2.gz YCNRFPDNTDHHJO-CQSZACIVSA-N 1 1 325.376 0.591 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3cnc(C#N)cn3)C2)C1 ZINC001057029121 771965927 /nfs/dbraw/zinc/96/59/27/771965927.db2.gz FJDZKGLEOSKSOB-UKRRQHHQSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3cncc(C#N)n3)C2)C1 ZINC001057030221 771967872 /nfs/dbraw/zinc/96/78/72/771967872.db2.gz YSFZYYZMTWNZPT-DZGCQCFKSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2nc(C)ns2)C1 ZINC001057059868 772013156 /nfs/dbraw/zinc/01/31/56/772013156.db2.gz AYUIHZACSSYJDG-KGLIPLIRSA-N 1 1 333.461 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2nc(C)ns2)C1 ZINC001057059868 772013162 /nfs/dbraw/zinc/01/31/62/772013162.db2.gz AYUIHZACSSYJDG-KGLIPLIRSA-N 1 1 333.461 0.981 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@H]21 ZINC001042244295 782975799 /nfs/dbraw/zinc/97/57/99/782975799.db2.gz WQYUOPLCFRUDKA-GDBMZVCRSA-N 1 1 342.443 0.911 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001020079993 772133765 /nfs/dbraw/zinc/13/37/65/772133765.db2.gz LOJJTIFNVUMVAE-HAQNSBGRSA-N 1 1 328.380 0.333 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001057171012 772211690 /nfs/dbraw/zinc/21/16/90/772211690.db2.gz KMAUHCRWLSOKAU-HNNXBMFYSA-N 1 1 325.453 0.763 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057172936 772213676 /nfs/dbraw/zinc/21/36/76/772213676.db2.gz YTJBLOZZBZHJOY-JKSUJKDBSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001020169330 772239163 /nfs/dbraw/zinc/23/91/63/772239163.db2.gz VJDSKDBSDRCSCW-TUVASFSCSA-N 1 1 348.451 0.801 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@H](C[NH2+]Cc3nncn3C)C2)C1 ZINC001078464646 782995393 /nfs/dbraw/zinc/99/53/93/782995393.db2.gz CZBFREZIBYQKFU-CQSZACIVSA-N 1 1 333.436 0.879 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001020201478 772276776 /nfs/dbraw/zinc/27/67/76/772276776.db2.gz DXKLNKBXOLINMB-CQDKDKBSSA-N 1 1 329.404 0.700 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057252918 772347636 /nfs/dbraw/zinc/34/76/36/772347636.db2.gz YXIUJLFMIUTAEG-INIZCTEOSA-N 1 1 338.415 0.485 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057252918 772347638 /nfs/dbraw/zinc/34/76/38/772347638.db2.gz YXIUJLFMIUTAEG-INIZCTEOSA-N 1 1 338.415 0.485 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)c1 ZINC001020272548 772383484 /nfs/dbraw/zinc/38/34/84/772383484.db2.gz QICJVHGGDKGMJR-LXZKKBNFSA-N 1 1 340.427 0.734 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCC(Nc3ccnc(C#N)n3)CC2)CC[N@H+]1C ZINC001057410641 772585257 /nfs/dbraw/zinc/58/52/57/772585257.db2.gz GCGCYLVMNOMUQS-KBPBESRZSA-N 1 1 342.447 0.903 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057601652 772799580 /nfs/dbraw/zinc/79/95/80/772799580.db2.gz QPUBLEBXWIEUIU-CQSZACIVSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CCC1(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001057636126 772843390 /nfs/dbraw/zinc/84/33/90/772843390.db2.gz NTCRKBBNBXFCFR-HNNXBMFYSA-N 1 1 337.464 0.622 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057643721 772855240 /nfs/dbraw/zinc/85/52/40/772855240.db2.gz JEQVPRXQOZBUKI-KGLIPLIRSA-N 1 1 336.436 0.587 20 30 ECEDMO C=CCC(CC=C)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001057681288 772907212 /nfs/dbraw/zinc/90/72/12/772907212.db2.gz BXXPOWSSNVCBBX-UHFFFAOYSA-N 1 1 348.447 0.897 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739074 772955861 /nfs/dbraw/zinc/95/58/61/772955861.db2.gz KVIMVDDQGOZVHU-RKVPGOIHSA-N 1 1 339.480 0.866 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057786118 772981662 /nfs/dbraw/zinc/98/16/62/772981662.db2.gz IGNPKXXENPZIJS-AWEZNQCLSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057786118 772981663 /nfs/dbraw/zinc/98/16/63/772981663.db2.gz IGNPKXXENPZIJS-AWEZNQCLSA-N 1 1 344.419 0.011 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001057876349 773113999 /nfs/dbraw/zinc/11/39/99/773113999.db2.gz HQGYAZBGXIQDHI-HNNXBMFYSA-N 1 1 346.431 0.357 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057945933 773245639 /nfs/dbraw/zinc/24/56/39/773245639.db2.gz MKJUUVLZHQDKRD-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@H](C)CC ZINC001057961079 773290564 /nfs/dbraw/zinc/29/05/64/773290564.db2.gz IIDOQUQVOTZBBQ-CVEARBPZSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@H](C)CC ZINC001057961079 773290570 /nfs/dbraw/zinc/29/05/70/773290570.db2.gz IIDOQUQVOTZBBQ-CVEARBPZSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCCC1CC1 ZINC001057961987 773292973 /nfs/dbraw/zinc/29/29/73/773292973.db2.gz BYQOIZGBBBMWMG-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCCC1CC1 ZINC001057961987 773292978 /nfs/dbraw/zinc/29/29/78/773292978.db2.gz BYQOIZGBBBMWMG-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C/C=C(/C)C=C ZINC001057961989 773293578 /nfs/dbraw/zinc/29/35/78/773293578.db2.gz BYWUKHBBPNYPEC-KZRVJCNKSA-N 1 1 347.459 0.544 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C/C=C(/C)C=C ZINC001057961989 773293582 /nfs/dbraw/zinc/29/35/82/773293582.db2.gz BYWUKHBBPNYPEC-KZRVJCNKSA-N 1 1 347.459 0.544 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCN(c2nccnc2C#N)CC1 ZINC001058043591 773416734 /nfs/dbraw/zinc/41/67/34/773416734.db2.gz YDEBNCQKPILIQY-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCN(c2nccnc2C#N)CC1 ZINC001058043591 773416737 /nfs/dbraw/zinc/41/67/37/773416737.db2.gz YDEBNCQKPILIQY-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(c2nccnc2C#N)CC1 ZINC001058056521 773446606 /nfs/dbraw/zinc/44/66/06/773446606.db2.gz ZLFPXGSGVVXADW-CYBMUJFWSA-N 1 1 328.420 0.727 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001040612877 783100590 /nfs/dbraw/zinc/10/05/90/783100590.db2.gz GORIMRSPKAONBT-YJBOKZPZSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC1(C)CC1 ZINC001058133378 773601398 /nfs/dbraw/zinc/60/13/98/773601398.db2.gz IUQUHRUGLSRIQK-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC1(C)CC1 ZINC001058133378 773601399 /nfs/dbraw/zinc/60/13/99/773601399.db2.gz IUQUHRUGLSRIQK-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058135102 773605364 /nfs/dbraw/zinc/60/53/64/773605364.db2.gz XEODAXNIHJJMJW-GJZGRUSLSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058135102 773605369 /nfs/dbraw/zinc/60/53/69/773605369.db2.gz XEODAXNIHJJMJW-GJZGRUSLSA-N 1 1 329.404 0.369 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058157780 773658488 /nfs/dbraw/zinc/65/84/88/773658488.db2.gz HUZGBKUQBLJUOZ-JKSUJKDBSA-N 1 1 339.480 0.868 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058167525 773684095 /nfs/dbraw/zinc/68/40/95/773684095.db2.gz FMKVIXHXWOELOH-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058167525 773684102 /nfs/dbraw/zinc/68/41/02/773684102.db2.gz FMKVIXHXWOELOH-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058168186 773685060 /nfs/dbraw/zinc/68/50/60/773685060.db2.gz WTTZMPLWASXZMY-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058168186 773685065 /nfs/dbraw/zinc/68/50/65/773685065.db2.gz WTTZMPLWASXZMY-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CCC ZINC001058252289 773843893 /nfs/dbraw/zinc/84/38/93/773843893.db2.gz CYBSNYUHFPOPQN-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039809245 783133574 /nfs/dbraw/zinc/13/35/74/783133574.db2.gz SRUXXVACWWVIRI-APWZRJJASA-N 1 1 349.475 0.786 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058302474 773936801 /nfs/dbraw/zinc/93/68/01/773936801.db2.gz UNZHPOCEASJVLC-AWEZNQCLSA-N 1 1 325.453 0.478 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058317429 773963094 /nfs/dbraw/zinc/96/30/94/773963094.db2.gz WKYHBWRZXRFTAC-GJZGRUSLSA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058317429 773963103 /nfs/dbraw/zinc/96/31/03/773963103.db2.gz WKYHBWRZXRFTAC-GJZGRUSLSA-N 1 1 329.404 0.287 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC(C)=C(C)C ZINC001058398956 774105580 /nfs/dbraw/zinc/10/55/80/774105580.db2.gz KFWNBZYSFCNZIW-KRWDZBQOSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC(C)=C(C)C ZINC001058398956 774105582 /nfs/dbraw/zinc/10/55/82/774105582.db2.gz KFWNBZYSFCNZIW-KRWDZBQOSA-N 1 1 349.475 0.768 20 30 ECEDMO N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)nn1 ZINC001058469932 774245632 /nfs/dbraw/zinc/24/56/32/774245632.db2.gz VIQJYBBZQZXWIY-ZIAGYGMSSA-N 1 1 337.387 0.817 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)no1 ZINC001058482372 774275833 /nfs/dbraw/zinc/27/58/33/774275833.db2.gz BIOOOCOICPLBAG-LLVKDONJSA-N 1 1 341.375 0.407 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001058580505 774471337 /nfs/dbraw/zinc/47/13/37/774471337.db2.gz QVLFKVFNXZLRGQ-VNHYZAJKSA-N 1 1 328.420 0.692 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)O1 ZINC001058588076 774485265 /nfs/dbraw/zinc/48/52/65/774485265.db2.gz RCLWVLZYGBQPAE-IVMMDQJWSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)O1 ZINC001058588076 774485270 /nfs/dbraw/zinc/48/52/70/774485270.db2.gz RCLWVLZYGBQPAE-IVMMDQJWSA-N 1 1 329.404 0.367 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(c1ccnc(C#N)n1)CC2 ZINC001058627537 774566571 /nfs/dbraw/zinc/56/65/71/774566571.db2.gz VRNKDSHNFZCNEV-KGLIPLIRSA-N 1 1 340.431 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(C)=C(C)C)C1 ZINC001044874580 774696434 /nfs/dbraw/zinc/69/64/34/774696434.db2.gz QVHOSQNWIROKID-INIZCTEOSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(C)=C(C)C)C1 ZINC001044874580 774696438 /nfs/dbraw/zinc/69/64/38/774696438.db2.gz QVHOSQNWIROKID-INIZCTEOSA-N 1 1 347.459 0.520 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001044998663 774815550 /nfs/dbraw/zinc/81/55/50/774815550.db2.gz JYHIQAWIYMUAPX-MRXNPFEDSA-N 1 1 349.475 0.742 20 30 ECEDMO CCn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)nn1 ZINC001044999594 774817047 /nfs/dbraw/zinc/81/70/47/774817047.db2.gz FXSAFJKIJMJRDK-AWEZNQCLSA-N 1 1 327.392 0.892 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)C1 ZINC001040674508 783231412 /nfs/dbraw/zinc/23/14/12/783231412.db2.gz VEWUBNCZLXIHHY-QLFBSQMISA-N 1 1 340.431 0.727 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@@H](n2ccnn2)C1 ZINC001070016594 790335438 /nfs/dbraw/zinc/33/54/38/790335438.db2.gz STGVLEWJCOWUPY-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@@H](n2ccnn2)C1 ZINC001070016594 790335452 /nfs/dbraw/zinc/33/54/52/790335452.db2.gz STGVLEWJCOWUPY-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001045279375 775307661 /nfs/dbraw/zinc/30/76/61/775307661.db2.gz HOVARHIXAMJQGD-AWEZNQCLSA-N 1 1 341.371 0.871 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001044010660 775505466 /nfs/dbraw/zinc/50/54/66/775505466.db2.gz ACMHVPPFAKKCSJ-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](n2ccnn2)C1 ZINC001070032586 790394700 /nfs/dbraw/zinc/39/47/00/790394700.db2.gz BESVWGSJYBMYJI-SUJAAXHWSA-N 1 1 331.420 0.763 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](n2ccnn2)C1 ZINC001070032586 790394709 /nfs/dbraw/zinc/39/47/09/790394709.db2.gz BESVWGSJYBMYJI-SUJAAXHWSA-N 1 1 331.420 0.763 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001045642574 775953095 /nfs/dbraw/zinc/95/30/95/775953095.db2.gz ITELVLJCHPDTRQ-LLVKDONJSA-N 1 1 335.857 0.401 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001068497094 790408487 /nfs/dbraw/zinc/40/84/87/790408487.db2.gz LTZSFRUFLILBOR-JQFCIGGWSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001068497094 790408493 /nfs/dbraw/zinc/40/84/93/790408493.db2.gz LTZSFRUFLILBOR-JQFCIGGWSA-N 1 1 343.431 0.981 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC2(CO1)CCN(CC#N)CC2 ZINC001045673410 776014168 /nfs/dbraw/zinc/01/41/68/776014168.db2.gz RKIKAYNIAYLMRT-HZPDHXFCSA-N 1 1 334.464 0.982 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001068497656 790410929 /nfs/dbraw/zinc/41/09/29/790410929.db2.gz ZTZQXCRMQGKFMD-BPLDGKMQSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001068497656 790410936 /nfs/dbraw/zinc/41/09/36/790410936.db2.gz ZTZQXCRMQGKFMD-BPLDGKMQSA-N 1 1 344.419 0.376 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001044560189 776440486 /nfs/dbraw/zinc/44/04/86/776440486.db2.gz RIWARJVOCIDTHZ-QWRGUYRKSA-N 1 1 328.380 0.193 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CO[C@H](C)CC)C1 ZINC001079626703 776547861 /nfs/dbraw/zinc/54/78/61/776547861.db2.gz UNCRZERLBOOJCK-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CO[C@H](C)CC)C1 ZINC001079626703 776547868 /nfs/dbraw/zinc/54/78/68/776547868.db2.gz UNCRZERLBOOJCK-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642703 776588937 /nfs/dbraw/zinc/58/89/37/776588937.db2.gz JHBQBWMMXHCOMO-BMFZPTHFSA-N 1 1 327.384 0.583 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642703 776588944 /nfs/dbraw/zinc/58/89/44/776588944.db2.gz JHBQBWMMXHCOMO-BMFZPTHFSA-N 1 1 327.384 0.583 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[C@H](C)OC)C1 ZINC001079654301 776621991 /nfs/dbraw/zinc/62/19/91/776621991.db2.gz NWBZYBBJHPCFHZ-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[C@H](C)OC)C1 ZINC001079654301 776621996 /nfs/dbraw/zinc/62/19/96/776621996.db2.gz NWBZYBBJHPCFHZ-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079686411 776684338 /nfs/dbraw/zinc/68/43/38/776684338.db2.gz CKPAZWZAYWXBHK-KSSFIOAISA-N 1 1 337.464 0.715 20 30 ECEDMO CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001079732680 776772331 /nfs/dbraw/zinc/77/23/31/776772331.db2.gz KFDYPLXMWGBJMC-NVXWUHKLSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079775409 776849223 /nfs/dbraw/zinc/84/92/23/776849223.db2.gz XVQHCQFHCITCRG-HOCLYGCPSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079844273 776965364 /nfs/dbraw/zinc/96/53/64/776965364.db2.gz GQDGJYABLVAKHZ-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079844273 776965369 /nfs/dbraw/zinc/96/53/69/776965369.db2.gz GQDGJYABLVAKHZ-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO CCN(C(=O)[C@@H](Cn1cccn1)[NH+](C)C)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001079943671 777121399 /nfs/dbraw/zinc/12/13/99/777121399.db2.gz KRHSFHFQQLSMDT-DZGCQCFKSA-N 1 1 346.435 0.032 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001079966984 777169023 /nfs/dbraw/zinc/16/90/23/777169023.db2.gz QVPKQILYUBNSES-UHFFFAOYSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001079997634 777208767 /nfs/dbraw/zinc/20/87/67/777208767.db2.gz XZLPCEKGXAVIIL-CQSZACIVSA-N 1 1 337.464 0.814 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001080017252 777237042 /nfs/dbraw/zinc/23/70/42/777237042.db2.gz CPEKNDWSLPSWFF-CHWSQXEVSA-N 1 1 328.376 0.393 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001080051286 777306159 /nfs/dbraw/zinc/30/61/59/777306159.db2.gz RIJFQLAIRZRMSD-MRXNPFEDSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001080178803 777508780 /nfs/dbraw/zinc/50/87/80/777508780.db2.gz RJIXMOMCKNAAJI-UKRRQHHQSA-N 1 1 327.388 0.993 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261470 777622737 /nfs/dbraw/zinc/62/27/37/777622737.db2.gz OMINECHHQWTBGU-DDTOSNHZSA-N 1 1 332.429 0.692 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261470 777622741 /nfs/dbraw/zinc/62/27/41/777622741.db2.gz OMINECHHQWTBGU-DDTOSNHZSA-N 1 1 332.429 0.692 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116166 777757317 /nfs/dbraw/zinc/75/73/17/777757317.db2.gz NLLNGLJUQMNPBN-GFCCVEGCSA-N 1 1 343.855 0.406 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1 ZINC001070088785 790564740 /nfs/dbraw/zinc/56/47/40/790564740.db2.gz FJRNUPWFCUDGEY-KGLIPLIRSA-N 1 1 328.376 0.610 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1 ZINC001070088785 790564748 /nfs/dbraw/zinc/56/47/48/790564748.db2.gz FJRNUPWFCUDGEY-KGLIPLIRSA-N 1 1 328.376 0.610 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043133520 777796818 /nfs/dbraw/zinc/79/68/18/777796818.db2.gz RRMMDEGXJKQGGK-UHFFFAOYSA-N 1 1 346.431 0.465 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)c1 ZINC001080408458 777808433 /nfs/dbraw/zinc/80/84/33/777808433.db2.gz HPLXMZPIBHFDMC-CZUORRHYSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)c1 ZINC001080408458 777808444 /nfs/dbraw/zinc/80/84/44/777808444.db2.gz HPLXMZPIBHFDMC-CZUORRHYSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001080464869 777898805 /nfs/dbraw/zinc/89/88/05/777898805.db2.gz NRFUVVBJCRLRDT-CRAIPNDOSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001080464869 777898815 /nfs/dbraw/zinc/89/88/15/777898815.db2.gz NRFUVVBJCRLRDT-CRAIPNDOSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001043187598 777912500 /nfs/dbraw/zinc/91/25/00/777912500.db2.gz KYPAFGVRRQUXFX-HNNXBMFYSA-N 1 1 349.475 0.929 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001043187565 777912537 /nfs/dbraw/zinc/91/25/37/777912537.db2.gz JSFWHALQQXWGFO-OAHLLOKOSA-N 1 1 349.475 0.786 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043202585 777947875 /nfs/dbraw/zinc/94/78/75/777947875.db2.gz PMPHUNCKSBAUBG-LBPRGKRZSA-N 1 1 343.855 0.406 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001080534290 777977298 /nfs/dbraw/zinc/97/72/98/777977298.db2.gz RFIDNDXKKDEUHR-FVQBIDKESA-N 1 1 345.447 0.415 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070094096 790581128 /nfs/dbraw/zinc/58/11/28/790581128.db2.gz YSRFNILRGAZDJQ-CVEARBPZSA-N 1 1 341.419 0.226 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001080557760 778024686 /nfs/dbraw/zinc/02/46/86/778024686.db2.gz DFJZILFGHJRCHM-GJZGRUSLSA-N 1 1 335.448 0.568 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001070095044 790585098 /nfs/dbraw/zinc/58/50/98/790585098.db2.gz RVRWITRBNFIRBE-KGLIPLIRSA-N 1 1 349.826 0.577 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043264070 778066343 /nfs/dbraw/zinc/06/63/43/778066343.db2.gz NWWHFIAARIXUDI-RBSFLKMASA-N 1 1 337.464 0.618 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001043314981 778146298 /nfs/dbraw/zinc/14/62/98/778146298.db2.gz KURLPOWCOUWMHY-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001043461798 778371785 /nfs/dbraw/zinc/37/17/85/778371785.db2.gz FAGDFJMZALSFQS-AWEZNQCLSA-N 1 1 346.431 0.806 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001043531608 778481257 /nfs/dbraw/zinc/48/12/57/778481257.db2.gz UJHSSOQEGXKKKN-KRWDZBQOSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C2)CCC1 ZINC001043612019 778591404 /nfs/dbraw/zinc/59/14/04/778591404.db2.gz CDLNVACLQMUUOR-UHFFFAOYSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070112736 790645823 /nfs/dbraw/zinc/64/58/23/790645823.db2.gz OPHDWFDZUPWAFB-IMJJTQAJSA-N 1 1 343.435 0.733 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043771785 778846091 /nfs/dbraw/zinc/84/60/91/778846091.db2.gz YYBRHTHKLIXFRD-WMLDXEAASA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1n1ccnn1 ZINC001070132190 790712311 /nfs/dbraw/zinc/71/23/11/790712311.db2.gz PGQIOYFONMROJM-KGLIPLIRSA-N 1 1 348.794 0.319 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001070135835 790718882 /nfs/dbraw/zinc/71/88/82/790718882.db2.gz DUURLRAJMIPQEV-OLZOCXBDSA-N 1 1 335.799 0.419 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC001042272145 779953735 /nfs/dbraw/zinc/95/37/35/779953735.db2.gz MAEKXSMACUNVKB-ZIAGYGMSSA-N 1 1 334.420 0.427 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccnc4nc(C)nn43)C[C@@H]21 ZINC001042312424 780052335 /nfs/dbraw/zinc/05/23/35/780052335.db2.gz NSGINBLSNYJOJO-HOCLYGCPSA-N 1 1 338.415 0.992 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]21 ZINC001042313392 780055567 /nfs/dbraw/zinc/05/55/67/780055567.db2.gz SXBVFNFGKLWFHL-VXGBXAGGSA-N 1 1 346.387 0.456 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]21 ZINC001042313389 780056162 /nfs/dbraw/zinc/05/61/62/780056162.db2.gz SXBVFNFGKLWFHL-NEPJUHHUSA-N 1 1 346.387 0.456 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@@H]21 ZINC001042317423 780061992 /nfs/dbraw/zinc/06/19/92/780061992.db2.gz XXOLJWJGNRUDDZ-WBMJQRKESA-N 1 1 337.379 0.740 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 ZINC001042333594 780088291 /nfs/dbraw/zinc/08/82/91/780088291.db2.gz PYFABUFKCWNZOZ-LSDHHAIUSA-N 1 1 333.436 0.389 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@@H]21 ZINC001042348819 780115979 /nfs/dbraw/zinc/11/59/79/780115979.db2.gz FYDMFTBICJZBIF-KGLIPLIRSA-N 1 1 330.388 0.868 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(=O)n(CCC)n3)C[C@H]21 ZINC001042351944 780122158 /nfs/dbraw/zinc/12/21/58/780122158.db2.gz VLCMISOWNQKLJB-GOEBONIOSA-N 1 1 328.416 0.823 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@@H]21 ZINC001042358323 780139602 /nfs/dbraw/zinc/13/96/02/780139602.db2.gz QUVLKFCJQYEJAL-KGLIPLIRSA-N 1 1 326.404 0.776 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]21 ZINC001042375147 780163796 /nfs/dbraw/zinc/16/37/96/780163796.db2.gz SUSMPUVJBXIZIW-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001042502306 780359126 /nfs/dbraw/zinc/35/91/26/780359126.db2.gz KJOCETFYNOYJOO-WOSRLPQWSA-N 1 1 342.447 0.939 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042510837 780367778 /nfs/dbraw/zinc/36/77/78/780367778.db2.gz OPPKUDKGCXTAMW-HZSPNIEDSA-N 1 1 328.420 0.773 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001042629275 780554297 /nfs/dbraw/zinc/55/42/97/780554297.db2.gz BQWUNBVUCUDTGL-AAVRWANBSA-N 1 1 344.419 0.008 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001042629275 780554302 /nfs/dbraw/zinc/55/43/02/780554302.db2.gz BQWUNBVUCUDTGL-AAVRWANBSA-N 1 1 344.419 0.008 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001078896789 780594350 /nfs/dbraw/zinc/59/43/50/780594350.db2.gz UBMWNQAGQGNKPD-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001078896789 780594354 /nfs/dbraw/zinc/59/43/54/780594354.db2.gz UBMWNQAGQGNKPD-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001042663830 780606343 /nfs/dbraw/zinc/60/63/43/780606343.db2.gz HHWOYNURKMIUNR-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO CN(c1nccnc1C#N)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001068657391 790820452 /nfs/dbraw/zinc/82/04/52/790820452.db2.gz RWHNKKLFTBIOIK-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2=COCCO2)C1 ZINC001079122580 780779821 /nfs/dbraw/zinc/77/98/21/780779821.db2.gz HVVHAKDLRJSRHU-IAGOWNOFSA-N 1 1 342.395 0.582 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2=COCCO2)C1 ZINC001079122580 780779828 /nfs/dbraw/zinc/77/98/28/780779828.db2.gz HVVHAKDLRJSRHU-IAGOWNOFSA-N 1 1 342.395 0.582 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001042803095 780849221 /nfs/dbraw/zinc/84/92/21/780849221.db2.gz RTLBTYHFYSQLJJ-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H](NCC#N)C2)C1 ZINC001079289047 780964106 /nfs/dbraw/zinc/96/41/06/780964106.db2.gz NBRLNPCPLTWILQ-UAGQMJEPSA-N 1 1 346.406 0.564 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H](NCC#N)C2)C1 ZINC001079289047 780964113 /nfs/dbraw/zinc/96/41/13/780964113.db2.gz NBRLNPCPLTWILQ-UAGQMJEPSA-N 1 1 346.406 0.564 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079342488 781006296 /nfs/dbraw/zinc/00/62/96/781006296.db2.gz OZZCDOITTRJNKH-AWEZNQCLSA-N 1 1 338.477 0.787 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)on3)C2)C1=O ZINC001079394251 781070964 /nfs/dbraw/zinc/07/09/64/781070964.db2.gz NJBVONFYPSJRDE-DFBGVHRSSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)on3)C2)C1=O ZINC001079394251 781070972 /nfs/dbraw/zinc/07/09/72/781070972.db2.gz NJBVONFYPSJRDE-DFBGVHRSSA-N 1 1 332.404 0.820 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 ZINC001042943591 781078175 /nfs/dbraw/zinc/07/81/75/781078175.db2.gz UFRSZZPFBTUKKJ-OAHLLOKOSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2nncn2C)C1 ZINC001042960638 781102614 /nfs/dbraw/zinc/10/26/14/781102614.db2.gz RCFOOLBQLWRXIG-ZFWWWQNUSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2nncn2C)C1 ZINC001042960638 781102616 /nfs/dbraw/zinc/10/26/16/781102616.db2.gz RCFOOLBQLWRXIG-ZFWWWQNUSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nc(C(C)C)no2)C1 ZINC001042961003 781103894 /nfs/dbraw/zinc/10/38/94/781103894.db2.gz WGBJTPHWXGXMDX-HNNXBMFYSA-N 1 1 345.447 0.933 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nc(C(C)C)no2)C1 ZINC001042961003 781103901 /nfs/dbraw/zinc/10/39/01/781103901.db2.gz WGBJTPHWXGXMDX-HNNXBMFYSA-N 1 1 345.447 0.933 20 30 ECEDMO CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001043010895 781177375 /nfs/dbraw/zinc/17/73/75/781177375.db2.gz DLUMPHAWQWZKEZ-QHSBEEBCSA-N 1 1 344.419 0.008 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001079497608 781187879 /nfs/dbraw/zinc/18/78/79/781187879.db2.gz MBLOHDYWFXYTLT-DFBGVHRSSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001079497608 781187881 /nfs/dbraw/zinc/18/78/81/781187881.db2.gz MBLOHDYWFXYTLT-DFBGVHRSSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001079508234 781203709 /nfs/dbraw/zinc/20/37/09/781203709.db2.gz WHUFGTHBAZFIRK-DFBGVHRSSA-N 1 1 345.447 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001079508234 781203713 /nfs/dbraw/zinc/20/37/13/781203713.db2.gz WHUFGTHBAZFIRK-DFBGVHRSSA-N 1 1 345.447 0.864 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043043392 781234648 /nfs/dbraw/zinc/23/46/48/781234648.db2.gz JRJRIDNEQATVNG-OAHLLOKOSA-N 1 1 349.475 0.598 20 30 ECEDMO CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001079539514 781240735 /nfs/dbraw/zinc/24/07/35/781240735.db2.gz IYTMUPNZQPTNOU-WQVCFCJDSA-N 1 1 343.431 0.946 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001079539514 781240739 /nfs/dbraw/zinc/24/07/39/781240739.db2.gz IYTMUPNZQPTNOU-WQVCFCJDSA-N 1 1 343.431 0.946 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001043061556 781259401 /nfs/dbraw/zinc/25/94/01/781259401.db2.gz JAVZZOSQMCAMKJ-UHFFFAOYSA-N 1 1 334.420 0.483 20 30 ECEDMO C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581531 781285818 /nfs/dbraw/zinc/28/58/18/781285818.db2.gz RZZGYZVDLVJFIY-MLGOLLRUSA-N 1 1 326.404 0.913 20 30 ECEDMO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588610 781291213 /nfs/dbraw/zinc/29/12/13/781291213.db2.gz JZARKMXHASKEIT-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@H]2O)CC1 ZINC001077622766 781368805 /nfs/dbraw/zinc/36/88/05/781368805.db2.gz ZXBBQRBPEVHCLC-IAGOWNOFSA-N 1 1 347.463 0.803 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]2O)CC1 ZINC001077622766 781368816 /nfs/dbraw/zinc/36/88/16/781368816.db2.gz ZXBBQRBPEVHCLC-IAGOWNOFSA-N 1 1 347.463 0.803 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2O)c1 ZINC001077648411 781422383 /nfs/dbraw/zinc/42/23/83/781422383.db2.gz JKCVFKSDKMHOHJ-HUUCEWRRSA-N 1 1 335.354 0.883 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041424359 781478169 /nfs/dbraw/zinc/47/81/69/781478169.db2.gz ZOHVVYHRNJMFGN-RDTXWAMCSA-N 1 1 343.431 0.494 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(N(C)c2cncc(C#N)n2)CC1 ZINC001068680907 790883283 /nfs/dbraw/zinc/88/32/83/790883283.db2.gz WUPKOGAITRWESG-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O ZINC001041430741 781493465 /nfs/dbraw/zinc/49/34/65/781493465.db2.gz YRHUXCVFZLELOH-RBSFLKMASA-N 1 1 347.394 0.242 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cnc4c(c3)nnn4C)C2)C1 ZINC001041476404 781590735 /nfs/dbraw/zinc/59/07/35/781590735.db2.gz QMAOOBBZCCDKCQ-SFHVURJKSA-N 1 1 338.415 0.925 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNc2cncc(C#N)n2)C1 ZINC001041478544 781595332 /nfs/dbraw/zinc/59/53/32/781595332.db2.gz BPNWLHONZDESDV-HUUCEWRRSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001077756557 781652019 /nfs/dbraw/zinc/65/20/19/781652019.db2.gz CHTBULLFGAHSOJ-IAGOWNOFSA-N 1 1 328.412 0.911 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001041505292 781653076 /nfs/dbraw/zinc/65/30/76/781653076.db2.gz KWVYHHHPHKKHNZ-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001041505295 781653550 /nfs/dbraw/zinc/65/35/50/781653550.db2.gz KWVYHHHPHKKHNZ-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001077765702 781664207 /nfs/dbraw/zinc/66/42/07/781664207.db2.gz ZPTOYCJVIPMUAY-CHWSQXEVSA-N 1 1 326.828 0.920 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001041514373 781675698 /nfs/dbraw/zinc/67/56/98/781675698.db2.gz GYFBXLZZVGNBNK-GOSISDBHSA-N 1 1 344.415 0.686 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001077792548 781705960 /nfs/dbraw/zinc/70/59/60/781705960.db2.gz NZCSYAVTLUMTLZ-ZIAGYGMSSA-N 1 1 332.404 0.801 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ccccc3C(N)=O)C2)C1 ZINC001041531808 781713421 /nfs/dbraw/zinc/71/34/21/781713421.db2.gz KHURQYIUQZNURS-LJQANCHMSA-N 1 1 325.412 0.886 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2O)nn1 ZINC001077801102 781722327 /nfs/dbraw/zinc/72/23/27/781722327.db2.gz CCMOUVOKUGNUFY-NVXWUHKLSA-N 1 1 341.415 0.748 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]2O)nn1 ZINC001077801102 781722331 /nfs/dbraw/zinc/72/23/31/781722331.db2.gz CCMOUVOKUGNUFY-NVXWUHKLSA-N 1 1 341.415 0.748 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)nn1 ZINC001077801180 781722441 /nfs/dbraw/zinc/72/24/41/781722441.db2.gz GPFRGJRGQHYCST-IIAWOOMASA-N 1 1 349.435 0.056 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001041545381 781740564 /nfs/dbraw/zinc/74/05/64/781740564.db2.gz VKTAECZDRXSDID-SCLBCKFNSA-N 1 1 333.432 0.928 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001041603690 781835260 /nfs/dbraw/zinc/83/52/60/781835260.db2.gz XQCAFDZKUVMSPG-KXBFYZLASA-N 1 1 341.459 0.868 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001077877024 781855245 /nfs/dbraw/zinc/85/52/45/781855245.db2.gz UTAOPXKKMJLSJM-ARFHVFGLSA-N 1 1 329.400 0.599 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC001077881457 781868399 /nfs/dbraw/zinc/86/83/99/781868399.db2.gz XZUOLSSUSHZLGG-HZPDHXFCSA-N 1 1 329.400 0.464 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001040726414 783335553 /nfs/dbraw/zinc/33/55/53/783335553.db2.gz DYCCKLBCGRAQHU-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001040729483 783340697 /nfs/dbraw/zinc/34/06/97/783340697.db2.gz QDUCFRLORKXTMF-YJBOKZPZSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)CC[N@H+](C)CC)C2)CCC1 ZINC001040059238 783461743 /nfs/dbraw/zinc/46/17/43/783461743.db2.gz GVZFJUHLNUEQPV-IBGZPJMESA-N 1 1 349.475 0.601 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040807136 783477091 /nfs/dbraw/zinc/47/70/91/783477091.db2.gz OJERNOJWYJXTRN-LPHOPBHVSA-N 1 1 349.475 0.764 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040813396 783489945 /nfs/dbraw/zinc/48/99/45/783489945.db2.gz QDTIHFYUVMYCOQ-QZTJIDSGSA-N 1 1 348.447 0.873 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@]2(O)CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001040850645 783558809 /nfs/dbraw/zinc/55/88/09/783558809.db2.gz ORIHVSKLRJPWLV-GOSISDBHSA-N 1 1 337.464 0.764 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2(CNC(=O)C#CC3CC3)CCOCC2)C1 ZINC001070172740 783592368 /nfs/dbraw/zinc/59/23/68/783592368.db2.gz LONUETGGXPRFMI-MRXNPFEDSA-N 1 1 347.459 0.523 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@@H]1n1ccnn1 ZINC001070260355 783758975 /nfs/dbraw/zinc/75/89/75/783758975.db2.gz FHBIHQDIIZAPAO-OCCSQVGLSA-N 1 1 349.826 0.728 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070332389 783840046 /nfs/dbraw/zinc/84/00/46/783840046.db2.gz BGHYOHBMVOOBHD-KFWWJZLASA-N 1 1 331.424 0.018 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccccc2C#N)C1 ZINC001038136217 783903885 /nfs/dbraw/zinc/90/38/85/783903885.db2.gz LCYMGNWYWYCNOU-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccccc2C#N)C1 ZINC001038136217 783903890 /nfs/dbraw/zinc/90/38/90/783903890.db2.gz LCYMGNWYWYCNOU-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2cccc(C#N)c2)C1 ZINC001038138640 783906560 /nfs/dbraw/zinc/90/65/60/783906560.db2.gz XHVYMASHVHJMMU-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2cccc(C#N)c2)C1 ZINC001038138640 783906566 /nfs/dbraw/zinc/90/65/66/783906566.db2.gz XHVYMASHVHJMMU-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H]2CCNC(=O)CC2)c1 ZINC001038140080 783910590 /nfs/dbraw/zinc/91/05/90/783910590.db2.gz NDAGGXLFYWVACK-JSGCOSHPSA-N 1 1 329.404 0.607 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001070394573 783954305 /nfs/dbraw/zinc/95/43/05/783954305.db2.gz LVZLARYPCIUVOQ-GFCCVEGCSA-N 1 1 340.387 0.648 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nnn(C)c2C)C1 ZINC001070400740 783970299 /nfs/dbraw/zinc/97/02/99/783970299.db2.gz CXKZKOHFMHFMNV-GFCCVEGCSA-N 1 1 329.408 0.752 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccnn2C)C1 ZINC001070401330 783971519 /nfs/dbraw/zinc/97/15/19/783971519.db2.gz MCGKIZREJQKPDR-CYBMUJFWSA-N 1 1 326.404 0.886 20 30 ECEDMO N#Cc1cc(C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCCO)C2)c[nH]1 ZINC001070403306 783978059 /nfs/dbraw/zinc/97/80/59/783978059.db2.gz PNEANMBXJJOOLP-LBPRGKRZSA-N 1 1 342.403 0.711 20 30 ECEDMO COCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001070403412 783979046 /nfs/dbraw/zinc/97/90/46/783979046.db2.gz RTFPSHGUJJPQAK-LBPRGKRZSA-N 1 1 342.403 0.975 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001070403372 783979764 /nfs/dbraw/zinc/97/97/64/783979764.db2.gz QYFCVWRIWMIAAN-ZBFHGGJFSA-N 1 1 345.447 0.169 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001070409473 783996101 /nfs/dbraw/zinc/99/61/01/783996101.db2.gz FJMBDARAWPGTKD-QWHCGFSZSA-N 1 1 331.420 0.480 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001070412893 784007258 /nfs/dbraw/zinc/00/72/58/784007258.db2.gz NKWFTHGRZPPYHY-IIAWOOMASA-N 1 1 347.463 0.720 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001070414622 784013936 /nfs/dbraw/zinc/01/39/36/784013936.db2.gz QVYCGEWTIYOMQV-HOCLYGCPSA-N 1 1 347.463 0.722 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 ZINC001070414970 784015902 /nfs/dbraw/zinc/01/59/02/784015902.db2.gz VVWMHUGHLVTCHW-DZGCQCFKSA-N 1 1 330.436 0.823 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001070420283 784029268 /nfs/dbraw/zinc/02/92/68/784029268.db2.gz VHFUBWLIXKCJMZ-TZMCWYRMSA-N 1 1 346.435 0.415 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001070426487 784043433 /nfs/dbraw/zinc/04/34/33/784043433.db2.gz VTIWQLKDCGNITO-RDBSUJKOSA-N 1 1 345.447 0.903 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnc(OC)nc2)C1 ZINC001070432921 784058873 /nfs/dbraw/zinc/05/88/73/784058873.db2.gz VCWWDDPTSJZPMY-LBPRGKRZSA-N 1 1 340.387 0.561 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001070434047 784062237 /nfs/dbraw/zinc/06/22/37/784062237.db2.gz LDLZITFJUGPRPK-HUUCEWRRSA-N 1 1 343.431 0.317 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cnn(C)c1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440806 784078856 /nfs/dbraw/zinc/07/88/56/784078856.db2.gz MQSZOXJQJZSNRK-CQSZACIVSA-N 1 1 341.419 0.574 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)CC1(O)CCC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442964 784087424 /nfs/dbraw/zinc/08/74/24/784087424.db2.gz UIPZHKLGTLQNGP-CQSZACIVSA-N 1 1 345.447 0.832 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](c2nnc(C)[nH]2)C2(C[NH+](CCO)C2)C1 ZINC001070449799 784107681 /nfs/dbraw/zinc/10/76/81/784107681.db2.gz WYLUTLIKRZECTD-ZDUSSCGKSA-N 1 1 333.436 0.545 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[N@@H+](CCO)C[C@H]43)C2)C1 ZINC001070919529 784114736 /nfs/dbraw/zinc/11/47/36/784114736.db2.gz MBZQEKBRYGIRFE-ZNMIVQPWSA-N 1 1 349.431 0.441 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[N@H+](CCO)C[C@H]43)C2)C1 ZINC001070919529 784114741 /nfs/dbraw/zinc/11/47/41/784114741.db2.gz MBZQEKBRYGIRFE-ZNMIVQPWSA-N 1 1 349.431 0.441 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)COC)C1 ZINC001070921543 784119129 /nfs/dbraw/zinc/11/91/29/784119129.db2.gz CKWHKLUURMUGDK-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)COC)C1 ZINC001070921543 784119135 /nfs/dbraw/zinc/11/91/35/784119135.db2.gz CKWHKLUURMUGDK-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1c1cn(C)cn1 ZINC001070495966 784191997 /nfs/dbraw/zinc/19/19/97/784191997.db2.gz QMBFBAHOALMHPB-XJKSGUPXSA-N 1 1 349.398 0.522 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CC2CCOCC2)CC1 ZINC001070948161 784196501 /nfs/dbraw/zinc/19/65/01/784196501.db2.gz BGFKKBXPKITDDI-AWEZNQCLSA-N 1 1 336.436 0.223 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC001070948442 784197365 /nfs/dbraw/zinc/19/73/65/784197365.db2.gz MKEOFWWIGXOIKO-LSDHHAIUSA-N 1 1 336.436 0.223 20 30 ECEDMO CO[C@H](C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955118 784216191 /nfs/dbraw/zinc/21/61/91/784216191.db2.gz LDHBMQHOWUMIOO-CYBMUJFWSA-N 1 1 347.419 0.185 20 30 ECEDMO CO[C@H](C)C[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955118 784216194 /nfs/dbraw/zinc/21/61/94/784216194.db2.gz LDHBMQHOWUMIOO-CYBMUJFWSA-N 1 1 347.419 0.185 20 30 ECEDMO CCCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956727 784223333 /nfs/dbraw/zinc/22/33/33/784223333.db2.gz ZWWUHZZVHVFJRM-UHFFFAOYSA-N 1 1 331.420 0.951 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070526584 784231262 /nfs/dbraw/zinc/23/12/62/784231262.db2.gz RMHMTKOMXSRDLH-NBOOPKSLSA-N 1 1 343.475 0.668 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070526584 784231266 /nfs/dbraw/zinc/23/12/66/784231266.db2.gz RMHMTKOMXSRDLH-NBOOPKSLSA-N 1 1 343.475 0.668 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2nccc(C)n2)CC1 ZINC001070959775 784232542 /nfs/dbraw/zinc/23/25/42/784232542.db2.gz HJCJVDLZMIVKQC-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2nccc(C)n2)CC1 ZINC001070959775 784232548 /nfs/dbraw/zinc/23/25/48/784232548.db2.gz HJCJVDLZMIVKQC-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2nnc(C)[nH]2)CC1 ZINC001070961052 784236816 /nfs/dbraw/zinc/23/68/16/784236816.db2.gz KKCJXDHLCOWLAB-UHFFFAOYSA-N 1 1 348.451 0.272 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001070963294 784243125 /nfs/dbraw/zinc/24/31/25/784243125.db2.gz KMIGDTLYZJIQNC-IAGOWNOFSA-N 1 1 348.491 0.697 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001070963526 784244615 /nfs/dbraw/zinc/24/46/15/784244615.db2.gz VGXHGIHMLWYGBJ-QGZVFWFLSA-N 1 1 348.491 0.533 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)ncn2)CC1 ZINC001070964753 784249195 /nfs/dbraw/zinc/24/91/95/784249195.db2.gz XZODBJDWYKIXBG-UHFFFAOYSA-N 1 1 347.419 0.325 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)ncn2)CC1 ZINC001070964753 784249199 /nfs/dbraw/zinc/24/91/99/784249199.db2.gz XZODBJDWYKIXBG-UHFFFAOYSA-N 1 1 347.419 0.325 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001070969475 784266013 /nfs/dbraw/zinc/26/60/13/784266013.db2.gz STVNKSDKHYXUTL-FUHWJXTLSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001070969475 784266017 /nfs/dbraw/zinc/26/60/17/784266017.db2.gz STVNKSDKHYXUTL-FUHWJXTLSA-N 1 1 349.475 0.721 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cn2cncc2C)CC1 ZINC001070979859 784305044 /nfs/dbraw/zinc/30/50/44/784305044.db2.gz BOUYEKLRVYFCKS-UHFFFAOYSA-N 1 1 347.463 0.808 20 30 ECEDMO CC(C)(C)C#CC(=O)N[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001070986089 784327519 /nfs/dbraw/zinc/32/75/19/784327519.db2.gz ABZSYSKYZSIWRC-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnoc2)CC1 ZINC001070991474 784341112 /nfs/dbraw/zinc/34/11/12/784341112.db2.gz UPSASWXHBFHIRS-UHFFFAOYSA-N 1 1 334.420 0.834 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC001070993507 784349566 /nfs/dbraw/zinc/34/95/66/784349566.db2.gz CWBPSHWGILRFGE-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC001070993507 784349574 /nfs/dbraw/zinc/34/95/74/784349574.db2.gz CWBPSHWGILRFGE-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CC2=CCOCC2)CC1 ZINC001070996131 784355832 /nfs/dbraw/zinc/35/58/32/784355832.db2.gz IRIPBUNDHJZRFP-UHFFFAOYSA-N 1 1 335.448 0.950 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ncccn2)CC1 ZINC001071009176 784397741 /nfs/dbraw/zinc/39/77/41/784397741.db2.gz DCBYTYXKQUVWGI-UHFFFAOYSA-N 1 1 345.447 0.636 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071015669 784422309 /nfs/dbraw/zinc/42/23/09/784422309.db2.gz OSEQAIBBKFYGIW-INIZCTEOSA-N 1 1 336.480 0.555 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@@H](CC)C2)CC1 ZINC001071015806 784423739 /nfs/dbraw/zinc/42/37/39/784423739.db2.gz UQNIUDZRTAZEMC-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@@H](CC)C2)CC1 ZINC001071015806 784423742 /nfs/dbraw/zinc/42/37/42/784423742.db2.gz UQNIUDZRTAZEMC-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2cnoc2)n1 ZINC001070605176 784425859 /nfs/dbraw/zinc/42/58/59/784425859.db2.gz FNIKOLUAORFRPL-LSDHHAIUSA-N 1 1 343.387 0.775 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@]2(C)CCOC2)n1 ZINC001070605658 784426582 /nfs/dbraw/zinc/42/65/82/784426582.db2.gz VKCOSXGCOJEIRI-DAYGRLMNSA-N 1 1 346.431 0.971 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cncn2C)CC1 ZINC001071018293 784431426 /nfs/dbraw/zinc/43/14/26/784431426.db2.gz KMRURQMIEOPRLW-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC001071024364 784450957 /nfs/dbraw/zinc/45/09/57/784450957.db2.gz QNTAMLHIAFFCBB-BKPSIGNASA-N 1 1 343.471 0.952 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC001071024364 784450964 /nfs/dbraw/zinc/45/09/64/784450964.db2.gz QNTAMLHIAFFCBB-BKPSIGNASA-N 1 1 343.471 0.952 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cncn1C ZINC001070663261 784520876 /nfs/dbraw/zinc/52/08/76/784520876.db2.gz VUXDATUTTDFQGW-ZYHUDNBSSA-N 1 1 335.799 0.489 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H](NCC#N)C2)CC[N@H+]1C ZINC001070682359 784546500 /nfs/dbraw/zinc/54/65/00/784546500.db2.gz XLXBWGIEZFCQEF-CAOSSQGBSA-N 1 1 344.463 0.558 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001070703231 784570420 /nfs/dbraw/zinc/57/04/20/784570420.db2.gz LIPKYYMHMDMPHI-MRXNPFEDSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)C[C@@H](C)O2 ZINC001071136658 784582294 /nfs/dbraw/zinc/58/22/94/784582294.db2.gz NJGOGCURPDPBAB-NVXWUHKLSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cncn1)C[C@@H](C)O2 ZINC001071136192 784582350 /nfs/dbraw/zinc/58/23/50/784582350.db2.gz FZXZCKXLSVFVSO-WBVHZDCISA-N 1 1 333.436 0.936 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001070730420 784616225 /nfs/dbraw/zinc/61/62/25/784616225.db2.gz GKMBCBGJKMCPCP-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC1OCCCO1)C[C@H](C)O2 ZINC001071161155 784631112 /nfs/dbraw/zinc/63/11/12/784631112.db2.gz FMJGAYRHLUBCFD-MAUKXSAKSA-N 1 1 336.432 0.855 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccn(C)n1)C[C@@H](C)O2 ZINC001071166535 784641712 /nfs/dbraw/zinc/64/17/12/784641712.db2.gz JSFYJDIHFKGUSI-CRAIPNDOSA-N 1 1 330.432 0.678 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CS(=O)(=O)C1)C[C@H](C)O2 ZINC001071168953 784646793 /nfs/dbraw/zinc/64/67/93/784646793.db2.gz KEDQRRJBJIJTDI-XJKSGUPXSA-N 1 1 342.461 0.299 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@@H](C)O2 ZINC001071169362 784647797 /nfs/dbraw/zinc/64/77/97/784647797.db2.gz PRRZWTPLIGGPIY-CXAGYDPISA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccccc1=O)C[C@@H](C)O2 ZINC001071171119 784652405 /nfs/dbraw/zinc/65/24/05/784652405.db2.gz ILUHJXDKOWZCGL-VQIMIIECSA-N 1 1 343.427 0.563 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc3nc[nH]c31)C[C@H](C)O2 ZINC001071170963 784652766 /nfs/dbraw/zinc/65/27/66/784652766.db2.gz FMKVBFJLLNGYHS-UGSOOPFHSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1ccnn1C)C[C@H](C)O2 ZINC001071174296 784661050 /nfs/dbraw/zinc/66/10/50/784661050.db2.gz WBEHKTXVVAFBQY-MAUKXSAKSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1ccnn1C)C[C@@H](C)O2 ZINC001071174295 784661453 /nfs/dbraw/zinc/66/14/53/784661453.db2.gz WBEHKTXVVAFBQY-CRAIPNDOSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OCC)n[nH]1)C[C@H](C)O2 ZINC001071177769 784669671 /nfs/dbraw/zinc/66/96/71/784669671.db2.gz GDOIYLPMWNWOMG-SUMWQHHRSA-N 1 1 332.404 0.747 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(C)nc1C)C[C@@H](C)O2 ZINC001071178447 784672724 /nfs/dbraw/zinc/67/27/24/784672724.db2.gz PNWPVGZTIBPHIZ-KDOFPFPSSA-N 1 1 330.432 0.596 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnn1CCOC)C[C@H](C)O2 ZINC001071181659 784680236 /nfs/dbraw/zinc/68/02/36/784680236.db2.gz ZFWXQKAFJQKXJJ-YJBOKZPZSA-N 1 1 346.431 0.468 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@H](C)O2 ZINC001071183150 784682309 /nfs/dbraw/zinc/68/23/09/784682309.db2.gz KBXQUCQXSOWKMG-KSSFIOAISA-N 1 1 329.400 0.324 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@H](C)O2 ZINC001071183436 784684021 /nfs/dbraw/zinc/68/40/21/784684021.db2.gz OAUTWROIWZFBFF-KBXCAEBGSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@H](C)O2 ZINC001071185840 784689196 /nfs/dbraw/zinc/68/91/96/784689196.db2.gz MPUYHGPQRLMSDL-MAUKXSAKSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@H](C)O2 ZINC001071189002 784692843 /nfs/dbraw/zinc/69/28/43/784692843.db2.gz DOSDKWPKKLIIGG-UGSOOPFHSA-N 1 1 345.399 0.707 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@H](C)O2 ZINC001071193029 784705973 /nfs/dbraw/zinc/70/59/73/784705973.db2.gz VKYMHVKHLABUTI-SUMWQHHRSA-N 1 1 332.404 0.272 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cncnc1)C[C@@H](C)O2 ZINC001071193072 784706403 /nfs/dbraw/zinc/70/64/03/784706403.db2.gz WCDYZJFQUVJLRY-QAPCUYQASA-N 1 1 328.416 0.734 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)C1 ZINC001070811307 784707381 /nfs/dbraw/zinc/70/73/81/784707381.db2.gz LPEWHJCQLNEVNP-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)C1 ZINC001070811307 784707388 /nfs/dbraw/zinc/70/73/88/784707388.db2.gz LPEWHJCQLNEVNP-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn3nnnc3c1)C[C@@H](C)O2 ZINC001071200381 784721563 /nfs/dbraw/zinc/72/15/63/784721563.db2.gz WCYGXGMCJGYFMO-CXAGYDPISA-N 1 1 342.403 0.616 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccn3nnnc3c1)C[C@@H](C)O2 ZINC001071200382 784721610 /nfs/dbraw/zinc/72/16/10/784721610.db2.gz WCYGXGMCJGYFMO-DYVFJYSZSA-N 1 1 342.403 0.616 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001071207202 784738178 /nfs/dbraw/zinc/73/81/78/784738178.db2.gz WQNGXVXAKNILOE-SCLBCKFNSA-N 1 1 342.399 0.235 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@H](C)O2 ZINC001071209329 784741047 /nfs/dbraw/zinc/74/10/47/784741047.db2.gz IDJYPUORYHBOEN-SJCJKPOMSA-N 1 1 333.388 0.870 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001070865045 784766695 /nfs/dbraw/zinc/76/66/95/784766695.db2.gz DTXHAXRRWAJDBB-CQSZACIVSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1ncccn1)C[C@H](C)O2 ZINC001071220137 784768107 /nfs/dbraw/zinc/76/81/07/784768107.db2.gz DKEGNQDRSGZOPO-MAUKXSAKSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)C[C@H](C)O2 ZINC001071223626 784776951 /nfs/dbraw/zinc/77/69/51/784776951.db2.gz RHGHFYLISYTPPY-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)C[C@H](C)O2 ZINC001071223626 784776957 /nfs/dbraw/zinc/77/69/57/784776957.db2.gz RHGHFYLISYTPPY-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@@H](C)O2 ZINC001071233839 784798819 /nfs/dbraw/zinc/79/88/19/784798819.db2.gz OHKWQYDDGHKIHI-RDTXWAMCSA-N 1 1 346.431 0.757 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(=O)Nc1cc(C)on1)C[C@@H](C)O2 ZINC001071237600 784805916 /nfs/dbraw/zinc/80/59/16/784805916.db2.gz AGDTZJLGMUOLCB-CXAGYDPISA-N 1 1 348.403 0.799 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1C(=O)CCC1=O)C[C@@H](C)O2 ZINC001071239121 784810432 /nfs/dbraw/zinc/81/04/32/784810432.db2.gz WNHITXKOEWTHSZ-DYVFJYSZSA-N 1 1 335.404 0.013 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@H](C)O2 ZINC001071243859 784820860 /nfs/dbraw/zinc/82/08/60/784820860.db2.gz MEKGULGFMMZNQL-MAUKXSAKSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCN1CC[C@]2(C1)CN(C(=O)C1CC[NH+](CC#C)CC1)C[C@@H](C)O2 ZINC001071244284 784822087 /nfs/dbraw/zinc/82/20/87/784822087.db2.gz SKSKRVRXMJBJAQ-XLIONFOSSA-N 1 1 343.471 0.657 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@H](C)O2 ZINC001071244531 784822334 /nfs/dbraw/zinc/82/23/34/784822334.db2.gz WOZOICVJYZSUDN-MAUKXSAKSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc(C)cn1)C[C@@H](C)O2 ZINC001071244030 784822886 /nfs/dbraw/zinc/82/28/86/784822886.db2.gz ONELCDANCFKXLZ-AEFFLSMTSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)C(=O)C1 ZINC001071256910 784857431 /nfs/dbraw/zinc/85/74/31/784857431.db2.gz LOOKYVAINSFUCE-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)C(=O)C1 ZINC001071256910 784857435 /nfs/dbraw/zinc/85/74/35/784857435.db2.gz LOOKYVAINSFUCE-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)C(=O)C1 ZINC001071264324 784884410 /nfs/dbraw/zinc/88/44/10/784884410.db2.gz TVYOJYHGWMKJRM-CQSZACIVSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)C(=O)C1 ZINC001071264324 784884417 /nfs/dbraw/zinc/88/44/17/784884417.db2.gz TVYOJYHGWMKJRM-CQSZACIVSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265665 784888870 /nfs/dbraw/zinc/88/88/70/784888870.db2.gz PPIJAQNGYKEXAR-BRWVUGGUSA-N 1 1 348.491 0.648 20 30 ECEDMO C=C(C)CC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 ZINC001071275336 784915079 /nfs/dbraw/zinc/91/50/79/784915079.db2.gz CUHUZQYJIVYADI-AWEZNQCLSA-N 1 1 346.435 0.520 20 30 ECEDMO C=C(C)CC[N@H+]1CCN([C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 ZINC001071275336 784915084 /nfs/dbraw/zinc/91/50/84/784915084.db2.gz CUHUZQYJIVYADI-AWEZNQCLSA-N 1 1 346.435 0.520 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C(=O)C1 ZINC001071276952 784921740 /nfs/dbraw/zinc/92/17/40/784921740.db2.gz FZCTZFZWGCWOMY-MRXNPFEDSA-N 1 1 345.447 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)CCC=C)CO2 ZINC001068750822 791066983 /nfs/dbraw/zinc/06/69/83/791066983.db2.gz IYFWBJSJKJHOSJ-CVEARBPZSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)CCC=C)CO2 ZINC001068750822 791066997 /nfs/dbraw/zinc/06/69/97/791066997.db2.gz IYFWBJSJKJHOSJ-CVEARBPZSA-N 1 1 345.443 0.536 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CCN1CCNC1=O ZINC001071438374 785088191 /nfs/dbraw/zinc/08/81/91/785088191.db2.gz OKMGQYBHALGJEZ-TZMCWYRMSA-N 1 1 344.419 0.494 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C2)c1 ZINC001071813717 785144979 /nfs/dbraw/zinc/14/49/79/785144979.db2.gz DQTQVGKQAOGIGY-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)N(C)C)C2)c1 ZINC001071813717 785144981 /nfs/dbraw/zinc/14/49/81/785144981.db2.gz DQTQVGKQAOGIGY-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC[C@@H]1C ZINC001071509189 785216314 /nfs/dbraw/zinc/21/63/14/785216314.db2.gz ZIZRRJGLQQXCRW-UONOGXRCSA-N 1 1 333.432 0.764 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001068763875 791096223 /nfs/dbraw/zinc/09/62/23/791096223.db2.gz DSGCPSBJMOJPME-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@@H]1C ZINC001071889721 785275864 /nfs/dbraw/zinc/27/58/64/785275864.db2.gz BWRKWMOYEYPFEX-GJZGRUSLSA-N 1 1 346.435 0.171 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@H]1C ZINC001071968521 785437276 /nfs/dbraw/zinc/43/72/76/785437276.db2.gz VYKLZTVDFRRRRN-HUUCEWRRSA-N 1 1 345.447 0.374 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071660918 785469976 /nfs/dbraw/zinc/46/99/76/785469976.db2.gz CTYDCQHOTOTMAF-ZIAGYGMSSA-N 1 1 340.493 0.938 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)CC[C@@H]1C ZINC001072001522 785506291 /nfs/dbraw/zinc/50/62/91/785506291.db2.gz DSEXIONELFDOIK-AAEUAGOBSA-N 1 1 325.368 0.786 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)CC[C@@H]1C ZINC001072001522 785506297 /nfs/dbraw/zinc/50/62/97/785506297.db2.gz DSEXIONELFDOIK-AAEUAGOBSA-N 1 1 325.368 0.786 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001072389472 786121486 /nfs/dbraw/zinc/12/14/86/786121486.db2.gz CVLDZZWLCZCLMM-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001072389470 786121532 /nfs/dbraw/zinc/12/15/32/786121532.db2.gz CVLDZZWLCZCLMM-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](C)C1 ZINC001072479208 786247010 /nfs/dbraw/zinc/24/70/10/786247010.db2.gz UFMUIBLSDFRUKB-WFASDCNBSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H](CC)OC)C3)C2)C1=O ZINC001072533270 786336220 /nfs/dbraw/zinc/33/62/20/786336220.db2.gz KXOPBGGCUQVDRV-LSDHHAIUSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3N)C[C@H]21 ZINC001074223177 786461601 /nfs/dbraw/zinc/46/16/01/786461601.db2.gz VETFEQKMDAOJPK-HUUCEWRRSA-N 1 1 333.436 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3N)C[C@H]21 ZINC001074223177 786461605 /nfs/dbraw/zinc/46/16/05/786461605.db2.gz VETFEQKMDAOJPK-HUUCEWRRSA-N 1 1 333.436 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 ZINC001074224915 786463325 /nfs/dbraw/zinc/46/33/25/786463325.db2.gz AJMHBARHWNLFPU-DLBZAZTESA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 ZINC001074224915 786463330 /nfs/dbraw/zinc/46/33/30/786463330.db2.gz AJMHBARHWNLFPU-DLBZAZTESA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 ZINC001074226034 786464636 /nfs/dbraw/zinc/46/46/36/786464636.db2.gz JSSCHTQPDBVZFZ-JKSUJKDBSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 ZINC001074226034 786464639 /nfs/dbraw/zinc/46/46/39/786464639.db2.gz JSSCHTQPDBVZFZ-JKSUJKDBSA-N 1 1 333.436 0.936 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@@H]21 ZINC001074232590 786472820 /nfs/dbraw/zinc/47/28/20/786472820.db2.gz CBSYCWKPWOUUBD-JKSUJKDBSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@@H]21 ZINC001074232590 786472824 /nfs/dbraw/zinc/47/28/24/786472824.db2.gz CBSYCWKPWOUUBD-JKSUJKDBSA-N 1 1 349.435 0.416 20 30 ECEDMO CC#CCN1CCO[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001074281185 786580899 /nfs/dbraw/zinc/58/08/99/786580899.db2.gz FKFKDQZRWRZLKG-SJORKVTESA-N 1 1 346.431 0.675 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)[nH]1 ZINC001073573979 786653357 /nfs/dbraw/zinc/65/33/57/786653357.db2.gz GEAKPRFGMKFVPZ-UKRRQHHQSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)[nH]1 ZINC001073573977 786653404 /nfs/dbraw/zinc/65/34/04/786653404.db2.gz GEAKPRFGMKFVPZ-DZGCQCFKSA-N 1 1 332.404 0.744 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001073603441 786753538 /nfs/dbraw/zinc/75/35/38/786753538.db2.gz GYAYMBGAUPAWEW-HOCLYGCPSA-N 1 1 348.447 0.853 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001073603441 786753541 /nfs/dbraw/zinc/75/35/41/786753541.db2.gz GYAYMBGAUPAWEW-HOCLYGCPSA-N 1 1 348.447 0.853 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001073604118 786756782 /nfs/dbraw/zinc/75/67/82/786756782.db2.gz XROCBIHQRGQOOF-CQSZACIVSA-N 1 1 331.420 0.387 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOC)CCCO1 ZINC001073608606 786763710 /nfs/dbraw/zinc/76/37/10/786763710.db2.gz WKJOGFWEEGZKNZ-OAGGEKHMSA-N 1 1 326.437 0.821 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001073617696 786780330 /nfs/dbraw/zinc/78/03/30/786780330.db2.gz KJGJOILZPMPABR-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001073617696 786780332 /nfs/dbraw/zinc/78/03/32/786780332.db2.gz KJGJOILZPMPABR-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC001073620469 786785694 /nfs/dbraw/zinc/78/56/94/786785694.db2.gz FYINKVKDJJNAEP-CYBMUJFWSA-N 1 1 327.388 0.802 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625201 786797249 /nfs/dbraw/zinc/79/72/49/786797249.db2.gz CDQSBGJJEXZYGB-HZPDHXFCSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625201 786797253 /nfs/dbraw/zinc/79/72/53/786797253.db2.gz CDQSBGJJEXZYGB-HZPDHXFCSA-N 1 1 335.448 0.331 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001073630225 786813333 /nfs/dbraw/zinc/81/33/33/786813333.db2.gz PUPINKLHLXNONG-HNNXBMFYSA-N 1 1 342.403 0.669 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073629987 786813621 /nfs/dbraw/zinc/81/36/21/786813621.db2.gz KHADOFKWROFULL-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001073630310 786815459 /nfs/dbraw/zinc/81/54/59/786815459.db2.gz ROIXNJOYCLGVOD-OAHLLOKOSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001073630310 786815468 /nfs/dbraw/zinc/81/54/68/786815468.db2.gz ROIXNJOYCLGVOD-OAHLLOKOSA-N 1 1 340.387 0.116 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 ZINC001074401150 786859904 /nfs/dbraw/zinc/85/99/04/786859904.db2.gz YZTNZWIWDJMITE-GJZGRUSLSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 ZINC001074401150 786859913 /nfs/dbraw/zinc/85/99/13/786859913.db2.gz YZTNZWIWDJMITE-GJZGRUSLSA-N 1 1 332.404 0.272 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001073648790 786868899 /nfs/dbraw/zinc/86/88/99/786868899.db2.gz CKUXTHPEUXDWGQ-OAHLLOKOSA-N 1 1 331.416 0.538 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001073651713 786873998 /nfs/dbraw/zinc/87/39/98/786873998.db2.gz DFKFLUSOLFXXDY-CYBMUJFWSA-N 1 1 330.392 0.439 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]21 ZINC001074418042 786920907 /nfs/dbraw/zinc/92/09/07/786920907.db2.gz YMMRTRGSWXZCAO-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]21 ZINC001074418042 786920913 /nfs/dbraw/zinc/92/09/13/786920913.db2.gz YMMRTRGSWXZCAO-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn3cccnc3n2)C1 ZINC001073674743 786940450 /nfs/dbraw/zinc/94/04/50/786940450.db2.gz MLFASSKIQXZCOG-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3cccnc3n2)C1 ZINC001073674743 786940453 /nfs/dbraw/zinc/94/04/53/786940453.db2.gz MLFASSKIQXZCOG-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CCN1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700513 786999844 /nfs/dbraw/zinc/99/98/44/786999844.db2.gz OGMSMPDVMMTZOI-VZDIDWBNSA-N 1 1 347.459 0.080 20 30 ECEDMO CC#CCN1CCCO[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700513 786999848 /nfs/dbraw/zinc/99/98/48/786999848.db2.gz OGMSMPDVMMTZOI-VZDIDWBNSA-N 1 1 347.459 0.080 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001073722620 787057067 /nfs/dbraw/zinc/05/70/67/787057067.db2.gz NDRDNUDWTPEUHF-UONOGXRCSA-N 1 1 333.388 0.980 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001073722620 787057079 /nfs/dbraw/zinc/05/70/79/787057079.db2.gz NDRDNUDWTPEUHF-UONOGXRCSA-N 1 1 333.388 0.980 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001073724678 787065340 /nfs/dbraw/zinc/06/53/40/787065340.db2.gz ZOWLQSKTOWELLD-INIZCTEOSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001073724678 787065347 /nfs/dbraw/zinc/06/53/47/787065347.db2.gz ZOWLQSKTOWELLD-INIZCTEOSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001073726538 787068522 /nfs/dbraw/zinc/06/85/22/787068522.db2.gz OBHQCSNMUNULSC-HNNXBMFYSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001073741550 787096975 /nfs/dbraw/zinc/09/69/75/787096975.db2.gz VRNLVAKUNGVTKY-GDBMZVCRSA-N 1 1 330.432 0.365 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001073741550 787096983 /nfs/dbraw/zinc/09/69/83/787096983.db2.gz VRNLVAKUNGVTKY-GDBMZVCRSA-N 1 1 330.432 0.365 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001073745618 787109822 /nfs/dbraw/zinc/10/98/22/787109822.db2.gz CVFBMBVNEXEPON-UONOGXRCSA-N 1 1 333.436 0.313 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001074510601 787129200 /nfs/dbraw/zinc/12/92/00/787129200.db2.gz KKXUWRWPJRLIGQ-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001073764629 787157638 /nfs/dbraw/zinc/15/76/38/787157638.db2.gz IXQCICWISFQTCX-WBVHZDCISA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001073764629 787157640 /nfs/dbraw/zinc/15/76/40/787157640.db2.gz IXQCICWISFQTCX-WBVHZDCISA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001073785670 787196395 /nfs/dbraw/zinc/19/63/95/787196395.db2.gz PHVDXFKXIKGKQW-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001073785670 787196399 /nfs/dbraw/zinc/19/63/99/787196399.db2.gz PHVDXFKXIKGKQW-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001073804465 787234739 /nfs/dbraw/zinc/23/47/39/787234739.db2.gz NEAYJBDMIJPPEC-AWEZNQCLSA-N 1 1 344.415 0.904 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[N@@H+]([C@@H](C)COC)CCCO2)nn1 ZINC001073807070 787237597 /nfs/dbraw/zinc/23/75/97/787237597.db2.gz FAZZGTFZMCSYOQ-KBPBESRZSA-N 1 1 337.424 0.320 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[N@@H+]([C@H](C)COC)CCCO2)nn1 ZINC001073807071 787237641 /nfs/dbraw/zinc/23/76/41/787237641.db2.gz FAZZGTFZMCSYOQ-KGLIPLIRSA-N 1 1 337.424 0.320 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnn2C2CCOCC2)C1 ZINC001073807551 787238748 /nfs/dbraw/zinc/23/87/48/787238748.db2.gz SMQULOGXBIGXBW-MRXNPFEDSA-N 1 1 346.431 0.689 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnn2C2CCOCC2)C1 ZINC001073807551 787238751 /nfs/dbraw/zinc/23/87/51/787238751.db2.gz SMQULOGXBIGXBW-MRXNPFEDSA-N 1 1 346.431 0.689 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001073815885 787250027 /nfs/dbraw/zinc/25/00/27/787250027.db2.gz NVGVENLKBSWHSM-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001073815885 787250032 /nfs/dbraw/zinc/25/00/32/787250032.db2.gz NVGVENLKBSWHSM-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001073815952 787251987 /nfs/dbraw/zinc/25/19/87/787251987.db2.gz QEXPXFGRPQJCHJ-IXDOHACOSA-N 1 1 348.447 0.681 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001074579299 787309368 /nfs/dbraw/zinc/30/93/68/787309368.db2.gz BMXDOSQZDQLDPZ-JKSUJKDBSA-N 1 1 349.475 0.313 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3cncn3)n2)C1 ZINC001073837816 787318347 /nfs/dbraw/zinc/31/83/47/787318347.db2.gz VCMACAORZCAZGH-CQSZACIVSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3cncn3)n2)C1 ZINC001073837816 787318356 /nfs/dbraw/zinc/31/83/56/787318356.db2.gz VCMACAORZCAZGH-CQSZACIVSA-N 1 1 340.387 0.116 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073851282 787361154 /nfs/dbraw/zinc/36/11/54/787361154.db2.gz ZXRWRJYBWBVMIR-CQSZACIVSA-N 1 1 335.404 0.459 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001073853634 787365526 /nfs/dbraw/zinc/36/55/26/787365526.db2.gz KPAQODZFQKTBQA-CQSZACIVSA-N 1 1 345.399 0.314 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001073853634 787365537 /nfs/dbraw/zinc/36/55/37/787365537.db2.gz KPAQODZFQKTBQA-CQSZACIVSA-N 1 1 345.399 0.314 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001073856627 787373619 /nfs/dbraw/zinc/37/36/19/787373619.db2.gz KXGGCRVKODTZSV-CQSZACIVSA-N 1 1 344.419 0.830 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001073856626 787374769 /nfs/dbraw/zinc/37/47/69/787374769.db2.gz KXGGCRVKODTZSV-AWEZNQCLSA-N 1 1 344.419 0.830 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001073862699 787391121 /nfs/dbraw/zinc/39/11/21/787391121.db2.gz WQUOJTXCURQLMN-QGZVFWFLSA-N 1 1 343.427 0.842 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001073862699 787391135 /nfs/dbraw/zinc/39/11/35/787391135.db2.gz WQUOJTXCURQLMN-QGZVFWFLSA-N 1 1 343.427 0.842 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001073872596 787412528 /nfs/dbraw/zinc/41/25/28/787412528.db2.gz UQRPYALKJNRYNR-HOTGVXAUSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccccc2-n2cnnn2)C1 ZINC001073883047 787428449 /nfs/dbraw/zinc/42/84/49/787428449.db2.gz AWOFMIKPXUJRLD-CQSZACIVSA-N 1 1 342.403 0.669 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccccc2-n2cnnn2)C1 ZINC001073883046 787428802 /nfs/dbraw/zinc/42/88/02/787428802.db2.gz AWOFMIKPXUJRLD-AWEZNQCLSA-N 1 1 342.403 0.669 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001073892182 787454486 /nfs/dbraw/zinc/45/44/86/787454486.db2.gz XSNYCWKPFKRSLE-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001073892182 787454491 /nfs/dbraw/zinc/45/44/91/787454491.db2.gz XSNYCWKPFKRSLE-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001073896360 787465928 /nfs/dbraw/zinc/46/59/28/787465928.db2.gz QJOXVKJYXLFTEX-HZPDHXFCSA-N 1 1 325.453 0.490 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001073901916 787483252 /nfs/dbraw/zinc/48/32/52/787483252.db2.gz KASQAVOLMXYDMO-AWEZNQCLSA-N 1 1 342.399 0.733 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001073901916 787483259 /nfs/dbraw/zinc/48/32/59/787483259.db2.gz KASQAVOLMXYDMO-AWEZNQCLSA-N 1 1 342.399 0.733 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001074643643 787486084 /nfs/dbraw/zinc/48/60/84/787486084.db2.gz UUCTZCBNYZICLC-UHFFFAOYSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074646321 787493601 /nfs/dbraw/zinc/49/36/01/787493601.db2.gz SIOFMYRHKUQULJ-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001073911624 787509343 /nfs/dbraw/zinc/50/93/43/787509343.db2.gz WSYVCZMYVKJOJV-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001073911624 787509347 /nfs/dbraw/zinc/50/93/47/787509347.db2.gz WSYVCZMYVKJOJV-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO CC#CCCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001074680876 787579068 /nfs/dbraw/zinc/57/90/68/787579068.db2.gz GXRUBXOXWWNODX-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@@H+](C[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1)[C@H]1CCNC1=O ZINC001073995185 787643336 /nfs/dbraw/zinc/64/33/36/787643336.db2.gz FEQLBYBLZJNVPE-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCCCN2C(=O)c2cn[nH]n2)C1=O ZINC001074031836 787726649 /nfs/dbraw/zinc/72/66/49/787726649.db2.gz SZAFYSQQQQDOQO-HIFRSBDPSA-N 1 1 346.435 0.518 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072645030 788494777 /nfs/dbraw/zinc/49/47/77/788494777.db2.gz XSXIZMWENNUIKI-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001072686552 788591473 /nfs/dbraw/zinc/59/14/73/788591473.db2.gz PNFTVOIEDPFDKP-OAHLLOKOSA-N 1 1 340.383 0.701 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001072686552 788591482 /nfs/dbraw/zinc/59/14/82/788591482.db2.gz PNFTVOIEDPFDKP-OAHLLOKOSA-N 1 1 340.383 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C1=O ZINC001072721401 788648121 /nfs/dbraw/zinc/64/81/21/788648121.db2.gz QJOFMYUQEYHGEG-MRXNPFEDSA-N 1 1 327.428 0.721 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC001072732491 788664687 /nfs/dbraw/zinc/66/46/87/788664687.db2.gz MKWDRWMIFLAINM-AWEZNQCLSA-N 1 1 343.431 0.873 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C#CC1CC1 ZINC001075067284 788842647 /nfs/dbraw/zinc/84/26/47/788842647.db2.gz NHBFPHNDFJNNGV-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO N#CCN1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C2)C1 ZINC001072812286 788863125 /nfs/dbraw/zinc/86/31/25/788863125.db2.gz ZNXONGHZNWAHOZ-INIZCTEOSA-N 1 1 332.448 0.688 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC001072822321 788890138 /nfs/dbraw/zinc/89/01/38/788890138.db2.gz AJHWHJDFUBFMQY-IRXDYDNUSA-N 1 1 331.460 0.655 20 30 ECEDMO C#CC[N@H+]1CCC2(CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C2)C1 ZINC001072900822 789070703 /nfs/dbraw/zinc/07/07/03/789070703.db2.gz IQHJSXNYHGAWBL-UHFFFAOYSA-N 1 1 330.432 0.542 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C2)C1 ZINC001072900822 789070711 /nfs/dbraw/zinc/07/07/11/789070711.db2.gz IQHJSXNYHGAWBL-UHFFFAOYSA-N 1 1 330.432 0.542 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@@H+](Cc2cnnn2C)C3)c1 ZINC001072968232 789180199 /nfs/dbraw/zinc/18/01/99/789180199.db2.gz BHJHAIKMUDINNZ-UHFFFAOYSA-N 1 1 336.399 0.540 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+](Cc2cnnn2C)C3)c1 ZINC001072968232 789180203 /nfs/dbraw/zinc/18/02/03/789180203.db2.gz BHJHAIKMUDINNZ-UHFFFAOYSA-N 1 1 336.399 0.540 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCN1CCNC1=O)C2 ZINC001072996249 789248530 /nfs/dbraw/zinc/24/85/30/789248530.db2.gz WDKCRMIQIZIHHH-CABCVRRESA-N 1 1 348.447 0.137 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cc(C)c(C(N)=O)cn3)C2)C1 ZINC001072999820 789255499 /nfs/dbraw/zinc/25/54/99/789255499.db2.gz SOHWIAMKYUNVIK-UHFFFAOYSA-N 1 1 326.400 0.660 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001073052150 789349858 /nfs/dbraw/zinc/34/98/58/789349858.db2.gz FYHUBTLOMFDMAU-XHSDSOJGSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3csc(-c4nc[nH]n4)n3)C2)C1 ZINC001073054919 789357892 /nfs/dbraw/zinc/35/78/92/789357892.db2.gz PCWFEYVKAKJXJP-UHFFFAOYSA-N 1 1 328.401 0.709 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C2)C1 ZINC001073058257 789366657 /nfs/dbraw/zinc/36/66/57/789366657.db2.gz GEJHEOCXFNVQAZ-UHFFFAOYSA-N 1 1 339.399 0.502 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001073158415 789549749 /nfs/dbraw/zinc/54/97/49/789549749.db2.gz WHINNKGWYPVTCW-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001073165085 789558456 /nfs/dbraw/zinc/55/84/56/789558456.db2.gz SWPWHDZOTKOCLS-INIZCTEOSA-N 1 1 349.475 0.865 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001073355762 789757311 /nfs/dbraw/zinc/75/73/11/789757311.db2.gz UXTXTLUORWVMMU-HZPDHXFCSA-N 1 1 349.475 0.720 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001073355762 789757314 /nfs/dbraw/zinc/75/73/14/789757314.db2.gz UXTXTLUORWVMMU-HZPDHXFCSA-N 1 1 349.475 0.720 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001073402283 789793948 /nfs/dbraw/zinc/79/39/48/789793948.db2.gz IDTXTMBJEDXXBL-UHFFFAOYSA-N 1 1 334.420 0.427 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001073402807 789794554 /nfs/dbraw/zinc/79/45/54/789794554.db2.gz RGSDIBGSDZPPRG-UHFFFAOYSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)Cc4ccc[nH]4)C3)C2)C1=O ZINC001073447077 789853394 /nfs/dbraw/zinc/85/33/94/789853394.db2.gz DAPMQXUGNJAIDP-INIZCTEOSA-N 1 1 342.443 0.878 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3ccc(C#N)nc3)C(C)(C)C2)C1 ZINC001069553546 789895931 /nfs/dbraw/zinc/89/59/31/789895931.db2.gz YXXPVHKTIZMJTH-JKSUJKDBSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3ccc(C#N)nc3)C(C)(C)C2)C1 ZINC001069553546 789895939 /nfs/dbraw/zinc/89/59/39/789895939.db2.gz YXXPVHKTIZMJTH-JKSUJKDBSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@@H+](CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)C(C)(C)C1)C1CCC1 ZINC001069627938 789938734 /nfs/dbraw/zinc/93/87/34/789938734.db2.gz RJSWRYKXAXFUBT-AWEZNQCLSA-N 1 1 342.447 0.903 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069629036 789939212 /nfs/dbraw/zinc/93/92/12/789939212.db2.gz IFNMZXIRVDOLFA-ZIAGYGMSSA-N 1 1 342.447 0.903 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)c2C1 ZINC001069863559 790118310 /nfs/dbraw/zinc/11/83/10/790118310.db2.gz YEUQLCOTCYHGHA-HNNXBMFYSA-N 1 1 338.415 0.722 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069899274 790167602 /nfs/dbraw/zinc/16/76/02/790167602.db2.gz XHSSXUUBMPMVMR-ZNMIVQPWSA-N 1 1 327.392 0.101 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2cncn2)[C@@H](n2ccnn2)C1 ZINC001069911952 790180454 /nfs/dbraw/zinc/18/04/54/790180454.db2.gz FWIXMSDLTFZJKA-MCIONIFRSA-N 1 1 330.396 0.048 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2cncn2)[C@@H](n2ccnn2)C1 ZINC001069911952 790180458 /nfs/dbraw/zinc/18/04/58/790180458.db2.gz FWIXMSDLTFZJKA-MCIONIFRSA-N 1 1 330.396 0.048 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069942353 790218552 /nfs/dbraw/zinc/21/85/52/790218552.db2.gz YDOFNNUDEPOPTN-KGLIPLIRSA-N 1 1 335.383 0.162 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069942353 790218554 /nfs/dbraw/zinc/21/85/54/790218554.db2.gz YDOFNNUDEPOPTN-KGLIPLIRSA-N 1 1 335.383 0.162 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069943218 790219853 /nfs/dbraw/zinc/21/98/53/790219853.db2.gz IADFPEWRXPRDCG-ZBFHGGJFSA-N 1 1 341.419 0.652 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001069951522 790232698 /nfs/dbraw/zinc/23/26/98/790232698.db2.gz UHSJHKYIDBRKCE-NEPJUHHUSA-N 1 1 331.380 0.247 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001069951522 790232702 /nfs/dbraw/zinc/23/27/02/790232702.db2.gz UHSJHKYIDBRKCE-NEPJUHHUSA-N 1 1 331.380 0.247 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CCF)c2)[C@@H](n2ccnn2)C1 ZINC001069963879 790248812 /nfs/dbraw/zinc/24/88/12/790248812.db2.gz SGXYHRHXFIRITD-CABCVRRESA-N 1 1 347.398 0.676 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001068837998 791232978 /nfs/dbraw/zinc/23/29/78/791232978.db2.gz DHXANCBVGQVESG-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068839738 791236902 /nfs/dbraw/zinc/23/69/02/791236902.db2.gz SJIJRVSYDYCELC-CABCVRRESA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001068916590 791413705 /nfs/dbraw/zinc/41/37/05/791413705.db2.gz NNXKMBLECSVUCD-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](Nc2cncc(C#N)n2)[C@H]1C ZINC001068921562 791425576 /nfs/dbraw/zinc/42/55/76/791425576.db2.gz RSMIEKZJCCDSKT-OCCSQVGLSA-N 1 1 325.376 0.955 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068950138 791487894 /nfs/dbraw/zinc/48/78/94/791487894.db2.gz UVPGSBAXKZWGLM-KBPBESRZSA-N 1 1 335.448 0.636 20 30 ECEDMO C[C@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119038 791720373 /nfs/dbraw/zinc/72/03/73/791720373.db2.gz MYXALDFSRKZBDP-UONOGXRCSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2cccc(F)n2)C1 ZINC001066690990 792001754 /nfs/dbraw/zinc/00/17/54/792001754.db2.gz ZOTAKJCSPFNESL-CABCVRRESA-N 1 1 346.406 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2cccc(F)n2)C1 ZINC001066690990 792001767 /nfs/dbraw/zinc/00/17/67/792001767.db2.gz ZOTAKJCSPFNESL-CABCVRRESA-N 1 1 346.406 0.958 20 30 ECEDMO CCCC(=O)N1CC[C@@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066698683 792020738 /nfs/dbraw/zinc/02/07/38/792020738.db2.gz NJENDFIKNKBTCA-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)CC1 ZINC001066729192 792053414 /nfs/dbraw/zinc/05/34/14/792053414.db2.gz HUWNAPVEKIRYNY-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)CC1 ZINC001066730351 792054986 /nfs/dbraw/zinc/05/49/86/792054986.db2.gz WSFYMOPYFOTTLN-UONOGXRCSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066736155 792069284 /nfs/dbraw/zinc/06/92/84/792069284.db2.gz GOCZHLKORLCHHW-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066736155 792069296 /nfs/dbraw/zinc/06/92/96/792069296.db2.gz GOCZHLKORLCHHW-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2ccc(C#N)cn2)C1 ZINC001066890865 792292409 /nfs/dbraw/zinc/29/24/09/792292409.db2.gz RAHXBMNTIVVFDD-QAPCUYQASA-N 1 1 343.431 0.813 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2cnc(C#N)cn2)C1 ZINC001066891174 792293388 /nfs/dbraw/zinc/29/33/88/792293388.db2.gz WLQQWQVHVLDZBL-PBHICJAKSA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(Nc3ccc(C#N)nn3)C2)C1 ZINC001066906482 792343134 /nfs/dbraw/zinc/34/31/34/792343134.db2.gz VAALNGAFYQUZQB-CXAGYDPISA-N 1 1 344.419 0.065 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3cncc(C#N)n3)C2)C1 ZINC001067852811 792373646 /nfs/dbraw/zinc/37/36/46/792373646.db2.gz QABJUVCRJITFEX-SSDMNJCBSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3cncc(C#N)n3)C2)C1 ZINC001067852811 792373654 /nfs/dbraw/zinc/37/36/54/792373654.db2.gz QABJUVCRJITFEX-SSDMNJCBSA-N 1 1 344.419 0.376 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001067910739 792455123 /nfs/dbraw/zinc/45/51/23/792455123.db2.gz WIWZFZQORXVKFA-WLYUNCDWSA-N 1 1 342.447 0.903 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001067000619 792543212 /nfs/dbraw/zinc/54/32/12/792543212.db2.gz OGQRRNOXLZTMIV-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)C#CC(C)(C)C ZINC001067078517 792671064 /nfs/dbraw/zinc/67/10/64/792671064.db2.gz CMTAKPLOYHKDKE-HNNXBMFYSA-N 1 1 337.464 0.673 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)C#CC(C)(C)C ZINC001067078517 792671070 /nfs/dbraw/zinc/67/10/70/792671070.db2.gz CMTAKPLOYHKDKE-HNNXBMFYSA-N 1 1 337.464 0.673 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC001068113905 792694349 /nfs/dbraw/zinc/69/43/49/792694349.db2.gz UWSOUIQSJWAOJF-DZGCQCFKSA-N 1 1 342.447 0.939 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001067108721 792706237 /nfs/dbraw/zinc/70/62/37/792706237.db2.gz NIWRTYBGBSOTMX-WCQYABFASA-N 1 1 325.376 0.234 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001068162678 792765388 /nfs/dbraw/zinc/76/53/88/792765388.db2.gz SQLGSZZLWWKPDP-NXOAAHMSSA-N 1 1 341.415 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001068162678 792765392 /nfs/dbraw/zinc/76/53/92/792765392.db2.gz SQLGSZZLWWKPDP-NXOAAHMSSA-N 1 1 341.415 0.082 20 30 ECEDMO CC(C)C#CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001067363864 793041769 /nfs/dbraw/zinc/04/17/69/793041769.db2.gz YRZBLYUMATWLLV-IAGOWNOFSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001068358141 793120922 /nfs/dbraw/zinc/12/09/22/793120922.db2.gz AHTYLERMIILMJI-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001068389625 793184471 /nfs/dbraw/zinc/18/44/71/793184471.db2.gz MMXUFVZSJIWWGN-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CCCCC(=O)N1CCOC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068447792 793327156 /nfs/dbraw/zinc/32/71/56/793327156.db2.gz VMGRTARVGBVOLV-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)C2=COCCO2)C1 ZINC001267443260 837425671 /nfs/dbraw/zinc/42/56/71/837425671.db2.gz NRZPEODKQNARNF-CABCVRRESA-N 1 1 349.431 0.325 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)C2=COCCO2)C1 ZINC001267443260 837425677 /nfs/dbraw/zinc/42/56/77/837425677.db2.gz NRZPEODKQNARNF-CABCVRRESA-N 1 1 349.431 0.325 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267466024 837471342 /nfs/dbraw/zinc/47/13/42/837471342.db2.gz LBGCQAUUKKOQLG-KBPBESRZSA-N 1 1 331.420 0.492 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267466024 837471348 /nfs/dbraw/zinc/47/13/48/837471348.db2.gz LBGCQAUUKKOQLG-KBPBESRZSA-N 1 1 331.420 0.492 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267496628 837567874 /nfs/dbraw/zinc/56/78/74/837567874.db2.gz XHPBKCUYROBYGO-UONOGXRCSA-N 1 1 334.420 0.311 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@H]1CNC(=O)N1)Cc1ccc(C#N)cc1 ZINC001267508401 837595035 /nfs/dbraw/zinc/59/50/35/837595035.db2.gz WSLOLBTVXUCNSN-MRXNPFEDSA-N 1 1 343.431 0.956 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2cc(C)on2)C1 ZINC001267514196 837606692 /nfs/dbraw/zinc/60/66/92/837606692.db2.gz TVAIVXDMGTZZLF-AWEZNQCLSA-N 1 1 332.404 0.103 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267531833 837705517 /nfs/dbraw/zinc/70/55/17/837705517.db2.gz ZUVMOUMOHKQCOH-AWEZNQCLSA-N 1 1 348.447 0.416 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001267538584 837720540 /nfs/dbraw/zinc/72/05/40/837720540.db2.gz UCWPONFJNOPAOC-MJBXVCDLSA-N 1 1 335.404 0.060 20 30 ECEDMO C=CCOCC(=O)N(CCC)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267538945 837721456 /nfs/dbraw/zinc/72/14/56/837721456.db2.gz QOEXNDJTFZDKHQ-ZIAGYGMSSA-N 1 1 337.420 0.307 20 30 ECEDMO C=CCOCC(=O)N(CCC)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267538945 837721465 /nfs/dbraw/zinc/72/14/65/837721465.db2.gz QOEXNDJTFZDKHQ-ZIAGYGMSSA-N 1 1 337.420 0.307 20 30 ECEDMO CCCN(C(=O)C[C@@H]1COC(=O)C1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267541351 837728233 /nfs/dbraw/zinc/72/82/33/837728233.db2.gz ZGBBPULNZCGUTJ-JKSUJKDBSA-N 1 1 336.432 0.902 20 30 ECEDMO CCCN(C(=O)C[C@@H]1COC(=O)C1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267541351 837728238 /nfs/dbraw/zinc/72/82/38/837728238.db2.gz ZGBBPULNZCGUTJ-JKSUJKDBSA-N 1 1 336.432 0.902 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2snnc2CC)C1 ZINC001267544179 837732652 /nfs/dbraw/zinc/73/26/52/837732652.db2.gz JUHLFHXTIUIYMO-LBPRGKRZSA-N 1 1 349.460 0.292 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CCNC(=O)c2sccc2-n2cnnn2)C1 ZINC001267544980 837734261 /nfs/dbraw/zinc/73/42/61/837734261.db2.gz OLOHRJLQYOAICQ-GFCCVEGCSA-N 1 1 330.417 0.799 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267553370 837756574 /nfs/dbraw/zinc/75/65/74/837756574.db2.gz FWIAILCVPHQQIM-UONOGXRCSA-N 1 1 341.415 0.466 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001267558387 837765428 /nfs/dbraw/zinc/76/54/28/837765428.db2.gz XYIWKISESMIQGN-LSDHHAIUSA-N 1 1 335.452 0.765 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2C)C1 ZINC001267557731 837766307 /nfs/dbraw/zinc/76/63/07/837766307.db2.gz LLRANSNOJGUCCU-JKSUJKDBSA-N 1 1 334.464 0.048 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2C)C1 ZINC001267557731 837766310 /nfs/dbraw/zinc/76/63/10/837766310.db2.gz LLRANSNOJGUCCU-JKSUJKDBSA-N 1 1 334.464 0.048 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001267566091 837783150 /nfs/dbraw/zinc/78/31/50/837783150.db2.gz AVPUXMSKRVACPY-ZDUSSCGKSA-N 1 1 329.466 0.166 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001267566791 837785928 /nfs/dbraw/zinc/78/59/28/837785928.db2.gz HJRPOBNMVUFKBW-ZBFHGGJFSA-N 1 1 341.477 0.310 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H]2CC[N@H+](C[C@H](O)COC)C2)cn1 ZINC001267567297 837786692 /nfs/dbraw/zinc/78/66/92/837786692.db2.gz APSHJIATFYPTKK-YOEHRIQHSA-N 1 1 331.416 0.512 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@H](C)n2ccnc2)C1 ZINC001267567784 837788540 /nfs/dbraw/zinc/78/85/40/837788540.db2.gz OWVDIUPBQCVBKK-JKSUJKDBSA-N 1 1 345.447 0.412 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)Cc2[nH]nc3c2CCCC3)CC1 ZINC001267572053 837806610 /nfs/dbraw/zinc/80/66/10/837806610.db2.gz DTISQXPYICEPAX-UHFFFAOYSA-N 1 1 343.475 0.540 20 30 ECEDMO CCOCCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CC#CCOC)C1 ZINC001266251488 835557097 /nfs/dbraw/zinc/55/70/97/835557097.db2.gz DGEXKQCCVGYNQK-HOTGVXAUSA-N 1 1 326.437 0.658 20 30 ECEDMO CCOCCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001266251488 835557102 /nfs/dbraw/zinc/55/71/02/835557102.db2.gz DGEXKQCCVGYNQK-HOTGVXAUSA-N 1 1 326.437 0.658 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)c2[nH]ncc2C(F)(F)F)CC1 ZINC001266264960 835579026 /nfs/dbraw/zinc/57/90/26/835579026.db2.gz QCZNORRADRNHAN-UHFFFAOYSA-N 1 1 344.341 0.690 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCC[NH+]1CCN(Cc2nnnn2C)CC1 ZINC001266271513 835592890 /nfs/dbraw/zinc/59/28/90/835592890.db2.gz MNVKIZYFEVWQRH-KRWDZBQOSA-N 1 1 349.483 0.436 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)C2(NC(C)=O)CCCC2)CC1 ZINC001266272982 835594781 /nfs/dbraw/zinc/59/47/81/835594781.db2.gz DCHGXSNPIFXMLZ-UHFFFAOYSA-N 1 1 336.480 0.745 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001266282915 835612414 /nfs/dbraw/zinc/61/24/14/835612414.db2.gz WZRMRPBMULSXJX-LLVKDONJSA-N 1 1 343.387 0.068 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001266282915 835612418 /nfs/dbraw/zinc/61/24/18/835612418.db2.gz WZRMRPBMULSXJX-LLVKDONJSA-N 1 1 343.387 0.068 20 30 ECEDMO O=C(C#CC1CC1)NCCN1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC001266283242 835614148 /nfs/dbraw/zinc/61/41/48/835614148.db2.gz JYQBUIPYXIDSDJ-GOSISDBHSA-N 1 1 349.475 0.329 20 30 ECEDMO C#CCN1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001266285948 835621884 /nfs/dbraw/zinc/62/18/84/835621884.db2.gz SSIWMUQWSXWGTM-SFHVURJKSA-N 1 1 332.492 0.760 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2ccc(CNC(C)=O)cc2)CC1 ZINC001266288047 835630720 /nfs/dbraw/zinc/63/07/20/835630720.db2.gz PHNNRRAATWOQSY-UHFFFAOYSA-N 1 1 342.443 0.303 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1cccc(CC)c1 ZINC001266288781 835632438 /nfs/dbraw/zinc/63/24/38/835632438.db2.gz PSNKYOFIKBQLIY-HNNXBMFYSA-N 1 1 329.444 0.977 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1cccc(CC)c1 ZINC001266288781 835632443 /nfs/dbraw/zinc/63/24/43/835632443.db2.gz PSNKYOFIKBQLIY-HNNXBMFYSA-N 1 1 329.444 0.977 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)Cc2ccc(F)cn2)C1=O ZINC001266288670 835632531 /nfs/dbraw/zinc/63/25/31/835632531.db2.gz LRCVWOUYQZELFK-HNNXBMFYSA-N 1 1 334.395 0.598 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)Cc2ccc(F)cn2)C1=O ZINC001266288670 835632534 /nfs/dbraw/zinc/63/25/34/835632534.db2.gz LRCVWOUYQZELFK-HNNXBMFYSA-N 1 1 334.395 0.598 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)CCOCc2ccccc2)CC1 ZINC001266297401 835646930 /nfs/dbraw/zinc/64/69/30/835646930.db2.gz PBYQOKJJJHULGZ-UHFFFAOYSA-N 1 1 329.444 0.960 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)CCC)CC1 ZINC001266297895 835649187 /nfs/dbraw/zinc/64/91/87/835649187.db2.gz WVYLLRANLZHDEY-KRWDZBQOSA-N 1 1 348.491 0.535 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C[C@H](C)n2ccc(C)n2)C1=O ZINC001266306505 835670882 /nfs/dbraw/zinc/67/08/82/835670882.db2.gz UWWBZNLFUYNKOM-HOTGVXAUSA-N 1 1 347.463 0.978 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C[C@H](C)n2ccc(C)n2)C1=O ZINC001266306505 835670889 /nfs/dbraw/zinc/67/08/89/835670889.db2.gz UWWBZNLFUYNKOM-HOTGVXAUSA-N 1 1 347.463 0.978 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[C@H]1CCCC1(F)F ZINC001266313229 835681327 /nfs/dbraw/zinc/68/13/27/835681327.db2.gz HETXDTBIUPPAKL-CHWSQXEVSA-N 1 1 329.391 0.998 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H]1CCCC1(F)F ZINC001266313229 835681332 /nfs/dbraw/zinc/68/13/32/835681332.db2.gz HETXDTBIUPPAKL-CHWSQXEVSA-N 1 1 329.391 0.998 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc[nH]2)C1 ZINC001266318077 835686735 /nfs/dbraw/zinc/68/67/35/835686735.db2.gz YKYHKBMXQZLRNU-FYCOFBDGSA-N 1 1 343.431 0.981 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)/C=C/c2ccc[nH]2)C1 ZINC001266318077 835686739 /nfs/dbraw/zinc/68/67/39/835686739.db2.gz YKYHKBMXQZLRNU-FYCOFBDGSA-N 1 1 343.431 0.981 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266320935 835692859 /nfs/dbraw/zinc/69/28/59/835692859.db2.gz JBALOAFCXSWXGY-LSDHHAIUSA-N 1 1 347.463 0.889 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001266330435 835711760 /nfs/dbraw/zinc/71/17/60/835711760.db2.gz DHCLACVQYDPJJA-JSGCOSHPSA-N 1 1 348.472 0.631 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001266330435 835711763 /nfs/dbraw/zinc/71/17/63/835711763.db2.gz DHCLACVQYDPJJA-JSGCOSHPSA-N 1 1 348.472 0.631 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCNC(=O)C3CC3)C2)cc1 ZINC001266333495 835716435 /nfs/dbraw/zinc/71/64/35/835716435.db2.gz OHWCNNLUCHMVTM-QGZVFWFLSA-N 1 1 325.412 0.998 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCNC(=O)C3CC3)C2)cc1 ZINC001266333495 835716438 /nfs/dbraw/zinc/71/64/38/835716438.db2.gz OHWCNNLUCHMVTM-QGZVFWFLSA-N 1 1 325.412 0.998 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266339284 835724021 /nfs/dbraw/zinc/72/40/21/835724021.db2.gz NFRCGJGSVSKINR-HUUCEWRRSA-N 1 1 345.447 0.247 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)Oc1ccccc1 ZINC001266354795 835757711 /nfs/dbraw/zinc/75/77/11/835757711.db2.gz NRVDTXVWYXRGJH-CABCVRRESA-N 1 1 331.416 0.640 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)Oc1ccccc1 ZINC001266354795 835757720 /nfs/dbraw/zinc/75/77/20/835757720.db2.gz NRVDTXVWYXRGJH-CABCVRRESA-N 1 1 331.416 0.640 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001266355706 835759169 /nfs/dbraw/zinc/75/91/69/835759169.db2.gz MRZHVRXPZHPCPP-NWDGAFQWSA-N 1 1 329.391 0.996 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001266355706 835759177 /nfs/dbraw/zinc/75/91/77/835759177.db2.gz MRZHVRXPZHPCPP-NWDGAFQWSA-N 1 1 329.391 0.996 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001266358406 835764712 /nfs/dbraw/zinc/76/47/12/835764712.db2.gz CSWKWZWDYOKSCP-CQSZACIVSA-N 1 1 333.436 0.628 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001266365231 835777599 /nfs/dbraw/zinc/77/75/99/835777599.db2.gz SLDWQPYWGYUZMI-UHFFFAOYSA-N 1 1 336.395 0.894 20 30 ECEDMO C[N@H+](CC#Cc1ccccc1)CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001266365231 835777605 /nfs/dbraw/zinc/77/76/05/835777605.db2.gz SLDWQPYWGYUZMI-UHFFFAOYSA-N 1 1 336.395 0.894 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)[C@H]2C[C@@H](C)CO2)CC1 ZINC001266389013 835798541 /nfs/dbraw/zinc/79/85/41/835798541.db2.gz ZLGJWQNXKRHNNR-NVXWUHKLSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1conc1C ZINC001266413670 835819100 /nfs/dbraw/zinc/81/91/00/835819100.db2.gz RCJRRCVBHPXZPQ-UHFFFAOYSA-N 1 1 337.380 0.047 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1conc1C ZINC001266413670 835819103 /nfs/dbraw/zinc/81/91/03/835819103.db2.gz RCJRRCVBHPXZPQ-UHFFFAOYSA-N 1 1 337.380 0.047 20 30 ECEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001266427879 835831335 /nfs/dbraw/zinc/83/13/35/835831335.db2.gz DGMCSHWCUMYCMI-UHFFFAOYSA-N 1 1 335.452 0.785 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(F)F)C1 ZINC001266448027 835851245 /nfs/dbraw/zinc/85/12/45/835851245.db2.gz FLOFNHITJKLACH-QWHCGFSZSA-N 1 1 329.391 0.950 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cccc(C)n2)C1 ZINC001266448548 835852643 /nfs/dbraw/zinc/85/26/43/835852643.db2.gz PYXBOLWTSUDCME-MRXNPFEDSA-N 1 1 342.443 0.923 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001266449649 835852782 /nfs/dbraw/zinc/85/27/82/835852782.db2.gz BQSBVZCDCOGMSY-HUUCEWRRSA-N 1 1 348.447 0.046 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001266449649 835852790 /nfs/dbraw/zinc/85/27/90/835852790.db2.gz BQSBVZCDCOGMSY-HUUCEWRRSA-N 1 1 348.447 0.046 20 30 ECEDMO Cc1cnc(C(=O)N2CCC[C@H](C[N@H+](C)CC(=O)NCC#N)C2)cn1 ZINC001266449108 835852970 /nfs/dbraw/zinc/85/29/70/835852970.db2.gz YPECLUOQJBLEKO-CQSZACIVSA-N 1 1 344.419 0.209 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CC ZINC001266457240 835860828 /nfs/dbraw/zinc/86/08/28/835860828.db2.gz HUZLSDWFIYXEPA-UONOGXRCSA-N 1 1 333.436 0.788 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CC ZINC001266457240 835860833 /nfs/dbraw/zinc/86/08/33/835860833.db2.gz HUZLSDWFIYXEPA-UONOGXRCSA-N 1 1 333.436 0.788 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001266464396 835865966 /nfs/dbraw/zinc/86/59/66/835865966.db2.gz ZWDXAZCIVXAHKW-ZDUSSCGKSA-N 1 1 342.399 0.830 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001266466340 835867422 /nfs/dbraw/zinc/86/74/22/835867422.db2.gz MRVWLZVLMYLNHY-CQSZACIVSA-N 1 1 332.404 0.137 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001266466867 835868748 /nfs/dbraw/zinc/86/87/48/835868748.db2.gz XTWSVVIDNSQGHR-CRAIPNDOSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001266466795 835868789 /nfs/dbraw/zinc/86/87/89/835868789.db2.gz VUZLZZOPFXYHCC-BBWFWOEESA-N 1 1 347.459 0.497 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2nccc2C)C1 ZINC001266469927 835873303 /nfs/dbraw/zinc/87/33/03/835873303.db2.gz WFIWQYSZIVLLCW-MRXNPFEDSA-N 1 1 347.463 0.664 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001266479769 835880467 /nfs/dbraw/zinc/88/04/67/835880467.db2.gz CLMRMZLLGVQIPV-NWDGAFQWSA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001266479769 835880474 /nfs/dbraw/zinc/88/04/74/835880474.db2.gz CLMRMZLLGVQIPV-NWDGAFQWSA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)nc1OC ZINC001266485507 835885646 /nfs/dbraw/zinc/88/56/46/835885646.db2.gz DCHTXROKWZCEDM-AWEZNQCLSA-N 1 1 346.431 0.895 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)nc1OC ZINC001266485507 835885651 /nfs/dbraw/zinc/88/56/51/835885651.db2.gz DCHTXROKWZCEDM-AWEZNQCLSA-N 1 1 346.431 0.895 20 30 ECEDMO C=CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001266489659 835889245 /nfs/dbraw/zinc/88/92/45/835889245.db2.gz MWDCPDMLCJCNHB-WCXIOVBPSA-N 1 1 348.491 0.837 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001266489121 835889404 /nfs/dbraw/zinc/88/94/04/835889404.db2.gz XCPZPRWAYRGDBF-KGLIPLIRSA-N 1 1 338.452 0.300 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](CNC(=O)C2=CCOCC2)C1 ZINC001266508153 835912039 /nfs/dbraw/zinc/91/20/39/835912039.db2.gz GJSTUSCPYSYQCL-MRXNPFEDSA-N 1 1 347.459 0.972 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC001266511776 835919794 /nfs/dbraw/zinc/91/97/94/835919794.db2.gz QTKUGRWZMQWPEI-CABCVRRESA-N 1 1 328.478 0.909 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccncc2C)C1 ZINC001266514236 835924315 /nfs/dbraw/zinc/92/43/15/835924315.db2.gz OAJGHQLTQZCQEA-HOTGVXAUSA-N 1 1 342.443 0.509 20 30 ECEDMO CCc1ccnc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001266513717 835924834 /nfs/dbraw/zinc/92/48/34/835924834.db2.gz FWJUWHDPMJATHG-AWEZNQCLSA-N 1 1 329.404 0.335 20 30 ECEDMO CCc1ccnc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001266513717 835924839 /nfs/dbraw/zinc/92/48/39/835924839.db2.gz FWJUWHDPMJATHG-AWEZNQCLSA-N 1 1 329.404 0.335 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnn3ncccc23)C1 ZINC001266517064 835927835 /nfs/dbraw/zinc/92/78/35/835927835.db2.gz FNWNOMKXLLQTCU-ZDUSSCGKSA-N 1 1 342.403 0.083 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266520993 835935434 /nfs/dbraw/zinc/93/54/34/835935434.db2.gz XUXOGHOZEQTPFU-HZPDHXFCSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(C3CC3)no2)C1 ZINC001266537848 835957287 /nfs/dbraw/zinc/95/72/87/835957287.db2.gz TZLPGZWIQRPXLI-LBPRGKRZSA-N 1 1 330.388 0.353 20 30 ECEDMO C=CCN1CC[C@@H](N(CCC)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001266556498 835984300 /nfs/dbraw/zinc/98/43/00/835984300.db2.gz PGKIBGUOWRIEBD-JKSUJKDBSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCN1CC[C@@H](N(CCC)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001266556498 835984315 /nfs/dbraw/zinc/98/43/15/835984315.db2.gz PGKIBGUOWRIEBD-JKSUJKDBSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)C1CCC(O)CC1 ZINC001266559017 835986384 /nfs/dbraw/zinc/98/63/84/835986384.db2.gz YBXZAXIUVLZWOI-FHERZECASA-N 1 1 337.464 0.504 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1cccc2n[nH]nc21)CC(=O)NCC#N ZINC001266563112 835991662 /nfs/dbraw/zinc/99/16/62/835991662.db2.gz ZZVQPEWLEHYQBY-UHFFFAOYSA-N 1 1 343.391 0.039 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1cccc2n[nH]nc21)CC(=O)NCC#N ZINC001266563112 835991671 /nfs/dbraw/zinc/99/16/71/835991671.db2.gz ZZVQPEWLEHYQBY-UHFFFAOYSA-N 1 1 343.391 0.039 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCOC2)C1 ZINC001279471055 836074012 /nfs/dbraw/zinc/07/40/12/836074012.db2.gz JXWQXLRVLOXDGX-SJLPKXTDSA-N 1 1 338.448 0.396 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCOC2)C1 ZINC001279471055 836074024 /nfs/dbraw/zinc/07/40/24/836074024.db2.gz JXWQXLRVLOXDGX-SJLPKXTDSA-N 1 1 338.448 0.396 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001266688689 836144373 /nfs/dbraw/zinc/14/43/73/836144373.db2.gz SMDPQCZILIPEOZ-TXEJJXNPSA-N 1 1 349.435 0.697 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001266730564 836209903 /nfs/dbraw/zinc/20/99/03/836209903.db2.gz YIZOFLOWJQAMSE-BETUJISGSA-N 1 1 345.447 0.831 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CC(C)(C)O)C1 ZINC001266749295 836237481 /nfs/dbraw/zinc/23/74/81/836237481.db2.gz GPSVKRUPZQUROL-ZIAGYGMSSA-N 1 1 325.453 0.666 20 30 ECEDMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C#CC(C)C)C1 ZINC001266749871 836238752 /nfs/dbraw/zinc/23/87/52/836238752.db2.gz NHRYTWCJSLJGNX-KGLIPLIRSA-N 1 1 336.436 0.318 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001266757579 836253940 /nfs/dbraw/zinc/25/39/40/836253940.db2.gz CTHGTYGMKYFKKE-CYBMUJFWSA-N 1 1 331.482 0.576 20 30 ECEDMO Cc1ccoc1CC(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266761268 836263351 /nfs/dbraw/zinc/26/33/51/836263351.db2.gz WXGALAIVMZAHAU-CQSZACIVSA-N 1 1 332.404 0.599 20 30 ECEDMO Cc1ccoc1CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266761268 836263359 /nfs/dbraw/zinc/26/33/59/836263359.db2.gz WXGALAIVMZAHAU-CQSZACIVSA-N 1 1 332.404 0.599 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001266763502 836266747 /nfs/dbraw/zinc/26/67/47/836266747.db2.gz FGWVRGDIOIYVCJ-CABCVRRESA-N 1 1 343.493 0.412 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001266767777 836273867 /nfs/dbraw/zinc/27/38/67/836273867.db2.gz RKKWBIVDLIIPDH-CQSZACIVSA-N 1 1 342.443 0.695 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001266768049 836276080 /nfs/dbraw/zinc/27/60/80/836276080.db2.gz WVUCQYZDTFMDOY-GJZGRUSLSA-N 1 1 327.428 0.912 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001266769755 836278748 /nfs/dbraw/zinc/27/87/48/836278748.db2.gz HMWKNPQSMIOKRX-AWEZNQCLSA-N 1 1 336.436 0.368 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)CC[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001266800634 836323703 /nfs/dbraw/zinc/32/37/03/836323703.db2.gz ZAOXGRVLYJZRRR-UHFFFAOYSA-N 1 1 332.408 0.829 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@H+]1CCCN1C(=O)CNC1=O ZINC001266837897 836363030 /nfs/dbraw/zinc/36/30/30/836363030.db2.gz YLHHPQOYEQWYPR-CHWSQXEVSA-N 1 1 335.408 0.059 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CCc1ccnn1C ZINC001266843028 836369715 /nfs/dbraw/zinc/36/97/15/836369715.db2.gz ZFLBIXGSCMVABI-WBVHZDCISA-N 1 1 332.448 0.972 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@H](O)COC)nn1 ZINC001266855295 836389558 /nfs/dbraw/zinc/38/95/58/836389558.db2.gz AISVJHGJSRLRIM-KGLIPLIRSA-N 1 1 337.424 0.056 20 30 ECEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266857773 836393564 /nfs/dbraw/zinc/39/35/64/836393564.db2.gz OWCFFHFFSDWRAA-CQSZACIVSA-N 1 1 336.436 0.817 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001266858400 836394524 /nfs/dbraw/zinc/39/45/24/836394524.db2.gz SXNRDNZCBKSLLG-ZDUSSCGKSA-N 1 1 344.419 0.549 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001266858400 836394537 /nfs/dbraw/zinc/39/45/37/836394537.db2.gz SXNRDNZCBKSLLG-ZDUSSCGKSA-N 1 1 344.419 0.549 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)CC[NH2+]Cc2nnc(C)[nH]2)cc1 ZINC001266862041 836403313 /nfs/dbraw/zinc/40/33/13/836403313.db2.gz QTTOSIYXIJMMSQ-UHFFFAOYSA-N 1 1 327.388 0.987 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c(C)noc2C)C1 ZINC001266888876 836436065 /nfs/dbraw/zinc/43/60/65/836436065.db2.gz GXDWNJNWYTWNEG-WFASDCNBSA-N 1 1 346.431 0.871 20 30 ECEDMO Cc1ncc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001266890542 836440339 /nfs/dbraw/zinc/44/03/39/836440339.db2.gz GPUJTENQZPVIMS-AAEUAGOBSA-N 1 1 332.408 0.188 20 30 ECEDMO Cc1ncc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001266890542 836440342 /nfs/dbraw/zinc/44/03/42/836440342.db2.gz GPUJTENQZPVIMS-AAEUAGOBSA-N 1 1 332.408 0.188 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2coc(OC)n2)C1 ZINC001266892724 836441918 /nfs/dbraw/zinc/44/19/18/836441918.db2.gz XDGFDGGGKMAOAP-STQMWFEESA-N 1 1 348.403 0.263 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266897347 836448125 /nfs/dbraw/zinc/44/81/25/836448125.db2.gz NCZLCBRZMMJNTQ-KBPBESRZSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCCCCS(N)(=O)=O)C1 ZINC001266898286 836450633 /nfs/dbraw/zinc/45/06/33/836450633.db2.gz ULLOBHGCVJWSGQ-GJZGRUSLSA-N 1 1 343.493 0.685 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H](C)SC)CC1 ZINC001283292971 836499077 /nfs/dbraw/zinc/49/90/77/836499077.db2.gz YDAFNCFAHJRJQX-QWHCGFSZSA-N 1 1 325.478 0.799 20 30 ECEDMO C[C@@H](CNC(=O)CN1C(=O)CCC1=O)[NH2+]Cc1cc(F)ccc1C#N ZINC001266991558 836574640 /nfs/dbraw/zinc/57/46/40/836574640.db2.gz MTLVYYCDMUOLAW-NSHDSACASA-N 1 1 346.362 0.441 20 30 ECEDMO C#Cc1cccc(NC(=O)CN[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001266992912 836575947 /nfs/dbraw/zinc/57/59/47/836575947.db2.gz FRUYDYSFRZOQTJ-GOEBONIOSA-N 1 1 342.443 0.652 20 30 ECEDMO C#Cc1cccc(NC(=O)CN[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001266992912 836575952 /nfs/dbraw/zinc/57/59/52/836575952.db2.gz FRUYDYSFRZOQTJ-GOEBONIOSA-N 1 1 342.443 0.652 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001267099630 836768762 /nfs/dbraw/zinc/76/87/62/836768762.db2.gz BRLZLHXLLRSNMT-LSDHHAIUSA-N 1 1 348.451 0.282 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C)ncn2)C1 ZINC001267102372 836775493 /nfs/dbraw/zinc/77/54/93/836775493.db2.gz DYQPJFXDRDKHAJ-CABCVRRESA-N 1 1 343.431 0.459 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001267105286 836783190 /nfs/dbraw/zinc/78/31/90/836783190.db2.gz JGHOJQVYSBFVED-KGLIPLIRSA-N 1 1 325.453 0.761 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CCOCC2CC2)C1 ZINC001267106015 836786667 /nfs/dbraw/zinc/78/66/67/836786667.db2.gz NYMIKQXFZZCYLK-WBVHZDCISA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cncc2C)C1 ZINC001267107515 836789695 /nfs/dbraw/zinc/78/96/95/836789695.db2.gz DYGVFBODKWBLMS-HOTGVXAUSA-N 1 1 345.447 0.252 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCCF)C1 ZINC001267109442 836792238 /nfs/dbraw/zinc/79/22/38/836792238.db2.gz VOJUWGBFKJIFGG-CYBMUJFWSA-N 1 1 342.415 0.671 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCF)C1 ZINC001267109442 836792244 /nfs/dbraw/zinc/79/22/44/836792244.db2.gz VOJUWGBFKJIFGG-CYBMUJFWSA-N 1 1 342.415 0.671 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001267110600 836795934 /nfs/dbraw/zinc/79/59/34/836795934.db2.gz GFFMXEJANAHEHS-UKRRQHHQSA-N 1 1 334.420 0.831 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001267111808 836797594 /nfs/dbraw/zinc/79/75/94/836797594.db2.gz SUXLVLAQNSJRGE-BBRMVZONSA-N 1 1 327.400 0.340 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001267111808 836797603 /nfs/dbraw/zinc/79/76/03/836797603.db2.gz SUXLVLAQNSJRGE-BBRMVZONSA-N 1 1 327.400 0.340 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001267112987 836802105 /nfs/dbraw/zinc/80/21/05/836802105.db2.gz ZRXANKDRWDEAQK-OAGGEKHMSA-N 1 1 335.448 0.803 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001267112987 836802120 /nfs/dbraw/zinc/80/21/20/836802120.db2.gz ZRXANKDRWDEAQK-OAGGEKHMSA-N 1 1 335.448 0.803 20 30 ECEDMO C=CCCC(=O)NCC[N@@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC001267187702 836944177 /nfs/dbraw/zinc/94/41/77/836944177.db2.gz AGLKDSOIXSJOOK-OAHLLOKOSA-N 1 1 333.436 0.930 20 30 ECEDMO C=CCCC(=O)NCC[N@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC001267187702 836944185 /nfs/dbraw/zinc/94/41/85/836944185.db2.gz AGLKDSOIXSJOOK-OAHLLOKOSA-N 1 1 333.436 0.930 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC001267193421 836957290 /nfs/dbraw/zinc/95/72/90/836957290.db2.gz PMNLVYUJGCYPTP-DYVFJYSZSA-N 1 1 325.453 0.761 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC001267193421 836957295 /nfs/dbraw/zinc/95/72/95/836957295.db2.gz PMNLVYUJGCYPTP-DYVFJYSZSA-N 1 1 325.453 0.761 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1ncc2cccnc21 ZINC001267207366 836991483 /nfs/dbraw/zinc/99/14/83/836991483.db2.gz FXHRPCIPRYHSEM-ZDUSSCGKSA-N 1 1 344.419 0.170 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1ncc2cccnc21 ZINC001267207366 836991493 /nfs/dbraw/zinc/99/14/93/836991493.db2.gz FXHRPCIPRYHSEM-ZDUSSCGKSA-N 1 1 344.419 0.170 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1ncc2cccnc21 ZINC001267207365 836991987 /nfs/dbraw/zinc/99/19/87/836991987.db2.gz FXHRPCIPRYHSEM-CYBMUJFWSA-N 1 1 344.419 0.170 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1ncc2cccnc21 ZINC001267207365 836991993 /nfs/dbraw/zinc/99/19/93/836991993.db2.gz FXHRPCIPRYHSEM-CYBMUJFWSA-N 1 1 344.419 0.170 20 30 ECEDMO CC#CCCCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001267210731 836997581 /nfs/dbraw/zinc/99/75/81/836997581.db2.gz JZPHMKWFQDSODS-AWEZNQCLSA-N 1 1 338.452 0.851 20 30 ECEDMO CC#CCCCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001267210731 836997586 /nfs/dbraw/zinc/99/75/86/836997586.db2.gz JZPHMKWFQDSODS-AWEZNQCLSA-N 1 1 338.452 0.851 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ncn(C(C)(C)C)n1 ZINC001267217414 837007159 /nfs/dbraw/zinc/00/71/59/837007159.db2.gz GNZRBTFJYXGFFP-GFCCVEGCSA-N 1 1 336.440 0.385 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ncn(C(C)(C)C)n1 ZINC001267217414 837007167 /nfs/dbraw/zinc/00/71/67/837007167.db2.gz GNZRBTFJYXGFFP-GFCCVEGCSA-N 1 1 336.440 0.385 20 30 ECEDMO C[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001267218040 837008316 /nfs/dbraw/zinc/00/83/16/837008316.db2.gz WTJNPIKRDPMOBU-JKSUJKDBSA-N 1 1 347.390 0.258 20 30 ECEDMO C[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001267218040 837008323 /nfs/dbraw/zinc/00/83/23/837008323.db2.gz WTJNPIKRDPMOBU-JKSUJKDBSA-N 1 1 347.390 0.258 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1c(C)nn(C)c1OC ZINC001267219937 837011193 /nfs/dbraw/zinc/01/11/93/837011193.db2.gz CHNXAXNJCNUMID-LBPRGKRZSA-N 1 1 337.424 0.089 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1c(C)nn(C)c1OC ZINC001267219937 837011204 /nfs/dbraw/zinc/01/12/04/837011204.db2.gz CHNXAXNJCNUMID-LBPRGKRZSA-N 1 1 337.424 0.089 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnn2ccc(C)nc12 ZINC001267226024 837024661 /nfs/dbraw/zinc/02/46/61/837024661.db2.gz KRSZRDVSDJXRFI-CYBMUJFWSA-N 1 1 344.419 0.390 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn2ccc(C)nc12 ZINC001267226024 837024675 /nfs/dbraw/zinc/02/46/75/837024675.db2.gz KRSZRDVSDJXRFI-CYBMUJFWSA-N 1 1 344.419 0.390 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccc2oc(C)nc21 ZINC001267233794 837039599 /nfs/dbraw/zinc/03/95/99/837039599.db2.gz XQRDBYLQPXXCCK-LBPRGKRZSA-N 1 1 342.399 0.936 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccc2oc(C)nc21 ZINC001267233794 837039608 /nfs/dbraw/zinc/03/96/08/837039608.db2.gz XQRDBYLQPXXCCK-LBPRGKRZSA-N 1 1 342.399 0.936 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1cccnc1 ZINC001267234693 837040765 /nfs/dbraw/zinc/04/07/65/837040765.db2.gz LOSOBRUVUVXGJL-UHFFFAOYSA-N 1 1 333.392 0.145 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1cccnc1 ZINC001267234693 837040778 /nfs/dbraw/zinc/04/07/78/837040778.db2.gz LOSOBRUVUVXGJL-UHFFFAOYSA-N 1 1 333.392 0.145 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(OC(C)C)cn1 ZINC001267234607 837041435 /nfs/dbraw/zinc/04/14/35/837041435.db2.gz OHNNTCNPZFSLLI-AWEZNQCLSA-N 1 1 346.431 0.668 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc(OC(C)C)cn1 ZINC001267234607 837041442 /nfs/dbraw/zinc/04/14/42/837041442.db2.gz OHNNTCNPZFSLLI-AWEZNQCLSA-N 1 1 346.431 0.668 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2ccc(OC)nc2)C1=O ZINC001267244838 837056568 /nfs/dbraw/zinc/05/65/68/837056568.db2.gz SHGYLBUXHZRYIK-OAHLLOKOSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1COc2ccccc2C1 ZINC001267245649 837060022 /nfs/dbraw/zinc/06/00/22/837060022.db2.gz PHRKQZNBPMHLNI-MRXNPFEDSA-N 1 1 343.427 0.425 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1COc2ccccc2C1 ZINC001267245649 837060036 /nfs/dbraw/zinc/06/00/36/837060036.db2.gz PHRKQZNBPMHLNI-MRXNPFEDSA-N 1 1 343.427 0.425 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001267246474 837060374 /nfs/dbraw/zinc/06/03/74/837060374.db2.gz ARWILAGMOWGDTN-UONOGXRCSA-N 1 1 338.452 0.032 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001267246474 837060387 /nfs/dbraw/zinc/06/03/87/837060387.db2.gz ARWILAGMOWGDTN-UONOGXRCSA-N 1 1 338.452 0.032 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cn2c(n1)C[C@H](OC)CC2 ZINC001267246246 837060656 /nfs/dbraw/zinc/06/06/56/837060656.db2.gz UJEBZNVTIBSEFM-OAHLLOKOSA-N 1 1 348.447 0.546 20 30 ECEDMO CC[N@H+](CCNC(=O)C1(C(N)=O)CC1)Cc1cc(C#N)ccc1OC ZINC001267249119 837066303 /nfs/dbraw/zinc/06/63/03/837066303.db2.gz OGEQRWSFGHPJND-UHFFFAOYSA-N 1 1 344.415 0.770 20 30 ECEDMO CC[N@@H+](CCNC(=O)C1(C(N)=O)CC1)Cc1cc(C#N)ccc1OC ZINC001267249119 837066314 /nfs/dbraw/zinc/06/63/14/837066314.db2.gz OGEQRWSFGHPJND-UHFFFAOYSA-N 1 1 344.415 0.770 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cnn2cc[nH]c12 ZINC001267255198 837075525 /nfs/dbraw/zinc/07/55/25/837075525.db2.gz UAJNDLKWXVIQSB-GFCCVEGCSA-N 1 1 332.408 0.405 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cnn2cc[nH]c12 ZINC001267255198 837075528 /nfs/dbraw/zinc/07/55/28/837075528.db2.gz UAJNDLKWXVIQSB-GFCCVEGCSA-N 1 1 332.408 0.405 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001267255755 837078183 /nfs/dbraw/zinc/07/81/83/837078183.db2.gz BJCXNSNHXGTQCH-UHFFFAOYSA-N 1 1 342.403 0.067 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001267255755 837078191 /nfs/dbraw/zinc/07/81/91/837078191.db2.gz BJCXNSNHXGTQCH-UHFFFAOYSA-N 1 1 342.403 0.067 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001267256173 837081303 /nfs/dbraw/zinc/08/13/03/837081303.db2.gz ZMFZHUZOPJRMMM-DLBZAZTESA-N 1 1 327.428 0.978 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001267256173 837081310 /nfs/dbraw/zinc/08/13/10/837081310.db2.gz ZMFZHUZOPJRMMM-DLBZAZTESA-N 1 1 327.428 0.978 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cnc(CC)s1 ZINC001267256954 837081495 /nfs/dbraw/zinc/08/14/95/837081495.db2.gz JNMFGUDUTQGNLO-GFCCVEGCSA-N 1 1 336.461 0.895 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cnc(CC)s1 ZINC001267256954 837081498 /nfs/dbraw/zinc/08/14/98/837081498.db2.gz JNMFGUDUTQGNLO-GFCCVEGCSA-N 1 1 336.461 0.895 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cccc2oc(C)nc21)CC(=O)NCC#N ZINC001267257162 837083469 /nfs/dbraw/zinc/08/34/69/837083469.db2.gz PYARRLPHYFQFLF-UHFFFAOYSA-N 1 1 343.387 0.828 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cccc2oc(C)nc21)CC(=O)NCC#N ZINC001267257162 837083476 /nfs/dbraw/zinc/08/34/76/837083476.db2.gz PYARRLPHYFQFLF-UHFFFAOYSA-N 1 1 343.387 0.828 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)Cc2nnc(C)o2)C1=O ZINC001267266863 837103222 /nfs/dbraw/zinc/10/32/22/837103222.db2.gz MNGDCNCBLKXGHI-ZIAGYGMSSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)Cc2nnc(C)o2)C1=O ZINC001267266863 837103226 /nfs/dbraw/zinc/10/32/26/837103226.db2.gz MNGDCNCBLKXGHI-ZIAGYGMSSA-N 1 1 347.419 0.288 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001267266327 837104083 /nfs/dbraw/zinc/10/40/83/837104083.db2.gz CYUHWMBRXLJBOC-HZPDHXFCSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001267266327 837104085 /nfs/dbraw/zinc/10/40/85/837104085.db2.gz CYUHWMBRXLJBOC-HZPDHXFCSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1CC(=O)NCC(C)C ZINC001267271009 837112644 /nfs/dbraw/zinc/11/26/44/837112644.db2.gz ZHZQGYCTMXZKGD-IRXDYDNUSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1CC(=O)NCC(C)C ZINC001267271009 837112646 /nfs/dbraw/zinc/11/26/46/837112646.db2.gz ZHZQGYCTMXZKGD-IRXDYDNUSA-N 1 1 348.491 0.437 20 30 ECEDMO C=CCCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001267273998 837116039 /nfs/dbraw/zinc/11/60/39/837116039.db2.gz JLRUMFPTFDVOMH-AWEZNQCLSA-N 1 1 336.436 0.912 20 30 ECEDMO C=CCCCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001267273998 837116046 /nfs/dbraw/zinc/11/60/46/837116046.db2.gz JLRUMFPTFDVOMH-AWEZNQCLSA-N 1 1 336.436 0.912 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCc1ccnc(C)n1 ZINC001267274556 837119020 /nfs/dbraw/zinc/11/90/20/837119020.db2.gz AOULLAQICAXVBQ-INIZCTEOSA-N 1 1 345.447 0.600 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccnc(C)n1 ZINC001267274556 837119021 /nfs/dbraw/zinc/11/90/21/837119021.db2.gz AOULLAQICAXVBQ-INIZCTEOSA-N 1 1 345.447 0.600 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn2cccnc12 ZINC001267276636 837120762 /nfs/dbraw/zinc/12/07/62/837120762.db2.gz PDJZHQDMGBWNOC-ZDUSSCGKSA-N 1 1 342.403 0.226 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn2cccnc12 ZINC001267276636 837120766 /nfs/dbraw/zinc/12/07/66/837120766.db2.gz PDJZHQDMGBWNOC-ZDUSSCGKSA-N 1 1 342.403 0.226 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001267278303 837122474 /nfs/dbraw/zinc/12/24/74/837122474.db2.gz IMEAUJCQPRDWHK-HNNXBMFYSA-N 1 1 345.447 0.337 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cncnc1CC ZINC001267281621 837128831 /nfs/dbraw/zinc/12/88/31/837128831.db2.gz KQVQIPXXQKCEDV-UONOGXRCSA-N 1 1 343.431 0.371 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cncnc1CC ZINC001267281621 837128839 /nfs/dbraw/zinc/12/88/39/837128839.db2.gz KQVQIPXXQKCEDV-UONOGXRCSA-N 1 1 343.431 0.371 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC001267281735 837130558 /nfs/dbraw/zinc/13/05/58/837130558.db2.gz KYAWAHSFWDGPPL-GFCCVEGCSA-N 1 1 342.827 0.652 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC001267281735 837130559 /nfs/dbraw/zinc/13/05/59/837130559.db2.gz KYAWAHSFWDGPPL-GFCCVEGCSA-N 1 1 342.827 0.652 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267287833 837138253 /nfs/dbraw/zinc/13/82/53/837138253.db2.gz LCVOLUBACMIHMA-STQMWFEESA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001267289199 837139960 /nfs/dbraw/zinc/13/99/60/837139960.db2.gz YNHJVEOVJWYHMU-KBPBESRZSA-N 1 1 347.419 0.444 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001267289199 837139964 /nfs/dbraw/zinc/13/99/64/837139964.db2.gz YNHJVEOVJWYHMU-KBPBESRZSA-N 1 1 347.419 0.444 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](CNC(=O)C#CC(C)C)C1 ZINC001267293427 837148213 /nfs/dbraw/zinc/14/82/13/837148213.db2.gz SFSWQFBNUWNZBW-INIZCTEOSA-N 1 1 332.448 0.846 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001267295428 837149455 /nfs/dbraw/zinc/14/94/55/837149455.db2.gz WGEBURGAJNITHI-VXGBXAGGSA-N 1 1 328.363 0.500 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001267295428 837149459 /nfs/dbraw/zinc/14/94/59/837149459.db2.gz WGEBURGAJNITHI-VXGBXAGGSA-N 1 1 328.363 0.500 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001267298502 837160059 /nfs/dbraw/zinc/16/00/59/837160059.db2.gz OFNBZJOZHUPOPQ-YJBOKZPZSA-N 1 1 349.475 0.769 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(OCC)c2)C1 ZINC001267302721 837167809 /nfs/dbraw/zinc/16/78/09/837167809.db2.gz HCDMSBPAKPERSF-OAHLLOKOSA-N 1 1 343.427 0.886 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)C(=O)N2CCC(C)CC2)C1 ZINC001267303599 837168990 /nfs/dbraw/zinc/16/89/90/837168990.db2.gz PMEGDJQFVRFVGI-MRXNPFEDSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(C)nn2CC)C1 ZINC001267302952 837169957 /nfs/dbraw/zinc/16/99/57/837169957.db2.gz JBCIRIFWIJQXGE-HUUCEWRRSA-N 1 1 345.447 0.401 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267303823 837171424 /nfs/dbraw/zinc/17/14/24/837171424.db2.gz RZCSVGHWJWIGAD-INIZCTEOSA-N 1 1 336.480 0.459 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2OCC)C1 ZINC001267304887 837174945 /nfs/dbraw/zinc/17/49/45/837174945.db2.gz FGIGKUKXEYHMSQ-OAHLLOKOSA-N 1 1 343.427 0.886 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001267307870 837181195 /nfs/dbraw/zinc/18/11/95/837181195.db2.gz XLNSZCCACAZZKD-CYBMUJFWSA-N 1 1 345.447 0.508 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(CF)cc2)C1 ZINC001267308748 837183477 /nfs/dbraw/zinc/18/34/77/837183477.db2.gz FZTFVOJTNCUJBA-CQSZACIVSA-N 1 1 332.379 0.848 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CF)cc2)C1 ZINC001267308748 837183483 /nfs/dbraw/zinc/18/34/83/837183483.db2.gz FZTFVOJTNCUJBA-CQSZACIVSA-N 1 1 332.379 0.848 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1ccc(C#N)[nH]1)[C@H]1CCC(=O)NC1=O ZINC001267312679 837188236 /nfs/dbraw/zinc/18/82/36/837188236.db2.gz KEPYRNFBDWIYDD-ZDUSSCGKSA-N 1 1 331.376 0.133 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001267323799 837202076 /nfs/dbraw/zinc/20/20/76/837202076.db2.gz SZLAXKUARBCDOO-LBPRGKRZSA-N 1 1 329.404 0.771 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001267323799 837202087 /nfs/dbraw/zinc/20/20/87/837202087.db2.gz SZLAXKUARBCDOO-LBPRGKRZSA-N 1 1 329.404 0.771 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](CCN1CCCC1=O)C1CC1 ZINC001267327134 837205738 /nfs/dbraw/zinc/20/57/38/837205738.db2.gz BRWJEXVIFPYDFT-KRWDZBQOSA-N 1 1 346.475 0.287 20 30 ECEDMO CC#CC[N@@H+](CCCNC(=O)CCn1cc[nH]c(=O)c1=O)C(C)C ZINC001267329061 837209498 /nfs/dbraw/zinc/20/94/98/837209498.db2.gz RECPXCNIJBSEJW-UHFFFAOYSA-N 1 1 334.420 0.167 20 30 ECEDMO CN1CC[C@H]([NH2+][C@H](CNC(=O)CSCC#N)c2ccccc2)C1=O ZINC001267350552 837237286 /nfs/dbraw/zinc/23/72/86/837237286.db2.gz FKOOABMPMAJTPN-LSDHHAIUSA-N 1 1 346.456 0.921 20 30 ECEDMO CN(CC[NH2+]Cc1nnnn1C(C)(C)C)C(=O)c1cc(C#N)c[nH]1 ZINC001267361354 837251808 /nfs/dbraw/zinc/25/18/08/837251808.db2.gz XJJHMZFEKFUNSF-UHFFFAOYSA-N 1 1 330.396 0.490 20 30 ECEDMO CN(C)Cc1ccsc1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001267379788 837299112 /nfs/dbraw/zinc/29/91/12/837299112.db2.gz HIXZDFDDJGABHG-UHFFFAOYSA-N 1 1 337.449 0.111 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC001267579925 837839907 /nfs/dbraw/zinc/83/99/07/837839907.db2.gz NTYWQHWFHWZFCW-CABCVRRESA-N 1 1 336.436 0.366 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)Nc2ccon2)C1 ZINC001267584117 837853983 /nfs/dbraw/zinc/85/39/83/837853983.db2.gz YGHDPXZDDCEEFP-CQSZACIVSA-N 1 1 348.403 0.433 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](C[N@H+](C)CC(=O)Nc2ccon2)C1 ZINC001267584117 837853989 /nfs/dbraw/zinc/85/39/89/837853989.db2.gz YGHDPXZDDCEEFP-CQSZACIVSA-N 1 1 348.403 0.433 20 30 ECEDMO CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC#CCOC)C1 ZINC001267586761 837864351 /nfs/dbraw/zinc/86/43/51/837864351.db2.gz ZCLWJAFWLJTMAD-DLBZAZTESA-N 1 1 337.464 0.137 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001267588807 837871990 /nfs/dbraw/zinc/87/19/90/837871990.db2.gz JPPUYSKPAQESSF-CRAIPNDOSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001267591563 837882809 /nfs/dbraw/zinc/88/28/09/837882809.db2.gz GGKVBCLZFDNPPX-BQFCYCMXSA-N 1 1 347.459 0.497 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001267594107 837894523 /nfs/dbraw/zinc/89/45/23/837894523.db2.gz YXYRZDFTMKRYJX-GJZGRUSLSA-N 1 1 342.443 0.934 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)nc1 ZINC001267594514 837896811 /nfs/dbraw/zinc/89/68/11/837896811.db2.gz INNWFMXCSGQEFC-DZGCQCFKSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C[N@H+](C)C[C@H](O)COC)CC1 ZINC001267599392 837911644 /nfs/dbraw/zinc/91/16/44/837911644.db2.gz MYNLLSGAKVZTAR-ZBFHGGJFSA-N 1 1 326.437 0.202 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2csc(C)n2)C1 ZINC001267600040 837915368 /nfs/dbraw/zinc/91/53/68/837915368.db2.gz BJKBJRYKTOYSDK-AWEZNQCLSA-N 1 1 348.472 0.572 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCC[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001267605078 837939428 /nfs/dbraw/zinc/93/94/28/837939428.db2.gz KYROMPGKNGVQMA-KGLIPLIRSA-N 1 1 340.468 0.459 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)Cc2cnn3c2CCCC3)CC1 ZINC001267607519 837951456 /nfs/dbraw/zinc/95/14/56/837951456.db2.gz LEFPZGOEPNQQNF-UHFFFAOYSA-N 1 1 343.475 0.471 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)Cc2cnn3c2CCCC3)CC1 ZINC001267607519 837951463 /nfs/dbraw/zinc/95/14/63/837951463.db2.gz LEFPZGOEPNQQNF-UHFFFAOYSA-N 1 1 343.475 0.471 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCc3cncn3C2)CC1 ZINC001267608780 837959383 /nfs/dbraw/zinc/95/93/83/837959383.db2.gz COWQRLVQCFPRRM-KRWDZBQOSA-N 1 1 343.475 0.545 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)C2CC3(CC3)C2)CC1 ZINC001267612410 837980678 /nfs/dbraw/zinc/98/06/78/837980678.db2.gz JIJHKXAOABHDIK-UHFFFAOYSA-N 1 1 333.476 0.902 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625311 838074780 /nfs/dbraw/zinc/07/47/80/838074780.db2.gz HTEVVTRLYQMIHY-VXGBXAGGSA-N 1 1 337.453 0.308 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625311 838074793 /nfs/dbraw/zinc/07/47/93/838074793.db2.gz HTEVVTRLYQMIHY-VXGBXAGGSA-N 1 1 337.453 0.308 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001267639178 838118290 /nfs/dbraw/zinc/11/82/90/838118290.db2.gz ZPXQDOMAFHKHEV-NVXWUHKLSA-N 1 1 342.443 0.542 20 30 ECEDMO C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC2(CS(C)(=O)=O)CC2)C1 ZINC001267653062 838156406 /nfs/dbraw/zinc/15/64/06/838156406.db2.gz KAMGREQVHKZIMH-AWEZNQCLSA-N 1 1 326.462 0.615 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CC2(CS(C)(=O)=O)CC2)C1 ZINC001267653062 838156409 /nfs/dbraw/zinc/15/64/09/838156409.db2.gz KAMGREQVHKZIMH-AWEZNQCLSA-N 1 1 326.462 0.615 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCNC(=O)C2CC2)C1 ZINC001267653517 838157579 /nfs/dbraw/zinc/15/75/79/838157579.db2.gz VERDNAPOUHFYPL-MRXNPFEDSA-N 1 1 349.475 0.723 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001267680358 838238064 /nfs/dbraw/zinc/23/80/64/838238064.db2.gz KJPDRETUAKLTEO-CYBMUJFWSA-N 1 1 348.451 0.290 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001267683003 838242848 /nfs/dbraw/zinc/24/28/48/838242848.db2.gz HORMNCMSNWBDNJ-UHFFFAOYSA-N 1 1 342.399 0.883 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001267692388 838267297 /nfs/dbraw/zinc/26/72/97/838267297.db2.gz DUYFRVMMAVLJFQ-SECBINFHSA-N 1 1 341.362 0.700 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001267705680 838310590 /nfs/dbraw/zinc/31/05/90/838310590.db2.gz JDZNSDNGXYJDJB-IKGGRYGDSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001267705680 838310600 /nfs/dbraw/zinc/31/06/00/838310600.db2.gz JDZNSDNGXYJDJB-IKGGRYGDSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001267714739 838346016 /nfs/dbraw/zinc/34/60/16/838346016.db2.gz OZYKMSBVOHSGJB-HOCLYGCPSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2OCC)CC1 ZINC001267719143 838368892 /nfs/dbraw/zinc/36/88/92/838368892.db2.gz XVBVLNBWQSHXSJ-HZPDHXFCSA-N 1 1 335.448 0.331 20 30 ECEDMO Cc1nn(C)cc1C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267719164 838369004 /nfs/dbraw/zinc/36/90/04/838369004.db2.gz YEMVJFORYGACOY-UHFFFAOYSA-N 1 1 346.435 0.152 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CCn2c(C)csc2=O)C1 ZINC001267722835 838375606 /nfs/dbraw/zinc/37/56/06/838375606.db2.gz OJQBCRYKFQVIIG-BBRMVZONSA-N 1 1 339.461 0.736 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](CCn2c(C)csc2=O)C1 ZINC001267722835 838375608 /nfs/dbraw/zinc/37/56/08/838375608.db2.gz OJQBCRYKFQVIIG-BBRMVZONSA-N 1 1 339.461 0.736 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001267722899 838377849 /nfs/dbraw/zinc/37/78/49/838377849.db2.gz QYDQOFDYUJAPID-CABCVRRESA-N 1 1 341.477 0.118 20 30 ECEDMO CC#CC[N@@H+](C)CC1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC001267733695 838423622 /nfs/dbraw/zinc/42/36/22/838423622.db2.gz ZIPXTWPMCOJUOW-UHFFFAOYSA-N 1 1 333.432 0.719 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)COc3cc(C)on3)C2)C1=O ZINC001267744745 838449365 /nfs/dbraw/zinc/44/93/65/838449365.db2.gz YCLAOUSJWUORRO-ZIAGYGMSSA-N 1 1 348.403 0.339 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)COc3cc(C)on3)C2)C1=O ZINC001267744745 838449368 /nfs/dbraw/zinc/44/93/68/838449368.db2.gz YCLAOUSJWUORRO-ZIAGYGMSSA-N 1 1 348.403 0.339 20 30 ECEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267745051 838449503 /nfs/dbraw/zinc/44/95/03/838449503.db2.gz SOVIEUPGMPYFKR-CQSZACIVSA-N 1 1 334.420 0.886 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)COCc2ccncc2)C1 ZINC001267750493 838470160 /nfs/dbraw/zinc/47/01/60/838470160.db2.gz ARWMQYRLKWBBEB-GDBMZVCRSA-N 1 1 346.431 0.479 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)COCc2ccncc2)C1 ZINC001267750493 838470166 /nfs/dbraw/zinc/47/01/66/838470166.db2.gz ARWMQYRLKWBBEB-GDBMZVCRSA-N 1 1 346.431 0.479 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001267751132 838470880 /nfs/dbraw/zinc/47/08/80/838470880.db2.gz XGNVIMQAMILHFT-OFLPRAFFSA-N 1 1 349.475 0.721 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001267751132 838470883 /nfs/dbraw/zinc/47/08/83/838470883.db2.gz XGNVIMQAMILHFT-OFLPRAFFSA-N 1 1 349.475 0.721 20 30 ECEDMO CN(C(=O)CSCC#N)[C@@H]1CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001267756911 838481998 /nfs/dbraw/zinc/48/19/98/838481998.db2.gz OXWKOWUJGIRWDA-ZIAGYGMSSA-N 1 1 338.477 0.692 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC001267762512 838491855 /nfs/dbraw/zinc/49/18/55/838491855.db2.gz RAEWFNNHJALXDT-CVEARBPZSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC001267762512 838491858 /nfs/dbraw/zinc/49/18/58/838491858.db2.gz RAEWFNNHJALXDT-CVEARBPZSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnnc2)C1 ZINC001267773637 838534613 /nfs/dbraw/zinc/53/46/13/838534613.db2.gz PCHWTEXGVPWYBV-MRXNPFEDSA-N 1 1 343.431 0.824 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnnc2)C1 ZINC001267773637 838534617 /nfs/dbraw/zinc/53/46/17/838534617.db2.gz PCHWTEXGVPWYBV-MRXNPFEDSA-N 1 1 343.431 0.824 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001267778563 838548093 /nfs/dbraw/zinc/54/80/93/838548093.db2.gz CZNSGDBUXNMEML-PSTFYZFSSA-N 1 1 329.444 0.561 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001267778563 838548097 /nfs/dbraw/zinc/54/80/97/838548097.db2.gz CZNSGDBUXNMEML-PSTFYZFSSA-N 1 1 329.444 0.561 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)NC(=O)CC)C1 ZINC001267785864 838561984 /nfs/dbraw/zinc/56/19/84/838561984.db2.gz IFRBJMGEGDIMOL-KGLIPLIRSA-N 1 1 338.452 0.126 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)NC(=O)CC)C1 ZINC001267785864 838561986 /nfs/dbraw/zinc/56/19/86/838561986.db2.gz IFRBJMGEGDIMOL-KGLIPLIRSA-N 1 1 338.452 0.126 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CN2CCCS2(=O)=O)C1 ZINC001267787063 838564056 /nfs/dbraw/zinc/56/40/56/838564056.db2.gz UYFWHRDUPAOHIV-CQSZACIVSA-N 1 1 329.466 0.521 20 30 ECEDMO CCN(C(=O)CCCCC(=O)NC)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267794574 838573976 /nfs/dbraw/zinc/57/39/76/838573976.db2.gz PHCGROGMFWHUFD-INIZCTEOSA-N 1 1 337.464 0.865 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCCN2C)CCCC1 ZINC001267834592 838628039 /nfs/dbraw/zinc/62/80/39/838628039.db2.gz WTJXDAIKDOJVMX-GJZGRUSLSA-N 1 1 334.464 0.237 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCCC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001267943995 838834128 /nfs/dbraw/zinc/83/41/28/838834128.db2.gz IVTBPLHSGCYZNB-QGZVFWFLSA-N 1 1 335.452 0.861 20 30 ECEDMO COCC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCNC1=O)CC2 ZINC001267973702 838905505 /nfs/dbraw/zinc/90/55/05/838905505.db2.gz XXZSHJUJEOLGSB-MRXNPFEDSA-N 1 1 347.459 0.477 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC2(CC[N@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001267973686 838906076 /nfs/dbraw/zinc/90/60/76/838906076.db2.gz XMFQOYIYFFWKLA-HZPDHXFCSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001268026205 839027630 /nfs/dbraw/zinc/02/76/30/839027630.db2.gz SSNBXZVURGAZSS-HUUCEWRRSA-N 1 1 338.452 0.560 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CCn1cccn1)CC2 ZINC001268041576 839180832 /nfs/dbraw/zinc/18/08/32/839180832.db2.gz ADJYCRKXVILICJ-UHFFFAOYSA-N 1 1 345.447 0.500 20 30 ECEDMO C#CCCCCC(=O)N1CCC2(C[NH+]([C@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001268043408 839192294 /nfs/dbraw/zinc/19/22/94/839192294.db2.gz JBFPYWSBCINANH-CQSZACIVSA-N 1 1 348.447 0.688 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[N@@H+](C[C@H]3CCNC(=O)CC3)CC2)c[nH]1 ZINC000981006218 839315478 /nfs/dbraw/zinc/31/54/78/839315478.db2.gz OHCDHMHYLQLPIL-CQSZACIVSA-N 1 1 343.431 0.951 20 30 ECEDMO C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccco1 ZINC000331075707 282235548 /nfs/dbraw/zinc/23/55/48/282235548.db2.gz VBNCZAZKJRIFGS-GHMZBOCLSA-N 1 1 330.410 0.159 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000178097642 232079996 /nfs/dbraw/zinc/07/99/96/232079996.db2.gz NIKJIIUVDLYHJX-HNNXBMFYSA-N 1 1 342.399 0.677 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)n2)C1 ZINC001077912791 781931757 /nfs/dbraw/zinc/93/17/57/781931757.db2.gz LVNIOZNNSCXQME-HUUCEWRRSA-N 1 1 342.403 0.403 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189891725 201049410 /nfs/dbraw/zinc/04/94/10/201049410.db2.gz UHJALELYAJOKCS-OLZOCXBDSA-N 1 1 326.441 0.164 20 30 ECEDMO N#Cc1cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1F ZINC000321505519 201075719 /nfs/dbraw/zinc/07/57/19/201075719.db2.gz BDURDXGFXVOOCD-STQMWFEESA-N 1 1 339.392 0.839 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)c1 ZINC001041661695 781943806 /nfs/dbraw/zinc/94/38/06/781943806.db2.gz XKWNLCCHWJSDCR-LPHOPBHVSA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)NCC[NH+]2CCSCC2)c1 ZINC000264888316 201211720 /nfs/dbraw/zinc/21/17/20/201211720.db2.gz SAEWUUSCPMCCSF-UHFFFAOYSA-N 1 1 346.456 0.954 20 30 ECEDMO C#CCCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000264955196 201214335 /nfs/dbraw/zinc/21/43/35/201214335.db2.gz AZXHVELXYCOXDU-UHFFFAOYSA-N 1 1 328.416 0.907 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000266528226 201219732 /nfs/dbraw/zinc/21/97/32/201219732.db2.gz BKELMDJNCWKUNS-CYBMUJFWSA-N 1 1 333.363 0.987 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000268595652 201226911 /nfs/dbraw/zinc/22/69/11/201226911.db2.gz PIWOBUGHDOMWRI-UHFFFAOYSA-N 1 1 342.443 0.844 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCCn2cc[nH+]c2C)C1=O ZINC000269513968 201232856 /nfs/dbraw/zinc/23/28/56/201232856.db2.gz JEVKWFNQMJVJAU-UHFFFAOYSA-N 1 1 347.375 0.017 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 ZINC000269758522 201234087 /nfs/dbraw/zinc/23/40/87/201234087.db2.gz GDJBLYUDUASFMK-CQSZACIVSA-N 1 1 340.449 0.773 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 ZINC000277922947 201306969 /nfs/dbraw/zinc/30/69/69/201306969.db2.gz YEWKYJSODSBPON-LLVKDONJSA-N 1 1 335.408 0.852 20 30 ECEDMO COC[C@H](O)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000127720000 205114666 /nfs/dbraw/zinc/11/46/66/205114666.db2.gz DKEBERGCDWPAKG-GFCCVEGCSA-N 1 1 332.360 0.936 20 30 ECEDMO Cc1nn(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(N)c1C#N ZINC000132344044 205321685 /nfs/dbraw/zinc/32/16/85/205321685.db2.gz OFYHWEVBGPWENT-ZDUSSCGKSA-N 1 1 334.424 0.118 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000159096106 205392605 /nfs/dbraw/zinc/39/26/05/205392605.db2.gz DSAXVJPBEQQERF-CYBMUJFWSA-N 1 1 342.399 0.975 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000159096106 205392608 /nfs/dbraw/zinc/39/26/08/205392608.db2.gz DSAXVJPBEQQERF-CYBMUJFWSA-N 1 1 342.399 0.975 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C#N)n2C)CC1 ZINC000448691702 211257988 /nfs/dbraw/zinc/25/79/88/211257988.db2.gz SRHXKDUGWHVMDN-UHFFFAOYSA-N 1 1 331.420 0.617 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cn1 ZINC000175971265 207177770 /nfs/dbraw/zinc/17/77/70/207177770.db2.gz HTBBNHXUTPGHOB-CYBMUJFWSA-N 1 1 336.417 0.296 20 30 ECEDMO COCC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)[C@H](C)C2)CC1 ZINC000329732880 285008918 /nfs/dbraw/zinc/00/89/18/285008918.db2.gz JELUCESLBJKNLS-GFCCVEGCSA-N 1 1 333.454 0.130 20 30 ECEDMO COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000411903500 208161541 /nfs/dbraw/zinc/16/15/41/208161541.db2.gz KEYMNGISVLQXIQ-ZFWWWQNUSA-N 1 1 344.415 0.922 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000413112678 208283806 /nfs/dbraw/zinc/28/38/06/208283806.db2.gz XKXSVKKRQKUTSW-OAHLLOKOSA-N 1 1 330.388 0.804 20 30 ECEDMO C=C[C@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000291037427 254576153 /nfs/dbraw/zinc/57/61/53/254576153.db2.gz PEHWBUGNPFYBOQ-LSDHHAIUSA-N 1 1 333.436 0.438 20 30 ECEDMO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000329667900 254613772 /nfs/dbraw/zinc/61/37/72/254613772.db2.gz QSWFWGFSPSAGHZ-LOWVWBTDSA-N 1 1 335.495 0.360 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330374017 254634788 /nfs/dbraw/zinc/63/47/88/254634788.db2.gz MGRFJGPRZXIMGC-KBPBESRZSA-N 1 1 330.454 0.310 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000336909082 254658972 /nfs/dbraw/zinc/65/89/72/254658972.db2.gz HEIZFOCEQDKDTA-ZIAGYGMSSA-N 1 1 332.470 0.556 20 30 ECEDMO C#CCCS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000377344001 254757459 /nfs/dbraw/zinc/75/74/59/254757459.db2.gz QPMVRFVIIOFNRD-AGUYFDCRSA-N 1 1 327.450 0.013 20 30 ECEDMO C#CCCS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000377344001 254757461 /nfs/dbraw/zinc/75/74/61/254757461.db2.gz QPMVRFVIIOFNRD-AGUYFDCRSA-N 1 1 327.450 0.013 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000118124399 221124385 /nfs/dbraw/zinc/12/43/85/221124385.db2.gz FBZMOGROZVHMEE-HNNXBMFYSA-N 1 1 330.388 0.724 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001077941371 781981397 /nfs/dbraw/zinc/98/13/97/781981397.db2.gz ICGAMEQFFBNPBT-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001077941371 781981408 /nfs/dbraw/zinc/98/14/08/781981408.db2.gz ICGAMEQFFBNPBT-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000281963275 264000274 /nfs/dbraw/zinc/00/02/74/264000274.db2.gz GHYUGJMTXHAAKX-LSDHHAIUSA-N 1 1 330.432 0.561 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000281963270 264000946 /nfs/dbraw/zinc/00/09/46/264000946.db2.gz GHYUGJMTXHAAKX-GJZGRUSLSA-N 1 1 330.432 0.561 20 30 ECEDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000358999682 266100733 /nfs/dbraw/zinc/10/07/33/266100733.db2.gz ZGVBOZJJZSVZAO-UHFFFAOYSA-N 1 1 341.375 0.145 20 30 ECEDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000375743926 267079222 /nfs/dbraw/zinc/07/92/22/267079222.db2.gz QEYVZHPPZSUMMG-CRAIPNDOSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000285833502 267080077 /nfs/dbraw/zinc/08/00/77/267080077.db2.gz HIAWACOIFYQBTC-CRAIPNDOSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@H](O)COC(=O)CC[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000373819285 267190765 /nfs/dbraw/zinc/19/07/65/267190765.db2.gz KEOJTEOROZGSMW-AWEZNQCLSA-N 1 1 332.404 0.779 20 30 ECEDMO N#Cc1ccc(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000333952305 268144064 /nfs/dbraw/zinc/14/40/64/268144064.db2.gz ZVSNRIIUMWBDID-OAHLLOKOSA-N 1 1 327.388 0.986 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)COC3CCOCC3)C2)nc1 ZINC000292041050 268185271 /nfs/dbraw/zinc/18/52/71/268185271.db2.gz ALICRUJGLVWGCQ-RDJZCZTQSA-N 1 1 347.415 0.963 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000376394455 268192727 /nfs/dbraw/zinc/19/27/27/268192727.db2.gz JICMQCBDZPSRQY-STQMWFEESA-N 1 1 339.417 0.761 20 30 ECEDMO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000367718775 268208890 /nfs/dbraw/zinc/20/88/90/268208890.db2.gz ZWGPXTUDLXHVCJ-OLZOCXBDSA-N 1 1 336.417 0.481 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000284176494 268248620 /nfs/dbraw/zinc/24/86/20/268248620.db2.gz ZEILQCBCTSMBOM-UHFFFAOYSA-N 1 1 326.400 0.729 20 30 ECEDMO N#Cc1cccc(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000333936944 268267692 /nfs/dbraw/zinc/26/76/92/268267692.db2.gz KZYUNDKJRMBYNA-OAHLLOKOSA-N 1 1 327.388 0.986 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000528424208 268301634 /nfs/dbraw/zinc/30/16/34/268301634.db2.gz YFNFARJKQONKHZ-IAGOWNOFSA-N 1 1 331.416 0.704 20 30 ECEDMO N#Cc1ccsc1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000294110209 268306048 /nfs/dbraw/zinc/30/60/48/268306048.db2.gz OFCZVBFQWWPSQP-UHFFFAOYSA-N 1 1 348.428 0.881 20 30 ECEDMO CN1C(=O)NC2(CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)C1=O ZINC000378327079 277016381 /nfs/dbraw/zinc/01/63/81/277016381.db2.gz QOBADCXUJIWQQD-UHFFFAOYSA-N 1 1 347.419 0.345 20 30 ECEDMO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000245562172 277046339 /nfs/dbraw/zinc/04/63/39/277046339.db2.gz OKKGMNOFHSYPQV-IAGOWNOFSA-N 1 1 349.479 0.279 20 30 ECEDMO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000245562172 277046341 /nfs/dbraw/zinc/04/63/41/277046341.db2.gz OKKGMNOFHSYPQV-IAGOWNOFSA-N 1 1 349.479 0.279 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000340213926 437603885 /nfs/dbraw/zinc/60/38/85/437603885.db2.gz SGRFLRKLTJBUGS-PMPSAXMXSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CC[N@H+](CC(=O)NC(N)=O)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343573603 437604567 /nfs/dbraw/zinc/60/45/67/437604567.db2.gz PVQYWRONIGORPI-NSHDSACASA-N 1 1 329.364 0.406 20 30 ECEDMO C=CC[N@@H+](CC(=O)NC(N)=O)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343573603 437604572 /nfs/dbraw/zinc/60/45/72/437604572.db2.gz PVQYWRONIGORPI-NSHDSACASA-N 1 1 329.364 0.406 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000354400637 437605724 /nfs/dbraw/zinc/60/57/24/437605724.db2.gz WBCNVJQUGWDSKB-ZDUSSCGKSA-N 1 1 339.417 0.699 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000354400637 437605731 /nfs/dbraw/zinc/60/57/31/437605731.db2.gz WBCNVJQUGWDSKB-ZDUSSCGKSA-N 1 1 339.417 0.699 20 30 ECEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](N(C)CC(=O)OC(C)(C)C)C1 ZINC000340219791 437606675 /nfs/dbraw/zinc/60/66/75/437606675.db2.gz KSMMLNYVUFAYIN-SOUVJXGZSA-N 1 1 328.453 0.632 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000374424754 289238614 /nfs/dbraw/zinc/23/86/14/289238614.db2.gz RMXWOXHVEIGFRJ-BARDWOONSA-N 1 1 326.466 0.739 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CCCCS2(=O)=O)CCSC1 ZINC000329615290 289399197 /nfs/dbraw/zinc/39/91/97/289399197.db2.gz DDLFGQSIJVQWFV-JSGCOSHPSA-N 1 1 349.522 0.895 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ncnn2C(C)(C)C)C[C@H]1C ZINC000330434134 290086783 /nfs/dbraw/zinc/08/67/83/290086783.db2.gz XXMADJAHCHOMLU-OLZOCXBDSA-N 1 1 338.456 0.834 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000072767518 436054538 /nfs/dbraw/zinc/05/45/38/436054538.db2.gz ACCDGLMQAXRQBB-INIZCTEOSA-N 1 1 333.436 0.439 20 30 ECEDMO N#CCN1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000073851883 436094972 /nfs/dbraw/zinc/09/49/72/436094972.db2.gz WPXAIOIYQPVVMU-GOSISDBHSA-N 1 1 342.443 0.945 20 30 ECEDMO N#CCN1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000073851883 436094979 /nfs/dbraw/zinc/09/49/79/436094979.db2.gz WPXAIOIYQPVVMU-GOSISDBHSA-N 1 1 342.443 0.945 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCN(CCN3C(=O)CNC3=O)CC2)cc1 ZINC000075608579 436167074 /nfs/dbraw/zinc/16/70/74/436167074.db2.gz NQVBOBGEPRQJDP-UHFFFAOYSA-N 1 1 327.388 0.228 20 30 ECEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)CN1CC[NH+](C)CC1 ZINC000075680514 436173189 /nfs/dbraw/zinc/17/31/89/436173189.db2.gz PAYVWOQSXPKHKX-UHFFFAOYSA-N 1 1 330.432 0.781 20 30 ECEDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000075862509 436179498 /nfs/dbraw/zinc/17/94/98/436179498.db2.gz UZEQOLNTPXNQPZ-LLVKDONJSA-N 1 1 334.342 0.749 20 30 ECEDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000075862509 436179503 /nfs/dbraw/zinc/17/95/03/436179503.db2.gz UZEQOLNTPXNQPZ-LLVKDONJSA-N 1 1 334.342 0.749 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000041923677 436289378 /nfs/dbraw/zinc/28/93/78/436289378.db2.gz HHGBUALQGONPNY-UHFFFAOYSA-N 1 1 348.403 0.612 20 30 ECEDMO CC(=O)NCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043141141 436328043 /nfs/dbraw/zinc/32/80/43/436328043.db2.gz DEPAZNXZFUSZEQ-UHFFFAOYSA-N 1 1 343.431 0.912 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc(C#N)cn2C)CC1 ZINC000081012710 436333945 /nfs/dbraw/zinc/33/39/45/436333945.db2.gz VQXMPZNVCZVNBZ-UHFFFAOYSA-N 1 1 331.420 0.617 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000046449295 436395346 /nfs/dbraw/zinc/39/53/46/436395346.db2.gz AIUWUUBIIDVSSK-UHFFFAOYSA-N 1 1 328.416 0.817 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCCC)C2)CC1 ZINC000081669063 436355421 /nfs/dbraw/zinc/35/54/21/436355421.db2.gz MITWFLYVMNEOIB-MRXNPFEDSA-N 1 1 334.464 0.002 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000091229004 436445819 /nfs/dbraw/zinc/44/58/19/436445819.db2.gz JFVCHDGSTHCHBW-CYBMUJFWSA-N 1 1 332.408 0.875 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942876 436421759 /nfs/dbraw/zinc/42/17/59/436421759.db2.gz JQUJCHFSNTZTON-GFCCVEGCSA-N 1 1 331.424 0.736 20 30 ECEDMO N#Cc1ccc(N2CCC[N@H+](CC(=O)N3CCNC3=O)CC2)cc1 ZINC000052799765 436517638 /nfs/dbraw/zinc/51/76/38/436517638.db2.gz ZXJUHXQYXITVGX-UHFFFAOYSA-N 1 1 327.388 0.622 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000050143280 436473418 /nfs/dbraw/zinc/47/34/18/436473418.db2.gz RMIWRDOYDRXCPF-UHFFFAOYSA-N 1 1 346.387 0.344 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCC)CC2)cc1 ZINC000055170825 436568240 /nfs/dbraw/zinc/56/82/40/436568240.db2.gz XUBFOQDDSVZXNM-UHFFFAOYSA-N 1 1 349.456 0.766 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccccc2OCC#N)CC1 ZINC000109309024 436624432 /nfs/dbraw/zinc/62/44/32/436624432.db2.gz UUAOMGYOYZUDEG-UHFFFAOYSA-N 1 1 344.415 0.871 20 30 ECEDMO C#CCNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000056455013 436593182 /nfs/dbraw/zinc/59/31/82/436593182.db2.gz PYUXBDQUBJCWBV-UHFFFAOYSA-N 1 1 344.415 0.780 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000111592778 436632027 /nfs/dbraw/zinc/63/20/27/436632027.db2.gz YXJNVXDIWOJPFA-UHFFFAOYSA-N 1 1 345.422 0.593 20 30 ECEDMO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC000060893249 436635052 /nfs/dbraw/zinc/63/50/52/436635052.db2.gz LMNNBNQNDBQRQD-UHFFFAOYSA-N 1 1 349.479 0.281 20 30 ECEDMO CC1(C)NC(=O)N(CCCO[NH+]=C(N)c2ccc3c(c2)CCO3)C1=O ZINC000270193918 436673444 /nfs/dbraw/zinc/67/34/44/436673444.db2.gz BAPYYYPIXUGMOZ-UHFFFAOYSA-N 1 1 346.387 0.979 20 30 ECEDMO C[C@@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000152780545 436739581 /nfs/dbraw/zinc/73/95/81/436739581.db2.gz OKKCHCJLXUIDTH-CYBMUJFWSA-N 1 1 330.388 0.412 20 30 ECEDMO CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000123885509 436744923 /nfs/dbraw/zinc/74/49/23/436744923.db2.gz LMZDUUMLNPUXBL-UHFFFAOYSA-N 1 1 332.408 0.535 20 30 ECEDMO C=CC[C@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000273448229 436755214 /nfs/dbraw/zinc/75/52/14/436755214.db2.gz XLRVHAOPSCTBKZ-JKSUJKDBSA-N 1 1 347.463 0.828 20 30 ECEDMO C[N@H+]1CC[C@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 ZINC000272482478 436717794 /nfs/dbraw/zinc/71/77/94/436717794.db2.gz RWXQQDNPFFIHDU-HOCLYGCPSA-N 1 1 326.400 0.841 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246002498 436770010 /nfs/dbraw/zinc/77/00/10/436770010.db2.gz JIKLYUPWTSNHAH-DLBZAZTESA-N 1 1 333.480 0.459 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000293390248 436873336 /nfs/dbraw/zinc/87/33/36/436873336.db2.gz NOXPBVAUUAPCER-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000249690477 436826764 /nfs/dbraw/zinc/82/67/64/436826764.db2.gz QODXDSRGKHSYOR-UONOGXRCSA-N 1 1 338.452 0.572 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000293840690 436913862 /nfs/dbraw/zinc/91/38/62/436913862.db2.gz QLRCKSMBGYXRGQ-UHFFFAOYSA-N 1 1 325.390 0.969 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000293926046 436920550 /nfs/dbraw/zinc/92/05/50/436920550.db2.gz YJEJBZAOEITBON-UHFFFAOYSA-N 1 1 341.389 0.837 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)NC[C@](C)(O)c1cccs1 ZINC000261733823 436884789 /nfs/dbraw/zinc/88/47/89/436884789.db2.gz LVGYFPPUKZILLD-BBRMVZONSA-N 1 1 337.493 0.120 20 30 ECEDMO Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@@H](N3CC=CC3)C2)n1C ZINC000262012275 436902560 /nfs/dbraw/zinc/90/25/60/436902560.db2.gz WWQQYMXVGYLTJO-OAHLLOKOSA-N 1 1 329.452 0.678 20 30 ECEDMO C#CCNC(=O)CCN1CC[N@@H+](CCC(=O)NCC#C)[C@H](CCC)C1 ZINC000293799471 436909263 /nfs/dbraw/zinc/90/92/63/436909263.db2.gz NFCHZDRJUXUMEE-QGZVFWFLSA-N 1 1 346.475 0.052 20 30 ECEDMO C#CCNC(=O)CCN1CC[N@@H+](CCC(=O)NCC#C)C[C@H]1CCC ZINC000293799471 436909267 /nfs/dbraw/zinc/90/92/67/436909267.db2.gz NFCHZDRJUXUMEE-QGZVFWFLSA-N 1 1 346.475 0.052 20 30 ECEDMO C#CCNC(=O)CCN1CC[N@H+](CCC(=O)NCC#C)C[C@H]1CCC ZINC000293799471 436909271 /nfs/dbraw/zinc/90/92/71/436909271.db2.gz NFCHZDRJUXUMEE-QGZVFWFLSA-N 1 1 346.475 0.052 20 30 ECEDMO C#CCO[C@H](C)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000295402286 436967813 /nfs/dbraw/zinc/96/78/13/436967813.db2.gz USACFCVGPPSOFA-OAHLLOKOSA-N 1 1 343.427 0.980 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000280873904 436928841 /nfs/dbraw/zinc/92/88/41/436928841.db2.gz AREMRATWJALQEQ-RMKNXTFCSA-N 1 1 347.440 0.515 20 30 ECEDMO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CC[C@H](N2CC=CC2)C1 ZINC000262754848 436942259 /nfs/dbraw/zinc/94/22/59/436942259.db2.gz DCRJSSBGKXUDEE-CVEARBPZSA-N 1 1 343.479 0.670 20 30 ECEDMO C[C@@H]1CCCN(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264129064 437017278 /nfs/dbraw/zinc/01/72/78/437017278.db2.gz XHBRJHJPEWGSGX-OAHLLOKOSA-N 1 1 331.468 0.645 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000284064720 437035371 /nfs/dbraw/zinc/03/53/71/437035371.db2.gz MWDHNYOECPIQDE-UHFFFAOYSA-N 1 1 346.431 0.601 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000263788555 436987434 /nfs/dbraw/zinc/98/74/34/436987434.db2.gz RHOUINIWXKNOJU-UHFFFAOYSA-N 1 1 346.435 0.363 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000296565769 436993485 /nfs/dbraw/zinc/99/34/85/436993485.db2.gz XHSPNXOLBDNQMR-NSHDSACASA-N 1 1 334.342 0.404 20 30 ECEDMO C#Cc1ccc(CNC(=O)NC2CC[NH+](CC(=O)NC)CC2)cc1 ZINC000296609117 436994733 /nfs/dbraw/zinc/99/47/33/436994733.db2.gz PEMGHXGRZFCNKR-UHFFFAOYSA-N 1 1 328.416 0.678 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000296903114 436998651 /nfs/dbraw/zinc/99/86/51/436998651.db2.gz NDZJFMBAWIUAGH-UHFFFAOYSA-N 1 1 340.431 0.740 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000296777501 436998977 /nfs/dbraw/zinc/99/89/77/436998977.db2.gz GSADHYUCMYGRPQ-LBPRGKRZSA-N 1 1 348.369 0.794 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000284122240 437041711 /nfs/dbraw/zinc/04/17/11/437041711.db2.gz VJXRURULIFGKMS-ZDUSSCGKSA-N 1 1 332.404 0.430 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000299479547 437082245 /nfs/dbraw/zinc/08/22/45/437082245.db2.gz BCDWCWJTUXIFKS-UHFFFAOYSA-N 1 1 339.403 0.990 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000170812277 303195946 /nfs/dbraw/zinc/19/59/46/303195946.db2.gz DMNMPNZNXVQYPP-DLBZAZTESA-N 1 1 331.416 0.704 20 30 ECEDMO COc1cc2[nH+]c(NCCn3cnc(C#N)n3)nc(N)c2cc1OC ZINC000286183924 437087308 /nfs/dbraw/zinc/08/73/08/437087308.db2.gz ACLFJKTYISLRCD-UHFFFAOYSA-N 1 1 340.347 0.804 20 30 ECEDMO N#Cc1ncn(CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000287030891 437154278 /nfs/dbraw/zinc/15/42/78/437154278.db2.gz WASISMHKWYGBQS-OAHLLOKOSA-N 1 1 340.387 0.167 20 30 ECEDMO N#Cc1ncn(CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000287030891 437154283 /nfs/dbraw/zinc/15/42/83/437154283.db2.gz WASISMHKWYGBQS-OAHLLOKOSA-N 1 1 340.387 0.167 20 30 ECEDMO C[N@H+](CCC#N)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000177189603 437172726 /nfs/dbraw/zinc/17/27/26/437172726.db2.gz NVGLLEAUXAHHNZ-UHFFFAOYSA-N 1 1 338.433 0.228 20 30 ECEDMO C[N@@H+](CCC#N)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000177189603 437172730 /nfs/dbraw/zinc/17/27/30/437172730.db2.gz NVGLLEAUXAHHNZ-UHFFFAOYSA-N 1 1 338.433 0.228 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177379218 437180648 /nfs/dbraw/zinc/18/06/48/437180648.db2.gz ZTJZKRPKPJVMBB-GOSISDBHSA-N 1 1 337.512 0.999 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379218 437180652 /nfs/dbraw/zinc/18/06/52/437180652.db2.gz ZTJZKRPKPJVMBB-GOSISDBHSA-N 1 1 337.512 0.999 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)CC1 ZINC000332286843 437210059 /nfs/dbraw/zinc/21/00/59/437210059.db2.gz MILDIGOSGGZJHP-JKSUJKDBSA-N 1 1 347.463 0.874 20 30 ECEDMO CN1C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC[C@@H]21 ZINC000332187106 437210605 /nfs/dbraw/zinc/21/06/05/437210605.db2.gz WWCZHXLDXMXYJO-BMFZPTHFSA-N 1 1 330.388 0.396 20 30 ECEDMO C#CCNc1nc(N(C)CC[C@H](C)O)nc(N(C)CC[C@H](C)O)[nH+]1 ZINC000287178687 437168085 /nfs/dbraw/zinc/16/80/85/437168085.db2.gz GROCIHCDWVFOCK-STQMWFEESA-N 1 1 336.440 0.331 20 30 ECEDMO Cc1cc(CNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000328821028 437269464 /nfs/dbraw/zinc/26/94/64/437269464.db2.gz QHIAWECJRKHVID-UHFFFAOYSA-N 1 1 349.435 0.883 20 30 ECEDMO C[C@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)NC1CC1 ZINC000266600926 437226276 /nfs/dbraw/zinc/22/62/76/437226276.db2.gz DNASSEKHKRQWMV-LBPRGKRZSA-N 1 1 346.431 0.952 20 30 ECEDMO C=C[C@@H]1CCCC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000332567278 437232398 /nfs/dbraw/zinc/23/23/98/437232398.db2.gz BIXMYLCLTPHQJC-CYBMUJFWSA-N 1 1 331.420 0.864 20 30 ECEDMO CC[NH+]=C(NCCN1CCCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000179125306 437253687 /nfs/dbraw/zinc/25/36/87/437253687.db2.gz GBFZMXQEAOZYCM-UHFFFAOYSA-N 1 1 347.467 0.130 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000336912094 437309063 /nfs/dbraw/zinc/30/90/63/437309063.db2.gz JQKLCJJDUOIANQ-ZIAGYGMSSA-N 1 1 346.497 0.944 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000180304444 437287490 /nfs/dbraw/zinc/28/74/90/437287490.db2.gz CHBGZLNUPMBZGX-AWEZNQCLSA-N 1 1 326.441 0.335 20 30 ECEDMO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000278271607 437298338 /nfs/dbraw/zinc/29/83/38/437298338.db2.gz HRAHTYLRVJSARA-KKUMJFAQSA-N 1 1 349.435 0.271 20 30 ECEDMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000278271607 437298342 /nfs/dbraw/zinc/29/83/42/437298342.db2.gz HRAHTYLRVJSARA-KKUMJFAQSA-N 1 1 349.435 0.271 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)C1=O ZINC000337204625 437340267 /nfs/dbraw/zinc/34/02/67/437340267.db2.gz IAYNTJHHUMUCIR-ZIAGYGMSSA-N 1 1 329.466 0.377 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041729279 782068857 /nfs/dbraw/zinc/06/88/57/782068857.db2.gz DHTWEKXQKDKVTI-ZVZYQTTQSA-N 1 1 335.448 0.767 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC[N@H+]1C ZINC000329291866 437348002 /nfs/dbraw/zinc/34/80/02/437348002.db2.gz QZDAHCDGMLVETE-APIJFGDWSA-N 1 1 339.436 0.832 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000329363216 437357611 /nfs/dbraw/zinc/35/76/11/437357611.db2.gz JCBINMRQJDRRDA-XUJVJEKNSA-N 1 1 326.466 0.643 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000337422303 437359710 /nfs/dbraw/zinc/35/97/10/437359710.db2.gz QJGQLWXXNWMAGC-LSDHHAIUSA-N 1 1 330.432 0.561 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+]CCn1cnc(C#N)n1 ZINC000329386612 437362689 /nfs/dbraw/zinc/36/26/89/437362689.db2.gz SMKSOSWZABMUAM-ZDUSSCGKSA-N 1 1 347.423 0.249 20 30 ECEDMO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(=O)N1CCCC[C@@H]1C ZINC000329427048 437367916 /nfs/dbraw/zinc/36/79/16/437367916.db2.gz GQZFADNJFIYLTK-SOUVJXGZSA-N 1 1 339.484 0.525 20 30 ECEDMO C[C@H](NC(=O)NC[C@@H]1CN(C)CCN1C)C(=O)N1CCCC[C@@H]1C ZINC000329427048 437367920 /nfs/dbraw/zinc/36/79/20/437367920.db2.gz GQZFADNJFIYLTK-SOUVJXGZSA-N 1 1 339.484 0.525 20 30 ECEDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000337057890 437323722 /nfs/dbraw/zinc/32/37/22/437323722.db2.gz DOZGJUCHNHDOBR-KBPBESRZSA-N 1 1 330.454 0.119 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000329148305 437326836 /nfs/dbraw/zinc/32/68/36/437326836.db2.gz YGONBIJKXSBNON-RHSMWYFYSA-N 1 1 338.452 0.444 20 30 ECEDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000337094611 437331783 /nfs/dbraw/zinc/33/17/83/437331783.db2.gz PCRUBVRHMSIVGP-ZIAGYGMSSA-N 1 1 330.454 0.310 20 30 ECEDMO CCn1nncc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000329208882 437335783 /nfs/dbraw/zinc/33/57/83/437335783.db2.gz YUYCDUHKPPTMHN-YHWZYXNKSA-N 1 1 334.424 0.686 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)NC1CCN(C(=O)C2CC2)CC1 ZINC000329228649 437337430 /nfs/dbraw/zinc/33/74/30/437337430.db2.gz BXSNEWSGBBMHTC-UHFFFAOYSA-N 1 1 340.493 0.940 20 30 ECEDMO CN(C)CC[N@H+](C)CCCN(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000289443176 437411737 /nfs/dbraw/zinc/41/17/37/437411737.db2.gz OPDHPIQSXJDXOH-UHFFFAOYSA-N 1 1 345.491 0.990 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000289443176 437411743 /nfs/dbraw/zinc/41/17/43/437411743.db2.gz OPDHPIQSXJDXOH-UHFFFAOYSA-N 1 1 345.491 0.990 20 30 ECEDMO Cc1nc2ccc(NC(=O)N3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)cn2n1 ZINC000329786600 437412737 /nfs/dbraw/zinc/41/27/37/437412737.db2.gz QRPNUOXRGTZGFV-VXGBXAGGSA-N 1 1 332.408 0.970 20 30 ECEDMO Cc1nc2ccc(NC(=O)N3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)cn2n1 ZINC000329786600 437412741 /nfs/dbraw/zinc/41/27/41/437412741.db2.gz QRPNUOXRGTZGFV-VXGBXAGGSA-N 1 1 332.408 0.970 20 30 ECEDMO CCN1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1=O ZINC000329851674 437420317 /nfs/dbraw/zinc/42/03/17/437420317.db2.gz QYRJJTZPNMEXBS-KBPBESRZSA-N 1 1 340.468 0.952 20 30 ECEDMO O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329862152 437421911 /nfs/dbraw/zinc/42/19/11/437421911.db2.gz QWHMLWPPFXPORW-UKRRQHHQSA-N 1 1 333.436 0.835 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000279141393 437379957 /nfs/dbraw/zinc/37/99/57/437379957.db2.gz XMKUCPDPXUTFNE-QGZVFWFLSA-N 1 1 341.371 0.561 20 30 ECEDMO C[C@H](C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)[NH+]1CCSCC1 ZINC000329522450 437380309 /nfs/dbraw/zinc/38/03/09/437380309.db2.gz PLHLAVPHDOBKDH-DGCLKSJQSA-N 1 1 326.466 0.691 20 30 ECEDMO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC000338252617 437400200 /nfs/dbraw/zinc/40/02/00/437400200.db2.gz SLBMNFGLLOMNLS-AWEZNQCLSA-N 1 1 349.460 0.357 20 30 ECEDMO C[C@H](NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000330234875 437473065 /nfs/dbraw/zinc/47/30/65/437473065.db2.gz YOFOBKAPZGUXRX-JSGCOSHPSA-N 1 1 344.481 0.517 20 30 ECEDMO Cn1cc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C(F)(F)F)n1 ZINC000330237677 437473639 /nfs/dbraw/zinc/47/36/39/437473639.db2.gz AQGQFBVTEQPGAB-LLVKDONJSA-N 1 1 348.373 0.688 20 30 ECEDMO C[C@H]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CCS1(=O)=O ZINC000330251163 437475225 /nfs/dbraw/zinc/47/52/25/437475225.db2.gz NISOUHVQJLRVHO-NSHDSACASA-N 1 1 343.453 0.409 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290385286 437482278 /nfs/dbraw/zinc/48/22/78/437482278.db2.gz CPDYQZQOJURXLP-UHFFFAOYSA-N 1 1 349.410 0.636 20 30 ECEDMO CN(CCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)CC[NH+](C)C ZINC000290385286 437482281 /nfs/dbraw/zinc/48/22/81/437482281.db2.gz CPDYQZQOJURXLP-UHFFFAOYSA-N 1 1 349.410 0.636 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339731240 437500985 /nfs/dbraw/zinc/50/09/85/437500985.db2.gz YXHHXASYLBGQKV-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000330412458 437503978 /nfs/dbraw/zinc/50/39/78/437503978.db2.gz SIDJGNVCLICPRF-BYNSBNAKSA-N 1 1 341.452 0.923 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000330526938 437540998 /nfs/dbraw/zinc/54/09/98/437540998.db2.gz MJXNUGWANFDFNK-OIISXLGYSA-N 1 1 348.451 0.548 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000330526938 437541003 /nfs/dbraw/zinc/54/10/03/437541003.db2.gz MJXNUGWANFDFNK-OIISXLGYSA-N 1 1 348.451 0.548 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000339998442 437541468 /nfs/dbraw/zinc/54/14/68/437541468.db2.gz BCSQQKUQDIAHHP-MRXNPFEDSA-N 1 1 338.496 0.799 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC000330569242 437554655 /nfs/dbraw/zinc/55/46/55/437554655.db2.gz DMPWVQXUXWNOAH-KGLIPLIRSA-N 1 1 343.424 0.131 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)N2CCC[C@@H]2C(=O)OCC)CC1 ZINC000330647304 437577820 /nfs/dbraw/zinc/57/78/20/437577820.db2.gz HMXMRYFMCUKCLE-CQSZACIVSA-N 1 1 345.465 0.499 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@H](C)[NH+]1C ZINC000343421953 437580083 /nfs/dbraw/zinc/58/00/83/437580083.db2.gz FILRRMLCCOTCSG-RYUDHWBXSA-N 1 1 346.435 0.999 20 30 ECEDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000340151810 437586647 /nfs/dbraw/zinc/58/66/47/437586647.db2.gz MYTHFLODARIIRK-INIZCTEOSA-N 1 1 328.416 0.973 20 30 ECEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000340151810 437586650 /nfs/dbraw/zinc/58/66/50/437586650.db2.gz MYTHFLODARIIRK-INIZCTEOSA-N 1 1 328.416 0.973 20 30 ECEDMO CNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000330687968 437588794 /nfs/dbraw/zinc/58/87/94/437588794.db2.gz CPMBJBFGKZUUBB-CYBMUJFWSA-N 1 1 340.449 0.145 20 30 ECEDMO COC(=O)[C@@H]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000331021765 437672327 /nfs/dbraw/zinc/67/23/27/437672327.db2.gz PPXNSDSDBHQZBP-SOUVJXGZSA-N 1 1 341.452 1.000 20 30 ECEDMO CCN(C)C(=O)[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000331023408 437672849 /nfs/dbraw/zinc/67/28/49/437672849.db2.gz RCMPTGVTUBYDGT-OLZOCXBDSA-N 1 1 328.457 0.544 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CCOC[C@H]1C[C@H](C)O)[NH+]1CCOCC1 ZINC000331003749 437667731 /nfs/dbraw/zinc/66/77/31/437667731.db2.gz RTYLRIYAMNHNQI-ARFHVFGLSA-N 1 1 343.468 0.729 20 30 ECEDMO Cc1ccn(C)c(=O)c1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000331011224 437669247 /nfs/dbraw/zinc/66/92/47/437669247.db2.gz VKNZOKBKHSCJFK-UHFFFAOYSA-N 1 1 349.435 0.572 20 30 ECEDMO CC1(C)NC(=O)N(CC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000292389053 437684936 /nfs/dbraw/zinc/68/49/36/437684936.db2.gz ZRTSTSBRCUMUKK-ZDUSSCGKSA-N 1 1 343.387 0.737 20 30 ECEDMO C[N@@H+](CCO)C1CCN(C(=O)NCC(=O)N2CCCCC2)CC1 ZINC000331122808 437693197 /nfs/dbraw/zinc/69/31/97/437693197.db2.gz PLZNXWQWYLITEG-UHFFFAOYSA-N 1 1 326.441 0.301 20 30 ECEDMO C[C@H](CC[NH+](C)C)[NH+]=C([O-])N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000331178820 437708356 /nfs/dbraw/zinc/70/83/56/437708356.db2.gz GJMAPMLVQOMMPE-NEPJUHHUSA-N 1 1 337.428 0.268 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C2CCN(Cc3nccn3C)CC2)CC1 ZINC000363154157 437771119 /nfs/dbraw/zinc/77/11/19/437771119.db2.gz IZSYQTCOCXMTNC-UHFFFAOYSA-N 1 1 343.475 0.800 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000362294235 437730299 /nfs/dbraw/zinc/73/02/99/437730299.db2.gz SEAMKVHARPSSRY-IAGOWNOFSA-N 1 1 341.411 0.664 20 30 ECEDMO COC(=O)c1cnc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000331293479 437735556 /nfs/dbraw/zinc/73/55/56/437735556.db2.gz XNTUHYXXTNJOOG-UHFFFAOYSA-N 1 1 335.408 0.594 20 30 ECEDMO CN(CC(=O)NC(C)(C)C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331292083 437736192 /nfs/dbraw/zinc/73/61/92/437736192.db2.gz KUZSPRPBHPCNDC-UHFFFAOYSA-N 1 1 341.500 0.773 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000356533291 437780743 /nfs/dbraw/zinc/78/07/43/437780743.db2.gz ZIFHREZKFZPIPU-HNNXBMFYSA-N 1 1 325.453 0.884 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345195489 437784148 /nfs/dbraw/zinc/78/41/48/437784148.db2.gz ZKONSZWEQWGNCG-AWEZNQCLSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000346445534 437810847 /nfs/dbraw/zinc/81/08/47/437810847.db2.gz NCNZJYQASBNQPH-OLZOCXBDSA-N 1 1 342.465 0.199 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000346445534 437810851 /nfs/dbraw/zinc/81/08/51/437810851.db2.gz NCNZJYQASBNQPH-OLZOCXBDSA-N 1 1 342.465 0.199 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000364018896 437810902 /nfs/dbraw/zinc/81/09/02/437810902.db2.gz FVKITYVOTOZULA-LBPRGKRZSA-N 1 1 346.435 0.804 20 30 ECEDMO COCCN1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000364452427 437816400 /nfs/dbraw/zinc/81/64/00/437816400.db2.gz DZYGPIXFCQBUAH-MRXNPFEDSA-N 1 1 347.415 0.479 20 30 ECEDMO COCCN1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000364452427 437816406 /nfs/dbraw/zinc/81/64/06/437816406.db2.gz DZYGPIXFCQBUAH-MRXNPFEDSA-N 1 1 347.415 0.479 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000416379969 437924078 /nfs/dbraw/zinc/92/40/78/437924078.db2.gz BYLWFMHSKRLMIV-QLFBSQMISA-N 1 1 328.482 0.719 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000342152935 437973141 /nfs/dbraw/zinc/97/31/41/437973141.db2.gz BGWTUMKEUXLHMY-JYJNAYRXSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CCCCCNC(=O)N1CCN(C[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000371956985 438014398 /nfs/dbraw/zinc/01/43/98/438014398.db2.gz LOTLVZQZQAHASM-QGZVFWFLSA-N 1 1 336.480 0.838 20 30 ECEDMO C#CCCCCNC(=O)N1CCN(C[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000371956985 438014403 /nfs/dbraw/zinc/01/44/03/438014403.db2.gz LOTLVZQZQAHASM-QGZVFWFLSA-N 1 1 336.480 0.838 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425210022 438018064 /nfs/dbraw/zinc/01/80/64/438018064.db2.gz VREKTZDWJLHKLO-UHFFFAOYSA-N 1 1 332.470 0.509 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000365950790 437994598 /nfs/dbraw/zinc/99/45/98/437994598.db2.gz PPLBZWQJBTYAKU-GVDBMIGSSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCOCCC[N@@H+]1CCO[C@H](CN(C)c2nccn(C)c2=O)C1 ZINC000348085182 438009757 /nfs/dbraw/zinc/00/97/57/438009757.db2.gz LPNMWAAUWMXPGI-OAHLLOKOSA-N 1 1 336.436 0.510 20 30 ECEDMO C=CCOCCC[N@H+]1CCO[C@H](CN(C)c2nccn(C)c2=O)C1 ZINC000348085182 438009760 /nfs/dbraw/zinc/00/97/60/438009760.db2.gz LPNMWAAUWMXPGI-OAHLLOKOSA-N 1 1 336.436 0.510 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000430377085 438111364 /nfs/dbraw/zinc/11/13/64/438111364.db2.gz NRPWGYJUNLRGCB-JJXSEGSLSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000430414736 438113265 /nfs/dbraw/zinc/11/32/65/438113265.db2.gz NVNYFUXKEIXOSE-CABCVRRESA-N 1 1 325.453 0.930 20 30 ECEDMO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358047644 438132675 /nfs/dbraw/zinc/13/26/75/438132675.db2.gz MFTDMLWWVSOQGQ-SFHVURJKSA-N 1 1 347.415 0.909 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)nn1CCC#N ZINC000349280831 438145786 /nfs/dbraw/zinc/14/57/86/438145786.db2.gz GSTFHPZDWQHBNG-BXUZGUMPSA-N 1 1 344.419 0.643 20 30 ECEDMO N#CCC1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000431141548 438148876 /nfs/dbraw/zinc/14/88/76/438148876.db2.gz WOXMAZCNHHFWTI-OAHLLOKOSA-N 1 1 348.447 0.510 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367308935 438194446 /nfs/dbraw/zinc/19/44/46/438194446.db2.gz GFZFAUKTGMWLAQ-HOCLYGCPSA-N 1 1 349.479 0.409 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000373532562 438156324 /nfs/dbraw/zinc/15/63/24/438156324.db2.gz IRNIUXXKMUZKDI-KZULUSFZSA-N 1 1 342.399 0.983 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000374458297 438212702 /nfs/dbraw/zinc/21/27/02/438212702.db2.gz JJYRURZVSBWFQA-YPMHNXCESA-N 1 1 325.438 0.822 20 30 ECEDMO C[C@H]1C[C@H](CNC(=O)NCC(=O)NCC#N)C[N@H+]1Cc1ccccc1 ZINC000367738549 438243280 /nfs/dbraw/zinc/24/32/80/438243280.db2.gz KLAHVSHPWCGAPZ-GOEBONIOSA-N 1 1 343.431 0.836 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000374414746 438205649 /nfs/dbraw/zinc/20/56/49/438205649.db2.gz JEPGWYXSXTVMDQ-ZDUSSCGKSA-N 1 1 332.470 0.101 20 30 ECEDMO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000367426197 438207733 /nfs/dbraw/zinc/20/77/33/438207733.db2.gz MDFCZKOZNRXSFJ-CYBMUJFWSA-N 1 1 336.417 0.481 20 30 ECEDMO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000367426197 438207736 /nfs/dbraw/zinc/20/77/36/438207736.db2.gz MDFCZKOZNRXSFJ-CYBMUJFWSA-N 1 1 336.417 0.481 20 30 ECEDMO CCOC(=O)[C@](C)(O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000375367285 438251140 /nfs/dbraw/zinc/25/11/40/438251140.db2.gz FLHFHHSMTGWBCA-QGZVFWFLSA-N 1 1 332.404 0.779 20 30 ECEDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 ZINC000377019509 438300874 /nfs/dbraw/zinc/30/08/74/438300874.db2.gz LIMWAKQNTYSXTM-CYBMUJFWSA-N 1 1 332.408 0.993 20 30 ECEDMO C=CCOC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C(=O)OC ZINC000435933126 438392921 /nfs/dbraw/zinc/39/29/21/438392921.db2.gz BIBBNEXMVIYDLQ-HUUCEWRRSA-N 1 1 340.420 0.490 20 30 ECEDMO Cc1[nH+]c(CNS(=O)(=O)N(C)C[C@H](C)C#N)c2n1CCCC2 ZINC000369195168 438435393 /nfs/dbraw/zinc/43/53/93/438435393.db2.gz TZQOMWLZJVBNFX-LLVKDONJSA-N 1 1 325.438 0.954 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352250644 438402333 /nfs/dbraw/zinc/40/23/33/438402333.db2.gz KFSNDDCLBUBDIX-CYBMUJFWSA-N 1 1 344.481 0.256 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000370263450 438566881 /nfs/dbraw/zinc/56/68/81/438566881.db2.gz XWVMYFDDUFLWNT-ZDUSSCGKSA-N 1 1 339.417 0.699 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000370263450 438566884 /nfs/dbraw/zinc/56/68/84/438566884.db2.gz XWVMYFDDUFLWNT-ZDUSSCGKSA-N 1 1 339.417 0.699 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)nn1CCC#N ZINC000442301719 438603950 /nfs/dbraw/zinc/60/39/50/438603950.db2.gz INJLEVJQNXXKAH-OLZOCXBDSA-N 1 1 332.408 0.595 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)nn1CCC#N ZINC000442301719 438603953 /nfs/dbraw/zinc/60/39/53/438603953.db2.gz INJLEVJQNXXKAH-OLZOCXBDSA-N 1 1 332.408 0.595 20 30 ECEDMO C[C@@](O)(CNC(=O)NCC1CCC(C#N)CC1)C[NH+]1CCOCC1 ZINC000442726457 438620731 /nfs/dbraw/zinc/62/07/31/438620731.db2.gz CMQLHGPLATVHGW-VMBOVVBDSA-N 1 1 338.452 0.699 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000410907534 438666203 /nfs/dbraw/zinc/66/62/03/438666203.db2.gz DBTWAHTXDGQEGD-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000446063333 438668103 /nfs/dbraw/zinc/66/81/03/438668103.db2.gz XYNMHFIJZRZKCD-CVEARBPZSA-N 1 1 336.480 0.772 20 30 ECEDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000447390913 438676630 /nfs/dbraw/zinc/67/66/30/438676630.db2.gz CTZAKHSQJNMRQQ-GJZGRUSLSA-N 1 1 327.425 0.094 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000447394002 438677235 /nfs/dbraw/zinc/67/72/35/438677235.db2.gz PNCYFCHFKCQOAA-CVEARBPZSA-N 1 1 328.453 0.757 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000447394002 438677237 /nfs/dbraw/zinc/67/72/37/438677237.db2.gz PNCYFCHFKCQOAA-CVEARBPZSA-N 1 1 328.453 0.757 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413591681 438695922 /nfs/dbraw/zinc/69/59/22/438695922.db2.gz JCVJGFWPMFLOIO-MJBXVCDLSA-N 1 1 325.409 0.466 20 30 ECEDMO N#Cc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000454489027 438719512 /nfs/dbraw/zinc/71/95/12/438719512.db2.gz VMGYXEYRDYJEHJ-HNNXBMFYSA-N 1 1 347.394 0.836 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000548351604 438728233 /nfs/dbraw/zinc/72/82/33/438728233.db2.gz PVZZNYRAQDYXIL-QGZVFWFLSA-N 1 1 337.464 0.763 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCCCC#N)CC2)C1 ZINC000588053393 438816287 /nfs/dbraw/zinc/81/62/87/438816287.db2.gz BLWWTKKRAZJBPF-OAHLLOKOSA-N 1 1 335.452 0.035 20 30 ECEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588127792 438820948 /nfs/dbraw/zinc/82/09/48/438820948.db2.gz QXUBZJQYDIMZPM-HNNXBMFYSA-N 1 1 349.479 0.327 20 30 ECEDMO N#CCc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000577276822 438827458 /nfs/dbraw/zinc/82/74/58/438827458.db2.gz FHHIHEADLHASQJ-MRXNPFEDSA-N 1 1 343.431 0.892 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000601438956 438894682 /nfs/dbraw/zinc/89/46/82/438894682.db2.gz DNXVWNFGJKEBNB-UHFFFAOYSA-N 1 1 330.454 0.263 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000589189723 438861567 /nfs/dbraw/zinc/86/15/67/438861567.db2.gz IGYYDLWJOCZJET-INIZCTEOSA-N 1 1 342.399 0.642 20 30 ECEDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000595851857 438871552 /nfs/dbraw/zinc/87/15/52/438871552.db2.gz WFSCLTQDYRNLKG-OAHLLOKOSA-N 1 1 333.436 0.879 20 30 ECEDMO C=CCC[C@H](CO)NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000458434298 438885684 /nfs/dbraw/zinc/88/56/84/438885684.db2.gz JIWGJGBDLWPAEP-HZPDHXFCSA-N 1 1 326.485 0.886 20 30 ECEDMO CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@H](C#N)C1 ZINC000578287065 438910175 /nfs/dbraw/zinc/91/01/75/438910175.db2.gz UOJIWBSBOTZRHW-ZIAGYGMSSA-N 1 1 333.392 0.234 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)N2CCN(CCC#N)CC2)CC1(C)C ZINC000601607811 438941324 /nfs/dbraw/zinc/94/13/24/438941324.db2.gz SKQOVBFFOFJFKT-UHFFFAOYSA-N 1 1 336.484 0.253 20 30 ECEDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000578741223 438949415 /nfs/dbraw/zinc/94/94/15/438949415.db2.gz MHTNAKUXKCBGSV-DOTOQJQBSA-N 1 1 332.448 0.523 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C[C@@H]21 ZINC000590791615 438959681 /nfs/dbraw/zinc/95/96/81/438959681.db2.gz MTAYOEZJDSJCLU-YPMHNXCESA-N 1 1 344.419 0.611 20 30 ECEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC(=O)NCC#N)C1 ZINC000596599932 438979428 /nfs/dbraw/zinc/97/94/28/438979428.db2.gz XFUKYHQGLOMMOI-MRXNPFEDSA-N 1 1 343.431 0.585 20 30 ECEDMO COCC(COC)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000591087321 438982173 /nfs/dbraw/zinc/98/21/73/438982173.db2.gz BYUPICTYJVRUOU-UHFFFAOYSA-N 1 1 333.388 0.683 20 30 ECEDMO N#Cc1cc(F)cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000602020838 438998689 /nfs/dbraw/zinc/99/86/89/438998689.db2.gz WFEMWLWSVFMMTC-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO C=CCn1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])nn1 ZINC000579345091 438999741 /nfs/dbraw/zinc/99/97/41/438999741.db2.gz PNKDRXNYJNIYRH-ZDUSSCGKSA-N 1 1 333.348 0.902 20 30 ECEDMO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(CCC#N)CC1)c1ccco1 ZINC000602227542 439042796 /nfs/dbraw/zinc/04/27/96/439042796.db2.gz ZGLMTYWQKUJXDO-CQSZACIVSA-N 1 1 347.419 0.056 20 30 ECEDMO C[N@H+]1CCN(CCNc2nc3c(cc2C#N)COCC3)CC1(C)C ZINC000567121163 439115939 /nfs/dbraw/zinc/11/59/39/439115939.db2.gz FYGKHNFCOKJQRL-UHFFFAOYSA-N 1 1 329.448 1.464 20 30 ECEDMO N#Cc1cnn2cc(C[N@H+]3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)cnc12 ZINC000566737301 439084349 /nfs/dbraw/zinc/08/43/49/439084349.db2.gz GQUZJTIHFCMCCD-BMFZPTHFSA-N 1 1 327.388 0.963 20 30 ECEDMO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)CN1CCN(C)CC1 ZINC000567691033 439167112 /nfs/dbraw/zinc/16/71/12/439167112.db2.gz NRHSHWIOOIURJH-SJLPKXTDSA-N 1 1 346.475 0.771 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000597627006 439144190 /nfs/dbraw/zinc/14/41/90/439144190.db2.gz WOTDHFCUCJMMSS-KRWDZBQOSA-N 1 1 327.432 0.744 20 30 ECEDMO CC1CCN(C[C@H](O)C[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)CC1 ZINC000567498629 439147184 /nfs/dbraw/zinc/14/71/84/439147184.db2.gz HWMDUAFDYJJHKO-GDBMZVCRSA-N 1 1 332.452 0.479 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c1C#N ZINC000487448323 439148370 /nfs/dbraw/zinc/14/83/70/439148370.db2.gz ZXFULLVBLINAOY-WFASDCNBSA-N 1 1 330.436 0.447 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC000567502115 439149537 /nfs/dbraw/zinc/14/95/37/439149537.db2.gz XZHCVWFFQFPTGP-HNNXBMFYSA-N 1 1 337.445 0.378 20 30 ECEDMO N#Cc1ccc(C2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)nc1 ZINC000602912066 439159976 /nfs/dbraw/zinc/15/99/76/439159976.db2.gz KCHUNZSROQNWLX-UHFFFAOYSA-N 1 1 327.388 0.091 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1 ZINC000597694737 439161020 /nfs/dbraw/zinc/16/10/20/439161020.db2.gz NEMOAANGRHWRMI-UHFFFAOYSA-N 1 1 341.459 0.944 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000581518260 439221663 /nfs/dbraw/zinc/22/16/63/439221663.db2.gz TVHKKPDLZVTXJD-ZDUSSCGKSA-N 1 1 336.417 0.047 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000592197931 439177319 /nfs/dbraw/zinc/17/73/19/439177319.db2.gz QAPXLFATLASJDG-UKRRQHHQSA-N 1 1 331.372 0.743 20 30 ECEDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000567835420 439185028 /nfs/dbraw/zinc/18/50/28/439185028.db2.gz OEZXNOKLXWMPSH-LBPRGKRZSA-N 1 1 345.403 0.195 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000567835420 439185032 /nfs/dbraw/zinc/18/50/32/439185032.db2.gz OEZXNOKLXWMPSH-LBPRGKRZSA-N 1 1 345.403 0.195 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000490615732 439276936 /nfs/dbraw/zinc/27/69/36/439276936.db2.gz HIPIZEWMWLCUHY-UONOGXRCSA-N 1 1 347.415 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000490615702 439277463 /nfs/dbraw/zinc/27/74/63/439277463.db2.gz HFESZPGUJYVXNB-LSDHHAIUSA-N 1 1 342.461 0.689 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000490635129 439282347 /nfs/dbraw/zinc/28/23/47/439282347.db2.gz CZPNRTCVEQCGHU-CYBMUJFWSA-N 1 1 335.429 0.374 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000490635129 439282350 /nfs/dbraw/zinc/28/23/50/439282350.db2.gz CZPNRTCVEQCGHU-CYBMUJFWSA-N 1 1 335.429 0.374 20 30 ECEDMO C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590071 439283185 /nfs/dbraw/zinc/28/31/85/439283185.db2.gz WWGDLEFGDNPAHA-BRWVUGGUSA-N 1 1 338.496 0.624 20 30 ECEDMO C[N@H+]1CC[C@]2(CCN(c3ccc(C#N)cc3CS(N)(=O)=O)C2)C1 ZINC000603381482 439249882 /nfs/dbraw/zinc/24/98/82/439249882.db2.gz BVJCJKBKVHTWMM-INIZCTEOSA-N 1 1 334.445 0.879 20 30 ECEDMO C[C@]1(C#N)CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000598410752 439260720 /nfs/dbraw/zinc/26/07/20/439260720.db2.gz FWBUVDUONQGACH-CRAIPNDOSA-N 1 1 348.447 0.462 20 30 ECEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CCC1 ZINC000527377530 439268625 /nfs/dbraw/zinc/26/86/25/439268625.db2.gz IXEIUCOCWGGXAK-CYBMUJFWSA-N 1 1 328.420 0.966 20 30 ECEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CCC1 ZINC000527377530 439268629 /nfs/dbraw/zinc/26/86/29/439268629.db2.gz IXEIUCOCWGGXAK-CYBMUJFWSA-N 1 1 328.420 0.966 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000490925615 439313088 /nfs/dbraw/zinc/31/30/88/439313088.db2.gz WMLYMBAMODVRMC-LJQANCHMSA-N 1 1 340.471 0.753 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000490925615 439313091 /nfs/dbraw/zinc/31/30/91/439313091.db2.gz WMLYMBAMODVRMC-LJQANCHMSA-N 1 1 340.471 0.753 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000491013410 439321840 /nfs/dbraw/zinc/32/18/40/439321840.db2.gz JHURSUBZBDZZPZ-ZDUSSCGKSA-N 1 1 337.401 0.244 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000491013410 439321844 /nfs/dbraw/zinc/32/18/44/439321844.db2.gz JHURSUBZBDZZPZ-ZDUSSCGKSA-N 1 1 337.401 0.244 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000491039114 439324570 /nfs/dbraw/zinc/32/45/70/439324570.db2.gz NETCUTQKBLEUGF-LBPRGKRZSA-N 1 1 342.355 0.289 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000491039114 439324574 /nfs/dbraw/zinc/32/45/74/439324574.db2.gz NETCUTQKBLEUGF-LBPRGKRZSA-N 1 1 342.355 0.289 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)NC(=O)NCc2ccco2)CC1 ZINC000491069373 439328213 /nfs/dbraw/zinc/32/82/13/439328213.db2.gz VJESLCKTILQHBT-UHFFFAOYSA-N 1 1 346.387 0.067 20 30 ECEDMO CNC(=O)[C@H]1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528381087 439331224 /nfs/dbraw/zinc/33/12/24/439331224.db2.gz OYYGRZZQPCZIGZ-AWEZNQCLSA-N 1 1 339.395 0.744 20 30 ECEDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528374219 439331659 /nfs/dbraw/zinc/33/16/59/439331659.db2.gz WRNSWTVYQWTGCP-KGLIPLIRSA-N 1 1 339.395 0.872 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2CCC3(CCOCC3)C2=O)CC1 ZINC000491119246 439332308 /nfs/dbraw/zinc/33/23/08/439332308.db2.gz HPYVSJQNJKXZCW-UHFFFAOYSA-N 1 1 333.432 0.434 20 30 ECEDMO CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@](O)(CC#N)C1)n2C ZINC000592844037 439287871 /nfs/dbraw/zinc/28/78/71/439287871.db2.gz AKUCNYKGHDTWHT-INIZCTEOSA-N 1 1 328.376 0.525 20 30 ECEDMO C[NH+]1CCN([C@@H](C(=O)N2CC[C@@](O)(CC#N)C2)c2ccccc2)CC1 ZINC000592842207 439288931 /nfs/dbraw/zinc/28/89/31/439288931.db2.gz YZJQZIUBJIRQGL-MJGOQNOKSA-N 1 1 342.443 0.852 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](CCO)c2ccccc2)CC1 ZINC000490740212 439293326 /nfs/dbraw/zinc/29/33/26/439293326.db2.gz JMBHDCLGDDNNQL-GOSISDBHSA-N 1 1 329.444 0.819 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@H](CCO)c2ccccc2)CC1 ZINC000490740212 439293333 /nfs/dbraw/zinc/29/33/33/439293333.db2.gz JMBHDCLGDDNNQL-GOSISDBHSA-N 1 1 329.444 0.819 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC000490865577 439304488 /nfs/dbraw/zinc/30/44/88/439304488.db2.gz DZBRMJLYCOXNNN-UHFFFAOYSA-N 1 1 342.443 0.255 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC000490865577 439304493 /nfs/dbraw/zinc/30/44/93/439304493.db2.gz DZBRMJLYCOXNNN-UHFFFAOYSA-N 1 1 342.443 0.255 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000490874321 439306744 /nfs/dbraw/zinc/30/67/44/439306744.db2.gz MLFZZJSZLQCKCS-CQSZACIVSA-N 1 1 347.415 0.882 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000490915965 439310997 /nfs/dbraw/zinc/31/09/97/439310997.db2.gz QXDADLAWWSHTLS-KGLIPLIRSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000490915965 439310999 /nfs/dbraw/zinc/31/09/99/439310999.db2.gz QXDADLAWWSHTLS-KGLIPLIRSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490914997 439311660 /nfs/dbraw/zinc/31/16/60/439311660.db2.gz KOPXLHWWCVQOPI-OAHLLOKOSA-N 1 1 339.461 0.445 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000528479454 439340073 /nfs/dbraw/zinc/34/00/73/439340073.db2.gz VNINZOFQPGWRMA-CABCVRRESA-N 1 1 342.465 0.452 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)cc1OC ZINC000491165037 439342160 /nfs/dbraw/zinc/34/21/60/439342160.db2.gz HXEUOZLOVYGUHG-UHFFFAOYSA-N 1 1 328.372 0.577 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000491181316 439345170 /nfs/dbraw/zinc/34/51/70/439345170.db2.gz RYNLQPLKNIFRKP-QGZVFWFLSA-N 1 1 346.475 0.287 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528537801 439347141 /nfs/dbraw/zinc/34/71/41/439347141.db2.gz PDXLGHJAKNNUDO-AWEZNQCLSA-N 1 1 344.481 0.652 20 30 ECEDMO N#CC1(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC000593351523 439372273 /nfs/dbraw/zinc/37/22/73/439372273.db2.gz ZHKWZSSPJMVKAK-CQSZACIVSA-N 1 1 335.452 0.957 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)C[C@](C)(O)c2ccccc2)CC1 ZINC000491487026 439391936 /nfs/dbraw/zinc/39/19/36/439391936.db2.gz ZZHHWIXJNGIOLZ-IBGZPJMESA-N 1 1 329.444 0.603 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)C[C@](C)(O)c2ccccc2)CC1 ZINC000491487026 439391939 /nfs/dbraw/zinc/39/19/39/439391939.db2.gz ZZHHWIXJNGIOLZ-IBGZPJMESA-N 1 1 329.444 0.603 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000593524472 439392628 /nfs/dbraw/zinc/39/26/28/439392628.db2.gz KMRYHLNRULYSTP-UHFFFAOYSA-N 1 1 337.401 0.671 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000593524472 439392632 /nfs/dbraw/zinc/39/26/32/439392632.db2.gz KMRYHLNRULYSTP-UHFFFAOYSA-N 1 1 337.401 0.671 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000491516180 439395759 /nfs/dbraw/zinc/39/57/59/439395759.db2.gz RNLJBHMOYNDDLQ-KGLIPLIRSA-N 1 1 344.481 0.101 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C1CCCC1 ZINC000491427210 439381787 /nfs/dbraw/zinc/38/17/87/439381787.db2.gz JKMVROCKFCGHLT-HNNXBMFYSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C1CCCC1 ZINC000491427210 439381793 /nfs/dbraw/zinc/38/17/93/439381793.db2.gz JKMVROCKFCGHLT-HNNXBMFYSA-N 1 1 349.475 0.694 20 30 ECEDMO CC[C@@H](C#N)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000593443924 439382659 /nfs/dbraw/zinc/38/26/59/439382659.db2.gz LHZIBROHALTBSO-INIZCTEOSA-N 1 1 328.416 0.997 20 30 ECEDMO CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599278100 439413248 /nfs/dbraw/zinc/41/32/48/439413248.db2.gz ADZYEDMPDHBVLP-UONOGXRCSA-N 1 1 345.465 0.071 20 30 ECEDMO C[C@H](CS(C)(=O)=O)[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000599292971 439421854 /nfs/dbraw/zinc/42/18/54/439421854.db2.gz MHUPRNPDKNDZON-UKRRQHHQSA-N 1 1 344.477 0.955 20 30 ECEDMO C[C@H](CS(C)(=O)=O)[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000599292971 439421858 /nfs/dbraw/zinc/42/18/58/439421858.db2.gz MHUPRNPDKNDZON-UKRRQHHQSA-N 1 1 344.477 0.955 20 30 ECEDMO COC(=O)C[N@H+](C[C@H](O)COc1ccccc1C#N)C1CCOCC1 ZINC000599302669 439422821 /nfs/dbraw/zinc/42/28/21/439422821.db2.gz IMHRTGSZWRXZOE-INIZCTEOSA-N 1 1 348.399 0.952 20 30 ECEDMO COC(=O)C[N@@H+](C[C@H](O)COc1ccccc1C#N)C1CCOCC1 ZINC000599302669 439422824 /nfs/dbraw/zinc/42/28/24/439422824.db2.gz IMHRTGSZWRXZOE-INIZCTEOSA-N 1 1 348.399 0.952 20 30 ECEDMO C#CCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C1CCCC1 ZINC000491739434 439440145 /nfs/dbraw/zinc/44/01/45/439440145.db2.gz HDMXQURUNSJNJG-GASCZTMLSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C1CCCC1 ZINC000491739434 439440148 /nfs/dbraw/zinc/44/01/48/439440148.db2.gz HDMXQURUNSJNJG-GASCZTMLSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000491765861 439444511 /nfs/dbraw/zinc/44/45/11/439444511.db2.gz GBLSCIGBSTZAET-UHFFFAOYSA-N 1 1 331.825 0.977 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000491812361 439456109 /nfs/dbraw/zinc/45/61/09/439456109.db2.gz DWCJIKAQPRLRCJ-AWEZNQCLSA-N 1 1 329.400 0.872 20 30 ECEDMO N#Cc1cccc(CN2CCC(NC(=O)C(=O)NCCC[NH3+])CC2)c1 ZINC000593777327 439466189 /nfs/dbraw/zinc/46/61/89/439466189.db2.gz LTJAYXUKUHPKEZ-UHFFFAOYSA-N 1 1 343.431 0.104 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3cn[nH]c3)CC2)cc1 ZINC000599440291 439467609 /nfs/dbraw/zinc/46/76/09/439467609.db2.gz IYRALJSLPZBOAV-KRWDZBQOSA-N 1 1 341.415 0.839 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCN1S(C)(=O)=O ZINC000599469625 439484168 /nfs/dbraw/zinc/48/41/68/439484168.db2.gz JZERTYWONPNJIC-ZIAGYGMSSA-N 1 1 345.465 0.023 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CCN1S(C)(=O)=O ZINC000599469625 439484173 /nfs/dbraw/zinc/48/41/73/439484173.db2.gz JZERTYWONPNJIC-ZIAGYGMSSA-N 1 1 345.465 0.023 20 30 ECEDMO CCC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CC(=O)N(C)C1=O ZINC000599402468 439457199 /nfs/dbraw/zinc/45/71/99/439457199.db2.gz SPHKUPIBELGEIY-KBPBESRZSA-N 1 1 337.420 0.527 20 30 ECEDMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 ZINC000533320804 439525063 /nfs/dbraw/zinc/52/50/63/439525063.db2.gz XCBYUOIYEOWGJG-CQSZACIVSA-N 1 1 346.435 0.892 20 30 ECEDMO COc1cc(/C=C/C(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1OCC#N ZINC000492582113 439549277 /nfs/dbraw/zinc/54/92/77/439549277.db2.gz OQQMZAJZXOPOMN-MJICGBHWSA-N 1 1 345.399 0.794 20 30 ECEDMO COc1cc(/C=C\C(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1OCC#N ZINC000492582117 439549620 /nfs/dbraw/zinc/54/96/20/439549620.db2.gz OQQMZAJZXOPOMN-WLPBJKJWSA-N 1 1 345.399 0.794 20 30 ECEDMO CN1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cn2)CC1 ZINC000594439627 439559512 /nfs/dbraw/zinc/55/95/12/439559512.db2.gz SVLFEQHNCDLPFQ-INIZCTEOSA-N 1 1 344.463 0.861 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000531812184 439513895 /nfs/dbraw/zinc/51/38/95/439513895.db2.gz KWAILLIBTLJEPI-GDBMZVCRSA-N 1 1 349.479 0.099 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000594478341 439567628 /nfs/dbraw/zinc/56/76/28/439567628.db2.gz PQEFOVOXXJZHAZ-UONOGXRCSA-N 1 1 339.392 0.278 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000595146594 439660993 /nfs/dbraw/zinc/66/09/93/439660993.db2.gz AJTSZIPAAANBDI-UHFFFAOYSA-N 1 1 343.493 0.327 20 30 ECEDMO C[C@@](O)(C[C@@H](O)C[NH+]1CCN(c2ncccc2C#N)CC1)C1CC1 ZINC000600846076 439709446 /nfs/dbraw/zinc/70/94/46/439709446.db2.gz LORQAWJMRNIXES-SJLPKXTDSA-N 1 1 330.432 0.987 20 30 ECEDMO N#Cc1cccnc1N1CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000600845721 439710609 /nfs/dbraw/zinc/71/06/09/439710609.db2.gz GDXJNRCXDCQKFJ-INIZCTEOSA-N 1 1 346.431 0.368 20 30 ECEDMO CN1CCN(c2cc(C[NH2+]C[C@H](O)CC3(C#N)CC3)ccn2)CC1 ZINC000600715176 439693712 /nfs/dbraw/zinc/69/37/12/439693712.db2.gz GHEXCTFQHRZFPN-MRXNPFEDSA-N 1 1 329.448 0.978 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000613034720 439749304 /nfs/dbraw/zinc/74/93/04/439749304.db2.gz JUGWNQXXBAWSMU-AEFFLSMTSA-N 1 1 328.416 0.710 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1 ZINC001041735732 782083858 /nfs/dbraw/zinc/08/38/58/782083858.db2.gz IGHKXQFNJTYTDN-VXVMZULRSA-N 1 1 346.431 0.475 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(CC[N@H+](C[C@@H](C)O)C3)C2)nn1 ZINC001041732276 782077270 /nfs/dbraw/zinc/07/72/70/782077270.db2.gz GZQBFURWRAFKBR-RHSMWYFYSA-N 1 1 333.436 0.773 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1O ZINC000615430992 439800223 /nfs/dbraw/zinc/80/02/23/439800223.db2.gz CKIDIHVSXIYFMU-INIZCTEOSA-N 1 1 344.415 0.400 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1O ZINC000615430992 439800224 /nfs/dbraw/zinc/80/02/24/439800224.db2.gz CKIDIHVSXIYFMU-INIZCTEOSA-N 1 1 344.415 0.400 20 30 ECEDMO C=CC(C)(C)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000627121024 440013461 /nfs/dbraw/zinc/01/34/61/440013461.db2.gz LOGWXYMUVFMPDO-UHFFFAOYSA-N 1 1 344.481 0.218 20 30 ECEDMO C=CCCc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000628106078 440415223 /nfs/dbraw/zinc/41/52/23/440415223.db2.gz WKBIYQZJMJPFIL-HNNXBMFYSA-N 1 1 331.416 0.927 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000665538217 440486990 /nfs/dbraw/zinc/48/69/90/440486990.db2.gz GVVGSSALXGAZEZ-JKSUJKDBSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC[C@]1(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)CCC[NH2+]1 ZINC000638856514 440633007 /nfs/dbraw/zinc/63/30/07/440633007.db2.gz NMXHSQXPZPZHHN-MAUKXSAKSA-N 1 1 334.464 0.496 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)C[C@H](OC)C2CCOCC2)CC1 ZINC000645522034 440827894 /nfs/dbraw/zinc/82/78/94/440827894.db2.gz FQEAXMPSVIGXNA-INIZCTEOSA-N 1 1 346.493 0.998 20 30 ECEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000662084962 440965209 /nfs/dbraw/zinc/96/52/09/440965209.db2.gz BOKCOCQVSRCWCA-TXEJJXNPSA-N 1 1 348.403 0.543 20 30 ECEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000662084962 440965216 /nfs/dbraw/zinc/96/52/16/440965216.db2.gz BOKCOCQVSRCWCA-TXEJJXNPSA-N 1 1 348.403 0.543 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000641490137 441131905 /nfs/dbraw/zinc/13/19/05/441131905.db2.gz WYCFBOZLJRJEBA-CQSZACIVSA-N 1 1 337.445 0.672 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000641490137 441131908 /nfs/dbraw/zinc/13/19/08/441131908.db2.gz WYCFBOZLJRJEBA-CQSZACIVSA-N 1 1 337.445 0.672 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001041736510 782085641 /nfs/dbraw/zinc/08/56/41/782085641.db2.gz STAJKMZUADGRLO-GOEBONIOSA-N 1 1 341.477 0.521 20 30 ECEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@@H](C)C1 ZINC000562337079 322270432 /nfs/dbraw/zinc/27/04/32/322270432.db2.gz KKKQJXUVFVRBHH-BFHYXJOUSA-N 1 1 331.424 0.521 20 30 ECEDMO CN1C(=O)NCC12CC[NH+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000577486454 322836280 /nfs/dbraw/zinc/83/62/80/322836280.db2.gz ZTRPPGIBYRUPEZ-UHFFFAOYSA-N 1 1 327.388 0.986 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001078021685 782154691 /nfs/dbraw/zinc/15/46/91/782154691.db2.gz GIDHHSKFKZYPGP-HZPDHXFCSA-N 1 1 329.400 0.187 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001078022278 782155932 /nfs/dbraw/zinc/15/59/32/782155932.db2.gz BKXHZOUJROHYGG-HZPDHXFCSA-N 1 1 329.400 0.187 20 30 ECEDMO CNC(=O)c1ccn([C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000328647241 521923028 /nfs/dbraw/zinc/92/30/28/521923028.db2.gz TWAJAASRZBSSJV-KBPBESRZSA-N 1 1 346.435 0.640 20 30 ECEDMO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329379638 546022949 /nfs/dbraw/zinc/02/29/49/546022949.db2.gz PMBWUWDJRZLPMV-UONOGXRCSA-N 1 1 346.497 0.393 20 30 ECEDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000619516849 546338101 /nfs/dbraw/zinc/33/81/01/546338101.db2.gz KZAJGZRJNBIHFE-LESCRADOSA-N 1 1 334.416 0.964 20 30 ECEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)nn1 ZINC000668146513 547597255 /nfs/dbraw/zinc/59/72/55/547597255.db2.gz JDPDVMMVZBZXOG-BBRMVZONSA-N 1 1 332.408 0.807 20 30 ECEDMO CCn1c(N)c(C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)c(=O)[nH]c1=O ZINC000678763566 549049360 /nfs/dbraw/zinc/04/93/60/549049360.db2.gz FJMMQUAOWYMSLH-SNVBAGLBSA-N 1 1 341.371 0.956 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2O)cn1 ZINC001078032360 782180100 /nfs/dbraw/zinc/18/01/00/782180100.db2.gz KCOQYYIJHBDOHZ-GVDBMIGSSA-N 1 1 329.400 0.407 20 30 ECEDMO C[C@H]1CC(=NNC(=S)NCCCN2CCOCC2)C[N@@H+]1C1CC1 ZINC000753955228 579409855 /nfs/dbraw/zinc/40/98/55/579409855.db2.gz LHDUTRASIABQSJ-ZDUSSCGKSA-N 1 1 339.509 0.785 20 30 ECEDMO C[C@H]1CC(=NNC(=S)NCCCN2CCOCC2)C[N@H+]1C1CC1 ZINC000753955228 579409856 /nfs/dbraw/zinc/40/98/56/579409856.db2.gz LHDUTRASIABQSJ-ZDUSSCGKSA-N 1 1 339.509 0.785 20 30 ECEDMO C[C@@H](NC(=O)CCNC(O)=C1N=CC=CC1=O)C(C)(C)C[NH+](C)C ZINC000754317992 579416251 /nfs/dbraw/zinc/41/62/51/579416251.db2.gz NLKRJNJAFQPRMN-IUDBQGPFSA-N 1 1 336.436 0.995 20 30 ECEDMO C[C@@H](NC(=O)CCNC(O)=C1N=CC=CC1=O)C(C)(C)C[NH+](C)C ZINC000754317995 579416311 /nfs/dbraw/zinc/41/63/11/579416311.db2.gz NLKRJNJAFQPRMN-KXEGMRRWSA-N 1 1 336.436 0.995 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 ZINC000755003113 579427661 /nfs/dbraw/zinc/42/76/61/579427661.db2.gz DWYGNAXHDKRVDM-UHFFFAOYSA-N 1 1 346.416 0.266 20 30 ECEDMO Cc1ccn(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(=O)c1C#N ZINC000758225137 579469186 /nfs/dbraw/zinc/46/91/86/579469186.db2.gz UCKPGICGCSISBU-INIZCTEOSA-N 1 1 329.448 0.698 20 30 ECEDMO C#CCCCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000758639465 579478506 /nfs/dbraw/zinc/47/85/06/579478506.db2.gz HHQFHLVVEANEIM-MRXNPFEDSA-N 1 1 335.448 0.619 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729503430 578296487 /nfs/dbraw/zinc/29/64/87/578296487.db2.gz XMBURNRHYZMCQE-GJZGRUSLSA-N 1 1 344.419 0.528 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000730096205 578303230 /nfs/dbraw/zinc/30/32/30/578303230.db2.gz JRXCCFFNRPZCCO-INIZCTEOSA-N 1 1 349.456 0.487 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000730096205 578303231 /nfs/dbraw/zinc/30/32/31/578303231.db2.gz JRXCCFFNRPZCCO-INIZCTEOSA-N 1 1 349.456 0.487 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCOCc2ccc(OC)cc2)CC1 ZINC000731031779 578310217 /nfs/dbraw/zinc/31/02/17/578310217.db2.gz GEHYMPHRFXPGDI-UHFFFAOYSA-N 1 1 345.443 0.579 20 30 ECEDMO Cn1c(CC#N)nn(CN2CCC[C@@H]2C[NH+]2CCOCC2)c1=S ZINC000794630935 578596364 /nfs/dbraw/zinc/59/63/64/578596364.db2.gz BDDPKUZHFZUEEB-CYBMUJFWSA-N 1 1 336.465 0.771 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000780919148 578702700 /nfs/dbraw/zinc/70/27/00/578702700.db2.gz QUQYRYNKCKCIAB-CVEARBPZSA-N 1 1 344.415 0.295 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000780943911 578703454 /nfs/dbraw/zinc/70/34/54/578703454.db2.gz OLFHOIMGMVSICU-ROUUACIJSA-N 1 1 342.443 0.830 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000781214008 578706430 /nfs/dbraw/zinc/70/64/30/578706430.db2.gz FOYAPXZJXSZJHJ-BBRMVZONSA-N 1 1 331.416 0.895 20 30 ECEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000782667596 578730820 /nfs/dbraw/zinc/73/08/20/578730820.db2.gz VCPLYGJHZGXUIG-CQSZACIVSA-N 1 1 332.408 0.678 20 30 ECEDMO C[C@@H](O)C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@@H](C)CO ZINC000785533377 578770645 /nfs/dbraw/zinc/77/06/45/578770645.db2.gz DNBPULXNGCCKGW-QWHCGFSZSA-N 1 1 330.388 0.484 20 30 ECEDMO C[C@@H](O)C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@@H](C)CO ZINC000785533377 578770646 /nfs/dbraw/zinc/77/06/46/578770646.db2.gz DNBPULXNGCCKGW-QWHCGFSZSA-N 1 1 330.388 0.484 20 30 ECEDMO C=CCNC(=O)COC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000785639980 578771798 /nfs/dbraw/zinc/77/17/98/578771798.db2.gz DRSLGENUEPYVTB-ZIAGYGMSSA-N 1 1 337.420 0.165 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)[N@@H+](C)C1CC1 ZINC000787780376 578817110 /nfs/dbraw/zinc/81/71/10/578817110.db2.gz WYFMSDSAZHECPQ-LBPRGKRZSA-N 1 1 344.419 0.080 20 30 ECEDMO CN(C(=O)C[NH2+]C1(CO)COC(C)(C)OC1)C1(C#N)CCCCC1 ZINC000788000939 578825225 /nfs/dbraw/zinc/82/52/25/578825225.db2.gz WSXLSYHIGOPSFT-UHFFFAOYSA-N 1 1 339.436 0.775 20 30 ECEDMO Cc1nn(C)c(N2CCN(c3nc(N(C)C)cc[nH+]3)CC2)c1C#N ZINC000788077627 578827020 /nfs/dbraw/zinc/82/70/20/578827020.db2.gz LSTFWXPKMWQRJD-UHFFFAOYSA-N 1 1 326.408 0.783 20 30 ECEDMO C#CCCC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000766894505 579096059 /nfs/dbraw/zinc/09/60/59/579096059.db2.gz CTXGNPWFTZOPKX-HUUCEWRRSA-N 1 1 329.466 0.371 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nccn3C)C2)CC1 ZINC000770003052 579157502 /nfs/dbraw/zinc/15/75/02/579157502.db2.gz JYWQEXDAUCXTFC-INIZCTEOSA-N 1 1 329.448 0.377 20 30 ECEDMO C#C[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1CCCO1 ZINC000773308981 579224550 /nfs/dbraw/zinc/22/45/50/579224550.db2.gz FOKLTIKGVMSYDU-LSDHHAIUSA-N 1 1 336.436 0.019 20 30 ECEDMO C#C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000775330891 579265634 /nfs/dbraw/zinc/26/56/34/579265634.db2.gz SDVKIFDDHSYZIY-JENIJYKNSA-N 1 1 328.412 0.920 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)[C@H]1CCCO1 ZINC000775784102 579271092 /nfs/dbraw/zinc/27/10/92/579271092.db2.gz GXPHMYANNYHOLB-IAGOWNOFSA-N 1 1 347.459 0.618 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1ccccc1SCC(N)=O)[C@@H]1CCCO1 ZINC000775789825 579271191 /nfs/dbraw/zinc/27/11/91/579271191.db2.gz DHKNFZILUNOJDR-JSGCOSHPSA-N 1 1 347.440 0.973 20 30 ECEDMO C#C[C@H]([NH2+][C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 ZINC000775789971 579271264 /nfs/dbraw/zinc/27/12/64/579271264.db2.gz NRYURULPQUIVJH-QPSCCSFWSA-N 1 1 342.461 0.181 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCCO1 ZINC000775798532 579271571 /nfs/dbraw/zinc/27/15/71/579271571.db2.gz KACUPFHRPYJFHV-QWHCGFSZSA-N 1 1 345.355 0.834 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCO1 ZINC000775800701 579271734 /nfs/dbraw/zinc/27/17/34/579271734.db2.gz TZPCHNAVMKTQPA-ZIAGYGMSSA-N 1 1 337.401 0.043 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NC[C@H]1COc2ccccc2O1)[C@H]1CCCO1 ZINC000775800981 579271757 /nfs/dbraw/zinc/27/17/57/579271757.db2.gz RGFNSXFCOAPLLB-SOUVJXGZSA-N 1 1 330.384 0.713 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000776592703 579285438 /nfs/dbraw/zinc/28/54/38/579285438.db2.gz KWAZDKMBLXNKKF-INIZCTEOSA-N 1 1 343.427 0.584 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000779778176 579320544 /nfs/dbraw/zinc/32/05/44/579320544.db2.gz ZLJDMCCJXTXXBQ-UHFFFAOYSA-N 1 1 339.387 0.601 20 30 ECEDMO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000779792769 579320888 /nfs/dbraw/zinc/32/08/88/579320888.db2.gz UGUVYDRDAFDGAS-LLVKDONJSA-N 1 1 335.433 0.888 20 30 ECEDMO C#CCCCC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000760279321 579507733 /nfs/dbraw/zinc/50/77/33/579507733.db2.gz LYSPZBDFKQLFBW-UHFFFAOYSA-N 1 1 348.491 0.487 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCc2ccc(CC)cc2)CC1 ZINC000761038688 579519892 /nfs/dbraw/zinc/51/98/92/579519892.db2.gz QVYPJRWYBKWNSY-UHFFFAOYSA-N 1 1 335.473 0.877 20 30 ECEDMO CC[N@H+]1CCC(=NNC(=S)NCCN2CCOCC2)[C@@H](C)C1 ZINC000741457552 579774632 /nfs/dbraw/zinc/77/46/32/579774632.db2.gz MVFSUHJDQCDMJY-ZDUSSCGKSA-N 1 1 327.498 0.500 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)CC1 ZINC000744371317 579808873 /nfs/dbraw/zinc/80/88/73/579808873.db2.gz SIPAQIANVUNMNM-SFHVURJKSA-N 1 1 341.411 0.968 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000619780618 583000404 /nfs/dbraw/zinc/00/04/04/583000404.db2.gz WNMSLNWANRWRLY-LLVKDONJSA-N 1 1 340.453 0.009 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)C[C@@H]21 ZINC000835794884 588917672 /nfs/dbraw/zinc/91/76/72/588917672.db2.gz GYVHGDJYLYWIQK-RISCZKNCSA-N 1 1 346.362 0.829 20 30 ECEDMO C#Cc1cccc(CNC(=O)NC2CC[NH+](CC(=O)NC)CC2)c1 ZINC000836217040 588928478 /nfs/dbraw/zinc/92/84/78/588928478.db2.gz PVVDYGFOWPCJLA-UHFFFAOYSA-N 1 1 328.416 0.678 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCCNc1ccc(C#N)cn1 ZINC000842175933 589017361 /nfs/dbraw/zinc/01/73/61/589017361.db2.gz YAZHUYNVHWYKRS-ZIAGYGMSSA-N 1 1 346.435 0.462 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000890856715 586067601 /nfs/dbraw/zinc/06/76/01/586067601.db2.gz BAIGTBMZRZXHPV-INIZCTEOSA-N 1 1 349.456 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000890856715 586067603 /nfs/dbraw/zinc/06/76/03/586067603.db2.gz BAIGTBMZRZXHPV-INIZCTEOSA-N 1 1 349.456 0.796 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CC(c2cc(C(=O)OC)n[nH]2)C1 ZINC000895057199 586158652 /nfs/dbraw/zinc/15/86/52/586158652.db2.gz SRPIIRUEVIIJGH-UHFFFAOYSA-N 1 1 333.392 0.260 20 30 ECEDMO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895161941 586167121 /nfs/dbraw/zinc/16/71/21/586167121.db2.gz INGOMDALWDMSKF-CQSZACIVSA-N 1 1 338.408 0.921 20 30 ECEDMO CN(C)CC[NH+]1CCC(NC(=O)NCC#C[C@@H]2CCCCO2)CC1 ZINC000891805997 586197951 /nfs/dbraw/zinc/19/79/51/586197951.db2.gz TXXHSQNVTIBAHE-KRWDZBQOSA-N 1 1 336.480 0.884 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccnc(C#N)c3)CC2)CC1 ZINC000896232287 586229649 /nfs/dbraw/zinc/22/96/49/586229649.db2.gz IFWBUFRTEBKGBW-UHFFFAOYSA-N 1 1 342.403 0.078 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000896232995 586229722 /nfs/dbraw/zinc/22/97/22/586229722.db2.gz OWPUQFMRVXDRFX-UHFFFAOYSA-N 1 1 341.415 0.188 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896237891 586231048 /nfs/dbraw/zinc/23/10/48/586231048.db2.gz XUOVXBLDYPWRIN-UHFFFAOYSA-N 1 1 344.419 0.022 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCO[C@](C)(C#N)C2)CC1 ZINC000893237654 586318873 /nfs/dbraw/zinc/31/88/73/586318873.db2.gz IOPWPIABXWEUSV-DOTOQJQBSA-N 1 1 337.468 0.584 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000899139592 586473636 /nfs/dbraw/zinc/47/36/36/586473636.db2.gz JVPLVKAHMXQMQP-UHFFFAOYSA-N 1 1 342.443 0.998 20 30 ECEDMO N#Cc1csc(CNC(=S)NCCC[NH+]2CCOCC2)n1 ZINC000899644730 586493434 /nfs/dbraw/zinc/49/34/34/586493434.db2.gz XAKIIDNGWLHGCD-UHFFFAOYSA-N 1 1 325.463 0.701 20 30 ECEDMO Cc1cc(C(=O)NCC[N@@H+](C)CCO)nn1-c1cccc(C#N)c1 ZINC000899737899 586504909 /nfs/dbraw/zinc/50/49/09/586504909.db2.gz SRODKXWNENJRPW-UHFFFAOYSA-N 1 1 327.388 0.706 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000843249493 589056327 /nfs/dbraw/zinc/05/63/27/589056327.db2.gz AUFMCMIPKOOOKB-MRXNPFEDSA-N 1 1 349.475 0.554 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)N1CCCC1 ZINC000838868512 586828178 /nfs/dbraw/zinc/82/81/78/586828178.db2.gz BPKJOCVAAVFXBR-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CCC1(O)CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000905549085 586901825 /nfs/dbraw/zinc/90/18/25/586901825.db2.gz OVWFPBRRCRETKU-UHFFFAOYSA-N 1 1 325.478 0.433 20 30 ECEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905904017 586921245 /nfs/dbraw/zinc/92/12/45/586921245.db2.gz HCNXZXKYPDGDDC-KDOFPFPSSA-N 1 1 349.406 0.722 20 30 ECEDMO N#Cc1ccccc1N1CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905927478 586923137 /nfs/dbraw/zinc/92/31/37/586923137.db2.gz PHAPMYJHABWXEZ-FUHWJXTLSA-N 1 1 331.416 0.583 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC[N@H+]1C ZINC000806042013 586954091 /nfs/dbraw/zinc/95/40/91/586954091.db2.gz NHHKQPMJJBSTHV-OCCSQVGLSA-N 1 1 344.419 0.080 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C#N ZINC000806041354 586954333 /nfs/dbraw/zinc/95/43/33/586954333.db2.gz VZQCQSCQTVQIRU-IUODEOHRSA-N 1 1 344.415 0.782 20 30 ECEDMO CC#CC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000801136385 586982497 /nfs/dbraw/zinc/98/24/97/586982497.db2.gz FYVOXWXWWHXEKY-UHFFFAOYSA-N 1 1 329.400 0.987 20 30 ECEDMO N#Cc1ccc(N2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cn1 ZINC000801552543 586999110 /nfs/dbraw/zinc/99/91/10/586999110.db2.gz DVCTUJSBDYEWGA-HDICACEKSA-N 1 1 327.432 0.938 20 30 ECEDMO N#Cc1ccc(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cn1 ZINC000801552543 586999111 /nfs/dbraw/zinc/99/91/11/586999111.db2.gz DVCTUJSBDYEWGA-HDICACEKSA-N 1 1 327.432 0.938 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)cn1 ZINC000801552543 586999113 /nfs/dbraw/zinc/99/91/13/586999113.db2.gz DVCTUJSBDYEWGA-HDICACEKSA-N 1 1 327.432 0.938 20 30 ECEDMO C[C@@H](C#N)OCC[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000801912620 587005813 /nfs/dbraw/zinc/00/58/13/587005813.db2.gz XONWHYWNUZUCTJ-ZDUSSCGKSA-N 1 1 347.444 0.802 20 30 ECEDMO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000801939517 587006565 /nfs/dbraw/zinc/00/65/65/587006565.db2.gz PVJQONJGYZHKKM-KBPBESRZSA-N 1 1 331.438 0.041 20 30 ECEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000801939517 587006568 /nfs/dbraw/zinc/00/65/68/587006568.db2.gz PVJQONJGYZHKKM-KBPBESRZSA-N 1 1 331.438 0.041 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000907293179 587033497 /nfs/dbraw/zinc/03/34/97/587033497.db2.gz CYHBNBRWSCUKSE-MRXNPFEDSA-N 1 1 334.441 0.888 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000907328937 587036073 /nfs/dbraw/zinc/03/60/73/587036073.db2.gz JMJGYWRHJSBWLW-UHFFFAOYSA-N 1 1 335.429 0.062 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000907382344 587038804 /nfs/dbraw/zinc/03/88/04/587038804.db2.gz HCGFDRLHEUROIY-WMLDXEAASA-N 1 1 329.404 0.057 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000803209018 587055803 /nfs/dbraw/zinc/05/58/03/587055803.db2.gz JWRGZBCFUMQLNX-QWHCGFSZSA-N 1 1 327.450 0.001 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000809308923 587174309 /nfs/dbraw/zinc/17/43/09/587174309.db2.gz NORPGIJZTXXBOH-HUUCEWRRSA-N 1 1 332.404 0.337 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@@H]1CCCO1 ZINC000809314137 587175403 /nfs/dbraw/zinc/17/54/03/587175403.db2.gz YNTKEKQHXSUHHN-JONQDZQNSA-N 1 1 333.432 0.226 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ncc(C#N)cc2C)CC1 ZINC000815339674 587288694 /nfs/dbraw/zinc/28/86/94/587288694.db2.gz WOCYXMZDQBVNOH-CYBMUJFWSA-N 1 1 330.388 0.971 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000815861803 587300487 /nfs/dbraw/zinc/30/04/87/587300487.db2.gz ZZOOOWZDNMDFMR-UHFFFAOYSA-N 1 1 342.403 0.287 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC ZINC000815860210 587300558 /nfs/dbraw/zinc/30/05/58/587300558.db2.gz AYCIUEDIVSWJRO-UHFFFAOYSA-N 1 1 334.376 0.120 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000817839037 587388582 /nfs/dbraw/zinc/38/85/82/587388582.db2.gz GAODQKRBHSJVSA-GUYCJALGSA-N 1 1 325.412 0.883 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000817839442 587388695 /nfs/dbraw/zinc/38/86/95/587388695.db2.gz LODNQXRMNNLYRS-XJKSGUPXSA-N 1 1 329.400 0.119 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000817839442 587388696 /nfs/dbraw/zinc/38/86/96/587388696.db2.gz LODNQXRMNNLYRS-XJKSGUPXSA-N 1 1 329.400 0.119 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000818612389 587441027 /nfs/dbraw/zinc/44/10/27/587441027.db2.gz YHPXZHFPYJUDNP-UHFFFAOYSA-N 1 1 337.445 0.338 20 30 ECEDMO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@H](C)C#N)CC2)cc1 ZINC000819046938 587465722 /nfs/dbraw/zinc/46/57/22/587465722.db2.gz FXSRZYLFZOXSRK-WBVHZDCISA-N 1 1 332.448 0.927 20 30 ECEDMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(O)C2=O)[C@H](c2cnn(C)c2)C1 ZINC000820133687 587512203 /nfs/dbraw/zinc/51/22/03/587512203.db2.gz YZUNZOJWQGUTJF-SOUVJXGZSA-N 1 1 349.435 0.340 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000827436877 588120558 /nfs/dbraw/zinc/12/05/58/588120558.db2.gz YOQAPMLQHYMRIG-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000828596346 588192085 /nfs/dbraw/zinc/19/20/85/588192085.db2.gz UMWQWVHKGCAQQH-UHFFFAOYSA-N 1 1 349.475 0.723 20 30 ECEDMO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829987770 588352478 /nfs/dbraw/zinc/35/24/78/588352478.db2.gz IDVKNRMZOXNDDM-UZGISAJGSA-N 1 1 339.417 0.317 20 30 ECEDMO CC(C)(C)OC(=O)N1CCN(CC[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000829998675 588353108 /nfs/dbraw/zinc/35/31/08/588353108.db2.gz PQFQGSHDBPFXRZ-KRWDZBQOSA-N 1 1 338.452 0.890 20 30 ECEDMO CN(C[C@@](C)(O)C[N@H+]1CC[C@](O)(CC#N)C1)C(=O)OC(C)(C)C ZINC000844345351 589108951 /nfs/dbraw/zinc/10/89/51/589108951.db2.gz ANOGRKKCCYLNAX-HZPDHXFCSA-N 1 1 327.425 0.955 20 30 ECEDMO CCS(=O)(=O)NCCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368018 589109510 /nfs/dbraw/zinc/10/95/10/589109510.db2.gz WCDOCKUBSODYAO-OAHLLOKOSA-N 1 1 325.434 0.853 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C1 ZINC000844407931 589110727 /nfs/dbraw/zinc/11/07/27/589110727.db2.gz DNVBRRYLYHPAIP-ZIAGYGMSSA-N 1 1 339.436 0.597 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C1 ZINC000844407931 589110728 /nfs/dbraw/zinc/11/07/28/589110728.db2.gz DNVBRRYLYHPAIP-ZIAGYGMSSA-N 1 1 339.436 0.597 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)cc(N(C)C)c1 ZINC000845979136 589179452 /nfs/dbraw/zinc/17/94/52/589179452.db2.gz BQKPZGTUDUFPRU-UHFFFAOYSA-N 1 1 334.395 0.902 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C[C@@H](O)C[N@H+](C)CCOC)c1 ZINC000846775569 589223809 /nfs/dbraw/zinc/22/38/09/589223809.db2.gz QGIDOZWVLGTWKA-KRWDZBQOSA-N 1 1 333.432 0.477 20 30 ECEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000847030413 589233133 /nfs/dbraw/zinc/23/31/33/589233133.db2.gz MVPITSARSPXAID-CYBMUJFWSA-N 1 1 347.440 0.568 20 30 ECEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000847030413 589233136 /nfs/dbraw/zinc/23/31/36/589233136.db2.gz MVPITSARSPXAID-CYBMUJFWSA-N 1 1 347.440 0.568 20 30 ECEDMO C#C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000847318050 589241939 /nfs/dbraw/zinc/24/19/39/589241939.db2.gz CWLRFXHSZASMCP-SJORKVTESA-N 1 1 334.464 0.448 20 30 ECEDMO C#CCOCC[NH+]1CCN(CC(=O)Nc2ccccc2OC)CC1 ZINC000851862274 589429648 /nfs/dbraw/zinc/42/96/48/589429648.db2.gz WNUYZKHRSSOTQV-UHFFFAOYSA-N 1 1 331.416 0.901 20 30 ECEDMO C#C[C@@H](NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C1CCOCC1 ZINC000852183113 589448597 /nfs/dbraw/zinc/44/85/97/589448597.db2.gz FOEHQLGNYYHYKD-DOTOQJQBSA-N 1 1 336.480 0.598 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CON=C[C@H]2CCCO2)C1 ZINC000853753326 589557641 /nfs/dbraw/zinc/55/76/41/589557641.db2.gz HPCCYZITKIRGAJ-CABCVRRESA-N 1 1 327.425 0.641 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000854094051 589571218 /nfs/dbraw/zinc/57/12/18/589571218.db2.gz CEDSVECHVVJGNQ-CVEARBPZSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C ZINC000854717805 589602171 /nfs/dbraw/zinc/60/21/71/589602171.db2.gz SQPKKXMCDWFWOY-OLZOCXBDSA-N 1 1 325.409 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C ZINC000854717805 589602173 /nfs/dbraw/zinc/60/21/73/589602173.db2.gz SQPKKXMCDWFWOY-OLZOCXBDSA-N 1 1 325.409 0.086 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856254693 589658183 /nfs/dbraw/zinc/65/81/83/589658183.db2.gz YCXOCDUTHHVBNL-INIZCTEOSA-N 1 1 342.395 0.824 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000859770359 589715073 /nfs/dbraw/zinc/71/50/73/589715073.db2.gz DHFLGZJYOBLTTE-UHFFFAOYSA-N 1 1 346.431 0.968 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000858191965 589730527 /nfs/dbraw/zinc/73/05/27/589730527.db2.gz CTDMOSIIURHMBO-LSDHHAIUSA-N 1 1 338.452 0.301 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000860197615 589751670 /nfs/dbraw/zinc/75/16/70/589751670.db2.gz XNDJAHWYISBEIU-GOEBONIOSA-N 1 1 337.445 0.853 20 30 ECEDMO CN(C[C@H](O)c1cccc(C#N)c1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000867458693 589787985 /nfs/dbraw/zinc/78/79/85/589787985.db2.gz ZDODGKJCZOBUML-HNNXBMFYSA-N 1 1 337.445 0.947 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000859031604 589794227 /nfs/dbraw/zinc/79/42/27/589794227.db2.gz JNONJHHYQGICAK-XNHLSEOASA-N 1 1 348.491 0.977 20 30 ECEDMO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CCCCNC1=O ZINC000859118652 589800924 /nfs/dbraw/zinc/80/09/24/589800924.db2.gz GOJFARLXEHUYOT-INIZCTEOSA-N 1 1 339.395 0.887 20 30 ECEDMO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CCCCNC1=O ZINC000859118652 589800926 /nfs/dbraw/zinc/80/09/26/589800926.db2.gz GOJFARLXEHUYOT-INIZCTEOSA-N 1 1 339.395 0.887 20 30 ECEDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C[C@@H]21 ZINC000859313440 589820441 /nfs/dbraw/zinc/82/04/41/589820441.db2.gz UXZLFPFHEXGVCW-ZSHCYNCHSA-N 1 1 338.363 0.637 20 30 ECEDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C[C@@H]21 ZINC000859313440 589820443 /nfs/dbraw/zinc/82/04/43/589820443.db2.gz UXZLFPFHEXGVCW-ZSHCYNCHSA-N 1 1 338.363 0.637 20 30 ECEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)CCOCC1 ZINC000859318800 589820993 /nfs/dbraw/zinc/82/09/93/589820993.db2.gz JKXDQJNMBCQAAF-HUUCEWRRSA-N 1 1 337.420 0.832 20 30 ECEDMO CN1CC[NH+](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000867816951 589849539 /nfs/dbraw/zinc/84/95/39/589849539.db2.gz QLWZGXCDEQXXQL-UHFFFAOYSA-N 1 1 348.472 0.959 20 30 ECEDMO CN1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C(C)(C)C1=O ZINC000867927509 589863805 /nfs/dbraw/zinc/86/38/05/589863805.db2.gz HUPSRBXUQFUEDJ-HNNXBMFYSA-N 1 1 326.400 0.824 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cn(C)nc1-c1ccco1 ZINC000861872803 589900625 /nfs/dbraw/zinc/90/06/25/589900625.db2.gz ZJGRDFXVGKHEJK-UHFFFAOYSA-N 1 1 343.387 0.690 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000868653083 589919438 /nfs/dbraw/zinc/91/94/38/589919438.db2.gz PYANOSJJCYZFQF-CQSZACIVSA-N 1 1 348.369 0.794 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000868653083 589919440 /nfs/dbraw/zinc/91/94/40/589919440.db2.gz PYANOSJJCYZFQF-CQSZACIVSA-N 1 1 348.369 0.794 20 30 ECEDMO C#CCNC(=O)CC[NH2+]Cc1c(I)cnn1C ZINC000872242797 590107549 /nfs/dbraw/zinc/10/75/49/590107549.db2.gz OJZKNWDPMRSLPP-UHFFFAOYSA-N 1 1 346.172 0.254 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(n1)CCCC2 ZINC000873895896 590209559 /nfs/dbraw/zinc/20/95/59/590209559.db2.gz GRRMSIUAWWGZKG-UHFFFAOYSA-N 1 1 328.416 0.970 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)n(CCC#N)n1 ZINC000874171594 590224032 /nfs/dbraw/zinc/22/40/32/590224032.db2.gz DOLHFVHLHPXCJU-ZIAGYGMSSA-N 1 1 344.419 0.596 20 30 ECEDMO CON=C(C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1csc(N)n1 ZINC000874243632 590228041 /nfs/dbraw/zinc/22/80/41/590228041.db2.gz MAPNKLYHGLGBAB-JTQLQIEISA-N 1 1 325.438 0.922 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000874456647 590241738 /nfs/dbraw/zinc/24/17/38/590241738.db2.gz NLAGISHEYKQPBE-SXXBIRCQSA-N 1 1 332.404 0.646 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000874456647 590241739 /nfs/dbraw/zinc/24/17/39/590241739.db2.gz NLAGISHEYKQPBE-SXXBIRCQSA-N 1 1 332.404 0.646 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000875049054 590265143 /nfs/dbraw/zinc/26/51/43/590265143.db2.gz YEVZFAUTOPSNJW-DLBZAZTESA-N 1 1 338.496 0.986 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000875059658 590266041 /nfs/dbraw/zinc/26/60/41/590266041.db2.gz YIOANQKFDVFRAH-KGLIPLIRSA-N 1 1 337.445 0.622 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000875118053 590272969 /nfs/dbraw/zinc/27/29/69/590272969.db2.gz PPSNLVVQSIXBJX-MRXNPFEDSA-N 1 1 331.416 0.389 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000875207352 590281977 /nfs/dbraw/zinc/28/19/77/590281977.db2.gz XKGBWGWOTHJFMS-DOTOQJQBSA-N 1 1 345.443 0.778 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000875456361 590303104 /nfs/dbraw/zinc/30/31/04/590303104.db2.gz CWZGGSGSSYFIHN-HUUCEWRRSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000875465389 590304144 /nfs/dbraw/zinc/30/41/44/590304144.db2.gz QBGCJHZQOFPSOZ-DLBZAZTESA-N 1 1 343.427 0.532 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000875465389 590304145 /nfs/dbraw/zinc/30/41/45/590304145.db2.gz QBGCJHZQOFPSOZ-DLBZAZTESA-N 1 1 343.427 0.532 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000875599242 590312738 /nfs/dbraw/zinc/31/27/38/590312738.db2.gz OXMJPLLKPXQLPD-OAGGEKHMSA-N 1 1 337.464 0.862 20 30 ECEDMO C#C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000875723019 590325422 /nfs/dbraw/zinc/32/54/22/590325422.db2.gz URARDIRKEGKGEP-CVEARBPZSA-N 1 1 328.416 1.000 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c(OC)c1 ZINC000879613846 590328887 /nfs/dbraw/zinc/32/88/87/590328887.db2.gz HNNYXBBKMWCEBG-OAGGEKHMSA-N 1 1 337.416 0.591 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000880069108 590365131 /nfs/dbraw/zinc/36/51/31/590365131.db2.gz WAKKYAUOILIEHX-BBWFWOEESA-N 1 1 331.416 0.439 20 30 ECEDMO CS(=O)(=O)C1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876679737 590397502 /nfs/dbraw/zinc/39/75/02/590397502.db2.gz JWEJCKVSSABVLC-MRXNPFEDSA-N 1 1 347.440 0.781 20 30 ECEDMO N#Cc1cnc(Cl)c(C[NH2+]CCS(=O)(=O)N2CCOCC2)c1 ZINC000877022320 590434080 /nfs/dbraw/zinc/43/40/80/590434080.db2.gz UDHINJJKCNHYLF-UHFFFAOYSA-N 1 1 344.824 0.358 20 30 ECEDMO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000877146001 590440679 /nfs/dbraw/zinc/44/06/79/590440679.db2.gz OMJCLEOOTHGSJT-STQMWFEESA-N 1 1 328.844 0.268 20 30 ECEDMO COCCOCc1cc(C#N)ccc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000881833023 590478725 /nfs/dbraw/zinc/47/87/25/590478725.db2.gz SLSUJAHEPAEDML-UHFFFAOYSA-N 1 1 346.431 0.719 20 30 ECEDMO COCCOCc1cc(C#N)ccc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000881833023 590478728 /nfs/dbraw/zinc/47/87/28/590478728.db2.gz SLSUJAHEPAEDML-UHFFFAOYSA-N 1 1 346.431 0.719 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@H](O)CC3(O)CCCC3)CC2)c1C#N ZINC000878494918 590524850 /nfs/dbraw/zinc/52/48/50/590524850.db2.gz RBENWIDEBNWLHA-OAHLLOKOSA-N 1 1 347.463 0.778 20 30 ECEDMO CCc1ccc(C[NH+]2CCN(C(=O)NCC(=O)NCC#N)CC2)cc1 ZINC000883696174 590652452 /nfs/dbraw/zinc/65/24/52/590652452.db2.gz YCANEQVCKQNIIG-UHFFFAOYSA-N 1 1 343.431 0.716 20 30 ECEDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000883893619 590678257 /nfs/dbraw/zinc/67/82/57/590678257.db2.gz ODWMMMWOMYARHX-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(-n3cncn3)nc2)C1 ZINC000884073510 590732804 /nfs/dbraw/zinc/73/28/04/590732804.db2.gz MIWVYQZAHAKRQQ-HNNXBMFYSA-N 1 1 339.403 0.559 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(-n3cncn3)nc2)C1 ZINC000884073510 590732807 /nfs/dbraw/zinc/73/28/07/590732807.db2.gz MIWVYQZAHAKRQQ-HNNXBMFYSA-N 1 1 339.403 0.559 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(C(=O)CNC(=O)c3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000887929005 591021307 /nfs/dbraw/zinc/02/13/07/591021307.db2.gz DSVUQKAINZHYIJ-QAPCUYQASA-N 1 1 326.400 0.698 20 30 ECEDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000889951761 591112988 /nfs/dbraw/zinc/11/29/88/591112988.db2.gz CLWIQGVSEXMTAU-CQSZACIVSA-N 1 1 329.404 0.885 20 30 ECEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000889951761 591112992 /nfs/dbraw/zinc/11/29/92/591112992.db2.gz CLWIQGVSEXMTAU-CQSZACIVSA-N 1 1 329.404 0.885 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC000890361260 591150347 /nfs/dbraw/zinc/15/03/47/591150347.db2.gz MWMCFOFEMRICAZ-NXEZZACHSA-N 1 1 343.296 0.942 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC000890361260 591150350 /nfs/dbraw/zinc/15/03/50/591150350.db2.gz MWMCFOFEMRICAZ-NXEZZACHSA-N 1 1 343.296 0.942 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)C1 ZINC000890361515 591151127 /nfs/dbraw/zinc/15/11/27/591151127.db2.gz SPQALSZQIWBFDJ-CXAGYDPISA-N 1 1 348.403 0.187 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)C1 ZINC000890361515 591151129 /nfs/dbraw/zinc/15/11/29/591151129.db2.gz SPQALSZQIWBFDJ-CXAGYDPISA-N 1 1 348.403 0.187 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCOCC3(CCOCC3)C2)C1 ZINC000890367529 591153107 /nfs/dbraw/zinc/15/31/07/591153107.db2.gz NWRAASGCYQJBAW-INIZCTEOSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCOCC3(CCOCC3)C2)C1 ZINC000890367529 591153111 /nfs/dbraw/zinc/15/31/11/591153111.db2.gz NWRAASGCYQJBAW-INIZCTEOSA-N 1 1 335.448 0.923 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2CC1 ZINC000946586564 611355489 /nfs/dbraw/zinc/35/54/89/611355489.db2.gz MPXFFCVKCVCPMM-OWCLPIDISA-N 1 1 343.427 0.375 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CCn1cncn1 ZINC000947170336 611440732 /nfs/dbraw/zinc/44/07/32/611440732.db2.gz FNCFRILVEPYYHK-TZMCWYRMSA-N 1 1 327.392 0.761 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000930661870 611452211 /nfs/dbraw/zinc/45/22/11/611452211.db2.gz OLWDCCYGTSRGPH-UHFFFAOYSA-N 1 1 342.403 0.648 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946751858 611453132 /nfs/dbraw/zinc/45/31/32/611453132.db2.gz HJYSMTNUKVGHAC-IYBDPMFKSA-N 1 1 326.400 0.714 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930820987 611468808 /nfs/dbraw/zinc/46/88/08/611468808.db2.gz JGPLMGUMDOEIEI-OLZOCXBDSA-N 1 1 338.477 0.738 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930820987 611468809 /nfs/dbraw/zinc/46/88/09/611468809.db2.gz JGPLMGUMDOEIEI-OLZOCXBDSA-N 1 1 338.477 0.738 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2CC1 ZINC000946788155 611480154 /nfs/dbraw/zinc/48/01/54/611480154.db2.gz LTQJVYITTIWRLY-UUAJXVIYSA-N 1 1 349.475 0.882 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000931145116 611511340 /nfs/dbraw/zinc/51/13/40/611511340.db2.gz NXKKFCXBRRKMRN-UHFFFAOYSA-N 1 1 341.455 0.791 20 30 ECEDMO C#CC1(O)CC[NH+]([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000931146898 611511568 /nfs/dbraw/zinc/51/15/68/611511568.db2.gz MLRFHJFEMMQFRH-CABCVRRESA-N 1 1 344.411 0.791 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC1 ZINC000931145334 611511592 /nfs/dbraw/zinc/51/15/92/611511592.db2.gz HISQZZZREBMDFA-UHFFFAOYSA-N 1 1 346.383 0.370 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000947454084 611544509 /nfs/dbraw/zinc/54/45/09/611544509.db2.gz CVLPNAUQUVQAEN-JQWIXIFHSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)C[C@H]1C ZINC000947491993 611562648 /nfs/dbraw/zinc/56/26/48/611562648.db2.gz DKUFDWLANDKYHL-GDBMZVCRSA-N 1 1 331.416 0.711 20 30 ECEDMO CC[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cccc(C#N)c1O ZINC000926775695 611567589 /nfs/dbraw/zinc/56/75/89/611567589.db2.gz YZXZJZVZEOBHBF-AWEZNQCLSA-N 1 1 338.433 0.795 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000932037808 611594081 /nfs/dbraw/zinc/59/40/81/611594081.db2.gz FHEJMMLMYIWTHS-INIZCTEOSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NCCNc2cccc(C)[nH+]2)CC1 ZINC000927474331 611605649 /nfs/dbraw/zinc/60/56/49/611605649.db2.gz FCQNMDRHEJJYLJ-UHFFFAOYSA-N 1 1 343.431 0.973 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@H]1C ZINC000947594160 611611206 /nfs/dbraw/zinc/61/12/06/611611206.db2.gz UFBSHQLEIUWKTJ-KGLIPLIRSA-N 1 1 327.388 0.098 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@@H]1C ZINC000947594159 611611232 /nfs/dbraw/zinc/61/12/32/611611232.db2.gz UFBSHQLEIUWKTJ-KBPBESRZSA-N 1 1 327.388 0.098 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000947615310 611620398 /nfs/dbraw/zinc/62/03/98/611620398.db2.gz HPDAONRXSNZEFT-WFASDCNBSA-N 1 1 339.403 0.865 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947368848 608597963 /nfs/dbraw/zinc/59/79/63/608597963.db2.gz BJOBLVIOIADJFI-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937353642 608610531 /nfs/dbraw/zinc/61/05/31/608610531.db2.gz VFIUTSJIZYKWDG-HZPDHXFCSA-N 1 1 333.432 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937353642 608610532 /nfs/dbraw/zinc/61/05/32/608610532.db2.gz VFIUTSJIZYKWDG-HZPDHXFCSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 ZINC000949326194 608636205 /nfs/dbraw/zinc/63/62/05/608636205.db2.gz HDBGJOKUKKONNL-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC000949433555 608677416 /nfs/dbraw/zinc/67/74/16/608677416.db2.gz ZANGLQFSPMIMSI-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC000949433555 608677418 /nfs/dbraw/zinc/67/74/18/608677418.db2.gz ZANGLQFSPMIMSI-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO N#Cc1ccsc1NC(=O)C(=O)NCCCCC[NH+]1CCNCC1 ZINC000927870963 611648547 /nfs/dbraw/zinc/64/85/47/611648547.db2.gz XDGRKPIQCCKELJ-UHFFFAOYSA-N 1 1 349.460 0.750 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H]1C ZINC000947442862 608720823 /nfs/dbraw/zinc/72/08/23/608720823.db2.gz ZXCZDSNQDRGDEM-ZFWWWQNUSA-N 1 1 338.473 0.804 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000947037428 611657836 /nfs/dbraw/zinc/65/78/36/611657836.db2.gz YEJJXMDWAMHCDR-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2[nH]cnc2C)CC1 ZINC000947228755 608762484 /nfs/dbraw/zinc/76/24/84/608762484.db2.gz XUUHDUCXUHFXMV-HNNXBMFYSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2[nH]cnc2C)CC1 ZINC000947228755 608762486 /nfs/dbraw/zinc/76/24/86/608762486.db2.gz XUUHDUCXUHFXMV-HNNXBMFYSA-N 1 1 343.431 0.537 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H]2CO)CC1 ZINC000934017963 608788828 /nfs/dbraw/zinc/78/88/28/608788828.db2.gz UZTPFOAFZGVPNI-ZIAGYGMSSA-N 1 1 334.445 0.524 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]2CO)CC1 ZINC000934017963 608788830 /nfs/dbraw/zinc/78/88/30/608788830.db2.gz UZTPFOAFZGVPNI-ZIAGYGMSSA-N 1 1 334.445 0.524 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cccn2C)CC1 ZINC000947229984 608810024 /nfs/dbraw/zinc/81/00/24/608810024.db2.gz JUTPVDUBZUOLTN-KRWDZBQOSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cccn2C)CC1 ZINC000947229984 608810027 /nfs/dbraw/zinc/81/00/27/608810027.db2.gz JUTPVDUBZUOLTN-KRWDZBQOSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCCCO2)CC1 ZINC000947230485 608821617 /nfs/dbraw/zinc/82/16/17/608821617.db2.gz SVWGZCHODLMRHP-IRXDYDNUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCCCO2)CC1 ZINC000947230485 608821618 /nfs/dbraw/zinc/82/16/18/608821618.db2.gz SVWGZCHODLMRHP-IRXDYDNUSA-N 1 1 347.459 0.760 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000948598715 611666049 /nfs/dbraw/zinc/66/60/49/611666049.db2.gz MDEBLSLUZVYNLZ-LSDHHAIUSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000948598715 611666050 /nfs/dbraw/zinc/66/60/50/611666050.db2.gz MDEBLSLUZVYNLZ-LSDHHAIUSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C[C@@H]1C ZINC000947523919 608858098 /nfs/dbraw/zinc/85/80/98/608858098.db2.gz KZNBPMCKVZSPKK-ZFWWWQNUSA-N 1 1 329.400 0.767 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C[C@H]1C ZINC000947547451 608885041 /nfs/dbraw/zinc/88/50/41/608885041.db2.gz RFFIRNLKYNQFBC-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000936913541 608911272 /nfs/dbraw/zinc/91/12/72/608911272.db2.gz SFMDISIEBYVRLL-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)c2cn(CCOC)c(C)cc2=O)CC1 ZINC000928653451 608922230 /nfs/dbraw/zinc/92/22/30/608922230.db2.gz MQNZSPVLCSMKFE-UHFFFAOYSA-N 1 1 331.416 0.631 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CON=C(N)c2ccccc2)C1 ZINC000178114235 608948016 /nfs/dbraw/zinc/94/80/16/608948016.db2.gz DFYBGVXMSKGEPK-INIZCTEOSA-N 1 1 348.447 0.797 20 30 ECEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)NCC#CCO)cc2)CC1 ZINC000923787651 608963730 /nfs/dbraw/zinc/96/37/30/608963730.db2.gz RSJMEBJNMJYXPC-UHFFFAOYSA-N 1 1 344.459 0.619 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)F ZINC000937148211 609001082 /nfs/dbraw/zinc/00/10/82/609001082.db2.gz FBAVXRKBWQRPIU-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)F ZINC000937148211 609001085 /nfs/dbraw/zinc/00/10/85/609001085.db2.gz FBAVXRKBWQRPIU-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC000936758537 609057699 /nfs/dbraw/zinc/05/76/99/609057699.db2.gz JXQWQFATNXECQO-OLZOCXBDSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC000936758537 609057703 /nfs/dbraw/zinc/05/77/03/609057703.db2.gz JXQWQFATNXECQO-OLZOCXBDSA-N 1 1 347.444 0.309 20 30 ECEDMO C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)S(C)(=O)=O)CCO2 ZINC000949120964 609064704 /nfs/dbraw/zinc/06/47/04/609064704.db2.gz MLLIGKRPXSGYSB-AWEZNQCLSA-N 1 1 344.477 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cscn2)C1 ZINC000937964169 609423414 /nfs/dbraw/zinc/42/34/14/609423414.db2.gz UKWNBDQDIMCSIJ-ZFWWWQNUSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cscn2)C1 ZINC000937964169 609423416 /nfs/dbraw/zinc/42/34/16/609423416.db2.gz UKWNBDQDIMCSIJ-ZFWWWQNUSA-N 1 1 346.456 0.500 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC000937971580 609443297 /nfs/dbraw/zinc/44/32/97/609443297.db2.gz YNXGYZOZJHSQAJ-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CCCOC2)C1 ZINC000937990695 609449621 /nfs/dbraw/zinc/44/96/21/609449621.db2.gz JQFNBGGPSXXVHO-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CCCOC2)C1 ZINC000937990695 609449623 /nfs/dbraw/zinc/44/96/23/609449623.db2.gz JQFNBGGPSXXVHO-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC000938170503 609482363 /nfs/dbraw/zinc/48/23/63/609482363.db2.gz ITSOCJIMNMFSSZ-XQQFMLRXSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC000938170503 609482364 /nfs/dbraw/zinc/48/23/64/609482364.db2.gz ITSOCJIMNMFSSZ-XQQFMLRXSA-N 1 1 325.359 0.456 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908013041 609636868 /nfs/dbraw/zinc/63/68/68/609636868.db2.gz AGKNEWADQBRBEU-CVEARBPZSA-N 1 1 349.456 0.972 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000908013041 609636870 /nfs/dbraw/zinc/63/68/70/609636870.db2.gz AGKNEWADQBRBEU-CVEARBPZSA-N 1 1 349.456 0.972 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000919975195 609667379 /nfs/dbraw/zinc/66/73/79/609667379.db2.gz UFHZDWBCQGPAES-UKRRQHHQSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000919975195 609667381 /nfs/dbraw/zinc/66/73/81/609667381.db2.gz UFHZDWBCQGPAES-UKRRQHHQSA-N 1 1 336.461 0.779 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)oc2C)CC1 ZINC000921438362 609716689 /nfs/dbraw/zinc/71/66/89/609716689.db2.gz ZFSHYFLGKVBHLT-UHFFFAOYSA-N 1 1 340.401 0.751 20 30 ECEDMO C#CCSCCNC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000175218169 609721786 /nfs/dbraw/zinc/72/17/86/609721786.db2.gz ICOBEONIDXIZJZ-HNNXBMFYSA-N 1 1 326.510 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H](C)c2nnc(C)o2)CC1 ZINC000948825651 609758501 /nfs/dbraw/zinc/75/85/01/609758501.db2.gz KUMSQAHIBSQWAW-HIFRSBDPSA-N 1 1 331.420 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H](C)c2nnc(C)o2)CC1 ZINC000948825651 609758503 /nfs/dbraw/zinc/75/85/03/609758503.db2.gz KUMSQAHIBSQWAW-HIFRSBDPSA-N 1 1 331.420 0.681 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000948848838 609768366 /nfs/dbraw/zinc/76/83/66/609768366.db2.gz HKUWZAGFYSCVAV-ZIAGYGMSSA-N 1 1 329.466 0.519 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000910921214 609780775 /nfs/dbraw/zinc/78/07/75/609780775.db2.gz XUGCVLQHMPBNNH-IKGGRYGDSA-N 1 1 347.459 0.306 20 30 ECEDMO C=CCn1cc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)nn1 ZINC000911279150 609836561 /nfs/dbraw/zinc/83/65/61/609836561.db2.gz XCEFGETUDBYAMC-ZDUSSCGKSA-N 1 1 335.408 0.355 20 30 ECEDMO C=CCn1cc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)nn1 ZINC000911279150 609836563 /nfs/dbraw/zinc/83/65/63/609836563.db2.gz XCEFGETUDBYAMC-ZDUSSCGKSA-N 1 1 335.408 0.355 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)N2CCC[N@@H+](CCO)CC2)cs1 ZINC000914141054 609858883 /nfs/dbraw/zinc/85/88/83/609858883.db2.gz XDEOKQFIOBSIOR-UHFFFAOYSA-N 1 1 329.447 0.450 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)N2CCC[N@H+](CCO)CC2)cs1 ZINC000914141054 609858886 /nfs/dbraw/zinc/85/88/86/609858886.db2.gz XDEOKQFIOBSIOR-UHFFFAOYSA-N 1 1 329.447 0.450 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938540454 609859150 /nfs/dbraw/zinc/85/91/50/609859150.db2.gz WYKPAWJIKBTYPT-IUODEOHRSA-N 1 1 329.404 0.511 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CCN(C(=O)C#CC3CC3)C1)CC2 ZINC000938554672 609867217 /nfs/dbraw/zinc/86/72/17/609867217.db2.gz SOFZEKICWQRAKE-CVEARBPZSA-N 1 1 340.427 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2conc2C)C1 ZINC000938595204 609892367 /nfs/dbraw/zinc/89/23/67/609892367.db2.gz ZSLROFAHPNUTHR-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2conc2C)C1 ZINC000938595204 609892369 /nfs/dbraw/zinc/89/23/69/609892369.db2.gz ZSLROFAHPNUTHR-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO N#CCN1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000917308411 609969176 /nfs/dbraw/zinc/96/91/76/609969176.db2.gz RMEMQGJWMYRQPW-HUUCEWRRSA-N 1 1 337.493 0.853 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(CC)CC2)c1=O ZINC000917482439 609974146 /nfs/dbraw/zinc/97/41/46/609974146.db2.gz HKXZDWANLSEGST-UHFFFAOYSA-N 1 1 334.420 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cnccn2)C1 ZINC000938756873 609982608 /nfs/dbraw/zinc/98/26/08/609982608.db2.gz ZSAQDOQVPARFMR-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cnccn2)C1 ZINC000938756873 609982610 /nfs/dbraw/zinc/98/26/10/609982610.db2.gz ZSAQDOQVPARFMR-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000917838639 609985285 /nfs/dbraw/zinc/98/52/85/609985285.db2.gz XAMFVCMXFLOVIN-BZUAXINKSA-N 1 1 337.468 0.725 20 30 ECEDMO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@@H+](C)C[C@H]3CO)CC2)o1 ZINC000912740309 609997132 /nfs/dbraw/zinc/99/71/32/609997132.db2.gz UNNVPLKUUWIQMH-AWEZNQCLSA-N 1 1 347.419 0.206 20 30 ECEDMO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@H+](C)C[C@H]3CO)CC2)o1 ZINC000912740309 609997133 /nfs/dbraw/zinc/99/71/33/609997133.db2.gz UNNVPLKUUWIQMH-AWEZNQCLSA-N 1 1 347.419 0.206 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000918394561 610005359 /nfs/dbraw/zinc/00/53/59/610005359.db2.gz IPIOXKPSNPNMKM-AWEZNQCLSA-N 1 1 335.429 0.422 20 30 ECEDMO CN1CC[NH+](C2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)CC1 ZINC000919111272 610033068 /nfs/dbraw/zinc/03/30/68/610033068.db2.gz MIYGEVXTOAJCOL-UHFFFAOYSA-N 1 1 328.482 0.578 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3CC)C2)nn1 ZINC000939276083 610146014 /nfs/dbraw/zinc/14/60/14/610146014.db2.gz BKEDETWBONJTFU-CHWSQXEVSA-N 1 1 344.423 0.326 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)no2)C1 ZINC000939384677 610181318 /nfs/dbraw/zinc/18/13/18/610181318.db2.gz RBPSTEUUOGBMHM-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)no2)C1 ZINC000939384677 610181319 /nfs/dbraw/zinc/18/13/19/610181319.db2.gz RBPSTEUUOGBMHM-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000939406174 610192573 /nfs/dbraw/zinc/19/25/73/610192573.db2.gz MAJRKCYXXMIQFM-KGLIPLIRSA-N 1 1 343.431 0.981 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940094432 610206656 /nfs/dbraw/zinc/20/66/56/610206656.db2.gz HARJGMHBRUWGGS-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000940595884 610309896 /nfs/dbraw/zinc/30/98/96/610309896.db2.gz DYGOWNKWZCNIGR-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000940595884 610309897 /nfs/dbraw/zinc/30/98/97/610309897.db2.gz DYGOWNKWZCNIGR-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000940595892 610309972 /nfs/dbraw/zinc/30/99/72/610309972.db2.gz DYGOWNKWZCNIGR-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000940595892 610309973 /nfs/dbraw/zinc/30/99/73/610309973.db2.gz DYGOWNKWZCNIGR-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCn3ccccc3=O)CC2)C1 ZINC000941429082 610311074 /nfs/dbraw/zinc/31/10/74/610311074.db2.gz ZJJQYZUGFJUJGA-UHFFFAOYSA-N 1 1 342.443 0.090 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C3(F)CCOCC3)CC2)C1 ZINC000941430835 610311783 /nfs/dbraw/zinc/31/17/83/610311783.db2.gz DDNZHBGHOQEZDE-UHFFFAOYSA-N 1 1 325.428 0.910 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc4c([nH]3)CCOC4)CC2)C1 ZINC000941432997 610313044 /nfs/dbraw/zinc/31/30/44/610313044.db2.gz KZDWGRXRVGGNRE-UHFFFAOYSA-N 1 1 330.432 0.715 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3nn4c(c3C)OCCC4)CC2)C1 ZINC000941433546 610313727 /nfs/dbraw/zinc/31/37/27/610313727.db2.gz ZAGWUBBXSILZJY-UHFFFAOYSA-N 1 1 345.447 0.602 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cn4c(n3)COCC4)CC2)C1 ZINC000941456787 610319130 /nfs/dbraw/zinc/31/91/30/610319130.db2.gz TWQRIQXQNVVADB-UHFFFAOYSA-N 1 1 331.420 0.041 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(CN(C)C)on3)CC2)C1 ZINC000941466637 610327890 /nfs/dbraw/zinc/32/78/90/610327890.db2.gz URNUTYZBDBSBKG-UHFFFAOYSA-N 1 1 347.463 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2[nH]cnc2C)CC1 ZINC000941465006 610333768 /nfs/dbraw/zinc/33/37/68/610333768.db2.gz FENMXALEIFIZEM-HNNXBMFYSA-N 1 1 343.431 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2[nH]cnc2C)CC1 ZINC000941465006 610333770 /nfs/dbraw/zinc/33/37/70/610333770.db2.gz FENMXALEIFIZEM-HNNXBMFYSA-N 1 1 343.431 0.490 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC000941465870 610334433 /nfs/dbraw/zinc/33/44/33/610334433.db2.gz UCCAIKVBJQSMPB-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC000941465870 610334435 /nfs/dbraw/zinc/33/44/35/610334435.db2.gz UCCAIKVBJQSMPB-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3nc(C)c(C)nc3C)CC2)C1 ZINC000941479696 610334555 /nfs/dbraw/zinc/33/45/55/610334555.db2.gz QUAUXFVFHPHGRO-UHFFFAOYSA-N 1 1 341.459 0.867 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N[C@H](CC)C3)CC2)C1 ZINC000941499630 610344097 /nfs/dbraw/zinc/34/40/97/610344097.db2.gz XTYZDGCQKZTNIE-HZPDHXFCSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3cc(CC)nn3C)CC2)C1 ZINC000941499505 610344199 /nfs/dbraw/zinc/34/41/99/610344199.db2.gz WNCGACBLTVQSBO-UHFFFAOYSA-N 1 1 343.475 0.377 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1 ZINC000941500209 610344842 /nfs/dbraw/zinc/34/48/42/610344842.db2.gz MGPPIBPPNZVILE-RYQLBKOJSA-N 1 1 349.475 0.442 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)CC2)C1 ZINC000941502134 610345674 /nfs/dbraw/zinc/34/56/74/610345674.db2.gz KJFLMOMRDIPGQN-CQSZACIVSA-N 1 1 345.447 0.542 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)CC2)C1 ZINC000941538251 610357954 /nfs/dbraw/zinc/35/79/54/610357954.db2.gz YURINBVJKHQDCY-CQSZACIVSA-N 1 1 330.436 0.239 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C3CN(CC#N)C3)CC1)CC2 ZINC000941536695 610366697 /nfs/dbraw/zinc/36/66/97/610366697.db2.gz BPMIIHNZNJBDNB-HNNXBMFYSA-N 1 1 342.447 0.106 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000940812607 610385424 /nfs/dbraw/zinc/38/54/24/610385424.db2.gz MTJMDDIOQJIJDO-AWEZNQCLSA-N 1 1 343.431 0.903 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000940812726 610386436 /nfs/dbraw/zinc/38/64/36/610386436.db2.gz UBPALKAPXGDVHD-CYBMUJFWSA-N 1 1 329.404 0.513 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941566678 610386601 /nfs/dbraw/zinc/38/66/01/610386601.db2.gz JDKAUOXTEPSIGU-AWEZNQCLSA-N 1 1 340.899 0.909 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4ccncc4C3)CC2)C1 ZINC000941566964 610387021 /nfs/dbraw/zinc/38/70/21/610387021.db2.gz MYTIUNITXIVCGE-QGZVFWFLSA-N 1 1 338.455 0.648 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000941578900 610391590 /nfs/dbraw/zinc/39/15/90/610391590.db2.gz WMNQFBVPDJAKGA-HOCLYGCPSA-N 1 1 334.464 0.306 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3scnc3COC)CC2)C1 ZINC000941596906 610413921 /nfs/dbraw/zinc/41/39/21/610413921.db2.gz SLMOIFDUQRIEGC-UHFFFAOYSA-N 1 1 348.472 0.755 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@H](C)n3cccn3)CC2)C1 ZINC000941634907 610420559 /nfs/dbraw/zinc/42/05/59/610420559.db2.gz MWFIKNGJSZAQPW-INIZCTEOSA-N 1 1 329.448 0.686 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000941623826 610427488 /nfs/dbraw/zinc/42/74/88/610427488.db2.gz ORTKADVSRRPFMI-HIFRSBDPSA-N 1 1 332.379 0.582 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000941623826 610427489 /nfs/dbraw/zinc/42/74/89/610427489.db2.gz ORTKADVSRRPFMI-HIFRSBDPSA-N 1 1 332.379 0.582 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000940911317 610429411 /nfs/dbraw/zinc/42/94/11/610429411.db2.gz AMNCYDSKQJBPSK-KBPBESRZSA-N 1 1 329.404 0.215 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@@H](C)C1 ZINC000942393168 610433530 /nfs/dbraw/zinc/43/35/30/610433530.db2.gz NGHPYZSONBDSQJ-XJKSGUPXSA-N 1 1 329.400 0.624 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C3C[NH+](CCOC)C3)CC2)cn1 ZINC000941641664 610435408 /nfs/dbraw/zinc/43/54/08/610435408.db2.gz DYRFWVIJPAYMDX-UHFFFAOYSA-N 1 1 328.416 0.151 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)C1 ZINC000941662058 610441192 /nfs/dbraw/zinc/44/11/92/610441192.db2.gz TXXRFSOBDCUPTB-UHFFFAOYSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4nncn4C3)CC2)C1 ZINC000941676636 610449548 /nfs/dbraw/zinc/44/95/48/610449548.db2.gz BZRVQPVUQKDQIH-HNNXBMFYSA-N 1 1 344.463 0.245 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C1 ZINC000941664744 610455787 /nfs/dbraw/zinc/45/57/87/610455787.db2.gz DIOSROYMKLAIOF-UHFFFAOYSA-N 1 1 340.431 0.976 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC34CCOCC4)CC2)C1 ZINC000941692197 610466436 /nfs/dbraw/zinc/46/64/36/610466436.db2.gz GPNHZBCZOHZPJV-KRWDZBQOSA-N 1 1 331.460 0.655 20 30 ECEDMO O=C(C#CC1CC1)N1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000940996260 610475880 /nfs/dbraw/zinc/47/58/80/610475880.db2.gz FZHYWVBGQOZTEO-IBGZPJMESA-N 1 1 329.444 0.947 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 ZINC000941068121 610524590 /nfs/dbraw/zinc/52/45/90/610524590.db2.gz NGPNINIMJXZNJH-QWRGUYRKSA-N 1 1 342.827 0.554 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 ZINC000941068121 610524592 /nfs/dbraw/zinc/52/45/92/610524592.db2.gz NGPNINIMJXZNJH-QWRGUYRKSA-N 1 1 342.827 0.554 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000941085243 610529019 /nfs/dbraw/zinc/52/90/19/610529019.db2.gz SIEFOQAHAWHVTD-ZBFHGGJFSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000941085243 610529022 /nfs/dbraw/zinc/52/90/22/610529022.db2.gz SIEFOQAHAWHVTD-ZBFHGGJFSA-N 1 1 346.431 0.335 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2C)c1 ZINC000942618760 610537768 /nfs/dbraw/zinc/53/77/68/610537768.db2.gz WNOPSTJKGADSMS-YOEHRIQHSA-N 1 1 338.415 0.795 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H](C)C1 ZINC000942615293 610538743 /nfs/dbraw/zinc/53/87/43/610538743.db2.gz HGGXSRMYFWLFHZ-PWSUYJOCSA-N 1 1 341.437 0.073 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)C[C@@H]2C)c1 ZINC000942616377 610538749 /nfs/dbraw/zinc/53/87/49/610538749.db2.gz LJWWUWGRNSJRBB-BBRMVZONSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)C[C@@H]2C)c1 ZINC000942616377 610538750 /nfs/dbraw/zinc/53/87/50/610538750.db2.gz LJWWUWGRNSJRBB-BBRMVZONSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000941879027 610550194 /nfs/dbraw/zinc/55/01/94/610550194.db2.gz ASJXXLYDXRRNPI-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@H]1C[N@@H+](CCN2CCCC2=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941967802 610581625 /nfs/dbraw/zinc/58/16/25/610581625.db2.gz UPTTTYOLVQSJTF-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H](C)C1 ZINC000942718186 610583386 /nfs/dbraw/zinc/58/33/86/610583386.db2.gz CHHBFRNQQCKVIA-KGLIPLIRSA-N 1 1 330.432 0.597 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)CC2(C)C)cn1 ZINC000941170204 610583731 /nfs/dbraw/zinc/58/37/31/610583731.db2.gz UMAAHMNTIMHLDP-INIZCTEOSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941225686 610609706 /nfs/dbraw/zinc/60/97/06/610609706.db2.gz HQXLMPFWOMSVMD-STQMWFEESA-N 1 1 329.466 0.471 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000942027340 610620189 /nfs/dbraw/zinc/62/01/89/610620189.db2.gz YSHZLPHPXKDASF-HUUCEWRRSA-N 1 1 336.436 0.316 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000942027340 610620190 /nfs/dbraw/zinc/62/01/90/610620190.db2.gz YSHZLPHPXKDASF-HUUCEWRRSA-N 1 1 336.436 0.316 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2snnc2C)C1 ZINC000941238127 610622073 /nfs/dbraw/zinc/62/20/73/610622073.db2.gz VLXRVSOCQZCUKS-OLZOCXBDSA-N 1 1 347.444 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2snnc2C)C1 ZINC000941238127 610622074 /nfs/dbraw/zinc/62/20/74/610622074.db2.gz VLXRVSOCQZCUKS-OLZOCXBDSA-N 1 1 347.444 0.275 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C ZINC000947899662 610628654 /nfs/dbraw/zinc/62/86/54/610628654.db2.gz MGLOGNMXPOGGGZ-HUUCEWRRSA-N 1 1 345.447 0.374 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 ZINC000942053609 610630563 /nfs/dbraw/zinc/63/05/63/610630563.db2.gz RMZVFRRABWSGNH-MWLCHTKSSA-N 1 1 343.229 0.408 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 ZINC000942053609 610630565 /nfs/dbraw/zinc/63/05/65/610630565.db2.gz RMZVFRRABWSGNH-MWLCHTKSSA-N 1 1 343.229 0.408 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H](C)C1 ZINC000942062233 610638118 /nfs/dbraw/zinc/63/81/18/610638118.db2.gz VVFWUCVDIHEOFJ-KGLIPLIRSA-N 1 1 333.432 0.621 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](C)C1 ZINC000942891785 610668581 /nfs/dbraw/zinc/66/85/81/610668581.db2.gz CGRPGMCFNFRROB-DZGCQCFKSA-N 1 1 328.416 0.952 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000942189565 610689891 /nfs/dbraw/zinc/68/98/91/610689891.db2.gz SUCYONZAZKYUFJ-JQWIXIFHSA-N 1 1 327.406 0.553 20 30 ECEDMO C=CCCN1CC(N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408917 610722714 /nfs/dbraw/zinc/72/27/14/610722714.db2.gz YFFARCXIQLYIQM-SFHVURJKSA-N 1 1 332.492 0.733 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000943234333 610759924 /nfs/dbraw/zinc/75/99/24/610759924.db2.gz SBNCPYHBMSIPIU-HIFRSBDPSA-N 1 1 326.462 0.661 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](C)C1 ZINC000944155335 610769984 /nfs/dbraw/zinc/76/99/84/610769984.db2.gz MZMAXBCFRDDJMD-NWDGAFQWSA-N 1 1 330.392 0.434 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](C)C1 ZINC000944155375 610770001 /nfs/dbraw/zinc/77/00/01/610770001.db2.gz ONHUCZOJNFAAGE-NWDGAFQWSA-N 1 1 330.392 0.434 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2C)nc1 ZINC000944191438 610775741 /nfs/dbraw/zinc/77/57/41/610775741.db2.gz CSMOLIQFUIGRDF-HIFRSBDPSA-N 1 1 328.416 0.591 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@H](C)C1 ZINC000944191916 610776204 /nfs/dbraw/zinc/77/62/04/610776204.db2.gz GZKKFPLGXMWZCU-HIFRSBDPSA-N 1 1 328.416 0.905 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000944788560 610786736 /nfs/dbraw/zinc/78/67/36/610786736.db2.gz GHNXASSQLPPAJH-GXSJLCMTSA-N 1 1 328.800 0.117 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000944788560 610786738 /nfs/dbraw/zinc/78/67/38/610786738.db2.gz GHNXASSQLPPAJH-GXSJLCMTSA-N 1 1 328.800 0.117 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2C)cn1 ZINC000944214383 610787075 /nfs/dbraw/zinc/78/70/75/610787075.db2.gz KMXDTYVTMMDTIZ-CZUORRHYSA-N 1 1 328.416 0.591 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 ZINC000944790269 610787423 /nfs/dbraw/zinc/78/74/23/610787423.db2.gz PBEMGUJBLLHPKF-CMPLNLGQSA-N 1 1 342.827 0.460 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 ZINC000944790269 610787425 /nfs/dbraw/zinc/78/74/25/610787425.db2.gz PBEMGUJBLLHPKF-CMPLNLGQSA-N 1 1 342.827 0.460 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 ZINC000944809626 610794896 /nfs/dbraw/zinc/79/48/96/610794896.db2.gz FKFNHQHUWNZTBW-ZYHUDNBSSA-N 1 1 327.812 0.715 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 ZINC000944809626 610794897 /nfs/dbraw/zinc/79/48/97/610794897.db2.gz FKFNHQHUWNZTBW-ZYHUDNBSSA-N 1 1 327.812 0.715 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@H]1C ZINC000944317984 610826060 /nfs/dbraw/zinc/82/60/60/610826060.db2.gz NEMJNEMNNIWIMZ-PBHICJAKSA-N 1 1 327.428 0.783 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000944906029 610834680 /nfs/dbraw/zinc/83/46/80/610834680.db2.gz GWRNMWMIVLQUNM-CABCVRRESA-N 1 1 343.493 0.120 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC000944328863 610838663 /nfs/dbraw/zinc/83/86/63/610838663.db2.gz KQIGYYHNCFXHQU-CVEARBPZSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC000944328863 610838664 /nfs/dbraw/zinc/83/86/64/610838664.db2.gz KQIGYYHNCFXHQU-CVEARBPZSA-N 1 1 343.431 0.157 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC000944941525 610850077 /nfs/dbraw/zinc/85/00/77/610850077.db2.gz IGVYQODFNXXHAW-ZDUSSCGKSA-N 1 1 329.404 0.802 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000944415626 610858155 /nfs/dbraw/zinc/85/81/55/610858155.db2.gz BIKTWYGCZWGAJK-GJZGRUSLSA-N 1 1 332.448 0.939 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000933844600 611752852 /nfs/dbraw/zinc/75/28/52/611752852.db2.gz BFHVHEONYHHFAI-UHFFFAOYSA-N 1 1 332.242 0.859 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](C)C1 ZINC000945178687 610933644 /nfs/dbraw/zinc/93/36/44/610933644.db2.gz GFCZAWYXSOVDHC-UONOGXRCSA-N 1 1 348.451 0.383 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000943680562 610940759 /nfs/dbraw/zinc/94/07/59/610940759.db2.gz LDVOUFLRSJISIV-IHRRRGAJSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cnn(C)c1 ZINC000943854778 611004811 /nfs/dbraw/zinc/00/48/11/611004811.db2.gz AZZVXBRFGUMWHH-CVEARBPZSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cnn(C)c1 ZINC000943854778 611004814 /nfs/dbraw/zinc/00/48/14/611004814.db2.gz AZZVXBRFGUMWHH-CVEARBPZSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](C)SC ZINC000943882097 611012176 /nfs/dbraw/zinc/01/21/76/611012176.db2.gz CPCFRNSTOMFRIW-ZNMIVQPWSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](C)SC ZINC000943882097 611012179 /nfs/dbraw/zinc/01/21/79/611012179.db2.gz CPCFRNSTOMFRIW-ZNMIVQPWSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC000944630559 611032864 /nfs/dbraw/zinc/03/28/64/611032864.db2.gz GOGRMWDWOUSXJN-IRXDYDNUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC000944630559 611032865 /nfs/dbraw/zinc/03/28/65/611032865.db2.gz GOGRMWDWOUSXJN-IRXDYDNUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2(C)CC2)CCO1 ZINC000944644954 611050426 /nfs/dbraw/zinc/05/04/26/611050426.db2.gz PLDRLOREMIMTIM-CABCVRRESA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2(C)CC2)CCO1 ZINC000944644954 611050429 /nfs/dbraw/zinc/05/04/29/611050429.db2.gz PLDRLOREMIMTIM-CABCVRRESA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 ZINC000943986174 611069785 /nfs/dbraw/zinc/06/97/85/611069785.db2.gz DJLYRTJIZYFLTN-CHWSQXEVSA-N 1 1 336.436 0.720 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 ZINC000944014011 611085358 /nfs/dbraw/zinc/08/53/58/611085358.db2.gz CJJPDABOKKDZHK-PWSUYJOCSA-N 1 1 342.827 0.507 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 ZINC000944014011 611085360 /nfs/dbraw/zinc/08/53/60/611085360.db2.gz CJJPDABOKKDZHK-PWSUYJOCSA-N 1 1 342.827 0.507 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC000944029936 611091078 /nfs/dbraw/zinc/09/10/78/611091078.db2.gz HIQBCYILPPPECB-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)CC[C@@H]2C1 ZINC000946836360 611185342 /nfs/dbraw/zinc/18/53/42/611185342.db2.gz CDXJMEMKVRHDEH-CALCHBBNSA-N 1 1 342.443 0.664 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)CC[C@@H]2C1 ZINC000946878667 611217834 /nfs/dbraw/zinc/21/78/34/611217834.db2.gz VUIKCNPQIVNERK-KSZLIROESA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000923343783 611231793 /nfs/dbraw/zinc/23/17/93/611231793.db2.gz AMLIZKOXVZVZTF-ZWKOTPCHSA-N 1 1 344.459 0.486 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000923343783 611231795 /nfs/dbraw/zinc/23/17/95/611231795.db2.gz AMLIZKOXVZVZTF-ZWKOTPCHSA-N 1 1 344.459 0.486 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3C(C)=O)CC[C@@H]2C1 ZINC000946897238 611237684 /nfs/dbraw/zinc/23/76/84/611237684.db2.gz YIYXHBZATSRQGS-FGTMMUONSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCOCC3)CC[C@@H]2C1 ZINC000946915606 611258113 /nfs/dbraw/zinc/25/81/13/611258113.db2.gz NRQCPNXNRYSVKF-OKZBNKHCSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccn2CCN2CCOCC2)C1 ZINC000923559301 611261348 /nfs/dbraw/zinc/26/13/48/611261348.db2.gz KDYMNJNBGJQFDW-QGZVFWFLSA-N 1 1 344.459 0.648 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccn2CCN2CCOCC2)C1 ZINC000923559301 611261350 /nfs/dbraw/zinc/26/13/50/611261350.db2.gz KDYMNJNBGJQFDW-QGZVFWFLSA-N 1 1 344.459 0.648 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)C1 ZINC000923560493 611261797 /nfs/dbraw/zinc/26/17/97/611261797.db2.gz COXLWSUHHCUFRT-YJBOKZPZSA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)C1 ZINC000923560493 611261798 /nfs/dbraw/zinc/26/17/98/611261798.db2.gz COXLWSUHHCUFRT-YJBOKZPZSA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)C1 ZINC000923560685 611261899 /nfs/dbraw/zinc/26/18/99/611261899.db2.gz FBVQNYIILOXVCQ-CRAIPNDOSA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)C1 ZINC000923560685 611261900 /nfs/dbraw/zinc/26/19/00/611261900.db2.gz FBVQNYIILOXVCQ-CRAIPNDOSA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC000923557958 611262659 /nfs/dbraw/zinc/26/26/59/611262659.db2.gz PHYZCXJIATZRCG-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC000923557958 611262660 /nfs/dbraw/zinc/26/26/60/611262660.db2.gz PHYZCXJIATZRCG-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2CC(F)(F)F)C1 ZINC000923562577 611263002 /nfs/dbraw/zinc/26/30/02/611263002.db2.gz ZZHMYVATVZYSGI-STQMWFEESA-N 1 1 333.354 0.463 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2CC(F)(F)F)C1 ZINC000923562577 611263003 /nfs/dbraw/zinc/26/30/03/611263003.db2.gz ZZHMYVATVZYSGI-STQMWFEESA-N 1 1 333.354 0.463 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)nn(C)c2-n2cccn2)C1 ZINC000923564365 611263724 /nfs/dbraw/zinc/26/37/24/611263724.db2.gz QQMFZQOKFPQCGY-AWEZNQCLSA-N 1 1 326.404 0.742 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)nn(C)c2-n2cccn2)C1 ZINC000923564365 611263725 /nfs/dbraw/zinc/26/37/25/611263725.db2.gz QQMFZQOKFPQCGY-AWEZNQCLSA-N 1 1 326.404 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(S(N)(=O)=O)c2C)C1 ZINC000923566382 611264156 /nfs/dbraw/zinc/26/41/56/611264156.db2.gz MWFRORFYAFFFJJ-ZDUSSCGKSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(S(N)(=O)=O)c2C)C1 ZINC000923566382 611264157 /nfs/dbraw/zinc/26/41/57/611264157.db2.gz MWFRORFYAFFFJJ-ZDUSSCGKSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc(Br)cn2)C1 ZINC000923587191 611269992 /nfs/dbraw/zinc/26/99/92/611269992.db2.gz VZDCDGVPSAGWLR-GFCCVEGCSA-N 1 1 325.210 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc(Br)cn2)C1 ZINC000923587191 611269991 /nfs/dbraw/zinc/26/99/91/611269991.db2.gz VZDCDGVPSAGWLR-GFCCVEGCSA-N 1 1 325.210 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2F)C1 ZINC000923592057 611271506 /nfs/dbraw/zinc/27/15/06/611271506.db2.gz IQDWITXVCIDFFM-NSHDSACASA-N 1 1 339.392 0.301 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2F)C1 ZINC000923592057 611271509 /nfs/dbraw/zinc/27/15/09/611271509.db2.gz IQDWITXVCIDFFM-NSHDSACASA-N 1 1 339.392 0.301 20 30 ECEDMO C#CCn1cc(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000834609870 611294739 /nfs/dbraw/zinc/29/47/39/611294739.db2.gz NOGAOCWSKJEIIS-IBGZPJMESA-N 1 1 338.411 0.770 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]2CC1 ZINC000946521552 611298903 /nfs/dbraw/zinc/29/89/03/611298903.db2.gz VOFJJPWYXYZXOT-WCVJEAGWSA-N 1 1 332.448 0.937 20 30 ECEDMO CNS(=O)(=O)CC[NH2+]Cc1cc(C#N)ccc1Br ZINC000922035955 611332165 /nfs/dbraw/zinc/33/21/65/611332165.db2.gz KEXRTLKAUFPKAM-UHFFFAOYSA-N 1 1 332.223 0.960 20 30 ECEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000929106758 611729820 /nfs/dbraw/zinc/72/98/20/611729820.db2.gz BVJJEVBMJPKFFX-QGZVFWFLSA-N 1 1 349.406 0.722 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C ZINC000947929759 611744837 /nfs/dbraw/zinc/74/48/37/611744837.db2.gz NXOKQTUACMACNK-VXGBXAGGSA-N 1 1 330.392 0.576 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)cn1 ZINC000947968876 611759697 /nfs/dbraw/zinc/75/96/97/611759697.db2.gz RXMQPFFPZBNAAQ-XYPHTWIQSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)nc1 ZINC000947968869 611759826 /nfs/dbraw/zinc/75/98/26/611759826.db2.gz RTCGYAWXJXQRPD-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000948985325 611785817 /nfs/dbraw/zinc/78/58/17/611785817.db2.gz CNLWOKDIYFRQEB-HOTGVXAUSA-N 1 1 349.456 0.580 20 30 ECEDMO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000948985325 611785821 /nfs/dbraw/zinc/78/58/21/611785821.db2.gz CNLWOKDIYFRQEB-HOTGVXAUSA-N 1 1 349.456 0.580 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929752061 611789922 /nfs/dbraw/zinc/78/99/22/611789922.db2.gz FHFAURZKAPRNQP-QWHCGFSZSA-N 1 1 343.518 0.718 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929752061 611789925 /nfs/dbraw/zinc/78/99/25/611789925.db2.gz FHFAURZKAPRNQP-QWHCGFSZSA-N 1 1 343.518 0.718 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(CC)C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC000950631452 611805220 /nfs/dbraw/zinc/80/52/20/611805220.db2.gz OCEHLTLVSQVJAT-DLBZAZTESA-N 1 1 348.491 0.790 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2ccoc2)C1 ZINC000950648644 611816757 /nfs/dbraw/zinc/81/67/57/611816757.db2.gz WFQVVEGMYUNYCU-OIISXLGYSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2ccoc2)C1 ZINC000950648644 611816759 /nfs/dbraw/zinc/81/67/59/611816759.db2.gz WFQVVEGMYUNYCU-OIISXLGYSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC000950648533 611816933 /nfs/dbraw/zinc/81/69/33/611816933.db2.gz PJUPYZBZJAXYSV-BMFZPTHFSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC000950648533 611816934 /nfs/dbraw/zinc/81/69/34/611816934.db2.gz PJUPYZBZJAXYSV-BMFZPTHFSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cccn2C)C1 ZINC000950056812 611855103 /nfs/dbraw/zinc/85/51/03/611855103.db2.gz GDQARTQZWBVEOJ-HOTGVXAUSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cccn2C)C1 ZINC000950056812 611855105 /nfs/dbraw/zinc/85/51/05/611855105.db2.gz GDQARTQZWBVEOJ-HOTGVXAUSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cccc(C)n1 ZINC000950752539 611888497 /nfs/dbraw/zinc/88/84/97/611888497.db2.gz BUMOSVQMBHIDDQ-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cccc(C)n1 ZINC000950752539 611888498 /nfs/dbraw/zinc/88/84/98/611888498.db2.gz BUMOSVQMBHIDDQ-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)nn1C ZINC000950754554 611889665 /nfs/dbraw/zinc/88/96/65/611889665.db2.gz VZTZQEUJJWLTIF-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)nn1C ZINC000950754554 611889666 /nfs/dbraw/zinc/88/96/66/611889666.db2.gz VZTZQEUJJWLTIF-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCc1cn[nH]c1 ZINC000950754973 611890050 /nfs/dbraw/zinc/89/00/50/611890050.db2.gz AOFXOWVGOVFUIB-CVEARBPZSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCc1cn[nH]c1 ZINC000950754973 611890053 /nfs/dbraw/zinc/89/00/53/611890053.db2.gz AOFXOWVGOVFUIB-CVEARBPZSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)n(C)n1 ZINC000950754784 611890235 /nfs/dbraw/zinc/89/02/35/611890235.db2.gz YVYZTJRXHLWLAC-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)n(C)n1 ZINC000950754784 611890238 /nfs/dbraw/zinc/89/02/38/611890238.db2.gz YVYZTJRXHLWLAC-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ncoc1CC ZINC000950755021 611890783 /nfs/dbraw/zinc/89/07/83/611890783.db2.gz BRHYGQLDNFDRRK-KBPBESRZSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ncoc1CC ZINC000950755021 611890786 /nfs/dbraw/zinc/89/07/86/611890786.db2.gz BRHYGQLDNFDRRK-KBPBESRZSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cncc(C)c1 ZINC000950755963 611891855 /nfs/dbraw/zinc/89/18/55/611891855.db2.gz YSLOYGACCWJNIF-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cncc(C)c1 ZINC000950755963 611891856 /nfs/dbraw/zinc/89/18/56/611891856.db2.gz YSLOYGACCWJNIF-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000950232262 611917543 /nfs/dbraw/zinc/91/75/43/611917543.db2.gz XUGPSWBAOYTCFW-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000949346364 611946818 /nfs/dbraw/zinc/94/68/18/611946818.db2.gz DIDZGSSQTWCFFG-UHFFFAOYSA-N 1 1 335.448 0.035 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949379151 611957600 /nfs/dbraw/zinc/95/76/00/611957600.db2.gz PZUZQYCJIXXWKO-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949379151 611957601 /nfs/dbraw/zinc/95/76/01/611957601.db2.gz PZUZQYCJIXXWKO-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395256 611962874 /nfs/dbraw/zinc/96/28/74/611962874.db2.gz QIADXDAOBBAACY-KRWDZBQOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395256 611962876 /nfs/dbraw/zinc/96/28/76/611962876.db2.gz QIADXDAOBBAACY-KRWDZBQOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC000949406367 611967865 /nfs/dbraw/zinc/96/78/65/611967865.db2.gz ZSCRSHMUGFFXDL-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000950322423 611970626 /nfs/dbraw/zinc/97/06/26/611970626.db2.gz KGDRVRWHHLZMGC-VHDGCEQUSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC000949471276 611991856 /nfs/dbraw/zinc/99/18/56/611991856.db2.gz VQWMHFZILYTRBT-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC000949472968 611992777 /nfs/dbraw/zinc/99/27/77/611992777.db2.gz QCFASQOEDDKVSN-UHFFFAOYSA-N 1 1 345.447 0.464 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC000949472968 611992778 /nfs/dbraw/zinc/99/27/78/611992778.db2.gz QCFASQOEDDKVSN-UHFFFAOYSA-N 1 1 345.447 0.464 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498511 612008555 /nfs/dbraw/zinc/00/85/55/612008555.db2.gz SKVVRJNTMWQRTK-CQSZACIVSA-N 1 1 326.360 0.422 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC000949512184 612015830 /nfs/dbraw/zinc/01/58/30/612015830.db2.gz PHMIPGHISMLQGL-UHFFFAOYSA-N 1 1 330.432 0.679 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC000949512184 612015832 /nfs/dbraw/zinc/01/58/32/612015832.db2.gz PHMIPGHISMLQGL-UHFFFAOYSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC000949520252 612018819 /nfs/dbraw/zinc/01/88/19/612018819.db2.gz NEEFQXGRWAWZFN-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534089 612023684 /nfs/dbraw/zinc/02/36/84/612023684.db2.gz OIYAFEUZIYHCCS-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534089 612023685 /nfs/dbraw/zinc/02/36/85/612023685.db2.gz OIYAFEUZIYHCCS-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ncccc1F ZINC000951831689 612084009 /nfs/dbraw/zinc/08/40/09/612084009.db2.gz KQDICBGNTIWZCD-ZFWWWQNUSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ncccc1F ZINC000951831689 612084011 /nfs/dbraw/zinc/08/40/11/612084011.db2.gz KQDICBGNTIWZCD-ZFWWWQNUSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC000952739030 612086519 /nfs/dbraw/zinc/08/65/19/612086519.db2.gz WRNCTNHPFKBGKM-NXOAAHMSSA-N 1 1 342.443 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC000952739030 612086522 /nfs/dbraw/zinc/08/65/22/612086522.db2.gz WRNCTNHPFKBGKM-NXOAAHMSSA-N 1 1 342.443 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cccnn2)C1 ZINC000951223605 612088460 /nfs/dbraw/zinc/08/84/60/612088460.db2.gz LRABQCYWPGUPKJ-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cccnn2)C1 ZINC000951223605 612088462 /nfs/dbraw/zinc/08/84/62/612088462.db2.gz LRABQCYWPGUPKJ-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1oncc1C ZINC000951941450 612146381 /nfs/dbraw/zinc/14/63/81/612146381.db2.gz NGRPNWAIWMEKHE-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1oncc1C ZINC000951941450 612146384 /nfs/dbraw/zinc/14/63/84/612146384.db2.gz NGRPNWAIWMEKHE-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC000953137779 612178206 /nfs/dbraw/zinc/17/82/06/612178206.db2.gz KVRDHBFDBVAXJN-APWZRJJASA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC000953137779 612178207 /nfs/dbraw/zinc/17/82/07/612178207.db2.gz KVRDHBFDBVAXJN-APWZRJJASA-N 1 1 345.443 0.181 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000953138292 612178500 /nfs/dbraw/zinc/17/85/00/612178500.db2.gz UZJGNXCULKKGLX-DNVCBOLYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000953138292 612178503 /nfs/dbraw/zinc/17/85/03/612178503.db2.gz UZJGNXCULKKGLX-DNVCBOLYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000953138293 612178544 /nfs/dbraw/zinc/17/85/44/612178544.db2.gz UZJGNXCULKKGLX-HNAYVOBHSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000953138293 612178545 /nfs/dbraw/zinc/17/85/45/612178545.db2.gz UZJGNXCULKKGLX-HNAYVOBHSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(CC)on1 ZINC000951370646 612187635 /nfs/dbraw/zinc/18/76/35/612187635.db2.gz SQYTXFUCGNALPV-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(CC)on1 ZINC000951370646 612187640 /nfs/dbraw/zinc/18/76/40/612187640.db2.gz SQYTXFUCGNALPV-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC000952091403 612222716 /nfs/dbraw/zinc/22/27/16/612222716.db2.gz NTTNAOSUUYMCSS-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC000952091403 612222718 /nfs/dbraw/zinc/22/27/18/612222718.db2.gz NTTNAOSUUYMCSS-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000952241429 612315171 /nfs/dbraw/zinc/31/51/71/612315171.db2.gz QZGUKYKWVHNLGT-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000953877121 612379714 /nfs/dbraw/zinc/37/97/14/612379714.db2.gz ULYCSJQHABGKPT-CYBMUJFWSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC000955262707 612392110 /nfs/dbraw/zinc/39/21/10/612392110.db2.gz JOPDFTABXZVFCG-KRWDZBQOSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2[nH]cnc2C)C1 ZINC000954630319 612467000 /nfs/dbraw/zinc/46/70/00/612467000.db2.gz BBJXIKZPXVCMEK-INIZCTEOSA-N 1 1 343.431 0.027 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2[nH]cnc2C)C1 ZINC000954630319 612467003 /nfs/dbraw/zinc/46/70/03/612467003.db2.gz BBJXIKZPXVCMEK-INIZCTEOSA-N 1 1 343.431 0.027 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2oc(C)nc2C)C1 ZINC000954630352 612467138 /nfs/dbraw/zinc/46/71/38/612467138.db2.gz CPPXJDOHPDXCHE-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2oc(C)nc2C)C1 ZINC000954630352 612467141 /nfs/dbraw/zinc/46/71/41/612467141.db2.gz CPPXJDOHPDXCHE-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(F)nc2)C1 ZINC000954630734 612468267 /nfs/dbraw/zinc/46/82/67/612468267.db2.gz HQISAUXYAIVXON-HNNXBMFYSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(F)nc2)C1 ZINC000954630734 612468272 /nfs/dbraw/zinc/46/82/72/612468272.db2.gz HQISAUXYAIVXON-HNNXBMFYSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccccn2)C1 ZINC000954630805 612468597 /nfs/dbraw/zinc/46/85/97/612468597.db2.gz KJSXTDXEFFBAHP-INIZCTEOSA-N 1 1 326.400 0.462 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccccn2)C1 ZINC000954630805 612468599 /nfs/dbraw/zinc/46/85/99/612468599.db2.gz KJSXTDXEFFBAHP-INIZCTEOSA-N 1 1 326.400 0.462 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CCCCO2)C1 ZINC000954631448 612470557 /nfs/dbraw/zinc/47/05/57/612470557.db2.gz XNBKSNTXTDGFBZ-SJORKVTESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CCCCO2)C1 ZINC000954631448 612470560 /nfs/dbraw/zinc/47/05/60/612470560.db2.gz XNBKSNTXTDGFBZ-SJORKVTESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC23CCC3)C1 ZINC000954632213 612471210 /nfs/dbraw/zinc/47/12/10/612471210.db2.gz SCMIMLMBOXODNF-CVEARBPZSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC23CCC3)C1 ZINC000954632213 612471217 /nfs/dbraw/zinc/47/12/17/612471217.db2.gz SCMIMLMBOXODNF-CVEARBPZSA-N 1 1 329.444 0.943 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc1 ZINC000955345336 612473531 /nfs/dbraw/zinc/47/35/31/612473531.db2.gz UYADHVUVQJXWIJ-AWEZNQCLSA-N 1 1 340.427 0.688 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000955353242 612486891 /nfs/dbraw/zinc/48/68/91/612486891.db2.gz ZJSNULYPDYFRAK-IAQYHMDHSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C)o2)C1 ZINC000953664566 612503546 /nfs/dbraw/zinc/50/35/46/612503546.db2.gz PDTIJPSGKAYRTO-HNNXBMFYSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C)o2)C1 ZINC000953664566 612503549 /nfs/dbraw/zinc/50/35/49/612503549.db2.gz PDTIJPSGKAYRTO-HNNXBMFYSA-N 1 1 329.400 0.968 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956802032 612565733 /nfs/dbraw/zinc/56/57/33/612565733.db2.gz FHBWUZNDWBYNLD-QGZVFWFLSA-N 1 1 340.387 0.812 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956834041 612604802 /nfs/dbraw/zinc/60/48/02/612604802.db2.gz IZIIJFVPAFVXOV-FZKQIMNGSA-N 1 1 343.431 0.949 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000956022061 612621799 /nfs/dbraw/zinc/62/17/99/612621799.db2.gz ZAEUQGYFVIEAAJ-AWEZNQCLSA-N 1 1 340.387 0.812 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000954108113 612671013 /nfs/dbraw/zinc/67/10/13/612671013.db2.gz MGDRYVOZPRGEIP-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000956073426 612677224 /nfs/dbraw/zinc/67/72/24/612677224.db2.gz RKBRPDGZRBKQFF-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000956073426 612677226 /nfs/dbraw/zinc/67/72/26/612677226.db2.gz RKBRPDGZRBKQFF-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000954795102 612688987 /nfs/dbraw/zinc/68/89/87/612688987.db2.gz HKZJORMITOSXLN-RDJZCZTQSA-N 1 1 346.431 0.842 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000954835749 612728979 /nfs/dbraw/zinc/72/89/79/612728979.db2.gz VRTSHLXKJOPCJF-CQSZACIVSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC000954912313 612781758 /nfs/dbraw/zinc/78/17/58/612781758.db2.gz HUNYFMLLZMSGGU-CXAGYDPISA-N 1 1 340.427 0.543 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)nc1 ZINC000954913595 612783307 /nfs/dbraw/zinc/78/33/07/612783307.db2.gz XSXLCBKXQFMEBQ-UHFFFAOYSA-N 1 1 340.427 0.830 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954319944 612849047 /nfs/dbraw/zinc/84/90/47/612849047.db2.gz CANQJCCUAPKQCX-AWEZNQCLSA-N 1 1 330.432 0.909 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2(C)CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000956388342 612865359 /nfs/dbraw/zinc/86/53/59/612865359.db2.gz ZWKUIQWKBUREQZ-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2(C)CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000956388342 612865361 /nfs/dbraw/zinc/86/53/61/612865361.db2.gz ZWKUIQWKBUREQZ-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000954407605 612895247 /nfs/dbraw/zinc/89/52/47/612895247.db2.gz IVFHVYYCBRCGOF-CXAGYDPISA-N 1 1 340.427 0.686 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC001041786186 782202175 /nfs/dbraw/zinc/20/21/75/782202175.db2.gz RRKQWSDZLKEIEQ-SFHVURJKSA-N 1 1 348.447 0.771 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3ccon3)C2)C1=O ZINC000971936627 735414963 /nfs/dbraw/zinc/41/49/63/735414963.db2.gz HAYLZPDONSONLA-CVEARBPZSA-N 1 1 346.431 0.927 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](C)N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001104537769 738446675 /nfs/dbraw/zinc/44/66/75/738446675.db2.gz IKLWSMNMABLYCK-HIFRSBDPSA-N 1 1 331.420 0.851 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](C)N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001104537769 738446676 /nfs/dbraw/zinc/44/66/76/738446676.db2.gz IKLWSMNMABLYCK-HIFRSBDPSA-N 1 1 331.420 0.851 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2O)cc1 ZINC001024981888 738457033 /nfs/dbraw/zinc/45/70/33/738457033.db2.gz VJCQVBFBWJAHGC-BRWVUGGUSA-N 1 1 341.411 0.064 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3(C)CC3)[C@@H]2C1 ZINC000972564630 736815161 /nfs/dbraw/zinc/81/51/61/736815161.db2.gz OKHHYMVLMYSDCN-OWCLPIDISA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3(C)CC3)[C@@H]2C1 ZINC000972564630 736815164 /nfs/dbraw/zinc/81/51/64/736815164.db2.gz OKHHYMVLMYSDCN-OWCLPIDISA-N 1 1 329.444 0.943 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)C(C)(C)C2)C1=O ZINC000972984104 738476399 /nfs/dbraw/zinc/47/63/99/738476399.db2.gz BFDLVTKGIUBIGU-HUUCEWRRSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)C(C)(C)C2)C1=O ZINC000972984104 738476402 /nfs/dbraw/zinc/47/64/02/738476402.db2.gz BFDLVTKGIUBIGU-HUUCEWRRSA-N 1 1 345.447 0.566 20 30 ECEDMO C#CCC[NH+]1CCC2(CC1)CN(C(=O)CCc1nc[nH]n1)C[C@@H](C)O2 ZINC001098581053 737291295 /nfs/dbraw/zinc/29/12/95/737291295.db2.gz ZJGOAZZXDFTOOO-OAHLLOKOSA-N 1 1 345.447 0.843 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](C)C(=O)NC)C3)C2)nc1 ZINC001041793455 782221130 /nfs/dbraw/zinc/22/11/30/782221130.db2.gz KNSQAJQGVIJWSS-LIRRHRJNSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001069976640 790269999 /nfs/dbraw/zinc/26/99/99/790269999.db2.gz XTVILRJAATZYBU-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001069976640 790270003 /nfs/dbraw/zinc/27/00/03/790270003.db2.gz XTVILRJAATZYBU-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nc1 ZINC001125279938 731566510 /nfs/dbraw/zinc/56/65/10/731566510.db2.gz NQPHWVVVXWLGNX-YOEHRIQHSA-N 1 1 345.447 0.693 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041792982 782219815 /nfs/dbraw/zinc/21/98/15/782219815.db2.gz YFXAJCDWXODWNZ-SFHVURJKSA-N 1 1 329.400 0.624 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ccc(C#N)nc2)C1 ZINC001125280626 731582788 /nfs/dbraw/zinc/58/27/88/731582788.db2.gz UVBLYZNVWBPVEE-RHSMWYFYSA-N 1 1 345.447 0.551 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)cn1 ZINC001041794920 782223524 /nfs/dbraw/zinc/22/35/24/782223524.db2.gz YAYVYPHROPCDIY-SCLBCKFNSA-N 1 1 326.400 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC000969326114 731720791 /nfs/dbraw/zinc/72/07/91/731720791.db2.gz DSCWVTSEOVYCGL-MLGOLLRUSA-N 1 1 345.447 0.809 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1COCCO1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969325171 731722776 /nfs/dbraw/zinc/72/27/76/731722776.db2.gz ZOCJZHZFKIEJIA-NHYWBVRUSA-N 1 1 335.429 0.972 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCN(C)C(C)=O)C1 ZINC001111958124 738533988 /nfs/dbraw/zinc/53/39/88/738533988.db2.gz DOWCMZMOXJAALV-HKUYNNGSSA-N 1 1 349.475 0.865 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]32)c1 ZINC001083188342 731764663 /nfs/dbraw/zinc/76/46/63/731764663.db2.gz QFISSJDPLRDZOA-BPQIPLTHSA-N 1 1 341.411 0.625 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C)nn3C)C2)C1=O ZINC000969366641 731769288 /nfs/dbraw/zinc/76/92/88/731769288.db2.gz XZJCMNZAUDNCOL-ZFWWWQNUSA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969442351 731888655 /nfs/dbraw/zinc/88/86/55/731888655.db2.gz QCJZIAOCJJMDGC-APWZRJJASA-N 1 1 341.455 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ocnc3C)C2)C1=O ZINC000969457334 731903024 /nfs/dbraw/zinc/90/30/24/731903024.db2.gz XAWSLBSEIONLTD-SMDDNHRTSA-N 1 1 332.404 0.820 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000969507014 731933064 /nfs/dbraw/zinc/93/30/64/731933064.db2.gz WVXBJKATZXKYRT-LLVKDONJSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1COCCN1C)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969517288 731937057 /nfs/dbraw/zinc/93/70/57/731937057.db2.gz IRPQNCGWHPLCDN-VQIMIIECSA-N 1 1 341.455 0.805 20 30 ECEDMO CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000969525724 731948496 /nfs/dbraw/zinc/94/84/96/731948496.db2.gz DJAFQEHABZVHBP-XHDPSFHLSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCc2cnccn2)CC1 ZINC001098524180 732022557 /nfs/dbraw/zinc/02/25/57/732022557.db2.gz DWVQDOHAUAPAJH-UHFFFAOYSA-N 1 1 330.432 0.718 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nccn2C)C1 ZINC000969869268 732467327 /nfs/dbraw/zinc/46/73/27/732467327.db2.gz OGVOKYOLWXMGJS-ZBFHGGJFSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nccn2C)C1 ZINC000969869268 732467330 /nfs/dbraw/zinc/46/73/30/732467330.db2.gz OGVOKYOLWXMGJS-ZBFHGGJFSA-N 1 1 329.448 0.454 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccsn3)C2)C1=O ZINC000969934918 732533209 /nfs/dbraw/zinc/53/32/09/732533209.db2.gz ANNWXLULZLAFHM-RISCZKNCSA-N 1 1 334.445 0.980 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041823720 782275489 /nfs/dbraw/zinc/27/54/89/782275489.db2.gz OKVYQMXUXCEJBW-KBXCAEBGSA-N 1 1 348.447 0.865 20 30 ECEDMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078080699 782271738 /nfs/dbraw/zinc/27/17/38/782271738.db2.gz ASTYLVACNNHYIF-IAGOWNOFSA-N 1 1 339.399 0.494 20 30 ECEDMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078080699 782271745 /nfs/dbraw/zinc/27/17/45/782271745.db2.gz ASTYLVACNNHYIF-IAGOWNOFSA-N 1 1 339.399 0.494 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)C1 ZINC001041826959 782282957 /nfs/dbraw/zinc/28/29/57/782282957.db2.gz JCKFIAKSTCWYOQ-SFHVURJKSA-N 1 1 328.416 0.899 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836462 782311896 /nfs/dbraw/zinc/31/18/96/782311896.db2.gz XDPAKKQFLRJOET-GDBMZVCRSA-N 1 1 341.477 0.569 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C[C@@H](C)N2CCCC2=O)CC1 ZINC001098530641 733025305 /nfs/dbraw/zinc/02/53/05/733025305.db2.gz GKMIRGNZGBPJDO-MRXNPFEDSA-N 1 1 349.475 0.696 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC001041839828 782318155 /nfs/dbraw/zinc/31/81/55/782318155.db2.gz RXSDIWGIQQQHDN-FUHWJXTLSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)N3CCOCC3)C2)C1 ZINC001041838666 782316407 /nfs/dbraw/zinc/31/64/07/782316407.db2.gz CVICXNAYAGYTEN-HKUYNNGSSA-N 1 1 331.460 0.655 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(CC)s3)C2)nn1 ZINC000970204326 733197276 /nfs/dbraw/zinc/19/72/76/733197276.db2.gz QOZMUVVJBMVGRV-LLVKDONJSA-N 1 1 347.448 0.882 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000970210266 733213984 /nfs/dbraw/zinc/21/39/84/733213984.db2.gz NFHQXTDQEAAIBI-GFCCVEGCSA-N 1 1 325.376 0.131 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cc(C)nc(CO)n1 ZINC001104253357 733368155 /nfs/dbraw/zinc/36/81/55/733368155.db2.gz LPMMNEJUWAMAQY-HIFRSBDPSA-N 1 1 345.447 0.539 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cc(C)nc(CO)n1 ZINC001104253357 733368161 /nfs/dbraw/zinc/36/81/61/733368161.db2.gz LPMMNEJUWAMAQY-HIFRSBDPSA-N 1 1 345.447 0.539 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNc2ccc(C#N)cn2)CC1 ZINC001067471230 733456109 /nfs/dbraw/zinc/45/61/09/733456109.db2.gz WNHDHFMTPLWZRW-HNNXBMFYSA-N 1 1 343.431 0.813 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC000970400651 733472046 /nfs/dbraw/zinc/47/20/46/733472046.db2.gz CVPYKLFYVZJTEW-STQMWFEESA-N 1 1 328.416 0.590 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001078130440 782347372 /nfs/dbraw/zinc/34/73/72/782347372.db2.gz CNHUNUOQPUSUJG-CABCVRRESA-N 1 1 338.452 0.660 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1ncc(C#N)cc1F ZINC001104269695 733536930 /nfs/dbraw/zinc/53/69/30/733536930.db2.gz DGFVEPPIHLTCAD-YWPYICTPSA-N 1 1 349.410 0.976 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1ncc(C#N)cc1F ZINC001104269695 733536932 /nfs/dbraw/zinc/53/69/32/733536932.db2.gz DGFVEPPIHLTCAD-YWPYICTPSA-N 1 1 349.410 0.976 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1conc1C ZINC001078129556 782346870 /nfs/dbraw/zinc/34/68/70/782346870.db2.gz MQYPKYUFWLGVOA-WFASDCNBSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1conc1C ZINC001078129556 782346879 /nfs/dbraw/zinc/34/68/79/782346879.db2.gz MQYPKYUFWLGVOA-WFASDCNBSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001025161223 738734769 /nfs/dbraw/zinc/73/47/69/738734769.db2.gz XCQQMBGSJSYAQR-OWCLPIDISA-N 1 1 347.459 0.208 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001025161223 738734770 /nfs/dbraw/zinc/73/47/70/738734770.db2.gz XCQQMBGSJSYAQR-OWCLPIDISA-N 1 1 347.459 0.208 20 30 ECEDMO C#CCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000289132289 733658536 /nfs/dbraw/zinc/65/85/36/733658536.db2.gz JLHUURLAUFHOFB-IRXDYDNUSA-N 1 1 336.457 0.812 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N(C)C3CC3)C2)nn1 ZINC000970544341 733661017 /nfs/dbraw/zinc/66/10/17/733661017.db2.gz KKOYKKUXWFIQSK-GFCCVEGCSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)Cn2nc(C)ccc2=O)CC1 ZINC001098538697 733713701 /nfs/dbraw/zinc/71/37/01/733713701.db2.gz XFPPELWCMKLAAN-UHFFFAOYSA-N 1 1 334.420 0.023 20 30 ECEDMO C[C@@H](NC(=O)c1ncn[nH]1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000970609416 733736888 /nfs/dbraw/zinc/73/68/88/733736888.db2.gz XBCIUQJUZBWREV-GFCCVEGCSA-N 1 1 340.387 0.957 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3nccs3)C2)C1=O ZINC000970632636 733762947 /nfs/dbraw/zinc/76/29/47/733762947.db2.gz VTOXZCQWYUYJRA-YPMHNXCESA-N 1 1 334.445 0.980 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2cnc[nH]2)CC1 ZINC001167331515 733797720 /nfs/dbraw/zinc/79/77/20/733797720.db2.gz OCCFJMDLNHGDNK-CYBMUJFWSA-N 1 1 333.436 0.519 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125419617 733980042 /nfs/dbraw/zinc/98/00/42/733980042.db2.gz NGVFLLDYHIACHN-UHFFFAOYSA-N 1 1 328.376 0.524 20 30 ECEDMO N#CCOc1ccc(C[NH2+]CCNC(=O)CCc2nc[nH]n2)cc1 ZINC001125420039 733981590 /nfs/dbraw/zinc/98/15/90/733981590.db2.gz XLWWSMATOLAPHI-UHFFFAOYSA-N 1 1 328.376 0.546 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)[C@H]2C1 ZINC001083208801 734114959 /nfs/dbraw/zinc/11/49/59/734114959.db2.gz CXAJFRBSHWOTBD-JKSUJKDBSA-N 1 1 340.383 0.817 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3[nH]cnc3C)C2)C1=O ZINC000970993594 734153165 /nfs/dbraw/zinc/15/31/65/734153165.db2.gz QHEUKKPQTXQQFF-RISCZKNCSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCn1cc(C(=O)NCCC2(C[NH2+]Cc3cnon3)CC2)nn1 ZINC001167414538 734178227 /nfs/dbraw/zinc/17/82/27/734178227.db2.gz JVSJHLLFZCZSHL-UHFFFAOYSA-N 1 1 331.380 0.537 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(c3cnc(C#N)cn3)CCO2)C1 ZINC001104322054 734298627 /nfs/dbraw/zinc/29/86/27/734298627.db2.gz UUAVGJHWVQEDMY-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104323514 734303176 /nfs/dbraw/zinc/30/31/76/734303176.db2.gz RXNVADXCOLIUAS-HNNXBMFYSA-N 1 1 346.435 0.402 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 ZINC001104323335 734303701 /nfs/dbraw/zinc/30/37/01/734303701.db2.gz OJABMDUCQRXUAD-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO CN1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)C1 ZINC000971270102 734412771 /nfs/dbraw/zinc/41/27/71/734412771.db2.gz DIAGBUSYDQMCGM-ROUUACIJSA-N 1 1 342.443 0.922 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H](C)C3)[C@H]2C1 ZINC001083215967 734453896 /nfs/dbraw/zinc/45/38/96/734453896.db2.gz BFJRQMDCZMXFDN-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H](C)C3)[C@H]2C1 ZINC001083215967 734453897 /nfs/dbraw/zinc/45/38/97/734453897.db2.gz BFJRQMDCZMXFDN-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000971364147 734476789 /nfs/dbraw/zinc/47/67/89/734476789.db2.gz SCZFGOQAWRXVAL-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 ZINC001104349479 734520227 /nfs/dbraw/zinc/52/02/27/734520227.db2.gz HGYFPTWWTOIRAF-KBPBESRZSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)[C@H]2C1 ZINC001083217459 734537757 /nfs/dbraw/zinc/53/77/57/734537757.db2.gz ZPZZCRWNUWKAQX-LSDHHAIUSA-N 1 1 342.399 0.608 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@@H+]2CC(N)=O)c1 ZINC001025219313 738824652 /nfs/dbraw/zinc/82/46/52/738824652.db2.gz VDEJOQBMBWXVEC-LSDHHAIUSA-N 1 1 329.404 0.831 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cncnc3)C2)C1=O ZINC000971427391 734569197 /nfs/dbraw/zinc/56/91/97/734569197.db2.gz OQVMNJQFDQICQF-JKSUJKDBSA-N 1 1 343.431 0.339 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1)C1CCC1 ZINC001104353373 734600717 /nfs/dbraw/zinc/60/07/17/734600717.db2.gz VIBRBQJODBMJAK-OAHLLOKOSA-N 1 1 344.419 0.154 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CN=NC1=O ZINC001025224492 738835115 /nfs/dbraw/zinc/83/51/15/738835115.db2.gz RCNIBAPJQHZJEE-LSDHHAIUSA-N 1 1 331.420 0.853 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CS(=O)(=O)C1 ZINC001025232851 738859244 /nfs/dbraw/zinc/85/92/44/738859244.db2.gz QNEHUIZUOYRQLP-HZPDHXFCSA-N 1 1 338.473 0.900 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CS(=O)(=O)C1 ZINC001025232851 738859248 /nfs/dbraw/zinc/85/92/48/738859248.db2.gz QNEHUIZUOYRQLP-HZPDHXFCSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CNC(C)=O)o3)[C@H]2C1 ZINC001083224211 735038457 /nfs/dbraw/zinc/03/84/57/735038457.db2.gz LUFCCPCLPQDHIG-DOTOQJQBSA-N 1 1 345.399 0.464 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CNC(C)=O)o3)[C@H]2C1 ZINC001083224211 735038461 /nfs/dbraw/zinc/03/84/61/735038461.db2.gz LUFCCPCLPQDHIG-DOTOQJQBSA-N 1 1 345.399 0.464 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001111489893 735060907 /nfs/dbraw/zinc/06/09/07/735060907.db2.gz NSUGOHRZGVEFQE-VQHPVUNQSA-N 1 1 348.447 0.558 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H](n2ccnn2)C1 ZINC001069987294 790281889 /nfs/dbraw/zinc/28/18/89/790281889.db2.gz ZFMIEYNBHNTUGT-CABCVRRESA-N 1 1 344.423 0.050 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC001098558695 735269587 /nfs/dbraw/zinc/26/95/87/735269587.db2.gz SCUFBINVPAXELW-UHFFFAOYSA-N 1 1 332.448 0.878 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972076014 735615817 /nfs/dbraw/zinc/61/58/17/735615817.db2.gz PMPLQGJJNITOKC-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCO[C@H](C)C2)C1 ZINC000972077865 735616876 /nfs/dbraw/zinc/61/68/76/735616876.db2.gz ALNATVGBRXXPEF-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCO[C@H](C)C2)C1 ZINC000972077865 735616881 /nfs/dbraw/zinc/61/68/81/735616881.db2.gz ALNATVGBRXXPEF-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO CN1C[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3C#N)C2)NC1=O ZINC000972084804 735627391 /nfs/dbraw/zinc/62/73/91/735627391.db2.gz GGSZHSQEPXPWSC-CVEARBPZSA-N 1 1 341.415 0.615 20 30 ECEDMO CN1C[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3C#N)C2)NC1=O ZINC000972084804 735627393 /nfs/dbraw/zinc/62/73/93/735627393.db2.gz GGSZHSQEPXPWSC-CVEARBPZSA-N 1 1 341.415 0.615 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)C(C)C)CC1 ZINC001098564229 735680885 /nfs/dbraw/zinc/68/08/85/735680885.db2.gz SCSSXQZGNOGULS-UHFFFAOYSA-N 1 1 346.493 0.671 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC001098566564 735835343 /nfs/dbraw/zinc/83/53/43/735835343.db2.gz BZGVOVFBLWFPNM-HNNXBMFYSA-N 1 1 344.477 0.425 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)c1 ZINC000972292550 735900035 /nfs/dbraw/zinc/90/00/35/735900035.db2.gz SFIFSEVNWMJFQX-HZPDHXFCSA-N 1 1 326.400 0.440 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@H+](CCc1ccnn1C)CCO2 ZINC000972297971 735907714 /nfs/dbraw/zinc/90/77/14/735907714.db2.gz OWYOLFWTUIOJHM-PBHICJAKSA-N 1 1 331.420 0.426 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCc1ccnn1C)CCO2 ZINC000972297971 735907717 /nfs/dbraw/zinc/90/77/17/735907717.db2.gz OWYOLFWTUIOJHM-PBHICJAKSA-N 1 1 331.420 0.426 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)C[N@H+](CCCN1CCCC1=O)CCO2 ZINC000972298478 735908103 /nfs/dbraw/zinc/90/81/03/735908103.db2.gz TYDXRMFKVXGFLV-MAUKXSAKSA-N 1 1 348.447 0.462 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)C[N@@H+](CCCN1CCCC1=O)CCO2 ZINC000972298478 735908105 /nfs/dbraw/zinc/90/81/05/735908105.db2.gz TYDXRMFKVXGFLV-MAUKXSAKSA-N 1 1 348.447 0.462 20 30 ECEDMO Cc1cc(C)n(CC[N@@H+]2CCO[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000972299233 735910954 /nfs/dbraw/zinc/91/09/54/735910954.db2.gz ZGJIMBOLQLJXMD-RDTXWAMCSA-N 1 1 345.447 0.963 20 30 ECEDMO Cc1cc(C)n(CC[N@H+]2CCO[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000972299233 735910955 /nfs/dbraw/zinc/91/09/55/735910955.db2.gz ZGJIMBOLQLJXMD-RDTXWAMCSA-N 1 1 345.447 0.963 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@@H]2CCOC2)CCO3)c[nH]1 ZINC000972354089 735996261 /nfs/dbraw/zinc/99/62/61/735996261.db2.gz WXCVKWDWJUHPMF-KSSFIOAISA-N 1 1 344.415 0.840 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC000972361531 736015207 /nfs/dbraw/zinc/01/52/07/736015207.db2.gz GBNRKHRFNNNAQC-HUUCEWRRSA-N 1 1 345.447 0.960 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380611 736049230 /nfs/dbraw/zinc/04/92/30/736049230.db2.gz HTWHXYKLZJZKMT-KRWDZBQOSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380611 736049234 /nfs/dbraw/zinc/04/92/34/736049234.db2.gz HTWHXYKLZJZKMT-KRWDZBQOSA-N 1 1 330.388 0.425 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3nnc(C)[nH]3)C2)C1 ZINC000972382596 736050492 /nfs/dbraw/zinc/05/04/92/736050492.db2.gz RVYYHEBDAHJTIN-QGZVFWFLSA-N 1 1 333.436 0.925 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972406973 736134801 /nfs/dbraw/zinc/13/48/01/736134801.db2.gz JAWUDRGLWMGVTC-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972406973 736134804 /nfs/dbraw/zinc/13/48/04/736134804.db2.gz JAWUDRGLWMGVTC-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 ZINC000972408004 736137553 /nfs/dbraw/zinc/13/75/53/736137553.db2.gz IGDPYXRHAMJXDZ-YJBOKZPZSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 ZINC000972408004 736137557 /nfs/dbraw/zinc/13/75/57/736137557.db2.gz IGDPYXRHAMJXDZ-YJBOKZPZSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972421748 736165944 /nfs/dbraw/zinc/16/59/44/736165944.db2.gz IWPAAJZTLSZCBF-ROUUACIJSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972421748 736165947 /nfs/dbraw/zinc/16/59/47/736165947.db2.gz IWPAAJZTLSZCBF-ROUUACIJSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3CCOC)C2)C1 ZINC000972427824 736174090 /nfs/dbraw/zinc/17/40/90/736174090.db2.gz BZWVPZLEMUNSDS-GOSISDBHSA-N 1 1 346.431 0.470 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3CCOC)C2)C1 ZINC000972427824 736174092 /nfs/dbraw/zinc/17/40/92/736174092.db2.gz BZWVPZLEMUNSDS-GOSISDBHSA-N 1 1 346.431 0.470 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972425623 736174839 /nfs/dbraw/zinc/17/48/39/736174839.db2.gz PPWORQMNRPBBKK-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972425623 736174840 /nfs/dbraw/zinc/17/48/40/736174840.db2.gz PPWORQMNRPBBKK-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 ZINC000972432085 736182427 /nfs/dbraw/zinc/18/24/27/736182427.db2.gz XZEGKTGLWORXFX-ROUUACIJSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 ZINC000972432085 736182428 /nfs/dbraw/zinc/18/24/28/736182428.db2.gz XZEGKTGLWORXFX-ROUUACIJSA-N 1 1 335.448 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H](C)COC)C[C@@H]32)nc1 ZINC001083252207 736197154 /nfs/dbraw/zinc/19/71/54/736197154.db2.gz BWJAFNLOZCZFSO-RRQGHBQHSA-N 1 1 329.400 0.623 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC000972449507 736229406 /nfs/dbraw/zinc/22/94/06/736229406.db2.gz LHBRYJJFFGITIT-KRWDZBQOSA-N 1 1 336.436 0.281 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC000972449507 736229409 /nfs/dbraw/zinc/22/94/09/736229409.db2.gz LHBRYJJFFGITIT-KRWDZBQOSA-N 1 1 336.436 0.281 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972457292 736249471 /nfs/dbraw/zinc/24/94/71/736249471.db2.gz APOAUBMJXQZMPO-KRWDZBQOSA-N 1 1 331.372 0.319 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972457292 736249473 /nfs/dbraw/zinc/24/94/73/736249473.db2.gz APOAUBMJXQZMPO-KRWDZBQOSA-N 1 1 331.372 0.319 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000972480047 736304500 /nfs/dbraw/zinc/30/45/00/736304500.db2.gz GNNSULISXRQYBQ-ROUUACIJSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCNS(C)(=O)=O)C1 ZINC001111767959 736312756 /nfs/dbraw/zinc/31/27/56/736312756.db2.gz IASNMAUAWHLCGC-JSGCOSHPSA-N 1 1 349.884 0.649 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCNS(C)(=O)=O)C1 ZINC001111767959 736312760 /nfs/dbraw/zinc/31/27/60/736312760.db2.gz IASNMAUAWHLCGC-JSGCOSHPSA-N 1 1 349.884 0.649 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)nc1 ZINC001022991003 736370199 /nfs/dbraw/zinc/37/01/99/736370199.db2.gz RSYUQBRMYMDETR-OKILXGFUSA-N 1 1 339.403 0.681 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C2)C1 ZINC000972491839 736375246 /nfs/dbraw/zinc/37/52/46/736375246.db2.gz CCJIXBBFYUKXFE-GOSISDBHSA-N 1 1 346.431 0.500 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C2)C1 ZINC000972491839 736375250 /nfs/dbraw/zinc/37/52/50/736375250.db2.gz CCJIXBBFYUKXFE-GOSISDBHSA-N 1 1 346.431 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@H](O)C(C)C)C1 ZINC001059846710 751371188 /nfs/dbraw/zinc/37/11/88/751371188.db2.gz BYWFRCKWOPWMMH-YESZJQIVSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@H](O)C(C)C)C1 ZINC001059846710 751371194 /nfs/dbraw/zinc/37/11/94/751371194.db2.gz BYWFRCKWOPWMMH-YESZJQIVSA-N 1 1 349.475 0.456 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCn3cccn3)C2)nn1 ZINC000972501370 736428280 /nfs/dbraw/zinc/42/82/80/736428280.db2.gz PMEGQLQPXCOZSC-CQSZACIVSA-N 1 1 329.408 0.507 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cncnc3)C2)C1 ZINC000972518109 736533675 /nfs/dbraw/zinc/53/36/75/736533675.db2.gz HREDPALZOHOCEN-MAUKXSAKSA-N 1 1 328.416 0.907 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cncnc3)C2)C1 ZINC000972518109 736533678 /nfs/dbraw/zinc/53/36/78/736533678.db2.gz HREDPALZOHOCEN-MAUKXSAKSA-N 1 1 328.416 0.907 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972525153 736569422 /nfs/dbraw/zinc/56/94/22/736569422.db2.gz YZYFQQZNPOARKC-GOSISDBHSA-N 1 1 347.415 0.800 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972525153 736569423 /nfs/dbraw/zinc/56/94/23/736569423.db2.gz YZYFQQZNPOARKC-GOSISDBHSA-N 1 1 347.415 0.800 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]21 ZINC001083259452 736644849 /nfs/dbraw/zinc/64/48/49/736644849.db2.gz BKTGFNJDNVCWRQ-JCGIZDLHSA-N 1 1 328.412 0.503 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001023295845 736655765 /nfs/dbraw/zinc/65/57/65/736655765.db2.gz JPXBSSOXDLMRLI-CYBMUJFWSA-N 1 1 329.404 0.560 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001023297135 736660051 /nfs/dbraw/zinc/66/00/51/736660051.db2.gz IDJNPAXFOIXRKA-CQSZACIVSA-N 1 1 343.431 0.951 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972546016 736663537 /nfs/dbraw/zinc/66/35/37/736663537.db2.gz MBDPIOLUHNKHGP-CRAIPNDOSA-N 1 1 335.448 0.925 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972546016 736663538 /nfs/dbraw/zinc/66/35/38/736663538.db2.gz MBDPIOLUHNKHGP-CRAIPNDOSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 ZINC000972547131 736667690 /nfs/dbraw/zinc/66/76/90/736667690.db2.gz VZGVOYZICYYTOV-GOSISDBHSA-N 1 1 329.400 0.326 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 ZINC000972547131 736667692 /nfs/dbraw/zinc/66/76/92/736667692.db2.gz VZGVOYZICYYTOV-GOSISDBHSA-N 1 1 329.400 0.326 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1)C1CC1 ZINC001023315102 736675547 /nfs/dbraw/zinc/67/55/47/736675547.db2.gz SJGQLLLLEPOXOZ-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)c[nH]1 ZINC001023319898 736680047 /nfs/dbraw/zinc/68/00/47/736680047.db2.gz HSNDUMQKJHAEQF-CYBMUJFWSA-N 1 1 344.419 0.353 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)C3=CCOCC3)C2)C1=O ZINC001023327773 736687444 /nfs/dbraw/zinc/68/74/44/736687444.db2.gz HUPXJBHRVYPKJV-DOTOQJQBSA-N 1 1 347.459 0.948 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C ZINC001104478644 736691033 /nfs/dbraw/zinc/69/10/33/736691033.db2.gz UTUBGILMHNOXMS-KWCYVHTRSA-N 1 1 348.451 0.492 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC000972553253 736712812 /nfs/dbraw/zinc/71/28/12/736712812.db2.gz CRTUXWYZAXVMKX-RVKKMQEKSA-N 1 1 335.448 0.767 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1COC(=O)N1 ZINC001023343952 736714996 /nfs/dbraw/zinc/71/49/96/736714996.db2.gz CIYLEHIAJNIZQD-SJORKVTESA-N 1 1 341.411 0.975 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001023427972 736822201 /nfs/dbraw/zinc/82/22/01/736822201.db2.gz XVIUEXSEIZYBRD-JKSUJKDBSA-N 1 1 327.432 0.907 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023449539 736848404 /nfs/dbraw/zinc/84/84/04/736848404.db2.gz RVWCWNIVPCKICN-KBPBESRZSA-N 1 1 331.420 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001023448155 736851358 /nfs/dbraw/zinc/85/13/58/736851358.db2.gz HPUIVCZYZQOFJE-CYBMUJFWSA-N 1 1 327.388 0.813 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001023529557 736962539 /nfs/dbraw/zinc/96/25/39/736962539.db2.gz GXBNFTNPOOIUQA-NEPJUHHUSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001023529557 736962543 /nfs/dbraw/zinc/96/25/43/736962543.db2.gz GXBNFTNPOOIUQA-NEPJUHHUSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001023591606 737049746 /nfs/dbraw/zinc/04/97/46/737049746.db2.gz FDCIPOSGTOHVCN-TUAOUCFPSA-N 1 1 344.253 0.845 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001023591606 737049742 /nfs/dbraw/zinc/04/97/42/737049742.db2.gz FDCIPOSGTOHVCN-TUAOUCFPSA-N 1 1 344.253 0.845 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001023593791 737053964 /nfs/dbraw/zinc/05/39/64/737053964.db2.gz BVQZQVZHOPXHBX-KSZLIROESA-N 1 1 339.439 0.988 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)ccc1F ZINC000981971094 751385126 /nfs/dbraw/zinc/38/51/26/751385126.db2.gz CCIMSVGBXWWETJ-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)ccc1F ZINC000981971094 751385133 /nfs/dbraw/zinc/38/51/33/751385133.db2.gz CCIMSVGBXWWETJ-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001023638141 737125022 /nfs/dbraw/zinc/12/50/22/737125022.db2.gz YEBHXLDUTIALLQ-KGLIPLIRSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001023639629 737127849 /nfs/dbraw/zinc/12/78/49/737127849.db2.gz LAEWMTRTZCHLLC-HIFRSBDPSA-N 1 1 348.451 0.560 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001023650887 737142202 /nfs/dbraw/zinc/14/22/02/737142202.db2.gz DQAIFNFETOXDBN-ZDUSSCGKSA-N 1 1 329.404 0.959 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972637890 737196694 /nfs/dbraw/zinc/19/66/94/737196694.db2.gz FGUPLVCYYNIFSH-KSSFIOAISA-N 1 1 345.447 0.789 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972637890 737196696 /nfs/dbraw/zinc/19/66/96/737196696.db2.gz FGUPLVCYYNIFSH-KSSFIOAISA-N 1 1 345.447 0.789 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001023692856 737207087 /nfs/dbraw/zinc/20/70/87/737207087.db2.gz MQUNUZCTBHXYJZ-CABCVRRESA-N 1 1 331.420 0.705 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001023692516 737207123 /nfs/dbraw/zinc/20/71/23/737207123.db2.gz BKTPXMBKBXJIRL-KBPBESRZSA-N 1 1 346.431 0.962 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001023692859 737207874 /nfs/dbraw/zinc/20/78/74/737207874.db2.gz MQUNUZCTBHXYJZ-LSDHHAIUSA-N 1 1 331.420 0.705 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972642223 737213990 /nfs/dbraw/zinc/21/39/90/737213990.db2.gz DXSIGYLFJBEGQL-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972642223 737213998 /nfs/dbraw/zinc/21/39/98/737213998.db2.gz DXSIGYLFJBEGQL-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC001023711201 737219085 /nfs/dbraw/zinc/21/90/85/737219085.db2.gz XJRXLTHBZQNSRS-AWEZNQCLSA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CCn3cncn3)C2)cn1 ZINC001023710547 737219137 /nfs/dbraw/zinc/21/91/37/737219137.db2.gz NESDSVHUALDZGC-OAHLLOKOSA-N 1 1 338.415 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001023707500 737224706 /nfs/dbraw/zinc/22/47/06/737224706.db2.gz RSPMZMDQTKKBBD-LBPRGKRZSA-N 1 1 325.368 0.645 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCCO)CCO3)nc1 ZINC000972644031 737238386 /nfs/dbraw/zinc/23/83/86/737238386.db2.gz VMTKTVWJFIBBJY-SFHVURJKSA-N 1 1 329.400 0.362 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCCO)CCO3)nc1 ZINC000972644031 737238388 /nfs/dbraw/zinc/23/83/88/737238388.db2.gz VMTKTVWJFIBBJY-SFHVURJKSA-N 1 1 329.400 0.362 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001023742137 737280937 /nfs/dbraw/zinc/28/09/37/737280937.db2.gz DDGQRDMWBNCDLC-ZDUSSCGKSA-N 1 1 334.420 0.894 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3ccn(C)n3)C2)C1=O ZINC001023748061 737293655 /nfs/dbraw/zinc/29/36/55/737293655.db2.gz OADXJDRGTIKTSZ-GDBMZVCRSA-N 1 1 345.447 0.649 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972684386 737374480 /nfs/dbraw/zinc/37/44/80/737374480.db2.gz SJWORVMWQZMYLS-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083264310 737402887 /nfs/dbraw/zinc/40/28/87/737402887.db2.gz RWKBWHJRTISHFM-XKQJLSEDSA-N 1 1 330.384 0.924 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083264310 737402890 /nfs/dbraw/zinc/40/28/90/737402890.db2.gz RWKBWHJRTISHFM-XKQJLSEDSA-N 1 1 330.384 0.924 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(OCC)cn3)C2)C1 ZINC000972703890 737493674 /nfs/dbraw/zinc/49/36/74/737493674.db2.gz VVKVPOQOXRAKJI-SFHVURJKSA-N 1 1 344.415 0.816 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(OCC)cn3)C2)C1 ZINC000972703890 737493677 /nfs/dbraw/zinc/49/36/77/737493677.db2.gz VVKVPOQOXRAKJI-SFHVURJKSA-N 1 1 344.415 0.816 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCCC3)C2)nc1 ZINC000972750987 737591405 /nfs/dbraw/zinc/59/14/05/737591405.db2.gz GVEKIVVYOCZIBM-MRXNPFEDSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCCC3)C2)nc1 ZINC000972750987 737591408 /nfs/dbraw/zinc/59/14/08/737591408.db2.gz GVEKIVVYOCZIBM-MRXNPFEDSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)nc1 ZINC000972750794 737591998 /nfs/dbraw/zinc/59/19/98/737591998.db2.gz DPIBMGJIWGWIMH-OAHLLOKOSA-N 1 1 326.400 0.442 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)nc1 ZINC000972750794 737592000 /nfs/dbraw/zinc/59/20/00/737592000.db2.gz DPIBMGJIWGWIMH-OAHLLOKOSA-N 1 1 326.400 0.442 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)nc1 ZINC000972756808 737597944 /nfs/dbraw/zinc/59/79/44/737597944.db2.gz PKRGCIGRRFEHDQ-HOCLYGCPSA-N 1 1 326.400 0.440 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001024088491 737687728 /nfs/dbraw/zinc/68/77/28/737687728.db2.gz DWYFJOLTBWFEQD-UONOGXRCSA-N 1 1 346.435 0.342 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)NC(=O)C2CCC2)CC1 ZINC001098584422 737716035 /nfs/dbraw/zinc/71/60/35/737716035.db2.gz VJHDKSFFSUILOI-CQSZACIVSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCO3)C[C@H]21 ZINC000972835019 737758976 /nfs/dbraw/zinc/75/89/76/737758976.db2.gz LEULMCSQNBCMNL-TWMKSMIVSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCO3)C[C@H]21 ZINC000972835019 737758979 /nfs/dbraw/zinc/75/89/79/737758979.db2.gz LEULMCSQNBCMNL-TWMKSMIVSA-N 1 1 345.443 0.322 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCn2cncn2)[nH]1 ZINC001024395533 737938721 /nfs/dbraw/zinc/93/87/21/737938721.db2.gz BUXFLESKUFTWMA-AWEZNQCLSA-N 1 1 327.392 0.762 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC001098586950 738059835 /nfs/dbraw/zinc/05/98/35/738059835.db2.gz QUPSOUUGGPKOOT-OAHLLOKOSA-N 1 1 332.448 0.832 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)CC1 ZINC001098588672 738128289 /nfs/dbraw/zinc/12/82/89/738128289.db2.gz NNYGDKIFANRXNZ-LJQANCHMSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccn4nnnc4c3)C(C)(C)[C@H]21 ZINC001087299164 738160593 /nfs/dbraw/zinc/16/05/93/738160593.db2.gz QTVFXOOZXVZNFC-BMFZPTHFSA-N 1 1 338.415 0.976 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC(N)=O)[C@@H]3C2(C)C)nn1 ZINC001087306000 738203743 /nfs/dbraw/zinc/20/37/43/738203743.db2.gz BRYAUYWLSUQAKN-DFBGVHRSSA-N 1 1 346.435 0.168 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CC(N)=O)[C@@H]3C2(C)C)nn1 ZINC001087306000 738203745 /nfs/dbraw/zinc/20/37/45/738203745.db2.gz BRYAUYWLSUQAKN-DFBGVHRSSA-N 1 1 346.435 0.168 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CCN([C@H](CC)C(N)=O)CC2)CC1 ZINC001006446464 751392417 /nfs/dbraw/zinc/39/24/17/751392417.db2.gz ZUYNQBNXGKYSTD-QGZVFWFLSA-N 1 1 348.491 0.518 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001024704514 738231750 /nfs/dbraw/zinc/23/17/50/738231750.db2.gz OBYWYNULKAVTQQ-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001024704514 738231753 /nfs/dbraw/zinc/23/17/53/738231753.db2.gz OBYWYNULKAVTQQ-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1 ZINC001083271393 738240085 /nfs/dbraw/zinc/24/00/85/738240085.db2.gz GEWACXAWWGEXKI-HYVNUMGLSA-N 1 1 347.459 0.875 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1 ZINC001083271393 738240089 /nfs/dbraw/zinc/24/00/89/738240089.db2.gz GEWACXAWWGEXKI-HYVNUMGLSA-N 1 1 347.459 0.875 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C(C)(C)[C@H]21 ZINC001087316024 738270753 /nfs/dbraw/zinc/27/07/53/738270753.db2.gz LLMKFOYBYQJYIE-XBFCOCLRSA-N 1 1 346.431 0.891 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001024758809 738274065 /nfs/dbraw/zinc/27/40/65/738274065.db2.gz ZEJOUMXFEJPVIJ-NSHDSACASA-N 1 1 334.376 0.504 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CCC3=O)C(C)(C)[C@H]21 ZINC001087317487 738284185 /nfs/dbraw/zinc/28/41/85/738284185.db2.gz JATOAPBUVFFCRL-JLZZUVOBSA-N 1 1 331.416 0.374 20 30 ECEDMO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1)c1nnnn1C ZINC001024916625 738393763 /nfs/dbraw/zinc/39/37/63/738393763.db2.gz ULCCFBHFBCFYNG-WCQYABFASA-N 1 1 342.407 0.755 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001025243677 738908428 /nfs/dbraw/zinc/90/84/28/738908428.db2.gz DIPOXGQZAWVHRC-HZPDHXFCSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001025243677 738908435 /nfs/dbraw/zinc/90/84/35/738908435.db2.gz DIPOXGQZAWVHRC-HZPDHXFCSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025258145 738943841 /nfs/dbraw/zinc/94/38/41/738943841.db2.gz JCMQBZAARCAMBY-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025276381 738996842 /nfs/dbraw/zinc/99/68/42/738996842.db2.gz JDATYSNFROBFTR-GJZGRUSLSA-N 1 1 348.447 0.960 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001025281929 739004655 /nfs/dbraw/zinc/00/46/55/739004655.db2.gz XKYVPDDXOHLBTI-HOTGVXAUSA-N 1 1 330.436 0.932 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1nc(C)n(C)c1=O ZINC001025294753 739014128 /nfs/dbraw/zinc/01/41/28/739014128.db2.gz CINMNQHJEDJQJJ-HOTGVXAUSA-N 1 1 347.463 0.922 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104579922 739073004 /nfs/dbraw/zinc/07/30/04/739073004.db2.gz SJYNIOHASKNJEA-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104579922 739073009 /nfs/dbraw/zinc/07/30/09/739073009.db2.gz SJYNIOHASKNJEA-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2onc(C)c2C)C1 ZINC000973388857 739193984 /nfs/dbraw/zinc/19/39/84/739193984.db2.gz IWGKTPCTBIBLEW-KKUMJFAQSA-N 1 1 344.415 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2onc(C)c2C)C1 ZINC000973388857 739193986 /nfs/dbraw/zinc/19/39/86/739193986.db2.gz IWGKTPCTBIBLEW-KKUMJFAQSA-N 1 1 344.415 0.766 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(C)ncn2)nn1 ZINC001028187553 751421980 /nfs/dbraw/zinc/42/19/80/751421980.db2.gz KTPWTOVOLPNGSG-HNNXBMFYSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(C)ncn2)nn1 ZINC001028187553 751421983 /nfs/dbraw/zinc/42/19/83/751421983.db2.gz KTPWTOVOLPNGSG-HNNXBMFYSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2nc(C)c[nH]2)C1=O ZINC001028190924 751428345 /nfs/dbraw/zinc/42/83/45/751428345.db2.gz FQWARDBKOSAVEN-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nc(C)c[nH]2)C1=O ZINC001028190924 751428348 /nfs/dbraw/zinc/42/83/48/751428348.db2.gz FQWARDBKOSAVEN-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N(C)C)nn1 ZINC001028191958 751429704 /nfs/dbraw/zinc/42/97/04/751429704.db2.gz DPKPXLBUTMICBK-CYBMUJFWSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N(C)C)nn1 ZINC001028191958 751429706 /nfs/dbraw/zinc/42/97/06/751429706.db2.gz DPKPXLBUTMICBK-CYBMUJFWSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCCNC2=O)nn1 ZINC001028193028 751434245 /nfs/dbraw/zinc/43/42/45/751434245.db2.gz UUFAGTVXEOVVGE-UKRRQHHQSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCCNC2=O)nn1 ZINC001028193028 751434250 /nfs/dbraw/zinc/43/42/50/751434250.db2.gz UUFAGTVXEOVVGE-UKRRQHHQSA-N 1 1 346.435 0.327 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001025454176 739549616 /nfs/dbraw/zinc/54/96/16/739549616.db2.gz WQNZBCNYRNCLAI-ZIAGYGMSSA-N 1 1 326.404 0.896 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCOC3CCOCC3)C2)nn1 ZINC001105359545 751457684 /nfs/dbraw/zinc/45/76/84/751457684.db2.gz MQVCPOAHLKSJSO-UHFFFAOYSA-N 1 1 349.435 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001025458224 739571680 /nfs/dbraw/zinc/57/16/80/739571680.db2.gz HFPYRZMSNUPONZ-OLZOCXBDSA-N 1 1 332.404 0.957 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001025460214 739575552 /nfs/dbraw/zinc/57/55/52/739575552.db2.gz XUQAUTYIZFDNCT-RYUDHWBXSA-N 1 1 339.417 0.391 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cc(Cl)cn3)[C@H]2C1 ZINC001083282882 739654692 /nfs/dbraw/zinc/65/46/92/739654692.db2.gz XKAVQUBRKOLVKF-LSDHHAIUSA-N 1 1 336.823 0.862 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc(Cl)cn3)[C@H]2C1 ZINC001083282882 739654696 /nfs/dbraw/zinc/65/46/96/739654696.db2.gz XKAVQUBRKOLVKF-LSDHHAIUSA-N 1 1 336.823 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001025527762 739691071 /nfs/dbraw/zinc/69/10/71/739691071.db2.gz LGQDGCIXABLQTK-HUUCEWRRSA-N 1 1 344.459 0.987 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001025598169 739763180 /nfs/dbraw/zinc/76/31/80/739763180.db2.gz VLLKPXKBTPXOCI-LSDHHAIUSA-N 1 1 331.416 0.916 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c(OC)ncnc2OC)C1 ZINC001025636639 739804633 /nfs/dbraw/zinc/80/46/33/739804633.db2.gz AUCJZUDEGNLWTF-QWHCGFSZSA-N 1 1 332.404 0.957 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC000982023575 751487146 /nfs/dbraw/zinc/48/71/46/751487146.db2.gz MTEXUSRTNKNHIA-OAGGEKHMSA-N 1 1 347.459 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCCO2)C1=O ZINC001025740557 739909891 /nfs/dbraw/zinc/90/98/91/739909891.db2.gz SCLGSOATEJIJMA-LEOABGAYSA-N 1 1 333.432 0.389 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](OC)C3CCC3)C[C@H]21 ZINC001025814081 739997418 /nfs/dbraw/zinc/99/74/18/739997418.db2.gz OPBIUUXSPQBJKY-ZWJWXYIHSA-N 1 1 345.487 0.946 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070006595 790306763 /nfs/dbraw/zinc/30/67/63/790306763.db2.gz FTGUHNLWKITZLR-ILXRZTDVSA-N 1 1 346.435 0.205 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070006595 790306766 /nfs/dbraw/zinc/30/67/66/790306766.db2.gz FTGUHNLWKITZLR-ILXRZTDVSA-N 1 1 346.435 0.205 20 30 ECEDMO Cc1nsc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001068464210 790320977 /nfs/dbraw/zinc/32/09/77/790320977.db2.gz BRDNRBQRJGDWEI-OBJOEFQTSA-N 1 1 349.460 0.961 20 30 ECEDMO Cc1nsc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001068464210 790320988 /nfs/dbraw/zinc/32/09/88/790320988.db2.gz BRDNRBQRJGDWEI-OBJOEFQTSA-N 1 1 349.460 0.961 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)n2C)[C@@H](n2ccnn2)C1 ZINC001070007843 790310079 /nfs/dbraw/zinc/31/00/79/790310079.db2.gz DBYOLMDBUSJZBF-HIFRSBDPSA-N 1 1 329.408 0.551 20 30 ECEDMO NC(=O)[C@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001025938403 740267331 /nfs/dbraw/zinc/26/73/31/740267331.db2.gz XBBPJNGKMSVMAE-IGKNDFSCSA-N 1 1 337.423 0.596 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000988091043 751520373 /nfs/dbraw/zinc/52/03/73/751520373.db2.gz LZGIDHDXVIYFEZ-BNOWGMLFSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1=O ZINC001026060805 740350283 /nfs/dbraw/zinc/35/02/83/740350283.db2.gz YOIXQEHYNPKMFO-HQGJOLIPSA-N 1 1 345.443 0.387 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CCC[N@H+]([C@H](CC)C(N)=O)C3)nn1 ZINC000982058768 751538674 /nfs/dbraw/zinc/53/86/74/751538674.db2.gz XVULTTHRCVFGNR-CQSZACIVSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CCC[N@H+](C[C@H](C)O)C3)nn1 ZINC000982060871 751542264 /nfs/dbraw/zinc/54/22/64/751542264.db2.gz GSNFNEJFRXHIBN-AWEZNQCLSA-N 1 1 333.436 0.773 20 30 ECEDMO CN(C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1nccnc1C#N ZINC001058690201 740477135 /nfs/dbraw/zinc/47/71/35/740477135.db2.gz CYCUAIAHRDUMTJ-LSDHHAIUSA-N 1 1 342.447 0.975 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccnc(C#N)n2)C1 ZINC001104794511 740515372 /nfs/dbraw/zinc/51/53/72/740515372.db2.gz JFPYMGNXZOHXQS-KGLIPLIRSA-N 1 1 346.435 0.138 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccnc(C#N)n2)C1 ZINC001104794511 740515373 /nfs/dbraw/zinc/51/53/73/740515373.db2.gz JFPYMGNXZOHXQS-KGLIPLIRSA-N 1 1 346.435 0.138 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2cncc(C#N)n2)C1 ZINC001104795646 740516363 /nfs/dbraw/zinc/51/63/63/740516363.db2.gz WGNINBXTQZCEIN-UKRRQHHQSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2cncc(C#N)n2)C1 ZINC001104795646 740516364 /nfs/dbraw/zinc/51/63/64/740516364.db2.gz WGNINBXTQZCEIN-UKRRQHHQSA-N 1 1 346.435 0.716 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000973959113 740670987 /nfs/dbraw/zinc/67/09/87/740670987.db2.gz OIYREYCAPWGKOI-OWCLPIDISA-N 1 1 326.400 0.534 20 30 ECEDMO N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001059856838 751573402 /nfs/dbraw/zinc/57/34/02/751573402.db2.gz ANBDQKWWOLMIFK-COMQUAJESA-N 1 1 342.403 0.271 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1nccnc1C#N ZINC001104862588 740749757 /nfs/dbraw/zinc/74/97/57/740749757.db2.gz NNOALMRASAYGQM-HIFRSBDPSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1nccnc1C#N ZINC001104862588 740749759 /nfs/dbraw/zinc/74/97/59/740749759.db2.gz NNOALMRASAYGQM-HIFRSBDPSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cc(COC)ncn1 ZINC001104862944 740754145 /nfs/dbraw/zinc/75/41/45/740754145.db2.gz TZSCAKGDZXTDJQ-ZBFHGGJFSA-N 1 1 345.447 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cc(COC)ncn1 ZINC001104862944 740754148 /nfs/dbraw/zinc/75/41/48/740754148.db2.gz TZSCAKGDZXTDJQ-ZBFHGGJFSA-N 1 1 345.447 0.979 20 30 ECEDMO Cc1cc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001104869825 740769317 /nfs/dbraw/zinc/76/93/17/740769317.db2.gz FQABRDSLIVIMPF-JJRVBVJISA-N 1 1 345.447 0.662 20 30 ECEDMO Cc1cc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001104869825 740769320 /nfs/dbraw/zinc/76/93/20/740769320.db2.gz FQABRDSLIVIMPF-JJRVBVJISA-N 1 1 345.447 0.662 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000974049299 740839301 /nfs/dbraw/zinc/83/93/01/740839301.db2.gz HVPBJLHQZPPIOH-BNOWGMLFSA-N 1 1 329.404 0.605 20 30 ECEDMO CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001104950598 741018223 /nfs/dbraw/zinc/01/82/23/741018223.db2.gz WZDOEYYQMBDBRV-UONOGXRCSA-N 1 1 330.436 0.665 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCn3cccn3)C2)nn1 ZINC001098614992 741042331 /nfs/dbraw/zinc/04/23/31/741042331.db2.gz GCLHVQIBFFPXAQ-HNNXBMFYSA-N 1 1 329.408 0.614 20 30 ECEDMO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C(F)(F)F ZINC001112070934 741143395 /nfs/dbraw/zinc/14/33/95/741143395.db2.gz LAPPOYKDQPVOML-HBNTYKKESA-N 1 1 334.342 0.651 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000974327168 741326893 /nfs/dbraw/zinc/32/68/93/741326893.db2.gz NTPHYWDELOGYLS-RRQGHBQHSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001006653833 751626998 /nfs/dbraw/zinc/62/69/98/751626998.db2.gz SIIACZKNWNVMDY-ZIAGYGMSSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001006653833 751627005 /nfs/dbraw/zinc/62/70/05/751627005.db2.gz SIIACZKNWNVMDY-ZIAGYGMSSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)CC(F)(F)F)C2)nn1 ZINC001105178867 741443869 /nfs/dbraw/zinc/44/38/69/741443869.db2.gz VXRAHYDKXOPMAO-UHFFFAOYSA-N 1 1 347.341 0.906 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCC(NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001026520137 741508628 /nfs/dbraw/zinc/50/86/28/741508628.db2.gz HQALSTFCSSITKB-BPCQOVAHSA-N 1 1 332.408 0.222 20 30 ECEDMO CC(C)COCC[NH2+]Cc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1 ZINC001105233240 741519846 /nfs/dbraw/zinc/51/98/46/741519846.db2.gz OXVUCWLXEAVJQK-UHFFFAOYSA-N 1 1 345.447 0.837 20 30 ECEDMO COCCOCC[NH2+]Cc1cn(C2CN(C(=O)C#CC(C)C)C2)nn1 ZINC001105238162 741525096 /nfs/dbraw/zinc/52/50/96/741525096.db2.gz MPAPWUOADSIWDD-UHFFFAOYSA-N 1 1 349.435 0.073 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCOCC(F)F)C2)nn1 ZINC001105240549 741533396 /nfs/dbraw/zinc/53/33/96/741533396.db2.gz RCPVUZATNYUIPJ-UHFFFAOYSA-N 1 1 329.351 0.609 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)c3ccnn3C)C2)nn1 ZINC001105242633 741539422 /nfs/dbraw/zinc/53/94/22/741539422.db2.gz CEIWVGACLSVXOT-CYBMUJFWSA-N 1 1 343.435 0.864 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C(F)F)n3)C2)nn1 ZINC001105249174 741552531 /nfs/dbraw/zinc/55/25/31/741552531.db2.gz MVCWCSXQGJMJSC-UHFFFAOYSA-N 1 1 337.334 0.842 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3ccn(C)n3)C2)nn1 ZINC001105252375 741561707 /nfs/dbraw/zinc/56/17/07/741561707.db2.gz NULWKFWEIGWPTJ-UHFFFAOYSA-N 1 1 343.435 0.693 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)nn1 ZINC001105253689 741566872 /nfs/dbraw/zinc/56/68/72/741566872.db2.gz AALUOFBINQQBKT-CYBMUJFWSA-N 1 1 346.435 0.194 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]c4c3CCCC4)C2)nn1 ZINC001105276694 741630385 /nfs/dbraw/zinc/63/03/85/741630385.db2.gz QZCFJKLDRKFDAZ-UHFFFAOYSA-N 1 1 341.419 0.853 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ncc(OC)cn3)C2)nn1 ZINC001105278418 741633693 /nfs/dbraw/zinc/63/36/93/741633693.db2.gz BTNQWNFTEBSCJI-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#C)C1 ZINC001112093732 741642361 /nfs/dbraw/zinc/64/23/61/741642361.db2.gz LFDJBAMEZHZGEI-CHWSQXEVSA-N 1 1 343.349 0.518 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cncc(C)c3)C2)nn1 ZINC001105289578 741653059 /nfs/dbraw/zinc/65/30/59/741653059.db2.gz FWNKEWXMNPVKBL-UHFFFAOYSA-N 1 1 326.404 0.883 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1ccncc1C#N ZINC001105302242 741689851 /nfs/dbraw/zinc/68/98/51/741689851.db2.gz HFVROJDTZCANKM-KBRIMQKVSA-N 1 1 345.447 0.647 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1ccncc1C#N ZINC001105302242 741689852 /nfs/dbraw/zinc/68/98/52/741689852.db2.gz HFVROJDTZCANKM-KBRIMQKVSA-N 1 1 345.447 0.647 20 30 ECEDMO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F ZINC001112097784 741695250 /nfs/dbraw/zinc/69/52/50/741695250.db2.gz MJCDTUZIVZOTOV-VXGBXAGGSA-N 1 1 331.338 0.515 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001105319023 741765237 /nfs/dbraw/zinc/76/52/37/741765237.db2.gz XILTYMZURSXXDF-UHFFFAOYSA-N 1 1 330.436 0.116 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3C[C@H]3C)C2)nn1 ZINC001105320742 741774869 /nfs/dbraw/zinc/77/48/69/741774869.db2.gz IDUVVJWJPRMHTC-ZIAGYGMSSA-N 1 1 333.436 1.000 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000982161197 751669428 /nfs/dbraw/zinc/66/94/28/751669428.db2.gz JPGNGHYWGAFKRR-OAHLLOKOSA-N 1 1 327.432 0.707 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327239 741813513 /nfs/dbraw/zinc/81/35/13/741813513.db2.gz XXAXLGUFZNHOFY-AWEZNQCLSA-N 1 1 332.452 0.811 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 ZINC001105331685 741842417 /nfs/dbraw/zinc/84/24/17/741842417.db2.gz MPGYGXNRTHVYEI-OAGGEKHMSA-N 1 1 331.420 0.895 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)[C@@H]3CCC(=O)N3)C2)nn1 ZINC001105332122 741843594 /nfs/dbraw/zinc/84/35/94/741843594.db2.gz XMVPFASFCAUFPC-WFASDCNBSA-N 1 1 346.435 0.242 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C(C)(C)C1 ZINC000974578538 741910914 /nfs/dbraw/zinc/91/09/14/741910914.db2.gz QBYZYIBQVPPWNV-ZDUSSCGKSA-N 1 1 333.432 0.621 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974587357 741914618 /nfs/dbraw/zinc/91/46/18/741914618.db2.gz XXPBAGPPOFBSIN-HIFRSBDPSA-N 1 1 343.431 0.613 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974604335 741926230 /nfs/dbraw/zinc/92/62/30/741926230.db2.gz PCMYQHGAAHFRGO-OAHLLOKOSA-N 1 1 339.403 0.572 20 30 ECEDMO CN(C)c1nc(C[NH2+]C[C@@H]2CCN(C(=O)C#CC3CC3)C2)ns1 ZINC001026834675 741929829 /nfs/dbraw/zinc/92/98/29/741929829.db2.gz KJXUKLWOOBLKJB-ZDUSSCGKSA-N 1 1 333.461 0.956 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)C(C)(C)C1 ZINC000974665327 741980291 /nfs/dbraw/zinc/98/02/91/741980291.db2.gz OUZLJHNZQSOEKX-STQMWFEESA-N 1 1 332.452 0.991 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)C(C)(C)C1 ZINC000974665327 741980293 /nfs/dbraw/zinc/98/02/93/741980293.db2.gz OUZLJHNZQSOEKX-STQMWFEESA-N 1 1 332.452 0.991 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C(C)(C)C1 ZINC000974688067 742006752 /nfs/dbraw/zinc/00/67/52/742006752.db2.gz HBTLLYLBFKRDRJ-HZPDHXFCSA-N 1 1 325.412 0.973 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000974871212 742284972 /nfs/dbraw/zinc/28/49/72/742284972.db2.gz KEQBTAXHQZYIRP-OLZOCXBDSA-N 1 1 329.391 0.412 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)C(C)(C)C1 ZINC000974901063 742318722 /nfs/dbraw/zinc/31/87/22/742318722.db2.gz ZOZUUHSDQHZFER-AWEZNQCLSA-N 1 1 341.415 0.346 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC(=O)N2CCC2)CC1(C)C ZINC000975069201 742471827 /nfs/dbraw/zinc/47/18/27/742471827.db2.gz ZRRAXGYLXCXEET-ILXRZTDVSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](CC(=O)N2CCC2)CC1(C)C ZINC000975069201 742471829 /nfs/dbraw/zinc/47/18/29/742471829.db2.gz ZRRAXGYLXCXEET-ILXRZTDVSA-N 1 1 335.448 0.636 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000975212418 742609667 /nfs/dbraw/zinc/60/96/67/742609667.db2.gz DPWLAXFRBBNQJL-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000975279974 742688751 /nfs/dbraw/zinc/68/87/51/742688751.db2.gz JFIKXGMPBGGENJ-UKRRQHHQSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC000975362121 742753205 /nfs/dbraw/zinc/75/32/05/742753205.db2.gz RLQDQLXJPBBQIB-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC000975362121 742753207 /nfs/dbraw/zinc/75/32/07/742753207.db2.gz RLQDQLXJPBBQIB-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO N#Cc1cncc(N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001058926856 751766362 /nfs/dbraw/zinc/76/63/62/751766362.db2.gz OVMHYJSDLSINFN-ZDUSSCGKSA-N 1 1 330.392 0.083 20 30 ECEDMO N#CCN1CC[NH+](C2CCC(NC(=O)CN3CCCC3)CC2)CC1 ZINC000996801168 742889259 /nfs/dbraw/zinc/88/92/59/742889259.db2.gz DRMZUPUPOOAVHA-UHFFFAOYSA-N 1 1 333.480 0.651 20 30 ECEDMO C=CCC[NH+]1CCN(C2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 ZINC000996803878 742894507 /nfs/dbraw/zinc/89/45/07/742894507.db2.gz UGTRCKXTCXPQHB-JCYILVPMSA-N 1 1 348.491 0.886 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028935391 742913552 /nfs/dbraw/zinc/91/35/52/742913552.db2.gz BSLIXKYXEPJQTA-WBMJQRKESA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028935391 742913557 /nfs/dbraw/zinc/91/35/57/742913557.db2.gz BSLIXKYXEPJQTA-WBMJQRKESA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)s1 ZINC001028936008 742917884 /nfs/dbraw/zinc/91/78/84/742917884.db2.gz OSAJQQZAOCXWPV-RISCZKNCSA-N 1 1 332.429 0.836 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)nc1 ZINC001028936387 742918346 /nfs/dbraw/zinc/91/83/46/742918346.db2.gz WKDIZXWIPFPLIN-OAHLLOKOSA-N 1 1 341.415 0.140 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC001028939117 742931524 /nfs/dbraw/zinc/93/15/24/742931524.db2.gz GLCQJDACPDFGAL-HIFRSBDPSA-N 1 1 328.416 0.591 20 30 ECEDMO N#Cc1cc(C(=O)NCC[NH2+]Cc2cc(=O)n3ccsc3n2)c[nH]1 ZINC001125988446 742934597 /nfs/dbraw/zinc/93/45/97/742934597.db2.gz WYNHIGVSBILWNF-UHFFFAOYSA-N 1 1 342.384 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2conc2C)C1 ZINC001006760888 751783898 /nfs/dbraw/zinc/78/38/98/751783898.db2.gz WHDWHSFVRNGDPW-LRDDRELGSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2conc2C)C1 ZINC001006760888 751783899 /nfs/dbraw/zinc/78/38/99/751783899.db2.gz WHDWHSFVRNGDPW-LRDDRELGSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2cnon2)C1 ZINC000975513659 743026390 /nfs/dbraw/zinc/02/63/90/743026390.db2.gz QEXFLYGYWWPJEH-ZFWWWQNUSA-N 1 1 345.403 0.136 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2cnon2)C1 ZINC000975513659 743026399 /nfs/dbraw/zinc/02/63/99/743026399.db2.gz QEXFLYGYWWPJEH-ZFWWWQNUSA-N 1 1 345.403 0.136 20 30 ECEDMO C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]1(C)C[N@H+]([C@H]1CCNC1=O)C2 ZINC000982261174 751791772 /nfs/dbraw/zinc/79/17/72/751791772.db2.gz QIAPDANPGSMECE-JCGIZDLHSA-N 1 1 341.415 0.559 20 30 ECEDMO COCc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000983423197 743114217 /nfs/dbraw/zinc/11/42/17/743114217.db2.gz RCXICPNQKMMMSA-UMSPYCQHSA-N 1 1 344.375 0.714 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)nc1 ZINC000997093929 743227500 /nfs/dbraw/zinc/22/75/00/743227500.db2.gz SLWPONQXOZAFGN-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncccc2Cl)C1 ZINC000997171374 743313234 /nfs/dbraw/zinc/31/32/34/743313234.db2.gz KBUCENMJOLDGCR-AWEZNQCLSA-N 1 1 346.818 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncccc2Cl)C1 ZINC000997171374 743313242 /nfs/dbraw/zinc/31/32/42/743313242.db2.gz KBUCENMJOLDGCR-AWEZNQCLSA-N 1 1 346.818 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(Cl)cn2)C1 ZINC000997177387 743318001 /nfs/dbraw/zinc/31/80/01/743318001.db2.gz XPRPEFMKBBMWFV-HNNXBMFYSA-N 1 1 346.818 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(Cl)cn2)C1 ZINC000997177387 743318011 /nfs/dbraw/zinc/31/80/11/743318011.db2.gz XPRPEFMKBBMWFV-HNNXBMFYSA-N 1 1 346.818 0.773 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000997235403 743383992 /nfs/dbraw/zinc/38/39/92/743383992.db2.gz FMZXCHGZIFIGFS-HNNXBMFYSA-N 1 1 339.439 0.879 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000997244931 743401465 /nfs/dbraw/zinc/40/14/65/743401465.db2.gz CXCKVRSJHJRBGK-KBXCAEBGSA-N 1 1 339.439 0.735 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000997245316 743402823 /nfs/dbraw/zinc/40/28/23/743402823.db2.gz DHCVUEPFTFZFSP-OAHLLOKOSA-N 1 1 339.439 0.879 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000997260168 743418622 /nfs/dbraw/zinc/41/86/22/743418622.db2.gz GCWQVPZNMKISEK-YPMHNXCESA-N 1 1 328.844 0.979 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CCOCC)nn2)C1 ZINC001105380859 743421690 /nfs/dbraw/zinc/42/16/90/743421690.db2.gz IKYBHNYODYEXRK-CYBMUJFWSA-N 1 1 337.424 0.379 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)c(C)cn2)C1 ZINC000997602293 743703385 /nfs/dbraw/zinc/70/33/85/743703385.db2.gz DDBSDQQOLPGOSB-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)c(C)cn2)C1 ZINC000997602293 743703389 /nfs/dbraw/zinc/70/33/89/743703389.db2.gz DDBSDQQOLPGOSB-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)c3cnc(C)[nH]3)CC2)C1=O ZINC000997611367 743708245 /nfs/dbraw/zinc/70/82/45/743708245.db2.gz DGNIROPYYSMHLL-OAHLLOKOSA-N 1 1 345.447 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(Cc2cnon2)CC1 ZINC000997624479 743716740 /nfs/dbraw/zinc/71/67/40/743716740.db2.gz PRYRCYXOHXRBNZ-YOEHRIQHSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(Cc2cnon2)CC1 ZINC000997624479 743716746 /nfs/dbraw/zinc/71/67/46/743716746.db2.gz PRYRCYXOHXRBNZ-YOEHRIQHSA-N 1 1 345.447 0.884 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976324824 743815838 /nfs/dbraw/zinc/81/58/38/743815838.db2.gz WFKYDGHVMBPHJF-OSRDXIQISA-N 1 1 327.388 0.167 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000976309168 743817250 /nfs/dbraw/zinc/81/72/50/743817250.db2.gz IKXCEPUSGYFNOV-LJISPDSOSA-N 1 1 335.448 0.492 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000976309168 743817253 /nfs/dbraw/zinc/81/72/53/743817253.db2.gz IKXCEPUSGYFNOV-LJISPDSOSA-N 1 1 335.448 0.492 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976363944 743858603 /nfs/dbraw/zinc/85/86/03/743858603.db2.gz VQRMLEJXPDMISN-CVGURMSBSA-N 1 1 341.415 0.557 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001027348431 743867263 /nfs/dbraw/zinc/86/72/63/743867263.db2.gz BHCGEXLHUUVYEA-HOTGVXAUSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001027348431 743867266 /nfs/dbraw/zinc/86/72/66/743867266.db2.gz BHCGEXLHUUVYEA-HOTGVXAUSA-N 1 1 345.447 0.662 20 30 ECEDMO C[N@H+]([C@@H]1CCCNC1=O)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027354651 743916694 /nfs/dbraw/zinc/91/66/94/743916694.db2.gz IFGDMAJCFZAJSK-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027371741 744019281 /nfs/dbraw/zinc/01/92/81/744019281.db2.gz IFEBWBSSXWQQQY-AWEZNQCLSA-N 1 1 344.419 0.448 20 30 ECEDMO Cn1nncc1C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027372254 744020981 /nfs/dbraw/zinc/02/09/81/744020981.db2.gz PTTQIVZQPZQGHD-CYBMUJFWSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1nncc1C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027372254 744020985 /nfs/dbraw/zinc/02/09/85/744020985.db2.gz PTTQIVZQPZQGHD-CYBMUJFWSA-N 1 1 327.392 0.751 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000998175153 744029530 /nfs/dbraw/zinc/02/95/30/744029530.db2.gz WXLFLWFJCZKJIG-ZFWWWQNUSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC000998186881 744038221 /nfs/dbraw/zinc/03/82/21/744038221.db2.gz HMBJEKLVVXWJGC-MSOLQXFVSA-N 1 1 349.475 0.960 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000998201511 744047375 /nfs/dbraw/zinc/04/73/75/744047375.db2.gz ZEIBCSJAAHACFI-CQSZACIVSA-N 1 1 348.451 0.656 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000976543677 744065578 /nfs/dbraw/zinc/06/55/78/744065578.db2.gz FAKRRXYOZPNVOP-ODICJLLRSA-N 1 1 333.432 0.102 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976586358 744109753 /nfs/dbraw/zinc/10/97/53/744109753.db2.gz OJGIMDNVEMSQEP-DZTUFKMZSA-N 1 1 347.459 0.492 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001020604507 751890923 /nfs/dbraw/zinc/89/09/23/751890923.db2.gz ALMMFKSSGJNTBA-SYQHCUMBSA-N 1 1 334.424 0.582 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001027410802 744217000 /nfs/dbraw/zinc/21/70/00/744217000.db2.gz ZKLZIOGYBCPLCJ-KGLIPLIRSA-N 1 1 331.420 0.871 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)NC1CN(C(=O)C#CC3CC3)C1)CC2 ZINC000998562887 744229121 /nfs/dbraw/zinc/22/91/21/744229121.db2.gz XSCYGGZTVPPDAA-CQSZACIVSA-N 1 1 326.400 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000998662198 744274099 /nfs/dbraw/zinc/27/40/99/744274099.db2.gz JJFJVDVYBUNMFH-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCCO3)C[C@H]21 ZINC000976742649 744278235 /nfs/dbraw/zinc/27/82/35/744278235.db2.gz UYKUGDVTTRUAHL-DMRKSPOLSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCCO3)C[C@H]21 ZINC000976742649 744278237 /nfs/dbraw/zinc/27/82/37/744278237.db2.gz UYKUGDVTTRUAHL-DMRKSPOLSA-N 1 1 345.443 0.226 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000998797200 744346802 /nfs/dbraw/zinc/34/68/02/744346802.db2.gz HKDUXVCNGHEXJN-HUUCEWRRSA-N 1 1 331.420 0.320 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C ZINC000998848126 744370718 /nfs/dbraw/zinc/37/07/18/744370718.db2.gz FAVYMXHOCAZZQX-PWSUYJOCSA-N 1 1 328.380 0.365 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3CCF)C2)c1 ZINC000998850318 744370956 /nfs/dbraw/zinc/37/09/56/744370956.db2.gz SAWOIQXEDVJHOF-CYBMUJFWSA-N 1 1 345.382 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnoc2C(C)C)C1 ZINC000998966602 744437119 /nfs/dbraw/zinc/43/71/19/744437119.db2.gz ZJMMMYFVSZUSJH-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnoc2C(C)C)C1 ZINC000998966602 744437122 /nfs/dbraw/zinc/43/71/22/744437122.db2.gz ZJMMMYFVSZUSJH-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nncn1C ZINC000998969632 744439665 /nfs/dbraw/zinc/43/96/65/744439665.db2.gz MYQWJUNJNQKUAQ-YPMHNXCESA-N 1 1 327.392 0.970 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2occc2CC)C1 ZINC000999134816 744528694 /nfs/dbraw/zinc/52/86/94/744528694.db2.gz LGQKKFOTLNGJLA-HNNXBMFYSA-N 1 1 329.400 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2occc2CC)C1 ZINC000999134816 744528695 /nfs/dbraw/zinc/52/86/95/744528695.db2.gz LGQKKFOTLNGJLA-HNNXBMFYSA-N 1 1 329.400 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000999312630 744618731 /nfs/dbraw/zinc/61/87/31/744618731.db2.gz ZVJAQSLLZLVQBA-CQSZACIVSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1conc1C ZINC000977097594 744671267 /nfs/dbraw/zinc/67/12/67/744671267.db2.gz WKQLISXLTKQZAX-LQKXBSAESA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1conc1C ZINC000977097594 744671271 /nfs/dbraw/zinc/67/12/71/744671271.db2.gz WKQLISXLTKQZAX-LQKXBSAESA-N 1 1 342.399 0.267 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@H]32)c1 ZINC000977155534 744723500 /nfs/dbraw/zinc/72/35/00/744723500.db2.gz BMDLGWTWWMZATB-VQFNDLOPSA-N 1 1 349.394 0.455 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000977206968 744767670 /nfs/dbraw/zinc/76/76/70/744767670.db2.gz HKQCHGMKTSWAFV-ORDIRQJYSA-N 1 1 341.415 0.271 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCC[C@H]1C ZINC000977211354 744789660 /nfs/dbraw/zinc/78/96/60/744789660.db2.gz XDSAWKKAZILSBD-XDKXFUCDSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCC[C@H]1C ZINC000977211354 744789661 /nfs/dbraw/zinc/78/96/61/744789661.db2.gz XDSAWKKAZILSBD-XDKXFUCDSA-N 1 1 345.443 0.082 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC000977227339 744797459 /nfs/dbraw/zinc/79/74/59/744797459.db2.gz QSMNHYPYKGIGJT-KDEOKCCVSA-N 1 1 344.415 0.356 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001027494126 744813066 /nfs/dbraw/zinc/81/30/66/744813066.db2.gz VNHANLJZLIFYGT-OAHLLOKOSA-N 1 1 343.493 0.911 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)nn1 ZINC000977272486 744827599 /nfs/dbraw/zinc/82/75/99/744827599.db2.gz JOMYNUBSCOCSRB-KGLIPLIRSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)nn1 ZINC000977272486 744827601 /nfs/dbraw/zinc/82/76/01/744827601.db2.gz JOMYNUBSCOCSRB-KGLIPLIRSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C)on1 ZINC000977334483 744859722 /nfs/dbraw/zinc/85/97/22/744859722.db2.gz OOJOZTOQUKRMSD-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C)on1 ZINC000977334483 744859733 /nfs/dbraw/zinc/85/97/33/744859733.db2.gz OOJOZTOQUKRMSD-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccnn3C)C2)C1=O ZINC001006901710 751958215 /nfs/dbraw/zinc/95/82/15/751958215.db2.gz XNHNTIIDKWBBAE-HIFRSBDPSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnn3C)C2)C1=O ZINC001006901710 751958219 /nfs/dbraw/zinc/95/82/19/751958219.db2.gz XNHNTIIDKWBBAE-HIFRSBDPSA-N 1 1 331.420 0.401 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nc1 ZINC000999860659 744954958 /nfs/dbraw/zinc/95/49/58/744954958.db2.gz VSBNNNCMAXUPDZ-ZDUSSCGKSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000977445590 744999427 /nfs/dbraw/zinc/99/94/27/744999427.db2.gz IMAABOILRZMHOX-CQSZACIVSA-N 1 1 347.463 0.784 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC000999896654 745030843 /nfs/dbraw/zinc/03/08/43/745030843.db2.gz VAIRFAYJONVKGJ-UHFFFAOYSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(=O)[nH]n3)nn2)C1 ZINC000999950066 745087716 /nfs/dbraw/zinc/08/77/16/745087716.db2.gz LPPCXHOHGUEWHT-LBPRGKRZSA-N 1 1 329.364 0.137 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnns3)nn2)C1 ZINC000999958234 745098986 /nfs/dbraw/zinc/09/89/86/745098986.db2.gz YHDBPGJJOYEKHF-LBPRGKRZSA-N 1 1 333.421 0.883 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC(=O)N3)nn2)C1 ZINC000999961118 745102953 /nfs/dbraw/zinc/10/29/53/745102953.db2.gz HBBKZJMUFQVXGL-HUUCEWRRSA-N 1 1 346.435 0.386 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 ZINC000999962882 745105924 /nfs/dbraw/zinc/10/59/24/745105924.db2.gz NMTPNCAMVBFRKK-TZMCWYRMSA-N 1 1 339.827 0.930 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 ZINC000999962882 745105926 /nfs/dbraw/zinc/10/59/26/745105926.db2.gz NMTPNCAMVBFRKK-TZMCWYRMSA-N 1 1 339.827 0.930 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCNC3=O)CC2(C)C)cn1 ZINC000977520985 745109869 /nfs/dbraw/zinc/10/98/69/745109869.db2.gz CYHBNGOQCCJDBG-CABCVRRESA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)cn1 ZINC000977520985 745109872 /nfs/dbraw/zinc/10/98/72/745109872.db2.gz CYHBNGOQCCJDBG-CABCVRRESA-N 1 1 326.400 0.392 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccncc3F)nn2)C1 ZINC000999970748 745118553 /nfs/dbraw/zinc/11/85/53/745118553.db2.gz IZVVPYWXLNYNAA-ZDUSSCGKSA-N 1 1 328.351 0.622 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 ZINC000999975157 745123771 /nfs/dbraw/zinc/12/37/71/745123771.db2.gz PFIVXCOFJKEIEW-AWEZNQCLSA-N 1 1 325.376 0.841 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 ZINC000999977093 745126429 /nfs/dbraw/zinc/12/64/29/745126429.db2.gz ACBQKSCKPFPOTD-AWEZNQCLSA-N 1 1 327.392 0.212 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(=O)n(C)o3)nn2)C1 ZINC000999986449 745140222 /nfs/dbraw/zinc/14/02/22/745140222.db2.gz SNFPWUOAFKYXSN-CYBMUJFWSA-N 1 1 346.391 0.323 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc4cccn4cn3)nn2)C1 ZINC000999990503 745147123 /nfs/dbraw/zinc/14/71/23/745147123.db2.gz IUWZKXZXAHSPGD-MRXNPFEDSA-N 1 1 349.398 0.736 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(CC)n3)nn2)C1 ZINC000999993990 745152969 /nfs/dbraw/zinc/15/29/69/745152969.db2.gz YNZWKVDCWPOKNF-CQSZACIVSA-N 1 1 342.407 0.090 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn4c3CCC4)nn2)C1 ZINC000999994588 745153907 /nfs/dbraw/zinc/15/39/07/745153907.db2.gz YZZQJPOJBCABHS-CQSZACIVSA-N 1 1 341.419 0.784 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3coc(OC)n3)nn2)C1 ZINC001000000515 745162540 /nfs/dbraw/zinc/16/25/40/745162540.db2.gz JXFRFNDNSHRMBL-GFCCVEGCSA-N 1 1 332.364 0.638 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc4[nH]ccc4n3)nn2)C1 ZINC001000002617 745166540 /nfs/dbraw/zinc/16/65/40/745166540.db2.gz KPVDFYDSUPHTQQ-CQSZACIVSA-N 1 1 349.398 0.964 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]nc3CC)nn2)C1 ZINC001000004902 745171392 /nfs/dbraw/zinc/17/13/92/745171392.db2.gz WSRVJVAJLXEHBD-CYBMUJFWSA-N 1 1 329.408 0.926 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(CCF)c3)nn2)C1 ZINC001000004988 745172517 /nfs/dbraw/zinc/17/25/17/745172517.db2.gz XKJKUUZWJOYFAO-HNNXBMFYSA-N 1 1 347.398 0.807 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)cnn3C)nn2)C1 ZINC001000011916 745181082 /nfs/dbraw/zinc/18/10/82/745181082.db2.gz BXXLGZZDGGIKAF-AWEZNQCLSA-N 1 1 327.392 0.130 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3conc3C)nn2)C1 ZINC001000013367 745182503 /nfs/dbraw/zinc/18/25/03/745182503.db2.gz HVUYVCNKUIZLJS-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3CC)nn2)C1 ZINC001000013708 745182878 /nfs/dbraw/zinc/18/28/78/745182878.db2.gz IRTSXEJPSTWMMN-ZACQAIPSSA-N 1 1 345.447 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C(F)F)n[nH]3)nn2)C1 ZINC001000025163 745195913 /nfs/dbraw/zinc/19/59/13/745195913.db2.gz OVXOGDXGJBUJNQ-LLVKDONJSA-N 1 1 349.345 0.749 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C4CC4)no3)nn2)C1 ZINC001000025380 745196790 /nfs/dbraw/zinc/19/67/90/745196790.db2.gz PCMXDGAVVNNKFQ-CQSZACIVSA-N 1 1 340.387 0.954 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)nc3Cl)nn2)C1 ZINC001000032541 745207024 /nfs/dbraw/zinc/20/70/24/745207024.db2.gz DDIOJUOBEYYVBA-GFCCVEGCSA-N 1 1 347.810 0.475 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3OC)nn2)C1 ZINC001000033867 745208239 /nfs/dbraw/zinc/20/82/39/745208239.db2.gz GNFYQTKHHNDPFC-CYBMUJFWSA-N 1 1 345.407 0.383 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]cnc3CC)nn2)C1 ZINC001000041304 745220171 /nfs/dbraw/zinc/22/01/71/745220171.db2.gz ADVYWCDSAHPFDI-CYBMUJFWSA-N 1 1 329.408 0.926 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC(=O)N3C)nn2)C1 ZINC001000043375 745223938 /nfs/dbraw/zinc/22/39/38/745223938.db2.gz KERCQXLGIRUNEQ-LSDHHAIUSA-N 1 1 346.435 0.338 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(=O)[nH]c3)nn2)C1 ZINC001000045190 745226495 /nfs/dbraw/zinc/22/64/95/745226495.db2.gz ODTNZSFEYGPLOV-AWEZNQCLSA-N 1 1 326.360 0.189 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000977587124 745247791 /nfs/dbraw/zinc/24/77/91/745247791.db2.gz XLLQVJAKRMGYPT-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)C1=CCOCC1 ZINC000977604771 745256114 /nfs/dbraw/zinc/25/61/14/745256114.db2.gz VCDAHIQTNURZEB-IRXDYDNUSA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)C1=CCOCC1 ZINC000977604771 745256117 /nfs/dbraw/zinc/25/61/17/745256117.db2.gz VCDAHIQTNURZEB-IRXDYDNUSA-N 1 1 345.443 0.490 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087497306 745256170 /nfs/dbraw/zinc/25/61/70/745256170.db2.gz HARWMPWKXVKXNF-UONOGXRCSA-N 1 1 345.432 0.776 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001075780045 745315265 /nfs/dbraw/zinc/31/52/65/745315265.db2.gz AFMXGUWYJVBRNJ-DLBZAZTESA-N 1 1 327.432 0.841 20 30 ECEDMO CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001000202012 745341764 /nfs/dbraw/zinc/34/17/64/745341764.db2.gz JAMQQTTXEHDWKX-CQSZACIVSA-N 1 1 338.473 0.805 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027552926 745414943 /nfs/dbraw/zinc/41/49/43/745414943.db2.gz KVEXZRDODKWEIS-CQSZACIVSA-N 1 1 330.388 0.475 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027552926 745414947 /nfs/dbraw/zinc/41/49/47/745414947.db2.gz KVEXZRDODKWEIS-CQSZACIVSA-N 1 1 330.388 0.475 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000342829 745440767 /nfs/dbraw/zinc/44/07/67/745440767.db2.gz PPRJRLDAEXFOGO-XYPHTWIQSA-N 1 1 340.427 0.818 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@H]3CCCO3)CC2)C1=O ZINC001000413084 745482513 /nfs/dbraw/zinc/48/25/13/745482513.db2.gz QNMXZHAEBMWIOQ-JKSUJKDBSA-N 1 1 333.432 0.701 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn([C@H]4CCOC4)nc3C)[C@@H]2C1 ZINC001075791584 745488538 /nfs/dbraw/zinc/48/85/38/745488538.db2.gz VGZMOZHGFGYLQZ-YQQAZPJKSA-N 1 1 328.416 0.932 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(CC)no3)C2)nn1 ZINC001020713991 752016829 /nfs/dbraw/zinc/01/68/29/752016829.db2.gz KRHOKZXWSUCNTN-HAQNSBGRSA-N 1 1 345.407 0.850 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CCC[C@H]1C)c1cnc(C#N)cn1 ZINC001126513644 745551850 /nfs/dbraw/zinc/55/18/50/745551850.db2.gz TUINDHGFVDNTFC-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001006968096 752016682 /nfs/dbraw/zinc/01/66/82/752016682.db2.gz XAPYTWIADURHRV-HZPDHXFCSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001006968096 752016691 /nfs/dbraw/zinc/01/66/91/752016691.db2.gz XAPYTWIADURHRV-HZPDHXFCSA-N 1 1 345.447 0.884 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC001000594213 745623206 /nfs/dbraw/zinc/62/32/06/745623206.db2.gz NDRDIGYPCQEGJL-MRXNPFEDSA-N 1 1 341.415 0.869 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC001000594465 745624273 /nfs/dbraw/zinc/62/42/73/745624273.db2.gz PSANYLZZUOMWHK-INIZCTEOSA-N 1 1 341.415 0.869 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@@H+](CCn3cncn3)CC2)c[nH]1 ZINC001000600258 745626581 /nfs/dbraw/zinc/62/65/81/745626581.db2.gz SESLSKRKXUXRRG-UHFFFAOYSA-N 1 1 325.376 0.540 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CCC([C@H]2[N@@H+](CC#C)CC23CCC3)CC1 ZINC001105391313 745627059 /nfs/dbraw/zinc/62/70/59/745627059.db2.gz BOSLHYWUQIHERT-LJQANCHMSA-N 1 1 341.455 0.852 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(C#N)nn1 ZINC001126517890 745645119 /nfs/dbraw/zinc/64/51/19/745645119.db2.gz MLBXBGDEIJGUJA-CQSZACIVSA-N 1 1 346.435 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CCCO1 ZINC000977918256 745645327 /nfs/dbraw/zinc/64/53/27/745645327.db2.gz LIFDIKDCXWOFPG-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CCCO1 ZINC000977918256 745645328 /nfs/dbraw/zinc/64/53/28/745645328.db2.gz LIFDIKDCXWOFPG-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cncn1C ZINC000977919084 745646419 /nfs/dbraw/zinc/64/64/19/745646419.db2.gz MEZAUOGPNXLCSK-GJZGRUSLSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cncn1C ZINC000977919084 745646422 /nfs/dbraw/zinc/64/64/22/745646422.db2.gz MEZAUOGPNXLCSK-GJZGRUSLSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1ncc[nH]1 ZINC000977921842 745651587 /nfs/dbraw/zinc/65/15/87/745651587.db2.gz VFUAUCWQCDBHID-GJZGRUSLSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1ncc[nH]1 ZINC000977921842 745651589 /nfs/dbraw/zinc/65/15/89/745651589.db2.gz VFUAUCWQCDBHID-GJZGRUSLSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ocnc1C ZINC000977923174 745653527 /nfs/dbraw/zinc/65/35/27/745653527.db2.gz AQHICLMOLWSQLW-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ocnc1C ZINC000977923174 745653531 /nfs/dbraw/zinc/65/35/31/745653531.db2.gz AQHICLMOLWSQLW-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)NC2CC2)cn1 ZINC001028271080 752029306 /nfs/dbraw/zinc/02/93/06/752029306.db2.gz YBKICVYHKVVFBC-SUMWQHHRSA-N 1 1 340.427 0.924 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCN(C)C2=O)CC1 ZINC001000702651 745709942 /nfs/dbraw/zinc/70/99/42/745709942.db2.gz VZPZOZBFADDBJX-IKGGRYGDSA-N 1 1 347.459 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC2CC2)cn1 ZINC001028271080 752029313 /nfs/dbraw/zinc/02/93/13/752029313.db2.gz YBKICVYHKVVFBC-SUMWQHHRSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCn2cncn2)CC1 ZINC001000787378 745763758 /nfs/dbraw/zinc/76/37/58/745763758.db2.gz GBRNPGSGFKORFI-KRWDZBQOSA-N 1 1 342.447 0.124 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001006994283 752032144 /nfs/dbraw/zinc/03/21/44/752032144.db2.gz OHFJNESHOUPJIO-HUUCEWRRSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001006994283 752032148 /nfs/dbraw/zinc/03/21/48/752032148.db2.gz OHFJNESHOUPJIO-HUUCEWRRSA-N 1 1 331.420 0.320 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001000861430 745835671 /nfs/dbraw/zinc/83/56/71/745835671.db2.gz ZWKQSQPUSBWHAL-CQSZACIVSA-N 1 1 331.420 0.871 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001000926630 745906127 /nfs/dbraw/zinc/90/61/27/745906127.db2.gz IALQSNJXZZDBGY-UHFFFAOYSA-N 1 1 346.431 0.828 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001000934309 745911835 /nfs/dbraw/zinc/91/18/35/745911835.db2.gz LUWXVUDOKBYCCF-CVEARBPZSA-N 1 1 334.464 0.450 20 30 ECEDMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)nn1 ZINC000978117741 745927790 /nfs/dbraw/zinc/92/77/90/745927790.db2.gz MPMPBDMRUWQLBT-PHZGNYQRSA-N 1 1 336.399 0.795 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCS3(=O)=O)[C@@H]2C1 ZINC000978248281 746080123 /nfs/dbraw/zinc/08/01/23/746080123.db2.gz KQMXXSGUEHWGHK-APIJFGDWSA-N 1 1 326.462 0.824 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC000978250809 746083788 /nfs/dbraw/zinc/08/37/88/746083788.db2.gz XDTRPYUXVVKAFB-FPCVCCKLSA-N 1 1 335.448 0.351 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3[nH]c(C)c(C(N)=O)c3CC)[C@@H]2C1 ZINC000978254934 746124906 /nfs/dbraw/zinc/12/49/06/746124906.db2.gz KJBQBVXUEVNHIV-QKDCVEJESA-N 1 1 342.443 0.915 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1CC ZINC001087628190 746129856 /nfs/dbraw/zinc/12/98/56/746129856.db2.gz GUMOCLYQHZCRSW-QWHCGFSZSA-N 1 1 339.417 0.533 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001001180415 746142599 /nfs/dbraw/zinc/14/25/99/746142599.db2.gz YJIQMVZKCNCYCW-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001001180415 746142602 /nfs/dbraw/zinc/14/26/02/746142602.db2.gz YJIQMVZKCNCYCW-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1CC ZINC001087644883 746142719 /nfs/dbraw/zinc/14/27/19/746142719.db2.gz WNRYINZPWCWVCT-JKSUJKDBSA-N 1 1 332.448 0.977 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1CC ZINC001087644883 746142723 /nfs/dbraw/zinc/14/27/23/746142723.db2.gz WNRYINZPWCWVCT-JKSUJKDBSA-N 1 1 332.448 0.977 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001059349547 746149401 /nfs/dbraw/zinc/14/94/01/746149401.db2.gz JPVPMGSJRXOWAT-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001001217944 746171506 /nfs/dbraw/zinc/17/15/06/746171506.db2.gz HPMDFGFAZAPUBY-KRWDZBQOSA-N 1 1 325.412 0.950 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001001223370 746179950 /nfs/dbraw/zinc/17/99/50/746179950.db2.gz TXTXERSZAKGBSZ-GOSISDBHSA-N 1 1 339.439 0.879 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001001227534 746185378 /nfs/dbraw/zinc/18/53/78/746185378.db2.gz QMYUXODDBBQDGG-HNNXBMFYSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]cc1F ZINC000978328908 746186531 /nfs/dbraw/zinc/18/65/31/746186531.db2.gz AFQPKYCZRZIBQQ-OCCSQVGLSA-N 1 1 347.394 0.319 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]cc1F ZINC000978328908 746186533 /nfs/dbraw/zinc/18/65/33/746186533.db2.gz AFQPKYCZRZIBQQ-OCCSQVGLSA-N 1 1 347.394 0.319 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H]3CCNC3=O)C2)nn1 ZINC001027611876 746205249 /nfs/dbraw/zinc/20/52/49/746205249.db2.gz XIRDOIBRUUTMDB-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC001001263248 746223048 /nfs/dbraw/zinc/22/30/48/746223048.db2.gz IVWGKJNZCWBSSD-IRXDYDNUSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3ccncn3)CC2)C1=O ZINC001001283045 746242573 /nfs/dbraw/zinc/24/25/73/746242573.db2.gz WBFZYGPXVVFYCG-INIZCTEOSA-N 1 1 341.415 0.625 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000978364464 746246672 /nfs/dbraw/zinc/24/66/72/746246672.db2.gz ZMZFVSMFCQCASV-RDJZCZTQSA-N 1 1 340.427 0.688 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)[C@@H]1CC ZINC001087729789 746255338 /nfs/dbraw/zinc/25/53/38/746255338.db2.gz XAAPDJBIJQPMQL-QXSJWSMHSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@H]1CC ZINC001087734278 746260348 /nfs/dbraw/zinc/26/03/48/746260348.db2.gz VGALFSAVUIFTJD-QLFBSQMISA-N 1 1 330.436 0.618 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cn[nH]n4)[C@@H]3C2)c(F)c1 ZINC000978388197 746265700 /nfs/dbraw/zinc/26/57/00/746265700.db2.gz JCOCHOXSDZMJLY-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001001311268 746269159 /nfs/dbraw/zinc/26/91/59/746269159.db2.gz SQYODSRXHGAQNG-HNNXBMFYSA-N 1 1 329.404 0.310 20 30 ECEDMO C=CCOc1ccccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC000978387485 746285174 /nfs/dbraw/zinc/28/51/74/746285174.db2.gz JBUKKPVNGRSSDJ-PHZGNYQRSA-N 1 1 343.427 0.905 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1CC ZINC001087757143 746291171 /nfs/dbraw/zinc/29/11/71/746291171.db2.gz DQGAGWOSTQRCJB-LSDHHAIUSA-N 1 1 348.451 0.724 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001347865 746296486 /nfs/dbraw/zinc/29/64/86/746296486.db2.gz VIZLKQSDJAQPRQ-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC000978408918 746299683 /nfs/dbraw/zinc/29/96/83/746299683.db2.gz MMHFVLMCXJXHMK-ZQDZILKHSA-N 1 1 345.447 0.806 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ncccn3)C2)C1=O ZINC001027625735 746352257 /nfs/dbraw/zinc/35/22/57/746352257.db2.gz SBGLRZHPUNGOOW-LSDHHAIUSA-N 1 1 343.431 0.800 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC(=O)CC3)[C@@H]2C1 ZINC000978540360 746403100 /nfs/dbraw/zinc/40/31/00/746403100.db2.gz FDYDQPIJPKYRBS-XDQVBPFNSA-N 1 1 325.840 0.949 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3CC3CCC3)[C@@H]2C1 ZINC000978525097 746403984 /nfs/dbraw/zinc/40/39/84/746403984.db2.gz JAPRXKOXAPJJRP-FJIDUMEYSA-N 1 1 331.460 0.415 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)c(C)nn(C)c3=O)[C@@H]2C1 ZINC000978566869 746429935 /nfs/dbraw/zinc/42/99/35/746429935.db2.gz SNVRGEDRDVXGEI-QKDCVEJESA-N 1 1 330.432 0.881 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3nonc3C)CC2)C1=O ZINC001001494609 746432406 /nfs/dbraw/zinc/43/24/06/746432406.db2.gz SOJAQHMWTMNKJT-AWEZNQCLSA-N 1 1 345.403 0.527 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)c(C)nn(C)c3=O)[C@@H]2C1 ZINC000978561157 746442606 /nfs/dbraw/zinc/44/26/06/746442606.db2.gz HBZGHNPORISZME-QKDCVEJESA-N 1 1 328.416 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(F)cn2)C1 ZINC001001520547 746458059 /nfs/dbraw/zinc/45/80/59/746458059.db2.gz JUDLMYSWMHHNFA-INIZCTEOSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(F)cn2)C1 ZINC001001520547 746458064 /nfs/dbraw/zinc/45/80/64/746458064.db2.gz JUDLMYSWMHHNFA-INIZCTEOSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3C3CCCC3)[C@@H]2C1 ZINC000978628604 746500642 /nfs/dbraw/zinc/50/06/42/746500642.db2.gz OTZAERHJKKVFNN-ZJPYXAASSA-N 1 1 331.460 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@H]2CCCN(C(=O)C3CCC3)C2)C1=O ZINC001087853173 746504926 /nfs/dbraw/zinc/50/49/26/746504926.db2.gz BKYHERXEPOUEQT-DLBZAZTESA-N 1 1 349.475 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1ncccn1 ZINC001126555951 746523276 /nfs/dbraw/zinc/52/32/76/746523276.db2.gz XPESQIRJJQOLOO-HNNXBMFYSA-N 1 1 331.420 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1ncccn1 ZINC001126555951 746523279 /nfs/dbraw/zinc/52/32/79/746523279.db2.gz XPESQIRJJQOLOO-HNNXBMFYSA-N 1 1 331.420 0.143 20 30 ECEDMO CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1)C1CCC1 ZINC001083418762 746523832 /nfs/dbraw/zinc/52/38/32/746523832.db2.gz ZENXYFYNIQOOES-OWCLPIDISA-N 1 1 332.404 0.476 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cnnn3C)C2)nc1 ZINC001027656037 746594170 /nfs/dbraw/zinc/59/41/70/746594170.db2.gz IXGAZLBHOVUKTO-OAHLLOKOSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cnnn3C)C2)nc1 ZINC001027656037 746594174 /nfs/dbraw/zinc/59/41/74/746594174.db2.gz IXGAZLBHOVUKTO-OAHLLOKOSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cnnn3C)C2)cn1 ZINC001027656595 746599222 /nfs/dbraw/zinc/59/92/22/746599222.db2.gz UKVLZHFHTVOIKS-MRXNPFEDSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cnnn3C)C2)cn1 ZINC001027656595 746599224 /nfs/dbraw/zinc/59/92/24/746599224.db2.gz UKVLZHFHTVOIKS-MRXNPFEDSA-N 1 1 338.415 0.928 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)C1=O ZINC001087938945 746688514 /nfs/dbraw/zinc/68/85/14/746688514.db2.gz SELORHWSXNNHDZ-WWGRRREGSA-N 1 1 341.415 0.511 20 30 ECEDMO C=C(Br)C[NH+]1CCC(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001782431 746719035 /nfs/dbraw/zinc/71/90/35/746719035.db2.gz LPJYKGMSCXRCNJ-NSHDSACASA-N 1 1 345.241 0.405 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027673593 746738540 /nfs/dbraw/zinc/73/85/40/746738540.db2.gz LZRINTYOOBMCBU-LBPRGKRZSA-N 1 1 327.812 0.811 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027673593 746738541 /nfs/dbraw/zinc/73/85/41/746738541.db2.gz LZRINTYOOBMCBU-LBPRGKRZSA-N 1 1 327.812 0.811 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001087961725 746746232 /nfs/dbraw/zinc/74/62/32/746746232.db2.gz HLENCYMTPSPCND-CVEARBPZSA-N 1 1 330.432 0.205 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ncc[nH]4)C[C@@H]3C2)C1=O ZINC001087960191 746748194 /nfs/dbraw/zinc/74/81/94/746748194.db2.gz ICCYDQSEPXPAJQ-ILXRZTDVSA-N 1 1 343.431 0.591 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000978828873 746757833 /nfs/dbraw/zinc/75/78/33/746757833.db2.gz NHYYODIGSIRGTN-FDPKGLCPSA-N 1 1 347.459 0.540 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001007144725 752121438 /nfs/dbraw/zinc/12/14/38/752121438.db2.gz UQFSBEZBMXJHDU-HNNXBMFYSA-N 1 1 341.419 0.989 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007150122 752129066 /nfs/dbraw/zinc/12/90/66/752129066.db2.gz GJPBDLAWNJUYNC-ZBFHGGJFSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007150122 752129075 /nfs/dbraw/zinc/12/90/75/752129075.db2.gz GJPBDLAWNJUYNC-ZBFHGGJFSA-N 1 1 341.415 0.867 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](N(C)[C@H]3CCNC3=O)C2)CC1 ZINC001027694235 746860408 /nfs/dbraw/zinc/86/04/08/746860408.db2.gz UZYSMLRQEKSSOH-IRXDYDNUSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC000978894417 746876107 /nfs/dbraw/zinc/87/61/07/746876107.db2.gz SHBDZWVDHBOPQU-NAHJCDBISA-N 1 1 345.443 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC000978894417 746876112 /nfs/dbraw/zinc/87/61/12/746876112.db2.gz SHBDZWVDHBOPQU-NAHJCDBISA-N 1 1 345.443 0.132 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)[nH]1 ZINC001007151862 752131087 /nfs/dbraw/zinc/13/10/87/752131087.db2.gz KYRPLXYRZMTIJS-CYBMUJFWSA-N 1 1 330.392 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000978951942 746944550 /nfs/dbraw/zinc/94/45/50/746944550.db2.gz DTKLRNBYCCQRCB-LZWOXQAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000978951942 746944554 /nfs/dbraw/zinc/94/45/54/746944554.db2.gz DTKLRNBYCCQRCB-LZWOXQAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2nccs2)C1 ZINC000978951932 746944606 /nfs/dbraw/zinc/94/46/06/746944606.db2.gz DQEKKDBUBMIYEE-MJBXVCDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2nccs2)C1 ZINC000978951932 746944610 /nfs/dbraw/zinc/94/46/10/746944610.db2.gz DQEKKDBUBMIYEE-MJBXVCDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1 ZINC001087994156 746948364 /nfs/dbraw/zinc/94/83/64/746948364.db2.gz UDHHQGIEQYJWCK-OWCLPIDISA-N 1 1 330.436 0.117 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@@H]2C1 ZINC001087996673 746973213 /nfs/dbraw/zinc/97/32/13/746973213.db2.gz IRCJJUYRNAGJPV-RVKKMQEKSA-N 1 1 337.423 0.927 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2nonc2C)C1 ZINC000978976239 746983422 /nfs/dbraw/zinc/98/34/22/746983422.db2.gz JLQIZAFKRVAFRK-MJBXVCDLSA-N 1 1 345.403 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2nonc2C)C1 ZINC000978976239 746983427 /nfs/dbraw/zinc/98/34/27/746983427.db2.gz JLQIZAFKRVAFRK-MJBXVCDLSA-N 1 1 345.403 0.100 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)CCN(C)c1nc(C)cc(C#N)n1 ZINC001105405083 747005349 /nfs/dbraw/zinc/00/53/49/747005349.db2.gz KCHFSVVHUKRPED-UHFFFAOYSA-N 1 1 327.392 0.756 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2CCN([C@@H]3CCNC3=O)CC2)CC1 ZINC001002145487 747024171 /nfs/dbraw/zinc/02/41/71/747024171.db2.gz QMLIVHSZIAKCSP-QGZVFWFLSA-N 1 1 346.475 0.048 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001002169887 747049269 /nfs/dbraw/zinc/04/92/69/747049269.db2.gz NEFCMWLVRXNPBD-IAGOWNOFSA-N 1 1 329.444 0.991 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]2C1 ZINC001088018150 747072987 /nfs/dbraw/zinc/07/29/87/747072987.db2.gz JJLGCWITPWRHTM-CABCVRRESA-N 1 1 326.462 0.778 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002201582 747078238 /nfs/dbraw/zinc/07/82/38/747078238.db2.gz QEBYZAPNYOGPDD-SIXLDLHFSA-N 1 1 349.475 0.882 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc(C)o3)C2)nn1 ZINC000984902686 747082676 /nfs/dbraw/zinc/08/26/76/747082676.db2.gz PXOIICHOXZZOHK-HAQNSBGRSA-N 1 1 331.380 0.454 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001002234245 747109962 /nfs/dbraw/zinc/10/99/62/747109962.db2.gz QUMPBIJOOKFARL-XHSDSOJGSA-N 1 1 335.448 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CCN(C(=O)[C@H](C)OC)CC1 ZINC000988468390 752155365 /nfs/dbraw/zinc/15/53/65/752155365.db2.gz GCVAADHOAUBLJW-RDJZCZTQSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CCN(C(=O)[C@H](C)OC)CC1 ZINC000988468390 752155367 /nfs/dbraw/zinc/15/53/67/752155367.db2.gz GCVAADHOAUBLJW-RDJZCZTQSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)C[C@@H]2C1 ZINC001088064213 747183243 /nfs/dbraw/zinc/18/32/43/747183243.db2.gz RXIJSFLKMVDZDF-CVEARBPZSA-N 1 1 342.447 0.746 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nnc(C)n4C3)[C@@H]2C1 ZINC000979105499 747186688 /nfs/dbraw/zinc/18/66/88/747186688.db2.gz SKJSSMCLQNBWQY-FPCVCCKLSA-N 1 1 327.432 0.466 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001088067082 747189550 /nfs/dbraw/zinc/18/95/50/747189550.db2.gz NMKXGQGYPMLHAC-HZSPNIEDSA-N 1 1 333.432 0.784 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001002339443 747230506 /nfs/dbraw/zinc/23/05/06/747230506.db2.gz RNHIMXZAIGMXBS-HUUCEWRRSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(C)(C)O)[C@@H]1CC ZINC000985047124 747300034 /nfs/dbraw/zinc/30/00/34/747300034.db2.gz FPCFQPUJUVCYRH-XHSDSOJGSA-N 1 1 349.475 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(C)(C)O)[C@@H]1CC ZINC000985047124 747300038 /nfs/dbraw/zinc/30/00/38/747300038.db2.gz FPCFQPUJUVCYRH-XHSDSOJGSA-N 1 1 349.475 0.741 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001002411234 747316734 /nfs/dbraw/zinc/31/67/34/747316734.db2.gz ZSSRSBPPUPQYDA-CABCVRRESA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@@H]2C1 ZINC001088107428 747399121 /nfs/dbraw/zinc/39/91/21/747399121.db2.gz WVIKMPKZJVXCOF-CABCVRRESA-N 1 1 342.443 0.550 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001002485989 747420972 /nfs/dbraw/zinc/42/09/72/747420972.db2.gz MFGQKTJFHSGIQU-HOTGVXAUSA-N 1 1 333.432 0.180 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001002485989 747420980 /nfs/dbraw/zinc/42/09/80/747420980.db2.gz MFGQKTJFHSGIQU-HOTGVXAUSA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]2C1 ZINC001088138719 747477777 /nfs/dbraw/zinc/47/77/77/747477777.db2.gz ZGLIEPSJXBTLAQ-HIFRSBDPSA-N 1 1 339.399 0.852 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)cn1 ZINC001029558826 747505918 /nfs/dbraw/zinc/50/59/18/747505918.db2.gz XMGKRKSZNPRGLY-BBWFWOEESA-N 1 1 338.411 0.630 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N4CCOCC4)CCC3)C[C@@H]2C1 ZINC001088156363 747549912 /nfs/dbraw/zinc/54/99/12/747549912.db2.gz JICHKRWVROYZHC-SJORKVTESA-N 1 1 331.460 0.655 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]2C1 ZINC001088169524 747583825 /nfs/dbraw/zinc/58/38/25/747583825.db2.gz ZTABNPDPVGKUDU-NEPJUHHUSA-N 1 1 346.387 0.314 20 30 ECEDMO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979328512 747621542 /nfs/dbraw/zinc/62/15/42/747621542.db2.gz HOYHSZUNOMNQNZ-SWLSCSKDSA-N 1 1 343.431 0.801 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C(=O)NC)n3)C[C@@H]2C1 ZINC001088186080 747703900 /nfs/dbraw/zinc/70/39/00/747703900.db2.gz GPANTSBYRFRFBN-CABCVRRESA-N 1 1 340.427 0.858 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 ZINC001088231576 747791562 /nfs/dbraw/zinc/79/15/62/747791562.db2.gz VHQKRKDLMYZQQG-ROUUACIJSA-N 1 1 349.475 0.280 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001088235173 747814855 /nfs/dbraw/zinc/81/48/55/747814855.db2.gz LWUDDWFHGOWUIO-HNNXBMFYSA-N 1 1 331.420 0.771 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)Cn3ncnn3)CC2)cc1F ZINC001002824436 747834865 /nfs/dbraw/zinc/83/48/65/747834865.db2.gz RWPNAOAOFDNTCF-UHFFFAOYSA-N 1 1 343.366 0.465 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccnc(C)c2)C1 ZINC001002828019 747842454 /nfs/dbraw/zinc/84/24/54/747842454.db2.gz ZXYGLRFPOMHJIP-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccnc(C)c2)C1 ZINC001002828019 747842459 /nfs/dbraw/zinc/84/24/59/747842459.db2.gz ZXYGLRFPOMHJIP-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ncccc2C)C1 ZINC001002830814 747848986 /nfs/dbraw/zinc/84/89/86/747848986.db2.gz WALTZSOCYYXQJT-INIZCTEOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ncccc2C)C1 ZINC001002830814 747848995 /nfs/dbraw/zinc/84/89/95/747848995.db2.gz WALTZSOCYYXQJT-INIZCTEOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCc2cn[nH]c2)C1 ZINC001002834730 747855630 /nfs/dbraw/zinc/85/56/30/747855630.db2.gz IAUHITYBMQQJBB-INIZCTEOSA-N 1 1 343.431 0.015 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCc2cn[nH]c2)C1 ZINC001002834730 747855638 /nfs/dbraw/zinc/85/56/38/747855638.db2.gz IAUHITYBMQQJBB-INIZCTEOSA-N 1 1 343.431 0.015 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000988500931 752219407 /nfs/dbraw/zinc/21/94/07/752219407.db2.gz LPWMBQMCFQJIAG-JQWIXIFHSA-N 1 1 340.391 0.601 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001088239504 747878503 /nfs/dbraw/zinc/87/85/03/747878503.db2.gz XTIRTWXFPXHSLJ-MRXNPFEDSA-N 1 1 345.447 0.782 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(CO[C@H]3CCN(CC#N)C3)CC2)C1 ZINC001088240288 747937734 /nfs/dbraw/zinc/93/77/34/747937734.db2.gz UNDBZIUGSAFMHX-SJORKVTESA-N 1 1 334.464 0.791 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001088240424 747939410 /nfs/dbraw/zinc/93/94/10/747939410.db2.gz YORHTFDRRGHPFS-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+]2C[C@@H]2CCNC(=O)CC2)c1 ZINC001027814993 748018153 /nfs/dbraw/zinc/01/81/53/748018153.db2.gz SRUJOQFAPAZSDN-DZGCQCFKSA-N 1 1 343.431 0.997 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2C[C@@H]2CCNC(=O)CC2)c1 ZINC001027815003 748019246 /nfs/dbraw/zinc/01/92/46/748019246.db2.gz SRUJOQFAPAZSDN-ZFWWWQNUSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cocn3)C2)C1=O ZINC001029674143 748031014 /nfs/dbraw/zinc/03/10/14/748031014.db2.gz CWOVXTPPCWKSBJ-DZGCQCFKSA-N 1 1 332.404 0.855 20 30 ECEDMO COc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CC(N)=O)C2)cc1C#N ZINC001029682138 748044870 /nfs/dbraw/zinc/04/48/70/748044870.db2.gz RZYBUTUKJIMFIM-CQSZACIVSA-N 1 1 344.415 0.723 20 30 ECEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029684491 748056409 /nfs/dbraw/zinc/05/64/09/748056409.db2.gz WGDXWDHUXPYZOX-LBPRGKRZSA-N 1 1 332.379 0.853 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029708061 748110553 /nfs/dbraw/zinc/11/05/53/748110553.db2.gz KOMRKDKXASVQTQ-RYUDHWBXSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029708061 748110561 /nfs/dbraw/zinc/11/05/61/748110561.db2.gz KOMRKDKXASVQTQ-RYUDHWBXSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029708060 748110812 /nfs/dbraw/zinc/11/08/12/748110812.db2.gz KOMRKDKXASVQTQ-NWDGAFQWSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029708060 748110815 /nfs/dbraw/zinc/11/08/15/748110815.db2.gz KOMRKDKXASVQTQ-NWDGAFQWSA-N 1 1 342.407 0.565 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc[nH]c(=O)c2)C1=O ZINC001027822274 748119996 /nfs/dbraw/zinc/11/99/96/748119996.db2.gz CGCXIUQSOHWJAQ-CABCVRRESA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2[nH]cnc2CC)C1=O ZINC001028290074 752241251 /nfs/dbraw/zinc/24/12/51/752241251.db2.gz NZMFZFDUMIHXPB-ZFWWWQNUSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2[nH]cnc2CC)C1=O ZINC001028290074 752241257 /nfs/dbraw/zinc/24/12/57/752241257.db2.gz NZMFZFDUMIHXPB-ZFWWWQNUSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001003054883 748122968 /nfs/dbraw/zinc/12/29/68/748122968.db2.gz CAQWBRADSKABPC-BBRMVZONSA-N 1 1 344.463 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001003054883 748122974 /nfs/dbraw/zinc/12/29/74/748122974.db2.gz CAQWBRADSKABPC-BBRMVZONSA-N 1 1 344.463 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2ncccn2)CC1 ZINC001003055378 748123784 /nfs/dbraw/zinc/12/37/84/748123784.db2.gz GKWHCSCHCZIVEJ-INIZCTEOSA-N 1 1 327.432 0.655 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2ncccn2)CC1 ZINC001003055378 748123788 /nfs/dbraw/zinc/12/37/88/748123788.db2.gz GKWHCSCHCZIVEJ-INIZCTEOSA-N 1 1 327.432 0.655 20 30 ECEDMO Cn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001029712572 748124547 /nfs/dbraw/zinc/12/45/47/748124547.db2.gz VTIKJHZAIIVHTK-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001029712572 748124553 /nfs/dbraw/zinc/12/45/53/748124553.db2.gz VTIKJHZAIIVHTK-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001075855639 748161183 /nfs/dbraw/zinc/16/11/83/748161183.db2.gz MWGDJWBOVVBVAU-ARFHVFGLSA-N 1 1 333.432 0.037 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001029725379 748162159 /nfs/dbraw/zinc/16/21/59/748162159.db2.gz ZICDPFJAGYGZKH-CVEARBPZSA-N 1 1 342.399 0.947 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000979656709 748168048 /nfs/dbraw/zinc/16/80/48/748168048.db2.gz KTZJNZXEYZMBAD-UMVBOHGHSA-N 1 1 343.431 0.853 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000979666371 748187962 /nfs/dbraw/zinc/18/79/62/748187962.db2.gz TWLPDPFXNAZLPS-YDHLFZDLSA-N 1 1 343.431 0.853 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001027828335 748227934 /nfs/dbraw/zinc/22/79/34/748227934.db2.gz JKDDLPLYXUGXIP-RBUKOAKNSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001027828335 748227947 /nfs/dbraw/zinc/22/79/47/748227947.db2.gz JKDDLPLYXUGXIP-RBUKOAKNSA-N 1 1 341.455 0.949 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)CCCn3cc[nH+]c3C)C2)nn1 ZINC001105344097 748262448 /nfs/dbraw/zinc/26/24/48/748262448.db2.gz MIXQUSRZEDLSKE-UHFFFAOYSA-N 1 1 341.419 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nncs2)C1 ZINC001029757766 748268617 /nfs/dbraw/zinc/26/86/17/748268617.db2.gz GXCLLKFVPMNQCI-GJZGRUSLSA-N 1 1 347.488 0.916 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nncs2)C1 ZINC001029757766 748268621 /nfs/dbraw/zinc/26/86/21/748268621.db2.gz GXCLLKFVPMNQCI-GJZGRUSLSA-N 1 1 347.488 0.916 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(CCOC)nn3)C[C@H]2C1 ZINC000979730568 748303859 /nfs/dbraw/zinc/30/38/59/748303859.db2.gz WSFBFGNUVHKMBT-SOUVJXGZSA-N 1 1 333.436 0.941 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027835451 748383653 /nfs/dbraw/zinc/38/36/53/748383653.db2.gz CROULDCOHHZFSG-GJZGRUSLSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cnc4n3CCOC4)C[C@H]2C1 ZINC000979799142 748415765 /nfs/dbraw/zinc/41/57/65/748415765.db2.gz YJSHWNFOIJDQJT-SOUVJXGZSA-N 1 1 328.416 0.877 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccc(C#N)cc3)C2)n1 ZINC001029806637 748504926 /nfs/dbraw/zinc/50/49/26/748504926.db2.gz OWYJFBJNQULQMG-OAHLLOKOSA-N 1 1 339.403 0.676 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 ZINC000979822100 748508803 /nfs/dbraw/zinc/50/88/03/748508803.db2.gz ZSTIJSNEFMQNRW-YESZJQIVSA-N 1 1 340.427 0.958 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC000985562383 748524443 /nfs/dbraw/zinc/52/44/43/748524443.db2.gz HXQZBRXYLLOOPB-UHFFFAOYSA-N 1 1 332.404 0.685 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC000985565963 748541320 /nfs/dbraw/zinc/54/13/20/748541320.db2.gz IFTWZBJZQSXNDN-UHFFFAOYSA-N 1 1 330.396 0.416 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000979857433 748561586 /nfs/dbraw/zinc/56/15/86/748561586.db2.gz BDFMGDKQXDQPKD-KWRZAIAESA-N 1 1 349.475 0.929 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nc1 ZINC001003468414 748585994 /nfs/dbraw/zinc/58/59/94/748585994.db2.gz QWFCVWYHENAGBM-CQSZACIVSA-N 1 1 340.427 0.735 20 30 ECEDMO Cn1nnc(C(=O)N2CCC([N@@H+](C)Cc3ccccc3C#N)CC2)n1 ZINC000985584805 748638492 /nfs/dbraw/zinc/63/84/92/748638492.db2.gz HUIPRCHMWCTHEE-UHFFFAOYSA-N 1 1 339.403 0.818 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCN(C)C3=O)C2)c1 ZINC001029835554 748669359 /nfs/dbraw/zinc/66/93/59/748669359.db2.gz SXNYVFCXKOXIGG-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC000979967139 748759048 /nfs/dbraw/zinc/75/90/48/748759048.db2.gz HIXAZNUFHWQFLK-VGWMRTNUSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC000979967139 748759052 /nfs/dbraw/zinc/75/90/52/748759052.db2.gz HIXAZNUFHWQFLK-VGWMRTNUSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnccn2)C1 ZINC000979967205 748759211 /nfs/dbraw/zinc/75/92/11/748759211.db2.gz INQTULOMDYTGOB-DZKIICNBSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnccn2)C1 ZINC000979967205 748759218 /nfs/dbraw/zinc/75/92/18/748759218.db2.gz INQTULOMDYTGOB-DZKIICNBSA-N 1 1 341.415 0.199 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC000985637456 748775734 /nfs/dbraw/zinc/77/57/34/748775734.db2.gz KAJFFAPGWCPSEQ-UHFFFAOYSA-N 1 1 341.437 0.170 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001087427926 748778404 /nfs/dbraw/zinc/77/84/04/748778404.db2.gz CWMMTCZBIIJQOF-IAGOWNOFSA-N 1 1 338.415 0.671 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001087427926 748778408 /nfs/dbraw/zinc/77/84/08/748778408.db2.gz CWMMTCZBIIJQOF-IAGOWNOFSA-N 1 1 338.415 0.671 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059610707 748798146 /nfs/dbraw/zinc/79/81/46/748798146.db2.gz LAIWJRYCMVAMQW-JKSUJKDBSA-N 1 1 335.448 0.331 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059610707 748798147 /nfs/dbraw/zinc/79/81/47/748798147.db2.gz LAIWJRYCMVAMQW-JKSUJKDBSA-N 1 1 335.448 0.331 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)c1 ZINC001027861634 748804803 /nfs/dbraw/zinc/80/48/03/748804803.db2.gz ZXBSWXDPFKJYOO-HIFRSBDPSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)c1 ZINC001027861634 748804809 /nfs/dbraw/zinc/80/48/09/748804809.db2.gz ZXBSWXDPFKJYOO-HIFRSBDPSA-N 1 1 346.362 0.886 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC(C)C)C2)C1 ZINC001059613295 748812806 /nfs/dbraw/zinc/81/28/06/748812806.db2.gz ZJFFEWIIYAWTQQ-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC(C)C)C2)C1 ZINC001059613295 748812810 /nfs/dbraw/zinc/81/28/10/748812810.db2.gz ZJFFEWIIYAWTQQ-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1 ZINC000985659763 748827899 /nfs/dbraw/zinc/82/78/99/748827899.db2.gz AUIJMJMQIQZWJZ-CVEARBPZSA-N 1 1 333.436 0.792 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c(C)cnn2C)C1 ZINC001003724567 748830233 /nfs/dbraw/zinc/83/02/33/748830233.db2.gz PISNJYIQHNONPD-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c(C)cnn2C)C1 ZINC001003724567 748830239 /nfs/dbraw/zinc/83/02/39/748830239.db2.gz PISNJYIQHNONPD-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO COc1ccc(C#N)cc1CN1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030156025 761894501 /nfs/dbraw/zinc/89/45/01/761894501.db2.gz SVTVCLUOSXJEGJ-INIZCTEOSA-N 1 1 328.416 0.961 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CSC)C[C@@H]2C1 ZINC000985692560 748874501 /nfs/dbraw/zinc/87/45/01/748874501.db2.gz CMQHBVUOHBTAHM-PMPSAXMXSA-N 1 1 349.500 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CSC)C[C@@H]2C1 ZINC000985692560 748874509 /nfs/dbraw/zinc/87/45/09/748874509.db2.gz CMQHBVUOHBTAHM-PMPSAXMXSA-N 1 1 349.500 0.754 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3ccncn3)CC2)C1=O ZINC000985708569 748916461 /nfs/dbraw/zinc/91/64/61/748916461.db2.gz HGJDZOFJYWVELO-INIZCTEOSA-N 1 1 343.431 0.800 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CS(=O)(=O)C3)C[C@H]2C1 ZINC000980085435 748943510 /nfs/dbraw/zinc/94/35/10/748943510.db2.gz NBTNCSGEYCCFAD-HRCADAONSA-N 1 1 338.473 0.661 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027879300 748977540 /nfs/dbraw/zinc/97/75/40/748977540.db2.gz PWVCHIJFJVONOY-KBPBESRZSA-N 1 1 331.420 0.919 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(N)=O)cn3C)C[C@H]2C1 ZINC000980165748 749100356 /nfs/dbraw/zinc/10/03/56/749100356.db2.gz PWWDKDKLEVJXQJ-OFQRWUPVSA-N 1 1 342.443 0.978 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980169546 749105002 /nfs/dbraw/zinc/10/50/02/749105002.db2.gz WZAAIEOVQPDLDX-XHSDSOJGSA-N 1 1 326.400 0.760 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001059649237 749117702 /nfs/dbraw/zinc/11/77/02/749117702.db2.gz SLEVUWHFFMZXEX-UPJWGTAASA-N 1 1 328.420 0.921 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 ZINC000980181245 749117763 /nfs/dbraw/zinc/11/77/63/749117763.db2.gz CKBWSFKVVXHWRD-NWANDNLSSA-N 1 1 331.416 0.279 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000985822206 749170142 /nfs/dbraw/zinc/17/01/42/749170142.db2.gz HKEYKGDMVSAVET-INIZCTEOSA-N 1 1 348.447 0.071 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C(=O)NC)nc3)C[C@H]2C1 ZINC000980206260 749182368 /nfs/dbraw/zinc/18/23/68/749182368.db2.gz GRCNUTPVCLTQHD-JYJNAYRXSA-N 1 1 340.427 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)nc1 ZINC000980206764 749183214 /nfs/dbraw/zinc/18/32/14/749183214.db2.gz IAOZEGKDGQYPOS-HRCADAONSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)CC1 ZINC000985826103 749184868 /nfs/dbraw/zinc/18/48/68/749184868.db2.gz VIAQSCQTVAYRFJ-OAHLLOKOSA-N 1 1 331.420 0.051 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H](C)C3CC3)CC2)CC1 ZINC000985828465 749191008 /nfs/dbraw/zinc/19/10/08/749191008.db2.gz GXQPDCHIFLQKAQ-MRXNPFEDSA-N 1 1 346.475 0.938 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC000980221835 749201311 /nfs/dbraw/zinc/20/13/11/749201311.db2.gz SINKFNWNAWTOAZ-KKUMJFAQSA-N 1 1 348.447 0.721 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000985834854 749203756 /nfs/dbraw/zinc/20/37/56/749203756.db2.gz WRATVBLOTYGPQX-UHFFFAOYSA-N 1 1 334.464 0.938 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC000980235567 749218495 /nfs/dbraw/zinc/21/84/95/749218495.db2.gz BHYHWNCHGBXVIJ-MELADBBJSA-N 1 1 341.415 0.429 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nc4nccc(C)n4n3)C[C@H]2C1 ZINC000980230094 749225793 /nfs/dbraw/zinc/22/57/93/749225793.db2.gz KHAWYMOKHHKJEC-KKUMJFAQSA-N 1 1 338.415 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccncn2)C1 ZINC000980260541 749253086 /nfs/dbraw/zinc/25/30/86/749253086.db2.gz IFEDOAJUAAYKDZ-DZKIICNBSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccncn2)C1 ZINC000980260541 749253091 /nfs/dbraw/zinc/25/30/91/749253091.db2.gz IFEDOAJUAAYKDZ-DZKIICNBSA-N 1 1 341.415 0.199 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC000980253226 749259749 /nfs/dbraw/zinc/25/97/49/749259749.db2.gz MGULSJPSKMIWQJ-KKUMJFAQSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)nn1 ZINC001098738731 749262655 /nfs/dbraw/zinc/26/26/55/749262655.db2.gz AOIWEHRYDSGIQC-CQSZACIVSA-N 1 1 349.826 0.877 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC000980263010 749269867 /nfs/dbraw/zinc/26/98/67/749269867.db2.gz IXSQOPOUQBHJBW-ZFWWWQNUSA-N 1 1 329.466 0.567 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC000980271070 749281998 /nfs/dbraw/zinc/28/19/98/749281998.db2.gz SXTTUDSRWPEXIL-ZWKOTPCHSA-N 1 1 339.439 0.974 20 30 ECEDMO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001059679253 749404973 /nfs/dbraw/zinc/40/49/73/749404973.db2.gz FJEZHUJBNXKTLC-HNNXBMFYSA-N 1 1 334.420 0.749 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)cn1 ZINC001029891153 749459936 /nfs/dbraw/zinc/45/99/36/749459936.db2.gz BYNOMNKGQHOEGB-CJNGLKHVSA-N 1 1 326.400 0.345 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001004441005 749499648 /nfs/dbraw/zinc/49/96/48/749499648.db2.gz AGSIETNIZCBAHD-RISCZKNCSA-N 1 1 329.404 0.272 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC001004456086 749522050 /nfs/dbraw/zinc/52/20/50/749522050.db2.gz LNLYLKGTGGNDDT-CXAGYDPISA-N 1 1 340.427 0.449 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 ZINC001004456745 749523644 /nfs/dbraw/zinc/52/36/44/749523644.db2.gz HMSGOHOTFDXLBN-MRXNPFEDSA-N 1 1 328.416 0.730 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC001029904389 749539019 /nfs/dbraw/zinc/53/90/19/749539019.db2.gz UTXZQTXEJKRRKX-HOCLYGCPSA-N 1 1 345.447 0.601 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001004472568 749541324 /nfs/dbraw/zinc/54/13/24/749541324.db2.gz GMNYFOWPIJTFGH-INIZCTEOSA-N 1 1 347.463 0.861 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)nn1 ZINC001098740754 749551997 /nfs/dbraw/zinc/55/19/97/749551997.db2.gz UVMVDVRHLCCWBI-OAHLLOKOSA-N 1 1 329.408 0.683 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001004509047 749581613 /nfs/dbraw/zinc/58/16/13/749581613.db2.gz WQUMYSLDFHHDQM-JKSUJKDBSA-N 1 1 332.448 0.736 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000986166515 749625763 /nfs/dbraw/zinc/62/57/63/749625763.db2.gz JIVVUXLYHFXOPN-DGCLKSJQSA-N 1 1 342.407 0.676 20 30 ECEDMO [NH2+]=C(NC[C@H]1CN2CCN1CC2)Nc1ccc2c(c1)OCCCO2 ZINC000262748646 749627091 /nfs/dbraw/zinc/62/70/91/749627091.db2.gz BCSGJIOPNPDXSK-AWEZNQCLSA-N 1 1 331.420 0.574 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)[C@H]3CCCNC3=O)C2)CC1 ZINC000980477356 749629719 /nfs/dbraw/zinc/62/97/19/749629719.db2.gz FFRZQBFIVVJDEE-SJORKVTESA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)[C@H](CC)C(N)=O)C2)CC1 ZINC000980477666 749630113 /nfs/dbraw/zinc/63/01/13/749630113.db2.gz IROBMFWYXHUVTN-HZPDHXFCSA-N 1 1 334.464 0.128 20 30 ECEDMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000986179923 749639078 /nfs/dbraw/zinc/63/90/78/749639078.db2.gz BILYKGGJZUCFGS-QMTHXVAHSA-N 1 1 340.391 0.601 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)n1 ZINC000986183301 749642171 /nfs/dbraw/zinc/64/21/71/749642171.db2.gz KWDRIBAEBQROIX-RISCZKNCSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCN1CCCC1=O ZINC001027939224 749644320 /nfs/dbraw/zinc/64/43/20/749644320.db2.gz KLZYJRNNDDXPAE-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000986189889 749648739 /nfs/dbraw/zinc/64/87/39/749648739.db2.gz YFACRWZYIYZQGG-BXUZGUMPSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cn(CC)nn1 ZINC001027940739 749649971 /nfs/dbraw/zinc/64/99/71/749649971.db2.gz SQXNQHUJYPJKSW-IRXDYDNUSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cn(CC)nn1 ZINC001027940739 749649975 /nfs/dbraw/zinc/64/99/75/749649975.db2.gz SQXNQHUJYPJKSW-IRXDYDNUSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004619959 749696680 /nfs/dbraw/zinc/69/66/80/749696680.db2.gz DSMPPCTVIVEQEV-HUUCEWRRSA-N 1 1 339.461 0.014 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)c3cc[nH]n3)CC2)C1=O ZINC001029938095 749767951 /nfs/dbraw/zinc/76/79/51/749767951.db2.gz IETYNTVQFPGEKJ-INIZCTEOSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CC2CCN(C(=O)c3ccn[nH]3)CC2)C1=O ZINC001029938095 749767959 /nfs/dbraw/zinc/76/79/59/749767959.db2.gz IETYNTVQFPGEKJ-INIZCTEOSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)c3ccn[nH]3)CC2)C1=O ZINC001029938095 749767965 /nfs/dbraw/zinc/76/79/65/749767965.db2.gz IETYNTVQFPGEKJ-INIZCTEOSA-N 1 1 345.447 0.981 20 30 ECEDMO COCc1noc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000980573899 749800196 /nfs/dbraw/zinc/80/01/96/749800196.db2.gz FJZFCYBBEHSBSZ-OCCSQVGLSA-N 1 1 332.404 0.956 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccnnc2)C1 ZINC000980628325 749873020 /nfs/dbraw/zinc/87/30/20/749873020.db2.gz IFQXPAIZGFQLAC-BPUTZDHNSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccnnc2)C1 ZINC000980628325 749873023 /nfs/dbraw/zinc/87/30/23/749873023.db2.gz IFQXPAIZGFQLAC-BPUTZDHNSA-N 1 1 341.415 0.199 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)[C@H]1CCCNC1=O ZINC001029957088 750072255 /nfs/dbraw/zinc/07/22/55/750072255.db2.gz RXWAPWJIJYKAJR-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1)[C@@H]1CCCNC1=O ZINC001029958286 750082884 /nfs/dbraw/zinc/08/28/84/750082884.db2.gz UTFCSRUHESEIIS-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058847380 750126414 /nfs/dbraw/zinc/12/64/14/750126414.db2.gz QSWIBJBQXSLRJZ-HZPDHXFCSA-N 1 1 339.480 0.868 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001030181514 762015679 /nfs/dbraw/zinc/01/56/79/762015679.db2.gz FGHGIQQXLXRQHW-MRXNPFEDSA-N 1 1 332.379 0.328 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001030181514 762015688 /nfs/dbraw/zinc/01/56/88/762015688.db2.gz FGHGIQQXLXRQHW-MRXNPFEDSA-N 1 1 332.379 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCCN(C(=O)COC)C1 ZINC000986832596 750406450 /nfs/dbraw/zinc/40/64/50/750406450.db2.gz ADZOWUQUBIHBLR-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCCN(C(=O)COC)C1 ZINC000986832596 750406454 /nfs/dbraw/zinc/40/64/54/750406454.db2.gz ADZOWUQUBIHBLR-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC000980991330 750425959 /nfs/dbraw/zinc/42/59/59/750425959.db2.gz KSSGJTMQZGPYMG-UHFFFAOYSA-N 1 1 341.419 0.943 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001028061738 750443230 /nfs/dbraw/zinc/44/32/30/750443230.db2.gz ZCYGRKFJQLVCHI-LBPRGKRZSA-N 1 1 330.396 0.464 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCNC1=O ZINC001028072662 750485199 /nfs/dbraw/zinc/48/51/99/750485199.db2.gz MTDMRSFJXWOXTA-DLBZAZTESA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCNC1=O ZINC001028072662 750485205 /nfs/dbraw/zinc/48/52/05/750485205.db2.gz MTDMRSFJXWOXTA-DLBZAZTESA-N 1 1 325.412 0.755 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)n1 ZINC001028079052 750558171 /nfs/dbraw/zinc/55/81/71/750558171.db2.gz YKSJSPXDZMQDKR-AWEZNQCLSA-N 1 1 325.376 0.476 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCc2cnc[nH]2)C1 ZINC001005870610 750748150 /nfs/dbraw/zinc/74/81/50/750748150.db2.gz QDPWBHVFISSGQZ-LLVKDONJSA-N 1 1 340.387 0.819 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)Cn2nnc(-c3ccco3)n2)CC1 ZINC000981520588 750768772 /nfs/dbraw/zinc/76/87/72/750768772.db2.gz WOFTVEUDMODPKL-UHFFFAOYSA-N 1 1 328.376 0.491 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)Cn2nnc(-c3ccco3)n2)CC1 ZINC000981520588 750768776 /nfs/dbraw/zinc/76/87/76/750768776.db2.gz WOFTVEUDMODPKL-UHFFFAOYSA-N 1 1 328.376 0.491 20 30 ECEDMO CN(C(=O)[C@H]1CNC(=O)N1)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001005916039 750797877 /nfs/dbraw/zinc/79/78/77/750797877.db2.gz WWTZEKWATQTZKJ-MRXNPFEDSA-N 1 1 341.415 0.662 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001005942519 750826642 /nfs/dbraw/zinc/82/66/42/750826642.db2.gz DIZDKINDEUVXCF-NWDGAFQWSA-N 1 1 329.404 0.415 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001005947526 750833080 /nfs/dbraw/zinc/83/30/80/750833080.db2.gz QWYVSYUTYUMUKO-GFCCVEGCSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cncnc2)C1 ZINC001005958437 750852010 /nfs/dbraw/zinc/85/20/10/750852010.db2.gz SWYMCLPMASVVQZ-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cncnc2)C1 ZINC001005958437 750852016 /nfs/dbraw/zinc/85/20/16/750852016.db2.gz SWYMCLPMASVVQZ-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)[C@H]1CNC(=O)N1 ZINC001028109033 750893422 /nfs/dbraw/zinc/89/34/22/750893422.db2.gz CGBQQXKFTBGWQH-HZPDHXFCSA-N 1 1 344.390 0.439 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)[C@H]1CNC(=O)N1 ZINC001028109033 750893428 /nfs/dbraw/zinc/89/34/28/750893428.db2.gz CGBQQXKFTBGWQH-HZPDHXFCSA-N 1 1 344.390 0.439 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](O)CN1CCCC1=O)C2 ZINC000981672373 750952628 /nfs/dbraw/zinc/95/26/28/750952628.db2.gz RKDSXJHJEQVTPA-GJZGRUSLSA-N 1 1 348.447 0.054 20 30 ECEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000981681571 750965569 /nfs/dbraw/zinc/96/55/69/750965569.db2.gz HVXLDOJHCBEDCI-UHFFFAOYSA-N 1 1 327.392 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2n[nH]cc2C)C1 ZINC001006052147 750967264 /nfs/dbraw/zinc/96/72/64/750967264.db2.gz HMRPXNOLDWCQRK-ZFWWWQNUSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2n[nH]cc2C)C1 ZINC001006052147 750967269 /nfs/dbraw/zinc/96/72/69/750967269.db2.gz HMRPXNOLDWCQRK-ZFWWWQNUSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CCC[NH+]1CCC(N(C)C(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001006086325 751002870 /nfs/dbraw/zinc/00/28/70/751002870.db2.gz KTGITXMQPYNZSK-UHFFFAOYSA-N 1 1 326.462 0.757 20 30 ECEDMO C=C(C)C[N@H+]1CCCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000981720932 751012266 /nfs/dbraw/zinc/01/22/66/751012266.db2.gz ZOXNUIQNEDSHAD-UHFFFAOYSA-N 1 1 329.404 0.606 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001006109717 751022978 /nfs/dbraw/zinc/02/29/78/751022978.db2.gz BBAFVUWOBTVNPT-DGCLKSJQSA-N 1 1 329.404 0.415 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001006110427 751024052 /nfs/dbraw/zinc/02/40/52/751024052.db2.gz CDYFRJWEJJLSOG-RYUDHWBXSA-N 1 1 329.404 0.415 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)C2(n3cnnn3)CCCCC2)CC1 ZINC000981742570 751037678 /nfs/dbraw/zinc/03/76/78/751037678.db2.gz HKVTWWUGFUWSAJ-UHFFFAOYSA-N 1 1 330.436 0.890 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)C1=O ZINC000981758437 751080397 /nfs/dbraw/zinc/08/03/97/751080397.db2.gz PTDNYJFFFOLWLL-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3c(C)cnn3C)CC2)C1=O ZINC000981786023 751098651 /nfs/dbraw/zinc/09/86/51/751098651.db2.gz CPNIXCTYQIALTC-HNNXBMFYSA-N 1 1 345.447 0.663 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3c(C)cnn3C)CC2)C1=O ZINC000981786023 751098657 /nfs/dbraw/zinc/09/86/57/751098657.db2.gz CPNIXCTYQIALTC-HNNXBMFYSA-N 1 1 345.447 0.663 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 ZINC000981780001 751100923 /nfs/dbraw/zinc/10/09/23/751100923.db2.gz IRAIYVKDEODZHW-UHFFFAOYSA-N 1 1 346.435 0.268 20 30 ECEDMO CC#CCN1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981783749 751104270 /nfs/dbraw/zinc/10/42/70/751104270.db2.gz DNUQVXBSOWHNDS-IRXDYDNUSA-N 1 1 331.460 0.797 20 30 ECEDMO CC#CCN1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981783749 751104274 /nfs/dbraw/zinc/10/42/74/751104274.db2.gz DNUQVXBSOWHNDS-IRXDYDNUSA-N 1 1 331.460 0.797 20 30 ECEDMO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC000981801887 751117749 /nfs/dbraw/zinc/11/77/49/751117749.db2.gz ZWUDYZNBVIBLSS-MRXNPFEDSA-N 1 1 347.459 0.429 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCS3(=O)=O)C2)C1 ZINC000981809044 751128624 /nfs/dbraw/zinc/12/86/24/751128624.db2.gz YUILCKAUFPABQO-HNNXBMFYSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCS3(=O)=O)C2)C1 ZINC000981809044 751128625 /nfs/dbraw/zinc/12/86/25/751128625.db2.gz YUILCKAUFPABQO-HNNXBMFYSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](Cn3cccn3)N(C)C)C2)C1 ZINC000981812429 751132534 /nfs/dbraw/zinc/13/25/34/751132534.db2.gz NSZWNVACNCNYOE-INIZCTEOSA-N 1 1 329.448 0.371 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)NC2CC2)c1 ZINC001028129731 751150134 /nfs/dbraw/zinc/15/01/34/751150134.db2.gz UWIYDIVQQUXKCH-SUMWQHHRSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC2CC2)c1 ZINC001028129731 751150139 /nfs/dbraw/zinc/15/01/39/751150139.db2.gz UWIYDIVQQUXKCH-SUMWQHHRSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001006268647 751184091 /nfs/dbraw/zinc/18/40/91/751184091.db2.gz YRTYMBRHDFJDCC-UHFFFAOYSA-N 1 1 332.404 0.668 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)cc1 ZINC000981850611 751192536 /nfs/dbraw/zinc/19/25/36/751192536.db2.gz NLGVWQIOQXFGAO-OAHLLOKOSA-N 1 1 327.388 0.274 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)cc1 ZINC000981850611 751192539 /nfs/dbraw/zinc/19/25/39/751192539.db2.gz NLGVWQIOQXFGAO-OAHLLOKOSA-N 1 1 327.388 0.274 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1 ZINC001028140736 751196230 /nfs/dbraw/zinc/19/62/30/751196230.db2.gz WPNFMTFHUNYTLC-KFWWJZLASA-N 1 1 344.390 0.899 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1 ZINC001028140736 751196233 /nfs/dbraw/zinc/19/62/33/751196233.db2.gz WPNFMTFHUNYTLC-KFWWJZLASA-N 1 1 344.390 0.899 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000987828346 751243349 /nfs/dbraw/zinc/24/33/49/751243349.db2.gz ZSTZGGYCGKXWEI-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000987828287 751243889 /nfs/dbraw/zinc/24/38/89/751243889.db2.gz ZKKBZTXRSCQTKG-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058904747 751298885 /nfs/dbraw/zinc/29/88/85/751298885.db2.gz HVVWLADTWNOXGI-OLZOCXBDSA-N 1 1 328.420 0.875 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001006373345 751304023 /nfs/dbraw/zinc/30/40/23/751304023.db2.gz SJGBZVUQZPMXMZ-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001006373344 751304443 /nfs/dbraw/zinc/30/44/43/751304443.db2.gz SJGBZVUQZPMXMZ-LRDDRELGSA-N 1 1 343.431 0.947 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000987886071 751315920 /nfs/dbraw/zinc/31/59/20/751315920.db2.gz CNZYPXQFBHHQSY-UKRRQHHQSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001028300542 752325232 /nfs/dbraw/zinc/32/52/32/752325232.db2.gz AVMSJSABRPLRDB-AWEZNQCLSA-N 1 1 326.404 0.959 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001028313290 752355767 /nfs/dbraw/zinc/35/57/67/752355767.db2.gz GBUMDYVNWUSIHG-HIFRSBDPSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001028313290 752355776 /nfs/dbraw/zinc/35/57/76/752355776.db2.gz GBUMDYVNWUSIHG-HIFRSBDPSA-N 1 1 331.420 0.401 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C(C)C)C2)cn1 ZINC001020948171 752374056 /nfs/dbraw/zinc/37/40/56/752374056.db2.gz XWOSIEFRVYWBKA-SHTZXODSSA-N 1 1 339.403 0.681 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3nnnn3C)C2)cn1 ZINC001020947862 752374610 /nfs/dbraw/zinc/37/46/10/752374610.db2.gz JNFQJKOWBLBDKP-LERXQTSPSA-N 1 1 325.376 0.198 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC000988631435 752428896 /nfs/dbraw/zinc/42/88/96/752428896.db2.gz GYHXYXKUYCXFBM-RISCZKNCSA-N 1 1 327.392 0.891 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC000988631434 752429222 /nfs/dbraw/zinc/42/92/22/752429222.db2.gz GYHXYXKUYCXFBM-FZMZJTMJSA-N 1 1 327.392 0.891 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](OCC)C2CC2)C[C@H]1OC ZINC001212032391 752430455 /nfs/dbraw/zinc/43/04/55/752430455.db2.gz YIGHRTIYRFEGEV-OWCLPIDISA-N 1 1 326.437 0.820 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC001007519740 752476846 /nfs/dbraw/zinc/47/68/46/752476846.db2.gz VBUOMFOXBPCRDZ-SJORKVTESA-N 1 1 329.448 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccon2)C1 ZINC000982503639 752598053 /nfs/dbraw/zinc/59/80/53/752598053.db2.gz FYUMESCEEUMDAD-HIFRSBDPSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccon2)C1 ZINC000982503639 752598055 /nfs/dbraw/zinc/59/80/55/752598055.db2.gz FYUMESCEEUMDAD-HIFRSBDPSA-N 1 1 330.388 0.351 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001007612028 752635936 /nfs/dbraw/zinc/63/59/36/752635936.db2.gz RHRSZHJCNTWAQJ-APWZRJJASA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cscn2)[C@@H]1C ZINC000988737642 752639976 /nfs/dbraw/zinc/63/99/76/752639976.db2.gz DEUMBCSPFLROGZ-IPYPFGDCSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cscn2)[C@@H]1C ZINC000988737642 752639980 /nfs/dbraw/zinc/63/99/80/752639980.db2.gz DEUMBCSPFLROGZ-IPYPFGDCSA-N 1 1 346.456 0.960 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1OC ZINC001212092671 752713024 /nfs/dbraw/zinc/71/30/24/752713024.db2.gz LWKWMEWQIGMMAS-BZUAXINKSA-N 1 1 326.437 0.821 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001007654934 752719326 /nfs/dbraw/zinc/71/93/26/752719326.db2.gz PDBLDPQLFMTMDQ-LPHOPBHVSA-N 1 1 345.443 0.181 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001028465965 752743392 /nfs/dbraw/zinc/74/33/92/752743392.db2.gz NWHHIVKRPZGEGN-OALUTQOASA-N 1 1 341.455 0.807 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001028464203 752749650 /nfs/dbraw/zinc/74/96/50/752749650.db2.gz MZATUFLSEZWJDM-HIFRSBDPSA-N 1 1 344.415 0.626 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)CCC)CCO2 ZINC001007674331 752763893 /nfs/dbraw/zinc/76/38/93/752763893.db2.gz KNPWGJUGUPIZAZ-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)CCC)CCO2 ZINC001007674331 752763897 /nfs/dbraw/zinc/76/38/97/752763897.db2.gz KNPWGJUGUPIZAZ-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001007677722 752769829 /nfs/dbraw/zinc/76/98/29/752769829.db2.gz HZBHZYPZHNDHMU-GFCCVEGCSA-N 1 1 325.390 0.145 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001028472800 752770149 /nfs/dbraw/zinc/77/01/49/752770149.db2.gz WXBLQXRAAVLUSB-RYUDHWBXSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001028472800 752770153 /nfs/dbraw/zinc/77/01/53/752770153.db2.gz WXBLQXRAAVLUSB-RYUDHWBXSA-N 1 1 344.253 0.859 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028470855 752772291 /nfs/dbraw/zinc/77/22/91/752772291.db2.gz NTZDXIZOCONOCU-AWEZNQCLSA-N 1 1 341.419 0.847 20 30 ECEDMO COCCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(C#N)cn1 ZINC001126372891 752794321 /nfs/dbraw/zinc/79/43/21/752794321.db2.gz JWGAOGTTYZAWOJ-OAHLLOKOSA-N 1 1 345.447 0.864 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)[nH]1 ZINC001028486782 752807650 /nfs/dbraw/zinc/80/76/50/752807650.db2.gz KPBFXRYTXFMUSF-CQSZACIVSA-N 1 1 343.431 0.951 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)[nH]1 ZINC001028487551 752821357 /nfs/dbraw/zinc/82/13/57/752821357.db2.gz YSLGIDBYVJNXCO-JSGCOSHPSA-N 1 1 339.403 0.717 20 30 ECEDMO CCn1nncc1C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028488888 752824894 /nfs/dbraw/zinc/82/48/94/752824894.db2.gz JSAMBCRZWPHFQZ-GFCCVEGCSA-N 1 1 327.392 0.750 20 30 ECEDMO CCn1nncc1C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028488888 752824901 /nfs/dbraw/zinc/82/49/01/752824901.db2.gz JSAMBCRZWPHFQZ-GFCCVEGCSA-N 1 1 327.392 0.750 20 30 ECEDMO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n1 ZINC001083455222 752825104 /nfs/dbraw/zinc/82/51/04/752825104.db2.gz SFQYRAZTORETND-SJORKVTESA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n1 ZINC001083455222 752825110 /nfs/dbraw/zinc/82/51/10/752825110.db2.gz SFQYRAZTORETND-SJORKVTESA-N 1 1 339.399 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000982541208 752831714 /nfs/dbraw/zinc/83/17/14/752831714.db2.gz KRXXLSGPWGYXFV-WBVHZDCISA-N 1 1 345.443 0.743 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000982541208 752831721 /nfs/dbraw/zinc/83/17/21/752831721.db2.gz KRXXLSGPWGYXFV-WBVHZDCISA-N 1 1 345.443 0.743 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@]3(C)C[N@H+]([C@H](C)C(N)=O)C[C@]3(C)C2)c1 ZINC000982541759 752838587 /nfs/dbraw/zinc/83/85/87/752838587.db2.gz LRHZWNXVIDDHMW-ZNOIYHFQSA-N 1 1 340.427 0.721 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn(C3CCOCC3)n2)[C@@H](O)C1 ZINC001083461077 752882915 /nfs/dbraw/zinc/88/29/15/752882915.db2.gz LZJJQPWNRFZASA-CVEARBPZSA-N 1 1 332.404 0.033 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn([C@@H](C)COC)nc2C)[C@@H](O)C1 ZINC001083460418 752885466 /nfs/dbraw/zinc/88/54/66/752885466.db2.gz GRGBJYFUCHKHBN-MAZHCROVSA-N 1 1 336.436 0.750 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3coc(C)n3)C2)C1=O ZINC001028500044 752917607 /nfs/dbraw/zinc/91/76/07/752917607.db2.gz OBOFZCMFVPOHKG-UKRRQHHQSA-N 1 1 332.404 0.822 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001007773947 752921182 /nfs/dbraw/zinc/92/11/82/752921182.db2.gz GZOZMBBBALIZEN-NSHDSACASA-N 1 1 325.390 0.145 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001007777100 752923879 /nfs/dbraw/zinc/92/38/79/752923879.db2.gz UDYLNHNQAJIEOO-LLVKDONJSA-N 1 1 327.406 0.697 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccnn3CC)C2)C1=O ZINC001028502621 752934595 /nfs/dbraw/zinc/93/45/95/752934595.db2.gz CGKQIWBCNTZAKT-GOEBONIOSA-N 1 1 345.447 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000988827173 752939953 /nfs/dbraw/zinc/93/99/53/752939953.db2.gz FCGSOXQYMNKZLV-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000988827173 752939957 /nfs/dbraw/zinc/93/99/57/752939957.db2.gz FCGSOXQYMNKZLV-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000988873485 752974106 /nfs/dbraw/zinc/97/41/06/752974106.db2.gz VVHUJPFJMRXWSE-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000988873485 752974113 /nfs/dbraw/zinc/97/41/13/752974113.db2.gz VVHUJPFJMRXWSE-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028518522 753013898 /nfs/dbraw/zinc/01/38/98/753013898.db2.gz CSNXTSPFPIUUMM-UWVGGRQHSA-N 1 1 332.198 0.442 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028518522 753013906 /nfs/dbraw/zinc/01/39/06/753013906.db2.gz CSNXTSPFPIUUMM-UWVGGRQHSA-N 1 1 332.198 0.442 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001059942161 753102422 /nfs/dbraw/zinc/10/24/22/753102422.db2.gz UFMLHBOIRNFABH-MRXNPFEDSA-N 1 1 346.431 0.586 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C ZINC001007972465 753155050 /nfs/dbraw/zinc/15/50/50/753155050.db2.gz VXHCYGAMZCGEEZ-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1 ZINC001008026776 753210526 /nfs/dbraw/zinc/21/05/26/753210526.db2.gz XJWUSZFORONIRX-UKRRQHHQSA-N 1 1 343.431 0.805 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC001008055029 753245743 /nfs/dbraw/zinc/24/57/43/753245743.db2.gz RFNXATCPNSQBMB-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc3n2CCCC3)C1 ZINC001051494901 762206579 /nfs/dbraw/zinc/20/65/79/762206579.db2.gz OZHONCXKEDUASA-CHWSQXEVSA-N 1 1 332.408 0.091 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cnccc3=O)C[C@@]2(C)C1 ZINC000982684488 753311265 /nfs/dbraw/zinc/31/12/65/753311265.db2.gz VDLPUBUELHZONT-KDURUIRLSA-N 1 1 342.443 0.827 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982713313 753386862 /nfs/dbraw/zinc/38/68/62/753386862.db2.gz KFPQTZZNZPXUOT-HDICACEKSA-N 1 1 346.431 0.122 20 30 ECEDMO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1CCNC1=O ZINC001008179016 753428731 /nfs/dbraw/zinc/42/87/31/753428731.db2.gz SXESACUYPRJWRS-DLBZAZTESA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCNC1=O ZINC001008179016 753428734 /nfs/dbraw/zinc/42/87/34/753428734.db2.gz SXESACUYPRJWRS-DLBZAZTESA-N 1 1 325.412 0.755 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@]2(C)C1 ZINC000982729440 753429258 /nfs/dbraw/zinc/42/92/58/753429258.db2.gz WZGPHBQBKHTMKB-HDICACEKSA-N 1 1 346.431 0.074 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000982740615 753451373 /nfs/dbraw/zinc/45/13/73/753451373.db2.gz YHARDXPIJJWCOS-SJORKVTESA-N 1 1 327.428 0.462 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000982740615 753451379 /nfs/dbraw/zinc/45/13/79/753451379.db2.gz YHARDXPIJJWCOS-SJORKVTESA-N 1 1 327.428 0.462 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059039346 753524952 /nfs/dbraw/zinc/52/49/52/753524952.db2.gz BBBPJKDWNARWES-DZGCQCFKSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059039346 753524957 /nfs/dbraw/zinc/52/49/57/753524957.db2.gz BBBPJKDWNARWES-DZGCQCFKSA-N 1 1 344.419 0.470 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982782610 753537825 /nfs/dbraw/zinc/53/78/25/753537825.db2.gz OKGYMNRMNJCERX-XWIAVFTESA-N 1 1 348.447 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@@H]2CCOC2)CC1(C)C ZINC001008278407 753541300 /nfs/dbraw/zinc/54/13/00/753541300.db2.gz QVZRYQKKMIENJG-PMPSAXMXSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@@H]2CCOC2)CC1(C)C ZINC001008278407 753541304 /nfs/dbraw/zinc/54/13/04/753541304.db2.gz QVZRYQKKMIENJG-PMPSAXMXSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000982785505 753557419 /nfs/dbraw/zinc/55/74/19/753557419.db2.gz BFGGFWFCWBLSAM-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000982785505 753557425 /nfs/dbraw/zinc/55/74/25/753557425.db2.gz BFGGFWFCWBLSAM-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3nccnc3C(N)=O)C[C@@]2(C)C1 ZINC000982792084 753592412 /nfs/dbraw/zinc/59/24/12/753592412.db2.gz CBEPLTXJQYLHMV-HDICACEKSA-N 1 1 341.415 0.383 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001008362978 753657823 /nfs/dbraw/zinc/65/78/23/753657823.db2.gz CDFFXXVKKCYDCW-HUUCEWRRSA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001008362978 753657826 /nfs/dbraw/zinc/65/78/26/753657826.db2.gz CDFFXXVKKCYDCW-HUUCEWRRSA-N 1 1 327.388 0.320 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@@H]1O ZINC001083368153 753701898 /nfs/dbraw/zinc/70/18/98/753701898.db2.gz DYCYADWIXVUHQC-IKGGRYGDSA-N 1 1 346.406 0.453 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3noc4c3COCC4)C2)nn1 ZINC001105374237 753750066 /nfs/dbraw/zinc/75/00/66/753750066.db2.gz QDGAZCQAYCGNTH-UHFFFAOYSA-N 1 1 344.375 0.312 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001008470699 753774257 /nfs/dbraw/zinc/77/42/57/753774257.db2.gz VXANYRAZXUMKFQ-HOTGVXAUSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001008470699 753774260 /nfs/dbraw/zinc/77/42/60/753774260.db2.gz VXANYRAZXUMKFQ-HOTGVXAUSA-N 1 1 326.400 0.536 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)CO[C@H]3CCOC3)C[C@]2(C)C1 ZINC001101232381 753791756 /nfs/dbraw/zinc/79/17/56/753791756.db2.gz SFJWPLYOYOXYDA-RYRKJORJSA-N 1 1 338.448 0.775 20 30 ECEDMO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)s1 ZINC001083392495 753793610 /nfs/dbraw/zinc/79/36/10/753793610.db2.gz LKOYLKJUWVURJH-KGLIPLIRSA-N 1 1 345.428 0.935 20 30 ECEDMO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)s1 ZINC001083392495 753793613 /nfs/dbraw/zinc/79/36/13/753793613.db2.gz LKOYLKJUWVURJH-KGLIPLIRSA-N 1 1 345.428 0.935 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2cnc(C#N)cn2)CC[N@H+]1C ZINC001105533407 753802352 /nfs/dbraw/zinc/80/23/52/753802352.db2.gz RNBBSEOHIACPJD-KBPBESRZSA-N 1 1 330.436 0.973 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001028598072 753857810 /nfs/dbraw/zinc/85/78/10/753857810.db2.gz LSSTVGYLUVWPTE-PBHICJAKSA-N 1 1 325.412 0.975 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001008538215 753885060 /nfs/dbraw/zinc/88/50/60/753885060.db2.gz GKWMISMGCGZGII-AWEZNQCLSA-N 1 1 330.432 0.741 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001008538215 753885068 /nfs/dbraw/zinc/88/50/68/753885068.db2.gz GKWMISMGCGZGII-AWEZNQCLSA-N 1 1 330.432 0.741 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000982838843 753929710 /nfs/dbraw/zinc/92/97/10/753929710.db2.gz OCTPAJXXUQPDLE-JYJNAYRXSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000982838843 753929715 /nfs/dbraw/zinc/92/97/15/753929715.db2.gz OCTPAJXXUQPDLE-JYJNAYRXSA-N 1 1 333.432 0.085 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001028617790 753947599 /nfs/dbraw/zinc/94/75/99/753947599.db2.gz KRJMOFDSHVRAJZ-GXTWGEPZSA-N 1 1 345.403 0.021 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001028624741 753967093 /nfs/dbraw/zinc/96/70/93/753967093.db2.gz GGZOJNAAYCKNNU-HUUCEWRRSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C(N)=O)nc3)C[C@@]2(C)C1 ZINC000982855589 754004585 /nfs/dbraw/zinc/00/45/85/754004585.db2.gz TXTTWMIXWBOJNP-KDURUIRLSA-N 1 1 340.427 0.988 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001028633136 754012962 /nfs/dbraw/zinc/01/29/62/754012962.db2.gz YKOZDXKSYCFYIH-UPJWGTAASA-N 1 1 334.338 0.794 20 30 ECEDMO C[C@@H](CCNC(=O)CSCC#N)NC(=O)C[N@@H+](C)C1CCC1 ZINC001075679082 754086265 /nfs/dbraw/zinc/08/62/65/754086265.db2.gz FUNCJQSSUMXHIR-LBPRGKRZSA-N 1 1 326.466 0.738 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cnon3)C[C@@H]2C)nn1 ZINC000989544770 754093394 /nfs/dbraw/zinc/09/33/94/754093394.db2.gz XFIFEFKJWLJFJL-NWDGAFQWSA-N 1 1 331.380 0.630 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cnn(C)n3)C[C@@H]2C)nn1 ZINC000989544736 754093857 /nfs/dbraw/zinc/09/38/57/754093857.db2.gz WVRXFVSTEZVEHI-STQMWFEESA-N 1 1 344.423 0.376 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CO[C@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000982891916 754105520 /nfs/dbraw/zinc/10/55/20/754105520.db2.gz VLKUHMILMGZFGF-OCCSQVGLSA-N 1 1 333.392 0.717 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)cn2)O1 ZINC001105602857 754115963 /nfs/dbraw/zinc/11/59/63/754115963.db2.gz YIHWLGHSXMQBIU-UKRRQHHQSA-N 1 1 331.420 0.567 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)cn2)O1 ZINC001105602857 754115968 /nfs/dbraw/zinc/11/59/68/754115968.db2.gz YIHWLGHSXMQBIU-UKRRQHHQSA-N 1 1 331.420 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc[nH]3)[C@@H]2C1 ZINC001008787874 754118903 /nfs/dbraw/zinc/11/89/03/754118903.db2.gz JLTYRDYLFFCDTO-MPTYRVRUSA-N 1 1 340.427 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc[nH]3)[C@@H]2C1 ZINC001008787874 754118906 /nfs/dbraw/zinc/11/89/06/754118906.db2.gz JLTYRDYLFFCDTO-MPTYRVRUSA-N 1 1 340.427 0.547 20 30 ECEDMO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)c1nncn1C ZINC001051524588 762275487 /nfs/dbraw/zinc/27/54/87/762275487.db2.gz VZTHCWRGHYMSNU-AAEUAGOBSA-N 1 1 343.391 0.207 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC000982922191 754201892 /nfs/dbraw/zinc/20/18/92/754201892.db2.gz KRKGFUKWTBKZIV-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC000982922191 754201899 /nfs/dbraw/zinc/20/18/99/754201899.db2.gz KRKGFUKWTBKZIV-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cocn2)C1 ZINC000982924573 754210135 /nfs/dbraw/zinc/21/01/35/754210135.db2.gz YWOOSCNVPXTZEW-HIFRSBDPSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cocn2)C1 ZINC000982924573 754210142 /nfs/dbraw/zinc/21/01/42/754210142.db2.gz YWOOSCNVPXTZEW-HIFRSBDPSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2coc(C)n2)C1 ZINC000982924486 754210370 /nfs/dbraw/zinc/21/03/70/754210370.db2.gz XYMWVIGEHPLECX-HOCLYGCPSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2coc(C)n2)C1 ZINC000982924486 754210375 /nfs/dbraw/zinc/21/03/75/754210375.db2.gz XYMWVIGEHPLECX-HOCLYGCPSA-N 1 1 344.415 0.659 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001008854412 754211169 /nfs/dbraw/zinc/21/11/69/754211169.db2.gz MXFGQYLLZXBMKO-ZOBUZTSGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001008854412 754211173 /nfs/dbraw/zinc/21/11/73/754211173.db2.gz MXFGQYLLZXBMKO-ZOBUZTSGSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000982959726 754286108 /nfs/dbraw/zinc/28/61/08/754286108.db2.gz UCZHNQNHPHJQBA-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028658968 754370214 /nfs/dbraw/zinc/37/02/14/754370214.db2.gz KNVPMWKVZSMSRV-JTQLQIEISA-N 1 1 347.824 0.731 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028658968 754370221 /nfs/dbraw/zinc/37/02/21/754370221.db2.gz KNVPMWKVZSMSRV-JTQLQIEISA-N 1 1 347.824 0.731 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000983009214 754418840 /nfs/dbraw/zinc/41/88/40/754418840.db2.gz KOVLGOBBIAVPQV-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001028673275 754574242 /nfs/dbraw/zinc/57/42/42/754574242.db2.gz VLMNMAFXEJLYQH-AWEZNQCLSA-N 1 1 329.400 0.626 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001060007877 754690464 /nfs/dbraw/zinc/69/04/64/754690464.db2.gz QULOPJZATRYXFY-CVEARBPZSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001060007877 754690470 /nfs/dbraw/zinc/69/04/70/754690470.db2.gz QULOPJZATRYXFY-CVEARBPZSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3ncccc3C#N)C2)C1 ZINC001060007461 754701924 /nfs/dbraw/zinc/70/19/24/754701924.db2.gz NAQSXWAGVASVPP-HOCLYGCPSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3ncccc3C#N)C2)C1 ZINC001060007461 754701929 /nfs/dbraw/zinc/70/19/29/754701929.db2.gz NAQSXWAGVASVPP-HOCLYGCPSA-N 1 1 343.431 0.934 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCN(C)C3=O)C2)nc1 ZINC001009269436 754726047 /nfs/dbraw/zinc/72/60/47/754726047.db2.gz ODZYQNDYGMMEQM-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)nc1 ZINC001009269436 754726051 /nfs/dbraw/zinc/72/60/51/754726051.db2.gz ODZYQNDYGMMEQM-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCNC3=O)C2)cn1 ZINC001009273271 754730031 /nfs/dbraw/zinc/73/00/31/754730031.db2.gz FBVYYSFRTVOFGM-MRXNPFEDSA-N 1 1 341.415 0.282 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)cn1 ZINC001009273271 754730035 /nfs/dbraw/zinc/73/00/35/754730035.db2.gz FBVYYSFRTVOFGM-MRXNPFEDSA-N 1 1 341.415 0.282 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001009273294 754730047 /nfs/dbraw/zinc/73/00/47/754730047.db2.gz FDOZXHDHXWDAQS-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001009273294 754730053 /nfs/dbraw/zinc/73/00/53/754730053.db2.gz FDOZXHDHXWDAQS-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990164275 754789734 /nfs/dbraw/zinc/78/97/34/754789734.db2.gz UAWIBSZFUNCYOF-NVXWUHKLSA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990164275 754789738 /nfs/dbraw/zinc/78/97/38/754789738.db2.gz UAWIBSZFUNCYOF-NVXWUHKLSA-N 1 1 339.403 0.942 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001028715083 754810420 /nfs/dbraw/zinc/81/04/20/754810420.db2.gz ZOZVMDHWBVMWIS-CYBMUJFWSA-N 1 1 329.404 0.959 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)cc1 ZINC001028729992 754884520 /nfs/dbraw/zinc/88/45/20/754884520.db2.gz CDCAEZMDRIJBNJ-HNNXBMFYSA-N 1 1 325.412 0.998 20 30 ECEDMO N#Cc1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncccn3)C2)c[nH]1 ZINC001051562779 762344574 /nfs/dbraw/zinc/34/45/74/762344574.db2.gz KMUXNLNJTLAIOK-AWEZNQCLSA-N 1 1 326.360 0.307 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)N2CCC2)CC3)c[nH]1 ZINC000990266730 754910198 /nfs/dbraw/zinc/91/01/98/754910198.db2.gz OKFAZYTZHSGJFB-YJBOKZPZSA-N 1 1 341.415 0.845 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)ccc1F ZINC001028735716 754918624 /nfs/dbraw/zinc/91/86/24/754918624.db2.gz QQGKMUYWBLMEEZ-UKRRQHHQSA-N 1 1 344.390 0.772 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990290443 754928546 /nfs/dbraw/zinc/92/85/46/754928546.db2.gz WTGCEKHEMIXEBL-JKIFEVAISA-N 1 1 329.404 0.877 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC001028746045 754954230 /nfs/dbraw/zinc/95/42/30/754954230.db2.gz MACCBILLQKEUFE-AWEZNQCLSA-N 1 1 325.376 0.334 20 30 ECEDMO Cc1nnc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)[nH]1 ZINC001051563423 762347116 /nfs/dbraw/zinc/34/71/16/762347116.db2.gz RYNYONILRHHCAS-YGRLFVJLSA-N 1 1 343.391 0.505 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000983300874 755099742 /nfs/dbraw/zinc/09/97/42/755099742.db2.gz FSOQFYJBYHHNBK-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000983306440 755116699 /nfs/dbraw/zinc/11/66/99/755116699.db2.gz SXULCPBWSQIVPY-KBPBESRZSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001075703716 755136739 /nfs/dbraw/zinc/13/67/39/755136739.db2.gz MUFRCTTWASWQML-BFQNTYOBSA-N 1 1 341.415 0.700 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001075703716 755136743 /nfs/dbraw/zinc/13/67/43/755136743.db2.gz MUFRCTTWASWQML-BFQNTYOBSA-N 1 1 341.415 0.700 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001028792662 755141167 /nfs/dbraw/zinc/14/11/67/755141167.db2.gz LDBOCTBKWYYTBO-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001060034368 755159547 /nfs/dbraw/zinc/15/95/47/755159547.db2.gz GSXGYIZMICGAME-CQSZACIVSA-N 1 1 339.403 0.626 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC001075709222 755192887 /nfs/dbraw/zinc/19/28/87/755192887.db2.gz BMQIDGJOLHVFMT-TUKIKUTGSA-N 1 1 327.388 0.263 20 30 ECEDMO CN1CCC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC001075709919 755197236 /nfs/dbraw/zinc/19/72/36/755197236.db2.gz TYKGEKODTHDLAH-VBNZEHGJSA-N 1 1 341.415 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)OC ZINC000990489151 755267714 /nfs/dbraw/zinc/26/77/14/755267714.db2.gz UOMVOJGPXWSFEW-IKGGRYGDSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)OC ZINC000990489151 755267718 /nfs/dbraw/zinc/26/77/18/755267718.db2.gz UOMVOJGPXWSFEW-IKGGRYGDSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)nn1 ZINC001028852081 755309987 /nfs/dbraw/zinc/30/99/87/755309987.db2.gz FEFBYMRBHOZZSN-CABCVRRESA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001028855143 755317257 /nfs/dbraw/zinc/31/72/57/755317257.db2.gz VTVJADZRPIXFQU-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001028863831 755336045 /nfs/dbraw/zinc/33/60/45/755336045.db2.gz DJSWWCZESPELCK-SFYCDEOASA-N 1 1 334.420 0.379 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4ncc[nH]4)CCC[C@H]23)C1=O ZINC000990589293 755456602 /nfs/dbraw/zinc/45/66/02/755456602.db2.gz NSNAWNMQGCZZEX-SUNYJGFJSA-N 1 1 343.431 0.923 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001028919394 755479204 /nfs/dbraw/zinc/47/92/04/755479204.db2.gz VKKRSNYRMBOTPA-STQMWFEESA-N 1 1 332.404 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2oc(C)nc2C)C1 ZINC000990631681 755523536 /nfs/dbraw/zinc/52/35/36/755523536.db2.gz ZVVIDMWYKQBPLQ-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2oc(C)nc2C)C1 ZINC000990631681 755523541 /nfs/dbraw/zinc/52/35/41/755523541.db2.gz ZVVIDMWYKQBPLQ-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@@H]1C(C)C ZINC001105665999 755534706 /nfs/dbraw/zinc/53/47/06/755534706.db2.gz CAJLJIPBXBYSJS-LMSBXDPUSA-N 1 1 336.480 0.818 20 30 ECEDMO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncn[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105667333 755615028 /nfs/dbraw/zinc/61/50/28/755615028.db2.gz QPBPUNCGVJHKQC-KNCCTNLNSA-N 1 1 345.447 0.337 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001083482928 755640516 /nfs/dbraw/zinc/64/05/16/755640516.db2.gz AKVPXWZFBCXMSN-ILXRZTDVSA-N 1 1 337.464 0.761 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3c2cccc3OC)[C@@H](O)C1 ZINC001083496074 755705289 /nfs/dbraw/zinc/70/52/89/755705289.db2.gz CMWKPBPMVSTSCZ-OLZOCXBDSA-N 1 1 330.388 0.923 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)[C@@H](O)C1 ZINC001083500913 755742317 /nfs/dbraw/zinc/74/23/17/755742317.db2.gz NYPROSYFVZIAKV-BMFZPTHFSA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)[C@@H](O)C1 ZINC001083500913 755742319 /nfs/dbraw/zinc/74/23/19/755742319.db2.gz NYPROSYFVZIAKV-BMFZPTHFSA-N 1 1 335.448 0.208 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cccc(C)n3)C2)C1=O ZINC001010230934 755846598 /nfs/dbraw/zinc/84/65/98/755846598.db2.gz XJNPAQQTPHANSH-ZBFHGGJFSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cccc(C)n3)C2)C1=O ZINC001010230934 755846604 /nfs/dbraw/zinc/84/66/04/755846604.db2.gz XJNPAQQTPHANSH-ZBFHGGJFSA-N 1 1 328.416 0.981 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(C)=O)CC1 ZINC001105676286 755851639 /nfs/dbraw/zinc/85/16/39/755851639.db2.gz VGRRCYZGMVZJOK-JCGIZDLHSA-N 1 1 346.475 0.284 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010255089 755891050 /nfs/dbraw/zinc/89/10/50/755891050.db2.gz NISWUCSSIXXPGL-DOTOQJQBSA-N 1 1 345.399 0.673 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010255089 755891055 /nfs/dbraw/zinc/89/10/55/755891055.db2.gz NISWUCSSIXXPGL-DOTOQJQBSA-N 1 1 345.399 0.673 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088828385 755956719 /nfs/dbraw/zinc/95/67/19/755956719.db2.gz IQOGMBZGFLGEAY-UGFHNGPFSA-N 1 1 327.388 0.319 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1O ZINC001083535409 755972879 /nfs/dbraw/zinc/97/28/79/755972879.db2.gz PDRDVTIEMLCCTE-QYZOEREBSA-N 1 1 341.455 0.754 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@H](C)CC(N)=O)CC1 ZINC001105680031 755980887 /nfs/dbraw/zinc/98/08/87/755980887.db2.gz PYTGRISVHDNERK-OIISXLGYSA-N 1 1 348.491 0.824 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1nnnn1-c1ccccc1 ZINC001126916611 755983128 /nfs/dbraw/zinc/98/31/28/755983128.db2.gz XBVLTRQFJLYDBO-UHFFFAOYSA-N 1 1 326.404 0.918 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076027391 756010145 /nfs/dbraw/zinc/01/01/45/756010145.db2.gz ODPGUTRKSJIYGU-GJZGRUSLSA-N 1 1 341.452 0.311 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076027391 756010155 /nfs/dbraw/zinc/01/01/55/756010155.db2.gz ODPGUTRKSJIYGU-GJZGRUSLSA-N 1 1 341.452 0.311 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)[C@@H](O)C1 ZINC001083540828 756040985 /nfs/dbraw/zinc/04/09/85/756040985.db2.gz BESHFWVEXOXMRA-KGLIPLIRSA-N 1 1 331.372 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cccc(=O)[nH]1 ZINC001076054949 756046698 /nfs/dbraw/zinc/04/66/98/756046698.db2.gz CQDYJWLWLJVLFD-ZFWWWQNUSA-N 1 1 344.415 0.509 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cccc(=O)[nH]1 ZINC001076054949 756046701 /nfs/dbraw/zinc/04/67/01/756046701.db2.gz CQDYJWLWLJVLFD-ZFWWWQNUSA-N 1 1 344.415 0.509 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001010399193 756082944 /nfs/dbraw/zinc/08/29/44/756082944.db2.gz CTYCWFOGHWUIGT-KGLIPLIRSA-N 1 1 331.420 0.618 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001010399193 756082949 /nfs/dbraw/zinc/08/29/49/756082949.db2.gz CTYCWFOGHWUIGT-KGLIPLIRSA-N 1 1 331.420 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cncc(F)c1 ZINC001076129604 756118696 /nfs/dbraw/zinc/11/86/96/756118696.db2.gz ZWNDJZZTSBRHCM-BBRMVZONSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cncc(F)c1 ZINC001076129604 756118700 /nfs/dbraw/zinc/11/87/00/756118700.db2.gz ZWNDJZZTSBRHCM-BBRMVZONSA-N 1 1 346.406 0.943 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001010453577 756147486 /nfs/dbraw/zinc/14/74/86/756147486.db2.gz DJZSUNQGTWSLMQ-JSGCOSHPSA-N 1 1 330.388 0.378 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001010453577 756147490 /nfs/dbraw/zinc/14/74/90/756147490.db2.gz DJZSUNQGTWSLMQ-JSGCOSHPSA-N 1 1 330.388 0.378 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001076156843 756148671 /nfs/dbraw/zinc/14/86/71/756148671.db2.gz CJJUXVQJYWAYGT-ZNMIVQPWSA-N 1 1 349.431 0.048 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001076156843 756148672 /nfs/dbraw/zinc/14/86/72/756148672.db2.gz CJJUXVQJYWAYGT-ZNMIVQPWSA-N 1 1 349.431 0.048 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)ccc1F ZINC001010501039 756188717 /nfs/dbraw/zinc/18/87/17/756188717.db2.gz ZSHCRDYYWURJSM-HIFRSBDPSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)ccc1F ZINC001010501039 756188719 /nfs/dbraw/zinc/18/87/19/756188719.db2.gz ZSHCRDYYWURJSM-HIFRSBDPSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 ZINC001076238109 756260041 /nfs/dbraw/zinc/26/00/41/756260041.db2.gz QMYDGNDWJLQMDR-XUWVNRHRSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncoc2C)CC1 ZINC001010577833 756266249 /nfs/dbraw/zinc/26/62/49/756266249.db2.gz XVBCFQIEWURLDI-AWEZNQCLSA-N 1 1 330.388 0.365 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncoc2C)CC1 ZINC001010577833 756266251 /nfs/dbraw/zinc/26/62/51/756266251.db2.gz XVBCFQIEWURLDI-AWEZNQCLSA-N 1 1 330.388 0.365 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nnc4c3CCCC4)[C@@H]2C1 ZINC001076253645 756292023 /nfs/dbraw/zinc/29/20/23/756292023.db2.gz PWZIOVZZHXJJOK-WMLDXEAASA-N 1 1 327.432 0.713 20 30 ECEDMO Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010655597 756358176 /nfs/dbraw/zinc/35/81/76/756358176.db2.gz KDOZBPIBAJNWJJ-CYBMUJFWSA-N 1 1 345.428 0.922 20 30 ECEDMO Cc1csc(=O)n1CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010655597 756358183 /nfs/dbraw/zinc/35/81/83/756358183.db2.gz KDOZBPIBAJNWJJ-CYBMUJFWSA-N 1 1 345.428 0.922 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)c[nH]1 ZINC001010688557 756400166 /nfs/dbraw/zinc/40/01/66/756400166.db2.gz IVEZWNCNCMAVSY-WCQYABFASA-N 1 1 336.417 0.125 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)c[nH]1 ZINC001010688557 756400171 /nfs/dbraw/zinc/40/01/71/756400171.db2.gz IVEZWNCNCMAVSY-WCQYABFASA-N 1 1 336.417 0.125 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3conc3C)[C@H]2C)C1=O ZINC001088833294 756410852 /nfs/dbraw/zinc/41/08/52/756410852.db2.gz LBMWUOHUPIHVPO-SNPRPXQTSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3conc3C)[C@H]2C)C1=O ZINC001088833294 756410854 /nfs/dbraw/zinc/41/08/54/756410854.db2.gz LBMWUOHUPIHVPO-SNPRPXQTSA-N 1 1 332.404 0.963 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC001010706872 756425761 /nfs/dbraw/zinc/42/57/61/756425761.db2.gz KJZMLWPNQXJNTF-CYBMUJFWSA-N 1 1 329.404 0.953 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3cc[nH]n3)s2)[C@@H](O)C1 ZINC001083547705 756464518 /nfs/dbraw/zinc/46/45/18/756464518.db2.gz ZGZZQMGXLZTZGP-OLZOCXBDSA-N 1 1 330.413 0.936 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-c3cc[nH]n3)s2)[C@@H](O)C1 ZINC001083547705 756464523 /nfs/dbraw/zinc/46/45/23/756464523.db2.gz ZGZZQMGXLZTZGP-OLZOCXBDSA-N 1 1 330.413 0.936 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cnccc3=O)[C@@H]2C1 ZINC001076406716 756470057 /nfs/dbraw/zinc/47/00/57/756470057.db2.gz ZODSIYBKAOWRNT-UONOGXRCSA-N 1 1 336.823 0.919 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnccc3=O)[C@@H]2C1 ZINC001076406716 756470059 /nfs/dbraw/zinc/47/00/59/756470059.db2.gz ZODSIYBKAOWRNT-UONOGXRCSA-N 1 1 336.823 0.919 20 30 ECEDMO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001076431870 756501328 /nfs/dbraw/zinc/50/13/28/756501328.db2.gz SBYIYHPRXOVKIP-LBPRGKRZSA-N 1 1 332.404 0.774 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001076504873 756588128 /nfs/dbraw/zinc/58/81/28/756588128.db2.gz WOLZLBIEPQCLKX-DLBZAZTESA-N 1 1 325.412 0.489 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001076504873 756588131 /nfs/dbraw/zinc/58/81/31/756588131.db2.gz WOLZLBIEPQCLKX-DLBZAZTESA-N 1 1 325.412 0.489 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)ccc1F ZINC001010842307 756591270 /nfs/dbraw/zinc/59/12/70/756591270.db2.gz PDCXZCZQGRSHTM-GXTWGEPZSA-N 1 1 332.335 0.496 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)ccc1F ZINC001010842307 756591275 /nfs/dbraw/zinc/59/12/75/756591275.db2.gz PDCXZCZQGRSHTM-GXTWGEPZSA-N 1 1 332.335 0.496 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC(F)F)n2)[C@@H](O)C1 ZINC001083549351 756634244 /nfs/dbraw/zinc/63/42/44/756634244.db2.gz DHRLOXCKTLSDQR-OLZOCXBDSA-N 1 1 328.363 0.889 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)[C@@H]2C1 ZINC001076556718 756652250 /nfs/dbraw/zinc/65/22/50/756652250.db2.gz YKSIOAZHWGGCFO-DOTOQJQBSA-N 1 1 336.399 0.832 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)[C@@H]2C1 ZINC001076601717 756719522 /nfs/dbraw/zinc/71/95/22/756719522.db2.gz FPNLMXNLJURMCJ-GOEBONIOSA-N 1 1 327.384 0.330 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4nonc4C)[C@@H]3C2)C1=O ZINC001076635371 756766251 /nfs/dbraw/zinc/76/62/51/756766251.db2.gz RIGLQMSLDUTEKM-BFHYXJOUSA-N 1 1 345.403 0.311 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011027855 756789495 /nfs/dbraw/zinc/78/94/95/756789495.db2.gz FUXKYDWNMZOAOQ-CYBMUJFWSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(C#N)n2)C1 ZINC001060129179 756803670 /nfs/dbraw/zinc/80/36/70/756803670.db2.gz JXPVVWDGTNMFJP-KBPBESRZSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(C#N)n2)C1 ZINC001060129179 756803675 /nfs/dbraw/zinc/80/36/75/756803675.db2.gz JXPVVWDGTNMFJP-KBPBESRZSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)nc2)C1 ZINC001060130096 756814952 /nfs/dbraw/zinc/81/49/52/756814952.db2.gz ZZCRUAUEAHKGLG-WBVHZDCISA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)nc2)C1 ZINC001060130096 756814958 /nfs/dbraw/zinc/81/49/58/756814958.db2.gz ZZCRUAUEAHKGLG-WBVHZDCISA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ccncc2C#N)C1 ZINC001060129901 756825737 /nfs/dbraw/zinc/82/57/37/756825737.db2.gz XLGGHZKOLZSTMS-RDJZCZTQSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ccncc2C#N)C1 ZINC001060129901 756825743 /nfs/dbraw/zinc/82/57/43/756825743.db2.gz XLGGHZKOLZSTMS-RDJZCZTQSA-N 1 1 343.431 0.759 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990936454 756916176 /nfs/dbraw/zinc/91/61/76/756916176.db2.gz VOEGKHTWJVBXOS-OAHLLOKOSA-N 1 1 329.404 0.700 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)cc1 ZINC001076741316 756936512 /nfs/dbraw/zinc/93/65/12/756936512.db2.gz FSZDGYCYUFXFQI-HZPDHXFCSA-N 1 1 325.372 0.116 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)cc1 ZINC001076741316 756936516 /nfs/dbraw/zinc/93/65/16/756936516.db2.gz FSZDGYCYUFXFQI-HZPDHXFCSA-N 1 1 325.372 0.116 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)cc1 ZINC001076759264 757024195 /nfs/dbraw/zinc/02/41/95/757024195.db2.gz OWZZKOLDCGFRGJ-GVDBMIGSSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)cc1 ZINC001076759264 757024202 /nfs/dbraw/zinc/02/42/02/757024202.db2.gz OWZZKOLDCGFRGJ-GVDBMIGSSA-N 1 1 329.400 0.789 20 30 ECEDMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]3C2)nn1 ZINC001048802508 757042337 /nfs/dbraw/zinc/04/23/37/757042337.db2.gz GZCVWRJFXKQUFB-CALCHBBNSA-N 1 1 335.411 0.871 20 30 ECEDMO CO[C@@H](C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1)C1CCC1 ZINC001107149784 757053439 /nfs/dbraw/zinc/05/34/39/757053439.db2.gz QPBPWVDEYSNLAL-LRDDRELGSA-N 1 1 346.435 0.726 20 30 ECEDMO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1 ZINC001076777893 757072983 /nfs/dbraw/zinc/07/29/83/757072983.db2.gz HPELDAOVMXMUQD-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1 ZINC001076777893 757072992 /nfs/dbraw/zinc/07/29/92/757072992.db2.gz HPELDAOVMXMUQD-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011160639 757073031 /nfs/dbraw/zinc/07/30/31/757073031.db2.gz UXCQINNEINUFNW-OAGGEKHMSA-N 1 1 335.448 0.590 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@H]2C1 ZINC001048818006 757093518 /nfs/dbraw/zinc/09/35/18/757093518.db2.gz DOTYNGSBPQNWEO-KFWWJZLASA-N 1 1 341.415 0.176 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@@H]2C1 ZINC001048827015 757122586 /nfs/dbraw/zinc/12/25/86/757122586.db2.gz RLODQUWXKJTDBA-WTTBNOFXSA-N 1 1 345.447 0.687 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@H]2C1 ZINC001048847880 757169248 /nfs/dbraw/zinc/16/92/48/757169248.db2.gz KDSAXBGJDDDMRC-OAGGEKHMSA-N 1 1 335.448 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001011195772 757174592 /nfs/dbraw/zinc/17/45/92/757174592.db2.gz CDYZMHQFGSZEJX-BBWFWOEESA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001011195772 757174601 /nfs/dbraw/zinc/17/46/01/757174601.db2.gz CDYZMHQFGSZEJX-BBWFWOEESA-N 1 1 329.444 0.801 20 30 ECEDMO C=CCN1CC(n2cc(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107180431 757300315 /nfs/dbraw/zinc/30/03/15/757300315.db2.gz RLPIJHXUDIJBSA-HNNXBMFYSA-N 1 1 332.452 0.811 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@H]2C1 ZINC001048888537 757304390 /nfs/dbraw/zinc/30/43/90/757304390.db2.gz IVTQAJXNTSEGPI-ZNMIVQPWSA-N 1 1 328.416 0.481 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051637680 762538680 /nfs/dbraw/zinc/53/86/80/762538680.db2.gz MLDIIFAOSAMHNJ-NSHDSACASA-N 1 1 342.831 0.306 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC001048905650 757355996 /nfs/dbraw/zinc/35/59/96/757355996.db2.gz DFJOUJBDTSJRJF-IYBDPMFKSA-N 1 1 334.464 0.117 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(OC)o2)CC1 ZINC001011314187 757487433 /nfs/dbraw/zinc/48/74/33/757487433.db2.gz GZKIILNFTBQKNU-AWEZNQCLSA-N 1 1 345.399 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(OC)o2)CC1 ZINC001011314187 757487440 /nfs/dbraw/zinc/48/74/40/757487440.db2.gz GZKIILNFTBQKNU-AWEZNQCLSA-N 1 1 345.399 0.670 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@H]2C1 ZINC001048959156 757518249 /nfs/dbraw/zinc/51/82/49/757518249.db2.gz DLIHIVCYMSNQNE-MJBXVCDLSA-N 1 1 329.391 0.529 20 30 ECEDMO Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898571 757518278 /nfs/dbraw/zinc/51/82/78/757518278.db2.gz PRVDXMLDHNHCKO-ZIAGYGMSSA-N 1 1 345.428 0.669 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@H]2C1 ZINC001048965311 757536958 /nfs/dbraw/zinc/53/69/58/757536958.db2.gz KAHNVPLMMZAFRY-SOUVJXGZSA-N 1 1 328.416 0.941 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)nn1 ZINC000996397399 757543771 /nfs/dbraw/zinc/54/37/71/757543771.db2.gz AXXPUVJYMCMUAE-CQSZACIVSA-N 1 1 345.407 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)cc1 ZINC001048972919 757559857 /nfs/dbraw/zinc/55/98/57/757559857.db2.gz BPJJEIVIXAURCX-FGTMMUONSA-N 1 1 337.423 0.950 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC001021559571 757599880 /nfs/dbraw/zinc/59/98/80/757599880.db2.gz SKDRSKYNNKIHKP-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC001021567404 757609164 /nfs/dbraw/zinc/60/91/64/757609164.db2.gz RLICVARBLRAQJP-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC001021592632 757656995 /nfs/dbraw/zinc/65/69/95/757656995.db2.gz JKFBNQJYAWTXMQ-GVDBMIGSSA-N 1 1 345.443 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC001021592632 757657002 /nfs/dbraw/zinc/65/70/02/757657002.db2.gz JKFBNQJYAWTXMQ-GVDBMIGSSA-N 1 1 345.443 0.180 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@H]2C1 ZINC001049007105 757674550 /nfs/dbraw/zinc/67/45/50/757674550.db2.gz SIDCWCSABMWCGR-SOUVJXGZSA-N 1 1 327.432 0.334 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001021620088 757693897 /nfs/dbraw/zinc/69/38/97/757693897.db2.gz PFFSCMMVPQSPPL-HUUCEWRRSA-N 1 1 333.436 0.471 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021621550 757698313 /nfs/dbraw/zinc/69/83/13/757698313.db2.gz BUWKAAHDVIXAIR-HUUCEWRRSA-N 1 1 344.415 0.285 20 30 ECEDMO C=C(C)CN1CC(n2cc(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)nn2)C1 ZINC001107211737 757703320 /nfs/dbraw/zinc/70/33/20/757703320.db2.gz ZBSXWAYVKQENGR-CQSZACIVSA-N 1 1 332.452 0.669 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021626429 757706648 /nfs/dbraw/zinc/70/66/48/757706648.db2.gz GASNMFDUCIMCLW-KGLIPLIRSA-N 1 1 332.404 0.448 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021626432 757706831 /nfs/dbraw/zinc/70/68/31/757706831.db2.gz GASNMFDUCIMCLW-ZIAGYGMSSA-N 1 1 332.404 0.448 20 30 ECEDMO CN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O ZINC001049024207 757726722 /nfs/dbraw/zinc/72/67/22/757726722.db2.gz VQTUCGVUMZWJOW-IKGGRYGDSA-N 1 1 347.459 0.304 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)c(F)c1 ZINC001021661553 757753253 /nfs/dbraw/zinc/75/32/53/757753253.db2.gz PGXQYPNTTURSFZ-HOCLYGCPSA-N 1 1 344.390 0.996 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(=O)NC)CC[C@H]32)nn1 ZINC001021686526 757780646 /nfs/dbraw/zinc/78/06/46/757780646.db2.gz YXNSFSLHHLWBJN-UKRRQHHQSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)CC[C@H]32)nn1 ZINC001021686519 757781157 /nfs/dbraw/zinc/78/11/57/757781157.db2.gz YXNSFSLHHLWBJN-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001021688154 757784562 /nfs/dbraw/zinc/78/45/62/757784562.db2.gz LPDKBGHQRZPCHB-HUUCEWRRSA-N 1 1 348.447 0.817 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@H]2C1 ZINC001049054958 757792777 /nfs/dbraw/zinc/79/27/77/757792777.db2.gz VMBNDHNKADESFM-VVLHAWIVSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cn(C2C[NH+](C(C)C)C2)nn1 ZINC001107216116 757798642 /nfs/dbraw/zinc/79/86/42/757798642.db2.gz VCUDEFKXQRPFBN-INIZCTEOSA-N 1 1 348.451 0.630 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1 ZINC001021699505 757815478 /nfs/dbraw/zinc/81/54/78/757815478.db2.gz QRLMAVVUOOOWQA-HEHGZKQESA-N 1 1 341.415 0.511 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001021701176 757820332 /nfs/dbraw/zinc/82/03/32/757820332.db2.gz VZFKELRXMYTXCP-UKRRQHHQSA-N 1 1 344.415 0.685 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cnccc2=O)C1 ZINC001021702834 757825279 /nfs/dbraw/zinc/82/52/79/757825279.db2.gz JRMDYMRNFSHRBE-HZPDHXFCSA-N 1 1 328.416 0.580 20 30 ECEDMO N#CCN1C[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@@H]2C1 ZINC001049062929 757846095 /nfs/dbraw/zinc/84/60/95/757846095.db2.gz QTNUFJLYGHLEAU-OKILXGFUSA-N 1 1 329.404 0.798 20 30 ECEDMO C#CCN1CC(n2cc(CNC(=O)C[N@H+](C)CCCCCC)nn2)C1 ZINC001107221273 757860030 /nfs/dbraw/zinc/86/00/30/757860030.db2.gz QQZXLSOHACAXOZ-UHFFFAOYSA-N 1 1 346.479 0.896 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2C1 ZINC001049068699 757871056 /nfs/dbraw/zinc/87/10/56/757871056.db2.gz ZVTRSMRYNAQVCG-XDNAFOTISA-N 1 1 344.459 0.944 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021731410 757875943 /nfs/dbraw/zinc/87/59/43/757875943.db2.gz VHSORRHEOZYWKS-CABCVRRESA-N 1 1 348.447 0.769 20 30 ECEDMO CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001076999591 757876167 /nfs/dbraw/zinc/87/61/67/757876167.db2.gz XQNNLNXDMACHRJ-CGTJXYLNSA-N 1 1 333.476 0.826 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)NC(=O)c1cc(C#N)c[nH]1 ZINC001077020017 757952888 /nfs/dbraw/zinc/95/28/88/757952888.db2.gz LBPLEPHPTJOMMS-LBPRGKRZSA-N 1 1 331.420 0.995 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H](CC)OC)C[C@@H]3C2)nn1 ZINC001049103744 757966304 /nfs/dbraw/zinc/96/63/04/757966304.db2.gz SVUGJYLVGGDMAM-ZNMIVQPWSA-N 1 1 333.436 0.893 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCCn3cncn3)nn2)C1 ZINC001107227645 757981938 /nfs/dbraw/zinc/98/19/38/757981938.db2.gz OFVYKIQJALAOOH-UHFFFAOYSA-N 1 1 344.423 0.399 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\CNc1ccnc(C#N)n1 ZINC001107229392 757991960 /nfs/dbraw/zinc/99/19/60/757991960.db2.gz JCWBAIHXUWSJHM-WSNITJDQSA-N 1 1 328.420 0.729 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)COC)CCC[C@@H]23)C1=O ZINC001107245490 758007339 /nfs/dbraw/zinc/00/73/39/758007339.db2.gz DQZMKAMVYPRMOF-IIDMSEBBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccncn4)C[C@H]3C2)C1=O ZINC001049122834 758034495 /nfs/dbraw/zinc/03/44/95/758034495.db2.gz LEOQYKSSYZMAHX-LZWOXQAQSA-N 1 1 341.415 0.267 20 30 ECEDMO C=CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CCCOC)C2)nn1 ZINC001107240932 758040967 /nfs/dbraw/zinc/04/09/67/758040967.db2.gz JOXWLXWQPNNUAS-CYBMUJFWSA-N 1 1 337.424 0.379 20 30 ECEDMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C1CC1 ZINC001021945803 758089726 /nfs/dbraw/zinc/08/97/26/758089726.db2.gz BZMKHEFQGKFYDB-ZMLRMANQSA-N 1 1 340.391 0.819 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc(C)cn2)C1=O ZINC001032304664 758110202 /nfs/dbraw/zinc/11/02/02/758110202.db2.gz SDXDRVVGXUQEAT-JYJNAYRXSA-N 1 1 343.431 0.264 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc(C)cn2)C1=O ZINC001032304664 758110205 /nfs/dbraw/zinc/11/02/05/758110205.db2.gz SDXDRVVGXUQEAT-JYJNAYRXSA-N 1 1 343.431 0.264 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049150387 758134728 /nfs/dbraw/zinc/13/47/28/758134728.db2.gz XDVHTEBSGCGRPU-HOTGVXAUSA-N 1 1 337.464 0.552 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)Cn3nc4n(c3=O)CCCC4)C[C@H]2C1 ZINC001049156068 758156707 /nfs/dbraw/zinc/15/67/07/758156707.db2.gz YSGWYJGMTWIQBD-GASCZTMLSA-N 1 1 345.447 0.347 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)C[C@H]2C1 ZINC001049160887 758176324 /nfs/dbraw/zinc/17/63/24/758176324.db2.gz CURANQAHIZFVPP-GASCZTMLSA-N 1 1 343.431 0.657 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@H]2C1 ZINC001049161942 758180242 /nfs/dbraw/zinc/18/02/42/758180242.db2.gz KRZNSVARXWGOFP-OKILXGFUSA-N 1 1 325.372 0.556 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@H]2C1 ZINC001049165899 758192999 /nfs/dbraw/zinc/19/29/99/758192999.db2.gz IDWMQDCRILBRNK-GASCZTMLSA-N 1 1 338.415 0.837 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@H]2C1 ZINC001049165899 758193003 /nfs/dbraw/zinc/19/30/03/758193003.db2.gz IDWMQDCRILBRNK-GASCZTMLSA-N 1 1 338.415 0.837 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@H]2C1 ZINC001049165899 758193008 /nfs/dbraw/zinc/19/30/08/758193008.db2.gz IDWMQDCRILBRNK-GASCZTMLSA-N 1 1 338.415 0.837 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)C3CCC(C(=O)N(C)C)CC3)C[C@H]2C1 ZINC001049166699 758195304 /nfs/dbraw/zinc/19/53/04/758195304.db2.gz JGMXJADSLPHAOE-UCUFBTAOSA-N 1 1 331.460 0.904 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC001077110530 758197731 /nfs/dbraw/zinc/19/77/31/758197731.db2.gz WOPYZEOIVWDSIG-CHWSQXEVSA-N 1 1 328.363 0.948 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)[C@@H](O)C1 ZINC001083563788 758206014 /nfs/dbraw/zinc/20/60/14/758206014.db2.gz DSWLOOSOCROENY-FMKPAKJESA-N 1 1 348.447 0.585 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@H]2C1 ZINC001049177821 758234285 /nfs/dbraw/zinc/23/42/85/758234285.db2.gz PXLXTZJVAUVVRK-OKILXGFUSA-N 1 1 337.379 0.597 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CS(C)(=O)=O)CCC[C@@H]12 ZINC001107310977 758239486 /nfs/dbraw/zinc/23/94/86/758239486.db2.gz VPFFVENHEFWWHS-GDBMZVCRSA-N 1 1 342.461 0.042 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CS(C)(=O)=O)CCC[C@@H]12 ZINC001107310977 758239494 /nfs/dbraw/zinc/23/94/94/758239494.db2.gz VPFFVENHEFWWHS-GDBMZVCRSA-N 1 1 342.461 0.042 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)OC)CCC[C@@H]12 ZINC001107317017 758255701 /nfs/dbraw/zinc/25/57/01/758255701.db2.gz RCVFDBTUZRXYFX-HDMKZQKVSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107330919 758271787 /nfs/dbraw/zinc/27/17/87/758271787.db2.gz STIBWHWJABKSBI-CRAIPNDOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001077124844 758286835 /nfs/dbraw/zinc/28/68/35/758286835.db2.gz FYXNYFROGIGQGW-HOTGVXAUSA-N 1 1 336.480 0.435 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CCCOC1 ZINC001077125071 758288518 /nfs/dbraw/zinc/28/85/18/758288518.db2.gz LUEYXHDXVNDXCE-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CCCOC1 ZINC001077125071 758288524 /nfs/dbraw/zinc/28/85/24/758288524.db2.gz LUEYXHDXVNDXCE-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nonc1C ZINC001077125085 758288748 /nfs/dbraw/zinc/28/87/48/758288748.db2.gz MJUNQXLMRXAXIV-AAEUAGOBSA-N 1 1 333.392 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nonc1C ZINC001077125085 758288757 /nfs/dbraw/zinc/28/87/57/758288757.db2.gz MJUNQXLMRXAXIV-AAEUAGOBSA-N 1 1 333.392 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cnc(C)o1 ZINC001077125117 758289169 /nfs/dbraw/zinc/28/91/69/758289169.db2.gz OCZVMSATZACLRL-BBRMVZONSA-N 1 1 346.431 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cnc(C)o1 ZINC001077125117 758289176 /nfs/dbraw/zinc/28/91/76/758289176.db2.gz OCZVMSATZACLRL-BBRMVZONSA-N 1 1 346.431 0.634 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001077125126 758289331 /nfs/dbraw/zinc/28/93/31/758289331.db2.gz OIKCOGYNDLREHZ-HOTGVXAUSA-N 1 1 336.480 0.437 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccnnc1 ZINC001077125331 758290971 /nfs/dbraw/zinc/29/09/71/758290971.db2.gz RXURGDSUBDQPBB-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccnnc1 ZINC001077125331 758290981 /nfs/dbraw/zinc/29/09/81/758290981.db2.gz RXURGDSUBDQPBB-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NCC2=CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001127757387 758341960 /nfs/dbraw/zinc/34/19/60/758341960.db2.gz QPJZURPLMUFLQN-AWEZNQCLSA-N 1 1 340.431 0.943 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1O ZINC001077158634 758374541 /nfs/dbraw/zinc/37/45/41/758374541.db2.gz PDRDVTIEMLCCTE-CEXWTWQISA-N 1 1 341.455 0.754 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(c3ccc(C#N)nn3)C[C@H]2C1 ZINC001049244965 758421598 /nfs/dbraw/zinc/42/15/98/758421598.db2.gz SOOPXJPYKRJUBK-YCPHGPKFSA-N 1 1 340.431 0.727 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001049246087 758424060 /nfs/dbraw/zinc/42/40/60/758424060.db2.gz LJGFGQSIDFJDGZ-HOTGVXAUSA-N 1 1 337.464 0.552 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC3(F)F)CCC[C@@H]12 ZINC001107391200 758425960 /nfs/dbraw/zinc/42/59/60/758425960.db2.gz WJEMBBXMCFMMHZ-LALPHHSUSA-N 1 1 340.374 0.642 20 30 ECEDMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077185144 758444288 /nfs/dbraw/zinc/44/42/88/758444288.db2.gz MVLDAHSIWNUUAB-ZIAGYGMSSA-N 1 1 341.371 0.271 20 30 ECEDMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077185144 758444296 /nfs/dbraw/zinc/44/42/96/758444296.db2.gz MVLDAHSIWNUUAB-ZIAGYGMSSA-N 1 1 341.371 0.271 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001077188353 758453805 /nfs/dbraw/zinc/45/38/05/758453805.db2.gz ANDIBIHIMYLRCO-CHWSQXEVSA-N 1 1 328.363 0.808 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001077188353 758453812 /nfs/dbraw/zinc/45/38/12/758453812.db2.gz ANDIBIHIMYLRCO-CHWSQXEVSA-N 1 1 328.363 0.808 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)CNC(=O)N3CCCC3)CCC[C@@H]12 ZINC001107404987 758482723 /nfs/dbraw/zinc/48/27/23/758482723.db2.gz ZNXYKKHZTDKPCT-CRAIPNDOSA-N 1 1 332.448 0.786 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCCOC)C[C@]2(C)C1 ZINC001101141414 758507175 /nfs/dbraw/zinc/50/71/75/758507175.db2.gz WAMNOQMGVVNCDC-RKVPGOIHSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C)n2)C1=O ZINC001032317056 758511541 /nfs/dbraw/zinc/51/15/41/758511541.db2.gz CHNIUCDEDXYLHI-KCQAQPDRSA-N 1 1 329.404 0.404 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C)n2)C1=O ZINC001032317056 758511546 /nfs/dbraw/zinc/51/15/46/758511546.db2.gz CHNIUCDEDXYLHI-KCQAQPDRSA-N 1 1 329.404 0.404 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(=O)COC)CCC[C@@H]12 ZINC001107426249 758535207 /nfs/dbraw/zinc/53/52/07/758535207.db2.gz KZCZFEOHPKQKTR-CRAIPNDOSA-N 1 1 335.448 0.475 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC001049372273 758582885 /nfs/dbraw/zinc/58/28/85/758582885.db2.gz KVHUNDKNNAMSDW-MCIONIFRSA-N 1 1 332.404 0.360 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001077256415 758613651 /nfs/dbraw/zinc/61/36/51/758613651.db2.gz NSRDNHZXPKBAPQ-ULQDDVLXSA-N 1 1 348.491 0.579 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)C1 ZINC001107465520 758623212 /nfs/dbraw/zinc/62/32/12/758623212.db2.gz DMTYYQPSPRGLJV-BWPKMQGJSA-N 1 1 344.419 0.542 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)nc1 ZINC001011804852 758627184 /nfs/dbraw/zinc/62/71/84/758627184.db2.gz YMPFIYSLXYLKOU-OAHLLOKOSA-N 1 1 340.427 0.689 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC001011805760 758629270 /nfs/dbraw/zinc/62/92/70/758629270.db2.gz QCPORGRWDCWGLK-PBHICJAKSA-N 1 1 340.427 0.545 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C#N)c[nH]1 ZINC001049400581 758632530 /nfs/dbraw/zinc/63/25/30/758632530.db2.gz HTAVADDDKHRFBO-HUUCEWRRSA-N 1 1 329.404 0.653 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCn3ncn(C)c3=O)CCC[C@@H]12 ZINC001107486649 758723169 /nfs/dbraw/zinc/72/31/69/758723169.db2.gz HYIKYIBPENUGFG-CRAIPNDOSA-N 1 1 347.463 0.909 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(=O)n3C)CCC[C@@H]12 ZINC001107495270 758751114 /nfs/dbraw/zinc/75/11/14/758751114.db2.gz MJDGQUBLASTOSJ-CRAIPNDOSA-N 1 1 346.431 0.750 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)CNC(=O)OC)CC2(CCOCC2)C1 ZINC001099565940 758771254 /nfs/dbraw/zinc/77/12/54/758771254.db2.gz KSNCSAIZEIUJDW-CQSZACIVSA-N 1 1 337.420 0.353 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001049476666 758782659 /nfs/dbraw/zinc/78/26/59/758782659.db2.gz YYBSEFHXOZUZBT-HUUCEWRRSA-N 1 1 345.443 0.860 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1snc(C)c1C#N ZINC001105909541 762658518 /nfs/dbraw/zinc/65/85/18/762658518.db2.gz JQKUFJRJCWFVBA-LLVKDONJSA-N 1 1 325.438 0.554 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049509758 758829524 /nfs/dbraw/zinc/82/95/24/758829524.db2.gz YSIAEARIEIOUFY-LSDHHAIUSA-N 1 1 339.461 0.111 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001049511766 758830175 /nfs/dbraw/zinc/83/01/75/758830175.db2.gz AFJJKIBCXNNPQK-KGLIPLIRSA-N 1 1 339.399 0.986 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C(N)=O)cn1C ZINC001049577532 758951003 /nfs/dbraw/zinc/95/10/03/758951003.db2.gz QYCHZQUYBVGWMJ-LSDHHAIUSA-N 1 1 328.416 0.826 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCN1C(=O)CCC1=O ZINC001049578933 758955807 /nfs/dbraw/zinc/95/58/07/758955807.db2.gz CDIBWAHMYGWBPB-HUUCEWRRSA-N 1 1 331.416 0.614 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049580267 758957316 /nfs/dbraw/zinc/95/73/16/758957316.db2.gz UMEAPBRNNIKQKR-ZIAGYGMSSA-N 1 1 332.404 0.590 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001049616335 758998698 /nfs/dbraw/zinc/99/86/98/758998698.db2.gz TXUZLLFMXFURIR-HOTGVXAUSA-N 1 1 337.387 0.369 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001049621758 759003632 /nfs/dbraw/zinc/00/36/32/759003632.db2.gz SANLYIYVUCSFNS-HUUCEWRRSA-N 1 1 344.415 0.827 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001077412223 759025751 /nfs/dbraw/zinc/02/57/51/759025751.db2.gz QFUHGLKJOVAAQA-RBSFLKMASA-N 1 1 333.436 0.358 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001077421392 759043580 /nfs/dbraw/zinc/04/35/80/759043580.db2.gz XBYRPVVEZPQDSV-NSHDSACASA-N 1 1 328.376 0.716 20 30 ECEDMO CO[C@H](C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C#CC3CC3)C2)nn1 ZINC001098669575 759044550 /nfs/dbraw/zinc/04/45/50/759044550.db2.gz UTHOINCNHWXPBE-CJNGLKHVSA-N 1 1 331.420 0.589 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc([C@H]3CCOC3)c2)[C@@H](O)C1 ZINC001083585547 759108045 /nfs/dbraw/zinc/10/80/45/759108045.db2.gz BZRBQDGWYLBRJC-KSZLIROESA-N 1 1 328.412 0.989 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)[C@@H](O)C1 ZINC001083587024 759111959 /nfs/dbraw/zinc/11/19/59/759111959.db2.gz YUKNVXXXTGVDEC-NEPJUHHUSA-N 1 1 333.413 0.941 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)[C@@H](O)C1 ZINC001083587418 759115006 /nfs/dbraw/zinc/11/50/06/759115006.db2.gz UVPBKAZQNFCHMM-OLZOCXBDSA-N 1 1 331.376 0.405 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)nn1 ZINC001022824850 759147484 /nfs/dbraw/zinc/14/74/84/759147484.db2.gz PCLKEAARSOGZOW-TXEJJXNPSA-N 1 1 343.391 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001049783981 759201375 /nfs/dbraw/zinc/20/13/75/759201375.db2.gz VVEYODVDEBHVPZ-XMTFNYHQSA-N 1 1 342.443 0.987 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(=O)n(CC)n1 ZINC001049792904 759216753 /nfs/dbraw/zinc/21/67/53/759216753.db2.gz LGEXMFRIQPIXRU-HOTGVXAUSA-N 1 1 328.416 0.965 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001105913981 762695015 /nfs/dbraw/zinc/69/50/15/762695015.db2.gz MNCIMYVTEAXMDQ-OCCSQVGLSA-N 1 1 346.435 0.141 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O ZINC001049841443 759284897 /nfs/dbraw/zinc/28/48/97/759284897.db2.gz SQKMTHMMXOOPBY-GJZGRUSLSA-N 1 1 348.447 0.912 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049846153 759293675 /nfs/dbraw/zinc/29/36/75/759293675.db2.gz DPITVHIMPRZKNH-KGLIPLIRSA-N 1 1 340.387 0.120 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001049867613 759319656 /nfs/dbraw/zinc/31/96/56/759319656.db2.gz NZXNCKORURYLGW-DLBZAZTESA-N 1 1 325.412 0.761 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001049867613 759319665 /nfs/dbraw/zinc/31/96/65/759319665.db2.gz NZXNCKORURYLGW-DLBZAZTESA-N 1 1 325.412 0.761 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001049869179 759321595 /nfs/dbraw/zinc/32/15/95/759321595.db2.gz DKQPZXUDZLSTBC-GVDBMIGSSA-N 1 1 333.432 0.322 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001047629786 759343384 /nfs/dbraw/zinc/34/33/84/759343384.db2.gz XJAPVTUEUJNLFY-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001047629786 759343394 /nfs/dbraw/zinc/34/33/94/759343394.db2.gz XJAPVTUEUJNLFY-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047636996 759367807 /nfs/dbraw/zinc/36/78/07/759367807.db2.gz SXHGGANOEMNSEP-IKGGRYGDSA-N 1 1 349.475 0.552 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)[C@@H]1CCC[N@H+]1C ZINC001125000961 759373362 /nfs/dbraw/zinc/37/33/62/759373362.db2.gz PRYGKNQCNMSELN-GJZGRUSLSA-N 1 1 331.420 0.303 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)COc1ccc(C(N)=O)cc1 ZINC001049898379 759376898 /nfs/dbraw/zinc/37/68/98/759376898.db2.gz BDXMNJRWJRYYRT-SJORKVTESA-N 1 1 341.411 0.863 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001049900923 759379266 /nfs/dbraw/zinc/37/92/66/759379266.db2.gz VUHCMJHWORLQQM-HZSPNIEDSA-N 1 1 327.450 0.320 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001047640966 759385173 /nfs/dbraw/zinc/38/51/73/759385173.db2.gz NAUJGMUFTFXQFD-HOTGVXAUSA-N 1 1 342.399 0.419 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001047640966 759385179 /nfs/dbraw/zinc/38/51/79/759385179.db2.gz NAUJGMUFTFXQFD-HOTGVXAUSA-N 1 1 342.399 0.419 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc3ccccc3n2C)C1 ZINC001047641551 759386672 /nfs/dbraw/zinc/38/66/72/759386672.db2.gz GJDKNPXNIILEOM-ROUUACIJSA-N 1 1 325.412 0.858 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc3ccccc3n2C)C1 ZINC001047641551 759386684 /nfs/dbraw/zinc/38/66/84/759386684.db2.gz GJDKNPXNIILEOM-ROUUACIJSA-N 1 1 325.412 0.858 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCOCC1 ZINC001049913457 759396210 /nfs/dbraw/zinc/39/62/10/759396210.db2.gz YFIGGMIBTGLWHI-KURKYZTESA-N 1 1 331.460 0.796 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccnc(-n2cncn2)c1 ZINC001049927082 759412713 /nfs/dbraw/zinc/41/27/13/759412713.db2.gz HEYSURVCKYYKPN-CVEARBPZSA-N 1 1 336.399 0.974 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047780873 759518611 /nfs/dbraw/zinc/51/86/11/759518611.db2.gz PIFOMNXEHRQYTK-ZYHUDNBSSA-N 1 1 328.380 0.050 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CCNC(=O)NC)CC2)C1 ZINC001105705883 759548996 /nfs/dbraw/zinc/54/89/96/759548996.db2.gz NCVUGRBXQCGWDS-UHFFFAOYSA-N 1 1 336.436 0.021 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)C1=O ZINC001050045481 759609782 /nfs/dbraw/zinc/60/97/82/759609782.db2.gz GKNZYHQECFRUIJ-YESZJQIVSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001050060951 759634489 /nfs/dbraw/zinc/63/44/89/759634489.db2.gz FAHLEAHVKISGRI-HRCADAONSA-N 1 1 333.432 0.037 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 ZINC001050061031 759634724 /nfs/dbraw/zinc/63/47/24/759634724.db2.gz FUWJAVAWQJXFTK-UONOGXRCSA-N 1 1 327.450 0.131 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001050066700 759647049 /nfs/dbraw/zinc/64/70/49/759647049.db2.gz IKMKIXZLHPHGHD-SDDRHHMPSA-N 1 1 340.811 0.260 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001050066700 759647053 /nfs/dbraw/zinc/64/70/53/759647053.db2.gz IKMKIXZLHPHGHD-SDDRHHMPSA-N 1 1 340.811 0.260 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089611 759684663 /nfs/dbraw/zinc/68/46/63/759684663.db2.gz OCYHCIIQORGNSS-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)C3CS(=O)(=O)C3)cc2C1 ZINC001054267044 767883007 /nfs/dbraw/zinc/88/30/07/767883007.db2.gz WJOCREPVUZOYNV-UHFFFAOYSA-N 1 1 332.425 0.686 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nc(C)nn4C3)[C@@H]2C1 ZINC001050103116 759708423 /nfs/dbraw/zinc/70/84/23/759708423.db2.gz DXFAWEFDBCTIOF-HRCADAONSA-N 1 1 327.432 0.705 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001050143335 759793816 /nfs/dbraw/zinc/79/38/16/759793816.db2.gz DSLLEPCZMDBNRM-HZMVEIRTSA-N 1 1 347.459 0.733 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001050143809 759795045 /nfs/dbraw/zinc/79/50/45/759795045.db2.gz GQRXUHCKFVGHJV-JJXSEGSLSA-N 1 1 335.448 0.589 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001050164055 759837122 /nfs/dbraw/zinc/83/71/22/759837122.db2.gz ZGZOTNUPBHXQKS-ZNMIVQPWSA-N 1 1 341.477 0.519 20 30 ECEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)C3CC(=O)NC(=O)C3)cc2C1 ZINC001054285289 767894621 /nfs/dbraw/zinc/89/46/21/767894621.db2.gz BLRRLOIDVZGFGQ-UHFFFAOYSA-N 1 1 327.384 0.857 20 30 ECEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)C3CC(=O)NC(=O)C3)cc2C1 ZINC001054285289 767894628 /nfs/dbraw/zinc/89/46/28/767894628.db2.gz BLRRLOIDVZGFGQ-UHFFFAOYSA-N 1 1 327.384 0.857 20 30 ECEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccnc1 ZINC001099556291 759872886 /nfs/dbraw/zinc/87/28/86/759872886.db2.gz IKVXJWQXAPHHCR-MLHJIOFPSA-N 1 1 342.443 0.702 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 ZINC001050183030 759889008 /nfs/dbraw/zinc/88/90/08/759889008.db2.gz LRFZGWACSJDZLM-GXTWGEPZSA-N 1 1 342.403 0.530 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001017368949 767898732 /nfs/dbraw/zinc/89/87/32/767898732.db2.gz YNTHCAKWDFVVAR-INIZCTEOSA-N 1 1 341.415 0.869 20 30 ECEDMO Cc1nnc(C[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)[nH]1 ZINC000995632055 759892496 /nfs/dbraw/zinc/89/24/96/759892496.db2.gz FYCULJKWAONTTA-ZDUSSCGKSA-N 1 1 327.392 0.953 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(=O)n(CCC)n3)[C@@H]2C1 ZINC001050199207 759924135 /nfs/dbraw/zinc/92/41/35/759924135.db2.gz GQVJPUSFELHEJL-GOEBONIOSA-N 1 1 328.416 0.823 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)[C@@H]2C1 ZINC001050205146 759938684 /nfs/dbraw/zinc/93/86/84/759938684.db2.gz AGOBRCRRQPMTHU-ARFHVFGLSA-N 1 1 327.432 0.705 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3nn(CC)nc3C)C2)C1=O ZINC001032228373 759975330 /nfs/dbraw/zinc/97/53/30/759975330.db2.gz IQWXNFMGMKMNFA-AWEZNQCLSA-N 1 1 346.435 0.055 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001012440458 760006231 /nfs/dbraw/zinc/00/62/31/760006231.db2.gz FMRCVJYKUYWIBQ-BXUZGUMPSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001012504921 760123283 /nfs/dbraw/zinc/12/32/83/760123283.db2.gz YWBFDXNCIPWQDP-ABAIWWIYSA-N 1 1 340.387 0.811 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC001012517196 760158484 /nfs/dbraw/zinc/15/84/84/760158484.db2.gz DUJAKKTVQJVDEN-YOEHRIQHSA-N 1 1 340.427 0.545 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001017396115 767927222 /nfs/dbraw/zinc/92/72/22/767927222.db2.gz NCNPAURTFGDSDN-INIZCTEOSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccccc2C)C1 ZINC000991344618 760392678 /nfs/dbraw/zinc/39/26/78/760392678.db2.gz MZIHSCRLLYWBMP-SFHVURJKSA-N 1 1 339.439 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccccc2C)C1 ZINC000991344618 760392686 /nfs/dbraw/zinc/39/26/86/760392686.db2.gz MZIHSCRLLYWBMP-SFHVURJKSA-N 1 1 339.439 0.962 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001077438267 760428504 /nfs/dbraw/zinc/42/85/04/760428504.db2.gz NGJXYEYMFWVHOU-HUUCEWRRSA-N 1 1 328.372 0.478 20 30 ECEDMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C ZINC000995706350 760452732 /nfs/dbraw/zinc/45/27/32/760452732.db2.gz LNGIXCZPINZLFM-LBPRGKRZSA-N 1 1 328.380 0.050 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC001127052538 760498804 /nfs/dbraw/zinc/49/88/04/760498804.db2.gz ZWLWHIWLJRGGDN-ZDUSSCGKSA-N 1 1 328.372 0.981 20 30 ECEDMO N#CCN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC001048525959 760662287 /nfs/dbraw/zinc/66/22/87/760662287.db2.gz LSOHPIZROMQICI-JJTUDDRGSA-N 1 1 332.448 0.732 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC=C)C1 ZINC001048539117 760681615 /nfs/dbraw/zinc/68/16/15/760681615.db2.gz BPPUJJMFNUIAQC-JYJNAYRXSA-N 1 1 333.432 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC=C)C1 ZINC001048539117 760681617 /nfs/dbraw/zinc/68/16/17/760681617.db2.gz BPPUJJMFNUIAQC-JYJNAYRXSA-N 1 1 333.432 0.080 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001050734467 760753682 /nfs/dbraw/zinc/75/36/82/760753682.db2.gz AQTKXOZHKJDTCX-CVEARBPZSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001048588686 760762898 /nfs/dbraw/zinc/76/28/98/760762898.db2.gz LKDIMGRUXQGLII-FZKCQIBNSA-N 1 1 338.473 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2cnsn2)C(C)(C)C1 ZINC000995925276 760788039 /nfs/dbraw/zinc/78/80/39/760788039.db2.gz RDEOTTWQHHEJIH-LSDHHAIUSA-N 1 1 347.488 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2cnsn2)C(C)(C)C1 ZINC000995925276 760788042 /nfs/dbraw/zinc/78/80/42/760788042.db2.gz RDEOTTWQHHEJIH-LSDHHAIUSA-N 1 1 347.488 0.962 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1ccc(C#N)nc1 ZINC001048612575 760791172 /nfs/dbraw/zinc/79/11/72/760791172.db2.gz DGOKOUJGNYRQIB-GVDBMIGSSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1ccc(C#N)nc1 ZINC001048612575 760791175 /nfs/dbraw/zinc/79/11/75/760791175.db2.gz DGOKOUJGNYRQIB-GVDBMIGSSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C)no4)C[C@H]3C2)C1=O ZINC001048678352 760919944 /nfs/dbraw/zinc/91/99/44/760919944.db2.gz CNRVREHPCXMMII-QLFBSQMISA-N 1 1 344.415 0.774 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cncs4)C[C@H]3C2)C1=O ZINC001048707795 760988556 /nfs/dbraw/zinc/98/85/56/760988556.db2.gz VFPJUVQDCJSFIE-MJBXVCDLSA-N 1 1 346.456 0.934 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C=C(C)C)C[C@H](C)O2 ZINC001111534297 767998738 /nfs/dbraw/zinc/99/87/38/767998738.db2.gz UYVNWQFKRSVIAT-INIZCTEOSA-N 1 1 347.459 0.784 20 30 ECEDMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048721709 761034103 /nfs/dbraw/zinc/03/41/03/761034103.db2.gz PDFGQDVPYKTHCU-FGTMMUONSA-N 1 1 337.423 0.707 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(F)c[nH]1 ZINC001077444855 761043524 /nfs/dbraw/zinc/04/35/24/761043524.db2.gz PBYSGHIXCFNWFG-WFASDCNBSA-N 1 1 334.395 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(F)c[nH]1 ZINC001077444855 761043534 /nfs/dbraw/zinc/04/35/34/761043534.db2.gz PBYSGHIXCFNWFG-WFASDCNBSA-N 1 1 334.395 0.876 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@H]2CCOC2)[nH]1 ZINC001050872093 761045237 /nfs/dbraw/zinc/04/52/37/761045237.db2.gz JQPDCQNEBHUGCS-DZGCQCFKSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@H]2CCOC2)[nH]1 ZINC001050872093 761045246 /nfs/dbraw/zinc/04/52/46/761045246.db2.gz JQPDCQNEBHUGCS-DZGCQCFKSA-N 1 1 332.404 0.744 20 30 ECEDMO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n(C)n1 ZINC001048724569 761045863 /nfs/dbraw/zinc/04/58/63/761045863.db2.gz BRQXFEMFPZLYNL-FPMFFAJLSA-N 1 1 344.419 0.217 20 30 ECEDMO Cc1cc(NC(=O)C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n(C)n1 ZINC001048724569 761045872 /nfs/dbraw/zinc/04/58/72/761045872.db2.gz BRQXFEMFPZLYNL-FPMFFAJLSA-N 1 1 344.419 0.217 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3ncccn3)C[C@@H]2C1 ZINC001048728039 761055026 /nfs/dbraw/zinc/05/50/26/761055026.db2.gz RVCDFLYIKAEMBR-SYQHCUMBSA-N 1 1 342.403 0.353 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)Nc3ncccn3)C[C@@H]2C1 ZINC001048728039 761055033 /nfs/dbraw/zinc/05/50/33/761055033.db2.gz RVCDFLYIKAEMBR-SYQHCUMBSA-N 1 1 342.403 0.353 20 30 ECEDMO Cn1cc(CC[N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)cn1 ZINC001048749694 761107757 /nfs/dbraw/zinc/10/77/57/761107757.db2.gz KWYGZJJERAETFJ-IYBDPMFKSA-N 1 1 338.415 0.866 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12 ZINC000991473414 761111523 /nfs/dbraw/zinc/11/15/23/761111523.db2.gz OHWKTPYQQIEDPY-QAPCUYQASA-N 1 1 334.464 0.450 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@@H]1O ZINC001048757591 761123014 /nfs/dbraw/zinc/12/30/14/761123014.db2.gz JIIWZBDSMAGUSV-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001077446837 761174472 /nfs/dbraw/zinc/17/44/72/761174472.db2.gz WORCFSGSUOFYOT-HZSPNIEDSA-N 1 1 336.461 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H](C)C(=O)NC2CC2)C1 ZINC001030031445 761201640 /nfs/dbraw/zinc/20/16/40/761201640.db2.gz FRSWOWAXSRITAF-XIRDDKMYSA-N 1 1 346.475 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H](C)C(=O)NC2CC2)C1 ZINC001030031445 761201645 /nfs/dbraw/zinc/20/16/45/761201645.db2.gz FRSWOWAXSRITAF-XIRDDKMYSA-N 1 1 346.475 0.332 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001051041830 761379422 /nfs/dbraw/zinc/37/94/22/761379422.db2.gz XKPLMKYUFCHLJQ-CABCVRRESA-N 1 1 347.419 0.149 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001051041830 761379432 /nfs/dbraw/zinc/37/94/32/761379432.db2.gz XKPLMKYUFCHLJQ-CABCVRRESA-N 1 1 347.419 0.149 20 30 ECEDMO C=CCC[NH+]1CC(OC2CCN(C(=O)C(=O)NCC3CC3)CC2)C1 ZINC001105730681 761380748 /nfs/dbraw/zinc/38/07/48/761380748.db2.gz SYZRYFIWLPTMDE-UHFFFAOYSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CCOCCOC)CC2)C1 ZINC001105734281 761409818 /nfs/dbraw/zinc/40/98/18/761409818.db2.gz JTMJGCAOPMDPRY-UHFFFAOYSA-N 1 1 338.448 0.755 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001054543651 768036233 /nfs/dbraw/zinc/03/62/33/768036233.db2.gz PLBZHEDUSWLSLX-DGXTUMSLSA-N 1 1 332.448 0.984 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001054571554 768045589 /nfs/dbraw/zinc/04/55/89/768045589.db2.gz KCTNIVPORTUFFP-BXUZGUMPSA-N 1 1 342.407 0.533 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1[NH2+]Cc1ncnn1CCF ZINC001054587525 768055237 /nfs/dbraw/zinc/05/52/37/768055237.db2.gz LRNUGKLLMYWWKY-RISCZKNCSA-N 1 1 345.382 0.698 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([C@H](C)NC(=O)CSCC#N)C1 ZINC001051205731 761685546 /nfs/dbraw/zinc/68/55/46/761685546.db2.gz MPUXTIAYXNFEAA-UONOGXRCSA-N 1 1 349.460 0.802 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CSCC#N)C1 ZINC001051315292 761879345 /nfs/dbraw/zinc/87/93/45/761879345.db2.gz YSKSSFLSFXNRDM-ZIAGYGMSSA-N 1 1 340.493 0.938 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C#N ZINC001105914605 762711978 /nfs/dbraw/zinc/71/19/78/762711978.db2.gz YSMVHQQNFUFKEN-ZFWWWQNUSA-N 1 1 331.420 0.493 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncnn3C)C2)cc1 ZINC001051748413 762866086 /nfs/dbraw/zinc/86/60/86/762866086.db2.gz ZAJRSZAAGNWCTF-INIZCTEOSA-N 1 1 339.399 0.427 20 30 ECEDMO Cc1nn[nH]c1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001051749202 762867507 /nfs/dbraw/zinc/86/75/07/762867507.db2.gz BYARMBLEHOMXRE-HNNXBMFYSA-N 1 1 340.387 0.616 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1ncc(C#N)cc1Cl ZINC001105944425 762989412 /nfs/dbraw/zinc/98/94/12/762989412.db2.gz PZFPLBBHCVWOTN-LBPRGKRZSA-N 1 1 339.827 0.837 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)c1 ZINC001051816711 763032540 /nfs/dbraw/zinc/03/25/40/763032540.db2.gz LZJODBTWWKQGLO-OAHLLOKOSA-N 1 1 327.344 0.077 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046779693 763115121 /nfs/dbraw/zinc/11/51/21/763115121.db2.gz XNWDNZURBIWXFN-YJBOKZPZSA-N 1 1 326.400 0.917 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046779693 763115129 /nfs/dbraw/zinc/11/51/29/763115129.db2.gz XNWDNZURBIWXFN-YJBOKZPZSA-N 1 1 326.400 0.917 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)nc1 ZINC001046784097 763121334 /nfs/dbraw/zinc/12/13/34/763121334.db2.gz WXVIXTSYHRYTKL-YJBOKZPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCN(C)C3=O)C2)nc1 ZINC001046784097 763121340 /nfs/dbraw/zinc/12/13/40/763121340.db2.gz WXVIXTSYHRYTKL-YJBOKZPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(COC)no2)C1 ZINC001014768583 763123522 /nfs/dbraw/zinc/12/35/22/763123522.db2.gz DMXMQLRCVMBVLL-KBPBESRZSA-N 1 1 347.419 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(COC)no2)C1 ZINC001014768583 763123525 /nfs/dbraw/zinc/12/35/25/763123525.db2.gz DMXMQLRCVMBVLL-KBPBESRZSA-N 1 1 347.419 0.004 20 30 ECEDMO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)ncc1=O ZINC001031862822 763128634 /nfs/dbraw/zinc/12/86/34/763128634.db2.gz PRZOFEUNLFMKBJ-UHFFFAOYSA-N 1 1 343.412 0.575 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001105972842 763135545 /nfs/dbraw/zinc/13/55/45/763135545.db2.gz QPINPRAWHTWNEZ-UONOGXRCSA-N 1 1 332.408 0.110 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(C)n(C)n2)C1 ZINC001014776868 763135997 /nfs/dbraw/zinc/13/59/97/763135997.db2.gz RBYWVBCMVUGXKB-WBVHZDCISA-N 1 1 329.448 0.517 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(C)n(C)n2)C1 ZINC001014776868 763136005 /nfs/dbraw/zinc/13/60/05/763136005.db2.gz RBYWVBCMVUGXKB-WBVHZDCISA-N 1 1 329.448 0.517 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncc(C)o3)C2)nc1 ZINC001051906080 763295087 /nfs/dbraw/zinc/29/50/87/763295087.db2.gz KNBPTOYWAYLRMZ-HNNXBMFYSA-N 1 1 340.383 0.990 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001046885179 763297927 /nfs/dbraw/zinc/29/79/27/763297927.db2.gz CJDKWVGEBUZJEX-GUYCJALGSA-N 1 1 331.420 0.638 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]2O)C1 ZINC000991762643 763314437 /nfs/dbraw/zinc/31/44/37/763314437.db2.gz GFGIFBCRKQXUEL-LSDHHAIUSA-N 1 1 346.431 0.626 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001030442144 763327344 /nfs/dbraw/zinc/32/73/44/763327344.db2.gz NLQFSEQYAJWVRQ-DLBZAZTESA-N 1 1 348.491 0.837 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000940507369 763349244 /nfs/dbraw/zinc/34/92/44/763349244.db2.gz YNXGYZOZJHSQAJ-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCc3ccccc3C#N)C2)C1 ZINC001051931895 763370262 /nfs/dbraw/zinc/37/02/62/763370262.db2.gz IFHRCCZWBXYEMX-ZWKOTPCHSA-N 1 1 342.443 0.827 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCc3ccccc3C#N)C2)C1 ZINC001051931895 763370270 /nfs/dbraw/zinc/37/02/70/763370270.db2.gz IFHRCCZWBXYEMX-ZWKOTPCHSA-N 1 1 342.443 0.827 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000940522816 763382300 /nfs/dbraw/zinc/38/23/00/763382300.db2.gz NXXRWMJRUFHQGG-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCC2(F)F)c[nH]1 ZINC001046929251 763405148 /nfs/dbraw/zinc/40/51/48/763405148.db2.gz YXQJKFLJXIMGDR-LBPRGKRZSA-N 1 1 326.347 0.956 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046930222 763406521 /nfs/dbraw/zinc/40/65/21/763406521.db2.gz YGANVKKUJNXQIX-ZYHUDNBSSA-N 1 1 326.347 0.954 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000940548136 763410017 /nfs/dbraw/zinc/41/00/17/763410017.db2.gz WWFRZUBVXVUPKB-OAGGEKHMSA-N 1 1 346.431 0.890 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046931443 763410228 /nfs/dbraw/zinc/41/02/28/763410228.db2.gz UKACPJAHCBQVGI-ZYHUDNBSSA-N 1 1 326.347 0.954 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3CCCCN3C)C2)CC1 ZINC000995084646 763419161 /nfs/dbraw/zinc/41/91/61/763419161.db2.gz DUIQGUQPRCGYNE-QGZVFWFLSA-N 1 1 346.475 0.143 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]3C(N)=O)C2)c1 ZINC001031896486 763422604 /nfs/dbraw/zinc/42/26/04/763422604.db2.gz HHFVQGBBKSMRKU-CVEARBPZSA-N 1 1 326.400 0.618 20 30 ECEDMO COCC(=O)N1CC[C@@H]([NH+]2CCN(CC#Cc3ccccc3)CC2)C1 ZINC001051954930 763440882 /nfs/dbraw/zinc/44/08/82/763440882.db2.gz AMKNTGIMGXKHGW-LJQANCHMSA-N 1 1 341.455 0.903 20 30 ECEDMO COCC(=O)N1CC[C@H]([NH+]2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC001051957115 763447482 /nfs/dbraw/zinc/44/74/82/763447482.db2.gz ZVLXOVUOFOUAOY-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001046951465 763447586 /nfs/dbraw/zinc/44/75/86/763447586.db2.gz LTEVQCCOBRCUGW-GFCCVEGCSA-N 1 1 338.358 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001046951465 763447590 /nfs/dbraw/zinc/44/75/90/763447590.db2.gz LTEVQCCOBRCUGW-GFCCVEGCSA-N 1 1 338.358 0.734 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001046951443 763447614 /nfs/dbraw/zinc/44/76/14/763447614.db2.gz LKMBBEDNVCCWKY-CHWSQXEVSA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001046951443 763447619 /nfs/dbraw/zinc/44/76/19/763447619.db2.gz LKMBBEDNVCCWKY-CHWSQXEVSA-N 1 1 327.375 0.609 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000995086856 763451803 /nfs/dbraw/zinc/45/18/03/763451803.db2.gz QVRNDSXXYYMPSE-INIZCTEOSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001046954893 763456629 /nfs/dbraw/zinc/45/66/29/763456629.db2.gz VDHMRCRHDUGOIQ-LBPRGKRZSA-N 1 1 340.374 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001046965000 763477508 /nfs/dbraw/zinc/47/75/08/763477508.db2.gz HQQCDIDXVZSYRX-GJZGRUSLSA-N 1 1 335.448 0.066 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001046965000 763477515 /nfs/dbraw/zinc/47/75/15/763477515.db2.gz HQQCDIDXVZSYRX-GJZGRUSLSA-N 1 1 335.448 0.066 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001014929565 763479843 /nfs/dbraw/zinc/47/98/43/763479843.db2.gz FIZHZCYYVOHORF-CQSZACIVSA-N 1 1 326.462 0.968 20 30 ECEDMO N#Cc1cnccc1NC[C@@H](O)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001105996035 763488060 /nfs/dbraw/zinc/48/80/60/763488060.db2.gz ZAKUXXSTRKRQRB-UKRRQHHQSA-N 1 1 340.387 0.038 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001127320003 768139960 /nfs/dbraw/zinc/13/99/60/768139960.db2.gz JUFBYIXBZQMBGX-CQSZACIVSA-N 1 1 331.420 0.792 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001046991678 763526035 /nfs/dbraw/zinc/52/60/35/763526035.db2.gz KARMGVBAFYAUKJ-QWHCGFSZSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001046991678 763526039 /nfs/dbraw/zinc/52/60/39/763526039.db2.gz KARMGVBAFYAUKJ-QWHCGFSZSA-N 1 1 327.375 0.704 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 ZINC001127690052 763531074 /nfs/dbraw/zinc/53/10/74/763531074.db2.gz GFSQUXKRVDZNAK-UHFFFAOYSA-N 1 1 328.420 0.943 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046994847 763533098 /nfs/dbraw/zinc/53/30/98/763533098.db2.gz HKDVJAGWJMSVAH-GFCCVEGCSA-N 1 1 338.358 0.491 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046994847 763533102 /nfs/dbraw/zinc/53/31/02/763533102.db2.gz HKDVJAGWJMSVAH-GFCCVEGCSA-N 1 1 338.358 0.491 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(CC)nn3)C2)nn1 ZINC001098756792 763536588 /nfs/dbraw/zinc/53/65/88/763536588.db2.gz DNULLHRKPINRDP-ZDUSSCGKSA-N 1 1 330.396 0.252 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001046996341 763537496 /nfs/dbraw/zinc/53/74/96/763537496.db2.gz RIERTIOQBOZLAU-LBPRGKRZSA-N 1 1 336.342 0.501 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001046996341 763537501 /nfs/dbraw/zinc/53/75/01/763537501.db2.gz RIERTIOQBOZLAU-LBPRGKRZSA-N 1 1 336.342 0.501 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001046996907 763539605 /nfs/dbraw/zinc/53/96/05/763539605.db2.gz ZYUXJWFUAUJLEJ-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001046996907 763539610 /nfs/dbraw/zinc/53/96/10/763539610.db2.gz ZYUXJWFUAUJLEJ-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001046999017 763541085 /nfs/dbraw/zinc/54/10/85/763541085.db2.gz ZEKDMDHCXPNJLR-OLZOCXBDSA-N 1 1 342.390 0.626 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 ZINC001047023742 763564618 /nfs/dbraw/zinc/56/46/18/763564618.db2.gz UILPVSLXNNGPGI-GBOPCIDUSA-N 1 1 328.420 0.853 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001212184768 763570919 /nfs/dbraw/zinc/57/09/19/763570919.db2.gz HDZLSEWNJXFLTH-BRWVUGGUSA-N 1 1 338.448 0.801 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001052012967 763584042 /nfs/dbraw/zinc/58/40/42/763584042.db2.gz OITXLLFSTLGXEE-INIZCTEOSA-N 1 1 325.416 0.742 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnc(C)n3C)C2)C1=O ZINC001031925676 763602994 /nfs/dbraw/zinc/60/29/94/763602994.db2.gz KYQIIVMGDRGFTQ-CQSZACIVSA-N 1 1 331.420 0.177 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)CC1 ZINC001052025476 763615607 /nfs/dbraw/zinc/61/56/07/763615607.db2.gz FOJOKXLRIPGFHU-IAGOWNOFSA-N 1 1 335.448 0.034 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)CC1 ZINC001052026205 763618774 /nfs/dbraw/zinc/61/87/74/763618774.db2.gz BXIOTVYIXWZSIK-FGTMMUONSA-N 1 1 339.443 0.927 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052028935 763624728 /nfs/dbraw/zinc/62/47/28/763624728.db2.gz VAMMDMPJKUNOPQ-RTBURBONSA-N 1 1 344.503 0.570 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030414 763629211 /nfs/dbraw/zinc/62/92/11/763629211.db2.gz NRKJRENWQOCHHM-HOTGVXAUSA-N 1 1 329.448 0.375 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cnn(C)c3C)C2)CC1 ZINC001052036008 763646600 /nfs/dbraw/zinc/64/66/00/763646600.db2.gz WQUXYBQENAAIET-GOSISDBHSA-N 1 1 343.475 0.513 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3cc(C)on3)C2)CC1 ZINC001052037588 763654871 /nfs/dbraw/zinc/65/48/71/763654871.db2.gz OAJHDOWAQATBRB-MRXNPFEDSA-N 1 1 346.431 0.604 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCn1ccnc1 ZINC001077574373 763676454 /nfs/dbraw/zinc/67/64/54/763676454.db2.gz BLNXUQSFFSIXAP-HOTGVXAUSA-N 1 1 345.447 0.382 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCn1ccnc1 ZINC001077574373 763676463 /nfs/dbraw/zinc/67/64/63/763676463.db2.gz BLNXUQSFFSIXAP-HOTGVXAUSA-N 1 1 345.447 0.382 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(CN(C)C)on3)C2)CC1 ZINC001052044076 763676843 /nfs/dbraw/zinc/67/68/43/763676843.db2.gz CFQPENVXPSXXRS-HNNXBMFYSA-N 1 1 347.463 0.754 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCn4nccc43)C2)CC1 ZINC001052044981 763681254 /nfs/dbraw/zinc/68/12/54/763681254.db2.gz PFKWIOAICASOAI-SJORKVTESA-N 1 1 341.459 0.612 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cccnc3)C2)CC1 ZINC001052047484 763691598 /nfs/dbraw/zinc/69/15/98/763691598.db2.gz OKAUUKLJXBWNKO-GOSISDBHSA-N 1 1 326.444 0.866 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC)C3)cc1 ZINC001047124700 763695569 /nfs/dbraw/zinc/69/55/69/763695569.db2.gz OQKBSSWETWYKEC-XIRDDKMYSA-N 1 1 325.412 0.997 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052048532 763696890 /nfs/dbraw/zinc/69/68/90/763696890.db2.gz WXQCGSNHGBHNDK-QZTJIDSGSA-N 1 1 347.507 0.849 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncc(OC)cn3)C2)CC1 ZINC001052049402 763701320 /nfs/dbraw/zinc/70/13/20/763701320.db2.gz LBWPIGWXHFGNOE-AWEZNQCLSA-N 1 1 331.420 0.503 20 30 ECEDMO Cc1cc(=O)oc(C)c1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052049188 763701687 /nfs/dbraw/zinc/70/16/87/763701687.db2.gz IWEPYFUWNGEJCJ-HNNXBMFYSA-N 1 1 344.415 0.612 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccn4ccnc4c3)C2)CC1 ZINC001052050682 763707348 /nfs/dbraw/zinc/70/73/48/763707348.db2.gz XWLLOEMNVNBYLT-KRWDZBQOSA-N 1 1 337.427 0.800 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052032 763714661 /nfs/dbraw/zinc/71/46/61/763714661.db2.gz GCFTVKSJWULEQM-SFHVURJKSA-N 1 1 341.459 0.651 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)cc1 ZINC001047155237 763736524 /nfs/dbraw/zinc/73/65/24/763736524.db2.gz XPGWITPWNPCWDO-IMJJTQAJSA-N 1 1 341.411 0.767 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)CC1 ZINC001052069306 763764396 /nfs/dbraw/zinc/76/43/96/763764396.db2.gz XINWXEIGYUBHJH-IRXDYDNUSA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)CC1 ZINC001052069306 763764404 /nfs/dbraw/zinc/76/44/04/763764404.db2.gz XINWXEIGYUBHJH-IRXDYDNUSA-N 1 1 348.491 0.790 20 30 ECEDMO CC#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052070886 763769225 /nfs/dbraw/zinc/76/92/25/763769225.db2.gz OJEYOIZGZQHRNP-FHWLQOOXSA-N 1 1 346.519 0.959 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052078729 763790655 /nfs/dbraw/zinc/79/06/55/763790655.db2.gz AGRBIBWXXRHJFC-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cn(C)nc3Cl)C2)CC1 ZINC001052082039 763801215 /nfs/dbraw/zinc/80/12/15/763801215.db2.gz IVGJTUTUYCBHDI-OAHLLOKOSA-N 1 1 349.866 0.468 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)C2)CC1 ZINC001052082474 763802217 /nfs/dbraw/zinc/80/22/17/763802217.db2.gz SWPXDTUFXHKJEM-CVEARBPZSA-N 1 1 341.459 0.681 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001077574985 763812947 /nfs/dbraw/zinc/81/29/47/763812947.db2.gz BOFDNDWSWWZRFF-ZIAGYGMSSA-N 1 1 329.391 0.148 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001077574985 763812953 /nfs/dbraw/zinc/81/29/53/763812953.db2.gz BOFDNDWSWWZRFF-ZIAGYGMSSA-N 1 1 329.391 0.148 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](C3CCN(CC#N)CC3)C2)C1 ZINC001047229416 763818455 /nfs/dbraw/zinc/81/84/55/763818455.db2.gz RADQYRDJXVYHGL-IRXDYDNUSA-N 1 1 334.464 0.791 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](C3CCN(CC#N)CC3)C2)C1 ZINC001047229416 763818464 /nfs/dbraw/zinc/81/84/64/763818464.db2.gz RADQYRDJXVYHGL-IRXDYDNUSA-N 1 1 334.464 0.791 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052087401 763819151 /nfs/dbraw/zinc/81/91/51/763819151.db2.gz VKAYQYAFAZPGPY-INIZCTEOSA-N 1 1 349.866 0.778 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001047234518 763823159 /nfs/dbraw/zinc/82/31/59/763823159.db2.gz WNPFGGPHNKNWNS-NUEKZKHPSA-N 1 1 343.431 0.981 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001047234518 763823169 /nfs/dbraw/zinc/82/31/69/763823169.db2.gz WNPFGGPHNKNWNS-NUEKZKHPSA-N 1 1 343.431 0.981 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052088893 763823405 /nfs/dbraw/zinc/82/34/05/763823405.db2.gz MWFOAADRRKIVDQ-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052088893 763823413 /nfs/dbraw/zinc/82/34/13/763823413.db2.gz MWFOAADRRKIVDQ-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3nccc3C)C2)CC1 ZINC001052090058 763826085 /nfs/dbraw/zinc/82/60/85/763826085.db2.gz WSWODHKJPNRXIW-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)CC1 ZINC001052091928 763832168 /nfs/dbraw/zinc/83/21/68/763832168.db2.gz PCFSBRQIOHWUNI-OKZBNKHCSA-N 1 1 341.459 0.375 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)nc1 ZINC000995169523 763850912 /nfs/dbraw/zinc/85/09/12/763850912.db2.gz UNXXPOGXCGXFMB-KGLIPLIRSA-N 1 1 339.403 0.275 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4ncccn4n3)C2)CC1 ZINC001052099532 763856953 /nfs/dbraw/zinc/85/69/53/763856953.db2.gz MBDUTKOBDRXACP-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCn3cnccc3=O)C2)CC1 ZINC001052101980 763864990 /nfs/dbraw/zinc/86/49/90/763864990.db2.gz BSMMWXPFLRRHIH-MRXNPFEDSA-N 1 1 345.447 0.038 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCn3cnccc3=O)C2)CC1 ZINC001052101980 763864998 /nfs/dbraw/zinc/86/49/98/763864998.db2.gz BSMMWXPFLRRHIH-MRXNPFEDSA-N 1 1 345.447 0.038 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052105647 763877289 /nfs/dbraw/zinc/87/72/89/763877289.db2.gz NCKJQFLYRQQVSX-GOSISDBHSA-N 1 1 341.459 0.651 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)CC1 ZINC001052106136 763879632 /nfs/dbraw/zinc/87/96/32/763879632.db2.gz CQMNHCBATIAESJ-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)CC1 ZINC001052106136 763879643 /nfs/dbraw/zinc/87/96/43/763879643.db2.gz CQMNHCBATIAESJ-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO CCn1cc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052106945 763882840 /nfs/dbraw/zinc/88/28/40/763882840.db2.gz XLXZIHLZGAIPED-INIZCTEOSA-N 1 1 330.436 0.188 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)CC1 ZINC001052106744 763883329 /nfs/dbraw/zinc/88/33/29/763883329.db2.gz SVAJWFOIRCIJRY-HNNXBMFYSA-N 1 1 332.452 0.532 20 30 ECEDMO CN(C(=O)C1=COCCO1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047287986 763891039 /nfs/dbraw/zinc/89/10/39/763891039.db2.gz HVNFJQLLVZCNSX-HOTGVXAUSA-N 1 1 343.383 0.450 20 30 ECEDMO CN(C(=O)C1=COCCO1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047287986 763891046 /nfs/dbraw/zinc/89/10/46/763891046.db2.gz HVNFJQLLVZCNSX-HOTGVXAUSA-N 1 1 343.383 0.450 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)CC1 ZINC001052117441 763928069 /nfs/dbraw/zinc/92/80/69/763928069.db2.gz NSCMFCBJWRHQBE-KRWDZBQOSA-N 1 1 343.475 0.811 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)CC1 ZINC001052117442 763928812 /nfs/dbraw/zinc/92/88/12/763928812.db2.gz NSCMFCBJWRHQBE-QGZVFWFLSA-N 1 1 343.475 0.811 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C(N)=O)cs3)C2)CC1 ZINC001052122070 763944778 /nfs/dbraw/zinc/94/47/78/763944778.db2.gz MQOISMRWOCEKKP-CQSZACIVSA-N 1 1 348.472 0.865 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052124200 763951849 /nfs/dbraw/zinc/95/18/49/763951849.db2.gz ZQNIGISIWKHAFA-DOTOQJQBSA-N 1 1 331.464 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052124200 763951855 /nfs/dbraw/zinc/95/18/55/763951855.db2.gz ZQNIGISIWKHAFA-DOTOQJQBSA-N 1 1 331.464 0.928 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088863609 763953013 /nfs/dbraw/zinc/95/30/13/763953013.db2.gz NSCMIRJWRCYRTD-VZEFYGNVSA-N 1 1 343.402 0.878 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088863609 763953021 /nfs/dbraw/zinc/95/30/21/763953021.db2.gz NSCMIRJWRCYRTD-VZEFYGNVSA-N 1 1 343.402 0.878 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088864688 763962305 /nfs/dbraw/zinc/96/23/05/763962305.db2.gz ZTOBVOSWTJQVGR-ADDUCUOXSA-N 1 1 344.390 0.898 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088864688 763962308 /nfs/dbraw/zinc/96/23/08/763962308.db2.gz ZTOBVOSWTJQVGR-ADDUCUOXSA-N 1 1 344.390 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2ccncc2C#N)C1 ZINC001052132230 763964238 /nfs/dbraw/zinc/96/42/38/763964238.db2.gz MWSARZYGDRXCCZ-PVARCSIZSA-N 1 1 337.427 0.779 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2ccncc2C#N)C1 ZINC001052132230 763964244 /nfs/dbraw/zinc/96/42/44/763964244.db2.gz MWSARZYGDRXCCZ-PVARCSIZSA-N 1 1 337.427 0.779 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001047324925 764003595 /nfs/dbraw/zinc/00/35/95/764003595.db2.gz ZKZLMMZLMOXUBI-QYZOEREBSA-N 1 1 341.455 0.636 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)C3=COCCO3)CC2)C1=O ZINC001052173758 764006771 /nfs/dbraw/zinc/00/67/71/764006771.db2.gz ZQSPTRGANJAYFT-LSDHHAIUSA-N 1 1 349.431 0.632 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3=CCCC3)C2)C1=O ZINC001047347116 764069052 /nfs/dbraw/zinc/06/90/52/764069052.db2.gz KFQURCJWFZQVHV-PMPSAXMXSA-N 1 1 333.432 0.387 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3=CCCC3)C2)C1=O ZINC001047347116 764069061 /nfs/dbraw/zinc/06/90/61/764069061.db2.gz KFQURCJWFZQVHV-PMPSAXMXSA-N 1 1 333.432 0.387 20 30 ECEDMO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047375227 764151495 /nfs/dbraw/zinc/15/14/95/764151495.db2.gz IYDONDUIEXHKKO-GJZGRUSLSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047375227 764151500 /nfs/dbraw/zinc/15/15/00/764151500.db2.gz IYDONDUIEXHKKO-GJZGRUSLSA-N 1 1 325.372 0.599 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001047379763 764167036 /nfs/dbraw/zinc/16/70/36/764167036.db2.gz MFUXVSUPJBLHEF-IRXDYDNUSA-N 1 1 346.431 0.375 20 30 ECEDMO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047387953 764185090 /nfs/dbraw/zinc/18/50/90/764185090.db2.gz URGGYINMVVCHLQ-DWRORGKVSA-N 1 1 341.411 0.598 20 30 ECEDMO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047387953 764185099 /nfs/dbraw/zinc/18/50/99/764185099.db2.gz URGGYINMVVCHLQ-DWRORGKVSA-N 1 1 341.411 0.598 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)ccc1C#N ZINC001106059265 764199581 /nfs/dbraw/zinc/19/95/81/764199581.db2.gz FYYRAVGGWZSKQD-GJZGRUSLSA-N 1 1 331.420 0.635 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289437 764200367 /nfs/dbraw/zinc/20/03/67/764200367.db2.gz ZERZTLFLLOMRIK-ZDUSSCGKSA-N 1 1 338.433 0.515 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289437 764200373 /nfs/dbraw/zinc/20/03/73/764200373.db2.gz ZERZTLFLLOMRIK-ZDUSSCGKSA-N 1 1 338.433 0.515 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001047393848 764201167 /nfs/dbraw/zinc/20/11/67/764201167.db2.gz YXWWQVPWACCEOH-ULQDDVLXSA-N 1 1 328.412 0.907 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001047393848 764201172 /nfs/dbraw/zinc/20/11/72/764201172.db2.gz YXWWQVPWACCEOH-ULQDDVLXSA-N 1 1 328.412 0.907 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001047394022 764201574 /nfs/dbraw/zinc/20/15/74/764201574.db2.gz GNBDUMOTYQYVPP-KBPBESRZSA-N 1 1 331.376 0.378 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001047394022 764201576 /nfs/dbraw/zinc/20/15/76/764201576.db2.gz GNBDUMOTYQYVPP-KBPBESRZSA-N 1 1 331.376 0.378 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001047397633 764212878 /nfs/dbraw/zinc/21/28/78/764212878.db2.gz BKJFQMALGAIBGX-HOTGVXAUSA-N 1 1 340.379 0.933 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398072 764213893 /nfs/dbraw/zinc/21/38/93/764213893.db2.gz BHJPBZLPYNMDNC-KBMXLJTQSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398072 764213900 /nfs/dbraw/zinc/21/39/00/764213900.db2.gz BHJPBZLPYNMDNC-KBMXLJTQSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)n[nH]2)C1 ZINC001047398527 764216750 /nfs/dbraw/zinc/21/67/50/764216750.db2.gz SRJAOBORCZDJDM-UWVGGRQHSA-N 1 1 329.198 0.475 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)n[nH]2)C1 ZINC001047398527 764216753 /nfs/dbraw/zinc/21/67/53/764216753.db2.gz SRJAOBORCZDJDM-UWVGGRQHSA-N 1 1 329.198 0.475 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 ZINC001047405940 764241377 /nfs/dbraw/zinc/24/13/77/764241377.db2.gz DABFZZAYTFYUOS-RDBSUJKOSA-N 1 1 348.451 0.058 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC001052318635 764242158 /nfs/dbraw/zinc/24/21/58/764242158.db2.gz CGVYOTKMHHRRFH-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 ZINC001047406242 764242300 /nfs/dbraw/zinc/24/23/00/764242300.db2.gz UWHRLXFPRPRCTA-AGIUHOORSA-N 1 1 336.440 0.221 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 ZINC001047406242 764242305 /nfs/dbraw/zinc/24/23/05/764242305.db2.gz UWHRLXFPRPRCTA-AGIUHOORSA-N 1 1 336.440 0.221 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001047408899 764254297 /nfs/dbraw/zinc/25/42/97/764254297.db2.gz IHAGPNKMVDRGBQ-QWRGUYRKSA-N 1 1 332.360 0.540 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001047408899 764254299 /nfs/dbraw/zinc/25/42/99/764254299.db2.gz IHAGPNKMVDRGBQ-QWRGUYRKSA-N 1 1 332.360 0.540 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001047412561 764263601 /nfs/dbraw/zinc/26/36/01/764263601.db2.gz YLMRBZPZOAEIJC-STQMWFEESA-N 1 1 331.372 0.321 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001047412561 764263608 /nfs/dbraw/zinc/26/36/08/764263608.db2.gz YLMRBZPZOAEIJC-STQMWFEESA-N 1 1 331.372 0.321 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001047412930 764265376 /nfs/dbraw/zinc/26/53/76/764265376.db2.gz PNJHRUDLJUNTBM-BXWFABGCSA-N 1 1 349.475 0.763 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001047412688 764265588 /nfs/dbraw/zinc/26/55/88/764265588.db2.gz FWSUBYBLXLHTJD-ROUUACIJSA-N 1 1 346.475 0.614 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001047414068 764268842 /nfs/dbraw/zinc/26/88/42/764268842.db2.gz FYVDMOCZHWXXHB-JYJNAYRXSA-N 1 1 345.447 0.525 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(OC)ccc2OC)C1 ZINC001047415713 764276648 /nfs/dbraw/zinc/27/66/48/764276648.db2.gz JJZNHWDJRJCBFF-HOTGVXAUSA-N 1 1 334.416 0.936 20 30 ECEDMO CCN(CCNc1ncccc1C#N)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106988442 764277336 /nfs/dbraw/zinc/27/73/36/764277336.db2.gz ZLTVZYNWCJYUHM-UKRRQHHQSA-N 1 1 331.420 0.933 20 30 ECEDMO CCN(CCNc1ncccc1C#N)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106988442 764277342 /nfs/dbraw/zinc/27/73/42/764277342.db2.gz ZLTVZYNWCJYUHM-UKRRQHHQSA-N 1 1 331.420 0.933 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)c2nnn(C)n2)C1 ZINC000995274068 764285772 /nfs/dbraw/zinc/28/57/72/764285772.db2.gz PMEYLEWWWUHJTD-HNNXBMFYSA-N 1 1 339.403 0.203 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000995273940 764285843 /nfs/dbraw/zinc/28/58/43/764285843.db2.gz NXNNAYLMLIAMLE-BBWFWOEESA-N 1 1 340.427 0.487 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001047419031 764286805 /nfs/dbraw/zinc/28/68/05/764286805.db2.gz DSHLMOPBLPVKKI-KBPBESRZSA-N 1 1 330.388 0.200 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCN(CC)C2=O)C1 ZINC001032047854 764308589 /nfs/dbraw/zinc/30/85/89/764308589.db2.gz PULCMXNANWNAOY-JYJNAYRXSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(OC)cccc2OC)C1 ZINC001047445692 764369401 /nfs/dbraw/zinc/36/94/01/764369401.db2.gz KGETUYILAFUHIJ-HOTGVXAUSA-N 1 1 346.427 0.773 20 30 ECEDMO CN(C(=O)c1cncn1C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047446725 764372818 /nfs/dbraw/zinc/37/28/18/764372818.db2.gz PMBXPMQELZCKBH-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO CN(C(=O)c1cncn1C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047446725 764372827 /nfs/dbraw/zinc/37/28/27/764372827.db2.gz PMBXPMQELZCKBH-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001047470686 764435458 /nfs/dbraw/zinc/43/54/58/764435458.db2.gz VJHRNTWWDKIJOV-ILXRZTDVSA-N 1 1 348.472 0.639 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@H]1C ZINC001088914928 764438788 /nfs/dbraw/zinc/43/87/88/764438788.db2.gz ZKOHMCYIELHJKH-WCXIOVBPSA-N 1 1 330.432 0.891 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(OC)o3)C2)C1=O ZINC001032069308 764445824 /nfs/dbraw/zinc/44/58/24/764445824.db2.gz KBCXTLPSSAVQPU-CYBMUJFWSA-N 1 1 333.388 0.737 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3onc(C)c32)C1 ZINC001047474930 764449522 /nfs/dbraw/zinc/44/95/22/764449522.db2.gz VSVSADNFGDVIAX-GJZGRUSLSA-N 1 1 342.399 0.980 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3onc(C)c32)C1 ZINC001047474930 764449529 /nfs/dbraw/zinc/44/95/29/764449529.db2.gz VSVSADNFGDVIAX-GJZGRUSLSA-N 1 1 342.399 0.980 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001047479503 764466232 /nfs/dbraw/zinc/46/62/32/764466232.db2.gz PTZFVAUKPXTYKM-KBPBESRZSA-N 1 1 334.420 0.090 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001047479673 764467168 /nfs/dbraw/zinc/46/71/68/764467168.db2.gz UGFGMGPIXOQVGJ-PVAVHDDUSA-N 1 1 341.411 0.639 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001047479725 764467586 /nfs/dbraw/zinc/46/75/86/764467586.db2.gz VXLTYRKBPPEPTM-BPUTZDHNSA-N 1 1 329.400 0.802 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001047479725 764467589 /nfs/dbraw/zinc/46/75/89/764467589.db2.gz VXLTYRKBPPEPTM-BPUTZDHNSA-N 1 1 329.400 0.802 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001052429005 764475927 /nfs/dbraw/zinc/47/59/27/764475927.db2.gz LFHZGNTWVQTRMM-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nncn2C)CC1 ZINC001052456687 764538530 /nfs/dbraw/zinc/53/85/30/764538530.db2.gz IKATVABYZRXNMU-CVEARBPZSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nncn2C)CC1 ZINC001052456687 764538539 /nfs/dbraw/zinc/53/85/39/764538539.db2.gz IKATVABYZRXNMU-CVEARBPZSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc(=O)n(CC)n2)C1 ZINC001089874608 764592464 /nfs/dbraw/zinc/59/24/64/764592464.db2.gz ALMIDALGDUNJCA-JKQORVJESA-N 1 1 340.427 0.679 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3nonc3C)[C@H]2C)C1=O ZINC001088951053 764597175 /nfs/dbraw/zinc/59/71/75/764597175.db2.gz WRAFWPNKDZICOJ-VNHYZAJKSA-N 1 1 347.419 0.286 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3nonc3C)[C@H]2C)C1=O ZINC001088951053 764597180 /nfs/dbraw/zinc/59/71/80/764597180.db2.gz WRAFWPNKDZICOJ-VNHYZAJKSA-N 1 1 347.419 0.286 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001047528800 764605647 /nfs/dbraw/zinc/60/56/47/764605647.db2.gz CPYLRRYQGPUNCJ-IRXDYDNUSA-N 1 1 348.447 0.964 20 30 ECEDMO C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001047529018 764606173 /nfs/dbraw/zinc/60/61/73/764606173.db2.gz NAVNWSRJWZQJME-HOTGVXAUSA-N 1 1 334.420 0.574 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ncccc2C)C[C@@H]1O ZINC001047529406 764607834 /nfs/dbraw/zinc/60/78/34/764607834.db2.gz BHKGHWBRAHELOV-UBDQQSCGSA-N 1 1 345.443 0.985 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1O ZINC001047529406 764607839 /nfs/dbraw/zinc/60/78/39/764607839.db2.gz BHKGHWBRAHELOV-UBDQQSCGSA-N 1 1 345.443 0.985 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1O ZINC001047530255 764610832 /nfs/dbraw/zinc/61/08/32/764610832.db2.gz WFLQQGRPQPWUSV-OWSLCNJRSA-N 1 1 345.443 0.985 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1O ZINC001047530255 764610839 /nfs/dbraw/zinc/61/08/39/764610839.db2.gz WFLQQGRPQPWUSV-OWSLCNJRSA-N 1 1 345.443 0.985 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@H]1C ZINC001088964358 764640501 /nfs/dbraw/zinc/64/05/01/764640501.db2.gz XLXILLQXXUWRGZ-ILXRZTDVSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@H]1C ZINC001088964358 764640505 /nfs/dbraw/zinc/64/05/05/764640505.db2.gz XLXILLQXXUWRGZ-ILXRZTDVSA-N 1 1 326.462 0.804 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001047547819 764656998 /nfs/dbraw/zinc/65/69/98/764656998.db2.gz CUVOZEBDEOSYEJ-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc(C)cnc23)C1 ZINC001047550013 764665915 /nfs/dbraw/zinc/66/59/15/764665915.db2.gz JYVTWUXNPVWRHD-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc(C)cnc23)C1 ZINC001047550013 764665922 /nfs/dbraw/zinc/66/59/22/764665922.db2.gz JYVTWUXNPVWRHD-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001047552801 764673328 /nfs/dbraw/zinc/67/33/28/764673328.db2.gz XCZAGYPRHJYLIB-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001047552801 764673333 /nfs/dbraw/zinc/67/33/33/764673333.db2.gz XCZAGYPRHJYLIB-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc(C(F)(F)F)c2C)C1 ZINC001047553694 764677381 /nfs/dbraw/zinc/67/73/81/764677381.db2.gz RTXMYWOIVMAVPP-QWRGUYRKSA-N 1 1 344.337 0.877 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CC3CCCC3)C[C@@H]2O)nn1 ZINC001047554478 764681076 /nfs/dbraw/zinc/68/10/76/764681076.db2.gz XPGUKVLCZBORPZ-HOTGVXAUSA-N 1 1 333.436 0.771 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001047567339 764712263 /nfs/dbraw/zinc/71/22/63/764712263.db2.gz DULHPNIYLBTYJB-IRXDYDNUSA-N 1 1 342.443 0.822 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001047567339 764712275 /nfs/dbraw/zinc/71/22/75/764712275.db2.gz DULHPNIYLBTYJB-IRXDYDNUSA-N 1 1 342.443 0.822 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@@H]2C)nc1 ZINC001088988070 764712994 /nfs/dbraw/zinc/71/29/94/764712994.db2.gz CYSNRJPQEQQURR-CJNGLKHVSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@@H]2C)nc1 ZINC001088988070 764712995 /nfs/dbraw/zinc/71/29/95/764712995.db2.gz CYSNRJPQEQQURR-CJNGLKHVSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001015483371 764749733 /nfs/dbraw/zinc/74/97/33/764749733.db2.gz WCEIBLBMZYFXEC-GJZGRUSLSA-N 1 1 325.368 0.277 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001015483371 764749738 /nfs/dbraw/zinc/74/97/38/764749738.db2.gz WCEIBLBMZYFXEC-GJZGRUSLSA-N 1 1 325.368 0.277 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]cnc3CC)[C@H]2C)C1=O ZINC001089011426 764767761 /nfs/dbraw/zinc/76/77/61/764767761.db2.gz AIXQSZKTZUJDEC-SNPRPXQTSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3[nH]cnc3CC)[C@H]2C)C1=O ZINC001089011426 764767768 /nfs/dbraw/zinc/76/77/68/764767768.db2.gz AIXQSZKTZUJDEC-SNPRPXQTSA-N 1 1 345.447 0.952 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCN3C)C1 ZINC001047586706 764787919 /nfs/dbraw/zinc/78/79/19/764787919.db2.gz GEPNETPSRQAEFL-ROUUACIJSA-N 1 1 327.428 0.819 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCN3C)C1 ZINC001047586706 764787929 /nfs/dbraw/zinc/78/79/29/764787929.db2.gz GEPNETPSRQAEFL-ROUUACIJSA-N 1 1 327.428 0.819 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccn3cc(C)nc23)C1 ZINC001047589606 764796532 /nfs/dbraw/zinc/79/65/32/764796532.db2.gz MPZMCVFVCYYJEI-KBPBESRZSA-N 1 1 327.388 0.178 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001047591221 764804769 /nfs/dbraw/zinc/80/47/69/764804769.db2.gz RPISOICFUBUEIO-HOTGVXAUSA-N 1 1 345.399 0.000 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001047591221 764804777 /nfs/dbraw/zinc/80/47/77/764804777.db2.gz RPISOICFUBUEIO-HOTGVXAUSA-N 1 1 345.399 0.000 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001047593315 764812568 /nfs/dbraw/zinc/81/25/68/764812568.db2.gz FPPRUDYTMHWYAA-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001047594062 764815046 /nfs/dbraw/zinc/81/50/46/764815046.db2.gz NTHYWNBZLZIJGO-GQGLESIBSA-N 1 1 349.475 0.408 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC001052593939 764817356 /nfs/dbraw/zinc/81/73/56/764817356.db2.gz HTXGVKAKUXCESO-LSDHHAIUSA-N 1 1 343.418 0.946 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001047596987 764824741 /nfs/dbraw/zinc/82/47/41/764824741.db2.gz CONAANJYOSEQCO-KCXAZCMYSA-N 1 1 333.436 0.379 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001047596987 764824745 /nfs/dbraw/zinc/82/47/45/764824745.db2.gz CONAANJYOSEQCO-KCXAZCMYSA-N 1 1 333.436 0.379 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001047596987 764824752 /nfs/dbraw/zinc/82/47/52/764824752.db2.gz CONAANJYOSEQCO-KCXAZCMYSA-N 1 1 333.436 0.379 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001047596987 764824760 /nfs/dbraw/zinc/82/47/60/764824760.db2.gz CONAANJYOSEQCO-KCXAZCMYSA-N 1 1 333.436 0.379 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001047596987 764824767 /nfs/dbraw/zinc/82/47/67/764824767.db2.gz CONAANJYOSEQCO-KCXAZCMYSA-N 1 1 333.436 0.379 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001047598090 764831671 /nfs/dbraw/zinc/83/16/71/764831671.db2.gz UUUHQMBXDZIIJI-BXWFABGCSA-N 1 1 328.412 0.864 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001047598090 764831676 /nfs/dbraw/zinc/83/16/76/764831676.db2.gz UUUHQMBXDZIIJI-BXWFABGCSA-N 1 1 328.412 0.864 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC001047607607 764865211 /nfs/dbraw/zinc/86/52/11/764865211.db2.gz PMUFGENHDZBGHN-IRXDYDNUSA-N 1 1 329.400 0.785 20 30 ECEDMO Cc1cc(NCCOCCN(C)C(=O)C[N@H+](C)C(C)C)c(C#N)cn1 ZINC001127334505 768246685 /nfs/dbraw/zinc/24/66/85/768246685.db2.gz CPPDDZVBQQGAOE-UHFFFAOYSA-N 1 1 347.463 0.911 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001047614873 764888137 /nfs/dbraw/zinc/88/81/37/764888137.db2.gz DBBCEUXMVQKNPG-HOTGVXAUSA-N 1 1 346.427 0.773 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001047614873 764888146 /nfs/dbraw/zinc/88/81/46/764888146.db2.gz DBBCEUXMVQKNPG-HOTGVXAUSA-N 1 1 346.427 0.773 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)NC)n2)C1 ZINC001047615628 764889373 /nfs/dbraw/zinc/88/93/73/764889373.db2.gz XQXCATLMTCOJBK-GJZGRUSLSA-N 1 1 332.404 0.134 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001047618390 764897770 /nfs/dbraw/zinc/89/77/70/764897770.db2.gz FBXWPSYZNPBLHC-ZQIUZPCESA-N 1 1 330.384 0.353 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](NC(=O)C(N)=O)CC2)c1 ZINC001052671165 764971410 /nfs/dbraw/zinc/97/14/10/764971410.db2.gz BGIDRRNJLOUVHM-AWEZNQCLSA-N 1 1 342.399 0.062 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](NC(=O)C(N)=O)CC2)c1 ZINC001052671165 764971418 /nfs/dbraw/zinc/97/14/18/764971418.db2.gz BGIDRRNJLOUVHM-AWEZNQCLSA-N 1 1 342.399 0.062 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001052760807 765075931 /nfs/dbraw/zinc/07/59/31/765075931.db2.gz KCXYJKDQFZEVEI-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(OC)cc(OC)n1 ZINC001017664177 768266267 /nfs/dbraw/zinc/26/62/67/768266267.db2.gz OZGHVYDPFHBKPH-BETUJISGSA-N 1 1 330.388 0.806 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(OC)cc(OC)n1 ZINC001017664177 768266271 /nfs/dbraw/zinc/26/62/71/768266271.db2.gz OZGHVYDPFHBKPH-BETUJISGSA-N 1 1 330.388 0.806 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000992000334 765114695 /nfs/dbraw/zinc/11/46/95/765114695.db2.gz ZXEKIOQIJXJQKY-TZMCWYRMSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786542 765119917 /nfs/dbraw/zinc/11/99/17/765119917.db2.gz XMOQQZFZKFBGDR-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CC3=CCOCC3)C2)C1=O ZINC001015660578 765136275 /nfs/dbraw/zinc/13/62/75/765136275.db2.gz FBEBXMSBMRWTKE-HZPDHXFCSA-N 1 1 333.432 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CC3=CCOCC3)C2)C1=O ZINC001015660578 765136278 /nfs/dbraw/zinc/13/62/78/765136278.db2.gz FBEBXMSBMRWTKE-HZPDHXFCSA-N 1 1 333.432 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c1 ZINC001015678772 765150139 /nfs/dbraw/zinc/15/01/39/765150139.db2.gz NIKIBBCHBFNRDR-CVEARBPZSA-N 1 1 336.399 0.646 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c1 ZINC001015678760 765150528 /nfs/dbraw/zinc/15/05/28/765150528.db2.gz NAEZQFZBNZUHRT-DOTOQJQBSA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001015679647 765151750 /nfs/dbraw/zinc/15/17/50/765151750.db2.gz ITZBVQWEJIQSCF-LRDDRELGSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001015679647 765151752 /nfs/dbraw/zinc/15/17/52/765151752.db2.gz ITZBVQWEJIQSCF-LRDDRELGSA-N 1 1 326.400 0.534 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001052815268 765172972 /nfs/dbraw/zinc/17/29/72/765172972.db2.gz TXFWKYLGXLKQFI-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC1 ZINC001052822576 765183448 /nfs/dbraw/zinc/18/34/48/765183448.db2.gz MOAOSRMWNMMSRT-MRXNPFEDSA-N 1 1 330.432 0.854 20 30 ECEDMO C=CCN1CC[C@H](N2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001015713350 765217720 /nfs/dbraw/zinc/21/77/20/765217720.db2.gz NUVKLRNMQLUGOI-HOTGVXAUSA-N 1 1 348.491 0.696 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)C2)c1 ZINC001015713904 765219212 /nfs/dbraw/zinc/21/92/12/765219212.db2.gz SQKGCOHROOJZIY-CQSZACIVSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)C2)c1 ZINC001015713904 765219216 /nfs/dbraw/zinc/21/92/16/765219216.db2.gz SQKGCOHROOJZIY-CQSZACIVSA-N 1 1 337.383 0.990 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001017670870 768277558 /nfs/dbraw/zinc/27/75/58/768277558.db2.gz KPNUQMRVGVOFBC-BETUJISGSA-N 1 1 339.417 0.792 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000992046271 765275143 /nfs/dbraw/zinc/27/51/43/765275143.db2.gz IWVHXNMRQRFJDV-DNOWBOINSA-N 1 1 343.431 0.853 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000992047088 765277183 /nfs/dbraw/zinc/27/71/83/765277183.db2.gz OSLJSPRMOOAOBA-LXVYMNJGSA-N 1 1 329.404 0.463 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001052877535 765283347 /nfs/dbraw/zinc/28/33/47/765283347.db2.gz PJZOSSBUXCEPBU-KGLIPLIRSA-N 1 1 344.415 0.552 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC001052913389 765333366 /nfs/dbraw/zinc/33/33/66/765333366.db2.gz IWWOMASIOKMSAX-CYBMUJFWSA-N 1 1 334.420 0.311 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C(F)F)C[C@@H](C)O2 ZINC001111532484 765340461 /nfs/dbraw/zinc/34/04/61/765340461.db2.gz YSXQCXRVIREYIZ-GFCCVEGCSA-N 1 1 343.374 0.083 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001015820635 765383801 /nfs/dbraw/zinc/38/38/01/765383801.db2.gz JUDYJYVMBTVTAE-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001015820635 765383813 /nfs/dbraw/zinc/38/38/13/765383813.db2.gz JUDYJYVMBTVTAE-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001052952424 765407952 /nfs/dbraw/zinc/40/79/52/765407952.db2.gz DOQPDXBQYHRZGH-LLVKDONJSA-N 1 1 340.815 0.100 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001052952424 765407960 /nfs/dbraw/zinc/40/79/60/765407960.db2.gz DOQPDXBQYHRZGH-LLVKDONJSA-N 1 1 340.815 0.100 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ccnc3)CC2)C1=O ZINC001052970852 765432977 /nfs/dbraw/zinc/43/29/77/765432977.db2.gz ZVKPMSMYQMDWFO-CVEARBPZSA-N 1 1 345.447 0.641 20 30 ECEDMO Cc1nc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)c[nH]1 ZINC001052987773 765465491 /nfs/dbraw/zinc/46/54/91/765465491.db2.gz RRVAGZDXQSVBMQ-IYBDPMFKSA-N 1 1 342.447 0.995 20 30 ECEDMO Cc1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(CC#N)CC2)[nH]1 ZINC001052987773 765465496 /nfs/dbraw/zinc/46/54/96/765465496.db2.gz RRVAGZDXQSVBMQ-IYBDPMFKSA-N 1 1 342.447 0.995 20 30 ECEDMO Cc1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)[nH]1 ZINC001052987773 765465502 /nfs/dbraw/zinc/46/55/02/765465502.db2.gz RRVAGZDXQSVBMQ-IYBDPMFKSA-N 1 1 342.447 0.995 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cnon3)C2)cc1 ZINC001015876152 765483825 /nfs/dbraw/zinc/48/38/25/765483825.db2.gz GVPMMWDIGISSHS-ZDUSSCGKSA-N 1 1 327.344 0.976 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cnon3)C2)cc1 ZINC001015876152 765483831 /nfs/dbraw/zinc/48/38/31/765483831.db2.gz GVPMMWDIGISSHS-ZDUSSCGKSA-N 1 1 327.344 0.976 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+](CC(N)=O)C3)C2)[nH]1 ZINC001053019331 765492579 /nfs/dbraw/zinc/49/25/79/765492579.db2.gz LYLUWPULJXQVAZ-KBPBESRZSA-N 1 1 343.431 0.936 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)c2nnn(C)n2)C1 ZINC001053093490 765568850 /nfs/dbraw/zinc/56/88/50/765568850.db2.gz NPVZHUKKMFXOGF-GJZGRUSLSA-N 1 1 330.436 0.940 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001053093659 765569528 /nfs/dbraw/zinc/56/95/28/765569528.db2.gz PGVQBYZSUDSJNZ-IRXDYDNUSA-N 1 1 346.475 0.145 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001053115414 765602262 /nfs/dbraw/zinc/60/22/62/765602262.db2.gz PMBXNEFKKORKBW-GJZGRUSLSA-N 1 1 325.453 0.742 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)c1 ZINC001017704396 768308558 /nfs/dbraw/zinc/30/85/58/768308558.db2.gz FTCKBOKCDYLGTA-IYBDPMFKSA-N 1 1 331.416 0.970 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)c1 ZINC001017704396 768308566 /nfs/dbraw/zinc/30/85/66/768308566.db2.gz FTCKBOKCDYLGTA-IYBDPMFKSA-N 1 1 331.416 0.970 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]c(C)n2)c1 ZINC001106096842 765641848 /nfs/dbraw/zinc/64/18/48/765641848.db2.gz RBXCJGXGFAZTMH-OAHLLOKOSA-N 1 1 325.372 0.673 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCNC1=O ZINC001089157564 765642197 /nfs/dbraw/zinc/64/21/97/765642197.db2.gz FEQLBYBLZJNVPE-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccns2)C1 ZINC000992168961 765744762 /nfs/dbraw/zinc/74/47/62/765744762.db2.gz QOQBZIIPKKTLJK-RUXDESIVSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccns2)C1 ZINC000992168961 765744767 /nfs/dbraw/zinc/74/47/67/765744767.db2.gz QOQBZIIPKKTLJK-RUXDESIVSA-N 1 1 346.456 0.865 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001106105433 765762168 /nfs/dbraw/zinc/76/21/68/765762168.db2.gz UGPIHBAVMLTKQQ-JSGCOSHPSA-N 1 1 346.435 0.141 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2C)CC[N@H+]1C ZINC001053209312 765767182 /nfs/dbraw/zinc/76/71/82/765767182.db2.gz HAMREELZUWURLR-KBUPBQIOSA-N 1 1 342.447 0.877 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCCO4)C3)C2)c1 ZINC001053210002 765767749 /nfs/dbraw/zinc/76/77/49/765767749.db2.gz SEYUZQCTJDCUHZ-HNNXBMFYSA-N 1 1 344.415 0.982 20 30 ECEDMO C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263660 765865497 /nfs/dbraw/zinc/86/54/97/765865497.db2.gz UASHZFZPXZRIFD-JKSUJKDBSA-N 1 1 335.448 0.339 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001053264570 765866452 /nfs/dbraw/zinc/86/64/52/765866452.db2.gz PSLRGFUNPQAUNU-ZIAGYGMSSA-N 1 1 327.856 0.992 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001106109111 765871595 /nfs/dbraw/zinc/87/15/95/765871595.db2.gz UGBXLBMBSZLZLZ-HIFRSBDPSA-N 1 1 331.420 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccccn2)C1 ZINC001016178366 765871889 /nfs/dbraw/zinc/87/18/89/765871889.db2.gz QFJVWSZDSXFZAI-DQPZFDDXSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccccn2)C1 ZINC001016178366 765871891 /nfs/dbraw/zinc/87/18/91/765871891.db2.gz QFJVWSZDSXFZAI-DQPZFDDXSA-N 1 1 340.427 0.898 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)C[N@H+]2CCC(C)(C)C2)n1 ZINC001106109358 765876059 /nfs/dbraw/zinc/87/60/59/765876059.db2.gz XHLKFHYEAKDEQX-CQSZACIVSA-N 1 1 346.435 0.278 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cnccn2)C1 ZINC001016197929 765895086 /nfs/dbraw/zinc/89/50/86/765895086.db2.gz VNQWMTOAEXBTIE-XUJLQICISA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cnccn2)C1 ZINC001016197929 765895090 /nfs/dbraw/zinc/89/50/90/765895090.db2.gz VNQWMTOAEXBTIE-XUJLQICISA-N 1 1 341.415 0.293 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C2)c1 ZINC001016214978 765918714 /nfs/dbraw/zinc/91/87/14/765918714.db2.gz XRRLFLQLTBONBS-OAHLLOKOSA-N 1 1 340.383 0.398 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCOC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001053291525 765920054 /nfs/dbraw/zinc/92/00/54/765920054.db2.gz VLOVQDHIXUEJRT-IRXDYDNUSA-N 1 1 347.459 0.034 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)c1cc(C[NH+](C)C)on1)CCO2 ZINC001053321856 765968724 /nfs/dbraw/zinc/96/87/24/765968724.db2.gz PGRAPSOURPBGGZ-UHFFFAOYSA-N 1 1 332.404 0.286 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2noc(CC)n2)[C@H](C)C1 ZINC001106115389 766008551 /nfs/dbraw/zinc/00/85/51/766008551.db2.gz UIKZSSPWJHOTLE-ZIAGYGMSSA-N 1 1 334.420 0.856 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)C2)cc1 ZINC001016271966 766013951 /nfs/dbraw/zinc/01/39/51/766013951.db2.gz IPTFJDIWNGMNQP-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccn3nnnc3c1)CCO2 ZINC001053370344 766046427 /nfs/dbraw/zinc/04/64/27/766046427.db2.gz DNAMFLGZFYRMAS-UHFFFAOYSA-N 1 1 342.403 0.617 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)[C@@H](O)C1 ZINC001083730383 768346671 /nfs/dbraw/zinc/34/66/71/768346671.db2.gz XWKBLPSUEAHIIM-BJJXKVORSA-N 1 1 333.436 0.048 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001053429681 766119285 /nfs/dbraw/zinc/11/92/85/766119285.db2.gz UCPXPJOZMPPGII-TZMCWYRMSA-N 1 1 327.856 0.850 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)C3CCS(=O)(=O)CC3)CCC[C@@H]12 ZINC000992275957 766127327 /nfs/dbraw/zinc/12/73/27/766127327.db2.gz UXKVLMCVUZJDLZ-NVXWUHKLSA-N 1 1 338.473 0.948 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2c[nH]nc2C)C1 ZINC000992278069 766135783 /nfs/dbraw/zinc/13/57/83/766135783.db2.gz ZPKBBPBUYBBEAS-XUJLQICISA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2c[nH]nc2C)C1 ZINC000992278069 766135789 /nfs/dbraw/zinc/13/57/89/766135789.db2.gz ZPKBBPBUYBBEAS-XUJLQICISA-N 1 1 343.431 0.440 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cncn3)nc2)[C@@H](O)C1 ZINC001083685576 766173367 /nfs/dbraw/zinc/17/33/67/766173367.db2.gz ACXVDAVYYOJUDM-KGLIPLIRSA-N 1 1 328.376 0.013 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cncn3)nc2)[C@@H](O)C1 ZINC001083685576 766173370 /nfs/dbraw/zinc/17/33/70/766173370.db2.gz ACXVDAVYYOJUDM-KGLIPLIRSA-N 1 1 328.376 0.013 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(-n2ccnn2)c1 ZINC001017766086 768354510 /nfs/dbraw/zinc/35/45/10/768354510.db2.gz ROEGAJWPBFEUSR-IYBDPMFKSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(-n2ccnn2)c1 ZINC001017766086 768354519 /nfs/dbraw/zinc/35/45/19/768354519.db2.gz ROEGAJWPBFEUSR-IYBDPMFKSA-N 1 1 336.399 0.974 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001016371574 766195286 /nfs/dbraw/zinc/19/52/86/766195286.db2.gz JSRZIKWPCZLZMR-LRVUVFPRSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2-n2cccc2)[C@@H](O)C1 ZINC001083687385 766244178 /nfs/dbraw/zinc/24/41/78/766244178.db2.gz QFQUVUNQJVDDKJ-CABCVRRESA-N 1 1 327.388 0.009 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2-n2cccc2)[C@@H](O)C1 ZINC001083687086 766248373 /nfs/dbraw/zinc/24/83/73/766248373.db2.gz ZQZWPESQHGSRJK-CABCVRRESA-N 1 1 329.404 0.562 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNc1cc(CC)[nH+]c(C)n1 ZINC001106125412 766256861 /nfs/dbraw/zinc/25/68/61/766256861.db2.gz UMYUFCXBWZPFHW-KFWWJZLASA-N 1 1 334.420 0.828 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001016421440 766268256 /nfs/dbraw/zinc/26/82/56/766268256.db2.gz FSQODUFOTBXCPF-YGONEPDPSA-N 1 1 343.431 0.947 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001106126501 766268984 /nfs/dbraw/zinc/26/89/84/766268984.db2.gz MWWFMDQZPDZNJF-LBPRGKRZSA-N 1 1 343.391 0.257 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@H]2C[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC001089253802 766274979 /nfs/dbraw/zinc/27/49/79/766274979.db2.gz QUHXTBODHDCEKG-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 ZINC001053539180 766303240 /nfs/dbraw/zinc/30/32/40/766303240.db2.gz PVZGGNCANLNXDP-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001017781110 768364462 /nfs/dbraw/zinc/36/44/62/768364462.db2.gz BPUUHWGDNHLPAU-OKILXGFUSA-N 1 1 344.415 0.827 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC)C1)O2 ZINC001053606083 766420083 /nfs/dbraw/zinc/42/00/83/766420083.db2.gz HFZIFNFPBCBFCM-CABCVRRESA-N 1 1 333.432 0.228 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251263 766437069 /nfs/dbraw/zinc/43/70/69/766437069.db2.gz UOBBJGWQQUOTHE-BZUAXINKSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc(C)c(C)[nH]c1=O)O2 ZINC001053615774 766439937 /nfs/dbraw/zinc/43/99/37/766439937.db2.gz RMCQGZOCXDCDEV-AWEZNQCLSA-N 1 1 344.415 0.786 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)nn1 ZINC001045862179 766441465 /nfs/dbraw/zinc/44/14/65/766441465.db2.gz UDTNKEYKGMPRLP-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC)nn1 ZINC001045862179 766441467 /nfs/dbraw/zinc/44/14/67/766441467.db2.gz UDTNKEYKGMPRLP-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3nnnn3c1)O2 ZINC001053628390 766473714 /nfs/dbraw/zinc/47/37/14/766473714.db2.gz MTFHCLFOJWETHU-AWEZNQCLSA-N 1 1 340.387 0.111 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001045929613 766500263 /nfs/dbraw/zinc/50/02/63/766500263.db2.gz JHIJHMOVLBTUOE-SFHVURJKSA-N 1 1 343.431 0.951 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)c1 ZINC001045931970 766501573 /nfs/dbraw/zinc/50/15/73/766501573.db2.gz XPZXZUXAWIHLAH-QGZVFWFLSA-N 1 1 329.404 0.690 20 30 ECEDMO O=C(C#CC1CC1)N1CCCC[C@@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001045938025 766509225 /nfs/dbraw/zinc/50/92/25/766509225.db2.gz QLLMXYJKHRBEAC-APWZRJJASA-N 1 1 329.444 0.993 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@@H](C)C(=O)NC)CC3)cn1 ZINC000992409432 766509589 /nfs/dbraw/zinc/50/95/89/766509589.db2.gz MTHYZOGASAWZGK-CRFBAAHOSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001045938809 766510724 /nfs/dbraw/zinc/51/07/24/766510724.db2.gz LQSZZQJPHQZZHC-QGZVFWFLSA-N 1 1 346.435 0.268 20 30 ECEDMO C=CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649743 766512062 /nfs/dbraw/zinc/51/20/62/766512062.db2.gz VLEPWEWDOILNHD-JKSUJKDBSA-N 1 1 337.464 0.631 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001045943360 766514020 /nfs/dbraw/zinc/51/40/20/766514020.db2.gz ILWLBKAKORTAGU-KSSFIOAISA-N 1 1 346.431 0.312 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001045956873 766527345 /nfs/dbraw/zinc/52/73/45/766527345.db2.gz VDTQIEAXZHWGIE-SFHVURJKSA-N 1 1 334.464 0.309 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001045957302 766528832 /nfs/dbraw/zinc/52/88/32/766528832.db2.gz ZOXJMIOOBNDNDT-IBGZPJMESA-N 1 1 348.491 0.699 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)ccc3=O)CCC[C@@H]12 ZINC000992428951 766550498 /nfs/dbraw/zinc/55/04/98/766550498.db2.gz XEWAYSIKDGAOIJ-CRAIPNDOSA-N 1 1 328.416 0.688 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1nc(C)ccc1=O)C2 ZINC001045980159 766552267 /nfs/dbraw/zinc/55/22/67/766552267.db2.gz SDLCCNQWBAGEAR-LJQANCHMSA-N 1 1 342.443 0.890 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(OC)cc[nH]c1=O)O2 ZINC001053690007 766595789 /nfs/dbraw/zinc/59/57/89/766595789.db2.gz DHPXOCPSTGPNSI-ZDUSSCGKSA-N 1 1 345.399 0.782 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(C)c1OC)O2 ZINC001053690423 766596908 /nfs/dbraw/zinc/59/69/08/766596908.db2.gz LHBRHOMADAAXPM-ZDUSSCGKSA-N 1 1 332.404 0.415 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3n[nH]nc3c1)O2 ZINC001053695817 766607147 /nfs/dbraw/zinc/60/71/47/766607147.db2.gz SCVAWFUJRXANPA-CQSZACIVSA-N 1 1 339.399 0.944 20 30 ECEDMO Cc1oncc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011215 766635473 /nfs/dbraw/zinc/63/54/73/766635473.db2.gz APZSXOGFSLEOOW-CJNGLKHVSA-N 1 1 331.420 0.861 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)nn3C)CC2)C1 ZINC001046011225 766636098 /nfs/dbraw/zinc/63/60/98/766636098.db2.gz BBDCBQJIRKLNOJ-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001046011658 766636966 /nfs/dbraw/zinc/63/69/66/766636966.db2.gz FRXDDIWNKPMULK-HZPDHXFCSA-N 1 1 330.436 0.261 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001046012091 766638018 /nfs/dbraw/zinc/63/80/18/766638018.db2.gz LCMHFPIGIWUANS-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO CCn1ccc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046013503 766642636 /nfs/dbraw/zinc/64/26/36/766642636.db2.gz ZKIIZDVGJBPSEC-DOTOQJQBSA-N 1 1 344.463 0.781 20 30 ECEDMO CCn1ccc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046013503 766642641 /nfs/dbraw/zinc/64/26/41/766642641.db2.gz ZKIIZDVGJBPSEC-DOTOQJQBSA-N 1 1 344.463 0.781 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 ZINC000992474393 766661456 /nfs/dbraw/zinc/66/14/56/766661456.db2.gz LVLZUZXDPPTPSF-GUYCJALGSA-N 1 1 334.420 0.618 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CC3OCCCO3)CC2)C1 ZINC001046024500 766676073 /nfs/dbraw/zinc/67/60/73/766676073.db2.gz MFSYMTXBZDQDPY-MRXNPFEDSA-N 1 1 337.464 0.934 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CC3OCCCO3)CC2)C1 ZINC001046024499 766676552 /nfs/dbraw/zinc/67/65/52/766676552.db2.gz MFSYMTXBZDQDPY-INIZCTEOSA-N 1 1 337.464 0.934 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C)nn3)CC2)C1 ZINC001046026094 766681453 /nfs/dbraw/zinc/68/14/53/766681453.db2.gz CQILKDUZYNRNPK-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO Cn1nccc1C[N@H+]1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046027147 766685906 /nfs/dbraw/zinc/68/59/06/766685906.db2.gz IMKCBKHVOLUDTL-SFHVURJKSA-N 1 1 341.459 0.552 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccc(F)cc2)C1 ZINC000994750743 766687010 /nfs/dbraw/zinc/68/70/10/766687010.db2.gz CGMQJXWDXAGDQL-KRWDZBQOSA-N 1 1 343.402 0.793 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccc(F)cc2)C1 ZINC000994750743 766687014 /nfs/dbraw/zinc/68/70/14/766687014.db2.gz CGMQJXWDXAGDQL-KRWDZBQOSA-N 1 1 343.402 0.793 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)C1 ZINC001046029732 766695135 /nfs/dbraw/zinc/69/51/35/766695135.db2.gz AGXWWNRKRVTBLK-JKSUJKDBSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cccnc2)C1 ZINC001016668266 766695397 /nfs/dbraw/zinc/69/53/97/766695397.db2.gz MHBIQJYSACPEEG-JCYILVPMSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cccnc2)C1 ZINC001016668266 766695402 /nfs/dbraw/zinc/69/54/02/766695402.db2.gz MHBIQJYSACPEEG-JCYILVPMSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(Cl)cnn3C)CC2)C1 ZINC001046030662 766698347 /nfs/dbraw/zinc/69/83/47/766698347.db2.gz XIVXQHVVENFBCL-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cncnc2)C1 ZINC001016670419 766700455 /nfs/dbraw/zinc/70/04/55/766700455.db2.gz OKXIQOVYYXXVDA-GPANFISMSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cncnc2)C1 ZINC001016670419 766700456 /nfs/dbraw/zinc/70/04/56/766700456.db2.gz OKXIQOVYYXXVDA-GPANFISMSA-N 1 1 341.415 0.293 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cncc(C(N)=O)c3)CCC[C@@H]12 ZINC000992490449 766701558 /nfs/dbraw/zinc/70/15/58/766701558.db2.gz DJJOQACCWDEXPC-CRAIPNDOSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC23CCCC3)C1 ZINC000994752650 766702625 /nfs/dbraw/zinc/70/26/25/766702625.db2.gz UKIUBVWCZXCUCB-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC23CCCC3)C1 ZINC000994752650 766702633 /nfs/dbraw/zinc/70/26/33/766702633.db2.gz UKIUBVWCZXCUCB-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089626734 766708670 /nfs/dbraw/zinc/70/86/70/766708670.db2.gz DNCLDBRYYIECSF-OCCSQVGLSA-N 1 1 332.408 0.010 20 30 ECEDMO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089626734 766708675 /nfs/dbraw/zinc/70/86/75/766708675.db2.gz DNCLDBRYYIECSF-OCCSQVGLSA-N 1 1 332.408 0.010 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C4CC4)cnn3C)CC2)C1 ZINC001046034757 766716476 /nfs/dbraw/zinc/71/64/76/766716476.db2.gz ZXXGHQDLIRJOTR-MRXNPFEDSA-N 1 1 341.459 0.763 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccn(C)c2C)C1 ZINC000994755832 766721472 /nfs/dbraw/zinc/72/14/72/766721472.db2.gz SIDQQEXHYWYDIS-INIZCTEOSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccn(C)c2C)C1 ZINC000994755832 766721481 /nfs/dbraw/zinc/72/14/81/766721481.db2.gz SIDQQEXHYWYDIS-INIZCTEOSA-N 1 1 328.416 0.372 20 30 ECEDMO C=CCN1CC[C@H](N2CC(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001031715711 766726274 /nfs/dbraw/zinc/72/62/74/766726274.db2.gz YNQXZBMMJHCSQY-IRXDYDNUSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC001046036367 766727004 /nfs/dbraw/zinc/72/70/04/766727004.db2.gz ICTOBJJKBCUEMI-CQSZACIVSA-N 1 1 331.420 0.294 20 30 ECEDMO CNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001089630556 766728772 /nfs/dbraw/zinc/72/87/72/766728772.db2.gz MQTWOXLVBXVMDD-ZDUSSCGKSA-N 1 1 331.420 0.853 20 30 ECEDMO CNC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001089630556 766728775 /nfs/dbraw/zinc/72/87/75/766728775.db2.gz MQTWOXLVBXVMDD-ZDUSSCGKSA-N 1 1 331.420 0.853 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1 ZINC001046036845 766729230 /nfs/dbraw/zinc/72/92/30/766729230.db2.gz HNJKDTYEEQFOBR-GVDBMIGSSA-N 1 1 341.459 0.755 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046036845 766729239 /nfs/dbraw/zinc/72/92/39/766729239.db2.gz HNJKDTYEEQFOBR-GVDBMIGSSA-N 1 1 341.459 0.755 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046036845 766729246 /nfs/dbraw/zinc/72/92/46/766729246.db2.gz HNJKDTYEEQFOBR-GVDBMIGSSA-N 1 1 341.459 0.755 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)ncn3C)CC2)C1 ZINC001046037049 766730811 /nfs/dbraw/zinc/73/08/11/766730811.db2.gz KAFZFENFDPPIQJ-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046037938 766736350 /nfs/dbraw/zinc/73/63/50/766736350.db2.gz CJJVNJMYWWXLCW-QFBILLFUSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncc(OC)c3C)CC2)C1 ZINC001046038056 766736694 /nfs/dbraw/zinc/73/66/94/766736694.db2.gz GNODBZZRRBNKKR-INIZCTEOSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)C1 ZINC001046040171 766745241 /nfs/dbraw/zinc/74/52/41/766745241.db2.gz FWPREMLMEBDELK-SJLPKXTDSA-N 1 1 341.459 0.297 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3coc(OCC)n3)CC2)C1 ZINC001046040923 766749688 /nfs/dbraw/zinc/74/96/88/766749688.db2.gz AKEHYIWHLDGHFV-OAHLLOKOSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2CC)C[C@H]1OC ZINC001212264674 766752905 /nfs/dbraw/zinc/75/29/05/766752905.db2.gz NQQOZBQZVBLREN-FRFSOERESA-N 1 1 349.431 0.899 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2CC)C[C@H]1OC ZINC001212264674 766752909 /nfs/dbraw/zinc/75/29/09/766752909.db2.gz NQQOZBQZVBLREN-FRFSOERESA-N 1 1 349.431 0.899 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC001046042580 766756364 /nfs/dbraw/zinc/75/63/64/766756364.db2.gz JIEQUVKMHVLFRL-KRWDZBQOSA-N 1 1 348.491 0.794 20 30 ECEDMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083704488 766756650 /nfs/dbraw/zinc/75/66/50/766756650.db2.gz PEGALNPYXIPNKR-SJWGOKEGSA-N 1 1 329.400 0.906 20 30 ECEDMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083704488 766756655 /nfs/dbraw/zinc/75/66/55/766756655.db2.gz PEGALNPYXIPNKR-SJWGOKEGSA-N 1 1 329.400 0.906 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]nc3CCC)CC2)C1 ZINC001046043029 766759652 /nfs/dbraw/zinc/75/96/52/766759652.db2.gz RSLMRSUDONQSCM-HNNXBMFYSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC001046043496 766762712 /nfs/dbraw/zinc/76/27/12/766762712.db2.gz AAAFNLDIOFEJLT-KRWDZBQOSA-N 1 1 343.475 0.513 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(Cl)n3C)CC2)C1 ZINC001046043887 766763968 /nfs/dbraw/zinc/76/39/68/766763968.db2.gz MHSPTHNBSQTYRP-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC001046047191 766778089 /nfs/dbraw/zinc/77/80/89/766778089.db2.gz LYHOAUVNGAQMFL-HNNXBMFYSA-N 1 1 344.415 0.234 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC001046047874 766779413 /nfs/dbraw/zinc/77/94/13/766779413.db2.gz ZRVVDPOQPHLUBN-QFBILLFUSA-N 1 1 348.491 0.697 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C(N)=O)nc3)CCC[C@H]12 ZINC000992532546 766788385 /nfs/dbraw/zinc/78/83/85/766788385.db2.gz MPOMVWJFYTUDGD-MAUKXSAKSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn4cccnc34)CC2)C1 ZINC001046051232 766790393 /nfs/dbraw/zinc/79/03/93/766790393.db2.gz ZDWJDKNFFHOUCQ-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001046051650 766791587 /nfs/dbraw/zinc/79/15/87/766791587.db2.gz MBQKHJSOPKCSJH-JKSUJKDBSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC001046051829 766793382 /nfs/dbraw/zinc/79/33/82/766793382.db2.gz PQDBEDZZCNNNLN-MRXNPFEDSA-N 1 1 348.491 0.696 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046056091 766808439 /nfs/dbraw/zinc/80/84/39/766808439.db2.gz UVYIAZYKQVXXHQ-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056864 766812352 /nfs/dbraw/zinc/81/23/52/766812352.db2.gz VKDBJPJTBFTZGO-ZWKOTPCHSA-N 1 1 347.507 0.850 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001046056906 766812892 /nfs/dbraw/zinc/81/28/92/766812892.db2.gz YWOCPUDWXDKHCU-WCVJEAGWSA-N 1 1 339.867 0.850 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001046056906 766812904 /nfs/dbraw/zinc/81/29/04/766812904.db2.gz YWOCPUDWXDKHCU-WCVJEAGWSA-N 1 1 339.867 0.850 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CC3=CCOCC3)CC2)C1 ZINC001046057541 766814788 /nfs/dbraw/zinc/81/47/88/766814788.db2.gz POTQCAIFRNVQRQ-SFHVURJKSA-N 1 1 331.460 0.965 20 30 ECEDMO C=C1CCC(C(=O)N2CCN([C@H]3CC[N@H+]([C@H](C)C(N)=O)C3)CC2)CC1 ZINC001046058121 766817634 /nfs/dbraw/zinc/81/76/34/766817634.db2.gz COCGRBCIOLGEAH-WBVHZDCISA-N 1 1 348.491 0.825 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046059430 766822416 /nfs/dbraw/zinc/82/24/16/766822416.db2.gz GZFRXXCVYRAONB-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046060228 766827035 /nfs/dbraw/zinc/82/70/35/766827035.db2.gz XWMOXTDXOZBCCI-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ccc(C)n3)CC2)C1 ZINC001046062641 766835085 /nfs/dbraw/zinc/83/50/85/766835085.db2.gz HWAPCLSOVRRGKR-KRWDZBQOSA-N 1 1 331.464 0.986 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC001046064426 766844581 /nfs/dbraw/zinc/84/45/81/766844581.db2.gz NIUZIAQDUBHXGX-CYBMUJFWSA-N 1 1 331.420 0.132 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(OC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000994801915 766847237 /nfs/dbraw/zinc/84/72/37/766847237.db2.gz LAWKDPKYPOEOCX-KBPBESRZSA-N 1 1 348.447 0.316 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC001046068043 766861643 /nfs/dbraw/zinc/86/16/43/766861643.db2.gz BJKHMBIKKJNTBI-CQSZACIVSA-N 1 1 331.420 0.503 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C)nc3OC)CC2)C1 ZINC001046068465 766862266 /nfs/dbraw/zinc/86/22/66/766862266.db2.gz LYRNCFLRANIXRL-INIZCTEOSA-N 1 1 342.443 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cn[nH]c3)CC2)C1 ZINC001046068611 766863035 /nfs/dbraw/zinc/86/30/35/766863035.db2.gz PCALJLVBEZHPGZ-KRWDZBQOSA-N 1 1 329.448 0.584 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CCOC)nn1)CO2 ZINC001053797389 766871111 /nfs/dbraw/zinc/87/11/11/766871111.db2.gz ZGVJBFYMKWFMQZ-AWEZNQCLSA-N 1 1 349.435 0.464 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070183 766872594 /nfs/dbraw/zinc/87/25/94/766872594.db2.gz PSXWUPWIXQBVAV-ZDUSSCGKSA-N 1 1 338.843 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070183 766872603 /nfs/dbraw/zinc/87/26/03/766872603.db2.gz PSXWUPWIXQBVAV-ZDUSSCGKSA-N 1 1 338.843 0.400 20 30 ECEDMO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001089651233 766878832 /nfs/dbraw/zinc/87/88/32/766878832.db2.gz VINFZSWPVWQCSC-GFCCVEGCSA-N 1 1 327.392 0.884 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)c3cnn(C)c3)CC2)C1 ZINC001046072576 766883176 /nfs/dbraw/zinc/88/31/76/766883176.db2.gz IRUTYUXDPXSSHB-QGZVFWFLSA-N 1 1 343.475 0.549 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c(C)nnn3CC)C2)C1=O ZINC001031727919 766884583 /nfs/dbraw/zinc/88/45/83/766884583.db2.gz YWHTVTFGTBTUFU-CQSZACIVSA-N 1 1 346.435 0.055 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3cnn(C)c3)CC2)C1 ZINC001046075703 766900399 /nfs/dbraw/zinc/90/03/99/766900399.db2.gz XNQIXKDHLVTEOT-SJLPKXTDSA-N 1 1 343.475 0.450 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046081792 766920237 /nfs/dbraw/zinc/92/02/37/766920237.db2.gz OUENHOJUZIHPHG-IAGOWNOFSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)C1 ZINC001046081934 766920785 /nfs/dbraw/zinc/92/07/85/766920785.db2.gz MHOZHRIJITUZGV-MRXNPFEDSA-N 1 1 329.448 0.421 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3noc4c3COCC4)CC2)C1 ZINC001046085029 766926063 /nfs/dbraw/zinc/92/60/63/766926063.db2.gz CPGRRRWGAVCONE-AWEZNQCLSA-N 1 1 346.431 0.765 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)cn3)CC2)C1 ZINC001046086504 766928498 /nfs/dbraw/zinc/92/84/98/766928498.db2.gz JGZVKDNYYLFPIJ-OAHLLOKOSA-N 1 1 343.431 0.199 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC001046086896 766929887 /nfs/dbraw/zinc/92/98/87/766929887.db2.gz QVVSPTKNNIUCKT-RDJZCZTQSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC001046090397 766932285 /nfs/dbraw/zinc/93/22/85/766932285.db2.gz VIEFZAAUMIMJLS-MRXNPFEDSA-N 1 1 344.463 0.462 20 30 ECEDMO N#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CO2 ZINC001053827397 766956320 /nfs/dbraw/zinc/95/63/20/766956320.db2.gz YJTYOZQNXJBTSF-GOEBONIOSA-N 1 1 348.447 0.113 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3n1CCOC3)CO2 ZINC001053834900 766973948 /nfs/dbraw/zinc/97/39/48/766973948.db2.gz ZPVIXOIPXJYQIJ-ZDUSSCGKSA-N 1 1 332.404 0.563 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000992601077 766980918 /nfs/dbraw/zinc/98/09/18/766980918.db2.gz SJSJLFQKVIMDEB-INIZCTEOSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000992601077 766980928 /nfs/dbraw/zinc/98/09/28/766980928.db2.gz SJSJLFQKVIMDEB-INIZCTEOSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001046155057 766986382 /nfs/dbraw/zinc/98/63/82/766986382.db2.gz JZZBWHKAXNIFOY-MAUKXSAKSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001046155057 766986390 /nfs/dbraw/zinc/98/63/90/766986390.db2.gz JZZBWHKAXNIFOY-MAUKXSAKSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001046155055 766986800 /nfs/dbraw/zinc/98/68/00/766986800.db2.gz JZZBWHKAXNIFOY-CRAIPNDOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001046155055 766986809 /nfs/dbraw/zinc/98/68/09/766986809.db2.gz JZZBWHKAXNIFOY-CRAIPNDOSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cn(C)nc2C)C1 ZINC001031740949 766988024 /nfs/dbraw/zinc/98/80/24/766988024.db2.gz OJEDTEIHKSHMBO-KRWDZBQOSA-N 1 1 329.448 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nnc(C)o2)C1 ZINC001031742882 767005696 /nfs/dbraw/zinc/00/56/96/767005696.db2.gz UTXVSJMLGPDXBP-WFASDCNBSA-N 1 1 331.420 0.585 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nnc(C)o2)C1 ZINC001031742882 767005704 /nfs/dbraw/zinc/00/57/04/767005704.db2.gz UTXVSJMLGPDXBP-WFASDCNBSA-N 1 1 331.420 0.585 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3OCC[C@H]3CC)C2)C1=O ZINC001031743712 767008023 /nfs/dbraw/zinc/00/80/23/767008023.db2.gz GQQUHPJEZAZWRX-OAGGEKHMSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cncnc3C)C2)C1=O ZINC001046168292 767008470 /nfs/dbraw/zinc/00/84/70/767008470.db2.gz JYZBEMWIRUIAAJ-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cncnc3C)C2)C1=O ZINC001046168292 767008480 /nfs/dbraw/zinc/00/84/80/767008480.db2.gz JYZBEMWIRUIAAJ-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)NC ZINC001089692868 767066627 /nfs/dbraw/zinc/06/66/27/767066627.db2.gz CXJPYVNUCNJZEY-KFWWJZLASA-N 1 1 337.464 0.930 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)NC ZINC001089692868 767066635 /nfs/dbraw/zinc/06/66/35/767066635.db2.gz CXJPYVNUCNJZEY-KFWWJZLASA-N 1 1 337.464 0.930 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1 ZINC001016874057 767074066 /nfs/dbraw/zinc/07/40/66/767074066.db2.gz SSIORIFGLOHGKZ-GDBMZVCRSA-N 1 1 338.473 0.948 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046248200 767107129 /nfs/dbraw/zinc/10/71/29/767107129.db2.gz MUMLXRVJWDTKES-MAUKXSAKSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046248200 767107130 /nfs/dbraw/zinc/10/71/30/767107130.db2.gz MUMLXRVJWDTKES-MAUKXSAKSA-N 1 1 341.415 0.867 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000938826080 767124163 /nfs/dbraw/zinc/12/41/63/767124163.db2.gz AWHCZWHBNLFQJI-ULQDDVLXSA-N 1 1 346.475 0.143 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046287027 767128461 /nfs/dbraw/zinc/12/84/61/767128461.db2.gz HUCSLPIQHBXRHT-YOEHRIQHSA-N 1 1 328.372 0.747 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001089735934 767137444 /nfs/dbraw/zinc/13/74/44/767137444.db2.gz RFRVBYMPUGJKEA-ZDUSSCGKSA-N 1 1 346.435 0.007 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001046307607 767138662 /nfs/dbraw/zinc/13/86/62/767138662.db2.gz UCRDSCKUGDHGSU-AWEZNQCLSA-N 1 1 335.448 0.374 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001046311439 767140780 /nfs/dbraw/zinc/14/07/80/767140780.db2.gz BPTQQBWYRKNNPV-UHFFFAOYSA-N 1 1 332.404 0.237 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cn(C)nc3CC)C2)C1=O ZINC001031754346 767153160 /nfs/dbraw/zinc/15/31/60/767153160.db2.gz ZDVWNDLEKWLICW-INIZCTEOSA-N 1 1 345.447 0.431 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001046374766 767178748 /nfs/dbraw/zinc/17/87/48/767178748.db2.gz RNFLYVDCKHDHFM-KSSFIOAISA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001046374766 767178750 /nfs/dbraw/zinc/17/87/50/767178750.db2.gz RNFLYVDCKHDHFM-KSSFIOAISA-N 1 1 344.415 0.674 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001046420448 767208399 /nfs/dbraw/zinc/20/83/99/767208399.db2.gz FMWPLJKCNGOASR-MBNYWOFBSA-N 1 1 334.338 0.937 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CN(C(C)=O)C2)C1 ZINC001089797371 767222092 /nfs/dbraw/zinc/22/20/92/767222092.db2.gz NATVHFIZHIFXQC-DKIMLUQUSA-N 1 1 329.444 0.657 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001046522603 767277347 /nfs/dbraw/zinc/27/73/47/767277347.db2.gz UNDWBFRFVITDEJ-MRXNPFEDSA-N 1 1 344.423 0.854 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046531020 767282370 /nfs/dbraw/zinc/28/23/70/767282370.db2.gz GSZLLVBTGLTQLY-UHFFFAOYSA-N 1 1 348.447 0.319 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001046576347 767321254 /nfs/dbraw/zinc/32/12/54/767321254.db2.gz JJYFYJCANGALAO-GUIRCDHDSA-N 1 1 328.420 0.853 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)nc1COC ZINC001089822922 767339388 /nfs/dbraw/zinc/33/93/88/767339388.db2.gz BFAXBBDYOZKNSI-BORJPKMPSA-N 1 1 342.443 0.982 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001106147255 767369919 /nfs/dbraw/zinc/36/99/19/767369919.db2.gz MNVGOZXPTNHKEW-TZMCWYRMSA-N 1 1 332.408 0.112 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106147462 767370040 /nfs/dbraw/zinc/37/00/40/767370040.db2.gz PATHVSFWINOZIJ-HUUCEWRRSA-N 1 1 331.420 0.717 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924130 767372405 /nfs/dbraw/zinc/37/24/05/767372405.db2.gz LJYYPPORYAJEFZ-HOTGVXAUSA-N 1 1 342.443 0.737 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCCC1=O ZINC001089831352 767394971 /nfs/dbraw/zinc/39/49/71/767394971.db2.gz KXLWQPPNCGMCET-HZMVEIRTSA-N 1 1 329.444 0.801 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ncccc3C#N)C2)O1 ZINC001046647114 767414449 /nfs/dbraw/zinc/41/44/49/767414449.db2.gz LICPEOQYQLZERE-LUYZLQTOSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ncccc3C#N)C2)O1 ZINC001046647114 767414456 /nfs/dbraw/zinc/41/44/56/767414456.db2.gz LICPEOQYQLZERE-LUYZLQTOSA-N 1 1 343.431 0.979 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106169773 767479045 /nfs/dbraw/zinc/47/90/45/767479045.db2.gz LLYUJWAUKAFTGI-JKSUJKDBSA-N 1 1 345.447 0.963 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001046688864 767485008 /nfs/dbraw/zinc/48/50/08/767485008.db2.gz AMZJEGMBROVDDF-CJNGLKHVSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001046688864 767485011 /nfs/dbraw/zinc/48/50/11/767485011.db2.gz AMZJEGMBROVDDF-CJNGLKHVSA-N 1 1 334.424 0.312 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CC[C@@H](C)C1)CO2 ZINC001053976964 767510352 /nfs/dbraw/zinc/51/03/52/767510352.db2.gz KZFQWVNPYSXMNQ-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001046700425 767512465 /nfs/dbraw/zinc/51/24/65/767512465.db2.gz BSISKCWRNTXFSC-UHFFFAOYSA-N 1 1 339.480 0.866 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(OC)cc[nH]c1=O)CO2 ZINC001053982760 767527794 /nfs/dbraw/zinc/52/77/94/767527794.db2.gz BOABKRIGQRUMEW-LBPRGKRZSA-N 1 1 333.388 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3cn[nH]c3)C2)C1=O ZINC001017062198 767530580 /nfs/dbraw/zinc/53/05/80/767530580.db2.gz HLCJFXNAOYUXRG-GDBMZVCRSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)C1=O ZINC001017062199 767530605 /nfs/dbraw/zinc/53/06/05/767530605.db2.gz HLCJFXNAOYUXRG-GOEBONIOSA-N 1 1 345.447 0.981 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001046739357 767567273 /nfs/dbraw/zinc/56/72/73/767567273.db2.gz MGNNVCQJRWOSEQ-WMLDXEAASA-N 1 1 331.420 0.532 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3oncc3C)C2)C1=O ZINC001046745615 767578888 /nfs/dbraw/zinc/57/88/88/767578888.db2.gz POOJHCSWILCHNO-CXAGYDPISA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3oncc3C)C2)C1=O ZINC001046745615 767578894 /nfs/dbraw/zinc/57/88/94/767578894.db2.gz POOJHCSWILCHNO-CXAGYDPISA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1=O ZINC001031050688 767647977 /nfs/dbraw/zinc/64/79/77/767647977.db2.gz UEOXCUYWFZINRZ-IAGOWNOFSA-N 1 1 348.491 0.837 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001054052024 767651442 /nfs/dbraw/zinc/65/14/42/767651442.db2.gz NGYBSCIQKAICTP-CVEARBPZSA-N 1 1 326.400 0.234 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001017159662 767665526 /nfs/dbraw/zinc/66/55/26/767665526.db2.gz ARKUTHJJHGCXBD-KBPBESRZSA-N 1 1 332.448 0.985 20 30 ECEDMO C=CCCNCc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780488 767683273 /nfs/dbraw/zinc/68/32/73/767683273.db2.gz WQZLYDJWFDTHOT-HOCLYGCPSA-N 1 1 332.452 0.669 20 30 ECEDMO C=CCCNCc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780488 767683278 /nfs/dbraw/zinc/68/32/78/767683278.db2.gz WQZLYDJWFDTHOT-HOCLYGCPSA-N 1 1 332.452 0.669 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001060476442 767688359 /nfs/dbraw/zinc/68/83/59/767688359.db2.gz OMEYWLPQZRWHNP-XOBFJNJYSA-N 1 1 326.404 0.097 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(CCOC)nn1)C2 ZINC001054129202 767722809 /nfs/dbraw/zinc/72/28/09/767722809.db2.gz MJGXCBZCCHOWFV-GOSISDBHSA-N 1 1 345.447 0.876 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)C2 ZINC001054142176 767737879 /nfs/dbraw/zinc/73/78/79/767737879.db2.gz XZQAEVBAOUGQBB-VQIMIIECSA-N 1 1 349.475 0.982 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCS1(=O)=O)C2 ZINC001054144337 767738604 /nfs/dbraw/zinc/73/86/04/767738604.db2.gz TYOUAGRUMWQMMH-RDJZCZTQSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCS1(=O)=O)C2 ZINC001054144337 767738606 /nfs/dbraw/zinc/73/86/06/767738606.db2.gz TYOUAGRUMWQMMH-RDJZCZTQSA-N 1 1 338.473 0.901 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001054155755 767751081 /nfs/dbraw/zinc/75/10/81/767751081.db2.gz ZAWBICUEYOZCMP-IBGZPJMESA-N 1 1 348.491 0.651 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054160305 767757034 /nfs/dbraw/zinc/75/70/34/767757034.db2.gz BGTPNJFFFHBPKJ-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054160305 767757037 /nfs/dbraw/zinc/75/70/37/767757037.db2.gz BGTPNJFFFHBPKJ-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001054160512 767758828 /nfs/dbraw/zinc/75/88/28/767758828.db2.gz HPRGVZJUGUVYRP-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001054166696 767764173 /nfs/dbraw/zinc/76/41/73/767764173.db2.gz HGTZURJKKICMHE-SFHVURJKSA-N 1 1 345.447 0.310 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001054207098 767804388 /nfs/dbraw/zinc/80/43/88/767804388.db2.gz SAWXCOIYAGPTIN-SUMWQHHRSA-N 1 1 334.420 0.475 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001054214424 767812876 /nfs/dbraw/zinc/81/28/76/767812876.db2.gz XEOJCBKUICGUDQ-SFHVURJKSA-N 1 1 331.416 0.377 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c(C)cc(C)nc1=O)C2 ZINC001054217661 767821953 /nfs/dbraw/zinc/82/19/53/767821953.db2.gz AZZDCIIZYKQSPZ-IBGZPJMESA-N 1 1 342.443 0.808 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001054236657 767845796 /nfs/dbraw/zinc/84/57/96/767845796.db2.gz LQOXBXZPSOJPPG-RDTXWAMCSA-N 1 1 348.447 0.865 20 30 ECEDMO C=CCC[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001031086368 767848081 /nfs/dbraw/zinc/84/80/81/767848081.db2.gz QHHXSAKABIBPFR-DOTOQJQBSA-N 1 1 328.416 0.978 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001054903168 768404892 /nfs/dbraw/zinc/40/48/92/768404892.db2.gz IHNGSNZTJHAMAU-CBBWQLFWSA-N 1 1 326.404 0.668 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccnc(C#N)n2)C1 ZINC001106540101 768420008 /nfs/dbraw/zinc/42/00/08/768420008.db2.gz WQMOJTGZWALHBD-KBPBESRZSA-N 1 1 346.435 0.186 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccnc(C#N)n2)C1 ZINC001106540101 768420012 /nfs/dbraw/zinc/42/00/12/768420012.db2.gz WQMOJTGZWALHBD-KBPBESRZSA-N 1 1 346.435 0.186 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993207529 768482282 /nfs/dbraw/zinc/48/22/82/768482282.db2.gz MXZVGONGTQKPMW-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993207529 768482284 /nfs/dbraw/zinc/48/22/84/768482284.db2.gz MXZVGONGTQKPMW-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1ccnc(C#N)n1 ZINC001106628466 768528009 /nfs/dbraw/zinc/52/80/09/768528009.db2.gz XMHWFRMGZKBCPK-KBPBESRZSA-N 1 1 326.404 0.174 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1ccnc(C#N)n1 ZINC001106628466 768528011 /nfs/dbraw/zinc/52/80/11/768528011.db2.gz XMHWFRMGZKBCPK-KBPBESRZSA-N 1 1 326.404 0.174 20 30 ECEDMO C[C@H](CCNc1nccnc1C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106641688 768545166 /nfs/dbraw/zinc/54/51/66/768545166.db2.gz CMHYUACKXIQRDN-YRGRVCCFSA-N 1 1 332.408 0.374 20 30 ECEDMO C[C@H](CCNc1nccnc1C#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106641688 768545168 /nfs/dbraw/zinc/54/51/68/768545168.db2.gz CMHYUACKXIQRDN-YRGRVCCFSA-N 1 1 332.408 0.374 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001018069256 768683934 /nfs/dbraw/zinc/68/39/34/768683934.db2.gz NTJRAQIOUZJLTA-OKILXGFUSA-N 1 1 332.404 0.178 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001018095331 768716322 /nfs/dbraw/zinc/71/63/22/768716322.db2.gz IZRNUZOPYCJTPG-BETUJISGSA-N 1 1 332.404 0.990 20 30 ECEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268815 768725295 /nfs/dbraw/zinc/72/52/95/768725295.db2.gz RYWLDYYYMJPICD-OWCLPIDISA-N 1 1 349.475 0.836 20 30 ECEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268815 768725298 /nfs/dbraw/zinc/72/52/98/768725298.db2.gz RYWLDYYYMJPICD-OWCLPIDISA-N 1 1 349.475 0.836 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001055294123 768747768 /nfs/dbraw/zinc/74/77/68/768747768.db2.gz IHNGSNZTJHAMAU-APIJFGDWSA-N 1 1 326.404 0.668 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001055313308 768768563 /nfs/dbraw/zinc/76/85/63/768768563.db2.gz KYFAXNFICHXXNF-DAYGRLMNSA-N 1 1 346.431 0.435 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001018142201 768791719 /nfs/dbraw/zinc/79/17/19/768791719.db2.gz JHJIUERCSINVQU-BETUJISGSA-N 1 1 334.420 0.568 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055338537 768795254 /nfs/dbraw/zinc/79/52/54/768795254.db2.gz VQEPWTMRLLOIMD-YESZJQIVSA-N 1 1 347.459 0.285 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001055340192 768797877 /nfs/dbraw/zinc/79/78/77/768797877.db2.gz OMSZJQYLDKMOML-OAGGEKHMSA-N 1 1 344.415 0.147 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N ZINC001055340939 768798239 /nfs/dbraw/zinc/79/82/39/768798239.db2.gz ZYDXZGKOZHRWMT-NFAWXSAZSA-N 1 1 337.387 0.779 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001055378598 768835514 /nfs/dbraw/zinc/83/55/14/768835514.db2.gz XFJQGSCXMUVKAY-IYBDPMFKSA-N 1 1 346.431 0.701 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001055379771 768836624 /nfs/dbraw/zinc/83/66/24/768836624.db2.gz RQOFCTLWQJXJCC-NCOADZHNSA-N 1 1 349.475 0.694 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@]2(C)C1 ZINC000993352717 768846774 /nfs/dbraw/zinc/84/67/74/768846774.db2.gz JFYHTPJHZYWKOP-QEORTHHSSA-N 1 1 329.404 0.658 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 ZINC001055416294 768876867 /nfs/dbraw/zinc/87/68/67/768876867.db2.gz VEWCXNOTXVDWBP-KFWWJZLASA-N 1 1 337.387 0.779 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001018214782 768899503 /nfs/dbraw/zinc/89/95/03/768899503.db2.gz WMEVHACCDMBRCF-LZWOXQAQSA-N 1 1 341.477 0.710 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CC[NH+](CCNC(=O)C(F)F)CC2)[nH]1 ZINC001055479159 768900015 /nfs/dbraw/zinc/90/00/15/768900015.db2.gz JTIPTPHEWVTBGM-UHFFFAOYSA-N 1 1 339.346 0.462 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001106773183 768912496 /nfs/dbraw/zinc/91/24/96/768912496.db2.gz KKQXSDZLHJRHPX-AWEZNQCLSA-N 1 1 332.408 0.329 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001106773183 768912503 /nfs/dbraw/zinc/91/25/03/768912503.db2.gz KKQXSDZLHJRHPX-AWEZNQCLSA-N 1 1 332.408 0.329 20 30 ECEDMO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cnccn2)CC1 ZINC001055502539 768954338 /nfs/dbraw/zinc/95/43/38/768954338.db2.gz GRSYBYWLCDQCAS-UHFFFAOYSA-N 1 1 345.447 0.999 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C[C@@H]21 ZINC001042067525 782709252 /nfs/dbraw/zinc/70/92/52/782709252.db2.gz QRQGMKBXVAYPOS-KBPBESRZSA-N 1 1 346.435 0.266 20 30 ECEDMO C=C(C)CCC(=O)NC1CC[NH+](CCNC(=O)c2cnnn2C)CC1 ZINC001055568783 769138149 /nfs/dbraw/zinc/13/81/49/769138149.db2.gz INZDUKOIKQTRFM-UHFFFAOYSA-N 1 1 348.451 0.482 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc[nH]n3)C2)CC1 ZINC001018360241 769192662 /nfs/dbraw/zinc/19/26/62/769192662.db2.gz VMHGRPFBLKSYFM-HNNXBMFYSA-N 1 1 345.447 0.982 20 30 ECEDMO COCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CC1 ZINC001018363499 769203124 /nfs/dbraw/zinc/20/31/24/769203124.db2.gz NJCPOKIEMYSBQM-QGZVFWFLSA-N 1 1 347.459 0.429 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H]1C ZINC000993536692 769240077 /nfs/dbraw/zinc/24/00/77/769240077.db2.gz WZXMKZRHBSNPIJ-UONOGXRCSA-N 1 1 342.403 0.926 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622763 769281925 /nfs/dbraw/zinc/28/19/25/769281925.db2.gz YKMSKOZNDMGVQR-CHWSQXEVSA-N 1 1 349.435 0.838 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622766 769282197 /nfs/dbraw/zinc/28/21/97/769282197.db2.gz YKMSKOZNDMGVQR-STQMWFEESA-N 1 1 349.435 0.838 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001055630951 769301536 /nfs/dbraw/zinc/30/15/36/769301536.db2.gz AVYCNIXRYWODFO-CABCVRRESA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001055630951 769301549 /nfs/dbraw/zinc/30/15/49/769301549.db2.gz AVYCNIXRYWODFO-CABCVRRESA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2n[nH]cc2F)CC1 ZINC001055638001 769320906 /nfs/dbraw/zinc/32/09/06/769320906.db2.gz JUILLTUHGZTWPS-UHFFFAOYSA-N 1 1 349.410 0.519 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2-n2cnnn2)[C@H]1C ZINC000993566361 769326867 /nfs/dbraw/zinc/32/68/67/769326867.db2.gz KHCJVVWMALZSMH-VXGBXAGGSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2-n2cnnn2)[C@H]1C ZINC000993566361 769326870 /nfs/dbraw/zinc/32/68/70/769326870.db2.gz KHCJVVWMALZSMH-VXGBXAGGSA-N 1 1 330.417 0.940 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001055645223 769336459 /nfs/dbraw/zinc/33/64/59/769336459.db2.gz ONLIZEBJDUCDJS-LSDHHAIUSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001055645223 769336469 /nfs/dbraw/zinc/33/64/69/769336469.db2.gz ONLIZEBJDUCDJS-LSDHHAIUSA-N 1 1 349.479 0.327 20 30 ECEDMO Cc1ccc(C#N)c(N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001055751354 769597760 /nfs/dbraw/zinc/59/77/60/769597760.db2.gz XBSYWRQEPDRBTL-OAHLLOKOSA-N 1 1 329.404 0.241 20 30 ECEDMO Cc1ccc(C#N)c(N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001055751354 769597767 /nfs/dbraw/zinc/59/77/67/769597767.db2.gz XBSYWRQEPDRBTL-OAHLLOKOSA-N 1 1 329.404 0.241 20 30 ECEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCS(N)(=O)=O)C2 ZINC001111528200 769661356 /nfs/dbraw/zinc/66/13/56/769661356.db2.gz VWCKVRYAPMTJBA-MCIONIFRSA-N 1 1 329.466 0.743 20 30 ECEDMO CC(C)n1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078359788 782771805 /nfs/dbraw/zinc/77/18/05/782771805.db2.gz DUAJFTBLHFWOOS-OLZOCXBDSA-N 1 1 335.412 0.121 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1C1CC1 ZINC001078360074 782772993 /nfs/dbraw/zinc/77/29/93/782772993.db2.gz KSOBLDVYIWCPLQ-WFASDCNBSA-N 1 1 346.435 0.788 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)c3cnc(C)[nH]3)C2)CC1 ZINC000993855678 769764925 /nfs/dbraw/zinc/76/49/25/769764925.db2.gz SQIBGXGRGGFULR-UHFFFAOYSA-N 1 1 329.404 0.004 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000993864000 769766252 /nfs/dbraw/zinc/76/62/52/769766252.db2.gz HRHXVFYTMINUDW-XPKDYRNWSA-N 1 1 343.431 0.805 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001007156757 769869597 /nfs/dbraw/zinc/86/95/97/769869597.db2.gz PELYVJWPULNGIL-OAHLLOKOSA-N 1 1 341.419 0.989 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001055831796 769892475 /nfs/dbraw/zinc/89/24/75/769892475.db2.gz VHZFAMDMAVXJEF-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCOCCNc1ccnc(C#N)n1 ZINC001127403877 769893219 /nfs/dbraw/zinc/89/32/19/769893219.db2.gz RXFPBPQXFUQVKT-UHFFFAOYSA-N 1 1 348.451 0.387 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055836932 769916658 /nfs/dbraw/zinc/91/66/58/769916658.db2.gz HYSNJGHRNDVMRZ-CRAIPNDOSA-N 1 1 335.448 0.354 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)C[C@@H]21 ZINC001042110416 782790585 /nfs/dbraw/zinc/79/05/85/782790585.db2.gz WJHIJWBGQMMYMH-GJZGRUSLSA-N 1 1 338.415 0.992 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)n1 ZINC001055851258 769969066 /nfs/dbraw/zinc/96/90/66/769969066.db2.gz RFPVUSKHDINYJZ-UHFFFAOYSA-N 1 1 344.419 0.028 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 ZINC001042120355 782803733 /nfs/dbraw/zinc/80/37/33/782803733.db2.gz SKEUKIPWLBYMMD-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CCOC3)C2)C1 ZINC001018861293 770123974 /nfs/dbraw/zinc/12/39/74/770123974.db2.gz MQRCOOFNEDKSII-HOTGVXAUSA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CCOC3)C2)C1 ZINC001018861293 770123977 /nfs/dbraw/zinc/12/39/77/770123977.db2.gz MQRCOOFNEDKSII-HOTGVXAUSA-N 1 1 345.443 0.181 20 30 ECEDMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCCO2)nn1 ZINC001078382733 782816338 /nfs/dbraw/zinc/81/63/38/782816338.db2.gz KXHKFNOSWSTJPH-AWEZNQCLSA-N 1 1 343.391 0.036 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1C ZINC000994192953 770282617 /nfs/dbraw/zinc/28/26/17/770282617.db2.gz IEUVXWORFBOIFZ-FPCVCCKLSA-N 1 1 335.448 0.330 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1C ZINC000994192953 770282623 /nfs/dbraw/zinc/28/26/23/770282623.db2.gz IEUVXWORFBOIFZ-FPCVCCKLSA-N 1 1 335.448 0.330 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@](CO)(NC(=O)C#CC3CC3)C2)C1 ZINC001055939197 770294341 /nfs/dbraw/zinc/29/43/41/770294341.db2.gz UBIMTRRBXFBFDG-VQIMIIECSA-N 1 1 347.459 0.211 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)C#CC(C)(C)C)C1 ZINC001055940345 770298635 /nfs/dbraw/zinc/29/86/35/770298635.db2.gz LZTCAQTYBLFIGV-HNAYVOBHSA-N 1 1 349.475 0.600 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001055953512 770347102 /nfs/dbraw/zinc/34/71/02/770347102.db2.gz FJBWJTMJLCHVNV-CRAIPNDOSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055965889 770389723 /nfs/dbraw/zinc/38/97/23/770389723.db2.gz AHCABLRVJQALLD-MDZRGWNJSA-N 1 1 349.475 0.600 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)[C@@H]2C)nc1 ZINC000994252393 770440693 /nfs/dbraw/zinc/44/06/93/770440693.db2.gz LHPGNZRRFRNBCE-UKRRQHHQSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)[C@@H]2C)nc1 ZINC000994252393 770440695 /nfs/dbraw/zinc/44/06/95/770440695.db2.gz LHPGNZRRFRNBCE-UKRRQHHQSA-N 1 1 328.416 0.734 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@H]1C ZINC001106872445 770466291 /nfs/dbraw/zinc/46/62/91/770466291.db2.gz SYWVXAFYVITQMM-RBSFLKMASA-N 1 1 345.447 0.244 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@H]1C ZINC001106872445 770466298 /nfs/dbraw/zinc/46/62/98/770466298.db2.gz SYWVXAFYVITQMM-RBSFLKMASA-N 1 1 345.447 0.244 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001055990886 770476523 /nfs/dbraw/zinc/47/65/23/770476523.db2.gz DQFIXSIJBZVNPB-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001055990886 770476529 /nfs/dbraw/zinc/47/65/29/770476529.db2.gz DQFIXSIJBZVNPB-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2nnc(C)o2)C1 ZINC001018986219 770485274 /nfs/dbraw/zinc/48/52/74/770485274.db2.gz WGQIYIDLSSMKEJ-SNPRPXQTSA-N 1 1 331.420 0.727 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2nnc(C)o2)C1 ZINC001018986219 770485280 /nfs/dbraw/zinc/48/52/80/770485280.db2.gz WGQIYIDLSSMKEJ-SNPRPXQTSA-N 1 1 331.420 0.727 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@@H]21 ZINC001042143335 782844787 /nfs/dbraw/zinc/84/47/87/782844787.db2.gz WWVWIAXWOQVRCC-PBHICJAKSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001056032625 770620282 /nfs/dbraw/zinc/62/02/82/770620282.db2.gz ODZWVKPWUCLCFS-GOSISDBHSA-N 1 1 337.464 0.601 20 30 ECEDMO Cc1ccc(C#N)c(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001056072347 770752217 /nfs/dbraw/zinc/75/22/17/770752217.db2.gz UEDGQOXWUOGLGL-GDBMZVCRSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1ccc(C#N)c(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001056072347 770752222 /nfs/dbraw/zinc/75/22/22/770752222.db2.gz UEDGQOXWUOGLGL-GDBMZVCRSA-N 1 1 343.431 0.629 20 30 ECEDMO C=CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001056084900 770793514 /nfs/dbraw/zinc/79/35/14/770793514.db2.gz BALWEIRLVLEZFZ-CRAIPNDOSA-N 1 1 337.464 0.764 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)C#CC(C)C)C1 ZINC001056123035 770876327 /nfs/dbraw/zinc/87/63/27/770876327.db2.gz KXJFOWPTBCTMHY-GOSISDBHSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001056124455 770883217 /nfs/dbraw/zinc/88/32/17/770883217.db2.gz MNAYFBHABPNIIK-LPHOPBHVSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)OC)C2 ZINC001019142853 770913319 /nfs/dbraw/zinc/91/33/19/770913319.db2.gz BYTKLFPUYZLTGF-CABCVRRESA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)OC)C2 ZINC001019142853 770913324 /nfs/dbraw/zinc/91/33/24/770913324.db2.gz BYTKLFPUYZLTGF-CABCVRRESA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C(F)F)C2 ZINC001019142972 770914787 /nfs/dbraw/zinc/91/47/87/770914787.db2.gz GPJUWCJIJKOWSR-LBPRGKRZSA-N 1 1 325.359 0.410 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C(F)F)C2 ZINC001019142972 770914793 /nfs/dbraw/zinc/91/47/93/770914793.db2.gz GPJUWCJIJKOWSR-LBPRGKRZSA-N 1 1 325.359 0.410 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCCO1)C2 ZINC001019143854 770917714 /nfs/dbraw/zinc/91/77/14/770917714.db2.gz UIDXYZMPKGPWTM-HOTGVXAUSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCCO1)C2 ZINC001019143854 770917719 /nfs/dbraw/zinc/91/77/19/770917719.db2.gz UIDXYZMPKGPWTM-HOTGVXAUSA-N 1 1 345.443 0.324 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)c3cc(CCC)[nH]n3)C2)C1=O ZINC001019219486 771015338 /nfs/dbraw/zinc/01/53/38/771015338.db2.gz XDFXELDIVRNWGU-GJZGRUSLSA-N 1 1 345.447 0.953 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001056227120 771020098 /nfs/dbraw/zinc/02/00/98/771020098.db2.gz HBEZUMGFCGYVSH-RZFFKMDDSA-N 1 1 326.404 0.159 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001031439130 771073687 /nfs/dbraw/zinc/07/36/87/771073687.db2.gz CKVXKTBHJJQUTF-CVEARBPZSA-N 1 1 334.464 0.448 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]21 ZINC001042179440 782898059 /nfs/dbraw/zinc/89/80/59/782898059.db2.gz MBWHNLFYCDUWHT-CVEARBPZSA-N 1 1 342.443 0.957 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(n4cnnn4)CCCCC3)C[C@@H]21 ZINC001042185798 782906921 /nfs/dbraw/zinc/90/69/21/782906921.db2.gz XRZQSHVZVNTMEU-CVEARBPZSA-N 1 1 342.447 0.889 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001056461129 771296022 /nfs/dbraw/zinc/29/60/22/771296022.db2.gz UEPASCINNBQWLP-DLTWYDFYSA-N 1 1 325.416 0.988 20 30 ECEDMO CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C#CC(C)C ZINC001212240916 771353359 /nfs/dbraw/zinc/35/33/59/771353359.db2.gz GEKXCOBDEGDKJP-MCIONIFRSA-N 1 1 330.375 0.885 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C#CC(C)C ZINC001212240916 771353365 /nfs/dbraw/zinc/35/33/65/771353365.db2.gz GEKXCOBDEGDKJP-MCIONIFRSA-N 1 1 330.375 0.885 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001060733788 771372566 /nfs/dbraw/zinc/37/25/66/771372566.db2.gz YOEYHWWGBCOWJN-WCXIOVBPSA-N 1 1 349.475 0.768 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC(C)(C)C1 ZINC001089506914 771375054 /nfs/dbraw/zinc/37/50/54/771375054.db2.gz MHPPFLAYEMTYQJ-STQMWFEESA-N 1 1 336.436 0.767 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC(C)(C)C1 ZINC001089541400 771426150 /nfs/dbraw/zinc/42/61/50/771426150.db2.gz KABYZVRSAWHTEN-CYBMUJFWSA-N 1 1 336.436 0.673 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC(C)(C)C1 ZINC001089552144 771465192 /nfs/dbraw/zinc/46/51/92/771465192.db2.gz MEGGQVZHKOYKHE-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)CC(C)(C)C1 ZINC001089554541 771465901 /nfs/dbraw/zinc/46/59/01/771465901.db2.gz WNCLGKRYZHQXPI-AWEZNQCLSA-N 1 1 333.432 0.766 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)CC(C)(C)C1 ZINC001089555075 771470575 /nfs/dbraw/zinc/47/05/75/771470575.db2.gz HQKPFPTZZYQTHQ-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001056654409 771474815 /nfs/dbraw/zinc/47/48/15/771474815.db2.gz QKUUTTVWHPKSCH-GVDBMIGSSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001056654409 771474817 /nfs/dbraw/zinc/47/48/17/771474817.db2.gz QKUUTTVWHPKSCH-GVDBMIGSSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)CC(C)(C)C1 ZINC001089558208 771481374 /nfs/dbraw/zinc/48/13/74/771481374.db2.gz FUUNQWPFCQFKEV-CQSZACIVSA-N 1 1 340.431 0.907 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089562054 771498550 /nfs/dbraw/zinc/49/85/50/771498550.db2.gz WFCWOVCYUHAOJK-UONOGXRCSA-N 1 1 341.477 0.308 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001056689450 771517514 /nfs/dbraw/zinc/51/75/14/771517514.db2.gz UBVRSYCQRCRVSH-YESZJQIVSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(F)cn3)C2)C1=O ZINC001031626823 771522617 /nfs/dbraw/zinc/52/26/17/771522617.db2.gz WPDBFEDDZGNKBO-OAHLLOKOSA-N 1 1 332.379 0.669 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)CC(C)(C)C1 ZINC001089566631 771525429 /nfs/dbraw/zinc/52/54/29/771525429.db2.gz PKZGVCYVEFSZAY-CQSZACIVSA-N 1 1 332.448 0.968 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)C2CCN(C(=O)C3(C)CC3)CC2)C1=O ZINC001089572576 771543260 /nfs/dbraw/zinc/54/32/60/771543260.db2.gz TZVSVJPYUGYILB-INIZCTEOSA-N 1 1 349.475 0.859 20 30 ECEDMO CC(=O)N1CC(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001031635838 771557479 /nfs/dbraw/zinc/55/74/79/771557479.db2.gz BBCVRVWLZIBZQJ-UHFFFAOYSA-N 1 1 332.429 0.646 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](N(C)c2nc(C)cc(C#N)n2)C1 ZINC001056926449 771815714 /nfs/dbraw/zinc/81/57/14/771815714.db2.gz HRVHRSCKDFYVPP-HNNXBMFYSA-N 1 1 339.403 0.899 20 30 ECEDMO CN(c1nccnc1C#N)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056942370 771840426 /nfs/dbraw/zinc/84/04/26/771840426.db2.gz WWDWPGLFNUSABC-KBPBESRZSA-N 1 1 328.420 0.727 20 30 ECEDMO CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001056949270 771852918 /nfs/dbraw/zinc/85/29/18/771852918.db2.gz GISAXUQXXVQSJT-QAPCUYQASA-N 1 1 340.431 0.871 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC)[C@@H]3C2)c1 ZINC001042234720 782964673 /nfs/dbraw/zinc/96/46/73/782964673.db2.gz XVCWZUVDXVKWPT-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC)[C@@H]3C2)c1 ZINC001042234720 782964676 /nfs/dbraw/zinc/96/46/76/782964676.db2.gz XVCWZUVDXVKWPT-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001057006288 771936625 /nfs/dbraw/zinc/93/66/25/771936625.db2.gz PCOUNAUZKVKWHE-KBPBESRZSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(CC)CC ZINC001057035237 771974191 /nfs/dbraw/zinc/97/41/91/771974191.db2.gz AKHITEXZBCQDRG-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(CC)CC ZINC001057035237 771974193 /nfs/dbraw/zinc/97/41/93/771974193.db2.gz AKHITEXZBCQDRG-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057142157 772155266 /nfs/dbraw/zinc/15/52/66/772155266.db2.gz QIAFURLRBDZVHD-UHFFFAOYSA-N 1 1 325.376 0.592 20 30 ECEDMO N#Cc1cnc(N2CCCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)cn1 ZINC001057162585 772197223 /nfs/dbraw/zinc/19/72/23/772197223.db2.gz LXCLXDBDGUXKJA-SFHVURJKSA-N 1 1 340.431 0.873 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001020159957 772229364 /nfs/dbraw/zinc/22/93/64/772229364.db2.gz ARFLFQCFMVXFLS-GUTXKFCHSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C)C1 ZINC001020160233 772229997 /nfs/dbraw/zinc/22/99/97/772229997.db2.gz NGAXIYVBHYEWQV-IPYPFGDCSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCn1cccc1C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057214311 772291447 /nfs/dbraw/zinc/29/14/47/772291447.db2.gz XWFANGVXPIMZOV-MRXNPFEDSA-N 1 1 348.447 0.319 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)C1 ZINC001020248163 772347495 /nfs/dbraw/zinc/34/74/95/772347495.db2.gz IVENRRVIPCBTMN-BHYGNILZSA-N 1 1 347.459 0.615 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)C1 ZINC001020248163 772347501 /nfs/dbraw/zinc/34/75/01/772347501.db2.gz IVENRRVIPCBTMN-BHYGNILZSA-N 1 1 347.459 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H](C)c2nnc(C)o2)C1 ZINC001020250302 772349707 /nfs/dbraw/zinc/34/97/07/772349707.db2.gz AKZHGWJMRIKQTN-NGFQHRJXSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H](C)c2nnc(C)o2)C1 ZINC001020250302 772349713 /nfs/dbraw/zinc/34/97/13/772349713.db2.gz AKZHGWJMRIKQTN-NGFQHRJXSA-N 1 1 331.420 0.773 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C)nn1 ZINC001020269233 772376228 /nfs/dbraw/zinc/37/62/28/772376228.db2.gz LHEZPZBWOUWVAP-KCQAQPDRSA-N 1 1 346.435 0.278 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001078471796 783014834 /nfs/dbraw/zinc/01/48/34/783014834.db2.gz DVFSLNWTQOOCQE-KFWWJZLASA-N 1 1 349.435 0.113 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001057390307 772558787 /nfs/dbraw/zinc/55/87/87/772558787.db2.gz WKNSYVQLFZIEOK-JKSUJKDBSA-N 1 1 337.464 0.315 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001057390914 772559685 /nfs/dbraw/zinc/55/96/85/772559685.db2.gz VAEWIGLEQLYMSF-UHFFFAOYSA-N 1 1 334.420 0.322 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(Nc2ccncc2C#N)CC1 ZINC001057426715 772601292 /nfs/dbraw/zinc/60/12/92/772601292.db2.gz FFIZELXAJQLXGW-CZUORRHYSA-N 1 1 327.432 0.976 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001057536353 772731661 /nfs/dbraw/zinc/73/16/61/772731661.db2.gz UIKTVJNKJBQDCZ-OAHLLOKOSA-N 1 1 344.415 0.111 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(CNc2ccnc(C#N)n2)CC1 ZINC001057542179 772737946 /nfs/dbraw/zinc/73/79/46/772737946.db2.gz MFRMNPKXWNWKCJ-CQSZACIVSA-N 1 1 342.447 0.905 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057642011 772852564 /nfs/dbraw/zinc/85/25/64/772852564.db2.gz IABIQVOTMIHTBM-QGZVFWFLSA-N 1 1 336.436 0.731 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057643794 772855541 /nfs/dbraw/zinc/85/55/41/772855541.db2.gz LMFMSTJYMORQNK-UHFFFAOYSA-N 1 1 334.420 0.322 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001057770270 772971743 /nfs/dbraw/zinc/97/17/43/772971743.db2.gz WXCDDNAAIPZAHM-QLFBSQMISA-N 1 1 342.447 0.903 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057812143 773015101 /nfs/dbraw/zinc/01/51/01/773015101.db2.gz VDUXFBDTQIESCN-DZGCQCFKSA-N 1 1 342.447 0.879 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC001057821382 773030936 /nfs/dbraw/zinc/03/09/36/773030936.db2.gz CLBMMDBCYMBTKB-CVEARBPZSA-N 1 1 349.475 0.315 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001076832253 783066307 /nfs/dbraw/zinc/06/63/07/783066307.db2.gz BCSHXTRRSYPMLL-GJZGRUSLSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001076832253 783066311 /nfs/dbraw/zinc/06/63/11/783066311.db2.gz BCSHXTRRSYPMLL-GJZGRUSLSA-N 1 1 335.448 0.522 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)C[N@@H+](C)C(C)C ZINC001057863291 773087887 /nfs/dbraw/zinc/08/78/87/773087887.db2.gz MGYQIABKGBCMMU-QGZVFWFLSA-N 1 1 327.469 0.866 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057885081 773130623 /nfs/dbraw/zinc/13/06/23/773130623.db2.gz CIQNUVGOCVSFLO-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001057920575 773186469 /nfs/dbraw/zinc/18/64/69/773186469.db2.gz WSOUTRIQNBWPDI-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057945680 773245559 /nfs/dbraw/zinc/24/55/59/773245559.db2.gz CNAUMRVVWGKIHC-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(c2cncc(C#N)n2)CC1 ZINC001057945741 773245661 /nfs/dbraw/zinc/24/56/61/773245661.db2.gz FPPPLPXROFPMBF-IUODEOHRSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C=C/C(C)(C)C ZINC001057961042 773290382 /nfs/dbraw/zinc/29/03/82/773290382.db2.gz GUMWMPXLHPZHHF-FDMDGMSGSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C=C/C(C)(C)C ZINC001057961042 773290387 /nfs/dbraw/zinc/29/03/87/773290387.db2.gz GUMWMPXLHPZHHF-FDMDGMSGSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(CC)CC ZINC001057961112 773290451 /nfs/dbraw/zinc/29/04/51/773290451.db2.gz JNILEMGVIJDHAC-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(CC)CC ZINC001057961112 773290455 /nfs/dbraw/zinc/29/04/55/773290455.db2.gz JNILEMGVIJDHAC-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040612477 783100979 /nfs/dbraw/zinc/10/09/79/783100979.db2.gz DHWMDVDCKOWUSR-GPMSIDNRSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058111098 773554946 /nfs/dbraw/zinc/55/49/46/773554946.db2.gz KQJBGSXYNVWBOY-UHFFFAOYSA-N 1 1 336.436 0.731 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058167491 773683228 /nfs/dbraw/zinc/68/32/28/773683228.db2.gz DXNSTEWTPNHAOA-CABCVRRESA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058167491 773683231 /nfs/dbraw/zinc/68/32/31/773683231.db2.gz DXNSTEWTPNHAOA-CABCVRRESA-N 1 1 344.419 0.154 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058241683 773830131 /nfs/dbraw/zinc/83/01/31/773830131.db2.gz XCSXDDZTCANCLT-UONOGXRCSA-N 1 1 328.420 0.918 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058252719 773846365 /nfs/dbraw/zinc/84/63/65/773846365.db2.gz UJAKZXOCWNFVDB-UHFFFAOYSA-N 1 1 339.480 0.705 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058304242 773939146 /nfs/dbraw/zinc/93/91/46/773939146.db2.gz ZIVBBANSHVSONE-KGLIPLIRSA-N 1 1 325.453 0.333 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058317128 773961701 /nfs/dbraw/zinc/96/17/01/773961701.db2.gz PBRQSLCBOIIYLT-OCCSQVGLSA-N 1 1 333.367 0.118 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058317128 773961707 /nfs/dbraw/zinc/96/17/07/773961707.db2.gz PBRQSLCBOIIYLT-OCCSQVGLSA-N 1 1 333.367 0.118 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3snc(C)c3C#N)C2)C1 ZINC001058376311 774060314 /nfs/dbraw/zinc/06/03/14/774060314.db2.gz JXJQCDONWLQIGX-TZMCWYRMSA-N 1 1 349.460 0.739 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3snc(C)c3C#N)C2)C1 ZINC001058376311 774060322 /nfs/dbraw/zinc/06/03/22/774060322.db2.gz JXJQCDONWLQIGX-TZMCWYRMSA-N 1 1 349.460 0.739 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058381324 774067709 /nfs/dbraw/zinc/06/77/09/774067709.db2.gz DSBQSYFONAFVCJ-CABCVRRESA-N 1 1 328.420 0.918 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001058435692 774175792 /nfs/dbraw/zinc/17/57/92/774175792.db2.gz PCAALFKUAJBLEQ-HUUCEWRRSA-N 1 1 327.469 0.724 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058447401 774200269 /nfs/dbraw/zinc/20/02/69/774200269.db2.gz WUWXIQKCSFRJEW-DZGCQCFKSA-N 1 1 328.420 0.916 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001039858201 783200371 /nfs/dbraw/zinc/20/03/71/783200371.db2.gz MAEHMMGFKKWUBD-CLCXKQKWSA-N 1 1 349.475 0.763 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(c3nccnc3C#N)[C@H]2C1 ZINC001044940974 774748933 /nfs/dbraw/zinc/74/89/33/774748933.db2.gz CAQIMHAXOLOCHV-BPUTZDHNSA-N 1 1 340.431 0.870 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001044962887 774772493 /nfs/dbraw/zinc/77/24/93/774772493.db2.gz QWHPEYFFOZFLQF-QWRGUYRKSA-N 1 1 326.351 0.783 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001044962754 774772564 /nfs/dbraw/zinc/77/25/64/774772564.db2.gz PWAJXCIKONVULZ-QWRGUYRKSA-N 1 1 343.391 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001045040073 774884314 /nfs/dbraw/zinc/88/43/14/774884314.db2.gz XJIAHEJFYWOQOR-GJZGRUSLSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001045040073 774884324 /nfs/dbraw/zinc/88/43/24/774884324.db2.gz XJIAHEJFYWOQOR-GJZGRUSLSA-N 1 1 347.459 0.210 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001045044149 774891313 /nfs/dbraw/zinc/89/13/13/774891313.db2.gz YREWIJVLABPCOR-MJBXVCDLSA-N 1 1 334.424 0.272 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043909675 775285667 /nfs/dbraw/zinc/28/56/67/775285667.db2.gz LGAZRKFYZOOHBR-INIZCTEOSA-N 1 1 334.420 0.483 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001070021238 790351478 /nfs/dbraw/zinc/35/14/78/790351478.db2.gz ODVBHZRZZASBCR-HIFRSBDPSA-N 1 1 342.403 0.208 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001070021238 790351486 /nfs/dbraw/zinc/35/14/86/790351486.db2.gz ODVBHZRZZASBCR-HIFRSBDPSA-N 1 1 342.403 0.208 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](n2ccnn2)C1 ZINC001070023135 790357809 /nfs/dbraw/zinc/35/78/09/790357809.db2.gz CSTXGMCOUQOTME-CABCVRRESA-N 1 1 342.403 0.919 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](n2ccnn2)C1 ZINC001070023135 790357821 /nfs/dbraw/zinc/35/78/21/790357821.db2.gz CSTXGMCOUQOTME-CABCVRRESA-N 1 1 342.403 0.919 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070026758 790373668 /nfs/dbraw/zinc/37/36/68/790373668.db2.gz GZMIPGYMJRKVIL-BARDWOONSA-N 1 1 346.435 0.097 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070026758 790373684 /nfs/dbraw/zinc/37/36/84/790373684.db2.gz GZMIPGYMJRKVIL-BARDWOONSA-N 1 1 346.435 0.097 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070027668 790377519 /nfs/dbraw/zinc/37/75/19/790377519.db2.gz UKMVYSXPYYZFPT-CABCVRRESA-N 1 1 329.408 0.401 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070027668 790377525 /nfs/dbraw/zinc/37/75/25/790377525.db2.gz UKMVYSXPYYZFPT-CABCVRRESA-N 1 1 329.408 0.401 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 ZINC001045551898 775781545 /nfs/dbraw/zinc/78/15/45/775781545.db2.gz NPRKCQLIUBQJRS-ZIAGYGMSSA-N 1 1 336.436 0.098 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CCC=C)CCOCC1 ZINC001070033109 790396317 /nfs/dbraw/zinc/39/63/17/790396317.db2.gz LBBXVJFSNUQFTC-INIZCTEOSA-N 1 1 347.459 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CCC=C)CCOCC1 ZINC001070033109 790396332 /nfs/dbraw/zinc/39/63/32/790396332.db2.gz LBBXVJFSNUQFTC-INIZCTEOSA-N 1 1 347.459 0.832 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)C1=O ZINC001044236975 775955930 /nfs/dbraw/zinc/95/59/30/775955930.db2.gz CVFOMIOCQRTDKB-APWZRJJASA-N 1 1 346.475 0.402 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)CCC)O2 ZINC001068496547 790407864 /nfs/dbraw/zinc/40/78/64/790407864.db2.gz GMZHTQSGNYQWDM-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)CCC)O2 ZINC001068496547 790407866 /nfs/dbraw/zinc/40/78/66/790407866.db2.gz GMZHTQSGNYQWDM-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CC3(CO2)CCN(CC#N)CC3)CC[N@H+]1C ZINC001045672211 776012245 /nfs/dbraw/zinc/01/22/45/776012245.db2.gz NLSFHWHYJBFDFS-BZUAXINKSA-N 1 1 334.464 0.837 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CC[N@H+](C)CCC)C2)C1 ZINC001044290890 776068153 /nfs/dbraw/zinc/06/81/53/776068153.db2.gz IWRBNLIZLUYMQK-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCCNC2=O)c[nH]1 ZINC001045758535 776150290 /nfs/dbraw/zinc/15/02/90/776150290.db2.gz YFWGHODBPLDKKC-OWCLPIDISA-N 1 1 341.415 0.844 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070042019 790428339 /nfs/dbraw/zinc/42/83/39/790428339.db2.gz UVPPEQIQAVCVJJ-HNNXBMFYSA-N 1 1 333.432 0.276 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001070046743 790442075 /nfs/dbraw/zinc/44/20/75/790442075.db2.gz MDBHATMWDODUCG-CABCVRRESA-N 1 1 329.408 0.726 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001044550602 776422936 /nfs/dbraw/zinc/42/29/36/776422936.db2.gz PIZNDPVZHZMEIC-ZYHUDNBSSA-N 1 1 328.380 0.193 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079772045 776837662 /nfs/dbraw/zinc/83/76/62/776837662.db2.gz DEZKKQCWTSGADG-MRXNPFEDSA-N 1 1 335.448 0.570 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn(CCC)nn2)[C@@H](n2ccnn2)C1 ZINC001070065983 790491618 /nfs/dbraw/zinc/49/16/18/790491618.db2.gz NCDRDLYBQBPUDC-HIFRSBDPSA-N 1 1 344.423 0.511 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(CCC)nn2)[C@@H](n2ccnn2)C1 ZINC001070065983 790491625 /nfs/dbraw/zinc/49/16/25/790491625.db2.gz NCDRDLYBQBPUDC-HIFRSBDPSA-N 1 1 344.423 0.511 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)Cn1nccn1 ZINC001079774005 776844018 /nfs/dbraw/zinc/84/40/18/776844018.db2.gz KHXQXWZMOPDIMD-MLGOLLRUSA-N 1 1 342.378 0.926 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)Cn1nccn1 ZINC001079774005 776844028 /nfs/dbraw/zinc/84/40/28/776844028.db2.gz KHXQXWZMOPDIMD-MLGOLLRUSA-N 1 1 342.378 0.926 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001079806218 776909618 /nfs/dbraw/zinc/90/96/18/776909618.db2.gz WZDCSCBYRONKME-QGZVFWFLSA-N 1 1 334.420 0.578 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC001068532944 790495486 /nfs/dbraw/zinc/49/54/86/790495486.db2.gz ITAXVOWATOGEAF-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 ZINC001079827518 776946646 /nfs/dbraw/zinc/94/66/46/776946646.db2.gz FNOKXFQPGRNJBK-MGPQQGTHSA-N 1 1 332.452 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1C ZINC001079878277 777011678 /nfs/dbraw/zinc/01/16/78/777011678.db2.gz PVAJKLQRUSQYOK-YUELXQCFSA-N 1 1 331.420 0.412 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1C ZINC001079878277 777011685 /nfs/dbraw/zinc/01/16/85/777011685.db2.gz PVAJKLQRUSQYOK-YUELXQCFSA-N 1 1 331.420 0.412 20 30 ECEDMO CCN(C(=O)C[N@@H+](C)C(C)C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001079929461 777100147 /nfs/dbraw/zinc/10/01/47/777100147.db2.gz GQSUPGFPEVNUKG-UHFFFAOYSA-N 1 1 331.420 0.899 20 30 ECEDMO CCN(C(=O)C[N@@H+](C)C(C)C)C1CN(C(=O)CSCC#N)C1 ZINC001079929648 777101756 /nfs/dbraw/zinc/10/17/56/777101756.db2.gz SLBISWBSQDNPAM-UHFFFAOYSA-N 1 1 326.466 0.643 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001079947726 777129452 /nfs/dbraw/zinc/12/94/52/777129452.db2.gz LCELHAKXIQZELR-QLFBSQMISA-N 1 1 330.432 0.918 20 30 ECEDMO CCN(C(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)CSCC#N)C1 ZINC001079965914 777165495 /nfs/dbraw/zinc/16/54/95/777165495.db2.gz DRHSSJBQRJWVGF-UHFFFAOYSA-N 1 1 338.477 0.787 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001080009074 777221119 /nfs/dbraw/zinc/22/11/19/777221119.db2.gz OZYQBRCKEHBFMW-RDJZCZTQSA-N 1 1 345.443 0.182 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001080009074 777221127 /nfs/dbraw/zinc/22/11/27/777221127.db2.gz OZYQBRCKEHBFMW-RDJZCZTQSA-N 1 1 345.443 0.182 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CO[C@H](C)CC)C1 ZINC001080008861 777221256 /nfs/dbraw/zinc/22/12/56/777221256.db2.gz GNVZJXJJPQDOAE-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CO[C@H](C)CC)C1 ZINC001080008861 777221264 /nfs/dbraw/zinc/22/12/64/777221264.db2.gz GNVZJXJJPQDOAE-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001070076317 790523043 /nfs/dbraw/zinc/52/30/43/790523043.db2.gz KWXZEYIBCANHNB-KGLIPLIRSA-N 1 1 343.435 0.897 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001070076317 790523049 /nfs/dbraw/zinc/52/30/49/790523049.db2.gz KWXZEYIBCANHNB-KGLIPLIRSA-N 1 1 343.435 0.897 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070083980 790545308 /nfs/dbraw/zinc/54/53/08/790545308.db2.gz VEIMMSUBJNIXRP-KFWWJZLASA-N 1 1 346.435 0.255 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070083980 790545314 /nfs/dbraw/zinc/54/53/14/790545314.db2.gz VEIMMSUBJNIXRP-KFWWJZLASA-N 1 1 346.435 0.255 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O ZINC001080287941 777648531 /nfs/dbraw/zinc/64/85/31/777648531.db2.gz BWWJNKRZSUYHMD-BPQIPLTHSA-N 1 1 339.439 0.953 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O ZINC001080287941 777648537 /nfs/dbraw/zinc/64/85/37/777648537.db2.gz BWWJNKRZSUYHMD-BPQIPLTHSA-N 1 1 339.439 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2ccco2)C1 ZINC001080335058 777705542 /nfs/dbraw/zinc/70/55/42/777705542.db2.gz PLAGHCUEEFKSMO-KRWDZBQOSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2ccco2)C1 ZINC001080335058 777705551 /nfs/dbraw/zinc/70/55/51/777705551.db2.gz PLAGHCUEEFKSMO-KRWDZBQOSA-N 1 1 343.427 0.979 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1Nc1ccc(C#N)cn1 ZINC001043105143 777735142 /nfs/dbraw/zinc/73/51/42/777735142.db2.gz WVSYCKCTBOBCAQ-YUELXQCFSA-N 1 1 329.404 0.543 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1Nc1ccc(C#N)cn1 ZINC001043105143 777735150 /nfs/dbraw/zinc/73/51/50/777735150.db2.gz WVSYCKCTBOBCAQ-YUELXQCFSA-N 1 1 329.404 0.543 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001080415711 777819239 /nfs/dbraw/zinc/81/92/39/777819239.db2.gz BPOQOEZYBFWYOQ-UKRRQHHQSA-N 1 1 346.435 0.032 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001080471007 777905010 /nfs/dbraw/zinc/90/50/10/777905010.db2.gz JTOUHPPKLXBRFF-DZUCGIPZSA-N 1 1 345.443 0.913 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043187892 777913464 /nfs/dbraw/zinc/91/34/64/777913464.db2.gz XSULWTLOULGIDG-GOEBONIOSA-N 1 1 349.475 0.642 20 30 ECEDMO C=C1CC(C)(C(=O)N(CC)C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001080497688 777938516 /nfs/dbraw/zinc/93/85/16/777938516.db2.gz QLTLUFYYXBNAKC-HNNXBMFYSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N(CC)C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001080497688 777938524 /nfs/dbraw/zinc/93/85/24/777938524.db2.gz QLTLUFYYXBNAKC-HNNXBMFYSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001043206784 777959043 /nfs/dbraw/zinc/95/90/43/777959043.db2.gz DLPYCBMOUBSCBK-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](n2ccnn2)C1 ZINC001070093792 790580666 /nfs/dbraw/zinc/58/06/66/790580666.db2.gz HTNRHVWOFPOIKD-CABCVRRESA-N 1 1 340.387 0.218 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](n2ccnn2)C1 ZINC001070093792 790580676 /nfs/dbraw/zinc/58/06/76/790580676.db2.gz HTNRHVWOFPOIKD-CABCVRRESA-N 1 1 340.387 0.218 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080559398 778033456 /nfs/dbraw/zinc/03/34/56/778033456.db2.gz DUKYKGBCNPEDOM-OIISXLGYSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@H+](C)CCC)C1 ZINC001080574612 778068392 /nfs/dbraw/zinc/06/83/92/778068392.db2.gz JSXVJKVDORHOIC-CVEARBPZSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)nn1 ZINC001080578929 778084089 /nfs/dbraw/zinc/08/40/89/778084089.db2.gz GYMLTOAJRWHLBB-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2C)nn1 ZINC001080580450 778086006 /nfs/dbraw/zinc/08/60/06/778086006.db2.gz ZSBWHORZZNVTIP-QLFBSQMISA-N 1 1 333.436 0.941 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2C)nn1 ZINC001080584692 778091508 /nfs/dbraw/zinc/09/15/08/778091508.db2.gz KQAAPZQUWGLWQN-UKRRQHHQSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2C)nn1 ZINC001080584692 778091515 /nfs/dbraw/zinc/09/15/15/778091515.db2.gz KQAAPZQUWGLWQN-UKRRQHHQSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2C)nn1 ZINC001080589581 778101422 /nfs/dbraw/zinc/10/14/22/778101422.db2.gz AFLCGEXPIHEOQT-HUUCEWRRSA-N 1 1 343.435 0.801 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC001068570901 790600023 /nfs/dbraw/zinc/60/00/23/790600023.db2.gz FKZQZHFIEPQVJF-CVEARBPZSA-N 1 1 347.459 0.474 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[C@H](CNC(=O)C#CC2CC2)O3)C1 ZINC001068571242 790600733 /nfs/dbraw/zinc/60/07/33/790600733.db2.gz KEOKWIAHWZWZLH-HZPDHXFCSA-N 1 1 345.443 0.228 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)[C@@H](n2ccnn2)C1 ZINC001070102237 790612257 /nfs/dbraw/zinc/61/22/57/790612257.db2.gz XRHYZLHSKKCGNE-MAZHCROVSA-N 1 1 341.419 0.334 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)[C@@H](n2ccnn2)C1 ZINC001070102237 790612265 /nfs/dbraw/zinc/61/22/65/790612265.db2.gz XRHYZLHSKKCGNE-MAZHCROVSA-N 1 1 341.419 0.334 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1Nc1ncccc1C#N ZINC001043595823 778563672 /nfs/dbraw/zinc/56/36/72/778563672.db2.gz GYFOBGGHIOGAGQ-RRCSTGOVSA-N 1 1 343.431 0.931 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1Nc1ncccc1C#N ZINC001043595823 778563677 /nfs/dbraw/zinc/56/36/77/778563677.db2.gz GYFOBGGHIOGAGQ-RRCSTGOVSA-N 1 1 343.431 0.931 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043613366 778594661 /nfs/dbraw/zinc/59/46/61/778594661.db2.gz TUMRTAVSWAYWCG-UHFFFAOYSA-N 1 1 337.464 0.600 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NCC2(NC(=O)C#CC3CC3)CCOCC2)C1 ZINC001070112055 790643571 /nfs/dbraw/zinc/64/35/71/790643571.db2.gz KWGCUDPGCGXLMT-MRXNPFEDSA-N 1 1 347.459 0.523 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 ZINC001068589253 790646552 /nfs/dbraw/zinc/64/65/52/790646552.db2.gz RHPZXZFZGYUHGW-PWNZVWSESA-N 1 1 328.420 0.853 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001043769806 778841229 /nfs/dbraw/zinc/84/12/29/778841229.db2.gz IRNQJMYLZMYAMQ-AWEZNQCLSA-N 1 1 335.448 0.517 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070121798 790680810 /nfs/dbraw/zinc/68/08/10/790680810.db2.gz BFMSKQXVKKJZMH-OAHLLOKOSA-N 1 1 335.448 0.523 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC001068620162 790727308 /nfs/dbraw/zinc/72/73/08/790727308.db2.gz IENOZMVCHDAOGE-UKRRQHHQSA-N 1 1 348.447 0.507 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@H](C)C#N)O2 ZINC001068622735 790738974 /nfs/dbraw/zinc/73/89/74/790738974.db2.gz KFIVGKKWQVNQRH-ZIAGYGMSSA-N 1 1 336.436 0.362 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001042272060 779954085 /nfs/dbraw/zinc/95/40/85/779954085.db2.gz KSDLDZWJPSYGAH-RYUDHWBXSA-N 1 1 340.811 0.214 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001042272060 779954089 /nfs/dbraw/zinc/95/40/89/779954089.db2.gz KSDLDZWJPSYGAH-RYUDHWBXSA-N 1 1 340.811 0.214 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3(N4CCOCC4)CCC3)C[C@@H]21 ZINC001042295516 780012519 /nfs/dbraw/zinc/01/25/19/780012519.db2.gz SDCUIZSKMXSKSE-IRXDYDNUSA-N 1 1 331.460 0.797 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC001042301435 780023306 /nfs/dbraw/zinc/02/33/06/780023306.db2.gz IBFWCQYONFCFPG-ZIAGYGMSSA-N 1 1 346.431 0.263 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@@H]21 ZINC001042310539 780046804 /nfs/dbraw/zinc/04/68/04/780046804.db2.gz UGBSIEVCOIZKKD-CJNGLKHVSA-N 1 1 338.415 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001042316438 780060190 /nfs/dbraw/zinc/06/01/90/780060190.db2.gz MKPAWQWKHISZOO-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001042316438 780060195 /nfs/dbraw/zinc/06/01/95/780060195.db2.gz MKPAWQWKHISZOO-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C(=O)NC)n3)C[C@@H]21 ZINC001042325412 780074690 /nfs/dbraw/zinc/07/46/90/780074690.db2.gz FNJNBVCRFARFHI-BBRMVZONSA-N 1 1 326.400 0.611 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001042345036 780108109 /nfs/dbraw/zinc/10/81/09/780108109.db2.gz HCECYEHWOHIJLY-KBPBESRZSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@@H]21 ZINC001042344947 780108377 /nfs/dbraw/zinc/10/83/77/780108377.db2.gz FAFWSPOQGMZILA-ZBFHGGJFSA-N 1 1 332.448 0.723 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 ZINC001042345709 780109177 /nfs/dbraw/zinc/10/91/77/780109177.db2.gz MULKYUAFTBCMFL-KBPBESRZSA-N 1 1 334.420 0.379 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]21 ZINC001042376180 780165735 /nfs/dbraw/zinc/16/57/35/780165735.db2.gz OURGLNBTZXULEM-CJNGLKHVSA-N 1 1 326.400 0.740 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001070159680 790787698 /nfs/dbraw/zinc/78/76/98/790787698.db2.gz NDOQUJBZWNIHNK-GLQYFDAESA-N 1 1 343.366 0.514 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001042776325 780795639 /nfs/dbraw/zinc/79/56/39/780795639.db2.gz KXPZEQJEDXXSJT-FVQBIDKESA-N 1 1 329.404 0.367 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2COC(=O)N2)C1 ZINC001079134922 780797396 /nfs/dbraw/zinc/79/73/96/780797396.db2.gz ZRDFKJMKGSNWKH-BZUAXINKSA-N 1 1 345.399 0.355 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2COC(=O)N2)C1 ZINC001079134922 780797400 /nfs/dbraw/zinc/79/74/00/780797400.db2.gz ZRDFKJMKGSNWKH-BZUAXINKSA-N 1 1 345.399 0.355 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cncc(F)c2)C1 ZINC001042959983 781101008 /nfs/dbraw/zinc/10/10/08/781101008.db2.gz JBWZSSFLIZRZIZ-KRWDZBQOSA-N 1 1 330.407 0.961 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cncc(F)c2)C1 ZINC001042959983 781101012 /nfs/dbraw/zinc/10/10/12/781101012.db2.gz JBWZSSFLIZRZIZ-KRWDZBQOSA-N 1 1 330.407 0.961 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccnc(OC)n2)C1 ZINC001042960237 781102344 /nfs/dbraw/zinc/10/23/44/781102344.db2.gz MJUZFHHTFCVMOL-INIZCTEOSA-N 1 1 343.431 0.225 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccnc(OC)n2)C1 ZINC001042960237 781102347 /nfs/dbraw/zinc/10/23/47/781102347.db2.gz MJUZFHHTFCVMOL-INIZCTEOSA-N 1 1 343.431 0.225 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001042969154 781116273 /nfs/dbraw/zinc/11/62/73/781116273.db2.gz RIJUGIIARPBEPW-UHFFFAOYSA-N 1 1 349.475 0.457 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001042973770 781122354 /nfs/dbraw/zinc/12/23/54/781122354.db2.gz AVVSLLMAJYULCT-NUEKZKHPSA-N 1 1 343.431 0.615 20 30 ECEDMO CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001043010833 781176554 /nfs/dbraw/zinc/17/65/54/781176554.db2.gz CKUQQGSUQNYFBX-NMFUWQPSSA-N 1 1 344.419 0.008 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001079508235 781203436 /nfs/dbraw/zinc/20/34/36/781203436.db2.gz WHUFGTHBAZFIRK-KCPJHIHWSA-N 1 1 345.447 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001079508235 781203442 /nfs/dbraw/zinc/20/34/42/781203442.db2.gz WHUFGTHBAZFIRK-KCPJHIHWSA-N 1 1 345.447 0.864 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043043047 781233464 /nfs/dbraw/zinc/23/34/64/781233464.db2.gz BSMNXXYKPMCJKN-OAHLLOKOSA-N 1 1 337.464 0.905 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001079543519 781247289 /nfs/dbraw/zinc/24/72/89/781247289.db2.gz FWFKSNFURDYBSA-WQVCFCJDSA-N 1 1 341.415 0.723 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001079543519 781247292 /nfs/dbraw/zinc/24/72/92/781247292.db2.gz FWFKSNFURDYBSA-WQVCFCJDSA-N 1 1 341.415 0.723 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043059697 781255518 /nfs/dbraw/zinc/25/55/18/781255518.db2.gz KZIROOKHPIOTBL-CVEARBPZSA-N 1 1 349.475 0.907 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001077632368 781387512 /nfs/dbraw/zinc/38/75/12/781387512.db2.gz PWWLYIXVHRDHSG-XJKSGUPXSA-N 1 1 328.416 0.782 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3nc4ncc(C)cn4n3)C2)C1 ZINC001041389542 781414115 /nfs/dbraw/zinc/41/41/15/781414115.db2.gz MTNRRIBLEKGRIF-GOSISDBHSA-N 1 1 338.415 0.994 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)c1 ZINC001077649843 781423869 /nfs/dbraw/zinc/42/38/69/781423869.db2.gz HTYDKEXNUJUSOA-BRWVUGGUSA-N 1 1 343.427 0.653 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC001041408320 781449735 /nfs/dbraw/zinc/44/97/35/781449735.db2.gz UEAKUMMPSBXXKB-SFHVURJKSA-N 1 1 328.416 0.975 20 30 ECEDMO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680822 781499417 /nfs/dbraw/zinc/49/94/17/781499417.db2.gz XVFMNCZLKBZZCW-CKEIUWERSA-N 1 1 325.428 0.384 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNc2cnc(C#N)cn2)C1 ZINC001041478463 781595018 /nfs/dbraw/zinc/59/50/18/781595018.db2.gz AZQYHIOAIGDMPK-HUUCEWRRSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001077754728 781648708 /nfs/dbraw/zinc/64/87/08/781648708.db2.gz QBPOBRAKHZDITC-CHWSQXEVSA-N 1 1 334.351 0.115 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001077754728 781648718 /nfs/dbraw/zinc/64/87/18/781648718.db2.gz QBPOBRAKHZDITC-CHWSQXEVSA-N 1 1 334.351 0.115 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001041505189 781651931 /nfs/dbraw/zinc/65/19/31/781651931.db2.gz JMWFXDREDHEANX-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNc3ccncc3C#N)C2)C1 ZINC001041507406 781657523 /nfs/dbraw/zinc/65/75/23/781657523.db2.gz ZWRKRQLSWNFSKB-GDBMZVCRSA-N 1 1 343.431 0.356 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001077821685 781758153 /nfs/dbraw/zinc/75/81/53/781758153.db2.gz ATIGZHNMVAEHCH-KLHDSHLOSA-N 1 1 334.420 0.026 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001077821685 781758162 /nfs/dbraw/zinc/75/81/62/781758162.db2.gz ATIGZHNMVAEHCH-KLHDSHLOSA-N 1 1 334.420 0.026 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2Br)C1 ZINC001077855878 781824117 /nfs/dbraw/zinc/82/41/17/781824117.db2.gz SQNHGHNCSNDKOA-NXEZZACHSA-N 1 1 329.198 0.523 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2Br)C1 ZINC001077855878 781824128 /nfs/dbraw/zinc/82/41/28/781824128.db2.gz SQNHGHNCSNDKOA-NXEZZACHSA-N 1 1 329.198 0.523 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2NC(=O)CC)C1 ZINC001077869232 781844038 /nfs/dbraw/zinc/84/40/38/781844038.db2.gz VGWLWXHELYOISS-HZPDHXFCSA-N 1 1 329.400 0.833 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)cc1 ZINC001041617757 781863848 /nfs/dbraw/zinc/86/38/48/781863848.db2.gz RVSFUTGCGHWUQM-GOSISDBHSA-N 1 1 342.399 0.499 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)CCCC)CO2 ZINC001068699460 790929391 /nfs/dbraw/zinc/92/93/91/790929391.db2.gz DHESLTIFDHNCRC-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)CCCC)CO2 ZINC001068699460 790929400 /nfs/dbraw/zinc/92/94/00/790929400.db2.gz DHESLTIFDHNCRC-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(c3cncc(C#N)n3)CCCO2)C1 ZINC001039915034 783273969 /nfs/dbraw/zinc/27/39/69/783273969.db2.gz IHYNGVAHRYUFTC-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040727885 783337735 /nfs/dbraw/zinc/33/77/35/783337735.db2.gz UQDCOPUJYGAKKG-KRWDZBQOSA-N 1 1 334.420 0.627 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001039986514 783358183 /nfs/dbraw/zinc/35/81/83/783358183.db2.gz CTYMFESKDMVGJG-QAPCUYQASA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@]3(CCN(C(=O)COC)C3)C2)C1=O ZINC001040029292 783414301 /nfs/dbraw/zinc/41/43/01/783414301.db2.gz JVYCMCFBVXOESI-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001040059973 783463626 /nfs/dbraw/zinc/46/36/26/783463626.db2.gz NMBYGTBEOGQNNQ-KXBFYZLASA-N 1 1 347.459 0.211 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001040095776 783531744 /nfs/dbraw/zinc/53/17/44/783531744.db2.gz KLIGXQTVXZEBRH-QFBILLFUSA-N 1 1 349.475 0.744 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](OC)C2CC2)C[C@@H]1n1ccnn1 ZINC001070187471 783620304 /nfs/dbraw/zinc/62/03/04/783620304.db2.gz AYTFNVQMYLQQNU-RDBSUJKOSA-N 1 1 339.827 0.797 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1n1ccnn1 ZINC001070259221 783758062 /nfs/dbraw/zinc/75/80/62/783758062.db2.gz DIPXDRAWMWEZOR-DYEKYZERSA-N 1 1 343.790 0.501 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070289732 783795847 /nfs/dbraw/zinc/79/58/47/783795847.db2.gz SQIYFWRQGDLJIW-OAGGEKHMSA-N 1 1 345.451 0.406 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(F)c(C#N)c2)C1 ZINC001038134176 783899971 /nfs/dbraw/zinc/89/99/71/783899971.db2.gz FCHIEAMTXZFUQZ-NVXWUHKLSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(F)c(C#N)c2)C1 ZINC001038134176 783899972 /nfs/dbraw/zinc/89/99/72/783899972.db2.gz FCHIEAMTXZFUQZ-NVXWUHKLSA-N 1 1 346.406 0.718 20 30 ECEDMO C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCCN2C)CC1 ZINC001070367045 783901813 /nfs/dbraw/zinc/90/18/13/783901813.db2.gz AWLDWLFRNFRPDE-RYRKJORJSA-N 1 1 346.475 0.189 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)cc2F)C1 ZINC001038139062 783909126 /nfs/dbraw/zinc/90/91/26/783909126.db2.gz ZZGLDQBZZUZVKB-DOTOQJQBSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)cc2F)C1 ZINC001038139062 783909134 /nfs/dbraw/zinc/90/91/34/783909134.db2.gz ZZGLDQBZZUZVKB-DOTOQJQBSA-N 1 1 346.406 0.718 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C(N)=O)cc2)c[nH]1 ZINC001038173838 783949132 /nfs/dbraw/zinc/94/91/32/783949132.db2.gz CUNQJJIWPLHTNI-INIZCTEOSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C(N)=O)cc2)c[nH]1 ZINC001038173838 783949141 /nfs/dbraw/zinc/94/91/41/783949141.db2.gz CUNQJJIWPLHTNI-INIZCTEOSA-N 1 1 337.383 0.990 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001070399969 783967954 /nfs/dbraw/zinc/96/79/54/783967954.db2.gz QCPGXNOVGOLBJM-TZMCWYRMSA-N 1 1 329.404 0.117 20 30 ECEDMO Cn1oc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)cc1=O ZINC001038200104 783988516 /nfs/dbraw/zinc/98/85/16/783988516.db2.gz ZNEBSYQJYKSORI-AWEZNQCLSA-N 1 1 326.356 0.854 20 30 ECEDMO Cn1oc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)cc1=O ZINC001038200104 783988520 /nfs/dbraw/zinc/98/85/20/783988520.db2.gz ZNEBSYQJYKSORI-AWEZNQCLSA-N 1 1 326.356 0.854 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001070406568 783988629 /nfs/dbraw/zinc/98/86/29/783988629.db2.gz YICAAOYKSMRDEA-LLVKDONJSA-N 1 1 329.360 0.054 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001070412547 784005549 /nfs/dbraw/zinc/00/55/49/784005549.db2.gz CWDYEWOJQNSUAC-DZGCQCFKSA-N 1 1 345.447 0.918 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070905775 784088765 /nfs/dbraw/zinc/08/87/65/784088765.db2.gz INHMLKHUOPZICV-ZNMIVQPWSA-N 1 1 345.403 0.705 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070905775 784088766 /nfs/dbraw/zinc/08/87/66/784088766.db2.gz INHMLKHUOPZICV-ZNMIVQPWSA-N 1 1 345.403 0.705 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916244 784108872 /nfs/dbraw/zinc/10/88/72/784108872.db2.gz GSLFJLXENGPRKP-NFAWXSAZSA-N 1 1 346.387 0.970 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916244 784108877 /nfs/dbraw/zinc/10/88/77/784108877.db2.gz GSLFJLXENGPRKP-NFAWXSAZSA-N 1 1 346.387 0.970 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]2C(=O)OC)CC1 ZINC001070946235 784190081 /nfs/dbraw/zinc/19/00/81/784190081.db2.gz ZLKJNAJXYUYNGI-UONOGXRCSA-N 1 1 337.420 0.022 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1 ZINC001070498183 784194542 /nfs/dbraw/zinc/19/45/42/784194542.db2.gz CYKXYWQHZVQRGA-USXIJHARSA-N 1 1 344.463 0.702 20 30 ECEDMO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2NCC#N)c1 ZINC001070506049 784202836 /nfs/dbraw/zinc/20/28/36/784202836.db2.gz VRYZNWVIBVCXEC-NUEKZKHPSA-N 1 1 330.436 0.312 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cc(C)n[nH]2)CC1 ZINC001070952752 784209590 /nfs/dbraw/zinc/20/95/90/784209590.db2.gz GVFCNMNNDLPEKF-UHFFFAOYSA-N 1 1 333.436 0.487 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cc(C)n[nH]2)CC1 ZINC001070952752 784209602 /nfs/dbraw/zinc/20/96/02/784209602.db2.gz GVFCNMNNDLPEKF-UHFFFAOYSA-N 1 1 333.436 0.487 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001070958896 784230390 /nfs/dbraw/zinc/23/03/90/784230390.db2.gz YTCUMSQFRVMGJZ-UHFFFAOYSA-N 1 1 347.463 0.959 20 30 ECEDMO Cn1cnc([C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2NCC#N)c1 ZINC001070534627 784239628 /nfs/dbraw/zinc/23/96/28/784239628.db2.gz DRQBGMDAQZZDAX-GOEBONIOSA-N 1 1 344.463 0.560 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001070966554 784254336 /nfs/dbraw/zinc/25/43/36/784254336.db2.gz BWEALGDOERGORE-JKSUJKDBSA-N 1 1 334.464 0.000 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001070554289 784265604 /nfs/dbraw/zinc/26/56/04/784265604.db2.gz OAFVJBFGCOJGCZ-HUUCEWRRSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001070554289 784265612 /nfs/dbraw/zinc/26/56/12/784265612.db2.gz OAFVJBFGCOJGCZ-HUUCEWRRSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@H](OC)C2)CC1 ZINC001070975356 784287790 /nfs/dbraw/zinc/28/77/90/784287790.db2.gz LXUJARDMFWRSRK-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@H](OC)C2)CC1 ZINC001070975356 784287797 /nfs/dbraw/zinc/28/77/97/784287797.db2.gz LXUJARDMFWRSRK-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C#N)[nH]3)n[nH]2)O1 ZINC001070572931 784292064 /nfs/dbraw/zinc/29/20/64/784292064.db2.gz RQMUAIIITVUFHV-WCQYABFASA-N 1 1 343.391 0.764 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001070976608 784292885 /nfs/dbraw/zinc/29/28/85/784292885.db2.gz JZDGSBMLKYACNI-MRXNPFEDSA-N 1 1 349.479 0.281 20 30 ECEDMO O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001070986386 784328702 /nfs/dbraw/zinc/32/87/02/784328702.db2.gz LEXRBFBIUKUSRB-MRXNPFEDSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC001070993505 784349223 /nfs/dbraw/zinc/34/92/23/784349223.db2.gz CWBPSHWGILRFGE-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC001070993505 784349238 /nfs/dbraw/zinc/34/92/38/784349238.db2.gz CWBPSHWGILRFGE-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=C1CCC(C(=O)N2CCC(=O)NCC[N@@H+](C[C@H](C)O)CC2)CC1 ZINC001070995080 784352468 /nfs/dbraw/zinc/35/24/68/784352468.db2.gz QNJXAWGNTWRQRH-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C1CCC(C(=O)N2CCC(=O)NCC[N@H+](C[C@H](C)O)CC2)CC1 ZINC001070995080 784352476 /nfs/dbraw/zinc/35/24/76/784352476.db2.gz QNJXAWGNTWRQRH-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(CC=C)nn2)CC1 ZINC001071006898 784390869 /nfs/dbraw/zinc/39/08/69/784390869.db2.gz AXKLSRGHVLNEHJ-UHFFFAOYSA-N 1 1 346.435 0.304 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(CC=C)nn2)CC1 ZINC001071006898 784390879 /nfs/dbraw/zinc/39/08/79/784390879.db2.gz AXKLSRGHVLNEHJ-UHFFFAOYSA-N 1 1 346.435 0.304 20 30 ECEDMO C=CCN1CCOC[C@H]1c1nc(CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001070593163 784400034 /nfs/dbraw/zinc/40/00/34/784400034.db2.gz RNCNYHSTBHPGCB-ZDUSSCGKSA-N 1 1 346.435 0.076 20 30 ECEDMO C=CCN1CCOC[C@H]1c1nnc(CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001070593163 784400035 /nfs/dbraw/zinc/40/00/35/784400035.db2.gz RNCNYHSTBHPGCB-ZDUSSCGKSA-N 1 1 346.435 0.076 20 30 ECEDMO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C)n2)N(CC#N)C1 ZINC001070595470 784404013 /nfs/dbraw/zinc/40/40/13/784404013.db2.gz BMKRDVOXMSFGHW-KKUMJFAQSA-N 1 1 346.435 0.529 20 30 ECEDMO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CCC[N@H+]3C)n2)N(CC#N)C1 ZINC001070595470 784404022 /nfs/dbraw/zinc/40/40/22/784404022.db2.gz BMKRDVOXMSFGHW-KKUMJFAQSA-N 1 1 346.435 0.529 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2cc[nH]n2)n1 ZINC001070602288 784420397 /nfs/dbraw/zinc/42/03/97/784420397.db2.gz NCGJMOVTYMHVDX-LSDHHAIUSA-N 1 1 342.403 0.510 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]n2)n1 ZINC001070604629 784424204 /nfs/dbraw/zinc/42/42/04/784424204.db2.gz QVLUCRJHTPAKHW-NWDGAFQWSA-N 1 1 331.380 0.529 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001070605598 784427119 /nfs/dbraw/zinc/42/71/19/784427119.db2.gz QXYYLSVEFNJQST-DGAVXFQQSA-N 1 1 347.419 0.218 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc[nH]c2C)n1 ZINC001070608216 784431080 /nfs/dbraw/zinc/43/10/80/784431080.db2.gz ATDJSFXLVBNOCF-UONOGXRCSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2[nH]cnc2C)n1 ZINC001070608216 784431095 /nfs/dbraw/zinc/43/10/95/784431095.db2.gz ATDJSFXLVBNOCF-UONOGXRCSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2[nH]cnc2C)n1 ZINC001070608216 784431097 /nfs/dbraw/zinc/43/10/97/784431097.db2.gz ATDJSFXLVBNOCF-UONOGXRCSA-N 1 1 342.403 0.889 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H](NCC#N)C2)CC[N@H+]1C ZINC001070649145 784495404 /nfs/dbraw/zinc/49/54/04/784495404.db2.gz QOWBNJCFIDLXAT-KBUPBQIOSA-N 1 1 330.436 0.168 20 30 ECEDMO O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001071059214 784496420 /nfs/dbraw/zinc/49/64/20/784496420.db2.gz CQOYQTCSPMFTJV-APWZRJJASA-N 1 1 329.444 0.993 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1c1cncn1C ZINC001070668418 784525689 /nfs/dbraw/zinc/52/56/89/784525689.db2.gz TWHNWUFMLBLUPC-IAGOWNOFSA-N 1 1 348.410 0.899 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001071097468 784538790 /nfs/dbraw/zinc/53/87/90/784538790.db2.gz KYMPSFSXYTZNCQ-PBHICJAKSA-N 1 1 333.436 0.909 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@@H](C)O2 ZINC001071134133 784578500 /nfs/dbraw/zinc/57/85/00/784578500.db2.gz NDMDHOAKEDCISO-QAPCUYQASA-N 1 1 333.432 0.324 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)C[C@@H](C)O2 ZINC001071159896 784627825 /nfs/dbraw/zinc/62/78/25/784627825.db2.gz TTXXECGOTIAJTF-WBVHZDCISA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)C[C@@H](C)O2 ZINC001071159894 784628040 /nfs/dbraw/zinc/62/80/40/784628040.db2.gz TTXXECGOTIAJTF-NVXWUHKLSA-N 1 1 333.436 0.936 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@H](C)O2 ZINC001071166858 784642622 /nfs/dbraw/zinc/64/26/22/784642622.db2.gz PACJBAYBKRULEV-SUMWQHHRSA-N 1 1 331.420 0.371 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C3CCC3)nn1)C[C@H](C)O2 ZINC001071168768 784646356 /nfs/dbraw/zinc/64/63/56/784646356.db2.gz HIFWOKHNBXJCAY-KSSFIOAISA-N 1 1 343.431 0.942 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C3CCC3)nn1)C[C@H](C)O2 ZINC001071168768 784646357 /nfs/dbraw/zinc/64/63/57/784646357.db2.gz HIFWOKHNBXJCAY-KSSFIOAISA-N 1 1 343.431 0.942 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1C)C[C@@H](C)O2 ZINC001071173823 784660241 /nfs/dbraw/zinc/66/02/41/784660241.db2.gz OBNSIOIDFZYQPK-BEFAXECRSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@H](C)O2 ZINC001071176441 784666072 /nfs/dbraw/zinc/66/60/72/784666072.db2.gz VPNCKUAVRZDDPC-SUMWQHHRSA-N 1 1 330.388 0.214 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@H](C)O2 ZINC001071176441 784666076 /nfs/dbraw/zinc/66/60/76/784666076.db2.gz VPNCKUAVRZDDPC-SUMWQHHRSA-N 1 1 330.388 0.214 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@H](C)O2 ZINC001071176478 784666156 /nfs/dbraw/zinc/66/61/56/784666156.db2.gz WFXPEGFCZOTTKT-KBXCAEBGSA-N 1 1 344.415 0.604 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3ncccc13)C[C@H](C)O2 ZINC001071176502 784666424 /nfs/dbraw/zinc/66/64/24/784666424.db2.gz WNQXKVPBVJKQRR-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3ncccc13)C[C@H](C)O2 ZINC001071176502 784666429 /nfs/dbraw/zinc/66/64/29/784666429.db2.gz WNQXKVPBVJKQRR-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc(C3CC3)nn1)C[C@@H](C)O2 ZINC001071176591 784666948 /nfs/dbraw/zinc/66/69/48/784666948.db2.gz XYRUANMSPVBESQ-KDOFPFPSSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(C)nc1C)C[C@H](C)O2 ZINC001071177496 784669732 /nfs/dbraw/zinc/66/97/32/784669732.db2.gz AXUUKYCMUXDQDD-HNAYVOBHSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@@H](C)O2 ZINC001071179973 784677982 /nfs/dbraw/zinc/67/79/82/784677982.db2.gz CWZQTZFGCNUCOC-DNVCBOLYSA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@H](C)O2 ZINC001071181442 784680842 /nfs/dbraw/zinc/68/08/42/784680842.db2.gz XSAXZQBGKSLXMA-HNAYVOBHSA-N 1 1 343.427 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@@H](C)O2 ZINC001071184217 784686361 /nfs/dbraw/zinc/68/63/61/784686361.db2.gz ZVNUOKZZENBZHR-KDOFPFPSSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)C[C@H](C)O2 ZINC001071185923 784689051 /nfs/dbraw/zinc/68/90/51/784689051.db2.gz NXEHMEFWWPDXGL-KBXCAEBGSA-N 1 1 344.415 0.604 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)C[C@H](C)O2 ZINC001071185923 784689053 /nfs/dbraw/zinc/68/90/53/784689053.db2.gz NXEHMEFWWPDXGL-KBXCAEBGSA-N 1 1 344.415 0.604 20 30 ECEDMO C#CCN1CC[C@]2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C[C@@H](C)O2 ZINC001071186043 784690654 /nfs/dbraw/zinc/69/06/54/784690654.db2.gz PPGDESMAIGCLQM-AEFFLSMTSA-N 1 1 331.460 0.940 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc3ncnn31)C[C@H](C)O2 ZINC001071186675 784691338 /nfs/dbraw/zinc/69/13/38/784691338.db2.gz WJJBDEXKSBQEJN-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@H](C)O2 ZINC001071189847 784695043 /nfs/dbraw/zinc/69/50/43/784695043.db2.gz QDCZPKYRGXQTCP-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)C[C@H](C)O2 ZINC001071190363 784697832 /nfs/dbraw/zinc/69/78/32/784697832.db2.gz YEXJDGPZDGASIY-KBXCAEBGSA-N 1 1 344.415 0.604 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)C[C@H](C)O2 ZINC001071190363 784697835 /nfs/dbraw/zinc/69/78/35/784697835.db2.gz YEXJDGPZDGASIY-KBXCAEBGSA-N 1 1 344.415 0.604 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@@H](C)O2 ZINC001071191148 784700223 /nfs/dbraw/zinc/70/02/23/784700223.db2.gz AXVFSLXQMZEQAB-RDTXWAMCSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nc(C)no1)C[C@H](C)O2 ZINC001071196773 784714517 /nfs/dbraw/zinc/71/45/17/784714517.db2.gz IAYMNEFPPXMXQZ-SUMWQHHRSA-N 1 1 332.404 0.636 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@@H](C)O2 ZINC001071199372 784719945 /nfs/dbraw/zinc/71/99/45/784719945.db2.gz LCOIJOQMZMLRCM-RDTXWAMCSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@@H](C)O2 ZINC001071208969 784739771 /nfs/dbraw/zinc/73/97/71/784739771.db2.gz CAUBFAIGGFXXLH-RHSMWYFYSA-N 1 1 331.420 0.073 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nnnc1C(C)C)C[C@H](C)O2 ZINC001071218088 784760658 /nfs/dbraw/zinc/76/06/58/784760658.db2.gz IOWMULLCPSNDOV-YOEHRIQHSA-N 1 1 346.435 0.122 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COc1cccnc1)C[C@H](C)O2 ZINC001071218452 784762917 /nfs/dbraw/zinc/76/29/17/784762917.db2.gz NPGAFYCUAKBNMR-YJBOKZPZSA-N 1 1 329.400 0.785 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C[C@H](C)O2 ZINC001071219570 784765184 /nfs/dbraw/zinc/76/51/84/784765184.db2.gz WHPKSSFKHXFCQR-SCLBCKFNSA-N 1 1 349.431 0.307 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cnccc1=O)C[C@@H](C)O2 ZINC001071225787 784782986 /nfs/dbraw/zinc/78/29/86/784782986.db2.gz PSXGJFZUFZEELI-CRAIPNDOSA-N 1 1 346.431 0.511 20 30 ECEDMO CC#CCN1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227336 784785514 /nfs/dbraw/zinc/78/55/14/784785514.db2.gz DFECNMORLSJMCY-QFBILLFUSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)nn1)C[C@@H](C)O2 ZINC001071230938 784793672 /nfs/dbraw/zinc/79/36/72/784793672.db2.gz LNNNDDLOYFEFHR-KDOFPFPSSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)nn1)C[C@@H](C)O2 ZINC001071230938 784793681 /nfs/dbraw/zinc/79/36/81/784793681.db2.gz LNNNDDLOYFEFHR-KDOFPFPSSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@@H](C)O2 ZINC001071233471 784797754 /nfs/dbraw/zinc/79/77/54/784797754.db2.gz JNGCGSFSNBZJQT-RDTXWAMCSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cnc1C)C[C@H](C)O2 ZINC001071234308 784800643 /nfs/dbraw/zinc/80/06/43/784800643.db2.gz WZNROJCWSYWMHM-KBXCAEBGSA-N 1 1 330.432 0.976 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(=O)Nc1cc(C)on1)C[C@H](C)O2 ZINC001071237647 784805291 /nfs/dbraw/zinc/80/52/91/784805291.db2.gz AXFQSBXEODBMDE-SUMWQHHRSA-N 1 1 346.387 0.247 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@H](C)O2 ZINC001071238079 784807016 /nfs/dbraw/zinc/80/70/16/784807016.db2.gz IOZYNUSTTJQPLY-SUMWQHHRSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@@H](C)O2 ZINC001071243858 784821145 /nfs/dbraw/zinc/82/11/45/784821145.db2.gz MEKGULGFMMZNQL-CRAIPNDOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)Cn3cccn3)C2)C(=O)C1 ZINC001071253808 784844708 /nfs/dbraw/zinc/84/47/08/784844708.db2.gz RJTNQWJGHVDXBA-INIZCTEOSA-N 1 1 345.447 0.594 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)Cn3cccn3)C2)C(=O)C1 ZINC001071253808 784844717 /nfs/dbraw/zinc/84/47/17/784844717.db2.gz RJTNQWJGHVDXBA-INIZCTEOSA-N 1 1 345.447 0.594 20 30 ECEDMO C=C(C)CN1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071259134 784868174 /nfs/dbraw/zinc/86/81/74/784868174.db2.gz ZHCVBPWNMOLBHI-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C(=O)C1 ZINC001071267051 784891665 /nfs/dbraw/zinc/89/16/65/784891665.db2.gz CWQMICHUHADTFS-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)C(=O)C1 ZINC001071267614 784892982 /nfs/dbraw/zinc/89/29/82/784892982.db2.gz MQEKQPFSYATHSX-CYBMUJFWSA-N 1 1 332.408 0.130 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)C(=O)C1 ZINC001071267614 784892985 /nfs/dbraw/zinc/89/29/85/784892985.db2.gz MQEKQPFSYATHSX-CYBMUJFWSA-N 1 1 332.408 0.130 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3n[nH]nc3C)C2)C(=O)C1 ZINC001071268969 784897633 /nfs/dbraw/zinc/89/76/33/784897633.db2.gz GPSVDPLWZCYGMZ-AWEZNQCLSA-N 1 1 346.435 0.438 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3n[nH]nc3C)C2)C(=O)C1 ZINC001071268969 784897640 /nfs/dbraw/zinc/89/76/40/784897640.db2.gz GPSVDPLWZCYGMZ-AWEZNQCLSA-N 1 1 346.435 0.438 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)C(=O)C1 ZINC001071275350 784915592 /nfs/dbraw/zinc/91/55/92/784915592.db2.gz DHFNUMAFLMWREE-HNNXBMFYSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)C(=O)C1 ZINC001071275350 784915596 /nfs/dbraw/zinc/91/55/96/784915596.db2.gz DHFNUMAFLMWREE-HNNXBMFYSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)C(=O)C1 ZINC001071276910 784919938 /nfs/dbraw/zinc/91/99/38/784919938.db2.gz DOPJQQAABDXJLE-OAHLLOKOSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)C(=O)C1 ZINC001071276910 784919943 /nfs/dbraw/zinc/91/99/43/784919943.db2.gz DOPJQQAABDXJLE-OAHLLOKOSA-N 1 1 345.447 0.745 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071340908 784980347 /nfs/dbraw/zinc/98/03/47/784980347.db2.gz VQRWKZZAQNROGA-WBVHZDCISA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CC#Cc1ccccc1 ZINC001071340908 784980351 /nfs/dbraw/zinc/98/03/51/784980351.db2.gz VQRWKZZAQNROGA-WBVHZDCISA-N 1 1 338.415 0.694 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)CC[C@@H]1C ZINC001071531253 785253454 /nfs/dbraw/zinc/25/34/54/785253454.db2.gz JIDRDCHPVNPHSI-UONOGXRCSA-N 1 1 332.452 0.963 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071550081 785287069 /nfs/dbraw/zinc/28/70/69/785287069.db2.gz XPMYZWLHTCWKDI-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC[C@@H]1C ZINC001071931689 785355670 /nfs/dbraw/zinc/35/56/70/785355670.db2.gz YWQHHJQGFDTWPH-WCQYABFASA-N 1 1 332.404 0.731 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001068767248 791104506 /nfs/dbraw/zinc/10/45/06/791104506.db2.gz OXYJNRWQRHJTIQ-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071658268 785463818 /nfs/dbraw/zinc/46/38/18/785463818.db2.gz MNKVETFXJPEOEI-JSGCOSHPSA-N 1 1 338.477 0.691 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[C@H]1C ZINC001071659744 785467206 /nfs/dbraw/zinc/46/72/06/785467206.db2.gz KPZFDYPWELAZNN-KGLIPLIRSA-N 1 1 334.420 0.884 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@H]1C ZINC001071667098 785485143 /nfs/dbraw/zinc/48/51/43/785485143.db2.gz UEEQIXKOJQYKBX-CABCVRRESA-N 1 1 346.431 0.496 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C ZINC001071989458 785486424 /nfs/dbraw/zinc/48/64/24/785486424.db2.gz PSJZIJCUBONESG-NWDGAFQWSA-N 1 1 328.376 0.024 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@@H]1C ZINC001071671187 785492062 /nfs/dbraw/zinc/49/20/62/785492062.db2.gz YUSSWNMLRGBNSH-KBPBESRZSA-N 1 1 334.420 0.658 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C2)cn1 ZINC001072001501 785506983 /nfs/dbraw/zinc/50/69/83/785506983.db2.gz DMXICSMNGWDGBG-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)N(C)C)C2)cn1 ZINC001072001501 785506987 /nfs/dbraw/zinc/50/69/87/785506987.db2.gz DMXICSMNGWDGBG-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@@H]1C ZINC001071702329 785555931 /nfs/dbraw/zinc/55/59/31/785555931.db2.gz XZDVKLUDLUHQKJ-QWHCGFSZSA-N 1 1 327.388 0.547 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@@H]1C ZINC001071702329 785555935 /nfs/dbraw/zinc/55/59/35/785555935.db2.gz XZDVKLUDLUHQKJ-QWHCGFSZSA-N 1 1 327.388 0.547 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)CC[C@H]1C ZINC001072043965 785567774 /nfs/dbraw/zinc/56/77/74/785567774.db2.gz HLKSURKISWTGDO-OCCSQVGLSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)CC[C@H]1C ZINC001072043965 785567777 /nfs/dbraw/zinc/56/77/77/785567777.db2.gz HLKSURKISWTGDO-OCCSQVGLSA-N 1 1 326.404 0.957 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC001072071592 785618942 /nfs/dbraw/zinc/61/89/42/785618942.db2.gz ZNWBJWRJHJKTNQ-GJZGRUSLSA-N 1 1 343.493 0.262 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC001072071592 785618948 /nfs/dbraw/zinc/61/89/48/785618948.db2.gz ZNWBJWRJHJKTNQ-GJZGRUSLSA-N 1 1 343.493 0.262 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cc2nc3ncccn3n2)CC[C@H]1C ZINC001072073266 785622942 /nfs/dbraw/zinc/62/29/42/785622942.db2.gz WZNYEWDKYYAOIN-ZIAGYGMSSA-N 1 1 326.404 0.659 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001072099971 785668089 /nfs/dbraw/zinc/66/80/89/785668089.db2.gz AIPLLOVMTGPSSN-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072239945 785874989 /nfs/dbraw/zinc/87/49/89/785874989.db2.gz ZNTMDHWKDCJIQM-AAEUAGOBSA-N 1 1 342.407 0.298 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)cn1 ZINC001072287359 785983891 /nfs/dbraw/zinc/98/38/91/785983891.db2.gz VTGBLFHPAUINPX-WMLDXEAASA-N 1 1 342.443 0.980 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001072400921 786138588 /nfs/dbraw/zinc/13/85/88/786138588.db2.gz HEWJHJAKTVDCPF-DZGCQCFKSA-N 1 1 332.404 0.195 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](C)C2)nc1 ZINC001072468247 786225724 /nfs/dbraw/zinc/22/57/24/786225724.db2.gz RKQDVZIAMPAOTN-YOEHRIQHSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)C[C@H]4CCCO4)C3)C2)C1=O ZINC001072502804 786291610 /nfs/dbraw/zinc/29/16/10/786291610.db2.gz KHSRFCVRUSHNCN-HZPDHXFCSA-N 1 1 347.459 0.877 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@@H]4CCC[N@H+]4C)C3)C2)C1=O ZINC001072553645 786358765 /nfs/dbraw/zinc/35/87/65/786358765.db2.gz GGZXUPRMGBXRAV-JKSUJKDBSA-N 1 1 346.475 0.402 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@@H]4CCC[N@@H+]4C)C3)C2)C1=O ZINC001072553645 786358772 /nfs/dbraw/zinc/35/87/72/786358772.db2.gz GGZXUPRMGBXRAV-JKSUJKDBSA-N 1 1 346.475 0.402 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)c3ccc[nH]3)C2)C1=O ZINC001073534015 786498554 /nfs/dbraw/zinc/49/85/54/786498554.db2.gz RVUWABGEELTXGB-GDBMZVCRSA-N 1 1 346.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)c3ccc[nH]3)C2)C1=O ZINC001073534015 786498563 /nfs/dbraw/zinc/49/85/63/786498563.db2.gz RVUWABGEELTXGB-GDBMZVCRSA-N 1 1 346.431 0.622 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@H]21 ZINC001074279625 786576162 /nfs/dbraw/zinc/57/61/62/786576162.db2.gz OPCNPAQQUSNWSK-CVEARBPZSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@H]21 ZINC001074279625 786576165 /nfs/dbraw/zinc/57/61/65/786576165.db2.gz OPCNPAQQUSNWSK-CVEARBPZSA-N 1 1 346.431 0.905 20 30 ECEDMO N#CCN1CCO[C@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001074296725 786620772 /nfs/dbraw/zinc/62/07/72/786620772.db2.gz IGUOYEYAGFZAPF-IRXDYDNUSA-N 1 1 343.431 0.587 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 ZINC001074302771 786635051 /nfs/dbraw/zinc/63/50/51/786635051.db2.gz XELFQLKXXFCZTQ-HOTGVXAUSA-N 1 1 333.436 0.718 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 ZINC001074302771 786635057 /nfs/dbraw/zinc/63/50/57/786635057.db2.gz XELFQLKXXFCZTQ-HOTGVXAUSA-N 1 1 333.436 0.718 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@H]21 ZINC001074315470 786659016 /nfs/dbraw/zinc/65/90/16/786659016.db2.gz WVQTUTZCDWCASF-HUUCEWRRSA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@H]21 ZINC001074315470 786659021 /nfs/dbraw/zinc/65/90/21/786659021.db2.gz WVQTUTZCDWCASF-HUUCEWRRSA-N 1 1 342.403 0.616 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 ZINC001074325087 786677940 /nfs/dbraw/zinc/67/79/40/786677940.db2.gz VRFGLNCIIKZBLS-GJZGRUSLSA-N 1 1 332.404 0.651 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 ZINC001074325087 786677943 /nfs/dbraw/zinc/67/79/43/786677943.db2.gz VRFGLNCIIKZBLS-GJZGRUSLSA-N 1 1 332.404 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001073601042 786746365 /nfs/dbraw/zinc/74/63/65/786746365.db2.gz DWWYYOGCJKKMQV-UONOGXRCSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001073601042 786746371 /nfs/dbraw/zinc/74/63/71/786746371.db2.gz DWWYYOGCJKKMQV-UONOGXRCSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001073603787 786754742 /nfs/dbraw/zinc/75/47/42/786754742.db2.gz OOCGDYCVMUMZLV-DZGCQCFKSA-N 1 1 347.419 0.156 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001073617817 786780289 /nfs/dbraw/zinc/78/02/89/786780289.db2.gz NFPIZNPLCTWLPY-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625234 786797761 /nfs/dbraw/zinc/79/77/61/786797761.db2.gz CXBMIZOFBFQGSE-HOTGVXAUSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3ccnn32)C1 ZINC001073631714 786820302 /nfs/dbraw/zinc/82/03/02/786820302.db2.gz SSKDTPDFQZXUJZ-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001073631836 786820545 /nfs/dbraw/zinc/82/05/45/786820545.db2.gz UGSYYFPHXIVNTC-LBPRGKRZSA-N 1 1 328.376 0.197 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@H]3C2)nc1 ZINC001074385619 786821564 /nfs/dbraw/zinc/82/15/64/786821564.db2.gz VGOAUVSRGAZBPD-DLBZAZTESA-N 1 1 329.400 0.625 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@H]3C2)nc1 ZINC001074385619 786821574 /nfs/dbraw/zinc/82/15/74/786821574.db2.gz VGOAUVSRGAZBPD-DLBZAZTESA-N 1 1 329.400 0.625 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001073633681 786825031 /nfs/dbraw/zinc/82/50/31/786825031.db2.gz CQYAEMLDEJHNMU-CVEARBPZSA-N 1 1 330.432 0.991 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001073633682 786825610 /nfs/dbraw/zinc/82/56/10/786825610.db2.gz CQYAEMLDEJHNMU-HOTGVXAUSA-N 1 1 330.432 0.991 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001073645021 786860464 /nfs/dbraw/zinc/86/04/64/786860464.db2.gz BKUCPCRTTVZATI-AWEZNQCLSA-N 1 1 343.383 0.471 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001073645021 786860469 /nfs/dbraw/zinc/86/04/69/786860469.db2.gz BKUCPCRTTVZATI-AWEZNQCLSA-N 1 1 343.383 0.471 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC(F)F)n2)C1 ZINC001073648812 786869308 /nfs/dbraw/zinc/86/93/08/786869308.db2.gz DBRORYIVYQZYCA-ZDUSSCGKSA-N 1 1 340.374 0.992 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001074403199 786870080 /nfs/dbraw/zinc/87/00/80/786870080.db2.gz RWQNQGVSQMHZKF-KBPBESRZSA-N 1 1 335.404 0.013 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001074403199 786870092 /nfs/dbraw/zinc/87/00/92/786870092.db2.gz RWQNQGVSQMHZKF-KBPBESRZSA-N 1 1 335.404 0.013 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@H]21 ZINC001074417793 786919575 /nfs/dbraw/zinc/91/95/75/786919575.db2.gz UTGQHBHGZHIPJA-HZPDHXFCSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@H]21 ZINC001074417793 786919578 /nfs/dbraw/zinc/91/95/78/786919578.db2.gz UTGQHBHGZHIPJA-HZPDHXFCSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2sccc2-n2cnnn2)C1 ZINC001073674305 786938692 /nfs/dbraw/zinc/93/86/92/786938692.db2.gz ACZWOJYXHMSYEJ-GFCCVEGCSA-N 1 1 346.416 0.178 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2sccc2-n2cnnn2)C1 ZINC001073674305 786938699 /nfs/dbraw/zinc/93/86/99/786938699.db2.gz ACZWOJYXHMSYEJ-GFCCVEGCSA-N 1 1 346.416 0.178 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3sccn3c2=O)C1 ZINC001073684555 786966836 /nfs/dbraw/zinc/96/68/36/786966836.db2.gz UQVJMEJNNSECQN-GFCCVEGCSA-N 1 1 346.412 0.210 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3sccn3c2=O)C1 ZINC001073684555 786966842 /nfs/dbraw/zinc/96/68/42/786966842.db2.gz UQVJMEJNNSECQN-GFCCVEGCSA-N 1 1 346.412 0.210 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001073686907 786969155 /nfs/dbraw/zinc/96/91/55/786969155.db2.gz DNJUFSKEFDMFCV-CABCVRRESA-N 1 1 336.436 0.008 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001073703112 787006167 /nfs/dbraw/zinc/00/61/67/787006167.db2.gz FPJOCRUKXIVNRW-LBPRGKRZSA-N 1 1 345.428 0.987 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001073703112 787006178 /nfs/dbraw/zinc/00/61/78/787006178.db2.gz FPJOCRUKXIVNRW-LBPRGKRZSA-N 1 1 345.428 0.987 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001073709742 787018609 /nfs/dbraw/zinc/01/86/09/787018609.db2.gz GIGMKZDYJFMJBJ-BZUAXINKSA-N 1 1 330.432 0.754 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001073710357 787020804 /nfs/dbraw/zinc/02/08/04/787020804.db2.gz YJSFQDQTZVZLHJ-CVEARBPZSA-N 1 1 347.463 0.932 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001073712541 787025821 /nfs/dbraw/zinc/02/58/21/787025821.db2.gz FGVKZEFHBCQPHL-CABCVRRESA-N 1 1 348.447 0.931 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(N)=O)CCCO2)cc1 ZINC001073723947 787062881 /nfs/dbraw/zinc/06/28/81/787062881.db2.gz OVJMMJIABIYCCT-XJKSGUPXSA-N 1 1 329.400 0.362 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)CCCO2)cc1 ZINC001073723947 787062885 /nfs/dbraw/zinc/06/28/85/787062885.db2.gz OVJMMJIABIYCCT-XJKSGUPXSA-N 1 1 329.400 0.362 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001073739312 787089071 /nfs/dbraw/zinc/08/90/71/787089071.db2.gz PTNDVRFBHZNODJ-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001073739312 787089077 /nfs/dbraw/zinc/08/90/77/787089077.db2.gz PTNDVRFBHZNODJ-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001073745566 787110349 /nfs/dbraw/zinc/11/03/49/787110349.db2.gz BDHZWORJNBOLEC-HUUCEWRRSA-N 1 1 347.463 0.703 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001073745869 787111227 /nfs/dbraw/zinc/11/12/27/787111227.db2.gz KAOHTTPJEGQWGA-LSDHHAIUSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001073745869 787111231 /nfs/dbraw/zinc/11/12/31/787111231.db2.gz KAOHTTPJEGQWGA-LSDHHAIUSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001073745868 787111397 /nfs/dbraw/zinc/11/13/97/787111397.db2.gz KAOHTTPJEGQWGA-HUUCEWRRSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001073745868 787111402 /nfs/dbraw/zinc/11/14/02/787111402.db2.gz KAOHTTPJEGQWGA-HUUCEWRRSA-N 1 1 343.418 0.804 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2ncn3C)C1 ZINC001073762710 787151509 /nfs/dbraw/zinc/15/15/09/787151509.db2.gz KVJCJUQMGDDCRM-CYBMUJFWSA-N 1 1 329.404 0.975 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnnn2-c2ccccc2)C1 ZINC001073791319 787205591 /nfs/dbraw/zinc/20/55/91/787205591.db2.gz FUBYGJZFGOHQPO-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnnn2-c2ccccc2)C1 ZINC001073791319 787205594 /nfs/dbraw/zinc/20/55/94/787205594.db2.gz FUBYGJZFGOHQPO-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001073804466 787235062 /nfs/dbraw/zinc/23/50/62/787235062.db2.gz NEAYJBDMIJPPEC-CQSZACIVSA-N 1 1 344.415 0.904 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001073804882 787235413 /nfs/dbraw/zinc/23/54/13/787235413.db2.gz YCQNTKYCPJLZGV-ZDUSSCGKSA-N 1 1 330.388 0.514 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001073804882 787235420 /nfs/dbraw/zinc/23/54/20/787235420.db2.gz YCQNTKYCPJLZGV-ZDUSSCGKSA-N 1 1 330.388 0.514 20 30 ECEDMO C#CCCCCC(=O)N1CCC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001074555254 787248498 /nfs/dbraw/zinc/24/84/98/787248498.db2.gz SBIDDLQQDKFDDM-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CCOCC2)[C@@H]1C ZINC001074568451 787281829 /nfs/dbraw/zinc/28/18/29/787281829.db2.gz OVUYAAVVFQDQDW-OBJOEFQTSA-N 1 1 347.423 0.263 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001073831942 787303046 /nfs/dbraw/zinc/30/30/46/787303046.db2.gz IMGKTCXGHNNUSL-MRXNPFEDSA-N 1 1 341.415 0.812 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001074582268 787323819 /nfs/dbraw/zinc/32/38/19/787323819.db2.gz NIGRWKLQQFCKFR-OAHLLOKOSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001073844551 787337337 /nfs/dbraw/zinc/33/73/37/787337337.db2.gz SVGKSMIKWVGDAC-INIZCTEOSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001073844551 787337345 /nfs/dbraw/zinc/33/73/45/787337345.db2.gz SVGKSMIKWVGDAC-INIZCTEOSA-N 1 1 339.399 0.926 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074593388 787349263 /nfs/dbraw/zinc/34/92/63/787349263.db2.gz QXKRONCBHBPFFL-CQSZACIVSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074593658 787351479 /nfs/dbraw/zinc/35/14/79/787351479.db2.gz YXVXYXJFJVYGGA-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001073859706 787381520 /nfs/dbraw/zinc/38/15/20/787381520.db2.gz RJCXFIGQAIBPKB-UONOGXRCSA-N 1 1 331.420 0.140 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001073859954 787383272 /nfs/dbraw/zinc/38/32/72/787383272.db2.gz XTFMZIWJMHVFSP-KBPBESRZSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001073859954 787383278 /nfs/dbraw/zinc/38/32/78/787383278.db2.gz XTFMZIWJMHVFSP-KBPBESRZSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001073859954 787383283 /nfs/dbraw/zinc/38/32/83/787383283.db2.gz XTFMZIWJMHVFSP-KBPBESRZSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001073859954 787383294 /nfs/dbraw/zinc/38/32/94/787383294.db2.gz XTFMZIWJMHVFSP-KBPBESRZSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001073859954 787383306 /nfs/dbraw/zinc/38/33/06/787383306.db2.gz XTFMZIWJMHVFSP-KBPBESRZSA-N 1 1 333.436 0.693 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001073896316 787464331 /nfs/dbraw/zinc/46/43/31/787464331.db2.gz PMOHWJCDEPYYTJ-CYBMUJFWSA-N 1 1 330.388 0.025 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001073898716 787472815 /nfs/dbraw/zinc/47/28/15/787472815.db2.gz AGMZEHHEFQMWPG-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001073898716 787472822 /nfs/dbraw/zinc/47/28/22/787472822.db2.gz AGMZEHHEFQMWPG-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001073901811 787483233 /nfs/dbraw/zinc/48/32/33/787483233.db2.gz GKXIMDJIGWNAAV-GJZGRUSLSA-N 1 1 331.420 0.071 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC(O)(CNC(=O)C#CC3CC3)CC2)C1 ZINC001074646215 787493887 /nfs/dbraw/zinc/49/38/87/787493887.db2.gz ORKLBCWKJFPSDS-INIZCTEOSA-N 1 1 347.459 0.211 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](C)C1 ZINC001073951734 787572397 /nfs/dbraw/zinc/57/23/97/787572397.db2.gz NZJHQIMKKXXVAK-XJKSGUPXSA-N 1 1 328.416 0.958 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)C#CC2CC2)[C@@H](C)C1 ZINC001073951731 787572545 /nfs/dbraw/zinc/57/25/45/787572545.db2.gz NZJHQIMKKXXVAK-BBRMVZONSA-N 1 1 328.416 0.958 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001073962765 787592881 /nfs/dbraw/zinc/59/28/81/787592881.db2.gz JNMGJGSFCNBHBU-GDBMZVCRSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001073971008 787607332 /nfs/dbraw/zinc/60/73/32/787607332.db2.gz CYUGQYXZYMNPGD-GDBMZVCRSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001074016769 787685444 /nfs/dbraw/zinc/68/54/44/787685444.db2.gz JKDBNJPAFREXAZ-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001074731325 787722339 /nfs/dbraw/zinc/72/23/39/787722339.db2.gz NRZFJAQZCAHOMH-HZPDHXFCSA-N 1 1 349.475 0.313 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1=O ZINC001072595550 788394111 /nfs/dbraw/zinc/39/41/11/788394111.db2.gz ZCIBLZUVVOWNSZ-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO O=C(C[N@@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1)NC1CCCC1 ZINC001072718758 788645070 /nfs/dbraw/zinc/64/50/70/788645070.db2.gz MRJLDYONBVEYSP-UHFFFAOYSA-N 1 1 329.444 0.993 20 30 ECEDMO O=C(C[N@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1)NC1CCCC1 ZINC001072718758 788645074 /nfs/dbraw/zinc/64/50/74/788645074.db2.gz MRJLDYONBVEYSP-UHFFFAOYSA-N 1 1 329.444 0.993 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)Cn4ncnn4)C3)C2)c1 ZINC001072735874 788670668 /nfs/dbraw/zinc/67/06/68/788670668.db2.gz UQSIWYMHOFOQPW-UHFFFAOYSA-N 1 1 337.387 0.279 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001072737372 788673813 /nfs/dbraw/zinc/67/38/13/788673813.db2.gz RWMUHDJXNPTTJG-SWLSCSKDSA-N 1 1 331.420 0.805 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072737298 788674063 /nfs/dbraw/zinc/67/40/63/788674063.db2.gz RAOZKITXKGGAAS-CHWSQXEVSA-N 1 1 326.466 0.548 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C)c1 ZINC001072742159 788690111 /nfs/dbraw/zinc/69/01/11/788690111.db2.gz NNNPDIANJUQESJ-WMLDXEAASA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@]45C[C@H]4COC5)C3)C2)C1=O ZINC001072757722 788731841 /nfs/dbraw/zinc/73/18/41/788731841.db2.gz UJQZHSNRCPWYPE-KHYOSLBOSA-N 1 1 345.443 0.344 20 30 ECEDMO CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001072797413 788818026 /nfs/dbraw/zinc/81/80/26/788818026.db2.gz WRBVKSYUCGFMAB-HNNXBMFYSA-N 1 1 333.432 0.039 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C#CC1CC1 ZINC001075067283 788842146 /nfs/dbraw/zinc/84/21/46/788842146.db2.gz NHBFPHNDFJNNGV-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@]2(C)CN(C(=O)c3ccn[nH]3)C[C@H]2C)C1=O ZINC001075165315 789007711 /nfs/dbraw/zinc/00/77/11/789007711.db2.gz WHCLKDZLAXYMMQ-QWQRMKEZSA-N 1 1 345.447 0.884 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC001072901531 789072121 /nfs/dbraw/zinc/07/21/21/789072121.db2.gz WAYQCLNLUXKSGZ-UHFFFAOYSA-N 1 1 332.404 0.449 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001072902932 789075308 /nfs/dbraw/zinc/07/53/08/789075308.db2.gz HTHGCYSDUYHIIZ-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001072918047 789110577 /nfs/dbraw/zinc/11/05/77/789110577.db2.gz PLMPWSLSPHDEAP-CQSZACIVSA-N 1 1 327.432 0.478 20 30 ECEDMO CC(C)C#CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001072922487 789119133 /nfs/dbraw/zinc/11/91/33/789119133.db2.gz PVFAXQVIEXITDZ-HNNXBMFYSA-N 1 1 335.448 0.474 20 30 ECEDMO CC(C)C#CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001072922487 789119140 /nfs/dbraw/zinc/11/91/40/789119140.db2.gz PVFAXQVIEXITDZ-HNNXBMFYSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001072985338 789224528 /nfs/dbraw/zinc/22/45/28/789224528.db2.gz IFYJQUFGYXZCDI-KSSFIOAISA-N 1 1 337.464 0.905 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2(C)CCN(C(=O)C#CC(C)C)CC2)C1 ZINC001073011413 789271163 /nfs/dbraw/zinc/27/11/63/789271163.db2.gz FCHLPJKUCOWASU-MRXNPFEDSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2(C)CCN(C(=O)C#CC(C)C)CC2)C1 ZINC001073011413 789271168 /nfs/dbraw/zinc/27/11/68/789271168.db2.gz FCHLPJKUCOWASU-MRXNPFEDSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001073024990 789293718 /nfs/dbraw/zinc/29/37/18/789293718.db2.gz DDGQVGAAMRFJGU-LSDHHAIUSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001073027463 789300652 /nfs/dbraw/zinc/30/06/52/789300652.db2.gz JQQHADUELKUPPS-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cncc(N4CCCC4)n3)C2)C1 ZINC001073036906 789315252 /nfs/dbraw/zinc/31/52/52/789315252.db2.gz PXSCJEOZHSZPHM-UHFFFAOYSA-N 1 1 325.416 0.858 20 30 ECEDMO C#CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001075406722 789332341 /nfs/dbraw/zinc/33/23/41/789332341.db2.gz PMEYIAKUOGJWSM-SJLPKXTDSA-N 1 1 330.432 0.961 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001073074030 789393027 /nfs/dbraw/zinc/39/30/27/789393027.db2.gz YQOUCGHKZPJOCY-UHFFFAOYSA-N 1 1 332.404 0.849 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)Cn3nc4n(c3=O)CCCC4)C2)C1 ZINC001073109279 789454935 /nfs/dbraw/zinc/45/49/35/789454935.db2.gz YOCOSHAHEQKVDA-UHFFFAOYSA-N 1 1 345.447 0.492 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC001073110923 789457402 /nfs/dbraw/zinc/45/74/02/789457402.db2.gz OIYMSLDVGJTGGK-AWEZNQCLSA-N 1 1 331.420 0.964 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCCNC2=O)C3)cn1 ZINC001073138064 789512120 /nfs/dbraw/zinc/51/21/20/789512120.db2.gz ZNCXJWPKOHMXHY-MRXNPFEDSA-N 1 1 338.411 0.489 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001073150195 789531589 /nfs/dbraw/zinc/53/15/89/789531589.db2.gz OCJMBEGCIXLZQT-OAHLLOKOSA-N 1 1 339.461 0.016 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2 ZINC001073152744 789535679 /nfs/dbraw/zinc/53/56/79/789535679.db2.gz LFQLPICFGWGFTF-AWEZNQCLSA-N 1 1 325.412 0.619 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C)no1 ZINC001075590162 789538495 /nfs/dbraw/zinc/53/84/95/789538495.db2.gz HCISRMOELBPOHI-JSGCOSHPSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C)no1 ZINC001075590162 789538500 /nfs/dbraw/zinc/53/85/00/789538500.db2.gz HCISRMOELBPOHI-JSGCOSHPSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001073177385 789572314 /nfs/dbraw/zinc/57/23/14/789572314.db2.gz RRGFMJOLGPMVPP-OAHLLOKOSA-N 1 1 337.464 0.864 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001075619466 789580260 /nfs/dbraw/zinc/58/02/60/789580260.db2.gz DEYPAWXBYMJUQN-VBNZEHGJSA-N 1 1 326.400 0.978 20 30 ECEDMO C[C@@H](CCNC(=O)CSCC#N)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001075675647 789638867 /nfs/dbraw/zinc/63/88/67/789638867.db2.gz ICTORTHATPGISO-STQMWFEESA-N 1 1 326.466 0.596 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](Nc3ccc(C#N)nn3)C(C)(C)C2)C1 ZINC001069572401 789908567 /nfs/dbraw/zinc/90/85/67/789908567.db2.gz VBRHNOGFGZWAAF-OCCSQVGLSA-N 1 1 328.420 0.949 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N(C)C2CC(Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001069791787 790036721 /nfs/dbraw/zinc/03/67/21/790036721.db2.gz GZAQNJSILJHXHX-HESLUPGFSA-N 1 1 342.447 0.902 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2=CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001069815448 790050306 /nfs/dbraw/zinc/05/03/06/790050306.db2.gz JZQWHRFNBGMPPQ-MRXNPFEDSA-N 1 1 341.415 0.537 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001069815448 790050311 /nfs/dbraw/zinc/05/03/11/790050311.db2.gz JZQWHRFNBGMPPQ-MRXNPFEDSA-N 1 1 341.415 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2cnc(F)cn2)CC1 ZINC001069834255 790066399 /nfs/dbraw/zinc/06/63/99/790066399.db2.gz JYOYJOMIHSCOHW-HNNXBMFYSA-N 1 1 343.406 0.966 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2cnc(F)cn2)CC1 ZINC001069834255 790066403 /nfs/dbraw/zinc/06/64/03/790066403.db2.gz JYOYJOMIHSCOHW-HNNXBMFYSA-N 1 1 343.406 0.966 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)c2C1 ZINC001069860883 790113645 /nfs/dbraw/zinc/11/36/45/790113645.db2.gz MPCOPBUTNSEZRX-GOEBONIOSA-N 1 1 342.447 0.713 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3CCCc4[nH+]ccn43)c2C1 ZINC001069863560 790118774 /nfs/dbraw/zinc/11/87/74/790118774.db2.gz YEUQLCOTCYHGHA-OAHLLOKOSA-N 1 1 338.415 0.722 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3CCCC[N@@H+]3CC)c2C1 ZINC001069883601 790150246 /nfs/dbraw/zinc/15/02/46/790150246.db2.gz RKGYZMHLKLQDNB-MRXNPFEDSA-N 1 1 329.448 0.823 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069893972 790162443 /nfs/dbraw/zinc/16/24/43/790162443.db2.gz ZKRRKVOTMYRYRK-KGLIPLIRSA-N 1 1 332.795 0.938 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069893972 790162445 /nfs/dbraw/zinc/16/24/45/790162445.db2.gz ZKRRKVOTMYRYRK-KGLIPLIRSA-N 1 1 332.795 0.938 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2nccnc2N)[C@@H](n2ccnn2)C1 ZINC001069903862 790173713 /nfs/dbraw/zinc/17/37/13/790173713.db2.gz URKOBCDVQUBDAS-OLZOCXBDSA-N 1 1 342.407 0.272 20 30 ECEDMO CC(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069908862 790177932 /nfs/dbraw/zinc/17/79/32/790177932.db2.gz UPTYEAMNIDQOBB-CABCVRRESA-N 1 1 327.392 0.789 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001069910390 790179515 /nfs/dbraw/zinc/17/95/15/790179515.db2.gz SACLBGCHXHKXGO-CVEARBPZSA-N 1 1 326.404 0.833 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001069910390 790179517 /nfs/dbraw/zinc/17/95/17/790179517.db2.gz SACLBGCHXHKXGO-CVEARBPZSA-N 1 1 326.404 0.833 20 30 ECEDMO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911647 790180614 /nfs/dbraw/zinc/18/06/14/790180614.db2.gz DMHWNASMCKLEJX-GLQYFDAESA-N 1 1 343.391 0.168 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnnn2CC)[C@@H](n2ccnn2)C1 ZINC001069921578 790192123 /nfs/dbraw/zinc/19/21/23/790192123.db2.gz OTJSIDOSSOOXNF-OCCSQVGLSA-N 1 1 330.396 0.121 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnnn2CC)[C@@H](n2ccnn2)C1 ZINC001069921578 790192128 /nfs/dbraw/zinc/19/21/28/790192128.db2.gz OTJSIDOSSOOXNF-OCCSQVGLSA-N 1 1 330.396 0.121 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069957235 790239176 /nfs/dbraw/zinc/23/91/76/790239176.db2.gz VPOILRZSJZJDPL-CABCVRRESA-N 1 1 343.435 0.746 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069957235 790239180 /nfs/dbraw/zinc/23/91/80/790239180.db2.gz VPOILRZSJZJDPL-CABCVRRESA-N 1 1 343.435 0.746 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)[C@@H](n2ccnn2)C1 ZINC001069964168 790249252 /nfs/dbraw/zinc/24/92/52/790249252.db2.gz YSUBSYZWQDWEOK-BMFZPTHFSA-N 1 1 341.419 0.265 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)[C@@H](n2ccnn2)C1 ZINC001069964168 790249256 /nfs/dbraw/zinc/24/92/56/790249256.db2.gz YSUBSYZWQDWEOK-BMFZPTHFSA-N 1 1 341.419 0.265 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccncc2CC)[C@@H](n2ccnn2)C1 ZINC001069964027 790249494 /nfs/dbraw/zinc/24/94/94/790249494.db2.gz VDPMHKYCFBMAJP-SJORKVTESA-N 1 1 338.415 0.914 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccncc2CC)[C@@H](n2ccnn2)C1 ZINC001069964027 790249497 /nfs/dbraw/zinc/24/94/97/790249497.db2.gz VDPMHKYCFBMAJP-SJORKVTESA-N 1 1 338.415 0.914 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068819923 791193003 /nfs/dbraw/zinc/19/30/03/791193003.db2.gz OHEHZDRTYDQEBO-JKSUJKDBSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068821825 791198873 /nfs/dbraw/zinc/19/88/73/791198873.db2.gz QPPMCSBKOULGSG-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001068854290 791269819 /nfs/dbraw/zinc/26/98/19/791269819.db2.gz AJGMOQQZTNYMNU-HUUCEWRRSA-N 1 1 333.432 0.226 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC(C)C)CO2 ZINC001068858833 791278889 /nfs/dbraw/zinc/27/88/89/791278889.db2.gz KHZCAIJCXGSREC-MRXNPFEDSA-N 1 1 349.475 0.864 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC(C)C)CO2 ZINC001068859789 791281982 /nfs/dbraw/zinc/28/19/82/791281982.db2.gz VYLGXAWWFDMUAI-HNNXBMFYSA-N 1 1 344.415 0.337 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)[C@@H]1C ZINC001068862103 791290085 /nfs/dbraw/zinc/29/00/85/791290085.db2.gz SVLJLSFODONKJL-SMDDNHRTSA-N 1 1 325.376 0.955 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068873652 791318356 /nfs/dbraw/zinc/31/83/56/791318356.db2.gz GIMATLNSMOUNHL-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068890564 791351872 /nfs/dbraw/zinc/35/18/72/791351872.db2.gz XUPMGJFDXZEQSF-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068891266 791352713 /nfs/dbraw/zinc/35/27/13/791352713.db2.gz KEYJGFDXRYBKPS-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCOCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@H+](C)C(C)C)CO2 ZINC001068899057 791366835 /nfs/dbraw/zinc/36/68/35/791366835.db2.gz FHVBLJYVBRDUOH-CQSZACIVSA-N 1 1 339.436 0.015 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)[C@H]1C ZINC001068919663 791421226 /nfs/dbraw/zinc/42/12/26/791421226.db2.gz DHAMDSLGHLKOPJ-CHWSQXEVSA-N 1 1 325.376 0.377 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001068925386 791435552 /nfs/dbraw/zinc/43/55/52/791435552.db2.gz XCVVNSHVJLSTHN-AWEZNQCLSA-N 1 1 332.404 0.644 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068944642 791479388 /nfs/dbraw/zinc/47/93/88/791479388.db2.gz JXJXSWFLEAXXJE-UONOGXRCSA-N 1 1 335.448 0.779 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066735941 792068428 /nfs/dbraw/zinc/06/84/28/792068428.db2.gz ARPCPUVLQWHUTK-PBHICJAKSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066735941 792068439 /nfs/dbraw/zinc/06/84/39/792068439.db2.gz ARPCPUVLQWHUTK-PBHICJAKSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066750143 792097594 /nfs/dbraw/zinc/09/75/94/792097594.db2.gz JUPMKWMKYRKBTG-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1n[nH]cc1F ZINC001067709234 792165024 /nfs/dbraw/zinc/16/50/24/792165024.db2.gz CNGRKXMZKATCIZ-AWEZNQCLSA-N 1 1 349.410 0.567 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1n[nH]cc1F ZINC001067709234 792165029 /nfs/dbraw/zinc/16/50/29/792165029.db2.gz CNGRKXMZKATCIZ-AWEZNQCLSA-N 1 1 349.410 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC001067709265 792165580 /nfs/dbraw/zinc/16/55/80/792165580.db2.gz GEUIGIFJXVBNOZ-IXDOHACOSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC001067709265 792165589 /nfs/dbraw/zinc/16/55/89/792165589.db2.gz GEUIGIFJXVBNOZ-IXDOHACOSA-N 1 1 349.475 0.958 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1CN(C)c1nccnc1C#N ZINC001067782385 792278722 /nfs/dbraw/zinc/27/87/22/792278722.db2.gz SWLGXJWMBKEVQP-CQSZACIVSA-N 1 1 339.403 0.981 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1C ZINC001067979384 792536516 /nfs/dbraw/zinc/53/65/16/792536516.db2.gz BBZOWVCKSWHNJK-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(c3nccnc3C#N)CC2(C)C)C1 ZINC001068113700 792694262 /nfs/dbraw/zinc/69/42/62/792694262.db2.gz POLWZHIWUVQZPT-OCCSQVGLSA-N 1 1 328.420 0.631 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2cnc(C#N)cn2)[C@@H](C)C1 ZINC001067107921 792705263 /nfs/dbraw/zinc/70/52/63/792705263.db2.gz GWCWALLKZIHKRT-FZMZJTMJSA-N 1 1 325.376 0.812 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001068208341 792829715 /nfs/dbraw/zinc/82/97/15/792829715.db2.gz JEYSYAGQUSQXMN-LVQVYYBASA-N 1 1 340.431 0.631 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001067292654 792945981 /nfs/dbraw/zinc/94/59/81/792945981.db2.gz SYZKTGYNRRLANI-QAPCUYQASA-N 1 1 339.480 0.962 20 30 ECEDMO CN(CCCN(C)C(=O)CC[NH+]1CCOCC1)C(=O)C#CC1CC1 ZINC001067373747 793054961 /nfs/dbraw/zinc/05/49/61/793054961.db2.gz HNCHQWMFBXGBIB-UHFFFAOYSA-N 1 1 335.448 0.429 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCCN(C)C(=O)C#CC2CC2)C1 ZINC001067377907 793060459 /nfs/dbraw/zinc/06/04/59/793060459.db2.gz LYTYFQBXZRTHAL-INIZCTEOSA-N 1 1 335.448 0.427 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCCN(C)C(=O)C#CC2CC2)C1 ZINC001067377907 793060466 /nfs/dbraw/zinc/06/04/66/793060466.db2.gz LYTYFQBXZRTHAL-INIZCTEOSA-N 1 1 335.448 0.427 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1C ZINC001067421583 793130337 /nfs/dbraw/zinc/13/03/37/793130337.db2.gz XPNIGWSPPNEBLA-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001067427735 793142010 /nfs/dbraw/zinc/14/20/10/793142010.db2.gz OEVFZEJUUHBICL-UHFFFAOYSA-N 1 1 334.420 0.538 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CN(C(=O)C#CC(C)C)CCO2 ZINC001068394652 793200108 /nfs/dbraw/zinc/20/01/08/793200108.db2.gz BFPWMRBOMFRMJA-UHFFFAOYSA-N 1 1 349.475 0.816 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001068398930 793215720 /nfs/dbraw/zinc/21/57/20/793215720.db2.gz JVFPWFSKKXFSBY-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001068399059 793216509 /nfs/dbraw/zinc/21/65/09/793216509.db2.gz OSKKOKBSNNDVCC-HZPDHXFCSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068434998 793309367 /nfs/dbraw/zinc/30/93/67/793309367.db2.gz KIGBPWRFQYVSQG-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)C2=COCCO2)C1 ZINC001267443263 837425612 /nfs/dbraw/zinc/42/56/12/837425612.db2.gz NRZPEODKQNARNF-LSDHHAIUSA-N 1 1 349.431 0.325 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)C2=COCCO2)C1 ZINC001267443263 837425615 /nfs/dbraw/zinc/42/56/15/837425615.db2.gz NRZPEODKQNARNF-LSDHHAIUSA-N 1 1 349.431 0.325 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001267466295 837472035 /nfs/dbraw/zinc/47/20/35/837472035.db2.gz MWUSLXQXPZBXCH-HNNXBMFYSA-N 1 1 348.447 0.909 20 30 ECEDMO C#CCN1CCC(C(=O)N(C)CC[NH2+]CCN2CCCC2=O)CC1 ZINC001267473725 837499542 /nfs/dbraw/zinc/49/95/42/837499542.db2.gz JETCRWVHDXGHJN-UHFFFAOYSA-N 1 1 334.464 0.002 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001267482725 837540523 /nfs/dbraw/zinc/54/05/23/837540523.db2.gz NIACZEGLURIHHI-CHWSQXEVSA-N 1 1 333.436 0.931 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)CS(=O)(=O)NC)C1 ZINC001267496268 837568081 /nfs/dbraw/zinc/56/80/81/837568081.db2.gz QBHCSNNVLYZDPQ-AWEZNQCLSA-N 1 1 331.482 0.815 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1ccnnc1C)C(C)C ZINC001267504627 837587407 /nfs/dbraw/zinc/58/74/07/837587407.db2.gz VISYGHPBIRBOHF-UHFFFAOYSA-N 1 1 331.420 0.365 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)n2cccn2)C1 ZINC001267507061 837593274 /nfs/dbraw/zinc/59/32/74/837593274.db2.gz AMHKVBYNSPWSJS-HUUCEWRRSA-N 1 1 333.436 0.575 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cncnc2C)C1 ZINC001267509801 837599645 /nfs/dbraw/zinc/59/96/45/837599645.db2.gz WWKZWKDOFFIVIC-HUUCEWRRSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccncc2F)C1 ZINC001267513509 837607050 /nfs/dbraw/zinc/60/70/50/837607050.db2.gz KOUYUYJBBTYMEG-KGLIPLIRSA-N 1 1 346.406 0.800 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267523063 837677811 /nfs/dbraw/zinc/67/78/11/837677811.db2.gz GBOAIXZJSDDNSU-CQSZACIVSA-N 1 1 334.420 0.026 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C2=CCCC2)C1 ZINC001267524007 837682374 /nfs/dbraw/zinc/68/23/74/837682374.db2.gz NHWBULLTOIEBJP-CQSZACIVSA-N 1 1 348.447 0.937 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC001267538720 837720116 /nfs/dbraw/zinc/72/01/16/837720116.db2.gz WOVWBETYQSJINA-OKILXGFUSA-N 1 1 338.452 0.572 20 30 ECEDMO CCCN(C(=O)C#CC(C)C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267541433 837727732 /nfs/dbraw/zinc/72/77/32/837727732.db2.gz AQMIFWYWBMJMSF-ZIAGYGMSSA-N 1 1 336.436 0.542 20 30 ECEDMO CCCN(C(=O)C#CC(C)C)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267541433 837727738 /nfs/dbraw/zinc/72/77/38/837727738.db2.gz AQMIFWYWBMJMSF-ZIAGYGMSSA-N 1 1 336.436 0.542 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccncc2F)C1 ZINC001267553214 837756485 /nfs/dbraw/zinc/75/64/85/837756485.db2.gz CJQKVWFXFDAYEZ-GFCCVEGCSA-N 1 1 333.367 0.302 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001267552300 837757494 /nfs/dbraw/zinc/75/74/94/837757494.db2.gz MBRKOSCTESLFCW-XHSDSOJGSA-N 1 1 335.448 0.379 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC001267574651 837822642 /nfs/dbraw/zinc/82/26/42/837822642.db2.gz ORCZLGAWIKICMW-UHFFFAOYSA-N 1 1 325.416 0.886 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2snnc2C)C1 ZINC001267576901 837831877 /nfs/dbraw/zinc/83/18/77/837831877.db2.gz BASWVLQXOVQHPO-CHWSQXEVSA-N 1 1 349.460 0.378 20 30 ECEDMO Cc1nnc([C@H](C)N2CC[NH+](CCCNC(=O)[C@H](C)C#N)CC2)o1 ZINC001266259993 835569667 /nfs/dbraw/zinc/56/96/67/835569667.db2.gz MGXAOZOMMWNRIW-OLZOCXBDSA-N 1 1 334.424 0.723 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCNC(=O)/C=C(/C)CC)CC1 ZINC001266263138 835574797 /nfs/dbraw/zinc/57/47/97/835574797.db2.gz VWKBTIAFURYDKT-PEZBUJJGSA-N 1 1 334.464 0.216 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)c2nc(C)c(C)[nH]c2=O)CC1 ZINC001266267161 835584140 /nfs/dbraw/zinc/58/41/40/835584140.db2.gz QGXXNMGNBNUQAQ-UHFFFAOYSA-N 1 1 333.436 0.723 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001266275422 835599029 /nfs/dbraw/zinc/59/90/29/835599029.db2.gz YMSSITUCDCCLSG-CWRNSKLLSA-N 1 1 328.416 0.371 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001266275422 835599030 /nfs/dbraw/zinc/59/90/30/835599030.db2.gz YMSSITUCDCCLSG-CWRNSKLLSA-N 1 1 328.416 0.371 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cn3c(n2)CCCC3)C1=O ZINC001266280934 835609269 /nfs/dbraw/zinc/60/92/69/835609269.db2.gz YWJUBWQFHXPPNO-OAHLLOKOSA-N 1 1 345.447 0.668 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cn3c(n2)CCCC3)C1=O ZINC001266280934 835609272 /nfs/dbraw/zinc/60/92/72/835609272.db2.gz YWJUBWQFHXPPNO-OAHLLOKOSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2coc(C(F)(F)F)n2)CC1 ZINC001266287938 835630149 /nfs/dbraw/zinc/63/01/49/835630149.db2.gz LLCLMUMRHMXUJT-UHFFFAOYSA-N 1 1 330.310 0.674 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 ZINC001266289908 835633398 /nfs/dbraw/zinc/63/33/98/835633398.db2.gz HARVWONLTHHCTB-OAHLLOKOSA-N 1 1 336.480 0.294 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2ccccc2C1 ZINC001266330547 835711738 /nfs/dbraw/zinc/71/17/38/835711738.db2.gz ZDARSRBMFFQYEL-QAPCUYQASA-N 1 1 341.455 0.977 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2ccccc2C1 ZINC001266330547 835711741 /nfs/dbraw/zinc/71/17/41/835711741.db2.gz ZDARSRBMFFQYEL-QAPCUYQASA-N 1 1 341.455 0.977 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266330671 835711823 /nfs/dbraw/zinc/71/18/23/835711823.db2.gz HJMUMLHOEJKVGK-MRXNPFEDSA-N 1 1 345.447 0.583 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2nccc3occc32)C1 ZINC001266331445 835713461 /nfs/dbraw/zinc/71/34/61/835713461.db2.gz QKYPANXYROWLCM-CHWSQXEVSA-N 1 1 340.383 0.770 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2nccc3occc32)C1 ZINC001266331445 835713465 /nfs/dbraw/zinc/71/34/65/835713465.db2.gz QKYPANXYROWLCM-CHWSQXEVSA-N 1 1 340.383 0.770 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001266338144 835722288 /nfs/dbraw/zinc/72/22/88/835722288.db2.gz XYQQXSGEZVZORW-SECBINFHSA-N 1 1 347.341 0.781 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001266338144 835722293 /nfs/dbraw/zinc/72/22/93/835722293.db2.gz XYQQXSGEZVZORW-SECBINFHSA-N 1 1 347.341 0.781 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001266345202 835734820 /nfs/dbraw/zinc/73/48/20/835734820.db2.gz PVDUNLZOINXJKW-CVEARBPZSA-N 1 1 333.436 0.582 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001266345202 835734827 /nfs/dbraw/zinc/73/48/27/835734827.db2.gz PVDUNLZOINXJKW-CVEARBPZSA-N 1 1 333.436 0.582 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001266350800 835747860 /nfs/dbraw/zinc/74/78/60/835747860.db2.gz YCQDWCNTGHCMOC-OAHLLOKOSA-N 1 1 334.420 0.253 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001266362325 835774139 /nfs/dbraw/zinc/77/41/39/835774139.db2.gz DCJYOHRJQVPCMN-KRWDZBQOSA-N 1 1 337.427 0.940 20 30 ECEDMO C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001266362325 835774149 /nfs/dbraw/zinc/77/41/49/835774149.db2.gz DCJYOHRJQVPCMN-KRWDZBQOSA-N 1 1 337.427 0.940 20 30 ECEDMO C=CCNC(=O)CN1CCC2(C[C@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001266374418 835787227 /nfs/dbraw/zinc/78/72/27/835787227.db2.gz YGPLUOPFTPBHHX-HUUCEWRRSA-N 1 1 336.480 0.600 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC(C)C)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001266387864 835797383 /nfs/dbraw/zinc/79/73/83/835797383.db2.gz JQHYVVBZXQQFBR-HZPDHXFCSA-N 1 1 337.464 0.768 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC(C)C)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001266387864 835797391 /nfs/dbraw/zinc/79/73/91/835797391.db2.gz JQHYVVBZXQQFBR-HZPDHXFCSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1c(F)cncc1F ZINC001266393216 835799421 /nfs/dbraw/zinc/79/94/21/835799421.db2.gz ZFXJNQFMEVSCOD-LLVKDONJSA-N 1 1 338.358 0.549 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1c(F)cncc1F ZINC001266393216 835799433 /nfs/dbraw/zinc/79/94/33/835799433.db2.gz ZFXJNQFMEVSCOD-LLVKDONJSA-N 1 1 338.358 0.549 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001266390663 835799730 /nfs/dbraw/zinc/79/97/30/835799730.db2.gz GXYCHPXOMSXHPT-ZBFHGGJFSA-N 1 1 335.448 0.522 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001266390663 835799740 /nfs/dbraw/zinc/79/97/40/835799740.db2.gz GXYCHPXOMSXHPT-ZBFHGGJFSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2c(C)cnn2C)C1=O ZINC001266411325 835816340 /nfs/dbraw/zinc/81/63/40/835816340.db2.gz RHRBMWXSTWLAQR-CQSZACIVSA-N 1 1 333.436 0.567 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1ccnc(N(C)C)c1 ZINC001266421292 835825098 /nfs/dbraw/zinc/82/50/98/835825098.db2.gz STPOLHDUQCLZIF-CQSZACIVSA-N 1 1 345.447 0.337 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1ccnc(N(C)C)c1 ZINC001266421292 835825103 /nfs/dbraw/zinc/82/51/03/835825103.db2.gz STPOLHDUQCLZIF-CQSZACIVSA-N 1 1 345.447 0.337 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1c(C)nn(CC)c1C ZINC001266422708 835827067 /nfs/dbraw/zinc/82/70/67/835827067.db2.gz MPBBAXKPOKRFQH-HNNXBMFYSA-N 1 1 347.463 0.709 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1c(C)nn(CC)c1C ZINC001266422708 835827071 /nfs/dbraw/zinc/82/70/71/835827071.db2.gz MPBBAXKPOKRFQH-HNNXBMFYSA-N 1 1 347.463 0.709 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CCC[N@@H+]1[C@H]1CCN(C2CCC2)C1=O ZINC001266453595 835856564 /nfs/dbraw/zinc/85/65/64/835856564.db2.gz IOGIZPFAASMMCX-CVEARBPZSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCN(C2CCC2)C1=O ZINC001266453595 835856570 /nfs/dbraw/zinc/85/65/70/835856570.db2.gz IOGIZPFAASMMCX-CVEARBPZSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001266453116 835856636 /nfs/dbraw/zinc/85/66/36/835856636.db2.gz YERUOHDJGWFVBT-JKSUJKDBSA-N 1 1 335.448 0.333 20 30 ECEDMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001266456558 835859387 /nfs/dbraw/zinc/85/93/87/835859387.db2.gz ZGWCMJJJCYUKTA-AWEZNQCLSA-N 1 1 334.420 0.026 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1nccn1CC ZINC001266457261 835860628 /nfs/dbraw/zinc/86/06/28/835860628.db2.gz ICWUNLJGZQZBRH-ZIAGYGMSSA-N 1 1 333.436 0.788 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1nccn1CC ZINC001266457261 835860630 /nfs/dbraw/zinc/86/06/30/835860630.db2.gz ICWUNLJGZQZBRH-ZIAGYGMSSA-N 1 1 333.436 0.788 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccnn1CC ZINC001266457239 835861147 /nfs/dbraw/zinc/86/11/47/835861147.db2.gz HUZLSDWFIYXEPA-KGLIPLIRSA-N 1 1 333.436 0.788 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccnn1CC ZINC001266457239 835861151 /nfs/dbraw/zinc/86/11/51/835861151.db2.gz HUZLSDWFIYXEPA-KGLIPLIRSA-N 1 1 333.436 0.788 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1coc(OCC)n1 ZINC001266471217 835874214 /nfs/dbraw/zinc/87/42/14/835874214.db2.gz KTZDWSAXHXMZAI-STQMWFEESA-N 1 1 348.403 0.405 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1coc(OCC)n1 ZINC001266471217 835874220 /nfs/dbraw/zinc/87/42/20/835874220.db2.gz KTZDWSAXHXMZAI-STQMWFEESA-N 1 1 348.403 0.405 20 30 ECEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001266473360 835875637 /nfs/dbraw/zinc/87/56/37/835875637.db2.gz ZQHGIGHFOAIJMO-HOCLYGCPSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001266471961 835876581 /nfs/dbraw/zinc/87/65/81/835876581.db2.gz ZPKDGVDBQWPQQW-GJZGRUSLSA-N 1 1 330.432 0.964 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001266471961 835876585 /nfs/dbraw/zinc/87/65/85/835876585.db2.gz ZPKDGVDBQWPQQW-GJZGRUSLSA-N 1 1 330.432 0.964 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001299154890 835882763 /nfs/dbraw/zinc/88/27/63/835882763.db2.gz BAEHUCXIZJIOEE-OAHLLOKOSA-N 1 1 335.448 0.379 20 30 ECEDMO C=CCNC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001266489656 835889269 /nfs/dbraw/zinc/88/92/69/835889269.db2.gz MWDCPDMLCJCNHB-MWDXBVQZSA-N 1 1 348.491 0.837 20 30 ECEDMO CCCC[C@H](NC(N)=O)C(=O)NC[C@H]1CCC[N@H+]1CC#CCOC ZINC001266497546 835897762 /nfs/dbraw/zinc/89/77/62/835897762.db2.gz HWLLFHDTIBBLEC-CABCVRRESA-N 1 1 338.452 0.444 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001266505465 835906486 /nfs/dbraw/zinc/90/64/86/835906486.db2.gz KYAZGTWCWUGISX-GDBMZVCRSA-N 1 1 345.447 0.930 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001266505465 835906499 /nfs/dbraw/zinc/90/64/99/835906499.db2.gz KYAZGTWCWUGISX-GDBMZVCRSA-N 1 1 345.447 0.930 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccnn2C2CCC2)C1 ZINC001266513821 835924562 /nfs/dbraw/zinc/92/45/62/835924562.db2.gz HPHVRQGNQAGSMH-AWEZNQCLSA-N 1 1 343.431 0.409 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2cccnc2)C1 ZINC001266520084 835931766 /nfs/dbraw/zinc/93/17/66/835931766.db2.gz FVGGXFXNDGLONP-HNNXBMFYSA-N 1 1 342.443 0.547 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001266520529 835934075 /nfs/dbraw/zinc/93/40/75/835934075.db2.gz OPDMBIOUALXQKO-HZPDHXFCSA-N 1 1 349.479 0.185 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCc2ccnc(C)n2)C1 ZINC001266523092 835937839 /nfs/dbraw/zinc/93/78/39/835937839.db2.gz GHQWMFPRJPIZID-OAHLLOKOSA-N 1 1 345.447 0.458 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC001266526083 835941277 /nfs/dbraw/zinc/94/12/77/835941277.db2.gz QOASUTVEMOEOFM-AWEZNQCLSA-N 1 1 345.509 0.918 20 30 ECEDMO CCCc1occc1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266544596 835965589 /nfs/dbraw/zinc/96/55/89/835965589.db2.gz DRNSTNKNRMHZMN-ZDUSSCGKSA-N 1 1 332.404 0.924 20 30 ECEDMO CCCc1occc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266544596 835965594 /nfs/dbraw/zinc/96/55/94/835965594.db2.gz DRNSTNKNRMHZMN-ZDUSSCGKSA-N 1 1 332.404 0.924 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)/C=C\c1ccc[nH]1)C1CC1 ZINC001266591033 836021761 /nfs/dbraw/zinc/02/17/61/836021761.db2.gz XLAXDLSSYPFBBT-DEBLGDTFSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)/C=C\c1ccc[nH]1)C1CC1 ZINC001266591033 836021770 /nfs/dbraw/zinc/02/17/70/836021770.db2.gz XLAXDLSSYPFBBT-DEBLGDTFSA-N 1 1 328.416 0.746 20 30 ECEDMO O=C(C#CC1CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001266648417 836083967 /nfs/dbraw/zinc/08/39/67/836083967.db2.gz ZCXQGVFGJDDGQQ-HQSKLWIPSA-N 1 1 342.443 0.769 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccon2)C1 ZINC001266655517 836091683 /nfs/dbraw/zinc/09/16/83/836091683.db2.gz ANXUWPFCCNTEPL-DZGCQCFKSA-N 1 1 332.404 0.903 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266751184 836242765 /nfs/dbraw/zinc/24/27/65/836242765.db2.gz CTJBHCQKANZHGE-CVEARBPZSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266751184 836242774 /nfs/dbraw/zinc/24/27/74/836242774.db2.gz CTJBHCQKANZHGE-CVEARBPZSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1ccc2cncn2c1C ZINC001266754988 836249035 /nfs/dbraw/zinc/24/90/35/836249035.db2.gz ZNDMMCZSAKBEKV-UHFFFAOYSA-N 1 1 329.404 0.607 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001266755737 836251875 /nfs/dbraw/zinc/25/18/75/836251875.db2.gz UCYUGFBNXSTTLV-JKSUJKDBSA-N 1 1 335.448 0.381 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001266761178 836262533 /nfs/dbraw/zinc/26/25/33/836262533.db2.gz VWDPIIYCBPISHD-WLYUNCDWSA-N 1 1 338.427 0.983 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001266761178 836262541 /nfs/dbraw/zinc/26/25/41/836262541.db2.gz VWDPIIYCBPISHD-WLYUNCDWSA-N 1 1 338.427 0.983 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccnc(C)c2)C1 ZINC001266764002 836267238 /nfs/dbraw/zinc/26/72/38/836267238.db2.gz KRNZEKSGBBTFOU-JKSUJKDBSA-N 1 1 342.443 0.970 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001266764384 836268689 /nfs/dbraw/zinc/26/86/89/836268689.db2.gz QDEJDUCDBLOTMZ-HNNXBMFYSA-N 1 1 325.453 0.932 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001266766224 836271489 /nfs/dbraw/zinc/27/14/89/836271489.db2.gz FFLRHUIVVURJSK-MRXNPFEDSA-N 1 1 348.447 0.621 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCCn2ccnc2)C1 ZINC001266770448 836280163 /nfs/dbraw/zinc/28/01/63/836280163.db2.gz WGAPQRUKCGGVAU-MRXNPFEDSA-N 1 1 345.447 0.241 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(C)C ZINC001266840346 836365273 /nfs/dbraw/zinc/36/52/73/836365273.db2.gz SJRSQWIZRZOKIH-YOEHRIQHSA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(C)C ZINC001266840346 836365283 /nfs/dbraw/zinc/36/52/83/836365283.db2.gz SJRSQWIZRZOKIH-YOEHRIQHSA-N 1 1 325.453 0.809 20 30 ECEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001266841731 836368018 /nfs/dbraw/zinc/36/80/18/836368018.db2.gz BKETVIWSNLCBNR-CQSZACIVSA-N 1 1 330.450 0.204 20 30 ECEDMO C=CCOCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001266841731 836368023 /nfs/dbraw/zinc/36/80/23/836368023.db2.gz BKETVIWSNLCBNR-CQSZACIVSA-N 1 1 330.450 0.204 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)COc1cc(C)on1 ZINC001266845074 836373604 /nfs/dbraw/zinc/37/36/04/836373604.db2.gz SZHYUNXNRVDRNC-CQSZACIVSA-N 1 1 348.403 0.082 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)COc1cc(C)on1 ZINC001266845074 836373615 /nfs/dbraw/zinc/37/36/15/836373615.db2.gz SZHYUNXNRVDRNC-CQSZACIVSA-N 1 1 348.403 0.082 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@@H](O)COC)c1 ZINC001266852870 836384573 /nfs/dbraw/zinc/38/45/73/836384573.db2.gz ALWQPRSDZIWMDO-IAGOWNOFSA-N 1 1 331.416 0.655 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001266853072 836386262 /nfs/dbraw/zinc/38/62/62/836386262.db2.gz DXFINHHOXJOIGF-NSHDSACASA-N 1 1 338.433 0.735 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001266853072 836386268 /nfs/dbraw/zinc/38/62/68/836386268.db2.gz DXFINHHOXJOIGF-NSHDSACASA-N 1 1 338.433 0.735 20 30 ECEDMO Cc1ncc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001266890556 836440024 /nfs/dbraw/zinc/44/00/24/836440024.db2.gz GPUJTENQZPVIMS-YPMHNXCESA-N 1 1 332.408 0.188 20 30 ECEDMO Cc1ncc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001266890556 836440032 /nfs/dbraw/zinc/44/00/32/836440032.db2.gz GPUJTENQZPVIMS-YPMHNXCESA-N 1 1 332.408 0.188 20 30 ECEDMO C[C@@H](NC(=O)COCC1CC1)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266894475 836443590 /nfs/dbraw/zinc/44/35/90/836443590.db2.gz ZLSMLBZXUBSLOT-HIFRSBDPSA-N 1 1 336.436 0.269 20 30 ECEDMO C[C@@H](NC(=O)COCC1CC1)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266894475 836443594 /nfs/dbraw/zinc/44/35/94/836443594.db2.gz ZLSMLBZXUBSLOT-HIFRSBDPSA-N 1 1 336.436 0.269 20 30 ECEDMO C[C@H](NC(=O)COCC1CC1)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266894479 836443875 /nfs/dbraw/zinc/44/38/75/836443875.db2.gz ZLSMLBZXUBSLOT-ZFWWWQNUSA-N 1 1 336.436 0.269 20 30 ECEDMO C[C@H](NC(=O)COCC1CC1)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266894479 836443879 /nfs/dbraw/zinc/44/38/79/836443879.db2.gz ZLSMLBZXUBSLOT-ZFWWWQNUSA-N 1 1 336.436 0.269 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266894625 836444299 /nfs/dbraw/zinc/44/42/99/836444299.db2.gz WKPNAHUPOHGUNT-GXTWGEPZSA-N 1 1 342.403 0.356 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266894625 836444305 /nfs/dbraw/zinc/44/43/05/836444305.db2.gz WKPNAHUPOHGUNT-GXTWGEPZSA-N 1 1 342.403 0.356 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ncccc2C)C1 ZINC001266895239 836446407 /nfs/dbraw/zinc/44/64/07/836446407.db2.gz ZJQMKDPCLGZYMO-JKSUJKDBSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CC=CCC1 ZINC001266901008 836453938 /nfs/dbraw/zinc/45/39/38/836453938.db2.gz DTBYLHVLEKGLHY-CLLBMXBRSA-N 1 1 329.444 0.917 20 30 ECEDMO CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1(C)C ZINC001266903066 836458275 /nfs/dbraw/zinc/45/82/75/836458275.db2.gz HTTJMNKDUXRJLE-VUBIOHBQSA-N 1 1 344.459 0.911 20 30 ECEDMO CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1(C)C ZINC001266903066 836458279 /nfs/dbraw/zinc/45/82/79/836458279.db2.gz HTTJMNKDUXRJLE-VUBIOHBQSA-N 1 1 344.459 0.911 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC001266904772 836462077 /nfs/dbraw/zinc/46/20/77/836462077.db2.gz JLALSRQUPPTSBS-FAHYXWLWSA-N 1 1 348.447 0.337 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC001266904772 836462081 /nfs/dbraw/zinc/46/20/81/836462081.db2.gz JLALSRQUPPTSBS-FAHYXWLWSA-N 1 1 348.447 0.337 20 30 ECEDMO C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001266914365 836472362 /nfs/dbraw/zinc/47/23/62/836472362.db2.gz HXRCQXQREJKIFT-WLYUNCDWSA-N 1 1 345.447 0.355 20 30 ECEDMO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCNS(C)(=O)=O ZINC001279541222 836500404 /nfs/dbraw/zinc/50/04/04/836500404.db2.gz IMYPNUAPGJLIHL-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1nc(CC(C)C)no1 ZINC001266951940 836517967 /nfs/dbraw/zinc/51/79/67/836517967.db2.gz YFDSKJUDPYLOIL-CABCVRRESA-N 1 1 347.463 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1nc(CC(C)C)no1 ZINC001266951940 836517975 /nfs/dbraw/zinc/51/79/75/836517975.db2.gz YFDSKJUDPYLOIL-CABCVRRESA-N 1 1 347.463 0.960 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2CCC)cc1 ZINC001266961612 836531728 /nfs/dbraw/zinc/53/17/28/836531728.db2.gz UVOXYKVUVPDFJI-CYBMUJFWSA-N 1 1 326.404 0.973 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)N(C)CC ZINC001279566162 836727071 /nfs/dbraw/zinc/72/70/71/836727071.db2.gz OSIPNVDQRAJOEI-OWCLPIDISA-N 1 1 335.448 0.568 20 30 ECEDMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001267104402 836781421 /nfs/dbraw/zinc/78/14/21/836781421.db2.gz BGTORYVZLDZSBN-OLZOCXBDSA-N 1 1 336.436 0.542 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001267108254 836790910 /nfs/dbraw/zinc/79/09/10/836790910.db2.gz NPKPTEXFXAZSKO-GFCCVEGCSA-N 1 1 333.392 0.021 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001267108254 836790917 /nfs/dbraw/zinc/79/09/17/836790917.db2.gz NPKPTEXFXAZSKO-GFCCVEGCSA-N 1 1 333.392 0.021 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267114345 836804826 /nfs/dbraw/zinc/80/48/26/836804826.db2.gz CVQNURKUBCQRSC-ZIAGYGMSSA-N 1 1 336.436 0.816 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CCCS1(=O)=O ZINC001267167430 836890296 /nfs/dbraw/zinc/89/02/96/836890296.db2.gz FJYDTLLFZXGINZ-AWEZNQCLSA-N 1 1 329.466 0.569 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001267204758 836983258 /nfs/dbraw/zinc/98/32/58/836983258.db2.gz KZROCXUGBVWLIO-IUODEOHRSA-N 1 1 347.463 0.706 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001267204758 836983268 /nfs/dbraw/zinc/98/32/68/836983268.db2.gz KZROCXUGBVWLIO-IUODEOHRSA-N 1 1 347.463 0.706 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1c[nH]c2cnccc12 ZINC001267213167 837002877 /nfs/dbraw/zinc/00/28/77/837002877.db2.gz BKEPUHRZDCAGSF-ZDUSSCGKSA-N 1 1 341.415 0.291 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1c[nH]c2cnccc12 ZINC001267213167 837002887 /nfs/dbraw/zinc/00/28/87/837002887.db2.gz BKEPUHRZDCAGSF-ZDUSSCGKSA-N 1 1 341.415 0.291 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)CC#Cc2ccccc2)C1 ZINC001267231267 837035866 /nfs/dbraw/zinc/03/58/66/837035866.db2.gz TXBITHCBEGKPQC-GOSISDBHSA-N 1 1 329.444 0.807 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)CC#Cc2ccccc2)C1 ZINC001267231267 837035876 /nfs/dbraw/zinc/03/58/76/837035876.db2.gz TXBITHCBEGKPQC-GOSISDBHSA-N 1 1 329.444 0.807 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C)n(C(C)C)n1 ZINC001267234147 837039664 /nfs/dbraw/zinc/03/96/64/837039664.db2.gz GKUKYSFTJOHUFA-AWEZNQCLSA-N 1 1 333.436 0.572 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc(C)n(C(C)C)n1 ZINC001267234147 837039676 /nfs/dbraw/zinc/03/96/76/837039676.db2.gz GKUKYSFTJOHUFA-AWEZNQCLSA-N 1 1 333.436 0.572 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCCN(C)[C@H](C)c2n[nH]c(CC)n2)CC1 ZINC001267233480 837040409 /nfs/dbraw/zinc/04/04/09/837040409.db2.gz UWRDUSOIZRXPOV-CQSZACIVSA-N 1 1 346.479 0.821 20 30 ECEDMO CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C(=O)NCC(F)F ZINC001267245801 837060874 /nfs/dbraw/zinc/06/08/74/837060874.db2.gz TUTXEFRVEZOPSH-UHFFFAOYSA-N 1 1 337.370 0.858 20 30 ECEDMO CC[N@H+](CC#Cc1ccccc1)CCNC(=O)C(=O)NCC(F)F ZINC001267245801 837060883 /nfs/dbraw/zinc/06/08/83/837060883.db2.gz TUTXEFRVEZOPSH-UHFFFAOYSA-N 1 1 337.370 0.858 20 30 ECEDMO CC[N@H+](CCNC(=O)c1c[nH]nc1-c1ccco1)CC(=O)NCC#N ZINC001267256368 837079750 /nfs/dbraw/zinc/07/97/50/837079750.db2.gz SRSSRJFJAVBPFS-UHFFFAOYSA-N 1 1 344.375 0.361 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1c[nH]nc1-c1ccco1)CC(=O)NCC#N ZINC001267256368 837079759 /nfs/dbraw/zinc/07/97/59/837079759.db2.gz SRSSRJFJAVBPFS-UHFFFAOYSA-N 1 1 344.375 0.361 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H](C)c1cccnc1 ZINC001267256108 837081922 /nfs/dbraw/zinc/08/19/22/837081922.db2.gz XRZMOARJKTYBTH-HUUCEWRRSA-N 1 1 330.432 0.761 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H](C)c1cccnc1 ZINC001267256108 837081936 /nfs/dbraw/zinc/08/19/36/837081936.db2.gz XRZMOARJKTYBTH-HUUCEWRRSA-N 1 1 330.432 0.761 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@@H]2CNC(=O)CSCC#N)n1 ZINC001267261940 837093445 /nfs/dbraw/zinc/09/34/45/837093445.db2.gz SANCHJGJDGGLQV-CQSZACIVSA-N 1 1 336.465 0.732 20 30 ECEDMO CC(=O)NCCOCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001267264984 837101794 /nfs/dbraw/zinc/10/17/94/837101794.db2.gz XTZGNLRFRRDORL-OAHLLOKOSA-N 1 1 347.419 0.233 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC001267266186 837103700 /nfs/dbraw/zinc/10/37/00/837103700.db2.gz HKGPOODPCWWXND-CQSZACIVSA-N 1 1 348.451 0.434 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC001267266186 837103708 /nfs/dbraw/zinc/10/37/08/837103708.db2.gz HKGPOODPCWWXND-CQSZACIVSA-N 1 1 348.451 0.434 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001267272981 837115264 /nfs/dbraw/zinc/11/52/64/837115264.db2.gz BJPXVUAWXXKALR-LBPRGKRZSA-N 1 1 343.387 0.508 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001267272981 837115268 /nfs/dbraw/zinc/11/52/68/837115268.db2.gz BJPXVUAWXXKALR-LBPRGKRZSA-N 1 1 343.387 0.508 20 30 ECEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)NC(N)=O)CCC1 ZINC001267275120 837118309 /nfs/dbraw/zinc/11/83/09/837118309.db2.gz CUAZSCMBEZWMFW-OLZOCXBDSA-N 1 1 336.436 0.897 20 30 ECEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)NC(N)=O)CCC1 ZINC001267275120 837118315 /nfs/dbraw/zinc/11/83/15/837118315.db2.gz CUAZSCMBEZWMFW-OLZOCXBDSA-N 1 1 336.436 0.897 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001267278251 837122266 /nfs/dbraw/zinc/12/22/66/837122266.db2.gz HMQYDJATUSCAKM-CQSZACIVSA-N 1 1 343.387 0.279 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1=CC[N@H+](CCNS(C)(=O)=O)CC1 ZINC001279629418 837124662 /nfs/dbraw/zinc/12/46/62/837124662.db2.gz YACUWHZMKQKOGZ-MRXNPFEDSA-N 1 1 343.493 0.886 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1=CC[N@@H+](CCNS(C)(=O)=O)CC1 ZINC001279629418 837124666 /nfs/dbraw/zinc/12/46/66/837124666.db2.gz YACUWHZMKQKOGZ-MRXNPFEDSA-N 1 1 343.493 0.886 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001267279399 837125113 /nfs/dbraw/zinc/12/51/13/837125113.db2.gz DPTCKMFKKLZRHR-HNNXBMFYSA-N 1 1 333.436 0.960 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001267279399 837125121 /nfs/dbraw/zinc/12/51/21/837125121.db2.gz DPTCKMFKKLZRHR-HNNXBMFYSA-N 1 1 333.436 0.960 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001267283574 837133242 /nfs/dbraw/zinc/13/32/42/837133242.db2.gz NULSOGVDVDPMIG-WMZOPIPTSA-N 1 1 337.464 0.768 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001267283574 837133246 /nfs/dbraw/zinc/13/32/46/837133246.db2.gz NULSOGVDVDPMIG-WMZOPIPTSA-N 1 1 337.464 0.768 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC001267289200 837139920 /nfs/dbraw/zinc/13/99/20/837139920.db2.gz YNHJVEOVJWYHMU-KGLIPLIRSA-N 1 1 347.419 0.444 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC001267289200 837139927 /nfs/dbraw/zinc/13/99/27/837139927.db2.gz YNHJVEOVJWYHMU-KGLIPLIRSA-N 1 1 347.419 0.444 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001267290228 837141518 /nfs/dbraw/zinc/14/15/18/837141518.db2.gz XROKLEFLXWMXKS-AWEZNQCLSA-N 1 1 331.420 0.662 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001267293726 837147810 /nfs/dbraw/zinc/14/78/10/837147810.db2.gz XVIILROEQJODBG-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001267295427 837149097 /nfs/dbraw/zinc/14/90/97/837149097.db2.gz WGEBURGAJNITHI-RYUDHWBXSA-N 1 1 328.363 0.500 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001267295427 837149102 /nfs/dbraw/zinc/14/91/02/837149102.db2.gz WGEBURGAJNITHI-RYUDHWBXSA-N 1 1 328.363 0.500 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001267298234 837160090 /nfs/dbraw/zinc/16/00/90/837160090.db2.gz LOTZFFHIGMRZAJ-WMLDXEAASA-N 1 1 335.452 0.982 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001267298234 837160095 /nfs/dbraw/zinc/16/00/95/837160095.db2.gz LOTZFFHIGMRZAJ-WMLDXEAASA-N 1 1 335.452 0.982 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3cccnc32)C1 ZINC001267299911 837164295 /nfs/dbraw/zinc/16/42/95/837164295.db2.gz HJXKDBLPSVEHTR-ZFWWWQNUSA-N 1 1 341.415 0.189 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3cccnc32)C1 ZINC001267299911 837164299 /nfs/dbraw/zinc/16/42/99/837164299.db2.gz HJXKDBLPSVEHTR-ZFWWWQNUSA-N 1 1 341.415 0.189 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cccnc2OCC)C1 ZINC001267306561 837178377 /nfs/dbraw/zinc/17/83/77/837178377.db2.gz VSUJEFCIXWZCQL-CQSZACIVSA-N 1 1 344.415 0.281 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267306904 837179017 /nfs/dbraw/zinc/17/90/17/837179017.db2.gz YOEZKCUTFVCFSS-HNNXBMFYSA-N 1 1 338.411 0.288 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267306904 837179024 /nfs/dbraw/zinc/17/90/24/837179024.db2.gz YOEZKCUTFVCFSS-HNNXBMFYSA-N 1 1 338.411 0.288 20 30 ECEDMO CC(C)(C)c1ocnc1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267307388 837179039 /nfs/dbraw/zinc/17/90/39/837179039.db2.gz RJOYTGQTMNANTI-GFCCVEGCSA-N 1 1 347.419 0.664 20 30 ECEDMO CC(C)(C)c1ocnc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267307388 837179042 /nfs/dbraw/zinc/17/90/42/837179042.db2.gz RJOYTGQTMNANTI-GFCCVEGCSA-N 1 1 347.419 0.664 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Oc2ccccn2)C1 ZINC001267307469 837179129 /nfs/dbraw/zinc/17/91/29/837179129.db2.gz SUIRMYGWNNPPTA-LSDHHAIUSA-N 1 1 346.431 0.589 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2oc(CC)nc2C)C1 ZINC001267306999 837181233 /nfs/dbraw/zinc/18/12/33/837181233.db2.gz KPYDCBKNOKGAGK-ZIAGYGMSSA-N 1 1 346.431 0.735 20 30 ECEDMO CN(CC(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1)c1ccccc1 ZINC001267308824 837183149 /nfs/dbraw/zinc/18/31/49/837183149.db2.gz GZOZRTJVQIFDTD-OAHLLOKOSA-N 1 1 343.431 0.201 20 30 ECEDMO CN(CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)c1ccccc1 ZINC001267308824 837183156 /nfs/dbraw/zinc/18/31/56/837183156.db2.gz GZOZRTJVQIFDTD-OAHLLOKOSA-N 1 1 343.431 0.201 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cn(C)nc1C)C1CC1 ZINC001267322657 837198892 /nfs/dbraw/zinc/19/88/92/837198892.db2.gz KQSQWPREPIBSBI-CYBMUJFWSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cn(C)nc1C)C1CC1 ZINC001267322657 837198894 /nfs/dbraw/zinc/19/88/94/837198894.db2.gz KQSQWPREPIBSBI-CYBMUJFWSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)Cc1cnc(C)o1)C1CC1 ZINC001267325606 837203037 /nfs/dbraw/zinc/20/30/37/837203037.db2.gz GHKJHLBTMNLJOH-LBPRGKRZSA-N 1 1 332.404 0.244 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)Cc1cnc(C)o1)C1CC1 ZINC001267325606 837203048 /nfs/dbraw/zinc/20/30/48/837203048.db2.gz GHKJHLBTMNLJOH-LBPRGKRZSA-N 1 1 332.404 0.244 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1ccnn1C(C)C)C1CC1 ZINC001267326284 837203624 /nfs/dbraw/zinc/20/36/24/837203624.db2.gz PMAHJKQHCDORKB-AWEZNQCLSA-N 1 1 345.447 0.796 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1ccnn1C(C)C)C1CC1 ZINC001267326284 837203632 /nfs/dbraw/zinc/20/36/32/837203632.db2.gz PMAHJKQHCDORKB-AWEZNQCLSA-N 1 1 345.447 0.796 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)Cc1ccncc1C)C1CC1 ZINC001267325907 837205351 /nfs/dbraw/zinc/20/53/51/837205351.db2.gz OHQOFTZSYZGXRJ-UHFFFAOYSA-N 1 1 328.416 0.263 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)Cc1ccncc1C)C1CC1 ZINC001267325907 837205363 /nfs/dbraw/zinc/20/53/63/837205363.db2.gz OHQOFTZSYZGXRJ-UHFFFAOYSA-N 1 1 328.416 0.263 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cnn(C(F)F)c1)C1CC1 ZINC001267334610 837217051 /nfs/dbraw/zinc/21/70/51/837217051.db2.gz CLQVOUBFGPAUNZ-UHFFFAOYSA-N 1 1 339.346 0.222 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cnn(C(F)F)c1)C1CC1 ZINC001267334610 837217062 /nfs/dbraw/zinc/21/70/62/837217062.db2.gz CLQVOUBFGPAUNZ-UHFFFAOYSA-N 1 1 339.346 0.222 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cccc(OC)n1)C1CC1 ZINC001267336283 837220140 /nfs/dbraw/zinc/22/01/40/837220140.db2.gz LNBPDKUBQKUOJH-ZDUSSCGKSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cccc(OC)n1)C1CC1 ZINC001267336283 837220148 /nfs/dbraw/zinc/22/01/48/837220148.db2.gz LNBPDKUBQKUOJH-ZDUSSCGKSA-N 1 1 344.415 0.422 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)C1CC2(C1)CCOCC2)C1CC1 ZINC001267336222 837220837 /nfs/dbraw/zinc/22/08/37/837220837.db2.gz LKFQOBXHYZJTQJ-UHFFFAOYSA-N 1 1 348.447 0.414 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)C1CC2(C1)CCOCC2)C1CC1 ZINC001267336222 837220839 /nfs/dbraw/zinc/22/08/39/837220839.db2.gz LKFQOBXHYZJTQJ-UHFFFAOYSA-N 1 1 348.447 0.414 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC001267580495 837842336 /nfs/dbraw/zinc/84/23/36/837842336.db2.gz XPLRJAVPMCXVRF-CABCVRRESA-N 1 1 330.432 0.855 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001267580610 837842805 /nfs/dbraw/zinc/84/28/05/837842805.db2.gz ZPNHTHLJOYVGST-KGLIPLIRSA-N 1 1 343.431 0.971 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)COc2cccnc2)C1 ZINC001267581978 837847115 /nfs/dbraw/zinc/84/71/15/837847115.db2.gz ABZJKIWZCBDXTD-HNNXBMFYSA-N 1 1 344.415 0.038 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001267584526 837856560 /nfs/dbraw/zinc/85/65/60/837856560.db2.gz FOLJXTPYFIGRMZ-HNNXBMFYSA-N 1 1 348.447 0.983 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(OC)nc2)C1 ZINC001267586212 837862120 /nfs/dbraw/zinc/86/21/20/837862120.db2.gz MEDWNEGNVCSXPY-CQSZACIVSA-N 1 1 344.415 0.234 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)nn(C)c2C)C1 ZINC001267587931 837869454 /nfs/dbraw/zinc/86/94/54/837869454.db2.gz SJKTWSZHUXZTSU-HNNXBMFYSA-N 1 1 347.463 0.733 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NC)C2)c1 ZINC001267590970 837880198 /nfs/dbraw/zinc/88/01/98/837880198.db2.gz YMTBHKUDUQJTME-HIFRSBDPSA-N 1 1 328.416 0.591 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001267594227 837894610 /nfs/dbraw/zinc/89/46/10/837894610.db2.gz BKCMPLRTCPNSSZ-CQSZACIVSA-N 1 1 328.416 0.906 20 30 ECEDMO CCc1noc(C)c1C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267597283 837902373 /nfs/dbraw/zinc/90/23/73/837902373.db2.gz VBOAUUDLPAQTRC-ZDUSSCGKSA-N 1 1 347.419 0.579 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001267596977 837902637 /nfs/dbraw/zinc/90/26/37/837902637.db2.gz VNCYEBBSUKCUPO-HUUCEWRRSA-N 1 1 345.447 0.053 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 ZINC001267601088 837920288 /nfs/dbraw/zinc/92/02/88/837920288.db2.gz JIYGUSDMTFPCRD-UHFFFAOYSA-N 1 1 346.431 0.214 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001267602728 837927775 /nfs/dbraw/zinc/92/77/75/837927775.db2.gz FPOHSEJEPPVNOM-OAGGEKHMSA-N 1 1 348.447 0.364 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC(C[N@H+](C)CC(=O)NC(N)=O)CC2)C1 ZINC001267602967 837929196 /nfs/dbraw/zinc/92/91/96/837929196.db2.gz KFDXYJPAAYMWIB-UHFFFAOYSA-N 1 1 336.436 0.708 20 30 ECEDMO C#CCCCC(=O)N(C)CC[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC001267606084 837943952 /nfs/dbraw/zinc/94/39/52/837943952.db2.gz NEKCPAKSVIFVNE-UHFFFAOYSA-N 1 1 331.464 0.800 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2cc(OC)no2)C1 ZINC001267613159 837983990 /nfs/dbraw/zinc/98/39/90/837983990.db2.gz AAXYCPVHCQXLGW-CQSZACIVSA-N 1 1 335.404 0.846 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCc2cc(OC)no2)C1 ZINC001267613159 837984000 /nfs/dbraw/zinc/98/40/00/837984000.db2.gz AAXYCPVHCQXLGW-CQSZACIVSA-N 1 1 335.404 0.846 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001267613857 837986665 /nfs/dbraw/zinc/98/66/65/837986665.db2.gz XJKVMQZUYBTTRO-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001267613857 837986676 /nfs/dbraw/zinc/98/66/76/837986676.db2.gz XJKVMQZUYBTTRO-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2ccccc2=O)C1 ZINC001267622394 838062828 /nfs/dbraw/zinc/06/28/28/838062828.db2.gz YELAGNDTASVENC-LSDHHAIUSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2ccccc2=O)C1 ZINC001267622394 838062839 /nfs/dbraw/zinc/06/28/39/838062839.db2.gz YELAGNDTASVENC-LSDHHAIUSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2ccccc2=O)C1 ZINC001267622393 838063375 /nfs/dbraw/zinc/06/33/75/838063375.db2.gz YELAGNDTASVENC-HUUCEWRRSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2ccccc2=O)C1 ZINC001267622393 838063381 /nfs/dbraw/zinc/06/33/81/838063381.db2.gz YELAGNDTASVENC-HUUCEWRRSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2CC)C1 ZINC001267627740 838082139 /nfs/dbraw/zinc/08/21/39/838082139.db2.gz KWFCBFAMQAQGEL-JKSUJKDBSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001267638703 838115275 /nfs/dbraw/zinc/11/52/75/838115275.db2.gz QMXBLUAICXIJPA-KBPBESRZSA-N 1 1 333.436 0.505 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cc(C)on2)C1 ZINC001267638899 838116906 /nfs/dbraw/zinc/11/69/06/838116906.db2.gz UQQWKDFWHOFAQF-HUUCEWRRSA-N 1 1 348.447 0.997 20 30 ECEDMO COCCOCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001267638558 838117194 /nfs/dbraw/zinc/11/71/94/838117194.db2.gz NSLZDMSJZCTSEG-CQSZACIVSA-N 1 1 334.420 0.943 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC001267639059 838118394 /nfs/dbraw/zinc/11/83/94/838118394.db2.gz XPILOWJKUGCVBT-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001267665269 838189856 /nfs/dbraw/zinc/18/98/56/838189856.db2.gz FKPYWJPTADZVKH-CYBMUJFWSA-N 1 1 329.404 0.911 20 30 ECEDMO CC(C)N(C(=O)C[NH+]1CC(CNC(=O)CSCC#N)C1)C(C)C ZINC001267673505 838218021 /nfs/dbraw/zinc/21/80/21/838218021.db2.gz CJUCPDHNBALJAA-UHFFFAOYSA-N 1 1 340.493 0.937 20 30 ECEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267689632 838259390 /nfs/dbraw/zinc/25/93/90/838259390.db2.gz HCECWCFKBZYMRQ-CQSZACIVSA-N 1 1 331.482 0.624 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NCC)C2)cn1 ZINC001267701955 838302173 /nfs/dbraw/zinc/30/21/73/838302173.db2.gz BJHOSKKBTYFKNK-CQSZACIVSA-N 1 1 328.416 0.593 20 30 ECEDMO C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](O)COC)cc1 ZINC001267713899 838338266 /nfs/dbraw/zinc/33/82/66/838338266.db2.gz VSFYYWYITUQLBZ-YESZJQIVSA-N 1 1 344.411 0.605 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C[N@H+](C)CCS(C)(=O)=O)CC1 ZINC001267725038 838390100 /nfs/dbraw/zinc/39/01/00/838390100.db2.gz SFLPDXQTNHVBMQ-MRXNPFEDSA-N 1 1 346.493 0.529 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C[N@@H+](C)CCS(C)(=O)=O)CC1 ZINC001267725038 838390108 /nfs/dbraw/zinc/39/01/08/838390108.db2.gz SFLPDXQTNHVBMQ-MRXNPFEDSA-N 1 1 346.493 0.529 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001267729473 838414272 /nfs/dbraw/zinc/41/42/72/838414272.db2.gz XRXNXEWNFIFVTL-KGLIPLIRSA-N 1 1 346.431 0.896 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001267729473 838414273 /nfs/dbraw/zinc/41/42/73/838414273.db2.gz XRXNXEWNFIFVTL-KGLIPLIRSA-N 1 1 346.431 0.896 20 30 ECEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267730252 838416555 /nfs/dbraw/zinc/41/65/55/838416555.db2.gz LEUZZCLAXVDKIS-JSGCOSHPSA-N 1 1 336.436 0.910 20 30 ECEDMO C=CCCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267730252 838416557 /nfs/dbraw/zinc/41/65/57/838416557.db2.gz LEUZZCLAXVDKIS-JSGCOSHPSA-N 1 1 336.436 0.910 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001267750699 838470182 /nfs/dbraw/zinc/47/01/82/838470182.db2.gz MQQVGMWICSKQPM-CQSZACIVSA-N 1 1 344.419 0.817 20 30 ECEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001267758370 838483415 /nfs/dbraw/zinc/48/34/15/838483415.db2.gz LQNSTHKPUBYESD-UHFFFAOYSA-N 1 1 336.436 0.627 20 30 ECEDMO COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267761091 838489048 /nfs/dbraw/zinc/48/90/48/838489048.db2.gz AVYHKZFBTDEVAT-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267761091 838489050 /nfs/dbraw/zinc/48/90/50/838489050.db2.gz AVYHKZFBTDEVAT-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267767170 838502193 /nfs/dbraw/zinc/50/21/93/838502193.db2.gz HLUHBHLEVOWADE-HOTGVXAUSA-N 1 1 349.479 0.279 20 30 ECEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001267775441 838538279 /nfs/dbraw/zinc/53/82/79/838538279.db2.gz RNTXDNHSAJDAHW-AWEZNQCLSA-N 1 1 331.482 0.767 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccc(=O)[nH]n3)C2)nn1 ZINC001105147509 838680963 /nfs/dbraw/zinc/68/09/63/838680963.db2.gz XZXMDCJRZYDVBA-UHFFFAOYSA-N 1 1 329.364 0.137 20 30 ECEDMO C=CCNC(=O)C[NH2+]CCC1CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC001267903572 838755427 /nfs/dbraw/zinc/75/54/27/838755427.db2.gz JOYGZLUDIMOYCX-UHFFFAOYSA-N 1 1 333.436 0.852 20 30 ECEDMO CCCCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1 ZINC001105196960 838756140 /nfs/dbraw/zinc/75/61/40/838756140.db2.gz AGCIUSHNHBHJSD-ZDUSSCGKSA-N 1 1 334.424 0.727 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cc2cnc[nH]2)CC1 ZINC001267929969 838809087 /nfs/dbraw/zinc/80/90/87/838809087.db2.gz UOIPNELRHHKEAQ-IHRRRGAJSA-N 1 1 333.436 0.660 20 30 ECEDMO CC(C)C#CC(=O)NCCC1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001267943213 838829054 /nfs/dbraw/zinc/82/90/54/838829054.db2.gz FLOWILNJTPTXPU-UHFFFAOYSA-N 1 1 333.436 0.486 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267949417 838841826 /nfs/dbraw/zinc/84/18/26/838841826.db2.gz KMNPZIMVDFHHSZ-UONOGXRCSA-N 1 1 334.420 0.884 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC001267955453 838858278 /nfs/dbraw/zinc/85/82/78/838858278.db2.gz VVSKQQLGYRXWQH-UKRRQHHQSA-N 1 1 346.435 0.690 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC001267963697 838878301 /nfs/dbraw/zinc/87/83/01/838878301.db2.gz VFGGNPQCZYJVRB-SNVBAGLBSA-N 1 1 341.362 0.844 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)c1ccc(=O)[nH]n1)CC2 ZINC001268041595 839179282 /nfs/dbraw/zinc/17/92/82/839179282.db2.gz AVPBXCUIZYXMIC-UHFFFAOYSA-N 1 1 330.388 0.370 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)c1ccnnc1)CC2 ZINC001268045667 839209701 /nfs/dbraw/zinc/20/97/01/839209701.db2.gz FWDLCCHMTNDRHZ-AWEZNQCLSA-N 1 1 343.431 0.705 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)[C@H]1CCC(=O)N1)CC2 ZINC001268045860 839210314 /nfs/dbraw/zinc/21/03/14/839210314.db2.gz LAIRMTFTWVTDJN-JKSUJKDBSA-N 1 1 347.459 0.475 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)CCc1cnn(C)n1)CC2 ZINC001268046178 839211543 /nfs/dbraw/zinc/21/15/43/839211543.db2.gz SCUPNQSZZHFXHI-UHFFFAOYSA-N 1 1 345.447 0.322 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CCN(C(=O)CS(=O)(=O)CCC)CC2 ZINC001268047727 839219263 /nfs/dbraw/zinc/21/92/63/839219263.db2.gz JZYRQTZXMHIQFQ-UHFFFAOYSA-N 1 1 326.462 0.759 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)c1c[nH]c(C(N)=O)c1)CC2 ZINC001268049095 839221608 /nfs/dbraw/zinc/22/16/08/839221608.db2.gz XJGRQOJNIDYWGX-UHFFFAOYSA-N 1 1 344.415 0.301 20 30 ECEDMO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn(-c2ccncc2)n1 ZINC001268075310 839270409 /nfs/dbraw/zinc/27/04/09/839270409.db2.gz NAFPCXYLNMYQHS-OAHLLOKOSA-N 1 1 341.415 0.967 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000153020735 530055779 /nfs/dbraw/zinc/05/57/79/530055779.db2.gz OIGCYSIACBMCQE-MRXNPFEDSA-N 1 1 326.400 0.937 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NC3CCN(S(C)(=O)=O)CC3)[C@H]2C1 ZINC000329416051 283061706 /nfs/dbraw/zinc/06/17/06/283061706.db2.gz FNZFNVBNIKEVJA-OCCSQVGLSA-N 1 1 344.481 0.350 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCc1c(CC)c(CC)n[nH]c1=O ZINC000297347128 202052072 /nfs/dbraw/zinc/05/20/72/202052072.db2.gz OOJPHGWTDHHGSH-UHFFFAOYSA-N 1 1 333.436 0.649 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[NH+]1CCOCC1 ZINC000022688226 202089616 /nfs/dbraw/zinc/08/96/16/202089616.db2.gz LOFVGCMFHYOZII-UHFFFAOYSA-N 1 1 346.431 0.635 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000297620645 202135652 /nfs/dbraw/zinc/13/56/52/202135652.db2.gz XMPCMLSDUIAPDK-JKSUJKDBSA-N 1 1 333.436 0.895 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(OCC(N)=O)c1 ZINC000298040466 202200294 /nfs/dbraw/zinc/20/02/94/202200294.db2.gz TXMDFDXKAQZFQV-UHFFFAOYSA-N 1 1 332.404 0.305 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@H](C(N)=O)C(C)(C)C)CC1 ZINC000330699561 437592371 /nfs/dbraw/zinc/59/23/71/437592371.db2.gz HPFZPRCTLVYGES-GFCCVEGCSA-N 1 1 327.429 0.604 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000264603253 201212580 /nfs/dbraw/zinc/21/25/80/201212580.db2.gz CIPMSZNWVFKTTN-MRXNPFEDSA-N 1 1 345.447 0.970 20 30 ECEDMO COC(=O)[C@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411915505 284115109 /nfs/dbraw/zinc/11/51/09/284115109.db2.gz LRLDBZGUOWBFFS-HUUCEWRRSA-N 1 1 330.388 0.121 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H](C)C(C)(C)O)CC2)o1 ZINC000451375225 211381904 /nfs/dbraw/zinc/38/19/04/211381904.db2.gz VHSZBSYDCFNOFF-LBPRGKRZSA-N 1 1 349.435 0.595 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)C1 ZINC000372169491 269692962 /nfs/dbraw/zinc/69/29/62/269692962.db2.gz NQNOOCNXXKKQMI-OAHLLOKOSA-N 1 1 325.372 0.895 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)C1 ZINC000372169491 269692963 /nfs/dbraw/zinc/69/29/63/269692963.db2.gz NQNOOCNXXKKQMI-OAHLLOKOSA-N 1 1 325.372 0.895 20 30 ECEDMO COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000411925727 208170063 /nfs/dbraw/zinc/17/00/63/208170063.db2.gz ZOVNFKBGSDSPIH-UKRRQHHQSA-N 1 1 344.415 0.922 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+](C)C1 ZINC000413601603 208346123 /nfs/dbraw/zinc/34/61/23/208346123.db2.gz HVIKHCJTIQHACC-AWEZNQCLSA-N 1 1 348.378 0.944 20 30 ECEDMO C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000276060491 254543077 /nfs/dbraw/zinc/54/30/77/254543077.db2.gz UWFBMZDBWRCYQQ-GFCCVEGCSA-N 1 1 345.403 0.886 20 30 ECEDMO C[C@H]1OCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329227732 254601295 /nfs/dbraw/zinc/60/12/95/254601295.db2.gz IHPQBGABNCKKFY-KFWWJZLASA-N 1 1 339.436 0.834 20 30 ECEDMO C=CCn1cccc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000489957295 254870853 /nfs/dbraw/zinc/87/08/53/254870853.db2.gz PCYWKJJJSREWHY-UHFFFAOYSA-N 1 1 334.464 0.794 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c1 ZINC000497116781 255149395 /nfs/dbraw/zinc/14/93/95/255149395.db2.gz NVGHPDWFZRHLJG-INIZCTEOSA-N 1 1 342.399 0.949 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c1 ZINC000497116781 255149397 /nfs/dbraw/zinc/14/93/97/255149397.db2.gz NVGHPDWFZRHLJG-INIZCTEOSA-N 1 1 342.399 0.949 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C#N)c(C)n2)[C@H](C)C1 ZINC000180825111 533425140 /nfs/dbraw/zinc/42/51/40/533425140.db2.gz KGERIMVGZVYIFZ-GFCCVEGCSA-N 1 1 330.388 0.971 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C#N)c(C)n2)[C@H](C)C1 ZINC000180825111 533425144 /nfs/dbraw/zinc/42/51/44/533425144.db2.gz KGERIMVGZVYIFZ-GFCCVEGCSA-N 1 1 330.388 0.971 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000247409786 165160934 /nfs/dbraw/zinc/16/09/34/165160934.db2.gz RPZDIGDHMOPPAS-UONOGXRCSA-N 1 1 327.392 0.116 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(C)c(C(N)=O)cn3)C2)C1 ZINC001041700533 782019761 /nfs/dbraw/zinc/01/97/61/782019761.db2.gz IQFYDPKOOAECEX-SFHVURJKSA-N 1 1 326.400 0.660 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC001041704227 782022162 /nfs/dbraw/zinc/02/21/62/782022162.db2.gz ROUCRDXTLGWTMK-SFHVURJKSA-N 1 1 328.416 0.522 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1cccc(C#N)c1)C1=CC[N@@H+](C)CC1 ZINC000283528199 264126042 /nfs/dbraw/zinc/12/60/42/264126042.db2.gz CZEWTVRCMIDXAT-CYBMUJFWSA-N 1 1 326.400 0.941 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000284849431 264246446 /nfs/dbraw/zinc/24/64/46/264246446.db2.gz CDKKGIRLKPTEDE-LSDHHAIUSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000284849431 264246450 /nfs/dbraw/zinc/24/64/50/264246450.db2.gz CDKKGIRLKPTEDE-LSDHHAIUSA-N 1 1 335.429 0.960 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)n1C ZINC000275884275 270005459 /nfs/dbraw/zinc/00/54/59/270005459.db2.gz IATWTJRLYRJSJC-UHFFFAOYSA-N 1 1 344.350 0.752 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000376516796 270007793 /nfs/dbraw/zinc/00/77/93/270007793.db2.gz FNKGGLGEVCGYCI-UKRRQHHQSA-N 1 1 343.435 0.808 20 30 ECEDMO CC(C)[NH+]1CC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000298919514 265842925 /nfs/dbraw/zinc/84/29/25/265842925.db2.gz MGEYFUHWKZQVEI-UHFFFAOYSA-N 1 1 336.417 0.045 20 30 ECEDMO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@@H](C)O ZINC000352221458 266103567 /nfs/dbraw/zinc/10/35/67/266103567.db2.gz MEFAJIWRUZRZEL-GFCCVEGCSA-N 1 1 335.408 0.206 20 30 ECEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)n2cnc(C#N)n2)[C@H](C)C1 ZINC000337014133 266274255 /nfs/dbraw/zinc/27/42/55/266274255.db2.gz JPECORNKLSIHIA-ILXRZTDVSA-N 1 1 348.451 0.964 20 30 ECEDMO C[C@@](O)(CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)C[NH+]1CCOCC1 ZINC000342374111 267115080 /nfs/dbraw/zinc/11/50/80/267115080.db2.gz KDPPDUCKSPEHFN-OAHLLOKOSA-N 1 1 335.364 0.544 20 30 ECEDMO C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000364990651 267164179 /nfs/dbraw/zinc/16/41/79/267164179.db2.gz HLXZENSAXSRBPW-GFCCVEGCSA-N 1 1 341.408 0.775 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000364990651 267164182 /nfs/dbraw/zinc/16/41/82/267164182.db2.gz HLXZENSAXSRBPW-GFCCVEGCSA-N 1 1 341.408 0.775 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001077969182 782039411 /nfs/dbraw/zinc/03/94/11/782039411.db2.gz BLEYOYJKVSDYFM-JONQDZQNSA-N 1 1 337.464 0.766 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000516649206 267335240 /nfs/dbraw/zinc/33/52/40/267335240.db2.gz KRCQKLKXURFENS-CQSZACIVSA-N 1 1 342.403 0.724 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000340917562 267381354 /nfs/dbraw/zinc/38/13/54/267381354.db2.gz USTGYAZTLHRSOG-HNNXBMFYSA-N 1 1 342.399 0.785 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000340917562 267381360 /nfs/dbraw/zinc/38/13/60/267381360.db2.gz USTGYAZTLHRSOG-HNNXBMFYSA-N 1 1 342.399 0.785 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1F ZINC000362932819 268006080 /nfs/dbraw/zinc/00/60/80/268006080.db2.gz RAYJKGUPFMRBHM-ZIAGYGMSSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(CC(=O)NCCCCN2CC[NH+](CCO)CC2)cc1 ZINC000340236483 268057274 /nfs/dbraw/zinc/05/72/74/268057274.db2.gz QHFNXXCPHMPNJU-UHFFFAOYSA-N 1 1 344.459 0.607 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)cc1 ZINC000298800297 268066764 /nfs/dbraw/zinc/06/67/64/268066764.db2.gz NTECRFYIVXHHNE-UHFFFAOYSA-N 1 1 341.415 0.664 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000340955464 268134717 /nfs/dbraw/zinc/13/47/17/268134717.db2.gz MAPYCEYHFDZLAC-OAHLLOKOSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000340955464 268134719 /nfs/dbraw/zinc/13/47/19/268134719.db2.gz MAPYCEYHFDZLAC-OAHLLOKOSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)c1 ZINC000362405012 268250283 /nfs/dbraw/zinc/25/02/83/268250283.db2.gz DSKGDDDOWLETOE-SFHVURJKSA-N 1 1 326.400 0.777 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000365320060 268263414 /nfs/dbraw/zinc/26/34/14/268263414.db2.gz MXSMYMJKLDOKIU-LSDHHAIUSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366791535 268277616 /nfs/dbraw/zinc/27/76/16/268277616.db2.gz RMJDIZTVLBLWPC-GJZGRUSLSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000528474254 268302248 /nfs/dbraw/zinc/30/22/48/268302248.db2.gz OWEKDMWDDRWGRA-KLZNWCGWSA-N 1 1 329.400 0.884 20 30 ECEDMO N#Cc1cnn2cc(CNCCC[N@H+]3CCC[C@@H]3C(N)=O)cnc12 ZINC000515343151 268318562 /nfs/dbraw/zinc/31/85/62/268318562.db2.gz AXVBMQWTTBXXLI-CQSZACIVSA-N 1 1 327.392 0.030 20 30 ECEDMO N#Cc1cnn2cc(CNCCC[N@@H+]3CCC[C@@H]3C(N)=O)cnc12 ZINC000515343151 268318564 /nfs/dbraw/zinc/31/85/64/268318564.db2.gz AXVBMQWTTBXXLI-CQSZACIVSA-N 1 1 327.392 0.030 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC001077972628 782046837 /nfs/dbraw/zinc/04/68/37/782046837.db2.gz KIWOITACKLEBNR-ZIAGYGMSSA-N 1 1 328.372 0.478 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC001077972628 782046845 /nfs/dbraw/zinc/04/68/45/782046845.db2.gz KIWOITACKLEBNR-ZIAGYGMSSA-N 1 1 328.372 0.478 20 30 ECEDMO C#CCN(C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C1CCCC1 ZINC000491219803 276778610 /nfs/dbraw/zinc/77/86/10/276778610.db2.gz HKIVFTOPQSUUGX-UHFFFAOYSA-N 1 1 331.420 0.507 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000329238136 288125596 /nfs/dbraw/zinc/12/55/96/288125596.db2.gz PLJCKHOJBZCMBG-MBNYWOFBSA-N 1 1 344.481 0.349 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328772625 289232204 /nfs/dbraw/zinc/23/22/04/289232204.db2.gz JTCYKOBHIRUASO-FMKPAKJESA-N 1 1 343.493 0.936 20 30 ECEDMO C[C@H](CNC(=O)N1CCO[C@]2(CCOC2)C1)C[NH+]1CCOCC1 ZINC000329902748 289394678 /nfs/dbraw/zinc/39/46/78/289394678.db2.gz PPZVCOBRFWQIDE-GDBMZVCRSA-N 1 1 327.425 0.360 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)N2CCCS(=O)(=O)CC2)CCSC1 ZINC000329023681 289398375 /nfs/dbraw/zinc/39/83/75/289398375.db2.gz UOSRWZRDSULKGA-ZDUSSCGKSA-N 1 1 335.495 0.458 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000329995451 290035645 /nfs/dbraw/zinc/03/56/45/290035645.db2.gz NFAGULLXYVFHET-RHSMWYFYSA-N 1 1 340.468 0.416 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000330806246 437619923 /nfs/dbraw/zinc/61/99/23/437619923.db2.gz CGSVGRDYGRYYNP-CQSZACIVSA-N 1 1 340.468 0.811 20 30 ECEDMO C#CCN(C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000291729865 437623167 /nfs/dbraw/zinc/62/31/67/437623167.db2.gz AJTGGNQTVOIQNP-UHFFFAOYSA-N 1 1 328.416 0.849 20 30 ECEDMO C[C@H](CNC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1)CN1CC[NH+](C)CC1 ZINC000330972067 298244384 /nfs/dbraw/zinc/24/43/84/298244384.db2.gz MXUISPDHIHDUOO-MCIONIFRSA-N 1 1 341.456 0.408 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000072830956 436057917 /nfs/dbraw/zinc/05/79/17/436057917.db2.gz INACBFQDEKYJTN-SFHVURJKSA-N 1 1 341.459 0.643 20 30 ECEDMO Cc1nc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1C#N ZINC000076459555 436208130 /nfs/dbraw/zinc/20/81/30/436208130.db2.gz MSCOTCWPERVBPF-AWEZNQCLSA-N 1 1 329.404 0.579 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)C1 ZINC000081456672 436346523 /nfs/dbraw/zinc/34/65/23/436346523.db2.gz RIUCDOXAHZTLJC-MRXNPFEDSA-N 1 1 342.399 0.060 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)C1 ZINC000081456672 436346527 /nfs/dbraw/zinc/34/65/27/436346527.db2.gz RIUCDOXAHZTLJC-MRXNPFEDSA-N 1 1 342.399 0.060 20 30 ECEDMO CN(CC(=O)Nc1sccc1C#N)C[C@H](O)C[NH+]1CCOCC1 ZINC000083245009 436369803 /nfs/dbraw/zinc/36/98/03/436369803.db2.gz PWJBPDJAQIYPML-ZDUSSCGKSA-N 1 1 338.433 0.183 20 30 ECEDMO COC[C@](C)(O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000086532854 436394623 /nfs/dbraw/zinc/39/46/23/436394623.db2.gz AJFYNQLRCQWEJT-SFHVURJKSA-N 1 1 331.416 0.990 20 30 ECEDMO COC[C@](C)(O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000086532854 436394624 /nfs/dbraw/zinc/39/46/24/436394624.db2.gz AJFYNQLRCQWEJT-SFHVURJKSA-N 1 1 331.416 0.990 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000047717335 436429507 /nfs/dbraw/zinc/42/95/07/436429507.db2.gz UWRZMWMYJZXPPM-AWEZNQCLSA-N 1 1 335.429 0.901 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000047952022 436434592 /nfs/dbraw/zinc/43/45/92/436434592.db2.gz WKLOSXOHSYYLBJ-ZDUSSCGKSA-N 1 1 346.435 0.375 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](CCO)C2)CC1 ZINC000091556431 436452294 /nfs/dbraw/zinc/45/22/94/436452294.db2.gz PMODDFFQORILES-SJORKVTESA-N 1 1 336.480 0.773 20 30 ECEDMO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)O1 ZINC000091553203 436452428 /nfs/dbraw/zinc/45/24/28/436452428.db2.gz YZEUGLBKKFQRRI-ILXRZTDVSA-N 1 1 330.388 0.310 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(C)CC2)c1 ZINC000049277644 436467865 /nfs/dbraw/zinc/46/78/65/436467865.db2.gz GITHRZCZWKWRPN-UHFFFAOYSA-N 1 1 328.416 0.360 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943479 436422432 /nfs/dbraw/zinc/42/24/32/436422432.db2.gz KNZCLTBDGPXWSW-JTQLQIEISA-N 1 1 333.396 0.128 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000052216003 436504898 /nfs/dbraw/zinc/50/48/98/436504898.db2.gz CHOMASWLSCZRCN-GUYCJALGSA-N 1 1 335.452 0.919 20 30 ECEDMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCCC#N)CC2)C[C@H](C)O1 ZINC000102397066 436552119 /nfs/dbraw/zinc/55/21/19/436552119.db2.gz QYADTKAHRIZCDE-GASCZTMLSA-N 1 1 344.481 0.652 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000109819784 436627723 /nfs/dbraw/zinc/62/77/23/436627723.db2.gz KERKSRDIMYAQHM-KRWDZBQOSA-N 1 1 347.463 0.829 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000109819784 436627726 /nfs/dbraw/zinc/62/77/26/436627726.db2.gz KERKSRDIMYAQHM-KRWDZBQOSA-N 1 1 347.463 0.829 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000106333672 436592005 /nfs/dbraw/zinc/59/20/05/436592005.db2.gz ARVRMOZXZQRGNG-QGZVFWFLSA-N 1 1 344.415 0.953 20 30 ECEDMO C#CCN(CC)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000056606637 436594245 /nfs/dbraw/zinc/59/42/45/436594245.db2.gz JEUQARZZOOBUAD-UHFFFAOYSA-N 1 1 330.436 0.653 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CCCC#N)C2)CC1 ZINC000111339264 436630793 /nfs/dbraw/zinc/63/07/93/436630793.db2.gz JRLYAIXRKLNVIU-CQSZACIVSA-N 1 1 342.465 0.106 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231170 436630979 /nfs/dbraw/zinc/63/09/79/436630979.db2.gz FPYSFXHRBGKFIY-SJORKVTESA-N 1 1 335.496 0.849 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)nc1 ZINC000112557984 436633338 /nfs/dbraw/zinc/63/33/38/436633338.db2.gz OARFCARAMDFDAC-QGZVFWFLSA-N 1 1 341.459 0.661 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000064442111 436649204 /nfs/dbraw/zinc/64/92/04/436649204.db2.gz ISNGBOWVCRPLGJ-UHFFFAOYSA-N 1 1 325.368 0.694 20 30 ECEDMO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000550878883 302351056 /nfs/dbraw/zinc/35/10/56/302351056.db2.gz ZDKUMIFXKXPOAA-UHFFFAOYSA-N 1 1 336.421 0.408 20 30 ECEDMO CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000066666097 436693662 /nfs/dbraw/zinc/69/36/62/436693662.db2.gz DSRNDJBLNYCPNC-DOTOQJQBSA-N 1 1 331.416 0.949 20 30 ECEDMO CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000066666097 436693666 /nfs/dbraw/zinc/69/36/66/436693666.db2.gz DSRNDJBLNYCPNC-DOTOQJQBSA-N 1 1 331.416 0.949 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000272020856 436700921 /nfs/dbraw/zinc/70/09/21/436700921.db2.gz MYPFPTMJJBQWKR-UHFFFAOYSA-N 1 1 326.400 0.613 20 30 ECEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000120903504 436702213 /nfs/dbraw/zinc/70/22/13/436702213.db2.gz JAEDGWURKJXEHD-ZDUSSCGKSA-N 1 1 338.433 0.572 20 30 ECEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000120903504 436702215 /nfs/dbraw/zinc/70/22/15/436702215.db2.gz JAEDGWURKJXEHD-ZDUSSCGKSA-N 1 1 338.433 0.572 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000139076763 436662617 /nfs/dbraw/zinc/66/26/17/436662617.db2.gz AWGQHYKGRZENMR-ZNMIVQPWSA-N 1 1 338.452 0.572 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000139076763 436662618 /nfs/dbraw/zinc/66/26/18/436662618.db2.gz AWGQHYKGRZENMR-ZNMIVQPWSA-N 1 1 338.452 0.572 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000139076763 436662621 /nfs/dbraw/zinc/66/26/21/436662621.db2.gz AWGQHYKGRZENMR-ZNMIVQPWSA-N 1 1 338.452 0.572 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000139076763 436662625 /nfs/dbraw/zinc/66/26/25/436662625.db2.gz AWGQHYKGRZENMR-ZNMIVQPWSA-N 1 1 338.452 0.572 20 30 ECEDMO CNC(=O)CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000269802944 436668228 /nfs/dbraw/zinc/66/82/28/436668228.db2.gz DSNGAUJYGIOWNV-UHFFFAOYSA-N 1 1 327.388 0.782 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194927188 436676224 /nfs/dbraw/zinc/67/62/24/436676224.db2.gz MRZTUCJRPMVDIL-BETUJISGSA-N 1 1 345.374 0.796 20 30 ECEDMO N#Cc1c(F)cccc1N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000066421208 436684374 /nfs/dbraw/zinc/68/43/74/436684374.db2.gz ZQSFBLQVQAJBLJ-UHFFFAOYSA-N 1 1 345.378 0.761 20 30 ECEDMO C[NH+]1CCN(C(=O)CN2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000120383527 436685997 /nfs/dbraw/zinc/68/59/97/436685997.db2.gz JLUMBWKIEIFFDY-UHFFFAOYSA-N 1 1 345.422 0.593 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000123944386 436744668 /nfs/dbraw/zinc/74/46/68/436744668.db2.gz NRLTYBAKDMHELS-STQMWFEESA-N 1 1 337.445 0.973 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(OCC(N)=O)c(OC)c2)CC1 ZINC000068445584 436745783 /nfs/dbraw/zinc/74/57/83/436745783.db2.gz UMSPBSHLYPHLGG-UHFFFAOYSA-N 1 1 345.399 0.340 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000245870608 436767805 /nfs/dbraw/zinc/76/78/05/436767805.db2.gz LBEZIXHINPIRAN-HUUCEWRRSA-N 1 1 338.452 0.564 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000245870608 436767808 /nfs/dbraw/zinc/76/78/08/436767808.db2.gz LBEZIXHINPIRAN-HUUCEWRRSA-N 1 1 338.452 0.564 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000272479559 436717030 /nfs/dbraw/zinc/71/70/30/436717030.db2.gz FKFQVSOWMFELBH-CYBMUJFWSA-N 1 1 348.403 0.610 20 30 ECEDMO C[C@@H]1COCC[N@H+]1CCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000249433570 436819877 /nfs/dbraw/zinc/81/98/77/436819877.db2.gz FAGVINDCTPFISA-LSDHHAIUSA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@@H]1COCC[N@@H+]1CCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000249433570 436819879 /nfs/dbraw/zinc/81/98/79/436819879.db2.gz FAGVINDCTPFISA-LSDHHAIUSA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@@H]1COCCN1CC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000249433570 436819881 /nfs/dbraw/zinc/81/98/81/436819881.db2.gz FAGVINDCTPFISA-LSDHHAIUSA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@@H]1COCCN1CC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000249433570 436819883 /nfs/dbraw/zinc/81/98/83/436819883.db2.gz FAGVINDCTPFISA-LSDHHAIUSA-N 1 1 330.436 0.579 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCC#N)CCC#N)CC1=O ZINC000246402790 436780268 /nfs/dbraw/zinc/78/02/68/436780268.db2.gz JZLJLALZOAPZLE-JKSUJKDBSA-N 1 1 345.447 0.975 20 30 ECEDMO C[N@@H+](CC(=O)N(CCC#N)CCN1CCOCC1)[C@H]1CCSC1 ZINC000155236072 436791901 /nfs/dbraw/zinc/79/19/01/436791901.db2.gz GTJCJLILEJOSSE-HNNXBMFYSA-N 1 1 340.493 0.498 20 30 ECEDMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000155774096 436804242 /nfs/dbraw/zinc/80/42/42/436804242.db2.gz YRTWCKZKOCQNTC-ZDUSSCGKSA-N 1 1 336.417 0.510 20 30 ECEDMO C#CC[N@@H+](C)CCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000292934492 436838431 /nfs/dbraw/zinc/83/84/31/436838431.db2.gz ZTDMBISLKWZXST-UHFFFAOYSA-N 1 1 326.378 0.609 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000159108396 436853378 /nfs/dbraw/zinc/85/33/78/436853378.db2.gz QYSCQNLPDXYMMB-UHFFFAOYSA-N 1 1 342.399 0.977 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000159108396 436853382 /nfs/dbraw/zinc/85/33/82/436853382.db2.gz QYSCQNLPDXYMMB-UHFFFAOYSA-N 1 1 342.399 0.977 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000159066283 436853883 /nfs/dbraw/zinc/85/38/83/436853883.db2.gz BNIIALZZRXIKLG-GFCCVEGCSA-N 1 1 332.408 0.804 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000159066283 436853886 /nfs/dbraw/zinc/85/38/86/436853886.db2.gz BNIIALZZRXIKLG-GFCCVEGCSA-N 1 1 332.408 0.804 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCC[N@H+](C)CC#C ZINC000293323120 436866711 /nfs/dbraw/zinc/86/67/11/436866711.db2.gz IXKXLKUXZLMDGO-UHFFFAOYSA-N 1 1 345.374 0.848 20 30 ECEDMO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000157497751 436829362 /nfs/dbraw/zinc/82/93/62/436829362.db2.gz OVMKXOXNRDDCRV-DOMZBBRYSA-N 1 1 330.388 0.123 20 30 ECEDMO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157497751 436829366 /nfs/dbraw/zinc/82/93/66/436829366.db2.gz OVMKXOXNRDDCRV-DOMZBBRYSA-N 1 1 330.388 0.123 20 30 ECEDMO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000157498051 436830561 /nfs/dbraw/zinc/83/05/61/436830561.db2.gz OVMKXOXNRDDCRV-IUODEOHRSA-N 1 1 330.388 0.123 20 30 ECEDMO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000157498051 436830566 /nfs/dbraw/zinc/83/05/66/436830566.db2.gz OVMKXOXNRDDCRV-IUODEOHRSA-N 1 1 330.388 0.123 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292923442 436837189 /nfs/dbraw/zinc/83/71/89/436837189.db2.gz IKELAANJSJWGTH-GDBMZVCRSA-N 1 1 333.436 0.996 20 30 ECEDMO C[C@H](CS(C)(=O)=O)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163099034 436918236 /nfs/dbraw/zinc/91/82/36/436918236.db2.gz HSLVSDQWHCRKKU-LLVKDONJSA-N 1 1 330.431 0.355 20 30 ECEDMO CN1CCN(c2cc(CNC(=[NH2+])NC[C@@H]3CCCO3)ccn2)CC1 ZINC000161510762 436892607 /nfs/dbraw/zinc/89/26/07/436892607.db2.gz HUJGZOJUTCZFAY-HNNXBMFYSA-N 1 1 332.452 0.417 20 30 ECEDMO C#CCNC(=O)CC[N@H+](C)CCN1CCN(Cc2ccccc2)CC1 ZINC000293667079 436898314 /nfs/dbraw/zinc/89/83/14/436898314.db2.gz UOAARUCYDUHVQZ-UHFFFAOYSA-N 1 1 342.487 0.876 20 30 ECEDMO C#CCNC(=O)CC[N@@H+](C)CCN1CCN(Cc2ccccc2)CC1 ZINC000293667079 436898320 /nfs/dbraw/zinc/89/83/20/436898320.db2.gz UOAARUCYDUHVQZ-UHFFFAOYSA-N 1 1 342.487 0.876 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280527792 436902039 /nfs/dbraw/zinc/90/20/39/436902039.db2.gz ORJLEQMBVNJXKN-WBMJQRKESA-N 1 1 325.409 0.657 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280527792 436902041 /nfs/dbraw/zinc/90/20/41/436902041.db2.gz ORJLEQMBVNJXKN-WBMJQRKESA-N 1 1 325.409 0.657 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000293728903 436903896 /nfs/dbraw/zinc/90/38/96/436903896.db2.gz GMGVVMMGPWGIBG-UHFFFAOYSA-N 1 1 342.392 0.846 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000293746925 436905188 /nfs/dbraw/zinc/90/51/88/436905188.db2.gz IGHKJRVGOKBACE-UHFFFAOYSA-N 1 1 344.371 0.492 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000294047356 436929730 /nfs/dbraw/zinc/92/97/30/436929730.db2.gz JBJXUWKSKYFEOS-UHFFFAOYSA-N 1 1 349.456 0.435 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000294047356 436929732 /nfs/dbraw/zinc/92/97/32/436929732.db2.gz JBJXUWKSKYFEOS-UHFFFAOYSA-N 1 1 349.456 0.435 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c(F)c1 ZINC000263767442 436986521 /nfs/dbraw/zinc/98/65/21/436986521.db2.gz LIRXHDBXPSZIHQ-GFCCVEGCSA-N 1 1 326.397 0.702 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c(F)c1 ZINC000263767442 436986526 /nfs/dbraw/zinc/98/65/26/436986526.db2.gz LIRXHDBXPSZIHQ-GFCCVEGCSA-N 1 1 326.397 0.702 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000296375054 436990356 /nfs/dbraw/zinc/99/03/56/436990356.db2.gz RQOUZOXKTPDMPM-UHFFFAOYSA-N 1 1 344.462 0.150 20 30 ECEDMO C#CCOc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000296712594 436998714 /nfs/dbraw/zinc/99/87/14/436998714.db2.gz SWVGNKVHFFPWEK-MRXNPFEDSA-N 1 1 330.432 0.744 20 30 ECEDMO CC(=O)NC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000172182480 437001462 /nfs/dbraw/zinc/00/14/62/437001462.db2.gz PXNILOFVIAWUCG-MRXNPFEDSA-N 1 1 330.388 0.724 20 30 ECEDMO CC(=O)NC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000172182480 437001465 /nfs/dbraw/zinc/00/14/65/437001465.db2.gz PXNILOFVIAWUCG-MRXNPFEDSA-N 1 1 330.388 0.724 20 30 ECEDMO CCN(CCC#N)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275741626 437007692 /nfs/dbraw/zinc/00/76/92/437007692.db2.gz RGVOWYAGVCLYTF-UHFFFAOYSA-N 1 1 345.403 0.887 20 30 ECEDMO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCOC)CC1 ZINC000282225015 437010870 /nfs/dbraw/zinc/01/08/70/437010870.db2.gz IXHUPRLEKVNHMO-UHFFFAOYSA-N 1 1 336.440 0.371 20 30 ECEDMO COCCC[N@@H+](C)CCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000173429920 437049730 /nfs/dbraw/zinc/04/97/30/437049730.db2.gz GZIWQRWKMHPJHN-UHFFFAOYSA-N 1 1 325.434 0.946 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000284183702 437049827 /nfs/dbraw/zinc/04/98/27/437049827.db2.gz ZPWVRYFJZFTIRQ-UHFFFAOYSA-N 1 1 332.404 0.259 20 30 ECEDMO C=CCOc1ccccc1CNC(=O)C(=O)NCC[N@H+](C)CCOC ZINC000285769778 437083162 /nfs/dbraw/zinc/08/31/62/437083162.db2.gz CBIPQYVGXVODGO-UHFFFAOYSA-N 1 1 349.431 0.562 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000286426863 437090509 /nfs/dbraw/zinc/09/05/09/437090509.db2.gz GVPATTBRDMFRIN-UHFFFAOYSA-N 1 1 343.493 0.327 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000286451846 437091044 /nfs/dbraw/zinc/09/10/44/437091044.db2.gz OAIRCGMRTKKPLX-AWEZNQCLSA-N 1 1 338.452 0.080 20 30 ECEDMO CN(C)S(=O)(=O)CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000285911919 437086666 /nfs/dbraw/zinc/08/66/66/437086666.db2.gz HMYOENSNKZHPJV-UHFFFAOYSA-N 1 1 336.461 0.962 20 30 ECEDMO CN(C)S(=O)(=O)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000285911919 437086670 /nfs/dbraw/zinc/08/66/70/437086670.db2.gz HMYOENSNKZHPJV-UHFFFAOYSA-N 1 1 336.461 0.962 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000286565042 437101965 /nfs/dbraw/zinc/10/19/65/437101965.db2.gz SPMALVSNIGNLHD-ZDUSSCGKSA-N 1 1 329.466 0.106 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)c1 ZINC000276492020 437116132 /nfs/dbraw/zinc/11/61/32/437116132.db2.gz VRDRJTYKQDFZIO-GOSISDBHSA-N 1 1 344.415 0.472 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)c1 ZINC000276492020 437116140 /nfs/dbraw/zinc/11/61/40/437116140.db2.gz VRDRJTYKQDFZIO-GOSISDBHSA-N 1 1 344.415 0.472 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2c(C)c(C)nc3ncnn32)CC1 ZINC000301521307 437125318 /nfs/dbraw/zinc/12/53/18/437125318.db2.gz FRXQCATVBSZALU-UHFFFAOYSA-N 1 1 341.419 0.003 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2c(C)c(C)nc3ncnn32)CC1 ZINC000301521307 437125322 /nfs/dbraw/zinc/12/53/22/437125322.db2.gz FRXQCATVBSZALU-UHFFFAOYSA-N 1 1 341.419 0.003 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000265769033 437187708 /nfs/dbraw/zinc/18/77/08/437187708.db2.gz IMXBWAQAWKOCJV-ZDUSSCGKSA-N 1 1 334.351 0.473 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000328840515 437270267 /nfs/dbraw/zinc/27/02/67/437270267.db2.gz UMYMAYYHRGBIHQ-KGLIPLIRSA-N 1 1 325.457 0.089 20 30 ECEDMO CN(C)c1nc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cc[nH+]1 ZINC000332418359 437220336 /nfs/dbraw/zinc/22/03/36/437220336.db2.gz DEKOPGOQJCKQSA-UHFFFAOYSA-N 1 1 325.376 0.705 20 30 ECEDMO COC(=O)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CCCO1 ZINC000325380238 437228414 /nfs/dbraw/zinc/22/84/14/437228414.db2.gz NEIIRPVQMLERKE-YOEHRIQHSA-N 1 1 337.420 0.839 20 30 ECEDMO COC(=O)CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CCCO1 ZINC000325380238 437228420 /nfs/dbraw/zinc/22/84/20/437228420.db2.gz NEIIRPVQMLERKE-YOEHRIQHSA-N 1 1 337.420 0.839 20 30 ECEDMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000328614674 437240149 /nfs/dbraw/zinc/24/01/49/437240149.db2.gz RFJUPKGMBQERNV-BVUBDWEXSA-N 1 1 336.436 0.952 20 30 ECEDMO CC(C)C[C@H](CNC(=O)N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000328728004 437258182 /nfs/dbraw/zinc/25/81/82/437258182.db2.gz VKCNGQZONPVKFU-LSDHHAIUSA-N 1 1 340.468 0.810 20 30 ECEDMO O=C(C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)NC[C@H]1CCCO1 ZINC000329136225 437322627 /nfs/dbraw/zinc/32/26/27/437322627.db2.gz QXMOLDUPNPMVSC-PBHICJAKSA-N 1 1 339.436 0.571 20 30 ECEDMO O=C(C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)NC[C@H]1CCCO1 ZINC000329136225 437322631 /nfs/dbraw/zinc/32/26/31/437322631.db2.gz QXMOLDUPNPMVSC-PBHICJAKSA-N 1 1 339.436 0.571 20 30 ECEDMO Cn1ccc(CNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000329050340 437310219 /nfs/dbraw/zinc/31/02/19/437310219.db2.gz RCEOKKVSMLPPLR-UHFFFAOYSA-N 1 1 348.451 0.320 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1C ZINC000329067952 437311446 /nfs/dbraw/zinc/31/14/46/437311446.db2.gz XIDSHGBJOVIDGH-KCQAQPDRSA-N 1 1 348.451 0.854 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)N1CC[NH+](C)CC1 ZINC000336973492 437320648 /nfs/dbraw/zinc/32/06/48/437320648.db2.gz MQWSUMPKUAZDNM-UONOGXRCSA-N 1 1 333.440 0.099 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)C[N@H+]1C1CC1 ZINC000328837521 437270635 /nfs/dbraw/zinc/27/06/35/437270635.db2.gz SYPIENNNTBZNFU-NTZNESFSSA-N 1 1 330.454 0.279 20 30 ECEDMO CCOC(=O)CON=C(C(=O)N1CC[NH+](C2CC2)CC1)c1ccn[nH]1 ZINC000278001501 437270878 /nfs/dbraw/zinc/27/08/78/437270878.db2.gz KLPCTUHLDPRPOE-XDJHFCHBSA-N 1 1 349.391 0.000 20 30 ECEDMO COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000278007450 437271752 /nfs/dbraw/zinc/27/17/52/437271752.db2.gz BGILAXZUKGPCGO-GDBMZVCRSA-N 1 1 334.420 0.488 20 30 ECEDMO C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000179756632 437273406 /nfs/dbraw/zinc/27/34/06/437273406.db2.gz XVKZWNXWSYKYMQ-UHFFFAOYSA-N 1 1 344.415 0.769 20 30 ECEDMO C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000179756632 437273407 /nfs/dbraw/zinc/27/34/07/437273407.db2.gz XVKZWNXWSYKYMQ-UHFFFAOYSA-N 1 1 344.415 0.769 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000288768673 437354587 /nfs/dbraw/zinc/35/45/87/437354587.db2.gz KMSJNPCPXJKBMY-UHFFFAOYSA-N 1 1 349.410 0.636 20 30 ECEDMO CN(CCCNC(=O)C(=O)Nc1ccc(F)cc1C#N)CC[NH+](C)C ZINC000288768673 437354592 /nfs/dbraw/zinc/35/45/92/437354592.db2.gz KMSJNPCPXJKBMY-UHFFFAOYSA-N 1 1 349.410 0.636 20 30 ECEDMO C[C@H](CN1CCN(C)CC1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000329354747 437357215 /nfs/dbraw/zinc/35/72/15/437357215.db2.gz VNOMXGPQHCGUHC-OAHLLOKOSA-N 1 1 325.501 0.858 20 30 ECEDMO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329375065 437359965 /nfs/dbraw/zinc/35/99/65/437359965.db2.gz KPKPGHSFMSMZSN-VHDGCEQUSA-N 1 1 336.440 0.794 20 30 ECEDMO CC(C)C(=O)N1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000329425838 437367698 /nfs/dbraw/zinc/36/76/98/437367698.db2.gz IPTPMIWCRHMXSX-UHFFFAOYSA-N 1 1 328.482 0.749 20 30 ECEDMO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(=O)N1CCCC[C@H]1C ZINC000329427047 437368021 /nfs/dbraw/zinc/36/80/21/437368021.db2.gz GQZFADNJFIYLTK-QLFBSQMISA-N 1 1 339.484 0.525 20 30 ECEDMO C[C@H](NC(=O)NC[C@@H]1CN(C)CCN1C)C(=O)N1CCCC[C@H]1C ZINC000329427047 437368025 /nfs/dbraw/zinc/36/80/25/437368025.db2.gz GQZFADNJFIYLTK-QLFBSQMISA-N 1 1 339.484 0.525 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCC2(O)CCOCC2)[C@H](C)C1 ZINC000329479453 437374712 /nfs/dbraw/zinc/37/47/12/437374712.db2.gz CQOMOYGNKYYKOB-KGLIPLIRSA-N 1 1 329.441 0.219 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000337075240 437327141 /nfs/dbraw/zinc/32/71/41/437327141.db2.gz RLFKIESXKRWYCN-ZIAGYGMSSA-N 1 1 332.470 0.149 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000329809086 437415739 /nfs/dbraw/zinc/41/57/39/437415739.db2.gz PVQVNICGCUIYPN-GDBMZVCRSA-N 1 1 334.468 0.934 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCN2C(=O)NC[C@H]2C1)[NH+]1CCOCC1 ZINC000329813674 437416317 /nfs/dbraw/zinc/41/63/17/437416317.db2.gz TVRAHLRBPDMTIG-KBPBESRZSA-N 1 1 339.440 0.171 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCN2CCOC[C@@H]2C1)[NH+]1CCOCC1 ZINC000329860621 437421869 /nfs/dbraw/zinc/42/18/69/437421869.db2.gz XMKHRGGMITXHQO-HOTGVXAUSA-N 1 1 340.468 0.274 20 30 ECEDMO C=CCOCC[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000338959995 437429119 /nfs/dbraw/zinc/42/91/19/437429119.db2.gz IIVBLPQILRWNTK-UHFFFAOYSA-N 1 1 339.461 0.919 20 30 ECEDMO CC(C)N1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1=O ZINC000329597960 437389036 /nfs/dbraw/zinc/38/90/36/437389036.db2.gz JDDRFOYUKICBID-RBSFLKMASA-N 1 1 338.452 0.705 20 30 ECEDMO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCn2cncc2C1 ZINC000329670861 437399116 /nfs/dbraw/zinc/39/91/16/437399116.db2.gz RXSRFWOASQAOEW-HZPDHXFCSA-N 1 1 333.436 0.991 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000338261886 437400233 /nfs/dbraw/zinc/40/02/33/437400233.db2.gz KTICCIWNNIUTSI-KRWDZBQOSA-N 1 1 325.453 0.840 20 30 ECEDMO CC[C@@H]1CN(C(=O)NC[C@@H]2COCCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000330266251 437475942 /nfs/dbraw/zinc/47/59/42/437475942.db2.gz PWIWQBWBTSOTLP-KFWWJZLASA-N 1 1 327.425 0.358 20 30 ECEDMO CC[C@@H]1CN(C(=O)NC[C@@H]2COCCO2)C[C@H]1[NH+]1CCOCC1 ZINC000330266252 437476612 /nfs/dbraw/zinc/47/66/12/437476612.db2.gz PWIWQBWBTSOTLP-RBSFLKMASA-N 1 1 327.425 0.358 20 30 ECEDMO Cc1nnsc1CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000330261402 437476864 /nfs/dbraw/zinc/47/68/64/437476864.db2.gz PBHQZOZYRTVHIU-JQWIXIFHSA-N 1 1 325.438 0.913 20 30 ECEDMO CO/N=C/c1ccc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000186678771 437480253 /nfs/dbraw/zinc/48/02/53/437480253.db2.gz BDBLRNHJMXYEDC-MBTVCVBTSA-N 1 1 344.415 0.703 20 30 ECEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000329958279 437437869 /nfs/dbraw/zinc/43/78/69/437437869.db2.gz PXTWDSUPQBRZJA-AWEZNQCLSA-N 1 1 346.497 0.395 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCc3c(ncn(C)c3=O)C2)C1 ZINC000330038977 437447166 /nfs/dbraw/zinc/44/71/66/437447166.db2.gz BTEKVSNWRYLHDJ-CYBMUJFWSA-N 1 1 333.436 0.784 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](CCO)C[C@@H](C)O)c(OC)c1 ZINC000289926184 437448999 /nfs/dbraw/zinc/44/89/99/437448999.db2.gz UQOQXLMHEKZXQI-ZBFHGGJFSA-N 1 1 339.432 0.839 20 30 ECEDMO C=C[C@H](CO)NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000290070759 437460391 /nfs/dbraw/zinc/46/03/91/437460391.db2.gz BNQKSSVQEWFUCU-UKRRQHHQSA-N 1 1 332.404 0.805 20 30 ECEDMO C=C[C@H](CO)NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000290070759 437460395 /nfs/dbraw/zinc/46/03/95/437460395.db2.gz BNQKSSVQEWFUCU-UKRRQHHQSA-N 1 1 332.404 0.805 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CCCS2(=O)=O)CCSC1 ZINC000330159424 437461343 /nfs/dbraw/zinc/46/13/43/437461343.db2.gz QXGZPQPPKFPMAN-YPMHNXCESA-N 1 1 335.495 0.505 20 30 ECEDMO CS(=O)(=O)N1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330182924 437463999 /nfs/dbraw/zinc/46/39/99/437463999.db2.gz HPHLSEPKFWLEOC-LBPRGKRZSA-N 1 1 341.437 0.079 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)CCSC1 ZINC000330187641 437466131 /nfs/dbraw/zinc/46/61/31/437466131.db2.gz KOECAQQBSBQEAQ-JSGCOSHPSA-N 1 1 349.522 0.704 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC000330408319 437502013 /nfs/dbraw/zinc/50/20/13/437502013.db2.gz JJAKWNGRYSZARO-KGLIPLIRSA-N 1 1 327.425 0.895 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000330416245 437505149 /nfs/dbraw/zinc/50/51/49/437505149.db2.gz UXVPWEIHXYTIEQ-UHFFFAOYSA-N 1 1 349.439 0.421 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000290743005 437523827 /nfs/dbraw/zinc/52/38/27/437523827.db2.gz XQFYCGJLWGMVLR-UHFFFAOYSA-N 1 1 348.447 0.945 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NCCCN(C)CC[NH+](C)C ZINC000290743005 437523830 /nfs/dbraw/zinc/52/38/30/437523830.db2.gz XQFYCGJLWGMVLR-UHFFFAOYSA-N 1 1 348.447 0.945 20 30 ECEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000290759728 437525887 /nfs/dbraw/zinc/52/58/87/437525887.db2.gz KEFSKQHOFQCIQH-AWEZNQCLSA-N 1 1 348.378 0.551 20 30 ECEDMO CC1(C)OCC(CO)([NH2+]CC(=O)NCc2ccc(C#N)cc2)CO1 ZINC000291070982 437556425 /nfs/dbraw/zinc/55/64/25/437556425.db2.gz FGHAIVKFGUVCMY-UHFFFAOYSA-N 1 1 333.388 0.278 20 30 ECEDMO CCNC(=O)N1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000330694340 437590482 /nfs/dbraw/zinc/59/04/82/437590482.db2.gz BBXQDNRQWXJEST-UHFFFAOYSA-N 1 1 326.441 0.567 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCCN2CCCCC2=O)C[C@@H]1C ZINC000330826647 437626005 /nfs/dbraw/zinc/62/60/05/437626005.db2.gz FUOPNQDBJWHRQL-GJZGRUSLSA-N 1 1 340.468 0.690 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000330878731 437640651 /nfs/dbraw/zinc/64/06/51/437640651.db2.gz LRQMGDAONWZYFF-KBPBESRZSA-N 1 1 326.441 0.468 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000330878731 437640654 /nfs/dbraw/zinc/64/06/54/437640654.db2.gz LRQMGDAONWZYFF-KBPBESRZSA-N 1 1 326.441 0.468 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000343739187 437642684 /nfs/dbraw/zinc/64/26/84/437642684.db2.gz LUEVEKGQWWFWCB-BBRMVZONSA-N 1 1 334.464 0.352 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000343737074 437643073 /nfs/dbraw/zinc/64/30/73/437643073.db2.gz HYKURBXDVORABX-DZGCQCFKSA-N 1 1 334.464 0.494 20 30 ECEDMO CNC(=O)c1cccc(C[NH+]2CCC(NS(=O)(=O)NC)CC2)c1 ZINC000330908184 437648281 /nfs/dbraw/zinc/64/82/81/437648281.db2.gz FRLHMXUKQGWXBK-UHFFFAOYSA-N 1 1 340.449 0.639 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC(C#N)CC2)CCCO1 ZINC000360923284 437652759 /nfs/dbraw/zinc/65/27/59/437652759.db2.gz IOUSDNHXFKEFSX-CQSZACIVSA-N 1 1 336.436 0.366 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H](CC(N)=O)C2)CC1 ZINC000331027628 437674979 /nfs/dbraw/zinc/67/49/79/437674979.db2.gz XJGXDBFKMCPENG-CYBMUJFWSA-N 1 1 339.440 0.702 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)[C@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000331092070 437687126 /nfs/dbraw/zinc/68/71/26/437687126.db2.gz IRJSBWCFQHAMJK-KGLIPLIRSA-N 1 1 330.450 0.898 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000343918231 437695117 /nfs/dbraw/zinc/69/51/17/437695117.db2.gz VKDMBDATFKYQPH-YOEHRIQHSA-N 1 1 325.453 0.919 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343913434 437693859 /nfs/dbraw/zinc/69/38/59/437693859.db2.gz UMSFHUWAXRUOSG-INIZCTEOSA-N 1 1 328.416 0.792 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343913434 437693862 /nfs/dbraw/zinc/69/38/62/437693862.db2.gz UMSFHUWAXRUOSG-INIZCTEOSA-N 1 1 328.416 0.792 20 30 ECEDMO CN(C(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O)C1(C#N)CCCCC1 ZINC000340728047 437719322 /nfs/dbraw/zinc/71/93/22/437719322.db2.gz LTZXLLHMIYGJIS-UHFFFAOYSA-N 1 1 347.419 0.345 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C(=O)OC)C2)CC1 ZINC000331217116 437717513 /nfs/dbraw/zinc/71/75/13/437717513.db2.gz QFLADWIDILHPGN-WCQYABFASA-N 1 1 340.424 0.042 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC[N@H+]1CC(C)(C)O ZINC000331242208 437726273 /nfs/dbraw/zinc/72/62/73/437726273.db2.gz YDMLFCPEHLDHFI-AGIUHOORSA-N 1 1 342.440 0.760 20 30 ECEDMO COC[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000331257360 437727683 /nfs/dbraw/zinc/72/76/83/437727683.db2.gz CSIJQHRLJWZWNF-HRCADAONSA-N 1 1 343.468 0.993 20 30 ECEDMO C[C@@H](CCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[S@@](C)=O ZINC000331287077 437734096 /nfs/dbraw/zinc/73/40/96/437734096.db2.gz NRYHVKDYARMQEB-GPAUDHNESA-N 1 1 333.498 0.835 20 30 ECEDMO C[C@@H](CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[S@@](C)=O ZINC000331287077 437734100 /nfs/dbraw/zinc/73/41/00/437734100.db2.gz NRYHVKDYARMQEB-GPAUDHNESA-N 1 1 333.498 0.835 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)no1 ZINC000355865681 437734780 /nfs/dbraw/zinc/73/47/80/437734780.db2.gz QCRVFVVIGFOFJX-UHFFFAOYSA-N 1 1 340.387 0.965 20 30 ECEDMO Cn1c(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc(=O)n(C)c1=O ZINC000344122213 437736199 /nfs/dbraw/zinc/73/61/99/437736199.db2.gz QAHYVYWIRFXFNR-UHFFFAOYSA-N 1 1 342.399 0.604 20 30 ECEDMO CC(C)(CC#N)CS(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000331336450 437741129 /nfs/dbraw/zinc/74/11/29/437741129.db2.gz QKZXMXMISNGGCW-AWEZNQCLSA-N 1 1 329.466 0.910 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000341278800 437823806 /nfs/dbraw/zinc/82/38/06/437823806.db2.gz GFUNJYYIFLZFBP-OAHLLOKOSA-N 1 1 330.388 0.125 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)NCCCN2CCC[C@@H]2C(N)=O)CC1 ZINC000347021944 437826754 /nfs/dbraw/zinc/82/67/54/437826754.db2.gz XPEXIADKSWPQNA-OAHLLOKOSA-N 1 1 337.468 0.276 20 30 ECEDMO C=CCOCCCC(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000363277348 437779267 /nfs/dbraw/zinc/77/92/67/437779267.db2.gz YHTWYLJCFMNDPW-INIZCTEOSA-N 1 1 337.464 0.982 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000363521180 437796028 /nfs/dbraw/zinc/79/60/28/437796028.db2.gz XOBDNVUQASZIMS-CVEARBPZSA-N 1 1 335.452 0.479 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000363628793 437802774 /nfs/dbraw/zinc/80/27/74/437802774.db2.gz SQRJWAFGSUYTHL-ZDUSSCGKSA-N 1 1 331.482 0.813 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000346211341 437807328 /nfs/dbraw/zinc/80/73/28/437807328.db2.gz SYKBLRKPXRMPAP-FQLMCAECSA-N 1 1 335.448 0.825 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341416888 437843216 /nfs/dbraw/zinc/84/32/16/437843216.db2.gz JKXPLRCDLLIWLD-AWEZNQCLSA-N 1 1 346.431 0.964 20 30 ECEDMO COCC1(C#N)CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000341547863 437861841 /nfs/dbraw/zinc/86/18/41/437861841.db2.gz KMYLZTUIIYTZPR-HNNXBMFYSA-N 1 1 338.452 0.916 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000341899901 437921557 /nfs/dbraw/zinc/92/15/57/437921557.db2.gz OINBIYOCVWPCNY-UHFFFAOYSA-N 1 1 333.502 0.282 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000341899901 437921562 /nfs/dbraw/zinc/92/15/62/437921562.db2.gz OINBIYOCVWPCNY-UHFFFAOYSA-N 1 1 333.502 0.282 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000357014808 437887126 /nfs/dbraw/zinc/88/71/26/437887126.db2.gz YLQCJZVTECTLRH-UHFFFAOYSA-N 1 1 339.403 0.918 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000357014808 437887131 /nfs/dbraw/zinc/88/71/31/437887131.db2.gz YLQCJZVTECTLRH-UHFFFAOYSA-N 1 1 339.403 0.918 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2(C#N)CCOCC2)CC1=O ZINC000365344622 437896031 /nfs/dbraw/zinc/89/60/31/437896031.db2.gz YILJBARGMRIYIO-CABCVRRESA-N 1 1 348.447 0.508 20 30 ECEDMO COCC1(C#N)CC[NH+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000341995823 437938055 /nfs/dbraw/zinc/93/80/55/437938055.db2.gz SEYVDYLEWWUVLC-OAHLLOKOSA-N 1 1 336.436 0.366 20 30 ECEDMO C=CCn1cc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000424907584 437995952 /nfs/dbraw/zinc/99/59/52/437995952.db2.gz KHPGFIMWCJFQJG-QGZVFWFLSA-N 1 1 341.415 0.981 20 30 ECEDMO C=CCn1cc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000424907584 437995960 /nfs/dbraw/zinc/99/59/60/437995960.db2.gz KHPGFIMWCJFQJG-QGZVFWFLSA-N 1 1 341.415 0.981 20 30 ECEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn(C)c(=O)n(C)c1=O ZINC000348653033 438081761 /nfs/dbraw/zinc/08/17/61/438081761.db2.gz WBDIJROCIUFAPW-UHFFFAOYSA-N 1 1 333.388 0.748 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@H](CC(C)C)[NH+]2CCOCC2)C1=O ZINC000348503285 438067187 /nfs/dbraw/zinc/06/71/87/438067187.db2.gz WTHVKNSQBIGAOC-GJZGRUSLSA-N 1 1 339.436 0.856 20 30 ECEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000366438642 438075875 /nfs/dbraw/zinc/07/58/75/438075875.db2.gz LSIUMFDUZUWPBA-HUUCEWRRSA-N 1 1 340.383 0.528 20 30 ECEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000366438642 438075880 /nfs/dbraw/zinc/07/58/80/438075880.db2.gz LSIUMFDUZUWPBA-HUUCEWRRSA-N 1 1 340.383 0.528 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000430391703 438111388 /nfs/dbraw/zinc/11/13/88/438111388.db2.gz GYTWNSFEGPQPMY-HOTGVXAUSA-N 1 1 335.448 0.638 20 30 ECEDMO COC(=O)CN1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000349050560 438129966 /nfs/dbraw/zinc/12/99/66/438129966.db2.gz JKUYDHNYHVIWNF-HNNXBMFYSA-N 1 1 333.388 0.089 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373248042 438139811 /nfs/dbraw/zinc/13/98/11/438139811.db2.gz VYQQIGGERUBCHE-UHFFFAOYSA-N 1 1 336.352 0.440 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)nn1CCC#N ZINC000349283195 438145725 /nfs/dbraw/zinc/14/57/25/438145725.db2.gz OYXOHDVWGYZENM-AAEUAGOBSA-N 1 1 344.419 0.785 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000366977660 438149598 /nfs/dbraw/zinc/14/95/98/438149598.db2.gz VFBSFOIVAUFRBO-ZIAGYGMSSA-N 1 1 344.481 0.650 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000366977660 438149602 /nfs/dbraw/zinc/14/96/02/438149602.db2.gz VFBSFOIVAUFRBO-ZIAGYGMSSA-N 1 1 344.481 0.650 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000367250425 438189264 /nfs/dbraw/zinc/18/92/64/438189264.db2.gz IMFYBIWLKYAIBM-GJZGRUSLSA-N 1 1 343.497 0.034 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](OC)C[C@H]1CC(=O)OCC ZINC000373568960 438159719 /nfs/dbraw/zinc/15/97/19/438159719.db2.gz SIYMILCXPYYSHR-NWDGAFQWSA-N 1 1 327.381 0.041 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](OC)C[C@H]1CC(=O)OCC ZINC000373568960 438159726 /nfs/dbraw/zinc/15/97/26/438159726.db2.gz SIYMILCXPYYSHR-NWDGAFQWSA-N 1 1 327.381 0.041 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)C1=O ZINC000373867177 438172437 /nfs/dbraw/zinc/17/24/37/438172437.db2.gz OJSSWWHZBWFVAT-OAHLLOKOSA-N 1 1 341.477 0.663 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000374580754 438218291 /nfs/dbraw/zinc/21/82/91/438218291.db2.gz UGGKCHRIRVDOAD-ILXRZTDVSA-N 1 1 344.481 0.556 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000367778385 438247725 /nfs/dbraw/zinc/24/77/25/438247725.db2.gz VAJDWRLMYQJNAH-INIZCTEOSA-N 1 1 343.493 0.068 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000367778385 438247729 /nfs/dbraw/zinc/24/77/29/438247729.db2.gz VAJDWRLMYQJNAH-INIZCTEOSA-N 1 1 343.493 0.068 20 30 ECEDMO CN(C)S(=O)(=O)CC[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000375577976 438257635 /nfs/dbraw/zinc/25/76/35/438257635.db2.gz MZLCJGNQNLBKQY-UHFFFAOYSA-N 1 1 337.449 0.357 20 30 ECEDMO CN(C)S(=O)(=O)CC[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000375577976 438257639 /nfs/dbraw/zinc/25/76/39/438257639.db2.gz MZLCJGNQNLBKQY-UHFFFAOYSA-N 1 1 337.449 0.357 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367914954 438264420 /nfs/dbraw/zinc/26/44/20/438264420.db2.gz GWSRBXCOLATUCJ-PBWFPOADSA-N 1 1 329.466 0.854 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000375955841 438268289 /nfs/dbraw/zinc/26/82/89/438268289.db2.gz TUWBOAAFCLJPTO-AWEZNQCLSA-N 1 1 344.481 0.700 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000376246765 438277393 /nfs/dbraw/zinc/27/73/93/438277393.db2.gz HAFKDLICPBXZTJ-OAHLLOKOSA-N 1 1 341.477 0.216 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000376329400 438279672 /nfs/dbraw/zinc/27/96/72/438279672.db2.gz AUAOHYZBXQGXGC-MRXNPFEDSA-N 1 1 343.431 0.632 20 30 ECEDMO C#CCCCS(=O)(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000376398345 438281759 /nfs/dbraw/zinc/28/17/59/438281759.db2.gz WSAXHIOTTSGPMD-IAGOWNOFSA-N 1 1 336.457 0.955 20 30 ECEDMO C#CCCCS(=O)(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000376398345 438281761 /nfs/dbraw/zinc/28/17/61/438281761.db2.gz WSAXHIOTTSGPMD-IAGOWNOFSA-N 1 1 336.457 0.955 20 30 ECEDMO C#CCCCS(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000376398343 438282197 /nfs/dbraw/zinc/28/21/97/438282197.db2.gz WSAXHIOTTSGPMD-DLBZAZTESA-N 1 1 336.457 0.955 20 30 ECEDMO C#CCCCS(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000376398343 438282199 /nfs/dbraw/zinc/28/21/99/438282199.db2.gz WSAXHIOTTSGPMD-DLBZAZTESA-N 1 1 336.457 0.955 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](Nc3nccc(C#N)c3[N+](=O)[O-])C2)CC1 ZINC000376666494 438289700 /nfs/dbraw/zinc/28/97/00/438289700.db2.gz SFPKMHJHBCJEKK-ZDUSSCGKSA-N 1 1 330.392 1.442 20 30 ECEDMO Cc1cc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nn1CCC#N ZINC000368462416 438334692 /nfs/dbraw/zinc/33/46/92/438334692.db2.gz QWWMYVNBQBYZFU-KGLIPLIRSA-N 1 1 332.408 1.090 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000434718097 438318292 /nfs/dbraw/zinc/31/82/92/438318292.db2.gz LDFBPMMNQODZRA-KRWDZBQOSA-N 1 1 335.448 0.539 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)s1 ZINC000435424433 438365391 /nfs/dbraw/zinc/36/53/91/438365391.db2.gz VHKDXSYBNXIPGA-NSHDSACASA-N 1 1 342.446 0.238 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000435424433 438365395 /nfs/dbraw/zinc/36/53/95/438365395.db2.gz VHKDXSYBNXIPGA-NSHDSACASA-N 1 1 342.446 0.238 20 30 ECEDMO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000359232755 438384999 /nfs/dbraw/zinc/38/49/99/438384999.db2.gz UABSEYQJMXZSJR-LBPRGKRZSA-N 1 1 344.419 0.801 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352247355 438401696 /nfs/dbraw/zinc/40/16/96/438401696.db2.gz XUQLFOLPLVRJKZ-GFCCVEGCSA-N 1 1 342.465 0.199 20 30 ECEDMO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000352239045 438402424 /nfs/dbraw/zinc/40/24/24/438402424.db2.gz RVCIPBUSNJUIBG-AWEZNQCLSA-N 1 1 325.453 0.763 20 30 ECEDMO Cc1sc(NC(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(C#N)c1C ZINC000405203417 438467412 /nfs/dbraw/zinc/46/74/12/438467412.db2.gz BZWOLMRXYQFPAW-QWHCGFSZSA-N 1 1 334.445 0.926 20 30 ECEDMO Cn1cc(C[C@H]2CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)cn1 ZINC000370002564 438540339 /nfs/dbraw/zinc/54/03/39/438540339.db2.gz QKAZTCYCGWPQGL-OAHLLOKOSA-N 1 1 328.420 0.940 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000441221503 438580079 /nfs/dbraw/zinc/58/00/79/438580079.db2.gz AFBHYBHMEUHHHS-SUYBPPKGSA-N 1 1 339.436 0.675 20 30 ECEDMO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000441250994 438581107 /nfs/dbraw/zinc/58/11/07/438581107.db2.gz FZDZUIBISHUDOL-KRWDZBQOSA-N 1 1 345.399 0.420 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)nn1CCC#N ZINC000442301723 438604582 /nfs/dbraw/zinc/60/45/82/438604582.db2.gz INJLEVJQNXXKAH-STQMWFEESA-N 1 1 332.408 0.595 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)nn1CCC#N ZINC000442301723 438604584 /nfs/dbraw/zinc/60/45/84/438604584.db2.gz INJLEVJQNXXKAH-STQMWFEESA-N 1 1 332.408 0.595 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000447387945 438677366 /nfs/dbraw/zinc/67/73/66/438677366.db2.gz VQTGHUNBSZUSPM-HUUCEWRRSA-N 1 1 327.425 0.094 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000447387945 438677368 /nfs/dbraw/zinc/67/73/68/438677368.db2.gz VQTGHUNBSZUSPM-HUUCEWRRSA-N 1 1 327.425 0.094 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411966089 438683830 /nfs/dbraw/zinc/68/38/30/438683830.db2.gz LBXILGZFSIDNHR-KSSFIOAISA-N 1 1 328.416 0.876 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412055193 438685833 /nfs/dbraw/zinc/68/58/33/438685833.db2.gz KQYUCRUUZUTTCS-ZIAGYGMSSA-N 1 1 336.436 0.864 20 30 ECEDMO C[C@H]1C[C@@]1(C#N)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000448847005 438686232 /nfs/dbraw/zinc/68/62/32/438686232.db2.gz JUSVCPCTQIWXSD-KXBFYZLASA-N 1 1 340.427 0.997 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1C#N ZINC000453712297 438690147 /nfs/dbraw/zinc/69/01/47/438690147.db2.gz NFQQTAAEZMKWCR-RISCZKNCSA-N 1 1 327.388 0.895 20 30 ECEDMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000453719620 438690435 /nfs/dbraw/zinc/69/04/35/438690435.db2.gz XSYRXRYOXUPBEN-MRXNPFEDSA-N 1 1 344.415 0.720 20 30 ECEDMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000453719619 438690783 /nfs/dbraw/zinc/69/07/83/438690783.db2.gz XSYRXRYOXUPBEN-INIZCTEOSA-N 1 1 344.415 0.720 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000453805889 438696101 /nfs/dbraw/zinc/69/61/01/438696101.db2.gz MKXZCADHZRSNIQ-MRXNPFEDSA-N 1 1 344.415 0.768 20 30 ECEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000575141277 438739681 /nfs/dbraw/zinc/73/96/81/438739681.db2.gz RAZWPXSBHQZUDJ-HNNXBMFYSA-N 1 1 343.435 0.776 20 30 ECEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000575141277 438739683 /nfs/dbraw/zinc/73/96/83/438739683.db2.gz RAZWPXSBHQZUDJ-HNNXBMFYSA-N 1 1 343.435 0.776 20 30 ECEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1COCCC1N=NC1=[NH+]CCN1 ZINC000497285409 438788515 /nfs/dbraw/zinc/78/85/15/438788515.db2.gz STQVWBJCEMKWGI-MNOVXSKESA-N 1 1 325.413 0.841 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c(F)c1 ZINC000577149533 438815438 /nfs/dbraw/zinc/81/54/38/438815438.db2.gz XWMRYRKJRYFIBM-CYBMUJFWSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(F)c1 ZINC000577149533 438815445 /nfs/dbraw/zinc/81/54/45/438815445.db2.gz XWMRYRKJRYFIBM-CYBMUJFWSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000595619906 438834363 /nfs/dbraw/zinc/83/43/63/438834363.db2.gz BPABRSXYEQGQHZ-CYBMUJFWSA-N 1 1 331.424 0.856 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccccc2CC#N)CC1 ZINC000601320941 438845596 /nfs/dbraw/zinc/84/55/96/438845596.db2.gz KVEDGRXLEOAQPU-UHFFFAOYSA-N 1 1 328.416 0.989 20 30 ECEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863651 438845819 /nfs/dbraw/zinc/84/58/19/438845819.db2.gz SKYAQGKBJHVVHP-IMJJTQAJSA-N 1 1 329.400 0.993 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000588966099 438850836 /nfs/dbraw/zinc/85/08/36/438850836.db2.gz FHUOJDQARUPMIX-BFKWJSRZSA-N 1 1 337.464 0.981 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000588966099 438850838 /nfs/dbraw/zinc/85/08/38/438850838.db2.gz FHUOJDQARUPMIX-BFKWJSRZSA-N 1 1 337.464 0.981 20 30 ECEDMO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000601460674 438904700 /nfs/dbraw/zinc/90/47/00/438904700.db2.gz XYUNYGPGFJIACM-UONOGXRCSA-N 1 1 339.392 0.445 20 30 ECEDMO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000601460674 438904701 /nfs/dbraw/zinc/90/47/01/438904701.db2.gz XYUNYGPGFJIACM-UONOGXRCSA-N 1 1 339.392 0.445 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@]3(C)C2)CC1 ZINC000595759394 438856943 /nfs/dbraw/zinc/85/69/43/438856943.db2.gz PJJKLBUPEQEIOU-RYRKJORJSA-N 1 1 334.464 0.647 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1)C1CC1 ZINC000563243311 438859990 /nfs/dbraw/zinc/85/99/90/438859990.db2.gz GREHUWQBRPPXEV-JTDSTZFVSA-N 1 1 340.427 0.996 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H]3COC[C@H]3C2)CC1 ZINC000595832815 438868831 /nfs/dbraw/zinc/86/88/31/438868831.db2.gz QPVHZSXSUAUHCU-BBWFWOEESA-N 1 1 334.464 0.647 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cccc(C#N)n1 ZINC000589371702 438870716 /nfs/dbraw/zinc/87/07/16/438870716.db2.gz WFBZTDIHWFIUFZ-HNNXBMFYSA-N 1 1 329.404 0.626 20 30 ECEDMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CCC#N)CC1 ZINC000564915789 438885427 /nfs/dbraw/zinc/88/54/27/438885427.db2.gz MEWOFTJZIVQNAB-LLVKDONJSA-N 1 1 347.419 0.253 20 30 ECEDMO Cc1nc(S(=O)(=O)N2CC[NH+](C[C@@H](C)CCC#N)CC2)cn1C ZINC000589821270 438887728 /nfs/dbraw/zinc/88/77/28/438887728.db2.gz MSFSZTKTABETER-ZDUSSCGKSA-N 1 1 339.465 0.975 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC[N@H+]1C ZINC000601522414 438925322 /nfs/dbraw/zinc/92/53/22/438925322.db2.gz ZHFBESBCVHIESC-GOEBONIOSA-N 1 1 344.463 0.979 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000596169795 438936129 /nfs/dbraw/zinc/93/61/29/438936129.db2.gz VQOKWKFCRSKLLO-AWEZNQCLSA-N 1 1 328.420 0.653 20 30 ECEDMO CCc1nc(C#N)cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000596174883 438936650 /nfs/dbraw/zinc/93/66/50/438936650.db2.gz NENLSZVDBYGISE-CQSZACIVSA-N 1 1 328.420 0.829 20 30 ECEDMO C=CCn1cc(CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)nn1 ZINC000578232316 438908702 /nfs/dbraw/zinc/90/87/02/438908702.db2.gz OREKNJBOYJVDCL-UHFFFAOYSA-N 1 1 340.391 0.742 20 30 ECEDMO CC(=O)NCCN(C)c1cc(C)[nH+]c(N(C)CCNC(C)=O)c1C#N ZINC000596288951 438951443 /nfs/dbraw/zinc/95/14/43/438951443.db2.gz SGZQHGUXKKDDOK-UHFFFAOYSA-N 1 1 346.435 0.406 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000565657895 438969231 /nfs/dbraw/zinc/96/92/31/438969231.db2.gz FFNXPTUDXVLUSQ-CYBMUJFWSA-N 1 1 331.401 0.939 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000565657895 438969235 /nfs/dbraw/zinc/96/92/35/438969235.db2.gz FFNXPTUDXVLUSQ-CYBMUJFWSA-N 1 1 331.401 0.939 20 30 ECEDMO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000517752865 438977804 /nfs/dbraw/zinc/97/78/04/438977804.db2.gz KUIULJMRAASDCC-CYBMUJFWSA-N 1 1 334.424 0.123 20 30 ECEDMO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000517752865 438977808 /nfs/dbraw/zinc/97/78/08/438977808.db2.gz KUIULJMRAASDCC-CYBMUJFWSA-N 1 1 334.424 0.123 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+](C)C1 ZINC000591155790 438986278 /nfs/dbraw/zinc/98/62/78/438986278.db2.gz CUTMNMYWMSXGNL-AWEZNQCLSA-N 1 1 348.378 0.944 20 30 ECEDMO CN(CCC#N)C[C@H](O)C[NH2+]Cc1c(Br)cnn1C ZINC000601967047 438992797 /nfs/dbraw/zinc/99/27/97/438992797.db2.gz HNHQNTPNTQWWHB-SNVBAGLBSA-N 1 1 330.230 0.479 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]23CCNC3=O)CC1 ZINC000565959498 438993018 /nfs/dbraw/zinc/99/30/18/438993018.db2.gz ONBBQDRIMKYVID-MAUKXSAKSA-N 1 1 347.463 0.033 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@]23CCNC3=O)CC1 ZINC000565959498 438993023 /nfs/dbraw/zinc/99/30/23/438993023.db2.gz ONBBQDRIMKYVID-MAUKXSAKSA-N 1 1 347.463 0.033 20 30 ECEDMO N#CCCN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000602273359 439054624 /nfs/dbraw/zinc/05/46/24/439054624.db2.gz MUBSUNLNFFJQQM-INIZCTEOSA-N 1 1 347.463 0.177 20 30 ECEDMO C=CCN(C)C(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000459896484 439026248 /nfs/dbraw/zinc/02/62/48/439026248.db2.gz AQWJTJNLDZVJIT-IBGZPJMESA-N 1 1 345.443 0.726 20 30 ECEDMO C=CCCCC[NH+]1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000520965915 439099059 /nfs/dbraw/zinc/09/90/59/439099059.db2.gz VSCXUSSCYSUSSH-UHFFFAOYSA-N 1 1 330.498 0.453 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000592154825 439169573 /nfs/dbraw/zinc/16/95/73/439169573.db2.gz YCOPOVWDIYKSON-OAHLLOKOSA-N 1 1 344.415 0.637 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@](C)(CO)C1 ZINC000602963572 439171576 /nfs/dbraw/zinc/17/15/76/439171576.db2.gz GXWVHSQMWCJURG-NJAFHUGGSA-N 1 1 334.416 0.964 20 30 ECEDMO C[C@@H]1C[NH+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)N1CC#N ZINC000602854610 439144097 /nfs/dbraw/zinc/14/40/97/439144097.db2.gz CYAFLDNQWBHYPK-ZIAGYGMSSA-N 1 1 333.436 0.769 20 30 ECEDMO COC(=O)CCN1CCC[C@H]([N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602850211 439144702 /nfs/dbraw/zinc/14/47/02/439144702.db2.gz PNOYSIQPWGGICF-ZNMIVQPWSA-N 1 1 336.436 0.459 20 30 ECEDMO COC(=O)CCN1CCC[C@H]([N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602850211 439144705 /nfs/dbraw/zinc/14/47/05/439144705.db2.gz PNOYSIQPWGGICF-ZNMIVQPWSA-N 1 1 336.436 0.459 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856057 439145205 /nfs/dbraw/zinc/14/52/05/439145205.db2.gz JPFJNSRRIZHXPW-TUVASFSCSA-N 1 1 335.452 0.017 20 30 ECEDMO C[C@]1(CO)C[C@H](O)C[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000602900271 439155607 /nfs/dbraw/zinc/15/56/07/439155607.db2.gz SFOHPMVGJDBWRT-XYJFISCASA-N 1 1 329.400 0.871 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000522830658 439158273 /nfs/dbraw/zinc/15/82/73/439158273.db2.gz MJTRESOTSNIFLV-ZDUSSCGKSA-N 1 1 330.388 0.963 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000592204276 439180046 /nfs/dbraw/zinc/18/00/46/439180046.db2.gz AQPPSXRVOQCXRJ-ILXRZTDVSA-N 1 1 334.372 0.154 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000592200546 439180322 /nfs/dbraw/zinc/18/03/22/439180322.db2.gz SXSIFEICAXADGJ-KGLIPLIRSA-N 1 1 334.372 0.801 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000603085729 439192006 /nfs/dbraw/zinc/19/20/06/439192006.db2.gz GMSDHSDNRBABEU-VBQJREDUSA-N 1 1 346.456 0.524 20 30 ECEDMO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1=O ZINC000568078552 439210681 /nfs/dbraw/zinc/21/06/81/439210681.db2.gz VYCKZFVQEJHPLX-BNOWGMLFSA-N 1 1 348.428 0.326 20 30 ECEDMO C[C@@H](C#N)N(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000598129021 439228042 /nfs/dbraw/zinc/22/80/42/439228042.db2.gz RMBOLOTWWLTTBQ-GOEBONIOSA-N 1 1 348.447 0.603 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)n1cnc(C#N)n1 ZINC000598366832 439256153 /nfs/dbraw/zinc/25/61/53/439256153.db2.gz FMGNSYHKBGQYIX-MGPQQGTHSA-N 1 1 344.419 0.470 20 30 ECEDMO N#Cc1ccnc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000603413737 439258405 /nfs/dbraw/zinc/25/84/05/439258405.db2.gz ZRHWXHYEWXBSAH-INIZCTEOSA-N 1 1 343.431 0.480 20 30 ECEDMO CC(C)(C#N)CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603432474 439261807 /nfs/dbraw/zinc/26/18/07/439261807.db2.gz QMQJRBNQZZAKNM-OAHLLOKOSA-N 1 1 337.468 0.632 20 30 ECEDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@H]1C ZINC000527407719 439271314 /nfs/dbraw/zinc/27/13/14/439271314.db2.gz OIOYHWJRPZJNGG-KGLIPLIRSA-N 1 1 346.435 0.985 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@H]1C ZINC000527407719 439271319 /nfs/dbraw/zinc/27/13/19/439271319.db2.gz OIOYHWJRPZJNGG-KGLIPLIRSA-N 1 1 346.435 0.985 20 30 ECEDMO C=CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CCS(=O)(=O)C1 ZINC000568754368 439273358 /nfs/dbraw/zinc/27/33/58/439273358.db2.gz MYPYSAFQRLBGHU-ZFWWWQNUSA-N 1 1 337.445 0.956 20 30 ECEDMO C#C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C ZINC000490987026 439320056 /nfs/dbraw/zinc/32/00/56/439320056.db2.gz WQMLZWFVMXUCPD-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)CC[N@@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000491118400 439332555 /nfs/dbraw/zinc/33/25/55/439332555.db2.gz DGRVBDKCUQVQEX-UHFFFAOYSA-N 1 1 337.449 0.746 20 30 ECEDMO C#CCNC(=O)CC[N@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000491118400 439332562 /nfs/dbraw/zinc/33/25/62/439332562.db2.gz DGRVBDKCUQVQEX-UHFFFAOYSA-N 1 1 337.449 0.746 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528405015 439332974 /nfs/dbraw/zinc/33/29/74/439332974.db2.gz PWGRBRNSTFVCPD-UONOGXRCSA-N 1 1 331.420 0.525 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528405015 439332980 /nfs/dbraw/zinc/33/29/80/439332980.db2.gz PWGRBRNSTFVCPD-UONOGXRCSA-N 1 1 331.420 0.525 20 30 ECEDMO NC(=O)N[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528427217 439336405 /nfs/dbraw/zinc/33/64/05/439336405.db2.gz IOBJCANQMJEXTO-LBPRGKRZSA-N 1 1 326.356 0.029 20 30 ECEDMO NC(=O)N[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528427217 439336409 /nfs/dbraw/zinc/33/64/09/439336409.db2.gz IOBJCANQMJEXTO-LBPRGKRZSA-N 1 1 326.356 0.029 20 30 ECEDMO CC(=O)N1CCN([C@@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H]2C)CC1 ZINC000598597568 439285234 /nfs/dbraw/zinc/28/52/34/439285234.db2.gz YXULPQNAPHFAKA-BHYGNILZSA-N 1 1 336.480 0.772 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000490891517 439307214 /nfs/dbraw/zinc/30/72/14/439307214.db2.gz FWPBXMKEMCILRW-CQSZACIVSA-N 1 1 337.401 0.708 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000490891517 439307218 /nfs/dbraw/zinc/30/72/18/439307218.db2.gz FWPBXMKEMCILRW-CQSZACIVSA-N 1 1 337.401 0.708 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000490875412 439308258 /nfs/dbraw/zinc/30/82/58/439308258.db2.gz PYYUIPDPEJGYME-RBSFLKMASA-N 1 1 332.400 0.802 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000491303218 439365157 /nfs/dbraw/zinc/36/51/57/439365157.db2.gz AIEPPYVOCAVOSG-UHFFFAOYSA-N 1 1 325.453 0.808 20 30 ECEDMO COCCN1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)CC1=O ZINC000528470101 439339412 /nfs/dbraw/zinc/33/94/12/439339412.db2.gz CNZYGSLSOXRIAI-MRXNPFEDSA-N 1 1 347.415 0.479 20 30 ECEDMO COCCN1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC1=O ZINC000528470101 439339417 /nfs/dbraw/zinc/33/94/17/439339417.db2.gz CNZYGSLSOXRIAI-MRXNPFEDSA-N 1 1 347.415 0.479 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000491155712 439340062 /nfs/dbraw/zinc/34/00/62/439340062.db2.gz UEXCFMYJAIQWMN-HNNXBMFYSA-N 1 1 334.464 0.889 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)cc(F)c1OC ZINC000491166692 439342006 /nfs/dbraw/zinc/34/20/06/439342006.db2.gz UBYZYCODSLEOJD-UHFFFAOYSA-N 1 1 339.342 0.983 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000491209427 439348294 /nfs/dbraw/zinc/34/82/94/439348294.db2.gz HBDRNKOZZQSYEV-OAHLLOKOSA-N 1 1 343.431 0.514 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000491209427 439348299 /nfs/dbraw/zinc/34/82/99/439348299.db2.gz HBDRNKOZZQSYEV-OAHLLOKOSA-N 1 1 343.431 0.514 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N(C)CC(=O)NCc1ccccc1 ZINC000491256034 439358098 /nfs/dbraw/zinc/35/80/98/439358098.db2.gz ZALSONOVGUHUAE-UHFFFAOYSA-N 1 1 330.432 0.899 20 30 ECEDMO C#C[C@@H]1COCCN1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000491370988 439372309 /nfs/dbraw/zinc/37/23/09/439372309.db2.gz CCOQRUKGBRGROT-MSOLQXFVSA-N 1 1 343.427 0.797 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCCN1S(=O)(=O)CCC ZINC000491502968 439394536 /nfs/dbraw/zinc/39/45/36/439394536.db2.gz AOYSUVCDJYILAU-OAHLLOKOSA-N 1 1 343.493 0.652 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000593526500 439394670 /nfs/dbraw/zinc/39/46/70/439394670.db2.gz GMCFFQIOYKSZKK-UHFFFAOYSA-N 1 1 337.401 0.719 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)ncc1C#N ZINC000582973522 439403419 /nfs/dbraw/zinc/40/34/19/439403419.db2.gz BMONDCOLFVRNGP-UHFFFAOYSA-N 1 1 327.388 0.897 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1 ZINC000491616680 439411789 /nfs/dbraw/zinc/41/17/89/439411789.db2.gz BRIHCFCYEGADHP-ZBFHGGJFSA-N 1 1 347.440 0.374 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)ncc1C#N ZINC000583094125 439420523 /nfs/dbraw/zinc/42/05/23/439420523.db2.gz RAQYOHQSDNMJEF-LBPRGKRZSA-N 1 1 327.388 0.967 20 30 ECEDMO C[N@H+](C[C@@H](O)COc1ccccc1C#N)C[C@H]1CCS(=O)(=O)C1 ZINC000599298935 439423571 /nfs/dbraw/zinc/42/35/71/439423571.db2.gz BKIIDFGMIHPDNO-UKRRQHHQSA-N 1 1 338.429 0.664 20 30 ECEDMO C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C[C@H]1CCS(=O)(=O)C1 ZINC000599298935 439423574 /nfs/dbraw/zinc/42/35/74/439423574.db2.gz BKIIDFGMIHPDNO-UKRRQHHQSA-N 1 1 338.429 0.664 20 30 ECEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2CN2CCOCC2)CCOCC1 ZINC000599299381 439423859 /nfs/dbraw/zinc/42/38/59/439423859.db2.gz FHLAZDJSZXCTCS-IAGOWNOFSA-N 1 1 337.464 0.854 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491673344 439424016 /nfs/dbraw/zinc/42/40/16/439424016.db2.gz IJMXGALIGYKCBD-HIFRSBDPSA-N 1 1 347.381 0.399 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)C[NH+]2CCOCC2)n1 ZINC000491667149 439424766 /nfs/dbraw/zinc/42/47/66/439424766.db2.gz KYHYQYWJNCUWRH-MRXNPFEDSA-N 1 1 348.447 0.460 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491714646 439433803 /nfs/dbraw/zinc/43/38/03/439433803.db2.gz GZLCFGBZOXOCSK-TZMCWYRMSA-N 1 1 333.354 0.009 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491714646 439433809 /nfs/dbraw/zinc/43/38/09/439433809.db2.gz GZLCFGBZOXOCSK-TZMCWYRMSA-N 1 1 333.354 0.009 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1c(C)nn(COC)c1C ZINC000491725787 439435362 /nfs/dbraw/zinc/43/53/62/439435362.db2.gz IHZJZOBQLPFYLG-UHFFFAOYSA-N 1 1 328.438 0.337 20 30 ECEDMO C#CCN1C(=O)C[C@H](N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000491719404 439435393 /nfs/dbraw/zinc/43/53/93/439435393.db2.gz ZTVGPSBSZWVQCF-WBVHZDCISA-N 1 1 325.412 0.953 20 30 ECEDMO C#CCN1C(=O)C[C@H](N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000491719404 439435397 /nfs/dbraw/zinc/43/53/97/439435397.db2.gz ZTVGPSBSZWVQCF-WBVHZDCISA-N 1 1 325.412 0.953 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000491724741 439436033 /nfs/dbraw/zinc/43/60/33/439436033.db2.gz CFJDNMBNYBJRQL-UHFFFAOYSA-N 1 1 348.491 0.535 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=S)NCCC[NH+]2CCOCC2)n1 ZINC000491730368 439437289 /nfs/dbraw/zinc/43/72/89/439437289.db2.gz DSIHWLVGVDVXEK-UHFFFAOYSA-N 1 1 349.504 0.935 20 30 ECEDMO C#CCNC(=O)C1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000491750615 439442202 /nfs/dbraw/zinc/44/22/02/439442202.db2.gz VIXJUAMKEOFFCQ-UHFFFAOYSA-N 1 1 329.404 0.279 20 30 ECEDMO C#CCN1C(=O)C[C@H](N2CC[NH+](Cc3cccc(C)c3)CC2)C1=O ZINC000491772476 439446430 /nfs/dbraw/zinc/44/64/30/439446430.db2.gz AMBREDJYVPZVQR-KRWDZBQOSA-N 1 1 325.412 0.873 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000491772787 439446837 /nfs/dbraw/zinc/44/68/37/439446837.db2.gz RFILXTSQJTYKOM-UHFFFAOYSA-N 1 1 349.435 0.105 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000491799577 439453472 /nfs/dbraw/zinc/45/34/72/439453472.db2.gz UZRPITKZPDVRJL-SBSDFTTDSA-N 1 1 328.416 0.964 20 30 ECEDMO N#CCN1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530578273 439501128 /nfs/dbraw/zinc/50/11/28/439501128.db2.gz SFINDXZBLBYDHE-SFHVURJKSA-N 1 1 328.416 0.291 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000599559129 439504040 /nfs/dbraw/zinc/50/40/40/439504040.db2.gz SBDMMFUXSYYGIV-RHSMWYFYSA-N 1 1 334.372 0.562 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000599396570 439456414 /nfs/dbraw/zinc/45/64/14/439456414.db2.gz QBKBELKGXVWYMD-JTQLQIEISA-N 1 1 342.446 0.238 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000599396570 439456420 /nfs/dbraw/zinc/45/64/20/439456420.db2.gz QBKBELKGXVWYMD-JTQLQIEISA-N 1 1 342.446 0.238 20 30 ECEDMO N#Cc1cnn2cc(C[N@H+](CCO)CCOCC(F)(F)F)cnc12 ZINC000583872559 439522246 /nfs/dbraw/zinc/52/22/46/439522246.db2.gz RXOKJMDCVYPYKJ-UHFFFAOYSA-N 1 1 343.309 0.974 20 30 ECEDMO N#Cc1cnn2cc(C[N@@H+](CCO)CCOCC(F)(F)F)cnc12 ZINC000583872559 439522251 /nfs/dbraw/zinc/52/22/51/439522251.db2.gz RXOKJMDCVYPYKJ-UHFFFAOYSA-N 1 1 343.309 0.974 20 30 ECEDMO CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)N(C)CCC#N)C2)CC1 ZINC000538954096 439546807 /nfs/dbraw/zinc/54/68/07/439546807.db2.gz OQNZLGWLMRFNEL-QGZVFWFLSA-N 1 1 335.496 0.849 20 30 ECEDMO CC(C)N1CCN([C@@H]2CC[N@H+](CCC(=O)N(C)CCC#N)C2)CC1 ZINC000538954096 439546811 /nfs/dbraw/zinc/54/68/11/439546811.db2.gz OQNZLGWLMRFNEL-QGZVFWFLSA-N 1 1 335.496 0.849 20 30 ECEDMO CC(C)N1CCN([C@@H]2CC[N@@H+](CCC(=O)N(C)CCC#N)C2)CC1 ZINC000538954096 439546813 /nfs/dbraw/zinc/54/68/13/439546813.db2.gz OQNZLGWLMRFNEL-QGZVFWFLSA-N 1 1 335.496 0.849 20 30 ECEDMO COCCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000599777121 439556248 /nfs/dbraw/zinc/55/62/48/439556248.db2.gz XEWVTVWNLJWGJL-CQSZACIVSA-N 1 1 348.403 0.772 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC[N@H+]1C ZINC000542830653 439560792 /nfs/dbraw/zinc/56/07/92/439560792.db2.gz MVZMVWIFDGVOJW-NEPJUHHUSA-N 1 1 333.440 0.920 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484558 439568799 /nfs/dbraw/zinc/56/87/99/439568799.db2.gz UZTBTCWBSBGQKI-HUUCEWRRSA-N 1 1 344.481 0.700 20 30 ECEDMO CNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000609552060 439575214 /nfs/dbraw/zinc/57/52/14/439575214.db2.gz GPIQRGBOIYEGSL-JKSUJKDBSA-N 1 1 331.416 0.950 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000609549286 439575731 /nfs/dbraw/zinc/57/57/31/439575731.db2.gz ZWHSGFIDFRPQJD-UHFFFAOYSA-N 1 1 327.432 0.454 20 30 ECEDMO CC(C)[C@H](C#N)N1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000609539041 439575765 /nfs/dbraw/zinc/57/57/65/439575765.db2.gz QOVWVXSDXHWFEX-AWEZNQCLSA-N 1 1 335.452 0.873 20 30 ECEDMO CN(C)CC[N@H+](C)CCCN(C)Cc1cnc2c(C#N)cnn2c1 ZINC000572363935 439576608 /nfs/dbraw/zinc/57/66/08/439576608.db2.gz MATCQOGWOHZLGI-UHFFFAOYSA-N 1 1 329.452 0.916 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)Cc1cnc2c(C#N)cnn2c1 ZINC000572363935 439576610 /nfs/dbraw/zinc/57/66/10/439576610.db2.gz MATCQOGWOHZLGI-UHFFFAOYSA-N 1 1 329.452 0.916 20 30 ECEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc1 ZINC000599940189 439581385 /nfs/dbraw/zinc/58/13/85/439581385.db2.gz MJCQXFPLWOWZLN-KURKYZTESA-N 1 1 338.411 0.908 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419025 439587767 /nfs/dbraw/zinc/58/77/67/439587767.db2.gz SMAVYCYEFSNUSZ-HOTGVXAUSA-N 1 1 334.420 0.345 20 30 ECEDMO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419025 439587772 /nfs/dbraw/zinc/58/77/72/439587772.db2.gz SMAVYCYEFSNUSZ-HOTGVXAUSA-N 1 1 334.420 0.345 20 30 ECEDMO COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419025 439587778 /nfs/dbraw/zinc/58/77/78/439587778.db2.gz SMAVYCYEFSNUSZ-HOTGVXAUSA-N 1 1 334.420 0.345 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CCCO)C3CC3)CC2)o1 ZINC000610132947 439600989 /nfs/dbraw/zinc/60/09/89/439600989.db2.gz KORRKZHFNQEMPR-UHFFFAOYSA-N 1 1 347.419 0.350 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 ZINC000584663631 439606528 /nfs/dbraw/zinc/60/65/28/439606528.db2.gz IBCMSCZSQWXPQE-KGLIPLIRSA-N 1 1 328.420 0.727 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000594846373 439628316 /nfs/dbraw/zinc/62/83/16/439628316.db2.gz HXHYDJCIKKOCFX-UHFFFAOYSA-N 1 1 337.401 0.527 20 30 ECEDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000594844907 439628594 /nfs/dbraw/zinc/62/85/94/439628594.db2.gz VTPWWVZXRORIHF-UHFFFAOYSA-N 1 1 338.433 0.199 20 30 ECEDMO N#C[C@@H]1N(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCC[C@]12CCCCO2 ZINC000573416596 439643927 /nfs/dbraw/zinc/64/39/27/439643927.db2.gz LKXJOSVHXIJRJT-XYJFISCASA-N 1 1 332.448 0.830 20 30 ECEDMO N#CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000610788267 439647796 /nfs/dbraw/zinc/64/77/96/439647796.db2.gz TVKZIQXVLKUADF-IAGOWNOFSA-N 1 1 349.479 0.917 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)nn1CCC#N ZINC000595075235 439652091 /nfs/dbraw/zinc/65/20/91/439652091.db2.gz XNVZVFWULICFHG-ZDUSSCGKSA-N 1 1 346.435 1.033 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000610912368 439657863 /nfs/dbraw/zinc/65/78/63/439657863.db2.gz AFMRTFNBXJYPMV-WBMJQRKESA-N 1 1 333.388 0.781 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000610912368 439657864 /nfs/dbraw/zinc/65/78/64/439657864.db2.gz AFMRTFNBXJYPMV-WBMJQRKESA-N 1 1 333.388 0.781 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)n(CCC#N)n1 ZINC000610951858 439661236 /nfs/dbraw/zinc/66/12/36/439661236.db2.gz MXOJUERHWKBRAW-AWEZNQCLSA-N 1 1 344.419 0.644 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC[N@H+]1C ZINC000586859755 439665063 /nfs/dbraw/zinc/66/50/63/439665063.db2.gz HVXGOPBLVBQPMV-RISCZKNCSA-N 1 1 332.379 0.912 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595165923 439666063 /nfs/dbraw/zinc/66/60/63/439666063.db2.gz LDRIKYCPMXZJPV-RDTXWAMCSA-N 1 1 348.447 0.460 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC[N@@H+]1CC(C)(C)O ZINC000595173567 439668015 /nfs/dbraw/zinc/66/80/15/439668015.db2.gz ZRBUQYWYLRRBFT-GUYCJALGSA-N 1 1 336.436 0.052 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC[N@H+]1CC(C)(C)O ZINC000595173567 439668018 /nfs/dbraw/zinc/66/80/18/439668018.db2.gz ZRBUQYWYLRRBFT-GUYCJALGSA-N 1 1 336.436 0.052 20 30 ECEDMO N#CCCCS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000594819575 439620288 /nfs/dbraw/zinc/62/02/88/439620288.db2.gz LCSBPFWLFUGHTH-INIZCTEOSA-N 1 1 337.445 0.976 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000612408845 439700587 /nfs/dbraw/zinc/70/05/87/439700587.db2.gz SQSPAYKXHIGDPB-OAHLLOKOSA-N 1 1 338.452 0.080 20 30 ECEDMO C[C@@](O)(C[C@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)C1CC1 ZINC000600847219 439709800 /nfs/dbraw/zinc/70/98/00/439709800.db2.gz YAAKZPDYGDSYTR-FUHWJXTLSA-N 1 1 330.432 0.987 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595384752 439717997 /nfs/dbraw/zinc/71/79/97/439717997.db2.gz MRMMHTWKFVWGTR-HNNXBMFYSA-N 1 1 335.429 0.778 20 30 ECEDMO C[C@@]1(C#N)CCCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000612121860 439676805 /nfs/dbraw/zinc/67/68/05/439676805.db2.gz QPLYCHBDEXUCGB-YOEHRIQHSA-N 1 1 335.452 0.909 20 30 ECEDMO C[C@@]1(C#N)CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000612136913 439677936 /nfs/dbraw/zinc/67/79/36/439677936.db2.gz UYHZYQALBGGKLB-AEFFLSMTSA-N 1 1 349.479 0.728 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000574032883 439680149 /nfs/dbraw/zinc/68/01/49/439680149.db2.gz JQJJXAKDOXNWDC-QXSJWSMHSA-N 1 1 335.448 0.779 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)nn1CCC#N ZINC000611247880 439685314 /nfs/dbraw/zinc/68/53/14/439685314.db2.gz WDQZNUYQPQKOKK-CQSZACIVSA-N 1 1 344.419 0.644 20 30 ECEDMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000611359809 439693577 /nfs/dbraw/zinc/69/35/77/439693577.db2.gz SLVFQJJUFQUGPM-LBPRGKRZSA-N 1 1 332.408 0.659 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@](C)(C#N)C2)CC1 ZINC000595447398 439727962 /nfs/dbraw/zinc/72/79/62/439727962.db2.gz CKIYHLPEPYPEJC-QGZVFWFLSA-N 1 1 335.452 0.922 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000595497933 439735841 /nfs/dbraw/zinc/73/58/41/439735841.db2.gz CSRMIDOMFMIYEW-AWEZNQCLSA-N 1 1 335.408 0.225 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1CCO ZINC000614957770 439791137 /nfs/dbraw/zinc/79/11/37/439791137.db2.gz PUCQCVZZMGFLGD-UHFFFAOYSA-N 1 1 330.388 0.412 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1CCO ZINC000614957770 439791138 /nfs/dbraw/zinc/79/11/38/439791138.db2.gz PUCQCVZZMGFLGD-UHFFFAOYSA-N 1 1 330.388 0.412 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)nn1 ZINC001041733256 782079308 /nfs/dbraw/zinc/07/93/08/782079308.db2.gz ROIAEDIGPASZRD-CXAGYDPISA-N 1 1 346.435 0.266 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@](F)(C#N)C2)C1 ZINC000615643947 439803978 /nfs/dbraw/zinc/80/39/78/439803978.db2.gz GIUDVEDFDYDXOS-HOCLYGCPSA-N 1 1 326.416 0.397 20 30 ECEDMO C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1(CO)CCOCC1 ZINC000616830422 439823140 /nfs/dbraw/zinc/82/31/40/439823140.db2.gz PVKFIPHZMZYDCS-INIZCTEOSA-N 1 1 334.416 0.966 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@]3(C)CCCS3(=O)=O)C2)C1 ZINC001041736022 782084844 /nfs/dbraw/zinc/08/48/44/782084844.db2.gz LKPAKGUGRZKDOC-IAGOWNOFSA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@]3(C)CCCS3(=O)=O)C2)C1 ZINC001041736022 782084854 /nfs/dbraw/zinc/08/48/54/782084854.db2.gz LKPAKGUGRZKDOC-IAGOWNOFSA-N 1 1 338.473 0.901 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000658675467 440059792 /nfs/dbraw/zinc/05/97/92/440059792.db2.gz ULNGGHHMVJOWTK-IRXDYDNUSA-N 1 1 349.475 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)nn1 ZINC000644639895 440663386 /nfs/dbraw/zinc/66/33/86/440663386.db2.gz BQLAVGRYYSVRJI-HNNXBMFYSA-N 1 1 332.452 0.706 20 30 ECEDMO C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000634337703 440643485 /nfs/dbraw/zinc/64/34/85/440643485.db2.gz HJKGLVUXTRRKFU-HNNXBMFYSA-N 1 1 343.435 0.607 20 30 ECEDMO C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000634337703 440643489 /nfs/dbraw/zinc/64/34/89/440643489.db2.gz HJKGLVUXTRRKFU-HNNXBMFYSA-N 1 1 343.435 0.607 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000645141781 440754246 /nfs/dbraw/zinc/75/42/46/440754246.db2.gz LZRWJOKXIFPSLS-RBSFLKMASA-N 1 1 325.453 0.948 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656341137 440779211 /nfs/dbraw/zinc/77/92/11/440779211.db2.gz WUOBZSQSSMPMJR-JONQDZQNSA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCCn1cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)nn1 ZINC000657463777 441009805 /nfs/dbraw/zinc/00/98/05/441009805.db2.gz PYJPRCUPPZEZFM-AWEZNQCLSA-N 1 1 327.454 0.758 20 30 ECEDMO N#Cc1cccnc1N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000247657122 320542785 /nfs/dbraw/zinc/54/27/85/320542785.db2.gz PVFKCGDRAOKJRP-IRXDYDNUSA-N 1 1 346.431 0.632 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001041736539 782086529 /nfs/dbraw/zinc/08/65/29/782086529.db2.gz TUNIGOZEIJFJST-UKRRQHHQSA-N 1 1 327.450 0.131 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001077992326 782091910 /nfs/dbraw/zinc/09/19/10/782091910.db2.gz VDOCXBCIBCPCBP-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000559449521 322220140 /nfs/dbraw/zinc/22/01/40/322220140.db2.gz GGRFQCQWGIQSCT-CQSZACIVSA-N 1 1 329.404 0.579 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000562444752 322274564 /nfs/dbraw/zinc/27/45/64/322274564.db2.gz UDIGPZUGYASDBI-MRXNPFEDSA-N 1 1 333.436 0.014 20 30 ECEDMO COC(=O)c1ccc(NC2CC[NH+](CC(=O)N(C)C)CC2)c(C#N)n1 ZINC000572378808 322743803 /nfs/dbraw/zinc/74/38/03/322743803.db2.gz RVJGYAKAXADHBG-UHFFFAOYSA-N 1 1 345.403 0.704 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001041742780 782101368 /nfs/dbraw/zinc/10/13/68/782101368.db2.gz DTIWTRVOKRJTCQ-HNNXBMFYSA-N 1 1 340.811 0.215 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001041742780 782101374 /nfs/dbraw/zinc/10/13/74/782101374.db2.gz DTIWTRVOKRJTCQ-HNNXBMFYSA-N 1 1 340.811 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nccs1 ZINC001078017412 782146263 /nfs/dbraw/zinc/14/62/63/782146263.db2.gz HHSWDMXHSVDRQL-STQMWFEESA-N 1 1 334.445 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nccs1 ZINC001078017412 782146269 /nfs/dbraw/zinc/14/62/69/782146269.db2.gz HHSWDMXHSVDRQL-STQMWFEESA-N 1 1 334.445 0.865 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000183925308 528531465 /nfs/dbraw/zinc/53/14/65/528531465.db2.gz AUJSAYGYXSMVEF-UHFFFAOYSA-N 1 1 334.420 0.226 20 30 ECEDMO C=CCC[C@@H](O)C[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000190315738 545907072 /nfs/dbraw/zinc/90/70/72/545907072.db2.gz TXDZXXKZUMLDHF-CQSZACIVSA-N 1 1 339.461 0.783 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)[N@H+](C)C1 ZINC000329020123 546012474 /nfs/dbraw/zinc/01/24/74/546012474.db2.gz HOKGYNONIYODFR-AVGNSLFASA-N 1 1 335.408 0.827 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)[N@@H+](C)C1 ZINC000329020123 546012477 /nfs/dbraw/zinc/01/24/77/546012477.db2.gz HOKGYNONIYODFR-AVGNSLFASA-N 1 1 335.408 0.827 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CSC[C@H]2C(=O)NCC2CC2)[N@H+](C)C1 ZINC000329140753 546015479 /nfs/dbraw/zinc/01/54/79/546015479.db2.gz TVWVQONVUPXXAZ-AVGNSLFASA-N 1 1 327.450 0.974 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CSC[C@H]2C(=O)NCC2CC2)[N@@H+](C)C1 ZINC000329140753 546015481 /nfs/dbraw/zinc/01/54/81/546015481.db2.gz TVWVQONVUPXXAZ-AVGNSLFASA-N 1 1 327.450 0.974 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1CCCO1 ZINC000329239480 546017960 /nfs/dbraw/zinc/01/79/60/546017960.db2.gz QIZIIOOOBIOFMM-CABCVRRESA-N 1 1 339.436 0.835 20 30 ECEDMO CCN1CC[NH+](CCC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000329363603 546020930 /nfs/dbraw/zinc/02/09/30/546020930.db2.gz ZNJAFWCYUSVGRU-CQSZACIVSA-N 1 1 346.497 0.395 20 30 ECEDMO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC000329396336 546021966 /nfs/dbraw/zinc/02/19/66/546021966.db2.gz XLTRLKRRHSLCEM-MRXNPFEDSA-N 1 1 325.501 0.856 20 30 ECEDMO CS(=O)(=O)N[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000329644087 546030149 /nfs/dbraw/zinc/03/01/49/546030149.db2.gz JAKPSTCJSWXOHE-JHJVBQTASA-N 1 1 330.454 0.151 20 30 ECEDMO COCCn1nnc2c1CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000330344532 546043792 /nfs/dbraw/zinc/04/37/92/546043792.db2.gz DAVQOCGFQJGRNN-CHWSQXEVSA-N 1 1 336.440 0.679 20 30 ECEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000619780597 546368573 /nfs/dbraw/zinc/36/85/73/546368573.db2.gz UPNPBKVXWDNWOK-LSDHHAIUSA-N 1 1 328.482 0.434 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(O)(CO)CC1 ZINC000625537504 547141798 /nfs/dbraw/zinc/14/17/98/547141798.db2.gz SELDSIOKYQCHQR-UHFFFAOYSA-N 1 1 328.368 0.105 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)c(OC)c1 ZINC000674464390 548629780 /nfs/dbraw/zinc/62/97/80/548629780.db2.gz BJQPBHMZAVAOAH-XHSDSOJGSA-N 1 1 337.416 0.591 20 30 ECEDMO C=CCCOCCCCC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000678849373 549054362 /nfs/dbraw/zinc/05/43/62/549054362.db2.gz WMZRHIZAANSZGM-UHFFFAOYSA-N 1 1 325.453 0.982 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC001041772827 782171859 /nfs/dbraw/zinc/17/18/59/782171859.db2.gz QBVTYMHATYYMQX-GOSISDBHSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ncccc1F ZINC001078029483 782173694 /nfs/dbraw/zinc/17/36/94/782173694.db2.gz FJJCEMWTJCYZNU-ZFWWWQNUSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ncccc1F ZINC001078029483 782173698 /nfs/dbraw/zinc/17/36/98/782173698.db2.gz FJJCEMWTJCYZNU-ZFWWWQNUSA-N 1 1 346.406 0.943 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)cn1 ZINC001078033314 782181752 /nfs/dbraw/zinc/18/17/52/782181752.db2.gz CJBDQOXNRBYAPI-IAGOWNOFSA-N 1 1 329.400 0.264 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3nc4n(c3=O)CCCC4)C2)C1 ZINC001041778399 782184281 /nfs/dbraw/zinc/18/42/81/782184281.db2.gz XWBZQQUULULRJE-GOSISDBHSA-N 1 1 345.447 0.492 20 30 ECEDMO C[C@H]1CC(=NNC(=S)NCCN2CCOCC2)C[N@@H+]1C1CC1 ZINC000753956603 579409984 /nfs/dbraw/zinc/40/99/84/579409984.db2.gz YZILSQHCMVVXHQ-LBPRGKRZSA-N 1 1 325.482 0.395 20 30 ECEDMO C[C@H]1CC(=NNC(=S)NCCN2CCOCC2)C[N@H+]1C1CC1 ZINC000753956603 579409985 /nfs/dbraw/zinc/40/99/85/579409985.db2.gz YZILSQHCMVVXHQ-LBPRGKRZSA-N 1 1 325.482 0.395 20 30 ECEDMO C#CCOCCC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000755525406 579434775 /nfs/dbraw/zinc/43/47/75/579434775.db2.gz DXROWGZCBPKROR-UHFFFAOYSA-N 1 1 343.427 0.730 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)COc2cccc(C(=O)NC)c2)CC1 ZINC000758955985 579483980 /nfs/dbraw/zinc/48/39/80/579483980.db2.gz ZIZRQNRUCLUFRY-UHFFFAOYSA-N 1 1 329.400 0.593 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCC1 ZINC000759020049 579485166 /nfs/dbraw/zinc/48/51/66/579485166.db2.gz RUESILKKGWRKHC-UONOGXRCSA-N 1 1 327.450 0.853 20 30 ECEDMO C#CC[NH2+]CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000727238623 578157325 /nfs/dbraw/zinc/15/73/25/578157325.db2.gz KBSIWBWBINXLFU-UHFFFAOYSA-N 1 1 338.433 0.164 20 30 ECEDMO C=C(Br)CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000729498453 578296064 /nfs/dbraw/zinc/29/60/64/578296064.db2.gz MYPPOBPOEFQIPU-NSHDSACASA-N 1 1 347.257 0.782 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cnn2ccccc12 ZINC000729635749 578297645 /nfs/dbraw/zinc/29/76/45/578297645.db2.gz KTRHRHLJPHEUHQ-UHFFFAOYSA-N 1 1 346.460 0.855 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000730103778 578303369 /nfs/dbraw/zinc/30/33/69/578303369.db2.gz DBOZTMOJNFQRCN-INIZCTEOSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000730103778 578303370 /nfs/dbraw/zinc/30/33/70/578303370.db2.gz DBOZTMOJNFQRCN-INIZCTEOSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000732967209 578331346 /nfs/dbraw/zinc/33/13/46/578331346.db2.gz KXMJQBGREYMORS-AWEZNQCLSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000732967209 578331347 /nfs/dbraw/zinc/33/13/47/578331347.db2.gz KXMJQBGREYMORS-AWEZNQCLSA-N 1 1 335.354 0.908 20 30 ECEDMO CS(=O)(=O)CCN[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000733203981 578333969 /nfs/dbraw/zinc/33/39/69/578333969.db2.gz FXUCPQHQMCNVKO-UHFFFAOYSA-N 1 1 329.397 0.630 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000798356666 578644566 /nfs/dbraw/zinc/64/45/66/578644566.db2.gz ZPJGGKCYNMBUAQ-KFWWJZLASA-N 1 1 325.453 0.948 20 30 ECEDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000798926522 578654377 /nfs/dbraw/zinc/65/43/77/578654377.db2.gz KTPNAEYGAWHOFL-NSHDSACASA-N 1 1 336.359 0.916 20 30 ECEDMO C[NH+]1CCN(CCCCNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780889748 578702240 /nfs/dbraw/zinc/70/22/40/578702240.db2.gz SUHKUMVJHXNAQU-KRWDZBQOSA-N 1 1 330.432 0.735 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000780983021 578704103 /nfs/dbraw/zinc/70/41/03/578704103.db2.gz CWYXJMLEYGMZLM-IRXDYDNUSA-N 1 1 331.416 0.945 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000781012550 578704455 /nfs/dbraw/zinc/70/44/55/578704455.db2.gz GFDLPCXNVWCCHM-GUYCJALGSA-N 1 1 345.399 0.687 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000781012550 578704457 /nfs/dbraw/zinc/70/44/57/578704457.db2.gz GFDLPCXNVWCCHM-GUYCJALGSA-N 1 1 345.399 0.687 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000787913530 578820600 /nfs/dbraw/zinc/82/06/00/578820600.db2.gz VIRJMEKSJUHLKI-IXDOHACOSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000789358514 578852681 /nfs/dbraw/zinc/85/26/81/578852681.db2.gz SQWATWNHBSHQIA-OAHLLOKOSA-N 1 1 329.466 0.013 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000771454717 579189411 /nfs/dbraw/zinc/18/94/11/579189411.db2.gz CDDSZNATFXXVKJ-AWEZNQCLSA-N 1 1 333.388 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000771454717 579189412 /nfs/dbraw/zinc/18/94/12/579189412.db2.gz CDDSZNATFXXVKJ-AWEZNQCLSA-N 1 1 333.388 0.395 20 30 ECEDMO C#C[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CCCO1 ZINC000772886603 579216366 /nfs/dbraw/zinc/21/63/66/579216366.db2.gz RALRLIPNGHRTSL-JKSUJKDBSA-N 1 1 330.432 0.929 20 30 ECEDMO C#C[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1CCCO1 ZINC000773308979 579224524 /nfs/dbraw/zinc/22/45/24/579224524.db2.gz FOKLTIKGVMSYDU-GJZGRUSLSA-N 1 1 336.436 0.019 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 ZINC000773750446 579233054 /nfs/dbraw/zinc/23/30/54/579233054.db2.gz LRCATADYMZZCLJ-AWEZNQCLSA-N 1 1 335.429 0.356 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 ZINC000773750446 579233055 /nfs/dbraw/zinc/23/30/55/579233055.db2.gz LRCATADYMZZCLJ-AWEZNQCLSA-N 1 1 335.429 0.356 20 30 ECEDMO C#CCN(C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000774177425 579241862 /nfs/dbraw/zinc/24/18/62/579241862.db2.gz IDHSNKMHEPTEBR-GJZGRUSLSA-N 1 1 341.477 0.693 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NC1CCN(C(=O)OCC)CC1)[C@@H]1CCCO1 ZINC000775788985 579271195 /nfs/dbraw/zinc/27/11/95/579271195.db2.gz ADWLHELKWGRDJX-GJZGRUSLSA-N 1 1 337.420 0.494 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)[C@@H]1CCCO1 ZINC000775794372 579271527 /nfs/dbraw/zinc/27/15/27/579271527.db2.gz QGVJFHUQVQEQNI-SJORKVTESA-N 1 1 343.427 0.661 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@@H]1CCCO1 ZINC000776228073 579278288 /nfs/dbraw/zinc/27/82/88/579278288.db2.gz OETGOVSFCJSODP-ULQDDVLXSA-N 1 1 334.464 0.589 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000776593375 579285457 /nfs/dbraw/zinc/28/54/57/579285457.db2.gz USIINSAEHPQHMA-UHFFFAOYSA-N 1 1 345.443 0.961 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000776592794 579285459 /nfs/dbraw/zinc/28/54/59/579285459.db2.gz NCVJKQBNQGLWDY-HNNXBMFYSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCCSCC(C)C)CC1 ZINC000761033340 579519941 /nfs/dbraw/zinc/51/99/41/579519941.db2.gz VCJPEAJOULZKMF-UHFFFAOYSA-N 1 1 333.523 0.851 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)NCC)cc1 ZINC000763801715 579565934 /nfs/dbraw/zinc/56/59/34/579565934.db2.gz BKAGCGQKVSDVNT-INIZCTEOSA-N 1 1 349.456 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)NCC)cc1 ZINC000763801715 579565935 /nfs/dbraw/zinc/56/59/35/579565935.db2.gz BKAGCGQKVSDVNT-INIZCTEOSA-N 1 1 349.456 0.699 20 30 ECEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000739006115 579660969 /nfs/dbraw/zinc/66/09/69/579660969.db2.gz QAAODDHZBIHZIW-UWZWCOGJSA-N 1 1 349.435 0.494 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2)CC1 ZINC000744366325 579808858 /nfs/dbraw/zinc/80/88/58/579808858.db2.gz MXOQJAYBCQESFC-INIZCTEOSA-N 1 1 328.416 0.954 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000835136445 588904905 /nfs/dbraw/zinc/90/49/05/588904905.db2.gz QHXQGFBGAJDLKK-HZPDHXFCSA-N 1 1 342.399 0.785 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000835793467 588917919 /nfs/dbraw/zinc/91/79/19/588917919.db2.gz LRXAARINCVXQLZ-DOMZBBRYSA-N 1 1 345.374 0.939 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCn1cc(Br)cn1 ZINC000804695598 586061335 /nfs/dbraw/zinc/06/13/35/586061335.db2.gz PNEGMFHGPYGNSU-LBPRGKRZSA-N 1 1 325.210 0.859 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCn1cc(Br)cn1 ZINC000804695598 586061337 /nfs/dbraw/zinc/06/13/37/586061337.db2.gz PNEGMFHGPYGNSU-LBPRGKRZSA-N 1 1 325.210 0.859 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000895057305 586158719 /nfs/dbraw/zinc/15/87/19/586158719.db2.gz UPQLMKQPTBQHTQ-ZDUSSCGKSA-N 1 1 332.408 0.015 20 30 ECEDMO CCN1CC[NH+](CCCNC(=O)c2cnn(CCC#N)c2C)CC1 ZINC000895715797 586200591 /nfs/dbraw/zinc/20/05/91/586200591.db2.gz VXPBEFGMCSBQOY-UHFFFAOYSA-N 1 1 332.452 0.863 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000895915985 586212666 /nfs/dbraw/zinc/21/26/66/586212666.db2.gz RNFFSNCBLLDLSG-CYBMUJFWSA-N 1 1 327.475 0.764 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000895919977 586213198 /nfs/dbraw/zinc/21/31/98/586213198.db2.gz YCAKXILVLUWCIO-UHFFFAOYSA-N 1 1 337.445 0.540 20 30 ECEDMO C[C@H](NC(=O)N1CCC2(CC1)CC(=O)C=CO2)[C@@H]1C[N@H+](C)CCO1 ZINC000893764055 586357989 /nfs/dbraw/zinc/35/79/89/586357989.db2.gz HOBKYHLWNURPKW-ZFWWWQNUSA-N 1 1 337.420 0.753 20 30 ECEDMO C[C@H](NC(=O)N1CCC2(CC1)CC(=O)C=CO2)[C@@H]1C[N@@H+](C)CCO1 ZINC000893764055 586357992 /nfs/dbraw/zinc/35/79/92/586357992.db2.gz HOBKYHLWNURPKW-ZFWWWQNUSA-N 1 1 337.420 0.753 20 30 ECEDMO C[C@](N)(C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)c1ccc(Br)cc1 ZINC000841849948 586380272 /nfs/dbraw/zinc/38/02/72/586380272.db2.gz QJXWDSCSKTXMOJ-LJWDBELGSA-N 1 1 337.221 0.851 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000898491929 586428243 /nfs/dbraw/zinc/42/82/43/586428243.db2.gz PEGYIIBHNJECAM-OAHLLOKOSA-N 1 1 332.379 0.838 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1 ZINC000898491929 586428244 /nfs/dbraw/zinc/42/82/44/586428244.db2.gz PEGYIIBHNJECAM-OAHLLOKOSA-N 1 1 332.379 0.838 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000843247950 589055935 /nfs/dbraw/zinc/05/59/35/589055935.db2.gz DKFWHLFIXCEMRH-IRXDYDNUSA-N 1 1 347.459 0.429 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900585318 586647756 /nfs/dbraw/zinc/64/77/56/586647756.db2.gz MOPPGZUEJRIAIO-IAGOWNOFSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C[C@H]([C@@H]3CCCO3)CC2=O)CC1 ZINC000902092522 586720059 /nfs/dbraw/zinc/72/00/59/586720059.db2.gz DYUHQSLQWPVAIJ-CVEARBPZSA-N 1 1 333.432 0.433 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1=O ZINC000902649630 586753055 /nfs/dbraw/zinc/75/30/55/586753055.db2.gz AQOSZFHFYSIMQB-KBPBESRZSA-N 1 1 332.404 0.376 20 30 ECEDMO C#CCC1(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CCOCC1 ZINC000888383813 586775719 /nfs/dbraw/zinc/77/57/19/586775719.db2.gz FZXQVJUIBFIPAG-MRXNPFEDSA-N 1 1 336.480 0.742 20 30 ECEDMO COCC[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000903576887 586793212 /nfs/dbraw/zinc/79/32/12/586793212.db2.gz XQVYZUFCDYXONG-INIZCTEOSA-N 1 1 337.445 0.893 20 30 ECEDMO COC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000903602916 586795640 /nfs/dbraw/zinc/79/56/40/586795640.db2.gz WBBYAPJDMAFZCX-SNVBAGLBSA-N 1 1 329.809 0.821 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000838622359 586818829 /nfs/dbraw/zinc/81/88/29/586818829.db2.gz GRCUWXRMNKVONC-QGZVFWFLSA-N 1 1 344.459 0.940 20 30 ECEDMO N#Cc1c2c(cn(C[N@H+]3C[C@@H]4CCC[C@]4(C(N)=O)C3)c1=O)CCC2 ZINC000904440383 586838188 /nfs/dbraw/zinc/83/81/88/586838188.db2.gz YKTSEUGCMXWGNQ-UGSOOPFHSA-N 1 1 326.400 0.754 20 30 ECEDMO N#Cc1c2c(cn(C[N@@H+]3C[C@@H]4CCC[C@]4(C(N)=O)C3)c1=O)CCC2 ZINC000904440383 586838190 /nfs/dbraw/zinc/83/81/90/586838190.db2.gz YKTSEUGCMXWGNQ-UGSOOPFHSA-N 1 1 326.400 0.754 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1 ZINC000839170642 586840276 /nfs/dbraw/zinc/84/02/76/586840276.db2.gz QOIVRZQQAZAZQG-ZOBUZTSGSA-N 1 1 331.416 0.915 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](O)[C@H](CO)C2)cc1 ZINC000839170642 586840278 /nfs/dbraw/zinc/84/02/78/586840278.db2.gz QOIVRZQQAZAZQG-ZOBUZTSGSA-N 1 1 331.416 0.915 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000867327619 589069645 /nfs/dbraw/zinc/06/96/45/589069645.db2.gz OGOHVRJRXDWDGY-AWEZNQCLSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000867327619 589069646 /nfs/dbraw/zinc/06/96/46/589069646.db2.gz OGOHVRJRXDWDGY-AWEZNQCLSA-N 1 1 341.408 0.822 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1)C1CCCC1 ZINC000839360951 586853041 /nfs/dbraw/zinc/85/30/41/586853041.db2.gz UCASMSOSIKCTBJ-UHFFFAOYSA-N 1 1 335.448 0.306 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C1CCCC1 ZINC000839360951 586853043 /nfs/dbraw/zinc/85/30/43/586853043.db2.gz UCASMSOSIKCTBJ-UHFFFAOYSA-N 1 1 335.448 0.306 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCO[C@@H](C)C#N)C1 ZINC000801916800 587005924 /nfs/dbraw/zinc/00/59/24/587005924.db2.gz FMYIJOSROPQONH-UONOGXRCSA-N 1 1 325.409 0.649 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCO[C@@H](C)C#N)C1 ZINC000801916800 587005927 /nfs/dbraw/zinc/00/59/27/587005927.db2.gz FMYIJOSROPQONH-UONOGXRCSA-N 1 1 325.409 0.649 20 30 ECEDMO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000801939522 587006282 /nfs/dbraw/zinc/00/62/82/587006282.db2.gz PVJQONJGYZHKKM-ZIAGYGMSSA-N 1 1 331.438 0.041 20 30 ECEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000801939522 587006285 /nfs/dbraw/zinc/00/62/85/587006285.db2.gz PVJQONJGYZHKKM-ZIAGYGMSSA-N 1 1 331.438 0.041 20 30 ECEDMO C=CCN1CCN(C[NH+]2CCC(C(=O)NCCCOC)CC2)C1=O ZINC000839969920 587021719 /nfs/dbraw/zinc/02/17/19/587021719.db2.gz KULONHNFGMFIIA-UHFFFAOYSA-N 1 1 338.452 0.732 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000907293178 587033561 /nfs/dbraw/zinc/03/35/61/587033561.db2.gz CYHBNBRWSCUKSE-INIZCTEOSA-N 1 1 334.441 0.888 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000907382341 587038787 /nfs/dbraw/zinc/03/87/87/587038787.db2.gz HCGFDRLHEUROIY-PBHICJAKSA-N 1 1 329.404 0.057 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000809313131 587175083 /nfs/dbraw/zinc/17/50/83/587175083.db2.gz QXAZIOKMQLILTD-FZKCQIBNSA-N 1 1 335.448 0.615 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000809363682 587176539 /nfs/dbraw/zinc/17/65/39/587176539.db2.gz XNBPFARCMXSLER-NXEZZACHSA-N 1 1 330.226 0.753 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H](O)c3ccc(C#N)cc3)[C@H]2C1 ZINC000818033625 587398181 /nfs/dbraw/zinc/39/81/81/587398181.db2.gz KKVOXXKKZZFDLO-GVDBMIGSSA-N 1 1 329.400 0.913 20 30 ECEDMO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@@H](C)C#N)CC2)cc1 ZINC000819046936 587465811 /nfs/dbraw/zinc/46/58/11/587465811.db2.gz FXSRZYLFZOXSRK-RDJZCZTQSA-N 1 1 332.448 0.927 20 30 ECEDMO CCS(=O)(=O)CC[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000819260123 587474454 /nfs/dbraw/zinc/47/44/54/587474454.db2.gz OMCANJAMNIPTDK-HNNXBMFYSA-N 1 1 335.429 0.683 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC(C[NH+]2CCOCC2)C1 ZINC000820249476 587520493 /nfs/dbraw/zinc/52/04/93/587520493.db2.gz NPPMQBBEAKIBBX-UHFFFAOYSA-N 1 1 328.368 0.557 20 30 ECEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=NOC)c2csc(N)n2)C1 ZINC000820402198 587532629 /nfs/dbraw/zinc/53/26/29/587532629.db2.gz JAJWUQZISVGFHB-JTQLQIEISA-N 1 1 325.438 0.876 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000823187488 587708605 /nfs/dbraw/zinc/70/86/05/587708605.db2.gz HAQRBZKBZNFIRV-MNOVXSKESA-N 1 1 340.367 0.281 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000823187488 587708606 /nfs/dbraw/zinc/70/86/06/587708606.db2.gz HAQRBZKBZNFIRV-MNOVXSKESA-N 1 1 340.367 0.281 20 30 ECEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@](C)(O)C(=O)OC ZINC000823915364 587844274 /nfs/dbraw/zinc/84/42/74/587844274.db2.gz WBFXOCPVBTZGFH-MRXNPFEDSA-N 1 1 331.376 0.779 20 30 ECEDMO C#CC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000826079398 587988745 /nfs/dbraw/zinc/98/87/45/587988745.db2.gz GDFUYRJEXZDEII-INIZCTEOSA-N 1 1 334.464 0.984 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000827436879 588120435 /nfs/dbraw/zinc/12/04/35/588120435.db2.gz YOQAPMLQHYMRIG-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO CC#CCS(=O)(=O)c1cccc(C(=O)NCC[N@H+](C)CCO)c1 ZINC000829750579 588339636 /nfs/dbraw/zinc/33/96/36/588339636.db2.gz SCKVYKFVQDXOEK-UHFFFAOYSA-N 1 1 338.429 0.138 20 30 ECEDMO CC#CCS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)CCO)c1 ZINC000829750579 588339638 /nfs/dbraw/zinc/33/96/38/588339638.db2.gz SCKVYKFVQDXOEK-UHFFFAOYSA-N 1 1 338.429 0.138 20 30 ECEDMO C#CC[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000829793471 588342433 /nfs/dbraw/zinc/34/24/33/588342433.db2.gz FYPFFVWLSKWJSH-NSHDSACASA-N 1 1 330.388 0.784 20 30 ECEDMO C#CC[C@H]1CCC[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000829793471 588342434 /nfs/dbraw/zinc/34/24/34/588342434.db2.gz FYPFFVWLSKWJSH-NSHDSACASA-N 1 1 330.388 0.784 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369178 589109243 /nfs/dbraw/zinc/10/92/43/589109243.db2.gz VYJHZDXKJRSIDR-WFASDCNBSA-N 1 1 330.388 0.924 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369178 589109245 /nfs/dbraw/zinc/10/92/45/589109245.db2.gz VYJHZDXKJRSIDR-WFASDCNBSA-N 1 1 330.388 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 ZINC000846123271 589185845 /nfs/dbraw/zinc/18/58/45/589185845.db2.gz FOGQXEGYFSOOKO-YOEHRIQHSA-N 1 1 330.432 0.255 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 ZINC000846123271 589185847 /nfs/dbraw/zinc/18/58/47/589185847.db2.gz FOGQXEGYFSOOKO-YOEHRIQHSA-N 1 1 330.432 0.255 20 30 ECEDMO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000846335157 589196957 /nfs/dbraw/zinc/19/69/57/589196957.db2.gz GHOVVCOOSPGCTB-IRXDYDNUSA-N 1 1 328.416 0.440 20 30 ECEDMO C#C[C@@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000847382816 589245205 /nfs/dbraw/zinc/24/52/05/589245205.db2.gz CXYLESFCBFKBRW-MRXNPFEDSA-N 1 1 335.448 0.923 20 30 ECEDMO C#C[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C1CCOCC1 ZINC000851956992 589434196 /nfs/dbraw/zinc/43/41/96/589434196.db2.gz IZWGVBURWPWBCE-KRWDZBQOSA-N 1 1 336.480 0.742 20 30 ECEDMO C#CCOCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000853984721 589566953 /nfs/dbraw/zinc/56/69/53/589566953.db2.gz SZZKNOSUTWRMTM-KRWDZBQOSA-N 1 1 331.416 0.702 20 30 ECEDMO C[NH+]1CCN(CC2CN(C(=O)COc3cccc(C#N)c3)C2)CC1 ZINC000854643041 589597836 /nfs/dbraw/zinc/59/78/36/589597836.db2.gz QCSAILXKDPEAPL-UHFFFAOYSA-N 1 1 328.416 0.643 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000854664433 589598735 /nfs/dbraw/zinc/59/87/35/589598735.db2.gz UMTJIMYZHGHCDD-MRXNPFEDSA-N 1 1 336.457 0.886 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000854664433 589598737 /nfs/dbraw/zinc/59/87/37/589598737.db2.gz UMTJIMYZHGHCDD-MRXNPFEDSA-N 1 1 336.457 0.886 20 30 ECEDMO CCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@@H+](CC)C1 ZINC000855492198 589633569 /nfs/dbraw/zinc/63/35/69/589633569.db2.gz WVKFOEBAKOMRHV-WPCFGXOUSA-N 1 1 334.420 0.846 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000856327772 589660350 /nfs/dbraw/zinc/66/03/50/589660350.db2.gz DSBQMROPMWPVIL-SFHVURJKSA-N 1 1 329.444 0.959 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000856327772 589660351 /nfs/dbraw/zinc/66/03/51/589660351.db2.gz DSBQMROPMWPVIL-SFHVURJKSA-N 1 1 329.444 0.959 20 30 ECEDMO C#CCCN(CCOC)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000856391082 589662711 /nfs/dbraw/zinc/66/27/11/589662711.db2.gz NAHWWLUYKYXLFM-DLBZAZTESA-N 1 1 332.448 0.954 20 30 ECEDMO C#CCNC(=O)CN1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856595988 589668060 /nfs/dbraw/zinc/66/80/60/589668060.db2.gz OSPOOPMAZNRVQY-QGZVFWFLSA-N 1 1 330.432 0.736 20 30 ECEDMO Cn1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)c(Cl)n1 ZINC000857205480 589689526 /nfs/dbraw/zinc/68/95/26/589689526.db2.gz AYSBBCFRDFJEDB-UHFFFAOYSA-N 1 1 344.872 0.594 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000857864790 589714396 /nfs/dbraw/zinc/71/43/96/589714396.db2.gz HYAIKWUDKVQJPJ-MRXNPFEDSA-N 1 1 328.416 0.954 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000859034513 589794690 /nfs/dbraw/zinc/79/46/90/589794690.db2.gz PILLUEMHPBGVLD-KGLIPLIRSA-N 1 1 325.409 0.304 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000859034513 589794693 /nfs/dbraw/zinc/79/46/93/589794693.db2.gz PILLUEMHPBGVLD-KGLIPLIRSA-N 1 1 325.409 0.304 20 30 ECEDMO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1nnnn1C1CC1 ZINC000859276590 589815300 /nfs/dbraw/zinc/81/53/00/589815300.db2.gz ITWUDMFWRBJAQE-SMDDNHRTSA-N 1 1 328.376 0.970 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000859439051 589838442 /nfs/dbraw/zinc/83/84/42/589838442.db2.gz SZWHLQAHFPOOHJ-MRXNPFEDSA-N 1 1 335.448 0.618 20 30 ECEDMO CCN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000867946527 589864572 /nfs/dbraw/zinc/86/45/72/589864572.db2.gz HPSQLVWIJWZMMH-HOCLYGCPSA-N 1 1 347.440 0.781 20 30 ECEDMO CCN1CCC[C@@H]1CNC(NC[C@@H](O)C(F)(F)F)=[NH+]CCOC ZINC000864236402 590061651 /nfs/dbraw/zinc/06/16/51/590061651.db2.gz JLVZQSDAYUOIEO-VXGBXAGGSA-N 1 1 340.390 0.576 20 30 ECEDMO C=C(Cl)C[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000865301796 590138097 /nfs/dbraw/zinc/13/80/97/590138097.db2.gz PGRWOVCTXNLBDN-NEPJUHHUSA-N 1 1 342.827 0.637 20 30 ECEDMO CN(C(=O)[C@@]1(C#N)CCCOC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000865728816 590155814 /nfs/dbraw/zinc/15/58/14/590155814.db2.gz YZADOQQPOXNQPT-FUHWJXTLSA-N 1 1 334.464 0.934 20 30 ECEDMO CN(C(=O)[C@@]1(C#N)CCCOC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000865728816 590155815 /nfs/dbraw/zinc/15/58/15/590155815.db2.gz YZADOQQPOXNQPT-FUHWJXTLSA-N 1 1 334.464 0.934 20 30 ECEDMO C[N@H+]1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000872926047 590174939 /nfs/dbraw/zinc/17/49/39/590174939.db2.gz BGPAZLTXMGNJNF-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000872927233 590175105 /nfs/dbraw/zinc/17/51/05/590175105.db2.gz PZHSTHLZKHIMLE-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC[C@@H]21 ZINC000874172494 590224241 /nfs/dbraw/zinc/22/42/41/590224241.db2.gz JJDLERXUKPOMSH-STQMWFEESA-N 1 1 330.392 0.288 20 30 ECEDMO CON=C(C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1csc(N)n1 ZINC000874243633 590228039 /nfs/dbraw/zinc/22/80/39/590228039.db2.gz MAPNKLYHGLGBAB-SNVBAGLBSA-N 1 1 325.438 0.922 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)n(CCC#N)n1 ZINC000874365482 590234894 /nfs/dbraw/zinc/23/48/94/590234894.db2.gz CMTLBLYULDHLSH-UONOGXRCSA-N 1 1 344.419 0.739 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000875207353 590281754 /nfs/dbraw/zinc/28/17/54/590281754.db2.gz XKGBWGWOTHJFMS-NVXWUHKLSA-N 1 1 345.443 0.778 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000875217330 590283272 /nfs/dbraw/zinc/28/32/72/590283272.db2.gz ZLRLCRXSLIBMDM-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875385627 590298330 /nfs/dbraw/zinc/29/83/30/590298330.db2.gz DAUKZZOGQNPJEH-WCVJEAGWSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000875445008 590302695 /nfs/dbraw/zinc/30/26/95/590302695.db2.gz QQASKCOGFVXUJS-OAGGEKHMSA-N 1 1 335.448 0.664 20 30 ECEDMO C#C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C1CCOCC1 ZINC000875746700 590327852 /nfs/dbraw/zinc/32/78/52/590327852.db2.gz CKGDNJPPSUEWDH-CABCVRRESA-N 1 1 336.436 0.054 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000875925370 590347024 /nfs/dbraw/zinc/34/70/24/590347024.db2.gz QFUDUYOOKYHECV-WBVHZDCISA-N 1 1 336.480 0.835 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000875925370 590347026 /nfs/dbraw/zinc/34/70/26/590347026.db2.gz QFUDUYOOKYHECV-WBVHZDCISA-N 1 1 336.480 0.835 20 30 ECEDMO COCCCNC(=O)CN(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876569926 590387538 /nfs/dbraw/zinc/38/75/38/590387538.db2.gz ZQKGACCSHNZEHV-QGZVFWFLSA-N 1 1 344.415 0.356 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000880480092 590395107 /nfs/dbraw/zinc/39/51/07/590395107.db2.gz JPURPYIBUZBELL-INIZCTEOSA-N 1 1 328.412 0.957 20 30 ECEDMO C#CCN1CCN(C(=O)CN(C)CCCC[NH+]2CCCCC2)CC1 ZINC000880517205 590399164 /nfs/dbraw/zinc/39/91/64/590399164.db2.gz MEHBZMAOUQHHIT-UHFFFAOYSA-N 1 1 334.508 0.962 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC1CCS(=O)(=O)CC1 ZINC000876881427 590422118 /nfs/dbraw/zinc/42/21/18/590422118.db2.gz YXOLBBGLXYSYEL-INIZCTEOSA-N 1 1 347.440 0.686 20 30 ECEDMO N#Cc1ccc([C@@H](O)Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)cc1 ZINC000881407608 590452824 /nfs/dbraw/zinc/45/28/24/590452824.db2.gz QYTZWMMCZQFWPZ-SJORKVTESA-N 1 1 327.388 0.840 20 30 ECEDMO N#Cc1ccc([C@@H](O)Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)cc1 ZINC000881407608 590452825 /nfs/dbraw/zinc/45/28/25/590452825.db2.gz QYTZWMMCZQFWPZ-SJORKVTESA-N 1 1 327.388 0.840 20 30 ECEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000878677230 590534969 /nfs/dbraw/zinc/53/49/69/590534969.db2.gz DGUJEZIGZJKKNX-RVKKMQEKSA-N 1 1 325.368 0.631 20 30 ECEDMO C[N@@H+](C[C@H](O)CC1(O)CCOCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000878800904 590543379 /nfs/dbraw/zinc/54/33/79/590543379.db2.gz IZSOSSSWFMNRTJ-IAGOWNOFSA-N 1 1 334.416 0.816 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 ZINC000878924139 590552057 /nfs/dbraw/zinc/55/20/57/590552057.db2.gz JTVNKECTYGVKAP-UHFFFAOYSA-N 1 1 344.415 0.376 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCCCCCNC(=O)CC2)CC1 ZINC000879254036 590574041 /nfs/dbraw/zinc/57/40/41/590574041.db2.gz KRUQEELYBFMHRB-UHFFFAOYSA-N 1 1 334.464 0.146 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1 ZINC000879271908 590575924 /nfs/dbraw/zinc/57/59/24/590575924.db2.gz ZUMUCRHOWNIILM-HOTGVXAUSA-N 1 1 328.416 0.630 20 30 ECEDMO CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000879335886 590579678 /nfs/dbraw/zinc/57/96/78/590579678.db2.gz XQHMJYZKSWYUPB-MRXNPFEDSA-N 1 1 343.431 0.958 20 30 ECEDMO CNC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000879335886 590579680 /nfs/dbraw/zinc/57/96/80/590579680.db2.gz XQHMJYZKSWYUPB-MRXNPFEDSA-N 1 1 343.431 0.958 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000136254421 590771264 /nfs/dbraw/zinc/77/12/64/590771264.db2.gz CXXFLHOQVFDRRH-HNNXBMFYSA-N 1 1 330.384 0.994 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000884220560 590780590 /nfs/dbraw/zinc/78/05/90/590780590.db2.gz WQDONZRTYXRXFM-RRFJBIMHSA-N 1 1 339.436 0.193 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2COC3(CCOCC3)O2)C1 ZINC000884258758 590790629 /nfs/dbraw/zinc/79/06/29/590790629.db2.gz CWHZFPBFHKETKX-HUUCEWRRSA-N 1 1 337.420 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2COC3(CCOCC3)O2)C1 ZINC000884258758 590790631 /nfs/dbraw/zinc/79/06/31/590790631.db2.gz CWHZFPBFHKETKX-HUUCEWRRSA-N 1 1 337.420 0.305 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCOC[C@@H]2OCCOC)C1 ZINC000884277895 590794904 /nfs/dbraw/zinc/79/49/04/590794904.db2.gz XYORBOYLTNYALU-JYJNAYRXSA-N 1 1 339.436 0.204 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCOC[C@@H]2OCCOC)C1 ZINC000884277895 590794909 /nfs/dbraw/zinc/79/49/09/590794909.db2.gz XYORBOYLTNYALU-JYJNAYRXSA-N 1 1 339.436 0.204 20 30 ECEDMO COCc1noc(CN2CC[NH+](C[C@@H](O)CC3(C#N)CCC3)CC2)n1 ZINC000886158012 590798574 /nfs/dbraw/zinc/79/85/74/590798574.db2.gz POSJSZKMEGERPQ-AWEZNQCLSA-N 1 1 349.435 0.778 20 30 ECEDMO C[C@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000886203791 590812112 /nfs/dbraw/zinc/81/21/12/590812112.db2.gz HTELHKNDELNROP-UTGUJQJDSA-N 1 1 339.461 0.644 20 30 ECEDMO C[C@@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000886203790 590812148 /nfs/dbraw/zinc/81/21/48/590812148.db2.gz HTELHKNDELNROP-OJKRMQCYSA-N 1 1 339.461 0.644 20 30 ECEDMO C[C@@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000886203790 590812150 /nfs/dbraw/zinc/81/21/50/590812150.db2.gz HTELHKNDELNROP-OJKRMQCYSA-N 1 1 339.461 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCO[C@](C)(C(=O)OCC)C2)C1 ZINC000890361747 591150969 /nfs/dbraw/zinc/15/09/69/591150969.db2.gz YXUNCNVMCLYVPK-YOEHRIQHSA-N 1 1 337.420 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@](C)(C(=O)OCC)C2)C1 ZINC000890361747 591150972 /nfs/dbraw/zinc/15/09/72/591150972.db2.gz YXUNCNVMCLYVPK-YOEHRIQHSA-N 1 1 337.420 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](O)COc2ccccc2)C1 ZINC000890377030 591155719 /nfs/dbraw/zinc/15/57/19/591155719.db2.gz FVPZAUBURKPRDV-HZPDHXFCSA-N 1 1 331.416 0.823 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](O)COc2ccccc2)C1 ZINC000890377030 591155720 /nfs/dbraw/zinc/15/57/20/591155720.db2.gz FVPZAUBURKPRDV-HZPDHXFCSA-N 1 1 331.416 0.823 20 30 ECEDMO N#CCN1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597920 611359661 /nfs/dbraw/zinc/35/96/61/611359661.db2.gz PYKMCXQGRQMVEM-YYIAUSFCSA-N 1 1 332.448 0.544 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946612695 611363770 /nfs/dbraw/zinc/36/37/70/611363770.db2.gz SFSFSXMNVMRTAD-SOUVJXGZSA-N 1 1 331.416 0.328 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)CC[C@@H]2C1 ZINC000946664033 611400922 /nfs/dbraw/zinc/40/09/22/611400922.db2.gz GXWPLBCRNOHNLZ-OKILXGFUSA-N 1 1 328.416 0.541 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946667639 611403687 /nfs/dbraw/zinc/40/36/87/611403687.db2.gz DQTIMNXKPIPMCF-XHSDSOJGSA-N 1 1 338.473 0.615 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC[C@@H]2C1 ZINC000946668103 611403723 /nfs/dbraw/zinc/40/37/23/611403723.db2.gz POQQVOCJVWRQFE-IXDOHACOSA-N 1 1 346.475 0.971 20 30 ECEDMO C=C(Cl)C[C@@H]1NC(=O)N(C2CC[NH+](CC(=O)NC)CC2)C1=O ZINC000924891949 611438289 /nfs/dbraw/zinc/43/82/89/611438289.db2.gz STFOESMDDYOWOV-NSHDSACASA-N 1 1 328.800 0.260 20 30 ECEDMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2CC1 ZINC000946746895 611448931 /nfs/dbraw/zinc/44/89/31/611448931.db2.gz JCEMJXYUNVBDTJ-CALCHBBNSA-N 1 1 325.412 0.694 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000187394824 611450196 /nfs/dbraw/zinc/45/01/96/611450196.db2.gz VZNTXTUXQHSIER-OAHLLOKOSA-N 1 1 342.443 0.749 20 30 ECEDMO C=CCN1CC(=O)N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1=O ZINC000925347377 611473616 /nfs/dbraw/zinc/47/36/16/611473616.db2.gz XOFABUAVEFBAKY-PBWFPOADSA-N 1 1 334.420 0.520 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1=O ZINC000925371830 611475831 /nfs/dbraw/zinc/47/58/31/611475831.db2.gz QUTBIZKQZPDGJV-IRXDYDNUSA-N 1 1 340.427 0.746 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1=O ZINC000925371830 611475832 /nfs/dbraw/zinc/47/58/32/611475832.db2.gz QUTBIZKQZPDGJV-IRXDYDNUSA-N 1 1 340.427 0.746 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC[N@H+]1C ZINC000925332746 611470791 /nfs/dbraw/zinc/47/07/91/611470791.db2.gz WXBFAMFDDBNSQP-MJBXVCDLSA-N 1 1 343.435 0.661 20 30 ECEDMO N#Cc1sccc1N1CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000930929858 611483602 /nfs/dbraw/zinc/48/36/02/611483602.db2.gz ZWZLROQLQOUNCD-XJKSGUPXSA-N 1 1 337.445 0.644 20 30 ECEDMO COC1(OC)CCOC[C@@H]1[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000931667563 611563940 /nfs/dbraw/zinc/56/39/40/611563940.db2.gz LTDZGKDVTWKKRX-VNHYZAJKSA-N 1 1 327.425 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1C ZINC000947505149 611571408 /nfs/dbraw/zinc/57/14/08/611571408.db2.gz DZGMKVOOUNDEQV-BMFZPTHFSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1C ZINC000947505149 611571411 /nfs/dbraw/zinc/57/14/11/611571411.db2.gz DZGMKVOOUNDEQV-BMFZPTHFSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C[C@@H]1C ZINC000947548393 611591639 /nfs/dbraw/zinc/59/16/39/611591639.db2.gz ZCMKNEDDTHNOLC-LSDHHAIUSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)C1 ZINC000924036500 608601137 /nfs/dbraw/zinc/60/11/37/608601137.db2.gz HVZDRHUDASDMKE-PNBKFKSVSA-N 1 1 348.447 0.209 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)C1 ZINC000924036500 608601140 /nfs/dbraw/zinc/60/11/40/608601140.db2.gz HVZDRHUDASDMKE-PNBKFKSVSA-N 1 1 348.447 0.209 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC000937350082 608609231 /nfs/dbraw/zinc/60/92/31/608609231.db2.gz PBMLCLRFPXIDHN-FVQBIDKESA-N 1 1 333.432 0.178 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC000937350082 608609234 /nfs/dbraw/zinc/60/92/34/608609234.db2.gz PBMLCLRFPXIDHN-FVQBIDKESA-N 1 1 333.432 0.178 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC000949391802 608666330 /nfs/dbraw/zinc/66/63/30/608666330.db2.gz XTANSZCNALYJDG-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC000949391802 608666331 /nfs/dbraw/zinc/66/63/31/608666331.db2.gz XTANSZCNALYJDG-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2ccc(C(N)=O)nc2)CC1 ZINC000948547124 611647861 /nfs/dbraw/zinc/64/78/61/611647861.db2.gz QUCYRSKVJGISIJ-HNNXBMFYSA-N 1 1 328.416 0.669 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000947453667 608742621 /nfs/dbraw/zinc/74/26/21/608742621.db2.gz OWORMJZVHVLKDH-UHFFFAOYSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C ZINC000947496831 608814101 /nfs/dbraw/zinc/81/41/01/608814101.db2.gz DLKRQWFIVJVNSZ-GHMZBOCLSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000936595245 608843785 /nfs/dbraw/zinc/84/37/85/608843785.db2.gz MONSMVLYKREEKS-HOCLYGCPSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000936595245 608843788 /nfs/dbraw/zinc/84/37/88/608843788.db2.gz MONSMVLYKREEKS-HOCLYGCPSA-N 1 1 328.416 0.785 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000937064733 608946677 /nfs/dbraw/zinc/94/66/77/608946677.db2.gz JGOPERWVBZXYGX-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CCCN(CC#N)CC1 ZINC000948631165 611672631 /nfs/dbraw/zinc/67/26/31/611672631.db2.gz LRZVRMKHHSBYDS-BNQMIIOLSA-N 1 1 332.448 0.686 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC000947821327 608954627 /nfs/dbraw/zinc/95/46/27/608954627.db2.gz SSORJUSHTKDTNV-MNOVXSKESA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC000947821327 608954628 /nfs/dbraw/zinc/95/46/28/608954628.db2.gz SSORJUSHTKDTNV-MNOVXSKESA-N 1 1 328.800 0.260 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947218166 608969793 /nfs/dbraw/zinc/96/97/93/608969793.db2.gz XLKIIYDITVDDPX-WCQYABFASA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cccc(C)n2)C1 ZINC000937694886 609013015 /nfs/dbraw/zinc/01/30/15/609013015.db2.gz UEQHPFBWTFFUAV-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cccc(C)n2)C1 ZINC000937694886 609013019 /nfs/dbraw/zinc/01/30/19/609013019.db2.gz UEQHPFBWTFFUAV-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000937777868 609070354 /nfs/dbraw/zinc/07/03/54/609070354.db2.gz HVHSNPTUZVYIRY-IRXDYDNUSA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000937777868 609070356 /nfs/dbraw/zinc/07/03/56/609070356.db2.gz HVHSNPTUZVYIRY-IRXDYDNUSA-N 1 1 341.411 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000936385530 609109929 /nfs/dbraw/zinc/10/99/29/609109929.db2.gz CEBYELJJBFGKSG-WBVHZDCISA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000936385530 609109931 /nfs/dbraw/zinc/10/99/31/609109931.db2.gz CEBYELJJBFGKSG-WBVHZDCISA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000937922807 609391114 /nfs/dbraw/zinc/39/11/14/609391114.db2.gz HIOWBFAZNKNXFQ-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000937922807 609391116 /nfs/dbraw/zinc/39/11/16/609391116.db2.gz HIOWBFAZNKNXFQ-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000937971096 609442889 /nfs/dbraw/zinc/44/28/89/609442889.db2.gz PFEPDOMDNCPYPR-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CCC(O)CC2)C1 ZINC000938170077 609481225 /nfs/dbraw/zinc/48/12/25/609481225.db2.gz CXDIOZADPANAJC-XGHPGWEVSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CCC(O)CC2)C1 ZINC000938170077 609481228 /nfs/dbraw/zinc/48/12/28/609481228.db2.gz CXDIOZADPANAJC-XGHPGWEVSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(C)nc2C)C1 ZINC000938170538 609482146 /nfs/dbraw/zinc/48/21/46/609482146.db2.gz JUXKYZHIMGGNBK-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(C)nc2C)C1 ZINC000938170538 609482149 /nfs/dbraw/zinc/48/21/49/609482149.db2.gz JUXKYZHIMGGNBK-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC2CCOCC2)C1 ZINC000938171093 609483264 /nfs/dbraw/zinc/48/32/64/609483264.db2.gz WQCOXLDNJMUYTM-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC2CCOCC2)C1 ZINC000938171093 609483265 /nfs/dbraw/zinc/48/32/65/609483265.db2.gz WQCOXLDNJMUYTM-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncs2)C1 ZINC000938171858 609484423 /nfs/dbraw/zinc/48/44/23/609484423.db2.gz MVQBAWGRNILTHP-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncs2)C1 ZINC000938171858 609484425 /nfs/dbraw/zinc/48/44/25/609484425.db2.gz MVQBAWGRNILTHP-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO N#CCC1(CS(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000908015084 609637983 /nfs/dbraw/zinc/63/79/83/609637983.db2.gz MXWFTNXAPMXDSO-KGLIPLIRSA-N 1 1 327.450 0.541 20 30 ECEDMO C=CCn1c([C@H]2CNC(=O)C2)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000908692371 609657709 /nfs/dbraw/zinc/65/77/09/609657709.db2.gz SKOJTBRDUIRYRX-XNJGSVPQSA-N 1 1 330.436 0.456 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000920012009 609669640 /nfs/dbraw/zinc/66/96/40/609669640.db2.gz ZFAJBCHINFTJNE-UKRRQHHQSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000920012009 609669641 /nfs/dbraw/zinc/66/96/41/609669641.db2.gz ZFAJBCHINFTJNE-UKRRQHHQSA-N 1 1 336.461 0.779 20 30 ECEDMO C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000920001568 609670208 /nfs/dbraw/zinc/67/02/08/609670208.db2.gz UZIXEWWNZXQAMY-KBPBESRZSA-N 1 1 328.482 0.624 20 30 ECEDMO C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920001568 609670209 /nfs/dbraw/zinc/67/02/09/609670209.db2.gz UZIXEWWNZXQAMY-KBPBESRZSA-N 1 1 328.482 0.624 20 30 ECEDMO C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000920017278 609670934 /nfs/dbraw/zinc/67/09/34/609670934.db2.gz ATUCGUBUTMOBGS-BBRMVZONSA-N 1 1 336.461 0.612 20 30 ECEDMO C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920017278 609670936 /nfs/dbraw/zinc/67/09/36/609670936.db2.gz ATUCGUBUTMOBGS-BBRMVZONSA-N 1 1 336.461 0.612 20 30 ECEDMO CCC[N@@H+](CC)CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000921185250 609699547 /nfs/dbraw/zinc/69/95/47/609699547.db2.gz CKYCRTVBTCRDMZ-HIFRSBDPSA-N 1 1 342.465 0.298 20 30 ECEDMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCC#CCO)C1 ZINC000923762463 609700882 /nfs/dbraw/zinc/70/08/82/609700882.db2.gz GVPUCCNALPSOQS-QGZVFWFLSA-N 1 1 330.432 0.098 20 30 ECEDMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NCC#CCO)C1 ZINC000923762463 609700884 /nfs/dbraw/zinc/70/08/84/609700884.db2.gz GVPUCCNALPSOQS-QGZVFWFLSA-N 1 1 330.432 0.098 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921322488 609703232 /nfs/dbraw/zinc/70/32/32/609703232.db2.gz SZBMMRYMQHRXNN-RDBSUJKOSA-N 1 1 346.522 0.882 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921322488 609703233 /nfs/dbraw/zinc/70/32/33/609703233.db2.gz SZBMMRYMQHRXNN-RDBSUJKOSA-N 1 1 346.522 0.882 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000938493196 609817560 /nfs/dbraw/zinc/81/75/60/609817560.db2.gz RHYAOAJCLQSLTI-QEJZJMRPSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000915854820 609924805 /nfs/dbraw/zinc/92/48/05/609924805.db2.gz VDNOILCRESRKGU-BXUZGUMPSA-N 1 1 343.474 0.836 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000919044179 610029529 /nfs/dbraw/zinc/02/95/29/610029529.db2.gz MFTYDJIJOBMQBF-XHSDSOJGSA-N 1 1 325.453 0.807 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC000938967128 610058305 /nfs/dbraw/zinc/05/83/05/610058305.db2.gz QFFIOYBBGBFSIU-RDJZCZTQSA-N 1 1 340.427 0.830 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000939697955 610089597 /nfs/dbraw/zinc/08/95/97/610089597.db2.gz FKPJFNWNHSBEDH-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cn(CC)nn3)[C@@H](C)C2)nn1 ZINC000939277385 610146600 /nfs/dbraw/zinc/14/66/00/610146600.db2.gz OXEAJFKPAJTXGM-JSGCOSHPSA-N 1 1 344.423 0.326 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939934551 610171000 /nfs/dbraw/zinc/17/10/00/610171000.db2.gz UWNYBUSIVRWYPI-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCC[NH+]1CC(N2CCN(C(=O)c3c[nH]cc4ncnc3-4)CC2)C1 ZINC000941416613 610304477 /nfs/dbraw/zinc/30/44/77/610304477.db2.gz IQAJJSOLSHPXFT-UHFFFAOYSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)C1 ZINC000941429010 610311079 /nfs/dbraw/zinc/31/10/79/610311079.db2.gz XSJMZDPTAYPFGN-OAHLLOKOSA-N 1 1 348.491 0.648 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4nccn4C3)CC2)C1 ZINC000941463771 610321960 /nfs/dbraw/zinc/32/19/60/610321960.db2.gz AJBQTAKSMDIVPZ-INIZCTEOSA-N 1 1 343.475 0.850 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940693537 610333421 /nfs/dbraw/zinc/33/34/21/610333421.db2.gz WQVGTIOXHOSCAN-FZMZJTMJSA-N 1 1 331.420 0.851 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4nccn4C3)CC2)C1 ZINC000941464419 610333517 /nfs/dbraw/zinc/33/35/17/610333517.db2.gz JFUXTXINJFEMAU-MRXNPFEDSA-N 1 1 341.459 0.297 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccnc4n[nH]nc43)CC2)C1 ZINC000941479677 610334827 /nfs/dbraw/zinc/33/48/27/610334827.db2.gz POMVHJZOSGLJBJ-UHFFFAOYSA-N 1 1 341.419 0.371 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccn4ccnc4c3)CC2)C1 ZINC000941484839 610337402 /nfs/dbraw/zinc/33/74/02/610337402.db2.gz JLMPPQWJYWOEBR-UHFFFAOYSA-N 1 1 325.416 0.962 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cccc4nccn43)CC2)C1 ZINC000941485211 610337858 /nfs/dbraw/zinc/33/78/58/610337858.db2.gz NIIRGUARPPQLBG-UHFFFAOYSA-N 1 1 325.416 0.962 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CCn3nc(C)cc3C)CC2)C1 ZINC000941505345 610347570 /nfs/dbraw/zinc/34/75/70/610347570.db2.gz QEYOTZMDOTZNCE-UHFFFAOYSA-N 1 1 331.464 0.904 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000940752892 610356799 /nfs/dbraw/zinc/35/67/99/610356799.db2.gz GWEZBQHTEYDZKZ-LBPRGKRZSA-N 1 1 334.424 0.170 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C(C)(C)C1 ZINC000940801644 610369529 /nfs/dbraw/zinc/36/95/29/610369529.db2.gz VQSXDFTVFHRPTG-CYBMUJFWSA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C(C)(C)C1 ZINC000940801644 610369532 /nfs/dbraw/zinc/36/95/32/610369532.db2.gz VQSXDFTVFHRPTG-CYBMUJFWSA-N 1 1 343.855 0.814 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3nccn4ccnc34)CC2)C1 ZINC000941571533 610378207 /nfs/dbraw/zinc/37/82/07/610378207.db2.gz YUCNEFHSYPCEGA-UHFFFAOYSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ncn(C(C)(C)C)n3)CC2)C1 ZINC000941564436 610384972 /nfs/dbraw/zinc/38/49/72/610384972.db2.gz IUYSEFAEPGDBBA-UHFFFAOYSA-N 1 1 332.452 0.661 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4ncn(C)c4n3)CC2)C1 ZINC000941565267 610385663 /nfs/dbraw/zinc/38/56/63/610385663.db2.gz USQHRBVFILXMFC-UHFFFAOYSA-N 1 1 340.431 0.596 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000940812727 610386139 /nfs/dbraw/zinc/38/61/39/610386139.db2.gz UBPALKAPXGDVHD-ZDUSSCGKSA-N 1 1 329.404 0.513 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CCN(C2CN(CC#N)C2)CC1 ZINC000941590794 610387542 /nfs/dbraw/zinc/38/75/42/610387542.db2.gz VBGHFVIFFSBNJY-UHFFFAOYSA-N 1 1 330.436 0.358 20 30 ECEDMO CC(C)c1[nH+]ccn1CCC(=O)N1CCN(C2CN(CC#N)C2)CC1 ZINC000941593785 610389035 /nfs/dbraw/zinc/38/90/35/610389035.db2.gz TUVDZOMHEDUIKO-UHFFFAOYSA-N 1 1 344.463 0.749 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000941596015 610390396 /nfs/dbraw/zinc/39/03/96/610390396.db2.gz SLZPASCJOCHIMH-SFHVURJKSA-N 1 1 332.492 0.711 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cccn4ccnc34)CC2)C1 ZINC000941601764 610402073 /nfs/dbraw/zinc/40/20/73/610402073.db2.gz XAQGUZXQHIALPW-UHFFFAOYSA-N 1 1 337.427 0.800 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603699 610403524 /nfs/dbraw/zinc/40/35/24/610403524.db2.gz MJKUVHMNAXSDOV-MJGOQNOKSA-N 1 1 344.503 0.855 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4cccnn43)CC2)C1 ZINC000941596727 610413978 /nfs/dbraw/zinc/41/39/78/610413978.db2.gz OQLCATAUOLRNAV-UHFFFAOYSA-N 1 1 325.416 0.962 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC000941633032 610418980 /nfs/dbraw/zinc/41/89/80/610418980.db2.gz ZTJQZSBIVGFKTR-GOSISDBHSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000941654685 610430037 /nfs/dbraw/zinc/43/00/37/610430037.db2.gz LTELABMXFOXUQO-GOSISDBHSA-N 1 1 343.427 0.841 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000940912682 610430385 /nfs/dbraw/zinc/43/03/85/610430385.db2.gz RRAKXARCSQIQMC-GJZGRUSLSA-N 1 1 343.431 0.606 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C(C)(C)C1 ZINC000940935645 610435989 /nfs/dbraw/zinc/43/59/89/610435989.db2.gz DFPRRVARNCJVJF-CQSZACIVSA-N 1 1 330.432 0.861 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)N3CCOCC3)CC2)C1 ZINC000941674633 610447557 /nfs/dbraw/zinc/44/75/57/610447557.db2.gz FWKYFPNJRBFUAR-SFHVURJKSA-N 1 1 348.491 0.112 20 30 ECEDMO C[NH+](C)[C@H](C(=O)N1CCN(C2CN(CC#N)C2)CC1)c1ccccc1 ZINC000941679178 610452188 /nfs/dbraw/zinc/45/21/88/610452188.db2.gz SGRHJIYXQOUOMM-SFHVURJKSA-N 1 1 341.459 0.641 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)C1 ZINC000941662140 610453541 /nfs/dbraw/zinc/45/35/41/610453541.db2.gz YCQOHAFBEDAMDM-UHFFFAOYSA-N 1 1 328.416 0.414 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)cn3)CC2)C1 ZINC000941681410 610460558 /nfs/dbraw/zinc/46/05/58/610460558.db2.gz PWCFAZYXXSHZAZ-UHFFFAOYSA-N 1 1 341.459 0.613 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)N3CCCC3=O)CC2)C1 ZINC000941684814 610462711 /nfs/dbraw/zinc/46/27/11/610462711.db2.gz ADRGMBQCDTWYPB-GOSISDBHSA-N 1 1 348.491 0.648 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](C)C1 ZINC000942543239 610506081 /nfs/dbraw/zinc/50/60/81/610506081.db2.gz RKNLMCNSDGJTBP-CABCVRRESA-N 1 1 341.415 0.346 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941792058 610511275 /nfs/dbraw/zinc/51/12/75/610511275.db2.gz XBFDFRWVSDUOHV-XJKSGUPXSA-N 1 1 339.403 0.572 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000942554232 610512840 /nfs/dbraw/zinc/51/28/40/610512840.db2.gz NIPOBVHJPWKWEW-ZACQAIPSSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC2(C)C)nn1 ZINC000941088471 610530335 /nfs/dbraw/zinc/53/03/35/610530335.db2.gz YCICXWDULVZXRU-ZDUSSCGKSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)CC2(C)C)nn1 ZINC000941088471 610530337 /nfs/dbraw/zinc/53/03/37/610530337.db2.gz YCICXWDULVZXRU-ZDUSSCGKSA-N 1 1 334.424 0.170 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2C)c1 ZINC000942617827 610539699 /nfs/dbraw/zinc/53/96/99/610539699.db2.gz SBZBVMUAOQCUBZ-CJNGLKHVSA-N 1 1 328.416 0.591 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941967077 610581577 /nfs/dbraw/zinc/58/15/77/610581577.db2.gz PWOBGDGBUGRRHN-IUODEOHRSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C(C)(C)C1 ZINC000941169350 610583067 /nfs/dbraw/zinc/58/30/67/610583067.db2.gz MLBXOXKRVVURJQ-HNNXBMFYSA-N 1 1 328.416 0.905 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@@H](C)C1 ZINC000942720045 610584706 /nfs/dbraw/zinc/58/47/06/610584706.db2.gz HMNNLGAEZHBRKP-GJZGRUSLSA-N 1 1 344.459 0.987 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941963686 610586127 /nfs/dbraw/zinc/58/61/27/610586127.db2.gz MMLMIFLKAFCCTG-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H]1C[N@H+](CCS(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966534 610588256 /nfs/dbraw/zinc/58/82/56/610588256.db2.gz LVTNMAVMEVEUEM-AAEUAGOBSA-N 1 1 338.433 0.371 20 30 ECEDMO C[C@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966534 610588257 /nfs/dbraw/zinc/58/82/57/610588257.db2.gz LVTNMAVMEVEUEM-AAEUAGOBSA-N 1 1 338.433 0.371 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941210533 610597747 /nfs/dbraw/zinc/59/77/47/610597747.db2.gz HKZUMCRIJSFAFR-CYBMUJFWSA-N 1 1 332.404 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000941241963 610614882 /nfs/dbraw/zinc/61/48/82/610614882.db2.gz OWPRGCDEMRJGIT-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000941241963 610614883 /nfs/dbraw/zinc/61/48/83/610614883.db2.gz OWPRGCDEMRJGIT-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000941237934 610621391 /nfs/dbraw/zinc/62/13/91/610621391.db2.gz MCMXONYBMJXFEZ-CABCVRRESA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000941237934 610621395 /nfs/dbraw/zinc/62/13/95/610621395.db2.gz MCMXONYBMJXFEZ-CABCVRRESA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccns2)CC1 ZINC000941262075 610630321 /nfs/dbraw/zinc/63/03/21/610630321.db2.gz VXUHOEUAGJJMJD-AWEZNQCLSA-N 1 1 346.456 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccns2)CC1 ZINC000941262075 610630322 /nfs/dbraw/zinc/63/03/22/610630322.db2.gz VXUHOEUAGJJMJD-AWEZNQCLSA-N 1 1 346.456 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)[C@H]2CCOC2)C1 ZINC000942817463 610639517 /nfs/dbraw/zinc/63/95/17/610639517.db2.gz FWWKLAQLPWXISQ-BBWFWOEESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)[C@H]2CCOC2)C1 ZINC000942817463 610639518 /nfs/dbraw/zinc/63/95/18/610639518.db2.gz FWWKLAQLPWXISQ-BBWFWOEESA-N 1 1 347.459 0.570 20 30 ECEDMO CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000942852624 610657822 /nfs/dbraw/zinc/65/78/22/610657822.db2.gz RRNVNTDRPMAKNH-OLZOCXBDSA-N 1 1 347.419 0.959 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@@H](C)C1 ZINC000942179900 610689077 /nfs/dbraw/zinc/68/90/77/610689077.db2.gz DJDAXGQWHZFXGU-ZFWWWQNUSA-N 1 1 328.416 0.573 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000942190066 610689855 /nfs/dbraw/zinc/68/98/55/610689855.db2.gz YVMZXHCQBQSLTJ-AAEUAGOBSA-N 1 1 339.417 0.391 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4cn[nH]c43)CC2)C1 ZINC000941410210 610723236 /nfs/dbraw/zinc/72/32/36/610723236.db2.gz BYBJENLPGHRZDK-INIZCTEOSA-N 1 1 329.448 0.844 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2C)cn1 ZINC000944213602 610786082 /nfs/dbraw/zinc/78/60/82/610786082.db2.gz FDZVDOHBNJTZMD-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)OC)CC2 ZINC000944877475 610824549 /nfs/dbraw/zinc/82/45/49/610824549.db2.gz QXNDSIIOSBLNJJ-HOTGVXAUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)OC)CC2 ZINC000944877475 610824551 /nfs/dbraw/zinc/82/45/51/610824551.db2.gz QXNDSIIOSBLNJJ-HOTGVXAUSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000944907759 610834990 /nfs/dbraw/zinc/83/49/90/610834990.db2.gz OKWUCVNYYBKHLL-OCCSQVGLSA-N 1 1 334.420 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC12CC2 ZINC000944329845 610839925 /nfs/dbraw/zinc/83/99/25/610839925.db2.gz RGLNSCXLYJBGMW-OAGGEKHMSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC12CC2 ZINC000944329845 610839927 /nfs/dbraw/zinc/83/99/27/610839927.db2.gz RGLNSCXLYJBGMW-OAGGEKHMSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C[C@@H]2C)cc1 ZINC000943464024 610850831 /nfs/dbraw/zinc/85/08/31/610850831.db2.gz CAQFESSODBEXIB-YOEHRIQHSA-N 1 1 343.427 0.885 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)c2ccco2)C1 ZINC000944449301 610872131 /nfs/dbraw/zinc/87/21/31/610872131.db2.gz DAVDFBLUHDBHGI-GJZGRUSLSA-N 1 1 345.399 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)c2ccco2)C1 ZINC000944449301 610872133 /nfs/dbraw/zinc/87/21/33/610872133.db2.gz DAVDFBLUHDBHGI-GJZGRUSLSA-N 1 1 345.399 0.334 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@H](C)C1 ZINC000943514471 610881222 /nfs/dbraw/zinc/88/12/22/610881222.db2.gz CTXKDDVNWYVKSU-TZMCWYRMSA-N 1 1 327.388 0.898 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H](C)C#N)CC3)C1 ZINC000945035662 610890322 /nfs/dbraw/zinc/89/03/22/610890322.db2.gz QVWGWGAMQNGXEN-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H](C)C#N)CC3)C1 ZINC000945035662 610890323 /nfs/dbraw/zinc/89/03/23/610890323.db2.gz QVWGWGAMQNGXEN-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H](C)C1 ZINC000943644954 610926408 /nfs/dbraw/zinc/92/64/08/610926408.db2.gz BMPFPTVXHROCFO-IUODEOHRSA-N 1 1 341.415 0.795 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H](C)C1 ZINC000943761348 610978766 /nfs/dbraw/zinc/97/87/66/610978766.db2.gz LKBMFABMCZWNLQ-BBRMVZONSA-N 1 1 330.432 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2ccc[nH]2)CCO1 ZINC000944648999 611057692 /nfs/dbraw/zinc/05/76/92/611057692.db2.gz XXSUBNRORSSSLW-HOCLYGCPSA-N 1 1 344.415 0.070 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2ccc[nH]2)CCO1 ZINC000944648999 611057696 /nfs/dbraw/zinc/05/76/96/611057696.db2.gz XXSUBNRORSSSLW-HOCLYGCPSA-N 1 1 344.415 0.070 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ncccn1 ZINC000944101674 611124450 /nfs/dbraw/zinc/12/44/50/611124450.db2.gz YJZBOVILCXTECE-CABCVRRESA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ncccn1 ZINC000944101674 611124452 /nfs/dbraw/zinc/12/44/52/611124452.db2.gz YJZBOVILCXTECE-CABCVRRESA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cocn1 ZINC000944099287 611131541 /nfs/dbraw/zinc/13/15/41/611131541.db2.gz IBFYZFQCUUKORC-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cocn1 ZINC000944099287 611131542 /nfs/dbraw/zinc/13/15/42/611131542.db2.gz IBFYZFQCUUKORC-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO N#CC1CCC(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000923436477 611243729 /nfs/dbraw/zinc/24/37/29/611243729.db2.gz HBBUKVUCMRFKEP-UHFFFAOYSA-N 1 1 326.466 0.236 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(Br)nnn2C)C1 ZINC000923558911 611260783 /nfs/dbraw/zinc/26/07/83/611260783.db2.gz AKUKTXIXJSRSAK-SECBINFHSA-N 1 1 326.198 0.405 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(Br)nnn2C)C1 ZINC000923558911 611260784 /nfs/dbraw/zinc/26/07/84/611260784.db2.gz AKUKTXIXJSRSAK-SECBINFHSA-N 1 1 326.198 0.405 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nnn(Cc3cc(C)no3)c2C)C1 ZINC000923559180 611261152 /nfs/dbraw/zinc/26/11/52/611261152.db2.gz IDMQMHNXOCXVAU-CQSZACIVSA-N 1 1 342.403 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nnn(Cc3cc(C)no3)c2C)C1 ZINC000923559180 611261154 /nfs/dbraw/zinc/26/11/54/611261154.db2.gz IDMQMHNXOCXVAU-CQSZACIVSA-N 1 1 342.403 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCc3ccccc3C2=O)C1 ZINC000923561095 611262340 /nfs/dbraw/zinc/26/23/40/611262340.db2.gz RFCGWEGDHUXZRN-MRXNPFEDSA-N 1 1 325.412 0.899 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCc3ccccc3C2=O)C1 ZINC000923561095 611262341 /nfs/dbraw/zinc/26/23/41/611262341.db2.gz RFCGWEGDHUXZRN-MRXNPFEDSA-N 1 1 325.412 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000923572053 611265044 /nfs/dbraw/zinc/26/50/44/611265044.db2.gz UVWARWPURRNKPQ-CHWSQXEVSA-N 1 1 329.466 0.164 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000923572053 611265047 /nfs/dbraw/zinc/26/50/47/611265047.db2.gz UVWARWPURRNKPQ-CHWSQXEVSA-N 1 1 329.466 0.164 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)C1 ZINC000923584277 611267931 /nfs/dbraw/zinc/26/79/31/611267931.db2.gz GCAPQKPAYBLTKJ-CABCVRRESA-N 1 1 331.420 0.116 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)C1 ZINC000923584277 611267933 /nfs/dbraw/zinc/26/79/33/611267933.db2.gz GCAPQKPAYBLTKJ-CABCVRRESA-N 1 1 331.420 0.116 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2Oc3ccccc3NC2=O)C1 ZINC000923591751 611271362 /nfs/dbraw/zinc/27/13/62/611271362.db2.gz JEVZRWPFNCACSL-CZUORRHYSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2Oc3ccccc3NC2=O)C1 ZINC000923591751 611271364 /nfs/dbraw/zinc/27/13/64/611271364.db2.gz JEVZRWPFNCACSL-CZUORRHYSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000923592038 611271442 /nfs/dbraw/zinc/27/14/42/611271442.db2.gz HVZCKAYWKXXRSD-OAHLLOKOSA-N 1 1 349.456 0.480 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000923592038 611271443 /nfs/dbraw/zinc/27/14/43/611271443.db2.gz HVZCKAYWKXXRSD-OAHLLOKOSA-N 1 1 349.456 0.480 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)COc2ccccc2)C1 ZINC000923594221 611278943 /nfs/dbraw/zinc/27/89/43/611278943.db2.gz HELVUTPFKFHKFP-HNNXBMFYSA-N 1 1 329.400 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)COc2ccccc2)C1 ZINC000923594221 611278944 /nfs/dbraw/zinc/27/89/44/611278944.db2.gz HELVUTPFKFHKFP-HNNXBMFYSA-N 1 1 329.400 0.395 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2CC1 ZINC000946514356 611294859 /nfs/dbraw/zinc/29/48/59/611294859.db2.gz CYWLDUBXMUKJKX-OAGGEKHMSA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2CC1 ZINC000946515032 611295068 /nfs/dbraw/zinc/29/50/68/611295068.db2.gz ZGEPIQBDJDTFSD-KFWWJZLASA-N 1 1 332.448 0.937 20 30 ECEDMO COc1ccc2c(c1F)NC(=O)C2=NNCCC[NH+]1CCOCC1 ZINC000834976783 611305761 /nfs/dbraw/zinc/30/57/61/611305761.db2.gz PBKSWQMCXNTZPU-UHFFFAOYSA-N 1 1 336.367 0.802 20 30 ECEDMO C[N@@H+](CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)CCOCCO ZINC000922112809 611336240 /nfs/dbraw/zinc/33/62/40/611336240.db2.gz HCXFEFGFGOOUOE-UHFFFAOYSA-N 1 1 349.406 0.786 20 30 ECEDMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630102 611736498 /nfs/dbraw/zinc/73/64/98/611736498.db2.gz WAGLIUSUEUOTGZ-MRXNPFEDSA-N 1 1 345.399 0.953 20 30 ECEDMO COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630102 611736499 /nfs/dbraw/zinc/73/64/99/611736499.db2.gz WAGLIUSUEUOTGZ-MRXNPFEDSA-N 1 1 345.399 0.953 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1 ZINC000933651601 611738631 /nfs/dbraw/zinc/73/86/31/611738631.db2.gz NHSOASBVBFSOCZ-OAHLLOKOSA-N 1 1 349.431 0.451 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C ZINC000947928641 611744171 /nfs/dbraw/zinc/74/41/71/611744171.db2.gz FKSYLNXIQUNGSD-RYUDHWBXSA-N 1 1 328.376 0.024 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C ZINC000947929746 611744960 /nfs/dbraw/zinc/74/49/60/611744960.db2.gz NUFBIHNTHZCSIE-QWHCGFSZSA-N 1 1 344.419 0.967 20 30 ECEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C)CC[N@@H+](C)CC1 ZINC000933993186 611764313 /nfs/dbraw/zinc/76/43/13/611764313.db2.gz UAHOQZUCTOZUJD-QGZVFWFLSA-N 1 1 330.432 0.952 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929752062 611789869 /nfs/dbraw/zinc/78/98/69/611789869.db2.gz FHFAURZKAPRNQP-STQMWFEESA-N 1 1 343.518 0.718 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929752062 611789873 /nfs/dbraw/zinc/78/98/73/611789873.db2.gz FHFAURZKAPRNQP-STQMWFEESA-N 1 1 343.518 0.718 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccco2)C1 ZINC000950645228 611814460 /nfs/dbraw/zinc/81/44/60/611814460.db2.gz OIXGBLXVSQCUJJ-KFWWJZLASA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccco2)C1 ZINC000950645228 611814463 /nfs/dbraw/zinc/81/44/63/611814463.db2.gz OIXGBLXVSQCUJJ-KFWWJZLASA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2csnn2)C1 ZINC000950648546 611816763 /nfs/dbraw/zinc/81/67/63/611816763.db2.gz QCHNTNVXBNKFLF-BZPMIXESSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2csnn2)C1 ZINC000950648546 611816765 /nfs/dbraw/zinc/81/67/65/611816765.db2.gz QCHNTNVXBNKFLF-BZPMIXESSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccns1 ZINC000950755012 611890585 /nfs/dbraw/zinc/89/05/85/611890585.db2.gz BKESPYXDSQACGG-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccns1 ZINC000950755012 611890587 /nfs/dbraw/zinc/89/05/87/611890587.db2.gz BKESPYXDSQACGG-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCc1ccon1 ZINC000950755772 611891347 /nfs/dbraw/zinc/89/13/47/611891347.db2.gz UGCHGCNJVBZBKW-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCc1ccon1 ZINC000950755772 611891348 /nfs/dbraw/zinc/89/13/48/611891348.db2.gz UGCHGCNJVBZBKW-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1F ZINC000950755602 611891433 /nfs/dbraw/zinc/89/14/33/611891433.db2.gz POEXXOAZZWVEQQ-ZFWWWQNUSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1F ZINC000950755602 611891434 /nfs/dbraw/zinc/89/14/34/611891434.db2.gz POEXXOAZZWVEQQ-ZFWWWQNUSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC000949183483 611892474 /nfs/dbraw/zinc/89/24/74/611892474.db2.gz KLGHGAJLCANMQP-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC000949183483 611892476 /nfs/dbraw/zinc/89/24/76/611892476.db2.gz KLGHGAJLCANMQP-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000950232260 611917519 /nfs/dbraw/zinc/91/75/19/611917519.db2.gz XUGPSWBAOYTCFW-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC000949340422 611944427 /nfs/dbraw/zinc/94/44/27/611944427.db2.gz NNKOLLXOAPNJRP-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC000949365918 611953462 /nfs/dbraw/zinc/95/34/62/611953462.db2.gz LULPJVOWJVTPIS-UHFFFAOYSA-N 1 1 344.415 0.816 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC000949365918 611953464 /nfs/dbraw/zinc/95/34/64/611953464.db2.gz LULPJVOWJVTPIS-UHFFFAOYSA-N 1 1 344.415 0.816 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000950866265 611954346 /nfs/dbraw/zinc/95/43/46/611954346.db2.gz KHNFRPNHULSFKV-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000949390281 611961247 /nfs/dbraw/zinc/96/12/47/611961247.db2.gz AXSWRIIISFCBMC-ZFWWWQNUSA-N 1 1 336.436 0.222 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000949390281 611961250 /nfs/dbraw/zinc/96/12/50/611961250.db2.gz AXSWRIIISFCBMC-ZFWWWQNUSA-N 1 1 336.436 0.222 20 30 ECEDMO CC#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394772 611962976 /nfs/dbraw/zinc/96/29/76/611962976.db2.gz CTAIMDIMOIPFRG-IAGOWNOFSA-N 1 1 349.475 0.422 20 30 ECEDMO CC#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394772 611962978 /nfs/dbraw/zinc/96/29/78/611962978.db2.gz CTAIMDIMOIPFRG-IAGOWNOFSA-N 1 1 349.475 0.422 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC000949405814 611967532 /nfs/dbraw/zinc/96/75/32/611967532.db2.gz KEAUZSIESNJHIW-OAHLLOKOSA-N 1 1 333.432 0.229 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC000949405814 611967534 /nfs/dbraw/zinc/96/75/34/611967534.db2.gz KEAUZSIESNJHIW-OAHLLOKOSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)C1 ZINC000949429916 611976865 /nfs/dbraw/zinc/97/68/65/611976865.db2.gz INDGEJIQUYFHNE-LSDHHAIUSA-N 1 1 333.432 0.215 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000949451787 611985884 /nfs/dbraw/zinc/98/58/84/611985884.db2.gz ARLRJQQDGUNANU-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000949471001 611991875 /nfs/dbraw/zinc/99/18/75/611991875.db2.gz NNRVZSSTXVXCKH-IRXDYDNUSA-N 1 1 333.476 0.901 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000949499240 612008805 /nfs/dbraw/zinc/00/88/05/612008805.db2.gz YQLKQMFPFZFHKA-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC000949506461 612013527 /nfs/dbraw/zinc/01/35/27/612013527.db2.gz IKOLENSJJFCIHO-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC000949506461 612013530 /nfs/dbraw/zinc/01/35/30/612013530.db2.gz IKOLENSJJFCIHO-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1coc(CC)n1 ZINC000949510021 612014793 /nfs/dbraw/zinc/01/47/93/612014793.db2.gz LXNBEVYMTHEYNP-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1coc(CC)n1 ZINC000949510021 612014795 /nfs/dbraw/zinc/01/47/95/612014795.db2.gz LXNBEVYMTHEYNP-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC000949512325 612015787 /nfs/dbraw/zinc/01/57/87/612015787.db2.gz XNIRLASORPYGCL-CQSZACIVSA-N 1 1 345.447 0.789 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC000949512325 612015788 /nfs/dbraw/zinc/01/57/88/612015788.db2.gz XNIRLASORPYGCL-CQSZACIVSA-N 1 1 345.447 0.789 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC000949515575 612017667 /nfs/dbraw/zinc/01/76/67/612017667.db2.gz YPCRCKDGKPBKSL-KRWDZBQOSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC000949520230 612018697 /nfs/dbraw/zinc/01/86/97/612018697.db2.gz MFSBQAJQSOLXLU-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC000949520230 612018699 /nfs/dbraw/zinc/01/86/99/612018699.db2.gz MFSBQAJQSOLXLU-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000950481498 612035163 /nfs/dbraw/zinc/03/51/63/612035163.db2.gz COQNHRGRQCCMPW-CQSZACIVSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000950533155 612057884 /nfs/dbraw/zinc/05/78/84/612057884.db2.gz BFMCOAXGASIAHC-BBRMVZONSA-N 1 1 344.463 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000950533155 612057886 /nfs/dbraw/zinc/05/78/86/612057886.db2.gz BFMCOAXGASIAHC-BBRMVZONSA-N 1 1 344.463 0.804 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC000952718977 612082723 /nfs/dbraw/zinc/08/27/23/612082723.db2.gz UWWQKYHMBAAYLD-AEGPPILISA-N 1 1 329.404 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC000952739029 612086443 /nfs/dbraw/zinc/08/64/43/612086443.db2.gz WRNCTNHPFKBGKM-NCOADZHNSA-N 1 1 342.443 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC000952739029 612086445 /nfs/dbraw/zinc/08/64/45/612086445.db2.gz WRNCTNHPFKBGKM-NCOADZHNSA-N 1 1 342.443 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cccn2C)C1 ZINC000951223370 612088114 /nfs/dbraw/zinc/08/81/14/612088114.db2.gz FRUKAFJBSYLASF-WBVHZDCISA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cccn2C)C1 ZINC000951223370 612088116 /nfs/dbraw/zinc/08/81/16/612088116.db2.gz FRUKAFJBSYLASF-WBVHZDCISA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000951223604 612088653 /nfs/dbraw/zinc/08/86/53/612088653.db2.gz LPKOZDZJINIJMO-SJORKVTESA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000951223604 612088656 /nfs/dbraw/zinc/08/86/56/612088656.db2.gz LPKOZDZJINIJMO-SJORKVTESA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2oncc2C)C1 ZINC000951897046 612119795 /nfs/dbraw/zinc/11/97/95/612119795.db2.gz KJVQYTVFBPGRNP-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2oncc2C)C1 ZINC000951897046 612119797 /nfs/dbraw/zinc/11/97/97/612119797.db2.gz KJVQYTVFBPGRNP-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000953031377 612143646 /nfs/dbraw/zinc/14/36/46/612143646.db2.gz QXMUJJHJZLOATN-SUMWQHHRSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000953031377 612143649 /nfs/dbraw/zinc/14/36/49/612143649.db2.gz QXMUJJHJZLOATN-SUMWQHHRSA-N 1 1 339.386 0.800 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccccc2OCC#N)CC1 ZINC000194331100 612170815 /nfs/dbraw/zinc/17/08/15/612170815.db2.gz XQUUJCAJEQCXMJ-UHFFFAOYSA-N 1 1 330.388 0.529 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000952012684 612176010 /nfs/dbraw/zinc/17/60/10/612176010.db2.gz XIMMTZNBIACGMN-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC000952091404 612222796 /nfs/dbraw/zinc/22/27/96/612222796.db2.gz NTTNAOSUUYMCSS-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC000952091404 612222798 /nfs/dbraw/zinc/22/27/98/612222798.db2.gz NTTNAOSUUYMCSS-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)NCCC[N@H+](C)CCOC)c1 ZINC000193459309 612268189 /nfs/dbraw/zinc/26/81/89/612268189.db2.gz VUHBQQGPKDRPMS-UHFFFAOYSA-N 1 1 346.431 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2conc2C)C1 ZINC000955166624 612318402 /nfs/dbraw/zinc/31/84/02/612318402.db2.gz CKLVVCALIZQCHU-HNNXBMFYSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2conc2C)C1 ZINC000955166624 612318406 /nfs/dbraw/zinc/31/84/06/612318406.db2.gz CKLVVCALIZQCHU-HNNXBMFYSA-N 1 1 330.388 0.363 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000954513281 612351960 /nfs/dbraw/zinc/35/19/60/612351960.db2.gz RKPBRFLIPZVAFX-BBRMVZONSA-N 1 1 348.447 0.459 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000955257224 612388270 /nfs/dbraw/zinc/38/82/70/612388270.db2.gz GTFBLMBPBRBIBV-UKRRQHHQSA-N 1 1 335.448 0.731 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000955257224 612388276 /nfs/dbraw/zinc/38/82/76/612388276.db2.gz GTFBLMBPBRBIBV-UKRRQHHQSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2(CF)CCC2)C1 ZINC000954631308 612469733 /nfs/dbraw/zinc/46/97/33/612469733.db2.gz VQUDRTDYORFZFP-HNNXBMFYSA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2(CF)CCC2)C1 ZINC000954631308 612469734 /nfs/dbraw/zinc/46/97/34/612469734.db2.gz VQUDRTDYORFZFP-HNNXBMFYSA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OC ZINC000952506636 612469786 /nfs/dbraw/zinc/46/97/86/612469786.db2.gz LGAFJMONOATKAH-NCOADZHNSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OC ZINC000952506636 612469789 /nfs/dbraw/zinc/46/97/89/612469789.db2.gz LGAFJMONOATKAH-NCOADZHNSA-N 1 1 347.459 0.711 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000954647053 612488897 /nfs/dbraw/zinc/48/88/97/612488897.db2.gz RYEBTGDCJFABBJ-UKRRQHHQSA-N 1 1 335.448 0.731 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000954647053 612488899 /nfs/dbraw/zinc/48/88/99/612488899.db2.gz RYEBTGDCJFABBJ-UKRRQHHQSA-N 1 1 335.448 0.731 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000951716601 612498068 /nfs/dbraw/zinc/49/80/68/612498068.db2.gz FCNPLOWNWYLOKF-CVEARBPZSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1ccon1 ZINC000955935566 612508306 /nfs/dbraw/zinc/50/83/06/612508306.db2.gz NEOJJSVXZCBKGA-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1ccon1 ZINC000955935566 612508310 /nfs/dbraw/zinc/50/83/10/612508310.db2.gz NEOJJSVXZCBKGA-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H](CC)OC)CC1 ZINC000954044650 612585513 /nfs/dbraw/zinc/58/55/13/612585513.db2.gz KXNDCEXJWUDHDO-IRXDYDNUSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H](CC)OC)CC1 ZINC000954044650 612585518 /nfs/dbraw/zinc/58/55/18/612585518.db2.gz KXNDCEXJWUDHDO-IRXDYDNUSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000956000806 612591943 /nfs/dbraw/zinc/59/19/43/612591943.db2.gz XTJUNPCPWRPRTQ-KBPBESRZSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000956000806 612591945 /nfs/dbraw/zinc/59/19/45/612591945.db2.gz XTJUNPCPWRPRTQ-KBPBESRZSA-N 1 1 329.404 0.228 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956836804 612607768 /nfs/dbraw/zinc/60/77/68/612607768.db2.gz FIUNPQSHEOFNHY-KRWDZBQOSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)c3ccn[nH]3)C2)CC1 ZINC000953781426 612626073 /nfs/dbraw/zinc/62/60/73/612626073.db2.gz PTRNODHAINIEPH-UHFFFAOYSA-N 1 1 329.404 0.038 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954088684 612647963 /nfs/dbraw/zinc/64/79/63/612647963.db2.gz XNSRTMZJKFMONM-RISCZKNCSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000956073793 612677843 /nfs/dbraw/zinc/67/78/43/612677843.db2.gz YMNIEHQVMVNMIL-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000956073793 612677845 /nfs/dbraw/zinc/67/78/45/612677845.db2.gz YMNIEHQVMVNMIL-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccccn1 ZINC000956074038 612678094 /nfs/dbraw/zinc/67/80/94/612678094.db2.gz QZHMEXBIIJULHY-RDJZCZTQSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccccn1 ZINC000956074038 612678097 /nfs/dbraw/zinc/67/80/97/612678097.db2.gz QZHMEXBIIJULHY-RDJZCZTQSA-N 1 1 340.427 0.900 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC000954797811 612691860 /nfs/dbraw/zinc/69/18/60/612691860.db2.gz GVSQGVJOPDGAFA-UHFFFAOYSA-N 1 1 337.383 0.551 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000956207321 612778383 /nfs/dbraw/zinc/77/83/83/612778383.db2.gz KDUJCAOCPJYWCN-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000956207321 612778387 /nfs/dbraw/zinc/77/83/87/612778387.db2.gz KDUJCAOCPJYWCN-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956224774 612785958 /nfs/dbraw/zinc/78/59/58/612785958.db2.gz DQJWYRNTKHSMFP-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CCCOC2)C1 ZINC000954338050 612864671 /nfs/dbraw/zinc/86/46/71/612864671.db2.gz ZMIPWTQNRFONNW-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CCCOC2)C1 ZINC000954338050 612864674 /nfs/dbraw/zinc/86/46/74/612864674.db2.gz ZMIPWTQNRFONNW-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000954424569 612903249 /nfs/dbraw/zinc/90/32/49/612903249.db2.gz JJVDLBUIKSUWLJ-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000954424569 612903252 /nfs/dbraw/zinc/90/32/52/612903252.db2.gz JJVDLBUIKSUWLJ-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2ccc[nH]2)C1 ZINC000954427716 612906144 /nfs/dbraw/zinc/90/61/44/612906144.db2.gz ZJNIMUVXQLAOEN-INIZCTEOSA-N 1 1 328.416 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2ccc[nH]2)C1 ZINC000954427716 612906146 /nfs/dbraw/zinc/90/61/46/612906146.db2.gz ZJNIMUVXQLAOEN-INIZCTEOSA-N 1 1 328.416 0.324 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC001041787217 782206546 /nfs/dbraw/zinc/20/65/46/782206546.db2.gz XMQBUBDYELXMJA-MRXNPFEDSA-N 1 1 334.376 0.620 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](C)C(=O)NC)C3)C2)nc1 ZINC001041793452 782221556 /nfs/dbraw/zinc/22/15/56/782221556.db2.gz KNSQAJQGVIJWSS-AUUYWEPGSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1 ZINC001069979174 790271855 /nfs/dbraw/zinc/27/18/55/790271855.db2.gz CKACXGGCKGBMOJ-CABCVRRESA-N 1 1 342.403 0.539 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC000969326113 731720976 /nfs/dbraw/zinc/72/09/76/731720976.db2.gz DSCWVTSEOVYCGL-LRDDRELGSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)COC)C(C)C ZINC001114939045 731745096 /nfs/dbraw/zinc/74/50/96/731745096.db2.gz ARCDLLCXINJJSH-HDEZJCGLSA-N 1 1 337.464 0.786 20 30 ECEDMO CC1(C)C[N@@H+](CCn2cncn2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973007924 738535473 /nfs/dbraw/zinc/53/54/73/738535473.db2.gz CARQPOABPANECA-AWEZNQCLSA-N 1 1 327.392 0.618 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000969409426 731815912 /nfs/dbraw/zinc/81/59/12/731815912.db2.gz GXONUBDECSKPHO-MEDUHNTESA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000969514809 731935911 /nfs/dbraw/zinc/93/59/11/731935911.db2.gz SUCWZUSRVHCRRP-WDEREUQCSA-N 1 1 329.404 0.604 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000969513766 731940571 /nfs/dbraw/zinc/94/05/71/731940571.db2.gz HGNUSMIUDYWTBB-LRDDRELGSA-N 1 1 341.415 0.723 20 30 ECEDMO CC1(C)C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973048521 738581398 /nfs/dbraw/zinc/58/13/98/738581398.db2.gz SLAUXCLVICYNEM-QWHCGFSZSA-N 1 1 343.387 0.132 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973048521 738581401 /nfs/dbraw/zinc/58/14/01/738581401.db2.gz SLAUXCLVICYNEM-QWHCGFSZSA-N 1 1 343.387 0.132 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1 ZINC001069982900 790276391 /nfs/dbraw/zinc/27/63/91/790276391.db2.gz ZRHDWWIOXWCBHA-KDNLLOOPSA-N 1 1 341.415 0.066 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCN(C(=O)CC)C2)CC1 ZINC001098524833 732328866 /nfs/dbraw/zinc/32/88/66/732328866.db2.gz SPXOIMHADFJSCV-HNNXBMFYSA-N 1 1 337.464 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cc(C)n(C)n2)C1 ZINC000969865793 732464044 /nfs/dbraw/zinc/46/40/44/732464044.db2.gz QTUBBZWPFTZTCE-YJBOKZPZSA-N 1 1 343.475 0.763 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cc(C)n(C)n2)C1 ZINC000969865793 732464047 /nfs/dbraw/zinc/46/40/47/732464047.db2.gz QTUBBZWPFTZTCE-YJBOKZPZSA-N 1 1 343.475 0.763 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 ZINC001083193913 732637988 /nfs/dbraw/zinc/63/79/88/732637988.db2.gz NANHPPXTQMUENB-VBQJREDUSA-N 1 1 338.427 0.634 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC000973075484 738639139 /nfs/dbraw/zinc/63/91/39/738639139.db2.gz JHXRPWZAGRAGBF-KKUMJFAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC000973075484 738639142 /nfs/dbraw/zinc/63/91/42/738639142.db2.gz JHXRPWZAGRAGBF-KKUMJFAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001041826876 782282482 /nfs/dbraw/zinc/28/24/82/782282482.db2.gz GMUNLFRJJMVTTI-GOSISDBHSA-N 1 1 346.431 0.990 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)C(=O)N2CC[C@H](C)C2)CC1 ZINC001098529182 732917085 /nfs/dbraw/zinc/91/70/85/732917085.db2.gz XOIWKCYOXRIECO-HNNXBMFYSA-N 1 1 337.464 0.716 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCCN(C)C2=O)CC1 ZINC001098530566 733021484 /nfs/dbraw/zinc/02/14/84/733021484.db2.gz CIBWIQLRMDGYJK-MRXNPFEDSA-N 1 1 337.464 0.716 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccncc1C#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125327294 733048022 /nfs/dbraw/zinc/04/80/22/733048022.db2.gz KUUQYTNNDBFGJH-NVXWUHKLSA-N 1 1 345.447 0.693 20 30 ECEDMO CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125327641 733049033 /nfs/dbraw/zinc/04/90/33/733049033.db2.gz WSGQSOUXVHJLOX-HUUCEWRRSA-N 1 1 346.435 0.088 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CNc2ccnc(C#N)n2)C(C)(C)C)C1 ZINC001125828480 738676209 /nfs/dbraw/zinc/67/62/09/738676209.db2.gz TUJYQNKYHRJHTH-STQMWFEESA-N 1 1 346.435 0.044 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CNc2ccnc(C#N)n2)C(C)(C)C)C1 ZINC001125828480 738676211 /nfs/dbraw/zinc/67/62/11/738676211.db2.gz TUJYQNKYHRJHTH-STQMWFEESA-N 1 1 346.435 0.044 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000969049082 733110260 /nfs/dbraw/zinc/11/02/60/733110260.db2.gz FBGDREWMAMXVJW-CQSZACIVSA-N 1 1 346.431 0.082 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)Cc2c(C)nn(CC)c2C)CC1 ZINC001098535099 733113213 /nfs/dbraw/zinc/11/32/13/733113213.db2.gz RNQTUVRSJJQPBF-UHFFFAOYSA-N 1 1 346.475 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000973089884 738687088 /nfs/dbraw/zinc/68/70/88/738687088.db2.gz CMKPDJKDZIKTAV-FPCVCCKLSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000973089884 738687089 /nfs/dbraw/zinc/68/70/89/738687089.db2.gz CMKPDJKDZIKTAV-FPCVCCKLSA-N 1 1 333.432 0.274 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970340352 733392253 /nfs/dbraw/zinc/39/22/53/733392253.db2.gz OSWDYQJBKFMWSO-JTQLQIEISA-N 1 1 343.412 0.953 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC000970397730 733464670 /nfs/dbraw/zinc/46/46/70/733464670.db2.gz GEHZFCARABZVTQ-DYVFJYSZSA-N 1 1 340.427 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2O)C1 ZINC000970403066 733475303 /nfs/dbraw/zinc/47/53/03/733475303.db2.gz LVUROMOEMFBQJO-JJXSEGSLSA-N 1 1 349.475 0.761 20 30 ECEDMO C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000289132281 733658475 /nfs/dbraw/zinc/65/84/75/733658475.db2.gz JLHUURLAUFHOFB-IAGOWNOFSA-N 1 1 336.457 0.812 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3cc(C)ncn3)C2)nn1 ZINC000970544056 733661122 /nfs/dbraw/zinc/66/11/22/733661122.db2.gz FRKAKEWZRYEVDU-ZDUSSCGKSA-N 1 1 341.419 0.813 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970569934 733683909 /nfs/dbraw/zinc/68/39/09/733683909.db2.gz FQEKXPPMUOSPTM-NUTKFTJISA-N 1 1 335.448 0.683 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000973103875 738744857 /nfs/dbraw/zinc/74/48/57/738744857.db2.gz AHWGYYNWFVJDNM-BZUAXINKSA-N 1 1 326.400 0.534 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC000970713845 733861264 /nfs/dbraw/zinc/86/12/64/733861264.db2.gz KVXGCCRJKMSVLE-STQMWFEESA-N 1 1 346.431 0.831 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H](C)C1C[NH+]([C@@H](CC)C(N)=O)C1 ZINC000970715080 733864360 /nfs/dbraw/zinc/86/43/60/733864360.db2.gz WVNCUQVTIUSWLQ-JSGCOSHPSA-N 1 1 346.431 0.960 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970759499 733919037 /nfs/dbraw/zinc/91/90/37/733919037.db2.gz GXONUBDECSKPHO-ZBEGNZNMSA-N 1 1 344.390 0.912 20 30 ECEDMO Cc1cc(N2CCO[C@H](CNC(=O)CSCC#N)C2)nc(C)[nH+]1 ZINC001104292852 734010755 /nfs/dbraw/zinc/01/07/55/734010755.db2.gz JDISKOUOLSKJGI-CYBMUJFWSA-N 1 1 335.433 0.672 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC000971020925 734187145 /nfs/dbraw/zinc/18/71/45/734187145.db2.gz PBEMFEIREXWDPF-HOTGVXAUSA-N 1 1 344.415 0.253 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCn3cccn3)C2)C1=O ZINC000971101698 734266108 /nfs/dbraw/zinc/26/61/08/734266108.db2.gz MYINBIQPZFRZQE-JKSUJKDBSA-N 1 1 345.447 0.593 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNc1ccncc1C#N ZINC001111584905 734289031 /nfs/dbraw/zinc/28/90/31/734289031.db2.gz TYDAOIJGLFXBSH-MRXNPFEDSA-N 1 1 331.420 0.092 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cnsn3)C2)C1=O ZINC000971138225 734309576 /nfs/dbraw/zinc/30/95/76/734309576.db2.gz QXRMXNMSDMJLJF-WCQYABFASA-N 1 1 335.433 0.471 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cnsn3)C2)C1=O ZINC000971138224 734309634 /nfs/dbraw/zinc/30/96/34/734309634.db2.gz QXRMXNMSDMJLJF-DGCLKSJQSA-N 1 1 335.433 0.471 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC001098548152 734320457 /nfs/dbraw/zinc/32/04/57/734320457.db2.gz QBNWXWUZEUKOFB-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C2)C1=O ZINC000971197634 734353570 /nfs/dbraw/zinc/35/35/70/734353570.db2.gz KWXYHMFYNSIOTD-CVEARBPZSA-N 1 1 345.447 0.282 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971202707 734356105 /nfs/dbraw/zinc/35/61/05/734356105.db2.gz AJLJFRSAKKIJTG-JKSUJKDBSA-N 1 1 326.400 0.870 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)n3ccsc3n2)C1 ZINC000971221813 734367238 /nfs/dbraw/zinc/36/72/38/734367238.db2.gz REMKOVNRUGNWFB-AAEUAGOBSA-N 1 1 345.428 0.948 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)n3ccsc3n2)C1 ZINC000971221813 734367240 /nfs/dbraw/zinc/36/72/40/734367240.db2.gz REMKOVNRUGNWFB-AAEUAGOBSA-N 1 1 345.428 0.948 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cn(C)nc3C)C2)C1=O ZINC000971222007 734367680 /nfs/dbraw/zinc/36/76/80/734367680.db2.gz TXLUMPPBFXMGLJ-GOEBONIOSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3ccon3)C2)C1=O ZINC000971242105 734383674 /nfs/dbraw/zinc/38/36/74/734383674.db2.gz MUNWKCSZIQZKIV-GJZGRUSLSA-N 1 1 332.404 0.537 20 30 ECEDMO CN1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3C#N)C2)C1 ZINC000971267615 734410482 /nfs/dbraw/zinc/41/04/82/734410482.db2.gz OPTOEYUFIPDKDF-MSOLQXFVSA-N 1 1 342.443 0.922 20 30 ECEDMO CN1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3C#N)C2)C1 ZINC000971267615 734410484 /nfs/dbraw/zinc/41/04/84/734410484.db2.gz OPTOEYUFIPDKDF-MSOLQXFVSA-N 1 1 342.443 0.922 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC000971326492 734449490 /nfs/dbraw/zinc/44/94/90/734449490.db2.gz NRPCRUZDQPNAHZ-JKSUJKDBSA-N 1 1 345.447 0.580 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC(C)CC3)[C@H]2C1 ZINC001083215989 734453882 /nfs/dbraw/zinc/45/38/82/734453882.db2.gz BSSWMFPCPZQSPR-JKSUJKDBSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC(C)CC3)[C@H]2C1 ZINC001083215989 734453883 /nfs/dbraw/zinc/45/38/83/734453883.db2.gz BSSWMFPCPZQSPR-JKSUJKDBSA-N 1 1 335.448 0.733 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3ncccc3C#N)CCO2)C1 ZINC001104350405 734526513 /nfs/dbraw/zinc/52/65/13/734526513.db2.gz WBDXWXOCZNFPKE-GDBMZVCRSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3ncc[nH]3)C2)C1=O ZINC000971434502 734588116 /nfs/dbraw/zinc/58/81/16/734588116.db2.gz YCZXMILGUWNKGN-LSDHHAIUSA-N 1 1 345.447 0.662 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078174182 782427252 /nfs/dbraw/zinc/42/72/52/782427252.db2.gz DFXDZLJUDVKCKI-KZNAEPCWSA-N 1 1 327.428 0.151 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C2CC2)n1 ZINC001114939247 734726261 /nfs/dbraw/zinc/72/62/61/734726261.db2.gz FBYNJNDYEXNDIH-MUYACECFSA-N 1 1 344.415 0.903 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C2CC2)n1 ZINC001114939247 734726263 /nfs/dbraw/zinc/72/62/63/734726263.db2.gz FBYNJNDYEXNDIH-MUYACECFSA-N 1 1 344.415 0.903 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC000973173890 738855700 /nfs/dbraw/zinc/85/57/00/738855700.db2.gz BXIKJVSRSIUULG-VQHPVUNQSA-N 1 1 342.443 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC000973173890 738855707 /nfs/dbraw/zinc/85/57/07/738855707.db2.gz BXIKJVSRSIUULG-VQHPVUNQSA-N 1 1 342.443 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2noc(CC)n2)C1 ZINC000971703328 734964432 /nfs/dbraw/zinc/96/44/32/734964432.db2.gz DMVIBZURPUXLGW-GJZGRUSLSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2noc(CC)n2)C1 ZINC000971703328 734964437 /nfs/dbraw/zinc/96/44/37/734964437.db2.gz DMVIBZURPUXLGW-GJZGRUSLSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nccn2C)C1 ZINC000971703672 734964755 /nfs/dbraw/zinc/96/47/55/734964755.db2.gz LADXZOJEJLXCPR-CVEARBPZSA-N 1 1 329.448 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nccn2C)C1 ZINC000971703672 734964759 /nfs/dbraw/zinc/96/47/59/734964759.db2.gz LADXZOJEJLXCPR-CVEARBPZSA-N 1 1 329.448 0.550 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(Nc3ccncc3C#N)CCCC2)C1 ZINC001104379398 735056094 /nfs/dbraw/zinc/05/60/94/735056094.db2.gz QHGPLBGSNBDPOA-MRXNPFEDSA-N 1 1 343.431 0.547 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(Nc3ccncc3C#N)CCCC2)C1 ZINC001104379398 735056097 /nfs/dbraw/zinc/05/60/97/735056097.db2.gz QHGPLBGSNBDPOA-MRXNPFEDSA-N 1 1 343.431 0.547 20 30 ECEDMO C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001098556062 735069032 /nfs/dbraw/zinc/06/90/32/735069032.db2.gz DRKUCEATAXAGAI-UHFFFAOYSA-N 1 1 332.832 0.083 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2nccnc2C(N)=O)CC1 ZINC001098556158 735078677 /nfs/dbraw/zinc/07/86/77/735078677.db2.gz JOEXCEGJXQSUOB-UHFFFAOYSA-N 1 1 347.419 0.051 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001025237030 738890917 /nfs/dbraw/zinc/89/09/17/738890917.db2.gz XCRUXVCANZLPTD-ZIAGYGMSSA-N 1 1 346.435 0.409 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)Nc2ccc(C#N)nc2)C1 ZINC001098215144 735220031 /nfs/dbraw/zinc/22/00/31/735220031.db2.gz HFSGMOBCFWELLG-CZUORRHYSA-N 1 1 331.420 0.979 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1 ZINC000971851122 735236456 /nfs/dbraw/zinc/23/64/56/735236456.db2.gz JDLHWSHSBKGJML-DVOMOZLQSA-N 1 1 341.415 0.511 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnc3n[nH]c(C)c3c2)CC1 ZINC001098562244 735559959 /nfs/dbraw/zinc/55/99/59/735559959.db2.gz VHAOJYWWXJLTBU-UHFFFAOYSA-N 1 1 341.415 0.798 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC001167535334 735577467 /nfs/dbraw/zinc/57/74/67/735577467.db2.gz OMZQPXBBXZBNTQ-HOTGVXAUSA-N 1 1 330.432 0.442 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000987931179 751349135 /nfs/dbraw/zinc/34/91/35/751349135.db2.gz SHCYARUAXVFGGP-KGLIPLIRSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972078270 735618344 /nfs/dbraw/zinc/61/83/44/735618344.db2.gz DWMCLSSXXJPOON-SMDDNHRTSA-N 1 1 332.429 0.789 20 30 ECEDMO COCC#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)CCOC)CC1 ZINC001098564054 735667297 /nfs/dbraw/zinc/66/72/97/735667297.db2.gz KUEQFRDBUBGSAY-MRXNPFEDSA-N 1 1 340.464 0.594 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@H]2CCCO2)C1 ZINC001059847838 751357242 /nfs/dbraw/zinc/35/72/42/751357242.db2.gz WDTRXHDAMZMSQS-IXDOHACOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@H]2CCCO2)C1 ZINC001059847838 751357246 /nfs/dbraw/zinc/35/72/46/751357246.db2.gz WDTRXHDAMZMSQS-IXDOHACOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCCN(C)C3=O)C2)c1 ZINC000972284456 735888731 /nfs/dbraw/zinc/88/87/31/735888731.db2.gz JWISTWNGSVVPFN-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972343499 735976701 /nfs/dbraw/zinc/97/67/01/735976701.db2.gz RWJMPRYWWGCKFU-KFWWJZLASA-N 1 1 344.390 0.851 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC000972361530 736015371 /nfs/dbraw/zinc/01/53/71/736015371.db2.gz GBNRKHRFNNNAQC-GJZGRUSLSA-N 1 1 345.447 0.960 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cccc(C)c3=O)C2)C1 ZINC000972381651 736045940 /nfs/dbraw/zinc/04/59/40/736045940.db2.gz TVBVCWOVEGYLKS-LJQANCHMSA-N 1 1 343.427 0.483 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cccc(C)c3=O)C2)C1 ZINC000972381651 736045946 /nfs/dbraw/zinc/04/59/46/736045946.db2.gz TVBVCWOVEGYLKS-LJQANCHMSA-N 1 1 343.427 0.483 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000972387563 736059905 /nfs/dbraw/zinc/05/99/05/736059905.db2.gz RVKWXIGGVJNVDR-KRWDZBQOSA-N 1 1 348.451 0.921 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000972387563 736059911 /nfs/dbraw/zinc/05/99/11/736059911.db2.gz RVKWXIGGVJNVDR-KRWDZBQOSA-N 1 1 348.451 0.921 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Oc3ccccn3)[C@H]2C1 ZINC001083250346 736072690 /nfs/dbraw/zinc/07/26/90/736072690.db2.gz MGPFPZNLEWTLJA-OWCLPIDISA-N 1 1 329.400 0.784 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCOC ZINC001111490847 736112431 /nfs/dbraw/zinc/11/24/31/736112431.db2.gz CMHUKDLZGXXBRT-FPCVCCKLSA-N 1 1 326.437 0.962 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nnc(C)n3C2)CC1 ZINC001098571031 736150388 /nfs/dbraw/zinc/15/03/88/736150388.db2.gz LVSPRSVUQAUONW-HNNXBMFYSA-N 1 1 347.463 0.620 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435962 736187560 /nfs/dbraw/zinc/18/75/60/736187560.db2.gz SETYLWZQDYGJNQ-GOSISDBHSA-N 1 1 346.431 0.906 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435962 736187563 /nfs/dbraw/zinc/18/75/63/736187563.db2.gz SETYLWZQDYGJNQ-GOSISDBHSA-N 1 1 346.431 0.906 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972437862 736192997 /nfs/dbraw/zinc/19/29/97/736192997.db2.gz MIGWPUPWPAETQL-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)CC)CC1 ZINC001098571776 736194505 /nfs/dbraw/zinc/19/45/05/736194505.db2.gz VQVWAXYNFCXJDC-UHFFFAOYSA-N 1 1 332.466 0.283 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(C)c3)C2)C1 ZINC000972450587 736232674 /nfs/dbraw/zinc/23/26/74/736232674.db2.gz WQAFICLSLOMULY-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(C)c3)C2)C1 ZINC000972450587 736232682 /nfs/dbraw/zinc/23/26/82/736232682.db2.gz WQAFICLSLOMULY-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972454458 736240292 /nfs/dbraw/zinc/24/02/92/736240292.db2.gz WZZCHYRYGNOEJE-GOSISDBHSA-N 1 1 344.415 0.064 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972454458 736240295 /nfs/dbraw/zinc/24/02/95/736240295.db2.gz WZZCHYRYGNOEJE-GOSISDBHSA-N 1 1 344.415 0.064 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncc(OC)cn3)C2)C1 ZINC000972460958 736255609 /nfs/dbraw/zinc/25/56/09/736255609.db2.gz NFOUROZNAGKXHY-QGZVFWFLSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncc(OC)cn3)C2)C1 ZINC000972460958 736255611 /nfs/dbraw/zinc/25/56/11/736255611.db2.gz NFOUROZNAGKXHY-QGZVFWFLSA-N 1 1 330.388 0.425 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001041970202 782516957 /nfs/dbraw/zinc/51/69/57/782516957.db2.gz XYYXKSPXTIMZOL-QGZVFWFLSA-N 1 1 345.443 0.945 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N1CCC([N@@H+](CC)CCO)CC1 ZINC001098572573 736282826 /nfs/dbraw/zinc/28/28/26/736282826.db2.gz PDOSFQNAQBDVCR-UHFFFAOYSA-N 1 1 340.468 0.555 20 30 ECEDMO C#CCC[N@@H+](CCO)C1CCN(C(=O)C2CCN(CC#C)CC2)CC1 ZINC001098572616 736285392 /nfs/dbraw/zinc/28/53/92/736285392.db2.gz QWKYVPGONQAGCF-UHFFFAOYSA-N 1 1 345.487 0.640 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C2CCN(CC#C)CC2)CC1 ZINC001098572616 736285393 /nfs/dbraw/zinc/28/53/93/736285393.db2.gz QWKYVPGONQAGCF-UHFFFAOYSA-N 1 1 345.487 0.640 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972479550 736302057 /nfs/dbraw/zinc/30/20/57/736302057.db2.gz CFETXWFVGRRZLF-QGZVFWFLSA-N 1 1 333.388 0.872 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480566 736306283 /nfs/dbraw/zinc/30/62/83/736306283.db2.gz OWUJRMGILHKQGR-AEFFLSMTSA-N 1 1 348.447 0.987 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480566 736306288 /nfs/dbraw/zinc/30/62/88/736306288.db2.gz OWUJRMGILHKQGR-AEFFLSMTSA-N 1 1 348.447 0.987 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 ZINC000972490059 736361045 /nfs/dbraw/zinc/36/10/45/736361045.db2.gz SONXVJSZCOZEBZ-LJQANCHMSA-N 1 1 344.459 0.906 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 ZINC000972490059 736361047 /nfs/dbraw/zinc/36/10/47/736361047.db2.gz SONXVJSZCOZEBZ-LJQANCHMSA-N 1 1 344.459 0.906 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(C)ncn3)C2)nn1 ZINC000972507285 736464084 /nfs/dbraw/zinc/46/40/84/736464084.db2.gz RXDFLPWZWQLBFJ-HNNXBMFYSA-N 1 1 341.419 0.909 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(C)ncn3)C2)nn1 ZINC000972507285 736464085 /nfs/dbraw/zinc/46/40/85/736464085.db2.gz RXDFLPWZWQLBFJ-HNNXBMFYSA-N 1 1 341.419 0.909 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 ZINC001098575069 736483535 /nfs/dbraw/zinc/48/35/35/736483535.db2.gz AURPIOZTXNWEDZ-UHFFFAOYSA-N 1 1 336.436 0.199 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)CC1 ZINC001098575342 736497217 /nfs/dbraw/zinc/49/72/17/736497217.db2.gz LKJBBCGGSVYYPA-HNNXBMFYSA-N 1 1 337.464 0.716 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972525097 736570915 /nfs/dbraw/zinc/57/09/15/736570915.db2.gz YLWJDILBROISFR-QGZVFWFLSA-N 1 1 332.404 0.126 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972525097 736570918 /nfs/dbraw/zinc/57/09/18/736570918.db2.gz YLWJDILBROISFR-QGZVFWFLSA-N 1 1 332.404 0.126 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001023208313 736585444 /nfs/dbraw/zinc/58/54/44/736585444.db2.gz OVZHBBQHWNVSPE-IXDOHACOSA-N 1 1 341.411 0.064 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)c1 ZINC001023296425 736656114 /nfs/dbraw/zinc/65/61/14/736656114.db2.gz XACLUBCBJKHJLZ-FZMZJTMJSA-N 1 1 343.387 0.133 20 30 ECEDMO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001023295718 736658594 /nfs/dbraw/zinc/65/85/94/736658594.db2.gz HHUABKHQXIRUFT-LBPRGKRZSA-N 1 1 327.392 0.657 20 30 ECEDMO Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001023295718 736658595 /nfs/dbraw/zinc/65/85/95/736658595.db2.gz HHUABKHQXIRUFT-LBPRGKRZSA-N 1 1 327.392 0.657 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)c[nH]1 ZINC001023314175 736671823 /nfs/dbraw/zinc/67/18/23/736671823.db2.gz HWAYOCGPWUIELR-ZDUSSCGKSA-N 1 1 329.404 0.560 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001023319073 736679423 /nfs/dbraw/zinc/67/94/23/736679423.db2.gz SWTMMUPENKIOIB-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023320218 736680516 /nfs/dbraw/zinc/68/05/16/736680516.db2.gz XDEOCFUKGKEDHD-CHWSQXEVSA-N 1 1 331.420 0.805 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@]3(C1)CN(CC#N)CCO3)C2 ZINC000972552279 736698870 /nfs/dbraw/zinc/69/88/70/736698870.db2.gz MRFXTTCUHMZXAT-MAUKXSAKSA-N 1 1 343.431 0.581 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001023363003 736741281 /nfs/dbraw/zinc/74/12/81/736741281.db2.gz YZWBEHGLNVOULQ-KGLIPLIRSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ncnn2C)C1 ZINC001023423619 736806183 /nfs/dbraw/zinc/80/61/83/736806183.db2.gz AWSRVHDQPNAMRO-HOTGVXAUSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ncnn2C)C1 ZINC001023423619 736806184 /nfs/dbraw/zinc/80/61/84/736806184.db2.gz AWSRVHDQPNAMRO-HOTGVXAUSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2csnn2)C1 ZINC001023423750 736806726 /nfs/dbraw/zinc/80/67/26/736806726.db2.gz FGNDUYYMEBVFKP-ZBFHGGJFSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2csnn2)C1 ZINC001023423750 736806729 /nfs/dbraw/zinc/80/67/29/736806729.db2.gz FGNDUYYMEBVFKP-ZBFHGGJFSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2nncs2)C1 ZINC001023421856 736809610 /nfs/dbraw/zinc/80/96/10/736809610.db2.gz IYVKUAQEWKONIY-CABCVRRESA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2nncs2)C1 ZINC001023421856 736809613 /nfs/dbraw/zinc/80/96/13/736809613.db2.gz IYVKUAQEWKONIY-CABCVRRESA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001023443166 736838313 /nfs/dbraw/zinc/83/83/13/736838313.db2.gz GNXUQQRAQOEACJ-GJZGRUSLSA-N 1 1 330.432 0.919 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023448561 736852293 /nfs/dbraw/zinc/85/22/93/736852293.db2.gz RXWXVZUBWHLICM-KBPBESRZSA-N 1 1 333.436 0.950 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001023463268 736874468 /nfs/dbraw/zinc/87/44/68/736874468.db2.gz MSKSFUYOUZCHFB-MRXNPFEDSA-N 1 1 345.443 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001023507429 736932440 /nfs/dbraw/zinc/93/24/40/736932440.db2.gz QSQBAZPUUPEUSN-CQSZACIVSA-N 1 1 327.388 0.994 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001023510276 736941243 /nfs/dbraw/zinc/94/12/43/736941243.db2.gz GUKMPOMRWNBSDB-ZDUSSCGKSA-N 1 1 325.376 0.132 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(COC)on3)C2)C1 ZINC000972585101 736960734 /nfs/dbraw/zinc/96/07/34/736960734.db2.gz HNFFXRBAQPKNOP-QGZVFWFLSA-N 1 1 333.388 0.761 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(COC)on3)C2)C1 ZINC000972585101 736960738 /nfs/dbraw/zinc/96/07/38/736960738.db2.gz HNFFXRBAQPKNOP-QGZVFWFLSA-N 1 1 333.388 0.761 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@H](C)OC)CCO3)nn1 ZINC000972585355 736970456 /nfs/dbraw/zinc/97/04/56/736970456.db2.gz LGRJLQXTKKCTKM-YOEHRIQHSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@H](C)OC)CCO3)nn1 ZINC000972585355 736970457 /nfs/dbraw/zinc/97/04/57/736970457.db2.gz LGRJLQXTKKCTKM-YOEHRIQHSA-N 1 1 349.435 0.416 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)s1 ZINC001023566025 737017995 /nfs/dbraw/zinc/01/79/95/737017995.db2.gz HSSKOQKPCSGPBI-SMDDNHRTSA-N 1 1 347.444 0.629 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+](CCS(C)(=O)=O)C2)c1 ZINC001023583053 737039209 /nfs/dbraw/zinc/03/92/09/737039209.db2.gz WQPPQYAVXUXDSX-HNNXBMFYSA-N 1 1 349.456 0.549 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+](CCS(C)(=O)=O)C2)c1 ZINC001023583053 737039210 /nfs/dbraw/zinc/03/92/10/737039210.db2.gz WQPPQYAVXUXDSX-HNNXBMFYSA-N 1 1 349.456 0.549 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001023588507 737042049 /nfs/dbraw/zinc/04/20/49/737042049.db2.gz BZUWNVRQKVKUJR-RWMBFGLXSA-N 1 1 329.828 0.600 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001023588507 737042053 /nfs/dbraw/zinc/04/20/53/737042053.db2.gz BZUWNVRQKVKUJR-RWMBFGLXSA-N 1 1 329.828 0.600 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC000972602920 737065917 /nfs/dbraw/zinc/06/59/17/737065917.db2.gz SDWOYDKMUGCWMX-QGZVFWFLSA-N 1 1 340.387 0.065 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC000972602920 737065921 /nfs/dbraw/zinc/06/59/21/737065921.db2.gz SDWOYDKMUGCWMX-QGZVFWFLSA-N 1 1 340.387 0.065 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001023627490 737109400 /nfs/dbraw/zinc/10/94/00/737109400.db2.gz KAXSUHXTVPYLER-HUUCEWRRSA-N 1 1 326.462 0.663 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001023649787 737145181 /nfs/dbraw/zinc/14/51/81/737145181.db2.gz ONGGIFKDDIWYDB-AWEZNQCLSA-N 1 1 341.415 0.796 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001023675358 737184713 /nfs/dbraw/zinc/18/47/13/737184713.db2.gz XVFYBZCRNWAKPY-LSDHHAIUSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001023692519 737207386 /nfs/dbraw/zinc/20/73/86/737207386.db2.gz BKTPXMBKBXJIRL-ZIAGYGMSSA-N 1 1 346.431 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001023694822 737209039 /nfs/dbraw/zinc/20/90/39/737209039.db2.gz LVXNSPZFMJUDIB-AWEZNQCLSA-N 1 1 327.388 0.994 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001023699505 737217444 /nfs/dbraw/zinc/21/74/44/737217444.db2.gz FWRPREXGZLREMK-NSHDSACASA-N 1 1 334.376 0.362 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC001023708321 737226774 /nfs/dbraw/zinc/22/67/74/737226774.db2.gz AQYVPHIDMBDPQN-HOCLYGCPSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)nc1 ZINC001023709680 737227850 /nfs/dbraw/zinc/22/78/50/737227850.db2.gz ZBPWVCYSVMIUEJ-GDBMZVCRSA-N 1 1 328.416 0.769 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972642617 737229477 /nfs/dbraw/zinc/22/94/77/737229477.db2.gz KBUQQFZBWGMXGL-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@@H](C)O)CCO3)cn1 ZINC000972644218 737239170 /nfs/dbraw/zinc/23/91/70/737239170.db2.gz WEJRNGPEUGPHIG-KDOFPFPSSA-N 1 1 329.400 0.361 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@@H](C)O)CCO3)cn1 ZINC000972644218 737239174 /nfs/dbraw/zinc/23/91/74/737239174.db2.gz WEJRNGPEUGPHIG-KDOFPFPSSA-N 1 1 329.400 0.361 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn4cc[nH]c34)C2)C1 ZINC000972654010 737260288 /nfs/dbraw/zinc/26/02/88/737260288.db2.gz MDDVPUBIDXQRQX-QGZVFWFLSA-N 1 1 327.388 0.603 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn4cc[nH]c34)C2)C1 ZINC000972654010 737260290 /nfs/dbraw/zinc/26/02/90/737260290.db2.gz MDDVPUBIDXQRQX-QGZVFWFLSA-N 1 1 327.388 0.603 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972658382 737267985 /nfs/dbraw/zinc/26/79/85/737267985.db2.gz FHIDSGQREXOMEO-MAUKXSAKSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067463832 737321033 /nfs/dbraw/zinc/32/10/33/737321033.db2.gz PDBGCWCQQOTNDF-GJZGRUSLSA-N 1 1 325.453 0.836 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN([C@H]3CCNC3=O)C2)CC1 ZINC001023761922 737326167 /nfs/dbraw/zinc/32/61/67/737326167.db2.gz MQCSYELHCRKSGI-WBVHZDCISA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2c(OC)ncnc2OC)C1 ZINC001023775944 737355419 /nfs/dbraw/zinc/35/54/19/737355419.db2.gz MENLWMCNXOFHMW-ZDUSSCGKSA-N 1 1 332.404 0.959 20 30 ECEDMO C=C(Cl)CN1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972676945 737356895 /nfs/dbraw/zinc/35/68/95/737356895.db2.gz MSRZLASCKGZMKZ-GDBMZVCRSA-N 1 1 327.856 0.994 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(CCC)n3)C2)C1 ZINC000972678931 737359834 /nfs/dbraw/zinc/35/98/34/737359834.db2.gz XRFNPFJZKNZBEA-GOSISDBHSA-N 1 1 346.431 0.756 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(CCC)n3)C2)C1 ZINC000972678931 737359839 /nfs/dbraw/zinc/35/98/39/737359839.db2.gz XRFNPFJZKNZBEA-GOSISDBHSA-N 1 1 346.431 0.756 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCCC[NH2+]Cc1cnsn1 ZINC001167678401 737411816 /nfs/dbraw/zinc/41/18/16/737411816.db2.gz YYEBKAVQYRUOSL-ZDUSSCGKSA-N 1 1 325.438 0.605 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC000972756318 737597523 /nfs/dbraw/zinc/59/75/23/737597523.db2.gz KPUVDFBBAOFWBU-ZFWWWQNUSA-N 1 1 342.399 0.128 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3cccn3)C(C)(C)C2)C1=O ZINC000972814391 737725225 /nfs/dbraw/zinc/72/52/25/737725225.db2.gz ULLGLZNPXDJABM-HUUCEWRRSA-N 1 1 345.447 0.497 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cn3cccn3)C(C)(C)C2)C1=O ZINC000972814391 737725227 /nfs/dbraw/zinc/72/52/27/737725227.db2.gz ULLGLZNPXDJABM-HUUCEWRRSA-N 1 1 345.447 0.497 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC[NH2+]Cc1nnc(CC)o1 ZINC001167684455 737750337 /nfs/dbraw/zinc/75/03/37/737750337.db2.gz IPNZVFUAGLBCGS-CYBMUJFWSA-N 1 1 337.424 0.699 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N2CCC2)c1 ZINC001024382054 737929323 /nfs/dbraw/zinc/92/93/23/737929323.db2.gz IFQXHVBZHHZIOM-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N2CCC2)c1 ZINC001024382054 737929325 /nfs/dbraw/zinc/92/93/25/737929325.db2.gz IFQXHVBZHHZIOM-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cccnc2)C1 ZINC000972899423 737991932 /nfs/dbraw/zinc/99/19/32/737991932.db2.gz BAPPKUIRVITCAR-JYJNAYRXSA-N 1 1 326.400 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cccnc2)C1 ZINC000972899423 737991938 /nfs/dbraw/zinc/99/19/38/737991938.db2.gz BAPPKUIRVITCAR-JYJNAYRXSA-N 1 1 326.400 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccnn1C ZINC001024487431 738014845 /nfs/dbraw/zinc/01/48/45/738014845.db2.gz PANWGFOLBKDPSA-AEFFLSMTSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccnn1C ZINC001024487431 738014850 /nfs/dbraw/zinc/01/48/50/738014850.db2.gz PANWGFOLBKDPSA-AEFFLSMTSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccnn1C ZINC001024487431 738014852 /nfs/dbraw/zinc/01/48/52/738014852.db2.gz PANWGFOLBKDPSA-AEFFLSMTSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccnn1C ZINC001024487431 738014857 /nfs/dbraw/zinc/01/48/57/738014857.db2.gz PANWGFOLBKDPSA-AEFFLSMTSA-N 1 1 343.475 0.988 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2cnc(OCC)cn2)CC1 ZINC001098586552 738016504 /nfs/dbraw/zinc/01/65/04/738016504.db2.gz IXQXIEALVICOKA-UHFFFAOYSA-N 1 1 334.420 0.960 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]cn2)C1 ZINC001111773933 738068446 /nfs/dbraw/zinc/06/84/46/738068446.db2.gz WELVSLZSRXIKHD-YJBOKZPZSA-N 1 1 330.432 0.963 20 30 ECEDMO COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2cnc[nH]2)C1 ZINC001111773933 738068448 /nfs/dbraw/zinc/06/84/48/738068448.db2.gz WELVSLZSRXIKHD-YJBOKZPZSA-N 1 1 330.432 0.963 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2cnc[nH]2)C1 ZINC001111773933 738068454 /nfs/dbraw/zinc/06/84/54/738068454.db2.gz WELVSLZSRXIKHD-YJBOKZPZSA-N 1 1 330.432 0.963 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001024559141 738106481 /nfs/dbraw/zinc/10/64/81/738106481.db2.gz TYEHKAMGVFHSPA-AWEZNQCLSA-N 1 1 326.404 0.971 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001024559141 738106482 /nfs/dbraw/zinc/10/64/82/738106482.db2.gz TYEHKAMGVFHSPA-AWEZNQCLSA-N 1 1 326.404 0.971 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)ccn2)CC1 ZINC001098587934 738113529 /nfs/dbraw/zinc/11/35/29/738113529.db2.gz CGKPGRABKONVGR-UHFFFAOYSA-N 1 1 346.431 0.656 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@H]21 ZINC001087291946 738133357 /nfs/dbraw/zinc/13/33/57/738133357.db2.gz CROZCWJZSFZFPA-KBMXLJTQSA-N 1 1 345.447 0.210 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@H]21 ZINC001087291944 738133439 /nfs/dbraw/zinc/13/34/39/738133439.db2.gz CROZCWJZSFZFPA-BMFZPTHFSA-N 1 1 345.447 0.210 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@H]21 ZINC001087293068 738135096 /nfs/dbraw/zinc/13/50/96/738135096.db2.gz XHQZNUKVVUMTEC-BMFZPTHFSA-N 1 1 347.463 0.763 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@@H]21 ZINC001087298407 738157300 /nfs/dbraw/zinc/15/73/00/738157300.db2.gz FPLZASXLZNQFRS-ZTFGCOKTSA-N 1 1 346.475 0.047 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CCO)[C@H]3C2(C)C)nn1 ZINC001087305994 738203638 /nfs/dbraw/zinc/20/36/38/738203638.db2.gz BQKGAVKXXTYTNL-NWANDNLSSA-N 1 1 333.436 0.675 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001024686219 738218955 /nfs/dbraw/zinc/21/89/55/738218955.db2.gz YSKRCFZKCCWPRU-AWEZNQCLSA-N 1 1 348.447 0.635 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CC(=O)NC1=O ZINC001087308073 738230010 /nfs/dbraw/zinc/23/00/10/738230010.db2.gz LBTLBZXVQDYGMR-BYCMXARLSA-N 1 1 334.420 0.329 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001024700494 738230650 /nfs/dbraw/zinc/23/06/50/738230650.db2.gz LNNFUHRJLXXWIZ-ZIAGYGMSSA-N 1 1 334.420 0.482 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001024705056 738232631 /nfs/dbraw/zinc/23/26/31/738232631.db2.gz VHDRIUSGIDXWRX-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CCC)n3)[C@H]2C1 ZINC001083271468 738241496 /nfs/dbraw/zinc/24/14/96/738241496.db2.gz KRBMMRKMMUNFDL-LSDHHAIUSA-N 1 1 332.404 0.365 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CCC)n3)[C@H]2C1 ZINC001083271468 738241499 /nfs/dbraw/zinc/24/14/99/738241499.db2.gz KRBMMRKMMUNFDL-LSDHHAIUSA-N 1 1 332.404 0.365 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(C)c(=O)n3C)C(C)(C)[C@H]21 ZINC001087319033 738286769 /nfs/dbraw/zinc/28/67/69/738286769.db2.gz HNPWODOHZDURHG-YUELXQCFSA-N 1 1 330.432 0.576 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001024814035 738313738 /nfs/dbraw/zinc/31/37/38/738313738.db2.gz MSNVPGZVUKGVSN-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001024916517 738394198 /nfs/dbraw/zinc/39/41/98/738394198.db2.gz OAKLGXZLRUMIID-GFCCVEGCSA-N 1 1 328.380 0.194 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025257205 738943400 /nfs/dbraw/zinc/94/34/00/738943400.db2.gz BQMIXFVDNYIUGR-HOTGVXAUSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025279661 739001702 /nfs/dbraw/zinc/00/17/02/739001702.db2.gz FYUMNOWDFRLFRV-LSDHHAIUSA-N 1 1 346.431 0.407 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1nc(C)n(C)c1=O ZINC001025294760 739014726 /nfs/dbraw/zinc/01/47/26/739014726.db2.gz CINMNQHJEDJQJJ-JKSUJKDBSA-N 1 1 347.463 0.922 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001025296309 739015820 /nfs/dbraw/zinc/01/58/20/739015820.db2.gz JIJKUEMEEDEPAS-GJZGRUSLSA-N 1 1 348.447 0.912 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001025300566 739021898 /nfs/dbraw/zinc/02/18/98/739021898.db2.gz CWQRNSKBPWXUAE-HUUCEWRRSA-N 1 1 346.435 0.409 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)c2ccccn2)C1 ZINC001111999682 739071436 /nfs/dbraw/zinc/07/14/36/739071436.db2.gz WIEBNWSUZDWROT-KSSFIOAISA-N 1 1 328.416 0.968 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)cn2)C1 ZINC001104580274 739096536 /nfs/dbraw/zinc/09/65/36/739096536.db2.gz YZIBASZEXDTZML-DZGCQCFKSA-N 1 1 331.420 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)cn2)C1 ZINC001104580274 739096537 /nfs/dbraw/zinc/09/65/37/739096537.db2.gz YZIBASZEXDTZML-DZGCQCFKSA-N 1 1 331.420 0.933 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cncn2C)nn1 ZINC001028187414 751421147 /nfs/dbraw/zinc/42/11/47/751421147.db2.gz JICQFUXRPHSARP-ZDUSSCGKSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cncn2C)nn1 ZINC001028187414 751421149 /nfs/dbraw/zinc/42/11/49/751421149.db2.gz JICQFUXRPHSARP-ZDUSSCGKSA-N 1 1 329.408 0.592 20 30 ECEDMO C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C[C@H]1C ZINC001104620012 739228608 /nfs/dbraw/zinc/22/86/08/739228608.db2.gz WNIYACBMZPLACG-UNEWFSDZSA-N 1 1 345.447 0.164 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)CC[NH+]2CCOCC2)n1 ZINC001104622674 739254593 /nfs/dbraw/zinc/25/45/93/739254593.db2.gz JVFYWYGDGWBFLC-CQSZACIVSA-N 1 1 346.435 0.638 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@H+]([C@H](C)C(=O)NC)C3)c1 ZINC000982002323 751441974 /nfs/dbraw/zinc/44/19/74/751441974.db2.gz ODABFBQRMLQPSW-CQSZACIVSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)OCC=C)C1 ZINC001112017940 739467393 /nfs/dbraw/zinc/46/73/93/739467393.db2.gz VZOXEYLBFDKYEX-MPGHIAIKSA-N 1 1 335.448 0.850 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)OCC=C)C1 ZINC001112017940 739467396 /nfs/dbraw/zinc/46/73/96/739467396.db2.gz VZOXEYLBFDKYEX-MPGHIAIKSA-N 1 1 335.448 0.850 20 30 ECEDMO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C ZINC001104698812 739498716 /nfs/dbraw/zinc/49/87/16/739498716.db2.gz NMYQWTAPWHKSEV-ZIAGYGMSSA-N 1 1 348.451 0.114 20 30 ECEDMO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1C ZINC001104698812 739498720 /nfs/dbraw/zinc/49/87/20/739498720.db2.gz NMYQWTAPWHKSEV-ZIAGYGMSSA-N 1 1 348.451 0.114 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC23CCN(c2ccnc(C#N)n2)CC3)C1 ZINC001058636291 739542638 /nfs/dbraw/zinc/54/26/38/739542638.db2.gz CRPTUYCOFAVPIF-KBPBESRZSA-N 1 1 340.431 0.775 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001025501301 739661222 /nfs/dbraw/zinc/66/12/22/739661222.db2.gz CJMVISPXINJDNJ-GJZGRUSLSA-N 1 1 330.432 0.861 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2nc3ncccn3n2)C1 ZINC001025571551 739735289 /nfs/dbraw/zinc/73/52/89/739735289.db2.gz RHZCCWFQFXFAKN-UONOGXRCSA-N 1 1 326.404 0.978 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)cc1 ZINC001087380019 739793815 /nfs/dbraw/zinc/79/38/15/739793815.db2.gz MWYSSTJIFRYUHV-FJIDUMEYSA-N 1 1 337.423 0.936 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001025630770 739796908 /nfs/dbraw/zinc/79/69/08/739796908.db2.gz VSSUYWKMQJXCBS-ZIAGYGMSSA-N 1 1 348.451 0.560 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001006527065 751482650 /nfs/dbraw/zinc/48/26/50/751482650.db2.gz BDFVCGWIFWVYPG-SUMWQHHRSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(OCC)C3)C[C@H]21 ZINC001025814098 739996973 /nfs/dbraw/zinc/99/69/73/739996973.db2.gz SFBCFNNYTZAPAH-TUKIQBAZSA-N 1 1 345.487 0.946 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCCO3)C2)nn1 ZINC001098604638 740150280 /nfs/dbraw/zinc/15/02/80/740150280.db2.gz VBJZMYFHOLCGCL-HZPDHXFCSA-N 1 1 349.435 0.523 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C(F)(F)F ZINC001112039682 740254399 /nfs/dbraw/zinc/25/43/99/740254399.db2.gz AVMVBCBIEXNSGW-UTUOFQBUSA-N 1 1 349.353 0.447 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026101952 740377583 /nfs/dbraw/zinc/37/75/83/740377583.db2.gz ZSIDOLKUNFJCIU-IJOLSIAMSA-N 1 1 333.432 0.293 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)C(N)=O)C2 ZINC000982063968 751544419 /nfs/dbraw/zinc/54/44/19/751544419.db2.gz FLKKJBNEXJHMMG-ILXRZTDVSA-N 1 1 335.448 0.766 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)C(N)=O)C2 ZINC000982063968 751544422 /nfs/dbraw/zinc/54/44/22/751544422.db2.gz FLKKJBNEXJHMMG-ILXRZTDVSA-N 1 1 335.448 0.766 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccncc2C#N)C1 ZINC001104794157 740514306 /nfs/dbraw/zinc/51/43/06/740514306.db2.gz AOAGCHNROWTRSL-PBHICJAKSA-N 1 1 345.447 0.743 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccncc2C#N)C1 ZINC001104794157 740514311 /nfs/dbraw/zinc/51/43/11/740514311.db2.gz AOAGCHNROWTRSL-PBHICJAKSA-N 1 1 345.447 0.743 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccnc(C#N)n2)C1 ZINC001104794513 740515317 /nfs/dbraw/zinc/51/53/17/740515317.db2.gz JFPYMGNXZOHXQS-ZIAGYGMSSA-N 1 1 346.435 0.138 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccnc(C#N)n2)C1 ZINC001104794513 740515320 /nfs/dbraw/zinc/51/53/20/740515320.db2.gz JFPYMGNXZOHXQS-ZIAGYGMSSA-N 1 1 346.435 0.138 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC000973925335 740606391 /nfs/dbraw/zinc/60/63/91/740606391.db2.gz VKXYISQHDGEPPA-XHSDSOJGSA-N 1 1 343.431 0.053 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC000973925335 740606394 /nfs/dbraw/zinc/60/63/94/740606394.db2.gz VKXYISQHDGEPPA-XHSDSOJGSA-N 1 1 343.431 0.053 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)c4cnon4)C3)C2)C1=O ZINC000982076525 751568777 /nfs/dbraw/zinc/56/87/77/751568777.db2.gz GCGSZRBMEIZYQI-AWEZNQCLSA-N 1 1 345.403 0.395 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2ccon2)C1 ZINC000973971195 740700714 /nfs/dbraw/zinc/70/07/14/740700714.db2.gz ROGOKMCKDFDSAJ-ZNMIVQPWSA-N 1 1 330.388 0.078 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2ccon2)C1 ZINC000973971195 740700719 /nfs/dbraw/zinc/70/07/19/740700719.db2.gz ROGOKMCKDFDSAJ-ZNMIVQPWSA-N 1 1 330.388 0.078 20 30 ECEDMO N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001059856840 751573218 /nfs/dbraw/zinc/57/32/18/751573218.db2.gz ANBDQKWWOLMIFK-SFDCQRBFSA-N 1 1 342.403 0.271 20 30 ECEDMO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001104862344 740749106 /nfs/dbraw/zinc/74/91/06/740749106.db2.gz JDHYSTQTRONOBW-UONOGXRCSA-N 1 1 330.436 0.903 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cnc(C#N)cn1 ZINC001104862856 740754197 /nfs/dbraw/zinc/75/41/97/740754197.db2.gz QVTCMGFKSHIQMU-ZFWWWQNUSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cnc(C#N)cn1 ZINC001104862856 740754200 /nfs/dbraw/zinc/75/42/00/740754200.db2.gz QVTCMGFKSHIQMU-ZFWWWQNUSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC000974029978 740804760 /nfs/dbraw/zinc/80/47/60/740804760.db2.gz VELSJESHVKHNHR-XHSDSOJGSA-N 1 1 328.416 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC000974029978 740804762 /nfs/dbraw/zinc/80/47/62/740804762.db2.gz VELSJESHVKHNHR-XHSDSOJGSA-N 1 1 328.416 0.500 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000974046096 740836017 /nfs/dbraw/zinc/83/60/17/740836017.db2.gz WJUWYAQSAUHQGH-NZBPQXDJSA-N 1 1 343.431 0.994 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)c[nH]1 ZINC000974049345 740839778 /nfs/dbraw/zinc/83/97/78/740839778.db2.gz KKSOOQIJUKWKLC-IYOUNJFTSA-N 1 1 341.415 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC000974051418 740843495 /nfs/dbraw/zinc/84/34/95/740843495.db2.gz APDKTCGFPHYYGX-XQQFMLRXSA-N 1 1 346.387 0.158 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC000974051418 740843497 /nfs/dbraw/zinc/84/34/97/740843497.db2.gz APDKTCGFPHYYGX-XQQFMLRXSA-N 1 1 346.387 0.158 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000974174933 741061380 /nfs/dbraw/zinc/06/13/80/741061380.db2.gz RNNGIQUICPPNDN-MJBXVCDLSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000974174933 741061383 /nfs/dbraw/zinc/06/13/83/741061383.db2.gz RNNGIQUICPPNDN-MJBXVCDLSA-N 1 1 329.404 0.193 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)nc1 ZINC001087405407 741119215 /nfs/dbraw/zinc/11/92/15/741119215.db2.gz IKBHGUKFMFJVPY-CUSZFKRNSA-N 1 1 325.412 0.838 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)[C@@H](C)C1 ZINC001105048312 741241607 /nfs/dbraw/zinc/24/16/07/741241607.db2.gz VGGUWEXAIKANSL-KBPBESRZSA-N 1 1 330.436 0.761 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCn1nc(C)cc1C ZINC001038369061 741255308 /nfs/dbraw/zinc/25/53/08/741255308.db2.gz SUZKINRGDMRRMG-MSOLQXFVSA-N 1 1 343.475 0.788 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCn1nc(C)cc1C ZINC001038369061 741255309 /nfs/dbraw/zinc/25/53/09/741255309.db2.gz SUZKINRGDMRRMG-MSOLQXFVSA-N 1 1 343.475 0.788 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC000974344585 741358742 /nfs/dbraw/zinc/35/87/42/741358742.db2.gz BOLXVBLVIGOVTC-VZEFYGNVSA-N 1 1 340.427 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC000974344584 741358996 /nfs/dbraw/zinc/35/89/96/741358996.db2.gz BOLXVBLVIGOVTC-VDNDLQMASA-N 1 1 340.427 0.638 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)C1 ZINC000982146735 751644199 /nfs/dbraw/zinc/64/41/99/751644199.db2.gz BWFCHFCRCVKUSD-UHFFFAOYSA-N 1 1 328.416 0.899 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256567 741571283 /nfs/dbraw/zinc/57/12/83/741571283.db2.gz JLNFKBRHMDGYIK-MRXNPFEDSA-N 1 1 330.436 0.259 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC000974405870 741585208 /nfs/dbraw/zinc/58/52/08/741585208.db2.gz QBUPVGHBDCORPB-RRQGHBQHSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3nc(CC)c[nH]3)C2)nn1 ZINC001105262192 741588888 /nfs/dbraw/zinc/58/88/88/741588888.db2.gz MXOMVQBYPVBXFN-UHFFFAOYSA-N 1 1 329.408 0.465 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000296864854 741602086 /nfs/dbraw/zinc/60/20/86/741602086.db2.gz ZCXABGZYGIESSE-VBNZEHGJSA-N 1 1 330.384 0.719 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4cccn4cn3)C2)nn1 ZINC001105268395 741610841 /nfs/dbraw/zinc/61/08/41/741610841.db2.gz MCSHCZRVLFLNPI-UHFFFAOYSA-N 1 1 337.387 0.899 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CO[C@@H](C)C3)C2)nn1 ZINC001105270973 741615720 /nfs/dbraw/zinc/61/57/20/741615720.db2.gz RLDWYBIQPUMBSG-UONOGXRCSA-N 1 1 349.435 0.379 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4nccn43)C2)nn1 ZINC001105281133 741637840 /nfs/dbraw/zinc/63/78/40/741637840.db2.gz WLMKYHDTOOAECR-UHFFFAOYSA-N 1 1 337.387 0.899 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000974410849 741638118 /nfs/dbraw/zinc/63/81/18/741638118.db2.gz ZBTHPHBXKZPEQB-RBZJEDDUSA-N 1 1 335.448 0.683 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)ccc3=O)C2)nn1 ZINC001105281025 741639925 /nfs/dbraw/zinc/63/99/25/741639925.db2.gz QAZQLGRHLKOAER-UHFFFAOYSA-N 1 1 342.403 0.340 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OCC)no3)C2)nn1 ZINC001105285109 741644448 /nfs/dbraw/zinc/64/44/48/741644448.db2.gz DOVPVDSQNSLBBU-UHFFFAOYSA-N 1 1 332.364 0.638 20 30 ECEDMO CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1ccnc(C#N)n1 ZINC001105288442 741649105 /nfs/dbraw/zinc/64/91/05/741649105.db2.gz MPRSYTSDXCXAGX-KBPBESRZSA-N 1 1 330.436 0.665 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3OC)C2)nn1 ZINC001105296954 741674022 /nfs/dbraw/zinc/67/40/22/741674022.db2.gz DHMIAZOIJFJDQS-UHFFFAOYSA-N 1 1 345.407 0.383 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1ccc(C#N)nn1 ZINC001105302452 741695613 /nfs/dbraw/zinc/69/56/13/741695613.db2.gz LXMZCMMYHMIHPK-BPLDGKMQSA-N 1 1 346.435 0.620 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1ccc(C#N)nn1 ZINC001105302452 741695616 /nfs/dbraw/zinc/69/56/16/741695616.db2.gz LXMZCMMYHMIHPK-BPLDGKMQSA-N 1 1 346.435 0.620 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001026744053 741751508 /nfs/dbraw/zinc/75/15/08/741751508.db2.gz CXGGGTPVVLWSRR-ZFWWWQNUSA-N 1 1 331.420 0.177 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058730632 741762658 /nfs/dbraw/zinc/76/26/58/741762658.db2.gz CIHHNZAHEUFLSV-IIDMSEBBSA-N 1 1 339.480 0.866 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058731309 741763208 /nfs/dbraw/zinc/76/32/08/741763208.db2.gz YWQANDDBOPFFTN-YJBOKZPZSA-N 1 1 339.480 0.868 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974473180 741778718 /nfs/dbraw/zinc/77/87/18/741778718.db2.gz RRQBBWWKJBWUGB-SMDDNHRTSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974473180 741778720 /nfs/dbraw/zinc/77/87/20/741778720.db2.gz RRQBBWWKJBWUGB-SMDDNHRTSA-N 1 1 331.420 0.803 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)nn1 ZINC001105326936 741804938 /nfs/dbraw/zinc/80/49/38/741804938.db2.gz MKMPLHWRVZDWLZ-QGZVFWFLSA-N 1 1 346.479 0.895 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3nnn(CC)c3CC)C2)nn1 ZINC001105327006 741807335 /nfs/dbraw/zinc/80/73/35/741807335.db2.gz OFYKMZCJBAJICD-UHFFFAOYSA-N 1 1 344.423 0.425 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCC[C@H]3C)C2)nn1 ZINC001105329928 741832413 /nfs/dbraw/zinc/83/24/13/741832413.db2.gz FMQQIADPUAKCPM-CJNGLKHVSA-N 1 1 349.435 0.379 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974534876 741877499 /nfs/dbraw/zinc/87/74/99/741877499.db2.gz BWANPFHWKFTBGZ-CABCVRRESA-N 1 1 342.399 0.993 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C(C)(C)C1 ZINC000974649919 741955368 /nfs/dbraw/zinc/95/53/68/741955368.db2.gz AZMWLPFJHVGFBQ-HNNXBMFYSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C(C)(C)C1 ZINC000974649919 741955369 /nfs/dbraw/zinc/95/53/69/741955369.db2.gz AZMWLPFJHVGFBQ-HNNXBMFYSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974639623 741960605 /nfs/dbraw/zinc/96/06/05/741960605.db2.gz ITIXGDGUUGZQRI-HUUCEWRRSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCN2c2ncccn2)C(C)(C)C1 ZINC000974674707 741986950 /nfs/dbraw/zinc/98/69/50/741986950.db2.gz IVFIUTSUHBSHQM-GJZGRUSLSA-N 1 1 327.432 0.905 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3ccc(OC)nn32)C(C)(C)C1 ZINC000974742790 742141262 /nfs/dbraw/zinc/14/12/62/742141262.db2.gz ONDCAUXWINYYJW-CYBMUJFWSA-N 1 1 327.388 0.811 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccc(OC)nn32)C(C)(C)C1 ZINC000974742790 742141265 /nfs/dbraw/zinc/14/12/65/742141265.db2.gz ONDCAUXWINYYJW-CYBMUJFWSA-N 1 1 327.388 0.811 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C(C)(C)C1 ZINC000974769574 742160858 /nfs/dbraw/zinc/16/08/58/742160858.db2.gz ZOUPYZPINXXYMB-CQSZACIVSA-N 1 1 342.399 0.876 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C(C)(C)C1 ZINC000974769574 742160859 /nfs/dbraw/zinc/16/08/59/742160859.db2.gz ZOUPYZPINXXYMB-CQSZACIVSA-N 1 1 342.399 0.876 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)C(C)(C)C1 ZINC000974769949 742161811 /nfs/dbraw/zinc/16/18/11/742161811.db2.gz CCOYFIDEYLPYGB-MRXNPFEDSA-N 1 1 345.443 0.958 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cncn3C)C(C)(C)C2)C1=O ZINC000974772323 742166014 /nfs/dbraw/zinc/16/60/14/742166014.db2.gz FCKDZRDKZYCCHM-ZFWWWQNUSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cncn3C)C(C)(C)C2)C1=O ZINC000974772323 742166016 /nfs/dbraw/zinc/16/60/16/742166016.db2.gz FCKDZRDKZYCCHM-ZFWWWQNUSA-N 1 1 345.447 0.647 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000974859822 742275594 /nfs/dbraw/zinc/27/55/94/742275594.db2.gz DAHALIDBYSVQQP-OAHLLOKOSA-N 1 1 341.415 0.795 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C(C)(C)C1 ZINC000974876844 742280813 /nfs/dbraw/zinc/28/08/13/742280813.db2.gz JZDDPCZFUXLNCZ-CABCVRRESA-N 1 1 329.448 0.999 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C(C)(C)C1 ZINC000974871236 742284621 /nfs/dbraw/zinc/28/46/21/742284621.db2.gz KHUOJTPJWAQXAA-DLBZAZTESA-N 1 1 333.476 0.947 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)C(C)(C)C1 ZINC000974889186 742308329 /nfs/dbraw/zinc/30/83/29/742308329.db2.gz DHMDHAVOERITPW-AWEZNQCLSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nn(C)c3OC)C2)nn1 ZINC001105337171 742441758 /nfs/dbraw/zinc/44/17/58/742441758.db2.gz USCKYRLXLGBAKP-UHFFFAOYSA-N 1 1 345.407 0.301 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CC2(C)C)C1 ZINC000975025159 742442933 /nfs/dbraw/zinc/44/29/33/742442933.db2.gz IKOJJWIZLGGJHZ-QWHCGFSZSA-N 1 1 333.432 0.975 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)CC2(C)C)C1 ZINC000975025159 742442936 /nfs/dbraw/zinc/44/29/36/742442936.db2.gz IKOJJWIZLGGJHZ-QWHCGFSZSA-N 1 1 333.432 0.975 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 ZINC000975109782 742491882 /nfs/dbraw/zinc/49/18/82/742491882.db2.gz GCQLNUZYMLFOSR-ZDUSSCGKSA-N 1 1 334.420 0.100 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000975212543 742610013 /nfs/dbraw/zinc/61/00/13/742610013.db2.gz GEGAWRHPSDNLCM-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3c(C)n[nH]c3C)CC2)C1=O ZINC000982237780 751748793 /nfs/dbraw/zinc/74/87/93/751748793.db2.gz GKNNFVDMVUFBCI-HNNXBMFYSA-N 1 1 345.447 0.961 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3c(C)n[nH]c3C)CC2)C1=O ZINC000982237780 751748802 /nfs/dbraw/zinc/74/88/02/751748802.db2.gz GKNNFVDMVUFBCI-HNNXBMFYSA-N 1 1 345.447 0.961 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000975281967 742690969 /nfs/dbraw/zinc/69/09/69/742690969.db2.gz OIXYRZAIARCVSY-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3cn(CC)nn3)C2)cn1 ZINC001028935375 742914343 /nfs/dbraw/zinc/91/43/43/742914343.db2.gz BLKYXQBIKHJJJQ-CQSZACIVSA-N 1 1 338.415 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3cn(CC)nn3)C2)cn1 ZINC001028935375 742914348 /nfs/dbraw/zinc/91/43/48/742914348.db2.gz BLKYXQBIKHJJJQ-CQSZACIVSA-N 1 1 338.415 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001028937034 742921759 /nfs/dbraw/zinc/92/17/59/742921759.db2.gz BFGAPZWBJQGFOO-KBPBESRZSA-N 1 1 340.427 0.782 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001075752701 743109444 /nfs/dbraw/zinc/10/94/44/743109444.db2.gz LBGPQBGXTOMLJZ-HRCADAONSA-N 1 1 340.383 0.699 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001075752701 743109452 /nfs/dbraw/zinc/10/94/52/743109452.db2.gz LBGPQBGXTOMLJZ-HRCADAONSA-N 1 1 340.383 0.699 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC000997101943 743237227 /nfs/dbraw/zinc/23/72/27/743237227.db2.gz MUHVULVFCZBSKU-CYBMUJFWSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001027234031 743245881 /nfs/dbraw/zinc/24/58/81/743245881.db2.gz OJCRHEGXLPQKLJ-WBVHZDCISA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCOC1)C2 ZINC000997203591 743348734 /nfs/dbraw/zinc/34/87/34/743348734.db2.gz RXSXWYIZQULEMP-QEOTZNIISA-N 1 1 345.443 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCOC1)C2 ZINC000997203591 743348735 /nfs/dbraw/zinc/34/87/35/743348735.db2.gz RXSXWYIZQULEMP-QEOTZNIISA-N 1 1 345.443 0.369 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)CCCN(C)c1ccc(C#N)nn1 ZINC001112144637 743350820 /nfs/dbraw/zinc/35/08/20/743350820.db2.gz CZXKHYQIUMUBHI-UHFFFAOYSA-N 1 1 327.392 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC000975854313 743356103 /nfs/dbraw/zinc/35/61/03/743356103.db2.gz XWTCSPVOCDWGGV-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC000975854313 743356114 /nfs/dbraw/zinc/35/61/14/743356114.db2.gz XWTCSPVOCDWGGV-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC000975854308 743356397 /nfs/dbraw/zinc/35/63/97/743356397.db2.gz XVJIXFAPWGCFMH-HOCLYGCPSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC000975854308 743356407 /nfs/dbraw/zinc/35/64/07/743356407.db2.gz XVJIXFAPWGCFMH-HOCLYGCPSA-N 1 1 343.431 0.618 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)OCC=C)C2)nn1 ZINC001105381085 743438298 /nfs/dbraw/zinc/43/82/98/743438298.db2.gz MWNKBWWEXRLNJY-AWEZNQCLSA-N 1 1 349.435 0.545 20 30 ECEDMO C[NH+]=C(NCCN1CCOCC1(C)C)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000262023050 743478185 /nfs/dbraw/zinc/47/81/85/743478185.db2.gz ZECANZCWDWOZQG-GDBMZVCRSA-N 1 1 337.512 0.745 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCO1)C2 ZINC000997366452 743537873 /nfs/dbraw/zinc/53/78/73/743537873.db2.gz VNQFUCYJPZFJKE-JSRQGNBESA-N 1 1 345.443 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCO1)C2 ZINC000997366452 743537878 /nfs/dbraw/zinc/53/78/78/743537878.db2.gz VNQFUCYJPZFJKE-JSRQGNBESA-N 1 1 345.443 0.511 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001006796312 751842615 /nfs/dbraw/zinc/84/26/15/751842615.db2.gz JSVSBFZCQGUNRW-GDBMZVCRSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001006796312 751842624 /nfs/dbraw/zinc/84/26/24/751842624.db2.gz JSVSBFZCQGUNRW-GDBMZVCRSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnsn3)C2)C1=O ZINC001027315651 743631151 /nfs/dbraw/zinc/63/11/51/743631151.db2.gz BTFPMJNVXVPLSG-TZMCWYRMSA-N 1 1 349.460 0.861 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000997634704 743723554 /nfs/dbraw/zinc/72/35/54/743723554.db2.gz FXFYMJNGBRPAGW-INIZCTEOSA-N 1 1 345.447 0.567 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CCN(CC#N)CC1 ZINC000997691603 743756208 /nfs/dbraw/zinc/75/62/08/743756208.db2.gz KIOIBMAMUBBQQL-QBPRILJRSA-N 1 1 332.448 0.590 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000976289517 743791853 /nfs/dbraw/zinc/79/18/53/743791853.db2.gz ZQPTULKHGCOCLN-LGFJLYTPSA-N 1 1 333.432 0.245 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(F)F ZINC000997768250 743799654 /nfs/dbraw/zinc/79/96/54/743799654.db2.gz AKBNHTDWRHWLJS-VOAKCMCISA-N 1 1 325.359 0.597 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(F)F ZINC000997768250 743799657 /nfs/dbraw/zinc/79/96/57/743799657.db2.gz AKBNHTDWRHWLJS-VOAKCMCISA-N 1 1 325.359 0.597 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn[nH]c1 ZINC000997769881 743800415 /nfs/dbraw/zinc/80/04/15/743800415.db2.gz QIYYGOWIUIXQBR-UGUYLWEFSA-N 1 1 341.415 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn[nH]c1 ZINC000997769881 743800417 /nfs/dbraw/zinc/80/04/17/743800417.db2.gz QIYYGOWIUIXQBR-UGUYLWEFSA-N 1 1 341.415 0.369 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001006823300 751874200 /nfs/dbraw/zinc/87/42/00/751874200.db2.gz CXUYRKXIUGCHDU-SUMWQHHRSA-N 1 1 340.427 0.734 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnn(C)n2)CC1 ZINC000998096032 743976104 /nfs/dbraw/zinc/97/61/04/743976104.db2.gz YWTRVBWDBKRYPZ-KGLIPLIRSA-N 1 1 334.424 0.129 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC000998116525 743986255 /nfs/dbraw/zinc/98/62/55/743986255.db2.gz OTKFCIJFJMSXKD-YESZJQIVSA-N 1 1 349.475 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nc1 ZINC000998170634 744026599 /nfs/dbraw/zinc/02/65/99/744026599.db2.gz RUHJBJVKMATVNG-ZFWWWQNUSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N(CC)[C@H]2CCC[N@H+](CC(N)=O)CC2)nc1 ZINC000998177818 744031527 /nfs/dbraw/zinc/03/15/27/744031527.db2.gz WJDPYNJDLREEFB-HNNXBMFYSA-N 1 1 328.416 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N(CC)[C@H]2CCC[N@@H+](CC(N)=O)CC2)nc1 ZINC000998177818 744031529 /nfs/dbraw/zinc/03/15/29/744031529.db2.gz WJDPYNJDLREEFB-HNNXBMFYSA-N 1 1 328.416 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC000998190050 744040464 /nfs/dbraw/zinc/04/04/64/744040464.db2.gz SAFQUJDAWMQQCJ-IAGOWNOFSA-N 1 1 335.448 0.570 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001058770679 744044430 /nfs/dbraw/zinc/04/44/30/744044430.db2.gz AGOWFYASYGGICI-OAHLLOKOSA-N 1 1 337.464 0.622 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001006833833 751886841 /nfs/dbraw/zinc/88/68/41/751886841.db2.gz LDRQITIAPWCGNA-ZFWWWQNUSA-N 1 1 340.427 0.591 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]nn2)CC[C@H]1C(F)(F)F ZINC000998299052 744106590 /nfs/dbraw/zinc/10/65/90/744106590.db2.gz CIDAHYNUEUWTKW-VXGBXAGGSA-N 1 1 329.326 0.740 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976586361 744109907 /nfs/dbraw/zinc/10/99/07/744109907.db2.gz OJGIMDNVEMSQEP-ROIMOXLHSA-N 1 1 347.459 0.492 20 30 ECEDMO C[N@H+](CC(=O)N1CCOCC1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405122 744202369 /nfs/dbraw/zinc/20/23/69/744202369.db2.gz BVMNZTCSKJEXEA-MRXNPFEDSA-N 1 1 333.432 0.181 20 30 ECEDMO C[N@@H+](CC(=O)N1CCOCC1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405122 744202373 /nfs/dbraw/zinc/20/23/73/744202373.db2.gz BVMNZTCSKJEXEA-MRXNPFEDSA-N 1 1 333.432 0.181 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC000998627307 744258046 /nfs/dbraw/zinc/25/80/46/744258046.db2.gz ZAPHPYKRYPGXSV-NCOADZHNSA-N 1 1 329.444 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(F)c[nH]3)C[C@H]21 ZINC000976735756 744260696 /nfs/dbraw/zinc/26/06/96/744260696.db2.gz LBTWXTLMWKNRCM-LQKXBSAESA-N 1 1 344.390 0.438 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(F)c[nH]3)C[C@H]21 ZINC000976735756 744260701 /nfs/dbraw/zinc/26/07/01/744260701.db2.gz LBTWXTLMWKNRCM-LQKXBSAESA-N 1 1 344.390 0.438 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncoc3C)C[C@H]21 ZINC000976740240 744265824 /nfs/dbraw/zinc/26/58/24/744265824.db2.gz MUCJXIQJGIDUFM-KNCOVGOOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncoc3C)C[C@H]21 ZINC000976740240 744265827 /nfs/dbraw/zinc/26/58/27/744265827.db2.gz MUCJXIQJGIDUFM-KNCOVGOOSA-N 1 1 342.399 0.267 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000998754287 744316051 /nfs/dbraw/zinc/31/60/51/744316051.db2.gz OKJGXHQQVBYMAU-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]cnc1C ZINC000976809567 744354465 /nfs/dbraw/zinc/35/44/65/744354465.db2.gz KBMZWDDTGPTREG-KNCOVGOOSA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]cnc1C ZINC000976809567 744354468 /nfs/dbraw/zinc/35/44/68/744354468.db2.gz KBMZWDDTGPTREG-KNCOVGOOSA-N 1 1 341.415 0.002 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1C ZINC000998852249 744371508 /nfs/dbraw/zinc/37/15/08/744371508.db2.gz ZTMQRVJARMSVRU-CYBMUJFWSA-N 1 1 341.419 0.972 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC000998851369 744371605 /nfs/dbraw/zinc/37/16/05/744371605.db2.gz WICVMEMWZAUFPX-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N(C)C ZINC001028249726 751921457 /nfs/dbraw/zinc/92/14/57/751921457.db2.gz DSMBTAKESUYDJO-AWEZNQCLSA-N 1 1 346.431 0.929 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC001028249726 751921461 /nfs/dbraw/zinc/92/14/61/751921461.db2.gz DSMBTAKESUYDJO-AWEZNQCLSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2nccn2C)C1 ZINC001027446853 744488166 /nfs/dbraw/zinc/48/81/66/744488166.db2.gz VFABSNWUVTTWDD-IRXDYDNUSA-N 1 1 343.475 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2nccn2C)C1 ZINC001027446853 744488167 /nfs/dbraw/zinc/48/81/67/744488167.db2.gz VFABSNWUVTTWDD-IRXDYDNUSA-N 1 1 343.475 0.941 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]32)cc1 ZINC000976937595 744492840 /nfs/dbraw/zinc/49/28/40/744492840.db2.gz YTIHOLZKYHSIIL-XDNAFOTISA-N 1 1 337.423 0.949 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000977024094 744576805 /nfs/dbraw/zinc/57/68/05/744576805.db2.gz AFRZSKYOIXSIBY-UIBIWLFHSA-N 1 1 345.443 0.082 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000977024094 744576808 /nfs/dbraw/zinc/57/68/08/744576808.db2.gz AFRZSKYOIXSIBY-UIBIWLFHSA-N 1 1 345.443 0.082 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)c1 ZINC000999318889 744622926 /nfs/dbraw/zinc/62/29/26/744622926.db2.gz GRBJRUSDNFHDDK-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001027480546 744714019 /nfs/dbraw/zinc/71/40/19/744714019.db2.gz JLFZGBBJGIJTAI-ZDUSSCGKSA-N 1 1 328.372 0.582 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000977209060 744781254 /nfs/dbraw/zinc/78/12/54/744781254.db2.gz OTSYSMGRIGXNNY-HSMHQDCBSA-N 1 1 341.415 0.271 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cccnn3)C(C)(C)C2)C1=O ZINC000977387554 744908610 /nfs/dbraw/zinc/90/86/10/744908610.db2.gz GVLQAMBTUOUUKQ-HUUCEWRRSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cccnn3)C(C)(C)C2)C1=O ZINC000977387554 744908614 /nfs/dbraw/zinc/90/86/14/744908614.db2.gz GVLQAMBTUOUUKQ-HUUCEWRRSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnco3)C2)C1=O ZINC001027513943 744913322 /nfs/dbraw/zinc/91/33/22/744913322.db2.gz XOAMESUKWUEJGU-ZIAGYGMSSA-N 1 1 332.404 0.998 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001027515186 744920699 /nfs/dbraw/zinc/92/06/99/744920699.db2.gz WGNMSBHXMNSLMY-CQSZACIVSA-N 1 1 327.388 0.052 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn(C)nc3COC)C[C@@]2(C)C1 ZINC000982320733 751956710 /nfs/dbraw/zinc/95/67/10/751956710.db2.gz VHPKZXZOJIPMIN-HDICACEKSA-N 1 1 330.432 0.984 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000977415849 744947103 /nfs/dbraw/zinc/94/71/03/744947103.db2.gz ADQAVBSXFCLISO-GFCCVEGCSA-N 1 1 336.436 0.720 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3cn(C)nn3)C2)nn1 ZINC001105382387 744962842 /nfs/dbraw/zinc/96/28/42/744962842.db2.gz HGJKIQJBTMRHJO-UHFFFAOYSA-N 1 1 344.423 0.088 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001027521195 744965734 /nfs/dbraw/zinc/96/57/34/744965734.db2.gz ZRZHTOADFSPEBQ-OAHLLOKOSA-N 1 1 330.436 0.889 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000999901227 745036758 /nfs/dbraw/zinc/03/67/58/745036758.db2.gz FBAUJUYQRNUSOD-SUMWQHHRSA-N 1 1 325.412 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C)n1 ZINC000977469847 745058334 /nfs/dbraw/zinc/05/83/34/745058334.db2.gz XCXJVBUODZMRGD-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C)n1 ZINC000977469847 745058337 /nfs/dbraw/zinc/05/83/37/745058337.db2.gz XCXJVBUODZMRGD-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 ZINC000999938380 745072167 /nfs/dbraw/zinc/07/21/67/745072167.db2.gz LMFRKGYHSBXMDU-OAHLLOKOSA-N 1 1 347.419 0.996 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnns3)nn2)C1 ZINC000999954050 745092807 /nfs/dbraw/zinc/09/28/07/745092807.db2.gz CWIRDYCPIWFWMP-GFCCVEGCSA-N 1 1 331.405 0.330 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 ZINC000999956080 745095768 /nfs/dbraw/zinc/09/57/68/745095768.db2.gz NBLIESOKJDVOGP-GJZGRUSLSA-N 1 1 335.408 0.133 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999960093 745101205 /nfs/dbraw/zinc/10/12/05/745101205.db2.gz BMQZNIDWYWLSEC-HZPDHXFCSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999960093 745101209 /nfs/dbraw/zinc/10/12/09/745101209.db2.gz BMQZNIDWYWLSEC-HZPDHXFCSA-N 1 1 332.452 0.811 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000977498712 745102585 /nfs/dbraw/zinc/10/25/85/745102585.db2.gz WQSUKKCPICVGHM-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999961196 745103551 /nfs/dbraw/zinc/10/35/51/745103551.db2.gz IHGIIRNLPCHRIU-CVEARBPZSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999961196 745103556 /nfs/dbraw/zinc/10/35/56/745103556.db2.gz IHGIIRNLPCHRIU-CVEARBPZSA-N 1 1 330.436 0.259 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 ZINC000999964814 745109738 /nfs/dbraw/zinc/10/97/38/745109738.db2.gz FXIUUTWYEHBUIC-AWEZNQCLSA-N 1 1 349.826 0.941 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 ZINC000999964814 745109741 /nfs/dbraw/zinc/10/97/41/745109741.db2.gz FXIUUTWYEHBUIC-AWEZNQCLSA-N 1 1 349.826 0.941 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)no3)nn2)C1 ZINC000999969098 745114972 /nfs/dbraw/zinc/11/49/72/745114972.db2.gz VGQOXLHQTMPKPM-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3snnc3C)nn2)C1 ZINC000999969595 745116058 /nfs/dbraw/zinc/11/60/58/745116058.db2.gz XEILJUQXFFSVJO-LBPRGKRZSA-N 1 1 331.405 0.248 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)n1 ZINC001027531925 745118145 /nfs/dbraw/zinc/11/81/45/745118145.db2.gz SFUXNWDPFHRKJX-NSHDSACASA-N 1 1 345.432 0.880 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc[nH]c(=O)c3)nn2)C1 ZINC000999970757 745118689 /nfs/dbraw/zinc/11/86/89/745118689.db2.gz JINSOJHHXLZARM-HNNXBMFYSA-N 1 1 340.387 0.579 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3COCCN3C)nn2)C1 ZINC000999973570 745121843 /nfs/dbraw/zinc/12/18/43/745121843.db2.gz GJFVSPNJKPBSAW-JKSUJKDBSA-N 1 1 348.451 0.048 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nnn(C)c3C)nn2)C1 ZINC000999973309 745122025 /nfs/dbraw/zinc/12/20/25/745122025.db2.gz YZIFEIWOMCQKGH-ZDUSSCGKSA-N 1 1 330.396 0.078 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 ZINC000999976308 745125529 /nfs/dbraw/zinc/12/55/29/745125529.db2.gz TXFOWMOGAYHPKP-RISCZKNCSA-N 1 1 343.391 0.035 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCNC(=O)C3)nn2)C1 ZINC000999977218 745125987 /nfs/dbraw/zinc/12/59/87/745125987.db2.gz ARAQXOPCPIXKAP-DZGCQCFKSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3=CCOCC3)nn2)C1 ZINC000999980865 745131874 /nfs/dbraw/zinc/13/18/74/745131874.db2.gz OLMKZVRHZTYLJN-INIZCTEOSA-N 1 1 329.404 0.511 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnn3CC)nn2)C1 ZINC000999980953 745132099 /nfs/dbraw/zinc/13/20/99/745132099.db2.gz PNEJXWACTTUXFK-OAHLLOKOSA-N 1 1 341.419 0.695 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCOCC3)nn2)C1 ZINC000999985770 745139526 /nfs/dbraw/zinc/13/95/26/745139526.db2.gz PTVWTZFJWAMHHR-GOEBONIOSA-N 1 1 331.420 0.591 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)CC2(C)C)cn1 ZINC000977524897 745143343 /nfs/dbraw/zinc/14/33/43/745143343.db2.gz MKEICWPZRDUEFE-IUODEOHRSA-N 1 1 328.416 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)CC2(C)C)cn1 ZINC000977524897 745143346 /nfs/dbraw/zinc/14/33/46/745143346.db2.gz MKEICWPZRDUEFE-IUODEOHRSA-N 1 1 328.416 0.638 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)nn2)C1 ZINC000999990349 745147739 /nfs/dbraw/zinc/14/77/39/745147739.db2.gz JUSBSQZQNQNMHU-DLBZAZTESA-N 1 1 344.463 0.647 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999990349 745147743 /nfs/dbraw/zinc/14/77/43/745147743.db2.gz JUSBSQZQNQNMHU-DLBZAZTESA-N 1 1 344.463 0.647 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nn(C)cc3C)nn2)C1 ZINC000999991379 745148437 /nfs/dbraw/zinc/14/84/37/745148437.db2.gz NTDNPGKINSWMJY-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC000977531793 745153555 /nfs/dbraw/zinc/15/35/55/745153555.db2.gz SVUCXKZBICLNDA-CQSZACIVSA-N 1 1 340.387 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C(C)C)cn3)nn2)C1 ZINC001000000298 745162938 /nfs/dbraw/zinc/16/29/38/745162938.db2.gz IAHKAVFIYONVPI-OAHLLOKOSA-N 1 1 341.419 0.866 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnnc3C)nn2)C1 ZINC001000001622 745164335 /nfs/dbraw/zinc/16/43/35/745164335.db2.gz DFAYHQJQABSQEP-CQSZACIVSA-N 1 1 327.392 0.739 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@]34CCC[C@H]3OCC4)nn2)C1 ZINC001000001623 745164372 /nfs/dbraw/zinc/16/43/72/745164372.db2.gz ODARQOSUJBVRCY-NUJGCVRESA-N 1 1 343.431 0.734 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)nc[nH]c3=O)nn2)C1 ZINC001000011807 745181025 /nfs/dbraw/zinc/18/10/25/745181025.db2.gz ACYLMNZNDLAXSR-CYBMUJFWSA-N 1 1 343.391 0.445 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(=O)n3C)nn2)C1 ZINC001000018866 745188907 /nfs/dbraw/zinc/18/89/07/745188907.db2.gz QHMYOOFLXHGOFD-CYBMUJFWSA-N 1 1 345.407 0.470 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]c(C)nc3C)nn2)C1 ZINC001000019920 745190616 /nfs/dbraw/zinc/19/06/16/745190616.db2.gz HIJRJWLHTGDGEG-CQSZACIVSA-N 1 1 327.392 0.428 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CCOC)C2)nn1 ZINC001000026838 745198998 /nfs/dbraw/zinc/19/89/98/745198998.db2.gz WUPFAVJZRCXJRQ-OAGGEKHMSA-N 1 1 349.435 0.379 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001000029943 745203594 /nfs/dbraw/zinc/20/35/94/745203594.db2.gz PHGOVKSIUIGWCK-AWEZNQCLSA-N 1 1 325.376 0.268 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CC#CC)C2)nn1 ZINC001000032066 745206178 /nfs/dbraw/zinc/20/61/78/745206178.db2.gz PFQPQWPWNDGOKQ-BBWFWOEESA-N 1 1 343.431 0.756 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(CC)n3)nn2)C1 ZINC001000033312 745207660 /nfs/dbraw/zinc/20/76/60/745207660.db2.gz RTFAAUVYEBAVBW-OAHLLOKOSA-N 1 1 341.419 0.695 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@@H]3CC[N@H+](CC#CC)C3)nn2)nc1 ZINC001000033767 745208691 /nfs/dbraw/zinc/20/86/91/745208691.db2.gz DRRHIKLLFUHKNX-QGZVFWFLSA-N 1 1 348.410 0.855 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCO[C@H]3C(=C)C)nn2)C1 ZINC001000034197 745208713 /nfs/dbraw/zinc/20/87/13/745208713.db2.gz IVLSPTQOBONXTO-ULQDDVLXSA-N 1 1 343.431 0.756 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(=O)[nH]c3)nn2)C1 ZINC001000035116 745210504 /nfs/dbraw/zinc/21/05/04/745210504.db2.gz MEGDJHRMZWLBLL-HNNXBMFYSA-N 1 1 340.387 0.579 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(CC)c3C)nn2)C1 ZINC001000035971 745213153 /nfs/dbraw/zinc/21/31/53/745213153.db2.gz NFIQOKMBJWQPJW-HNNXBMFYSA-N 1 1 341.419 0.613 20 30 ECEDMO CC#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046317 745226980 /nfs/dbraw/zinc/22/69/80/745226980.db2.gz SHPBDWIHPFEGOG-GDBMZVCRSA-N 1 1 330.436 0.116 20 30 ECEDMO CC#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046317 745226984 /nfs/dbraw/zinc/22/69/84/745226984.db2.gz SHPBDWIHPFEGOG-GDBMZVCRSA-N 1 1 330.436 0.116 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3cnoc3)C2)C1=O ZINC001027541515 745249215 /nfs/dbraw/zinc/24/92/15/745249215.db2.gz TUXMXGOMVOEEIQ-HZPDHXFCSA-N 1 1 346.431 0.927 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)c1 ZINC001000136228 745286081 /nfs/dbraw/zinc/28/60/81/745286081.db2.gz IMGDOXFDIICYNX-SWLSCSKDSA-N 1 1 339.403 0.542 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)c1 ZINC001029260438 745464475 /nfs/dbraw/zinc/46/44/75/745464475.db2.gz ODDJIWQGCZGKIU-VNHYZAJKSA-N 1 1 327.388 0.454 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nccc(C)n3)C2)nn1 ZINC001000401966 745477650 /nfs/dbraw/zinc/47/76/50/745477650.db2.gz HAICMTDBLWFWER-CQSZACIVSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C)on4)[C@@H]3C2)C1=O ZINC000977758352 745482685 /nfs/dbraw/zinc/48/26/85/745482685.db2.gz AXEMBVSRTHZGHZ-HGTKMLMNSA-N 1 1 344.415 0.678 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]2O)[nH]1 ZINC001083413452 745485009 /nfs/dbraw/zinc/48/50/09/745485009.db2.gz OPNOSJWGZKNSNC-CABCVRRESA-N 1 1 330.413 0.965 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccn(C)n1 ZINC000977766477 745492925 /nfs/dbraw/zinc/49/29/25/745492925.db2.gz VOLWKQDJYJPFKO-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccn(C)n1 ZINC000977766477 745492926 /nfs/dbraw/zinc/49/29/26/745492926.db2.gz VOLWKQDJYJPFKO-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC000977782520 745502888 /nfs/dbraw/zinc/50/28/88/745502888.db2.gz ZEDPUXHLHJYOBX-KGLIPLIRSA-N 1 1 346.435 0.089 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC001059265448 745508138 /nfs/dbraw/zinc/50/81/38/745508138.db2.gz WLROMCWEESXWIW-JYJNAYRXSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC001059265448 745508142 /nfs/dbraw/zinc/50/81/42/745508142.db2.gz WLROMCWEESXWIW-JYJNAYRXSA-N 1 1 335.448 0.474 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[C@@H]1COCCO1 ZINC000977839540 745549203 /nfs/dbraw/zinc/54/92/03/745549203.db2.gz PITXVEBKXZJDET-OKYOBFRVSA-N 1 1 340.423 0.748 20 30 ECEDMO C=CCN1CC[C@@H](N2CC=C(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001000520484 745562982 /nfs/dbraw/zinc/56/29/82/745562982.db2.gz FKZGEMBYEODQHV-IAGOWNOFSA-N 1 1 346.475 0.616 20 30 ECEDMO C=CCN1CC[C@@H](N2CC=C(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001000520484 745562983 /nfs/dbraw/zinc/56/29/83/745562983.db2.gz FKZGEMBYEODQHV-IAGOWNOFSA-N 1 1 346.475 0.616 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001000558951 745594794 /nfs/dbraw/zinc/59/47/94/745594794.db2.gz JDHGFTISCSDKFB-GFCCVEGCSA-N 1 1 341.415 0.915 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001000558951 745594798 /nfs/dbraw/zinc/59/47/98/745594798.db2.gz JDHGFTISCSDKFB-GFCCVEGCSA-N 1 1 341.415 0.915 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2CC=C(CNC(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC001000564028 745599759 /nfs/dbraw/zinc/59/97/59/745599759.db2.gz PHVFHZWXRVEQGB-INIZCTEOSA-N 1 1 341.415 0.869 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@@H+](CCN3CCCC3=O)CC2)[nH]1 ZINC001000567804 745602025 /nfs/dbraw/zinc/60/20/25/745602025.db2.gz FRTUWBDHWPTKKF-UHFFFAOYSA-N 1 1 341.415 0.871 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@H+](CC(=O)N3CCC3)CC2)c[nH]1 ZINC001000587574 745620638 /nfs/dbraw/zinc/62/06/38/745620638.db2.gz KCVWYCICOMCEJB-UHFFFAOYSA-N 1 1 327.388 0.481 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@@H+](CC(=O)N3CCC3)CC2)c[nH]1 ZINC001000587574 745620640 /nfs/dbraw/zinc/62/06/40/745620640.db2.gz KCVWYCICOMCEJB-UHFFFAOYSA-N 1 1 327.388 0.481 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CCC([C@@H]2[N@@H+](CC#C)CC23CCC3)CC1 ZINC001105391310 745627307 /nfs/dbraw/zinc/62/73/07/745627307.db2.gz BOSLHYWUQIHERT-IBGZPJMESA-N 1 1 341.455 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000977917550 745644580 /nfs/dbraw/zinc/64/45/80/745644580.db2.gz HVNKZYFLAJWMBI-ZOFXXKQRSA-N 1 1 345.443 0.036 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000977917550 745644583 /nfs/dbraw/zinc/64/45/83/745644583.db2.gz HVNKZYFLAJWMBI-ZOFXXKQRSA-N 1 1 345.443 0.036 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1ccco1 ZINC000977917527 745644902 /nfs/dbraw/zinc/64/49/02/745644902.db2.gz HTHRMTPKOAMNNH-WBVHZDCISA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1ccco1 ZINC000977917527 745644906 /nfs/dbraw/zinc/64/49/06/745644906.db2.gz HTHRMTPKOAMNNH-WBVHZDCISA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001105392102 745646296 /nfs/dbraw/zinc/64/62/96/745646296.db2.gz SJPKEDARLIINLC-ZFWWWQNUSA-N 1 1 332.448 0.770 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1n[nH]cc1C ZINC000977919359 745646905 /nfs/dbraw/zinc/64/69/05/745646905.db2.gz MZTRPHJUWBNHEM-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1n[nH]cc1C ZINC000977919359 745646906 /nfs/dbraw/zinc/64/69/06/745646906.db2.gz MZTRPHJUWBNHEM-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(CC)o3)C2)nn1 ZINC001020714274 752017649 /nfs/dbraw/zinc/01/76/49/752017649.db2.gz QFLMGZGZBGMPSY-HAQNSBGRSA-N 1 1 345.407 0.850 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCC(=O)N1 ZINC001028269166 752017984 /nfs/dbraw/zinc/01/79/84/752017984.db2.gz HPRHLTPYWPVNRS-SJORKVTESA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCC(=O)N1 ZINC001028269166 752017991 /nfs/dbraw/zinc/01/79/91/752017991.db2.gz HPRHLTPYWPVNRS-SJORKVTESA-N 1 1 325.412 0.897 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CCC([C@H]2[N@@H+](CCO)CC23CCC3)CC1 ZINC001105392381 745653871 /nfs/dbraw/zinc/65/38/71/745653871.db2.gz YWZLQTLJGKLCQX-GOSISDBHSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cncs1 ZINC000977929293 745684654 /nfs/dbraw/zinc/68/46/54/745684654.db2.gz PVNPHZWQTFHCQZ-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cncs1 ZINC000977929293 745684658 /nfs/dbraw/zinc/68/46/58/745684658.db2.gz PVNPHZWQTFHCQZ-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001000682901 745695451 /nfs/dbraw/zinc/69/54/51/745695451.db2.gz LKXHVWYLHROJQO-HNNXBMFYSA-N 1 1 341.415 0.534 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC001000695961 745706741 /nfs/dbraw/zinc/70/67/41/745706741.db2.gz MAENCQAQMAGMRA-IMJJTQAJSA-N 1 1 335.448 0.850 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC001000695961 745706744 /nfs/dbraw/zinc/70/67/44/745706744.db2.gz MAENCQAQMAGMRA-IMJJTQAJSA-N 1 1 335.448 0.850 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)N(C)C)cn1 ZINC001028271143 752027411 /nfs/dbraw/zinc/02/74/11/752027411.db2.gz ZRXXLUWIQPWQGV-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(C)C)cn1 ZINC001028271143 752027417 /nfs/dbraw/zinc/02/74/17/752027417.db2.gz ZRXXLUWIQPWQGV-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001000746837 745738984 /nfs/dbraw/zinc/73/89/84/745738984.db2.gz KRAPRHYSYAOEBK-MRXNPFEDSA-N 1 1 333.432 0.253 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001000751022 745742177 /nfs/dbraw/zinc/74/21/77/745742177.db2.gz ZYYDWIUZSPKCND-MRXNPFEDSA-N 1 1 333.432 0.253 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)c1 ZINC000977982517 745745449 /nfs/dbraw/zinc/74/54/49/745745449.db2.gz WWROSQSBVFPSHW-XPCVCDNBSA-N 1 1 327.388 0.073 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nccn1C ZINC001029342493 745759144 /nfs/dbraw/zinc/75/91/44/745759144.db2.gz QTQBGSCYLOSLET-BBWFWOEESA-N 1 1 341.459 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nccn1C ZINC001029342493 745759147 /nfs/dbraw/zinc/75/91/47/745759147.db2.gz QTQBGSCYLOSLET-BBWFWOEESA-N 1 1 341.459 0.693 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC ZINC001028270749 752030951 /nfs/dbraw/zinc/03/09/51/752030951.db2.gz RQUMOAGKKDSVPD-KBPBESRZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nccn2C)CC1 ZINC001000791951 745769880 /nfs/dbraw/zinc/76/98/80/745769880.db2.gz SLEWBQSVXWEVHF-KRWDZBQOSA-N 1 1 341.459 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nccn2C)CC1 ZINC001000791951 745769885 /nfs/dbraw/zinc/76/98/85/745769885.db2.gz SLEWBQSVXWEVHF-KRWDZBQOSA-N 1 1 341.459 0.766 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC ZINC001028270749 752030957 /nfs/dbraw/zinc/03/09/57/752030957.db2.gz RQUMOAGKKDSVPD-KBPBESRZSA-N 1 1 344.415 0.422 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000984097907 745818704 /nfs/dbraw/zinc/81/87/04/745818704.db2.gz XWVZSPWSPZCMNQ-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2[N@@H+](CC(N)=O)CC23CCC3)CC1 ZINC001105393720 745820099 /nfs/dbraw/zinc/82/00/99/745820099.db2.gz GIHBZWBMKJQRTE-YOEHRIQHSA-N 1 1 347.459 0.603 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4coc(C)n4)[C@@H]3C2)C1=O ZINC000978043796 745821701 /nfs/dbraw/zinc/82/17/01/745821701.db2.gz JKJQOHNGMQTWDX-HGTKMLMNSA-N 1 1 344.415 0.678 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3cncn3C)CC2)C1=O ZINC001000909753 745889670 /nfs/dbraw/zinc/88/96/70/745889670.db2.gz DUXVPWGPEKVUTG-OAHLLOKOSA-N 1 1 343.431 0.569 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2ccccc2OCC(N)=O)CC1 ZINC001000924834 745904132 /nfs/dbraw/zinc/90/41/32/745904132.db2.gz KFHKOJRTNIFVLM-UHFFFAOYSA-N 1 1 341.411 0.936 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC000984146514 745936505 /nfs/dbraw/zinc/93/65/05/745936505.db2.gz JFYKNHSMQSRQHD-HOTGVXAUSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC000984146514 745936506 /nfs/dbraw/zinc/93/65/06/745936506.db2.gz JFYKNHSMQSRQHD-HOTGVXAUSA-N 1 1 349.475 0.694 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087546142 745940700 /nfs/dbraw/zinc/94/07/00/745940700.db2.gz QTHZMHLPYHKKTJ-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087546142 745940704 /nfs/dbraw/zinc/94/07/04/745940704.db2.gz QTHZMHLPYHKKTJ-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CCOCC)C1 ZINC001059329034 745950977 /nfs/dbraw/zinc/95/09/77/745950977.db2.gz YAYIAXNRGIZYRI-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CCOCC)C1 ZINC001059329034 745950979 /nfs/dbraw/zinc/95/09/79/745950979.db2.gz YAYIAXNRGIZYRI-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2ccc(Cn3ccnn3)o2)CC1 ZINC001000994312 745959575 /nfs/dbraw/zinc/95/95/75/745959575.db2.gz HRBXRPIGOSAIES-UHFFFAOYSA-N 1 1 325.372 0.915 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CCOC)c3C)[C@@H]2C1 ZINC000978154104 745985830 /nfs/dbraw/zinc/98/58/30/745985830.db2.gz YRKIHUZIOMMTCT-OSYLJGHBSA-N 1 1 330.432 0.769 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncc[nH]4)[C@@H]3C2)C1=O ZINC000978159981 745991248 /nfs/dbraw/zinc/99/12/48/745991248.db2.gz QQUHMXDLKMQDAY-FQUUOJAGSA-N 1 1 329.404 0.104 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000984187074 746008137 /nfs/dbraw/zinc/00/81/37/746008137.db2.gz XPFHKWUEQULPHH-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000984187074 746008141 /nfs/dbraw/zinc/00/81/41/746008141.db2.gz XPFHKWUEQULPHH-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@H+](CC(=O)NC3CC3)CC2)c1 ZINC001001129222 746098994 /nfs/dbraw/zinc/09/89/94/746098994.db2.gz SAWJDMSBKPXLBC-UHFFFAOYSA-N 1 1 338.411 0.703 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@@H+](CC(=O)NC3CC3)CC2)c1 ZINC001001129222 746098997 /nfs/dbraw/zinc/09/89/97/746098997.db2.gz SAWJDMSBKPXLBC-UHFFFAOYSA-N 1 1 338.411 0.703 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1CC ZINC001087593764 746105043 /nfs/dbraw/zinc/10/50/43/746105043.db2.gz VEONZZQFGFNFRM-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)cc1 ZINC001027603932 746108627 /nfs/dbraw/zinc/10/86/27/746108627.db2.gz AQUNNGUHTGHZPO-OAHLLOKOSA-N 1 1 329.400 0.720 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)cc1 ZINC001027603932 746108630 /nfs/dbraw/zinc/10/86/30/746108630.db2.gz AQUNNGUHTGHZPO-OAHLLOKOSA-N 1 1 329.400 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nncn2C)[C@@H]1CC ZINC001087607089 746115560 /nfs/dbraw/zinc/11/55/60/746115560.db2.gz KWBSBYWNDOFDAC-XHSDSOJGSA-N 1 1 344.463 0.382 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nncn2C)[C@@H]1CC ZINC001087607089 746115565 /nfs/dbraw/zinc/11/55/65/746115565.db2.gz KWBSBYWNDOFDAC-XHSDSOJGSA-N 1 1 344.463 0.382 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)[C@H]3CCCNC3=O)C2)nn1 ZINC001027607272 746167796 /nfs/dbraw/zinc/16/77/96/746167796.db2.gz UVJMQCNMNAIKMD-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1nccs1 ZINC000978299224 746170072 /nfs/dbraw/zinc/17/00/72/746170072.db2.gz ZBSDYFCSOPFGDO-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1nccs1 ZINC000978299224 746170075 /nfs/dbraw/zinc/17/00/75/746170075.db2.gz ZBSDYFCSOPFGDO-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000978361540 746243229 /nfs/dbraw/zinc/24/32/29/746243229.db2.gz QGGAYTJNHOBRMR-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000978361550 746243282 /nfs/dbraw/zinc/24/32/82/746243282.db2.gz QGGAYTJNHOBRMR-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1CC ZINC001087748234 746278395 /nfs/dbraw/zinc/27/83/95/746278395.db2.gz WNTSIAAUUFGLAZ-LSDHHAIUSA-N 1 1 348.447 0.633 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC000978422662 746322287 /nfs/dbraw/zinc/32/22/87/746322287.db2.gz FAFXXZKLOZMLSM-ZSOGYDGISA-N 1 1 340.383 0.343 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC000984349772 746329819 /nfs/dbraw/zinc/32/98/19/746329819.db2.gz JBBABAYVJIKIGO-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC000984349772 746329825 /nfs/dbraw/zinc/32/98/25/746329825.db2.gz JBBABAYVJIKIGO-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)[C@H]2CC)C1=O ZINC001087790301 746342435 /nfs/dbraw/zinc/34/24/35/746342435.db2.gz DIASDZCLLXJODM-BFHYXJOUSA-N 1 1 346.435 0.103 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3nnc[nH]3)[C@H]2CC)C1=O ZINC001087790301 746342442 /nfs/dbraw/zinc/34/24/42/746342442.db2.gz DIASDZCLLXJODM-BFHYXJOUSA-N 1 1 346.435 0.103 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3nnc[nH]3)[C@H]2CC)C1=O ZINC001087790301 746342445 /nfs/dbraw/zinc/34/24/45/746342445.db2.gz DIASDZCLLXJODM-BFHYXJOUSA-N 1 1 346.435 0.103 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nc3[C@H]3CCOC3)[C@@H]2C1 ZINC000978540439 746403423 /nfs/dbraw/zinc/40/34/23/746403423.db2.gz FIZJLRHRMZXDME-YHUYYLMFSA-N 1 1 342.443 0.855 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nc3[C@@H]3CCOC3)[C@@H]2C1 ZINC000978540414 746403616 /nfs/dbraw/zinc/40/36/16/746403616.db2.gz FIZJLRHRMZXDME-FPCVCCKLSA-N 1 1 342.443 0.855 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001027634825 746411992 /nfs/dbraw/zinc/41/19/92/746411992.db2.gz PCLJCJGYEKITTM-LSDHHAIUSA-N 1 1 331.420 0.484 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2cnon2)CC1 ZINC001001490780 746428531 /nfs/dbraw/zinc/42/85/31/746428531.db2.gz COYMHUKZKQCYSS-INIZCTEOSA-N 1 1 331.420 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2cnon2)CC1 ZINC001001490780 746428533 /nfs/dbraw/zinc/42/85/33/746428533.db2.gz COYMHUKZKQCYSS-INIZCTEOSA-N 1 1 331.420 0.495 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)cc1 ZINC000978562376 746443962 /nfs/dbraw/zinc/44/39/62/746443962.db2.gz JDYFJVYFZHOTBR-FJIDUMEYSA-N 1 1 337.423 0.806 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)c(C)nn(C)c3=O)[C@@H]2C1 ZINC000978573375 746451524 /nfs/dbraw/zinc/45/15/24/746451524.db2.gz MYLCSJSMQLZJFC-QKDCVEJESA-N 1 1 328.416 0.328 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@H]2CC)C1=O ZINC001087847644 746490474 /nfs/dbraw/zinc/49/04/74/746490474.db2.gz KHGOLVBRZCKWIV-ARFHVFGLSA-N 1 1 345.447 0.639 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)NC2)c1 ZINC001038449791 746520107 /nfs/dbraw/zinc/52/01/07/746520107.db2.gz MLNZQXOQCLQMHF-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)NC2)c1 ZINC001038449791 746520109 /nfs/dbraw/zinc/52/01/09/746520109.db2.gz MLNZQXOQCLQMHF-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)/C=C(/C)C3CC3)[C@H](OC)C2)C1=O ZINC001211954109 752099462 /nfs/dbraw/zinc/09/94/62/752099462.db2.gz HBJLDEPXXNCHLZ-NCCYMNGLSA-N 1 1 347.459 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)/C=C(/C)C3CC3)[C@H](OC)C2)C1=O ZINC001211954109 752099470 /nfs/dbraw/zinc/09/94/70/752099470.db2.gz HBJLDEPXXNCHLZ-NCCYMNGLSA-N 1 1 347.459 0.945 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001027654208 746572201 /nfs/dbraw/zinc/57/22/01/746572201.db2.gz RMAGNWKJLSLJIY-ZDUSSCGKSA-N 1 1 325.368 0.740 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccon4)C[C@@H]3C2)C1=O ZINC001087896820 746596674 /nfs/dbraw/zinc/59/66/74/746596674.db2.gz YHSYCHAFZOVCRL-IJEWVQPXSA-N 1 1 344.415 0.855 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC000978731720 746644283 /nfs/dbraw/zinc/64/42/83/746644283.db2.gz BRXGODHCMWDWKH-ZQDZILKHSA-N 1 1 330.436 0.496 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)nn1 ZINC001087911441 746646437 /nfs/dbraw/zinc/64/64/37/746646437.db2.gz VTVPSRBDDUQXQW-MCIONIFRSA-N 1 1 329.404 0.925 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000978735374 746649988 /nfs/dbraw/zinc/64/99/88/746649988.db2.gz OSLJSPRMOOAOBA-SGMGOOAPSA-N 1 1 329.404 0.463 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccnnc4)[C@@H]3C2)C1=O ZINC000978766156 746684377 /nfs/dbraw/zinc/68/43/77/746684377.db2.gz NYNAGIXDXYBNPI-JONQDZQNSA-N 1 1 341.415 0.171 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@@H]2C1 ZINC001087941471 746696050 /nfs/dbraw/zinc/69/60/50/746696050.db2.gz DNRWKXRNPLVIBL-NEPJUHHUSA-N 1 1 325.800 0.517 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@@H]2C1 ZINC001087941471 746696056 /nfs/dbraw/zinc/69/60/56/746696056.db2.gz DNRWKXRNPLVIBL-NEPJUHHUSA-N 1 1 325.800 0.517 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)nn1 ZINC000978813638 746760270 /nfs/dbraw/zinc/76/02/70/746760270.db2.gz HDXVEQURVGLHJU-QKDCVEJESA-N 1 1 342.403 0.950 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)nn1 ZINC000978813638 746760273 /nfs/dbraw/zinc/76/02/73/746760273.db2.gz HDXVEQURVGLHJU-QKDCVEJESA-N 1 1 342.403 0.950 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000978834634 746779695 /nfs/dbraw/zinc/77/96/95/746779695.db2.gz BJVXHOGVSGVGNZ-VIQHNZTISA-N 1 1 345.447 0.553 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccnc(NC(C)=O)c3)[C@@H]2C1 ZINC000978871333 746804743 /nfs/dbraw/zinc/80/47/43/746804743.db2.gz TXGPYTUXIGCPLH-PHZGNYQRSA-N 1 1 326.400 0.971 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@@]2(C)C1 ZINC000982407325 752126429 /nfs/dbraw/zinc/12/64/29/752126429.db2.gz MEIOKYAVQWBYPR-OGWHTMIXSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](N(C)[C@H](C)C(N)=O)C2)CC1 ZINC001027694429 746862801 /nfs/dbraw/zinc/86/28/01/746862801.db2.gz YEIRXVCXDYUVKN-ZBFHGGJFSA-N 1 1 334.464 0.128 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC000978952574 746945616 /nfs/dbraw/zinc/94/56/16/746945616.db2.gz JNZOAEHTKIITCC-SCRDCRAPSA-N 1 1 347.394 0.271 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC000978952574 746945618 /nfs/dbraw/zinc/94/56/18/746945618.db2.gz JNZOAEHTKIITCC-SCRDCRAPSA-N 1 1 347.394 0.271 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000978952476 746946012 /nfs/dbraw/zinc/94/60/12/746946012.db2.gz IIELZOVEBJDXFD-ZNMIVQPWSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000978952476 746946016 /nfs/dbraw/zinc/94/60/16/746946016.db2.gz IIELZOVEBJDXFD-ZNMIVQPWSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000978954749 746950498 /nfs/dbraw/zinc/95/04/98/746950498.db2.gz XYOBQWIVLUILDV-ZNMIVQPWSA-N 1 1 343.431 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000978954749 746950503 /nfs/dbraw/zinc/95/05/03/746950503.db2.gz XYOBQWIVLUILDV-ZNMIVQPWSA-N 1 1 343.431 0.061 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C(=O)NC)n3)[C@@H]2C1 ZINC000979010351 747042575 /nfs/dbraw/zinc/04/25/75/747042575.db2.gz WKTQHUGWYNLJRC-ZSOGYDGISA-N 1 1 328.416 0.925 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)cc1 ZINC000979017964 747065034 /nfs/dbraw/zinc/06/50/34/747065034.db2.gz MHYSCAZQPKCWSZ-NXOAAHMSSA-N 1 1 338.411 0.631 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CCC)n3)[C@@H]2C1 ZINC000979045687 747076691 /nfs/dbraw/zinc/07/66/91/747076691.db2.gz KOHTWZHSCXRUAY-QKDCVEJESA-N 1 1 328.416 0.584 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC001002202586 747078707 /nfs/dbraw/zinc/07/87/07/747078707.db2.gz ILDVDDPDVNMVMI-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC001002202586 747078713 /nfs/dbraw/zinc/07/87/13/747078713.db2.gz ILDVDDPDVNMVMI-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC001002202586 747078719 /nfs/dbraw/zinc/07/87/19/747078719.db2.gz ILDVDDPDVNMVMI-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC001002202586 747078727 /nfs/dbraw/zinc/07/87/27/747078727.db2.gz ILDVDDPDVNMVMI-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088032195 747113392 /nfs/dbraw/zinc/11/33/92/747113392.db2.gz DWDFQEULVGXOGB-KFWWJZLASA-N 1 1 326.462 0.778 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088032195 747113395 /nfs/dbraw/zinc/11/33/95/747113395.db2.gz DWDFQEULVGXOGB-KFWWJZLASA-N 1 1 326.462 0.778 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cnnn4)cc3)[C@@H]2C1 ZINC000979046556 747113665 /nfs/dbraw/zinc/11/36/65/747113665.db2.gz PJSKTPZZBIUKSW-OSYLJGHBSA-N 1 1 336.399 0.593 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1NC(=O)CSCC#N ZINC001211888696 747127715 /nfs/dbraw/zinc/12/77/15/747127715.db2.gz JXXJNVAUBQLJMC-HUUCEWRRSA-N 1 1 334.445 0.962 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1NC(=O)CSCC#N ZINC001211888696 747127720 /nfs/dbraw/zinc/12/77/20/747127720.db2.gz JXXJNVAUBQLJMC-HUUCEWRRSA-N 1 1 334.445 0.962 20 30 ECEDMO CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046280 747140805 /nfs/dbraw/zinc/14/08/05/747140805.db2.gz NGIIBGRMOPREAW-PBIMCDDKSA-N 1 1 343.471 0.653 20 30 ECEDMO CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046280 747140812 /nfs/dbraw/zinc/14/08/12/747140812.db2.gz NGIIBGRMOPREAW-PBIMCDDKSA-N 1 1 343.471 0.653 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CCN1C(=O)C#CC1CC1 ZINC000984952256 747156702 /nfs/dbraw/zinc/15/67/02/747156702.db2.gz AHUQUOZBTRLRQJ-GVDBMIGSSA-N 1 1 347.459 0.616 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCN1C(=O)C#CC1CC1 ZINC000984952256 747156706 /nfs/dbraw/zinc/15/67/06/747156706.db2.gz AHUQUOZBTRLRQJ-GVDBMIGSSA-N 1 1 347.459 0.616 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001002289360 747174037 /nfs/dbraw/zinc/17/40/37/747174037.db2.gz CUESGOUNWQXWTA-HNNXBMFYSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001002289360 747174042 /nfs/dbraw/zinc/17/40/42/747174042.db2.gz CUESGOUNWQXWTA-HNNXBMFYSA-N 1 1 335.448 0.638 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2CCc2cnn(C)c2)nn1 ZINC001038780033 747383954 /nfs/dbraw/zinc/38/39/54/747383954.db2.gz BDWYUTOYKFKQKR-AWEZNQCLSA-N 1 1 329.408 0.244 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CCc2cnn(C)c2)nn1 ZINC001038780033 747383964 /nfs/dbraw/zinc/38/39/64/747383964.db2.gz BDWYUTOYKFKQKR-AWEZNQCLSA-N 1 1 329.408 0.244 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@@H]2C1 ZINC001088114347 747419624 /nfs/dbraw/zinc/41/96/24/747419624.db2.gz IZMLDUKXMSATHN-XHSDSOJGSA-N 1 1 342.447 0.429 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001088127600 747445539 /nfs/dbraw/zinc/44/55/39/747445539.db2.gz GNGUANNEZBQJRL-CVEARBPZSA-N 1 1 338.473 0.615 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001088127600 747445543 /nfs/dbraw/zinc/44/55/43/747445543.db2.gz GNGUANNEZBQJRL-CVEARBPZSA-N 1 1 338.473 0.615 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)COC)CC[C@@H]3C2)nn1 ZINC001088133318 747461532 /nfs/dbraw/zinc/46/15/32/747461532.db2.gz BGDFKCYFKFEPHL-ZNMIVQPWSA-N 1 1 333.436 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c(C)ncn2C)C1 ZINC001002543137 747495768 /nfs/dbraw/zinc/49/57/68/747495768.db2.gz VVBIPYZYTXWXAL-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c(C)ncn2C)C1 ZINC001002543137 747495771 /nfs/dbraw/zinc/49/57/71/747495771.db2.gz VVBIPYZYTXWXAL-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088142476 747497086 /nfs/dbraw/zinc/49/70/86/747497086.db2.gz LZHUGZDJVNMJHN-KGLIPLIRSA-N 1 1 334.420 0.285 20 30 ECEDMO C[C@H]([NH2+]Cc1cnn(C)n1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979270788 747510532 /nfs/dbraw/zinc/51/05/32/747510532.db2.gz NVYNUXZNHWRIBP-XHDPSFHLSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979270785 747510729 /nfs/dbraw/zinc/51/07/29/747510729.db2.gz NVYNUXZNHWRIBP-NHYWBVRUSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@@H]([NH2+]Cc1ccon1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979292339 747525639 /nfs/dbraw/zinc/52/56/39/747525639.db2.gz LNWLCKXIJGDAGJ-IAQYHMDHSA-N 1 1 329.360 0.894 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3cc(C)n[nH]3)CC2)C1=O ZINC001002583885 747535243 /nfs/dbraw/zinc/53/52/43/747535243.db2.gz ICLZFUBLZXLMTG-MRXNPFEDSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnccc3=O)C[C@@H]2C1 ZINC001088155218 747544575 /nfs/dbraw/zinc/54/45/75/747544575.db2.gz CFYHNYGVRWMKBE-CVEARBPZSA-N 1 1 330.432 0.990 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001059502666 747551745 /nfs/dbraw/zinc/55/17/45/747551745.db2.gz WWULRYWUFAEGBA-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO CN(C(=O)C[NH+]1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1)C1CC1 ZINC001002626992 747590091 /nfs/dbraw/zinc/59/00/91/747590091.db2.gz OVHJBIMBJJKIBX-UHFFFAOYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cn[nH]c3)CC2)C1=O ZINC000985290205 747646576 /nfs/dbraw/zinc/64/65/76/747646576.db2.gz OLHRDHNHZPXFDX-OAHLLOKOSA-N 1 1 331.420 0.733 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000979331400 747654656 /nfs/dbraw/zinc/65/46/56/747654656.db2.gz PDACGPRYXMLNGQ-UUAJXVIYSA-N 1 1 349.475 0.930 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000979332486 747656400 /nfs/dbraw/zinc/65/64/00/747656400.db2.gz VDZMHMMADXRRLJ-QXSJWSMHSA-N 1 1 346.431 0.794 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088174887 747677725 /nfs/dbraw/zinc/67/77/25/747677725.db2.gz UCPADIAWOJAEOD-CABCVRRESA-N 1 1 329.400 0.480 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001088193453 747713954 /nfs/dbraw/zinc/71/39/54/747713954.db2.gz DDAWTYJBJBDORG-NEPJUHHUSA-N 1 1 340.811 0.071 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001088193453 747713960 /nfs/dbraw/zinc/71/39/60/747713960.db2.gz DDAWTYJBJBDORG-NEPJUHHUSA-N 1 1 340.811 0.071 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3-n3cnnn3)C[C@@H]2C1 ZINC001088196786 747718404 /nfs/dbraw/zinc/71/84/04/747718404.db2.gz AABWCXOQIBZCHA-CABCVRRESA-N 1 1 336.399 0.689 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)C[C@@H]2C1 ZINC001088196650 747719115 /nfs/dbraw/zinc/71/91/15/747719115.db2.gz SJEGDACXFVOCMD-CVEARBPZSA-N 1 1 336.399 0.689 20 30 ECEDMO C=CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC000985332627 747724537 /nfs/dbraw/zinc/72/45/37/747724537.db2.gz RAEKDKARQZNEDN-SJORKVTESA-N 1 1 348.491 0.790 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001002773164 747764387 /nfs/dbraw/zinc/76/43/87/747764387.db2.gz VIAKQINEXDSELN-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001002773164 747764390 /nfs/dbraw/zinc/76/43/90/747764390.db2.gz VIAKQINEXDSELN-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001088226539 747773607 /nfs/dbraw/zinc/77/36/07/747773607.db2.gz RFVAUNXXPWMDNU-OAHLLOKOSA-N 1 1 334.424 0.189 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)c1nccnc1C#N ZINC001112181417 747776220 /nfs/dbraw/zinc/77/62/20/747776220.db2.gz MXGBOONYPYYEKL-KGLIPLIRSA-N 1 1 330.436 0.831 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 ZINC001088229306 747779637 /nfs/dbraw/zinc/77/96/37/747779637.db2.gz NHNXCWXOAZQCEX-IRXDYDNUSA-N 1 1 336.432 0.365 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3cnn(C)c3)CC2)C1 ZINC001088229587 747779650 /nfs/dbraw/zinc/77/96/50/747779650.db2.gz VBZQVNMVCPAUIV-SFHVURJKSA-N 1 1 344.459 0.925 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001088230374 747782575 /nfs/dbraw/zinc/78/25/75/747782575.db2.gz OTIWURYUCQUYBN-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO Cn1cc(C[N@H+](C)C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC000985365008 747800147 /nfs/dbraw/zinc/80/01/47/747800147.db2.gz GJDAQIVCROQZDX-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1cc(C[N@@H+](C)C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC000985365008 747800156 /nfs/dbraw/zinc/80/01/56/747800156.db2.gz GJDAQIVCROQZDX-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC001088235525 747817571 /nfs/dbraw/zinc/81/75/71/747817571.db2.gz UWCHUWYBDDERHB-LPHOPBHVSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC001088235527 747817862 /nfs/dbraw/zinc/81/78/62/747817862.db2.gz UWCHUWYBDDERHB-VQIMIIECSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](CC)SC)C1 ZINC001002829454 747844924 /nfs/dbraw/zinc/84/49/24/747844924.db2.gz LXBGORXMJGCDQC-GJZGRUSLSA-N 1 1 337.489 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](CC)SC)C1 ZINC001002829454 747844929 /nfs/dbraw/zinc/84/49/29/747844929.db2.gz LXBGORXMJGCDQC-GJZGRUSLSA-N 1 1 337.489 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2coc(C)n2)C1 ZINC001002829658 747845033 /nfs/dbraw/zinc/84/50/33/747845033.db2.gz MWGWYGWVQYMXCS-HNNXBMFYSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2coc(C)n2)C1 ZINC001002829658 747845043 /nfs/dbraw/zinc/84/50/43/747845043.db2.gz MWGWYGWVQYMXCS-HNNXBMFYSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC[C@H]2CCCO2)C1 ZINC001002829185 747845624 /nfs/dbraw/zinc/84/56/24/747845624.db2.gz JPWKASWSISECJD-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC[C@H]2CCCO2)C1 ZINC001002829185 747845633 /nfs/dbraw/zinc/84/56/33/747845633.db2.gz JPWKASWSISECJD-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCOC2)C1 ZINC001002830384 747847459 /nfs/dbraw/zinc/84/74/59/747847459.db2.gz QYCCGPSCXJCZHK-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCOC2)C1 ZINC001002830384 747847468 /nfs/dbraw/zinc/84/74/68/747847468.db2.gz QYCCGPSCXJCZHK-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2coc(C)c2)C1 ZINC001002830394 747847649 /nfs/dbraw/zinc/84/76/49/747847649.db2.gz RFRRRBDOLJHAHM-INIZCTEOSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2coc(C)c2)C1 ZINC001002830394 747847655 /nfs/dbraw/zinc/84/76/55/747847655.db2.gz RFRRRBDOLJHAHM-INIZCTEOSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC[C@H]2CCOC2)C1 ZINC001002830521 747848033 /nfs/dbraw/zinc/84/80/33/747848033.db2.gz VOVAAHRSHUOLPW-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC[C@H]2CCOC2)C1 ZINC001002830521 747848044 /nfs/dbraw/zinc/84/80/44/747848044.db2.gz VOVAAHRSHUOLPW-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001002835813 747857234 /nfs/dbraw/zinc/85/72/34/747857234.db2.gz PXOGZXNKCONDQM-HNNXBMFYSA-N 1 1 342.399 0.073 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001002835813 747857242 /nfs/dbraw/zinc/85/72/42/747857242.db2.gz PXOGZXNKCONDQM-HNNXBMFYSA-N 1 1 342.399 0.073 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000988501416 752219586 /nfs/dbraw/zinc/21/95/86/752219586.db2.gz MSIPEBSQSCIPMP-WCQYABFASA-N 1 1 327.392 0.891 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985392986 747890814 /nfs/dbraw/zinc/89/08/14/747890814.db2.gz ZNQBNFNOOOACSZ-NSHDSACASA-N 1 1 342.407 0.707 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985392986 747890822 /nfs/dbraw/zinc/89/08/22/747890822.db2.gz ZNQBNFNOOOACSZ-NSHDSACASA-N 1 1 342.407 0.707 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001002869024 747899766 /nfs/dbraw/zinc/89/97/66/747899766.db2.gz GETXFUILNFCMEW-IRXDYDNUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccn[nH]3)[C@@H]2C)CC1 ZINC000988505740 752222121 /nfs/dbraw/zinc/22/21/21/752222121.db2.gz CGWZOQKWZDBHLZ-HIFRSBDPSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000979498571 747936094 /nfs/dbraw/zinc/93/60/94/747936094.db2.gz KLFIFBZYBCUUCA-YDHLFZDLSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000979498571 747936098 /nfs/dbraw/zinc/93/60/98/747936098.db2.gz KLFIFBZYBCUUCA-YDHLFZDLSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cnns2)C1 ZINC000979525163 747961630 /nfs/dbraw/zinc/96/16/30/747961630.db2.gz DNBIQOUAPSFVSP-AVGNSLFASA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cnns2)C1 ZINC000979525163 747961637 /nfs/dbraw/zinc/96/16/37/747961637.db2.gz DNBIQOUAPSFVSP-AVGNSLFASA-N 1 1 347.444 0.260 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000985427802 747991704 /nfs/dbraw/zinc/99/17/04/747991704.db2.gz FUEGWCUUAPWCLN-CYBMUJFWSA-N 1 1 331.420 0.871 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985436298 748010332 /nfs/dbraw/zinc/01/03/32/748010332.db2.gz OQZMQWOHPKWDNG-UHFFFAOYSA-N 1 1 339.403 0.668 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000979578032 748070659 /nfs/dbraw/zinc/07/06/59/748070659.db2.gz LHMOKTYPPJJKPG-KBRIMQKVSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3cn(C)cn3)C2)C1=O ZINC001029703348 748101344 /nfs/dbraw/zinc/10/13/44/748101344.db2.gz CSVQAPOIFGNAQL-HOCLYGCPSA-N 1 1 345.447 0.601 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000979664359 748183854 /nfs/dbraw/zinc/18/38/54/748183854.db2.gz IWVHXNMRQRFJDV-UMVBOHGHSA-N 1 1 343.431 0.853 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979666591 748189319 /nfs/dbraw/zinc/18/93/19/748189319.db2.gz XGBDOZSQKYBSGC-WHOFXGATSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C3(NC(C)=O)CCCC3)C2)nn1 ZINC001105344163 748282403 /nfs/dbraw/zinc/28/24/03/748282403.db2.gz QKZRKZBBQUKSTP-UHFFFAOYSA-N 1 1 346.435 0.386 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@@H]2C1 ZINC000979733763 748345085 /nfs/dbraw/zinc/34/50/85/748345085.db2.gz UFDNHAGDSULUMU-BFHYXJOUSA-N 1 1 346.435 0.170 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3cncn3C)C2)C1=O ZINC001029778494 748348230 /nfs/dbraw/zinc/34/82/30/748348230.db2.gz JRDUVLWNJZBELT-GJZGRUSLSA-N 1 1 345.447 0.601 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001027835082 748361234 /nfs/dbraw/zinc/36/12/34/748361234.db2.gz QVHWCBJORPGVFH-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001027835082 748361240 /nfs/dbraw/zinc/36/12/40/748361240.db2.gz QVHWCBJORPGVFH-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027836184 748398351 /nfs/dbraw/zinc/39/83/51/748398351.db2.gz PFVKWWHQPMONGC-NHYWBVRUSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027836184 748398358 /nfs/dbraw/zinc/39/83/58/748398358.db2.gz PFVKWWHQPMONGC-NHYWBVRUSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(=O)n(C)cn3)C[C@@H]2C1 ZINC000979798873 748415867 /nfs/dbraw/zinc/41/58/67/748415867.db2.gz VYCPABPJCNOGLG-RRFJBIMHSA-N 1 1 328.416 0.634 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cnco3)C2)C1=O ZINC001029799313 748465561 /nfs/dbraw/zinc/46/55/61/748465561.db2.gz XGSZTHZVFQKZKW-ZIAGYGMSSA-N 1 1 332.404 0.855 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC([N@@H+](C)CC(=O)N2CCOCC2)CC1 ZINC000985575400 748586116 /nfs/dbraw/zinc/58/61/16/748586116.db2.gz XIMLWYRZFTVULT-UHFFFAOYSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC000979979675 748756831 /nfs/dbraw/zinc/75/68/31/748756831.db2.gz LFFAPHUZGPAZAD-ULQDDVLXSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000979967200 748759242 /nfs/dbraw/zinc/75/92/42/748759242.db2.gz IIELZOVEBJDXFD-KKUMJFAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000979967200 748759247 /nfs/dbraw/zinc/75/92/47/748759247.db2.gz IIELZOVEBJDXFD-KKUMJFAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cccn2C)C1 ZINC000979969136 748762957 /nfs/dbraw/zinc/76/29/57/748762957.db2.gz WWHXCFZVCLRGSH-ZOBUZTSGSA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cccn2C)C1 ZINC000979969136 748762959 /nfs/dbraw/zinc/76/29/59/748762959.db2.gz WWHXCFZVCLRGSH-ZOBUZTSGSA-N 1 1 342.443 0.747 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000980020047 748834851 /nfs/dbraw/zinc/83/48/51/748834851.db2.gz DNVPNBRGJZZMTP-XNRPHZJLSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)Cc3cnc[nH]3)CC2)C1=O ZINC000985675344 748849963 /nfs/dbraw/zinc/84/99/63/748849963.db2.gz QYIHHXFQEZYJPD-MRXNPFEDSA-N 1 1 345.447 0.662 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001003780567 748886021 /nfs/dbraw/zinc/88/60/21/748886021.db2.gz SCLRBEANUYDLLX-LBPRGKRZSA-N 1 1 335.857 0.353 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cnnn3C)C2)nn1 ZINC001029859427 748952374 /nfs/dbraw/zinc/95/23/74/748952374.db2.gz DAVYVYVQPQQRNE-ZDUSSCGKSA-N 1 1 344.423 0.187 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001088384874 748997618 /nfs/dbraw/zinc/99/76/18/748997618.db2.gz RLVMYLRJLQEGIP-ZNMIVQPWSA-N 1 1 348.451 0.662 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]2C1 ZINC000980142138 749054889 /nfs/dbraw/zinc/05/48/89/749054889.db2.gz CKNNQNGVSCDGLB-BFHYXJOUSA-N 1 1 328.416 0.967 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(N)=O)cn3C)C[C@@H]2C1 ZINC000980165754 749100067 /nfs/dbraw/zinc/10/00/67/749100067.db2.gz PWWDKDKLEVJXQJ-SQWLQELKSA-N 1 1 342.443 0.978 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001059647712 749107522 /nfs/dbraw/zinc/10/75/22/749107522.db2.gz FHCWUBSSWUAITD-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059648260 749113356 /nfs/dbraw/zinc/11/33/56/749113356.db2.gz PJIGAMFTLJHARQ-CVEARBPZSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC000980192461 749125684 /nfs/dbraw/zinc/12/56/84/749125684.db2.gz MYHNBIUHWISYQL-XHSDSOJGSA-N 1 1 338.473 0.661 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC000980192950 749126537 /nfs/dbraw/zinc/12/65/37/749126537.db2.gz KFFOYIZTZMVCBQ-IHRRRGAJSA-N 1 1 334.420 0.331 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCCNc2cnc(C#N)cn2)C1 ZINC001114946241 749135536 /nfs/dbraw/zinc/13/55/36/749135536.db2.gz GOEHSFIZSRVLGJ-UKRRQHHQSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCCNc2cnc(C#N)cn2)C1 ZINC001114946241 749135541 /nfs/dbraw/zinc/13/55/41/749135541.db2.gz GOEHSFIZSRVLGJ-UKRRQHHQSA-N 1 1 346.435 0.766 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001027890237 749153493 /nfs/dbraw/zinc/15/34/93/749153493.db2.gz UFQMDRAQSQAPIA-XHSDSOJGSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001027890237 749153499 /nfs/dbraw/zinc/15/34/99/749153499.db2.gz UFQMDRAQSQAPIA-XHSDSOJGSA-N 1 1 335.448 0.827 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC000980207549 749185329 /nfs/dbraw/zinc/18/53/29/749185329.db2.gz KARBJMNZQUPSTI-KKUMJFAQSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]2C1 ZINC000980210307 749190289 /nfs/dbraw/zinc/19/02/89/749190289.db2.gz XORDTUPAOFRSCB-XQQFMLRXSA-N 1 1 342.403 0.434 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2oncc2C)C1 ZINC001004082314 749193171 /nfs/dbraw/zinc/19/31/71/749193171.db2.gz VEZHATRCAFQCMP-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2oncc2C)C1 ZINC001004082314 749193173 /nfs/dbraw/zinc/19/31/73/749193173.db2.gz VEZHATRCAFQCMP-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC000980221837 749202180 /nfs/dbraw/zinc/20/21/80/749202180.db2.gz SINKFNWNAWTOAZ-SOUVJXGZSA-N 1 1 348.447 0.721 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccncn3)C2)C1=O ZINC001029869516 749217872 /nfs/dbraw/zinc/21/78/72/749217872.db2.gz KSZHQPTZPVQYGH-ZBFHGGJFSA-N 1 1 343.431 0.657 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cncc(C(N)=O)c3)C[C@H]2C1 ZINC000980249105 749254957 /nfs/dbraw/zinc/25/49/57/749254957.db2.gz XVEVOTPDTTUJCY-RCBQFDQVSA-N 1 1 326.400 0.644 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC000980250194 749255691 /nfs/dbraw/zinc/25/56/91/749255691.db2.gz ZCTZBCXJTPQMFO-MJBXVCDLSA-N 1 1 343.431 0.982 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC000980250192 749256030 /nfs/dbraw/zinc/25/60/30/749256030.db2.gz ZCTZBCXJTPQMFO-MELADBBJSA-N 1 1 343.431 0.982 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1nccnc1C(N)=O)C2 ZINC001054238048 767849283 /nfs/dbraw/zinc/84/92/83/767849283.db2.gz KJANCDWBSFTVCK-SFHVURJKSA-N 1 1 341.415 0.527 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CC)c3C)C2)nn1 ZINC001105346241 749435009 /nfs/dbraw/zinc/43/50/09/749435009.db2.gz XOGWQWLESVNQOY-UHFFFAOYSA-N 1 1 329.408 0.776 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@H]2CCC[N@H+]2CCN2CCNC2=O)CC1 ZINC001004393538 749460717 /nfs/dbraw/zinc/46/07/17/749460717.db2.gz DOAJFMYOHBLWBJ-GDBMZVCRSA-N 1 1 347.463 0.874 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC(N)=O)CC2)c1 ZINC001004393016 749460890 /nfs/dbraw/zinc/46/08/90/749460890.db2.gz MNYVQGURVDEBHK-OAHLLOKOSA-N 1 1 329.404 0.688 20 30 ECEDMO N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC001059689378 749470462 /nfs/dbraw/zinc/47/04/62/749470462.db2.gz MHKZBAPFSQSCID-AHIWAGSCSA-N 1 1 326.404 0.893 20 30 ECEDMO Cn1nnc(C[N@@H+]2CCC[C@H]2C2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC001004427744 749485092 /nfs/dbraw/zinc/48/50/92/749485092.db2.gz HRDONHBKAWUJES-INIZCTEOSA-N 1 1 342.447 0.827 20 30 ECEDMO Cn1nnc(C[N@H+]2CCC[C@H]2C2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC001004427744 749485096 /nfs/dbraw/zinc/48/50/96/749485096.db2.gz HRDONHBKAWUJES-INIZCTEOSA-N 1 1 342.447 0.827 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)[C@H]3CCN(C)C3=O)C2)CC1 ZINC000980477491 749629793 /nfs/dbraw/zinc/62/97/93/749629793.db2.gz HAWGZICATUHPJE-SJORKVTESA-N 1 1 346.475 0.095 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1C ZINC000986178605 749636591 /nfs/dbraw/zinc/63/65/91/749636591.db2.gz VIPKTSHONAKYQC-FZMZJTMJSA-N 1 1 341.419 0.970 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cn(CC)nn1 ZINC001027940742 749650052 /nfs/dbraw/zinc/65/00/52/749650052.db2.gz SQXNQHUJYPJKSW-SJORKVTESA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cn(CC)nn1 ZINC001027940742 749650054 /nfs/dbraw/zinc/65/00/54/749650054.db2.gz SQXNQHUJYPJKSW-SJORKVTESA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001004597538 749669165 /nfs/dbraw/zinc/66/91/65/749669165.db2.gz RYIATNHFNVPUDN-OAHLLOKOSA-N 1 1 346.431 0.217 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001004620634 749698278 /nfs/dbraw/zinc/69/82/78/749698278.db2.gz HBQXLBPYPJWRHZ-CQSZACIVSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004623004 749700655 /nfs/dbraw/zinc/70/06/55/749700655.db2.gz OVGHQDAWWIWFAW-GJZGRUSLSA-N 1 1 341.477 0.567 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001004624430 749701911 /nfs/dbraw/zinc/70/19/11/749701911.db2.gz STIJVGIAISBOSC-OAHLLOKOSA-N 1 1 348.447 0.769 20 30 ECEDMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C(C)(C)C)CCN1C(=O)C#CC1CC1 ZINC000986277940 749745790 /nfs/dbraw/zinc/74/57/90/749745790.db2.gz JXNKMHJOGDWGCD-GXTWGEPZSA-N 1 1 330.436 0.921 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001058843523 750050595 /nfs/dbraw/zinc/05/05/95/750050595.db2.gz DJGFROHSUMNYMU-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)[C@H]1CCCNC1=O ZINC001029952678 750055370 /nfs/dbraw/zinc/05/53/70/750055370.db2.gz HDTJWOQCJAVBDQ-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001027968705 750060639 /nfs/dbraw/zinc/06/06/39/750060639.db2.gz YSZARNNZINXGMW-CQSZACIVSA-N 1 1 326.462 0.968 20 30 ECEDMO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059730368 750153287 /nfs/dbraw/zinc/15/32/87/750153287.db2.gz FPQZYMDYLQSHJN-OWCLPIDISA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1-n1cnnn1 ZINC001027991014 750234612 /nfs/dbraw/zinc/23/46/12/750234612.db2.gz VDDHFCGYGUDVKE-GFCCVEGCSA-N 1 1 330.417 0.941 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCOC3CCC3)nn2)C1 ZINC001098634179 750259950 /nfs/dbraw/zinc/25/99/50/750259950.db2.gz PLGXCDPXPBSXKJ-DZGCQCFKSA-N 1 1 346.435 0.870 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)c3cc[nH]n3)CC2)C1=O ZINC001005133788 750267737 /nfs/dbraw/zinc/26/77/37/750267737.db2.gz LQCYTJNVHXVHSP-HNNXBMFYSA-N 1 1 331.420 0.733 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059738470 750280554 /nfs/dbraw/zinc/28/05/54/750280554.db2.gz WYMPPHQPXYFFQN-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059738470 750280557 /nfs/dbraw/zinc/28/05/57/750280557.db2.gz WYMPPHQPXYFFQN-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001005184258 750340639 /nfs/dbraw/zinc/34/06/39/750340639.db2.gz LKESHSAYTWFOGK-IRXDYDNUSA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001005184258 750340642 /nfs/dbraw/zinc/34/06/42/750340642.db2.gz LKESHSAYTWFOGK-IRXDYDNUSA-N 1 1 348.491 0.790 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000986795484 750361299 /nfs/dbraw/zinc/36/12/99/750361299.db2.gz HKEIWNBLIJJXDI-UXLLHSPISA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000986795484 750361307 /nfs/dbraw/zinc/36/13/07/750361307.db2.gz HKEIWNBLIJJXDI-UXLLHSPISA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001028011981 750369557 /nfs/dbraw/zinc/36/95/57/750369557.db2.gz CZQDQJTURIHONY-CQSZACIVSA-N 1 1 332.404 0.107 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)nn3C)C2)nn1 ZINC001105348047 750370174 /nfs/dbraw/zinc/37/01/74/750370174.db2.gz UAFFWRBOMFZMGL-UHFFFAOYSA-N 1 1 343.435 0.937 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCNC2=O)cc1 ZINC001028066748 750464432 /nfs/dbraw/zinc/46/44/32/750464432.db2.gz IHEYOXQIXWZUEP-QGZVFWFLSA-N 1 1 340.427 0.887 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)cc1F ZINC001028072972 750488073 /nfs/dbraw/zinc/48/80/73/750488073.db2.gz PLOHIRNYGNGOTO-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)cc1F ZINC001028072972 750488078 /nfs/dbraw/zinc/48/80/78/750488078.db2.gz PLOHIRNYGNGOTO-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C)cn3)[C@@H]2C)nn1 ZINC000987131713 750517444 /nfs/dbraw/zinc/51/74/44/750517444.db2.gz GEHTXIQGQYUQHL-UONOGXRCSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nncn3C)[C@H]2C)nn1 ZINC000987171580 750545804 /nfs/dbraw/zinc/54/58/04/750545804.db2.gz XEBINYDCKYBLBK-CHWSQXEVSA-N 1 1 344.423 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN([C@H](C)C(=O)N(C)C)CC1 ZINC000981364924 750628116 /nfs/dbraw/zinc/62/81/16/750628116.db2.gz BCOLAUNOYMCLSA-CVEARBPZSA-N 1 1 334.464 0.095 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN([C@H](C)C(=O)N(C)C)CC1 ZINC000981364924 750628119 /nfs/dbraw/zinc/62/81/19/750628119.db2.gz BCOLAUNOYMCLSA-CVEARBPZSA-N 1 1 334.464 0.095 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nnc(C)[nH]2)CC1 ZINC000981365519 750628279 /nfs/dbraw/zinc/62/82/79/750628279.db2.gz PFENQRXDVQLEOW-HNNXBMFYSA-N 1 1 330.436 0.245 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nnc(C)[nH]2)CC1 ZINC000981365519 750628283 /nfs/dbraw/zinc/62/82/83/750628283.db2.gz PFENQRXDVQLEOW-HNNXBMFYSA-N 1 1 330.436 0.245 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088550376 750634311 /nfs/dbraw/zinc/63/43/11/750634311.db2.gz YHGOETYHKBJNPU-UGFHNGPFSA-N 1 1 328.372 0.746 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1Cc1ccccc1C#N ZINC001088550376 750634316 /nfs/dbraw/zinc/63/43/16/750634316.db2.gz YHGOETYHKBJNPU-UGFHNGPFSA-N 1 1 328.372 0.746 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)C(F)F)C3)C2)C1=O ZINC000981571116 750810447 /nfs/dbraw/zinc/81/04/47/750810447.db2.gz TVNRVKIXXRNQKM-LBPRGKRZSA-N 1 1 327.375 0.963 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCC3)CC2)c1 ZINC001005968716 750864590 /nfs/dbraw/zinc/86/45/90/750864590.db2.gz QHWUEGIJCYYWGN-UHFFFAOYSA-N 1 1 340.427 0.832 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001028110119 750907550 /nfs/dbraw/zinc/90/75/50/750907550.db2.gz RIPJRFZTPUGTLN-UKRRQHHQSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001028110119 750907554 /nfs/dbraw/zinc/90/75/54/750907554.db2.gz RIPJRFZTPUGTLN-UKRRQHHQSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H]2CCNC2=O)C3)[nH]1 ZINC000981718474 751008828 /nfs/dbraw/zinc/00/88/28/751008828.db2.gz NVIVSUXBROGVMS-CQSZACIVSA-N 1 1 327.388 0.313 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)c4ncc[nH]4)C3)C2)C1=O ZINC000981758598 751081441 /nfs/dbraw/zinc/08/14/41/751081441.db2.gz WGZYOHQRMHOSKT-AWEZNQCLSA-N 1 1 343.431 0.735 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001028122185 751084455 /nfs/dbraw/zinc/08/44/55/751084455.db2.gz SWVDPTWPEWMPOL-YPMHNXCESA-N 1 1 335.383 0.530 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001028122185 751084461 /nfs/dbraw/zinc/08/44/61/751084461.db2.gz SWVDPTWPEWMPOL-YPMHNXCESA-N 1 1 335.383 0.530 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3cnoc3)CC2)C1=O ZINC000981810211 751129332 /nfs/dbraw/zinc/12/93/32/751129332.db2.gz WRUVAUGIXSCMTJ-HNNXBMFYSA-N 1 1 332.404 0.538 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3cnoc3)CC2)C1=O ZINC000981810211 751129333 /nfs/dbraw/zinc/12/93/33/751129333.db2.gz WRUVAUGIXSCMTJ-HNNXBMFYSA-N 1 1 332.404 0.538 20 30 ECEDMO CCCCOCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101184996 762099826 /nfs/dbraw/zinc/09/98/26/762099826.db2.gz WTZDPCLKIMHDIH-PBHICJAKSA-N 1 1 336.436 0.223 20 30 ECEDMO CCCCOCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101184996 762099835 /nfs/dbraw/zinc/09/98/35/762099835.db2.gz WTZDPCLKIMHDIH-PBHICJAKSA-N 1 1 336.436 0.223 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC001098514237 751162632 /nfs/dbraw/zinc/16/26/32/751162632.db2.gz LWFDTHUTJUZPIS-NVXWUHKLSA-N 1 1 338.448 0.347 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001028138567 751181933 /nfs/dbraw/zinc/18/19/33/751181933.db2.gz YZMJEZFOTFTZBI-CQSZACIVSA-N 1 1 330.432 0.741 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC001028143135 751203991 /nfs/dbraw/zinc/20/39/91/751203991.db2.gz ZCBZTXXJLJHNCU-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC001028143135 751203997 /nfs/dbraw/zinc/20/39/97/751203997.db2.gz ZCBZTXXJLJHNCU-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CCOC2)C1 ZINC001006322436 751244978 /nfs/dbraw/zinc/24/49/78/751244978.db2.gz UUFQLWIIQVUAAN-LZWOXQAQSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CCOC2)C1 ZINC001006322436 751244982 /nfs/dbraw/zinc/24/49/82/751244982.db2.gz UUFQLWIIQVUAAN-LZWOXQAQSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2cocn2)C1 ZINC000987823780 751253444 /nfs/dbraw/zinc/25/34/44/751253444.db2.gz KIYPRVBBRYLNKG-ZBFHGGJFSA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2cocn2)C1 ZINC000987823780 751253448 /nfs/dbraw/zinc/25/34/48/751253448.db2.gz KIYPRVBBRYLNKG-ZBFHGGJFSA-N 1 1 344.415 0.693 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)c3ccn[nH]3)CCO2)cc1 ZINC001051455829 762109682 /nfs/dbraw/zinc/10/96/82/762109682.db2.gz QMEUUJFKLXBGQR-HNNXBMFYSA-N 1 1 325.372 0.912 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001006341418 751264726 /nfs/dbraw/zinc/26/47/26/751264726.db2.gz LZCGIUMKPIETKY-VNHYZAJKSA-N 1 1 337.464 0.881 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001006341418 751264733 /nfs/dbraw/zinc/26/47/33/751264733.db2.gz LZCGIUMKPIETKY-VNHYZAJKSA-N 1 1 337.464 0.881 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001006366230 751294102 /nfs/dbraw/zinc/29/41/02/751294102.db2.gz BUKZOHSQBXBNGK-LRDDRELGSA-N 1 1 343.431 0.947 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001068464482 790322957 /nfs/dbraw/zinc/32/29/57/790322957.db2.gz NVXAAMHLEGIWCK-UMVBOHGHSA-N 1 1 344.419 0.294 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087435968 751313849 /nfs/dbraw/zinc/31/38/49/751313849.db2.gz QLRWNJAMPWBIEO-BZUAXINKSA-N 1 1 326.400 0.275 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087435968 751313856 /nfs/dbraw/zinc/31/38/56/751313856.db2.gz QLRWNJAMPWBIEO-BZUAXINKSA-N 1 1 326.400 0.275 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001068464482 790322947 /nfs/dbraw/zinc/32/29/47/790322947.db2.gz NVXAAMHLEGIWCK-UMVBOHGHSA-N 1 1 344.419 0.294 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2c3n(c(=O)n2C)CCCC3)CC1 ZINC000981950857 751328913 /nfs/dbraw/zinc/32/89/13/751328913.db2.gz INFVWSLSDBCHSU-UHFFFAOYSA-N 1 1 330.432 0.694 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2c3n(c(=O)n2C)CCCC3)CC1 ZINC000981950857 751328919 /nfs/dbraw/zinc/32/89/19/751328919.db2.gz INFVWSLSDBCHSU-UHFFFAOYSA-N 1 1 330.432 0.694 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001028335537 752419897 /nfs/dbraw/zinc/41/98/97/752419897.db2.gz XGOXFDUECLQJDH-CYBMUJFWSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1OC ZINC001212032344 752430500 /nfs/dbraw/zinc/43/05/00/752430500.db2.gz WORPVCSURXANQF-HZPDHXFCSA-N 1 1 326.437 0.821 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001054239280 767849724 /nfs/dbraw/zinc/84/97/24/767849724.db2.gz MQRWNFGPUZAJLG-QGZVFWFLSA-N 1 1 332.404 0.600 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)COCc3cccnc3)C2)nn1 ZINC001105367790 752464849 /nfs/dbraw/zinc/46/48/49/752464849.db2.gz ANCRHHSCSXZDPK-UHFFFAOYSA-N 1 1 342.403 0.549 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nnc(C)o2)C1 ZINC001007519327 752475952 /nfs/dbraw/zinc/47/59/52/752475952.db2.gz OLBHVBBSDOPALE-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nnc(C)o2)C1 ZINC001007519327 752475954 /nfs/dbraw/zinc/47/59/54/752475954.db2.gz OLBHVBBSDOPALE-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000988657498 752494595 /nfs/dbraw/zinc/49/45/95/752494595.db2.gz UOONAZOYHIDENJ-WCQYABFASA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnccc2C)C1 ZINC000937778287 752512280 /nfs/dbraw/zinc/51/22/80/752512280.db2.gz HMMNBVNXJFRVTJ-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnccc2C)C1 ZINC000937778287 752512287 /nfs/dbraw/zinc/51/22/87/752512287.db2.gz HMMNBVNXJFRVTJ-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)C3=COCCO3)C2)C1=O ZINC001028391883 752529611 /nfs/dbraw/zinc/52/96/11/752529611.db2.gz MLSWBFPOUGLWBF-KBPBESRZSA-N 1 1 335.404 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nonc2C)[C@@H]1C ZINC000988733437 752628281 /nfs/dbraw/zinc/62/82/81/752628281.db2.gz CTERDCJYRNUPCG-RDBSUJKOSA-N 1 1 345.403 0.195 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nonc2C)[C@@H]1C ZINC000988733437 752628287 /nfs/dbraw/zinc/62/82/87/752628287.db2.gz CTERDCJYRNUPCG-RDBSUJKOSA-N 1 1 345.403 0.195 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C)nn3C)C2)C1=O ZINC001028433906 752628976 /nfs/dbraw/zinc/62/89/76/752628976.db2.gz YUUOKOKQZSRICE-HUUCEWRRSA-N 1 1 345.447 0.567 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028446643 752674484 /nfs/dbraw/zinc/67/44/84/752674484.db2.gz BSLIXKYXEPJQTA-MLGOLLRUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028446643 752674489 /nfs/dbraw/zinc/67/44/89/752674489.db2.gz BSLIXKYXEPJQTA-MLGOLLRUSA-N 1 1 344.390 0.914 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001007634824 752680473 /nfs/dbraw/zinc/68/04/73/752680473.db2.gz DYJRYVYDJSVDTQ-UPJWGTAASA-N 1 1 334.338 0.937 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001007634824 752680477 /nfs/dbraw/zinc/68/04/77/752680477.db2.gz DYJRYVYDJSVDTQ-UPJWGTAASA-N 1 1 334.338 0.937 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000938041036 752740904 /nfs/dbraw/zinc/74/09/04/752740904.db2.gz AEXBNJIHENUTQO-OFQRWUPVSA-N 1 1 343.431 0.947 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)c1 ZINC001028469744 752757577 /nfs/dbraw/zinc/75/75/77/752757577.db2.gz VFOLFPBYSIVHMV-HIFRSBDPSA-N 1 1 342.403 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000982528460 752757700 /nfs/dbraw/zinc/75/77/00/752757700.db2.gz GSKGKFNCKMSGON-GJZGRUSLSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000982528460 752757706 /nfs/dbraw/zinc/75/77/06/752757706.db2.gz GSKGKFNCKMSGON-GJZGRUSLSA-N 1 1 343.431 0.096 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC001028469179 752765023 /nfs/dbraw/zinc/76/50/23/752765023.db2.gz NGPBOBTXXWLZAU-CYBMUJFWSA-N 1 1 329.404 0.560 20 30 ECEDMO COCCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ncccc1C#N ZINC001126372363 752793476 /nfs/dbraw/zinc/79/34/76/752793476.db2.gz BMPGWLLBVMVLGN-OAHLLOKOSA-N 1 1 345.447 0.864 20 30 ECEDMO COCCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C#N)nn1 ZINC001126372759 752797306 /nfs/dbraw/zinc/79/73/06/752797306.db2.gz IWURWVOSCPCQOR-AWEZNQCLSA-N 1 1 346.435 0.259 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486461 752821294 /nfs/dbraw/zinc/82/12/94/752821294.db2.gz GFBJSJQUHCIEPQ-NWDGAFQWSA-N 1 1 329.404 0.605 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1)C1CC1 ZINC001028488887 752825002 /nfs/dbraw/zinc/82/50/02/752825002.db2.gz JQXWOPKKFBMDJP-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cscn2)C1 ZINC000982540788 752827258 /nfs/dbraw/zinc/82/72/58/752827258.db2.gz XJKNEPDIDJCEKR-HIFRSBDPSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cscn2)C1 ZINC000982540788 752827267 /nfs/dbraw/zinc/82/72/67/752827267.db2.gz XJKNEPDIDJCEKR-HIFRSBDPSA-N 1 1 346.456 0.819 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000982544378 752849194 /nfs/dbraw/zinc/84/91/94/752849194.db2.gz BZOHZFSCZCRSCH-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000982546934 752859249 /nfs/dbraw/zinc/85/92/49/752859249.db2.gz NKHCKLNQNIFALB-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001007751722 752896273 /nfs/dbraw/zinc/89/62/73/752896273.db2.gz ANCCZNJUADFHNX-XJKSGUPXSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001007751722 752896275 /nfs/dbraw/zinc/89/62/75/752896275.db2.gz ANCCZNJUADFHNX-XJKSGUPXSA-N 1 1 345.447 0.953 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)CN1C(=O)C#CC1CC1 ZINC000988828749 752941680 /nfs/dbraw/zinc/94/16/80/752941680.db2.gz XXMWDCNTGDIGAQ-JSGCOSHPSA-N 1 1 329.404 0.301 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001059934835 752955121 /nfs/dbraw/zinc/95/51/21/752955121.db2.gz VKZNWHJZKIEBFQ-KRWDZBQOSA-N 1 1 349.475 0.723 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)s1 ZINC001028519927 753047125 /nfs/dbraw/zinc/04/71/25/753047125.db2.gz WGKPQJILPMSAQG-GWCFXTLKSA-N 1 1 334.401 0.666 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC001126378418 753065630 /nfs/dbraw/zinc/06/56/30/753065630.db2.gz MKZRBGXDVQASON-CYBMUJFWSA-N 1 1 334.342 0.972 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028536163 753095353 /nfs/dbraw/zinc/09/53/53/753095353.db2.gz NIOAKAKHDFNEAR-KBPBESRZSA-N 1 1 331.420 0.777 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028536804 753096638 /nfs/dbraw/zinc/09/66/38/753096638.db2.gz YOVPNSPZXYNYHH-ZIAGYGMSSA-N 1 1 329.404 0.224 20 30 ECEDMO CC(C)Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 ZINC001051493961 762204092 /nfs/dbraw/zinc/20/40/92/762204092.db2.gz CNECTKDGUIABFT-KBPBESRZSA-N 1 1 334.424 0.411 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001008122644 753339294 /nfs/dbraw/zinc/33/92/94/753339294.db2.gz SWPCLZBMVMLICB-CQSZACIVSA-N 1 1 327.388 0.100 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC001051495105 762207695 /nfs/dbraw/zinc/20/76/95/762207695.db2.gz QVJRXJZLROJPOS-GXTWGEPZSA-N 1 1 334.424 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000982715953 753393897 /nfs/dbraw/zinc/39/38/97/753393897.db2.gz POWJLCZMPQPNLD-OWCLPIDISA-N 1 1 335.448 0.066 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000982715953 753393905 /nfs/dbraw/zinc/39/39/05/753393905.db2.gz POWJLCZMPQPNLD-OWCLPIDISA-N 1 1 335.448 0.066 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)C1 ZINC001008169755 753410107 /nfs/dbraw/zinc/41/01/07/753410107.db2.gz ISVFTDVWQZRFCI-SWLSCSKDSA-N 1 1 343.431 0.805 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001008175741 753422506 /nfs/dbraw/zinc/42/25/06/753422506.db2.gz JHHPEUMISFCZBO-CVEARBPZSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001008175741 753422511 /nfs/dbraw/zinc/42/25/11/753422511.db2.gz JHHPEUMISFCZBO-CVEARBPZSA-N 1 1 341.415 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nncs2)[C@@H]1C ZINC001088631602 753431324 /nfs/dbraw/zinc/43/13/24/753431324.db2.gz WDXUOJQOLVHCDA-RDBSUJKOSA-N 1 1 333.461 0.715 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nncs2)[C@@H]1C ZINC001088631602 753431328 /nfs/dbraw/zinc/43/13/28/753431328.db2.gz WDXUOJQOLVHCDA-RDBSUJKOSA-N 1 1 333.461 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2ncc[nH]2)CC1(C)C ZINC001008275053 753537398 /nfs/dbraw/zinc/53/73/98/753537398.db2.gz DWYKKEBCHGKGBZ-KBPBESRZSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2ncc[nH]2)CC1(C)C ZINC001008275053 753537404 /nfs/dbraw/zinc/53/74/04/753537404.db2.gz DWYKKEBCHGKGBZ-KBPBESRZSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](OC)C(C)C)C1 ZINC000989278918 753562487 /nfs/dbraw/zinc/56/24/87/753562487.db2.gz UBQPDZBENIFXMD-YESZJQIVSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](OC)C(C)C)C1 ZINC000989278918 753562492 /nfs/dbraw/zinc/56/24/92/753562492.db2.gz UBQPDZBENIFXMD-YESZJQIVSA-N 1 1 349.475 0.862 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000982786274 753565987 /nfs/dbraw/zinc/56/59/87/753565987.db2.gz FOFKOHMKZHYPSU-HOTGVXAUSA-N 1 1 340.427 0.593 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001098682752 753684934 /nfs/dbraw/zinc/68/49/34/753684934.db2.gz GEGPALOTYRUTGX-QGZVFWFLSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001098682752 753684935 /nfs/dbraw/zinc/68/49/35/753684935.db2.gz GEGPALOTYRUTGX-QGZVFWFLSA-N 1 1 344.463 0.649 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001028592938 753738784 /nfs/dbraw/zinc/73/87/84/753738784.db2.gz DWRWTDGBJFOEKQ-OAHLLOKOSA-N 1 1 345.447 0.751 20 30 ECEDMO C=CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685180 753763288 /nfs/dbraw/zinc/76/32/88/753763288.db2.gz ASTPHTANERSXCT-HZPDHXFCSA-N 1 1 332.452 0.811 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001008470698 753774218 /nfs/dbraw/zinc/77/42/18/753774218.db2.gz VXANYRAZXUMKFQ-CVEARBPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001008470698 753774224 /nfs/dbraw/zinc/77/42/24/753774224.db2.gz VXANYRAZXUMKFQ-CVEARBPZSA-N 1 1 326.400 0.536 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583318 753865412 /nfs/dbraw/zinc/86/54/12/753865412.db2.gz SLQWGYOTRKGNPP-IRXDYDNUSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ncnn2CC)C1 ZINC001028601828 753879960 /nfs/dbraw/zinc/87/99/60/753879960.db2.gz VYELBMMTTLQESS-HOTGVXAUSA-N 1 1 344.463 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ncnn2CC)C1 ZINC001028601828 753879973 /nfs/dbraw/zinc/87/99/73/753879973.db2.gz VYELBMMTTLQESS-HOTGVXAUSA-N 1 1 344.463 0.334 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 ZINC001008552402 753906676 /nfs/dbraw/zinc/90/66/76/753906676.db2.gz BSIQQOZBKNLMJZ-OAGGEKHMSA-N 1 1 326.400 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000982859205 754011773 /nfs/dbraw/zinc/01/17/73/754011773.db2.gz HUFSBWTWVKIORY-HOCLYGCPSA-N 1 1 328.416 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000982859205 754011779 /nfs/dbraw/zinc/01/17/79/754011779.db2.gz HUFSBWTWVKIORY-HOCLYGCPSA-N 1 1 328.416 0.691 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1nc3ncccn3n1)C2 ZINC001054239305 767849897 /nfs/dbraw/zinc/84/98/97/767849897.db2.gz GKDKEVZUNUKMQU-GOSISDBHSA-N 1 1 338.415 0.615 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCN(CC)C3=O)CC2)cn1 ZINC000989512533 754063330 /nfs/dbraw/zinc/06/33/30/754063330.db2.gz NLPNUNJSDUWMDX-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCN(CC)C3=O)CC2)cn1 ZINC000989512533 754063335 /nfs/dbraw/zinc/06/33/35/754063335.db2.gz NLPNUNJSDUWMDX-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nccc(C)n3)C[C@@H]2C)nn1 ZINC000989535416 754077850 /nfs/dbraw/zinc/07/78/50/754077850.db2.gz AYSANOSBZCAYHG-UONOGXRCSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nncs3)C[C@@H]2C)nn1 ZINC000989536041 754079573 /nfs/dbraw/zinc/07/95/73/754079573.db2.gz IBJVRKYVHFVFBZ-WDEREUQCSA-N 1 1 333.421 0.708 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001008785875 754116013 /nfs/dbraw/zinc/11/60/13/754116013.db2.gz ACKXXKHCZULYPH-WBVHZDCISA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001008785875 754116016 /nfs/dbraw/zinc/11/60/16/754116016.db2.gz ACKXXKHCZULYPH-WBVHZDCISA-N 1 1 341.411 0.781 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNc1nc(C)ccc1C#N ZINC001105866757 762272100 /nfs/dbraw/zinc/27/21/00/762272100.db2.gz IUXVNYGMVJYMPW-AWEZNQCLSA-N 1 1 328.376 0.356 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000982921220 754200080 /nfs/dbraw/zinc/20/00/80/754200080.db2.gz HFSGLNNDFMTFGL-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000982921220 754200083 /nfs/dbraw/zinc/20/00/83/754200083.db2.gz HFSGLNNDFMTFGL-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccon2)C1 ZINC000982923040 754204736 /nfs/dbraw/zinc/20/47/36/754204736.db2.gz NMFNFMRKOBDCAB-ZFWWWQNUSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccon2)C1 ZINC000982923040 754204741 /nfs/dbraw/zinc/20/47/41/754204741.db2.gz NMFNFMRKOBDCAB-ZFWWWQNUSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cscn2)C1 ZINC000982923818 754206980 /nfs/dbraw/zinc/20/69/80/754206980.db2.gz RQNRUCGPOOFAIF-HIFRSBDPSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cscn2)C1 ZINC000982923818 754206985 /nfs/dbraw/zinc/20/69/85/754206985.db2.gz RQNRUCGPOOFAIF-HIFRSBDPSA-N 1 1 346.456 0.819 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028659081 754380328 /nfs/dbraw/zinc/38/03/28/754380328.db2.gz NSNGNSGZPBWKEC-LLVKDONJSA-N 1 1 327.406 0.555 20 30 ECEDMO CC[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261833499 754417460 /nfs/dbraw/zinc/41/74/60/754417460.db2.gz VPSWUEMLIAQWLA-RBSFLKMASA-N 1 1 325.501 0.601 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cn3ccnc3)CC2)C1=O ZINC000989787688 754446179 /nfs/dbraw/zinc/44/61/79/754446179.db2.gz UKQCPXWIQPKSSV-OAHLLOKOSA-N 1 1 331.420 0.204 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cn3ccnc3)CC2)C1=O ZINC000989787688 754446181 /nfs/dbraw/zinc/44/61/81/754446181.db2.gz UKQCPXWIQPKSSV-OAHLLOKOSA-N 1 1 331.420 0.204 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3nonc3C)C2)C1=O ZINC001009035028 754461004 /nfs/dbraw/zinc/46/10/04/754461004.db2.gz AUCJUTZPBZBEKB-UKRRQHHQSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3nonc3C)C2)C1=O ZINC001009035028 754461007 /nfs/dbraw/zinc/46/10/07/754461007.db2.gz AUCJUTZPBZBEKB-UKRRQHHQSA-N 1 1 347.419 0.288 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001009121954 754553019 /nfs/dbraw/zinc/55/30/19/754553019.db2.gz IVWSCNFIMPPLQR-AWEZNQCLSA-N 1 1 331.420 0.847 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001009121954 754553024 /nfs/dbraw/zinc/55/30/24/754553024.db2.gz IVWSCNFIMPPLQR-AWEZNQCLSA-N 1 1 331.420 0.847 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001009228731 754684694 /nfs/dbraw/zinc/68/46/94/754684694.db2.gz QCKKEZDCSYATAA-NXOAAHMSSA-N 1 1 329.444 0.705 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCCNC3=O)C2)nc1 ZINC001009252797 754711486 /nfs/dbraw/zinc/71/14/86/754711486.db2.gz KUULJUVHKNCCPN-GDBMZVCRSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)nc1 ZINC001009252797 754711488 /nfs/dbraw/zinc/71/14/88/754711488.db2.gz KUULJUVHKNCCPN-GDBMZVCRSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCOC(C)C ZINC001075692636 754741675 /nfs/dbraw/zinc/74/16/75/754741675.db2.gz HXGTWIZJBYKRMF-HOTGVXAUSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCOC(C)C ZINC001075692636 754741677 /nfs/dbraw/zinc/74/16/77/754741677.db2.gz HXGTWIZJBYKRMF-HOTGVXAUSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001028712751 754799916 /nfs/dbraw/zinc/79/99/16/754799916.db2.gz YQAWLYHIMRZULO-LSDHHAIUSA-N 1 1 330.432 0.999 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001028715795 754814684 /nfs/dbraw/zinc/81/46/84/754814684.db2.gz JPQAOHPHVXVRLE-QLFBSQMISA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001028715795 754814688 /nfs/dbraw/zinc/81/46/88/754814688.db2.gz JPQAOHPHVXVRLE-QLFBSQMISA-N 1 1 343.855 0.813 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC001075696488 754919524 /nfs/dbraw/zinc/91/95/24/754919524.db2.gz FYWXKHBVXDNFIV-NILFDRSVSA-N 1 1 327.388 0.263 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)C1=O ZINC000990286410 754922792 /nfs/dbraw/zinc/92/27/92/754922792.db2.gz CVBWGHSFFOSGEU-HDMKZQKVSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001028737037 754927747 /nfs/dbraw/zinc/92/77/47/754927747.db2.gz MDRSIVPEUWGJDK-JKSUJKDBSA-N 1 1 326.400 0.632 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2oncc2C)C1 ZINC000983229013 754928993 /nfs/dbraw/zinc/92/89/93/754928993.db2.gz CJHMNEBYCLHFOZ-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2oncc2C)C1 ZINC000983229013 754928998 /nfs/dbraw/zinc/92/89/98/754928998.db2.gz CJHMNEBYCLHFOZ-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001028740684 754944940 /nfs/dbraw/zinc/94/49/40/754944940.db2.gz RVIOAYRMUOATHA-BXUZGUMPSA-N 1 1 347.444 0.581 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001028744574 754953954 /nfs/dbraw/zinc/95/39/54/754953954.db2.gz OMVRSUAJYAKIJW-GFCCVEGCSA-N 1 1 343.366 0.473 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001028744574 754953956 /nfs/dbraw/zinc/95/39/56/754953956.db2.gz OMVRSUAJYAKIJW-GFCCVEGCSA-N 1 1 343.366 0.473 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001009526558 754978919 /nfs/dbraw/zinc/97/89/19/754978919.db2.gz ZXGIKYLDSPNIPV-CVEARBPZSA-N 1 1 345.447 0.559 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)ccc1F ZINC001028772910 755057151 /nfs/dbraw/zinc/05/71/51/755057151.db2.gz HOPKWQIKKSKQFT-SWLSCSKDSA-N 1 1 345.378 0.317 20 30 ECEDMO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CNC(=O)N1 ZINC001028774621 755066189 /nfs/dbraw/zinc/06/61/89/755066189.db2.gz YEODDOSSWVOLAD-HOTGVXAUSA-N 1 1 326.400 0.158 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000983306446 755116475 /nfs/dbraw/zinc/11/64/75/755116475.db2.gz SXULCPBWSQIVPY-UONOGXRCSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001028792643 755141217 /nfs/dbraw/zinc/14/12/17/755141217.db2.gz KQNGHRPWZYSCIX-OAHLLOKOSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CNc3ccncc3C#N)C2)C1 ZINC001060034495 755160652 /nfs/dbraw/zinc/16/06/52/755160652.db2.gz JYTPGNSVEMBNDC-CABCVRRESA-N 1 1 327.432 0.977 20 30 ECEDMO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001060035434 755177439 /nfs/dbraw/zinc/17/74/39/755177439.db2.gz GSELQOOEEOEKDA-OAHLLOKOSA-N 1 1 325.453 0.886 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C ZINC001088725534 755277077 /nfs/dbraw/zinc/27/70/77/755277077.db2.gz VKWVDWMKQSXEBS-KGLIPLIRSA-N 1 1 334.420 0.658 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083470673 755322375 /nfs/dbraw/zinc/32/23/75/755322375.db2.gz GGOJEOJJVJOSLE-NCOADZHNSA-N 1 1 348.447 0.105 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001028858179 755323418 /nfs/dbraw/zinc/32/34/18/755323418.db2.gz NHIADAJMWBELTO-ZIAGYGMSSA-N 1 1 348.451 0.383 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001028899491 755430211 /nfs/dbraw/zinc/43/02/11/755430211.db2.gz KWHUUHOWFSQXAW-CABCVRRESA-N 1 1 331.420 0.390 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001009855149 755453173 /nfs/dbraw/zinc/45/31/73/755453173.db2.gz YHWMQTDLPPLLRV-INIZCTEOSA-N 1 1 326.400 0.464 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001009855149 755453177 /nfs/dbraw/zinc/45/31/77/755453177.db2.gz YHWMQTDLPPLLRV-INIZCTEOSA-N 1 1 326.400 0.464 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cn(CCOC)nn3)CCC[C@@H]12 ZINC000990588650 755455936 /nfs/dbraw/zinc/45/59/36/755455936.db2.gz LZTCARDYLVXRSN-WBVHZDCISA-N 1 1 331.420 0.675 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001028919391 755479123 /nfs/dbraw/zinc/47/91/23/755479123.db2.gz VKKRSNYRMBOTPA-CHWSQXEVSA-N 1 1 332.404 0.572 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)C1 ZINC001040263383 755489224 /nfs/dbraw/zinc/48/92/24/755489224.db2.gz DMWXITLZSFBBQH-ZBFHGGJFSA-N 1 1 326.462 0.757 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)ccc1F ZINC001010091521 755645884 /nfs/dbraw/zinc/64/58/84/755645884.db2.gz BZHYHMBDEGUWSL-CYBMUJFWSA-N 1 1 329.339 0.075 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)ccc1F ZINC001010091521 755645887 /nfs/dbraw/zinc/64/58/87/755645887.db2.gz BZHYHMBDEGUWSL-CYBMUJFWSA-N 1 1 329.339 0.075 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC2(CCN(CC#N)CC2)O1 ZINC001098656167 755667962 /nfs/dbraw/zinc/66/79/62/755667962.db2.gz QATPPHWRNAUUBF-HZPDHXFCSA-N 1 1 334.464 0.934 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1Cc1ccccc1C#N ZINC001088794000 755711510 /nfs/dbraw/zinc/71/15/10/755711510.db2.gz ZPJXAUPWUVHDSK-KCXAZCMYSA-N 1 1 326.400 0.773 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1Cc1ccccc1C#N ZINC001088794000 755711515 /nfs/dbraw/zinc/71/15/15/755711515.db2.gz ZPJXAUPWUVHDSK-KCXAZCMYSA-N 1 1 326.400 0.773 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(C#N)n1 ZINC001105670948 755728976 /nfs/dbraw/zinc/72/89/76/755728976.db2.gz WSFULDNJKVPCDP-UONOGXRCSA-N 1 1 330.436 0.809 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn3c2cccc3OC)[C@@H](O)C1 ZINC001083502102 755746057 /nfs/dbraw/zinc/74/60/57/755746057.db2.gz UPWJLVSTQKRQAP-HIFRSBDPSA-N 1 1 328.372 0.141 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2cccc3OC)[C@@H](O)C1 ZINC001083502102 755746059 /nfs/dbraw/zinc/74/60/59/755746059.db2.gz UPWJLVSTQKRQAP-HIFRSBDPSA-N 1 1 328.372 0.141 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CN3CCOCC3)C2)nn1 ZINC001098658382 755753320 /nfs/dbraw/zinc/75/33/20/755753320.db2.gz FUIADOFKEFYKAT-INIZCTEOSA-N 1 1 348.451 0.049 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(OC)cc3)[C@@H]2C1 ZINC001076003015 755803352 /nfs/dbraw/zinc/80/33/52/755803352.db2.gz OHNZSHRUEKBICB-XJKSGUPXSA-N 1 1 327.384 0.800 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(OC)cc3)[C@@H]2C1 ZINC001076003015 755803358 /nfs/dbraw/zinc/80/33/58/755803358.db2.gz OHNZSHRUEKBICB-XJKSGUPXSA-N 1 1 327.384 0.800 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001010224303 755838898 /nfs/dbraw/zinc/83/88/98/755838898.db2.gz XOXUBMIEPZUHNQ-ZFWWWQNUSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001010224303 755838905 /nfs/dbraw/zinc/83/89/05/755838905.db2.gz XOXUBMIEPZUHNQ-ZFWWWQNUSA-N 1 1 331.420 0.320 20 30 ECEDMO C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522921 755890401 /nfs/dbraw/zinc/89/04/01/755890401.db2.gz CTLDUFVJUNSXLQ-IKGGRYGDSA-N 1 1 337.464 0.367 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001060087643 755917210 /nfs/dbraw/zinc/91/72/10/755917210.db2.gz JTOLMOWUWBZXEY-HUUCEWRRSA-N 1 1 342.447 0.762 20 30 ECEDMO CC#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CC(=O)NC)CC1 ZINC001105678368 755918868 /nfs/dbraw/zinc/91/88/68/755918868.db2.gz GXLUMIRROXHFIR-CALCHBBNSA-N 1 1 346.475 0.285 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001060088205 755920271 /nfs/dbraw/zinc/92/02/71/755920271.db2.gz XCEBFPUAMMDDOD-HUUCEWRRSA-N 1 1 342.447 0.905 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC(F)(F)F)c2)[C@@H](O)C1 ZINC001083527384 755932778 /nfs/dbraw/zinc/93/27/78/755932778.db2.gz PWQVUYQJYKGCSK-NEPJUHHUSA-N 1 1 332.326 0.796 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@H](COC)OC)CC1 ZINC001105679804 755968168 /nfs/dbraw/zinc/96/81/68/755968168.db2.gz GNLFZFCNQDFRPT-KSZLIROESA-N 1 1 349.475 0.421 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)[C@@H](O)C1 ZINC001083537468 755981552 /nfs/dbraw/zinc/98/15/52/755981552.db2.gz XUEQVSNWCCITFX-NCOADZHNSA-N 1 1 348.447 0.625 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@@H](O)C1 ZINC001083538439 755987061 /nfs/dbraw/zinc/98/70/61/755987061.db2.gz YMQQEWCBVKBTFN-LVQVYYBASA-N 1 1 346.431 0.072 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@H+](C)CCO2)nc1 ZINC001076027370 756009371 /nfs/dbraw/zinc/00/93/71/756009371.db2.gz NIFGQRIKPCXRMW-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)nc1 ZINC001076027370 756009375 /nfs/dbraw/zinc/00/93/75/756009375.db2.gz NIFGQRIKPCXRMW-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001010337054 756019050 /nfs/dbraw/zinc/01/90/50/756019050.db2.gz CBCKHLXRZOUMTD-KGLIPLIRSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001010337054 756019060 /nfs/dbraw/zinc/01/90/60/756019060.db2.gz CBCKHLXRZOUMTD-KGLIPLIRSA-N 1 1 331.420 0.320 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@]2(C3CCCC3)CCNC2=O)[C@@H](O)C1 ZINC001083539305 756021651 /nfs/dbraw/zinc/02/16/51/756021651.db2.gz QBACCJLFGMXKFS-RVKKMQEKSA-N 1 1 335.448 0.420 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnc(F)c3)C2)C1=O ZINC001010358921 756039307 /nfs/dbraw/zinc/03/93/07/756039307.db2.gz SQIZDUWDAVZCGL-ZIAGYGMSSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccnc(F)c3)C2)C1=O ZINC001010358921 756039314 /nfs/dbraw/zinc/03/93/14/756039314.db2.gz SQIZDUWDAVZCGL-ZIAGYGMSSA-N 1 1 332.379 0.812 20 30 ECEDMO CC#CCN1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070307 756055792 /nfs/dbraw/zinc/05/57/92/756055792.db2.gz DEVWOKHMNWHDHW-RWBIUQBRSA-N 1 1 329.444 0.406 20 30 ECEDMO CC#CCN1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070307 756055798 /nfs/dbraw/zinc/05/57/98/756055798.db2.gz DEVWOKHMNWHDHW-RWBIUQBRSA-N 1 1 329.444 0.406 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001076074212 756059298 /nfs/dbraw/zinc/05/92/98/756059298.db2.gz QVEDMQLYYIJETE-QWHCGFSZSA-N 1 1 331.420 0.995 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC001076079351 756070191 /nfs/dbraw/zinc/07/01/91/756070191.db2.gz RIQHADLCTPCDET-AEGPPILISA-N 1 1 329.404 0.474 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CC3CCOCC3)C2)C1=O ZINC001010403726 756086815 /nfs/dbraw/zinc/08/68/15/756086815.db2.gz VJIDYCFUJKURIF-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CC3CCOCC3)C2)C1=O ZINC001010403726 756086818 /nfs/dbraw/zinc/08/68/18/756086818.db2.gz VJIDYCFUJKURIF-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)[C@@H]2C1 ZINC001076108574 756093983 /nfs/dbraw/zinc/09/39/83/756093983.db2.gz WQNDFDAKYWNJNS-LSDHHAIUSA-N 1 1 341.415 0.605 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1 ZINC001076138365 756125977 /nfs/dbraw/zinc/12/59/77/756125977.db2.gz WHDXOCHQAQXPNE-LSDHHAIUSA-N 1 1 337.387 0.428 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cncc(F)c3)C2)C1=O ZINC001010512052 756196472 /nfs/dbraw/zinc/19/64/72/756196472.db2.gz KWRKHYVBTHSRDV-CABCVRRESA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cncc(F)c3)C2)C1=O ZINC001010512052 756196475 /nfs/dbraw/zinc/19/64/75/756196475.db2.gz KWRKHYVBTHSRDV-CABCVRRESA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001010535114 756216281 /nfs/dbraw/zinc/21/62/81/756216281.db2.gz MLDVLQJQXFLXBE-DZGCQCFKSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001010535114 756216284 /nfs/dbraw/zinc/21/62/84/756216284.db2.gz MLDVLQJQXFLXBE-DZGCQCFKSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001010535114 756216287 /nfs/dbraw/zinc/21/62/87/756216287.db2.gz MLDVLQJQXFLXBE-DZGCQCFKSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001010535114 756216289 /nfs/dbraw/zinc/21/62/89/756216289.db2.gz MLDVLQJQXFLXBE-DZGCQCFKSA-N 1 1 331.420 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)COC(C)(C)C ZINC001076214374 756226912 /nfs/dbraw/zinc/22/69/12/756226912.db2.gz IIBSXMSRLFSCPN-GJZGRUSLSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)COC(C)(C)C ZINC001076214374 756226915 /nfs/dbraw/zinc/22/69/15/756226915.db2.gz IIBSXMSRLFSCPN-GJZGRUSLSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(OC)no1 ZINC001076229660 756245206 /nfs/dbraw/zinc/24/52/06/756245206.db2.gz QVZNFXGUNOUSOV-STQMWFEESA-N 1 1 348.403 0.405 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(OC)no1 ZINC001076229660 756245215 /nfs/dbraw/zinc/24/52/15/756245215.db2.gz QVZNFXGUNOUSOV-STQMWFEESA-N 1 1 348.403 0.405 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001076267659 756304961 /nfs/dbraw/zinc/30/49/61/756304961.db2.gz CXLUYSAVZNTGJQ-SOUVJXGZSA-N 1 1 328.420 0.182 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1C ZINC001051610516 762461136 /nfs/dbraw/zinc/46/11/36/762461136.db2.gz CQMVPEJYECGRNE-OAHLLOKOSA-N 1 1 345.447 0.669 20 30 ECEDMO CCCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051611640 762465601 /nfs/dbraw/zinc/46/56/01/762465601.db2.gz MVHQOQIVHURKOH-MRXNPFEDSA-N 1 1 345.447 0.727 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)c[nH]1 ZINC001010699507 756414860 /nfs/dbraw/zinc/41/48/60/756414860.db2.gz UTLDOFBTEIIVJV-CZUORRHYSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)c[nH]1 ZINC001010699507 756414865 /nfs/dbraw/zinc/41/48/65/756414865.db2.gz UTLDOFBTEIIVJV-CZUORRHYSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cccnn4)[C@@H]3C2)C1=O ZINC001076386275 756451262 /nfs/dbraw/zinc/45/12/62/756451262.db2.gz KUDCWVZLROYKGE-CWRNSKLLSA-N 1 1 341.415 0.410 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051612808 762469610 /nfs/dbraw/zinc/46/96/10/762469610.db2.gz UPIVKRNMRQWVIT-CQSZACIVSA-N 1 1 346.435 0.159 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001010743938 756471798 /nfs/dbraw/zinc/47/17/98/756471798.db2.gz XHANAFAMATXMTE-UKRRQHHQSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001010743938 756471799 /nfs/dbraw/zinc/47/17/99/756471799.db2.gz XHANAFAMATXMTE-UKRRQHHQSA-N 1 1 331.420 0.494 20 30 ECEDMO Cn1oc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)cc1=O ZINC001010772740 756504336 /nfs/dbraw/zinc/50/43/36/756504336.db2.gz JMQTZERNABIHCQ-HNNXBMFYSA-N 1 1 325.368 0.834 20 30 ECEDMO Cn1oc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1=O ZINC001010772740 756504343 /nfs/dbraw/zinc/50/43/43/756504343.db2.gz JMQTZERNABIHCQ-HNNXBMFYSA-N 1 1 325.368 0.834 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nccn3CC)C2)nn1 ZINC001098663271 756517982 /nfs/dbraw/zinc/51/79/82/756517982.db2.gz BBGPGWCRQYFYFC-CQSZACIVSA-N 1 1 329.408 0.857 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076440614 756518715 /nfs/dbraw/zinc/51/87/15/756518715.db2.gz CIZZZZMQEDLFIF-OFQRWUPVSA-N 1 1 329.404 0.409 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccn(CC)n1 ZINC001076489523 756574785 /nfs/dbraw/zinc/57/47/85/756574785.db2.gz UASGFPSUHYXHBQ-HOCLYGCPSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccn(CC)n1 ZINC001076489523 756574789 /nfs/dbraw/zinc/57/47/89/756574789.db2.gz UASGFPSUHYXHBQ-HOCLYGCPSA-N 1 1 345.447 0.625 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076503712 756587180 /nfs/dbraw/zinc/58/71/80/756587180.db2.gz UARJXQBRJLNKNT-GZBFAFLISA-N 1 1 327.450 0.177 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1c1ccnc(C#N)n1 ZINC001060124278 756623623 /nfs/dbraw/zinc/62/36/23/756623623.db2.gz XIYRBTBFRFVSJK-ZIAGYGMSSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011012718 756765565 /nfs/dbraw/zinc/76/55/65/756765565.db2.gz FVKUXQSCTMVPFH-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@H](C)OC)nn2)C1 ZINC001098666562 756929932 /nfs/dbraw/zinc/92/99/32/756929932.db2.gz ASALRZLLEACYFR-GOEBONIOSA-N 1 1 333.436 0.980 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCOC)C1 ZINC001111647475 756935183 /nfs/dbraw/zinc/93/51/83/756935183.db2.gz TZFIEAMLUKBSND-YJBOKZPZSA-N 1 1 335.448 0.523 20 30 ECEDMO O=C(C#CC1CC1)N1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001011109350 756939422 /nfs/dbraw/zinc/93/94/22/756939422.db2.gz ATWFVPHGAPQCKN-IRXDYDNUSA-N 1 1 329.444 0.945 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)[nH]1 ZINC001048771462 756944611 /nfs/dbraw/zinc/94/46/11/756944611.db2.gz LVXMJNQLZCJMDJ-ZOWXZIJZSA-N 1 1 327.388 0.169 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)C1=O ZINC001048771364 756944713 /nfs/dbraw/zinc/94/47/13/756944713.db2.gz IRFKKTHGUHTUIP-ZENOOKHLSA-N 1 1 341.415 0.511 20 30 ECEDMO Cn1nccc1CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048772312 756945565 /nfs/dbraw/zinc/94/55/65/756945565.db2.gz XHWYEZLNLVCARJ-OKILXGFUSA-N 1 1 338.415 0.866 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107140438 756961109 /nfs/dbraw/zinc/96/11/09/756961109.db2.gz FCPNARDPWJHVNH-STQMWFEESA-N 1 1 337.424 0.113 20 30 ECEDMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048778576 756964330 /nfs/dbraw/zinc/96/43/30/756964330.db2.gz CRXZAPCEHBOPKV-BETUJISGSA-N 1 1 325.376 0.219 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)C1=O ZINC001048779446 756967128 /nfs/dbraw/zinc/96/71/28/756967128.db2.gz VQQXKVXMSZGLTP-IJEWVQPXSA-N 1 1 341.415 0.511 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)C[C@@H]3C2)c[nH]1 ZINC001048779641 756967758 /nfs/dbraw/zinc/96/77/58/756967758.db2.gz ZEADYTVDYRUTRQ-OKILXGFUSA-N 1 1 325.376 0.182 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3ccc(=O)n(C)c3=O)CCC[C@@H]12 ZINC000990970546 757099414 /nfs/dbraw/zinc/09/94/14/757099414.db2.gz AGEHHSYUUDORNQ-RDTXWAMCSA-N 1 1 346.431 0.236 20 30 ECEDMO C=CCCC[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)n[nH]3)nn2)C1 ZINC001107158937 757130746 /nfs/dbraw/zinc/13/07/46/757130746.db2.gz GWUMJAHOVWWGGX-UHFFFAOYSA-N 1 1 343.435 0.991 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001048832941 757138552 /nfs/dbraw/zinc/13/85/52/757138552.db2.gz ZIIMXVCAAAUWLZ-GJZGRUSLSA-N 1 1 346.431 0.271 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3ccc(=O)n(C)c3=O)CCC[C@H]12 ZINC000990975065 757143249 /nfs/dbraw/zinc/14/32/49/757143249.db2.gz SZDLVZJXYCKLSI-KBXCAEBGSA-N 1 1 346.431 0.236 20 30 ECEDMO O=C(Cn1nccn1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048843185 757155724 /nfs/dbraw/zinc/15/57/24/757155724.db2.gz WLMSTFMLCVIOQV-HDICACEKSA-N 1 1 335.411 0.720 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001048844354 757158186 /nfs/dbraw/zinc/15/81/86/757158186.db2.gz IPTKHWBNBVFGQS-IKGGRYGDSA-N 1 1 349.475 0.549 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC001011193223 757166407 /nfs/dbraw/zinc/16/64/07/757166407.db2.gz KUQARANHCAKDSM-AWEZNQCLSA-N 1 1 329.404 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC001011193223 757166414 /nfs/dbraw/zinc/16/64/14/757166414.db2.gz KUQARANHCAKDSM-AWEZNQCLSA-N 1 1 329.404 0.100 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(CC)C3)C[C@H]2C1 ZINC001048850286 757180375 /nfs/dbraw/zinc/18/03/75/757180375.db2.gz CDDRDUFJMCYVAV-MELADBBJSA-N 1 1 325.840 0.998 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)cc1 ZINC001076793741 757190862 /nfs/dbraw/zinc/19/08/62/757190862.db2.gz KXICGOTUPBTPFL-BRWVUGGUSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)cc1 ZINC001076793741 757190868 /nfs/dbraw/zinc/19/08/68/757190868.db2.gz KXICGOTUPBTPFL-BRWVUGGUSA-N 1 1 329.400 0.646 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001048869869 757237381 /nfs/dbraw/zinc/23/73/81/757237381.db2.gz GJUPZJTYVYJUDY-BDXSIMOUSA-N 1 1 331.460 0.511 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001076812707 757258097 /nfs/dbraw/zinc/25/80/97/757258097.db2.gz RBDNAQHIJOQHMU-IXDOHACOSA-N 1 1 346.406 0.453 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@H]2C1 ZINC001048890715 757310452 /nfs/dbraw/zinc/31/04/52/757310452.db2.gz DTLRUDCJABPQDG-RQJABVFESA-N 1 1 346.349 0.746 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccnc(N4CCCC4)n3)C[C@H]2C1 ZINC001048908894 757362862 /nfs/dbraw/zinc/36/28/62/757362862.db2.gz WLSFREBFHOVPLS-GASCZTMLSA-N 1 1 325.416 0.714 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N[C@@H](CC(C)C)C3)C[C@H]2C1 ZINC001048911260 757368744 /nfs/dbraw/zinc/36/87/44/757368744.db2.gz ARWKOULPCVEHFA-NCOADZHNSA-N 1 1 331.460 0.951 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001021385289 757375916 /nfs/dbraw/zinc/37/59/16/757375916.db2.gz SWEQVXRZMNTNKY-BMRXWSCTSA-N 1 1 335.448 0.777 20 30 ECEDMO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001076854515 757395141 /nfs/dbraw/zinc/39/51/41/757395141.db2.gz LKOYLKJUWVURJH-ZIAGYGMSSA-N 1 1 345.428 0.935 20 30 ECEDMO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001076854515 757395151 /nfs/dbraw/zinc/39/51/51/757395151.db2.gz LKOYLKJUWVURJH-ZIAGYGMSSA-N 1 1 345.428 0.935 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2O)c1 ZINC001076855916 757399414 /nfs/dbraw/zinc/39/94/14/757399414.db2.gz SNYBSJGZISMHRW-IAGOWNOFSA-N 1 1 340.383 0.354 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2O)c1 ZINC001076855916 757399421 /nfs/dbraw/zinc/39/94/21/757399421.db2.gz SNYBSJGZISMHRW-IAGOWNOFSA-N 1 1 340.383 0.354 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc4c(n3)OCCO4)C[C@H]2C1 ZINC001048918829 757409534 /nfs/dbraw/zinc/40/95/34/757409534.db2.gz NQNAPCPWCVJTKV-OKILXGFUSA-N 1 1 327.384 0.880 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC001048923539 757424881 /nfs/dbraw/zinc/42/48/81/757424881.db2.gz WJJISWLCNSLFJN-TXEJJXNPSA-N 1 1 338.795 0.092 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001011295279 757438056 /nfs/dbraw/zinc/43/80/56/757438056.db2.gz YYRUFIKFRXZGCU-KGLIPLIRSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001011295279 757438062 /nfs/dbraw/zinc/43/80/62/757438062.db2.gz YYRUFIKFRXZGCU-KGLIPLIRSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CCCCCCC(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107192712 757468225 /nfs/dbraw/zinc/46/82/25/757468225.db2.gz TYKRXNHMZHXJKD-UHFFFAOYSA-N 1 1 333.436 0.717 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)NC)CC1 ZINC001021469997 757484167 /nfs/dbraw/zinc/48/41/67/757484167.db2.gz QFQCNUSRKFFVHO-ALOPSCKCSA-N 1 1 346.475 0.189 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3coc4c3C(=O)NCCC4)C[C@H]2C1 ZINC001048947457 757487933 /nfs/dbraw/zinc/48/79/33/757487933.db2.gz ATBHFPNAYQUFGN-BETUJISGSA-N 1 1 327.384 0.593 20 30 ECEDMO C#CCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2O)CCC1 ZINC001048953917 757501936 /nfs/dbraw/zinc/50/19/36/757501936.db2.gz QAFYEKSUCAVRFE-JYJNAYRXSA-N 1 1 347.459 0.304 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001048973142 757560835 /nfs/dbraw/zinc/56/08/35/757560835.db2.gz NHWBYAICIWHLRY-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)c[nH]1 ZINC001076907476 757565123 /nfs/dbraw/zinc/56/51/23/757565123.db2.gz QFSIXNJFGBTWEJ-IXDOHACOSA-N 1 1 346.431 0.602 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)C[C@H]2C1 ZINC001048975977 757576315 /nfs/dbraw/zinc/57/63/15/757576315.db2.gz CJTWYQCDUUBJGJ-GASCZTMLSA-N 1 1 330.436 0.909 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048978455 757586931 /nfs/dbraw/zinc/58/69/31/757586931.db2.gz FGYHNCQKPGCZPL-OKILXGFUSA-N 1 1 348.447 0.531 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000996443532 757614306 /nfs/dbraw/zinc/61/43/06/757614306.db2.gz SVKYJRNZXVRBGN-OAHLLOKOSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000996443532 757614312 /nfs/dbraw/zinc/61/43/12/757614312.db2.gz SVKYJRNZXVRBGN-OAHLLOKOSA-N 1 1 346.475 0.000 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4cnoc4)C[C@H]3C2)C1=O ZINC001049001951 757657496 /nfs/dbraw/zinc/65/74/96/757657496.db2.gz MHBXPXLWRTWWCA-OWCLPIDISA-N 1 1 344.415 0.394 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021607245 757680341 /nfs/dbraw/zinc/68/03/41/757680341.db2.gz UGQBQKVPWBEGCK-HZPDHXFCSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cnc3n2CCOC3)C1 ZINC001021608948 757682793 /nfs/dbraw/zinc/68/27/93/757682793.db2.gz UKZJRQQUIHDUDJ-GJZGRUSLSA-N 1 1 328.416 0.973 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021615772 757689209 /nfs/dbraw/zinc/68/92/09/757689209.db2.gz GTRPIJRHCSTBDC-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021617477 757690572 /nfs/dbraw/zinc/69/05/72/757690572.db2.gz VANDTQHCNMGYGF-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021621231 757697702 /nfs/dbraw/zinc/69/77/02/757697702.db2.gz ZQYDKBFBPRDIFJ-LSDHHAIUSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021621231 757697712 /nfs/dbraw/zinc/69/77/12/757697712.db2.gz ZQYDKBFBPRDIFJ-LSDHHAIUSA-N 1 1 326.462 0.920 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)s1 ZINC001021661715 757753301 /nfs/dbraw/zinc/75/33/01/757753301.db2.gz RHTYXIADANVJGS-FZMZJTMJSA-N 1 1 332.429 0.918 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)C[C@@H]3C2)c1 ZINC001049047687 757774199 /nfs/dbraw/zinc/77/41/99/757774199.db2.gz QESCWPRNEUPFFR-IYBDPMFKSA-N 1 1 347.440 0.111 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@H]3C2)c1 ZINC001049047687 757774205 /nfs/dbraw/zinc/77/42/05/757774205.db2.gz QESCWPRNEUPFFR-IYBDPMFKSA-N 1 1 347.440 0.111 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@@H]3C2)c1 ZINC001049047868 757775039 /nfs/dbraw/zinc/77/50/39/757775039.db2.gz UNKQDWRPDVNGII-IYBDPMFKSA-N 1 1 326.400 0.155 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001021682857 757777044 /nfs/dbraw/zinc/77/70/44/757777044.db2.gz UVEBOSRGNSPXIF-ZFWWWQNUSA-N 1 1 346.431 0.197 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)COC[C@H]3CCOC3)nn2)C1 ZINC001107215418 757792395 /nfs/dbraw/zinc/79/23/95/757792395.db2.gz GWANNNBSZZAANN-AWEZNQCLSA-N 1 1 349.435 0.380 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cnccc2=O)C1 ZINC001021702832 757824752 /nfs/dbraw/zinc/82/47/52/757824752.db2.gz JRMDYMRNFSHRBE-CVEARBPZSA-N 1 1 328.416 0.580 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001049060705 757834878 /nfs/dbraw/zinc/83/48/78/757834878.db2.gz KLTIDDUISMVNTO-XDNAFOTISA-N 1 1 337.423 0.550 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCN3CCOCC3)nn2)C1 ZINC001107221349 757859820 /nfs/dbraw/zinc/85/98/20/757859820.db2.gz VFWQFKYLUHRASO-UHFFFAOYSA-N 1 1 348.451 0.049 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001049068057 757869452 /nfs/dbraw/zinc/86/94/52/757869452.db2.gz IVMGLGZDJDMSRU-RBZJEDDUSA-N 1 1 335.448 0.444 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cc(C)on2)C1 ZINC001021729177 757871495 /nfs/dbraw/zinc/87/14/95/757871495.db2.gz DDJIMKHOGALOEM-UONOGXRCSA-N 1 1 330.388 0.868 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@H]2C1 ZINC001049075029 757889725 /nfs/dbraw/zinc/88/97/25/757889725.db2.gz HDHXXEQJZZOLHC-OKILXGFUSA-N 1 1 328.416 0.378 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049084391 757917256 /nfs/dbraw/zinc/91/72/56/757917256.db2.gz CMIZMTTZVOMOSC-GJZGRUSLSA-N 1 1 346.431 0.271 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001077015196 757927284 /nfs/dbraw/zinc/92/72/84/757927284.db2.gz GOXQFAZERQEALE-QBPKDAKJSA-N 1 1 342.443 0.339 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001077015196 757927291 /nfs/dbraw/zinc/92/72/91/757927291.db2.gz GOXQFAZERQEALE-QBPKDAKJSA-N 1 1 342.443 0.339 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC001021841027 757965778 /nfs/dbraw/zinc/96/57/78/757965778.db2.gz AXQZLAKKGKJAGP-LUKYLMHMSA-N 1 1 345.443 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC001021841027 757965785 /nfs/dbraw/zinc/96/57/85/757965785.db2.gz AXQZLAKKGKJAGP-LUKYLMHMSA-N 1 1 345.443 0.180 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001077016225 757970879 /nfs/dbraw/zinc/97/08/79/757970879.db2.gz GGOJEOJJVJOSLE-VQHPVUNQSA-N 1 1 348.447 0.105 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC(C)C)C(N)=O)nn2)C1 ZINC001107243621 758003985 /nfs/dbraw/zinc/00/39/85/758003985.db2.gz CITKNTNVBREOQO-HNNXBMFYSA-N 1 1 348.451 0.475 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC/C=C\CNc1ccnc(C#N)n1 ZINC001107252188 758046170 /nfs/dbraw/zinc/04/61/70/758046170.db2.gz GCLJFZSRWJDRLB-IHWYPQMZSA-N 1 1 339.403 0.840 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ncoc2C)C1=O ZINC001032306723 758192340 /nfs/dbraw/zinc/19/23/40/758192340.db2.gz LYFDVQCHMCGSSR-MELADBBJSA-N 1 1 330.388 0.669 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ncoc2C)C1=O ZINC001032306723 758192346 /nfs/dbraw/zinc/19/23/46/758192346.db2.gz LYFDVQCHMCGSSR-MELADBBJSA-N 1 1 330.388 0.669 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnsn3)CCC[C@@H]12 ZINC001107294789 758213698 /nfs/dbraw/zinc/21/36/98/758213698.db2.gz FKASBCOAWZMMOB-CZUORRHYSA-N 1 1 349.460 0.815 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@@H+](CCOC)C[C@@H]2C1 ZINC001049177995 758234376 /nfs/dbraw/zinc/23/43/76/758234376.db2.gz YMOOGAUMXDPPTD-GASCZTMLSA-N 1 1 329.400 0.744 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001077128744 758268021 /nfs/dbraw/zinc/26/80/21/758268021.db2.gz CITUSPIKDQYJRY-CHWSQXEVSA-N 1 1 334.420 0.335 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(C(C)=O)C3)C[C@H]2C1 ZINC001049194280 758270739 /nfs/dbraw/zinc/27/07/39/758270739.db2.gz OPJVVRUNZJQYKH-SOUVJXGZSA-N 1 1 325.840 0.998 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107330736 758271034 /nfs/dbraw/zinc/27/10/34/758271034.db2.gz LJRKOOLBQCYEJN-XHBSWPGZSA-N 1 1 332.408 0.129 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001022099734 758275588 /nfs/dbraw/zinc/27/55/88/758275588.db2.gz PADLSLVSHIPLQP-RQJABVFESA-N 1 1 349.435 0.854 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1=CCOCC1 ZINC001077124312 758283299 /nfs/dbraw/zinc/28/32/99/758283299.db2.gz RMSZGYIRKWGRGT-HOCLYGCPSA-N 1 1 333.432 0.442 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1=CCOCC1 ZINC001077124312 758283304 /nfs/dbraw/zinc/28/33/04/758283304.db2.gz RMSZGYIRKWGRGT-HOCLYGCPSA-N 1 1 333.432 0.442 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C=C ZINC001077125038 758287990 /nfs/dbraw/zinc/28/79/90/758287990.db2.gz KQUQCSBUUDWJJL-YVSFHVDLSA-N 1 1 347.459 0.686 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C=C ZINC001077125038 758288000 /nfs/dbraw/zinc/28/80/00/758288000.db2.gz KQUQCSBUUDWJJL-YVSFHVDLSA-N 1 1 347.459 0.686 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1n[nH]cc1F ZINC001077125442 758290884 /nfs/dbraw/zinc/29/08/84/758290884.db2.gz VEIDSQCBSMRTSY-AAEUAGOBSA-N 1 1 335.383 0.271 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1n[nH]cc1F ZINC001077125442 758290891 /nfs/dbraw/zinc/29/08/91/758290891.db2.gz VEIDSQCBSMRTSY-AAEUAGOBSA-N 1 1 335.383 0.271 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)c3cnnn3C)CCC[C@@H]12 ZINC001107387540 758438645 /nfs/dbraw/zinc/43/86/45/758438645.db2.gz VRYDHBQDOXOVBE-NVXWUHKLSA-N 1 1 333.436 0.992 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3n[nH]cc3C)CCC[C@@H]12 ZINC001107395878 758456839 /nfs/dbraw/zinc/45/68/39/758456839.db2.gz RYKLNZNASOVGAH-RDTXWAMCSA-N 1 1 343.431 0.442 20 30 ECEDMO C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC000991674763 762642342 /nfs/dbraw/zinc/64/23/42/762642342.db2.gz AYZJWMSZBUFKEE-HNNXBMFYSA-N 1 1 346.435 0.278 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(N)=O ZINC001049381171 758600666 /nfs/dbraw/zinc/60/06/66/758600666.db2.gz GUXPVQRSIIWZPD-JKSUJKDBSA-N 1 1 326.400 0.999 20 30 ECEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC001107457692 758619192 /nfs/dbraw/zinc/61/91/92/758619192.db2.gz KICQTPBXSIWKPT-CRAIPNDOSA-N 1 1 347.463 0.909 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC/C=C\CNc2ccnc(C#N)n2)C1 ZINC001107465447 758622992 /nfs/dbraw/zinc/62/29/92/758622992.db2.gz BLNAJWKWPWMQLZ-ABCZVMIZSA-N 1 1 342.447 0.976 20 30 ECEDMO COCC1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)CC1 ZINC001107470581 758659332 /nfs/dbraw/zinc/65/93/32/758659332.db2.gz YSVKXSDHYOEIPC-RHSMWYFYSA-N 1 1 348.447 0.414 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C#N)[nH]1 ZINC001049426466 758671079 /nfs/dbraw/zinc/67/10/79/758671079.db2.gz VXPKMUZKUFLDHW-HOTGVXAUSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C#N)[nH]1 ZINC001049426466 758671081 /nfs/dbraw/zinc/67/10/81/758671081.db2.gz VXPKMUZKUFLDHW-HOTGVXAUSA-N 1 1 339.403 0.894 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1nc(C#N)c(Cl)s1 ZINC001105909933 762660474 /nfs/dbraw/zinc/66/04/74/762660474.db2.gz OXQZIIMTNQZLMW-VIFPVBQESA-N 1 1 345.856 0.899 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)CC2(CCOCC2)C1 ZINC001099565715 758754294 /nfs/dbraw/zinc/75/42/94/758754294.db2.gz IAZKDQGDCCJEDP-AWEZNQCLSA-N 1 1 339.436 0.906 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(CCOC)nn1 ZINC001049463571 758755248 /nfs/dbraw/zinc/75/52/48/758755248.db2.gz HPJOOSOIJVDUMZ-JKSUJKDBSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1[nH]cnc1C ZINC001077314078 758795966 /nfs/dbraw/zinc/79/59/66/758795966.db2.gz XUTYNPXXWLAUOR-JSGCOSHPSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1[nH]cnc1C ZINC001077314078 758795975 /nfs/dbraw/zinc/79/59/75/758795975.db2.gz XUTYNPXXWLAUOR-JSGCOSHPSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001049506385 758820248 /nfs/dbraw/zinc/82/02/48/758820248.db2.gz XEBOWJHHBYEHSA-HRCADAONSA-N 1 1 333.432 0.180 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521210 758851544 /nfs/dbraw/zinc/85/15/44/758851544.db2.gz GYUVDTIUTPGYEN-UONOGXRCSA-N 1 1 341.839 0.663 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521210 758851551 /nfs/dbraw/zinc/85/15/51/758851551.db2.gz GYUVDTIUTPGYEN-UONOGXRCSA-N 1 1 341.839 0.663 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C2)C1 ZINC001049549518 758909967 /nfs/dbraw/zinc/90/99/67/758909967.db2.gz XGKPFCAMDVAVHL-GJZGRUSLSA-N 1 1 337.464 0.715 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O ZINC001049561565 758925235 /nfs/dbraw/zinc/92/52/35/758925235.db2.gz NAKXBKUYURGSLB-STQMWFEESA-N 1 1 339.827 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O ZINC001049561565 758925238 /nfs/dbraw/zinc/92/52/38/758925238.db2.gz NAKXBKUYURGSLB-STQMWFEESA-N 1 1 339.827 0.400 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001049564957 758929331 /nfs/dbraw/zinc/92/93/31/758929331.db2.gz QMXHMCZXQIUTHB-UONOGXRCSA-N 1 1 325.372 0.976 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001077374046 758931744 /nfs/dbraw/zinc/93/17/44/758931744.db2.gz ZSEZCVHCXMBBEO-XLSPSMHOSA-N 1 1 340.423 0.911 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001077374046 758931748 /nfs/dbraw/zinc/93/17/48/758931748.db2.gz ZSEZCVHCXMBBEO-XLSPSMHOSA-N 1 1 340.423 0.911 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(=O)n(CCOC)c1 ZINC001049574345 758947955 /nfs/dbraw/zinc/94/79/55/758947955.db2.gz MXTONVHMFSPIQH-DLBZAZTESA-N 1 1 343.427 0.807 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ccc(F)cc3O2)C1 ZINC001077388002 758960398 /nfs/dbraw/zinc/96/03/98/758960398.db2.gz IIWCPGSBBHDLNE-OAGGEKHMSA-N 1 1 332.375 0.704 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049594208 758973434 /nfs/dbraw/zinc/97/34/34/758973434.db2.gz JTOFPPSFGARGNK-UGUYLWEFSA-N 1 1 333.432 0.498 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCCCS1(=O)=O ZINC001049596967 758976565 /nfs/dbraw/zinc/97/65/65/758976565.db2.gz YCGUGDWWVJMRKN-HUUCEWRRSA-N 1 1 339.461 0.111 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1 ZINC001077409806 759003673 /nfs/dbraw/zinc/00/36/73/759003673.db2.gz LUEHMPMBLDYMHE-HUUCEWRRSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)c(C)nn(C)c1=O ZINC001049631715 759021281 /nfs/dbraw/zinc/02/12/81/759021281.db2.gz STZIYYFZWAQALA-CABCVRRESA-N 1 1 328.416 0.709 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001077420007 759039684 /nfs/dbraw/zinc/03/96/84/759039684.db2.gz DDKBNLVKHQRHOS-CHWSQXEVSA-N 1 1 333.388 0.307 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001077420007 759039691 /nfs/dbraw/zinc/03/96/91/759039691.db2.gz DDKBNLVKHQRHOS-CHWSQXEVSA-N 1 1 333.388 0.307 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccc(OC)nn32)[C@@H](O)C1 ZINC001083581019 759070447 /nfs/dbraw/zinc/07/04/47/759070447.db2.gz HMHAMYPBZNYXNL-YPMHNXCESA-N 1 1 331.376 0.089 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)c(C(N)=O)cn1 ZINC001049732128 759144801 /nfs/dbraw/zinc/14/48/01/759144801.db2.gz KLLHUFRISFVUCO-CVEARBPZSA-N 1 1 326.400 0.801 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCn1cncn1 ZINC001049733215 759145970 /nfs/dbraw/zinc/14/59/70/759145970.db2.gz VVKHPPQKPLPDLK-NCOADZHNSA-N 1 1 345.447 0.935 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001022841790 759164123 /nfs/dbraw/zinc/16/41/23/759164123.db2.gz HMEWRQCMGVAVGI-LMWOUKEDSA-N 1 1 346.435 0.726 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049751869 759167199 /nfs/dbraw/zinc/16/71/99/759167199.db2.gz DTKCKQLWYFNXRJ-QJPTWQEYSA-N 1 1 340.811 0.402 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049751869 759167207 /nfs/dbraw/zinc/16/72/07/759167207.db2.gz DTKCKQLWYFNXRJ-QJPTWQEYSA-N 1 1 340.811 0.402 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCS(=O)(=O)CC1 ZINC001049767853 759181876 /nfs/dbraw/zinc/18/18/76/759181876.db2.gz HMUQCOSXZCEJRY-JKSUJKDBSA-N 1 1 338.473 0.900 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)NC ZINC001049777497 759192572 /nfs/dbraw/zinc/19/25/72/759192572.db2.gz INGYEVUWJSHQEK-HWMZRRJGSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)NC ZINC001049777497 759192578 /nfs/dbraw/zinc/19/25/78/759192578.db2.gz INGYEVUWJSHQEK-HWMZRRJGSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049779598 759194366 /nfs/dbraw/zinc/19/43/66/759194366.db2.gz VJIDXTPHZMCBIE-OOWFEOPPSA-N 1 1 346.431 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)CC3)C2)C1=O ZINC001022885733 759250992 /nfs/dbraw/zinc/25/09/92/759250992.db2.gz NEHOWDFJWZOAJR-IXDOHACOSA-N 1 1 348.491 0.742 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001049840025 759279646 /nfs/dbraw/zinc/27/96/46/759279646.db2.gz LSLUOIWUIUEOHP-RRQGHBQHSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001049840025 759279652 /nfs/dbraw/zinc/27/96/52/759279652.db2.gz LSLUOIWUIUEOHP-RRQGHBQHSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001049840025 759279657 /nfs/dbraw/zinc/27/96/57/759279657.db2.gz LSLUOIWUIUEOHP-RRQGHBQHSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001049840025 759279664 /nfs/dbraw/zinc/27/96/64/759279664.db2.gz LSLUOIWUIUEOHP-RRQGHBQHSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001049840025 759279670 /nfs/dbraw/zinc/27/96/70/759279670.db2.gz LSLUOIWUIUEOHP-RRQGHBQHSA-N 1 1 327.432 0.998 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049846152 759292871 /nfs/dbraw/zinc/29/28/71/759292871.db2.gz DPITVHIMPRZKNH-KBPBESRZSA-N 1 1 340.387 0.120 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001049850337 759300015 /nfs/dbraw/zinc/30/00/15/759300015.db2.gz YTGZNDHGGKBFFO-HOTGVXAUSA-N 1 1 337.379 0.882 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049850981 759300734 /nfs/dbraw/zinc/30/07/34/759300734.db2.gz VLHCWKWXATXKCE-KBPBESRZSA-N 1 1 340.387 0.120 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049871775 759325444 /nfs/dbraw/zinc/32/54/44/759325444.db2.gz NWYWQPUSKSGPQI-KGLIPLIRSA-N 1 1 348.447 0.958 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 ZINC000991100009 759326561 /nfs/dbraw/zinc/32/65/61/759326561.db2.gz LOPAKFYPSBYVSS-GDZNZVCISA-N 1 1 334.420 0.664 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001049872833 759326802 /nfs/dbraw/zinc/32/68/02/759326802.db2.gz ZUHDTYVJVXNOGJ-BRWVUGGUSA-N 1 1 333.432 0.322 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049885757 759347791 /nfs/dbraw/zinc/34/77/91/759347791.db2.gz OIVLRTDSPLRDER-ZIAGYGMSSA-N 1 1 332.404 0.741 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cnnn2)cc1 ZINC001049881189 759338424 /nfs/dbraw/zinc/33/84/24/759338424.db2.gz NXYMDWIZCROUEO-IRXDYDNUSA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001049898338 759373917 /nfs/dbraw/zinc/37/39/17/759373917.db2.gz ARSSLJRTYIRFBY-SOUVJXGZSA-N 1 1 341.477 0.710 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001049900924 759379927 /nfs/dbraw/zinc/37/99/27/759379927.db2.gz VUHCMJHWORLQQM-MELADBBJSA-N 1 1 327.450 0.320 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccnc1C(N)=O ZINC001049910516 759393850 /nfs/dbraw/zinc/39/38/50/759393850.db2.gz VJCXCUQNYQRSAE-GJZGRUSLSA-N 1 1 326.400 0.883 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001049910294 759394259 /nfs/dbraw/zinc/39/42/59/759394259.db2.gz ISVCPUZGECLUOR-CABCVRRESA-N 1 1 342.447 0.905 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001054241905 767856316 /nfs/dbraw/zinc/85/63/16/767856316.db2.gz ADTXGZKEDRZWRR-WMZOPIPTSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nncn2C1 ZINC001049922484 759407041 /nfs/dbraw/zinc/40/70/41/759407041.db2.gz ZDNFFXFSOSOYNQ-BZUAXINKSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001047650139 759410890 /nfs/dbraw/zinc/41/08/90/759410890.db2.gz SDTFQUVZWXFYLU-IRXDYDNUSA-N 1 1 347.390 0.925 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C(N)=O)ccn1 ZINC001049935737 759428179 /nfs/dbraw/zinc/42/81/79/759428179.db2.gz LJNGOXGUWKILIK-HZPDHXFCSA-N 1 1 326.400 0.883 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047812854 759553972 /nfs/dbraw/zinc/55/39/72/759553972.db2.gz YRUBNKIDNKXPNH-GHMZBOCLSA-N 1 1 328.380 0.050 20 30 ECEDMO COC[C@H](O)C[NH+]1CC(OC2CCN(C(=O)C#CC(C)C)CC2)C1 ZINC001105707303 759560328 /nfs/dbraw/zinc/56/03/28/759560328.db2.gz VMJQRIJYZAZKQD-OAHLLOKOSA-N 1 1 338.448 0.345 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001101161935 759574319 /nfs/dbraw/zinc/57/43/19/759574319.db2.gz WZPONECHUAMCHZ-DAYGRLMNSA-N 1 1 337.464 0.836 20 30 ECEDMO C#CCOCCC(=O)N1CCC(OC2C[NH+](CCCOC)C2)CC1 ZINC001105708465 759635088 /nfs/dbraw/zinc/63/50/88/759635088.db2.gz JANPNKRERVVMJA-UHFFFAOYSA-N 1 1 338.448 0.755 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001050078258 759664349 /nfs/dbraw/zinc/66/43/49/759664349.db2.gz MRZGRVJNOHQPNZ-BFHYXJOUSA-N 1 1 329.404 0.102 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)[C@@H]2C1 ZINC001050089932 759683783 /nfs/dbraw/zinc/68/37/83/759683783.db2.gz WNXMBHKSALLQKJ-DOTOQJQBSA-N 1 1 344.459 0.931 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)[C@@H]2C1 ZINC001050089932 759683790 /nfs/dbraw/zinc/68/37/90/759683790.db2.gz WNXMBHKSALLQKJ-DOTOQJQBSA-N 1 1 344.459 0.931 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001050089714 759684627 /nfs/dbraw/zinc/68/46/27/759684627.db2.gz RNXBALNKXSFVJK-UONOGXRCSA-N 1 1 332.404 0.448 20 30 ECEDMO N#CCN1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099456 759700918 /nfs/dbraw/zinc/70/09/18/759700918.db2.gz CXPMRPIPOPNILP-HNCZQISISA-N 1 1 330.432 0.296 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC001050100801 759702163 /nfs/dbraw/zinc/70/21/63/759702163.db2.gz RPSIOIYSUVQHTL-CWRNSKLLSA-N 1 1 341.415 0.312 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC001050214876 759952110 /nfs/dbraw/zinc/95/21/10/759952110.db2.gz UEBAGUDSDRLCCL-GOEBONIOSA-N 1 1 326.400 0.740 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001212349351 760015165 /nfs/dbraw/zinc/01/51/65/760015165.db2.gz QZCCLYHFBLJRDP-RRFJBIMHSA-N 1 1 333.436 0.937 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cccnc2)C1=O ZINC001032251409 760050793 /nfs/dbraw/zinc/05/07/93/760050793.db2.gz LQPMCIAVTPHNFW-JYJNAYRXSA-N 1 1 326.400 0.767 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cccnc2)C1=O ZINC001032251409 760050805 /nfs/dbraw/zinc/05/08/05/760050805.db2.gz LQPMCIAVTPHNFW-JYJNAYRXSA-N 1 1 326.400 0.767 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001050309426 760100109 /nfs/dbraw/zinc/10/01/09/760100109.db2.gz BSCHADDPAMORQO-AULYBMBSSA-N 1 1 342.407 0.488 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001012504923 760123221 /nfs/dbraw/zinc/12/32/21/760123221.db2.gz YWBFDXNCIPWQDP-IAQYHMDHSA-N 1 1 340.387 0.811 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)c1 ZINC001012517233 760158711 /nfs/dbraw/zinc/15/87/11/760158711.db2.gz LNUNNVRYMBUYLJ-HNNXBMFYSA-N 1 1 340.427 0.832 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1c1cncc(C#N)n1 ZINC001050455370 760292107 /nfs/dbraw/zinc/29/21/07/760292107.db2.gz XMQKYGPTWYFPPE-NFAWXSAZSA-N 1 1 328.420 0.773 20 30 ECEDMO C=CCCCCC[NH+]1CC(n2cc(CNC(=O)CNC(C)=O)nn2)C1 ZINC001107116727 760431260 /nfs/dbraw/zinc/43/12/60/760431260.db2.gz CKBNLXNAYCCDSD-UHFFFAOYSA-N 1 1 348.451 0.634 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3nnn(C)n3)C2)cn1 ZINC001048451988 760553419 /nfs/dbraw/zinc/55/34/19/760553419.db2.gz IEXIFOUZLFFODH-OCCSQVGLSA-N 1 1 339.403 0.084 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001030024721 760630424 /nfs/dbraw/zinc/63/04/24/760630424.db2.gz NEDHAZOJLKEEGF-XHSDSOJGSA-N 1 1 334.464 0.141 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001030024721 760630426 /nfs/dbraw/zinc/63/04/26/760630426.db2.gz NEDHAZOJLKEEGF-XHSDSOJGSA-N 1 1 334.464 0.141 20 30 ECEDMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C2 ZINC001048514797 760644331 /nfs/dbraw/zinc/64/43/31/760644331.db2.gz MSIUKCLFXKUVCK-VTPLQMEGSA-N 1 1 329.404 0.733 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@@H]1O ZINC001048527631 760665041 /nfs/dbraw/zinc/66/50/41/760665041.db2.gz KXIRTXPLFOZMFR-MPGHIAIKSA-N 1 1 335.448 0.469 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001048532824 760672498 /nfs/dbraw/zinc/67/24/98/760672498.db2.gz HMZKJYUHISYBRA-YVSFHVDLSA-N 1 1 346.475 0.189 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001048545892 760693182 /nfs/dbraw/zinc/69/31/82/760693182.db2.gz QEYFJEHJVVEBAV-XQLPTFJDSA-N 1 1 326.462 0.966 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001077441990 760720904 /nfs/dbraw/zinc/72/09/04/760720904.db2.gz MPFGPTXPALVCCJ-ZIAGYGMSSA-N 1 1 331.376 0.426 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001048574175 760738900 /nfs/dbraw/zinc/73/89/00/760738900.db2.gz RLJWVQWYPIFSGI-PFFSRIRZSA-N 1 1 335.448 0.812 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)nc1 ZINC001048582404 760752189 /nfs/dbraw/zinc/75/21/89/760752189.db2.gz MSFLRSDKJQNVNC-DMRZNYOFSA-N 1 1 340.427 0.910 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc3[nH]c(CC)nc32)[C@@H](O)C1 ZINC001083663086 760758614 /nfs/dbraw/zinc/75/86/14/760758614.db2.gz WPTNFSYKOKJGBR-OLZOCXBDSA-N 1 1 327.388 0.319 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc3[nH]c(CC)nc32)[C@@H](O)C1 ZINC001083663086 760758616 /nfs/dbraw/zinc/75/86/16/760758616.db2.gz WPTNFSYKOKJGBR-OLZOCXBDSA-N 1 1 327.388 0.319 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995927355 760790232 /nfs/dbraw/zinc/79/02/32/760790232.db2.gz XLHWPYPEZSUNBC-LSDHHAIUSA-N 1 1 344.463 0.239 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C(C)(F)F)C[C@H]3C2)C1=O ZINC001048642511 760842000 /nfs/dbraw/zinc/84/20/00/760842000.db2.gz DTDZQMBBIUMGRP-XQQFMLRXSA-N 1 1 327.375 0.819 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCO4)C[C@H]3C2)C1=O ZINC001048666965 760900571 /nfs/dbraw/zinc/90/05/71/760900571.db2.gz SLFHLMVKYAOCCE-QXSJWSMHSA-N 1 1 333.432 0.343 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cnn(C)c4)C[C@H]3C2)C1=O ZINC001048672187 760908232 /nfs/dbraw/zinc/90/82/32/760908232.db2.gz CZWCRKZJHYXAHL-XHSDSOJGSA-N 1 1 343.431 0.211 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)[C@@H](O)C1 ZINC001083671291 760919902 /nfs/dbraw/zinc/91/99/02/760919902.db2.gz ISLXRYPTBMXEMB-MCIONIFRSA-N 1 1 330.450 0.081 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)[C@@H](O)C1 ZINC001083671291 760919908 /nfs/dbraw/zinc/91/99/08/760919908.db2.gz ISLXRYPTBMXEMB-MCIONIFRSA-N 1 1 330.450 0.081 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4COCCO4)C[C@H]3C2)c1 ZINC001048694406 760955431 /nfs/dbraw/zinc/95/54/31/760955431.db2.gz NCPBIATZFKAJLV-FGTMMUONSA-N 1 1 341.411 0.864 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1ccc(C#N)cc1 ZINC001050848171 760991716 /nfs/dbraw/zinc/99/17/16/760991716.db2.gz CPPMCMMMYDNGAG-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)c1 ZINC001050864303 761032792 /nfs/dbraw/zinc/03/27/92/761032792.db2.gz ALQGMERZLJXKOW-ZFWWWQNUSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H]2CCCOC2)c1 ZINC001050864303 761032803 /nfs/dbraw/zinc/03/28/03/761032803.db2.gz ALQGMERZLJXKOW-ZFWWWQNUSA-N 1 1 332.404 0.744 20 30 ECEDMO C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048725463 761048424 /nfs/dbraw/zinc/04/84/24/761048424.db2.gz SEEFKTYIAFQBEL-LJISPDSOSA-N 1 1 332.448 0.984 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001048732511 761066404 /nfs/dbraw/zinc/06/64/04/761066404.db2.gz CDPZEMJHRRQDEZ-GASCZTMLSA-N 1 1 342.399 0.332 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1OC ZINC001212148370 761250039 /nfs/dbraw/zinc/25/00/39/761250039.db2.gz JMJVBVTUIOMWEJ-BRWVUGGUSA-N 1 1 348.447 0.253 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001050994372 761290465 /nfs/dbraw/zinc/29/04/65/761290465.db2.gz RJFOVDMSEILPNY-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001212150238 761316988 /nfs/dbraw/zinc/31/69/88/761316988.db2.gz SFCBNINESIJANP-HZPDHXFCSA-N 1 1 329.400 0.142 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(c3cnc(C#N)cn3)[C@@H]2C)C1 ZINC001051015872 761340858 /nfs/dbraw/zinc/34/08/58/761340858.db2.gz KGOXZDNPJCZUGN-NFAWXSAZSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)[C@H](C)OCCOC)CC2)C1 ZINC001105726813 761356786 /nfs/dbraw/zinc/35/67/86/761356786.db2.gz SXEBWMWYNXPUQF-HNNXBMFYSA-N 1 1 338.448 0.753 20 30 ECEDMO C=CCCOCC(=O)N1CCC(OC2C[NH+](C[C@H](C)O)C2)CC1 ZINC001105735854 761419308 /nfs/dbraw/zinc/41/93/08/761419308.db2.gz BUURZJLGIKFHGS-AWEZNQCLSA-N 1 1 326.437 0.652 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC1CCOCC1 ZINC001051125098 761526696 /nfs/dbraw/zinc/52/66/96/761526696.db2.gz XFINBWBVFLKONU-BBWFWOEESA-N 1 1 338.448 0.821 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CC1CCOCC1 ZINC001051125098 761526702 /nfs/dbraw/zinc/52/67/02/761526702.db2.gz XFINBWBVFLKONU-BBWFWOEESA-N 1 1 338.448 0.821 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007143882 768056889 /nfs/dbraw/zinc/05/68/89/768056889.db2.gz PFXOZWMUXBQAPR-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007143882 768056891 /nfs/dbraw/zinc/05/68/91/768056891.db2.gz PFXOZWMUXBQAPR-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007143887 768056822 /nfs/dbraw/zinc/05/68/22/768056822.db2.gz PFXOZWMUXBQAPR-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007143887 768056827 /nfs/dbraw/zinc/05/68/27/768056827.db2.gz PFXOZWMUXBQAPR-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001051255962 761776549 /nfs/dbraw/zinc/77/65/49/761776549.db2.gz SGSRIGACPWBNGB-HUUCEWRRSA-N 1 1 333.436 0.624 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001051255962 761776556 /nfs/dbraw/zinc/77/65/56/761776556.db2.gz SGSRIGACPWBNGB-HUUCEWRRSA-N 1 1 333.436 0.624 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)c3cc(=O)n(C)o3)cccc2C1 ZINC001051286951 761828201 /nfs/dbraw/zinc/82/82/01/761828201.db2.gz MYSLLJJFJOIPQA-UHFFFAOYSA-N 1 1 325.368 0.900 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001051314226 761873003 /nfs/dbraw/zinc/87/30/03/761873003.db2.gz KPYZTWKQDGJQNI-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C)nn1 ZINC001054606005 768076179 /nfs/dbraw/zinc/07/61/79/768076179.db2.gz UWAGLLKUULIILR-XHDPSFHLSA-N 1 1 327.392 0.748 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2COC(=O)N2)cc1 ZINC001017518268 768079040 /nfs/dbraw/zinc/07/90/40/768079040.db2.gz AFZVFUZKBSTERE-XHSDSOJGSA-N 1 1 340.383 0.842 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2COC(=O)N2)cc1 ZINC001017518268 768079044 /nfs/dbraw/zinc/07/90/44/768079044.db2.gz AFZVFUZKBSTERE-XHSDSOJGSA-N 1 1 340.383 0.842 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nonc3C)C2)cc1 ZINC001051747242 762861357 /nfs/dbraw/zinc/86/13/57/762861357.db2.gz KPZIUDFBKHVRPO-INIZCTEOSA-N 1 1 340.383 0.990 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnn3CCC)C2)C1=O ZINC001014586446 762866923 /nfs/dbraw/zinc/86/69/23/762866923.db2.gz MISZURSQSCMVHA-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnn3CCC)C2)C1=O ZINC001014586446 762866929 /nfs/dbraw/zinc/86/69/29/762866929.db2.gz MISZURSQSCMVHA-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@H](C[NH2+]Cc3cnn(C)n3)C2)CC1 ZINC001051802652 763000984 /nfs/dbraw/zinc/00/09/84/763000984.db2.gz YRAKIAYSOVEGEG-MRXNPFEDSA-N 1 1 333.436 0.879 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H](C[NH2+][C@@H](C)c3nnnn3C)C2)C1 ZINC001051814948 763029474 /nfs/dbraw/zinc/02/94/74/763029474.db2.gz MVUGNXSWCOWBMQ-QWHCGFSZSA-N 1 1 334.424 0.444 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3CCC)C2)C1 ZINC001051814873 763029638 /nfs/dbraw/zinc/02/96/38/763029638.db2.gz LRNBYFYOODWKGF-AWEZNQCLSA-N 1 1 348.451 0.756 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001051833921 763076233 /nfs/dbraw/zinc/07/62/33/763076233.db2.gz APNPUCFVWDUMJT-ZNMIVQPWSA-N 1 1 332.404 0.385 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2CC)C1 ZINC001051834463 763076781 /nfs/dbraw/zinc/07/67/81/763076781.db2.gz OKJAXGVCCRAALF-KFWWJZLASA-N 1 1 349.435 0.206 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001046772930 763098647 /nfs/dbraw/zinc/09/86/47/763098647.db2.gz CNQKIVXMPJLEJA-MAUKXSAKSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001046772930 763098649 /nfs/dbraw/zinc/09/86/49/763098649.db2.gz CNQKIVXMPJLEJA-MAUKXSAKSA-N 1 1 345.447 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CCN3CCCC3=O)C2)nc1 ZINC001046783535 763120834 /nfs/dbraw/zinc/12/08/34/763120834.db2.gz QLWOGXOSGHMUIM-IBGZPJMESA-N 1 1 340.427 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ncnn2CC)C1 ZINC001014769260 763124052 /nfs/dbraw/zinc/12/40/52/763124052.db2.gz JUQGDFVYYKVAAL-CABCVRRESA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ncnn2CC)C1 ZINC001014769260 763124063 /nfs/dbraw/zinc/12/40/63/763124063.db2.gz JUQGDFVYYKVAAL-CABCVRRESA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncc(C)cn2)C1 ZINC001014776942 763135588 /nfs/dbraw/zinc/13/55/88/763135588.db2.gz SOXMMDMCDZIWPS-HOTGVXAUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncc(C)cn2)C1 ZINC001014776942 763135596 /nfs/dbraw/zinc/13/55/96/763135596.db2.gz SOXMMDMCDZIWPS-HOTGVXAUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncc(Cl)n2C)C1 ZINC001014776935 763136241 /nfs/dbraw/zinc/13/62/41/763136241.db2.gz SKIYDSGOJBZOGO-KBPBESRZSA-N 1 1 349.866 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncc(Cl)n2C)C1 ZINC001014776935 763136249 /nfs/dbraw/zinc/13/62/49/763136249.db2.gz SKIYDSGOJBZOGO-KBPBESRZSA-N 1 1 349.866 0.862 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)nc1OC ZINC001089846180 763140729 /nfs/dbraw/zinc/14/07/29/763140729.db2.gz KOMGNXVAEKESFK-AYDFFVQHSA-N 1 1 328.416 0.844 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001105973365 763141084 /nfs/dbraw/zinc/14/10/84/763141084.db2.gz XRDAGAVSITWYRA-LSDHHAIUSA-N 1 1 346.435 0.419 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2nnnc2c1 ZINC001089847504 763156305 /nfs/dbraw/zinc/15/63/05/763156305.db2.gz VEKYFFTUWDNWIN-JONQDZQNSA-N 1 1 336.399 0.540 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001054636285 768110904 /nfs/dbraw/zinc/11/09/04/768110904.db2.gz JTCVSIRVROZWHD-GXTWGEPZSA-N 1 1 329.404 0.158 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038594024 763158522 /nfs/dbraw/zinc/15/85/22/763158522.db2.gz UVTMMVAJZMARQV-HOTGVXAUSA-N 1 1 326.400 0.870 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038594024 763158528 /nfs/dbraw/zinc/15/85/28/763158528.db2.gz UVTMMVAJZMARQV-HOTGVXAUSA-N 1 1 326.400 0.870 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCO[C@H]3CC)C2)C1=O ZINC001031866393 763163959 /nfs/dbraw/zinc/16/39/59/763163959.db2.gz FOAKFSVGPAFQBF-PMPSAXMXSA-N 1 1 335.448 0.636 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001054638823 768113956 /nfs/dbraw/zinc/11/39/56/768113956.db2.gz QOOCWFGFYWDUAQ-HIFRSBDPSA-N 1 1 327.432 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccn(C)n3)C2)C1=O ZINC001046840666 763205696 /nfs/dbraw/zinc/20/56/96/763205696.db2.gz ZZTGSWCECSGVOM-PBHICJAKSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccn(C)n3)C2)C1=O ZINC001046840666 763205702 /nfs/dbraw/zinc/20/57/02/763205702.db2.gz ZZTGSWCECSGVOM-PBHICJAKSA-N 1 1 331.420 0.401 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001105983210 763220412 /nfs/dbraw/zinc/22/04/12/763220412.db2.gz YXVJVGAEIGKSIL-HUUCEWRRSA-N 1 1 346.435 0.500 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001105983065 763235775 /nfs/dbraw/zinc/23/57/75/763235775.db2.gz VJTMZWNCVOXXPE-RDJZCZTQSA-N 1 1 345.447 0.527 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nocc3C)C2)cn1 ZINC001051905332 763293115 /nfs/dbraw/zinc/29/31/15/763293115.db2.gz AFRQSPYLRCWDMN-INIZCTEOSA-N 1 1 340.383 0.990 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001046886104 763299455 /nfs/dbraw/zinc/29/94/55/763299455.db2.gz GFEJKGULMJAFAU-KDOFPFPSSA-N 1 1 345.447 0.947 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001046886106 763299827 /nfs/dbraw/zinc/29/98/27/763299827.db2.gz GFEJKGULMJAFAU-KSSFIOAISA-N 1 1 345.447 0.947 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001046891694 763316655 /nfs/dbraw/zinc/31/66/55/763316655.db2.gz XIJZJFWAQXDKEG-YJBOKZPZSA-N 1 1 345.447 0.567 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001046927458 763400744 /nfs/dbraw/zinc/40/07/44/763400744.db2.gz AODGKPHREUORBQ-CHWSQXEVSA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001046927458 763400752 /nfs/dbraw/zinc/40/07/52/763400752.db2.gz AODGKPHREUORBQ-CHWSQXEVSA-N 1 1 327.375 0.609 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001046930745 763409255 /nfs/dbraw/zinc/40/92/55/763409255.db2.gz IGPATVNKKDANSK-UONOGXRCSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc([C@@H](C)OC)no2)C1 ZINC001030462011 763433415 /nfs/dbraw/zinc/43/34/15/763433415.db2.gz HICWKQMVKYZINX-OCCSQVGLSA-N 1 1 347.419 0.175 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc([C@@H](C)OC)no2)C1 ZINC001030462011 763433423 /nfs/dbraw/zinc/43/34/23/763433423.db2.gz HICWKQMVKYZINX-OCCSQVGLSA-N 1 1 347.419 0.175 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)C(=O)N2CCCCC2)C1 ZINC001030463220 763443783 /nfs/dbraw/zinc/44/37/83/763443783.db2.gz GNSHFNIPVYZLJS-RDJZCZTQSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)C(=O)N2CCCCC2)C1 ZINC001030463220 763443789 /nfs/dbraw/zinc/44/37/89/763443789.db2.gz GNSHFNIPVYZLJS-RDJZCZTQSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001046966730 763481352 /nfs/dbraw/zinc/48/13/52/763481352.db2.gz SZBUUGQCAUPGGX-LLVKDONJSA-N 1 1 326.347 0.836 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046981859 763504754 /nfs/dbraw/zinc/50/47/54/763504754.db2.gz HQDDTRFESFQCPS-NSHDSACASA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046981859 763504760 /nfs/dbraw/zinc/50/47/60/763504760.db2.gz HQDDTRFESFQCPS-NSHDSACASA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001046983187 763508220 /nfs/dbraw/zinc/50/82/20/763508220.db2.gz XYUBNQSOMAGENF-GFCCVEGCSA-N 1 1 338.358 0.583 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001046983187 763508226 /nfs/dbraw/zinc/50/82/26/763508226.db2.gz XYUBNQSOMAGENF-GFCCVEGCSA-N 1 1 338.358 0.583 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)C1 ZINC000991788344 763514739 /nfs/dbraw/zinc/51/47/39/763514739.db2.gz QJUIETGSJVOXAS-CVEARBPZSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001046985888 763516099 /nfs/dbraw/zinc/51/60/99/763516099.db2.gz JXYFAOVMPJQBNW-VXGBXAGGSA-N 1 1 337.374 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001046985888 763516102 /nfs/dbraw/zinc/51/61/02/763516102.db2.gz JXYFAOVMPJQBNW-VXGBXAGGSA-N 1 1 337.374 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 ZINC001046988177 763520431 /nfs/dbraw/zinc/52/04/31/763520431.db2.gz GVOIFIMZQQUZAS-LBPRGKRZSA-N 1 1 337.374 0.863 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 ZINC001046988177 763520433 /nfs/dbraw/zinc/52/04/33/763520433.db2.gz GVOIFIMZQQUZAS-LBPRGKRZSA-N 1 1 337.374 0.863 20 30 ECEDMO CN1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)C1=O ZINC001031911357 763529420 /nfs/dbraw/zinc/52/94/20/763529420.db2.gz YETSJEPHUVCPAP-AWEZNQCLSA-N 1 1 332.429 0.646 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001046993685 763530423 /nfs/dbraw/zinc/53/04/23/763530423.db2.gz SXEVWVGJXKHRME-LBPRGKRZSA-N 1 1 338.358 0.824 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001046993685 763530427 /nfs/dbraw/zinc/53/04/27/763530427.db2.gz SXEVWVGJXKHRME-LBPRGKRZSA-N 1 1 338.358 0.824 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nccn3CC)C2)CC1 ZINC001052020610 763603147 /nfs/dbraw/zinc/60/31/47/763603147.db2.gz ILNUVPRENUUYDE-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052027730 763622808 /nfs/dbraw/zinc/62/28/08/763622808.db2.gz JFRHPNZCIRBCOV-OAHLLOKOSA-N 1 1 329.448 0.847 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cnn(C)c3C)C2)CC1 ZINC001052036009 763646479 /nfs/dbraw/zinc/64/64/79/763646479.db2.gz WQUXYBQENAAIET-SFHVURJKSA-N 1 1 343.475 0.513 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052036322 763647810 /nfs/dbraw/zinc/64/78/10/763647810.db2.gz LKCIRESOOIZIOG-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052036322 763647818 /nfs/dbraw/zinc/64/78/18/763647818.db2.gz LKCIRESOOIZIOG-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037139 763653619 /nfs/dbraw/zinc/65/36/19/763653619.db2.gz DUXPNBDIFMRXJA-GOSISDBHSA-N 1 1 343.475 0.513 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cncc(COC)c3)C2)CC1 ZINC001052037741 763656388 /nfs/dbraw/zinc/65/63/88/763656388.db2.gz QKWJIVQACNLDPI-SFHVURJKSA-N 1 1 342.443 0.693 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052040756 763663667 /nfs/dbraw/zinc/66/36/67/763663667.db2.gz JPLSQVDQOVREMC-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)CC1 ZINC001052041399 763666564 /nfs/dbraw/zinc/66/65/64/763666564.db2.gz HBHASEJBQCREHJ-HNNXBMFYSA-N 1 1 331.420 0.590 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)CC1 ZINC001052041630 763668037 /nfs/dbraw/zinc/66/80/37/763668037.db2.gz NJRAYTVFZRQFBH-LPHOPBHVSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C2)CC1 ZINC001052044925 763681192 /nfs/dbraw/zinc/68/11/92/763681192.db2.gz NSGHXIKKKICLPT-QGZVFWFLSA-N 1 1 340.427 0.251 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)CC1 ZINC001052046678 763688972 /nfs/dbraw/zinc/68/89/72/763688972.db2.gz BSGBIDMTTQCYLC-CVEARBPZSA-N 1 1 349.479 0.182 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)CC1 ZINC001052046678 763688975 /nfs/dbraw/zinc/68/89/75/763688975.db2.gz BSGBIDMTTQCYLC-CVEARBPZSA-N 1 1 349.479 0.182 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc(C)nn3C)C2)CC1 ZINC001052048894 763699171 /nfs/dbraw/zinc/69/91/71/763699171.db2.gz FRCSQNOHKCAGRP-MRXNPFEDSA-N 1 1 331.464 0.676 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cc(C)nn3C)C2)CC1 ZINC001052048894 763699177 /nfs/dbraw/zinc/69/91/77/763699177.db2.gz FRCSQNOHKCAGRP-MRXNPFEDSA-N 1 1 331.464 0.676 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C2)CC1 ZINC001052050555 763707205 /nfs/dbraw/zinc/70/72/05/763707205.db2.gz XNOXJGRIBWSOAR-HNNXBMFYSA-N 1 1 345.447 0.284 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)n3ccc(C)n3)C2)CC1 ZINC001052060502 763741129 /nfs/dbraw/zinc/74/11/29/763741129.db2.gz FREUALZBTAUJGC-ZWKOTPCHSA-N 1 1 343.475 0.994 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000995149933 763750159 /nfs/dbraw/zinc/75/01/59/763750159.db2.gz ZJUASDSNAUJDHS-INIZCTEOSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccoc3CC(N)=O)C2)CC1 ZINC001052070288 763768087 /nfs/dbraw/zinc/76/80/87/763768087.db2.gz GKDNGJATWDIXOP-AWEZNQCLSA-N 1 1 346.431 0.326 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cncs3)C2)CC1 ZINC001052081706 763798862 /nfs/dbraw/zinc/79/88/62/763798862.db2.gz FNPCWWUMVBHFBS-CQSZACIVSA-N 1 1 333.461 0.818 20 30 ECEDMO CCc1c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)ccn1C ZINC001052081994 763800356 /nfs/dbraw/zinc/80/03/56/763800356.db2.gz HWQRUOXCZBSTFC-OAHLLOKOSA-N 1 1 329.448 0.943 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cc(C)on3)C2)CC1 ZINC001052082929 763803990 /nfs/dbraw/zinc/80/39/90/763803990.db2.gz YFEGPCGRWQDCMM-QGZVFWFLSA-N 1 1 330.432 0.767 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001047234261 763823594 /nfs/dbraw/zinc/82/35/94/763823594.db2.gz RBOXHRCYLJMLKG-IMJJTQAJSA-N 1 1 343.431 0.981 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001047234261 763823599 /nfs/dbraw/zinc/82/35/99/763823599.db2.gz RBOXHRCYLJMLKG-IMJJTQAJSA-N 1 1 343.431 0.981 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001047234262 763823801 /nfs/dbraw/zinc/82/38/01/763823801.db2.gz RBOXHRCYLJMLKG-NUEKZKHPSA-N 1 1 343.431 0.981 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001047234262 763823809 /nfs/dbraw/zinc/82/38/09/763823809.db2.gz RBOXHRCYLJMLKG-NUEKZKHPSA-N 1 1 343.431 0.981 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C)nc3OC)C2)CC1 ZINC001052092869 763834498 /nfs/dbraw/zinc/83/44/98/763834498.db2.gz GURGVFBXFQVNFG-INIZCTEOSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccn(C(C)C)n3)C2)CC1 ZINC001052094453 763839077 /nfs/dbraw/zinc/83/90/77/763839077.db2.gz SZGKVQHJGKEKRA-MRXNPFEDSA-N 1 1 329.448 0.929 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106026474 763857955 /nfs/dbraw/zinc/85/79/55/763857955.db2.gz ITGFWJLIPGKUPN-GFCCVEGCSA-N 1 1 332.339 0.187 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(C(C)C)c3)C2)CC1 ZINC001052108275 763890335 /nfs/dbraw/zinc/89/03/35/763890335.db2.gz LSUUMZUUJBCIAT-KRWDZBQOSA-N 1 1 329.448 0.929 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)s1 ZINC001031974045 763894874 /nfs/dbraw/zinc/89/48/74/763894874.db2.gz UDJMLCROMXWEAR-UONOGXRCSA-N 1 1 348.428 0.201 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(CCOC)c3)C2)CC1 ZINC001052112936 763909128 /nfs/dbraw/zinc/90/91/28/763909128.db2.gz IAFXAVVPJXZODX-KRWDZBQOSA-N 1 1 347.463 0.548 20 30 ECEDMO COc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cc1 ZINC001052113390 763912488 /nfs/dbraw/zinc/91/24/88/763912488.db2.gz TZBIYOOWKPCEAW-QGZVFWFLSA-N 1 1 342.443 0.980 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(N(C)C)ccn3)C2)CC1 ZINC001052121836 763943424 /nfs/dbraw/zinc/94/34/24/763943424.db2.gz ILSSCXKIDTWRKY-QGZVFWFLSA-N 1 1 341.459 0.613 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3COc4ccccc43)C2)CC1 ZINC001052124098 763951430 /nfs/dbraw/zinc/95/14/30/763951430.db2.gz YLTQJJUBFYGRHY-RDJZCZTQSA-N 1 1 340.427 0.905 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC(Nc2ccnc(C#N)n2)C1 ZINC001052132390 763963973 /nfs/dbraw/zinc/96/39/73/763963973.db2.gz RURFQCSMAFCDON-JXQTWKCFSA-N 1 1 328.420 0.561 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047324172 764000776 /nfs/dbraw/zinc/00/07/76/764000776.db2.gz KQLCNIVHBXMCRC-BZSNNMDCSA-N 1 1 342.443 0.656 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1=O ZINC001031992202 764017121 /nfs/dbraw/zinc/01/71/21/764017121.db2.gz PBURITJKXYJANL-FPCVCCKLSA-N 1 1 333.432 0.389 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001052206325 764052514 /nfs/dbraw/zinc/05/25/14/764052514.db2.gz GJNFZTWXSWTCHT-HIFRSBDPSA-N 1 1 334.420 0.605 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001047353285 764087937 /nfs/dbraw/zinc/08/79/37/764087937.db2.gz GGYOTGFBKAQYQL-KBMXLJTQSA-N 1 1 332.404 0.573 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001047353563 764088520 /nfs/dbraw/zinc/08/85/20/764088520.db2.gz GAHORLHVCOVEMG-KCXAZCMYSA-N 1 1 332.404 0.430 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001047353647 764089516 /nfs/dbraw/zinc/08/95/16/764089516.db2.gz MJSROOUXWINLCG-KBMXLJTQSA-N 1 1 346.431 0.819 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cn[nH]c3)CC2)C1=O ZINC001052230544 764100062 /nfs/dbraw/zinc/10/00/62/764100062.db2.gz XSMUURKPWXKZSP-GJZGRUSLSA-N 1 1 331.420 0.781 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(CC)CCNc2ccnc(C#N)n2)CC[N@H+]1C ZINC001106970183 764154605 /nfs/dbraw/zinc/15/46/05/764154605.db2.gz NCDJRZUNCABTLT-UONOGXRCSA-N 1 1 330.436 0.761 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(OC)n(C)n3)C2)C1=O ZINC001015219690 764176230 /nfs/dbraw/zinc/17/62/30/764176230.db2.gz ZHLLIDWTFJTLJI-TZMCWYRMSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(OC)n(C)n3)C2)C1=O ZINC001015219690 764176234 /nfs/dbraw/zinc/17/62/34/764176234.db2.gz ZHLLIDWTFJTLJI-TZMCWYRMSA-N 1 1 347.419 0.020 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106057587 764183788 /nfs/dbraw/zinc/18/37/88/764183788.db2.gz CVQPHUUMRKMTHX-JSGCOSHPSA-N 1 1 335.383 0.466 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052288473 764200463 /nfs/dbraw/zinc/20/04/63/764200463.db2.gz NDFGEKHDZYIHHL-ZDUSSCGKSA-N 1 1 327.392 0.799 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001047403990 764233962 /nfs/dbraw/zinc/23/39/62/764233962.db2.gz OSHQKUGFPZIBQN-HOTGVXAUSA-N 1 1 332.404 0.733 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)c[nH]1 ZINC001052319376 764242144 /nfs/dbraw/zinc/24/21/44/764242144.db2.gz YBYKFPFHVZAYBY-ZFWWWQNUSA-N 1 1 329.404 0.749 20 30 ECEDMO CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001047407038 764248054 /nfs/dbraw/zinc/24/80/54/764248054.db2.gz BTMYLJZKKKETKY-BZSNNMDCSA-N 1 1 349.475 0.157 20 30 ECEDMO CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001047409756 764257945 /nfs/dbraw/zinc/25/79/45/764257945.db2.gz YDEXBEGOSZQHGQ-SQNIBIBYSA-N 1 1 333.476 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C/C=C\Cl)C[C@@H]1O ZINC001047415037 764272954 /nfs/dbraw/zinc/27/29/54/764272954.db2.gz CXUFCKMHWRCFDQ-MLRXNPTLSA-N 1 1 325.840 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C/C=C\Cl)C[C@@H]1O ZINC001047415037 764272957 /nfs/dbraw/zinc/27/29/57/764272957.db2.gz CXUFCKMHWRCFDQ-MLRXNPTLSA-N 1 1 325.840 0.340 20 30 ECEDMO CCN(CCNc1ccc(C#N)cn1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106988082 764276498 /nfs/dbraw/zinc/27/64/98/764276498.db2.gz NNCHJCVWNHLGDY-UKRRQHHQSA-N 1 1 331.420 0.933 20 30 ECEDMO CCN(CCNc1ccc(C#N)cn1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106988082 764276506 /nfs/dbraw/zinc/27/65/06/764276506.db2.gz NNCHJCVWNHLGDY-UKRRQHHQSA-N 1 1 331.420 0.933 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCNC2=O)C1 ZINC000995271461 764279285 /nfs/dbraw/zinc/27/92/85/764279285.db2.gz GJRAFIGRDBWDRS-IAGOWNOFSA-N 1 1 340.427 0.501 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000995271553 764280280 /nfs/dbraw/zinc/28/02/80/764280280.db2.gz GTHLCFQQLAQKLU-CVEARBPZSA-N 1 1 341.415 0.047 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001060395193 764295547 /nfs/dbraw/zinc/29/55/47/764295547.db2.gz UZDWAXFOEHNFDL-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(OC)cc(OC)n2)C1 ZINC001047428691 764317587 /nfs/dbraw/zinc/31/75/87/764317587.db2.gz HXYDFDOKWBWDMO-RYUDHWBXSA-N 1 1 336.392 0.187 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(OC)cc(OC)n2)C1 ZINC001047428691 764317596 /nfs/dbraw/zinc/31/75/96/764317596.db2.gz HXYDFDOKWBWDMO-RYUDHWBXSA-N 1 1 336.392 0.187 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001047432302 764327872 /nfs/dbraw/zinc/32/78/72/764327872.db2.gz JSWROEKLCPZVDJ-HOTGVXAUSA-N 1 1 345.447 0.770 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001047433419 764331417 /nfs/dbraw/zinc/33/14/17/764331417.db2.gz ADHDDLPPTCOXAH-GJZGRUSLSA-N 1 1 334.420 0.975 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccc(=O)[nH]c3)C2)C1=O ZINC001015303658 764337845 /nfs/dbraw/zinc/33/78/45/764337845.db2.gz QDNOJGJNHJYYJN-GJZGRUSLSA-N 1 1 344.415 0.307 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(=O)[nH]c3)C2)C1=O ZINC001015303658 764337847 /nfs/dbraw/zinc/33/78/47/764337847.db2.gz QDNOJGJNHJYYJN-GJZGRUSLSA-N 1 1 344.415 0.307 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(C(N)=O)CC2)C1 ZINC001047437238 764341725 /nfs/dbraw/zinc/34/17/25/764341725.db2.gz OKDDCKJJGIUZAS-CKUJCDMFSA-N 1 1 337.464 0.748 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2OCCC3)C1 ZINC001047443519 764362999 /nfs/dbraw/zinc/36/29/99/764362999.db2.gz HTJDGMSMWVJIQK-GJZGRUSLSA-N 1 1 334.420 0.749 20 30 ECEDMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001052378979 764367522 /nfs/dbraw/zinc/36/75/22/764367522.db2.gz LDEUENHSBDZMDH-QGZVFWFLSA-N 1 1 338.415 0.696 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)cn3ccnc23)C1 ZINC001047469703 764431115 /nfs/dbraw/zinc/43/11/15/764431115.db2.gz ABTPMWKFBYYXTK-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)cn3ccnc23)C1 ZINC001047469703 764431117 /nfs/dbraw/zinc/43/11/17/764431117.db2.gz ABTPMWKFBYYXTK-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CCCC)C1 ZINC001047473260 764443145 /nfs/dbraw/zinc/44/31/45/764443145.db2.gz PQGGPQFZJPDVPB-JYJNAYRXSA-N 1 1 325.453 0.177 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CCCC)C1 ZINC001047473260 764443149 /nfs/dbraw/zinc/44/31/49/764443149.db2.gz PQGGPQFZJPDVPB-JYJNAYRXSA-N 1 1 325.453 0.177 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001047473555 764444685 /nfs/dbraw/zinc/44/46/85/764444685.db2.gz SYATVCOVUNHQQT-BPUTZDHNSA-N 1 1 348.447 0.617 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001047479040 764463082 /nfs/dbraw/zinc/46/30/82/764463082.db2.gz HYONSSFHNGGYBY-GJZGRUSLSA-N 1 1 342.403 0.356 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001047479710 764467531 /nfs/dbraw/zinc/46/75/31/764467531.db2.gz VNHYHIOSPFWOEG-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001047479710 764467535 /nfs/dbraw/zinc/46/75/35/764467535.db2.gz VNHYHIOSPFWOEG-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001015381476 764489721 /nfs/dbraw/zinc/48/97/21/764489721.db2.gz GYDHMGGUQBALFL-ZDUSSCGKSA-N 1 1 327.392 0.828 20 30 ECEDMO COCC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001099055270 764506050 /nfs/dbraw/zinc/50/60/50/764506050.db2.gz QMTCDPYZDLPFJR-AWEZNQCLSA-N 1 1 333.436 0.685 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001099055270 764506055 /nfs/dbraw/zinc/50/60/55/764506055.db2.gz QMTCDPYZDLPFJR-AWEZNQCLSA-N 1 1 333.436 0.685 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001089874044 764527442 /nfs/dbraw/zinc/52/74/42/764527442.db2.gz CEXINPLZVYKCQJ-MXAVVETBSA-N 1 1 331.416 0.394 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001052455032 764533608 /nfs/dbraw/zinc/53/36/08/764533608.db2.gz MRXDFMLUNMEHLE-QWRGUYRKSA-N 1 1 328.800 0.308 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC001052456017 764535969 /nfs/dbraw/zinc/53/59/69/764535969.db2.gz AVEYVIGBYNPLTD-WBVHZDCISA-N 1 1 344.463 0.383 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2C)CC1 ZINC001052456017 764535977 /nfs/dbraw/zinc/53/59/77/764535977.db2.gz AVEYVIGBYNPLTD-WBVHZDCISA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nnc(C)o2)CC1 ZINC001052458120 764543034 /nfs/dbraw/zinc/54/30/34/764543034.db2.gz YNLDQKBOCSUALY-HOTGVXAUSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nnc(C)o2)CC1 ZINC001052458120 764543038 /nfs/dbraw/zinc/54/30/38/764543038.db2.gz YNLDQKBOCSUALY-HOTGVXAUSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052459001 764545135 /nfs/dbraw/zinc/54/51/35/764545135.db2.gz INHNIWYWGQQJHN-IRXDYDNUSA-N 1 1 344.463 0.346 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cccn3)n2)C1 ZINC001047521948 764580290 /nfs/dbraw/zinc/58/02/90/764580290.db2.gz DPXUKRVSVOYTRU-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047529704 764609498 /nfs/dbraw/zinc/60/94/98/764609498.db2.gz GQHQCDPBRHASJC-QCSYZSNVSA-N 1 1 343.427 0.987 20 30 ECEDMO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047529704 764609502 /nfs/dbraw/zinc/60/95/02/764609502.db2.gz GQHQCDPBRHASJC-QCSYZSNVSA-N 1 1 343.427 0.987 20 30 ECEDMO C[C@H](CCNc1nccnc1C#N)NC(=O)CC[NH+]1CCOCC1 ZINC001106382683 768228485 /nfs/dbraw/zinc/22/84/85/768228485.db2.gz GUCJQESTSXBTPZ-CYBMUJFWSA-N 1 1 332.408 0.377 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2c3ccccc3CC2=O)C1 ZINC001047545556 764652214 /nfs/dbraw/zinc/65/22/14/764652214.db2.gz RIHLRSCRABPJHO-HOTGVXAUSA-N 1 1 329.400 0.265 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001047548662 764661002 /nfs/dbraw/zinc/66/10/02/764661002.db2.gz FRQASMBOXZHUMM-ZOBUZTSGSA-N 1 1 332.375 0.656 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001047548662 764661006 /nfs/dbraw/zinc/66/10/06/764661006.db2.gz FRQASMBOXZHUMM-ZOBUZTSGSA-N 1 1 332.375 0.656 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)nn1 ZINC001047554125 764678156 /nfs/dbraw/zinc/67/81/56/764678156.db2.gz KSTIUUDQTHYVFD-KBMXLJTQSA-N 1 1 349.435 0.150 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001089884914 764686562 /nfs/dbraw/zinc/68/65/62/764686562.db2.gz WTAXFWYRRQBSPE-DCDXPUDHSA-N 1 1 326.400 0.529 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047557226 764686624 /nfs/dbraw/zinc/68/66/24/764686624.db2.gz JOXCCQSLYAXIMZ-VGWMRTNUSA-N 1 1 326.437 0.244 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1OC ZINC001212193266 764713429 /nfs/dbraw/zinc/71/34/29/764713429.db2.gz BZVFRHQPDQQBAE-INMHGKMJSA-N 1 1 328.453 0.944 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cccc(OC)c23)C1 ZINC001047567645 764713742 /nfs/dbraw/zinc/71/37/42/764713742.db2.gz QWJQYGGIPISPDK-KBPBESRZSA-N 1 1 330.388 0.646 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cccc(OC)c23)C1 ZINC001047567645 764713755 /nfs/dbraw/zinc/71/37/55/764713755.db2.gz QWJQYGGIPISPDK-KBPBESRZSA-N 1 1 330.388 0.646 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@@H]2C)cn1 ZINC001088990259 764716588 /nfs/dbraw/zinc/71/65/88/764716588.db2.gz MNJGNWGIHQGWGW-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1OC ZINC001212194224 764760948 /nfs/dbraw/zinc/76/09/48/764760948.db2.gz PVBIHOBGKYAGLI-FRFSOERESA-N 1 1 337.420 0.934 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1OC ZINC001212194224 764760952 /nfs/dbraw/zinc/76/09/52/764760952.db2.gz PVBIHOBGKYAGLI-FRFSOERESA-N 1 1 337.420 0.934 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001047581266 764767233 /nfs/dbraw/zinc/76/72/33/764767233.db2.gz QDJQDWAQGVEPTG-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001047586191 764784519 /nfs/dbraw/zinc/78/45/19/764784519.db2.gz MGOSBUHFUGNCCN-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001047586191 764784523 /nfs/dbraw/zinc/78/45/23/764784523.db2.gz MGOSBUHFUGNCCN-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H]3CCN(CC=C)C3=O)C2)nc1 ZINC001032137793 764789955 /nfs/dbraw/zinc/78/99/55/764789955.db2.gz ZDNHDAGWWMXMKM-KRWDZBQOSA-N 1 1 338.411 0.511 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C3CCOCC3)n2)C1 ZINC001047590208 764798872 /nfs/dbraw/zinc/79/88/72/764798872.db2.gz AMYNXNJSJFXQNM-GJZGRUSLSA-N 1 1 335.404 0.872 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C3CCOCC3)n2)C1 ZINC001047590208 764798876 /nfs/dbraw/zinc/79/88/76/764798876.db2.gz AMYNXNJSJFXQNM-GJZGRUSLSA-N 1 1 335.404 0.872 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001052584431 764798988 /nfs/dbraw/zinc/79/89/88/764798988.db2.gz RFYLOLOLXBHMOZ-ZFWWWQNUSA-N 1 1 329.404 0.360 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001047593878 764816145 /nfs/dbraw/zinc/81/61/45/764816145.db2.gz ZWTYXJKQPLVHMN-GJZGRUSLSA-N 1 1 332.404 0.569 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001047593878 764816149 /nfs/dbraw/zinc/81/61/49/764816149.db2.gz ZWTYXJKQPLVHMN-GJZGRUSLSA-N 1 1 332.404 0.569 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)cc1F ZINC001015504939 764821979 /nfs/dbraw/zinc/82/19/79/764821979.db2.gz SAKQIOHUHJEZES-KBPBESRZSA-N 1 1 330.363 0.524 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)cc1F ZINC001015504939 764821984 /nfs/dbraw/zinc/82/19/84/764821984.db2.gz SAKQIOHUHJEZES-KBPBESRZSA-N 1 1 330.363 0.524 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001052597727 764824241 /nfs/dbraw/zinc/82/42/41/764824241.db2.gz AHYSZVUNOGPSIR-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO CC(=O)N1CC[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001032156738 764826721 /nfs/dbraw/zinc/82/67/21/764826721.db2.gz YJVVNSSYSGJTDV-SFHVURJKSA-N 1 1 340.427 0.975 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001047600314 764841359 /nfs/dbraw/zinc/84/13/59/764841359.db2.gz PHJNXXALWOHCAG-IRXDYDNUSA-N 1 1 343.427 0.529 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001047600314 764841368 /nfs/dbraw/zinc/84/13/68/764841368.db2.gz PHJNXXALWOHCAG-IRXDYDNUSA-N 1 1 343.427 0.529 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H](C)C1 ZINC000944030674 764844257 /nfs/dbraw/zinc/84/42/57/764844257.db2.gz AAKCBBBOVKLQRA-CABCVRRESA-N 1 1 345.447 0.231 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)NC1=O ZINC001015514340 764850129 /nfs/dbraw/zinc/85/01/29/764850129.db2.gz PQZXTJCKMOXEQN-HIFRSBDPSA-N 1 1 345.378 0.411 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)NC1=O ZINC001015514340 764850139 /nfs/dbraw/zinc/85/01/39/764850139.db2.gz PQZXTJCKMOXEQN-HIFRSBDPSA-N 1 1 345.378 0.411 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001047614972 764888467 /nfs/dbraw/zinc/88/84/67/764888467.db2.gz GADQUAKORCMWDG-HOCLYGCPSA-N 1 1 340.379 0.933 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001047614972 764888476 /nfs/dbraw/zinc/88/84/76/764888476.db2.gz GADQUAKORCMWDG-HOCLYGCPSA-N 1 1 340.379 0.933 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2-n2cnnn2)C1 ZINC001047624040 764912301 /nfs/dbraw/zinc/91/23/01/764912301.db2.gz DMTNERFMMVIYRD-HOTGVXAUSA-N 1 1 342.403 0.356 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1nccn1 ZINC001099092700 764920380 /nfs/dbraw/zinc/92/03/80/764920380.db2.gz IQXWQAPUISJBPR-HNNXBMFYSA-N 1 1 333.436 0.535 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccnc3c2nnn3C)CC1 ZINC001052663462 764960002 /nfs/dbraw/zinc/96/00/02/764960002.db2.gz SGHKJYAIJQPWPM-ZDUSSCGKSA-N 1 1 326.404 0.971 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@H]2C)C1=O ZINC001089074257 764966154 /nfs/dbraw/zinc/96/61/54/764966154.db2.gz UTIUSNZOZPBXGY-QLFBSQMISA-N 1 1 331.420 0.249 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@H]2C)C1=O ZINC001089074257 764966162 /nfs/dbraw/zinc/96/61/62/764966162.db2.gz UTIUSNZOZPBXGY-QLFBSQMISA-N 1 1 331.420 0.249 20 30 ECEDMO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1)[C@@H]1CNC(=O)N1 ZINC001052670568 764969985 /nfs/dbraw/zinc/96/99/85/764969985.db2.gz GBBZTCAGQKQEPC-IRXDYDNUSA-N 1 1 340.427 0.690 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C(N)=O)CC2)cc1 ZINC001052671211 764971575 /nfs/dbraw/zinc/97/15/75/764971575.db2.gz BTJFJLLURJEWMG-CQSZACIVSA-N 1 1 330.388 0.545 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)nc[nH]c3=O)C2)C1=O ZINC001015586484 765004775 /nfs/dbraw/zinc/00/47/75/765004775.db2.gz IDAKGPZIIZNFMO-CHWSQXEVSA-N 1 1 345.403 0.082 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)nc[nH]c3=O)C2)C1=O ZINC001015586484 765004781 /nfs/dbraw/zinc/00/47/81/765004781.db2.gz IDAKGPZIIZNFMO-CHWSQXEVSA-N 1 1 345.403 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)CC1 ZINC001052708928 765021717 /nfs/dbraw/zinc/02/17/17/765021717.db2.gz HWEDLXAGJKXOPU-CQSZACIVSA-N 1 1 330.432 0.741 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001052760805 765076499 /nfs/dbraw/zinc/07/64/99/765076499.db2.gz KCXYJKDQFZEVEI-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)CC2)nn1 ZINC001052777600 765103084 /nfs/dbraw/zinc/10/30/84/765103084.db2.gz DMTULJQDGZUJCV-KGLIPLIRSA-N 1 1 348.451 0.573 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000992007676 765131135 /nfs/dbraw/zinc/13/11/35/765131135.db2.gz VDLUFUNDAGMRFZ-DNOWBOINSA-N 1 1 343.431 0.853 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CC3=CCOCC3)C2)C1=O ZINC001015660576 765135666 /nfs/dbraw/zinc/13/56/66/765135666.db2.gz FBEBXMSBMRWTKE-CVEARBPZSA-N 1 1 333.432 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CC3=CCOCC3)C2)C1=O ZINC001015660576 765135672 /nfs/dbraw/zinc/13/56/72/765135672.db2.gz FBEBXMSBMRWTKE-CVEARBPZSA-N 1 1 333.432 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC001015678889 765150630 /nfs/dbraw/zinc/15/06/30/765150630.db2.gz PKIZXFXXFWMDFN-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC001015678889 765150632 /nfs/dbraw/zinc/15/06/32/765150632.db2.gz PKIZXFXXFWMDFN-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ncccn3)CC2)C1=O ZINC001052811915 765165040 /nfs/dbraw/zinc/16/50/40/765165040.db2.gz UOOJMSDYLDRDQS-CABCVRRESA-N 1 1 343.431 0.848 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CCNC1=O ZINC001015696190 765179280 /nfs/dbraw/zinc/17/92/80/765179280.db2.gz WNRNWLKHYVITNB-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CCNC1=O ZINC001015696190 765179282 /nfs/dbraw/zinc/17/92/82/765179282.db2.gz WNRNWLKHYVITNB-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001052841576 765211887 /nfs/dbraw/zinc/21/18/87/765211887.db2.gz NXBWYDAOHZPYLX-ZBFHGGJFSA-N 1 1 348.447 0.995 20 30 ECEDMO C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001015713352 765217806 /nfs/dbraw/zinc/21/78/06/765217806.db2.gz NUVKLRNMQLUGOI-HZPDHXFCSA-N 1 1 348.491 0.696 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001052864163 765248555 /nfs/dbraw/zinc/24/85/55/765248555.db2.gz BECASBVROLMAIQ-GFCCVEGCSA-N 1 1 328.376 0.025 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000992044981 765266182 /nfs/dbraw/zinc/26/61/82/765266182.db2.gz MBOPVRLESHQGKP-UHFFFAOYSA-N 1 1 340.387 0.716 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC001052913391 765332857 /nfs/dbraw/zinc/33/28/57/765332857.db2.gz IWWOMASIOKMSAX-ZDUSSCGKSA-N 1 1 334.420 0.311 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3cncn3)CC2)C1=O ZINC001052918200 765343789 /nfs/dbraw/zinc/34/37/89/765343789.db2.gz PZUXHEYZTROTPT-GJZGRUSLSA-N 1 1 346.435 0.036 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001015820634 765383641 /nfs/dbraw/zinc/38/36/41/765383641.db2.gz JUDYJYVMBTVTAE-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001015820634 765383648 /nfs/dbraw/zinc/38/36/48/765383648.db2.gz JUDYJYVMBTVTAE-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000992090773 765447173 /nfs/dbraw/zinc/44/71/73/765447173.db2.gz URHGWTCZQJKIQG-MLGOLLRUSA-N 1 1 326.400 0.344 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001046689388 768298789 /nfs/dbraw/zinc/29/87/89/768298789.db2.gz IVSWTLVKLMKOBJ-HIFRSBDPSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001053091042 765566441 /nfs/dbraw/zinc/56/64/41/765566441.db2.gz KKGSYXOYQDKVDA-HZPDHXFCSA-N 1 1 345.447 0.308 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001053092531 765568115 /nfs/dbraw/zinc/56/81/15/765568115.db2.gz SCEROEMEJLYBKC-HZPDHXFCSA-N 1 1 347.463 0.861 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCNC1=O ZINC001089150859 765573671 /nfs/dbraw/zinc/57/36/71/765573671.db2.gz PCXQDNBJCFXTEF-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)cc1 ZINC001077493747 765585835 /nfs/dbraw/zinc/58/58/35/765585835.db2.gz IWABKRFRAVSEJW-CGTJXYLNSA-N 1 1 328.412 0.869 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CSCC#N)C1 ZINC001053115659 765602191 /nfs/dbraw/zinc/60/21/91/765602191.db2.gz QWLJJSJMFYAPRI-KGLIPLIRSA-N 1 1 340.493 0.796 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001017705144 768309775 /nfs/dbraw/zinc/30/97/75/768309775.db2.gz UFUWQGKRFAJNKI-OKILXGFUSA-N 1 1 340.383 0.725 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001017705144 768309781 /nfs/dbraw/zinc/30/97/81/768309781.db2.gz UFUWQGKRFAJNKI-OKILXGFUSA-N 1 1 340.383 0.725 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001077499559 765723452 /nfs/dbraw/zinc/72/34/52/765723452.db2.gz MAFBVVXWWHBZCX-UONOGXRCSA-N 1 1 348.451 0.431 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)cn1 ZINC001016030934 765733030 /nfs/dbraw/zinc/73/30/30/765733030.db2.gz MPZWOAODZZYKQN-YOEHRIQHSA-N 1 1 340.427 0.783 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNc2cccc(F)c2C#N)C1 ZINC001106103957 765747062 /nfs/dbraw/zinc/74/70/62/765747062.db2.gz FFJIHEZZEGGOKQ-OLZOCXBDSA-N 1 1 334.395 0.928 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)CCO2 ZINC001053256352 765853379 /nfs/dbraw/zinc/85/33/79/765853379.db2.gz ZTRTUPSAOHBCEK-SJORKVTESA-N 1 1 331.460 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cc(C)on2)C1 ZINC000992207265 765898773 /nfs/dbraw/zinc/89/87/73/765898773.db2.gz KSZQAQUJTSWVOU-XUJLQICISA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cc(C)on2)C1 ZINC000992207265 765898778 /nfs/dbraw/zinc/89/87/78/765898778.db2.gz KSZQAQUJTSWVOU-XUJLQICISA-N 1 1 344.415 0.705 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CCO2 ZINC001053287254 765909810 /nfs/dbraw/zinc/90/98/10/765909810.db2.gz QYDLQWUJHRRIDH-QGZVFWFLSA-N 1 1 331.460 0.940 20 30 ECEDMO C=CCN1CC[C@H](N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001016261269 765997639 /nfs/dbraw/zinc/99/76/39/765997639.db2.gz WGHXOTNRMSIWTF-GJZGRUSLSA-N 1 1 331.420 0.169 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nnnn4CC3)CCC[C@H]12 ZINC000992254872 766070918 /nfs/dbraw/zinc/07/09/18/766070918.db2.gz ZLRQGZASUAXSFV-RVKKMQEKSA-N 1 1 342.447 0.762 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000992257635 766075248 /nfs/dbraw/zinc/07/52/48/766075248.db2.gz OJBQSUQTBGCIGZ-DQPZFDDXSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(CCn3cccn3)C2)CC1 ZINC001016331129 766130837 /nfs/dbraw/zinc/13/08/37/766130837.db2.gz XDVJNGNVMQOLJS-QGZVFWFLSA-N 1 1 329.448 0.419 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CCO2 ZINC001053467587 766182116 /nfs/dbraw/zinc/18/21/16/766182116.db2.gz LNPAZGGYAPZBTA-IRXDYDNUSA-N 1 1 331.460 0.940 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H](C)C(N)=O)CC3)nn1 ZINC000992309471 766234049 /nfs/dbraw/zinc/23/40/49/766234049.db2.gz UVCGUHDFLVHISL-KFNAQCHYSA-N 1 1 332.408 0.065 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@H](C)C(N)=O)CC3)nn1 ZINC000992309471 766234054 /nfs/dbraw/zinc/23/40/54/766234054.db2.gz UVCGUHDFLVHISL-KFNAQCHYSA-N 1 1 332.408 0.065 20 30 ECEDMO C=CCN1CC[C@]2(NC(=O)Cn3[n-]cc4c(=O)ncnc3-4)CCC[C@H]12 ZINC000992313904 766240993 /nfs/dbraw/zinc/24/09/93/766240993.db2.gz BLDGLUVZXGNYPP-SUMWQHHRSA-N 1 1 342.403 0.370 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001016419535 766264968 /nfs/dbraw/zinc/26/49/68/766264968.db2.gz PPCFSXVHKXIFFV-ZALBZXLWSA-N 1 1 329.404 0.700 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2nc(C)cc3C)[C@@H](O)C1 ZINC001083690219 766342988 /nfs/dbraw/zinc/34/29/88/766342988.db2.gz HYUUYKVGICYKOF-CABCVRRESA-N 1 1 327.388 0.144 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001045784404 766367255 /nfs/dbraw/zinc/36/72/55/766367255.db2.gz AVXMTUSJZZPSIO-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3nn(C)cc3C)C2)C1=O ZINC001031664296 766385029 /nfs/dbraw/zinc/38/50/29/766385029.db2.gz PICOJTHXVNREFG-AWEZNQCLSA-N 1 1 331.420 0.177 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc(N(C)C)cn1)O2 ZINC001053600962 766408404 /nfs/dbraw/zinc/40/84/04/766408404.db2.gz WVCBVUHDEKCOCU-AWEZNQCLSA-N 1 1 343.431 0.529 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)c1 ZINC001045844976 766426492 /nfs/dbraw/zinc/42/64/92/766426492.db2.gz PJGXJAGGPQIKBZ-IKGGRYGDSA-N 1 1 338.411 0.630 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)nn1 ZINC001045860736 766440172 /nfs/dbraw/zinc/44/01/72/766440172.db2.gz LIFHAMPFKSSBBS-XQQFMLRXSA-N 1 1 332.408 0.017 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(N)=O)nn1 ZINC001045860736 766440175 /nfs/dbraw/zinc/44/01/75/766440175.db2.gz LIFHAMPFKSSBBS-XQQFMLRXSA-N 1 1 332.408 0.017 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCN(C(C)=O)C1)O2 ZINC001053625824 766466439 /nfs/dbraw/zinc/46/64/39/766466439.db2.gz GEGCSASLLUFPLS-IAGOWNOFSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)o1)O2 ZINC001053626214 766467835 /nfs/dbraw/zinc/46/78/35/766467835.db2.gz PRRKBCAJUBDUFH-GFCCVEGCSA-N 1 1 331.372 0.365 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@@H]12 ZINC000992396632 766473530 /nfs/dbraw/zinc/47/35/30/766473530.db2.gz MZCOLKAKXANSMK-PIGZYNQJSA-N 1 1 346.387 0.647 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1 ZINC001053647144 766507759 /nfs/dbraw/zinc/50/77/59/766507759.db2.gz NOAHLIGVFJWBRB-CVEARBPZSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNc1ccnc(C#N)n1 ZINC001053652957 766518242 /nfs/dbraw/zinc/51/82/42/766518242.db2.gz CRENYKZLQFDLDR-MCIONIFRSA-N 1 1 328.420 0.371 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001045948465 766520274 /nfs/dbraw/zinc/52/02/74/766520274.db2.gz JZAMJWIYJCZBEW-IBGZPJMESA-N 1 1 346.475 0.098 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001045971537 766540911 /nfs/dbraw/zinc/54/09/11/766540911.db2.gz PPOCZEHTPMLDEM-SUMWQHHRSA-N 1 1 334.420 0.475 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)ccc3=O)CCC[C@H]12 ZINC000992428973 766550046 /nfs/dbraw/zinc/55/00/46/766550046.db2.gz XEWAYSIKDGAOIJ-YJBOKZPZSA-N 1 1 328.416 0.688 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001045982884 766553855 /nfs/dbraw/zinc/55/38/55/766553855.db2.gz GUUBCWOZFQCKDI-SFHVURJKSA-N 1 1 346.431 0.266 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001045984768 766556212 /nfs/dbraw/zinc/55/62/12/766556212.db2.gz IGUJZEGULJRRKJ-NVXWUHKLSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001045984768 766556214 /nfs/dbraw/zinc/55/62/14/766556214.db2.gz IGUJZEGULJRRKJ-NVXWUHKLSA-N 1 1 338.473 0.901 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](N3CCN(C(=O)CC)CC3)C2)C1=O ZINC001045990460 766566946 /nfs/dbraw/zinc/56/69/46/766566946.db2.gz VAZMQKBUJQVFOM-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC3(C[NH+](C[C@@H](C)O)C3)O2)cn1 ZINC001053690086 766595459 /nfs/dbraw/zinc/59/54/59/766595459.db2.gz DSNRSXDYROESQF-CJNGLKHVSA-N 1 1 329.400 0.407 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@H]2CCCO2)C1 ZINC001016616695 766605665 /nfs/dbraw/zinc/60/56/65/766605665.db2.gz OZHLUCSCYVJWTE-SSHXOBKSSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@H]2CCCO2)C1 ZINC001016616695 766605670 /nfs/dbraw/zinc/60/56/70/766605670.db2.gz OZHLUCSCYVJWTE-SSHXOBKSSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3nncn3C1)O2 ZINC001053700984 766621301 /nfs/dbraw/zinc/62/13/01/766621301.db2.gz JSEGSWSUFOJCEM-CABCVRRESA-N 1 1 343.431 0.213 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC(=O)N(C)C1)O2 ZINC001053701156 766622322 /nfs/dbraw/zinc/62/23/22/766622322.db2.gz NNJKHCQKPQBMAB-HUUCEWRRSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)onc2CC)C[C@H]1OC ZINC001212260840 766629390 /nfs/dbraw/zinc/62/93/90/766629390.db2.gz LLIXZYGBOXCOMF-IAGOWNOFSA-N 1 1 349.431 0.901 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2c(C)onc2CC)C[C@H]1OC ZINC001212260840 766629392 /nfs/dbraw/zinc/62/93/92/766629392.db2.gz LLIXZYGBOXCOMF-IAGOWNOFSA-N 1 1 349.431 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046016127 766650412 /nfs/dbraw/zinc/65/04/12/766650412.db2.gz AZSJJVILOBHBAP-INIZCTEOSA-N 1 1 325.416 0.742 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cc3nc4ncccn4n3)CCC[C@@H]12 ZINC000992473849 766658511 /nfs/dbraw/zinc/65/85/11/766658511.db2.gz GFGPAPDFWOVVPO-RDTXWAMCSA-N 1 1 338.415 0.803 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 ZINC000992474396 766661031 /nfs/dbraw/zinc/66/10/31/766661031.db2.gz LVLZUZXDPPTPSF-SUMWQHHRSA-N 1 1 334.420 0.618 20 30 ECEDMO COC[C@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046021560 766666068 /nfs/dbraw/zinc/66/60/68/766666068.db2.gz JTQQAULWXFENGM-YOEHRIQHSA-N 1 1 345.447 0.753 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC001046027793 766687491 /nfs/dbraw/zinc/68/74/91/766687491.db2.gz RTEDNEPSJVOBHR-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)/C=C\c2ccco2)C1 ZINC000994749720 766692355 /nfs/dbraw/zinc/69/23/55/766692355.db2.gz CYYCXYXDRHAYEQ-PTZVLDCSSA-N 1 1 327.384 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)/C=C\c2ccco2)C1 ZINC000994749720 766692359 /nfs/dbraw/zinc/69/23/59/766692359.db2.gz CYYCXYXDRHAYEQ-PTZVLDCSSA-N 1 1 327.384 0.717 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)nn(C)c2C)C1 ZINC000994750905 766695036 /nfs/dbraw/zinc/69/50/36/766695036.db2.gz DZHRRDNMVPNVHF-HNNXBMFYSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)nn(C)c2C)C1 ZINC000994750905 766695043 /nfs/dbraw/zinc/69/50/43/766695043.db2.gz DZHRRDNMVPNVHF-HNNXBMFYSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccccn2)C1 ZINC001016669093 766696273 /nfs/dbraw/zinc/69/62/73/766696273.db2.gz YSONJXBIFVKDNM-DQPZFDDXSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccccn2)C1 ZINC001016669093 766696277 /nfs/dbraw/zinc/69/62/77/766696277.db2.gz YSONJXBIFVKDNM-DQPZFDDXSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccon2)C1 ZINC001016670399 766698717 /nfs/dbraw/zinc/69/87/17/766698717.db2.gz NIPZDHIOVVIWLC-PIMMBPRGSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccon2)C1 ZINC001016670399 766698721 /nfs/dbraw/zinc/69/87/21/766698721.db2.gz NIPZDHIOVVIWLC-PIMMBPRGSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2cc[nH]n2)C1 ZINC001016670384 766699092 /nfs/dbraw/zinc/69/90/92/766699092.db2.gz MVQUUGNZIJGMQV-GPANFISMSA-N 1 1 343.431 0.155 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2cc[nH]n2)C1 ZINC001016670384 766699096 /nfs/dbraw/zinc/69/90/96/766699096.db2.gz MVQUUGNZIJGMQV-GPANFISMSA-N 1 1 343.431 0.155 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001046031258 766700983 /nfs/dbraw/zinc/70/09/83/766700983.db2.gz LLZVEYBSOLYOMW-IXDOHACOSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCO[C@H]3C=C)CC2)C1 ZINC001046031744 766703055 /nfs/dbraw/zinc/70/30/55/766703055.db2.gz VEZNSBTWFAWSHV-KURKYZTESA-N 1 1 331.460 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccccc2C#C)C1 ZINC000994752779 766704724 /nfs/dbraw/zinc/70/47/24/766704724.db2.gz VLRWUCGMJPGGRP-IBGZPJMESA-N 1 1 349.434 0.635 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccccc2C#C)C1 ZINC000994752779 766704727 /nfs/dbraw/zinc/70/47/27/766704727.db2.gz VLRWUCGMJPGGRP-IBGZPJMESA-N 1 1 349.434 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC000994754932 766708582 /nfs/dbraw/zinc/70/85/82/766708582.db2.gz OVYZJBURRVMFFH-AAEUAGOBSA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC000994754932 766708584 /nfs/dbraw/zinc/70/85/84/766708584.db2.gz OVYZJBURRVMFFH-AAEUAGOBSA-N 1 1 327.375 0.702 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC001046034291 766715132 /nfs/dbraw/zinc/71/51/32/766715132.db2.gz RPPZETSJLAPLFE-KRWDZBQOSA-N 1 1 331.464 0.676 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2C)C1 ZINC001041998232 782574196 /nfs/dbraw/zinc/57/41/96/782574196.db2.gz FCMRBDRSAARHME-YUELXQCFSA-N 1 1 344.419 0.010 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2C)C1 ZINC001041998232 782574201 /nfs/dbraw/zinc/57/42/01/782574201.db2.gz FCMRBDRSAARHME-YUELXQCFSA-N 1 1 344.419 0.010 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2C)C1 ZINC001041997959 782574340 /nfs/dbraw/zinc/57/43/40/782574340.db2.gz AMWHYNWFHLPNOQ-KBRIMQKVSA-N 1 1 343.431 0.615 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2C)C1 ZINC001041997959 782574349 /nfs/dbraw/zinc/57/43/49/782574349.db2.gz AMWHYNWFHLPNOQ-KBRIMQKVSA-N 1 1 343.431 0.615 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnc(C)o3)CC2)C1 ZINC001046035350 766719667 /nfs/dbraw/zinc/71/96/67/766719667.db2.gz JVJGPNRFCNUZMQ-INIZCTEOSA-N 1 1 330.432 0.767 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cn(C)nc3C)CC2)C1 ZINC001046036179 766726076 /nfs/dbraw/zinc/72/60/76/766726076.db2.gz CBJUHZRHNCHCKF-SFHVURJKSA-N 1 1 343.475 0.513 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)C1 ZINC001046036446 766727287 /nfs/dbraw/zinc/72/72/87/766727287.db2.gz KLEKULXFIDHZCD-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cn(C)nc3C)CC2)C1 ZINC001046036753 766729161 /nfs/dbraw/zinc/72/91/61/766729161.db2.gz OJHFSWRTWVGLBC-SFHVURJKSA-N 1 1 343.475 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cncc(C)c2)C1 ZINC000994756661 766730451 /nfs/dbraw/zinc/73/04/51/766730451.db2.gz YFUCQGYOYLEZQD-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cncc(C)c2)C1 ZINC000994756661 766730458 /nfs/dbraw/zinc/73/04/58/766730458.db2.gz YFUCQGYOYLEZQD-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001041998825 782575464 /nfs/dbraw/zinc/57/54/64/782575464.db2.gz CNGTYIXCZIMTLK-UKRRQHHQSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nc(CC)c[nH]3)CC2)C1 ZINC001046037328 766732865 /nfs/dbraw/zinc/73/28/65/766732865.db2.gz WQRUEBRUAQIUCQ-INIZCTEOSA-N 1 1 331.464 0.919 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046037634 766735339 /nfs/dbraw/zinc/73/53/39/766735339.db2.gz VLYJWIBPWREHKT-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046039510 766742041 /nfs/dbraw/zinc/74/20/41/766742041.db2.gz ZQGRDQMMPXHVHT-APWZRJJASA-N 1 1 348.491 0.697 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC001046040548 766747823 /nfs/dbraw/zinc/74/78/23/766747823.db2.gz DSOUEYXSEGYWIO-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC001046042567 766756556 /nfs/dbraw/zinc/75/65/56/766756556.db2.gz JDKNAXZAMMDZLH-QGZVFWFLSA-N 1 1 342.443 0.241 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)Nc3ccccc3)CC2)C1 ZINC001046042697 766757582 /nfs/dbraw/zinc/75/75/82/766757582.db2.gz KOOLYYYQQSPOBE-QGZVFWFLSA-N 1 1 340.427 0.477 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC001046044246 766766387 /nfs/dbraw/zinc/76/63/87/766766387.db2.gz RJXBJGUQJRUPFM-KRWDZBQOSA-N 1 1 342.443 0.572 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC001046045340 766770776 /nfs/dbraw/zinc/77/07/76/766770776.db2.gz WOMJWBIPIOLCEX-MRXNPFEDSA-N 1 1 329.448 0.123 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001046047414 766778164 /nfs/dbraw/zinc/77/81/64/766778164.db2.gz OWFSMPGOCHEISX-DLBZAZTESA-N 1 1 348.491 0.697 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC001046047872 766779352 /nfs/dbraw/zinc/77/93/52/766779352.db2.gz ZRVVDPOQPHLUBN-APWZRJJASA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncccc3OC)CC2)C1 ZINC001046054279 766801430 /nfs/dbraw/zinc/80/14/30/766801430.db2.gz KKZWFHSNDKMTJZ-MRXNPFEDSA-N 1 1 342.443 0.484 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001089645938 766801553 /nfs/dbraw/zinc/80/15/53/766801553.db2.gz DSIYAFBQEQWADY-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046059469 766821999 /nfs/dbraw/zinc/82/19/99/766821999.db2.gz IITXXJJQGAWDRQ-IAGOWNOFSA-N 1 1 346.475 0.287 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 ZINC001046060526 766825926 /nfs/dbraw/zinc/82/59/26/766825926.db2.gz BDXVLBQSGFNHSQ-LPHOPBHVSA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC001046064243 766840810 /nfs/dbraw/zinc/84/08/10/766840810.db2.gz ILIYEYYHKYDTFR-QGZVFWFLSA-N 1 1 346.479 0.542 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nn(C)c3OC)CC2)C1 ZINC001046067270 766856342 /nfs/dbraw/zinc/85/63/42/766856342.db2.gz WGYXAZBJFOXEQQ-HNNXBMFYSA-N 1 1 347.463 0.755 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(COC)on3)CC2)C1 ZINC001046068526 766863246 /nfs/dbraw/zinc/86/32/46/766863246.db2.gz NLKZEGOKVFPUME-CQSZACIVSA-N 1 1 332.404 0.286 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4nncn4c3)CC2)C1 ZINC001046070095 766872242 /nfs/dbraw/zinc/87/22/42/766872242.db2.gz OXBIPZZXPDALPR-MRXNPFEDSA-N 1 1 338.415 0.195 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046070449 766873548 /nfs/dbraw/zinc/87/35/48/766873548.db2.gz VOLXGPTWKQIHNH-WMZOPIPTSA-N 1 1 343.475 0.830 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046070449 766873556 /nfs/dbraw/zinc/87/35/56/766873556.db2.gz VOLXGPTWKQIHNH-WMZOPIPTSA-N 1 1 343.475 0.830 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046070449 766873564 /nfs/dbraw/zinc/87/35/64/766873564.db2.gz VOLXGPTWKQIHNH-WMZOPIPTSA-N 1 1 343.475 0.830 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)CC2)C1 ZINC001046070856 766875345 /nfs/dbraw/zinc/87/53/45/766875345.db2.gz CLGSKMVPFFICOX-WMLDXEAASA-N 1 1 343.475 0.982 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)nn3C)CC2)C1 ZINC001046074304 766890015 /nfs/dbraw/zinc/89/00/15/766890015.db2.gz XLHZYOMFUQUAMZ-KRWDZBQOSA-N 1 1 343.475 0.838 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3CC)CC2)C1 ZINC001046075026 766894186 /nfs/dbraw/zinc/89/41/86/766894186.db2.gz NBPJBXOFMLOFJB-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC001046075774 766900447 /nfs/dbraw/zinc/90/04/47/766900447.db2.gz YEEDUXQVLZMKAW-SFHVURJKSA-N 1 1 341.459 0.651 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc(OC)n3)CC2)C1 ZINC001046076550 766904171 /nfs/dbraw/zinc/90/41/71/766904171.db2.gz FNUSYRUNDXVZPO-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(N(C)C)nn3)CC2)C1 ZINC001046077544 766908109 /nfs/dbraw/zinc/90/81/09/766908109.db2.gz XQXWPTHEAVUFQC-OAHLLOKOSA-N 1 1 342.447 0.008 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC001046077754 766908939 /nfs/dbraw/zinc/90/89/39/766908939.db2.gz YQWFSKWYHIFODE-MRXNPFEDSA-N 1 1 331.464 0.757 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC001046078948 766911668 /nfs/dbraw/zinc/91/16/68/766911668.db2.gz NWNXYPAIKGTDHD-HNNXBMFYSA-N 1 1 345.447 0.893 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC001046082720 766922291 /nfs/dbraw/zinc/92/22/91/766922291.db2.gz VVVOZZROLNDSMY-QGZVFWFLSA-N 1 1 348.491 0.794 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)N3CCCCC3=O)CC2)C1 ZINC001046084878 766925948 /nfs/dbraw/zinc/92/59/48/766925948.db2.gz BYBFLNQWRUOBBN-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc(C(N)=O)n3)CC2)C1 ZINC001046085110 766926468 /nfs/dbraw/zinc/92/64/68/766926468.db2.gz LDPRBWAVGZOELC-CQSZACIVSA-N 1 1 343.431 0.199 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCN([C@H]3CC[N@@H+](CCC)C3)CC2)CC1 ZINC001046086495 766928456 /nfs/dbraw/zinc/92/84/56/766928456.db2.gz OTUTXNPNLLTYKY-IBGZPJMESA-N 1 1 346.519 0.960 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCN([C@H]3CC[N@H+](CCC)C3)CC2)CC1 ZINC001046086495 766928458 /nfs/dbraw/zinc/92/84/58/766928458.db2.gz OTUTXNPNLLTYKY-IBGZPJMESA-N 1 1 346.519 0.960 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)c3cnn(C)c3)CC2)C1 ZINC001046086527 766928539 /nfs/dbraw/zinc/92/85/39/766928539.db2.gz JMEQKPQCSUCQBW-NVXWUHKLSA-N 1 1 331.464 0.928 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(OCC)cn3)CC2)C1 ZINC001046089806 766932046 /nfs/dbraw/zinc/93/20/46/766932046.db2.gz JCZMETYLJMLMFH-OAHLLOKOSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC001046089896 766932142 /nfs/dbraw/zinc/93/21/42/766932142.db2.gz KQSPLXNKCSPFJB-OAHLLOKOSA-N 1 1 330.436 0.072 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC(C)C)C1 ZINC001111640461 766972924 /nfs/dbraw/zinc/97/29/24/766972924.db2.gz JVDJXFSAQMNDTH-VKJFTORMSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(C(C)C)o2)C1 ZINC001031740603 766985826 /nfs/dbraw/zinc/98/58/26/766985826.db2.gz GRXLQXOOVHBUEV-HNNXBMFYSA-N 1 1 345.447 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(C(C)C)o2)C1 ZINC001031740603 766985828 /nfs/dbraw/zinc/98/58/28/766985828.db2.gz GRXLQXOOVHBUEV-HNNXBMFYSA-N 1 1 345.447 0.839 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)CN1CCCCC1=O)CO2 ZINC001053856283 767036923 /nfs/dbraw/zinc/03/69/23/767036923.db2.gz GWSBZIJALXWMKY-HNNXBMFYSA-N 1 1 335.448 0.925 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001078273227 782600486 /nfs/dbraw/zinc/60/04/86/782600486.db2.gz HTDWODGJFDERPM-ZIAGYGMSSA-N 1 1 328.376 0.013 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001042015540 782602109 /nfs/dbraw/zinc/60/21/09/782602109.db2.gz JBBKPPMHYBFITB-WFASDCNBSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)CO2 ZINC001053865260 767069899 /nfs/dbraw/zinc/06/98/99/767069899.db2.gz UZQLILDCGRKFTA-KBPBESRZSA-N 1 1 336.436 0.313 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(OC)n(C)n1)CO2 ZINC001053865964 767072506 /nfs/dbraw/zinc/07/25/06/767072506.db2.gz NVFQKXVGXXCZKZ-CYBMUJFWSA-N 1 1 334.420 0.968 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046239919 767103867 /nfs/dbraw/zinc/10/38/67/767103867.db2.gz OAKLTSIWEUAHQL-GTNSWQLSSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046239919 767103873 /nfs/dbraw/zinc/10/38/73/767103873.db2.gz OAKLTSIWEUAHQL-GTNSWQLSSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cn(C)cn3)C2)C1=O ZINC001046240342 767104463 /nfs/dbraw/zinc/10/44/63/767104463.db2.gz ABBLBXJIECFJGU-PBHICJAKSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cn(C)cn3)C2)C1=O ZINC001046240342 767104464 /nfs/dbraw/zinc/10/44/64/767104464.db2.gz ABBLBXJIECFJGU-PBHICJAKSA-N 1 1 331.420 0.401 20 30 ECEDMO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001046240217 767104466 /nfs/dbraw/zinc/10/44/66/767104466.db2.gz QCKIJVFXIWHCEQ-YOEHRIQHSA-N 1 1 342.403 0.338 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001046247371 767106292 /nfs/dbraw/zinc/10/62/92/767106292.db2.gz DTTGIURPOVDVCE-QGZVFWFLSA-N 1 1 341.419 0.989 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccon2)C1 ZINC000938755955 767106787 /nfs/dbraw/zinc/10/67/87/767106787.db2.gz DANDTGLIDFJWEJ-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccon2)C1 ZINC000938755955 767106789 /nfs/dbraw/zinc/10/67/89/767106789.db2.gz DANDTGLIDFJWEJ-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046247779 767106907 /nfs/dbraw/zinc/10/69/07/767106907.db2.gz JCZLSCVRKPAONE-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046247779 767106909 /nfs/dbraw/zinc/10/69/09/767106909.db2.gz JCZLSCVRKPAONE-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cccnc2)C1 ZINC000938756686 767108194 /nfs/dbraw/zinc/10/81/94/767108194.db2.gz VENVMUNBTHFOHH-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cccnc2)C1 ZINC000938756686 767108195 /nfs/dbraw/zinc/10/81/95/767108195.db2.gz VENVMUNBTHFOHH-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001046249609 767109081 /nfs/dbraw/zinc/10/90/81/767109081.db2.gz YXNIPKZUAVFMPS-SUMWQHHRSA-N 1 1 339.403 0.860 20 30 ECEDMO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001089712468 767110326 /nfs/dbraw/zinc/11/03/26/767110326.db2.gz AHDMUAIJRKFDNR-CYBMUJFWSA-N 1 1 327.392 0.884 20 30 ECEDMO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001046253241 767110811 /nfs/dbraw/zinc/11/08/11/767110811.db2.gz SQCODVVAQBMSGT-FZKQIMNGSA-N 1 1 343.431 0.997 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046288617 767129259 /nfs/dbraw/zinc/12/92/59/767129259.db2.gz PKKGCYPRDWXROB-RHSMWYFYSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046288617 767129260 /nfs/dbraw/zinc/12/92/60/767129260.db2.gz PKKGCYPRDWXROB-RHSMWYFYSA-N 1 1 346.362 0.886 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC001089731486 767134228 /nfs/dbraw/zinc/13/42/28/767134228.db2.gz RFZVBCIMMIONAB-GFCCVEGCSA-N 1 1 329.404 0.429 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC001089731486 767134230 /nfs/dbraw/zinc/13/42/30/767134230.db2.gz RFZVBCIMMIONAB-GFCCVEGCSA-N 1 1 329.404 0.429 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046320851 767146149 /nfs/dbraw/zinc/14/61/49/767146149.db2.gz LDNGMWBJMTYOGX-DYVFJYSZSA-N 1 1 329.404 0.367 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001046329124 767152034 /nfs/dbraw/zinc/15/20/34/767152034.db2.gz HHXICTRJMJLOOX-LXZKKBNFSA-N 1 1 343.431 0.321 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001046329124 767152035 /nfs/dbraw/zinc/15/20/35/767152035.db2.gz HHXICTRJMJLOOX-LXZKKBNFSA-N 1 1 343.431 0.321 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001046363272 767170686 /nfs/dbraw/zinc/17/06/86/767170686.db2.gz ZGLNONBEHMEUHY-SFHVURJKSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001212316085 767206873 /nfs/dbraw/zinc/20/68/73/767206873.db2.gz HHEUHIUSSOSJRV-QJPTWQEYSA-N 1 1 349.353 0.282 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001046418960 767207590 /nfs/dbraw/zinc/20/75/90/767207590.db2.gz SYAKYMFBGYHRMK-OAHLLOKOSA-N 1 1 326.462 0.968 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001046418960 767207592 /nfs/dbraw/zinc/20/75/92/767207592.db2.gz SYAKYMFBGYHRMK-OAHLLOKOSA-N 1 1 326.462 0.968 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1 ZINC001089795817 767220499 /nfs/dbraw/zinc/22/04/99/767220499.db2.gz AYPCBMWYQWGLBD-MLHJIOFPSA-N 1 1 331.460 0.511 20 30 ECEDMO Cn1ncnc1C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805674 767233593 /nfs/dbraw/zinc/23/35/93/767233593.db2.gz KYGUQPIIXXUMPC-YVSFHVDLSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1ncnc1C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805674 767233595 /nfs/dbraw/zinc/23/35/95/767233595.db2.gz KYGUQPIIXXUMPC-YVSFHVDLSA-N 1 1 339.443 0.897 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CS(=O)(=O)C1 ZINC001089806108 767234015 /nfs/dbraw/zinc/23/40/15/767234015.db2.gz NEXALCQJKCXAFL-XZDPQHSOSA-N 1 1 338.473 0.776 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(CCOC)nn1 ZINC001089808130 767234062 /nfs/dbraw/zinc/23/40/62/767234062.db2.gz GYJQNDULQIKDAM-HWMZRRJGSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001046505498 767267445 /nfs/dbraw/zinc/26/74/45/767267445.db2.gz HUZZZJCOVIIZMS-ZIFCJYIRSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001046509945 767269234 /nfs/dbraw/zinc/26/92/34/767269234.db2.gz QEBWDKLCFCYDLL-QGZVFWFLSA-N 1 1 327.388 0.549 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046536996 767287859 /nfs/dbraw/zinc/28/78/59/767287859.db2.gz ARZVXOHYORUGJT-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046536996 767287860 /nfs/dbraw/zinc/28/78/60/767287860.db2.gz ARZVXOHYORUGJT-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046538533 767289106 /nfs/dbraw/zinc/28/91/06/767289106.db2.gz KPRCDTWACGZIKJ-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046538533 767289107 /nfs/dbraw/zinc/28/91/07/767289107.db2.gz KPRCDTWACGZIKJ-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046539064 767290028 /nfs/dbraw/zinc/29/00/28/767290028.db2.gz NPEGQCUOQLPNHE-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046539064 767290030 /nfs/dbraw/zinc/29/00/30/767290030.db2.gz NPEGQCUOQLPNHE-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncnn1 ZINC001089817554 767290513 /nfs/dbraw/zinc/29/05/13/767290513.db2.gz SOVQVSMIBGHTEJ-JONQDZQNSA-N 1 1 330.436 0.808 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccoc1CC(N)=O)CO2 ZINC001053904688 767312810 /nfs/dbraw/zinc/31/28/10/767312810.db2.gz BDZNKGVUADHUGT-GFCCVEGCSA-N 1 1 333.388 0.457 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001046573154 767316074 /nfs/dbraw/zinc/31/60/74/767316074.db2.gz HDFMPDYDLQLYDN-KBXCAEBGSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001046573154 767316076 /nfs/dbraw/zinc/31/60/76/767316076.db2.gz HDFMPDYDLQLYDN-KBXCAEBGSA-N 1 1 345.447 0.710 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2C#N)C1 ZINC001046577811 767323397 /nfs/dbraw/zinc/32/33/97/767323397.db2.gz VHFKTMKLQSCKOI-FQUUOJAGSA-N 1 1 328.420 0.853 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908050 767328027 /nfs/dbraw/zinc/32/80/27/767328027.db2.gz JMJYIMATBFTATH-HOTGVXAUSA-N 1 1 342.443 0.737 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc3n(n2)CCO3)C1 ZINC001089821752 767331286 /nfs/dbraw/zinc/33/12/86/767331286.db2.gz YBRSBPPXLDYFBB-YXWQFLTLSA-N 1 1 326.400 0.691 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc[nH]c1=O ZINC001089823003 767339489 /nfs/dbraw/zinc/33/94/89/767339489.db2.gz BSHKENFYOWUMQY-HNKHHVNMSA-N 1 1 326.400 0.988 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc[nH]c1=O ZINC001089823646 767340287 /nfs/dbraw/zinc/34/02/87/767340287.db2.gz HAXLTFPRGUSFEH-HNKHHVNMSA-N 1 1 326.400 0.988 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001046618778 767373732 /nfs/dbraw/zinc/37/37/32/767373732.db2.gz JSWLAQIEJWUQCO-FCEWJHQRSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001089832913 767397746 /nfs/dbraw/zinc/39/77/46/767397746.db2.gz BPDIKQCMHUCQAS-VGWMRTNUSA-N 1 1 345.443 0.880 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046631982 767404064 /nfs/dbraw/zinc/40/40/64/767404064.db2.gz PFYRUUQMAFANDT-JKIFEVAISA-N 1 1 336.436 0.183 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(CCC)C1)CO2 ZINC001053941278 767411651 /nfs/dbraw/zinc/41/16/51/767411651.db2.gz VLIIJKFWFFKIMN-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106157872 767421626 /nfs/dbraw/zinc/42/16/26/767421626.db2.gz LADOFRQUFZYBRJ-HUUCEWRRSA-N 1 1 331.420 0.717 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106157870 767421951 /nfs/dbraw/zinc/42/19/51/767421951.db2.gz LADOFRQUFZYBRJ-CABCVRRESA-N 1 1 331.420 0.717 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccnnc3)C2)C1=O ZINC001046655087 767423194 /nfs/dbraw/zinc/42/31/94/767423194.db2.gz LGXUDNYDMRUPAN-YOEHRIQHSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccnnc3)C2)C1=O ZINC001046655087 767423199 /nfs/dbraw/zinc/42/31/99/767423199.db2.gz LGXUDNYDMRUPAN-YOEHRIQHSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1nnnc1C(C)C)CO2 ZINC001053949579 767432738 /nfs/dbraw/zinc/43/27/38/767432738.db2.gz LBFWUCVHYPAWHK-CYBMUJFWSA-N 1 1 334.424 0.332 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001089836776 767432859 /nfs/dbraw/zinc/43/28/59/767432859.db2.gz UEBIJCUYHUXUBZ-XUXIUFHCSA-N 1 1 327.384 0.794 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046671502 767451188 /nfs/dbraw/zinc/45/11/88/767451188.db2.gz GIBPSEXRQHYJEK-OAHLLOKOSA-N 1 1 349.475 0.929 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(=O)n(CC)n1)CO2 ZINC001053960089 767458292 /nfs/dbraw/zinc/45/82/92/767458292.db2.gz OAQJOGLDDKBOFL-AWEZNQCLSA-N 1 1 346.431 0.803 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001046677862 767465088 /nfs/dbraw/zinc/46/50/88/767465088.db2.gz YWEOUBYODXNINQ-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001046682304 767472829 /nfs/dbraw/zinc/47/28/29/767472829.db2.gz YOFFNBRRQKABJB-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001046682304 767472834 /nfs/dbraw/zinc/47/28/34/767472834.db2.gz YOFFNBRRQKABJB-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106169148 767476827 /nfs/dbraw/zinc/47/68/27/767476827.db2.gz AWHBUEAWVXBHRM-IRXDYDNUSA-N 1 1 345.447 0.963 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106169771 767479026 /nfs/dbraw/zinc/47/90/26/767479026.db2.gz LLYUJWAUKAFTGI-HOTGVXAUSA-N 1 1 345.447 0.963 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001046688831 767484774 /nfs/dbraw/zinc/48/47/74/767484774.db2.gz ACQBAURGWYTRJT-BLLLJJGKSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001046688831 767484777 /nfs/dbraw/zinc/48/47/77/767484777.db2.gz ACQBAURGWYTRJT-BLLLJJGKSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+](CCn3cccn3)C2)nn1 ZINC001046689998 767487497 /nfs/dbraw/zinc/48/74/97/767487497.db2.gz QHPWXNTVKWHQSJ-QGZVFWFLSA-N 1 1 343.435 0.945 20 30 ECEDMO N#CCN1CC2(C1)C[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)CO2 ZINC001053968664 767488034 /nfs/dbraw/zinc/48/80/34/767488034.db2.gz SLLWGGFVVHIXPI-AWEZNQCLSA-N 1 1 338.371 0.364 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCCN1C(N)=O)CO2 ZINC001053980883 767521582 /nfs/dbraw/zinc/52/15/82/767521582.db2.gz UKNJRSRSXQOKJP-KBPBESRZSA-N 1 1 336.436 0.455 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC(=O)N1C)CO2 ZINC001053997728 767557931 /nfs/dbraw/zinc/55/79/31/767557931.db2.gz VPXAEZZWNZGWCO-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001046753210 767590433 /nfs/dbraw/zinc/59/04/33/767590433.db2.gz SPYKQBSJJSLAAE-OBJOEFQTSA-N 1 1 349.460 0.961 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001046753210 767590438 /nfs/dbraw/zinc/59/04/38/767590438.db2.gz SPYKQBSJJSLAAE-OBJOEFQTSA-N 1 1 349.460 0.961 20 30 ECEDMO Cn1nncc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001017107164 767596581 /nfs/dbraw/zinc/59/65/81/767596581.db2.gz PYAHMRJVPJDZLK-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1nc(C3CC3)nn1C)CO2 ZINC001054014916 767601673 /nfs/dbraw/zinc/60/16/73/767601673.db2.gz UUQGVMIXNMBJLZ-AWEZNQCLSA-N 1 1 345.447 0.771 20 30 ECEDMO Cn1nncc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001017110004 767602325 /nfs/dbraw/zinc/60/23/25/767602325.db2.gz URDFFQDIONDOAA-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)nc1)CO2 ZINC001054023762 767621525 /nfs/dbraw/zinc/62/15/25/767621525.db2.gz GSLXBJVZOLRRKM-CQSZACIVSA-N 1 1 344.415 0.720 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001054050664 767649940 /nfs/dbraw/zinc/64/99/40/767649940.db2.gz IVWDWSLIWVEBJP-HOTGVXAUSA-N 1 1 326.400 0.234 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001054050664 767649942 /nfs/dbraw/zinc/64/99/42/767649942.db2.gz IVWDWSLIWVEBJP-HOTGVXAUSA-N 1 1 326.400 0.234 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001054056074 767653490 /nfs/dbraw/zinc/65/34/90/767653490.db2.gz XPLJINBLXRVUJR-INIZCTEOSA-N 1 1 341.411 0.768 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001054056074 767653495 /nfs/dbraw/zinc/65/34/95/767653495.db2.gz XPLJINBLXRVUJR-INIZCTEOSA-N 1 1 341.411 0.768 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001017159664 767666081 /nfs/dbraw/zinc/66/60/81/767666081.db2.gz ARKUTHJJHGCXBD-UONOGXRCSA-N 1 1 332.448 0.985 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)c1 ZINC001054111930 767701522 /nfs/dbraw/zinc/70/15/22/767701522.db2.gz FECDYXFDERUTDR-QAPCUYQASA-N 1 1 341.415 0.703 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001054146888 767742440 /nfs/dbraw/zinc/74/24/40/767742440.db2.gz TYUHMCVHOGEPKT-SUMWQHHRSA-N 1 1 334.420 0.475 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C)c(=O)cn1)C2 ZINC001054167196 767765534 /nfs/dbraw/zinc/76/55/34/767765534.db2.gz ABDCVHBXGSEMLH-SFHVURJKSA-N 1 1 328.416 0.732 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c(C)c(C)nn(C)c1=O)C2 ZINC001054174704 767774024 /nfs/dbraw/zinc/77/40/24/767774024.db2.gz YLKVLTMVVUENDN-IBGZPJMESA-N 1 1 342.443 0.958 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cnccc1=O)C2 ZINC001054220473 767825628 /nfs/dbraw/zinc/82/56/28/767825628.db2.gz GCCMCGUOMOIOMQ-LJQANCHMSA-N 1 1 342.443 0.971 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(N)=O)C2 ZINC001054226554 767833246 /nfs/dbraw/zinc/83/32/46/767833246.db2.gz SLKPDEVBWFQJOR-QAPCUYQASA-N 1 1 332.448 0.867 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001054235623 767844630 /nfs/dbraw/zinc/84/46/30/767844630.db2.gz YMEMHWGYDKHJAC-MJGOQNOKSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001054237034 767845662 /nfs/dbraw/zinc/84/56/62/767845662.db2.gz QWBYSQLEAYKAGD-RDTXWAMCSA-N 1 1 346.431 0.312 20 30 ECEDMO Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C3)n1 ZINC001054903828 768405738 /nfs/dbraw/zinc/40/57/38/768405738.db2.gz SZQYVRPBITUKIO-UGUYLWEFSA-N 1 1 340.431 0.977 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106539407 768418796 /nfs/dbraw/zinc/41/87/96/768418796.db2.gz MCQBXIQDJNUVSU-ZFWWWQNUSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106539407 768418798 /nfs/dbraw/zinc/41/87/98/768418798.db2.gz MCQBXIQDJNUVSU-ZFWWWQNUSA-N 1 1 346.435 0.764 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)C1 ZINC001054935696 768444048 /nfs/dbraw/zinc/44/40/48/768444048.db2.gz VKBDYKNCIOVFOK-IWCQGFGOSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)C1 ZINC001054935696 768444053 /nfs/dbraw/zinc/44/40/53/768444053.db2.gz VKBDYKNCIOVFOK-IWCQGFGOSA-N 1 1 341.415 0.510 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993200704 768455405 /nfs/dbraw/zinc/45/54/05/768455405.db2.gz NXGXHENVHULUBI-WFASDCNBSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993200704 768455408 /nfs/dbraw/zinc/45/54/08/768455408.db2.gz NXGXHENVHULUBI-WFASDCNBSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001054976847 768492022 /nfs/dbraw/zinc/49/20/22/768492022.db2.gz QCKMSJFFBSFDEQ-CHWSQXEVSA-N 1 1 333.436 0.957 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106692856 768605954 /nfs/dbraw/zinc/60/59/54/768605954.db2.gz DURWIJWNFWDMTN-DGCLKSJQSA-N 1 1 344.419 0.225 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)C1 ZINC001055196635 768658474 /nfs/dbraw/zinc/65/84/74/768658474.db2.gz BHUJFISDOVCFGA-KBXIAJHMSA-N 1 1 340.431 0.916 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001055233403 768691160 /nfs/dbraw/zinc/69/11/60/768691160.db2.gz ICMCWYXPYWSPAX-IYBDPMFKSA-N 1 1 335.448 0.592 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001055250183 768708532 /nfs/dbraw/zinc/70/85/32/768708532.db2.gz AKRNGYOTFBOUQI-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001055250978 768709460 /nfs/dbraw/zinc/70/94/60/768709460.db2.gz RMBVFVMNPGYVAY-OWCLPIDISA-N 1 1 335.448 0.590 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 ZINC001055294821 768749125 /nfs/dbraw/zinc/74/91/25/768749125.db2.gz OBPIFAKNBUAYRB-APIJFGDWSA-N 1 1 326.404 0.668 20 30 ECEDMO C#CCNC(=O)CC(=O)N(CC)CCNc1nc(C)[nH+]c(C)c1C ZINC001106730414 768759114 /nfs/dbraw/zinc/75/91/14/768759114.db2.gz XBRGUNFESUFSDB-UHFFFAOYSA-N 1 1 331.420 0.802 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@@H]3C2)C1 ZINC001055334392 768790789 /nfs/dbraw/zinc/79/07/89/768790789.db2.gz PKAAQIRRUQPAON-HRCADAONSA-N 1 1 331.460 0.904 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]21 ZINC001042062186 782698909 /nfs/dbraw/zinc/69/89/09/782698909.db2.gz KIQRWVVLRJWGSR-LSDHHAIUSA-N 1 1 345.443 0.718 20 30 ECEDMO CC(F)(F)C(=O)NCC[NH+]1CCC(NC(=O)CSCC#N)CC1 ZINC001055494684 768938800 /nfs/dbraw/zinc/93/88/00/768938800.db2.gz TVBQVHILKWNIQS-UHFFFAOYSA-N 1 1 348.419 0.595 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cnccn2)CC1 ZINC001055502771 768955678 /nfs/dbraw/zinc/95/56/78/768955678.db2.gz PLKUBCWYYJACHM-UHFFFAOYSA-N 1 1 343.431 0.446 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993397102 768959213 /nfs/dbraw/zinc/95/92/13/768959213.db2.gz PJFDCECXHATDKX-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C ZINC000993415240 769000602 /nfs/dbraw/zinc/00/06/02/769000602.db2.gz OMEKRSLQDIMLNJ-UONOGXRCSA-N 1 1 334.420 0.092 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cocn2)CC1 ZINC001055542621 769066716 /nfs/dbraw/zinc/06/67/16/769066716.db2.gz FPMWLTXEAYTEDK-ZDUSSCGKSA-N 1 1 348.403 0.023 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCC(Nc3cncc(C#N)n3)CC2)C1 ZINC001060583576 769066987 /nfs/dbraw/zinc/06/69/87/769066987.db2.gz HDCUUUBALPIJRT-SSDMNJCBSA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CCC(Nc3cncc(C#N)n3)CC2)C1 ZINC001060583576 769066992 /nfs/dbraw/zinc/06/69/92/769066992.db2.gz HDCUUUBALPIJRT-SSDMNJCBSA-N 1 1 344.419 0.518 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cn(C)cn2)CC1 ZINC001055560028 769113721 /nfs/dbraw/zinc/11/37/21/769113721.db2.gz HQBMLTDKNIACPX-UHFFFAOYSA-N 1 1 345.447 0.390 20 30 ECEDMO Cc1c[nH]c(C(=O)NCC[NH+]2CCC(NC(=O)C#CC3CC3)CC2)n1 ZINC001055580274 769178344 /nfs/dbraw/zinc/17/83/44/769178344.db2.gz BOYWDICVHBBJMJ-UHFFFAOYSA-N 1 1 343.431 0.442 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)CC1 ZINC001018357034 769178816 /nfs/dbraw/zinc/17/88/16/769178816.db2.gz ADUCTRLNEOGNPM-DLBZAZTESA-N 1 1 349.475 0.982 20 30 ECEDMO C=C(C)CCC(=O)NCCN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055584692 769182779 /nfs/dbraw/zinc/18/27/79/769182779.db2.gz NRPVKGPOZIEUNI-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC001018362593 769199626 /nfs/dbraw/zinc/19/96/26/769199626.db2.gz GLRAIYATWGARKJ-QGZVFWFLSA-N 1 1 347.459 0.165 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000993518612 769216049 /nfs/dbraw/zinc/21/60/49/769216049.db2.gz HZIMXGFHHCKAKL-WCQYABFASA-N 1 1 339.417 0.533 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H]1C ZINC000993527194 769228453 /nfs/dbraw/zinc/22/84/53/769228453.db2.gz ZMVNDNUGJFSIJR-CHWSQXEVSA-N 1 1 328.376 0.535 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CC[NH+](CC)CC2)C1 ZINC001018371604 769229224 /nfs/dbraw/zinc/22/92/24/769229224.db2.gz GQQXELXZGRPXFU-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042084293 782734197 /nfs/dbraw/zinc/73/41/97/782734197.db2.gz UMFCJVNYNJOXPS-VNHYZAJKSA-N 1 1 328.420 0.631 20 30 ECEDMO C=C1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000993571574 769269078 /nfs/dbraw/zinc/26/90/78/769269078.db2.gz TYXMGTYNKIGPIP-DLBZAZTESA-N 1 1 347.459 0.923 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001055630976 769301862 /nfs/dbraw/zinc/30/18/62/769301862.db2.gz BKOUHSGIAXJZHW-AWEZNQCLSA-N 1 1 349.479 0.185 20 30 ECEDMO C#CCCCC(=O)NC1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633297 769309941 /nfs/dbraw/zinc/30/99/41/769309941.db2.gz JBRMAMIEVLRWKQ-UHFFFAOYSA-N 1 1 336.480 0.438 20 30 ECEDMO Cc1cnoc1C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055634701 769313696 /nfs/dbraw/zinc/31/36/96/769313696.db2.gz PRSJZLUYELUJFI-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO Cc1conc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC001055642118 769328313 /nfs/dbraw/zinc/32/83/13/769328313.db2.gz BGTVVBSPUWAPPE-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO Cc1conc1C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055642476 769329467 /nfs/dbraw/zinc/32/94/67/769329467.db2.gz GNXFMAZQLUEAQA-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO CC[N@H+](C)CCC(=O)NCCN1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055643112 769330860 /nfs/dbraw/zinc/33/08/60/769330860.db2.gz VOYYEFOKHVHKBD-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055643112 769330870 /nfs/dbraw/zinc/33/08/70/769330870.db2.gz VOYYEFOKHVHKBD-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000993570662 769337124 /nfs/dbraw/zinc/33/71/24/769337124.db2.gz QBPGYWRLKULQKK-NEPJUHHUSA-N 1 1 339.417 0.533 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC000993619669 769371124 /nfs/dbraw/zinc/37/11/24/769371124.db2.gz HLPRHLFWWIHRDQ-UKRRQHHQSA-N 1 1 339.403 0.663 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC000993633282 769445459 /nfs/dbraw/zinc/44/54/59/769445459.db2.gz OUADAVWZVFKPJF-TZMCWYRMSA-N 1 1 327.392 0.826 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC001042098457 782760386 /nfs/dbraw/zinc/76/03/86/782760386.db2.gz QVEPXZBOWRJICS-HOTGVXAUSA-N 1 1 335.448 0.734 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001078358164 782767472 /nfs/dbraw/zinc/76/74/72/782767472.db2.gz KMWXWWREZJLDKR-STQMWFEESA-N 1 1 338.387 0.114 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC000993822897 769685103 /nfs/dbraw/zinc/68/51/03/769685103.db2.gz ZVJVTBKUKOTTAU-HNNXBMFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC001078358868 782769700 /nfs/dbraw/zinc/76/97/00/782769700.db2.gz XRKGTMDGHNEZTL-ZFWWWQNUSA-N 1 1 348.451 0.900 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC000993842237 769737028 /nfs/dbraw/zinc/73/70/28/769737028.db2.gz HIWNRLOCIIMLEM-BETUJISGSA-N 1 1 346.435 0.278 20 30 ECEDMO CCCn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001018730627 769819069 /nfs/dbraw/zinc/81/90/69/769819069.db2.gz DOGPRZAJZCVFST-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC000993909618 769867263 /nfs/dbraw/zinc/86/72/63/769867263.db2.gz WVJLBQXTYSNNAU-TZMCWYRMSA-N 1 1 334.420 0.243 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001055832750 769897971 /nfs/dbraw/zinc/89/79/71/769897971.db2.gz QMSRTGUGZULXJT-OKILXGFUSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055836933 769915811 /nfs/dbraw/zinc/91/58/11/769915811.db2.gz HYSNJGHRNDVMRZ-MAUKXSAKSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H]1C ZINC000993993025 769975066 /nfs/dbraw/zinc/97/50/66/769975066.db2.gz YDQMOZUDSWNIGO-UONOGXRCSA-N 1 1 334.424 0.334 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001042114272 782795987 /nfs/dbraw/zinc/79/59/87/782795987.db2.gz IXGNTVBUXJRBGJ-SJORKVTESA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CN3CCOCC3)C[C@@H]21 ZINC001042114272 782795992 /nfs/dbraw/zinc/79/59/92/782795992.db2.gz IXGNTVBUXJRBGJ-SJORKVTESA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CN3CCOCC3)C[C@@H]21 ZINC001042114272 782796000 /nfs/dbraw/zinc/79/60/00/782796000.db2.gz IXGNTVBUXJRBGJ-SJORKVTESA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055911376 770182877 /nfs/dbraw/zinc/18/28/77/770182877.db2.gz ZHRKXRQTIOYWIP-CRAIPNDOSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C ZINC000994170763 770202696 /nfs/dbraw/zinc/20/26/96/770202696.db2.gz NUFBFRBICKCQGJ-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H]1C ZINC000994170874 770222098 /nfs/dbraw/zinc/22/20/98/770222098.db2.gz NZZGYIIJSDCUCD-STQMWFEESA-N 1 1 334.420 0.309 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)nn1 ZINC001055928387 770250407 /nfs/dbraw/zinc/25/04/07/770250407.db2.gz QSBUEMNMEPYGOV-AWEZNQCLSA-N 1 1 337.387 0.771 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000994197705 770287214 /nfs/dbraw/zinc/28/72/14/770287214.db2.gz KCPWONRMTWUKIS-MRXNPFEDSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000994197705 770287221 /nfs/dbraw/zinc/28/72/21/770287221.db2.gz KCPWONRMTWUKIS-MRXNPFEDSA-N 1 1 346.431 0.335 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@@H]1C ZINC000994209470 770310241 /nfs/dbraw/zinc/31/02/41/770310241.db2.gz KQKCZDCLNVTXAY-QWRGUYRKSA-N 1 1 334.376 0.502 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C ZINC000994217777 770323819 /nfs/dbraw/zinc/32/38/19/770323819.db2.gz XSWWDXYIOZZOOH-STQMWFEESA-N 1 1 344.419 0.967 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001106853905 770335834 /nfs/dbraw/zinc/33/58/34/770335834.db2.gz GOGCYCVATCPTSM-AWEZNQCLSA-N 1 1 330.436 0.903 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)C1 ZINC001018957263 770387498 /nfs/dbraw/zinc/38/74/98/770387498.db2.gz HCMVSGQPYWKJMD-ZDUSSCGKSA-N 1 1 341.415 0.513 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055966732 770392258 /nfs/dbraw/zinc/39/22/58/770392258.db2.gz KMKDBPSXQAHUCK-GPMSIDNRSA-N 1 1 349.475 0.456 20 30 ECEDMO O=[N+]([O-])c1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)o1 ZINC000916310607 770445232 /nfs/dbraw/zinc/44/52/32/770445232.db2.gz ZHJWUPCAECDPGE-UHFFFAOYSA-N 1 1 341.393 0.708 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001055986441 770455656 /nfs/dbraw/zinc/45/56/56/770455656.db2.gz GRHYDEQYLKYITH-GUYCJALGSA-N 1 1 336.436 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2noc(C3CC3)n2)C1 ZINC001018985262 770480967 /nfs/dbraw/zinc/48/09/67/770480967.db2.gz OMNPGRVAIVNYNQ-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2noc(C3CC3)n2)C1 ZINC001018985262 770480970 /nfs/dbraw/zinc/48/09/70/770480970.db2.gz OMNPGRVAIVNYNQ-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)CCOCCNc1ccncc1C#N ZINC001127412764 770524090 /nfs/dbraw/zinc/52/40/90/770524090.db2.gz ZKOKUEGLUIFUAY-UHFFFAOYSA-N 1 1 342.403 0.467 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001019010531 770562114 /nfs/dbraw/zinc/56/21/14/770562114.db2.gz VJDIMQPAYYIOKG-MRXNPFEDSA-N 1 1 329.444 0.803 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC001056020747 770577911 /nfs/dbraw/zinc/57/79/11/770577911.db2.gz XMPOSRCSZWDIRV-CQSZACIVSA-N 1 1 328.420 0.790 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)CCC)C1 ZINC001042150623 782854501 /nfs/dbraw/zinc/85/45/01/782854501.db2.gz DJCIPKHAMNCXPY-GJZGRUSLSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)CCC)C1 ZINC001042150623 782854510 /nfs/dbraw/zinc/85/45/10/782854510.db2.gz DJCIPKHAMNCXPY-GJZGRUSLSA-N 1 1 335.448 0.210 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@H]1C ZINC000994426335 770780177 /nfs/dbraw/zinc/78/01/77/770780177.db2.gz HZGMNMILLMBACX-ZIAGYGMSSA-N 1 1 326.404 0.659 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001019108748 770807358 /nfs/dbraw/zinc/80/73/58/770807358.db2.gz SPCAOZJLUJIXRJ-UONOGXRCSA-N 1 1 341.415 0.981 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCCO1)c1nncn1C ZINC001078398282 782869561 /nfs/dbraw/zinc/86/95/61/782869561.db2.gz LYQJAFYTTMKWPX-DZGCQCFKSA-N 1 1 331.420 0.497 20 30 ECEDMO CCCn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001078398748 782870789 /nfs/dbraw/zinc/87/07/89/782870789.db2.gz STMQPHUMPYBHSI-HNNXBMFYSA-N 1 1 346.435 0.204 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001060693841 770975887 /nfs/dbraw/zinc/97/58/87/770975887.db2.gz QDEWOLQFPBGFGV-LUKYLMHMSA-N 1 1 349.475 0.910 20 30 ECEDMO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001056182758 771003568 /nfs/dbraw/zinc/00/35/68/771003568.db2.gz RJHDNOKVRMTYKZ-WTTBNOFXSA-N 1 1 341.415 0.143 20 30 ECEDMO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001056182758 771003575 /nfs/dbraw/zinc/00/35/75/771003575.db2.gz RJHDNOKVRMTYKZ-WTTBNOFXSA-N 1 1 341.415 0.143 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)CC(C)(C)C1 ZINC001089408665 771088347 /nfs/dbraw/zinc/08/83/47/771088347.db2.gz DOXPIYDIFQHDAA-CVEARBPZSA-N 1 1 348.491 0.437 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001056305028 771098297 /nfs/dbraw/zinc/09/82/97/771098297.db2.gz BFLYZWNTSSALAI-CLWVCHIJSA-N 1 1 340.431 0.772 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nocc1C ZINC001078412004 782897730 /nfs/dbraw/zinc/89/77/30/782897730.db2.gz LSESVHVFDLKIFG-KBPBESRZSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nocc1C ZINC001078412004 782897736 /nfs/dbraw/zinc/89/77/36/782897736.db2.gz LSESVHVFDLKIFG-KBPBESRZSA-N 1 1 332.404 0.705 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001019318085 771147750 /nfs/dbraw/zinc/14/77/50/771147750.db2.gz USOJUJRJXGZIBV-ILXRZTDVSA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)CCNC1=O ZINC001019376966 771222863 /nfs/dbraw/zinc/22/28/63/771222863.db2.gz GUCUNHUAFGFENK-MAUKXSAKSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001077551243 771225464 /nfs/dbraw/zinc/22/54/64/771225464.db2.gz ULVZJAWEOUCTDQ-RBSFLKMASA-N 1 1 337.464 0.761 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)C1 ZINC001056406794 771235344 /nfs/dbraw/zinc/23/53/44/771235344.db2.gz FZYNOHOGSORYMK-HVOFVXBASA-N 1 1 326.404 0.241 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001056414484 771247029 /nfs/dbraw/zinc/24/70/29/771247029.db2.gz ZDOJLAGYHIGMEI-HZPDHXFCSA-N 1 1 346.431 0.986 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC(C)(C)C1 ZINC001089491876 771329858 /nfs/dbraw/zinc/32/98/58/771329858.db2.gz XDGNDBQXPYMOHW-SOUVJXGZSA-N 1 1 335.448 0.649 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CCC)C2)nn1 ZINC001019483330 771347080 /nfs/dbraw/zinc/34/70/80/771347080.db2.gz OLBKVRRAPXVWTK-ZDUSSCGKSA-N 1 1 344.423 0.470 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001060732378 771356904 /nfs/dbraw/zinc/35/69/04/771356904.db2.gz HLRSLJZAMXHMPH-BRWVUGGUSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nonc3C)C2)nn1 ZINC001019493806 771357870 /nfs/dbraw/zinc/35/78/70/771357870.db2.gz OJKPXYJGOVHXFJ-LBPRGKRZSA-N 1 1 331.380 0.550 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001060732515 771362074 /nfs/dbraw/zinc/36/20/74/771362074.db2.gz LRGDBBBUBNKMEN-LUKYLMHMSA-N 1 1 349.475 0.910 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cncc(F)c3)C2)C1=O ZINC001031610422 771438796 /nfs/dbraw/zinc/43/87/96/771438796.db2.gz JWPUXEWUTVZWIR-HNNXBMFYSA-N 1 1 332.379 0.669 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001056630489 771448920 /nfs/dbraw/zinc/44/89/20/771448920.db2.gz GKORUKHAFQULRI-JKSUJKDBSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC(C)(C)C1 ZINC001089554764 771466773 /nfs/dbraw/zinc/46/67/73/771466773.db2.gz ZHHYXDCEPWSFQK-AWEZNQCLSA-N 1 1 348.447 0.511 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)CC(C)(C)C1 ZINC001089555948 771474051 /nfs/dbraw/zinc/47/40/51/771474051.db2.gz OHAUBNKZUFOKLH-CYBMUJFWSA-N 1 1 334.420 0.168 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccnc4c3nnn4C)C[C@H]21 ZINC001042200379 782928556 /nfs/dbraw/zinc/92/85/56/782928556.db2.gz BXZOFXVWYFVJJN-DZGCQCFKSA-N 1 1 338.415 0.923 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001056679347 771505530 /nfs/dbraw/zinc/50/55/30/771505530.db2.gz MWIYPOHNVBCEDW-IXDOHACOSA-N 1 1 349.475 0.814 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)C2CCN(C(=O)[C@@H](C)C#N)CC2)C1=O ZINC001089571946 771538855 /nfs/dbraw/zinc/53/88/55/771538855.db2.gz JVPMQUXMCZQPHS-GOEBONIOSA-N 1 1 348.447 0.218 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001019590930 771556633 /nfs/dbraw/zinc/55/66/33/771556633.db2.gz SLKUBUZWFNGNIC-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3nccc(C)n3)C2)C1=O ZINC001031642484 771571758 /nfs/dbraw/zinc/57/17/58/771571758.db2.gz OLKHLFIEERBWMD-AWEZNQCLSA-N 1 1 329.404 0.234 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001056760547 771601934 /nfs/dbraw/zinc/60/19/34/771601934.db2.gz BBBPJKDWNARWES-UKRRQHHQSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001056760547 771601937 /nfs/dbraw/zinc/60/19/37/771601937.db2.gz BBBPJKDWNARWES-UKRRQHHQSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001056760546 771601950 /nfs/dbraw/zinc/60/19/50/771601950.db2.gz BBBPJKDWNARWES-HIFRSBDPSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001056760546 771601952 /nfs/dbraw/zinc/60/19/52/771601952.db2.gz BBBPJKDWNARWES-HIFRSBDPSA-N 1 1 344.419 0.470 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)c1 ZINC001042211974 782946632 /nfs/dbraw/zinc/94/66/32/782946632.db2.gz XKSNWUIJBOUXLM-WFASDCNBSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)c1 ZINC001042211974 782946636 /nfs/dbraw/zinc/94/66/36/782946636.db2.gz XKSNWUIJBOUXLM-WFASDCNBSA-N 1 1 330.363 0.605 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnnn3C)C2)cn1 ZINC001019675716 771703676 /nfs/dbraw/zinc/70/36/76/771703676.db2.gz ZXVCPJTXEGZVGL-RISCZKNCSA-N 1 1 325.376 0.152 20 30 ECEDMO CN(c1ccncc1C#N)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001056880259 771757466 /nfs/dbraw/zinc/75/74/66/771757466.db2.gz YXGJOSXINLCMCI-GOEBONIOSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ccncc1C#N)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001056880259 771757469 /nfs/dbraw/zinc/75/74/69/771757469.db2.gz YXGJOSXINLCMCI-GOEBONIOSA-N 1 1 329.404 0.321 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001078439195 782952574 /nfs/dbraw/zinc/95/25/74/782952574.db2.gz JSGOSBDKGVNNTL-ZDUSSCGKSA-N 1 1 336.440 0.520 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@H]21 ZINC001042234526 782964436 /nfs/dbraw/zinc/96/44/36/782964436.db2.gz MVDCTRYIZCJZMT-GDBMZVCRSA-N 1 1 342.443 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C=C(\C)C1CC1 ZINC001057102482 772085189 /nfs/dbraw/zinc/08/51/89/772085189.db2.gz GNKOGFGESSJRGI-ZWKQNVPVSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C=C(\C)C1CC1 ZINC001057102482 772085193 /nfs/dbraw/zinc/08/51/93/772085193.db2.gz GNKOGFGESSJRGI-ZWKQNVPVSA-N 1 1 347.459 0.377 20 30 ECEDMO Cc1ccc(C#N)c(N2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001057115318 772108625 /nfs/dbraw/zinc/10/86/25/772108625.db2.gz MUXUONJTRJKHKK-INIZCTEOSA-N 1 1 343.431 0.631 20 30 ECEDMO Cc1ccc(C#N)c(N2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001057115318 772108627 /nfs/dbraw/zinc/10/86/27/772108627.db2.gz MUXUONJTRJKHKK-INIZCTEOSA-N 1 1 343.431 0.631 20 30 ECEDMO Cc1cc(C#N)nc(N2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001057142145 772155523 /nfs/dbraw/zinc/15/55/23/772155523.db2.gz PXXQWSVLGVXVNG-CQSZACIVSA-N 1 1 328.420 0.647 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001057146791 772165226 /nfs/dbraw/zinc/16/52/26/772165226.db2.gz OGAJSOLGUWAVML-INIZCTEOSA-N 1 1 343.431 0.713 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001057146791 772165229 /nfs/dbraw/zinc/16/52/29/772165229.db2.gz OGAJSOLGUWAVML-INIZCTEOSA-N 1 1 343.431 0.713 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnn(C)n3)C2)C1 ZINC001078464563 782995618 /nfs/dbraw/zinc/99/56/18/782995618.db2.gz ANRXXKJBXLHMGU-HNNXBMFYSA-N 1 1 333.436 0.879 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001057210751 772284023 /nfs/dbraw/zinc/28/40/23/772284023.db2.gz RFHBQYPHZFXKLQ-LSDHHAIUSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2coc(C)n2)[C@H]1C ZINC001020209179 772285015 /nfs/dbraw/zinc/28/50/15/772285015.db2.gz JUWWAOHVYSHVTC-NOLJZWGESA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2coc(C)n2)[C@H]1C ZINC001020209179 772285017 /nfs/dbraw/zinc/28/50/17/772285017.db2.gz JUWWAOHVYSHVTC-NOLJZWGESA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](OC)C2CC2)[C@H]1C ZINC001020223803 772309799 /nfs/dbraw/zinc/30/97/99/772309799.db2.gz CEHGULDRLGYZFN-HJWJTTGWSA-N 1 1 347.459 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](OC)C2CC2)[C@H]1C ZINC001020223803 772309805 /nfs/dbraw/zinc/30/98/05/772309805.db2.gz CEHGULDRLGYZFN-HJWJTTGWSA-N 1 1 347.459 0.615 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057235025 772319551 /nfs/dbraw/zinc/31/95/51/772319551.db2.gz YSLRHQMLVPNBKY-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H](C)c2noc(C)n2)C1 ZINC001020250530 772350725 /nfs/dbraw/zinc/35/07/25/772350725.db2.gz HOXPLEKKJUBDDU-NGFQHRJXSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H](C)c2noc(C)n2)C1 ZINC001020250530 772350731 /nfs/dbraw/zinc/35/07/31/772350731.db2.gz HOXPLEKKJUBDDU-NGFQHRJXSA-N 1 1 331.420 0.773 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(c3ccc(C#N)nc3)CC2)O1 ZINC001057255141 772351535 /nfs/dbraw/zinc/35/15/35/772351535.db2.gz VLKGUGAHAWANEO-RHSMWYFYSA-N 1 1 343.431 0.711 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(c3ccc(C#N)nc3)CC2)O1 ZINC001057255141 772351545 /nfs/dbraw/zinc/35/15/45/772351545.db2.gz VLKGUGAHAWANEO-RHSMWYFYSA-N 1 1 343.431 0.711 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001020271370 772379507 /nfs/dbraw/zinc/37/95/07/772379507.db2.gz QINXZKIUULDZTR-UBHSHLNASA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)c3[nH]nc4c3CCC4)C2)C1=O ZINC001020345270 772474340 /nfs/dbraw/zinc/47/43/40/772474340.db2.gz TZORNQYYFWRYGI-LALPHHSUSA-N 1 1 343.431 0.536 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057446476 772623307 /nfs/dbraw/zinc/62/33/07/772623307.db2.gz DJOXPHDDXVOIOM-IRXDYDNUSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001057447064 772624503 /nfs/dbraw/zinc/62/45/03/772624503.db2.gz OEIVCXQTWQQZPL-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@H](C)CC ZINC001057447585 772625523 /nfs/dbraw/zinc/62/55/23/772625523.db2.gz BVNRLSNRDCMXHH-CVEARBPZSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@H](C)CC ZINC001057447585 772625525 /nfs/dbraw/zinc/62/55/25/772625525.db2.gz BVNRLSNRDCMXHH-CVEARBPZSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CC(C)(C)C1 ZINC001057488406 772677237 /nfs/dbraw/zinc/67/72/37/772677237.db2.gz UNRZNIJGSURXPI-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CC(C)(C)C1 ZINC001057488406 772677240 /nfs/dbraw/zinc/67/72/40/772677240.db2.gz UNRZNIJGSURXPI-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057533001 772728123 /nfs/dbraw/zinc/72/81/23/772728123.db2.gz GJXGRJYWKNWTTA-IAGOWNOFSA-N 1 1 347.459 0.211 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057635941 772842452 /nfs/dbraw/zinc/84/24/52/772842452.db2.gz LDNBNJNHTFSIDA-AWEZNQCLSA-N 1 1 325.453 0.478 20 30 ECEDMO C=C1CCC(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001057636028 772843269 /nfs/dbraw/zinc/84/32/69/772843269.db2.gz LWHFULHUHNDNJX-MRXNPFEDSA-N 1 1 337.464 0.622 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057775496 772975964 /nfs/dbraw/zinc/97/59/64/772975964.db2.gz VSPFAIDLVVSVPR-UONOGXRCSA-N 1 1 328.420 0.657 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001057806809 773005849 /nfs/dbraw/zinc/00/58/49/773005849.db2.gz SCRQXVLGDYCFSI-OAHLLOKOSA-N 1 1 325.453 0.622 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057812146 773015189 /nfs/dbraw/zinc/01/51/89/773015189.db2.gz VDUXFBDTQIESCN-ZFWWWQNUSA-N 1 1 342.447 0.879 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001057823005 773033788 /nfs/dbraw/zinc/03/37/88/773033788.db2.gz LKGRWDQYWOLBPK-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001057848640 773068844 /nfs/dbraw/zinc/06/88/44/773068844.db2.gz WIAHRMNTXYNJCC-OAHLLOKOSA-N 1 1 328.420 0.836 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)C1 ZINC001057873533 773106798 /nfs/dbraw/zinc/10/67/98/773106798.db2.gz CVUQVOWYCZNJKQ-CABCVRRESA-N 1 1 338.452 0.061 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057877471 773117615 /nfs/dbraw/zinc/11/76/15/773117615.db2.gz SMTKWXSYQGLFLO-OAHLLOKOSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057877471 773117618 /nfs/dbraw/zinc/11/76/18/773117618.db2.gz SMTKWXSYQGLFLO-OAHLLOKOSA-N 1 1 344.419 0.154 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CCC ZINC001057921351 773187526 /nfs/dbraw/zinc/18/75/26/773187526.db2.gz FZRDUDHSOIOQLH-OAHLLOKOSA-N 1 1 343.468 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(C)(C)CC=C ZINC001057962277 773294680 /nfs/dbraw/zinc/29/46/80/773294680.db2.gz PIONFGGISJULNT-INIZCTEOSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(C)(C)CC=C ZINC001057962277 773294686 /nfs/dbraw/zinc/29/46/86/773294686.db2.gz PIONFGGISJULNT-INIZCTEOSA-N 1 1 349.475 0.623 20 30 ECEDMO Cc1nsc(N2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001058134966 773605141 /nfs/dbraw/zinc/60/51/41/773605141.db2.gz SVPYSZJSCCWIFJ-TZMCWYRMSA-N 1 1 349.460 0.739 20 30 ECEDMO Cc1nsc(N2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001058134966 773605147 /nfs/dbraw/zinc/60/51/47/773605147.db2.gz SVPYSZJSCCWIFJ-TZMCWYRMSA-N 1 1 349.460 0.739 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058211818 773782465 /nfs/dbraw/zinc/78/24/65/773782465.db2.gz PYZAIEPRYVXMEE-ZDUSSCGKSA-N 1 1 325.376 0.638 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058241619 773828672 /nfs/dbraw/zinc/82/86/72/773828672.db2.gz VJODGCHVKZMDHC-UONOGXRCSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058241268 773828700 /nfs/dbraw/zinc/82/87/00/773828700.db2.gz MWUJXFBZZXAPJO-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058241046 773829502 /nfs/dbraw/zinc/82/95/02/773829502.db2.gz HCBHTWJZTIRZFE-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058241665 773830308 /nfs/dbraw/zinc/83/03/08/773830308.db2.gz WSKOEGGXIFEIEM-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058264223 773875478 /nfs/dbraw/zinc/87/54/78/773875478.db2.gz QMUIZHFBZKGWKL-HOCLYGCPSA-N 1 1 338.415 0.531 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058264223 773875484 /nfs/dbraw/zinc/87/54/84/773875484.db2.gz QMUIZHFBZKGWKL-HOCLYGCPSA-N 1 1 338.415 0.531 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)O1 ZINC001058263858 773875580 /nfs/dbraw/zinc/87/55/80/773875580.db2.gz BSKRJGPBMSFTNE-VNHYZAJKSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)O1 ZINC001058263858 773875585 /nfs/dbraw/zinc/87/55/85/773875585.db2.gz BSKRJGPBMSFTNE-VNHYZAJKSA-N 1 1 344.419 0.152 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058265838 773879847 /nfs/dbraw/zinc/87/98/47/773879847.db2.gz UORYQYZBXCASHI-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CCCCCCC(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001058307688 773945929 /nfs/dbraw/zinc/94/59/29/773945929.db2.gz TXTBIQLJVVAHGI-UHFFFAOYSA-N 1 1 339.480 0.849 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001058314576 773955881 /nfs/dbraw/zinc/95/58/81/773955881.db2.gz MCROQZPYERIVQS-TZMCWYRMSA-N 1 1 328.420 0.700 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)c(C)n3)C2)C1 ZINC001058376024 774059068 /nfs/dbraw/zinc/05/90/68/774059068.db2.gz CFLYIABZVLTMNL-CVEARBPZSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)c(C)n3)C2)C1 ZINC001058376024 774059069 /nfs/dbraw/zinc/05/90/69/774059069.db2.gz CFLYIABZVLTMNL-CVEARBPZSA-N 1 1 343.431 0.677 20 30 ECEDMO C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039819210 783148061 /nfs/dbraw/zinc/14/80/61/783148061.db2.gz NEBBDRGMHMFAOO-RDTXWAMCSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001058434998 774173496 /nfs/dbraw/zinc/17/34/96/774173496.db2.gz BZKNITUENRYULV-GJZGRUSLSA-N 1 1 327.469 0.724 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)no1 ZINC001058484574 774279183 /nfs/dbraw/zinc/27/91/83/774279183.db2.gz WCXIYRLDJYFDGS-NSHDSACASA-N 1 1 341.375 0.407 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001058516683 774344394 /nfs/dbraw/zinc/34/43/94/774344394.db2.gz QIRCOYMXNZGXFY-HIFRSBDPSA-N 1 1 328.420 0.836 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)C1 ZINC001058543298 774400158 /nfs/dbraw/zinc/40/01/58/774400158.db2.gz PWVAFWRXPQBTLM-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058582911 774475264 /nfs/dbraw/zinc/47/52/64/774475264.db2.gz VFVUAXWANYRVLW-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1csnn1 ZINC001045073337 774935427 /nfs/dbraw/zinc/93/54/27/774935427.db2.gz CPACFKLVDRIUHL-GJZGRUSLSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1csnn1 ZINC001045073337 774935433 /nfs/dbraw/zinc/93/54/33/774935433.db2.gz CPACFKLVDRIUHL-GJZGRUSLSA-N 1 1 333.461 0.716 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001043888582 775220822 /nfs/dbraw/zinc/22/08/22/775220822.db2.gz FMOUYCDJLUVDTG-UHFFFAOYSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3nc[nH]c32)[C@@H](n2ccnn2)C1 ZINC001070023295 790357371 /nfs/dbraw/zinc/35/73/71/790357371.db2.gz KZVIEVWPUNOJMO-CFVMTHIKSA-N 1 1 341.419 0.649 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3nc[nH]c32)[C@@H](n2ccnn2)C1 ZINC001070023295 790357383 /nfs/dbraw/zinc/35/73/83/790357383.db2.gz KZVIEVWPUNOJMO-CFVMTHIKSA-N 1 1 341.419 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](CC)CCC)C1 ZINC001045346933 775459894 /nfs/dbraw/zinc/45/98/94/775459894.db2.gz JXNDWEQLQZKBTG-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](CC)CCC)C1 ZINC001045346933 775459904 /nfs/dbraw/zinc/45/99/04/775459904.db2.gz JXNDWEQLQZKBTG-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 ZINC001045559587 775800660 /nfs/dbraw/zinc/80/06/60/775800660.db2.gz MOWKRGPQEPQJHA-CHWSQXEVSA-N 1 1 347.419 0.246 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O ZINC001044191439 775888178 /nfs/dbraw/zinc/88/81/78/775888178.db2.gz MELJZLWTFCQPET-PVAVHDDUSA-N 1 1 343.431 0.492 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001045638843 775944210 /nfs/dbraw/zinc/94/42/10/775944210.db2.gz MXTGFBYYGMSTKU-UHFFFAOYSA-N 1 1 340.811 0.823 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)CC[N@H+](C)CC)C2)cc1 ZINC001044363197 776218786 /nfs/dbraw/zinc/21/87/86/776218786.db2.gz ASPDFLNRWYWYAT-UHFFFAOYSA-N 1 1 343.427 0.313 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044469851 776330020 /nfs/dbraw/zinc/33/00/20/776330020.db2.gz GXXMPQZJKFXSLD-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cncc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001070045602 790439203 /nfs/dbraw/zinc/43/92/03/790439203.db2.gz KDMVCGSSOZACTR-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2(C)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070054162 790462533 /nfs/dbraw/zinc/46/25/33/790462533.db2.gz KGOALQJEXKXQEZ-CABCVRRESA-N 1 1 331.420 0.460 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](OC)C2CC2)C1 ZINC001079702053 776724873 /nfs/dbraw/zinc/72/48/73/776724873.db2.gz ULSUKSDTFOUCGU-IRXDYDNUSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](OC)C2CC2)C1 ZINC001079702053 776724877 /nfs/dbraw/zinc/72/48/77/776724877.db2.gz ULSUKSDTFOUCGU-IRXDYDNUSA-N 1 1 347.459 0.568 20 30 ECEDMO CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001079733084 776773644 /nfs/dbraw/zinc/77/36/44/776773644.db2.gz UGCVLZFOFMWJCA-KRWDZBQOSA-N 1 1 349.475 0.814 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001079773271 776841174 /nfs/dbraw/zinc/84/11/74/776841174.db2.gz DYALTGQVUNNQFL-HNNXBMFYSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001079774413 776845082 /nfs/dbraw/zinc/84/50/82/776845082.db2.gz CFEFCOCIJUHTMF-HUUCEWRRSA-N 1 1 335.448 0.426 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001079981431 777187968 /nfs/dbraw/zinc/18/79/68/777187968.db2.gz RAATZPXYWHAMMN-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3cccnc23)[C@@H](n2ccnn2)C1 ZINC001070075127 790517609 /nfs/dbraw/zinc/51/76/09/790517609.db2.gz RVMYPCSUUZOYIK-CVEARBPZSA-N 1 1 349.398 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](C)OCC=C)C1 ZINC001080008943 777220718 /nfs/dbraw/zinc/22/07/18/777220718.db2.gz JWQIRACRKCUYLT-WBVHZDCISA-N 1 1 347.459 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](C)OCC=C)C1 ZINC001080008943 777220727 /nfs/dbraw/zinc/22/07/27/777220727.db2.gz JWQIRACRKCUYLT-WBVHZDCISA-N 1 1 347.459 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCCC(C)=O)C1 ZINC001080009048 777221503 /nfs/dbraw/zinc/22/15/03/777221503.db2.gz NTSMXTUHVWIAIY-KRWDZBQOSA-N 1 1 347.459 0.903 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCCC(C)=O)C1 ZINC001080009048 777221508 /nfs/dbraw/zinc/22/15/08/777221508.db2.gz NTSMXTUHVWIAIY-KRWDZBQOSA-N 1 1 347.459 0.903 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001080033784 777274625 /nfs/dbraw/zinc/27/46/25/777274625.db2.gz ZDDBLIPVRQOHDT-GDBMZVCRSA-N 1 1 331.416 0.568 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001080051269 777305539 /nfs/dbraw/zinc/30/55/39/777305539.db2.gz QPLZYCDYXCSBEA-CRAIPNDOSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001080195983 777536114 /nfs/dbraw/zinc/53/61/14/777536114.db2.gz BZTUTYDGISSWFQ-MCIONIFRSA-N 1 1 331.407 0.965 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001080256482 777616876 /nfs/dbraw/zinc/61/68/76/777616876.db2.gz RYJPNBYMSKFHSL-HUUCEWRRSA-N 1 1 330.436 0.792 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001043091081 777709083 /nfs/dbraw/zinc/70/90/83/777709083.db2.gz OVRGOXHBJVPVAL-UHFFFAOYSA-N 1 1 346.431 0.355 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2C)C1 ZINC001080404648 777803221 /nfs/dbraw/zinc/80/32/21/777803221.db2.gz RUQKAPLRQVZOIX-CHWSQXEVSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCOCC1 ZINC001070091751 790572641 /nfs/dbraw/zinc/57/26/41/790572641.db2.gz CQDBHZSAMHRPIT-HZPDHXFCSA-N 1 1 349.475 0.769 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458678 777891222 /nfs/dbraw/zinc/89/12/22/777891222.db2.gz DXTIAAYBEQRDQH-HPAJIGNASA-N 1 1 344.390 0.755 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458678 777891228 /nfs/dbraw/zinc/89/12/28/777891228.db2.gz DXTIAAYBEQRDQH-HPAJIGNASA-N 1 1 344.390 0.755 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043202584 777947810 /nfs/dbraw/zinc/94/78/10/777947810.db2.gz PMPHUNCKSBAUBG-GFCCVEGCSA-N 1 1 343.855 0.406 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001043211389 777973749 /nfs/dbraw/zinc/97/37/49/777973749.db2.gz FSBIROZZPMUITA-BPLDGKMQSA-N 1 1 344.419 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001043211389 777973757 /nfs/dbraw/zinc/97/37/57/777973757.db2.gz FSBIROZZPMUITA-BPLDGKMQSA-N 1 1 344.419 0.328 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070092255 790575255 /nfs/dbraw/zinc/57/52/55/790575255.db2.gz SHNMJUBBSKSNCH-MRXNPFEDSA-N 1 1 349.475 0.913 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2C)nn1 ZINC001080578999 778084153 /nfs/dbraw/zinc/08/41/53/778084153.db2.gz JMBGMUHBINIOJL-UKRRQHHQSA-N 1 1 343.435 0.490 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)C#CC1CC1)O2 ZINC001068571686 790602290 /nfs/dbraw/zinc/60/22/90/790602290.db2.gz SOGZQBNCQVLYMH-MRXNPFEDSA-N 1 1 347.459 0.616 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098831 790600515 /nfs/dbraw/zinc/60/05/15/790600515.db2.gz VIEUXDRBDVXWKG-CVEARBPZSA-N 1 1 332.452 0.682 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CCC1 ZINC001043352567 778210475 /nfs/dbraw/zinc/21/04/75/778210475.db2.gz LCYBJIMDSOMXOK-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001068574362 790610672 /nfs/dbraw/zinc/61/06/72/790610672.db2.gz KBNALDRMFGBPJY-AJNGGQMLSA-N 1 1 342.447 0.807 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)C3CCC3)C2)CCC1 ZINC001043530328 778478416 /nfs/dbraw/zinc/47/84/16/778478416.db2.gz JNLKZMYVXMCRGC-UHFFFAOYSA-N 1 1 349.475 0.907 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)O2 ZINC001068587912 790642781 /nfs/dbraw/zinc/64/27/81/790642781.db2.gz YZMPHORJBJUGLE-INIZCTEOSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]21 ZINC001042312808 780053778 /nfs/dbraw/zinc/05/37/78/780053778.db2.gz QDGBYODFXYYFTO-WDEREUQCSA-N 1 1 334.376 0.619 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@H]21 ZINC001042313437 780056288 /nfs/dbraw/zinc/05/62/88/780056288.db2.gz UFXWIACHZBOIDH-DZGCQCFKSA-N 1 1 339.399 0.995 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C(=O)NC)nc3)C[C@@H]21 ZINC001042317452 780061747 /nfs/dbraw/zinc/06/17/47/780061747.db2.gz YIPMUVATKCRUFG-BBRMVZONSA-N 1 1 326.400 0.611 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1OCC[C@H]1C ZINC001078522010 780079449 /nfs/dbraw/zinc/07/94/49/780079449.db2.gz CDXSSSMSBXFFOH-UGUYLWEFSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1OCC[C@H]1C ZINC001078522010 780079459 /nfs/dbraw/zinc/07/94/59/780079459.db2.gz CDXSSSMSBXFFOH-UGUYLWEFSA-N 1 1 335.448 0.520 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 ZINC001042333014 780087742 /nfs/dbraw/zinc/08/77/42/780087742.db2.gz MPUGMKZBCWSBBN-HUUCEWRRSA-N 1 1 333.436 0.389 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@@H]21 ZINC001042333859 780088710 /nfs/dbraw/zinc/08/87/10/780088710.db2.gz QOYMGOLWETUPLE-CABCVRRESA-N 1 1 338.415 0.911 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 ZINC001042345448 780109132 /nfs/dbraw/zinc/10/91/32/780109132.db2.gz LMDJIRNIYABRAK-KBPBESRZSA-N 1 1 334.420 0.379 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(CC(=O)NC)[C@@H]3C2)CC1 ZINC001042368533 780156160 /nfs/dbraw/zinc/15/61/60/780156160.db2.gz QWRPONBJLJOUGR-NVXWUHKLSA-N 1 1 346.475 0.000 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[C@@H]([NH2+]Cc3cnon3)C23CCC3)nn1 ZINC001078743950 780423036 /nfs/dbraw/zinc/42/30/36/780423036.db2.gz LARXBPNASBYCFQ-ZIAGYGMSSA-N 1 1 343.391 0.678 20 30 ECEDMO C=C(Br)CN1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042573876 780467981 /nfs/dbraw/zinc/46/79/81/780467981.db2.gz WPAHYWCRIVLWSC-LBPRGKRZSA-N 1 1 332.242 0.368 20 30 ECEDMO C=C(Br)CN1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042573876 780467987 /nfs/dbraw/zinc/46/79/87/780467987.db2.gz WPAHYWCRIVLWSC-LBPRGKRZSA-N 1 1 332.242 0.368 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC3(CCN(CC#N)CC3)[C@H]3COC[C@H]32)C1 ZINC001079270281 780946000 /nfs/dbraw/zinc/94/60/00/780946000.db2.gz KUXIEFJZWQEEBQ-IXDOHACOSA-N 1 1 346.475 0.791 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCCOCC)C1 ZINC001079374055 781043158 /nfs/dbraw/zinc/04/31/58/781043158.db2.gz WRIWPIBQMZUKSB-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCCOCC)C1 ZINC001079374055 781043165 /nfs/dbraw/zinc/04/31/65/781043165.db2.gz WRIWPIBQMZUKSB-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001079383288 781055345 /nfs/dbraw/zinc/05/53/45/781055345.db2.gz MITQCZGXRVRHHJ-MGPQQGTHSA-N 1 1 335.404 0.098 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001079383288 781055352 /nfs/dbraw/zinc/05/53/52/781055352.db2.gz MITQCZGXRVRHHJ-MGPQQGTHSA-N 1 1 335.404 0.098 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001042941529 781074143 /nfs/dbraw/zinc/07/41/43/781074143.db2.gz NMYOHQLEADOODO-CVEARBPZSA-N 1 1 347.459 0.352 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)C1 ZINC001042942937 781077217 /nfs/dbraw/zinc/07/72/17/781077217.db2.gz GWMULJSOYVLALU-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCn2nc(C)cc2C)C1 ZINC001042960267 781102386 /nfs/dbraw/zinc/10/23/86/781102386.db2.gz MQNDANQLWVBNCI-SFHVURJKSA-N 1 1 343.475 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCn2nc(C)cc2C)C1 ZINC001042960267 781102391 /nfs/dbraw/zinc/10/23/91/781102391.db2.gz MQNDANQLWVBNCI-SFHVURJKSA-N 1 1 343.475 0.740 20 30 ECEDMO CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001042977187 781127848 /nfs/dbraw/zinc/12/78/48/781127848.db2.gz GYONNFCAVGAQOG-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001043011733 781177849 /nfs/dbraw/zinc/17/78/49/781177849.db2.gz QSQXSGIMUYIGRY-BASLNEPJSA-N 1 1 343.431 0.613 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001079499622 781190540 /nfs/dbraw/zinc/19/05/40/781190540.db2.gz QPYWHSJHMGDXCA-WQVCFCJDSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001079499622 781190545 /nfs/dbraw/zinc/19/05/45/781190545.db2.gz QPYWHSJHMGDXCA-WQVCFCJDSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043059868 781256483 /nfs/dbraw/zinc/25/64/83/781256483.db2.gz NAZNESRPHQPDNR-GJZGRUSLSA-N 1 1 349.475 0.763 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079590120 781292251 /nfs/dbraw/zinc/29/22/51/781292251.db2.gz WKYAXBDMEUJWDB-CZUORRHYSA-N 1 1 348.472 0.888 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079590120 781292256 /nfs/dbraw/zinc/29/22/56/781292256.db2.gz WKYAXBDMEUJWDB-CZUORRHYSA-N 1 1 348.472 0.888 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592455 781295717 /nfs/dbraw/zinc/29/57/17/781295717.db2.gz HKCHOBBSROJUQX-DAXOMENPSA-N 1 1 342.403 0.194 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2O)CC1 ZINC001077622486 781369500 /nfs/dbraw/zinc/36/95/00/781369500.db2.gz LVLXBJRVIHHWNC-IAGOWNOFSA-N 1 1 332.448 0.870 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)nc1 ZINC001077632458 781388002 /nfs/dbraw/zinc/38/80/02/781388002.db2.gz RODWRIYXEHPHAS-DZGCQCFKSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CC[N@H+](C)CCC ZINC001077658379 781442807 /nfs/dbraw/zinc/44/28/07/781442807.db2.gz WYIVYOUEOVXIPU-GJZGRUSLSA-N 1 1 325.453 0.768 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC001041409299 781449779 /nfs/dbraw/zinc/44/97/79/781449779.db2.gz XLVMKRBBVYAIFG-GOSISDBHSA-N 1 1 328.416 0.833 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O ZINC001077676720 781484362 /nfs/dbraw/zinc/48/43/62/781484362.db2.gz GYMJDSNQNNZRQL-APHBMKBZSA-N 1 1 348.472 0.765 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001077707659 781557558 /nfs/dbraw/zinc/55/75/58/781557558.db2.gz UUWLMWCRZVNZME-ZIAGYGMSSA-N 1 1 334.420 0.092 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001077754627 781648889 /nfs/dbraw/zinc/64/88/89/781648889.db2.gz KKQRTILJBFWPTG-CHWSQXEVSA-N 1 1 336.367 0.667 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001077754627 781648894 /nfs/dbraw/zinc/64/88/94/781648894.db2.gz KKQRTILJBFWPTG-CHWSQXEVSA-N 1 1 336.367 0.667 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C2)C1 ZINC001041527269 781702319 /nfs/dbraw/zinc/70/23/19/781702319.db2.gz JPTCLCSFFVOEKS-LJQANCHMSA-N 1 1 342.443 0.958 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](CC)OC)C[C@H]2O)cc1 ZINC001077797920 781712903 /nfs/dbraw/zinc/71/29/03/781712903.db2.gz PHAHCUUAJJIVBW-KBAYOESNSA-N 1 1 346.427 0.899 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2O)nn1 ZINC001077801453 781721990 /nfs/dbraw/zinc/72/19/90/781721990.db2.gz SEWKEOADFJKWRP-DGCLKSJQSA-N 1 1 341.362 0.284 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(c2ccc(C#N)nc2)CCCO1 ZINC001039908031 783258187 /nfs/dbraw/zinc/25/81/87/783258187.db2.gz OQEYDIMXFGWSOX-IRXDYDNUSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001040728100 783339021 /nfs/dbraw/zinc/33/90/21/783339021.db2.gz WPYYYSCNHKFQET-YJBOKZPZSA-N 1 1 337.464 0.764 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001040760589 783379574 /nfs/dbraw/zinc/37/95/74/783379574.db2.gz OTUFMNVKNBZWCB-DYVFJYSZSA-N 1 1 338.452 0.204 20 30 ECEDMO C=CCCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040811209 783484715 /nfs/dbraw/zinc/48/47/15/783484715.db2.gz BHNZXSVXYKERIC-KXBFYZLASA-N 1 1 349.475 0.764 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001040098749 783537528 /nfs/dbraw/zinc/53/75/28/783537528.db2.gz DYOFBKZUGPEGOE-SFHVURJKSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001070165047 783577812 /nfs/dbraw/zinc/57/78/12/783577812.db2.gz ZJMBCMISULOSOX-OLZOCXBDSA-N 1 1 335.799 0.338 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1 ZINC001070176678 783602286 /nfs/dbraw/zinc/60/22/86/783602286.db2.gz NATCTEKIRVOYMQ-YPMHNXCESA-N 1 1 335.799 0.419 20 30 ECEDMO CC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001037841072 783632374 /nfs/dbraw/zinc/63/23/74/783632374.db2.gz OKECRQYBWQQIBU-FZMZJTMJSA-N 1 1 342.407 0.440 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001070194951 783633582 /nfs/dbraw/zinc/63/35/82/783633582.db2.gz WCMXRZCDNJDCGT-ZNMIVQPWSA-N 1 1 341.419 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C)CCOCC1 ZINC001070202566 783648469 /nfs/dbraw/zinc/64/84/69/783648469.db2.gz VRFWRXSPDWIPNX-JYJNAYRXSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C)CCOCC1 ZINC001070202566 783648474 /nfs/dbraw/zinc/64/84/74/783648474.db2.gz VRFWRXSPDWIPNX-JYJNAYRXSA-N 1 1 347.459 0.522 20 30 ECEDMO CC#CCCCC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070207351 783658026 /nfs/dbraw/zinc/65/80/26/783658026.db2.gz SYGZNCCHDMWKNT-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001070233128 783709319 /nfs/dbraw/zinc/70/93/19/783709319.db2.gz ZXCKOEMMOZAXON-ZIAGYGMSSA-N 1 1 336.436 0.269 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070289490 783794728 /nfs/dbraw/zinc/79/47/28/783794728.db2.gz FLHKHLDVTDHTJW-ZACQAIPSSA-N 1 1 344.463 0.516 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070289490 783794734 /nfs/dbraw/zinc/79/47/34/783794734.db2.gz FLHKHLDVTDHTJW-ZACQAIPSSA-N 1 1 344.463 0.516 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2COCCO2)cc1 ZINC001038059370 783806444 /nfs/dbraw/zinc/80/64/44/783806444.db2.gz UPNPQPCMYVXKBL-NVXWUHKLSA-N 1 1 345.399 0.695 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2COCCO2)cc1 ZINC001038059370 783806447 /nfs/dbraw/zinc/80/64/47/783806447.db2.gz UPNPQPCMYVXKBL-NVXWUHKLSA-N 1 1 345.399 0.695 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@@H]1n1ccnn1 ZINC001070312121 783817301 /nfs/dbraw/zinc/81/73/01/783817301.db2.gz ACQYZNQSIQCCQT-ZBFHGGJFSA-N 1 1 339.403 0.028 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(n3ncc4c3CN(CC#N)C4)CC2)C1 ZINC001070351014 783859546 /nfs/dbraw/zinc/85/95/46/783859546.db2.gz CFXROAIQHSQMEV-AWEZNQCLSA-N 1 1 342.447 0.837 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1 ZINC001070367042 783901548 /nfs/dbraw/zinc/90/15/48/783901548.db2.gz AWDKSKORPDVNCM-INMHGKMJSA-N 1 1 347.463 0.080 20 30 ECEDMO Cn1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1=O ZINC001038169292 783944323 /nfs/dbraw/zinc/94/43/23/783944323.db2.gz NFPRVYZFZILAEZ-AWEZNQCLSA-N 1 1 325.372 0.589 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1=O ZINC001038169292 783944327 /nfs/dbraw/zinc/94/43/27/783944327.db2.gz NFPRVYZFZILAEZ-AWEZNQCLSA-N 1 1 325.372 0.589 20 30 ECEDMO COCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001070402512 783975219 /nfs/dbraw/zinc/97/52/19/783975219.db2.gz BJUOMGUZFCEFOK-CYBMUJFWSA-N 1 1 342.403 0.975 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(OC)no2)C1 ZINC001070404980 783983349 /nfs/dbraw/zinc/98/33/49/783983349.db2.gz WAXOKRJWGWSDTA-LLVKDONJSA-N 1 1 329.360 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc3n(n2)CCC3)C1 ZINC001070411727 784001312 /nfs/dbraw/zinc/00/13/12/784001312.db2.gz XHOSTMMTLYKOMW-CYBMUJFWSA-N 1 1 338.415 0.905 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001070412534 784005094 /nfs/dbraw/zinc/00/50/94/784005094.db2.gz CAHRQNJQZOAPEZ-TZMCWYRMSA-N 1 1 329.404 0.117 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001070413141 784008158 /nfs/dbraw/zinc/00/81/58/784008158.db2.gz UNYMTJKSKVKHSQ-XEZPLFJOSA-N 1 1 334.420 0.805 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001070418628 784023477 /nfs/dbraw/zinc/02/34/77/784023477.db2.gz TZPJCMJPVIJOKU-KGLIPLIRSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(CC=C)nn2)C1 ZINC001070427651 784044726 /nfs/dbraw/zinc/04/47/26/784044726.db2.gz AEPLVBRHUGEBQV-ZDUSSCGKSA-N 1 1 339.403 0.540 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C(C)C)nn2)C1 ZINC001070431538 784053423 /nfs/dbraw/zinc/05/34/23/784053423.db2.gz XYEABZOFIDVZQX-ZDUSSCGKSA-N 1 1 341.419 0.935 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cccn(C)c2=O)C1 ZINC001070432550 784057071 /nfs/dbraw/zinc/05/70/71/784057071.db2.gz KAMZNCKDKACJFB-CYBMUJFWSA-N 1 1 339.399 0.461 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001070432951 784058749 /nfs/dbraw/zinc/05/87/49/784058749.db2.gz WFCCVLOYAQGUIL-OCCSQVGLSA-N 1 1 331.420 0.670 20 30 ECEDMO CC#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070433798 784059319 /nfs/dbraw/zinc/05/93/19/784059319.db2.gz DRYPLDBOZUYHIE-GJZGRUSLSA-N 1 1 329.448 0.790 20 30 ECEDMO CC#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070433798 784059329 /nfs/dbraw/zinc/05/93/29/784059329.db2.gz DRYPLDBOZUYHIE-GJZGRUSLSA-N 1 1 329.448 0.790 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCO)C2)nc1 ZINC001070433041 784060178 /nfs/dbraw/zinc/06/01/78/784060178.db2.gz ZAKBGCJMSLQOSF-CQSZACIVSA-N 1 1 339.399 0.498 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001070434374 784063873 /nfs/dbraw/zinc/06/38/73/784063873.db2.gz TVZYCCBISAVAOD-HIFRSBDPSA-N 1 1 343.431 0.459 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCO1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441300 784081180 /nfs/dbraw/zinc/08/11/80/784081180.db2.gz SEKSGBAKFTWILI-KBPBESRZSA-N 1 1 331.420 0.706 20 30 ECEDMO COCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442236 784084226 /nfs/dbraw/zinc/08/42/26/784084226.db2.gz FRGXQWPQJVCMRX-DGCLKSJQSA-N 1 1 332.408 0.147 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070905501 784087244 /nfs/dbraw/zinc/08/72/44/784087244.db2.gz AKPHZDGAMIDXHW-ZNMIVQPWSA-N 1 1 343.387 0.153 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070905501 784087251 /nfs/dbraw/zinc/08/72/51/784087251.db2.gz AKPHZDGAMIDXHW-ZNMIVQPWSA-N 1 1 343.387 0.153 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001070907293 784092886 /nfs/dbraw/zinc/09/28/86/784092886.db2.gz PEEVKHCKMPDCOE-YUELXQCFSA-N 1 1 346.387 0.970 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C1=CCOCC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070444554 784094634 /nfs/dbraw/zinc/09/46/34/784094634.db2.gz UECYSIQXWMWZGB-HNNXBMFYSA-N 1 1 343.431 0.874 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H](OC)C1CC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070445924 784098039 /nfs/dbraw/zinc/09/80/39/784098039.db2.gz NQEKXIFBRHICSQ-GJZGRUSLSA-N 1 1 345.447 0.952 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001070913659 784105174 /nfs/dbraw/zinc/10/51/74/784105174.db2.gz SMIMADZZZFLQPG-BBWFWOEESA-N 1 1 343.427 0.916 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001070916834 784110259 /nfs/dbraw/zinc/11/02/59/784110259.db2.gz YSOJQQFLRQKFHR-MJBXVCDLSA-N 1 1 337.420 0.297 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001070916834 784110262 /nfs/dbraw/zinc/11/02/62/784110262.db2.gz YSOJQQFLRQKFHR-MJBXVCDLSA-N 1 1 337.420 0.297 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1cnon1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451063 784111612 /nfs/dbraw/zinc/11/16/12/784111612.db2.gz UAWLYXYAWPEYEH-GFCCVEGCSA-N 1 1 343.391 0.614 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSCC#N)C2)C1 ZINC001070453734 784118386 /nfs/dbraw/zinc/11/83/86/784118386.db2.gz YIERJVZLTXDRKP-UONOGXRCSA-N 1 1 338.477 0.692 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(C)(C)COC)C1 ZINC001070921510 784119248 /nfs/dbraw/zinc/11/92/48/784119248.db2.gz AVZHRVPBMBHTHR-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(C)(C)COC)C1 ZINC001070921510 784119255 /nfs/dbraw/zinc/11/92/55/784119255.db2.gz AVZHRVPBMBHTHR-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070454890 784121686 /nfs/dbraw/zinc/12/16/86/784121686.db2.gz VPCRLMIIFFJCLC-CYBMUJFWSA-N 1 1 326.466 0.691 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)OCC)C1 ZINC001070467773 784143371 /nfs/dbraw/zinc/14/33/71/784143371.db2.gz DASQEWCTDASXSU-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)OCC)C1 ZINC001070467773 784143375 /nfs/dbraw/zinc/14/33/75/784143375.db2.gz DASQEWCTDASXSU-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001070933542 784149133 /nfs/dbraw/zinc/14/91/33/784149133.db2.gz RJYZKTOJIQSZAU-UHFFFAOYSA-N 1 1 347.419 0.413 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(C)c2)CC1 ZINC001070945002 784186350 /nfs/dbraw/zinc/18/63/50/784186350.db2.gz SWDKJACYLHIKLY-UHFFFAOYSA-N 1 1 333.436 0.189 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(C)c2)CC1 ZINC001070945002 784186352 /nfs/dbraw/zinc/18/63/52/784186352.db2.gz SWDKJACYLHIKLY-UHFFFAOYSA-N 1 1 333.436 0.189 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001070494751 784189109 /nfs/dbraw/zinc/18/91/09/784189109.db2.gz GYOGUHHXJKUFEP-CWLKWCNXSA-N 1 1 343.475 0.668 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001070494751 784189111 /nfs/dbraw/zinc/18/91/11/784189111.db2.gz GYOGUHHXJKUFEP-CWLKWCNXSA-N 1 1 343.475 0.668 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 ZINC001070946233 784189428 /nfs/dbraw/zinc/18/94/28/784189428.db2.gz ZLKJNAJXYUYNGI-KBPBESRZSA-N 1 1 337.420 0.022 20 30 ECEDMO C[C@H](F)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956683 784222923 /nfs/dbraw/zinc/22/29/23/784222923.db2.gz XVRUNMJTPDEDIA-ZDUSSCGKSA-N 1 1 349.410 0.899 20 30 ECEDMO C[C@H](F)CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956683 784222932 /nfs/dbraw/zinc/22/29/32/784222932.db2.gz XVRUNMJTPDEDIA-ZDUSSCGKSA-N 1 1 349.410 0.899 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001070975205 784288848 /nfs/dbraw/zinc/28/88/48/784288848.db2.gz HDPPIKCBUZZFKK-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncc(OC)cn2)CC1 ZINC001070978741 784299535 /nfs/dbraw/zinc/29/95/35/784299535.db2.gz BQSBFEBQVMCAGX-UHFFFAOYSA-N 1 1 347.419 0.325 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ncc(OC)cn2)CC1 ZINC001070978741 784299541 /nfs/dbraw/zinc/29/95/41/784299541.db2.gz BQSBFEBQVMCAGX-UHFFFAOYSA-N 1 1 347.419 0.325 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)cnn2C)CC1 ZINC001070990127 784337223 /nfs/dbraw/zinc/33/72/23/784337223.db2.gz PKAIBUPGBCULEI-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)cnn2C)CC1 ZINC001070990127 784337233 /nfs/dbraw/zinc/33/72/33/784337233.db2.gz PKAIBUPGBCULEI-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC2CC(OCC)C2)CC1 ZINC001070990002 784338002 /nfs/dbraw/zinc/33/80/02/784338002.db2.gz KFOAENJNNXCQKT-UHFFFAOYSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC2CC(OCC)C2)CC1 ZINC001070990002 784338008 /nfs/dbraw/zinc/33/80/08/784338008.db2.gz KFOAENJNNXCQKT-UHFFFAOYSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CC2CC2)CC1 ZINC001071001461 784375959 /nfs/dbraw/zinc/37/59/59/784375959.db2.gz ZQXCLGDWRMHUCY-CVEARBPZSA-N 1 1 335.448 0.638 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnc(C)c2)CC1 ZINC001071009540 784399100 /nfs/dbraw/zinc/39/91/00/784399100.db2.gz XOYWUNRTLXFCHC-UHFFFAOYSA-N 1 1 328.416 0.677 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnc(C)c2)CC1 ZINC001071009540 784399111 /nfs/dbraw/zinc/39/91/11/784399111.db2.gz XOYWUNRTLXFCHC-UHFFFAOYSA-N 1 1 328.416 0.677 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]c2)n1 ZINC001070595474 784403740 /nfs/dbraw/zinc/40/37/40/784403740.db2.gz BPMYDKPZEWYJPU-GJZGRUSLSA-N 1 1 342.403 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cncnc2)n1 ZINC001070602296 784420494 /nfs/dbraw/zinc/42/04/94/784420494.db2.gz NJBOFMYJNBSDIO-LSDHHAIUSA-N 1 1 340.387 0.648 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2nccn2)n1 ZINC001070604572 784424132 /nfs/dbraw/zinc/42/41/32/784424132.db2.gz NLVAZAPJMISNAO-UONOGXRCSA-N 1 1 345.407 0.389 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cccn1)C[C@H](C)O2 ZINC001071139369 784586457 /nfs/dbraw/zinc/58/64/57/784586457.db2.gz TYEBWWDRAOPSHG-FUHWJXTLSA-N 1 1 330.432 0.988 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1)C[C@H](C)O2 ZINC001071142454 784593756 /nfs/dbraw/zinc/59/37/56/784593756.db2.gz QKVQJSRYBRZPAN-YJBOKZPZSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001070728264 784608013 /nfs/dbraw/zinc/60/80/13/784608013.db2.gz MBCPBERXWNUPGO-MRXNPFEDSA-N 1 1 337.464 0.865 20 30 ECEDMO COCC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)C[C@@H](C)O2 ZINC001071154577 784617501 /nfs/dbraw/zinc/61/75/01/784617501.db2.gz MERVVSFUBBYZKD-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO COCC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C#N)[nH]1)C[C@@H](C)O2 ZINC001071156004 784619647 /nfs/dbraw/zinc/61/96/47/784619647.db2.gz AFNYNZGOPOSYAW-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001070732125 784622897 /nfs/dbraw/zinc/62/28/97/784622897.db2.gz WMPADBNVLYUWLP-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@H](C)O2 ZINC001071158936 784623882 /nfs/dbraw/zinc/62/38/82/784623882.db2.gz DVCUGQBCAUABHK-SUMWQHHRSA-N 1 1 333.388 0.307 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@@H](C)O2 ZINC001071160132 784629472 /nfs/dbraw/zinc/62/94/72/784629472.db2.gz XMFXLJCYONMRAO-RDTXWAMCSA-N 1 1 335.448 0.733 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@H](C)O2 ZINC001071160972 784631318 /nfs/dbraw/zinc/63/13/18/784631318.db2.gz BPZGKDUVSXLTTB-GUYCJALGSA-N 1 1 331.420 0.331 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc(C)o1)C[C@@H](C)O2 ZINC001071164090 784636622 /nfs/dbraw/zinc/63/66/22/784636622.db2.gz HHGLUVSVXBKCKN-DYVFJYSZSA-N 1 1 332.404 0.636 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccn(C)n1)C[C@H](C)O2 ZINC001071166536 784641472 /nfs/dbraw/zinc/64/14/72/784641472.db2.gz JSFYJDIHFKGUSI-MAUKXSAKSA-N 1 1 330.432 0.678 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@H+](CC(=O)N(C)C)C2)O1 ZINC001071167159 784644289 /nfs/dbraw/zinc/64/42/89/784644289.db2.gz UTYVTOGJCFAMAB-KBXCAEBGSA-N 1 1 333.432 0.180 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)O1 ZINC001071167159 784644291 /nfs/dbraw/zinc/64/42/91/784644291.db2.gz UTYVTOGJCFAMAB-KBXCAEBGSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc3nc[nH]c31)C[C@H](C)O2 ZINC001071170962 784651546 /nfs/dbraw/zinc/65/15/46/784651546.db2.gz FMKVBFJLLNGYHS-SCLBCKFNSA-N 1 1 339.399 0.897 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)C[N@H+](C)CCC)C2)nn1 ZINC001070752441 784651566 /nfs/dbraw/zinc/65/15/66/784651566.db2.gz QYSJRGUVAUBIEF-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1ccnn1C)C[C@@H](C)O2 ZINC001071174297 784661036 /nfs/dbraw/zinc/66/10/36/784661036.db2.gz WBEHKTXVVAFBQY-QAPCUYQASA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3n[nH]nc3c1)C[C@H](C)O2 ZINC001071175507 784663170 /nfs/dbraw/zinc/66/31/70/784663170.db2.gz FVBPPVPCLXSDKZ-SJCJKPOMSA-N 1 1 340.387 0.292 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)C[C@@H](C)O2 ZINC001071176585 784666889 /nfs/dbraw/zinc/66/68/89/784666889.db2.gz XUZNKYPVPFAGIK-RDTXWAMCSA-N 1 1 345.447 0.972 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)C[C@@H](C)O2 ZINC001071176585 784666894 /nfs/dbraw/zinc/66/68/94/784666894.db2.gz XUZNKYPVPFAGIK-RDTXWAMCSA-N 1 1 345.447 0.972 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1CC)C[C@H](C)O2 ZINC001071178226 784670939 /nfs/dbraw/zinc/67/09/39/784670939.db2.gz MFWRZBZDHIWNRE-KBXCAEBGSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1CC)C[C@H](C)O2 ZINC001071178226 784670944 /nfs/dbraw/zinc/67/09/44/784670944.db2.gz MFWRZBZDHIWNRE-KBXCAEBGSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(CN(C)C)on1)C[C@H](C)O2 ZINC001071183264 784682598 /nfs/dbraw/zinc/68/25/98/784682598.db2.gz LSVGVLHRHARACM-KBXCAEBGSA-N 1 1 346.431 0.675 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(CN(C)C)on1)C[C@H](C)O2 ZINC001071183264 784682603 /nfs/dbraw/zinc/68/26/03/784682603.db2.gz LSVGVLHRHARACM-KBXCAEBGSA-N 1 1 346.431 0.675 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@H](C)O2 ZINC001071183562 784683967 /nfs/dbraw/zinc/68/39/67/784683967.db2.gz QBIBHGCJBSSNSR-HNAYVOBHSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc3n[nH]nc31)C[C@@H](C)O2 ZINC001071189259 784693706 /nfs/dbraw/zinc/69/37/06/784693706.db2.gz IOFYKXCZHGUIQM-PXAZEXFGSA-N 1 1 340.387 0.292 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc3n[nH]nc31)C[C@@H](C)O2 ZINC001071189259 784693712 /nfs/dbraw/zinc/69/37/12/784693712.db2.gz IOFYKXCZHGUIQM-PXAZEXFGSA-N 1 1 340.387 0.292 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@H](C)O2 ZINC001071189338 784693774 /nfs/dbraw/zinc/69/37/74/784693774.db2.gz JQCLAFUJWZXTHD-SUMWQHHRSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@@H](C)O2 ZINC001071190248 784697056 /nfs/dbraw/zinc/69/70/56/784697056.db2.gz WIFDUJYKGLXQOK-DYVFJYSZSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@@H](C)O2 ZINC001071190248 784697061 /nfs/dbraw/zinc/69/70/61/784697061.db2.gz WIFDUJYKGLXQOK-DYVFJYSZSA-N 1 1 330.388 0.424 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cncc1C)C[C@H](C)O2 ZINC001071192773 784705908 /nfs/dbraw/zinc/70/59/08/784705908.db2.gz RKPMAHQESUYAQO-WMZOPIPTSA-N 1 1 330.432 0.907 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001071207201 784738877 /nfs/dbraw/zinc/73/88/77/784738877.db2.gz WQNGXVXAKNILOE-FZKQIMNGSA-N 1 1 342.399 0.235 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@H](C)O2 ZINC001071209325 784740286 /nfs/dbraw/zinc/74/02/86/784740286.db2.gz IDANKHSXHMBKHL-SJCJKPOMSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@H](C)O2 ZINC001071209325 784740291 /nfs/dbraw/zinc/74/02/91/784740291.db2.gz IDANKHSXHMBKHL-SJCJKPOMSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@@H](C)O2 ZINC001071209324 784740630 /nfs/dbraw/zinc/74/06/30/784740630.db2.gz IDANKHSXHMBKHL-PXAZEXFGSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@@H](C)O2 ZINC001071209324 784740637 /nfs/dbraw/zinc/74/06/37/784740637.db2.gz IDANKHSXHMBKHL-PXAZEXFGSA-N 1 1 331.372 0.317 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@H](C)O2 ZINC001071212466 784749591 /nfs/dbraw/zinc/74/95/91/784749591.db2.gz XXPGAHAWUWABJY-KXBFYZLASA-N 1 1 343.427 0.714 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CCCO)C3)C2)nn1 ZINC001071215669 784754240 /nfs/dbraw/zinc/75/42/40/784754240.db2.gz FOMMMAZVEBURPP-YOEHRIQHSA-N 1 1 349.435 0.152 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cnnn1)C[C@H](C)O2 ZINC001071222430 784774937 /nfs/dbraw/zinc/77/49/37/784774937.db2.gz BWJGXOGHFDQWIW-DOTOQJQBSA-N 1 1 348.451 0.721 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C(C)C)nn1)C[C@H](C)O2 ZINC001071225113 784781740 /nfs/dbraw/zinc/78/17/40/784781740.db2.gz GCMMSUFTCAUHTD-WMLDXEAASA-N 1 1 331.420 0.798 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C(C)C)nn1)C[C@H](C)O2 ZINC001071225113 784781750 /nfs/dbraw/zinc/78/17/50/784781750.db2.gz GCMMSUFTCAUHTD-WMLDXEAASA-N 1 1 331.420 0.798 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@@H](C)O2 ZINC001071227183 784785173 /nfs/dbraw/zinc/78/51/73/784785173.db2.gz ANEHONXHDJKSTA-DYVFJYSZSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@H](C)O2 ZINC001071231647 784795586 /nfs/dbraw/zinc/79/55/86/784795586.db2.gz SDXGJUNYQQPTIF-KSSFIOAISA-N 1 1 329.400 0.324 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nn(C)c1F)C[C@@H](C)O2 ZINC001071234256 784799191 /nfs/dbraw/zinc/79/91/91/784799191.db2.gz VYAKBYZEWWLDML-PXAZEXFGSA-N 1 1 334.395 0.806 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nn(C)c1F)C[C@@H](C)O2 ZINC001071234256 784799197 /nfs/dbraw/zinc/79/91/97/784799197.db2.gz VYAKBYZEWWLDML-PXAZEXFGSA-N 1 1 334.395 0.806 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(=O)Nc1cc(C)on1)C[C@H](C)O2 ZINC001071237602 784805677 /nfs/dbraw/zinc/80/56/77/784805677.db2.gz AGDTZJLGMUOLCB-GUYCJALGSA-N 1 1 348.403 0.799 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)COC)C1 ZINC001070899315 784806098 /nfs/dbraw/zinc/80/60/98/784806098.db2.gz UCIMZJZSZXBWEK-KFWWJZLASA-N 1 1 337.420 0.705 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@H](C)O2 ZINC001071238268 784807795 /nfs/dbraw/zinc/80/77/95/784807795.db2.gz KXBLSNBDPSGJDR-KBXCAEBGSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@@H](C)O2 ZINC001071239227 784810525 /nfs/dbraw/zinc/81/05/25/784810525.db2.gz YJAQRIYNSWURCQ-RDTXWAMCSA-N 1 1 344.415 0.109 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@@H](C)O2 ZINC001071240787 784814452 /nfs/dbraw/zinc/81/44/52/784814452.db2.gz KUTASHLMXGWZLV-QAPCUYQASA-N 1 1 331.416 0.726 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cncnc1CC)C[C@H](C)O2 ZINC001071241129 784815509 /nfs/dbraw/zinc/81/55/09/784815509.db2.gz PDJOGEUUOXRMJO-KBXCAEBGSA-N 1 1 328.416 0.978 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncnc1CC)C[C@H](C)O2 ZINC001071241129 784815518 /nfs/dbraw/zinc/81/55/18/784815518.db2.gz PDJOGEUUOXRMJO-KBXCAEBGSA-N 1 1 328.416 0.978 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccnc1C)C[C@H](C)O2 ZINC001071241492 784816631 /nfs/dbraw/zinc/81/66/31/784816631.db2.gz VZTXJCFEEHXEQY-YJBOKZPZSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)cs1)C[C@H](C)O2 ZINC001071244427 784821810 /nfs/dbraw/zinc/82/18/10/784821810.db2.gz UVNUZQDTWYAMBN-SJCJKPOMSA-N 1 1 347.440 0.786 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)cs1)C[C@H](C)O2 ZINC001071244427 784821819 /nfs/dbraw/zinc/82/18/19/784821819.db2.gz UVNUZQDTWYAMBN-SJCJKPOMSA-N 1 1 347.440 0.786 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)C(=O)C1 ZINC001071254271 784846089 /nfs/dbraw/zinc/84/60/89/784846089.db2.gz YJLPIUIKVUGGPH-OAHLLOKOSA-N 1 1 331.420 0.735 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)C(=O)C1 ZINC001071254271 784846097 /nfs/dbraw/zinc/84/60/97/784846097.db2.gz YJLPIUIKVUGGPH-OAHLLOKOSA-N 1 1 331.420 0.735 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)C(=O)C1 ZINC001071256912 784858093 /nfs/dbraw/zinc/85/80/93/784858093.db2.gz LOOKYVAINSFUCE-HZPDHXFCSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)C(=O)C1 ZINC001071256912 784858097 /nfs/dbraw/zinc/85/80/97/784858097.db2.gz LOOKYVAINSFUCE-HZPDHXFCSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3nonc3C)C2)C(=O)C1 ZINC001071278527 784925703 /nfs/dbraw/zinc/92/57/03/784925703.db2.gz FBNLMIBNMHMGOO-CQSZACIVSA-N 1 1 347.419 0.703 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3nonc3C)C2)C(=O)C1 ZINC001071278527 784925707 /nfs/dbraw/zinc/92/57/07/784925707.db2.gz FBNLMIBNMHMGOO-CQSZACIVSA-N 1 1 347.419 0.703 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001071344182 784985184 /nfs/dbraw/zinc/98/51/84/784985184.db2.gz VYAAQCASNMYTIT-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001071879941 785263482 /nfs/dbraw/zinc/26/34/82/785263482.db2.gz MNZQCAAVWBYXGW-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001071879941 785263485 /nfs/dbraw/zinc/26/34/85/785263485.db2.gz MNZQCAAVWBYXGW-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C ZINC001071549022 785285222 /nfs/dbraw/zinc/28/52/22/785285222.db2.gz NGJOPXDHEKUFTO-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@H]1C ZINC001071622622 785408236 /nfs/dbraw/zinc/40/82/36/785408236.db2.gz MFNVFCMLLYCYPD-YPMHNXCESA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@H]1C ZINC001071622622 785408242 /nfs/dbraw/zinc/40/82/42/785408242.db2.gz MFNVFCMLLYCYPD-YPMHNXCESA-N 1 1 339.417 0.533 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C ZINC001071989460 785486987 /nfs/dbraw/zinc/48/69/87/785486987.db2.gz PSJZIJCUBONESG-RYUDHWBXSA-N 1 1 328.376 0.024 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC[C@@H]1C ZINC001071990425 785489024 /nfs/dbraw/zinc/48/90/24/785489024.db2.gz ZVWWSEWOUZFZQU-QWRGUYRKSA-N 1 1 334.376 0.502 20 30 ECEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@@H]1C ZINC001071671189 785491839 /nfs/dbraw/zinc/49/18/39/785491839.db2.gz YUSSWNMLRGBNSH-UONOGXRCSA-N 1 1 334.420 0.658 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCn3cncn3)C2)nc1 ZINC001072003400 785510581 /nfs/dbraw/zinc/51/05/81/785510581.db2.gz ULEQNFMCYGJDKT-GOEBONIOSA-N 1 1 338.415 0.937 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@H]1C ZINC001071686241 785519368 /nfs/dbraw/zinc/51/93/68/785519368.db2.gz PWUIAPPCKVNRMN-HUUCEWRRSA-N 1 1 341.477 0.404 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC001072069625 785614817 /nfs/dbraw/zinc/61/48/17/785614817.db2.gz JYEAZIMZSAQEAX-GJZGRUSLSA-N 1 1 343.493 0.262 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001072125516 785706480 /nfs/dbraw/zinc/70/64/80/785706480.db2.gz MMWJVPNGKYTFSU-UONOGXRCSA-N 1 1 348.451 0.381 20 30 ECEDMO C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072252469 785893565 /nfs/dbraw/zinc/89/35/65/785893565.db2.gz VJYDNHSFBWCJCB-AAEUAGOBSA-N 1 1 342.407 0.298 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1NC(=O)C#CC1CC1 ZINC001072389776 786121727 /nfs/dbraw/zinc/12/17/27/786121727.db2.gz HNISBMXGVLOWRZ-ZBFHGGJFSA-N 1 1 333.432 0.085 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001072389830 786122084 /nfs/dbraw/zinc/12/20/84/786122084.db2.gz ILWKTPOKFIRUHK-HOTGVXAUSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CCCCCC(=O)N[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001072390807 786123768 /nfs/dbraw/zinc/12/37/68/786123768.db2.gz UQUHNIFTPXDGAA-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001073551752 786564406 /nfs/dbraw/zinc/56/44/06/786564406.db2.gz XYMLZQKRVCYQBK-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)no1 ZINC001074281953 786582788 /nfs/dbraw/zinc/58/27/88/786582788.db2.gz KKLVGIJTHJGCFN-LSDHHAIUSA-N 1 1 333.392 0.175 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001074288664 786601509 /nfs/dbraw/zinc/60/15/09/786601509.db2.gz GYSQKZPFQUOCPK-HOTGVXAUSA-N 1 1 346.431 0.615 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001074288664 786601518 /nfs/dbraw/zinc/60/15/18/786601518.db2.gz GYSQKZPFQUOCPK-HOTGVXAUSA-N 1 1 346.431 0.615 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 ZINC001074325089 786677813 /nfs/dbraw/zinc/67/78/13/786677813.db2.gz VRFGLNCIIKZBLS-LSDHHAIUSA-N 1 1 332.404 0.651 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 ZINC001074325089 786677819 /nfs/dbraw/zinc/67/78/19/786677819.db2.gz VRFGLNCIIKZBLS-LSDHHAIUSA-N 1 1 332.404 0.651 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 ZINC001074341681 786713794 /nfs/dbraw/zinc/71/37/94/786713794.db2.gz WACMNJBWYBHCDT-HOTGVXAUSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 ZINC001074341681 786713799 /nfs/dbraw/zinc/71/37/99/786713799.db2.gz WACMNJBWYBHCDT-HOTGVXAUSA-N 1 1 333.436 0.626 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(CCOC)c2C)C1 ZINC001073601232 786746009 /nfs/dbraw/zinc/74/60/09/786746009.db2.gz JKCVMHAYVJWWRY-HNNXBMFYSA-N 1 1 334.420 0.292 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CCOC)c2C)C1 ZINC001073601232 786746016 /nfs/dbraw/zinc/74/60/16/786746016.db2.gz JKCVMHAYVJWWRY-HNNXBMFYSA-N 1 1 334.420 0.292 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001073603765 786755146 /nfs/dbraw/zinc/75/51/46/786755146.db2.gz ODTVVLFEVLNEBD-CVEARBPZSA-N 1 1 346.431 0.607 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001073603765 786755155 /nfs/dbraw/zinc/75/51/55/786755155.db2.gz ODTVVLFEVLNEBD-CVEARBPZSA-N 1 1 346.431 0.607 20 30 ECEDMO CC#CCN1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001074362927 786760618 /nfs/dbraw/zinc/76/06/18/786760618.db2.gz LXEIHJTZKHIHOK-IAGOWNOFSA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3cnccc3=O)C[C@H]21 ZINC001074372108 786784126 /nfs/dbraw/zinc/78/41/26/786784126.db2.gz RQQQDLYTKVVWAR-HZPDHXFCSA-N 1 1 346.431 0.511 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3cnccc3=O)C[C@H]21 ZINC001074372108 786784134 /nfs/dbraw/zinc/78/41/34/786784134.db2.gz RQQQDLYTKVVWAR-HZPDHXFCSA-N 1 1 346.431 0.511 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3cnccc3=O)C[C@@H]21 ZINC001074372109 786784351 /nfs/dbraw/zinc/78/43/51/786784351.db2.gz RQQQDLYTKVVWAR-JKSUJKDBSA-N 1 1 346.431 0.511 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3cnccc3=O)C[C@@H]21 ZINC001074372109 786784360 /nfs/dbraw/zinc/78/43/60/786784360.db2.gz RQQQDLYTKVVWAR-JKSUJKDBSA-N 1 1 346.431 0.511 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001073630629 786816871 /nfs/dbraw/zinc/81/68/71/786816871.db2.gz AEFFIXQIHUDGBP-AWEZNQCLSA-N 1 1 333.436 0.877 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001073630629 786816877 /nfs/dbraw/zinc/81/68/77/786816877.db2.gz AEFFIXQIHUDGBP-AWEZNQCLSA-N 1 1 333.436 0.877 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ncccc2NC(C)=O)C1 ZINC001073630828 786818067 /nfs/dbraw/zinc/81/80/67/786818067.db2.gz GKKADFQBDRWESY-OAHLLOKOSA-N 1 1 344.415 0.884 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ncccc2NC(C)=O)C1 ZINC001073630828 786818080 /nfs/dbraw/zinc/81/80/80/786818080.db2.gz GKKADFQBDRWESY-OAHLLOKOSA-N 1 1 344.415 0.884 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001073632114 786821677 /nfs/dbraw/zinc/82/16/77/786821677.db2.gz YBJJVXCHJBRMCZ-LBPRGKRZSA-N 1 1 330.392 0.750 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3nccn32)C1 ZINC001073634206 786828803 /nfs/dbraw/zinc/82/88/03/786828803.db2.gz OIGZUTZCPUSEHO-JKSUJKDBSA-N 1 1 330.432 0.991 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001073660700 786902259 /nfs/dbraw/zinc/90/22/59/786902259.db2.gz MBLPQKJZFNOHJL-BZUAXINKSA-N 1 1 325.453 0.489 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001073660560 786902995 /nfs/dbraw/zinc/90/29/95/786902995.db2.gz IPJXJHQBNVWHEZ-DLBZAZTESA-N 1 1 344.459 0.984 20 30 ECEDMO C=C(Cl)CN1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660924 786904857 /nfs/dbraw/zinc/90/48/57/786904857.db2.gz RNHCNVVVNHIERN-QLFBSQMISA-N 1 1 345.871 0.665 20 30 ECEDMO C=C(Cl)CN1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660924 786904862 /nfs/dbraw/zinc/90/48/62/786904862.db2.gz RNHCNVVVNHIERN-QLFBSQMISA-N 1 1 345.871 0.665 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 ZINC001074415895 786913784 /nfs/dbraw/zinc/91/37/84/786913784.db2.gz YIPLKLCAEIDMSZ-ZBFHGGJFSA-N 1 1 348.447 0.605 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 ZINC001074415895 786913790 /nfs/dbraw/zinc/91/37/90/786913790.db2.gz YIPLKLCAEIDMSZ-ZBFHGGJFSA-N 1 1 348.447 0.605 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001073670856 786926527 /nfs/dbraw/zinc/92/65/27/786926527.db2.gz QCPIYYSOQGSNMQ-NVXWUHKLSA-N 1 1 330.432 0.676 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001073670869 786927478 /nfs/dbraw/zinc/92/74/78/786927478.db2.gz QLDDBWHQPNAQKX-CVEARBPZSA-N 1 1 330.432 0.676 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001073681566 786958486 /nfs/dbraw/zinc/95/84/86/786958486.db2.gz REXCYHAWGLLHNI-CQSZACIVSA-N 1 1 334.420 0.521 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3sccn3c2=O)C1 ZINC001073684381 786967089 /nfs/dbraw/zinc/96/70/89/786967089.db2.gz PJNWZVLEEJPQEX-GFCCVEGCSA-N 1 1 348.428 0.763 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c(OC)ccnc2OC)C1 ZINC001073691586 786979292 /nfs/dbraw/zinc/97/92/92/786979292.db2.gz WDTMMXHQJPFQSD-AWEZNQCLSA-N 1 1 347.415 0.943 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(OC)ccnc2OC)C1 ZINC001073691586 786979302 /nfs/dbraw/zinc/97/93/02/786979302.db2.gz WDTMMXHQJPFQSD-AWEZNQCLSA-N 1 1 347.415 0.943 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001073712544 787025254 /nfs/dbraw/zinc/02/52/54/787025254.db2.gz FGVKZEFHBCQPHL-LSDHHAIUSA-N 1 1 348.447 0.931 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccnc2-n2cccn2)C1 ZINC001073723164 787061728 /nfs/dbraw/zinc/06/17/28/787061728.db2.gz BBVJWCMFDNWSNE-HNNXBMFYSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccnc2-n2cccn2)C1 ZINC001073723164 787061736 /nfs/dbraw/zinc/06/17/36/787061736.db2.gz BBVJWCMFDNWSNE-HNNXBMFYSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001073724448 787064216 /nfs/dbraw/zinc/06/42/16/787064216.db2.gz WFEKYONXEFDDMD-HNNXBMFYSA-N 1 1 346.431 0.241 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001073726539 787068723 /nfs/dbraw/zinc/06/87/23/787068723.db2.gz OBHQCSNMUNULSC-OAHLLOKOSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001073741725 787099398 /nfs/dbraw/zinc/09/93/98/787099398.db2.gz WPZZRILVFWAKME-DZGCQCFKSA-N 1 1 332.404 0.715 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001073741725 787099406 /nfs/dbraw/zinc/09/94/06/787099406.db2.gz WPZZRILVFWAKME-DZGCQCFKSA-N 1 1 332.404 0.715 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001074511844 787131972 /nfs/dbraw/zinc/13/19/72/787131972.db2.gz ZAKNEVQDIXFKKN-LSDHHAIUSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001073769995 787169523 /nfs/dbraw/zinc/16/95/23/787169523.db2.gz YLRNMBJOHKNMBX-SOUVJXGZSA-N 1 1 339.436 0.193 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001073772814 787175434 /nfs/dbraw/zinc/17/54/34/787175434.db2.gz ZFSWIBHMRCZOAT-ARFHVFGLSA-N 1 1 330.432 0.754 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001073781444 787190244 /nfs/dbraw/zinc/19/02/44/787190244.db2.gz CKWFQDMKNKDRDH-CQSZACIVSA-N 1 1 346.431 0.195 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001073794177 787211955 /nfs/dbraw/zinc/21/19/55/787211955.db2.gz BLSRTBMQNYAOPX-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)nn(C)c2OC)C1 ZINC001073796078 787218186 /nfs/dbraw/zinc/21/81/86/787218186.db2.gz JQNZOEJCCNMEIS-CQSZACIVSA-N 1 1 334.420 0.581 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001073798732 787223380 /nfs/dbraw/zinc/22/33/80/787223380.db2.gz PBPQQNTWAPYXBA-MRXNPFEDSA-N 1 1 345.443 0.958 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001073798732 787223384 /nfs/dbraw/zinc/22/33/84/787223384.db2.gz PBPQQNTWAPYXBA-MRXNPFEDSA-N 1 1 345.443 0.958 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)O)CCCO2)cc1 ZINC001073801494 787228451 /nfs/dbraw/zinc/22/84/51/787228451.db2.gz MOVDKQTXEWCHCE-MAUKXSAKSA-N 1 1 346.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001073815886 787250238 /nfs/dbraw/zinc/25/02/38/787250238.db2.gz NVGVENLKBSWHSM-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001073815886 787250245 /nfs/dbraw/zinc/25/02/45/787250245.db2.gz NVGVENLKBSWHSM-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001073818249 787257918 /nfs/dbraw/zinc/25/79/18/787257918.db2.gz CNAZAJAJRVVFDT-ZDUSSCGKSA-N 1 1 345.403 0.338 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001073821361 787267762 /nfs/dbraw/zinc/26/77/62/787267762.db2.gz HUVKGMCCBCYIHN-AWEZNQCLSA-N 1 1 332.404 0.107 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3nnc[nH]3)C2)cc1 ZINC001073825512 787282355 /nfs/dbraw/zinc/28/23/55/787282355.db2.gz ODDUXKZZUXWZAR-HNNXBMFYSA-N 1 1 340.387 0.697 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001074579500 787309931 /nfs/dbraw/zinc/30/99/31/787309931.db2.gz KDYDAOUHJXPROD-HNNXBMFYSA-N 1 1 335.448 0.067 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C)c1nncn1C ZINC001074589101 787339097 /nfs/dbraw/zinc/33/90/97/787339097.db2.gz MOJKEOKDEJBFPX-GVXVVHGQSA-N 1 1 327.392 0.969 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001073853718 787366538 /nfs/dbraw/zinc/36/65/38/787366538.db2.gz MFQBEOKFWKPLDC-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001073853751 787367346 /nfs/dbraw/zinc/36/73/46/787367346.db2.gz NGDVDUBSQPROSE-HUUCEWRRSA-N 1 1 338.452 0.703 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001073856569 787371694 /nfs/dbraw/zinc/37/16/94/787371694.db2.gz JBKJSWZUMDJQEQ-CQSZACIVSA-N 1 1 342.403 0.277 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001073859269 787377432 /nfs/dbraw/zinc/37/74/32/787377432.db2.gz FSLHXSZOYGFQPO-GOEBONIOSA-N 1 1 330.432 0.745 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001073873464 787414656 /nfs/dbraw/zinc/41/46/56/787414656.db2.gz BLZMOJKBJTXPSZ-CYBMUJFWSA-N 1 1 332.404 0.448 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001073876841 787421247 /nfs/dbraw/zinc/42/12/47/787421247.db2.gz NZPHROZBGRXYSA-ROUUACIJSA-N 1 1 328.412 0.968 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001073876841 787421250 /nfs/dbraw/zinc/42/12/50/787421250.db2.gz NZPHROZBGRXYSA-ROUUACIJSA-N 1 1 328.412 0.968 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001073883219 787428823 /nfs/dbraw/zinc/42/88/23/787428823.db2.gz HJCGVIHMGKUFOO-MRXNPFEDSA-N 1 1 329.400 0.630 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001073886219 787435247 /nfs/dbraw/zinc/43/52/47/787435247.db2.gz KETXWJPJUYOGBO-NVXWUHKLSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001073886219 787435255 /nfs/dbraw/zinc/43/52/55/787435255.db2.gz KETXWJPJUYOGBO-NVXWUHKLSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001073898875 787472710 /nfs/dbraw/zinc/47/27/10/787472710.db2.gz DYSBUAWZTXYZJH-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001073898875 787472715 /nfs/dbraw/zinc/47/27/15/787472715.db2.gz DYSBUAWZTXYZJH-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CN(CC#CC)CCCO2)CC1 ZINC001073899591 787475280 /nfs/dbraw/zinc/47/52/80/787475280.db2.gz YDFGWJVCAATGAT-SFHVURJKSA-N 1 1 331.460 0.562 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001073905339 787489920 /nfs/dbraw/zinc/48/99/20/787489920.db2.gz CDNTTXKZNVVYEB-ZDUSSCGKSA-N 1 1 332.404 0.577 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001074646322 787494244 /nfs/dbraw/zinc/49/42/44/787494244.db2.gz SIOFMYRHKUQULJ-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc3nnn(C)c32)C1 ZINC001073914071 787517722 /nfs/dbraw/zinc/51/77/22/787517722.db2.gz IURMBCOGIZFSJC-ZDUSSCGKSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3nnn(C)c32)C1 ZINC001073914071 787517729 /nfs/dbraw/zinc/51/77/29/787517729.db2.gz IURMBCOGIZFSJC-ZDUSSCGKSA-N 1 1 327.388 0.422 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001074662483 787535276 /nfs/dbraw/zinc/53/52/76/787535276.db2.gz XLSLYPAEAVRTPQ-UHFFFAOYSA-N 1 1 348.447 0.873 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001073949723 787569110 /nfs/dbraw/zinc/56/91/10/787569110.db2.gz UWUVNAQMAPHLLV-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001073960323 787587244 /nfs/dbraw/zinc/58/72/44/787587244.db2.gz MQIQJPWKRNADJV-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSCC#N)C[C@H]1C ZINC001074013273 787676391 /nfs/dbraw/zinc/67/63/91/787676391.db2.gz DJUCOERTOUZKRL-KGLIPLIRSA-N 1 1 340.493 0.937 20 30 ECEDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C(N)=O)cc1C#N ZINC001074056609 787780153 /nfs/dbraw/zinc/78/01/53/787780153.db2.gz YTNJMYJDCROBTL-OAHLLOKOSA-N 1 1 344.415 0.865 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1=O ZINC001072595194 788391703 /nfs/dbraw/zinc/39/17/03/788391703.db2.gz HAQKDMVOBPOYPE-CQSZACIVSA-N 1 1 327.388 0.265 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCCNC2=O)C3)c[nH]1 ZINC001072639822 788483481 /nfs/dbraw/zinc/48/34/81/788483481.db2.gz OKVHTWKRJSEPES-AWEZNQCLSA-N 1 1 327.388 0.313 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CC)[C@@H]1C ZINC001074899954 788518086 /nfs/dbraw/zinc/51/80/86/788518086.db2.gz SYDOGXILWCXTMO-XGUBFFRZSA-N 1 1 333.436 0.968 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H](OC)C4CC4)C3)C2)C1=O ZINC001072687476 788595800 /nfs/dbraw/zinc/59/58/00/788595800.db2.gz XHXXHSBVSMIHNJ-HOTGVXAUSA-N 1 1 347.459 0.733 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001074981072 788659972 /nfs/dbraw/zinc/65/99/72/788659972.db2.gz BVKTXRXGHKZXQM-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cn([C@H]4CCOC4)nc3C)C2)C1 ZINC001072735684 788670225 /nfs/dbraw/zinc/67/02/25/788670225.db2.gz LWDQROBVKHQLGQ-HNNXBMFYSA-N 1 1 328.416 0.934 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C2)C1 ZINC001072738157 788676194 /nfs/dbraw/zinc/67/61/94/788676194.db2.gz JALBCHYJZCIPAR-UHFFFAOYSA-N 1 1 333.432 0.882 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C)c1 ZINC001072742160 788689826 /nfs/dbraw/zinc/68/98/26/788689826.db2.gz NNNPDIANJUQESJ-YOEHRIQHSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001072797267 788817489 /nfs/dbraw/zinc/81/74/89/788817489.db2.gz QXUAGZCIHDYYQW-OAHLLOKOSA-N 1 1 335.448 0.592 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1ncccn1)C2 ZINC001072822526 788889356 /nfs/dbraw/zinc/88/93/56/788889356.db2.gz LLLWRBIAKSYJSA-INIZCTEOSA-N 1 1 339.443 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1ncccn1)C2 ZINC001072822526 788889368 /nfs/dbraw/zinc/88/93/68/788889368.db2.gz LLLWRBIAKSYJSA-INIZCTEOSA-N 1 1 339.443 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1nccn1C)C2 ZINC001072822423 788890856 /nfs/dbraw/zinc/89/08/56/788890856.db2.gz GLABZNLECRKQBG-INIZCTEOSA-N 1 1 341.459 0.552 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1nccn1C)C2 ZINC001072822423 788890867 /nfs/dbraw/zinc/89/08/67/788890867.db2.gz GLABZNLECRKQBG-INIZCTEOSA-N 1 1 341.459 0.552 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001075090713 788892447 /nfs/dbraw/zinc/89/24/47/788892447.db2.gz JYSZINSFQIITCY-CVEARBPZSA-N 1 1 337.464 0.864 20 30 ECEDMO O=C([C@H]1CNC(=O)N1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001072931315 789130002 /nfs/dbraw/zinc/13/00/02/789130002.db2.gz CEXNHZQCMIXLHE-MRXNPFEDSA-N 1 1 338.411 0.254 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001072951827 789157330 /nfs/dbraw/zinc/15/73/30/789157330.db2.gz YFHMGQWKFGQHOY-KRWDZBQOSA-N 1 1 348.447 0.675 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001073029071 789304943 /nfs/dbraw/zinc/30/49/43/789304943.db2.gz KYSJKQYMXKTERL-OAHLLOKOSA-N 1 1 337.464 0.862 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)N(C)C)C2 ZINC001073045929 789340423 /nfs/dbraw/zinc/34/04/23/789340423.db2.gz DOHAGWSKCUBCCC-RDJZCZTQSA-N 1 1 349.475 0.980 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)C3(N4CCOCC4)CCC3)C2)C1 ZINC001073095704 789433885 /nfs/dbraw/zinc/43/38/85/789433885.db2.gz BRGAXVOSRXFIQU-UHFFFAOYSA-N 1 1 331.460 0.799 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4oncc4C)C3)C2)C1=O ZINC001073100405 789441634 /nfs/dbraw/zinc/44/16/34/789441634.db2.gz RJCQNVATGYEJAH-AWEZNQCLSA-N 1 1 344.415 0.918 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnns4)[C@@H]3C2)C1=O ZINC001075584873 789532266 /nfs/dbraw/zinc/53/22/66/789532266.db2.gz HBNAIFYSFLAFCU-RWMBFGLXSA-N 1 1 347.444 0.471 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnns4)[C@@H]3C2)C1=O ZINC001075584873 789532276 /nfs/dbraw/zinc/53/22/76/789532276.db2.gz HBNAIFYSFLAFCU-RWMBFGLXSA-N 1 1 347.444 0.471 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073164631 789556660 /nfs/dbraw/zinc/55/66/60/789556660.db2.gz FPLVKBMTHBFJEB-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2N(c2cnc(C#N)cn2)CC3)C1 ZINC001069265537 789716615 /nfs/dbraw/zinc/71/66/15/789716615.db2.gz CFQBEZAXXNMGFI-YEWWUXTCSA-N 1 1 340.431 0.918 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(CC)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001069377370 789784854 /nfs/dbraw/zinc/78/48/54/789784854.db2.gz ZPZBLDPNCVGWBL-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CC(Nc2ccc(C#N)nn2)C1 ZINC001069743817 790002675 /nfs/dbraw/zinc/00/26/75/790002675.db2.gz MRKISYMQESUOOS-UHFFFAOYSA-N 1 1 325.376 0.955 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC(Nc3nccnc3C#N)C2)C1 ZINC001069746412 790005026 /nfs/dbraw/zinc/00/50/26/790005026.db2.gz SQQDTXMTXQWPTO-SSDMNJCBSA-N 1 1 344.419 0.470 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC(Nc3nccnc3C#N)C2)C1 ZINC001069746412 790005031 /nfs/dbraw/zinc/00/50/31/790005031.db2.gz SQQDTXMTXQWPTO-SSDMNJCBSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 ZINC001069831151 790064627 /nfs/dbraw/zinc/06/46/27/790064627.db2.gz WWYXWXLAIARJPM-BBRMVZONSA-N 1 1 340.431 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2ncc(F)cn2)CC1 ZINC001069834163 790066042 /nfs/dbraw/zinc/06/60/42/790066042.db2.gz FUGRCJLWQRJCFE-INIZCTEOSA-N 1 1 343.406 0.966 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2ncc(F)cn2)CC1 ZINC001069834163 790066047 /nfs/dbraw/zinc/06/60/47/790066047.db2.gz FUGRCJLWQRJCFE-INIZCTEOSA-N 1 1 343.406 0.966 20 30 ECEDMO C#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CCCN3C)n2)C1 ZINC001069838125 790070326 /nfs/dbraw/zinc/07/03/26/790070326.db2.gz NYEJBOGGKTZZIC-SJORKVTESA-N 1 1 341.459 0.594 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)c3ncn(C)n3)c2C1 ZINC001069859914 790111869 /nfs/dbraw/zinc/11/18/69/790111869.db2.gz UAYGZADILBJAAC-UHFFFAOYSA-N 1 1 329.408 0.723 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)c3ncn(C)n3)c2C1 ZINC001069859914 790111871 /nfs/dbraw/zinc/11/18/71/790111871.db2.gz UAYGZADILBJAAC-UHFFFAOYSA-N 1 1 329.408 0.723 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)c2C1 ZINC001069862788 790116828 /nfs/dbraw/zinc/11/68/28/790116828.db2.gz FMPAQUMAKCUHEP-MRXNPFEDSA-N 1 1 343.475 0.926 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)c2C1 ZINC001069877136 790139742 /nfs/dbraw/zinc/13/97/42/790139742.db2.gz GDNKNUADDISVCQ-IAGOWNOFSA-N 1 1 341.459 0.965 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069899273 790167663 /nfs/dbraw/zinc/16/76/63/790167663.db2.gz XHSSXUUBMPMVMR-KFWWJZLASA-N 1 1 327.392 0.101 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001068833490 791223819 /nfs/dbraw/zinc/22/38/19/791223819.db2.gz OMGUGNAXXWPLAL-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001068873287 791316863 /nfs/dbraw/zinc/31/68/63/791316863.db2.gz BNCCWZGNJPCCJT-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)CO2 ZINC001069041018 791638470 /nfs/dbraw/zinc/63/84/70/791638470.db2.gz SLEGWPVCQQVOBM-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNc3nccnc3C#N)C2)CC[N@H+]1C ZINC001066686660 791987040 /nfs/dbraw/zinc/98/70/40/791987040.db2.gz XDMRJNIKFDNABO-MGPQQGTHSA-N 1 1 344.419 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2cnc(F)cn2)C1 ZINC001066689189 791996681 /nfs/dbraw/zinc/99/66/81/791996681.db2.gz GRAURZGAEKQATD-KBPBESRZSA-N 1 1 347.394 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2cnc(F)cn2)C1 ZINC001066689189 791996689 /nfs/dbraw/zinc/99/66/89/791996689.db2.gz GRAURZGAEKQATD-KBPBESRZSA-N 1 1 347.394 0.353 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[NH+]([C@H]3CCN(C(C)=O)C3)CC2)n1 ZINC001066694286 792009685 /nfs/dbraw/zinc/00/96/85/792009685.db2.gz MJCFWUZOATZGKR-HNNXBMFYSA-N 1 1 328.420 0.653 20 30 ECEDMO CC(C)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066697813 792015519 /nfs/dbraw/zinc/01/55/19/792015519.db2.gz DCTVVEQOCRTHJA-HNNXBMFYSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066701509 792029225 /nfs/dbraw/zinc/02/92/25/792029225.db2.gz ZNNXPVGFZFTWHK-ZNMIVQPWSA-N 1 1 340.431 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1c[nH]nc1C ZINC001067709364 792164912 /nfs/dbraw/zinc/16/49/12/792164912.db2.gz OSMZIZCWRMNLDF-INIZCTEOSA-N 1 1 345.447 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1c[nH]nc1C ZINC001067709364 792164917 /nfs/dbraw/zinc/16/49/17/792164917.db2.gz OSMZIZCWRMNLDF-INIZCTEOSA-N 1 1 345.447 0.736 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSCC#N ZINC001066872150 792243667 /nfs/dbraw/zinc/24/36/67/792243667.db2.gz XAOADYSJIYXTJW-ZDUSSCGKSA-N 1 1 326.466 0.644 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)c1cnc(C#N)cn1 ZINC001067762495 792245412 /nfs/dbraw/zinc/24/54/12/792245412.db2.gz BVYCKRPSUOERQC-HIFRSBDPSA-N 1 1 328.420 0.727 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(Nc3ccc(C#N)nc3)C2)C1 ZINC001066906713 792343798 /nfs/dbraw/zinc/34/37/98/792343798.db2.gz ZTLAHVIWIGWOME-KSSFIOAISA-N 1 1 343.431 0.670 20 30 ECEDMO Cc1cc(NCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C#N)cn1 ZINC001067852181 792371039 /nfs/dbraw/zinc/37/10/39/792371039.db2.gz QFNNAUVVLAWYPJ-BBBYJDLNSA-N 1 1 327.432 0.942 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067852693 792371276 /nfs/dbraw/zinc/37/12/76/792371276.db2.gz LYLQOOMDUKQRMA-UHFFFAOYSA-N 1 1 325.376 0.282 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3nccnc3C#N)CC2(C)C)C1 ZINC001068102259 792673464 /nfs/dbraw/zinc/67/34/64/792673464.db2.gz LHHMLXNQWVFZEH-KGLIPLIRSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3nccnc3C#N)CC2(C)C)C1 ZINC001068102259 792673467 /nfs/dbraw/zinc/67/34/67/792673467.db2.gz LHHMLXNQWVFZEH-KGLIPLIRSA-N 1 1 344.419 0.010 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2nccnc2C#N)CC1(C)C ZINC001068111865 792690988 /nfs/dbraw/zinc/69/09/88/792690988.db2.gz BEBSBAZKUPDHQC-CQSZACIVSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001068175697 792788106 /nfs/dbraw/zinc/78/81/06/792788106.db2.gz SLOICRRHXOLABG-YHUYYLMFSA-N 1 1 325.416 0.703 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1C ZINC001067400183 793099742 /nfs/dbraw/zinc/09/97/42/793099742.db2.gz BDYKTSUCQDBGRC-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)C[N@H+](C)CCC ZINC001067425514 793137512 /nfs/dbraw/zinc/13/75/12/793137512.db2.gz SLMGUCGUURIHOP-UHFFFAOYSA-N 1 1 325.453 0.675 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001067431508 793149769 /nfs/dbraw/zinc/14/97/69/793149769.db2.gz RMTGNKUFUMGQMJ-HOTGVXAUSA-N 1 1 337.464 0.673 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001068392849 793195682 /nfs/dbraw/zinc/19/56/82/793195682.db2.gz DRPGRYJOBKZSEY-UHFFFAOYSA-N 1 1 333.432 0.181 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068395145 793201729 /nfs/dbraw/zinc/20/17/29/793201729.db2.gz QCSHVOSXICRFRY-OAHLLOKOSA-N 1 1 333.432 0.037 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001068398873 793215018 /nfs/dbraw/zinc/21/50/18/793215018.db2.gz HXJOCHWBWWURJW-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCCC[N@H+]1C)CCO2 ZINC001068410633 793256824 /nfs/dbraw/zinc/25/68/24/793256824.db2.gz WWXSGDPYFZVVNE-MRXNPFEDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)CC[N@H+](C)CCC)CCO2 ZINC001068420076 793277064 /nfs/dbraw/zinc/27/70/64/793277064.db2.gz BKZGCJMRLIGOCR-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068437644 793313959 /nfs/dbraw/zinc/31/39/59/793313959.db2.gz BIJTXSIDKCCVIN-JKSUJKDBSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)CC[NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC001267426913 837402907 /nfs/dbraw/zinc/40/29/07/837402907.db2.gz RGLDDWITJIRIBU-UHFFFAOYSA-N 1 1 348.451 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001267488693 837552637 /nfs/dbraw/zinc/55/26/37/837552637.db2.gz OCWQRWXUIJWVHJ-INIZCTEOSA-N 1 1 330.432 0.806 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001267490069 837555443 /nfs/dbraw/zinc/55/54/43/837555443.db2.gz FNEBGYHGYRAKCN-GDBMZVCRSA-N 1 1 334.464 0.047 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@H](C)C#N)CC(=O)Nc1nncs1 ZINC001267499027 837573106 /nfs/dbraw/zinc/57/31/06/837573106.db2.gz HVKUIBFJWXXZTR-LLVKDONJSA-N 1 1 338.437 0.853 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccncc2)C1 ZINC001267501520 837576952 /nfs/dbraw/zinc/57/69/52/837576952.db2.gz LZUSDZGYJWQOKD-HUUCEWRRSA-N 1 1 328.416 0.661 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cccn2)C1 ZINC001267502480 837578333 /nfs/dbraw/zinc/57/83/33/837578333.db2.gz UWJSXWPTXABLKY-HUUCEWRRSA-N 1 1 333.436 0.402 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cccn2C)C1 ZINC001267509033 837597982 /nfs/dbraw/zinc/59/79/82/837597982.db2.gz PHRTWSDZFZWVPJ-LSDHHAIUSA-N 1 1 330.432 0.605 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COC ZINC001267528070 837697185 /nfs/dbraw/zinc/69/71/85/837697185.db2.gz TUTPMOGLBUVRRC-WCVJEAGWSA-N 1 1 326.437 0.650 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cc(C)nc(C)c2)C1 ZINC001267536046 837714341 /nfs/dbraw/zinc/71/43/41/837714341.db2.gz KYQZMQWZHREWKN-INIZCTEOSA-N 1 1 342.443 0.890 20 30 ECEDMO CCCN(C(=O)c1nccnc1N)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267537539 837717116 /nfs/dbraw/zinc/71/71/16/837717116.db2.gz JNEKXRJXWMDLMC-CQSZACIVSA-N 1 1 331.420 0.635 20 30 ECEDMO CCCN(C(=O)c1nccnc1N)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267537539 837717130 /nfs/dbraw/zinc/71/71/30/837717130.db2.gz JNEKXRJXWMDLMC-CQSZACIVSA-N 1 1 331.420 0.635 20 30 ECEDMO CCCN(C(=O)C[C@H]1CCC(=O)N1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267547760 837743506 /nfs/dbraw/zinc/74/35/06/837743506.db2.gz QSTAGAPILSCUIL-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO CCCN(C(=O)C[C@H]1CCC(=O)N1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267547760 837743512 /nfs/dbraw/zinc/74/35/12/837743512.db2.gz QSTAGAPILSCUIL-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](CCNC(=O)C(N)=O)C2)cc1C#N ZINC001267563994 837779631 /nfs/dbraw/zinc/77/96/31/837779631.db2.gz JVMKARDLLVJEEW-GFCCVEGCSA-N 1 1 330.388 0.380 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2ncccc2F)C1 ZINC001267563700 837777444 /nfs/dbraw/zinc/77/74/44/837777444.db2.gz DETSTPAKQWCGFA-CYBMUJFWSA-N 1 1 347.394 0.231 20 30 ECEDMO Cc1ccoc1CC(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267565254 837780377 /nfs/dbraw/zinc/78/03/77/837780377.db2.gz KXHVIBMRUJTWFR-AWEZNQCLSA-N 1 1 332.404 0.599 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccn(C)c2C)C1 ZINC001267565348 837781951 /nfs/dbraw/zinc/78/19/51/837781951.db2.gz LLJHIGJSNQZHGE-CVEARBPZSA-N 1 1 344.459 0.913 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](CCNC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001267568433 837790014 /nfs/dbraw/zinc/79/00/14/837790014.db2.gz VCVDKIANXRPDFM-CQSZACIVSA-N 1 1 334.420 0.331 20 30 ECEDMO Cc1nc(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(C)o1 ZINC001267569194 837794973 /nfs/dbraw/zinc/79/49/73/837794973.db2.gz QUYOJNHUYQHJBX-CYBMUJFWSA-N 1 1 333.392 0.373 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC2(F)F)CC1 ZINC001267572327 837809172 /nfs/dbraw/zinc/80/91/72/837809172.db2.gz JJKKKGJVHMVLHY-CQSZACIVSA-N 1 1 329.391 0.367 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)Cc2ccn(CC)n2)CC1 ZINC001267572595 837809290 /nfs/dbraw/zinc/80/92/90/837809290.db2.gz QFTFCCVOKKBWLU-UHFFFAOYSA-N 1 1 331.464 0.545 20 30 ECEDMO CC#CCN1CC[NH+](CCN(C)C(=O)Cc2ccn(CC)n2)CC1 ZINC001267572595 837809295 /nfs/dbraw/zinc/80/92/95/837809295.db2.gz QFTFCCVOKKBWLU-UHFFFAOYSA-N 1 1 331.464 0.545 20 30 ECEDMO CCCn1cc(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cn1 ZINC001267576044 837828739 /nfs/dbraw/zinc/82/87/39/837828739.db2.gz NANLRGIPRZEVCT-CQSZACIVSA-N 1 1 346.435 0.375 20 30 ECEDMO N#CCNC(=O)CN1CCC[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001266248590 835553902 /nfs/dbraw/zinc/55/39/02/835553902.db2.gz OWEWESJPGXADLD-GFCCVEGCSA-N 1 1 340.387 0.397 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001266249232 835555376 /nfs/dbraw/zinc/55/53/76/835555376.db2.gz WLMMEVVTSNTZFX-KBPBESRZSA-N 1 1 333.436 0.532 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001266249232 835555381 /nfs/dbraw/zinc/55/53/81/835555381.db2.gz WLMMEVVTSNTZFX-KBPBESRZSA-N 1 1 333.436 0.532 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccnn1C ZINC001266261853 835571888 /nfs/dbraw/zinc/57/18/88/835571888.db2.gz AQYLAFKPOMZCNS-AWEZNQCLSA-N 1 1 335.452 0.895 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccnn1C ZINC001266261853 835571896 /nfs/dbraw/zinc/57/18/96/835571896.db2.gz AQYLAFKPOMZCNS-AWEZNQCLSA-N 1 1 335.452 0.895 20 30 ECEDMO CCC(=O)N1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001266264929 835578461 /nfs/dbraw/zinc/57/84/61/835578461.db2.gz PCHVKMYIKMLCBU-INIZCTEOSA-N 1 1 349.479 0.425 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001266265211 835579739 /nfs/dbraw/zinc/57/97/39/835579739.db2.gz ZLSJHBYKYJOGNU-UHFFFAOYSA-N 1 1 326.404 0.824 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc(C(C)(C)C)on1 ZINC001266296955 835644999 /nfs/dbraw/zinc/64/49/99/835644999.db2.gz FFQICRUTLVHWQZ-LBPRGKRZSA-N 1 1 334.420 0.772 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C(C)(C)C)on1 ZINC001266296955 835645003 /nfs/dbraw/zinc/64/50/03/835645003.db2.gz FFQICRUTLVHWQZ-LBPRGKRZSA-N 1 1 334.420 0.772 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1=O ZINC001266297347 835646905 /nfs/dbraw/zinc/64/69/05/835646905.db2.gz LSZAKYAYHFGVMB-BBWFWOEESA-N 1 1 349.475 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1=O ZINC001266297347 835646908 /nfs/dbraw/zinc/64/69/08/835646908.db2.gz LSZAKYAYHFGVMB-BBWFWOEESA-N 1 1 349.475 0.884 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001266310850 835678218 /nfs/dbraw/zinc/67/82/18/835678218.db2.gz MNCUOKVTQRMWIA-HOTGVXAUSA-N 1 1 335.448 0.804 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001266310850 835678220 /nfs/dbraw/zinc/67/82/20/835678220.db2.gz MNCUOKVTQRMWIA-HOTGVXAUSA-N 1 1 335.448 0.804 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C(C)(C)C(F)F ZINC001266323450 835699616 /nfs/dbraw/zinc/69/96/16/835699616.db2.gz CYCKSWULINNFLE-UHFFFAOYSA-N 1 1 334.367 0.338 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)C(F)F ZINC001266323450 835699619 /nfs/dbraw/zinc/69/96/19/835699619.db2.gz CYCKSWULINNFLE-UHFFFAOYSA-N 1 1 334.367 0.338 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@H]2C1 ZINC001279363704 835705070 /nfs/dbraw/zinc/70/50/70/835705070.db2.gz VHCAANXUIQROIT-SOUVJXGZSA-N 1 1 333.432 0.036 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccnc(OC)c2)C1 ZINC001266328027 835709178 /nfs/dbraw/zinc/70/91/78/835709178.db2.gz RAEFXJWARLLEME-TZMCWYRMSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccnc(OC)c2)C1 ZINC001266328027 835709184 /nfs/dbraw/zinc/70/91/84/835709184.db2.gz RAEFXJWARLLEME-TZMCWYRMSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCOC1)C2 ZINC001279212593 835721791 /nfs/dbraw/zinc/72/17/91/835721791.db2.gz BDEHNOYTHAMJIW-JONQDZQNSA-N 1 1 335.448 0.684 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC3CC3)C2)cc1 ZINC001266349749 835745297 /nfs/dbraw/zinc/74/52/97/835745297.db2.gz LVKUIWDGDUUHIW-INIZCTEOSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC3CC3)C2)cc1 ZINC001266349749 835745307 /nfs/dbraw/zinc/74/53/07/835745307.db2.gz LVKUIWDGDUUHIW-INIZCTEOSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cncnc1C1CC1 ZINC001266354697 835757762 /nfs/dbraw/zinc/75/77/62/835757762.db2.gz KTYRMHGJQJIBBP-GFCCVEGCSA-N 1 1 331.420 0.706 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cncnc1C1CC1 ZINC001266354697 835757767 /nfs/dbraw/zinc/75/77/67/835757767.db2.gz KTYRMHGJQJIBBP-GFCCVEGCSA-N 1 1 331.420 0.706 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)COc1cccc(C)c1 ZINC001266358662 835765149 /nfs/dbraw/zinc/76/51/49/835765149.db2.gz WUZXNOOSMZRLAM-HNNXBMFYSA-N 1 1 331.416 0.560 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)COc1cccc(C)c1 ZINC001266358662 835765156 /nfs/dbraw/zinc/76/51/56/835765156.db2.gz WUZXNOOSMZRLAM-HNNXBMFYSA-N 1 1 331.416 0.560 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1c(Cl)cnn1C ZINC001266391101 835799621 /nfs/dbraw/zinc/79/96/21/835799621.db2.gz ZHYKVWKDRMMTRY-LLVKDONJSA-N 1 1 341.843 0.816 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1c(Cl)cnn1C ZINC001266391101 835799626 /nfs/dbraw/zinc/79/96/26/835799626.db2.gz ZHYKVWKDRMMTRY-LLVKDONJSA-N 1 1 341.843 0.816 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1nncs1)C1CC1 ZINC001266412412 835818177 /nfs/dbraw/zinc/81/81/77/835818177.db2.gz SOIAFRYMKPAORS-KGLIPLIRSA-N 1 1 333.461 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](NCc1nncs1)C1CC1 ZINC001266412412 835818183 /nfs/dbraw/zinc/81/81/83/835818183.db2.gz SOIAFRYMKPAORS-KGLIPLIRSA-N 1 1 333.461 0.620 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](NCc1nncs1)C1CC1 ZINC001266412412 835818188 /nfs/dbraw/zinc/81/81/88/835818188.db2.gz SOIAFRYMKPAORS-KGLIPLIRSA-N 1 1 333.461 0.620 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cnn2ccc(C)nc12 ZINC001266428458 835832866 /nfs/dbraw/zinc/83/28/66/835832866.db2.gz QCSGBLPOFWYFFN-UHFFFAOYSA-N 1 1 329.404 0.739 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCn1cccn1 ZINC001266447288 835850985 /nfs/dbraw/zinc/85/09/85/835850985.db2.gz RDYLGXMUDBMCHU-CABCVRRESA-N 1 1 333.436 0.545 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc(C)no2)C1 ZINC001266447825 835852062 /nfs/dbraw/zinc/85/20/62/835852062.db2.gz ANNQNOCYVPNVPZ-AWEZNQCLSA-N 1 1 332.404 0.516 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC(=O)NCC=C ZINC001266460681 835863431 /nfs/dbraw/zinc/86/34/31/835863431.db2.gz BDEKWCQGGNSRCT-HUUCEWRRSA-N 1 1 348.447 0.771 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(=O)NCC=C ZINC001266460681 835863438 /nfs/dbraw/zinc/86/34/38/835863438.db2.gz BDEKWCQGGNSRCT-HUUCEWRRSA-N 1 1 348.447 0.771 20 30 ECEDMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001266461181 835864142 /nfs/dbraw/zinc/86/41/42/835864142.db2.gz LDTZHXYAIFWZGQ-CQSZACIVSA-N 1 1 343.493 0.556 20 30 ECEDMO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001266461181 835864147 /nfs/dbraw/zinc/86/41/47/835864147.db2.gz LDTZHXYAIFWZGQ-CQSZACIVSA-N 1 1 343.493 0.556 20 30 ECEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001266464291 835865685 /nfs/dbraw/zinc/86/56/85/835865685.db2.gz XNCBKSTZFIBMTN-INIZCTEOSA-N 1 1 336.480 0.555 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c(n1)CCCC2 ZINC001266465566 835867028 /nfs/dbraw/zinc/86/70/28/835867028.db2.gz XRYJOBJKIMKPLB-QGZVFWFLSA-N 1 1 344.459 0.992 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1(C)CC1 ZINC001266465637 835867879 /nfs/dbraw/zinc/86/78/79/835867879.db2.gz YYRPPNFTNVMDAA-QWHCGFSZSA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CC1 ZINC001266465637 835867884 /nfs/dbraw/zinc/86/78/84/835867884.db2.gz YYRPPNFTNVMDAA-QWHCGFSZSA-N 1 1 336.436 0.767 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001266469743 835871798 /nfs/dbraw/zinc/87/17/98/835871798.db2.gz RGKVEOGFBLVCMP-OAHLLOKOSA-N 1 1 343.493 0.462 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001266469345 835872059 /nfs/dbraw/zinc/87/20/59/835872059.db2.gz JYEWGAYBZHCWAK-OAHLLOKOSA-N 1 1 343.493 0.462 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001266469979 835872688 /nfs/dbraw/zinc/87/26/88/835872688.db2.gz XJRJORMLIRHMLT-KGLIPLIRSA-N 1 1 331.482 0.671 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCNS(C)(=O)=O)cc1 ZINC001266474303 835877286 /nfs/dbraw/zinc/87/72/86/835877286.db2.gz LBSDPFACHQFZCS-MRXNPFEDSA-N 1 1 349.456 0.411 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCNS(C)(=O)=O)cc1 ZINC001266474303 835877288 /nfs/dbraw/zinc/87/72/88/835877288.db2.gz LBSDPFACHQFZCS-MRXNPFEDSA-N 1 1 349.456 0.411 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001266492133 835891830 /nfs/dbraw/zinc/89/18/30/835891830.db2.gz IWGBPENADVKOQO-JKSUJKDBSA-N 1 1 342.443 0.679 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001266492133 835891835 /nfs/dbraw/zinc/89/18/35/835891835.db2.gz IWGBPENADVKOQO-JKSUJKDBSA-N 1 1 342.443 0.679 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccnnc2C)C1 ZINC001266520698 835933901 /nfs/dbraw/zinc/93/39/01/835933901.db2.gz RGETWTVAXFSBLX-ZIAGYGMSSA-N 1 1 331.420 0.527 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001266523530 835938257 /nfs/dbraw/zinc/93/82/57/835938257.db2.gz PUPJDHXXNQPEPR-CQSZACIVSA-N 1 1 345.399 0.058 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2nc(Cl)cs2)C1 ZINC001266528016 835942879 /nfs/dbraw/zinc/94/28/79/835942879.db2.gz IBKOVCCXVYJKQX-SECBINFHSA-N 1 1 341.824 0.488 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2nc(Cl)cs2)C1 ZINC001266528016 835942884 /nfs/dbraw/zinc/94/28/84/835942884.db2.gz IBKOVCCXVYJKQX-SECBINFHSA-N 1 1 341.824 0.488 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001266528056 835942953 /nfs/dbraw/zinc/94/29/53/835942953.db2.gz IPBMGACKXXMVOP-QWHCGFSZSA-N 1 1 342.390 0.890 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001266528056 835942960 /nfs/dbraw/zinc/94/29/60/835942960.db2.gz IPBMGACKXXMVOP-QWHCGFSZSA-N 1 1 342.390 0.890 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C3CC3)no2)C1 ZINC001266537226 835955609 /nfs/dbraw/zinc/95/56/09/835955609.db2.gz HAZVUCHVVHVPHE-OLZOCXBDSA-N 1 1 344.415 0.742 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](CC#CCOC)C2)nn1 ZINC001266537753 835956426 /nfs/dbraw/zinc/95/64/26/835956426.db2.gz RMIXCDYSAGSLHC-HNNXBMFYSA-N 1 1 331.420 0.556 20 30 ECEDMO CNC(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+](CC#CCOC)C2)n1 ZINC001266545242 835966378 /nfs/dbraw/zinc/96/63/78/835966378.db2.gz OFWZQLTZTJZINW-CQSZACIVSA-N 1 1 344.415 0.143 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cncc(F)c1)C1CC1 ZINC001266588639 836019289 /nfs/dbraw/zinc/01/92/89/836019289.db2.gz UZMZRKGVOXKWGN-LBPRGKRZSA-N 1 1 332.379 0.553 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cncc(F)c1)C1CC1 ZINC001266588639 836019302 /nfs/dbraw/zinc/01/93/02/836019302.db2.gz UZMZRKGVOXKWGN-LBPRGKRZSA-N 1 1 332.379 0.553 20 30 ECEDMO C#CCOCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCN(C)C1=O ZINC001266648357 836084082 /nfs/dbraw/zinc/08/40/82/836084082.db2.gz WTSRQFXKMSVARO-HMQMGEFJSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CCCCCC(=O)N(C)CC[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001266680582 836134045 /nfs/dbraw/zinc/13/40/45/836134045.db2.gz IMAJSCUSJDHDNT-UHFFFAOYSA-N 1 1 344.419 0.811 20 30 ECEDMO C#CCCCCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001279478970 836140543 /nfs/dbraw/zinc/14/05/43/836140543.db2.gz DQNTVWPONISFOM-YJBOKZPZSA-N 1 1 335.448 0.402 20 30 ECEDMO C#CCCCCC(=O)N[C@@]1(CO)CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001279478970 836140548 /nfs/dbraw/zinc/14/05/48/836140548.db2.gz DQNTVWPONISFOM-YJBOKZPZSA-N 1 1 335.448 0.402 20 30 ECEDMO C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001266706685 836175123 /nfs/dbraw/zinc/17/51/23/836175123.db2.gz ZLYYUWTUWBVGSE-OAHLLOKOSA-N 1 1 348.451 0.140 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001266746605 836232029 /nfs/dbraw/zinc/23/20/29/836232029.db2.gz HJDORQDAWVGWPO-ZIAGYGMSSA-N 1 1 348.451 0.256 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001266746605 836232041 /nfs/dbraw/zinc/23/20/41/836232041.db2.gz HJDORQDAWVGWPO-ZIAGYGMSSA-N 1 1 348.451 0.256 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001266746605 836232052 /nfs/dbraw/zinc/23/20/52/836232052.db2.gz HJDORQDAWVGWPO-ZIAGYGMSSA-N 1 1 348.451 0.256 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001266749312 836236869 /nfs/dbraw/zinc/23/68/69/836236869.db2.gz GZSUBYYXTUGITL-AWEZNQCLSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001266749312 836236883 /nfs/dbraw/zinc/23/68/83/836236883.db2.gz GZSUBYYXTUGITL-AWEZNQCLSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001266755288 836250616 /nfs/dbraw/zinc/25/06/16/836250616.db2.gz ORWFZVCHXUDNGP-CHWSQXEVSA-N 1 1 334.395 0.734 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001266758120 836254651 /nfs/dbraw/zinc/25/46/51/836254651.db2.gz NZUZNKOXKNSEKA-RFBLXINOSA-N 1 1 335.448 0.398 20 30 ECEDMO CCc1c(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)ccn1C ZINC001266760681 836261896 /nfs/dbraw/zinc/26/18/96/836261896.db2.gz KPVRQRKRVLBKHF-AWEZNQCLSA-N 1 1 345.447 0.669 20 30 ECEDMO CCc1c(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)ccn1C ZINC001266760681 836261905 /nfs/dbraw/zinc/26/19/05/836261905.db2.gz KPVRQRKRVLBKHF-AWEZNQCLSA-N 1 1 345.447 0.669 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001266804088 836326808 /nfs/dbraw/zinc/32/68/08/836326808.db2.gz AYQYZHXNCSMKGM-STQMWFEESA-N 1 1 349.435 0.258 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CC1 ZINC001266842439 836368579 /nfs/dbraw/zinc/36/85/79/836368579.db2.gz OAFYBULUSYXJCJ-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CCNC(=O)C1CC1 ZINC001266842439 836368592 /nfs/dbraw/zinc/36/85/92/836368592.db2.gz OAFYBULUSYXJCJ-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1cncn1C ZINC001266858605 836395449 /nfs/dbraw/zinc/39/54/49/836395449.db2.gz UGZLDBHUPKAZOK-MRXNPFEDSA-N 1 1 347.463 0.626 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1cncn1C ZINC001266858605 836395465 /nfs/dbraw/zinc/39/54/65/836395465.db2.gz UGZLDBHUPKAZOK-MRXNPFEDSA-N 1 1 347.463 0.626 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c(C)ncn2C)C1 ZINC001266890413 836439016 /nfs/dbraw/zinc/43/90/16/836439016.db2.gz JYJSYSNIICJYRD-HIFRSBDPSA-N 1 1 347.463 0.861 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)ncn2C)C1 ZINC001266890416 836439028 /nfs/dbraw/zinc/43/90/28/836439028.db2.gz JYJSYSNIICJYRD-UKRRQHHQSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001266891628 836440714 /nfs/dbraw/zinc/44/07/14/836440714.db2.gz QCJAGCBVOFWGNC-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001266892417 836442791 /nfs/dbraw/zinc/44/27/91/836442791.db2.gz VPQIRRFKZSEKDW-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266894640 836443629 /nfs/dbraw/zinc/44/36/29/836443629.db2.gz WKPNAHUPOHGUNT-OCCSQVGLSA-N 1 1 342.403 0.356 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266894640 836443634 /nfs/dbraw/zinc/44/36/34/836443634.db2.gz WKPNAHUPOHGUNT-OCCSQVGLSA-N 1 1 342.403 0.356 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001266898203 836450242 /nfs/dbraw/zinc/45/02/42/836450242.db2.gz ZKHWYZUMXPUJBY-SECBINFHSA-N 1 1 347.341 0.781 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCCCS(N)(=O)=O)C1 ZINC001266898285 836450422 /nfs/dbraw/zinc/45/04/22/836450422.db2.gz ULLOBHGCVJWSGQ-CABCVRRESA-N 1 1 343.493 0.685 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCOC1 ZINC001266905030 836462897 /nfs/dbraw/zinc/46/28/97/836462897.db2.gz YLCIPMIYOVDEJI-NMNMXBMNSA-N 1 1 335.448 0.540 20 30 ECEDMO C#CCCCCC(=O)NC[C@H](C)[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001266934553 836492206 /nfs/dbraw/zinc/49/22/06/836492206.db2.gz YDNMMFBBDCDKQG-LBPRGKRZSA-N 1 1 344.419 0.857 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]Cc2nccn2C)C1 ZINC001267001709 836593092 /nfs/dbraw/zinc/59/30/92/836593092.db2.gz VLRIDRZGQPSQFH-OAHLLOKOSA-N 1 1 347.463 0.831 20 30 ECEDMO N#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001267057909 836692983 /nfs/dbraw/zinc/69/29/83/836692983.db2.gz MSMVRKGPIWZAFZ-VIFPVBQESA-N 1 1 340.334 0.039 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2ccncn2)C1 ZINC001267104871 836781346 /nfs/dbraw/zinc/78/13/46/836781346.db2.gz VRUPJXAFLYCCCA-MRXNPFEDSA-N 1 1 343.431 0.081 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCc2ccncn2)C1 ZINC001267104871 836781352 /nfs/dbraw/zinc/78/13/52/836781352.db2.gz VRUPJXAFLYCCCA-MRXNPFEDSA-N 1 1 343.431 0.081 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2nccn2CC)C1 ZINC001267106182 836785192 /nfs/dbraw/zinc/78/51/92/836785192.db2.gz PEAYDYMYLDWZSI-HUUCEWRRSA-N 1 1 345.447 0.577 20 30 ECEDMO CCS(=O)(=O)NCC[N@H+](C)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001267106764 836787748 /nfs/dbraw/zinc/78/77/48/836787748.db2.gz VWSGIQRSBMXKOJ-HNNXBMFYSA-N 1 1 341.477 0.262 20 30 ECEDMO CCS(=O)(=O)NCC[N@@H+](C)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001267106764 836787754 /nfs/dbraw/zinc/78/77/54/836787754.db2.gz VWSGIQRSBMXKOJ-HNNXBMFYSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cn(C(C)C)cn2)C1 ZINC001267107315 836788538 /nfs/dbraw/zinc/78/85/38/836788538.db2.gz CCFRAICOCNDDBH-OAHLLOKOSA-N 1 1 345.447 0.750 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(C(C)C)cn2)C1 ZINC001267107315 836788544 /nfs/dbraw/zinc/78/85/44/836788544.db2.gz CCFRAICOCNDDBH-OAHLLOKOSA-N 1 1 345.447 0.750 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001267107877 836789731 /nfs/dbraw/zinc/78/97/31/836789731.db2.gz KLMGUEVHAPKBEZ-INIZCTEOSA-N 1 1 328.416 0.792 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001267107877 836789739 /nfs/dbraw/zinc/78/97/39/836789739.db2.gz KLMGUEVHAPKBEZ-INIZCTEOSA-N 1 1 328.416 0.792 20 30 ECEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001267108238 836791431 /nfs/dbraw/zinc/79/14/31/836791431.db2.gz NGPPUFWKGHMFTJ-AWEZNQCLSA-N 1 1 342.399 0.972 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)c1ccco1 ZINC001267111620 836799245 /nfs/dbraw/zinc/79/92/45/836799245.db2.gz QYCOHUKTTVLSSL-UONOGXRCSA-N 1 1 332.404 0.946 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)c1ccco1 ZINC001267111620 836799253 /nfs/dbraw/zinc/79/92/53/836799253.db2.gz QYCOHUKTTVLSSL-UONOGXRCSA-N 1 1 332.404 0.946 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2ccnc(C)n2)C1 ZINC001267114917 836806511 /nfs/dbraw/zinc/80/65/11/836806511.db2.gz NFDZDRZDDCNBDS-HIFRSBDPSA-N 1 1 343.431 0.459 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CCOC)C1 ZINC001267114950 836808893 /nfs/dbraw/zinc/80/88/93/836808893.db2.gz OBFXQSFKXNPSGZ-AWEZNQCLSA-N 1 1 340.468 0.819 20 30 ECEDMO C=CCOCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001267198749 836965968 /nfs/dbraw/zinc/96/59/68/836965968.db2.gz ANIXWHYIJSCSMR-CQSZACIVSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2occ3c2CCOC3)C1=O ZINC001267209823 836996253 /nfs/dbraw/zinc/99/62/53/836996253.db2.gz NFWRWCBQUSAANW-OAHLLOKOSA-N 1 1 347.415 0.801 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2occ3c2CCOC3)C1=O ZINC001267209823 836996260 /nfs/dbraw/zinc/99/62/60/836996260.db2.gz NFWRWCBQUSAANW-OAHLLOKOSA-N 1 1 347.415 0.801 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NCCC ZINC001267210112 836997316 /nfs/dbraw/zinc/99/73/16/836997316.db2.gz AHEMNMXFLZLDAW-UHFFFAOYSA-N 1 1 326.441 0.873 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC(=O)NCCC ZINC001267210112 836997321 /nfs/dbraw/zinc/99/73/21/836997321.db2.gz AHEMNMXFLZLDAW-UHFFFAOYSA-N 1 1 326.441 0.873 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1c(C)nn(CC)c1C ZINC001267221585 837014307 /nfs/dbraw/zinc/01/43/07/837014307.db2.gz NQMYQLPQWYXCHD-AWEZNQCLSA-N 1 1 333.436 0.319 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1c(C)nn(CC)c1C ZINC001267221585 837014314 /nfs/dbraw/zinc/01/43/14/837014314.db2.gz NQMYQLPQWYXCHD-AWEZNQCLSA-N 1 1 333.436 0.319 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn2c(cccc2C)n1 ZINC001267229664 837031961 /nfs/dbraw/zinc/03/19/61/837031961.db2.gz RTURAKPAVKCBFP-CQSZACIVSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn2c(cccc2C)n1 ZINC001267229664 837031964 /nfs/dbraw/zinc/03/19/64/837031964.db2.gz RTURAKPAVKCBFP-CQSZACIVSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cncnc1C(C)C ZINC001267230563 837034287 /nfs/dbraw/zinc/03/42/87/837034287.db2.gz SHSUYHDDVHXABR-ZDUSSCGKSA-N 1 1 333.436 0.952 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cncnc1C(C)C ZINC001267230563 837034294 /nfs/dbraw/zinc/03/42/94/837034294.db2.gz SHSUYHDDVHXABR-ZDUSSCGKSA-N 1 1 333.436 0.952 20 30 ECEDMO C=CCOc1ccc(CC(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)cc1 ZINC001267232916 837037655 /nfs/dbraw/zinc/03/76/55/837037655.db2.gz OZBJKMHVSRGLJW-INIZCTEOSA-N 1 1 331.416 0.730 20 30 ECEDMO C=CCOc1ccc(CC(=O)NCC[N@H+](C)[C@H]2CCNC2=O)cc1 ZINC001267232916 837037672 /nfs/dbraw/zinc/03/76/72/837037672.db2.gz OZBJKMHVSRGLJW-INIZCTEOSA-N 1 1 331.416 0.730 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)Cc2cnn(C)c2)C1=O ZINC001267238206 837046621 /nfs/dbraw/zinc/04/66/21/837046621.db2.gz JPKIQGIIBUDCBG-HNNXBMFYSA-N 1 1 333.436 0.188 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)[C@H](C)C(=O)NCC(F)(F)F ZINC001267241053 837049021 /nfs/dbraw/zinc/04/90/21/837049021.db2.gz IZVYPNNTXAJCRH-LLVKDONJSA-N 1 1 333.354 0.905 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)[C@H](C)C(=O)NCC(F)(F)F ZINC001267241053 837049026 /nfs/dbraw/zinc/04/90/26/837049026.db2.gz IZVYPNNTXAJCRH-LLVKDONJSA-N 1 1 333.354 0.905 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1c[nH]nc1C1CC1 ZINC001267254508 837076308 /nfs/dbraw/zinc/07/63/08/837076308.db2.gz SNTJDNDVBQZKNB-GFCCVEGCSA-N 1 1 331.420 0.477 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1c[nH]nc1C1CC1 ZINC001267254508 837076312 /nfs/dbraw/zinc/07/63/12/837076312.db2.gz SNTJDNDVBQZKNB-GFCCVEGCSA-N 1 1 331.420 0.477 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2CCNC(=O)C2CC2)c1 ZINC001267277001 837122024 /nfs/dbraw/zinc/12/20/24/837122024.db2.gz XKWJELCXSZZTOI-KRWDZBQOSA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2CCNC(=O)C2CC2)c1 ZINC001267277001 837122034 /nfs/dbraw/zinc/12/20/34/837122034.db2.gz XKWJELCXSZZTOI-KRWDZBQOSA-N 1 1 340.427 0.783 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cncc(F)c2)C1 ZINC001267291103 837142281 /nfs/dbraw/zinc/14/22/81/837142281.db2.gz ZGWYFPWKKJUSNZ-QWHCGFSZSA-N 1 1 334.395 0.963 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC001267293017 837146676 /nfs/dbraw/zinc/14/66/76/837146676.db2.gz KHDJOIOCMVBSPE-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001267296924 837156777 /nfs/dbraw/zinc/15/67/77/837156777.db2.gz XYRMVZHLCUXVFQ-AWEZNQCLSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001267297232 837157518 /nfs/dbraw/zinc/15/75/18/837157518.db2.gz FCTGJFQOTGHHIT-HUUCEWRRSA-N 1 1 337.464 0.932 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)c2cnn3cccnc23)C1 ZINC001267297912 837159166 /nfs/dbraw/zinc/15/91/66/837159166.db2.gz IAMAHRUSOFGJQI-AWEZNQCLSA-N 1 1 327.388 0.431 20 30 ECEDMO C#CCNC(=O)CN1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267302705 837167759 /nfs/dbraw/zinc/16/77/59/837167759.db2.gz GYCDQUXHYITZPU-SJORKVTESA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)CN1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267302705 837167764 /nfs/dbraw/zinc/16/77/64/837167764.db2.gz GYCDQUXHYITZPU-SJORKVTESA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001267303956 837170838 /nfs/dbraw/zinc/17/08/38/837170838.db2.gz UIZZZMAYLFDVBE-CABCVRRESA-N 1 1 331.416 0.879 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](CNC(=O)c2cnc3cccnn32)C1 ZINC001267303576 837171038 /nfs/dbraw/zinc/17/10/38/837171038.db2.gz PAYHACDLBNKSKS-AWEZNQCLSA-N 1 1 329.404 0.984 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)CCOC)C1 ZINC001267303849 837171217 /nfs/dbraw/zinc/17/12/17/837171217.db2.gz CAGYZJHXHMGFJI-CABCVRRESA-N 1 1 337.464 0.625 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001267305399 837173975 /nfs/dbraw/zinc/17/39/75/837173975.db2.gz LCNSIWHBQQVDFD-STQMWFEESA-N 1 1 333.436 0.715 20 30 ECEDMO C=CCCC[N@H+]1CC[C@@H](CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001267307834 837181037 /nfs/dbraw/zinc/18/10/37/837181037.db2.gz WVOIMISXFGADFA-HNNXBMFYSA-N 1 1 347.463 0.785 20 30 ECEDMO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267309339 837184821 /nfs/dbraw/zinc/18/48/21/837184821.db2.gz LEGVIXVEGMFVSV-INIZCTEOSA-N 1 1 349.456 0.025 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC001267310551 837186370 /nfs/dbraw/zinc/18/63/70/837186370.db2.gz XWNKVRBUHPRUFF-CYBMUJFWSA-N 1 1 329.466 0.166 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)C1CC(F)(F)C1 ZINC001267312132 837187501 /nfs/dbraw/zinc/18/75/01/837187501.db2.gz QJYSGCHQFOPQKL-LBPRGKRZSA-N 1 1 329.391 0.998 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+](CCNC(=O)C#CC(C)(C)C)C2CC2)CCO1 ZINC001267326427 837202667 /nfs/dbraw/zinc/20/26/67/837202667.db2.gz VQZCRDJFMIUSOU-OAHLLOKOSA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](CCNC(=O)C#CC(C)(C)C)C2CC2)CCO1 ZINC001267326427 837202673 /nfs/dbraw/zinc/20/26/73/837202673.db2.gz VQZCRDJFMIUSOU-OAHLLOKOSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C1CCC(C(=O)NCC[N@@H+](CCNS(C)(=O)=O)C2CC2)CC1 ZINC001267332892 837215547 /nfs/dbraw/zinc/21/55/47/837215547.db2.gz STIDHVFQEUJXRX-UHFFFAOYSA-N 1 1 343.493 0.863 20 30 ECEDMO C=C1CCC(C(=O)NCC[N@H+](CCNS(C)(=O)=O)C2CC2)CC1 ZINC001267332892 837215553 /nfs/dbraw/zinc/21/55/53/837215553.db2.gz STIDHVFQEUJXRX-UHFFFAOYSA-N 1 1 343.493 0.863 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1cc2n(c1)CCCC2)C1CC1 ZINC001267338878 837221549 /nfs/dbraw/zinc/22/15/49/837221549.db2.gz SSPLERXFPOCGMM-UHFFFAOYSA-N 1 1 343.431 0.658 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1cc2n(c1)CCCC2)C1CC1 ZINC001267338878 837221559 /nfs/dbraw/zinc/22/15/59/837221559.db2.gz SSPLERXFPOCGMM-UHFFFAOYSA-N 1 1 343.431 0.658 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@H](CNC(=O)c1ccc[nH]1)c1ccccc1 ZINC001267351108 837237390 /nfs/dbraw/zinc/23/73/90/837237390.db2.gz PHCWZSHECQTHMO-OAHLLOKOSA-N 1 1 325.372 0.715 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)C[C@H]1CCOC1)c1ccccc1 ZINC001267356748 837245460 /nfs/dbraw/zinc/24/54/60/837245460.db2.gz ICVJRXJWPFOHFU-NVXWUHKLSA-N 1 1 343.427 0.610 20 30 ECEDMO CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)C#CC1CC1)c1ccccc1 ZINC001267357911 837246723 /nfs/dbraw/zinc/24/67/23/837246723.db2.gz UCXDEZRLRAHUSQ-HNNXBMFYSA-N 1 1 342.399 0.303 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC001267580001 837839660 /nfs/dbraw/zinc/83/96/60/837839660.db2.gz PCKKJKBQPVNYTH-KBPBESRZSA-N 1 1 346.406 0.753 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCC(F)F)C1 ZINC001267586781 837865437 /nfs/dbraw/zinc/86/54/37/837865437.db2.gz ZLQUNTQWVADJDQ-CHWSQXEVSA-N 1 1 329.391 0.950 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001267594218 837894263 /nfs/dbraw/zinc/89/42/63/837894263.db2.gz BDOYDMRUTCSFLC-DLBZAZTESA-N 1 1 349.475 0.723 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(C)C)C2)cn1 ZINC001267594106 837894283 /nfs/dbraw/zinc/89/42/83/837894283.db2.gz YXYRZDFTMKRYJX-CABCVRRESA-N 1 1 342.443 0.934 20 30 ECEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC001267594874 837895872 /nfs/dbraw/zinc/89/58/72/837895872.db2.gz CFTFHEOSSBWBOA-INIZCTEOSA-N 1 1 337.464 0.982 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1 ZINC001267597430 837904469 /nfs/dbraw/zinc/90/44/69/837904469.db2.gz XJDJDJRCUUJGRR-OAHLLOKOSA-N 1 1 337.464 0.579 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001267599973 837915506 /nfs/dbraw/zinc/91/55/06/837915506.db2.gz AMTAVERAUAXNKH-AWEZNQCLSA-N 1 1 331.482 0.672 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@H](C)c2c(C)nn(C)c2C)CC1 ZINC001267617666 838040705 /nfs/dbraw/zinc/04/07/05/838040705.db2.gz FKBRVHWYMKJAQV-OAHLLOKOSA-N 1 1 345.491 0.850 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@H](C)c2c(C)nn(C)c2C)CC1 ZINC001267617666 838040721 /nfs/dbraw/zinc/04/07/21/838040721.db2.gz FKBRVHWYMKJAQV-OAHLLOKOSA-N 1 1 345.491 0.850 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)nc2)C1 ZINC001267625070 838073246 /nfs/dbraw/zinc/07/32/46/838073246.db2.gz GJYLRCOULLDJIP-HNNXBMFYSA-N 1 1 328.416 0.533 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001267634303 838101925 /nfs/dbraw/zinc/10/19/25/838101925.db2.gz QAOHAMMZVFKMDR-GJZGRUSLSA-N 1 1 345.447 0.288 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001267634303 838101929 /nfs/dbraw/zinc/10/19/29/838101929.db2.gz QAOHAMMZVFKMDR-GJZGRUSLSA-N 1 1 345.447 0.288 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CCc2cnn(C)c2)C1 ZINC001267646090 838132481 /nfs/dbraw/zinc/13/24/81/838132481.db2.gz LNTLLMHENKLNEB-WBVHZDCISA-N 1 1 332.448 0.781 20 30 ECEDMO COCCOC[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001267646456 838133120 /nfs/dbraw/zinc/13/31/20/838133120.db2.gz PETPPJNSXRSHKP-IAGOWNOFSA-N 1 1 340.464 0.450 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC001267659226 838179403 /nfs/dbraw/zinc/17/94/03/838179403.db2.gz XLGKBICGBOSSAL-UONOGXRCSA-N 1 1 345.447 0.504 20 30 ECEDMO COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(CCOC)n2)C1 ZINC001267665366 838190451 /nfs/dbraw/zinc/19/04/51/838190451.db2.gz GRQLRJKVPBSKEG-INIZCTEOSA-N 1 1 348.447 0.573 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnc(C)n2C)C1 ZINC001267683041 838242676 /nfs/dbraw/zinc/24/26/76/838242676.db2.gz IOKZWEWAXLZTBT-ZFWWWQNUSA-N 1 1 345.447 0.260 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)Cc2cnn3ccccc23)C1 ZINC001267684130 838247043 /nfs/dbraw/zinc/24/70/43/838247043.db2.gz WQTTXANUNNQUFV-UHFFFAOYSA-N 1 1 326.400 0.575 20 30 ECEDMO Cc1ncccc1C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001267684866 838248684 /nfs/dbraw/zinc/24/86/84/838248684.db2.gz SZUYIOAGCCAQNC-AWEZNQCLSA-N 1 1 329.404 0.424 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001267696477 838285612 /nfs/dbraw/zinc/28/56/12/838285612.db2.gz HGJFZGODFQVMNM-HNNXBMFYSA-N 1 1 348.447 0.673 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001267697105 838289861 /nfs/dbraw/zinc/28/98/61/838289861.db2.gz OSVCHGQSBDTKHF-KGLIPLIRSA-N 1 1 329.404 0.008 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)CCc2cnn(C)c2)C1 ZINC001267707765 838311346 /nfs/dbraw/zinc/31/13/46/838311346.db2.gz GQBHZYANNVMFAE-MRXNPFEDSA-N 1 1 347.463 0.435 20 30 ECEDMO Cn1cc(C[N@H+](C)CC2CCN(C(=O)CSCC#N)CC2)nn1 ZINC001267718896 838371405 /nfs/dbraw/zinc/37/14/05/838371405.db2.gz SQBMMFJHORYZET-UHFFFAOYSA-N 1 1 336.465 0.742 20 30 ECEDMO Cn1cc(C[N@@H+](C)CC2CCN(C(=O)CSCC#N)CC2)nn1 ZINC001267718896 838371409 /nfs/dbraw/zinc/37/14/09/838371409.db2.gz SQBMMFJHORYZET-UHFFFAOYSA-N 1 1 336.465 0.742 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CCn2c(C)csc2=O)C1 ZINC001267722836 838376031 /nfs/dbraw/zinc/37/60/31/838376031.db2.gz OJQBCRYKFQVIIG-XJKSGUPXSA-N 1 1 339.461 0.736 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](CCn2c(C)csc2=O)C1 ZINC001267722836 838376041 /nfs/dbraw/zinc/37/60/41/838376041.db2.gz OJQBCRYKFQVIIG-XJKSGUPXSA-N 1 1 339.461 0.736 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001267721999 838376499 /nfs/dbraw/zinc/37/64/99/838376499.db2.gz SPGROOGTZDZDQR-HNNXBMFYSA-N 1 1 348.451 0.283 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001267721999 838376508 /nfs/dbraw/zinc/37/65/08/838376508.db2.gz SPGROOGTZDZDQR-HNNXBMFYSA-N 1 1 348.451 0.283 20 30 ECEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267723928 838381837 /nfs/dbraw/zinc/38/18/37/838381837.db2.gz OHSRCNAQJVJONQ-OCCSQVGLSA-N 1 1 336.436 0.910 20 30 ECEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267723928 838381848 /nfs/dbraw/zinc/38/18/48/838381848.db2.gz OHSRCNAQJVJONQ-OCCSQVGLSA-N 1 1 336.436 0.910 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C[N@H+](C)Cc2cnnn2C)CC1 ZINC001267724835 838391151 /nfs/dbraw/zinc/39/11/51/838391151.db2.gz OONFPCBLPCFNKS-KRWDZBQOSA-N 1 1 335.452 0.813 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C2)nn1 ZINC001267730971 838418357 /nfs/dbraw/zinc/41/83/57/838418357.db2.gz IJNWJUUNDZSNRD-KGLIPLIRSA-N 1 1 348.451 0.524 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C(C)C)C2)nn1 ZINC001267730971 838418360 /nfs/dbraw/zinc/41/83/60/838418360.db2.gz IJNWJUUNDZSNRD-KGLIPLIRSA-N 1 1 348.451 0.524 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001267731206 838418440 /nfs/dbraw/zinc/41/84/40/838418440.db2.gz SXVVARKZNLFHPH-KBPBESRZSA-N 1 1 331.482 0.717 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2cncn2C)C1 ZINC001267734136 838426819 /nfs/dbraw/zinc/42/68/19/838426819.db2.gz VFIQZBBMFAKAAF-KBPBESRZSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CCc2cncn2C)C1 ZINC001267734136 838426825 /nfs/dbraw/zinc/42/68/25/838426825.db2.gz VFIQZBBMFAKAAF-KBPBESRZSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001267744341 838448160 /nfs/dbraw/zinc/44/81/60/838448160.db2.gz OPJFKSMSIXIUKO-CYBMUJFWSA-N 1 1 330.392 0.439 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267747167 838453891 /nfs/dbraw/zinc/45/38/91/838453891.db2.gz MFZFXDWFIZJYFX-DZGCQCFKSA-N 1 1 348.447 0.747 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267747167 838453894 /nfs/dbraw/zinc/45/38/94/838453894.db2.gz MFZFXDWFIZJYFX-DZGCQCFKSA-N 1 1 348.447 0.747 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001267746589 838453953 /nfs/dbraw/zinc/45/39/53/838453953.db2.gz LVFCLNDGIOAXFI-OAHLLOKOSA-N 1 1 341.415 0.800 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001267746589 838453956 /nfs/dbraw/zinc/45/39/56/838453956.db2.gz LVFCLNDGIOAXFI-OAHLLOKOSA-N 1 1 341.415 0.800 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC(C[N@H+](C)[C@H](C)C(N)=O)CC2)nn1 ZINC001267752112 838473970 /nfs/dbraw/zinc/47/39/70/838473970.db2.gz FXAUAKHVFXUAFJ-CYBMUJFWSA-N 1 1 348.451 0.512 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CC[N@@H+](CCn2nc(C)nc2C)C1 ZINC001267765449 838497202 /nfs/dbraw/zinc/49/72/02/838497202.db2.gz ZIPWQVNFQUQXRT-DOTOQJQBSA-N 1 1 335.452 0.755 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)COCc2cc[nH]c(=O)c2)C1 ZINC001267766128 838498998 /nfs/dbraw/zinc/49/89/98/838498998.db2.gz CPDCQXVLUUGEIA-MRXNPFEDSA-N 1 1 347.415 0.486 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)COCc2cc[nH]c(=O)c2)C1 ZINC001267766128 838499001 /nfs/dbraw/zinc/49/90/01/838499001.db2.gz CPDCQXVLUUGEIA-MRXNPFEDSA-N 1 1 347.415 0.486 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001267767001 838501570 /nfs/dbraw/zinc/50/15/70/838501570.db2.gz MVTKZYOIHJDZNH-NEPJUHHUSA-N 1 1 333.392 0.019 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001267767001 838501574 /nfs/dbraw/zinc/50/15/74/838501574.db2.gz MVTKZYOIHJDZNH-NEPJUHHUSA-N 1 1 333.392 0.019 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001267769952 838517206 /nfs/dbraw/zinc/51/72/06/838517206.db2.gz XDSWILSJAXBMBA-ZBFHGGJFSA-N 1 1 345.447 0.280 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001267769952 838517211 /nfs/dbraw/zinc/51/72/11/838517211.db2.gz XDSWILSJAXBMBA-ZBFHGGJFSA-N 1 1 345.447 0.280 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC2CCC2)NC(C)=O)C1 ZINC001267770879 838518088 /nfs/dbraw/zinc/51/80/88/838518088.db2.gz UAJYYEYMFCPVCI-QZTJIDSGSA-N 1 1 349.475 0.864 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC2CCC2)NC(C)=O)C1 ZINC001267770879 838518094 /nfs/dbraw/zinc/51/80/94/838518094.db2.gz UAJYYEYMFCPVCI-QZTJIDSGSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2(C(F)F)CCC2)C1 ZINC001267771136 838520055 /nfs/dbraw/zinc/52/00/55/838520055.db2.gz ZLUPKCWUAVGXIN-LBPRGKRZSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C(F)F)CCC2)C1 ZINC001267771136 838520061 /nfs/dbraw/zinc/52/00/61/838520061.db2.gz ZLUPKCWUAVGXIN-LBPRGKRZSA-N 1 1 327.375 0.704 20 30 ECEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CCC1 ZINC001267771988 838523893 /nfs/dbraw/zinc/52/38/93/838523893.db2.gz RAJILGCTCQIGOS-CQSZACIVSA-N 1 1 348.447 0.817 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001267779013 838547131 /nfs/dbraw/zinc/54/71/31/838547131.db2.gz LOEQGHPGPRLHIV-CQSZACIVSA-N 1 1 340.468 0.819 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2cc(C)on2)C1 ZINC001267783800 838557289 /nfs/dbraw/zinc/55/72/89/838557289.db2.gz DYHRPWUJXYGKLW-HNNXBMFYSA-N 1 1 334.420 0.751 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2cc(C)on2)C1 ZINC001267783800 838557292 /nfs/dbraw/zinc/55/72/92/838557292.db2.gz DYHRPWUJXYGKLW-HNNXBMFYSA-N 1 1 334.420 0.751 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C#C)cc2)C1 ZINC001267788139 838565575 /nfs/dbraw/zinc/56/55/75/838565575.db2.gz QRBKADMHZKLCRA-SFHVURJKSA-N 1 1 337.423 0.954 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C#C)cc2)C1 ZINC001267788139 838565582 /nfs/dbraw/zinc/56/55/82/838565582.db2.gz QRBKADMHZKLCRA-SFHVURJKSA-N 1 1 337.423 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NCc1noc(CC)n1 ZINC001267806631 838584593 /nfs/dbraw/zinc/58/45/93/838584593.db2.gz OEABAOLUNQKLPH-KBPBESRZSA-N 1 1 333.436 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NCc1noc(CC)n1 ZINC001267806631 838584602 /nfs/dbraw/zinc/58/46/02/838584602.db2.gz OEABAOLUNQKLPH-KBPBESRZSA-N 1 1 333.436 0.714 20 30 ECEDMO C=CCn1cc(C(=O)N[C@](C)(C[NH2+]Cc2cnn(C)n2)C2CC2)nn1 ZINC001267859630 838657917 /nfs/dbraw/zinc/65/79/17/838657917.db2.gz DRBKFWBATKNNBR-MRXNPFEDSA-N 1 1 344.423 0.281 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1cc(CCC)[nH]n1 ZINC001267960612 838873297 /nfs/dbraw/zinc/87/32/97/838873297.db2.gz JMKBMVACTHODDO-UKRRQHHQSA-N 1 1 345.447 0.694 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C2(NC(C)=O)CCCC2)C1 ZINC001267968981 838890022 /nfs/dbraw/zinc/89/00/22/838890022.db2.gz FWDGXOHIEVNITB-MRXNPFEDSA-N 1 1 335.448 0.666 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)C2(NC(C)=O)CCCC2)C1 ZINC001267968981 838890030 /nfs/dbraw/zinc/89/00/30/838890030.db2.gz FWDGXOHIEVNITB-MRXNPFEDSA-N 1 1 335.448 0.666 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)COC)CC2 ZINC001267972702 838902727 /nfs/dbraw/zinc/90/27/27/838902727.db2.gz OSOOCURBWYDPFJ-HNNXBMFYSA-N 1 1 337.464 0.886 20 30 ECEDMO COCC#CCN1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001268025372 839020860 /nfs/dbraw/zinc/02/08/60/839020860.db2.gz DELUAFUTOPFSRN-ULQDDVLXSA-N 1 1 337.464 0.184 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001268030142 839049573 /nfs/dbraw/zinc/04/95/73/839049573.db2.gz NJHIBWJZKHYHGV-AWEZNQCLSA-N 1 1 346.431 0.838 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC1(F)F)CC2 ZINC001268043961 839199838 /nfs/dbraw/zinc/19/98/38/839199838.db2.gz UEOUAXLAUCWZHM-LBPRGKRZSA-N 1 1 327.375 0.868 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)Cn1ccnc1)CC2 ZINC001268048268 839220544 /nfs/dbraw/zinc/22/05/44/839220544.db2.gz POXFYUHMHNQJBX-OAHLLOKOSA-N 1 1 345.447 0.498 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001268060073 839244163 /nfs/dbraw/zinc/24/41/63/839244163.db2.gz LUKVKNXXTIDIIB-JKSUJKDBSA-N 1 1 347.463 0.911 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H](C)n3cncn3)CC2)C1=O ZINC000981011026 839333086 /nfs/dbraw/zinc/33/30/86/839333086.db2.gz YNNMZSGBMOXWMJ-GJZGRUSLSA-N 1 1 346.435 0.160 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H](C)n3cncn3)CC2)C1=O ZINC000981011026 839333101 /nfs/dbraw/zinc/33/31/01/839333101.db2.gz YNNMZSGBMOXWMJ-GJZGRUSLSA-N 1 1 346.435 0.160 20 30 ECEDMO N#Cc1cccc(NCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000426618226 210159816 /nfs/dbraw/zinc/15/98/16/210159816.db2.gz DJNKLZLBZVIUBT-HNNXBMFYSA-N 1 1 329.404 0.426 20 30 ECEDMO C[N@@H+](CCNC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)C1CC1 ZINC000329081640 282379666 /nfs/dbraw/zinc/37/96/66/282379666.db2.gz RUTDZGXFIBTWEA-KRWDZBQOSA-N 1 1 338.452 0.444 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](O)COc1ccc(F)cc1 ZINC000297486182 202119490 /nfs/dbraw/zinc/11/94/90/202119490.db2.gz MYRMWYMUJNZTLJ-OAHLLOKOSA-N 1 1 337.395 0.820 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000297612472 202135471 /nfs/dbraw/zinc/13/54/71/202135471.db2.gz BJKRWLCBTVUSGL-CALCHBBNSA-N 1 1 325.412 0.668 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000272863870 201258176 /nfs/dbraw/zinc/25/81/76/201258176.db2.gz QUTHPMMANQSHPE-UHFFFAOYSA-N 1 1 329.466 0.927 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@@H]2CO)c(OC)c1 ZINC000274066010 201264881 /nfs/dbraw/zinc/26/48/81/201264881.db2.gz BAVKMHZIQQQFJE-BZUAXINKSA-N 1 1 337.416 0.591 20 30 ECEDMO C[C@@H](C(=O)N1CCN(c2ccccc2C#N)CC1)N1CC[NH+](C)CC1 ZINC000101671723 204017994 /nfs/dbraw/zinc/01/79/94/204017994.db2.gz RWSLSUXSKLSARF-INIZCTEOSA-N 1 1 341.459 0.843 20 30 ECEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000106921835 204220383 /nfs/dbraw/zinc/22/03/83/204220383.db2.gz ZLNZVZVYMVTJFB-CQSZACIVSA-N 1 1 343.431 0.040 20 30 ECEDMO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)S(C)(=O)=O ZINC000265035335 247150139 /nfs/dbraw/zinc/15/01/39/247150139.db2.gz NOLXQGHDWKZKRZ-ZDUSSCGKSA-N 1 1 337.445 0.882 20 30 ECEDMO COCC[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000444167132 211054802 /nfs/dbraw/zinc/05/48/02/211054802.db2.gz KSVCHEFYGOWQLT-UHFFFAOYSA-N 1 1 342.377 0.323 20 30 ECEDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000444167132 211054807 /nfs/dbraw/zinc/05/48/07/211054807.db2.gz KSVCHEFYGOWQLT-UHFFFAOYSA-N 1 1 342.377 0.323 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NCc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000413095965 208283347 /nfs/dbraw/zinc/28/33/47/208283347.db2.gz ATEBDHNCKVDRME-HNNXBMFYSA-N 1 1 330.388 0.804 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000330590280 254639875 /nfs/dbraw/zinc/63/98/75/254639875.db2.gz QBEQYQNNHBNLKB-MJBXVCDLSA-N 1 1 327.425 0.895 20 30 ECEDMO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000343625826 254688181 /nfs/dbraw/zinc/68/81/81/254688181.db2.gz LGGYNZAJSQIEAD-RBSFLKMASA-N 1 1 348.472 0.912 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000425910342 254785050 /nfs/dbraw/zinc/78/50/50/254785050.db2.gz VFAWGVVXVGPFRZ-GJZGRUSLSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1=O ZINC000496632686 255116570 /nfs/dbraw/zinc/11/65/70/255116570.db2.gz MLWZGGJNTRDFLW-GUYCJALGSA-N 1 1 341.452 0.981 20 30 ECEDMO CC(C)(C(N)=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000266848535 263179411 /nfs/dbraw/zinc/17/94/11/263179411.db2.gz BTYAOJKORAYHLQ-OAHLLOKOSA-N 1 1 346.431 0.179 20 30 ECEDMO N#Cc1cccnc1N1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000270453857 263244046 /nfs/dbraw/zinc/24/40/46/263244046.db2.gz LIMBHFVTJAUXMI-UHFFFAOYSA-N 1 1 332.364 0.270 20 30 ECEDMO COC(C[N@@H+](CCCO)C[C@H](O)COc1ccc(C#N)cc1)OC ZINC000272740142 263367910 /nfs/dbraw/zinc/36/79/10/263367910.db2.gz GWFJESFDTQTQJI-HNNXBMFYSA-N 1 1 338.404 0.601 20 30 ECEDMO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000283094498 264083214 /nfs/dbraw/zinc/08/32/14/264083214.db2.gz AJFHVCGGZZFOHO-UHFFFAOYSA-N 1 1 344.415 0.355 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)c1ccc(C#N)cc1 ZINC000283967106 264174877 /nfs/dbraw/zinc/17/48/77/264174877.db2.gz LGEUZNCZGPWZJC-CYBMUJFWSA-N 1 1 346.456 0.900 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000284371580 264205237 /nfs/dbraw/zinc/20/52/37/264205237.db2.gz RIIPIKWSDVRRPU-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000272884878 270005496 /nfs/dbraw/zinc/00/54/96/270005496.db2.gz IAKGCNRJQYAIIB-CQSZACIVSA-N 1 1 338.415 0.949 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000529159820 270008211 /nfs/dbraw/zinc/00/82/11/270008211.db2.gz IJLCKHIZSDJGRZ-MRXNPFEDSA-N 1 1 337.383 0.981 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cnccc2C#N)CC1 ZINC000341761833 266057636 /nfs/dbraw/zinc/05/76/36/266057636.db2.gz IRDOVSGLWXYDSC-UHFFFAOYSA-N 1 1 329.404 0.674 20 30 ECEDMO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@@H](C)OC ZINC000361568144 266103947 /nfs/dbraw/zinc/10/39/47/266103947.db2.gz YHTRKRSWEKDUKX-CYBMUJFWSA-N 1 1 349.435 0.860 20 30 ECEDMO CC[N@@H+](CCNC(=O)N1CCC(n2cnc(C#N)n2)CC1)C1CC1 ZINC000366317559 266125793 /nfs/dbraw/zinc/12/57/93/266125793.db2.gz OXAXJLMKCTXNAQ-UHFFFAOYSA-N 1 1 331.424 0.981 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000356074997 266152621 /nfs/dbraw/zinc/15/26/21/266152621.db2.gz HLOKAGOVZTVSOZ-HNNXBMFYSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000356074997 266152623 /nfs/dbraw/zinc/15/26/23/266152623.db2.gz HLOKAGOVZTVSOZ-HNNXBMFYSA-N 1 1 329.404 0.323 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001077969210 782038715 /nfs/dbraw/zinc/03/87/15/782038715.db2.gz BYBGEPBOFLDTRW-KKUMJFAQSA-N 1 1 325.453 0.930 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cnn(C)c2C#N)CC1 ZINC000355473319 267028657 /nfs/dbraw/zinc/02/86/57/267028657.db2.gz ZAIPBCXZDGQTBH-GASCZTMLSA-N 1 1 344.463 0.922 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+]([C@@H](C)CN3CCOCC3)CC2)c1C#N ZINC000530361202 268091151 /nfs/dbraw/zinc/09/11/51/268091151.db2.gz BTPKUBCJJOQNDH-AWEZNQCLSA-N 1 1 332.452 0.443 20 30 ECEDMO Cc1nn(C)c(N2CCN([C@@H](C)C[NH+]3CCOCC3)CC2)c1C#N ZINC000530361202 268091154 /nfs/dbraw/zinc/09/11/54/268091154.db2.gz BTPKUBCJJOQNDH-AWEZNQCLSA-N 1 1 332.452 0.443 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c(F)c1 ZINC000340948401 268134999 /nfs/dbraw/zinc/13/49/99/268134999.db2.gz BXTHXGZXQGWGNR-ZDUSSCGKSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c(F)c1 ZINC000340948401 268135001 /nfs/dbraw/zinc/13/50/01/268135001.db2.gz BXTHXGZXQGWGNR-ZDUSSCGKSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1 ZINC000371354093 268135005 /nfs/dbraw/zinc/13/50/05/268135005.db2.gz KUZVDAZMGXTXOC-HOTGVXAUSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc1 ZINC000371354093 268135007 /nfs/dbraw/zinc/13/50/07/268135007.db2.gz KUZVDAZMGXTXOC-HOTGVXAUSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000336869813 268178480 /nfs/dbraw/zinc/17/84/80/268178480.db2.gz FCGXDQGLCJABOD-UONOGXRCSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000340151392 268249698 /nfs/dbraw/zinc/24/96/98/268249698.db2.gz XMVPAXJIDQXQKU-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1cccc(CNC(=O)CN2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000375012041 268250944 /nfs/dbraw/zinc/25/09/44/268250944.db2.gz JFQZKNDYKHBYQR-KRWDZBQOSA-N 1 1 328.416 0.581 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000348484056 268277921 /nfs/dbraw/zinc/27/79/21/268277921.db2.gz KORWGSXQIAVQMG-ZDUSSCGKSA-N 1 1 336.417 0.640 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000528369660 268301876 /nfs/dbraw/zinc/30/18/76/268301876.db2.gz XFDNJUUZUFMWIC-MRXNPFEDSA-N 1 1 339.399 0.910 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000064442090 275379377 /nfs/dbraw/zinc/37/93/77/275379377.db2.gz HHUDBUOLQWCRCV-HNNXBMFYSA-N 1 1 341.411 0.968 20 30 ECEDMO C=CC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000423639203 276881155 /nfs/dbraw/zinc/88/11/55/276881155.db2.gz JBGVCOHLVBNDPM-MRXNPFEDSA-N 1 1 328.416 0.979 20 30 ECEDMO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000092617518 277057950 /nfs/dbraw/zinc/05/79/50/277057950.db2.gz OKKGMNOFHSYPQV-DLBZAZTESA-N 1 1 349.479 0.279 20 30 ECEDMO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000092617518 277057951 /nfs/dbraw/zinc/05/79/51/277057951.db2.gz OKKGMNOFHSYPQV-DLBZAZTESA-N 1 1 349.479 0.279 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000330238614 277102318 /nfs/dbraw/zinc/10/23/18/277102318.db2.gz IANZAOAEMSESDP-QWHCGFSZSA-N 1 1 325.457 0.135 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000330722902 437599417 /nfs/dbraw/zinc/59/94/17/437599417.db2.gz YRICTCRFOXRUCQ-GJZGRUSLSA-N 1 1 336.436 0.318 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000340213927 437604008 /nfs/dbraw/zinc/60/40/08/437604008.db2.gz SGRFLRKLTJBUGS-XHSDSOJGSA-N 1 1 337.464 0.932 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000330751466 437605051 /nfs/dbraw/zinc/60/50/51/437605051.db2.gz WYHHBFOFGPOPEC-KGLIPLIRSA-N 1 1 326.441 0.421 20 30 ECEDMO C[C@H](CNC(=O)N1CCO[C@]2(CCO[C@H]2C)C1)C[NH+]1CCOCC1 ZINC000329927537 289394203 /nfs/dbraw/zinc/39/42/03/289394203.db2.gz XAPRSPVZGKGXHV-HLLBOEOZSA-N 1 1 341.452 0.749 20 30 ECEDMO C[C@H](CNC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1)C[NH+]1CCOCC1 ZINC000329998839 289394296 /nfs/dbraw/zinc/39/42/96/289394296.db2.gz SZITWRYQKCTZCM-HLLBOEOZSA-N 1 1 341.452 0.749 20 30 ECEDMO CN(CC(C)(C)C#N)C(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000423634400 289494062 /nfs/dbraw/zinc/49/40/62/289494062.db2.gz CONMNEWSWJGAOT-AWEZNQCLSA-N 1 1 329.404 0.563 20 30 ECEDMO CCOC[C@@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000330785811 437615113 /nfs/dbraw/zinc/61/51/13/437615113.db2.gz UNXRLHNPQTYRFA-CQSZACIVSA-N 1 1 340.468 0.859 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1O ZINC001077977940 782058686 /nfs/dbraw/zinc/05/86/86/782058686.db2.gz XCPRXFMCVPUIHA-MGPQQGTHSA-N 1 1 335.404 0.456 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC1(O)CCOCC1 ZINC000329381363 300241627 /nfs/dbraw/zinc/24/16/27/300241627.db2.gz QHDFAYMQFFYSIP-AWEZNQCLSA-N 1 1 343.468 0.609 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000076992077 436223553 /nfs/dbraw/zinc/22/35/53/436223553.db2.gz PEPCAUXJANIERU-HZPDHXFCSA-N 1 1 337.464 0.980 20 30 ECEDMO N#CCN1CCC(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000078112325 436260784 /nfs/dbraw/zinc/26/07/84/436260784.db2.gz DOIVHUSGJCDBHE-GOSISDBHSA-N 1 1 342.443 0.992 20 30 ECEDMO N#CCN1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000078112325 436260790 /nfs/dbraw/zinc/26/07/90/436260790.db2.gz DOIVHUSGJCDBHE-GOSISDBHSA-N 1 1 342.443 0.992 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000081283309 436340390 /nfs/dbraw/zinc/34/03/90/436340390.db2.gz DOMUSVXLXCRKTH-HNNXBMFYSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000081283309 436340395 /nfs/dbraw/zinc/34/03/95/436340395.db2.gz DOMUSVXLXCRKTH-HNNXBMFYSA-N 1 1 329.404 0.323 20 30 ECEDMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000086446693 436393607 /nfs/dbraw/zinc/39/36/07/436393607.db2.gz NIAVIWQPFCRJGG-ZDUSSCGKSA-N 1 1 332.408 0.583 20 30 ECEDMO C#CCN(C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000091218057 436445499 /nfs/dbraw/zinc/44/54/99/436445499.db2.gz YJKCEPGNDFMPMA-TZMCWYRMSA-N 1 1 327.450 0.301 20 30 ECEDMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052799678 436516722 /nfs/dbraw/zinc/51/67/22/436516722.db2.gz MDFRAJLYCZUEOU-CYBMUJFWSA-N 1 1 329.404 0.914 20 30 ECEDMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000092806100 436475957 /nfs/dbraw/zinc/47/59/57/436475957.db2.gz VLBTULGKHHZRNP-ZDUSSCGKSA-N 1 1 330.454 0.151 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000092807445 436477295 /nfs/dbraw/zinc/47/72/95/436477295.db2.gz VOHRUSHYIAMDIL-UHFFFAOYSA-N 1 1 342.399 0.977 20 30 ECEDMO C[NH+]1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000054148029 436546735 /nfs/dbraw/zinc/54/67/35/436546735.db2.gz ONUQRXXNAORGEH-UHFFFAOYSA-N 1 1 335.429 0.683 20 30 ECEDMO COc1ccc(CNC(=[NH2+])NC[C@H](C)N2CCN(C)CC2)cc1OC ZINC000104182703 436557578 /nfs/dbraw/zinc/55/75/78/436557578.db2.gz KWMFNPMCVFTBIG-AWEZNQCLSA-N 1 1 349.479 0.744 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000054994293 436564170 /nfs/dbraw/zinc/56/41/70/436564170.db2.gz DLTXPLANIOWCSQ-MRXNPFEDSA-N 1 1 337.464 0.982 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000055209203 436569153 /nfs/dbraw/zinc/56/91/53/436569153.db2.gz WWHCZNYVAFJHGS-OAHLLOKOSA-N 1 1 349.456 0.812 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1(C#N)CCOCC1 ZINC000109143113 436623792 /nfs/dbraw/zinc/62/37/92/436623792.db2.gz ZCBSWGGOFQIJBU-CQSZACIVSA-N 1 1 336.436 0.366 20 30 ECEDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000116888411 436654456 /nfs/dbraw/zinc/65/44/56/436654456.db2.gz CCSRUUCXMNYBJY-CYBMUJFWSA-N 1 1 336.417 0.510 20 30 ECEDMO CCS(=O)(=O)N(C)C1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000066879903 436697709 /nfs/dbraw/zinc/69/77/09/436697709.db2.gz BMEFUAIMAWYREH-CYBMUJFWSA-N 1 1 344.481 0.493 20 30 ECEDMO CCN(C1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1)S(C)(=O)=O ZINC000066883572 436699876 /nfs/dbraw/zinc/69/98/76/436699876.db2.gz TVACGEZTHJGFSN-CYBMUJFWSA-N 1 1 344.481 0.493 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000118121875 436661351 /nfs/dbraw/zinc/66/13/51/436661351.db2.gz BUMKVRIOWZDBJT-UHFFFAOYSA-N 1 1 346.431 0.997 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000152874486 436743311 /nfs/dbraw/zinc/74/33/11/436743311.db2.gz VBQYBWNFPVFIAM-MRXNPFEDSA-N 1 1 326.400 0.937 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000068845942 436756929 /nfs/dbraw/zinc/75/69/29/436756929.db2.gz INPCKQBGXXAHCX-MRXNPFEDSA-N 1 1 339.399 0.910 20 30 ECEDMO C=CCNC(=O)NC(=O)CN[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249276514 436817250 /nfs/dbraw/zinc/81/72/50/436817250.db2.gz KBSXBWMLAOTSFC-LSDHHAIUSA-N 1 1 340.468 0.725 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000245901380 436769651 /nfs/dbraw/zinc/76/96/51/436769651.db2.gz LFRGWGTURANOEL-HUUCEWRRSA-N 1 1 340.468 0.819 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCOC[C@H]2C#N)CC1=O ZINC000246706718 436785093 /nfs/dbraw/zinc/78/50/93/436785093.db2.gz FLANJZVDESKKGO-RBSFLKMASA-N 1 1 334.420 0.070 20 30 ECEDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC[C@H]21 ZINC000246940194 436787603 /nfs/dbraw/zinc/78/76/03/436787603.db2.gz GVFINYSAGRYCFZ-UONOGXRCSA-N 1 1 344.419 0.678 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000273941620 436789376 /nfs/dbraw/zinc/78/93/76/436789376.db2.gz GLMHJKIGWJFJRZ-HOTGVXAUSA-N 1 1 344.415 0.834 20 30 ECEDMO C[N@@H+](CC(=O)N1CCOCC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000274029153 436794312 /nfs/dbraw/zinc/79/43/12/436794312.db2.gz CCUWOGIBGKGYTL-OAHLLOKOSA-N 1 1 333.388 0.089 20 30 ECEDMO C[N@H+](CC(=O)N1CCOCC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000274029153 436794315 /nfs/dbraw/zinc/79/43/15/436794315.db2.gz CCUWOGIBGKGYTL-OAHLLOKOSA-N 1 1 333.388 0.089 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000127264899 436798447 /nfs/dbraw/zinc/79/84/47/436798447.db2.gz KKFKRTZZTAOEFN-UHFFFAOYSA-N 1 1 328.416 0.653 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000293400583 436873739 /nfs/dbraw/zinc/87/37/39/436873739.db2.gz OJOWIVHYGVHVPP-HSZRJFAPSA-N 1 1 335.429 0.434 20 30 ECEDMO C[C@H](CN1CCOCC1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000279716876 436835757 /nfs/dbraw/zinc/83/57/57/436835757.db2.gz LBWKRSSMXVEAGW-OAHLLOKOSA-N 1 1 330.432 0.827 20 30 ECEDMO C[C@H](CN1CCOCC1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000279716876 436835762 /nfs/dbraw/zinc/83/57/62/436835762.db2.gz LBWKRSSMXVEAGW-OAHLLOKOSA-N 1 1 330.432 0.827 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262254655 436918896 /nfs/dbraw/zinc/91/88/96/436918896.db2.gz QLVWEIYDMHBLDT-IRXDYDNUSA-N 1 1 348.491 0.767 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000293473124 436881309 /nfs/dbraw/zinc/88/13/09/436881309.db2.gz LYBIOQWCOHQCBH-UHFFFAOYSA-N 1 1 343.383 0.313 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)NC[C@](C)(O)c1cc(C)oc1C ZINC000261928513 436896913 /nfs/dbraw/zinc/89/69/13/436896913.db2.gz JJTNZKAPKYEEHW-YJBOKZPZSA-N 1 1 349.479 0.269 20 30 ECEDMO C[N@@H+](CCOCCC#N)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000293722576 436902451 /nfs/dbraw/zinc/90/24/51/436902451.db2.gz YQDOGYJIFCOBQG-UHFFFAOYSA-N 1 1 327.406 0.575 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000293795916 436910482 /nfs/dbraw/zinc/91/04/82/436910482.db2.gz MXIPIRKICIDLJL-UHFFFAOYSA-N 1 1 329.353 0.967 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000293795916 436910485 /nfs/dbraw/zinc/91/04/85/436910485.db2.gz MXIPIRKICIDLJL-UHFFFAOYSA-N 1 1 329.353 0.967 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000171213121 436972736 /nfs/dbraw/zinc/97/27/36/436972736.db2.gz URWNJQSOGZMOOJ-UHFFFAOYSA-N 1 1 346.435 0.363 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000294026067 436929273 /nfs/dbraw/zinc/92/92/73/436929273.db2.gz QYOHRZCXULBXJE-UHFFFAOYSA-N 1 1 349.865 0.734 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000294034347 436929283 /nfs/dbraw/zinc/92/92/83/436929283.db2.gz RVXJZLYLVQCBNK-DOTOQJQBSA-N 1 1 328.416 0.672 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000294048836 436929790 /nfs/dbraw/zinc/92/97/90/436929790.db2.gz UBJBYWSDDAYDNI-AWEZNQCLSA-N 1 1 341.415 0.396 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000294048858 436930323 /nfs/dbraw/zinc/93/03/23/436930323.db2.gz UBNYDDXXZSPJIP-UHFFFAOYSA-N 1 1 343.474 0.683 20 30 ECEDMO C[C@]1(C(N)=O)CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000281153363 436950454 /nfs/dbraw/zinc/95/04/54/436950454.db2.gz OPOAXBWNAUSCFO-DYVFJYSZSA-N 1 1 326.356 0.387 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000294560997 436960052 /nfs/dbraw/zinc/96/00/52/436960052.db2.gz NISZFGUBYJKVFC-INIZCTEOSA-N 1 1 343.427 0.485 20 30 ECEDMO C#Cc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000296495570 436993776 /nfs/dbraw/zinc/99/37/76/436993776.db2.gz BMWFVDBJVOOBCE-INIZCTEOSA-N 1 1 328.416 0.807 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000284111855 437040389 /nfs/dbraw/zinc/04/03/89/437040389.db2.gz CLRORRNVFCIAOK-MRXNPFEDSA-N 1 1 336.480 0.577 20 30 ECEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000284106853 437040876 /nfs/dbraw/zinc/04/08/76/437040876.db2.gz UJCUKMSODTVQQT-MRXNPFEDSA-N 1 1 328.416 0.975 20 30 ECEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000264691932 437065942 /nfs/dbraw/zinc/06/59/42/437065942.db2.gz DUYXLYHDQCIGJN-PVEMMZBWSA-N 1 1 349.435 0.686 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000284953554 437076008 /nfs/dbraw/zinc/07/60/08/437076008.db2.gz JGAGYALDLWYBJT-KDOFPFPSSA-N 1 1 344.415 0.552 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000284953554 437076013 /nfs/dbraw/zinc/07/60/13/437076013.db2.gz JGAGYALDLWYBJT-KDOFPFPSSA-N 1 1 344.415 0.552 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000286050056 437087026 /nfs/dbraw/zinc/08/70/26/437087026.db2.gz RXVLVLALGXHSJH-UHFFFAOYSA-N 1 1 332.404 0.211 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 ZINC000299635146 437097933 /nfs/dbraw/zinc/09/79/33/437097933.db2.gz OUCFUJUKLZKRCP-UHFFFAOYSA-N 1 1 335.429 0.256 20 30 ECEDMO CN(CCC[N@@H+](C)Cc1ccco1)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000286587560 437105448 /nfs/dbraw/zinc/10/54/48/437105448.db2.gz ROBDZGGTCAUDTD-UHFFFAOYSA-N 1 1 345.403 0.507 20 30 ECEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000304043534 437157667 /nfs/dbraw/zinc/15/76/67/437157667.db2.gz JBHNIKSFHYWOCR-AWEZNQCLSA-N 1 1 346.406 0.803 20 30 ECEDMO C[C@H](O)C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000305768624 437163877 /nfs/dbraw/zinc/16/38/77/437163877.db2.gz GEVVWQKXKRWHHR-KBPBESRZSA-N 1 1 336.461 0.770 20 30 ECEDMO CN1CC[NH+](Cc2ccc(C(=O)N3CCOC[C@H]3C#N)cc2)CC1 ZINC000175878406 437121426 /nfs/dbraw/zinc/12/14/26/437121426.db2.gz NIAPNWKQNXVNEN-QGZVFWFLSA-N 1 1 328.416 0.799 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000286821795 437134898 /nfs/dbraw/zinc/13/48/98/437134898.db2.gz WLSMTZJRGGYFLG-CYBMUJFWSA-N 1 1 347.463 0.922 20 30 ECEDMO CC[C@@](C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(N)=O ZINC000177133203 437171570 /nfs/dbraw/zinc/17/15/70/437171570.db2.gz LIMCSDMXMROEFU-QGZVFWFLSA-N 1 1 340.387 0.926 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc(C#N)ccn1 ZINC000287330026 437179422 /nfs/dbraw/zinc/17/94/22/437179422.db2.gz HZRRJLCKLJYTIF-OAHLLOKOSA-N 1 1 329.404 0.626 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000287404731 437185650 /nfs/dbraw/zinc/18/56/50/437185650.db2.gz QMXJTPVTVURQPM-AWEZNQCLSA-N 1 1 332.404 0.797 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000332097963 437207309 /nfs/dbraw/zinc/20/73/09/437207309.db2.gz QBJUIWKZBKIJIR-ZDUSSCGKSA-N 1 1 332.429 0.998 20 30 ECEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000266132332 437220941 /nfs/dbraw/zinc/22/09/41/437220941.db2.gz RPJPFZFJJMEFOH-JSGCOSHPSA-N 1 1 325.438 0.992 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000325387463 437229950 /nfs/dbraw/zinc/22/99/50/437229950.db2.gz BOSLIKQKAYGPSF-INMHGKMJSA-N 1 1 329.400 0.898 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000328825138 437269725 /nfs/dbraw/zinc/26/97/25/437269725.db2.gz PYBKYSPPCXCCLT-ZIAGYGMSSA-N 1 1 346.497 0.774 20 30 ECEDMO C[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC(=O)N1C ZINC000328640745 437244469 /nfs/dbraw/zinc/24/44/69/437244469.db2.gz FFQUFMLGIAAQJU-CYBMUJFWSA-N 1 1 325.457 0.089 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000328721885 437255330 /nfs/dbraw/zinc/25/53/30/437255330.db2.gz ROQLFJBLSXSHES-HUUCEWRRSA-N 1 1 335.456 0.150 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000333885762 437289869 /nfs/dbraw/zinc/28/98/69/437289869.db2.gz FRSZYNKHDONFEP-CQSZACIVSA-N 1 1 333.436 0.628 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCS2(=O)=O)[N@H+](C)C1 ZINC000328998789 437301788 /nfs/dbraw/zinc/30/17/88/437301788.db2.gz HDCOWMZFNRBUCZ-AVGNSLFASA-N 1 1 333.454 0.129 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCS2(=O)=O)[N@@H+](C)C1 ZINC000328998789 437301790 /nfs/dbraw/zinc/30/17/90/437301790.db2.gz HDCOWMZFNRBUCZ-AVGNSLFASA-N 1 1 333.454 0.129 20 30 ECEDMO COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000278762051 437340106 /nfs/dbraw/zinc/34/01/06/437340106.db2.gz VJNNDBKLDQQWSP-HOCLYGCPSA-N 1 1 334.420 0.488 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000337196951 437340141 /nfs/dbraw/zinc/34/01/41/437340141.db2.gz WRZKYHCBDXWJRG-CABCVRRESA-N 1 1 346.497 0.803 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000329253754 437340667 /nfs/dbraw/zinc/34/06/67/437340667.db2.gz ZJPGAZJACAZLFY-SNVBAGLBSA-N 1 1 326.470 1.407 20 30 ECEDMO C#CC[N@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCCC1 ZINC000182454036 437351381 /nfs/dbraw/zinc/35/13/81/437351381.db2.gz IESULZVMISPVDD-UHFFFAOYSA-N 1 1 329.404 0.312 20 30 ECEDMO CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]C[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC000329352069 437354817 /nfs/dbraw/zinc/35/48/17/437354817.db2.gz ULHGAKSFANKAAA-ZIAGYGMSSA-N 1 1 349.483 0.466 20 30 ECEDMO CC[N@@H+](CCOCCO)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000337439401 437359147 /nfs/dbraw/zinc/35/91/47/437359147.db2.gz LIKGNZCFKLVCGP-INIZCTEOSA-N 1 1 340.468 0.010 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000337422296 437359299 /nfs/dbraw/zinc/35/92/99/437359299.db2.gz QJGQLWXXNWMAGC-HUUCEWRRSA-N 1 1 330.432 0.561 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H]([C@@H](C)O)C3)CC2)o1 ZINC000183147398 437376814 /nfs/dbraw/zinc/37/68/14/437376814.db2.gz WEOSITMDZUNGBG-OCCSQVGLSA-N 1 1 347.419 0.206 20 30 ECEDMO Cn1cc[nH+]c1[C@H]1CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329415930 437365442 /nfs/dbraw/zinc/36/54/42/437365442.db2.gz DAZUKLNSOQQVDV-RWMBFGLXSA-N 1 1 331.380 0.355 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000329160634 437327576 /nfs/dbraw/zinc/32/75/76/437327576.db2.gz YISDMHKXYUZERJ-NSHDSACASA-N 1 1 331.376 0.823 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000337155128 437336632 /nfs/dbraw/zinc/33/66/32/437336632.db2.gz NNEXVTFMTQJFPF-AWEZNQCLSA-N 1 1 332.470 0.557 20 30 ECEDMO C[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000329708949 437403943 /nfs/dbraw/zinc/40/39/43/437403943.db2.gz MQBQRKQDJFCHJY-CYBMUJFWSA-N 1 1 344.481 0.495 20 30 ECEDMO C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000338803882 437419228 /nfs/dbraw/zinc/41/92/28/437419228.db2.gz BHIZILFLKMGXGN-LSDHHAIUSA-N 1 1 349.435 0.463 20 30 ECEDMO C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000338803882 437419233 /nfs/dbraw/zinc/41/92/33/437419233.db2.gz BHIZILFLKMGXGN-LSDHHAIUSA-N 1 1 349.435 0.463 20 30 ECEDMO O=C(NC1CC1)N[C@@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000329550707 437383637 /nfs/dbraw/zinc/38/36/37/437383637.db2.gz FNJZHSAGCBKASH-CYBMUJFWSA-N 1 1 341.481 0.690 20 30 ECEDMO CCO[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@@]12CCCO2 ZINC000329575299 437384749 /nfs/dbraw/zinc/38/47/49/437384749.db2.gz VNTGTQKSSIPPHT-MPTYRVRUSA-N 1 1 341.452 0.625 20 30 ECEDMO CCN1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000329646407 437397912 /nfs/dbraw/zinc/39/79/12/437397912.db2.gz AZMIPYJIIRSJQB-AWEZNQCLSA-N 1 1 326.441 0.421 20 30 ECEDMO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCn2cncc2C1 ZINC000329670860 437398440 /nfs/dbraw/zinc/39/84/40/437398440.db2.gz RXSRFWOASQAOEW-CVEARBPZSA-N 1 1 333.436 0.991 20 30 ECEDMO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329683566 437400313 /nfs/dbraw/zinc/40/03/13/437400313.db2.gz XUEWSBYGCQITNF-BEUHCMRWSA-N 1 1 329.466 0.891 20 30 ECEDMO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000338264367 437400923 /nfs/dbraw/zinc/40/09/23/437400923.db2.gz NFEMBIHIHHPOBE-OAHLLOKOSA-N 1 1 349.460 0.357 20 30 ECEDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000330209983 437469801 /nfs/dbraw/zinc/46/98/01/437469801.db2.gz IANFAAHQBKOZDH-HZSPNIEDSA-N 1 1 347.481 0.112 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@@H]1CCc2ncnn2C1 ZINC000330257113 437476401 /nfs/dbraw/zinc/47/64/01/437476401.db2.gz LEMFJINJFWVRQX-UONOGXRCSA-N 1 1 348.451 0.692 20 30 ECEDMO C[C@H](CNC(=O)Nc1ccc(C2CC2)nn1)CN1CC[NH+](C)CC1 ZINC000330038500 437447352 /nfs/dbraw/zinc/44/73/52/437447352.db2.gz BLKGZBDHWMIBJK-CYBMUJFWSA-N 1 1 332.452 1.563 20 30 ECEDMO C=CCN1C(=O)c2ccc(C(=O)NCC[N@H+](C)CCOC)cc2C1=O ZINC000339246043 437449058 /nfs/dbraw/zinc/44/90/58/437449058.db2.gz NSOVLQKMHVDGQD-UHFFFAOYSA-N 1 1 345.399 0.777 20 30 ECEDMO C=C(C)[C@H](CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)OCC ZINC000339444570 437466999 /nfs/dbraw/zinc/46/69/99/437466999.db2.gz PAQUTKHYQBNERQ-CABCVRRESA-N 1 1 346.493 0.935 20 30 ECEDMO CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330196985 437467640 /nfs/dbraw/zinc/46/76/40/437467640.db2.gz RDZFIAMSDUYPJJ-BFHYXJOUSA-N 1 1 344.481 0.493 20 30 ECEDMO CN(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330210931 437469120 /nfs/dbraw/zinc/46/91/20/437469120.db2.gz IUEUIVPTHJDJQU-NEPJUHHUSA-N 1 1 341.437 0.078 20 30 ECEDMO C[C@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCO ZINC000187740243 437512885 /nfs/dbraw/zinc/51/28/85/437512885.db2.gz ZQICBJWVZRAKDY-WMLDXEAASA-N 1 1 328.416 0.662 20 30 ECEDMO C[C@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1CCO ZINC000187740243 437512890 /nfs/dbraw/zinc/51/28/90/437512890.db2.gz ZQICBJWVZRAKDY-WMLDXEAASA-N 1 1 328.416 0.662 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000354051381 437513966 /nfs/dbraw/zinc/51/39/66/437513966.db2.gz FWLWUUPNAZMESE-CVEARBPZSA-N 1 1 335.448 0.852 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCCCC#N)CC1 ZINC000343138760 437515149 /nfs/dbraw/zinc/51/51/49/437515149.db2.gz CZPJKIUAFFQXPW-MRXNPFEDSA-N 1 1 349.479 0.425 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)ccc1F ZINC000188159629 437531440 /nfs/dbraw/zinc/53/14/40/437531440.db2.gz HNUXAPZDKQNIQJ-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)ccc1F ZINC000188159629 437531447 /nfs/dbraw/zinc/53/14/47/437531447.db2.gz HNUXAPZDKQNIQJ-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2scnc2C)CC1 ZINC000330618179 437569160 /nfs/dbraw/zinc/56/91/60/437569160.db2.gz XVOAGPYKZATNKX-UHFFFAOYSA-N 1 1 325.438 0.666 20 30 ECEDMO CN(C)C(=O)NCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000330671186 437584960 /nfs/dbraw/zinc/58/49/60/437584960.db2.gz WFLNMXDNRUKWMD-CQSZACIVSA-N 1 1 326.441 0.564 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCC[C@@H]2CCO[C@H](C)C2)CC1 ZINC000330851369 437633908 /nfs/dbraw/zinc/63/39/08/437633908.db2.gz QFCIBCJEBRAFTK-ZIAGYGMSSA-N 1 1 340.468 0.906 20 30 ECEDMO C=CCOCC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000354851164 437652718 /nfs/dbraw/zinc/65/27/18/437652718.db2.gz PIRIDYPIFFYGJZ-UHFFFAOYSA-N 1 1 331.416 0.650 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@@H](O)C2)CC1 ZINC000331014875 437670109 /nfs/dbraw/zinc/67/01/09/437670109.db2.gz LBTFXBIJUWCHRL-TZMCWYRMSA-N 1 1 326.441 0.204 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000343902183 437687138 /nfs/dbraw/zinc/68/71/38/437687138.db2.gz BOTZOZLOEYDHCB-GOEBONIOSA-N 1 1 348.491 0.885 20 30 ECEDMO CO[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1OC ZINC000331100848 437687746 /nfs/dbraw/zinc/68/77/46/437687746.db2.gz FQXCYWAHLMRHCD-SOUVJXGZSA-N 1 1 329.441 0.603 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CNc1ccc(C#N)cn1 ZINC000331302251 437737936 /nfs/dbraw/zinc/73/79/36/437737936.db2.gz VMOBXFDBQATLKC-CYBMUJFWSA-N 1 1 331.420 0.669 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 ZINC000356150766 437752205 /nfs/dbraw/zinc/75/22/05/437752205.db2.gz WQJXUHZRZFEJKN-CQSZACIVSA-N 1 1 340.387 1.107 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 ZINC000356150766 437752207 /nfs/dbraw/zinc/75/22/07/437752207.db2.gz WQJXUHZRZFEJKN-CQSZACIVSA-N 1 1 340.387 1.107 20 30 ECEDMO COCCN1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000364452426 437817425 /nfs/dbraw/zinc/81/74/25/437817425.db2.gz DZYGPIXFCQBUAH-INIZCTEOSA-N 1 1 347.415 0.479 20 30 ECEDMO COCCN1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000364452426 437817429 /nfs/dbraw/zinc/81/74/29/437817429.db2.gz DZYGPIXFCQBUAH-INIZCTEOSA-N 1 1 347.415 0.479 20 30 ECEDMO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1C#N ZINC000363218973 437776694 /nfs/dbraw/zinc/77/66/94/437776694.db2.gz NVYXSSHELGLJGU-MRXNPFEDSA-N 1 1 343.431 0.398 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000370512244 437795705 /nfs/dbraw/zinc/79/57/05/437795705.db2.gz DBIGRJYANNLMDC-HZPDHXFCSA-N 1 1 342.395 0.824 20 30 ECEDMO CCC[N@H+]1CCCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000364158038 437812138 /nfs/dbraw/zinc/81/21/38/437812138.db2.gz SCVHEWVOYVGORU-UHFFFAOYSA-N 1 1 346.435 0.988 20 30 ECEDMO C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000364990661 437840634 /nfs/dbraw/zinc/84/06/34/437840634.db2.gz HLXZENSAXSRBPW-LBPRGKRZSA-N 1 1 341.408 0.775 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000364990661 437840639 /nfs/dbraw/zinc/84/06/39/437840639.db2.gz HLXZENSAXSRBPW-LBPRGKRZSA-N 1 1 341.408 0.775 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC2(C[C@H]2c2nnc(C)o2)CC1 ZINC000370807987 437842278 /nfs/dbraw/zinc/84/22/78/437842278.db2.gz GHWVUDRPYZQNGM-LBPRGKRZSA-N 1 1 333.392 0.959 20 30 ECEDMO CCCN(CC#N)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000347200442 437851173 /nfs/dbraw/zinc/85/11/73/437851173.db2.gz JABDJQJKQZECDE-OAHLLOKOSA-N 1 1 336.436 0.462 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370896891 437855617 /nfs/dbraw/zinc/85/56/17/437855617.db2.gz DCQFXWZBWQILIW-ZIAGYGMSSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370896891 437855621 /nfs/dbraw/zinc/85/56/21/437855621.db2.gz DCQFXWZBWQILIW-ZIAGYGMSSA-N 1 1 336.436 0.864 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000341657746 437882792 /nfs/dbraw/zinc/88/27/92/437882792.db2.gz NKRGZJIYMHCFMR-OAHLLOKOSA-N 1 1 347.529 0.528 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000341657746 437882797 /nfs/dbraw/zinc/88/27/97/437882797.db2.gz NKRGZJIYMHCFMR-OAHLLOKOSA-N 1 1 347.529 0.528 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccc(C#N)nc3)CC2)CC1 ZINC000365340085 437897055 /nfs/dbraw/zinc/89/70/55/437897055.db2.gz VRRXWJTYUSVIMP-UHFFFAOYSA-N 1 1 341.415 0.579 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000357292835 437957213 /nfs/dbraw/zinc/95/72/13/437957213.db2.gz AFUZHIZWIOPUIO-CYBMUJFWSA-N 1 1 332.408 0.726 20 30 ECEDMO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000365733490 437958896 /nfs/dbraw/zinc/95/88/96/437958896.db2.gz GVUZJDOWPSZJKL-WBVHZDCISA-N 1 1 348.447 0.878 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)nn1 ZINC000424651681 437982529 /nfs/dbraw/zinc/98/25/29/437982529.db2.gz DJPOCSYRZVCNFZ-UHFFFAOYSA-N 1 1 334.468 0.858 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)C[C@@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348110731 438015731 /nfs/dbraw/zinc/01/57/31/438015731.db2.gz VNJMPZRLQMKIMC-NEPJUHHUSA-N 1 1 325.413 0.627 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348110731 438015734 /nfs/dbraw/zinc/01/57/34/438015734.db2.gz VNJMPZRLQMKIMC-NEPJUHHUSA-N 1 1 325.413 0.627 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425205117 438017620 /nfs/dbraw/zinc/01/76/20/438017620.db2.gz OGHSSSASXSPMHU-AWEZNQCLSA-N 1 1 346.497 0.755 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)nn1 ZINC000425475815 438024263 /nfs/dbraw/zinc/02/42/63/438024263.db2.gz MFGFJDYBVZKHFL-OAHLLOKOSA-N 1 1 349.483 0.537 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000425909103 438047319 /nfs/dbraw/zinc/04/73/19/438047319.db2.gz MCXQPBHCTFQMFH-IKGGRYGDSA-N 1 1 349.475 0.884 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000372393931 438083201 /nfs/dbraw/zinc/08/32/01/438083201.db2.gz YASPLBIHVBGPON-ZDUSSCGKSA-N 1 1 325.409 0.516 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428815456 438094632 /nfs/dbraw/zinc/09/46/32/438094632.db2.gz JFGJPWRTSYXTKW-GOSISDBHSA-N 1 1 345.399 0.815 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428815456 438094636 /nfs/dbraw/zinc/09/46/36/438094636.db2.gz JFGJPWRTSYXTKW-GOSISDBHSA-N 1 1 345.399 0.815 20 30 ECEDMO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366338893 438055682 /nfs/dbraw/zinc/05/56/82/438055682.db2.gz IFXALFWBSHUOPI-GFCCVEGCSA-N 1 1 347.423 0.657 20 30 ECEDMO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366422937 438071459 /nfs/dbraw/zinc/07/14/59/438071459.db2.gz TWCMEAVMWOHQJB-ZFWWWQNUSA-N 1 1 332.404 0.948 20 30 ECEDMO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366422937 438071464 /nfs/dbraw/zinc/07/14/64/438071464.db2.gz TWCMEAVMWOHQJB-ZFWWWQNUSA-N 1 1 332.404 0.948 20 30 ECEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000366438643 438075061 /nfs/dbraw/zinc/07/50/61/438075061.db2.gz LSIUMFDUZUWPBA-LSDHHAIUSA-N 1 1 340.383 0.528 20 30 ECEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000366438643 438075067 /nfs/dbraw/zinc/07/50/67/438075067.db2.gz LSIUMFDUZUWPBA-LSDHHAIUSA-N 1 1 340.383 0.528 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430384238 438110989 /nfs/dbraw/zinc/11/09/89/438110989.db2.gz IYPVYHZAVVJEBO-IMJJTQAJSA-N 1 1 335.448 0.779 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366763365 438123944 /nfs/dbraw/zinc/12/39/44/438123944.db2.gz ZLMKTVWRDOWSGK-ZIAGYGMSSA-N 1 1 331.372 0.535 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366763365 438123949 /nfs/dbraw/zinc/12/39/49/438123949.db2.gz ZLMKTVWRDOWSGK-ZIAGYGMSSA-N 1 1 331.372 0.535 20 30 ECEDMO C=CCc1ccc(OCC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC000358043813 438130402 /nfs/dbraw/zinc/13/04/02/438130402.db2.gz AUUXMOZOZSCHJI-SFHVURJKSA-N 1 1 334.416 0.985 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000367130934 438169675 /nfs/dbraw/zinc/16/96/75/438169675.db2.gz LITYDLWUIFSGLM-KFWWJZLASA-N 1 1 344.481 0.244 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000375500383 438255377 /nfs/dbraw/zinc/25/53/77/438255377.db2.gz SSWQTROWPCOEKQ-HUUCEWRRSA-N 1 1 336.436 0.175 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000375734478 438262948 /nfs/dbraw/zinc/26/29/48/438262948.db2.gz FKJBRRGGPJINBG-UHFFFAOYSA-N 1 1 332.408 0.389 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000375743628 438263032 /nfs/dbraw/zinc/26/30/32/438263032.db2.gz LHUWNFSUQLAACD-IAGOWNOFSA-N 1 1 345.447 0.911 20 30 ECEDMO CC(C)CCOCCNC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000375923240 438265654 /nfs/dbraw/zinc/26/56/54/438265654.db2.gz ZDMRYQOWWXVDAD-UHFFFAOYSA-N 1 1 348.451 0.966 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000375955842 438268751 /nfs/dbraw/zinc/26/87/51/438268751.db2.gz TUWBOAAFCLJPTO-CQSZACIVSA-N 1 1 344.481 0.700 20 30 ECEDMO C[N@H+]1CC[C@H](CNC(=O)NCC(=O)NCC#N)[C@H]1c1cccs1 ZINC000376328917 438280274 /nfs/dbraw/zinc/28/02/74/438280274.db2.gz WZTQZNORUPPZIL-RISCZKNCSA-N 1 1 335.433 0.680 20 30 ECEDMO CCOC(=O)COCC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000351541033 438284700 /nfs/dbraw/zinc/28/47/00/438284700.db2.gz XBWZJGDEUUBDOP-ZDUSSCGKSA-N 1 1 333.392 0.438 20 30 ECEDMO CCOC(=O)COCC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000351541033 438284703 /nfs/dbraw/zinc/28/47/03/438284703.db2.gz XBWZJGDEUUBDOP-ZDUSSCGKSA-N 1 1 333.392 0.438 20 30 ECEDMO Cc1cc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nn1CCC#N ZINC000368462418 438334532 /nfs/dbraw/zinc/33/45/32/438334532.db2.gz QWWMYVNBQBYZFU-ZIAGYGMSSA-N 1 1 332.408 1.090 20 30 ECEDMO C=CCOC[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C(=O)OC ZINC000435933127 438393317 /nfs/dbraw/zinc/39/33/17/438393317.db2.gz BIBBNEXMVIYDLQ-LSDHHAIUSA-N 1 1 340.420 0.490 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000359092003 438357128 /nfs/dbraw/zinc/35/71/28/438357128.db2.gz BGDZQZGPLZHSDS-UHFFFAOYSA-N 1 1 343.391 0.770 20 30 ECEDMO N#C[C@@H]1C[N@H+](CC2(O)CCOCC2)C[C@@]12C(=O)Nc1ccccc12 ZINC000378261695 438369492 /nfs/dbraw/zinc/36/94/92/438369492.db2.gz UITHKVUMXRARQL-FZKQIMNGSA-N 1 1 327.384 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420370840 438401410 /nfs/dbraw/zinc/40/14/10/438401410.db2.gz CXMLCLUIMAEPOC-NWANDNLSSA-N 1 1 338.452 0.605 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352247119 438402580 /nfs/dbraw/zinc/40/25/80/438402580.db2.gz VKBVWODFYVUFHK-UHFFFAOYSA-N 1 1 331.482 0.672 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1F ZINC000405313519 438467667 /nfs/dbraw/zinc/46/76/67/438467667.db2.gz QBAAICFPOXKDQP-NWDGAFQWSA-N 1 1 325.365 0.137 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1F ZINC000405313519 438467672 /nfs/dbraw/zinc/46/76/72/438467672.db2.gz QBAAICFPOXKDQP-NWDGAFQWSA-N 1 1 325.365 0.137 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)N1CCN(C)[C@@H](C#N)C1 ZINC000369588971 438493663 /nfs/dbraw/zinc/49/36/63/438493663.db2.gz UBWPNYSDMPPMTP-LTIDMASMSA-N 1 1 349.479 0.725 20 30 ECEDMO CO[C@@H](C)C[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000353215230 438503872 /nfs/dbraw/zinc/50/38/72/438503872.db2.gz AZAFRFSYQMKMOV-LBPRGKRZSA-N 1 1 335.408 0.470 20 30 ECEDMO CNC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422080837 438514334 /nfs/dbraw/zinc/51/43/34/438514334.db2.gz BJSUTLJVBQFFDF-TZMCWYRMSA-N 1 1 326.356 0.258 20 30 ECEDMO CNC(=O)[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422080837 438514338 /nfs/dbraw/zinc/51/43/38/438514338.db2.gz BJSUTLJVBQFFDF-TZMCWYRMSA-N 1 1 326.356 0.258 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000452101417 438640508 /nfs/dbraw/zinc/64/05/08/438640508.db2.gz GNMZUQJDCJVLBC-AWEZNQCLSA-N 1 1 332.470 0.508 20 30 ECEDMO COCC(COC)[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000414470585 438706504 /nfs/dbraw/zinc/70/65/04/438706504.db2.gz JFBUJLXQXALBCW-UHFFFAOYSA-N 1 1 343.431 0.985 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000451653347 438704304 /nfs/dbraw/zinc/70/43/04/438704304.db2.gz AMMUZMSIBVOLPI-INIZCTEOSA-N 1 1 337.445 0.824 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000505601117 438804220 /nfs/dbraw/zinc/80/42/20/438804220.db2.gz CSMNLUJPYHQCFQ-UHFFFAOYSA-N 1 1 345.447 0.977 20 30 ECEDMO CN(CCC#N)C[C@@H](O)CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000575862671 438757540 /nfs/dbraw/zinc/75/75/40/438757540.db2.gz IXPYZLZOXLHRKQ-ROUUACIJSA-N 1 1 332.448 0.871 20 30 ECEDMO COC(=O)c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(C#N)n1 ZINC000576549365 438788355 /nfs/dbraw/zinc/78/83/55/438788355.db2.gz COIZHDVVYNWDTG-CYBMUJFWSA-N 1 1 330.388 0.898 20 30 ECEDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@@H]1C ZINC000588124937 438819957 /nfs/dbraw/zinc/81/99/57/438819957.db2.gz QEGLJPKEVPQQLR-KBPBESRZSA-N 1 1 335.452 0.032 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@@H]1C ZINC000588124937 438819959 /nfs/dbraw/zinc/81/99/59/438819959.db2.gz QEGLJPKEVPQQLR-KBPBESRZSA-N 1 1 335.452 0.032 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2snc(C)c2C#N)CC1=O ZINC000601178111 438827284 /nfs/dbraw/zinc/82/72/84/438827284.db2.gz LODFXOMRCRCGAR-LBPRGKRZSA-N 1 1 337.449 0.914 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2nnc(C)c(C)c2C#N)CC1=O ZINC000601178115 438827651 /nfs/dbraw/zinc/82/76/51/438827651.db2.gz LTEZFSIRVITKPV-AWEZNQCLSA-N 1 1 346.435 0.556 20 30 ECEDMO N#CCc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000577276821 438828857 /nfs/dbraw/zinc/82/88/57/438828857.db2.gz FHHIHEADLHASQJ-INIZCTEOSA-N 1 1 343.431 0.892 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595608702 438834729 /nfs/dbraw/zinc/83/47/29/438834729.db2.gz UCNVPVWPFKGYEY-OAHLLOKOSA-N 1 1 345.428 0.946 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595608702 438834733 /nfs/dbraw/zinc/83/47/33/438834733.db2.gz UCNVPVWPFKGYEY-OAHLLOKOSA-N 1 1 345.428 0.946 20 30 ECEDMO C[NH+]1CCN(C(=O)CN2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595631190 438836591 /nfs/dbraw/zinc/83/65/91/438836591.db2.gz AZATZXJEVSJWRX-UHFFFAOYSA-N 1 1 333.461 0.516 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)CC1 ZINC000595636036 438838533 /nfs/dbraw/zinc/83/85/33/438838533.db2.gz QVCKFMZLACLIQZ-XWTMOSNGSA-N 1 1 348.491 0.772 20 30 ECEDMO C=CCN(C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000578182063 438902943 /nfs/dbraw/zinc/90/29/43/438902943.db2.gz VTCBIZSUQNBBIB-KBPBESRZSA-N 1 1 337.445 0.956 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000589189724 438860166 /nfs/dbraw/zinc/86/01/66/438860166.db2.gz IGYYDLWJOCZJET-MRXNPFEDSA-N 1 1 342.399 0.642 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000563236804 438861398 /nfs/dbraw/zinc/86/13/98/438861398.db2.gz WJJNSFRINKODOJ-HNNXBMFYSA-N 1 1 345.447 0.200 20 30 ECEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000563255434 438862625 /nfs/dbraw/zinc/86/26/25/438862625.db2.gz HLCYUEFCPPIBKO-HUUCEWRRSA-N 1 1 342.465 0.119 20 30 ECEDMO Cc1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)nc(C)n1 ZINC000577743493 438868208 /nfs/dbraw/zinc/86/82/08/438868208.db2.gz QKZXGEXRBMJNKI-UHFFFAOYSA-N 1 1 331.401 0.924 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000589408534 438870305 /nfs/dbraw/zinc/87/03/05/438870305.db2.gz YTZNAKVSYZXMCX-HZMBPMFUSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000589408534 438870310 /nfs/dbraw/zinc/87/03/10/438870310.db2.gz YTZNAKVSYZXMCX-HZMBPMFUSA-N 1 1 334.351 0.471 20 30 ECEDMO N#Cc1ccc([C@H](C(N)=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595862947 438873202 /nfs/dbraw/zinc/87/32/02/438873202.db2.gz IREBLUDJLWHAIN-IAGOWNOFSA-N 1 1 328.416 0.616 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccccc1CC#N ZINC000601417091 438884822 /nfs/dbraw/zinc/88/48/22/438884822.db2.gz KNLRFAKDOUQIJQ-UHFFFAOYSA-N 1 1 338.477 0.914 20 30 ECEDMO CN(CCCNS(=O)(=O)c1ccccc1CC#N)CC[NH+](C)C ZINC000601417091 438884828 /nfs/dbraw/zinc/88/48/28/438884828.db2.gz KNLRFAKDOUQIJQ-UHFFFAOYSA-N 1 1 338.477 0.914 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000601425167 438888563 /nfs/dbraw/zinc/88/85/63/438888563.db2.gz LRTAXBXZFRLRQD-HNNXBMFYSA-N 1 1 337.445 0.878 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000601425167 438888567 /nfs/dbraw/zinc/88/85/67/438888567.db2.gz LRTAXBXZFRLRQD-HNNXBMFYSA-N 1 1 337.445 0.878 20 30 ECEDMO Cn1c(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c(C#N)c(=O)n(C)c1=O ZINC000596480277 438968934 /nfs/dbraw/zinc/96/89/34/438968934.db2.gz XYODARXLOMUQBH-GFCCVEGCSA-N 1 1 331.420 0.775 20 30 ECEDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000517742499 438975173 /nfs/dbraw/zinc/97/51/73/438975173.db2.gz GGAMEBUYHLOLDE-AWEZNQCLSA-N 1 1 327.436 0.717 20 30 ECEDMO Cc1nsc(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1C#N ZINC000459585294 438977861 /nfs/dbraw/zinc/97/78/61/438977861.db2.gz OZYSOGINMYHIKJ-AWEZNQCLSA-N 1 1 339.421 0.528 20 30 ECEDMO CN1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)NC1=O ZINC000596695928 438992250 /nfs/dbraw/zinc/99/22/50/438992250.db2.gz YQYMTRRWKZWMRV-MRXNPFEDSA-N 1 1 341.415 0.616 20 30 ECEDMO CN1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)NC1=O ZINC000596695928 438992255 /nfs/dbraw/zinc/99/22/55/438992255.db2.gz YQYMTRRWKZWMRV-MRXNPFEDSA-N 1 1 341.415 0.616 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](O)[C@H](CO)C2)c(OC)c1 ZINC000459719840 438994142 /nfs/dbraw/zinc/99/41/42/438994142.db2.gz YEAAJKZNLMFFMX-XHSDSOJGSA-N 1 1 337.416 0.448 20 30 ECEDMO C[N@@H+](CCNC(=O)C(=O)N1CCN(CCC#N)CC1)C1CCCC1 ZINC000602240727 439046544 /nfs/dbraw/zinc/04/65/44/439046544.db2.gz NDPLFKMSGCGPGK-UHFFFAOYSA-N 1 1 335.452 0.035 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000459986854 439050129 /nfs/dbraw/zinc/05/01/29/439050129.db2.gz GSJDJTVLTMCWOA-UHFFFAOYSA-N 1 1 338.496 0.895 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000459986854 439050131 /nfs/dbraw/zinc/05/01/31/439050131.db2.gz GSJDJTVLTMCWOA-UHFFFAOYSA-N 1 1 338.496 0.895 20 30 ECEDMO CCN(C(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1CC[N@@H+](C)C1 ZINC000597240964 439062093 /nfs/dbraw/zinc/06/20/93/439062093.db2.gz BCFJEUYXPVHEQD-AWEZNQCLSA-N 1 1 332.379 0.866 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000519176849 439024360 /nfs/dbraw/zinc/02/43/60/439024360.db2.gz LIAGITFMYCGBKS-INIZCTEOSA-N 1 1 332.448 0.878 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000488020275 439170004 /nfs/dbraw/zinc/17/00/04/439170004.db2.gz BNBKQZDRLDZVLE-MSOLQXFVSA-N 1 1 349.523 0.951 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000488020290 439170026 /nfs/dbraw/zinc/17/00/26/439170026.db2.gz BNBKQZDRLDZVLE-ZWKOTPCHSA-N 1 1 349.523 0.951 20 30 ECEDMO Cc1ncc(CNC(=O)CC[NH+]2CCN(C(=O)CC#N)CC2)s1 ZINC000602839509 439141939 /nfs/dbraw/zinc/14/19/39/439141939.db2.gz FYZCSEGSLIODMM-UHFFFAOYSA-N 1 1 335.433 0.516 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CC[N@@H+]1CC(C)(C)O ZINC000567611760 439157278 /nfs/dbraw/zinc/15/72/78/439157278.db2.gz IQONRPMZUNYYDI-GFCCVEGCSA-N 1 1 345.403 0.195 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CC[N@H+]1CC(C)(C)O ZINC000567611760 439157282 /nfs/dbraw/zinc/15/72/82/439157282.db2.gz IQONRPMZUNYYDI-GFCCVEGCSA-N 1 1 345.403 0.195 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602923844 439162612 /nfs/dbraw/zinc/16/26/12/439162612.db2.gz JTHAMNNHTCMGQJ-NWANDNLSSA-N 1 1 333.388 0.511 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602923844 439162619 /nfs/dbraw/zinc/16/26/19/439162619.db2.gz JTHAMNNHTCMGQJ-NWANDNLSSA-N 1 1 333.388 0.511 20 30 ECEDMO N#CC[C@@]1(O)CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000592146295 439163515 /nfs/dbraw/zinc/16/35/15/439163515.db2.gz GXWXBWXTVLCLPM-LJQANCHMSA-N 1 1 342.443 0.681 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(C#N)n2)C1 ZINC000592289695 439193345 /nfs/dbraw/zinc/19/33/45/439193345.db2.gz QKWFDQPPHZDIHO-TZMCWYRMSA-N 1 1 327.388 0.834 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(C#N)n2)C1 ZINC000592289689 439193707 /nfs/dbraw/zinc/19/37/07/439193707.db2.gz QKWFDQPPHZDIHO-GXTWGEPZSA-N 1 1 327.388 0.834 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(CC#N)cc2)C1 ZINC000592335059 439206423 /nfs/dbraw/zinc/20/64/23/439206423.db2.gz MBRSQCNMWQYFCR-INIZCTEOSA-N 1 1 344.415 0.206 20 30 ECEDMO C=CCCCS(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000489722255 439239517 /nfs/dbraw/zinc/23/95/17/439239517.db2.gz POUQEPPNXLMUDP-UHFFFAOYSA-N 1 1 332.466 0.442 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603408504 439256935 /nfs/dbraw/zinc/25/69/35/439256935.db2.gz DJKYQIBDQRWWGP-INIZCTEOSA-N 1 1 345.447 0.423 20 30 ECEDMO N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000603434613 439261065 /nfs/dbraw/zinc/26/10/65/439261065.db2.gz DSTVUIGZKPEFBN-BBWFWOEESA-N 1 1 349.479 0.774 20 30 ECEDMO C#CCN(C(=S)NC[C@@H]1CCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC000490556629 439272684 /nfs/dbraw/zinc/27/26/84/439272684.db2.gz OFADBYHXTZONSY-KBPBESRZSA-N 1 1 343.518 0.468 20 30 ECEDMO C#CCN(C(=S)NC[C@@H]1CCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC000490556629 439272690 /nfs/dbraw/zinc/27/26/90/439272690.db2.gz OFADBYHXTZONSY-KBPBESRZSA-N 1 1 343.518 0.468 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)ncc1C#N ZINC000569256275 439317366 /nfs/dbraw/zinc/31/73/66/439317366.db2.gz GVGSHCWKQRJQKI-CQSZACIVSA-N 1 1 327.388 0.895 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000598824339 439317918 /nfs/dbraw/zinc/31/79/18/439317918.db2.gz MIAJTYVSSDMLII-HIFRSBDPSA-N 1 1 339.436 0.553 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000598824339 439317922 /nfs/dbraw/zinc/31/79/22/439317922.db2.gz MIAJTYVSSDMLII-HIFRSBDPSA-N 1 1 339.436 0.553 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000490973328 439319967 /nfs/dbraw/zinc/31/99/67/439319967.db2.gz KGYVCTLCDSYPPT-FQEVSTJZSA-N 1 1 339.439 0.895 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000490973328 439319970 /nfs/dbraw/zinc/31/99/70/439319970.db2.gz KGYVCTLCDSYPPT-FQEVSTJZSA-N 1 1 339.439 0.895 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000491070523 439328139 /nfs/dbraw/zinc/32/81/39/439328139.db2.gz CVOBOHFYIVLCCY-NWDGAFQWSA-N 1 1 333.354 0.905 20 30 ECEDMO N#CCNC(=O)CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000593066931 439337530 /nfs/dbraw/zinc/33/75/30/439337530.db2.gz ISUFEBXFASFBFC-DLBZAZTESA-N 1 1 328.416 0.601 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@](O)(CC#N)C2)CC1=O ZINC000592844409 439288744 /nfs/dbraw/zinc/28/87/44/439288744.db2.gz JOOWKMZKYZFDHZ-RKVPGOIHSA-N 1 1 348.447 0.196 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000490900172 439310609 /nfs/dbraw/zinc/31/06/09/439310609.db2.gz UAQNOVYHBSPSQO-CQSZACIVSA-N 1 1 336.413 0.849 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCn1ncc(=O)c2ccccc21 ZINC000491266909 439360878 /nfs/dbraw/zinc/36/08/78/439360878.db2.gz RDSKJPOJRMWLFH-UHFFFAOYSA-N 1 1 326.400 0.858 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@](C(=O)OCC)(C(C)C)C2)CC1 ZINC000491286345 439363465 /nfs/dbraw/zinc/36/34/65/439363465.db2.gz HZHNUPWZKZZSJH-LJQANCHMSA-N 1 1 349.475 0.675 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593094382 439339535 /nfs/dbraw/zinc/33/95/35/439339535.db2.gz ZSASZJNJNFESCE-INIZCTEOSA-N 1 1 330.432 0.857 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000491192376 439346810 /nfs/dbraw/zinc/34/68/10/439346810.db2.gz NTOJERCPWITFQX-HNNXBMFYSA-N 1 1 334.464 0.888 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)ncc1C#N ZINC000582674606 439367094 /nfs/dbraw/zinc/36/70/94/439367094.db2.gz MGPAMPZGEWWAST-AWEZNQCLSA-N 1 1 345.403 0.163 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCNC(=O)c1ccc(C)cc1 ZINC000491619778 439413374 /nfs/dbraw/zinc/41/33/74/439413374.db2.gz BTWHBCQNOMVVQG-UHFFFAOYSA-N 1 1 330.432 0.979 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000491627200 439415399 /nfs/dbraw/zinc/41/53/99/439415399.db2.gz JXJSMMHKQIHIPI-UHFFFAOYSA-N 1 1 326.444 0.416 20 30 ECEDMO C[C@H](CS(C)(=O)=O)[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000599292970 439421991 /nfs/dbraw/zinc/42/19/91/439421991.db2.gz MHUPRNPDKNDZON-HIFRSBDPSA-N 1 1 344.477 0.955 20 30 ECEDMO C[C@H](CS(C)(=O)=O)[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000599292970 439421995 /nfs/dbraw/zinc/42/19/95/439421995.db2.gz MHUPRNPDKNDZON-HIFRSBDPSA-N 1 1 344.477 0.955 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)/C=C\c1ccc(S(N)(=O)=O)cc1 ZINC000491660225 439422514 /nfs/dbraw/zinc/42/25/14/439422514.db2.gz OCDQYTZWMXQULF-YFHOEESVSA-N 1 1 335.429 0.419 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000491666957 439423527 /nfs/dbraw/zinc/42/35/27/439423527.db2.gz KKDDIJUZFGXXKC-FGTMMUONSA-N 1 1 332.492 0.426 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O ZINC000491670114 439424357 /nfs/dbraw/zinc/42/43/57/439424357.db2.gz DBHPGRMWKKONCI-LJQANCHMSA-N 1 1 343.427 0.465 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C(=O)NCCc1ccccc1 ZINC000491708074 439433414 /nfs/dbraw/zinc/43/34/14/439433414.db2.gz MQXLBLYJXFMBAQ-INIZCTEOSA-N 1 1 344.459 0.988 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000491725067 439435381 /nfs/dbraw/zinc/43/53/81/439435381.db2.gz CUBIMELJYWPBHW-LSDHHAIUSA-N 1 1 341.477 0.693 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000491725067 439435384 /nfs/dbraw/zinc/43/53/84/439435384.db2.gz CUBIMELJYWPBHW-LSDHHAIUSA-N 1 1 341.477 0.693 20 30 ECEDMO C#CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC000491718741 439435983 /nfs/dbraw/zinc/43/59/83/439435983.db2.gz WBGTUMWGUWKRBK-QGZVFWFLSA-N 1 1 349.475 0.864 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)nn1CCC#N ZINC000593657017 439437833 /nfs/dbraw/zinc/43/78/33/439437833.db2.gz KREOOXPLWAPZER-UHFFFAOYSA-N 1 1 348.451 1.138 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000599569855 439510007 /nfs/dbraw/zinc/51/00/07/439510007.db2.gz PQCRMWSQMZZZHT-GUYCJALGSA-N 1 1 337.420 0.981 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000599569855 439510013 /nfs/dbraw/zinc/51/00/13/439510013.db2.gz PQCRMWSQMZZZHT-GUYCJALGSA-N 1 1 337.420 0.981 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599435831 439468246 /nfs/dbraw/zinc/46/82/46/439468246.db2.gz BWWKBUHEEBJOCH-KGLIPLIRSA-N 1 1 342.461 0.896 20 30 ECEDMO COC[C@H]1CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000532573229 439517770 /nfs/dbraw/zinc/51/77/70/439517770.db2.gz NHXRMUFIKJSHNL-AWEZNQCLSA-N 1 1 347.419 0.472 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ncc1C#N ZINC000594295826 439536800 /nfs/dbraw/zinc/53/68/00/439536800.db2.gz WJYXRYNQFDPOIH-GXTWGEPZSA-N 1 1 329.404 0.999 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000540349656 439548622 /nfs/dbraw/zinc/54/86/22/439548622.db2.gz FGYTZOBNBHNIEJ-ZWKOTPCHSA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](C)C2)n1 ZINC000540267087 439549252 /nfs/dbraw/zinc/54/92/52/439549252.db2.gz KVKHNJRZXPAZOJ-GFCCVEGCSA-N 1 1 332.408 0.732 20 30 ECEDMO CC[N@@H+](CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C1CC1 ZINC000541900928 439554829 /nfs/dbraw/zinc/55/48/29/439554829.db2.gz NXHITHKFXJIFQE-UHFFFAOYSA-N 1 1 333.440 0.922 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000531812185 439514381 /nfs/dbraw/zinc/51/43/81/439514381.db2.gz KWAILLIBTLJEPI-GOEBONIOSA-N 1 1 349.479 0.099 20 30 ECEDMO COC(=O)[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@H](C)O1 ZINC000599604289 439516847 /nfs/dbraw/zinc/51/68/47/439516847.db2.gz GCZYADRSOJONKM-MCIONIFRSA-N 1 1 326.393 0.320 20 30 ECEDMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@H](C)O1 ZINC000599604289 439516852 /nfs/dbraw/zinc/51/68/52/439516852.db2.gz GCZYADRSOJONKM-MCIONIFRSA-N 1 1 326.393 0.320 20 30 ECEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594477584 439567275 /nfs/dbraw/zinc/56/72/75/439567275.db2.gz GOKQKVCVVJPWDN-QWHCGFSZSA-N 1 1 341.820 0.651 20 30 ECEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594477584 439567279 /nfs/dbraw/zinc/56/72/79/439567279.db2.gz GOKQKVCVVJPWDN-QWHCGFSZSA-N 1 1 341.820 0.651 20 30 ECEDMO CN(CCCc1[nH]nc(N)c1C#N)c1cc[nH+]c(N2CCOCC2)n1 ZINC000544678866 439567654 /nfs/dbraw/zinc/56/76/54/439567654.db2.gz LFIVIIPUSYUNJQ-UHFFFAOYSA-N 1 1 342.407 0.559 20 30 ECEDMO N#CCCCS(=O)(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609543991 439575358 /nfs/dbraw/zinc/57/53/58/439575358.db2.gz SHVURYGCQLYWAF-ZDUSSCGKSA-N 1 1 328.438 0.034 20 30 ECEDMO N#CCCCS(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609543991 439575361 /nfs/dbraw/zinc/57/53/61/439575361.db2.gz SHVURYGCQLYWAF-ZDUSSCGKSA-N 1 1 328.438 0.034 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)C1 ZINC000609686270 439584661 /nfs/dbraw/zinc/58/46/61/439584661.db2.gz XZWWUKADINWVBC-QGZVFWFLSA-N 1 1 348.495 0.396 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)CC1 ZINC000572830988 439612541 /nfs/dbraw/zinc/61/25/41/439612541.db2.gz GKSBFVMULOYIEO-KSZLIROESA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)CC1 ZINC000572830988 439612547 /nfs/dbraw/zinc/61/25/47/439612547.db2.gz GKSBFVMULOYIEO-KSZLIROESA-N 1 1 347.507 0.847 20 30 ECEDMO C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccco1 ZINC000585684763 439643086 /nfs/dbraw/zinc/64/30/86/439643086.db2.gz APPQXENJXINAJQ-AWEZNQCLSA-N 1 1 347.419 0.103 20 30 ECEDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 ZINC000595194538 439672325 /nfs/dbraw/zinc/67/23/25/439672325.db2.gz PBNSVEFEHOUDDH-CYBMUJFWSA-N 1 1 332.408 0.644 20 30 ECEDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Cn1cnc(C#N)n1 ZINC000573502656 439650240 /nfs/dbraw/zinc/65/02/40/439650240.db2.gz UFFDSULOEAHVFA-ZDUSSCGKSA-N 1 1 326.360 0.331 20 30 ECEDMO CCN(C(=O)C(=O)Nc1cc(C)nn1CCC#N)[C@@H]1CC[N@@H+](C)C1 ZINC000595102460 439653350 /nfs/dbraw/zinc/65/33/50/439653350.db2.gz IHROHKYMWIIIPI-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)s1 ZINC000610521813 439623470 /nfs/dbraw/zinc/62/34/70/439623470.db2.gz BHNKPVUXJWFJNV-ZDUSSCGKSA-N 1 1 334.445 0.756 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)s1 ZINC000610521813 439623474 /nfs/dbraw/zinc/62/34/74/439623474.db2.gz BHNKPVUXJWFJNV-ZDUSSCGKSA-N 1 1 334.445 0.756 20 30 ECEDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)CC#N ZINC000594842258 439627264 /nfs/dbraw/zinc/62/72/64/439627264.db2.gz DNKXKTATXFEKDR-UHFFFAOYSA-N 1 1 332.470 0.208 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000600825027 439707178 /nfs/dbraw/zinc/70/71/78/439707178.db2.gz RIZWPVUEXUHVGF-CYBMUJFWSA-N 1 1 328.420 0.870 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@@H](O)C[C@@](C)(O)C3CC3)CC2)c1C#N ZINC000600846121 439710873 /nfs/dbraw/zinc/71/08/73/439710873.db2.gz MEJXERWPKANWOM-MAUKXSAKSA-N 1 1 347.463 0.634 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)o1 ZINC000595384444 439718027 /nfs/dbraw/zinc/71/80/27/439718027.db2.gz LKDFUWFRZYBUQA-LBPRGKRZSA-N 1 1 325.390 0.371 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CC[N@H+](C2CC2)C1 ZINC000574636137 439718717 /nfs/dbraw/zinc/71/87/17/439718717.db2.gz IOJRKYYXAGAQMC-GFCCVEGCSA-N 1 1 327.388 0.834 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000613629298 439760163 /nfs/dbraw/zinc/76/01/63/439760163.db2.gz IPSXFKMSKFOKHX-KRWDZBQOSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000612721113 439737717 /nfs/dbraw/zinc/73/77/17/439737717.db2.gz UHLAAKZIZJOMLQ-KRWDZBQOSA-N 1 1 344.459 0.563 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(CC[N@H+](C[C@@H](C)O)C3)C2)nn1 ZINC001041732273 782077440 /nfs/dbraw/zinc/07/74/40/782077440.db2.gz GZQBFURWRAFKBR-PBHICJAKSA-N 1 1 333.436 0.773 20 30 ECEDMO COC(=O)CN1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000616113218 439811799 /nfs/dbraw/zinc/81/17/99/439811799.db2.gz IBBGESBOIRKRPJ-INIZCTEOSA-N 1 1 347.415 0.283 20 30 ECEDMO C=CCCS(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641695750 439901307 /nfs/dbraw/zinc/90/13/07/439901307.db2.gz HBFCXSMEUCJYHN-OAHLLOKOSA-N 1 1 331.482 0.279 20 30 ECEDMO C=CCCS(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641695750 439901311 /nfs/dbraw/zinc/90/13/11/439901311.db2.gz HBFCXSMEUCJYHN-OAHLLOKOSA-N 1 1 331.482 0.279 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000636584181 439944959 /nfs/dbraw/zinc/94/49/59/439944959.db2.gz VMFRKLRWFIFDFI-HNNXBMFYSA-N 1 1 338.496 0.705 20 30 ECEDMO C=CCCn1cc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)nn1 ZINC000653588446 440211450 /nfs/dbraw/zinc/21/14/50/440211450.db2.gz WREKXIPVIFPESA-INIZCTEOSA-N 1 1 332.452 0.768 20 30 ECEDMO C=CCn1c(COCCOC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000634339639 440646576 /nfs/dbraw/zinc/64/65/76/440646576.db2.gz MMLHNRBWYJMYIT-AWEZNQCLSA-N 1 1 337.424 0.148 20 30 ECEDMO C=CCn1c(COCCOC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000634339639 440646584 /nfs/dbraw/zinc/64/65/84/440646584.db2.gz MMLHNRBWYJMYIT-AWEZNQCLSA-N 1 1 337.424 0.148 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000645243420 440767849 /nfs/dbraw/zinc/76/78/49/440767849.db2.gz KLSWBQRCETTZEN-CABCVRRESA-N 1 1 338.452 0.003 20 30 ECEDMO C=CC[C@H]1CC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639889511 440825709 /nfs/dbraw/zinc/82/57/09/440825709.db2.gz FYVDPPOPTBNFLD-ZDUSSCGKSA-N 1 1 329.466 0.425 20 30 ECEDMO C=C(C)C[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1=O ZINC000630972504 440993683 /nfs/dbraw/zinc/99/36/83/440993683.db2.gz LSKSFNJGYFXBEW-UONOGXRCSA-N 1 1 336.436 0.816 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000326791085 320722598 /nfs/dbraw/zinc/72/25/98/320722598.db2.gz XDWJYMIHSXJKRQ-MRXNPFEDSA-N 1 1 339.399 0.910 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(-n4ccnc4)nn3)C2)C1 ZINC001041737444 782087878 /nfs/dbraw/zinc/08/78/78/782087878.db2.gz KYFZDNHFAGVDQM-SFHVURJKSA-N 1 1 336.399 0.834 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001077991725 782090697 /nfs/dbraw/zinc/09/06/97/782090697.db2.gz UOKJATHNUOCCJH-QDIHITRGSA-N 1 1 335.448 0.066 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000560318371 322232976 /nfs/dbraw/zinc/23/29/76/322232976.db2.gz HXRIQSPVAKALDG-HNNXBMFYSA-N 1 1 341.415 0.640 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000564035680 322358654 /nfs/dbraw/zinc/35/86/54/322358654.db2.gz YSMXTVDVDHVUNI-IBGZPJMESA-N 1 1 346.475 0.615 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000564424001 322374407 /nfs/dbraw/zinc/37/44/07/322374407.db2.gz OXNTVINMKNYGJI-ZDUSSCGKSA-N 1 1 348.428 0.189 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCCOC1 ZINC000329241673 546017401 /nfs/dbraw/zinc/01/74/01/546017401.db2.gz RWHPFDRPEJJABD-GJZGRUSLSA-N 1 1 339.436 0.835 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCOC3(CCOCC3)C2)C1 ZINC000330205038 546041241 /nfs/dbraw/zinc/04/12/41/546041241.db2.gz CCVHVRVGZLJMSS-GJZGRUSLSA-N 1 1 341.452 0.939 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1COCCO1 ZINC000330272936 546042255 /nfs/dbraw/zinc/04/22/55/546042255.db2.gz YJXTUHMOCCTEFL-ZFWWWQNUSA-N 1 1 327.425 0.501 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)n1cnc(C#N)n1 ZINC000619597070 546344964 /nfs/dbraw/zinc/34/49/64/546344964.db2.gz STWRMZJNVBNSLG-MCIONIFRSA-N 1 1 332.408 0.470 20 30 ECEDMO C=CCCOCC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000620176134 546418211 /nfs/dbraw/zinc/41/82/11/546418211.db2.gz URGLHOYQDFYQMO-UHFFFAOYSA-N 1 1 333.436 0.698 20 30 ECEDMO CC(C)C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(N)=O ZINC000625078711 547017913 /nfs/dbraw/zinc/01/79/13/547017913.db2.gz UUFVTEVXFMOXRS-UHFFFAOYSA-N 1 1 327.384 0.729 20 30 ECEDMO CC(C)C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(N)=O ZINC000625078711 547017914 /nfs/dbraw/zinc/01/79/14/547017914.db2.gz UUFVTEVXFMOXRS-UHFFFAOYSA-N 1 1 327.384 0.729 20 30 ECEDMO CC(C)C(=O)NCC[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625280504 547060228 /nfs/dbraw/zinc/06/02/28/547060228.db2.gz JRBRGMSJNGUMOL-UHFFFAOYSA-N 1 1 341.411 0.990 20 30 ECEDMO CC(C)C(=O)NCC[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625280504 547060232 /nfs/dbraw/zinc/06/02/32/547060232.db2.gz JRBRGMSJNGUMOL-UHFFFAOYSA-N 1 1 341.411 0.990 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000625695755 547203760 /nfs/dbraw/zinc/20/37/60/547203760.db2.gz FXSXFBXYADNNFR-HNNXBMFYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000668529556 547678627 /nfs/dbraw/zinc/67/86/27/547678627.db2.gz MFHBNMMVSRPHHN-HNNXBMFYSA-N 1 1 338.452 0.126 20 30 ECEDMO C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[NH+](CCOC)CC1 ZINC000669333399 547877745 /nfs/dbraw/zinc/87/77/45/547877745.db2.gz QDFNUYGJELSQSU-UHFFFAOYSA-N 1 1 346.439 0.418 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679512658 549100877 /nfs/dbraw/zinc/10/08/77/549100877.db2.gz JZVJQGVVFREZJX-LBPRGKRZSA-N 1 1 329.360 0.507 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)cn1 ZINC001078032398 782179830 /nfs/dbraw/zinc/17/98/30/782179830.db2.gz LZUPYTHEGBQEDN-GVDBMIGSSA-N 1 1 343.427 0.653 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C[N@H+]1C1CC1 ZINC000753705264 579404513 /nfs/dbraw/zinc/40/45/13/579404513.db2.gz JNIHKOPDCGMAFH-KBQZLJMJSA-N 1 1 332.404 0.644 20 30 ECEDMO N#Cc1c(N2CC[NH+]([C@H]3CCOC3)CC2)cccc1S(N)(=O)=O ZINC000755025909 579427947 /nfs/dbraw/zinc/42/79/47/579427947.db2.gz HWIJKJAOZUJWEW-LBPRGKRZSA-N 1 1 336.417 0.117 20 30 ECEDMO CC[C@@]1(C)NC(=O)N(N=Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000755553332 579435088 /nfs/dbraw/zinc/43/50/88/579435088.db2.gz CGNDPTFJLHYVKS-MRXNPFEDSA-N 1 1 345.407 0.283 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000759426228 579490960 /nfs/dbraw/zinc/49/09/60/579490960.db2.gz NHCIJWBKLUUDGZ-QGZVFWFLSA-N 1 1 329.448 0.643 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000759426228 579490962 /nfs/dbraw/zinc/49/09/62/579490962.db2.gz NHCIJWBKLUUDGZ-QGZVFWFLSA-N 1 1 329.448 0.643 20 30 ECEDMO CCN1CC[NH+](CCC(=O)NCCNc2ccc(C#N)cn2)CC1 ZINC000725883822 578134485 /nfs/dbraw/zinc/13/44/85/578134485.db2.gz QOWMJSDSECNVGJ-UHFFFAOYSA-N 1 1 330.436 0.509 20 30 ECEDMO N#CCn1c(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc2ccccc21 ZINC000729515472 578296595 /nfs/dbraw/zinc/29/65/95/578296595.db2.gz FKWSIPMOVNXADF-UHFFFAOYSA-N 1 1 339.399 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000730097802 578303237 /nfs/dbraw/zinc/30/32/37/578303237.db2.gz KLQOYIBTQYOGRW-RDJZCZTQSA-N 1 1 337.489 0.408 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000730097802 578303238 /nfs/dbraw/zinc/30/32/38/578303238.db2.gz KLQOYIBTQYOGRW-RDJZCZTQSA-N 1 1 337.489 0.408 20 30 ECEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNc1ccc(C#N)cn1 ZINC000730116602 578303601 /nfs/dbraw/zinc/30/36/01/578303601.db2.gz RHQZFIGDISIDHH-CQSZACIVSA-N 1 1 345.451 0.300 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000730278226 578304472 /nfs/dbraw/zinc/30/44/72/578304472.db2.gz NVQDTVBWXFJFFL-AWEZNQCLSA-N 1 1 345.399 0.273 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000730278226 578304473 /nfs/dbraw/zinc/30/44/73/578304473.db2.gz NVQDTVBWXFJFFL-AWEZNQCLSA-N 1 1 345.399 0.273 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000732068676 578318762 /nfs/dbraw/zinc/31/87/62/578318762.db2.gz FNIBCLZCLVWBCZ-CJNGLKHVSA-N 1 1 349.456 0.870 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000732068676 578318763 /nfs/dbraw/zinc/31/87/63/578318763.db2.gz FNIBCLZCLVWBCZ-CJNGLKHVSA-N 1 1 349.456 0.870 20 30 ECEDMO CCOCC[NH+]1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 ZINC000732445085 578325412 /nfs/dbraw/zinc/32/54/12/578325412.db2.gz CBGWGNQZLHEQCK-UHFFFAOYSA-N 1 1 346.435 0.729 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000795084508 578604681 /nfs/dbraw/zinc/60/46/81/578604681.db2.gz DIVCMIKELLIKCD-CABCVRRESA-N 1 1 335.429 0.894 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC(C)=C[C@@H](C)C2)c1=O ZINC000797419921 578633861 /nfs/dbraw/zinc/63/38/61/578633861.db2.gz UTURBVIADGEAJM-CYBMUJFWSA-N 1 1 332.404 0.399 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC(C)=C[C@@H](C)C2)c1=O ZINC000797419921 578633862 /nfs/dbraw/zinc/63/38/62/578633862.db2.gz UTURBVIADGEAJM-CYBMUJFWSA-N 1 1 332.404 0.399 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)C[C@H]2CC=CCC2)c1=O ZINC000784011658 578748468 /nfs/dbraw/zinc/74/84/68/578748468.db2.gz CKQXNRGZADPILK-HNNXBMFYSA-N 1 1 346.431 0.789 20 30 ECEDMO C#CCCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787479768 578808054 /nfs/dbraw/zinc/80/80/54/578808054.db2.gz XDWMAMWFRAVBAC-UHFFFAOYSA-N 1 1 325.372 0.722 20 30 ECEDMO CC1(C)OCC(CO)([NH2+]CC(=O)NC2(C#N)CCCCC2)CO1 ZINC000787997900 578825244 /nfs/dbraw/zinc/82/52/44/578825244.db2.gz DLEVSUIQGZBTSQ-UHFFFAOYSA-N 1 1 325.409 0.433 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000788774976 578843635 /nfs/dbraw/zinc/84/36/35/578843635.db2.gz JSCGDJDOTDMJCB-JTQLQIEISA-N 1 1 330.226 0.612 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000790266484 578870905 /nfs/dbraw/zinc/87/09/05/578870905.db2.gz YTFWRUQOYNKGNS-WDEREUQCSA-N 1 1 330.226 0.754 20 30 ECEDMO C[C@@H](NC(=O)NCCNc1ccc(C#N)cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000769974289 579156940 /nfs/dbraw/zinc/15/69/40/579156940.db2.gz UJPTYIKENIOZCD-OCCSQVGLSA-N 1 1 332.408 0.383 20 30 ECEDMO C[C@@H](NC(=O)NCCNc1ccc(C#N)cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000769974289 579156942 /nfs/dbraw/zinc/15/69/42/579156942.db2.gz UJPTYIKENIOZCD-OCCSQVGLSA-N 1 1 332.408 0.383 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@H]1CCCO1 ZINC000773781952 579233478 /nfs/dbraw/zinc/23/34/78/579233478.db2.gz AHMFWBQZPCXWBU-UONOGXRCSA-N 1 1 339.355 0.503 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[C@@H]1CCCO1 ZINC000773791984 579234010 /nfs/dbraw/zinc/23/40/10/579234010.db2.gz PBVJSYQHFQRLJL-HOTGVXAUSA-N 1 1 327.384 0.868 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[C@@H]1CCCO1 ZINC000773791984 579234012 /nfs/dbraw/zinc/23/40/12/579234012.db2.gz PBVJSYQHFQRLJL-HOTGVXAUSA-N 1 1 327.384 0.868 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)[C@@H]1CCCO1 ZINC000775785345 579271202 /nfs/dbraw/zinc/27/12/02/579271202.db2.gz OKROOEHPLZHLDZ-SJORKVTESA-N 1 1 349.475 0.862 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)[C@H]1CCCO1 ZINC000775785343 579271243 /nfs/dbraw/zinc/27/12/43/579271243.db2.gz OKROOEHPLZHLDZ-IAGOWNOFSA-N 1 1 349.475 0.862 20 30 ECEDMO C#C[C@@H]([NH2+]Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)[C@H]1CCCO1 ZINC000775788571 579271260 /nfs/dbraw/zinc/27/12/60/579271260.db2.gz HGLFDWVDZCKBLM-ZIAGYGMSSA-N 1 1 344.371 0.882 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)NC1CCN(C(=O)OCC)CC1)[C@H]1CCCO1 ZINC000775788986 579271262 /nfs/dbraw/zinc/27/12/62/579271262.db2.gz ADWLHELKWGRDJX-HUUCEWRRSA-N 1 1 337.420 0.494 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000776592788 579285373 /nfs/dbraw/zinc/28/53/73/579285373.db2.gz NAUQQOWDOSSIIR-UHFFFAOYSA-N 1 1 344.459 0.565 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000776592297 579285403 /nfs/dbraw/zinc/28/54/03/579285403.db2.gz DYEKLNQYPMEHLN-KRWDZBQOSA-N 1 1 327.428 0.747 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2ccccc2CC#N)CC1 ZINC000777401533 579297841 /nfs/dbraw/zinc/29/78/41/579297841.db2.gz VGJQXYFWKCIRHW-UHFFFAOYSA-N 1 1 328.416 0.575 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000762310594 579540103 /nfs/dbraw/zinc/54/01/03/579540103.db2.gz RKORQFMAVQDIRC-KRWDZBQOSA-N 1 1 328.416 0.706 20 30 ECEDMO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NCC#N)cc2F)CC1 ZINC000741344885 579772659 /nfs/dbraw/zinc/77/26/59/579772659.db2.gz LREBVTHEAKPGIG-UHFFFAOYSA-N 1 1 348.378 0.764 20 30 ECEDMO C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000746045049 579830765 /nfs/dbraw/zinc/83/07/65/579830765.db2.gz CGKLXBRUXVFUSB-CYBMUJFWSA-N 1 1 330.388 0.985 20 30 ECEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746274547 579835031 /nfs/dbraw/zinc/83/50/31/579835031.db2.gz YABCNOZIVGOONU-CMTMBAJVSA-N 1 1 334.420 0.703 20 30 ECEDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC[C@H]21 ZINC000746447452 579839429 /nfs/dbraw/zinc/83/94/29/579839429.db2.gz ZDECPTXHHXWTNR-GXTWGEPZSA-N 1 1 330.392 0.288 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000836489454 588931670 /nfs/dbraw/zinc/93/16/70/588931670.db2.gz ZYRJZNFCMGACMB-UKRRQHHQSA-N 1 1 346.435 0.168 20 30 ECEDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCNc1ncccc1C#N ZINC000837857092 588963337 /nfs/dbraw/zinc/96/33/37/588963337.db2.gz PKGBOTVKUAUPBS-ZDUSSCGKSA-N 1 1 332.408 0.073 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCNc1ncccc1C#N ZINC000837857092 588963339 /nfs/dbraw/zinc/96/33/39/588963339.db2.gz PKGBOTVKUAUPBS-ZDUSSCGKSA-N 1 1 332.408 0.073 20 30 ECEDMO C#CC[C@H](NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C(=O)OC ZINC000837939617 588966099 /nfs/dbraw/zinc/96/60/99/588966099.db2.gz FMQOSEHPJXXMJS-DLBZAZTESA-N 1 1 343.427 0.656 20 30 ECEDMO C#CC[C@@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C(=O)OC ZINC000837939628 588966310 /nfs/dbraw/zinc/96/63/10/588966310.db2.gz FMQOSEHPJXXMJS-SJORKVTESA-N 1 1 343.427 0.656 20 30 ECEDMO CCO[C@@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)[C@H]1OC ZINC000841607425 588996368 /nfs/dbraw/zinc/99/63/68/588996368.db2.gz FGVDSQXUCKJUFF-ZIAGYGMSSA-N 1 1 344.481 0.353 20 30 ECEDMO C=CC[C@@H]1CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000890558916 586054118 /nfs/dbraw/zinc/05/41/18/586054118.db2.gz WFLDFSVPLDLICC-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cscc3C#N)CC2)CC1 ZINC000896230284 586229697 /nfs/dbraw/zinc/22/96/97/586229697.db2.gz OMNICOCZGXMHBB-UHFFFAOYSA-N 1 1 347.444 0.745 20 30 ECEDMO C#C[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896469070 586242294 /nfs/dbraw/zinc/24/22/94/586242294.db2.gz HISDXPGOBYIEKQ-ZWKOTPCHSA-N 1 1 348.491 0.980 20 30 ECEDMO C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896560011 586253566 /nfs/dbraw/zinc/25/35/66/586253566.db2.gz KJDPFOSQGKTBDH-PBHICJAKSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CN(C)CCN1C ZINC000896560011 586253568 /nfs/dbraw/zinc/25/35/68/586253568.db2.gz KJDPFOSQGKTBDH-PBHICJAKSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896560011 586253569 /nfs/dbraw/zinc/25/35/69/586253569.db2.gz KJDPFOSQGKTBDH-PBHICJAKSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896560011 586253570 /nfs/dbraw/zinc/25/35/70/586253570.db2.gz KJDPFOSQGKTBDH-PBHICJAKSA-N 1 1 330.432 0.882 20 30 ECEDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000892818109 586293545 /nfs/dbraw/zinc/29/35/45/586293545.db2.gz IREDHGGHTVIHOG-GOEBONIOSA-N 1 1 349.431 0.897 20 30 ECEDMO N#CCN1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000892879080 586298683 /nfs/dbraw/zinc/29/86/83/586298683.db2.gz FXKXINPRZQGQEM-JKSUJKDBSA-N 1 1 335.452 0.215 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000843256170 589057258 /nfs/dbraw/zinc/05/72/58/589057258.db2.gz YHFHWTDWNJXPAN-XHSDSOJGSA-N 1 1 335.448 0.162 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000843256170 589057260 /nfs/dbraw/zinc/05/72/60/589057260.db2.gz YHFHWTDWNJXPAN-XHSDSOJGSA-N 1 1 335.448 0.162 20 30 ECEDMO C#CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000888294137 586760867 /nfs/dbraw/zinc/76/08/67/586760867.db2.gz RCQRJPSELIYMHS-SJORKVTESA-N 1 1 334.464 0.448 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000838545883 586813946 /nfs/dbraw/zinc/81/39/46/586813946.db2.gz VUJXKIPHQWUIPU-HNNXBMFYSA-N 1 1 329.466 0.715 20 30 ECEDMO C#CCCS(=O)(=O)N1CCC(C)(CN2CC[NH+](C)CC2)CC1 ZINC000808305663 586921742 /nfs/dbraw/zinc/92/17/42/586921742.db2.gz CNJIRCUEIFOCOC-UHFFFAOYSA-N 1 1 327.494 0.689 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C#N)cn1 ZINC000907195427 587024938 /nfs/dbraw/zinc/02/49/38/587024938.db2.gz ZLGHFIQARLDJJC-UHFFFAOYSA-N 1 1 325.438 0.115 20 30 ECEDMO CN(CCCNS(=O)(=O)c1ccc(C#N)cn1)CC[NH+](C)C ZINC000907195427 587024940 /nfs/dbraw/zinc/02/49/40/587024940.db2.gz ZLGHFIQARLDJJC-UHFFFAOYSA-N 1 1 325.438 0.115 20 30 ECEDMO C[C@@](C#N)(NC(=O)COC(=O)CCCC[NH+]1CCOCC1)C1CC1 ZINC000803511266 587062500 /nfs/dbraw/zinc/06/25/00/587062500.db2.gz APIQIXFKWKBZGW-KRWDZBQOSA-N 1 1 337.420 0.841 20 30 ECEDMO C[C@H](OC(=O)CCCC[NH+]1CCOCC1)C(=O)NC1(C#N)CCC1 ZINC000803513807 587062745 /nfs/dbraw/zinc/06/27/45/587062745.db2.gz VLPWROJOFDBYMA-AWEZNQCLSA-N 1 1 337.420 0.983 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)[N@@H+](C)C1CC1 ZINC000804429575 587085281 /nfs/dbraw/zinc/08/52/81/587085281.db2.gz MQBSXUCTZYYRQV-LBPRGKRZSA-N 1 1 344.419 0.080 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[C@H]1CCCO1 ZINC000809309216 587174257 /nfs/dbraw/zinc/17/42/57/587174257.db2.gz MDHSKVKMGSAKTA-QKPAOTATSA-N 1 1 333.432 0.226 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)[C@@H]1CCCO1 ZINC000809313134 587175269 /nfs/dbraw/zinc/17/52/69/587175269.db2.gz QXAZIOKMQLILTD-WCVJEAGWSA-N 1 1 335.448 0.615 20 30 ECEDMO COC(=O)CC[C@]1(C)NC(=O)N(C[NH+]2CCC(CC#N)CC2)C1=O ZINC000811762145 587225853 /nfs/dbraw/zinc/22/58/53/587225853.db2.gz PTMFTTZJZGACEU-INIZCTEOSA-N 1 1 336.392 0.833 20 30 ECEDMO C=C(Br)CNC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000840273492 587244951 /nfs/dbraw/zinc/24/49/51/587244951.db2.gz ROJFSEUBJOTUCF-SNVBAGLBSA-N 1 1 334.214 0.641 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000817839439 587388701 /nfs/dbraw/zinc/38/87/01/587388701.db2.gz LODNQXRMNNLYRS-CJNGLKHVSA-N 1 1 329.400 0.119 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000817839439 587388702 /nfs/dbraw/zinc/38/87/02/587388702.db2.gz LODNQXRMNNLYRS-CJNGLKHVSA-N 1 1 329.400 0.119 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000818599585 587440196 /nfs/dbraw/zinc/44/01/96/587440196.db2.gz ZYLFGSKWCNLQKQ-UHFFFAOYSA-N 1 1 337.445 0.622 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCS(=O)(=O)C2CC2)cc1 ZINC000819370965 587477721 /nfs/dbraw/zinc/47/77/21/587477721.db2.gz XIZVUOOQCMNMRE-UHFFFAOYSA-N 1 1 342.442 0.499 20 30 ECEDMO COc1cc(C#N)ccc1C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000820494413 587537711 /nfs/dbraw/zinc/53/77/11/587537711.db2.gz GACQGOJGFXMPQK-UHFFFAOYSA-N 1 1 328.416 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CSCN2C(=O)OCC)C1 ZINC000829581603 588331013 /nfs/dbraw/zinc/33/10/13/588331013.db2.gz BGWGLWMTRXQTQP-CHWSQXEVSA-N 1 1 325.434 0.732 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CSCN2C(=O)OCC)C1 ZINC000829581603 588331016 /nfs/dbraw/zinc/33/10/16/588331016.db2.gz BGWGLWMTRXQTQP-CHWSQXEVSA-N 1 1 325.434 0.732 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCn2c(CC3CC3)nnc2C1 ZINC000845221346 589138961 /nfs/dbraw/zinc/13/89/61/589138961.db2.gz VDMZFDDZAQEJCM-UHFFFAOYSA-N 1 1 330.436 0.711 20 30 ECEDMO C[C@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000846339176 589197235 /nfs/dbraw/zinc/19/72/35/589197235.db2.gz XRTFVLIBHINFEU-RHSMWYFYSA-N 1 1 330.432 0.686 20 30 ECEDMO CC[C@H](CC#N)[NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000846988056 589232060 /nfs/dbraw/zinc/23/20/60/589232060.db2.gz QFIQWZJHELXWTJ-GFCCVEGCSA-N 1 1 335.408 0.944 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848678079 589306179 /nfs/dbraw/zinc/30/61/79/589306179.db2.gz JDDOVRTUQCJLDK-AWEZNQCLSA-N 1 1 349.412 0.905 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000850712708 589381543 /nfs/dbraw/zinc/38/15/43/589381543.db2.gz PSNFUEFCWLSKOJ-CVEARBPZSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC000852359349 589492416 /nfs/dbraw/zinc/49/24/16/589492416.db2.gz HKWVNWSWUAJSBI-OAHLLOKOSA-N 1 1 335.452 0.531 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCC[NH+]1CCOCC1 ZINC000853205734 589536560 /nfs/dbraw/zinc/53/65/60/589536560.db2.gz JGNBEHBXSKVEJB-UHFFFAOYSA-N 1 1 339.436 0.695 20 30 ECEDMO Cc1cc(NCC[S@](C)=O)c(C#N)c(NCC[S@](C)=O)[nH+]1 ZINC000853345254 589541404 /nfs/dbraw/zinc/54/14/04/589541404.db2.gz PEGOLXWKAUUTPL-SFTDATJTSA-N 1 1 328.463 0.843 20 30 ECEDMO C#CCCN(CCOC)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000853764879 589557951 /nfs/dbraw/zinc/55/79/51/589557951.db2.gz RINJPEUODJHWDI-HNNXBMFYSA-N 1 1 338.452 0.255 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)[C@@]1(O)CCCOC1 ZINC000854094488 589571104 /nfs/dbraw/zinc/57/11/04/589571104.db2.gz SIFKYZNGMUDWDG-QGZVFWFLSA-N 1 1 325.453 0.808 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000854248263 589576698 /nfs/dbraw/zinc/57/66/98/589576698.db2.gz SHYYVYDMKYZSHA-ZIAGYGMSSA-N 1 1 341.477 0.691 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000854248263 589576700 /nfs/dbraw/zinc/57/67/00/589576700.db2.gz SHYYVYDMKYZSHA-ZIAGYGMSSA-N 1 1 341.477 0.691 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000855166270 589622162 /nfs/dbraw/zinc/62/21/62/589622162.db2.gz HKZDVAWTHAMQDI-KXEGMRRWSA-N 1 1 334.420 0.892 20 30 ECEDMO N#Cc1cccc(OCC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000856256399 589658167 /nfs/dbraw/zinc/65/81/67/589658167.db2.gz YJKNWAYFMSCMHZ-MRXNPFEDSA-N 1 1 329.400 0.995 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000867508225 589795550 /nfs/dbraw/zinc/79/55/50/589795550.db2.gz XVLNOBGDNOFCEN-UHFFFAOYSA-N 1 1 330.450 0.687 20 30 ECEDMO CN(CCc1cccc(C#N)c1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000868235895 589883091 /nfs/dbraw/zinc/88/30/91/589883091.db2.gz KFKHZZLVUNZZQQ-KRWDZBQOSA-N 1 1 329.448 0.988 20 30 ECEDMO C#CCSCCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000119159166 589972520 /nfs/dbraw/zinc/97/25/20/589972520.db2.gz ZMOQLAHAKCTBKS-HNNXBMFYSA-N 1 1 326.510 0.924 20 30 ECEDMO COC(=O)CC[NH+]1CCC(N=N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000863135563 589990411 /nfs/dbraw/zinc/99/04/11/589990411.db2.gz ZQAOJRLBVYSTJE-CYBMUJFWSA-N 1 1 331.438 0.168 20 30 ECEDMO Cc1nn(C[C@H](O)C[N@H+](C)CCC#N)c(C)c1[C@@H]1COCCN1C ZINC000871986696 590095881 /nfs/dbraw/zinc/09/58/81/590095881.db2.gz PAWUAYPOUBYYFH-CVEARBPZSA-N 1 1 335.452 0.709 20 30 ECEDMO Cc1nn(C[C@H](O)C[N@@H+](C)CCC#N)c(C)c1[C@@H]1COCCN1C ZINC000871986696 590095882 /nfs/dbraw/zinc/09/58/82/590095882.db2.gz PAWUAYPOUBYYFH-CVEARBPZSA-N 1 1 335.452 0.709 20 30 ECEDMO N#Cc1ccc(CN2C(=O)CN(C[N@H+]3C[C@@H]4COC[C@@H]4C3)C2=O)cc1 ZINC000872785278 590147637 /nfs/dbraw/zinc/14/76/37/590147637.db2.gz NPXUELZAKFVVAZ-IYBDPMFKSA-N 1 1 340.383 0.858 20 30 ECEDMO C[NH+]1CCN(N=Cc2c(Cl)nc(N)nc2N2CCOCC2)CC1 ZINC000873833334 590204649 /nfs/dbraw/zinc/20/46/49/590204649.db2.gz NGNSBCNACPTEBQ-UHFFFAOYSA-N 1 1 339.831 0.130 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)ccc1N(C)C ZINC000873895956 590209456 /nfs/dbraw/zinc/20/94/56/590209456.db2.gz JFALCBHBQUYVTC-UHFFFAOYSA-N 1 1 334.395 0.902 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)ncc1C#N ZINC000874366351 590235079 /nfs/dbraw/zinc/23/50/79/590235079.db2.gz HKTGNKNWVLYFPD-ZIAGYGMSSA-N 1 1 327.388 0.895 20 30 ECEDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000874832885 590253959 /nfs/dbraw/zinc/25/39/59/590253959.db2.gz HYBHIMKKRHZJRJ-JKSUJKDBSA-N 1 1 326.400 0.983 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000875124109 590273146 /nfs/dbraw/zinc/27/31/46/590273146.db2.gz YPKFYCKCDQWKRQ-OWCLPIDISA-N 1 1 337.464 0.768 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000879580696 590325034 /nfs/dbraw/zinc/32/50/34/590325034.db2.gz JIIRZWUHEZGNSU-BZSNNMDCSA-N 1 1 347.507 0.705 20 30 ECEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879694403 590334903 /nfs/dbraw/zinc/33/49/03/590334903.db2.gz DNZFSLLMYSSJSN-YLADIXGZSA-N 1 1 337.464 0.838 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000875918594 590346082 /nfs/dbraw/zinc/34/60/82/590346082.db2.gz UGQHKHTWPRHPFJ-OAHLLOKOSA-N 1 1 338.452 0.220 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000880068816 590364996 /nfs/dbraw/zinc/36/49/96/590364996.db2.gz KGNMYXQHSYHRHQ-RCCFBDPRSA-N 1 1 345.443 0.633 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880502051 590398442 /nfs/dbraw/zinc/39/84/42/590398442.db2.gz NYBPMVVOYIQZKB-IBGZPJMESA-N 1 1 341.411 0.239 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880502051 590398446 /nfs/dbraw/zinc/39/84/46/590398446.db2.gz NYBPMVVOYIQZKB-IBGZPJMESA-N 1 1 341.411 0.239 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC)cc1 ZINC000882481283 590554006 /nfs/dbraw/zinc/55/40/06/590554006.db2.gz GQCCJSDIJJZTJO-CQSZACIVSA-N 1 1 335.429 0.422 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)co1 ZINC000882638177 590567405 /nfs/dbraw/zinc/56/74/05/590567405.db2.gz GKRDGEBGVXPZRO-HNNXBMFYSA-N 1 1 332.404 0.678 20 30 ECEDMO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](CC(=O)NCCC#N)C1 ZINC000879256985 590574627 /nfs/dbraw/zinc/57/46/27/590574627.db2.gz GTPFXKQNQUGMKI-MRXNPFEDSA-N 1 1 325.409 0.696 20 30 ECEDMO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000879256985 590574629 /nfs/dbraw/zinc/57/46/29/590574629.db2.gz GTPFXKQNQUGMKI-MRXNPFEDSA-N 1 1 325.409 0.696 20 30 ECEDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000883695455 590652400 /nfs/dbraw/zinc/65/24/00/590652400.db2.gz FEGQQUJNETWIQI-CQSZACIVSA-N 1 1 329.404 0.715 20 30 ECEDMO C[C@@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)[NH+]1CCCCCC1 ZINC000885318973 590716245 /nfs/dbraw/zinc/71/62/45/590716245.db2.gz ZNNYHKOZJJSABY-LZWOXQAQSA-N 1 1 339.461 0.648 20 30 ECEDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886201532 590811576 /nfs/dbraw/zinc/81/15/76/590811576.db2.gz IAMKQWYKJIZUNA-ZIAGYGMSSA-N 1 1 329.466 0.787 20 30 ECEDMO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000886353506 590833849 /nfs/dbraw/zinc/83/38/49/590833849.db2.gz KLWBCSFANRGCDS-ZNMIVQPWSA-N 1 1 326.462 0.756 20 30 ECEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000886353506 590833850 /nfs/dbraw/zinc/83/38/50/590833850.db2.gz KLWBCSFANRGCDS-ZNMIVQPWSA-N 1 1 326.462 0.756 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC000887050755 590931980 /nfs/dbraw/zinc/93/19/80/590931980.db2.gz FNBGPFGGJZMSRH-HWWDLCQESA-N 1 1 345.447 0.997 20 30 ECEDMO N#Cc1ccc([C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CCO2)cc1 ZINC000887731190 590994701 /nfs/dbraw/zinc/99/47/01/590994701.db2.gz KXINBQBJVIDFEV-ZWKOTPCHSA-N 1 1 340.427 0.848 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2nc(-c3ccccn3)n[nH]2)C1 ZINC000889196190 591043331 /nfs/dbraw/zinc/04/33/31/591043331.db2.gz HWWAJZHOBLAZCO-ZDUSSCGKSA-N 1 1 339.403 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2nc(-c3ccccn3)n[nH]2)C1 ZINC000889196190 591043335 /nfs/dbraw/zinc/04/33/35/591043335.db2.gz HWWAJZHOBLAZCO-ZDUSSCGKSA-N 1 1 339.403 0.764 20 30 ECEDMO N#CCc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000889805217 591098269 /nfs/dbraw/zinc/09/82/69/591098269.db2.gz BBNYXWFCJXIJNW-KBPBESRZSA-N 1 1 327.388 0.829 20 30 ECEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)C1 ZINC000889970570 591114708 /nfs/dbraw/zinc/11/47/08/591114708.db2.gz OCTUUKNRLZFCBW-CYBMUJFWSA-N 1 1 329.404 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(N3CN=NC3=O)CC2)C1 ZINC000890362217 591150642 /nfs/dbraw/zinc/15/06/42/591150642.db2.gz AGNCORPNFIOVFU-ZDUSSCGKSA-N 1 1 332.408 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(N3CN=NC3=O)CC2)C1 ZINC000890362217 591150646 /nfs/dbraw/zinc/15/06/46/591150646.db2.gz AGNCORPNFIOVFU-ZDUSSCGKSA-N 1 1 332.408 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@]2(O)C[C@H](OCC)C2(C)C)C1 ZINC000890367816 591153285 /nfs/dbraw/zinc/15/32/85/591153285.db2.gz UTNGSYNCALFDLD-RLFYNMQTSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@]2(O)C[C@H](OCC)C2(C)C)C1 ZINC000890367816 591153289 /nfs/dbraw/zinc/15/32/89/591153289.db2.gz UTNGSYNCALFDLD-RLFYNMQTSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N(C)Cc2nnc3ccccn32)C1 ZINC000890371444 591154443 /nfs/dbraw/zinc/15/44/43/591154443.db2.gz VPLCHCRGQNLKIJ-AWEZNQCLSA-N 1 1 326.404 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2nnc3ccccn32)C1 ZINC000890371444 591154445 /nfs/dbraw/zinc/15/44/45/591154445.db2.gz VPLCHCRGQNLKIJ-AWEZNQCLSA-N 1 1 326.404 0.968 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000922628616 611356530 /nfs/dbraw/zinc/35/65/30/611356530.db2.gz GMMREUGXFOMQST-ZDUSSCGKSA-N 1 1 340.424 0.792 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)CC[C@@H]2C1 ZINC000946590928 611357675 /nfs/dbraw/zinc/35/76/75/611357675.db2.gz LLYRYOLDJUWKSM-GASCZTMLSA-N 1 1 345.443 0.575 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C ZINC000947984581 611369075 /nfs/dbraw/zinc/36/90/75/611369075.db2.gz IOJMQCYSBNMQRM-DGCLKSJQSA-N 1 1 341.843 0.612 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C ZINC000947984581 611369076 /nfs/dbraw/zinc/36/90/76/611369076.db2.gz IOJMQCYSBNMQRM-DGCLKSJQSA-N 1 1 341.843 0.612 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCS3(=O)=O)CC[C@@H]2C1 ZINC000946621433 611370272 /nfs/dbraw/zinc/37/02/72/611370272.db2.gz XWKGFUNJFGXVGA-XHSDSOJGSA-N 1 1 338.473 0.757 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)C[C@@H]1C ZINC000948015909 611386126 /nfs/dbraw/zinc/38/61/26/611386126.db2.gz JETVHNCMUDHXMV-QWRGUYRKSA-N 1 1 337.811 0.911 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)C[C@@H]1C ZINC000948015909 611386129 /nfs/dbraw/zinc/38/61/29/611386129.db2.gz JETVHNCMUDHXMV-QWRGUYRKSA-N 1 1 337.811 0.911 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946668012 611403739 /nfs/dbraw/zinc/40/37/39/611403739.db2.gz LMNDBPVWAAKGFD-XHSDSOJGSA-N 1 1 338.473 0.615 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930296294 611409419 /nfs/dbraw/zinc/40/94/19/611409419.db2.gz OTMIYFGDNLNEFP-UONOGXRCSA-N 1 1 341.477 0.391 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000930296294 611409422 /nfs/dbraw/zinc/40/94/22/611409422.db2.gz OTMIYFGDNLNEFP-UONOGXRCSA-N 1 1 341.477 0.391 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)S(C)(=O)=O)CC[C@@H]2C1 ZINC000946803690 611492290 /nfs/dbraw/zinc/49/22/90/611492290.db2.gz RHNOXJGEIFHZIR-OKILXGFUSA-N 1 1 326.462 0.613 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930982461 611492770 /nfs/dbraw/zinc/49/27/70/611492770.db2.gz IIGYJYVLMQRQNN-UHFFFAOYSA-N 1 1 332.404 0.463 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000946806957 611496401 /nfs/dbraw/zinc/49/64/01/611496401.db2.gz JGRPDYGUHJTZRV-UHFFFAOYSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000947454083 611544350 /nfs/dbraw/zinc/54/43/50/611544350.db2.gz CVLPNAUQUVQAEN-CMPLNLGQSA-N 1 1 325.390 0.143 20 30 ECEDMO COC1(OC)CCOC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000931668947 611563881 /nfs/dbraw/zinc/56/38/81/611563881.db2.gz ZSLDYTFENYDWRF-CYBMUJFWSA-N 1 1 325.409 0.697 20 30 ECEDMO COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000931668949 611564121 /nfs/dbraw/zinc/56/41/21/611564121.db2.gz ZSLDYTFENYDWRF-ZDUSSCGKSA-N 1 1 325.409 0.697 20 30 ECEDMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000931888719 611582761 /nfs/dbraw/zinc/58/27/61/611582761.db2.gz QSCINLFWKWHLJY-MRXNPFEDSA-N 1 1 341.415 0.027 20 30 ECEDMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000931888719 611582762 /nfs/dbraw/zinc/58/27/62/611582762.db2.gz QSCINLFWKWHLJY-MRXNPFEDSA-N 1 1 341.415 0.027 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C ZINC000947567011 611599606 /nfs/dbraw/zinc/59/96/06/611599606.db2.gz ADABQWNMDFNUOZ-ZIAGYGMSSA-N 1 1 339.403 0.663 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC000948449905 611601778 /nfs/dbraw/zinc/60/17/78/611601778.db2.gz YBOVKKNDROCMMM-HOTGVXAUSA-N 1 1 334.464 0.143 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@H]1C ZINC000947592798 611610772 /nfs/dbraw/zinc/61/07/72/611610772.db2.gz FHVCCGVHVNFAIR-ZIAGYGMSSA-N 1 1 329.404 0.651 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1=O ZINC000927594603 611617431 /nfs/dbraw/zinc/61/74/31/611617431.db2.gz MHEUVCGRSNGEGT-CVEARBPZSA-N 1 1 327.384 0.697 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C[C@H](C)N1CC#N ZINC000927632045 611621158 /nfs/dbraw/zinc/62/11/58/611621158.db2.gz ZNUUULZPJPYMNH-HLLBOEOZSA-N 1 1 349.479 0.867 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)C[C@@H]1C ZINC000947663726 611641389 /nfs/dbraw/zinc/64/13/89/611641389.db2.gz YKMRIVMAAZGOPY-QWHCGFSZSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC000949291775 608614148 /nfs/dbraw/zinc/61/41/48/608614148.db2.gz WCZYJWOYPCGFKC-UHFFFAOYSA-N 1 1 333.432 0.326 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 ZINC000949343560 608646603 /nfs/dbraw/zinc/64/66/03/608646603.db2.gz HXQVRBFERAPOCO-OAHLLOKOSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cn2ccnc2)CC1 ZINC000947228283 608750941 /nfs/dbraw/zinc/75/09/41/608750941.db2.gz MLKKKZBZRQIVJS-INIZCTEOSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cn2ccnc2)CC1 ZINC000947228283 608750943 /nfs/dbraw/zinc/75/09/43/608750943.db2.gz MLKKKZBZRQIVJS-INIZCTEOSA-N 1 1 343.431 0.088 20 30 ECEDMO COC(=O)CCN1CC[C@@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000933644528 608766783 /nfs/dbraw/zinc/76/67/83/608766783.db2.gz AFVOGQUBGFBQBH-CQSZACIVSA-N 1 1 336.388 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cc(C)no2)CC1 ZINC000947230012 608809925 /nfs/dbraw/zinc/80/99/25/608809925.db2.gz KERGVCMRTPZFSH-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cc(C)no2)CC1 ZINC000947230012 608809929 /nfs/dbraw/zinc/80/99/29/608809929.db2.gz KERGVCMRTPZFSH-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C[C@@H]2CCCO2)CC1 ZINC000947230292 608813622 /nfs/dbraw/zinc/81/36/22/608813622.db2.gz PLGSFVVWHRHLOB-IRXDYDNUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C[C@@H]2CCCO2)CC1 ZINC000947230292 608813626 /nfs/dbraw/zinc/81/36/26/608813626.db2.gz PLGSFVVWHRHLOB-IRXDYDNUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nccs1 ZINC000937501502 608830231 /nfs/dbraw/zinc/83/02/31/608830231.db2.gz BYNIETYSGJROGB-IHRRRGAJSA-N 1 1 344.440 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nccs1 ZINC000937501502 608830236 /nfs/dbraw/zinc/83/02/36/608830236.db2.gz BYNIETYSGJROGB-IHRRRGAJSA-N 1 1 344.440 0.666 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1C ZINC000947568288 608899833 /nfs/dbraw/zinc/89/98/33/608899833.db2.gz KPDBNPXVGNMNJS-QWHCGFSZSA-N 1 1 325.376 0.273 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cnnn1C ZINC000947204457 608917388 /nfs/dbraw/zinc/91/73/88/608917388.db2.gz DHKOGYFAGGVEMD-AAEUAGOBSA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cnnn1C ZINC000947204457 608917390 /nfs/dbraw/zinc/91/73/90/608917390.db2.gz DHKOGYFAGGVEMD-AAEUAGOBSA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000937064735 608946655 /nfs/dbraw/zinc/94/66/55/608946655.db2.gz JGOPERWVBZXYGX-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000937206681 609043424 /nfs/dbraw/zinc/04/34/24/609043424.db2.gz ASXKPQDNWPJSPD-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000937206681 609043427 /nfs/dbraw/zinc/04/34/27/609043427.db2.gz ASXKPQDNWPJSPD-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C[C@@H]1C ZINC000947760895 611680001 /nfs/dbraw/zinc/68/00/01/611680001.db2.gz BVAYMUOYYSIFBE-KBPBESRZSA-N 1 1 344.419 0.436 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC000937762936 609073945 /nfs/dbraw/zinc/07/39/45/609073945.db2.gz XSCLWKXYGPRVHA-HOCLYGCPSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC000937762936 609073946 /nfs/dbraw/zinc/07/39/46/609073946.db2.gz XSCLWKXYGPRVHA-HOCLYGCPSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1CCOCC1 ZINC000948663606 611681075 /nfs/dbraw/zinc/68/10/75/611681075.db2.gz SFAAXULOGXPFQX-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1CCOCC1 ZINC000948663606 611681078 /nfs/dbraw/zinc/68/10/78/611681078.db2.gz SFAAXULOGXPFQX-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000936343578 609086236 /nfs/dbraw/zinc/08/62/36/609086236.db2.gz BAINJXIFDCVILK-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000936343578 609086239 /nfs/dbraw/zinc/08/62/39/609086239.db2.gz BAINJXIFDCVILK-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937800101 609091067 /nfs/dbraw/zinc/09/10/67/609091067.db2.gz VSKZHDJJDYWAEP-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000937265611 609093246 /nfs/dbraw/zinc/09/32/46/609093246.db2.gz RFZMMPFHZNJELU-GJZGRUSLSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000937265611 609093248 /nfs/dbraw/zinc/09/32/48/609093248.db2.gz RFZMMPFHZNJELU-GJZGRUSLSA-N 1 1 335.448 0.304 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2C3CCC2(C(N)=O)CC3)cc1 ZINC000932932443 611686688 /nfs/dbraw/zinc/68/66/88/611686688.db2.gz JVRSWPDYIPAEBF-CSLYMUCUSA-N 1 1 329.400 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000938170539 609481737 /nfs/dbraw/zinc/48/17/37/609481737.db2.gz JWQOEXJCAUYHFK-HOTGVXAUSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000938170539 609481741 /nfs/dbraw/zinc/48/17/41/609481741.db2.gz JWQOEXJCAUYHFK-HOTGVXAUSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000938171049 609483416 /nfs/dbraw/zinc/48/34/16/609483416.db2.gz UNLYNIJQAXYOLU-HOTGVXAUSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000938171049 609483419 /nfs/dbraw/zinc/48/34/19/609483419.db2.gz UNLYNIJQAXYOLU-HOTGVXAUSA-N 1 1 331.416 0.148 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@@H]1C ZINC000947809373 611700601 /nfs/dbraw/zinc/70/06/01/611700601.db2.gz BNRUYASYCMTYDB-UONOGXRCSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000938224573 609552425 /nfs/dbraw/zinc/55/24/25/609552425.db2.gz VLUVAXSHIHVZSW-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000908013362 609637060 /nfs/dbraw/zinc/63/70/60/609637060.db2.gz BGKCEMDHPKNHMG-LSDHHAIUSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000908013362 609637062 /nfs/dbraw/zinc/63/70/62/609637062.db2.gz BGKCEMDHPKNHMG-LSDHHAIUSA-N 1 1 336.417 0.173 20 30 ECEDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000908345423 609651281 /nfs/dbraw/zinc/65/12/81/609651281.db2.gz FLVARNGRBRCHRE-CRAIPNDOSA-N 1 1 344.415 0.780 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000908352119 609651609 /nfs/dbraw/zinc/65/16/09/609651609.db2.gz USUHQGFFRQNBFG-RHSMWYFYSA-N 1 1 329.404 0.057 20 30 ECEDMO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(C#N)c1 ZINC000919974950 609667363 /nfs/dbraw/zinc/66/73/63/609667363.db2.gz RFHSLDDZUVDLTF-DZGCQCFKSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c(C#N)c1 ZINC000919974950 609667365 /nfs/dbraw/zinc/66/73/65/609667365.db2.gz RFHSLDDZUVDLTF-DZGCQCFKSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1C#N ZINC000919990981 609667497 /nfs/dbraw/zinc/66/74/97/609667497.db2.gz STYROKXGRGHHDJ-CJNGLKHVSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1C#N ZINC000919990981 609667498 /nfs/dbraw/zinc/66/74/98/609667498.db2.gz STYROKXGRGHHDJ-CJNGLKHVSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000919999579 609669801 /nfs/dbraw/zinc/66/98/01/609669801.db2.gz KJNKPKYZQGREIV-UKRRQHHQSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000919999579 609669802 /nfs/dbraw/zinc/66/98/02/609669802.db2.gz KJNKPKYZQGREIV-UKRRQHHQSA-N 1 1 336.461 0.779 20 30 ECEDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)N(C)CCC#N)C2 ZINC000920282508 609677880 /nfs/dbraw/zinc/67/78/80/609677880.db2.gz RBXMXBTXZONUIU-KBXIAJHMSA-N 1 1 344.481 0.146 20 30 ECEDMO C[N@@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@@H]1CO ZINC000913547246 609686581 /nfs/dbraw/zinc/68/65/81/609686581.db2.gz JNJVERIMBJXNDE-OAHLLOKOSA-N 1 1 344.415 0.802 20 30 ECEDMO C[N@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@@H]1CO ZINC000913547246 609686582 /nfs/dbraw/zinc/68/65/82/609686582.db2.gz JNJVERIMBJXNDE-OAHLLOKOSA-N 1 1 344.415 0.802 20 30 ECEDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000913539359 609686987 /nfs/dbraw/zinc/68/69/87/609686987.db2.gz QHPWRDPQGZUNMJ-OKILXGFUSA-N 1 1 348.428 0.142 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H]1C ZINC000947986297 609742869 /nfs/dbraw/zinc/74/28/69/609742869.db2.gz TVEZFOHXRMSQJB-NEPJUHHUSA-N 1 1 325.372 0.946 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc1 ZINC000938373670 609759744 /nfs/dbraw/zinc/75/97/44/609759744.db2.gz OGXNAKGKLSTYBR-ZBFHGGJFSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C[C@H]1C ZINC000948036209 609778763 /nfs/dbraw/zinc/77/87/63/609778763.db2.gz PEBMCKIEKYRFMT-KGLIPLIRSA-N 1 1 326.404 0.659 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000948764842 611713568 /nfs/dbraw/zinc/71/35/68/611713568.db2.gz JTALODODNRFNJM-INIZCTEOSA-N 1 1 343.431 0.690 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000914112410 609854088 /nfs/dbraw/zinc/85/40/88/609854088.db2.gz KHVPJEYWVBNSND-MRXNPFEDSA-N 1 1 330.432 0.492 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](C#N)C2)CC1 ZINC000914116238 609855320 /nfs/dbraw/zinc/85/53/20/609855320.db2.gz OHWNICWCYZXZLK-CQSZACIVSA-N 1 1 335.452 0.922 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2c(Br)cnn2C)C1 ZINC000923596527 609901017 /nfs/dbraw/zinc/90/10/17/609901017.db2.gz SPNULUVYLJOZRD-NSHDSACASA-N 1 1 339.237 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2c(Br)cnn2C)C1 ZINC000923596527 609901020 /nfs/dbraw/zinc/90/10/20/609901020.db2.gz SPNULUVYLJOZRD-NSHDSACASA-N 1 1 339.237 0.939 20 30 ECEDMO N#Cc1ccnc(N2CCN(C(=O)c3cnc(C[NH3+])s3)CC2)c1 ZINC000911636832 609901286 /nfs/dbraw/zinc/90/12/86/609901286.db2.gz SBUHGUDNRHPMCL-UHFFFAOYSA-N 1 1 328.401 0.831 20 30 ECEDMO CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000912606686 609977426 /nfs/dbraw/zinc/97/74/26/609977426.db2.gz KBEQKBQHMQKHBS-KRWDZBQOSA-N 1 1 330.432 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC000938756268 609982173 /nfs/dbraw/zinc/98/21/73/609982173.db2.gz LQELFPAEULPRSH-JYJNAYRXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC000938756268 609982177 /nfs/dbraw/zinc/98/21/77/609982177.db2.gz LQELFPAEULPRSH-JYJNAYRXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2cccn2)C1 ZINC000938756758 609982725 /nfs/dbraw/zinc/98/27/25/609982725.db2.gz XBDBQRDGTQCYIE-HOTGVXAUSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2cccn2)C1 ZINC000938756758 609982727 /nfs/dbraw/zinc/98/27/27/609982727.db2.gz XBDBQRDGTQCYIE-HOTGVXAUSA-N 1 1 343.431 0.040 20 30 ECEDMO C#C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1)C1CCOCC1 ZINC000912690903 609990518 /nfs/dbraw/zinc/99/05/18/609990518.db2.gz SBEYUCRWQFWKBL-HZPDHXFCSA-N 1 1 336.432 0.806 20 30 ECEDMO C#C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1)C1CCOCC1 ZINC000912690903 609990521 /nfs/dbraw/zinc/99/05/21/609990521.db2.gz SBEYUCRWQFWKBL-HZPDHXFCSA-N 1 1 336.432 0.806 20 30 ECEDMO N#C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000919070866 610030603 /nfs/dbraw/zinc/03/06/03/610030603.db2.gz JEDFOBQVOGMMEL-JKSUJKDBSA-N 1 1 335.452 0.338 20 30 ECEDMO N#Cc1ccc(C2(C(=O)NC[C@@]3(CO)COCC[NH2+]3)CCCC2)cc1 ZINC000913197100 610052804 /nfs/dbraw/zinc/05/28/04/610052804.db2.gz XUNLAVSFJUKSBB-GOSISDBHSA-N 1 1 343.427 0.837 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2nccs2)C1 ZINC000939281313 610143684 /nfs/dbraw/zinc/14/36/84/610143684.db2.gz AISDZBYIAPRMOC-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2nccs2)C1 ZINC000939281313 610143686 /nfs/dbraw/zinc/14/36/86/610143686.db2.gz AISDZBYIAPRMOC-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC000939893040 610165256 /nfs/dbraw/zinc/16/52/56/610165256.db2.gz HPARRHIEVGQDQW-HIFRSBDPSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC000939893040 610165258 /nfs/dbraw/zinc/16/52/58/610165258.db2.gz HPARRHIEVGQDQW-HIFRSBDPSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000940038684 610198433 /nfs/dbraw/zinc/19/84/33/610198433.db2.gz KEVUIZUKJKQQTH-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000940038684 610198435 /nfs/dbraw/zinc/19/84/35/610198435.db2.gz KEVUIZUKJKQQTH-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940098968 610207964 /nfs/dbraw/zinc/20/79/64/610207964.db2.gz OMQKCKYCUHNOLK-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000939538394 610231441 /nfs/dbraw/zinc/23/14/41/610231441.db2.gz UWMQGFOKVRLVEE-OAGGEKHMSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000939538394 610231442 /nfs/dbraw/zinc/23/14/42/610231442.db2.gz UWMQGFOKVRLVEE-OAGGEKHMSA-N 1 1 333.432 0.370 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000939544395 610232965 /nfs/dbraw/zinc/23/29/65/610232965.db2.gz LJPRLYWTNGTEFY-HUUCEWRRSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000939544395 610232967 /nfs/dbraw/zinc/23/29/67/610232967.db2.gz LJPRLYWTNGTEFY-HUUCEWRRSA-N 1 1 335.448 0.733 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000939565228 610239408 /nfs/dbraw/zinc/23/94/08/610239408.db2.gz OLLCUUIGZCWEQG-NVXWUHKLSA-N 1 1 340.427 0.688 20 30 ECEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN(C2CN(CC#N)C2)CC1 ZINC000941413867 610303425 /nfs/dbraw/zinc/30/34/25/610303425.db2.gz HVWHRXDZSAJFEN-HNNXBMFYSA-N 1 1 344.463 0.749 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431926 610312613 /nfs/dbraw/zinc/31/26/13/610312613.db2.gz WOZVOZWPADSUGS-GOSISDBHSA-N 1 1 332.492 0.713 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCOC[C@@H]3OC)CC2)C1 ZINC000941432799 610313215 /nfs/dbraw/zinc/31/32/15/610313215.db2.gz HAYJKDLINNIPKS-RDJZCZTQSA-N 1 1 337.464 0.442 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc4c(cn3)OCCO4)CC2)C1 ZINC000941440226 610316339 /nfs/dbraw/zinc/31/63/39/610316339.db2.gz FALQERUAOISZLX-UHFFFAOYSA-N 1 1 344.415 0.481 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)C1 ZINC000941442845 610317830 /nfs/dbraw/zinc/31/78/30/610317830.db2.gz FVJWFLGCIFMUBM-GOSISDBHSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cc3nc(CC)c[nH]3)CC2)C1 ZINC000941442879 610317850 /nfs/dbraw/zinc/31/78/50/610317850.db2.gz GTCCPMPGDXPKGE-UHFFFAOYSA-N 1 1 331.464 0.919 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@H+]1C ZINC000940651116 610324098 /nfs/dbraw/zinc/32/40/98/610324098.db2.gz AGHOLEYBYVCNTD-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3cnccc3OC)CC2)C1 ZINC000941450618 610325008 /nfs/dbraw/zinc/32/50/08/610325008.db2.gz BOFCSJJCPZHPSC-UHFFFAOYSA-N 1 1 342.443 0.484 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000940659475 610326756 /nfs/dbraw/zinc/32/67/56/610326756.db2.gz ZAPNUNJSCPEFAK-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)C1 ZINC000941470310 610329199 /nfs/dbraw/zinc/32/91/99/610329199.db2.gz BIPFVFXRLGHSHW-UHFFFAOYSA-N 1 1 329.448 0.776 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940692613 610332658 /nfs/dbraw/zinc/33/26/58/610332658.db2.gz AUIBWWXCPNHBNR-GJZGRUSLSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000941479832 610334823 /nfs/dbraw/zinc/33/48/23/610334823.db2.gz WWPKRMCTHQBVDC-UHFFFAOYSA-N 1 1 332.404 0.397 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4nc(C)nn4C3)CC2)C1 ZINC000941499831 610344577 /nfs/dbraw/zinc/34/45/77/610344577.db2.gz FRQMETDOIKEMME-OAHLLOKOSA-N 1 1 344.463 0.163 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H](OC)c3cnn(C)c3)CC2)C1 ZINC000941502346 610345629 /nfs/dbraw/zinc/34/56/29/610345629.db2.gz QXWUVCMMBPDKMJ-MRXNPFEDSA-N 1 1 333.436 0.122 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000940745675 610347242 /nfs/dbraw/zinc/34/72/42/610347242.db2.gz SGDZAHSRMARAPF-UKRRQHHQSA-N 1 1 343.431 0.613 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C ZINC000947895399 610361968 /nfs/dbraw/zinc/36/19/68/610361968.db2.gz MCRZNNYTBXTDTN-CHWSQXEVSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3ncccc3F)CC2)C1 ZINC000941534429 610365497 /nfs/dbraw/zinc/36/54/97/610365497.db2.gz ZJXAORUEOKTNDT-UHFFFAOYSA-N 1 1 330.407 0.615 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4cccnc43)CC2)C1 ZINC000941537741 610367303 /nfs/dbraw/zinc/36/73/03/610367303.db2.gz NRXOBZGXXUMVEC-SFHVURJKSA-N 1 1 338.455 0.963 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cccnc3OC)CC2)C1 ZINC000941545309 610370190 /nfs/dbraw/zinc/37/01/90/610370190.db2.gz WSMBFDLUJSPNNE-UHFFFAOYSA-N 1 1 328.416 0.556 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000940850891 610406191 /nfs/dbraw/zinc/40/61/91/610406191.db2.gz PDWJWJFIFAMERU-AWEZNQCLSA-N 1 1 335.452 0.765 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC000941611012 610407722 /nfs/dbraw/zinc/40/77/22/610407722.db2.gz HUQGSRMGDKHYBH-UHFFFAOYSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)C1 ZINC000941614591 610410420 /nfs/dbraw/zinc/41/04/20/610410420.db2.gz FEGHQRKXCMSZPL-IYBDPMFKSA-N 1 1 348.491 0.790 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C(C)(C)C1 ZINC000940911755 610429965 /nfs/dbraw/zinc/42/99/65/610429965.db2.gz KDSGHGJAXDIBJR-CABCVRRESA-N 1 1 329.448 0.999 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941653447 610443372 /nfs/dbraw/zinc/44/33/72/610443372.db2.gz UTHOZDUPBHHODZ-UHFFFAOYSA-N 1 1 327.428 0.031 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3noc4c3COCC4)CC2)C1 ZINC000941671305 610444548 /nfs/dbraw/zinc/44/45/48/610444548.db2.gz HMJUZVMAEDQICF-UHFFFAOYSA-N 1 1 332.404 0.375 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H](C)N3CCCCC3=O)CC2)C1 ZINC000941677919 610451175 /nfs/dbraw/zinc/45/11/75/610451175.db2.gz YOVDNCSDWOCEIM-HNNXBMFYSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)C3CCOCC3)CC2)C1 ZINC000941689714 610465210 /nfs/dbraw/zinc/46/52/10/610465210.db2.gz ABGYVNPPZZTYKL-INIZCTEOSA-N 1 1 333.476 0.901 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC000941692543 610466976 /nfs/dbraw/zinc/46/69/76/610466976.db2.gz LQYYKBJZFPCNEN-HNNXBMFYSA-N 1 1 331.464 0.928 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000940994246 610474601 /nfs/dbraw/zinc/47/46/01/610474601.db2.gz TYDPTWJDHWKVCP-HNNXBMFYSA-N 1 1 344.415 0.769 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cncs2)C1 ZINC000941029200 610505189 /nfs/dbraw/zinc/50/51/89/610505189.db2.gz SOQQCPIHEVFTEH-HIFRSBDPSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cncs2)C1 ZINC000941029200 610505190 /nfs/dbraw/zinc/50/51/90/610505190.db2.gz SOQQCPIHEVFTEH-HIFRSBDPSA-N 1 1 346.456 0.500 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](C)C1 ZINC000942548903 610508452 /nfs/dbraw/zinc/50/84/52/610508452.db2.gz ZXJNXQKOBJAYIS-WCQYABFASA-N 1 1 344.423 0.710 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942592104 610527056 /nfs/dbraw/zinc/52/70/56/610527056.db2.gz SOQZKHIIAMBETL-RISCZKNCSA-N 1 1 330.388 0.379 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000941085539 610529373 /nfs/dbraw/zinc/52/93/73/610529373.db2.gz PQOYBXAQDNNRKG-GXTWGEPZSA-N 1 1 348.451 0.429 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)CC2(C)C)nn1 ZINC000941087224 610529744 /nfs/dbraw/zinc/52/97/44/610529744.db2.gz IGTYFSBLRIWUGN-AWEZNQCLSA-N 1 1 348.451 0.431 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)CC2(C)C)nn1 ZINC000941087224 610529746 /nfs/dbraw/zinc/52/97/46/610529746.db2.gz IGTYFSBLRIWUGN-AWEZNQCLSA-N 1 1 348.451 0.431 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000941164555 610571775 /nfs/dbraw/zinc/57/17/75/610571775.db2.gz VNHGPYFCXSPLAG-CYBMUJFWSA-N 1 1 342.403 0.271 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)CC2(C)C)cn1 ZINC000941168740 610582795 /nfs/dbraw/zinc/58/27/95/610582795.db2.gz GAVKWDQXNKTOLL-HOTGVXAUSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H](C)C1 ZINC000942718189 610583412 /nfs/dbraw/zinc/58/34/12/610583412.db2.gz CHHBFRNQQCKVIA-ZIAGYGMSSA-N 1 1 330.432 0.597 20 30 ECEDMO C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965483 610587717 /nfs/dbraw/zinc/58/77/17/610587717.db2.gz YDHHSIZFNNOPKW-XHDPSFHLSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965483 610587720 /nfs/dbraw/zinc/58/77/20/610587720.db2.gz YDHHSIZFNNOPKW-XHDPSFHLSA-N 1 1 327.392 0.655 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC000941185715 610591664 /nfs/dbraw/zinc/59/16/64/610591664.db2.gz AYFVGBRPDAGBDQ-INIZCTEOSA-N 1 1 327.428 0.912 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC000941185715 610591666 /nfs/dbraw/zinc/59/16/66/610591666.db2.gz AYFVGBRPDAGBDQ-INIZCTEOSA-N 1 1 327.428 0.912 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000941208590 610596856 /nfs/dbraw/zinc/59/68/56/610596856.db2.gz WDTSGLOSSCEORA-ZDUSSCGKSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](OC)C(C)C)C1 ZINC000941241569 610614154 /nfs/dbraw/zinc/61/41/54/610614154.db2.gz GCGJWDMFTIITEJ-PMPSAXMXSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](OC)C(C)C)C1 ZINC000941241569 610614155 /nfs/dbraw/zinc/61/41/55/610614155.db2.gz GCGJWDMFTIITEJ-PMPSAXMXSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2conc2CC)C1 ZINC000941242042 610614853 /nfs/dbraw/zinc/61/48/53/610614853.db2.gz SLTBODWSYMEZMZ-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2conc2CC)C1 ZINC000941242042 610614856 /nfs/dbraw/zinc/61/48/56/610614856.db2.gz SLTBODWSYMEZMZ-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000941245120 610616105 /nfs/dbraw/zinc/61/61/05/610616105.db2.gz JYAFTSOUPGQFDO-HMDCTGQHSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000941245120 610616107 /nfs/dbraw/zinc/61/61/07/610616107.db2.gz JYAFTSOUPGQFDO-HMDCTGQHSA-N 1 1 329.444 0.847 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000942027339 610620091 /nfs/dbraw/zinc/62/00/91/610620091.db2.gz YSHZLPHPXKDASF-GJZGRUSLSA-N 1 1 336.436 0.316 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000942027339 610620093 /nfs/dbraw/zinc/62/00/93/610620093.db2.gz YSHZLPHPXKDASF-GJZGRUSLSA-N 1 1 336.436 0.316 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000941237739 610621469 /nfs/dbraw/zinc/62/14/69/610621469.db2.gz IFSYPSFPOJDWMC-NRKLIOEPSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000941237739 610621472 /nfs/dbraw/zinc/62/14/72/610621472.db2.gz IFSYPSFPOJDWMC-NRKLIOEPSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000941238304 610621912 /nfs/dbraw/zinc/62/19/12/610621912.db2.gz YAYZLYPJNZRXAD-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000941238304 610621914 /nfs/dbraw/zinc/62/19/14/610621914.db2.gz YAYZLYPJNZRXAD-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccnc2C)C1 ZINC000941238329 610622979 /nfs/dbraw/zinc/62/29/79/610622979.db2.gz ZMMOASJTGFOWAQ-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccnc2C)C1 ZINC000941238329 610622981 /nfs/dbraw/zinc/62/29/81/610622981.db2.gz ZMMOASJTGFOWAQ-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942056240 610634538 /nfs/dbraw/zinc/63/45/38/610634538.db2.gz FLYSPUWFIDSLBP-CZUORRHYSA-N 1 1 339.403 0.572 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942055823 610634578 /nfs/dbraw/zinc/63/45/78/610634578.db2.gz CJJPHNWDGVLZHZ-NVXWUHKLSA-N 1 1 338.415 0.551 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)[C@H]2CCCO2)C1 ZINC000942827400 610636133 /nfs/dbraw/zinc/63/61/33/610636133.db2.gz XXERQFUXAZOBEY-YESZJQIVSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)[C@H]2CCCO2)C1 ZINC000942827400 610636135 /nfs/dbraw/zinc/63/61/35/610636135.db2.gz XXERQFUXAZOBEY-YESZJQIVSA-N 1 1 347.459 0.712 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](C)C1 ZINC000942062232 610638066 /nfs/dbraw/zinc/63/80/66/610638066.db2.gz VVFWUCVDIHEOFJ-KBPBESRZSA-N 1 1 333.432 0.621 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942816708 610639114 /nfs/dbraw/zinc/63/91/14/610639114.db2.gz VOOXFCMZDXWLFM-IAGOWNOFSA-N 1 1 347.459 0.570 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942816708 610639115 /nfs/dbraw/zinc/63/91/15/610639115.db2.gz VOOXFCMZDXWLFM-IAGOWNOFSA-N 1 1 347.459 0.570 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC000942079600 610644398 /nfs/dbraw/zinc/64/43/98/610644398.db2.gz MWSQPFBHVJKWRY-KGLIPLIRSA-N 1 1 332.452 0.821 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 ZINC000942099904 610651078 /nfs/dbraw/zinc/65/10/78/610651078.db2.gz MNZSEXUXBQYHFL-HUUCEWRRSA-N 1 1 343.493 0.815 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 ZINC000942099250 610653544 /nfs/dbraw/zinc/65/35/44/610653544.db2.gz IOJMOBIFSGLPDR-KGLIPLIRSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@@H](C)C1 ZINC000942163051 610681909 /nfs/dbraw/zinc/68/19/09/610681909.db2.gz FOOYSLGAGSJGOH-UONOGXRCSA-N 1 1 326.404 0.896 20 30 ECEDMO CCn1cc(CC[NH+]2CC(N3CCN(C(=O)[C@H](C)C#N)CC3)C2)cn1 ZINC000941349596 610686016 /nfs/dbraw/zinc/68/60/16/610686016.db2.gz ZFVNIXAJPONSGY-OAHLLOKOSA-N 1 1 344.463 0.434 20 30 ECEDMO C[C@H]1CC[C@H](C[NH+]2CC(N3CCN(C(=O)C#CC4CC4)CC3)C2)O1 ZINC000941406659 610721921 /nfs/dbraw/zinc/72/19/21/610721921.db2.gz DIHQWFARBLCXJB-MAUKXSAKSA-N 1 1 331.460 0.796 20 30 ECEDMO C[C@@H]1CC[C@H](C[NH+]2CC(N3CCN(C(=O)C#CC4CC4)CC3)C2)O1 ZINC000941406658 610721945 /nfs/dbraw/zinc/72/19/45/610721945.db2.gz DIHQWFARBLCXJB-CRAIPNDOSA-N 1 1 331.460 0.796 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408651 610722758 /nfs/dbraw/zinc/72/27/58/610722758.db2.gz OPIVEGNMORXXTA-SJORKVTESA-N 1 1 330.476 0.322 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000943165605 610734629 /nfs/dbraw/zinc/73/46/29/610734629.db2.gz OBWSPKCHXQOART-LSDHHAIUSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000944148784 610748397 /nfs/dbraw/zinc/74/83/97/610748397.db2.gz XMSWXVBYNKTTOM-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000943228974 610755102 /nfs/dbraw/zinc/75/51/02/610755102.db2.gz AFWUFWODACSMBZ-ZFWWWQNUSA-N 1 1 348.447 0.490 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cnco1 ZINC000944159867 610758617 /nfs/dbraw/zinc/75/86/17/610758617.db2.gz OMJSDPFHCGBLNH-KGLIPLIRSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cnco1 ZINC000944159867 610758618 /nfs/dbraw/zinc/75/86/18/610758618.db2.gz OMJSDPFHCGBLNH-KGLIPLIRSA-N 1 1 330.388 0.493 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000944184685 610774280 /nfs/dbraw/zinc/77/42/80/610774280.db2.gz HKSVBSJYZSHSEK-FPCVCCKLSA-N 1 1 335.448 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2C)cn1 ZINC000944214381 610787041 /nfs/dbraw/zinc/78/70/41/610787041.db2.gz KMXDTYVTMMDTIZ-BBRMVZONSA-N 1 1 328.416 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC000943309684 610793096 /nfs/dbraw/zinc/79/30/96/610793096.db2.gz SIMKXHSKFAWTRT-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC000943309684 610793097 /nfs/dbraw/zinc/79/30/97/610793097.db2.gz SIMKXHSKFAWTRT-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000944297752 610816594 /nfs/dbraw/zinc/81/65/94/610816594.db2.gz DQJWYRNTKHSMFP-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@@H]1C ZINC000944317987 610826447 /nfs/dbraw/zinc/82/64/47/610826447.db2.gz NEMJNEMNNIWIMZ-WMLDXEAASA-N 1 1 327.428 0.783 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)CC2 ZINC000944980935 610867716 /nfs/dbraw/zinc/86/77/16/610867716.db2.gz XJZAXMQPSNYAGL-OAHLLOKOSA-N 1 1 348.447 0.319 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C)nn1 ZINC000943480721 610868359 /nfs/dbraw/zinc/86/83/59/610868359.db2.gz FXBCNVAUESHRKW-UKRRQHHQSA-N 1 1 343.435 0.838 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC000944984090 610869217 /nfs/dbraw/zinc/86/92/17/610869217.db2.gz ZBSPWXIIUAFTKX-GJZGRUSLSA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC000945031431 610887527 /nfs/dbraw/zinc/88/75/27/610887527.db2.gz SPCMEHPYMLOQHZ-OAHLLOKOSA-N 1 1 348.447 0.319 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC000943590961 610905841 /nfs/dbraw/zinc/90/58/41/610905841.db2.gz AFUJXMYCBFSBBO-RBSFLKMASA-N 1 1 337.464 0.882 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000944519469 610926425 /nfs/dbraw/zinc/92/64/25/610926425.db2.gz LBSRGGMNHOQELY-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H](C)C1 ZINC000943761621 610978779 /nfs/dbraw/zinc/97/87/79/610978779.db2.gz PTIWELRBUWTATQ-CJNGLKHVSA-N 1 1 330.432 0.710 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 ZINC000944654812 611062318 /nfs/dbraw/zinc/06/23/18/611062318.db2.gz PANRTCKJHPNMMC-CHWSQXEVSA-N 1 1 336.436 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1nocc1C ZINC000944099967 611131440 /nfs/dbraw/zinc/13/14/40/611131440.db2.gz KLJXXBFAVRYREI-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1nocc1C ZINC000944099967 611131442 /nfs/dbraw/zinc/13/14/42/611131442.db2.gz KLJXXBFAVRYREI-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC000944100775 611131926 /nfs/dbraw/zinc/13/19/26/611131926.db2.gz OGESNEYLLIBULE-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC000944100775 611131927 /nfs/dbraw/zinc/13/19/27/611131927.db2.gz OGESNEYLLIBULE-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC000945803923 611145937 /nfs/dbraw/zinc/14/59/37/611145937.db2.gz VERDFBMFZWWICS-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC000945803923 611145938 /nfs/dbraw/zinc/14/59/38/611145938.db2.gz VERDFBMFZWWICS-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]3CC2)nn1 ZINC000946810505 611169832 /nfs/dbraw/zinc/16/98/32/611169832.db2.gz HVSDPKOGARXBBB-MCIONIFRSA-N 1 1 346.435 0.122 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)CC[C@@H]2C1 ZINC000946859193 611202241 /nfs/dbraw/zinc/20/22/41/611202241.db2.gz NOFSBGBXDPLXAB-SOUVJXGZSA-N 1 1 327.432 0.713 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)CC[C@@H]2C1 ZINC000946859193 611202242 /nfs/dbraw/zinc/20/22/42/611202242.db2.gz NOFSBGBXDPLXAB-SOUVJXGZSA-N 1 1 327.432 0.713 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)CC[C@@H]2C1 ZINC000946859193 611202244 /nfs/dbraw/zinc/20/22/44/611202244.db2.gz NOFSBGBXDPLXAB-SOUVJXGZSA-N 1 1 327.432 0.713 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)CC[C@@H]2C1 ZINC000946859193 611202245 /nfs/dbraw/zinc/20/22/45/611202245.db2.gz NOFSBGBXDPLXAB-SOUVJXGZSA-N 1 1 327.432 0.713 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)CC[C@@H]2C1 ZINC000946859193 611202247 /nfs/dbraw/zinc/20/22/47/611202247.db2.gz NOFSBGBXDPLXAB-SOUVJXGZSA-N 1 1 327.432 0.713 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)CC[C@@H]2C1 ZINC000946878127 611217286 /nfs/dbraw/zinc/21/72/86/611217286.db2.gz JEXAZLUNKHXYNP-KSZLIROESA-N 1 1 347.459 0.427 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)CC[C@@H]2C1 ZINC000946878696 611217880 /nfs/dbraw/zinc/21/78/80/611217880.db2.gz XLKLLDYIXFKSMP-FGTMMUONSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000923343781 611231875 /nfs/dbraw/zinc/23/18/75/611231875.db2.gz AMLIZKOXVZVZTF-ROUUACIJSA-N 1 1 344.459 0.486 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000923343781 611231876 /nfs/dbraw/zinc/23/18/76/611231876.db2.gz AMLIZKOXVZVZTF-ROUUACIJSA-N 1 1 344.459 0.486 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)CC[N@H+]1C ZINC000946911662 611254343 /nfs/dbraw/zinc/25/43/43/611254343.db2.gz FPXSMZYESKJHRH-IUODEOHRSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC[C@@H]2C1 ZINC000946915379 611258081 /nfs/dbraw/zinc/25/80/81/611258081.db2.gz GBAIRKAYISUWEH-ZNMIVQPWSA-N 1 1 331.416 0.233 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)C1 ZINC000923549612 611260325 /nfs/dbraw/zinc/26/03/25/611260325.db2.gz NMEKKWLTSLQHOS-FWPCIQOSSA-N 1 1 336.413 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cn2nc(-c3ccccc3)oc2=O)C1 ZINC000923591586 611270784 /nfs/dbraw/zinc/27/07/84/611270784.db2.gz HICHYYMHXWJAMC-HNNXBMFYSA-N 1 1 340.383 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2nc(-c3ccccc3)oc2=O)C1 ZINC000923591586 611270785 /nfs/dbraw/zinc/27/07/85/611270785.db2.gz HICHYYMHXWJAMC-HNNXBMFYSA-N 1 1 340.383 0.717 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC(=O)N(C)C)C1 ZINC000923590910 611271153 /nfs/dbraw/zinc/27/11/53/611271153.db2.gz HRPLTLQIANEQOS-OAHLLOKOSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC(=O)N(C)C)C1 ZINC000923590910 611271155 /nfs/dbraw/zinc/27/11/55/611271155.db2.gz HRPLTLQIANEQOS-OAHLLOKOSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2Oc3ccccc3NC2=O)C1 ZINC000923591750 611271600 /nfs/dbraw/zinc/27/16/00/611271600.db2.gz JEVZRWPFNCACSL-CJNGLKHVSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2Oc3ccccc3NC2=O)C1 ZINC000923591750 611271603 /nfs/dbraw/zinc/27/16/03/611271603.db2.gz JEVZRWPFNCACSL-CJNGLKHVSA-N 1 1 327.384 0.990 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C ZINC000947925417 611283503 /nfs/dbraw/zinc/28/35/03/611283503.db2.gz PMBROCCUDYJSPD-KBPBESRZSA-N 1 1 336.436 0.816 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C ZINC000947925656 611284437 /nfs/dbraw/zinc/28/44/37/611284437.db2.gz RIMFBSRCRYCWLM-NWDGAFQWSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C ZINC000947925656 611284438 /nfs/dbraw/zinc/28/44/38/611284438.db2.gz RIMFBSRCRYCWLM-NWDGAFQWSA-N 1 1 342.827 0.602 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000946494213 611284635 /nfs/dbraw/zinc/28/46/35/611284635.db2.gz CKHLQVINSPIQLX-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)OC)CC[C@@H]3C2)C1=O ZINC000946505787 611287640 /nfs/dbraw/zinc/28/76/40/611287640.db2.gz IZQSETIOAMPPAE-MWDXBVQZSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000834691041 611296940 /nfs/dbraw/zinc/29/69/40/611296940.db2.gz HQISAKRAJFFYAI-BZUAXINKSA-N 1 1 333.432 0.228 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)CC[C@@H]3C2)C1=O ZINC000946521159 611298565 /nfs/dbraw/zinc/29/85/65/611298565.db2.gz JQRAINDNGAZIKD-WCVJEAGWSA-N 1 1 332.448 0.937 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000834795969 611301753 /nfs/dbraw/zinc/30/17/53/611301753.db2.gz HVUADTRQYVZWHT-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)CC[C@@H]2C1 ZINC000946552931 611317903 /nfs/dbraw/zinc/31/79/03/611317903.db2.gz SNRWHASXZSXWIT-RWMBFGLXSA-N 1 1 329.404 0.544 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)NCCCCC[NH+]1CCNCC1 ZINC000923681034 611341896 /nfs/dbraw/zinc/34/18/96/611341896.db2.gz GASAYMINWOMHTK-UHFFFAOYSA-N 1 1 337.449 0.307 20 30 ECEDMO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933653676 611739146 /nfs/dbraw/zinc/73/91/46/611739146.db2.gz VVBJKPFKGUJHKC-CQSZACIVSA-N 1 1 349.431 0.403 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H](C)C2)nc1 ZINC000947936475 611747533 /nfs/dbraw/zinc/74/75/33/611747533.db2.gz VZENWEFYIPPGOI-GDBMZVCRSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)[C@@H](C)C2)cn1 ZINC000947946394 611751701 /nfs/dbraw/zinc/75/17/01/611751701.db2.gz AKHXAKBVZNOSEH-WMLDXEAASA-N 1 1 338.415 0.937 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@H](C)C2)nc1 ZINC000947947381 611752014 /nfs/dbraw/zinc/75/20/14/611752014.db2.gz GCGAZPDFWKXGJB-HIFRSBDPSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@H](C)C2)nc1 ZINC000947947381 611752016 /nfs/dbraw/zinc/75/20/16/611752016.db2.gz GCGAZPDFWKXGJB-HIFRSBDPSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H](C)C2)cn1 ZINC000947948150 611752337 /nfs/dbraw/zinc/75/23/37/611752337.db2.gz LNXIZYFRJNEDIT-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000947965415 611758022 /nfs/dbraw/zinc/75/80/22/611758022.db2.gz SQHCPLYYJLZEHG-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)NCc1ccc(C)c(C#N)c1 ZINC000929525528 611762271 /nfs/dbraw/zinc/76/22/71/611762271.db2.gz HQQXSBGUGSLVPP-UHFFFAOYSA-N 1 1 346.431 0.567 20 30 ECEDMO CN1CCN(C[C@@H](O)COc2ccccc2C#N)CC[N@@H+](C)CC1 ZINC000933992131 611764284 /nfs/dbraw/zinc/76/42/84/611764284.db2.gz ARQFGCIEROBXAW-QGZVFWFLSA-N 1 1 332.448 0.477 20 30 ECEDMO CN1CCN(C)CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000933992131 611764285 /nfs/dbraw/zinc/76/42/85/611764285.db2.gz ARQFGCIEROBXAW-QGZVFWFLSA-N 1 1 332.448 0.477 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC000948984607 611784943 /nfs/dbraw/zinc/78/49/43/611784943.db2.gz AHBLXHYCTKLRAU-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC000948984607 611784945 /nfs/dbraw/zinc/78/49/45/611784945.db2.gz AHBLXHYCTKLRAU-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000929772673 611792240 /nfs/dbraw/zinc/79/22/40/611792240.db2.gz RQNXVIPUVSIZCH-OAHLLOKOSA-N 1 1 349.456 0.997 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)C[C@H](O)CN2CCOCC2)cc1 ZINC000929811676 611796983 /nfs/dbraw/zinc/79/69/83/611796983.db2.gz FAAYDCRTCAGECI-SFHVURJKSA-N 1 1 345.443 0.621 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1CCC2(COC2)O1 ZINC000929822693 611797587 /nfs/dbraw/zinc/79/75/87/611797587.db2.gz CPZRUHCHXYMZLH-KBPBESRZSA-N 1 1 329.404 0.807 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1CCC2(COC2)O1 ZINC000929822693 611797589 /nfs/dbraw/zinc/79/75/89/611797589.db2.gz CPZRUHCHXYMZLH-KBPBESRZSA-N 1 1 329.404 0.807 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)CCC1(O)CCC1 ZINC000929826129 611798046 /nfs/dbraw/zinc/79/80/46/611798046.db2.gz UDGPFIXFJKMWQG-HUUCEWRRSA-N 1 1 345.447 0.915 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)CCC1(O)CCC1 ZINC000929826129 611798048 /nfs/dbraw/zinc/79/80/48/611798048.db2.gz UDGPFIXFJKMWQG-HUUCEWRRSA-N 1 1 345.447 0.915 20 30 ECEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000934467478 611801433 /nfs/dbraw/zinc/80/14/33/611801433.db2.gz QWBCCGTXYWYBPP-CYBMUJFWSA-N 1 1 335.429 0.874 20 30 ECEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000934467478 611801435 /nfs/dbraw/zinc/80/14/35/611801435.db2.gz QWBCCGTXYWYBPP-CYBMUJFWSA-N 1 1 335.429 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1C ZINC000947141778 611813854 /nfs/dbraw/zinc/81/38/54/611813854.db2.gz CQVRSRZWKGQNNC-OIISXLGYSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1C ZINC000947141778 611813857 /nfs/dbraw/zinc/81/38/57/611813857.db2.gz CQVRSRZWKGQNNC-OIISXLGYSA-N 1 1 340.427 0.756 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCCC[N@@H+]2C)nn1 ZINC000950057493 611855860 /nfs/dbraw/zinc/85/58/60/611855860.db2.gz WLFUFZDUIVMIBC-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC1CCOCC1 ZINC000950755066 611890525 /nfs/dbraw/zinc/89/05/25/611890525.db2.gz CMQORQGITVFWBT-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC1CCOCC1 ZINC000950755066 611890528 /nfs/dbraw/zinc/89/05/28/611890528.db2.gz CMQORQGITVFWBT-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1C ZINC000949320506 611938067 /nfs/dbraw/zinc/93/80/67/611938067.db2.gz PUVCZUUYZWECEU-CVEARBPZSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1C ZINC000949320506 611938070 /nfs/dbraw/zinc/93/80/70/611938070.db2.gz PUVCZUUYZWECEU-CVEARBPZSA-N 1 1 340.427 0.818 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@H]1CCCN(C)C1=O)CCO2 ZINC000949320983 611938360 /nfs/dbraw/zinc/93/83/60/611938360.db2.gz YNYOIDNWTSHJJH-GJZGRUSLSA-N 1 1 348.447 0.460 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@H]1CCCN(C)C1=O)CCO2 ZINC000949320983 611938362 /nfs/dbraw/zinc/93/83/62/611938362.db2.gz YNYOIDNWTSHJJH-GJZGRUSLSA-N 1 1 348.447 0.460 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CCn1cncn1)CCO2 ZINC000949320874 611938389 /nfs/dbraw/zinc/93/83/89/611938389.db2.gz VVWAHAUARQHXTA-CQSZACIVSA-N 1 1 332.408 0.131 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CCn1cncn1)CCO2 ZINC000949320874 611938390 /nfs/dbraw/zinc/93/83/90/611938390.db2.gz VVWAHAUARQHXTA-CQSZACIVSA-N 1 1 332.408 0.131 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)Cc3nnc(C)[nH]3)CC2)C1 ZINC000949362283 611952490 /nfs/dbraw/zinc/95/24/90/611952490.db2.gz HDHJBSKWDRIWSA-UHFFFAOYSA-N 1 1 333.436 0.925 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC000949405761 611966995 /nfs/dbraw/zinc/96/69/95/611966995.db2.gz IQEXPEDOCKUXSS-HNNXBMFYSA-N 1 1 333.432 0.229 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)C1 ZINC000949429673 611976895 /nfs/dbraw/zinc/97/68/95/611976895.db2.gz BINWVSYPCJLTCQ-GJZGRUSLSA-N 1 1 333.432 0.215 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)C1 ZINC000949429673 611976897 /nfs/dbraw/zinc/97/68/97/611976897.db2.gz BINWVSYPCJLTCQ-GJZGRUSLSA-N 1 1 333.432 0.215 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949452689 611986417 /nfs/dbraw/zinc/98/64/17/611986417.db2.gz NTGCUIMIHQXCLX-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949485853 612000190 /nfs/dbraw/zinc/00/01/90/612000190.db2.gz OKJCQSGGCJEMMA-HOTGVXAUSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949485853 612000191 /nfs/dbraw/zinc/00/01/91/612000191.db2.gz OKJCQSGGCJEMMA-HOTGVXAUSA-N 1 1 339.399 0.315 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949493470 612005216 /nfs/dbraw/zinc/00/52/16/612005216.db2.gz VPKKWICKUQTSLJ-HNNXBMFYSA-N 1 1 333.432 0.372 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949493470 612005218 /nfs/dbraw/zinc/00/52/18/612005218.db2.gz VPKKWICKUQTSLJ-HNNXBMFYSA-N 1 1 333.432 0.372 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000949501778 612010346 /nfs/dbraw/zinc/01/03/46/612010346.db2.gz HFNDIFCBEHPXPV-OWCLPIDISA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000949502612 612011230 /nfs/dbraw/zinc/01/12/30/612011230.db2.gz RLDBUZOAYCVAEW-BYCMXARLSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000949506120 612013037 /nfs/dbraw/zinc/01/30/37/612013037.db2.gz CXNDCOVUNUIPSR-ZACQAIPSSA-N 1 1 349.475 0.884 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC000949512320 612016044 /nfs/dbraw/zinc/01/60/44/612016044.db2.gz XHUHCBYEIPBNEZ-INIZCTEOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC000949512320 612016045 /nfs/dbraw/zinc/01/60/45/612016045.db2.gz XHUHCBYEIPBNEZ-INIZCTEOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)C1 ZINC000949537068 612025144 /nfs/dbraw/zinc/02/51/44/612025144.db2.gz XZHVWFACFKSOMH-AWEZNQCLSA-N 1 1 349.431 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000949769797 612075510 /nfs/dbraw/zinc/07/55/10/612075510.db2.gz ANSWKNGXMUNFMP-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000949769797 612075511 /nfs/dbraw/zinc/07/55/11/612075511.db2.gz ANSWKNGXMUNFMP-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951223279 612087836 /nfs/dbraw/zinc/08/78/36/612087836.db2.gz CLRXYCCBRSZQJS-NRKLIOEPSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951223279 612087838 /nfs/dbraw/zinc/08/78/38/612087838.db2.gz CLRXYCCBRSZQJS-NRKLIOEPSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cccnn2)C1 ZINC000951223606 612088215 /nfs/dbraw/zinc/08/82/15/612088215.db2.gz LRABQCYWPGUPKJ-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cccnn2)C1 ZINC000951223606 612088217 /nfs/dbraw/zinc/08/82/17/612088217.db2.gz LRABQCYWPGUPKJ-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccsn2)C1 ZINC000951223601 612088442 /nfs/dbraw/zinc/08/84/42/612088442.db2.gz LPDWSDQZKZYWSK-HIFRSBDPSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccsn2)C1 ZINC000951223601 612088444 /nfs/dbraw/zinc/08/84/44/612088444.db2.gz LPDWSDQZKZYWSK-HIFRSBDPSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cnsn2)C1 ZINC000951223535 612088467 /nfs/dbraw/zinc/08/84/67/612088467.db2.gz JXQOLQVEANMZMB-JSGCOSHPSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cnsn2)C1 ZINC000951223535 612088468 /nfs/dbraw/zinc/08/84/68/612088468.db2.gz JXQOLQVEANMZMB-JSGCOSHPSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CCN(C(=O)COC)C2)C1 ZINC000952830287 612110118 /nfs/dbraw/zinc/11/01/18/612110118.db2.gz TYCQVLGXJUUSTC-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CCN(C(=O)COC)C2)C1 ZINC000952830287 612110121 /nfs/dbraw/zinc/11/01/21/612110121.db2.gz TYCQVLGXJUUSTC-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000951901166 612123831 /nfs/dbraw/zinc/12/38/31/612123831.db2.gz VDXBKCPVGDFGGL-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000951901166 612123834 /nfs/dbraw/zinc/12/38/34/612123834.db2.gz VDXBKCPVGDFGGL-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000953131233 612173468 /nfs/dbraw/zinc/17/34/68/612173468.db2.gz UGKXORHCKGPRDZ-LPHOPBHVSA-N 1 1 329.444 0.945 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CC[C@H](C)C2)nc1 ZINC000951377545 612193899 /nfs/dbraw/zinc/19/38/99/612193899.db2.gz APOBNVMJRPVWSP-GOEBONIOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCC[N@@H+]2C)nc1 ZINC000951377700 612194369 /nfs/dbraw/zinc/19/43/69/612194369.db2.gz FIOYVVRIGPGWJQ-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nc1 ZINC000951378174 612194778 /nfs/dbraw/zinc/19/47/78/612194778.db2.gz OZJWTADFIVABLG-FVQBIDKESA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cn2c[nH+]cc2C)cn1 ZINC000951386026 612198981 /nfs/dbraw/zinc/19/89/81/612198981.db2.gz RWQOHDRCNIUMLU-MRXNPFEDSA-N 1 1 337.383 0.599 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000951549413 612335737 /nfs/dbraw/zinc/33/57/37/612335737.db2.gz QXRGMDFWBNXUOD-YESZJQIVSA-N 1 1 346.475 0.285 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000952281949 612343884 /nfs/dbraw/zinc/34/38/84/612343884.db2.gz XEEVBNKZEYTHSN-AWEZNQCLSA-N 1 1 343.431 0.806 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000954513285 612352476 /nfs/dbraw/zinc/35/24/76/612352476.db2.gz RKPBRFLIPZVAFX-CZUORRHYSA-N 1 1 348.447 0.459 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC000955340607 612461670 /nfs/dbraw/zinc/46/16/70/612461670.db2.gz PNKCYKVPZNROBX-CQSZACIVSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2[nH]ccc2C)C1 ZINC000954631294 612469115 /nfs/dbraw/zinc/46/91/15/612469115.db2.gz VBXQYVGEVFQCPX-HNNXBMFYSA-N 1 1 328.416 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2[nH]ccc2C)C1 ZINC000954631294 612469120 /nfs/dbraw/zinc/46/91/20/612469120.db2.gz VBXQYVGEVFQCPX-HNNXBMFYSA-N 1 1 328.416 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cncs2)C1 ZINC000954631272 612469188 /nfs/dbraw/zinc/46/91/88/612469188.db2.gz UKQRJQXHHCAFLJ-ZDUSSCGKSA-N 1 1 332.429 0.524 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cncs2)C1 ZINC000954631272 612469190 /nfs/dbraw/zinc/46/91/90/612469190.db2.gz UKQRJQXHHCAFLJ-ZDUSSCGKSA-N 1 1 332.429 0.524 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000955365642 612503812 /nfs/dbraw/zinc/50/38/12/612503812.db2.gz TZRAFPBRDNRYKI-CABCVRRESA-N 1 1 332.404 0.452 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1csc(C)n1 ZINC000951721428 612506565 /nfs/dbraw/zinc/50/65/65/612506565.db2.gz RNLYGJKXTRRSKE-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1csc(C)n1 ZINC000951721428 612506566 /nfs/dbraw/zinc/50/65/66/612506566.db2.gz RNLYGJKXTRRSKE-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC000951730643 612521888 /nfs/dbraw/zinc/52/18/88/612521888.db2.gz WQOJTGDQHAOGEV-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC000951730643 612521895 /nfs/dbraw/zinc/52/18/95/612521895.db2.gz WQOJTGDQHAOGEV-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC000951730640 612521925 /nfs/dbraw/zinc/52/19/25/612521925.db2.gz WQOJTGDQHAOGEV-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC000951730640 612521930 /nfs/dbraw/zinc/52/19/30/612521930.db2.gz WQOJTGDQHAOGEV-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956802255 612565638 /nfs/dbraw/zinc/56/56/38/612565638.db2.gz JEIBCZAAFHLLCX-CXAGYDPISA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC000951774711 612594508 /nfs/dbraw/zinc/59/45/08/612594508.db2.gz REEDWCJBOPDRRK-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC000951774711 612594509 /nfs/dbraw/zinc/59/45/09/612594509.db2.gz REEDWCJBOPDRRK-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC000956019491 612616702 /nfs/dbraw/zinc/61/67/02/612616702.db2.gz HIQBCYILPPPECB-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)nc1 ZINC000956020578 612619597 /nfs/dbraw/zinc/61/95/97/612619597.db2.gz XEBHJTHXCCDHDG-CVEARBPZSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2[nH]cnc2C)C1 ZINC000954735572 612626839 /nfs/dbraw/zinc/62/68/39/612626839.db2.gz AELKJOHODGKNJY-AWEZNQCLSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2[nH]cnc2C)C1 ZINC000954735572 612626841 /nfs/dbraw/zinc/62/68/41/612626841.db2.gz AELKJOHODGKNJY-AWEZNQCLSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC000956073032 612676564 /nfs/dbraw/zinc/67/65/64/612676564.db2.gz KXAKITDXEPCNTL-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC000956073032 612676566 /nfs/dbraw/zinc/67/65/66/612676566.db2.gz KXAKITDXEPCNTL-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC000956073026 612676573 /nfs/dbraw/zinc/67/65/73/612676573.db2.gz KTLHJTJFJADWJK-KBPBESRZSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC000956073026 612676575 /nfs/dbraw/zinc/67/65/75/612676575.db2.gz KTLHJTJFJADWJK-KBPBESRZSA-N 1 1 329.404 0.228 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954841431 612736571 /nfs/dbraw/zinc/73/65/71/612736571.db2.gz ZHRGTPQCNNXDDI-ZVZYQTTQSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c(C)n[nH]c2C)C1 ZINC000955014558 612855074 /nfs/dbraw/zinc/85/50/74/612855074.db2.gz XATZGENXXQKEDW-HNNXBMFYSA-N 1 1 343.431 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c(C)n[nH]c2C)C1 ZINC000955014558 612855075 /nfs/dbraw/zinc/85/50/75/612855075.db2.gz XATZGENXXQKEDW-HNNXBMFYSA-N 1 1 343.431 0.407 20 30 ECEDMO CCN(CCNC(=O)CC[NH+]1CCOCC1)c1ccc(C#N)nc1 ZINC001100562063 735357369 /nfs/dbraw/zinc/35/73/69/735357369.db2.gz YVYJFHNUPXZNOG-UHFFFAOYSA-N 1 1 331.420 0.618 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000972004115 735488469 /nfs/dbraw/zinc/48/84/69/735488469.db2.gz CDJGCGDMRIWQHT-ZDUSSCGKSA-N 1 1 347.810 0.956 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000972004115 735488472 /nfs/dbraw/zinc/48/84/72/735488472.db2.gz CDJGCGDMRIWQHT-ZDUSSCGKSA-N 1 1 347.810 0.956 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)Cc3cc[nH]n3)C(C)(C)C2)C1=O ZINC000972984103 738476265 /nfs/dbraw/zinc/47/62/65/738476265.db2.gz BFDLVTKGIUBIGU-GJZGRUSLSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)Cc3cc[nH]n3)C(C)(C)C2)C1=O ZINC000972984103 738476268 /nfs/dbraw/zinc/47/62/68/738476268.db2.gz BFDLVTKGIUBIGU-GJZGRUSLSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2cccnn21 ZINC001114941597 731505394 /nfs/dbraw/zinc/50/53/94/731505394.db2.gz DIFZRVXTEURRIR-HALDLXJZSA-N 1 1 339.399 0.297 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2cccnn21 ZINC001114941597 731505399 /nfs/dbraw/zinc/50/53/99/731505399.db2.gz DIFZRVXTEURRIR-HALDLXJZSA-N 1 1 339.399 0.297 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069974607 790266581 /nfs/dbraw/zinc/26/65/81/790266581.db2.gz HNUHGRDHOVKZQX-ZNMIVQPWSA-N 1 1 346.435 0.255 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069974607 790266582 /nfs/dbraw/zinc/26/65/82/790266582.db2.gz HNUHGRDHOVKZQX-ZNMIVQPWSA-N 1 1 346.435 0.255 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H](n2ccnn2)C1 ZINC001069974259 790266632 /nfs/dbraw/zinc/26/66/32/790266632.db2.gz VXUWOQXUVJZIIA-HIFRSBDPSA-N 1 1 346.822 0.949 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H](n2ccnn2)C1 ZINC001069974259 790266638 /nfs/dbraw/zinc/26/66/38/790266638.db2.gz VXUWOQXUVJZIIA-HIFRSBDPSA-N 1 1 346.822 0.949 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ccc(C#N)nc2)C1 ZINC001125280625 731583127 /nfs/dbraw/zinc/58/31/27/731583127.db2.gz UVBLYZNVWBPVEE-PBHICJAKSA-N 1 1 345.447 0.551 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+](CC(=O)NC)C3)C2)cn1 ZINC001041793330 782220962 /nfs/dbraw/zinc/22/09/62/782220962.db2.gz JLNMMHZOQVEKND-SFHVURJKSA-N 1 1 326.400 0.347 20 30 ECEDMO CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001041795471 782226270 /nfs/dbraw/zinc/22/62/70/782226270.db2.gz YHGLKOFONMSBDW-BPLDGKMQSA-N 1 1 342.447 0.946 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cnc(C)cn3)C2)C1=O ZINC000969242489 731639134 /nfs/dbraw/zinc/63/91/34/731639134.db2.gz IEQUHMTZLDQVJP-BBRMVZONSA-N 1 1 343.431 0.622 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1COCCO1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969321236 731717464 /nfs/dbraw/zinc/71/74/64/731717464.db2.gz BRJXEMLSKFCZQI-DYVFJYSZSA-N 1 1 329.400 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC000969352505 731750095 /nfs/dbraw/zinc/75/00/95/731750095.db2.gz TZVYSTDOTRTSQZ-SWLSCSKDSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCOCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001098522580 731790576 /nfs/dbraw/zinc/79/05/76/731790576.db2.gz JVISTAJUHDIKPZ-OAHLLOKOSA-N 1 1 326.437 0.511 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2O)cc1 ZINC000969473542 731914958 /nfs/dbraw/zinc/91/49/58/731914958.db2.gz VJCQVBFBWJAHGC-IKGGRYGDSA-N 1 1 341.411 0.064 20 30 ECEDMO C[C@H](NC(=O)[C@H]1COCCN1C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969517686 731937011 /nfs/dbraw/zinc/93/70/11/731937011.db2.gz NAWKICYGDUDTRG-KBXCAEBGSA-N 1 1 342.443 0.825 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000969513765 731940597 /nfs/dbraw/zinc/94/05/97/731940597.db2.gz HGNUSMIUDYWTBB-BLLLJJGKSA-N 1 1 341.415 0.723 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC000969526115 731948453 /nfs/dbraw/zinc/94/84/53/731948453.db2.gz JMPANTNKKHJFDI-ABAIWWIYSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C ZINC000969549464 731958030 /nfs/dbraw/zinc/95/80/30/731958030.db2.gz CUGOXDYXVKUVDO-UUAJXVIYSA-N 1 1 329.444 0.942 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C ZINC000969549464 731958034 /nfs/dbraw/zinc/95/80/34/731958034.db2.gz CUGOXDYXVKUVDO-UUAJXVIYSA-N 1 1 329.444 0.942 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cnn(CC)n3)C2)C1=O ZINC000969624839 732007244 /nfs/dbraw/zinc/00/72/44/732007244.db2.gz NQTROLGMFHZFSY-IUODEOHRSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C ZINC000969626524 732008292 /nfs/dbraw/zinc/00/82/92/732008292.db2.gz CUGOXDYXVKUVDO-KSWRQPAISA-N 1 1 329.444 0.942 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C ZINC000969626524 732008296 /nfs/dbraw/zinc/00/82/96/732008296.db2.gz CUGOXDYXVKUVDO-KSWRQPAISA-N 1 1 329.444 0.942 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969787101 732347998 /nfs/dbraw/zinc/34/79/98/732347998.db2.gz BGUNIGFIPYVLJP-RDJZCZTQSA-N 1 1 339.439 0.953 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041812235 782252709 /nfs/dbraw/zinc/25/27/09/782252709.db2.gz WJSKPZXRRLATCB-FUHWJXTLSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3nc4nc(C)cc(C)n4n3)C2)C1 ZINC001041812104 782253747 /nfs/dbraw/zinc/25/37/47/782253747.db2.gz GLTKULLQQWZWNV-GOSISDBHSA-N 1 1 338.415 0.912 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CN(C)c2ccc(C#N)cn2)CC[N@H+]1C ZINC001125305702 732385025 /nfs/dbraw/zinc/38/50/25/732385025.db2.gz XHWJVGGFYZCKCU-FVQBIDKESA-N 1 1 345.447 0.549 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cc(OC)no2)C1 ZINC000969865089 732461439 /nfs/dbraw/zinc/46/14/39/732461439.db2.gz JOFFBKIICMRBDA-CJNGLKHVSA-N 1 1 346.431 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cc(OC)no2)C1 ZINC000969865089 732461441 /nfs/dbraw/zinc/46/14/41/732461441.db2.gz JOFFBKIICMRBDA-CJNGLKHVSA-N 1 1 346.431 0.717 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)C(=O)N2CCC[C@H]2CC)CC1 ZINC001098526657 732551316 /nfs/dbraw/zinc/55/13/16/732551316.db2.gz NIVXOKGRVDOCDY-OAHLLOKOSA-N 1 1 337.464 0.859 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccnc(OC)c3)[C@H]2C1 ZINC001083193689 732619119 /nfs/dbraw/zinc/61/91/19/732619119.db2.gz DIPHEBUFPYOXLL-JKSUJKDBSA-N 1 1 329.400 0.568 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccnc(OC)c3)[C@H]2C1 ZINC001083193689 732619121 /nfs/dbraw/zinc/61/91/21/732619121.db2.gz DIPHEBUFPYOXLL-JKSUJKDBSA-N 1 1 329.400 0.568 20 30 ECEDMO N#CCN1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083193671 732620728 /nfs/dbraw/zinc/62/07/28/732620728.db2.gz CMBLXQZYZGYMTI-JKSUJKDBSA-N 1 1 345.403 0.319 20 30 ECEDMO C#CCN1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193754 732626976 /nfs/dbraw/zinc/62/69/76/732626976.db2.gz HBLYXSRJRPYZMN-HYVNUMGLSA-N 1 1 328.416 0.299 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC001041821562 782271577 /nfs/dbraw/zinc/27/15/77/782271577.db2.gz GMAQRRXTCCZPKP-SFHVURJKSA-N 1 1 332.448 0.725 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2ccccc2OCC(N)=O)C1 ZINC000970089536 732751022 /nfs/dbraw/zinc/75/10/22/732751022.db2.gz FEZSOZPTKBCIAU-CYBMUJFWSA-N 1 1 329.400 0.624 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001078090235 782287495 /nfs/dbraw/zinc/28/74/95/782287495.db2.gz JRNVKOYXAKFSTN-ZIAGYGMSSA-N 1 1 329.360 0.081 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001078090235 782287502 /nfs/dbraw/zinc/28/75/02/782287502.db2.gz JRNVKOYXAKFSTN-ZIAGYGMSSA-N 1 1 329.360 0.081 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)C[N@@H+](C)C1CCC1 ZINC001125322448 733007346 /nfs/dbraw/zinc/00/73/46/733007346.db2.gz ZGEWBFORPNWCLD-HNNXBMFYSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC001041836467 782312678 /nfs/dbraw/zinc/31/26/78/782312678.db2.gz XFNJLBNBJKFDQR-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CNc2ccncc2C#N)C(C)(C)C)C1 ZINC001125828119 738669511 /nfs/dbraw/zinc/66/95/11/738669511.db2.gz MDQPUTXAHMRIEN-HZPDHXFCSA-N 1 1 345.447 0.649 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CNc2ccncc2C#N)C(C)(C)C)C1 ZINC001125828119 738669514 /nfs/dbraw/zinc/66/95/14/738669514.db2.gz MDQPUTXAHMRIEN-HZPDHXFCSA-N 1 1 345.447 0.649 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2cn(C)nc2Cl)CC1 ZINC001098531244 733031542 /nfs/dbraw/zinc/03/15/42/733031542.db2.gz ZQUOTBXNJAQXOA-UHFFFAOYSA-N 1 1 338.839 0.996 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N3CCOCC3)C2)C1 ZINC001041838670 782316094 /nfs/dbraw/zinc/31/60/94/782316094.db2.gz CVICXNAYAGYTEN-MJGOQNOKSA-N 1 1 331.460 0.655 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001039136118 733085920 /nfs/dbraw/zinc/08/59/20/733085920.db2.gz KHNOIHGPUOIKGM-KBAYOESNSA-N 1 1 333.476 0.899 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3nc(C4CC4)nn3C)C2)C1 ZINC001041838988 782317307 /nfs/dbraw/zinc/31/73/07/782317307.db2.gz DEJOLPAWKBRCIT-SFHVURJKSA-N 1 1 327.432 0.793 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3coc(OC)n3)C2)C1=O ZINC000970219642 733229782 /nfs/dbraw/zinc/22/97/82/733229782.db2.gz GIYHLTSMNKBFOF-RISCZKNCSA-N 1 1 348.403 0.520 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CC)C2)nn1 ZINC000970223986 733235189 /nfs/dbraw/zinc/23/51/89/733235189.db2.gz HWSXEFKCYAYBIF-CYBMUJFWSA-N 1 1 344.423 0.470 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCCNC3=O)C2)cc1 ZINC000970254858 733261922 /nfs/dbraw/zinc/26/19/22/733261922.db2.gz DJZHQKXDSZYLFZ-DYVFJYSZSA-N 1 1 325.412 0.997 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC000970254897 733261927 /nfs/dbraw/zinc/26/19/27/733261927.db2.gz DYMLSQKPHQRHGH-BLLLJJGKSA-N 1 1 339.395 0.523 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cn(C)nn2)nc1 ZINC001025141925 738712957 /nfs/dbraw/zinc/71/29/57/738712957.db2.gz JWOYCGNDCCQGAT-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970558444 733673587 /nfs/dbraw/zinc/67/35/87/733673587.db2.gz CYTMRTPYVZBHPR-KMFMINBZSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970558447 733673647 /nfs/dbraw/zinc/67/36/47/733673647.db2.gz CYTMRTPYVZBHPR-QRTARXTBSA-N 1 1 337.464 0.882 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 ZINC001098538208 733683078 /nfs/dbraw/zinc/68/30/78/733683078.db2.gz LGNXLKOILZRQEE-KRWDZBQOSA-N 1 1 335.448 0.306 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001041862579 782361415 /nfs/dbraw/zinc/36/14/15/782361415.db2.gz YZYSSGFVBYXQRF-LRDDRELGSA-N 1 1 339.823 0.716 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001041862579 782361425 /nfs/dbraw/zinc/36/14/25/782361425.db2.gz YZYSSGFVBYXQRF-LRDDRELGSA-N 1 1 339.823 0.716 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)C1 ZINC000970636010 733766809 /nfs/dbraw/zinc/76/68/09/733766809.db2.gz LNTICTVRFRRNMC-KFWWJZLASA-N 1 1 335.448 0.515 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC000970652734 733786878 /nfs/dbraw/zinc/78/68/78/733786878.db2.gz DWEHAYKNHWGVNP-KGLIPLIRSA-N 1 1 337.464 0.618 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000973105143 738750916 /nfs/dbraw/zinc/75/09/16/738750916.db2.gz WZWJNJXXJBSTPV-SUJAAXHWSA-N 1 1 335.448 0.825 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCCCC)C[C@H]32)nn1 ZINC001114942416 733798014 /nfs/dbraw/zinc/79/80/14/733798014.db2.gz LYBODQUBKYEZSQ-VIKVFOODSA-N 1 1 346.435 0.040 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCCCC)C[C@H]32)nn1 ZINC001114942416 733798017 /nfs/dbraw/zinc/79/80/17/733798017.db2.gz LYBODQUBKYEZSQ-VIKVFOODSA-N 1 1 346.435 0.040 20 30 ECEDMO C=CCOCC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001098540549 733854041 /nfs/dbraw/zinc/85/40/41/733854041.db2.gz SKCICUSMFSPVAJ-UHFFFAOYSA-N 1 1 341.496 0.816 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H](C)C1C[NH+]([C@H](CC)C(N)=O)C1 ZINC000970715084 733864054 /nfs/dbraw/zinc/86/40/54/733864054.db2.gz WVNCUQVTIUSWLQ-TZMCWYRMSA-N 1 1 346.431 0.960 20 30 ECEDMO N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000970754115 733910749 /nfs/dbraw/zinc/91/07/49/733910749.db2.gz GNDZVYZACNBYGN-HZPDHXFCSA-N 1 1 347.440 0.826 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC000970766581 733924156 /nfs/dbraw/zinc/92/41/56/733924156.db2.gz MGUOSALIQPXRDN-STQMWFEESA-N 1 1 328.416 0.590 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001078158436 782398799 /nfs/dbraw/zinc/39/87/99/782398799.db2.gz DVACIJYKJWRJDZ-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cccn3C)C2)C1=O ZINC000971090361 734250173 /nfs/dbraw/zinc/25/01/73/734250173.db2.gz DBWJDORGVCQGLY-GOEBONIOSA-N 1 1 330.432 0.958 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(c3nccnc3C#N)CCO2)C1 ZINC001104321679 734296616 /nfs/dbraw/zinc/29/66/16/734296616.db2.gz LPVIZVVJCKZAIN-ZIAGYGMSSA-N 1 1 344.419 0.011 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2nc(C)cc(C#N)n2)CCO1 ZINC001104322741 734301011 /nfs/dbraw/zinc/30/10/11/734301011.db2.gz AKUXEHCGGJBCAO-OAHLLOKOSA-N 1 1 346.435 0.320 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 ZINC001104323279 734302899 /nfs/dbraw/zinc/30/28/99/734302899.db2.gz MPIQBEQNHQTUBT-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](CCC)NC(N)=O)CC1 ZINC001098547765 734306026 /nfs/dbraw/zinc/30/60/26/734306026.db2.gz GRFWOVJWMYTUNK-CQSZACIVSA-N 1 1 326.441 0.295 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](CCC)NC(N)=O)CC1 ZINC001098548034 734313612 /nfs/dbraw/zinc/31/36/12/734313612.db2.gz LVJHLCIOUKXCCJ-OAHLLOKOSA-N 1 1 340.468 0.685 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)c2cnn(C)c2OC)CC1 ZINC001098548148 734320132 /nfs/dbraw/zinc/32/01/32/734320132.db2.gz PZVATCAQGVERFS-UHFFFAOYSA-N 1 1 336.436 0.904 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC)c(OC)c2)C1 ZINC001078163383 782408434 /nfs/dbraw/zinc/40/84/34/782408434.db2.gz KSBDMYWCYGGDBV-HUUCEWRRSA-N 1 1 332.400 0.892 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)C1=O ZINC000971222006 734367750 /nfs/dbraw/zinc/36/77/50/734367750.db2.gz TXLUMPPBFXMGLJ-GDBMZVCRSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)C(=O)C(C)(C)C)C2)C1=O ZINC000971224779 734374834 /nfs/dbraw/zinc/37/48/34/734374834.db2.gz BWWBKUGSFXHQHY-KGLIPLIRSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)C(=O)C(C)(C)C)C2)C1=O ZINC000971224779 734374836 /nfs/dbraw/zinc/37/48/36/734374836.db2.gz BWWBKUGSFXHQHY-KGLIPLIRSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3ccn(C)c3)C2)C1=O ZINC000971339734 734457880 /nfs/dbraw/zinc/45/78/80/734457880.db2.gz HUIZIPDHQOHNMO-JKSUJKDBSA-N 1 1 330.432 0.958 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)nc3OC)[C@H]2C1 ZINC001083216309 734461288 /nfs/dbraw/zinc/46/12/88/734461288.db2.gz SSMZCIIDIHTPGO-JKSUJKDBSA-N 1 1 329.400 0.947 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)nc3OC)[C@H]2C1 ZINC001083216309 734461289 /nfs/dbraw/zinc/46/12/89/734461289.db2.gz SSMZCIIDIHTPGO-JKSUJKDBSA-N 1 1 329.400 0.947 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000971380743 734490972 /nfs/dbraw/zinc/49/09/72/734490972.db2.gz UWSRYEYCKRMYNG-BBRMVZONSA-N 1 1 348.472 0.983 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001078171015 782420986 /nfs/dbraw/zinc/42/09/86/782420986.db2.gz NJQPGVYIUSBGFK-HZPDHXFCSA-N 1 1 327.384 0.975 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971453092 734607405 /nfs/dbraw/zinc/60/74/05/734607405.db2.gz YOMYUWXWQKLTDW-ZFWWWQNUSA-N 1 1 346.362 0.838 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971453092 734607407 /nfs/dbraw/zinc/60/74/07/734607407.db2.gz YOMYUWXWQKLTDW-ZFWWWQNUSA-N 1 1 346.362 0.838 20 30 ECEDMO CC(C)N(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125527960 734805070 /nfs/dbraw/zinc/80/50/70/734805070.db2.gz PQNMDVYGCHPWDJ-AWEZNQCLSA-N 1 1 330.436 0.973 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC001083221457 734814505 /nfs/dbraw/zinc/81/45/05/734814505.db2.gz CREWKWNPUSNJFP-IXDOHACOSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC001083221457 734814509 /nfs/dbraw/zinc/81/45/09/734814509.db2.gz CREWKWNPUSNJFP-IXDOHACOSA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC000971785655 735051089 /nfs/dbraw/zinc/05/10/89/735051089.db2.gz XZMVJTGHQRTJEZ-AWEZNQCLSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC000971785655 735051092 /nfs/dbraw/zinc/05/10/92/735051092.db2.gz XZMVJTGHQRTJEZ-AWEZNQCLSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001078197202 782475978 /nfs/dbraw/zinc/47/59/78/782475978.db2.gz GXYXPKXTPYLFJY-UKRRQHHQSA-N 1 1 329.404 0.697 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001078197202 782475981 /nfs/dbraw/zinc/47/59/81/782475981.db2.gz GXYXPKXTPYLFJY-UKRRQHHQSA-N 1 1 329.404 0.697 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cncnc2CC)CC1 ZINC001098562569 735579447 /nfs/dbraw/zinc/57/94/47/735579447.db2.gz ZAGUERWMKDUKNQ-UHFFFAOYSA-N 1 1 330.432 0.961 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972080756 735619445 /nfs/dbraw/zinc/61/94/45/735619445.db2.gz WCBRFPATLAKHRY-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972080756 735619448 /nfs/dbraw/zinc/61/94/48/735619448.db2.gz WCBRFPATLAKHRY-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)CCc2ccc(OC)nc2)[C@H](OC)C1 ZINC001213158535 735620076 /nfs/dbraw/zinc/62/00/76/735620076.db2.gz RTRXFWCFNZEBQH-HZPDHXFCSA-N 1 1 331.416 0.862 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)cc3F)C2)n1 ZINC000972115847 735660959 /nfs/dbraw/zinc/66/09/59/735660959.db2.gz MJOOFJVMLBDVBS-CYBMUJFWSA-N 1 1 343.366 0.567 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3F)C2)n1 ZINC000972115847 735660963 /nfs/dbraw/zinc/66/09/63/735660963.db2.gz MJOOFJVMLBDVBS-CYBMUJFWSA-N 1 1 343.366 0.567 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](CC)N2CCCC2=O)CC1 ZINC001098563998 735662538 /nfs/dbraw/zinc/66/25/38/735662538.db2.gz IVKWODMFJHSTSG-INIZCTEOSA-N 1 1 337.464 0.859 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3c(C)cnn3C)C2)C1=O ZINC000972123862 735673792 /nfs/dbraw/zinc/67/37/92/735673792.db2.gz FFYNABRBHQGOOA-GJZGRUSLSA-N 1 1 345.447 0.662 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972224071 735809623 /nfs/dbraw/zinc/80/96/23/735809623.db2.gz MAWIKMMWKQZHSB-HNNXBMFYSA-N 1 1 326.400 0.856 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972224071 735809628 /nfs/dbraw/zinc/80/96/28/735809628.db2.gz MAWIKMMWKQZHSB-HNNXBMFYSA-N 1 1 326.400 0.856 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000972325359 735946977 /nfs/dbraw/zinc/94/69/77/735946977.db2.gz ZTZQLPVOTCVSTE-MELADBBJSA-N 1 1 343.855 0.907 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000972325359 735946981 /nfs/dbraw/zinc/94/69/81/735946981.db2.gz ZTZQLPVOTCVSTE-MELADBBJSA-N 1 1 343.855 0.907 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC000972349456 735986503 /nfs/dbraw/zinc/98/65/03/735986503.db2.gz ZAANRRUOXUJCRY-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001078219987 782512583 /nfs/dbraw/zinc/51/25/83/782512583.db2.gz UTXLULBILXQRTF-ARFHVFGLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001078221132 782513692 /nfs/dbraw/zinc/51/36/92/782513692.db2.gz JOUHXTWPWQHCOD-BZUAXINKSA-N 1 1 337.464 0.761 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972408402 736144631 /nfs/dbraw/zinc/14/46/31/736144631.db2.gz NWJAODMAILUMND-KRWDZBQOSA-N 1 1 342.403 0.846 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972408402 736144634 /nfs/dbraw/zinc/14/46/34/736144634.db2.gz NWJAODMAILUMND-KRWDZBQOSA-N 1 1 342.403 0.846 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972410948 736145126 /nfs/dbraw/zinc/14/51/26/736145126.db2.gz YCKNNENUXZEGRD-CRAIPNDOSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972410948 736145128 /nfs/dbraw/zinc/14/51/28/736145128.db2.gz YCKNNENUXZEGRD-CRAIPNDOSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nc[nH]c4n3)C2)C1 ZINC000972429181 736178299 /nfs/dbraw/zinc/17/82/99/736178299.db2.gz ZFKYUYKUKFTXBK-GOSISDBHSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nc[nH]c4n3)C2)C1 ZINC000972429181 736178303 /nfs/dbraw/zinc/17/83/03/736178303.db2.gz ZFKYUYKUKFTXBK-GOSISDBHSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972436788 736189513 /nfs/dbraw/zinc/18/95/13/736189513.db2.gz DSOLNIPDNJDITJ-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972436788 736189515 /nfs/dbraw/zinc/18/95/15/736189515.db2.gz DSOLNIPDNJDITJ-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972439600 736197074 /nfs/dbraw/zinc/19/70/74/736197074.db2.gz WRKUGCBOXSYORD-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972439600 736197076 /nfs/dbraw/zinc/19/70/76/736197076.db2.gz WRKUGCBOXSYORD-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972440802 736199961 /nfs/dbraw/zinc/19/99/61/736199961.db2.gz LJHMUNSLENPWSO-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972453336 736236674 /nfs/dbraw/zinc/23/66/74/736236674.db2.gz KOJJLIDBQYDCOP-GOSISDBHSA-N 1 1 346.431 0.617 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972459681 736254433 /nfs/dbraw/zinc/25/44/33/736254433.db2.gz ZMTYCWLWDQKKOC-QGZVFWFLSA-N 1 1 333.388 0.872 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc(OC)n3)C2)C1 ZINC000972461278 736256757 /nfs/dbraw/zinc/25/67/57/736256757.db2.gz QKHZTRCWUUWDGM-KRWDZBQOSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc(OC)n3)C2)C1 ZINC000972461278 736256759 /nfs/dbraw/zinc/25/67/59/736256759.db2.gz QKHZTRCWUUWDGM-KRWDZBQOSA-N 1 1 330.388 0.425 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3ccn(CC)n3)C2)C1=O ZINC000972478366 736303359 /nfs/dbraw/zinc/30/33/59/736303359.db2.gz LMNSRMSJUHURCN-GOEBONIOSA-N 1 1 345.447 0.836 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972501692 736431065 /nfs/dbraw/zinc/43/10/65/736431065.db2.gz IEJUGXUGJVMAOE-MAUKXSAKSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC1 ZINC001098575063 736482840 /nfs/dbraw/zinc/48/28/40/736482840.db2.gz APMRJEYJXFGHNX-CQSZACIVSA-N 1 1 346.493 0.529 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CN(CC#N)CCO3)C1 ZINC000972516580 736525803 /nfs/dbraw/zinc/52/58/03/736525803.db2.gz APLDCRBXIIPTQM-SJLPKXTDSA-N 1 1 334.464 0.935 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC000972521448 736552342 /nfs/dbraw/zinc/55/23/42/736552342.db2.gz RBYUULIITSIGNI-XYJFISCASA-N 1 1 340.427 0.767 20 30 ECEDMO C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001039575999 736578248 /nfs/dbraw/zinc/57/82/48/736578248.db2.gz JOVRESCPDASGMH-YJBOKZPZSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039578880 736584360 /nfs/dbraw/zinc/58/43/60/736584360.db2.gz AUPYCRCZZTVEQI-GOSISDBHSA-N 1 1 335.448 0.354 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001023296117 736655672 /nfs/dbraw/zinc/65/56/72/736655672.db2.gz OZFKAJIVUJOBRW-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001023320175 736680351 /nfs/dbraw/zinc/68/03/51/736680351.db2.gz VBIBSYJWFRDFPW-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001028177431 751374556 /nfs/dbraw/zinc/37/45/56/751374556.db2.gz CCFKGFGPQPHHIA-NSHDSACASA-N 1 1 340.811 0.031 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001028177431 751374564 /nfs/dbraw/zinc/37/45/64/751374564.db2.gz CCFKGFGPQPHHIA-NSHDSACASA-N 1 1 340.811 0.031 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2ccon2)C1 ZINC001059846893 751375881 /nfs/dbraw/zinc/37/58/81/751375881.db2.gz HOVPXTLOQFOJSM-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2ccon2)C1 ZINC001059846893 751375887 /nfs/dbraw/zinc/37/58/87/751375887.db2.gz HOVPXTLOQFOJSM-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001023424126 736807434 /nfs/dbraw/zinc/80/74/34/736807434.db2.gz OMUXIRVLQBOMGC-SJORKVTESA-N 1 1 346.475 0.145 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC000972564395 736813861 /nfs/dbraw/zinc/81/38/61/736813861.db2.gz FNUFJMJRHCHIBH-HUUCEWRRSA-N 1 1 345.447 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001023463857 736874929 /nfs/dbraw/zinc/87/49/29/736874929.db2.gz XMLODNZVZZQLFA-OAHLLOKOSA-N 1 1 331.416 0.570 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001023469491 736880670 /nfs/dbraw/zinc/88/06/70/736880670.db2.gz GBOINFFQIFIMAK-ZDUSSCGKSA-N 1 1 342.399 0.878 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccncn3)C2)C1=O ZINC000972577010 736909713 /nfs/dbraw/zinc/90/97/13/736909713.db2.gz YPVGGVKMEIOQBK-DZGCQCFKSA-N 1 1 329.404 0.410 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC([N@H+](CCO)CCOCC)CC1 ZINC001098577429 736917138 /nfs/dbraw/zinc/91/71/38/736917138.db2.gz JSQBZCPFKGXRQT-HNNXBMFYSA-N 1 1 328.453 0.899 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@@H](C)O)CCO3)nn1 ZINC000972589335 736997700 /nfs/dbraw/zinc/99/77/00/736997700.db2.gz HEGCINRQPRWDBK-RHSMWYFYSA-N 1 1 349.435 0.152 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@@H](C)O)CCO3)nn1 ZINC000972589335 736997702 /nfs/dbraw/zinc/99/77/02/736997702.db2.gz HEGCINRQPRWDBK-RHSMWYFYSA-N 1 1 349.435 0.152 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)s1 ZINC001023566022 737018336 /nfs/dbraw/zinc/01/83/36/737018336.db2.gz HSSKOQKPCSGPBI-BXUZGUMPSA-N 1 1 347.444 0.629 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001023605965 737066259 /nfs/dbraw/zinc/06/62/59/737066259.db2.gz NUILXVIBAJHWGC-GJZGRUSLSA-N 1 1 330.436 0.477 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)cc1 ZINC000981971853 751385527 /nfs/dbraw/zinc/38/55/27/751385527.db2.gz LWUXHGUKOOHRSF-UHFFFAOYSA-N 1 1 342.399 0.499 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001023626490 737111328 /nfs/dbraw/zinc/11/13/28/737111328.db2.gz ADNDLYSDTRJGHK-LSDHHAIUSA-N 1 1 326.462 0.663 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001023626490 737111329 /nfs/dbraw/zinc/11/13/29/737111329.db2.gz ADNDLYSDTRJGHK-LSDHHAIUSA-N 1 1 326.462 0.663 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CCn3cncn3)C2)nn1 ZINC001023637552 737124320 /nfs/dbraw/zinc/12/43/20/737124320.db2.gz PDQHBSGWCZSDGB-AWEZNQCLSA-N 1 1 344.423 0.198 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001023639770 737128079 /nfs/dbraw/zinc/12/80/79/737128079.db2.gz MWHIZXVJATXLLK-CQSZACIVSA-N 1 1 348.451 0.384 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972629857 737161616 /nfs/dbraw/zinc/16/16/16/737161616.db2.gz DOHPOEXKKDTMET-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972629857 737161618 /nfs/dbraw/zinc/16/16/18/737161618.db2.gz DOHPOEXKKDTMET-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccn2C)C1 ZINC001111591112 737171248 /nfs/dbraw/zinc/17/12/48/737171248.db2.gz JREGEQFUJROLBL-DOXZYTNZSA-N 1 1 342.443 0.747 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001023699493 737217248 /nfs/dbraw/zinc/21/72/48/737217248.db2.gz FNUYFCQRQUHAKD-NSHDSACASA-N 1 1 336.392 0.914 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001023706484 737222657 /nfs/dbraw/zinc/22/26/57/737222657.db2.gz ROMATSPMFFDAAO-BZUAXINKSA-N 1 1 349.475 0.903 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC001023708322 737226489 /nfs/dbraw/zinc/22/64/89/737226489.db2.gz AQYVPHIDMBDPQN-ZBFHGGJFSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001023709937 737227940 /nfs/dbraw/zinc/22/79/40/737227940.db2.gz FFTXUMULEZIECU-CZUORRHYSA-N 1 1 326.400 0.393 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC000972647160 737247269 /nfs/dbraw/zinc/24/72/69/737247269.db2.gz OJEHPISSJWITQD-GOSISDBHSA-N 1 1 346.431 0.431 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC000972647160 737247273 /nfs/dbraw/zinc/24/72/73/737247273.db2.gz OJEHPISSJWITQD-GOSISDBHSA-N 1 1 346.431 0.431 20 30 ECEDMO C=CCCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067464194 737324968 /nfs/dbraw/zinc/32/49/68/737324968.db2.gz YYYZRMJAYGCTCS-OAHLLOKOSA-N 1 1 325.453 0.838 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 ZINC000972676984 737356952 /nfs/dbraw/zinc/35/69/52/737356952.db2.gz NMSLHXMEGOIAOV-GOSISDBHSA-N 1 1 329.400 0.175 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 ZINC000972676984 737356959 /nfs/dbraw/zinc/35/69/59/737356959.db2.gz NMSLHXMEGOIAOV-GOSISDBHSA-N 1 1 329.400 0.175 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 ZINC001098582647 737382764 /nfs/dbraw/zinc/38/27/64/737382764.db2.gz XIFDUDUHEZDMKT-UHFFFAOYSA-N 1 1 344.415 0.103 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC001098582704 737384641 /nfs/dbraw/zinc/38/46/41/737384641.db2.gz ZZDNNIKMFMDUSJ-MRXNPFEDSA-N 1 1 332.448 0.979 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972694514 737403184 /nfs/dbraw/zinc/40/31/84/737403184.db2.gz CODBGQPIAWYICO-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001023890612 737464885 /nfs/dbraw/zinc/46/48/85/737464885.db2.gz DBXHSLJTIACZSG-LSDHHAIUSA-N 1 1 345.447 0.947 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972707425 737519579 /nfs/dbraw/zinc/51/95/79/737519579.db2.gz JHTKGEFPEFNRSB-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972707425 737519582 /nfs/dbraw/zinc/51/95/82/737519582.db2.gz JHTKGEFPEFNRSB-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023968405 737553984 /nfs/dbraw/zinc/55/39/84/737553984.db2.gz VIOIHGJVMZYKOD-KBUPBQIOSA-N 1 1 337.464 0.617 20 30 ECEDMO C=CCN1CC[C@@H](N(C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000972734983 737570022 /nfs/dbraw/zinc/57/00/22/737570022.db2.gz IOOSMIOZESUEAX-HZPDHXFCSA-N 1 1 346.475 0.402 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)nc1 ZINC000972756806 737597980 /nfs/dbraw/zinc/59/79/80/737597980.db2.gz PKRGCIGRRFEHDQ-GDBMZVCRSA-N 1 1 326.400 0.440 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC000972757599 737598927 /nfs/dbraw/zinc/59/89/27/737598927.db2.gz SZMGFWBCWWKOOM-OLZOCXBDSA-N 1 1 330.388 0.114 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 ZINC001105285019 741644120 /nfs/dbraw/zinc/64/41/20/741644120.db2.gz AFKODOHSBAXOHF-VBNZEHGJSA-N 1 1 331.420 0.752 20 30 ECEDMO C=CCC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039731648 737921769 /nfs/dbraw/zinc/92/17/69/737921769.db2.gz AUIBZKHLJXBPJC-RDTXWAMCSA-N 1 1 337.464 0.620 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCn2cncn2)c[nH]1 ZINC001024399123 737940227 /nfs/dbraw/zinc/94/02/27/737940227.db2.gz DMDUOXUTFQIVMK-HNNXBMFYSA-N 1 1 327.392 0.762 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cncnc2)C1=O ZINC001024407910 737945544 /nfs/dbraw/zinc/94/55/44/737945544.db2.gz SZPNMKFCVUTNOG-HOTGVXAUSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cncnc2)C1=O ZINC001024407910 737945549 /nfs/dbraw/zinc/94/55/49/737945549.db2.gz SZPNMKFCVUTNOG-HOTGVXAUSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001024478175 738006263 /nfs/dbraw/zinc/00/62/63/738006263.db2.gz SDURIYPZEVTZEG-GFCCVEGCSA-N 1 1 327.388 0.891 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)[C@@H]21 ZINC001087279041 738076068 /nfs/dbraw/zinc/07/60/68/738076068.db2.gz QKJPTJHDFVKELW-FVQBIDKESA-N 1 1 343.431 0.851 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]2CCC[N@@H+](CC(N)=O)[C@H]21 ZINC001087282433 738099108 /nfs/dbraw/zinc/09/91/08/738099108.db2.gz YORZDPAIIYXMQP-NILFDRSVSA-N 1 1 329.404 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cn(CCOC)nn1 ZINC001087284402 738109688 /nfs/dbraw/zinc/10/96/88/738109688.db2.gz HQMAUMLRMZXNDL-VNQPRFMTSA-N 1 1 345.447 0.777 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cccn4nnnc34)C(C)(C)[C@H]21 ZINC001087288148 738120134 /nfs/dbraw/zinc/12/01/34/738120134.db2.gz SAZXUHVHRIJINR-SNPRPXQTSA-N 1 1 338.415 0.976 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001024576489 738123000 /nfs/dbraw/zinc/12/30/00/738123000.db2.gz VAHQAPZMUCJNTO-AWEZNQCLSA-N 1 1 341.415 0.939 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001024576489 738123002 /nfs/dbraw/zinc/12/30/02/738123002.db2.gz VAHQAPZMUCJNTO-AWEZNQCLSA-N 1 1 341.415 0.939 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1ncn(C)c1=O ZINC001087292383 738133324 /nfs/dbraw/zinc/13/33/24/738133324.db2.gz KHGWXUVLNSXOGR-VNQPRFMTSA-N 1 1 345.447 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(C)c(=O)cn3)C(C)(C)[C@@H]21 ZINC001087297412 738153573 /nfs/dbraw/zinc/15/35/73/738153573.db2.gz OIEOTFZWBPWHKD-DAXOMENPSA-N 1 1 328.416 0.632 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001024666986 738208313 /nfs/dbraw/zinc/20/83/13/738208313.db2.gz AMUTZNDFHWIYBS-CQSZACIVSA-N 1 1 330.432 0.959 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CC(=O)NC1=O ZINC001087308419 738228648 /nfs/dbraw/zinc/22/86/48/738228648.db2.gz PZTVASIAQQDRAU-UHOFOFEASA-N 1 1 348.447 0.720 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N(C)C)nn1 ZINC001024699278 738229482 /nfs/dbraw/zinc/22/94/82/738229482.db2.gz PWDDRHVUCKLYLJ-ZDUSSCGKSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N(C)C)nn1 ZINC001024699278 738229483 /nfs/dbraw/zinc/22/94/83/738229483.db2.gz PWDDRHVUCKLYLJ-ZDUSSCGKSA-N 1 1 334.424 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cc(F)c[nH]2)C1 ZINC001006448826 751394795 /nfs/dbraw/zinc/39/47/95/751394795.db2.gz JSFUOGHYDUGVPF-LRDDRELGSA-N 1 1 346.406 0.828 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cc(F)c[nH]2)C1 ZINC001006448826 751394800 /nfs/dbraw/zinc/39/48/00/751394800.db2.gz JSFUOGHYDUGVPF-LRDDRELGSA-N 1 1 346.406 0.828 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001024758267 738273781 /nfs/dbraw/zinc/27/37/81/738273781.db2.gz OQTYJSQHZOFFHD-NSHDSACASA-N 1 1 334.376 0.504 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@@H]21 ZINC001087318262 738289970 /nfs/dbraw/zinc/28/99/70/738289970.db2.gz UMUZZGRBSPQOON-DAXOMENPSA-N 1 1 348.447 0.720 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001024786307 738293526 /nfs/dbraw/zinc/29/35/26/738293526.db2.gz FKNHXPVDTCUIOI-CQSZACIVSA-N 1 1 326.404 0.959 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001024786307 738293527 /nfs/dbraw/zinc/29/35/27/738293527.db2.gz FKNHXPVDTCUIOI-CQSZACIVSA-N 1 1 326.404 0.959 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001024799853 738309994 /nfs/dbraw/zinc/30/99/94/738309994.db2.gz QSLIEPZYJWTBQI-GOEBONIOSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001024799853 738309997 /nfs/dbraw/zinc/30/99/97/738309997.db2.gz QSLIEPZYJWTBQI-GOEBONIOSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025241190 738904680 /nfs/dbraw/zinc/90/46/80/738904680.db2.gz VFITZAHCRGVOED-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025276383 738996768 /nfs/dbraw/zinc/99/67/68/738996768.db2.gz JDATYSNFROBFTR-HUUCEWRRSA-N 1 1 348.447 0.960 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@H+]2CC(N)=O)nn1 ZINC001025274950 738997815 /nfs/dbraw/zinc/99/78/15/738997815.db2.gz QETWFQWRQYDOBC-CABCVRRESA-N 1 1 346.435 0.409 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@@H+]2CC(N)=O)nn1 ZINC001025274950 738997817 /nfs/dbraw/zinc/99/78/17/738997817.db2.gz QETWFQWRQYDOBC-CABCVRRESA-N 1 1 346.435 0.409 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cn3ccc(C)n3)CC2)C1=O ZINC000981981328 751405554 /nfs/dbraw/zinc/40/55/54/751405554.db2.gz BRPHBHJCJURETG-MRXNPFEDSA-N 1 1 345.447 0.513 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cn3ccc(C)n3)CC2)C1=O ZINC000981981328 751405558 /nfs/dbraw/zinc/40/55/58/751405558.db2.gz BRPHBHJCJURETG-MRXNPFEDSA-N 1 1 345.447 0.513 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104579733 739065654 /nfs/dbraw/zinc/06/56/54/739065654.db2.gz QEAIBOJHRGSJBU-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104579733 739065657 /nfs/dbraw/zinc/06/56/57/739065657.db2.gz QEAIBOJHRGSJBU-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)cn2)C1 ZINC001104580278 739096484 /nfs/dbraw/zinc/09/64/84/739096484.db2.gz YZIBASZEXDTZML-UKRRQHHQSA-N 1 1 331.420 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)cn2)C1 ZINC001104580278 739096487 /nfs/dbraw/zinc/09/64/87/739096487.db2.gz YZIBASZEXDTZML-UKRRQHHQSA-N 1 1 331.420 0.933 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000973410374 739223531 /nfs/dbraw/zinc/22/35/31/739223531.db2.gz IPVCZSSFRRYORW-YDHLFZDLSA-N 1 1 332.379 0.628 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000973410374 739223533 /nfs/dbraw/zinc/22/35/33/739223533.db2.gz IPVCZSSFRRYORW-YDHLFZDLSA-N 1 1 332.379 0.628 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3c[nH+]cc3C)C2)nc1 ZINC000973457963 739320370 /nfs/dbraw/zinc/32/03/70/739320370.db2.gz QNNPIIMRSJSYDD-SHTZXODSSA-N 1 1 337.383 0.645 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc1 ZINC000973484969 739378955 /nfs/dbraw/zinc/37/89/55/739378955.db2.gz AJJCXCPXGPIEED-BPUTZDHNSA-N 1 1 340.427 0.782 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001041977671 782531465 /nfs/dbraw/zinc/53/14/65/782531465.db2.gz FHOYHCCDSDMDJN-OSAQELSMSA-N 1 1 328.420 0.549 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001078232381 782532022 /nfs/dbraw/zinc/53/20/22/782532022.db2.gz XSBIEIVGAUVRMZ-JHJVBQTASA-N 1 1 333.354 0.198 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)c1 ZINC001025529579 739692332 /nfs/dbraw/zinc/69/23/32/739692332.db2.gz CGHJGNMCPJELSF-GDBMZVCRSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001025533250 739695232 /nfs/dbraw/zinc/69/52/32/739695232.db2.gz IBGBOIDUVBUXOW-GHMZBOCLSA-N 1 1 341.437 0.073 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)c(C)sc3=O)[C@H]2C1 ZINC001083283498 739741453 /nfs/dbraw/zinc/74/14/53/739741453.db2.gz FGDIZNBJRADQQD-LSDHHAIUSA-N 1 1 349.456 0.462 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000988045527 751476323 /nfs/dbraw/zinc/47/63/23/751476323.db2.gz HRQNBTFDZPQRIB-ULQDDVLXSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000988045527 751476324 /nfs/dbraw/zinc/47/63/24/751476324.db2.gz HRQNBTFDZPQRIB-ULQDDVLXSA-N 1 1 347.459 0.427 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025618026 739780343 /nfs/dbraw/zinc/78/03/43/739780343.db2.gz HYIPULOLKHPQME-OLZOCXBDSA-N 1 1 334.420 0.892 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)[C@H]2C1 ZINC001083285052 739817790 /nfs/dbraw/zinc/81/77/90/739817790.db2.gz CVLHEWFOLONZEU-JKSUJKDBSA-N 1 1 342.399 0.990 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)[C@H]2C1 ZINC001083285052 739817797 /nfs/dbraw/zinc/81/77/97/739817797.db2.gz CVLHEWFOLONZEU-JKSUJKDBSA-N 1 1 342.399 0.990 20 30 ECEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc(C2CC2)no1 ZINC001114946775 751486549 /nfs/dbraw/zinc/48/65/49/751486549.db2.gz AMBBKZNJVDNXKP-HALDLXJZSA-N 1 1 344.415 0.576 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058658810 739901465 /nfs/dbraw/zinc/90/14/65/739901465.db2.gz MAWSIYXUSRUOKS-HUUCEWRRSA-N 1 1 338.452 0.346 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCCCO2)C1=O ZINC001025732249 739907865 /nfs/dbraw/zinc/90/78/65/739907865.db2.gz LMUWIXRLCXFVBM-LFRCEIEQSA-N 1 1 347.459 0.779 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCCN2C)C1=O ZINC001025820292 740007730 /nfs/dbraw/zinc/00/77/30/740007730.db2.gz JUYGZIHJZNSZIY-JJTUDDRGSA-N 1 1 346.475 0.304 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCCN2C)C1=O ZINC001025820292 740007734 /nfs/dbraw/zinc/00/77/34/740007734.db2.gz JUYGZIHJZNSZIY-JJTUDDRGSA-N 1 1 346.475 0.304 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001068464015 790320757 /nfs/dbraw/zinc/32/07/57/790320757.db2.gz UJOHDDZMMSYIJX-CABCVRRESA-N 1 1 335.448 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2cocn2)C1 ZINC000988088880 751517067 /nfs/dbraw/zinc/51/70/67/751517067.db2.gz RRVXKDQXPDDTTQ-HOCLYGCPSA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2cocn2)C1 ZINC000988088880 751517073 /nfs/dbraw/zinc/51/70/73/751517073.db2.gz RRVXKDQXPDDTTQ-HOCLYGCPSA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CCOC2)C1 ZINC000988089534 751518841 /nfs/dbraw/zinc/51/88/41/751518841.db2.gz WNABOTWZRQMBNO-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CCOC2)C1 ZINC000988089534 751518847 /nfs/dbraw/zinc/51/88/47/751518847.db2.gz WNABOTWZRQMBNO-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001068463472 790318681 /nfs/dbraw/zinc/31/86/81/790318681.db2.gz HOPLKECOWOPZRF-HZPDHXFCSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001068463470 790318812 /nfs/dbraw/zinc/31/88/12/790318812.db2.gz HOPLKECOWOPZRF-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[C@H]2C(N)=O)c1 ZINC001025937107 740264927 /nfs/dbraw/zinc/26/49/27/740264927.db2.gz HDWNIAVCQNTHAA-MTSZKFMLSA-N 1 1 338.411 0.616 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1 ZINC001025937505 740266258 /nfs/dbraw/zinc/26/62/58/740266258.db2.gz NJMGGBBAKKGMLP-MTSZKFMLSA-N 1 1 338.411 0.616 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)c1 ZINC001087389570 740333612 /nfs/dbraw/zinc/33/36/12/740333612.db2.gz LUFNJGWWOUMFEI-SVGFKBNWSA-N 1 1 338.411 0.331 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104794818 740519191 /nfs/dbraw/zinc/51/91/91/740519191.db2.gz MEWMWBWQEYVHAB-ZFWWWQNUSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104794818 740519192 /nfs/dbraw/zinc/51/91/92/740519192.db2.gz MEWMWBWQEYVHAB-ZFWWWQNUSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104794973 740519205 /nfs/dbraw/zinc/51/92/05/740519205.db2.gz OUJATVDBLQCDGN-UKRRQHHQSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104794973 740519206 /nfs/dbraw/zinc/51/92/06/740519206.db2.gz OUJATVDBLQCDGN-UKRRQHHQSA-N 1 1 346.435 0.716 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCC(NC(C)=O)CC3)[C@H]2C1 ZINC001083292050 740547755 /nfs/dbraw/zinc/54/77/55/740547755.db2.gz MIWDKUPJNKINIT-ZGUYJTEBSA-N 1 1 347.459 0.616 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCC(NC(C)=O)CC3)[C@H]2C1 ZINC001083292050 740547757 /nfs/dbraw/zinc/54/77/57/740547757.db2.gz MIWDKUPJNKINIT-ZGUYJTEBSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnsn2)C1 ZINC000973916580 740591737 /nfs/dbraw/zinc/59/17/37/740591737.db2.gz AHHMAGKDSDGFKI-LOWVWBTDSA-N 1 1 333.417 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnsn2)C1 ZINC000973916580 740591740 /nfs/dbraw/zinc/59/17/40/740591740.db2.gz AHHMAGKDSDGFKI-LOWVWBTDSA-N 1 1 333.417 0.013 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(F)nc2)C1 ZINC000973955532 740669032 /nfs/dbraw/zinc/66/90/32/740669032.db2.gz YUYNXPRNNMYSAN-ZNMIVQPWSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(F)nc2)C1 ZINC000973955532 740669033 /nfs/dbraw/zinc/66/90/33/740669033.db2.gz YUYNXPRNNMYSAN-ZNMIVQPWSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000973972931 740702977 /nfs/dbraw/zinc/70/29/77/740702977.db2.gz BNBLFRWYZOGKRU-WCVJEAGWSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000973972931 740702978 /nfs/dbraw/zinc/70/29/78/740702978.db2.gz BNBLFRWYZOGKRU-WCVJEAGWSA-N 1 1 333.432 0.274 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCNC2=O)c1 ZINC001038361418 740724955 /nfs/dbraw/zinc/72/49/55/740724955.db2.gz RQQZKMDYRMDXFW-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCNC2=O)c1 ZINC001038361418 740724958 /nfs/dbraw/zinc/72/49/58/740724958.db2.gz RQQZKMDYRMDXFW-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104869308 740767505 /nfs/dbraw/zinc/76/75/05/740767505.db2.gz SASOPTXZUFZKPJ-OUCADQQQSA-N 1 1 332.408 0.326 20 30 ECEDMO C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104869308 740767509 /nfs/dbraw/zinc/76/75/09/740767509.db2.gz SASOPTXZUFZKPJ-OUCADQQQSA-N 1 1 332.408 0.326 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000974147752 741007145 /nfs/dbraw/zinc/00/71/45/741007145.db2.gz MEVPWJCJTLVOFF-OWYFMNJBSA-N 1 1 335.448 0.683 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCc1ccns1 ZINC001038365903 741031750 /nfs/dbraw/zinc/03/17/50/741031750.db2.gz DDDAMCFHUGEMLQ-ZBFHGGJFSA-N 1 1 332.473 0.974 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCc1ccns1 ZINC001038365903 741031756 /nfs/dbraw/zinc/03/17/56/741031756.db2.gz DDDAMCFHUGEMLQ-ZBFHGGJFSA-N 1 1 332.473 0.974 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000982110178 751602084 /nfs/dbraw/zinc/60/20/84/751602084.db2.gz IJHNKAOZPXXYRS-OAHLLOKOSA-N 1 1 332.448 0.867 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCOCC)C[C@H]1C(F)(F)F ZINC001112068232 741063582 /nfs/dbraw/zinc/06/35/82/741063582.db2.gz OVPGSWKOQMNEDZ-VXGBXAGGSA-N 1 1 349.353 0.141 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000974188314 741071860 /nfs/dbraw/zinc/07/18/60/741071860.db2.gz PHZXHBVEJPIIHQ-DMRZNYOFSA-N 1 1 340.427 0.780 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC001105039477 741222843 /nfs/dbraw/zinc/22/28/43/741222843.db2.gz BPELJRPEZBNVIR-DOMZBBRYSA-N 1 1 343.431 0.882 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC000982139278 751633204 /nfs/dbraw/zinc/63/32/04/751633204.db2.gz RYMVWBBJPDMSKE-UHFFFAOYSA-N 1 1 346.431 0.265 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)ncn3)C2)nn1 ZINC001105213846 741477390 /nfs/dbraw/zinc/47/73/90/741477390.db2.gz PVLMVFRIDIQRBX-UHFFFAOYSA-N 1 1 327.392 0.739 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)nnc3C)C2)nn1 ZINC001105249130 741552670 /nfs/dbraw/zinc/55/26/70/741552670.db2.gz KTJQQIGGMFAIRZ-UHFFFAOYSA-N 1 1 327.392 0.658 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCNC(=O)[C@H]3C[C@@H]3C)C2)nn1 ZINC001105253766 741567049 /nfs/dbraw/zinc/56/70/49/741567049.db2.gz CJOUWFWHBPCMFB-WFASDCNBSA-N 1 1 346.435 0.099 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCC(NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001026580144 741574739 /nfs/dbraw/zinc/57/47/39/741574739.db2.gz JSTDMSVUBTZHPR-WXRRBKDZSA-N 1 1 332.408 0.222 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCC(NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001026580144 741574741 /nfs/dbraw/zinc/57/47/41/741574741.db2.gz JSTDMSVUBTZHPR-WXRRBKDZSA-N 1 1 332.408 0.222 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3CC)C2)nn1 ZINC001105264585 741595460 /nfs/dbraw/zinc/59/54/60/741595460.db2.gz MBTLTWGTLYJBBJ-UHFFFAOYSA-N 1 1 343.435 0.937 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105264927 741603193 /nfs/dbraw/zinc/60/31/93/741603193.db2.gz ULKIHROKKUJCJE-AWEZNQCLSA-N 1 1 331.424 0.149 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268737 741612109 /nfs/dbraw/zinc/61/21/09/741612109.db2.gz XERDJTMQNJAOIV-ZBFHGGJFSA-N 1 1 343.435 0.291 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000974410703 741639528 /nfs/dbraw/zinc/63/95/28/741639528.db2.gz ZFCSMUJMVUYDEJ-LJIZCISZSA-N 1 1 335.448 0.825 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C3(COC)CC3)C2)nn1 ZINC001105283917 741642294 /nfs/dbraw/zinc/64/22/94/741642294.db2.gz ZJFCYPZZUBRONK-UHFFFAOYSA-N 1 1 349.435 0.380 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001112094214 741643286 /nfs/dbraw/zinc/64/32/86/741643286.db2.gz XYXMKKPCIHKWOK-QJPTWQEYSA-N 1 1 333.354 0.903 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105285702 741645354 /nfs/dbraw/zinc/64/53/54/741645354.db2.gz UHJMRVKDCDOICB-ALYAQQCSSA-N 1 1 343.431 0.751 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CCC)n[nH]3)C2)nn1 ZINC001105297925 741675913 /nfs/dbraw/zinc/67/59/13/741675913.db2.gz YCCVJJARBSZYIL-UHFFFAOYSA-N 1 1 329.408 0.926 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC001026695886 741680778 /nfs/dbraw/zinc/68/07/78/741680778.db2.gz VJACFAOFHZELSD-DZGCQCFKSA-N 1 1 345.447 0.811 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001026710227 741694343 /nfs/dbraw/zinc/69/43/43/741694343.db2.gz JSLDDFIKISLDQD-ZIAGYGMSSA-N 1 1 331.420 0.557 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(OC)cn3)C2)nn1 ZINC001105312682 741731716 /nfs/dbraw/zinc/73/17/16/741731716.db2.gz YDCNVKQQCHNARV-UHFFFAOYSA-N 1 1 342.403 0.583 20 30 ECEDMO C=CCCC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001058729502 741733005 /nfs/dbraw/zinc/73/30/05/741733005.db2.gz LSFQVDAEQSYKOM-OAHLLOKOSA-N 1 1 337.464 0.622 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)c1 ZINC001006681198 751663458 /nfs/dbraw/zinc/66/34/58/751663458.db2.gz DSZPQQVQFKJPAH-HNNXBMFYSA-N 1 1 325.376 0.326 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)c1 ZINC001006681198 751663462 /nfs/dbraw/zinc/66/34/62/751663462.db2.gz DSZPQQVQFKJPAH-HNNXBMFYSA-N 1 1 325.376 0.326 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC000982157426 751665440 /nfs/dbraw/zinc/66/54/40/751665440.db2.gz QXAQKSDLZRSHEC-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327218 741812706 /nfs/dbraw/zinc/81/27/06/741812706.db2.gz WUSIJLCUTBBUSJ-CQSZACIVSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327218 741812711 /nfs/dbraw/zinc/81/27/11/741812711.db2.gz WUSIJLCUTBBUSJ-CQSZACIVSA-N 1 1 330.436 0.116 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccnc(OC)c3)C2)nn1 ZINC001105327192 741812979 /nfs/dbraw/zinc/81/29/79/741812979.db2.gz VRUNDFRTJZMPKG-UHFFFAOYSA-N 1 1 342.403 0.583 20 30 ECEDMO C=CCC1(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001058732911 741827448 /nfs/dbraw/zinc/82/74/48/741827448.db2.gz RIKGOWRIVMAWRF-HNNXBMFYSA-N 1 1 337.464 0.622 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3CC)C2)nn1 ZINC001105330137 741833934 /nfs/dbraw/zinc/83/39/34/741833934.db2.gz QRLDUZQDQZFJPL-CZUORRHYSA-N 1 1 333.436 1.000 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974534907 741878713 /nfs/dbraw/zinc/87/87/13/741878713.db2.gz BWWYFTPNQYXGPO-HUUCEWRRSA-N 1 1 342.399 0.993 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974578625 741910929 /nfs/dbraw/zinc/91/09/29/741910929.db2.gz RBKFPMMDMRPCRJ-TZMCWYRMSA-N 1 1 329.404 0.222 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974645285 741965155 /nfs/dbraw/zinc/96/51/55/741965155.db2.gz SBEBVEVURJGNQI-HUUCEWRRSA-N 1 1 335.448 0.331 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001026865752 741990651 /nfs/dbraw/zinc/99/06/51/741990651.db2.gz KUUHMHJMVHEQNA-NSHDSACASA-N 1 1 326.832 0.927 20 30 ECEDMO CC#CCN1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826147 742225084 /nfs/dbraw/zinc/22/50/84/742225084.db2.gz NPIUJHADHRAABH-IOSXPMGOSA-N 1 1 331.460 0.700 20 30 ECEDMO CC#CCN1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826147 742225085 /nfs/dbraw/zinc/22/50/85/742225085.db2.gz NPIUJHADHRAABH-IOSXPMGOSA-N 1 1 331.460 0.700 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826146 742225140 /nfs/dbraw/zinc/22/51/40/742225140.db2.gz NPIUJHADHRAABH-BWRBCVJASA-N 1 1 331.460 0.700 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826146 742225141 /nfs/dbraw/zinc/22/51/41/742225141.db2.gz NPIUJHADHRAABH-BWRBCVJASA-N 1 1 331.460 0.700 20 30 ECEDMO C=CC[N@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974847945 742241151 /nfs/dbraw/zinc/24/11/51/742241151.db2.gz ZUAUFDWQJXSPNR-ZDUSSCGKSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000974859820 742275262 /nfs/dbraw/zinc/27/52/62/742275262.db2.gz DAHALIDBYSVQQP-HNNXBMFYSA-N 1 1 341.415 0.795 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000974874502 742278776 /nfs/dbraw/zinc/27/87/76/742278776.db2.gz OFVDKOOLPOWONJ-KBPBESRZSA-N 1 1 343.418 0.802 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000974891427 742297145 /nfs/dbraw/zinc/29/71/45/742297145.db2.gz KMBGYIPJOOIITP-GFCCVEGCSA-N 1 1 342.407 0.157 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000974891427 742297147 /nfs/dbraw/zinc/29/71/47/742297147.db2.gz KMBGYIPJOOIITP-GFCCVEGCSA-N 1 1 342.407 0.157 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3cnoc3)C(C)(C)C2)C1=O ZINC000974936129 742376169 /nfs/dbraw/zinc/37/61/69/742376169.db2.gz QWLSVRQDKMQYSU-HUUCEWRRSA-N 1 1 346.431 0.831 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3cnoc3)C(C)(C)C2)C1=O ZINC000974936129 742376173 /nfs/dbraw/zinc/37/61/73/742376173.db2.gz QWLSVRQDKMQYSU-HUUCEWRRSA-N 1 1 346.431 0.831 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974994687 742421836 /nfs/dbraw/zinc/42/18/36/742421836.db2.gz LJSRBUXWJGAHIC-LSDHHAIUSA-N 1 1 341.415 0.566 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C(C)(C)C1 ZINC000975022940 742441618 /nfs/dbraw/zinc/44/16/18/742441618.db2.gz WVACEXDNUKXQOR-NSHDSACASA-N 1 1 341.437 0.073 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000975060358 742466837 /nfs/dbraw/zinc/46/68/37/742466837.db2.gz ACPIGUKTCQMGJQ-ZIAGYGMSSA-N 1 1 330.436 0.476 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C(C)(C)C1 ZINC000975062000 742469156 /nfs/dbraw/zinc/46/91/56/742469156.db2.gz MSVMJFWRCHMSID-HNNXBMFYSA-N 1 1 344.459 0.987 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 ZINC000975116727 742498328 /nfs/dbraw/zinc/49/83/28/742498328.db2.gz RIXLJQRQFLAPCY-AWEZNQCLSA-N 1 1 348.447 0.490 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000975212539 742609688 /nfs/dbraw/zinc/60/96/88/742609688.db2.gz GEGAWRHPSDNLCM-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000975279972 742688599 /nfs/dbraw/zinc/68/85/99/742688599.db2.gz JFIKXGMPBGGENJ-DZGCQCFKSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000975356170 742774429 /nfs/dbraw/zinc/77/44/29/742774429.db2.gz VTXMITFFVUBGIG-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000975356170 742774432 /nfs/dbraw/zinc/77/44/32/742774432.db2.gz VTXMITFFVUBGIG-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2conc2C)[C@H]1C ZINC001020534247 751769227 /nfs/dbraw/zinc/76/92/27/751769227.db2.gz DXDBHNCDJXMUBY-BPUTZDHNSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2conc2C)[C@H]1C ZINC001020534247 751769230 /nfs/dbraw/zinc/76/92/30/751769230.db2.gz DXDBHNCDJXMUBY-BPUTZDHNSA-N 1 1 344.415 0.800 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)cc1F ZINC001028935350 742914264 /nfs/dbraw/zinc/91/42/64/742914264.db2.gz AKKSQSSKSKXOPQ-BBRMVZONSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C(=O)NCC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)c[nH]1 ZINC001125988527 742941083 /nfs/dbraw/zinc/94/10/83/742941083.db2.gz YFTXCLIRAGRBAI-AWEZNQCLSA-N 1 1 329.335 0.571 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001028961241 742997150 /nfs/dbraw/zinc/99/71/50/742997150.db2.gz SSWOZRPVTTYJIJ-ZFWWWQNUSA-N 1 1 345.447 0.811 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001028977024 743040839 /nfs/dbraw/zinc/04/08/39/743040839.db2.gz RJSZYLKOFNVUFZ-OAHLLOKOSA-N 1 1 328.416 0.930 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000997003765 743116310 /nfs/dbraw/zinc/11/63/10/743116310.db2.gz VULBIVXHNQKQLA-QSPRXWTASA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000997003765 743116315 /nfs/dbraw/zinc/11/63/15/743116315.db2.gz VULBIVXHNQKQLA-QSPRXWTASA-N 1 1 345.443 0.226 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1coc(-c2ccccc2)n1 ZINC001125997949 743155449 /nfs/dbraw/zinc/15/54/49/743155449.db2.gz IEDQOTZZBPXXLI-UHFFFAOYSA-N 1 1 340.383 0.687 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087467092 743164868 /nfs/dbraw/zinc/16/48/68/743164868.db2.gz DQKRLKLJAKVXDQ-BZUAXINKSA-N 1 1 346.406 0.967 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997051841 743171640 /nfs/dbraw/zinc/17/16/40/743171640.db2.gz VMLLZBHPQUMHFN-SHBDPFAUSA-N 1 1 347.459 0.779 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cn(CC)nn2)C1=O ZINC001028231970 751802812 /nfs/dbraw/zinc/80/28/12/751802812.db2.gz ZSEJDXPVQCVBJD-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cn(CC)nn2)C1=O ZINC001028231970 751802818 /nfs/dbraw/zinc/80/28/18/751802818.db2.gz ZSEJDXPVQCVBJD-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC000983459550 743220313 /nfs/dbraw/zinc/22/03/13/743220313.db2.gz MAZHILWFEVWAKP-DZKIICNBSA-N 1 1 345.447 0.532 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3[nH]cnc3C)C2)C1=O ZINC001029026141 743319284 /nfs/dbraw/zinc/31/92/84/743319284.db2.gz OGXWJWQJBJRDCL-UONOGXRCSA-N 1 1 331.420 0.557 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)CCCN(C)c1cncc(C#N)n1 ZINC001112144849 743354862 /nfs/dbraw/zinc/35/48/62/743354862.db2.gz JXUYNKZPNTUTPE-UHFFFAOYSA-N 1 1 327.392 0.838 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC000975975392 743423916 /nfs/dbraw/zinc/42/39/16/743423916.db2.gz UBBMGISVZWMHIF-JYJNAYRXSA-N 1 1 348.447 0.318 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([NH2+][C@H]3CCN(C)C3=O)CC2)CC1 ZINC000997362586 743534324 /nfs/dbraw/zinc/53/43/24/743534324.db2.gz ALDPENYCJXJULT-KRWDZBQOSA-N 1 1 346.475 0.143 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(C[NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC000997624523 743716812 /nfs/dbraw/zinc/71/68/12/743716812.db2.gz QLKITGYFIZRPRL-GFCCVEGCSA-N 1 1 333.440 0.916 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](CN(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000988321051 751854306 /nfs/dbraw/zinc/85/43/06/751854306.db2.gz YGUALRYJMDBKPJ-HZPDHXFCSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](CN(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000988321051 751854316 /nfs/dbraw/zinc/85/43/16/751854316.db2.gz YGUALRYJMDBKPJ-HZPDHXFCSA-N 1 1 349.475 0.980 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027343926 743826636 /nfs/dbraw/zinc/82/66/36/743826636.db2.gz KNZXXPVFKAYEAH-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027343926 743826640 /nfs/dbraw/zinc/82/66/40/743826640.db2.gz KNZXXPVFKAYEAH-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344432 743827926 /nfs/dbraw/zinc/82/79/26/743827926.db2.gz VXCIRVCKNMBKKK-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C1CC1 ZINC000976339911 743836145 /nfs/dbraw/zinc/83/61/45/743836145.db2.gz ZYIDKGWTOSUDJX-ZUOZUFPHSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C1CC1 ZINC000976339911 743836149 /nfs/dbraw/zinc/83/61/49/743836149.db2.gz ZYIDKGWTOSUDJX-ZUOZUFPHSA-N 1 1 329.444 0.703 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](CC#CC)C[C@H]2O)cc1 ZINC001078243316 782545651 /nfs/dbraw/zinc/54/56/51/782545651.db2.gz FUEZZSDNVRNYFY-QZTJIDSGSA-N 1 1 328.412 0.979 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](CC#CC)C[C@H]2O)cc1 ZINC001078243316 782545660 /nfs/dbraw/zinc/54/56/60/782545660.db2.gz FUEZZSDNVRNYFY-QZTJIDSGSA-N 1 1 328.412 0.979 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000998115883 743985824 /nfs/dbraw/zinc/98/58/24/743985824.db2.gz LLSAVXJKVKMKHD-OWCLPIDISA-N 1 1 335.448 0.746 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000998134323 743997989 /nfs/dbraw/zinc/99/79/89/743997989.db2.gz XDNCPTBVSVSAKN-OAHLLOKOSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000998134323 743997991 /nfs/dbraw/zinc/99/79/91/743997991.db2.gz XDNCPTBVSVSAKN-OAHLLOKOSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000998548773 744220025 /nfs/dbraw/zinc/22/00/25/744220025.db2.gz FGWSHNWLUUGPBK-INIZCTEOSA-N 1 1 340.427 0.930 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000998548773 744220027 /nfs/dbraw/zinc/22/00/27/744220027.db2.gz FGWSHNWLUUGPBK-INIZCTEOSA-N 1 1 340.427 0.930 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CN(C(=O)C#CC3CC3)C1)CC2 ZINC000998562885 744229339 /nfs/dbraw/zinc/22/93/39/744229339.db2.gz XSCYGGZTVPPDAA-AWEZNQCLSA-N 1 1 326.400 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[C@@H](C)O3)C[C@H]21 ZINC000976736510 744261985 /nfs/dbraw/zinc/26/19/85/744261985.db2.gz NPZJYJIMXDVZFS-BPXZUEPWSA-N 1 1 345.443 0.225 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[C@@H](C)O3)C[C@H]21 ZINC000976736510 744261987 /nfs/dbraw/zinc/26/19/87/744261987.db2.gz NPZJYJIMXDVZFS-BPXZUEPWSA-N 1 1 345.443 0.225 20 30 ECEDMO C[C@@H]([NH2+]C1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C ZINC000998661290 744273505 /nfs/dbraw/zinc/27/35/05/744273505.db2.gz SUKPVFZPYOCVFH-CBZQXFMTSA-N 1 1 328.380 0.364 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001006859019 751909542 /nfs/dbraw/zinc/90/95/42/751909542.db2.gz VSOAKZUIJNOTQN-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001006859019 751909547 /nfs/dbraw/zinc/90/95/47/751909547.db2.gz VSOAKZUIJNOTQN-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]32)cn1 ZINC000976916368 744475712 /nfs/dbraw/zinc/47/57/12/744475712.db2.gz MWOJOEPXCQWQQV-SIXLDLHFSA-N 1 1 338.411 0.201 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC000999195555 744560381 /nfs/dbraw/zinc/56/03/81/744560381.db2.gz SCAKZEZILAVGGV-KFWWJZLASA-N 1 1 333.436 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000977013721 744584131 /nfs/dbraw/zinc/58/41/31/744584131.db2.gz OPRYRZAYGNJRPI-IHEMHTGZSA-N 1 1 341.455 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000977013721 744584133 /nfs/dbraw/zinc/58/41/33/744584133.db2.gz OPRYRZAYGNJRPI-IHEMHTGZSA-N 1 1 341.455 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnsn2)C1 ZINC000999389730 744670770 /nfs/dbraw/zinc/67/07/70/744670770.db2.gz BJKHAFPXOLVQQN-HIFRSBDPSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnsn2)C1 ZINC000999389730 744670773 /nfs/dbraw/zinc/67/07/73/744670773.db2.gz BJKHAFPXOLVQQN-HIFRSBDPSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2csnn2)C1 ZINC000999390724 744671219 /nfs/dbraw/zinc/67/12/19/744671219.db2.gz HDLZYCKKEFQCEW-HIFRSBDPSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2csnn2)C1 ZINC000999390724 744671222 /nfs/dbraw/zinc/67/12/22/744671222.db2.gz HDLZYCKKEFQCEW-HIFRSBDPSA-N 1 1 333.461 0.716 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@H]32)c1 ZINC000977162563 744714790 /nfs/dbraw/zinc/71/47/90/744714790.db2.gz WMLGTTDLBGSWQO-VVLHAWIVSA-N 1 1 338.411 0.344 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]32)c1 ZINC000977157020 744725518 /nfs/dbraw/zinc/72/55/18/744725518.db2.gz FSRXILDMASYTSE-QMCVQRASSA-N 1 1 338.411 0.201 20 30 ECEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCN(C)C(=O)C3)C[C@@]2(C)C1 ZINC000982313318 751943765 /nfs/dbraw/zinc/94/37/65/751943765.db2.gz PTXAYFGDJUAVMA-KDURUIRLSA-N 1 1 348.491 0.507 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC000977216821 744796472 /nfs/dbraw/zinc/79/64/72/744796472.db2.gz GFOXTULTCCOZLR-KDEOKCCVSA-N 1 1 344.415 0.356 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ncccn3)C(C)(C)C2)C1=O ZINC000977393208 744920824 /nfs/dbraw/zinc/92/08/24/744920824.db2.gz TWWDTAMJOZKGKJ-ZIAGYGMSSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ncccn3)C(C)(C)C2)C1=O ZINC000977393208 744920828 /nfs/dbraw/zinc/92/08/28/744920828.db2.gz TWWDTAMJOZKGKJ-ZIAGYGMSSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3nn(CC)nc3C)C2)nn1 ZINC001105382224 744956765 /nfs/dbraw/zinc/95/67/65/744956765.db2.gz BTYGQDCDDSQOSC-UHFFFAOYSA-N 1 1 330.396 0.171 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CC(NCc3ncnn3C)C2)CC1 ZINC000999871065 744973925 /nfs/dbraw/zinc/97/39/25/744973925.db2.gz SXZMOAAAFXDXQE-UHFFFAOYSA-N 1 1 344.463 0.239 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C(C)(C)C1 ZINC000977465824 745052480 /nfs/dbraw/zinc/05/24/80/745052480.db2.gz HKTKCOZTULKFMY-ZDUSSCGKSA-N 1 1 327.388 0.898 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC000977474806 745069059 /nfs/dbraw/zinc/06/90/59/745069059.db2.gz BGKOWEMQENUFIV-HIFRSBDPSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)nc3C)nn2)C1 ZINC000999960723 745103075 /nfs/dbraw/zinc/10/30/75/745103075.db2.gz FTOVCNQKMWEKFN-AWEZNQCLSA-N 1 1 327.392 0.130 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)CC2(C)C)nc1 ZINC000977520112 745112794 /nfs/dbraw/zinc/11/27/94/745112794.db2.gz BJENFEPDVFNOBN-LSDHHAIUSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)nc1 ZINC000977520112 745112796 /nfs/dbraw/zinc/11/27/96/745112796.db2.gz BJENFEPDVFNOBN-LSDHHAIUSA-N 1 1 328.416 0.767 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cccc(=O)[nH]3)nn2)C1 ZINC000999970824 745118610 /nfs/dbraw/zinc/11/86/10/745118610.db2.gz KUYYMBDJFQBZBD-AWEZNQCLSA-N 1 1 340.387 0.579 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3COCCN3C)nn2)C1 ZINC000999973563 745122037 /nfs/dbraw/zinc/12/20/37/745122037.db2.gz GJFVSPNJKPBSAW-HOTGVXAUSA-N 1 1 348.451 0.048 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(C)c3)nn2)C1 ZINC000999978156 745126649 /nfs/dbraw/zinc/12/66/49/745126649.db2.gz FMRNDRLHZKORNU-MRXNPFEDSA-N 1 1 326.404 0.817 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)C3CN(C(C)=O)C3)nn2)C1 ZINC000999978167 745127080 /nfs/dbraw/zinc/12/70/80/745127080.db2.gz FYAPYXHRWYUKAD-INIZCTEOSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnn3CC)nn2)C1 ZINC000999981347 745132352 /nfs/dbraw/zinc/13/23/52/745132352.db2.gz SGGCFMAKAXIIAP-CQSZACIVSA-N 1 1 329.408 0.857 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CN(C(C)=O)C3)nn2)C1 ZINC000999981030 745132475 /nfs/dbraw/zinc/13/24/75/745132475.db2.gz QEBOVDUKSXOARV-MRXNPFEDSA-N 1 1 346.435 0.196 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC000999985986 745139128 /nfs/dbraw/zinc/13/91/28/745139128.db2.gz RZBADLDSWQGYIV-OAHLLOKOSA-N 1 1 325.376 0.268 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@H](C)C(=O)NC)CC2(C)C)cn1 ZINC000977524893 745143657 /nfs/dbraw/zinc/14/36/57/745143657.db2.gz MKEICWPZRDUEFE-DOMZBBRYSA-N 1 1 328.416 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@H](C)C(=O)NC)CC2(C)C)cn1 ZINC000977524893 745143661 /nfs/dbraw/zinc/14/36/61/745143661.db2.gz MKEICWPZRDUEFE-DOMZBBRYSA-N 1 1 328.416 0.638 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]c(=O)[nH]c3C)nn2)C1 ZINC000999989870 745146108 /nfs/dbraw/zinc/14/61/08/745146108.db2.gz GQIUDALUORHXRK-CYBMUJFWSA-N 1 1 345.407 0.768 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnnc3C)nn2)C1 ZINC001000001619 745164297 /nfs/dbraw/zinc/16/42/97/745164297.db2.gz DFAYHQJQABSQEP-AWEZNQCLSA-N 1 1 327.392 0.739 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)c(=O)[nH]3)nn2)C1 ZINC001000018945 745188884 /nfs/dbraw/zinc/18/88/84/745188884.db2.gz BVSLQYDSUDTTDT-CYBMUJFWSA-N 1 1 345.407 0.470 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)C3=NC(=O)N(C)C3)nn2)C1 ZINC001000018945 745188886 /nfs/dbraw/zinc/18/88/86/745188886.db2.gz BVSLQYDSUDTTDT-CYBMUJFWSA-N 1 1 345.407 0.470 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3=NC(=O)N(C)C3)nn2)C1 ZINC001000018945 745188887 /nfs/dbraw/zinc/18/88/87/745188887.db2.gz BVSLQYDSUDTTDT-CYBMUJFWSA-N 1 1 345.407 0.470 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]c(C)nc3C)nn2)C1 ZINC001000019915 745190483 /nfs/dbraw/zinc/19/04/83/745190483.db2.gz HIJRJWLHTGDGEG-AWEZNQCLSA-N 1 1 327.392 0.428 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)c(=O)[nH]3)nn2)C1 ZINC001000020015 745190605 /nfs/dbraw/zinc/19/06/05/745190605.db2.gz IKLHVDCWPTVHFK-CYBMUJFWSA-N 1 1 345.407 0.470 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)C3=NC(=O)N(C)C3)nn2)C1 ZINC001000020015 745190607 /nfs/dbraw/zinc/19/06/07/745190607.db2.gz IKLHVDCWPTVHFK-CYBMUJFWSA-N 1 1 345.407 0.470 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3=NC(=O)N(C)C3)nn2)C1 ZINC001000020015 745190610 /nfs/dbraw/zinc/19/06/10/745190610.db2.gz IKLHVDCWPTVHFK-CYBMUJFWSA-N 1 1 345.407 0.470 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001000030660 745204091 /nfs/dbraw/zinc/20/40/91/745204091.db2.gz RVAAQTHNZRDTAF-CQSZACIVSA-N 1 1 325.376 0.268 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC(=O)N3)nn2)C1 ZINC001000034397 745209412 /nfs/dbraw/zinc/20/94/12/745209412.db2.gz HBBKZJMUFQVXGL-GJZGRUSLSA-N 1 1 346.435 0.386 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(CC)nn3)nn2)C1 ZINC001000035779 745212302 /nfs/dbraw/zinc/21/23/02/745212302.db2.gz MJAMKMNRRGWMKI-CQSZACIVSA-N 1 1 344.423 0.642 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC(=O)N3C)nn2)C1 ZINC001000043365 745224440 /nfs/dbraw/zinc/22/44/40/745224440.db2.gz KERCQXLGIRUNEQ-CABCVRRESA-N 1 1 346.435 0.338 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3CC)nn2)C1 ZINC001000044561 745225062 /nfs/dbraw/zinc/22/50/62/745225062.db2.gz WOGOAZRFGSOLGZ-IRXDYDNUSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)nn2)C1 ZINC001000044561 745225067 /nfs/dbraw/zinc/22/50/67/745225067.db2.gz WOGOAZRFGSOLGZ-IRXDYDNUSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3CC)nn2)C1 ZINC001000044562 745225264 /nfs/dbraw/zinc/22/52/64/745225264.db2.gz WOGOAZRFGSOLGZ-SJORKVTESA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)nn2)C1 ZINC001000044562 745225270 /nfs/dbraw/zinc/22/52/70/745225270.db2.gz WOGOAZRFGSOLGZ-SJORKVTESA-N 1 1 344.463 0.649 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3ccn(C)n3)C(C)(C)C2)C1=O ZINC000977583262 745241704 /nfs/dbraw/zinc/24/17/04/745241704.db2.gz CJABEWYFYILITD-GJZGRUSLSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3ccn(C)n3)C(C)(C)C2)C1=O ZINC000977583262 745241712 /nfs/dbraw/zinc/24/17/12/745241712.db2.gz CJABEWYFYILITD-GJZGRUSLSA-N 1 1 345.447 0.647 20 30 ECEDMO C#CCCCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098697987 745243880 /nfs/dbraw/zinc/24/38/80/745243880.db2.gz NICIWBKFRGUJTO-MRXNPFEDSA-N 1 1 333.436 0.717 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000977586627 745247349 /nfs/dbraw/zinc/24/73/49/745247349.db2.gz WJDJXTBQNTXYFR-WFASDCNBSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@]3(C)CCC(=O)N3)C2)nn1 ZINC001105385045 745261252 /nfs/dbraw/zinc/26/12/52/745261252.db2.gz SYQZDHLDMQYWEQ-KRWDZBQOSA-N 1 1 346.435 0.386 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001059235179 745299774 /nfs/dbraw/zinc/29/97/74/745299774.db2.gz MMPWCJYKPAKWNE-UMVBOHGHSA-N 1 1 344.419 0.437 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001059235179 745299776 /nfs/dbraw/zinc/29/97/76/745299776.db2.gz MMPWCJYKPAKWNE-UMVBOHGHSA-N 1 1 344.419 0.437 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001075785267 745395003 /nfs/dbraw/zinc/39/50/03/745395003.db2.gz XIDOSXRGPDBVQD-SQWLQELKSA-N 1 1 343.431 0.871 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001000428172 745492314 /nfs/dbraw/zinc/49/23/14/745492314.db2.gz SSKCFFMQPFJZJA-IPYPFGDCSA-N 1 1 334.424 0.272 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnsn3)C2)nn1 ZINC001098626612 745533282 /nfs/dbraw/zinc/53/32/82/745533282.db2.gz WIKANGXYIZWVRU-GFCCVEGCSA-N 1 1 333.421 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@H]3CCOC3)CC2)C1=O ZINC001000499397 745549005 /nfs/dbraw/zinc/54/90/05/745549005.db2.gz FXTQOSPZEMPWFR-HOTGVXAUSA-N 1 1 333.432 0.558 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1cnc(C#N)cn1 ZINC001126513643 745551841 /nfs/dbraw/zinc/55/18/41/745551841.db2.gz TUINDHGFVDNTFC-AWEZNQCLSA-N 1 1 346.435 0.402 20 30 ECEDMO CN(C(=O)C[N@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1)C1CC1 ZINC001000561500 745596172 /nfs/dbraw/zinc/59/61/72/745596172.db2.gz XAEHVKOQAGJJLZ-UHFFFAOYSA-N 1 1 341.415 0.869 20 30 ECEDMO CN(C(=O)C[N@@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1)C1CC1 ZINC001000561500 745596174 /nfs/dbraw/zinc/59/61/74/745596174.db2.gz XAEHVKOQAGJJLZ-UHFFFAOYSA-N 1 1 341.415 0.869 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccon4)[C@@H]3C2)C1=O ZINC000977866553 745600061 /nfs/dbraw/zinc/60/00/61/745600061.db2.gz QJXDFCZXZRZJDG-GUIRCDHDSA-N 1 1 330.388 0.369 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001029302361 745628078 /nfs/dbraw/zinc/62/80/78/745628078.db2.gz DWBASRFBBXKZNV-XHSDSOJGSA-N 1 1 325.416 0.854 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001006977262 752022843 /nfs/dbraw/zinc/02/28/43/752022843.db2.gz XEMRHNXLVXXFAX-GJZGRUSLSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001006977262 752022849 /nfs/dbraw/zinc/02/28/49/752022849.db2.gz XEMRHNXLVXXFAX-GJZGRUSLSA-N 1 1 332.404 0.585 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C[C@H]1CCOC1 ZINC000977921774 745651462 /nfs/dbraw/zinc/65/14/62/745651462.db2.gz UMNRNNXMGYWTDU-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C[C@H]1CCOC1 ZINC000977921774 745651464 /nfs/dbraw/zinc/65/14/64/745651464.db2.gz UMNRNNXMGYWTDU-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnc(C)[nH]4)[C@@H]3C2)C1=O ZINC000977929148 745684334 /nfs/dbraw/zinc/68/43/34/745684334.db2.gz HZTSCURYASYACT-AYDFFVQHSA-N 1 1 343.431 0.413 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCCN3C)C2)C1=O ZINC000984047153 745733971 /nfs/dbraw/zinc/73/39/71/745733971.db2.gz HNOMGZNYDPQPPA-QBPKDAKJSA-N 1 1 348.491 0.742 20 30 ECEDMO Cn1cc(CC[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)cn1 ZINC000977980497 745741936 /nfs/dbraw/zinc/74/19/36/745741936.db2.gz UKEVLJCYFQJHCL-PHZGNYQRSA-N 1 1 338.415 0.770 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001000902681 745882365 /nfs/dbraw/zinc/88/23/65/745882365.db2.gz FBZDEYYUWOIVAB-UHFFFAOYSA-N 1 1 325.390 0.475 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NCc3nccn3C)C2)CC1 ZINC001000994467 745959585 /nfs/dbraw/zinc/95/95/85/745959585.db2.gz VBLJKOJSNNGLCK-QGZVFWFLSA-N 1 1 343.475 0.846 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001059334706 745986458 /nfs/dbraw/zinc/98/64/58/745986458.db2.gz IKIIMHIXNNAHKX-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ccnnc3)C2)C1=O ZINC001027592981 746004232 /nfs/dbraw/zinc/00/42/32/746004232.db2.gz YSPIXVSBFATUJE-JKSUJKDBSA-N 1 1 343.431 0.800 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)nn3)[C@H]2CC)C1=O ZINC001087563205 746040567 /nfs/dbraw/zinc/04/05/67/746040567.db2.gz JXHUNNUMJVFECY-NWANDNLSSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)nn3)[C@H]2CC)C1=O ZINC001087563205 746040571 /nfs/dbraw/zinc/04/05/71/746040571.db2.gz JXHUNNUMJVFECY-NWANDNLSSA-N 1 1 346.435 0.185 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)no1 ZINC001059342672 746042903 /nfs/dbraw/zinc/04/29/03/746042903.db2.gz WFENFSNXSVLBLI-XYPYZODXSA-N 1 1 341.375 0.771 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nnn(C)c3C2)CC1 ZINC001001088684 746062332 /nfs/dbraw/zinc/06/23/32/746062332.db2.gz XQOLFGNWWLVKJG-HNNXBMFYSA-N 1 1 327.432 0.692 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](C[C@H](O)Cn3cccn3)C2)c1 ZINC001007036053 752056941 /nfs/dbraw/zinc/05/69/41/752056941.db2.gz LKVIHPHEGGMNJW-CABCVRRESA-N 1 1 342.403 0.338 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC000978262187 746107225 /nfs/dbraw/zinc/10/72/25/746107225.db2.gz ANKVZZMPCVDMMS-ZQDZILKHSA-N 1 1 330.432 0.716 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC=C(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)s1 ZINC001001160779 746124824 /nfs/dbraw/zinc/12/48/24/746124824.db2.gz QSYNRWIXHVPUEM-CABCVRRESA-N 1 1 344.440 0.989 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)s1 ZINC001001160779 746124827 /nfs/dbraw/zinc/12/48/27/746124827.db2.gz QSYNRWIXHVPUEM-CABCVRRESA-N 1 1 344.440 0.989 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001001163859 746127844 /nfs/dbraw/zinc/12/78/44/746127844.db2.gz QPFWKJLBTWNFRU-SJORKVTESA-N 1 1 347.459 0.948 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001001163859 746127848 /nfs/dbraw/zinc/12/78/48/746127848.db2.gz QPFWKJLBTWNFRU-SJORKVTESA-N 1 1 347.459 0.948 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)[C@H]3OCC[C@H]3C)CC2)C1=O ZINC001001167578 746131304 /nfs/dbraw/zinc/13/13/04/746131304.db2.gz XMTSIPDPJKHESU-PVAVHDDUSA-N 1 1 347.459 0.947 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001001172496 746135109 /nfs/dbraw/zinc/13/51/09/746135109.db2.gz ZCFYWMIIOHISAU-XKQJLSEDSA-N 1 1 347.459 0.993 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001001172496 746135114 /nfs/dbraw/zinc/13/51/14/746135114.db2.gz ZCFYWMIIOHISAU-XKQJLSEDSA-N 1 1 347.459 0.993 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000978282596 746145163 /nfs/dbraw/zinc/14/51/63/746145163.db2.gz OOLDBCNUEYRQIO-OKYOBFRVSA-N 1 1 338.455 0.973 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)nn1 ZINC001027606896 746161034 /nfs/dbraw/zinc/16/10/34/746161034.db2.gz ORJQTOGYQBXQGB-UKRRQHHQSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001059352051 746180869 /nfs/dbraw/zinc/18/08/69/746180869.db2.gz OANYYZNOQJMAIT-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]nnc3C)[C@H]2CC)C1=O ZINC001087682015 746184124 /nfs/dbraw/zinc/18/41/24/746184124.db2.gz BCBGJYCIGWPLJP-BFHYXJOUSA-N 1 1 346.435 0.483 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2=CC[N@H+]([C@@H](C)C(N)=O)CC2)cc1 ZINC001001235797 746196169 /nfs/dbraw/zinc/19/61/69/746196169.db2.gz XVMYSHNMVDCHIC-AWEZNQCLSA-N 1 1 341.411 0.934 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2=CC[N@@H+]([C@@H](C)C(N)=O)CC2)cc1 ZINC001001235797 746196172 /nfs/dbraw/zinc/19/61/72/746196172.db2.gz XVMYSHNMVDCHIC-AWEZNQCLSA-N 1 1 341.411 0.934 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001001253811 746212125 /nfs/dbraw/zinc/21/21/25/746212125.db2.gz CRQWWEGPMCFHOT-CQSZACIVSA-N 1 1 327.450 0.345 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4c(n3)C[C@@H](OC)CC4)[C@@H]2C1 ZINC000978335075 746217037 /nfs/dbraw/zinc/21/70/37/746217037.db2.gz KWAAGMSTJWDXAN-ZQDZILKHSA-N 1 1 328.416 0.385 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]cc3F)[C@H]2CC)C1=O ZINC001087716002 746232998 /nfs/dbraw/zinc/23/29/98/746232998.db2.gz OLIYGCQQHCAJAT-MJBXVCDLSA-N 1 1 349.410 0.918 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3n[nH]cc3F)[C@H]2CC)C1=O ZINC001087716002 746233001 /nfs/dbraw/zinc/23/30/01/746233001.db2.gz OLIYGCQQHCAJAT-MJBXVCDLSA-N 1 1 349.410 0.918 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@@H]2CC)C1 ZINC001087718442 746234459 /nfs/dbraw/zinc/23/44/59/746234459.db2.gz OPKXTCSCVNBATO-UONOGXRCSA-N 1 1 348.447 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3cccnn3)CC2)C1=O ZINC001001291615 746250282 /nfs/dbraw/zinc/25/02/82/746250282.db2.gz VBHUURSGOPCCKD-INIZCTEOSA-N 1 1 341.415 0.625 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1CC ZINC001087757122 746291127 /nfs/dbraw/zinc/29/11/27/746291127.db2.gz CDSNYOXXGWXJQM-LSDHHAIUSA-N 1 1 346.435 0.171 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087757749 746291674 /nfs/dbraw/zinc/29/16/74/746291674.db2.gz KFUFOOGAQATTLH-ZNMIVQPWSA-N 1 1 343.493 0.956 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ccncn3)C2)C1=O ZINC001027620387 746305727 /nfs/dbraw/zinc/30/57/27/746305727.db2.gz FILFAOPTXJHWHK-GDBMZVCRSA-N 1 1 343.431 0.800 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@H]3CCN(C)C3=O)CC2)cn1 ZINC001001380187 746326358 /nfs/dbraw/zinc/32/63/58/746326358.db2.gz DBKSZGQPGKDESM-KRWDZBQOSA-N 1 1 338.411 0.656 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C(N)=O)cn3C)[C@@H]2C1 ZINC000978441448 746329599 /nfs/dbraw/zinc/32/95/99/746329599.db2.gz OTMSQHNXACBIII-QKDCVEJESA-N 1 1 330.432 0.998 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](CCn3cncn3)CC2)nc1 ZINC001001384846 746331262 /nfs/dbraw/zinc/33/12/62/746331262.db2.gz WPOKYGJOEPPBLA-UHFFFAOYSA-N 1 1 336.399 0.717 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 ZINC000978525027 746404177 /nfs/dbraw/zinc/40/41/77/746404177.db2.gz IQFIHPNAHIOQAX-QKDCVEJESA-N 1 1 339.403 0.541 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3CC(F)F)[C@@H]2C1 ZINC000978526149 746405472 /nfs/dbraw/zinc/40/54/72/746405472.db2.gz MCFKLUGRCFFYPD-APIJFGDWSA-N 1 1 343.418 0.822 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3CC(F)F)[C@@H]2C1 ZINC000978526241 746405827 /nfs/dbraw/zinc/40/58/27/746405827.db2.gz NJTDYXBAULHEIQ-YIYPIFLZSA-N 1 1 329.391 0.432 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1CC ZINC001087821526 746412567 /nfs/dbraw/zinc/41/25/67/746412567.db2.gz OVGIIXLTOMSUPN-WDEREUQCSA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1CC ZINC001087821526 746412569 /nfs/dbraw/zinc/41/25/69/746412569.db2.gz OVGIIXLTOMSUPN-WDEREUQCSA-N 1 1 328.800 0.260 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2=CCN([C@H](CC)C(N)=O)CC2)CC1 ZINC001001473205 746414116 /nfs/dbraw/zinc/41/41/16/746414116.db2.gz YHJGTAGWOWMYHD-QGZVFWFLSA-N 1 1 346.475 0.344 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc(C)n(-c4nc[nH]n4)n3)[C@@H]2C1 ZINC000978542914 746426658 /nfs/dbraw/zinc/42/66/58/746426658.db2.gz UXURUWYGEADXJK-XYYAHUGASA-N 1 1 342.407 0.178 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC000984437431 746444814 /nfs/dbraw/zinc/44/48/14/746444814.db2.gz WFOBVCMKJSFYGN-CABCVRRESA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC000984437431 746444816 /nfs/dbraw/zinc/44/48/16/746444816.db2.gz WFOBVCMKJSFYGN-CABCVRRESA-N 1 1 344.415 0.835 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC000978646617 746538925 /nfs/dbraw/zinc/53/89/25/746538925.db2.gz ZMFRCGWPUXAYNK-TUVASFSCSA-N 1 1 329.448 0.790 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1C(F)(F)F ZINC001112170433 746572843 /nfs/dbraw/zinc/57/28/43/746572843.db2.gz VDEOVMQQHMQTQY-HBNTYKKESA-N 1 1 344.337 0.405 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000978696110 746591941 /nfs/dbraw/zinc/59/19/41/746591941.db2.gz HUMBPIRRILMPOP-RJZRQDKASA-N 1 1 343.431 0.851 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001087915620 746654557 /nfs/dbraw/zinc/65/45/57/746654557.db2.gz UOFDBXIWZGRRKW-CVEARBPZSA-N 1 1 326.400 0.714 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001027666158 746670425 /nfs/dbraw/zinc/67/04/25/746670425.db2.gz BOUMGFQGJUYKBF-ZDUSSCGKSA-N 1 1 341.843 0.566 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001027666158 746670428 /nfs/dbraw/zinc/67/04/28/746670428.db2.gz BOUMGFQGJUYKBF-ZDUSSCGKSA-N 1 1 341.843 0.566 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001027667934 746695485 /nfs/dbraw/zinc/69/54/85/746695485.db2.gz YWALYQDHYIVKFV-LSDHHAIUSA-N 1 1 343.855 0.909 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001027667934 746695486 /nfs/dbraw/zinc/69/54/86/746695486.db2.gz YWALYQDHYIVKFV-LSDHHAIUSA-N 1 1 343.855 0.909 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@@H]2C1 ZINC001087972304 746771212 /nfs/dbraw/zinc/77/12/12/746771212.db2.gz WANFWLRIAIWPPI-KGLIPLIRSA-N 1 1 346.435 0.124 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC000978859336 746789872 /nfs/dbraw/zinc/78/98/72/746789872.db2.gz UCZINLVKDVOVJR-FVCCEPFGSA-N 1 1 347.868 0.067 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3ncccn3)CC2)nn1 ZINC001001918614 746806380 /nfs/dbraw/zinc/80/63/80/746806380.db2.gz KZEKJJVNXZJGOD-UHFFFAOYSA-N 1 1 341.419 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnoc2CC)C1 ZINC001001941780 746825141 /nfs/dbraw/zinc/82/51/41/746825141.db2.gz GQEONJFYORMYPY-HNNXBMFYSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnoc2CC)C1 ZINC001001941780 746825149 /nfs/dbraw/zinc/82/51/49/746825149.db2.gz GQEONJFYORMYPY-HNNXBMFYSA-N 1 1 344.415 0.523 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001001967129 746850913 /nfs/dbraw/zinc/85/09/13/746850913.db2.gz MDMZIYQAXSADPT-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001002002014 746881944 /nfs/dbraw/zinc/88/19/44/746881944.db2.gz RATRXINDZXWVSG-PMPSAXMXSA-N 1 1 335.448 0.494 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007151887 752131253 /nfs/dbraw/zinc/13/12/53/752131253.db2.gz LIPBSUUYKOLSOT-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007151887 752131257 /nfs/dbraw/zinc/13/12/57/752131257.db2.gz LIPBSUUYKOLSOT-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001059427567 746893552 /nfs/dbraw/zinc/89/35/52/746893552.db2.gz NWIAQQWZLJYSEU-UKRRQHHQSA-N 1 1 343.431 0.806 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)C3=NC(=O)N(C)C3)C2)C1=O ZINC000984740931 746895037 /nfs/dbraw/zinc/89/50/37/746895037.db2.gz HPUYFIZCRPHTER-JHJVBQTASA-N 1 1 347.419 0.011 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(NC(=O)NC)c3)[C@@H]2C1 ZINC000978944883 746927519 /nfs/dbraw/zinc/92/75/19/746927519.db2.gz ZHHKPABVWWVVCL-PHZGNYQRSA-N 1 1 326.400 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3cn(C)nn3)CC2)cn1 ZINC001002056602 746934940 /nfs/dbraw/zinc/93/49/40/746934940.db2.gz ZUOQNPHWOMQNGP-UHFFFAOYSA-N 1 1 338.415 0.833 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@@H]2C1 ZINC001087989561 746940896 /nfs/dbraw/zinc/94/08/96/746940896.db2.gz MKQHOUNTWNRZNG-ZNMIVQPWSA-N 1 1 344.463 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000982412308 752138938 /nfs/dbraw/zinc/13/89/38/752138938.db2.gz IKDRVKKJPVAGFT-HOCLYGCPSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000982412308 752138943 /nfs/dbraw/zinc/13/89/43/752138943.db2.gz IKDRVKKJPVAGFT-HOCLYGCPSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]2C1 ZINC001088012635 747046447 /nfs/dbraw/zinc/04/64/47/747046447.db2.gz UVPOGTLZEOXRHJ-HIFRSBDPSA-N 1 1 336.457 0.225 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc4nc(C)cc(C)n4n3)[C@@H]2C1 ZINC000979024058 747053105 /nfs/dbraw/zinc/05/31/05/747053105.db2.gz DCEHVLJUWIKUTO-QKDCVEJESA-N 1 1 338.415 0.672 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001002199961 747077661 /nfs/dbraw/zinc/07/76/61/747077661.db2.gz IDMKBSWEPAKKTN-JYJNAYRXSA-N 1 1 335.448 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@H](C)OC ZINC001002234271 747110138 /nfs/dbraw/zinc/11/01/38/747110138.db2.gz YELWHCQRPCRBLT-XHSDSOJGSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@H](C)OC ZINC001002234271 747110140 /nfs/dbraw/zinc/11/01/40/747110140.db2.gz YELWHCQRPCRBLT-XHSDSOJGSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccn(C)n4)[C@@H]3C2)C1=O ZINC000979064002 747112062 /nfs/dbraw/zinc/11/20/62/747112062.db2.gz WEGWSUXOINOKNI-HGTKMLMNSA-N 1 1 343.431 0.115 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3OCC(N)=O)C[C@@H]2C1 ZINC001088034221 747121146 /nfs/dbraw/zinc/12/11/46/747121146.db2.gz ZGGKNEQAPLPMIX-CABCVRRESA-N 1 1 341.411 0.578 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC000979102123 747180774 /nfs/dbraw/zinc/18/07/74/747180774.db2.gz FXUCMKGPOBWUKC-XYYAHUGASA-N 1 1 334.807 0.841 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C1 ZINC001088065001 747185282 /nfs/dbraw/zinc/18/52/82/747185282.db2.gz DSZYDAFPDDYETR-CVEARBPZSA-N 1 1 334.464 0.165 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CCN(C(=O)CCC)CC3)[C@@H]2C1 ZINC000979109617 747193724 /nfs/dbraw/zinc/19/37/24/747193724.db2.gz ZESBZGPOYAWZIJ-OSYLJGHBSA-N 1 1 331.460 0.952 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC000985075967 747323077 /nfs/dbraw/zinc/32/30/77/747323077.db2.gz OAAPYCVKWMSWBS-SAZUREKKSA-N 1 1 338.415 0.419 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC001002485169 747419138 /nfs/dbraw/zinc/41/91/38/747419138.db2.gz CYBMRTMCOSAFQM-ROUUACIJSA-N 1 1 341.455 0.947 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC001002485169 747419152 /nfs/dbraw/zinc/41/91/52/747419152.db2.gz CYBMRTMCOSAFQM-ROUUACIJSA-N 1 1 341.455 0.947 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]2C1 ZINC001088125867 747440292 /nfs/dbraw/zinc/44/02/92/747440292.db2.gz DROLHANPBVNRLL-KGLIPLIRSA-N 1 1 326.462 0.613 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]2C1 ZINC001088125867 747440293 /nfs/dbraw/zinc/44/02/93/747440293.db2.gz DROLHANPBVNRLL-KGLIPLIRSA-N 1 1 326.462 0.613 20 30 ECEDMO C[C@H]([NH2+]Cc1ncnn1C)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979266798 747468528 /nfs/dbraw/zinc/46/85/28/747468528.db2.gz IQLSRPBBMIXCPU-FZMZJTMJSA-N 1 1 343.391 0.034 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCN(C)C2=O)cn1 ZINC001029558544 747498318 /nfs/dbraw/zinc/49/83/18/747498318.db2.gz LPDZOLSREDHWQO-BBWFWOEESA-N 1 1 338.411 0.582 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088164193 747561921 /nfs/dbraw/zinc/56/19/21/747561921.db2.gz ZITAZLFUUCHMSO-ILXRZTDVSA-N 1 1 329.404 0.267 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4n[nH]nc4C3)C[C@@H]2C1 ZINC001088169189 747584013 /nfs/dbraw/zinc/58/40/13/747584013.db2.gz LPWPHNMISYBIRT-ZNMIVQPWSA-N 1 1 327.432 0.713 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH]nnc4C3)C[C@@H]2C1 ZINC001088169189 747584017 /nfs/dbraw/zinc/58/40/17/747584017.db2.gz LPWPHNMISYBIRT-ZNMIVQPWSA-N 1 1 327.432 0.713 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH]nnc4C3)C[C@@H]2C1 ZINC001088169189 747584020 /nfs/dbraw/zinc/58/40/20/747584020.db2.gz LPWPHNMISYBIRT-ZNMIVQPWSA-N 1 1 327.432 0.713 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C[C@@H]2C1 ZINC001088169189 747584026 /nfs/dbraw/zinc/58/40/26/747584026.db2.gz LPWPHNMISYBIRT-ZNMIVQPWSA-N 1 1 327.432 0.713 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C[C@@H]2C1 ZINC001088169189 747584029 /nfs/dbraw/zinc/58/40/29/747584029.db2.gz LPWPHNMISYBIRT-ZNMIVQPWSA-N 1 1 327.432 0.713 20 30 ECEDMO CCn1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979312434 747596905 /nfs/dbraw/zinc/59/69/05/747596905.db2.gz IXFLAZCAQYOZNP-YOEHRIQHSA-N 1 1 345.447 0.725 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979311096 747603795 /nfs/dbraw/zinc/60/37/95/747603795.db2.gz MILSAKZMCFAFPU-HLSYRSCKSA-N 1 1 343.431 0.709 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCOC1 ZINC001002640901 747605022 /nfs/dbraw/zinc/60/50/22/747605022.db2.gz PLHABVRTEFEOBV-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCOC1 ZINC001002640901 747605026 /nfs/dbraw/zinc/60/50/26/747605026.db2.gz PLHABVRTEFEOBV-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(=O)NC)nc3)C[C@@H]2C1 ZINC001088173473 747682706 /nfs/dbraw/zinc/68/27/06/747682706.db2.gz BHKIOZUFTRCOTH-CVEARBPZSA-N 1 1 340.427 0.858 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]Cc3cnn(C)n3)C2)C1 ZINC000979375876 747702965 /nfs/dbraw/zinc/70/29/65/747702965.db2.gz ITOJIEDPNISWKO-DZGCQCFKSA-N 1 1 333.436 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000979367404 747713415 /nfs/dbraw/zinc/71/34/15/747713415.db2.gz IFQXPAIZGFQLAC-IMJJTQAJSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000979367404 747713418 /nfs/dbraw/zinc/71/34/18/747713418.db2.gz IFQXPAIZGFQLAC-IMJJTQAJSA-N 1 1 341.415 0.199 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088222872 747768549 /nfs/dbraw/zinc/76/85/49/747768549.db2.gz ANBXMTJUOWYJOM-ILXRZTDVSA-N 1 1 333.432 0.786 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C3=COCCO3)CC2)C1 ZINC001088225752 747772556 /nfs/dbraw/zinc/77/25/56/747772556.db2.gz VZVRWHNEYROLDT-INIZCTEOSA-N 1 1 334.416 0.837 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC001088227676 747776402 /nfs/dbraw/zinc/77/64/02/747776402.db2.gz VJWQTBAIEHEXIN-HNNXBMFYSA-N 1 1 344.415 0.759 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 ZINC001088229227 747780195 /nfs/dbraw/zinc/78/01/95/747780195.db2.gz LRFBLSGOLHOTCO-SJORKVTESA-N 1 1 338.448 0.917 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001088233042 747789722 /nfs/dbraw/zinc/78/97/22/747789722.db2.gz GRJBNBKYBLTTCI-MRXNPFEDSA-N 1 1 345.447 0.782 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001088233642 747795315 /nfs/dbraw/zinc/79/53/15/747795315.db2.gz WEMVODQATMHMLY-HOTGVXAUSA-N 1 1 349.431 0.448 20 30 ECEDMO CNC(=O)C[N@@H+]1CC[C@H](OCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001088233697 747796743 /nfs/dbraw/zinc/79/67/43/747796743.db2.gz XOAPSSYIXMBHEE-KRWDZBQOSA-N 1 1 347.459 0.475 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@H](OCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001088233697 747796746 /nfs/dbraw/zinc/79/67/46/747796746.db2.gz XOAPSSYIXMBHEE-KRWDZBQOSA-N 1 1 347.459 0.475 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001088234605 747803523 /nfs/dbraw/zinc/80/35/23/747803523.db2.gz XHOZZLBMVBAYGW-KRWDZBQOSA-N 1 1 345.447 0.631 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001088235383 747815156 /nfs/dbraw/zinc/81/51/56/747815156.db2.gz QIGMSICOZDQLMK-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)n2cccc2)C1 ZINC001002830458 747848133 /nfs/dbraw/zinc/84/81/33/747848133.db2.gz SJCMKJOBEMAFCY-RDJZCZTQSA-N 1 1 342.443 0.721 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)n2cccc2)C1 ZINC001002830458 747848137 /nfs/dbraw/zinc/84/81/37/747848137.db2.gz SJCMKJOBEMAFCY-RDJZCZTQSA-N 1 1 342.443 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001002830877 747849439 /nfs/dbraw/zinc/84/94/39/747849439.db2.gz XCMZXCCFXMMSIU-VVLHAWIVSA-N 1 1 329.444 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001002830877 747849448 /nfs/dbraw/zinc/84/94/48/747849448.db2.gz XCMZXCCFXMMSIU-VVLHAWIVSA-N 1 1 329.444 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001002834525 747855034 /nfs/dbraw/zinc/85/50/34/747855034.db2.gz FRFASZLHADRDGJ-OCCSQVGLSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001002834525 747855040 /nfs/dbraw/zinc/85/50/40/747855040.db2.gz FRFASZLHADRDGJ-OCCSQVGLSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnoc2CC)C1 ZINC001002834630 747855178 /nfs/dbraw/zinc/85/51/78/747855178.db2.gz HEBHKRSLMWQTPI-HNNXBMFYSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnoc2CC)C1 ZINC001002834630 747855186 /nfs/dbraw/zinc/85/51/86/747855186.db2.gz HEBHKRSLMWQTPI-HNNXBMFYSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnc(C)n2C)C1 ZINC001002836317 747858498 /nfs/dbraw/zinc/85/84/98/747858498.db2.gz VAXUDDOOVOFEMR-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnc(C)n2C)C1 ZINC001002836317 747858502 /nfs/dbraw/zinc/85/85/02/747858502.db2.gz VAXUDDOOVOFEMR-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000988500956 752219388 /nfs/dbraw/zinc/21/93/88/752219388.db2.gz LSQANDKEVMALGX-AAEUAGOBSA-N 1 1 342.407 0.676 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)n1C ZINC000988504874 752222029 /nfs/dbraw/zinc/22/20/29/752222029.db2.gz ZUVVEUAPQMJLGC-AAEUAGOBSA-N 1 1 341.419 0.970 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)C3CCOCC3)C2)C1=O ZINC001029623152 747914276 /nfs/dbraw/zinc/91/42/76/747914276.db2.gz JPNGANFQHSXINK-DOTOQJQBSA-N 1 1 349.475 0.980 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001088239593 747928405 /nfs/dbraw/zinc/92/84/05/747928405.db2.gz ARTWGQCCJUMOSR-KRWDZBQOSA-N 1 1 345.447 0.631 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001088239932 747934674 /nfs/dbraw/zinc/93/46/74/747934674.db2.gz LAGMIWFTWXXMSZ-MRXNPFEDSA-N 1 1 330.432 0.915 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)C1=O ZINC001029658707 747991820 /nfs/dbraw/zinc/99/18/20/747991820.db2.gz XMTVRLZALBIISH-DZGCQCFKSA-N 1 1 331.420 0.591 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001029658707 747991826 /nfs/dbraw/zinc/99/18/26/747991826.db2.gz XMTVRLZALBIISH-DZGCQCFKSA-N 1 1 331.420 0.591 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001029658707 747991831 /nfs/dbraw/zinc/99/18/31/747991831.db2.gz XMTVRLZALBIISH-DZGCQCFKSA-N 1 1 331.420 0.591 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000985435905 748009399 /nfs/dbraw/zinc/00/93/99/748009399.db2.gz TTWBWDIRSTWNGY-OAGGEKHMSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985435907 748009637 /nfs/dbraw/zinc/00/96/37/748009637.db2.gz TTWBWDIRSTWNGY-PMPSAXMXSA-N 1 1 335.448 0.779 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001029691127 748088029 /nfs/dbraw/zinc/08/80/29/748088029.db2.gz ATIYMCGOZLVESO-WFASDCNBSA-N 1 1 329.404 0.511 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000979664364 748183667 /nfs/dbraw/zinc/18/36/67/748183667.db2.gz IWVHXNMRQRFJDV-YDHLFZDLSA-N 1 1 343.431 0.853 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC000979677180 748229715 /nfs/dbraw/zinc/22/97/15/748229715.db2.gz VYKZCTHCZPATJW-MJBXVCDLSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cncn2C)C1 ZINC001029757442 748267494 /nfs/dbraw/zinc/26/74/94/748267494.db2.gz BLWZZRFOUNETNU-WMZOPIPTSA-N 1 1 343.475 0.798 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000979773035 748398839 /nfs/dbraw/zinc/39/88/39/748398839.db2.gz GBTUVYSXGRRZNF-YRGRVCCFSA-N 1 1 329.404 0.463 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027836736 748406401 /nfs/dbraw/zinc/40/64/01/748406401.db2.gz WYMDXPWVPFSXPZ-CABCVRRESA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027836736 748406404 /nfs/dbraw/zinc/40/64/04/748406404.db2.gz WYMDXPWVPFSXPZ-CABCVRRESA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2cnc3sccn3c2=O)CC1 ZINC000985528368 748413733 /nfs/dbraw/zinc/41/37/33/748413733.db2.gz OXTDVDJEHBYHED-UHFFFAOYSA-N 1 1 330.413 0.926 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000979858646 748538202 /nfs/dbraw/zinc/53/82/02/748538202.db2.gz WFPQNGMYLIBDAN-QHSBEEBCSA-N 1 1 343.431 0.851 20 30 ECEDMO N#Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)ccc1F ZINC001003533353 748652804 /nfs/dbraw/zinc/65/28/04/748652804.db2.gz UOKPVPRUEZWGIE-OAHLLOKOSA-N 1 1 345.378 0.459 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001029841031 748694530 /nfs/dbraw/zinc/69/45/30/748694530.db2.gz IHQGQWIYJQBORP-BBWFWOEESA-N 1 1 340.427 0.960 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2nccn2CC)C1=O ZINC001027855887 748745154 /nfs/dbraw/zinc/74/51/54/748745154.db2.gz ZGFJOBWQVRKPDT-GJZGRUSLSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nccn2CC)C1=O ZINC001027855887 748745160 /nfs/dbraw/zinc/74/51/60/748745160.db2.gz ZGFJOBWQVRKPDT-GJZGRUSLSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CS(=O)(=O)C3)C[C@H]2C1 ZINC000979979052 748756394 /nfs/dbraw/zinc/75/63/94/748756394.db2.gz JYOHOKFDJRRULY-HRCADAONSA-N 1 1 338.473 0.661 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3n[nH]cc3F)CC2)C1=O ZINC000985628101 748759355 /nfs/dbraw/zinc/75/93/55/748759355.db2.gz GWSNHJNXNKDAON-CQSZACIVSA-N 1 1 349.410 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000979967957 748760671 /nfs/dbraw/zinc/76/06/71/748760671.db2.gz PJBPFQNRCHFNAE-BPUTZDHNSA-N 1 1 343.431 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000979967957 748760674 /nfs/dbraw/zinc/76/06/74/748760674.db2.gz PJBPFQNRCHFNAE-BPUTZDHNSA-N 1 1 343.431 0.061 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2nocc2C)C1 ZINC000979968195 748761036 /nfs/dbraw/zinc/76/10/36/748761036.db2.gz QZHPBHMESGMQHR-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2nocc2C)C1 ZINC000979968195 748761042 /nfs/dbraw/zinc/76/10/42/748761042.db2.gz QZHPBHMESGMQHR-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027861124 748797370 /nfs/dbraw/zinc/79/73/70/748797370.db2.gz RQKFRFXCWGMRTK-LSDHHAIUSA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027861124 748797374 /nfs/dbraw/zinc/79/73/74/748797374.db2.gz RQKFRFXCWGMRTK-LSDHHAIUSA-N 1 1 328.372 0.747 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3ncccn3)CC2)C1=O ZINC000985709227 748911253 /nfs/dbraw/zinc/91/12/53/748911253.db2.gz IIVNHKZSKQYCOV-OAHLLOKOSA-N 1 1 343.431 0.800 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]2C1 ZINC000980085308 748943369 /nfs/dbraw/zinc/94/33/69/748943369.db2.gz MMFJUXLELJTLJT-HRCADAONSA-N 1 1 347.463 0.765 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027879301 748977285 /nfs/dbraw/zinc/97/72/85/748977285.db2.gz PWVCHIJFJVONOY-KGLIPLIRSA-N 1 1 331.420 0.919 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001003973851 749096421 /nfs/dbraw/zinc/09/64/21/749096421.db2.gz GQXZFOXEMWEJLA-DOTOQJQBSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001003973851 749096430 /nfs/dbraw/zinc/09/64/30/749096430.db2.gz GQXZFOXEMWEJLA-DOTOQJQBSA-N 1 1 348.491 0.696 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 ZINC000980194421 749129052 /nfs/dbraw/zinc/12/90/52/749129052.db2.gz QRXBWMAVBXPCMW-RRFJBIMHSA-N 1 1 348.447 0.721 20 30 ECEDMO C#CCNCc1cn([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001098734682 749169157 /nfs/dbraw/zinc/16/91/57/749169157.db2.gz WGNMJQRSIDADNB-GOEBONIOSA-N 1 1 330.436 0.116 20 30 ECEDMO C=CCN1CCN(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000985826394 749185351 /nfs/dbraw/zinc/18/53/51/749185351.db2.gz XYFLJMZGHNZOLE-INIZCTEOSA-N 1 1 349.479 0.148 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC1 ZINC000985830114 749194978 /nfs/dbraw/zinc/19/49/78/749194978.db2.gz XVVAPYDJKJSQTI-UHFFFAOYSA-N 1 1 344.459 0.858 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]2C1 ZINC000980203067 749195823 /nfs/dbraw/zinc/19/58/23/749195823.db2.gz DWQRPAFOQFRQCK-MELADBBJSA-N 1 1 344.415 0.589 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC001004094520 749206590 /nfs/dbraw/zinc/20/65/90/749206590.db2.gz NXBUMZUOHONIEB-UHFFFAOYSA-N 1 1 342.827 0.650 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cncc(C(N)=O)c3)C[C@@H]2C1 ZINC000980249102 749254282 /nfs/dbraw/zinc/25/42/82/749254282.db2.gz XVEVOTPDTTUJCY-MAZHCROVSA-N 1 1 326.400 0.644 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cncc(C(N)=O)c3)C[C@@H]2C1 ZINC000980249098 749254633 /nfs/dbraw/zinc/25/46/33/749254633.db2.gz XVEVOTPDTTUJCY-APHBMKBZSA-N 1 1 326.400 0.644 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980251456 749256939 /nfs/dbraw/zinc/25/69/39/749256939.db2.gz IVBPWCZXYXWTIG-BFHYXJOUSA-N 1 1 346.431 0.892 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001060292870 761933948 /nfs/dbraw/zinc/93/39/48/761933948.db2.gz YSYTWFSTOZXZHP-STQMWFEESA-N 1 1 347.419 0.864 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC000980296693 749335827 /nfs/dbraw/zinc/33/58/27/749335827.db2.gz SYSKKEJWZDAEAF-LBPRGKRZSA-N 1 1 327.816 0.175 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC000980296693 749335830 /nfs/dbraw/zinc/33/58/30/749335830.db2.gz SYSKKEJWZDAEAF-LBPRGKRZSA-N 1 1 327.816 0.175 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC000980313890 749353875 /nfs/dbraw/zinc/35/38/75/749353875.db2.gz VAHIANVPUGEZAI-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000980346434 749402087 /nfs/dbraw/zinc/40/20/87/749402087.db2.gz NLAAMCLPLBIXSN-GHMZBOCLSA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000980346434 749402092 /nfs/dbraw/zinc/40/20/92/749402092.db2.gz NLAAMCLPLBIXSN-GHMZBOCLSA-N 1 1 328.800 0.260 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC000980386670 749485588 /nfs/dbraw/zinc/48/55/88/749485588.db2.gz MFTDWZJWTCQWTB-HIFRSBDPSA-N 1 1 331.420 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001004454954 749519233 /nfs/dbraw/zinc/51/92/33/749519233.db2.gz BDKQDSIJGWBPRN-INIZCTEOSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001004534804 749602762 /nfs/dbraw/zinc/60/27/62/749602762.db2.gz YAZXWFJONORNBR-MIGQKNRLSA-N 1 1 335.448 0.492 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnco1)C2 ZINC001004546890 749608952 /nfs/dbraw/zinc/60/89/52/749608952.db2.gz WAEIWCTUKFYBEM-KBXIAJHMSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnco1)C2 ZINC001004546890 749608954 /nfs/dbraw/zinc/60/89/54/749608954.db2.gz WAEIWCTUKFYBEM-KBXIAJHMSA-N 1 1 342.399 0.634 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001004577027 749650516 /nfs/dbraw/zinc/65/05/16/749650516.db2.gz FYIMGIFTVPNKES-GJZGRUSLSA-N 1 1 348.447 0.864 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC(N)=O)CC2)cn1 ZINC001004605131 749676474 /nfs/dbraw/zinc/67/64/74/749676474.db2.gz MFCRRMRMXCTSQO-KRWDZBQOSA-N 1 1 340.427 0.865 20 30 ECEDMO C[C@H]1C[C@H](C[NH2+]Cc2nc(N(C)C)no2)CN1C(=O)C#CC1CC1 ZINC000980575536 749803056 /nfs/dbraw/zinc/80/30/56/749803056.db2.gz PWHOFBRGTIVTNE-GXTWGEPZSA-N 1 1 331.420 0.876 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001004807666 749892231 /nfs/dbraw/zinc/89/22/31/749892231.db2.gz ICOAURUBLPHVMT-BXUZGUMPSA-N 1 1 342.407 0.583 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)n1 ZINC001059726303 750042407 /nfs/dbraw/zinc/04/24/07/750042407.db2.gz VIUYJUCKCDBQSA-KBXIAJHMSA-N 1 1 340.431 0.704 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001105430638 750044934 /nfs/dbraw/zinc/04/49/34/750044934.db2.gz QZTMQHOSDRPHFO-AWEZNQCLSA-N 1 1 330.436 0.893 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H](C)n3cccn3)CC2)C1=O ZINC000980747849 750081725 /nfs/dbraw/zinc/08/17/25/750081725.db2.gz AHOFRLGLUMLVAA-HOTGVXAUSA-N 1 1 345.447 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H](C)n3cccn3)CC2)C1=O ZINC000980747849 750081731 /nfs/dbraw/zinc/08/17/31/750081731.db2.gz AHOFRLGLUMLVAA-HOTGVXAUSA-N 1 1 345.447 0.765 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027973194 750102110 /nfs/dbraw/zinc/10/21/10/750102110.db2.gz LXFZXLBYXNSDQW-GFCCVEGCSA-N 1 1 327.406 0.697 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1-n1cnnn1 ZINC001027991000 750234130 /nfs/dbraw/zinc/23/41/30/750234130.db2.gz UXESZUDFFNOZIT-GFCCVEGCSA-N 1 1 330.417 0.941 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980872757 750278767 /nfs/dbraw/zinc/27/87/67/750278767.db2.gz TZEZBZXSYSMTIQ-UHFFFAOYSA-N 1 1 330.388 0.477 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC000980872757 750278770 /nfs/dbraw/zinc/27/87/70/750278770.db2.gz TZEZBZXSYSMTIQ-UHFFFAOYSA-N 1 1 330.388 0.477 20 30 ECEDMO CC(C)COCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 ZINC001098634231 750288499 /nfs/dbraw/zinc/28/84/99/750288499.db2.gz QDJIIQUBRKVJPF-GOEBONIOSA-N 1 1 348.451 0.973 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000980991756 750425807 /nfs/dbraw/zinc/42/58/07/750425807.db2.gz RMJFUXNOYGYNAI-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000980991756 750425813 /nfs/dbraw/zinc/42/58/13/750425813.db2.gz RMJFUXNOYGYNAI-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2c[nH]nc2C)C1=O ZINC001028061863 750443518 /nfs/dbraw/zinc/44/35/18/750443518.db2.gz GTKMBEAUNNHOBD-DZGCQCFKSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c[nH]nc2C)C1=O ZINC001028061863 750443519 /nfs/dbraw/zinc/44/35/19/750443519.db2.gz GTKMBEAUNNHOBD-DZGCQCFKSA-N 1 1 331.420 0.699 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3nnn(C)n3)C2)cn1 ZINC000981467123 750710608 /nfs/dbraw/zinc/71/06/08/750710608.db2.gz GNUKNYISBONPQZ-HUUCEWRRSA-N 1 1 339.403 0.417 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001005849232 750725069 /nfs/dbraw/zinc/72/50/69/750725069.db2.gz CZVWNWCTNFKEIQ-ZFWWWQNUSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001005849232 750725073 /nfs/dbraw/zinc/72/50/73/750725073.db2.gz CZVWNWCTNFKEIQ-ZFWWWQNUSA-N 1 1 335.448 0.636 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001005862895 750742368 /nfs/dbraw/zinc/74/23/68/750742368.db2.gz OSXJEGXPGOPXOQ-QWHCGFSZSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001005866423 750745272 /nfs/dbraw/zinc/74/52/72/750745272.db2.gz MTYSVWGLLVMUAR-CHWSQXEVSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001005928386 750812264 /nfs/dbraw/zinc/81/22/64/750812264.db2.gz ZAYKFXXYTLKZBC-CHWSQXEVSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCC[N@@H+]1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC000981583917 750838024 /nfs/dbraw/zinc/83/80/24/750838024.db2.gz LZPIXHKYGIQNIM-UHFFFAOYSA-N 1 1 334.420 0.614 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000981683351 750967831 /nfs/dbraw/zinc/96/78/31/750967831.db2.gz UVSQZFMEWHEFDB-UHFFFAOYSA-N 1 1 325.376 0.229 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000981693380 750978612 /nfs/dbraw/zinc/97/86/12/750978612.db2.gz OJFUSYHVVRMQLA-CQSZACIVSA-N 1 1 329.391 0.510 20 30 ECEDMO C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001006076526 750993147 /nfs/dbraw/zinc/99/31/47/750993147.db2.gz ZISXMSCOSFGWAH-AWEZNQCLSA-N 1 1 326.462 0.757 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001028118096 751005307 /nfs/dbraw/zinc/00/53/07/751005307.db2.gz WPIUDCAFCXGZQQ-SJORKVTESA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001028118093 751005996 /nfs/dbraw/zinc/00/59/96/751005996.db2.gz WPIUDCAFCXGZQQ-DLBZAZTESA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001006103976 751018773 /nfs/dbraw/zinc/01/87/73/751018773.db2.gz IDMSAJFDLJBUKG-IUODEOHRSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000981754195 751058950 /nfs/dbraw/zinc/05/89/50/751058950.db2.gz XIQPJERDMNNVNY-HNNXBMFYSA-N 1 1 337.464 0.716 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC000981801217 751116824 /nfs/dbraw/zinc/11/68/24/751116824.db2.gz QLZXPAXCYIJELN-INIZCTEOSA-N 1 1 349.475 0.982 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000981797449 751121114 /nfs/dbraw/zinc/12/11/14/751121114.db2.gz FKRFJRXJTHTKAN-CQSZACIVSA-N 1 1 331.416 0.472 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)c1 ZINC001028127589 751143163 /nfs/dbraw/zinc/14/31/63/751143163.db2.gz WDXXSINMVCYJJD-LSDHHAIUSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)c1 ZINC001028127589 751143164 /nfs/dbraw/zinc/14/31/64/751143164.db2.gz WDXXSINMVCYJJD-LSDHHAIUSA-N 1 1 340.383 0.062 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC001098514406 751185791 /nfs/dbraw/zinc/18/57/91/751185791.db2.gz SQQZRHQUQXCVSJ-HOTGVXAUSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2n[nH]cc2F)C1 ZINC001006314386 751233809 /nfs/dbraw/zinc/23/38/09/751233809.db2.gz LATIUBRVGKVWKF-FZMZJTMJSA-N 1 1 347.394 0.223 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2n[nH]cc2F)C1 ZINC001006314386 751233815 /nfs/dbraw/zinc/23/38/15/751233815.db2.gz LATIUBRVGKVWKF-FZMZJTMJSA-N 1 1 347.394 0.223 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000987828340 751243828 /nfs/dbraw/zinc/24/38/28/751243828.db2.gz ZSTZGGYCGKXWEI-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC000981908786 751262597 /nfs/dbraw/zinc/26/25/97/751262597.db2.gz RVXNCKQQGKEKJZ-AWEZNQCLSA-N 1 1 329.404 0.476 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3c(C)c(C)nn(C)c3=O)C2)C1 ZINC000981927860 751283832 /nfs/dbraw/zinc/28/38/32/751283832.db2.gz QLQICYXACGYZSO-UHFFFAOYSA-N 1 1 342.443 0.958 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001087435860 751311736 /nfs/dbraw/zinc/31/17/36/751311736.db2.gz LFXLCOOBCFUTAO-IXDOHACOSA-N 1 1 340.427 0.665 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001087435860 751311738 /nfs/dbraw/zinc/31/17/38/751311738.db2.gz LFXLCOOBCFUTAO-IXDOHACOSA-N 1 1 340.427 0.665 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007338792 752305384 /nfs/dbraw/zinc/30/53/84/752305384.db2.gz SZESXQCTPGKNQY-UONOGXRCSA-N 1 1 329.404 0.367 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccc(=O)[nH]c2)C1=O ZINC001028299887 752320950 /nfs/dbraw/zinc/32/09/50/752320950.db2.gz LZAZFZGGBVJDAQ-GJZGRUSLSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001028313292 752355812 /nfs/dbraw/zinc/35/58/12/752355812.db2.gz GBUMDYVNWUSIHG-ZFWWWQNUSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001028313292 752355822 /nfs/dbraw/zinc/35/58/22/752355822.db2.gz GBUMDYVNWUSIHG-ZFWWWQNUSA-N 1 1 331.420 0.401 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000988615016 752383684 /nfs/dbraw/zinc/38/36/84/752383684.db2.gz VTUBJTBTOWMBBQ-SMDDNHRTSA-N 1 1 342.407 0.847 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001007502059 752457447 /nfs/dbraw/zinc/45/74/47/752457447.db2.gz GBBCZXCEDGLQKS-HNNXBMFYSA-N 1 1 345.447 0.894 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988650322 752469665 /nfs/dbraw/zinc/46/96/65/752469665.db2.gz DUDCERQIGOFCRA-YPMHNXCESA-N 1 1 345.382 0.840 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000982491471 752490350 /nfs/dbraw/zinc/49/03/50/752490350.db2.gz NFLDVECBTRZDIR-HIFRSBDPSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000982491471 752490354 /nfs/dbraw/zinc/49/03/54/752490354.db2.gz NFLDVECBTRZDIR-HIFRSBDPSA-N 1 1 329.404 0.086 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)cc1 ZINC001028421755 752596042 /nfs/dbraw/zinc/59/60/42/752596042.db2.gz VIVMELDAYQKMSJ-SJORKVTESA-N 1 1 329.400 0.912 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001007612029 752635895 /nfs/dbraw/zinc/63/58/95/752635895.db2.gz RHRSZHJCNTWAQJ-LPHOPBHVSA-N 1 1 345.443 0.324 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001007657537 752726029 /nfs/dbraw/zinc/72/60/29/752726029.db2.gz MUPJYQQNKMHGRE-HNAYVOBHSA-N 1 1 349.475 0.980 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c1 ZINC001028467532 752761785 /nfs/dbraw/zinc/76/17/85/752761785.db2.gz DMXNXOVCQIGZLV-ZIAGYGMSSA-N 1 1 343.431 0.854 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccn(C)c3)C2)C1=O ZINC001028481396 752810524 /nfs/dbraw/zinc/81/05/24/752810524.db2.gz WXUFSCNWSNOQEY-HOCLYGCPSA-N 1 1 330.432 0.864 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1OC ZINC001212178309 752822783 /nfs/dbraw/zinc/82/27/83/752822783.db2.gz QUDGBZXNUXNMEB-INMHGKMJSA-N 1 1 337.420 0.934 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1OC ZINC001212178309 752822794 /nfs/dbraw/zinc/82/27/94/752822794.db2.gz QUDGBZXNUXNMEB-INMHGKMJSA-N 1 1 337.420 0.934 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nc2C)[C@@H](O)C1 ZINC001083460404 752885845 /nfs/dbraw/zinc/88/58/45/752885845.db2.gz GAKXUFCEZMCMOC-UAGQMJEPSA-N 1 1 348.447 0.894 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001059930239 752890637 /nfs/dbraw/zinc/89/06/37/752890637.db2.gz AHBQPZABKODPJC-KBPBESRZSA-N 1 1 328.420 0.633 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)C3=CCOCC3)C2)C1=O ZINC001028497585 752891472 /nfs/dbraw/zinc/89/14/72/752891472.db2.gz AIUOPNSDTPNWKF-GDBMZVCRSA-N 1 1 333.432 0.558 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C#CC2CC2)C1 ZINC000988811927 752914497 /nfs/dbraw/zinc/91/44/97/752914497.db2.gz LOLMQRKVJZYZPE-UKRRQHHQSA-N 1 1 330.436 0.966 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(=O)N(C)C)C[C@]2(C)C1 ZINC000982573582 752944505 /nfs/dbraw/zinc/94/45/05/752944505.db2.gz ARKLBHSEEDEWBK-OHQAAIJDSA-N 1 1 349.475 0.836 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028505179 752950770 /nfs/dbraw/zinc/95/07/70/752950770.db2.gz DPQPJSDLLOUXLE-QGZVFWFLSA-N 1 1 340.427 0.975 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001059934924 752957325 /nfs/dbraw/zinc/95/73/25/752957325.db2.gz XMQHUHZOPDDEOP-GJZGRUSLSA-N 1 1 336.436 0.223 20 30 ECEDMO C#CCC[N@H+]1CCC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001007820603 752959828 /nfs/dbraw/zinc/95/98/28/752959828.db2.gz CJNABKYGCQMRFY-OAHLLOKOSA-N 1 1 332.448 0.979 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001007820603 752959831 /nfs/dbraw/zinc/95/98/31/752959831.db2.gz CJNABKYGCQMRFY-OAHLLOKOSA-N 1 1 332.448 0.979 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001007847978 752987283 /nfs/dbraw/zinc/98/72/83/752987283.db2.gz YQNMLCKCXCBBOO-CQSZACIVSA-N 1 1 334.420 0.660 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001126377500 753006650 /nfs/dbraw/zinc/00/66/50/753006650.db2.gz BKEFVEZBGNIODC-CQSZACIVSA-N 1 1 330.406 0.216 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](OC)C2CC2)C1 ZINC000988910813 753021998 /nfs/dbraw/zinc/02/19/98/753021998.db2.gz FQDWICBVHNMCBD-ULQDDVLXSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](OC)C2CC2)C1 ZINC000988910813 753022006 /nfs/dbraw/zinc/02/20/06/753022006.db2.gz FQDWICBVHNMCBD-ULQDDVLXSA-N 1 1 347.459 0.616 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000982605451 753028611 /nfs/dbraw/zinc/02/86/11/753028611.db2.gz AKSKHTLQYDSVKQ-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000982606473 753033126 /nfs/dbraw/zinc/03/31/26/753033126.db2.gz GOWFGXDIHHXVDC-OCCSQVGLSA-N 1 1 329.404 0.416 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)cc1F ZINC001028519947 753047236 /nfs/dbraw/zinc/04/72/36/753047236.db2.gz WHUBMNJEMVNGEJ-DOMZBBRYSA-N 1 1 346.362 0.744 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@]3(C)C[N@H+](C[C@H](C)O)C[C@]3(C)C2)nn1 ZINC000982629686 753093628 /nfs/dbraw/zinc/09/36/28/753093628.db2.gz DZTHZMNBEMREJI-RRQGHBQHSA-N 1 1 333.436 0.629 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cnc(C)o3)[C@H]2C)C1=O ZINC001088619909 753110035 /nfs/dbraw/zinc/11/00/35/753110035.db2.gz JLYGOHFYFQFRCP-KCXAZCMYSA-N 1 1 346.431 0.891 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnc(C)o3)[C@H]2C)C1=O ZINC001088619909 753110039 /nfs/dbraw/zinc/11/00/39/753110039.db2.gz JLYGOHFYFQFRCP-KCXAZCMYSA-N 1 1 346.431 0.891 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCCN(CCOC)c1nccnc1C#N ZINC001126380121 753111525 /nfs/dbraw/zinc/11/15/25/753111525.db2.gz KESVAMQBTWQSTH-UHFFFAOYSA-N 1 1 348.451 0.649 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001028551126 753114795 /nfs/dbraw/zinc/11/47/95/753114795.db2.gz HSRYVKYWPDUYIR-XHSDSOJGSA-N 1 1 333.436 0.697 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001007951480 753119677 /nfs/dbraw/zinc/11/96/77/753119677.db2.gz JFUMCRHKMIGWRP-OAHLLOKOSA-N 1 1 343.493 0.959 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3CS(=O)(=O)C3)C2)cc1 ZINC001028563462 753149225 /nfs/dbraw/zinc/14/92/25/753149225.db2.gz JKKKWRXWJVVGBA-OAHLLOKOSA-N 1 1 347.440 0.541 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3CS(=O)(=O)C3)C2)cc1 ZINC001028563462 753149226 /nfs/dbraw/zinc/14/92/26/753149226.db2.gz JKKKWRXWJVVGBA-OAHLLOKOSA-N 1 1 347.440 0.541 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001007994269 753184127 /nfs/dbraw/zinc/18/41/27/753184127.db2.gz HURFJPPJDOACMA-CABCVRRESA-N 1 1 333.432 0.084 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001007994269 753184130 /nfs/dbraw/zinc/18/41/30/753184130.db2.gz HURFJPPJDOACMA-CABCVRRESA-N 1 1 333.432 0.084 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@]2(C)C1 ZINC000982645206 753201524 /nfs/dbraw/zinc/20/15/24/753201524.db2.gz DEEMHJQLFAHCEE-HDICACEKSA-N 1 1 331.416 0.233 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982650840 753218876 /nfs/dbraw/zinc/21/88/76/753218876.db2.gz BLVYJDURSVPIPX-CALCHBBNSA-N 1 1 334.420 0.285 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000982665959 753258695 /nfs/dbraw/zinc/25/86/95/753258695.db2.gz TXCSXPAKQIUQBE-OLZOCXBDSA-N 1 1 329.404 0.416 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cnccc3=O)C[C@@]2(C)C1 ZINC000982683124 753293318 /nfs/dbraw/zinc/29/33/18/753293318.db2.gz FOHUHVLHARAKOG-HDICACEKSA-N 1 1 330.432 0.990 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001051493810 762202506 /nfs/dbraw/zinc/20/25/06/762202506.db2.gz AHTKINJHEMCYAK-IUODEOHRSA-N 1 1 332.408 0.165 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001028578376 753312075 /nfs/dbraw/zinc/31/20/75/753312075.db2.gz NLUZOINQUIYPMO-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001008122154 753339596 /nfs/dbraw/zinc/33/95/96/753339596.db2.gz SLMKMCSDDNEMNY-CQSZACIVSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000982700036 753353343 /nfs/dbraw/zinc/35/33/43/753353343.db2.gz TYWHLZKFABQUJA-CABCVRRESA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000982700036 753353345 /nfs/dbraw/zinc/35/33/45/753353345.db2.gz TYWHLZKFABQUJA-CABCVRRESA-N 1 1 335.448 0.210 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001028581627 753380495 /nfs/dbraw/zinc/38/04/95/753380495.db2.gz KYZDUCDRVFKCFX-IRXDYDNUSA-N 1 1 340.427 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC)CC1(C)C ZINC001008274209 753536207 /nfs/dbraw/zinc/53/62/07/753536207.db2.gz AVQACUUXWRPRHY-UONOGXRCSA-N 1 1 337.489 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC)CC1(C)C ZINC001008274209 753536211 /nfs/dbraw/zinc/53/62/11/753536211.db2.gz AVQACUUXWRPRHY-UONOGXRCSA-N 1 1 337.489 0.800 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)CNC3=O)C[C@@]2(C)C1 ZINC000982784051 753552509 /nfs/dbraw/zinc/55/25/09/753552509.db2.gz HDGYRCKEVQGQCU-CALCHBBNSA-N 1 1 334.420 0.285 20 30 ECEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@]2(C)C1 ZINC000982784937 753555422 /nfs/dbraw/zinc/55/54/22/753555422.db2.gz SFMVXGSYJQIIMU-HDICACEKSA-N 1 1 348.447 0.627 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001059042852 753572900 /nfs/dbraw/zinc/57/29/00/753572900.db2.gz HVAWFPWGWSHHNA-GJZGRUSLSA-N 1 1 342.447 0.905 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC000989339743 753653602 /nfs/dbraw/zinc/65/36/02/753653602.db2.gz HBHOIWJDKQSXMQ-QZWWFDLISA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC000989339743 753653605 /nfs/dbraw/zinc/65/36/05/753653605.db2.gz HBHOIWJDKQSXMQ-QZWWFDLISA-N 1 1 347.459 0.616 20 30 ECEDMO C=C(C)CCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372442 753677226 /nfs/dbraw/zinc/67/72/26/753677226.db2.gz HFPDFQDDBGLYNK-AWEZNQCLSA-N 1 1 332.452 0.669 20 30 ECEDMO C=C(C)CCNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372442 753677229 /nfs/dbraw/zinc/67/72/29/753677229.db2.gz HFPDFQDDBGLYNK-AWEZNQCLSA-N 1 1 332.452 0.669 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083368435 753703494 /nfs/dbraw/zinc/70/34/94/753703494.db2.gz NCAJQBYOVVZBNO-KURKYZTESA-N 1 1 345.418 0.433 20 30 ECEDMO C=CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685179 753763262 /nfs/dbraw/zinc/76/32/62/753763262.db2.gz ASTPHTANERSXCT-HOTGVXAUSA-N 1 1 332.452 0.811 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)c1 ZINC001083392407 753794007 /nfs/dbraw/zinc/79/40/07/753794007.db2.gz GMIZHBSTUBZFGH-AGIUHOORSA-N 1 1 340.330 0.085 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)c1 ZINC001083392407 753794012 /nfs/dbraw/zinc/79/40/12/753794012.db2.gz GMIZHBSTUBZFGH-AGIUHOORSA-N 1 1 340.330 0.085 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000982819434 753850312 /nfs/dbraw/zinc/85/03/12/753850312.db2.gz GEMCPGPRDHLPLX-VNHYZAJKSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnc(CC)o2)C1 ZINC001028601627 753881958 /nfs/dbraw/zinc/88/19/58/753881958.db2.gz RTXDADWDGXLMRK-CABCVRRESA-N 1 1 345.447 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnc(CC)o2)C1 ZINC001028601627 753881966 /nfs/dbraw/zinc/88/19/66/753881966.db2.gz RTXDADWDGXLMRK-CABCVRRESA-N 1 1 345.447 0.668 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@]3(C)C[N@@H+](C[C@H](C)O)C[C@]3(C)C2)CC1 ZINC000982831361 753886031 /nfs/dbraw/zinc/88/60/31/753886031.db2.gz KGMORPASNGMQHJ-FFZOFVMBSA-N 1 1 347.503 0.883 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@]3(C)C[N@H+](C[C@H](C)O)C[C@]3(C)C2)CC1 ZINC000982831361 753886037 /nfs/dbraw/zinc/88/60/37/753886037.db2.gz KGMORPASNGMQHJ-FFZOFVMBSA-N 1 1 347.503 0.883 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2nn(C)c3ccccc23)[C@@H](O)C1 ZINC001083463668 753886312 /nfs/dbraw/zinc/88/63/12/753886312.db2.gz UWHGPFFXNJEGEJ-WBVHZDCISA-N 1 1 328.416 0.853 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001028624672 753966058 /nfs/dbraw/zinc/96/60/58/753966058.db2.gz FGZQMGOGWCMSSH-LSDHHAIUSA-N 1 1 330.432 0.919 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943153 753984548 /nfs/dbraw/zinc/98/45/48/753984548.db2.gz DHQNGCPSMQAKLN-LXTVHRRPSA-N 1 1 327.856 0.991 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943153 753984551 /nfs/dbraw/zinc/98/45/51/753984551.db2.gz DHQNGCPSMQAKLN-LXTVHRRPSA-N 1 1 327.856 0.991 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001028630300 753995074 /nfs/dbraw/zinc/99/50/74/753995074.db2.gz ISAYSHDBQJVEFN-ZDUSSCGKSA-N 1 1 326.462 0.825 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982854648 754003819 /nfs/dbraw/zinc/00/38/19/754003819.db2.gz NPBDGPHBGYCUDS-XWIAVFTESA-N 1 1 333.432 0.786 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C(N)=O)nc3)C[C@@]2(C)C1 ZINC000982855534 754004539 /nfs/dbraw/zinc/00/45/39/754004539.db2.gz SNUHOOYHIIHLMZ-KDURUIRLSA-N 1 1 340.427 0.988 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001008755673 754079732 /nfs/dbraw/zinc/07/97/32/754079732.db2.gz TVTURNLOPOJXKQ-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001008755673 754079735 /nfs/dbraw/zinc/07/97/35/754079735.db2.gz TVTURNLOPOJXKQ-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC000989564499 754118046 /nfs/dbraw/zinc/11/80/46/754118046.db2.gz BFNKAHGKVAFTDU-OAHLLOKOSA-N 1 1 327.428 0.879 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC000989564499 754118047 /nfs/dbraw/zinc/11/80/47/754118047.db2.gz BFNKAHGKVAFTDU-OAHLLOKOSA-N 1 1 327.428 0.879 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001028640951 754146632 /nfs/dbraw/zinc/14/66/32/754146632.db2.gz YKONTAABUGHMLZ-CYBMUJFWSA-N 1 1 327.388 0.813 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnco2)C1 ZINC000982920662 754199208 /nfs/dbraw/zinc/19/92/08/754199208.db2.gz FMHMUHOYUWMSGT-KBPBESRZSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnco2)C1 ZINC000982920662 754199210 /nfs/dbraw/zinc/19/92/10/754199210.db2.gz FMHMUHOYUWMSGT-KBPBESRZSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(C)on2)C1 ZINC000982922589 754204387 /nfs/dbraw/zinc/20/43/87/754204387.db2.gz MAGYYPMMSBBLJL-ZBFHGGJFSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(C)on2)C1 ZINC000982922589 754204393 /nfs/dbraw/zinc/20/43/93/754204393.db2.gz MAGYYPMMSBBLJL-ZBFHGGJFSA-N 1 1 344.415 0.659 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3CC)[C@H]2C)C1=O ZINC001088694146 754344401 /nfs/dbraw/zinc/34/44/01/754344401.db2.gz WMBKQHPNSDQGBO-KCXAZCMYSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3CC)[C@H]2C)C1=O ZINC001088694146 754344409 /nfs/dbraw/zinc/34/44/09/754344409.db2.gz WMBKQHPNSDQGBO-KCXAZCMYSA-N 1 1 345.447 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000982978424 754349725 /nfs/dbraw/zinc/34/97/25/754349725.db2.gz XFTDKDUDGHRHIC-GJZGRUSLSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000982978424 754349731 /nfs/dbraw/zinc/34/97/31/754349731.db2.gz XFTDKDUDGHRHIC-GJZGRUSLSA-N 1 1 343.431 0.394 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1 ZINC001008973264 754376324 /nfs/dbraw/zinc/37/63/24/754376324.db2.gz ZKFYDLQQHJBKCY-NGFQHRJXSA-N 1 1 341.415 0.272 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CC(C)(C)C)C1 ZINC001149182014 754423117 /nfs/dbraw/zinc/42/31/17/754423117.db2.gz LMNQIUUUYLQNOC-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)CC(C)(C)C)C1 ZINC001149182014 754423121 /nfs/dbraw/zinc/42/31/21/754423121.db2.gz LMNQIUUUYLQNOC-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001009206762 754654034 /nfs/dbraw/zinc/65/40/34/754654034.db2.gz YNZNQBFSPMEJLX-GFCCVEGCSA-N 1 1 330.392 0.578 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001009229896 754686275 /nfs/dbraw/zinc/68/62/75/754686275.db2.gz FCCNSEAXWZUTGN-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001009229896 754686279 /nfs/dbraw/zinc/68/62/79/754686279.db2.gz FCCNSEAXWZUTGN-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccn[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105611573 754742292 /nfs/dbraw/zinc/74/22/92/754742292.db2.gz SYMCTPABGZXGER-FPAYPSAMSA-N 1 1 344.459 0.942 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000983171322 754772811 /nfs/dbraw/zinc/77/28/11/754772811.db2.gz SGWWEQHFFKJLKZ-WBVHZDCISA-N 1 1 343.427 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000983171322 754772814 /nfs/dbraw/zinc/77/28/14/754772814.db2.gz SGWWEQHFFKJLKZ-WBVHZDCISA-N 1 1 343.427 0.884 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990164273 754789950 /nfs/dbraw/zinc/78/99/50/754789950.db2.gz UAWIBSZFUNCYOF-DOTOQJQBSA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990164273 754789953 /nfs/dbraw/zinc/78/99/53/754789953.db2.gz UAWIBSZFUNCYOF-DOTOQJQBSA-N 1 1 339.403 0.942 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001028712020 754793397 /nfs/dbraw/zinc/79/33/97/754793397.db2.gz JIWGJAKXQRVNOW-KBPBESRZSA-N 1 1 329.391 0.414 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)cc1F ZINC001028734789 754909727 /nfs/dbraw/zinc/90/97/27/754909727.db2.gz CINGDCWWXFOWLJ-DZGCQCFKSA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H]2CCCNC2=O)CC3)c[nH]1 ZINC000990289050 754926967 /nfs/dbraw/zinc/92/69/67/754926967.db2.gz NNEDWAITXOVOIZ-RKVPGOIHSA-N 1 1 341.415 0.892 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccn(C)n3)C2)C1=O ZINC001009537571 754986719 /nfs/dbraw/zinc/98/67/19/754986719.db2.gz NRSNMMZTDYPRKL-DZGCQCFKSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccn(C)n3)C2)C1=O ZINC001009537571 754986723 /nfs/dbraw/zinc/98/67/23/754986723.db2.gz NRSNMMZTDYPRKL-DZGCQCFKSA-N 1 1 331.420 0.401 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001028793309 755142999 /nfs/dbraw/zinc/14/29/99/755142999.db2.gz VEOYUPUVGUNEFK-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]nnc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105647425 755173533 /nfs/dbraw/zinc/17/35/33/755173533.db2.gz QYBPJCNZUOYVSB-GZOSKZMVSA-N 1 1 345.447 0.716 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccnnc3)C2)C1=O ZINC001028826433 755231137 /nfs/dbraw/zinc/23/11/37/755231137.db2.gz FKYQJWVLCKGCHT-DZGCQCFKSA-N 1 1 329.404 0.315 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCOC)c1cncc(C#N)n1 ZINC001126434755 755296102 /nfs/dbraw/zinc/29/61/02/755296102.db2.gz TVTPHLHNGFAIQP-UHFFFAOYSA-N 1 1 348.451 0.648 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](CC[C@@H]3CCOC3)C2)nn1 ZINC001028852229 755309844 /nfs/dbraw/zinc/30/98/44/755309844.db2.gz GMNYECFXOLJBMX-HUUCEWRRSA-N 1 1 333.436 0.942 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3nnc[nH]3)C2)cc1C#N ZINC001028875669 755359530 /nfs/dbraw/zinc/35/95/30/755359530.db2.gz LGHLRKVKKAYTLV-ZDUSSCGKSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3ncn[nH]3)C2)cc1C#N ZINC001028875669 755359537 /nfs/dbraw/zinc/35/95/37/755359537.db2.gz LGHLRKVKKAYTLV-ZDUSSCGKSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3ncn[nH]3)C2)cc1C#N ZINC001028875669 755359540 /nfs/dbraw/zinc/35/95/40/755359540.db2.gz LGHLRKVKKAYTLV-ZDUSSCGKSA-N 1 1 340.387 0.937 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001028898404 755429981 /nfs/dbraw/zinc/42/99/81/755429981.db2.gz CGWYNTSATHXQOZ-LSDHHAIUSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3nocc3C)C2)C1=O ZINC001028911433 755461311 /nfs/dbraw/zinc/46/13/11/755461311.db2.gz FDWPNGLZOFYXAL-KBPBESRZSA-N 1 1 332.404 0.822 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001028916749 755473387 /nfs/dbraw/zinc/47/33/87/755473387.db2.gz UOVGESCGPYDBKB-AWEZNQCLSA-N 1 1 331.420 0.705 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001028918245 755473776 /nfs/dbraw/zinc/47/37/76/755473776.db2.gz CLQFNGBDBQBMIV-CYBMUJFWSA-N 1 1 332.404 0.444 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)[C@H]1C ZINC001088771781 755625856 /nfs/dbraw/zinc/62/58/56/755625856.db2.gz YGQGYRIFTWBBGQ-RDBSUJKOSA-N 1 1 329.391 0.555 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C)ncn3)C2)nn1 ZINC001098655951 755651815 /nfs/dbraw/zinc/65/18/15/755651815.db2.gz KTWXNEZWDGCKFK-AWEZNQCLSA-N 1 1 327.392 0.739 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088793258 755706789 /nfs/dbraw/zinc/70/67/89/755706789.db2.gz AUELNGAVENEHNG-PVAVHDDUSA-N 1 1 325.412 0.753 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1CC#Cc1ccccc1 ZINC001088793258 755706794 /nfs/dbraw/zinc/70/67/94/755706794.db2.gz AUELNGAVENEHNG-PVAVHDDUSA-N 1 1 325.412 0.753 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C2 ZINC001098171337 755715892 /nfs/dbraw/zinc/71/58/92/755715892.db2.gz ABFJOQRUMKNUDY-JJXSEGSLSA-N 1 1 338.473 0.946 20 30 ECEDMO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C2 ZINC001098171337 755715898 /nfs/dbraw/zinc/71/58/98/755715898.db2.gz ABFJOQRUMKNUDY-JJXSEGSLSA-N 1 1 338.473 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncccc2C)C1 ZINC000990732539 755796143 /nfs/dbraw/zinc/79/61/43/755796143.db2.gz VTSRASIPWSLJEP-HNNXBMFYSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncccc2C)C1 ZINC000990732539 755796146 /nfs/dbraw/zinc/79/61/46/755796146.db2.gz VTSRASIPWSLJEP-HNNXBMFYSA-N 1 1 326.400 0.428 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C)nc3)C2)C1=O ZINC001010217619 755829625 /nfs/dbraw/zinc/82/96/25/755829625.db2.gz JEHLDEOUQHGURE-JKSUJKDBSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)nc3)C2)C1=O ZINC001010217619 755829628 /nfs/dbraw/zinc/82/96/28/755829628.db2.gz JEHLDEOUQHGURE-JKSUJKDBSA-N 1 1 328.416 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncc(F)c2)C1 ZINC000990794049 755919582 /nfs/dbraw/zinc/91/95/82/755919582.db2.gz IIMCNLPMJKQRML-HNNXBMFYSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncc(F)c2)C1 ZINC000990794049 755919585 /nfs/dbraw/zinc/91/95/85/755919585.db2.gz IIMCNLPMJKQRML-HNNXBMFYSA-N 1 1 330.363 0.259 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)[C@@H](O)C1 ZINC001083530475 755950657 /nfs/dbraw/zinc/95/06/57/755950657.db2.gz PJQMQYHCEREVIQ-JQHSSLGASA-N 1 1 328.412 0.910 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)[C@@H](O)C1 ZINC001083530475 755950659 /nfs/dbraw/zinc/95/06/59/755950659.db2.gz PJQMQYHCEREVIQ-JQHSSLGASA-N 1 1 328.412 0.910 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)[C@@H](O)C1 ZINC001083531394 755952650 /nfs/dbraw/zinc/95/26/50/755952650.db2.gz LZGVQQURHFTRMR-XHSDSOJGSA-N 1 1 329.400 0.251 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H](COC)OC)CC1 ZINC001105679803 755968145 /nfs/dbraw/zinc/96/81/45/755968145.db2.gz GNLFZFCNQDFRPT-FGTMMUONSA-N 1 1 349.475 0.421 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001076028685 756015677 /nfs/dbraw/zinc/01/56/77/756015677.db2.gz KLUBKQVNHULTAB-GJZGRUSLSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001076028685 756015684 /nfs/dbraw/zinc/01/56/84/756015684.db2.gz KLUBKQVNHULTAB-GJZGRUSLSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ocnc1C ZINC001076061300 756052122 /nfs/dbraw/zinc/05/21/22/756052122.db2.gz PMUMHNFTLXDDMX-JSGCOSHPSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ocnc1C ZINC001076061300 756052130 /nfs/dbraw/zinc/05/21/30/756052130.db2.gz PMUMHNFTLXDDMX-JSGCOSHPSA-N 1 1 332.404 0.705 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001076071435 756057300 /nfs/dbraw/zinc/05/73/00/756057300.db2.gz ROXIRPJXDJKNJQ-STQMWFEESA-N 1 1 331.420 0.853 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1 ZINC001076087193 756067913 /nfs/dbraw/zinc/06/79/13/756067913.db2.gz KMCQRLIEZNBEFF-SWLSCSKDSA-N 1 1 325.372 0.111 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1 ZINC001076087193 756067917 /nfs/dbraw/zinc/06/79/17/756067917.db2.gz KMCQRLIEZNBEFF-SWLSCSKDSA-N 1 1 325.372 0.111 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(F)nc3)C2)C1=O ZINC001010384150 756068697 /nfs/dbraw/zinc/06/86/97/756068697.db2.gz KCTAXGXTVWOUCA-KGLIPLIRSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(F)nc3)C2)C1=O ZINC001010384150 756068701 /nfs/dbraw/zinc/06/87/01/756068701.db2.gz KCTAXGXTVWOUCA-KGLIPLIRSA-N 1 1 332.379 0.812 20 30 ECEDMO CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010476619 756167087 /nfs/dbraw/zinc/16/70/87/756167087.db2.gz HZMKJYANYYTXQB-HIFRSBDPSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010476619 756167090 /nfs/dbraw/zinc/16/70/90/756167090.db2.gz HZMKJYANYYTXQB-HIFRSBDPSA-N 1 1 329.404 0.700 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ncccc3C)C2)C1=O ZINC001010486824 756176220 /nfs/dbraw/zinc/17/62/20/756176220.db2.gz CTESIJHMDHAHMV-HUUCEWRRSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ncccc3C)C2)C1=O ZINC001010486824 756176223 /nfs/dbraw/zinc/17/62/23/756176223.db2.gz CTESIJHMDHAHMV-HUUCEWRRSA-N 1 1 328.416 0.981 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001076183216 756181918 /nfs/dbraw/zinc/18/19/18/756181918.db2.gz PDXZPYYNYDLFOZ-STQMWFEESA-N 1 1 331.420 0.853 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cncc(F)c3)C2)C1=O ZINC001010512069 756196500 /nfs/dbraw/zinc/19/65/00/756196500.db2.gz KWRKHYVBTHSRDV-HUUCEWRRSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cncc(F)c3)C2)C1=O ZINC001010512069 756196504 /nfs/dbraw/zinc/19/65/04/756196504.db2.gz KWRKHYVBTHSRDV-HUUCEWRRSA-N 1 1 332.379 0.812 20 30 ECEDMO CCc1nnc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)[nH]1 ZINC001051608727 762457203 /nfs/dbraw/zinc/45/72/03/762457203.db2.gz IAPNYZITJJSGDE-OCCSQVGLSA-N 1 1 331.420 0.659 20 30 ECEDMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083545571 756297872 /nfs/dbraw/zinc/29/78/72/756297872.db2.gz XKZSRGAJUCOZAI-CVEARBPZSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083545571 756297874 /nfs/dbraw/zinc/29/78/74/756297874.db2.gz XKZSRGAJUCOZAI-CVEARBPZSA-N 1 1 339.399 0.575 20 30 ECEDMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1nnnn1C1CC1 ZINC001051608640 762457275 /nfs/dbraw/zinc/45/72/75/762457275.db2.gz GRXRHGPJRRGEHI-DOMZBBRYSA-N 1 1 344.419 0.299 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001076262408 756298647 /nfs/dbraw/zinc/29/86/47/756298647.db2.gz AUDCTZNPUODWTI-SVGFKBNWSA-N 1 1 347.459 0.731 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001076262408 756298651 /nfs/dbraw/zinc/29/86/51/756298651.db2.gz AUDCTZNPUODWTI-SVGFKBNWSA-N 1 1 347.459 0.731 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)[nH]1 ZINC001010658247 756360613 /nfs/dbraw/zinc/36/06/13/756360613.db2.gz QLNWEVAKGCLKSZ-YPMHNXCESA-N 1 1 336.417 0.125 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)[nH]1 ZINC001010658247 756360618 /nfs/dbraw/zinc/36/06/18/756360618.db2.gz QLNWEVAKGCLKSZ-YPMHNXCESA-N 1 1 336.417 0.125 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)CCCN(C(=O)[C@H](C)C#N)C2 ZINC001010666797 756370995 /nfs/dbraw/zinc/37/09/95/756370995.db2.gz JJJNNFMGHKOFHP-CYBMUJFWSA-N 1 1 329.404 0.802 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)nn1 ZINC001076336160 756377525 /nfs/dbraw/zinc/37/75/25/756377525.db2.gz MLEVMZPZLIQDFE-VNHYZAJKSA-N 1 1 346.435 0.087 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)nn1 ZINC001076336160 756377529 /nfs/dbraw/zinc/37/75/29/756377529.db2.gz MLEVMZPZLIQDFE-VNHYZAJKSA-N 1 1 346.435 0.087 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)cc1 ZINC001076333483 756388168 /nfs/dbraw/zinc/38/81/68/756388168.db2.gz BTTFFNNWPBTHGN-UKPHBRMFSA-N 1 1 341.411 0.719 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)cc1 ZINC001076333483 756388171 /nfs/dbraw/zinc/38/81/71/756388171.db2.gz BTTFFNNWPBTHGN-UKPHBRMFSA-N 1 1 341.411 0.719 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001010685371 756395141 /nfs/dbraw/zinc/39/51/41/756395141.db2.gz VEWMTOXTXYLUOO-RBSFLKMASA-N 1 1 332.448 0.937 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010688794 756399945 /nfs/dbraw/zinc/39/99/45/756399945.db2.gz HONFROWBCIFWCH-NVXWUHKLSA-N 1 1 346.406 0.718 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010688794 756399950 /nfs/dbraw/zinc/39/99/50/756399950.db2.gz HONFROWBCIFWCH-NVXWUHKLSA-N 1 1 346.406 0.718 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010690863 756402795 /nfs/dbraw/zinc/40/27/95/756402795.db2.gz QACOWAYYDAWKFA-HIFRSBDPSA-N 1 1 327.388 0.477 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010690863 756402798 /nfs/dbraw/zinc/40/27/98/756402798.db2.gz QACOWAYYDAWKFA-HIFRSBDPSA-N 1 1 327.388 0.477 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010756733 756485643 /nfs/dbraw/zinc/48/56/43/756485643.db2.gz ZEOFIJOZZRHATN-KRWDZBQOSA-N 1 1 326.400 0.727 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1 ZINC001076440750 756518564 /nfs/dbraw/zinc/51/85/64/756518564.db2.gz FPRGAKSWQJTDCO-XJKSGUPXSA-N 1 1 329.404 0.409 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1 ZINC001076440750 756518569 /nfs/dbraw/zinc/51/85/69/756518569.db2.gz FPRGAKSWQJTDCO-XJKSGUPXSA-N 1 1 329.404 0.409 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)s1 ZINC001076478083 756564828 /nfs/dbraw/zinc/56/48/28/756564828.db2.gz KZHVLTGNZULGIF-TUKIKUTGSA-N 1 1 344.440 0.931 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)s1 ZINC001076478083 756564831 /nfs/dbraw/zinc/56/48/31/756564831.db2.gz KZHVLTGNZULGIF-TUKIKUTGSA-N 1 1 344.440 0.931 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001010834808 756581311 /nfs/dbraw/zinc/58/13/11/756581311.db2.gz CLZWJKLNECBWPV-ZDUSSCGKSA-N 1 1 329.404 0.802 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001010834830 756581339 /nfs/dbraw/zinc/58/13/39/756581339.db2.gz CUBLXBMVCVBVMJ-RBSFLKMASA-N 1 1 332.448 0.937 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 ZINC001076531615 756616126 /nfs/dbraw/zinc/61/61/26/756616126.db2.gz UYKHDFCQXCWAPM-UONOGXRCSA-N 1 1 348.447 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010921002 756671109 /nfs/dbraw/zinc/67/11/09/756671109.db2.gz QGJYNYPASGHDMV-INIZCTEOSA-N 1 1 339.399 0.268 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010921002 756671113 /nfs/dbraw/zinc/67/11/13/756671113.db2.gz QGJYNYPASGHDMV-INIZCTEOSA-N 1 1 339.399 0.268 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccn(C)n4)[C@@H]3C2)C1=O ZINC001076570414 756673161 /nfs/dbraw/zinc/67/31/61/756673161.db2.gz NPBBDVAZFVWTTO-NUEKZKHPSA-N 1 1 343.431 0.353 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001010954660 756699387 /nfs/dbraw/zinc/69/93/87/756699387.db2.gz DLMHASTZCHJHHV-DTDBQYNISA-N 1 1 332.448 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccnc(C)n1 ZINC001076620119 756732504 /nfs/dbraw/zinc/73/25/04/756732504.db2.gz JXFVFCNQSSPHDD-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccnc(C)n1 ZINC001076620119 756732507 /nfs/dbraw/zinc/73/25/07/756732507.db2.gz JXFVFCNQSSPHDD-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2cnc(C#N)cn2)C1 ZINC001060129255 756804993 /nfs/dbraw/zinc/80/49/93/756804993.db2.gz LKHUQGCIPZGIJA-CABCVRRESA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2cnc(C#N)cn2)C1 ZINC001060129255 756804996 /nfs/dbraw/zinc/80/49/96/756804996.db2.gz LKHUQGCIPZGIJA-CABCVRRESA-N 1 1 344.419 0.154 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)N(CCOC)C3)CCC[C@@H]12 ZINC000990938862 756926176 /nfs/dbraw/zinc/92/61/76/756926176.db2.gz YGQFZFAXVBNAIR-GPMSIDNRSA-N 1 1 347.459 0.618 20 30 ECEDMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)nn1 ZINC001048771361 756944269 /nfs/dbraw/zinc/94/42/69/756944269.db2.gz IQMCJEDJWSQREB-TXEJJXNPSA-N 1 1 325.376 0.219 20 30 ECEDMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)nn1 ZINC001048771361 756944275 /nfs/dbraw/zinc/94/42/75/756944275.db2.gz IQMCJEDJWSQREB-TXEJJXNPSA-N 1 1 325.376 0.219 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)C1=O ZINC001048771362 756944428 /nfs/dbraw/zinc/94/44/28/756944428.db2.gz IRFKKTHGUHTUIP-DVOMOZLQSA-N 1 1 341.415 0.511 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)C1=O ZINC001048779419 756965809 /nfs/dbraw/zinc/96/58/09/756965809.db2.gz UHULYIAANZJNQJ-LZWOXQAQSA-N 1 1 341.415 0.511 20 30 ECEDMO C=CCOCC(=O)NCc1cn(C2C[NH+](CCCOCC)C2)nn1 ZINC001107146441 757039948 /nfs/dbraw/zinc/03/99/48/757039948.db2.gz JXTFVPVWAJPZQY-UHFFFAOYSA-N 1 1 337.424 0.380 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C1 ZINC001048803537 757045248 /nfs/dbraw/zinc/04/52/48/757045248.db2.gz JKPLZNVBGPRINU-PHIMTYICSA-N 1 1 340.225 0.728 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C1 ZINC001048803537 757045261 /nfs/dbraw/zinc/04/52/61/757045261.db2.gz JKPLZNVBGPRINU-PHIMTYICSA-N 1 1 340.225 0.728 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048810666 757067865 /nfs/dbraw/zinc/06/78/65/757067865.db2.gz RNRFGSQWQBZRAR-CALCHBBNSA-N 1 1 327.432 0.699 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC001048814115 757080957 /nfs/dbraw/zinc/08/09/57/757080957.db2.gz WJJPGEMMLBGUFF-HOTGVXAUSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(OCC(N)=O)c3)CCC[C@H]12 ZINC000990972613 757108966 /nfs/dbraw/zinc/10/89/66/757108966.db2.gz KIPHGKGHEPEBSO-QFBILLFUSA-N 1 1 341.411 0.911 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC3CC3)C2)CC[N@H+]1C ZINC001048824804 757116758 /nfs/dbraw/zinc/11/67/58/757116758.db2.gz LKVBBYKIYIRIRS-YVSFHVDLSA-N 1 1 347.459 0.160 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3cccnc3)nn2)C1 ZINC001107159807 757133472 /nfs/dbraw/zinc/13/34/72/757133472.db2.gz WUVKRLFXNVBCBU-UHFFFAOYSA-N 1 1 326.404 0.965 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001048832576 757137197 /nfs/dbraw/zinc/13/71/97/757137197.db2.gz NZECHYIWPVPQJK-GJZGRUSLSA-N 1 1 346.431 0.271 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@@H]2C1 ZINC001048833675 757139183 /nfs/dbraw/zinc/13/91/83/757139183.db2.gz RRQTZZHAGOAPNQ-QKPAOTATSA-N 1 1 339.867 0.992 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@@H]2C1 ZINC001048833675 757139188 /nfs/dbraw/zinc/13/91/88/757139188.db2.gz RRQTZZHAGOAPNQ-QKPAOTATSA-N 1 1 339.867 0.992 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC(=O)N(CCOC)C3)CCC[C@@H]12 ZINC000990975976 757152161 /nfs/dbraw/zinc/15/21/61/757152161.db2.gz WWSZIUJYTMXBRW-FRQCXROJSA-N 1 1 347.459 0.618 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)c1 ZINC001076793202 757188785 /nfs/dbraw/zinc/18/87/85/757188785.db2.gz COSPYRJWZXRSDJ-GVDBMIGSSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)c1 ZINC001076793202 757188788 /nfs/dbraw/zinc/18/87/88/757188788.db2.gz COSPYRJWZXRSDJ-GVDBMIGSSA-N 1 1 329.400 0.646 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nc1 ZINC001011208194 757191432 /nfs/dbraw/zinc/19/14/32/757191432.db2.gz MGXTWFVNSAKQPV-GDBMZVCRSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@H]2C1 ZINC001048855953 757192976 /nfs/dbraw/zinc/19/29/76/757192976.db2.gz MENVZUBUFCDCQD-SOUVJXGZSA-N 1 1 344.463 0.945 20 30 ECEDMO C#CCCCCC(=O)NCc1cn(C2C[NH+](C[C@@H](C)OC)C2)nn1 ZINC001107163073 757195978 /nfs/dbraw/zinc/19/59/78/757195978.db2.gz ZNXXRVLYKPTRAJ-CQSZACIVSA-N 1 1 333.436 0.980 20 30 ECEDMO COCCCCC[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107171244 757217597 /nfs/dbraw/zinc/21/75/97/757217597.db2.gz PNFAYZSKDCZBKG-UHFFFAOYSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001048869873 757237129 /nfs/dbraw/zinc/23/71/29/757237129.db2.gz GJUPZJTYVYJUDY-FJIDUMEYSA-N 1 1 331.460 0.511 20 30 ECEDMO C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001048874132 757252148 /nfs/dbraw/zinc/25/21/48/757252148.db2.gz SQOCDAJEDDMMCF-PMPSAXMXSA-N 1 1 347.459 0.162 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C[C@H]2C1 ZINC001048898442 757336217 /nfs/dbraw/zinc/33/62/17/757336217.db2.gz BHYIMYMPJZVMNL-MELADBBJSA-N 1 1 331.420 0.512 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(C)ncn2C)CC1 ZINC001011269372 757352173 /nfs/dbraw/zinc/35/21/73/757352173.db2.gz MWXTXEVJYVVZKX-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(C)ncn2C)CC1 ZINC001011269372 757352185 /nfs/dbraw/zinc/35/21/85/757352185.db2.gz MWXTXEVJYVVZKX-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ncn(C)n3)C2)nn1 ZINC001098667088 757356781 /nfs/dbraw/zinc/35/67/81/757356781.db2.gz QGOFZAUETVFPHO-ZDUSSCGKSA-N 1 1 330.396 0.160 20 30 ECEDMO C#Cc1cncc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)c1 ZINC001021373534 757361974 /nfs/dbraw/zinc/36/19/74/757361974.db2.gz DEILZLOIWHORTL-GVZPALNKSA-N 1 1 326.400 0.662 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2c2nccnc2C#N)C1 ZINC001060144896 757364049 /nfs/dbraw/zinc/36/40/49/757364049.db2.gz JVNJILWNJKDEAA-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C#Cc1cncc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)c1 ZINC001021375973 757364376 /nfs/dbraw/zinc/36/43/76/757364376.db2.gz FFEDQAYZAUARGQ-NPYXIHBLSA-N 1 1 338.411 0.677 20 30 ECEDMO CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001076856031 757399178 /nfs/dbraw/zinc/39/91/78/757399178.db2.gz XXKKBYJLAJUGST-MOBWVJJFSA-N 1 1 332.404 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2oncc2C)CC1 ZINC001011314679 757489956 /nfs/dbraw/zinc/48/99/56/757489956.db2.gz CVUDKINUGCECRH-AWEZNQCLSA-N 1 1 330.388 0.365 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2oncc2C)CC1 ZINC001011314679 757489960 /nfs/dbraw/zinc/48/99/60/757489960.db2.gz CVUDKINUGCECRH-AWEZNQCLSA-N 1 1 330.388 0.365 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1 ZINC001021496845 757513818 /nfs/dbraw/zinc/51/38/18/757513818.db2.gz UIZJYKHZXAKJLT-HRCADAONSA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1 ZINC001021496845 757513826 /nfs/dbraw/zinc/51/38/26/757513826.db2.gz UIZJYKHZXAKJLT-HRCADAONSA-N 1 1 347.459 0.304 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)[nH]1 ZINC001076898731 757518425 /nfs/dbraw/zinc/51/84/25/757518425.db2.gz XSRSJBQOGBTIAZ-JHJVBQTASA-N 1 1 340.330 0.085 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)[nH]1 ZINC001076898731 757518433 /nfs/dbraw/zinc/51/84/33/757518433.db2.gz XSRSJBQOGBTIAZ-JHJVBQTASA-N 1 1 340.330 0.085 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]2C1 ZINC001048968141 757542670 /nfs/dbraw/zinc/54/26/70/757542670.db2.gz SOKPZJWPGVAIDY-BETUJISGSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001060316767 762558592 /nfs/dbraw/zinc/55/85/92/762558592.db2.gz GJOXDXSTEPUVEV-BBWFWOEESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001060316767 762558597 /nfs/dbraw/zinc/55/85/97/762558597.db2.gz GJOXDXSTEPUVEV-BBWFWOEESA-N 1 1 347.459 0.475 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048977409 757580713 /nfs/dbraw/zinc/58/07/13/757580713.db2.gz BYUWRECXCJPLFN-OWCLPIDISA-N 1 1 332.448 0.846 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC001021555781 757597850 /nfs/dbraw/zinc/59/78/50/757597850.db2.gz NHRBTGALWAAQDY-ZBFHGGJFSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC001021555779 757598481 /nfs/dbraw/zinc/59/84/81/757598481.db2.gz NHRBTGALWAAQDY-GOEBONIOSA-N 1 1 343.431 0.901 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]21 ZINC001021585934 757643841 /nfs/dbraw/zinc/64/38/41/757643841.db2.gz XVVASZDASYFQNZ-IRXDYDNUSA-N 1 1 329.444 0.945 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNc2nc(C)cc(C#N)n2)C1 ZINC001107210541 757692830 /nfs/dbraw/zinc/69/28/30/757692830.db2.gz LXNGVXALEMTUGD-XVWMLYKFSA-N 1 1 344.419 0.462 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2nc(C)cc(C#N)n2)C1 ZINC001107210541 757692834 /nfs/dbraw/zinc/69/28/34/757692834.db2.gz LXNGVXALEMTUGD-XVWMLYKFSA-N 1 1 344.419 0.462 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021621226 757698604 /nfs/dbraw/zinc/69/86/04/757698604.db2.gz ZQYDKBFBPRDIFJ-CABCVRRESA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021621226 757698606 /nfs/dbraw/zinc/69/86/06/757698606.db2.gz ZQYDKBFBPRDIFJ-CABCVRRESA-N 1 1 326.462 0.920 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]3C2)cc1 ZINC001049021935 757719421 /nfs/dbraw/zinc/71/94/21/757719421.db2.gz GNFARIXAJMMJIV-IYBDPMFKSA-N 1 1 338.411 0.714 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001076954519 757724221 /nfs/dbraw/zinc/72/42/21/757724221.db2.gz RWMPPIRNKYDOMK-GJZGRUSLSA-N 1 1 346.431 0.811 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NCc2cn(C3CN(CC#N)C3)nn2)C1 ZINC001107212191 757745384 /nfs/dbraw/zinc/74/53/84/757745384.db2.gz SBMQBHDBAIKZIM-UHFFFAOYSA-N 1 1 331.424 0.006 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccoc2CC(N)=O)C1 ZINC001021657789 757746934 /nfs/dbraw/zinc/74/69/34/757746934.db2.gz IITGSNNENLFCEQ-ZFWWWQNUSA-N 1 1 329.400 0.867 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2nnnc2C(C)C)C1 ZINC001021686971 757781128 /nfs/dbraw/zinc/78/11/28/757781128.db2.gz CUWZTJVZFVCLJY-GJZGRUSLSA-N 1 1 330.436 0.743 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(C)nn3)C2)nn1 ZINC001098667426 757795795 /nfs/dbraw/zinc/79/57/95/757795795.db2.gz ZNFDIMUBEJJYIP-ZDUSSCGKSA-N 1 1 330.396 0.160 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001021711187 757845045 /nfs/dbraw/zinc/84/50/45/757845045.db2.gz TWLBAYJRXAXUDJ-UONOGXRCSA-N 1 1 346.431 0.263 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2nc(C)ccc2=O)C1 ZINC001021719733 757860650 /nfs/dbraw/zinc/86/06/50/757860650.db2.gz RKUZYFCWPWHUNJ-HZPDHXFCSA-N 1 1 328.416 0.498 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021724519 757864816 /nfs/dbraw/zinc/86/48/16/757864816.db2.gz MISPYMRXKMWHOO-CVEARBPZSA-N 1 1 347.463 0.779 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001076997617 757865196 /nfs/dbraw/zinc/86/51/96/757865196.db2.gz AQISSJMLDSNMCG-HZPDHXFCSA-N 1 1 334.420 0.586 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021725347 757865507 /nfs/dbraw/zinc/86/55/07/757865507.db2.gz RRFMNNDMTHGRCR-HZPDHXFCSA-N 1 1 345.447 0.226 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@H]2C1 ZINC001049073218 757881805 /nfs/dbraw/zinc/88/18/05/757881805.db2.gz HCPZCZSTRIHAGW-KFWWJZLASA-N 1 1 330.436 0.592 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2nc3ncccn3n2)C1 ZINC001021737114 757885927 /nfs/dbraw/zinc/88/59/27/757885927.db2.gz RMXTUCBBEXKGRN-HUUCEWRRSA-N 1 1 338.415 0.613 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CCO)CC[C@H]32)CC1 ZINC001021738724 757887960 /nfs/dbraw/zinc/88/79/60/757887960.db2.gz CVDGVNHFSIXPGZ-QZTJIDSGSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCO)CC[C@H]32)CC1 ZINC001021738724 757887967 /nfs/dbraw/zinc/88/79/67/757887967.db2.gz CVDGVNHFSIXPGZ-QZTJIDSGSA-N 1 1 333.476 0.637 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001049084637 757918050 /nfs/dbraw/zinc/91/80/50/757918050.db2.gz INWPOFWZDSHARZ-JYJNAYRXSA-N 1 1 348.447 0.824 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)C1 ZINC000996539243 757962894 /nfs/dbraw/zinc/96/28/94/757962894.db2.gz QNFSELKHWJFYJV-FQLMCAECSA-N 1 1 341.415 0.700 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)C[C@@H]2C1 ZINC001049111255 757986616 /nfs/dbraw/zinc/98/66/16/757986616.db2.gz MIXDOWKSASWVMN-XRGAULLZSA-N 1 1 332.404 0.941 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)C[C@@H]2C1 ZINC001049111255 757986621 /nfs/dbraw/zinc/98/66/21/757986621.db2.gz MIXDOWKSASWVMN-XRGAULLZSA-N 1 1 332.404 0.941 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNc1ccnc(C#N)n1 ZINC001107229393 757991862 /nfs/dbraw/zinc/99/18/62/757991862.db2.gz JCWBAIHXUWSJHM-ZRUQZJFASA-N 1 1 328.420 0.729 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@H]2C1 ZINC001049114289 757999225 /nfs/dbraw/zinc/99/92/25/757999225.db2.gz CMUVLLOSJSZGSK-BETUJISGSA-N 1 1 327.388 0.521 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)nn2C)C1=O ZINC001032304587 758107135 /nfs/dbraw/zinc/10/71/35/758107135.db2.gz NTMQTEGMFNDCFY-SOUVJXGZSA-N 1 1 343.431 0.414 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)nn2C)C1=O ZINC001032304587 758107140 /nfs/dbraw/zinc/10/71/40/758107140.db2.gz NTMQTEGMFNDCFY-SOUVJXGZSA-N 1 1 343.431 0.414 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)C3(N4CCOCC4)CCC3)C[C@H]2C1 ZINC001049145136 758118197 /nfs/dbraw/zinc/11/81/97/758118197.db2.gz LYTBFJBNYPBERH-CALCHBBNSA-N 1 1 331.460 0.655 20 30 ECEDMO COCCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001021983683 758128949 /nfs/dbraw/zinc/12/89/49/758128949.db2.gz CLDYUDRENWRFHF-TXEJJXNPSA-N 1 1 344.375 0.509 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]2C1 ZINC001049154021 758152085 /nfs/dbraw/zinc/15/20/85/758152085.db2.gz BZTUMAHMSIJVCM-BETUJISGSA-N 1 1 334.420 0.283 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)C[C@H]2C1 ZINC001049160593 758173729 /nfs/dbraw/zinc/17/37/29/758173729.db2.gz CJZKNLOEMHHVHI-GASCZTMLSA-N 1 1 343.431 0.657 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnns3)CCC[C@@H]12 ZINC001107293393 758212437 /nfs/dbraw/zinc/21/24/37/758212437.db2.gz CANCFKDJQWHIOW-CZUORRHYSA-N 1 1 347.444 0.262 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)Cn3nc(C)ccc3=O)C[C@H]2C1 ZINC001049182145 758243803 /nfs/dbraw/zinc/24/38/03/758243803.db2.gz BPEVPRBIWZSNHQ-OKILXGFUSA-N 1 1 336.823 0.694 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cncc(F)c1 ZINC001077123930 758251120 /nfs/dbraw/zinc/25/11/20/758251120.db2.gz GPLXZHOQXPMDIL-BBRMVZONSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cncc(F)c1 ZINC001077123930 758251130 /nfs/dbraw/zinc/25/11/30/758251130.db2.gz GPLXZHOQXPMDIL-BBRMVZONSA-N 1 1 346.406 0.943 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccnn2C)C1=O ZINC001032308474 758257245 /nfs/dbraw/zinc/25/72/45/758257245.db2.gz LRFNCNOLFIRHAS-KCQAQPDRSA-N 1 1 329.404 0.106 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccnn2C)C1=O ZINC001032308474 758257253 /nfs/dbraw/zinc/25/72/53/758257253.db2.gz LRFNCNOLFIRHAS-KCQAQPDRSA-N 1 1 329.404 0.106 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107330819 758272376 /nfs/dbraw/zinc/27/23/76/758272376.db2.gz PIMWFTOBKLSWEX-CRAIPNDOSA-N 1 1 335.448 0.828 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(=O)C(C)(C)C)CCC[C@@H]12 ZINC001107334603 758282219 /nfs/dbraw/zinc/28/22/19/758282219.db2.gz NCVXNXXPJONAHO-AUUYWEPGSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C(=O)C(C)(C)C)CCC[C@@H]12 ZINC001107334603 758282224 /nfs/dbraw/zinc/28/22/24/758282224.db2.gz NCVXNXXPJONAHO-AUUYWEPGSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCCO1 ZINC001077124318 758283512 /nfs/dbraw/zinc/28/35/12/758283512.db2.gz RRLQYHHDNVKSCM-HRCADAONSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCCO1 ZINC001077124318 758283515 /nfs/dbraw/zinc/28/35/15/758283515.db2.gz RRLQYHHDNVKSCM-HRCADAONSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c(C)ncn1C ZINC001077124872 758285962 /nfs/dbraw/zinc/28/59/62/758285962.db2.gz HITKOQKRMULOHQ-ZFWWWQNUSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c(C)ncn1C ZINC001077124872 758285967 /nfs/dbraw/zinc/28/59/67/758285967.db2.gz HITKOQKRMULOHQ-ZFWWWQNUSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ccc[nH]1 ZINC001077124745 758287443 /nfs/dbraw/zinc/28/74/43/758287443.db2.gz DPMIUDUYCVBQPW-HOCLYGCPSA-N 1 1 330.432 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ccc[nH]1 ZINC001077124745 758287451 /nfs/dbraw/zinc/28/74/51/758287451.db2.gz DPMIUDUYCVBQPW-HOCLYGCPSA-N 1 1 330.432 0.666 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C)OCC=C ZINC001077125315 758289875 /nfs/dbraw/zinc/28/98/75/758289875.db2.gz RNNOTXULOPARJS-XHSDSOJGSA-N 1 1 335.448 0.686 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C)OCC=C ZINC001077125315 758289877 /nfs/dbraw/zinc/28/98/77/758289877.db2.gz RNNOTXULOPARJS-XHSDSOJGSA-N 1 1 335.448 0.686 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@]1(C)CCCOC1 ZINC001077125404 758290228 /nfs/dbraw/zinc/29/02/28/758290228.db2.gz UMGYISMJVQYVBI-TXPKVOOTSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@]1(C)CCCOC1 ZINC001077125404 758290238 /nfs/dbraw/zinc/29/02/38/758290238.db2.gz UMGYISMJVQYVBI-TXPKVOOTSA-N 1 1 349.475 0.912 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001049202124 758290552 /nfs/dbraw/zinc/29/05/52/758290552.db2.gz DMVJLTBOQAHMKB-TXEJJXNPSA-N 1 1 340.225 0.577 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001049202124 758290560 /nfs/dbraw/zinc/29/05/60/758290560.db2.gz DMVJLTBOQAHMKB-TXEJJXNPSA-N 1 1 340.225 0.577 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1OCC[C@H]1CC ZINC001077138926 758295854 /nfs/dbraw/zinc/29/58/54/758295854.db2.gz YUVKCQRCBIQFBT-YVSFHVDLSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1OCC[C@H]1CC ZINC001077138926 758295860 /nfs/dbraw/zinc/29/58/60/758295860.db2.gz YUVKCQRCBIQFBT-YVSFHVDLSA-N 1 1 349.475 0.910 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCOCC1)CC2 ZINC001107337170 758322271 /nfs/dbraw/zinc/32/22/71/758322271.db2.gz WKDKVVMKXONAAN-HDMKZQKVSA-N 1 1 348.447 0.366 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001077141203 758327307 /nfs/dbraw/zinc/32/73/07/758327307.db2.gz ZGBWNUMRKBYZNC-VXGBXAGGSA-N 1 1 330.310 0.244 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCOC3)CCC[C@@H]12 ZINC001107345175 758355256 /nfs/dbraw/zinc/35/52/56/758355256.db2.gz ZQRNAIJHWBSGBV-FRQCXROJSA-N 1 1 347.459 0.523 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)COc3ccc(C(N)=O)cc3)C[C@H]2C1 ZINC001049222269 758366027 /nfs/dbraw/zinc/36/60/27/758366027.db2.gz ZQHCOJATCBEQNP-GASCZTMLSA-N 1 1 327.384 0.188 20 30 ECEDMO COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC001107363998 758374172 /nfs/dbraw/zinc/37/41/72/758374172.db2.gz ZHXUGNAVJOEFDD-YXJHDRRASA-N 1 1 346.431 0.868 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(c3ccnc(C#N)n3)C[C@H]2C1 ZINC001049244617 758421027 /nfs/dbraw/zinc/42/10/27/758421027.db2.gz KQUMDFHUUGIPQQ-ILXRZTDVSA-N 1 1 340.431 0.727 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(c3cnc(C#N)cn3)C[C@H]2C1 ZINC001049244957 758421693 /nfs/dbraw/zinc/42/16/93/758421693.db2.gz SADXHYOOENWSDU-YCPHGPKFSA-N 1 1 340.431 0.727 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC001022210467 758424802 /nfs/dbraw/zinc/42/48/02/758424802.db2.gz AJVHRUPTHWMNEC-IXDOHACOSA-N 1 1 329.444 0.801 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]2C1 ZINC001049248103 758429371 /nfs/dbraw/zinc/42/93/71/758429371.db2.gz MRISDWGLQKQRKA-BETUJISGSA-N 1 1 334.807 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2noc(C)n2)C1 ZINC001022220509 758441777 /nfs/dbraw/zinc/44/17/77/758441777.db2.gz HOXPLEKKJUBDDU-MHEUCROKSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2noc(C)n2)C1 ZINC001022220509 758441782 /nfs/dbraw/zinc/44/17/82/758441782.db2.gz HOXPLEKKJUBDDU-MHEUCROKSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12 ZINC001107398410 758465673 /nfs/dbraw/zinc/46/56/73/758465673.db2.gz TXNJLPRDIVQLQU-VQIMIIECSA-N 1 1 327.428 0.510 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001049275245 758465985 /nfs/dbraw/zinc/46/59/85/758465985.db2.gz ILZGFQWNXRQDCN-WCVJEAGWSA-N 1 1 337.464 0.713 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)CCO3)[C@@H](O)C1 ZINC001083568516 758534125 /nfs/dbraw/zinc/53/41/25/758534125.db2.gz BTSMBTYNDALHMJ-ZBFHGGJFSA-N 1 1 329.400 0.313 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)CCO3)[C@@H](O)C1 ZINC001083568516 758534132 /nfs/dbraw/zinc/53/41/32/758534132.db2.gz BTSMBTYNDALHMJ-ZBFHGGJFSA-N 1 1 329.400 0.313 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCN1C(=O)CNC1=O ZINC001049374075 758586287 /nfs/dbraw/zinc/58/62/87/758586287.db2.gz XQICMCOACNXJPI-MCIONIFRSA-N 1 1 347.419 0.153 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ccncc2C#N)C1 ZINC001107465971 758624482 /nfs/dbraw/zinc/62/44/82/758624482.db2.gz RVINXKGDRYPQLS-CWIOURORSA-N 1 1 343.431 0.569 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nc1 ZINC001011804847 758627045 /nfs/dbraw/zinc/62/70/45/758627045.db2.gz YMPFIYSLXYLKOU-HNNXBMFYSA-N 1 1 340.427 0.689 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2cc(C)on2)C1=O ZINC001032321292 758659863 /nfs/dbraw/zinc/65/98/63/758659863.db2.gz NSYFNWKKJMUAEW-HRCADAONSA-N 1 1 344.415 0.598 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2cc(C)on2)C1=O ZINC001032321292 758659866 /nfs/dbraw/zinc/65/98/66/758659866.db2.gz NSYFNWKKJMUAEW-HRCADAONSA-N 1 1 344.415 0.598 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049426860 758671044 /nfs/dbraw/zinc/67/10/44/758671044.db2.gz ASUMSRGUHQAWQL-VXGBXAGGSA-N 1 1 325.800 0.802 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049426860 758671045 /nfs/dbraw/zinc/67/10/45/758671045.db2.gz ASUMSRGUHQAWQL-VXGBXAGGSA-N 1 1 325.800 0.802 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001049450509 758724760 /nfs/dbraw/zinc/72/47/60/758724760.db2.gz ZJSOAUIMTBEJCR-RLFYNMQTSA-N 1 1 339.480 0.961 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(CCOC)nn1 ZINC001049463568 758755082 /nfs/dbraw/zinc/75/50/82/758755082.db2.gz HPJOOSOIJVDUMZ-CVEARBPZSA-N 1 1 331.420 0.627 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2O)C1 ZINC001049494268 758802371 /nfs/dbraw/zinc/80/23/71/758802371.db2.gz DUSMHUWOXUNMGT-GJZGRUSLSA-N 1 1 337.464 0.713 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001049505473 758819515 /nfs/dbraw/zinc/81/95/15/758819515.db2.gz PEQHYJUMZKFEAC-YESZJQIVSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3sccn3c2=O)C1 ZINC001077335454 758842256 /nfs/dbraw/zinc/84/22/56/758842256.db2.gz RKYNHXZMHDQLLL-CHWSQXEVSA-N 1 1 348.428 0.497 20 30 ECEDMO C[N@@H+](CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(C#N)n1)C1CCC1 ZINC001105692893 758911568 /nfs/dbraw/zinc/91/15/68/758911568.db2.gz BGWSRSODMFFLQP-UKRRQHHQSA-N 1 1 342.447 0.951 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(=O)n(CCOC)c1 ZINC001049574348 758947486 /nfs/dbraw/zinc/94/74/86/758947486.db2.gz MXTONVHMFSPIQH-SJORKVTESA-N 1 1 343.427 0.807 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001049579354 758956624 /nfs/dbraw/zinc/95/66/24/758956624.db2.gz GAEDMVNBPNJXNH-BZUAXINKSA-N 1 1 332.448 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001049581722 758958434 /nfs/dbraw/zinc/95/84/34/758958434.db2.gz KCEZEKCQWQEOCY-HOTGVXAUSA-N 1 1 344.415 0.202 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077394891 758984543 /nfs/dbraw/zinc/98/45/43/758984543.db2.gz JAMUGTXRLDPAGR-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077395109 758985443 /nfs/dbraw/zinc/98/54/43/758985443.db2.gz UDUZJQCNAUOGEG-VXGBXAGGSA-N 1 1 343.225 0.261 20 30 ECEDMO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001077395319 758986716 /nfs/dbraw/zinc/98/67/16/758986716.db2.gz DMTBUHOGAIDOJY-HNNXBMFYSA-N 1 1 341.452 0.312 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049610897 758991289 /nfs/dbraw/zinc/99/12/89/758991289.db2.gz GKKVJFWWKCOOGY-HUUCEWRRSA-N 1 1 331.420 0.061 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049613069 758993012 /nfs/dbraw/zinc/99/30/12/758993012.db2.gz PKVWKJITORGNCU-HUUCEWRRSA-N 1 1 331.420 0.061 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(CC)nc2C)C1 ZINC001077412381 759025710 /nfs/dbraw/zinc/02/57/10/759025710.db2.gz ZGGZDAUXCYPNAR-HZPDHXFCSA-N 1 1 332.448 0.936 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)CN1C(=O)COC ZINC000991052613 759087084 /nfs/dbraw/zinc/08/70/84/759087084.db2.gz MAOBWRHSRNWAMO-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)CN1C(=O)COC ZINC000991052613 759087092 /nfs/dbraw/zinc/08/70/92/759087092.db2.gz MAOBWRHSRNWAMO-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049721958 759132225 /nfs/dbraw/zinc/13/22/25/759132225.db2.gz HIQLBWJIMKXJTM-LVQVYYBASA-N 1 1 333.432 0.321 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)N(C)C)nn1 ZINC001049771603 759185659 /nfs/dbraw/zinc/18/56/59/759185659.db2.gz BFMKHIOUTIEFAR-CABCVRRESA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)N(C)C)nn1 ZINC001049771603 759185661 /nfs/dbraw/zinc/18/56/61/759185661.db2.gz BFMKHIOUTIEFAR-CABCVRRESA-N 1 1 346.435 0.231 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049780098 759196189 /nfs/dbraw/zinc/19/61/89/759196189.db2.gz ZBMWRBVERKZTEC-HPGRBHQUSA-N 1 1 344.415 0.063 20 30 ECEDMO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001049781209 759197213 /nfs/dbraw/zinc/19/72/13/759197213.db2.gz KZPHIFDTNUTHGX-IAGOWNOFSA-N 1 1 329.448 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001049788955 759209099 /nfs/dbraw/zinc/20/90/99/759209099.db2.gz SXCKCBWROZYFFV-GJZGRUSLSA-N 1 1 339.399 0.643 20 30 ECEDMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212131164 759209238 /nfs/dbraw/zinc/20/92/38/759209238.db2.gz JLKOQJYICMWNRE-RBSFLKMASA-N 1 1 347.419 0.359 20 30 ECEDMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212131164 759209244 /nfs/dbraw/zinc/20/92/44/759209244.db2.gz JLKOQJYICMWNRE-RBSFLKMASA-N 1 1 347.419 0.359 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(=O)n(CC)n1 ZINC001049792400 759216884 /nfs/dbraw/zinc/21/68/84/759216884.db2.gz IVPNHISPPZSSFK-HZPDHXFCSA-N 1 1 328.416 0.965 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(=O)n(CC)n1 ZINC001049792398 759217143 /nfs/dbraw/zinc/21/71/43/759217143.db2.gz IVPNHISPPZSSFK-CVEARBPZSA-N 1 1 328.416 0.965 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049824652 759258232 /nfs/dbraw/zinc/25/82/32/759258232.db2.gz JFNUGLQRUXIKMB-ZIAGYGMSSA-N 1 1 346.431 0.405 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049828312 759262192 /nfs/dbraw/zinc/26/21/92/759262192.db2.gz ZKVDNEQCFVCXEP-KBPBESRZSA-N 1 1 346.431 0.405 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O ZINC001049869060 759321140 /nfs/dbraw/zinc/32/11/40/759321140.db2.gz BOFUKFIQCVZNKU-JKSUJKDBSA-N 1 1 347.463 0.922 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049880447 759337102 /nfs/dbraw/zinc/33/71/02/759337102.db2.gz ASJKVMMMZNMJEI-NWDGAFQWSA-N 1 1 340.811 0.356 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049880447 759337111 /nfs/dbraw/zinc/33/71/11/759337111.db2.gz ASJKVMMMZNMJEI-NWDGAFQWSA-N 1 1 340.811 0.356 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1NC(=O)NC1=O ZINC001049883927 759344180 /nfs/dbraw/zinc/34/41/80/759344180.db2.gz JYWGMSZZUDLQHZ-MGPQQGTHSA-N 1 1 332.404 0.063 20 30 ECEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1scnc1COC ZINC001114939929 759346255 /nfs/dbraw/zinc/34/62/55/759346255.db2.gz SDCQFZJAEHPRHV-IMRBUKKESA-N 1 1 335.429 0.599 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c(C)onc3CC)C2)C1=O ZINC001032181733 759364075 /nfs/dbraw/zinc/36/40/75/759364075.db2.gz SNPFWDOYSCCJLB-HNNXBMFYSA-N 1 1 346.431 0.994 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001047637491 759369529 /nfs/dbraw/zinc/36/95/29/759369529.db2.gz ZDKBDBUTTYVNSZ-ILXRZTDVSA-N 1 1 333.436 0.229 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(=O)n(CCC)n1 ZINC001049896549 759370804 /nfs/dbraw/zinc/37/08/04/759370804.db2.gz ZKPCEKQWODDHOH-CVEARBPZSA-N 1 1 328.416 0.965 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047638665 759375987 /nfs/dbraw/zinc/37/59/87/759375987.db2.gz DMOMDQQSGIZOLK-IKGGRYGDSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001047639139 759378185 /nfs/dbraw/zinc/37/81/85/759378185.db2.gz MVDDJQLJCAHYAY-STQMWFEESA-N 1 1 325.434 0.216 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1nc(C2CC2)nn1C ZINC001049903755 759384616 /nfs/dbraw/zinc/38/46/16/759384616.db2.gz KJOINCMGTWUSPC-GJZGRUSLSA-N 1 1 327.432 0.934 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2c3ccccc3NC2=O)C1 ZINC001047645535 759395111 /nfs/dbraw/zinc/39/51/11/759395111.db2.gz WZIRTJVDTIOBRX-PVAVHDDUSA-N 1 1 341.411 0.639 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ncnc2OC)C1 ZINC001047645411 759396294 /nfs/dbraw/zinc/39/62/94/759396294.db2.gz QFZRRIRSYJMHAB-RYUDHWBXSA-N 1 1 336.392 0.187 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001047645687 759397638 /nfs/dbraw/zinc/39/76/38/759397638.db2.gz FHGBMOKWOFDLTL-XIRDDKMYSA-N 1 1 341.411 0.639 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001047645687 759397646 /nfs/dbraw/zinc/39/76/46/759397646.db2.gz FHGBMOKWOFDLTL-XIRDDKMYSA-N 1 1 341.411 0.639 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nncn2C1 ZINC001049920245 759404440 /nfs/dbraw/zinc/40/44/40/759404440.db2.gz RASNKULIZIAWLT-BZUAXINKSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nncn2C1 ZINC001049920243 759404655 /nfs/dbraw/zinc/40/46/55/759404655.db2.gz RASNKULIZIAWLT-ARFHVFGLSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001047649211 759408765 /nfs/dbraw/zinc/40/87/65/759408765.db2.gz UZGHSZMZCYVNEY-ULQDDVLXSA-N 1 1 328.412 0.825 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001047649211 759408769 /nfs/dbraw/zinc/40/87/69/759408769.db2.gz UZGHSZMZCYVNEY-ULQDDVLXSA-N 1 1 328.412 0.825 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C(N)=O)cn1 ZINC001049924228 759409592 /nfs/dbraw/zinc/40/95/92/759409592.db2.gz CHJBWCWWNRRNKW-JKSUJKDBSA-N 1 1 326.400 0.883 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C(N)=O)nc1 ZINC001049926569 759410845 /nfs/dbraw/zinc/41/08/45/759410845.db2.gz CLBDIALOLYYDHC-HOTGVXAUSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C(N)=O)nc1 ZINC001049926962 759411228 /nfs/dbraw/zinc/41/12/28/759411228.db2.gz GFRRVCAPBFXJDD-HOTGVXAUSA-N 1 1 326.400 0.883 20 30 ECEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CCCN(C(=O)CC(N)=O)[C@@H]3C2)ccc1F ZINC001050004079 759535663 /nfs/dbraw/zinc/53/56/63/759535663.db2.gz ZSUGSSXMDBIJID-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001017345718 767875603 /nfs/dbraw/zinc/87/56/03/767875603.db2.gz ZRHJBZJOWJQRIK-INIZCTEOSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)[C@@H]2C1 ZINC001050062755 759640104 /nfs/dbraw/zinc/64/01/04/759640104.db2.gz FJGZAOUYUGLLNT-GXTWGEPZSA-N 1 1 339.399 0.844 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@H](C)C[NH+]2CCN(CC)CC2)C1=O ZINC000348435048 759648159 /nfs/dbraw/zinc/64/81/59/759648159.db2.gz WLLHSQSZQKZOPC-CABCVRRESA-N 1 1 338.452 0.383 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125111231 759712850 /nfs/dbraw/zinc/71/28/50/759712850.db2.gz SMQHUTPWLBACRM-CZUORRHYSA-N 1 1 331.420 0.160 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCOc3c(F)cccc32)[C@@H](O)C1 ZINC001083628960 759718358 /nfs/dbraw/zinc/71/83/58/759718358.db2.gz WDHPNBMZHFADQU-IMJJTQAJSA-N 1 1 332.375 0.876 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3nc4ccccn4c3=O)[C@@H]2C1 ZINC001050107640 759719064 /nfs/dbraw/zinc/71/90/64/759719064.db2.gz QLJJHLHCLQSJKT-LSDHHAIUSA-N 1 1 341.415 0.605 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(-n4cncn4)nc3)[C@@H]2C1 ZINC001050109744 759724074 /nfs/dbraw/zinc/72/40/74/759724074.db2.gz TZWXGROKMVTOHG-JKSUJKDBSA-N 1 1 336.399 0.832 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)[C@@H]2C1 ZINC001050126853 759762182 /nfs/dbraw/zinc/76/21/82/759762182.db2.gz INHBSSRLPKLVOO-SMDDNHRTSA-N 1 1 325.372 0.833 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001050138546 759782922 /nfs/dbraw/zinc/78/29/22/759782922.db2.gz ISZBHFZCWSNPGE-RFQIPJPRSA-N 1 1 341.839 0.695 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001050138546 759782932 /nfs/dbraw/zinc/78/29/32/759782932.db2.gz ISZBHFZCWSNPGE-RFQIPJPRSA-N 1 1 341.839 0.695 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001050146149 759797994 /nfs/dbraw/zinc/79/79/94/759797994.db2.gz PPCGEFZMGDYEMR-OWCLPIDISA-N 1 1 342.447 0.572 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ncc(C#N)cc2F)C1 ZINC001107093915 759899121 /nfs/dbraw/zinc/89/91/21/759899121.db2.gz OMQCSJQPLYSNMS-BAABZTOOSA-N 1 1 333.367 0.507 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ncc(C#N)cc2F)C1 ZINC001107093915 759899132 /nfs/dbraw/zinc/89/91/32/759899132.db2.gz OMQCSJQPLYSNMS-BAABZTOOSA-N 1 1 333.367 0.507 20 30 ECEDMO Cc1nsc(NC/C=C/CNC(=O)[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001107093811 759899211 /nfs/dbraw/zinc/89/92/11/759899211.db2.gz OFAIZDPOFMTBKI-ITDFMYJTSA-N 1 1 335.433 0.738 20 30 ECEDMO Cc1nsc(NC/C=C/CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001107093811 759899223 /nfs/dbraw/zinc/89/92/23/759899223.db2.gz OFAIZDPOFMTBKI-ITDFMYJTSA-N 1 1 335.433 0.738 20 30 ECEDMO Cc1cc(C#N)nc(NC/C=C/CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001107093267 759908065 /nfs/dbraw/zinc/90/80/65/759908065.db2.gz COLIDDGRNBOWGG-XGACYXMMSA-N 1 1 330.392 0.072 20 30 ECEDMO Cc1cc(C#N)nc(NC/C=C/CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001107093267 759908068 /nfs/dbraw/zinc/90/80/68/759908068.db2.gz COLIDDGRNBOWGG-XGACYXMMSA-N 1 1 330.392 0.072 20 30 ECEDMO C[C@H]([NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C)c1nnnn1C ZINC000995688735 760061683 /nfs/dbraw/zinc/06/16/83/760061683.db2.gz MHAXBKZEPXYXGO-GWCFXTLKSA-N 1 1 342.407 0.611 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)[C@@H]2C)C1 ZINC001050347210 760156946 /nfs/dbraw/zinc/15/69/46/760156946.db2.gz XBUITDRRPMCWRD-KMFMINBZSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)[C@@H]2C)C1 ZINC001050347210 760156954 /nfs/dbraw/zinc/15/69/54/760156954.db2.gz XBUITDRRPMCWRD-KMFMINBZSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)[C@@H]2C)C1 ZINC001050346314 760157187 /nfs/dbraw/zinc/15/71/87/760157187.db2.gz DHAQMGCUZRYJNE-VNHYZAJKSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)[C@@H]2C)C1 ZINC001050346314 760157189 /nfs/dbraw/zinc/15/71/89/760157189.db2.gz DHAQMGCUZRYJNE-VNHYZAJKSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC001127046056 760452291 /nfs/dbraw/zinc/45/22/91/760452291.db2.gz KTWIQQNGCSLNJT-LBPRGKRZSA-N 1 1 331.420 0.735 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c(C)noc2C)C1=O ZINC001032273217 760457617 /nfs/dbraw/zinc/45/76/17/760457617.db2.gz YNLIEQVFLYADGR-KKUMJFAQSA-N 1 1 344.415 0.977 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c(C)noc2C)C1=O ZINC001032273217 760457625 /nfs/dbraw/zinc/45/76/25/760457625.db2.gz YNLIEQVFLYADGR-KKUMJFAQSA-N 1 1 344.415 0.977 20 30 ECEDMO Cn1ncnc1C[NH2+][C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C ZINC000995708943 760473342 /nfs/dbraw/zinc/47/33/42/760473342.db2.gz RNPPIQZYQVAOOE-ZDUSSCGKSA-N 1 1 327.392 0.655 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001012648249 760483896 /nfs/dbraw/zinc/48/38/96/760483896.db2.gz LHFZJPJEOUUANK-RISCZKNCSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 ZINC001127718149 760485533 /nfs/dbraw/zinc/48/55/33/760485533.db2.gz ZKPWSZWNGSPRQV-UHFFFAOYSA-N 1 1 337.387 0.806 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3ccn(C)n3)C2)nn1 ZINC001098673615 760514327 /nfs/dbraw/zinc/51/43/27/760514327.db2.gz SIXWBSHKABBLOT-INIZCTEOSA-N 1 1 343.435 0.693 20 30 ECEDMO COC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)CSCC#N)nn2)C1 ZINC001107129490 760529430 /nfs/dbraw/zinc/52/94/30/760529430.db2.gz AQRBEOJQVSAZAD-LLVKDONJSA-N 1 1 338.437 0.043 20 30 ECEDMO C#CCNC(=O)CC(=O)NC/C=C\CNc1cc(C)[nH+]c(CC)n1 ZINC001107130180 760535021 /nfs/dbraw/zinc/53/50/21/760535021.db2.gz GKGOZNFXJMHTNR-SREVYHEPSA-N 1 1 329.404 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc[nH]1)C2 ZINC000995757230 760597995 /nfs/dbraw/zinc/59/79/95/760597995.db2.gz YZGOFPURZSYSTP-IWCQGFGOSA-N 1 1 340.427 0.974 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc[nH]1)C2 ZINC000995757230 760597998 /nfs/dbraw/zinc/59/79/98/760597998.db2.gz YZGOFPURZSYSTP-IWCQGFGOSA-N 1 1 340.427 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2c(C)noc2C)C1 ZINC000991385365 760625985 /nfs/dbraw/zinc/62/59/85/760625985.db2.gz AEPIVERTUGSOTR-INIZCTEOSA-N 1 1 344.415 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2c(C)noc2C)C1 ZINC000991385365 760625989 /nfs/dbraw/zinc/62/59/89/760625989.db2.gz AEPIVERTUGSOTR-INIZCTEOSA-N 1 1 344.415 0.259 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2coc3c2C(=O)NCCC3)[C@@H](O)C1 ZINC001083657500 760696432 /nfs/dbraw/zinc/69/64/32/760696432.db2.gz CKELUYYVLNEHRA-OLZOCXBDSA-N 1 1 333.388 0.307 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)c1 ZINC001048562541 760722243 /nfs/dbraw/zinc/72/22/43/760722243.db2.gz OENWNHVTJZTYCC-ACHSLPGTSA-N 1 1 340.427 0.782 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001048563945 760725758 /nfs/dbraw/zinc/72/57/58/760725758.db2.gz OUXYJNJJQGCBSS-GGGWTEGZSA-N 1 1 347.459 0.825 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CCS(=O)(=O)CC1)C2 ZINC001048571489 760734408 /nfs/dbraw/zinc/73/44/08/760734408.db2.gz KCDIGIRKICMNLN-RBVVOMGSSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3nncn3C1)C2 ZINC001048590228 760766777 /nfs/dbraw/zinc/76/67/77/760766777.db2.gz IGKQZDFLHIJWOZ-LVQVYYBASA-N 1 1 327.432 0.833 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1nccnc1C#N ZINC001048613117 760792665 /nfs/dbraw/zinc/79/26/65/760792665.db2.gz JKKMWVVKWOEBAZ-NWANDNLSSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1nccnc1C#N ZINC001048613117 760792669 /nfs/dbraw/zinc/79/26/69/760792669.db2.gz JKKMWVVKWOEBAZ-NWANDNLSSA-N 1 1 344.419 0.152 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1 ZINC000995911510 760803876 /nfs/dbraw/zinc/80/38/76/760803876.db2.gz YQOIXSUEYSLAMJ-BFJAYTPKSA-N 1 1 341.415 0.842 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]([C@H](C)NC(=O)C#CC2CC2)C1 ZINC001050770860 760812921 /nfs/dbraw/zinc/81/29/21/760812921.db2.gz DJKVLSHVVMAGHB-BBRMVZONSA-N 1 1 328.416 0.958 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@H]3CN(C(=O)COC)C[C@H]3C2)c1 ZINC001048630591 760821293 /nfs/dbraw/zinc/82/12/93/760821293.db2.gz LANXHRVHZGPLPN-IYBDPMFKSA-N 1 1 341.411 0.643 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+]2C[C@H]3CN(C(=O)COC)C[C@H]3C2)c1 ZINC001048630591 760821303 /nfs/dbraw/zinc/82/13/03/760821303.db2.gz LANXHRVHZGPLPN-IYBDPMFKSA-N 1 1 341.411 0.643 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2nccs2)[C@@H](O)C1 ZINC001083668851 760853194 /nfs/dbraw/zinc/85/31/94/760853194.db2.gz IZLDZMZKGXMADL-MCIONIFRSA-N 1 1 334.445 0.297 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2nccs2)[C@@H](O)C1 ZINC001083668851 760853205 /nfs/dbraw/zinc/85/32/05/760853205.db2.gz IZLDZMZKGXMADL-MCIONIFRSA-N 1 1 334.445 0.297 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccc[nH]4)C[C@H]3C2)C1=O ZINC001048676454 760916698 /nfs/dbraw/zinc/91/66/98/760916698.db2.gz DLBAJBKKXSODPT-LZWOXQAQSA-N 1 1 328.416 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCCOC4)C[C@H]3C2)C1=O ZINC001048719209 761021032 /nfs/dbraw/zinc/02/10/32/761021032.db2.gz CRCLOOIKFWTPSO-MWDXBVQZSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cocn4)C[C@H]3C2)C1=O ZINC001048721050 761030692 /nfs/dbraw/zinc/03/06/92/761030692.db2.gz VROAFUGEUAEAIR-GUTXKFCHSA-N 1 1 330.388 0.465 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001048726044 761050110 /nfs/dbraw/zinc/05/01/10/761050110.db2.gz ZJFCASCAPLKQHU-TUVASFSCSA-N 1 1 339.461 0.361 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC(C)CC3)C[C@@H]2C1 ZINC001048727532 761053197 /nfs/dbraw/zinc/05/31/97/761053197.db2.gz LHXYBROGSAJFKT-OAGGEKHMSA-N 1 1 332.448 0.795 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C[C@H]4CCOC4)C[C@H]3C2)C1=O ZINC001048736538 761077572 /nfs/dbraw/zinc/07/75/72/761077572.db2.gz MFRTZCBYLULQPP-WCXIOVBPSA-N 1 1 347.459 0.590 20 30 ECEDMO Cn1nccc1CC[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048749940 761108440 /nfs/dbraw/zinc/10/84/40/761108440.db2.gz SKKKPGYGYHPWTA-GASCZTMLSA-N 1 1 338.415 0.866 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12 ZINC000991473392 761111039 /nfs/dbraw/zinc/11/10/39/761111039.db2.gz OHWKTPYQQIEDPY-CRAIPNDOSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001212145891 761199552 /nfs/dbraw/zinc/19/95/52/761199552.db2.gz CPXHDVJOFWLAHF-OWCLPIDISA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001212145891 761199554 /nfs/dbraw/zinc/19/95/54/761199554.db2.gz CPXHDVJOFWLAHF-OWCLPIDISA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cscn1 ZINC001050962054 761230217 /nfs/dbraw/zinc/23/02/17/761230217.db2.gz DOOMWOMJGTWYJY-HOTGVXAUSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cscn1 ZINC001050962054 761230222 /nfs/dbraw/zinc/23/02/22/761230222.db2.gz DOOMWOMJGTWYJY-HOTGVXAUSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1CC(=C)Cl ZINC001050962758 761230855 /nfs/dbraw/zinc/23/08/55/761230855.db2.gz QRILRBWWDKIEIX-CABCVRRESA-N 1 1 325.840 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1CC(=C)Cl ZINC001050962758 761230861 /nfs/dbraw/zinc/23/08/61/761230861.db2.gz QRILRBWWDKIEIX-CABCVRRESA-N 1 1 325.840 0.654 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001030032204 761267864 /nfs/dbraw/zinc/26/78/64/761267864.db2.gz FLCCMWMHGCYTPQ-XHSDSOJGSA-N 1 1 334.464 0.448 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1OC ZINC001212150326 761318113 /nfs/dbraw/zinc/31/81/13/761318113.db2.gz UWUVAIPLACYZKS-BHUNQDJPSA-N 1 1 349.475 0.768 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001051041832 761379190 /nfs/dbraw/zinc/37/91/90/761379190.db2.gz XKPLMKYUFCHLJQ-GJZGRUSLSA-N 1 1 347.419 0.149 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001051041832 761379197 /nfs/dbraw/zinc/37/91/97/761379197.db2.gz XKPLMKYUFCHLJQ-GJZGRUSLSA-N 1 1 347.419 0.149 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1OC ZINC001212151953 761400352 /nfs/dbraw/zinc/40/03/52/761400352.db2.gz DSHRJDXRYIQEOI-HUUCEWRRSA-N 1 1 349.456 0.246 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054543652 768036319 /nfs/dbraw/zinc/03/63/19/768036319.db2.gz PLBZHEDUSWLSLX-GVRJEKJASA-N 1 1 332.448 0.984 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725480 768040541 /nfs/dbraw/zinc/04/05/41/768040541.db2.gz FJXQJXYIBBWWLO-RDBSUJKOSA-N 1 1 331.844 0.009 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725480 768040544 /nfs/dbraw/zinc/04/05/44/768040544.db2.gz FJXQJXYIBBWWLO-RDBSUJKOSA-N 1 1 331.844 0.009 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CCOCC2)c1 ZINC001051105283 761500592 /nfs/dbraw/zinc/50/05/92/761500592.db2.gz DVEQPUQUKWTIFM-SFHVURJKSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@H+]2CC2CCOCC2)c1 ZINC001051105283 761500596 /nfs/dbraw/zinc/50/05/96/761500596.db2.gz DVEQPUQUKWTIFM-SFHVURJKSA-N 1 1 343.427 0.920 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1nc(Cl)c(C#N)s1 ZINC001105754013 761529068 /nfs/dbraw/zinc/52/90/68/761529068.db2.gz DEGILKVBHFMUBM-RKDXNWHRSA-N 1 1 343.840 0.651 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1Cl ZINC001105756400 761538118 /nfs/dbraw/zinc/53/81/18/761538118.db2.gz UNKAQRSKGDOINO-YPMHNXCESA-N 1 1 337.811 0.590 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001054572215 768045851 /nfs/dbraw/zinc/04/58/51/768045851.db2.gz MIHJOKXOXWJFQY-SMDDNHRTSA-N 1 1 327.392 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C)nn2)[C@@H]1C ZINC001051196191 761666950 /nfs/dbraw/zinc/66/69/50/761666950.db2.gz IRSALRAQQIIZMZ-PMPSAXMXSA-N 1 1 327.432 0.966 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C)nn2)[C@@H]1C ZINC001051196191 761666952 /nfs/dbraw/zinc/66/69/52/761666952.db2.gz IRSALRAQQIIZMZ-PMPSAXMXSA-N 1 1 327.432 0.966 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cn(CC)nc2C)C1 ZINC000991574501 761712831 /nfs/dbraw/zinc/71/28/31/761712831.db2.gz KFZMUIXGEGYNIH-INIZCTEOSA-N 1 1 343.431 0.250 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cn(CC)nc2C)C1 ZINC000991574501 761712835 /nfs/dbraw/zinc/71/28/35/761712835.db2.gz KFZMUIXGEGYNIH-INIZCTEOSA-N 1 1 343.431 0.250 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ncccc2C#N)C[C@@H]1O ZINC001051749105 762867882 /nfs/dbraw/zinc/86/78/82/762867882.db2.gz BOISJVRKXOYJBJ-GJZGRUSLSA-N 1 1 340.387 0.214 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001106294979 768091651 /nfs/dbraw/zinc/09/16/51/768091651.db2.gz WKLFSMOJYGTKKC-BXUZGUMPSA-N 1 1 332.408 0.294 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001106294979 768091658 /nfs/dbraw/zinc/09/16/58/768091658.db2.gz WKLFSMOJYGTKKC-BXUZGUMPSA-N 1 1 332.408 0.294 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(OCC(N)=O)cc3)CCC[C@H]12 ZINC000991715331 762910715 /nfs/dbraw/zinc/91/07/15/762910715.db2.gz YFEWQNWLGWYKRG-LPHOPBHVSA-N 1 1 341.411 0.911 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)nnn3CC)C2)C1=O ZINC001014692940 763002437 /nfs/dbraw/zinc/00/24/37/763002437.db2.gz CWJVCOUKRDSHSU-UONOGXRCSA-N 1 1 346.435 0.197 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)nnn3CC)C2)C1=O ZINC001014692940 763002442 /nfs/dbraw/zinc/00/24/42/763002442.db2.gz CWJVCOUKRDSHSU-UONOGXRCSA-N 1 1 346.435 0.197 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001014732509 763051090 /nfs/dbraw/zinc/05/10/90/763051090.db2.gz UIJVUEXFXBOUOQ-TZMCWYRMSA-N 1 1 330.388 0.283 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001014732509 763051096 /nfs/dbraw/zinc/05/10/96/763051096.db2.gz UIJVUEXFXBOUOQ-TZMCWYRMSA-N 1 1 330.388 0.283 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001046782702 763119343 /nfs/dbraw/zinc/11/93/43/763119343.db2.gz DHUAXLTYWNSPTI-QAPCUYQASA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001046782702 763119349 /nfs/dbraw/zinc/11/93/49/763119349.db2.gz DHUAXLTYWNSPTI-QAPCUYQASA-N 1 1 326.400 0.536 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(OC)c2)C1 ZINC001014768956 763122712 /nfs/dbraw/zinc/12/27/12/763122712.db2.gz GVVLOGWHUXKXMJ-IRXDYDNUSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnc(OC)c2)C1 ZINC001014768956 763122717 /nfs/dbraw/zinc/12/27/17/763122717.db2.gz GVVLOGWHUXKXMJ-IRXDYDNUSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccnc(OC)c2)C1 ZINC001014768956 763122721 /nfs/dbraw/zinc/12/27/21/763122721.db2.gz GVVLOGWHUXKXMJ-IRXDYDNUSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccnc(OC)c2)C1 ZINC001014768956 763122731 /nfs/dbraw/zinc/12/27/31/763122731.db2.gz GVVLOGWHUXKXMJ-IRXDYDNUSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ncnn2C(C)C)C1 ZINC001014769226 763124450 /nfs/dbraw/zinc/12/44/50/763124450.db2.gz JFMAJDCOGOFQIZ-CVEARBPZSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ncnn2C(C)C)C1 ZINC001014769226 763124456 /nfs/dbraw/zinc/12/44/56/763124456.db2.gz JFMAJDCOGOFQIZ-CVEARBPZSA-N 1 1 344.463 0.647 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001051867383 763153040 /nfs/dbraw/zinc/15/30/40/763153040.db2.gz IIJCMHPYCUKLGS-DZKIICNBSA-N 1 1 349.435 0.113 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3nc(CC)c[nH]3)C2)C1=O ZINC001014788318 763158400 /nfs/dbraw/zinc/15/84/00/763158400.db2.gz GBVJDGYMFRXMNK-LSDHHAIUSA-N 1 1 345.447 0.492 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3nc(CC)c[nH]3)C2)C1=O ZINC001014788318 763158405 /nfs/dbraw/zinc/15/84/05/763158405.db2.gz GBVJDGYMFRXMNK-LSDHHAIUSA-N 1 1 345.447 0.492 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000940522866 763382065 /nfs/dbraw/zinc/38/20/65/763382065.db2.gz PKAHPLGMTFYHOC-LSDHHAIUSA-N 1 1 326.400 0.345 20 30 ECEDMO C[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046931432 763410170 /nfs/dbraw/zinc/41/01/70/763410170.db2.gz UKACPJAHCBQVGI-JQWIXIFHSA-N 1 1 326.347 0.954 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001046941086 763427844 /nfs/dbraw/zinc/42/78/44/763427844.db2.gz GQPWNMOUOZABCY-GFCCVEGCSA-N 1 1 336.404 0.681 20 30 ECEDMO C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001046941086 763427846 /nfs/dbraw/zinc/42/78/46/763427846.db2.gz GQPWNMOUOZABCY-GFCCVEGCSA-N 1 1 336.404 0.681 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cn(C(C)C)nn2)C1 ZINC001030462463 763439447 /nfs/dbraw/zinc/43/94/47/763439447.db2.gz YBGGHZXZZFCYJH-INIZCTEOSA-N 1 1 330.436 0.257 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cn(C(C)C)nn2)C1 ZINC001030462463 763439453 /nfs/dbraw/zinc/43/94/53/763439453.db2.gz YBGGHZXZZFCYJH-INIZCTEOSA-N 1 1 330.436 0.257 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000995088151 763445952 /nfs/dbraw/zinc/44/59/52/763445952.db2.gz RANDBYCZPYNMLX-JYJNAYRXSA-N 1 1 335.448 0.779 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001046952503 763451045 /nfs/dbraw/zinc/45/10/45/763451045.db2.gz YWCVPTZKEXLXSQ-CHWSQXEVSA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001046952503 763451051 /nfs/dbraw/zinc/45/10/51/763451051.db2.gz YWCVPTZKEXLXSQ-CHWSQXEVSA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(C)cn3)C2)CC1 ZINC001051974026 763487813 /nfs/dbraw/zinc/48/78/13/763487813.db2.gz ADASUNSOUKSHSO-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO C=CCCC(=O)N1CC[C@](O)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001040927783 763531931 /nfs/dbraw/zinc/53/19/31/763531931.db2.gz YAKMRYZQBKORJE-SFHVURJKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001046997023 763539722 /nfs/dbraw/zinc/53/97/22/763539722.db2.gz SHGPRZBRJKPQAO-KGLIPLIRSA-N 1 1 345.390 0.493 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCC1=CCN(c2nccnc2C#N)CC1 ZINC001127690944 763543921 /nfs/dbraw/zinc/54/39/21/763543921.db2.gz WNRKINGTNJWOIM-UHFFFAOYSA-N 1 1 328.420 0.943 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)CC1 ZINC001052003795 763565516 /nfs/dbraw/zinc/56/55/16/763565516.db2.gz BQBAQCAYKZYPQI-OAHLLOKOSA-N 1 1 328.416 0.643 20 30 ECEDMO C=CCN1CC[C@H](NCCNC(=O)C(C)(C)[NH+]2CCCCC2)C1=O ZINC001127321635 768145227 /nfs/dbraw/zinc/14/52/27/768145227.db2.gz AWGPNDJVXPBWGP-HNNXBMFYSA-N 1 1 336.480 0.744 20 30 ECEDMO Cc1cc(NCCOCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c(C#N)cn1 ZINC001127320412 768145353 /nfs/dbraw/zinc/14/53/53/768145353.db2.gz VEBAAQDBPYHZRO-HNNXBMFYSA-N 1 1 345.447 0.522 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2nccnc2C#N)C1 ZINC001106004410 763598329 /nfs/dbraw/zinc/59/83/29/763598329.db2.gz QXECWTFCCQOZLJ-KBPBESRZSA-N 1 1 346.435 0.215 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052027727 763622075 /nfs/dbraw/zinc/62/20/75/763622075.db2.gz JFRHPNZCIRBCOV-HNNXBMFYSA-N 1 1 329.448 0.847 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C2)CC1 ZINC001052027579 763622248 /nfs/dbraw/zinc/62/22/48/763622248.db2.gz HPMLCHIWNBOLGZ-OAHLLOKOSA-N 1 1 344.463 0.561 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)C2)CC1 ZINC001052028185 763623516 /nfs/dbraw/zinc/62/35/16/763623516.db2.gz OPXNUODODVUVHA-CABCVRRESA-N 1 1 342.447 0.572 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)CC1 ZINC001052029817 763626188 /nfs/dbraw/zinc/62/61/88/763626188.db2.gz BZSFNSNYMPVXNV-CQSZACIVSA-N 1 1 347.467 0.446 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001047071111 763628360 /nfs/dbraw/zinc/62/83/60/763628360.db2.gz DOAKBMDMWMCKSF-RGCMKSIDSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001047071111 763628364 /nfs/dbraw/zinc/62/83/64/763628364.db2.gz DOAKBMDMWMCKSF-RGCMKSIDSA-N 1 1 344.419 0.374 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031340 763631831 /nfs/dbraw/zinc/63/18/31/763631831.db2.gz KDFSGDYVSGBLHL-SFHVURJKSA-N 1 1 343.475 0.687 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032607 763635236 /nfs/dbraw/zinc/63/52/36/763635236.db2.gz HNTYEWHWOXQPKF-SFHVURJKSA-N 1 1 341.459 0.651 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052032725 763635472 /nfs/dbraw/zinc/63/54/72/763635472.db2.gz JDQHUGUIQVVBSQ-GOSISDBHSA-N 1 1 343.475 0.513 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035303 763641946 /nfs/dbraw/zinc/64/19/46/763641946.db2.gz HIZLGOOBWCGZDD-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035303 763641948 /nfs/dbraw/zinc/64/19/48/763641948.db2.gz HIZLGOOBWCGZDD-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO N#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001052036326 763648050 /nfs/dbraw/zinc/64/80/50/763648050.db2.gz LKUXGZRVGDNAQO-CVEARBPZSA-N 1 1 342.447 0.503 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C3(F)CCOCC3)C2)CC1 ZINC001052036918 763652411 /nfs/dbraw/zinc/65/24/11/763652411.db2.gz YBXFWZXBHBJOPV-HNNXBMFYSA-N 1 1 325.428 0.910 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3c[nH]c(=O)cn3)C2)s1 ZINC001031933541 763656030 /nfs/dbraw/zinc/65/60/30/763656030.db2.gz AIEWQDRNCVDLTM-UHFFFAOYSA-N 1 1 329.385 0.565 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccncc3)C2)CC1 ZINC001052045968 763685571 /nfs/dbraw/zinc/68/55/71/763685571.db2.gz ZGLJGTAZPBGBAF-KRWDZBQOSA-N 1 1 327.432 0.756 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045959 763685600 /nfs/dbraw/zinc/68/56/00/763685600.db2.gz YTNVWSFVASTPKK-QGZVFWFLSA-N 1 1 347.438 0.708 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnnc3C)C2)CC1 ZINC001052046723 763688307 /nfs/dbraw/zinc/68/83/07/763688307.db2.gz CVVNTAUQZKDITN-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3coc(OCC)n3)C2)CC1 ZINC001052047021 763688761 /nfs/dbraw/zinc/68/87/61/763688761.db2.gz GZLMSWDCFXHCAZ-OAHLLOKOSA-N 1 1 346.431 0.929 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054673798 768153688 /nfs/dbraw/zinc/15/36/88/768153688.db2.gz AZBACOPQKLZBFI-ZIAGYGMSSA-N 1 1 342.447 0.761 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cccnc3)C2)CC1 ZINC001052047485 763691077 /nfs/dbraw/zinc/69/10/77/763691077.db2.gz OKAUUKLJXBWNKO-SFHVURJKSA-N 1 1 326.444 0.866 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC001052048176 763695148 /nfs/dbraw/zinc/69/51/48/763695148.db2.gz NFJPXBAQRNKWIM-AWEZNQCLSA-N 1 1 329.448 0.917 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(C)c3CC)C2)CC1 ZINC001052048574 763698210 /nfs/dbraw/zinc/69/82/10/763698210.db2.gz XWAGSZNCQAWNOA-OAHLLOKOSA-N 1 1 329.448 0.448 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)CC1 ZINC001052052102 763714011 /nfs/dbraw/zinc/71/40/11/763714011.db2.gz IJGCQFNXWMWKSH-CQSZACIVSA-N 1 1 346.431 0.402 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccnc(C)n3)C2)CC1 ZINC001052053691 763720013 /nfs/dbraw/zinc/72/00/13/763720013.db2.gz PTUVJFIGUVJBSZ-GOSISDBHSA-N 1 1 341.459 0.569 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCC(=O)NC1 ZINC001015041796 763733078 /nfs/dbraw/zinc/73/30/78/763733078.db2.gz GIYNIGFKDQGHLP-DOTOQJQBSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCC(=O)NC1 ZINC001015041796 763733082 /nfs/dbraw/zinc/73/30/82/763733082.db2.gz GIYNIGFKDQGHLP-DOTOQJQBSA-N 1 1 343.402 0.894 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3nccn3C)C2)CC1 ZINC001052058544 763734334 /nfs/dbraw/zinc/73/43/34/763734334.db2.gz YCDKFANMWYHCAD-INIZCTEOSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccccn3)C2)CC1 ZINC001052060820 763741862 /nfs/dbraw/zinc/74/18/62/763741862.db2.gz NFTATEYPNWZJJT-SFHVURJKSA-N 1 1 326.444 0.866 20 30 ECEDMO COc1cccnc1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052069194 763765022 /nfs/dbraw/zinc/76/50/22/763765022.db2.gz SNXQXJZSIZRMAV-OAHLLOKOSA-N 1 1 343.431 0.375 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3cncnc3)C2)CC1 ZINC001052070015 763767251 /nfs/dbraw/zinc/76/72/51/763767251.db2.gz ATEOTKWRPHDNJR-DOTOQJQBSA-N 1 1 329.448 0.985 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3cncnc3)C2)CC1 ZINC001052070015 763767257 /nfs/dbraw/zinc/76/72/57/763767257.db2.gz ATEOTKWRPHDNJR-DOTOQJQBSA-N 1 1 329.448 0.985 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](N3CC[NH+](CC=C)CC3)C2)nn1 ZINC001052093605 763838379 /nfs/dbraw/zinc/83/83/79/763838379.db2.gz RPRSOORWCMQNLD-OAHLLOKOSA-N 1 1 330.436 0.482 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4nncn4c3)C2)CC1 ZINC001052098665 763854700 /nfs/dbraw/zinc/85/47/00/763854700.db2.gz MYQZDAOQTWUXRH-MRXNPFEDSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccn4ccnc34)C2)CC1 ZINC001052098933 763855477 /nfs/dbraw/zinc/85/54/77/763855477.db2.gz RDRHMBQESBANOE-INIZCTEOSA-N 1 1 337.427 0.800 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)COc3cccnc3)C2)CC1 ZINC001052099280 763857548 /nfs/dbraw/zinc/85/75/48/763857548.db2.gz XRUBPTVWJQMZJK-KRWDZBQOSA-N 1 1 342.443 0.702 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)CC1 ZINC001052101955 763865018 /nfs/dbraw/zinc/86/50/18/763865018.db2.gz BBNQPYFLNZWSRR-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052104938 763873874 /nfs/dbraw/zinc/87/38/74/763873874.db2.gz BOVORJCTPSQAHH-MRXNPFEDSA-N 1 1 328.420 0.151 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)Cn2c[nH+]cc2C)n1 ZINC001106026730 763875233 /nfs/dbraw/zinc/87/52/33/763875233.db2.gz QBYVXKNPXTZEKW-CYBMUJFWSA-N 1 1 343.391 0.005 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)COc3ccsc3)C2)CC1 ZINC001052108272 763890174 /nfs/dbraw/zinc/89/01/74/763890174.db2.gz LSDUFQSIABWQGR-HNNXBMFYSA-N 1 1 333.457 0.979 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2cc(C)ncc2C#N)C1 ZINC001106345064 768173577 /nfs/dbraw/zinc/17/35/77/768173577.db2.gz VPWAIHOGHNCYLW-SUMWQHHRSA-N 1 1 345.447 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2cc(C)ncc2C#N)C1 ZINC001106345064 768173583 /nfs/dbraw/zinc/17/35/83/768173583.db2.gz VPWAIHOGHNCYLW-SUMWQHHRSA-N 1 1 345.447 0.711 20 30 ECEDMO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047295631 763911844 /nfs/dbraw/zinc/91/18/44/763911844.db2.gz PFELDRRZWDQGKL-ULQDDVLXSA-N 1 1 329.400 0.741 20 30 ECEDMO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047295631 763911849 /nfs/dbraw/zinc/91/18/49/763911849.db2.gz PFELDRRZWDQGKL-ULQDDVLXSA-N 1 1 329.400 0.741 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C#N ZINC001031981365 763949229 /nfs/dbraw/zinc/94/92/29/763949229.db2.gz ADFJSJCACXREKM-CABCVRRESA-N 1 1 342.399 0.236 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001047310336 763952107 /nfs/dbraw/zinc/95/21/07/763952107.db2.gz QHFLNELOSMLOTG-MELADBBJSA-N 1 1 328.420 0.419 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C2)CC1 ZINC001052131522 763962916 /nfs/dbraw/zinc/96/29/16/763962916.db2.gz SHLSPZJKUGKILB-CVEARBPZSA-N 1 1 332.448 0.545 20 30 ECEDMO CN(C(=O)Cc1ccn[nH]1)[C@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001047331828 764027621 /nfs/dbraw/zinc/02/76/21/764027621.db2.gz KKWBEZUQBNCJGT-ROUUACIJSA-N 1 1 338.411 0.507 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC=CC3)C2)C1=O ZINC001047332156 764029610 /nfs/dbraw/zinc/02/96/10/764029610.db2.gz PPOMLXJDCUXPNE-PMPSAXMXSA-N 1 1 333.432 0.243 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC=CC3)C2)C1=O ZINC001047332156 764029618 /nfs/dbraw/zinc/02/96/18/764029618.db2.gz PPOMLXJDCUXPNE-PMPSAXMXSA-N 1 1 333.432 0.243 20 30 ECEDMO Cc1nc(C)c(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001047338427 764047513 /nfs/dbraw/zinc/04/75/13/764047513.db2.gz XKFXQXYGYCGDPA-GJZGRUSLSA-N 1 1 343.387 0.809 20 30 ECEDMO Cc1nc(C)c(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001047338427 764047521 /nfs/dbraw/zinc/04/75/21/764047521.db2.gz XKFXQXYGYCGDPA-GJZGRUSLSA-N 1 1 343.387 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c(C)cnn2C)C1 ZINC000942200531 764072230 /nfs/dbraw/zinc/07/22/30/764072230.db2.gz APLSAGLAUFMSQN-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c(C)cnn2C)C1 ZINC000942200531 764072239 /nfs/dbraw/zinc/07/22/39/764072239.db2.gz APLSAGLAUFMSQN-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(c3nccnc3C#N)C[C@@]2(C)C1 ZINC001052233599 764104697 /nfs/dbraw/zinc/10/46/97/764104697.db2.gz FABPTDJALAEGHS-XUWXXGDYSA-N 1 1 340.431 0.727 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)nn1 ZINC001098784694 768189974 /nfs/dbraw/zinc/18/99/74/768189974.db2.gz JJFSOUKPQUQCSI-HIFRSBDPSA-N 1 1 346.435 0.196 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001047379984 764168458 /nfs/dbraw/zinc/16/84/58/764168458.db2.gz UGGCIQGARMWVBP-COXVUDFISA-N 1 1 348.447 0.539 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001047379984 764168464 /nfs/dbraw/zinc/16/84/64/764168464.db2.gz UGGCIQGARMWVBP-COXVUDFISA-N 1 1 348.447 0.539 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001106975827 764184218 /nfs/dbraw/zinc/18/42/18/764184218.db2.gz HHKCVQYYKFNCNO-NVXWUHKLSA-N 1 1 343.431 0.499 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001106976170 764184281 /nfs/dbraw/zinc/18/42/81/764184281.db2.gz WACCJDDTKJBQKW-LSDHHAIUSA-N 1 1 344.419 0.472 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001106976167 764185935 /nfs/dbraw/zinc/18/59/35/764185935.db2.gz WACCJDDTKJBQKW-CABCVRRESA-N 1 1 344.419 0.472 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC001052290171 764200164 /nfs/dbraw/zinc/20/01/64/764200164.db2.gz LYEHOWCEKBBHDW-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)c1 ZINC001052289086 764200939 /nfs/dbraw/zinc/20/09/39/764200939.db2.gz SISJHFOUTCKGHX-CYBMUJFWSA-N 1 1 329.404 0.749 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001047396993 764209257 /nfs/dbraw/zinc/20/92/57/764209257.db2.gz IRFLGJQQOCWEDF-KBPBESRZSA-N 1 1 342.399 0.712 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001047396993 764209261 /nfs/dbraw/zinc/20/92/61/764209261.db2.gz IRFLGJQQOCWEDF-KBPBESRZSA-N 1 1 342.399 0.712 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001047397624 764212250 /nfs/dbraw/zinc/21/22/50/764212250.db2.gz AWYFTPVOVZKNEQ-HOTGVXAUSA-N 1 1 340.379 0.933 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001047397624 764212257 /nfs/dbraw/zinc/21/22/57/764212257.db2.gz AWYFTPVOVZKNEQ-HOTGVXAUSA-N 1 1 340.379 0.933 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)n[nH]2)C1 ZINC001047398535 764217357 /nfs/dbraw/zinc/21/73/57/764217357.db2.gz SVYJWVRQEWFCRS-QWRGUYRKSA-N 1 1 343.225 0.865 20 30 ECEDMO C=CCn1cc(C(=O)NCC2C[NH+]([C@H]3CCN(C(C)C)C3=O)C2)nn1 ZINC001032034955 764225718 /nfs/dbraw/zinc/22/57/18/764225718.db2.gz JMVLKQBUEOBSGV-HNNXBMFYSA-N 1 1 346.435 0.135 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)CC2)c[nH]1 ZINC001052319154 764242324 /nfs/dbraw/zinc/24/23/24/764242324.db2.gz TXCJSNVBOYSAOV-CQSZACIVSA-N 1 1 327.392 0.762 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)[nH]1 ZINC001052319638 764243872 /nfs/dbraw/zinc/24/38/72/764243872.db2.gz HWFXRZXKFAHOCY-IUODEOHRSA-N 1 1 329.404 0.749 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3cccnc3s2)C1 ZINC001047410527 764260350 /nfs/dbraw/zinc/26/03/50/764260350.db2.gz MOYMMPSYZYKOJV-STQMWFEESA-N 1 1 330.413 0.832 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3cccnc3s2)C1 ZINC001047410527 764260356 /nfs/dbraw/zinc/26/03/56/764260356.db2.gz MOYMMPSYZYKOJV-STQMWFEESA-N 1 1 330.413 0.832 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C(F)F)C1 ZINC001047412529 764264045 /nfs/dbraw/zinc/26/40/45/764264045.db2.gz WVYIRNCLAQSOIG-RYUDHWBXSA-N 1 1 326.347 0.498 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC001032047146 764294290 /nfs/dbraw/zinc/29/42/90/764294290.db2.gz BDJUFPUETSRUHD-JYJNAYRXSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001015288942 764313261 /nfs/dbraw/zinc/31/32/61/764313261.db2.gz HNLQKOUZBHRUEZ-CQSZACIVSA-N 1 1 329.466 0.569 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001047428760 764318116 /nfs/dbraw/zinc/31/81/16/764318116.db2.gz NSYGWFVLSZLAAS-FXUDXRNXSA-N 1 1 325.453 0.175 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001047435311 764337191 /nfs/dbraw/zinc/33/71/91/764337191.db2.gz IVVIZHDIXSZKPY-JYJNAYRXSA-N 1 1 332.448 0.915 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnnc3)[C@H]2C)C1=O ZINC001088879048 764339776 /nfs/dbraw/zinc/33/97/76/764339776.db2.gz DHJHIFHPTFOMEU-SNPRPXQTSA-N 1 1 329.404 0.456 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnnc3)[C@H]2C)C1=O ZINC001088879048 764339780 /nfs/dbraw/zinc/33/97/80/764339780.db2.gz DHJHIFHPTFOMEU-SNPRPXQTSA-N 1 1 329.404 0.456 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CN(C)C)on2)C1 ZINC001047437575 764341685 /nfs/dbraw/zinc/34/16/85/764341685.db2.gz VRPDTLPJPIRILR-HOTGVXAUSA-N 1 1 336.436 0.820 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052378275 764365120 /nfs/dbraw/zinc/36/51/20/764365120.db2.gz GLAJBVQTSCBJPJ-KGLIPLIRSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052378276 764365375 /nfs/dbraw/zinc/36/53/75/764365375.db2.gz GLAJBVQTSCBJPJ-UONOGXRCSA-N 1 1 329.404 0.367 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052379764 764370194 /nfs/dbraw/zinc/37/01/94/764370194.db2.gz RJRZXNJZWHSUDI-KGLIPLIRSA-N 1 1 331.420 0.919 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)c[nH]2)C1 ZINC001047447503 764375714 /nfs/dbraw/zinc/37/57/14/764375714.db2.gz WGYHLLPIEWGEBL-STQMWFEESA-N 1 1 340.221 0.918 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001047461261 764415704 /nfs/dbraw/zinc/41/57/04/764415704.db2.gz ZMNABSOGQDXOGW-STQMWFEESA-N 1 1 329.356 0.674 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001047479735 764467468 /nfs/dbraw/zinc/46/74/68/764467468.db2.gz YZWCRYVEMKUGPI-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CNC(=O)C1 ZINC001015378229 764478618 /nfs/dbraw/zinc/47/86/18/764478618.db2.gz VEKPFMFRRFNODX-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CNC(=O)C1 ZINC001015378229 764478623 /nfs/dbraw/zinc/47/86/23/764478623.db2.gz VEKPFMFRRFNODX-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC001052439009 764497438 /nfs/dbraw/zinc/49/74/38/764497438.db2.gz GGZDSUQRLFYWFC-HUUCEWRRSA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC001052439009 764497445 /nfs/dbraw/zinc/49/74/45/764497445.db2.gz GGZDSUQRLFYWFC-HUUCEWRRSA-N 1 1 326.462 0.948 20 30 ECEDMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047492613 764499611 /nfs/dbraw/zinc/49/96/11/764499611.db2.gz RCBBESQKFLVRBR-FLXSYLCISA-N 1 1 341.411 0.454 20 30 ECEDMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047492613 764499617 /nfs/dbraw/zinc/49/96/17/764499617.db2.gz RCBBESQKFLVRBR-FLXSYLCISA-N 1 1 341.411 0.454 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC001052456014 764535596 /nfs/dbraw/zinc/53/55/96/764535596.db2.gz AVEYVIGBYNPLTD-RDJZCZTQSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cnnn2C)CC1 ZINC001052456014 764535601 /nfs/dbraw/zinc/53/56/01/764535601.db2.gz AVEYVIGBYNPLTD-RDJZCZTQSA-N 1 1 344.463 0.383 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2O)CC1 ZINC001047512943 764556945 /nfs/dbraw/zinc/55/69/45/764556945.db2.gz YRUUYKCMQIEFML-ULQDDVLXSA-N 1 1 349.475 0.857 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2O)CC1 ZINC001047512943 764556951 /nfs/dbraw/zinc/55/69/51/764556951.db2.gz YRUUYKCMQIEFML-ULQDDVLXSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC(=O)NCC3CC3)C2)nn1 ZINC001098766833 764572255 /nfs/dbraw/zinc/57/22/55/764572255.db2.gz HFXNFGPNXWRNMH-OAHLLOKOSA-N 1 1 346.435 0.243 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)c1 ZINC001047520861 764578179 /nfs/dbraw/zinc/57/81/79/764578179.db2.gz FOCNMGSPTPVORN-PVAVHDDUSA-N 1 1 329.400 0.217 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nnc3c2CCCC3)C1 ZINC001047529396 764607522 /nfs/dbraw/zinc/60/75/22/764607522.db2.gz ASQSXWXYWREZQO-HOTGVXAUSA-N 1 1 333.436 0.237 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001047544525 764649102 /nfs/dbraw/zinc/64/91/02/764649102.db2.gz BYJVTMOAKZCXCR-IRXDYDNUSA-N 1 1 329.375 0.986 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001047544525 764649109 /nfs/dbraw/zinc/64/91/09/764649109.db2.gz BYJVTMOAKZCXCR-IRXDYDNUSA-N 1 1 329.375 0.986 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001047548997 764662864 /nfs/dbraw/zinc/66/28/64/764662864.db2.gz LVMLEDUXEAOTPC-ROUUACIJSA-N 1 1 325.412 0.813 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001047548997 764662869 /nfs/dbraw/zinc/66/28/69/764662869.db2.gz LVMLEDUXEAOTPC-ROUUACIJSA-N 1 1 325.412 0.813 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnccc1=O ZINC001089883537 764663213 /nfs/dbraw/zinc/66/32/13/764663213.db2.gz NONQFXDYBRMXJE-NXOAAHMSSA-N 1 1 342.443 0.988 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001047556974 764686315 /nfs/dbraw/zinc/68/63/15/764686315.db2.gz YMOVRHHTZMXWGT-JYJNAYRXSA-N 1 1 335.448 0.467 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c(CCC)c2)C1 ZINC001047557211 764687098 /nfs/dbraw/zinc/68/70/98/764687098.db2.gz ITAJEMVQPIWAFH-HOTGVXAUSA-N 1 1 331.416 0.880 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c(CCC)c2)C1 ZINC001047557211 764687103 /nfs/dbraw/zinc/68/71/03/764687103.db2.gz ITAJEMVQPIWAFH-HOTGVXAUSA-N 1 1 331.416 0.880 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001047565048 764705433 /nfs/dbraw/zinc/70/54/33/764705433.db2.gz FQUDRXGJZODCNZ-HOTGVXAUSA-N 1 1 330.432 0.985 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001047565048 764705438 /nfs/dbraw/zinc/70/54/38/764705438.db2.gz FQUDRXGJZODCNZ-HOTGVXAUSA-N 1 1 330.432 0.985 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001052544789 764727191 /nfs/dbraw/zinc/72/71/91/764727191.db2.gz SRWSFQXAJNTLAR-OAHLLOKOSA-N 1 1 346.431 0.497 20 30 ECEDMO CN(C(=O)c1cccnn1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047574458 764741424 /nfs/dbraw/zinc/74/14/24/764741424.db2.gz OAIXXCUKDROJOQ-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)c1cccnn1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047574458 764741433 /nfs/dbraw/zinc/74/14/33/764741433.db2.gz OAIXXCUKDROJOQ-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)[C@]1(C)CCOC1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047576573 764747897 /nfs/dbraw/zinc/74/78/97/764747897.db2.gz OHCKQGKHLSXBAZ-JENIJYKNSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)[C@]1(C)CCOC1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047576573 764747902 /nfs/dbraw/zinc/74/79/02/764747902.db2.gz OHCKQGKHLSXBAZ-JENIJYKNSA-N 1 1 343.427 0.988 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC001032134785 764782495 /nfs/dbraw/zinc/78/24/95/764782495.db2.gz BMARRJLMLHGEOS-MRXNPFEDSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001047585708 764782681 /nfs/dbraw/zinc/78/26/81/764782681.db2.gz IDZMOAGTBRYHSX-GJZGRUSLSA-N 1 1 325.372 0.222 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001032137805 764790221 /nfs/dbraw/zinc/79/02/21/764790221.db2.gz ZKZRZYQLFNDPGG-MRXNPFEDSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc[nH]c3C2)C1 ZINC001047589356 764794814 /nfs/dbraw/zinc/79/48/14/764794814.db2.gz FQRXOODKPSUYJO-JQFCIGGWSA-N 1 1 332.448 0.984 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC001047589356 764794820 /nfs/dbraw/zinc/79/48/20/764794820.db2.gz FQRXOODKPSUYJO-JQFCIGGWSA-N 1 1 332.448 0.984 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC001047589356 764794825 /nfs/dbraw/zinc/79/48/25/764794825.db2.gz FQRXOODKPSUYJO-JQFCIGGWSA-N 1 1 332.448 0.984 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ncccc3OC)C2)C1=O ZINC001032152569 764814167 /nfs/dbraw/zinc/81/41/67/764814167.db2.gz ZWVLQRCUPQPKGA-AWEZNQCLSA-N 1 1 344.415 0.539 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)nnc2C)C1 ZINC000991940245 764816754 /nfs/dbraw/zinc/81/67/54/764816754.db2.gz YDPUNJSFLGFBBF-INIZCTEOSA-N 1 1 341.415 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)nnc2C)C1 ZINC000991940245 764816761 /nfs/dbraw/zinc/81/67/61/764816761.db2.gz YDPUNJSFLGFBBF-INIZCTEOSA-N 1 1 341.415 0.132 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001052597730 764824390 /nfs/dbraw/zinc/82/43/90/764824390.db2.gz AHYSZVUNOGPSIR-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ccc(C)nc23)C1 ZINC001047599487 764838550 /nfs/dbraw/zinc/83/85/50/764838550.db2.gz WFADMEJZFNWNMC-GJZGRUSLSA-N 1 1 329.404 0.731 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)NC1=O ZINC001015513576 764847352 /nfs/dbraw/zinc/84/73/52/764847352.db2.gz GYEPWSYJOOTILL-HIFRSBDPSA-N 1 1 345.378 0.411 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)NC1=O ZINC001015513576 764847359 /nfs/dbraw/zinc/84/73/59/764847359.db2.gz GYEPWSYJOOTILL-HIFRSBDPSA-N 1 1 345.378 0.411 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001047602825 764850093 /nfs/dbraw/zinc/85/00/93/764850093.db2.gz HKWUCOPMWUTQTP-ROUUACIJSA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001047602825 764850101 /nfs/dbraw/zinc/85/01/01/764850101.db2.gz HKWUCOPMWUTQTP-ROUUACIJSA-N 1 1 343.427 0.714 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3[nH]nnc3C)CC2)C1=O ZINC001052618206 764858826 /nfs/dbraw/zinc/85/88/26/764858826.db2.gz SDRVTGHEZUODSR-KGLIPLIRSA-N 1 1 346.435 0.484 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CC(=O)N(C)C1=O ZINC001089888408 764870534 /nfs/dbraw/zinc/87/05/34/764870534.db2.gz FYBIVTKJPWINKQ-XGUBFFRZSA-N 1 1 346.431 0.235 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)ccc2OC)C1 ZINC001047621220 764905620 /nfs/dbraw/zinc/90/56/20/764905620.db2.gz JBOBVVYOBUEIGJ-HOTGVXAUSA-N 1 1 332.400 0.844 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)ccc2OC)C1 ZINC001047621220 764905627 /nfs/dbraw/zinc/90/56/27/764905627.db2.gz JBOBVVYOBUEIGJ-HOTGVXAUSA-N 1 1 332.400 0.844 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001047623992 764912707 /nfs/dbraw/zinc/91/27/07/764912707.db2.gz ZWJSQELPDZPAGJ-GJZGRUSLSA-N 1 1 334.420 0.421 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)NC(=O)COC ZINC001099093073 764915430 /nfs/dbraw/zinc/91/54/30/764915430.db2.gz LTKNJANMHDGBMI-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@@H](CNC(=O)CSCC#N)C1 ZINC001052642073 764919859 /nfs/dbraw/zinc/91/98/59/764919859.db2.gz OWKXGWPQVZZUSZ-JSGCOSHPSA-N 1 1 349.460 0.659 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1=O ZINC001015544261 764920018 /nfs/dbraw/zinc/92/00/18/764920018.db2.gz DMSCSWYUZZXCMM-BXUZGUMPSA-N 1 1 332.429 0.789 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1=O ZINC001015544261 764920022 /nfs/dbraw/zinc/92/00/22/764920022.db2.gz DMSCSWYUZZXCMM-BXUZGUMPSA-N 1 1 332.429 0.789 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001047628586 764930424 /nfs/dbraw/zinc/93/04/24/764930424.db2.gz HESGHZDEWZTMDZ-GJZGRUSLSA-N 1 1 327.388 0.407 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001047628586 764930431 /nfs/dbraw/zinc/93/04/31/764930431.db2.gz HESGHZDEWZTMDZ-GJZGRUSLSA-N 1 1 327.388 0.407 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)CC2)c1 ZINC001052692815 764998751 /nfs/dbraw/zinc/99/87/51/764998751.db2.gz BEFUEMPDCKPHIU-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)CC2)c1 ZINC001052692815 764998756 /nfs/dbraw/zinc/99/87/56/764998756.db2.gz BEFUEMPDCKPHIU-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)nc[nH]c3=O)C2)C1=O ZINC001015586489 765004927 /nfs/dbraw/zinc/00/49/27/765004927.db2.gz IDAKGPZIIZNFMO-OLZOCXBDSA-N 1 1 345.403 0.082 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)nc[nH]c3=O)C2)C1=O ZINC001015586489 765004935 /nfs/dbraw/zinc/00/49/35/765004935.db2.gz IDAKGPZIIZNFMO-OLZOCXBDSA-N 1 1 345.403 0.082 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC001052706803 765019126 /nfs/dbraw/zinc/01/91/26/765019126.db2.gz XETZFIJITAFWNG-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001052730608 765050438 /nfs/dbraw/zinc/05/04/38/765050438.db2.gz BETCNDZKRCRBDV-GJZGRUSLSA-N 1 1 330.436 0.620 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3ncccc3F)C2)C1=O ZINC001015615938 765070210 /nfs/dbraw/zinc/07/02/10/765070210.db2.gz NYSWDENUQMTNPJ-CZUORRHYSA-N 1 1 346.406 0.741 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3ncccc3F)C2)C1=O ZINC001015615938 765070217 /nfs/dbraw/zinc/07/02/17/765070217.db2.gz NYSWDENUQMTNPJ-CZUORRHYSA-N 1 1 346.406 0.741 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)nn1 ZINC001052774703 765095675 /nfs/dbraw/zinc/09/56/75/765095675.db2.gz HGHGKKMGJWBYIY-OCCSQVGLSA-N 1 1 334.424 0.312 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1F ZINC001015633605 765106685 /nfs/dbraw/zinc/10/66/85/765106685.db2.gz IMEGLASHBSVZIW-TZMCWYRMSA-N 1 1 331.351 0.069 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1F ZINC001015633605 765106687 /nfs/dbraw/zinc/10/66/87/765106687.db2.gz IMEGLASHBSVZIW-TZMCWYRMSA-N 1 1 331.351 0.069 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001099102978 765106919 /nfs/dbraw/zinc/10/69/19/765106919.db2.gz SPVURYGIFAJMTI-CYBMUJFWSA-N 1 1 329.466 0.166 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001060418061 765115485 /nfs/dbraw/zinc/11/54/85/765115485.db2.gz VMFFIDBTQSRFAZ-XVTHAXPKSA-N 1 1 340.431 0.772 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](O)CN3CCCC3=O)C2)CC1 ZINC001015659463 765134564 /nfs/dbraw/zinc/13/45/64/765134564.db2.gz BDBXNGJZSBURQK-SJORKVTESA-N 1 1 349.475 0.907 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001015659676 765134766 /nfs/dbraw/zinc/13/47/66/765134766.db2.gz HPFOEPXKRQPMJO-CQSZACIVSA-N 1 1 334.420 0.475 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cc3C)C2)C1=O ZINC001015681155 765153970 /nfs/dbraw/zinc/15/39/70/765153970.db2.gz OXQDUEFJNZFCGU-HIFRSBDPSA-N 1 1 344.415 0.687 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cc3C)C2)C1=O ZINC001015681155 765153976 /nfs/dbraw/zinc/15/39/76/765153976.db2.gz OXQDUEFJNZFCGU-HIFRSBDPSA-N 1 1 344.415 0.687 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccncn3)CC2)C1=O ZINC001052804709 765154653 /nfs/dbraw/zinc/15/46/53/765154653.db2.gz AQYXDLODJVNQAR-HOCLYGCPSA-N 1 1 343.431 0.848 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001052824950 765185891 /nfs/dbraw/zinc/18/58/91/765185891.db2.gz SVFMKIHXEGIDKQ-BMFZPTHFSA-N 1 1 343.431 0.472 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001052824950 765185892 /nfs/dbraw/zinc/18/58/92/765185892.db2.gz SVFMKIHXEGIDKQ-BMFZPTHFSA-N 1 1 343.431 0.472 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC001052843504 765214624 /nfs/dbraw/zinc/21/46/24/765214624.db2.gz MVGCHKJUDRGEDB-ZDUSSCGKSA-N 1 1 336.436 0.864 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001015721388 765238540 /nfs/dbraw/zinc/23/85/40/765238540.db2.gz HXQSCSGUNKJRHF-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001015721388 765238548 /nfs/dbraw/zinc/23/85/48/765238548.db2.gz HXQSCSGUNKJRHF-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3nc(C)n(-c4nc[nH]n4)n3)CCC[C@@H]12 ZINC000992071105 765364474 /nfs/dbraw/zinc/36/44/74/765364474.db2.gz LTBVWEASWJICSA-WBMJQRKESA-N 1 1 340.391 0.054 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001015828441 765391169 /nfs/dbraw/zinc/39/11/69/765391169.db2.gz HLDSGAFHOTYYHW-VYDXJSESSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001015828441 765391173 /nfs/dbraw/zinc/39/11/73/765391173.db2.gz HLDSGAFHOTYYHW-VYDXJSESSA-N 1 1 335.448 0.781 20 30 ECEDMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015835617 765406686 /nfs/dbraw/zinc/40/66/86/765406686.db2.gz YKHPQBUWGFOLLE-IAGOWNOFSA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015835617 765406696 /nfs/dbraw/zinc/40/66/96/765406696.db2.gz YKHPQBUWGFOLLE-IAGOWNOFSA-N 1 1 325.412 0.897 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC001052959315 765415193 /nfs/dbraw/zinc/41/51/93/765415193.db2.gz UNNFLQBPRXSKOZ-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3ccnc3)CC2)C1=O ZINC001052970853 765433619 /nfs/dbraw/zinc/43/36/19/765433619.db2.gz ZVKPMSMYQMDWFO-HOTGVXAUSA-N 1 1 345.447 0.641 20 30 ECEDMO Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)nn1 ZINC001052990322 765468720 /nfs/dbraw/zinc/46/87/20/765468720.db2.gz WAHAOBDYENZYEN-GASCZTMLSA-N 1 1 343.435 0.092 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001053027867 765501213 /nfs/dbraw/zinc/50/12/13/765501213.db2.gz IMHURLGAZWZWDQ-IRXDYDNUSA-N 1 1 347.459 0.429 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001053051424 765528176 /nfs/dbraw/zinc/52/81/76/765528176.db2.gz MNXMFWIYCCQZTQ-CABCVRRESA-N 1 1 348.447 0.675 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cnnn2)C1 ZINC001053069291 765543327 /nfs/dbraw/zinc/54/33/27/765543327.db2.gz ZDTNJULVSFWXTG-CVEARBPZSA-N 1 1 330.436 0.790 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]2O)cc1 ZINC001077493684 765584402 /nfs/dbraw/zinc/58/44/02/765584402.db2.gz GFZNBDHGFFIQNN-IXDOHACOSA-N 1 1 341.411 0.064 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]2O)cc1 ZINC001077493684 765584405 /nfs/dbraw/zinc/58/44/05/765584405.db2.gz GFZNBDHGFFIQNN-IXDOHACOSA-N 1 1 341.411 0.064 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001053110081 765591839 /nfs/dbraw/zinc/59/18/39/765591839.db2.gz YFAMSGCWIPSLMR-HZPDHXFCSA-N 1 1 337.464 0.579 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)c1 ZINC000992142066 765636630 /nfs/dbraw/zinc/63/66/30/765636630.db2.gz JRVMQEMKZLPAGB-WMLDXEAASA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)c1 ZINC000992142066 765636632 /nfs/dbraw/zinc/63/66/32/765636632.db2.gz JRVMQEMKZLPAGB-WMLDXEAASA-N 1 1 330.363 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001015978551 765657160 /nfs/dbraw/zinc/65/71/60/765657160.db2.gz WFUHEJLIOFGGBG-VYDXJSESSA-N 1 1 344.459 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001015978551 765657162 /nfs/dbraw/zinc/65/71/62/765657162.db2.gz WFUHEJLIOFGGBG-VYDXJSESSA-N 1 1 344.459 0.987 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)nc1 ZINC001016026748 765730183 /nfs/dbraw/zinc/73/01/83/765730183.db2.gz IOIRKEXLBSARSO-HZPDHXFCSA-N 1 1 340.427 0.783 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc1 ZINC001016027152 765731095 /nfs/dbraw/zinc/73/10/95/765731095.db2.gz NIJGXXQPFNKCSQ-HOCLYGCPSA-N 1 1 342.399 0.558 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc1C#N ZINC001016029711 765731922 /nfs/dbraw/zinc/73/19/22/765731922.db2.gz FXIGHPOAWWWQLH-CABCVRRESA-N 1 1 342.399 0.536 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc1C#N ZINC001016029711 765731923 /nfs/dbraw/zinc/73/19/23/765731923.db2.gz FXIGHPOAWWWQLH-CABCVRRESA-N 1 1 342.399 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001016032489 765733977 /nfs/dbraw/zinc/73/39/77/765733977.db2.gz ASBKPKVZWGMCQV-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001016032489 765733979 /nfs/dbraw/zinc/73/39/79/765733979.db2.gz ASBKPKVZWGMCQV-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc[nH]c2)C1 ZINC000992183907 765805906 /nfs/dbraw/zinc/80/59/06/765805906.db2.gz ZDAIDDDYLVEDAW-BCLQGDPASA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc[nH]c2)C1 ZINC000992183907 765805912 /nfs/dbraw/zinc/80/59/12/765805912.db2.gz ZDAIDDDYLVEDAW-BCLQGDPASA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2nonc2C)C1 ZINC000992206539 765896086 /nfs/dbraw/zinc/89/60/86/765896086.db2.gz JIEXITPCGMRNAT-RUXDESIVSA-N 1 1 345.403 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2nonc2C)C1 ZINC000992206539 765896090 /nfs/dbraw/zinc/89/60/90/765896090.db2.gz JIEXITPCGMRNAT-RUXDESIVSA-N 1 1 345.403 0.100 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2 ZINC001053302988 765937803 /nfs/dbraw/zinc/93/78/03/765937803.db2.gz GOKLUOIPOOHFPX-UHFFFAOYSA-N 1 1 346.431 0.880 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001030845089 766011111 /nfs/dbraw/zinc/01/11/11/766011111.db2.gz WHXSGKDCAFXAMX-OFQRWUPVSA-N 1 1 334.464 0.304 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H](OC)[C@@H]1CCOC1)CCO2 ZINC001053356965 766024937 /nfs/dbraw/zinc/02/49/37/766024937.db2.gz QRNUQAUYLQSVLW-HZPDHXFCSA-N 1 1 338.448 0.917 20 30 ECEDMO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001106467503 768345245 /nfs/dbraw/zinc/34/52/45/768345245.db2.gz VFEQYZQTDNVHDO-CHWSQXEVSA-N 1 1 339.403 0.851 20 30 ECEDMO C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)CCO2 ZINC001053393330 766073983 /nfs/dbraw/zinc/07/39/83/766073983.db2.gz LEZLTKRWCDAGSI-MRXNPFEDSA-N 1 1 337.464 0.585 20 30 ECEDMO C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CCO2 ZINC001053393330 766073987 /nfs/dbraw/zinc/07/39/87/766073987.db2.gz LEZLTKRWCDAGSI-MRXNPFEDSA-N 1 1 337.464 0.585 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)[C@@H](O)C1 ZINC001083684479 766091502 /nfs/dbraw/zinc/09/15/02/766091502.db2.gz YGNDSHVQJVFXNQ-BMFZPTHFSA-N 1 1 329.400 0.850 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)[C@@H](O)C1 ZINC001083684480 766091780 /nfs/dbraw/zinc/09/17/80/766091780.db2.gz YGNDSHVQJVFXNQ-IMJJTQAJSA-N 1 1 329.400 0.850 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCOC3(CN(CC#N)C3)C1)C2 ZINC001053429061 766116909 /nfs/dbraw/zinc/11/69/09/766116909.db2.gz DNECLPJCJOZROM-AWEZNQCLSA-N 1 1 329.404 0.191 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN([C@H](C)c3n[nH]c(C)n3)C2)CC1 ZINC001016338399 766147055 /nfs/dbraw/zinc/14/70/55/766147055.db2.gz ZWXKRWINQKKWKU-CZUORRHYSA-N 1 1 344.463 0.710 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001017761384 768352617 /nfs/dbraw/zinc/35/26/17/768352617.db2.gz OLAJADUCUCMRLG-GUTXKFCHSA-N 1 1 327.388 0.064 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CCO2 ZINC001053467949 766183544 /nfs/dbraw/zinc/18/35/44/766183544.db2.gz RTDFSRZVFNAZIM-IAGOWNOFSA-N 1 1 331.460 0.940 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)[nH+]c(C)c1C ZINC001106123271 766192775 /nfs/dbraw/zinc/19/27/75/766192775.db2.gz LPBOJNUZVCDLNB-KFWWJZLASA-N 1 1 334.420 0.882 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCN(C)S3(=O)=O)CCC[C@@H]12 ZINC000992314554 766248298 /nfs/dbraw/zinc/24/82/98/766248298.db2.gz UITBBQUFJPDBKO-IIAWOOMASA-N 1 1 341.477 0.710 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@H]12 ZINC000992320240 766258029 /nfs/dbraw/zinc/25/80/29/766258029.db2.gz CTTXYFVLGIPZNO-LRDDRELGSA-N 1 1 339.823 0.905 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@H]12 ZINC000992320240 766258034 /nfs/dbraw/zinc/25/80/34/766258034.db2.gz CTTXYFVLGIPZNO-LRDDRELGSA-N 1 1 339.823 0.905 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2 ZINC001053512714 766264980 /nfs/dbraw/zinc/26/49/80/766264980.db2.gz XLVMXJUGOALEEH-UHFFFAOYSA-N 1 1 331.416 0.878 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)CCN1CCCC1=O)CCO2 ZINC001053535998 766297834 /nfs/dbraw/zinc/29/78/34/766297834.db2.gz FHOWQFAMOXZJIC-UHFFFAOYSA-N 1 1 335.448 0.878 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)cc1C#N ZINC001031647878 766335268 /nfs/dbraw/zinc/33/52/68/766335268.db2.gz UQRUEYOFBYFWGD-AWEZNQCLSA-N 1 1 344.371 0.223 20 30 ECEDMO COC[C@@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)O2 ZINC001053588138 766381077 /nfs/dbraw/zinc/38/10/77/766381077.db2.gz PDJPPHPNGIPMEB-TZMCWYRMSA-N 1 1 332.404 0.884 20 30 ECEDMO COC[C@@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)O2 ZINC001053593495 766390344 /nfs/dbraw/zinc/39/03/44/766390344.db2.gz MHLOFPWCSWLQCR-IUODEOHRSA-N 1 1 332.404 0.884 20 30 ECEDMO CO[C@H](C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)O2 ZINC001053593403 766390972 /nfs/dbraw/zinc/39/09/72/766390972.db2.gz JMHXHIRTLCFASY-IUODEOHRSA-N 1 1 332.404 0.884 20 30 ECEDMO CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251337 766442771 /nfs/dbraw/zinc/44/27/71/766442771.db2.gz XPEBUYCIPRVNHH-IAGOWNOFSA-N 1 1 330.432 0.729 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251337 766442777 /nfs/dbraw/zinc/44/27/77/766442777.db2.gz XPEBUYCIPRVNHH-IAGOWNOFSA-N 1 1 330.432 0.729 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC001031679782 766445673 /nfs/dbraw/zinc/44/56/73/766445673.db2.gz IZIHCDCLOWJCGZ-OAGGEKHMSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)O2 ZINC001053620020 766451834 /nfs/dbraw/zinc/45/18/34/766451834.db2.gz FFDIPZBJTTWDTP-ZDUSSCGKSA-N 1 1 332.404 0.333 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H](C)C(N)=O)CC3)cn1 ZINC000992407155 766505019 /nfs/dbraw/zinc/50/50/19/766505019.db2.gz JQSAKZWXCCIGPA-MRAWALMUSA-N 1 1 326.400 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@H](C)C(N)=O)CC3)cn1 ZINC000992407155 766505021 /nfs/dbraw/zinc/50/50/21/766505021.db2.gz JQSAKZWXCCIGPA-MRAWALMUSA-N 1 1 326.400 0.664 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cn(CCOC)nn1)C2 ZINC001045937729 766509817 /nfs/dbraw/zinc/50/98/17/766509817.db2.gz JDVNIQVMUHBANS-SFHVURJKSA-N 1 1 345.447 0.876 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCCC(=O)N1)O2 ZINC001053662698 766535939 /nfs/dbraw/zinc/53/59/39/766535939.db2.gz TYYAIEVEDZPFML-HUUCEWRRSA-N 1 1 333.432 0.418 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC3(C[NH+]([C@@H](C)COC)C3)O2)nn1 ZINC001053676825 766560363 /nfs/dbraw/zinc/56/03/63/766560363.db2.gz KOUBYRGGTPRFHA-UONOGXRCSA-N 1 1 349.435 0.462 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC3(C[NH+](C[C@@H](C)O)C3)O2)nn1 ZINC001053677008 766560726 /nfs/dbraw/zinc/56/07/26/766560726.db2.gz OTYSZUYWMWWKMM-ZIAGYGMSSA-N 1 1 349.435 0.198 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001045988703 766563666 /nfs/dbraw/zinc/56/36/66/766563666.db2.gz UMIJTAVYHWUEFT-KSSFIOAISA-N 1 1 333.432 0.930 20 30 ECEDMO COCC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001045990642 766568453 /nfs/dbraw/zinc/56/84/53/766568453.db2.gz VSOAIRDXCAREJU-AWEZNQCLSA-N 1 1 348.472 0.985 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1OC ZINC001212257965 766596230 /nfs/dbraw/zinc/59/62/30/766596230.db2.gz KUXXRMPTNWYPBP-BZUAXINKSA-N 1 1 326.437 0.513 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCN(C(C)=O)C1)O2 ZINC001053691279 766599440 /nfs/dbraw/zinc/59/94/40/766599440.db2.gz YWDIGTUHBIIHPZ-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(CCOC)c1)O2 ZINC001053693498 766601469 /nfs/dbraw/zinc/60/14/69/766601469.db2.gz FEOYNAOEJHGYSH-INIZCTEOSA-N 1 1 346.431 0.516 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]c(CC)n2)nn1 ZINC001106132216 766610135 /nfs/dbraw/zinc/61/01/35/766610135.db2.gz VYELZNZNTIXSLT-LBPRGKRZSA-N 1 1 345.407 0.328 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)O2 ZINC001053698341 766613184 /nfs/dbraw/zinc/61/31/84/766613184.db2.gz JLWFINOCAAKBPD-CYBMUJFWSA-N 1 1 330.388 0.100 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc(C)cn3)CC2)C1 ZINC001046006520 766616685 /nfs/dbraw/zinc/61/66/85/766616685.db2.gz NPQQORIKZVEAFD-KRWDZBQOSA-N 1 1 331.464 0.986 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)n3cccn3)CC2)C1 ZINC001046006548 766616848 /nfs/dbraw/zinc/61/68/48/766616848.db2.gz OFWYBWXQXJNPFA-IRXDYDNUSA-N 1 1 329.448 0.686 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3cncn3C)C2)CC1 ZINC001046013429 766641865 /nfs/dbraw/zinc/64/18/65/766641865.db2.gz YENTYJRKXMMHNV-CABCVRRESA-N 1 1 330.436 0.298 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3nccnc3N)CC2)C1 ZINC001046013667 766644320 /nfs/dbraw/zinc/64/43/20/766644320.db2.gz GODJPWBNJORFQI-AWEZNQCLSA-N 1 1 330.436 0.467 20 30 ECEDMO CO[C@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046017560 766654044 /nfs/dbraw/zinc/65/40/44/766654044.db2.gz NZBJERSJVKUKKV-ZBFHGGJFSA-N 1 1 345.447 0.753 20 30 ECEDMO COC[C@@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046018331 766656237 /nfs/dbraw/zinc/65/62/37/766656237.db2.gz VTPYIRPSTNTZQO-ZBFHGGJFSA-N 1 1 345.447 0.753 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 ZINC001046021314 766665701 /nfs/dbraw/zinc/66/57/01/766665701.db2.gz BYJAEHUEAOTLNQ-JKSUJKDBSA-N 1 1 335.448 0.734 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046021489 766665774 /nfs/dbraw/zinc/66/57/74/766665774.db2.gz IKSGECDAQUMCCP-GOEBONIOSA-N 1 1 345.447 0.753 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000994750696 766687160 /nfs/dbraw/zinc/68/71/60/766687160.db2.gz BPTCTNBORUJHSF-IRXDYDNUSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1OC ZINC001212262479 766688578 /nfs/dbraw/zinc/68/85/78/766688578.db2.gz PLLSGIXEJNXNEG-GVDBMIGSSA-N 1 1 338.448 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(C(C)C)c2)C1 ZINC000994749698 766692146 /nfs/dbraw/zinc/69/21/46/766692146.db2.gz CQCDXMLXYWTUHS-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(C(C)C)c2)C1 ZINC000994749698 766692150 /nfs/dbraw/zinc/69/21/50/766692150.db2.gz CQCDXMLXYWTUHS-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)C(F)(F)F)C1 ZINC000994749879 766692298 /nfs/dbraw/zinc/69/22/98/766692298.db2.gz FAELJIQGYNRCEW-LBPRGKRZSA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)C(F)(F)F)C1 ZINC000994749879 766692300 /nfs/dbraw/zinc/69/23/00/766692300.db2.gz FAELJIQGYNRCEW-LBPRGKRZSA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000994750899 766692724 /nfs/dbraw/zinc/69/27/24/766692724.db2.gz DVTNZUUVIMMHLY-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000994750899 766692749 /nfs/dbraw/zinc/69/27/49/766692749.db2.gz DVTNZUUVIMMHLY-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3(c4ccccn4)CC3)CC2)C1 ZINC001046029917 766695795 /nfs/dbraw/zinc/69/57/95/766695795.db2.gz FTWOHYXZIIAOOC-KRWDZBQOSA-N 1 1 338.455 0.965 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(Cl)n(C)n2)C1 ZINC000994751046 766696348 /nfs/dbraw/zinc/69/63/48/766696348.db2.gz LUNOHFYEIZLNIH-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(Cl)n(C)n2)C1 ZINC000994751046 766696353 /nfs/dbraw/zinc/69/63/53/766696353.db2.gz LUNOHFYEIZLNIH-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(Cl)cnn3C)CC2)C1 ZINC001046030308 766696440 /nfs/dbraw/zinc/69/64/40/766696440.db2.gz OGMHCGYRLINKSI-CYBMUJFWSA-N 1 1 335.839 0.539 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)nc(C)c2)C1 ZINC000994752236 766702000 /nfs/dbraw/zinc/70/20/00/766702000.db2.gz QQTDPVVXWVWDEA-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)nc(C)c2)C1 ZINC000994752236 766702005 /nfs/dbraw/zinc/70/20/05/766702005.db2.gz QQTDPVVXWVWDEA-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)c3ccnn3C)CC2)C1 ZINC001046031763 766702265 /nfs/dbraw/zinc/70/22/65/766702265.db2.gz VJBLEBIHHDDWTO-HZPDHXFCSA-N 1 1 331.464 0.928 20 30 ECEDMO CCN(c1ccncc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089624991 766704830 /nfs/dbraw/zinc/70/48/30/766704830.db2.gz LAFSJXASLBQHTD-CZUORRHYSA-N 1 1 331.420 0.615 20 30 ECEDMO CCN(c1ccncc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089624991 766704831 /nfs/dbraw/zinc/70/48/31/766704831.db2.gz LAFSJXASLBQHTD-CZUORRHYSA-N 1 1 331.420 0.615 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046033175 766708607 /nfs/dbraw/zinc/70/86/07/766708607.db2.gz VGAYGRBVLKXWHV-AWEZNQCLSA-N 1 1 329.872 0.976 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000994754991 766709922 /nfs/dbraw/zinc/70/99/22/766709922.db2.gz PIPGTADKNSDACX-INIZCTEOSA-N 1 1 346.475 0.143 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ccn(C)n3)CC2)C1 ZINC001046033482 766709958 /nfs/dbraw/zinc/70/99/58/766709958.db2.gz GNFNJTQMCKESAI-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H](C)n2cccn2)C1 ZINC000994753541 766710876 /nfs/dbraw/zinc/71/08/76/766710876.db2.gz IAYQETFMDWRMQH-HOCLYGCPSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H](C)n2cccn2)C1 ZINC000994753541 766710879 /nfs/dbraw/zinc/71/08/79/766710879.db2.gz IAYQETFMDWRMQH-HOCLYGCPSA-N 1 1 343.431 0.259 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046034414 766714581 /nfs/dbraw/zinc/71/45/81/766714581.db2.gz VDFIHKLECLEKDU-IAGOWNOFSA-N 1 1 333.480 0.603 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)c2ccco2)C1 ZINC000994755318 766716242 /nfs/dbraw/zinc/71/62/42/766716242.db2.gz RCENQMLOTQYTGT-ZFWWWQNUSA-N 1 1 329.400 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)c2ccco2)C1 ZINC000994755318 766716247 /nfs/dbraw/zinc/71/62/47/766716247.db2.gz RCENQMLOTQYTGT-ZFWWWQNUSA-N 1 1 329.400 0.808 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nnn3CC)CC2)C1 ZINC001046035862 766722717 /nfs/dbraw/zinc/72/27/17/766722717.db2.gz UZCHCXOZNVGYOH-OAHLLOKOSA-N 1 1 330.436 0.072 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(Cl)cn2C)C1 ZINC000994756008 766723102 /nfs/dbraw/zinc/72/31/02/766723102.db2.gz TVTXFQYMLXUWAH-AWEZNQCLSA-N 1 1 348.834 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(Cl)cn2C)C1 ZINC000994756008 766723107 /nfs/dbraw/zinc/72/31/07/766723107.db2.gz TVTXFQYMLXUWAH-AWEZNQCLSA-N 1 1 348.834 0.717 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)C1 ZINC001046036148 766724108 /nfs/dbraw/zinc/72/41/08/766724108.db2.gz BFUPCLMBQWGPIB-QFBILLFUSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046036027 766724605 /nfs/dbraw/zinc/72/46/05/766724605.db2.gz ZAHCHFXMXCNVOF-DLBZAZTESA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCF)C2)CC1 ZINC001046036176 766725681 /nfs/dbraw/zinc/72/56/81/766725681.db2.gz CARUWJSOUGQYOK-IRXDYDNUSA-N 1 1 336.455 0.272 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)COc3cc(C)on3)CC2)C1 ZINC001046036897 766729845 /nfs/dbraw/zinc/72/98/45/766729845.db2.gz IVLSNAROQKHPKS-OAHLLOKOSA-N 1 1 332.404 0.214 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c(C)ncn3C)CC2)C1 ZINC001046036772 766730095 /nfs/dbraw/zinc/73/00/95/766730095.db2.gz FUOGOWLUPANYFV-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 ZINC001046037572 766733699 /nfs/dbraw/zinc/73/36/99/766733699.db2.gz SSRKJPBBECZZHO-IRXDYDNUSA-N 1 1 348.491 0.697 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046037844 766736208 /nfs/dbraw/zinc/73/62/08/766736208.db2.gz ARXXUVCNQAYLHU-APWZRJJASA-N 1 1 348.491 0.697 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)S(C)(=O)=O)CC2)C1 ZINC001046038556 766738910 /nfs/dbraw/zinc/73/89/10/766738910.db2.gz NBFNWSXQUOFHMZ-GJZGRUSLSA-N 1 1 343.493 0.214 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)S(C)(=O)=O)CC2)C1 ZINC001046038556 766738920 /nfs/dbraw/zinc/73/89/20/766738920.db2.gz NBFNWSXQUOFHMZ-GJZGRUSLSA-N 1 1 343.493 0.214 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046041239 766750624 /nfs/dbraw/zinc/75/06/24/766750624.db2.gz OXGACOYMDGBVSQ-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc(OC)c3)CC2)C1 ZINC001046042579 766756246 /nfs/dbraw/zinc/75/62/46/766756246.db2.gz JHLSIFWFCKDWDA-QGZVFWFLSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1 ZINC001046046302 766774470 /nfs/dbraw/zinc/77/44/70/766774470.db2.gz BQJHCIPIALOJTB-KSZLIROESA-N 1 1 331.460 0.653 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC001046048453 766780694 /nfs/dbraw/zinc/78/06/94/766780694.db2.gz WBGRGLHVIGFEDA-KRWDZBQOSA-N 1 1 344.463 0.082 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCn3nc(C)cc3C)CC2)C1 ZINC001046049259 766782815 /nfs/dbraw/zinc/78/28/15/766782815.db2.gz METGDMPHZWXBST-GOSISDBHSA-N 1 1 343.475 0.742 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001046049301 766782836 /nfs/dbraw/zinc/78/28/36/766782836.db2.gz NAZLKSUKOYIQLI-INIZCTEOSA-N 1 1 346.479 0.709 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046050055 766785385 /nfs/dbraw/zinc/78/53/85/766785385.db2.gz CZBQWXPISOSLQR-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)c1 ZINC001053766453 766785509 /nfs/dbraw/zinc/78/55/09/766785509.db2.gz NPMCPKLSJLGUEG-OCCSQVGLSA-N 1 1 330.388 0.496 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3csc(=O)[nH]3)CC2)C1 ZINC001046051424 766792069 /nfs/dbraw/zinc/79/20/69/766792069.db2.gz GYHKEKKJJAOWQL-ZDUSSCGKSA-N 1 1 334.445 0.704 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046053431 766797277 /nfs/dbraw/zinc/79/72/77/766797277.db2.gz BFCQFBLINCUVOP-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046053430 766797662 /nfs/dbraw/zinc/79/76/62/766797662.db2.gz BFCQFBLINCUVOP-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(F)CCOC3)CC2)C1 ZINC001046056890 766812298 /nfs/dbraw/zinc/81/22/98/766812298.db2.gz VRHSLQNJDKFHBI-NVXWUHKLSA-N 1 1 325.428 0.910 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccc(OC)cn3)CC2)C1 ZINC001046057219 766812843 /nfs/dbraw/zinc/81/28/43/766812843.db2.gz XHBAUFZQNIKCQL-QGZVFWFLSA-N 1 1 342.443 0.484 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046060141 766825294 /nfs/dbraw/zinc/82/52/94/766825294.db2.gz WEBZCZOLKCZRPL-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC001046067286 766859672 /nfs/dbraw/zinc/85/96/72/766859672.db2.gz WLCDBAJJYZOAQP-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3nccc3C)CC2)C1 ZINC001046069419 766868638 /nfs/dbraw/zinc/86/86/38/766868638.db2.gz FUUFCJHEYGPFPI-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC001046072791 766882910 /nfs/dbraw/zinc/88/29/10/766882910.db2.gz NEIHFWHLKSJSDC-OAHLLOKOSA-N 1 1 345.447 0.522 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC001046073242 766886754 /nfs/dbraw/zinc/88/67/54/766886754.db2.gz YUWWSBUWXBMXGJ-MRXNPFEDSA-N 1 1 329.448 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CC)c3C)CC2)C1 ZINC001046074227 766890222 /nfs/dbraw/zinc/89/02/22/766890222.db2.gz VRACOFUZRVPWNZ-MRXNPFEDSA-N 1 1 329.448 0.677 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CCC)nn3)CC2)C1 ZINC001046074782 766891586 /nfs/dbraw/zinc/89/15/86/766891586.db2.gz HAHNGJQCXNDRDL-HNNXBMFYSA-N 1 1 330.436 0.153 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C#C)nc3)CC2)C1 ZINC001046075621 766897443 /nfs/dbraw/zinc/89/74/43/766897443.db2.gz CKUQBKGVYXRGGS-LJQANCHMSA-N 1 1 336.439 0.918 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)nc1 ZINC001046076113 766900938 /nfs/dbraw/zinc/90/09/38/766900938.db2.gz CQVKGQDLEPTPIW-QGZVFWFLSA-N 1 1 342.443 0.277 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cc(C(N)=O)ccn3)CCC[C@@H]12 ZINC000992567042 766901772 /nfs/dbraw/zinc/90/17/72/766901772.db2.gz CIWSMRLPJSZVOV-QAPCUYQASA-N 1 1 326.400 0.931 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](C[C@@H](C)O)C3)CC2)nc1 ZINC001046078473 766910662 /nfs/dbraw/zinc/91/06/62/766910662.db2.gz YGXYLHVKHDQESN-WBVHZDCISA-N 1 1 342.443 0.276 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC001046078564 766910802 /nfs/dbraw/zinc/91/08/02/766910802.db2.gz ZOBYJXTWBWRCAY-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046080482 766916582 /nfs/dbraw/zinc/91/65/82/766916582.db2.gz IADQAVANDRXVKH-ZWKOTPCHSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC001046080323 766916613 /nfs/dbraw/zinc/91/66/13/766916613.db2.gz FGZLJMOVCLRSSS-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046086087 766928282 /nfs/dbraw/zinc/92/82/82/766928282.db2.gz SXVKSLFJWRSLNE-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001031733668 766935942 /nfs/dbraw/zinc/93/59/42/766935942.db2.gz IODBVTMTVUKCNX-UHFFFAOYSA-N 1 1 344.415 0.485 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001106137396 766967008 /nfs/dbraw/zinc/96/70/08/766967008.db2.gz OSCFKDPNOJFYNA-KFWWJZLASA-N 1 1 334.420 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001046155059 766986721 /nfs/dbraw/zinc/98/67/21/766986721.db2.gz JZZBWHKAXNIFOY-QAPCUYQASA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001046155059 766986727 /nfs/dbraw/zinc/98/67/27/766986727.db2.gz JZZBWHKAXNIFOY-QAPCUYQASA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc3n(n2)CCC3)C1 ZINC001031740866 766986893 /nfs/dbraw/zinc/98/68/93/766986893.db2.gz MUKQYQWEYDFVLZ-SFHVURJKSA-N 1 1 341.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc3n(n2)CCC3)C1 ZINC001031740866 766986897 /nfs/dbraw/zinc/98/68/97/766986897.db2.gz MUKQYQWEYDFVLZ-SFHVURJKSA-N 1 1 341.459 0.475 20 30 ECEDMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083708527 766996765 /nfs/dbraw/zinc/99/67/65/766996765.db2.gz OZHKFGMHACHAKF-CVEARBPZSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083708527 766996770 /nfs/dbraw/zinc/99/67/70/766996770.db2.gz OZHKFGMHACHAKF-CVEARBPZSA-N 1 1 339.399 0.575 20 30 ECEDMO CC1(C)CC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)N(CC#N)C1 ZINC001089674472 766999483 /nfs/dbraw/zinc/99/94/83/766999483.db2.gz ADGHQFNGWTUYBX-BWRBCVJASA-N 1 1 346.475 0.980 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc(C(N)=O)nc1)CO2 ZINC001053847698 767009207 /nfs/dbraw/zinc/00/92/07/767009207.db2.gz KFHCKIZPAIGAEZ-CQSZACIVSA-N 1 1 344.415 0.259 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCn3cncc3C1)CO2 ZINC001053850961 767017960 /nfs/dbraw/zinc/01/79/60/767017960.db2.gz HLKCIBAFGARVAN-HUUCEWRRSA-N 1 1 330.432 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001046194511 767044022 /nfs/dbraw/zinc/04/40/22/767044022.db2.gz FZHKYNPHXWNIQD-WMLDXEAASA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001046194511 767044032 /nfs/dbraw/zinc/04/40/32/767044032.db2.gz FZHKYNPHXWNIQD-WMLDXEAASA-N 1 1 331.420 0.699 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001046220616 767086714 /nfs/dbraw/zinc/08/67/14/767086714.db2.gz VCMXOBNWZSUNPZ-AZUAARDMSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001046220616 767086725 /nfs/dbraw/zinc/08/67/25/767086725.db2.gz VCMXOBNWZSUNPZ-AZUAARDMSA-N 1 1 341.455 0.949 20 30 ECEDMO CN(C(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1)C1CC1 ZINC001046220028 767086816 /nfs/dbraw/zinc/08/68/16/767086816.db2.gz GWCOKXDBGJELQJ-KRWDZBQOSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1)C1CC1 ZINC001046220028 767086825 /nfs/dbraw/zinc/08/68/25/767086825.db2.gz GWCOKXDBGJELQJ-KRWDZBQOSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046223488 767090507 /nfs/dbraw/zinc/09/05/07/767090507.db2.gz LXEAWKMEZUSIBE-MRXNPFEDSA-N 1 1 330.392 0.106 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N4CCC4)[C@@H]3C2)[nH]1 ZINC001042016787 782604320 /nfs/dbraw/zinc/60/43/20/782604320.db2.gz UKRXWXGAIPSLOR-XJKSGUPXSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2ccco2)C1 ZINC000938756651 767108215 /nfs/dbraw/zinc/10/82/15/767108215.db2.gz UTUXCSBQCUNLDW-RDJZCZTQSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2ccco2)C1 ZINC000938756651 767108217 /nfs/dbraw/zinc/10/82/17/767108217.db2.gz UTUXCSBQCUNLDW-RDJZCZTQSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001089731159 767134091 /nfs/dbraw/zinc/13/40/91/767134091.db2.gz CMLZTPPGPMSRNR-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001046312488 767141602 /nfs/dbraw/zinc/14/16/02/767141602.db2.gz ZWSSWJDIPUKUNY-UHFFFAOYSA-N 1 1 332.404 0.237 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046329730 767152363 /nfs/dbraw/zinc/15/23/63/767152363.db2.gz UXEIYHMCPKDAGX-ZNMIVQPWSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046329730 767152365 /nfs/dbraw/zinc/15/23/65/767152365.db2.gz UXEIYHMCPKDAGX-ZNMIVQPWSA-N 1 1 329.404 0.591 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N4CCC4)[C@@H]3C2)c[nH]1 ZINC001042018907 782610093 /nfs/dbraw/zinc/61/00/93/782610093.db2.gz ORWHMBKZNQEPFY-XJKSGUPXSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001046395017 767193020 /nfs/dbraw/zinc/19/30/20/767193020.db2.gz ZKRSPOQJGLJYEU-KSSFIOAISA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001046395017 767193024 /nfs/dbraw/zinc/19/30/24/767193024.db2.gz ZKRSPOQJGLJYEU-KSSFIOAISA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001212313878 767204238 /nfs/dbraw/zinc/20/42/38/767204238.db2.gz YPPDTDKGTKZYRV-HUUCEWRRSA-N 1 1 335.404 0.709 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000994897996 767208632 /nfs/dbraw/zinc/20/86/32/767208632.db2.gz ZWJHNEPYCSNRRA-CMPLNLGQSA-N 1 1 328.380 0.098 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001046420951 767209203 /nfs/dbraw/zinc/20/92/03/767209203.db2.gz ORFPMOAGNYUGRE-DYEKYZERSA-N 1 1 334.338 0.937 20 30 ECEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001046429537 767215567 /nfs/dbraw/zinc/21/55/67/767215567.db2.gz TYCOGIRBKYVVJW-KRWDZBQOSA-N 1 1 327.388 0.955 20 30 ECEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@H](OC)C1 ZINC001212322685 767216224 /nfs/dbraw/zinc/21/62/24/767216224.db2.gz GFUWVMIOVHEVGP-ZIAGYGMSSA-N 1 1 330.392 0.520 20 30 ECEDMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001089797249 767221720 /nfs/dbraw/zinc/22/17/20/767221720.db2.gz LDHKTALHLUCQQN-PCBIJLKTSA-N 1 1 341.415 0.415 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(=O)n(C)o2)C1 ZINC001089797042 767221726 /nfs/dbraw/zinc/22/17/26/767221726.db2.gz INVVKNNHOQHGAK-AJNGGQMLSA-N 1 1 329.400 0.784 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)o1 ZINC001089798842 767223763 /nfs/dbraw/zinc/22/37/63/767223763.db2.gz ZNTJFIPMNSBLRL-YJNKXOJESA-N 1 1 329.400 0.784 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@H](OC)C1 ZINC001212332762 767233346 /nfs/dbraw/zinc/23/33/46/767233346.db2.gz KWIPSBXWRKFZNC-HZPDHXFCSA-N 1 1 334.420 0.725 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@H](OC)C1 ZINC001212332762 767233347 /nfs/dbraw/zinc/23/33/47/767233347.db2.gz KWIPSBXWRKFZNC-HZPDHXFCSA-N 1 1 334.420 0.725 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CS(=O)(=O)C2)C1 ZINC001089806103 767233965 /nfs/dbraw/zinc/23/39/65/767233965.db2.gz NEXALCQJKCXAFL-TUUVXOQKSA-N 1 1 338.473 0.776 20 30 ECEDMO Cn1ncc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)n1 ZINC001089807254 767234429 /nfs/dbraw/zinc/23/44/29/767234429.db2.gz XRZFLOITTFBXOB-OWLYRPNTSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1ncc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)n1 ZINC001089807254 767234430 /nfs/dbraw/zinc/23/44/30/767234430.db2.gz XRZFLOITTFBXOB-OWLYRPNTSA-N 1 1 339.443 0.897 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001046451143 767234478 /nfs/dbraw/zinc/23/44/78/767234478.db2.gz HNPOQXWUOQLIER-QGZVFWFLSA-N 1 1 328.372 0.630 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001046450942 767234615 /nfs/dbraw/zinc/23/46/15/767234615.db2.gz FXIQDLGIGFUDSD-QGZVFWFLSA-N 1 1 328.372 0.630 20 30 ECEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001046466617 767243357 /nfs/dbraw/zinc/24/33/57/767243357.db2.gz NYZIHUTUCIXBCD-KRWDZBQOSA-N 1 1 334.420 0.660 20 30 ECEDMO CN1C[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001046540951 767292046 /nfs/dbraw/zinc/29/20/46/767292046.db2.gz BKVZQTAUAKATPN-CRAIPNDOSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(OC)nc3)C2)C1=O ZINC001031829475 767309862 /nfs/dbraw/zinc/30/98/62/767309862.db2.gz STDAHYYDQKTCDY-HNNXBMFYSA-N 1 1 344.415 0.539 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(COC)o3)C2)C1=O ZINC001031830458 767311483 /nfs/dbraw/zinc/31/14/83/767311483.db2.gz CRDDVQBCRXNLHJ-HNNXBMFYSA-N 1 1 347.415 0.875 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2C#N)C1 ZINC001046577812 767323527 /nfs/dbraw/zinc/32/35/27/767323527.db2.gz VHFKTMKLQSCKOI-IGQOVBAYSA-N 1 1 328.420 0.853 20 30 ECEDMO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908281 767330021 /nfs/dbraw/zinc/33/00/21/767330021.db2.gz ORTLWHQZXHEQEC-LSDHHAIUSA-N 1 1 328.416 0.347 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046585620 767335105 /nfs/dbraw/zinc/33/51/05/767335105.db2.gz HJVNGTWLUWIHNN-RHSMWYFYSA-N 1 1 327.388 0.320 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn2c(n1)COCC2 ZINC001089826768 767340982 /nfs/dbraw/zinc/34/09/82/767340982.db2.gz KUBMDLPXLMJAFQ-HWMZRRJGSA-N 1 1 340.427 0.829 20 30 ECEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001046594510 767346846 /nfs/dbraw/zinc/34/68/46/767346846.db2.gz JBPIWHLTZWLYSB-GOSISDBHSA-N 1 1 348.447 0.865 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001046604687 767357191 /nfs/dbraw/zinc/35/71/91/767357191.db2.gz MOWFCAYEDSUYRI-MAUKXSAKSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001046604687 767357200 /nfs/dbraw/zinc/35/72/00/767357200.db2.gz MOWFCAYEDSUYRI-MAUKXSAKSA-N 1 1 326.400 0.488 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2COC3(CN(CC#N)C3)C2)C1 ZINC001053925380 767378423 /nfs/dbraw/zinc/37/84/23/767378423.db2.gz JQHIURORAXQPLB-GUYCJALGSA-N 1 1 338.427 0.682 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncncc1Cl ZINC001106154308 767404923 /nfs/dbraw/zinc/40/49/23/767404923.db2.gz HOSUBEODEPTKET-AAEUAGOBSA-N 1 1 337.811 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncncc1Cl ZINC001106154308 767404925 /nfs/dbraw/zinc/40/49/25/767404925.db2.gz HOSUBEODEPTKET-AAEUAGOBSA-N 1 1 337.811 0.117 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001089834782 767413224 /nfs/dbraw/zinc/41/32/24/767413224.db2.gz SCMVXWYYYFOOES-VGWMRTNUSA-N 1 1 343.427 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccc(OC)n2)C1 ZINC001046647558 767414683 /nfs/dbraw/zinc/41/46/83/767414683.db2.gz UYOANGPDBLMOKL-ZNMIVQPWSA-N 1 1 343.431 0.890 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccc(OC)n2)C1 ZINC001046647558 767414689 /nfs/dbraw/zinc/41/46/89/767414689.db2.gz UYOANGPDBLMOKL-ZNMIVQPWSA-N 1 1 343.431 0.890 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCS(=O)(=O)CC1)CO2 ZINC001053944535 767418444 /nfs/dbraw/zinc/41/84/44/767418444.db2.gz YBMLMPVMIWYHQZ-AWEZNQCLSA-N 1 1 342.461 0.347 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001046671210 767450122 /nfs/dbraw/zinc/45/01/22/767450122.db2.gz CRQWMYBSWOXPGV-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001016995789 767450428 /nfs/dbraw/zinc/45/04/28/767450428.db2.gz YGQBUUUOZSYYTF-NRXISQOPSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001016995789 767450431 /nfs/dbraw/zinc/45/04/31/767450431.db2.gz YGQBUUUOZSYYTF-NRXISQOPSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046672367 767453388 /nfs/dbraw/zinc/45/33/88/767453388.db2.gz SNNVCCCDQZASFF-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)c(C#N)cn1 ZINC001106165426 767465785 /nfs/dbraw/zinc/46/57/85/767465785.db2.gz MSQDLQNGMJIOQL-GDBMZVCRSA-N 1 1 331.420 0.057 20 30 ECEDMO C#CCN1CC2(C1)C[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)CO2 ZINC001053967968 767484070 /nfs/dbraw/zinc/48/40/70/767484070.db2.gz HKNHCWGGLFIKBD-HNNXBMFYSA-N 1 1 337.383 0.474 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001046695720 767499937 /nfs/dbraw/zinc/49/99/37/767499937.db2.gz LZRODECKODGOBN-UHFFFAOYSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001060464545 767508950 /nfs/dbraw/zinc/50/89/50/767508950.db2.gz ZVAYWPFXSRPOKD-KGLIPLIRSA-N 1 1 334.420 0.898 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccn3c(=O)[nH]nc13)CO2 ZINC001053980636 767520765 /nfs/dbraw/zinc/52/07/65/767520765.db2.gz ALIDGEAALXKOKS-LBPRGKRZSA-N 1 1 343.387 0.584 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)CO2 ZINC001053992849 767546319 /nfs/dbraw/zinc/54/63/19/767546319.db2.gz BMCHLXHYMKUVAD-GJZGRUSLSA-N 1 1 335.448 0.971 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)CN1CCCCCC1=O)CO2 ZINC001054002125 767567529 /nfs/dbraw/zinc/56/75/29/767567529.db2.gz RAZCPLKUBZIYOP-HNNXBMFYSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001046756968 767597447 /nfs/dbraw/zinc/59/74/47/767597447.db2.gz BRCSJOBSYGVXIW-QGZVFWFLSA-N 1 1 331.420 0.847 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C1CC1)N1CCOCC1)CO2 ZINC001054013135 767597757 /nfs/dbraw/zinc/59/77/57/767597757.db2.gz OUQUYJLXJLSQNQ-SJORKVTESA-N 1 1 349.475 0.633 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nncn3C1)CO2 ZINC001054016787 767607380 /nfs/dbraw/zinc/60/73/80/767607380.db2.gz JOEGZESHKXOILW-LSDHHAIUSA-N 1 1 345.447 0.766 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC001054037364 767636356 /nfs/dbraw/zinc/63/63/56/767636356.db2.gz DBGMQJXEVKVUTD-OALUTQOASA-N 1 1 341.455 0.883 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC001054037364 767636359 /nfs/dbraw/zinc/63/63/59/767636359.db2.gz DBGMQJXEVKVUTD-OALUTQOASA-N 1 1 341.455 0.883 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001054039594 767638813 /nfs/dbraw/zinc/63/88/13/767638813.db2.gz DATGRVSBFMBUTL-JKSUJKDBSA-N 1 1 327.384 0.661 20 30 ECEDMO C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001054050945 767649975 /nfs/dbraw/zinc/64/99/75/767649975.db2.gz PLLCQDDWIOBQQF-HNNXBMFYSA-N 1 1 326.404 0.943 20 30 ECEDMO C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001054050945 767649977 /nfs/dbraw/zinc/64/99/77/767649977.db2.gz PLLCQDDWIOBQQF-HNNXBMFYSA-N 1 1 326.404 0.943 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001054056075 767653452 /nfs/dbraw/zinc/65/34/52/767653452.db2.gz XPLJINBLXRVUJR-MRXNPFEDSA-N 1 1 341.411 0.768 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001054056075 767653455 /nfs/dbraw/zinc/65/34/55/767653455.db2.gz XPLJINBLXRVUJR-MRXNPFEDSA-N 1 1 341.411 0.768 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054059227 767655989 /nfs/dbraw/zinc/65/59/89/767655989.db2.gz JWFKIFGBAYRPJS-MSOLQXFVSA-N 1 1 342.443 0.774 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054059227 767655993 /nfs/dbraw/zinc/65/59/93/767655993.db2.gz JWFKIFGBAYRPJS-MSOLQXFVSA-N 1 1 342.443 0.774 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001054111731 767701517 /nfs/dbraw/zinc/70/15/17/767701517.db2.gz BLNWKRDVBDJLAB-ACJLOTCBSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001054116337 767703312 /nfs/dbraw/zinc/70/33/12/767703312.db2.gz QHWPTJQMKHRYCF-SJCJKPOMSA-N 1 1 329.404 0.688 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054129876 767723937 /nfs/dbraw/zinc/72/39/37/767723937.db2.gz BKVXFVHAXZVGDX-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054129876 767723941 /nfs/dbraw/zinc/72/39/41/767723941.db2.gz BKVXFVHAXZVGDX-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](Cn1cccn1)N(C)C)C2 ZINC001054144723 767740020 /nfs/dbraw/zinc/74/00/20/767740020.db2.gz CNDIWGKDSGDNOC-PKOBYXMFSA-N 1 1 343.475 0.761 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(=O)n(C)cn1)C2 ZINC001054147853 767744285 /nfs/dbraw/zinc/74/42/85/767744285.db2.gz ZWEAGULSOJHAMX-SFHVURJKSA-N 1 1 328.416 0.732 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001054155473 767751377 /nfs/dbraw/zinc/75/13/77/767751377.db2.gz RTAJDWCZJPNOET-GOSISDBHSA-N 1 1 334.464 0.261 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001054156538 767752204 /nfs/dbraw/zinc/75/22/04/767752204.db2.gz SNQNRZVOEOEXGB-KRWDZBQOSA-N 1 1 333.436 0.472 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC000992897767 767769775 /nfs/dbraw/zinc/76/97/75/767769775.db2.gz ZTJRAGQZYJIFHT-FRQCXROJSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)[C@@H](O)C1 ZINC001083717738 767819685 /nfs/dbraw/zinc/81/96/85/767819685.db2.gz LLWCMQYPJGMVGJ-KFWWJZLASA-N 1 1 335.448 0.208 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)nc1 ZINC001054229121 767837546 /nfs/dbraw/zinc/83/75/46/767837546.db2.gz KOLQDFPEBXCQNJ-LIRRHRJNSA-N 1 1 340.427 0.865 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001054235725 767844742 /nfs/dbraw/zinc/84/47/42/767844742.db2.gz BIQZRXMYMUPTSY-KSSFIOAISA-N 1 1 346.431 0.312 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CCN1CCNC1=O ZINC000993200216 768449925 /nfs/dbraw/zinc/44/99/25/768449925.db2.gz MOUUXZBNMXVZAK-SWLSCSKDSA-N 1 1 344.419 0.494 20 30 ECEDMO Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)n1 ZINC001055034230 768539494 /nfs/dbraw/zinc/53/94/94/768539494.db2.gz IDNMDGUSYAAYKA-OJLVUWQFSA-N 1 1 340.431 0.834 20 30 ECEDMO Cc1cc(NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001106641739 768545047 /nfs/dbraw/zinc/54/50/47/768545047.db2.gz DMYMFFSMZXBSPU-DXCKQFNASA-N 1 1 345.447 0.709 20 30 ECEDMO Cc1cc(NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001106641739 768545051 /nfs/dbraw/zinc/54/50/51/768545051.db2.gz DMYMFFSMZXBSPU-DXCKQFNASA-N 1 1 345.447 0.709 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001055339791 768796938 /nfs/dbraw/zinc/79/69/38/768796938.db2.gz IKIXCQSRLFXXGV-HRCADAONSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001055339911 768797002 /nfs/dbraw/zinc/79/70/02/768797002.db2.gz KWFNEYKZDVIKBQ-OAGGEKHMSA-N 1 1 335.448 0.282 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001055340828 768798358 /nfs/dbraw/zinc/79/83/58/768798358.db2.gz XJWDSGSLZAVQTH-BMFZPTHFSA-N 1 1 344.415 0.147 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001055381025 768838771 /nfs/dbraw/zinc/83/87/71/768838771.db2.gz PPBKWSKXOVQVHN-MWDXBVQZSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(C)(F)F)CC1 ZINC001055494574 768938002 /nfs/dbraw/zinc/93/80/02/768938002.db2.gz NZKVIVYTOIBELW-LBPRGKRZSA-N 1 1 347.406 0.930 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001106778576 768941753 /nfs/dbraw/zinc/94/17/53/768941753.db2.gz CRZVOIYKIFFXSO-CQSZACIVSA-N 1 1 330.436 0.905 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001018238594 768945461 /nfs/dbraw/zinc/94/54/61/768945461.db2.gz IFSPKJYTQCSPFP-BETUJISGSA-N 1 1 332.404 0.015 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]21 ZINC001042067529 782709645 /nfs/dbraw/zinc/70/96/45/782709645.db2.gz QRQGMKBXVAYPOS-ZIAGYGMSSA-N 1 1 346.435 0.266 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC000993414288 768992285 /nfs/dbraw/zinc/99/22/85/768992285.db2.gz NLKCJEXEGWUVNI-HUUCEWRRSA-N 1 1 348.447 0.482 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2cncs2)CC1 ZINC001055532395 769030388 /nfs/dbraw/zinc/03/03/88/769030388.db2.gz DDHWZTWDYRIRAI-NSHDSACASA-N 1 1 335.433 0.613 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001055538936 769053498 /nfs/dbraw/zinc/05/34/98/769053498.db2.gz PFLGLZWAJZQMAF-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001055538936 769053510 /nfs/dbraw/zinc/05/35/10/769053510.db2.gz PFLGLZWAJZQMAF-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C(=O)C(C)(C)C)CC1 ZINC001055545015 769077707 /nfs/dbraw/zinc/07/77/07/769077707.db2.gz BRVAHPMJMNWNHP-LBPRGKRZSA-N 1 1 336.436 0.458 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2cnsn2)CC1 ZINC001055573835 769155874 /nfs/dbraw/zinc/15/58/74/769155874.db2.gz JDKYQEPRSDQZMI-UHFFFAOYSA-N 1 1 347.444 0.262 20 30 ECEDMO C[NH+](C)CCC(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055575099 769159381 /nfs/dbraw/zinc/15/93/81/769159381.db2.gz MJSVKKGBCVUEIW-UHFFFAOYSA-N 1 1 334.464 0.048 20 30 ECEDMO C[N@@H+]1CC[C@@H](C(=O)NCCN2CCC(NC(=O)C#CC3CC3)CC2)C1 ZINC001055578261 769172587 /nfs/dbraw/zinc/17/25/87/769172587.db2.gz KSPBEKYXMLXPFO-MRXNPFEDSA-N 1 1 346.475 0.048 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCCN2CCC(NC(=O)C#CC3CC3)CC2)C1 ZINC001055578261 769172594 /nfs/dbraw/zinc/17/25/94/769172594.db2.gz KSPBEKYXMLXPFO-MRXNPFEDSA-N 1 1 346.475 0.048 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055580895 769179835 /nfs/dbraw/zinc/17/98/35/769179835.db2.gz UYWXYMBLOJCRMP-UHFFFAOYSA-N 1 1 348.451 0.717 20 30 ECEDMO C=C(C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055584065 769182824 /nfs/dbraw/zinc/18/28/24/769182824.db2.gz CAEWSGQQKJDZNE-UHFFFAOYSA-N 1 1 334.424 0.471 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)CC1 ZINC001018366173 769211847 /nfs/dbraw/zinc/21/18/47/769211847.db2.gz KTMHUTVZUFVZQN-DLBZAZTESA-N 1 1 349.475 0.409 20 30 ECEDMO Cn1cncc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055597678 769220354 /nfs/dbraw/zinc/22/03/54/769220354.db2.gz AWZSQBPUMKOYJD-UHFFFAOYSA-N 1 1 343.431 0.144 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042083812 782733094 /nfs/dbraw/zinc/73/30/94/782733094.db2.gz GNJCPHBANRWGGZ-UMVBOHGHSA-N 1 1 328.420 0.631 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000993538742 769243776 /nfs/dbraw/zinc/24/37/76/769243776.db2.gz BDQDFJJHALFXNB-VXGBXAGGSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000993538742 769243785 /nfs/dbraw/zinc/24/37/85/769243785.db2.gz BDQDFJJHALFXNB-VXGBXAGGSA-N 1 1 339.417 0.533 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C(=O)C(C)(C)C)CC1 ZINC001055629489 769295025 /nfs/dbraw/zinc/29/50/25/769295025.db2.gz BHLOOPBHPKLTOS-LBPRGKRZSA-N 1 1 336.436 0.458 20 30 ECEDMO Cc1ccnc(C(=O)NC2CC[NH+](CCNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001055630232 769300540 /nfs/dbraw/zinc/30/05/40/769300540.db2.gz XFQZKAOSTIBUSI-LBPRGKRZSA-N 1 1 344.419 0.255 20 30 ECEDMO CC[C@H](C(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1)[NH+](C)C ZINC001055632002 769305676 /nfs/dbraw/zinc/30/56/76/769305676.db2.gz OAOJVERPUFGEGY-UKRRQHHQSA-N 1 1 337.468 0.183 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001055632211 769306487 /nfs/dbraw/zinc/30/64/87/769306487.db2.gz QTNBPYUOUUGPTH-AWEZNQCLSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001055632211 769306493 /nfs/dbraw/zinc/30/64/93/769306493.db2.gz QTNBPYUOUUGPTH-AWEZNQCLSA-N 1 1 349.479 0.327 20 30 ECEDMO COc1nc(C(=O)NC2CC[NH+](CCNC(=O)[C@H](C)C#N)CC2)co1 ZINC001055632300 769307190 /nfs/dbraw/zinc/30/71/90/769307190.db2.gz RQGMEWRVCNCFKZ-LLVKDONJSA-N 1 1 349.391 0.153 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000993569943 769336207 /nfs/dbraw/zinc/33/62/07/769336207.db2.gz OGMGXTARDXGMIV-HUUCEWRRSA-N 1 1 333.432 0.533 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001018479110 769389442 /nfs/dbraw/zinc/38/94/42/769389442.db2.gz BDKMRZBAPXJJPP-AWEZNQCLSA-N 1 1 329.339 0.075 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H]1C ZINC000993625284 769437043 /nfs/dbraw/zinc/43/70/43/769437043.db2.gz SWHMAORJMQSGGR-UONOGXRCSA-N 1 1 341.415 0.937 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H]1C ZINC000993625284 769437052 /nfs/dbraw/zinc/43/70/52/769437052.db2.gz SWHMAORJMQSGGR-UONOGXRCSA-N 1 1 341.415 0.937 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC001042098456 782761204 /nfs/dbraw/zinc/76/12/04/782761204.db2.gz QVEPXZBOWRJICS-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@@H]21 ZINC001042099366 782764822 /nfs/dbraw/zinc/76/48/22/782764822.db2.gz AUXQBBMSAMWIRT-ZBFHGGJFSA-N 1 1 328.416 0.973 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC001078358388 782767950 /nfs/dbraw/zinc/76/79/50/782767950.db2.gz OSRIYMZLIKPFCO-VXGBXAGGSA-N 1 1 339.827 0.940 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CCCC)C1 ZINC001055775001 769672267 /nfs/dbraw/zinc/67/22/67/769672267.db2.gz GMCSDQXNFUWTLA-QFBILLFUSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CCCC)C1 ZINC001055775001 769672272 /nfs/dbraw/zinc/67/22/72/769672272.db2.gz GMCSDQXNFUWTLA-QFBILLFUSA-N 1 1 349.475 0.744 20 30 ECEDMO CCCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078360313 782772520 /nfs/dbraw/zinc/77/25/20/782772520.db2.gz QBQZFARCWDHWQE-DZGCQCFKSA-N 1 1 348.451 0.863 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3CCC3)C2)C1 ZINC001018672235 769745504 /nfs/dbraw/zinc/74/55/04/769745504.db2.gz YDCMBCYWUAEPPE-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3CCC3)C2)C1 ZINC001018672235 769745513 /nfs/dbraw/zinc/74/55/13/769745513.db2.gz YDCMBCYWUAEPPE-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001042104859 782779129 /nfs/dbraw/zinc/77/91/29/782779129.db2.gz SLFRJLUBRFUHSU-AWEZNQCLSA-N 1 1 335.448 0.517 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)c[nH]1 ZINC001018737981 769829887 /nfs/dbraw/zinc/82/98/87/769829887.db2.gz MISBHQZMDYRRDB-AWEZNQCLSA-N 1 1 339.403 0.892 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)c[nH]1 ZINC001018739093 769833755 /nfs/dbraw/zinc/83/37/55/769833755.db2.gz XAEWJMJDBQEIBO-LBPRGKRZSA-N 1 1 325.376 0.886 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001055831890 769894093 /nfs/dbraw/zinc/89/40/93/769894093.db2.gz ATNUFURQIUDLSV-OKILXGFUSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001055831948 769894394 /nfs/dbraw/zinc/89/43/94/769894394.db2.gz CWFXPNMDQFKWHB-OKILXGFUSA-N 1 1 328.420 0.870 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cccn3)[C@@H]2C)nn1 ZINC000993950223 769932338 /nfs/dbraw/zinc/93/23/38/769932338.db2.gz LQJHAFJDKIGSTR-HUUCEWRRSA-N 1 1 343.435 0.944 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCO[C@H](C[NH2+]Cc3ccon3)C2)c1 ZINC001078368711 782793101 /nfs/dbraw/zinc/79/31/01/782793101.db2.gz ACGJCBYESJBNAB-CQSZACIVSA-N 1 1 329.360 0.895 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)C[C@H]21 ZINC001042116269 782797995 /nfs/dbraw/zinc/79/79/95/782797995.db2.gz AZJBLKYYZYJRCG-UKRRQHHQSA-N 1 1 339.399 0.908 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)nn1 ZINC001055869877 770041033 /nfs/dbraw/zinc/04/10/33/770041033.db2.gz MAGRPHOZWASCNL-KRWDZBQOSA-N 1 1 326.404 0.483 20 30 ECEDMO N#Cc1nccnc1N1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001055912895 770191487 /nfs/dbraw/zinc/19/14/87/770191487.db2.gz UKRPXLWRBQHRRB-LSDHHAIUSA-N 1 1 340.431 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC000994168172 770238575 /nfs/dbraw/zinc/23/85/75/770238575.db2.gz DKAVEXUSXJWDKM-OCCSQVGLSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC000994168172 770238579 /nfs/dbraw/zinc/23/85/79/770238579.db2.gz DKAVEXUSXJWDKM-OCCSQVGLSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C ZINC000994169200 770241118 /nfs/dbraw/zinc/24/11/18/770241118.db2.gz LHJHEJYDFFFGRH-CHWSQXEVSA-N 1 1 334.420 0.309 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001055933864 770274057 /nfs/dbraw/zinc/27/40/57/770274057.db2.gz WOVBSZJVGQPIRO-MAUKXSAKSA-N 1 1 335.448 0.210 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)C#CC(C)C)C1 ZINC001055934021 770275112 /nfs/dbraw/zinc/27/51/12/770275112.db2.gz ZXRQZPJTMGQUKC-GOSISDBHSA-N 1 1 337.464 0.457 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@](CO)(NC(=O)C#CC3CC3)C2)C1 ZINC001055939196 770294138 /nfs/dbraw/zinc/29/41/38/770294138.db2.gz UBIMTRRBXFBFDG-QFBILLFUSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)[C@@H]1C ZINC000994239096 770377328 /nfs/dbraw/zinc/37/73/28/770377328.db2.gz JWSJTYDLAOXGRI-NHYWBVRUSA-N 1 1 325.368 0.786 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)[C@@H]1C ZINC000994239096 770377337 /nfs/dbraw/zinc/37/73/37/770377337.db2.gz JWSJTYDLAOXGRI-NHYWBVRUSA-N 1 1 325.368 0.786 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]21 ZINC001042140465 782841976 /nfs/dbraw/zinc/84/19/76/782841976.db2.gz AQEBWQBXPXMDMY-ZIAGYGMSSA-N 1 1 332.404 0.448 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]21 ZINC001042140620 782842694 /nfs/dbraw/zinc/84/26/94/782842694.db2.gz BGTVPQQPLSQKHO-CABCVRRESA-N 1 1 346.431 0.838 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC(C)C)C1 ZINC001056013438 770551184 /nfs/dbraw/zinc/55/11/84/770551184.db2.gz JLSGVYLETAOZBQ-SFHVURJKSA-N 1 1 346.431 0.321 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001019011704 770563991 /nfs/dbraw/zinc/56/39/91/770563991.db2.gz UVJHORIZBBRXLD-HNNXBMFYSA-N 1 1 329.444 0.803 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@]2(CO)CCCN(C(=O)C#CC3CC3)C2)C1 ZINC001056019375 770571162 /nfs/dbraw/zinc/57/11/62/770571162.db2.gz ICCQYELUVGATFJ-VQIMIIECSA-N 1 1 347.459 0.211 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC000994335046 770633627 /nfs/dbraw/zinc/63/36/27/770633627.db2.gz GHBYQKIUTXGXOS-STQMWFEESA-N 1 1 334.420 0.309 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC(C)(C)C1 ZINC001089365000 770665960 /nfs/dbraw/zinc/66/59/60/770665960.db2.gz JPXWZXPKIDUOBN-CYBMUJFWSA-N 1 1 331.420 0.853 20 30 ECEDMO O=C(C#CC1CC1)N1CCCO[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001078397713 782867507 /nfs/dbraw/zinc/86/75/07/782867507.db2.gz DIBXVESCPIGURR-OAHLLOKOSA-N 1 1 344.419 0.129 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@@H]1C ZINC000994429021 770794518 /nfs/dbraw/zinc/79/45/18/770794518.db2.gz LJJVKMJMWNXBFB-KBPBESRZSA-N 1 1 326.404 0.659 20 30 ECEDMO CC(C)n1nnnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001078398831 782870711 /nfs/dbraw/zinc/87/07/11/782870711.db2.gz UPTZUAZMLQKIGR-HNNXBMFYSA-N 1 1 346.435 0.375 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ncc(C#N)cc4F)C[C@H]32)C1 ZINC001056228802 771021534 /nfs/dbraw/zinc/02/15/34/771021534.db2.gz VBGHJPSZYRKYQM-CXTNEJHOSA-N 1 1 329.379 0.595 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031420699 771034065 /nfs/dbraw/zinc/03/40/65/771034065.db2.gz RGMAEQZNNJGWRQ-QGZVFWFLSA-N 1 1 346.406 0.718 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031420699 771034070 /nfs/dbraw/zinc/03/40/70/771034070.db2.gz RGMAEQZNNJGWRQ-QGZVFWFLSA-N 1 1 346.406 0.718 20 30 ECEDMO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@]23CC[N@@H+](C2)CCC3)nc1 ZINC001056268049 771063022 /nfs/dbraw/zinc/06/30/22/771063022.db2.gz SQHLFEQWUYEBSY-MGTHKWJCSA-N 1 1 337.427 0.990 20 30 ECEDMO N#CCSCC(=O)NCC[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC001123792428 771138680 /nfs/dbraw/zinc/13/86/80/771138680.db2.gz XHKQBAWZYMFSRQ-UHFFFAOYSA-N 1 1 337.430 0.219 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001056489432 771328713 /nfs/dbraw/zinc/32/87/13/771328713.db2.gz QYQIYBXLOUPJAU-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC)C2)nn1 ZINC001019483302 771346671 /nfs/dbraw/zinc/34/66/71/771346671.db2.gz MXSNJSNHPRJXES-LBPRGKRZSA-N 1 1 330.396 0.080 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cncc(C)c3)C2)C1=O ZINC001031593861 771365350 /nfs/dbraw/zinc/36/53/50/771365350.db2.gz LGEVBIHZERTNSF-MRXNPFEDSA-N 1 1 328.416 0.839 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031594610 771367785 /nfs/dbraw/zinc/36/77/85/771367785.db2.gz GSBCEXCAXDSREM-QGZVFWFLSA-N 1 1 346.406 0.576 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031594610 771367791 /nfs/dbraw/zinc/36/77/91/771367791.db2.gz GSBCEXCAXDSREM-QGZVFWFLSA-N 1 1 346.406 0.576 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC(C)(C)C1 ZINC001089507167 771374744 /nfs/dbraw/zinc/37/47/44/771374744.db2.gz OCYHGPVAAAXQDG-STQMWFEESA-N 1 1 334.420 0.215 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001056558591 771379722 /nfs/dbraw/zinc/37/97/22/771379722.db2.gz CEXBZFHLCDRDSG-IKGGRYGDSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC(C)(C)C2)nn1 ZINC001089515673 771383652 /nfs/dbraw/zinc/38/36/52/771383652.db2.gz YQMQZGOQXBPDGV-GFCCVEGCSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCCN(C(=O)CCOC)[C@@H]2C1 ZINC001056582229 771402239 /nfs/dbraw/zinc/40/22/39/771402239.db2.gz ZXWJZQNHMAKUJU-YESZJQIVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCCN(C(=O)CCOC)[C@@H]2C1 ZINC001056582229 771402242 /nfs/dbraw/zinc/40/22/42/771402242.db2.gz ZXWJZQNHMAKUJU-YESZJQIVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089527803 771404937 /nfs/dbraw/zinc/40/49/37/771404937.db2.gz UIZWTXHMOLWDCZ-CYBMUJFWSA-N 1 1 346.431 0.979 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089552394 771466453 /nfs/dbraw/zinc/46/64/53/771466453.db2.gz CJKLQCDFEKPLEN-CYBMUJFWSA-N 1 1 346.431 0.730 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC001089560801 771490767 /nfs/dbraw/zinc/49/07/67/771490767.db2.gz HMHMLHZJILCAMD-UONOGXRCSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC001089560801 771490771 /nfs/dbraw/zinc/49/07/71/771490771.db2.gz HMHMLHZJILCAMD-UONOGXRCSA-N 1 1 326.462 0.804 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001056679195 771505112 /nfs/dbraw/zinc/50/51/12/771505112.db2.gz GYWXBBJXOUXFEX-JKSUJKDBSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3coc(CC)n3)C2)C1=O ZINC001031624080 771509368 /nfs/dbraw/zinc/50/93/68/771509368.db2.gz RVGYZFZMRTTWMV-AWEZNQCLSA-N 1 1 332.404 0.686 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C=C(C)C)CCCO1 ZINC001019611643 771593174 /nfs/dbraw/zinc/59/31/74/771593174.db2.gz MRDGLROOCHNDAL-IRXDYDNUSA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C=C(C)C)CCCO1 ZINC001019611643 771593177 /nfs/dbraw/zinc/59/31/77/771593177.db2.gz MRDGLROOCHNDAL-IRXDYDNUSA-N 1 1 347.459 0.784 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001019673226 771701577 /nfs/dbraw/zinc/70/15/77/771701577.db2.gz HSGFWPHUWZPMFM-ZDUSSCGKSA-N 1 1 340.387 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCCN1C(=O)[C@H](C)OC ZINC001019728061 771742056 /nfs/dbraw/zinc/74/20/56/771742056.db2.gz UOMVOJGPXWSFEW-BBWFWOEESA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCCN1C(=O)[C@H](C)OC ZINC001019728061 771742058 /nfs/dbraw/zinc/74/20/58/771742058.db2.gz UOMVOJGPXWSFEW-BBWFWOEESA-N 1 1 349.475 0.958 20 30 ECEDMO CN(c1ncc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001056879919 771757012 /nfs/dbraw/zinc/75/70/12/771757012.db2.gz PNRJFHUVDDRDMA-HIFRSBDPSA-N 1 1 347.394 0.460 20 30 ECEDMO CN(c1ncc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001056879919 771757015 /nfs/dbraw/zinc/75/70/15/771757015.db2.gz PNRJFHUVDDRDMA-HIFRSBDPSA-N 1 1 347.394 0.460 20 30 ECEDMO CN(c1ccc(C#N)cn1)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001056879843 771757058 /nfs/dbraw/zinc/75/70/58/771757058.db2.gz NSCVGKPURYXCOR-LSDHHAIUSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ccc(C#N)cn1)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001056879843 771757061 /nfs/dbraw/zinc/75/70/61/771757061.db2.gz NSCVGKPURYXCOR-LSDHHAIUSA-N 1 1 329.404 0.321 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)nn3)C2)C1 ZINC001056930342 771821726 /nfs/dbraw/zinc/82/17/26/771821726.db2.gz HRHFGHQZTBNYHA-LSDHHAIUSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)nn3)C2)C1 ZINC001056930342 771821731 /nfs/dbraw/zinc/82/17/31/771821731.db2.gz HRHFGHQZTBNYHA-LSDHHAIUSA-N 1 1 344.419 0.106 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3cncc(C#N)n3)C2)C1 ZINC001057030223 771967905 /nfs/dbraw/zinc/96/79/05/771967905.db2.gz YSFZYYZMTWNZPT-HIFRSBDPSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001057052326 772000413 /nfs/dbraw/zinc/00/04/13/772000413.db2.gz DKRNIVSTQJXSSF-MGPQQGTHSA-N 1 1 328.420 0.726 20 30 ECEDMO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001057059490 772012701 /nfs/dbraw/zinc/01/27/01/772012701.db2.gz SWVPZLGMDIBEME-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C[C@H]21 ZINC001042254169 782989147 /nfs/dbraw/zinc/98/91/47/782989147.db2.gz IKABUWUXBBYOKZ-UKRRQHHQSA-N 1 1 346.431 0.197 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001020123896 772186332 /nfs/dbraw/zinc/18/63/32/772186332.db2.gz OXIKITBOXYKHHG-QAETUUGQSA-N 1 1 346.475 0.284 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001057157614 772188522 /nfs/dbraw/zinc/18/85/22/772188522.db2.gz KJPFVTYQSJAJDH-AWEZNQCLSA-N 1 1 328.420 0.729 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057168428 772208782 /nfs/dbraw/zinc/20/87/82/772208782.db2.gz GASOVNWXSYVKPT-JKSUJKDBSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@@H](C[NH2+]Cc3nncn3C)C2)C1 ZINC001078464645 782995416 /nfs/dbraw/zinc/99/54/16/782995416.db2.gz CZBFREZIBYQKFU-AWEZNQCLSA-N 1 1 333.436 0.879 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057234473 772318242 /nfs/dbraw/zinc/31/82/42/772318242.db2.gz DJBOOTAHWKZYKC-CQSZACIVSA-N 1 1 328.420 0.729 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2nccc(C)n2)CC1 ZINC001057252689 772347126 /nfs/dbraw/zinc/34/71/26/772347126.db2.gz HWVXUPSBQKIAHL-INIZCTEOSA-N 1 1 327.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2nccc(C)n2)CC1 ZINC001057252689 772347132 /nfs/dbraw/zinc/34/71/32/772347132.db2.gz HWVXUPSBQKIAHL-INIZCTEOSA-N 1 1 327.432 0.921 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)C1 ZINC001020249734 772349031 /nfs/dbraw/zinc/34/90/31/772349031.db2.gz HZPCXOHSOPZLAA-CWRNSKLLSA-N 1 1 333.432 0.226 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)C1 ZINC001020249734 772349039 /nfs/dbraw/zinc/34/90/39/772349039.db2.gz HZPCXOHSOPZLAA-CWRNSKLLSA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(c3cncc(C#N)n3)CC2)O1 ZINC001057255037 772350562 /nfs/dbraw/zinc/35/05/62/772350562.db2.gz QEXRNMRXFXGJIB-UKRRQHHQSA-N 1 1 344.419 0.106 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(c3cncc(C#N)n3)CC2)O1 ZINC001057255037 772350568 /nfs/dbraw/zinc/35/05/68/772350568.db2.gz QEXRNMRXFXGJIB-UKRRQHHQSA-N 1 1 344.419 0.106 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001042266347 783007554 /nfs/dbraw/zinc/00/75/54/783007554.db2.gz MQPVAPRNGZUBIX-UKRRQHHQSA-N 1 1 333.432 0.928 20 30 ECEDMO Cc1nc(NC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)ccc1C#N ZINC001057303180 772432487 /nfs/dbraw/zinc/43/24/87/772432487.db2.gz HGGQHOYJLOINCX-MRXNPFEDSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1nc(NC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)ccc1C#N ZINC001057303180 772432491 /nfs/dbraw/zinc/43/24/91/772432491.db2.gz HGGQHOYJLOINCX-MRXNPFEDSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1nc(NC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)ccc1C#N ZINC001057303179 772432733 /nfs/dbraw/zinc/43/27/33/772432733.db2.gz HGGQHOYJLOINCX-INIZCTEOSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1nc(NC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)ccc1C#N ZINC001057303179 772432737 /nfs/dbraw/zinc/43/27/37/772432737.db2.gz HGGQHOYJLOINCX-INIZCTEOSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001057445196 772622285 /nfs/dbraw/zinc/62/22/85/772622285.db2.gz LIRTWKMGDVBVII-UHFFFAOYSA-N 1 1 339.480 0.705 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(CNc3ccnc(C#N)n3)CC2)C1 ZINC001057501205 772690030 /nfs/dbraw/zinc/69/00/30/772690030.db2.gz APZYNWSXRCXIAB-CQSZACIVSA-N 1 1 328.420 0.372 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057536451 772731720 /nfs/dbraw/zinc/73/17/20/772731720.db2.gz YJSNPSSJORAXMC-QGZVFWFLSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001057636377 772843941 /nfs/dbraw/zinc/84/39/41/772843941.db2.gz QSGUUZJHJTYOOS-HNNXBMFYSA-N 1 1 335.448 0.069 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001057656131 772872455 /nfs/dbraw/zinc/87/24/55/772872455.db2.gz YEUAJSNQWYASRF-NVXWUHKLSA-N 1 1 343.431 0.499 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001057656131 772872457 /nfs/dbraw/zinc/87/24/57/772872457.db2.gz YEUAJSNQWYASRF-NVXWUHKLSA-N 1 1 343.431 0.499 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001057694840 772919146 /nfs/dbraw/zinc/91/91/46/772919146.db2.gz PXVPUCPQTRZSHU-OAHLLOKOSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001057697728 772923069 /nfs/dbraw/zinc/92/30/69/772923069.db2.gz XKPJJFJUQWLNSU-UHFFFAOYSA-N 1 1 336.436 0.731 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057718836 772942022 /nfs/dbraw/zinc/94/20/22/772942022.db2.gz UQMKZSKSXURBIY-IRXDYDNUSA-N 1 1 349.475 0.744 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)C ZINC001057854256 773075141 /nfs/dbraw/zinc/07/51/41/773075141.db2.gz BQRYUSBIWIDWEZ-MRXNPFEDSA-N 1 1 337.464 0.457 20 30 ECEDMO C#Cc1ccc(C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C)cc1 ZINC001057864058 773090275 /nfs/dbraw/zinc/09/02/75/773090275.db2.gz APAYQCYSBTWVNI-UHFFFAOYSA-N 1 1 345.443 0.559 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057875211 773111336 /nfs/dbraw/zinc/11/13/36/773111336.db2.gz MVJBDSYTNZBKFF-QGZVFWFLSA-N 1 1 349.475 0.600 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057946126 773246715 /nfs/dbraw/zinc/24/67/15/773246715.db2.gz SFBBDOLVNFJYAL-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C)CC=CC1 ZINC001057962442 773295249 /nfs/dbraw/zinc/29/52/49/773295249.db2.gz WOHDJJUEHAHIOH-INIZCTEOSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C)CC=CC1 ZINC001057962442 773295253 /nfs/dbraw/zinc/29/52/53/773295253.db2.gz WOHDJJUEHAHIOH-INIZCTEOSA-N 1 1 347.459 0.377 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CCN(c3ccnc(C#N)n3)CC2)CC[N@H+]1C ZINC001057964872 773297721 /nfs/dbraw/zinc/29/77/21/773297721.db2.gz MJWFDARUBMIYQC-TZMCWYRMSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2cncc(C#N)n2)CC1 ZINC001057970303 773309534 /nfs/dbraw/zinc/30/95/34/773309534.db2.gz JWZDRNWUTCUIIV-INIZCTEOSA-N 1 1 338.415 0.531 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2cncc(C#N)n2)CC1 ZINC001057970303 773309542 /nfs/dbraw/zinc/30/95/42/773309542.db2.gz JWZDRNWUTCUIIV-INIZCTEOSA-N 1 1 338.415 0.531 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058040981 773411293 /nfs/dbraw/zinc/41/12/93/773411293.db2.gz JLQASLDHRCQPCR-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCN(c2ccc(C#N)nc2)CC1 ZINC001058043390 773416560 /nfs/dbraw/zinc/41/65/60/773416560.db2.gz MFCHXHJGKAYTHF-KRWDZBQOSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCN(c2ccc(C#N)nc2)CC1 ZINC001058043390 773416561 /nfs/dbraw/zinc/41/65/61/773416561.db2.gz MFCHXHJGKAYTHF-KRWDZBQOSA-N 1 1 343.431 0.711 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058134286 773604575 /nfs/dbraw/zinc/60/45/75/773604575.db2.gz ADTGUCWRZAVRPA-ZFWWWQNUSA-N 1 1 344.419 0.072 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058134286 773604576 /nfs/dbraw/zinc/60/45/76/773604576.db2.gz ADTGUCWRZAVRPA-ZFWWWQNUSA-N 1 1 344.419 0.072 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058167761 773684364 /nfs/dbraw/zinc/68/43/64/773684364.db2.gz LHSWVGFHQGTKPJ-UONOGXRCSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058167761 773684367 /nfs/dbraw/zinc/68/43/67/773684367.db2.gz LHSWVGFHQGTKPJ-UONOGXRCSA-N 1 1 344.419 0.154 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)C2)O1 ZINC001058264381 773876812 /nfs/dbraw/zinc/87/68/12/773876812.db2.gz WOJCLAGZLAHJPX-FRFSOERESA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)C2)O1 ZINC001058264381 773876817 /nfs/dbraw/zinc/87/68/17/773876817.db2.gz WOJCLAGZLAHJPX-FRFSOERESA-N 1 1 343.431 0.757 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058304244 773938933 /nfs/dbraw/zinc/93/89/33/773938933.db2.gz ZIVBBANSHVSONE-ZIAGYGMSSA-N 1 1 325.453 0.333 20 30 ECEDMO C#CCCCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001058307276 773944824 /nfs/dbraw/zinc/94/48/24/773944824.db2.gz DOBXWGBKFUWNGT-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058373502 774055709 /nfs/dbraw/zinc/05/57/09/774055709.db2.gz KADLDYJUDVKVCY-CHWSQXEVSA-N 1 1 328.420 0.557 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058376721 774060696 /nfs/dbraw/zinc/06/06/96/774060696.db2.gz UFDNRJFSJRFNDG-GJZGRUSLSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058376721 774060704 /nfs/dbraw/zinc/06/07/04/774060704.db2.gz UFDNRJFSJRFNDG-GJZGRUSLSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058376843 774061061 /nfs/dbraw/zinc/06/10/61/774061061.db2.gz XOENVSRRMMGSMM-LSDHHAIUSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058376843 774061064 /nfs/dbraw/zinc/06/10/64/774061064.db2.gz XOENVSRRMMGSMM-LSDHHAIUSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cc(C)ncc3C#N)C2)C1 ZINC001058376638 774061123 /nfs/dbraw/zinc/06/11/23/774061123.db2.gz RTCFRACBNKYKGG-RDJZCZTQSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cc(C)ncc3C#N)C2)C1 ZINC001058376638 774061126 /nfs/dbraw/zinc/06/11/26/774061126.db2.gz RTCFRACBNKYKGG-RDJZCZTQSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058381368 774068307 /nfs/dbraw/zinc/06/83/07/774068307.db2.gz GUSLAYGDYNISGC-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)C1 ZINC001040636309 783147801 /nfs/dbraw/zinc/14/78/01/783147801.db2.gz GZEMJCSKVALLCQ-BFHYXJOUSA-N 1 1 326.404 0.337 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058446854 774199519 /nfs/dbraw/zinc/19/95/19/774199519.db2.gz KREHNSUOBYGKPI-KGLIPLIRSA-N 1 1 328.420 0.916 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058464262 774234591 /nfs/dbraw/zinc/23/45/91/774234591.db2.gz RTYSKEQTHQIPJI-CVEARBPZSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058466517 774239650 /nfs/dbraw/zinc/23/96/50/774239650.db2.gz PJLQSSPRPSEHCD-LSDHHAIUSA-N 1 1 325.453 0.478 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058466688 774240286 /nfs/dbraw/zinc/24/02/86/774240286.db2.gz SUZUVPIUOKXPHR-ARFHVFGLSA-N 1 1 339.480 0.866 20 30 ECEDMO N#Cc1nccnc1N1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001058469852 774246057 /nfs/dbraw/zinc/24/60/57/774246057.db2.gz SFVJLBPWCKZYKI-JSGCOSHPSA-N 1 1 337.387 0.817 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058521718 774353946 /nfs/dbraw/zinc/35/39/46/774353946.db2.gz RWXRFNJKZAYEPT-JKSUJKDBSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058521718 774353954 /nfs/dbraw/zinc/35/39/54/774353954.db2.gz RWXRFNJKZAYEPT-JKSUJKDBSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]c(C)n3)C2)nn1 ZINC001058567555 774450434 /nfs/dbraw/zinc/45/04/34/774450434.db2.gz YXAFBFLVKUDQRS-CYBMUJFWSA-N 1 1 327.392 0.880 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C#CC3CC3)C2)CC[N@H+]1C ZINC001040652285 783185452 /nfs/dbraw/zinc/18/54/52/783185452.db2.gz FVFLWKXMZBOVRZ-URLQWDBASA-N 1 1 347.459 0.210 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058624815 774562658 /nfs/dbraw/zinc/56/26/58/774562658.db2.gz KOUWFSHDAUPSMM-HUUCEWRRSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1)c1nnnn1C ZINC001045005679 774828228 /nfs/dbraw/zinc/82/82/28/774828228.db2.gz RQDWZKGZBPISCY-MFKMUULPSA-N 1 1 328.380 0.365 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(c4ccnc(C#N)n4)[C@H]3C2)C1 ZINC001045041449 774886176 /nfs/dbraw/zinc/88/61/76/774886176.db2.gz QLTXRNRHVHFMSS-KKUMJFAQSA-N 1 1 340.431 0.727 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001045073109 774935697 /nfs/dbraw/zinc/93/56/97/774935697.db2.gz ZHQPVVLXPMCGFB-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ncnn1CC ZINC001045208205 775149470 /nfs/dbraw/zinc/14/94/70/775149470.db2.gz XPFYFPUQHMBMRC-ZNMIVQPWSA-N 1 1 333.436 0.970 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001043876558 775181143 /nfs/dbraw/zinc/18/11/43/775181143.db2.gz XBFPDGBWCGLEJV-KFWWJZLASA-N 1 1 329.404 0.022 20 30 ECEDMO CCc1cc(N2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001043876829 775182144 /nfs/dbraw/zinc/18/21/44/775182144.db2.gz GIJSDDYLRWKISN-CABCVRRESA-N 1 1 340.387 0.527 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)c1 ZINC001070022554 790354601 /nfs/dbraw/zinc/35/46/01/790354601.db2.gz WPPMHELFWJUKQJ-SJORKVTESA-N 1 1 336.399 0.720 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070023174 790358523 /nfs/dbraw/zinc/35/85/23/790358523.db2.gz GBEIZXQRRPBZKP-KFWWJZLASA-N 1 1 346.435 0.255 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O ZINC001043991628 775472925 /nfs/dbraw/zinc/47/29/25/775472925.db2.gz CTIFBDLUEDKHEH-PVAVHDDUSA-N 1 1 343.431 0.493 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044007115 775497548 /nfs/dbraw/zinc/49/75/48/775497548.db2.gz FOLQBWSUVSUCFX-AWEZNQCLSA-N 1 1 337.464 0.620 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(C#N)nn2)C1 ZINC001045431109 775604363 /nfs/dbraw/zinc/60/43/63/775604363.db2.gz XBKXTGOIZIUICO-RBSFLKMASA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(C#N)nn2)C1 ZINC001045431109 775604368 /nfs/dbraw/zinc/60/43/68/775604368.db2.gz XBKXTGOIZIUICO-RBSFLKMASA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(c3ncc(C#N)cc3F)C[C@@H]2O)C1 ZINC001044063012 775621029 /nfs/dbraw/zinc/62/10/29/775621029.db2.gz TVGHKWVZBJUCDE-GLQYFDAESA-N 1 1 347.394 0.100 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027082 790376317 /nfs/dbraw/zinc/37/63/17/790376317.db2.gz QYZASOLFPYJHMJ-XHSDSOJGSA-N 1 1 330.436 0.127 20 30 ECEDMO CC(C)c1[nH+]ccn1CCC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 ZINC001045551795 775780265 /nfs/dbraw/zinc/78/02/65/775780265.db2.gz MFWTZKYXJJZOAE-CYBMUJFWSA-N 1 1 347.419 0.246 20 30 ECEDMO Cc1cc(NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C#N)cn1 ZINC001068494341 790403541 /nfs/dbraw/zinc/40/35/41/790403541.db2.gz QFNNAUVVLAWYPJ-DZKIICNBSA-N 1 1 327.432 0.942 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001045639934 775947210 /nfs/dbraw/zinc/94/72/10/775947210.db2.gz VPEUWJMTTLVBEG-CVEARBPZSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001045639934 775947220 /nfs/dbraw/zinc/94/72/20/775947220.db2.gz VPEUWJMTTLVBEG-CVEARBPZSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCOCC(=O)NC1(CNC(=O)C[N@H+](C)CCC)CCOCC1 ZINC001070036514 790408394 /nfs/dbraw/zinc/40/83/94/790408394.db2.gz MBQHGFMSDYKEQW-UHFFFAOYSA-N 1 1 341.452 0.312 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3nccnc3C#N)C2)C1 ZINC001068497488 790411173 /nfs/dbraw/zinc/41/11/73/790411173.db2.gz VNSOVOLJMRVQNF-YDHLFZDLSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3nccnc3C#N)C2)C1 ZINC001068497488 790411178 /nfs/dbraw/zinc/41/11/78/790411178.db2.gz VNSOVOLJMRVQNF-YDHLFZDLSA-N 1 1 344.419 0.376 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CCC1=O ZINC001045735009 776108396 /nfs/dbraw/zinc/10/83/96/776108396.db2.gz JVAHLBHQDBEIDF-MCIONIFRSA-N 1 1 332.404 0.360 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001044404565 776279801 /nfs/dbraw/zinc/27/98/01/776279801.db2.gz HELIOCJPTVBOEG-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001070046793 790442377 /nfs/dbraw/zinc/44/23/77/790442377.db2.gz OTLWFRSLNIXRLM-CABCVRRESA-N 1 1 327.392 0.173 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001070046793 790442385 /nfs/dbraw/zinc/44/23/85/790442385.db2.gz OTLWFRSLNIXRLM-CABCVRRESA-N 1 1 327.392 0.173 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001044484283 776346050 /nfs/dbraw/zinc/34/60/50/776346050.db2.gz KRNUVXPLODLYHI-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046509 790442659 /nfs/dbraw/zinc/44/26/59/790442659.db2.gz AOHLFAVSIUNSST-SJORKVTESA-N 1 1 344.463 0.375 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]2O)C1 ZINC001044546387 776417003 /nfs/dbraw/zinc/41/70/03/776417003.db2.gz DHXJCIXSYREWCV-VMGRFDJRSA-N 1 1 346.406 0.705 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2nc(CC)oc2C)[C@@H](n2ccnn2)C1 ZINC001070050755 790454439 /nfs/dbraw/zinc/45/44/39/790454439.db2.gz QSPKWCOIVBHWDJ-KGLIPLIRSA-N 1 1 342.403 0.816 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nc(CC)oc2C)[C@@H](n2ccnn2)C1 ZINC001070050755 790454444 /nfs/dbraw/zinc/45/44/44/790454444.db2.gz QSPKWCOIVBHWDJ-KGLIPLIRSA-N 1 1 342.403 0.816 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001079628702 776550897 /nfs/dbraw/zinc/55/08/97/776550897.db2.gz OWWKLTKAAGYZBA-DNVCBOLYSA-N 1 1 339.439 0.953 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001079628702 776550906 /nfs/dbraw/zinc/55/09/06/776550906.db2.gz OWWKLTKAAGYZBA-DNVCBOLYSA-N 1 1 339.439 0.953 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704426 776731041 /nfs/dbraw/zinc/73/10/41/776731041.db2.gz YZVKCXNYAMTBSD-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704426 776731045 /nfs/dbraw/zinc/73/10/45/776731045.db2.gz YZVKCXNYAMTBSD-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001079742760 776786937 /nfs/dbraw/zinc/78/69/37/776786937.db2.gz KLRJKYKNMMYDNS-KRWDZBQOSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001079773272 776841490 /nfs/dbraw/zinc/84/14/90/776841490.db2.gz DYALTGQVUNNQFL-OAHLLOKOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001079775139 776847971 /nfs/dbraw/zinc/84/79/71/776847971.db2.gz UGOALQKTGDDRKN-XHSDSOJGSA-N 1 1 349.475 0.814 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001079778136 776856446 /nfs/dbraw/zinc/85/64/46/776856446.db2.gz QHGMBBKUOGWYRR-AWEZNQCLSA-N 1 1 335.448 0.568 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001070068083 790497081 /nfs/dbraw/zinc/49/70/81/790497081.db2.gz FXBLRRUJSLHILE-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001070068083 790497086 /nfs/dbraw/zinc/49/70/86/790497086.db2.gz FXBLRRUJSLHILE-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1C ZINC001079878167 777011615 /nfs/dbraw/zinc/01/16/15/777011615.db2.gz JVGSLNPBLQDFQU-XPKDYRNWSA-N 1 1 331.420 0.412 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1C ZINC001079878167 777011620 /nfs/dbraw/zinc/01/16/20/777011620.db2.gz JVGSLNPBLQDFQU-XPKDYRNWSA-N 1 1 331.420 0.412 20 30 ECEDMO C=CCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001079900142 777046182 /nfs/dbraw/zinc/04/61/82/777046182.db2.gz VKFFYWHOHCUDPI-ZBFHGGJFSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC3CC3)c2)[C@@H](n2ccnn2)C1 ZINC001070071877 790508180 /nfs/dbraw/zinc/50/81/80/790508180.db2.gz OVJUMSWLGWMYNF-CVEARBPZSA-N 1 1 341.419 0.726 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC3CC3)c2)[C@@H](n2ccnn2)C1 ZINC001070071877 790508181 /nfs/dbraw/zinc/50/81/81/790508181.db2.gz OVJUMSWLGWMYNF-CVEARBPZSA-N 1 1 341.419 0.726 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079983393 777191615 /nfs/dbraw/zinc/19/16/15/777191615.db2.gz XBMIFOGYMASISP-AWEZNQCLSA-N 1 1 325.453 0.977 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001068539768 790518283 /nfs/dbraw/zinc/51/82/83/790518283.db2.gz RTCJVRFUXLRJAI-HZPDHXFCSA-N 1 1 347.459 0.760 20 30 ECEDMO CCN(C(=O)Cn1c[nH+]cc1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001080105028 777396178 /nfs/dbraw/zinc/39/61/78/777396178.db2.gz ABFQUMUFOQBYSS-UHFFFAOYSA-N 1 1 340.387 0.764 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080141978 777456943 /nfs/dbraw/zinc/45/69/43/777456943.db2.gz ZNBUAGNWOVUYNM-HNNXBMFYSA-N 1 1 335.448 0.427 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2OC)[C@@H](n2ccnn2)C1 ZINC001070084472 790547672 /nfs/dbraw/zinc/54/76/72/790547672.db2.gz DVHVNMINAMASJV-KGLIPLIRSA-N 1 1 345.407 0.252 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2OC)[C@@H](n2ccnn2)C1 ZINC001070084472 790547681 /nfs/dbraw/zinc/54/76/81/790547681.db2.gz DVHVNMINAMASJV-KGLIPLIRSA-N 1 1 345.407 0.252 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001043091140 777709499 /nfs/dbraw/zinc/70/94/99/777709499.db2.gz PJCHUKQKAGARKT-UHFFFAOYSA-N 1 1 348.447 0.908 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043130293 777787814 /nfs/dbraw/zinc/78/78/14/777787814.db2.gz MIQUDZIWZJIOPP-UHFFFAOYSA-N 1 1 334.420 0.483 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458638 777890516 /nfs/dbraw/zinc/89/05/16/777890516.db2.gz DEXJGDSQSUXXPI-WBMYTEFPSA-N 1 1 332.429 0.678 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458638 777890524 /nfs/dbraw/zinc/89/05/24/777890524.db2.gz DEXJGDSQSUXXPI-WBMYTEFPSA-N 1 1 332.429 0.678 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001080464069 777897353 /nfs/dbraw/zinc/89/73/53/777897353.db2.gz FHLMFDPLRCJTOZ-DFBGVHRSSA-N 1 1 345.447 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001080464069 777897372 /nfs/dbraw/zinc/89/73/72/777897372.db2.gz FHLMFDPLRCJTOZ-DFBGVHRSSA-N 1 1 345.447 0.864 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001043211358 777973498 /nfs/dbraw/zinc/97/34/98/777973498.db2.gz DQSAHEALOXTCCP-BMFZPTHFSA-N 1 1 343.431 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001043211358 777973505 /nfs/dbraw/zinc/97/35/05/777973505.db2.gz DQSAHEALOXTCCP-BMFZPTHFSA-N 1 1 343.431 0.933 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001043235386 778025414 /nfs/dbraw/zinc/02/54/14/778025414.db2.gz OPOXGSFMRHZOAF-HZPDHXFCSA-N 1 1 347.459 0.496 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1nccnc1C#N ZINC001043244434 778038839 /nfs/dbraw/zinc/03/88/39/778038839.db2.gz FJRLRSWUPIAXPP-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)CC[N@H+]1C ZINC001043262899 778064917 /nfs/dbraw/zinc/06/49/17/778064917.db2.gz YGOXGEQFXHEJAZ-ZIAGYGMSSA-N 1 1 335.448 0.066 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070100077 790603744 /nfs/dbraw/zinc/60/37/44/790603744.db2.gz CZFTUKFPXMGXRT-KGLIPLIRSA-N 1 1 342.403 0.837 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070100077 790603747 /nfs/dbraw/zinc/60/37/47/790603747.db2.gz CZFTUKFPXMGXRT-KGLIPLIRSA-N 1 1 342.403 0.837 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001043430404 778316612 /nfs/dbraw/zinc/31/66/12/778316612.db2.gz GATFEOOQVXBAMT-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 ZINC001043461770 778372028 /nfs/dbraw/zinc/37/20/28/778372028.db2.gz DDVNDEYWSCZEKH-ZIAGYGMSSA-N 1 1 336.436 0.098 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001043462336 778373915 /nfs/dbraw/zinc/37/39/15/778373915.db2.gz ITBLWCMEEBDERD-INIZCTEOSA-N 1 1 349.475 0.598 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 ZINC001068588339 790643008 /nfs/dbraw/zinc/64/30/08/790643008.db2.gz FNHUSARNYFVHKW-BHPKHCPMSA-N 1 1 328.420 0.853 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001043662441 778684336 /nfs/dbraw/zinc/68/43/36/778684336.db2.gz VHTHJFGKYCRHTF-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001068590761 790651970 /nfs/dbraw/zinc/65/19/70/790651970.db2.gz ABNJMFYCALMPAJ-IHRRRGAJSA-N 1 1 328.420 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 ZINC001068615073 790715007 /nfs/dbraw/zinc/71/50/07/790715007.db2.gz KSYYVKZLKANSNL-DZKIICNBSA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 ZINC001068615073 790715018 /nfs/dbraw/zinc/71/50/18/790715018.db2.gz KSYYVKZLKANSNL-DZKIICNBSA-N 1 1 338.415 0.753 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@H](C)C#N)O2 ZINC001068622345 790736626 /nfs/dbraw/zinc/73/66/26/790736626.db2.gz DMJZKTGLURTFSH-TZMCWYRMSA-N 1 1 345.403 0.227 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@H]21 ZINC001042271483 779951878 /nfs/dbraw/zinc/95/18/78/779951878.db2.gz YYKCRKWLZDBEBJ-LSDHHAIUSA-N 1 1 346.431 0.426 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccnc4nc(C)nn43)C[C@H]21 ZINC001042312421 780053029 /nfs/dbraw/zinc/05/30/29/780053029.db2.gz NSGINBLSNYJOJO-GOEBONIOSA-N 1 1 338.415 0.992 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001042345038 780108492 /nfs/dbraw/zinc/10/84/92/780108492.db2.gz HCECYEHWOHIJLY-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C ZINC001042358821 780140513 /nfs/dbraw/zinc/14/05/13/780140513.db2.gz PWHXFCAZYRMSRC-IAQYHMDHSA-N 1 1 339.403 0.803 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(-n4cncn4)c3)C[C@H]21 ZINC001042384127 780184345 /nfs/dbraw/zinc/18/43/45/780184345.db2.gz JENAXRNJSXTZIY-GDBMZVCRSA-N 1 1 336.399 0.832 20 30 ECEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)sn1 ZINC001070157166 790778575 /nfs/dbraw/zinc/77/85/75/790778575.db2.gz MDMNRONXOMKVRZ-HONMWMINSA-N 1 1 345.432 0.744 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001042502579 780359372 /nfs/dbraw/zinc/35/93/72/780359372.db2.gz NPEAVEVHBJNBOR-BFHYXJOUSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1C ZINC001042621261 780540953 /nfs/dbraw/zinc/54/09/53/780540953.db2.gz MYSKCJMYYHSIEJ-YUELXQCFSA-N 1 1 331.395 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1C ZINC001042621261 780540969 /nfs/dbraw/zinc/54/09/69/780540969.db2.gz MYSKCJMYYHSIEJ-YUELXQCFSA-N 1 1 331.395 0.654 20 30 ECEDMO C#CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001078934033 780626919 /nfs/dbraw/zinc/62/69/19/780626919.db2.gz JZFFYCQRJMZLSO-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001078934033 780626926 /nfs/dbraw/zinc/62/69/26/780626926.db2.gz JZFFYCQRJMZLSO-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001042740877 780726709 /nfs/dbraw/zinc/72/67/09/780726709.db2.gz JIQFJPKDHALTNV-BBWFWOEESA-N 1 1 348.447 0.368 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnon2)C1 ZINC001079146204 780813181 /nfs/dbraw/zinc/81/31/81/780813181.db2.gz YTBVGZWADHXXNY-IAGOWNOFSA-N 1 1 340.383 0.780 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnon2)C1 ZINC001079146204 780813189 /nfs/dbraw/zinc/81/31/89/780813189.db2.gz YTBVGZWADHXXNY-IAGOWNOFSA-N 1 1 340.383 0.780 20 30 ECEDMO C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079146879 780813714 /nfs/dbraw/zinc/81/37/14/780813714.db2.gz MIJHQIAAWWISMT-GUDVDZBRSA-N 1 1 341.455 0.645 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)Cc3ccn[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231411 780906610 /nfs/dbraw/zinc/90/66/10/780906610.db2.gz JRBDMELMQUTAOV-JKSUJKDBSA-N 1 1 328.416 0.525 20 30 ECEDMO CN(c1ccncc1C#N)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001068664143 790836714 /nfs/dbraw/zinc/83/67/14/790836714.db2.gz VLGORZIZNCWLQZ-QGZVFWFLSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(c1ccncc1C#N)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001068664143 790836725 /nfs/dbraw/zinc/83/67/25/790836725.db2.gz VLGORZIZNCWLQZ-QGZVFWFLSA-N 1 1 343.431 0.711 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cccnc3)C2)C1=O ZINC001079361634 781028994 /nfs/dbraw/zinc/02/89/94/781028994.db2.gz YUZOTEJFSLOXNE-FVQBIDKESA-N 1 1 328.416 0.919 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cccnc3)C2)C1=O ZINC001079361634 781029001 /nfs/dbraw/zinc/02/90/01/781029001.db2.gz YUZOTEJFSLOXNE-FVQBIDKESA-N 1 1 328.416 0.919 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042939576 781070738 /nfs/dbraw/zinc/07/07/38/781070738.db2.gz CABLAYRXAGLLBR-HNNXBMFYSA-N 1 1 335.448 0.208 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)no3)C2)C1=O ZINC001079412925 781095714 /nfs/dbraw/zinc/09/57/14/781095714.db2.gz HRJKSSWGTRTGCW-BNOWGMLFSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)no3)C2)C1=O ZINC001079412925 781095718 /nfs/dbraw/zinc/09/57/18/781095718.db2.gz HRJKSSWGTRTGCW-BNOWGMLFSA-N 1 1 332.404 0.820 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(C(C)C)o2)C1 ZINC001042960266 781102711 /nfs/dbraw/zinc/10/27/11/781102711.db2.gz MORKCWHFGOFKMN-HNNXBMFYSA-N 1 1 345.447 0.933 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(C(C)C)o2)C1 ZINC001042960266 781102713 /nfs/dbraw/zinc/10/27/13/781102713.db2.gz MORKCWHFGOFKMN-HNNXBMFYSA-N 1 1 345.447 0.933 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H]2CCN(C(C)C)C2=O)C1 ZINC001042962710 781105680 /nfs/dbraw/zinc/10/56/80/781105680.db2.gz JOXGCGGFMXMDGO-DLBZAZTESA-N 1 1 346.475 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H]2CCN(C(C)C)C2=O)C1 ZINC001042962710 781105684 /nfs/dbraw/zinc/10/56/84/781105684.db2.gz JOXGCGGFMXMDGO-DLBZAZTESA-N 1 1 346.475 0.236 20 30 ECEDMO O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001042964618 781109456 /nfs/dbraw/zinc/10/94/56/781109456.db2.gz LJMQRZXGQSHSLL-HOTGVXAUSA-N 1 1 345.443 0.106 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001079517635 781212536 /nfs/dbraw/zinc/21/25/36/781212536.db2.gz MYUYLKPRJJXDGP-YUELXQCFSA-N 1 1 331.420 0.176 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)nc1 ZINC001077631398 781386244 /nfs/dbraw/zinc/38/62/44/781386244.db2.gz CZDUEKPYNGFSPB-BBRMVZONSA-N 1 1 328.416 0.782 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2O)C1 ZINC001077644016 781415389 /nfs/dbraw/zinc/41/53/89/781415389.db2.gz NAMQIMHNLYYMQH-RBSFLKMASA-N 1 1 335.448 0.420 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C2)C1 ZINC001041407489 781447583 /nfs/dbraw/zinc/44/75/83/781447583.db2.gz HVBYQYXQMSGDQO-MRXNPFEDSA-N 1 1 336.457 0.369 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O ZINC001077676721 781483946 /nfs/dbraw/zinc/48/39/46/781483946.db2.gz GYMJDSNQNNZRQL-DAXOMENPSA-N 1 1 348.472 0.765 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001077680556 781498726 /nfs/dbraw/zinc/49/87/26/781498726.db2.gz NAWMIZPSDJGSMP-UKRRQHHQSA-N 1 1 348.447 0.264 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(=O)n(CCOC)n3)C2)C1 ZINC001041455756 781551918 /nfs/dbraw/zinc/55/19/18/781551918.db2.gz SVMSFPSDLHMHKJ-SFHVURJKSA-N 1 1 346.431 0.614 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001041505185 781651875 /nfs/dbraw/zinc/65/18/75/781651875.db2.gz JMWFXDREDHEANX-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNc3ncccc3C#N)C2)C1 ZINC001041505011 781652017 /nfs/dbraw/zinc/65/20/17/781652017.db2.gz IFJISROKAVOSHN-CVEARBPZSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNc3ccncc3C#N)C2)C1 ZINC001041507408 781657102 /nfs/dbraw/zinc/65/71/02/781657102.db2.gz ZWRKRQLSWNFSKB-HOCLYGCPSA-N 1 1 343.431 0.356 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C2)C1 ZINC001041512700 781672838 /nfs/dbraw/zinc/67/28/38/781672838.db2.gz OGCJECLDRIAIKC-JZXOWHBKSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C2)C1 ZINC001041528276 781706187 /nfs/dbraw/zinc/70/61/87/781706187.db2.gz RKTYNZBDOMMLAE-GOSISDBHSA-N 1 1 328.416 0.568 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041540266 781729982 /nfs/dbraw/zinc/72/99/82/781729982.db2.gz LVCVOELGBDHVQZ-INIZCTEOSA-N 1 1 340.855 0.095 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041540266 781729986 /nfs/dbraw/zinc/72/99/86/781729986.db2.gz LVCVOELGBDHVQZ-INIZCTEOSA-N 1 1 340.855 0.095 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001041603684 781835326 /nfs/dbraw/zinc/83/53/26/781835326.db2.gz XQCAFDZKUVMSPG-BEFAXECRSA-N 1 1 341.459 0.868 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(c2ccc(C#N)cn2)CCCO1 ZINC001039908166 783258106 /nfs/dbraw/zinc/25/81/06/783258106.db2.gz SCGIYRRINIIMML-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(c3ncccc3C#N)CCCO2)C1 ZINC001039915168 783274893 /nfs/dbraw/zinc/27/48/93/783274893.db2.gz LOFUYFMOZFLECX-CVEARBPZSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040728101 783338552 /nfs/dbraw/zinc/33/85/52/783338552.db2.gz WUIYNIXSQCKEIP-IIDMSEBBSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001040760588 783379803 /nfs/dbraw/zinc/37/98/03/783379803.db2.gz OTUFMNVKNBZWCB-CXAGYDPISA-N 1 1 338.452 0.204 20 30 ECEDMO C=CCCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040811200 783484897 /nfs/dbraw/zinc/48/48/97/783484897.db2.gz BHNZXSVXYKERIC-BEFAXECRSA-N 1 1 349.475 0.764 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001040822020 783507922 /nfs/dbraw/zinc/50/79/22/783507922.db2.gz IDDFZLDWNHVFGG-OFQRWUPVSA-N 1 1 340.431 0.870 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ocnc2C)C[C@@H]1n1ccnn1 ZINC001070166993 783581866 /nfs/dbraw/zinc/58/18/66/783581866.db2.gz IFNPPTBOWRKAOL-NEPJUHHUSA-N 1 1 336.783 0.982 20 30 ECEDMO CC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001037818563 783607667 /nfs/dbraw/zinc/60/76/67/783607667.db2.gz HTLMHSUZTNXCRL-YPMHNXCESA-N 1 1 342.407 0.440 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1n1ccnn1 ZINC001070191728 783625004 /nfs/dbraw/zinc/62/50/04/783625004.db2.gz OMXXJRBGKRWDKF-OLZOCXBDSA-N 1 1 339.827 0.677 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070208923 783659858 /nfs/dbraw/zinc/65/98/58/783659858.db2.gz DXKBHWDOMHYXHK-XHSDSOJGSA-N 1 1 345.451 0.406 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070232865 783708973 /nfs/dbraw/zinc/70/89/73/783708973.db2.gz TXCSVNUPWVVUHX-KBPBESRZSA-N 1 1 336.436 0.269 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 ZINC001070233723 783711435 /nfs/dbraw/zinc/71/14/35/783711435.db2.gz CUATYTFYUBSIED-GJZGRUSLSA-N 1 1 346.431 0.025 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 ZINC001070233723 783711441 /nfs/dbraw/zinc/71/14/41/783711441.db2.gz CUATYTFYUBSIED-GJZGRUSLSA-N 1 1 346.431 0.025 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070254171 783748292 /nfs/dbraw/zinc/74/82/92/783748292.db2.gz BWZIXOKTSLKEHZ-GDBMZVCRSA-N 1 1 347.459 0.379 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2COCCO2)cc1 ZINC001038059373 783806482 /nfs/dbraw/zinc/80/64/82/783806482.db2.gz UPNPQPCMYVXKBL-WBVHZDCISA-N 1 1 345.399 0.695 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2COCCO2)cc1 ZINC001038059373 783806487 /nfs/dbraw/zinc/80/64/87/783806487.db2.gz UPNPQPCMYVXKBL-WBVHZDCISA-N 1 1 345.399 0.695 20 30 ECEDMO C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326950 783832446 /nfs/dbraw/zinc/83/24/46/783832446.db2.gz LBFKOCNWVIBRBP-MJBXVCDLSA-N 1 1 338.843 0.324 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001070392630 783948726 /nfs/dbraw/zinc/94/87/26/783948726.db2.gz UXRXZEQKVXFYQQ-AWEZNQCLSA-N 1 1 325.372 0.396 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001070394737 783953845 /nfs/dbraw/zinc/95/38/45/783953845.db2.gz QFXUGQXOZFLFBX-LLVKDONJSA-N 1 1 328.376 0.811 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COCCO2)C1 ZINC001070397751 783962815 /nfs/dbraw/zinc/96/28/15/783962815.db2.gz IWFGWVCGKCWOON-DZGCQCFKSA-N 1 1 332.404 0.254 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001070406481 783987511 /nfs/dbraw/zinc/98/75/11/783987511.db2.gz VXFUHSPTAKHQLZ-NSHDSACASA-N 1 1 331.376 0.607 20 30 ECEDMO Cn1oc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)cc1=O ZINC001038200105 783988398 /nfs/dbraw/zinc/98/83/98/783988398.db2.gz ZNEBSYQJYKSORI-CQSZACIVSA-N 1 1 326.356 0.854 20 30 ECEDMO Cn1oc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)cc1=O ZINC001038200105 783988403 /nfs/dbraw/zinc/98/84/03/783988403.db2.gz ZNEBSYQJYKSORI-CQSZACIVSA-N 1 1 326.356 0.854 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnnn2CC)C1 ZINC001070409298 783996635 /nfs/dbraw/zinc/99/66/35/783996635.db2.gz ADVJTOOPQBKLNY-LBPRGKRZSA-N 1 1 329.408 0.926 20 30 ECEDMO C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001070409647 783997506 /nfs/dbraw/zinc/99/75/06/783997506.db2.gz IZLJNUDSBUIFDV-RDJZCZTQSA-N 1 1 341.459 0.790 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001070411588 784001338 /nfs/dbraw/zinc/00/13/38/784001338.db2.gz SLYONOHNCRJXED-YEWWUXTCSA-N 1 1 328.416 0.875 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001070412859 784006152 /nfs/dbraw/zinc/00/61/52/784006152.db2.gz MDSIIFKBOOPPPH-GFCCVEGCSA-N 1 1 342.403 0.904 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001070413193 784009083 /nfs/dbraw/zinc/00/90/83/784009083.db2.gz WKHISVUAMRCLKD-DZGCQCFKSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001070413967 784011262 /nfs/dbraw/zinc/01/12/62/784011262.db2.gz AHJBLHPGZSTJSI-ZDUSSCGKSA-N 1 1 339.399 0.461 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001070414968 784016135 /nfs/dbraw/zinc/01/61/35/784016135.db2.gz VVJQIFUPPOYKQK-UONOGXRCSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001070420345 784029218 /nfs/dbraw/zinc/02/92/18/784029218.db2.gz XCGPDWUSDAOWLF-TZMCWYRMSA-N 1 1 329.404 0.069 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001070421510 784031843 /nfs/dbraw/zinc/03/18/43/784031843.db2.gz NRORLCVAQWDYDT-JSGCOSHPSA-N 1 1 331.420 0.480 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnc3cccnn32)C1 ZINC001070427829 784045905 /nfs/dbraw/zinc/04/59/05/784045905.db2.gz FHQATOWARBBETE-ZDUSSCGKSA-N 1 1 349.398 0.805 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001070434009 784060967 /nfs/dbraw/zinc/06/09/67/784060967.db2.gz KKYSNMSDAPPKIW-LLVKDONJSA-N 1 1 342.403 0.742 20 30 ECEDMO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccn[nH]1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440077 784076581 /nfs/dbraw/zinc/07/65/81/784076581.db2.gz AXOQJBPNOZQOIF-CYBMUJFWSA-N 1 1 341.419 0.954 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442574 784085582 /nfs/dbraw/zinc/08/55/82/784085582.db2.gz JTLLYBUTQKLFCX-LSDHHAIUSA-N 1 1 342.447 0.068 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cnsn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442930 784087794 /nfs/dbraw/zinc/08/77/94/784087794.db2.gz SVSBLBQXVBVGSE-NSHDSACASA-N 1 1 345.432 0.692 20 30 ECEDMO CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001070907684 784094505 /nfs/dbraw/zinc/09/45/05/784094505.db2.gz VWXIGJZVCZBWMY-ZNMIVQPWSA-N 1 1 343.387 0.626 20 30 ECEDMO CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001070907684 784094511 /nfs/dbraw/zinc/09/45/11/784094511.db2.gz VWXIGJZVCZBWMY-ZNMIVQPWSA-N 1 1 343.387 0.626 20 30 ECEDMO CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001070908491 784096060 /nfs/dbraw/zinc/09/60/60/784096060.db2.gz KISNYPAILTUOKU-YUELXQCFSA-N 1 1 343.387 0.626 20 30 ECEDMO CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001070908491 784096066 /nfs/dbraw/zinc/09/60/66/784096066.db2.gz KISNYPAILTUOKU-YUELXQCFSA-N 1 1 343.387 0.626 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070911473 784101828 /nfs/dbraw/zinc/10/18/28/784101828.db2.gz AWOFNTRUXIOKBY-MCIONIFRSA-N 1 1 345.403 0.705 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1c[nH]nc1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070448300 784104342 /nfs/dbraw/zinc/10/43/42/784104342.db2.gz WSGPIPKWXUAUDH-AWEZNQCLSA-N 1 1 341.419 0.872 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001070915053 784106178 /nfs/dbraw/zinc/10/61/78/784106178.db2.gz NOLHGDWGGDRBFE-YUTCNCBUSA-N 1 1 346.391 0.100 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001070915053 784106185 /nfs/dbraw/zinc/10/61/85/784106185.db2.gz NOLHGDWGGDRBFE-YUTCNCBUSA-N 1 1 346.391 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCSC)C1 ZINC001070921549 784118776 /nfs/dbraw/zinc/11/87/76/784118776.db2.gz CUHSNDQALGMKHV-CABCVRRESA-N 1 1 337.489 0.944 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCSC)C1 ZINC001070921549 784118781 /nfs/dbraw/zinc/11/87/81/784118781.db2.gz CUHSNDQALGMKHV-CABCVRRESA-N 1 1 337.489 0.944 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)SC)C1 ZINC001070921956 784120228 /nfs/dbraw/zinc/12/02/28/784120228.db2.gz USDYLOQNWLWTAF-KFWWJZLASA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)SC)C1 ZINC001070921956 784120233 /nfs/dbraw/zinc/12/02/33/784120233.db2.gz USDYLOQNWLWTAF-KFWWJZLASA-N 1 1 337.489 0.943 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnccn2)CC1 ZINC001070933434 784148844 /nfs/dbraw/zinc/14/88/44/784148844.db2.gz LUPHXPUDWGQKSW-UHFFFAOYSA-N 1 1 331.420 0.707 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnccn2)CC1 ZINC001070933434 784148845 /nfs/dbraw/zinc/14/88/45/784148845.db2.gz LUPHXPUDWGQKSW-UHFFFAOYSA-N 1 1 331.420 0.707 20 30 ECEDMO C[C@H](F)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955034 784215181 /nfs/dbraw/zinc/21/51/81/784215181.db2.gz HKEGOORKOCSXHW-ZDUSSCGKSA-N 1 1 349.410 0.899 20 30 ECEDMO C[C@H](F)CC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955034 784215188 /nfs/dbraw/zinc/21/51/88/784215188.db2.gz HKEGOORKOCSXHW-ZDUSSCGKSA-N 1 1 349.410 0.899 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001070955052 784215241 /nfs/dbraw/zinc/21/52/41/784215241.db2.gz IDQCTUKNBYBASV-AWEZNQCLSA-N 1 1 337.420 0.166 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001070955052 784215245 /nfs/dbraw/zinc/21/52/45/784215245.db2.gz IDQCTUKNBYBASV-AWEZNQCLSA-N 1 1 337.420 0.166 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cccnc2)CC1 ZINC001070955625 784218419 /nfs/dbraw/zinc/21/84/19/784218419.db2.gz WBLYIXAZKYKDBQ-UHFFFAOYSA-N 1 1 330.432 0.851 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cccnc2)CC1 ZINC001070955625 784218425 /nfs/dbraw/zinc/21/84/25/784218425.db2.gz WBLYIXAZKYKDBQ-UHFFFAOYSA-N 1 1 330.432 0.851 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO[C@H]2C=C)CC1 ZINC001070964764 784249174 /nfs/dbraw/zinc/24/91/74/784249174.db2.gz YNAPYYUWKJVPSW-SJORKVTESA-N 1 1 347.459 0.641 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO[C@H]2C=C)CC1 ZINC001070964764 784249178 /nfs/dbraw/zinc/24/91/78/784249178.db2.gz YNAPYYUWKJVPSW-SJORKVTESA-N 1 1 347.459 0.641 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2ccnn2C)CC1 ZINC001070964738 784249650 /nfs/dbraw/zinc/24/96/50/784249650.db2.gz WXFOZIWNKOYPFQ-OAHLLOKOSA-N 1 1 347.463 0.750 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccn(CC)n2)CC1 ZINC001070965705 784252955 /nfs/dbraw/zinc/25/29/55/784252955.db2.gz ORQZCTHPWOWBCM-UHFFFAOYSA-N 1 1 345.447 0.119 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccn(CC)n2)CC1 ZINC001070965705 784252960 /nfs/dbraw/zinc/25/29/60/784252960.db2.gz ORQZCTHPWOWBCM-UHFFFAOYSA-N 1 1 345.447 0.119 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001070970445 784269242 /nfs/dbraw/zinc/26/92/42/784269242.db2.gz GCMHWWVEJPWKCQ-KRWDZBQOSA-N 1 1 348.491 0.533 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)ncn2C)CC1 ZINC001070971771 784276231 /nfs/dbraw/zinc/27/62/31/784276231.db2.gz QJZUBAFBNIDIMN-UHFFFAOYSA-N 1 1 347.463 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2occc2C)CC1 ZINC001070998863 784366167 /nfs/dbraw/zinc/36/61/67/784366167.db2.gz XEOUEPARLWIYRK-UHFFFAOYSA-N 1 1 331.416 0.804 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2occc2C)CC1 ZINC001070998863 784366176 /nfs/dbraw/zinc/36/61/76/784366176.db2.gz XEOUEPARLWIYRK-UHFFFAOYSA-N 1 1 331.416 0.804 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001071007968 784394790 /nfs/dbraw/zinc/39/47/90/784394790.db2.gz ANLLANCWDCVWBJ-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2c[nH]c(C)n2)n1 ZINC001070595682 784405267 /nfs/dbraw/zinc/40/52/67/784405267.db2.gz IFLUARTYZOABNP-KBPBESRZSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cnccn2)CC1 ZINC001071013325 784412702 /nfs/dbraw/zinc/41/27/02/784412702.db2.gz YJCOCADBRALTKU-UHFFFAOYSA-N 1 1 343.431 0.083 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cnccn2)CC1 ZINC001071013325 784412705 /nfs/dbraw/zinc/41/27/05/784412705.db2.gz YJCOCADBRALTKU-UHFFFAOYSA-N 1 1 343.431 0.083 20 30 ECEDMO C#CCC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ncc[nH]2)n1 ZINC001070601994 784419165 /nfs/dbraw/zinc/41/91/65/784419165.db2.gz FWYRSDUXIHRVMI-UONOGXRCSA-N 1 1 342.403 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cc[nH]n2)n1 ZINC001070601852 784419315 /nfs/dbraw/zinc/41/93/15/784419315.db2.gz ZPVGBAWQCNAGBA-QWHCGFSZSA-N 1 1 328.376 0.581 20 30 ECEDMO C=C(C)CCN1CCNC(=O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001071020824 784441373 /nfs/dbraw/zinc/44/13/73/784441373.db2.gz XBFOKCBPJQHKES-UHFFFAOYSA-N 1 1 336.480 0.699 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001070630556 784462771 /nfs/dbraw/zinc/46/27/71/784462771.db2.gz WABYQGQMWSMLDC-MGPQQGTHSA-N 1 1 341.419 0.397 20 30 ECEDMO C=CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001071042529 784474035 /nfs/dbraw/zinc/47/40/35/784474035.db2.gz XWCPIUXIEGVSBQ-BHEGOAEISA-N 1 1 347.459 0.923 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3cncn3C)[C@H](NCC#N)C2)C1 ZINC001070689878 784557090 /nfs/dbraw/zinc/55/70/90/784557090.db2.gz UODRSOFZNXPBOP-RBSFLKMASA-N 1 1 330.436 0.169 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)[nH]n1)C[C@@H](C)O2 ZINC001071129819 784571251 /nfs/dbraw/zinc/57/12/51/784571251.db2.gz RMLQSGRJDPGBSD-CXAGYDPISA-N 1 1 330.388 0.511 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@H](C)O2 ZINC001071162580 784634235 /nfs/dbraw/zinc/63/42/35/784634235.db2.gz VSXUBCOPXZGIFQ-GUYCJALGSA-N 1 1 333.436 0.884 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001070736162 784637296 /nfs/dbraw/zinc/63/72/96/784637296.db2.gz ROOOVKLGJYQENR-FRRDWIJNSA-N 1 1 334.399 0.091 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070736162 784637301 /nfs/dbraw/zinc/63/73/01/784637301.db2.gz ROOOVKLGJYQENR-FRRDWIJNSA-N 1 1 334.399 0.091 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070736162 784637303 /nfs/dbraw/zinc/63/73/03/784637303.db2.gz ROOOVKLGJYQENR-FRRDWIJNSA-N 1 1 334.399 0.091 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070736162 784637308 /nfs/dbraw/zinc/63/73/08/784637308.db2.gz ROOOVKLGJYQENR-FRRDWIJNSA-N 1 1 334.399 0.091 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001070736162 784637313 /nfs/dbraw/zinc/63/73/13/784637313.db2.gz ROOOVKLGJYQENR-FRRDWIJNSA-N 1 1 334.399 0.091 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccn(C)n1)C[C@H](C)O2 ZINC001071166538 784641385 /nfs/dbraw/zinc/64/13/85/784641385.db2.gz JSFYJDIHFKGUSI-YJBOKZPZSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn3nnnc13)C[C@@H](C)O2 ZINC001071171996 784655212 /nfs/dbraw/zinc/65/52/12/784655212.db2.gz VTNLOGJKUVQOQP-CXAGYDPISA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn3nnnc13)C[C@@H](C)O2 ZINC001071171996 784655213 /nfs/dbraw/zinc/65/52/13/784655213.db2.gz VTNLOGJKUVQOQP-CXAGYDPISA-N 1 1 340.387 0.063 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1C)C[C@@H](C)O2 ZINC001071173832 784660493 /nfs/dbraw/zinc/66/04/93/784660493.db2.gz OIHVJZAPGMAMAA-DNVCBOLYSA-N 1 1 344.459 0.986 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)C[C@@H](C)O2 ZINC001071174285 784661585 /nfs/dbraw/zinc/66/15/85/784661585.db2.gz VYPVZNWWVXUAAC-SJKOYZFVSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3n1CCOC3)C[C@@H](C)O2 ZINC001071176237 784664616 /nfs/dbraw/zinc/66/46/16/784664616.db2.gz SVNICVFUUICNOS-RDTXWAMCSA-N 1 1 346.431 0.905 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(CCF)c1)C[C@H](C)O2 ZINC001071183914 784685881 /nfs/dbraw/zinc/68/58/81/784685881.db2.gz VIUYUMXUIADALD-WMLDXEAASA-N 1 1 334.395 0.791 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(CCF)c1)C[C@H](C)O2 ZINC001071183914 784685887 /nfs/dbraw/zinc/68/58/87/784685887.db2.gz VIUYUMXUIADALD-WMLDXEAASA-N 1 1 334.395 0.791 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3nnnn3c1)C[C@H](C)O2 ZINC001071192000 784704067 /nfs/dbraw/zinc/70/40/67/784704067.db2.gz KZJSTHGEIIETNI-SUMWQHHRSA-N 1 1 342.403 0.616 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@@H](C)O2 ZINC001071192946 784705670 /nfs/dbraw/zinc/70/56/70/784705670.db2.gz UREJIFOJVSGDSD-ACJLOTCBSA-N 1 1 347.415 0.875 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@@H](C)O2 ZINC001071192946 784705675 /nfs/dbraw/zinc/70/56/75/784705675.db2.gz UREJIFOJVSGDSD-ACJLOTCBSA-N 1 1 347.415 0.875 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cncnc1)C[C@H](C)O2 ZINC001071193073 784706596 /nfs/dbraw/zinc/70/65/96/784706596.db2.gz WCDYZJFQUVJLRY-YJBOKZPZSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccoc1CC(N)=O)C[C@H](C)O2 ZINC001071203760 784727986 /nfs/dbraw/zinc/72/79/86/784727986.db2.gz HJWRXAVXZNMHGI-SCLBCKFNSA-N 1 1 345.399 0.246 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccoc1CC(N)=O)C[C@H](C)O2 ZINC001071203760 784727996 /nfs/dbraw/zinc/72/79/96/784727996.db2.gz HJWRXAVXZNMHGI-SCLBCKFNSA-N 1 1 345.399 0.246 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@]2(CCN(CC#N)C2)O1 ZINC001071208934 784739730 /nfs/dbraw/zinc/73/97/30/784739730.db2.gz BRQCRMIAEQZODI-QAPCUYQASA-N 1 1 334.464 0.934 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CCO)C3)C2)c1 ZINC001071211709 784747602 /nfs/dbraw/zinc/74/76/02/784747602.db2.gz MOXDDHJXVUIBLM-KSSFIOAISA-N 1 1 329.400 0.361 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccc(C)n1)C[C@@H](C)O2 ZINC001071212423 784749134 /nfs/dbraw/zinc/74/91/34/784749134.db2.gz XJYRUHUXJUMWBF-AEFFLSMTSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COC1CCOCC1)C[C@@H](C)O2 ZINC001071215404 784753303 /nfs/dbraw/zinc/75/33/03/784753303.db2.gz BCRRUVRARRBIDA-QAPCUYQASA-N 1 1 336.432 0.507 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnccn1)C[C@@H](C)O2 ZINC001071225747 784782207 /nfs/dbraw/zinc/78/22/07/784782207.db2.gz OZNXSPCUVBJVQX-CRAIPNDOSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CCN1CC[C@@]2(C1)CN(C(=O)COC1CC[NH+](C)CC1)C[C@H](C)O2 ZINC001071225681 784783359 /nfs/dbraw/zinc/78/33/59/784783359.db2.gz NUDIITXRIWCNRS-QFBILLFUSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1coc(COC)n1)C[C@@H](C)O2 ZINC001071226312 784784575 /nfs/dbraw/zinc/78/45/75/784784575.db2.gz YDKMRWHHNRDLSF-DYVFJYSZSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1coc(COC)n1)C[C@@H](C)O2 ZINC001071226312 784784583 /nfs/dbraw/zinc/78/45/83/784784583.db2.gz YDKMRWHHNRDLSF-DYVFJYSZSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)nn1)C[C@@H](C)O2 ZINC001071230940 784793040 /nfs/dbraw/zinc/79/30/40/784793040.db2.gz LNNNDDLOYFEFHR-RDTXWAMCSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)nn1)C[C@@H](C)O2 ZINC001071230940 784793044 /nfs/dbraw/zinc/79/30/44/784793044.db2.gz LNNNDDLOYFEFHR-RDTXWAMCSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@@H](C)O2 ZINC001071230736 784793953 /nfs/dbraw/zinc/79/39/53/784793953.db2.gz KCQRBSKLZDVPDM-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@H](C)O2 ZINC001071232167 784795804 /nfs/dbraw/zinc/79/58/04/784795804.db2.gz ZYLVXGMKMKKFMZ-HNAYVOBHSA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@@H](C)O2 ZINC001071233837 784798723 /nfs/dbraw/zinc/79/87/23/784798723.db2.gz OHKWQYDDGHKIHI-KDOFPFPSSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001070900226 784808329 /nfs/dbraw/zinc/80/83/29/784808329.db2.gz FKLMKLNSLGJLIS-UPJWGTAASA-N 1 1 341.358 0.771 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001070900226 784808338 /nfs/dbraw/zinc/80/83/38/784808338.db2.gz FKLMKLNSLGJLIS-UPJWGTAASA-N 1 1 341.358 0.771 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@@H](C)O2 ZINC001071240176 784812130 /nfs/dbraw/zinc/81/21/30/784812130.db2.gz AYIIQILRJSLIMX-VQIMIIECSA-N 1 1 343.427 0.563 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c(C)n[nH]c1C)C[C@@H](C)O2 ZINC001071241098 784815418 /nfs/dbraw/zinc/81/54/18/784815418.db2.gz OVNHCFNFGBBTAP-FZKQIMNGSA-N 1 1 330.432 0.894 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)C(=O)C1 ZINC001071253060 784843530 /nfs/dbraw/zinc/84/35/30/784843530.db2.gz FYQKLEVZQDKJAH-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)C(=O)C1 ZINC001071253060 784843537 /nfs/dbraw/zinc/84/35/37/784843537.db2.gz FYQKLEVZQDKJAH-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)C(=O)C1 ZINC001071256961 784857792 /nfs/dbraw/zinc/85/77/92/784857792.db2.gz MTFLYOSBEGKJFO-MRXNPFEDSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)C(=O)C1 ZINC001071256961 784857797 /nfs/dbraw/zinc/85/77/97/784857797.db2.gz MTFLYOSBEGKJFO-MRXNPFEDSA-N 1 1 345.447 0.745 20 30 ECEDMO C=C(C)CN1CCN([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071259133 784868330 /nfs/dbraw/zinc/86/83/30/784868330.db2.gz ZHCVBPWNMOLBHI-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccnc3c2nnn3C)CC[C@H]1C ZINC001071766463 785073696 /nfs/dbraw/zinc/07/36/96/785073696.db2.gz WCYUNIMQBJXQFQ-CHWSQXEVSA-N 1 1 326.404 0.969 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071430577 785077981 /nfs/dbraw/zinc/07/79/81/785077981.db2.gz CJKRHTVWEPJUPI-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CC(=O)N1CCC1 ZINC001071430577 785077989 /nfs/dbraw/zinc/07/79/89/785077989.db2.gz CJKRHTVWEPJUPI-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C ZINC001071861460 785234945 /nfs/dbraw/zinc/23/49/45/785234945.db2.gz PRJOTJWBTZRTMS-KGLIPLIRSA-N 1 1 348.447 0.633 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)CC[C@@H]1C ZINC001071530845 785252677 /nfs/dbraw/zinc/25/26/77/785252677.db2.gz BMBCZLWDWSXVQZ-UONOGXRCSA-N 1 1 332.452 0.963 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@H]1C ZINC001071889715 785276087 /nfs/dbraw/zinc/27/60/87/785276087.db2.gz BWRKWMOYEYPFEX-CABCVRRESA-N 1 1 346.435 0.171 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC[C@H]1C ZINC001071896307 785289317 /nfs/dbraw/zinc/28/93/17/785289317.db2.gz FRGUGVJYWXXICB-CHWSQXEVSA-N 1 1 327.388 0.547 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071919021 785333730 /nfs/dbraw/zinc/33/37/30/785333730.db2.gz VWUVBEDNYYJZCR-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C ZINC001071990136 785488313 /nfs/dbraw/zinc/48/83/13/785488313.db2.gz VDFNHIPFYTULEL-NWDGAFQWSA-N 1 1 328.376 0.024 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)N3CCC3)C2)cn1 ZINC001072002126 785508604 /nfs/dbraw/zinc/50/86/04/785508604.db2.gz IXFORJXAWHUZKH-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001072002126 785508606 /nfs/dbraw/zinc/50/86/06/785508606.db2.gz IXFORJXAWHUZKH-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)CC[C@H]1C ZINC001071694777 785541058 /nfs/dbraw/zinc/54/10/58/785541058.db2.gz JQUAGHJFDAIPOZ-OCCSQVGLSA-N 1 1 326.404 0.969 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)CC[C@H]1C ZINC001071694777 785541065 /nfs/dbraw/zinc/54/10/65/785541065.db2.gz JQUAGHJFDAIPOZ-OCCSQVGLSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@H]1C ZINC001071721534 785585701 /nfs/dbraw/zinc/58/57/01/785585701.db2.gz RSMQWSNIRIHEHQ-ZIAGYGMSSA-N 1 1 327.388 0.098 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@@H]1C ZINC001071725019 785593737 /nfs/dbraw/zinc/59/37/37/785593737.db2.gz PBWOQBWIWOAAFD-AAEUAGOBSA-N 1 1 344.423 0.853 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N(Cc2cn(C)c(=O)n(C)c2=O)C(C)=O)C1 ZINC001072134743 785723437 /nfs/dbraw/zinc/72/34/37/785723437.db2.gz YZLCQCABWLMCAS-HNNXBMFYSA-N 1 1 334.420 0.083 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSCC#N)C1 ZINC001072136726 785730342 /nfs/dbraw/zinc/73/03/42/785730342.db2.gz ZNUJAGXKQVNBES-YPMHNXCESA-N 1 1 335.433 0.411 20 30 ECEDMO C=CCCOCC(=O)N[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001072139494 785733875 /nfs/dbraw/zinc/73/38/75/785733875.db2.gz UGWLVTXDSYAOGI-HIFRSBDPSA-N 1 1 334.420 0.747 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001072282839 785968509 /nfs/dbraw/zinc/96/85/09/785968509.db2.gz KJFFPVFEHLDIGE-SWLSCSKDSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)CSCC#N ZINC001072317620 786031217 /nfs/dbraw/zinc/03/12/17/786031217.db2.gz RRHIUFLAGQDMJK-TZMCWYRMSA-N 1 1 338.477 0.691 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001072400922 786138489 /nfs/dbraw/zinc/13/84/89/786138489.db2.gz HEWJHJAKTVDCPF-HIFRSBDPSA-N 1 1 332.404 0.195 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CCCOC4)C3)C2)C1=O ZINC001072539596 786342391 /nfs/dbraw/zinc/34/23/91/786342391.db2.gz XGUITKILFMHMOS-CVEARBPZSA-N 1 1 347.459 0.734 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCN(C3CCC3)C1=O)C2 ZINC001072552667 786357615 /nfs/dbraw/zinc/35/76/15/786357615.db2.gz RGMIGZNOYOIGBP-UKRRQHHQSA-N 1 1 330.432 0.834 20 30 ECEDMO CC#CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001072555117 786363138 /nfs/dbraw/zinc/36/31/38/786363138.db2.gz LNKUJOBWXGOVDX-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)CCC(=O)N1CCN(C2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001073576639 786658972 /nfs/dbraw/zinc/65/89/72/786658972.db2.gz SHYWEJCHSUZZES-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001073578343 786665973 /nfs/dbraw/zinc/66/59/73/786665973.db2.gz JNXSURFWIUSDOA-JKSUJKDBSA-N 1 1 325.453 0.490 20 30 ECEDMO C#CCN1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001074348434 786728774 /nfs/dbraw/zinc/72/87/74/786728774.db2.gz MPXVEMMBBMBTPW-HZPDHXFCSA-N 1 1 330.432 0.941 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CCOC)c2C)C1 ZINC001073601047 786746101 /nfs/dbraw/zinc/74/61/01/786746101.db2.gz DZUXCWYHLAFBBM-OAHLLOKOSA-N 1 1 336.436 0.845 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@@H]21 ZINC001074377341 786797841 /nfs/dbraw/zinc/79/78/41/786797841.db2.gz JPBMSJUTIRNMQV-GJZGRUSLSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@@H]21 ZINC001074377341 786797845 /nfs/dbraw/zinc/79/78/45/786797845.db2.gz JPBMSJUTIRNMQV-GJZGRUSLSA-N 1 1 332.404 0.977 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073629990 786812761 /nfs/dbraw/zinc/81/27/61/786812761.db2.gz KHADOFKWROFULL-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3nccn32)C1 ZINC001073633683 786826605 /nfs/dbraw/zinc/82/66/05/786826605.db2.gz CQYAEMLDEJHNMU-HZPDHXFCSA-N 1 1 330.432 0.991 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccn(CC(F)F)n2)C1 ZINC001073648793 786869196 /nfs/dbraw/zinc/86/91/96/786869196.db2.gz CSDYNXSMDGFLQT-CYBMUJFWSA-N 1 1 340.374 0.992 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CC(F)F)n2)C1 ZINC001073648793 786869203 /nfs/dbraw/zinc/86/92/03/786869203.db2.gz CSDYNXSMDGFLQT-CYBMUJFWSA-N 1 1 340.374 0.992 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001073654194 786881419 /nfs/dbraw/zinc/88/14/19/786881419.db2.gz BQDRZNKYWNEKEF-OAHLLOKOSA-N 1 1 327.388 0.802 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001073660656 786903051 /nfs/dbraw/zinc/90/30/51/786903051.db2.gz KXGQZPCLFGTNDR-BRWVUGGUSA-N 1 1 339.480 0.879 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001073661014 786904498 /nfs/dbraw/zinc/90/44/98/786904498.db2.gz UMOHURVCILPJHY-HNNXBMFYSA-N 1 1 341.415 0.812 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001073664800 786912961 /nfs/dbraw/zinc/91/29/61/786912961.db2.gz PONWKGMILMZERS-HZPDHXFCSA-N 1 1 325.453 0.490 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001073670695 786924670 /nfs/dbraw/zinc/92/46/70/786924670.db2.gz LWOADAWIKVFNIN-GPANFISMSA-N 1 1 335.448 0.509 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001073674999 786943164 /nfs/dbraw/zinc/94/31/64/786943164.db2.gz VHSOJOBWYVSQJE-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001073674999 786943168 /nfs/dbraw/zinc/94/31/68/786943168.db2.gz VHSOJOBWYVSQJE-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001073690047 786974051 /nfs/dbraw/zinc/97/40/51/786974051.db2.gz LFCNAFKPZDHXNN-LBPRGKRZSA-N 1 1 330.392 0.750 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c(OC)ccnc2OC)C1 ZINC001073691587 786979116 /nfs/dbraw/zinc/97/91/16/786979116.db2.gz WDTMMXHQJPFQSD-CQSZACIVSA-N 1 1 347.415 0.943 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(OC)ccnc2OC)C1 ZINC001073691587 786979119 /nfs/dbraw/zinc/97/91/19/786979119.db2.gz WDTMMXHQJPFQSD-CQSZACIVSA-N 1 1 347.415 0.943 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3cccnc23)C1 ZINC001073724090 787064769 /nfs/dbraw/zinc/06/47/69/787064769.db2.gz QWBUDPYXYRZTJG-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3cccnc23)C1 ZINC001073724090 787064779 /nfs/dbraw/zinc/06/47/79/787064779.db2.gz QWBUDPYXYRZTJG-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001073745715 787109799 /nfs/dbraw/zinc/10/97/99/787109799.db2.gz GJZDLVXRCUWNIR-LSDHHAIUSA-N 1 1 345.447 0.150 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)CC2 ZINC001073745909 787111196 /nfs/dbraw/zinc/11/11/96/787111196.db2.gz KPGTYUKMHALENV-ZBFHGGJFSA-N 1 1 331.420 0.485 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001073746015 787111975 /nfs/dbraw/zinc/11/19/75/787111975.db2.gz MQNUBJSJZYGAFP-WBVHZDCISA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001073746015 787111978 /nfs/dbraw/zinc/11/19/78/787111978.db2.gz MQNUBJSJZYGAFP-WBVHZDCISA-N 1 1 330.432 0.594 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001073748618 787121889 /nfs/dbraw/zinc/12/18/89/787121889.db2.gz IVLIMMOLBZNUDX-KBPBESRZSA-N 1 1 331.420 0.455 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001073748618 787121900 /nfs/dbraw/zinc/12/19/00/787121900.db2.gz IVLIMMOLBZNUDX-KBPBESRZSA-N 1 1 331.420 0.455 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001073748618 787121903 /nfs/dbraw/zinc/12/19/03/787121903.db2.gz IVLIMMOLBZNUDX-KBPBESRZSA-N 1 1 331.420 0.455 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2ncn3C)C1 ZINC001073762612 787150866 /nfs/dbraw/zinc/15/08/66/787150866.db2.gz HWUKSCLPMLSVGD-CYBMUJFWSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2ncn3C)C1 ZINC001073762612 787150873 /nfs/dbraw/zinc/15/08/73/787150873.db2.gz HWUKSCLPMLSVGD-CYBMUJFWSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2ncn3C)C1 ZINC001073762613 787151445 /nfs/dbraw/zinc/15/14/45/787151445.db2.gz HWUKSCLPMLSVGD-ZDUSSCGKSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2ncn3C)C1 ZINC001073762613 787151451 /nfs/dbraw/zinc/15/14/51/787151451.db2.gz HWUKSCLPMLSVGD-ZDUSSCGKSA-N 1 1 327.388 0.422 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001073764870 787157622 /nfs/dbraw/zinc/15/76/22/787157622.db2.gz MPHJTVXYNDOARV-AEFFLSMTSA-N 1 1 344.459 0.984 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001073772262 787173709 /nfs/dbraw/zinc/17/37/09/787173709.db2.gz JNQPXDZMHKODQT-CYBMUJFWSA-N 1 1 333.388 0.640 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccnn2C)CCCO1 ZINC001073775548 787182190 /nfs/dbraw/zinc/18/21/90/787182190.db2.gz WMWSACPJVFHCRK-BBWFWOEESA-N 1 1 348.447 0.718 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccnn2C)CCCO1 ZINC001073775548 787182192 /nfs/dbraw/zinc/18/21/92/787182192.db2.gz WMWSACPJVFHCRK-BBWFWOEESA-N 1 1 348.447 0.718 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001073778719 787188448 /nfs/dbraw/zinc/18/84/48/787188448.db2.gz HOMZROKMCCXBIJ-CABCVRRESA-N 1 1 348.451 0.409 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001073781910 787191539 /nfs/dbraw/zinc/19/15/39/787191539.db2.gz RJHBPIYVJFXVST-YESZJQIVSA-N 1 1 330.432 0.754 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)c3cc(CC)[nH]n3)[C@H]2C)C1=O ZINC001074538865 787208177 /nfs/dbraw/zinc/20/81/77/787208177.db2.gz OUOBJHGHLHXKLV-QEJZJMRPSA-N 1 1 345.447 0.952 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001073794976 787215345 /nfs/dbraw/zinc/21/53/45/787215345.db2.gz XGNWXUZHVTYMRE-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc(N(C)C)c2)C1 ZINC001073798562 787223281 /nfs/dbraw/zinc/22/32/81/787223281.db2.gz KFSWYZSANBSGKU-MRXNPFEDSA-N 1 1 330.432 0.992 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)nn1 ZINC001073807406 787238460 /nfs/dbraw/zinc/23/84/60/787238460.db2.gz OFMPDOJBRWJELB-HUUCEWRRSA-N 1 1 349.435 0.321 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CCC=C)nn2)C1 ZINC001073813281 787246237 /nfs/dbraw/zinc/24/62/37/787246237.db2.gz UKHPIHFGXFJFQD-HNNXBMFYSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001073816594 787252967 /nfs/dbraw/zinc/25/29/67/787252967.db2.gz DDNLTIQPTMCSAG-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001073818069 787256674 /nfs/dbraw/zinc/25/66/74/787256674.db2.gz BSQRXLQDBHWNFN-AWEZNQCLSA-N 1 1 337.420 0.213 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3nnc[nH]3)C2)c1 ZINC001073824355 787276035 /nfs/dbraw/zinc/27/60/35/787276035.db2.gz RCYCVOYAYJRPSG-HNNXBMFYSA-N 1 1 340.387 0.697 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3cncn3)n2)C1 ZINC001073837800 787318920 /nfs/dbraw/zinc/31/89/20/787318920.db2.gz UOGOLAMUUDIMLO-CQSZACIVSA-N 1 1 342.403 0.669 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074581980 787322493 /nfs/dbraw/zinc/32/24/93/787322493.db2.gz BKEPJWJBTKEJLF-HOCLYGCPSA-N 1 1 347.459 0.067 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001074594208 787354443 /nfs/dbraw/zinc/35/44/43/787354443.db2.gz PTBYNCQCGWPDQE-UHFFFAOYSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001073853671 787364559 /nfs/dbraw/zinc/36/45/59/787364559.db2.gz LHKCAGVPOBADRQ-AWEZNQCLSA-N 1 1 347.415 0.867 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@H+](CC#C)CCCO1 ZINC001073860049 787381891 /nfs/dbraw/zinc/38/18/91/787381891.db2.gz ZXVRGNGLRPNLKS-OAHLLOKOSA-N 1 1 327.384 0.548 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC#C)CCCO1 ZINC001073860049 787381901 /nfs/dbraw/zinc/38/19/01/787381901.db2.gz ZXVRGNGLRPNLKS-OAHLLOKOSA-N 1 1 327.384 0.548 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1C[N@@H+](CCOC)CCCO1 ZINC001073862508 787391651 /nfs/dbraw/zinc/39/16/51/787391651.db2.gz TYIZAOMNOYEPSB-HNNXBMFYSA-N 1 1 347.415 0.561 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001073872557 787412001 /nfs/dbraw/zinc/41/20/01/787412001.db2.gz TWOSUCPRPAZQBV-OAHLLOKOSA-N 1 1 341.415 0.812 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001073876897 787421902 /nfs/dbraw/zinc/42/19/02/787421902.db2.gz PBTKVOCOAOCWKF-ZDUSSCGKSA-N 1 1 330.392 0.439 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H](C)CC)CC1 ZINC001074628124 787444863 /nfs/dbraw/zinc/44/48/63/787444863.db2.gz YSBVSSGHQQWFGW-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H](C)CC)CC1 ZINC001074628124 787444867 /nfs/dbraw/zinc/44/48/67/787444867.db2.gz YSBVSSGHQQWFGW-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001073890675 787449226 /nfs/dbraw/zinc/44/92/26/787449226.db2.gz HNNKKEPLQPCUGH-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001073890984 787450571 /nfs/dbraw/zinc/45/05/71/787450571.db2.gz KNTYDOLCHJYLOJ-HOTGVXAUSA-N 1 1 339.436 0.017 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001073893621 787459283 /nfs/dbraw/zinc/45/92/83/787459283.db2.gz XNRODPKKVNAMHY-MRXNPFEDSA-N 1 1 346.431 0.967 20 30 ECEDMO C=C(Cl)CN1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001073896422 787466945 /nfs/dbraw/zinc/46/69/45/787466945.db2.gz RTNHAGNIFKTWHN-HUUCEWRRSA-N 1 1 345.871 0.667 20 30 ECEDMO C=C(Cl)CN1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896422 787466950 /nfs/dbraw/zinc/46/69/50/787466950.db2.gz RTNHAGNIFKTWHN-HUUCEWRRSA-N 1 1 345.871 0.667 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001073899595 787475704 /nfs/dbraw/zinc/47/57/04/787475704.db2.gz YDPGPIWDISRWAP-JKSUJKDBSA-N 1 1 345.447 0.379 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(N(C)C)cn2)C1 ZINC001073906294 787491705 /nfs/dbraw/zinc/49/17/05/787491705.db2.gz VUSZLRCFNJPXKV-MRXNPFEDSA-N 1 1 330.432 0.992 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001074056502 787779618 /nfs/dbraw/zinc/77/96/18/787779618.db2.gz SDEWLYASFOVYSA-OAHLLOKOSA-N 1 1 344.415 0.865 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001074056502 787779620 /nfs/dbraw/zinc/77/96/20/787779620.db2.gz SDEWLYASFOVYSA-OAHLLOKOSA-N 1 1 344.415 0.865 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001074063100 787794970 /nfs/dbraw/zinc/79/49/70/787794970.db2.gz MLGQTKCSHMTWAD-DOTOQJQBSA-N 1 1 347.459 0.475 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1=O ZINC001072595551 788394827 /nfs/dbraw/zinc/39/48/27/788394827.db2.gz ZCIBLZUVVOWNSZ-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3[nH]c(C)c(C(N)=O)c3CC)C2)C1 ZINC001072811957 788859423 /nfs/dbraw/zinc/85/94/23/788859423.db2.gz MUGJIMYVSDNXEY-UHFFFAOYSA-N 1 1 328.416 0.766 20 30 ECEDMO CC#CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)CN3CCOCC3)C2)C1 ZINC001072853077 788965678 /nfs/dbraw/zinc/96/56/78/788965678.db2.gz ZBRXUURRYCAOIV-UHFFFAOYSA-N 1 1 333.476 0.902 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)C(C)(C)CN3CCOCC3)C2)C1 ZINC001072853077 788965684 /nfs/dbraw/zinc/96/56/84/788965684.db2.gz ZBRXUURRYCAOIV-UHFFFAOYSA-N 1 1 333.476 0.902 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)CCc3c(C)nc[nH]c3=O)C2)C1 ZINC001072893855 789048476 /nfs/dbraw/zinc/04/84/76/789048476.db2.gz KGAHDSBDGWCWJL-UHFFFAOYSA-N 1 1 328.416 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3ccc(=O)n(CCOC)c3)C2)C1 ZINC001072894151 789050912 /nfs/dbraw/zinc/05/09/12/789050912.db2.gz AKXFNVAXOGJSGU-UHFFFAOYSA-N 1 1 329.400 0.276 20 30 ECEDMO CC#CC[N@@H+]1CCC2(CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C2)C1 ZINC001072900781 789069664 /nfs/dbraw/zinc/06/96/64/789069664.db2.gz GSKRAGJQLZPKEZ-UHFFFAOYSA-N 1 1 344.459 0.933 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C2)C1 ZINC001072900781 789069676 /nfs/dbraw/zinc/06/96/76/789069676.db2.gz GSKRAGJQLZPKEZ-UHFFFAOYSA-N 1 1 344.459 0.933 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C3CCCC3)C2)C1 ZINC001072911075 789095252 /nfs/dbraw/zinc/09/52/52/789095252.db2.gz JHGWVMXYDARWFD-QGZVFWFLSA-N 1 1 331.460 0.797 20 30 ECEDMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC001072934625 789134413 /nfs/dbraw/zinc/13/44/13/789134413.db2.gz NBYPEHWDVJPYEF-UHFFFAOYSA-N 1 1 331.803 0.711 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)C4(C(N)=O)CC4)C3)C2)cc1 ZINC001072936225 789137256 /nfs/dbraw/zinc/13/72/56/789137256.db2.gz VZABIHSZWRAYGE-UHFFFAOYSA-N 1 1 338.411 0.858 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C2)C1 ZINC001072978395 789201531 /nfs/dbraw/zinc/20/15/31/789201531.db2.gz SLIOGZIHMUNUSO-UHFFFAOYSA-N 1 1 342.443 0.694 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001072986700 789228571 /nfs/dbraw/zinc/22/85/71/789228571.db2.gz HFFFBXROGNCNOA-KSSFIOAISA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCN1CC[C@H](N2CCC3(CN(C(=O)[C@H](CC)[NH+](C)C)C3)C2)C1=O ZINC001072991502 789238467 /nfs/dbraw/zinc/23/84/67/789238467.db2.gz WFZXRXOBAKOVTN-HOTGVXAUSA-N 1 1 348.491 0.648 20 30 ECEDMO C#CCC[N@H+]1CCC2(CN(C(=O)c3ccc(S(C)(=O)=O)o3)C2)C1 ZINC001073026487 789298169 /nfs/dbraw/zinc/29/81/69/789298169.db2.gz HHUIKJMWKUFORR-UHFFFAOYSA-N 1 1 336.413 0.854 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccc(S(C)(=O)=O)o3)C2)C1 ZINC001073026487 789298174 /nfs/dbraw/zinc/29/81/74/789298174.db2.gz HHUIKJMWKUFORR-UHFFFAOYSA-N 1 1 336.413 0.854 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001073029426 789306342 /nfs/dbraw/zinc/30/63/42/789306342.db2.gz WWYXDFOYPNHNGO-OAHLLOKOSA-N 1 1 346.431 0.727 20 30 ECEDMO C=CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001075397305 789323940 /nfs/dbraw/zinc/32/39/40/789323940.db2.gz KHCFPMRIVXTQIM-HUUCEWRRSA-N 1 1 333.436 0.909 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(N)=O)C3)cc1 ZINC001073041665 789331132 /nfs/dbraw/zinc/33/11/32/789331132.db2.gz RPGDMKKCCNKFRV-AWEZNQCLSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001075406721 789331881 /nfs/dbraw/zinc/33/18/81/789331881.db2.gz PMEYIAKUOGJWSM-FUHWJXTLSA-N 1 1 330.432 0.961 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001073053337 789351611 /nfs/dbraw/zinc/35/16/11/789351611.db2.gz FWTZESZVXDYAMM-ZDUSSCGKSA-N 1 1 327.450 0.131 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)C1 ZINC001073065354 789377803 /nfs/dbraw/zinc/37/78/03/789377803.db2.gz IEJOGJCZCCIAGZ-UONOGXRCSA-N 1 1 336.436 0.364 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)C1 ZINC001073065354 789377816 /nfs/dbraw/zinc/37/78/16/789377816.db2.gz IEJOGJCZCCIAGZ-UONOGXRCSA-N 1 1 336.436 0.364 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC001073083620 789410492 /nfs/dbraw/zinc/41/04/92/789410492.db2.gz GJMLYHFDTOJJRI-UHFFFAOYSA-N 1 1 330.432 0.971 20 30 ECEDMO Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001075616499 789574227 /nfs/dbraw/zinc/57/42/27/789574227.db2.gz UZKMIYRNPKJIGM-KWCYVHTRSA-N 1 1 334.445 0.911 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001073260591 789668232 /nfs/dbraw/zinc/66/82/32/789668232.db2.gz OBFMERCKKFCAGS-INIZCTEOSA-N 1 1 349.475 0.865 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2N(c2cnc(C#N)cn2)CC3)C1 ZINC001069265534 789716659 /nfs/dbraw/zinc/71/66/59/789716659.db2.gz CFQBEZAXXNMGFI-DHSIGJKJSA-N 1 1 340.431 0.918 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3nc4nc(C)cc(C)n4n3)C2)C1 ZINC001073402583 789794348 /nfs/dbraw/zinc/79/43/48/789794348.db2.gz NRKRBFKMIRFYBI-UHFFFAOYSA-N 1 1 338.415 0.912 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H](Nc3ccnc(C#N)n3)C(C)(C)C2)C1 ZINC001069572088 789908272 /nfs/dbraw/zinc/90/82/72/789908272.db2.gz MOJVCKRVANCPLF-STQMWFEESA-N 1 1 328.420 0.371 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069604545 789929648 /nfs/dbraw/zinc/92/96/48/789929648.db2.gz IFNMZXIRVDOLFA-KBPBESRZSA-N 1 1 342.447 0.903 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC(Nc2ccc(C#N)cn2)C1 ZINC001069719959 789987578 /nfs/dbraw/zinc/98/75/78/789987578.db2.gz YVJARPZSLJLQIU-NRXISQOPSA-N 1 1 329.404 0.685 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC(Nc2ccc(C#N)cn2)C1 ZINC001069719959 789987584 /nfs/dbraw/zinc/98/75/84/789987584.db2.gz YVJARPZSLJLQIU-NRXISQOPSA-N 1 1 329.404 0.685 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(c3nccnc3C#N)CC2)C1 ZINC001069820421 790054393 /nfs/dbraw/zinc/05/43/93/790054393.db2.gz OXYABLJOFCHGCO-CQSZACIVSA-N 1 1 326.404 0.553 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3COCCO3)c2C1 ZINC001069854186 790101199 /nfs/dbraw/zinc/10/11/99/790101199.db2.gz XPPDXBPXPRPWIE-INIZCTEOSA-N 1 1 334.420 0.697 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3COCCO3)c2C1 ZINC001069854186 790101204 /nfs/dbraw/zinc/10/12/04/790101204.db2.gz XPPDXBPXPRPWIE-INIZCTEOSA-N 1 1 334.420 0.697 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)c2C1 ZINC001069864469 790120293 /nfs/dbraw/zinc/12/02/93/790120293.db2.gz REPWOOLHNMPGEX-IAGOWNOFSA-N 1 1 341.459 0.965 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@H]3CCCC[N@H+]3C)c2C1 ZINC001069865024 790120886 /nfs/dbraw/zinc/12/08/86/790120886.db2.gz RKUVGQXVBCKZDH-MRXNPFEDSA-N 1 1 329.448 0.823 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)C1 ZINC001069871190 790132771 /nfs/dbraw/zinc/13/27/71/790132771.db2.gz QJCAKWZVNWTCSB-OAHLLOKOSA-N 1 1 344.463 0.960 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069898623 790166989 /nfs/dbraw/zinc/16/69/89/790166989.db2.gz SKIRHLYLOGGWMB-KFWWJZLASA-N 1 1 329.408 0.653 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069898623 790166991 /nfs/dbraw/zinc/16/69/91/790166991.db2.gz SKIRHLYLOGGWMB-KFWWJZLASA-N 1 1 329.408 0.653 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069900869 790169098 /nfs/dbraw/zinc/16/90/98/790169098.db2.gz ZRGKKUWMTDTAGH-CVEARBPZSA-N 1 1 343.435 0.942 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnc(C)s2)[C@@H](n2ccnn2)C1 ZINC001069902176 790170821 /nfs/dbraw/zinc/17/08/21/790170821.db2.gz KJOURSRBGOYGHO-OLZOCXBDSA-N 1 1 330.417 0.722 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)s2)[C@@H](n2ccnn2)C1 ZINC001069902176 790170823 /nfs/dbraw/zinc/17/08/23/790170823.db2.gz KJOURSRBGOYGHO-OLZOCXBDSA-N 1 1 330.417 0.722 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069904531 790174264 /nfs/dbraw/zinc/17/42/64/790174264.db2.gz FKMSXPBFMOILBM-KGLIPLIRSA-N 1 1 327.392 0.297 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069904531 790174268 /nfs/dbraw/zinc/17/42/68/790174268.db2.gz FKMSXPBFMOILBM-KGLIPLIRSA-N 1 1 327.392 0.297 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069906919 790176269 /nfs/dbraw/zinc/17/62/69/790176269.db2.gz IGFVDVVLEIETKE-KGLIPLIRSA-N 1 1 328.376 0.610 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](n2ccnn2)C1 ZINC001069915058 790184873 /nfs/dbraw/zinc/18/48/73/790184873.db2.gz JKFJFNVSXIMSAR-KGLIPLIRSA-N 1 1 335.408 0.349 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](n2ccnn2)C1 ZINC001069915058 790184875 /nfs/dbraw/zinc/18/48/75/790184875.db2.gz JKFJFNVSXIMSAR-KGLIPLIRSA-N 1 1 335.408 0.349 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2CC)[C@@H](n2ccnn2)C1 ZINC001069916142 790186088 /nfs/dbraw/zinc/18/60/88/790186088.db2.gz GEFYESMLTMKDOL-CVEARBPZSA-N 1 1 326.404 0.847 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](n2ccnn2)C1 ZINC001069918425 790188409 /nfs/dbraw/zinc/18/84/09/790188409.db2.gz PUUCVNDNAMTFTR-CABCVRRESA-N 1 1 327.392 0.228 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069924807 790196135 /nfs/dbraw/zinc/19/61/35/790196135.db2.gz GTCDNDQGURZQLW-KGLIPLIRSA-N 1 1 344.423 0.255 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001069924807 790196136 /nfs/dbraw/zinc/19/61/36/790196136.db2.gz GTCDNDQGURZQLW-KGLIPLIRSA-N 1 1 344.423 0.255 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001069924807 790196138 /nfs/dbraw/zinc/19/61/38/790196138.db2.gz GTCDNDQGURZQLW-KGLIPLIRSA-N 1 1 344.423 0.255 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@@H](n2ccnn2)C1 ZINC001069936523 790210447 /nfs/dbraw/zinc/21/04/47/790210447.db2.gz GQKKOLJIYMVRDQ-PWSUYJOCSA-N 1 1 337.334 0.711 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@@H](n2ccnn2)C1 ZINC001069936523 790210452 /nfs/dbraw/zinc/21/04/52/790210452.db2.gz GQKKOLJIYMVRDQ-PWSUYJOCSA-N 1 1 337.334 0.711 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942212 790218373 /nfs/dbraw/zinc/21/83/73/790218373.db2.gz RPCBIWAKQGAWCR-ZACQAIPSSA-N 1 1 344.463 0.517 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069953604 790235690 /nfs/dbraw/zinc/23/56/90/790235690.db2.gz NPFWKHURLXGEET-OLZOCXBDSA-N 1 1 329.364 0.005 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2CC)[C@@H](n2ccnn2)C1 ZINC001069966961 790253620 /nfs/dbraw/zinc/25/36/20/790253620.db2.gz FCIGTFILTRZHTB-CABCVRRESA-N 1 1 327.392 0.242 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CC)[C@@H](n2ccnn2)C1 ZINC001069966961 790253623 /nfs/dbraw/zinc/25/36/23/790253623.db2.gz FCIGTFILTRZHTB-CABCVRRESA-N 1 1 327.392 0.242 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001068864959 791298320 /nfs/dbraw/zinc/29/83/20/791298320.db2.gz PJAYEDDGJYBSDN-OAHLLOKOSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1C)CO2 ZINC001068873852 791319688 /nfs/dbraw/zinc/31/96/88/791319688.db2.gz GHLZAPQKPJHSIB-CQSZACIVSA-N 1 1 332.404 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(C(=O)CCCC)C2)C1 ZINC001068911369 791400998 /nfs/dbraw/zinc/40/09/98/791400998.db2.gz UBZCHJKJLAVPDS-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(C(=O)CCCC)C2)C1 ZINC001068911369 791401003 /nfs/dbraw/zinc/40/10/03/791401003.db2.gz UBZCHJKJLAVPDS-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)CO2 ZINC001069038900 791632952 /nfs/dbraw/zinc/63/29/52/791632952.db2.gz AVHKJOCALAMBJJ-HZPDHXFCSA-N 1 1 347.459 0.616 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2cnc(C#N)cn2)C[C@@H]1C ZINC001069107195 791707294 /nfs/dbraw/zinc/70/72/94/791707294.db2.gz LYDOVALVCZVJDD-WCQYABFASA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2cncc(C#N)n2)C[C@H]1C ZINC001069107913 791707993 /nfs/dbraw/zinc/70/79/93/791707993.db2.gz UDFOBABHPUHKEJ-DGCLKSJQSA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](CNc2cncc(C#N)n2)C1 ZINC001066675893 791970223 /nfs/dbraw/zinc/97/02/23/791970223.db2.gz WLGUWAYICXWXIE-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2cc(F)ncn2)C1 ZINC001066690769 792001425 /nfs/dbraw/zinc/00/14/25/792001425.db2.gz XGVWOUOAGDRKFX-KGLIPLIRSA-N 1 1 347.394 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2cc(F)ncn2)C1 ZINC001066690769 792001435 /nfs/dbraw/zinc/00/14/35/792001435.db2.gz XGVWOUOAGDRKFX-KGLIPLIRSA-N 1 1 347.394 0.353 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)COCCC=C ZINC001067689806 792104716 /nfs/dbraw/zinc/10/47/16/792104716.db2.gz RDLFKGBSHPTSKQ-KRWDZBQOSA-N 1 1 349.475 0.984 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)COCCC=C ZINC001067689806 792104722 /nfs/dbraw/zinc/10/47/22/792104722.db2.gz RDLFKGBSHPTSKQ-KRWDZBQOSA-N 1 1 349.475 0.984 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccncc3C#N)C2)C1 ZINC001067838483 792350915 /nfs/dbraw/zinc/35/09/15/792350915.db2.gz JQRQGEUVXAVAHC-LDZOIKDWSA-N 1 1 329.404 0.012 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccncc3C#N)C2)C1 ZINC001067838483 792350926 /nfs/dbraw/zinc/35/09/26/792350926.db2.gz JQRQGEUVXAVAHC-LDZOIKDWSA-N 1 1 329.404 0.012 20 30 ECEDMO Cc1cc(C#N)nc(NCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001067852022 792370011 /nfs/dbraw/zinc/37/00/11/792370011.db2.gz KJDQQDXBRBWJQQ-MOKVOYLWSA-N 1 1 328.420 0.915 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CC(CNc3ccnc(C#N)n3)C2)C1 ZINC001067856971 792381581 /nfs/dbraw/zinc/38/15/81/792381581.db2.gz VAVHTKOHXPJPEW-IYXRBSQSSA-N 1 1 328.420 0.419 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067889288 792428155 /nfs/dbraw/zinc/42/81/55/792428155.db2.gz SXMRLUTXVTVXDI-HSBZDZAISA-N 1 1 328.420 0.561 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(CNc3ccc(C#N)nc3)C2)O1 ZINC001067899280 792445652 /nfs/dbraw/zinc/44/56/52/792445652.db2.gz QYRFBOAMCKZLBW-PSPNYPNSSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(CNc3ccc(C#N)nc3)C2)O1 ZINC001067899280 792445658 /nfs/dbraw/zinc/44/56/58/792445658.db2.gz QYRFBOAMCKZLBW-PSPNYPNSSA-N 1 1 343.431 0.979 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1C ZINC001067979800 792537387 /nfs/dbraw/zinc/53/73/87/792537387.db2.gz IJLNJJHYKNCWRN-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1C ZINC001067980206 792537455 /nfs/dbraw/zinc/53/74/55/792537455.db2.gz LOYJNAXWQLIBEN-GXTWGEPZSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001067001710 792545830 /nfs/dbraw/zinc/54/58/30/792545830.db2.gz PGHFYNLYFHPWHL-HUUCEWRRSA-N 1 1 325.453 0.836 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)CC2(C)C)C1 ZINC001068102142 792673519 /nfs/dbraw/zinc/67/35/19/792673519.db2.gz IKMXIYPKASTREY-UONOGXRCSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)CC2(C)C)C1 ZINC001068102142 792673527 /nfs/dbraw/zinc/67/35/27/792673527.db2.gz IKMXIYPKASTREY-UONOGXRCSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)CC2(C)C)C1 ZINC001068102143 792673657 /nfs/dbraw/zinc/67/36/57/792673657.db2.gz IKMXIYPKASTREY-ZIAGYGMSSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)CC2(C)C)C1 ZINC001068102143 792673662 /nfs/dbraw/zinc/67/36/62/792673662.db2.gz IKMXIYPKASTREY-ZIAGYGMSSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3ccnc(C#N)n3)CC2(C)C)C1 ZINC001068102479 792674585 /nfs/dbraw/zinc/67/45/85/792674585.db2.gz QKHMVWIYOVKRBF-STQMWFEESA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3ccnc(C#N)n3)CC2(C)C)C1 ZINC001068102479 792674592 /nfs/dbraw/zinc/67/45/92/792674592.db2.gz QKHMVWIYOVKRBF-STQMWFEESA-N 1 1 344.419 0.010 20 30 ECEDMO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001067079987 792676321 /nfs/dbraw/zinc/67/63/21/792676321.db2.gz HPBXOSGAEVJCEK-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001067079987 792676327 /nfs/dbraw/zinc/67/63/27/792676327.db2.gz HPBXOSGAEVJCEK-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)CC2(C)C)C1 ZINC001068102743 792676898 /nfs/dbraw/zinc/67/68/98/792676898.db2.gz WUWRFEPYQJVOCG-ZIAGYGMSSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)CC2(C)C)C1 ZINC001068102743 792676901 /nfs/dbraw/zinc/67/69/01/792676901.db2.gz WUWRFEPYQJVOCG-ZIAGYGMSSA-N 1 1 344.419 0.010 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1ccc(C#N)nc1 ZINC001067118687 792717453 /nfs/dbraw/zinc/71/74/53/792717453.db2.gz ONXPKBRRBKEFPC-WMLDXEAASA-N 1 1 343.431 0.934 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2ccc(C#N)nn2)[C@@H](C)C1 ZINC001067165772 792769541 /nfs/dbraw/zinc/76/95/41/792769541.db2.gz BHNIRNAMLUTQNR-FZMZJTMJSA-N 1 1 325.376 0.812 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2cnc(C#N)cn2)[C@@H](C)C1 ZINC001067167212 792770213 /nfs/dbraw/zinc/77/02/13/792770213.db2.gz VAORIBONLXDLDJ-FZMZJTMJSA-N 1 1 325.376 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(F)cn3)C[C@H]21 ZINC001068208466 792830138 /nfs/dbraw/zinc/83/01/38/792830138.db2.gz MDRHCCCUPVCZOM-XQLPTFJDSA-N 1 1 343.406 0.512 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(F)cn3)C[C@H]21 ZINC001068208466 792830143 /nfs/dbraw/zinc/83/01/43/792830143.db2.gz MDRHCCCUPVCZOM-XQLPTFJDSA-N 1 1 343.406 0.512 20 30 ECEDMO C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001067289244 792941742 /nfs/dbraw/zinc/94/17/42/792941742.db2.gz NJNQGVFUQYOAGJ-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCCN(C)C(=O)C#CC2CC2)C1 ZINC001067377908 793060703 /nfs/dbraw/zinc/06/07/03/793060703.db2.gz LYTYFQBXZRTHAL-MRXNPFEDSA-N 1 1 335.448 0.427 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCCN(C)C(=O)C#CC2CC2)C1 ZINC001067377908 793060714 /nfs/dbraw/zinc/06/07/14/793060714.db2.gz LYTYFQBXZRTHAL-MRXNPFEDSA-N 1 1 335.448 0.427 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C#CC(C)C)CCO2 ZINC001068395075 793202266 /nfs/dbraw/zinc/20/22/66/793202266.db2.gz MYONWOQUDLBKNC-UHFFFAOYSA-N 1 1 335.448 0.427 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)C#CC(C)(C)C)CCO2 ZINC001068395567 793203903 /nfs/dbraw/zinc/20/39/03/793203903.db2.gz GEVRXOJIUOAESX-HNNXBMFYSA-N 1 1 347.459 0.570 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C#CC(C)(C)C)CCO2 ZINC001068395578 793204028 /nfs/dbraw/zinc/20/40/28/793204028.db2.gz GMPPYUHIHUDASJ-UHFFFAOYSA-N 1 1 349.475 0.818 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC001068399015 793216457 /nfs/dbraw/zinc/21/64/57/793216457.db2.gz NCQRWXCKFXBTSH-UHFFFAOYSA-N 1 1 332.404 0.598 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCOC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068413311 793263246 /nfs/dbraw/zinc/26/32/46/793263246.db2.gz FCGTWNPIEBNRNH-UHFFFAOYSA-N 1 1 344.415 0.291 20 30 ECEDMO C=CCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001068451603 793335165 /nfs/dbraw/zinc/33/51/65/793335165.db2.gz QCWPAXHESRLKSG-JKSUJKDBSA-N 1 1 349.475 0.980 20 30 ECEDMO CNC(=O)C1(C(=O)N(C)CC[NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001267440683 837420299 /nfs/dbraw/zinc/42/02/99/837420299.db2.gz VZLTZLOCHPVFIV-UHFFFAOYSA-N 1 1 332.379 0.772 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267496629 837567074 /nfs/dbraw/zinc/56/70/74/837567074.db2.gz XHPBKCUYROBYGO-ZIAGYGMSSA-N 1 1 334.420 0.311 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)Cn1cnnn1)Cc1ccc(C#N)cc1 ZINC001267497263 837568725 /nfs/dbraw/zinc/56/87/25/837568725.db2.gz BMVVEFVGAWQNFK-UHFFFAOYSA-N 1 1 341.419 0.962 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](CCCNC(=O)C(N)=O)C(C)C)c1 ZINC001267508060 837595292 /nfs/dbraw/zinc/59/52/92/837595292.db2.gz PZFAJRZWMOPWLU-UHFFFAOYSA-N 1 1 344.415 0.308 20 30 ECEDMO C[N@@H+](Cc1ccc(S(N)(=O)=O)o1)C[C@@H](O)c1cccc(C#N)c1 ZINC001414166549 837609965 /nfs/dbraw/zinc/60/99/65/837609965.db2.gz VYDZVMZJWMWTOY-CQSZACIVSA-N 1 1 335.385 0.964 20 30 ECEDMO C[N@H+](Cc1ccc(S(N)(=O)=O)o1)C[C@@H](O)c1cccc(C#N)c1 ZINC001414166549 837609968 /nfs/dbraw/zinc/60/99/68/837609968.db2.gz VYDZVMZJWMWTOY-CQSZACIVSA-N 1 1 335.385 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CCNC(=O)c3ncc[nH]3)C2)C1=O ZINC001267523753 837682439 /nfs/dbraw/zinc/68/24/39/837682439.db2.gz LXFKXFPZHIKQDI-KGLIPLIRSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001267530764 837703783 /nfs/dbraw/zinc/70/37/83/837703783.db2.gz ZPZPJDGDRNDYDZ-VQHPVUNQSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2nn(C)cc2C)C1 ZINC001267531657 837705451 /nfs/dbraw/zinc/70/54/51/837705451.db2.gz WNWWNJVMMNJDJR-CABCVRRESA-N 1 1 347.463 0.861 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2cnc3n2CCOC3)C1 ZINC001267536228 837715621 /nfs/dbraw/zinc/71/56/21/837715621.db2.gz OVQNEEKJECPOIT-HNNXBMFYSA-N 1 1 346.431 0.505 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001267545195 837735022 /nfs/dbraw/zinc/73/50/22/837735022.db2.gz PMJRHZGIGOTINS-ZWKOTPCHSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](CCNC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001267544466 837733749 /nfs/dbraw/zinc/73/37/49/837733749.db2.gz LTLDHNULWFGQNI-OAHLLOKOSA-N 1 1 332.448 0.836 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CCNC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001267544466 837733763 /nfs/dbraw/zinc/73/37/63/837733763.db2.gz LTLDHNULWFGQNI-OAHLLOKOSA-N 1 1 332.448 0.836 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267547779 837742916 /nfs/dbraw/zinc/74/29/16/837742916.db2.gz RANDGAWMSXTKOR-GJZGRUSLSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267547779 837742925 /nfs/dbraw/zinc/74/29/25/837742925.db2.gz RANDGAWMSXTKOR-GJZGRUSLSA-N 1 1 345.447 0.403 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CCNC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001267554832 837760935 /nfs/dbraw/zinc/76/09/35/837760935.db2.gz XCKGADDDKOEMHR-GOEBONIOSA-N 1 1 345.447 0.567 20 30 ECEDMO CCc1cccnc1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267557607 837766336 /nfs/dbraw/zinc/76/63/36/837766336.db2.gz IZOSWBKWTBNJGH-CQSZACIVSA-N 1 1 343.431 0.726 20 30 ECEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001267558919 837768875 /nfs/dbraw/zinc/76/88/75/837768875.db2.gz JXCSJDMERDLXPA-OAHLLOKOSA-N 1 1 348.447 0.341 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001267567777 837788964 /nfs/dbraw/zinc/78/89/64/837788964.db2.gz OWVDIUPBQCVBKK-CVEARBPZSA-N 1 1 345.447 0.412 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)CCc2cc(C)on2)C1 ZINC001267570329 837799386 /nfs/dbraw/zinc/79/93/86/837799386.db2.gz MTJIRQWNDDZOHT-OAHLLOKOSA-N 1 1 346.431 0.493 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CN3CCOCC3)[C@H]2C1 ZINC001083276090 837802234 /nfs/dbraw/zinc/80/22/34/837802234.db2.gz LXOHVZNSBFGAFQ-IXDOHACOSA-N 1 1 337.464 0.442 20 30 ECEDMO C=CCCC(=O)N(C)CCN1CC[NH+](CCN2CCNC2=O)CC1 ZINC001267574047 837819899 /nfs/dbraw/zinc/81/98/99/837819899.db2.gz TXQMZORDDMGTDP-UHFFFAOYSA-N 1 1 337.468 0.054 20 30 ECEDMO C=CCCC(=O)N(C)CC[NH+]1CCN(CCN2CCNC2=O)CC1 ZINC001267574047 837819907 /nfs/dbraw/zinc/81/99/07/837819907.db2.gz TXQMZORDDMGTDP-UHFFFAOYSA-N 1 1 337.468 0.054 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001267575051 837824982 /nfs/dbraw/zinc/82/49/82/837824982.db2.gz AWGHHWIKFNHXCH-AWEZNQCLSA-N 1 1 328.416 0.954 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001267575334 837826694 /nfs/dbraw/zinc/82/66/94/837826694.db2.gz BITMLTFMMGLIFW-UHFFFAOYSA-N 1 1 346.431 0.127 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cncnc2C2CC2)CC1 ZINC001267576121 837829540 /nfs/dbraw/zinc/82/95/40/837829540.db2.gz RJOSITRNUDALLI-UHFFFAOYSA-N 1 1 327.432 0.677 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC001267576973 837833344 /nfs/dbraw/zinc/83/33/44/837833344.db2.gz CLXLZPDUUONGCI-KBPBESRZSA-N 1 1 329.404 0.008 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)C1 ZINC001266246066 835551481 /nfs/dbraw/zinc/55/14/81/835551481.db2.gz KEJVFMLPLDEHQP-CQSZACIVSA-N 1 1 331.482 0.815 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)/C=C\c1ccco1 ZINC001266250342 835555739 /nfs/dbraw/zinc/55/57/39/835555739.db2.gz NCGLCTAFBALFAT-SREVYHEPSA-N 1 1 334.376 0.353 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)/C=C\c1ccco1 ZINC001266250342 835555744 /nfs/dbraw/zinc/55/57/44/835555744.db2.gz NCGLCTAFBALFAT-SREVYHEPSA-N 1 1 334.376 0.353 20 30 ECEDMO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1)N1CCCC1=O ZINC001266252078 835556745 /nfs/dbraw/zinc/55/67/45/835556745.db2.gz MFYYVXREGZJHHQ-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1)N1CCCC1=O ZINC001266252078 835556756 /nfs/dbraw/zinc/55/67/56/835556756.db2.gz MFYYVXREGZJHHQ-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CC[NH+](CCCNC(=O)C2CCC2)CC1 ZINC001266254779 835560386 /nfs/dbraw/zinc/56/03/86/835560386.db2.gz VHFXGYNPDYETFO-OAHLLOKOSA-N 1 1 334.464 0.048 20 30 ECEDMO C=C(Cl)CN1CC[NH+](CCCNC(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001266259547 835567333 /nfs/dbraw/zinc/56/73/33/835567333.db2.gz HKQNUMRYFINCLG-AWEZNQCLSA-N 1 1 343.855 0.816 20 30 ECEDMO C=CCCC(=O)NCC[N@@H+](C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC001266262592 835573209 /nfs/dbraw/zinc/57/32/09/835573209.db2.gz QFHHDUMEYSXBAR-AWEZNQCLSA-N 1 1 333.436 0.848 20 30 ECEDMO C=CCCC(=O)NCC[N@H+](C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC001266262592 835573218 /nfs/dbraw/zinc/57/32/18/835573218.db2.gz QFHHDUMEYSXBAR-AWEZNQCLSA-N 1 1 333.436 0.848 20 30 ECEDMO C=C(C)CN1CC[NH+](CCCNC(=O)CCn2cnccc2=O)CC1 ZINC001266276133 835601117 /nfs/dbraw/zinc/60/11/17/835601117.db2.gz ZOTMNDUNHKZPFR-UHFFFAOYSA-N 1 1 347.463 0.333 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccn(CC(C)C)n1 ZINC001266278660 835605329 /nfs/dbraw/zinc/60/53/29/835605329.db2.gz NGHXIYUZACXILJ-AWEZNQCLSA-N 1 1 333.436 0.339 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccn(CC(C)C)n1 ZINC001266278660 835605331 /nfs/dbraw/zinc/60/53/31/835605331.db2.gz NGHXIYUZACXILJ-AWEZNQCLSA-N 1 1 333.436 0.339 20 30 ECEDMO CCc1n[nH]c(=O)c(C(=O)NCC[N@@H+](C)CC#CCOC)c1CC ZINC001266280733 835608902 /nfs/dbraw/zinc/60/89/02/835608902.db2.gz RAYVRKKENCVDQT-UHFFFAOYSA-N 1 1 334.420 0.618 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2c(C)[nH]cc2NC(C)=O)CC1 ZINC001266288278 835631176 /nfs/dbraw/zinc/63/11/76/835631176.db2.gz VNLGJHHHXFVTNP-UHFFFAOYSA-N 1 1 331.420 0.262 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001266311077 835679358 /nfs/dbraw/zinc/67/93/58/835679358.db2.gz QTWGCCASKPPSCF-HNNXBMFYSA-N 1 1 332.404 0.608 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001266311077 835679359 /nfs/dbraw/zinc/67/93/59/835679359.db2.gz QTWGCCASKPPSCF-HNNXBMFYSA-N 1 1 332.404 0.608 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2cccnc21 ZINC001266313278 835680786 /nfs/dbraw/zinc/68/07/86/835680786.db2.gz IJLXDOVTUGPPPN-UKRRQHHQSA-N 1 1 328.416 0.297 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2cccnc21 ZINC001266313278 835680790 /nfs/dbraw/zinc/68/07/90/835680790.db2.gz IJLXDOVTUGPPPN-UKRRQHHQSA-N 1 1 328.416 0.297 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2nccc3occc32)C1 ZINC001266331447 835713037 /nfs/dbraw/zinc/71/30/37/835713037.db2.gz QKYPANXYROWLCM-QWHCGFSZSA-N 1 1 340.383 0.770 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2nccc3occc32)C1 ZINC001266331447 835713043 /nfs/dbraw/zinc/71/30/43/835713043.db2.gz QKYPANXYROWLCM-QWHCGFSZSA-N 1 1 340.383 0.770 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001266335273 835717998 /nfs/dbraw/zinc/71/79/98/835717998.db2.gz OXYWVVNHNLJZFQ-KWCYVHTRSA-N 1 1 336.436 0.481 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001266335273 835718000 /nfs/dbraw/zinc/71/80/00/835718000.db2.gz OXYWVVNHNLJZFQ-KWCYVHTRSA-N 1 1 336.436 0.481 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001266343053 835730705 /nfs/dbraw/zinc/73/07/05/835730705.db2.gz XNVIDSCICBZPSU-KBPBESRZSA-N 1 1 334.424 0.019 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345343 835735227 /nfs/dbraw/zinc/73/52/27/835735227.db2.gz RRLJOYZEBIKRKI-UKRRQHHQSA-N 1 1 345.447 0.642 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345343 835735234 /nfs/dbraw/zinc/73/52/34/835735234.db2.gz RRLJOYZEBIKRKI-UKRRQHHQSA-N 1 1 345.447 0.642 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 ZINC001266347437 835738070 /nfs/dbraw/zinc/73/80/70/835738070.db2.gz ORVDUDJXIJAUBM-HNNXBMFYSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CCc2cncn2C)C1=O ZINC001266354836 835757738 /nfs/dbraw/zinc/75/77/38/835757738.db2.gz OXZNWXFOPZUEJS-OAHLLOKOSA-N 1 1 333.436 0.188 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)CCc2cncn2C)C1=O ZINC001266354836 835757746 /nfs/dbraw/zinc/75/77/46/835757746.db2.gz OXZNWXFOPZUEJS-OAHLLOKOSA-N 1 1 333.436 0.188 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC001266358632 835766278 /nfs/dbraw/zinc/76/62/78/835766278.db2.gz FSSYKKHUZVZSHE-YPMHNXCESA-N 1 1 336.461 0.875 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC001266358632 835766286 /nfs/dbraw/zinc/76/62/86/835766286.db2.gz FSSYKKHUZVZSHE-YPMHNXCESA-N 1 1 336.461 0.875 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001266362205 835772963 /nfs/dbraw/zinc/77/29/63/835772963.db2.gz ZKNMGXJLAVFPLD-QWHCGFSZSA-N 1 1 348.472 0.576 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001266362205 835772970 /nfs/dbraw/zinc/77/29/70/835772970.db2.gz ZKNMGXJLAVFPLD-QWHCGFSZSA-N 1 1 348.472 0.576 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCOC2)CC1 ZINC001266368107 835780117 /nfs/dbraw/zinc/78/01/17/835780117.db2.gz DCJBNHXFLIVMKB-CABCVRRESA-N 1 1 348.447 0.414 20 30 ECEDMO Cc1nnccc1C(=O)N[C@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001266373655 835786104 /nfs/dbraw/zinc/78/61/04/835786104.db2.gz ISKUDHWNBXZNHB-AWEZNQCLSA-N 1 1 342.403 0.009 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)C[C@@H]2CCOC2)CC1 ZINC001266384781 835795345 /nfs/dbraw/zinc/79/53/45/835795345.db2.gz VKUFQARPWDTRFR-INIZCTEOSA-N 1 1 349.475 0.865 20 30 ECEDMO COCCCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001266451919 835855099 /nfs/dbraw/zinc/85/50/99/835855099.db2.gz IOFQVGUIDDEOEP-HUUCEWRRSA-N 1 1 338.452 0.469 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001266455427 835858321 /nfs/dbraw/zinc/85/83/21/835858321.db2.gz DQSVGXSOQYUXQO-GJZGRUSLSA-N 1 1 338.452 0.254 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H](C[N@@H+](C)CC(=O)NC2CC2)C1 ZINC001266456434 835859398 /nfs/dbraw/zinc/85/93/98/835859398.db2.gz WEZKCHMIRAKSKX-CABCVRRESA-N 1 1 335.448 0.474 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCC[N@H+]1CCCN1CCCC1=O ZINC001266457856 835861037 /nfs/dbraw/zinc/86/10/37/835861037.db2.gz NTBSMQJYJRQOFZ-CRAIPNDOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001266460004 835862177 /nfs/dbraw/zinc/86/21/77/835862177.db2.gz VSYVUOCFDLOWAG-AWEZNQCLSA-N 1 1 331.482 0.624 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001266471132 835872900 /nfs/dbraw/zinc/87/29/00/835872900.db2.gz IYNLESQZPDJOAC-ZDUSSCGKSA-N 1 1 343.387 0.508 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001266471132 835872906 /nfs/dbraw/zinc/87/29/06/835872906.db2.gz IYNLESQZPDJOAC-ZDUSSCGKSA-N 1 1 343.387 0.508 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnnc1C ZINC001266471493 835874310 /nfs/dbraw/zinc/87/43/10/835874310.db2.gz PZTPUKPFAFRLKX-ZIAGYGMSSA-N 1 1 331.420 0.670 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccnnc1C ZINC001266471493 835874314 /nfs/dbraw/zinc/87/43/14/835874314.db2.gz PZTPUKPFAFRLKX-ZIAGYGMSSA-N 1 1 331.420 0.670 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N1CCC[C@H](C[N@@H+](C)CCO)C1 ZINC001266472041 835876485 /nfs/dbraw/zinc/87/64/85/835876485.db2.gz BBYUIRGSXQCNAO-CQSZACIVSA-N 1 1 340.468 0.413 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cn1nccc1C ZINC001266482430 835881773 /nfs/dbraw/zinc/88/17/73/835881773.db2.gz BKMFOWKBLZYMKO-GJZGRUSLSA-N 1 1 333.436 0.463 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cn1nccc1C ZINC001266482430 835881778 /nfs/dbraw/zinc/88/17/78/835881778.db2.gz BKMFOWKBLZYMKO-GJZGRUSLSA-N 1 1 333.436 0.463 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001266488075 835887928 /nfs/dbraw/zinc/88/79/28/835887928.db2.gz BRJARGKEXDZBQS-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)CCOCC1 ZINC001266491999 835891856 /nfs/dbraw/zinc/89/18/56/835891856.db2.gz FVPLUKWPPQGYRH-LSDHHAIUSA-N 1 1 335.448 0.828 20 30 ECEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCNC2=O)CCOCC1 ZINC001266491999 835891858 /nfs/dbraw/zinc/89/18/58/835891858.db2.gz FVPLUKWPPQGYRH-LSDHHAIUSA-N 1 1 335.448 0.828 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001266498467 835898546 /nfs/dbraw/zinc/89/85/46/835898546.db2.gz WRNBHHALSPACIA-QAPCUYQASA-N 1 1 335.448 0.666 20 30 ECEDMO C[C@@H](C[N@H+]1CC[C@@H](CNC(=O)CSCC#N)C1)CS(C)(=O)=O ZINC001266500090 835901155 /nfs/dbraw/zinc/90/11/55/835901155.db2.gz LXLQTIWPDWBGAD-STQMWFEESA-N 1 1 347.506 0.362 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001266501012 835901787 /nfs/dbraw/zinc/90/17/87/835901787.db2.gz ZWPUIZXJCICSTA-OLZOCXBDSA-N 1 1 333.436 0.715 20 30 ECEDMO C=CCNC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001266501899 835902758 /nfs/dbraw/zinc/90/27/58/835902758.db2.gz NVGSKHQRFNKUKW-HRCADAONSA-N 1 1 336.480 0.693 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccccn1 ZINC001266502011 835903386 /nfs/dbraw/zinc/90/33/86/835903386.db2.gz RXEDMHKWCSZHKM-GASCZTMLSA-N 1 1 326.400 0.510 20 30 ECEDMO COCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C#CC(C)C)C2)CC1 ZINC001266504532 835905655 /nfs/dbraw/zinc/90/56/55/835905655.db2.gz HGMGVNQCBFXQOF-KRWDZBQOSA-N 1 1 349.475 0.675 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001266513946 835924660 /nfs/dbraw/zinc/92/46/60/835924660.db2.gz JDFNXTDKNMKYNA-HOTGVXAUSA-N 1 1 332.448 0.922 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccnn2C2CCC2)C1 ZINC001266513822 835925038 /nfs/dbraw/zinc/92/50/38/835925038.db2.gz HPHVRQGNQAGSMH-CQSZACIVSA-N 1 1 343.431 0.409 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC001266514730 835925749 /nfs/dbraw/zinc/92/57/49/835925749.db2.gz GLRFUZFPMBUQDH-JTQLQIEISA-N 1 1 348.329 0.129 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N[C@H](C)CC)C2)nn1 ZINC001266537254 835955226 /nfs/dbraw/zinc/95/52/26/835955226.db2.gz HHJMHLKDODATII-ZIAGYGMSSA-N 1 1 348.451 0.431 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)Cn3nccc3C)C2)C1=O ZINC001266537017 835955583 /nfs/dbraw/zinc/95/55/83/835955583.db2.gz CIKXOKWQKALEKM-HZPDHXFCSA-N 1 1 345.447 0.417 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC001266537344 835955828 /nfs/dbraw/zinc/95/58/28/835955828.db2.gz JUAOGVATSUYLDW-ZDUSSCGKSA-N 1 1 341.415 0.155 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001266539593 835960088 /nfs/dbraw/zinc/96/00/88/835960088.db2.gz FEIRLEKCXRUGEL-CABCVRRESA-N 1 1 347.463 0.954 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001266543603 835965756 /nfs/dbraw/zinc/96/57/56/835965756.db2.gz QBFWOJGLIKSXEO-AWEZNQCLSA-N 1 1 331.420 0.692 20 30 ECEDMO CO[C@@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CCCC1 ZINC001266546710 835968220 /nfs/dbraw/zinc/96/82/20/835968220.db2.gz VRDKQPKTMDRSSH-CZUORRHYSA-N 1 1 336.436 0.269 20 30 ECEDMO CO[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCCC1 ZINC001266546710 835968227 /nfs/dbraw/zinc/96/82/27/835968227.db2.gz VRDKQPKTMDRSSH-CZUORRHYSA-N 1 1 336.436 0.269 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cnc(C2CC2)o1)C1CC1 ZINC001266594434 836026338 /nfs/dbraw/zinc/02/63/38/836026338.db2.gz KZTDFHHIWCYEIU-LBPRGKRZSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cnc(C2CC2)o1)C1CC1 ZINC001266594434 836026350 /nfs/dbraw/zinc/02/63/50/836026350.db2.gz KZTDFHHIWCYEIU-LBPRGKRZSA-N 1 1 344.415 0.884 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)Cn1cc(C2CC2)cn1)C1CC1 ZINC001266599900 836033375 /nfs/dbraw/zinc/03/33/75/836033375.db2.gz BITUUFVZNBZVQO-UHFFFAOYSA-N 1 1 330.432 0.991 20 30 ECEDMO C=CCC1(C(=O)NCC[N@@H+](CC(=O)NC(=O)NC)C2CC2)CCC1 ZINC001266609655 836043793 /nfs/dbraw/zinc/04/37/93/836043793.db2.gz TXEQVIQLDCYAQN-UHFFFAOYSA-N 1 1 336.436 0.769 20 30 ECEDMO C=CCC1(C(=O)NCC[N@H+](CC(=O)NC(=O)NC)C2CC2)CCC1 ZINC001266609655 836043805 /nfs/dbraw/zinc/04/38/05/836043805.db2.gz TXEQVIQLDCYAQN-UHFFFAOYSA-N 1 1 336.436 0.769 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CC(=O)NCC2CC2)C2CC2)nc1 ZINC001266617786 836053115 /nfs/dbraw/zinc/05/31/15/836053115.db2.gz XCTQFPTVPONZQQ-UHFFFAOYSA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC(=O)NCC2CC2)C2CC2)nc1 ZINC001266617786 836053129 /nfs/dbraw/zinc/05/31/29/836053129.db2.gz XCTQFPTVPONZQQ-UHFFFAOYSA-N 1 1 340.427 0.783 20 30 ECEDMO CC(C)C#CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCS(C)(=O)=O ZINC001266648292 836082577 /nfs/dbraw/zinc/08/25/77/836082577.db2.gz TUBYFTYCBRSGEJ-GOOCMWNKSA-N 1 1 326.462 0.802 20 30 ECEDMO CC(C)C#CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCS(C)(=O)=O ZINC001266648292 836082587 /nfs/dbraw/zinc/08/25/87/836082587.db2.gz TUBYFTYCBRSGEJ-GOOCMWNKSA-N 1 1 326.462 0.802 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc[nH]c2)C1 ZINC001266659074 836094677 /nfs/dbraw/zinc/09/46/77/836094677.db2.gz MAWZBQKMWUGXCF-LSDHHAIUSA-N 1 1 329.404 0.581 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc[nH]c2)C1 ZINC001266659074 836094688 /nfs/dbraw/zinc/09/46/88/836094688.db2.gz MAWZBQKMWUGXCF-LSDHHAIUSA-N 1 1 329.404 0.581 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CN(C(C)=O)C2)C1 ZINC001266658374 836094808 /nfs/dbraw/zinc/09/48/08/836094808.db2.gz CEJIIFNZSAESBW-WMZOPIPTSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cocn2)C1 ZINC001266660050 836097097 /nfs/dbraw/zinc/09/70/97/836097097.db2.gz UJWWORTWARITAG-ZFWWWQNUSA-N 1 1 332.404 0.903 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2nnc(C)[nH]2)C1 ZINC001266660295 836098700 /nfs/dbraw/zinc/09/87/00/836098700.db2.gz VZUORWFMWYGDMQ-CVEARBPZSA-N 1 1 345.447 0.618 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ccnc2)C1 ZINC001266662131 836099832 /nfs/dbraw/zinc/09/98/32/836099832.db2.gz CDSPALVVNCRPPG-SJORKVTESA-N 1 1 330.432 0.846 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccnc2)C1 ZINC001266662126 836099897 /nfs/dbraw/zinc/09/98/97/836099897.db2.gz CDSPALVVNCRPPG-IAGOWNOFSA-N 1 1 330.432 0.846 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ncccn2)C1 ZINC001266664143 836101751 /nfs/dbraw/zinc/10/17/51/836101751.db2.gz VSZAPRVWMWGYNP-CABCVRRESA-N 1 1 341.415 0.153 20 30 ECEDMO C=CCOCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC001266671882 836115876 /nfs/dbraw/zinc/11/58/76/836115876.db2.gz FXTQPYVXPRUQDP-TXEJJXNPSA-N 1 1 344.375 0.466 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3cnc(C#N)cn3)CCO2)C1 ZINC001104349945 836191515 /nfs/dbraw/zinc/19/15/15/836191515.db2.gz NHZDKVLIMCKCLB-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2cnns2)C1 ZINC001266740003 836223601 /nfs/dbraw/zinc/22/36/01/836223601.db2.gz ICDQNMFSZNGLHZ-NWDGAFQWSA-N 1 1 335.433 0.118 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001266746196 836232828 /nfs/dbraw/zinc/23/28/28/836232828.db2.gz DBGMOYWVMJYPOK-KBPBESRZSA-N 1 1 341.415 0.466 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001266754555 836249741 /nfs/dbraw/zinc/24/97/41/836249741.db2.gz DGFGVWVMIVAESZ-MRXNPFEDSA-N 1 1 336.480 0.294 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001266758116 836255442 /nfs/dbraw/zinc/25/54/42/836255442.db2.gz NYUGNGXOMAQGQI-HOTGVXAUSA-N 1 1 336.480 0.294 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)Cn2nccc2C)C1 ZINC001266764554 836267036 /nfs/dbraw/zinc/26/70/36/836267036.db2.gz RZHJLYNTPQHUAM-CVEARBPZSA-N 1 1 347.463 0.710 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001266790849 836308563 /nfs/dbraw/zinc/30/85/63/836308563.db2.gz PKVPGABKESHVQZ-CQSZACIVSA-N 1 1 333.436 0.473 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@H]1CCCC[N@H+]1CCCN1C(=O)CNC1=O ZINC001266837899 836362737 /nfs/dbraw/zinc/36/27/37/836362737.db2.gz YLHHPQOYEQWYPR-QWHCGFSZSA-N 1 1 335.408 0.059 20 30 ECEDMO C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@H+](CCS(C)(=O)=O)C1 ZINC001266891645 836441543 /nfs/dbraw/zinc/44/15/43/836441543.db2.gz QDPQVJAGOKPVKQ-HIFRSBDPSA-N 1 1 326.462 0.661 20 30 ECEDMO C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@@H+](CCS(C)(=O)=O)C1 ZINC001266891645 836441547 /nfs/dbraw/zinc/44/15/47/836441547.db2.gz QDPQVJAGOKPVKQ-HIFRSBDPSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cnccc2C)C1 ZINC001266892987 836442340 /nfs/dbraw/zinc/44/23/40/836442340.db2.gz OYDUJMFLPZJFHC-HOTGVXAUSA-N 1 1 342.443 0.970 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(F)nc1)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266894388 836445411 /nfs/dbraw/zinc/44/54/11/836445411.db2.gz VCERJSDJGAGECT-TZMCWYRMSA-N 1 1 347.394 0.691 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(F)nc1)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266894388 836445416 /nfs/dbraw/zinc/44/54/16/836445416.db2.gz VCERJSDJGAGECT-TZMCWYRMSA-N 1 1 347.394 0.691 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]1CCC ZINC001266902145 836457068 /nfs/dbraw/zinc/45/70/68/836457068.db2.gz LXBVGYUASYJUHA-JLOCXQCDSA-N 1 1 331.460 0.999 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]1CCC ZINC001266902145 836457073 /nfs/dbraw/zinc/45/70/73/836457073.db2.gz LXBVGYUASYJUHA-JLOCXQCDSA-N 1 1 331.460 0.999 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001266903123 836458548 /nfs/dbraw/zinc/45/85/48/836458548.db2.gz RYSZPCPLICYMSN-OGTAQYDNSA-N 1 1 347.459 0.683 20 30 ECEDMO C[C@@H](CNC(=O)C#CC1CC1)[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001266937501 836496252 /nfs/dbraw/zinc/49/62/52/836496252.db2.gz KKRPSNQLDMQKFK-NSHDSACASA-N 1 1 326.360 0.534 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H](C)[NH2+]Cc1ncnn1-c1ccccc1 ZINC001266938255 836496269 /nfs/dbraw/zinc/49/62/69/836496269.db2.gz VSNKKKCGNPTDEV-LSDHHAIUSA-N 1 1 341.415 0.900 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1CCCNC1=O)[NH2+]Cc1cc(F)ccc1C#N ZINC001266948118 836511327 /nfs/dbraw/zinc/51/13/27/836511327.db2.gz CTJLGWOMIKKRSB-ABAIWWIYSA-N 1 1 332.379 0.818 20 30 ECEDMO CC#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2ncccc2O)C1 ZINC001267002124 836595556 /nfs/dbraw/zinc/59/55/56/836595556.db2.gz ZLVYYPAUPQMRKW-AWEZNQCLSA-N 1 1 344.415 0.369 20 30 ECEDMO C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267021221 836638648 /nfs/dbraw/zinc/63/86/48/836638648.db2.gz VYOJDHMINKOTAK-CVEARBPZSA-N 1 1 334.464 0.191 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001267041016 836665937 /nfs/dbraw/zinc/66/59/37/836665937.db2.gz JXRQCTCDJPNSJR-KGLIPLIRSA-N 1 1 343.431 0.017 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC001267041271 836666884 /nfs/dbraw/zinc/66/68/84/836666884.db2.gz MSWRRWKNQRJWKU-GFCCVEGCSA-N 1 1 342.403 0.312 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CS(=O)(=O)CCOC ZINC001279567279 836734208 /nfs/dbraw/zinc/73/42/08/836734208.db2.gz XMKQGIZTOJQAAJ-GJZGRUSLSA-N 1 1 344.477 0.689 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@H]([N@H+](C)CCN(C)S(C)(=O)=O)C1 ZINC001267101566 836773754 /nfs/dbraw/zinc/77/37/54/836773754.db2.gz UPUBEDCRLBMWAD-CQSZACIVSA-N 1 1 331.482 0.767 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@H]([N@H+](C)CCNS(C)(=O)=O)C1 ZINC001267102292 836774544 /nfs/dbraw/zinc/77/45/44/836774544.db2.gz DRAVEQNPRUWCTL-HNNXBMFYSA-N 1 1 343.493 0.652 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@H]([N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001267102292 836774553 /nfs/dbraw/zinc/77/45/53/836774553.db2.gz DRAVEQNPRUWCTL-HNNXBMFYSA-N 1 1 343.493 0.652 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001267110601 836796248 /nfs/dbraw/zinc/79/62/48/836796248.db2.gz GFFMXEJANAHEHS-ZFWWWQNUSA-N 1 1 334.420 0.831 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)NCC#N ZINC001279575439 836800163 /nfs/dbraw/zinc/80/01/63/836800163.db2.gz GCGOUXSJCMSCCY-HOTGVXAUSA-N 1 1 330.432 0.885 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)NCC#N ZINC001279575439 836800169 /nfs/dbraw/zinc/80/01/69/836800169.db2.gz GCGOUXSJCMSCCY-HOTGVXAUSA-N 1 1 330.432 0.885 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)c2coc(C3CC3)n2)C1 ZINC001267112706 836802532 /nfs/dbraw/zinc/80/25/32/836802532.db2.gz VWTDISQWVPHWPR-CYBMUJFWSA-N 1 1 345.403 0.728 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)c2coc(C3CC3)n2)C1 ZINC001267112706 836802545 /nfs/dbraw/zinc/80/25/45/836802545.db2.gz VWTDISQWVPHWPR-CYBMUJFWSA-N 1 1 345.403 0.728 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccnc(C)n2)C1 ZINC001267114916 836807117 /nfs/dbraw/zinc/80/71/17/836807117.db2.gz NFDZDRZDDCNBDS-DZGCQCFKSA-N 1 1 343.431 0.459 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1nnc2n1CCOC2 ZINC001267162689 836879759 /nfs/dbraw/zinc/87/97/59/836879759.db2.gz HONDBAZCACNFIB-KBPBESRZSA-N 1 1 346.435 0.829 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCC[C@H]1CCC[N@H+]1Cc1nnc2n1CCOC2 ZINC001267162689 836879765 /nfs/dbraw/zinc/87/97/65/836879765.db2.gz HONDBAZCACNFIB-KBPBESRZSA-N 1 1 346.435 0.829 20 30 ECEDMO CCc1cc(C(=O)NCCC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)no1 ZINC001267179012 836925011 /nfs/dbraw/zinc/92/50/11/836925011.db2.gz JCVVBGYDAMYTHN-CYBMUJFWSA-N 1 1 347.419 0.851 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001267209923 836996027 /nfs/dbraw/zinc/99/60/27/836996027.db2.gz RSVXBQHNLAHBEH-BLLLJJGKSA-N 1 1 325.409 0.068 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001267209923 836996038 /nfs/dbraw/zinc/99/60/38/836996038.db2.gz RSVXBQHNLAHBEH-BLLLJJGKSA-N 1 1 325.409 0.068 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001267221671 837015162 /nfs/dbraw/zinc/01/51/62/837015162.db2.gz SEYKZLUDKJFEMH-CYBMUJFWSA-N 1 1 341.415 0.671 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001267221671 837015171 /nfs/dbraw/zinc/01/51/71/837015171.db2.gz SEYKZLUDKJFEMH-CYBMUJFWSA-N 1 1 341.415 0.671 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC001267229085 837027374 /nfs/dbraw/zinc/02/73/74/837027374.db2.gz HRTNJOWTGNPWMU-HNNXBMFYSA-N 1 1 331.416 0.503 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccnc1OCC ZINC001267229544 837029366 /nfs/dbraw/zinc/02/93/66/837029366.db2.gz JVCYFIDZPYCNND-CYBMUJFWSA-N 1 1 332.404 0.280 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccnc1OCC ZINC001267229544 837029377 /nfs/dbraw/zinc/02/93/77/837029377.db2.gz JVCYFIDZPYCNND-CYBMUJFWSA-N 1 1 332.404 0.280 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CN(C)c2ccccc2)C1=O ZINC001267233487 837039130 /nfs/dbraw/zinc/03/91/30/837039130.db2.gz PJAHZIPWEUZPPK-QGZVFWFLSA-N 1 1 344.459 0.958 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)CN(C)c2ccccc2)C1=O ZINC001267233487 837039140 /nfs/dbraw/zinc/03/91/40/837039140.db2.gz PJAHZIPWEUZPPK-QGZVFWFLSA-N 1 1 344.459 0.958 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1[nH]ncc1C(F)(F)F ZINC001267242575 837052006 /nfs/dbraw/zinc/05/20/06/837052006.db2.gz QTTCWWYBOXLAOB-UHFFFAOYSA-N 1 1 345.325 0.230 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1[nH]ncc1C(F)(F)F ZINC001267242575 837052022 /nfs/dbraw/zinc/05/20/22/837052022.db2.gz QTTCWWYBOXLAOB-UHFFFAOYSA-N 1 1 345.325 0.230 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2ncc(OC)cn2)C1=O ZINC001267244872 837057049 /nfs/dbraw/zinc/05/70/49/837057049.db2.gz UFSKHJXRONRDJX-AWEZNQCLSA-N 1 1 347.419 0.324 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001267244572 837057270 /nfs/dbraw/zinc/05/72/70/837057270.db2.gz IOQKLYGMHCPERT-CQSZACIVSA-N 1 1 343.427 0.811 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001267244572 837057277 /nfs/dbraw/zinc/05/72/77/837057277.db2.gz IOQKLYGMHCPERT-CQSZACIVSA-N 1 1 343.427 0.811 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001267246437 837061392 /nfs/dbraw/zinc/06/13/92/837061392.db2.gz ZONQRJLQCKPMHA-CQSZACIVSA-N 1 1 333.436 0.186 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001267246437 837061404 /nfs/dbraw/zinc/06/14/04/837061404.db2.gz ZONQRJLQCKPMHA-CQSZACIVSA-N 1 1 333.436 0.186 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cccc2ccncc21)CC(=O)NCC#N ZINC001267254621 837077089 /nfs/dbraw/zinc/07/70/89/837077089.db2.gz XBJKXMZQHOKXJV-UHFFFAOYSA-N 1 1 339.399 0.926 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cccc2ccncc21)CC(=O)NCC#N ZINC001267254621 837077102 /nfs/dbraw/zinc/07/71/02/837077102.db2.gz XBJKXMZQHOKXJV-UHFFFAOYSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1O ZINC001267261867 837091853 /nfs/dbraw/zinc/09/18/53/837091853.db2.gz ROABPPHCMDNZTD-KGLIPLIRSA-N 1 1 329.400 0.724 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1O ZINC001267261867 837091859 /nfs/dbraw/zinc/09/18/59/837091859.db2.gz ROABPPHCMDNZTD-KGLIPLIRSA-N 1 1 329.400 0.724 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC001267267003 837104055 /nfs/dbraw/zinc/10/40/55/837104055.db2.gz KGWBSHDUQXGENL-TZMCWYRMSA-N 1 1 336.436 0.919 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC001267267003 837104057 /nfs/dbraw/zinc/10/40/57/837104057.db2.gz KGWBSHDUQXGENL-TZMCWYRMSA-N 1 1 336.436 0.919 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001267266328 837104238 /nfs/dbraw/zinc/10/42/38/837104238.db2.gz CYUHWMBRXLJBOC-JKSUJKDBSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001267266328 837104243 /nfs/dbraw/zinc/10/42/43/837104243.db2.gz CYUHWMBRXLJBOC-JKSUJKDBSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)COCC1CCCC1 ZINC001267269118 837107650 /nfs/dbraw/zinc/10/76/50/837107650.db2.gz KQGGQAOKBCGXBV-RDJZCZTQSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)COCC1CCCC1 ZINC001267269118 837107657 /nfs/dbraw/zinc/10/76/57/837107657.db2.gz KQGGQAOKBCGXBV-RDJZCZTQSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1CC(=O)NCC(C)C ZINC001267271010 837112537 /nfs/dbraw/zinc/11/25/37/837112537.db2.gz ZHZQGYCTMXZKGD-SJORKVTESA-N 1 1 348.491 0.437 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1CC(=O)NCC(C)C ZINC001267271010 837112540 /nfs/dbraw/zinc/11/25/40/837112540.db2.gz ZHZQGYCTMXZKGD-SJORKVTESA-N 1 1 348.491 0.437 20 30 ECEDMO C=C(Cl)C[N@H+](CCCNC(=O)CN1CCOCC1=O)C(C)C ZINC001267273020 837115214 /nfs/dbraw/zinc/11/52/14/837115214.db2.gz DPULMBGMENGRJO-UHFFFAOYSA-N 1 1 331.844 0.814 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1nccn1C ZINC001267275472 837118665 /nfs/dbraw/zinc/11/86/65/837118665.db2.gz GLEWRBNHVQKJEN-GJZGRUSLSA-N 1 1 347.463 0.624 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cccc(OC)n1 ZINC001267279447 837124815 /nfs/dbraw/zinc/12/48/15/837124815.db2.gz FPHIXVKQSJJHIY-KBPBESRZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(OC)n1 ZINC001267279447 837124820 /nfs/dbraw/zinc/12/48/20/837124820.db2.gz FPHIXVKQSJJHIY-KBPBESRZSA-N 1 1 344.415 0.422 20 30 ECEDMO NC(=O)NCCC(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001267282047 837130890 /nfs/dbraw/zinc/13/08/90/837130890.db2.gz OCBKEYSQLXTINV-INIZCTEOSA-N 1 1 328.416 0.677 20 30 ECEDMO NC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001267282047 837130894 /nfs/dbraw/zinc/13/08/94/837130894.db2.gz OCBKEYSQLXTINV-INIZCTEOSA-N 1 1 328.416 0.677 20 30 ECEDMO C=CCOc1ccc(CC(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)cc1 ZINC001267284022 837132626 /nfs/dbraw/zinc/13/26/26/837132626.db2.gz WALNWYUEHOAFBQ-OAHLLOKOSA-N 1 1 331.416 0.860 20 30 ECEDMO C=CCOc1ccc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)cc1 ZINC001267284022 837132631 /nfs/dbraw/zinc/13/26/31/837132631.db2.gz WALNWYUEHOAFBQ-OAHLLOKOSA-N 1 1 331.416 0.860 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccccn2)C1 ZINC001267285916 837136801 /nfs/dbraw/zinc/13/68/01/837136801.db2.gz QPKRYCWNSIVXLQ-CYBMUJFWSA-N 1 1 345.403 0.145 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccccn2)C1 ZINC001267285916 837136808 /nfs/dbraw/zinc/13/68/08/837136808.db2.gz QPKRYCWNSIVXLQ-CYBMUJFWSA-N 1 1 345.403 0.145 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC001267289202 837139677 /nfs/dbraw/zinc/13/96/77/837139677.db2.gz YNHJVEOVJWYHMU-ZIAGYGMSSA-N 1 1 347.419 0.444 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC001267289202 837139688 /nfs/dbraw/zinc/13/96/88/837139688.db2.gz YNHJVEOVJWYHMU-ZIAGYGMSSA-N 1 1 347.419 0.444 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001267292601 837145215 /nfs/dbraw/zinc/14/52/15/837145215.db2.gz CWAMTWSECMQQIL-KGLIPLIRSA-N 1 1 348.399 0.625 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001267292601 837145218 /nfs/dbraw/zinc/14/52/18/837145218.db2.gz CWAMTWSECMQQIL-KGLIPLIRSA-N 1 1 348.399 0.625 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)C#CC(C)C)C1 ZINC001267293380 837146602 /nfs/dbraw/zinc/14/66/02/837146602.db2.gz RNJCYPRLQURSCT-CQSZACIVSA-N 1 1 334.420 0.096 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)C#CC(C)C)C1 ZINC001267293380 837146610 /nfs/dbraw/zinc/14/66/10/837146610.db2.gz RNJCYPRLQURSCT-CQSZACIVSA-N 1 1 334.420 0.096 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(COC)c2)C1 ZINC001267297059 837156302 /nfs/dbraw/zinc/15/63/02/837156302.db2.gz AAKNZJQGPCPNBX-MRXNPFEDSA-N 1 1 343.427 0.634 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001267299017 837161544 /nfs/dbraw/zinc/16/15/44/837161544.db2.gz VOQZPKGJAGWQBF-LBPRGKRZSA-N 1 1 335.429 0.558 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001267306423 837178270 /nfs/dbraw/zinc/17/82/70/837178270.db2.gz GTWTXBIMWUFHFF-CYBMUJFWSA-N 1 1 333.436 0.428 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](CCC)CC(=O)NCC#N)c1 ZINC001267317145 837193799 /nfs/dbraw/zinc/19/37/99/837193799.db2.gz PHOMGBRCBVUDOR-UHFFFAOYSA-N 1 1 327.388 0.144 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CCC)CC(=O)NCC#N)c1 ZINC001267317145 837193802 /nfs/dbraw/zinc/19/38/02/837193802.db2.gz PHOMGBRCBVUDOR-UHFFFAOYSA-N 1 1 327.388 0.144 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[N@H+](CC(=O)NC[C@H]1CCOC1)C1CC1 ZINC001267325531 837203859 /nfs/dbraw/zinc/20/38/59/837203859.db2.gz JTGJGXYKNXHQEJ-OAHLLOKOSA-N 1 1 349.475 0.769 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[N@@H+](CC(=O)NC[C@H]1CCOC1)C1CC1 ZINC001267325531 837203864 /nfs/dbraw/zinc/20/38/64/837203864.db2.gz JTGJGXYKNXHQEJ-OAHLLOKOSA-N 1 1 349.475 0.769 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@H+](Cc1ccn(C)c(=O)c1)C1CC1 ZINC001267326958 837204926 /nfs/dbraw/zinc/20/49/26/837204926.db2.gz VCHWJKHELOFMPX-SFHVURJKSA-N 1 1 333.432 0.793 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1cn2c(n1)CCCC2)C1CC1 ZINC001267326759 837205029 /nfs/dbraw/zinc/20/50/29/837205029.db2.gz WKLPXWHPZOABTA-UHFFFAOYSA-N 1 1 344.419 0.053 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1cn2c(n1)CCCC2)C1CC1 ZINC001267326759 837205036 /nfs/dbraw/zinc/20/50/36/837205036.db2.gz WKLPXWHPZOABTA-UHFFFAOYSA-N 1 1 344.419 0.053 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1cc2ccccn2c1)C1CC1 ZINC001267333647 837215054 /nfs/dbraw/zinc/21/50/54/837215054.db2.gz IBJHEZMUFMARLG-UHFFFAOYSA-N 1 1 339.399 0.773 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1cc2ccccn2c1)C1CC1 ZINC001267333647 837215064 /nfs/dbraw/zinc/21/50/64/837215064.db2.gz IBJHEZMUFMARLG-UHFFFAOYSA-N 1 1 339.399 0.773 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](CC(=O)NC(C)C)C2CC2)c1 ZINC001267333269 837215294 /nfs/dbraw/zinc/21/52/94/837215294.db2.gz ZPONMBHRQFRTOZ-UHFFFAOYSA-N 1 1 328.416 0.782 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CC(=O)NC(C)C)C2CC2)c1 ZINC001267333269 837215302 /nfs/dbraw/zinc/21/53/02/837215302.db2.gz ZPONMBHRQFRTOZ-UHFFFAOYSA-N 1 1 328.416 0.782 20 30 ECEDMO Cc1cc(=O)n2nc(C[NH2+]CCN(C)C(=O)C#CC(C)C)sc2n1 ZINC001267370036 837271195 /nfs/dbraw/zinc/27/11/95/837271195.db2.gz GOMFQTFZQJPOSR-UHFFFAOYSA-N 1 1 347.444 0.667 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC001267580004 837840074 /nfs/dbraw/zinc/84/00/74/837840074.db2.gz PCKKJKBQPVNYTH-ZIAGYGMSSA-N 1 1 346.406 0.753 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(C)(C)C)C1 ZINC001267582233 837848943 /nfs/dbraw/zinc/84/89/43/837848943.db2.gz IOQTUKCVRFXIHG-HNNXBMFYSA-N 1 1 337.464 0.721 20 30 ECEDMO CCn1ccc(CC(=O)N2CC[C@H](C[N@@H+](C)CC#CCOC)C2)n1 ZINC001267583542 837852261 /nfs/dbraw/zinc/85/22/61/837852261.db2.gz SDKJHRACBKYESU-MRXNPFEDSA-N 1 1 332.448 0.876 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 ZINC001267588649 837872289 /nfs/dbraw/zinc/87/22/89/837872289.db2.gz YBBWRPUWZNYCMK-CYBMUJFWSA-N 1 1 344.415 0.695 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001267589155 837873301 /nfs/dbraw/zinc/87/33/01/837873301.db2.gz HGUCYWYFWSOOBQ-XHSDSOJGSA-N 1 1 337.464 0.871 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)C2)cc1 ZINC001267589443 837876425 /nfs/dbraw/zinc/87/64/25/837876425.db2.gz KCUALAIHVDBJBA-GJZGRUSLSA-N 1 1 343.427 0.966 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCN2CCCC2=O)C1 ZINC001267590364 837876955 /nfs/dbraw/zinc/87/69/55/837876955.db2.gz RTOMGJDTDYZZAX-ZACQAIPSSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2oc(CC)nc2C)C1 ZINC001267591318 837881194 /nfs/dbraw/zinc/88/11/94/837881194.db2.gz BPDLXUYNWHKYED-AWEZNQCLSA-N 1 1 346.431 0.689 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001267592109 837884807 /nfs/dbraw/zinc/88/48/07/837884807.db2.gz NVHGYRJWHAMECI-HNNXBMFYSA-N 1 1 345.447 0.185 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC001267593210 837890355 /nfs/dbraw/zinc/89/03/55/837890355.db2.gz FMOUXZXXSMTWAY-GFCCVEGCSA-N 1 1 349.822 0.769 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)nc1 ZINC001267594515 837896350 /nfs/dbraw/zinc/89/63/50/837896350.db2.gz INNWFMXCSGQEFC-HIFRSBDPSA-N 1 1 328.416 0.639 20 30 ECEDMO C=CCCOCC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCCN(C)C2=O)C1 ZINC001267597097 837902269 /nfs/dbraw/zinc/90/22/69/837902269.db2.gz XXUDJVTYQVAVIB-JKSUJKDBSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)COC2CCCC2)CC1 ZINC001267598066 837903987 /nfs/dbraw/zinc/90/39/87/837903987.db2.gz RMRQBFILYAFWFP-UHFFFAOYSA-N 1 1 349.475 0.865 20 30 ECEDMO CC[C@H](C)OCC(=O)N(C)CC[NH+]1CCN(CC#CCOC)CC1 ZINC001267606422 837946137 /nfs/dbraw/zinc/94/61/37/837946137.db2.gz YJIZWAVAPZJQQQ-KRWDZBQOSA-N 1 1 339.480 0.527 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267614739 837991360 /nfs/dbraw/zinc/99/13/60/837991360.db2.gz QQRJVXOFNGQHQQ-HUUCEWRRSA-N 1 1 342.461 0.042 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267614739 837991367 /nfs/dbraw/zinc/99/13/67/837991367.db2.gz QQRJVXOFNGQHQQ-HUUCEWRRSA-N 1 1 342.461 0.042 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2ccnc(NC(C)=O)c2)CC1 ZINC001267618455 838048425 /nfs/dbraw/zinc/04/84/25/838048425.db2.gz OOAWXFFNSNHYAF-UHFFFAOYSA-N 1 1 343.431 0.363 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCCOC)C1 ZINC001267621974 838060775 /nfs/dbraw/zinc/06/07/75/838060775.db2.gz FZBYBEXACIANHF-CQSZACIVSA-N 1 1 340.468 0.867 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)c2ccco2)C1 ZINC001267622160 838063739 /nfs/dbraw/zinc/06/37/39/838063739.db2.gz OIFLSSCUYZXQEB-OAHLLOKOSA-N 1 1 347.415 0.630 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)c2ccco2)C1 ZINC001267622160 838063749 /nfs/dbraw/zinc/06/37/49/838063749.db2.gz OIFLSSCUYZXQEB-OAHLLOKOSA-N 1 1 347.415 0.630 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@@H](CCCC)C(N)=O)C1 ZINC001267627573 838078007 /nfs/dbraw/zinc/07/80/07/838078007.db2.gz AHYWBRKLMCPYFK-ULQDDVLXSA-N 1 1 348.491 0.709 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@@H](CCCC)C(N)=O)C1 ZINC001267627573 838078019 /nfs/dbraw/zinc/07/80/19/838078019.db2.gz AHYWBRKLMCPYFK-ULQDDVLXSA-N 1 1 348.491 0.709 20 30 ECEDMO C#CCOCCC(=O)NC1C[NH+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC001267644773 838128629 /nfs/dbraw/zinc/12/86/29/838128629.db2.gz DVIGXNNZLDRZNL-QAPCUYQASA-N 1 1 330.428 0.991 20 30 ECEDMO CC(=O)NCCOCC[N@H+](C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267645783 838130322 /nfs/dbraw/zinc/13/03/22/838130322.db2.gz FWGRZBWAPJRZNU-KRWDZBQOSA-N 1 1 335.448 0.333 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)nn2)C1 ZINC001267646681 838130921 /nfs/dbraw/zinc/13/09/21/838130921.db2.gz RGPMFQWBMGBSDO-CABCVRRESA-N 1 1 345.447 0.870 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(=O)NCC=C)C1 ZINC001267646032 838131502 /nfs/dbraw/zinc/13/15/02/838131502.db2.gz KBSXTGOVXYNPGV-OAHLLOKOSA-N 1 1 348.447 0.582 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001267646902 838135570 /nfs/dbraw/zinc/13/55/70/838135570.db2.gz SNFXGYNQZYDIID-CQSZACIVSA-N 1 1 333.436 0.045 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001267652868 838155602 /nfs/dbraw/zinc/15/56/02/838155602.db2.gz GJWBUTFDOLOLSM-CYBMUJFWSA-N 1 1 336.436 0.730 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)COCc2nccn2C)C1 ZINC001267657963 838169781 /nfs/dbraw/zinc/16/97/81/838169781.db2.gz IUSKHSAHAYBRQQ-MRXNPFEDSA-N 1 1 348.447 0.367 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001267657885 838170188 /nfs/dbraw/zinc/17/01/88/838170188.db2.gz HJEIIQYRWPTLGP-RHSMWYFYSA-N 1 1 325.412 0.927 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)CC(C)(C)COC)C1 ZINC001267666527 838189820 /nfs/dbraw/zinc/18/98/20/838189820.db2.gz UEWXTYDYLLULIC-HNNXBMFYSA-N 1 1 337.464 0.579 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH+]1CC(CNC(=O)C2=COCCO2)C1 ZINC001267674793 838221049 /nfs/dbraw/zinc/22/10/49/838221049.db2.gz HHRIXQXLSJJRGG-UHFFFAOYSA-N 1 1 335.404 0.123 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)CCc3ccnn3C)C2)C1=O ZINC001267683185 838243554 /nfs/dbraw/zinc/24/35/54/838243554.db2.gz IXNGAHJYCXKTND-INIZCTEOSA-N 1 1 345.447 0.188 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CCc2cc(C)on2)C1 ZINC001267683055 838244007 /nfs/dbraw/zinc/24/40/07/838244007.db2.gz IWIBRDCUZPXTBS-OAHLLOKOSA-N 1 1 348.447 0.998 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001267689520 838259329 /nfs/dbraw/zinc/25/93/29/838259329.db2.gz LUVWUWWVZCXKRT-GFCCVEGCSA-N 1 1 341.415 0.915 20 30 ECEDMO COc1cccnc1C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267703768 838306745 /nfs/dbraw/zinc/30/67/45/838306745.db2.gz WIOMKMLEDHBXTN-ZDUSSCGKSA-N 1 1 345.403 0.124 20 30 ECEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001267721471 838375841 /nfs/dbraw/zinc/37/58/41/838375841.db2.gz AVIMFVAAAQSLSH-AWEZNQCLSA-N 1 1 348.447 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CCc3cccnc3)C2)C1=O ZINC001267726585 838404947 /nfs/dbraw/zinc/40/49/47/838404947.db2.gz ONRPKECXIASEGS-IRXDYDNUSA-N 1 1 342.443 0.992 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CCc3cccnc3)C2)C1=O ZINC001267726585 838404952 /nfs/dbraw/zinc/40/49/52/838404952.db2.gz ONRPKECXIASEGS-IRXDYDNUSA-N 1 1 342.443 0.992 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001267744541 838447235 /nfs/dbraw/zinc/44/72/35/838447235.db2.gz UMAOJFCYBOQKSO-BXUZGUMPSA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001267744541 838447240 /nfs/dbraw/zinc/44/72/40/838447240.db2.gz UMAOJFCYBOQKSO-BXUZGUMPSA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)c2ccnnc2)CC1 ZINC001267746269 838452526 /nfs/dbraw/zinc/45/25/26/838452526.db2.gz SWPXIGCQJJUKEH-CQSZACIVSA-N 1 1 345.447 0.951 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001267746649 838453019 /nfs/dbraw/zinc/45/30/19/838453019.db2.gz OIRHXLPYDRJFIX-GDBMZVCRSA-N 1 1 347.463 0.888 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001267746649 838453024 /nfs/dbraw/zinc/45/30/24/838453024.db2.gz OIRHXLPYDRJFIX-GDBMZVCRSA-N 1 1 347.463 0.888 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC(C)(F)F)C1 ZINC001267748619 838461380 /nfs/dbraw/zinc/46/13/80/838461380.db2.gz BHEQIUHVDJMLJF-WDEREUQCSA-N 1 1 346.378 0.623 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC(C)(F)F)C1 ZINC001267748619 838461384 /nfs/dbraw/zinc/46/13/84/838461384.db2.gz BHEQIUHVDJMLJF-WDEREUQCSA-N 1 1 346.378 0.623 20 30 ECEDMO C#CC[N@H+](C)CC1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001267758342 838484149 /nfs/dbraw/zinc/48/41/49/838484149.db2.gz LEGFMBHMVPKZSL-UHFFFAOYSA-N 1 1 334.376 0.314 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnnn2CC)C1 ZINC001267761467 838490024 /nfs/dbraw/zinc/49/00/24/838490024.db2.gz ICOTZMUYXBTZAZ-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnnn2CC)C1 ZINC001267761467 838490030 /nfs/dbraw/zinc/49/00/30/838490030.db2.gz ICOTZMUYXBTZAZ-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)cn2)C1 ZINC001267763432 838492510 /nfs/dbraw/zinc/49/25/10/838492510.db2.gz LNBCUOUUEGIPLM-TZMCWYRMSA-N 1 1 332.379 0.505 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)cn2)C1 ZINC001267763432 838492512 /nfs/dbraw/zinc/49/25/12/838492512.db2.gz LNBCUOUUEGIPLM-TZMCWYRMSA-N 1 1 332.379 0.505 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CC[N@@H+](CCn2nc(C)nc2C)C1 ZINC001267765452 838497516 /nfs/dbraw/zinc/49/75/16/838497516.db2.gz ZIPWQVNFQUQXRT-NVXWUHKLSA-N 1 1 335.452 0.755 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)c2CC)C1 ZINC001267771667 838522083 /nfs/dbraw/zinc/52/20/83/838522083.db2.gz LENVNSWEUJJDLL-HUUCEWRRSA-N 1 1 344.459 0.872 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)c2CC)C1 ZINC001267771667 838522087 /nfs/dbraw/zinc/52/20/87/838522087.db2.gz LENVNSWEUJJDLL-HUUCEWRRSA-N 1 1 344.459 0.872 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001267776969 838541425 /nfs/dbraw/zinc/54/14/25/838541425.db2.gz HQVNZUZILKGQLS-OAHLLOKOSA-N 1 1 347.463 0.991 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001267776969 838541428 /nfs/dbraw/zinc/54/14/28/838541428.db2.gz HQVNZUZILKGQLS-OAHLLOKOSA-N 1 1 347.463 0.991 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001267776858 838541729 /nfs/dbraw/zinc/54/17/29/838541729.db2.gz GLNVHJVPAFXRIV-GOEBONIOSA-N 1 1 330.432 0.697 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001267776858 838541735 /nfs/dbraw/zinc/54/17/35/838541735.db2.gz GLNVHJVPAFXRIV-GOEBONIOSA-N 1 1 330.432 0.697 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001267776856 838541805 /nfs/dbraw/zinc/54/18/05/838541805.db2.gz GLNVHJVPAFXRIV-GDBMZVCRSA-N 1 1 330.432 0.697 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001267776856 838541812 /nfs/dbraw/zinc/54/18/12/838541812.db2.gz GLNVHJVPAFXRIV-GDBMZVCRSA-N 1 1 330.432 0.697 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001267777144 838542527 /nfs/dbraw/zinc/54/25/27/838542527.db2.gz JOWGLDASSPCJND-CVEARBPZSA-N 1 1 345.447 0.331 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001267777144 838542532 /nfs/dbraw/zinc/54/25/32/838542532.db2.gz JOWGLDASSPCJND-CVEARBPZSA-N 1 1 345.447 0.331 20 30 ECEDMO C=CCCC(=O)N(CC)[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001267782526 838556271 /nfs/dbraw/zinc/55/62/71/838556271.db2.gz WGGYDOAUEQBMRB-HNNXBMFYSA-N 1 1 343.493 0.911 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001267782902 838559064 /nfs/dbraw/zinc/55/90/64/838559064.db2.gz CBDQTOOMLNZQAB-KBPBESRZSA-N 1 1 336.436 0.413 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001267782902 838559068 /nfs/dbraw/zinc/55/90/68/838559068.db2.gz CBDQTOOMLNZQAB-KBPBESRZSA-N 1 1 336.436 0.413 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC)n2)C1 ZINC001267784583 838559670 /nfs/dbraw/zinc/55/96/70/838559670.db2.gz QOBYKKGPIOSSGZ-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC)n2)C1 ZINC001267784583 838559671 /nfs/dbraw/zinc/55/96/71/838559671.db2.gz QOBYKKGPIOSSGZ-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)N(CC)C2CC2)C1 ZINC001267787209 838563929 /nfs/dbraw/zinc/56/39/29/838563929.db2.gz XREPRFULQASPEC-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)N(CC)C2CC2)C1 ZINC001267787209 838563932 /nfs/dbraw/zinc/56/39/32/838563932.db2.gz XREPRFULQASPEC-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001267787938 838564859 /nfs/dbraw/zinc/56/48/59/838564859.db2.gz NEOLFFRFSBGEMY-HNNXBMFYSA-N 1 1 330.432 0.917 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001267787938 838564860 /nfs/dbraw/zinc/56/48/60/838564860.db2.gz NEOLFFRFSBGEMY-HNNXBMFYSA-N 1 1 330.432 0.917 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC2(CC[N@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001267973684 838905539 /nfs/dbraw/zinc/90/55/39/838905539.db2.gz XMFQOYIYFFWKLA-CVEARBPZSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)C(=O)C(C)(C)C)CC2 ZINC001267972829 838906016 /nfs/dbraw/zinc/90/60/16/838906016.db2.gz TUGNVSBOWIHDQT-UHFFFAOYSA-N 1 1 347.459 0.666 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)C(=O)C(C)(C)C)CC2 ZINC001267972829 838906023 /nfs/dbraw/zinc/90/60/23/838906023.db2.gz TUGNVSBOWIHDQT-UHFFFAOYSA-N 1 1 347.459 0.666 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)Cn2nnnc2C(C)C)C1 ZINC001268025714 839023876 /nfs/dbraw/zinc/02/38/76/839023876.db2.gz KKWJJWWUNYFTTR-AWEZNQCLSA-N 1 1 336.440 0.580 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001268028303 839040268 /nfs/dbraw/zinc/04/02/68/839040268.db2.gz CDOKPAWKWRYKDK-HZPDHXFCSA-N 1 1 347.463 0.932 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)COCCC=C)CC2 ZINC001268047591 839218658 /nfs/dbraw/zinc/21/86/58/839218658.db2.gz HGPNTDZJECHCSN-INIZCTEOSA-N 1 1 347.459 0.641 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[C@](C)(O)C3CC3)CC2)C1=O ZINC000980996838 839299075 /nfs/dbraw/zinc/29/90/75/839299075.db2.gz NIGMVOXVZDSGEC-APWZRJJASA-N 1 1 349.475 0.859 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[C@](C)(O)C3CC3)CC2)C1=O ZINC000980996838 839299086 /nfs/dbraw/zinc/29/90/86/839299086.db2.gz NIGMVOXVZDSGEC-APWZRJJASA-N 1 1 349.475 0.859 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[N@H+](C[C@H](O)Cn3cccn3)CC2)c[nH]1 ZINC000981006223 839315737 /nfs/dbraw/zinc/31/57/37/839315737.db2.gz OXFWDGQKMYCLCU-INIZCTEOSA-N 1 1 342.403 0.292 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000245550266 283051480 /nfs/dbraw/zinc/05/14/80/283051480.db2.gz HIOPAMTWPJVBNK-HOTGVXAUSA-N 1 1 337.445 0.845 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245550266 283051486 /nfs/dbraw/zinc/05/14/86/283051486.db2.gz HIOPAMTWPJVBNK-HOTGVXAUSA-N 1 1 337.445 0.845 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000264744216 201211580 /nfs/dbraw/zinc/21/15/80/201211580.db2.gz SWGDOCQSWFEOMD-ZDUSSCGKSA-N 1 1 329.466 0.589 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1 ZINC000271837486 201245390 /nfs/dbraw/zinc/24/53/90/201245390.db2.gz HSWSJKCORYAXQP-UHFFFAOYSA-N 1 1 347.440 0.590 20 30 ECEDMO C=CCNc1ncc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000269533242 201232455 /nfs/dbraw/zinc/23/24/55/201232455.db2.gz NRWAMWVLHLUKDV-LLVKDONJSA-N 1 1 337.449 0.811 20 30 ECEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000107301885 204231707 /nfs/dbraw/zinc/23/17/07/204231707.db2.gz QWSUFICRKDSPIC-AWEZNQCLSA-N 1 1 338.433 0.442 20 30 ECEDMO C[N@@H+](CCCO)C1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115546877 205040032 /nfs/dbraw/zinc/04/00/32/205040032.db2.gz YCFQKIQGIOTQGR-KRWDZBQOSA-N 1 1 330.432 0.863 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cnc(C#N)c2C#N)C1 ZINC000126305017 205049940 /nfs/dbraw/zinc/04/99/40/205049940.db2.gz PPYFESQMROUBBN-CYBMUJFWSA-N 1 1 330.392 0.099 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC000330408320 284388247 /nfs/dbraw/zinc/38/82/47/284388247.db2.gz JJAKWNGRYSZARO-ZIAGYGMSSA-N 1 1 327.425 0.895 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@H]3CO)CC2)o1 ZINC000248997527 206320055 /nfs/dbraw/zinc/32/00/55/206320055.db2.gz YEOLSCHDFYHCLM-IUODEOHRSA-N 1 1 347.419 0.206 20 30 ECEDMO COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000447012942 211166281 /nfs/dbraw/zinc/16/62/81/211166281.db2.gz JBMUXWMICZBAII-GDBMZVCRSA-N 1 1 334.420 0.488 20 30 ECEDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000444175015 211056666 /nfs/dbraw/zinc/05/66/66/211056666.db2.gz YJUIGWZHRGMOSQ-CQSZACIVSA-N 1 1 341.408 0.837 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000444175015 211056668 /nfs/dbraw/zinc/05/66/68/211056668.db2.gz YJUIGWZHRGMOSQ-CQSZACIVSA-N 1 1 341.408 0.837 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000268796984 252249618 /nfs/dbraw/zinc/24/96/18/252249618.db2.gz CAGQQSWVGXDBMB-CQSZACIVSA-N 1 1 344.375 0.604 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@](COC)(C(=O)OC)C1 ZINC000451340394 285039488 /nfs/dbraw/zinc/03/94/88/285039488.db2.gz WJSAKJROLVCOOE-CJNGLKHVSA-N 1 1 325.409 0.506 20 30 ECEDMO COC[C@H](C)NC(=[NH2+])NCCN1CCN(Cc2ccccc2)CC1 ZINC000104155574 254490329 /nfs/dbraw/zinc/49/03/29/254490329.db2.gz DPZZKDDRLPXJIR-INIZCTEOSA-N 1 1 333.480 0.743 20 30 ECEDMO C[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C[NH+]1CCOCC1 ZINC000363337979 254743257 /nfs/dbraw/zinc/74/32/57/254743257.db2.gz YCVHBWSSZFVQEN-GOEBONIOSA-N 1 1 335.452 0.336 20 30 ECEDMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000425909690 254785314 /nfs/dbraw/zinc/78/53/14/254785314.db2.gz QMXATURDGPFCEE-UHFFFAOYSA-N 1 1 338.452 0.612 20 30 ECEDMO C#C[C@H](CCC)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000491617586 254922562 /nfs/dbraw/zinc/92/25/62/254922562.db2.gz BHKGFLKJTKLXCG-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](C)C[N@H+]1CCO ZINC000419334982 209063528 /nfs/dbraw/zinc/06/35/28/209063528.db2.gz VVXRLEUKEJUDRW-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](C)CN1CCO ZINC000419334982 209063532 /nfs/dbraw/zinc/06/35/32/209063532.db2.gz VVXRLEUKEJUDRW-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](C)CN1CCO ZINC000419334982 209063533 /nfs/dbraw/zinc/06/35/33/209063533.db2.gz VVXRLEUKEJUDRW-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001077941545 781981474 /nfs/dbraw/zinc/98/14/74/781981474.db2.gz WDHBDXFJKXRLOL-HUUCEWRRSA-N 1 1 327.388 0.823 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)N(S(C)(=O)=O)C1 ZINC000329829220 286102815 /nfs/dbraw/zinc/10/28/15/286102815.db2.gz DNZVZHALJMMTMG-YXCITZCRSA-N 1 1 345.465 0.475 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccn([C@@H](C)COC)n1 ZINC000491806008 421165674 /nfs/dbraw/zinc/16/56/74/421165674.db2.gz PPOQDGJXYPLYLG-ZDUSSCGKSA-N 1 1 335.408 0.100 20 30 ECEDMO Cn1c(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C#N)c(=O)n(C)c1=O ZINC000270273809 263231537 /nfs/dbraw/zinc/23/15/37/263231537.db2.gz KUUPYFMOVOVWMP-LSDHHAIUSA-N 1 1 339.399 0.813 20 30 ECEDMO C[NH+]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000276914983 263764476 /nfs/dbraw/zinc/76/44/76/263764476.db2.gz QWYNIRQSOZGIAD-INIZCTEOSA-N 1 1 341.415 0.616 20 30 ECEDMO N#Cc1ncn(CC[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)n1 ZINC000284966999 264263667 /nfs/dbraw/zinc/26/36/67/264263667.db2.gz CVSUUHAPZRNWJO-HNNXBMFYSA-N 1 1 328.351 0.898 20 30 ECEDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cc2noc(C)c2C#N)CC1 ZINC000354536948 270006820 /nfs/dbraw/zinc/00/68/20/270006820.db2.gz PNDCHLWWYFRLFG-LLVKDONJSA-N 1 1 334.376 0.493 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000364962713 270007331 /nfs/dbraw/zinc/00/73/31/270007331.db2.gz XBKZWLFOFVXTFW-AWEZNQCLSA-N 1 1 344.415 0.720 20 30 ECEDMO N#Cc1cccnc1N1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000367644265 270007410 /nfs/dbraw/zinc/00/74/10/270007410.db2.gz JTWVJWLJNFMHIC-CALCHBBNSA-N 1 1 327.432 0.938 20 30 ECEDMO N#Cc1cccnc1N1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000367644265 270007411 /nfs/dbraw/zinc/00/74/11/270007411.db2.gz JTWVJWLJNFMHIC-CALCHBBNSA-N 1 1 327.432 0.938 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000376516795 270007707 /nfs/dbraw/zinc/00/77/07/270007707.db2.gz FNKGGLGEVCGYCI-HIFRSBDPSA-N 1 1 343.435 0.808 20 30 ECEDMO CCC[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[N@H+]1CCOC ZINC000288067537 266068593 /nfs/dbraw/zinc/06/85/93/266068593.db2.gz GELYEMOQXNTLCA-CQSZACIVSA-N 1 1 349.439 0.292 20 30 ECEDMO CCN1C(=O)[C@H]2C[N@H+](Cc3cnc4ccc(C#N)cn34)CCN2C1=O ZINC000378368575 266142693 /nfs/dbraw/zinc/14/26/93/266142693.db2.gz HBAVGYUONQSOLJ-CQSZACIVSA-N 1 1 338.371 0.674 20 30 ECEDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cnc4ccc(C#N)cn34)CCN2C1=O ZINC000378368575 266142696 /nfs/dbraw/zinc/14/26/96/266142696.db2.gz HBAVGYUONQSOLJ-CQSZACIVSA-N 1 1 338.371 0.674 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000298198571 266147942 /nfs/dbraw/zinc/14/79/42/266147942.db2.gz DTRJGENZBSJMOH-UHFFFAOYSA-N 1 1 336.417 0.001 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000341375847 266153689 /nfs/dbraw/zinc/15/36/89/266153689.db2.gz ZXRIZGVZBLSGMG-CABCVRRESA-N 1 1 330.388 0.654 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000341375847 266153692 /nfs/dbraw/zinc/15/36/92/266153692.db2.gz ZXRIZGVZBLSGMG-CABCVRRESA-N 1 1 330.388 0.654 20 30 ECEDMO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)nc3)[C@H]2C1 ZINC000292705569 266157423 /nfs/dbraw/zinc/15/74/23/266157423.db2.gz DPDSRVHYNJUZAI-LSDHHAIUSA-N 1 1 336.417 0.437 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)nc3)[C@H]2C1 ZINC000292705569 266157425 /nfs/dbraw/zinc/15/74/25/266157425.db2.gz DPDSRVHYNJUZAI-LSDHHAIUSA-N 1 1 336.417 0.437 20 30 ECEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2cnc(C#N)n2)[C@@H](C)C1 ZINC000337014136 266273879 /nfs/dbraw/zinc/27/38/79/266273879.db2.gz JPECORNKLSIHIA-ZNMIVQPWSA-N 1 1 348.451 0.964 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC000377975221 266590080 /nfs/dbraw/zinc/59/00/80/266590080.db2.gz FCEPIZGZSVQEDN-CQSZACIVSA-N 1 1 329.404 0.513 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C[C@H]21 ZINC000368591787 266598538 /nfs/dbraw/zinc/59/85/38/266598538.db2.gz MWJLIFTVEJMZAP-GDBMZVCRSA-N 1 1 326.400 0.841 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@H](C)[N@H+]1C ZINC000293483541 267035545 /nfs/dbraw/zinc/03/55/45/267035545.db2.gz LFXZRLYKDTVNSZ-BETUJISGSA-N 1 1 326.400 0.998 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@H](C)[N@@H+]1C ZINC000293483541 267035548 /nfs/dbraw/zinc/03/55/48/267035548.db2.gz LFXZRLYKDTVNSZ-BETUJISGSA-N 1 1 326.400 0.998 20 30 ECEDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000375743928 267091046 /nfs/dbraw/zinc/09/10/46/267091046.db2.gz QEYVZHPPZSUMMG-QAPCUYQASA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000360317558 267133317 /nfs/dbraw/zinc/13/33/17/267133317.db2.gz QNMGCNDTKLFKQJ-KSSFIOAISA-N 1 1 331.416 0.861 20 30 ECEDMO C[C@H](CNC(=O)N1CCC(n2cnc(C#N)n2)CC1)[N@@H+](C)C1CC1 ZINC000376091261 267159418 /nfs/dbraw/zinc/15/94/18/267159418.db2.gz BJKVDSDPEDOREB-GFCCVEGCSA-N 1 1 331.424 0.979 20 30 ECEDMO C[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@H]1CCN2CCO[C@H]1C2 ZINC000528514100 267308838 /nfs/dbraw/zinc/30/88/38/267308838.db2.gz DXUOPWMGJSPVKB-BQFCYCMXSA-N 1 1 331.416 0.703 20 30 ECEDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)ccc1C#N ZINC000296326332 267359175 /nfs/dbraw/zinc/35/91/75/267359175.db2.gz UMRNHAMUOHWYBY-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)ccc1C#N ZINC000296326332 267359180 /nfs/dbraw/zinc/35/91/80/267359180.db2.gz UMRNHAMUOHWYBY-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1F ZINC000362932816 268005227 /nfs/dbraw/zinc/00/52/27/268005227.db2.gz RAYJKGUPFMRBHM-KBPBESRZSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000372607191 268066713 /nfs/dbraw/zinc/06/67/13/268066713.db2.gz UAWUQLYNVTWMII-MRXNPFEDSA-N 1 1 341.415 0.664 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000372607191 268066715 /nfs/dbraw/zinc/06/67/15/268066715.db2.gz UAWUQLYNVTWMII-MRXNPFEDSA-N 1 1 341.415 0.664 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3[C@@H](CO)CC[C@H]3CO)C2=O)cc1 ZINC000347275258 268114577 /nfs/dbraw/zinc/11/45/77/268114577.db2.gz AZMKBTIIUGXVCA-BBWFWOEESA-N 1 1 329.400 0.871 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000369464870 268131484 /nfs/dbraw/zinc/13/14/84/268131484.db2.gz LZRRQXHYKBPRLD-CVEARBPZSA-N 1 1 342.399 0.554 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)N3CCOCC3)C2)nc1 ZINC000366437553 268184910 /nfs/dbraw/zinc/18/49/10/268184910.db2.gz KMYMYQRUXNAIGE-HNNXBMFYSA-N 1 1 330.388 0.655 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(=O)n4nccc4[nH]3)C2)nc1 ZINC000366420303 268185173 /nfs/dbraw/zinc/18/51/73/268185173.db2.gz CRXVYSMAXOTAFG-AWEZNQCLSA-N 1 1 336.355 0.943 20 30 ECEDMO N#Cc1cccc(CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000342095131 268243543 /nfs/dbraw/zinc/24/35/43/268243543.db2.gz LDYSSNOOSOURKC-INIZCTEOSA-N 1 1 343.431 0.740 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000372605933 268250171 /nfs/dbraw/zinc/25/01/71/268250171.db2.gz LUHSGSFISAMSRP-MRXNPFEDSA-N 1 1 341.415 0.664 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000372605933 268250172 /nfs/dbraw/zinc/25/01/72/268250172.db2.gz LUHSGSFISAMSRP-MRXNPFEDSA-N 1 1 341.415 0.664 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000365568796 268251048 /nfs/dbraw/zinc/25/10/48/268251048.db2.gz TZINGAHQSVBUHB-GOSISDBHSA-N 1 1 342.443 0.829 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000365568796 268251050 /nfs/dbraw/zinc/25/10/50/268251050.db2.gz TZINGAHQSVBUHB-GOSISDBHSA-N 1 1 342.443 0.829 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000516896193 268287029 /nfs/dbraw/zinc/28/70/29/268287029.db2.gz DRKXZVKACLUJKI-UHFFFAOYSA-N 1 1 348.428 0.143 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cnccn2)CC1 ZINC000528361309 268296593 /nfs/dbraw/zinc/29/65/93/268296593.db2.gz ZXZRXVRYVQOEHK-INIZCTEOSA-N 1 1 339.399 0.910 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000277116451 268330176 /nfs/dbraw/zinc/33/01/76/268330176.db2.gz YLXSMESSWGNMDF-CYBMUJFWSA-N 1 1 338.433 0.468 20 30 ECEDMO COCC1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000330708185 437594606 /nfs/dbraw/zinc/59/46/06/437594606.db2.gz NLXZXBBHWIXPEZ-UHFFFAOYSA-N 1 1 340.468 0.811 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000490857949 277228623 /nfs/dbraw/zinc/22/86/23/277228623.db2.gz WLIHAEJCVMNUOI-SREVYHEPSA-N 1 1 326.400 0.898 20 30 ECEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCNC[C@@H]1C)C(C)C ZINC000419572128 277847153 /nfs/dbraw/zinc/84/71/53/277847153.db2.gz QFYOFGJSYKIBEJ-HOTGVXAUSA-N 1 1 336.480 0.622 20 30 ECEDMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268712966 278113468 /nfs/dbraw/zinc/11/34/68/278113468.db2.gz UHAQTEMNXLTBGH-HOTGVXAUSA-N 1 1 337.445 0.995 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC(=O)N(C)C2)C[C@H](C)O1 ZINC000330141057 288187974 /nfs/dbraw/zinc/18/79/74/288187974.db2.gz PVYFVPHFVFBULD-BARDWOONSA-N 1 1 338.452 0.705 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC(=O)N(C)C2)C[C@H](C)O1 ZINC000330141057 288187977 /nfs/dbraw/zinc/18/79/77/288187977.db2.gz PVYFVPHFVFBULD-BARDWOONSA-N 1 1 338.452 0.705 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@H](C)c2nncn2C)C[C@H]1[NH+]1CCOCC1 ZINC000330183961 280340165 /nfs/dbraw/zinc/34/01/65/280340165.db2.gz IGIKRWCOVVFBOQ-MGPQQGTHSA-N 1 1 336.440 0.833 20 30 ECEDMO CN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H]1C#N ZINC000373490726 290015710 /nfs/dbraw/zinc/01/57/10/290015710.db2.gz SWCOKBIQLKCRQN-OAGGEKHMSA-N 1 1 335.452 0.479 20 30 ECEDMO CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000029673385 436206234 /nfs/dbraw/zinc/20/62/34/436206234.db2.gz RTRYFORLQAOGLL-UHFFFAOYSA-N 1 1 343.431 0.641 20 30 ECEDMO CNC(=O)NC(=O)CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029860542 436210483 /nfs/dbraw/zinc/21/04/83/436210483.db2.gz DQWKXMRVDBDDQH-UHFFFAOYSA-N 1 1 333.367 0.665 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000078659519 436274929 /nfs/dbraw/zinc/27/49/29/436274929.db2.gz PLEZSTMQKXRLKJ-INIZCTEOSA-N 1 1 330.432 0.932 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@H+](CCCOC)CC1 ZINC000081088002 436337716 /nfs/dbraw/zinc/33/77/16/436337716.db2.gz PIFZIMOUDLVDCZ-CQSZACIVSA-N 1 1 326.441 0.431 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)CC2(CC(=O)OC)CC2)CC1 ZINC000083991022 436377260 /nfs/dbraw/zinc/37/72/60/436377260.db2.gz KLBPAQZCVYWPTE-UHFFFAOYSA-N 1 1 330.450 0.900 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCN(C)c3ccccc3C2)CC1 ZINC000081670827 436354761 /nfs/dbraw/zinc/35/47/61/436354761.db2.gz YGAOPIUHWNATLW-UHFFFAOYSA-N 1 1 326.444 0.716 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCN(C)c3ccccc3C2)CC1 ZINC000081670827 436354765 /nfs/dbraw/zinc/35/47/65/436354765.db2.gz YGAOPIUHWNATLW-UHFFFAOYSA-N 1 1 326.444 0.716 20 30 ECEDMO C#CCN(C(=O)NC1CC[NH+](CC=C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000091218529 436446361 /nfs/dbraw/zinc/44/63/61/436446361.db2.gz OYYDIIBVWJLDOO-OAHLLOKOSA-N 1 1 339.461 0.469 20 30 ECEDMO CC[N@@H+](CCC(=O)OC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000091552011 436452788 /nfs/dbraw/zinc/45/27/88/436452788.db2.gz MEKOYHIYDPLMCH-OAHLLOKOSA-N 1 1 338.452 0.564 20 30 ECEDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091540050 436453419 /nfs/dbraw/zinc/45/34/19/436453419.db2.gz KQBCKMCKZJIUGS-CABCVRRESA-N 1 1 338.452 0.420 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000091622037 436455454 /nfs/dbraw/zinc/45/54/54/436455454.db2.gz AYYMXWRDNYYMKQ-QZTJIDSGSA-N 1 1 347.507 0.849 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000053220314 436527222 /nfs/dbraw/zinc/52/72/22/436527222.db2.gz LLNGRBHNFLJPBG-CQSZACIVSA-N 1 1 344.481 0.542 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000053220314 436527224 /nfs/dbraw/zinc/52/72/24/436527224.db2.gz LLNGRBHNFLJPBG-CQSZACIVSA-N 1 1 344.481 0.542 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000054989800 436563112 /nfs/dbraw/zinc/56/31/12/436563112.db2.gz YZDOJMVNVHMJQY-INIZCTEOSA-N 1 1 345.447 0.881 20 30 ECEDMO C[N@H+]1CCCC[C@H]1CN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000109753017 436625518 /nfs/dbraw/zinc/62/55/18/436625518.db2.gz RADMACCWMOEHMG-HKUYNNGSSA-N 1 1 347.507 0.897 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107301076 436609611 /nfs/dbraw/zinc/60/96/11/436609611.db2.gz SJJFWTUHYYQXTF-ZIAGYGMSSA-N 1 1 344.481 0.081 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107301076 436609612 /nfs/dbraw/zinc/60/96/12/436609612.db2.gz SJJFWTUHYYQXTF-ZIAGYGMSSA-N 1 1 344.481 0.081 20 30 ECEDMO C=CC1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000111260188 436630000 /nfs/dbraw/zinc/63/00/00/436630000.db2.gz AAPPUQGTUUDINR-UHFFFAOYSA-N 1 1 334.420 0.856 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000058922924 436630001 /nfs/dbraw/zinc/63/00/01/436630001.db2.gz SCGOQJPYSUOKTP-UHFFFAOYSA-N 1 1 329.466 0.543 20 30 ECEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)n(C)c(=O)n1C ZINC000063754030 436646222 /nfs/dbraw/zinc/64/62/22/436646222.db2.gz OKIWBHSOQOLMEN-UHFFFAOYSA-N 1 1 342.399 0.604 20 30 ECEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)n(C)c(=O)n1C ZINC000063754030 436646223 /nfs/dbraw/zinc/64/62/23/436646223.db2.gz OKIWBHSOQOLMEN-UHFFFAOYSA-N 1 1 342.399 0.604 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1 ZINC000064442469 436649477 /nfs/dbraw/zinc/64/94/77/436649477.db2.gz HBNLWJMYLPBSRL-UHFFFAOYSA-N 1 1 340.427 0.964 20 30 ECEDMO CC(C)[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)N1CCN(C)CC1 ZINC000549762054 302341165 /nfs/dbraw/zinc/34/11/65/302341165.db2.gz YVVBLQDKOOHHMH-KRWDZBQOSA-N 1 1 341.463 0.963 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000194718868 436670181 /nfs/dbraw/zinc/67/01/81/436670181.db2.gz HQKYKZCJDKXNSD-AWEZNQCLSA-N 1 1 337.445 0.975 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000194718288 436671389 /nfs/dbraw/zinc/67/13/89/436671389.db2.gz WCUYGIUPUGWELP-CQSZACIVSA-N 1 1 335.429 0.422 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000121877754 436728316 /nfs/dbraw/zinc/72/83/16/436728316.db2.gz DCFKNLYWXIQXCO-CQSZACIVSA-N 1 1 329.466 0.903 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000122360995 436733332 /nfs/dbraw/zinc/73/33/32/436733332.db2.gz JHCULWODIGNPLX-OAHLLOKOSA-N 1 1 342.443 0.701 20 30 ECEDMO C=CCCOCCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000124567924 436753597 /nfs/dbraw/zinc/75/35/97/436753597.db2.gz UZHKEXLXCUCBDZ-UHFFFAOYSA-N 1 1 326.441 0.431 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000245461304 436762691 /nfs/dbraw/zinc/76/26/91/436762691.db2.gz MYADJSLQQLVALV-IRXDYDNUSA-N 1 1 328.416 0.554 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000245461304 436762695 /nfs/dbraw/zinc/76/26/95/436762695.db2.gz MYADJSLQQLVALV-IRXDYDNUSA-N 1 1 328.416 0.554 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249348243 436818939 /nfs/dbraw/zinc/81/89/39/436818939.db2.gz PBJGLDDXEYQLNV-UHOFOFEASA-N 1 1 335.379 0.888 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000249348243 436818942 /nfs/dbraw/zinc/81/89/42/436818942.db2.gz PBJGLDDXEYQLNV-UHOFOFEASA-N 1 1 335.379 0.888 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000156638079 436819382 /nfs/dbraw/zinc/81/93/82/436819382.db2.gz KWLGXZUDHSUJIM-INIZCTEOSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000156638079 436819387 /nfs/dbraw/zinc/81/93/87/436819387.db2.gz KWLGXZUDHSUJIM-INIZCTEOSA-N 1 1 349.475 0.818 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246002506 436770995 /nfs/dbraw/zinc/77/09/95/436770995.db2.gz JIKLYUPWTSNHAH-IRXDYDNUSA-N 1 1 333.480 0.459 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000246085782 436772478 /nfs/dbraw/zinc/77/24/78/436772478.db2.gz NFXZXVIIOTXIRC-ZWKOTPCHSA-N 1 1 349.523 0.952 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246697663 436784660 /nfs/dbraw/zinc/78/46/60/436784660.db2.gz WYPQGWGAKAUJSB-JSGCOSHPSA-N 1 1 334.420 0.474 20 30 ECEDMO C#CCSCCNC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000154811861 436785413 /nfs/dbraw/zinc/78/54/13/436785413.db2.gz UPEZDFGIJZALBO-UHFFFAOYSA-N 1 1 326.466 0.158 20 30 ECEDMO C#CCSCCNC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000154811861 436785416 /nfs/dbraw/zinc/78/54/16/436785416.db2.gz UPEZDFGIJZALBO-UHFFFAOYSA-N 1 1 326.466 0.158 20 30 ECEDMO C#CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1CCCC1 ZINC000155797465 436803891 /nfs/dbraw/zinc/80/38/91/436803891.db2.gz ODEBZGNWCSYHIX-UHFFFAOYSA-N 1 1 329.466 0.262 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000248616269 436806165 /nfs/dbraw/zinc/80/61/65/436806165.db2.gz AKFAOYYRFMZTKD-HOTGVXAUSA-N 1 1 349.456 0.845 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000248616269 436806168 /nfs/dbraw/zinc/80/61/68/436806168.db2.gz AKFAOYYRFMZTKD-HOTGVXAUSA-N 1 1 349.456 0.845 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)c2ccccc2OCC)CC1 ZINC000292941322 436838393 /nfs/dbraw/zinc/83/83/93/436838393.db2.gz AZDGVDVSYGEKKL-UHFFFAOYSA-N 1 1 343.427 0.983 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1sccc1C#N)C[NH+]1CCOCC1 ZINC000293280601 436862839 /nfs/dbraw/zinc/86/28/39/436862839.db2.gz FJRWBLJNPJQUMQ-LLVKDONJSA-N 1 1 336.417 0.643 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OCCOC)nc1 ZINC000293394284 436873170 /nfs/dbraw/zinc/87/31/70/436873170.db2.gz NWRDYRPYMUAOCT-UHFFFAOYSA-N 1 1 348.403 0.117 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCSC2(CCOCC2)C1 ZINC000274513554 436837099 /nfs/dbraw/zinc/83/70/99/436837099.db2.gz WAMAIHCLSMWXPN-LBPRGKRZSA-N 1 1 327.450 0.985 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000293836516 436912518 /nfs/dbraw/zinc/91/25/18/436912518.db2.gz QFDLDGWRZFCNRY-UHFFFAOYSA-N 1 1 328.390 0.608 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(S(N)(=O)=O)ccc1OC ZINC000293975388 436924238 /nfs/dbraw/zinc/92/42/38/436924238.db2.gz MKLYTIWJNKDOOS-UHFFFAOYSA-N 1 1 339.417 0.028 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N(C)Cc1cc(Cl)cn1C ZINC000262026516 436901177 /nfs/dbraw/zinc/90/11/77/436901177.db2.gz ZUSRNQCNFUAIOG-OAHLLOKOSA-N 1 1 340.903 0.932 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000293723696 436903026 /nfs/dbraw/zinc/90/30/26/436903026.db2.gz FXISFGAUSHJSEG-CYBMUJFWSA-N 1 1 326.422 0.078 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000293725368 436903662 /nfs/dbraw/zinc/90/36/62/436903662.db2.gz GDBCEHWFBHNVCU-UHFFFAOYSA-N 1 1 338.429 0.848 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)nc1 ZINC000275443414 436969265 /nfs/dbraw/zinc/96/92/65/436969265.db2.gz GCUNTSKNAOWMFT-AWEZNQCLSA-N 1 1 330.432 0.726 20 30 ECEDMO C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1CC[NH+](C)CC1 ZINC000263668897 436975901 /nfs/dbraw/zinc/97/59/01/436975901.db2.gz KJTMGFZNHIZJFV-OAHLLOKOSA-N 1 1 342.447 0.238 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000171483277 436979255 /nfs/dbraw/zinc/97/92/55/436979255.db2.gz WWADAMKCSWOYJN-UHFFFAOYSA-N 1 1 347.394 0.707 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136430519 436932965 /nfs/dbraw/zinc/93/29/65/436932965.db2.gz YUXQFFAKIQZPKG-UHFFFAOYSA-N 1 1 336.367 0.720 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H](Cc1ccccc1)n1nnnc1C ZINC000294090306 436933408 /nfs/dbraw/zinc/93/34/08/436933408.db2.gz XLCJCOCSYLMESU-QGZVFWFLSA-N 1 1 340.431 0.837 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1C#N ZINC000295980335 436981429 /nfs/dbraw/zinc/98/14/29/436981429.db2.gz CZPAFFOCTZHFLK-CQSZACIVSA-N 1 1 344.415 0.768 20 30 ECEDMO Cc1[nH+]ccn1CCCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000263800288 436988661 /nfs/dbraw/zinc/98/86/61/436988661.db2.gz QEFOATXEWLHVNB-UHFFFAOYSA-N 1 1 325.372 1.000 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000171739460 436988755 /nfs/dbraw/zinc/98/87/55/436988755.db2.gz ZFHVWGNDXDXGEY-CQSZACIVSA-N 1 1 329.466 0.855 20 30 ECEDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000296352149 436989837 /nfs/dbraw/zinc/98/98/37/436989837.db2.gz ZUKCZPBLIPLSBX-CYBMUJFWSA-N 1 1 332.408 0.678 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000296808784 436997921 /nfs/dbraw/zinc/99/79/21/436997921.db2.gz IOHZBVKSTHNSFS-GFCCVEGCSA-N 1 1 348.369 0.652 20 30 ECEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000284823822 437074393 /nfs/dbraw/zinc/07/43/93/437074393.db2.gz AROYPYYDAVOPQO-LRDDRELGSA-N 1 1 337.445 0.573 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C[C@H]2Oc3ccccc3NC2=O)CC1 ZINC000299363294 437073258 /nfs/dbraw/zinc/07/32/58/437073258.db2.gz ZBXPIJVTPNIZPS-MRXNPFEDSA-N 1 1 327.384 0.944 20 30 ECEDMO Cn1ncnc1[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328878794 303099894 /nfs/dbraw/zinc/09/98/94/303099894.db2.gz LEBIHVXDOXEBOW-RDBSUJKOSA-N 1 1 334.424 0.729 20 30 ECEDMO N#C[C@H]1CN(C(=O)NCC(F)(F)C[NH3+])C[C@]12c1ccccc1NC2=O ZINC000418537127 303168810 /nfs/dbraw/zinc/16/88/10/303168810.db2.gz ICRJDBUFPXMCOE-MGPLVRAMSA-N 1 1 349.341 0.635 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000174867726 437089831 /nfs/dbraw/zinc/08/98/31/437089831.db2.gz MYADJSLQQLVALV-SJORKVTESA-N 1 1 328.416 0.554 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000174867726 437089835 /nfs/dbraw/zinc/08/98/35/437089835.db2.gz MYADJSLQQLVALV-SJORKVTESA-N 1 1 328.416 0.554 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CO)CC1 ZINC000305756534 437163445 /nfs/dbraw/zinc/16/34/45/437163445.db2.gz BDRBVXBJQHJWSE-ULQDDVLXSA-N 1 1 336.480 0.772 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000331556939 437119742 /nfs/dbraw/zinc/11/97/42/437119742.db2.gz GCPUZZYVJDHKRJ-OAHLLOKOSA-N 1 1 335.408 0.057 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)nc1 ZINC000301721860 437131117 /nfs/dbraw/zinc/13/11/17/437131117.db2.gz NFLKWBDTXFQBLN-IRXDYDNUSA-N 1 1 342.443 0.870 20 30 ECEDMO CN(C)C1(C#N)CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332055332 437202302 /nfs/dbraw/zinc/20/23/02/437202302.db2.gz OIWCLLZRHIXHPZ-LSDHHAIUSA-N 1 1 347.463 0.176 20 30 ECEDMO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000178188168 437207878 /nfs/dbraw/zinc/20/78/78/437207878.db2.gz MEWFPJFECGNXQH-CYBMUJFWSA-N 1 1 344.415 0.423 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC[N@H+]1C ZINC000328811803 437267524 /nfs/dbraw/zinc/26/75/24/437267524.db2.gz ORLJSTCRUZYGFJ-FRRDWIJNSA-N 1 1 332.470 0.397 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)[C@H]2C1 ZINC000332664206 437241168 /nfs/dbraw/zinc/24/11/68/437241168.db2.gz DZVPCETVQBVUTJ-MELADBBJSA-N 1 1 330.454 0.260 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cccnc2C#N)CCCO1 ZINC000277726226 437247993 /nfs/dbraw/zinc/24/79/93/437247993.db2.gz JIWKKTJIZPSWRA-CYBMUJFWSA-N 1 1 338.433 0.732 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(C#N)nc2)CCCO1 ZINC000277741884 437250616 /nfs/dbraw/zinc/25/06/16/437250616.db2.gz KGXFVEONHGMWAP-ZDUSSCGKSA-N 1 1 338.433 0.732 20 30 ECEDMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000328670930 437251458 /nfs/dbraw/zinc/25/14/58/437251458.db2.gz NATKOVGGBSFPQH-KGLIPLIRSA-N 1 1 346.497 0.646 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)n1cnc(C#N)n1 ZINC000336895948 437306886 /nfs/dbraw/zinc/30/68/86/437306886.db2.gz NAOIMJHXMNAIRY-XGUBFFRZSA-N 1 1 346.435 0.811 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)n1cnc(C#N)n1 ZINC000336895948 437306891 /nfs/dbraw/zinc/30/68/91/437306891.db2.gz NAOIMJHXMNAIRY-XGUBFFRZSA-N 1 1 346.435 0.811 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000336905374 437307251 /nfs/dbraw/zinc/30/72/51/437307251.db2.gz DRCPKCJMQTVYSL-CQSZACIVSA-N 1 1 332.470 0.413 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000336905374 437307254 /nfs/dbraw/zinc/30/72/54/437307254.db2.gz DRCPKCJMQTVYSL-CQSZACIVSA-N 1 1 332.470 0.413 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000336925425 437312528 /nfs/dbraw/zinc/31/25/28/437312528.db2.gz UXRGFCKAXQMWDK-CQSZACIVSA-N 1 1 332.470 0.415 20 30 ECEDMO O=C(C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)NC1CCOCC1 ZINC000329114220 437319816 /nfs/dbraw/zinc/31/98/16/437319816.db2.gz HQGPQNSXPVLJRR-QGZVFWFLSA-N 1 1 339.436 0.571 20 30 ECEDMO O=C(C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)NC1CCOCC1 ZINC000329114220 437319819 /nfs/dbraw/zinc/31/98/19/437319819.db2.gz HQGPQNSXPVLJRR-QGZVFWFLSA-N 1 1 339.436 0.571 20 30 ECEDMO CCOC(=O)CON=C(C(=O)NCCCC[NH+](C)C)c1ccn[nH]1 ZINC000278018205 437273264 /nfs/dbraw/zinc/27/32/64/437273264.db2.gz PUXYJAITJAUJSU-XMHGGMMESA-N 1 1 339.396 0.152 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCOC[C@H]2c2ncnn2C)C1 ZINC000328893660 437280401 /nfs/dbraw/zinc/28/04/01/437280401.db2.gz UNCHQTXYSJJXEK-KGLIPLIRSA-N 1 1 336.440 0.834 20 30 ECEDMO C=CCNC(=O)CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000182192494 437341609 /nfs/dbraw/zinc/34/16/09/437341609.db2.gz XKGRBJNQJBMBBS-UHFFFAOYSA-N 1 1 346.431 0.985 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000268125029 437370475 /nfs/dbraw/zinc/37/04/75/437370475.db2.gz RTOYYSANKYMFBI-ZDUSSCGKSA-N 1 1 343.435 0.663 20 30 ECEDMO COC(=O)COCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000288966111 437371808 /nfs/dbraw/zinc/37/18/08/437371808.db2.gz CGDAWHROSBEVID-UHFFFAOYSA-N 1 1 345.399 0.782 20 30 ECEDMO COC(=O)COCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000288966111 437371810 /nfs/dbraw/zinc/37/18/10/437371810.db2.gz CGDAWHROSBEVID-UHFFFAOYSA-N 1 1 345.399 0.782 20 30 ECEDMO COc1cc(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)ncn1 ZINC000329460631 437372070 /nfs/dbraw/zinc/37/20/70/437372070.db2.gz PGZFXFLNZCTWGE-UHFFFAOYSA-N 1 1 336.396 0.364 20 30 ECEDMO COc1ccc(CNC(=[NH2+])NC[C@H]2CN(C)CCN2C)cc1OC ZINC000267395272 437328621 /nfs/dbraw/zinc/32/86/21/437328621.db2.gz DYIMGNDFHJLMDP-AWEZNQCLSA-N 1 1 335.452 0.354 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000337150927 437337070 /nfs/dbraw/zinc/33/70/70/437337070.db2.gz JKAXADDGNLNANO-CYBMUJFWSA-N 1 1 332.470 0.244 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000337150927 437337073 /nfs/dbraw/zinc/33/70/73/437337073.db2.gz JKAXADDGNLNANO-CYBMUJFWSA-N 1 1 332.470 0.244 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C1=O ZINC000337204624 437339846 /nfs/dbraw/zinc/33/98/46/437339846.db2.gz IAYNTJHHUMUCIR-UONOGXRCSA-N 1 1 329.466 0.377 20 30 ECEDMO C[C@@H]1C[C@@H](CCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000329730296 437405459 /nfs/dbraw/zinc/40/54/59/437405459.db2.gz GDVZZMVAPSYZMT-CABCVRRESA-N 1 1 340.468 0.859 20 30 ECEDMO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000329836319 437419151 /nfs/dbraw/zinc/41/91/51/437419151.db2.gz MMNCVCLQTQUROT-IUODEOHRSA-N 1 1 345.465 0.338 20 30 ECEDMO Cc1nsc(N2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)c1C#N ZINC000329860974 437422619 /nfs/dbraw/zinc/42/26/19/437422619.db2.gz XQCBUJGVOGETIK-UHFFFAOYSA-N 1 1 348.476 0.219 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)N(S(C)(=O)=O)C1 ZINC000329897817 437427786 /nfs/dbraw/zinc/42/77/86/437427786.db2.gz LQMPYHMDEKRLMC-KWCYVHTRSA-N 1 1 345.465 0.642 20 30 ECEDMO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000338235783 437401388 /nfs/dbraw/zinc/40/13/88/437401388.db2.gz MFITUAZMGZIXKN-OAHLLOKOSA-N 1 1 349.460 0.357 20 30 ECEDMO CC[C@@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000330214803 437470200 /nfs/dbraw/zinc/47/02/00/437470200.db2.gz GLNCAUHEBGZHFZ-BZUAXINKSA-N 1 1 340.468 0.274 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@@H]1CCc2ncnn2C1 ZINC000330257114 437475771 /nfs/dbraw/zinc/47/57/71/437475771.db2.gz LEMFJINJFWVRQX-ZIAGYGMSSA-N 1 1 348.451 0.692 20 30 ECEDMO CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000330326934 437484819 /nfs/dbraw/zinc/48/48/19/437484819.db2.gz KNDWPWDMISJXKJ-GDBMZVCRSA-N 1 1 340.468 0.715 20 30 ECEDMO CN1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000329933128 437433100 /nfs/dbraw/zinc/43/31/00/437433100.db2.gz PXDSZBSQXMVPNG-MRXNPFEDSA-N 1 1 346.431 0.753 20 30 ECEDMO Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000330339938 437487231 /nfs/dbraw/zinc/48/72/31/437487231.db2.gz XHBKUJLTSPFKRM-KKUMJFAQSA-N 1 1 333.436 0.987 20 30 ECEDMO CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)CC2)cn1 ZINC000330028357 437446965 /nfs/dbraw/zinc/44/69/65/437446965.db2.gz OIZAKDXSYQWTNL-ZSHCYNCHSA-N 1 1 333.436 0.970 20 30 ECEDMO CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)CC2)cn1 ZINC000330028357 437446969 /nfs/dbraw/zinc/44/69/69/437446969.db2.gz OIZAKDXSYQWTNL-ZSHCYNCHSA-N 1 1 333.436 0.970 20 30 ECEDMO CC[N@H+]1CC[C@@H]2OCCN(CC(=O)N(CCC#N)CCC#N)[C@@H]2C1 ZINC000339375073 437462515 /nfs/dbraw/zinc/46/25/15/437462515.db2.gz BSVXYNXBGUDXEN-CVEARBPZSA-N 1 1 333.436 0.437 20 30 ECEDMO Cn1cc([C@@H]2CN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CCO2)cn1 ZINC000330170174 437462744 /nfs/dbraw/zinc/46/27/44/437462744.db2.gz BQQBGOXLISGXSO-KBPBESRZSA-N 1 1 330.392 0.919 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000339398865 437463730 /nfs/dbraw/zinc/46/37/30/437463730.db2.gz DVXGWDOUCUCYMP-LVQVYYBASA-N 1 1 335.448 0.779 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330374020 437492878 /nfs/dbraw/zinc/49/28/78/437492878.db2.gz MGRFJGPRZXIMGC-UONOGXRCSA-N 1 1 330.454 0.310 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000330387084 437497278 /nfs/dbraw/zinc/49/72/78/437497278.db2.gz MPTAELJCQTVNAZ-CYBMUJFWSA-N 1 1 332.470 0.101 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(N(C)S(=O)(=O)CC)CC2)C1=O ZINC000330398006 437501053 /nfs/dbraw/zinc/50/10/53/437501053.db2.gz SNCLNHOUUUGQCS-AWEZNQCLSA-N 1 1 329.466 0.519 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339722765 437501498 /nfs/dbraw/zinc/50/14/98/437501498.db2.gz NLEATBFPSXDOJE-OAHLLOKOSA-N 1 1 341.452 0.120 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339842146 437506170 /nfs/dbraw/zinc/50/61/70/437506170.db2.gz AXVFKFWRNRALDW-LBPRGKRZSA-N 1 1 325.390 0.308 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000339842146 437506175 /nfs/dbraw/zinc/50/61/75/437506175.db2.gz AXVFKFWRNRALDW-LBPRGKRZSA-N 1 1 325.390 0.308 20 30 ECEDMO C[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1CCO ZINC000187715899 437513448 /nfs/dbraw/zinc/51/34/48/437513448.db2.gz GNVGNZBICOYMAN-MRXNPFEDSA-N 1 1 330.432 0.932 20 30 ECEDMO C[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[N@H+]1CCO ZINC000187715899 437513455 /nfs/dbraw/zinc/51/34/55/437513455.db2.gz GNVGNZBICOYMAN-MRXNPFEDSA-N 1 1 330.432 0.932 20 30 ECEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCN1CCOCC1 ZINC000330354785 437488551 /nfs/dbraw/zinc/48/85/51/437488551.db2.gz PVRIYCCMERJJJV-UHFFFAOYSA-N 1 1 332.408 0.859 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)CC1 ZINC000330578194 437558700 /nfs/dbraw/zinc/55/87/00/437558700.db2.gz SBQRPZQNMDBBAW-RBSFLKMASA-N 1 1 335.452 0.782 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000330590279 437560283 /nfs/dbraw/zinc/56/02/83/437560283.db2.gz QBEQYQNNHBNLKB-MCIONIFRSA-N 1 1 327.425 0.895 20 30 ECEDMO CC[C@H]1CN(C(=O)Nc2cc(COC)ncn2)CC[N@H+]1C[C@H](C)O ZINC000330638478 437574844 /nfs/dbraw/zinc/57/48/44/437574844.db2.gz CTPXKYSBEYDOIE-JSGCOSHPSA-N 1 1 337.424 0.946 20 30 ECEDMO CCc1nn(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c(=O)c(C#N)c1CC ZINC000330639919 437576252 /nfs/dbraw/zinc/57/62/52/437576252.db2.gz CGPDCTHGBSKHFS-MELADBBJSA-N 1 1 348.447 0.710 20 30 ECEDMO C[C@@H](O)C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000291286324 437577381 /nfs/dbraw/zinc/57/73/81/437577381.db2.gz QSZFSHORICDJDF-PBHICJAKSA-N 1 1 348.422 0.847 20 30 ECEDMO C[C@@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000360317559 437581439 /nfs/dbraw/zinc/58/14/39/437581439.db2.gz QNMGCNDTKLFKQJ-RDTXWAMCSA-N 1 1 331.416 0.861 20 30 ECEDMO CN1C[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCC1=O ZINC000330854512 437633635 /nfs/dbraw/zinc/63/36/35/437633635.db2.gz HDGUTBVBOSUALW-ZDUSSCGKSA-N 1 1 326.441 0.300 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000343739886 437642614 /nfs/dbraw/zinc/64/26/14/437642614.db2.gz NYDCZWNNFGORGO-AWEZNQCLSA-N 1 1 334.464 0.520 20 30 ECEDMO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000330962651 437659851 /nfs/dbraw/zinc/65/98/51/437659851.db2.gz YWQGHPATHOJLQZ-ZDUSSCGKSA-N 1 1 340.449 0.645 20 30 ECEDMO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000330962651 437659857 /nfs/dbraw/zinc/65/98/57/437659857.db2.gz YWQGHPATHOJLQZ-ZDUSSCGKSA-N 1 1 340.449 0.645 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000355066351 437667314 /nfs/dbraw/zinc/66/73/14/437667314.db2.gz OBADYFANFMJXOA-UONOGXRCSA-N 1 1 347.419 0.901 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2(CO)CCCC2)CC1 ZINC000331028270 437674480 /nfs/dbraw/zinc/67/44/80/437674480.db2.gz QUFDUKFFRUBROZ-UHFFFAOYSA-N 1 1 326.441 0.348 20 30 ECEDMO CC(C)CNC(=O)NC(=O)CN1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000331106894 437690352 /nfs/dbraw/zinc/69/03/52/437690352.db2.gz AEBQROMUCGTFMW-AWEZNQCLSA-N 1 1 340.468 0.858 20 30 ECEDMO C=CCSCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000355445909 437707795 /nfs/dbraw/zinc/70/77/95/437707795.db2.gz IGSKKYGWSCBQAX-CYBMUJFWSA-N 1 1 328.482 0.792 20 30 ECEDMO COC[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000331258961 437727177 /nfs/dbraw/zinc/72/71/77/437727177.db2.gz GRDUQGUGIHQKSZ-KKUMJFAQSA-N 1 1 329.441 0.604 20 30 ECEDMO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC(=O)N1C ZINC000331304114 437737540 /nfs/dbraw/zinc/73/75/40/437737540.db2.gz YAEYRTFNAYAGDT-VXGBXAGGSA-N 1 1 325.413 0.453 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)CC1 ZINC000362920717 437760880 /nfs/dbraw/zinc/76/08/80/437760880.db2.gz RGESNUCLOZUAGI-HNNXBMFYSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCNC(=O)C1CC[NH+]([C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000363285942 437778910 /nfs/dbraw/zinc/77/89/10/437778910.db2.gz WZCKZUDHVHSDHE-HNNXBMFYSA-N 1 1 343.431 0.295 20 30 ECEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCCn1cnc(C#N)n1 ZINC000345565847 437792006 /nfs/dbraw/zinc/79/20/06/437792006.db2.gz MMUOQWHJNVXGGO-CQSZACIVSA-N 1 1 333.440 0.959 20 30 ECEDMO N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000363638168 437802181 /nfs/dbraw/zinc/80/21/81/437802181.db2.gz QCLFZSYBFOJUEM-IRXDYDNUSA-N 1 1 347.463 0.563 20 30 ECEDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H](C)C#N ZINC000423698042 437805889 /nfs/dbraw/zinc/80/58/89/437805889.db2.gz MDCMIENZQLGFML-UKRRQHHQSA-N 1 1 344.415 0.786 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[N@@H+](C)CCN(C)C ZINC000341621955 437875637 /nfs/dbraw/zinc/87/56/37/437875637.db2.gz JNVMQYWQEXUBEP-CQSZACIVSA-N 1 1 333.502 0.186 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCCCN(C)CC[NH+](C)C ZINC000341621955 437875640 /nfs/dbraw/zinc/87/56/40/437875640.db2.gz JNVMQYWQEXUBEP-CQSZACIVSA-N 1 1 333.502 0.186 20 30 ECEDMO COC(=O)[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000341878518 437919725 /nfs/dbraw/zinc/91/97/25/437919725.db2.gz VICBEAIVLVBMJM-HZPDHXFCSA-N 1 1 336.432 0.760 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000357292836 437958106 /nfs/dbraw/zinc/95/81/06/437958106.db2.gz AFUZHIZWIOPUIO-ZDUSSCGKSA-N 1 1 332.408 0.726 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000371999922 438022516 /nfs/dbraw/zinc/02/25/16/438022516.db2.gz RRGUKGYWYWYLAC-AWEZNQCLSA-N 1 1 347.419 0.902 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000371999922 438022520 /nfs/dbraw/zinc/02/25/20/438022520.db2.gz RRGUKGYWYWYLAC-AWEZNQCLSA-N 1 1 347.419 0.902 20 30 ECEDMO C=CCOCCC[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000348167587 438023930 /nfs/dbraw/zinc/02/39/30/438023930.db2.gz KKNZGQKJVBVSPK-HNNXBMFYSA-N 1 1 334.482 0.952 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426144708 438048708 /nfs/dbraw/zinc/04/87/08/438048708.db2.gz GOBYHNCVCKICBY-LLVKDONJSA-N 1 1 334.342 0.749 20 30 ECEDMO C#CCN(C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000365968602 437997395 /nfs/dbraw/zinc/99/73/95/437997395.db2.gz NXUSWILCNPJISU-KRWDZBQOSA-N 1 1 348.491 0.980 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000371842658 438000301 /nfs/dbraw/zinc/00/03/01/438000301.db2.gz ZEHMJRUENHJMIS-LBPRGKRZSA-N 1 1 334.380 0.074 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000371842658 438000308 /nfs/dbraw/zinc/00/03/08/438000308.db2.gz ZEHMJRUENHJMIS-LBPRGKRZSA-N 1 1 334.380 0.074 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)C1(C#N)CCCCC1 ZINC000366312979 438051300 /nfs/dbraw/zinc/05/13/00/438051300.db2.gz OSPVQOWTFITKJN-CHWSQXEVSA-N 1 1 332.404 0.266 20 30 ECEDMO C=CCN1CC[C@H](N(C)C(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1=O ZINC000374050675 438185288 /nfs/dbraw/zinc/18/52/88/438185288.db2.gz LHJAXKVXUUAYTR-INIZCTEOSA-N 1 1 348.491 0.792 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000358223809 438187459 /nfs/dbraw/zinc/18/74/59/438187459.db2.gz LPSUMUSFSYJRCM-ZDUSSCGKSA-N 1 1 329.809 0.557 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(CC(=O)N(CC)CC)CC2)C1=O ZINC000374162586 438191893 /nfs/dbraw/zinc/19/18/93/438191893.db2.gz MMKXVEKSFZCAID-INIZCTEOSA-N 1 1 336.480 0.649 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(CC(=O)N(CC)CC)CC2)C1=O ZINC000374162586 438191895 /nfs/dbraw/zinc/19/18/95/438191895.db2.gz MMKXVEKSFZCAID-INIZCTEOSA-N 1 1 336.480 0.649 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)C1=O ZINC000374162586 438191898 /nfs/dbraw/zinc/19/18/98/438191898.db2.gz MMKXVEKSFZCAID-INIZCTEOSA-N 1 1 336.480 0.649 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[N@H+](CC(=O)N(CC)CC)CC2)C1=O ZINC000374162586 438191901 /nfs/dbraw/zinc/19/19/01/438191901.db2.gz MMKXVEKSFZCAID-INIZCTEOSA-N 1 1 336.480 0.649 20 30 ECEDMO CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 ZINC000358377953 438214297 /nfs/dbraw/zinc/21/42/97/438214297.db2.gz BHATXQQLQHCVFQ-UHFFFAOYSA-N 1 1 344.419 1.042 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(=O)NCC#N ZINC000358310149 438196846 /nfs/dbraw/zinc/19/68/46/438196846.db2.gz JBJJBQSBXONWHO-GJZGRUSLSA-N 1 1 343.431 0.931 20 30 ECEDMO COc1ccccc1[C@@H](CNC(=O)NCC(=O)NCC#N)[NH+](C)C ZINC000358317771 438199425 /nfs/dbraw/zinc/19/94/25/438199425.db2.gz VGWNVUXLSVLMBW-CYBMUJFWSA-N 1 1 333.392 0.237 20 30 ECEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCn2cnc(C#N)n2)C1 ZINC000367849602 438259215 /nfs/dbraw/zinc/25/92/15/438259215.db2.gz PYOLHVHHUGFEDG-CQSZACIVSA-N 1 1 325.376 0.636 20 30 ECEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCn2cnc(C#N)n2)C1 ZINC000367849602 438259221 /nfs/dbraw/zinc/25/92/21/438259221.db2.gz PYOLHVHHUGFEDG-CQSZACIVSA-N 1 1 325.376 0.636 20 30 ECEDMO Cc1cccc(N2CCC(NC(=O)NCC(=O)NCC#N)CC2)[nH+]1 ZINC000376316258 438278153 /nfs/dbraw/zinc/27/81/53/438278153.db2.gz KDZPWFAJAGDMDZ-UHFFFAOYSA-N 1 1 330.392 0.298 20 30 ECEDMO C[N@H+]1CC[C@@H](CNC(=O)NCC(=O)NCC#N)[C@@H]1c1cccs1 ZINC000376328918 438278742 /nfs/dbraw/zinc/27/87/42/438278742.db2.gz WZTQZNORUPPZIL-SMDDNHRTSA-N 1 1 335.433 0.680 20 30 ECEDMO Cn1cc([C@@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000358792088 438303005 /nfs/dbraw/zinc/30/30/05/438303005.db2.gz QPNFIKADXHHRLR-OAHLLOKOSA-N 1 1 334.401 0.389 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2noc(C(C)C)n2)CC1 ZINC000377558882 438312299 /nfs/dbraw/zinc/31/22/99/438312299.db2.gz LSIMZDIWSHOJNX-CQSZACIVSA-N 1 1 333.436 0.839 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(Cc2noc(C(C)C)n2)CC1 ZINC000377558882 438312303 /nfs/dbraw/zinc/31/23/03/438312303.db2.gz LSIMZDIWSHOJNX-CQSZACIVSA-N 1 1 333.436 0.839 20 30 ECEDMO COC(=O)c1cn([C@H]2CC[N@@H+](CCC(=O)N(C)CCC#N)C2)nn1 ZINC000368856605 438392513 /nfs/dbraw/zinc/39/25/13/438392513.db2.gz XCDULEZNWQCCBQ-LBPRGKRZSA-N 1 1 334.380 0.074 20 30 ECEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCNC[C@@H]1C)C(C)C ZINC000419572371 438362611 /nfs/dbraw/zinc/36/26/11/438362611.db2.gz QFYOFGJSYKIBEJ-JKSUJKDBSA-N 1 1 336.480 0.622 20 30 ECEDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCCC#N ZINC000419646866 438365297 /nfs/dbraw/zinc/36/52/97/438365297.db2.gz JKPPWGLEQHTIPU-HNNXBMFYSA-N 1 1 344.415 0.978 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC2(C1)CC[NH+](CC(=O)NCC=C)CC2 ZINC000368763871 438378373 /nfs/dbraw/zinc/37/83/73/438378373.db2.gz WISMWWRMMQSFFW-UHFFFAOYSA-N 1 1 334.464 0.379 20 30 ECEDMO C=CCNC(=O)CN1CCC2(CC[N@H+](CC(=O)NCC=C)C2)CC1 ZINC000368763871 438378374 /nfs/dbraw/zinc/37/83/74/438378374.db2.gz WISMWWRMMQSFFW-UHFFFAOYSA-N 1 1 334.464 0.379 20 30 ECEDMO CCN(CCC#N)C(=O)CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378429931 438387641 /nfs/dbraw/zinc/38/76/41/438387641.db2.gz MBXDRNWYDHSOAU-KRWDZBQOSA-N 1 1 335.496 0.849 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000369123019 438425286 /nfs/dbraw/zinc/42/52/86/438425286.db2.gz WWUBSCKCLRNFGL-UONOGXRCSA-N 1 1 330.454 0.119 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CCO)CC3CC3)CC2)o1 ZINC000352456724 438427001 /nfs/dbraw/zinc/42/70/01/438427001.db2.gz AIBCQHPRIMLQBQ-UHFFFAOYSA-N 1 1 347.419 0.208 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCC(=O)OC)C[C@H]1CCCO1 ZINC000391192056 438438999 /nfs/dbraw/zinc/43/89/99/438438999.db2.gz SBWPOUNSIRZFJK-GFCCVEGCSA-N 1 1 327.381 0.042 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CCC(=O)OC)C[C@H]1CCCO1 ZINC000391192056 438439003 /nfs/dbraw/zinc/43/90/03/438439003.db2.gz SBWPOUNSIRZFJK-GFCCVEGCSA-N 1 1 327.381 0.042 20 30 ECEDMO C=CCCC[C@@H](C)NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000352236439 438400472 /nfs/dbraw/zinc/40/04/72/438400472.db2.gz DEFMBENYNAGDOZ-MRXNPFEDSA-N 1 1 338.496 0.943 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000437993220 438463673 /nfs/dbraw/zinc/46/36/73/438463673.db2.gz DGAMQDZTGXNOTN-ZBFHGGJFSA-N 1 1 338.452 0.431 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCN2C1=O ZINC000369408171 438467578 /nfs/dbraw/zinc/46/75/78/438467578.db2.gz KKOZOFSSFCINII-LLVKDONJSA-N 1 1 347.400 0.527 20 30 ECEDMO CN1C(=O)[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CCN2C1=O ZINC000369453357 438477222 /nfs/dbraw/zinc/47/72/22/438477222.db2.gz UQCLMAHRJYLTGE-AWEZNQCLSA-N 1 1 341.371 0.465 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000438459033 438479200 /nfs/dbraw/zinc/47/92/00/438479200.db2.gz XMWINYVAICYRKH-YQQAZPJKSA-N 1 1 341.452 0.350 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000420898515 438448497 /nfs/dbraw/zinc/44/84/97/438448497.db2.gz FHJGPCYUQGRORS-CQSZACIVSA-N 1 1 338.452 0.515 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000369312917 438452355 /nfs/dbraw/zinc/45/23/55/438452355.db2.gz UIXAFEVXFVQPLN-CQSZACIVSA-N 1 1 342.465 0.248 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352675047 438460844 /nfs/dbraw/zinc/46/08/44/438460844.db2.gz CUPRLGSINMOLSN-GARJFASQSA-N 1 1 337.342 0.879 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352675047 438460848 /nfs/dbraw/zinc/46/08/48/438460848.db2.gz CUPRLGSINMOLSN-GARJFASQSA-N 1 1 337.342 0.879 20 30 ECEDMO C#CCSCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369607948 438495792 /nfs/dbraw/zinc/49/57/92/438495792.db2.gz VNQYJQVFKFFUDG-HNNXBMFYSA-N 1 1 340.493 0.059 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)n1 ZINC000439341026 438510021 /nfs/dbraw/zinc/51/00/21/438510021.db2.gz LBIMLJYKSJTTRS-GFCCVEGCSA-N 1 1 332.408 0.827 20 30 ECEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1C ZINC000441101994 438576326 /nfs/dbraw/zinc/57/63/26/438576326.db2.gz LPHNIDIWGQSVQH-QWHCGFSZSA-N 1 1 332.408 0.676 20 30 ECEDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1C ZINC000441101994 438576329 /nfs/dbraw/zinc/57/63/29/438576329.db2.gz LPHNIDIWGQSVQH-QWHCGFSZSA-N 1 1 332.408 0.676 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000410512135 438595020 /nfs/dbraw/zinc/59/50/20/438595020.db2.gz JCGOSIWVQJYWPV-MRXNPFEDSA-N 1 1 336.480 0.649 20 30 ECEDMO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 ZINC000451966128 438620206 /nfs/dbraw/zinc/62/02/06/438620206.db2.gz DRDOREKCSPYGHI-CQSZACIVSA-N 1 1 332.470 0.509 20 30 ECEDMO C[N@H+]1CCN(CCNS(=O)(=O)c2ccc(C#N)s2)CC1(C)C ZINC000443090731 438641305 /nfs/dbraw/zinc/64/13/05/438641305.db2.gz WTJDFKKWAQBJEB-UHFFFAOYSA-N 1 1 342.490 0.924 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC12COC2 ZINC000451144283 438696693 /nfs/dbraw/zinc/69/66/93/438696693.db2.gz XYHDXJQRCXAPFU-AWEZNQCLSA-N 1 1 348.403 0.154 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC12COC2 ZINC000451144283 438696695 /nfs/dbraw/zinc/69/66/95/438696695.db2.gz XYHDXJQRCXAPFU-AWEZNQCLSA-N 1 1 348.403 0.154 20 30 ECEDMO COC(=O)c1ccc(-c2nnn(C[C@H](O)C[N@H+](C)CCC#N)n2)cc1 ZINC000414141223 438699215 /nfs/dbraw/zinc/69/92/15/438699215.db2.gz JZUZADPPCKXLMY-CQSZACIVSA-N 1 1 344.375 0.333 20 30 ECEDMO COC(=O)c1ccc(-c2nnn(C[C@H](O)C[N@@H+](C)CCC#N)n2)cc1 ZINC000414141223 438699219 /nfs/dbraw/zinc/69/92/19/438699219.db2.gz JZUZADPPCKXLMY-CQSZACIVSA-N 1 1 344.375 0.333 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453940257 438702547 /nfs/dbraw/zinc/70/25/47/438702547.db2.gz UUIHRNOMIQGOEK-GXTWGEPZSA-N 1 1 328.372 0.668 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000451668819 438707258 /nfs/dbraw/zinc/70/72/58/438707258.db2.gz WRZSLMZDJGEDOD-INIZCTEOSA-N 1 1 337.445 0.824 20 30 ECEDMO CCN1CC[NH+](CC(C)(C)NC(=O)CNc2ccc(C#N)cn2)CC1 ZINC000456898973 438784129 /nfs/dbraw/zinc/78/41/29/438784129.db2.gz MINNWUZAQTUZHX-UHFFFAOYSA-N 1 1 344.463 0.897 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000558494641 438811566 /nfs/dbraw/zinc/81/15/66/438811566.db2.gz FDVUXGFGFPVDQH-CYBMUJFWSA-N 1 1 327.344 0.123 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](Nc2ncc(C#N)cc2F)CC1=O ZINC000601178478 438828180 /nfs/dbraw/zinc/82/81/80/438828180.db2.gz RXUNUDCRMWGRLT-CYBMUJFWSA-N 1 1 335.383 0.683 20 30 ECEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000588830316 438842332 /nfs/dbraw/zinc/84/23/32/438842332.db2.gz WMAUTAKTRKLAAY-GOEBONIOSA-N 1 1 328.416 0.832 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)n(CCC#N)n1 ZINC000562351461 438850746 /nfs/dbraw/zinc/85/07/46/438850746.db2.gz QJLJHYXVTKVURZ-AWEZNQCLSA-N 1 1 346.435 0.842 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)n(CCC#N)n1 ZINC000562351461 438850751 /nfs/dbraw/zinc/85/07/51/438850751.db2.gz QJLJHYXVTKVURZ-AWEZNQCLSA-N 1 1 346.435 0.842 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@@H]2COCCO2)CC1 ZINC000595737039 438853957 /nfs/dbraw/zinc/85/39/57/438853957.db2.gz PPKRKLGJHQTZAE-CVEARBPZSA-N 1 1 338.452 0.026 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2COCCO2)CC1 ZINC000595737039 438853963 /nfs/dbraw/zinc/85/39/63/438853963.db2.gz PPKRKLGJHQTZAE-CVEARBPZSA-N 1 1 338.452 0.026 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000590010971 438897935 /nfs/dbraw/zinc/89/79/35/438897935.db2.gz DJXKIYSQJQKWCY-IXDOHACOSA-N 1 1 333.480 0.315 20 30 ECEDMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000563114634 438858604 /nfs/dbraw/zinc/85/86/04/438858604.db2.gz BAKXEODNNBMTNO-UHFFFAOYSA-N 1 1 328.416 0.921 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563415715 438865147 /nfs/dbraw/zinc/86/51/47/438865147.db2.gz FLXUGPBSKNILAH-HUUCEWRRSA-N 1 1 344.481 0.652 20 30 ECEDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000595827905 438868062 /nfs/dbraw/zinc/86/80/62/438868062.db2.gz RVLJASAMHDNGTP-CVEARBPZSA-N 1 1 346.431 0.986 20 30 ECEDMO C[C@@]1(C#N)CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000595842737 438870624 /nfs/dbraw/zinc/87/06/24/438870624.db2.gz ZGYIHMHYIWGXLW-KRWDZBQOSA-N 1 1 328.420 0.751 20 30 ECEDMO C[C@@]1(C#N)CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000595842737 438870628 /nfs/dbraw/zinc/87/06/28/438870628.db2.gz ZGYIHMHYIWGXLW-KRWDZBQOSA-N 1 1 328.420 0.751 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)ncc1C#N ZINC000515867440 438883509 /nfs/dbraw/zinc/88/35/09/438883509.db2.gz TWJAIYHDJLQDGB-KRWDZBQOSA-N 1 1 327.388 0.754 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2cnccc2C#N)CC1 ZINC000515865051 438884644 /nfs/dbraw/zinc/88/46/44/438884644.db2.gz VAMYCZPQXIUCKZ-MRXNPFEDSA-N 1 1 333.436 0.014 20 30 ECEDMO C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)[C@@H]2C1 ZINC000590282628 438908144 /nfs/dbraw/zinc/90/81/44/438908144.db2.gz VWXIDVMHDHJQAC-DGCLKSJQSA-N 1 1 344.419 0.611 20 30 ECEDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000458472913 438890535 /nfs/dbraw/zinc/89/05/35/438890535.db2.gz ZOUHYQKPGLBUDU-CQSZACIVSA-N 1 1 332.404 0.645 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000458472913 438890541 /nfs/dbraw/zinc/89/05/41/438890541.db2.gz ZOUHYQKPGLBUDU-CQSZACIVSA-N 1 1 332.404 0.645 20 30 ECEDMO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000595991883 438911098 /nfs/dbraw/zinc/91/10/98/438911098.db2.gz TXDSCUJXJINQLH-PBHICJAKSA-N 1 1 327.388 0.317 20 30 ECEDMO C[C@H]1CN(C(=O)NCC(=O)NCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000458774125 438914869 /nfs/dbraw/zinc/91/48/69/438914869.db2.gz MBZPFEZDELXRTB-OAHLLOKOSA-N 1 1 343.431 0.790 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601532001 438928077 /nfs/dbraw/zinc/92/80/77/438928077.db2.gz HGMVDEAMDIXLPH-CQSZACIVSA-N 1 1 335.452 0.033 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000596132834 438930165 /nfs/dbraw/zinc/93/01/65/438930165.db2.gz RBBUCAAMRIGIRD-UHFFFAOYSA-N 1 1 343.431 0.564 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000516878540 438932183 /nfs/dbraw/zinc/93/21/83/438932183.db2.gz OFGFZMZHEQOEJA-UHFFFAOYSA-N 1 1 329.466 0.789 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(CCC#N)CC3)C2)CC1 ZINC000601574195 438934650 /nfs/dbraw/zinc/93/46/50/438934650.db2.gz JCLHCIGWGDLUGQ-MRXNPFEDSA-N 1 1 348.495 0.396 20 30 ECEDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(CCC#N)CC3)C2)CC1 ZINC000601574195 438934652 /nfs/dbraw/zinc/93/46/52/438934652.db2.gz JCLHCIGWGDLUGQ-MRXNPFEDSA-N 1 1 348.495 0.396 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000565240495 438935897 /nfs/dbraw/zinc/93/58/97/438935897.db2.gz XEZDGAPMXSYHFI-AWEZNQCLSA-N 1 1 327.381 0.183 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000590759016 438955038 /nfs/dbraw/zinc/95/50/38/438955038.db2.gz VOCVGLHDJWNWFI-HNNXBMFYSA-N 1 1 337.445 0.878 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000590759016 438955042 /nfs/dbraw/zinc/95/50/42/438955042.db2.gz VOCVGLHDJWNWFI-HNNXBMFYSA-N 1 1 337.445 0.878 20 30 ECEDMO C[C@@](O)(CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000579091676 438979548 /nfs/dbraw/zinc/97/95/48/438979548.db2.gz LPAWOIHDQDDZKQ-YQVWRLOYSA-N 1 1 343.427 0.861 20 30 ECEDMO C[N@@H+](C[C@@H](O)CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000566123391 439009916 /nfs/dbraw/zinc/00/99/16/439009916.db2.gz IVRCLNNEGNFDOZ-ZWKOTPCHSA-N 1 1 342.443 0.704 20 30 ECEDMO C[N@@H+](CCCCNC(=O)C(=O)N1CCN(CCC#N)CC1)C1CC1 ZINC000602277907 439056533 /nfs/dbraw/zinc/05/65/33/439056533.db2.gz HJYLIJPPZURVAJ-UHFFFAOYSA-N 1 1 335.452 0.035 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(CC#N)cc2)CC[N@@H+](C)C1 ZINC000566158453 439014423 /nfs/dbraw/zinc/01/44/23/439014423.db2.gz KGFOIVCPAUABOJ-INIZCTEOSA-N 1 1 344.415 0.999 20 30 ECEDMO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000567102653 439114508 /nfs/dbraw/zinc/11/45/08/439114508.db2.gz BJKSYMHOJDBWQX-ZBFHGGJFSA-N 1 1 334.420 0.488 20 30 ECEDMO COCCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592155127 439168879 /nfs/dbraw/zinc/16/88/79/439168879.db2.gz YGEBXPRLOWTZRW-AEFFLSMTSA-N 1 1 334.416 0.966 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](C(=O)NC)(C(F)(F)F)C1 ZINC000592183720 439171342 /nfs/dbraw/zinc/17/13/42/439171342.db2.gz FRXNGGDAANFWQZ-CYBMUJFWSA-N 1 1 334.342 0.749 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@](C(=O)NC)(C(F)(F)F)C1 ZINC000592183720 439171349 /nfs/dbraw/zinc/17/13/49/439171349.db2.gz FRXNGGDAANFWQZ-CYBMUJFWSA-N 1 1 334.342 0.749 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000592187025 439174219 /nfs/dbraw/zinc/17/42/19/439174219.db2.gz YECVKMMQFQVNSZ-IINYFYTJSA-N 1 1 346.353 0.938 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000592187025 439174223 /nfs/dbraw/zinc/17/42/23/439174223.db2.gz YECVKMMQFQVNSZ-IINYFYTJSA-N 1 1 346.353 0.938 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@](C)(CO)C1 ZINC000602963574 439172143 /nfs/dbraw/zinc/17/21/43/439172143.db2.gz GXWVHSQMWCJURG-SZMVWBNQSA-N 1 1 334.416 0.964 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@](O)(CC#N)C3)C2)CC1 ZINC000591960048 439122317 /nfs/dbraw/zinc/12/23/17/439122317.db2.gz RPKMCLMPCBIXLG-PBHICJAKSA-N 1 1 335.452 0.215 20 30 ECEDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CC[C@@](O)(CC#N)C3)C2)CC1 ZINC000591960048 439122322 /nfs/dbraw/zinc/12/23/22/439122322.db2.gz RPKMCLMPCBIXLG-PBHICJAKSA-N 1 1 335.452 0.215 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592147647 439165256 /nfs/dbraw/zinc/16/52/56/439165256.db2.gz QZOZYCXDTHDVLC-CXAGYDPISA-N 1 1 337.420 0.527 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592147647 439165258 /nfs/dbraw/zinc/16/52/58/439165258.db2.gz QZOZYCXDTHDVLC-CXAGYDPISA-N 1 1 337.420 0.527 20 30 ECEDMO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000603155341 439197580 /nfs/dbraw/zinc/19/75/80/439197580.db2.gz JCIHALSLJVEOCI-IAGOWNOFSA-N 1 1 328.416 0.926 20 30 ECEDMO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000603155341 439197583 /nfs/dbraw/zinc/19/75/83/439197583.db2.gz JCIHALSLJVEOCI-IAGOWNOFSA-N 1 1 328.416 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000490617010 439279299 /nfs/dbraw/zinc/27/92/99/439279299.db2.gz NMYJAVXDVORAKF-CQSZACIVSA-N 1 1 349.412 0.125 20 30 ECEDMO CNS(=O)(=O)CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000598584115 439280709 /nfs/dbraw/zinc/28/07/09/439280709.db2.gz CDABGLBFAVTPTI-UHFFFAOYSA-N 1 1 336.461 0.615 20 30 ECEDMO CNS(=O)(=O)CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000598584115 439280719 /nfs/dbraw/zinc/28/07/19/439280719.db2.gz CDABGLBFAVTPTI-UHFFFAOYSA-N 1 1 336.461 0.615 20 30 ECEDMO CNS(=O)(=O)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000598584115 439280724 /nfs/dbraw/zinc/28/07/24/439280724.db2.gz CDABGLBFAVTPTI-UHFFFAOYSA-N 1 1 336.461 0.615 20 30 ECEDMO C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598593127 439282691 /nfs/dbraw/zinc/28/26/91/439282691.db2.gz QMJLEZJEPSTRFZ-HZPDHXFCSA-N 1 1 336.480 0.916 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000603400974 439255808 /nfs/dbraw/zinc/25/58/08/439255808.db2.gz DAMJLDAPEVKTCD-UHFFFAOYSA-N 1 1 331.486 0.084 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000603409212 439256956 /nfs/dbraw/zinc/25/69/56/439256956.db2.gz IWGWZVUVWANXGH-HNNXBMFYSA-N 1 1 331.420 0.413 20 30 ECEDMO N#Cc1cc(Br)cnc1NC[C@@]1(CO)COCC[NH2+]1 ZINC000603420709 439260136 /nfs/dbraw/zinc/26/01/36/439260136.db2.gz XBHBYBGUHRHTDC-GFCCVEGCSA-N 1 1 327.182 0.479 20 30 ECEDMO N#CC1(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000603436721 439262342 /nfs/dbraw/zinc/26/23/42/439262342.db2.gz QZZKVFQXTMFSSF-OAHLLOKOSA-N 1 1 335.452 0.386 20 30 ECEDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@@H]1C ZINC000527407718 439270551 /nfs/dbraw/zinc/27/05/51/439270551.db2.gz OIOYHWJRPZJNGG-KBPBESRZSA-N 1 1 346.435 0.985 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@@H]1C ZINC000527407718 439270555 /nfs/dbraw/zinc/27/05/55/439270555.db2.gz OIOYHWJRPZJNGG-KBPBESRZSA-N 1 1 346.435 0.985 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000490948781 439314966 /nfs/dbraw/zinc/31/49/66/439314966.db2.gz HBSMCVNLKAGRAQ-AWEZNQCLSA-N 1 1 344.367 0.786 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000491070508 439328405 /nfs/dbraw/zinc/32/84/05/439328405.db2.gz CRFRJCDKFDZRPM-UHFFFAOYSA-N 1 1 329.404 0.439 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000491117955 439333053 /nfs/dbraw/zinc/33/30/53/439333053.db2.gz AXQPQWDRLOXVDZ-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000491123082 439334190 /nfs/dbraw/zinc/33/41/90/439334190.db2.gz ZJERHGPDKBHYAW-UHFFFAOYSA-N 1 1 327.428 0.821 20 30 ECEDMO NC(=O)N[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528427216 439337498 /nfs/dbraw/zinc/33/74/98/439337498.db2.gz IOBJCANQMJEXTO-GFCCVEGCSA-N 1 1 326.356 0.029 20 30 ECEDMO NC(=O)N[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528427216 439337503 /nfs/dbraw/zinc/33/75/03/439337503.db2.gz IOBJCANQMJEXTO-GFCCVEGCSA-N 1 1 326.356 0.029 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000490675968 439286300 /nfs/dbraw/zinc/28/63/00/439286300.db2.gz GFZFLSWXDKKMIJ-CQSZACIVSA-N 1 1 349.456 0.670 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)CC1 ZINC000490851287 439301944 /nfs/dbraw/zinc/30/19/44/439301944.db2.gz GIWHUKOSTVMHJS-JSGCOSHPSA-N 1 1 333.354 0.151 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)CC1 ZINC000490851287 439301949 /nfs/dbraw/zinc/30/19/49/439301949.db2.gz GIWHUKOSTVMHJS-JSGCOSHPSA-N 1 1 333.354 0.151 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000490898981 439309175 /nfs/dbraw/zinc/30/91/75/439309175.db2.gz MUULKJAJMQVBBN-ZIAGYGMSSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000490898981 439309178 /nfs/dbraw/zinc/30/91/78/439309178.db2.gz MUULKJAJMQVBBN-ZIAGYGMSSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCS(=O)(=O)C1 ZINC000490917064 439311962 /nfs/dbraw/zinc/31/19/62/439311962.db2.gz VTPZIMCUNCPQTL-ZNMIVQPWSA-N 1 1 339.461 0.445 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCOc2ccc(OC)cc2)CC1 ZINC000491166566 439342318 /nfs/dbraw/zinc/34/23/18/439342318.db2.gz SHDWXQXGCJDSJZ-UHFFFAOYSA-N 1 1 345.443 0.831 20 30 ECEDMO C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000491327851 439365992 /nfs/dbraw/zinc/36/59/92/439365992.db2.gz YJKUSYRAJRSRLR-HNNXBMFYSA-N 1 1 343.427 0.980 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000491192377 439345734 /nfs/dbraw/zinc/34/57/34/439345734.db2.gz NTOJERCPWITFQX-OAHLLOKOSA-N 1 1 334.464 0.888 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000491229638 439354071 /nfs/dbraw/zinc/35/40/71/439354071.db2.gz ILXFDOJVKBLNJG-UHFFFAOYSA-N 1 1 326.393 0.914 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000491229638 439354075 /nfs/dbraw/zinc/35/40/75/439354075.db2.gz ILXFDOJVKBLNJG-UHFFFAOYSA-N 1 1 326.393 0.914 20 30 ECEDMO C#CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000491230813 439355120 /nfs/dbraw/zinc/35/51/20/439355120.db2.gz PDIJGNDTXQKXTP-LSDHHAIUSA-N 1 1 343.493 0.939 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)NC)ccc1C ZINC000491348088 439369638 /nfs/dbraw/zinc/36/96/38/439369638.db2.gz BYCADPCVJYMCMI-UHFFFAOYSA-N 1 1 337.445 0.588 20 30 ECEDMO C#CCNC(=O)C1CCN(CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000491620989 439412789 /nfs/dbraw/zinc/41/27/89/439412789.db2.gz CRGFKMYNBSUBJU-UHFFFAOYSA-N 1 1 334.464 0.048 20 30 ECEDMO C#CCN(C)CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000491624987 439415593 /nfs/dbraw/zinc/41/55/93/439415593.db2.gz HOIVTQFTSCSHDQ-HNNXBMFYSA-N 1 1 349.479 0.822 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000583082981 439417585 /nfs/dbraw/zinc/41/75/85/439417585.db2.gz WKAGNKMNXBOVDO-CXAGYDPISA-N 1 1 340.427 0.968 20 30 ECEDMO C#CC[NH+](C)CCCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000491661987 439422694 /nfs/dbraw/zinc/42/26/94/439422694.db2.gz GKIRWLKSTJICRQ-DLBZAZTESA-N 1 1 348.491 0.391 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CCC[N@@H+]1CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000491670931 439423895 /nfs/dbraw/zinc/42/38/95/439423895.db2.gz PREQBOITQTYGRI-LSDHHAIUSA-N 1 1 341.477 0.693 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@@]1(O)C[C@H](OCC)C1(C)C ZINC000491811490 439455682 /nfs/dbraw/zinc/45/56/82/439455682.db2.gz LVBCSCBCBUOTJI-YOEHRIQHSA-N 1 1 325.453 0.807 20 30 ECEDMO C#C[C@H]1COCCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000491716440 439435243 /nfs/dbraw/zinc/43/52/43/439435243.db2.gz NNOSJBJXLIOHGP-SFHVURJKSA-N 1 1 327.428 0.665 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000491775012 439449461 /nfs/dbraw/zinc/44/94/61/439449461.db2.gz WNHDZUDSJMIFDR-HNNXBMFYSA-N 1 1 332.452 0.643 20 30 ECEDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599385795 439450789 /nfs/dbraw/zinc/45/07/89/439450789.db2.gz NBMVXCFPIYMVDL-HUUCEWRRSA-N 1 1 344.477 0.957 20 30 ECEDMO Cn1cnnc1N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000594026179 439510084 /nfs/dbraw/zinc/51/00/84/439510084.db2.gz FGTURPFRDRPONX-OAHLLOKOSA-N 1 1 342.403 0.249 20 30 ECEDMO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1nnnn1-c1ccccc1 ZINC000571040092 439471043 /nfs/dbraw/zinc/47/10/43/439471043.db2.gz RSZKWEGGWQRWDG-DZGCQCFKSA-N 1 1 329.408 0.519 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1nnnn1-c1ccccc1 ZINC000571040094 439471278 /nfs/dbraw/zinc/47/12/78/439471278.db2.gz RSZKWEGGWQRWDG-UKRRQHHQSA-N 1 1 329.408 0.519 20 30 ECEDMO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599475074 439484351 /nfs/dbraw/zinc/48/43/51/439484351.db2.gz ZUQBYQBFNHYISR-WMLDXEAASA-N 1 1 340.420 0.712 20 30 ECEDMO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599475074 439484356 /nfs/dbraw/zinc/48/43/56/439484356.db2.gz ZUQBYQBFNHYISR-WMLDXEAASA-N 1 1 340.420 0.712 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000599569277 439508212 /nfs/dbraw/zinc/50/82/12/439508212.db2.gz WZJIBRBXLFXLKV-KRWDZBQOSA-N 1 1 337.420 0.935 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000599569277 439508216 /nfs/dbraw/zinc/50/82/16/439508216.db2.gz WZJIBRBXLFXLKV-KRWDZBQOSA-N 1 1 337.420 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C ZINC000491815607 439457318 /nfs/dbraw/zinc/45/73/18/439457318.db2.gz VCSASDASMPPBDK-UKRRQHHQSA-N 1 1 342.461 0.734 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)c(C#N)cn2)C1 ZINC000594291150 439535442 /nfs/dbraw/zinc/53/54/42/439535442.db2.gz LNIOMHTWJAUPTP-CYBMUJFWSA-N 1 1 331.376 0.037 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000599688789 439536064 /nfs/dbraw/zinc/53/60/64/439536064.db2.gz BBFZPHJXFUZIEJ-CYBMUJFWSA-N 1 1 330.454 0.010 20 30 ECEDMO CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000543753523 439562930 /nfs/dbraw/zinc/56/29/30/439562930.db2.gz WBXINHDKUDZAMX-LBPRGKRZSA-N 1 1 345.451 0.922 20 30 ECEDMO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000584220049 439563246 /nfs/dbraw/zinc/56/32/46/439563246.db2.gz HTQMGUPHZKWLGE-GJZGRUSLSA-N 1 1 333.436 0.879 20 30 ECEDMO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000584220049 439563251 /nfs/dbraw/zinc/56/32/51/439563251.db2.gz HTQMGUPHZKWLGE-GJZGRUSLSA-N 1 1 333.436 0.879 20 30 ECEDMO CC(C)(O)C[N@@H+](CC(=O)N(CCC#N)CCC#N)C1CCOCC1 ZINC000531841970 439513970 /nfs/dbraw/zinc/51/39/70/439513970.db2.gz WPFQBAINVDXWHU-UHFFFAOYSA-N 1 1 336.436 0.894 20 30 ECEDMO C[N@H+]1CCC[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000609383347 439567811 /nfs/dbraw/zinc/56/78/11/439567811.db2.gz WTTOCTWKFAALTF-MRXNPFEDSA-N 1 1 349.456 0.931 20 30 ECEDMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000572440437 439582551 /nfs/dbraw/zinc/58/25/51/439582551.db2.gz NFXIWURMSOXLOZ-CQSZACIVSA-N 1 1 326.400 0.905 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 ZINC000609672436 439583664 /nfs/dbraw/zinc/58/36/64/439583664.db2.gz HBZQHXYZYOSJJN-ROUUACIJSA-N 1 1 341.459 0.796 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)nn1CCC#N ZINC000600035362 439600227 /nfs/dbraw/zinc/60/02/27/439600227.db2.gz MRUMTENPQWXGLB-CQSZACIVSA-N 1 1 346.435 0.892 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1Cl ZINC000600097636 439612892 /nfs/dbraw/zinc/61/28/92/439612892.db2.gz CMRJZKMVVLFANO-LBPRGKRZSA-N 1 1 336.779 0.333 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594792408 439613253 /nfs/dbraw/zinc/61/32/53/439613253.db2.gz QPDKDWXTPMVLNY-AWEZNQCLSA-N 1 1 346.497 0.803 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000585727710 439645799 /nfs/dbraw/zinc/64/57/99/439645799.db2.gz GGMPZFIDQBWIQE-CQSZACIVSA-N 1 1 346.431 0.820 20 30 ECEDMO CCn1cc(C[N@@H+]2CCCN(C(=O)Cn3cnc(C#N)n3)CC2)cn1 ZINC000610883874 439653277 /nfs/dbraw/zinc/65/32/77/439653277.db2.gz SYPPORQHRRFQJO-UHFFFAOYSA-N 1 1 342.407 0.101 20 30 ECEDMO CCn1cc(C[N@H+]2CCCN(C(=O)Cn3cnc(C#N)n3)CC2)cn1 ZINC000610883874 439653280 /nfs/dbraw/zinc/65/32/80/439653280.db2.gz SYPPORQHRRFQJO-UHFFFAOYSA-N 1 1 342.407 0.101 20 30 ECEDMO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595138873 439661280 /nfs/dbraw/zinc/66/12/80/439661280.db2.gz HXOYWLTYRILTOY-GOSISDBHSA-N 1 1 349.479 0.233 20 30 ECEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595138873 439661282 /nfs/dbraw/zinc/66/12/82/439661282.db2.gz HXOYWLTYRILTOY-GOSISDBHSA-N 1 1 349.479 0.233 20 30 ECEDMO CC(C)[C@@H](CNC(=O)Nc1nn(C)cc1C#N)N1CC[NH+](C)CC1 ZINC000610562970 439626472 /nfs/dbraw/zinc/62/64/72/439626472.db2.gz MTWUCOINZTZJHQ-CQSZACIVSA-N 1 1 333.440 0.685 20 30 ECEDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1ccccc1C#N ZINC000594842948 439626628 /nfs/dbraw/zinc/62/66/28/439626628.db2.gz JYTNMNOYPKIQJC-UHFFFAOYSA-N 1 1 338.433 0.199 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCN(C3CCC3)C2=O)nc1 ZINC000600760495 439701472 /nfs/dbraw/zinc/70/14/72/439701472.db2.gz KHUAIEDOPUCQJA-AWEZNQCLSA-N 1 1 348.428 0.470 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@@H](O)CC3(O)CCOCC3)CC2)nc1 ZINC000600845779 439709398 /nfs/dbraw/zinc/70/93/98/439709398.db2.gz IORQNWPCAYMREL-INIZCTEOSA-N 1 1 346.431 0.368 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000600846884 439710307 /nfs/dbraw/zinc/71/03/07/439710307.db2.gz UIJQVCKCHIPEKO-QIIPPGSGSA-N 1 1 345.447 0.771 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000600846884 439710309 /nfs/dbraw/zinc/71/03/09/439710309.db2.gz UIJQVCKCHIPEKO-QIIPPGSGSA-N 1 1 345.447 0.771 20 30 ECEDMO N#Cc1ccnc(N2CC[NH+](C[C@H](O)CC3(O)CCOCC3)CC2)c1 ZINC000600845784 439710573 /nfs/dbraw/zinc/71/05/73/439710573.db2.gz IZIBJCHGWAXZBJ-MRXNPFEDSA-N 1 1 346.431 0.368 20 30 ECEDMO CC[N@H+]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@H]1C ZINC000611373168 439695761 /nfs/dbraw/zinc/69/57/61/439695761.db2.gz JRRQOVRGASXVBI-SJORKVTESA-N 1 1 335.496 0.705 20 30 ECEDMO C[N@@H+](CC(=O)N1CCOCC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000613132723 439750786 /nfs/dbraw/zinc/75/07/86/439750786.db2.gz WDJMGRRXFKOUEL-INIZCTEOSA-N 1 1 347.415 0.283 20 30 ECEDMO C[N@H+](CC(=O)N1CCOCC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000613132723 439750787 /nfs/dbraw/zinc/75/07/87/439750787.db2.gz WDJMGRRXFKOUEL-INIZCTEOSA-N 1 1 347.415 0.283 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)C1 ZINC000613267312 439754224 /nfs/dbraw/zinc/75/42/24/439754224.db2.gz CCRRNFXLIJPFKR-CQSZACIVSA-N 1 1 326.466 0.332 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000658502594 439963791 /nfs/dbraw/zinc/96/37/91/439963791.db2.gz RXIIXZITHPSZMJ-UHFFFAOYSA-N 1 1 346.431 0.748 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N([C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1=O ZINC000663323949 440056213 /nfs/dbraw/zinc/05/62/13/440056213.db2.gz LJRPHLRZWNTSPY-RRFJBIMHSA-N 1 1 349.431 0.753 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC[NH+](CC(=O)N(CC)CC)CC2)nn1 ZINC000655074115 440474393 /nfs/dbraw/zinc/47/43/93/440474393.db2.gz UBRPYQIERMRVFC-UHFFFAOYSA-N 1 1 348.451 0.527 20 30 ECEDMO C=C[C@H](O)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000666836602 440695999 /nfs/dbraw/zinc/69/59/99/440695999.db2.gz WTCIPAVZLNLFNF-INIZCTEOSA-N 1 1 347.415 0.511 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000644824561 440698227 /nfs/dbraw/zinc/69/82/27/440698227.db2.gz XQQLTTCYGJBYSP-ZBFHGGJFSA-N 1 1 349.456 0.927 20 30 ECEDMO C=CCn1cc(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)nn1 ZINC000644935782 440718763 /nfs/dbraw/zinc/71/87/63/440718763.db2.gz BZZRPGNESZGVQD-CQSZACIVSA-N 1 1 347.467 0.432 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000645028759 440733607 /nfs/dbraw/zinc/73/36/07/440733607.db2.gz FEELAAYWFUEWAQ-JSGCOSHPSA-N 1 1 341.371 0.913 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)C1=O ZINC000639769366 440787586 /nfs/dbraw/zinc/78/75/86/440787586.db2.gz HGAWAEUOXFHUAL-CVEARBPZSA-N 1 1 339.505 0.913 20 30 ECEDMO O=C(NCC#CCO)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635900863 441028004 /nfs/dbraw/zinc/02/80/04/441028004.db2.gz XPRPFQKJPWIRRC-PKOBYXMFSA-N 1 1 328.412 0.637 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC001041737170 782087895 /nfs/dbraw/zinc/08/78/95/782087895.db2.gz FEOMUZFLQRQNMG-GOSISDBHSA-N 1 1 339.399 0.996 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001041739778 782093409 /nfs/dbraw/zinc/09/34/09/782093409.db2.gz JEVLKJIJKDPWRC-MRXNPFEDSA-N 1 1 339.823 0.716 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001041739778 782093418 /nfs/dbraw/zinc/09/34/18/782093418.db2.gz JEVLKJIJKDPWRC-MRXNPFEDSA-N 1 1 339.823 0.716 20 30 ECEDMO N#Cc1ccncc1N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000555650673 322186019 /nfs/dbraw/zinc/18/60/19/322186019.db2.gz BTFCEYHGDPRIIL-UHFFFAOYSA-N 1 1 327.348 0.880 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCn2cnc(C#N)n2)C[C@@H](C)O1 ZINC000561927566 322264724 /nfs/dbraw/zinc/26/47/24/322264724.db2.gz AOBWTAMUIZIPOK-CHWSQXEVSA-N 1 1 349.439 0.337 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000564424000 322374386 /nfs/dbraw/zinc/37/43/86/322374386.db2.gz OXNTVINMKNYGJI-CYBMUJFWSA-N 1 1 348.428 0.189 20 30 ECEDMO CC(C)N1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1=O ZINC000565475775 322458659 /nfs/dbraw/zinc/45/86/59/322458659.db2.gz FKBWUZUHANQFOB-CYBMUJFWSA-N 1 1 336.417 0.326 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000566286452 322521775 /nfs/dbraw/zinc/52/17/75/322521775.db2.gz NXCXFGALMASLHK-DLBZAZTESA-N 1 1 340.427 0.942 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC(=O)N(C3CC3)C2)nc1 ZINC000577384812 322833801 /nfs/dbraw/zinc/83/38/01/322833801.db2.gz BFGKQJUMIILTEX-LBPRGKRZSA-N 1 1 334.401 0.080 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@]3(CCN(C(=O)c4cnon4)C3)C2)C1=O ZINC001041747736 782116478 /nfs/dbraw/zinc/11/64/78/782116478.db2.gz BTVIMDSSNOQFQL-PBHICJAKSA-N 1 1 345.403 0.395 20 30 ECEDMO CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329396006 546021865 /nfs/dbraw/zinc/02/18/65/546021865.db2.gz XGDISINUAYPLLH-CHWSQXEVSA-N 1 1 328.482 0.890 20 30 ECEDMO N#C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000332779723 546047912 /nfs/dbraw/zinc/04/79/12/546047912.db2.gz RAWSVJNBKSEAIN-HUUCEWRRSA-N 1 1 334.420 0.118 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1CNc2ccnn2C1 ZINC000619264248 546312037 /nfs/dbraw/zinc/31/20/37/546312037.db2.gz CTPCNDANYKYZDT-KGLIPLIRSA-N 1 1 338.419 0.797 20 30 ECEDMO COC[C@H]1C[C@@H](O)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625512545 547128781 /nfs/dbraw/zinc/12/87/81/547128781.db2.gz IZXYLTGFPGGIRC-ZIAGYGMSSA-N 1 1 328.368 0.368 20 30 ECEDMO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@@H]1COCCO1 ZINC000625536572 547141361 /nfs/dbraw/zinc/14/13/61/547141361.db2.gz GTGWLLGHTLXHJA-CQSZACIVSA-N 1 1 328.368 0.633 20 30 ECEDMO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@@H]1COCCO1 ZINC000625536572 547141365 /nfs/dbraw/zinc/14/13/65/547141365.db2.gz GTGWLLGHTLXHJA-CQSZACIVSA-N 1 1 328.368 0.633 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001078027738 782170081 /nfs/dbraw/zinc/17/00/81/782170081.db2.gz GEANPSIGCQNSFJ-HUUCEWRRSA-N 1 1 343.383 0.311 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC001041777113 782180856 /nfs/dbraw/zinc/18/08/56/782180856.db2.gz HWVKNZKUXUWQFI-CRAIPNDOSA-N 1 1 343.431 0.801 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCCn2cc[nH+]c2C(C)C)C1=O ZINC000748571278 579326765 /nfs/dbraw/zinc/32/67/65/579326765.db2.gz XOHXUHBZZVRNQN-UHFFFAOYSA-N 1 1 347.375 0.100 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)CC[NH+]2CCOCC2)c1 ZINC000750866942 579359996 /nfs/dbraw/zinc/35/99/96/579359996.db2.gz JXRJBNPLICYGIS-UHFFFAOYSA-N 1 1 329.400 0.787 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000751528897 579370709 /nfs/dbraw/zinc/37/07/09/579370709.db2.gz MJETURPWHBZJBT-GFCCVEGCSA-N 1 1 333.461 0.704 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000751528897 579370711 /nfs/dbraw/zinc/37/07/11/579370711.db2.gz MJETURPWHBZJBT-GFCCVEGCSA-N 1 1 333.461 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000730097551 578303207 /nfs/dbraw/zinc/30/32/07/578303207.db2.gz AEAGPOCUXRHLFR-ZBFHGGJFSA-N 1 1 331.391 0.684 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000730097551 578303209 /nfs/dbraw/zinc/30/32/09/578303209.db2.gz AEAGPOCUXRHLFR-ZBFHGGJFSA-N 1 1 331.391 0.684 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000730105100 578303443 /nfs/dbraw/zinc/30/34/43/578303443.db2.gz BOYZYVGBNPSJHJ-HIFRSBDPSA-N 1 1 346.383 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000730105100 578303444 /nfs/dbraw/zinc/30/34/44/578303444.db2.gz BOYZYVGBNPSJHJ-HIFRSBDPSA-N 1 1 346.383 0.369 20 30 ECEDMO C#CCOc1ccc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000731112683 578310446 /nfs/dbraw/zinc/31/04/46/578310446.db2.gz SHGOMFSZPDVPSQ-UHFFFAOYSA-N 1 1 344.415 0.984 20 30 ECEDMO CC[N@@H+](CCNC(=O)NCCNC(=O)C1N=CC=CC1=O)C1CC1 ZINC000732459804 578325759 /nfs/dbraw/zinc/32/57/59/578325759.db2.gz RVOADOHQXQWPDA-PFONDFGASA-N 1 1 335.408 0.296 20 30 ECEDMO C[NH+]1CCN(CCCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000732676923 578328683 /nfs/dbraw/zinc/32/86/83/578328683.db2.gz PMEBHWCZUGDWGQ-QGZVFWFLSA-N 1 1 348.495 0.396 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000736209213 578415462 /nfs/dbraw/zinc/41/54/62/578415462.db2.gz ZMVBTOLFNAEDGA-CVEARBPZSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000736209213 578415463 /nfs/dbraw/zinc/41/54/63/578415463.db2.gz ZMVBTOLFNAEDGA-CVEARBPZSA-N 1 1 327.432 0.968 20 30 ECEDMO C(=NNCCC[NH+]1CCOCC1)c1ncc(C2OCCO2)s1 ZINC000799486646 578666092 /nfs/dbraw/zinc/66/60/92/578666092.db2.gz JQNDFTBUYQIXHA-UHFFFAOYSA-N 1 1 326.422 0.834 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(C#N)cn1 ZINC000780658092 578698744 /nfs/dbraw/zinc/69/87/44/578698744.db2.gz GICNGFXDTSYLHL-CYBMUJFWSA-N 1 1 331.420 0.940 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000783307494 578741015 /nfs/dbraw/zinc/74/10/15/578741015.db2.gz LGOZDEWBFVXZME-KBPBESRZSA-N 1 1 331.482 0.959 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000783307501 578741118 /nfs/dbraw/zinc/74/11/18/578741118.db2.gz LGOZDEWBFVXZME-ZIAGYGMSSA-N 1 1 331.482 0.959 20 30 ECEDMO C#CCOCCNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000784175235 578749444 /nfs/dbraw/zinc/74/94/44/578749444.db2.gz RXEMYVLDOWZDDR-UHFFFAOYSA-N 1 1 331.416 0.968 20 30 ECEDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCC2)cn1 ZINC000784347151 578750887 /nfs/dbraw/zinc/75/08/87/578750887.db2.gz QFAWZEBTGPMQTP-LSDHHAIUSA-N 1 1 331.420 0.870 20 30 ECEDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)cn1 ZINC000784347151 578750888 /nfs/dbraw/zinc/75/08/88/578750888.db2.gz QFAWZEBTGPMQTP-LSDHHAIUSA-N 1 1 331.420 0.870 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000784616757 578754878 /nfs/dbraw/zinc/75/48/78/578754878.db2.gz ZKSCLJQENUGHDX-XJKSGUPXSA-N 1 1 345.399 0.687 20 30 ECEDMO C[C@@H](O)C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@H](C)CO ZINC000785533369 578770648 /nfs/dbraw/zinc/77/06/48/578770648.db2.gz DNBPULXNGCCKGW-CHWSQXEVSA-N 1 1 330.388 0.484 20 30 ECEDMO C[C@@H](O)C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@H](C)CO ZINC000785533369 578770649 /nfs/dbraw/zinc/77/06/49/578770649.db2.gz DNBPULXNGCCKGW-CHWSQXEVSA-N 1 1 330.388 0.484 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000787347131 578805465 /nfs/dbraw/zinc/80/54/65/578805465.db2.gz WHRSJYUYKCABPS-HOTGVXAUSA-N 1 1 342.399 0.154 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000787347134 578805497 /nfs/dbraw/zinc/80/54/97/578805497.db2.gz WHRSJYUYKCABPS-JKSUJKDBSA-N 1 1 342.399 0.154 20 30 ECEDMO C[C@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)[N@@H+](C)C1CC1 ZINC000787780375 578817146 /nfs/dbraw/zinc/81/71/46/578817146.db2.gz WYFMSDSAZHECPQ-GFCCVEGCSA-N 1 1 344.419 0.080 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000790266469 578870921 /nfs/dbraw/zinc/87/09/21/578870921.db2.gz YTFWRUQOYNKGNS-GHMZBOCLSA-N 1 1 330.226 0.754 20 30 ECEDMO C[C@H](NC(=O)NCCNc1ccc(C#N)cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000769974286 579156928 /nfs/dbraw/zinc/15/69/28/579156928.db2.gz UJPTYIKENIOZCD-JSGCOSHPSA-N 1 1 332.408 0.383 20 30 ECEDMO C[C@H](NC(=O)NCCNc1ccc(C#N)cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000769974286 579156930 /nfs/dbraw/zinc/15/69/30/579156930.db2.gz UJPTYIKENIOZCD-JSGCOSHPSA-N 1 1 332.408 0.383 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000770307824 579164318 /nfs/dbraw/zinc/16/43/18/579164318.db2.gz ZTICTGQWNPSCCR-BBRMVZONSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000770307824 579164319 /nfs/dbraw/zinc/16/43/19/579164319.db2.gz ZTICTGQWNPSCCR-BBRMVZONSA-N 1 1 345.399 0.472 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)NCCOc1ccc2c(c1)OCO2)[C@H]1CCCO1 ZINC000775790854 579271204 /nfs/dbraw/zinc/27/12/04/579271204.db2.gz JQQANLLCSIEXOD-HUUCEWRRSA-N 1 1 346.383 0.681 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)[C@@H]1CCCO1 ZINC000775791595 579271381 /nfs/dbraw/zinc/27/13/81/579271381.db2.gz MXIHQMLFFGFELG-SJORKVTESA-N 1 1 331.416 0.694 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)[C@H]1CCCO1 ZINC000775794369 579271410 /nfs/dbraw/zinc/27/14/10/579271410.db2.gz QGVJFHUQVQEQNI-DLBZAZTESA-N 1 1 343.427 0.661 20 30 ECEDMO C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCCO1 ZINC000776225237 579277938 /nfs/dbraw/zinc/27/79/38/579277938.db2.gz AKHSDZMIVOXMMZ-SQNIBIBYSA-N 1 1 348.491 0.977 20 30 ECEDMO C#C[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000776225237 579277939 /nfs/dbraw/zinc/27/79/39/579277939.db2.gz AKHSDZMIVOXMMZ-SQNIBIBYSA-N 1 1 348.491 0.977 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)Nc2nnc(-c3ccco3)o2)CC1 ZINC000776594484 579285582 /nfs/dbraw/zinc/28/55/82/579285582.db2.gz IYAKAFVHHRNUIR-UHFFFAOYSA-N 1 1 329.360 0.909 20 30 ECEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000776593848 579285664 /nfs/dbraw/zinc/28/56/64/579285664.db2.gz NMOVRAOCLKQNCY-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NCCc2ccccc2OC)CC1 ZINC000776594376 579285676 /nfs/dbraw/zinc/28/56/76/579285676.db2.gz DSPONTSNRNGMSD-UHFFFAOYSA-N 1 1 329.444 0.995 20 30 ECEDMO CC(=NN1CC[NH+](C)CC1)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000764650434 579579186 /nfs/dbraw/zinc/57/91/86/579579186.db2.gz XIIRCIBTNGTMIQ-UHFFFAOYSA-N 1 1 330.841 0.959 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000764999651 579581703 /nfs/dbraw/zinc/58/17/03/579581703.db2.gz LAVJUEFYVRBIMP-GOSISDBHSA-N 1 1 326.444 0.723 20 30 ECEDMO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)C[NH+]1CCOCC1 ZINC000742408744 579786950 /nfs/dbraw/zinc/78/69/50/579786950.db2.gz VIQVOSHFUCKPME-LBPRGKRZSA-N 1 1 338.433 0.586 20 30 ECEDMO CNC(=O)[C@@H](C)C[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000747966570 579855703 /nfs/dbraw/zinc/85/57/03/579855703.db2.gz JWOFRFSWWYXGIF-LBPRGKRZSA-N 1 1 327.388 0.734 20 30 ECEDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000747966570 579855704 /nfs/dbraw/zinc/85/57/04/579855704.db2.gz JWOFRFSWWYXGIF-LBPRGKRZSA-N 1 1 327.388 0.734 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000835136443 588904796 /nfs/dbraw/zinc/90/47/96/588904796.db2.gz QHXQGFBGAJDLKK-CVEARBPZSA-N 1 1 342.399 0.785 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000837859363 588963308 /nfs/dbraw/zinc/96/33/08/588963308.db2.gz NIOIGTLBKFCCIN-OAHLLOKOSA-N 1 1 346.435 0.511 20 30 ECEDMO C#C[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000890649286 586056867 /nfs/dbraw/zinc/05/68/67/586056867.db2.gz BUJJFLSRBLRGES-SJORKVTESA-N 1 1 347.459 0.714 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)n(CCC#N)n1 ZINC000891006933 586075293 /nfs/dbraw/zinc/07/52/93/586075293.db2.gz BMYAMJGTAQMDQU-UHFFFAOYSA-N 1 1 332.408 0.596 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)n(CCC#N)n1 ZINC000891006933 586075295 /nfs/dbraw/zinc/07/52/95/586075295.db2.gz BMYAMJGTAQMDQU-UHFFFAOYSA-N 1 1 332.408 0.596 20 30 ECEDMO CN(C)CC[NH+]1CCC(NC(=O)NCC#C[C@H]2CCCCO2)CC1 ZINC000891805998 586197976 /nfs/dbraw/zinc/19/79/76/586197976.db2.gz TXXHSQNVTIBAHE-QGZVFWFLSA-N 1 1 336.480 0.884 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000147724585 586200497 /nfs/dbraw/zinc/20/04/97/586200497.db2.gz NDUYXZQWFUSPHW-LBPRGKRZSA-N 1 1 328.415 0.109 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)CC1 ZINC000895883659 586210685 /nfs/dbraw/zinc/21/06/85/586210685.db2.gz DELREZMJYPMSCC-CVEARBPZSA-N 1 1 336.432 0.855 20 30 ECEDMO N#CCCN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000892132345 586223727 /nfs/dbraw/zinc/22/37/27/586223727.db2.gz GJDWWINCBUKBBF-UHFFFAOYSA-N 1 1 348.495 0.444 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 ZINC000896242858 586230284 /nfs/dbraw/zinc/23/02/84/586230284.db2.gz XFKJYETWLNIRSH-UHFFFAOYSA-N 1 1 341.415 0.683 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cn(C)nc1Br ZINC000867312152 589042173 /nfs/dbraw/zinc/04/21/73/589042173.db2.gz YCEHQQMOZWWPJP-UHFFFAOYSA-N 1 1 349.254 0.416 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000899116114 586471232 /nfs/dbraw/zinc/47/12/32/586471232.db2.gz DQYMUCUDTJTZFI-HOTGVXAUSA-N 1 1 347.459 0.306 20 30 ECEDMO C[N@@H+](CCO)CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000899740166 586504654 /nfs/dbraw/zinc/50/46/54/586504654.db2.gz FPFMRKAJFPZJBS-UHFFFAOYSA-N 1 1 340.221 0.904 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1Cc2cc(C(=O)OCC)nn2C[C@@H]1C ZINC000899809439 586507483 /nfs/dbraw/zinc/50/74/83/586507483.db2.gz HQMUEQIUVBOMMR-BBRMVZONSA-N 1 1 344.415 0.888 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1Cc2cc(C(=O)OCC)nn2C[C@@H]1C ZINC000899809439 586507484 /nfs/dbraw/zinc/50/74/84/586507484.db2.gz HQMUEQIUVBOMMR-BBRMVZONSA-N 1 1 344.415 0.888 20 30 ECEDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cccc(C#CCO)c1 ZINC000900647916 586651443 /nfs/dbraw/zinc/65/14/43/586651443.db2.gz UNQBYLUHTGHYPB-UHFFFAOYSA-N 1 1 329.444 0.740 20 30 ECEDMO C#CCN1C(=O)C[C@@H]([N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)C1=O ZINC000843270467 589059143 /nfs/dbraw/zinc/05/91/43/589059143.db2.gz VJCKTJOESTYIHH-JKSUJKDBSA-N 1 1 339.395 0.385 20 30 ECEDMO O=C(c1cccc(C#CCO)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000900841897 586669486 /nfs/dbraw/zinc/66/94/86/586669486.db2.gz DXBHDCYRQJDFTE-KRWDZBQOSA-N 1 1 328.412 0.825 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1nccn1C1CC1 ZINC000901140205 586697731 /nfs/dbraw/zinc/69/77/31/586697731.db2.gz ZDGULQPJLVQFCA-UHFFFAOYSA-N 1 1 336.465 0.738 20 30 ECEDMO C=C(CC[NH+](C)C)C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC000901297975 586706941 /nfs/dbraw/zinc/70/69/41/586706941.db2.gz IDMOEXFVGKKYJR-UHFFFAOYSA-N 1 1 325.453 0.180 20 30 ECEDMO CCO[C@H](CNCCS(=O)(=O)c1cccc(C#N)c1)C[NH+](C)C ZINC000905581763 586903586 /nfs/dbraw/zinc/90/35/86/586903586.db2.gz WVIMJRUOSRAAQK-OAHLLOKOSA-N 1 1 339.461 0.888 20 30 ECEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905890095 586920181 /nfs/dbraw/zinc/92/01/81/586920181.db2.gz QNXAAKBEPSQOPU-IPMKNSEASA-N 1 1 345.443 0.771 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ccncc1 ZINC000805815654 586940738 /nfs/dbraw/zinc/94/07/38/586940738.db2.gz SCRWLLFVILDWLQ-CWRNSKLLSA-N 1 1 346.431 0.650 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccncc1 ZINC000805815654 586940740 /nfs/dbraw/zinc/94/07/40/586940740.db2.gz SCRWLLFVILDWLQ-CWRNSKLLSA-N 1 1 346.431 0.650 20 30 ECEDMO C#CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000906376121 586944638 /nfs/dbraw/zinc/94/46/38/586944638.db2.gz KPJFQDBRQWFTSY-CABCVRRESA-N 1 1 326.462 0.757 20 30 ECEDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000907383903 587039270 /nfs/dbraw/zinc/03/92/70/587039270.db2.gz SELFAYAYOZKMAZ-GOSISDBHSA-N 1 1 343.431 0.449 20 30 ECEDMO C=CCN(C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C(C)C ZINC000804066710 587078035 /nfs/dbraw/zinc/07/80/35/587078035.db2.gz CJMHAOKBDRDTDA-AWEZNQCLSA-N 1 1 338.452 0.113 20 30 ECEDMO C#CCNc1nc(NCC(C)(C)CO)nc(NCC(C)(C)CO)[nH+]1 ZINC000804563118 587088174 /nfs/dbraw/zinc/08/81/74/587088174.db2.gz RQFOMDLBHISUKB-UHFFFAOYSA-N 1 1 336.440 0.778 20 30 ECEDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CC(=O)NCCC#N)CC1 ZINC000808776389 587161336 /nfs/dbraw/zinc/16/13/36/587161336.db2.gz UTQYAZXQYBHNCI-CYBMUJFWSA-N 1 1 344.481 0.398 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@H]1CCCO1 ZINC000809305094 587173486 /nfs/dbraw/zinc/17/34/86/587173486.db2.gz XHQJMOWPBWZWFO-IXDOHACOSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000815861377 587300714 /nfs/dbraw/zinc/30/07/14/587300714.db2.gz FQUPATIOHSYZRH-UHFFFAOYSA-N 1 1 345.399 0.791 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000819550406 587482291 /nfs/dbraw/zinc/48/22/91/587482291.db2.gz ZGNXZXVPNFWGRP-KGLIPLIRSA-N 1 1 339.436 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000819550406 587482292 /nfs/dbraw/zinc/48/22/92/587482292.db2.gz ZGNXZXVPNFWGRP-KGLIPLIRSA-N 1 1 339.436 0.428 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C1CCOCC1 ZINC000823167763 587707437 /nfs/dbraw/zinc/70/74/37/587707437.db2.gz HHYFBJLHSMQGCZ-ZBFHGGJFSA-N 1 1 337.464 0.901 20 30 ECEDMO C#C[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CCOCC1 ZINC000823182507 587708099 /nfs/dbraw/zinc/70/80/99/587708099.db2.gz VZJUHQBQNMLMCO-KRWDZBQOSA-N 1 1 337.464 0.903 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823844698 587745601 /nfs/dbraw/zinc/74/56/01/587745601.db2.gz GYQJKWMEANPQMJ-OAHLLOKOSA-N 1 1 340.387 0.068 20 30 ECEDMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1C#N ZINC000825435706 587940456 /nfs/dbraw/zinc/94/04/56/587940456.db2.gz HVJNGRHMUYKDRB-HNNXBMFYSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000826051248 587985651 /nfs/dbraw/zinc/98/56/51/587985651.db2.gz BQOJXXJRHILEOT-HNNXBMFYSA-N 1 1 334.464 0.984 20 30 ECEDMO C#CCCCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000828391513 588176112 /nfs/dbraw/zinc/17/61/12/588176112.db2.gz ROPQYOGSDGDSNH-HUUCEWRRSA-N 1 1 333.432 0.276 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCO1 ZINC000829215932 588319055 /nfs/dbraw/zinc/31/90/55/588319055.db2.gz ZRUYBNRVEGDMCL-XIRDDKMYSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)C1 ZINC000829581573 588331156 /nfs/dbraw/zinc/33/11/56/588331156.db2.gz AJNDXYBYQHMSFY-CZUORRHYSA-N 1 1 329.404 0.435 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)C1 ZINC000829581573 588331158 /nfs/dbraw/zinc/33/11/58/588331158.db2.gz AJNDXYBYQHMSFY-CZUORRHYSA-N 1 1 329.404 0.435 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@@H](CCO)c2ccccc2F)CC1 ZINC000830351365 588369477 /nfs/dbraw/zinc/36/94/77/588369477.db2.gz QKUAXOFSSSMWDR-KRWDZBQOSA-N 1 1 333.407 0.616 20 30 ECEDMO CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370767 589109377 /nfs/dbraw/zinc/10/93/77/589109377.db2.gz UAUAFWSOHTXIEK-QGZVFWFLSA-N 1 1 341.415 0.916 20 30 ECEDMO CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370767 589109378 /nfs/dbraw/zinc/10/93/78/589109378.db2.gz UAUAFWSOHTXIEK-QGZVFWFLSA-N 1 1 341.415 0.916 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 ZINC000845003956 589127949 /nfs/dbraw/zinc/12/79/49/589127949.db2.gz QJJJIBLHCWTOFL-IAGOWNOFSA-N 1 1 346.431 0.954 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(=O)n(C)c1=O ZINC000846007611 589181411 /nfs/dbraw/zinc/18/14/11/589181411.db2.gz REJNHUMLCJBIBG-OAHLLOKOSA-N 1 1 328.372 0.121 20 30 ECEDMO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000846334968 589196908 /nfs/dbraw/zinc/19/69/08/589196908.db2.gz GHOVVCOOSPGCTB-DLBZAZTESA-N 1 1 328.416 0.440 20 30 ECEDMO C[C@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000846339175 589197244 /nfs/dbraw/zinc/19/72/44/589197244.db2.gz XRTFVLIBHINFEU-PBHICJAKSA-N 1 1 330.432 0.686 20 30 ECEDMO O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000848138424 589280097 /nfs/dbraw/zinc/28/00/97/589280097.db2.gz MQWHCKPDQVWLQN-CABCVRRESA-N 1 1 332.404 0.790 20 30 ECEDMO C[NH+]=C(NCCN1CCOCC1)NC[C@H]1N(C)CCCC1(C)C ZINC000849111375 589320856 /nfs/dbraw/zinc/32/08/56/589320856.db2.gz ZAYGOAOHFWIJHV-OAHLLOKOSA-N 1 1 325.501 0.604 20 30 ECEDMO C#C[C@](C)(CC)[NH2+]CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000852101650 589443532 /nfs/dbraw/zinc/44/35/32/589443532.db2.gz SUWQPQWJGSWLTQ-QGZVFWFLSA-N 1 1 334.420 0.359 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000852336378 589491834 /nfs/dbraw/zinc/49/18/34/589491834.db2.gz JROKNKADUXBNRP-BMFZPTHFSA-N 1 1 339.395 0.241 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000852749147 589510295 /nfs/dbraw/zinc/51/02/95/589510295.db2.gz QENASDAXRHEBSF-UHFFFAOYSA-N 1 1 331.420 0.097 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000852749147 589510297 /nfs/dbraw/zinc/51/02/97/589510297.db2.gz QENASDAXRHEBSF-UHFFFAOYSA-N 1 1 331.420 0.097 20 30 ECEDMO CCC[N@H+]1CC[C@@H](NC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000853713801 589556436 /nfs/dbraw/zinc/55/64/36/589556436.db2.gz WLEUJHIWOQMURK-DKASORFFSA-N 1 1 335.408 0.296 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CON=C[C@@H]2CCCO2)C1 ZINC000853753328 589557508 /nfs/dbraw/zinc/55/75/08/589557508.db2.gz HPCCYZITKIRGAJ-GJZGRUSLSA-N 1 1 327.425 0.641 20 30 ECEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NO[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000113250140 589627122 /nfs/dbraw/zinc/62/71/22/589627122.db2.gz WEEYVLYUBBBQOV-TZMCWYRMSA-N 1 1 334.424 0.689 20 30 ECEDMO C[NH+]=C(NC[C@H](C1CC1)N(C)C)N1CCN(c2ncccn2)CC1 ZINC000114066796 589658536 /nfs/dbraw/zinc/65/85/36/589658536.db2.gz LXUVLXMJNQSHSX-OAHLLOKOSA-N 1 1 331.468 0.514 20 30 ECEDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(CC(=O)NCC#N)C2)ccn1 ZINC000856592507 589667892 /nfs/dbraw/zinc/66/78/92/589667892.db2.gz UXNMAOGXBDEBRK-INIZCTEOSA-N 1 1 331.420 0.626 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]3CCC[C@@H]32)CC1 ZINC000859951112 589730927 /nfs/dbraw/zinc/73/09/27/589730927.db2.gz JOTYHHIUAIKEHO-ULQDDVLXSA-N 1 1 347.459 0.427 20 30 ECEDMO CC(C)[N@H+](CCS(C)(=O)=O)C[C@H](O)CC1(C#N)CCOCC1 ZINC000859206587 589807256 /nfs/dbraw/zinc/80/72/56/589807256.db2.gz WHHMTXYMQZEWIE-CQSZACIVSA-N 1 1 332.466 0.813 20 30 ECEDMO CC(C)[N@@H+](CCS(C)(=O)=O)C[C@H](O)CC1(C#N)CCOCC1 ZINC000859206587 589807258 /nfs/dbraw/zinc/80/72/58/589807258.db2.gz WHHMTXYMQZEWIE-CQSZACIVSA-N 1 1 332.466 0.813 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000859348406 589824908 /nfs/dbraw/zinc/82/49/08/589824908.db2.gz ABRCBBVXJDOHEL-GJZGRUSLSA-N 1 1 331.372 0.824 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867810187 589847056 /nfs/dbraw/zinc/84/70/56/589847056.db2.gz YHCFPAAFBXQGCA-KGLIPLIRSA-N 1 1 330.454 0.119 20 30 ECEDMO CN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000867942314 589864403 /nfs/dbraw/zinc/86/44/03/589864403.db2.gz PGRNTIOUSIYDAL-DZGCQCFKSA-N 1 1 333.413 0.391 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C ZINC000861837408 589897216 /nfs/dbraw/zinc/89/72/16/589897216.db2.gz CLORNSAXFNSIEM-UONOGXRCSA-N 1 1 339.436 0.740 20 30 ECEDMO C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000871050443 590047055 /nfs/dbraw/zinc/04/70/55/590047055.db2.gz LFUIWWZPQGZUMZ-ZIAGYGMSSA-N 1 1 332.452 0.844 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872286299 590111181 /nfs/dbraw/zinc/11/11/81/590111181.db2.gz CRJZHLVGXQXIMX-CQSZACIVSA-N 1 1 336.436 0.366 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCNC(=O)CC12CCOCC2 ZINC000872286299 590111183 /nfs/dbraw/zinc/11/11/83/590111183.db2.gz CRJZHLVGXQXIMX-CQSZACIVSA-N 1 1 336.436 0.366 20 30 ECEDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(C#N)c1 ZINC000872493651 590121173 /nfs/dbraw/zinc/12/11/73/590121173.db2.gz WFURNVORIGJGCA-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(C#N)c1 ZINC000872493651 590121174 /nfs/dbraw/zinc/12/11/74/590121174.db2.gz WFURNVORIGJGCA-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC)c(COC)c1 ZINC000873896142 590209585 /nfs/dbraw/zinc/20/95/85/590209585.db2.gz OSIXUYPLAYDCBW-UHFFFAOYSA-N 1 1 347.415 0.851 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)nn1CCC#N ZINC000874175564 590224720 /nfs/dbraw/zinc/22/47/20/590224720.db2.gz XBMKBOZTJQEZJC-ZIAGYGMSSA-N 1 1 344.419 0.596 20 30 ECEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(CO)(CO)CC3)C2=O)cc1 ZINC000879970690 590356650 /nfs/dbraw/zinc/35/66/50/590356650.db2.gz YAINNSUICKZHLT-MRXNPFEDSA-N 1 1 329.400 0.730 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879974166 590357581 /nfs/dbraw/zinc/35/75/81/590357581.db2.gz IRILKRDHWAMZFX-JJXSEGSLSA-N 1 1 337.464 0.809 20 30 ECEDMO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000876512315 590384142 /nfs/dbraw/zinc/38/41/42/590384142.db2.gz LKAOTQGKZHSNHT-STQMWFEESA-N 1 1 328.844 0.127 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](CCO)Cc2ccc(OC)cc2)CC1 ZINC000880570792 590406502 /nfs/dbraw/zinc/40/65/02/590406502.db2.gz FKXGPZWIXXIVES-UHFFFAOYSA-N 1 1 345.443 0.267 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CCO)Cc2ccc(OC)cc2)CC1 ZINC000880570792 590406505 /nfs/dbraw/zinc/40/65/05/590406505.db2.gz FKXGPZWIXXIVES-UHFFFAOYSA-N 1 1 345.443 0.267 20 30 ECEDMO C[NH+]1CCN(CCNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876780238 590413815 /nfs/dbraw/zinc/41/38/15/590413815.db2.gz DCNPFMAWQMMPTA-KRWDZBQOSA-N 1 1 327.432 0.109 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCC[N@H+]1CCCOCC1 ZINC000876891506 590423397 /nfs/dbraw/zinc/42/33/97/590423397.db2.gz ZOJVMJJLDWDOIU-KRWDZBQOSA-N 1 1 328.416 0.584 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)n1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881116872 590437173 /nfs/dbraw/zinc/43/71/73/590437173.db2.gz HAYSNCNYOIWOBM-CQSZACIVSA-N 1 1 334.424 0.476 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)C[C@@H]1COc2ccccc2O1 ZINC000882222646 590528481 /nfs/dbraw/zinc/52/84/81/590528481.db2.gz WGGTUBOBRVELJJ-AWEZNQCLSA-N 1 1 338.429 0.701 20 30 ECEDMO CNC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000879338177 590580448 /nfs/dbraw/zinc/58/04/48/590580448.db2.gz NQUYBWGGKSYODA-GJZGRUSLSA-N 1 1 338.452 0.841 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883713564 590654611 /nfs/dbraw/zinc/65/46/11/590654611.db2.gz QQJNRQYMOWIIQD-QGZVFWFLSA-N 1 1 336.480 0.884 20 30 ECEDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000883896604 590679141 /nfs/dbraw/zinc/67/91/41/590679141.db2.gz SJANPRZBONQHHF-KGLIPLIRSA-N 1 1 343.435 0.663 20 30 ECEDMO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885320378 590717063 /nfs/dbraw/zinc/71/70/63/590717063.db2.gz LFMYGVCRKPUYCY-NFAWXSAZSA-N 1 1 325.434 0.258 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885320378 590717064 /nfs/dbraw/zinc/71/70/64/590717064.db2.gz LFMYGVCRKPUYCY-NFAWXSAZSA-N 1 1 325.434 0.258 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000884240043 590787129 /nfs/dbraw/zinc/78/71/29/590787129.db2.gz IRGWDELYBUZEIG-CQSZACIVSA-N 1 1 327.450 0.208 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000884240043 590787132 /nfs/dbraw/zinc/78/71/32/590787132.db2.gz IRGWDELYBUZEIG-CQSZACIVSA-N 1 1 327.450 0.208 20 30 ECEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CCC1 ZINC000886179099 590802204 /nfs/dbraw/zinc/80/22/04/590802204.db2.gz MWRQLTIGEZEYPJ-GJZGRUSLSA-N 1 1 341.477 0.931 20 30 ECEDMO N#C[C@]12CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@@H]1CS(=O)(=O)C2 ZINC000886211963 590815888 /nfs/dbraw/zinc/81/58/88/590815888.db2.gz DGHIALIKMOBGHZ-IXYNUQLISA-N 1 1 337.445 0.400 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000886362603 590835086 /nfs/dbraw/zinc/83/50/86/590835086.db2.gz FKXFDCINMCNUMC-OAHLLOKOSA-N 1 1 329.400 0.512 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCOC[C@H]2c2ccnn2C)C1 ZINC000890362272 591151132 /nfs/dbraw/zinc/15/11/32/591151132.db2.gz BEZIOXDQHYFIQW-HOCLYGCPSA-N 1 1 331.420 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@H]2c2ccnn2C)C1 ZINC000890362272 591151134 /nfs/dbraw/zinc/15/11/34/591151134.db2.gz BEZIOXDQHYFIQW-HOCLYGCPSA-N 1 1 331.420 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(N3CCCC3=O)CC2)C1 ZINC000890371886 591154847 /nfs/dbraw/zinc/15/48/47/591154847.db2.gz CWKRCMCSWLSSIV-OAHLLOKOSA-N 1 1 332.448 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(N3CCCC3=O)CC2)C1 ZINC000890371886 591154850 /nfs/dbraw/zinc/15/48/50/591154850.db2.gz CWKRCMCSWLSSIV-OAHLLOKOSA-N 1 1 332.448 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000890377241 591156024 /nfs/dbraw/zinc/15/60/24/591156024.db2.gz SOTLEPFEQDEKOC-CVEARBPZSA-N 1 1 348.447 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000890377241 591156028 /nfs/dbraw/zinc/15/60/28/591156028.db2.gz SOTLEPFEQDEKOC-CVEARBPZSA-N 1 1 348.447 0.117 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2CC1 ZINC000946628457 611373761 /nfs/dbraw/zinc/37/37/61/611373761.db2.gz RJIAYXWMMLJGOJ-BBWFWOEESA-N 1 1 346.475 0.000 20 30 ECEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000929988854 611375846 /nfs/dbraw/zinc/37/58/46/611375846.db2.gz XKRVWYIEMJAFEO-QZTJIDSGSA-N 1 1 345.443 0.771 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C)c(C#N)c2)C1 ZINC000930008726 611379607 /nfs/dbraw/zinc/37/96/07/611379607.db2.gz FZIRHXAVOFGRAA-MRXNPFEDSA-N 1 1 344.415 0.320 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)CC[C@@H]2C1 ZINC000946697524 611419073 /nfs/dbraw/zinc/41/90/73/611419073.db2.gz VNMIUOXKCLIXGZ-XWTMOSNGSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C ZINC000948081857 611415320 /nfs/dbraw/zinc/41/53/20/611415320.db2.gz ROGCKFNPCSUCID-BMFZPTHFSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C ZINC000948081857 611415321 /nfs/dbraw/zinc/41/53/21/611415321.db2.gz ROGCKFNPCSUCID-BMFZPTHFSA-N 1 1 343.431 0.013 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)cc1 ZINC000946707024 611428056 /nfs/dbraw/zinc/42/80/56/611428056.db2.gz AEVSWGSHRZLYGS-CALCHBBNSA-N 1 1 325.412 0.937 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC[C@@H]2C1 ZINC000946714485 611433903 /nfs/dbraw/zinc/43/39/03/611433903.db2.gz XVAALYNLKNKDNG-MJBXVCDLSA-N 1 1 340.855 0.933 20 30 ECEDMO C=C(Cl)C[C@H]1NC(=O)N(C2CC[NH+](CC(=O)NC)CC2)C1=O ZINC000924891948 611438439 /nfs/dbraw/zinc/43/84/39/611438439.db2.gz STFOESMDDYOWOV-LLVKDONJSA-N 1 1 328.800 0.260 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)C[C@]3(O)CCOC3)C2)nc1 ZINC000930542929 611441785 /nfs/dbraw/zinc/44/17/85/611441785.db2.gz ZCEGEZHDWIOKFF-ZMSDIMECSA-N 1 1 333.388 0.309 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3cnn(C)c3)CC[C@@H]2C1 ZINC000946743383 611447479 /nfs/dbraw/zinc/44/74/79/611447479.db2.gz RRMQNDHIVWUPLJ-IYBDPMFKSA-N 1 1 330.432 0.993 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1C ZINC000948174548 611457153 /nfs/dbraw/zinc/45/71/53/611457153.db2.gz AVDSGOPMROSUEQ-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1C ZINC000948174548 611457155 /nfs/dbraw/zinc/45/71/55/611457155.db2.gz AVDSGOPMROSUEQ-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000930768809 611462559 /nfs/dbraw/zinc/46/25/59/611462559.db2.gz KAKIYBDZTBMJCP-CABCVRRESA-N 1 1 337.464 0.932 20 30 ECEDMO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000946778567 611471328 /nfs/dbraw/zinc/47/13/28/611471328.db2.gz TWAOSGYHNZYKNE-HZPDHXFCSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930991686 611494172 /nfs/dbraw/zinc/49/41/72/611494172.db2.gz GNGMSFLXZPSEGG-KGLIPLIRSA-N 1 1 341.477 0.391 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930991686 611494175 /nfs/dbraw/zinc/49/41/75/611494175.db2.gz GNGMSFLXZPSEGG-KGLIPLIRSA-N 1 1 341.477 0.391 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947370431 611501942 /nfs/dbraw/zinc/50/19/42/611501942.db2.gz TYJNXWQWZOTMSZ-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC1 ZINC000931146042 611511211 /nfs/dbraw/zinc/51/12/11/611511211.db2.gz JEDKCBKFWUFJLP-UHFFFAOYSA-N 1 1 331.372 0.803 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000931146959 611511282 /nfs/dbraw/zinc/51/12/82/611511282.db2.gz SXLKVUKCMDODRE-UHFFFAOYSA-N 1 1 345.418 0.934 20 30 ECEDMO CC1(C)CC(=O)NCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000931202692 611518468 /nfs/dbraw/zinc/51/84/68/611518468.db2.gz IJHPMOKJYFKWII-UHFFFAOYSA-N 1 1 339.395 0.887 20 30 ECEDMO CC1(C)CC(=O)NCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000931202692 611518469 /nfs/dbraw/zinc/51/84/69/611518469.db2.gz IJHPMOKJYFKWII-UHFFFAOYSA-N 1 1 339.395 0.887 20 30 ECEDMO N#Cc1cc(F)ccc1N1CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000931548049 611548550 /nfs/dbraw/zinc/54/85/50/611548550.db2.gz GAXKMGYJHPZPAZ-FUHWJXTLSA-N 1 1 349.406 0.722 20 30 ECEDMO N#Cc1cc(F)ccc1N1CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000931548058 611548781 /nfs/dbraw/zinc/54/87/81/611548781.db2.gz GAXKMGYJHPZPAZ-WMZOPIPTSA-N 1 1 349.406 0.722 20 30 ECEDMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000931883187 611581222 /nfs/dbraw/zinc/58/12/22/611581222.db2.gz DONRJXYBRVLXMX-AWEZNQCLSA-N 1 1 341.415 0.286 20 30 ECEDMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000931883187 611581224 /nfs/dbraw/zinc/58/12/24/611581224.db2.gz DONRJXYBRVLXMX-AWEZNQCLSA-N 1 1 341.415 0.286 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000948440752 611597891 /nfs/dbraw/zinc/59/78/91/611597891.db2.gz FPYCVOOUNAGVLW-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000948444493 611599674 /nfs/dbraw/zinc/59/96/74/611599674.db2.gz BODYXZRANTUPQP-KBPBESRZSA-N 1 1 336.436 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C ZINC000947597825 611613271 /nfs/dbraw/zinc/61/32/71/611613271.db2.gz JCFGHNZMUWPWMB-WCQYABFASA-N 1 1 342.407 0.300 20 30 ECEDMO N#CCCN1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927631508 611620887 /nfs/dbraw/zinc/62/08/87/611620887.db2.gz TWFJQTBWJQJAMP-MRXNPFEDSA-N 1 1 335.452 0.481 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000947035967 611640517 /nfs/dbraw/zinc/64/05/17/611640517.db2.gz JVZDIDIXCPMASP-NWDGAFQWSA-N 1 1 345.432 0.776 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947370925 608603049 /nfs/dbraw/zinc/60/30/49/608603049.db2.gz WODFVDIKUVCZFP-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCO[C@H]2c2nnc(C)[nH]2)C1 ZINC000924038686 608611997 /nfs/dbraw/zinc/61/19/97/608611997.db2.gz VGEHGNKTUJFOEP-QLFBSQMISA-N 1 1 346.435 0.588 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCO[C@H]2c2nnc(C)[nH]2)C1 ZINC000924038686 608611998 /nfs/dbraw/zinc/61/19/98/608611998.db2.gz VGEHGNKTUJFOEP-QLFBSQMISA-N 1 1 346.435 0.588 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCO[C@H]2c2n[nH]c(C)n2)C1 ZINC000924038686 608611999 /nfs/dbraw/zinc/61/19/99/608611999.db2.gz VGEHGNKTUJFOEP-QLFBSQMISA-N 1 1 346.435 0.588 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCO[C@H]2c2n[nH]c(C)n2)C1 ZINC000924038686 608612000 /nfs/dbraw/zinc/61/20/00/608612000.db2.gz VGEHGNKTUJFOEP-QLFBSQMISA-N 1 1 346.435 0.588 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CCN1CCCC1=O)CCO2 ZINC000949319813 608633009 /nfs/dbraw/zinc/63/30/09/608633009.db2.gz CHXFNEQNBZXINZ-HNNXBMFYSA-N 1 1 348.447 0.462 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CCN1CCCC1=O)CCO2 ZINC000949319813 608633013 /nfs/dbraw/zinc/63/30/13/608633013.db2.gz CHXFNEQNBZXINZ-HNNXBMFYSA-N 1 1 348.447 0.462 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CC3OCCCO3)CC2)C1 ZINC000949348676 608647635 /nfs/dbraw/zinc/64/76/35/608647635.db2.gz JCVMXLQELWBZRK-UHFFFAOYSA-N 1 1 336.432 0.856 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC000949405619 608669687 /nfs/dbraw/zinc/66/96/87/608669687.db2.gz AVOYGHIYPVFYAS-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933099284 608712097 /nfs/dbraw/zinc/71/20/97/608712097.db2.gz BOQCZQLVDRYJQG-AWEZNQCLSA-N 1 1 334.445 0.822 20 30 ECEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933099284 608712101 /nfs/dbraw/zinc/71/21/01/608712101.db2.gz BOQCZQLVDRYJQG-AWEZNQCLSA-N 1 1 334.445 0.822 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C ZINC000947691725 611653466 /nfs/dbraw/zinc/65/34/66/611653466.db2.gz PKNRPBPQKUQXAQ-YUELXQCFSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C ZINC000947691725 611653468 /nfs/dbraw/zinc/65/34/68/611653468.db2.gz PKNRPBPQKUQXAQ-YUELXQCFSA-N 1 1 329.404 0.084 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)CCn3cnccc3=O)CC2)C1 ZINC000949504774 608718658 /nfs/dbraw/zinc/71/86/58/608718658.db2.gz UPTLMMSPAYGZDM-UHFFFAOYSA-N 1 1 346.431 0.513 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)CCn3cnccc3=O)CC2)C1 ZINC000949504774 608718661 /nfs/dbraw/zinc/71/86/61/608718661.db2.gz UPTLMMSPAYGZDM-UHFFFAOYSA-N 1 1 346.431 0.513 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C ZINC000947460353 608755812 /nfs/dbraw/zinc/75/58/12/608755812.db2.gz SRXYGNXNEZFDBG-DGCLKSJQSA-N 1 1 339.417 0.533 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@@H]1C ZINC000947795484 608772150 /nfs/dbraw/zinc/77/21/50/608772150.db2.gz DWIOZJBKCSEKIF-LSDHHAIUSA-N 1 1 348.451 0.724 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933964315 608786081 /nfs/dbraw/zinc/78/60/81/608786081.db2.gz NPEOYXLMBSZOIW-RYQLBKOJSA-N 1 1 332.400 0.982 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933964315 608786084 /nfs/dbraw/zinc/78/60/84/608786084.db2.gz NPEOYXLMBSZOIW-RYQLBKOJSA-N 1 1 332.400 0.982 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000937005566 608884913 /nfs/dbraw/zinc/88/49/13/608884913.db2.gz LGGSFGHXSPPEDW-GJZGRUSLSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000937005566 608884914 /nfs/dbraw/zinc/88/49/14/608884914.db2.gz LGGSFGHXSPPEDW-GJZGRUSLSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C[C@@H]1C ZINC000947547452 608884961 /nfs/dbraw/zinc/88/49/61/608884961.db2.gz RFFIRNLKYNQFBC-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCC(=O)OCC)C2)CC1 ZINC000162241535 608926577 /nfs/dbraw/zinc/92/65/77/608926577.db2.gz XEQKVDGUZYHWAG-KRWDZBQOSA-N 1 1 349.475 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cccn2C)C1 ZINC000936650274 608928078 /nfs/dbraw/zinc/92/80/78/608928078.db2.gz ZFQZAUIEBYFSSZ-RDJZCZTQSA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cccn2C)C1 ZINC000936650274 608928080 /nfs/dbraw/zinc/92/80/80/608928080.db2.gz ZFQZAUIEBYFSSZ-RDJZCZTQSA-N 1 1 342.443 0.796 20 30 ECEDMO CCCn1cc(C[N@@H+]2CCCN(C(=O)NCC#CCO)CC2)cn1 ZINC000923779593 608932132 /nfs/dbraw/zinc/93/21/32/608932132.db2.gz UBGZVLASJDYOEY-UHFFFAOYSA-N 1 1 333.436 0.506 20 30 ECEDMO CCCn1cc(C[N@H+]2CCCN(C(=O)NCC#CCO)CC2)cn1 ZINC000923779593 608932133 /nfs/dbraw/zinc/93/21/33/608932133.db2.gz UBGZVLASJDYOEY-UHFFFAOYSA-N 1 1 333.436 0.506 20 30 ECEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCC#CCO)c2)CCO1 ZINC000923781849 608940820 /nfs/dbraw/zinc/94/08/20/608940820.db2.gz DOQSRJRZHDBTOU-HNNXBMFYSA-N 1 1 331.416 0.702 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NCC#CCO)c2)CCO1 ZINC000923781849 608940821 /nfs/dbraw/zinc/94/08/21/608940821.db2.gz DOQSRJRZHDBTOU-HNNXBMFYSA-N 1 1 331.416 0.702 20 30 ECEDMO COc1ccc(C[N@H+]2CCCN(C(=O)NCC#CCO)CC2)cc1 ZINC000923787896 608968523 /nfs/dbraw/zinc/96/85/23/608968523.db2.gz FKGFBZBESFTPOB-UHFFFAOYSA-N 1 1 331.416 0.908 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC000936711382 608999606 /nfs/dbraw/zinc/99/96/06/608999606.db2.gz GSWOVOCJDRJBSK-HNNXBMFYSA-N 1 1 343.431 0.428 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937194735 609031234 /nfs/dbraw/zinc/03/12/34/609031234.db2.gz AHFYMJDZWORQEO-CABCVRRESA-N 1 1 329.404 0.653 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937194739 609031313 /nfs/dbraw/zinc/03/13/13/609031313.db2.gz AHFYMJDZWORQEO-LSDHHAIUSA-N 1 1 329.404 0.653 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937198296 609034962 /nfs/dbraw/zinc/03/49/62/609034962.db2.gz VHOQIJYSVWKXGA-OAHLLOKOSA-N 1 1 340.387 0.764 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C)c1 ZINC000947675618 609117797 /nfs/dbraw/zinc/11/77/97/609117797.db2.gz JUBCFQODSTWRSH-DOMZBBRYSA-N 1 1 342.399 0.061 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C)c1 ZINC000947675618 609117799 /nfs/dbraw/zinc/11/77/99/609117799.db2.gz JUBCFQODSTWRSH-DOMZBBRYSA-N 1 1 342.399 0.061 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2csc(=O)[nH]2)C1 ZINC000938173543 609486334 /nfs/dbraw/zinc/48/63/34/609486334.db2.gz UHEDGSPXZCTSST-AAEUAGOBSA-N 1 1 348.428 0.277 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2csc(=O)[nH]2)C1 ZINC000938173543 609486336 /nfs/dbraw/zinc/48/63/36/609486336.db2.gz UHEDGSPXZCTSST-AAEUAGOBSA-N 1 1 348.428 0.277 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000907999603 609640042 /nfs/dbraw/zinc/64/00/42/609640042.db2.gz AQSCELFMBVRDDZ-HZPDHXFCSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000907999603 609640044 /nfs/dbraw/zinc/64/00/44/609640044.db2.gz AQSCELFMBVRDDZ-HZPDHXFCSA-N 1 1 335.429 0.778 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000908345296 609651242 /nfs/dbraw/zinc/65/12/42/609651242.db2.gz CRVSVGXOPJXBLI-INIZCTEOSA-N 1 1 343.431 0.426 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1C[N@H+](C)CCN1C ZINC000919998985 609669476 /nfs/dbraw/zinc/66/94/76/609669476.db2.gz DKUVKZMCEZZXPH-FZMZJTMJSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1C[N@@H+](C)CCN1C ZINC000919998985 609669478 /nfs/dbraw/zinc/66/94/78/609669478.db2.gz DKUVKZMCEZZXPH-FZMZJTMJSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000920017280 609670706 /nfs/dbraw/zinc/67/07/06/609670706.db2.gz ATUCGUBUTMOBGS-CZUORRHYSA-N 1 1 336.461 0.612 20 30 ECEDMO C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000920017280 609670708 /nfs/dbraw/zinc/67/07/08/609670708.db2.gz ATUCGUBUTMOBGS-CZUORRHYSA-N 1 1 336.461 0.612 20 30 ECEDMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)C#N)C2 ZINC000920273337 609677531 /nfs/dbraw/zinc/67/75/31/609677531.db2.gz GUHKSOQWRQEQTR-IXYNUQLISA-N 1 1 343.493 0.935 20 30 ECEDMO CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCC#CC[NH+](C)C ZINC000913522313 609685574 /nfs/dbraw/zinc/68/55/74/609685574.db2.gz DGMKWPZXTMZETP-OAHLLOKOSA-N 1 1 333.436 0.164 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000921438185 609716603 /nfs/dbraw/zinc/71/66/03/609716603.db2.gz SSJJQGRGEYXJKO-UHFFFAOYSA-N 1 1 333.413 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 ZINC000923594793 609754286 /nfs/dbraw/zinc/75/42/86/609754286.db2.gz MVAUFOLECSGHOQ-ARFHVFGLSA-N 1 1 345.443 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 ZINC000923594793 609754289 /nfs/dbraw/zinc/75/42/89/609754289.db2.gz MVAUFOLECSGHOQ-ARFHVFGLSA-N 1 1 345.443 0.766 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000938291877 609762594 /nfs/dbraw/zinc/76/25/94/609762594.db2.gz YEHZKGKJIWTKCD-OLZOCXBDSA-N 1 1 329.404 0.639 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C[C@H]1C ZINC000948035624 609778744 /nfs/dbraw/zinc/77/87/44/609778744.db2.gz HJOZABUFOHZSPB-KGLIPLIRSA-N 1 1 326.404 0.659 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000948764843 611713582 /nfs/dbraw/zinc/71/35/82/611713582.db2.gz JTALODODNRFNJM-MRXNPFEDSA-N 1 1 343.431 0.690 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC000938485187 609812067 /nfs/dbraw/zinc/81/20/67/609812067.db2.gz ACWYVIFCJFURNA-GJZGRUSLSA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC000938485187 609812068 /nfs/dbraw/zinc/81/20/68/609812068.db2.gz ACWYVIFCJFURNA-GJZGRUSLSA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000914022471 609844955 /nfs/dbraw/zinc/84/49/55/609844955.db2.gz WIQFTEOQHZCYCV-GOSISDBHSA-N 1 1 344.459 0.617 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)C1 ZINC000914117492 609854855 /nfs/dbraw/zinc/85/48/55/609854855.db2.gz SRXQMSBAVWTKID-CQSZACIVSA-N 1 1 328.482 0.578 20 30 ECEDMO C#CC1(O)CN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000929889636 609917459 /nfs/dbraw/zinc/91/74/59/609917459.db2.gz SZACFEKGPPJTDH-UHFFFAOYSA-N 1 1 329.400 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000923597613 609927868 /nfs/dbraw/zinc/92/78/68/609927868.db2.gz PLNWRDWGNBNWOL-OAHLLOKOSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000923597613 609927869 /nfs/dbraw/zinc/92/78/69/609927869.db2.gz PLNWRDWGNBNWOL-OAHLLOKOSA-N 1 1 349.456 0.764 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000938704026 609952314 /nfs/dbraw/zinc/95/23/14/609952314.db2.gz ZFWORKLRYDLILX-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cn(C)nc1C ZINC000917535967 609976449 /nfs/dbraw/zinc/97/64/49/609976449.db2.gz OAYMJRRHJAYBCV-UHFFFAOYSA-N 1 1 338.481 0.639 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000917632886 609980309 /nfs/dbraw/zinc/98/03/09/609980309.db2.gz DRNSOOIAPHOAAH-GJZGRUSLSA-N 1 1 331.420 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccncn2)C1 ZINC000938756105 609981956 /nfs/dbraw/zinc/98/19/56/609981956.db2.gz HWCWFPSRFOEAAT-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccncn2)C1 ZINC000938756105 609981957 /nfs/dbraw/zinc/98/19/57/609981957.db2.gz HWCWFPSRFOEAAT-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccc[nH]2)C1 ZINC000938756325 609982064 /nfs/dbraw/zinc/98/20/64/609982064.db2.gz MXUWUBVEMSRJBE-HOCLYGCPSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccc[nH]2)C1 ZINC000938756325 609982065 /nfs/dbraw/zinc/98/20/65/609982065.db2.gz MXUWUBVEMSRJBE-HOCLYGCPSA-N 1 1 328.416 0.785 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)CC[N@H+]1C ZINC000925336997 609993176 /nfs/dbraw/zinc/99/31/76/609993176.db2.gz VLYXEZNELLEGRE-ZFWWWQNUSA-N 1 1 328.420 0.877 20 30 ECEDMO C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](CO)C1 ZINC000912736670 609994058 /nfs/dbraw/zinc/99/40/58/609994058.db2.gz AMULUIDCXLGGFB-GJZGRUSLSA-N 1 1 346.406 0.659 20 30 ECEDMO C[N@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](CO)C1 ZINC000912736670 609994061 /nfs/dbraw/zinc/99/40/61/609994061.db2.gz AMULUIDCXLGGFB-GJZGRUSLSA-N 1 1 346.406 0.659 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939934552 610171182 /nfs/dbraw/zinc/17/11/82/610171182.db2.gz UWNYBUSIVRWYPI-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cncc(F)c2)C1 ZINC000939987465 610183238 /nfs/dbraw/zinc/18/32/38/610183238.db2.gz ATFPQRGGDRILKB-CVEARBPZSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cncc(F)c2)C1 ZINC000939987465 610183239 /nfs/dbraw/zinc/18/32/39/610183239.db2.gz ATFPQRGGDRILKB-CVEARBPZSA-N 1 1 344.390 0.649 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000940098601 610208076 /nfs/dbraw/zinc/20/80/76/610208076.db2.gz BRTDPKJWNFXXTC-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC000939530379 610228789 /nfs/dbraw/zinc/22/87/89/610228789.db2.gz INQJCOMCJCENAV-OAGGEKHMSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC000939530379 610228791 /nfs/dbraw/zinc/22/87/91/610228791.db2.gz INQJCOMCJCENAV-OAGGEKHMSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(C)[nH]nc3Cl)CC2)C1 ZINC000941431303 610312199 /nfs/dbraw/zinc/31/21/99/610312199.db2.gz NXBAMADNFQQFFJ-UHFFFAOYSA-N 1 1 335.839 0.837 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cn3ccc(C(F)F)n3)CC2)C1 ZINC000941431631 610312524 /nfs/dbraw/zinc/31/25/24/610312524.db2.gz RCXUJYYEXUNOAQ-UHFFFAOYSA-N 1 1 339.390 0.835 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ncccc3NC(C)=O)CC2)C1 ZINC000941432011 610312621 /nfs/dbraw/zinc/31/26/21/610312621.db2.gz YLYLOCCUVDVZAT-UHFFFAOYSA-N 1 1 343.431 0.668 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCO[C@H]3C(C)C)CC2)C1 ZINC000941433423 610313522 /nfs/dbraw/zinc/31/35/22/610313522.db2.gz VAWDYNZAZTVYMX-ROUUACIJSA-N 1 1 333.476 0.899 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN(C2C[NH+](CCOC)C2)CC1 ZINC000941437675 610315433 /nfs/dbraw/zinc/31/54/33/610315433.db2.gz ATTREMDDKOWWGO-UHFFFAOYSA-N 1 1 332.448 0.763 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ncc(C)cc3OC)CC2)C1 ZINC000941437945 610315524 /nfs/dbraw/zinc/31/55/24/610315524.db2.gz HHBSKSAQUNHQQF-UHFFFAOYSA-N 1 1 342.443 0.864 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccnn3CCOC)CC2)C1 ZINC000941449282 610323807 /nfs/dbraw/zinc/32/38/07/610323807.db2.gz MBXNLGZMELZBPB-UHFFFAOYSA-N 1 1 347.463 0.548 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC000941479735 610334651 /nfs/dbraw/zinc/33/46/51/610334651.db2.gz SAIXDABXWCTURX-HNNXBMFYSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)C1 ZINC000941487310 610338832 /nfs/dbraw/zinc/33/88/32/610338832.db2.gz KAGNDWGSCVDUER-UHFFFAOYSA-N 1 1 332.404 0.012 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](OC)[C@@H]3CCOC3)CC2)C1 ZINC000941501356 610345359 /nfs/dbraw/zinc/34/53/59/610345359.db2.gz APPRXTCNCITBFT-WBVHZDCISA-N 1 1 337.464 0.442 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn4cccnc34)CC2)C1 ZINC000941512642 610352067 /nfs/dbraw/zinc/35/20/67/610352067.db2.gz RJYPRESKPYZQCE-UHFFFAOYSA-N 1 1 326.404 0.357 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2CN(CC#N)C2)CC1 ZINC000941596247 610390652 /nfs/dbraw/zinc/39/06/52/610390652.db2.gz YHJRZBQFBJDWOS-KRWDZBQOSA-N 1 1 333.480 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccns2)C1 ZINC000940845330 610396934 /nfs/dbraw/zinc/39/69/34/610396934.db2.gz FDCOMTRJYRPMEN-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccns2)C1 ZINC000940845330 610396937 /nfs/dbraw/zinc/39/69/37/610396937.db2.gz FDCOMTRJYRPMEN-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn4ccccc34)CC2)C1 ZINC000941607928 610405485 /nfs/dbraw/zinc/40/54/85/610405485.db2.gz ZGOTUXIKTRZIGL-UHFFFAOYSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC000942371806 610419764 /nfs/dbraw/zinc/41/97/64/610419764.db2.gz ZDOJWBPSNWHMOH-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC000942371806 610419769 /nfs/dbraw/zinc/41/97/69/610419769.db2.gz ZDOJWBPSNWHMOH-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cn4nccc4nc3C)CC2)C1 ZINC000941623526 610427079 /nfs/dbraw/zinc/42/70/79/610427079.db2.gz XQGLAFXYQWLPNS-UHFFFAOYSA-N 1 1 340.431 0.666 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H](OC)C2CC2)CC1 ZINC000940904446 610427668 /nfs/dbraw/zinc/42/76/68/610427668.db2.gz FDYAERMQEQBXMN-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H](OC)C2CC2)CC1 ZINC000940904446 610427671 /nfs/dbraw/zinc/42/76/71/610427671.db2.gz FDYAERMQEQBXMN-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000941653313 610442877 /nfs/dbraw/zinc/44/28/77/610442877.db2.gz OEXXZTAMZJRNNR-INIZCTEOSA-N 1 1 346.475 0.287 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000942430001 610445487 /nfs/dbraw/zinc/44/54/87/610445487.db2.gz OOVQXKKULXQSNA-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C[C@@H](C(=O)N1CCN(C2C[NH+](CCO)C2)CC1)c1ccccc1 ZINC000941675278 610448198 /nfs/dbraw/zinc/44/81/98/610448198.db2.gz WWLZMDAKYNANTA-GOSISDBHSA-N 1 1 329.444 0.777 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000941678047 610450986 /nfs/dbraw/zinc/45/09/86/610450986.db2.gz UONMEJKEUDOLTF-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)C1 ZINC000941664699 610455945 /nfs/dbraw/zinc/45/59/45/610455945.db2.gz BGCVBCMPHRYXTL-UHFFFAOYSA-N 1 1 345.447 0.356 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000942433809 610459068 /nfs/dbraw/zinc/45/90/68/610459068.db2.gz FKPHFVZPOQZPRE-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)C3CCOCC3)CC2)C1 ZINC000941689715 610465045 /nfs/dbraw/zinc/46/50/45/610465045.db2.gz ABGYVNPPZZTYKL-MRXNPFEDSA-N 1 1 333.476 0.901 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](C)C1 ZINC000942494977 610480890 /nfs/dbraw/zinc/48/08/90/610480890.db2.gz DAPDIEKUERMLRR-HUUCEWRRSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C(C)(C)C1 ZINC000940984608 610481350 /nfs/dbraw/zinc/48/13/50/610481350.db2.gz MDFDHQKVELTAEX-CZUORRHYSA-N 1 1 329.448 0.770 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cnc(C)o2)C1 ZINC000940988138 610483565 /nfs/dbraw/zinc/48/35/65/610483565.db2.gz WORCSKQPTBHWKL-ZBFHGGJFSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cnc(C)o2)C1 ZINC000940988138 610483566 /nfs/dbraw/zinc/48/35/66/610483566.db2.gz WORCSKQPTBHWKL-ZBFHGGJFSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)C[C@@H]1C ZINC000947903849 610523817 /nfs/dbraw/zinc/52/38/17/610523817.db2.gz PMRSYAPGQXNJAH-UONOGXRCSA-N 1 1 331.420 0.846 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941085880 610529455 /nfs/dbraw/zinc/52/94/55/610529455.db2.gz YARJRJQFTPKGRV-DGCLKSJQSA-N 1 1 334.424 0.168 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941085880 610529458 /nfs/dbraw/zinc/52/94/58/610529458.db2.gz YARJRJQFTPKGRV-DGCLKSJQSA-N 1 1 334.424 0.168 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H](C)C1 ZINC000942618132 610539735 /nfs/dbraw/zinc/53/97/35/610539735.db2.gz UEQUURNZPUJPDY-PWSUYJOCSA-N 1 1 341.437 0.073 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941967786 610581119 /nfs/dbraw/zinc/58/11/19/610581119.db2.gz UGDIZWCKQDGAPO-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966371 610588018 /nfs/dbraw/zinc/58/80/18/610588018.db2.gz JJZPVVLFYVCNAV-FZMZJTMJSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966371 610588021 /nfs/dbraw/zinc/58/80/21/610588021.db2.gz JJZPVVLFYVCNAV-FZMZJTMJSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966370 610588284 /nfs/dbraw/zinc/58/82/84/610588284.db2.gz JJZPVVLFYVCNAV-BXUZGUMPSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966370 610588285 /nfs/dbraw/zinc/58/82/85/610588285.db2.gz JJZPVVLFYVCNAV-BXUZGUMPSA-N 1 1 327.392 0.655 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000941231018 610602191 /nfs/dbraw/zinc/60/21/91/610602191.db2.gz LRHIKAMERSHWGP-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCOCC2)C1 ZINC000941237626 610621167 /nfs/dbraw/zinc/62/11/67/610621167.db2.gz DHSCNEMKQKSFCV-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCOCC2)C1 ZINC000941237626 610621168 /nfs/dbraw/zinc/62/11/68/610621168.db2.gz DHSCNEMKQKSFCV-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)nn2C)C1 ZINC000941237984 610621326 /nfs/dbraw/zinc/62/13/26/610621326.db2.gz OBXXYKUAZOKUKV-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)nn2C)C1 ZINC000941237984 610621328 /nfs/dbraw/zinc/62/13/28/610621328.db2.gz OBXXYKUAZOKUKV-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@](C)(O)C2CC2)C1 ZINC000941238070 610622312 /nfs/dbraw/zinc/62/23/12/610622312.db2.gz RXIGDKLMMNQRJX-GJYPPUQNSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@](C)(O)C2CC2)C1 ZINC000941238070 610622313 /nfs/dbraw/zinc/62/23/13/610622313.db2.gz RXIGDKLMMNQRJX-GJYPPUQNSA-N 1 1 347.459 0.352 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942058609 610636523 /nfs/dbraw/zinc/63/65/23/610636523.db2.gz ZCFDJNUQXCFRFH-CZUORRHYSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2nc3ncc(C)cn3n2)[C@@H](C)C1 ZINC000942163049 610682154 /nfs/dbraw/zinc/68/21/54/610682154.db2.gz FOOYSLGAGSJGOH-KBPBESRZSA-N 1 1 326.404 0.896 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000942188803 610691340 /nfs/dbraw/zinc/69/13/40/610691340.db2.gz MTZKEYAELYRTPE-AAEUAGOBSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2CCOC2)C1 ZINC000942950365 610700274 /nfs/dbraw/zinc/70/02/74/610700274.db2.gz FWWKLAQLPWXISQ-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2CCOC2)C1 ZINC000942950365 610700275 /nfs/dbraw/zinc/70/02/75/610700275.db2.gz FWWKLAQLPWXISQ-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccnc4[nH]cnc43)CC2)C1 ZINC000941424684 610724794 /nfs/dbraw/zinc/72/47/94/610724794.db2.gz XBLHLHXKSFHWIG-UHFFFAOYSA-N 1 1 338.415 0.423 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000943239484 610762963 /nfs/dbraw/zinc/76/29/63/610762963.db2.gz OXODWVPFZPDSTR-GJZGRUSLSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000943239484 610762966 /nfs/dbraw/zinc/76/29/66/610762966.db2.gz OXODWVPFZPDSTR-GJZGRUSLSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1(CF)CC1 ZINC000944281098 610820757 /nfs/dbraw/zinc/82/07/57/610820757.db2.gz LLLUAXOHLNBVTD-CABCVRRESA-N 1 1 335.423 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1(CF)CC1 ZINC000944281098 610820759 /nfs/dbraw/zinc/82/07/59/610820759.db2.gz LLLUAXOHLNBVTD-CABCVRRESA-N 1 1 335.423 0.941 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC000944385804 610854462 /nfs/dbraw/zinc/85/44/62/610854462.db2.gz ZTTKHRVRHXOPCA-HUUCEWRRSA-N 1 1 332.448 0.939 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C)nn1 ZINC000943480723 610868457 /nfs/dbraw/zinc/86/84/57/610868457.db2.gz FXBCNVAUESHRKW-ZFWWWQNUSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](C)C1 ZINC000943517062 610882192 /nfs/dbraw/zinc/88/21/92/610882192.db2.gz NXGBQGHQWWFEEX-KBPBESRZSA-N 1 1 334.424 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C[C@@H]1CCCO1 ZINC000943887915 611017979 /nfs/dbraw/zinc/01/79/79/611017979.db2.gz WHLXKCHGPPNSEM-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C[C@@H]1CCCO1 ZINC000943887915 611017980 /nfs/dbraw/zinc/01/79/80/611017980.db2.gz WHLXKCHGPPNSEM-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000944605550 611021031 /nfs/dbraw/zinc/02/10/31/611021031.db2.gz KYROCJGYGKHTCY-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC000943937776 611040599 /nfs/dbraw/zinc/04/05/99/611040599.db2.gz JUZOVFLWOQHAFP-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H](C)C1 ZINC000944034599 611097935 /nfs/dbraw/zinc/09/79/35/611097935.db2.gz VZZHCVMHVZYAEL-HUUCEWRRSA-N 1 1 347.463 0.784 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1C ZINC000944062621 611109117 /nfs/dbraw/zinc/10/91/17/611109117.db2.gz QXGNIVICNWPDFK-UONOGXRCSA-N 1 1 346.431 0.833 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@@H]1C ZINC000944062621 611109119 /nfs/dbraw/zinc/10/91/19/611109119.db2.gz QXGNIVICNWPDFK-UONOGXRCSA-N 1 1 346.431 0.833 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000944078051 611114870 /nfs/dbraw/zinc/11/48/70/611114870.db2.gz FMVNLVXMTUXPDD-SWLSCSKDSA-N 1 1 326.404 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cc(C)no1 ZINC000944097547 611130758 /nfs/dbraw/zinc/13/07/58/611130758.db2.gz FSMKXWASJGOLNM-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cc(C)no1 ZINC000944097547 611130759 /nfs/dbraw/zinc/13/07/59/611130759.db2.gz FSMKXWASJGOLNM-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]2C1 ZINC000946824103 611174585 /nfs/dbraw/zinc/17/45/85/611174585.db2.gz BSJJAAWSIRTYHE-OKILXGFUSA-N 1 1 334.420 0.285 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000923343779 611231887 /nfs/dbraw/zinc/23/18/87/611231887.db2.gz AMLIZKOXVZVZTF-QZTJIDSGSA-N 1 1 344.459 0.486 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000923343779 611231888 /nfs/dbraw/zinc/23/18/88/611231888.db2.gz AMLIZKOXVZVZTF-QZTJIDSGSA-N 1 1 344.459 0.486 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3C(C)=O)CC[C@@H]2C1 ZINC000946895900 611238511 /nfs/dbraw/zinc/23/85/11/611238511.db2.gz CFZCYZGWQNJZLR-IXDOHACOSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3scc(C)n3c2=O)C1 ZINC000923563550 611263263 /nfs/dbraw/zinc/26/32/63/611263263.db2.gz NQPLPNMWCIMLPU-GFCCVEGCSA-N 1 1 330.413 0.892 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3scc(C)n3c2=O)C1 ZINC000923563550 611263266 /nfs/dbraw/zinc/26/32/66/611263266.db2.gz NQPLPNMWCIMLPU-GFCCVEGCSA-N 1 1 330.413 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C2CCN(Cc3nccn3C)CC2)C1 ZINC000923574658 611267269 /nfs/dbraw/zinc/26/72/69/611267269.db2.gz WDSXFOPEZJFJID-QGZVFWFLSA-N 1 1 343.475 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CCN(Cc3nccn3C)CC2)C1 ZINC000923574658 611267270 /nfs/dbraw/zinc/26/72/70/611267270.db2.gz WDSXFOPEZJFJID-QGZVFWFLSA-N 1 1 343.475 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2OCC(=O)N(C)C)C1 ZINC000923590909 611271028 /nfs/dbraw/zinc/27/10/28/611271028.db2.gz HRPLTLQIANEQOS-HNNXBMFYSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2OCC(=O)N(C)C)C1 ZINC000923590909 611271030 /nfs/dbraw/zinc/27/10/30/611271030.db2.gz HRPLTLQIANEQOS-HNNXBMFYSA-N 1 1 343.427 0.981 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000946496341 611285215 /nfs/dbraw/zinc/28/52/15/611285215.db2.gz UFYJZSHGBQJIOG-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCn1cc(CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)cn1 ZINC000834610088 611294730 /nfs/dbraw/zinc/29/47/30/611294730.db2.gz WSOLDZVPGAQYFL-UHFFFAOYSA-N 1 1 337.387 0.794 20 30 ECEDMO N#Cc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cs1 ZINC000921747101 611311775 /nfs/dbraw/zinc/31/17/75/611311775.db2.gz SKWVYTRRCJBLCC-UONOGXRCSA-N 1 1 341.458 0.207 20 30 ECEDMO C#CC[C@H]1NC(=O)N(CCCN2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000842240367 611312902 /nfs/dbraw/zinc/31/29/02/611312902.db2.gz PNZVUMOXZMNVCH-MRXNPFEDSA-N 1 1 341.415 0.537 20 30 ECEDMO N#CC1(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCCC1 ZINC000922346600 611347773 /nfs/dbraw/zinc/34/77/73/611347773.db2.gz KFQQNZZRHPRCDK-MRXNPFEDSA-N 1 1 334.464 0.983 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2CCC[N@H+](CC(=O)NC)CC2)nn1 ZINC000948840919 611728193 /nfs/dbraw/zinc/72/81/93/611728193.db2.gz OOXOOVGUCXYNBQ-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)C1(O)CCCC1 ZINC000929824476 611797541 /nfs/dbraw/zinc/79/75/41/611797541.db2.gz LIHFHVFTXXDRDA-HIFRSBDPSA-N 1 1 331.420 0.525 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)C1(O)CCCC1 ZINC000929824476 611797543 /nfs/dbraw/zinc/79/75/43/611797543.db2.gz LIHFHVFTXXDRDA-HIFRSBDPSA-N 1 1 331.420 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC000950648614 611816696 /nfs/dbraw/zinc/81/66/96/611816696.db2.gz UPPJMYRGVULYKQ-OIISXLGYSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC000950648614 611816698 /nfs/dbraw/zinc/81/66/98/611816698.db2.gz UPPJMYRGVULYKQ-OIISXLGYSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000950650860 611817695 /nfs/dbraw/zinc/81/76/95/611817695.db2.gz JWKNZFLPVLTBKM-VQHPVUNQSA-N 1 1 346.475 0.141 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000934838593 611825145 /nfs/dbraw/zinc/82/51/45/611825145.db2.gz NDXXINYIELZJBV-ROUUACIJSA-N 1 1 333.476 0.902 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CC[C@H](C)C2)nn1 ZINC000950057083 611855378 /nfs/dbraw/zinc/85/53/78/611855378.db2.gz QLLDSEWJAZJQTA-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]cc1C ZINC000950072652 611857575 /nfs/dbraw/zinc/85/75/75/611857575.db2.gz YVUVEQHHFWKPEI-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]cc1C ZINC000950072652 611857578 /nfs/dbraw/zinc/85/75/78/611857578.db2.gz YVUVEQHHFWKPEI-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000950076443 611858513 /nfs/dbraw/zinc/85/85/13/611858513.db2.gz DNQSLCNIHYNLHM-SJORKVTESA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000950076443 611858514 /nfs/dbraw/zinc/85/85/14/611858514.db2.gz DNQSLCNIHYNLHM-SJORKVTESA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2n[nH]cc2C)C1 ZINC000950744144 611880220 /nfs/dbraw/zinc/88/02/20/611880220.db2.gz OHOKNQLHDHPADZ-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2n[nH]cc2C)C1 ZINC000950744144 611880223 /nfs/dbraw/zinc/88/02/23/611880223.db2.gz OHOKNQLHDHPADZ-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000950755283 611890818 /nfs/dbraw/zinc/89/08/18/611890818.db2.gz IQGQCDRAQFFYBR-BIVLZKPYSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000950755283 611890820 /nfs/dbraw/zinc/89/08/20/611890820.db2.gz IQGQCDRAQFFYBR-BIVLZKPYSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)/C=C\c1ccc[nH]1 ZINC000950755136 611890890 /nfs/dbraw/zinc/89/08/90/611890890.db2.gz DZWLWYYSBYEGCM-IIAQQRLMSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)/C=C\c1ccc[nH]1 ZINC000950755136 611890891 /nfs/dbraw/zinc/89/08/91/611890891.db2.gz DZWLWYYSBYEGCM-IIAQQRLMSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000950755044 611890948 /nfs/dbraw/zinc/89/09/48/611890948.db2.gz CAUBUMQVIKWJHL-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1nn(C)cc1C ZINC000950755692 611891413 /nfs/dbraw/zinc/89/14/13/611891413.db2.gz RMQMLMMDODLESR-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1nn(C)cc1C ZINC000950755692 611891414 /nfs/dbraw/zinc/89/14/14/611891414.db2.gz RMQMLMMDODLESR-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCOC3(CC[NH+](CC(=O)NC)CC3)C2)C1 ZINC000949182468 611892200 /nfs/dbraw/zinc/89/22/00/611892200.db2.gz PMDTVOCHPGNVCZ-UHFFFAOYSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 ZINC000949326477 611939959 /nfs/dbraw/zinc/93/99/59/611939959.db2.gz VHNDVUXQMFGSCN-MRXNPFEDSA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)CN3CN=NC3=O)CC2)C1 ZINC000949343428 611945583 /nfs/dbraw/zinc/94/55/83/611945583.db2.gz BRAWFIJQYPHVIQ-UHFFFAOYSA-N 1 1 335.408 0.253 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000950863238 611951928 /nfs/dbraw/zinc/95/19/28/611951928.db2.gz SGKGASIJMCOGID-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC000949426947 611975271 /nfs/dbraw/zinc/97/52/71/611975271.db2.gz CDGZFGHYNFJBEC-KRWDZBQOSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC000949433566 611978707 /nfs/dbraw/zinc/97/87/07/611978707.db2.gz ZUFMECDYPQFDPT-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC000949433566 611978709 /nfs/dbraw/zinc/97/87/09/611978709.db2.gz ZUFMECDYPQFDPT-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC000949446827 611983697 /nfs/dbraw/zinc/98/36/97/611983697.db2.gz FYSFEABDQAWZNQ-UHFFFAOYSA-N 1 1 332.404 0.984 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC000949446827 611983698 /nfs/dbraw/zinc/98/36/98/611983698.db2.gz FYSFEABDQAWZNQ-UHFFFAOYSA-N 1 1 332.404 0.984 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 ZINC000949446931 611983808 /nfs/dbraw/zinc/98/38/08/611983808.db2.gz GCMPPLPVOWAUBO-OAHLLOKOSA-N 1 1 333.432 0.324 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1)C1CCC1 ZINC000949449583 611984816 /nfs/dbraw/zinc/98/48/16/611984816.db2.gz PRGMJWQWRKDKSZ-CQSZACIVSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC3(CC2)C[N@@H+](C[C@H](C)O)CCO3)c1 ZINC000949468722 611990932 /nfs/dbraw/zinc/99/09/32/611990932.db2.gz KJRXJTLCJZKVGN-HNNXBMFYSA-N 1 1 343.427 0.751 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000950947080 611993612 /nfs/dbraw/zinc/99/36/12/611993612.db2.gz GVRVAZADURTMQR-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000950947080 611993615 /nfs/dbraw/zinc/99/36/15/611993615.db2.gz GVRVAZADURTMQR-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC3(CC2)C[N@@H+](CCCO)CCO3)nn1 ZINC000949489779 612002799 /nfs/dbraw/zinc/00/27/99/612002799.db2.gz PWUFXJNETWQAFP-UHFFFAOYSA-N 1 1 349.435 0.154 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000949490420 612003381 /nfs/dbraw/zinc/00/33/81/612003381.db2.gz AFFWKCPQHNAHFL-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000949528966 612022220 /nfs/dbraw/zinc/02/22/20/612022220.db2.gz GYVDCGJXVYARKR-INIZCTEOSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000949528966 612022221 /nfs/dbraw/zinc/02/22/21/612022221.db2.gz GYVDCGJXVYARKR-INIZCTEOSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccnn1CC ZINC000949571392 612033800 /nfs/dbraw/zinc/03/38/00/612033800.db2.gz RMAFZNMLIUWVHI-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccnn1CC ZINC000949571392 612033802 /nfs/dbraw/zinc/03/38/02/612033802.db2.gz RMAFZNMLIUWVHI-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnn(C)c2)C1 ZINC000950533154 612057861 /nfs/dbraw/zinc/05/78/61/612057861.db2.gz BBFQDRVBWVTEPR-KRWDZBQOSA-N 1 1 329.448 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnn(C)c2)C1 ZINC000950533154 612057863 /nfs/dbraw/zinc/05/78/63/612057863.db2.gz BBFQDRVBWVTEPR-KRWDZBQOSA-N 1 1 329.448 0.550 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2CCOCC2)C1 ZINC000951223331 612087859 /nfs/dbraw/zinc/08/78/59/612087859.db2.gz DRWXAUHWXUNKBN-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2CCOCC2)C1 ZINC000951223331 612087860 /nfs/dbraw/zinc/08/78/60/612087860.db2.gz DRWXAUHWXUNKBN-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2csnn2)C1 ZINC000951224122 612089445 /nfs/dbraw/zinc/08/94/45/612089445.db2.gz YCFLEBNEMTVEAK-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2csnn2)C1 ZINC000951224122 612089447 /nfs/dbraw/zinc/08/94/47/612089447.db2.gz YCFLEBNEMTVEAK-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC000952025136 612183795 /nfs/dbraw/zinc/18/37/95/612183795.db2.gz XHCNYGMQQAHGLR-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC000952025136 612183797 /nfs/dbraw/zinc/18/37/97/612183797.db2.gz XHCNYGMQQAHGLR-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000952033523 612191899 /nfs/dbraw/zinc/19/18/99/612191899.db2.gz GFPXNCBCUOLHKO-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000953173060 612192597 /nfs/dbraw/zinc/19/25/97/612192597.db2.gz RYABFRKRGLITDK-SUMWQHHRSA-N 1 1 329.404 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cn2cc[nH+]c2C)nc1 ZINC000951378171 612194864 /nfs/dbraw/zinc/19/48/64/612194864.db2.gz OXXDHTNUGQVYTE-OAHLLOKOSA-N 1 1 337.383 0.599 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000951410230 612210787 /nfs/dbraw/zinc/21/07/87/612210787.db2.gz ATXZKADIEPIAFC-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@@H]2CCOC2)CC1 ZINC000953799365 612287751 /nfs/dbraw/zinc/28/77/51/612287751.db2.gz DFRJNZGCRVSCON-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@@H]2CCOC2)CC1 ZINC000953799365 612287756 /nfs/dbraw/zinc/28/77/56/612287756.db2.gz DFRJNZGCRVSCON-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC000955340604 612462049 /nfs/dbraw/zinc/46/20/49/612462049.db2.gz PNKCYKVPZNROBX-AWEZNQCLSA-N 1 1 340.427 0.830 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1)C2 ZINC000955342048 612466696 /nfs/dbraw/zinc/46/66/96/612466696.db2.gz KHFFFSPOGOEIMS-AAEUAGOBSA-N 1 1 329.404 0.583 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCCO2)C1 ZINC000954630359 612467298 /nfs/dbraw/zinc/46/72/98/612467298.db2.gz CWBPLBHPGPVISO-HOTGVXAUSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCCO2)C1 ZINC000954630359 612467302 /nfs/dbraw/zinc/46/73/02/612467302.db2.gz CWBPLBHPGPVISO-HOTGVXAUSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[C@@H]2CCOC2)C1 ZINC000954631615 612469998 /nfs/dbraw/zinc/46/99/98/612469998.db2.gz ZVJBWFLOKNKVQB-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[C@@H]2CCOC2)C1 ZINC000954631615 612470002 /nfs/dbraw/zinc/47/00/02/612470002.db2.gz ZVJBWFLOKNKVQB-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CCCOC2)C1 ZINC000954632393 612472274 /nfs/dbraw/zinc/47/22/74/612472274.db2.gz WPLWNWRTYMNIDS-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CCCOC2)C1 ZINC000954632393 612472277 /nfs/dbraw/zinc/47/22/77/612472277.db2.gz WPLWNWRTYMNIDS-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000955927672 612494681 /nfs/dbraw/zinc/49/46/81/612494681.db2.gz RMFSGLQZCYIOMP-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC000952563331 612514774 /nfs/dbraw/zinc/51/47/74/612514774.db2.gz TXUPORYKRGWQCH-XHSDSOJGSA-N 1 1 348.447 0.460 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2ccon2)CC1 ZINC000954044437 612585795 /nfs/dbraw/zinc/58/57/95/612585795.db2.gz BFIMQKJUZZZWGJ-INIZCTEOSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2ccon2)CC1 ZINC000954044437 612585797 /nfs/dbraw/zinc/58/57/97/612585797.db2.gz BFIMQKJUZZZWGJ-INIZCTEOSA-N 1 1 344.415 0.835 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000951785565 612610577 /nfs/dbraw/zinc/61/05/77/612610577.db2.gz UHEDEGFPOJOJMR-BBWFWOEESA-N 1 1 348.447 0.368 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956019054 612615926 /nfs/dbraw/zinc/61/59/26/612615926.db2.gz YKEOFTVAQOXDGI-KGLIPLIRSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)ncn2)C1 ZINC000954077815 612638493 /nfs/dbraw/zinc/63/84/93/612638493.db2.gz CGLNBJYTOZOAJQ-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)ncn2)C1 ZINC000954077815 612638497 /nfs/dbraw/zinc/63/84/97/612638497.db2.gz CGLNBJYTOZOAJQ-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC000951810756 612649713 /nfs/dbraw/zinc/64/97/13/612649713.db2.gz CVTYIZIVTFKGMH-KBPBESRZSA-N 1 1 345.399 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC000951810756 612649718 /nfs/dbraw/zinc/64/97/18/612649718.db2.gz CVTYIZIVTFKGMH-KBPBESRZSA-N 1 1 345.399 0.717 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954110154 612673943 /nfs/dbraw/zinc/67/39/43/612673943.db2.gz STYHMKXKJFKCRG-NSHDSACASA-N 1 1 340.387 0.771 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1csnn1 ZINC000956073122 612677300 /nfs/dbraw/zinc/67/73/00/612677300.db2.gz NYOUYHBDPQXDRZ-JSGCOSHPSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1csnn1 ZINC000956073122 612677302 /nfs/dbraw/zinc/67/73/02/612677302.db2.gz NYOUYHBDPQXDRZ-JSGCOSHPSA-N 1 1 347.444 0.357 20 30 ECEDMO CN(C(=O)Cn1c[nH+]c2c1CCCC2)C1CN(C(=O)C#CC2CC2)C1 ZINC000954797386 612691781 /nfs/dbraw/zinc/69/17/81/612691781.db2.gz HXCKNILNOGLHKL-UHFFFAOYSA-N 1 1 340.427 0.845 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC000956126877 612728380 /nfs/dbraw/zinc/72/83/80/612728380.db2.gz INNFIVMWTNJXKK-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954327804 612859636 /nfs/dbraw/zinc/85/96/36/612859636.db2.gz VBPJWHIIBIHRNZ-UHFFFAOYSA-N 1 1 326.360 0.374 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000954392141 612888962 /nfs/dbraw/zinc/88/89/62/612888962.db2.gz JLOHPGLDJZXXII-XHSDSOJGSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccn[nH]2)C1 ZINC000956719292 612936825 /nfs/dbraw/zinc/93/68/25/612936825.db2.gz JRSKIGGPWNQUQG-WMLDXEAASA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccn[nH]2)C1 ZINC000956719292 612936826 /nfs/dbraw/zinc/93/68/26/612936826.db2.gz JRSKIGGPWNQUQG-WMLDXEAASA-N 1 1 329.404 0.228 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC001041786616 782205493 /nfs/dbraw/zinc/20/54/93/782205493.db2.gz VODQBURGFOKACP-KRWDZBQOSA-N 1 1 334.420 0.381 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H](O)C(C)C)[C@@H]2C1 ZINC000972005189 735490153 /nfs/dbraw/zinc/49/01/53/735490153.db2.gz KUSMUMKCSFDBDP-YYIAUSFCSA-N 1 1 347.459 0.160 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H](O)C(C)C)[C@@H]2C1 ZINC000972005189 735490157 /nfs/dbraw/zinc/49/01/57/735490157.db2.gz KUSMUMKCSFDBDP-YYIAUSFCSA-N 1 1 347.459 0.160 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000987925028 751340535 /nfs/dbraw/zinc/34/05/35/751340535.db2.gz JOHIWXPEDIHTES-KGLIPLIRSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)C(N)=O)C1 ZINC001211489866 731549977 /nfs/dbraw/zinc/54/99/77/731549977.db2.gz NZKLDGBHQVPCQR-QLFBSQMISA-N 1 1 325.453 0.773 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 ZINC001125278915 731550693 /nfs/dbraw/zinc/55/06/93/731550693.db2.gz GZKLZMCAXCUQEH-HIFRSBDPSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(C)CCCC2)[C@@H](O)C1 ZINC000969176324 731558867 /nfs/dbraw/zinc/55/88/67/731558867.db2.gz DVOKRZRHSINDGG-PMPSAXMXSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(C)CCCC2)[C@@H](O)C1 ZINC000969176324 731558870 /nfs/dbraw/zinc/55/88/70/731558870.db2.gz DVOKRZRHSINDGG-PMPSAXMXSA-N 1 1 347.459 0.352 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ccncc2C#N)C1 ZINC001125280418 731577177 /nfs/dbraw/zinc/57/71/77/731577177.db2.gz RSERICCELIUASZ-HOCLYGCPSA-N 1 1 345.447 0.551 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1cccc(F)n1 ZINC001111582895 731588476 /nfs/dbraw/zinc/58/84/76/731588476.db2.gz VUXLLHCBBAFJBJ-AWEZNQCLSA-N 1 1 334.395 0.551 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1cccc(F)n1 ZINC001111582895 731588477 /nfs/dbraw/zinc/58/84/77/731588477.db2.gz VUXLLHCBBAFJBJ-AWEZNQCLSA-N 1 1 334.395 0.551 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001207409866 738526464 /nfs/dbraw/zinc/52/64/64/738526464.db2.gz KPYHGVHRBVIIKV-LBPRGKRZSA-N 1 1 337.453 0.591 20 30 ECEDMO N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000969245771 731636427 /nfs/dbraw/zinc/63/64/27/731636427.db2.gz VWAOMRXZRFOPCN-HZPDHXFCSA-N 1 1 347.440 0.683 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC001112474225 731676430 /nfs/dbraw/zinc/67/64/30/731676430.db2.gz PNYDCNPTSKCRFM-ZFWWWQNUSA-N 1 1 343.431 0.706 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cncnc3C)C2)C1=O ZINC000969345680 731744693 /nfs/dbraw/zinc/74/46/93/731744693.db2.gz NBHMSLNVPNUDLH-BLLLJJGKSA-N 1 1 343.431 0.622 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973011975 738542741 /nfs/dbraw/zinc/54/27/41/738542741.db2.gz YDCJKVJCZVPZLO-KGLIPLIRSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973011975 738542744 /nfs/dbraw/zinc/54/27/44/738542744.db2.gz YDCJKVJCZVPZLO-KGLIPLIRSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC000973037132 738570418 /nfs/dbraw/zinc/57/04/18/738570418.db2.gz HEGDHKULICLPAN-LALPHHSUSA-N 1 1 345.403 0.569 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CN(C)c2ccncc2C#N)CC[N@H+]1C ZINC001125304896 732327117 /nfs/dbraw/zinc/32/71/17/732327117.db2.gz FJUPBZXJMUCYFC-FVQBIDKESA-N 1 1 345.447 0.549 20 30 ECEDMO C=CCN1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194129 732660208 /nfs/dbraw/zinc/66/02/08/732660208.db2.gz XSNFGUSBJPFYQI-DLBZAZTESA-N 1 1 346.431 0.982 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC001041819233 782267051 /nfs/dbraw/zinc/26/70/51/782267051.db2.gz COFQJIADHMKZBL-KRWDZBQOSA-N 1 1 334.420 0.381 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000970048543 732673944 /nfs/dbraw/zinc/67/39/44/732673944.db2.gz UNNMFYBAKZPGCE-SNVBAGLBSA-N 1 1 325.390 0.000 20 30 ECEDMO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 ZINC001209420586 732894975 /nfs/dbraw/zinc/89/49/75/732894975.db2.gz VQVLKZHRMGHPCU-HOCLYGCPSA-N 1 1 333.436 0.614 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1 ZINC001098529245 732919717 /nfs/dbraw/zinc/91/97/17/732919717.db2.gz ZGXPPMNORNMCKY-UHFFFAOYSA-N 1 1 337.464 0.716 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001125319569 732936476 /nfs/dbraw/zinc/93/64/76/732936476.db2.gz ACLTZTVSHNZRRW-HNNXBMFYSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc(C)s2)C1 ZINC000973085093 738663318 /nfs/dbraw/zinc/66/33/18/738663318.db2.gz XQFXVUMEGYYCLB-IHRRRGAJSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc(C)s2)C1 ZINC000973085093 738663321 /nfs/dbraw/zinc/66/33/21/738663321.db2.gz XQFXVUMEGYYCLB-IHRRRGAJSA-N 1 1 346.456 0.926 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccc(C#N)cn1)C(=O)C[N@@H+](C)C1CCC1 ZINC001125321823 732993877 /nfs/dbraw/zinc/99/38/77/732993877.db2.gz QESOQQGCTJCBTE-INIZCTEOSA-N 1 1 345.447 0.693 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@](C)(NC(C)=O)C2CC2)CC1 ZINC001098530598 733023411 /nfs/dbraw/zinc/02/34/11/733023411.db2.gz DXWLNHAMVXXJHO-LJQANCHMSA-N 1 1 349.475 0.600 20 30 ECEDMO CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125326927 733045900 /nfs/dbraw/zinc/04/59/00/733045900.db2.gz CJGCFWXBIMTPBZ-HUUCEWRRSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1ccnc(C)n1 ZINC001125327257 733047563 /nfs/dbraw/zinc/04/75/63/733047563.db2.gz JUPGLAZJLZRFQB-CVEARBPZSA-N 1 1 345.447 0.138 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1ccnc(C)n1 ZINC001125327257 733047568 /nfs/dbraw/zinc/04/75/68/733047568.db2.gz JUPGLAZJLZRFQB-CVEARBPZSA-N 1 1 345.447 0.138 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nnnn4CC3)[C@H]2C1 ZINC001083200630 733152069 /nfs/dbraw/zinc/15/20/69/733152069.db2.gz QLIWQDZNGUYKFS-SOUVJXGZSA-N 1 1 346.435 0.113 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)C2)cc1 ZINC000970199707 733182198 /nfs/dbraw/zinc/18/21/98/733182198.db2.gz ZUIAETKNWIIOMF-OAHLLOKOSA-N 1 1 339.399 0.831 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)n3)C2)cc1 ZINC000970199290 733187073 /nfs/dbraw/zinc/18/70/73/733187073.db2.gz VBOXEDGFGBWEDP-OAHLLOKOSA-N 1 1 339.399 0.831 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970263887 733272474 /nfs/dbraw/zinc/27/24/74/733272474.db2.gz GORPWJPZIAIKTJ-NHYWBVRUSA-N 1 1 344.390 0.770 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2O)CC1 ZINC000970336187 733369582 /nfs/dbraw/zinc/36/95/82/733369582.db2.gz ISBCJQDCOXJUQP-CVEARBPZSA-N 1 1 346.431 0.626 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnn3ccc(C)nc23)CC1 ZINC001098536885 733460664 /nfs/dbraw/zinc/46/06/64/733460664.db2.gz RVRIRFNKLASOBX-UHFFFAOYSA-N 1 1 341.415 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccnnc3)C2)C1=O ZINC000970483742 733601087 /nfs/dbraw/zinc/60/10/87/733601087.db2.gz VRMICPXUVMPWHN-IUODEOHRSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccn(CC)n3)C2)C1=O ZINC000970530635 733649380 /nfs/dbraw/zinc/64/93/80/733649380.db2.gz BYBKPJFPIHNLJL-CJNGLKHVSA-N 1 1 345.447 0.740 20 30 ECEDMO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC001167318082 733686508 /nfs/dbraw/zinc/68/65/08/733686508.db2.gz CZSSTZOJQDHPOW-JSGCOSHPSA-N 1 1 342.399 0.902 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000973103172 738741852 /nfs/dbraw/zinc/74/18/52/738741852.db2.gz CWEPQEQXBORLFD-DZKIICNBSA-N 1 1 326.400 0.534 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC000973104181 738746976 /nfs/dbraw/zinc/74/69/76/738746976.db2.gz YUYNXPRNNMYSAN-KKUMJFAQSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC000973104181 738746978 /nfs/dbraw/zinc/74/69/78/738746978.db2.gz YUYNXPRNNMYSAN-KKUMJFAQSA-N 1 1 344.390 0.695 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)CC1 ZINC000970645887 733775510 /nfs/dbraw/zinc/77/55/10/733775510.db2.gz KEWKZNOBUDNRSA-UAGQMJEPSA-N 1 1 349.475 0.763 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NS(C)(=O)=O ZINC001114942373 733779708 /nfs/dbraw/zinc/77/97/08/733779708.db2.gz KRUZDCKQCMHNMK-MQYQWHSLSA-N 1 1 343.493 0.715 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970714803 733863844 /nfs/dbraw/zinc/86/38/44/733863844.db2.gz SZNODWKTCJUJJF-TZMCWYRMSA-N 1 1 344.415 0.585 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)C2(C(=O)NC)CCC2)CC1 ZINC001098540866 733866300 /nfs/dbraw/zinc/86/63/00/733866300.db2.gz ZNSNEEBTYWENEL-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000970814369 733970034 /nfs/dbraw/zinc/97/00/34/733970034.db2.gz PBPIJZWTIYOQAS-NSHDSACASA-N 1 1 325.372 0.804 20 30 ECEDMO C=CCn1cc(C(=O)NCCC2(C[NH2+]Cc3ncccn3)CC2)nn1 ZINC001167411358 734172876 /nfs/dbraw/zinc/17/28/76/734172876.db2.gz NXCLJPKNKCYDDL-UHFFFAOYSA-N 1 1 341.419 0.944 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CNc3nccnc3C#N)CC2)C1 ZINC001067476881 734201201 /nfs/dbraw/zinc/20/12/01/734201201.db2.gz GWZFQFQCEKTGLO-ZDUSSCGKSA-N 1 1 344.419 0.065 20 30 ECEDMO Cc1cc(C#N)nc(NCCN(CCO)C(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001111584863 734287533 /nfs/dbraw/zinc/28/75/33/734287533.db2.gz REDKSJNQRXMKDJ-OAHLLOKOSA-N 1 1 346.435 0.374 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001211503719 734296527 /nfs/dbraw/zinc/29/65/27/734296527.db2.gz GSHXVYLSHULDNQ-KYJSFNMBSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001211503719 734296531 /nfs/dbraw/zinc/29/65/31/734296531.db2.gz GSHXVYLSHULDNQ-KYJSFNMBSA-N 1 1 349.475 0.768 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC001098547612 734298048 /nfs/dbraw/zinc/29/80/48/734298048.db2.gz DGKMKCVRVFPSJV-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104323135 734302406 /nfs/dbraw/zinc/30/24/06/734302406.db2.gz JHQNKODTBGPVHB-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098547775 734306039 /nfs/dbraw/zinc/30/60/39/734306039.db2.gz HKZCIOUXVSWBNY-UHFFFAOYSA-N 1 1 344.455 0.878 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001098547836 734307241 /nfs/dbraw/zinc/30/72/41/734307241.db2.gz KGUWPYMUCPUZAZ-MRXNPFEDSA-N 1 1 337.464 0.716 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cc(C)cn3)C2)C1=O ZINC000971163150 734330148 /nfs/dbraw/zinc/33/01/48/734330148.db2.gz SYGFWAABMQXWKE-JKSUJKDBSA-N 1 1 345.447 0.511 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2ccncc2C#N)CCO1 ZINC001104327960 734343500 /nfs/dbraw/zinc/34/35/00/734343500.db2.gz DEJSMLIVKDRCKQ-OAHLLOKOSA-N 1 1 331.420 0.616 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971204983 734361003 /nfs/dbraw/zinc/36/10/03/734361003.db2.gz RHLPUXXFUACSGW-SMDDNHRTSA-N 1 1 332.429 0.931 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CCO1 ZINC001104330293 734369629 /nfs/dbraw/zinc/36/96/29/734369629.db2.gz LTGITRKLINAIQD-OAHLLOKOSA-N 1 1 332.404 0.455 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)CC2CCS(=O)(=O)CC2)C1 ZINC000971220474 734371054 /nfs/dbraw/zinc/37/10/54/734371054.db2.gz GZRMKWSKKAAPMQ-TZMCWYRMSA-N 1 1 327.450 0.504 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3nnn(C)c3C)C2)C1=O ZINC000971259925 734404091 /nfs/dbraw/zinc/40/40/91/734404091.db2.gz NPMQPLBACISSHJ-KBPBESRZSA-N 1 1 346.435 0.057 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971373420 734484130 /nfs/dbraw/zinc/48/41/30/734484130.db2.gz FIHKWMSMGXJYJQ-OAHLLOKOSA-N 1 1 340.387 0.588 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971373420 734484132 /nfs/dbraw/zinc/48/41/32/734484132.db2.gz FIHKWMSMGXJYJQ-OAHLLOKOSA-N 1 1 340.387 0.588 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3coc(C)n3)C2)C1=O ZINC000971396855 734515831 /nfs/dbraw/zinc/51/58/31/734515831.db2.gz AQCQDJANUBLONU-HIFRSBDPSA-N 1 1 332.404 0.916 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3ccnn3CC)C2)C1=O ZINC000971402914 734526498 /nfs/dbraw/zinc/52/64/98/734526498.db2.gz CVCLMFKPGWALKO-GJZGRUSLSA-N 1 1 345.447 0.836 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3ncccc3C#N)CCO2)C1 ZINC001104350408 734526547 /nfs/dbraw/zinc/52/65/47/734526547.db2.gz WBDXWXOCZNFPKE-ZBFHGGJFSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451897 734610196 /nfs/dbraw/zinc/61/01/96/734610196.db2.gz MYUAOVFQWSNTIE-HUUCEWRRSA-N 1 1 328.372 0.699 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nnnc3C(C)C)[C@H]2C1 ZINC001083218545 734625153 /nfs/dbraw/zinc/62/51/53/734625153.db2.gz YNHUNLVXEXCHPL-UONOGXRCSA-N 1 1 334.424 0.284 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078174495 782429431 /nfs/dbraw/zinc/42/94/31/782429431.db2.gz NDPNYBYPFRZVHK-BRWVUGGUSA-N 1 1 328.416 0.171 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3nn(C)cc3C)C2)C1=O ZINC000971528630 734715476 /nfs/dbraw/zinc/71/54/76/734715476.db2.gz OBXAFCQPYJHHJE-GJZGRUSLSA-N 1 1 345.447 0.662 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971544924 734737940 /nfs/dbraw/zinc/73/79/40/734737940.db2.gz GJOKTTOIAUXXCD-OAHLLOKOSA-N 1 1 325.376 0.278 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971544924 734737943 /nfs/dbraw/zinc/73/79/43/734737943.db2.gz GJOKTTOIAUXXCD-OAHLLOKOSA-N 1 1 325.376 0.278 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2ccc(NC(N)=O)cc2)CC1 ZINC001098555649 734943117 /nfs/dbraw/zinc/94/31/17/734943117.db2.gz MSGDWVHCKUIGNJ-UHFFFAOYSA-N 1 1 344.415 0.709 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)n[nH]3)[C@H]2C1 ZINC001083224282 735041191 /nfs/dbraw/zinc/04/11/91/735041191.db2.gz QFFBHOYTOXNXIA-NWDGAFQWSA-N 1 1 342.321 0.977 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)n[nH]3)[C@H]2C1 ZINC001083224282 735041192 /nfs/dbraw/zinc/04/11/92/735041192.db2.gz QFFBHOYTOXNXIA-NWDGAFQWSA-N 1 1 342.321 0.977 20 30 ECEDMO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC000971785664 735051257 /nfs/dbraw/zinc/05/12/57/735051257.db2.gz XZMVJTGHQRTJEZ-CQSZACIVSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC000971785664 735051258 /nfs/dbraw/zinc/05/12/58/735051258.db2.gz XZMVJTGHQRTJEZ-CQSZACIVSA-N 1 1 326.462 0.920 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(Nc3ccc(C#N)nn3)CCCC2)C1 ZINC001104379164 735056072 /nfs/dbraw/zinc/05/60/72/735056072.db2.gz CDNPUSYINFFZBP-AWEZNQCLSA-N 1 1 344.419 0.520 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(Nc3ccc(C#N)nn3)CCCC2)C1 ZINC001104379164 735056075 /nfs/dbraw/zinc/05/60/75/735056075.db2.gz CDNPUSYINFFZBP-AWEZNQCLSA-N 1 1 344.419 0.520 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001098558466 735257872 /nfs/dbraw/zinc/25/78/72/735257872.db2.gz DQXXYSJQNIYQHM-UHFFFAOYSA-N 1 1 329.400 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(OC)no2)C1 ZINC000973197409 738895796 /nfs/dbraw/zinc/89/57/96/738895796.db2.gz APDKTCGFPHYYGX-AVGNSLFASA-N 1 1 346.387 0.158 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(OC)no2)C1 ZINC000973197409 738895799 /nfs/dbraw/zinc/89/57/99/738895799.db2.gz APDKTCGFPHYYGX-AVGNSLFASA-N 1 1 346.387 0.158 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCOCC2)C1 ZINC000972073519 735612056 /nfs/dbraw/zinc/61/20/56/735612056.db2.gz SXTIBKTXQIVRGJ-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCOCC2)C1 ZINC000972073519 735612058 /nfs/dbraw/zinc/61/20/58/735612058.db2.gz SXTIBKTXQIVRGJ-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)n1 ZINC000972113530 735657618 /nfs/dbraw/zinc/65/76/18/735657618.db2.gz YPFSNCOXQAUSGF-CQSZACIVSA-N 1 1 325.376 0.428 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@@H](n2ccnn2)C1 ZINC001069988544 790282281 /nfs/dbraw/zinc/28/22/81/790282281.db2.gz YBMHBPVZLADAKP-HIFRSBDPSA-N 1 1 329.408 0.897 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@@H](n2ccnn2)C1 ZINC001069988544 790282284 /nfs/dbraw/zinc/28/22/84/790282284.db2.gz YBMHBPVZLADAKP-HIFRSBDPSA-N 1 1 329.408 0.897 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972198434 735777528 /nfs/dbraw/zinc/77/75/28/735777528.db2.gz GXCLWOMNVDOFGF-UKRRQHHQSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972198434 735777532 /nfs/dbraw/zinc/77/75/32/735777532.db2.gz GXCLWOMNVDOFGF-UKRRQHHQSA-N 1 1 345.378 0.411 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CNC(=O)c2ccsc2)CC1 ZINC001098566778 735859803 /nfs/dbraw/zinc/85/98/03/735859803.db2.gz ODOXYLYKSPUJQG-UHFFFAOYSA-N 1 1 349.456 0.396 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)c1 ZINC000972283715 735886520 /nfs/dbraw/zinc/88/65/20/735886520.db2.gz CJDIOWOKJCOBJX-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)[C@H]2C1 ZINC001083247387 735989028 /nfs/dbraw/zinc/98/90/28/735989028.db2.gz NJEYLCNUMMZIOT-UHOFOFEASA-N 1 1 331.420 0.397 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)[C@H]2C1 ZINC001083247387 735989031 /nfs/dbraw/zinc/98/90/31/735989031.db2.gz NJEYLCNUMMZIOT-UHOFOFEASA-N 1 1 331.420 0.397 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)[C@H]2C1 ZINC001083247387 735989036 /nfs/dbraw/zinc/98/90/36/735989036.db2.gz NJEYLCNUMMZIOT-UHOFOFEASA-N 1 1 331.420 0.397 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](OC)C(C)C ZINC001078213453 782505691 /nfs/dbraw/zinc/50/56/91/782505691.db2.gz PWTBOLSAFZYGFW-HRCADAONSA-N 1 1 337.464 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](OC)C(C)C ZINC001078213453 782505696 /nfs/dbraw/zinc/50/56/96/782505696.db2.gz PWTBOLSAFZYGFW-HRCADAONSA-N 1 1 337.464 0.766 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 ZINC000972386241 736055933 /nfs/dbraw/zinc/05/59/33/736055933.db2.gz ALVVGMIFHVETNV-RKVPGOIHSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 ZINC000972386241 736055939 /nfs/dbraw/zinc/05/59/39/736055939.db2.gz ALVVGMIFHVETNV-RKVPGOIHSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC001098569699 736082724 /nfs/dbraw/zinc/08/27/24/736082724.db2.gz ZALZOTXRCYUPDG-UHFFFAOYSA-N 1 1 332.404 0.265 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394176 736114062 /nfs/dbraw/zinc/11/40/62/736114062.db2.gz AASUHUARKSAFLQ-LPHOPBHVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394176 736114064 /nfs/dbraw/zinc/11/40/64/736114064.db2.gz AASUHUARKSAFLQ-LPHOPBHVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccncn3)C2)C1 ZINC000972395001 736118514 /nfs/dbraw/zinc/11/85/14/736118514.db2.gz VIKOGFAJTUQHRE-SFHVURJKSA-N 1 1 328.416 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccncn3)C2)C1 ZINC000972395001 736118518 /nfs/dbraw/zinc/11/85/18/736118518.db2.gz VIKOGFAJTUQHRE-SFHVURJKSA-N 1 1 328.416 0.736 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 ZINC000972407663 736137154 /nfs/dbraw/zinc/13/71/54/736137154.db2.gz GAVMRIASGYRLJT-MAUKXSAKSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 ZINC000972411374 736145767 /nfs/dbraw/zinc/14/57/67/736145767.db2.gz ZGSABUPKSIBVHD-MAUKXSAKSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 ZINC000972411374 736145768 /nfs/dbraw/zinc/14/57/68/736145768.db2.gz ZGSABUPKSIBVHD-MAUKXSAKSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972411251 736148947 /nfs/dbraw/zinc/14/89/47/736148947.db2.gz ZVICGRFGGYFTCV-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 ZINC000972421747 736166045 /nfs/dbraw/zinc/16/60/45/736166045.db2.gz IWPAAJZTLSZCBF-QZTJIDSGSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 ZINC000972421747 736166047 /nfs/dbraw/zinc/16/60/47/736166047.db2.gz IWPAAJZTLSZCBF-QZTJIDSGSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 ZINC000972430151 736183401 /nfs/dbraw/zinc/18/34/01/736183401.db2.gz AUBNTEDQPWOFEX-ROUUACIJSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 ZINC000972430151 736183403 /nfs/dbraw/zinc/18/34/03/736183403.db2.gz AUBNTEDQPWOFEX-ROUUACIJSA-N 1 1 333.432 0.229 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]32)cn1 ZINC001083253473 736262437 /nfs/dbraw/zinc/26/24/37/736262437.db2.gz QNVQNSPOVPQOHZ-FHLIZLRMSA-N 1 1 341.411 0.625 20 30 ECEDMO C=CCOCC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572365 736268980 /nfs/dbraw/zinc/26/89/80/736268980.db2.gz DWFIGIDYMOGTPL-UHFFFAOYSA-N 1 1 341.496 0.815 20 30 ECEDMO C=CCOCC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572365 736268982 /nfs/dbraw/zinc/26/89/82/736268982.db2.gz DWFIGIDYMOGTPL-UHFFFAOYSA-N 1 1 341.496 0.815 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccnn3C)C2)nn1 ZINC000972507532 736463628 /nfs/dbraw/zinc/46/36/28/736463628.db2.gz XJAHCTKFRLYXEZ-OAHLLOKOSA-N 1 1 343.435 0.587 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCCN(C)C3=O)C2)nn1 ZINC000972507594 736463833 /nfs/dbraw/zinc/46/38/33/736463833.db2.gz ZVBCWATXYSGCHH-ZFWWWQNUSA-N 1 1 346.435 0.231 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@]3(C2)CN(CC#N)CCO3)C1 ZINC000972516577 736525909 /nfs/dbraw/zinc/52/59/09/736525909.db2.gz APLDCRBXIIPTQM-FUHWJXTLSA-N 1 1 334.464 0.935 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)C1 ZINC000972518558 736538972 /nfs/dbraw/zinc/53/89/72/736538972.db2.gz JSDFONNAJQJRGX-LPHOPBHVSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)C1 ZINC000972518558 736538973 /nfs/dbraw/zinc/53/89/73/736538973.db2.gz JSDFONNAJQJRGX-LPHOPBHVSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cn3)C2)C1 ZINC000972520566 736547236 /nfs/dbraw/zinc/54/72/36/736547236.db2.gz SOAVLYVTARQHOP-IBGZPJMESA-N 1 1 343.427 0.959 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cn3)C2)C1 ZINC000972520566 736547240 /nfs/dbraw/zinc/54/72/40/736547240.db2.gz SOAVLYVTARQHOP-IBGZPJMESA-N 1 1 343.427 0.959 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC000972529200 736595569 /nfs/dbraw/zinc/59/55/69/736595569.db2.gz GWSRCBYCOBWISS-ZOBUZTSGSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC000972529200 736595571 /nfs/dbraw/zinc/59/55/71/736595571.db2.gz GWSRCBYCOBWISS-ZOBUZTSGSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972546018 736663450 /nfs/dbraw/zinc/66/34/50/736663450.db2.gz MBDPIOLUHNKHGP-QAPCUYQASA-N 1 1 335.448 0.925 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972546018 736663453 /nfs/dbraw/zinc/66/34/53/736663453.db2.gz MBDPIOLUHNKHGP-QAPCUYQASA-N 1 1 335.448 0.925 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001023320112 736680584 /nfs/dbraw/zinc/68/05/84/736680584.db2.gz RFGOSERZJRJHJG-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cncnc3)C2)C1=O ZINC001023325547 736686128 /nfs/dbraw/zinc/68/61/28/736686128.db2.gz JFNUZHNXVSBULY-GDBMZVCRSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3ncn(C)n3)C2)C1=O ZINC001023354334 736730328 /nfs/dbraw/zinc/73/03/28/736730328.db2.gz GAPSTEKXDYGFIG-ZIAGYGMSSA-N 1 1 346.435 0.044 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)COCCC)C1 ZINC001059846912 751375824 /nfs/dbraw/zinc/37/58/24/751375824.db2.gz HZUDXKYDHPSOML-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)COCCC)C1 ZINC001059846912 751375830 /nfs/dbraw/zinc/37/58/30/751375830.db2.gz HZUDXKYDHPSOML-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001023404842 736788944 /nfs/dbraw/zinc/78/89/44/736788944.db2.gz XFYBDMRJGUWBNF-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cnns2)C1 ZINC001023422400 736810742 /nfs/dbraw/zinc/81/07/42/736810742.db2.gz MGGFIJXTZJSFRA-HOCLYGCPSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cnns2)C1 ZINC001023422400 736810747 /nfs/dbraw/zinc/81/07/47/736810747.db2.gz MGGFIJXTZJSFRA-HOCLYGCPSA-N 1 1 347.488 0.964 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001023447462 736845586 /nfs/dbraw/zinc/84/55/86/736845586.db2.gz NZTZRLPLYLGNMJ-LBPRGKRZSA-N 1 1 339.417 0.392 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@@H](C)OC)CCO3)nn1 ZINC000972585352 736969982 /nfs/dbraw/zinc/96/99/82/736969982.db2.gz LGRJLQXTKKCTKM-PBHICJAKSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@@H](C)OC)CCO3)nn1 ZINC000972585352 736969989 /nfs/dbraw/zinc/96/99/89/736969989.db2.gz LGRJLQXTKKCTKM-PBHICJAKSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+]([C@H](C)COC)CCO3)nn1 ZINC000972585383 736970523 /nfs/dbraw/zinc/97/05/23/736970523.db2.gz LVTRDLQUAOQAQV-RHSMWYFYSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+]([C@H](C)COC)CCO3)nn1 ZINC000972585383 736970529 /nfs/dbraw/zinc/97/05/29/736970529.db2.gz LVTRDLQUAOQAQV-RHSMWYFYSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn(C)nn1)C2 ZINC001111517684 736998255 /nfs/dbraw/zinc/99/82/55/736998255.db2.gz IVOPFGJSTOJARS-OAGGEKHMSA-N 1 1 333.436 0.672 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(CCC=C)nn3)C2)C1 ZINC000972590967 737006604 /nfs/dbraw/zinc/00/66/04/737006604.db2.gz WXQQRVHONDJQOC-GOSISDBHSA-N 1 1 343.431 0.794 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(CCC=C)nn3)C2)C1 ZINC000972590967 737006610 /nfs/dbraw/zinc/00/66/10/737006610.db2.gz WXQQRVHONDJQOC-GOSISDBHSA-N 1 1 343.431 0.794 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCOC)CCO2 ZINC000972596746 737034374 /nfs/dbraw/zinc/03/43/74/737034374.db2.gz OJDGOWSQDVFHLC-BQFCYCMXSA-N 1 1 338.448 0.917 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCOC)CCO2 ZINC000972596746 737034377 /nfs/dbraw/zinc/03/43/77/737034377.db2.gz OJDGOWSQDVFHLC-BQFCYCMXSA-N 1 1 338.448 0.917 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001023605967 737066220 /nfs/dbraw/zinc/06/62/20/737066220.db2.gz NUILXVIBAJHWGC-LSDHHAIUSA-N 1 1 330.436 0.477 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001023625950 737108716 /nfs/dbraw/zinc/10/87/16/737108716.db2.gz RFJNXKXUDRLHDU-AWEZNQCLSA-N 1 1 326.462 0.663 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001023625950 737108720 /nfs/dbraw/zinc/10/87/20/737108720.db2.gz RFJNXKXUDRLHDU-AWEZNQCLSA-N 1 1 326.462 0.663 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001006441741 751388589 /nfs/dbraw/zinc/38/85/89/751388589.db2.gz DWXSXQKGVHSRFJ-UHFFFAOYSA-N 1 1 340.815 0.052 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccncn3)C2)C1=O ZINC001023658844 737158060 /nfs/dbraw/zinc/15/80/60/737158060.db2.gz VROLZOOHHJHTOK-HOCLYGCPSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633468 737178698 /nfs/dbraw/zinc/17/86/98/737178698.db2.gz FDDWIBBJVATSFH-APWZRJJASA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633468 737178699 /nfs/dbraw/zinc/17/86/99/737178699.db2.gz FDDWIBBJVATSFH-APWZRJJASA-N 1 1 347.459 0.572 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@H](C)O)CCO3)cn1 ZINC000972644217 737239123 /nfs/dbraw/zinc/23/91/23/737239123.db2.gz WEJRNGPEUGPHIG-KBXCAEBGSA-N 1 1 329.400 0.361 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@H](C)O)CCO3)cn1 ZINC000972644217 737239125 /nfs/dbraw/zinc/23/91/25/737239125.db2.gz WEJRNGPEUGPHIG-KBXCAEBGSA-N 1 1 329.400 0.361 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655985 737263373 /nfs/dbraw/zinc/26/33/73/737263373.db2.gz QSPIIBWANIQFAU-SJLPKXTDSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001023741284 737279826 /nfs/dbraw/zinc/27/98/26/737279826.db2.gz SKXMRMUIOWFDRZ-OAHLLOKOSA-N 1 1 328.416 0.930 20 30 ECEDMO CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972683732 737372653 /nfs/dbraw/zinc/37/26/53/737372653.db2.gz OVYPBTUMLUROPT-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972683732 737372657 /nfs/dbraw/zinc/37/26/57/737372657.db2.gz OVYPBTUMLUROPT-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3[nH]cnc3C)C2)C1=O ZINC001023784678 737376135 /nfs/dbraw/zinc/37/61/35/737376135.db2.gz YAEBXTHLQTZLRU-LSDHHAIUSA-N 1 1 345.447 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)cn1 ZINC000972756726 737597954 /nfs/dbraw/zinc/59/79/54/737597954.db2.gz OHBYIPJHILODDE-MRXNPFEDSA-N 1 1 326.400 0.442 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)cn1 ZINC000972756726 737597955 /nfs/dbraw/zinc/59/79/55/737597955.db2.gz OHBYIPJHILODDE-MRXNPFEDSA-N 1 1 326.400 0.442 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972792615 737682913 /nfs/dbraw/zinc/68/29/13/737682913.db2.gz BWOWTYIDQGLVIS-OAHLLOKOSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(CC)oc1C ZINC001114959518 737726703 /nfs/dbraw/zinc/72/67/03/737726703.db2.gz FBQFTMBGCCBUGF-KBNOKHGBSA-N 1 1 344.415 0.343 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(CC)oc1C ZINC001114959518 737726707 /nfs/dbraw/zinc/72/67/07/737726707.db2.gz FBQFTMBGCCBUGF-KBNOKHGBSA-N 1 1 344.415 0.343 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001024137270 737748895 /nfs/dbraw/zinc/74/88/95/737748895.db2.gz JOIKKMQHNYBFKT-OWCLPIDISA-N 1 1 349.475 0.905 20 30 ECEDMO C=CCC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039731645 737921181 /nfs/dbraw/zinc/92/11/81/737921181.db2.gz AUIBZKHLJXBPJC-KBXCAEBGSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001024511311 738041500 /nfs/dbraw/zinc/04/15/00/738041500.db2.gz FWRNWGDJDMMJJX-ZDUSSCGKSA-N 1 1 339.417 0.535 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001024531187 738067794 /nfs/dbraw/zinc/06/77/94/738067794.db2.gz OFVQECUVEVCIGQ-NSHDSACASA-N 1 1 325.390 0.145 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001024531187 738067798 /nfs/dbraw/zinc/06/77/98/738067798.db2.gz OFVQECUVEVCIGQ-NSHDSACASA-N 1 1 325.390 0.145 20 30 ECEDMO CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560680 738107223 /nfs/dbraw/zinc/10/72/23/738107223.db2.gz HXLMCRKDGFNCFY-ISXWCOSWSA-N 1 1 331.460 0.844 20 30 ECEDMO CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560680 738107226 /nfs/dbraw/zinc/10/72/26/738107226.db2.gz HXLMCRKDGFNCFY-ISXWCOSWSA-N 1 1 331.460 0.844 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCOCC3=O)C(C)(C)[C@H]21 ZINC001087288716 738122074 /nfs/dbraw/zinc/12/20/74/738122074.db2.gz AVUGUEBZMRTIAM-JLSDUUJJSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001024575556 738122709 /nfs/dbraw/zinc/12/27/09/738122709.db2.gz LBNBLHIWZGRBEX-KGLIPLIRSA-N 1 1 329.391 0.556 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@H]21 ZINC001087293070 738134859 /nfs/dbraw/zinc/13/48/59/738134859.db2.gz XHQZNUKVVUMTEC-KBMXLJTQSA-N 1 1 347.463 0.763 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CN3CCCCCC3=O)[C@H]2C1 ZINC001083269574 738163594 /nfs/dbraw/zinc/16/35/94/738163594.db2.gz KSMWXRKXVOGYTG-JKSUJKDBSA-N 1 1 333.432 0.324 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CN3CCCCCC3=O)[C@H]2C1 ZINC001083269574 738163596 /nfs/dbraw/zinc/16/35/96/738163596.db2.gz KSMWXRKXVOGYTG-JKSUJKDBSA-N 1 1 333.432 0.324 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001024635517 738189808 /nfs/dbraw/zinc/18/98/08/738189808.db2.gz GRAFZSDGJIYHOG-GXTWGEPZSA-N 1 1 349.410 0.920 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001024635517 738189811 /nfs/dbraw/zinc/18/98/11/738189811.db2.gz GRAFZSDGJIYHOG-GXTWGEPZSA-N 1 1 349.410 0.920 20 30 ECEDMO Cc1cc(NC[C@H]2CN(C(=O)CSCC#N)CCO2)nc(C)[nH+]1 ZINC001111934664 738193459 /nfs/dbraw/zinc/19/34/59/738193459.db2.gz GTIKDUSKGRDNIQ-ZDUSSCGKSA-N 1 1 335.433 0.990 20 30 ECEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001024644705 738197718 /nfs/dbraw/zinc/19/77/18/738197718.db2.gz VVPPHXBWAMKBNK-LLVKDONJSA-N 1 1 341.437 0.218 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001024686226 738219523 /nfs/dbraw/zinc/21/95/23/738219523.db2.gz YXFXLQBJYCMYEV-ZDUSSCGKSA-N 1 1 334.420 0.244 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CC(=O)NC1=O ZINC001087309007 738234721 /nfs/dbraw/zinc/23/47/21/738234721.db2.gz YTRYTFBSWFQFNL-UHOFOFEASA-N 1 1 348.447 0.720 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC(=O)NC(=O)C3)C(C)(C)[C@H]21 ZINC001087310561 738246800 /nfs/dbraw/zinc/24/68/00/738246800.db2.gz YTCZHQLCEUULPS-COXVUDFISA-N 1 1 345.443 0.668 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001069999537 790295639 /nfs/dbraw/zinc/29/56/39/790295639.db2.gz JNHOSFPKYOMMOA-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001025287261 739006510 /nfs/dbraw/zinc/00/65/10/739006510.db2.gz CJCDSVJUEPHPLH-HUUCEWRRSA-N 1 1 348.447 0.912 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025298286 739019273 /nfs/dbraw/zinc/01/92/73/739019273.db2.gz VXKYJOHPIQQAAK-ZIAGYGMSSA-N 1 1 334.420 0.570 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC000973294737 739058109 /nfs/dbraw/zinc/05/81/09/739058109.db2.gz DMLJZHQPHTWMPD-WKILWMFISA-N 1 1 337.383 0.645 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000973295409 739059891 /nfs/dbraw/zinc/05/98/91/739059891.db2.gz JWOBFCXYMHTAOF-ULQDDVLXSA-N 1 1 325.412 0.997 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3OCC[C@H]3C)CC2)C1=O ZINC000981985230 751413664 /nfs/dbraw/zinc/41/36/64/751413664.db2.gz MCWCRWNEYVANNX-PMPSAXMXSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3OCC[C@H]3C)CC2)C1=O ZINC000981985230 751413666 /nfs/dbraw/zinc/41/36/66/751413666.db2.gz MCWCRWNEYVANNX-PMPSAXMXSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000973333700 739107217 /nfs/dbraw/zinc/10/72/17/739107217.db2.gz LAXBMBCHQVSCIP-RBSFLKMASA-N 1 1 335.448 0.827 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000973333700 739107219 /nfs/dbraw/zinc/10/72/19/739107219.db2.gz LAXBMBCHQVSCIP-RBSFLKMASA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3OCC[C@H]3C)CC2)C1=O ZINC000981985229 751414267 /nfs/dbraw/zinc/41/42/67/751414267.db2.gz MCWCRWNEYVANNX-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3OCC[C@H]3C)CC2)C1=O ZINC000981985229 751414270 /nfs/dbraw/zinc/41/42/70/751414270.db2.gz MCWCRWNEYVANNX-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccnn2C)nn1 ZINC001028187279 751419302 /nfs/dbraw/zinc/41/93/02/751419302.db2.gz HHXSLCXQDQOYEY-OAHLLOKOSA-N 1 1 343.435 0.635 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCCN(C)C2=O)nn1 ZINC001028187182 751419481 /nfs/dbraw/zinc/41/94/81/751419481.db2.gz FBBCSZXKTIUVFO-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC000981989451 751421847 /nfs/dbraw/zinc/42/18/47/751421847.db2.gz DLDHHGFPIPINOH-ZACQAIPSSA-N 1 1 348.447 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2F)C1 ZINC000973410369 739223481 /nfs/dbraw/zinc/22/34/81/739223481.db2.gz IAHFVBKNAXJFDC-YDHLFZDLSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2F)C1 ZINC000973410369 739223483 /nfs/dbraw/zinc/22/34/83/739223483.db2.gz IAHFVBKNAXJFDC-YDHLFZDLSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000973410388 739224182 /nfs/dbraw/zinc/22/41/82/739224182.db2.gz JVZQTWSCCAZMNI-MTSZKFMLSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000973410388 739224188 /nfs/dbraw/zinc/22/41/88/739224188.db2.gz JVZQTWSCCAZMNI-MTSZKFMLSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC000973410856 739224544 /nfs/dbraw/zinc/22/45/44/739224544.db2.gz YPTWWBBOHWWCMG-JYJNAYRXSA-N 1 1 343.431 0.053 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC000973410856 739224547 /nfs/dbraw/zinc/22/45/47/739224547.db2.gz YPTWWBBOHWWCMG-JYJNAYRXSA-N 1 1 343.431 0.053 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3noc4c3COCC4)[C@H]2C1 ZINC001083280274 739258703 /nfs/dbraw/zinc/25/87/03/739258703.db2.gz LLTUWHMNTQZPPN-DZGCQCFKSA-N 1 1 331.372 0.296 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3noc4c3COCC4)[C@H]2C1 ZINC001083280274 739258707 /nfs/dbraw/zinc/25/87/07/739258707.db2.gz LLTUWHMNTQZPPN-DZGCQCFKSA-N 1 1 331.372 0.296 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC000973485019 739379231 /nfs/dbraw/zinc/37/92/31/739379231.db2.gz DCCKTWYBZIZVQQ-DTZQCDIJSA-N 1 1 340.427 0.638 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@@H+]([C@@H](C)C(N)=O)C3)c1 ZINC000982002230 751443623 /nfs/dbraw/zinc/44/36/23/751443623.db2.gz MMXZNXITTHJMLN-ZDUSSCGKSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H](C)C(N)=O)C3)c1 ZINC000982002230 751443625 /nfs/dbraw/zinc/44/36/25/751443625.db2.gz MMXZNXITTHJMLN-ZDUSSCGKSA-N 1 1 326.400 0.475 20 30 ECEDMO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001104728392 739554454 /nfs/dbraw/zinc/55/44/54/739554454.db2.gz ORPDBALEHULGMB-LLVKDONJSA-N 1 1 343.391 0.392 20 30 ECEDMO C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001104728047 739554789 /nfs/dbraw/zinc/55/47/89/739554789.db2.gz DMRGRVWNYMTMEB-NSHDSACASA-N 1 1 343.391 0.970 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000988015638 751457617 /nfs/dbraw/zinc/45/76/17/751457617.db2.gz RHXJVGHAAVTLKU-ZIAGYGMSSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001025467703 739610266 /nfs/dbraw/zinc/61/02/66/739610266.db2.gz CHJKWCLGJNODTQ-VXGBXAGGSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001025470487 739626273 /nfs/dbraw/zinc/62/62/73/739626273.db2.gz YJHDGYFQFBSKPH-HZPDHXFCSA-N 1 1 345.443 0.958 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(=O)NC)C2)c1 ZINC001025527896 739691025 /nfs/dbraw/zinc/69/10/25/739691025.db2.gz NJLUEZIYSJYNNR-DZGCQCFKSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001025545217 739706525 /nfs/dbraw/zinc/70/65/25/739706525.db2.gz IVZGIXCBYRRMOA-UKRRQHHQSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001025545217 739706528 /nfs/dbraw/zinc/70/65/28/739706528.db2.gz IVZGIXCBYRRMOA-UKRRQHHQSA-N 1 1 326.462 0.661 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001025545115 739706743 /nfs/dbraw/zinc/70/67/43/739706743.db2.gz HAKAZFFJQZYLNU-KBPBESRZSA-N 1 1 348.447 0.490 20 30 ECEDMO COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001025705354 739883437 /nfs/dbraw/zinc/88/34/37/739883437.db2.gz MPYJKCKTMAPNOV-SMLCLMEVSA-N 1 1 339.395 0.914 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(F)F)C1=O ZINC001025765300 739931799 /nfs/dbraw/zinc/93/17/99/739931799.db2.gz CDBFHDFBWCRKSC-ARFNZGECSA-N 1 1 339.386 0.721 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC000982028466 751494616 /nfs/dbraw/zinc/49/46/16/751494616.db2.gz AODGWAVOOUILSG-AWEZNQCLSA-N 1 1 328.420 0.183 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC000982029293 751497345 /nfs/dbraw/zinc/49/73/45/751497345.db2.gz WBKAEVLITLBNKI-OAHLLOKOSA-N 1 1 342.447 0.573 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001068463651 790319444 /nfs/dbraw/zinc/31/94/44/790319444.db2.gz KCLWUHWCIHPHPQ-HOTGVXAUSA-N 1 1 347.459 0.427 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C2)nn1 ZINC001098605419 740288873 /nfs/dbraw/zinc/28/88/73/740288873.db2.gz ZCBOAEKCDVYMJW-DOMZBBRYSA-N 1 1 334.424 0.242 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083288296 740298056 /nfs/dbraw/zinc/29/80/56/740298056.db2.gz XPNUJZDVDWVDIH-DLBZAZTESA-N 1 1 341.411 0.263 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083288296 740298059 /nfs/dbraw/zinc/29/80/59/740298059.db2.gz XPNUJZDVDWVDIH-DLBZAZTESA-N 1 1 341.411 0.263 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)c1 ZINC001087389020 740317145 /nfs/dbraw/zinc/31/71/45/740317145.db2.gz CWYLYCAJXOVQLV-HPBDAGMYSA-N 1 1 325.412 0.838 20 30 ECEDMO C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001167729320 740465409 /nfs/dbraw/zinc/46/54/09/740465409.db2.gz MMMZNJUBRJXDQG-CQSZACIVSA-N 1 1 347.463 0.988 20 30 ECEDMO C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001167729320 740465411 /nfs/dbraw/zinc/46/54/11/740465411.db2.gz MMMZNJUBRJXDQG-CQSZACIVSA-N 1 1 347.463 0.988 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)C)C[C@H]1C(F)(F)F ZINC001112048992 740481135 /nfs/dbraw/zinc/48/11/35/740481135.db2.gz ULJQRPYMKAVGJL-QJPTWQEYSA-N 1 1 333.354 0.759 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001111779619 740629784 /nfs/dbraw/zinc/62/97/84/740629784.db2.gz HKXVTGRURISJJA-OVWQWFNUSA-N 1 1 336.432 0.411 20 30 ECEDMO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)CN3CCOCC3)C[C@H]12 ZINC001026293835 740766282 /nfs/dbraw/zinc/76/62/82/740766282.db2.gz KXNXTRUJNDICTE-IXDOHACOSA-N 1 1 333.476 0.805 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)OC)C[C@H]1C(F)(F)F ZINC001112061307 740851756 /nfs/dbraw/zinc/85/17/56/740851756.db2.gz SDCRHRSTWXFALN-UTUOFQBUSA-N 1 1 349.353 0.140 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]ccc2C)C1 ZINC000974082774 740906279 /nfs/dbraw/zinc/90/62/79/740906279.db2.gz KIQLWJXGPRHGTN-ZNMIVQPWSA-N 1 1 328.416 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]ccc2C)C1 ZINC000974082774 740906281 /nfs/dbraw/zinc/90/62/81/740906281.db2.gz KIQLWJXGPRHGTN-ZNMIVQPWSA-N 1 1 328.416 0.798 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000974146613 741003899 /nfs/dbraw/zinc/00/38/99/741003899.db2.gz HFCQTLQRFGUXLM-KURKYZTESA-N 1 1 339.439 0.926 20 30 ECEDMO CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001104950599 741018253 /nfs/dbraw/zinc/01/82/53/741018253.db2.gz WZDOEYYQMBDBRV-ZIAGYGMSSA-N 1 1 330.436 0.665 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc[nH]3)C2)nn1 ZINC001098615239 741063244 /nfs/dbraw/zinc/06/32/44/741063244.db2.gz NMWIMPHIDAXNMP-OAHLLOKOSA-N 1 1 344.419 0.986 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000974211993 741112163 /nfs/dbraw/zinc/11/21/63/741112163.db2.gz BNTAXTRFDUYMNF-XUWVNRHRSA-N 1 1 347.459 0.969 20 30 ECEDMO CC#CC[N@@H+]1CCCC2(CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC000982116685 751610270 /nfs/dbraw/zinc/61/02/70/751610270.db2.gz QIHXNSNPTUEZQQ-UHFFFAOYSA-N 1 1 346.387 0.458 20 30 ECEDMO N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001059857292 751613611 /nfs/dbraw/zinc/61/36/11/751613611.db2.gz WZVMQVASFKNCLF-FZKCQIBNSA-N 1 1 341.415 0.876 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001059857337 751613634 /nfs/dbraw/zinc/61/36/34/751613634.db2.gz ZDIAITZQHCZIGO-VVLHAWIVSA-N 1 1 341.415 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ncccn2)C1=O ZINC001028219203 751623950 /nfs/dbraw/zinc/62/39/50/751623950.db2.gz YGULLANQXAWKOJ-KBPBESRZSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ncccn2)C1=O ZINC001028219203 751623957 /nfs/dbraw/zinc/62/39/57/751623957.db2.gz YGULLANQXAWKOJ-KBPBESRZSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCOCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112079665 741338049 /nfs/dbraw/zinc/33/80/49/741338049.db2.gz SDWGAACHAUNSKC-GHMZBOCLSA-N 1 1 337.342 0.433 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(-n4cnnn4)cc3)C2)C1 ZINC000982141601 751636900 /nfs/dbraw/zinc/63/69/00/751636900.db2.gz KSXXKPPSCVIFFW-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](Nc2ccc(C#N)nn2)C(C)C)C1 ZINC001105188577 741455582 /nfs/dbraw/zinc/45/55/82/741455582.db2.gz FAVUWBOIGRTHQG-CABCVRRESA-N 1 1 346.435 0.622 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](Nc2ccc(C#N)nn2)C(C)C)C1 ZINC001105188577 741455585 /nfs/dbraw/zinc/45/55/85/741455585.db2.gz FAVUWBOIGRTHQG-CABCVRRESA-N 1 1 346.435 0.622 20 30 ECEDMO C#CCCCC(=O)N1CC(n2cc(C[NH2+]CCOCCOC)nn2)C1 ZINC001105225089 741506277 /nfs/dbraw/zinc/50/62/77/741506277.db2.gz JGSYFYZXMZWQIK-UHFFFAOYSA-N 1 1 349.435 0.218 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1)OCC ZINC001105253797 741566984 /nfs/dbraw/zinc/56/69/84/741566984.db2.gz FBCULRDNPVLGJR-OAHLLOKOSA-N 1 1 337.424 0.115 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105264928 741603182 /nfs/dbraw/zinc/60/31/82/741603182.db2.gz ULKIHROKKUJCJE-CQSZACIVSA-N 1 1 331.424 0.149 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCc4cncn4C3)C2)nn1 ZINC001105272265 741617254 /nfs/dbraw/zinc/61/72/54/741617254.db2.gz DWIMPDKSPBSHKN-ZDUSSCGKSA-N 1 1 341.419 0.396 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCc4cncn4C3)C2)nn1 ZINC001105272264 741617345 /nfs/dbraw/zinc/61/73/45/741617345.db2.gz DWIMPDKSPBSHKN-CYBMUJFWSA-N 1 1 341.419 0.396 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCn4nccc43)C2)nn1 ZINC001105272522 741617972 /nfs/dbraw/zinc/61/79/72/741617972.db2.gz MPISXIBYHSQHPC-OAHLLOKOSA-N 1 1 341.419 0.711 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cccnc3)C2)nn1 ZINC001105276890 741627776 /nfs/dbraw/zinc/62/77/76/741627776.db2.gz WWQUJMJVMYKZAR-UHFFFAOYSA-N 1 1 326.404 0.965 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3cc(F)c[nH]3)C2)nn1 ZINC001105285450 741645509 /nfs/dbraw/zinc/64/55/09/741645509.db2.gz ODDCULCSQMHGGO-UHFFFAOYSA-N 1 1 348.382 0.735 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)nn1 ZINC001105292522 741656989 /nfs/dbraw/zinc/65/69/89/741656989.db2.gz SNUUFOSQDNXNNH-HNNXBMFYSA-N 1 1 345.407 0.058 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3cnco3)C2)nn1 ZINC001105294886 741666815 /nfs/dbraw/zinc/66/68/15/741666815.db2.gz KXXATOTWFXEYSJ-UHFFFAOYSA-N 1 1 332.364 0.255 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1ccc(C#N)nn1 ZINC001105302453 741695201 /nfs/dbraw/zinc/69/52/01/741695201.db2.gz LXMZCMMYHMIHPK-VHDGCEQUSA-N 1 1 346.435 0.620 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1ccc(C#N)nn1 ZINC001105302453 741695205 /nfs/dbraw/zinc/69/52/05/741695205.db2.gz LXMZCMMYHMIHPK-VHDGCEQUSA-N 1 1 346.435 0.620 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001058729524 741733423 /nfs/dbraw/zinc/73/34/23/741733423.db2.gz MGFMPVNAAZRGIK-YOEHRIQHSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C[N@H+]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000982155863 751664293 /nfs/dbraw/zinc/66/42/93/751664293.db2.gz CYETUQYSLJJNGC-UHFFFAOYSA-N 1 1 334.424 0.289 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC000982157425 751665411 /nfs/dbraw/zinc/66/54/11/751665411.db2.gz QXAQKSDLZRSHEC-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974470835 741776019 /nfs/dbraw/zinc/77/60/19/741776019.db2.gz CSRDTRMSJBANJP-IAQYHMDHSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974470835 741776022 /nfs/dbraw/zinc/77/60/22/741776022.db2.gz CSRDTRMSJBANJP-IAQYHMDHSA-N 1 1 343.431 0.994 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(n3cc(C[NH2+]C[C@@H](O)COC)nn3)C2)C1 ZINC001105324076 741790851 /nfs/dbraw/zinc/79/08/51/741790851.db2.gz QTPNRLWJPUUQAJ-OAHLLOKOSA-N 1 1 349.435 0.115 20 30 ECEDMO C=CCC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001058732912 741826886 /nfs/dbraw/zinc/82/68/86/741826886.db2.gz RIKGOWRIVMAWRF-OAHLLOKOSA-N 1 1 337.464 0.622 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)nn1 ZINC001105331630 741842147 /nfs/dbraw/zinc/84/21/47/741842147.db2.gz ITDHFMOHDLIRDV-JKSUJKDBSA-N 1 1 341.419 0.474 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974601598 741924305 /nfs/dbraw/zinc/92/43/05/741924305.db2.gz KGMZDJSZNZBQHR-CYBMUJFWSA-N 1 1 345.432 0.633 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974601598 741924308 /nfs/dbraw/zinc/92/43/08/741924308.db2.gz KGMZDJSZNZBQHR-CYBMUJFWSA-N 1 1 345.432 0.633 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)CC1 ZINC001087413235 741926257 /nfs/dbraw/zinc/92/62/57/741926257.db2.gz AEYSFBXFNCEFQW-MANSERQUSA-N 1 1 345.487 0.493 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)CC1 ZINC001087413235 741926259 /nfs/dbraw/zinc/92/62/59/741926259.db2.gz AEYSFBXFNCEFQW-MANSERQUSA-N 1 1 345.487 0.493 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C(C)(C)C1 ZINC000974623482 741948906 /nfs/dbraw/zinc/94/89/06/741948906.db2.gz ROMICEFQMSNCKI-ZDUSSCGKSA-N 1 1 332.452 0.821 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001026888323 742046000 /nfs/dbraw/zinc/04/60/00/742046000.db2.gz DADPCSLHIFXBOM-ZDUSSCGKSA-N 1 1 329.408 0.450 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc(OC)cc(OC)n2)C(C)(C)C1 ZINC000974733224 742128573 /nfs/dbraw/zinc/12/85/73/742128573.db2.gz RTIGWUFEQDUXKJ-GFCCVEGCSA-N 1 1 332.404 0.957 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(OC)cc(OC)n2)C(C)(C)C1 ZINC000974733224 742128575 /nfs/dbraw/zinc/12/85/75/742128575.db2.gz RTIGWUFEQDUXKJ-GFCCVEGCSA-N 1 1 332.404 0.957 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974738605 742137854 /nfs/dbraw/zinc/13/78/54/742137854.db2.gz CNWRDSKYIBDZAA-QWHCGFSZSA-N 1 1 331.420 0.396 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974768807 742159955 /nfs/dbraw/zinc/15/99/55/742159955.db2.gz UYYRMKOOUJJGFB-LLVKDONJSA-N 1 1 327.406 0.553 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C(C)(C)C1 ZINC000974773617 742167763 /nfs/dbraw/zinc/16/77/63/742167763.db2.gz LGUPFCSZGXQMMF-INIZCTEOSA-N 1 1 345.443 0.958 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000974791386 742194671 /nfs/dbraw/zinc/19/46/71/742194671.db2.gz PXZISXJOJJXTGZ-AWEZNQCLSA-N 1 1 334.420 0.516 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2cnc3c(c2)nnn3C)C(C)(C)C1 ZINC000974827302 742227350 /nfs/dbraw/zinc/22/73/50/742227350.db2.gz PYZCRZCNWHTBAH-AWEZNQCLSA-N 1 1 326.404 0.827 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C(C)(C)C1 ZINC000974876924 742280797 /nfs/dbraw/zinc/28/07/97/742280797.db2.gz JZDDPCZFUXLNCZ-HUUCEWRRSA-N 1 1 329.448 0.999 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C(C)(C)C1 ZINC000974888639 742307915 /nfs/dbraw/zinc/30/79/15/742307915.db2.gz XAQDVOJMGFPFLB-HIFRSBDPSA-N 1 1 330.432 0.997 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C(C)(C)C1 ZINC000974888639 742307918 /nfs/dbraw/zinc/30/79/18/742307918.db2.gz XAQDVOJMGFPFLB-HIFRSBDPSA-N 1 1 330.432 0.997 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C(C)(C)C1 ZINC000974897339 742330185 /nfs/dbraw/zinc/33/01/85/742330185.db2.gz ULNDSSPKOUUIPD-CQSZACIVSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@H](C(N)=O)C3)C2)nn1 ZINC001105337150 742429123 /nfs/dbraw/zinc/42/91/23/742429123.db2.gz UBNCNMYQIRTFCZ-QWHCGFSZSA-N 1 1 346.435 0.229 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3n[nH]cc3F)C(C)(C)C2)C1=O ZINC000975013284 742446763 /nfs/dbraw/zinc/44/67/63/742446763.db2.gz GNWNBNJDMAKCBZ-OLZOCXBDSA-N 1 1 349.410 0.776 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3n[nH]cc3F)C(C)(C)C2)C1=O ZINC000975013284 742446766 /nfs/dbraw/zinc/44/67/66/742446766.db2.gz GNWNBNJDMAKCBZ-OLZOCXBDSA-N 1 1 349.410 0.776 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)OC)C[C@@]3(C)C2)C1=O ZINC000982226051 751730268 /nfs/dbraw/zinc/73/02/68/751730268.db2.gz XGQRUETYCVRIEZ-RGCFKVTRSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000982227248 751731257 /nfs/dbraw/zinc/73/12/57/751731257.db2.gz MIWDKJLCHQHKOW-UHFFFAOYSA-N 1 1 334.420 0.427 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000975049987 742472884 /nfs/dbraw/zinc/47/28/84/742472884.db2.gz SRPHRPDWBDWZFE-IKGGRYGDSA-N 1 1 339.439 0.986 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000975049987 742472885 /nfs/dbraw/zinc/47/28/85/742472885.db2.gz SRPHRPDWBDWZFE-IKGGRYGDSA-N 1 1 339.439 0.986 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(CCC)CC1 ZINC001058749310 742509290 /nfs/dbraw/zinc/50/92/90/742509290.db2.gz MQVPZNITXYZPSN-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(CCC)CC1 ZINC001058749310 742509293 /nfs/dbraw/zinc/50/92/93/742509293.db2.gz MQVPZNITXYZPSN-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nccs2)[C@H]1C ZINC001020517220 751744843 /nfs/dbraw/zinc/74/48/43/751744843.db2.gz COJAOFOMQCLROP-IHRRRGAJSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nccs2)[C@H]1C ZINC001020517220 751744847 /nfs/dbraw/zinc/74/48/47/751744847.db2.gz COJAOFOMQCLROP-IHRRRGAJSA-N 1 1 346.456 0.960 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cn(CC)nn3)C2)cn1 ZINC001028935374 742914509 /nfs/dbraw/zinc/91/45/09/742914509.db2.gz BLKYXQBIKHJJJQ-AWEZNQCLSA-N 1 1 338.415 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3cn(CC)nn3)C2)cn1 ZINC001028935374 742914513 /nfs/dbraw/zinc/91/45/13/742914513.db2.gz BLKYXQBIKHJJJQ-AWEZNQCLSA-N 1 1 338.415 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)nc1 ZINC001028935937 742916936 /nfs/dbraw/zinc/91/69/36/742916936.db2.gz NNRVJYCAEKWWHU-GDBMZVCRSA-N 1 1 326.400 0.393 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001028937037 742922153 /nfs/dbraw/zinc/92/21/53/742922153.db2.gz BFGAPZWBJQGFOO-ZIAGYGMSSA-N 1 1 340.427 0.782 20 30 ECEDMO N#Cc1cc(C(=O)NCC[NH2+]Cc2nncn2-c2ccccc2)c[nH]1 ZINC001125988424 742933086 /nfs/dbraw/zinc/93/30/86/742933086.db2.gz VVAKZXQJHXQPPP-UHFFFAOYSA-N 1 1 335.371 0.987 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccn(C)n3)C2)C1=O ZINC001028982202 743071453 /nfs/dbraw/zinc/07/14/53/743071453.db2.gz HADJEYIHTQNYNT-DZGCQCFKSA-N 1 1 331.420 0.259 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)c1nc(-c2ccco2)no1 ZINC001125998156 743156218 /nfs/dbraw/zinc/15/62/18/743156218.db2.gz LDMNLQHDWSPECB-NSHDSACASA-N 1 1 345.359 0.236 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001087467093 743164107 /nfs/dbraw/zinc/16/41/07/743164107.db2.gz DQKRLKLJAKVXDQ-OWCLPIDISA-N 1 1 346.406 0.967 20 30 ECEDMO CC[NH+]=C(NC[C@H](C)N1CCN(C)CC1)N1CC[C@]2(CCOC2)C1 ZINC000261959024 743183315 /nfs/dbraw/zinc/18/33/15/743183315.db2.gz JRBMKVJNQJTZJQ-WMZOPIPTSA-N 1 1 337.512 0.700 20 30 ECEDMO CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001112143209 743191111 /nfs/dbraw/zinc/19/11/11/743191111.db2.gz NRFHSKPDNQCXKO-GHMZBOCLSA-N 1 1 346.353 0.795 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@H+](C)C3CCC3)C2)nc1 ZINC000997088170 743216376 /nfs/dbraw/zinc/21/63/76/743216376.db2.gz NKDIIPXTQWOHOT-UHFFFAOYSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC000997093873 743226106 /nfs/dbraw/zinc/22/61/06/743226106.db2.gz RTTQQSLBFPIOOG-DOMZBBRYSA-N 1 1 326.400 0.201 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)COC ZINC000983484266 743256878 /nfs/dbraw/zinc/25/68/78/743256878.db2.gz NYUHODYQUQGYFE-PMPSAXMXSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)COC ZINC000983484266 743256885 /nfs/dbraw/zinc/25/68/85/743256885.db2.gz NYUHODYQUQGYFE-PMPSAXMXSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000997124690 743263270 /nfs/dbraw/zinc/26/32/70/743263270.db2.gz IGWXYSRVOYQBDP-HIFRSBDPSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC000975854278 743356479 /nfs/dbraw/zinc/35/64/79/743356479.db2.gz OPUKYOYVTLDQLQ-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC000975854278 743356496 /nfs/dbraw/zinc/35/64/96/743356496.db2.gz OPUKYOYVTLDQLQ-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H](CNc1ccnc(C#N)n1)C(C)(C)C ZINC001126030757 743361495 /nfs/dbraw/zinc/36/14/95/743361495.db2.gz XASQNJUXFTWOAN-ZDUSSCGKSA-N 1 1 341.419 0.918 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CCN([C@@H](C)C(N)=O)CC2)CC1 ZINC000997435723 743615604 /nfs/dbraw/zinc/61/56/04/743615604.db2.gz ZTJUOFGXTCWNGY-CABCVRRESA-N 1 1 348.491 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cocn1 ZINC000997768473 743799616 /nfs/dbraw/zinc/79/96/16/743799616.db2.gz FQWOMCXBOHPRRR-VRKREXBASA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cocn1 ZINC000997768473 743799620 /nfs/dbraw/zinc/79/96/20/743799620.db2.gz FQWOMCXBOHPRRR-VRKREXBASA-N 1 1 342.399 0.634 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)Cc3ccon3)C2)C1=O ZINC001027338469 743808612 /nfs/dbraw/zinc/80/86/12/743808612.db2.gz KMBBCEYGCHUQOT-HOTGVXAUSA-N 1 1 346.431 0.927 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976366306 743861226 /nfs/dbraw/zinc/86/12/26/743861226.db2.gz FFTSRJDLJWYKNA-VIKVFOODSA-N 1 1 338.371 0.278 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027354631 743916600 /nfs/dbraw/zinc/91/66/00/743916600.db2.gz HZNCFCFWCLYVDA-AWEZNQCLSA-N 1 1 344.419 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000998154267 744011423 /nfs/dbraw/zinc/01/14/23/744011423.db2.gz IPSLXBWSWCSIMW-LSDHHAIUSA-N 1 1 341.477 0.357 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000998197246 744044618 /nfs/dbraw/zinc/04/46/18/744044618.db2.gz QPXJJAAHAAZOJW-CQSZACIVSA-N 1 1 346.431 0.826 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC(C[NH2+][C@H]3CCNC3=O)CC2)CC1 ZINC000998288370 744100906 /nfs/dbraw/zinc/10/09/06/744100906.db2.gz UWTCRFSNYJYGPM-KRWDZBQOSA-N 1 1 346.475 0.048 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000976609004 744140490 /nfs/dbraw/zinc/14/04/90/744140490.db2.gz YVCMTHAWZOMGHW-QXSJWSMHSA-N 1 1 349.475 0.882 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000976609004 744140495 /nfs/dbraw/zinc/14/04/95/744140495.db2.gz YVCMTHAWZOMGHW-QXSJWSMHSA-N 1 1 349.475 0.882 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001027409625 744210556 /nfs/dbraw/zinc/21/05/56/744210556.db2.gz MLESWDUXRJYKLX-KBPBESRZSA-N 1 1 329.404 0.319 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@]3(C)CCOC3)C[C@H]21 ZINC000976741320 744276843 /nfs/dbraw/zinc/27/68/43/744276843.db2.gz QEFWYZHPNIJLIT-POORBHPNSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@]3(C)CCOC3)C[C@H]21 ZINC000976741320 744276845 /nfs/dbraw/zinc/27/68/45/744276845.db2.gz QEFWYZHPNIJLIT-POORBHPNSA-N 1 1 345.443 0.084 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000998750705 744314560 /nfs/dbraw/zinc/31/45/60/744314560.db2.gz FMBCHIOFXOJFRW-GHMZBOCLSA-N 1 1 343.391 0.309 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC ZINC001028249699 751921251 /nfs/dbraw/zinc/92/12/51/751921251.db2.gz DFNQOJZNAWRWNZ-ZIAGYGMSSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC ZINC001028249699 751921256 /nfs/dbraw/zinc/92/12/56/751921256.db2.gz DFNQOJZNAWRWNZ-ZIAGYGMSSA-N 1 1 346.431 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]nc1C ZINC000976934969 744490265 /nfs/dbraw/zinc/49/02/65/744490265.db2.gz WKPSJZNQSDOELY-XUWVNRHRSA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]nc1C ZINC000976934969 744490268 /nfs/dbraw/zinc/49/02/68/744490268.db2.gz WKPSJZNQSDOELY-XUWVNRHRSA-N 1 1 341.415 0.002 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000999132564 744527134 /nfs/dbraw/zinc/52/71/34/744527134.db2.gz GSTBKCWWLKHKJR-OAHLLOKOSA-N 1 1 330.436 0.967 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001027469172 744650843 /nfs/dbraw/zinc/65/08/43/744650843.db2.gz VSLNHCQRBYQWJL-LBPRGKRZSA-N 1 1 327.406 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nc(C)no2)C1 ZINC000999390768 744671128 /nfs/dbraw/zinc/67/11/28/744671128.db2.gz HRBLPEKNNVCQPF-CABCVRRESA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nc(C)no2)C1 ZINC000999390768 744671130 /nfs/dbraw/zinc/67/11/30/744671130.db2.gz HRBLPEKNNVCQPF-CABCVRRESA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001027478604 744718997 /nfs/dbraw/zinc/71/89/97/744718997.db2.gz VZBQPCSMQZHFRT-LLVKDONJSA-N 1 1 325.390 0.097 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+](C[C@@H]3CCOC3)CC2(C)C)nn1 ZINC000977274367 744829296 /nfs/dbraw/zinc/82/92/96/744829296.db2.gz RKYOZFFILLJKRG-ZFWWWQNUSA-N 1 1 333.436 0.941 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3nc(C)c[nH]3)C(C)(C)C2)C1=O ZINC000977287251 744843365 /nfs/dbraw/zinc/84/33/65/744843365.db2.gz BQOLPBONPRPGDX-KBPBESRZSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3nc(C)c[nH]3)C(C)(C)C2)C1=O ZINC000977287251 744843368 /nfs/dbraw/zinc/84/33/68/744843368.db2.gz BQOLPBONPRPGDX-KBPBESRZSA-N 1 1 345.447 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)C1=COCCO1 ZINC000977311587 744854247 /nfs/dbraw/zinc/85/42/47/744854247.db2.gz NOOJWWNGPOOXCF-CABCVRRESA-N 1 1 347.415 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)C1=COCCO1 ZINC000977311587 744854249 /nfs/dbraw/zinc/85/42/49/744854249.db2.gz NOOJWWNGPOOXCF-CABCVRRESA-N 1 1 347.415 0.032 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3ccncn3)C(C)(C)C2)C1=O ZINC000977372139 744899482 /nfs/dbraw/zinc/89/94/82/744899482.db2.gz RLMAVTOANYYEPS-CABCVRRESA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3ccncn3)C(C)(C)C2)C1=O ZINC000977372139 744899484 /nfs/dbraw/zinc/89/94/84/744899484.db2.gz RLMAVTOANYYEPS-CABCVRRESA-N 1 1 343.431 0.704 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C(C)(C)C1 ZINC000977365128 744906245 /nfs/dbraw/zinc/90/62/45/744906245.db2.gz DIPFSUOOROFOBG-CYBMUJFWSA-N 1 1 332.404 0.589 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC000999901220 745036216 /nfs/dbraw/zinc/03/62/16/745036216.db2.gz FBAUJUYQRNUSOD-CXAGYDPISA-N 1 1 325.412 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccnn1C ZINC000977466561 745053000 /nfs/dbraw/zinc/05/30/00/745053000.db2.gz ZGDISIOQZFLPSF-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccnn1C ZINC000977466561 745053005 /nfs/dbraw/zinc/05/30/05/745053005.db2.gz ZGDISIOQZFLPSF-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)cn3)nn2)C1 ZINC000999953037 745090490 /nfs/dbraw/zinc/09/04/90/745090490.db2.gz VKTPYFHMNHDQCI-CQSZACIVSA-N 1 1 327.392 0.739 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ncoc3C)nn2)C1 ZINC000999957582 745097874 /nfs/dbraw/zinc/09/78/74/745097874.db2.gz WBAZHCHVHNYUGP-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)nc3C)nn2)C1 ZINC000999963524 745107034 /nfs/dbraw/zinc/10/70/34/745107034.db2.gz RNHZQICIODTOIH-CQSZACIVSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)n(C)n3)nn2)C1 ZINC000999963494 745107146 /nfs/dbraw/zinc/10/71/46/745107146.db2.gz RBXHVNRFIABYDT-CQSZACIVSA-N 1 1 329.408 0.683 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC2(C)C)nc1 ZINC000977517954 745110282 /nfs/dbraw/zinc/11/02/82/745110282.db2.gz VSHQCEPQICSMSO-MRXNPFEDSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)CC2(C)C)nc1 ZINC000977517954 745110285 /nfs/dbraw/zinc/11/02/85/745110285.db2.gz VSHQCEPQICSMSO-MRXNPFEDSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CCn3cncn3)CC2(C)C)cn1 ZINC000977519867 745111952 /nfs/dbraw/zinc/11/19/52/745111952.db2.gz ZGQRFYYARPGKGV-INIZCTEOSA-N 1 1 338.415 0.795 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cccnc3)[C@@H](O)C2)cc1 ZINC001083407776 745112374 /nfs/dbraw/zinc/11/23/74/745112374.db2.gz CZPYDNKOWXOLAK-MSOLQXFVSA-N 1 1 336.395 0.857 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3cccnc3)[C@@H](O)C2)cc1 ZINC001083407776 745112378 /nfs/dbraw/zinc/11/23/78/745112378.db2.gz CZPYDNKOWXOLAK-MSOLQXFVSA-N 1 1 336.395 0.857 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)n(C)n3)nn2)C1 ZINC000999969132 745115064 /nfs/dbraw/zinc/11/50/64/745115064.db2.gz VMRBBZVUHGKXQB-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC000999974696 745123814 /nfs/dbraw/zinc/12/38/14/745123814.db2.gz LWDRPWCEXIFVSM-HNNXBMFYSA-N 1 1 325.376 0.841 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)nn2)C1 ZINC000999985405 745138649 /nfs/dbraw/zinc/13/86/49/745138649.db2.gz BRSSVODOUPMBAF-ULQDDVLXSA-N 1 1 345.447 0.835 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC(=O)N(C)C3)nn2)C1 ZINC000999986666 745140775 /nfs/dbraw/zinc/14/07/75/745140775.db2.gz JVBQTJRICQFOJE-HIFRSBDPSA-N 1 1 346.435 0.196 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000977528131 745148133 /nfs/dbraw/zinc/14/81/33/745148133.db2.gz UZNCCUBSKOYFES-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000977528131 745148137 /nfs/dbraw/zinc/14/81/37/745148137.db2.gz UZNCCUBSKOYFES-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc4n(n3)CCO4)nn2)C1 ZINC000999993337 745150849 /nfs/dbraw/zinc/15/08/49/745150849.db2.gz RYECWYAYIRWSJB-ZDUSSCGKSA-N 1 1 343.391 0.230 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CC=C)C2)nn1 ZINC000999999021 745160350 /nfs/dbraw/zinc/16/03/50/745160350.db2.gz WLPGDPMYYTXXPU-SJORKVTESA-N 1 1 342.447 0.425 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088569748 751977136 /nfs/dbraw/zinc/97/71/36/751977136.db2.gz IWMHPURKANNUCI-MFKMUULPSA-N 1 1 331.405 0.385 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088569748 751977143 /nfs/dbraw/zinc/97/71/43/751977143.db2.gz IWMHPURKANNUCI-MFKMUULPSA-N 1 1 331.405 0.385 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3coc(OC)n3)nn2)C1 ZINC001000000521 745162388 /nfs/dbraw/zinc/16/23/88/745162388.db2.gz JXFRFNDNSHRMBL-LBPRGKRZSA-N 1 1 332.364 0.638 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3coc(OC)n3)nn2)C1 ZINC001000000834 745162952 /nfs/dbraw/zinc/16/29/52/745162952.db2.gz LEIUPDDUOANQKW-GFCCVEGCSA-N 1 1 330.348 0.085 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC(=O)NC3)nn2)C1 ZINC001000001032 745163508 /nfs/dbraw/zinc/16/35/08/745163508.db2.gz AIDMIWGCOUAWRR-UKRRQHHQSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccc4nccn43)nn2)C1 ZINC001000003907 745170274 /nfs/dbraw/zinc/17/02/74/745170274.db2.gz RCJGAZLWJDFJRO-OAHLLOKOSA-N 1 1 349.398 0.736 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C(=O)NC)n2)C(C)(C)C1 ZINC000977549486 745171537 /nfs/dbraw/zinc/17/15/37/745171537.db2.gz ZIHLTUJPXFCEKD-OAHLLOKOSA-N 1 1 328.416 0.905 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C(=O)NC)n2)C(C)(C)C1 ZINC000977549486 745171542 /nfs/dbraw/zinc/17/15/42/745171542.db2.gz ZIHLTUJPXFCEKD-OAHLLOKOSA-N 1 1 328.416 0.905 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCN(C)C3=O)nn2)C1 ZINC001000007219 745175371 /nfs/dbraw/zinc/17/53/71/745175371.db2.gz BGRDPDHEYBKVIE-LSDHHAIUSA-N 1 1 346.435 0.196 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCc2cn([C@@H]3CCN(CC#N)C3)nn2)CC[N@H+]1C ZINC001000007534 745175411 /nfs/dbraw/zinc/17/54/11/745175411.db2.gz FQOSSDSSSZNXEI-OFQRWUPVSA-N 1 1 345.451 0.395 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc4n[nH]cc4c3)nn2)C1 ZINC001000015559 745185351 /nfs/dbraw/zinc/18/53/51/745185351.db2.gz NWZFPZUVAPMZCN-INIZCTEOSA-N 1 1 349.398 0.964 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001000017615 745188212 /nfs/dbraw/zinc/18/82/12/745188212.db2.gz RGSSZEGAOWUECF-OAGGEKHMSA-N 1 1 335.448 0.779 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001000023518 745194738 /nfs/dbraw/zinc/19/47/38/745194738.db2.gz CRVSYVNNWILFBF-HNNXBMFYSA-N 1 1 325.376 0.268 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn4ccccc34)nn2)C1 ZINC001000027750 745200819 /nfs/dbraw/zinc/20/08/19/745200819.db2.gz FBFKTCXSTWWBRN-OAHLLOKOSA-N 1 1 349.398 0.736 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cn([C@H]3CC[N@H+](CC)C3)nn2)nn1 ZINC001000030819 745205581 /nfs/dbraw/zinc/20/55/81/745205581.db2.gz LQTBDIRLCNOGKV-ZDUSSCGKSA-N 1 1 330.396 0.252 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C#C)cn3)nn2)C1 ZINC001000033702 745208571 /nfs/dbraw/zinc/20/85/71/745208571.db2.gz DGENTMVLRCFZBS-QGZVFWFLSA-N 1 1 348.410 0.855 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(CC)nn3C)nn2)C1 ZINC001000033803 745208779 /nfs/dbraw/zinc/20/87/79/745208779.db2.gz GSROVGUVUQSMRV-HNNXBMFYSA-N 1 1 343.435 0.937 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(CC)nn3)nn2)C1 ZINC001000035039 745209930 /nfs/dbraw/zinc/20/99/30/745209930.db2.gz JVKHYZCKJYGUDN-AWEZNQCLSA-N 1 1 344.423 0.642 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnoc3C3CC3)nn2)C1 ZINC001000035050 745210229 /nfs/dbraw/zinc/21/02/29/745210229.db2.gz LKMXROSDLVBSOY-AWEZNQCLSA-N 1 1 340.387 0.954 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(Cl)no3)nn2)C1 ZINC001000036510 745213911 /nfs/dbraw/zinc/21/39/11/745213911.db2.gz ULQNSXLOHUHRQW-LLVKDONJSA-N 1 1 334.767 0.730 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001000038868 745217679 /nfs/dbraw/zinc/21/76/79/745217679.db2.gz ZMCZBVXGAHQYHG-CQSZACIVSA-N 1 1 325.376 0.268 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001000042307 745222242 /nfs/dbraw/zinc/22/22/42/745222242.db2.gz FDQCQJNOMXOZHY-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ncccn3)C2)nn1 ZINC001020700285 751989512 /nfs/dbraw/zinc/98/95/12/751989512.db2.gz LVEOJFKHQISCNG-JHJVBQTASA-N 1 1 327.392 0.866 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ncccc3C#N)C2)C1 ZINC001059234960 745302287 /nfs/dbraw/zinc/30/22/87/745302287.db2.gz CIEZGMORSMPCAY-KKUMJFAQSA-N 1 1 329.404 0.733 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ncccc3C#N)C2)C1 ZINC001059234960 745302295 /nfs/dbraw/zinc/30/22/95/745302295.db2.gz CIEZGMORSMPCAY-KKUMJFAQSA-N 1 1 329.404 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cn3ccnc3)C(C)(C)C2)C1=O ZINC000977646743 745332366 /nfs/dbraw/zinc/33/23/66/745332366.db2.gz NFIQXNCMXJFIRG-LSDHHAIUSA-N 1 1 345.447 0.497 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CCc3c[nH]nn3)C2)C1=O ZINC001000232161 745368544 /nfs/dbraw/zinc/36/85/44/745368544.db2.gz NONGRQCKMNAHJR-LSDHHAIUSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CCc3cnn[nH]3)C2)C1=O ZINC001000232161 745368548 /nfs/dbraw/zinc/36/85/48/745368548.db2.gz NONGRQCKMNAHJR-LSDHHAIUSA-N 1 1 346.435 0.105 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000977771342 745475052 /nfs/dbraw/zinc/47/50/52/745475052.db2.gz LDOGLRHKJGVWCI-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C)nn1C ZINC001075790329 745476492 /nfs/dbraw/zinc/47/64/92/745476492.db2.gz ROJIVRLXWTVOPJ-ZFWWWQNUSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C)nn1C ZINC001075790329 745476496 /nfs/dbraw/zinc/47/64/96/745476496.db2.gz ROJIVRLXWTVOPJ-ZFWWWQNUSA-N 1 1 345.447 0.451 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ncccn3)C2)nn1 ZINC001000402147 745477511 /nfs/dbraw/zinc/47/75/11/745477511.db2.gz HOGGAUNVOCSFPH-CYBMUJFWSA-N 1 1 327.392 0.649 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccn[nH]3)[C@H]2CC)C1=O ZINC001087507080 745490901 /nfs/dbraw/zinc/49/09/01/745490901.db2.gz DMRCKMCEQUZRDN-NWANDNLSSA-N 1 1 331.420 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N(C)C2CC2)nc1 ZINC001028269107 752016788 /nfs/dbraw/zinc/01/67/88/752016788.db2.gz GFUGBXMCNYZKJC-INIZCTEOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)C2CC2)nc1 ZINC001028269107 752016797 /nfs/dbraw/zinc/01/67/97/752016797.db2.gz GFUGBXMCNYZKJC-INIZCTEOSA-N 1 1 340.427 0.878 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CCC[C@H]1C)c1ccc(C#N)nn1 ZINC001126512958 745541128 /nfs/dbraw/zinc/54/11/28/745541128.db2.gz GHDYZEKQRUKTFX-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000983935881 745545048 /nfs/dbraw/zinc/54/50/48/745545048.db2.gz YIJOTAJOIAGDQA-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000983935881 745545050 /nfs/dbraw/zinc/54/50/50/745545050.db2.gz YIJOTAJOIAGDQA-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000983935881 745545054 /nfs/dbraw/zinc/54/50/54/745545054.db2.gz YIJOTAJOIAGDQA-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000983935881 745545056 /nfs/dbraw/zinc/54/50/56/745545056.db2.gz YIJOTAJOIAGDQA-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000983935881 745545059 /nfs/dbraw/zinc/54/50/59/745545059.db2.gz YIJOTAJOIAGDQA-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CCOC3)CC2)C1=O ZINC001000499402 745549141 /nfs/dbraw/zinc/54/91/41/745549141.db2.gz FXTQOSPZEMPWFR-HZPDHXFCSA-N 1 1 333.432 0.558 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC001000557639 745593764 /nfs/dbraw/zinc/59/37/64/745593764.db2.gz BZJCFLPZTLYUIN-MRXNPFEDSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1oncc1C ZINC000977917879 745644716 /nfs/dbraw/zinc/64/47/16/745644716.db2.gz KFSUPIQOOLXPMD-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1oncc1C ZINC000977917879 745644717 /nfs/dbraw/zinc/64/47/17/745644717.db2.gz KFSUPIQOOLXPMD-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cocn1 ZINC000977923650 745653424 /nfs/dbraw/zinc/65/34/24/745653424.db2.gz CDZPJNZSYLSBKQ-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cocn1 ZINC000977923650 745653427 /nfs/dbraw/zinc/65/34/27/745653427.db2.gz CDZPJNZSYLSBKQ-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCC2)nc1 ZINC001028268867 752018908 /nfs/dbraw/zinc/01/89/08/752018908.db2.gz BEFTXLDJZFHBDX-HNNXBMFYSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCC2)nc1 ZINC001028268867 752018912 /nfs/dbraw/zinc/01/89/12/752018912.db2.gz BEFTXLDJZFHBDX-HNNXBMFYSA-N 1 1 326.400 0.489 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3n[nH]cc3C)CC2)C1=O ZINC001000663779 745680160 /nfs/dbraw/zinc/68/01/60/745680160.db2.gz IGFYDUFCWISFIW-OAHLLOKOSA-N 1 1 343.431 0.867 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N(C)C2CC2)cn1 ZINC001028270601 752025325 /nfs/dbraw/zinc/02/53/25/752025325.db2.gz OJVHIMNWTXRSPS-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N(C)C2CC2)cn1 ZINC001028270601 752025330 /nfs/dbraw/zinc/02/53/30/752025330.db2.gz OJVHIMNWTXRSPS-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1nnc([C@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)[nH]1 ZINC000977977257 745737146 /nfs/dbraw/zinc/73/71/46/745737146.db2.gz MWEFKRCIOBQSSL-NZPIUUIZSA-N 1 1 339.403 0.982 20 30 ECEDMO Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)[nH]1 ZINC000977977257 745737147 /nfs/dbraw/zinc/73/71/47/745737147.db2.gz MWEFKRCIOBQSSL-NZPIUUIZSA-N 1 1 339.403 0.982 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001000746833 745739229 /nfs/dbraw/zinc/73/92/29/745739229.db2.gz KRAPRHYSYAOEBK-INIZCTEOSA-N 1 1 333.432 0.253 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC001000757743 745748239 /nfs/dbraw/zinc/74/82/39/745748239.db2.gz PXJJJMRYEGFHAM-UHFFFAOYSA-N 1 1 341.411 0.936 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)s1 ZINC001028271120 752029746 /nfs/dbraw/zinc/02/97/46/752029746.db2.gz ZBUPABJJZQKXTD-RISCZKNCSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)s1 ZINC001028271120 752029752 /nfs/dbraw/zinc/02/97/52/752029752.db2.gz ZBUPABJJZQKXTD-RISCZKNCSA-N 1 1 332.429 0.979 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cccn1 ZINC001029342178 745758285 /nfs/dbraw/zinc/75/82/85/745758285.db2.gz AETMHOVHBGNWNZ-KSZLIROESA-N 1 1 341.459 0.656 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@H]2CCOC2)CC1 ZINC001000787946 745763724 /nfs/dbraw/zinc/76/37/24/745763724.db2.gz LMZVUAXLCVPZCB-MSOLQXFVSA-N 1 1 331.460 0.869 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ocnc4C)[C@@H]3C2)C1=O ZINC000977994781 745775382 /nfs/dbraw/zinc/77/53/82/745775382.db2.gz LDDHBIZFTWKWGC-XQLPTFJDSA-N 1 1 344.415 0.678 20 30 ECEDMO Cc1nnc([C@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)[nH]1 ZINC000978022097 745787682 /nfs/dbraw/zinc/78/76/82/745787682.db2.gz OKRALFDOLGLHNX-NZPIUUIZSA-N 1 1 339.403 0.982 20 30 ECEDMO Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)[nH]1 ZINC000978022097 745787687 /nfs/dbraw/zinc/78/76/87/745787687.db2.gz OKRALFDOLGLHNX-NZPIUUIZSA-N 1 1 339.403 0.982 20 30 ECEDMO CCn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978017960 745803460 /nfs/dbraw/zinc/80/34/60/745803460.db2.gz FCIBMYOQNAXYBI-QKDCVEJESA-N 1 1 339.403 0.606 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccoc2C)C1 ZINC001000842710 745819266 /nfs/dbraw/zinc/81/92/66/745819266.db2.gz ZPTFEWAKENHILP-INIZCTEOSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccoc2C)C1 ZINC001000842710 745819273 /nfs/dbraw/zinc/81/92/73/745819273.db2.gz ZPTFEWAKENHILP-INIZCTEOSA-N 1 1 329.400 0.874 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000984112039 745844838 /nfs/dbraw/zinc/84/48/38/745844838.db2.gz FKZRNKFRFUJTLU-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC001027585102 745879249 /nfs/dbraw/zinc/87/92/49/745879249.db2.gz ZGAZNNUHDQNMHN-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC001027585102 745879255 /nfs/dbraw/zinc/87/92/55/745879255.db2.gz ZGAZNNUHDQNMHN-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005652 752042171 /nfs/dbraw/zinc/04/21/71/752042171.db2.gz ZEDLHSLLEOECMG-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005652 752042176 /nfs/dbraw/zinc/04/21/76/752042176.db2.gz ZEDLHSLLEOECMG-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC000978098531 745915134 /nfs/dbraw/zinc/91/51/34/745915134.db2.gz BPYGZHKJKBRSGC-CHWFTXMASA-N 1 1 344.209 0.297 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)F)C2 ZINC001000944521 745920480 /nfs/dbraw/zinc/92/04/80/745920480.db2.gz JTGYXAGTCSJKSX-NDBYEHHHSA-N 1 1 325.359 0.597 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)F)C2 ZINC001000944521 745920485 /nfs/dbraw/zinc/92/04/85/745920485.db2.gz JTGYXAGTCSJKSX-NDBYEHHHSA-N 1 1 325.359 0.597 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cnnn1C ZINC001087545543 745938281 /nfs/dbraw/zinc/93/82/81/745938281.db2.gz PSKVQLVBNKOYOG-DZGCQCFKSA-N 1 1 327.392 0.798 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cnnn1C ZINC001087545543 745938284 /nfs/dbraw/zinc/93/82/84/745938284.db2.gz PSKVQLVBNKOYOG-DZGCQCFKSA-N 1 1 327.392 0.798 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)cc1 ZINC001041986349 782550926 /nfs/dbraw/zinc/55/09/26/782550926.db2.gz PRQFRQHGSTWQHY-HOTGVXAUSA-N 1 1 326.400 0.856 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCC2)cn1 ZINC001028272403 752046552 /nfs/dbraw/zinc/04/65/52/752046552.db2.gz UPVFOORYIVNZDL-MRXNPFEDSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCC2)cn1 ZINC001028272403 752046559 /nfs/dbraw/zinc/04/65/59/752046559.db2.gz UPVFOORYIVNZDL-MRXNPFEDSA-N 1 1 326.400 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cccn2C)C1 ZINC001000987421 745953011 /nfs/dbraw/zinc/95/30/11/745953011.db2.gz SXFYUTIIPYELMR-INIZCTEOSA-N 1 1 328.416 0.311 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cccn2C)C1 ZINC001000987421 745953016 /nfs/dbraw/zinc/95/30/16/745953016.db2.gz SXFYUTIIPYELMR-INIZCTEOSA-N 1 1 328.416 0.311 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+]CCn3cccn3)C2)CC1 ZINC001000995250 745960248 /nfs/dbraw/zinc/96/02/48/745960248.db2.gz XDXSEAURZAUMHJ-GOSISDBHSA-N 1 1 343.475 0.809 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC001001000795 745965425 /nfs/dbraw/zinc/96/54/25/745965425.db2.gz GIIXJLRKUWXKQU-HNNXBMFYSA-N 1 1 341.402 0.724 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3c[nH]nc3C)CC2)C1=O ZINC001001017962 745983275 /nfs/dbraw/zinc/98/32/75/745983275.db2.gz AUTQWQZWRHJBGT-MRXNPFEDSA-N 1 1 343.431 0.867 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028461 752053450 /nfs/dbraw/zinc/05/34/50/752053450.db2.gz JCWJQOHGQQYROR-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028461 752053456 /nfs/dbraw/zinc/05/34/56/752053456.db2.gz JCWJQOHGQQYROR-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028465 752053697 /nfs/dbraw/zinc/05/36/97/752053697.db2.gz JCWJQOHGQQYROR-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028465 752053704 /nfs/dbraw/zinc/05/37/04/752053704.db2.gz JCWJQOHGQQYROR-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@@H+]([C@@H](C)C(=O)N(C)C)CC2)c1 ZINC001001128576 746098183 /nfs/dbraw/zinc/09/81/83/746098183.db2.gz LLOVPSCDTAABCC-AWEZNQCLSA-N 1 1 340.427 0.902 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC001001145538 746111894 /nfs/dbraw/zinc/11/18/94/746111894.db2.gz SZPSVTZIXKOARE-CVEARBPZSA-N 1 1 335.448 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cccnn1 ZINC000978267349 746115005 /nfs/dbraw/zinc/11/50/05/746115005.db2.gz ZQPDZDHIRGTWQM-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cccnn1 ZINC000978267349 746115010 /nfs/dbraw/zinc/11/50/10/746115010.db2.gz ZQPDZDHIRGTWQM-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnon2)[C@@H]1CC ZINC001087607308 746115635 /nfs/dbraw/zinc/11/56/35/746115635.db2.gz XESYFABHKSTDGY-XHSDSOJGSA-N 1 1 331.420 0.636 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnon2)[C@@H]1CC ZINC001087607308 746115637 /nfs/dbraw/zinc/11/56/37/746115637.db2.gz XESYFABHKSTDGY-XHSDSOJGSA-N 1 1 331.420 0.636 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncnn2C)[C@@H]1CC ZINC001087607233 746115701 /nfs/dbraw/zinc/11/57/01/746115701.db2.gz SNVBXHGHOBDCRM-XHSDSOJGSA-N 1 1 344.463 0.382 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncnn2C)[C@@H]1CC ZINC001087607233 746115705 /nfs/dbraw/zinc/11/57/05/746115705.db2.gz SNVBXHGHOBDCRM-XHSDSOJGSA-N 1 1 344.463 0.382 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](CCn2cncn2)CC1 ZINC001001171047 746133697 /nfs/dbraw/zinc/13/36/97/746133697.db2.gz HJGXJHLZAIZEOR-CVEARBPZSA-N 1 1 331.420 0.618 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001001182568 746144734 /nfs/dbraw/zinc/14/47/34/746144734.db2.gz PZZPJSBNUBLFHU-OAHLLOKOSA-N 1 1 328.420 0.397 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)nn1 ZINC001027606897 746160981 /nfs/dbraw/zinc/16/09/81/746160981.db2.gz ORJQTOGYQBXQGB-ZFWWWQNUSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)[C@H]1CC ZINC001087672982 746170496 /nfs/dbraw/zinc/17/04/96/746170496.db2.gz QMHBXXMCUAXEKJ-QLFBSQMISA-N 1 1 326.462 0.946 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cncn3C)C2)nn1 ZINC001027607603 746171732 /nfs/dbraw/zinc/17/17/32/746171732.db2.gz ZXURKSNBVPDSOS-AWEZNQCLSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cncn3C)C2)nn1 ZINC001027607603 746171736 /nfs/dbraw/zinc/17/17/36/746171736.db2.gz ZXURKSNBVPDSOS-AWEZNQCLSA-N 1 1 343.435 0.934 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001001222360 746178296 /nfs/dbraw/zinc/17/82/96/746178296.db2.gz NMSZFQAAVSRISU-MRXNPFEDSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]nnc3C)[C@H]2CC)C1=O ZINC001087682016 746184144 /nfs/dbraw/zinc/18/41/44/746184144.db2.gz BCBGJYCIGWPLJP-MJBXVCDLSA-N 1 1 346.435 0.483 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@@H+]([C@@H](CC)C(N)=O)CC2)nn1 ZINC001001247036 746205209 /nfs/dbraw/zinc/20/52/09/746205209.db2.gz FGEFJHPWFFSTIY-HNNXBMFYSA-N 1 1 346.435 0.480 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001027612587 746212059 /nfs/dbraw/zinc/21/20/59/746212059.db2.gz LRDZQAQWYFHWRC-QWHCGFSZSA-N 1 1 349.884 0.696 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001027612587 746212062 /nfs/dbraw/zinc/21/20/62/746212062.db2.gz LRDZQAQWYFHWRC-QWHCGFSZSA-N 1 1 349.884 0.696 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027615878 746258345 /nfs/dbraw/zinc/25/83/45/746258345.db2.gz BFBTWSMRGHBNAB-LBPRGKRZSA-N 1 1 327.812 0.715 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027615878 746258348 /nfs/dbraw/zinc/25/83/48/746258348.db2.gz BFBTWSMRGHBNAB-LBPRGKRZSA-N 1 1 327.812 0.715 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC000978399848 746282379 /nfs/dbraw/zinc/28/23/79/746282379.db2.gz BNLVPPHYTPAXBH-SYQHCUMBSA-N 1 1 331.420 0.416 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1nocc1C ZINC000978411550 746302592 /nfs/dbraw/zinc/30/25/92/746302592.db2.gz PBAOZFGKIRDXSI-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1nocc1C ZINC000978411550 746302597 /nfs/dbraw/zinc/30/25/97/746302597.db2.gz PBAOZFGKIRDXSI-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H]1CC ZINC001087776105 746314351 /nfs/dbraw/zinc/31/43/51/746314351.db2.gz LODLRVHVEXDZFZ-JKSUJKDBSA-N 1 1 330.432 0.853 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC000978420075 746319260 /nfs/dbraw/zinc/31/92/60/746319260.db2.gz GOWNCFGCPDIITL-OAGGEKHMSA-N 1 1 346.431 0.842 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cccnn3)C2)C1=O ZINC001027624303 746336173 /nfs/dbraw/zinc/33/61/73/746336173.db2.gz DGRSACWMXVXGSP-ZBFHGGJFSA-N 1 1 343.431 0.800 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]2O)c[nH]1 ZINC001083417847 746428395 /nfs/dbraw/zinc/42/83/95/746428395.db2.gz GFZRGPYFAQSYSW-OAGGEKHMSA-N 1 1 332.404 0.620 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@H]1CC ZINC001087827843 746431093 /nfs/dbraw/zinc/43/10/93/746431093.db2.gz NBIZXYGHRZNVQH-UONOGXRCSA-N 1 1 326.404 0.659 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]nc3[C@@H]3CCOC3)[C@@H]2C1 ZINC000978556560 746437592 /nfs/dbraw/zinc/43/75/92/746437592.db2.gz NXYDTMKSGDWIEQ-XOUADPBQSA-N 1 1 328.416 0.845 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1CC ZINC001087833773 746445783 /nfs/dbraw/zinc/44/57/83/746445783.db2.gz SXMROKOLJKBTSY-QJPTWQEYSA-N 1 1 335.857 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1CC ZINC001087833773 746445787 /nfs/dbraw/zinc/44/57/87/746445787.db2.gz SXMROKOLJKBTSY-QJPTWQEYSA-N 1 1 335.857 0.400 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101358945 746521422 /nfs/dbraw/zinc/52/14/22/746521422.db2.gz ZRWUCBQSOJBDLA-VFVRVIDISA-N 1 1 348.447 0.706 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cc[nH]n4)C[C@@H]3C2)C1=O ZINC001087894404 746585711 /nfs/dbraw/zinc/58/57/11/746585711.db2.gz QTMBGBKHQLFNRK-YCPHGPKFSA-N 1 1 343.431 0.591 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccn[nH]4)C[C@@H]3C2)C1=O ZINC001087894404 746585715 /nfs/dbraw/zinc/58/57/15/746585715.db2.gz QTMBGBKHQLFNRK-YCPHGPKFSA-N 1 1 343.431 0.591 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccn[nH]4)C[C@@H]3C2)C1=O ZINC001087894404 746585718 /nfs/dbraw/zinc/58/57/18/746585718.db2.gz QTMBGBKHQLFNRK-YCPHGPKFSA-N 1 1 343.431 0.591 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCc4cnn(C)c4)C[C@H]32)c1 ZINC000978699238 746594640 /nfs/dbraw/zinc/59/46/40/746594640.db2.gz OJFBHIOARZXTQA-LDLYASANSA-N 1 1 349.438 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cnnn3C)C2)cn1 ZINC001027656594 746599043 /nfs/dbraw/zinc/59/90/43/746599043.db2.gz UKVLZHFHTVOIKS-INIZCTEOSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cnnn3C)C2)cn1 ZINC001027656594 746599047 /nfs/dbraw/zinc/59/90/47/746599047.db2.gz UKVLZHFHTVOIKS-INIZCTEOSA-N 1 1 338.415 0.928 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC000978733207 746646617 /nfs/dbraw/zinc/64/66/17/746646617.db2.gz QLFALEKSRNXNAE-MTSZKFMLSA-N 1 1 347.459 0.494 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001027666549 746674092 /nfs/dbraw/zinc/67/40/92/746674092.db2.gz MNXQFCGRUNUNHD-LBPRGKRZSA-N 1 1 325.372 0.900 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)c3C(F)(F)F)[C@@H]2C1 ZINC000978811107 746724593 /nfs/dbraw/zinc/72/45/93/746724593.db2.gz ADCUAWUAMILKLD-RTCCRHLQSA-N 1 1 341.337 0.765 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)nc(C)n3)C2)nn1 ZINC001105340752 746749860 /nfs/dbraw/zinc/74/98/60/746749860.db2.gz OMAOZUPPZVIDFY-UHFFFAOYSA-N 1 1 327.392 0.658 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)nn1 ZINC000978814049 746760665 /nfs/dbraw/zinc/76/06/65/746760665.db2.gz IOWUUTNEFCUXGP-XPCVCDNBSA-N 1 1 346.435 0.026 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1 ZINC000978850677 746797437 /nfs/dbraw/zinc/79/74/37/746797437.db2.gz CIWAXLSMJGUQCP-ZSOGYDGISA-N 1 1 339.399 0.262 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4oncc4C)[C@@H]3C2)C1=O ZINC000978913745 746885363 /nfs/dbraw/zinc/88/53/63/746885363.db2.gz DOSBUHRLINWBMA-XQLPTFJDSA-N 1 1 344.415 0.678 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(Cn4cccn4)on3)[C@@H]2C1 ZINC000978942694 746925072 /nfs/dbraw/zinc/92/50/72/746925072.db2.gz GEARNKPCKMZYHU-QKDCVEJESA-N 1 1 325.372 0.460 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000978951532 746943851 /nfs/dbraw/zinc/94/38/51/746943851.db2.gz ACOOMGFVXHYIQD-NXOAAHMSSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000978951532 746943854 /nfs/dbraw/zinc/94/38/54/746943854.db2.gz ACOOMGFVXHYIQD-NXOAAHMSSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2oncc2C)C1 ZINC000978954747 746950310 /nfs/dbraw/zinc/95/03/10/746950310.db2.gz XYJOSXFRDWTFBH-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2oncc2C)C1 ZINC000978954747 746950316 /nfs/dbraw/zinc/95/03/16/746950316.db2.gz XYJOSXFRDWTFBH-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)c4ccccc43)C[C@@H]2C1 ZINC001087996674 746973511 /nfs/dbraw/zinc/97/35/11/746973511.db2.gz IRCJJUYRNAGJPV-VKJFTORMSA-N 1 1 337.423 0.927 20 30 ECEDMO N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001059446483 746983540 /nfs/dbraw/zinc/98/35/40/746983540.db2.gz WZVMQVASFKNCLF-VGWMRTNUSA-N 1 1 341.415 0.876 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1 ZINC001002142110 747022101 /nfs/dbraw/zinc/02/21/01/747022101.db2.gz AIDGOTRXQVDHES-SRMUXQRQSA-N 1 1 341.415 0.700 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)cn1 ZINC000979003438 747028861 /nfs/dbraw/zinc/02/88/61/747028861.db2.gz LFSHMBYLOIDPTR-WCXIOVBPSA-N 1 1 338.411 0.201 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCN1C(=O)C#CC1CC1 ZINC000984952255 747157028 /nfs/dbraw/zinc/15/70/28/747157028.db2.gz AHUQUOZBTRLRQJ-BBWFWOEESA-N 1 1 347.459 0.616 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCN1C(=O)C#CC1CC1 ZINC000984952255 747157032 /nfs/dbraw/zinc/15/70/32/747157032.db2.gz AHUQUOZBTRLRQJ-BBWFWOEESA-N 1 1 347.459 0.616 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@@H]2C1 ZINC001088053663 747160210 /nfs/dbraw/zinc/16/02/10/747160210.db2.gz SWGJNYUGUROLQJ-LTIDMASMSA-N 1 1 335.448 0.589 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)c3snnc3C)CC2)C1=O ZINC001002323176 747218543 /nfs/dbraw/zinc/21/85/43/747218543.db2.gz SHPLCGDKKXVUFW-CYBMUJFWSA-N 1 1 349.460 0.828 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cc3nnc[nH]3)C2)s1 ZINC000985022389 747274949 /nfs/dbraw/zinc/27/49/49/747274949.db2.gz XNNFIQVOFGIIJH-XYPYZODXSA-N 1 1 330.417 0.965 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CSC)[C@@H]1CC ZINC000985047832 747301226 /nfs/dbraw/zinc/30/12/26/747301226.db2.gz SLRIXQTZVXJUTM-ZNMIVQPWSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CSC)[C@@H]1CC ZINC000985047832 747301233 /nfs/dbraw/zinc/30/12/33/747301233.db2.gz SLRIXQTZVXJUTM-ZNMIVQPWSA-N 1 1 337.489 0.943 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnsn3)CC2)C1=O ZINC001002406688 747306781 /nfs/dbraw/zinc/30/67/81/747306781.db2.gz YRQUEXVVWTYCEJ-CYBMUJFWSA-N 1 1 335.433 0.519 20 30 ECEDMO C[C@H]([NH2+]Cc1cn(C)nn1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979289261 747518688 /nfs/dbraw/zinc/51/86/88/747518688.db2.gz HINZJAAMXKHGBV-XHDPSFHLSA-N 1 1 343.391 0.034 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001088162972 747558237 /nfs/dbraw/zinc/55/82/37/747558237.db2.gz VAQQJMLGJHXWIR-CABCVRRESA-N 1 1 348.447 0.675 20 30 ECEDMO C[C@H]([NH2+]Cc1ncnn1C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979295164 747558575 /nfs/dbraw/zinc/55/85/75/747558575.db2.gz QVFDZQZUFHGUSY-SMDDNHRTSA-N 1 1 343.391 0.034 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]2C1 ZINC001088168985 747582837 /nfs/dbraw/zinc/58/28/37/747582837.db2.gz BRRSDAXUBXDQGM-OLZOCXBDSA-N 1 1 325.372 0.462 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C)n[nH]2)C1=O ZINC001027774452 747592420 /nfs/dbraw/zinc/59/24/20/747592420.db2.gz FCSQULZZOXJPMT-UKRRQHHQSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C)n[nH]2)C1=O ZINC001027774452 747592427 /nfs/dbraw/zinc/59/24/27/747592427.db2.gz FCSQULZZOXJPMT-UKRRQHHQSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cccc(=O)n3C)C2)nn1 ZINC001098721489 747612585 /nfs/dbraw/zinc/61/25/85/747612585.db2.gz ILPMMIQFWGIBFV-CQSZACIVSA-N 1 1 342.403 0.340 20 30 ECEDMO C[C@H]([NH2+]Cc1nnnn1C1CC1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979339700 747641272 /nfs/dbraw/zinc/64/12/72/747641272.db2.gz VMMNJESNUKQSCD-SWLSCSKDSA-N 1 1 344.419 0.127 20 30 ECEDMO CCn1c(C)nnc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979332053 747655811 /nfs/dbraw/zinc/65/58/11/747655811.db2.gz KVIAFOCZYLZFAX-XJKSGUPXSA-N 1 1 345.447 0.725 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001087425632 747661349 /nfs/dbraw/zinc/66/13/49/747661349.db2.gz IVIBGIRFHVLLLA-HZPDHXFCSA-N 1 1 339.399 0.591 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001087425632 747661354 /nfs/dbraw/zinc/66/13/54/747661354.db2.gz IVIBGIRFHVLLLA-HZPDHXFCSA-N 1 1 339.399 0.591 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)cc1F ZINC001002723132 747700182 /nfs/dbraw/zinc/70/01/82/747700182.db2.gz PGDOXGNCNVMIHE-HNNXBMFYSA-N 1 1 346.362 0.886 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 ZINC001088194711 747707895 /nfs/dbraw/zinc/70/78/95/747707895.db2.gz SHIKTTQLRVNWHE-RDBSUJKOSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2CCOCC2)C1 ZINC000979383277 747739706 /nfs/dbraw/zinc/73/97/06/747739706.db2.gz RIVNXXDJZBIOCI-XIRDDKMYSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2CCOCC2)C1 ZINC000979383277 747739711 /nfs/dbraw/zinc/73/97/11/747739711.db2.gz RIVNXXDJZBIOCI-XIRDDKMYSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnc(C)n4C3)C[C@@H]2C1 ZINC001088210435 747744270 /nfs/dbraw/zinc/74/42/70/747744270.db2.gz LBEMAODSWAELQN-IKGGRYGDSA-N 1 1 341.459 0.953 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001088226819 747773589 /nfs/dbraw/zinc/77/35/89/747773589.db2.gz XLGKLCFMEHVZGW-MRXNPFEDSA-N 1 1 346.435 0.026 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001088230754 747783635 /nfs/dbraw/zinc/78/36/35/747783635.db2.gz YORHTFDRRGHPFS-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3ccnn3C)CC2)C1 ZINC001088233202 747790192 /nfs/dbraw/zinc/79/01/92/747790192.db2.gz KILIBOCWXRFQKQ-SFHVURJKSA-N 1 1 344.459 0.925 20 30 ECEDMO Cn1[nH]c(C[N@@H+](C)C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)nc1=O ZINC000985360147 747797814 /nfs/dbraw/zinc/79/78/14/747797814.db2.gz CKZFCVSFTWNIMA-UHFFFAOYSA-N 1 1 343.391 0.045 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985361857 747808226 /nfs/dbraw/zinc/80/82/26/747808226.db2.gz MQMZUINCNAMNBH-UHFFFAOYSA-N 1 1 329.404 0.655 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1 ZINC001088236849 747835411 /nfs/dbraw/zinc/83/54/11/747835411.db2.gz FEHGCKAPDSCWGR-HNNXBMFYSA-N 1 1 346.431 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccnn2CC)C1 ZINC001002828923 747844280 /nfs/dbraw/zinc/84/42/80/747844280.db2.gz IPRIKEBTDFZKOS-HNNXBMFYSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccnn2CC)C1 ZINC001002828923 747844290 /nfs/dbraw/zinc/84/42/90/747844290.db2.gz IPRIKEBTDFZKOS-HNNXBMFYSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001088237708 747852151 /nfs/dbraw/zinc/85/21/51/747852151.db2.gz AVRWNELHZRPXAM-ZACQAIPSSA-N 1 1 347.459 0.461 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC001002834613 747854736 /nfs/dbraw/zinc/85/47/36/747854736.db2.gz GTKDYOGSVQPBGG-YPMHNXCESA-N 1 1 345.365 0.857 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC001002834613 747854745 /nfs/dbraw/zinc/85/47/45/747854745.db2.gz GTKDYOGSVQPBGG-YPMHNXCESA-N 1 1 345.365 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CCc3cn[nH]n3)CC2)C1 ZINC001088238598 747862418 /nfs/dbraw/zinc/86/24/18/747862418.db2.gz XWXJHOAQGAMODZ-QGZVFWFLSA-N 1 1 345.447 0.700 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001088238598 747862430 /nfs/dbraw/zinc/86/24/30/747862430.db2.gz XWXJHOAQGAMODZ-QGZVFWFLSA-N 1 1 345.447 0.700 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001088238598 747862439 /nfs/dbraw/zinc/86/24/39/747862439.db2.gz XWXJHOAQGAMODZ-QGZVFWFLSA-N 1 1 345.447 0.700 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3ncc[nH]3)CC2)C1=O ZINC000985421934 747964446 /nfs/dbraw/zinc/96/44/46/747964446.db2.gz UNZFUTYEAHTGPV-CQSZACIVSA-N 1 1 331.420 0.733 20 30 ECEDMO N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CCN1C1CC1 ZINC000925148619 747993592 /nfs/dbraw/zinc/99/35/92/747993592.db2.gz KDMZTBKWPHVKKN-OAGGEKHMSA-N 1 1 349.504 0.948 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001002950640 747999049 /nfs/dbraw/zinc/99/90/49/747999049.db2.gz RMGGNEAJEUHZFV-ZDUSSCGKSA-N 1 1 343.855 0.814 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cocn3)C2)C1=O ZINC001029674145 748030678 /nfs/dbraw/zinc/03/06/78/748030678.db2.gz CWOVXTPPCWKSBJ-UKRRQHHQSA-N 1 1 332.404 0.855 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691017 748074542 /nfs/dbraw/zinc/07/45/42/748074542.db2.gz LXPAWESGLLSHOX-RYUDHWBXSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691017 748074547 /nfs/dbraw/zinc/07/45/47/748074547.db2.gz LXPAWESGLLSHOX-RYUDHWBXSA-N 1 1 342.407 0.565 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000262526386 748121844 /nfs/dbraw/zinc/12/18/44/748121844.db2.gz LEZSFRMWVOWHTR-QGZVFWFLSA-N 1 1 348.470 0.508 20 30 ECEDMO CN1CCN(C)[C@H](CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000262526386 748121849 /nfs/dbraw/zinc/12/18/49/748121849.db2.gz LEZSFRMWVOWHTR-QGZVFWFLSA-N 1 1 348.470 0.508 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)C3=CCOCC3)C2)C1=O ZINC001029714965 748130586 /nfs/dbraw/zinc/13/05/86/748130586.db2.gz KLGMHGQQPGXDEN-NVXWUHKLSA-N 1 1 347.459 0.900 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)CC(C)(C)O)C2)C1=O ZINC001029721588 748154251 /nfs/dbraw/zinc/15/42/51/748154251.db2.gz BLOXKCSZQOJFMY-LSDHHAIUSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001075855688 748163738 /nfs/dbraw/zinc/16/37/38/748163738.db2.gz OHPFHJNIIWBBOO-HRCADAONSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1=O ZINC001029733429 748176460 /nfs/dbraw/zinc/17/64/60/748176460.db2.gz JRAINNNLQPALEE-DLBZAZTESA-N 1 1 329.444 0.967 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cccn2C)C1 ZINC000982455268 752254313 /nfs/dbraw/zinc/25/43/13/752254313.db2.gz WAKWDBPLGODQQD-CVEARBPZSA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cccn2C)C1 ZINC000982455268 752254316 /nfs/dbraw/zinc/25/43/16/752254316.db2.gz WAKWDBPLGODQQD-CVEARBPZSA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCOC1)C2 ZINC001003242059 748335981 /nfs/dbraw/zinc/33/59/81/748335981.db2.gz RXSXWYIZQULEMP-BIVLZKPYSA-N 1 1 345.443 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCOC1)C2 ZINC001003242059 748335988 /nfs/dbraw/zinc/33/59/88/748335988.db2.gz RXSXWYIZQULEMP-BIVLZKPYSA-N 1 1 345.443 0.369 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)cc1 ZINC001029797856 748457153 /nfs/dbraw/zinc/45/71/53/748457153.db2.gz CJMHGRYWKYXVDX-DOTOQJQBSA-N 1 1 325.412 0.950 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3nnc(C)[nH]3)C2)C1=O ZINC001007308023 752274381 /nfs/dbraw/zinc/27/43/81/752274381.db2.gz JZHKQPGVFSOANB-KBPBESRZSA-N 1 1 346.435 0.023 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3nnc(C)[nH]3)C2)C1=O ZINC001007308023 752274385 /nfs/dbraw/zinc/27/43/85/752274385.db2.gz JZHKQPGVFSOANB-KBPBESRZSA-N 1 1 346.435 0.023 20 30 ECEDMO CN1C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)NC1=O ZINC001003435786 748553493 /nfs/dbraw/zinc/55/34/93/748553493.db2.gz CWQRVOVSCQITAS-AWEZNQCLSA-N 1 1 347.444 0.724 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC001003471073 748588309 /nfs/dbraw/zinc/58/83/09/748588309.db2.gz CQZJRGSXENFIFE-UHFFFAOYSA-N 1 1 337.383 0.456 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC001003471481 748588887 /nfs/dbraw/zinc/58/88/87/748588887.db2.gz JRUYKOCBEHXRCX-DYVFJYSZSA-N 1 1 340.427 0.449 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCC[N@H+](CCS(C)(=O)=O)C2 ZINC001040121579 748591668 /nfs/dbraw/zinc/59/16/68/748591668.db2.gz SIZJXQCHDYKERC-UKRRQHHQSA-N 1 1 327.450 0.505 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCS(C)(=O)=O)C2 ZINC001040121579 748591673 /nfs/dbraw/zinc/59/16/73/748591673.db2.gz SIZJXQCHDYKERC-UKRRQHHQSA-N 1 1 327.450 0.505 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029821570 748598208 /nfs/dbraw/zinc/59/82/08/748598208.db2.gz OLRPRYGUZMGVLU-CVEARBPZSA-N 1 1 341.415 0.520 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001059587321 748616733 /nfs/dbraw/zinc/61/67/33/748616733.db2.gz PTQKOBIUDQXFOO-ZNMIVQPWSA-N 1 1 329.404 0.651 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001059587321 748616738 /nfs/dbraw/zinc/61/67/38/748616738.db2.gz PTQKOBIUDQXFOO-ZNMIVQPWSA-N 1 1 329.404 0.651 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]2C1 ZINC000979980317 748757818 /nfs/dbraw/zinc/75/78/18/748757818.db2.gz VUCPWCMMRFOXQA-ZNMIVQPWSA-N 1 1 328.416 0.850 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C(C)(F)F)C1 ZINC000979966628 748758142 /nfs/dbraw/zinc/75/81/42/748758142.db2.gz BEUCISDGZPCMFH-AVGNSLFASA-N 1 1 327.375 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C(C)(F)F)C1 ZINC000979966628 748758147 /nfs/dbraw/zinc/75/81/47/748758147.db2.gz BEUCISDGZPCMFH-AVGNSLFASA-N 1 1 327.375 0.750 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3ccc(C(N)=O)nc3)C[C@H]2C1 ZINC000979986482 748780656 /nfs/dbraw/zinc/78/06/56/748780656.db2.gz LFYYOKPVGPQWDD-HRCADAONSA-N 1 1 340.427 0.573 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cocn1 ZINC001003674345 748782991 /nfs/dbraw/zinc/78/29/91/748782991.db2.gz FQWOMCXBOHPRRR-VDERGJSUSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cocn1 ZINC001003674345 748782995 /nfs/dbraw/zinc/78/29/95/748782995.db2.gz FQWOMCXBOHPRRR-VDERGJSUSA-N 1 1 342.399 0.634 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027861121 748797273 /nfs/dbraw/zinc/79/72/73/748797273.db2.gz RQKFRFXCWGMRTK-CABCVRRESA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027861121 748797276 /nfs/dbraw/zinc/79/72/76/748797276.db2.gz RQKFRFXCWGMRTK-CABCVRRESA-N 1 1 328.372 0.747 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 ZINC000980080868 748950092 /nfs/dbraw/zinc/95/00/92/748950092.db2.gz CAHVKPIOIHYPIY-ZNMIVQPWSA-N 1 1 333.436 0.375 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNc2cnc(C#N)cn2)C1 ZINC001114946239 748985142 /nfs/dbraw/zinc/98/51/42/748985142.db2.gz GOEHSFIZSRVLGJ-DZGCQCFKSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNc2cnc(C#N)cn2)C1 ZINC001114946239 748985148 /nfs/dbraw/zinc/98/51/48/748985148.db2.gz GOEHSFIZSRVLGJ-DZGCQCFKSA-N 1 1 346.435 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)Cc3nnc[nH]3)CC2)C1=O ZINC000985743411 748994121 /nfs/dbraw/zinc/99/41/21/748994121.db2.gz NXPXOVCSJBYMKQ-AWEZNQCLSA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)Cc3nnc[n-]3)CC2)C1=O ZINC000985743411 748994126 /nfs/dbraw/zinc/99/41/26/748994126.db2.gz NXPXOVCSJBYMKQ-AWEZNQCLSA-N 1 1 346.435 0.057 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980156011 749082052 /nfs/dbraw/zinc/08/20/52/749082052.db2.gz GEEPBVXZJMULMH-ZNMIVQPWSA-N 1 1 344.415 0.189 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cnc4c(c3)nnn4C)C[C@@H]2C1 ZINC000980163110 749095325 /nfs/dbraw/zinc/09/53/25/749095325.db2.gz HZTYONPCXPVDGY-NWANDNLSSA-N 1 1 338.415 0.827 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2conc2C)C1 ZINC001003973735 749095597 /nfs/dbraw/zinc/09/55/97/749095597.db2.gz AJMMQYJHWZNRSK-HNNXBMFYSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2conc2C)C1 ZINC001003973735 749095602 /nfs/dbraw/zinc/09/56/02/749095602.db2.gz AJMMQYJHWZNRSK-HNNXBMFYSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4nnnc4c3)C[C@H]2C1 ZINC000980166077 749099723 /nfs/dbraw/zinc/09/97/23/749099723.db2.gz DONDKZXGRLZXTD-JYJNAYRXSA-N 1 1 338.415 0.978 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4nnnc4c3)C[C@H]2C1 ZINC000980168873 749104586 /nfs/dbraw/zinc/10/45/86/749104586.db2.gz HACZEEGVWIQOMO-JYJNAYRXSA-N 1 1 338.415 0.978 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccoc3CC(N)=O)C[C@@H]2C1 ZINC000980174138 749123663 /nfs/dbraw/zinc/12/36/63/749123663.db2.gz PPULLPPFUFYEGQ-MJBXVCDLSA-N 1 1 329.400 0.771 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)s1 ZINC001003999300 749125957 /nfs/dbraw/zinc/12/59/57/749125957.db2.gz IZSDJUJZJVSWAH-AWEZNQCLSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001003999383 749126310 /nfs/dbraw/zinc/12/63/10/749126310.db2.gz LEQYDDTWFGSTRJ-INIZCTEOSA-N 1 1 326.400 0.917 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCOC)C[C@@H]3C2)nn1 ZINC000980192787 749126512 /nfs/dbraw/zinc/12/65/12/749126512.db2.gz VIXLYSCVZGNCJP-QLFBSQMISA-N 1 1 333.436 0.941 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]2C1 ZINC000980187293 749139578 /nfs/dbraw/zinc/13/95/78/749139578.db2.gz HJONMQCFTXLNSW-BBWFWOEESA-N 1 1 342.443 0.710 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C#N)nn1 ZINC001126254428 749145399 /nfs/dbraw/zinc/14/53/99/749145399.db2.gz IZPIQBDCJNQFEJ-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000985821669 749172469 /nfs/dbraw/zinc/17/24/69/749172469.db2.gz BUQPDDHFHPMYRR-UHFFFAOYSA-N 1 1 344.415 0.798 20 30 ECEDMO CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC1 ZINC000985824508 749177211 /nfs/dbraw/zinc/17/72/11/749177211.db2.gz GNWCVFIJGQQICT-UHFFFAOYSA-N 1 1 344.419 0.402 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]2C1 ZINC000980210309 749189955 /nfs/dbraw/zinc/18/99/55/749189955.db2.gz XORDTUPAOFRSCB-YNEHKIRRSA-N 1 1 342.403 0.434 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 ZINC000980230088 749225835 /nfs/dbraw/zinc/22/58/35/749225835.db2.gz KGSUZKOKZGWYAD-HRCADAONSA-N 1 1 347.463 0.683 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC000980240543 749244710 /nfs/dbraw/zinc/24/47/10/749244710.db2.gz DIZFGCZSFBJXPC-MELADBBJSA-N 1 1 334.420 0.331 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC000980253229 749259348 /nfs/dbraw/zinc/25/93/48/749259348.db2.gz MGULSJPSKMIWQJ-SOUVJXGZSA-N 1 1 333.432 0.928 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC001004199963 749306412 /nfs/dbraw/zinc/30/64/12/749306412.db2.gz YKRSCDFLENMEDS-CQSZACIVSA-N 1 1 340.427 0.593 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)c(C)c(C)[nH+]1 ZINC001105807835 761948465 /nfs/dbraw/zinc/94/84/65/761948465.db2.gz GRQUTHCMYKXDEJ-CYBMUJFWSA-N 1 1 328.376 0.804 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCN(C)C3=O)C2)nc1 ZINC001029892494 749472383 /nfs/dbraw/zinc/47/23/83/749472383.db2.gz RQPQGDUURFDBKB-NVXWUHKLSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC001004446357 749508354 /nfs/dbraw/zinc/50/83/54/749508354.db2.gz KMWAQQSCZLPEFI-HOCLYGCPSA-N 1 1 345.443 0.860 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC001004455985 749522179 /nfs/dbraw/zinc/52/21/79/749522179.db2.gz LFJBABZLTNUQJC-GUYCJALGSA-N 1 1 340.427 0.449 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001004536452 749603610 /nfs/dbraw/zinc/60/36/10/749603610.db2.gz WTVVTJISPQMWSN-CVEARBPZSA-N 1 1 349.475 0.884 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001004549339 749610484 /nfs/dbraw/zinc/61/04/84/749610484.db2.gz XIWNFQUQEHRWIH-YESZJQIVSA-N 1 1 347.459 0.746 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004622990 749700892 /nfs/dbraw/zinc/70/08/92/749700892.db2.gz OVGHQDAWWIWFAW-CABCVRRESA-N 1 1 341.477 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001004657461 749734183 /nfs/dbraw/zinc/73/41/83/749734183.db2.gz NANGJJNUAGZFRS-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001004657461 749734188 /nfs/dbraw/zinc/73/41/88/749734188.db2.gz NANGJJNUAGZFRS-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnc[nH]c2=O)C1=O ZINC001027958434 749892520 /nfs/dbraw/zinc/89/25/20/749892520.db2.gz ICDBBMASAGIVEN-TZMCWYRMSA-N 1 1 345.403 0.163 20 30 ECEDMO CC(C)OCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 ZINC001098633887 750122874 /nfs/dbraw/zinc/12/28/74/750122874.db2.gz NGGSWJDXUNGVFL-ZFWWWQNUSA-N 1 1 334.424 0.726 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCC1 ZINC001058849220 750149012 /nfs/dbraw/zinc/14/90/12/750149012.db2.gz PJKXWGSJGACGRX-HOTGVXAUSA-N 1 1 349.475 0.315 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001005257948 750430436 /nfs/dbraw/zinc/43/04/36/750430436.db2.gz AUIRUEXSAXBQPT-UHFFFAOYSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cnccn2)C1 ZINC001005619244 750451987 /nfs/dbraw/zinc/45/19/87/750451987.db2.gz DTABQIUMUNACCX-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cnccn2)C1 ZINC001005619244 750451992 /nfs/dbraw/zinc/45/19/92/750451992.db2.gz DTABQIUMUNACCX-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001028068945 750471038 /nfs/dbraw/zinc/47/10/38/750471038.db2.gz YZXJPNDVIRKIFI-CHWSQXEVSA-N 1 1 332.408 0.094 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001028068945 750471044 /nfs/dbraw/zinc/47/10/44/750471044.db2.gz YZXJPNDVIRKIFI-CHWSQXEVSA-N 1 1 332.408 0.094 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)ccc1F ZINC001028071360 750482769 /nfs/dbraw/zinc/48/27/69/750482769.db2.gz BMHQQABKPPXVBF-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)ccc1F ZINC001028071360 750482771 /nfs/dbraw/zinc/48/27/71/750482771.db2.gz BMHQQABKPPXVBF-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncc(C)cn3)[C@@H]2C)nn1 ZINC000987131707 750517647 /nfs/dbraw/zinc/51/76/47/750517647.db2.gz GEHTXIQGQYUQHL-KBPBESRZSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+]Cc2nc([C@@H](C)OC)no2)nn1 ZINC001167838422 750520179 /nfs/dbraw/zinc/52/01/79/750520179.db2.gz FKOLKWXUBPEKFU-LLVKDONJSA-N 1 1 349.395 0.464 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(CC)n3)[C@H]2C)nn1 ZINC000987133818 750528528 /nfs/dbraw/zinc/52/85/28/750528528.db2.gz LGOBQMWUJCYCQF-TZMCWYRMSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1=O ZINC000981341225 750597719 /nfs/dbraw/zinc/59/77/19/750597719.db2.gz XRZALILFKRYGRS-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001005862314 750741627 /nfs/dbraw/zinc/74/16/27/750741627.db2.gz LILFQIZCAWBJIP-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ocnc2C)C1 ZINC001005863152 750742825 /nfs/dbraw/zinc/74/28/25/750742825.db2.gz YILLEUFUGPPADF-DOMZBBRYSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ocnc2C)C1 ZINC001005863152 750742828 /nfs/dbraw/zinc/74/28/28/750742828.db2.gz YILLEUFUGPPADF-DOMZBBRYSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cn(C)cn2)C1 ZINC001005900810 750777891 /nfs/dbraw/zinc/77/78/91/750777891.db2.gz NSDUHYFOBQKXCM-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cn(C)cn2)C1 ZINC001005900810 750777897 /nfs/dbraw/zinc/77/78/97/750777897.db2.gz NSDUHYFOBQKXCM-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2ccc(=O)n(CCOC)c2)CC1 ZINC000981536867 750785946 /nfs/dbraw/zinc/78/59/46/750785946.db2.gz LTIRMPCZLKFIOQ-UHFFFAOYSA-N 1 1 331.416 0.666 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001005929168 750812789 /nfs/dbraw/zinc/81/27/89/750812789.db2.gz ODLVFDUJXWPWGH-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccn(C)c(=O)c1)C2 ZINC000981670370 750950183 /nfs/dbraw/zinc/95/01/83/750950183.db2.gz SQWWTTXGHIOCGG-AWEZNQCLSA-N 1 1 328.416 0.969 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000981722100 751014317 /nfs/dbraw/zinc/01/43/17/751014317.db2.gz LHCAANKPEPDSGA-CQSZACIVSA-N 1 1 329.404 0.688 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC000981758591 751081106 /nfs/dbraw/zinc/08/11/06/751081106.db2.gz WEYZLFZKAHSKKU-AWEZNQCLSA-N 1 1 329.444 0.991 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001006185803 751100767 /nfs/dbraw/zinc/10/07/67/751100767.db2.gz HZKYJIOPIPBHLY-UKRRQHHQSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001006185803 751100770 /nfs/dbraw/zinc/10/07/70/751100770.db2.gz HZKYJIOPIPBHLY-UKRRQHHQSA-N 1 1 337.464 0.882 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)n1 ZINC001059824416 751118207 /nfs/dbraw/zinc/11/82/07/751118207.db2.gz AFAOHWHQKSGQDK-IKVITTDRSA-N 1 1 328.420 0.914 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)Cn3ccc(=O)n(C)c3=O)C2)C1 ZINC000981802820 751119562 /nfs/dbraw/zinc/11/95/62/751119562.db2.gz OAEMGXBHOGKXGY-UHFFFAOYSA-N 1 1 346.431 0.048 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H](CC)C(N)=O)C2 ZINC000981819061 751135507 /nfs/dbraw/zinc/13/55/07/751135507.db2.gz LNICTDWPCWKCNJ-CVEARBPZSA-N 1 1 346.475 0.272 20 30 ECEDMO C=CCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)Cc3ncn[nH]3)C2)nn1 ZINC001105358371 751197391 /nfs/dbraw/zinc/19/73/91/751197391.db2.gz YHDTYQTYAVCJSX-LBPRGKRZSA-N 1 1 344.423 0.467 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981877934 751237797 /nfs/dbraw/zinc/23/77/97/751237797.db2.gz JOWRRQZIGQEGMS-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981877934 751237798 /nfs/dbraw/zinc/23/77/98/751237798.db2.gz JOWRRQZIGQEGMS-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccoc2)C1 ZINC001006320125 751242471 /nfs/dbraw/zinc/24/24/71/751242471.db2.gz NOBRVWFKXIEGFC-BBRMVZONSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccoc2)C1 ZINC001006320125 751242474 /nfs/dbraw/zinc/24/24/74/751242474.db2.gz NOBRVWFKXIEGFC-BBRMVZONSA-N 1 1 329.400 0.954 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C2)C1 ZINC000981918770 751267721 /nfs/dbraw/zinc/26/77/21/751267721.db2.gz HZPZPFBOLWYIEK-JKSUJKDBSA-N 1 1 335.448 0.733 20 30 ECEDMO C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006353732 751281639 /nfs/dbraw/zinc/28/16/39/751281639.db2.gz CRYRMZOHTJUTON-LBPRGKRZSA-N 1 1 344.415 0.726 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001059909990 752396974 /nfs/dbraw/zinc/39/69/74/752396974.db2.gz FWKPHXJQFRGCOR-HIFRSBDPSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001007463296 752411373 /nfs/dbraw/zinc/41/13/73/752411373.db2.gz ZYGSUYZCUZGVHG-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001059911826 752459998 /nfs/dbraw/zinc/45/99/98/752459998.db2.gz QCAUCBOOSJCRMQ-KGLIPLIRSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001059911826 752460006 /nfs/dbraw/zinc/46/00/06/752460006.db2.gz QCAUCBOOSJCRMQ-KGLIPLIRSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001059911825 752460240 /nfs/dbraw/zinc/46/02/40/752460240.db2.gz QCAUCBOOSJCRMQ-KBPBESRZSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001059911825 752460247 /nfs/dbraw/zinc/46/02/47/752460247.db2.gz QCAUCBOOSJCRMQ-KBPBESRZSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nnc(CC)o2)C1 ZINC001007520241 752476590 /nfs/dbraw/zinc/47/65/90/752476590.db2.gz ZRRSNRVFFUEMRF-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nnc(CC)o2)C1 ZINC001007520241 752476597 /nfs/dbraw/zinc/47/65/97/752476597.db2.gz ZRRSNRVFFUEMRF-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000937851088 752563534 /nfs/dbraw/zinc/56/35/34/752563534.db2.gz PERFBSIIGWLEFH-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C#CC2CC2)CCO3)C1 ZINC001007657590 752726149 /nfs/dbraw/zinc/72/61/49/752726149.db2.gz NESNPIGOLJCCBU-QFBILLFUSA-N 1 1 345.443 0.181 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464765 752753695 /nfs/dbraw/zinc/75/36/95/752753695.db2.gz FEPHXWUWEMNITI-BBRMVZONSA-N 1 1 348.472 0.888 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)c1 ZINC001028469746 752757735 /nfs/dbraw/zinc/75/77/35/752757735.db2.gz VFOLFPBYSIVHMV-ZFWWWQNUSA-N 1 1 342.403 0.196 20 30 ECEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@H](OC)C1 ZINC001212170294 762156088 /nfs/dbraw/zinc/15/60/88/762156088.db2.gz QYVHPWGJZPSVMU-BFHYXJOUSA-N 1 1 328.457 0.829 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001007678406 752770554 /nfs/dbraw/zinc/77/05/54/752770554.db2.gz VVIKDACKLXNWEX-DYVFJYSZSA-N 1 1 345.403 0.181 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1)C1CC1 ZINC001028488886 752824584 /nfs/dbraw/zinc/82/45/84/752824584.db2.gz JQXWOPKKFBMDJP-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001028489020 752825302 /nfs/dbraw/zinc/82/53/02/752825302.db2.gz RIFALPDTMBMPPM-GFCCVEGCSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001028489020 752825306 /nfs/dbraw/zinc/82/53/06/752825306.db2.gz RIFALPDTMBMPPM-GFCCVEGCSA-N 1 1 340.387 0.937 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028487353 752833090 /nfs/dbraw/zinc/83/30/90/752833090.db2.gz VTGLLFMMEHJLCY-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)CCN(C)c1cc(CC)[nH+]c(C)n1 ZINC001105368918 752880399 /nfs/dbraw/zinc/88/03/99/752880399.db2.gz HEIKKOGCIIQVCQ-UHFFFAOYSA-N 1 1 331.420 0.382 20 30 ECEDMO C[NH+]=C(NC[C@H](C)N1CCN(C)CC1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261732890 752990209 /nfs/dbraw/zinc/99/02/09/752990209.db2.gz KIFRHSKPWLWPHQ-RRFJBIMHSA-N 1 1 325.501 0.601 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@@H](CC)C2)c1=O ZINC000126241194 752995875 /nfs/dbraw/zinc/99/58/75/752995875.db2.gz WFNJJPNWRKJXEJ-CQSZACIVSA-N 1 1 334.420 0.623 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@@H](CC)C2)c1=O ZINC000126241194 752995879 /nfs/dbraw/zinc/99/58/79/752995879.db2.gz WFNJJPNWRKJXEJ-CQSZACIVSA-N 1 1 334.420 0.623 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028518523 753013438 /nfs/dbraw/zinc/01/34/38/753013438.db2.gz CSNXTSPFPIUUMM-VHSXEESVSA-N 1 1 332.198 0.442 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028518523 753013442 /nfs/dbraw/zinc/01/34/42/753013442.db2.gz CSNXTSPFPIUUMM-VHSXEESVSA-N 1 1 332.198 0.442 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC001126382776 753150168 /nfs/dbraw/zinc/15/01/68/753150168.db2.gz BVCBXTLWPKWKRE-CXAGYDPISA-N 1 1 344.419 0.756 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC001007970304 753151706 /nfs/dbraw/zinc/15/17/06/753151706.db2.gz QKOJZDICEQBNAP-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001007999177 753190290 /nfs/dbraw/zinc/19/02/90/753190290.db2.gz TZFLQWCCEDCDIW-ZIAGYGMSSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001007999177 753190295 /nfs/dbraw/zinc/19/02/95/753190295.db2.gz TZFLQWCCEDCDIW-ZIAGYGMSSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C[C@@]2(C)C1 ZINC000982639991 753192709 /nfs/dbraw/zinc/19/27/09/753192709.db2.gz DFFVEAKOCRMIJY-CWRNSKLLSA-N 1 1 341.477 0.377 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001008015030 753199719 /nfs/dbraw/zinc/19/97/19/753199719.db2.gz JKQUXAXZAXFICP-HIFRSBDPSA-N 1 1 331.420 0.912 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000989064719 753201935 /nfs/dbraw/zinc/20/19/35/753201935.db2.gz JZYVOKRIZXXBNJ-ULQDDVLXSA-N 1 1 346.475 0.143 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000982648537 753210300 /nfs/dbraw/zinc/21/03/00/753210300.db2.gz OHMJOCXMHZFDJO-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001008065272 753262999 /nfs/dbraw/zinc/26/29/99/753262999.db2.gz ZMWCLUHDURCBQR-KGLIPLIRSA-N 1 1 329.391 0.556 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@]2(C)C1 ZINC000982702107 753337957 /nfs/dbraw/zinc/33/79/57/753337957.db2.gz CDPPACIDSRMPNV-HDICACEKSA-N 1 1 348.447 0.673 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001054238985 767849803 /nfs/dbraw/zinc/84/98/03/767849803.db2.gz HSNNADPENYYJSL-KRWDZBQOSA-N 1 1 330.388 0.047 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C)nc1 ZINC000989159169 753387983 /nfs/dbraw/zinc/38/79/83/753387983.db2.gz LFIVYMNIXHOFQX-KMFMINBZSA-N 1 1 340.427 0.876 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001008177040 753425494 /nfs/dbraw/zinc/42/54/94/753425494.db2.gz PELZTFJZEIKBQC-HZPDHXFCSA-N 1 1 341.415 0.662 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C[C@@]2(C)C1 ZINC000982729411 753429595 /nfs/dbraw/zinc/42/95/95/753429595.db2.gz WJLDAUYTOVOVOA-XWIAVFTESA-N 1 1 327.432 0.713 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@]3(C)C[N@H+]([C@H](C)C(N)=O)C[C@]3(C)C2)cn1 ZINC000982744575 753459108 /nfs/dbraw/zinc/45/91/08/753459108.db2.gz MEHQFWAVIAFGQH-ZNOIYHFQSA-N 1 1 340.427 0.721 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001008206163 753462087 /nfs/dbraw/zinc/46/20/87/753462087.db2.gz DGSMUTNYSCGBDW-JKSUJKDBSA-N 1 1 347.459 0.474 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001008206163 753462090 /nfs/dbraw/zinc/46/20/90/753462090.db2.gz DGSMUTNYSCGBDW-JKSUJKDBSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)[C@H]2C)C1=O ZINC001088642404 753502592 /nfs/dbraw/zinc/50/25/92/753502592.db2.gz DLGMMZWTUOKIBW-FRRDWIJNSA-N 1 1 347.419 0.403 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)[C@H]2C)C1=O ZINC001088642404 753502595 /nfs/dbraw/zinc/50/25/95/753502595.db2.gz DLGMMZWTUOKIBW-FRRDWIJNSA-N 1 1 347.419 0.403 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@@H](C)OC)CC1(C)C ZINC001008279480 753542077 /nfs/dbraw/zinc/54/20/77/753542077.db2.gz XKULRPGLYXGOLA-ILXRZTDVSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@@H](C)OC)CC1(C)C ZINC001008279480 753542080 /nfs/dbraw/zinc/54/20/80/753542080.db2.gz XKULRPGLYXGOLA-ILXRZTDVSA-N 1 1 335.448 0.472 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)CNC3=O)C[C@@]2(C)C1 ZINC000982785482 753556438 /nfs/dbraw/zinc/55/64/38/753556438.db2.gz WJWTXFSASXADJB-HDICACEKSA-N 1 1 348.447 0.675 20 30 ECEDMO C#CCNC(=O)CC(=O)N1C[C@H]2C[N@H+](C[C@H](CC)OC)C[C@@]2(C)C1 ZINC001101207718 753556948 /nfs/dbraw/zinc/55/69/48/753556948.db2.gz PQODPYLHLNOSMT-VKJFTORMSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3nccnc3C(N)=O)C[C@@]2(C)C1 ZINC000982793501 753619816 /nfs/dbraw/zinc/61/98/16/753619816.db2.gz ZTALNZXZFVTZIG-HDICACEKSA-N 1 1 341.415 0.383 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1C ZINC001088661500 753639472 /nfs/dbraw/zinc/63/94/72/753639472.db2.gz HPOVVCYQDKWJAI-OCCSQVGLSA-N 1 1 326.462 0.966 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC001088674521 753677908 /nfs/dbraw/zinc/67/79/08/753677908.db2.gz NAXYIZRULXTIDT-PWSUYJOCSA-N 1 1 325.390 0.143 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC001088674521 753677910 /nfs/dbraw/zinc/67/79/10/753677910.db2.gz NAXYIZRULXTIDT-PWSUYJOCSA-N 1 1 325.390 0.143 20 30 ECEDMO Cn1cc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)cn1 ZINC001083364449 753689156 /nfs/dbraw/zinc/68/91/56/753689156.db2.gz NNJOGCMFFWXQKL-SJORKVTESA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)cn1 ZINC001083364449 753689161 /nfs/dbraw/zinc/68/91/61/753689161.db2.gz NNJOGCMFFWXQKL-SJORKVTESA-N 1 1 339.399 0.196 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101219016 753696929 /nfs/dbraw/zinc/69/69/29/753696929.db2.gz PGLCVIFIJRJWIG-JLSDUUJJSA-N 1 1 335.448 0.326 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001101960588 753700778 /nfs/dbraw/zinc/70/07/78/753700778.db2.gz HBYMUVCWBXLIQY-HUUCEWRRSA-N 1 1 344.477 0.145 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001083368611 753705443 /nfs/dbraw/zinc/70/54/43/753705443.db2.gz RKLLFHRVFPWBNN-IKGGRYGDSA-N 1 1 346.406 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC23CC3)C1 ZINC000989371568 753710092 /nfs/dbraw/zinc/71/00/92/753710092.db2.gz FBCPMBFCRZBXEZ-XHSDSOJGSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC23CC3)C1 ZINC000989371568 753710096 /nfs/dbraw/zinc/71/00/96/753710096.db2.gz FBCPMBFCRZBXEZ-XHSDSOJGSA-N 1 1 329.444 0.991 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001008470701 753774090 /nfs/dbraw/zinc/77/40/90/753774090.db2.gz VXANYRAZXUMKFQ-JKSUJKDBSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001008470701 753774094 /nfs/dbraw/zinc/77/40/94/753774094.db2.gz VXANYRAZXUMKFQ-JKSUJKDBSA-N 1 1 326.400 0.536 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c1 ZINC001083391516 753790813 /nfs/dbraw/zinc/79/08/13/753790813.db2.gz GHHBTIJPTSFGQE-SJORKVTESA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c1 ZINC001083391516 753790817 /nfs/dbraw/zinc/79/08/17/753790817.db2.gz GHHBTIJPTSFGQE-SJORKVTESA-N 1 1 335.367 0.733 20 30 ECEDMO Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)n1 ZINC001083392478 753793699 /nfs/dbraw/zinc/79/36/99/753793699.db2.gz KSFYFQAUHMBPEZ-CVEARBPZSA-N 1 1 342.403 0.175 20 30 ECEDMO Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)n1 ZINC001083392478 753793706 /nfs/dbraw/zinc/79/37/06/753793706.db2.gz KSFYFQAUHMBPEZ-CVEARBPZSA-N 1 1 342.403 0.175 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)nn2)C1 ZINC001105531656 753799891 /nfs/dbraw/zinc/79/98/91/753799891.db2.gz DTTZKOSFYAVIJM-OAHLLOKOSA-N 1 1 346.435 0.352 20 30 ECEDMO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@]2(C)C1 ZINC000982818710 753850078 /nfs/dbraw/zinc/85/00/78/753850078.db2.gz BHHKIHMYRXWHDE-YTQUADARSA-N 1 1 333.476 0.901 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001008573327 753925930 /nfs/dbraw/zinc/92/59/30/753925930.db2.gz AHYYYLBQAUNSJO-KFWWJZLASA-N 1 1 336.436 0.183 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc(C(N)=O)n3)C[C@@]2(C)C1 ZINC000982843004 753958854 /nfs/dbraw/zinc/95/88/54/753958854.db2.gz YSEJDRMWKGXUNR-KDURUIRLSA-N 1 1 340.427 0.988 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001075942953 753962987 /nfs/dbraw/zinc/96/29/87/753962987.db2.gz WSVRCXFAQSGMSR-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cc(OC)no3)C[C@@H]2C)nn1 ZINC000989535588 754079037 /nfs/dbraw/zinc/07/90/37/754079037.db2.gz CDKYJLKVKCUPDJ-NWDGAFQWSA-N 1 1 346.391 0.854 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3[nH]cnc3C)CC2)C1=O ZINC000989563604 754117384 /nfs/dbraw/zinc/11/73/84/754117384.db2.gz XUVCJSTXZVAMMX-MRXNPFEDSA-N 1 1 345.447 0.582 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3[nH]cnc3C)CC2)C1=O ZINC000989563604 754117391 /nfs/dbraw/zinc/11/73/91/754117391.db2.gz XUVCJSTXZVAMMX-MRXNPFEDSA-N 1 1 345.447 0.582 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 ZINC001105866764 762272314 /nfs/dbraw/zinc/27/23/14/762272314.db2.gz IYUQYUPWZVRVDY-CQSZACIVSA-N 1 1 328.376 0.356 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccncn2)C1 ZINC000982922021 754203865 /nfs/dbraw/zinc/20/38/65/754203865.db2.gz IZGIEQQUZRWXFH-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccncn2)C1 ZINC000982922021 754203877 /nfs/dbraw/zinc/20/38/77/754203877.db2.gz IZGIEQQUZRWXFH-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC000982922105 754204237 /nfs/dbraw/zinc/20/42/37/754204237.db2.gz JTCIXEWPOWEJLS-HOCLYGCPSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC000982922105 754204240 /nfs/dbraw/zinc/20/42/40/754204240.db2.gz JTCIXEWPOWEJLS-HOCLYGCPSA-N 1 1 343.431 0.394 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000982955259 754285780 /nfs/dbraw/zinc/28/57/80/754285780.db2.gz AFUIVUYKPNPQHS-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001008904364 754288447 /nfs/dbraw/zinc/28/84/47/754288447.db2.gz JWVVSHKYVDRFQL-LVQVYYBASA-N 1 1 349.475 0.740 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001008904364 754288450 /nfs/dbraw/zinc/28/84/50/754288450.db2.gz JWVVSHKYVDRFQL-LVQVYYBASA-N 1 1 349.475 0.740 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001008923825 754316294 /nfs/dbraw/zinc/31/62/94/754316294.db2.gz RLZCVBQMYXOSAY-AYDFFVQHSA-N 1 1 341.415 0.415 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001028662215 754398970 /nfs/dbraw/zinc/39/89/70/754398970.db2.gz VDUNFVPODVHYRS-LBPRGKRZSA-N 1 1 328.372 0.488 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000983009296 754415716 /nfs/dbraw/zinc/41/57/16/754415716.db2.gz KXELDXJOBIVWLL-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC001149182011 754422892 /nfs/dbraw/zinc/42/28/92/754422892.db2.gz LMNQIUUUYLQNOC-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC001149182011 754422899 /nfs/dbraw/zinc/42/28/99/754422899.db2.gz LMNQIUUUYLQNOC-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNc1snc(Cl)c1C#N ZINC001105869337 762303889 /nfs/dbraw/zinc/30/38/89/762303889.db2.gz PVQRJOVBHAOPPB-VIFPVBQESA-N 1 1 345.856 0.897 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cnc3sccn3c2=O)C1 ZINC001028670907 754532769 /nfs/dbraw/zinc/53/27/69/754532769.db2.gz VXWBJZUREKVYCK-LBPRGKRZSA-N 1 1 330.413 0.831 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC(C)(C)O)C[C@H]21 ZINC001009195013 754638558 /nfs/dbraw/zinc/63/85/58/754638558.db2.gz YZMHRLZQLQGGPW-JONQDZQNSA-N 1 1 347.459 0.066 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC(C)(C)O)C[C@H]21 ZINC001009195013 754638562 /nfs/dbraw/zinc/63/85/62/754638562.db2.gz YZMHRLZQLQGGPW-JONQDZQNSA-N 1 1 347.459 0.066 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC001009243029 754701441 /nfs/dbraw/zinc/70/14/41/754701441.db2.gz HKNXYAXCNWNJPN-HOTGVXAUSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC001009243029 754701443 /nfs/dbraw/zinc/70/14/43/754701443.db2.gz HKNXYAXCNWNJPN-HOTGVXAUSA-N 1 1 326.400 0.917 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cc(F)c[nH]3)C2)C1=O ZINC001028697527 754703001 /nfs/dbraw/zinc/70/30/01/754703001.db2.gz QOGAOYVIOBLSEM-IUODEOHRSA-N 1 1 334.395 0.992 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000983149299 754720524 /nfs/dbraw/zinc/72/05/24/754720524.db2.gz AMBQHHPTXJSELZ-ZBFHGGJFSA-N 1 1 344.415 0.279 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000983149299 754720529 /nfs/dbraw/zinc/72/05/29/754720529.db2.gz AMBQHHPTXJSELZ-ZBFHGGJFSA-N 1 1 344.415 0.279 20 30 ECEDMO CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)nn1 ZINC001051554441 762328725 /nfs/dbraw/zinc/32/87/25/762328725.db2.gz FWMJCNWQIJERKV-CQSZACIVSA-N 1 1 343.391 0.129 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCn2cncn2)CC3)c1 ZINC000990160804 754786406 /nfs/dbraw/zinc/78/64/06/754786406.db2.gz KVJCGBWPSOURMR-DOTOQJQBSA-N 1 1 339.403 0.905 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001028712022 754793666 /nfs/dbraw/zinc/79/36/66/754793666.db2.gz JIWGJAKXQRVNOW-UONOGXRCSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001028712012 754793942 /nfs/dbraw/zinc/79/39/42/754793942.db2.gz JFJRKWLVVOYOII-QZTJIDSGSA-N 1 1 333.476 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 ZINC001009371925 754819998 /nfs/dbraw/zinc/81/99/98/754819998.db2.gz MEXOLCWBUWEPSU-JNNCMOEMSA-N 1 1 329.444 0.561 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 ZINC001009371925 754820002 /nfs/dbraw/zinc/82/00/02/754820002.db2.gz MEXOLCWBUWEPSU-JNNCMOEMSA-N 1 1 329.444 0.561 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990252886 754879934 /nfs/dbraw/zinc/87/99/34/754879934.db2.gz RONBAKZQMCBDNX-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1)c1nncn1C ZINC001051562534 762343298 /nfs/dbraw/zinc/34/32/98/762343298.db2.gz HYENKSOSIVZHSC-FZMZJTMJSA-N 1 1 343.391 0.207 20 30 ECEDMO O=C(NC[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC1=O ZINC001028734991 754919544 /nfs/dbraw/zinc/91/95/44/754919544.db2.gz FKZXDACETVAYKP-NVXWUHKLSA-N 1 1 343.402 0.751 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001028744043 754951003 /nfs/dbraw/zinc/95/10/03/754951003.db2.gz HCUAIKYMBLAYAR-GFCCVEGCSA-N 1 1 343.366 0.473 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccn(C)n3)C2)C1=O ZINC001009537573 754987323 /nfs/dbraw/zinc/98/73/23/754987323.db2.gz NRSNMMZTDYPRKL-UKRRQHHQSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccn(C)n3)C2)C1=O ZINC001009537573 754987326 /nfs/dbraw/zinc/98/73/26/754987326.db2.gz NRSNMMZTDYPRKL-UKRRQHHQSA-N 1 1 331.420 0.401 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001059109035 755035685 /nfs/dbraw/zinc/03/56/85/755035685.db2.gz WOKHOMYLCZEIAD-KWCYVHTRSA-N 1 1 330.392 0.080 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001059109035 755035687 /nfs/dbraw/zinc/03/56/87/755035687.db2.gz WOKHOMYLCZEIAD-KWCYVHTRSA-N 1 1 330.392 0.080 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3c[nH]c(=O)cn3)C2)s1 ZINC001028766560 755037231 /nfs/dbraw/zinc/03/72/31/755037231.db2.gz VVSMQAZEBRQZGP-NSHDSACASA-N 1 1 343.412 0.955 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001028780709 755095057 /nfs/dbraw/zinc/09/50/57/755095057.db2.gz MRZRHKCZYSXRDO-HIFRSBDPSA-N 1 1 333.432 0.976 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000983303840 755109455 /nfs/dbraw/zinc/10/94/55/755109455.db2.gz OHRKDFHVCSTLMA-KBPBESRZSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001028795013 755145176 /nfs/dbraw/zinc/14/51/76/755145176.db2.gz QMPFCHSDERAWBQ-ZFWWWQNUSA-N 1 1 340.427 0.782 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CNc3nccnc3C#N)C2)C1 ZINC001060034248 755155622 /nfs/dbraw/zinc/15/56/22/755155622.db2.gz DECGZAHKKHGWOH-KGLIPLIRSA-N 1 1 328.420 0.950 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](CNc3nccnc3C#N)C2)C1 ZINC001060034250 755155683 /nfs/dbraw/zinc/15/56/83/755155683.db2.gz DECGZAHKKHGWOH-ZIAGYGMSSA-N 1 1 328.420 0.950 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNc3ccncc3C#N)C2)C1 ZINC001060034496 755160490 /nfs/dbraw/zinc/16/04/90/755160490.db2.gz JYTPGNSVEMBNDC-GJZGRUSLSA-N 1 1 327.432 0.977 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028808005 755195242 /nfs/dbraw/zinc/19/52/42/755195242.db2.gz YULDFRLRXZXJEJ-LYRGGWFBSA-N 1 1 344.390 0.757 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028808005 755195246 /nfs/dbraw/zinc/19/52/46/755195246.db2.gz YULDFRLRXZXJEJ-LYRGGWFBSA-N 1 1 344.390 0.757 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001083470868 755328199 /nfs/dbraw/zinc/32/81/99/755328199.db2.gz RZZLKYZVDAXMQY-NCOADZHNSA-N 1 1 348.447 0.371 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001083470868 755328200 /nfs/dbraw/zinc/32/82/00/755328200.db2.gz RZZLKYZVDAXMQY-NCOADZHNSA-N 1 1 348.447 0.371 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCOCC2)CC1 ZINC001009754643 755364018 /nfs/dbraw/zinc/36/40/18/755364018.db2.gz CIDBBSXUGODNKR-INIZCTEOSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCOCC2)CC1 ZINC001009754643 755364023 /nfs/dbraw/zinc/36/40/23/755364023.db2.gz CIDBBSXUGODNKR-INIZCTEOSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3oncc3C)C2)C1=O ZINC001028902906 755442093 /nfs/dbraw/zinc/44/20/93/755442093.db2.gz HYECNINCHGPJGD-KBPBESRZSA-N 1 1 332.404 0.822 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001028919535 755480309 /nfs/dbraw/zinc/48/03/09/755480309.db2.gz ZYIAOPAQDMISKX-KBPBESRZSA-N 1 1 346.431 0.833 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)ccc1F ZINC001010091526 755645951 /nfs/dbraw/zinc/64/59/51/755645951.db2.gz BZHYHMBDEGUWSL-ZDUSSCGKSA-N 1 1 329.339 0.075 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)ccc1F ZINC001010091526 755645954 /nfs/dbraw/zinc/64/59/54/755645954.db2.gz BZHYHMBDEGUWSL-ZDUSSCGKSA-N 1 1 329.339 0.075 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)c1 ZINC000990703297 755651901 /nfs/dbraw/zinc/65/19/01/755651901.db2.gz IOSBOSLHRAAQFN-GDBMZVCRSA-N 1 1 341.415 0.844 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C(F)F)[C@@H](O)C1 ZINC001083490216 755678392 /nfs/dbraw/zinc/67/83/92/755678392.db2.gz UXXZNAVMTOLOCI-YPMHNXCESA-N 1 1 328.363 0.867 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2COc3ccccc3O2)[C@@H](O)C1 ZINC001083494223 755696290 /nfs/dbraw/zinc/69/62/90/755696290.db2.gz PVUAXAVAUIHFJE-ZNMIVQPWSA-N 1 1 332.400 0.954 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2COc3ccccc3O2)[C@@H](O)C1 ZINC001083494121 755696641 /nfs/dbraw/zinc/69/66/41/755696641.db2.gz KVNCAGHXCBTWOL-ZNMIVQPWSA-N 1 1 332.400 0.954 20 30 ECEDMO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CCn3ncn(C)c3=O)C2)C1 ZINC001040299128 755719849 /nfs/dbraw/zinc/71/98/49/755719849.db2.gz CPSULFISYZLIDZ-SFHVURJKSA-N 1 1 345.447 0.310 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)cnn3C)[C@H]2C)C1=O ZINC001088802268 755740663 /nfs/dbraw/zinc/74/06/63/755740663.db2.gz QTLMGVADOWOVEK-QLFBSQMISA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)cnn3C)[C@H]2C)C1=O ZINC001088802268 755740666 /nfs/dbraw/zinc/74/06/66/755740666.db2.gz QTLMGVADOWOVEK-QLFBSQMISA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cnoc3)[C@H]2C)C1=O ZINC001088811691 755787528 /nfs/dbraw/zinc/78/75/28/755787528.db2.gz QKGWYDNLDVQAEL-VHDGCEQUSA-N 1 1 332.404 0.583 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnoc3)[C@H]2C)C1=O ZINC001088811691 755787532 /nfs/dbraw/zinc/78/75/32/755787532.db2.gz QKGWYDNLDVQAEL-VHDGCEQUSA-N 1 1 332.404 0.583 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccccn2)[C@@H](O)C1 ZINC001083512137 755816939 /nfs/dbraw/zinc/81/69/39/755816939.db2.gz AHQGWCOQDJELPQ-CABCVRRESA-N 1 1 327.388 0.823 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnn(C)c3N)C2)nn1 ZINC001098659439 755819448 /nfs/dbraw/zinc/81/94/48/755819448.db2.gz PHJYIURKPQXPJA-ZDUSSCGKSA-N 1 1 344.423 0.347 20 30 ECEDMO COCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001098659799 755858825 /nfs/dbraw/zinc/85/88/25/755858825.db2.gz UIIBCLGNIQHJGT-CQSZACIVSA-N 1 1 343.391 0.301 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cccnc3)c2)[C@@H](O)C1 ZINC001083521743 755882428 /nfs/dbraw/zinc/88/24/28/755882428.db2.gz FYNZNADLROJILR-CVEARBPZSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccnn3CC)C2)nn1 ZINC001098660168 755903094 /nfs/dbraw/zinc/90/30/94/755903094.db2.gz YJCPVQSBBQIOEM-AWEZNQCLSA-N 1 1 329.408 0.857 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1 ZINC001076012695 755994070 /nfs/dbraw/zinc/99/40/70/755994070.db2.gz TUQFAMCAXFPJBY-GOEBONIOSA-N 1 1 344.415 0.059 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001010337051 756018942 /nfs/dbraw/zinc/01/89/42/756018942.db2.gz CBCKHLXRZOUMTD-KBPBESRZSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001010337051 756018946 /nfs/dbraw/zinc/01/89/46/756018946.db2.gz CBCKHLXRZOUMTD-KBPBESRZSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2ncccn2)[C@@H](O)C1 ZINC001083539433 756025005 /nfs/dbraw/zinc/02/50/05/756025005.db2.gz XWZOUZAOUXMWIG-ILXRZTDVSA-N 1 1 331.420 0.183 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)[C@@H]2C1 ZINC001076087140 756067347 /nfs/dbraw/zinc/06/73/47/756067347.db2.gz HIQBDVMENJARSR-WMLDXEAASA-N 1 1 336.399 0.832 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(C)nn4C3)[C@@H]2C1 ZINC001076079412 756069676 /nfs/dbraw/zinc/06/96/76/756069676.db2.gz VHSXALKPWHVNTJ-ARFHVFGLSA-N 1 1 327.432 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC001010446928 756142017 /nfs/dbraw/zinc/14/20/17/756142017.db2.gz FGQFAWOXHDDONU-CVEARBPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC001010446928 756142022 /nfs/dbraw/zinc/14/20/22/756142022.db2.gz FGQFAWOXHDDONU-CVEARBPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cncnc2C)CC1 ZINC001010454436 756148041 /nfs/dbraw/zinc/14/80/41/756148041.db2.gz MPQVPTYXHUPBPM-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cncnc2C)CC1 ZINC001010454436 756148047 /nfs/dbraw/zinc/14/80/47/756148047.db2.gz MPQVPTYXHUPBPM-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)c1 ZINC001010479922 756170119 /nfs/dbraw/zinc/17/01/19/756170119.db2.gz RXILGKOABYCFOB-CHWSQXEVSA-N 1 1 325.376 0.469 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12 ZINC000991649931 762448925 /nfs/dbraw/zinc/44/89/25/762448925.db2.gz ARFRCUOWJSYNME-CXAGYDPISA-N 1 1 330.388 0.085 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001010535123 756216230 /nfs/dbraw/zinc/21/62/30/756216230.db2.gz MLDVLQJQXFLXBE-ZFWWWQNUSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001010535123 756216233 /nfs/dbraw/zinc/21/62/33/756216233.db2.gz MLDVLQJQXFLXBE-ZFWWWQNUSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001010535123 756216235 /nfs/dbraw/zinc/21/62/35/756216235.db2.gz MLDVLQJQXFLXBE-ZFWWWQNUSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001010535123 756216237 /nfs/dbraw/zinc/21/62/37/756216237.db2.gz MLDVLQJQXFLXBE-ZFWWWQNUSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001010618420 756312491 /nfs/dbraw/zinc/31/24/91/756312491.db2.gz AXMIXXLPBPOXGP-HOTGVXAUSA-N 1 1 328.416 0.602 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001010618420 756312496 /nfs/dbraw/zinc/31/24/96/756312496.db2.gz AXMIXXLPBPOXGP-HOTGVXAUSA-N 1 1 328.416 0.602 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccnnc4)[C@@H]3C2)C1=O ZINC001076282914 756320086 /nfs/dbraw/zinc/32/00/86/756320086.db2.gz SUWIVQDGABTARB-ARFHVFGLSA-N 1 1 341.415 0.410 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@](C)(O)C=C ZINC001076301530 756332664 /nfs/dbraw/zinc/33/26/64/756332664.db2.gz AWEAMVYTJGOSKE-RLFYNMQTSA-N 1 1 335.448 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@](C)(O)C=C ZINC001076301530 756332670 /nfs/dbraw/zinc/33/26/70/756332670.db2.gz AWEAMVYTJGOSKE-RLFYNMQTSA-N 1 1 335.448 0.422 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001010649056 756349746 /nfs/dbraw/zinc/34/97/46/756349746.db2.gz NOINBLJHKGEQBD-MRXNPFEDSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010690861 756402863 /nfs/dbraw/zinc/40/28/63/756402863.db2.gz QACOWAYYDAWKFA-DZGCQCFKSA-N 1 1 327.388 0.477 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010690861 756402867 /nfs/dbraw/zinc/40/28/67/756402867.db2.gz QACOWAYYDAWKFA-DZGCQCFKSA-N 1 1 327.388 0.477 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001010690367 756403073 /nfs/dbraw/zinc/40/30/73/756403073.db2.gz JWRDUAUBQWCEJV-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)nc1 ZINC001076475723 756562738 /nfs/dbraw/zinc/56/27/38/756562738.db2.gz BGOLFXYWIHQAPE-WMLDXEAASA-N 1 1 338.411 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)nc1 ZINC001076475723 756562743 /nfs/dbraw/zinc/56/27/43/756562743.db2.gz BGOLFXYWIHQAPE-WMLDXEAASA-N 1 1 338.411 0.488 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001076507838 756578981 /nfs/dbraw/zinc/57/89/81/756578981.db2.gz XUFNZRGVTHFUIE-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)C[N@H+]2CCC[C@H]2C)nn1 ZINC001076575772 756664556 /nfs/dbraw/zinc/66/45/56/756664556.db2.gz HKYKSZMJDPSRSW-UONOGXRCSA-N 1 1 348.451 0.573 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2ccoc2)CC1 ZINC001010962518 756708311 /nfs/dbraw/zinc/70/83/11/756708311.db2.gz WTJJAMPPRKXYJL-KRWDZBQOSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2ccoc2)CC1 ZINC001010962518 756708314 /nfs/dbraw/zinc/70/83/14/756708314.db2.gz WTJJAMPPRKXYJL-KRWDZBQOSA-N 1 1 343.427 0.981 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccon2)C1 ZINC001051619274 762489123 /nfs/dbraw/zinc/48/91/23/762489123.db2.gz JNVMHDQTAAQCIF-OAGGEKHMSA-N 1 1 335.404 0.973 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4nonc4C)[C@@H]3C2)C1=O ZINC001076635372 756765841 /nfs/dbraw/zinc/76/58/41/756765841.db2.gz RIGLQMSLDUTEKM-MELADBBJSA-N 1 1 345.403 0.311 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001011018540 756771647 /nfs/dbraw/zinc/77/16/47/756771647.db2.gz NYEPHCRKQWQRDE-CYBMUJFWSA-N 1 1 329.404 0.513 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4[nH]cnc4C)[C@@H]3C2)C1=O ZINC001076643779 756773258 /nfs/dbraw/zinc/77/32/58/756773258.db2.gz OIZMYQUWZWSKRT-SOUVJXGZSA-N 1 1 343.431 0.651 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(C#N)n2)C1 ZINC001060129181 756804269 /nfs/dbraw/zinc/80/42/69/756804269.db2.gz JXPVVWDGTNMFJP-UONOGXRCSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(C#N)n2)C1 ZINC001060129181 756804279 /nfs/dbraw/zinc/80/42/79/756804279.db2.gz JXPVVWDGTNMFJP-UONOGXRCSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnnc(C)c2)CC1 ZINC001011051191 756833187 /nfs/dbraw/zinc/83/31/87/756833187.db2.gz NDBYGJVSRJJNQE-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnnc(C)c2)CC1 ZINC001011051191 756833194 /nfs/dbraw/zinc/83/31/94/756833194.db2.gz NDBYGJVSRJJNQE-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@@H](O)C1 ZINC001083552471 756833463 /nfs/dbraw/zinc/83/34/63/756833463.db2.gz HAQYRABDLSBEIS-MNOVXSKESA-N 1 1 330.310 0.846 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)c[nH]1 ZINC000990930797 756880052 /nfs/dbraw/zinc/88/00/52/756880052.db2.gz FKLZYEKRMJDOMU-CVEARBPZSA-N 1 1 341.415 0.844 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)cc1 ZINC001076736067 756940628 /nfs/dbraw/zinc/94/06/28/756940628.db2.gz BAQDJDXBFHPAQT-IAGOWNOFSA-N 1 1 340.383 0.892 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)cc1 ZINC001076736067 756940635 /nfs/dbraw/zinc/94/06/35/756940635.db2.gz BAQDJDXBFHPAQT-IAGOWNOFSA-N 1 1 340.383 0.892 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001107140436 756960638 /nfs/dbraw/zinc/96/06/38/756960638.db2.gz FCPNARDPWJHVNH-OLZOCXBDSA-N 1 1 337.424 0.113 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4coc(C)n4)C[C@H]3C2)C1=O ZINC001048783300 756980205 /nfs/dbraw/zinc/98/02/05/756980205.db2.gz IRGQCEDGGIJUOS-IJEWVQPXSA-N 1 1 344.415 0.774 20 30 ECEDMO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001076770540 757035607 /nfs/dbraw/zinc/03/56/07/757035607.db2.gz WGGCGPNYQKPMPP-GJZGRUSLSA-N 1 1 341.452 0.311 20 30 ECEDMO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001076770540 757035614 /nfs/dbraw/zinc/03/56/14/757035614.db2.gz WGGCGPNYQKPMPP-GJZGRUSLSA-N 1 1 341.452 0.311 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048807704 757060454 /nfs/dbraw/zinc/06/04/54/757060454.db2.gz QXCNRGOZPQZDAT-IKGGRYGDSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4n[nH]cc4C)C[C@H]3C2)C1=O ZINC001048809576 757066482 /nfs/dbraw/zinc/06/64/82/757066482.db2.gz RZCJOZZBMPBZRI-QLFBSQMISA-N 1 1 343.431 0.509 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)nn1 ZINC001048810128 757067687 /nfs/dbraw/zinc/06/76/87/757067687.db2.gz GAUNBLRSDOQSHP-GASCZTMLSA-N 1 1 326.400 0.789 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)CC4(O)CCC4)C[C@H]3C2)C1=O ZINC001048811785 757071902 /nfs/dbraw/zinc/07/19/02/757071902.db2.gz MMICNJJACNKVHO-XHSDSOJGSA-N 1 1 347.459 0.469 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3cn(CCOC)nc3C)C[C@H]2C1 ZINC001048820699 757102479 /nfs/dbraw/zinc/10/24/79/757102479.db2.gz XMDVSIGRLCTNJP-IYBDPMFKSA-N 1 1 330.432 0.865 20 30 ECEDMO CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001048824789 757115308 /nfs/dbraw/zinc/11/53/08/757115308.db2.gz KYBNZBXUCLTKMY-HOTGVXAUSA-N 1 1 349.475 0.408 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@H]2C1 ZINC001048847467 757166406 /nfs/dbraw/zinc/16/64/06/757166406.db2.gz FSSUPAPJJXCXRE-ZACQAIPSSA-N 1 1 349.475 0.838 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3cccc(OCC(N)=O)c3)C[C@H]2C1 ZINC001048848933 757174438 /nfs/dbraw/zinc/17/44/38/757174438.db2.gz YNYWOXILDHPIIH-GASCZTMLSA-N 1 1 329.400 0.741 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cn(-c4cccnc4)nn3)C[C@H]2C1 ZINC001048852934 757186915 /nfs/dbraw/zinc/18/69/15/757186915.db2.gz MOIDBGGYXSFNTP-GASCZTMLSA-N 1 1 336.399 0.689 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnn(CC)n3)C2)nn1 ZINC001098666931 757189209 /nfs/dbraw/zinc/18/92/09/757189209.db2.gz LGLFTQUSOBHFOT-AWEZNQCLSA-N 1 1 344.423 0.642 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001011208320 757191252 /nfs/dbraw/zinc/19/12/52/757191252.db2.gz UIKHQECDYSFYPV-RHSMWYFYSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011209371 757194257 /nfs/dbraw/zinc/19/42/57/757194257.db2.gz XQNPXMJJQLHNEV-ZACQAIPSSA-N 1 1 346.475 0.095 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCc1cn(C2C[NH+]([C@@H](C)COC)C2)nn1 ZINC001107163814 757196864 /nfs/dbraw/zinc/19/68/64/757196864.db2.gz CATWIAOSFAXNNX-LRDDRELGSA-N 1 1 337.424 0.113 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CC[C@H](C)F)C2)nn1 ZINC001107169354 757205297 /nfs/dbraw/zinc/20/52/97/757205297.db2.gz DICBKXISEPGWMD-QWHCGFSZSA-N 1 1 337.399 0.537 20 30 ECEDMO O=C(C#CC1CC1)NCc1cn(C2C[NH+](CC[C@@H]3CCCO3)C2)nn1 ZINC001107169467 757206649 /nfs/dbraw/zinc/20/66/49/757206649.db2.gz JUMPMHQQMXGLAH-KRWDZBQOSA-N 1 1 343.431 0.734 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001011217272 757207079 /nfs/dbraw/zinc/20/70/79/757207079.db2.gz PIAKQOSFSBIISL-YJBOKZPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001011217272 757207088 /nfs/dbraw/zinc/20/70/88/757207088.db2.gz PIAKQOSFSBIISL-YJBOKZPZSA-N 1 1 337.464 0.980 20 30 ECEDMO COC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)C#CC(C)(C)C)nn2)C1 ZINC001107170810 757210374 /nfs/dbraw/zinc/21/03/74/757210374.db2.gz DHEAUPQOWKCCRI-CYBMUJFWSA-N 1 1 333.436 0.835 20 30 ECEDMO C[C@H](O)CCC[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107170832 757210794 /nfs/dbraw/zinc/21/07/94/757210794.db2.gz FDORADYCIXODFL-ZDUSSCGKSA-N 1 1 331.420 0.325 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048864554 757222273 /nfs/dbraw/zinc/22/22/73/757222273.db2.gz JLANTRABNWXVIE-ZNMIVQPWSA-N 1 1 328.416 0.566 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC001011239736 757267996 /nfs/dbraw/zinc/26/79/96/757267996.db2.gz DFKCYQLDDTTYRT-HOTGVXAUSA-N 1 1 347.459 0.877 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@H]2C1 ZINC001048891420 757312482 /nfs/dbraw/zinc/31/24/82/757312482.db2.gz NDAWAQFSQSOPKA-RQJABVFESA-N 1 1 346.349 0.746 20 30 ECEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048893339 757317162 /nfs/dbraw/zinc/31/71/62/757317162.db2.gz APWZDABDDXARRW-ULQDDVLXSA-N 1 1 349.475 0.879 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(C#N)n2)C1 ZINC001060145395 757337961 /nfs/dbraw/zinc/33/79/61/757337961.db2.gz QMHFURGWFKFQHA-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)nn2)C1 ZINC001060144757 757358495 /nfs/dbraw/zinc/35/84/95/757358495.db2.gz IBXBEJODSIESDY-DZGCQCFKSA-N 1 1 328.420 0.775 20 30 ECEDMO C#Cc1cncc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)c1 ZINC001021376363 757364766 /nfs/dbraw/zinc/36/47/66/757364766.db2.gz IXFATNFMPGSGSK-MQVJKMGUSA-N 1 1 326.400 0.534 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3cn(CC)nn3)nn2)C1 ZINC001107187306 757389774 /nfs/dbraw/zinc/38/97/74/757389774.db2.gz XGJKFZYCPTWTTA-UHFFFAOYSA-N 1 1 344.423 0.181 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1 ZINC001076854324 757395249 /nfs/dbraw/zinc/39/52/49/757395249.db2.gz GHHBTIJPTSFGQE-IAGOWNOFSA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1 ZINC001076854324 757395259 /nfs/dbraw/zinc/39/52/59/757395259.db2.gz GHHBTIJPTSFGQE-IAGOWNOFSA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@H]2O)c1 ZINC001076857570 757402921 /nfs/dbraw/zinc/40/29/21/757402921.db2.gz TYYUOQPECPXDNM-IAGOWNOFSA-N 1 1 340.383 0.740 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@H]2O)c1 ZINC001076857570 757402930 /nfs/dbraw/zinc/40/29/30/757402930.db2.gz TYYUOQPECPXDNM-IAGOWNOFSA-N 1 1 340.383 0.740 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCCNC3=O)C[C@H]2C1 ZINC001048917489 757407825 /nfs/dbraw/zinc/40/78/25/757407825.db2.gz HXNRTCJNNSYZOG-BETUJISGSA-N 1 1 326.828 0.544 20 30 ECEDMO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1O ZINC001048946347 757486668 /nfs/dbraw/zinc/48/66/68/757486668.db2.gz VSWYJGZYODCKRE-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(C)n[nH]c2C)CC1 ZINC001011314041 757487048 /nfs/dbraw/zinc/48/70/48/757487048.db2.gz AVJFTGGHGWHXRH-HNNXBMFYSA-N 1 1 343.431 0.409 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(C)n[nH]c2C)CC1 ZINC001011314041 757487055 /nfs/dbraw/zinc/48/70/55/757487055.db2.gz AVJFTGGHGWHXRH-HNNXBMFYSA-N 1 1 343.431 0.409 20 30 ECEDMO C#CCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)CCC1 ZINC001048950324 757494679 /nfs/dbraw/zinc/49/46/79/757494679.db2.gz XLGQNDAWYNDETN-PMPSAXMXSA-N 1 1 347.459 0.162 20 30 ECEDMO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001076898440 757517008 /nfs/dbraw/zinc/51/70/08/757517008.db2.gz JEAJLAMHWGFQBG-IAGOWNOFSA-N 1 1 340.383 0.870 20 30 ECEDMO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001076898440 757517014 /nfs/dbraw/zinc/51/70/14/757517014.db2.gz JEAJLAMHWGFQBG-IAGOWNOFSA-N 1 1 340.383 0.870 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@H]2C1 ZINC001048971730 757556188 /nfs/dbraw/zinc/55/61/88/757556188.db2.gz GKEYLKXHKQBTQI-GASCZTMLSA-N 1 1 328.416 0.424 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@H]3C2)cc1 ZINC001048972906 757559636 /nfs/dbraw/zinc/55/96/36/757559636.db2.gz AVEQYNTZXVYCLG-CALCHBBNSA-N 1 1 337.423 0.950 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001048973141 757561418 /nfs/dbraw/zinc/56/14/18/757561418.db2.gz NHWBYAICIWHLRY-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3ccccc3C(N)=O)C[C@H]2C1 ZINC001048973278 757561941 /nfs/dbraw/zinc/56/19/41/757561941.db2.gz LBSXCTAWWZLMHZ-IYBDPMFKSA-N 1 1 325.412 0.742 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@H]2O)c[nH]1 ZINC001076907664 757564709 /nfs/dbraw/zinc/56/47/09/757564709.db2.gz XSAYNDDPQQVDGN-BRWVUGGUSA-N 1 1 340.383 0.395 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2O)c[nH]1 ZINC001076907664 757564718 /nfs/dbraw/zinc/56/47/18/757564718.db2.gz XSAYNDDPQQVDGN-BRWVUGGUSA-N 1 1 340.383 0.395 20 30 ECEDMO O=C([C@@H]1CCNC1=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048977425 757581229 /nfs/dbraw/zinc/58/12/29/757581229.db2.gz CLBOWPLQAHBZGM-FGTMMUONSA-N 1 1 337.423 0.564 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001021591479 757655415 /nfs/dbraw/zinc/65/54/15/757655415.db2.gz UHOQEIMTMUHTSB-HYVNUMGLSA-N 1 1 329.444 0.943 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)CC[N@H+]1C ZINC001021593148 757657668 /nfs/dbraw/zinc/65/76/68/757657668.db2.gz UHRDVDQFHSVKID-XLNGHYISSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000996457124 757731935 /nfs/dbraw/zinc/73/19/35/757731935.db2.gz LWVZAPDISGTRJX-AWEZNQCLSA-N 1 1 343.431 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000996457124 757731939 /nfs/dbraw/zinc/73/19/39/757731939.db2.gz LWVZAPDISGTRJX-AWEZNQCLSA-N 1 1 343.431 0.112 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001049034191 757748471 /nfs/dbraw/zinc/74/84/71/757748471.db2.gz CUZLPCVAOHWUPP-JTDSTZFVSA-N 1 1 349.475 0.838 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@H]2C1 ZINC001049054189 757791515 /nfs/dbraw/zinc/79/15/15/757791515.db2.gz LKYSZQZGXCASGH-XUWVNRHRSA-N 1 1 335.448 0.589 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021712309 757847932 /nfs/dbraw/zinc/84/79/32/757847932.db2.gz IKGVBPSIKKUELA-HUUCEWRRSA-N 1 1 346.431 0.265 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021714069 757851533 /nfs/dbraw/zinc/85/15/33/757851533.db2.gz UYMLKJSKRTWANF-HUUCEWRRSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2nc3nccc(C)n3n2)C1 ZINC001021724080 757863934 /nfs/dbraw/zinc/86/39/34/757863934.db2.gz IXTAYPYPFFBSOW-LSDHHAIUSA-N 1 1 338.415 0.992 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001021728756 757870378 /nfs/dbraw/zinc/87/03/78/757870378.db2.gz VRVMJQBAXQAJCN-KGLIPLIRSA-N 1 1 346.431 0.263 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC001049068692 757872963 /nfs/dbraw/zinc/87/29/63/757872963.db2.gz ZKIXJYSGXKHIKR-TWMKSMIVSA-N 1 1 330.432 0.864 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021733529 757878539 /nfs/dbraw/zinc/87/85/39/757878539.db2.gz OTMDMMKFZDCYKI-UKRRQHHQSA-N 1 1 346.431 0.989 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021741801 757892523 /nfs/dbraw/zinc/89/25/23/757892523.db2.gz HSCKISXLOBXZDB-DZGCQCFKSA-N 1 1 346.435 0.266 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077017449 757946980 /nfs/dbraw/zinc/94/69/80/757946980.db2.gz ASFWYGXIZNECGH-VQHPVUNQSA-N 1 1 338.448 0.556 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077022572 757963372 /nfs/dbraw/zinc/96/33/72/757963372.db2.gz HZPKHCNNJYTSFM-FDYHWXHSSA-N 1 1 346.269 0.397 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C[C@H]2C1 ZINC001049108475 757980298 /nfs/dbraw/zinc/98/02/98/757980298.db2.gz IPPHJOVMXLEFKS-FRRDWIJNSA-N 1 1 347.868 0.163 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001049111081 757986600 /nfs/dbraw/zinc/98/66/00/757986600.db2.gz IRKBZZQSXBCXSU-IVSAIRAKSA-N 1 1 335.448 0.446 20 30 ECEDMO C=C(C)CN1CC(n2cc(CNC(=O)C[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107229098 757990217 /nfs/dbraw/zinc/99/02/17/757990217.db2.gz CCHWRIIYAKKIAM-CQSZACIVSA-N 1 1 332.452 0.669 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc[nH]c3)[C@@H]2C1 ZINC001021869326 757998266 /nfs/dbraw/zinc/99/82/66/757998266.db2.gz XLIQGVHLIXLYBK-YESZJQIVSA-N 1 1 340.427 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc[nH]c3)[C@@H]2C1 ZINC001021869326 757998276 /nfs/dbraw/zinc/99/82/76/757998276.db2.gz XLIQGVHLIXLYBK-YESZJQIVSA-N 1 1 340.427 0.785 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCn3cc(C)cn3)nn2)C1 ZINC001107238982 758035479 /nfs/dbraw/zinc/03/54/79/758035479.db2.gz ZRBRRZFFUNQGCJ-UHFFFAOYSA-N 1 1 343.435 0.922 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001077058678 758055343 /nfs/dbraw/zinc/05/53/43/758055343.db2.gz RURGLRMCJLWUMS-HUUCEWRRSA-N 1 1 345.403 0.816 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001077064128 758072728 /nfs/dbraw/zinc/07/27/28/758072728.db2.gz SBLDNVPCJUSPOS-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001051654475 762602514 /nfs/dbraw/zinc/60/25/14/762602514.db2.gz NVBMNMONCHXIRO-OAHLLOKOSA-N 1 1 344.419 0.433 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@H](C[NH2+]Cc2nonc2C)C1 ZINC001051654523 762602623 /nfs/dbraw/zinc/60/26/23/762602623.db2.gz OWYYQWCVLVUUGZ-CQSZACIVSA-N 1 1 345.403 0.996 20 30 ECEDMO N#Cc1cnccc1NC/C=C/CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001107281854 758184491 /nfs/dbraw/zinc/18/44/91/758184491.db2.gz RTUSDBHVSCMNSM-KROLTMCQSA-N 1 1 325.416 0.945 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 ZINC001077110172 758195947 /nfs/dbraw/zinc/19/59/47/758195947.db2.gz FSFYZAZEEAXMHS-JHJVBQTASA-N 1 1 336.440 0.269 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001077117219 758232075 /nfs/dbraw/zinc/23/20/75/758232075.db2.gz ROFDMZWNIBQZTJ-VXGBXAGGSA-N 1 1 331.376 0.025 20 30 ECEDMO CCCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107318278 758257746 /nfs/dbraw/zinc/25/77/46/758257746.db2.gz LGPGRMHXZIXIOY-RHSMWYFYSA-N 1 1 336.436 0.414 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001077128829 758267853 /nfs/dbraw/zinc/26/78/53/758267853.db2.gz HFLILBKJLRQYDT-CHWSQXEVSA-N 1 1 334.420 0.335 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001022099301 758275844 /nfs/dbraw/zinc/27/58/44/758275844.db2.gz HTJURTONJOPJDM-RGDJUOJXSA-N 1 1 334.424 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccnn1CC ZINC001077124298 758282825 /nfs/dbraw/zinc/28/28/25/758282825.db2.gz RCXIPZFSALTNBW-GJZGRUSLSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccnn1CC ZINC001077124298 758282835 /nfs/dbraw/zinc/28/28/35/758282835.db2.gz RCXIPZFSALTNBW-GJZGRUSLSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1nonc1C ZINC001077124638 758287020 /nfs/dbraw/zinc/28/70/20/758287020.db2.gz AEVJKXPETIBPJC-WFASDCNBSA-N 1 1 347.419 0.029 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1nonc1C ZINC001077124638 758287028 /nfs/dbraw/zinc/28/70/28/758287028.db2.gz AEVJKXPETIBPJC-WFASDCNBSA-N 1 1 347.419 0.029 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCc1ccon1 ZINC001077124846 758287181 /nfs/dbraw/zinc/28/71/81/758287181.db2.gz GAVBJCPWOWUVJB-HOCLYGCPSA-N 1 1 346.431 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCc1ccon1 ZINC001077124846 758287187 /nfs/dbraw/zinc/28/71/87/758287187.db2.gz GAVBJCPWOWUVJB-HOCLYGCPSA-N 1 1 346.431 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCn1cccc1 ZINC001077125383 758290742 /nfs/dbraw/zinc/29/07/42/758290742.db2.gz UFSOIOQYVOCUKC-IRXDYDNUSA-N 1 1 344.459 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCn1cccc1 ZINC001077125383 758290750 /nfs/dbraw/zinc/29/07/50/758290750.db2.gz UFSOIOQYVOCUKC-IRXDYDNUSA-N 1 1 344.459 0.987 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)COCC=C)CCC[C@@H]12 ZINC001107329397 758302960 /nfs/dbraw/zinc/30/29/60/758302960.db2.gz SJHBDIUIFQXBCW-CRAIPNDOSA-N 1 1 333.432 0.299 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(=O)n(CCC)n3)C[C@H]2C1 ZINC001049209724 758315114 /nfs/dbraw/zinc/31/51/14/758315114.db2.gz DRKQWCLRLMPPRM-GASCZTMLSA-N 1 1 328.416 0.680 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C[C@H]2C1 ZINC001049210373 758318418 /nfs/dbraw/zinc/31/84/18/758318418.db2.gz WDHQTVJAFAWFIA-OAGGEKHMSA-N 1 1 329.444 0.801 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001077141006 758327699 /nfs/dbraw/zinc/32/76/99/758327699.db2.gz PWQVUYQJYKGCSK-VXGBXAGGSA-N 1 1 332.326 0.796 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001077152973 758360967 /nfs/dbraw/zinc/36/09/67/758360967.db2.gz WBSQBGCRYQUKSG-HZPDHXFCSA-N 1 1 329.400 0.461 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001077167052 758400572 /nfs/dbraw/zinc/40/05/72/758400572.db2.gz YGOLSQBHKTYWDK-MUIFIZLQSA-N 1 1 348.447 0.718 20 30 ECEDMO CC(C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107388218 758440769 /nfs/dbraw/zinc/44/07/69/758440769.db2.gz DTGRNJBFNCQQMY-CXAGYDPISA-N 1 1 336.436 0.148 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](O)C(C)C)CCC[C@@H]12 ZINC001107391243 758444238 /nfs/dbraw/zinc/44/42/38/758444238.db2.gz XVAIVQMHCVNVIK-QGPMSJSTSA-N 1 1 337.464 0.666 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001049276919 758469015 /nfs/dbraw/zinc/46/90/15/758469015.db2.gz YPLDLCWJSPGNFV-PMPSAXMXSA-N 1 1 348.447 0.824 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NCC=CCNc2ccnc(C#N)n2)no1 ZINC001107402264 758471660 /nfs/dbraw/zinc/47/16/60/758471660.db2.gz GSRWGUZKMHODEP-ONEGZZNKSA-N 1 1 341.375 0.218 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107401555 758499496 /nfs/dbraw/zinc/49/94/96/758499496.db2.gz TYQQKADTNKFKOM-GPMSIDNRSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC000991674772 762635939 /nfs/dbraw/zinc/63/59/39/762635939.db2.gz AYZJWMSZBUFKEE-OAHLLOKOSA-N 1 1 346.435 0.278 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC001049372271 758583625 /nfs/dbraw/zinc/58/36/25/758583625.db2.gz KVHUNDKNNAMSDW-HZSPNIEDSA-N 1 1 332.404 0.360 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC(=O)NC3)CCC[C@@H]12 ZINC001107458438 758592785 /nfs/dbraw/zinc/59/27/85/758592785.db2.gz BWDADPCQQWBXPE-FRQCXROJSA-N 1 1 347.459 0.523 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCS(C)(=O)=O)CCC[C@@H]12 ZINC001107453832 758610758 /nfs/dbraw/zinc/61/07/58/758610758.db2.gz BQJSKCRINWNWOM-GDBMZVCRSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCS(C)(=O)=O)CCC[C@@H]12 ZINC001107453832 758610765 /nfs/dbraw/zinc/61/07/65/758610765.db2.gz BQJSKCRINWNWOM-GDBMZVCRSA-N 1 1 326.462 0.805 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001049402751 758637655 /nfs/dbraw/zinc/63/76/55/758637655.db2.gz XEHKUTOTWZLZHY-RDBSUJKOSA-N 1 1 347.419 0.196 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)NC2CC2)c[nH]1 ZINC001049425878 758669468 /nfs/dbraw/zinc/66/94/68/758669468.db2.gz PYZGTHJZBRXCPW-HZPDHXFCSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)NC2CC2)c[nH]1 ZINC001049425878 758669471 /nfs/dbraw/zinc/66/94/71/758669471.db2.gz PYZGTHJZBRXCPW-HZPDHXFCSA-N 1 1 341.415 0.844 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001049450229 758724321 /nfs/dbraw/zinc/72/43/21/758724321.db2.gz SNOGNSHSDKAHJC-RLFYNMQTSA-N 1 1 348.447 0.824 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(CCOC)nn1 ZINC001049463569 758755168 /nfs/dbraw/zinc/75/51/68/758755168.db2.gz HPJOOSOIJVDUMZ-HOTGVXAUSA-N 1 1 331.420 0.627 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCN1CCNC1=O ZINC001049468736 758766701 /nfs/dbraw/zinc/76/67/01/758766701.db2.gz XKUPLQVWUZWSGS-JKSUJKDBSA-N 1 1 330.432 0.490 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)CC(N)=O)CCC[C@@H]12 ZINC001107500017 758769000 /nfs/dbraw/zinc/76/90/00/758769000.db2.gz SMETZQYMNLPSJS-IIDMSEBBSA-N 1 1 335.448 0.509 20 30 ECEDMO COCC#CC[N@H+]1C[C@H](NC(=O)[C@H](C)OC)CC2(CCOCC2)C1 ZINC001099566192 758791786 /nfs/dbraw/zinc/79/17/86/758791786.db2.gz NTWAJCJOVPQZRW-JKSUJKDBSA-N 1 1 338.448 0.658 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001049482311 758791803 /nfs/dbraw/zinc/79/18/03/758791803.db2.gz MHCFHSBZLVSBCR-QWHCGFSZSA-N 1 1 332.408 0.018 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527989 758864311 /nfs/dbraw/zinc/86/43/11/758864311.db2.gz YUIXPWNDABEGNT-QJPTWQEYSA-N 1 1 340.811 0.402 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527989 758864321 /nfs/dbraw/zinc/86/43/21/758864321.db2.gz YUIXPWNDABEGNT-QJPTWQEYSA-N 1 1 340.811 0.402 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001049558861 758920239 /nfs/dbraw/zinc/92/02/39/758920239.db2.gz SVURHTQMJCBDEO-CHWSQXEVSA-N 1 1 339.417 0.792 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001049569538 758936078 /nfs/dbraw/zinc/93/60/78/758936078.db2.gz ZDOSTSCJVBAZMI-NWDGAFQWSA-N 1 1 337.401 0.239 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C(N)=O)cn1C ZINC001049572743 758944551 /nfs/dbraw/zinc/94/45/51/758944551.db2.gz NKNLORXFGCRPSL-CABCVRRESA-N 1 1 328.416 0.826 20 30 ECEDMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001014431826 762672447 /nfs/dbraw/zinc/67/24/47/762672447.db2.gz VTOJXPYOKVKNPQ-OAHLLOKOSA-N 1 1 344.806 0.569 20 30 ECEDMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001014431826 762672449 /nfs/dbraw/zinc/67/24/49/762672449.db2.gz VTOJXPYOKVKNPQ-OAHLLOKOSA-N 1 1 344.806 0.569 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049581367 758958218 /nfs/dbraw/zinc/95/82/18/758958218.db2.gz ZHEKQIOMKFGMAZ-KBPBESRZSA-N 1 1 332.404 0.590 20 30 ECEDMO C[C@@H](CCNC(=O)CC[NH+]1CCOCC1)NC(=O)C#CC(C)(C)C ZINC001077394464 758983817 /nfs/dbraw/zinc/98/38/17/758983817.db2.gz QOASEKJEWNQOJS-HNNXBMFYSA-N 1 1 337.464 0.769 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049612732 758992446 /nfs/dbraw/zinc/99/24/46/758992446.db2.gz NYHREUDBVWHCOQ-CABCVRRESA-N 1 1 333.436 0.613 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)c1 ZINC001022685611 758998470 /nfs/dbraw/zinc/99/84/70/758998470.db2.gz UZPQJPVECITMBD-HONMWMINSA-N 1 1 325.376 0.198 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001022723626 759050560 /nfs/dbraw/zinc/05/05/60/759050560.db2.gz AMBXPTATOOFSCN-QLFBSQMISA-N 1 1 332.448 0.937 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001049692584 759107479 /nfs/dbraw/zinc/10/74/79/759107479.db2.gz TYUXJUWVXURQSZ-HOTGVXAUSA-N 1 1 329.375 0.728 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC#Cc1ccc(F)cc1 ZINC001049692584 759107483 /nfs/dbraw/zinc/10/74/83/759107483.db2.gz TYUXJUWVXURQSZ-HOTGVXAUSA-N 1 1 329.375 0.728 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001049739870 759152591 /nfs/dbraw/zinc/15/25/91/759152591.db2.gz RUAAGQONJLUFSW-OWCLPIDISA-N 1 1 342.447 0.714 20 30 ECEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@H](OC)C1 ZINC001212131616 759216707 /nfs/dbraw/zinc/21/67/07/759216707.db2.gz RFHJLJXAMHWSCE-IAGOWNOFSA-N 1 1 339.480 0.880 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049824467 759257972 /nfs/dbraw/zinc/25/79/72/759257972.db2.gz HHEIKUMNUJKGTM-CHWSQXEVSA-N 1 1 334.420 0.568 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049828317 759262060 /nfs/dbraw/zinc/26/20/60/759262060.db2.gz ZKVDNEQCFVCXEP-UONOGXRCSA-N 1 1 346.431 0.405 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(C2CCOCC2)nn1 ZINC001049835818 759270547 /nfs/dbraw/zinc/27/05/47/759270547.db2.gz SMNLZWAWNYUFDU-IRXDYDNUSA-N 1 1 343.431 0.942 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2c(OC)cccc2OC)[C@@H](O)C1 ZINC001083609967 759284616 /nfs/dbraw/zinc/28/46/16/759284616.db2.gz XNTODKLXYRNUDF-CABCVRRESA-N 1 1 332.400 0.431 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2c(OC)cccc2OC)[C@@H](O)C1 ZINC001083609967 759284621 /nfs/dbraw/zinc/28/46/21/759284621.db2.gz XNTODKLXYRNUDF-CABCVRRESA-N 1 1 332.400 0.431 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049849705 759299058 /nfs/dbraw/zinc/29/90/58/759299058.db2.gz PPWJHFYCOLGKQR-QWHCGFSZSA-N 1 1 328.376 0.283 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)NC)cn1 ZINC001049854017 759306578 /nfs/dbraw/zinc/30/65/78/759306578.db2.gz IORGLXOXEYGMER-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)NC)cn1 ZINC001049854017 759306587 /nfs/dbraw/zinc/30/65/87/759306587.db2.gz IORGLXOXEYGMER-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1nc2ncccn2n1 ZINC001049890131 759356672 /nfs/dbraw/zinc/35/66/72/759356672.db2.gz KPVLPVKDTRNONB-CABCVRRESA-N 1 1 338.415 0.755 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)COc1cccc(C(N)=O)c1 ZINC001049906954 759390487 /nfs/dbraw/zinc/39/04/87/759390487.db2.gz AZMILTQXLUHIFM-IRXDYDNUSA-N 1 1 341.411 0.863 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(NC(C)=O)ccc2F)C1 ZINC001047644803 759394495 /nfs/dbraw/zinc/39/44/95/759394495.db2.gz QVXZAWCPBSLRSS-IRXDYDNUSA-N 1 1 347.390 0.925 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 ZINC001049916811 759400204 /nfs/dbraw/zinc/40/02/04/759400204.db2.gz FTRIHZZASVXXBK-GJZGRUSLSA-N 1 1 346.435 0.409 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccnc(-n2cncn2)c1 ZINC001049927083 759412555 /nfs/dbraw/zinc/41/25/55/759412555.db2.gz HEYSURVCKYYKPN-HOTGVXAUSA-N 1 1 336.399 0.974 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001047653076 759414842 /nfs/dbraw/zinc/41/48/42/759414842.db2.gz FJAMWSINENIRIY-HOTGVXAUSA-N 1 1 344.415 0.972 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001054242140 767857801 /nfs/dbraw/zinc/85/78/01/767857801.db2.gz GFHUNCWSWVGBAN-IEBWSBKVSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC(=O)NC1=O ZINC001049934128 759426021 /nfs/dbraw/zinc/42/60/21/759426021.db2.gz QLXCOXBRDFPCKR-JHJVBQTASA-N 1 1 339.823 0.857 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC(=O)NC1=O ZINC001049934128 759426025 /nfs/dbraw/zinc/42/60/25/759426025.db2.gz QLXCOXBRDFPCKR-JHJVBQTASA-N 1 1 339.823 0.857 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)C(F)F)[C@@H]3C2)C1=O ZINC001049945399 759437682 /nfs/dbraw/zinc/43/76/82/759437682.db2.gz FUQHQACWMUMRLY-RWMBFGLXSA-N 1 1 327.375 0.961 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccnc(C)n3)C2)C1=O ZINC001032193117 759472444 /nfs/dbraw/zinc/47/24/44/759472444.db2.gz JQLYJHOZLWVBHV-HNNXBMFYSA-N 1 1 329.404 0.234 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001050045888 759610028 /nfs/dbraw/zinc/61/00/28/759610028.db2.gz NXYLTYBJDVVJSU-UKPHBRMFSA-N 1 1 329.444 0.990 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3nnn(C(C)(C)C)n3)[C@@H]2C1 ZINC001050055785 759626189 /nfs/dbraw/zinc/62/61/89/759626189.db2.gz NWPLWIKZBDLAJU-LSDHHAIUSA-N 1 1 344.463 0.917 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@H]4CCOC4)[C@@H]3C2)C1=O ZINC001050057939 759628908 /nfs/dbraw/zinc/62/89/08/759628908.db2.gz VFYQCBOANMGRCL-MWDXBVQZSA-N 1 1 347.459 0.733 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001050061808 759637634 /nfs/dbraw/zinc/63/76/34/759637634.db2.gz SEFGPQUDRXFJET-GVDBMIGSSA-N 1 1 349.475 0.980 20 30 ECEDMO Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c(C#N)cn1 ZINC001125110498 759700084 /nfs/dbraw/zinc/70/00/84/759700084.db2.gz HEPMUPULRQADOC-GOEBONIOSA-N 1 1 345.447 0.469 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC001050100390 759702723 /nfs/dbraw/zinc/70/27/23/759702723.db2.gz CQPHGXJQBSPMIA-AEGPPILISA-N 1 1 329.404 0.474 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccc(C#N)nc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125111229 759713329 /nfs/dbraw/zinc/71/33/29/759713329.db2.gz SMQHUTPWLBACRM-BBRMVZONSA-N 1 1 331.420 0.160 20 30 ECEDMO Cc1nsc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)c1C#N ZINC001050106238 759716512 /nfs/dbraw/zinc/71/65/12/759716512.db2.gz NFBBOGBBWGDPQO-KWCYVHTRSA-N 1 1 349.460 0.737 20 30 ECEDMO Cc1nsc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)c1C#N ZINC001050106238 759716515 /nfs/dbraw/zinc/71/65/15/759716515.db2.gz NFBBOGBBWGDPQO-KWCYVHTRSA-N 1 1 349.460 0.737 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3c4n(c(=O)n3C)CCCC4)[C@@H]2C1 ZINC001050138784 759784338 /nfs/dbraw/zinc/78/43/38/759784338.db2.gz RXQSVYYXCPFOEK-GOEBONIOSA-N 1 1 342.443 0.693 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC=C(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001017357594 767892092 /nfs/dbraw/zinc/89/20/92/767892092.db2.gz ZVUNNHFZGNQQSU-MRXNPFEDSA-N 1 1 347.459 0.948 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC=C(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001017357594 767892098 /nfs/dbraw/zinc/89/20/98/767892098.db2.gz ZVUNNHFZGNQQSU-MRXNPFEDSA-N 1 1 347.459 0.948 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001050165813 759841588 /nfs/dbraw/zinc/84/15/88/759841588.db2.gz LNKBEUQYOIQDIC-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)[C@@H]2C1 ZINC001050183118 759889045 /nfs/dbraw/zinc/88/90/45/759889045.db2.gz PJOPICBAMPQFMU-JKIFEVAISA-N 1 1 327.432 0.856 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)cn1 ZINC001050186095 759897590 /nfs/dbraw/zinc/89/75/90/759897590.db2.gz KSWRXHKXGITMAG-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)cn1 ZINC001050186095 759897601 /nfs/dbraw/zinc/89/76/01/759897601.db2.gz KSWRXHKXGITMAG-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)[C@@H]2C1 ZINC001050193797 759911519 /nfs/dbraw/zinc/91/15/19/759911519.db2.gz PAUSBDOLGONBNN-BLLLJJGKSA-N 1 1 337.383 0.900 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050204696 759938955 /nfs/dbraw/zinc/93/89/55/759938955.db2.gz JSLBHYPZNNIAAV-MELADBBJSA-N 1 1 327.450 0.177 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3nc(C4CC4)nn3C)[C@@H]2C1 ZINC001050206535 759941265 /nfs/dbraw/zinc/94/12/65/759941265.db2.gz KXTAXCLVVAFAAS-LSDHHAIUSA-N 1 1 327.432 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CC34CCOCC4)C2)C1=O ZINC001032231426 759990357 /nfs/dbraw/zinc/99/03/57/759990357.db2.gz IKTMFASSFPIJNM-JKSUJKDBSA-N 1 1 347.459 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncc(CC)c2)C1 ZINC000995671070 760008840 /nfs/dbraw/zinc/00/88/40/760008840.db2.gz RBDLUBUFCUIFLT-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncc(CC)c2)C1 ZINC000995671070 760008849 /nfs/dbraw/zinc/00/88/49/760008849.db2.gz RBDLUBUFCUIFLT-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C=CCOCCCC(=O)NCC[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001125252739 760020128 /nfs/dbraw/zinc/02/01/28/760020128.db2.gz LGHLBKBFUPHOJO-UHFFFAOYSA-N 1 1 344.433 0.872 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)[C@@H]2C)C1 ZINC001050346312 760156969 /nfs/dbraw/zinc/15/69/69/760156969.db2.gz DDSCWKBJJMJBGO-VHDGCEQUSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)[C@@H]2C)C1 ZINC001050346312 760156975 /nfs/dbraw/zinc/15/69/75/760156975.db2.gz DDSCWKBJJMJBGO-VHDGCEQUSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)[C@@H]2C)C1 ZINC001050346309 760157636 /nfs/dbraw/zinc/15/76/36/760157636.db2.gz DBYDMMZPBYCZAU-VHDGCEQUSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)[C@@H]2C)C1 ZINC001050346309 760157642 /nfs/dbraw/zinc/15/76/42/760157642.db2.gz DBYDMMZPBYCZAU-VHDGCEQUSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCCC)C1 ZINC001048255446 760169620 /nfs/dbraw/zinc/16/96/20/760169620.db2.gz QQKXMXWHBSSWCT-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCCC)C1 ZINC001048255446 760169625 /nfs/dbraw/zinc/16/96/25/760169625.db2.gz QQKXMXWHBSSWCT-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001017396116 767926944 /nfs/dbraw/zinc/92/69/44/767926944.db2.gz NCNPAURTFGDSDN-MRXNPFEDSA-N 1 1 341.415 0.869 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001048277921 760206376 /nfs/dbraw/zinc/20/63/76/760206376.db2.gz RGSFMCJZCOUTEY-KBPBESRZSA-N 1 1 343.435 0.696 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001017398145 767930524 /nfs/dbraw/zinc/93/05/24/767930524.db2.gz NLGYMULQOARXLW-AWEZNQCLSA-N 1 1 341.415 0.727 20 30 ECEDMO C=CCCC(=O)N1C[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101167892 760253221 /nfs/dbraw/zinc/25/32/21/760253221.db2.gz ZTSQBIJUUKSWJV-AEFFLSMTSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@H](C)OC)nn2)C1 ZINC001098673404 760350744 /nfs/dbraw/zinc/35/07/44/760350744.db2.gz PWZRQTMERRBWMQ-GOEBONIOSA-N 1 1 349.435 0.216 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)CC(C)C)C[C@@H](C)O2 ZINC001111533872 767947328 /nfs/dbraw/zinc/94/73/28/767947328.db2.gz OYAPXHWXOVIJJM-MRXNPFEDSA-N 1 1 349.475 0.864 20 30 ECEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC2(C1)CCN(CC#N)CC2 ZINC001050542945 760462434 /nfs/dbraw/zinc/46/24/34/760462434.db2.gz QVVJAAYZZJUMDY-HNNXBMFYSA-N 1 1 330.436 0.261 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)no2)C1=O ZINC001032277202 760470749 /nfs/dbraw/zinc/47/07/49/760470749.db2.gz VUOLAMALMUETCZ-MELADBBJSA-N 1 1 330.388 0.669 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)no2)C1=O ZINC001032277202 760470756 /nfs/dbraw/zinc/47/07/56/760470756.db2.gz VUOLAMALMUETCZ-MELADBBJSA-N 1 1 330.388 0.669 20 30 ECEDMO CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC000995800523 760625324 /nfs/dbraw/zinc/62/53/24/760625324.db2.gz ZTHPRFWLOXEWSN-AWEZNQCLSA-N 1 1 343.431 0.548 20 30 ECEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001048590647 760767375 /nfs/dbraw/zinc/76/73/75/760767375.db2.gz UEAWXIZHOHSTMX-BTTYYORXSA-N 1 1 346.435 0.312 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2nc(C)no2)C(C)(C)C1 ZINC000995924314 760784837 /nfs/dbraw/zinc/78/48/37/760784837.db2.gz OKCVIKAWARRXJM-GJZGRUSLSA-N 1 1 345.447 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2nc(C)no2)C(C)(C)C1 ZINC000995924314 760784839 /nfs/dbraw/zinc/78/48/39/760784839.db2.gz OKCVIKAWARRXJM-GJZGRUSLSA-N 1 1 345.447 0.802 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000995926508 760789382 /nfs/dbraw/zinc/78/93/82/760789382.db2.gz WAGOOJOIWIVONJ-HOTGVXAUSA-N 1 1 344.463 0.239 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C4=COCCO4)C[C@H]3C2)C1=O ZINC001048661267 760879289 /nfs/dbraw/zinc/87/92/89/760879289.db2.gz KLXZBERLEQGLDN-QLFBSQMISA-N 1 1 347.415 0.052 20 30 ECEDMO O=C(Cn1cnnn1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048672037 760908266 /nfs/dbraw/zinc/90/82/66/760908266.db2.gz QZUSZTXZFTZONB-CALCHBBNSA-N 1 1 336.399 0.115 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1cnc(C#N)cn1 ZINC001048710900 760996185 /nfs/dbraw/zinc/99/61/85/760996185.db2.gz LHWVDKKMMBAPJO-AEGPPILISA-N 1 1 328.420 0.773 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCOC4)C[C@H]3C2)C1=O ZINC001048719212 761021820 /nfs/dbraw/zinc/02/18/20/761021820.db2.gz CRCLOOIKFWTPSO-WCXIOVBPSA-N 1 1 347.459 0.590 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N3CCCCC3)C[C@@H]2C1 ZINC001048724769 761047197 /nfs/dbraw/zinc/04/71/97/761047197.db2.gz GHIWHFDZZNDQRL-YHUYYLMFSA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3nnnn3C3CC3)C[C@@H]2C1 ZINC001048727785 761055415 /nfs/dbraw/zinc/05/54/15/761055415.db2.gz MTGRGFMTMVFQDL-LPWJVIDDSA-N 1 1 329.408 0.619 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3nnnn3C3CC3)C[C@@H]2C1 ZINC001048727785 761055425 /nfs/dbraw/zinc/05/54/25/761055425.db2.gz MTGRGFMTMVFQDL-LPWJVIDDSA-N 1 1 329.408 0.619 20 30 ECEDMO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048727786 761055788 /nfs/dbraw/zinc/05/57/88/761055788.db2.gz MTGRGFMTMVFQDL-QNWHQSFQSA-N 1 1 329.408 0.619 20 30 ECEDMO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048727786 761055791 /nfs/dbraw/zinc/05/57/91/761055791.db2.gz MTGRGFMTMVFQDL-QNWHQSFQSA-N 1 1 329.408 0.619 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 ZINC000991471864 761097205 /nfs/dbraw/zinc/09/72/05/761097205.db2.gz LICWPLBAXJAHRK-WFASDCNBSA-N 1 1 339.827 0.448 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 ZINC000991471864 761097215 /nfs/dbraw/zinc/09/72/15/761097215.db2.gz LICWPLBAXJAHRK-WFASDCNBSA-N 1 1 339.827 0.448 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048749757 761107507 /nfs/dbraw/zinc/10/75/07/761107507.db2.gz OALQLZZQTLPIFT-FPMFFAJLSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048757497 761122522 /nfs/dbraw/zinc/12/25/22/761122522.db2.gz GTESPZDCDLCVOW-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@H]12 ZINC000991475825 761122963 /nfs/dbraw/zinc/12/29/63/761122963.db2.gz UBVJFCRYQBWPIW-MAUKXSAKSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H](C)C(=O)NC2CC2)C1 ZINC001030031444 761201893 /nfs/dbraw/zinc/20/18/93/761201893.db2.gz FRSWOWAXSRITAF-PVAVHDDUSA-N 1 1 346.475 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H](C)C(=O)NC2CC2)C1 ZINC001030031444 761201898 /nfs/dbraw/zinc/20/18/98/761201898.db2.gz FRSWOWAXSRITAF-PVAVHDDUSA-N 1 1 346.475 0.332 20 30 ECEDMO C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001050953489 761211294 /nfs/dbraw/zinc/21/12/94/761211294.db2.gz DYYUSROTTMPRLX-IAGOWNOFSA-N 1 1 335.448 0.080 20 30 ECEDMO C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001050954345 761213411 /nfs/dbraw/zinc/21/34/11/761213411.db2.gz VNJOPGPJQIHZHL-IAGOWNOFSA-N 1 1 337.464 0.633 20 30 ECEDMO C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001050954125 761213703 /nfs/dbraw/zinc/21/37/03/761213703.db2.gz QYAHIFZLCOOBGT-ZWKOTPCHSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)C1 ZINC001105714130 761247433 /nfs/dbraw/zinc/24/74/33/761247433.db2.gz KRFRLTGQXAMQNC-UHFFFAOYSA-N 1 1 342.461 0.136 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc2n[nH]nc21 ZINC001051018941 761346798 /nfs/dbraw/zinc/34/67/98/761346798.db2.gz ZCBBVUAULQRZFE-GFCCVEGCSA-N 1 1 330.392 0.750 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc2n[nH]nc21 ZINC001051018941 761346806 /nfs/dbraw/zinc/34/68/06/761346806.db2.gz ZCBBVUAULQRZFE-GFCCVEGCSA-N 1 1 330.392 0.750 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)c1 ZINC000991522509 761355689 /nfs/dbraw/zinc/35/56/89/761355689.db2.gz FWRUETWIFUOTOW-UKRRQHHQSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)c1 ZINC000991522513 761355854 /nfs/dbraw/zinc/35/58/54/761355854.db2.gz FWRUETWIFUOTOW-ZFWWWQNUSA-N 1 1 341.415 0.701 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC2)C1 ZINC001105731751 761388665 /nfs/dbraw/zinc/38/86/65/761388665.db2.gz SSIDQABHCDQYKO-GOSISDBHSA-N 1 1 349.475 0.862 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2CC#Cc2ccccc2)C1 ZINC001051242871 761747752 /nfs/dbraw/zinc/74/77/52/761747752.db2.gz ZBLURNWNMNZIIT-RBUKOAKNSA-N 1 1 341.455 0.807 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2cccc3c2CCN(CC#N)C3)C1 ZINC001051284419 761823901 /nfs/dbraw/zinc/82/39/01/761823901.db2.gz SHOBPYRIRHYSSZ-QGZVFWFLSA-N 1 1 328.416 0.515 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCc2cccc3c2CCN(CC#N)C3)C1 ZINC001051284419 761823904 /nfs/dbraw/zinc/82/39/04/761823904.db2.gz SHOBPYRIRHYSSZ-QGZVFWFLSA-N 1 1 328.416 0.515 20 30 ECEDMO C=CCC[N@H+]1CCc2c(CNC(=O)[C@H]3CNC(=O)N3)cccc2C1 ZINC001051300206 761851132 /nfs/dbraw/zinc/85/11/32/761851132.db2.gz UCLAQQAIYJKIOU-MRXNPFEDSA-N 1 1 328.416 0.918 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@H](OC)C1 ZINC001212165870 761877137 /nfs/dbraw/zinc/87/71/37/761877137.db2.gz LOQVVBNSMJZBOV-ZIAGYGMSSA-N 1 1 328.409 0.158 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001051699461 762726466 /nfs/dbraw/zinc/72/64/66/762726466.db2.gz GPMKINFKHDMIRH-CVEARBPZSA-N 1 1 340.387 0.214 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCS(=O)(=O)C3)CCC[C@H]12 ZINC000991685827 762726853 /nfs/dbraw/zinc/72/68/53/762726853.db2.gz XONNWPHKIQTERZ-YQQAZPJKSA-N 1 1 338.473 0.948 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCS(=O)(=O)C3)CCC[C@H]12 ZINC000991685827 762726855 /nfs/dbraw/zinc/72/68/55/762726855.db2.gz XONNWPHKIQTERZ-YQQAZPJKSA-N 1 1 338.473 0.948 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](n3cc(CNCC#N)nn3)C2)CC[N@H+]1C ZINC001098676891 762843796 /nfs/dbraw/zinc/84/37/96/762843796.db2.gz ZKNWSMMOSKWACE-HRCADAONSA-N 1 1 345.451 0.395 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc4n(n3)CCC4)C2)C1=O ZINC001014645306 762957158 /nfs/dbraw/zinc/95/71/58/762957158.db2.gz NLKMLLDTQRZGLE-CJNGLKHVSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc4n(n3)CCC4)C2)C1=O ZINC001014645306 762957161 /nfs/dbraw/zinc/95/71/61/762957161.db2.gz NLKMLLDTQRZGLE-CJNGLKHVSA-N 1 1 343.431 0.420 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001014711035 763025189 /nfs/dbraw/zinc/02/51/89/763025189.db2.gz LAQQNXIQVRTNKZ-BBRMVZONSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001014711035 763025195 /nfs/dbraw/zinc/02/51/95/763025195.db2.gz LAQQNXIQVRTNKZ-BBRMVZONSA-N 1 1 326.400 0.775 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nonc2C)C1 ZINC001051834040 763075704 /nfs/dbraw/zinc/07/57/04/763075704.db2.gz DSEKLNVTGGKOFU-GUTXKFCHSA-N 1 1 336.392 0.286 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cn(C)nc3C)C2)C1=O ZINC001014750686 763088154 /nfs/dbraw/zinc/08/81/54/763088154.db2.gz BBIIBFPWGSEHAC-CVEARBPZSA-N 1 1 345.447 0.248 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cn(C)nc3C)C2)C1=O ZINC001014750686 763088160 /nfs/dbraw/zinc/08/81/60/763088160.db2.gz BBIIBFPWGSEHAC-CVEARBPZSA-N 1 1 345.447 0.248 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001089840192 763093916 /nfs/dbraw/zinc/09/39/16/763093916.db2.gz ZNXZVGHRJMTRHC-YXWQFLTLSA-N 1 1 341.411 0.799 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046779692 763115072 /nfs/dbraw/zinc/11/50/72/763115072.db2.gz XNWDNZURBIWXFN-MAUKXSAKSA-N 1 1 326.400 0.917 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046779692 763115076 /nfs/dbraw/zinc/11/50/76/763115076.db2.gz XNWDNZURBIWXFN-MAUKXSAKSA-N 1 1 326.400 0.917 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC001046781730 763117046 /nfs/dbraw/zinc/11/70/46/763117046.db2.gz NRUTWSMSYYPGRL-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)nc1 ZINC001046781633 763117871 /nfs/dbraw/zinc/11/78/71/763117871.db2.gz KZCPOSIXUWLEPP-KDOFPFPSSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)nc1 ZINC001046781633 763117874 /nfs/dbraw/zinc/11/78/74/763117874.db2.gz KZCPOSIXUWLEPP-KDOFPFPSSA-N 1 1 340.383 0.062 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2noc(C(C)C)n2)C1 ZINC001014768478 763122976 /nfs/dbraw/zinc/12/29/76/763122976.db2.gz CRDXCNOGOCVWRS-CABCVRRESA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2noc(C(C)C)n2)C1 ZINC001014768478 763122978 /nfs/dbraw/zinc/12/29/78/763122978.db2.gz CRDXCNOGOCVWRS-CABCVRRESA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cscn3)C2)nn1 ZINC001051860560 763135756 /nfs/dbraw/zinc/13/57/56/763135756.db2.gz MFRAPLKJYRSDEB-ZDUSSCGKSA-N 1 1 348.432 0.551 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001105973028 763137394 /nfs/dbraw/zinc/13/73/94/763137394.db2.gz SNGRXTWSFKSQCP-JKSUJKDBSA-N 1 1 331.420 0.715 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001051867538 763153114 /nfs/dbraw/zinc/15/31/14/763153114.db2.gz KWLIQXKNTPAXIB-JYJNAYRXSA-N 1 1 349.435 0.113 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001051868277 763155239 /nfs/dbraw/zinc/15/52/39/763155239.db2.gz UBQHFEBSKDMMLH-YCPHGPKFSA-N 1 1 349.435 0.411 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccc(C#N)nc3)C2)C1 ZINC001051878253 763187361 /nfs/dbraw/zinc/18/73/61/763187361.db2.gz IYNCFWMZDSULQC-MOQPWLNLSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccc(C#N)nc3)C2)C1 ZINC001051878253 763187367 /nfs/dbraw/zinc/18/73/67/763187367.db2.gz IYNCFWMZDSULQC-MOQPWLNLSA-N 1 1 329.404 0.591 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001046829912 763188072 /nfs/dbraw/zinc/18/80/72/763188072.db2.gz NWMVEUQYFNURGM-YDHLFZDLSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001046829912 763188076 /nfs/dbraw/zinc/18/80/76/763188076.db2.gz NWMVEUQYFNURGM-YDHLFZDLSA-N 1 1 344.419 0.376 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)cc1 ZINC001014812608 763216589 /nfs/dbraw/zinc/21/65/89/763216589.db2.gz UFYHEEBKJMVJRD-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccc(C)cc2)C1 ZINC000995050263 763224122 /nfs/dbraw/zinc/22/41/22/763224122.db2.gz ZORCZIMCLKFJHT-SFHVURJKSA-N 1 1 339.439 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccc(C)cc2)C1 ZINC000995050263 763224132 /nfs/dbraw/zinc/22/41/32/763224132.db2.gz ZORCZIMCLKFJHT-SFHVURJKSA-N 1 1 339.439 0.962 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001046849095 763227346 /nfs/dbraw/zinc/22/73/46/763227346.db2.gz BFZMJVNALMGMKH-BEFAXECRSA-N 1 1 348.491 0.389 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001014819399 763232057 /nfs/dbraw/zinc/23/20/57/763232057.db2.gz ZDOWGLZJULLZOA-KBPBESRZSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001014819399 763232065 /nfs/dbraw/zinc/23/20/65/763232065.db2.gz ZDOWGLZJULLZOA-KBPBESRZSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cncs3)C2)C1=O ZINC001014838202 763281100 /nfs/dbraw/zinc/28/11/00/763281100.db2.gz JYNMSOXFJXZSCY-OCCSQVGLSA-N 1 1 334.445 0.663 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cncs3)C2)C1=O ZINC001014838202 763281113 /nfs/dbraw/zinc/28/11/13/763281113.db2.gz JYNMSOXFJXZSCY-OCCSQVGLSA-N 1 1 334.445 0.663 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nocc3C)C2)nc1 ZINC001051908833 763303317 /nfs/dbraw/zinc/30/33/17/763303317.db2.gz MMEKUOSUJXNCEJ-HNNXBMFYSA-N 1 1 340.383 0.990 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3coc(C)n3)C2)nc1 ZINC001051909575 763305708 /nfs/dbraw/zinc/30/57/08/763305708.db2.gz XAVBSKGEPMLHNB-INIZCTEOSA-N 1 1 340.383 0.990 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001046927465 763400984 /nfs/dbraw/zinc/40/09/84/763400984.db2.gz AODGKPHREUORBQ-STQMWFEESA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001046927465 763400991 /nfs/dbraw/zinc/40/09/91/763400991.db2.gz AODGKPHREUORBQ-STQMWFEESA-N 1 1 327.375 0.609 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCO[C@H](C[NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001051944304 763412130 /nfs/dbraw/zinc/41/21/30/763412130.db2.gz UVFABYSCJIXZRW-SJLPKXTDSA-N 1 1 349.475 0.185 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001046935962 763418944 /nfs/dbraw/zinc/41/89/44/763418944.db2.gz RHGBZDPGEAPPIO-NSHDSACASA-N 1 1 325.363 0.713 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001046936413 763420277 /nfs/dbraw/zinc/42/02/77/763420277.db2.gz VATJSXIZVCNYIL-LBPRGKRZSA-N 1 1 343.378 0.798 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001046943389 763432394 /nfs/dbraw/zinc/43/23/94/763432394.db2.gz DTPBZFDUDXGSJG-LBPRGKRZSA-N 1 1 348.357 0.835 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001046943389 763432400 /nfs/dbraw/zinc/43/24/00/763432400.db2.gz DTPBZFDUDXGSJG-LBPRGKRZSA-N 1 1 348.357 0.835 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046947195 763438957 /nfs/dbraw/zinc/43/89/57/763438957.db2.gz JIWKNRGBOBMATA-GFCCVEGCSA-N 1 1 338.358 0.491 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046947195 763438960 /nfs/dbraw/zinc/43/89/60/763438960.db2.gz JIWKNRGBOBMATA-GFCCVEGCSA-N 1 1 338.358 0.491 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001046950113 763444062 /nfs/dbraw/zinc/44/40/62/763444062.db2.gz FBUAMMPSMFROEV-STQMWFEESA-N 1 1 327.375 0.609 20 30 ECEDMO COCC(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccccc3C#N)CC2)C1 ZINC001051956761 763446341 /nfs/dbraw/zinc/44/63/41/763446341.db2.gz SZFIERPJHOCPBX-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001046952995 763452215 /nfs/dbraw/zinc/45/22/15/763452215.db2.gz CNLYALVKGMLJIK-HUUCEWRRSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001046955116 763456141 /nfs/dbraw/zinc/45/61/41/763456141.db2.gz XPVFOPYJAHXZBO-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001030464194 763456259 /nfs/dbraw/zinc/45/62/59/763456259.db2.gz KGLDXFIBBWNXFL-JKSUJKDBSA-N 1 1 346.475 0.284 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001030464194 763456266 /nfs/dbraw/zinc/45/62/66/763456266.db2.gz KGLDXFIBBWNXFL-JKSUJKDBSA-N 1 1 346.475 0.284 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(CC#Cc3ccccc3)C2)O1 ZINC001014923956 763463467 /nfs/dbraw/zinc/46/34/67/763463467.db2.gz KVKLEHUXIFUJRA-NZSAHSFTSA-N 1 1 341.455 0.948 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(CC#Cc3ccccc3)C2)O1 ZINC001014923956 763463470 /nfs/dbraw/zinc/46/34/70/763463470.db2.gz KVKLEHUXIFUJRA-NZSAHSFTSA-N 1 1 341.455 0.948 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001046961368 763468401 /nfs/dbraw/zinc/46/84/01/763468401.db2.gz WHOBAGBYGOFWHC-KGLIPLIRSA-N 1 1 341.402 0.999 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001046964873 763476804 /nfs/dbraw/zinc/47/68/04/763476804.db2.gz YVDAIMZBQJSZBF-QWHCGFSZSA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001046965145 763478223 /nfs/dbraw/zinc/47/82/23/763478223.db2.gz IJUYCNYMQOXCPN-NSHDSACASA-N 1 1 326.347 0.836 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001046965145 763478225 /nfs/dbraw/zinc/47/82/25/763478225.db2.gz IJUYCNYMQOXCPN-NSHDSACASA-N 1 1 326.347 0.836 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCC2(F)F)nn1 ZINC001046977857 763497937 /nfs/dbraw/zinc/49/79/37/763497937.db2.gz NMVFUSIKXOMTBR-GFCCVEGCSA-N 1 1 343.378 0.534 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnn(C)c2OC)C1 ZINC001046990509 763523440 /nfs/dbraw/zinc/52/34/40/763523440.db2.gz SEMUXEXLLSXFBW-LLVKDONJSA-N 1 1 326.347 0.749 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnn(C)c2OC)C1 ZINC001046990509 763523445 /nfs/dbraw/zinc/52/34/45/763523445.db2.gz SEMUXEXLLSXFBW-LLVKDONJSA-N 1 1 326.347 0.749 20 30 ECEDMO CN1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)C1=O ZINC001031911359 763529774 /nfs/dbraw/zinc/52/97/74/763529774.db2.gz YETSJEPHUVCPAP-CQSZACIVSA-N 1 1 332.429 0.646 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001046996904 763539669 /nfs/dbraw/zinc/53/96/69/763539669.db2.gz ZYUXJWFUAUJLEJ-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001046996904 763539675 /nfs/dbraw/zinc/53/96/75/763539675.db2.gz ZYUXJWFUAUJLEJ-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)nn3C)C2)CC1 ZINC001051994467 763540779 /nfs/dbraw/zinc/54/07/79/763540779.db2.gz YASVHSMGZXLYTC-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@](C)(O)C3CC3)C2)CC1 ZINC001052010720 763579097 /nfs/dbraw/zinc/57/90/97/763579097.db2.gz FBMFUZSCMGDKRS-IEBWSBKVSA-N 1 1 333.476 0.779 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@@H]2C)c1 ZINC001088846626 763612844 /nfs/dbraw/zinc/61/28/44/763612844.db2.gz YDVVYQVCDSLCHY-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@@H]2C)c1 ZINC001088846626 763612846 /nfs/dbraw/zinc/61/28/46/763612846.db2.gz YDVVYQVCDSLCHY-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H](N2CC[NH+](CCn3cccn3)CC2)C1 ZINC001052024535 763613058 /nfs/dbraw/zinc/61/30/58/763613058.db2.gz GHKGKOGWCIFFDB-GOSISDBHSA-N 1 1 341.459 0.515 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)CC1 ZINC001052028196 763623635 /nfs/dbraw/zinc/62/36/35/763623635.db2.gz OPXNUODODVUVHA-LSDHHAIUSA-N 1 1 342.447 0.572 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052028931 763625090 /nfs/dbraw/zinc/62/50/90/763625090.db2.gz VAMMDMPJKUNOPQ-OALUTQOASA-N 1 1 344.503 0.570 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)C1 ZINC001052036376 763649611 /nfs/dbraw/zinc/64/96/11/763649611.db2.gz NANQHOAQOZUNFI-MSOLQXFVSA-N 1 1 347.507 0.706 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001106951587 763650377 /nfs/dbraw/zinc/65/03/77/763650377.db2.gz NHYNBDRKEILBJU-UHFFFAOYSA-N 1 1 330.436 0.762 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036680 763650937 /nfs/dbraw/zinc/65/09/37/763650937.db2.gz SIKDOJCXANQRHY-QZTJIDSGSA-N 1 1 332.492 0.568 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)C2)CC1 ZINC001052044985 763681288 /nfs/dbraw/zinc/68/12/88/763681288.db2.gz PGHLORXVKMKENT-FUHWJXTLSA-N 1 1 341.459 0.297 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC)C3)cc1 ZINC001047124699 763695695 /nfs/dbraw/zinc/69/56/95/763695695.db2.gz OQKBSSWETWYKEC-UAGQMJEPSA-N 1 1 325.412 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cc[nH]c2)CC1 ZINC000941314975 763698424 /nfs/dbraw/zinc/69/84/24/763698424.db2.gz FONGWRZCGIOSSK-INIZCTEOSA-N 1 1 328.416 0.787 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cc[nH]c2)CC1 ZINC000941314975 763698429 /nfs/dbraw/zinc/69/84/29/763698429.db2.gz FONGWRZCGIOSSK-INIZCTEOSA-N 1 1 328.416 0.787 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052054049 763720004 /nfs/dbraw/zinc/72/00/04/763720004.db2.gz XAMVINOWTLHRIQ-RFSXOUPVSA-N 1 1 331.460 0.814 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052054049 763720007 /nfs/dbraw/zinc/72/00/07/763720007.db2.gz XAMVINOWTLHRIQ-RFSXOUPVSA-N 1 1 331.460 0.814 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc(CC)nn3C)C2)CC1 ZINC001052055321 763723365 /nfs/dbraw/zinc/72/33/65/763723365.db2.gz KTUODJVBLNGVJP-KRWDZBQOSA-N 1 1 343.475 0.377 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)CC1 ZINC001052055169 763723805 /nfs/dbraw/zinc/72/38/05/763723805.db2.gz JIWATEFRJFIXBK-BRWVUGGUSA-N 1 1 343.475 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)CC1 ZINC001052055169 763723807 /nfs/dbraw/zinc/72/38/07/763723807.db2.gz JIWATEFRJFIXBK-BRWVUGGUSA-N 1 1 343.475 0.928 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052056233 763727588 /nfs/dbraw/zinc/72/75/88/763727588.db2.gz UZXKDWRXYAWEOW-WXJALIKYSA-N 1 1 343.471 0.652 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001052058282 763733852 /nfs/dbraw/zinc/73/38/52/763733852.db2.gz WIJDTPAOTUFKIW-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001052058282 763733855 /nfs/dbraw/zinc/73/38/55/763733855.db2.gz WIJDTPAOTUFKIW-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)c1 ZINC001015041862 763734158 /nfs/dbraw/zinc/73/41/58/763734158.db2.gz HMWLUQOCDNUVNQ-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO Cc1noc(CCC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052060126 763740399 /nfs/dbraw/zinc/74/03/99/763740399.db2.gz XNKIWKSODCPIEB-CQSZACIVSA-N 1 1 332.408 0.053 20 30 ECEDMO Cn1cc(C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)[nH]c1=O ZINC001031950150 763744096 /nfs/dbraw/zinc/74/40/96/763744096.db2.gz UFEJOGWCVLUKSE-UHFFFAOYSA-N 1 1 325.372 0.859 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N(C)C)C3)nc1 ZINC001047184340 763780418 /nfs/dbraw/zinc/78/04/18/763780418.db2.gz YNIQPNKGPVPZRD-XHSDSOJGSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001047185204 763780916 /nfs/dbraw/zinc/78/09/16/763780916.db2.gz QTHGSRIETRZPBL-MJBXVCDLSA-N 1 1 342.399 0.162 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001015064203 763792268 /nfs/dbraw/zinc/79/22/68/763792268.db2.gz HUTNOWYMQRIGAJ-IUODEOHRSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001015064203 763792272 /nfs/dbraw/zinc/79/22/72/763792272.db2.gz HUTNOWYMQRIGAJ-IUODEOHRSA-N 1 1 331.420 0.563 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(=O)cc3C)C2)CC1 ZINC001052082996 763804512 /nfs/dbraw/zinc/80/45/12/763804512.db2.gz YUPDBQJXTIVXEZ-HNNXBMFYSA-N 1 1 328.416 0.561 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)CC1 ZINC001052090995 763830038 /nfs/dbraw/zinc/83/00/38/763830038.db2.gz BDHIHLXMVXTWKR-INIZCTEOSA-N 1 1 342.443 0.951 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(C)c3CC)C2)C1=O ZINC001015080863 763834971 /nfs/dbraw/zinc/83/49/71/763834971.db2.gz KBXZKUKBTYTWSL-CZUORRHYSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(C)c3CC)C2)C1=O ZINC001015080863 763834982 /nfs/dbraw/zinc/83/49/82/763834982.db2.gz KBXZKUKBTYTWSL-CZUORRHYSA-N 1 1 345.447 0.574 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)Cc3cnn(C)c3)C2)CC1 ZINC001052103735 763870849 /nfs/dbraw/zinc/87/08/49/763870849.db2.gz UEJKPTQOZFKXIU-AEFFLSMTSA-N 1 1 343.475 0.450 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052105648 763877420 /nfs/dbraw/zinc/87/74/20/763877420.db2.gz NCKJQFLYRQQVSX-SFHVURJKSA-N 1 1 341.459 0.651 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cncn3C)C2)CC1 ZINC001052107636 763887242 /nfs/dbraw/zinc/88/72/42/763887242.db2.gz GQDJJIQHJLAVOF-INIZCTEOSA-N 1 1 329.448 0.204 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(C)c3OC)C2)CC1 ZINC001052112598 763908377 /nfs/dbraw/zinc/90/83/77/763908377.db2.gz AIGXEWDEJUIOCA-HNNXBMFYSA-N 1 1 345.447 0.284 20 30 ECEDMO CN(C(=O)c1cnn(C)c1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047299492 763919210 /nfs/dbraw/zinc/91/92/10/763919210.db2.gz YOCPRWSGVNYPSI-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO CN(C(=O)c1cnn(C)c1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047299492 763919216 /nfs/dbraw/zinc/91/92/16/763919216.db2.gz YOCPRWSGVNYPSI-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)c1cnn(C)c1 ZINC001052123430 763950467 /nfs/dbraw/zinc/95/04/67/763950467.db2.gz ILDBBSZSPXKYHW-GOEBONIOSA-N 1 1 330.436 0.266 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3COc4ccccc43)C2)CC1 ZINC001052124096 763951932 /nfs/dbraw/zinc/95/19/32/763951932.db2.gz YLTQJJUBFYGRHY-NVXWUHKLSA-N 1 1 340.427 0.905 20 30 ECEDMO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047321919 763990001 /nfs/dbraw/zinc/99/00/01/763990001.db2.gz KUXOUTIAHUENLO-ULQDDVLXSA-N 1 1 329.400 0.598 20 30 ECEDMO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047321919 763990002 /nfs/dbraw/zinc/99/00/02/763990002.db2.gz KUXOUTIAHUENLO-ULQDDVLXSA-N 1 1 329.400 0.598 20 30 ECEDMO CN(C(=O)[C@@H]1CCCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047323462 763996044 /nfs/dbraw/zinc/99/60/44/763996044.db2.gz UZPFYSWAKGKBLD-SQNIBIBYSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)[C@@H]1CCCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047323462 763996047 /nfs/dbraw/zinc/99/60/47/763996047.db2.gz UZPFYSWAKGKBLD-SQNIBIBYSA-N 1 1 343.427 0.988 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001052206358 764052314 /nfs/dbraw/zinc/05/23/14/764052314.db2.gz GREPTCFYKIOVPM-HUUCEWRRSA-N 1 1 325.453 0.740 20 30 ECEDMO CO[C@@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1)C1CCC1 ZINC001047353843 764090529 /nfs/dbraw/zinc/09/05/29/764090529.db2.gz OZAGHBFJXHOSJY-ULQDDVLXSA-N 1 1 346.431 0.819 20 30 ECEDMO Cc1noc(C)c1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047354100 764091138 /nfs/dbraw/zinc/09/11/38/764091138.db2.gz YWACFAFLLRMFJV-HOTGVXAUSA-N 1 1 343.387 0.809 20 30 ECEDMO Cc1noc(C)c1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047354100 764091153 /nfs/dbraw/zinc/09/11/53/764091153.db2.gz YWACFAFLLRMFJV-HOTGVXAUSA-N 1 1 343.387 0.809 20 30 ECEDMO CCOC1CC(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001047355292 764095793 /nfs/dbraw/zinc/09/57/93/764095793.db2.gz ZVZOOILYPOXZHU-PFWSDMIYSA-N 1 1 346.431 0.819 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccnc(C#N)n3)C[C@@]2(C)C1 ZINC001052233521 764103515 /nfs/dbraw/zinc/10/35/15/764103515.db2.gz CTMYFJIVSIXTGS-LBTNJELSSA-N 1 1 340.431 0.727 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nn(C)c3ccccc23)C1 ZINC001047380762 764170038 /nfs/dbraw/zinc/17/00/38/764170038.db2.gz WFXVNPTYYUQCBV-ROUUACIJSA-N 1 1 340.427 0.643 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001047392321 764197136 /nfs/dbraw/zinc/19/71/36/764197136.db2.gz BJHPMPQCCCOVPD-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001047395244 764203350 /nfs/dbraw/zinc/20/33/50/764203350.db2.gz ZTWMXOIJHSJEKW-GJZGRUSLSA-N 1 1 345.403 0.768 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(=O)[nH]nc(CC)c2CC)C1 ZINC001047398131 764213735 /nfs/dbraw/zinc/21/37/35/764213735.db2.gz FCPCBUMQRVUFQM-GJZGRUSLSA-N 1 1 346.431 0.447 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(=O)[nH]nc(CC)c2CC)C1 ZINC001047398131 764213737 /nfs/dbraw/zinc/21/37/37/764213737.db2.gz FCPCBUMQRVUFQM-GJZGRUSLSA-N 1 1 346.431 0.447 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)n[nH]2)C1 ZINC001047398097 764214026 /nfs/dbraw/zinc/21/40/26/764214026.db2.gz CBXQCLAXSKZYEV-QWRGUYRKSA-N 1 1 341.209 0.313 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC001052309842 764226451 /nfs/dbraw/zinc/22/64/51/764226451.db2.gz OHTZEYIQQWGCFK-WFASDCNBSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001047405317 764238142 /nfs/dbraw/zinc/23/81/42/764238142.db2.gz FHKUNBQXEOLKOB-SQNIBIBYSA-N 1 1 327.428 0.792 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001047405317 764238147 /nfs/dbraw/zinc/23/81/47/764238147.db2.gz FHKUNBQXEOLKOB-SQNIBIBYSA-N 1 1 327.428 0.792 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)c[nH]1 ZINC001052319128 764242685 /nfs/dbraw/zinc/24/26/85/764242685.db2.gz RYZZSRHTOVRJOV-TZMCWYRMSA-N 1 1 343.387 0.276 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)CC2)[nH]1 ZINC001052320522 764243564 /nfs/dbraw/zinc/24/35/64/764243564.db2.gz QWOZSXRHLWMWGW-CYBMUJFWSA-N 1 1 344.419 0.496 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)[nH]1 ZINC001052319676 764243649 /nfs/dbraw/zinc/24/36/49/764243649.db2.gz INLFHDBMQMMFPS-FZMZJTMJSA-N 1 1 343.387 0.276 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001047407469 764249519 /nfs/dbraw/zinc/24/95/19/764249519.db2.gz HZEZJNYAKQMENV-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001047407649 764251277 /nfs/dbraw/zinc/25/12/77/764251277.db2.gz LOURZWJARILLHU-COXVUDFISA-N 1 1 330.432 0.661 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001047407651 764251345 /nfs/dbraw/zinc/25/13/45/764251345.db2.gz LOURZWJARILLHU-JQFCIGGWSA-N 1 1 330.432 0.661 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2C[NH+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001032042351 764266766 /nfs/dbraw/zinc/26/67/66/764266766.db2.gz ZHSAXPVKCNFYHI-HNNXBMFYSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001047413165 764267404 /nfs/dbraw/zinc/26/74/04/764267404.db2.gz ZRENCQLZZDKVGJ-HOTGVXAUSA-N 1 1 329.400 0.413 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)C1 ZINC001106069002 764297492 /nfs/dbraw/zinc/29/74/92/764297492.db2.gz KOIWCFADMYUKHD-JKSUJKDBSA-N 1 1 345.447 0.964 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001047427947 764314462 /nfs/dbraw/zinc/31/44/62/764314462.db2.gz PUPMEPNEVBIHNX-BPUTZDHNSA-N 1 1 330.432 0.606 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)nc(OC)c2)C1 ZINC001047443982 764364966 /nfs/dbraw/zinc/36/49/66/764364966.db2.gz SYQGSNJREXCKCF-KBPBESRZSA-N 1 1 333.388 0.239 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)nc(OC)c2)C1 ZINC001047443982 764364972 /nfs/dbraw/zinc/36/49/72/764364972.db2.gz SYQGSNJREXCKCF-KBPBESRZSA-N 1 1 333.388 0.239 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnc(C)nc3C)C2)C1=O ZINC001032059345 764365481 /nfs/dbraw/zinc/36/54/81/764365481.db2.gz YQDIHXJKRCYLFT-INIZCTEOSA-N 1 1 343.431 0.542 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccccc3C2)C1 ZINC001047449965 764382023 /nfs/dbraw/zinc/38/20/23/764382023.db2.gz IIJZPIGBOSFVCI-IKGGRYGDSA-N 1 1 328.412 0.765 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccccc3C2)C1 ZINC001047449965 764382028 /nfs/dbraw/zinc/38/20/28/764382028.db2.gz IIJZPIGBOSFVCI-IKGGRYGDSA-N 1 1 328.412 0.765 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3nc4ncccn4n3)C2)cc1 ZINC001032062237 764383416 /nfs/dbraw/zinc/38/34/16/764383416.db2.gz NLWQQGCHLVIKEM-UHFFFAOYSA-N 1 1 347.382 0.858 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC001088896039 764390425 /nfs/dbraw/zinc/39/04/25/764390425.db2.gz LQLZCJDDDUTVAK-OCCSQVGLSA-N 1 1 334.420 0.243 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)c3cnon3)C2)cc1C#N ZINC001032063566 764392297 /nfs/dbraw/zinc/39/22/97/764392297.db2.gz FHXRQALWGWRSIQ-UHFFFAOYSA-N 1 1 327.344 0.812 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ccnc2OC)C1 ZINC001047453493 764395323 /nfs/dbraw/zinc/39/53/23/764395323.db2.gz IPCWMTJYZPRIJZ-STQMWFEESA-N 1 1 335.404 0.792 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccc(C)cn32)C1 ZINC001047457866 764403980 /nfs/dbraw/zinc/40/39/80/764403980.db2.gz QQGUMXNEUCIDIC-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccc(C)cn32)C1 ZINC001047457866 764403985 /nfs/dbraw/zinc/40/39/85/764403985.db2.gz QQGUMXNEUCIDIC-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015356248 764427218 /nfs/dbraw/zinc/42/72/18/764427218.db2.gz JOBJXSHDDZPBJF-BBWFWOEESA-N 1 1 335.448 0.080 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015356248 764427221 /nfs/dbraw/zinc/42/72/21/764427221.db2.gz JOBJXSHDDZPBJF-BBWFWOEESA-N 1 1 335.448 0.080 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001047468493 764428689 /nfs/dbraw/zinc/42/86/89/764428689.db2.gz JLAPCHPONIXSFU-ILXRZTDVSA-N 1 1 333.436 0.229 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001088913978 764435316 /nfs/dbraw/zinc/43/53/16/764435316.db2.gz BHCIOAIFGDMLHN-OSFYFWSMSA-N 1 1 349.435 0.169 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)cc1 ZINC001047481252 764473385 /nfs/dbraw/zinc/47/33/85/764473385.db2.gz YLHKSZBROFSQND-ROUUACIJSA-N 1 1 338.411 0.682 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccncn3)[C@H]2C)C1=O ZINC001088930670 764504352 /nfs/dbraw/zinc/50/43/52/764504352.db2.gz OPPORRACYPULKU-VNHYZAJKSA-N 1 1 329.404 0.456 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccncn3)[C@H]2C)C1=O ZINC001088930670 764504362 /nfs/dbraw/zinc/50/43/62/764504362.db2.gz OPPORRACYPULKU-VNHYZAJKSA-N 1 1 329.404 0.456 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001047502396 764530486 /nfs/dbraw/zinc/53/04/86/764530486.db2.gz LTMLBCMMGUTVMF-XIRDDKMYSA-N 1 1 332.448 0.834 20 30 ECEDMO CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047505822 764541952 /nfs/dbraw/zinc/54/19/52/764541952.db2.gz YCJDCYJCAJQQRJ-PVAVHDDUSA-N 1 1 330.432 0.281 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2O)C1 ZINC001047519537 764574029 /nfs/dbraw/zinc/57/40/29/764574029.db2.gz HDDJVCZGXDHPID-KKUMJFAQSA-N 1 1 345.447 0.625 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)c1 ZINC001047521465 764581104 /nfs/dbraw/zinc/58/11/04/764581104.db2.gz UJVCNCPHEWNFKD-ROUUACIJSA-N 1 1 343.427 0.607 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(CC)nn3)[C@H]2C)C1=O ZINC001088947395 764585442 /nfs/dbraw/zinc/58/54/42/764585442.db2.gz YFTPOCIIGBCFFD-IPYPFGDCSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(CC)nn3)[C@H]2C)C1=O ZINC001088947395 764585447 /nfs/dbraw/zinc/58/54/47/764585447.db2.gz YFTPOCIIGBCFFD-IPYPFGDCSA-N 1 1 346.435 0.278 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn(C)c3c2CCCC3)C1 ZINC001047537853 764628614 /nfs/dbraw/zinc/62/86/14/764628614.db2.gz ZMGFFPUQFZIEAS-HOTGVXAUSA-N 1 1 332.448 0.992 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnnn1 ZINC001089879600 764634234 /nfs/dbraw/zinc/63/42/34/764634234.db2.gz DDNJYDJHJAFMFK-JONQDZQNSA-N 1 1 328.420 0.255 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cnnn2)C1 ZINC001089879617 764634739 /nfs/dbraw/zinc/63/47/39/764634739.db2.gz DHBLHLIVEAIZAG-VGWMRTNUSA-N 1 1 330.436 0.808 20 30 ECEDMO C=CCCNCc1cn([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098768345 764652387 /nfs/dbraw/zinc/65/23/87/764652387.db2.gz SJHNDAMQBUKBJB-MRXNPFEDSA-N 1 1 344.463 0.813 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=O)N(C)C ZINC001099073780 764678398 /nfs/dbraw/zinc/67/83/98/764678398.db2.gz CHSONVBGLXZIFR-GJZGRUSLSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(=O)N(C)C ZINC001099073780 764678404 /nfs/dbraw/zinc/67/84/04/764678404.db2.gz CHSONVBGLXZIFR-GJZGRUSLSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cn[nH]n3)CC2)C1=O ZINC001052521502 764682183 /nfs/dbraw/zinc/68/21/83/764682183.db2.gz YYMVZFCAXZCOKD-GXTWGEPZSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001052521502 764682196 /nfs/dbraw/zinc/68/21/96/764682196.db2.gz YYMVZFCAXZCOKD-GXTWGEPZSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001052521502 764682203 /nfs/dbraw/zinc/68/22/03/764682203.db2.gz YYMVZFCAXZCOKD-GXTWGEPZSA-N 1 1 332.408 0.176 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)cc1 ZINC001047555688 764684692 /nfs/dbraw/zinc/68/46/92/764684692.db2.gz MMFDEXJVIUJJKI-JQFCIGGWSA-N 1 1 332.400 0.197 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001015457770 764687044 /nfs/dbraw/zinc/68/70/44/764687044.db2.gz YPRRHAULQGLZBF-GFCCVEGCSA-N 1 1 330.396 0.464 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001052526861 764694700 /nfs/dbraw/zinc/69/47/00/764694700.db2.gz LSUUMAZIANINLG-LBPRGKRZSA-N 1 1 339.417 0.535 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC001052534046 764708728 /nfs/dbraw/zinc/70/87/28/764708728.db2.gz BJFSGDYFXYPXIW-OAHLLOKOSA-N 1 1 332.448 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC001052534046 764708734 /nfs/dbraw/zinc/70/87/34/764708734.db2.gz BJFSGDYFXYPXIW-OAHLLOKOSA-N 1 1 332.448 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@@H]2C)nc1 ZINC001088988270 764713304 /nfs/dbraw/zinc/71/33/04/764713304.db2.gz NDHGCLIWSDLRGT-ZBFHGGJFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@@H]2C)nc1 ZINC001088988270 764713309 /nfs/dbraw/zinc/71/33/09/764713309.db2.gz NDHGCLIWSDLRGT-ZBFHGGJFSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc(OC)ccc23)C1 ZINC001047567857 764713451 /nfs/dbraw/zinc/71/34/51/764713451.db2.gz YSHDQROOEDJZEN-HOTGVXAUSA-N 1 1 330.388 0.646 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc(OC)ccc23)C1 ZINC001047567857 764713460 /nfs/dbraw/zinc/71/34/60/764713460.db2.gz YSHDQROOEDJZEN-HOTGVXAUSA-N 1 1 330.388 0.646 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212193413 764715008 /nfs/dbraw/zinc/71/50/08/764715008.db2.gz FBSFLLUXFCCUCA-BFYDXBDKSA-N 1 1 336.436 0.371 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212193413 764715019 /nfs/dbraw/zinc/71/50/19/764715019.db2.gz FBSFLLUXFCCUCA-BFYDXBDKSA-N 1 1 336.436 0.371 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)[C@H]1C ZINC001088990431 764716643 /nfs/dbraw/zinc/71/66/43/764716643.db2.gz VQXWKHUIYNTVNX-ABAIWWIYSA-N 1 1 325.368 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2C)cn1 ZINC001088990543 764716756 /nfs/dbraw/zinc/71/67/56/764716756.db2.gz CFYLUFOPGKVUIG-CJNGLKHVSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)cn1 ZINC001088990543 764716762 /nfs/dbraw/zinc/71/67/62/764716762.db2.gz CFYLUFOPGKVUIG-CJNGLKHVSA-N 1 1 326.400 0.488 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC001047572999 764735165 /nfs/dbraw/zinc/73/51/65/764735165.db2.gz IFACAEZGMKXXEZ-IRXDYDNUSA-N 1 1 343.427 0.806 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC001047572999 764735175 /nfs/dbraw/zinc/73/51/75/764735175.db2.gz IFACAEZGMKXXEZ-IRXDYDNUSA-N 1 1 343.427 0.806 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOCCCC)C[C@H]1OC ZINC001212193740 764755326 /nfs/dbraw/zinc/75/53/26/764755326.db2.gz KFDBHGBYXJROCY-BFYDXBDKSA-N 1 1 328.453 0.946 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)cc1 ZINC001015487918 764763573 /nfs/dbraw/zinc/76/35/73/764763573.db2.gz NUUUVBGVXJVPHI-MSOLQXFVSA-N 1 1 338.411 0.730 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001047581311 764767065 /nfs/dbraw/zinc/76/70/65/764767065.db2.gz TZKUIJPHOUCIRI-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]cnc3CC)[C@H]2C)C1=O ZINC001089011427 764767902 /nfs/dbraw/zinc/76/79/02/764767902.db2.gz AIXQSZKTZUJDEC-VHDGCEQUSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3[nH]cnc3CC)[C@H]2C)C1=O ZINC001089011427 764767908 /nfs/dbraw/zinc/76/79/08/764767908.db2.gz AIXQSZKTZUJDEC-VHDGCEQUSA-N 1 1 345.447 0.952 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3nsnc32)C1 ZINC001047584639 764778658 /nfs/dbraw/zinc/77/86/58/764778658.db2.gz WGOVKZUTBZWOLJ-KBPBESRZSA-N 1 1 330.413 0.832 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OC)cc2F)C1 ZINC001047584745 764779179 /nfs/dbraw/zinc/77/91/79/764779179.db2.gz XPTGHMBSLOLMMG-IRXDYDNUSA-N 1 1 334.391 0.904 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OC)cc2F)C1 ZINC001047584745 764779187 /nfs/dbraw/zinc/77/91/87/764779187.db2.gz XPTGHMBSLOLMMG-IRXDYDNUSA-N 1 1 334.391 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC001032137592 764790252 /nfs/dbraw/zinc/79/02/52/764790252.db2.gz UHYANTHGKXSKBV-MRXNPFEDSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001047590351 764801152 /nfs/dbraw/zinc/80/11/52/764801152.db2.gz DOJFJMHDNKKFLE-STQMWFEESA-N 1 1 338.839 0.776 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2csc(COC)n2)C1 ZINC001047591208 764803374 /nfs/dbraw/zinc/80/33/74/764803374.db2.gz REMUMVMJCPMEGQ-KBPBESRZSA-N 1 1 339.461 0.912 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001047593977 764816067 /nfs/dbraw/zinc/81/60/67/764816067.db2.gz JPLDWHVXVZENDG-CKUJCDMFSA-N 1 1 335.448 0.018 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001047593977 764816074 /nfs/dbraw/zinc/81/60/74/764816074.db2.gz JPLDWHVXVZENDG-CKUJCDMFSA-N 1 1 335.448 0.018 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001047597631 764827248 /nfs/dbraw/zinc/82/72/48/764827248.db2.gz WFTYZJJZEOCNMB-JQFCIGGWSA-N 1 1 332.448 0.984 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001047599526 764838863 /nfs/dbraw/zinc/83/88/63/764838863.db2.gz XMEWAEGUYXWRDV-GJZGRUSLSA-N 1 1 332.404 0.134 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)cc(OC)c2)C1 ZINC001047609334 764869715 /nfs/dbraw/zinc/86/97/15/764869715.db2.gz MMNVMFMOFNBRLF-IRXDYDNUSA-N 1 1 332.400 0.844 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c3c2CCCCC3)C1 ZINC001047624448 764914327 /nfs/dbraw/zinc/91/43/27/764914327.db2.gz KDWFDPPNHNOTOO-HOTGVXAUSA-N 1 1 330.432 0.819 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c3c2CCCCC3)C1 ZINC001047624448 764914332 /nfs/dbraw/zinc/91/43/32/764914332.db2.gz KDWFDPPNHNOTOO-HOTGVXAUSA-N 1 1 330.432 0.819 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047624384 764914387 /nfs/dbraw/zinc/91/43/87/764914387.db2.gz MYNLFECSZDEQEZ-KBMXLJTQSA-N 1 1 335.448 0.467 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047624384 764914393 /nfs/dbraw/zinc/91/43/93/764914393.db2.gz MYNLFECSZDEQEZ-KBMXLJTQSA-N 1 1 335.448 0.467 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001052639988 764915925 /nfs/dbraw/zinc/91/59/25/764915925.db2.gz DVLJDDJFAIBNGR-GDBMZVCRSA-N 1 1 346.431 0.442 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CSCC#N)C1 ZINC001052642074 764920020 /nfs/dbraw/zinc/92/00/20/764920020.db2.gz OWKXGWPQVZZUSZ-OCCSQVGLSA-N 1 1 349.460 0.659 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001047628204 764929109 /nfs/dbraw/zinc/92/91/09/764929109.db2.gz DUVQYZBDLUDJMN-HOTGVXAUSA-N 1 1 331.416 0.969 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C(N)=O)CC2)cc1 ZINC001052671206 764971622 /nfs/dbraw/zinc/97/16/22/764971622.db2.gz BTJFJLLURJEWMG-AWEZNQCLSA-N 1 1 330.388 0.545 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3csc(=O)[nH]3)C2)C1=O ZINC001015583949 765001472 /nfs/dbraw/zinc/00/14/72/765001472.db2.gz KVFBUXYUXPMHMI-CMPLNLGQSA-N 1 1 336.417 0.440 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3csc(=O)[nH]3)C2)C1=O ZINC001015583949 765001479 /nfs/dbraw/zinc/00/14/79/765001479.db2.gz KVFBUXYUXPMHMI-CMPLNLGQSA-N 1 1 336.417 0.440 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000991983307 765056709 /nfs/dbraw/zinc/05/67/09/765056709.db2.gz GNGRTDKIJVTNSS-BDVYOWHSSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cc4c(=O)[nH]c(C)cn4n3)CCC[C@H]12 ZINC000991990757 765082186 /nfs/dbraw/zinc/08/21/86/765082186.db2.gz ABIYPNXTHHQLMJ-MAUKXSAKSA-N 1 1 339.399 0.691 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)nn1 ZINC001052774702 765096217 /nfs/dbraw/zinc/09/62/17/765096217.db2.gz HGHGKKMGJWBYIY-JSGCOSHPSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccn(C)n3)CC2)nn1 ZINC001052775690 765099486 /nfs/dbraw/zinc/09/94/86/765099486.db2.gz WNPBJPRDXPVWKB-AWEZNQCLSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccn(C)n3)CC2)nn1 ZINC001052775690 765099495 /nfs/dbraw/zinc/09/94/95/765099495.db2.gz WNPBJPRDXPVWKB-AWEZNQCLSA-N 1 1 343.435 0.982 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)C1 ZINC001015671975 765146354 /nfs/dbraw/zinc/14/63/54/765146354.db2.gz JEHSNOIJVCKEBK-ZDUSSCGKSA-N 1 1 346.431 0.131 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)C1 ZINC001015671975 765146357 /nfs/dbraw/zinc/14/63/57/765146357.db2.gz JEHSNOIJVCKEBK-ZDUSSCGKSA-N 1 1 346.431 0.131 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001015675615 765147681 /nfs/dbraw/zinc/14/76/81/765147681.db2.gz BXIUULSYHKGECW-GJZGRUSLSA-N 1 1 335.448 0.517 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cccnc3C)C2)C1=O ZINC001015699808 765185792 /nfs/dbraw/zinc/18/57/92/765185792.db2.gz BXLSJGBSGQDBMJ-SJORKVTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cccnc3C)C2)C1=O ZINC001015699808 765185796 /nfs/dbraw/zinc/18/57/96/765185796.db2.gz BXLSJGBSGQDBMJ-SJORKVTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000992027410 765202978 /nfs/dbraw/zinc/20/29/78/765202978.db2.gz CIISZAWMPWKRCQ-HOCLYGCPSA-N 1 1 332.404 0.500 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001052840898 765210978 /nfs/dbraw/zinc/21/09/78/765210978.db2.gz IXPZHKMIQDBVKA-GOEBONIOSA-N 1 1 348.447 0.995 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000992046273 765274645 /nfs/dbraw/zinc/27/46/45/765274645.db2.gz IWVHXNMRQRFJDV-OPFPJEHXSA-N 1 1 343.431 0.853 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccn(C)n3)CC2)C1=O ZINC001052931493 765371543 /nfs/dbraw/zinc/37/15/43/765371543.db2.gz WMKREAKSDBBNSR-GOEBONIOSA-N 1 1 345.447 0.791 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN([C@@H](C)C(N)=O)CC2)CC1 ZINC001052954560 765410381 /nfs/dbraw/zinc/41/03/81/765410381.db2.gz OXDISGJRXMETKL-HOCLYGCPSA-N 1 1 334.464 0.176 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992087463 765434943 /nfs/dbraw/zinc/43/49/43/765434943.db2.gz AGIPJAQERFNOHK-RDTXWAMCSA-N 1 1 339.439 0.878 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H](CNC(=O)C#CC2CC2)C1 ZINC001052988018 765464981 /nfs/dbraw/zinc/46/49/81/765464981.db2.gz RAILSRGARKLGDJ-XJKSGUPXSA-N 1 1 328.416 0.816 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001053029392 765500823 /nfs/dbraw/zinc/50/08/23/765500823.db2.gz RBCISHGRTWCWIU-SJORKVTESA-N 1 1 349.475 0.982 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001053032296 765506616 /nfs/dbraw/zinc/50/66/16/765506616.db2.gz NVFWUVFLKVGYSW-IRXDYDNUSA-N 1 1 346.475 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCn3cnnn3)C2)C1 ZINC001053047036 765524625 /nfs/dbraw/zinc/52/46/25/765524625.db2.gz OYKAUCWVJNTTSB-HOTGVXAUSA-N 1 1 330.436 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001053052299 765529213 /nfs/dbraw/zinc/52/92/13/765529213.db2.gz UITLYRNWCGVSLN-CABCVRRESA-N 1 1 346.431 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001053052335 765529293 /nfs/dbraw/zinc/52/92/93/765529293.db2.gz UYSVLCHWNDBQDA-HOTGVXAUSA-N 1 1 345.443 0.719 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cnnn2)C1 ZINC001053066812 765540963 /nfs/dbraw/zinc/54/09/63/765540963.db2.gz ODISMJNWHYLXPB-HOTGVXAUSA-N 1 1 330.436 0.790 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001077492617 765553889 /nfs/dbraw/zinc/55/38/89/765553889.db2.gz RYHZOXHGKBFGKQ-CHWSQXEVSA-N 1 1 334.420 0.965 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2ncnn2)C1 ZINC001053087630 765562738 /nfs/dbraw/zinc/56/27/38/765562738.db2.gz VFSAVJGTJUZQBM-CVEARBPZSA-N 1 1 330.436 0.790 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3C3CC3)C2)C1=O ZINC001015932477 765574103 /nfs/dbraw/zinc/57/41/03/765574103.db2.gz WUQZESDYJNBVRZ-ZFWWWQNUSA-N 1 1 343.431 0.878 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3C3CC3)C2)C1=O ZINC001015932477 765574107 /nfs/dbraw/zinc/57/41/07/765574107.db2.gz WUQZESDYJNBVRZ-ZFWWWQNUSA-N 1 1 343.431 0.878 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001053107107 765582149 /nfs/dbraw/zinc/58/21/49/765582149.db2.gz ZJQZKDCUGKAOAZ-CABCVRRESA-N 1 1 348.447 0.817 20 30 ECEDMO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001077499814 765724525 /nfs/dbraw/zinc/72/45/25/765724525.db2.gz RVEGBJFWTKYIBT-LSDHHAIUSA-N 1 1 325.453 0.932 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(CC=C)C3=O)C2)nc1 ZINC001016026782 765729843 /nfs/dbraw/zinc/72/98/43/765729843.db2.gz JJGJHYTXOMREJP-DOTOQJQBSA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(CC=C)C3=O)C2)nc1 ZINC001016026782 765729848 /nfs/dbraw/zinc/72/98/48/765729848.db2.gz JJGJHYTXOMREJP-DOTOQJQBSA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)nc1 ZINC001016027222 765731130 /nfs/dbraw/zinc/73/11/30/765731130.db2.gz NOKVVGTXAFYROH-HZPDHXFCSA-N 1 1 339.399 0.125 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001106105430 765761758 /nfs/dbraw/zinc/76/17/58/765761758.db2.gz UGPIHBAVMLTKQQ-GXTWGEPZSA-N 1 1 346.435 0.141 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H]2CCNC2=O)CC3)c1 ZINC000992173397 765765888 /nfs/dbraw/zinc/76/58/88/765765888.db2.gz FTJBDDBESHLBOS-MDZRGWNJSA-N 1 1 338.411 0.678 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCOC3(C[NH+](C[C@H]4CCOC4)C3)C2)c1 ZINC001053210362 765768693 /nfs/dbraw/zinc/76/86/93/765768693.db2.gz CPJYWFBWNWMGCX-CYBMUJFWSA-N 1 1 330.388 0.450 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncccc3OC)C2)C1=O ZINC001016093212 765774108 /nfs/dbraw/zinc/77/41/08/765774108.db2.gz NXSPNIGVCUUNPB-UONOGXRCSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncccc3OC)C2)C1=O ZINC001016093212 765774111 /nfs/dbraw/zinc/77/41/11/765774111.db2.gz NXSPNIGVCUUNPB-UONOGXRCSA-N 1 1 344.415 0.681 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001016113045 765797968 /nfs/dbraw/zinc/79/79/68/765797968.db2.gz GLVRNSOEWAVVDH-WMLDXEAASA-N 1 1 327.428 0.878 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001016113045 765797973 /nfs/dbraw/zinc/79/79/73/765797973.db2.gz GLVRNSOEWAVVDH-WMLDXEAASA-N 1 1 327.428 0.878 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC000992185062 765812808 /nfs/dbraw/zinc/81/28/08/765812808.db2.gz YGHPDDMPGRZZAO-PASDCYSWSA-N 1 1 347.459 0.923 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC001017722014 768323862 /nfs/dbraw/zinc/32/38/62/768323862.db2.gz ZLPDPKABPLGZGA-UHFFFAOYSA-N 1 1 349.394 0.917 20 30 ECEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCOC2(CN(CC#N)C2)C1 ZINC001053263400 765864116 /nfs/dbraw/zinc/86/41/16/765864116.db2.gz LXSDNFZEHIMIQT-CQSZACIVSA-N 1 1 331.420 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cc(C)no2)C1 ZINC000992205051 765889081 /nfs/dbraw/zinc/88/90/81/765889081.db2.gz BMIPWZDYVMQHOI-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cc(C)no2)C1 ZINC000992205051 765889089 /nfs/dbraw/zinc/88/90/89/765889089.db2.gz BMIPWZDYVMQHOI-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3csc(C)n3)C2)C1=O ZINC001016197244 765893885 /nfs/dbraw/zinc/89/38/85/765893885.db2.gz HWAKAWSEXKUCED-UKRRQHHQSA-N 1 1 348.472 0.971 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3csc(C)n3)C2)C1=O ZINC001016197244 765893887 /nfs/dbraw/zinc/89/38/87/765893887.db2.gz HWAKAWSEXKUCED-UKRRQHHQSA-N 1 1 348.472 0.971 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CCO2 ZINC001053286525 765908499 /nfs/dbraw/zinc/90/84/99/765908499.db2.gz COIURNKHJPGQNW-HNNXBMFYSA-N 1 1 328.416 0.697 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@]1(C)CCNC(=O)C1)CCO2 ZINC001053308248 765945027 /nfs/dbraw/zinc/94/50/27/765945027.db2.gz GESMSOZKVOKSOA-KRWDZBQOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccn(C)c(=O)c1)CCO2 ZINC001053311959 765950547 /nfs/dbraw/zinc/95/05/47/765950547.db2.gz GSAFWYCKSVYGOH-UHFFFAOYSA-N 1 1 331.416 0.878 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCCC(=O)N1)CCO2 ZINC001053334233 765992331 /nfs/dbraw/zinc/99/23/31/765992331.db2.gz RPGFXUAGCHYSOD-HNNXBMFYSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc[nH]n2)C1 ZINC001016272435 766016548 /nfs/dbraw/zinc/01/65/48/766016548.db2.gz ORALUIXGHMIVHK-PIMMBPRGSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc[nH]n2)C1 ZINC001016272435 766016552 /nfs/dbraw/zinc/01/65/52/766016552.db2.gz ORALUIXGHMIVHK-PIMMBPRGSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccn[nH]2)C1 ZINC001016272435 766016558 /nfs/dbraw/zinc/01/65/58/766016558.db2.gz ORALUIXGHMIVHK-PIMMBPRGSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccn[nH]2)C1 ZINC001016272435 766016563 /nfs/dbraw/zinc/01/65/63/766016563.db2.gz ORALUIXGHMIVHK-PIMMBPRGSA-N 1 1 329.404 0.227 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccc(C)nc3)C2)C1=O ZINC001016272627 766016624 /nfs/dbraw/zinc/01/66/24/766016624.db2.gz OHDQUOVDPBIWKH-DLBZAZTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(C)nc3)C2)C1=O ZINC001016272627 766016631 /nfs/dbraw/zinc/01/66/31/766016631.db2.gz OHDQUOVDPBIWKH-DLBZAZTESA-N 1 1 342.443 0.910 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2N(C)C(C)=O)[C@@H](O)C1 ZINC001083684074 766084503 /nfs/dbraw/zinc/08/45/03/766084503.db2.gz DRSBOKUSAOJKIC-WBVHZDCISA-N 1 1 329.400 0.468 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cn(C)c(=O)n(C)c3=O)CCC[C@H]12 ZINC000992271841 766114391 /nfs/dbraw/zinc/11/43/91/766114391.db2.gz OBYGGHUPCYOCIP-KSSFIOAISA-N 1 1 346.431 0.387 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001016324801 766114460 /nfs/dbraw/zinc/11/44/60/766114460.db2.gz AWDHUVHDGWYNRF-PIMMBPRGSA-N 1 1 329.404 0.700 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN([C@@H](C)c3n[nH]c(C)n3)C2)CC1 ZINC001016338400 766146474 /nfs/dbraw/zinc/14/64/74/766146474.db2.gz ZWXKRWINQKKWKU-XJKSGUPXSA-N 1 1 344.463 0.710 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001016358161 766182455 /nfs/dbraw/zinc/18/24/55/766182455.db2.gz YNSVKXWDXPIFQL-HIFRSBDPSA-N 1 1 331.416 0.858 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001016358161 766182457 /nfs/dbraw/zinc/18/24/57/766182457.db2.gz YNSVKXWDXPIFQL-HIFRSBDPSA-N 1 1 331.416 0.858 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001016414947 766256139 /nfs/dbraw/zinc/25/61/39/766256139.db2.gz VRUPBCJHACHZRT-GRTSSRMGSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](C[C@H](C)O)CC3)nn1 ZINC000992321655 766264214 /nfs/dbraw/zinc/26/42/14/766264214.db2.gz NXTAUYYZYHDPTE-LXZKKBNFSA-N 1 1 333.436 0.962 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001106126499 766269280 /nfs/dbraw/zinc/26/92/80/766269280.db2.gz MWWFMDQZPDZNJF-GFCCVEGCSA-N 1 1 343.391 0.257 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC(=O)N1C)CCO2 ZINC001053520473 766274163 /nfs/dbraw/zinc/27/41/63/766274163.db2.gz ICKIYXSZDBVJCX-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000992372065 766415189 /nfs/dbraw/zinc/41/51/89/766415189.db2.gz QGCBFBQXGRQPHF-DZGCQCFKSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC(=O)N(CC)C1)O2 ZINC001053606088 766420047 /nfs/dbraw/zinc/42/00/47/766420047.db2.gz HFZIFNFPBCBFCM-LSDHHAIUSA-N 1 1 333.432 0.228 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1 ZINC001053607517 766423173 /nfs/dbraw/zinc/42/31/73/766423173.db2.gz YEZGDPUBZUMDNW-CVEARBPZSA-N 1 1 334.464 0.837 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnn1CCOC)O2 ZINC001053615198 766438384 /nfs/dbraw/zinc/43/83/84/766438384.db2.gz DRVLXHGBSLXOSY-OAHLLOKOSA-N 1 1 346.431 0.516 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)O2 ZINC001053617931 766444769 /nfs/dbraw/zinc/44/47/69/766444769.db2.gz KJDYMDTUZDBFSU-OWCLPIDISA-N 1 1 335.448 0.078 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)O2 ZINC001053617931 766444772 /nfs/dbraw/zinc/44/47/72/766444772.db2.gz KJDYMDTUZDBFSU-OWCLPIDISA-N 1 1 335.448 0.078 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)O2 ZINC001053618205 766444791 /nfs/dbraw/zinc/44/47/91/766444791.db2.gz RXXDVJKBHKUSPN-OWCLPIDISA-N 1 1 335.448 0.078 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)O2 ZINC001053618205 766444798 /nfs/dbraw/zinc/44/47/98/766444798.db2.gz RXXDVJKBHKUSPN-OWCLPIDISA-N 1 1 335.448 0.078 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)O2 ZINC001053620064 766452022 /nfs/dbraw/zinc/45/20/22/766452022.db2.gz FRYYOAMDRKOCIQ-AWEZNQCLSA-N 1 1 346.431 0.723 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)cn1 ZINC000992403181 766491483 /nfs/dbraw/zinc/49/14/83/766491483.db2.gz AXXIZXRRFJTKLB-QAPCUYQASA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)cn1 ZINC000992403181 766491491 /nfs/dbraw/zinc/49/14/91/766491491.db2.gz AXXIZXRRFJTKLB-QAPCUYQASA-N 1 1 326.400 0.536 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001045924039 766496961 /nfs/dbraw/zinc/49/69/61/766496961.db2.gz GGHQJGDQFOIPRQ-GUYCJALGSA-N 1 1 346.435 0.473 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001045924039 766496970 /nfs/dbraw/zinc/49/69/70/766496970.db2.gz GGHQJGDQFOIPRQ-GUYCJALGSA-N 1 1 346.435 0.473 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001045940383 766511281 /nfs/dbraw/zinc/51/12/81/766511281.db2.gz XAMOVAQDUZCDED-INIZCTEOSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001045940383 766511286 /nfs/dbraw/zinc/51/12/86/766511286.db2.gz XAMOVAQDUZCDED-INIZCTEOSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001045943963 766514320 /nfs/dbraw/zinc/51/43/20/766514320.db2.gz SFCXMYOEHDQONG-KSSFIOAISA-N 1 1 348.447 0.865 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2 ZINC001045948026 766518729 /nfs/dbraw/zinc/51/87/29/766518729.db2.gz SQWBVEXHOBUKAS-ZBFHGGJFSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2 ZINC001045948026 766518731 /nfs/dbraw/zinc/51/87/31/766518731.db2.gz SQWBVEXHOBUKAS-ZBFHGGJFSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001045948839 766519880 /nfs/dbraw/zinc/51/98/80/766519880.db2.gz STESQGDBVURRRN-SFHVURJKSA-N 1 1 345.447 0.310 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)nc1 ZINC000992427709 766547556 /nfs/dbraw/zinc/54/75/56/766547556.db2.gz ZQAOWYYJKVSXBR-CRAIPNDOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)nc1 ZINC000992427709 766547561 /nfs/dbraw/zinc/54/75/61/766547561.db2.gz ZQAOWYYJKVSXBR-CRAIPNDOSA-N 1 1 326.400 0.536 20 30 ECEDMO COCC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001045989442 766565520 /nfs/dbraw/zinc/56/55/20/766565520.db2.gz JLQJXDGEFASADS-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(CCOC)c1)O2 ZINC001053693500 766600870 /nfs/dbraw/zinc/60/08/70/766600870.db2.gz FEOYNAOEJHGYSH-MRXNPFEDSA-N 1 1 346.431 0.516 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2-c2cnn(C)c2)C1 ZINC001077558599 766614112 /nfs/dbraw/zinc/61/41/12/766614112.db2.gz GTIXAFBHXFDHCR-HUUCEWRRSA-N 1 1 328.372 0.478 20 30 ECEDMO Cc1ncc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)cn1 ZINC001046012584 766639485 /nfs/dbraw/zinc/63/94/85/766639485.db2.gz PUVAZHWTIPDRIP-WMLDXEAASA-N 1 1 342.447 0.663 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](CCc3ccnn3C)C2)CC1 ZINC001046012819 766640778 /nfs/dbraw/zinc/64/07/78/766640778.db2.gz QICUJENGXUBERX-NVXWUHKLSA-N 1 1 344.463 0.341 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 ZINC001046019754 766660609 /nfs/dbraw/zinc/66/06/09/766660609.db2.gz IREGLBNQWFQPGD-IRXDYDNUSA-N 1 1 336.480 0.112 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC001046020669 766663702 /nfs/dbraw/zinc/66/37/02/766663702.db2.gz WIKILERNWUBNCZ-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 ZINC000992475087 766665165 /nfs/dbraw/zinc/66/51/65/766665165.db2.gz MWAXETDFAQNYBR-IAQYHMDHSA-N 1 1 340.811 0.404 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 ZINC000992475087 766665167 /nfs/dbraw/zinc/66/51/67/766665167.db2.gz MWAXETDFAQNYBR-IAQYHMDHSA-N 1 1 340.811 0.404 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cc3nc4ncccn4n3)CCC[C@H]12 ZINC000992478014 766670528 /nfs/dbraw/zinc/67/05/28/766670528.db2.gz OVOYGFUVROATMV-KSSFIOAISA-N 1 1 338.415 0.803 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046025684 766680388 /nfs/dbraw/zinc/68/03/88/766680388.db2.gz JKSUEDIYTQGYSV-HNNXBMFYSA-N 1 1 332.452 0.613 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc(C)[nH]3)CC2)C1 ZINC001046026079 766681515 /nfs/dbraw/zinc/68/15/15/766681515.db2.gz CDYMACPPVWBOSG-HNNXBMFYSA-N 1 1 332.452 0.450 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCOC2)C1 ZINC000994749926 766693920 /nfs/dbraw/zinc/69/39/20/766693920.db2.gz FGXHMCCWSXTQJG-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCOC2)C1 ZINC000994749926 766693926 /nfs/dbraw/zinc/69/39/26/766693926.db2.gz FGXHMCCWSXTQJG-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992487619 766695712 /nfs/dbraw/zinc/69/57/12/766695712.db2.gz DNTJKEAVCAYAGR-SUMWQHHRSA-N 1 1 330.388 0.236 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)C1 ZINC001046029731 766695843 /nfs/dbraw/zinc/69/58/43/766695843.db2.gz AGXWWNRKRVTBLK-HZPDHXFCSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(C)c2CC)C1 ZINC000994751041 766696109 /nfs/dbraw/zinc/69/61/09/766696109.db2.gz LSMDEJZKBURKPN-INIZCTEOSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(C)c2CC)C1 ZINC000994751041 766696113 /nfs/dbraw/zinc/69/61/13/766696113.db2.gz LSMDEJZKBURKPN-INIZCTEOSA-N 1 1 343.431 0.021 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC001046030656 766698071 /nfs/dbraw/zinc/69/80/71/766698071.db2.gz XFMVFTUBGMZZQY-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c(Cl)cnn3C)CC2)C1 ZINC001046030632 766698284 /nfs/dbraw/zinc/69/82/84/766698284.db2.gz WPIRRMOCXKUKJX-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001077560745 766698741 /nfs/dbraw/zinc/69/87/41/766698741.db2.gz FEARIFLZFUSRGE-BRWVUGGUSA-N 1 1 337.464 0.367 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC001046032223 766704515 /nfs/dbraw/zinc/70/45/15/766704515.db2.gz GDKWWENCDFAJKF-IAGOWNOFSA-N 1 1 348.491 0.648 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)ccn2C)C1 ZINC000994752870 766704859 /nfs/dbraw/zinc/70/48/59/766704859.db2.gz WEOIRHAMHGAFGP-HNNXBMFYSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)ccn2C)C1 ZINC000994752870 766704864 /nfs/dbraw/zinc/70/48/64/766704864.db2.gz WEOIRHAMHGAFGP-HNNXBMFYSA-N 1 1 328.416 0.372 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033203 766708233 /nfs/dbraw/zinc/70/82/33/766708233.db2.gz AXABPXNAMDQBJM-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC000994754948 766709488 /nfs/dbraw/zinc/70/94/88/766709488.db2.gz OZOIQXJVFBSVOE-ULQDDVLXSA-N 1 1 347.459 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC000994754948 766709496 /nfs/dbraw/zinc/70/94/96/766709496.db2.gz OZOIQXJVFBSVOE-ULQDDVLXSA-N 1 1 347.459 0.472 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ccnn3C)CC2)C1 ZINC001046033532 766710352 /nfs/dbraw/zinc/71/03/52/766710352.db2.gz GYHXYSHNBGKVJT-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046035380 766719209 /nfs/dbraw/zinc/71/92/09/766719209.db2.gz KNYVZYGQLQNICL-DLBZAZTESA-N 1 1 346.475 0.145 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046035383 766719857 /nfs/dbraw/zinc/71/98/57/766719857.db2.gz KNYVZYGQLQNICL-SJORKVTESA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC23CCOCC3)C1 ZINC000994755985 766721636 /nfs/dbraw/zinc/72/16/36/766721636.db2.gz STODSWQIHXOKSQ-HOTGVXAUSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC23CCOCC3)C1 ZINC000994755985 766721641 /nfs/dbraw/zinc/72/16/41/766721641.db2.gz STODSWQIHXOKSQ-HOTGVXAUSA-N 1 1 345.443 0.228 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(CNC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001031715710 766726547 /nfs/dbraw/zinc/72/65/47/766726547.db2.gz YNQXZBMMJHCSQY-IAGOWNOFSA-N 1 1 348.491 0.696 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2occc2C)C1 ZINC000994756280 766726599 /nfs/dbraw/zinc/72/65/99/766726599.db2.gz WPEWKYCLAIRALX-HNNXBMFYSA-N 1 1 329.400 0.555 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2occc2C)C1 ZINC000994756280 766726603 /nfs/dbraw/zinc/72/66/03/766726603.db2.gz WPEWKYCLAIRALX-HNNXBMFYSA-N 1 1 329.400 0.555 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccc(F)cn2)C1 ZINC000994756289 766727024 /nfs/dbraw/zinc/72/70/24/766727024.db2.gz WTNNCYJETAUIER-INIZCTEOSA-N 1 1 344.390 0.188 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccc(F)cn2)C1 ZINC000994756289 766727033 /nfs/dbraw/zinc/72/70/33/766727033.db2.gz WTNNCYJETAUIER-INIZCTEOSA-N 1 1 344.390 0.188 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C(C)C)on2)C1 ZINC000994756935 766731864 /nfs/dbraw/zinc/73/18/64/766731864.db2.gz ZKFBJUNYMHFDGX-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C(C)C)on2)C1 ZINC000994756935 766731868 /nfs/dbraw/zinc/73/18/68/766731868.db2.gz ZKFBJUNYMHFDGX-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cn(C)nc3C)CC2)C1 ZINC001046037187 766732477 /nfs/dbraw/zinc/73/24/77/766732477.db2.gz VFESUXBBXFJOQR-QGZVFWFLSA-N 1 1 329.448 0.123 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4[nH]ccc4c3)CC2)C1 ZINC001046037221 766732741 /nfs/dbraw/zinc/73/27/41/766732741.db2.gz MNKAWVXHRAITAW-QGZVFWFLSA-N 1 1 337.427 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046037937 766736482 /nfs/dbraw/zinc/73/64/82/766736482.db2.gz CJJVNJMYWWXLCW-LPHOPBHVSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046037936 766737220 /nfs/dbraw/zinc/73/72/20/766737220.db2.gz CJJVNJMYWWXLCW-APWZRJJASA-N 1 1 346.475 0.145 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC001046038444 766738303 /nfs/dbraw/zinc/73/83/03/766738303.db2.gz DNLDMXJFXWRBDZ-OAHLLOKOSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC001046038491 766738398 /nfs/dbraw/zinc/73/83/98/766738398.db2.gz DYRZHIBJQQSOLH-INIZCTEOSA-N 1 1 330.432 0.403 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4nccn4C3)CC2)C1 ZINC001046040219 766744908 /nfs/dbraw/zinc/74/49/08/766744908.db2.gz HFFLBDQPGAOKPW-DLBZAZTESA-N 1 1 341.459 0.297 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046040480 766748158 /nfs/dbraw/zinc/74/81/58/766748158.db2.gz JSIJLVBGWNINQA-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2C)C1 ZINC001041999151 782577154 /nfs/dbraw/zinc/57/71/54/782577154.db2.gz SPFBUCNUWKKDRM-UNEWFSDZSA-N 1 1 343.431 0.615 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2C)C1 ZINC001041999151 782577160 /nfs/dbraw/zinc/57/71/60/782577160.db2.gz SPFBUCNUWKKDRM-UNEWFSDZSA-N 1 1 343.431 0.615 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2N(CC(=O)NC)CC3)CC1 ZINC000992513494 766752919 /nfs/dbraw/zinc/75/29/19/766752919.db2.gz VVMRNEDXQGXNIY-QFBILLFUSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)nnc3CC)CC2)C1 ZINC001046041976 766753983 /nfs/dbraw/zinc/75/39/83/766753983.db2.gz VVTKGSUVCZTMNZ-INIZCTEOSA-N 1 1 341.459 0.813 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4c3OCCC4)CC2)C1 ZINC001046042073 766755266 /nfs/dbraw/zinc/75/52/66/766755266.db2.gz RROPOHZHOLPWGY-OAHLLOKOSA-N 1 1 343.431 0.131 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2N([C@H](C)C(N)=O)CC3)CC1 ZINC000992515624 766755605 /nfs/dbraw/zinc/75/56/05/766755605.db2.gz ZGXWTSDJSBBIKM-ALKREAHSSA-N 1 1 346.475 0.319 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccon3)CC2)C1 ZINC001046043328 766761056 /nfs/dbraw/zinc/76/10/56/766761056.db2.gz CBGFIJBMMWUFTK-QGZVFWFLSA-N 1 1 330.432 0.849 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)C1 ZINC001046043621 766761886 /nfs/dbraw/zinc/76/18/86/766761886.db2.gz BNUYRUWCTDHVOO-OAHLLOKOSA-N 1 1 343.431 0.131 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)C1 ZINC001046043900 766763569 /nfs/dbraw/zinc/76/35/69/766763569.db2.gz MQEHCHPFGQPLFT-GBESFXJTSA-N 1 1 345.487 0.901 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001046044200 766766570 /nfs/dbraw/zinc/76/65/70/766766570.db2.gz KACIZBNZWIBTPZ-ZDUSSCGKSA-N 1 1 332.404 0.397 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC001046044185 766766579 /nfs/dbraw/zinc/76/65/79/766766579.db2.gz JPWNKOHZOXUAIC-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)n(C)n3)CC2)C1 ZINC001046044652 766767868 /nfs/dbraw/zinc/76/78/68/766767868.db2.gz NRYLGPAUCFEVQU-HNNXBMFYSA-N 1 1 345.447 0.284 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC001046046847 766776111 /nfs/dbraw/zinc/77/61/11/766776111.db2.gz GAJXPYCEPPTJOF-KRWDZBQOSA-N 1 1 346.479 0.635 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)nnc3C)CC2)C1 ZINC001046047021 766776254 /nfs/dbraw/zinc/77/62/54/766776254.db2.gz HCIZDZJGLPZGIB-QGZVFWFLSA-N 1 1 341.459 0.813 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncc(C)c3)CC2)C1 ZINC001046047195 766777962 /nfs/dbraw/zinc/77/79/62/766777962.db2.gz MAYOSEFMXKBEMQ-GOSISDBHSA-N 1 1 326.444 0.784 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001046047846 766778920 /nfs/dbraw/zinc/77/89/20/766778920.db2.gz YZXPVPTTZKCJJQ-QKDSSNGWSA-N 1 1 343.471 0.652 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001046049302 766783055 /nfs/dbraw/zinc/78/30/55/766783055.db2.gz NAZLKSUKOYIQLI-MRXNPFEDSA-N 1 1 346.479 0.709 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001046049159 766783121 /nfs/dbraw/zinc/78/31/21/766783121.db2.gz LDEOHOCEDBWINF-LSDHHAIUSA-N 1 1 336.480 0.552 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@H]12 ZINC000992532153 766787371 /nfs/dbraw/zinc/78/73/71/766787371.db2.gz WSRIGVSHDDJUEO-BBRMVZONSA-N 1 1 332.408 0.066 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](C[C@@H](C)O)C3)CC2)cc1 ZINC001046051256 766790532 /nfs/dbraw/zinc/79/05/32/766790532.db2.gz ZXPZXLFDKTZXQA-APWZRJJASA-N 1 1 341.455 0.881 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cn(CC(=O)N(C)C)nn3)CCC[C@@H]12 ZINC000992531238 766793697 /nfs/dbraw/zinc/79/36/97/766793697.db2.gz UUEVZVTYRVYOMK-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ncccc3F)CC2)C1 ZINC001046054757 766803230 /nfs/dbraw/zinc/80/32/30/766803230.db2.gz PJJJKNYWNSECSI-HNNXBMFYSA-N 1 1 330.407 0.615 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046055777 766808690 /nfs/dbraw/zinc/80/86/90/766808690.db2.gz QOUYSPVKUAJCJR-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC001046060932 766828456 /nfs/dbraw/zinc/82/84/56/766828456.db2.gz FYARHZIQESWDMP-MRXNPFEDSA-N 1 1 344.459 0.794 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC#CC)C2)CC1 ZINC001046064917 766847155 /nfs/dbraw/zinc/84/71/55/766847155.db2.gz AXFSIOVACFADET-KURKYZTESA-N 1 1 331.460 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nc(C)ncc3Cl)CC2)C1 ZINC001046068054 766860498 /nfs/dbraw/zinc/86/04/98/766860498.db2.gz BTCZDCASYSSASL-AWEZNQCLSA-N 1 1 347.850 0.904 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ccc(C)cc3=O)CC2)C1 ZINC001046069391 766867332 /nfs/dbraw/zinc/86/73/32/766867332.db2.gz FRVHEYIBRAAHHQ-KRWDZBQOSA-N 1 1 344.459 0.561 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc4cccnn34)CC2)C1 ZINC001046069486 766869665 /nfs/dbraw/zinc/86/96/65/766869665.db2.gz GQNPODCEAPCCMA-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccn4ccnc34)CC2)C1 ZINC001046070626 766874523 /nfs/dbraw/zinc/87/45/23/766874523.db2.gz XUTODHXEFUJJCC-MRXNPFEDSA-N 1 1 337.427 0.800 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCN([C@H]3CC[N@@H+](CC=C)C3)CC2)nn1 ZINC001046070645 766875396 /nfs/dbraw/zinc/87/53/96/766875396.db2.gz YKBFQUQPYCPLCV-INIZCTEOSA-N 1 1 344.463 0.872 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3nccc3C)CC2)C1 ZINC001046071478 766878959 /nfs/dbraw/zinc/87/89/59/766878959.db2.gz XGMPDPNJYDFMCB-QGZVFWFLSA-N 1 1 331.464 0.986 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001016767082 766882974 /nfs/dbraw/zinc/88/29/74/766882974.db2.gz WGRUVHZAOHTROP-LRVUVFPRSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C(F)F)c3)CC2)C1 ZINC001046074613 766891546 /nfs/dbraw/zinc/89/15/46/766891546.db2.gz CHPLUGRGAZEXDX-AWEZNQCLSA-N 1 1 337.374 0.744 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3coc(COC)n3)CC2)C1 ZINC001046075514 766897145 /nfs/dbraw/zinc/89/71/45/766897145.db2.gz VKKUGTFSCHAORG-AWEZNQCLSA-N 1 1 334.420 0.839 20 30 ECEDMO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001089653444 766897185 /nfs/dbraw/zinc/89/71/85/766897185.db2.gz DGGBIPYTAVOTRU-HIFRSBDPSA-N 1 1 346.435 0.400 20 30 ECEDMO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001089653444 766897199 /nfs/dbraw/zinc/89/71/99/766897199.db2.gz DGGBIPYTAVOTRU-HIFRSBDPSA-N 1 1 346.435 0.400 20 30 ECEDMO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001089653445 766897260 /nfs/dbraw/zinc/89/72/60/766897260.db2.gz DGGBIPYTAVOTRU-UKRRQHHQSA-N 1 1 346.435 0.400 20 30 ECEDMO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001089653445 766897275 /nfs/dbraw/zinc/89/72/75/766897275.db2.gz DGGBIPYTAVOTRU-UKRRQHHQSA-N 1 1 346.435 0.400 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(OC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000994821986 766897470 /nfs/dbraw/zinc/89/74/70/766897470.db2.gz LUTMHNDFOMRHCG-KGLIPLIRSA-N 1 1 348.447 0.316 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CCC)nn3)CC2)C1 ZINC001046075991 766900754 /nfs/dbraw/zinc/90/07/54/766900754.db2.gz ZKXWBYOPUYKANK-MRXNPFEDSA-N 1 1 344.463 0.544 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046078352 766910989 /nfs/dbraw/zinc/91/09/89/766910989.db2.gz LCMHFPIGIWUANS-CVEARBPZSA-N 1 1 334.464 0.450 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC001046080167 766915449 /nfs/dbraw/zinc/91/54/49/766915449.db2.gz AZOCCTXHHDSBLQ-HNNXBMFYSA-N 1 1 345.447 0.284 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046081521 766919265 /nfs/dbraw/zinc/91/92/65/766919265.db2.gz MAVJLHGAXYNXAR-DLBZAZTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 ZINC001046083568 766923549 /nfs/dbraw/zinc/92/35/49/766923549.db2.gz UGQSWOZTHVPNLJ-MRXNPFEDSA-N 1 1 328.416 0.643 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCn3cc(C)cn3)CC2)C1 ZINC001046086176 766928180 /nfs/dbraw/zinc/92/81/80/766928180.db2.gz MSZMILCPNHTJQD-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC001046086513 766928462 /nfs/dbraw/zinc/92/84/62/766928462.db2.gz JJKGJGFIXNTHEL-QZTJIDSGSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC001046086891 766929759 /nfs/dbraw/zinc/92/97/59/766929759.db2.gz QVVSPTKNNIUCKT-DOTOQJQBSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(OCC)cn3)CC2)C1 ZINC001046089950 766932055 /nfs/dbraw/zinc/93/20/55/766932055.db2.gz MDSNSGUPKUBXMO-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(C)nc1OC)CO2 ZINC001053823648 766944244 /nfs/dbraw/zinc/94/42/44/766944244.db2.gz PPCHSQNPIDCYID-CYBMUJFWSA-N 1 1 332.404 0.943 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3n[nH]nc3n1)CO2 ZINC001053824217 766946723 /nfs/dbraw/zinc/94/67/23/766946723.db2.gz WYJNHDLOULCMDS-GFCCVEGCSA-N 1 1 342.403 0.892 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C)on3)C2)C1=O ZINC001046122987 766951980 /nfs/dbraw/zinc/95/19/80/766951980.db2.gz LVZHIXSDRXNFCG-PBHICJAKSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C)on3)C2)C1=O ZINC001046122987 766951981 /nfs/dbraw/zinc/95/19/81/766951981.db2.gz LVZHIXSDRXNFCG-PBHICJAKSA-N 1 1 332.404 0.964 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(=O)n(C)cn1)CO2 ZINC001053835871 766977600 /nfs/dbraw/zinc/97/76/00/766977600.db2.gz AFAZMBLUZBQXJR-ZDUSSCGKSA-N 1 1 332.404 0.320 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2cnc(C)cn2)C1 ZINC001031740818 766987137 /nfs/dbraw/zinc/98/71/37/766987137.db2.gz KPFCTNZCACHVRQ-YJBOKZPZSA-N 1 1 341.459 0.992 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2cnc(C)cn2)C1 ZINC001031740818 766987140 /nfs/dbraw/zinc/98/71/40/766987140.db2.gz KPFCTNZCACHVRQ-YJBOKZPZSA-N 1 1 341.459 0.992 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nc(C)no2)C1 ZINC001031742407 766998586 /nfs/dbraw/zinc/99/85/86/766998586.db2.gz DXCZRCHSZRLEEY-WFASDCNBSA-N 1 1 331.420 0.585 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nc(C)no2)C1 ZINC001031742407 766998593 /nfs/dbraw/zinc/99/85/93/766998593.db2.gz DXCZRCHSZRLEEY-WFASDCNBSA-N 1 1 331.420 0.585 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)c1 ZINC001083708795 767029364 /nfs/dbraw/zinc/02/93/64/767029364.db2.gz LGZOQZSYVJBKRX-ALYAQQCSSA-N 1 1 327.384 0.112 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)c1 ZINC001083708795 767029372 /nfs/dbraw/zinc/02/93/72/767029372.db2.gz LGZOQZSYVJBKRX-ALYAQQCSSA-N 1 1 327.384 0.112 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)CO2 ZINC001053865262 767069947 /nfs/dbraw/zinc/06/99/47/767069947.db2.gz UZQLILDCGRKFTA-UONOGXRCSA-N 1 1 336.436 0.313 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3nnnn3c1)CO2 ZINC001053869897 767085487 /nfs/dbraw/zinc/08/54/87/767085487.db2.gz XBQGLIOCOJFVGT-CYBMUJFWSA-N 1 1 328.376 0.274 20 30 ECEDMO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001046220069 767086844 /nfs/dbraw/zinc/08/68/44/767086844.db2.gz HGZPWKXZGFROGD-YOEHRIQHSA-N 1 1 342.403 0.338 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC000938755858 767106573 /nfs/dbraw/zinc/10/65/73/767106573.db2.gz ASZJTDLGMYKQDJ-XHSDSOJGSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC000938755858 767106574 /nfs/dbraw/zinc/10/65/74/767106574.db2.gz ASZJTDLGMYKQDJ-XHSDSOJGSA-N 1 1 333.432 0.180 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)CC[N@H+]1C ZINC001106141610 767107273 /nfs/dbraw/zinc/10/72/73/767107273.db2.gz FJQZIHOROLRZNY-HRCADAONSA-N 1 1 331.420 0.573 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001089708425 767109181 /nfs/dbraw/zinc/10/91/81/767109181.db2.gz HGRSUQMFTWQCFN-UONOGXRCSA-N 1 1 343.493 0.813 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001089708422 767109247 /nfs/dbraw/zinc/10/92/47/767109247.db2.gz HGRSUQMFTWQCFN-KGLIPLIRSA-N 1 1 343.493 0.813 20 30 ECEDMO C=CCCN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875566 767111411 /nfs/dbraw/zinc/11/14/11/767111411.db2.gz GECKDKIOQHFSEE-BNQMIIOLSA-N 1 1 347.459 0.385 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001046269733 767118321 /nfs/dbraw/zinc/11/83/21/767118321.db2.gz PGMCETYBGYTGJK-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001046269733 767118323 /nfs/dbraw/zinc/11/83/23/767118323.db2.gz PGMCETYBGYTGJK-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nc(C)nn3C1)CO2 ZINC001053879391 767127687 /nfs/dbraw/zinc/12/76/87/767127687.db2.gz PLQLFCSUDRUIQM-HUUCEWRRSA-N 1 1 345.447 0.685 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046289241 767129817 /nfs/dbraw/zinc/12/98/17/767129817.db2.gz SXRBDRRWJODEER-RHSMWYFYSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046289241 767129819 /nfs/dbraw/zinc/12/98/19/767129819.db2.gz SXRBDRRWJODEER-RHSMWYFYSA-N 1 1 346.362 0.886 20 30 ECEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001089733964 767134730 /nfs/dbraw/zinc/13/47/30/767134730.db2.gz DMZZJVUXAXLJCK-CYBMUJFWSA-N 1 1 348.451 0.560 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001046311789 767141085 /nfs/dbraw/zinc/14/10/85/767141085.db2.gz LOVVQXVTZLOCFJ-AWEZNQCLSA-N 1 1 335.448 0.517 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001046329559 767152114 /nfs/dbraw/zinc/15/21/14/767152114.db2.gz SPYKQBSJJSLAAE-SCRDCRAPSA-N 1 1 349.460 0.961 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001046329559 767152115 /nfs/dbraw/zinc/15/21/15/767152115.db2.gz SPYKQBSJJSLAAE-SCRDCRAPSA-N 1 1 349.460 0.961 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCC3(F)F)C2)C1=O ZINC001031758022 767159964 /nfs/dbraw/zinc/15/99/64/767159964.db2.gz MJRCJYGWSRCTBE-QWHCGFSZSA-N 1 1 327.375 0.867 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](OCC)C2CC2)[C@H](OC)C1 ZINC001212290074 767164668 /nfs/dbraw/zinc/16/46/68/767164668.db2.gz SVJAHUIXGHFYFQ-OAGGEKHMSA-N 1 1 326.437 0.820 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccnn2C)[C@H](OC)C1 ZINC001212295587 767180889 /nfs/dbraw/zinc/18/08/89/767180889.db2.gz YTHGFQSMODZREO-SQWLQELKSA-N 1 1 336.436 0.542 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C)c1C ZINC001089790503 767184313 /nfs/dbraw/zinc/18/43/13/767184313.db2.gz SDUGMACUXIRUIG-FZKCQIBNSA-N 1 1 327.432 0.929 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001046393434 767192231 /nfs/dbraw/zinc/19/22/31/767192231.db2.gz WWLGTAUSHROKAE-LXZKKBNFSA-N 1 1 343.431 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001046393434 767192233 /nfs/dbraw/zinc/19/22/33/767192233.db2.gz WWLGTAUSHROKAE-LXZKKBNFSA-N 1 1 343.431 0.403 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001212316481 767207647 /nfs/dbraw/zinc/20/76/47/767207647.db2.gz QWWSTWODMKVGHY-BPLDGKMQSA-N 1 1 333.388 0.237 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnn(C)c1N ZINC001089798469 767223042 /nfs/dbraw/zinc/22/30/42/767223042.db2.gz TVROTXFGXAVXET-XZDPQHSOSA-N 1 1 327.432 0.808 20 30 ECEDMO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@@H]1CCC(=O)NC1 ZINC001031803914 767240149 /nfs/dbraw/zinc/24/01/49/767240149.db2.gz OIDHYTYLVZPJLV-QGZVFWFLSA-N 1 1 325.412 0.612 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1OC ZINC001212337612 767254121 /nfs/dbraw/zinc/25/41/21/767254121.db2.gz WSZHRJNJOVXPKW-YNEHKIRRSA-N 1 1 334.844 0.588 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046534793 767285167 /nfs/dbraw/zinc/28/51/67/767285167.db2.gz ADFIPJBPICQEBG-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046538542 767289243 /nfs/dbraw/zinc/28/92/43/767289243.db2.gz KPVPUDLPXMDQQR-MAUKXSAKSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046538542 767289244 /nfs/dbraw/zinc/28/92/44/767289244.db2.gz KPVPUDLPXMDQQR-MAUKXSAKSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc(C2CC2)nn1 ZINC001089818380 767293963 /nfs/dbraw/zinc/29/39/63/767293963.db2.gz ADQQGLHFKUMHAM-CUSZFKRNSA-N 1 1 339.443 0.958 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2n[nH]nc2n1 ZINC001089818610 767296449 /nfs/dbraw/zinc/29/64/49/767296449.db2.gz WJEWMXHJDWRBBA-ZWUHOBOKSA-N 1 1 336.399 0.769 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccncc2C#N)C1 ZINC001046576104 767321124 /nfs/dbraw/zinc/32/11/24/767321124.db2.gz IOWXDFJFHSBEHB-LUYZLQTOSA-N 1 1 327.432 0.880 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046589288 767340926 /nfs/dbraw/zinc/34/09/26/767340926.db2.gz UONVCHOHEVSHFP-YOEHRIQHSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046589288 767340931 /nfs/dbraw/zinc/34/09/31/767340931.db2.gz UONVCHOHEVSHFP-YOEHRIQHSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046588885 767340940 /nfs/dbraw/zinc/34/09/40/767340940.db2.gz SKMZCDPUYIYRBI-MAUKXSAKSA-N 1 1 344.390 0.439 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046588885 767340944 /nfs/dbraw/zinc/34/09/44/767340944.db2.gz SKMZCDPUYIYRBI-MAUKXSAKSA-N 1 1 344.390 0.439 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046589474 767341482 /nfs/dbraw/zinc/34/14/82/767341482.db2.gz VTYFOHCTBMYTQJ-MAUKXSAKSA-N 1 1 326.400 0.300 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046589474 767341486 /nfs/dbraw/zinc/34/14/86/767341486.db2.gz VTYFOHCTBMYTQJ-MAUKXSAKSA-N 1 1 326.400 0.300 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046589840 767342099 /nfs/dbraw/zinc/34/20/99/767342099.db2.gz YIGBPVZPDLCQIX-YOEHRIQHSA-N 1 1 327.388 0.320 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCCC(=O)N1)CO2 ZINC001053921139 767362739 /nfs/dbraw/zinc/36/27/39/767362739.db2.gz BDSFJDBUENZVDU-CABCVRRESA-N 1 1 335.448 0.971 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001106147499 767372595 /nfs/dbraw/zinc/37/25/95/767372595.db2.gz PSAUZGPVFKTUEQ-KGLIPLIRSA-N 1 1 332.408 0.112 20 30 ECEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001046618295 767373146 /nfs/dbraw/zinc/37/31/46/767373146.db2.gz DXAJLKXKTUCIAO-DAYGRLMNSA-N 1 1 335.448 0.923 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(N)=O)[nH]1)CO2 ZINC001053927115 767385021 /nfs/dbraw/zinc/38/50/21/767385021.db2.gz SEVOMOFTEOQKGK-LBPRGKRZSA-N 1 1 332.404 0.653 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046628738 767395842 /nfs/dbraw/zinc/39/58/42/767395842.db2.gz PDBKIYXLUWXKEH-RVKKMQEKSA-N 1 1 326.400 0.760 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046628738 767395854 /nfs/dbraw/zinc/39/58/54/767395854.db2.gz PDBKIYXLUWXKEH-RVKKMQEKSA-N 1 1 326.400 0.760 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CCC[C@H]3C)C2)CCC1 ZINC001046672345 767453696 /nfs/dbraw/zinc/45/36/96/767453696.db2.gz RMOANZDOHKCTJS-OAHLLOKOSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001046681907 767472429 /nfs/dbraw/zinc/47/24/29/767472429.db2.gz VALDJPCRKLIZPN-INIZCTEOSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001046681907 767472435 /nfs/dbraw/zinc/47/24/35/767472435.db2.gz VALDJPCRKLIZPN-INIZCTEOSA-N 1 1 329.408 0.592 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(N)=O)c[nH]1)CO2 ZINC001053966689 767480293 /nfs/dbraw/zinc/48/02/93/767480293.db2.gz IHRGGGKRPZVUNR-ZDUSSCGKSA-N 1 1 332.404 0.653 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001046690162 767487066 /nfs/dbraw/zinc/48/70/66/767487066.db2.gz AJMIULDRAIMHKE-ZBFHGGJFSA-N 1 1 349.475 0.620 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046690191 767487096 /nfs/dbraw/zinc/48/70/96/767487096.db2.gz BDLAQIPPNJMKFN-JKSUJKDBSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001046692049 767491742 /nfs/dbraw/zinc/49/17/42/767491742.db2.gz OCXXVKMRKQTETJ-LSDHHAIUSA-N 1 1 349.475 0.620 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn([C@H]3CCOC3)nn1)CO2 ZINC001053976522 767507428 /nfs/dbraw/zinc/50/74/28/767507428.db2.gz GQVRHFOORLNPFV-KGLIPLIRSA-N 1 1 347.419 0.389 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccncn3)C2)C1=O ZINC001046709975 767523756 /nfs/dbraw/zinc/52/37/56/767523756.db2.gz SMJQSICXNJJDOZ-WMLDXEAASA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccncn3)C2)C1=O ZINC001046709975 767523764 /nfs/dbraw/zinc/52/37/64/767523764.db2.gz SMJQSICXNJJDOZ-WMLDXEAASA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(N(C)C)nn1)CO2 ZINC001053985689 767535953 /nfs/dbraw/zinc/53/59/53/767535953.db2.gz WRSPZJSXMAFYFD-ZDUSSCGKSA-N 1 1 331.420 0.692 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046752714 767589563 /nfs/dbraw/zinc/58/95/63/767589563.db2.gz IYNCFWMZDSULQC-DAXOMENPSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046752714 767589568 /nfs/dbraw/zinc/58/95/68/767589568.db2.gz IYNCFWMZDSULQC-DAXOMENPSA-N 1 1 329.404 0.591 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001017105940 767593366 /nfs/dbraw/zinc/59/33/66/767593366.db2.gz DARVPSYVBYIIQZ-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc3nsnc32)C1 ZINC001078299854 782637704 /nfs/dbraw/zinc/63/77/04/782637704.db2.gz LDLBVHCUXGZIMN-ZIAGYGMSSA-N 1 1 332.429 0.971 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001046756967 767597982 /nfs/dbraw/zinc/59/79/82/767597982.db2.gz BRCSJOBSYGVXIW-KRWDZBQOSA-N 1 1 331.420 0.847 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)C#CC2CC2)C1)[C@H]1CCC(=O)NC1=O ZINC001017127326 767629493 /nfs/dbraw/zinc/62/94/93/767629493.db2.gz NGJUFRQHDYYCPO-GJZGRUSLSA-N 1 1 331.416 0.375 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054048989 767648047 /nfs/dbraw/zinc/64/80/47/767648047.db2.gz NQCMACLZVPRTOP-HZPDHXFCSA-N 1 1 328.416 0.739 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054048989 767648052 /nfs/dbraw/zinc/64/80/52/767648052.db2.gz NQCMACLZVPRTOP-HZPDHXFCSA-N 1 1 328.416 0.739 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001054051245 767651579 /nfs/dbraw/zinc/65/15/79/767651579.db2.gz YPSPCIBDBINCPX-INIZCTEOSA-N 1 1 336.395 0.950 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001060476439 767688333 /nfs/dbraw/zinc/68/83/33/767688333.db2.gz OMEYWLPQZRWHNP-GGAZOKNXSA-N 1 1 326.404 0.097 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)[nH]1 ZINC001054115570 767703564 /nfs/dbraw/zinc/70/35/64/767703564.db2.gz BBRHTCDFVKDBBZ-QAPCUYQASA-N 1 1 341.415 0.703 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)N1C(=O)CCC1=O)C2 ZINC001054142027 767736239 /nfs/dbraw/zinc/73/62/39/767736239.db2.gz UTWFHFKSABWOGB-KXBFYZLASA-N 1 1 345.443 0.862 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001054146618 767741342 /nfs/dbraw/zinc/74/13/42/767741342.db2.gz OCFFHDFDTTXBIT-KSSFIOAISA-N 1 1 348.447 0.865 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCOCC1=O)C2 ZINC001054146886 767742241 /nfs/dbraw/zinc/74/22/41/767742241.db2.gz TYSZCGAMAOSIIM-SFHVURJKSA-N 1 1 335.448 0.736 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001054155474 767751407 /nfs/dbraw/zinc/75/14/07/767751407.db2.gz RTAJDWCZJPNOET-SFHVURJKSA-N 1 1 334.464 0.261 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCCNC1=O)C2 ZINC001054157762 767753186 /nfs/dbraw/zinc/75/31/86/767753186.db2.gz YLJDXQQJAQGUSD-SFHVURJKSA-N 1 1 332.448 0.740 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN(C(N)=O)C1)C2 ZINC001054162043 767760755 /nfs/dbraw/zinc/76/07/55/767760755.db2.gz VWGQRCCAPCIKND-CRAIPNDOSA-N 1 1 332.448 0.725 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN(C(N)=O)C1)C2 ZINC001054162046 767760829 /nfs/dbraw/zinc/76/08/29/767760829.db2.gz VWGQRCCAPCIKND-YJBOKZPZSA-N 1 1 332.448 0.725 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1Cc3cncn3C(=O)N1)C2 ZINC001054168667 767765132 /nfs/dbraw/zinc/76/51/32/767765132.db2.gz GEIZDMUFIFGGTQ-MAUKXSAKSA-N 1 1 341.415 0.313 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)nc1 ZINC001017248400 767767777 /nfs/dbraw/zinc/76/77/77/767767777.db2.gz KWPHTSZUWIWSHP-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3nnn(C)c3C1)C2 ZINC001054184277 767781572 /nfs/dbraw/zinc/78/15/72/767781572.db2.gz BYMFKEYXTXFGPQ-KXBFYZLASA-N 1 1 341.459 0.868 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@]3(CC[N@H+](CCCO)C3)C2)nn1 ZINC001054210655 767806859 /nfs/dbraw/zinc/80/68/59/767806859.db2.gz UHTXOCKQDLLPPI-KRWDZBQOSA-N 1 1 333.436 0.775 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)[C@@H](O)C1 ZINC001083717914 767816710 /nfs/dbraw/zinc/81/67/10/767816710.db2.gz ULVZJAWEOUCTDQ-KFWWJZLASA-N 1 1 337.464 0.761 20 30 ECEDMO C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106642706 768545790 /nfs/dbraw/zinc/54/57/90/768545790.db2.gz PMUBWULPIVQKHI-YRGRVCCFSA-N 1 1 332.408 0.374 20 30 ECEDMO C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106642706 768545794 /nfs/dbraw/zinc/54/57/94/768545794.db2.gz PMUBWULPIVQKHI-YRGRVCCFSA-N 1 1 332.408 0.374 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N ZINC001055147475 768607827 /nfs/dbraw/zinc/60/78/27/768607827.db2.gz QRMCJWZEDLXOMI-IPYPFGDCSA-N 1 1 337.387 0.779 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)C1 ZINC001055197381 768658320 /nfs/dbraw/zinc/65/83/20/768658320.db2.gz YALKPSDZXREALL-OJLVUWQFSA-N 1 1 340.431 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccn1 ZINC001055240170 768695947 /nfs/dbraw/zinc/69/59/47/768695947.db2.gz SCFBXPGLXXTTPM-UGUYLWEFSA-N 1 1 325.416 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccn1 ZINC001055240170 768695952 /nfs/dbraw/zinc/69/59/52/768695952.db2.gz SCFBXPGLXXTTPM-UGUYLWEFSA-N 1 1 325.416 0.800 20 30 ECEDMO CCc1nc(C#N)cc(NCCN(CC)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001106709755 768696232 /nfs/dbraw/zinc/69/62/32/768696232.db2.gz DAOYAKNAPKNCTD-CQSZACIVSA-N 1 1 346.435 0.502 20 30 ECEDMO CCc1nc(C#N)cc(NCCN(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001106709755 768696237 /nfs/dbraw/zinc/69/62/37/768696237.db2.gz DAOYAKNAPKNCTD-CQSZACIVSA-N 1 1 346.435 0.502 20 30 ECEDMO CCN(CCNc1ncc(C#N)cc1F)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001106709825 768696697 /nfs/dbraw/zinc/69/66/97/768696697.db2.gz HVXQVQNWEJHQDI-CQSZACIVSA-N 1 1 335.383 0.683 20 30 ECEDMO CCN(CCNc1ncc(C#N)cc1F)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001106709825 768696701 /nfs/dbraw/zinc/69/67/01/768696701.db2.gz HVXQVQNWEJHQDI-CQSZACIVSA-N 1 1 335.383 0.683 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001055252237 768712232 /nfs/dbraw/zinc/71/22/32/768712232.db2.gz YYDKPULZVZJVRZ-XHSDSOJGSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@@H]2C1 ZINC001055312523 768767016 /nfs/dbraw/zinc/76/70/16/768767016.db2.gz JCYMXHKUKGLPEE-WCXIOVBPSA-N 1 1 331.460 0.904 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 ZINC001055339728 768796552 /nfs/dbraw/zinc/79/65/52/768796552.db2.gz IPLJIUGOXQEUKD-KFWWJZLASA-N 1 1 337.387 0.779 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001055378416 768834055 /nfs/dbraw/zinc/83/40/55/768834055.db2.gz IRPWKYVPIHWECP-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]21 ZINC001042063476 782702146 /nfs/dbraw/zinc/70/21/46/782702146.db2.gz XMVONEZHHWKZJG-KBPBESRZSA-N 1 1 331.416 0.328 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001106773230 768913956 /nfs/dbraw/zinc/91/39/56/768913956.db2.gz MPMSGDMOMLKRKV-MRXNPFEDSA-N 1 1 331.420 0.356 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001106773230 768913959 /nfs/dbraw/zinc/91/39/59/768913959.db2.gz MPMSGDMOMLKRKV-MRXNPFEDSA-N 1 1 331.420 0.356 20 30 ECEDMO C#CCOCCC(=O)NC1CC[NH+](CCNC(=O)C(C)(F)F)CC1 ZINC001055494452 768937552 /nfs/dbraw/zinc/93/75/52/768937552.db2.gz KJXBZCKZHFJFSU-UHFFFAOYSA-N 1 1 345.390 0.378 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001042066547 782707910 /nfs/dbraw/zinc/70/79/10/782707910.db2.gz HBXIQYAKZARDQU-KBPBESRZSA-N 1 1 330.436 0.988 20 30 ECEDMO CS[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055529291 769013999 /nfs/dbraw/zinc/01/39/99/769013999.db2.gz OSWQOKKSXOLUPB-ZDUSSCGKSA-N 1 1 337.489 0.848 20 30 ECEDMO Cc1ocnc1C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055536392 769044796 /nfs/dbraw/zinc/04/47/96/769044796.db2.gz VWMWZKQBAMZQIC-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO Cn1nccc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055540071 769059931 /nfs/dbraw/zinc/05/99/31/769059931.db2.gz UEETZVAFTQRKFV-UHFFFAOYSA-N 1 1 343.431 0.144 20 30 ECEDMO C=CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055541033 769064285 /nfs/dbraw/zinc/06/42/85/769064285.db2.gz WYHLQNMGSQMAHB-ZIAGYGMSSA-N 1 1 338.408 0.315 20 30 ECEDMO C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCOCC1)Nc1ccc(C#N)nn1 ZINC001089355004 769089123 /nfs/dbraw/zinc/08/91/23/769089123.db2.gz NRPNBSSHBQOTPB-KGLIPLIRSA-N 1 1 346.435 0.766 20 30 ECEDMO Cc1nscc1C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055562466 769120208 /nfs/dbraw/zinc/12/02/08/769120208.db2.gz AUZFBEBRXGKHIJ-LLVKDONJSA-N 1 1 349.460 0.922 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055575329 769162165 /nfs/dbraw/zinc/16/21/65/769162165.db2.gz SCDLFJBHTBYCRB-UHFFFAOYSA-N 1 1 327.428 0.510 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C(F)F)C2)CC1 ZINC001018359485 769189459 /nfs/dbraw/zinc/18/94/59/769189459.db2.gz HNZPROMKZNWOAB-CYBMUJFWSA-N 1 1 327.375 0.658 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000993518900 769216322 /nfs/dbraw/zinc/21/63/22/769216322.db2.gz JIHLMMRVZKXHJX-WCQYABFASA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000993518900 769216329 /nfs/dbraw/zinc/21/63/29/769216329.db2.gz JIHLMMRVZKXHJX-WCQYABFASA-N 1 1 339.417 0.533 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055602153 769234315 /nfs/dbraw/zinc/23/43/15/769234315.db2.gz RIJMQELSNKTSLS-CABCVRRESA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055602153 769234326 /nfs/dbraw/zinc/23/43/26/769234326.db2.gz RIJMQELSNKTSLS-CABCVRRESA-N 1 1 349.479 0.185 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2ncccn2)CC1 ZINC001055623430 769283545 /nfs/dbraw/zinc/28/35/45/769283545.db2.gz HFNVMXQJUDMPCR-UHFFFAOYSA-N 1 1 341.415 0.200 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001055632452 769306276 /nfs/dbraw/zinc/30/62/76/769306276.db2.gz VKIZDRZYJQYIFA-HOCLYGCPSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001055632452 769306285 /nfs/dbraw/zinc/30/62/85/769306285.db2.gz VKIZDRZYJQYIFA-HOCLYGCPSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000993687598 769483642 /nfs/dbraw/zinc/48/36/42/769483642.db2.gz MRMDKNBXRAETCL-IUODEOHRSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993687598 769483650 /nfs/dbraw/zinc/48/36/50/769483650.db2.gz MRMDKNBXRAETCL-IUODEOHRSA-N 1 1 339.403 0.865 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@@H]1C ZINC000993700466 769533953 /nfs/dbraw/zinc/53/39/53/769533953.db2.gz CDJLCGQRKPOGLW-JSGCOSHPSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ccc[nH]2)[C@H](C)C1 ZINC000993751096 769554177 /nfs/dbraw/zinc/55/41/77/769554177.db2.gz FAIXVFNDFKPTBK-INMHGKMJSA-N 1 1 342.443 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ccc[nH]2)[C@H](C)C1 ZINC000993751096 769554184 /nfs/dbraw/zinc/55/41/84/769554184.db2.gz FAIXVFNDFKPTBK-INMHGKMJSA-N 1 1 342.443 0.937 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001078358290 782767397 /nfs/dbraw/zinc/76/73/97/782767397.db2.gz NCUTUJKHYGSVQT-STQMWFEESA-N 1 1 348.451 0.969 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042103102 782772232 /nfs/dbraw/zinc/77/22/32/782772232.db2.gz AVMLUGZJEQSKCF-LBPRGKRZSA-N 1 1 343.855 0.549 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042104522 782777879 /nfs/dbraw/zinc/77/78/79/782777879.db2.gz PWMAMPLSAOBCLC-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC000993882397 769782315 /nfs/dbraw/zinc/78/23/15/769782315.db2.gz JNPQYSSFRWUEMX-HNNXBMFYSA-N 1 1 346.435 0.279 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001007156755 769802409 /nfs/dbraw/zinc/80/24/09/769802409.db2.gz PELYVJWPULNGIL-HNNXBMFYSA-N 1 1 341.419 0.989 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)nc1 ZINC000993956002 769887034 /nfs/dbraw/zinc/88/70/34/769887034.db2.gz WLYNUIZJSNJWRT-MRXNPFEDSA-N 1 1 349.394 0.778 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055838810 769923275 /nfs/dbraw/zinc/92/32/75/769923275.db2.gz VXRLBZDJVDUXLO-APWZRJJASA-N 1 1 349.475 0.744 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001055839024 769924066 /nfs/dbraw/zinc/92/40/66/769924066.db2.gz YPZHJXKFVFYVTR-CRAIPNDOSA-N 1 1 335.448 0.210 20 30 ECEDMO C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCOCC1)Nc1ccnc(C#N)n1 ZINC001089356255 769936439 /nfs/dbraw/zinc/93/64/39/769936439.db2.gz WFZLSIFAGWHUHS-KGLIPLIRSA-N 1 1 346.435 0.188 20 30 ECEDMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCCO2)n1 ZINC001078368960 782792797 /nfs/dbraw/zinc/79/27/97/782792797.db2.gz FIGPAHYFBAIADE-AWEZNQCLSA-N 1 1 343.391 0.036 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H]1C ZINC000994010062 770004478 /nfs/dbraw/zinc/00/44/78/770004478.db2.gz RQHDFXNXXTVIBV-ZFWWWQNUSA-N 1 1 341.415 0.937 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]([NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC001018826326 770015139 /nfs/dbraw/zinc/01/51/39/770015139.db2.gz CKVUPNDSMOTVJA-ZDUSSCGKSA-N 1 1 338.371 0.631 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994028153 770042847 /nfs/dbraw/zinc/04/28/47/770042847.db2.gz DRWCMHNUJYQXDS-MGPQQGTHSA-N 1 1 343.431 0.662 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C[C@@H]21 ZINC001042122036 782806889 /nfs/dbraw/zinc/80/68/89/782806889.db2.gz LCVMZRLPOLQBBM-RISCZKNCSA-N 1 1 325.372 0.833 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055911378 770182784 /nfs/dbraw/zinc/18/27/84/770182784.db2.gz ZHRKXRQTIOYWIP-MAUKXSAKSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C ZINC000994179221 770265092 /nfs/dbraw/zinc/26/50/92/770265092.db2.gz OLBAIDWANZRRCG-CABCVRRESA-N 1 1 347.463 0.926 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H]1C ZINC000994179228 770265538 /nfs/dbraw/zinc/26/55/38/770265538.db2.gz OLBAIDWANZRRCG-LSDHHAIUSA-N 1 1 347.463 0.926 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCCO2)[nH]1 ZINC001078384309 782821265 /nfs/dbraw/zinc/82/12/65/782821265.db2.gz SXUZEFAYXZUNRY-AWEZNQCLSA-N 1 1 343.391 0.334 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001055933402 770271386 /nfs/dbraw/zinc/27/13/86/770271386.db2.gz OXKCZNGEOYMPLU-VQIMIIECSA-N 1 1 349.475 0.600 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(NC(=O)C#CC(C)(C)C)C2)C1 ZINC001055939683 770296477 /nfs/dbraw/zinc/29/64/77/770296477.db2.gz FMSCJLZBCBPDAE-KXBFYZLASA-N 1 1 349.475 0.457 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)no1 ZINC001055945369 770312275 /nfs/dbraw/zinc/31/22/75/770312275.db2.gz JUYSTEKYZIKYME-UHFFFAOYSA-N 1 1 340.387 0.965 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001042138095 782836484 /nfs/dbraw/zinc/83/64/84/782836484.db2.gz KVWAYNCUJUBSJE-BBRMVZONSA-N 1 1 328.416 0.684 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)[C@@H]2C)cn1 ZINC000994252470 770440561 /nfs/dbraw/zinc/44/05/61/770440561.db2.gz PIMHJTKLZRGGQT-PBHICJAKSA-N 1 1 338.415 0.937 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001055988228 770465690 /nfs/dbraw/zinc/46/56/90/770465690.db2.gz ZGEGTNQORUFOMM-SFHVURJKSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2nnc(CC)o2)C1 ZINC001018986348 770486515 /nfs/dbraw/zinc/48/65/15/770486515.db2.gz ZJUFQDJCSVGUPZ-KKUMJFAQSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2nnc(CC)o2)C1 ZINC001018986348 770486524 /nfs/dbraw/zinc/48/65/24/770486524.db2.gz ZJUFQDJCSVGUPZ-KKUMJFAQSA-N 1 1 345.447 0.981 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001056017299 770563119 /nfs/dbraw/zinc/56/31/19/770563119.db2.gz JPNKOEYNAQBJEU-UHFFFAOYSA-N 1 1 328.420 0.729 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC000994335042 770634173 /nfs/dbraw/zinc/63/41/73/770634173.db2.gz GHBYQKIUTXGXOS-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H](C)C#N)C3)CC[N@H+]1C ZINC001019071240 770713683 /nfs/dbraw/zinc/71/36/83/770713683.db2.gz AMEADTHLRNUQMB-QLFBSQMISA-N 1 1 332.448 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(COC)ncn2)CC1 ZINC001056067615 770732486 /nfs/dbraw/zinc/73/24/86/770732486.db2.gz OMCNYEVIOSCTSL-INIZCTEOSA-N 1 1 343.431 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(COC)ncn2)CC1 ZINC001056067615 770732492 /nfs/dbraw/zinc/73/24/92/770732492.db2.gz OMCNYEVIOSCTSL-INIZCTEOSA-N 1 1 343.431 0.369 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)nnn4C)C[C@@H]21 ZINC001042156907 782867585 /nfs/dbraw/zinc/86/75/85/782867585.db2.gz XINXAZMURZFJEU-CJNGLKHVSA-N 1 1 338.415 0.923 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H](CNC(=O)C#CC3CC3)CC2)C1 ZINC001060700028 771014204 /nfs/dbraw/zinc/01/42/04/771014204.db2.gz QQWHTQRQXGJJBR-BRWVUGGUSA-N 1 1 347.459 0.522 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H](CNC(=O)C#CC3CC3)CC2)C1 ZINC001060700028 771014210 /nfs/dbraw/zinc/01/42/10/771014210.db2.gz QQWHTQRQXGJJBR-BRWVUGGUSA-N 1 1 347.459 0.522 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001060700231 771019996 /nfs/dbraw/zinc/01/99/96/771019996.db2.gz ZITUAWFRYFDGPS-TUVASFSCSA-N 1 1 336.436 0.268 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001060700231 771019999 /nfs/dbraw/zinc/01/99/99/771019999.db2.gz ZITUAWFRYFDGPS-TUVASFSCSA-N 1 1 336.436 0.268 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)CC(C)(C)C1 ZINC001089401413 771059341 /nfs/dbraw/zinc/05/93/41/771059341.db2.gz UMQNUYUDYMGJSI-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056305170 771098238 /nfs/dbraw/zinc/09/82/38/771098238.db2.gz BKUAYPMOXQTBKS-OWCLPIDISA-N 1 1 335.448 0.875 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)Nc1ccnc(C#N)n1 ZINC001089435131 771167729 /nfs/dbraw/zinc/16/77/29/771167729.db2.gz QOLZVBLQGHFYNJ-NWDGAFQWSA-N 1 1 327.392 0.671 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CC2CC(F)(F)C2)C1 ZINC000994575444 771167843 /nfs/dbraw/zinc/16/78/43/771167843.db2.gz ZEOOSIPEQFDMBM-AWEZNQCLSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CC2CC(F)(F)C2)C1 ZINC000994575444 771167846 /nfs/dbraw/zinc/16/78/46/771167846.db2.gz ZEOOSIPEQFDMBM-AWEZNQCLSA-N 1 1 339.386 0.846 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001056412744 771245235 /nfs/dbraw/zinc/24/52/35/771245235.db2.gz LWDRPOYPYGSLSU-TXPWEPMLSA-N 1 1 325.416 0.988 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001019407460 771261508 /nfs/dbraw/zinc/26/15/08/771261508.db2.gz BQVYHQALWLXHSE-ZNMIVQPWSA-N 1 1 345.447 0.974 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)CC[N@H+]1C ZINC001056444756 771276299 /nfs/dbraw/zinc/27/62/99/771276299.db2.gz MZYNCSWMTLQVNT-XJBGLIRHSA-N 1 1 325.416 0.844 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCOCCNc1ccc(C#N)nn1 ZINC001127471850 771299556 /nfs/dbraw/zinc/29/95/56/771299556.db2.gz AASWPPABGYTNJK-ZFWWWQNUSA-N 1 1 346.435 0.433 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)c(C)n3)C[C@H]21 ZINC001056467003 771304661 /nfs/dbraw/zinc/30/46/61/771304661.db2.gz JXGQSORBUAXZON-MJQMVNBJSA-N 1 1 349.438 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)c(C)n3)C[C@H]21 ZINC001056467003 771304664 /nfs/dbraw/zinc/30/46/64/771304664.db2.gz JXGQSORBUAXZON-MJQMVNBJSA-N 1 1 349.438 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C)n3)C[C@H]21 ZINC001056467471 771305279 /nfs/dbraw/zinc/30/52/79/771305279.db2.gz SGPYPZVJKOGDES-QSJFSLAZSA-N 1 1 325.416 0.433 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C)n3)C[C@H]21 ZINC001056467471 771305283 /nfs/dbraw/zinc/30/52/83/771305283.db2.gz SGPYPZVJKOGDES-QSJFSLAZSA-N 1 1 325.416 0.433 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001019456421 771315606 /nfs/dbraw/zinc/31/56/06/771315606.db2.gz OJJPXYIKIXUBAA-PMPSAXMXSA-N 1 1 347.459 0.733 20 30 ECEDMO C[C@H](C[C@@H](C)Nc1ccnc(C#N)n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001089496704 771345707 /nfs/dbraw/zinc/34/57/07/771345707.db2.gz SUEPUXNWIHZCQZ-CHWSQXEVSA-N 1 1 330.436 0.950 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001019487963 771351898 /nfs/dbraw/zinc/35/18/98/771351898.db2.gz KQGRHFJLZLCNBX-DZKIICNBSA-N 1 1 333.436 0.877 20 30 ECEDMO CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C#CC(C)C ZINC001212240919 771353153 /nfs/dbraw/zinc/35/31/53/771353153.db2.gz GEKXCOBDEGDKJP-MGPQQGTHSA-N 1 1 330.375 0.885 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C#CC(C)C ZINC001212240919 771353159 /nfs/dbraw/zinc/35/31/59/771353159.db2.gz GEKXCOBDEGDKJP-MGPQQGTHSA-N 1 1 330.375 0.885 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC001019498703 771366119 /nfs/dbraw/zinc/36/61/19/771366119.db2.gz NYQJZPFWCQZRAE-DZKIICNBSA-N 1 1 333.436 0.970 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001056559052 771380773 /nfs/dbraw/zinc/38/07/73/771380773.db2.gz ISRXKHSCKXGTOE-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO C[C@@H]1CCCCN1C(=O)C[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031603071 771388689 /nfs/dbraw/zinc/38/86/89/771388689.db2.gz GDJWPYVWPRIADV-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)CC(C)(C)C1 ZINC001089551036 771462788 /nfs/dbraw/zinc/46/27/88/771462788.db2.gz CKIZBTBCHLEULW-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001056648101 771466821 /nfs/dbraw/zinc/46/68/21/771466821.db2.gz GLKZEUKJSWRLFS-OCCSQVGLSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001056648101 771466824 /nfs/dbraw/zinc/46/68/24/771466824.db2.gz GLKZEUKJSWRLFS-OCCSQVGLSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001056648378 771467421 /nfs/dbraw/zinc/46/74/21/771467421.db2.gz SPMMXLMEKMIECB-ZBFHGGJFSA-N 1 1 329.404 0.109 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001056648378 771467426 /nfs/dbraw/zinc/46/74/26/771467426.db2.gz SPMMXLMEKMIECB-ZBFHGGJFSA-N 1 1 329.404 0.109 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC(C)(C)C1 ZINC001089553144 771468233 /nfs/dbraw/zinc/46/82/33/771468233.db2.gz HJBIQJGRZGCWJR-CQSZACIVSA-N 1 1 348.447 0.511 20 30 ECEDMO N#Cc1cnc(N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)c(F)c1 ZINC001056667039 771490446 /nfs/dbraw/zinc/49/04/46/771490446.db2.gz QRIISRWQDKCDRB-CQSZACIVSA-N 1 1 347.394 0.827 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)C2CCN(C(=O)CCC)CC2)C1=O ZINC001089571229 771535793 /nfs/dbraw/zinc/53/57/93/771535793.db2.gz ZFYVCZPVGTZHJJ-MRXNPFEDSA-N 1 1 337.464 0.859 20 30 ECEDMO Cn1oc(C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)cc1=O ZINC001031635043 771551213 /nfs/dbraw/zinc/55/12/13/771551213.db2.gz MIHALVFFKKUDJN-UHFFFAOYSA-N 1 1 326.356 0.712 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3C[C@@H]3C(F)F)C2)C1=O ZINC001031645724 771585894 /nfs/dbraw/zinc/58/58/94/771585894.db2.gz QCSCULCNXQMFKA-RWMBFGLXSA-N 1 1 327.375 0.723 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001019628949 771629808 /nfs/dbraw/zinc/62/98/08/771629808.db2.gz YSYZVYUUHTXHJC-ZDUSSCGKSA-N 1 1 342.403 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001019648268 771663689 /nfs/dbraw/zinc/66/36/89/771663689.db2.gz MOVYNDIRIMWYKH-QAETUUGQSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001019648268 771663692 /nfs/dbraw/zinc/66/36/92/771663692.db2.gz MOVYNDIRIMWYKH-QAETUUGQSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc(C)nc(OC)n2)C1 ZINC001056811009 771674141 /nfs/dbraw/zinc/67/41/41/771674141.db2.gz BWRROKOZMPQIRS-CABCVRRESA-N 1 1 343.431 0.904 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc(C)nc(OC)n2)C1 ZINC001056811009 771674143 /nfs/dbraw/zinc/67/41/43/771674143.db2.gz BWRROKOZMPQIRS-CABCVRRESA-N 1 1 343.431 0.904 20 30 ECEDMO Cc1ccc(C#N)c(N(C)[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056879847 771756807 /nfs/dbraw/zinc/75/68/07/771756807.db2.gz NWPCVTAHIRUGGU-HOTGVXAUSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1ccc(C#N)c(N(C)[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056879847 771756810 /nfs/dbraw/zinc/75/68/10/771756810.db2.gz NWPCVTAHIRUGGU-HOTGVXAUSA-N 1 1 343.431 0.629 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccc(C)o1 ZINC001056894094 771773786 /nfs/dbraw/zinc/77/37/86/771773786.db2.gz IUEWEORIOFGXFL-HNNXBMFYSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccc(C)o1 ZINC001056894094 771773789 /nfs/dbraw/zinc/77/37/89/771773789.db2.gz IUEWEORIOFGXFL-HNNXBMFYSA-N 1 1 347.415 0.236 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001078440715 782957289 /nfs/dbraw/zinc/95/72/89/782957289.db2.gz FTOCYTQMKMQHHW-CQSZACIVSA-N 1 1 348.451 0.927 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3nccnc3C#N)C2)C1 ZINC001056930762 771822431 /nfs/dbraw/zinc/82/24/31/771822431.db2.gz UCWLYHMYGXMDAK-HIFRSBDPSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3nccnc3C#N)C2)C1 ZINC001056930762 771822436 /nfs/dbraw/zinc/82/24/36/771822436.db2.gz UCWLYHMYGXMDAK-HIFRSBDPSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1ccncc1C#N)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056940635 771837685 /nfs/dbraw/zinc/83/76/85/771837685.db2.gz SSNXLNVJBJYZFF-MRXNPFEDSA-N 1 1 343.431 0.713 20 30 ECEDMO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001056941519 771839067 /nfs/dbraw/zinc/83/90/67/771839067.db2.gz BMWKLNIUEKDYRC-HIFRSBDPSA-N 1 1 328.420 0.727 20 30 ECEDMO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001057059489 772012731 /nfs/dbraw/zinc/01/27/31/772012731.db2.gz SWVPZLGMDIBEME-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001057066621 772028233 /nfs/dbraw/zinc/02/82/33/772028233.db2.gz VFAXTVPCVFLEBO-HUUCEWRRSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccccn2)[C@H]1C ZINC001020003099 772066579 /nfs/dbraw/zinc/06/65/79/772066579.db2.gz QKKGABOGJHFRKN-ZOBUZTSGSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccccn2)[C@H]1C ZINC001020003099 772066584 /nfs/dbraw/zinc/06/65/84/772066584.db2.gz QKKGABOGJHFRKN-ZOBUZTSGSA-N 1 1 340.427 0.898 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001020058393 772115009 /nfs/dbraw/zinc/11/50/09/772115009.db2.gz FOYCPSGLGMIGGF-JOCQHMNTSA-N 1 1 342.407 0.724 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057141929 772155497 /nfs/dbraw/zinc/15/54/97/772155497.db2.gz FQBWJKVLFDUPSD-UHFFFAOYSA-N 1 1 325.376 0.592 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001057146694 772165211 /nfs/dbraw/zinc/16/52/11/772165211.db2.gz JVQPGYGOXBGWMY-OAHLLOKOSA-N 1 1 344.419 0.108 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001057146694 772165213 /nfs/dbraw/zinc/16/52/13/772165213.db2.gz JVQPGYGOXBGWMY-OAHLLOKOSA-N 1 1 344.419 0.108 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001057172521 772212540 /nfs/dbraw/zinc/21/25/40/772212540.db2.gz HSNGHJDPJCOBMB-UHFFFAOYSA-N 1 1 338.408 0.253 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncnc2)[C@H]1C ZINC001020205259 772281235 /nfs/dbraw/zinc/28/12/35/772281235.db2.gz FMEPLGNLHPOIPY-BPUTZDHNSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncnc2)[C@H]1C ZINC001020205259 772281238 /nfs/dbraw/zinc/28/12/38/772281238.db2.gz FMEPLGNLHPOIPY-BPUTZDHNSA-N 1 1 341.415 0.293 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001057212562 772287256 /nfs/dbraw/zinc/28/72/56/772287256.db2.gz PYNFCUUNOMXMDB-YOEHRIQHSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001057390117 772558405 /nfs/dbraw/zinc/55/84/05/772558405.db2.gz OZSOHALAXAUQRH-MRXNPFEDSA-N 1 1 337.464 0.459 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001078476001 783024225 /nfs/dbraw/zinc/02/42/25/783024225.db2.gz GJYILDQEDPDDGI-ZFWWWQNUSA-N 1 1 348.447 0.968 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(Nc2nccnc2C#N)CC1 ZINC001057426729 772601807 /nfs/dbraw/zinc/60/18/07/772601807.db2.gz FVCQXTFWIGWKCZ-OCCSQVGLSA-N 1 1 328.420 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(Nc2cncc(C#N)n2)CC1 ZINC001057427417 772602826 /nfs/dbraw/zinc/60/28/26/772602826.db2.gz VPERCTJYENHHPD-IUODEOHRSA-N 1 1 328.420 0.949 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001057439364 772615472 /nfs/dbraw/zinc/61/54/72/772615472.db2.gz JPPHUNISIHMMOO-SFHVURJKSA-N 1 1 335.448 0.213 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001057444970 772621410 /nfs/dbraw/zinc/62/14/10/772621410.db2.gz AVNFKIITLCMFNZ-MRXNPFEDSA-N 1 1 337.464 0.600 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(Nc3cnc(C#N)cn3)CC2)O1 ZINC001057449785 772629436 /nfs/dbraw/zinc/62/94/36/772629436.db2.gz RQUMLAYBJWVVSV-IUODEOHRSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(Nc3cnc(C#N)cn3)CC2)O1 ZINC001057449785 772629437 /nfs/dbraw/zinc/62/94/37/772629437.db2.gz RQUMLAYBJWVVSV-IUODEOHRSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057521517 772713633 /nfs/dbraw/zinc/71/36/33/772713633.db2.gz IACKUQRZHHQEDJ-IAGOWNOFSA-N 1 1 349.475 0.457 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C)C1 ZINC001057540158 772735351 /nfs/dbraw/zinc/73/53/51/772735351.db2.gz JCRNBWIMBCTNHJ-OAHLLOKOSA-N 1 1 337.464 0.315 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057599021 772795229 /nfs/dbraw/zinc/79/52/29/772795229.db2.gz OHYJCBQNRLGACE-DLBZAZTESA-N 1 1 349.475 0.601 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057655367 772871867 /nfs/dbraw/zinc/87/18/67/772871867.db2.gz ODWCLFHSLXMVPG-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057655367 772871868 /nfs/dbraw/zinc/87/18/68/772871868.db2.gz ODWCLFHSLXMVPG-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057655701 772872545 /nfs/dbraw/zinc/87/25/45/772872545.db2.gz QWMPQVBKLOJKNR-GJZGRUSLSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057655701 772872549 /nfs/dbraw/zinc/87/25/49/772872549.db2.gz QWMPQVBKLOJKNR-GJZGRUSLSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001057759118 772968061 /nfs/dbraw/zinc/96/80/61/772968061.db2.gz GCVVHYFKBQWCHR-UONOGXRCSA-N 1 1 328.420 0.657 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001057845417 773063530 /nfs/dbraw/zinc/06/35/30/773063530.db2.gz DOTCZDDUZUCNEI-HNNXBMFYSA-N 1 1 344.419 0.072 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001057845417 773063534 /nfs/dbraw/zinc/06/35/34/773063534.db2.gz DOTCZDDUZUCNEI-HNNXBMFYSA-N 1 1 344.419 0.072 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057875861 773112627 /nfs/dbraw/zinc/11/26/27/773112627.db2.gz OPOYHAUNESTXMZ-KRWDZBQOSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057875861 773112628 /nfs/dbraw/zinc/11/26/28/773112628.db2.gz OPOYHAUNESTXMZ-KRWDZBQOSA-N 1 1 343.431 0.759 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001057876350 773114073 /nfs/dbraw/zinc/11/40/73/773114073.db2.gz HQGYAZBGXIQDHI-OAHLLOKOSA-N 1 1 346.431 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(C)(C)CC ZINC001057962274 773294586 /nfs/dbraw/zinc/29/45/86/773294586.db2.gz PGZCPYMHBXXOFX-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(C)(C)CC ZINC001057962274 773294590 /nfs/dbraw/zinc/29/45/90/773294590.db2.gz PGZCPYMHBXXOFX-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(c3ccc(C#N)nc3)CC2)O1 ZINC001057969425 773308078 /nfs/dbraw/zinc/30/80/78/773308078.db2.gz UEDFLLLCWXUEEI-CXAGYDPISA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(c3ccc(C#N)nc3)CC2)O1 ZINC001057969425 773308085 /nfs/dbraw/zinc/30/80/85/773308085.db2.gz UEDFLLLCWXUEEI-CXAGYDPISA-N 1 1 343.431 0.757 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001058039266 773405494 /nfs/dbraw/zinc/40/54/94/773405494.db2.gz UUYIIRXIAOYRMZ-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058073937 773478348 /nfs/dbraw/zinc/47/83/48/773478348.db2.gz FYWHXHRMJPKJJM-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO Cc1ccc(C#N)c(N2CCC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058135042 773605269 /nfs/dbraw/zinc/60/52/69/773605269.db2.gz VDNFTGIHWKCLGR-HOTGVXAUSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1ccc(C#N)c(N2CCC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058135042 773605273 /nfs/dbraw/zinc/60/52/73/773605273.db2.gz VDNFTGIHWKCLGR-HOTGVXAUSA-N 1 1 343.431 0.677 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058134891 773605634 /nfs/dbraw/zinc/60/56/34/773605634.db2.gz QSMXDQLOXAPGJZ-UKRRQHHQSA-N 1 1 347.394 0.508 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058134891 773605636 /nfs/dbraw/zinc/60/56/36/773605636.db2.gz QSMXDQLOXAPGJZ-UKRRQHHQSA-N 1 1 347.394 0.508 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058167492 773683049 /nfs/dbraw/zinc/68/30/49/773683049.db2.gz DXNSTEWTPNHAOA-GJZGRUSLSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058167492 773683051 /nfs/dbraw/zinc/68/30/51/773683051.db2.gz DXNSTEWTPNHAOA-GJZGRUSLSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058167762 773684131 /nfs/dbraw/zinc/68/41/31/773684131.db2.gz LHSWVGFHQGTKPJ-ZIAGYGMSSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058167762 773684137 /nfs/dbraw/zinc/68/41/37/773684137.db2.gz LHSWVGFHQGTKPJ-ZIAGYGMSSA-N 1 1 344.419 0.154 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001058278206 773906980 /nfs/dbraw/zinc/90/69/80/773906980.db2.gz FORCDLCIACJDHN-UHFFFAOYSA-N 1 1 345.443 0.559 20 30 ECEDMO C#CCCCCCC(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001058307659 773945818 /nfs/dbraw/zinc/94/58/18/773945818.db2.gz RUFIJELHYALHCH-UHFFFAOYSA-N 1 1 348.447 0.712 20 30 ECEDMO Cc1nc(N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001058316820 773960703 /nfs/dbraw/zinc/96/07/03/773960703.db2.gz IQVNTQSCFSTMKS-HUUCEWRRSA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1nc(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001058316820 773960708 /nfs/dbraw/zinc/96/07/08/773960708.db2.gz IQVNTQSCFSTMKS-HUUCEWRRSA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1nsc(N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001058317057 773961937 /nfs/dbraw/zinc/96/19/37/773961937.db2.gz NTGQCYQPSXHRPS-DGCLKSJQSA-N 1 1 335.433 0.349 20 30 ECEDMO Cc1nsc(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001058317057 773961943 /nfs/dbraw/zinc/96/19/43/773961943.db2.gz NTGQCYQPSXHRPS-DGCLKSJQSA-N 1 1 335.433 0.349 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058376723 774060784 /nfs/dbraw/zinc/06/07/84/774060784.db2.gz UFDNRJFSJRFNDG-LSDHHAIUSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058376723 774060791 /nfs/dbraw/zinc/06/07/91/774060791.db2.gz UFDNRJFSJRFNDG-LSDHHAIUSA-N 1 1 329.404 0.369 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001058437782 774179424 /nfs/dbraw/zinc/17/94/24/774179424.db2.gz KCKDRMBMOPZSMT-ZIAGYGMSSA-N 1 1 336.436 0.587 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058444381 774194355 /nfs/dbraw/zinc/19/43/55/774194355.db2.gz OTEPPSMWENQGAL-HZPDHXFCSA-N 1 1 337.464 0.457 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058447403 774200421 /nfs/dbraw/zinc/20/04/21/774200421.db2.gz WUWXIQKCSFRJEW-UKRRQHHQSA-N 1 1 328.420 0.916 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 ZINC001058492496 774296638 /nfs/dbraw/zinc/29/66/38/774296638.db2.gz XOIJNXHRUROMSM-ZDUSSCGKSA-N 1 1 325.376 0.557 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001058546704 774408296 /nfs/dbraw/zinc/40/82/96/774408296.db2.gz LDDOPGIKUASGLP-JSGCOSHPSA-N 1 1 328.420 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nc(C)cc(OC)n2)C1 ZINC001058589678 774491313 /nfs/dbraw/zinc/49/13/13/774491313.db2.gz JXCALSPKISNZGZ-GJZGRUSLSA-N 1 1 343.431 0.586 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nc(C)cc(OC)n2)C1 ZINC001058589678 774491315 /nfs/dbraw/zinc/49/13/15/774491315.db2.gz JXCALSPKISNZGZ-GJZGRUSLSA-N 1 1 343.431 0.586 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058623197 774560805 /nfs/dbraw/zinc/56/08/05/774560805.db2.gz JWOHDTKCANJDSW-HUUCEWRRSA-N 1 1 325.453 0.478 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnn(C)n3)C[C@H]2C)nc1 ZINC001044822931 774651474 /nfs/dbraw/zinc/65/14/74/774651474.db2.gz MUHLDRFMURYHNF-TZMCWYRMSA-N 1 1 339.403 0.369 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cnon2)nn1 ZINC001045234779 775194359 /nfs/dbraw/zinc/19/43/59/775194359.db2.gz BZVWONOYNPXPCL-ZDUSSCGKSA-N 1 1 331.380 0.632 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nncn2C)nn1 ZINC001045235142 775194785 /nfs/dbraw/zinc/19/47/85/775194785.db2.gz JRLNRAMOUHSTBJ-ZDUSSCGKSA-N 1 1 344.423 0.377 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@@H](n2ccnn2)C1 ZINC001070022373 790355458 /nfs/dbraw/zinc/35/54/58/790355458.db2.gz LPTWFSQGQAZPMN-KGLIPLIRSA-N 1 1 328.376 0.507 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@@H](n2ccnn2)C1 ZINC001070022373 790355469 /nfs/dbraw/zinc/35/54/69/790355469.db2.gz LPTWFSQGQAZPMN-KGLIPLIRSA-N 1 1 328.376 0.507 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CNCc2nccn2C)CC1 ZINC001045321032 775407982 /nfs/dbraw/zinc/40/79/82/775407982.db2.gz CQEBKGXJVUWJBG-KRWDZBQOSA-N 1 1 343.475 0.846 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001045458365 775640500 /nfs/dbraw/zinc/64/05/00/775640500.db2.gz BIGQGYVLEVEDES-OAHLLOKOSA-N 1 1 337.464 0.905 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001045576036 775821599 /nfs/dbraw/zinc/82/15/99/775821599.db2.gz XXBQZVJGLZRTLL-JTQLQIEISA-N 1 1 328.800 0.308 20 30 ECEDMO C=CCCn1cc(C(=O)NC2(C)CC[NH+]([C@@H](C)C(N)=O)CC2)nn1 ZINC001045580781 775829388 /nfs/dbraw/zinc/82/93/88/775829388.db2.gz QSACYUBJLBCCPL-LBPRGKRZSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044298129 776087591 /nfs/dbraw/zinc/08/75/91/776087591.db2.gz IAONDRGICYKAFR-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001044409650 776284438 /nfs/dbraw/zinc/28/44/38/776284438.db2.gz JAXHRUHTDBAZDQ-UHFFFAOYSA-N 1 1 325.453 0.618 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044484011 776346173 /nfs/dbraw/zinc/34/61/73/776346173.db2.gz FFVHYDWNXUIIHT-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2n2ccnn2)nn1 ZINC001070051546 790456907 /nfs/dbraw/zinc/45/69/07/790456907.db2.gz ABUYKAQDSVMUBE-OCCSQVGLSA-N 1 1 330.396 0.119 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642802 776587924 /nfs/dbraw/zinc/58/79/24/776587924.db2.gz NIEQPQAKHRMIGR-KCPJHIHWSA-N 1 1 328.372 0.603 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O ZINC001044703230 776664338 /nfs/dbraw/zinc/66/43/38/776664338.db2.gz HCLOHKZHWXAUHF-OIISXLGYSA-N 1 1 343.431 0.493 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccn(C)n3)C2)C1=O ZINC001079683741 776678794 /nfs/dbraw/zinc/67/87/94/776678794.db2.gz CZXWGUSYMLCFHI-FVQBIDKESA-N 1 1 345.447 0.186 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001079689357 776690453 /nfs/dbraw/zinc/69/04/53/776690453.db2.gz BAJKCTFIGBLNSN-KRWDZBQOSA-N 1 1 334.420 0.578 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079742865 776787031 /nfs/dbraw/zinc/78/70/31/776787031.db2.gz OEGQMNGMJFCOFE-CZUORRHYSA-N 1 1 333.432 0.178 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079742865 776787040 /nfs/dbraw/zinc/78/70/40/776787040.db2.gz OEGQMNGMJFCOFE-CZUORRHYSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001079776886 776852865 /nfs/dbraw/zinc/85/28/65/776852865.db2.gz OFFZIDZFJLBXHV-DOTOQJQBSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079859844 776989931 /nfs/dbraw/zinc/98/99/31/776989931.db2.gz MHMGJUGRVPUXBG-IJEWVQPXSA-N 1 1 335.448 0.424 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)nn2)[C@@H](n2ccnn2)C1 ZINC001070069391 790500826 /nfs/dbraw/zinc/50/08/26/790500826.db2.gz DXUSSPHDHMIGFU-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2Cl)[C@@H](n2ccnn2)C1 ZINC001070073373 790511175 /nfs/dbraw/zinc/51/11/75/790511175.db2.gz HUNGGZZEWWYCPM-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2Cl)[C@@H](n2ccnn2)C1 ZINC001070073373 790511181 /nfs/dbraw/zinc/51/11/81/790511181.db2.gz HUNGGZZEWWYCPM-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(CC)on2)[C@@H](n2ccnn2)C1 ZINC001070078565 790529804 /nfs/dbraw/zinc/52/98/04/790529804.db2.gz FQACBFHPCDYFGE-CABCVRRESA-N 1 1 328.376 0.507 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)on2)[C@@H](n2ccnn2)C1 ZINC001070078565 790529810 /nfs/dbraw/zinc/52/98/10/790529810.db2.gz FQACBFHPCDYFGE-CABCVRRESA-N 1 1 328.376 0.507 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccn(C)c2=O)[C@@H](n2ccnn2)C1 ZINC001070078756 790529854 /nfs/dbraw/zinc/52/98/54/790529854.db2.gz OHGHTHZTISAZQJ-CABCVRRESA-N 1 1 342.403 0.208 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccn(C)c2=O)[C@@H](n2ccnn2)C1 ZINC001070078756 790529861 /nfs/dbraw/zinc/52/98/61/790529861.db2.gz OHGHTHZTISAZQJ-CABCVRRESA-N 1 1 342.403 0.208 20 30 ECEDMO CCN(C(=O)CC[NH+]1CCOCC1)C1CN(C(=O)C#CC(C)(C)C)C1 ZINC001080096470 777382743 /nfs/dbraw/zinc/38/27/43/777382743.db2.gz JOLPIKBWGRVJBT-UHFFFAOYSA-N 1 1 349.475 0.818 20 30 ECEDMO CCN(C(=O)Cn1c[nH+]cc1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001080105100 777396850 /nfs/dbraw/zinc/39/68/50/777396850.db2.gz COAJWLMACZXVTE-UHFFFAOYSA-N 1 1 340.387 0.764 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080140560 777450466 /nfs/dbraw/zinc/45/04/66/777450466.db2.gz VYNYLKWOMURTAZ-KDOFPFPSSA-N 1 1 337.464 0.715 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001080196210 777537406 /nfs/dbraw/zinc/53/74/06/777537406.db2.gz NCISNTGVAMTXOV-NXHRZFHOSA-N 1 1 333.476 0.947 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001080232028 777586579 /nfs/dbraw/zinc/58/65/79/777586579.db2.gz ZRAHNQCKBARFNL-DGCLKSJQSA-N 1 1 349.822 0.685 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001080232028 777586585 /nfs/dbraw/zinc/58/65/85/777586585.db2.gz ZRAHNQCKBARFNL-DGCLKSJQSA-N 1 1 349.822 0.685 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2C)cc1 ZINC001080244833 777601742 /nfs/dbraw/zinc/60/17/42/777601742.db2.gz NZUGQZCWCNLOHM-XYPHTWIQSA-N 1 1 325.412 0.997 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)cc1 ZINC001080244689 777602018 /nfs/dbraw/zinc/60/20/18/777602018.db2.gz GZAOCDXNMMVOFZ-RHSMWYFYSA-N 1 1 340.427 0.743 20 30 ECEDMO CC#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001080294424 777654243 /nfs/dbraw/zinc/65/42/43/777654243.db2.gz FPLJQSHXQDRSCE-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO CC#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001080294424 777654248 /nfs/dbraw/zinc/65/42/48/777654248.db2.gz FPLJQSHXQDRSCE-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC3=CCOCC3)C2)C1=O ZINC001080393658 777786943 /nfs/dbraw/zinc/78/69/43/777786943.db2.gz YFXWDJVFNBXTAX-OIISXLGYSA-N 1 1 347.459 0.947 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCOCC1 ZINC001070091750 790572736 /nfs/dbraw/zinc/57/27/36/790572736.db2.gz CQDBHZSAMHRPIT-HOTGVXAUSA-N 1 1 349.475 0.769 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080459404 777892610 /nfs/dbraw/zinc/89/26/10/777892610.db2.gz VLQFUCHLHWQYCU-BQDHKBFISA-N 1 1 326.400 0.616 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1C ZINC001080472058 777906248 /nfs/dbraw/zinc/90/62/48/777906248.db2.gz AJKJHOSPTAYDIA-DZUCGIPZSA-N 1 1 332.448 0.990 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001043211531 777973475 /nfs/dbraw/zinc/97/34/75/777973475.db2.gz LSRXYEOJIKGRCC-BPLDGKMQSA-N 1 1 344.419 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001043211531 777973484 /nfs/dbraw/zinc/97/34/84/777973484.db2.gz LSRXYEOJIKGRCC-BPLDGKMQSA-N 1 1 344.419 0.328 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001080556681 778018917 /nfs/dbraw/zinc/01/89/17/778018917.db2.gz QSOQKGRQJNBCRI-KDOFPFPSSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2C)nn1 ZINC001080589602 778101336 /nfs/dbraw/zinc/10/13/36/778101336.db2.gz BQQJAQCPXGNALB-YRGRVCCFSA-N 1 1 334.424 0.168 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]2C)nn1 ZINC001080589602 778101341 /nfs/dbraw/zinc/10/13/41/778101341.db2.gz BQQJAQCPXGNALB-YRGRVCCFSA-N 1 1 334.424 0.168 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC001068570903 790599684 /nfs/dbraw/zinc/59/96/84/790599684.db2.gz FKZQZHFIEPQVJF-HZPDHXFCSA-N 1 1 347.459 0.474 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043430702 778317507 /nfs/dbraw/zinc/31/75/07/778317507.db2.gz LQFSKKUDCFTQAR-UHFFFAOYSA-N 1 1 345.871 0.795 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001043448454 778350637 /nfs/dbraw/zinc/35/06/37/778350637.db2.gz GGVSSBJNJKDWMX-HNNXBMFYSA-N 1 1 337.464 0.620 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC001070108500 790630340 /nfs/dbraw/zinc/63/03/40/790630340.db2.gz FFUPBZSFZPUIEZ-JKSUJKDBSA-N 1 1 349.475 0.625 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070111929 790641659 /nfs/dbraw/zinc/64/16/59/790641659.db2.gz GAOWFBSWQRBKMI-UHFFFAOYSA-N 1 1 335.448 0.523 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 ZINC001043677076 778704219 /nfs/dbraw/zinc/70/42/19/778704219.db2.gz CAVUTTVBHFMIFN-OWCLPIDISA-N 1 1 341.415 0.463 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043678636 778707826 /nfs/dbraw/zinc/70/78/26/778707826.db2.gz IBSNVONKJYXLRB-HUUCEWRRSA-N 1 1 335.448 0.659 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(c3ccncc3C#N)C[C@@H]21 ZINC001043678898 778708735 /nfs/dbraw/zinc/70/87/35/778708735.db2.gz WCFGQLMRPPYSQG-YESZJQIVSA-N 1 1 341.415 0.463 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043773376 778850898 /nfs/dbraw/zinc/85/08/98/778850898.db2.gz NQNKYGNXIYJSFY-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 ZINC001070123448 790690299 /nfs/dbraw/zinc/69/02/99/790690299.db2.gz OHHXWYAFBHARNO-LBPRGKRZSA-N 1 1 333.392 0.133 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001042268925 779946520 /nfs/dbraw/zinc/94/65/20/779946520.db2.gz HLLCEFPVFMAMCG-WCQYABFASA-N 1 1 339.823 0.715 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001042268925 779946522 /nfs/dbraw/zinc/94/65/22/779946522.db2.gz HLLCEFPVFMAMCG-WCQYABFASA-N 1 1 339.823 0.715 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@H]21 ZINC001042271006 779952321 /nfs/dbraw/zinc/95/23/21/779952321.db2.gz VRPOBKDTBMZAHR-DZGCQCFKSA-N 1 1 339.399 0.501 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@@H]21 ZINC001042271441 779952670 /nfs/dbraw/zinc/95/26/70/779952670.db2.gz YFRMDXJXOQVNGN-GJZGRUSLSA-N 1 1 346.431 0.426 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]21 ZINC001042286470 779991918 /nfs/dbraw/zinc/99/19/18/779991918.db2.gz AKJZOOJNVRTNAY-JKSUJKDBSA-N 1 1 328.416 0.416 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]21 ZINC001042287713 779994862 /nfs/dbraw/zinc/99/48/62/779994862.db2.gz MKZOEECIWHNKFS-SJORKVTESA-N 1 1 342.443 0.806 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@@H]21 ZINC001042293642 780008674 /nfs/dbraw/zinc/00/86/74/780008674.db2.gz HQXKXVGHFDLPRV-GJZGRUSLSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@@H]21 ZINC001042293642 780008683 /nfs/dbraw/zinc/00/86/83/780008683.db2.gz HQXKXVGHFDLPRV-GJZGRUSLSA-N 1 1 338.473 0.900 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 ZINC001042311285 780048846 /nfs/dbraw/zinc/04/88/46/780048846.db2.gz IIXXSDJFEISREQ-LSDHHAIUSA-N 1 1 348.447 0.769 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]21 ZINC001042312023 780051399 /nfs/dbraw/zinc/05/13/99/780051399.db2.gz LYWOORXICXLEBL-VXGBXAGGSA-N 1 1 346.387 0.456 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC2(CN(C(=O)C#CC(C)C)C2)O1 ZINC001068632661 790757556 /nfs/dbraw/zinc/75/75/56/790757556.db2.gz RXRVBZNOUDEQOT-INIZCTEOSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 ZINC001042333858 780088743 /nfs/dbraw/zinc/08/87/43/780088743.db2.gz QKMDETQVMCIAEJ-JKSUJKDBSA-N 1 1 347.463 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001078537025 780097908 /nfs/dbraw/zinc/09/79/08/780097908.db2.gz KVDZSLONMCOABG-CFVMTHIKSA-N 1 1 334.420 0.794 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001042350330 780117356 /nfs/dbraw/zinc/11/73/56/780117356.db2.gz YGFXRNNLBDHCNF-OLZOCXBDSA-N 1 1 327.388 0.135 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]21 ZINC001042353359 780124556 /nfs/dbraw/zinc/12/45/56/780124556.db2.gz LQXVALQMJYXBPC-UKRRQHHQSA-N 1 1 346.431 0.989 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070158532 790781640 /nfs/dbraw/zinc/78/16/40/790781640.db2.gz OKLJNOKYEYNQNR-XQQFMLRXSA-N 1 1 325.800 0.409 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C23CCC3)nn1 ZINC001078743947 780423280 /nfs/dbraw/zinc/42/32/80/780423280.db2.gz LARXBPNASBYCFQ-KBPBESRZSA-N 1 1 343.391 0.678 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001042585648 780487202 /nfs/dbraw/zinc/48/72/02/780487202.db2.gz XZJGTTSKUXOKFJ-QHSBEEBCSA-N 1 1 328.420 0.629 20 30 ECEDMO C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001042629559 780554279 /nfs/dbraw/zinc/55/42/79/780554279.db2.gz NOGMALCYPJQVAZ-RRCSTGOVSA-N 1 1 343.431 0.613 20 30 ECEDMO C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001042629559 780554283 /nfs/dbraw/zinc/55/42/83/780554283.db2.gz NOGMALCYPJQVAZ-RRCSTGOVSA-N 1 1 343.431 0.613 20 30 ECEDMO C=CCOCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001078885386 780583513 /nfs/dbraw/zinc/58/35/13/780583513.db2.gz ZKRZXVGBDKXAKE-CVEARBPZSA-N 1 1 337.464 0.980 20 30 ECEDMO CSCC(=O)N1CC[NH+](CCCCCNC(=O)[C@H](C)C#N)CC1 ZINC001079164751 780846926 /nfs/dbraw/zinc/84/69/26/780846926.db2.gz QPIMNVYLALTSPM-CQSZACIVSA-N 1 1 340.493 0.940 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC(N(CC)C(=O)CSCC#N)C1 ZINC001079341557 781003935 /nfs/dbraw/zinc/00/39/35/781003935.db2.gz FOKSZRWZOHUWJY-UHFFFAOYSA-N 1 1 326.466 0.644 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001042942724 781076491 /nfs/dbraw/zinc/07/64/91/781076491.db2.gz BPHAFAJJNODRPG-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001042973934 781122615 /nfs/dbraw/zinc/12/26/15/781122615.db2.gz FBSRMYOUBPHHOM-FRFSOERESA-N 1 1 343.431 0.615 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526181 781221618 /nfs/dbraw/zinc/22/16/18/781221618.db2.gz IUZYMWBKFCHUKI-QRQLOZEOSA-N 1 1 341.455 0.805 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526181 781221620 /nfs/dbraw/zinc/22/16/20/781221620.db2.gz IUZYMWBKFCHUKI-QRQLOZEOSA-N 1 1 341.455 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)C=C(C)C)CO2 ZINC001068675379 790868572 /nfs/dbraw/zinc/86/85/72/790868572.db2.gz HQQSIIZPRDIKAH-HOTGVXAUSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)C=C(C)C)CO2 ZINC001068675379 790868587 /nfs/dbraw/zinc/86/85/87/790868587.db2.gz HQQSIIZPRDIKAH-HOTGVXAUSA-N 1 1 345.443 0.536 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079538068 781238304 /nfs/dbraw/zinc/23/83/04/781238304.db2.gz PLGYYVVBBOSXQL-DVOMOZLQSA-N 1 1 343.431 0.853 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043060507 781257735 /nfs/dbraw/zinc/25/77/35/781257735.db2.gz UHZKRGMHKKYJTF-HOTGVXAUSA-N 1 1 347.459 0.210 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079581040 781285530 /nfs/dbraw/zinc/28/55/30/781285530.db2.gz BPNRUESJENNEPG-UEKVPHQBSA-N 1 1 329.404 0.604 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079581040 781285534 /nfs/dbraw/zinc/28/55/34/781285534.db2.gz BPNRUESJENNEPG-UEKVPHQBSA-N 1 1 329.404 0.604 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041367787 781366433 /nfs/dbraw/zinc/36/64/33/781366433.db2.gz HHAONBQPSSAHPT-SUMWQHHRSA-N 1 1 334.420 0.475 20 30 ECEDMO CN(c1cnc(C#N)cn1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001068679235 790878537 /nfs/dbraw/zinc/87/85/37/790878537.db2.gz OZAORJCQYPBKIC-ZDUSSCGKSA-N 1 1 328.420 0.727 20 30 ECEDMO CN(c1nccnc1C#N)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001068678953 790878664 /nfs/dbraw/zinc/87/86/64/790878664.db2.gz HFCWGUJGDSNMKJ-CYBMUJFWSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001041406836 781446424 /nfs/dbraw/zinc/44/64/24/781446424.db2.gz ZXKOJMMFLPRUQE-HOTGVXAUSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001041406836 781446426 /nfs/dbraw/zinc/44/64/26/781446426.db2.gz ZXKOJMMFLPRUQE-HOTGVXAUSA-N 1 1 345.443 0.130 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077670883 781467619 /nfs/dbraw/zinc/46/76/19/781467619.db2.gz NSEHNSADVLTDNY-NWANDNLSSA-N 1 1 338.839 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041423641 781476431 /nfs/dbraw/zinc/47/64/31/781476431.db2.gz VIXIPHXQIHAQQV-SUMWQHHRSA-N 1 1 329.404 0.104 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001041423482 781476468 /nfs/dbraw/zinc/47/64/68/781476468.db2.gz UEOPAOWVJGTCLU-HNNXBMFYSA-N 1 1 339.827 0.259 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001041423482 781476472 /nfs/dbraw/zinc/47/64/72/781476472.db2.gz UEOPAOWVJGTCLU-HNNXBMFYSA-N 1 1 339.827 0.259 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001077679151 781491764 /nfs/dbraw/zinc/49/17/64/781491764.db2.gz IIWSZUDKPMPOSM-APHBMKBZSA-N 1 1 348.472 0.623 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(F)(F)F)C1 ZINC001077736656 781620899 /nfs/dbraw/zinc/62/08/99/781620899.db2.gz ALBUNPDLKZONRO-VXGBXAGGSA-N 1 1 327.306 0.899 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(F)(F)F)C1 ZINC001077736656 781620904 /nfs/dbraw/zinc/62/09/04/781620904.db2.gz ALBUNPDLKZONRO-VXGBXAGGSA-N 1 1 327.306 0.899 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3nc4ccccn4c3=O)C2)C1 ZINC001041522433 781691120 /nfs/dbraw/zinc/69/11/20/781691120.db2.gz IPEMAALKUUNOBW-GOSISDBHSA-N 1 1 341.415 0.606 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001077801334 781721633 /nfs/dbraw/zinc/72/16/33/781721633.db2.gz MZWGVYADVRULRU-RKDXNWHRSA-N 1 1 333.314 0.185 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001077801334 781721637 /nfs/dbraw/zinc/72/16/37/781721637.db2.gz MZWGVYADVRULRU-RKDXNWHRSA-N 1 1 333.314 0.185 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@H](C)F)C[C@H]2O)nn1 ZINC001077812453 781739132 /nfs/dbraw/zinc/73/91/32/781739132.db2.gz FYQZBQIDANNXKP-OUCADQQQSA-N 1 1 325.388 0.377 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001041545752 781741722 /nfs/dbraw/zinc/74/17/22/781741722.db2.gz XTKKSLIDRZZPLM-QGZVFWFLSA-N 1 1 333.436 0.745 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001041545752 781741729 /nfs/dbraw/zinc/74/17/29/781741729.db2.gz XTKKSLIDRZZPLM-QGZVFWFLSA-N 1 1 333.436 0.745 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC001041604881 781837617 /nfs/dbraw/zinc/83/76/17/781837617.db2.gz HYUFBXZMDHKLRI-GOSISDBHSA-N 1 1 329.400 0.869 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)c1 ZINC001041623123 781872851 /nfs/dbraw/zinc/87/28/51/781872851.db2.gz LPRYHEHFPYUXDT-KRWDZBQOSA-N 1 1 330.363 0.607 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(c3ncccc3C#N)CCCO2)C1 ZINC001039915170 783275003 /nfs/dbraw/zinc/27/50/03/783275003.db2.gz LOFUYFMOZFLECX-HZPDHXFCSA-N 1 1 343.431 0.616 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001040762873 783385201 /nfs/dbraw/zinc/38/52/01/783385201.db2.gz FHFIWHRPYFPRLP-UONOGXRCSA-N 1 1 337.387 0.591 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001040823763 783510642 /nfs/dbraw/zinc/51/06/42/783510642.db2.gz ZWXQSCMEKOBPGX-OFQRWUPVSA-N 1 1 340.431 0.870 20 30 ECEDMO CC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001037817821 783607653 /nfs/dbraw/zinc/60/76/53/783607653.db2.gz TUYQAWOPVNUBGY-CHWSQXEVSA-N 1 1 342.407 0.440 20 30 ECEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2n2ccnn2)on1 ZINC001070192905 783625990 /nfs/dbraw/zinc/62/59/90/783625990.db2.gz VSTBRFFXANSESF-CVEARBPZSA-N 1 1 340.387 0.530 20 30 ECEDMO C=CCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001070361154 783893907 /nfs/dbraw/zinc/89/39/07/783893907.db2.gz KQRLREXAYXHFRL-IHRRRGAJSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1C[C@@H](OC)C[C@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070361154 783893910 /nfs/dbraw/zinc/89/39/10/783893910.db2.gz KQRLREXAYXHFRL-IHRRRGAJSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1C[C@@H](OC)C[C@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070361154 783893913 /nfs/dbraw/zinc/89/39/13/783893913.db2.gz KQRLREXAYXHFRL-IHRRRGAJSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1C[C@@H](OC)C[C@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001070361154 783893915 /nfs/dbraw/zinc/89/39/15/783893915.db2.gz KQRLREXAYXHFRL-IHRRRGAJSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1C[C@@H](OC)C[C@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070361154 783893918 /nfs/dbraw/zinc/89/39/18/783893918.db2.gz KQRLREXAYXHFRL-IHRRRGAJSA-N 1 1 348.451 0.320 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)cc2)C1 ZINC001038134493 783900001 /nfs/dbraw/zinc/90/00/01/783900001.db2.gz FOUXQYTWPSSFSD-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)cc2)C1 ZINC001038134493 783900007 /nfs/dbraw/zinc/90/00/07/783900007.db2.gz FOUXQYTWPSSFSD-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnnn2C)C1 ZINC001070385502 783928744 /nfs/dbraw/zinc/92/87/44/783928744.db2.gz XVIHUAIQJDBQHN-AWEZNQCLSA-N 1 1 342.403 0.779 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2nnn(C)n2)C1 ZINC001070386401 783931695 /nfs/dbraw/zinc/93/16/95/783931695.db2.gz OQBVEGUZZGWJMY-ZDUSSCGKSA-N 1 1 343.391 0.174 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCN2C)C1 ZINC001070399283 783965353 /nfs/dbraw/zinc/96/53/53/783965353.db2.gz IFDXGPOKOBAYQZ-ZBFHGGJFSA-N 1 1 329.448 0.933 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCN2C)C1 ZINC001070399283 783965363 /nfs/dbraw/zinc/96/53/63/783965363.db2.gz IFDXGPOKOBAYQZ-ZBFHGGJFSA-N 1 1 329.448 0.933 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001070399685 783967496 /nfs/dbraw/zinc/96/74/96/783967496.db2.gz NQOITGZWEVMRFC-TZMCWYRMSA-N 1 1 331.420 0.670 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCN2C)C1 ZINC001070400165 783968296 /nfs/dbraw/zinc/96/82/96/783968296.db2.gz SJYBQZVXVSNVIB-ZBFHGGJFSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCN2C)C1 ZINC001070400165 783968302 /nfs/dbraw/zinc/96/83/02/783968302.db2.gz SJYBQZVXVSNVIB-ZBFHGGJFSA-N 1 1 329.448 0.933 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001070411166 783999886 /nfs/dbraw/zinc/99/98/86/783999886.db2.gz FLYKHKYRDVBSKR-KGLIPLIRSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001070420010 784027072 /nfs/dbraw/zinc/02/70/72/784027072.db2.gz NVAOHZSHVNLJLH-GFCCVEGCSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001070433691 784059884 /nfs/dbraw/zinc/05/98/84/784059884.db2.gz BCWFLZNGHFTAQH-GDBMZVCRSA-N 1 1 345.447 0.169 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001070434117 784061682 /nfs/dbraw/zinc/06/16/82/784061682.db2.gz MUIJMSQSJFTNCJ-GDBMZVCRSA-N 1 1 347.463 0.722 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442246 784084443 /nfs/dbraw/zinc/08/44/43/784084443.db2.gz FTGNDGVHERXGSG-GJZGRUSLSA-N 1 1 344.463 0.621 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ccon1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442806 784087662 /nfs/dbraw/zinc/08/76/62/784087662.db2.gz PQIOSLONSYAWNW-LBPRGKRZSA-N 1 1 328.376 0.829 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070905955 784088283 /nfs/dbraw/zinc/08/82/83/784088283.db2.gz OJFNBUKTWCUYAM-ZNMIVQPWSA-N 1 1 345.403 0.705 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1cnon1)C[C@H]2c1nnc(C)[nH]1 ZINC001070451064 784112328 /nfs/dbraw/zinc/11/23/28/784112328.db2.gz UAWLYXYAWPEYEH-LBPRGKRZSA-N 1 1 343.391 0.614 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCCOC)C1 ZINC001070481392 784166131 /nfs/dbraw/zinc/16/61/31/784166131.db2.gz RXTWVNBZCDWWNB-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCCOC)C1 ZINC001070481392 784166138 /nfs/dbraw/zinc/16/61/38/784166138.db2.gz RXTWVNBZCDWWNB-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H](NCC#N)C2)CC[N@H+]1C ZINC001070494809 784189048 /nfs/dbraw/zinc/18/90/48/784189048.db2.gz JXNNWVAZEGLVSO-XJNFMUPTSA-N 1 1 344.463 0.558 20 30 ECEDMO COC[C@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955664 784218524 /nfs/dbraw/zinc/21/85/24/784218524.db2.gz XJBCWPWUJIIBJS-ZDUSSCGKSA-N 1 1 347.419 0.185 20 30 ECEDMO COC[C@H](C)[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955664 784218535 /nfs/dbraw/zinc/21/85/35/784218535.db2.gz XJBCWPWUJIIBJS-ZDUSSCGKSA-N 1 1 347.419 0.185 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(C)c2ccnc(C#N)n2)CC1 ZINC001068727308 791007297 /nfs/dbraw/zinc/00/72/97/791007297.db2.gz LGXOEOCZMXPNKJ-UKRRQHHQSA-N 1 1 342.447 0.973 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CC3CCC3)CC2)[nH]1 ZINC001070956568 784221614 /nfs/dbraw/zinc/22/16/14/784221614.db2.gz SMZOQBPZFNMANH-UHFFFAOYSA-N 1 1 343.431 0.951 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001070534499 784239845 /nfs/dbraw/zinc/23/98/45/784239845.db2.gz XOKSSMOFONVNFF-BHEGOAEISA-N 1 1 347.459 0.923 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(=O)NCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC001070962328 784240273 /nfs/dbraw/zinc/24/02/73/784240273.db2.gz ORSYXQXJVZULNJ-KRWDZBQOSA-N 1 1 347.459 0.477 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccncn2)CC1 ZINC001070967978 784258523 /nfs/dbraw/zinc/25/85/23/784258523.db2.gz HNFFYDUFBNCYOO-UHFFFAOYSA-N 1 1 343.431 0.083 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccncn2)CC1 ZINC001070967978 784258528 /nfs/dbraw/zinc/25/85/28/784258528.db2.gz HNFFYDUFBNCYOO-UHFFFAOYSA-N 1 1 343.431 0.083 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001070970490 784270147 /nfs/dbraw/zinc/27/01/47/784270147.db2.gz HXFBWKHRSLFKJN-MRXNPFEDSA-N 1 1 349.479 0.423 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001070976958 784294773 /nfs/dbraw/zinc/29/47/73/784294773.db2.gz XDJJCWVNIFIHMR-KRWDZBQOSA-N 1 1 348.491 0.391 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(=O)n(C)c2)CC1 ZINC001070978007 784298235 /nfs/dbraw/zinc/29/82/35/784298235.db2.gz VQBHLRZKEFXVDA-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001070979010 784301329 /nfs/dbraw/zinc/30/13/29/784301329.db2.gz OEVIRTQMBLIMOH-APWZRJJASA-N 1 1 347.459 0.619 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001070979010 784301337 /nfs/dbraw/zinc/30/13/37/784301337.db2.gz OEVIRTQMBLIMOH-APWZRJJASA-N 1 1 347.459 0.619 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@]2(C)CCO[C@H]2C)CC1 ZINC001070984129 784320008 /nfs/dbraw/zinc/32/00/08/784320008.db2.gz VGQGBCJNJNQBBK-YJBOKZPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@]2(C)CCO[C@H]2C)CC1 ZINC001070984129 784320016 /nfs/dbraw/zinc/32/00/16/784320016.db2.gz VGQGBCJNJNQBBK-YJBOKZPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001070995031 784352805 /nfs/dbraw/zinc/35/28/05/784352805.db2.gz OKPUKSHOGWWSFC-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001070995031 784352813 /nfs/dbraw/zinc/35/28/13/784352813.db2.gz OKPUKSHOGWWSFC-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCCO2)n1 ZINC001070600191 784415989 /nfs/dbraw/zinc/41/59/89/784415989.db2.gz IALUVOSLDPUMJQ-RRFJBIMHSA-N 1 1 332.404 0.723 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001071017000 784428997 /nfs/dbraw/zinc/42/89/97/784428997.db2.gz ATUXEKBOPJFURH-UHFFFAOYSA-N 1 1 332.404 0.627 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001071017000 784429001 /nfs/dbraw/zinc/42/90/01/784429001.db2.gz ATUXEKBOPJFURH-UHFFFAOYSA-N 1 1 332.404 0.627 20 30 ECEDMO C=C(C)CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071020873 784441396 /nfs/dbraw/zinc/44/13/96/784441396.db2.gz ZGRHOTBSQFQLAD-MRXNPFEDSA-N 1 1 336.480 0.555 20 30 ECEDMO C=C(C)CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071020873 784441399 /nfs/dbraw/zinc/44/13/99/784441399.db2.gz ZGRHOTBSQFQLAD-MRXNPFEDSA-N 1 1 336.480 0.555 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001071022846 784447016 /nfs/dbraw/zinc/44/70/16/784447016.db2.gz DLVPORNMWCLGHF-INIZCTEOSA-N 1 1 336.480 0.697 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC23CCOCC3)CC1 ZINC001071026957 784457159 /nfs/dbraw/zinc/45/71/59/784457159.db2.gz TWZJFQRELRABLM-INIZCTEOSA-N 1 1 347.459 0.477 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC23CCOCC3)CC1 ZINC001071026957 784457161 /nfs/dbraw/zinc/45/71/61/784457161.db2.gz TWZJFQRELRABLM-INIZCTEOSA-N 1 1 347.459 0.477 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccon2)C1 ZINC001070630644 784462599 /nfs/dbraw/zinc/46/25/99/784462599.db2.gz ZNOCJAHHLOTMNK-IACUBPJLSA-N 1 1 328.376 0.652 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ncnn2C)CC1 ZINC001071044049 784475153 /nfs/dbraw/zinc/47/51/53/784475153.db2.gz DSYOILASAIDWLA-BJJXKVORSA-N 1 1 346.435 0.460 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001070673048 784530561 /nfs/dbraw/zinc/53/05/61/784530561.db2.gz WEJVKSJUXLLJTM-RHSMWYFYSA-N 1 1 325.453 0.763 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cncn1C ZINC001070709584 784577605 /nfs/dbraw/zinc/57/76/05/784577605.db2.gz NTAQLWRLZKPKDS-VXGBXAGGSA-N 1 1 349.826 0.417 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cncn1)C[C@@H](C)O2 ZINC001071136980 784583477 /nfs/dbraw/zinc/58/34/77/784583477.db2.gz SMRGGAVZBJJXKC-WBVHZDCISA-N 1 1 331.420 0.383 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc(C)cn1)C[C@H](C)O2 ZINC001071138897 784584950 /nfs/dbraw/zinc/58/49/50/784584950.db2.gz MCUBVXKYNSFRQC-FUHWJXTLSA-N 1 1 330.432 0.907 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 ZINC001071144568 784596547 /nfs/dbraw/zinc/59/65/47/784596547.db2.gz PXQZMYQGOCMLCL-ZBFHGGJFSA-N 1 1 344.477 0.689 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nnc[nH]1)C[C@H](C)O2 ZINC001071151410 784612002 /nfs/dbraw/zinc/61/20/02/784612002.db2.gz HSYKVWOZMCNTGP-WMLDXEAASA-N 1 1 331.420 0.452 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cc(C)n[nH]1)C[C@@H](C)O2 ZINC001071153883 784616444 /nfs/dbraw/zinc/61/64/44/784616444.db2.gz BLJMSOVFNRURAZ-CRAIPNDOSA-N 1 1 330.432 0.976 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CS(=O)(=O)C1)C[C@@H](C)O2 ZINC001071168951 784646398 /nfs/dbraw/zinc/64/63/98/784646398.db2.gz KEDQRRJBJIJTDI-CJNGLKHVSA-N 1 1 342.461 0.299 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1C)C[C@@H](C)O2 ZINC001071173824 784659929 /nfs/dbraw/zinc/65/99/29/784659929.db2.gz OBNSIOIDFZYQPK-DNVCBOLYSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cc(OC)no1)C[C@@H](C)O2 ZINC001071173804 784660153 /nfs/dbraw/zinc/66/01/53/784660153.db2.gz NVURPFOCGHJEOE-KDOFPFPSSA-N 1 1 347.415 0.941 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3n[nH]nc3c1)C[C@H](C)O2 ZINC001071175509 784663812 /nfs/dbraw/zinc/66/38/12/784663812.db2.gz FVBPPVPCLXSDKZ-YVEFUNNKSA-N 1 1 340.387 0.292 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3ncccc13)C[C@H](C)O2 ZINC001071176504 784666682 /nfs/dbraw/zinc/66/66/82/784666682.db2.gz WNQXKVPBVJKQRR-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3ncccc13)C[C@H](C)O2 ZINC001071176504 784666689 /nfs/dbraw/zinc/66/66/89/784666689.db2.gz WNQXKVPBVJKQRR-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1[nH]c(=O)[nH]c1C)C[C@H](C)O2 ZINC001071178575 784673414 /nfs/dbraw/zinc/67/34/14/784673414.db2.gz RXINEEDJXVBMME-SJCJKPOMSA-N 1 1 332.404 0.752 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnccc1OC)C[C@H](C)O2 ZINC001071180298 784677211 /nfs/dbraw/zinc/67/72/11/784677211.db2.gz JYPMDMGBXDFTBH-HNAYVOBHSA-N 1 1 343.427 0.958 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@H](C)O2 ZINC001071184218 784687215 /nfs/dbraw/zinc/68/72/15/784687215.db2.gz ZVNUOKZZENBZHR-KSSFIOAISA-N 1 1 331.416 0.877 20 30 ECEDMO C#CCN1CC[C@@]2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C[C@H](C)O2 ZINC001071186044 784690139 /nfs/dbraw/zinc/69/01/39/784690139.db2.gz PPGDESMAIGCLQM-FUHWJXTLSA-N 1 1 331.460 0.940 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn(CCOC)n1)C[C@H](C)O2 ZINC001071188732 784692634 /nfs/dbraw/zinc/69/26/34/784692634.db2.gz ADHOOMQIMVHPND-MAUKXSAKSA-N 1 1 346.431 0.468 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn(CCOC)n1)C[C@H](C)O2 ZINC001071188732 784692643 /nfs/dbraw/zinc/69/26/43/784692643.db2.gz ADHOOMQIMVHPND-MAUKXSAKSA-N 1 1 346.431 0.468 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccnc1)C[C@@H](C)O2 ZINC001071195147 784712495 /nfs/dbraw/zinc/71/24/95/784712495.db2.gz SIZBPUNBGJQWMH-SJLPKXTDSA-N 1 1 330.432 0.988 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c(C)nn(C)c1C)C[C@H](C)O2 ZINC001071195548 784713435 /nfs/dbraw/zinc/71/34/35/784713435.db2.gz ZGUJQRIEEHJNPC-LIRRHRJNSA-N 1 1 344.459 0.904 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cn1)C[C@H](C)O2 ZINC001071203972 784729113 /nfs/dbraw/zinc/72/91/13/784729113.db2.gz KRTKGCRUCSHCJG-HNAYVOBHSA-N 1 1 343.427 0.958 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ncccc1OC)C[C@H](C)O2 ZINC001071204856 784732049 /nfs/dbraw/zinc/73/20/49/784732049.db2.gz SPEORQVUGRWRNN-HNAYVOBHSA-N 1 1 343.427 0.958 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@@H](C)O2 ZINC001071208952 784739201 /nfs/dbraw/zinc/73/92/01/784739201.db2.gz BWBDCCNLXHTGSX-PXAZEXFGSA-N 1 1 330.388 0.052 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@@H](C)O2 ZINC001071211078 784744131 /nfs/dbraw/zinc/74/41/31/784744131.db2.gz BGJVQMAPGRAVNM-RDTXWAMCSA-N 1 1 329.400 0.324 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nn(C)c1OC)C[C@H](C)O2 ZINC001071216405 784756939 /nfs/dbraw/zinc/75/69/39/784756939.db2.gz PVBXWLQOFLYYEH-UGSOOPFHSA-N 1 1 346.431 0.676 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nn(C)c1OC)C[C@H](C)O2 ZINC001071216405 784756946 /nfs/dbraw/zinc/75/69/46/784756946.db2.gz PVBXWLQOFLYYEH-UGSOOPFHSA-N 1 1 346.431 0.676 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC=C)nn1)C[C@@H](C)O2 ZINC001071216863 784758376 /nfs/dbraw/zinc/75/83/76/784758376.db2.gz XITYAMQSTBWQRU-RHSMWYFYSA-N 1 1 329.404 0.403 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC=C)nn1)C[C@@H](C)O2 ZINC001071216863 784758384 /nfs/dbraw/zinc/75/83/84/784758384.db2.gz XITYAMQSTBWQRU-RHSMWYFYSA-N 1 1 329.404 0.403 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C(C)C)nn1)C[C@@H](C)O2 ZINC001071225111 784780273 /nfs/dbraw/zinc/78/02/73/784780273.db2.gz GCMMSUFTCAUHTD-PBHICJAKSA-N 1 1 331.420 0.798 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C(C)C)nn1)C[C@@H](C)O2 ZINC001071225111 784780282 /nfs/dbraw/zinc/78/02/82/784780282.db2.gz GCMMSUFTCAUHTD-PBHICJAKSA-N 1 1 331.420 0.798 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC3CC3)nn1)C[C@@H](C)O2 ZINC001071226086 784784485 /nfs/dbraw/zinc/78/44/85/784784485.db2.gz UWDDPEWQOREVML-RDTXWAMCSA-N 1 1 343.431 0.627 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC3CC3)nn1)C[C@@H](C)O2 ZINC001071226086 784784490 /nfs/dbraw/zinc/78/44/90/784784490.db2.gz UWDDPEWQOREVML-RDTXWAMCSA-N 1 1 343.431 0.627 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1nonc1C)C[C@@H](C)O2 ZINC001071227455 784786843 /nfs/dbraw/zinc/78/68/43/784786843.db2.gz FYCTZNBFMWOIOB-DYVFJYSZSA-N 1 1 332.404 0.636 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CCO)C3)C2)cn1 ZINC001071230900 784793991 /nfs/dbraw/zinc/79/39/91/784793991.db2.gz KYLPUAIUFAGGNZ-RDTXWAMCSA-N 1 1 329.400 0.361 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@@H](C)O2 ZINC001071233516 784797936 /nfs/dbraw/zinc/79/79/36/784797936.db2.gz KBJJBOMOUMSXDL-CXAGYDPISA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@@H](C)O2 ZINC001071233516 784797941 /nfs/dbraw/zinc/79/79/41/784797941.db2.gz KBJJBOMOUMSXDL-CXAGYDPISA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(=O)Nc1cc(C)on1)C[C@@H](C)O2 ZINC001071237644 784805409 /nfs/dbraw/zinc/80/54/09/784805409.db2.gz AXFQSBXEODBMDE-CXAGYDPISA-N 1 1 346.387 0.247 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCCCC1=O)C[C@H](C)O2 ZINC001071238533 784808079 /nfs/dbraw/zinc/80/80/79/784808079.db2.gz NVMMMWLWQNUZIC-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@@H](C)O2 ZINC001071241606 784817112 /nfs/dbraw/zinc/81/71/12/784817112.db2.gz XUSPLIGIUQAPAT-FZKQIMNGSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@H](C)O2 ZINC001071244533 784822774 /nfs/dbraw/zinc/82/27/74/784822774.db2.gz WOZOICVJYZSUDN-YJBOKZPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(C(N)=O)c1)C[C@H](C)O2 ZINC001071244541 784823356 /nfs/dbraw/zinc/82/33/56/784823356.db2.gz WQYLUMNFNPLVQZ-UGSOOPFHSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(C(N)=O)c1)C[C@H](C)O2 ZINC001071244541 784823364 /nfs/dbraw/zinc/82/33/64/784823364.db2.gz WQYLUMNFNPLVQZ-UGSOOPFHSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)C[C@H](C)O2 ZINC001071246595 784828172 /nfs/dbraw/zinc/82/81/72/784828172.db2.gz XXVOAGYLSIIXFO-UGSOOPFHSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)C[C@H](C)O2 ZINC001071246595 784828182 /nfs/dbraw/zinc/82/81/82/784828182.db2.gz XXVOAGYLSIIXFO-UGSOOPFHSA-N 1 1 342.399 0.119 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@@H](C)O2 ZINC001071248666 784832224 /nfs/dbraw/zinc/83/22/24/784832224.db2.gz PQJFEOZKECSILL-QAPCUYQASA-N 1 1 345.447 0.463 20 30 ECEDMO C#CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C(=O)C1 ZINC001071267567 784893424 /nfs/dbraw/zinc/89/34/24/784893424.db2.gz LSEGYARDXIUKME-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CCn1cncn1 ZINC001071414465 785062142 /nfs/dbraw/zinc/06/21/42/785062142.db2.gz TYLIGXHNWRTOMT-GXTWGEPZSA-N 1 1 327.392 0.761 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001071514783 785232232 /nfs/dbraw/zinc/23/22/32/785232232.db2.gz PBEUTYZIWUGWMI-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C ZINC001071859758 785232799 /nfs/dbraw/zinc/23/27/99/785232799.db2.gz DKLFWCKOBDNIIS-STQMWFEESA-N 1 1 334.420 0.243 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1C ZINC001071860945 785233612 /nfs/dbraw/zinc/23/36/12/785233612.db2.gz MWECEYRIQQLXQF-UONOGXRCSA-N 1 1 344.419 0.436 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001068763937 791096956 /nfs/dbraw/zinc/09/69/56/791096956.db2.gz FYPYABLALDDNFS-CABCVRRESA-N 1 1 333.432 0.226 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC001071622711 785408321 /nfs/dbraw/zinc/40/83/21/785408321.db2.gz MKMQNSPPAXPAOS-AAEUAGOBSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@H]1C ZINC001071645003 785440684 /nfs/dbraw/zinc/44/06/84/785440684.db2.gz FXJMJCGXOWSRAO-NEPJUHHUSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@H]1C ZINC001071645003 785440689 /nfs/dbraw/zinc/44/06/89/785440689.db2.gz FXJMJCGXOWSRAO-NEPJUHHUSA-N 1 1 339.417 0.533 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071660901 785469129 /nfs/dbraw/zinc/46/91/29/785469129.db2.gz CPLLNRYQLLAANR-QWHCGFSZSA-N 1 1 326.466 0.548 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1C ZINC001071990138 785487493 /nfs/dbraw/zinc/48/74/93/785487493.db2.gz VDFNHIPFYTULEL-VXGBXAGGSA-N 1 1 328.376 0.024 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)N3CCC3)C2)cn1 ZINC001072002124 785508640 /nfs/dbraw/zinc/50/86/40/785508640.db2.gz IXFORJXAWHUZKH-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001072002124 785508650 /nfs/dbraw/zinc/50/86/50/785508650.db2.gz IXFORJXAWHUZKH-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C ZINC001071685668 785519836 /nfs/dbraw/zinc/51/98/36/785519836.db2.gz GBQACNLMLLSYAU-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@H]1C ZINC001071689880 785528971 /nfs/dbraw/zinc/52/89/71/785528971.db2.gz QTDFHADSBYWZNS-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@H]1C ZINC001071701204 785554414 /nfs/dbraw/zinc/55/44/14/785554414.db2.gz FDCVVAXKGKCKRI-KGLIPLIRSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@H]1C ZINC001071702327 785555743 /nfs/dbraw/zinc/55/57/43/785555743.db2.gz XZDVKLUDLUHQKJ-CHWSQXEVSA-N 1 1 327.388 0.547 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@H]1C ZINC001071702327 785555748 /nfs/dbraw/zinc/55/57/48/785555748.db2.gz XZDVKLUDLUHQKJ-CHWSQXEVSA-N 1 1 327.388 0.547 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1C ZINC001072048719 785572310 /nfs/dbraw/zinc/57/23/10/785572310.db2.gz LTCVTDTWDAFFRD-CHWSQXEVSA-N 1 1 334.420 0.309 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@H]1C ZINC001071721211 785584197 /nfs/dbraw/zinc/58/41/97/785584197.db2.gz NLDOWZSAADXTAJ-CABCVRRESA-N 1 1 341.415 0.488 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@@H]1C ZINC001071724731 785593948 /nfs/dbraw/zinc/59/39/48/785593948.db2.gz LJHHVUJCACUASP-AAEUAGOBSA-N 1 1 342.407 0.300 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@@H]1C ZINC001072099051 785667925 /nfs/dbraw/zinc/66/79/25/785667925.db2.gz KPRFGQPYMMBIDE-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](C)C2)nn1 ZINC001072126699 785709364 /nfs/dbraw/zinc/70/93/64/785709364.db2.gz VTLGDJLIGBIEEU-KBPBESRZSA-N 1 1 348.451 0.383 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC001072283048 785968989 /nfs/dbraw/zinc/96/89/89/785968989.db2.gz NGJDWOONJORQMM-WFASDCNBSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)CSCC#N ZINC001072317617 786031141 /nfs/dbraw/zinc/03/11/41/786031141.db2.gz RRHIUFLAGQDMJK-GXTWGEPZSA-N 1 1 338.477 0.691 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1NC(=O)C#CC(C)(C)C ZINC001072389602 786121462 /nfs/dbraw/zinc/12/14/62/786121462.db2.gz FMOIDQFOTJCMRF-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001072394040 786127457 /nfs/dbraw/zinc/12/74/57/786127457.db2.gz VVZUWCQDSFYCAP-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072401247 786138267 /nfs/dbraw/zinc/13/82/67/786138267.db2.gz KPBFWPZIAGYJGY-WCQYABFASA-N 1 1 335.433 0.411 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CC[N@H+](C)CC)C2)nc1 ZINC001072465483 786223474 /nfs/dbraw/zinc/22/34/74/786223474.db2.gz VWGBRTBHDQFJCW-PBHICJAKSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C)nc1 ZINC001072479577 786248224 /nfs/dbraw/zinc/24/82/24/786248224.db2.gz YZBFDPVQBNLAGI-PBHICJAKSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cccn4C)C3)C2)C1=O ZINC001072479705 786249241 /nfs/dbraw/zinc/24/92/41/786249241.db2.gz BZCVALZILDRLIT-MRXNPFEDSA-N 1 1 342.443 0.960 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C)nn1 ZINC001072481591 786255773 /nfs/dbraw/zinc/25/57/73/786255773.db2.gz SPSFYEZLKCZHHT-KBPBESRZSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001074274174 786564019 /nfs/dbraw/zinc/56/40/19/786564019.db2.gz RVBIISKZARTXLG-LSDHHAIUSA-N 1 1 346.431 0.878 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001074274174 786564028 /nfs/dbraw/zinc/56/40/28/786564028.db2.gz RVBIISKZARTXLG-LSDHHAIUSA-N 1 1 346.431 0.878 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@H]21 ZINC001074321452 786669504 /nfs/dbraw/zinc/66/95/04/786669504.db2.gz KIFJIBAIWAQMHB-CABCVRRESA-N 1 1 347.415 0.799 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@H]21 ZINC001074321452 786669512 /nfs/dbraw/zinc/66/95/12/786669512.db2.gz KIFJIBAIWAQMHB-CABCVRRESA-N 1 1 347.415 0.799 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001073598356 786738270 /nfs/dbraw/zinc/73/82/70/786738270.db2.gz XACHMGAOLPJQJQ-CQSZACIVSA-N 1 1 337.424 0.321 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001073603790 786755399 /nfs/dbraw/zinc/75/53/99/786755399.db2.gz OOCGDYCVMUMZLV-ZFWWWQNUSA-N 1 1 347.419 0.156 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCOC)CCCO1 ZINC001073608607 786764147 /nfs/dbraw/zinc/76/41/47/786764147.db2.gz WKJOGFWEEGZKNZ-XHSDSOJGSA-N 1 1 326.437 0.821 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3cc[nH]c3)C2)C1=O ZINC001073618202 786781634 /nfs/dbraw/zinc/78/16/34/786781634.db2.gz XEDOSHKDELHTFR-HOTGVXAUSA-N 1 1 346.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)c3cc[nH]c3)C2)C1=O ZINC001073618202 786781638 /nfs/dbraw/zinc/78/16/38/786781638.db2.gz XEDOSHKDELHTFR-HOTGVXAUSA-N 1 1 346.431 0.622 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC001073620735 786787234 /nfs/dbraw/zinc/78/72/34/786787234.db2.gz MYPKQUMPZSJTJE-CYBMUJFWSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073630438 786814476 /nfs/dbraw/zinc/81/44/76/786814476.db2.gz VNDINTVBMRCSKR-GJZGRUSLSA-N 1 1 344.477 0.737 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073630438 786814487 /nfs/dbraw/zinc/81/44/87/786814487.db2.gz VNDINTVBMRCSKR-GJZGRUSLSA-N 1 1 344.477 0.737 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001073633968 786827181 /nfs/dbraw/zinc/82/71/81/786827181.db2.gz KJCAJCCHVGIPBA-LBPRGKRZSA-N 1 1 343.387 0.128 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001073633968 786827194 /nfs/dbraw/zinc/82/71/94/786827194.db2.gz KJCAJCCHVGIPBA-LBPRGKRZSA-N 1 1 343.387 0.128 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3ncccc23)C1 ZINC001073636993 786834871 /nfs/dbraw/zinc/83/48/71/786834871.db2.gz NEOYBFJMCZZVHJ-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001073645429 786861849 /nfs/dbraw/zinc/86/18/49/786861849.db2.gz MYWIYDLAERCAFC-HZPDHXFCSA-N 1 1 343.431 0.286 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001073645429 786861862 /nfs/dbraw/zinc/86/18/62/786861862.db2.gz MYWIYDLAERCAFC-HZPDHXFCSA-N 1 1 343.431 0.286 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001073645428 786862461 /nfs/dbraw/zinc/86/24/61/786862461.db2.gz MYWIYDLAERCAFC-HOTGVXAUSA-N 1 1 343.431 0.286 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001073645428 786862476 /nfs/dbraw/zinc/86/24/76/786862476.db2.gz MYWIYDLAERCAFC-HOTGVXAUSA-N 1 1 343.431 0.286 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnn2CCOC)C1 ZINC001073652277 786877923 /nfs/dbraw/zinc/87/79/23/786877923.db2.gz VHAMLCSNZUDWGA-HNNXBMFYSA-N 1 1 334.420 0.374 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001073668025 786920969 /nfs/dbraw/zinc/92/09/69/786920969.db2.gz UOLWWHFCDLKIRE-ZDUSSCGKSA-N 1 1 340.383 0.789 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001073668025 786920982 /nfs/dbraw/zinc/92/09/82/786920982.db2.gz UOLWWHFCDLKIRE-ZDUSSCGKSA-N 1 1 340.383 0.789 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]21 ZINC001074418039 786921267 /nfs/dbraw/zinc/92/12/67/786921267.db2.gz YMMRTRGSWXZCAO-CVEARBPZSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]21 ZINC001074418039 786921275 /nfs/dbraw/zinc/92/12/75/786921275.db2.gz YMMRTRGSWXZCAO-CVEARBPZSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC001073677933 786950297 /nfs/dbraw/zinc/95/02/97/786950297.db2.gz WSCOZHBEJGKABL-AWEZNQCLSA-N 1 1 332.404 0.510 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001073684353 786966982 /nfs/dbraw/zinc/96/69/82/786966982.db2.gz OOXZYRJAHSNPGR-HUUCEWRRSA-N 1 1 344.477 0.594 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3nccn3c2)C1 ZINC001073697484 786993358 /nfs/dbraw/zinc/99/33/58/786993358.db2.gz KLRMNQRZWDTZKP-HNNXBMFYSA-N 1 1 327.388 0.573 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001073703233 787007196 /nfs/dbraw/zinc/00/71/96/787007196.db2.gz JEOQRFMYEXBVPF-AWEZNQCLSA-N 1 1 334.420 0.567 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001073703640 787008111 /nfs/dbraw/zinc/00/81/11/787008111.db2.gz UQDTXKAAPRAFKF-JKSUJKDBSA-N 1 1 345.447 0.461 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001073708272 787017421 /nfs/dbraw/zinc/01/74/21/787017421.db2.gz HXUYNAYRDWOXCT-OAHLLOKOSA-N 1 1 345.403 0.926 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001073710208 787020835 /nfs/dbraw/zinc/02/08/35/787020835.db2.gz TZOSXWPCDCUTBK-JKSUJKDBSA-N 1 1 347.463 0.932 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001073727376 787070846 /nfs/dbraw/zinc/07/08/46/787070846.db2.gz XEVRQGVCPGPXPT-AWEZNQCLSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001073727376 787070850 /nfs/dbraw/zinc/07/08/50/787070850.db2.gz XEVRQGVCPGPXPT-AWEZNQCLSA-N 1 1 327.388 0.422 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073740136 787091086 /nfs/dbraw/zinc/09/10/86/787091086.db2.gz BWTZJBSZFSLCBY-IAGOWNOFSA-N 1 1 339.480 0.879 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073740136 787091092 /nfs/dbraw/zinc/09/10/92/787091092.db2.gz BWTZJBSZFSLCBY-IAGOWNOFSA-N 1 1 339.480 0.879 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 ZINC001073743302 787101310 /nfs/dbraw/zinc/10/13/10/787101310.db2.gz SAFNTECQKVWEST-CYBMUJFWSA-N 1 1 335.404 0.704 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)CSCC#N)[C@H](C)C1 ZINC001073745115 787108133 /nfs/dbraw/zinc/10/81/33/787108133.db2.gz VDZSUFFYHLWUQP-TZMCWYRMSA-N 1 1 349.460 0.802 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001073772772 787175162 /nfs/dbraw/zinc/17/51/62/787175162.db2.gz XWEXCKNMUGCATE-CYBMUJFWSA-N 1 1 333.388 0.640 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3cccnn32)C1 ZINC001073801443 787228988 /nfs/dbraw/zinc/22/89/88/787228988.db2.gz KZQDCUHXTVCGIH-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn(CCC=C)nn2)C1 ZINC001073813282 787246023 /nfs/dbraw/zinc/24/60/23/787246023.db2.gz UKHPIHFGXFJFQD-OAHLLOKOSA-N 1 1 331.420 0.698 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2-c2ccccc2)[C@@H]1C ZINC001074568564 787282080 /nfs/dbraw/zinc/28/20/80/787282080.db2.gz SIZGBTQXIYRASE-IPYPFGDCSA-N 1 1 339.403 0.901 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001073859628 787380054 /nfs/dbraw/zinc/38/00/54/787380054.db2.gz PFNJFGKBPAMDSJ-HNNXBMFYSA-N 1 1 330.432 0.992 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC#CC)CCCO1 ZINC001073861271 787385425 /nfs/dbraw/zinc/38/54/25/787385425.db2.gz ALNVLEQYQNSKHN-MRXNPFEDSA-N 1 1 341.411 0.938 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C)c1nnnn1C ZINC001074613631 787395601 /nfs/dbraw/zinc/39/56/01/787395601.db2.gz AVVSNIYZFUAILB-KWBADKCTSA-N 1 1 328.380 0.364 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001073874210 787417415 /nfs/dbraw/zinc/41/74/15/787417415.db2.gz WABCKOGAOHYYPW-AWEZNQCLSA-N 1 1 344.415 0.285 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001073878864 787423600 /nfs/dbraw/zinc/42/36/00/787423600.db2.gz VBQLIQIGABKFBX-INIZCTEOSA-N 1 1 342.403 0.669 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001073890713 787449613 /nfs/dbraw/zinc/44/96/13/787449613.db2.gz HWCKKQCQJHYZSR-AWEZNQCLSA-N 1 1 334.420 0.901 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001073891910 787453368 /nfs/dbraw/zinc/45/33/68/787453368.db2.gz VOGXUWFRMJTDKI-OAHLLOKOSA-N 1 1 341.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001073891910 787453373 /nfs/dbraw/zinc/45/33/73/787453373.db2.gz VOGXUWFRMJTDKI-OAHLLOKOSA-N 1 1 341.415 0.800 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001073893142 787456542 /nfs/dbraw/zinc/45/65/42/787456542.db2.gz LDIOMRVWLIVDQR-HNNXBMFYSA-N 1 1 332.404 0.577 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001073911271 787508809 /nfs/dbraw/zinc/50/88/09/787508809.db2.gz LLSHCMKFJJKKLR-OAHLLOKOSA-N 1 1 346.431 0.967 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](C)C1 ZINC001073955288 787578429 /nfs/dbraw/zinc/57/84/29/787578429.db2.gz TZIBWMXRVSGJBX-XJKSGUPXSA-N 1 1 328.416 0.958 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001073962335 787592917 /nfs/dbraw/zinc/59/29/17/787592917.db2.gz CXVGIMRPOXYCQT-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)CSCC#N)C[C@@H]1C ZINC001073972381 787612440 /nfs/dbraw/zinc/61/24/40/787612440.db2.gz WJNOVFWWFCJLOU-JSGCOSHPSA-N 1 1 349.460 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@H+](C)[C@H]2CCNC2=O)nc1 ZINC001074093161 787868555 /nfs/dbraw/zinc/86/85/55/787868555.db2.gz OASMSHBIGOHIAE-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nccnc3N)C[C@@H]21 ZINC001074194195 788022845 /nfs/dbraw/zinc/02/28/45/788022845.db2.gz GUZVUJOCTHBALZ-KBPBESRZSA-N 1 1 331.420 0.940 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3nccnc3N)C[C@@H]21 ZINC001074194195 788022852 /nfs/dbraw/zinc/02/28/52/788022852.db2.gz GUZVUJOCTHBALZ-KBPBESRZSA-N 1 1 331.420 0.940 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC2CC2)C3)[nH]1 ZINC001072635678 788476864 /nfs/dbraw/zinc/47/68/64/788476864.db2.gz UOZAEQRVQCVGRO-UHFFFAOYSA-N 1 1 327.388 0.313 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC2CC2)C3)[nH]1 ZINC001072635678 788476870 /nfs/dbraw/zinc/47/68/70/788476870.db2.gz UOZAEQRVQCVGRO-UHFFFAOYSA-N 1 1 327.388 0.313 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001074891722 788498469 /nfs/dbraw/zinc/49/84/69/788498469.db2.gz KMYBHEDAJJGTMN-HIFRSBDPSA-N 1 1 334.420 0.890 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4coc(C)n4)C3)C2)C1=O ZINC001072660769 788531534 /nfs/dbraw/zinc/53/15/34/788531534.db2.gz FQTNKVQOBVCFOF-HNNXBMFYSA-N 1 1 344.415 0.918 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CC4(F)F)C3)C2)C1=O ZINC001072704617 788621076 /nfs/dbraw/zinc/62/10/76/788621076.db2.gz BOOHBFWZAUSTCL-QWHCGFSZSA-N 1 1 339.386 0.963 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](C)C2)c1 ZINC001072706411 788624545 /nfs/dbraw/zinc/62/45/45/788624545.db2.gz MZDOCPLXJSXBOU-YOEHRIQHSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C)nn1 ZINC001072742715 788693167 /nfs/dbraw/zinc/69/31/67/788693167.db2.gz UHWIIWQZRLNVQS-UONOGXRCSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001075032043 788756999 /nfs/dbraw/zinc/75/69/99/788756999.db2.gz OBZHQIIEJNBMDE-HOTGVXAUSA-N 1 1 337.464 0.862 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC2(C1)CC[N@H+](CC(=O)N(C)C)C2 ZINC001072814906 788871905 /nfs/dbraw/zinc/87/19/05/788871905.db2.gz OZABJVLGIGRXJK-UHFFFAOYSA-N 1 1 330.432 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)C1 ZINC001072854161 788968666 /nfs/dbraw/zinc/96/86/66/788968666.db2.gz FQYXBKPAVQLIRD-NEPJUHHUSA-N 1 1 332.322 0.500 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC001072854683 788969684 /nfs/dbraw/zinc/96/96/84/788969684.db2.gz WXTDTPOZBXCXGP-UHFFFAOYSA-N 1 1 326.400 0.281 20 30 ECEDMO O=C(c1c[nH]c(=O)cn1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001072924568 789124165 /nfs/dbraw/zinc/12/41/65/789124165.db2.gz KEXHLDNYZNQSEQ-UHFFFAOYSA-N 1 1 348.406 0.970 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075264039 789134420 /nfs/dbraw/zinc/13/44/20/789134420.db2.gz XTYIRTZKTPHCAI-NEPJUHHUSA-N 1 1 342.407 0.298 20 30 ECEDMO NC(=O)C1(C(=O)N2CC3(C2)CC[N@@H+](CC#Cc2ccccc2)C3)CC1 ZINC001072935931 789135465 /nfs/dbraw/zinc/13/54/65/789135465.db2.gz JFOKBFMMHAOGBJ-UHFFFAOYSA-N 1 1 337.423 0.838 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2 ZINC001072999677 789254484 /nfs/dbraw/zinc/25/44/84/789254484.db2.gz KICWZPQHANBHLJ-ZNMIVQPWSA-N 1 1 335.448 0.589 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001073023991 789291940 /nfs/dbraw/zinc/29/19/40/789291940.db2.gz PFNWCGXULSXZPK-OAHLLOKOSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC001075444508 789374918 /nfs/dbraw/zinc/37/49/18/789374918.db2.gz CMOFNUKAPCCAND-HNNXBMFYSA-N 1 1 330.436 0.647 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)cc1 ZINC001073136200 789508475 /nfs/dbraw/zinc/50/84/75/789508475.db2.gz DFRHADVQUBTFMY-INIZCTEOSA-N 1 1 338.411 0.871 20 30 ECEDMO C=CC[N@@H+]1CCC2(CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001073150168 789531072 /nfs/dbraw/zinc/53/10/72/789531072.db2.gz NNTKMVAQLDAARR-AWEZNQCLSA-N 1 1 327.450 0.179 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)c1 ZINC001075658492 789624408 /nfs/dbraw/zinc/62/44/08/789624408.db2.gz FPMHCEKEEMSWKL-GOEBONIOSA-N 1 1 341.415 0.655 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3ccncc3C#N)C(C)(C)C2)C1 ZINC001069553509 789895166 /nfs/dbraw/zinc/89/51/66/789895166.db2.gz YCPPIIXEIDCRMY-HZPDHXFCSA-N 1 1 343.431 0.355 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3ccncc3C#N)C(C)(C)C2)C1 ZINC001069553509 789895172 /nfs/dbraw/zinc/89/51/72/789895172.db2.gz YCPPIIXEIDCRMY-HZPDHXFCSA-N 1 1 343.431 0.355 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](Nc3cncc(C#N)n3)C(C)(C)C2)C1 ZINC001069572605 789908680 /nfs/dbraw/zinc/90/86/80/789908680.db2.gz ZLTMAGHERDWGLT-GXTWGEPZSA-N 1 1 328.420 0.949 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](Nc3ccnc(C#N)n3)C(C)(C)C2)C1 ZINC001069578368 789914730 /nfs/dbraw/zinc/91/47/30/789914730.db2.gz UQVBOBUIAQCTMJ-UONOGXRCSA-N 1 1 342.447 0.761 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069743730 790002731 /nfs/dbraw/zinc/00/27/31/790002731.db2.gz ICOGYRGHADWEKU-UHFFFAOYSA-N 1 1 325.376 0.377 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069755521 790011949 /nfs/dbraw/zinc/01/19/49/790011949.db2.gz FZPOJZBZXASJPI-IYXRBSQSSA-N 1 1 328.420 0.513 20 30 ECEDMO Cc1cc(C#N)nc(N2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001069820333 790054343 /nfs/dbraw/zinc/05/43/43/790054343.db2.gz KSMLJPHTXUKLHN-OAHLLOKOSA-N 1 1 340.431 0.861 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(c2nccnc2C#N)CC1 ZINC001069830839 790064431 /nfs/dbraw/zinc/06/44/31/790064431.db2.gz HUCRBSIAHHHGLQ-HIFRSBDPSA-N 1 1 340.431 0.799 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCc2cccc(N3CC[C@H](NCC#N)C3)n2)C1 ZINC001069840598 790074238 /nfs/dbraw/zinc/07/42/38/790074238.db2.gz HQZDLGMBYWRBFX-HOCLYGCPSA-N 1 1 342.447 0.341 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)CC[N@H+]1C ZINC001069861593 790114438 /nfs/dbraw/zinc/11/44/38/790114438.db2.gz YLAYQOIQHPHPIC-LSDHHAIUSA-N 1 1 330.436 0.569 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CN(C)C(=O)N3)c2C1 ZINC001069869376 790128998 /nfs/dbraw/zinc/12/89/98/790128998.db2.gz JZCHOFNIVDOBPP-AWEZNQCLSA-N 1 1 346.435 0.305 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CN(C)C(=O)N3)c2C1 ZINC001069869376 790129004 /nfs/dbraw/zinc/12/90/04/790129004.db2.gz JZCHOFNIVDOBPP-AWEZNQCLSA-N 1 1 346.435 0.305 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)c2C1 ZINC001069873831 790135833 /nfs/dbraw/zinc/13/58/33/790135833.db2.gz WLSRQXXVAJQSJD-ZBFHGGJFSA-N 1 1 329.448 0.536 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001069904024 790173250 /nfs/dbraw/zinc/17/32/50/790173250.db2.gz CSDTYGFXTAWELF-CABCVRRESA-N 1 1 327.392 0.173 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001069904024 790173252 /nfs/dbraw/zinc/17/32/52/790173252.db2.gz CSDTYGFXTAWELF-CABCVRRESA-N 1 1 327.392 0.173 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)c1 ZINC001069907737 790176452 /nfs/dbraw/zinc/17/64/52/790176452.db2.gz LXHLJSNEMDVIKN-CABCVRRESA-N 1 1 325.376 0.543 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069914054 790182725 /nfs/dbraw/zinc/18/27/25/790182725.db2.gz PRADBYUYGRJDQI-CVEARBPZSA-N 1 1 331.420 0.933 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC=C)C[C@@H]1n1ccnn1 ZINC001069949215 790228886 /nfs/dbraw/zinc/22/88/86/790228886.db2.gz JZGMAXDOPHQYNE-IKGGRYGDSA-N 1 1 342.447 0.293 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](n2ccnn2)C1 ZINC001069949108 790229411 /nfs/dbraw/zinc/22/94/11/790229411.db2.gz CORRCFZLXNMSRR-OCCSQVGLSA-N 1 1 327.392 0.262 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](n2ccnn2)C1 ZINC001069949108 790229417 /nfs/dbraw/zinc/22/94/17/790229417.db2.gz CORRCFZLXNMSRR-OCCSQVGLSA-N 1 1 327.392 0.262 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068830648 791216244 /nfs/dbraw/zinc/21/62/44/791216244.db2.gz AXLARCFTWPJERL-HUUCEWRRSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068836109 791228035 /nfs/dbraw/zinc/22/80/35/791228035.db2.gz AXLARCFTWPJERL-CABCVRRESA-N 1 1 333.432 0.370 20 30 ECEDMO C[C@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068871046 791313963 /nfs/dbraw/zinc/31/39/63/791313963.db2.gz KWBSBHOYSMSJRK-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO CC#CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068973356 791530074 /nfs/dbraw/zinc/53/00/74/791530074.db2.gz SDPKQZOFOMKISJ-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](Nc2cncc(C#N)n2)C[C@H]1C ZINC001069107915 791708365 /nfs/dbraw/zinc/70/83/65/791708365.db2.gz UDFOBABHPUHKEJ-YPMHNXCESA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119570 791720868 /nfs/dbraw/zinc/72/08/68/791720868.db2.gz VKZQCOZUKQGYFF-KGLIPLIRSA-N 1 1 344.419 0.472 20 30 ECEDMO Cc1cc(N2C[C@@H](O)[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nc(C)[nH+]1 ZINC001067661076 791961908 /nfs/dbraw/zinc/96/19/08/791961908.db2.gz PMFPCOBYNKHQQT-DZGCQCFKSA-N 1 1 340.387 0.520 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3ncccc3C#N)C2)C1 ZINC001066675129 791966589 /nfs/dbraw/zinc/96/65/89/791966589.db2.gz BNDFSXCCKWFFNQ-GOEBONIOSA-N 1 1 343.431 0.934 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](CNc2ccncc2C#N)C1 ZINC001066675454 791966970 /nfs/dbraw/zinc/96/69/70/791966970.db2.gz KDIUBEZBBFFVNQ-HOCLYGCPSA-N 1 1 343.431 0.499 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](CNc2cnc(C#N)cn2)C1 ZINC001066675810 791970049 /nfs/dbraw/zinc/97/00/49/791970049.db2.gz UFFPDOOOOANQMK-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2ccnc(C)n2)C1 ZINC001066687202 791989796 /nfs/dbraw/zinc/98/97/96/791989796.db2.gz HXTXKQZZSAMKNQ-HOTGVXAUSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2ccnc(C)n2)C1 ZINC001066687202 791989800 /nfs/dbraw/zinc/98/98/00/791989800.db2.gz HXTXKQZZSAMKNQ-HOTGVXAUSA-N 1 1 343.431 0.522 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1nccnc1C#N ZINC001067762512 792245150 /nfs/dbraw/zinc/24/51/50/792245150.db2.gz BZWOZUWFNIXDHY-KBPBESRZSA-N 1 1 328.420 0.727 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccc(C#N)nc3)C2)C1 ZINC001067838610 792351594 /nfs/dbraw/zinc/35/15/94/792351594.db2.gz POEBIYMFHBABGS-MOQPWLNLSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccc(C#N)nc3)C2)C1 ZINC001067838610 792351604 /nfs/dbraw/zinc/35/16/04/792351604.db2.gz POEBIYMFHBABGS-MOQPWLNLSA-N 1 1 329.404 0.591 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(CNc3nccnc3C#N)C2)C1 ZINC001067889316 792428721 /nfs/dbraw/zinc/42/87/21/792428721.db2.gz VBAFXXLAFKAVMF-IYXRBSQSSA-N 1 1 328.420 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cc(C)n[nH]1 ZINC001066946372 792442682 /nfs/dbraw/zinc/44/26/82/792442682.db2.gz LVZVDWUTANRGHR-INIZCTEOSA-N 1 1 345.447 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cc(C)n[nH]1 ZINC001066946372 792442687 /nfs/dbraw/zinc/44/26/87/792442687.db2.gz LVZVDWUTANRGHR-INIZCTEOSA-N 1 1 345.447 0.736 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cc(C)[nH]n1 ZINC001066946372 792442695 /nfs/dbraw/zinc/44/26/95/792442695.db2.gz LVZVDWUTANRGHR-INIZCTEOSA-N 1 1 345.447 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cc(C)[nH]n1 ZINC001066946372 792442702 /nfs/dbraw/zinc/44/27/02/792442702.db2.gz LVZVDWUTANRGHR-INIZCTEOSA-N 1 1 345.447 0.736 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1C ZINC001067961119 792508228 /nfs/dbraw/zinc/50/82/28/792508228.db2.gz NIROENRRSOSPPP-GXTWGEPZSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001067008856 792563597 /nfs/dbraw/zinc/56/35/97/792563597.db2.gz AZWLAZFLFHBWND-SJORKVTESA-N 1 1 348.491 0.485 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001068112369 792691756 /nfs/dbraw/zinc/69/17/56/792691756.db2.gz PQOHDTPYOXZDOQ-AWEZNQCLSA-N 1 1 339.403 0.884 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1nccnc1C#N ZINC001067117172 792714998 /nfs/dbraw/zinc/71/49/98/792714998.db2.gz FJRLRSWUPIAXPP-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3F)C[C@H]21 ZINC001068208569 792830535 /nfs/dbraw/zinc/83/05/35/792830535.db2.gz NXJOUEJXGGCVAR-XQLPTFJDSA-N 1 1 343.406 0.512 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3F)C[C@H]21 ZINC001068208569 792830545 /nfs/dbraw/zinc/83/05/45/792830545.db2.gz NXJOUEJXGGCVAR-XQLPTFJDSA-N 1 1 343.406 0.512 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1C ZINC001067420467 793129118 /nfs/dbraw/zinc/12/91/18/793129118.db2.gz JNQVGVJYZUDHTA-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC001068399338 793217368 /nfs/dbraw/zinc/21/73/68/793217368.db2.gz YXOOOJISUXVAJC-UHFFFAOYSA-N 1 1 346.431 0.988 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001068420788 793280851 /nfs/dbraw/zinc/28/08/51/793280851.db2.gz VPXYEFNQROBFSV-UHFFFAOYSA-N 1 1 349.475 0.818 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068435001 793308853 /nfs/dbraw/zinc/30/88/53/793308853.db2.gz KIGBPWRFQYVSQG-JKSUJKDBSA-N 1 1 349.475 0.980 20 30 ECEDMO CC#CCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068436848 793312225 /nfs/dbraw/zinc/31/22/25/793312225.db2.gz RUGNOPKMTGFCNM-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267466025 837471163 /nfs/dbraw/zinc/47/11/63/837471163.db2.gz LBGCQAUUKKOQLG-KGLIPLIRSA-N 1 1 331.420 0.492 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267466025 837471165 /nfs/dbraw/zinc/47/11/65/837471165.db2.gz LBGCQAUUKKOQLG-KGLIPLIRSA-N 1 1 331.420 0.492 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001267500540 837575421 /nfs/dbraw/zinc/57/54/21/837575421.db2.gz FYYRPXCCLQCZPI-GFCCVEGCSA-N 1 1 336.823 0.859 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2oc(C)nc2C)C1 ZINC001267514384 837607750 /nfs/dbraw/zinc/60/77/50/837607750.db2.gz VHJXPEBUVSPIGH-AWEZNQCLSA-N 1 1 332.404 0.483 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(C)C ZINC001267531991 837705651 /nfs/dbraw/zinc/70/56/51/837705651.db2.gz GOCBTKVMPXKGJV-BBWFWOEESA-N 1 1 346.475 0.284 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(C)C ZINC001267531991 837705657 /nfs/dbraw/zinc/70/56/57/837705657.db2.gz GOCBTKVMPXKGJV-BBWFWOEESA-N 1 1 346.475 0.284 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001267544136 837731818 /nfs/dbraw/zinc/73/18/18/837731818.db2.gz JEBQDGJTRAWSQF-SJORKVTESA-N 1 1 344.459 0.924 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2scnc2CC)C1 ZINC001267558608 837767819 /nfs/dbraw/zinc/76/78/19/837767819.db2.gz CRJGVKLERJCLJO-CYBMUJFWSA-N 1 1 348.472 0.897 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2nonc2C)C1 ZINC001267569502 837795758 /nfs/dbraw/zinc/79/57/58/837795758.db2.gz WFIVWTAJIGTILY-CYBMUJFWSA-N 1 1 335.408 0.051 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC001266275341 835599157 /nfs/dbraw/zinc/59/91/57/835599157.db2.gz VUCHARDIFWPKPT-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC001266275341 835599160 /nfs/dbraw/zinc/59/91/60/835599160.db2.gz VUCHARDIFWPKPT-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cc(-n3cccn3)ccn2)CC1 ZINC001266292759 835637511 /nfs/dbraw/zinc/63/75/11/835637511.db2.gz UBUVBQPENKMYAR-UHFFFAOYSA-N 1 1 338.415 0.248 20 30 ECEDMO C#CCCN1CCN(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001266297914 835650028 /nfs/dbraw/zinc/65/00/28/835650028.db2.gz XMQXHNLGULSFAW-MSOLQXFVSA-N 1 1 334.508 0.864 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001266302803 835665456 /nfs/dbraw/zinc/66/54/56/835665456.db2.gz VAKOJQVJUZDMEE-DZGCQCFKSA-N 1 1 338.452 0.126 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001266302803 835665462 /nfs/dbraw/zinc/66/54/62/835665462.db2.gz VAKOJQVJUZDMEE-DZGCQCFKSA-N 1 1 338.452 0.126 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1c(C)nn(C)c1C ZINC001266304061 835667174 /nfs/dbraw/zinc/66/71/74/835667174.db2.gz GMEPIGFVQSGQGM-CQSZACIVSA-N 1 1 335.452 0.318 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1c(C)nn(C)c1C ZINC001266304061 835667178 /nfs/dbraw/zinc/66/71/78/835667178.db2.gz GMEPIGFVQSGQGM-CQSZACIVSA-N 1 1 335.452 0.318 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)C1CCN(C(=O)C(C)C)CC1 ZINC001266306304 835670281 /nfs/dbraw/zinc/67/02/81/835670281.db2.gz LLBPGSUASQYDRI-UHFFFAOYSA-N 1 1 337.464 0.579 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001266314936 835681711 /nfs/dbraw/zinc/68/17/11/835681711.db2.gz MQNPPCQKAOOKTG-QWHCGFSZSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001266314936 835681715 /nfs/dbraw/zinc/68/17/15/835681715.db2.gz MQNPPCQKAOOKTG-QWHCGFSZSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCOCCCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001266314935 835682195 /nfs/dbraw/zinc/68/21/95/835682195.db2.gz MQNPPCQKAOOKTG-OLZOCXBDSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCOCCCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001266314935 835682199 /nfs/dbraw/zinc/68/21/99/835682199.db2.gz MQNPPCQKAOOKTG-OLZOCXBDSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001266319467 835689037 /nfs/dbraw/zinc/68/90/37/835689037.db2.gz MJMGYCXJCVUDHB-GJZGRUSLSA-N 1 1 342.443 0.994 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001266319467 835689040 /nfs/dbraw/zinc/68/90/40/835689040.db2.gz MJMGYCXJCVUDHB-GJZGRUSLSA-N 1 1 342.443 0.994 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001266320884 835692843 /nfs/dbraw/zinc/69/28/43/835692843.db2.gz IBGOHUPVPKWLAI-CHWSQXEVSA-N 1 1 331.420 0.324 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001266320884 835692846 /nfs/dbraw/zinc/69/28/46/835692846.db2.gz IBGOHUPVPKWLAI-CHWSQXEVSA-N 1 1 331.420 0.324 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)CCn1c(C)csc1=O ZINC001266328690 835710481 /nfs/dbraw/zinc/71/04/81/835710481.db2.gz MXDSEAWKWMWWAE-KGLIPLIRSA-N 1 1 339.461 0.857 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001266333627 835716377 /nfs/dbraw/zinc/71/63/77/835716377.db2.gz QWMGUDOHEIUCLX-OAHLLOKOSA-N 1 1 342.403 0.669 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cnc3cccnn32)C1=O ZINC001266335337 835718222 /nfs/dbraw/zinc/71/82/22/835718222.db2.gz RPFWOODYAUDXKP-CYBMUJFWSA-N 1 1 342.403 0.178 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cnc3cccnn32)C1=O ZINC001266335337 835718227 /nfs/dbraw/zinc/71/82/27/835718227.db2.gz RPFWOODYAUDXKP-CYBMUJFWSA-N 1 1 342.403 0.178 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCCF)C1 ZINC001266335978 835719106 /nfs/dbraw/zinc/71/91/06/835719106.db2.gz HWQPAOKVSDJONJ-NWDGAFQWSA-N 1 1 328.388 0.327 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCCF)C1 ZINC001266335978 835719109 /nfs/dbraw/zinc/71/91/09/835719109.db2.gz HWQPAOKVSDJONJ-NWDGAFQWSA-N 1 1 328.388 0.327 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCOC1)C2 ZINC001279212598 835723161 /nfs/dbraw/zinc/72/31/61/835723161.db2.gz BDEHNOYTHAMJIW-LVQVYYBASA-N 1 1 335.448 0.684 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1=O ZINC001266340104 835726003 /nfs/dbraw/zinc/72/60/03/835726003.db2.gz KECYEONRQFOYPL-SWLSCSKDSA-N 1 1 347.463 0.965 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1=O ZINC001266340104 835726004 /nfs/dbraw/zinc/72/60/04/835726004.db2.gz KECYEONRQFOYPL-SWLSCSKDSA-N 1 1 347.463 0.965 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001266341269 835727359 /nfs/dbraw/zinc/72/73/59/835727359.db2.gz DEPWTLMQCJMBAM-OAHLLOKOSA-N 1 1 339.399 0.721 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001266341269 835727361 /nfs/dbraw/zinc/72/73/61/835727361.db2.gz DEPWTLMQCJMBAM-OAHLLOKOSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOC2CCOCC2)C1 ZINC001266353413 835754985 /nfs/dbraw/zinc/75/49/85/835754985.db2.gz VEAOVQYZDCOXBF-CQSZACIVSA-N 1 1 339.436 0.065 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOC2CCOCC2)C1 ZINC001266353413 835754990 /nfs/dbraw/zinc/75/49/90/835754990.db2.gz VEAOVQYZDCOXBF-CQSZACIVSA-N 1 1 339.436 0.065 20 30 ECEDMO Cn1cc(C(=O)NCC[N@H+](C)CC#Cc2ccc(F)cc2)n(C)c1=O ZINC001266365199 835776994 /nfs/dbraw/zinc/77/69/94/835776994.db2.gz RGQQZUCWLXPBMC-UHFFFAOYSA-N 1 1 344.390 0.576 20 30 ECEDMO Cn1cc(C(=O)NCC[N@@H+](C)CC#Cc2ccc(F)cc2)n(C)c1=O ZINC001266365199 835776999 /nfs/dbraw/zinc/77/69/99/835776999.db2.gz RGQQZUCWLXPBMC-UHFFFAOYSA-N 1 1 344.390 0.576 20 30 ECEDMO Cc1c(C(=O)N[C@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)ccn1C ZINC001266377001 835788051 /nfs/dbraw/zinc/78/80/51/835788051.db2.gz MWMHFCAZBJPODL-HNNXBMFYSA-N 1 1 343.431 0.558 20 30 ECEDMO CC[N@@H+](CCNC(=O)[C@H](C)C#N)CCN1C(=O)c2ccccc2C1=O ZINC001266380052 835791368 /nfs/dbraw/zinc/79/13/68/835791368.db2.gz GKQFVZKTAQEIKQ-CYBMUJFWSA-N 1 1 342.399 0.880 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001266385891 835795265 /nfs/dbraw/zinc/79/52/65/835795265.db2.gz LQSKDLHZAWDJNB-OAHLLOKOSA-N 1 1 329.404 0.725 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001266399311 835806679 /nfs/dbraw/zinc/80/66/79/835806679.db2.gz QXROZUOEBMZLDG-CYBMUJFWSA-N 1 1 341.415 0.753 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001266399311 835806686 /nfs/dbraw/zinc/80/66/86/835806686.db2.gz QXROZUOEBMZLDG-CYBMUJFWSA-N 1 1 341.415 0.753 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001266399519 835807112 /nfs/dbraw/zinc/80/71/12/835807112.db2.gz YTSINCVKEXGCCD-OAHLLOKOSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001266399519 835807120 /nfs/dbraw/zinc/80/71/20/835807120.db2.gz YTSINCVKEXGCCD-OAHLLOKOSA-N 1 1 347.463 0.494 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1n[nH]c2c1CCCC2 ZINC001266401146 835809095 /nfs/dbraw/zinc/80/90/95/835809095.db2.gz ZCTNNRFOAUZVJF-CYBMUJFWSA-N 1 1 345.447 0.478 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1n[nH]c2c1CCCC2 ZINC001266401146 835809099 /nfs/dbraw/zinc/80/90/99/835809099.db2.gz ZCTNNRFOAUZVJF-CYBMUJFWSA-N 1 1 345.447 0.478 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001266429160 835833997 /nfs/dbraw/zinc/83/39/97/835833997.db2.gz ZMGVEDWSSWJLAZ-ZIAGYGMSSA-N 1 1 345.447 0.091 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001266429160 835834004 /nfs/dbraw/zinc/83/40/04/835834004.db2.gz ZMGVEDWSSWJLAZ-ZIAGYGMSSA-N 1 1 345.447 0.091 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)Cn1c(C)c(C)sc1=O ZINC001266440154 835844360 /nfs/dbraw/zinc/84/43/60/835844360.db2.gz ITOIZWODYGKUSN-UHFFFAOYSA-N 1 1 339.461 0.615 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C=C(C)C ZINC001266446168 835849844 /nfs/dbraw/zinc/84/98/44/835849844.db2.gz BQZKNYOMUWTEDU-UONOGXRCSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C=C(C)C ZINC001266446168 835849849 /nfs/dbraw/zinc/84/98/49/835849849.db2.gz BQZKNYOMUWTEDU-UONOGXRCSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 ZINC001266451357 835854345 /nfs/dbraw/zinc/85/43/45/835854345.db2.gz COPCMSDSNDXRBU-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001266452734 835856026 /nfs/dbraw/zinc/85/60/26/835856026.db2.gz QKRDSDDZOBCKEN-ZDUSSCGKSA-N 1 1 345.403 0.211 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)Cc2cc(C)on2)C1=O ZINC001266453471 835856429 /nfs/dbraw/zinc/85/64/29/835856429.db2.gz GCIWRBOZSZGBCL-HZPDHXFCSA-N 1 1 346.431 0.893 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001266456158 835858835 /nfs/dbraw/zinc/85/88/35/835858835.db2.gz RFDMBTNTKHVSLG-KBPBESRZSA-N 1 1 333.436 0.884 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC001266471141 835875167 /nfs/dbraw/zinc/87/51/67/835875167.db2.gz JAHRTIOBVHGANV-UKRRQHHQSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC001266471141 835875168 /nfs/dbraw/zinc/87/51/68/835875168.db2.gz JAHRTIOBVHGANV-UKRRQHHQSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001266477781 835879954 /nfs/dbraw/zinc/87/99/54/835879954.db2.gz VIBXFJXZPXPOCL-CQSZACIVSA-N 1 1 330.432 0.911 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001266477781 835879959 /nfs/dbraw/zinc/87/99/59/835879959.db2.gz VIBXFJXZPXPOCL-CQSZACIVSA-N 1 1 330.432 0.911 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001266488830 835888314 /nfs/dbraw/zinc/88/83/14/835888314.db2.gz QHRYLSJXMKSNJG-DZGCQCFKSA-N 1 1 345.447 0.397 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001266488830 835888319 /nfs/dbraw/zinc/88/83/19/835888319.db2.gz QHRYLSJXMKSNJG-DZGCQCFKSA-N 1 1 345.447 0.397 20 30 ECEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)CCOCC1 ZINC001266491998 835891755 /nfs/dbraw/zinc/89/17/55/835891755.db2.gz FVPLUKWPPQGYRH-HUUCEWRRSA-N 1 1 335.448 0.828 20 30 ECEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCNC2=O)CCOCC1 ZINC001266491998 835891760 /nfs/dbraw/zinc/89/17/60/835891760.db2.gz FVPLUKWPPQGYRH-HUUCEWRRSA-N 1 1 335.448 0.828 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC001266495638 835895738 /nfs/dbraw/zinc/89/57/38/835895738.db2.gz QGJSECSBCFQXGL-CYBMUJFWSA-N 1 1 335.429 0.691 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC001266495638 835895742 /nfs/dbraw/zinc/89/57/42/835895742.db2.gz QGJSECSBCFQXGL-CYBMUJFWSA-N 1 1 335.429 0.691 20 30 ECEDMO CS(=O)(=O)CCC[N@@H+]1CC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266500220 835900664 /nfs/dbraw/zinc/90/06/64/835900664.db2.gz NTUBQBHQCGNSLY-LBPRGKRZSA-N 1 1 333.479 0.116 20 30 ECEDMO CS(=O)(=O)CCC[N@H+]1CC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266500220 835900673 /nfs/dbraw/zinc/90/06/73/835900673.db2.gz NTUBQBHQCGNSLY-LBPRGKRZSA-N 1 1 333.479 0.116 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C[C@@H](C)OC)C2)CC1 ZINC001266502007 835903068 /nfs/dbraw/zinc/90/30/68/835903068.db2.gz RVHFBMHEFDLKQN-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001266512045 835920791 /nfs/dbraw/zinc/92/07/91/835920791.db2.gz WRVOVXHBHLGHHZ-DYVFJYSZSA-N 1 1 334.420 0.750 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001266512045 835920795 /nfs/dbraw/zinc/92/07/95/835920795.db2.gz WRVOVXHBHLGHHZ-DYVFJYSZSA-N 1 1 334.420 0.750 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001266513711 835924482 /nfs/dbraw/zinc/92/44/82/835924482.db2.gz FTVWFMIBZWPJRG-AWEZNQCLSA-N 1 1 328.478 0.909 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001266513711 835924484 /nfs/dbraw/zinc/92/44/84/835924484.db2.gz FTVWFMIBZWPJRG-AWEZNQCLSA-N 1 1 328.478 0.909 20 30 ECEDMO C[C@H](C[N@H+]1CC[C@H](CNC(=O)C#CC2CC2)C1)CS(C)(=O)=O ZINC001266514535 835926047 /nfs/dbraw/zinc/92/60/47/835926047.db2.gz RXIYZIDURUVQOY-UKRRQHHQSA-N 1 1 326.462 0.519 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2cc(C3CC3)no2)C1 ZINC001266516701 835927343 /nfs/dbraw/zinc/92/73/43/835927343.db2.gz BCXOPGVNZTWODA-CYBMUJFWSA-N 1 1 346.431 0.835 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001266518339 835930723 /nfs/dbraw/zinc/93/07/23/835930723.db2.gz YZWSTBWIAZSUCV-KBPBESRZSA-N 1 1 345.447 0.572 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cncn2C)C1 ZINC001266520348 835933634 /nfs/dbraw/zinc/93/36/34/835933634.db2.gz LLMQHAMMYYCCNL-HNNXBMFYSA-N 1 1 345.447 0.672 20 30 ECEDMO CCCN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC#CCOC)C2)CC1=O ZINC001266537110 835955203 /nfs/dbraw/zinc/95/52/03/835955203.db2.gz FIEURLCWOTWRKS-JKSUJKDBSA-N 1 1 335.448 0.333 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001266540081 835960932 /nfs/dbraw/zinc/96/09/32/835960932.db2.gz OGOYYNOWILNLJP-SJLPKXTDSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnoc2C2CC2)C1 ZINC001266540176 835961177 /nfs/dbraw/zinc/96/11/77/835961177.db2.gz QSUOXTIHAAMQNF-STQMWFEESA-N 1 1 344.415 0.742 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001266540247 835962019 /nfs/dbraw/zinc/96/20/19/835962019.db2.gz SEXLLNMMYCFOFE-AWEZNQCLSA-N 1 1 333.436 0.395 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2cnn(CC)c2)C1 ZINC001266544747 835966729 /nfs/dbraw/zinc/96/67/29/835966729.db2.gz IFYVOPCEPAUNLK-CABCVRRESA-N 1 1 347.463 0.574 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](OC)C2CCCC2)C1 ZINC001266546784 835968051 /nfs/dbraw/zinc/96/80/51/835968051.db2.gz XCCMHEAPAVGLEO-WMLDXEAASA-N 1 1 335.448 0.379 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cncnc2C(C)C)C1 ZINC001266548466 835971266 /nfs/dbraw/zinc/97/12/66/835971266.db2.gz ATCIFCXFBIRQGE-AWEZNQCLSA-N 1 1 345.447 0.954 20 30 ECEDMO C=C[C@@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)c1ccccc1 ZINC001266549316 835972847 /nfs/dbraw/zinc/97/28/47/835972847.db2.gz SMBSTTRUDUFLCM-UKRRQHHQSA-N 1 1 344.415 0.589 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](CCC)CC(=O)N2CCC2)c1 ZINC001266571066 836002096 /nfs/dbraw/zinc/00/20/96/836002096.db2.gz GHGFYKAJLCUBKJ-UHFFFAOYSA-N 1 1 328.416 0.737 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CCC)CC(=O)N2CCC2)c1 ZINC001266571066 836002107 /nfs/dbraw/zinc/00/21/07/836002107.db2.gz GHGFYKAJLCUBKJ-UHFFFAOYSA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCCN(CCC)Cc2n[nH]c(C)n2)CC1 ZINC001266578974 836008657 /nfs/dbraw/zinc/00/86/57/836008657.db2.gz DLRGHJLNKCEFSP-UHFFFAOYSA-N 1 1 346.479 0.787 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCNC(=O)c2cccc(=O)[nH]2)C2CC2)C1=O ZINC001266588633 836018404 /nfs/dbraw/zinc/01/84/04/836018404.db2.gz UUMFLWWOTMFBJG-HNNXBMFYSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCNC(=O)c2cccc(=O)[nH]2)C2CC2)C1=O ZINC001266588633 836018409 /nfs/dbraw/zinc/01/84/09/836018409.db2.gz UUMFLWWOTMFBJG-HNNXBMFYSA-N 1 1 344.415 0.768 20 30 ECEDMO CC(C)C#CC(=O)NCC[N@H+](CC(=O)NC1CCOCC1)C1CC1 ZINC001266590969 836022314 /nfs/dbraw/zinc/02/23/14/836022314.db2.gz UZSXJZKBMTYDGJ-UHFFFAOYSA-N 1 1 335.448 0.522 20 30 ECEDMO CC(C)C#CC(=O)NCC[N@@H+](CC(=O)NC1CCOCC1)C1CC1 ZINC001266590969 836022328 /nfs/dbraw/zinc/02/23/28/836022328.db2.gz UZSXJZKBMTYDGJ-UHFFFAOYSA-N 1 1 335.448 0.522 20 30 ECEDMO CN(CC[N@H+](CCNC(=O)C#CC(C)(C)C)C1CC1)S(C)(=O)=O ZINC001266592068 836023577 /nfs/dbraw/zinc/02/35/77/836023577.db2.gz HRLDCTLGAQXNQG-UHFFFAOYSA-N 1 1 343.493 0.508 20 30 ECEDMO CN(CC[N@@H+](CCNC(=O)C#CC(C)(C)C)C1CC1)S(C)(=O)=O ZINC001266592068 836023593 /nfs/dbraw/zinc/02/35/93/836023593.db2.gz HRLDCTLGAQXNQG-UHFFFAOYSA-N 1 1 343.493 0.508 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccon2)C1 ZINC001266655519 836090929 /nfs/dbraw/zinc/09/09/29/836090929.db2.gz ANXUWPFCCNTEPL-UKRRQHHQSA-N 1 1 332.404 0.903 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cncn2C)C1 ZINC001266659096 836096117 /nfs/dbraw/zinc/09/61/17/836096117.db2.gz MEZWQZHWTZGEMJ-HOTGVXAUSA-N 1 1 330.432 0.996 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nonc2C)C1 ZINC001266663568 836100826 /nfs/dbraw/zinc/10/08/26/836100826.db2.gz OSVKLPRVGWODCS-ZIAGYGMSSA-N 1 1 345.403 0.054 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ncccn2)C1 ZINC001266664146 836101380 /nfs/dbraw/zinc/10/13/80/836101380.db2.gz VSZAPRVWMWGYNP-LSDHHAIUSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CCOCCC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cnc(C)o2)C1 ZINC001279479914 836146055 /nfs/dbraw/zinc/14/60/55/836146055.db2.gz MTPKHHPQQZRJDZ-QGZVFWFLSA-N 1 1 335.404 0.466 20 30 ECEDMO C#CCOCCC(=O)N[C@]1(CO)CCC[N@H+](Cc2cnc(C)o2)C1 ZINC001279479914 836146060 /nfs/dbraw/zinc/14/60/60/836146060.db2.gz MTPKHHPQQZRJDZ-QGZVFWFLSA-N 1 1 335.404 0.466 20 30 ECEDMO CCCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)CSCC#N)C1 ZINC001266740718 836222284 /nfs/dbraw/zinc/22/22/84/836222284.db2.gz XNJFUHHBVNREMD-CYBMUJFWSA-N 1 1 326.466 0.598 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001266747000 836232432 /nfs/dbraw/zinc/23/24/32/836232432.db2.gz LHQQTYZDDATAGJ-GFCCVEGCSA-N 1 1 333.367 0.302 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001266747000 836232438 /nfs/dbraw/zinc/23/24/38/836232438.db2.gz LHQQTYZDDATAGJ-GFCCVEGCSA-N 1 1 333.367 0.302 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001266746197 836232500 /nfs/dbraw/zinc/23/25/00/836232500.db2.gz DBGMOYWVMJYPOK-KGLIPLIRSA-N 1 1 341.415 0.466 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCc2ccoc2)C1 ZINC001266747389 836234501 /nfs/dbraw/zinc/23/45/01/836234501.db2.gz QQWBFZKUSZMPNN-OAHLLOKOSA-N 1 1 332.404 0.680 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCc2ccoc2)C1 ZINC001266747389 836234508 /nfs/dbraw/zinc/23/45/08/836234508.db2.gz QQWBFZKUSZMPNN-OAHLLOKOSA-N 1 1 332.404 0.680 20 30 ECEDMO COCCOCC[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001266747753 836235045 /nfs/dbraw/zinc/23/50/45/836235045.db2.gz WPJSRVJJQAKCDX-CQSZACIVSA-N 1 1 334.420 0.991 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CCC[N@H+]([C@H]2CCN(CC=C)C2=O)C1 ZINC001266749262 836237324 /nfs/dbraw/zinc/23/73/24/836237324.db2.gz GHNPUVJXRPDHGW-SJORKVTESA-N 1 1 347.459 0.641 20 30 ECEDMO COCC#CCN1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266750351 836241528 /nfs/dbraw/zinc/24/15/28/836241528.db2.gz VGOYNHILMWWBDD-SJLPKXTDSA-N 1 1 333.476 0.806 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C2(COCC)CC2)C1 ZINC001266754382 836246964 /nfs/dbraw/zinc/24/69/64/836246964.db2.gz BPZIWIVJLBGRLI-HNNXBMFYSA-N 1 1 335.448 0.381 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001266758760 836255229 /nfs/dbraw/zinc/25/52/29/836255229.db2.gz ZTGLVJPLQIWJHF-ZDUSSCGKSA-N 1 1 347.419 0.235 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2cnoc2CC)C1 ZINC001266764345 836268273 /nfs/dbraw/zinc/26/82/73/836268273.db2.gz PHONCGSJEUJTOI-ZIAGYGMSSA-N 1 1 346.431 0.817 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001266765076 836269840 /nfs/dbraw/zinc/26/98/40/836269840.db2.gz YNCDVAKEHKYURL-OAHLLOKOSA-N 1 1 346.435 0.030 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC001266842664 836368886 /nfs/dbraw/zinc/36/88/86/836368886.db2.gz RWTGBXRIOVYBOB-CQSZACIVSA-N 1 1 348.447 0.558 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001266842999 836369479 /nfs/dbraw/zinc/36/94/79/836369479.db2.gz YUWGZHVTCWEHAH-DLBZAZTESA-N 1 1 349.475 0.913 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001266856627 836392885 /nfs/dbraw/zinc/39/28/85/836392885.db2.gz VNSLNADVELWOIF-LBPRGKRZSA-N 1 1 347.419 0.000 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001266856627 836392897 /nfs/dbraw/zinc/39/28/97/836392897.db2.gz VNSLNADVELWOIF-LBPRGKRZSA-N 1 1 347.419 0.000 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001266859662 836397021 /nfs/dbraw/zinc/39/70/21/836397021.db2.gz NGXAKGWEMMRGEX-CYBMUJFWSA-N 1 1 326.441 0.213 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(CC)[nH]n1 ZINC001266861297 836401359 /nfs/dbraw/zinc/40/13/59/836401359.db2.gz WKXGMMYQBNEHNF-AWEZNQCLSA-N 1 1 331.420 0.306 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001266891372 836439737 /nfs/dbraw/zinc/43/97/37/836439737.db2.gz ORTHQCWONTUKGO-TZMCWYRMSA-N 1 1 334.420 0.904 20 30 ECEDMO C[C@H](NC(=O)C(N)=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001266895904 836446903 /nfs/dbraw/zinc/44/69/03/836446903.db2.gz UUHDWWDALBURLU-SMDDNHRTSA-N 1 1 332.379 0.899 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001266896676 836447507 /nfs/dbraw/zinc/44/75/07/836447507.db2.gz FJMIVAWZHXDYMP-ZIAGYGMSSA-N 1 1 336.436 0.721 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CCC(C)CC3)C[C@H]21 ZINC001266899349 836452721 /nfs/dbraw/zinc/45/27/21/836452721.db2.gz XGQVLUBKADTJBM-DOBOIRFDSA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CCC(C)CC3)C[C@H]21 ZINC001266899349 836452724 /nfs/dbraw/zinc/45/27/24/836452724.db2.gz XGQVLUBKADTJBM-DOBOIRFDSA-N 1 1 349.475 0.930 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC001266949650 836515067 /nfs/dbraw/zinc/51/50/67/836515067.db2.gz JIXCERRDIJAIJM-CABCVRRESA-N 1 1 346.479 0.725 20 30 ECEDMO C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC001267081613 836727792 /nfs/dbraw/zinc/72/77/92/836727792.db2.gz PWSVVRSHOFKIDT-LBPRGKRZSA-N 1 1 348.285 0.911 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001267086920 836735679 /nfs/dbraw/zinc/73/56/79/836735679.db2.gz CFWKRHYFASMSRQ-KGLIPLIRSA-N 1 1 346.435 0.636 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001267086920 836735688 /nfs/dbraw/zinc/73/56/88/836735688.db2.gz CFWKRHYFASMSRQ-KGLIPLIRSA-N 1 1 346.435 0.636 20 30 ECEDMO CCCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001267101027 836772450 /nfs/dbraw/zinc/77/24/50/836772450.db2.gz OUCCFMLSHWYDEU-CYBMUJFWSA-N 1 1 326.466 0.692 20 30 ECEDMO CCCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001267101027 836772455 /nfs/dbraw/zinc/77/24/55/836772455.db2.gz OUCCFMLSHWYDEU-CYBMUJFWSA-N 1 1 326.466 0.692 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@H]([N@H+](C)CC(=O)N(C)CC2CC2)C1 ZINC001267105677 836784121 /nfs/dbraw/zinc/78/41/21/836784121.db2.gz LHKVJENTUUCZQM-RDJZCZTQSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)N(C)CC2CC2)C1 ZINC001267105677 836784124 /nfs/dbraw/zinc/78/41/24/836784124.db2.gz LHKVJENTUUCZQM-RDJZCZTQSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2ccn(C)n2)C1 ZINC001267105991 836786066 /nfs/dbraw/zinc/78/60/66/836786066.db2.gz NQARGUFPWQSUPB-GOEBONIOSA-N 1 1 345.447 0.023 20 30 ECEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001267108239 836791019 /nfs/dbraw/zinc/79/10/19/836791019.db2.gz NGPPUFWKGHMFTJ-CQSZACIVSA-N 1 1 342.399 0.972 20 30 ECEDMO CCOc1nc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NCC#N)C2)co1 ZINC001267109220 836793391 /nfs/dbraw/zinc/79/33/91/836793391.db2.gz WWVQOKYUCSPYNB-LBPRGKRZSA-N 1 1 349.391 0.249 20 30 ECEDMO CCOc1nc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)co1 ZINC001267109220 836793398 /nfs/dbraw/zinc/79/33/98/836793398.db2.gz WWVQOKYUCSPYNB-LBPRGKRZSA-N 1 1 349.391 0.249 20 30 ECEDMO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267109412 836794034 /nfs/dbraw/zinc/79/40/34/836794034.db2.gz VCSMZRYYMJJBEK-OAHLLOKOSA-N 1 1 339.403 0.617 20 30 ECEDMO Cc1cc(CCC(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)no1 ZINC001267111771 836797266 /nfs/dbraw/zinc/79/72/66/836797266.db2.gz SBTDPXCNCKOKGW-OAHLLOKOSA-N 1 1 347.419 0.478 20 30 ECEDMO Cc1cc(CCC(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)no1 ZINC001267111771 836797271 /nfs/dbraw/zinc/79/72/71/836797271.db2.gz SBTDPXCNCKOKGW-OAHLLOKOSA-N 1 1 347.419 0.478 20 30 ECEDMO Cc1c(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)ccn1C ZINC001267112513 836799801 /nfs/dbraw/zinc/79/98/01/836799801.db2.gz ZRQUKVWVNBBQAR-CQSZACIVSA-N 1 1 331.420 0.510 20 30 ECEDMO Cc1c(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)ccn1C ZINC001267112513 836799810 /nfs/dbraw/zinc/79/98/10/836799810.db2.gz ZRQUKVWVNBBQAR-CQSZACIVSA-N 1 1 331.420 0.510 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2cscn2)C1 ZINC001267112798 836802462 /nfs/dbraw/zinc/80/24/62/836802462.db2.gz XOQAMELLUWHFMK-DZGCQCFKSA-N 1 1 348.472 0.746 20 30 ECEDMO COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 ZINC001267113755 836803155 /nfs/dbraw/zinc/80/31/55/836803155.db2.gz RLGZUCITIYZVAY-MRXNPFEDSA-N 1 1 333.436 0.631 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NC3CC3)C2)cn1 ZINC001267113693 836803461 /nfs/dbraw/zinc/80/34/61/836803461.db2.gz QHRQBPCFODLKET-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NC3CC3)C2)cn1 ZINC001267113693 836803471 /nfs/dbraw/zinc/80/34/71/836803471.db2.gz QHRQBPCFODLKET-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001267113573 836803910 /nfs/dbraw/zinc/80/39/10/836803910.db2.gz NWTJUJJGWAZTAM-CQSZACIVSA-N 1 1 329.466 0.214 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(OC)o2)C1 ZINC001267113734 836803977 /nfs/dbraw/zinc/80/39/77/836803977.db2.gz RFJWEWDOZWGBHH-UONOGXRCSA-N 1 1 347.415 0.963 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NC3CC3)C2)cn1 ZINC001267113692 836804177 /nfs/dbraw/zinc/80/41/77/836804177.db2.gz QHRQBPCFODLKET-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NC3CC3)C2)cn1 ZINC001267113692 836804186 /nfs/dbraw/zinc/80/41/86/836804186.db2.gz QHRQBPCFODLKET-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001267113572 836804410 /nfs/dbraw/zinc/80/44/10/836804410.db2.gz NWTJUJJGWAZTAM-AWEZNQCLSA-N 1 1 329.466 0.214 20 30 ECEDMO Cc1ccc(CC(=O)N2CCC[C@H]([N@H+](C)CC(=O)NCC#N)C2)cn1 ZINC001267114380 836804943 /nfs/dbraw/zinc/80/49/43/836804943.db2.gz FAJHYGWTMMTNDJ-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO Cc1ccc(CC(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)cn1 ZINC001267114380 836804953 /nfs/dbraw/zinc/80/49/53/836804953.db2.gz FAJHYGWTMMTNDJ-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN(C)S(=O)(=O)CC ZINC001279585493 836847530 /nfs/dbraw/zinc/84/75/30/836847530.db2.gz CBFVDUNXBCTHHQ-HUUCEWRRSA-N 1 1 341.477 0.357 20 30 ECEDMO Cc1cnn(CC(=O)NCCC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)c1 ZINC001267161766 836875316 /nfs/dbraw/zinc/87/53/16/836875316.db2.gz VQQSUEJREDQGQZ-OAHLLOKOSA-N 1 1 346.435 0.192 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001267163081 836880190 /nfs/dbraw/zinc/88/01/90/836880190.db2.gz LRQOMIIJEDAUOB-GXTWGEPZSA-N 1 1 349.435 0.495 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1ccoc1 ZINC001267164975 836886736 /nfs/dbraw/zinc/88/67/36/836886736.db2.gz JMQAVDOEDKFGFY-OAHLLOKOSA-N 1 1 332.404 0.823 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1cnoc1 ZINC001267174530 836912675 /nfs/dbraw/zinc/91/26/75/836912675.db2.gz LXCOWKSSFJFEDG-HNNXBMFYSA-N 1 1 332.404 0.327 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1nonc1C ZINC001267181402 836931667 /nfs/dbraw/zinc/93/16/67/836931667.db2.gz JGCOWNSYTIENMI-CYBMUJFWSA-N 1 1 333.392 0.102 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001267203414 836980486 /nfs/dbraw/zinc/98/04/86/836980486.db2.gz GCDNTAJLLGWIHP-ZDUSSCGKSA-N 1 1 349.435 0.657 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001267203414 836980498 /nfs/dbraw/zinc/98/04/98/836980498.db2.gz GCDNTAJLLGWIHP-ZDUSSCGKSA-N 1 1 349.435 0.657 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2oc(C)nc2c1 ZINC001267203742 836981006 /nfs/dbraw/zinc/98/10/06/836981006.db2.gz JLHFCRPHAZDDAB-GFCCVEGCSA-N 1 1 342.399 0.936 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2oc(C)nc2c1 ZINC001267203742 836981014 /nfs/dbraw/zinc/98/10/14/836981014.db2.gz JLHFCRPHAZDDAB-GFCCVEGCSA-N 1 1 342.399 0.936 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2n[nH]c3c2CCC3)C1=O ZINC001267205218 836984127 /nfs/dbraw/zinc/98/41/27/836984127.db2.gz FNTQPVITIDSXAU-CQSZACIVSA-N 1 1 331.420 0.347 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2n[nH]c3c2CCC3)C1=O ZINC001267205218 836984135 /nfs/dbraw/zinc/98/41/35/836984135.db2.gz FNTQPVITIDSXAU-CQSZACIVSA-N 1 1 331.420 0.347 20 30 ECEDMO CCO[C@H](C(=O)NCC[N@@H+](C)CC#CCOC)C1CCOCC1 ZINC001267209071 836994756 /nfs/dbraw/zinc/99/47/56/836994756.db2.gz IRRWZABROFHVQV-INIZCTEOSA-N 1 1 326.437 0.516 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2nnn(C)c2c1 ZINC001267227074 837027952 /nfs/dbraw/zinc/02/79/52/837027952.db2.gz BIGBAPWDZOIQMY-GFCCVEGCSA-N 1 1 344.419 0.321 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2nnn(C)c2c1 ZINC001267227074 837027955 /nfs/dbraw/zinc/02/79/55/837027955.db2.gz BIGBAPWDZOIQMY-GFCCVEGCSA-N 1 1 344.419 0.321 20 30 ECEDMO C[N@H+](CCNC(=O)CC#Cc1ccccc1)C[C@H]1CCS(=O)(=O)C1 ZINC001267231010 837035068 /nfs/dbraw/zinc/03/50/68/837035068.db2.gz LCPUCXKFIRWRHI-QGZVFWFLSA-N 1 1 348.468 0.911 20 30 ECEDMO C[N@@H+](CCNC(=O)CC#Cc1ccccc1)C[C@H]1CCS(=O)(=O)C1 ZINC001267231010 837035072 /nfs/dbraw/zinc/03/50/72/837035072.db2.gz LCPUCXKFIRWRHI-QGZVFWFLSA-N 1 1 348.468 0.911 20 30 ECEDMO C#CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267232421 837037457 /nfs/dbraw/zinc/03/74/57/837037457.db2.gz HUNGNSCWFVGGFM-DOTOQJQBSA-N 1 1 344.459 0.475 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccc2c1CCC2 ZINC001267232991 837037632 /nfs/dbraw/zinc/03/76/32/837037632.db2.gz HMNZARQKNFZWAR-CQSZACIVSA-N 1 1 327.428 0.975 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc2c1CCC2 ZINC001267232991 837037639 /nfs/dbraw/zinc/03/76/39/837037639.db2.gz HMNZARQKNFZWAR-CQSZACIVSA-N 1 1 327.428 0.975 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cccc(N(C)C)c1 ZINC001267254818 837075702 /nfs/dbraw/zinc/07/57/02/837075702.db2.gz FWXRFCBCCVGAEC-OAHLLOKOSA-N 1 1 344.459 0.942 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cccc(N(C)C)c1 ZINC001267254818 837075712 /nfs/dbraw/zinc/07/57/12/837075712.db2.gz FWXRFCBCCVGAEC-OAHLLOKOSA-N 1 1 344.459 0.942 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001267267506 837104925 /nfs/dbraw/zinc/10/49/25/837104925.db2.gz REFDGGOTABPVRV-WDEREUQCSA-N 1 1 344.362 0.234 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001267267506 837104928 /nfs/dbraw/zinc/10/49/28/837104928.db2.gz REFDGGOTABPVRV-WDEREUQCSA-N 1 1 344.362 0.234 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC001267267276 837105172 /nfs/dbraw/zinc/10/51/72/837105172.db2.gz NNDQEQFMLYVZBY-HOCLYGCPSA-N 1 1 347.415 0.628 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1cccnc1 ZINC001267269948 837108780 /nfs/dbraw/zinc/10/87/80/837108780.db2.gz FIIPQFFURPHSMZ-MRXNPFEDSA-N 1 1 328.416 0.344 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cccnc1 ZINC001267269948 837108785 /nfs/dbraw/zinc/10/87/85/837108785.db2.gz FIIPQFFURPHSMZ-MRXNPFEDSA-N 1 1 328.416 0.344 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001267270458 837111176 /nfs/dbraw/zinc/11/11/76/837111176.db2.gz JHJJOJANTIBCLA-HUUCEWRRSA-N 1 1 345.447 0.328 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001267270458 837111184 /nfs/dbraw/zinc/11/11/84/837111184.db2.gz JHJJOJANTIBCLA-HUUCEWRRSA-N 1 1 345.447 0.328 20 30 ECEDMO CC#CC[N@@H+](CCCNC(=O)Cc1ccc(C(N)=O)nc1)C(C)C ZINC001267273549 837114527 /nfs/dbraw/zinc/11/45/27/837114527.db2.gz LLQNHPIFEIGUMI-UHFFFAOYSA-N 1 1 330.432 0.963 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001267280098 837126469 /nfs/dbraw/zinc/12/64/69/837126469.db2.gz QYSRBLCUZRHDBM-RISCZKNCSA-N 1 1 332.404 0.624 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001267280098 837126476 /nfs/dbraw/zinc/12/64/76/837126476.db2.gz QYSRBLCUZRHDBM-RISCZKNCSA-N 1 1 332.404 0.624 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2c(C)noc2C)C1 ZINC001267285141 837135929 /nfs/dbraw/zinc/13/59/29/837135929.db2.gz CMVDPTWVLKNEIH-JSGCOSHPSA-N 1 1 332.404 0.481 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CC2CC2)C1 ZINC001267286106 837137379 /nfs/dbraw/zinc/13/73/79/837137379.db2.gz VQYPFBOXKKTQCZ-GXTWGEPZSA-N 1 1 336.436 0.625 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267290459 837141171 /nfs/dbraw/zinc/14/11/71/837141171.db2.gz OGMKLRJHFGZIQK-QWHCGFSZSA-N 1 1 329.404 0.629 20 30 ECEDMO CS(=O)(=O)CC1(C[N@@H+]2CC[C@@H](CNC(=O)C#CC3CC3)C2)CC1 ZINC001267292533 837144700 /nfs/dbraw/zinc/14/47/00/837144700.db2.gz BORGYRFIXOWAIF-HNNXBMFYSA-N 1 1 338.473 0.663 20 30 ECEDMO CS(=O)(=O)CC1(C[N@H+]2CC[C@@H](CNC(=O)C#CC3CC3)C2)CC1 ZINC001267292533 837144704 /nfs/dbraw/zinc/14/47/04/837144704.db2.gz BORGYRFIXOWAIF-HNNXBMFYSA-N 1 1 338.473 0.663 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001267297604 837154490 /nfs/dbraw/zinc/15/44/90/837154490.db2.gz DGDDAACCNQTYOY-QAPCUYQASA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2occ3c2CCC3)C1 ZINC001267298393 837159789 /nfs/dbraw/zinc/15/97/89/837159789.db2.gz MJLFLIVTSJFOEH-ZIAGYGMSSA-N 1 1 343.427 0.958 20 30 ECEDMO CC(C)c1[nH]ccc1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267299191 837164491 /nfs/dbraw/zinc/16/44/91/837164491.db2.gz ARDLWEFNMXFVJW-CYBMUJFWSA-N 1 1 331.420 0.830 20 30 ECEDMO CC(C)c1[nH]ccc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267299191 837164498 /nfs/dbraw/zinc/16/44/98/837164498.db2.gz ARDLWEFNMXFVJW-CYBMUJFWSA-N 1 1 331.420 0.830 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccn(C(C)C)n2)C1 ZINC001267302064 837166613 /nfs/dbraw/zinc/16/66/13/837166613.db2.gz AMXPJMHVRKUVGU-CQSZACIVSA-N 1 1 331.420 0.265 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001267303960 837170894 /nfs/dbraw/zinc/17/08/94/837170894.db2.gz UIZZZMAYLFDVBE-GJZGRUSLSA-N 1 1 331.416 0.879 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(C)CC(F)(F)C2)C1 ZINC001267306110 837176430 /nfs/dbraw/zinc/17/64/30/837176430.db2.gz DKFISYPQTKHWCH-STQMWFEESA-N 1 1 341.402 0.998 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001267308577 837183315 /nfs/dbraw/zinc/18/33/15/837183315.db2.gz BWQBOXXIIWOWGZ-CVEARBPZSA-N 1 1 325.453 0.348 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(N(C)C)ccn2)C1 ZINC001267309179 837185181 /nfs/dbraw/zinc/18/51/81/837185181.db2.gz JYKNXKPKNYTHGJ-AWEZNQCLSA-N 1 1 345.447 0.502 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](CCC)[C@H](C)C(=O)N(C)C ZINC001267318410 837195391 /nfs/dbraw/zinc/19/53/91/837195391.db2.gz YAJWSCYZXDTGCS-KFWWJZLASA-N 1 1 325.453 0.882 20 30 ECEDMO C=CC[N@H+](CCCNC(=O)c1c[nH]nc1S(N)(=O)=O)C(C)C ZINC001267319137 837196034 /nfs/dbraw/zinc/19/60/34/837196034.db2.gz KHLHLSUXLATBRZ-UHFFFAOYSA-N 1 1 329.426 0.073 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001267319751 837196641 /nfs/dbraw/zinc/19/66/41/837196641.db2.gz PWZKJLRHRURIDQ-UHFFFAOYSA-N 1 1 345.403 0.527 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCNC(=O)c2ccc(C)nn2)C2CC2)C1=O ZINC001267325093 837201775 /nfs/dbraw/zinc/20/17/75/837201775.db2.gz BXSDNJHJCOLPCT-MRXNPFEDSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCNC(=O)c2ccc(C)nn2)C2CC2)C1=O ZINC001267325093 837201782 /nfs/dbraw/zinc/20/17/82/837201782.db2.gz BXSDNJHJCOLPCT-MRXNPFEDSA-N 1 1 343.431 0.766 20 30 ECEDMO O=C(NCC[N@H+](CC#Cc1ccccc1)C1CC1)[C@H]1CNC(=O)N1 ZINC001267331445 837212572 /nfs/dbraw/zinc/21/25/72/837212572.db2.gz HNTSKXCEBHOBIC-MRXNPFEDSA-N 1 1 326.400 0.300 20 30 ECEDMO O=C(NCC[N@@H+](CC#Cc1ccccc1)C1CC1)[C@H]1CNC(=O)N1 ZINC001267331445 837212577 /nfs/dbraw/zinc/21/25/77/837212577.db2.gz HNTSKXCEBHOBIC-MRXNPFEDSA-N 1 1 326.400 0.300 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[N@H+](C2CC2)[C@@H]2CCN(C)C2=O)nn1 ZINC001267333437 837214769 /nfs/dbraw/zinc/21/47/69/837214769.db2.gz AEUBFHOICKTDFO-OAHLLOKOSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCN(C)C2=O)nn1 ZINC001267333437 837214777 /nfs/dbraw/zinc/21/47/77/837214777.db2.gz AEUBFHOICKTDFO-OAHLLOKOSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H](C)SC)c1ccccc1 ZINC001267350160 837237191 /nfs/dbraw/zinc/23/71/91/837237191.db2.gz AVUKTDLUZKVAGA-HIFRSBDPSA-N 1 1 333.457 0.934 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1COCCO1)c1ccccc1 ZINC001267350606 837237688 /nfs/dbraw/zinc/23/76/88/837237688.db2.gz GIVQHELFJCEPGR-JKSUJKDBSA-N 1 1 347.415 0.151 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]([NH2+][C@H](C)C(N)=O)c2ccccc2)nc1 ZINC001267376762 837289720 /nfs/dbraw/zinc/28/97/20/837289720.db2.gz IWVZINWUIAPMHR-CXAGYDPISA-N 1 1 336.395 0.997 20 30 ECEDMO CCS(=O)(=O)NCC[N@@H+](C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267582012 837847246 /nfs/dbraw/zinc/84/72/46/837847246.db2.gz VBOAIYBELQOKEY-OAHLLOKOSA-N 1 1 341.477 0.119 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC[C@@H]2CC[N@H+](CC(N)=O)C2)cc1 ZINC001267582306 837848625 /nfs/dbraw/zinc/84/86/25/837848625.db2.gz CBZXNODPUHIOCU-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001267583024 837850359 /nfs/dbraw/zinc/85/03/59/837850359.db2.gz NBXLQUSETIHGQD-CHWSQXEVSA-N 1 1 336.436 0.400 20 30 ECEDMO C#CCCCCCC(=O)N1CC[C@H](C[N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001267587382 837867634 /nfs/dbraw/zinc/86/76/34/837867634.db2.gz MPWVICMLFFHZMX-OAHLLOKOSA-N 1 1 347.463 0.972 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(C(C)C)n2)C1 ZINC001267590119 837877430 /nfs/dbraw/zinc/87/74/30/837877430.db2.gz QHDLNIFDNRDUTB-OAHLLOKOSA-N 1 1 345.447 0.607 20 30 ECEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001267602861 837927828 /nfs/dbraw/zinc/92/78/28/837927828.db2.gz ICGWJQPPDAWDDO-HNNXBMFYSA-N 1 1 332.452 0.982 20 30 ECEDMO C#CCC[N@H+](C)CC1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001267604569 837937118 /nfs/dbraw/zinc/93/71/18/837937118.db2.gz WDIPIUAHCATUOW-UHFFFAOYSA-N 1 1 334.420 0.074 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)COCC2CC2)CC1 ZINC001267606446 837946591 /nfs/dbraw/zinc/94/65/91/837946591.db2.gz ZBVLPRGLUNZVTD-UHFFFAOYSA-N 1 1 337.464 0.139 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 ZINC001267620129 838057704 /nfs/dbraw/zinc/05/77/04/838057704.db2.gz VHFVHWVBSWLTLO-ZIAGYGMSSA-N 1 1 338.452 0.300 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 ZINC001267620129 838057714 /nfs/dbraw/zinc/05/77/14/838057714.db2.gz VHFVHWVBSWLTLO-ZIAGYGMSSA-N 1 1 338.452 0.300 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC001267626702 838074273 /nfs/dbraw/zinc/07/42/73/838074273.db2.gz YRYYGAALJZFZMH-KBPBESRZSA-N 1 1 332.404 0.515 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 ZINC001267625434 838075437 /nfs/dbraw/zinc/07/54/37/838075437.db2.gz KHLJUSHPTRFNFK-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001267629739 838088299 /nfs/dbraw/zinc/08/82/99/838088299.db2.gz IIIONVSLJWAETP-GUYCJALGSA-N 1 1 336.436 0.721 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267629739 838088312 /nfs/dbraw/zinc/08/83/12/838088312.db2.gz IIIONVSLJWAETP-GUYCJALGSA-N 1 1 336.436 0.721 20 30 ECEDMO Cc1ncsc1C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001267632086 838093132 /nfs/dbraw/zinc/09/31/32/838093132.db2.gz KUJUTMLVNBPPJO-GFCCVEGCSA-N 1 1 335.433 0.485 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CCNC(=O)C3CC3)C2)nn1 ZINC001267632351 838094186 /nfs/dbraw/zinc/09/41/86/838094186.db2.gz OEUUOXGQWHUONW-AWEZNQCLSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCNC(=O)C3CC3)C2)nn1 ZINC001267632351 838094194 /nfs/dbraw/zinc/09/41/94/838094194.db2.gz OEUUOXGQWHUONW-AWEZNQCLSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001267638704 838115150 /nfs/dbraw/zinc/11/51/50/838115150.db2.gz QMXBLUAICXIJPA-KGLIPLIRSA-N 1 1 333.436 0.505 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2COCCN2CC)C1 ZINC001267658583 838174445 /nfs/dbraw/zinc/17/44/45/838174445.db2.gz PGLOORYWWSHQPU-IAGOWNOFSA-N 1 1 339.480 0.690 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001267696617 838285570 /nfs/dbraw/zinc/28/55/70/838285570.db2.gz ILZUCIBWSVYNHZ-ZDUSSCGKSA-N 1 1 332.404 0.157 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC1C[NH+]([C@@H]2CCN(CC)C2=O)C1 ZINC001267696981 838289361 /nfs/dbraw/zinc/28/93/61/838289361.db2.gz CAKZVMLTFMYHPV-GOSISDBHSA-N 1 1 339.439 0.879 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COC ZINC001267710861 838325603 /nfs/dbraw/zinc/32/56/03/838325603.db2.gz BKHCBEDUWLCKTN-MPTYRVRUSA-N 1 1 326.437 0.508 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2ocnc2C)CC1 ZINC001267725109 838390068 /nfs/dbraw/zinc/39/00/68/838390068.db2.gz UCDQCAPLOZLALL-UHFFFAOYSA-N 1 1 332.404 0.516 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC001267725815 838396475 /nfs/dbraw/zinc/39/64/75/838396475.db2.gz DODYKXMZHXTDJI-HNNXBMFYSA-N 1 1 347.463 0.957 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC001267725815 838396484 /nfs/dbraw/zinc/39/64/84/838396484.db2.gz DODYKXMZHXTDJI-HNNXBMFYSA-N 1 1 347.463 0.957 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001267725872 838399636 /nfs/dbraw/zinc/39/96/36/838399636.db2.gz HMFUUTAHBBSEPA-HIFRSBDPSA-N 1 1 333.436 0.152 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001267725872 838399643 /nfs/dbraw/zinc/39/96/43/838399643.db2.gz HMFUUTAHBBSEPA-HIFRSBDPSA-N 1 1 333.436 0.152 20 30 ECEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)CCNC(=O)COC)CC1 ZINC001267729921 838416207 /nfs/dbraw/zinc/41/62/07/838416207.db2.gz KOXLPHMWTXDBGG-UHFFFAOYSA-N 1 1 325.453 0.886 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2c(C)noc2C)C1 ZINC001267734127 838426517 /nfs/dbraw/zinc/42/65/17/838426517.db2.gz UTUBCCNLCTYZQY-AWEZNQCLSA-N 1 1 334.420 0.717 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2c(C)noc2C)C1 ZINC001267734127 838426523 /nfs/dbraw/zinc/42/65/23/838426523.db2.gz UTUBCCNLCTYZQY-AWEZNQCLSA-N 1 1 334.420 0.717 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001267746650 838452590 /nfs/dbraw/zinc/45/25/90/838452590.db2.gz OIRHXLPYDRJFIX-GOEBONIOSA-N 1 1 347.463 0.888 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001267746650 838452596 /nfs/dbraw/zinc/45/25/96/838452596.db2.gz OIRHXLPYDRJFIX-GOEBONIOSA-N 1 1 347.463 0.888 20 30 ECEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC=C)C1 ZINC001267748421 838458360 /nfs/dbraw/zinc/45/83/60/838458360.db2.gz ZQDLIBPVXDBUAS-UONOGXRCSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC=C)C1 ZINC001267748421 838458363 /nfs/dbraw/zinc/45/83/63/838458363.db2.gz ZQDLIBPVXDBUAS-UONOGXRCSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](CCNC(=O)NC(C)(C)C)C1 ZINC001267753727 838476971 /nfs/dbraw/zinc/47/69/71/838476971.db2.gz LBFQVRYACMEUQG-CQSZACIVSA-N 1 1 340.468 0.867 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CC[N@H+](CCNC(=O)NC(C)(C)C)C1 ZINC001267753727 838476975 /nfs/dbraw/zinc/47/69/75/838476975.db2.gz LBFQVRYACMEUQG-CQSZACIVSA-N 1 1 340.468 0.867 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnnc(C)c2)C1 ZINC001267762268 838490040 /nfs/dbraw/zinc/49/00/40/838490040.db2.gz DYQSVBDJHUOCPC-ZFWWWQNUSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnnc(C)c2)C1 ZINC001267762268 838490046 /nfs/dbraw/zinc/49/00/46/838490046.db2.gz DYQSVBDJHUOCPC-ZFWWWQNUSA-N 1 1 329.404 0.069 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(N(C)C)cn2)C1 ZINC001267764408 838495334 /nfs/dbraw/zinc/49/53/34/838495334.db2.gz URXMJQULKCPOAY-CQSZACIVSA-N 1 1 333.436 0.892 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001267767222 838502900 /nfs/dbraw/zinc/50/29/00/838502900.db2.gz NGDBJLOYMKMENS-JKSUJKDBSA-N 1 1 330.432 0.628 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)COCC2CCCC2)C1 ZINC001267767246 838503314 /nfs/dbraw/zinc/50/33/14/838503314.db2.gz NQUBRSZWJOLHAN-WBVHZDCISA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)COCC2CCCC2)C1 ZINC001267767246 838503317 /nfs/dbraw/zinc/50/33/17/838503317.db2.gz NQUBRSZWJOLHAN-WBVHZDCISA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267773118 838531667 /nfs/dbraw/zinc/53/16/67/838531667.db2.gz JQKFXEZOEMDTIC-JYJNAYRXSA-N 1 1 326.437 0.509 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C)C1 ZINC001267777090 838541562 /nfs/dbraw/zinc/54/15/62/838541562.db2.gz PLHROIFBDRREMJ-QWHCGFSZSA-N 1 1 338.452 0.966 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C)C1 ZINC001267777090 838541564 /nfs/dbraw/zinc/54/15/64/838541564.db2.gz PLHROIFBDRREMJ-QWHCGFSZSA-N 1 1 338.452 0.966 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cncnc2)C1 ZINC001267782705 838558011 /nfs/dbraw/zinc/55/80/11/838558011.db2.gz BHPMQVTXCZTEAD-DZGCQCFKSA-N 1 1 329.404 0.151 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cncnc2)C1 ZINC001267782705 838558019 /nfs/dbraw/zinc/55/80/19/838558019.db2.gz BHPMQVTXCZTEAD-DZGCQCFKSA-N 1 1 329.404 0.151 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001267782881 838558995 /nfs/dbraw/zinc/55/89/95/838558995.db2.gz BZFXSRLSSWAKPI-GXTWGEPZSA-N 1 1 348.451 0.269 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001267782881 838558997 /nfs/dbraw/zinc/55/89/97/838558997.db2.gz BZFXSRLSSWAKPI-GXTWGEPZSA-N 1 1 348.451 0.269 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC)n2)C1 ZINC001267784582 838559616 /nfs/dbraw/zinc/55/96/16/838559616.db2.gz QOBYKKGPIOSSGZ-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC)n2)C1 ZINC001267784582 838559619 /nfs/dbraw/zinc/55/96/19/838559619.db2.gz QOBYKKGPIOSSGZ-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CCCCO2)C1 ZINC001267785735 838560681 /nfs/dbraw/zinc/56/06/81/838560681.db2.gz QGDLMSWANIZHKO-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CCCCO2)C1 ZINC001267785735 838560685 /nfs/dbraw/zinc/56/06/85/838560685.db2.gz QGDLMSWANIZHKO-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)NC(=O)CC)C1 ZINC001267785866 838562220 /nfs/dbraw/zinc/56/22/20/838562220.db2.gz IFRBJMGEGDIMOL-UONOGXRCSA-N 1 1 338.452 0.126 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)NC(=O)CC)C1 ZINC001267785866 838562223 /nfs/dbraw/zinc/56/22/23/838562223.db2.gz IFRBJMGEGDIMOL-UONOGXRCSA-N 1 1 338.452 0.126 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267787282 838563480 /nfs/dbraw/zinc/56/34/80/838563480.db2.gz ZJBFPCIFQPMRCQ-UONOGXRCSA-N 1 1 333.432 0.764 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267787282 838563483 /nfs/dbraw/zinc/56/34/83/838563483.db2.gz ZJBFPCIFQPMRCQ-UONOGXRCSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(CC)on2)C1 ZINC001267790764 838570596 /nfs/dbraw/zinc/57/05/96/838570596.db2.gz SRZVMIIHPWJCDM-UONOGXRCSA-N 1 1 346.431 0.911 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(CC)on2)C1 ZINC001267790764 838570602 /nfs/dbraw/zinc/57/06/02/838570602.db2.gz SRZVMIIHPWJCDM-UONOGXRCSA-N 1 1 346.431 0.911 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@]1(NC(=O)CN2CCCC2)CCCC[C@@H]1C ZINC001267872690 838668472 /nfs/dbraw/zinc/66/84/72/838668472.db2.gz PSYGAGXCIWXVCQ-QFBILLFUSA-N 1 1 348.491 0.486 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267937811 838819641 /nfs/dbraw/zinc/81/96/41/838819641.db2.gz XVYFCUHUOPESBV-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1ccon1)CC2 ZINC001267973485 838904148 /nfs/dbraw/zinc/90/41/48/838904148.db2.gz ROTNAPHBWYHALA-UHFFFAOYSA-N 1 1 345.403 0.171 20 30 ECEDMO CC1(C)CO[C@H](C[N@@H+]2CCO[C@H](CNC(=O)CSCC#N)C2)C1 ZINC001268016998 838981766 /nfs/dbraw/zinc/98/17/66/838981766.db2.gz HYTXGLMQGKVXNJ-UONOGXRCSA-N 1 1 341.477 0.875 20 30 ECEDMO CC1(C)CO[C@H](C[N@H+]2CCO[C@H](CNC(=O)CSCC#N)C2)C1 ZINC001268016998 838981771 /nfs/dbraw/zinc/98/17/71/838981771.db2.gz HYTXGLMQGKVXNJ-UONOGXRCSA-N 1 1 341.477 0.875 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H]3CCCN3C)CCCC2)C1=O ZINC001268033288 839081457 /nfs/dbraw/zinc/08/14/57/839081457.db2.gz LDDZNENXQYMKLW-HZPDHXFCSA-N 1 1 348.491 0.886 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC2(C[NH+](Cc3ccnn3C)C2)CC1 ZINC001268044100 839200239 /nfs/dbraw/zinc/20/02/39/839200239.db2.gz XANANUKWPMBKSR-OAHLLOKOSA-N 1 1 330.432 0.883 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)c1ccnnc1)CC2 ZINC001268045677 839209982 /nfs/dbraw/zinc/20/99/82/839209982.db2.gz FWDLCCHMTNDRHZ-CQSZACIVSA-N 1 1 343.431 0.705 20 30 ECEDMO Cn1nnc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000980997812 839300312 /nfs/dbraw/zinc/30/03/12/839300312.db2.gz FPKRQZDLYADJFR-RYUDHWBXSA-N 1 1 328.380 0.241 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCN(C(=O)CN3CN=NC3=O)CC2)c1 ZINC000981001761 839307939 /nfs/dbraw/zinc/30/79/39/839307939.db2.gz RKHRZWPTSDDREM-UHFFFAOYSA-N 1 1 340.387 0.590 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)CN3CN=NC3=O)CC2)c1 ZINC000981001761 839307953 /nfs/dbraw/zinc/30/79/53/839307953.db2.gz RKHRZWPTSDDREM-UHFFFAOYSA-N 1 1 340.387 0.590 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000427067312 210178636 /nfs/dbraw/zinc/17/86/36/210178636.db2.gz NOBXAIUQSOAJKH-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000297532697 202122383 /nfs/dbraw/zinc/12/23/83/202122383.db2.gz XWQCEVKXFGQKFQ-NSHDSACASA-N 1 1 328.413 0.843 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000297532697 202122385 /nfs/dbraw/zinc/12/23/85/202122385.db2.gz XWQCEVKXFGQKFQ-NSHDSACASA-N 1 1 328.413 0.843 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](O)COc1cccc(C)c1 ZINC000297554500 202126709 /nfs/dbraw/zinc/12/67/09/202126709.db2.gz RLDMOHROFZJCBH-MRXNPFEDSA-N 1 1 333.432 0.989 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000490640545 283314348 /nfs/dbraw/zinc/31/43/48/283314348.db2.gz UJRDGOPAIBQMAS-WAYWQWQTSA-N 1 1 326.400 0.898 20 30 ECEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000267302130 201223386 /nfs/dbraw/zinc/22/33/86/201223386.db2.gz KJBGIJSSEHPBIZ-CHWSQXEVSA-N 1 1 337.445 0.855 20 30 ECEDMO C#CC[N@H+](CC)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000267302130 201223387 /nfs/dbraw/zinc/22/33/87/201223387.db2.gz KJBGIJSSEHPBIZ-CHWSQXEVSA-N 1 1 337.445 0.855 20 30 ECEDMO C#CCNC(=O)c1ccc(N[C@@H](C)CCN2CC[NH+](C)CC2)nc1 ZINC000274513101 201270005 /nfs/dbraw/zinc/27/00/05/201270005.db2.gz VDHRUNYXRCBSNZ-HNNXBMFYSA-N 1 1 329.448 0.883 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC001041672294 781960986 /nfs/dbraw/zinc/96/09/86/781960986.db2.gz AYVBNDDRDWHZRB-FCEWJHQRSA-N 1 1 347.459 0.570 20 30 ECEDMO C[N@@H+](CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C1CC1 ZINC000264910342 247035740 /nfs/dbraw/zinc/03/57/40/247035740.db2.gz WWKLBMPIVQLBGM-UHFFFAOYSA-N 1 1 328.420 0.879 20 30 ECEDMO C[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1CCO ZINC000249583029 206362318 /nfs/dbraw/zinc/36/23/18/206362318.db2.gz RWYNXBPXBKUJTG-OCCSQVGLSA-N 1 1 334.445 0.723 20 30 ECEDMO C[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@H+]1CCO ZINC000249583029 206362321 /nfs/dbraw/zinc/36/23/21/206362321.db2.gz RWYNXBPXBKUJTG-OCCSQVGLSA-N 1 1 334.445 0.723 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000451329637 211377543 /nfs/dbraw/zinc/37/75/43/211377543.db2.gz OAUKXMLEBWZLMG-GOSISDBHSA-N 1 1 345.399 0.686 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CC(C)(C)CO)CC2)o1 ZINC000451252893 211372781 /nfs/dbraw/zinc/37/27/81/211372781.db2.gz ZVFXNLIXQQYZHJ-UHFFFAOYSA-N 1 1 349.435 0.454 20 30 ECEDMO N#Cc1ccc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)o1 ZINC000174380787 207016199 /nfs/dbraw/zinc/01/61/99/207016199.db2.gz YMGRHNGMRULABA-ZDUSSCGKSA-N 1 1 327.406 0.729 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000267537196 251137387 /nfs/dbraw/zinc/13/73/87/251137387.db2.gz ARTMFIOUGGCKKF-ZDUSSCGKSA-N 1 1 334.351 0.473 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135412010 254499174 /nfs/dbraw/zinc/49/91/74/254499174.db2.gz PRXCVCDRNJMDTI-CQSZACIVSA-N 1 1 335.452 0.874 20 30 ECEDMO COC[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC000330939616 254646392 /nfs/dbraw/zinc/64/63/92/254646392.db2.gz WYGBJEIPQNRQGE-GJZGRUSLSA-N 1 1 329.441 0.604 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340794635 254678184 /nfs/dbraw/zinc/67/81/84/254678184.db2.gz HZKRREFOEXEXPL-FPCVCCKLSA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@@H]1C(N)=O ZINC000344500619 254693005 /nfs/dbraw/zinc/69/30/05/254693005.db2.gz AZDGWYIFHKWJFW-BZUAXINKSA-N 1 1 334.416 0.729 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](OC)C[C@@H]1C(N)=O ZINC000344500619 254693006 /nfs/dbraw/zinc/69/30/06/254693006.db2.gz AZDGWYIFHKWJFW-BZUAXINKSA-N 1 1 334.416 0.729 20 30 ECEDMO CN1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1C#N ZINC000372151935 254744885 /nfs/dbraw/zinc/74/48/85/254744885.db2.gz AXAVDIIQUMKSCQ-MRXNPFEDSA-N 1 1 349.479 0.871 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@](C)(O)CNC(=O)OC(C)(C)C)C1=O ZINC000496632687 255116455 /nfs/dbraw/zinc/11/64/55/255116455.db2.gz MLWZGGJNTRDFLW-SUMWQHHRSA-N 1 1 341.452 0.981 20 30 ECEDMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC#CCO)CC1 ZINC000496404719 255097315 /nfs/dbraw/zinc/09/73/15/255097315.db2.gz WBGHALHGPDPLAZ-UHFFFAOYSA-N 1 1 325.409 0.087 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000118124544 221125712 /nfs/dbraw/zinc/12/57/12/221125712.db2.gz XMSPDYOZZIYFCQ-AWEZNQCLSA-N 1 1 348.378 0.863 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NCC[N@H+]2CCC[C@@H](C)C2)N(S(C)(=O)=O)C1 ZINC000329861026 286102822 /nfs/dbraw/zinc/10/28/22/286102822.db2.gz PXLMCLGWKKOYHR-HZSPNIEDSA-N 1 1 347.481 0.724 20 30 ECEDMO C[C@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000153148385 296690943 /nfs/dbraw/zinc/69/09/43/296690943.db2.gz IEIDZCLFMJCDEG-ZDUSSCGKSA-N 1 1 330.388 0.412 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC001041704217 782022713 /nfs/dbraw/zinc/02/27/13/782022713.db2.gz RCAUYRAXUIHHDU-YOEHRIQHSA-N 1 1 328.420 0.183 20 30 ECEDMO CC[C@H](CO)[NH+]1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1 ZINC000269456513 263183780 /nfs/dbraw/zinc/18/37/80/263183780.db2.gz HAVFDJXOITVSND-OAHLLOKOSA-N 1 1 347.415 0.861 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272814239 263377423 /nfs/dbraw/zinc/37/74/23/263377423.db2.gz LQAFTWXMZYUMLA-HOTGVXAUSA-N 1 1 342.399 0.500 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272814239 263377425 /nfs/dbraw/zinc/37/74/25/263377425.db2.gz LQAFTWXMZYUMLA-HOTGVXAUSA-N 1 1 342.399 0.500 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(CC(=O)NCc3ccc(C#N)cc3)[C@@H]2C1 ZINC000284483541 264218854 /nfs/dbraw/zinc/21/88/54/264218854.db2.gz AZUHCXRQCQCIKL-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000366455612 266153814 /nfs/dbraw/zinc/15/38/14/266153814.db2.gz SEHNAKKQNNIOQW-CQSZACIVSA-N 1 1 326.360 0.798 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000366455612 266153818 /nfs/dbraw/zinc/15/38/18/266153818.db2.gz SEHNAKKQNNIOQW-CQSZACIVSA-N 1 1 326.360 0.798 20 30 ECEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCn2cnc(C#N)n2)C1 ZINC000286688560 267086761 /nfs/dbraw/zinc/08/67/61/267086761.db2.gz QLNJGSACKISTEU-OKILXGFUSA-N 1 1 333.440 0.817 20 30 ECEDMO C[C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)n1cnc(C#N)n1 ZINC000336933860 267131515 /nfs/dbraw/zinc/13/15/15/267131515.db2.gz DKLLPNHFNLYOGK-LLVKDONJSA-N 1 1 330.417 0.947 20 30 ECEDMO C[C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)n1cnc(C#N)n1 ZINC000336933860 267131516 /nfs/dbraw/zinc/13/15/16/267131516.db2.gz DKLLPNHFNLYOGK-LLVKDONJSA-N 1 1 330.417 0.947 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366306841 267141109 /nfs/dbraw/zinc/14/11/09/267141109.db2.gz GGSSFPWOUCJVDA-WXHSDQCUSA-N 1 1 326.356 0.480 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366306841 267141111 /nfs/dbraw/zinc/14/11/11/267141111.db2.gz GGSSFPWOUCJVDA-WXHSDQCUSA-N 1 1 326.356 0.480 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1F ZINC000362932818 268005258 /nfs/dbraw/zinc/00/52/58/268005258.db2.gz RAYJKGUPFMRBHM-UONOGXRCSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000295450226 268081838 /nfs/dbraw/zinc/08/18/38/268081838.db2.gz YZZFZOJGOBGCNX-MRXNPFEDSA-N 1 1 337.445 0.824 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H](N3CC[NH+](CCO)CC3)C2=O)cc1 ZINC000272202923 268113631 /nfs/dbraw/zinc/11/36/31/268113631.db2.gz ATUMVDPVKXPOFJ-KRWDZBQOSA-N 1 1 328.416 0.664 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)c(F)c1 ZINC000304079793 268116819 /nfs/dbraw/zinc/11/68/19/268116819.db2.gz YIVXBEMMMGERFY-HNNXBMFYSA-N 1 1 346.406 0.803 20 30 ECEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1Cl ZINC000366420793 268140898 /nfs/dbraw/zinc/14/08/98/268140898.db2.gz PWLHZLDPLCQYER-VXGBXAGGSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1Cl ZINC000366420793 268140900 /nfs/dbraw/zinc/14/09/00/268140900.db2.gz PWLHZLDPLCQYER-VXGBXAGGSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)C1=O ZINC000368246459 268303972 /nfs/dbraw/zinc/30/39/72/268303972.db2.gz WXHFHWMRNOLJNR-UPJWGTAASA-N 1 1 330.413 0.793 20 30 ECEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)C1=O ZINC000368246459 268303974 /nfs/dbraw/zinc/30/39/74/268303974.db2.gz WXHFHWMRNOLJNR-UPJWGTAASA-N 1 1 330.413 0.793 20 30 ECEDMO CC(C)C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH+]1CCOCC1 ZINC000328810306 273518180 /nfs/dbraw/zinc/51/81/80/273518180.db2.gz AQKONROPFSPSFB-GFCCVEGCSA-N 1 1 338.408 0.537 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)CC1 ZINC000333175695 276011212 /nfs/dbraw/zinc/01/12/12/276011212.db2.gz QVCKFMZLACLIQZ-XSLAGTTESA-N 1 1 348.491 0.772 20 30 ECEDMO CC[N@@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000130977973 276305524 /nfs/dbraw/zinc/30/55/24/276305524.db2.gz ZWCUGIPIBMMSKQ-GFCCVEGCSA-N 1 1 338.433 0.293 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+]CCn1cnc(C#N)n1 ZINC000329386610 288134614 /nfs/dbraw/zinc/13/46/14/288134614.db2.gz SMKSOSWZABMUAM-CYBMUJFWSA-N 1 1 347.423 0.249 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041721243 782052737 /nfs/dbraw/zinc/05/27/37/782052737.db2.gz MNPKUISXMVNTPS-HOCLYGCPSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041721243 782052747 /nfs/dbraw/zinc/05/27/47/782052747.db2.gz MNPKUISXMVNTPS-HOCLYGCPSA-N 1 1 326.462 0.922 20 30 ECEDMO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000291587289 437608021 /nfs/dbraw/zinc/60/80/21/437608021.db2.gz PMFRJIAGEGQAOO-UHFFFAOYSA-N 1 1 338.433 0.585 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CCNC2=O)c(OC)c1 ZINC000340224933 437612797 /nfs/dbraw/zinc/61/27/97/437612797.db2.gz DMDNKOITGMPXHR-GJZGRUSLSA-N 1 1 334.416 0.984 20 30 ECEDMO C[C@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000329305178 289232878 /nfs/dbraw/zinc/23/28/78/289232878.db2.gz OPFHLEAEJDPLSC-STQMWFEESA-N 1 1 344.481 0.517 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000329285509 290087282 /nfs/dbraw/zinc/08/72/82/290087282.db2.gz OJVULLKRSRRXHB-SQWLQELKSA-N 1 1 343.493 0.954 20 30 ECEDMO CC(C)(C#N)CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000330793820 437615709 /nfs/dbraw/zinc/61/57/09/437615709.db2.gz DCIXMHANLSVDFL-CQSZACIVSA-N 1 1 336.436 0.366 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001077977571 782057806 /nfs/dbraw/zinc/05/78/06/782057806.db2.gz DSIRFPOSXAJJKD-HUUCEWRRSA-N 1 1 331.420 0.428 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001077977571 782057796 /nfs/dbraw/zinc/05/77/96/782057796.db2.gz DSIRFPOSXAJJKD-HUUCEWRRSA-N 1 1 331.420 0.428 20 30 ECEDMO C=C(C)COCCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000354455697 437620232 /nfs/dbraw/zinc/62/02/32/437620232.db2.gz GSJRLNCUGPCUML-OAHLLOKOSA-N 1 1 340.468 0.821 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069868199 435971650 /nfs/dbraw/zinc/97/16/50/435971650.db2.gz CHEBLDWECWEYIL-CQSZACIVSA-N 1 1 330.454 0.121 20 30 ECEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000076199765 436194057 /nfs/dbraw/zinc/19/40/57/436194057.db2.gz KNJPYFRMLYKZOV-UHFFFAOYSA-N 1 1 341.415 0.029 20 30 ECEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000076199765 436194061 /nfs/dbraw/zinc/19/40/61/436194061.db2.gz KNJPYFRMLYKZOV-UHFFFAOYSA-N 1 1 341.415 0.029 20 30 ECEDMO CNC(=O)NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961257 436195578 /nfs/dbraw/zinc/19/55/78/436195578.db2.gz QXWFEIWNEAUSTO-UHFFFAOYSA-N 1 1 329.404 0.522 20 30 ECEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H](O)CN1CCOCC1 ZINC000083244433 436368038 /nfs/dbraw/zinc/36/80/38/436368038.db2.gz XIBINNCFBYSLDU-KRWDZBQOSA-N 1 1 346.431 0.512 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000047983518 436436348 /nfs/dbraw/zinc/43/63/48/436436348.db2.gz ATRRDGQCLRHZHA-OCCSQVGLSA-N 1 1 336.436 0.625 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](CC)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000091216755 436443896 /nfs/dbraw/zinc/44/38/96/436443896.db2.gz ZCZHHMCBNUKFRK-AWEZNQCLSA-N 1 1 329.466 0.549 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000091229195 436446541 /nfs/dbraw/zinc/44/65/41/436446541.db2.gz RDFVHTSIXUVFPX-GFCCVEGCSA-N 1 1 332.408 0.659 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCC#Cc2ccccc2)CC1 ZINC000047424411 436419336 /nfs/dbraw/zinc/41/93/36/436419336.db2.gz CJOMUEAPLJCUDV-UHFFFAOYSA-N 1 1 328.416 0.548 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000105807951 436577534 /nfs/dbraw/zinc/57/75/34/436577534.db2.gz CHMOXLUGFRUGJW-CYBMUJFWSA-N 1 1 332.408 0.389 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000105808970 436578085 /nfs/dbraw/zinc/57/80/85/436578085.db2.gz ZDFAKBXQKSWNFH-KGLIPLIRSA-N 1 1 346.435 0.778 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000097000951 436536617 /nfs/dbraw/zinc/53/66/17/436536617.db2.gz NIIQLCZXEDWHDS-UHFFFAOYSA-N 1 1 335.429 0.376 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105867526 436582833 /nfs/dbraw/zinc/58/28/33/436582833.db2.gz LQMCSOUPVVLFJJ-CYBMUJFWSA-N 1 1 331.420 0.593 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105867526 436582837 /nfs/dbraw/zinc/58/28/37/436582837.db2.gz LQMCSOUPVVLFJJ-CYBMUJFWSA-N 1 1 331.420 0.593 20 30 ECEDMO N#C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000106333675 436591213 /nfs/dbraw/zinc/59/12/13/436591213.db2.gz ARVRMOZXZQRGNG-KRWDZBQOSA-N 1 1 344.415 0.953 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000057018931 436602798 /nfs/dbraw/zinc/60/27/98/436602798.db2.gz MNMQWQWYMHPJFK-UHFFFAOYSA-N 1 1 342.490 0.998 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000545999580 302242743 /nfs/dbraw/zinc/24/27/43/302242743.db2.gz SYRJZEWGNXDTMR-UHFFFAOYSA-N 1 1 328.372 0.883 20 30 ECEDMO COC(=O)[C@]1(NCC(=O)NCC#N)CCC[N@H+](Cc2ccccc2)C1 ZINC000121087410 436705703 /nfs/dbraw/zinc/70/57/03/436705703.db2.gz CWZJSMMQUMSPNV-SFHVURJKSA-N 1 1 344.415 0.424 20 30 ECEDMO COC(=O)[C@]1(NCC(=O)NCC#N)CCC[N@@H+](Cc2ccccc2)C1 ZINC000121087410 436705706 /nfs/dbraw/zinc/70/57/06/436705706.db2.gz CWZJSMMQUMSPNV-SFHVURJKSA-N 1 1 344.415 0.424 20 30 ECEDMO C=C(C)COCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000121219681 436710698 /nfs/dbraw/zinc/71/06/98/436710698.db2.gz YANFOAICRMVUSE-OAHLLOKOSA-N 1 1 338.452 0.527 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COCc1ccco1 ZINC000119401658 436667893 /nfs/dbraw/zinc/66/78/93/436667893.db2.gz ZYGRSFSWPKVGSJ-GFCCVEGCSA-N 1 1 333.392 0.899 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000194714918 436670978 /nfs/dbraw/zinc/67/09/78/436670978.db2.gz OOAAQWNRSIEQHN-AWEZNQCLSA-N 1 1 335.429 0.422 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)ccc1F ZINC000119803037 436673076 /nfs/dbraw/zinc/67/30/76/436673076.db2.gz RTVBGAFQEAFXBS-LBPRGKRZSA-N 1 1 326.397 0.702 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)ccc1F ZINC000119803037 436673078 /nfs/dbraw/zinc/67/30/78/436673078.db2.gz RTVBGAFQEAFXBS-LBPRGKRZSA-N 1 1 326.397 0.702 20 30 ECEDMO C=CCCOCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000122723761 436737186 /nfs/dbraw/zinc/73/71/86/436737186.db2.gz XUIMJBICLJTOCD-OAHLLOKOSA-N 1 1 338.452 0.527 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000068271959 436740554 /nfs/dbraw/zinc/74/05/54/436740554.db2.gz WDKPNHMKOWCDEH-OAHLLOKOSA-N 1 1 329.400 0.796 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000153153547 436751549 /nfs/dbraw/zinc/75/15/49/436751549.db2.gz CQKVTDDNPPREHL-OAHLLOKOSA-N 1 1 327.388 0.332 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(=O)n2ccccc2n1 ZINC000153253819 436752151 /nfs/dbraw/zinc/75/21/51/436752151.db2.gz KAUSSDXQIGOLLO-UHFFFAOYSA-N 1 1 337.387 0.936 20 30 ECEDMO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(C)CC#N ZINC000068972293 436759432 /nfs/dbraw/zinc/75/94/32/436759432.db2.gz FNWOGBWHBYPMOK-HNNXBMFYSA-N 1 1 330.432 0.979 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)CC1 ZINC000125205403 436765295 /nfs/dbraw/zinc/76/52/95/436765295.db2.gz MSWKKHKHPBJNRS-UHFFFAOYSA-N 1 1 330.436 0.103 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)CC1 ZINC000248826732 436811187 /nfs/dbraw/zinc/81/11/87/436811187.db2.gz KNJUWLYSQHWTKX-YVSFHVDLSA-N 1 1 336.480 0.912 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000248434437 436802740 /nfs/dbraw/zinc/80/27/40/436802740.db2.gz DWVAQLVKUMIULX-IAGOWNOFSA-N 1 1 344.415 0.687 20 30 ECEDMO CC#CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000292999727 436842598 /nfs/dbraw/zinc/84/25/98/436842598.db2.gz CTSFRPALIBLBLX-QWHCGFSZSA-N 1 1 337.445 0.855 20 30 ECEDMO CC#CC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000292999727 436842601 /nfs/dbraw/zinc/84/26/01/436842601.db2.gz CTSFRPALIBLBLX-QWHCGFSZSA-N 1 1 337.445 0.855 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000252496010 436834282 /nfs/dbraw/zinc/83/42/82/436834282.db2.gz CZNRMLNRCDZSQU-SJORKVTESA-N 1 1 328.416 0.726 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000252496010 436834286 /nfs/dbraw/zinc/83/42/86/436834286.db2.gz CZNRMLNRCDZSQU-SJORKVTESA-N 1 1 328.416 0.726 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135414763 436917357 /nfs/dbraw/zinc/91/73/57/436917357.db2.gz QEDDRKQBUNRVGN-KRWDZBQOSA-N 1 1 335.452 0.921 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000293903603 436918617 /nfs/dbraw/zinc/91/86/17/436918617.db2.gz FMVWOOKQHWLBHV-UHFFFAOYSA-N 1 1 327.384 0.744 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000135861742 436924574 /nfs/dbraw/zinc/92/45/74/436924574.db2.gz YJICZXKWXBMIEM-UHFFFAOYSA-N 1 1 336.367 0.720 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC[C@](C)(O)c1cccs1 ZINC000261733825 436884726 /nfs/dbraw/zinc/88/47/26/436884726.db2.gz LVGYFPPUKZILLD-CJNGLKHVSA-N 1 1 337.493 0.120 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC[C@@](C)(O)c1cc(C)oc1C ZINC000261928498 436896586 /nfs/dbraw/zinc/89/65/86/436896586.db2.gz JJTNZKAPKYEEHW-CRAIPNDOSA-N 1 1 349.479 0.269 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N(C)Cc1cc(Cl)cn1C ZINC000261962386 436897411 /nfs/dbraw/zinc/89/74/11/436897411.db2.gz KPPUERDQUSYVMT-HNNXBMFYSA-N 1 1 338.887 0.686 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN(C)CCN1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261934262 436898953 /nfs/dbraw/zinc/89/89/53/436898953.db2.gz CCOUAROKFGMFEF-JKSUJKDBSA-N 1 1 346.479 0.356 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000162471366 436907901 /nfs/dbraw/zinc/90/79/01/436907901.db2.gz XAEKGWGUTVUEBY-CRAIPNDOSA-N 1 1 347.463 0.033 20 30 ECEDMO Cc1oc(C#N)cc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000281406167 436966251 /nfs/dbraw/zinc/96/62/51/436966251.db2.gz WSWMKPVQDIITAE-HNNXBMFYSA-N 1 1 330.388 0.838 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC[C@H]21 ZINC000294080213 436932584 /nfs/dbraw/zinc/93/25/84/436932584.db2.gz LSJHHKZHKVVPSY-ZIAGYGMSSA-N 1 1 327.388 0.834 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000294097901 436934309 /nfs/dbraw/zinc/93/43/09/436934309.db2.gz YAKWUNLMIQWUTF-UHFFFAOYSA-N 1 1 341.408 0.882 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000294747203 436960120 /nfs/dbraw/zinc/96/01/20/436960120.db2.gz OWPORWYCPIXDDB-INIZCTEOSA-N 1 1 345.443 0.972 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000283482090 437028675 /nfs/dbraw/zinc/02/86/75/437028675.db2.gz HEMITMYCKGVWBU-INIZCTEOSA-N 1 1 336.480 0.575 20 30 ECEDMO Cc1nc(CCN(C)CC#CC[N@H+](C)CCc2noc(C)n2)no1 ZINC000284058339 437033860 /nfs/dbraw/zinc/03/38/60/437033860.db2.gz JXKVMIFMGHWNGL-UHFFFAOYSA-N 1 1 332.408 0.722 20 30 ECEDMO Cc1nc(CCN(C)CC#CC[N@@H+](C)CCc2noc(C)n2)no1 ZINC000284058339 437033864 /nfs/dbraw/zinc/03/38/64/437033864.db2.gz JXKVMIFMGHWNGL-UHFFFAOYSA-N 1 1 332.408 0.722 20 30 ECEDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000296352151 436990254 /nfs/dbraw/zinc/99/02/54/436990254.db2.gz ZUKCZPBLIPLSBX-ZDUSSCGKSA-N 1 1 332.408 0.678 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000296692334 436997128 /nfs/dbraw/zinc/99/71/28/436997128.db2.gz RHRKEZDQKKOUJC-UHFFFAOYSA-N 1 1 334.395 0.810 20 30 ECEDMO COCCNC(=[NH2+])NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000264083157 437014955 /nfs/dbraw/zinc/01/49/55/437014955.db2.gz IXHRTMTVABHIFW-UHFFFAOYSA-N 1 1 349.479 0.758 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC000285588376 437079329 /nfs/dbraw/zinc/07/93/29/437079329.db2.gz BTIXDLXUOBVLQM-HZPDHXFCSA-N 1 1 342.399 0.220 20 30 ECEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000284823825 437074821 /nfs/dbraw/zinc/07/48/21/437074821.db2.gz AROYPYYDAVOPQO-MLGOLLRUSA-N 1 1 337.445 0.573 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)Cc3cccc(C#N)c3)[C@H]2C1 ZINC000285197763 437076501 /nfs/dbraw/zinc/07/65/01/437076501.db2.gz VRKPIYNFMWYHGF-HOTGVXAUSA-N 1 1 335.429 0.793 20 30 ECEDMO C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)C1=O ZINC000286057820 437086276 /nfs/dbraw/zinc/08/62/76/437086276.db2.gz RXJAJOKDEWHPID-KBPBESRZSA-N 1 1 338.452 0.078 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000286438780 437091336 /nfs/dbraw/zinc/09/13/36/437091336.db2.gz HXDQYNVXXBBYIV-UHFFFAOYSA-N 1 1 341.477 0.345 20 30 ECEDMO Cc1ccc(CNC(=O)C2CC[NH+](CC(=O)NCC#N)CC2)cc1 ZINC000175318143 437098821 /nfs/dbraw/zinc/09/88/21/437098821.db2.gz QGNWQCMAOBOCCP-UHFFFAOYSA-N 1 1 328.416 0.963 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000299670392 437100575 /nfs/dbraw/zinc/10/05/75/437100575.db2.gz SKGPXNRMAXOCDT-AWEZNQCLSA-N 1 1 328.416 0.359 20 30 ECEDMO CC(C)(C#N)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000299719446 437106342 /nfs/dbraw/zinc/10/63/42/437106342.db2.gz VLUFOYLVTLHIAE-UHFFFAOYSA-N 1 1 328.416 0.997 20 30 ECEDMO CC(C)[C@@H](C(=O)NCCn1cnc(C#N)n1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000286878873 437140705 /nfs/dbraw/zinc/14/07/05/437140705.db2.gz NZHWQFMLGDPYAS-NFAWXSAZSA-N 1 1 334.424 0.400 20 30 ECEDMO Cc1cc(N2CCC(NC(=O)N3CCO[C@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC000176892706 437161389 /nfs/dbraw/zinc/16/13/89/437161389.db2.gz AYROPWPVHGNIKY-OAHLLOKOSA-N 1 1 344.419 0.996 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000265374739 437115611 /nfs/dbraw/zinc/11/56/11/437115611.db2.gz PIRMPMNJVHCPES-CVEARBPZSA-N 1 1 335.429 0.146 20 30 ECEDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 ZINC000177912943 437199675 /nfs/dbraw/zinc/19/96/75/437199675.db2.gz WSSWWDKBGDHEOX-CQSZACIVSA-N 1 1 344.415 0.720 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000178405597 437214743 /nfs/dbraw/zinc/21/47/43/437214743.db2.gz PGMWHRCVEQZOTL-UHFFFAOYSA-N 1 1 330.388 0.644 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000332380471 437216240 /nfs/dbraw/zinc/21/62/40/437216240.db2.gz OHAYEPCCRFQHAJ-CSMYWGQOSA-N 1 1 346.435 0.336 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000328806198 437267737 /nfs/dbraw/zinc/26/77/37/437267737.db2.gz LXXFTSAVXNWVLO-BZUAXINKSA-N 1 1 347.463 0.729 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000328806198 437267741 /nfs/dbraw/zinc/26/77/41/437267741.db2.gz LXXFTSAVXNWVLO-BZUAXINKSA-N 1 1 347.463 0.729 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CNc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000332603352 437236497 /nfs/dbraw/zinc/23/64/97/437236497.db2.gz IKSDZHIECAKCFH-ZIAGYGMSSA-N 1 1 345.447 1.369 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCN(C2CC2)C(=O)C1)[NH+]1CCOCC1 ZINC000328700304 437254769 /nfs/dbraw/zinc/25/47/69/437254769.db2.gz IPOJZCWDXZDNAL-HNNXBMFYSA-N 1 1 338.452 0.564 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC(=O)N(C)[C@H](C)C2)C1 ZINC000328733232 437257548 /nfs/dbraw/zinc/25/75/48/437257548.db2.gz XYASRLMQPFIESQ-ZIAGYGMSSA-N 1 1 326.441 0.420 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328772626 437260875 /nfs/dbraw/zinc/26/08/75/437260875.db2.gz JTCYKOBHIRUASO-IIAWOOMASA-N 1 1 343.493 0.936 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C ZINC000329034155 437305357 /nfs/dbraw/zinc/30/53/57/437305357.db2.gz QQRYZRMLCICRGT-HZSPNIEDSA-N 1 1 346.497 0.739 20 30 ECEDMO C[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000336924001 437312402 /nfs/dbraw/zinc/31/24/02/437312402.db2.gz VDGDGPNDPPUZNB-MGPQQGTHSA-N 1 1 330.454 0.166 20 30 ECEDMO C=CCNC(=O)CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000181211448 437313935 /nfs/dbraw/zinc/31/39/35/437313935.db2.gz JLWDMCLVZRUWHU-CHWSQXEVSA-N 1 1 326.441 0.476 20 30 ECEDMO C#CCNc1nc(NC[C@@H](O)C2CC2)nc(NC[C@@H](O)C2CC2)[nH+]1 ZINC000288100280 437279709 /nfs/dbraw/zinc/27/97/09/437279709.db2.gz WXDLDAXDIOUWCB-CHWSQXEVSA-N 1 1 332.408 0.282 20 30 ECEDMO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333702437 437280896 /nfs/dbraw/zinc/28/08/96/437280896.db2.gz DNVDVSPWUQLLKF-KKUMJFAQSA-N 1 1 333.436 0.675 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000288198787 437292791 /nfs/dbraw/zinc/29/27/91/437292791.db2.gz BUEAIDDVVXJLST-AWEZNQCLSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000288198787 437292795 /nfs/dbraw/zinc/29/27/95/437292795.db2.gz BUEAIDDVVXJLST-AWEZNQCLSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000288198790 437292956 /nfs/dbraw/zinc/29/29/56/437292956.db2.gz BUEAIDDVVXJLST-CQSZACIVSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](CC)C[C@H]2C)c1 ZINC000288198790 437292958 /nfs/dbraw/zinc/29/29/58/437292958.db2.gz BUEAIDDVVXJLST-CQSZACIVSA-N 1 1 349.456 0.764 20 30 ECEDMO CN(C)C(=O)CC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000182204948 437342011 /nfs/dbraw/zinc/34/20/11/437342011.db2.gz CJMHYKNAEXAFLJ-UHFFFAOYSA-N 1 1 333.436 0.833 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](C)C(=O)NC)C3)C2)nn1 ZINC001041728410 782068939 /nfs/dbraw/zinc/06/89/39/782068939.db2.gz HWUXJPMPDUQXTK-CXAGYDPISA-N 1 1 346.435 0.137 20 30 ECEDMO C[C@@H]1CN(C(=O)NCCC2(O)CCOCC2)CC[N@H+]1CC(C)(C)O ZINC000329334263 437353996 /nfs/dbraw/zinc/35/39/96/437353996.db2.gz KRIQINKDWYTUNE-CQSZACIVSA-N 1 1 343.468 0.609 20 30 ECEDMO Cc1ccc(-c2nnn(CC(=O)NC[C@H]3C[N@H+](C)CCN3C)n2)cc1 ZINC000329351381 437354531 /nfs/dbraw/zinc/35/45/31/437354531.db2.gz FIJKIMMKXZPPGQ-HNNXBMFYSA-N 1 1 343.435 0.851 20 30 ECEDMO C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1nncn1C ZINC000329396979 437361655 /nfs/dbraw/zinc/36/16/55/437361655.db2.gz USWIQQGJDNJODX-LSDHHAIUSA-N 1 1 349.483 0.892 20 30 ECEDMO C[C@@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)CN1CC[NH+](C)CC1 ZINC000329407489 437364128 /nfs/dbraw/zinc/36/41/28/437364128.db2.gz CLAOXAIFKLCQQS-ZDUSSCGKSA-N 1 1 337.472 1.243 20 30 ECEDMO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)C1 ZINC000329450712 437371892 /nfs/dbraw/zinc/37/18/92/437371892.db2.gz MVULRSOVCYOXQR-WBMJQRKESA-N 1 1 337.424 0.463 20 30 ECEDMO C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC[NH+]2CCSCC2)C1=O ZINC000329451829 437372040 /nfs/dbraw/zinc/37/20/40/437372040.db2.gz PBCQXLNHWSJHEP-OAHLLOKOSA-N 1 1 340.449 0.917 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000337070612 437326179 /nfs/dbraw/zinc/32/61/79/437326179.db2.gz OCYOXQOXXROOBF-GJZGRUSLSA-N 1 1 346.497 0.539 20 30 ECEDMO C[N@@H+]1CC=C(CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000329216805 437335076 /nfs/dbraw/zinc/33/50/76/437335076.db2.gz PBXYQSVMMQBCLJ-CYBMUJFWSA-N 1 1 330.454 0.176 20 30 ECEDMO N#Cc1c(NC(=O)CC[N@H+]2C[C@@H](O)[C@@H](O)C2)sc2c1CCCC2 ZINC000278690405 437336073 /nfs/dbraw/zinc/33/60/73/437336073.db2.gz JEZUMKFJNQNTOJ-BETUJISGSA-N 1 1 335.429 0.865 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc3c(c2)OCO3)C1=O ZINC000337181462 437338445 /nfs/dbraw/zinc/33/84/45/437338445.db2.gz MPCIAAOIPPDLCE-ZFWWWQNUSA-N 1 1 348.399 0.874 20 30 ECEDMO CN(C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329520603 437378892 /nfs/dbraw/zinc/37/88/92/437378892.db2.gz QJWVSYATTCJCDR-FIBILERRSA-N 1 1 334.424 0.689 20 30 ECEDMO CN(C(=O)N[C@H]1COC[C@H]1n1ccnn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329520603 437378894 /nfs/dbraw/zinc/37/88/94/437378894.db2.gz QJWVSYATTCJCDR-FIBILERRSA-N 1 1 334.424 0.689 20 30 ECEDMO CN(C(=O)N[C@H]1COC[C@H]1n1ccnn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329520603 437378899 /nfs/dbraw/zinc/37/88/99/437378899.db2.gz QJWVSYATTCJCDR-FIBILERRSA-N 1 1 334.424 0.689 20 30 ECEDMO CN(C)c1ncc(CN(C)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000329536007 437379922 /nfs/dbraw/zinc/37/99/22/437379922.db2.gz ZWFGLHKVQMJPOP-AWEZNQCLSA-N 1 1 335.456 0.134 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CC(F)(F)C2)CC1 ZINC000330226423 437471046 /nfs/dbraw/zinc/47/10/46/437471046.db2.gz BLMKNHKSJNYVQB-LBPRGKRZSA-N 1 1 330.379 0.937 20 30 ECEDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000330231526 437471199 /nfs/dbraw/zinc/47/11/99/437471199.db2.gz WXGZXLDJVXQROI-ANQUJSFKSA-N 1 1 341.452 0.625 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000290433371 437486209 /nfs/dbraw/zinc/48/62/09/437486209.db2.gz HDHDEBVDRDIKGO-UHFFFAOYSA-N 1 1 327.428 0.833 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339027267 437435276 /nfs/dbraw/zinc/43/52/76/437435276.db2.gz KVFVAUIOQDUEBA-OAHLLOKOSA-N 1 1 344.481 0.511 20 30 ECEDMO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)n1 ZINC000329968330 437440377 /nfs/dbraw/zinc/44/03/77/437440377.db2.gz WQAMZXNWJJECHA-ICGCDAGXSA-N 1 1 335.408 0.882 20 30 ECEDMO CC(=O)N1CCN(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329980743 437441520 /nfs/dbraw/zinc/44/15/20/437441520.db2.gz LZASHGCXYWXSDO-HUUCEWRRSA-N 1 1 339.484 0.479 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCn2cnnc2[C@@H]1C)[NH+]1CCOCC1 ZINC000330059212 437449053 /nfs/dbraw/zinc/44/90/53/437449053.db2.gz KPCABBPTAUAORT-KBPBESRZSA-N 1 1 336.440 0.926 20 30 ECEDMO CN(C)S(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCOCC2)co1 ZINC000330440610 437511341 /nfs/dbraw/zinc/51/13/41/437511341.db2.gz DCHBSKMJKGZURV-UHFFFAOYSA-N 1 1 345.421 0.557 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000330445709 437514203 /nfs/dbraw/zinc/51/42/03/437514203.db2.gz HGEGEQVPFUMHGF-JSGCOSHPSA-N 1 1 327.425 0.800 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000330478586 437526054 /nfs/dbraw/zinc/52/60/54/437526054.db2.gz KTBXOYXJEOLLBS-UONOGXRCSA-N 1 1 346.497 0.788 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000330558471 437552251 /nfs/dbraw/zinc/55/22/51/437552251.db2.gz ILTHMDTXZLIMTE-SFHVURJKSA-N 1 1 337.464 0.860 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)CC2(C(=O)OC)CCC2)CC1 ZINC000360230313 437560774 /nfs/dbraw/zinc/56/07/74/437560774.db2.gz KCFOOVMOEJFZBM-UHFFFAOYSA-N 1 1 330.450 0.900 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(C[NH+](C)C)CC2)CC1 ZINC000330634735 437575761 /nfs/dbraw/zinc/57/57/61/437575761.db2.gz CBSLVNQMXSPQSG-SFHVURJKSA-N 1 1 349.523 0.952 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)Cc2ccccn2)CC1 ZINC000330676809 437586405 /nfs/dbraw/zinc/58/64/05/437586405.db2.gz KOQACDXGRLHYLV-UHFFFAOYSA-N 1 1 333.436 0.980 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000340396088 437641528 /nfs/dbraw/zinc/64/15/28/437641528.db2.gz QBVQKHINDWXWID-MRXNPFEDSA-N 1 1 344.459 0.958 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000343739188 437641834 /nfs/dbraw/zinc/64/18/34/437641834.db2.gz LUEVEKGQWWFWCB-CJNGLKHVSA-N 1 1 334.464 0.352 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340482808 437662981 /nfs/dbraw/zinc/66/29/81/437662981.db2.gz XXWDJIRRFPZFRM-QXSJWSMHSA-N 1 1 335.448 0.827 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000355050815 437667442 /nfs/dbraw/zinc/66/74/42/437667442.db2.gz FYOBKNQFFAWTHM-QWHCGFSZSA-N 1 1 348.407 0.320 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000355050815 437667447 /nfs/dbraw/zinc/66/74/47/437667447.db2.gz FYOBKNQFFAWTHM-QWHCGFSZSA-N 1 1 348.407 0.320 20 30 ECEDMO CCN(C)C(=O)[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000331016978 437672240 /nfs/dbraw/zinc/67/22/40/437672240.db2.gz LZGRYTXFOZYFLU-STQMWFEESA-N 1 1 328.457 0.544 20 30 ECEDMO CO[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@@H]1OC ZINC000331102528 437690335 /nfs/dbraw/zinc/69/03/35/437690335.db2.gz GTQZMQSZJJYQOI-HRCADAONSA-N 1 1 338.452 0.024 20 30 ECEDMO CO[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@@H]1OC ZINC000331102528 437690340 /nfs/dbraw/zinc/69/03/40/437690340.db2.gz GTQZMQSZJJYQOI-HRCADAONSA-N 1 1 338.452 0.024 20 30 ECEDMO CNc1nc(N2CCC(C#N)CC2)nc(N2CCC(C#N)CC2)[nH+]1 ZINC000343897169 437688043 /nfs/dbraw/zinc/68/80/43/437688043.db2.gz AFUCTXURXHEQRC-UHFFFAOYSA-N 1 1 326.408 0.815 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2cnc(C)c(C#N)c2)[N@H+](C)C1 ZINC000331132787 437694985 /nfs/dbraw/zinc/69/49/85/437694985.db2.gz JOUVIZAWEGMBLR-KBPBESRZSA-N 1 1 338.433 0.601 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2cnc(C)c(C#N)c2)[N@@H+](C)C1 ZINC000331132787 437694990 /nfs/dbraw/zinc/69/49/90/437694990.db2.gz JOUVIZAWEGMBLR-KBPBESRZSA-N 1 1 338.433 0.601 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC1 ZINC000343928554 437699962 /nfs/dbraw/zinc/69/99/62/437699962.db2.gz VUWYQUVDYPXVFY-WBVHZDCISA-N 1 1 348.491 0.696 20 30 ECEDMO COCCOCC[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000344127401 437737815 /nfs/dbraw/zinc/73/78/15/437737815.db2.gz SCDOPXCJQCDZAD-MRXNPFEDSA-N 1 1 340.468 0.274 20 30 ECEDMO COCCOCC[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000344127401 437737816 /nfs/dbraw/zinc/73/78/16/437737816.db2.gz SCDOPXCJQCDZAD-MRXNPFEDSA-N 1 1 340.468 0.274 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 ZINC000356150765 437751603 /nfs/dbraw/zinc/75/16/03/437751603.db2.gz WQJXUHZRZFEJKN-AWEZNQCLSA-N 1 1 340.387 1.107 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 ZINC000356150765 437751605 /nfs/dbraw/zinc/75/16/05/437751605.db2.gz WQJXUHZRZFEJKN-AWEZNQCLSA-N 1 1 340.387 1.107 20 30 ECEDMO CN(C)c1nc(N2CCN(C(=O)c3cnn(C)c3C#N)CC2)cc[nH+]1 ZINC000356176146 437753136 /nfs/dbraw/zinc/75/31/36/437753136.db2.gz WJLGYVRUKUXJJI-UHFFFAOYSA-N 1 1 340.391 0.110 20 30 ECEDMO N#CCCCCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000345117950 437778950 /nfs/dbraw/zinc/77/89/50/437778950.db2.gz KURTVJWYUQBZIQ-CYBMUJFWSA-N 1 1 330.454 0.187 20 30 ECEDMO C#CCNC(=O)C1CC[NH+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000363285530 437779297 /nfs/dbraw/zinc/77/92/97/437779297.db2.gz MUSXXPBPPWCVFI-OAHLLOKOSA-N 1 1 343.431 0.377 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CNc2ccc(C#N)cn2)CC1 ZINC000345399254 437789008 /nfs/dbraw/zinc/78/90/08/437789008.db2.gz ASURVZDJXRRRNI-OAHLLOKOSA-N 1 1 344.463 0.755 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000363438940 437791681 /nfs/dbraw/zinc/79/16/81/437791681.db2.gz WYINYANBFJPJAA-HZPDHXFCSA-N 1 1 344.415 0.788 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000370512242 437797108 /nfs/dbraw/zinc/79/71/08/437797108.db2.gz DBIGRJYANNLMDC-CVEARBPZSA-N 1 1 342.395 0.824 20 30 ECEDMO C[C@H](CNS(=O)(=O)CC1(CC#N)CC1)C[NH+]1CCN(C)CC1 ZINC000346445670 437811916 /nfs/dbraw/zinc/81/19/16/437811916.db2.gz ZIYOFHHSMMLJMB-CQSZACIVSA-N 1 1 328.482 0.483 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341416890 437842932 /nfs/dbraw/zinc/84/29/32/437842932.db2.gz JKXPLRCDLLIWLD-CQSZACIVSA-N 1 1 346.431 0.964 20 30 ECEDMO C[NH+]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000365121390 437862116 /nfs/dbraw/zinc/86/21/16/437862116.db2.gz PNAYSRNSYSFGST-UHFFFAOYSA-N 1 1 328.420 0.879 20 30 ECEDMO C=C1CC[NH+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000341997451 437938689 /nfs/dbraw/zinc/93/86/89/437938689.db2.gz SYOXDOOGPMINMG-UHFFFAOYSA-N 1 1 336.480 0.697 20 30 ECEDMO C[C@@H](C#N)S(=O)(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000416475405 437942065 /nfs/dbraw/zinc/94/20/65/437942065.db2.gz UJOMGLZOAGVBHS-HOCLYGCPSA-N 1 1 337.445 0.797 20 30 ECEDMO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000425648882 438030566 /nfs/dbraw/zinc/03/05/66/438030566.db2.gz HOOGGXDBHYRPOB-UHFFFAOYSA-N 1 1 334.424 1.371 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)nn1CCC#N ZINC000425823605 438044672 /nfs/dbraw/zinc/04/46/72/438044672.db2.gz WTDRVOVTKBAULY-UONOGXRCSA-N 1 1 344.419 0.596 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[NH+](CCOC(C)C)CC2)nn1 ZINC000425874810 438046145 /nfs/dbraw/zinc/04/61/45/438046145.db2.gz LVPSUDWBMHMILZ-UHFFFAOYSA-N 1 1 336.440 0.716 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000425879974 438047192 /nfs/dbraw/zinc/04/71/92/438047192.db2.gz JLAXFCRAURZQQD-DZKIICNBSA-N 1 1 335.448 0.827 20 30 ECEDMO CN1CCN(C(=O)[C@]2([NH+](C)C)CCOc3ccccc32)C[C@H]1C#N ZINC000372189399 438047920 /nfs/dbraw/zinc/04/79/20/438047920.db2.gz XRZQIDJNRYAFHB-KDOFPFPSSA-N 1 1 328.416 0.892 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000371842657 438002198 /nfs/dbraw/zinc/00/21/98/438002198.db2.gz ZEHMJRUENHJMIS-GFCCVEGCSA-N 1 1 334.380 0.074 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000371842657 438002205 /nfs/dbraw/zinc/00/22/05/438002205.db2.gz ZEHMJRUENHJMIS-GFCCVEGCSA-N 1 1 334.380 0.074 20 30 ECEDMO C=CCOCCC[N@@H+]1CCO[C@@H](CN(C)c2nccn(C)c2=O)C1 ZINC000348085181 438009607 /nfs/dbraw/zinc/00/96/07/438009607.db2.gz LPNMWAAUWMXPGI-HNNXBMFYSA-N 1 1 336.436 0.510 20 30 ECEDMO C=CCOCCC[N@H+]1CCO[C@@H](CN(C)c2nccn(C)c2=O)C1 ZINC000348085181 438009612 /nfs/dbraw/zinc/00/96/12/438009612.db2.gz LPNMWAAUWMXPGI-HNNXBMFYSA-N 1 1 336.436 0.510 20 30 ECEDMO COC(=O)CN1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000371924615 438011771 /nfs/dbraw/zinc/01/17/71/438011771.db2.gz ZNYGNIJIRLRNDI-UHFFFAOYSA-N 1 1 344.415 0.355 20 30 ECEDMO COC(=O)CN1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000371924615 438011775 /nfs/dbraw/zinc/01/17/75/438011775.db2.gz ZNYGNIJIRLRNDI-UHFFFAOYSA-N 1 1 344.415 0.355 20 30 ECEDMO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000428741921 438092471 /nfs/dbraw/zinc/09/24/71/438092471.db2.gz SDTVSXXQISJYDQ-ZBFHGGJFSA-N 1 1 349.431 0.839 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)nn1CCC#N ZINC000348798179 438103990 /nfs/dbraw/zinc/10/39/90/438103990.db2.gz KVGWWMJFKXXZMO-LBPRGKRZSA-N 1 1 332.408 0.643 20 30 ECEDMO C#CC[C@@H](C)NC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000366640984 438108493 /nfs/dbraw/zinc/10/84/93/438108493.db2.gz IDFSXEBGJTXJST-SJORKVTESA-N 1 1 336.480 0.835 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1(CC#N)CC1 ZINC000430582839 438114053 /nfs/dbraw/zinc/11/40/53/438114053.db2.gz LYEUCPADLOTXES-CQSZACIVSA-N 1 1 335.452 0.922 20 30 ECEDMO C#CCOCCC(=O)NCc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1 ZINC000366736431 438120118 /nfs/dbraw/zinc/12/01/18/438120118.db2.gz COBREGKJBHPLCH-UHFFFAOYSA-N 1 1 347.463 0.527 20 30 ECEDMO C=C(C)[C@H](CC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)OCC ZINC000366860161 438136368 /nfs/dbraw/zinc/13/63/68/438136368.db2.gz ZMJUXMOBPFGKOP-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)[C@H](CC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)OCC ZINC000366860161 438136372 /nfs/dbraw/zinc/13/63/72/438136372.db2.gz ZMJUXMOBPFGKOP-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)C1=O ZINC000366892374 438140598 /nfs/dbraw/zinc/14/05/98/438140598.db2.gz JCJPGZCDQQYZLU-MRXNPFEDSA-N 1 1 334.464 0.403 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(CC(=O)N3CCCC3)CC2)C1=O ZINC000366892374 438140601 /nfs/dbraw/zinc/14/06/01/438140601.db2.gz JCJPGZCDQQYZLU-MRXNPFEDSA-N 1 1 334.464 0.403 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1=O ZINC000366892374 438140604 /nfs/dbraw/zinc/14/06/04/438140604.db2.gz JCJPGZCDQQYZLU-MRXNPFEDSA-N 1 1 334.464 0.403 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1=O ZINC000366892374 438140607 /nfs/dbraw/zinc/14/06/07/438140607.db2.gz JCJPGZCDQQYZLU-MRXNPFEDSA-N 1 1 334.464 0.403 20 30 ECEDMO Cc1n[nH]c([C@@H]2CCCN(CC(=O)N(CCC#N)CCC#N)C2)n1 ZINC000349374253 438147187 /nfs/dbraw/zinc/14/71/87/438147187.db2.gz QMTNOPLJBDAFLA-CQSZACIVSA-N 1 1 329.408 0.948 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000367131363 438168731 /nfs/dbraw/zinc/16/87/31/438168731.db2.gz QFCUUQDUQAWLDT-CABCVRRESA-N 1 1 344.481 0.509 20 30 ECEDMO C[C@@H](O)COC(=O)CC[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000373819286 438169440 /nfs/dbraw/zinc/16/94/40/438169440.db2.gz KEOJTEOROZGSMW-CQSZACIVSA-N 1 1 332.404 0.779 20 30 ECEDMO COc1ccc(CNC(=O)C2CC[NH+](CC(=O)NCC#N)CC2)cc1 ZINC000350479332 438214342 /nfs/dbraw/zinc/21/43/42/438214342.db2.gz NUZMIDANAGJAKF-UHFFFAOYSA-N 1 1 344.415 0.663 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000374583175 438218258 /nfs/dbraw/zinc/21/82/58/438218258.db2.gz HARNITPXQBVJOV-KFWWJZLASA-N 1 1 344.481 0.386 20 30 ECEDMO CN(C)S(=O)(=O)CC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000367540968 438221770 /nfs/dbraw/zinc/22/17/70/438221770.db2.gz RUPBCXWPKYBNHZ-UHFFFAOYSA-N 1 1 336.461 0.962 20 30 ECEDMO Cc1ccccc1C[NH+]1CCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000358315603 438198784 /nfs/dbraw/zinc/19/87/84/438198784.db2.gz QIBOFRAMBDZPFT-UHFFFAOYSA-N 1 1 329.404 0.462 20 30 ECEDMO CCC[N@H+]1CCCN(S(=O)(=O)N(CCC#N)CCOC)CC1 ZINC000374400946 438206156 /nfs/dbraw/zinc/20/61/56/438206156.db2.gz LGBAVQLYBHVXQZ-UHFFFAOYSA-N 1 1 332.470 0.511 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@](C)(C#N)COC)CC1=O ZINC000433973729 438274494 /nfs/dbraw/zinc/27/44/94/438274494.db2.gz YRDMUPRMTREPTP-CPUCHLNUSA-N 1 1 336.436 0.364 20 30 ECEDMO C#CCC(CC#C)C(=O)N1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000376734359 438290092 /nfs/dbraw/zinc/29/00/92/438290092.db2.gz MBBXIAXISBKGIB-SFHVURJKSA-N 1 1 331.460 0.514 20 30 ECEDMO C#CCC(CC#C)C(=O)N1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000376734359 438290095 /nfs/dbraw/zinc/29/00/95/438290095.db2.gz MBBXIAXISBKGIB-SFHVURJKSA-N 1 1 331.460 0.514 20 30 ECEDMO C[C@@H]1C[NH+](CCOC2CCN(CC(=O)NCC#N)CC2)C[C@@H](C)O1 ZINC000358872040 438321396 /nfs/dbraw/zinc/32/13/96/438321396.db2.gz LPMZIMNLBJCDBC-HUUCEWRRSA-N 1 1 338.452 0.216 20 30 ECEDMO C=CCN(CCOC)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000358918537 438328660 /nfs/dbraw/zinc/32/86/60/438328660.db2.gz WNQMCTCOKZJVEF-CQSZACIVSA-N 1 1 326.441 0.418 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3cnc[nH]3)CC2)C1=O ZINC000378081265 438345368 /nfs/dbraw/zinc/34/53/68/438345368.db2.gz XOLFGKNTQYNHNV-UHFFFAOYSA-N 1 1 345.359 0.093 20 30 ECEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420152314 438391465 /nfs/dbraw/zinc/39/14/65/438391465.db2.gz OOIWWFIUSLQEGG-UHFFFAOYSA-N 1 1 336.342 0.783 20 30 ECEDMO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000378140290 438355906 /nfs/dbraw/zinc/35/59/06/438355906.db2.gz LJXMVYPEYNISGC-QGZVFWFLSA-N 1 1 346.435 0.991 20 30 ECEDMO C=CCCS(=O)(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000378159278 438357970 /nfs/dbraw/zinc/35/79/70/438357970.db2.gz CVSSAJRLEQOIBZ-UHFFFAOYSA-N 1 1 343.493 0.911 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(c2cc(C(=O)OC)ccn2)CC1 ZINC000368773019 438377840 /nfs/dbraw/zinc/37/78/40/438377840.db2.gz QVLLDZMAVPOTSC-AWEZNQCLSA-N 1 1 344.415 0.518 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(c2cc(C(=O)OC)ccn2)CC1 ZINC000368773019 438377846 /nfs/dbraw/zinc/37/78/46/438377846.db2.gz QVLLDZMAVPOTSC-AWEZNQCLSA-N 1 1 344.415 0.518 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000352570047 438443313 /nfs/dbraw/zinc/44/33/13/438443313.db2.gz BDHOHXKDJDCOKY-UONOGXRCSA-N 1 1 329.466 0.377 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000352570047 438443320 /nfs/dbraw/zinc/44/33/20/438443320.db2.gz BDHOHXKDJDCOKY-UONOGXRCSA-N 1 1 329.466 0.377 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000378641439 438410967 /nfs/dbraw/zinc/41/09/67/438410967.db2.gz YEIGXFXJUSTSNP-UHFFFAOYSA-N 1 1 329.466 0.857 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2COC[C@@H]2O)c(OC)c1 ZINC000352791444 438477547 /nfs/dbraw/zinc/47/75/47/438477547.db2.gz IBAQGLJORRHMEF-OAGGEKHMSA-N 1 1 337.416 0.855 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 ZINC000369353039 438458216 /nfs/dbraw/zinc/45/82/16/438458216.db2.gz BFZHVOWTXMKJLJ-HNNXBMFYSA-N 1 1 349.460 0.354 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000421004300 438459650 /nfs/dbraw/zinc/45/96/50/438459650.db2.gz NYXGFIVXLVDEJB-DLBZAZTESA-N 1 1 335.496 0.705 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000369951379 438533775 /nfs/dbraw/zinc/53/37/75/438533775.db2.gz JPHYHVJNTRKINC-INIZCTEOSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000369951379 438533777 /nfs/dbraw/zinc/53/37/77/438533777.db2.gz JPHYHVJNTRKINC-INIZCTEOSA-N 1 1 343.431 0.759 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000441235693 438580582 /nfs/dbraw/zinc/58/05/82/438580582.db2.gz SOQTVDQNRQQITF-WFASDCNBSA-N 1 1 325.409 0.240 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000410528806 438598279 /nfs/dbraw/zinc/59/82/79/438598279.db2.gz MRSZRUVLEULMHU-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)N1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC000410528806 438598280 /nfs/dbraw/zinc/59/82/80/438598280.db2.gz MRSZRUVLEULMHU-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+]C(C)(C)CN1CCN(CC)CC1 ZINC000451994950 438624176 /nfs/dbraw/zinc/62/41/76/438624176.db2.gz WATXWGFNARGJIT-UHFFFAOYSA-N 1 1 325.457 0.004 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC[N@H+]1CCCC1(C)C ZINC000452092091 438637710 /nfs/dbraw/zinc/63/77/10/438637710.db2.gz UPIMHHDULMIYTB-UHFFFAOYSA-N 1 1 332.470 0.557 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000452110444 438643507 /nfs/dbraw/zinc/64/35/07/438643507.db2.gz ZBYJJHPTXSUVQX-HZPDHXFCSA-N 1 1 334.416 0.731 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000452110444 438643512 /nfs/dbraw/zinc/64/35/12/438643512.db2.gz ZBYJJHPTXSUVQX-HZPDHXFCSA-N 1 1 334.416 0.731 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](CCCO)C2)CC1 ZINC000452122180 438643882 /nfs/dbraw/zinc/64/38/82/438643882.db2.gz OIJWMSOIPAOJKR-IRXDYDNUSA-N 1 1 336.480 0.773 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411972939 438683010 /nfs/dbraw/zinc/68/30/10/438683010.db2.gz WQZMHSMCXMEDNC-ACJLOTCBSA-N 1 1 344.415 0.516 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@]3(C#N)C[C@@H]3C)CC2)C1 ZINC000448924520 438685472 /nfs/dbraw/zinc/68/54/72/438685472.db2.gz ZNYLXAONVJPNDJ-JZXOWHBKSA-N 1 1 334.464 0.790 20 30 ECEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000453672549 438688483 /nfs/dbraw/zinc/68/84/83/438688483.db2.gz NUXMXUALDJBOQK-INIZCTEOSA-N 1 1 344.415 0.720 20 30 ECEDMO C[C@H]1CN(C(=O)NCC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000413552593 438694293 /nfs/dbraw/zinc/69/42/93/438694293.db2.gz ZEMAOSCMORFECU-AWEZNQCLSA-N 1 1 329.404 0.542 20 30 ECEDMO C[C@H]1CN(C(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000413552593 438694297 /nfs/dbraw/zinc/69/42/97/438694297.db2.gz ZEMAOSCMORFECU-AWEZNQCLSA-N 1 1 329.404 0.542 20 30 ECEDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000451252093 438696743 /nfs/dbraw/zinc/69/67/43/438696743.db2.gz HCXQRKYOJQQNQV-BRWVUGGUSA-N 1 1 336.480 0.772 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@H](C)[N@H+]1CCO ZINC000453929430 438701827 /nfs/dbraw/zinc/70/18/27/438701827.db2.gz HPQQYBHUYIGQCV-TXEJJXNPSA-N 1 1 348.378 0.549 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C[C@H](C)[N@@H+]1CCO ZINC000453929430 438701830 /nfs/dbraw/zinc/70/18/30/438701830.db2.gz HPQQYBHUYIGQCV-TXEJJXNPSA-N 1 1 348.378 0.549 20 30 ECEDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000554534069 438766575 /nfs/dbraw/zinc/76/65/75/438766575.db2.gz JHLZMCSFQFRUFY-HNNXBMFYSA-N 1 1 344.481 0.508 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 ZINC000595523771 438814992 /nfs/dbraw/zinc/81/49/92/438814992.db2.gz MAQIRFICLGMQOH-PVAVHDDUSA-N 1 1 345.399 0.082 20 30 ECEDMO COC[C@]1(CO)CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000595529472 438817915 /nfs/dbraw/zinc/81/79/15/438817915.db2.gz XQXZPAUZKSFLHS-FUHWJXTLSA-N 1 1 334.416 0.823 20 30 ECEDMO CN(C)C(=O)[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000595543783 438821051 /nfs/dbraw/zinc/82/10/51/438821051.db2.gz KQVROOYAUUAEEI-HOTGVXAUSA-N 1 1 331.416 0.902 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC[C@@H]21 ZINC000588129010 438821486 /nfs/dbraw/zinc/82/14/86/438821486.db2.gz XRZZMHQIWYWOIP-ZBFHGGJFSA-N 1 1 347.463 0.033 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595551622 438823710 /nfs/dbraw/zinc/82/37/10/438823710.db2.gz JGLOFWXQOQRQQG-YOEHRIQHSA-N 1 1 335.452 0.874 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2nccc(C)c2C#N)CC1=O ZINC000601177892 438827686 /nfs/dbraw/zinc/82/76/86/438827686.db2.gz CODGFBPEXRJSKZ-AWEZNQCLSA-N 1 1 331.420 0.853 20 30 ECEDMO N#Cc1ccncc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000588757251 438838773 /nfs/dbraw/zinc/83/87/73/438838773.db2.gz SYVBESMXELIPLV-HNNXBMFYSA-N 1 1 329.404 0.090 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CNc3ccc(C#N)cn3)[C@H]2C1 ZINC000561516903 438846495 /nfs/dbraw/zinc/84/64/95/438846495.db2.gz BJHDBAZBBUXTIZ-LSDHHAIUSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000457981157 438847378 /nfs/dbraw/zinc/84/73/78/438847378.db2.gz ODILPZQSDLRIDD-HNNXBMFYSA-N 1 1 326.437 0.965 20 30 ECEDMO CNC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000578091069 438896511 /nfs/dbraw/zinc/89/65/11/438896511.db2.gz OPQVOTQXPKKZSD-ZFWWWQNUSA-N 1 1 340.383 0.648 20 30 ECEDMO CNC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000578091069 438896514 /nfs/dbraw/zinc/89/65/14/438896514.db2.gz OPQVOTQXPKKZSD-ZFWWWQNUSA-N 1 1 340.383 0.648 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2sccc2C#N)CC[N@@H+]1CCO ZINC000590243111 438904494 /nfs/dbraw/zinc/90/44/94/438904494.db2.gz GCQVADFETRVAQT-UHFFFAOYSA-N 1 1 336.417 0.473 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2sccc2C#N)CC[N@H+]1CCO ZINC000590243111 438904496 /nfs/dbraw/zinc/90/44/96/438904496.db2.gz GCQVADFETRVAQT-UHFFFAOYSA-N 1 1 336.417 0.473 20 30 ECEDMO N#Cc1cnn2c1NC[C@@H](C[N@H+](CCC(F)(F)F)C[C@H](O)CO)C2 ZINC000577871609 438878965 /nfs/dbraw/zinc/87/89/65/438878965.db2.gz QKYGVVHWGXDBBE-JQWIXIFHSA-N 1 1 347.341 0.404 20 30 ECEDMO Cc1nn(C)c(C)c1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000577898196 438880883 /nfs/dbraw/zinc/88/08/83/438880883.db2.gz YHFJHERYXXSKBM-UHFFFAOYSA-N 1 1 333.417 0.867 20 30 ECEDMO C[NH+]1CCN(CC2CN(C(=O)COc3ccccc3C#N)C2)CC1 ZINC000590399112 438918128 /nfs/dbraw/zinc/91/81/28/438918128.db2.gz GPZIPKDSTIDSPK-UHFFFAOYSA-N 1 1 328.416 0.643 20 30 ECEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1C ZINC000459702514 438989447 /nfs/dbraw/zinc/98/94/47/438989447.db2.gz OXUYXEYLPIPGJG-WBVHZDCISA-N 1 1 331.416 0.835 20 30 ECEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1C ZINC000459702514 438989451 /nfs/dbraw/zinc/98/94/51/438989451.db2.gz OXUYXEYLPIPGJG-WBVHZDCISA-N 1 1 331.416 0.835 20 30 ECEDMO C[NH+]1CCN([C@H](CNS(=O)(=O)CCC#N)c2cccs2)CC1 ZINC000565933391 438992020 /nfs/dbraw/zinc/99/20/20/438992020.db2.gz RGEYONDPRXNLAG-CYBMUJFWSA-N 1 1 342.490 0.870 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000579854660 439044686 /nfs/dbraw/zinc/04/46/86/439044686.db2.gz HRTFTQAKDKVVDI-MRXNPFEDSA-N 1 1 333.436 0.014 20 30 ECEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602240124 439046007 /nfs/dbraw/zinc/04/60/07/439046007.db2.gz QOUVEDLXNYWCOF-HZPDHXFCSA-N 1 1 349.479 0.281 20 30 ECEDMO N#CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000602244720 439046032 /nfs/dbraw/zinc/04/60/32/439046032.db2.gz IENNPBFIPWXFNU-MRXNPFEDSA-N 1 1 347.463 0.224 20 30 ECEDMO CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCN(CCC#N)CC1)n2C ZINC000602204810 439039441 /nfs/dbraw/zinc/03/94/41/439039441.db2.gz WVHNAEJOAWOSAE-UHFFFAOYSA-N 1 1 341.419 0.706 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCC1(C#N)CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000597317681 439077254 /nfs/dbraw/zinc/07/72/54/439077254.db2.gz HAHFBIIMPPDWQJ-ZIAGYGMSSA-N 1 1 336.436 0.412 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCC1(C#N)CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000597317681 439077258 /nfs/dbraw/zinc/07/72/58/439077258.db2.gz HAHFBIIMPPDWQJ-ZIAGYGMSSA-N 1 1 336.436 0.412 20 30 ECEDMO N#CC[C@@]1(O)CC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000592152081 439166447 /nfs/dbraw/zinc/16/64/47/439166447.db2.gz TYZBWDMSBTWFHL-GOSISDBHSA-N 1 1 343.431 0.471 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150569 439167279 /nfs/dbraw/zinc/16/72/79/439167279.db2.gz GVCUUUZJTZZHCF-JJRVBVJISA-N 1 1 337.420 0.527 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150569 439167284 /nfs/dbraw/zinc/16/72/84/439167284.db2.gz GVCUUUZJTZZHCF-JJRVBVJISA-N 1 1 337.420 0.527 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000522054409 439141286 /nfs/dbraw/zinc/14/12/86/439141286.db2.gz HEPZIMMQTMVVOU-UHFFFAOYSA-N 1 1 339.403 0.990 20 30 ECEDMO N#CC[C@@]1(O)CC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000592146332 439165667 /nfs/dbraw/zinc/16/56/67/439165667.db2.gz BQHOQAJYHLZMGT-CQSZACIVSA-N 1 1 325.390 0.063 20 30 ECEDMO CN1CCN(c2cc(CNC(=O)[C@H]([NH3+])CCCC#N)ccn2)CC1 ZINC000567780524 439176550 /nfs/dbraw/zinc/17/65/50/439176550.db2.gz WIDRVPFKGWRZHF-OAHLLOKOSA-N 1 1 330.436 0.471 20 30 ECEDMO CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCOC1 ZINC000581344230 439201273 /nfs/dbraw/zinc/20/12/73/439201273.db2.gz PBINKNRIJBOEFR-AWEZNQCLSA-N 1 1 347.419 0.614 20 30 ECEDMO C[NH+]1CCN(C(=O)Cn2cc(COc3ccccc3C#N)nn2)CC1 ZINC000603176157 439203316 /nfs/dbraw/zinc/20/33/16/439203316.db2.gz KYRKXACWFARVPR-UHFFFAOYSA-N 1 1 340.387 0.503 20 30 ECEDMO COc1cc(/C=C\C(=O)N2CC[NH+](CCO)CC2)ccc1OCC#N ZINC000490574710 439275682 /nfs/dbraw/zinc/27/56/82/439275682.db2.gz DLMBCGBAXNVHIN-HYXAFXHYSA-N 1 1 345.399 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000490615699 439278471 /nfs/dbraw/zinc/27/84/71/439278471.db2.gz HFESZPGUJYVXNB-HUUCEWRRSA-N 1 1 342.461 0.689 20 30 ECEDMO Cc1cc(NC(=O)CN2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)no1 ZINC000598583599 439279642 /nfs/dbraw/zinc/27/96/42/439279642.db2.gz BUPSTCYBKSBGCH-AWEZNQCLSA-N 1 1 349.435 0.840 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000598584973 439280820 /nfs/dbraw/zinc/28/08/20/439280820.db2.gz LJWHOJVXOAOYHS-INIZCTEOSA-N 1 1 336.480 0.917 20 30 ECEDMO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598593128 439282673 /nfs/dbraw/zinc/28/26/73/439282673.db2.gz QMJLEZJEPSTRFZ-JKSUJKDBSA-N 1 1 336.480 0.916 20 30 ECEDMO N#Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000603409806 439256768 /nfs/dbraw/zinc/25/67/68/439256768.db2.gz CPQWLCLQBMLCGJ-MRXNPFEDSA-N 1 1 343.431 0.480 20 30 ECEDMO N#Cc1ccccc1OCC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598451583 439263993 /nfs/dbraw/zinc/26/39/93/439263993.db2.gz BSBSTYWRAFGASC-MRXNPFEDSA-N 1 1 329.400 0.995 20 30 ECEDMO C[C@@]1(NC(=O)NCC(=O)NCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000569369013 439326983 /nfs/dbraw/zinc/32/69/83/439326983.db2.gz MDSGEPZRUDSMIF-QGZVFWFLSA-N 1 1 329.404 0.590 20 30 ECEDMO C[C@]1(NC(=O)NCC(=O)NCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000569369012 439327795 /nfs/dbraw/zinc/32/77/95/439327795.db2.gz MDSGEPZRUDSMIF-KRWDZBQOSA-N 1 1 329.404 0.590 20 30 ECEDMO CC(=O)N1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528335056 439328185 /nfs/dbraw/zinc/32/81/85/439328185.db2.gz BQOZTFARANQIMA-UHFFFAOYSA-N 1 1 339.395 0.840 20 30 ECEDMO CC(=O)N1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528335056 439328190 /nfs/dbraw/zinc/32/81/90/439328190.db2.gz BQOZTFARANQIMA-UHFFFAOYSA-N 1 1 339.395 0.840 20 30 ECEDMO N#CC[C@@]1(O)CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000592843992 439287624 /nfs/dbraw/zinc/28/76/24/439287624.db2.gz IJEJMURPYUGTLU-QZTJIDSGSA-N 1 1 329.400 0.500 20 30 ECEDMO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598728637 439308042 /nfs/dbraw/zinc/30/80/42/439308042.db2.gz DTYWLDBIUYIEBV-HOCLYGCPSA-N 1 1 337.445 0.452 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000490914265 439310498 /nfs/dbraw/zinc/31/04/98/439310498.db2.gz GWSJUJRSLAMRQY-KBPBESRZSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000490914265 439310500 /nfs/dbraw/zinc/31/05/00/439310500.db2.gz GWSJUJRSLAMRQY-KBPBESRZSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490915749 439311160 /nfs/dbraw/zinc/31/11/60/439311160.db2.gz OUOBHSVHWLSEOD-CABCVRRESA-N 1 1 341.477 0.550 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490915749 439311161 /nfs/dbraw/zinc/31/11/61/439311161.db2.gz OUOBHSVHWLSEOD-CABCVRRESA-N 1 1 341.477 0.550 20 30 ECEDMO O=C1C[C@@]2(CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)CN1 ZINC000528486735 439341447 /nfs/dbraw/zinc/34/14/47/439341447.db2.gz PPJSDRIXROMSHH-IBGZPJMESA-N 1 1 337.379 0.498 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)NCCC[N@H+](C)CC#C)cc1 ZINC000491165672 439341479 /nfs/dbraw/zinc/34/14/79/439341479.db2.gz MUDPIEOLRRGPFF-UHFFFAOYSA-N 1 1 327.384 0.708 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000491164417 439343372 /nfs/dbraw/zinc/34/33/72/439343372.db2.gz BNJJQNVMGRGGBA-UHFFFAOYSA-N 1 1 344.415 0.963 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@@H](C)CS(=O)(=O)CC ZINC000491374445 439373799 /nfs/dbraw/zinc/37/37/99/439373799.db2.gz RNBOSZQFNVUMJZ-AWEZNQCLSA-N 1 1 331.482 0.796 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N(CC)[C@@H](C)CS(=O)(=O)CC ZINC000491374445 439373803 /nfs/dbraw/zinc/37/38/03/439373803.db2.gz RNBOSZQFNVUMJZ-AWEZNQCLSA-N 1 1 331.482 0.796 20 30 ECEDMO COc1cc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1C#N ZINC000593409501 439379999 /nfs/dbraw/zinc/37/99/99/439379999.db2.gz YDDJPLNAGACPET-OAHLLOKOSA-N 1 1 330.388 0.527 20 30 ECEDMO COc1cc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1C#N ZINC000593409501 439380005 /nfs/dbraw/zinc/38/00/05/439380005.db2.gz YDDJPLNAGACPET-OAHLLOKOSA-N 1 1 330.388 0.527 20 30 ECEDMO COCC[N@@H+](CC(=O)N(C)C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599263658 439407520 /nfs/dbraw/zinc/40/75/20/439407520.db2.gz KVKJXLHUTVVPTJ-CQSZACIVSA-N 1 1 327.425 0.094 20 30 ECEDMO COCC[N@H+](CC(=O)N(C)C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599263658 439407526 /nfs/dbraw/zinc/40/75/26/439407526.db2.gz KVKJXLHUTVVPTJ-CQSZACIVSA-N 1 1 327.425 0.094 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000491629118 439414102 /nfs/dbraw/zinc/41/41/02/439414102.db2.gz NZRZWTWLHLYHOD-HIFRSBDPSA-N 1 1 332.448 0.783 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000593597848 439418034 /nfs/dbraw/zinc/41/80/34/439418034.db2.gz LWRBJEAHDLJBPS-OCCSQVGLSA-N 1 1 349.412 0.669 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)ncc1C#N ZINC000583094123 439420305 /nfs/dbraw/zinc/42/03/05/439420305.db2.gz RAQYOHQSDNMJEF-GFCCVEGCSA-N 1 1 327.388 0.967 20 30 ECEDMO C#CCN1C(=O)C[C@@H](N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000491719402 439435508 /nfs/dbraw/zinc/43/55/08/439435508.db2.gz ZTVGPSBSZWVQCF-NVXWUHKLSA-N 1 1 325.412 0.953 20 30 ECEDMO C#CCN1C(=O)C[C@@H](N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000491719402 439435511 /nfs/dbraw/zinc/43/55/11/439435511.db2.gz ZTVGPSBSZWVQCF-NVXWUHKLSA-N 1 1 325.412 0.953 20 30 ECEDMO C#CCNC(=O)CCNc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000491729155 439437663 /nfs/dbraw/zinc/43/76/63/439437663.db2.gz NIBDTQZMCDCBEX-UHFFFAOYSA-N 1 1 342.443 0.902 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@H+](CCOC)CC1(C)C ZINC000593657010 439438180 /nfs/dbraw/zinc/43/81/80/439438180.db2.gz KMTPSNGPMOCCAP-UHFFFAOYSA-N 1 1 332.470 0.509 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@@H+](CCOC)CC1(C)C ZINC000593657010 439438184 /nfs/dbraw/zinc/43/81/84/439438184.db2.gz KMTPSNGPMOCCAP-UHFFFAOYSA-N 1 1 332.470 0.509 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)CC1 ZINC000491777336 439448320 /nfs/dbraw/zinc/44/83/20/439448320.db2.gz WVYZCXMZZZJLRG-QGZVFWFLSA-N 1 1 334.464 0.002 20 30 ECEDMO N#CC1(CS(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCCC1 ZINC000599397240 439455019 /nfs/dbraw/zinc/45/50/19/439455019.db2.gz XUXFTUVEJOOADW-ZDUSSCGKSA-N 1 1 342.465 0.330 20 30 ECEDMO N#CC1(CS(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCCC1 ZINC000599397240 439455029 /nfs/dbraw/zinc/45/50/29/439455029.db2.gz XUXFTUVEJOOADW-ZDUSSCGKSA-N 1 1 342.465 0.330 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000599562215 439505750 /nfs/dbraw/zinc/50/57/50/439505750.db2.gz FPPZPETWRXQDEM-QGZVFWFLSA-N 1 1 331.372 0.438 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000599562215 439505755 /nfs/dbraw/zinc/50/57/55/439505755.db2.gz FPPZPETWRXQDEM-QGZVFWFLSA-N 1 1 331.372 0.438 20 30 ECEDMO C[C@H](C#N)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000609921450 439594740 /nfs/dbraw/zinc/59/47/40/439594740.db2.gz XVJYYYRZIWYVMO-CQSZACIVSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000610002926 439595686 /nfs/dbraw/zinc/59/56/86/439595686.db2.gz RFKMLNQBJUFDGW-HUUCEWRRSA-N 1 1 338.452 0.573 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000600213730 439622512 /nfs/dbraw/zinc/62/25/12/439622512.db2.gz OOJZCWLBUHMDPZ-GFCCVEGCSA-N 1 1 348.432 0.362 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000600213730 439622516 /nfs/dbraw/zinc/62/25/16/439622516.db2.gz OOJZCWLBUHMDPZ-GFCCVEGCSA-N 1 1 348.432 0.362 20 30 ECEDMO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522562 439702547 /nfs/dbraw/zinc/70/25/47/439702547.db2.gz IYJJQPRQSGPWLD-AWEZNQCLSA-N 1 1 343.431 0.591 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@](C)(C#N)C2)CC1 ZINC000612131358 439677577 /nfs/dbraw/zinc/67/75/77/439677577.db2.gz YXSMOFBBSOZOHR-QGZVFWFLSA-N 1 1 335.452 0.874 20 30 ECEDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@H]1C ZINC000611248881 439685601 /nfs/dbraw/zinc/68/56/01/439685601.db2.gz FCIMYWZVNDIJPY-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@H]1C ZINC000611248881 439685603 /nfs/dbraw/zinc/68/56/03/439685603.db2.gz FCIMYWZVNDIJPY-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600719088 439695393 /nfs/dbraw/zinc/69/53/93/439695393.db2.gz BOAFWTKFLJGJCQ-NVXWUHKLSA-N 1 1 332.448 0.523 20 30 ECEDMO CN1CCN(c2ncccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600723179 439696181 /nfs/dbraw/zinc/69/61/81/439696181.db2.gz WHGQYVYCJCHZBV-MRXNPFEDSA-N 1 1 329.448 0.978 20 30 ECEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000611432350 439696590 /nfs/dbraw/zinc/69/65/90/439696590.db2.gz UVMLKVDVVVURBU-BBWFWOEESA-N 1 1 325.453 0.709 20 30 ECEDMO N#CC1(C[C@H](O)CNC[C@H](O)C[NH+]2CCCCC2)CCOCC1 ZINC000600740621 439696675 /nfs/dbraw/zinc/69/66/75/439696675.db2.gz ZNRLDFPQEUZTCS-HOTGVXAUSA-N 1 1 325.453 0.494 20 30 ECEDMO CC(C)NS(=O)(=O)N1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595477240 439732870 /nfs/dbraw/zinc/73/28/70/439732870.db2.gz RMAANQCUQOVPMA-UHFFFAOYSA-N 1 1 336.461 0.961 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)nn1 ZINC001041733258 782079473 /nfs/dbraw/zinc/07/94/73/782079473.db2.gz ROIAEDIGPASZRD-GUYCJALGSA-N 1 1 346.435 0.266 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641668528 439886757 /nfs/dbraw/zinc/88/67/57/439886757.db2.gz BHTLCKUKRNOICZ-WBVHZDCISA-N 1 1 325.453 0.226 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@]3(C)CCCS3(=O)=O)C2)C1 ZINC001041736027 782084782 /nfs/dbraw/zinc/08/47/82/782084782.db2.gz LKPAKGUGRZKDOC-SJORKVTESA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@]3(C)CCCS3(=O)=O)C2)C1 ZINC001041736027 782084795 /nfs/dbraw/zinc/08/47/95/782084795.db2.gz LKPAKGUGRZKDOC-SJORKVTESA-N 1 1 338.473 0.901 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)CC1 ZINC000664019919 440217254 /nfs/dbraw/zinc/21/72/54/440217254.db2.gz OEFOMNWPFIVFSV-OCCSQVGLSA-N 1 1 329.466 0.902 20 30 ECEDMO C=C(C)[C@@H](CO)[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000649381290 440489664 /nfs/dbraw/zinc/48/96/64/440489664.db2.gz HAVSWCIBFPHFOF-MRXNPFEDSA-N 1 1 328.420 0.717 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000645036000 440733211 /nfs/dbraw/zinc/73/32/11/440733211.db2.gz PFMVXUASMSLAFJ-BBWFWOEESA-N 1 1 336.480 0.999 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)nn1 ZINC000645036989 440733386 /nfs/dbraw/zinc/73/33/86/440733386.db2.gz OXMZSRSLVDTRMM-HNNXBMFYSA-N 1 1 334.424 0.470 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001041736511 782086166 /nfs/dbraw/zinc/08/61/66/782086166.db2.gz STAJKMZUADGRLO-HOCLYGCPSA-N 1 1 341.477 0.521 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001077992012 782092712 /nfs/dbraw/zinc/09/27/12/782092712.db2.gz CVSYGCXSZJNQSE-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001077992012 782092721 /nfs/dbraw/zinc/09/27/21/782092721.db2.gz CVSYGCXSZJNQSE-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO COC[C@H](C)OC[C@H](O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000567102651 322569774 /nfs/dbraw/zinc/56/97/74/322569774.db2.gz BJKSYMHOJDBWQX-GOEBONIOSA-N 1 1 334.420 0.488 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000567121748 322571173 /nfs/dbraw/zinc/57/11/73/322571173.db2.gz OHIAFBVPVBQLNX-CYBMUJFWSA-N 1 1 328.420 0.727 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001041742781 782100937 /nfs/dbraw/zinc/10/09/37/782100937.db2.gz DTIWTRVOKRJTCQ-OAHLLOKOSA-N 1 1 340.811 0.215 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001041742781 782100943 /nfs/dbraw/zinc/10/09/43/782100943.db2.gz DTIWTRVOKRJTCQ-OAHLLOKOSA-N 1 1 340.811 0.215 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC001041745383 782109026 /nfs/dbraw/zinc/10/90/26/782109026.db2.gz WVOSPOFQSIGKDB-SFHVURJKSA-N 1 1 328.416 0.825 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N4CCOCC4)CCC3)C2)C1 ZINC001041764916 782155970 /nfs/dbraw/zinc/15/59/70/782155970.db2.gz GAXUPRVWDDJTFF-GOSISDBHSA-N 1 1 331.460 0.799 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000264916870 536649244 /nfs/dbraw/zinc/64/92/44/536649244.db2.gz VEOUOHVOUGLQNI-UHFFFAOYSA-N 1 1 348.428 0.670 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC(=O)N2CCCC2)C1 ZINC000328867729 546007913 /nfs/dbraw/zinc/00/79/13/546007913.db2.gz OKPQWYSGLKPJOM-CQSZACIVSA-N 1 1 326.441 0.469 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000329048862 546013274 /nfs/dbraw/zinc/01/32/74/546013274.db2.gz KFICWVCHZHNEBA-DLBZAZTESA-N 1 1 333.432 0.693 20 30 ECEDMO C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329343363 546021095 /nfs/dbraw/zinc/02/10/95/546021095.db2.gz CFPISVUWQHHFBC-CMPLNLGQSA-N 1 1 339.469 0.691 20 30 ECEDMO C[C@H](NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CCCCO1 ZINC000329417772 546023769 /nfs/dbraw/zinc/02/37/69/546023769.db2.gz DLTOMSIQFHQWMU-GJZGRUSLSA-N 1 1 340.468 0.954 20 30 ECEDMO Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000330005451 546037282 /nfs/dbraw/zinc/03/72/82/546037282.db2.gz DGMATVMXGMQLDT-AWEZNQCLSA-N 1 1 345.451 0.773 20 30 ECEDMO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000330338988 546044361 /nfs/dbraw/zinc/04/43/61/546044361.db2.gz WDEZVMWOUPKONG-CWRNSKLLSA-N 1 1 333.436 0.844 20 30 ECEDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000619516852 546338158 /nfs/dbraw/zinc/33/81/58/546338158.db2.gz KZAJGZRJNBIHFE-ZVZYQTTQSA-N 1 1 334.416 0.964 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000619709954 546360079 /nfs/dbraw/zinc/36/00/79/546360079.db2.gz PPCPTOQKQJLYJL-UHFFFAOYSA-N 1 1 330.454 0.263 20 30 ECEDMO C=CCOc1cccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c1 ZINC000623792788 546842010 /nfs/dbraw/zinc/84/20/10/546842010.db2.gz CQAJYSGXLJYUHM-UHFFFAOYSA-N 1 1 325.434 0.832 20 30 ECEDMO C[C@@H]1OCC[C@H]1[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCO ZINC000625386350 547086327 /nfs/dbraw/zinc/08/63/27/547086327.db2.gz BBGLUJXGQFPFOL-WMLDXEAASA-N 1 1 342.395 0.758 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000668728341 547736769 /nfs/dbraw/zinc/73/67/69/547736769.db2.gz OWZYFGILSMIUDO-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCn1c(COC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000685534218 549705214 /nfs/dbraw/zinc/70/52/14/549705214.db2.gz HJBDIKFZUCVMDK-AWEZNQCLSA-N 1 1 348.451 0.353 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)nc1 ZINC001078030035 782174824 /nfs/dbraw/zinc/17/48/24/782174824.db2.gz DTLWRQABZYPQBM-RTBURBONSA-N 1 1 346.390 0.910 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)nc1 ZINC001078030035 782174828 /nfs/dbraw/zinc/17/48/28/782174828.db2.gz DTLWRQABZYPQBM-RTBURBONSA-N 1 1 346.390 0.910 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC001041777129 782181578 /nfs/dbraw/zinc/18/15/78/782181578.db2.gz IFNUVHZGAFKIAN-CRAIPNDOSA-N 1 1 343.431 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000756550693 579451255 /nfs/dbraw/zinc/45/12/55/579451255.db2.gz MASRDBYYARQHOM-GFCCVEGCSA-N 1 1 343.387 0.642 20 30 ECEDMO O=S1(=O)CC[C@@H](N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000727251841 578157360 /nfs/dbraw/zinc/15/73/60/578157360.db2.gz ITVLHVOQESOFGQ-CYBMUJFWSA-N 1 1 341.408 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)c1cccc(OC)c1 ZINC000730274310 578304410 /nfs/dbraw/zinc/30/44/10/578304410.db2.gz BIPYCWPGUXSEGM-INIZCTEOSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)c1cccc(OC)c1 ZINC000730274310 578304411 /nfs/dbraw/zinc/30/44/11/578304411.db2.gz BIPYCWPGUXSEGM-INIZCTEOSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCCCOC)CC1 ZINC000730279230 578304582 /nfs/dbraw/zinc/30/45/82/578304582.db2.gz MJLLUURTEVYJHD-INIZCTEOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCCCOC)CC1 ZINC000730279230 578304583 /nfs/dbraw/zinc/30/45/83/578304583.db2.gz MJLLUURTEVYJHD-INIZCTEOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2N=NC(=S)N2C)CC1 ZINC000731810843 578315599 /nfs/dbraw/zinc/31/55/99/578315599.db2.gz UNMBCIFZGPGPMO-ZDUSSCGKSA-N 1 1 333.461 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2N=NC(=S)N2C)CC1 ZINC000731810843 578315601 /nfs/dbraw/zinc/31/56/01/578315601.db2.gz UNMBCIFZGPGPMO-ZDUSSCGKSA-N 1 1 333.461 0.907 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCN1C1CC1 ZINC000732677382 578328714 /nfs/dbraw/zinc/32/87/14/578328714.db2.gz MCQYSNGPVXXSGU-BZUAXINKSA-N 1 1 333.436 0.231 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000736317015 578423250 /nfs/dbraw/zinc/42/32/50/578423250.db2.gz FXBMUJUABVYAJI-UHFFFAOYSA-N 1 1 328.413 0.845 20 30 ECEDMO N#Cc1nccnc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737729947 578520433 /nfs/dbraw/zinc/52/04/33/578520433.db2.gz HKCLWBFNOSLSDS-UHFFFAOYSA-N 1 1 347.386 0.851 20 30 ECEDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000780867137 578701817 /nfs/dbraw/zinc/70/18/17/578701817.db2.gz ZYKHXZPBWPCMIP-LLVKDONJSA-N 1 1 327.381 0.696 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000780867137 578701819 /nfs/dbraw/zinc/70/18/19/578701819.db2.gz ZYKHXZPBWPCMIP-LLVKDONJSA-N 1 1 327.381 0.696 20 30 ECEDMO CCN1CC[NH+](CCCNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780887894 578702183 /nfs/dbraw/zinc/70/21/83/578702183.db2.gz IVCBHQGAJAQMLL-QGZVFWFLSA-N 1 1 330.432 0.735 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000780943912 578703450 /nfs/dbraw/zinc/70/34/50/578703450.db2.gz OLFHOIMGMVSICU-ZWKOTPCHSA-N 1 1 342.443 0.830 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)NCC[N@H+]2CCCOCC2)nc1 ZINC000782924854 578735905 /nfs/dbraw/zinc/73/59/05/578735905.db2.gz CXXNPVRSXTWDAH-UHFFFAOYSA-N 1 1 332.408 0.387 20 30 ECEDMO N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000788801753 578843945 /nfs/dbraw/zinc/84/39/45/578843945.db2.gz BYIGWRPVYBFTTL-CYBMUJFWSA-N 1 1 344.390 0.914 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000790266481 578870926 /nfs/dbraw/zinc/87/09/26/578870926.db2.gz YTFWRUQOYNKGNS-QWRGUYRKSA-N 1 1 330.226 0.754 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1CCCO1 ZINC000793843324 578940844 /nfs/dbraw/zinc/94/08/44/578940844.db2.gz IQQAMFUNDCNEJG-DLBZAZTESA-N 1 1 343.427 0.532 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000766344617 579085911 /nfs/dbraw/zinc/08/59/11/579085911.db2.gz BPYCQVYPSSTZBQ-INIZCTEOSA-N 1 1 326.400 0.442 20 30 ECEDMO CCCCCCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000774767522 579255968 /nfs/dbraw/zinc/25/59/68/579255968.db2.gz RWJWGFSMUHROLJ-OAHLLOKOSA-N 1 1 326.485 0.825 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1nc(CC(=O)OC)cs1)[C@H]1CCCO1 ZINC000775792192 579271370 /nfs/dbraw/zinc/27/13/70/579271370.db2.gz YKDPDJQUIGWPQB-NWDGAFQWSA-N 1 1 337.401 0.568 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCCO1 ZINC000775798533 579271582 /nfs/dbraw/zinc/27/15/82/579271582.db2.gz KACUPFHRPYJFHV-STQMWFEESA-N 1 1 345.355 0.834 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000764805937 579580296 /nfs/dbraw/zinc/58/02/96/579580296.db2.gz LQGJNLPDMFVXFM-CQSZACIVSA-N 1 1 329.466 0.903 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000764805937 579580297 /nfs/dbraw/zinc/58/02/97/579580297.db2.gz LQGJNLPDMFVXFM-CQSZACIVSA-N 1 1 329.466 0.903 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2C[C@@H](C)C[C@H]2CC)c1=O ZINC000744443510 579809676 /nfs/dbraw/zinc/80/96/76/579809676.db2.gz KRXZXLSRYGNUMX-UONOGXRCSA-N 1 1 334.420 0.622 20 30 ECEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746288246 579835443 /nfs/dbraw/zinc/83/54/43/579835443.db2.gz VIBVPPLIVAWRQO-CMTMBAJVSA-N 1 1 334.420 0.702 20 30 ECEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746378185 579837355 /nfs/dbraw/zinc/83/73/55/579837355.db2.gz PRGMQTJAIKHECG-STQMWFEESA-N 1 1 332.408 0.582 20 30 ECEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746406374 579838375 /nfs/dbraw/zinc/83/83/75/579838375.db2.gz PMVYPOWJBKCLND-CQSZACIVSA-N 1 1 332.408 0.726 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000837859401 588963368 /nfs/dbraw/zinc/96/33/68/588963368.db2.gz OOQPOPXWAVHAAJ-HNNXBMFYSA-N 1 1 346.435 0.511 20 30 ECEDMO C#CC[C@H](NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)C(=O)OC ZINC000837941387 588966489 /nfs/dbraw/zinc/96/64/89/588966489.db2.gz FQIMYBGWDPXHAX-ZNMIVQPWSA-N 1 1 349.431 0.000 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCNc1ccc(C#N)cn1 ZINC000842175930 589017262 /nfs/dbraw/zinc/01/72/62/589017262.db2.gz YAZHUYNVHWYKRS-KBPBESRZSA-N 1 1 346.435 0.462 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000804777635 586064175 /nfs/dbraw/zinc/06/41/75/586064175.db2.gz IHGAUDCHRRRZPU-WPCFGXOUSA-N 1 1 334.420 0.894 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000896234995 586228573 /nfs/dbraw/zinc/22/85/73/586228573.db2.gz BZZXGIUZIPLCJC-UHFFFAOYSA-N 1 1 341.415 0.188 20 30 ECEDMO CN1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+](C)CC1 ZINC000896266017 586231640 /nfs/dbraw/zinc/23/16/40/586231640.db2.gz XIIPDISRKLWQMI-SFHVURJKSA-N 1 1 341.459 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)OC)C[C@H]32)C1 ZINC000896489414 586243839 /nfs/dbraw/zinc/24/38/39/586243839.db2.gz OABXYRHECUWLQF-CWVYHPPDSA-N 1 1 333.432 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)OC)C[C@H]32)C1 ZINC000896489414 586243840 /nfs/dbraw/zinc/24/38/40/586243840.db2.gz OABXYRHECUWLQF-CWVYHPPDSA-N 1 1 333.432 0.971 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1nc(C#N)cs1 ZINC000897282215 586293766 /nfs/dbraw/zinc/29/37/66/586293766.db2.gz FMNOFVQARKXQHC-LBPRGKRZSA-N 1 1 336.465 0.840 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CCCC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000897551507 586343294 /nfs/dbraw/zinc/34/32/94/586343294.db2.gz ZKWVJFJWSPXNSX-GJZGRUSLSA-N 1 1 341.477 0.550 20 30 ECEDMO C[C@](N)(C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)c1ccc(Br)cc1 ZINC000841849946 586380333 /nfs/dbraw/zinc/38/03/33/586380333.db2.gz QJXWDSCSKTXMOJ-DUFXMDAXSA-N 1 1 337.221 0.851 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@]2(C#N)CC3CCC2CC3)CC1 ZINC000899139988 586472465 /nfs/dbraw/zinc/47/24/65/586472465.db2.gz RQBVQKYFSMKTHG-JTTJXQCZSA-N 1 1 332.448 0.987 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cccc(Nc3nn[nH]n3)c2)CC1 ZINC000900474415 586636922 /nfs/dbraw/zinc/63/69/22/586636922.db2.gz QJLPOVGGOWZJTQ-UHFFFAOYSA-N 1 1 325.376 0.724 20 30 ECEDMO C#CCN(CN1C[C@@]2(CN3CCC2CC3)OC1=O)C1CC[NH+](C)CC1 ZINC000902540643 586741329 /nfs/dbraw/zinc/74/13/29/586741329.db2.gz TUFBFPUHYRUWHB-LJQANCHMSA-N 1 1 346.475 0.890 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000838622714 586818836 /nfs/dbraw/zinc/81/88/36/586818836.db2.gz YWRQYXZKLRVBGQ-ZBFHGGJFSA-N 1 1 330.432 0.898 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1F ZINC000838623718 586819384 /nfs/dbraw/zinc/81/93/84/586819384.db2.gz IOHOBGYJURDGRX-MRXNPFEDSA-N 1 1 346.406 0.963 20 30 ECEDMO C#CCCCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000804983052 586868219 /nfs/dbraw/zinc/86/82/19/586868219.db2.gz JIZNRTXMDYDRDK-AWEZNQCLSA-N 1 1 329.466 0.262 20 30 ECEDMO C#CCCCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000804983052 586868220 /nfs/dbraw/zinc/86/82/20/586868220.db2.gz JIZNRTXMDYDRDK-AWEZNQCLSA-N 1 1 329.466 0.262 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000905452485 586892881 /nfs/dbraw/zinc/89/28/81/586892881.db2.gz ORKCKZVQGHUPTJ-OAHLLOKOSA-N 1 1 347.440 0.932 20 30 ECEDMO CSc1ccc(C[NH2+]C[C@H](O)CN2CCN(C)CC2)cc1C#N ZINC000905463921 586896100 /nfs/dbraw/zinc/89/61/00/586896100.db2.gz BFGJMZSFAJHEAA-INIZCTEOSA-N 1 1 334.489 0.978 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000905773145 586914249 /nfs/dbraw/zinc/91/42/49/586914249.db2.gz BKIISOCUDJQRNY-UHFFFAOYSA-N 1 1 342.447 0.095 20 30 ECEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905904007 586921460 /nfs/dbraw/zinc/92/14/60/586921460.db2.gz HCNXZXKYPDGDDC-KBXCAEBGSA-N 1 1 349.406 0.722 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC2)c(F)c1 ZINC000905926793 586922966 /nfs/dbraw/zinc/92/29/66/586922966.db2.gz ITZIZNKDSGOTLF-CRAIPNDOSA-N 1 1 349.406 0.722 20 30 ECEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905910323 586925378 /nfs/dbraw/zinc/92/53/78/586925378.db2.gz ASIUVHNEYRFPEK-MJGOQNOKSA-N 1 1 345.443 0.973 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cn(C)c(C)n1 ZINC000800806453 586974008 /nfs/dbraw/zinc/97/40/08/586974008.db2.gz GLCNBTLMGHAIRJ-UHFFFAOYSA-N 1 1 338.481 0.639 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCCO[C@@H](C)C#N)CC1=O ZINC000801861505 587005164 /nfs/dbraw/zinc/00/51/64/587005164.db2.gz IISAKNOYUYROSX-RRFJBIMHSA-N 1 1 337.420 0.791 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)nc1 ZINC000907023713 587007291 /nfs/dbraw/zinc/00/72/91/587007291.db2.gz AAXPTFBGORQTQU-AWEZNQCLSA-N 1 1 336.417 0.296 20 30 ECEDMO C[N@H+]1CCN(CCNS(=O)(=O)c2ccc(C#N)cn2)CC1(C)C ZINC000907177320 587020052 /nfs/dbraw/zinc/02/00/52/587020052.db2.gz VPYHVDBYISTQBC-UHFFFAOYSA-N 1 1 337.449 0.258 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000907393269 587040068 /nfs/dbraw/zinc/04/00/68/587040068.db2.gz CWNHINLKBVGWBA-UHFFFAOYSA-N 1 1 339.403 0.571 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1CC)[C@H]1CCCO1 ZINC000806252214 587091926 /nfs/dbraw/zinc/09/19/26/587091926.db2.gz DGNODNORHQXWKB-OWCLPIDISA-N 1 1 335.448 0.664 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCNc2ccc(C#N)cn2)[C@H](C)C1 ZINC000806412025 587095607 /nfs/dbraw/zinc/09/56/07/587095607.db2.gz JBOYFPDDVUFUPI-KGLIPLIRSA-N 1 1 346.435 0.462 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000807384690 587126149 /nfs/dbraw/zinc/12/61/49/587126149.db2.gz QKVWWBKPILVFJB-GJZGRUSLSA-N 1 1 332.404 0.385 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000809363754 587176423 /nfs/dbraw/zinc/17/64/23/587176423.db2.gz XNBPFARCMXSLER-UWVGGRQHSA-N 1 1 330.226 0.753 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1C#N ZINC000809503949 587179093 /nfs/dbraw/zinc/17/90/93/587179093.db2.gz MTZQVCROWUBFSM-CQSZACIVSA-N 1 1 330.388 0.393 20 30 ECEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000811646071 587222965 /nfs/dbraw/zinc/22/29/65/587222965.db2.gz JTIYADYHIVIBQS-VXGBXAGGSA-N 1 1 340.387 0.800 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)CC1 ZINC000815186029 587284044 /nfs/dbraw/zinc/28/40/44/587284044.db2.gz OOPJRKKCRATHAB-OAHLLOKOSA-N 1 1 327.432 0.885 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000815704851 587296153 /nfs/dbraw/zinc/29/61/53/587296153.db2.gz RUNWYBXZEAKHAX-CJNGLKHVSA-N 1 1 327.384 0.800 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000815703584 587296300 /nfs/dbraw/zinc/29/63/00/587296300.db2.gz INYAYUYAHZEDML-UKRRQHHQSA-N 1 1 327.384 0.800 20 30 ECEDMO C#CCN1C(=O)C[C@H](N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000821771851 587629966 /nfs/dbraw/zinc/62/99/66/587629966.db2.gz PBHSQXJEBGMFPD-KRWDZBQOSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000823208797 587710262 /nfs/dbraw/zinc/71/02/62/587710262.db2.gz MUXZTUUWMOYDES-INIZCTEOSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000823850968 587745889 /nfs/dbraw/zinc/74/58/89/587745889.db2.gz WSFYUWAJPRKZHZ-CQSZACIVSA-N 1 1 341.371 0.886 20 30 ECEDMO C#CCN(CC(=O)N[C@H]1CC[N@H+](CCOC)C1)C(=O)OC(C)(C)C ZINC000826796850 588083718 /nfs/dbraw/zinc/08/37/18/588083718.db2.gz NLRVYTJYIRLWSX-AWEZNQCLSA-N 1 1 339.436 0.694 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000827276240 588109772 /nfs/dbraw/zinc/10/97/72/588109772.db2.gz BVWTZSYIAVJGDI-CVEARBPZSA-N 1 1 326.400 0.841 20 30 ECEDMO C#CCC[NH+]1CCN(Cc2nc(-c3cc(OC)ncn3)no2)CC1 ZINC000828519608 588186608 /nfs/dbraw/zinc/18/66/08/588186608.db2.gz WHZAZQDZRVFDIT-UHFFFAOYSA-N 1 1 328.376 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)C1 ZINC000829582047 588330982 /nfs/dbraw/zinc/33/09/82/588330982.db2.gz IJXJZDDWHORNNS-HUUCEWRRSA-N 1 1 343.431 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)C1 ZINC000829582047 588330984 /nfs/dbraw/zinc/33/09/84/588330984.db2.gz IJXJZDDWHORNNS-HUUCEWRRSA-N 1 1 343.431 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)C1 ZINC000829582050 588331041 /nfs/dbraw/zinc/33/10/41/588331041.db2.gz IJXJZDDWHORNNS-LSDHHAIUSA-N 1 1 343.431 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)C1 ZINC000829582050 588331043 /nfs/dbraw/zinc/33/10/43/588331043.db2.gz IJXJZDDWHORNNS-LSDHHAIUSA-N 1 1 343.431 0.377 20 30 ECEDMO C#CC[C@H]1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000829785854 588341852 /nfs/dbraw/zinc/34/18/52/588341852.db2.gz ZWMHIIZCYRBBRJ-AWEZNQCLSA-N 1 1 329.466 0.119 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCC(C#N)(C(=O)OC)CC2)CC1 ZINC000831686977 588441718 /nfs/dbraw/zinc/44/17/18/588441718.db2.gz FNZNMOFJTJAFTO-AWEZNQCLSA-N 1 1 336.436 0.318 20 30 ECEDMO C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC)C2)C1=O ZINC000844272567 589105807 /nfs/dbraw/zinc/10/58/07/589105807.db2.gz KRAQRDBTRIMQLI-XHSDSOJGSA-N 1 1 340.379 0.636 20 30 ECEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 ZINC000847021470 589233204 /nfs/dbraw/zinc/23/32/04/589233204.db2.gz MEACOXSALQBXSN-ZDUSSCGKSA-N 1 1 335.429 0.926 20 30 ECEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 ZINC000847021470 589233205 /nfs/dbraw/zinc/23/32/05/589233205.db2.gz MEACOXSALQBXSN-ZDUSSCGKSA-N 1 1 335.429 0.926 20 30 ECEDMO C=CCNC(=O)CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849578773 589341856 /nfs/dbraw/zinc/34/18/56/589341856.db2.gz XQNBEOGXJVOWAV-HOTGVXAUSA-N 1 1 347.463 0.652 20 30 ECEDMO C=CCNC(=O)CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849578771 589341972 /nfs/dbraw/zinc/34/19/72/589341972.db2.gz XQNBEOGXJVOWAV-CVEARBPZSA-N 1 1 347.463 0.652 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000852357877 589492247 /nfs/dbraw/zinc/49/22/47/589492247.db2.gz JNCXFTPHUAJALJ-UHFFFAOYSA-N 1 1 329.466 0.456 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000853713404 589556249 /nfs/dbraw/zinc/55/62/49/589556249.db2.gz QNTGAESASGVDBV-TZFAWSOVSA-N 1 1 349.435 0.685 20 30 ECEDMO CCc1noc(C[C@]2(O)CCC[N@@H+](CC(=O)N(CC)CCC#N)C2)n1 ZINC000856674883 589670117 /nfs/dbraw/zinc/67/01/17/589670117.db2.gz QIDBRHZERFFACQ-QGZVFWFLSA-N 1 1 349.435 0.764 20 30 ECEDMO CCc1noc(C[C@]2(O)CCC[N@H+](CC(=O)N(CC)CCC#N)C2)n1 ZINC000856674883 589670119 /nfs/dbraw/zinc/67/01/19/589670119.db2.gz QIDBRHZERFFACQ-QGZVFWFLSA-N 1 1 349.435 0.764 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)Cc2ccc(C#N)nc2)CC1 ZINC000860248754 589754911 /nfs/dbraw/zinc/75/49/11/589754911.db2.gz NFDJSTHPBOAYHF-ZDUSSCGKSA-N 1 1 330.388 0.592 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000866675584 589757296 /nfs/dbraw/zinc/75/72/96/589757296.db2.gz OMYMACRLKCNXQY-LSDHHAIUSA-N 1 1 335.429 0.894 20 30 ECEDMO COC(=O)N(C)CC[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000859349426 589824978 /nfs/dbraw/zinc/82/49/78/589824978.db2.gz AJUSWYZMHUPQGI-UHFFFAOYSA-N 1 1 343.383 0.916 20 30 ECEDMO COC(=O)N(C)CC[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000859349426 589824979 /nfs/dbraw/zinc/82/49/79/589824979.db2.gz AJUSWYZMHUPQGI-UHFFFAOYSA-N 1 1 343.383 0.916 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868235613 589883123 /nfs/dbraw/zinc/88/31/23/589883123.db2.gz BTJKZJCXVGYPGA-IAGOWNOFSA-N 1 1 327.432 0.570 20 30 ECEDMO C#CC[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000862566860 589943579 /nfs/dbraw/zinc/94/35/79/589943579.db2.gz VHZITXITBLULLE-DLBZAZTESA-N 1 1 347.459 0.572 20 30 ECEDMO N#CCc1ccccc1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000862647614 589953607 /nfs/dbraw/zinc/95/36/07/589953607.db2.gz QNRNHYMHWKYGRK-INIZCTEOSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCc3nc(COC)nn3C2)C1 ZINC000888559160 590053575 /nfs/dbraw/zinc/05/35/75/590053575.db2.gz KSQJPGMSDULCTJ-KBPBESRZSA-N 1 1 346.435 0.136 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCc3nc(COC)nn3C2)C1 ZINC000888559160 590053578 /nfs/dbraw/zinc/05/35/78/590053578.db2.gz KSQJPGMSDULCTJ-KBPBESRZSA-N 1 1 346.435 0.136 20 30 ECEDMO COC(=O)CCN(CC#N)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000871341562 590060658 /nfs/dbraw/zinc/06/06/58/590060658.db2.gz ZPDPDNOCUYNLJS-SFHVURJKSA-N 1 1 345.399 0.539 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872617627 590133675 /nfs/dbraw/zinc/13/36/75/590133675.db2.gz OEQWGZWMEYQYHK-LSDHHAIUSA-N 1 1 335.429 0.696 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1 ZINC000872617230 590133691 /nfs/dbraw/zinc/13/36/91/590133691.db2.gz OMTOIALANUXZPW-LSDHHAIUSA-N 1 1 335.429 0.582 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)c(F)cc2C)C1 ZINC000873726908 590198735 /nfs/dbraw/zinc/19/87/35/590198735.db2.gz QPETYVZLGXYGDL-CYBMUJFWSA-N 1 1 348.378 0.781 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000873774312 590201136 /nfs/dbraw/zinc/20/11/36/590201136.db2.gz JFFJZACAWDHEIN-NHYWBVRUSA-N 1 1 348.378 0.780 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000873774312 590201138 /nfs/dbraw/zinc/20/11/38/590201138.db2.gz JFFJZACAWDHEIN-NHYWBVRUSA-N 1 1 348.378 0.780 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)n(CCC#N)n1 ZINC000874365481 590234838 /nfs/dbraw/zinc/23/48/38/590234838.db2.gz CMTLBLYULDHLSH-KGLIPLIRSA-N 1 1 344.419 0.739 20 30 ECEDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000874832880 590253701 /nfs/dbraw/zinc/25/37/01/590253701.db2.gz HYBHIMKKRHZJRJ-HOTGVXAUSA-N 1 1 326.400 0.983 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000875374440 590297177 /nfs/dbraw/zinc/29/71/77/590297177.db2.gz JPNGTJZCIKKGAG-GDBMZVCRSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000875445007 590302511 /nfs/dbraw/zinc/30/25/11/590302511.db2.gz QQASKCOGFVXUJS-BZUAXINKSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000875465390 590304004 /nfs/dbraw/zinc/30/40/04/590304004.db2.gz QBGCJHZQOFPSOZ-IAGOWNOFSA-N 1 1 343.427 0.532 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000875465390 590304006 /nfs/dbraw/zinc/30/40/06/590304006.db2.gz QBGCJHZQOFPSOZ-IAGOWNOFSA-N 1 1 343.427 0.532 20 30 ECEDMO CN(C(=O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)C1(C#N)CCCCC1 ZINC000879531278 590318625 /nfs/dbraw/zinc/31/86/25/590318625.db2.gz CBNFBBPLQMDCOS-BETUJISGSA-N 1 1 332.404 0.218 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](O)CC(C)(C)C2)CC1 ZINC000879623094 590329685 /nfs/dbraw/zinc/32/96/85/590329685.db2.gz RNIJJUJGYFBWHZ-CVEARBPZSA-N 1 1 336.480 0.772 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000875917368 590346225 /nfs/dbraw/zinc/34/62/25/590346225.db2.gz BZVNTLFAZQJAFU-HNNXBMFYSA-N 1 1 325.453 0.903 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000875925369 590347241 /nfs/dbraw/zinc/34/72/41/590347241.db2.gz QFUDUYOOKYHECV-RDJZCZTQSA-N 1 1 336.480 0.835 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000875925369 590347242 /nfs/dbraw/zinc/34/72/42/590347242.db2.gz QFUDUYOOKYHECV-RDJZCZTQSA-N 1 1 336.480 0.835 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000880018416 590361521 /nfs/dbraw/zinc/36/15/21/590361521.db2.gz BVGFONBQAJEHCQ-AWEZNQCLSA-N 1 1 325.453 0.884 20 30 ECEDMO Cc1oc(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(C#N)c1C ZINC000880070949 590365835 /nfs/dbraw/zinc/36/58/35/590365835.db2.gz OVOUKCGANLJFNJ-UONOGXRCSA-N 1 1 332.404 0.848 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000876281172 590371203 /nfs/dbraw/zinc/37/12/03/590371203.db2.gz GPBAEIDBAJCWHS-GUYCJALGSA-N 1 1 328.416 0.733 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(=O)OC)C2)CC1 ZINC000880327795 590383918 /nfs/dbraw/zinc/38/39/18/590383918.db2.gz QDKNOEGBBSLMIE-YJBOKZPZSA-N 1 1 333.432 0.039 20 30 ECEDMO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876673546 590396922 /nfs/dbraw/zinc/39/69/22/590396922.db2.gz OERZWMNVPWGQEN-HSMVNMDESA-N 1 1 347.440 0.779 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880527731 590400318 /nfs/dbraw/zinc/40/03/18/590400318.db2.gz UOUYPMLRCYCEDV-FRFSOERESA-N 1 1 329.400 0.898 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876849262 590419352 /nfs/dbraw/zinc/41/93/52/590419352.db2.gz XRNOIVAPKJNIDG-FUHWJXTLSA-N 1 1 339.443 0.251 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)nc3nc(C)nn32)CC1 ZINC000881981996 590502825 /nfs/dbraw/zinc/50/28/25/590502825.db2.gz QBRASTAPFUYVFK-UHFFFAOYSA-N 1 1 341.419 0.003 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)nc3nc(C)nn32)CC1 ZINC000881981996 590502827 /nfs/dbraw/zinc/50/28/27/590502827.db2.gz QBRASTAPFUYVFK-UHFFFAOYSA-N 1 1 341.419 0.003 20 30 ECEDMO C#CC[N@@H+](C[C@H](O)Cn1c(=O)onc1-c1ccccc1)C1CSC1 ZINC000878913964 590550763 /nfs/dbraw/zinc/55/07/63/590550763.db2.gz IBAVQUPYVOGWLB-HNNXBMFYSA-N 1 1 345.424 0.915 20 30 ECEDMO C#CC[N@H+](C[C@H](O)Cn1c(=O)onc1-c1ccccc1)C1CSC1 ZINC000878913964 590550765 /nfs/dbraw/zinc/55/07/65/590550765.db2.gz IBAVQUPYVOGWLB-HNNXBMFYSA-N 1 1 345.424 0.915 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879271906 590575981 /nfs/dbraw/zinc/57/59/81/590575981.db2.gz ZUMUCRHOWNIILM-CVEARBPZSA-N 1 1 328.416 0.630 20 30 ECEDMO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000879334836 590580028 /nfs/dbraw/zinc/58/00/28/590580028.db2.gz NRXLSCOEBPKUCJ-INIZCTEOSA-N 1 1 343.431 0.958 20 30 ECEDMO CNC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000879334836 590580030 /nfs/dbraw/zinc/58/00/30/590580030.db2.gz NRXLSCOEBPKUCJ-INIZCTEOSA-N 1 1 343.431 0.958 20 30 ECEDMO C=C(C)C[C@@H](CO)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000883739650 590658509 /nfs/dbraw/zinc/65/85/09/590658509.db2.gz FKFGMEVIGQDFLG-HNNXBMFYSA-N 1 1 341.452 0.494 20 30 ECEDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000883893267 590677850 /nfs/dbraw/zinc/67/78/50/590677850.db2.gz IAONXMNBDHWTQH-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC[N@@H+]2CC)n1 ZINC000883898265 590680621 /nfs/dbraw/zinc/68/06/21/590680621.db2.gz WJIUHPGQXMVTLQ-INIZCTEOSA-N 1 1 333.436 0.769 20 30 ECEDMO N#C[C@@]12CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@@H]1CS(=O)(=O)C2 ZINC000885310540 590712485 /nfs/dbraw/zinc/71/24/85/590712485.db2.gz DGHIALIKMOBGHZ-HOSILWTGSA-N 1 1 337.445 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000884085348 590736287 /nfs/dbraw/zinc/73/62/87/590736287.db2.gz RUEPSOBGBUWGRS-HOTGVXAUSA-N 1 1 342.447 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000884085348 590736290 /nfs/dbraw/zinc/73/62/90/590736290.db2.gz RUEPSOBGBUWGRS-HOTGVXAUSA-N 1 1 342.447 0.842 20 30 ECEDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886048913 590789075 /nfs/dbraw/zinc/78/90/75/590789075.db2.gz APTDROWTAUXBQO-KBPBESRZSA-N 1 1 329.466 0.692 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886174460 590800175 /nfs/dbraw/zinc/80/01/75/590800175.db2.gz AYTVVBCUFHZMKN-ARFHVFGLSA-N 1 1 326.437 0.777 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389572 590818542 /nfs/dbraw/zinc/81/85/42/590818542.db2.gz BKLKUFTVPCJQGF-MQYQWHSLSA-N 1 1 327.425 0.047 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389572 590818545 /nfs/dbraw/zinc/81/85/45/590818545.db2.gz BKLKUFTVPCJQGF-MQYQWHSLSA-N 1 1 327.425 0.047 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cccc(S(C)(=O)=O)c2)C1 ZINC000884392915 590819327 /nfs/dbraw/zinc/81/93/27/590819327.db2.gz QBOIFGMTOXCKKC-HNNXBMFYSA-N 1 1 349.456 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(S(C)(=O)=O)c2)C1 ZINC000884392915 590819331 /nfs/dbraw/zinc/81/93/31/590819331.db2.gz QBOIFGMTOXCKKC-HNNXBMFYSA-N 1 1 349.456 0.987 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000886361761 590835486 /nfs/dbraw/zinc/83/54/86/590835486.db2.gz UVMUBUSBGLTITL-OAHLLOKOSA-N 1 1 341.415 0.849 20 30 ECEDMO N#CC1(C[C@@H](O)Cn2cc(CCC[NH+]3CCOCC3)nn2)CCC1 ZINC000887464506 590970689 /nfs/dbraw/zinc/97/06/89/590970689.db2.gz BQYCWFZLPGYTSJ-MRXNPFEDSA-N 1 1 333.436 0.988 20 30 ECEDMO O=C(c1cccc(C#CCO)c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889743568 591075873 /nfs/dbraw/zinc/07/58/73/591075873.db2.gz HDTQUBXOAGVLJV-MSOLQXFVSA-N 1 1 328.412 0.702 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889765373 591088340 /nfs/dbraw/zinc/08/83/40/591088340.db2.gz XYYCXMXTZRRDAP-HOTGVXAUSA-N 1 1 342.395 0.824 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCOC[C@@H]2c2noc(C)n2)C1 ZINC000890367295 591153356 /nfs/dbraw/zinc/15/33/56/591153356.db2.gz LJLDVJWKNRDDKS-ZIAGYGMSSA-N 1 1 333.392 0.559 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCOC[C@@H]2c2noc(C)n2)C1 ZINC000890367295 591153358 /nfs/dbraw/zinc/15/33/58/591153358.db2.gz LJLDVJWKNRDDKS-ZIAGYGMSSA-N 1 1 333.392 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCOC[C@H]2c2noc(C)n2)C1 ZINC000890367293 591154049 /nfs/dbraw/zinc/15/40/49/591154049.db2.gz LJLDVJWKNRDDKS-KGLIPLIRSA-N 1 1 333.392 0.559 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCOC[C@H]2c2noc(C)n2)C1 ZINC000890367293 591154053 /nfs/dbraw/zinc/15/40/53/591154053.db2.gz LJLDVJWKNRDDKS-KGLIPLIRSA-N 1 1 333.392 0.559 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946586660 611355418 /nfs/dbraw/zinc/35/54/18/611355418.db2.gz RJTMVGLAZHFCJA-IXDOHACOSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000924024970 611382900 /nfs/dbraw/zinc/38/29/00/611382900.db2.gz IMUIPNILELQCEN-QGZVFWFLSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000930164086 611397630 /nfs/dbraw/zinc/39/76/30/611397630.db2.gz XLJWTFIAJRKZHO-UHFFFAOYSA-N 1 1 331.355 0.878 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@@H]1C ZINC000948071328 611408016 /nfs/dbraw/zinc/40/80/16/611408016.db2.gz WXTQUZBBBWNZCM-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)O1 ZINC000946686256 611416083 /nfs/dbraw/zinc/41/60/83/611416083.db2.gz ASGJOJBZJPVKPF-CZUORRHYSA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)O1 ZINC000946686256 611416085 /nfs/dbraw/zinc/41/60/85/611416085.db2.gz ASGJOJBZJPVKPF-CZUORRHYSA-N 1 1 333.432 0.226 20 30 ECEDMO N#CCC(=O)N1CC[NH+](C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000930630973 611448266 /nfs/dbraw/zinc/44/82/66/611448266.db2.gz QEBRDQRYHCQFML-DLBZAZTESA-N 1 1 331.416 0.919 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947174413 611448849 /nfs/dbraw/zinc/44/88/49/611448849.db2.gz KWTDJMIOYAWNJO-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC[C@@H]2C1 ZINC000946782129 611475039 /nfs/dbraw/zinc/47/50/39/611475039.db2.gz RVFZXCZCZILSQM-TWMKSMIVSA-N 1 1 331.460 0.904 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@H+](C)[C@H](CO)C1 ZINC000931405002 611536984 /nfs/dbraw/zinc/53/69/84/611536984.db2.gz DSZLOMVWVYQCFL-WBVHZDCISA-N 1 1 330.432 0.930 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000931405002 611536985 /nfs/dbraw/zinc/53/69/85/611536985.db2.gz DSZLOMVWVYQCFL-WBVHZDCISA-N 1 1 330.432 0.930 20 30 ECEDMO COC1(OC)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1O ZINC000931645387 611561056 /nfs/dbraw/zinc/56/10/56/611561056.db2.gz KSBNFEDWJJXTGL-ZBFHGGJFSA-N 1 1 336.388 0.354 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@@H]1C ZINC000947523274 611579087 /nfs/dbraw/zinc/57/90/87/611579087.db2.gz ADDVXCNYANRBSO-UONOGXRCSA-N 1 1 332.404 0.106 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC(N)=O)C[C@@H]1C ZINC000947523900 611579466 /nfs/dbraw/zinc/57/94/66/611579466.db2.gz KPVXVAQZIZHMPH-KBPBESRZSA-N 1 1 329.400 0.767 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931999556 611592007 /nfs/dbraw/zinc/59/20/07/611592007.db2.gz SNXKQWDBNWVJTH-CQSZACIVSA-N 1 1 340.379 0.981 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)CC1 ZINC000932136144 611604378 /nfs/dbraw/zinc/60/43/78/611604378.db2.gz OPJPZTXRDJYAJC-INIZCTEOSA-N 1 1 329.448 0.377 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)CC1 ZINC000932136144 611604381 /nfs/dbraw/zinc/60/43/81/611604381.db2.gz OPJPZTXRDJYAJC-INIZCTEOSA-N 1 1 329.448 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC000936419674 608602516 /nfs/dbraw/zinc/60/25/16/608602516.db2.gz CJLMSPOTLNALSK-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC000936419674 608602518 /nfs/dbraw/zinc/60/25/18/608602518.db2.gz CJLMSPOTLNALSK-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937353641 608610547 /nfs/dbraw/zinc/61/05/47/608610547.db2.gz VFIUTSJIZYKWDG-HOTGVXAUSA-N 1 1 333.432 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937353641 608610550 /nfs/dbraw/zinc/61/05/50/608610550.db2.gz VFIUTSJIZYKWDG-HOTGVXAUSA-N 1 1 333.432 0.180 20 30 ECEDMO CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954707985 608610940 /nfs/dbraw/zinc/61/09/40/608610940.db2.gz ARONRVKXEMCOSV-OAHLLOKOSA-N 1 1 329.404 0.653 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)cc1 ZINC000927870177 611647914 /nfs/dbraw/zinc/64/79/14/611647914.db2.gz ONYDEWALKIVWHL-UHFFFAOYSA-N 1 1 343.431 0.688 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 ZINC000949441228 608679992 /nfs/dbraw/zinc/67/99/92/608679992.db2.gz PGYBOAIYSBHPNP-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1cnon1 ZINC000937460362 608789855 /nfs/dbraw/zinc/78/98/55/608789855.db2.gz VUGGCBNTXKXDPV-ZFWWWQNUSA-N 1 1 345.403 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1cnon1 ZINC000937460362 608789859 /nfs/dbraw/zinc/78/98/59/608789859.db2.gz VUGGCBNTXKXDPV-ZFWWWQNUSA-N 1 1 345.403 0.278 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2CC(OC)C2)CC1 ZINC000947230445 608821059 /nfs/dbraw/zinc/82/10/59/608821059.db2.gz RGCSXHNQRKWIKJ-PREGVCBESA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2CC(OC)C2)CC1 ZINC000947230445 608821063 /nfs/dbraw/zinc/82/10/63/608821063.db2.gz RGCSXHNQRKWIKJ-PREGVCBESA-N 1 1 347.459 0.616 20 30 ECEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000934467453 608825194 /nfs/dbraw/zinc/82/51/94/608825194.db2.gz ZROSFSPVCBMYER-CQSZACIVSA-N 1 1 337.445 0.643 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1 ZINC000932782546 611666809 /nfs/dbraw/zinc/66/68/09/611666809.db2.gz ULOXMVMQQPPDMO-INIZCTEOSA-N 1 1 342.399 0.995 20 30 ECEDMO CC[C@@H](NC(=O)NCC#CCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000923776187 608922547 /nfs/dbraw/zinc/92/25/47/608922547.db2.gz PEKALEVNJMCHEG-QZTJIDSGSA-N 1 1 345.443 0.961 20 30 ECEDMO CC[C@@H](NC(=O)NCC#CCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000923776187 608922549 /nfs/dbraw/zinc/92/25/49/608922549.db2.gz PEKALEVNJMCHEG-QZTJIDSGSA-N 1 1 345.443 0.961 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000947307148 608937074 /nfs/dbraw/zinc/93/70/74/608937074.db2.gz WIAWHFIYZIEEHH-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C[C@H]1C ZINC000947722398 608964771 /nfs/dbraw/zinc/96/47/71/608964771.db2.gz JJKIJTPYWPIKCA-KGLIPLIRSA-N 1 1 330.432 0.739 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CCn1cncn1 ZINC000947217928 608969392 /nfs/dbraw/zinc/96/93/92/608969392.db2.gz UCSBZJJMOADUMV-CHWSQXEVSA-N 1 1 327.392 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC000937150645 609007069 /nfs/dbraw/zinc/00/70/69/609007069.db2.gz OMTOMTQWOINFLP-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC000937150645 609007071 /nfs/dbraw/zinc/00/70/71/609007071.db2.gz OMTOMTQWOINFLP-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937177352 609022756 /nfs/dbraw/zinc/02/27/56/609022756.db2.gz ZQBQFPYZMWDECX-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937178062 609023414 /nfs/dbraw/zinc/02/34/14/609023414.db2.gz ZVODLCZDUCYAMP-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937209589 609043820 /nfs/dbraw/zinc/04/38/20/609043820.db2.gz VDZGUJWSEMMKSD-OAHLLOKOSA-N 1 1 340.387 0.764 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C[C@H]1C ZINC000947762636 611680675 /nfs/dbraw/zinc/68/06/75/611680675.db2.gz XRURAOMLRTUDSU-KGLIPLIRSA-N 1 1 344.419 0.436 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1CCOCC1 ZINC000948663605 611681322 /nfs/dbraw/zinc/68/13/22/611681322.db2.gz SFAAXULOGXPFQX-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1CCOCC1 ZINC000948663605 611681324 /nfs/dbraw/zinc/68/13/24/611681324.db2.gz SFAAXULOGXPFQX-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000937798423 609090236 /nfs/dbraw/zinc/09/02/36/609090236.db2.gz HGEBPNSOLFNLKF-ZOFXXKQRSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000937798423 609090241 /nfs/dbraw/zinc/09/02/41/609090241.db2.gz HGEBPNSOLFNLKF-ZOFXXKQRSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000937283431 609106528 /nfs/dbraw/zinc/10/65/28/609106528.db2.gz GSMGYLHROFXFHE-TXTZMMAHSA-N 1 1 341.455 0.942 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000937283431 609106529 /nfs/dbraw/zinc/10/65/29/609106529.db2.gz GSMGYLHROFXFHE-TXTZMMAHSA-N 1 1 341.455 0.942 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937850254 609113900 /nfs/dbraw/zinc/11/39/00/609113900.db2.gz AWAPNWPHJXXHHZ-YPMHNXCESA-N 1 1 340.387 0.819 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000932960645 611693833 /nfs/dbraw/zinc/69/38/33/611693833.db2.gz QVTSHEZKVJUOBM-OAHLLOKOSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC000937971159 609442936 /nfs/dbraw/zinc/44/29/36/609442936.db2.gz QNSACMDOHXPINF-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC(OC)C2)C1 ZINC000938170080 609481047 /nfs/dbraw/zinc/48/10/47/609481047.db2.gz CYSCWZFLECWIOA-GRAKBVBRSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC(OC)C2)C1 ZINC000938170080 609481050 /nfs/dbraw/zinc/48/10/50/609481050.db2.gz CYSCWZFLECWIOA-GRAKBVBRSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000938170541 609482110 /nfs/dbraw/zinc/48/21/10/609482110.db2.gz JXPVNIOVGVXRJM-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000938170541 609482113 /nfs/dbraw/zinc/48/21/13/609482113.db2.gz JXPVNIOVGVXRJM-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000908002613 609634948 /nfs/dbraw/zinc/63/49/48/609634948.db2.gz XXQYJQWKFUOZKA-HOTGVXAUSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000908002613 609634950 /nfs/dbraw/zinc/63/49/50/609634950.db2.gz XXQYJQWKFUOZKA-HOTGVXAUSA-N 1 1 335.429 0.778 20 30 ECEDMO C[N@H+]1C[C@@]2(C)CN(C(=O)CCNC(=O)C3N=CC=CC3=O)C[C@@]2(C)C1 ZINC000913289314 609661762 /nfs/dbraw/zinc/66/17/62/609661762.db2.gz SOJPJIBMKMQNCI-VHYUISPPSA-N 1 1 346.431 0.703 20 30 ECEDMO CCC[N@@H+](CC)CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000921185254 609699628 /nfs/dbraw/zinc/69/96/28/609699628.db2.gz CKYCRTVBTCRDMZ-UKRRQHHQSA-N 1 1 342.465 0.298 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921322485 609703246 /nfs/dbraw/zinc/70/32/46/609703246.db2.gz SZBMMRYMQHRXNN-HZSPNIEDSA-N 1 1 346.522 0.882 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921322485 609703247 /nfs/dbraw/zinc/70/32/47/609703247.db2.gz SZBMMRYMQHRXNN-HZSPNIEDSA-N 1 1 346.522 0.882 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(C)cc(C(N)=O)c2)CC1 ZINC000921437503 609716595 /nfs/dbraw/zinc/71/65/95/609716595.db2.gz YXFIGOYMBHCQNP-UHFFFAOYSA-N 1 1 335.429 0.470 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nc1 ZINC000938375753 609761059 /nfs/dbraw/zinc/76/10/59/609761059.db2.gz UBGHMYNNZONCKM-HNNXBMFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000938398285 609763416 /nfs/dbraw/zinc/76/34/16/609763416.db2.gz DEYGFTCHKBGYQC-IRXDYDNUSA-N 1 1 325.412 0.950 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C[C@H]1C ZINC000948031567 609775743 /nfs/dbraw/zinc/77/57/43/609775743.db2.gz MORWZZKYMBFUQX-CABCVRRESA-N 1 1 343.493 0.262 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cs1 ZINC000914017123 609844084 /nfs/dbraw/zinc/84/40/84/609844084.db2.gz PWGSBQKMBIBYHQ-CHWSQXEVSA-N 1 1 341.458 0.902 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000914112419 609854063 /nfs/dbraw/zinc/85/40/63/609854063.db2.gz KORQWZDTAZWTTJ-DLBZAZTESA-N 1 1 344.459 0.881 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938545506 609860287 /nfs/dbraw/zinc/86/02/87/609860287.db2.gz GYSHILZYQRQXCH-HNNXBMFYSA-N 1 1 340.387 0.764 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)C[C@@H]1C ZINC000947853515 611719309 /nfs/dbraw/zinc/71/93/09/611719309.db2.gz RLRQCBGOAZFWMU-GOEBONIOSA-N 1 1 330.432 0.853 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000152577010 609865726 /nfs/dbraw/zinc/86/57/26/609865726.db2.gz VYXKPDRZJDLKCE-BBRMVZONSA-N 1 1 344.415 0.625 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000152577010 609865727 /nfs/dbraw/zinc/86/57/27/609865727.db2.gz VYXKPDRZJDLKCE-BBRMVZONSA-N 1 1 344.415 0.625 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000938613060 609900278 /nfs/dbraw/zinc/90/02/78/609900278.db2.gz PDPFAKZBRUAFKM-VHDGCEQUSA-N 1 1 343.431 0.899 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000938654437 609923068 /nfs/dbraw/zinc/92/30/68/609923068.db2.gz ZRXGFPXGWISUDL-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000938654437 609923069 /nfs/dbraw/zinc/92/30/69/609923069.db2.gz ZRXGFPXGWISUDL-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000918394564 610005109 /nfs/dbraw/zinc/00/51/09/610005109.db2.gz IPIOXKPSNPNMKM-CQSZACIVSA-N 1 1 335.429 0.422 20 30 ECEDMO CC(C)(C(=O)NC[C@@]1(CO)COCC[NH2+]1)c1cc(F)cc(C#N)c1 ZINC000913181760 610045542 /nfs/dbraw/zinc/04/55/42/610045542.db2.gz QNPITZMSIBTTGC-QGZVFWFLSA-N 1 1 335.379 0.442 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnn(CC)n3)C2)nn1 ZINC000939277823 610146628 /nfs/dbraw/zinc/14/66/28/610146628.db2.gz SWDWDCWUQKNIFU-TZMCWYRMSA-N 1 1 344.423 0.326 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncc(C)cn3)C2)nn1 ZINC000939278190 610146822 /nfs/dbraw/zinc/14/68/22/610146822.db2.gz XSFAECHHQPJOKD-ZIAGYGMSSA-N 1 1 341.419 0.813 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nncs3)[C@@H](C)C2)nn1 ZINC000939292847 610149210 /nfs/dbraw/zinc/14/92/10/610149210.db2.gz NJBFCGGLNKAPFR-RYUDHWBXSA-N 1 1 347.448 0.956 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939934574 610171117 /nfs/dbraw/zinc/17/11/17/610171117.db2.gz VSKZHDJJDYWAEP-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)C1 ZINC000939966298 610178817 /nfs/dbraw/zinc/17/88/17/610178817.db2.gz SEBWSKRCERWJIK-RBSFLKMASA-N 1 1 335.448 0.636 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)C1 ZINC000939966298 610178818 /nfs/dbraw/zinc/17/88/18/610178818.db2.gz SEBWSKRCERWJIK-RBSFLKMASA-N 1 1 335.448 0.636 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000940063061 610198912 /nfs/dbraw/zinc/19/89/12/610198912.db2.gz WTBZDDGQPBWBEJ-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnn(CC)n3)C2)cn1 ZINC000939567058 610239770 /nfs/dbraw/zinc/23/97/70/610239770.db2.gz HEKUMQCFYDKBGS-CXAGYDPISA-N 1 1 338.415 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)nn2C)C1 ZINC000939617193 610249621 /nfs/dbraw/zinc/24/96/21/610249621.db2.gz UEUXGVISFYRPOX-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)nn2C)C1 ZINC000939617193 610249623 /nfs/dbraw/zinc/24/96/23/610249623.db2.gz UEUXGVISFYRPOX-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C=CCCN1CC(N2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941414344 610303366 /nfs/dbraw/zinc/30/33/66/610303366.db2.gz REZBUFLKFVGTFM-AEFFLSMTSA-N 1 1 348.491 0.254 20 30 ECEDMO C=CCCN1CC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941414344 610303368 /nfs/dbraw/zinc/30/33/68/610303368.db2.gz REZBUFLKFVGTFM-AEFFLSMTSA-N 1 1 348.491 0.254 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cncc4ncn(C)c43)CC2)C1 ZINC000941443977 610308924 /nfs/dbraw/zinc/30/89/24/610308924.db2.gz YHOBADFMOQWFNK-UHFFFAOYSA-N 1 1 340.431 0.596 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn4c3CCC4)CC2)C1 ZINC000941430810 610311954 /nfs/dbraw/zinc/31/19/54/610311954.db2.gz CWLMQOHHMBASAP-UHFFFAOYSA-N 1 1 327.432 0.295 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3ccc(F)cn3)CC2)C1 ZINC000941461100 610320564 /nfs/dbraw/zinc/32/05/64/610320564.db2.gz YXUYEUKCGJSNTE-UHFFFAOYSA-N 1 1 330.407 0.615 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)C1 ZINC000941462740 610321302 /nfs/dbraw/zinc/32/13/02/610321302.db2.gz DDKCSMBXYJEFDJ-UHFFFAOYSA-N 1 1 328.416 0.414 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc4cccn4cn3)CC2)C1 ZINC000941450676 610324714 /nfs/dbraw/zinc/32/47/14/610324714.db2.gz DELNUDBFRAGMGN-UHFFFAOYSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccnc(OC)c3)CC2)C1 ZINC000941471320 610329946 /nfs/dbraw/zinc/32/99/46/610329946.db2.gz XOCXCYFFUGOHGC-UHFFFAOYSA-N 1 1 328.416 0.556 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(OC)nc(OC)c3)CC2)C1 ZINC000941475309 610331891 /nfs/dbraw/zinc/33/18/91/610331891.db2.gz PDFSGZCQUBJQSQ-UHFFFAOYSA-N 1 1 346.431 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC000941465868 610334181 /nfs/dbraw/zinc/33/41/81/610334181.db2.gz TZDYWSXWVITVJO-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC000941465868 610334182 /nfs/dbraw/zinc/33/41/82/610334182.db2.gz TZDYWSXWVITVJO-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cn(CCOC)nn2)C(C)(C)C1 ZINC000940734332 610350247 /nfs/dbraw/zinc/35/02/47/610350247.db2.gz YPEGVUZIPLBMJQ-OAHLLOKOSA-N 1 1 333.436 0.778 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000940739580 610351616 /nfs/dbraw/zinc/35/16/16/610351616.db2.gz JOVIPPACGMTZDQ-FPCVCCKLSA-N 1 1 335.448 0.779 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000940755175 610358008 /nfs/dbraw/zinc/35/80/08/610358008.db2.gz KLLPVMNHZQKIIB-MRVWCRGKSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000940789400 610363237 /nfs/dbraw/zinc/36/32/37/610363237.db2.gz LQVIQFXEHUHIBG-CQSZACIVSA-N 1 1 343.431 0.903 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H](C)C1 ZINC000942285567 610373685 /nfs/dbraw/zinc/37/36/85/610373685.db2.gz DORQRDILIDHYKI-TZMCWYRMSA-N 1 1 342.399 0.876 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(C)c(C(N)=O)cn3)CC2)C1 ZINC000941574787 610379304 /nfs/dbraw/zinc/37/93/04/610379304.db2.gz UKYNOBAQUKDINQ-UHFFFAOYSA-N 1 1 343.431 0.117 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941566716 610386454 /nfs/dbraw/zinc/38/64/54/610386454.db2.gz KQQJUHIRZKBTGG-UHFFFAOYSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3ccnc(OC)c3)CC2)C1 ZINC000941566693 610386510 /nfs/dbraw/zinc/38/65/10/610386510.db2.gz JMJAKMPCPVFQPM-UHFFFAOYSA-N 1 1 342.443 0.484 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C(C)(C)C1 ZINC000940847133 610397942 /nfs/dbraw/zinc/39/79/42/610397942.db2.gz POQSILUIATVFOJ-AWEZNQCLSA-N 1 1 326.462 0.661 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940846652 610398172 /nfs/dbraw/zinc/39/81/72/610398172.db2.gz FBTXTJVPTCGEIX-OLZOCXBDSA-N 1 1 333.436 0.949 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940847372 610398512 /nfs/dbraw/zinc/39/85/12/610398512.db2.gz WKTJIMBLXXMGOY-OLZOCXBDSA-N 1 1 331.420 0.396 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)C(C)(C)C1 ZINC000940867738 610403633 /nfs/dbraw/zinc/40/36/33/610403633.db2.gz KDWHXNYIUOODEH-HNNXBMFYSA-N 1 1 330.432 0.978 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC000941596681 610414235 /nfs/dbraw/zinc/41/42/35/610414235.db2.gz MUMRCVWLZAGKNX-OAHLLOKOSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940892314 610419014 /nfs/dbraw/zinc/41/90/14/610419014.db2.gz CILHRSAMTSXOGU-CQSZACIVSA-N 1 1 341.477 0.262 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@@H](C)N3CCCC3=O)CC2)C1 ZINC000941636897 610422771 /nfs/dbraw/zinc/42/27/71/610422771.db2.gz XOLBPXBSWIQXEW-MRXNPFEDSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2occc2C)C1 ZINC000942365732 610423844 /nfs/dbraw/zinc/42/38/44/610423844.db2.gz YJPHHJHYNUPXSD-CVEARBPZSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2occc2C)C1 ZINC000942365732 610423847 /nfs/dbraw/zinc/42/38/47/610423847.db2.gz YJPHHJHYNUPXSD-CVEARBPZSA-N 1 1 343.427 0.945 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCn3cnccc3=O)CC2)C1 ZINC000941620723 610425933 /nfs/dbraw/zinc/42/59/33/610425933.db2.gz MJCAVRRABZNIDK-UHFFFAOYSA-N 1 1 345.447 0.038 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](C)C1 ZINC000942395126 610429526 /nfs/dbraw/zinc/42/95/26/610429526.db2.gz WDIVJJFYURLBAJ-LSDHHAIUSA-N 1 1 346.431 0.353 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](C)C1 ZINC000942390928 610432742 /nfs/dbraw/zinc/43/27/42/610432742.db2.gz CZEMYJZNSBJIQC-CABCVRRESA-N 1 1 346.431 0.353 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C(C)(C)C1 ZINC000940935644 610436066 /nfs/dbraw/zinc/43/60/66/610436066.db2.gz DFPRRVARNCJVJF-AWEZNQCLSA-N 1 1 330.432 0.861 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)COc3ccccc3)CC2)C1 ZINC000941650820 610440737 /nfs/dbraw/zinc/44/07/37/610440737.db2.gz HUCKEQIDTNNNJL-UHFFFAOYSA-N 1 1 327.428 0.917 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000942428746 610444978 /nfs/dbraw/zinc/44/49/78/610444978.db2.gz HQOJHTIFXJDMHE-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C(C)C)CC2)C1 ZINC000941668897 610459114 /nfs/dbraw/zinc/45/91/14/610459114.db2.gz RPSGAVHHXVELPW-KRWDZBQOSA-N 1 1 348.491 0.648 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc(C(N)=O)cn3)CC2)C1 ZINC000941685111 610463250 /nfs/dbraw/zinc/46/32/50/610463250.db2.gz SJGRMEBEOWIVMR-UHFFFAOYSA-N 1 1 343.431 0.199 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(C(N)=O)ccn3)CC2)C1 ZINC000941697694 610468699 /nfs/dbraw/zinc/46/86/99/610468699.db2.gz ODTGGIZJDHOOSF-UHFFFAOYSA-N 1 1 343.431 0.199 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](C)C1 ZINC000942518392 610493422 /nfs/dbraw/zinc/49/34/22/610493422.db2.gz QXPYJAFXFIJNPC-CABCVRRESA-N 1 1 341.477 0.262 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941789621 610495916 /nfs/dbraw/zinc/49/59/16/610495916.db2.gz MLFRMWXPGUMYPP-FZMZJTMJSA-N 1 1 345.432 0.633 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H](C)C1 ZINC000942528089 610500072 /nfs/dbraw/zinc/50/00/72/610500072.db2.gz XRBSFCMSTGADJK-DGCLKSJQSA-N 1 1 329.404 0.957 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](C)C1 ZINC000942530659 610501389 /nfs/dbraw/zinc/50/13/89/610501389.db2.gz UVZHMZNPSMQKRZ-DZGCQCFKSA-N 1 1 339.403 0.521 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](C)C1 ZINC000942548904 610508730 /nfs/dbraw/zinc/50/87/30/610508730.db2.gz ZXJNXQKOBJAYIS-YPMHNXCESA-N 1 1 344.423 0.710 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000941050283 610511596 /nfs/dbraw/zinc/51/15/96/610511596.db2.gz RZOAVGGDIRLXDY-HUUCEWRRSA-N 1 1 344.463 0.866 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562414 610518695 /nfs/dbraw/zinc/51/86/95/610518695.db2.gz LDKOIEOJMHCJGN-DOMZBBRYSA-N 1 1 339.403 0.722 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](C)C2)cc1C#N ZINC000942592286 610527031 /nfs/dbraw/zinc/52/70/31/610527031.db2.gz VJJRMHRFYFTADU-RISCZKNCSA-N 1 1 330.388 0.379 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000941105626 610539211 /nfs/dbraw/zinc/53/92/11/610539211.db2.gz PCWJCEZJPUOEQV-NSHDSACASA-N 1 1 342.827 0.507 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000941105626 610539213 /nfs/dbraw/zinc/53/92/13/610539213.db2.gz PCWJCEZJPUOEQV-NSHDSACASA-N 1 1 342.827 0.507 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000941144748 610562492 /nfs/dbraw/zinc/56/24/92/610562492.db2.gz FTFWAZPRIGFCNQ-LBPRGKRZSA-N 1 1 334.420 0.167 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000941161739 610569520 /nfs/dbraw/zinc/56/95/20/610569520.db2.gz TTYUZFKHJDGWLT-ZDUSSCGKSA-N 1 1 336.436 0.673 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000941163051 610570515 /nfs/dbraw/zinc/57/05/15/610570515.db2.gz FNQGRFGALHFEKG-GFCCVEGCSA-N 1 1 330.392 0.434 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941941484 610570934 /nfs/dbraw/zinc/57/09/34/610570934.db2.gz CTMFCHYKLGSLSX-WBMJQRKESA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000941148977 610573940 /nfs/dbraw/zinc/57/39/40/610573940.db2.gz VMRYGNNTGRJYCV-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941968949 610582245 /nfs/dbraw/zinc/58/22/45/610582245.db2.gz ZEUPZZWUHUXJHR-BXUZGUMPSA-N 1 1 329.404 0.605 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)CC2(C)C)nc1 ZINC000941169694 610583751 /nfs/dbraw/zinc/58/37/51/610583751.db2.gz QBAZBNFMZUVWBU-JKSUJKDBSA-N 1 1 340.427 0.782 20 30 ECEDMO C[C@H]1C[N@@H+](CCN2CCNC2=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964213 610586554 /nfs/dbraw/zinc/58/65/54/610586554.db2.gz PKZHXFDTXIZBHW-SWLSCSKDSA-N 1 1 344.419 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnoc2CC)C1 ZINC000941245052 610616256 /nfs/dbraw/zinc/61/62/56/610616256.db2.gz HDCQRUQDHWCSDG-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnoc2CC)C1 ZINC000941245052 610616257 /nfs/dbraw/zinc/61/62/57/610616257.db2.gz HDCQRUQDHWCSDG-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000941245520 610616557 /nfs/dbraw/zinc/61/65/57/610616557.db2.gz RBNSQEFXMUDVCH-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000941245520 610616558 /nfs/dbraw/zinc/61/65/58/610616558.db2.gz RBNSQEFXMUDVCH-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1 ZINC000941237628 610620800 /nfs/dbraw/zinc/62/08/00/610620800.db2.gz DHSCNEMKQKSFCV-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1 ZINC000941237628 610620802 /nfs/dbraw/zinc/62/08/02/610620802.db2.gz DHSCNEMKQKSFCV-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC000941237748 610621357 /nfs/dbraw/zinc/62/13/57/610621357.db2.gz ITSOCJIMNMFSSZ-UPJWGTAASA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC000941237748 610621358 /nfs/dbraw/zinc/62/13/58/610621358.db2.gz ITSOCJIMNMFSSZ-UPJWGTAASA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000941238038 610622208 /nfs/dbraw/zinc/62/22/08/610622208.db2.gz QQPJKGLYKKPZHS-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000941238038 610622210 /nfs/dbraw/zinc/62/22/10/610622210.db2.gz QQPJKGLYKKPZHS-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000941238276 610622241 /nfs/dbraw/zinc/62/22/41/610622241.db2.gz XDJVXNOEDLZTIT-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000941238276 610622243 /nfs/dbraw/zinc/62/22/43/610622243.db2.gz XDJVXNOEDLZTIT-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942054188 610633566 /nfs/dbraw/zinc/63/35/66/610633566.db2.gz WFYRXBBIMBMTPX-XJKSGUPXSA-N 1 1 339.403 0.572 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 ZINC000942061038 610637781 /nfs/dbraw/zinc/63/77/81/610637781.db2.gz HVRSKAJFXFIRND-OLZOCXBDSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H](C)C1 ZINC000942855841 610659146 /nfs/dbraw/zinc/65/91/46/610659146.db2.gz BNPNHRGZLAWMHG-KGLIPLIRSA-N 1 1 330.432 0.814 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C2C[NH+](Cc3ccc(CO)cc3)C2)CC1 ZINC000941349154 610685457 /nfs/dbraw/zinc/68/54/57/610685457.db2.gz VFJKYDQATHMMRY-OAHLLOKOSA-N 1 1 342.443 0.667 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)C(F)F)C1 ZINC000943017713 610716608 /nfs/dbraw/zinc/71/66/08/610716608.db2.gz SPBZISABDXQSHO-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)C(F)F)C1 ZINC000943017713 610716610 /nfs/dbraw/zinc/71/66/10/610716610.db2.gz SPBZISABDXQSHO-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO O=C(C#CC1CC1)N1CCN(C2C[NH+](CCn3cccn3)C2)CC1 ZINC000941401204 610719537 /nfs/dbraw/zinc/71/95/37/610719537.db2.gz XJRXMUPERHCFJJ-UHFFFAOYSA-N 1 1 327.432 0.125 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2ccon2)C1 ZINC000943115832 610729476 /nfs/dbraw/zinc/72/94/76/610729476.db2.gz JMWDTQDSFZQZJJ-ZBFHGGJFSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2ccon2)C1 ZINC000943115832 610729477 /nfs/dbraw/zinc/72/94/77/610729477.db2.gz JMWDTQDSFZQZJJ-ZBFHGGJFSA-N 1 1 344.415 0.883 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H](C)C1 ZINC000944135433 610752108 /nfs/dbraw/zinc/75/21/08/610752108.db2.gz LZYHKSWWYSAQHW-GHMZBOCLSA-N 1 1 336.392 0.913 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 ZINC000944136021 610752264 /nfs/dbraw/zinc/75/22/64/610752264.db2.gz QLKXKWOFZHYAJQ-CMPLNLGQSA-N 1 1 342.827 0.460 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 ZINC000944136021 610752266 /nfs/dbraw/zinc/75/22/66/610752266.db2.gz QLKXKWOFZHYAJQ-CMPLNLGQSA-N 1 1 342.827 0.460 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H](C)C1 ZINC000944136096 610752483 /nfs/dbraw/zinc/75/24/83/610752483.db2.gz RRKWOUYFCNUPTH-MNOVXSKESA-N 1 1 334.376 0.360 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000943234334 610760168 /nfs/dbraw/zinc/76/01/68/610760168.db2.gz SBNCPYHBMSIPIU-UKRRQHHQSA-N 1 1 326.462 0.661 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 ZINC000944152794 610768071 /nfs/dbraw/zinc/76/80/71/610768071.db2.gz DIQPWXNKZQDYIX-OLZOCXBDSA-N 1 1 344.419 0.824 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2C)nc1 ZINC000944191439 610775760 /nfs/dbraw/zinc/77/57/60/610775760.db2.gz CSMOLIQFUIGRDF-UKRRQHHQSA-N 1 1 328.416 0.591 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 ZINC000944810761 610795275 /nfs/dbraw/zinc/79/52/75/610795275.db2.gz KSSBEIXUSDNFFU-KBPBESRZSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)CC(C)(C)O)C1 ZINC000943335635 610806875 /nfs/dbraw/zinc/80/68/75/610806875.db2.gz IDDYVCVXGRVBAJ-CVEARBPZSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)CC(C)(C)O)C1 ZINC000943335635 610806877 /nfs/dbraw/zinc/80/68/77/610806877.db2.gz IDDYVCVXGRVBAJ-CVEARBPZSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@@H](C)OC)C1 ZINC000943338396 610808216 /nfs/dbraw/zinc/80/82/16/610808216.db2.gz XADCEZUEJBJDSE-PMPSAXMXSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@@H](C)OC)C1 ZINC000943338396 610808217 /nfs/dbraw/zinc/80/82/17/610808217.db2.gz XADCEZUEJBJDSE-PMPSAXMXSA-N 1 1 335.448 0.616 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)C1 ZINC000944933976 610849533 /nfs/dbraw/zinc/84/95/33/610849533.db2.gz UPCIPLOBPFFGKP-MRXNPFEDSA-N 1 1 329.444 0.803 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2C)cc1 ZINC000943464673 610851247 /nfs/dbraw/zinc/85/12/47/610851247.db2.gz IVYPLHKKRNZWDO-CJNGLKHVSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2C)cc1 ZINC000943464673 610851249 /nfs/dbraw/zinc/85/12/49/610851249.db2.gz IVYPLHKKRNZWDO-CJNGLKHVSA-N 1 1 329.400 0.624 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 ZINC000945180089 610934161 /nfs/dbraw/zinc/93/41/61/610934161.db2.gz KFYKOOLYQUDECH-CHWSQXEVSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc(C)on1 ZINC000943851403 611003685 /nfs/dbraw/zinc/00/36/85/611003685.db2.gz IEQTVKGWLUZBHC-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc(C)on1 ZINC000943851403 611003686 /nfs/dbraw/zinc/00/36/86/611003686.db2.gz IEQTVKGWLUZBHC-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2=COCCO2)CC1 ZINC000943884697 611013767 /nfs/dbraw/zinc/01/37/67/611013767.db2.gz CIHYAYRLDUJIFN-HNNXBMFYSA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2=COCCO2)CC1 ZINC000943884697 611013770 /nfs/dbraw/zinc/01/37/70/611013770.db2.gz CIHYAYRLDUJIFN-HNNXBMFYSA-N 1 1 347.415 0.079 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC000943913878 611037377 /nfs/dbraw/zinc/03/73/77/611037377.db2.gz ACCOOVWOJNQEJD-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 ZINC000944657121 611054242 /nfs/dbraw/zinc/05/42/42/611054242.db2.gz XSKDDGJIQMDEJT-OLZOCXBDSA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2=CCCC2)CCO1 ZINC000944648008 611057037 /nfs/dbraw/zinc/05/70/37/611057037.db2.gz RNXOEMWLTQMWGA-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2=CCCC2)CCO1 ZINC000944648008 611057040 /nfs/dbraw/zinc/05/70/40/611057040.db2.gz RNXOEMWLTQMWGA-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CCCC2)CCO1 ZINC000944648666 611057410 /nfs/dbraw/zinc/05/74/10/611057410.db2.gz WOZXZDSPDNEXPA-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CCCC2)CCO1 ZINC000944648666 611057413 /nfs/dbraw/zinc/05/74/13/611057413.db2.gz WOZXZDSPDNEXPA-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C=C(C)C)CCO1 ZINC000944649086 611057766 /nfs/dbraw/zinc/05/77/66/611057766.db2.gz ZSFRIEAGAKSCEK-HOTGVXAUSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C=C(C)C)CCO1 ZINC000944649086 611057769 /nfs/dbraw/zinc/05/77/69/611057769.db2.gz ZSFRIEAGAKSCEK-HOTGVXAUSA-N 1 1 333.432 0.394 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 ZINC000944014013 611085476 /nfs/dbraw/zinc/08/54/76/611085476.db2.gz CJJPDABOKKDZHK-ZYHUDNBSSA-N 1 1 342.827 0.507 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 ZINC000944014013 611085479 /nfs/dbraw/zinc/08/54/79/611085479.db2.gz CJJPDABOKKDZHK-ZYHUDNBSSA-N 1 1 342.827 0.507 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](C)C1 ZINC000944034587 611098146 /nfs/dbraw/zinc/09/81/46/611098146.db2.gz VWCCUAHFEAPJCS-KBPBESRZSA-N 1 1 333.436 0.394 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@H]1C ZINC000944062622 611109231 /nfs/dbraw/zinc/10/92/31/611109231.db2.gz QXGNIVICNWPDFK-ZIAGYGMSSA-N 1 1 346.431 0.833 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@H]1C ZINC000944062622 611109233 /nfs/dbraw/zinc/10/92/33/611109233.db2.gz QXGNIVICNWPDFK-ZIAGYGMSSA-N 1 1 346.431 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC000944101660 611124608 /nfs/dbraw/zinc/12/46/08/611124608.db2.gz XSQJCFYRYJICIQ-CVEARBPZSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC000944101660 611124609 /nfs/dbraw/zinc/12/46/09/611124609.db2.gz XSQJCFYRYJICIQ-CVEARBPZSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccccn1 ZINC000944097970 611130736 /nfs/dbraw/zinc/13/07/36/611130736.db2.gz QZHMEXBIIJULHY-WBVHZDCISA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccccn1 ZINC000944097970 611130737 /nfs/dbraw/zinc/13/07/37/611130737.db2.gz QZHMEXBIIJULHY-WBVHZDCISA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC000944098585 611131084 /nfs/dbraw/zinc/13/10/84/611131084.db2.gz BNJICGGXQWNLQJ-RCJHGTSTSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC000944098585 611131086 /nfs/dbraw/zinc/13/10/86/611131086.db2.gz BNJICGGXQWNLQJ-RCJHGTSTSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C3(S(C)(=O)=O)CCC3)CC[C@@H]2C1 ZINC000946842302 611190799 /nfs/dbraw/zinc/19/07/99/611190799.db2.gz GQHSVAJXOAYGJV-GASCZTMLSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC[C@@H]2C1 ZINC000946858913 611202474 /nfs/dbraw/zinc/20/24/74/611202474.db2.gz GNWYHPZPUBBBPW-BETUJISGSA-N 1 1 342.403 0.388 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)CC[C@@H]2C1 ZINC000946878246 611217440 /nfs/dbraw/zinc/21/74/40/611217440.db2.gz KEBMRUBQSBSKLH-FGTMMUONSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)CC[C@@H]2C1 ZINC000946880989 611221220 /nfs/dbraw/zinc/22/12/20/611221220.db2.gz PRYRPQMMXYFZFF-GASCZTMLSA-N 1 1 333.436 0.247 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]2C1 ZINC000946884782 611224716 /nfs/dbraw/zinc/22/47/16/611224716.db2.gz NMJQSUIQMYIPEM-OKILXGFUSA-N 1 1 334.420 0.285 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC[C@@H]2C1 ZINC000946899184 611241285 /nfs/dbraw/zinc/24/12/85/611241285.db2.gz CZRVMJNPHMJMPW-XHSDSOJGSA-N 1 1 338.473 0.757 20 30 ECEDMO N#Cc1ccc(CCN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923437267 611244066 /nfs/dbraw/zinc/24/40/66/611244066.db2.gz OXKUDHKXZCNSKS-UHFFFAOYSA-N 1 1 334.445 0.020 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nncn4C3)CC[C@@H]2C1 ZINC000946901737 611244838 /nfs/dbraw/zinc/24/48/38/611244838.db2.gz DJEITXYSRIBLKS-OWCLPIDISA-N 1 1 327.432 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@](C)(O)Cn2c(C)cccc2=O)C1 ZINC000923560490 611261878 /nfs/dbraw/zinc/26/18/78/611261878.db2.gz COXLWSUHHCUFRT-CRAIPNDOSA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@](C)(O)Cn2c(C)cccc2=O)C1 ZINC000923560490 611261880 /nfs/dbraw/zinc/26/18/80/611261880.db2.gz COXLWSUHHCUFRT-CRAIPNDOSA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc(F)cc2F)C1 ZINC000923566871 611262784 /nfs/dbraw/zinc/26/27/84/611262784.db2.gz UGCVLXAZYKQLBE-ZDUSSCGKSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc(F)cc2F)C1 ZINC000923566871 611262786 /nfs/dbraw/zinc/26/27/86/611262786.db2.gz UGCVLXAZYKQLBE-ZDUSSCGKSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000834536792 611291526 /nfs/dbraw/zinc/29/15/26/611291526.db2.gz UKQIYLRXHJUWQA-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[C@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1=O ZINC000925344724 611296021 /nfs/dbraw/zinc/29/60/21/611296021.db2.gz MLMBELMEDAESIS-QNMSZWNNSA-N 1 1 332.404 0.014 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2CC1 ZINC000946520881 611298789 /nfs/dbraw/zinc/29/87/89/611298789.db2.gz AMYMBTABHGKLCD-OAGGEKHMSA-N 1 1 348.447 0.175 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2CC1 ZINC000946521320 611299065 /nfs/dbraw/zinc/29/90/65/611299065.db2.gz NXDQQTMPHAUUMP-MQYQWHSLSA-N 1 1 332.404 0.122 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000834758836 611299964 /nfs/dbraw/zinc/29/99/64/611299964.db2.gz HTOVYHQWNOVRPZ-INIZCTEOSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CC[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(CCC(=O)OC)C2=O)C1 ZINC000842629759 611318063 /nfs/dbraw/zinc/31/80/63/611318063.db2.gz RBMSDZKTJKRAHG-CXAGYDPISA-N 1 1 335.404 0.943 20 30 ECEDMO C#CC[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(CCC(=O)OC)C2=O)C1 ZINC000842629762 611318068 /nfs/dbraw/zinc/31/80/68/611318068.db2.gz RBMSDZKTJKRAHG-SUMWQHHRSA-N 1 1 335.404 0.943 20 30 ECEDMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)CC[C@@H]2C1 ZINC000946559357 611319631 /nfs/dbraw/zinc/31/96/31/611319631.db2.gz YZZWAGRCYRDTSP-MELADBBJSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000921885193 611323494 /nfs/dbraw/zinc/32/34/94/611323494.db2.gz OSTYBHPVBGOMIF-IAGOWNOFSA-N 1 1 331.416 0.437 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000922023683 611331157 /nfs/dbraw/zinc/33/11/57/611331157.db2.gz AIJLKGBOWUIHEJ-HNNXBMFYSA-N 1 1 346.497 0.755 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000922023683 611331158 /nfs/dbraw/zinc/33/11/58/611331158.db2.gz AIJLKGBOWUIHEJ-HNNXBMFYSA-N 1 1 346.497 0.755 20 30 ECEDMO CS(=O)(=O)N1CC(C[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000929262210 611334792 /nfs/dbraw/zinc/33/47/92/611334792.db2.gz GJCQOJQZOOILLK-UHFFFAOYSA-N 1 1 348.472 0.962 20 30 ECEDMO C[N@@H+](CCNC(=O)C1(c2ccc(C#N)cc2)CC1)CCOCCO ZINC000922118054 611337182 /nfs/dbraw/zinc/33/71/82/611337182.db2.gz XFUKVDVSUXCAMP-UHFFFAOYSA-N 1 1 331.416 0.647 20 30 ECEDMO C#CCN(C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1)C1CC[NH+](C)CC1 ZINC000922438374 611350687 /nfs/dbraw/zinc/35/06/87/611350687.db2.gz WWURXACQHFYHGL-CYBMUJFWSA-N 1 1 341.477 0.691 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000933622280 611736018 /nfs/dbraw/zinc/73/60/18/611736018.db2.gz CXLMOCCZUZYPHA-LBPRGKRZSA-N 1 1 338.408 0.693 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(CC)C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC000950631454 611805619 /nfs/dbraw/zinc/80/56/19/611805619.db2.gz OCEHLTLVSQVJAT-IRXDYDNUSA-N 1 1 348.491 0.790 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000934838592 611824812 /nfs/dbraw/zinc/82/48/12/611824812.db2.gz NDXXINYIELZJBV-QZTJIDSGSA-N 1 1 333.476 0.902 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1COC(=O)N1)CCO2 ZINC000949083413 611846476 /nfs/dbraw/zinc/84/64/76/611846476.db2.gz FBPIHIFNPMXWIR-LBPRGKRZSA-N 1 1 343.811 0.541 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)no1 ZINC000950753935 611889292 /nfs/dbraw/zinc/88/92/92/611889292.db2.gz OOUHEWWAUPNCTI-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)no1 ZINC000950753935 611889293 /nfs/dbraw/zinc/88/92/93/611889293.db2.gz OOUHEWWAUPNCTI-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)/C=C/c1ccc[nH]1 ZINC000950755137 611890698 /nfs/dbraw/zinc/89/06/98/611890698.db2.gz DZWLWYYSBYEGCM-PWHGLLLSSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)/C=C/c1ccc[nH]1 ZINC000950755137 611890701 /nfs/dbraw/zinc/89/07/01/611890701.db2.gz DZWLWYYSBYEGCM-PWHGLLLSSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1(CF)CCC1 ZINC000950755105 611890830 /nfs/dbraw/zinc/89/08/30/611890830.db2.gz DICIJUBTOLSEJQ-CABCVRRESA-N 1 1 335.423 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1(CF)CCC1 ZINC000950755105 611890831 /nfs/dbraw/zinc/89/08/31/611890831.db2.gz DICIJUBTOLSEJQ-CABCVRRESA-N 1 1 335.423 0.941 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC000950235188 611920270 /nfs/dbraw/zinc/92/02/70/611920270.db2.gz LLHSUIFPMHEEEC-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC000950241444 611924179 /nfs/dbraw/zinc/92/41/79/611924179.db2.gz GQZVEYZWAJQKHP-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ocnc2C)C1 ZINC000950309768 611965959 /nfs/dbraw/zinc/96/59/59/611965959.db2.gz HEXLVGSQUJQZDE-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ocnc2C)C1 ZINC000950309768 611965961 /nfs/dbraw/zinc/96/59/61/611965961.db2.gz HEXLVGSQUJQZDE-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3COCCN3CC)CC2)C1 ZINC000949401634 611965987 /nfs/dbraw/zinc/96/59/87/611965987.db2.gz ICWZAODEDPHTQZ-QGZVFWFLSA-N 1 1 349.475 0.424 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC000949423980 611974010 /nfs/dbraw/zinc/97/40/10/611974010.db2.gz ZRHUXBUIANZWKH-UHFFFAOYSA-N 1 1 333.436 0.720 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC000949423980 611974011 /nfs/dbraw/zinc/97/40/11/611974011.db2.gz ZRHUXBUIANZWKH-UHFFFAOYSA-N 1 1 333.436 0.720 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000949426907 611975264 /nfs/dbraw/zinc/97/52/64/611975264.db2.gz ALTZXMFJAIFAHT-INIZCTEOSA-N 1 1 347.459 0.619 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 ZINC000949433203 611978421 /nfs/dbraw/zinc/97/84/21/611978421.db2.gz IMFKSUKFACNZIR-AWEZNQCLSA-N 1 1 336.436 0.280 20 30 ECEDMO CC#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000949471002 611991607 /nfs/dbraw/zinc/99/16/07/611991607.db2.gz NNRVZSSTXVXCKH-SJORKVTESA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CCc3cn[nH]n3)CC2)C1 ZINC000949474719 611993502 /nfs/dbraw/zinc/99/35/02/611993502.db2.gz JFLCKKMZZSFNDA-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO C#CCC[N@@H+]1CCOC2(CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC000949474719 611993505 /nfs/dbraw/zinc/99/35/05/611993505.db2.gz JFLCKKMZZSFNDA-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC000949474719 611993507 /nfs/dbraw/zinc/99/35/07/611993507.db2.gz JFLCKKMZZSFNDA-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC3(CC2)C[N@@H+](CCOC)CCO3)nn1 ZINC000949489924 612002793 /nfs/dbraw/zinc/00/27/93/612002793.db2.gz VGSXEDJTTDLELP-UHFFFAOYSA-N 1 1 349.435 0.418 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC000949499483 612009382 /nfs/dbraw/zinc/00/93/82/612009382.db2.gz SZDCABMGUXUDQK-UHFFFAOYSA-N 1 1 334.424 0.333 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3[nH]cnc3C)CC2)C1 ZINC000949518594 612018557 /nfs/dbraw/zinc/01/85/57/612018557.db2.gz ZXQRSJGFBVKVLH-UHFFFAOYSA-N 1 1 330.432 0.977 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)Cc3[nH]cnc3C)CC2)C1 ZINC000949518594 612018559 /nfs/dbraw/zinc/01/85/59/612018559.db2.gz ZXQRSJGFBVKVLH-UHFFFAOYSA-N 1 1 330.432 0.977 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950476445 612034166 /nfs/dbraw/zinc/03/41/66/612034166.db2.gz ATIRTNNKFDXJTI-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000950507683 612045158 /nfs/dbraw/zinc/04/51/58/612045158.db2.gz BINCRUQVFBBIEU-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000953131232 612173607 /nfs/dbraw/zinc/17/36/07/612173607.db2.gz UGKXORHCKGPRDZ-APWZRJJASA-N 1 1 329.444 0.945 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000951354114 612178880 /nfs/dbraw/zinc/17/88/80/612178880.db2.gz HWQNOZKEDJTGST-YYHKSVKZSA-N 1 1 347.459 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC000952165182 612259484 /nfs/dbraw/zinc/25/94/84/612259484.db2.gz IFSQMRDQMXQTID-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC000952165182 612259487 /nfs/dbraw/zinc/25/94/87/612259487.db2.gz IFSQMRDQMXQTID-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)C1CN(C(=O)C#CC3CC3)C1)C2 ZINC000955340547 612461691 /nfs/dbraw/zinc/46/16/91/612461691.db2.gz DAEIVYGUVKALIY-OAHLLOKOSA-N 1 1 340.427 0.837 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnc(C)n2C)C1 ZINC000954630803 612468257 /nfs/dbraw/zinc/46/82/57/612468257.db2.gz KJDMHWXXJWZDJW-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnc(C)n2C)C1 ZINC000954630803 612468260 /nfs/dbraw/zinc/46/82/60/612468260.db2.gz KJDMHWXXJWZDJW-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000953949810 612481116 /nfs/dbraw/zinc/48/11/16/612481116.db2.gz QKCKKKUKPSFHFJ-UAGQMJEPSA-N 1 1 349.475 0.979 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000953958703 612496114 /nfs/dbraw/zinc/49/61/14/612496114.db2.gz LLSVMTWXBWBPCV-CQSZACIVSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000953958940 612497567 /nfs/dbraw/zinc/49/75/67/612497567.db2.gz PWBVWFINAHWROM-CYBMUJFWSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)nc1 ZINC000954710424 612581617 /nfs/dbraw/zinc/58/16/17/612581617.db2.gz SNTZVHYCDLYIPJ-KRWDZBQOSA-N 1 1 340.427 0.830 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956834906 612606729 /nfs/dbraw/zinc/60/67/29/612606729.db2.gz XBIRJCCOCSEHQH-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956836805 612607711 /nfs/dbraw/zinc/60/77/11/612607711.db2.gz FIUNPQSHEOFNHY-QGZVFWFLSA-N 1 1 340.387 0.812 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000954072749 612630902 /nfs/dbraw/zinc/63/09/02/612630902.db2.gz HBCPNPLMSHERHW-OAHLLOKOSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC000956053493 612652757 /nfs/dbraw/zinc/65/27/57/612652757.db2.gz XDLOBYIJRIWRGW-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC000956053493 612652759 /nfs/dbraw/zinc/65/27/59/612652759.db2.gz XDLOBYIJRIWRGW-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954108389 612671854 /nfs/dbraw/zinc/67/18/54/612671854.db2.gz YHOWYAOTRGBRRD-IAQYHMDHSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cncnc1 ZINC000956073054 612676793 /nfs/dbraw/zinc/67/67/93/612676793.db2.gz LTNAGUAVDSASER-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cncnc1 ZINC000956073054 612676797 /nfs/dbraw/zinc/67/67/97/612676797.db2.gz LTNAGUAVDSASER-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC000954912246 612781965 /nfs/dbraw/zinc/78/19/65/612781965.db2.gz GRFXVJGVIVQPRX-CJNGLKHVSA-N 1 1 340.427 0.543 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954322864 612852768 /nfs/dbraw/zinc/85/27/68/612852768.db2.gz VWWHEXOKAKLQPU-PVAVHDDUSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954393860 612889114 /nfs/dbraw/zinc/88/91/14/612889114.db2.gz GQTVSIANBWSKNW-SIXLDLHFSA-N 1 1 349.475 0.977 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000954405863 612894509 /nfs/dbraw/zinc/89/45/09/612894509.db2.gz IYDWMZQMFKDHHA-CZUORRHYSA-N 1 1 340.427 0.686 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccc[nH]2)C1 ZINC000956702554 612934776 /nfs/dbraw/zinc/93/47/76/612934776.db2.gz KFLPQWGLBNSZHI-YJBOKZPZSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccc[nH]2)C1 ZINC000956702554 612934777 /nfs/dbraw/zinc/93/47/77/612934777.db2.gz KFLPQWGLBNSZHI-YJBOKZPZSA-N 1 1 328.416 0.833 20 30 ECEDMO Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(C#N)n1 ZINC001164738867 720711471 /nfs/dbraw/zinc/71/14/71/720711471.db2.gz LEGIIRDWLDIATQ-KGLIPLIRSA-N 1 1 337.387 0.789 20 30 ECEDMO Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C#N)n1 ZINC001164739877 720748420 /nfs/dbraw/zinc/74/84/20/720748420.db2.gz JEFJDZSLFCLZKH-ZIAGYGMSSA-N 1 1 337.387 0.789 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C#N)nc(C)n3)CC[C@H]2C1 ZINC001164860071 720889536 /nfs/dbraw/zinc/88/95/36/720889536.db2.gz ODTWUUIVXWSSMK-HOCLYGCPSA-N 1 1 331.420 0.830 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4[nH]cnc4c3)C2)C1 ZINC000972394454 736114773 /nfs/dbraw/zinc/11/47/73/736114773.db2.gz HXMRXDHNVWUZQU-GOSISDBHSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4[nH]cnc4c3)C2)C1 ZINC000972394454 736114775 /nfs/dbraw/zinc/11/47/75/736114775.db2.gz HXMRXDHNVWUZQU-GOSISDBHSA-N 1 1 339.399 0.898 20 30 ECEDMO O=C(C#CC1CC1)N1CCCC[C@@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001024959948 738429873 /nfs/dbraw/zinc/42/98/73/738429873.db2.gz KOZBBIOGZFELSQ-OAHLLOKOSA-N 1 1 328.420 0.892 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001104537410 738446712 /nfs/dbraw/zinc/44/67/12/738446712.db2.gz DROYBSJLJPHZNX-TZMCWYRMSA-N 1 1 346.435 0.500 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001104537410 738446714 /nfs/dbraw/zinc/44/67/14/738446714.db2.gz DROYBSJLJPHZNX-TZMCWYRMSA-N 1 1 346.435 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1nc(C)no1 ZINC001024987768 738462435 /nfs/dbraw/zinc/46/24/35/738462435.db2.gz TUVZAJCZXYFXPZ-CVEARBPZSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1nc(C)no1 ZINC001024987768 738462436 /nfs/dbraw/zinc/46/24/36/738462436.db2.gz TUVZAJCZXYFXPZ-CVEARBPZSA-N 1 1 345.447 0.946 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CC(N)=O)C2)c[nH]1 ZINC001087348923 738524335 /nfs/dbraw/zinc/52/43/35/738524335.db2.gz BRZARQURPHSIDK-HJPIBITLSA-N 1 1 327.388 0.154 20 30 ECEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000969151167 731527138 /nfs/dbraw/zinc/52/71/38/731527138.db2.gz RJSRDTOMJYXJDZ-KGLIPLIRSA-N 1 1 329.466 0.615 20 30 ECEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC000969156503 731541220 /nfs/dbraw/zinc/54/12/20/731541220.db2.gz UQVZIGWTHONTSC-ZDUSSCGKSA-N 1 1 334.424 0.314 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@@H](n2ccnn2)C1 ZINC001069976942 790269791 /nfs/dbraw/zinc/26/97/91/790269791.db2.gz GRPLTPHDEMCEPR-HPFXQQBRSA-N 1 1 343.431 0.602 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cnccn3)C2)C1=O ZINC000969233687 731629402 /nfs/dbraw/zinc/62/94/02/731629402.db2.gz PMXMNPFTIASPNY-IUODEOHRSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3snnc3C)C2)C1=O ZINC000969279632 731669563 /nfs/dbraw/zinc/66/95/63/731669563.db2.gz AYPUOVWYTWYJDY-GXFFZTMASA-N 1 1 349.460 0.684 20 30 ECEDMO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005287 738534262 /nfs/dbraw/zinc/53/42/62/738534262.db2.gz DQYGTNVUODDECS-UONOGXRCSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005287 738534265 /nfs/dbraw/zinc/53/42/65/738534265.db2.gz DQYGTNVUODDECS-UONOGXRCSA-N 1 1 329.404 0.605 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)[nH]1 ZINC001087351057 738535921 /nfs/dbraw/zinc/53/59/21/738535921.db2.gz LTNXWMZDHZVHIG-DNVSUFBTSA-N 1 1 327.388 0.154 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973010663 738538471 /nfs/dbraw/zinc/53/84/71/738538471.db2.gz NXPCJLGELDXVJO-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973010663 738538475 /nfs/dbraw/zinc/53/84/75/738538475.db2.gz NXPCJLGELDXVJO-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3csc4nccn34)[C@H]2C1 ZINC001083276679 738546184 /nfs/dbraw/zinc/54/61/84/738546184.db2.gz QBAAAYQXWGOQHH-LSDHHAIUSA-N 1 1 344.440 0.873 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3csc4nccn34)[C@H]2C1 ZINC001083276679 738546186 /nfs/dbraw/zinc/54/61/86/738546186.db2.gz QBAAAYQXWGOQHH-LSDHHAIUSA-N 1 1 344.440 0.873 20 30 ECEDMO C[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C#CC1CC1)C[C@@H](C)O2 ZINC001098596601 738554181 /nfs/dbraw/zinc/55/41/81/738554181.db2.gz WSRNZIUWIWBLHI-KGLIPLIRSA-N 1 1 333.432 0.356 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1COCCN1C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969517689 731938329 /nfs/dbraw/zinc/93/83/29/731938329.db2.gz NAWKICYGDUDTRG-RDTXWAMCSA-N 1 1 342.443 0.825 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)C3=CCOCC3)C2)C1=O ZINC000969549618 731958363 /nfs/dbraw/zinc/95/83/63/731958363.db2.gz UUJXLIBQOPUOPA-CJNGLKHVSA-N 1 1 333.432 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccnn3CC)C2)C1=O ZINC000969553021 731969433 /nfs/dbraw/zinc/96/94/33/731969433.db2.gz YTMHMDQTKJJAFC-CZUORRHYSA-N 1 1 345.447 0.740 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969787099 732354000 /nfs/dbraw/zinc/35/40/00/732354000.db2.gz BGUNIGFIPYVLJP-DOTOQJQBSA-N 1 1 339.439 0.953 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cn(C)nn2)c1 ZINC001025078202 738610587 /nfs/dbraw/zinc/61/05/87/738610587.db2.gz PUFXGXUHVIFVJD-QGZVFWFLSA-N 1 1 338.415 0.976 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cnc(C)cn2)C1 ZINC000969866562 732465167 /nfs/dbraw/zinc/46/51/67/732465167.db2.gz YFLMRWNEBHWCJM-YJBOKZPZSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cnc(C)cn2)C1 ZINC000969866562 732465169 /nfs/dbraw/zinc/46/51/69/732465169.db2.gz YFLMRWNEBHWCJM-YJBOKZPZSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nc(C)no2)C1 ZINC000969867388 732465721 /nfs/dbraw/zinc/46/57/21/732465721.db2.gz CKORUYHCZKTPMS-DOMZBBRYSA-N 1 1 331.420 0.412 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nc(C)no2)C1 ZINC000969867388 732465724 /nfs/dbraw/zinc/46/57/24/732465724.db2.gz CKORUYHCZKTPMS-DOMZBBRYSA-N 1 1 331.420 0.412 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC000969925706 732523617 /nfs/dbraw/zinc/52/36/17/732523617.db2.gz DGTJUFNAUPUUMH-FZMZJTMJSA-N 1 1 345.403 0.019 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4ccncc4C3)[C@H]2C1 ZINC001083193737 732626037 /nfs/dbraw/zinc/62/60/37/732626037.db2.gz GNCOBCBEKRKXPU-RYQLBKOJSA-N 1 1 325.412 0.731 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4ccncc4C3)[C@H]2C1 ZINC001083193737 732626042 /nfs/dbraw/zinc/62/60/42/732626042.db2.gz GNCOBCBEKRKXPU-RYQLBKOJSA-N 1 1 325.412 0.731 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2sccc2-n2cnnn2)C1 ZINC000970046957 732675177 /nfs/dbraw/zinc/67/51/77/732675177.db2.gz DUTFCWRNAQHKGA-LLVKDONJSA-N 1 1 330.417 0.797 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CCCn2cncn2)CC1 ZINC001098527136 732721720 /nfs/dbraw/zinc/72/17/20/732721720.db2.gz VJXDFINMIHEZPK-UHFFFAOYSA-N 1 1 333.436 0.367 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cncn3C)C2)C1=O ZINC000970077819 732726982 /nfs/dbraw/zinc/72/69/82/732726982.db2.gz XHTOVGSNFAORPH-GXTWGEPZSA-N 1 1 331.420 0.257 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC001041827228 782284149 /nfs/dbraw/zinc/28/41/49/782284149.db2.gz LFRUKRKFKHENOJ-KRWDZBQOSA-N 1 1 330.388 0.869 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nnc4c3CCCC4)[C@H]2C1 ZINC001083196169 732941384 /nfs/dbraw/zinc/94/13/84/732941384.db2.gz IHAOAZJGDRXOHC-JKSUJKDBSA-N 1 1 331.420 0.255 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3nnc4c3CCCC4)[C@H]2C1 ZINC001083196169 732941388 /nfs/dbraw/zinc/94/13/88/732941388.db2.gz IHAOAZJGDRXOHC-JKSUJKDBSA-N 1 1 331.420 0.255 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836242 782311124 /nfs/dbraw/zinc/31/11/24/782311124.db2.gz RMUQIFRWUJNBLG-DZGCQCFKSA-N 1 1 327.450 0.179 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC001041836466 782312885 /nfs/dbraw/zinc/31/28/85/782312885.db2.gz XFNJLBNBJKFDQR-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1ccc(C)nn1 ZINC001125327447 733048264 /nfs/dbraw/zinc/04/82/64/733048264.db2.gz PASCNITURAJECR-CVEARBPZSA-N 1 1 345.447 0.138 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1ccc(C)nn1 ZINC001125327447 733048266 /nfs/dbraw/zinc/04/82/66/733048266.db2.gz PASCNITURAJECR-CVEARBPZSA-N 1 1 345.447 0.138 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC001098532945 733054561 /nfs/dbraw/zinc/05/45/61/733054561.db2.gz LTDWOAKKEIBILA-AWEZNQCLSA-N 1 1 345.447 0.218 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001098532945 733054566 /nfs/dbraw/zinc/05/45/66/733054566.db2.gz LTDWOAKKEIBILA-AWEZNQCLSA-N 1 1 345.447 0.218 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001098532945 733054569 /nfs/dbraw/zinc/05/45/69/733054569.db2.gz LTDWOAKKEIBILA-AWEZNQCLSA-N 1 1 345.447 0.218 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001098532945 733054572 /nfs/dbraw/zinc/05/45/72/733054572.db2.gz LTDWOAKKEIBILA-AWEZNQCLSA-N 1 1 345.447 0.218 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001098532945 733054575 /nfs/dbraw/zinc/05/45/75/733054575.db2.gz LTDWOAKKEIBILA-AWEZNQCLSA-N 1 1 345.447 0.218 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CNc2nccnc2C#N)C(C)(C)C)C1 ZINC001125828843 738684355 /nfs/dbraw/zinc/68/43/55/738684355.db2.gz XJJGNJOJJWHJLD-UONOGXRCSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CNc2nccnc2C#N)C(C)(C)C)C1 ZINC001125828843 738684358 /nfs/dbraw/zinc/68/43/58/738684358.db2.gz XJJGNJOJJWHJLD-UONOGXRCSA-N 1 1 346.435 0.622 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000970220963 733230867 /nfs/dbraw/zinc/23/08/67/733230867.db2.gz OPMKTSDUYQYZOX-IPYPFGDCSA-N 1 1 334.424 0.272 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC000970254908 733262136 /nfs/dbraw/zinc/26/21/36/733262136.db2.gz DYMLSQKPHQRHGH-WBMJQRKESA-N 1 1 339.395 0.523 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cnc(C)n3C)C2)C1=O ZINC000970332178 733357577 /nfs/dbraw/zinc/35/75/77/733357577.db2.gz REZUQLGZZHZWMG-DOMZBBRYSA-N 1 1 345.447 0.566 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2O)CC1 ZINC000970336051 733380340 /nfs/dbraw/zinc/38/03/40/733380340.db2.gz GZHURMJLKZEAOM-DZUCGIPZSA-N 1 1 349.475 0.761 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970353781 733403448 /nfs/dbraw/zinc/40/34/48/733403448.db2.gz GTDYZGUIAZQVIT-ZANVPECISA-N 1 1 333.417 0.238 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970353778 733403455 /nfs/dbraw/zinc/40/34/55/733403455.db2.gz GTDYZGUIAZQVIT-NOZJJQNGSA-N 1 1 333.417 0.238 20 30 ECEDMO C=C1CCC(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC000970378609 733443516 /nfs/dbraw/zinc/44/35/16/733443516.db2.gz XMNDYMCUCNRJAR-DOMZBBRYSA-N 1 1 333.432 0.975 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[NH2+]Cc1nnnn1CCCC ZINC001149131113 733459425 /nfs/dbraw/zinc/45/94/25/733459425.db2.gz VWUYKJREYCMGDE-UHFFFAOYSA-N 1 1 340.431 0.903 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC000970397735 733464650 /nfs/dbraw/zinc/46/46/50/733464650.db2.gz GEHZFCARABZVTQ-SUMWQHHRSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCN(C)C3=O)C2)c1 ZINC000970402330 733474322 /nfs/dbraw/zinc/47/43/22/733474322.db2.gz XQIQOZMLQMMXQR-WBMJQRKESA-N 1 1 326.400 0.344 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC000970445937 733543161 /nfs/dbraw/zinc/54/31/61/733543161.db2.gz QBOAOBCNJKXLLD-CYBMUJFWSA-N 1 1 342.403 0.779 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001041860506 782355898 /nfs/dbraw/zinc/35/58/98/782355898.db2.gz FJZIHRPWRQJBID-KBXCAEBGSA-N 1 1 333.432 0.930 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC(C)C)NC(C)=O)CC1 ZINC001098538716 733715752 /nfs/dbraw/zinc/71/57/52/733715752.db2.gz YGRBZOQZGCDBPW-QGZVFWFLSA-N 1 1 337.464 0.456 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC000970711855 733859302 /nfs/dbraw/zinc/85/93/02/733859302.db2.gz SPWYEQWQBUUPAI-ZDUSSCGKSA-N 1 1 331.420 0.703 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3snnc3C)C2)CC1 ZINC000970792544 733943641 /nfs/dbraw/zinc/94/36/41/733943641.db2.gz NNCAPJFVENFGCD-OAHLLOKOSA-N 1 1 347.488 0.882 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)C[C@@H](NC(=O)C(N)=O)c1ccccc1O2 ZINC001098544368 734093533 /nfs/dbraw/zinc/09/35/33/734093533.db2.gz KPEOEZMSEVNFDH-KDOFPFPSSA-N 1 1 327.384 0.580 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001111488272 734111405 /nfs/dbraw/zinc/11/14/05/734111405.db2.gz FBDDZSHNGXPBCL-MIGQKNRLSA-N 1 1 335.448 0.825 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001111488272 734111407 /nfs/dbraw/zinc/11/14/07/734111407.db2.gz FBDDZSHNGXPBCL-MIGQKNRLSA-N 1 1 335.448 0.825 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cnc(C)cn3)C2)C1=O ZINC000971016384 734181038 /nfs/dbraw/zinc/18/10/38/734181038.db2.gz UWAGOXMXWDMGDY-ZBFHGGJFSA-N 1 1 343.431 0.718 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cccn3)C2)C1=O ZINC000971075153 734235667 /nfs/dbraw/zinc/23/56/67/734235667.db2.gz LWLIEDNWRDVQQL-CABCVRRESA-N 1 1 331.420 0.203 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CN(c2cc(C)[nH+]c(C)n2)CCO1 ZINC001104317372 734262505 /nfs/dbraw/zinc/26/25/05/734262505.db2.gz VRUAPYRXHZWCDU-YOEHRIQHSA-N 1 1 334.420 0.742 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104318913 734286783 /nfs/dbraw/zinc/28/67/83/734286783.db2.gz VSOKGZGKDXFWKY-CQSZACIVSA-N 1 1 332.408 0.010 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 ZINC001104322887 734301212 /nfs/dbraw/zinc/30/12/12/734301212.db2.gz FAZHIDJPRZWACO-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 ZINC001104323066 734301812 /nfs/dbraw/zinc/30/18/12/734301812.db2.gz IAOPPRGZXMVNLX-HNNXBMFYSA-N 1 1 346.435 0.402 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104323413 734304083 /nfs/dbraw/zinc/30/40/83/734304083.db2.gz PTVIQOVGRBQVCR-OAHLLOKOSA-N 1 1 331.420 0.616 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001098548147 734320236 /nfs/dbraw/zinc/32/02/36/734320236.db2.gz PWTNSYVYXJSSAL-MRXNPFEDSA-N 1 1 335.448 0.163 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)C1=O ZINC000971167365 734332322 /nfs/dbraw/zinc/33/23/22/734332322.db2.gz ROKYNWRQTIXFMM-HOCLYGCPSA-N 1 1 345.447 0.662 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCSC)C1 ZINC001111585126 734333858 /nfs/dbraw/zinc/33/38/58/734333858.db2.gz GFZWSTKPATZIQW-KEYYUXOJSA-N 1 1 337.489 0.848 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001098548578 734336068 /nfs/dbraw/zinc/33/60/68/734336068.db2.gz VYKDOOFQUSPTCZ-UHFFFAOYSA-N 1 1 348.447 0.196 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3ccnn3C)C2)C1=O ZINC000971182049 734342131 /nfs/dbraw/zinc/34/21/31/734342131.db2.gz ULSCMZSWBCLISR-KBPBESRZSA-N 1 1 331.420 0.353 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)CC2CCS(=O)(=O)CC2)C1 ZINC000971220471 734370987 /nfs/dbraw/zinc/37/09/87/734370987.db2.gz GZRMKWSKKAAPMQ-GXTWGEPZSA-N 1 1 327.450 0.504 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cc(C)on3)C2)C1=O ZINC000971228489 734372386 /nfs/dbraw/zinc/37/23/86/734372386.db2.gz FBAYJDUUQVGQMS-HOTGVXAUSA-N 1 1 346.431 0.845 20 30 ECEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971237712 734385799 /nfs/dbraw/zinc/38/57/99/734385799.db2.gz AXSPTELUPAAXGB-AWEZNQCLSA-N 1 1 330.388 0.497 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3nc(C)ncc3Cl)[C@H]2C1 ZINC001083215354 734421084 /nfs/dbraw/zinc/42/10/84/734421084.db2.gz UPDFNHPUKNNMDH-UONOGXRCSA-N 1 1 334.807 0.987 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3nc(C)ncc3Cl)[C@H]2C1 ZINC001083215354 734421088 /nfs/dbraw/zinc/42/10/88/734421088.db2.gz UPDFNHPUKNNMDH-UONOGXRCSA-N 1 1 334.807 0.987 20 30 ECEDMO Cn1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)cc1=O ZINC000971290736 734422488 /nfs/dbraw/zinc/42/24/88/734422488.db2.gz DRCQMMXPIWZOBA-HNNXBMFYSA-N 1 1 339.399 0.932 20 30 ECEDMO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000971289843 734422956 /nfs/dbraw/zinc/42/29/56/734422956.db2.gz VGJNELMBYCMMIW-OAHLLOKOSA-N 1 1 341.419 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1nonc1C ZINC001078165543 782413908 /nfs/dbraw/zinc/41/39/08/782413908.db2.gz LFRIDLSEETXDMD-WFASDCNBSA-N 1 1 347.419 0.029 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1nonc1C ZINC001078165543 782413911 /nfs/dbraw/zinc/41/39/11/782413911.db2.gz LFRIDLSEETXDMD-WFASDCNBSA-N 1 1 347.419 0.029 20 30 ECEDMO CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000971377154 734488652 /nfs/dbraw/zinc/48/86/52/734488652.db2.gz UNOOSLDCDKGIIH-LSDHHAIUSA-N 1 1 329.404 0.653 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 ZINC001104350283 734525562 /nfs/dbraw/zinc/52/55/62/734525562.db2.gz SPMZGOUTDQVVJQ-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973150463 738830466 /nfs/dbraw/zinc/83/04/66/738830466.db2.gz OFSXITRWMXBSOM-JOCQHMNTSA-N 1 1 326.360 0.469 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nnnc3C(C)C)[C@H]2C1 ZINC001083218182 734612046 /nfs/dbraw/zinc/61/20/46/734612046.db2.gz FXGIGLLDKYEHTI-LSDHHAIUSA-N 1 1 348.451 0.674 20 30 ECEDMO C=CCOCC[N@H+](CCO)C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001098553236 734661646 /nfs/dbraw/zinc/66/16/46/734661646.db2.gz OIHHJQMSANCVAZ-UHFFFAOYSA-N 1 1 349.431 0.889 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3nn(C)cc3C)C2)C1=O ZINC000971528648 734715101 /nfs/dbraw/zinc/71/51/01/734715101.db2.gz OBXAFCQPYJHHJE-LSDHHAIUSA-N 1 1 345.447 0.662 20 30 ECEDMO CC(C)N(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125526840 734780179 /nfs/dbraw/zinc/78/01/79/734780179.db2.gz BMHSXOSARFOUOG-CQSZACIVSA-N 1 1 330.436 0.973 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C#CC1CC1)c1nnnn1C ZINC001087164816 734851467 /nfs/dbraw/zinc/85/14/67/734851467.db2.gz QFAAWRBDAUQKTH-NFAWXSAZSA-N 1 1 330.436 0.901 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+]CC1(CCNC(=O)c2ncn[nH]2)CC1 ZINC001167484100 734869878 /nfs/dbraw/zinc/86/98/78/734869878.db2.gz SYCDVWBBMGVRKZ-UHFFFAOYSA-N 1 1 346.435 0.495 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+]CC1(CCNC(=O)c2nc[nH]n2)CC1 ZINC001167484100 734869880 /nfs/dbraw/zinc/86/98/80/734869880.db2.gz SYCDVWBBMGVRKZ-UHFFFAOYSA-N 1 1 346.435 0.495 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000971654100 734887324 /nfs/dbraw/zinc/88/73/24/734887324.db2.gz MCTRFWCDDWKTIY-KFWWJZLASA-N 1 1 335.448 0.589 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000971654100 734887326 /nfs/dbraw/zinc/88/73/26/734887326.db2.gz MCTRFWCDDWKTIY-KFWWJZLASA-N 1 1 335.448 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nnc(CC)o2)C1 ZINC000971703966 734965519 /nfs/dbraw/zinc/96/55/19/734965519.db2.gz NYKSPGBWIVLIPA-CABCVRRESA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nnc(CC)o2)C1 ZINC000971703966 734965521 /nfs/dbraw/zinc/96/55/21/734965521.db2.gz NYKSPGBWIVLIPA-CABCVRRESA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2csnn2)C1 ZINC000971703983 734965526 /nfs/dbraw/zinc/96/55/26/734965526.db2.gz OKZXOHVLSQEAAK-GJZGRUSLSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2csnn2)C1 ZINC000971703983 734965528 /nfs/dbraw/zinc/96/55/28/734965528.db2.gz OKZXOHVLSQEAAK-GJZGRUSLSA-N 1 1 333.461 0.668 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817970 735123660 /nfs/dbraw/zinc/12/36/60/735123660.db2.gz LKCCYASIYTVARP-VXGBXAGGSA-N 1 1 339.827 0.831 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817970 735123662 /nfs/dbraw/zinc/12/36/62/735123662.db2.gz LKCCYASIYTVARP-VXGBXAGGSA-N 1 1 339.827 0.831 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4ncccn4n3)[C@H]2C1 ZINC001083229184 735215968 /nfs/dbraw/zinc/21/59/68/735215968.db2.gz OAXLAEJQCHUMGF-LSDHHAIUSA-N 1 1 327.388 0.831 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc4ncccn4n3)[C@H]2C1 ZINC001083229184 735215972 /nfs/dbraw/zinc/21/59/72/735215972.db2.gz OAXLAEJQCHUMGF-LSDHHAIUSA-N 1 1 327.388 0.831 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC000972058551 735594087 /nfs/dbraw/zinc/59/40/87/735594087.db2.gz KKQWZQNMQVNXFT-JKSUJKDBSA-N 1 1 339.395 0.619 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000972087629 735631543 /nfs/dbraw/zinc/63/15/43/735631543.db2.gz AAAOGGSQORGRPC-HZPDHXFCSA-N 1 1 326.400 0.664 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972201388 735778714 /nfs/dbraw/zinc/77/87/14/735778714.db2.gz XXIXHXHTGRVEKO-CABCVRRESA-N 1 1 327.388 0.272 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC000972246147 735834247 /nfs/dbraw/zinc/83/42/47/735834247.db2.gz OGVGDNGZXOYMDC-OCCSQVGLSA-N 1 1 347.419 0.059 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3c4c(nn3C)CCC4)[C@H]2C1 ZINC001083246307 735893409 /nfs/dbraw/zinc/89/34/09/735893409.db2.gz KQOKDCDISCTQPX-JKSUJKDBSA-N 1 1 328.416 0.457 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341230 735969985 /nfs/dbraw/zinc/96/99/85/735969985.db2.gz CCOISUMEKMPEDA-XHSDSOJGSA-N 1 1 326.400 0.712 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC000972349446 735986538 /nfs/dbraw/zinc/98/65/38/735986538.db2.gz ZAANRRUOXUJCRY-AEFFLSMTSA-N 1 1 337.464 0.587 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4n[nH]cc4C3)[C@H]2C1 ZINC001083247366 735989289 /nfs/dbraw/zinc/98/92/89/735989289.db2.gz MUFULZCUCYUVEZ-RRQGHBQHSA-N 1 1 328.416 0.450 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4n[nH]cc4C3)[C@H]2C1 ZINC001083247366 735989292 /nfs/dbraw/zinc/98/92/92/735989292.db2.gz MUFULZCUCYUVEZ-RRQGHBQHSA-N 1 1 328.416 0.450 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3cn[nH]n3)C2)C1=O ZINC000972370509 736025239 /nfs/dbraw/zinc/02/52/39/736025239.db2.gz PWUWZZSCCKCMPD-CABCVRRESA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)CCc3c[nH]nn3)C2)C1=O ZINC000972370509 736025245 /nfs/dbraw/zinc/02/52/45/736025245.db2.gz PWUWZZSCCKCMPD-CABCVRRESA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3c[nH]nn3)C2)C1=O ZINC000972370509 736025249 /nfs/dbraw/zinc/02/52/49/736025249.db2.gz PWUWZZSCCKCMPD-CABCVRRESA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C)nn3)[C@H]2C1 ZINC001083250887 736085337 /nfs/dbraw/zinc/08/53/37/736085337.db2.gz PFGWAMDHPKJHMK-LSDHHAIUSA-N 1 1 331.420 0.644 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972423303 736169312 /nfs/dbraw/zinc/16/93/12/736169312.db2.gz BTZXXLRQPPHYSU-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn(CCOC)n3)C2)C1 ZINC000972458192 736251613 /nfs/dbraw/zinc/25/16/13/736251613.db2.gz HNBKVGWYPXHKSJ-GOSISDBHSA-N 1 1 346.431 0.470 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn(CCOC)n3)C2)C1 ZINC000972458192 736251615 /nfs/dbraw/zinc/25/16/15/736251615.db2.gz HNBKVGWYPXHKSJ-GOSISDBHSA-N 1 1 346.431 0.470 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ncc(OC)cn3)C2)C1 ZINC000972461750 736259081 /nfs/dbraw/zinc/25/90/81/736259081.db2.gz WQKUTOZJTJGHSM-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncc(OC)cn3)C2)C1 ZINC000972461750 736259084 /nfs/dbraw/zinc/25/90/84/736259084.db2.gz WQKUTOZJTJGHSM-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]cnc1C)C2 ZINC001111516300 736312134 /nfs/dbraw/zinc/31/21/34/736312134.db2.gz MGJIPQPBILLELB-DGAVXFQQSA-N 1 1 331.420 0.744 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]cnc1C)C2 ZINC001111516300 736312136 /nfs/dbraw/zinc/31/21/36/736312136.db2.gz MGJIPQPBILLELB-DGAVXFQQSA-N 1 1 331.420 0.744 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001022956936 736317879 /nfs/dbraw/zinc/31/78/79/736317879.db2.gz HGUQYAFCCGCBFC-BETUJISGSA-N 1 1 342.403 0.826 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972492177 736377253 /nfs/dbraw/zinc/37/72/53/736377253.db2.gz IKDHPTNWLBIPNA-KRWDZBQOSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972492177 736377255 /nfs/dbraw/zinc/37/72/55/736377255.db2.gz IKDHPTNWLBIPNA-KRWDZBQOSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3nc(C)c[nH]3)C2)C1=O ZINC000972514627 736512967 /nfs/dbraw/zinc/51/29/67/736512967.db2.gz RSZNZRRDSJKTFO-KBPBESRZSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)nn1 ZINC000972516084 736523621 /nfs/dbraw/zinc/52/36/21/736523621.db2.gz HFXUFAXGMQXCDZ-JSGCOSHPSA-N 1 1 334.424 0.264 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccnn3C)C2)nn1 ZINC000972519356 736537672 /nfs/dbraw/zinc/53/76/72/736537672.db2.gz YMTHJKIEQCDBLU-AWEZNQCLSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccnn3C)C2)nn1 ZINC000972519356 736537676 /nfs/dbraw/zinc/53/76/76/736537676.db2.gz YMTHJKIEQCDBLU-AWEZNQCLSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnn(C)c3)C2)C1=O ZINC001023223177 736598959 /nfs/dbraw/zinc/59/89/59/736598959.db2.gz JAJAJZDCNAYOKF-GOEBONIOSA-N 1 1 345.447 0.649 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccon3)C2)C1=O ZINC001023248513 736615835 /nfs/dbraw/zinc/61/58/35/736615835.db2.gz KODYQWDIWKPPQR-DZGCQCFKSA-N 1 1 332.404 0.903 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCC(=O)N3)[C@H]2C1 ZINC001083259486 736645583 /nfs/dbraw/zinc/64/55/83/736645583.db2.gz DCFSBHDXPVQQSR-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCC(=O)N3)[C@H]2C1 ZINC001083259486 736645584 /nfs/dbraw/zinc/64/55/84/736645584.db2.gz DCFSBHDXPVQQSR-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296034 736655730 /nfs/dbraw/zinc/65/57/30/736655730.db2.gz NJBVOYWLXNRQPU-LBPRGKRZSA-N 1 1 327.392 0.657 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296034 736655731 /nfs/dbraw/zinc/65/57/31/736655731.db2.gz NJBVOYWLXNRQPU-LBPRGKRZSA-N 1 1 327.392 0.657 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cn(C)cn3)C2)C1=O ZINC001023309819 736667591 /nfs/dbraw/zinc/66/75/91/736667591.db2.gz CXTJIZSZERXUQR-GDBMZVCRSA-N 1 1 345.447 0.649 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972547124 736667653 /nfs/dbraw/zinc/66/76/53/736667653.db2.gz VVTXAUPZFCCBGN-QAPCUYQASA-N 1 1 333.432 0.372 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972547124 736667654 /nfs/dbraw/zinc/66/76/54/736667654.db2.gz VVTXAUPZFCCBGN-QAPCUYQASA-N 1 1 333.432 0.372 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nnn(CC)c3CC)C2)C1 ZINC000972548358 736674210 /nfs/dbraw/zinc/67/42/10/736674210.db2.gz HXZDYUIVSBCZOJ-GOSISDBHSA-N 1 1 345.447 0.801 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3nnn(CC)c3CC)C2)C1 ZINC000972548358 736674212 /nfs/dbraw/zinc/67/42/12/736674212.db2.gz HXZDYUIVSBCZOJ-GOSISDBHSA-N 1 1 345.447 0.801 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001023410922 736794168 /nfs/dbraw/zinc/79/41/68/736794168.db2.gz XSRHIRGKGGQDEX-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cnsn2)C1 ZINC001023422697 736810437 /nfs/dbraw/zinc/81/04/37/736810437.db2.gz PAGSHHYDNBHMFG-ZBFHGGJFSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cnsn2)C1 ZINC001023422697 736810441 /nfs/dbraw/zinc/81/04/41/736810441.db2.gz PAGSHHYDNBHMFG-ZBFHGGJFSA-N 1 1 347.488 0.964 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001023447618 736839417 /nfs/dbraw/zinc/83/94/17/736839417.db2.gz RIGAZBICPRKFBY-NSHDSACASA-N 1 1 327.406 0.555 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023449382 736847400 /nfs/dbraw/zinc/84/74/00/736847400.db2.gz OMGRCLGGKQHXGO-ZIAGYGMSSA-N 1 1 333.436 0.950 20 30 ECEDMO C=CCCOCC(=O)N1CCC([N@H+](CCO)C[C@H](C)OC)CC1 ZINC001098577073 736853852 /nfs/dbraw/zinc/85/38/52/736853852.db2.gz DHLHAGOXSFASAR-HNNXBMFYSA-N 1 1 328.453 0.899 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCN2C(=O)CCC2=O)C1 ZINC001111769896 736874547 /nfs/dbraw/zinc/87/45/47/736874547.db2.gz BLYCJNRBWXMQQW-KXBFYZLASA-N 1 1 345.443 0.910 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001023494495 736916444 /nfs/dbraw/zinc/91/64/44/736916444.db2.gz KHBHUQXTRACRDG-ZDUSSCGKSA-N 1 1 326.404 0.828 20 30 ECEDMO C=CCCOCC(=O)N1CCC([N@@H+](CC#CCOC)CCO)CC1 ZINC001098577574 736946603 /nfs/dbraw/zinc/94/66/03/736946603.db2.gz NKYRVGPJWCIPJT-UHFFFAOYSA-N 1 1 338.448 0.514 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001023521205 736955561 /nfs/dbraw/zinc/95/55/61/736955561.db2.gz BMXQYHIZKJFAGU-GFCCVEGCSA-N 1 1 330.396 0.322 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCC(=O)N3C)[C@H]2C1 ZINC001083261740 736990171 /nfs/dbraw/zinc/99/01/71/736990171.db2.gz KCQXAEHIJKJVMU-OWCLPIDISA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972595438 737025595 /nfs/dbraw/zinc/02/55/95/737025595.db2.gz XUVSFLDRVXEZIT-BQFCYCMXSA-N 1 1 338.448 0.653 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972595438 737025600 /nfs/dbraw/zinc/02/56/00/737025600.db2.gz XUVSFLDRVXEZIT-BQFCYCMXSA-N 1 1 338.448 0.653 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCS(C)(=O)=O)C1 ZINC001023599634 737058793 /nfs/dbraw/zinc/05/87/93/737058793.db2.gz PGZCJUIFCBXGIH-ZNMIVQPWSA-N 1 1 344.477 0.450 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCS(C)(=O)=O)C1 ZINC001023599634 737058799 /nfs/dbraw/zinc/05/87/99/737058799.db2.gz PGZCJUIFCBXGIH-ZNMIVQPWSA-N 1 1 344.477 0.450 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972601459 737061525 /nfs/dbraw/zinc/06/15/25/737061525.db2.gz IPYCCYBFUADYAM-SFHVURJKSA-N 1 1 346.431 0.756 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972601459 737061534 /nfs/dbraw/zinc/06/15/34/737061534.db2.gz IPYCCYBFUADYAM-SFHVURJKSA-N 1 1 346.431 0.756 20 30 ECEDMO Cc1cccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)n1 ZINC001111590696 737087715 /nfs/dbraw/zinc/08/77/15/737087715.db2.gz ALMOIUWTAXNOHF-KSSFIOAISA-N 1 1 341.415 0.614 20 30 ECEDMO Cc1cccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)n1 ZINC001111590696 737087717 /nfs/dbraw/zinc/08/77/17/737087717.db2.gz ALMOIUWTAXNOHF-KSSFIOAISA-N 1 1 341.415 0.614 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001023637975 737124950 /nfs/dbraw/zinc/12/49/50/737124950.db2.gz VQAMKCVSGZTJGV-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001023639631 737127905 /nfs/dbraw/zinc/12/79/05/737127905.db2.gz LAEWMTRTZCHLLC-ZFWWWQNUSA-N 1 1 348.451 0.560 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001023643547 737132783 /nfs/dbraw/zinc/13/27/83/737132783.db2.gz BEEYBLGYDXAKAY-QWHCGFSZSA-N 1 1 349.884 0.601 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001023643547 737132788 /nfs/dbraw/zinc/13/27/88/737132788.db2.gz BEEYBLGYDXAKAY-QWHCGFSZSA-N 1 1 349.884 0.601 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001023706485 737223175 /nfs/dbraw/zinc/22/31/75/737223175.db2.gz ROMATSPMFFDAAO-OWCLPIDISA-N 1 1 349.475 0.903 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)nc1 ZINC001023709089 737227458 /nfs/dbraw/zinc/22/74/58/737227458.db2.gz OFVZVILOTYMEDI-MRXNPFEDSA-N 1 1 340.427 0.737 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3nonc3C)C2)C1=O ZINC000972645749 737243159 /nfs/dbraw/zinc/24/31/59/737243159.db2.gz XHDMDDQSARGSTR-HIFRSBDPSA-N 1 1 347.419 0.240 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(C)c3F)C2)C1 ZINC000972659966 737273879 /nfs/dbraw/zinc/27/38/79/737273879.db2.gz QSRUQFDCIFJQBL-QGZVFWFLSA-N 1 1 334.395 0.808 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(C)c3F)C2)C1 ZINC000972659966 737273882 /nfs/dbraw/zinc/27/38/82/737273882.db2.gz QSRUQFDCIFJQBL-QGZVFWFLSA-N 1 1 334.395 0.808 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001023742136 737281333 /nfs/dbraw/zinc/28/13/33/737281333.db2.gz DDGQRDMWBNCDLC-CYBMUJFWSA-N 1 1 334.420 0.894 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001023742935 737283980 /nfs/dbraw/zinc/28/39/80/737283980.db2.gz RVWQODOLTUYVAC-LLVKDONJSA-N 1 1 340.811 0.680 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001023742935 737283981 /nfs/dbraw/zinc/28/39/81/737283981.db2.gz RVWQODOLTUYVAC-LLVKDONJSA-N 1 1 340.811 0.680 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972678297 737358033 /nfs/dbraw/zinc/35/80/33/737358033.db2.gz UJYGEHPOMPMMFM-INIZCTEOSA-N 1 1 334.376 0.411 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972678297 737358039 /nfs/dbraw/zinc/35/80/39/737358039.db2.gz UJYGEHPOMPMMFM-INIZCTEOSA-N 1 1 334.376 0.411 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CN(CC)CCO3)C2)C1 ZINC000972682069 737369858 /nfs/dbraw/zinc/36/98/58/737369858.db2.gz CHROSGKDMRMGEL-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CN(CC)CCO3)C2)C1 ZINC000972682069 737369859 /nfs/dbraw/zinc/36/98/59/737369859.db2.gz CHROSGKDMRMGEL-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972683407 737372636 /nfs/dbraw/zinc/37/26/36/737372636.db2.gz MKVXUEPOKMFIDT-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972683407 737372640 /nfs/dbraw/zinc/37/26/40/737372640.db2.gz MKVXUEPOKMFIDT-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001023941258 737499421 /nfs/dbraw/zinc/49/94/21/737499421.db2.gz JQSKVASRKITMAT-LLVKDONJSA-N 1 1 328.380 0.052 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCCC3=O)C2)nc1 ZINC000972755974 737597057 /nfs/dbraw/zinc/59/70/57/737597057.db2.gz IDPUYCUJABIJFM-MRXNPFEDSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCN3CCCC3=O)C2)nc1 ZINC000972755963 737597109 /nfs/dbraw/zinc/59/71/09/737597109.db2.gz IDPUYCUJABIJFM-INIZCTEOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCNC3=O)C2)cn1 ZINC000972756453 737597550 /nfs/dbraw/zinc/59/75/50/737597550.db2.gz MGBXAWYROULRRX-MRXNPFEDSA-N 1 1 341.415 0.234 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC000972757328 737598474 /nfs/dbraw/zinc/59/84/74/737598474.db2.gz YSHMQUUZJBMZDW-HUUCEWRRSA-N 1 1 340.383 0.014 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H](C)NC(=O)C2CCC2)CC1 ZINC001098583961 737629600 /nfs/dbraw/zinc/62/96/00/737629600.db2.gz HBXNOBCKNAVLJX-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)CCc2cn(C)nn2)CC1 ZINC001098583998 737640192 /nfs/dbraw/zinc/64/01/92/737640192.db2.gz JQOJQFDNGYZGLC-UHFFFAOYSA-N 1 1 335.452 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC3CC3)C[C@H]21 ZINC000972835072 737759000 /nfs/dbraw/zinc/75/90/00/737759000.db2.gz MRYHXSFPUVWXLP-IXDOHACOSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC3CC3)C[C@H]21 ZINC000972835072 737759004 /nfs/dbraw/zinc/75/90/04/737759004.db2.gz MRYHXSFPUVWXLP-IXDOHACOSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@H]21 ZINC000972835466 737759689 /nfs/dbraw/zinc/75/96/89/737759689.db2.gz VHQICRRUZXMSKM-WCXIOVBPSA-N 1 1 345.443 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@H]21 ZINC000972835466 737759691 /nfs/dbraw/zinc/75/96/91/737759691.db2.gz VHQICRRUZXMSKM-WCXIOVBPSA-N 1 1 345.443 0.180 20 30 ECEDMO C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)C1CCC1 ZINC001114959555 737846323 /nfs/dbraw/zinc/84/63/23/737846323.db2.gz GCCWTCBEICNUMO-QLPKVWCKSA-N 1 1 335.448 0.542 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cn(C)nn2)C1=O ZINC001024420816 737955255 /nfs/dbraw/zinc/95/52/55/737955255.db2.gz UZXLJIDEAASEOB-DZGCQCFKSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cn(C)nn2)C1=O ZINC001024420816 737955256 /nfs/dbraw/zinc/95/52/56/737955256.db2.gz UZXLJIDEAASEOB-DZGCQCFKSA-N 1 1 346.435 0.186 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1cnnn1C ZINC001024488301 738015605 /nfs/dbraw/zinc/01/56/05/738015605.db2.gz WQWLTWZROGOGGA-WBVHZDCISA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1cnnn1C ZINC001024488301 738015611 /nfs/dbraw/zinc/01/56/11/738015611.db2.gz WQWLTWZROGOGGA-WBVHZDCISA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC000972919163 738052729 /nfs/dbraw/zinc/05/27/29/738052729.db2.gz ISHUGDAZHZEXKP-DZKIICNBSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC000972919163 738052731 /nfs/dbraw/zinc/05/27/31/738052731.db2.gz ISHUGDAZHZEXKP-DZKIICNBSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001024530276 738064873 /nfs/dbraw/zinc/06/48/73/738064873.db2.gz DCDJAUGDTBRVPH-LBPRGKRZSA-N 1 1 339.417 0.535 20 30 ECEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001024541756 738082473 /nfs/dbraw/zinc/08/24/73/738082473.db2.gz QHPVYAIUIHGDLM-CQSZACIVSA-N 1 1 334.420 0.660 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001024542559 738084282 /nfs/dbraw/zinc/08/42/82/738084282.db2.gz YIXOLTWGSJILJO-HNNXBMFYSA-N 1 1 346.431 0.497 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCOCC3)C(C)(C)[C@H]21 ZINC001087282148 738097595 /nfs/dbraw/zinc/09/75/95/738097595.db2.gz SHIRNQOYCUWDAK-NJAFHUGGSA-N 1 1 333.476 0.947 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCCNC3=O)C(C)(C)[C@@H]21 ZINC001087293729 738136285 /nfs/dbraw/zinc/13/62/85/738136285.db2.gz JDRUXMLRXXMAFQ-FVQBIDKESA-N 1 1 332.448 0.640 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001024760257 738272380 /nfs/dbraw/zinc/27/23/80/738272380.db2.gz RKOSEPWYOOMRMR-GFCCVEGCSA-N 1 1 328.376 0.025 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc(=O)n(C)n3)C(C)(C)[C@@H]21 ZINC001087316865 738272671 /nfs/dbraw/zinc/27/26/71/738272671.db2.gz YPONYMOCYOROKC-DAXOMENPSA-N 1 1 328.416 0.632 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1C(=O)CNC1=O ZINC001087317275 738283577 /nfs/dbraw/zinc/28/35/77/738283577.db2.gz FZRIBWINIFUXQW-UHOFOFEASA-N 1 1 346.431 0.167 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C(C)(C)[C@H]21 ZINC001087317386 738283915 /nfs/dbraw/zinc/28/39/15/738283915.db2.gz HJTUWNRSXAQFBD-DFBGVHRSSA-N 1 1 346.435 0.168 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC001087318016 738289455 /nfs/dbraw/zinc/28/94/55/738289455.db2.gz PTESZZCLBSBFOK-UHOFOFEASA-N 1 1 348.447 0.672 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)(F)F)C2)nn1 ZINC001098592160 738377440 /nfs/dbraw/zinc/37/74/40/738377440.db2.gz SAMAHVGCZNFUKW-ZDUSSCGKSA-N 1 1 343.378 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCCNC1=O ZINC001025248457 738928187 /nfs/dbraw/zinc/92/81/87/738928187.db2.gz ZZSRLLFSOTUTMY-HZPDHXFCSA-N 1 1 332.448 0.880 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025244776 738929574 /nfs/dbraw/zinc/92/95/74/738929574.db2.gz LFRINCIGGUKFQS-LSDHHAIUSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001025287259 739006622 /nfs/dbraw/zinc/00/66/22/739006622.db2.gz CJCDSVJUEPHPLH-CABCVRRESA-N 1 1 348.447 0.912 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001025296311 739015859 /nfs/dbraw/zinc/01/58/59/739015859.db2.gz JIJKUEMEEDEPAS-LSDHHAIUSA-N 1 1 348.447 0.912 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2nc(C)cc(C#N)n2)C1 ZINC001104579260 739020490 /nfs/dbraw/zinc/02/04/90/739020490.db2.gz LPSPWAJKTJLZAS-HIFRSBDPSA-N 1 1 346.435 0.636 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2nc(C)cc(C#N)n2)C1 ZINC001104579260 739020492 /nfs/dbraw/zinc/02/04/92/739020492.db2.gz LPSPWAJKTJLZAS-HIFRSBDPSA-N 1 1 346.435 0.636 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3C)C2)c1 ZINC000973296412 739062365 /nfs/dbraw/zinc/06/23/65/739062365.db2.gz XFHISBNJICXFBY-WKILWMFISA-N 1 1 337.383 0.645 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2oncc2C)C1 ZINC000973410343 739223369 /nfs/dbraw/zinc/22/33/69/739223369.db2.gz DKABDZCDMUHOHW-IHRRRGAJSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2oncc2C)C1 ZINC000973410343 739223375 /nfs/dbraw/zinc/22/33/75/739223375.db2.gz DKABDZCDMUHOHW-IHRRRGAJSA-N 1 1 330.388 0.458 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000973466418 739335946 /nfs/dbraw/zinc/33/59/46/739335946.db2.gz PNDGSNYCGJGKSI-GVRJEKJASA-N 1 1 335.448 0.683 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C(=O)N3CCC[C@H]3CC)C2)nn1 ZINC001105359523 751440608 /nfs/dbraw/zinc/44/06/08/751440608.db2.gz LVARTEWMGJDQLN-CQSZACIVSA-N 1 1 346.435 0.338 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC000982002212 751441401 /nfs/dbraw/zinc/44/14/01/751441401.db2.gz LPUWELJCNZMJRY-UHFFFAOYSA-N 1 1 340.427 0.689 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)N(C)C)C3)c1 ZINC000982002212 751441403 /nfs/dbraw/zinc/44/14/03/751441403.db2.gz LPUWELJCNZMJRY-UHFFFAOYSA-N 1 1 340.427 0.689 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(CCOC)nn2)C1 ZINC001025410997 739430347 /nfs/dbraw/zinc/43/03/47/739430347.db2.gz FEHRUKZDTNCDRG-CABCVRRESA-N 1 1 333.436 0.778 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001028196322 751446012 /nfs/dbraw/zinc/44/60/12/751446012.db2.gz IJHITIUZSUVCII-JZLYGMAVSA-N 1 1 334.420 0.521 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000973545367 739496577 /nfs/dbraw/zinc/49/65/77/739496577.db2.gz QPHHEPAPNWAUSI-YYQUZTFQSA-N 1 1 340.427 0.638 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000988012424 751451383 /nfs/dbraw/zinc/45/13/83/751451383.db2.gz GVFWIEUGXANABC-KGLIPLIRSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001025467700 739609574 /nfs/dbraw/zinc/60/95/74/739609574.db2.gz CHJKWCLGJNODTQ-NEPJUHHUSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3nnnn3c2)C1 ZINC001025491686 739655307 /nfs/dbraw/zinc/65/53/07/739655307.db2.gz XWFLPKCTBASZOZ-KBPBESRZSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001025559688 739720233 /nfs/dbraw/zinc/72/02/33/739720233.db2.gz VIWLCRTWOISALG-KGLIPLIRSA-N 1 1 341.415 0.795 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)n1 ZINC001059852854 751474335 /nfs/dbraw/zinc/47/43/35/751474335.db2.gz DQDHKDPNFBERTD-XGUBFFRZSA-N 1 1 340.431 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001025595386 739756521 /nfs/dbraw/zinc/75/65/21/739756521.db2.gz NLJLONUDEKHHRC-OLZOCXBDSA-N 1 1 327.388 0.898 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC001006528247 751483620 /nfs/dbraw/zinc/48/36/20/751483620.db2.gz HIUYWKVNNBRXBJ-HIFRSBDPSA-N 1 1 340.427 0.591 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=O)NC1CC1)C2 ZINC000982023629 751487158 /nfs/dbraw/zinc/48/71/58/751487158.db2.gz OUCMOGDQHPFUDI-CVEARBPZSA-N 1 1 347.459 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)NC1CC1)C2 ZINC000982023629 751487162 /nfs/dbraw/zinc/48/71/62/751487162.db2.gz OUCMOGDQHPFUDI-CVEARBPZSA-N 1 1 347.459 0.781 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001025690558 739868818 /nfs/dbraw/zinc/86/88/18/739868818.db2.gz DWEHAYKNHWGVNP-ZIAGYGMSSA-N 1 1 337.464 0.618 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058662938 740024695 /nfs/dbraw/zinc/02/46/95/740024695.db2.gz CYFVVDQHWRGWMO-HUUCEWRRSA-N 1 1 338.452 0.204 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)Cc2cnn(C)c2)CC1 ZINC001098516116 751513076 /nfs/dbraw/zinc/51/30/76/751513076.db2.gz PKVGVASWDIIRBS-INIZCTEOSA-N 1 1 346.475 0.907 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)cn1 ZINC000988090150 751519497 /nfs/dbraw/zinc/51/94/97/751519497.db2.gz FLMLWOOOYYFAHD-KMFMINBZSA-N 1 1 340.427 0.734 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc(C)n2C)[C@@H](n2ccnn2)C1 ZINC001070008218 790311001 /nfs/dbraw/zinc/31/10/01/790311001.db2.gz WRBMYRZVSVIASQ-HIFRSBDPSA-N 1 1 329.408 0.551 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc(C)n2C)[C@@H](n2ccnn2)C1 ZINC001070008218 790311008 /nfs/dbraw/zinc/31/10/08/790311008.db2.gz WRBMYRZVSVIASQ-HIFRSBDPSA-N 1 1 329.408 0.551 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCC)C2)nn1 ZINC001098605263 740246171 /nfs/dbraw/zinc/24/61/71/740246171.db2.gz XFODHIWRRNRGLJ-OAHLLOKOSA-N 1 1 337.424 0.380 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000982042367 751527439 /nfs/dbraw/zinc/52/74/39/751527439.db2.gz LJTFPGRDWHMTKP-NSHDSACASA-N 1 1 340.811 0.261 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000982042367 751527441 /nfs/dbraw/zinc/52/74/41/751527441.db2.gz LJTFPGRDWHMTKP-NSHDSACASA-N 1 1 340.811 0.261 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CCC[N@@H+]([C@H](C)C(=O)NC)C3)nn1 ZINC000982057671 751538073 /nfs/dbraw/zinc/53/80/73/751538073.db2.gz FIFHCPJLJCNICK-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CCC[N@H+]([C@H](C)C(=O)NC)C3)nn1 ZINC000982057671 751538074 /nfs/dbraw/zinc/53/80/74/751538074.db2.gz FIFHCPJLJCNICK-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)cn3)[C@H]2C1 ZINC001083290127 740379180 /nfs/dbraw/zinc/37/91/80/740379180.db2.gz JSHMWFKROHXAFA-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCC(NC(C)=O)CC3)[C@H]2C1 ZINC001083290742 740413128 /nfs/dbraw/zinc/41/31/28/740413128.db2.gz UBISBAKSHZOMTG-SJJHQCBESA-N 1 1 335.448 0.779 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCC(NC(C)=O)CC3)[C@H]2C1 ZINC001083290742 740413129 /nfs/dbraw/zinc/41/31/29/740413129.db2.gz UBISBAKSHZOMTG-SJJHQCBESA-N 1 1 335.448 0.779 20 30 ECEDMO CN(C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccc(C#N)nn1 ZINC001058690646 740480546 /nfs/dbraw/zinc/48/05/46/740480546.db2.gz PVUVFFZWQLVWIW-HUUCEWRRSA-N 1 1 342.447 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000974012746 740767815 /nfs/dbraw/zinc/76/78/15/740767815.db2.gz ULSXEBAVRQPGFV-QROFKTNTSA-N 1 1 329.444 0.894 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000974012746 740767820 /nfs/dbraw/zinc/76/78/20/740767820.db2.gz ULSXEBAVRQPGFV-QROFKTNTSA-N 1 1 329.444 0.894 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974045920 740835344 /nfs/dbraw/zinc/83/53/44/740835344.db2.gz UWFWUPCUISBPLU-BNOWGMLFSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000974048460 740845308 /nfs/dbraw/zinc/84/53/08/740845308.db2.gz FRYQLGXWTHHSMX-MUYACECFSA-N 1 1 329.404 0.461 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000974048458 740845451 /nfs/dbraw/zinc/84/54/51/740845451.db2.gz FRYQLGXWTHHSMX-IKVITTDRSA-N 1 1 329.404 0.461 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc4nnn(C)c43)[C@H]2C1 ZINC001083294290 740968370 /nfs/dbraw/zinc/96/83/70/740968370.db2.gz VEFAPGIDARKTDE-JKSUJKDBSA-N 1 1 339.399 0.517 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nnn(C)n4)[C@H]3C2)C1 ZINC001026356217 741028002 /nfs/dbraw/zinc/02/80/02/741028002.db2.gz OJJBMDLGSGRRBZ-MELADBBJSA-N 1 1 330.436 0.893 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000974185159 741072852 /nfs/dbraw/zinc/07/28/52/741072852.db2.gz FQVRLOWCROFCFW-VDNDLQMASA-N 1 1 340.427 0.780 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cnc(C)nc1 ZINC001038366743 741097000 /nfs/dbraw/zinc/09/70/00/741097000.db2.gz IVLYJZVFDDWQIO-SJORKVTESA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cnc(C)nc1 ZINC001038366743 741097004 /nfs/dbraw/zinc/09/70/04/741097004.db2.gz IVLYJZVFDDWQIO-SJORKVTESA-N 1 1 327.432 0.573 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC000982115776 751608433 /nfs/dbraw/zinc/60/84/33/751608433.db2.gz ATCWNPUJESNZQT-UHFFFAOYSA-N 1 1 342.403 0.532 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C)nc1 ZINC001020440316 751612407 /nfs/dbraw/zinc/61/24/07/751612407.db2.gz OGEFQFIUPYNBEB-JLJPHGGASA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccnnc2C)C1 ZINC000974264924 741196480 /nfs/dbraw/zinc/19/64/80/741196480.db2.gz GPANRGSJXFHBII-LZWOXQAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccnnc2C)C1 ZINC000974264924 741196485 /nfs/dbraw/zinc/19/64/85/741196485.db2.gz GPANRGSJXFHBII-LZWOXQAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC)OC)C2)nn1 ZINC001105182130 741446789 /nfs/dbraw/zinc/44/67/89/741446789.db2.gz YQLXAHDZSMROBT-OAHLLOKOSA-N 1 1 337.424 0.379 20 30 ECEDMO C#CCCCCC(=O)N1CC(n2cc(C[NH2+][C@H](C)COC)nn2)C1 ZINC001105219521 741484177 /nfs/dbraw/zinc/48/41/77/741484177.db2.gz CYQJZPWKYSTJIQ-CQSZACIVSA-N 1 1 333.436 0.980 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OC)ncn3)C2)nn1 ZINC001105240368 741531137 /nfs/dbraw/zinc/53/11/37/741531137.db2.gz KKVTZFADLIOBMA-UHFFFAOYSA-N 1 1 329.364 0.049 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCc4cn[nH]c43)C2)nn1 ZINC001105240484 741531493 /nfs/dbraw/zinc/53/14/93/741531493.db2.gz OZUMRDFRMDJHNM-OAHLLOKOSA-N 1 1 341.419 0.780 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3C3CC3)C2)nn1 ZINC001105249344 741553160 /nfs/dbraw/zinc/55/31/60/741553160.db2.gz QKSJDCNFWZIAJL-UHFFFAOYSA-N 1 1 341.419 0.862 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC000982135349 751648043 /nfs/dbraw/zinc/64/80/43/751648043.db2.gz DOFNBXPTVPYHIO-INIZCTEOSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCNC(=O)C3CC3)C2)nn1 ZINC001105254294 741567532 /nfs/dbraw/zinc/56/75/32/741567532.db2.gz SKZKIVLSKQAIHS-UHFFFAOYSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4ccncc34)C2)nn1 ZINC001105259863 741586555 /nfs/dbraw/zinc/58/65/55/741586555.db2.gz PLLXTXCSCDYOAR-UHFFFAOYSA-N 1 1 338.375 0.294 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264624 741596056 /nfs/dbraw/zinc/59/60/56/741596056.db2.gz NWYSTCKIQUMZDV-OAHLLOKOSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc(C(N)=O)c3)C2)nn1 ZINC001105270796 741615307 /nfs/dbraw/zinc/61/53/07/741615307.db2.gz LFGFDGFVQOBHKQ-UHFFFAOYSA-N 1 1 340.387 0.350 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C ZINC001026618409 741619816 /nfs/dbraw/zinc/61/98/16/741619816.db2.gz DPWGFOYSOAUJMM-OAGGEKHMSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C ZINC001026618409 741619819 /nfs/dbraw/zinc/61/98/19/741619819.db2.gz DPWGFOYSOAUJMM-OAGGEKHMSA-N 1 1 347.459 0.352 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]nc3CCC)C2)nn1 ZINC001105275345 741621235 /nfs/dbraw/zinc/62/12/35/741621235.db2.gz MSCWTDPOFKUNJE-UHFFFAOYSA-N 1 1 329.408 0.926 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC000982153983 751660451 /nfs/dbraw/zinc/66/04/51/751660451.db2.gz NEIPHHPTTRSQTP-ZDUSSCGKSA-N 1 1 327.450 0.179 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 ZINC001105312156 741721407 /nfs/dbraw/zinc/72/14/07/741721407.db2.gz DGMQNZFSYSUBLD-CQSZACIVSA-N 1 1 345.451 0.397 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000982161653 751669577 /nfs/dbraw/zinc/66/95/77/751669577.db2.gz ZVGSGJZWVLWLCS-HNNXBMFYSA-N 1 1 327.432 0.788 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3Cc4ccncc4C3)C2)nn1 ZINC001105326637 741808990 /nfs/dbraw/zinc/80/89/90/741808990.db2.gz ABAVMBMBCIOSDP-AWEZNQCLSA-N 1 1 338.415 0.747 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000982178225 751677112 /nfs/dbraw/zinc/67/71/12/751677112.db2.gz CZWLNHGVWXFCAP-UHFFFAOYSA-N 1 1 326.400 0.742 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000982172160 751680906 /nfs/dbraw/zinc/68/09/06/751680906.db2.gz XASYCRIUXRAMMA-UHFFFAOYSA-N 1 1 326.400 0.742 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C(C)(C)C1 ZINC000974623528 741948776 /nfs/dbraw/zinc/94/87/76/741948776.db2.gz RWWWJDLZXZBTSA-ZDUSSCGKSA-N 1 1 332.452 0.821 20 30 ECEDMO CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000974660867 741967841 /nfs/dbraw/zinc/96/78/41/741967841.db2.gz FFJSRIWLZPZFMW-HOTGVXAUSA-N 1 1 334.464 0.980 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C(C)(C)C1 ZINC000974733668 742123729 /nfs/dbraw/zinc/12/37/29/742123729.db2.gz JNHKPWNAWIWXAK-HNNXBMFYSA-N 1 1 328.416 0.573 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974741694 742140095 /nfs/dbraw/zinc/14/00/95/742140095.db2.gz JKHKFQDRKCFDQH-OLZOCXBDSA-N 1 1 333.436 0.949 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974742178 742140671 /nfs/dbraw/zinc/14/06/71/742140671.db2.gz MPBHDFGHAHUGFQ-CHWSQXEVSA-N 1 1 331.420 0.396 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974841516 742241256 /nfs/dbraw/zinc/24/12/56/742241256.db2.gz MJRBHOWPQSCJCO-AWEZNQCLSA-N 1 1 341.477 0.262 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](C[NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001026991784 742255808 /nfs/dbraw/zinc/25/58/08/742255808.db2.gz AHLBXRNTCQNYNX-LBPRGKRZSA-N 1 1 349.435 0.508 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000974859173 742256583 /nfs/dbraw/zinc/25/65/83/742256583.db2.gz AZWIUUQBWMPPHC-ZIAGYGMSSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000974859173 742256585 /nfs/dbraw/zinc/25/65/85/742256585.db2.gz AZWIUUQBWMPPHC-ZIAGYGMSSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccnn2)[C@H]1C ZINC001020514818 751741877 /nfs/dbraw/zinc/74/18/77/751741877.db2.gz SEENIXQKCNFTGX-DZKIICNBSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccnn2)[C@H]1C ZINC001020514818 751741881 /nfs/dbraw/zinc/74/18/81/751741881.db2.gz SEENIXQKCNFTGX-DZKIICNBSA-N 1 1 341.415 0.293 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3cnsn3)C2)nn1 ZINC001027110806 742597358 /nfs/dbraw/zinc/59/73/58/742597358.db2.gz RSPNTKAMAIDGSQ-NSHDSACASA-N 1 1 333.421 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ncc[nH]2)[C@H]1C ZINC001020521783 751755849 /nfs/dbraw/zinc/75/58/49/751755849.db2.gz YGTKLTUUUSUODO-KKUMJFAQSA-N 1 1 343.431 0.155 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ncc[nH]2)[C@H]1C ZINC001020521783 751755854 /nfs/dbraw/zinc/75/58/54/751755854.db2.gz YGTKLTUUUSUODO-KKUMJFAQSA-N 1 1 343.431 0.155 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC000975362163 742753367 /nfs/dbraw/zinc/75/33/67/742753367.db2.gz RXGNMCJBUWRGNY-GJZGRUSLSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC000975362163 742753373 /nfs/dbraw/zinc/75/33/73/742753373.db2.gz RXGNMCJBUWRGNY-GJZGRUSLSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CCN1CC[NH+](C2CCC(NC(=O)Cc3cnc[nH]3)CC2)CC1 ZINC000996789416 742868753 /nfs/dbraw/zinc/86/87/53/742868753.db2.gz NBRZRXZWBWVMNE-UHFFFAOYSA-N 1 1 329.448 0.630 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)nc1 ZINC001028936386 742918461 /nfs/dbraw/zinc/91/84/61/742918461.db2.gz WKDIZXWIPFPLIN-HNNXBMFYSA-N 1 1 341.415 0.140 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1 ZINC000982257383 751779794 /nfs/dbraw/zinc/77/97/94/751779794.db2.gz KDAAAOMKXVJSAP-MZPVMMEZSA-N 1 1 329.404 0.544 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1 ZINC000982258632 751785256 /nfs/dbraw/zinc/78/52/56/751785256.db2.gz MAFFILAXIHWGNS-OLMNPRSZSA-N 1 1 343.431 0.934 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1cc(-c2ccccc2)on1 ZINC001125998623 743179056 /nfs/dbraw/zinc/17/90/56/743179056.db2.gz RNQALTICQAJKAU-UHFFFAOYSA-N 1 1 340.383 0.687 20 30 ECEDMO Cc1nnc(CNC(N[C@@H]2C[C@H](C)N(C3CC3)C2)=[NH+]C2CC2)n1C ZINC000261967796 743195982 /nfs/dbraw/zinc/19/59/82/743195982.db2.gz LVYCDXISDGRZNR-SMDDNHRTSA-N 1 1 331.468 0.946 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000997086836 743214422 /nfs/dbraw/zinc/21/44/22/743214422.db2.gz BDMLEXWYINUZDE-CQSZACIVSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC([C@@H](C)NC(=O)c3cnn[nH]3)CC2)C1=O ZINC000997200980 743345882 /nfs/dbraw/zinc/34/58/82/743345882.db2.gz OUKZWTKMFSBVEY-IUODEOHRSA-N 1 1 346.435 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1ccon1 ZINC000975854288 743355712 /nfs/dbraw/zinc/35/57/12/743355712.db2.gz QJABDRGUSIPPND-ZBFHGGJFSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1ccon1 ZINC000975854288 743355721 /nfs/dbraw/zinc/35/57/21/743355721.db2.gz QJABDRGUSIPPND-ZBFHGGJFSA-N 1 1 344.415 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)C3=COCCO3)C2)C1=O ZINC001027282985 743438085 /nfs/dbraw/zinc/43/80/85/743438085.db2.gz DJUQOQUDRBMHQR-CABCVRRESA-N 1 1 349.431 0.584 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OCC=C)C2)nn1 ZINC001105381086 743438166 /nfs/dbraw/zinc/43/81/66/743438166.db2.gz MWNKBWWEXRLNJY-CQSZACIVSA-N 1 1 349.435 0.545 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)C2)nn1 ZINC001105381410 743459521 /nfs/dbraw/zinc/45/95/21/743459521.db2.gz ZOZJSCGYAAIEBZ-CJNGLKHVSA-N 1 1 349.435 0.521 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1 ZINC000997333676 743500509 /nfs/dbraw/zinc/50/05/09/743500509.db2.gz CMWAKENQRBKWBG-AWEZNQCLSA-N 1 1 325.412 0.950 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)CC1 ZINC000997362900 743534332 /nfs/dbraw/zinc/53/43/32/743534332.db2.gz DQWRVQBYATUVAS-INIZCTEOSA-N 1 1 333.476 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1 ZINC000976086580 743536721 /nfs/dbraw/zinc/53/67/21/743536721.db2.gz BIYTUAXISGRXHJ-XWTMOSNGSA-N 1 1 337.423 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1 ZINC000976086580 743536725 /nfs/dbraw/zinc/53/67/25/743536725.db2.gz BIYTUAXISGRXHJ-XWTMOSNGSA-N 1 1 337.423 0.971 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001059170586 743542193 /nfs/dbraw/zinc/54/21/93/743542193.db2.gz HHSKZDCKCKIXQC-YRGRVCCFSA-N 1 1 344.419 0.300 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001059170586 743542200 /nfs/dbraw/zinc/54/22/00/743542200.db2.gz HHSKZDCKCKIXQC-YRGRVCCFSA-N 1 1 344.419 0.300 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001027329724 743759903 /nfs/dbraw/zinc/75/99/03/743759903.db2.gz BLEQHHHVASQCHG-OLZOCXBDSA-N 1 1 349.435 0.399 20 30 ECEDMO C#CCCCC(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC001126339178 751868056 /nfs/dbraw/zinc/86/80/56/751868056.db2.gz RXLUQAKPLOGQBG-UHFFFAOYSA-N 1 1 326.400 0.943 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)C2CS(=O)(=O)C2)CC1 ZINC000998019896 743932705 /nfs/dbraw/zinc/93/27/05/743932705.db2.gz RZYZPNGRNQTGGF-OAHLLOKOSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CS(=O)(=O)C2)CC1 ZINC000998019896 743932710 /nfs/dbraw/zinc/93/27/10/743932710.db2.gz RZYZPNGRNQTGGF-OAHLLOKOSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000998115848 743985815 /nfs/dbraw/zinc/98/58/15/743985815.db2.gz KQRHSSLEJAJNBW-HRCADAONSA-N 1 1 335.448 0.746 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC000998141724 744001515 /nfs/dbraw/zinc/00/15/15/744001515.db2.gz YJHKVNYWAQGZDW-HOTGVXAUSA-N 1 1 344.463 0.962 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000976586355 744109763 /nfs/dbraw/zinc/10/97/63/744109763.db2.gz OITBKJWXIZPPEV-PFHJDOJBSA-N 1 1 347.459 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2nc(C)oc2C)C1 ZINC000998343973 744124337 /nfs/dbraw/zinc/12/43/37/744124337.db2.gz ICXPJNDLFLEBTH-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2nc(C)oc2C)C1 ZINC000998343973 744124340 /nfs/dbraw/zinc/12/43/40/744124340.db2.gz ICXPJNDLFLEBTH-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000976604008 744128576 /nfs/dbraw/zinc/12/85/76/744128576.db2.gz GOYSENHWMRXXLS-WPECMILSSA-N 1 1 349.475 0.882 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000976604008 744128580 /nfs/dbraw/zinc/12/85/80/744128580.db2.gz GOYSENHWMRXXLS-WPECMILSSA-N 1 1 349.475 0.882 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000976604002 744128669 /nfs/dbraw/zinc/12/86/69/744128669.db2.gz GOYSENHWMRXXLS-NTODXPRQSA-N 1 1 349.475 0.882 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000976604002 744128671 /nfs/dbraw/zinc/12/86/71/744128671.db2.gz GOYSENHWMRXXLS-NTODXPRQSA-N 1 1 349.475 0.882 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000976656979 744171486 /nfs/dbraw/zinc/17/14/86/744171486.db2.gz FIYRTDZYLJRJEF-UIBIWLFHSA-N 1 1 329.444 0.847 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]32)C1 ZINC000976670370 744203325 /nfs/dbraw/zinc/20/33/25/744203325.db2.gz KBQVEUTXTLGHQD-ZVDSWSACSA-N 1 1 332.448 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(OC)C1 ZINC000976691472 744206591 /nfs/dbraw/zinc/20/65/91/744206591.db2.gz HMSYXPOQTOXIDF-RMGMUHOQSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(OC)C1 ZINC000976691472 744206593 /nfs/dbraw/zinc/20/65/93/744206593.db2.gz HMSYXPOQTOXIDF-RMGMUHOQSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001027409628 744210573 /nfs/dbraw/zinc/21/05/73/744210573.db2.gz MLESWDUXRJYKLX-ZIAGYGMSSA-N 1 1 329.404 0.319 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000998579824 744241285 /nfs/dbraw/zinc/24/12/85/744241285.db2.gz ZIQXBFVCPFWHDE-YMAMQOFZSA-N 1 1 331.420 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](F)C(C)C)C[C@H]21 ZINC000976736629 744261940 /nfs/dbraw/zinc/26/19/40/744261940.db2.gz QCTIOSKQOQANII-XFIYOXNOSA-N 1 1 335.423 0.651 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](F)C(C)C)C[C@H]21 ZINC000976736629 744261943 /nfs/dbraw/zinc/26/19/43/744261943.db2.gz QCTIOSKQOQANII-XFIYOXNOSA-N 1 1 335.423 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC34CC4)C[C@H]21 ZINC000976737322 744263311 /nfs/dbraw/zinc/26/33/11/744263311.db2.gz UASWZHPIRYDEAY-LEOABGAYSA-N 1 1 327.428 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC34CC4)C[C@H]21 ZINC000976737322 744263316 /nfs/dbraw/zinc/26/33/16/744263316.db2.gz UASWZHPIRYDEAY-LEOABGAYSA-N 1 1 327.428 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccoc3C)C[C@H]21 ZINC000976739024 744265088 /nfs/dbraw/zinc/26/50/88/744265088.db2.gz GZOQFDBZQFOHEQ-VVLHAWIVSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccoc3C)C[C@H]21 ZINC000976739024 744265090 /nfs/dbraw/zinc/26/50/90/744265090.db2.gz GZOQFDBZQFOHEQ-VVLHAWIVSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCCO3)C[C@H]21 ZINC000976742638 744278525 /nfs/dbraw/zinc/27/85/25/744278525.db2.gz UYKUGDVTTRUAHL-BQJWPVKWSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCCO3)C[C@H]21 ZINC000976742638 744278528 /nfs/dbraw/zinc/27/85/28/744278528.db2.gz UYKUGDVTTRUAHL-BQJWPVKWSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(=O)NC)C[C@]2(C)C1 ZINC000982298328 751907585 /nfs/dbraw/zinc/90/75/85/751907585.db2.gz AESUAQBOAKQJIK-ZYSHUDEJSA-N 1 1 346.475 0.000 20 30 ECEDMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nncn1C ZINC000998969628 744439719 /nfs/dbraw/zinc/43/97/19/744439719.db2.gz MYQWJUNJNQKUAQ-WCQYABFASA-N 1 1 327.392 0.970 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000999290089 744603308 /nfs/dbraw/zinc/60/33/08/744603308.db2.gz HFMPQBYNORTOMH-GJZGRUSLSA-N 1 1 333.432 0.533 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]31)C2 ZINC000977204686 744762911 /nfs/dbraw/zinc/76/29/11/744762911.db2.gz OYMGDADLEAWTSD-VPOTXYKHSA-N 1 1 341.415 0.487 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000977206335 744766783 /nfs/dbraw/zinc/76/67/83/744766783.db2.gz CZFLRHRNVUXBOV-UDOHHAEJSA-N 1 1 347.459 0.492 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000977209061 744781504 /nfs/dbraw/zinc/78/15/04/744781504.db2.gz OTSYSMGRIGXNNY-UYLCMAPUSA-N 1 1 341.415 0.271 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+](CCn3cncn3)CC2(C)C)nn1 ZINC000977270486 744825961 /nfs/dbraw/zinc/82/59/61/744825961.db2.gz BPQOTSHXQICVSX-AWEZNQCLSA-N 1 1 344.423 0.196 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)nn1 ZINC000977271575 744826597 /nfs/dbraw/zinc/82/65/97/744826597.db2.gz GSMCTTUHQRZSPY-JSGCOSHPSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)nn1 ZINC000977271575 744826599 /nfs/dbraw/zinc/82/65/99/744826599.db2.gz GSMCTTUHQRZSPY-JSGCOSHPSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@@H+]([C@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977276318 744830506 /nfs/dbraw/zinc/83/05/06/744830506.db2.gz YNEZBUGDAWUAAB-OLZOCXBDSA-N 1 1 334.424 0.168 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+]([C@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977276318 744830507 /nfs/dbraw/zinc/83/05/07/744830507.db2.gz YNEZBUGDAWUAAB-OLZOCXBDSA-N 1 1 334.424 0.168 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000977304924 744849290 /nfs/dbraw/zinc/84/92/90/744849290.db2.gz RBNSDXDJBMPAOV-CQSZACIVSA-N 1 1 348.451 0.582 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cccnn3)C(C)(C)C2)C1=O ZINC000977387543 744908965 /nfs/dbraw/zinc/90/89/65/744908965.db2.gz GVLQAMBTUOUUKQ-CABCVRRESA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cccnn3)C(C)(C)C2)C1=O ZINC000977387543 744908966 /nfs/dbraw/zinc/90/89/66/744908966.db2.gz GVLQAMBTUOUUKQ-CABCVRRESA-N 1 1 343.431 0.704 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001027514157 744914870 /nfs/dbraw/zinc/91/48/70/744914870.db2.gz DDVRTPRTSCNWQF-CYBMUJFWSA-N 1 1 344.423 0.806 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ncccn3)C(C)(C)C2)C1=O ZINC000977393206 744921147 /nfs/dbraw/zinc/92/11/47/744921147.db2.gz TWWDTAMJOZKGKJ-UONOGXRCSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ncccn3)C(C)(C)C2)C1=O ZINC000977393206 744921150 /nfs/dbraw/zinc/92/11/50/744921150.db2.gz TWWDTAMJOZKGKJ-UONOGXRCSA-N 1 1 343.431 0.704 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999853839 744947424 /nfs/dbraw/zinc/94/74/24/744947424.db2.gz WCIGTSBSYDDMMY-KMFMINBZSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nccnc3N)nn2)C1 ZINC000999960705 745102734 /nfs/dbraw/zinc/10/27/34/745102734.db2.gz FJXQGMKBUZRGSY-CYBMUJFWSA-N 1 1 342.407 0.403 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC2(C)C)cn1 ZINC000977510070 745128175 /nfs/dbraw/zinc/12/81/75/745128175.db2.gz GSTLBRPIIILKIW-HOTGVXAUSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC2(C)C)cn1 ZINC000977510070 745128178 /nfs/dbraw/zinc/12/81/78/745128178.db2.gz GSTLBRPIIILKIW-HOTGVXAUSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnn3C(C)C)nn2)C1 ZINC000999985410 745138711 /nfs/dbraw/zinc/13/87/11/745138711.db2.gz BWXSILLVEMSHSH-HNNXBMFYSA-N 1 1 341.419 0.866 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CC(OCC)C3)nn2)C1 ZINC000999986442 745140299 /nfs/dbraw/zinc/14/02/99/745140299.db2.gz SMTXYTLGPXTGQH-ARWYELJZSA-N 1 1 345.447 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)nc3CC)nn2)C1 ZINC000999990312 745147233 /nfs/dbraw/zinc/14/72/33/745147233.db2.gz HYYAIHIDURCTDU-AWEZNQCLSA-N 1 1 341.419 0.384 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nn(C)cc3C)nn2)C1 ZINC000999993976 745153016 /nfs/dbraw/zinc/15/30/16/745153016.db2.gz YBBQWDVESBCEOE-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCN(C)C(=O)C3)nn2)C1 ZINC000999995143 745153859 /nfs/dbraw/zinc/15/38/59/745153859.db2.gz DHBPIKIWOZPVEK-ZFWWWQNUSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@]34C[C@H]3COC4)nn2)C1 ZINC000999994596 745153928 /nfs/dbraw/zinc/15/39/28/745153928.db2.gz ZAFOHTQPMSADSI-QRTARXTBSA-N 1 1 331.420 0.754 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(OCC)n[nH]3)nn2)C1 ZINC000999997443 745157447 /nfs/dbraw/zinc/15/74/47/745157447.db2.gz MFRPAWNAPQXHLI-ZDUSSCGKSA-N 1 1 345.407 0.763 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCNC(=O)CC3)nn2)C1 ZINC000999998928 745160321 /nfs/dbraw/zinc/16/03/21/745160321.db2.gz ACNSEEYINHFVCD-UKRRQHHQSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)nc3OC)nn2)C1 ZINC000999999877 745161637 /nfs/dbraw/zinc/16/16/37/745161637.db2.gz GNVXWENCLPBHAO-CYBMUJFWSA-N 1 1 345.407 0.383 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3csnn3)nn2)C1 ZINC001000001442 745164385 /nfs/dbraw/zinc/16/43/85/745164385.db2.gz MUZRMUKUYVFPJX-GFCCVEGCSA-N 1 1 331.405 0.330 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)nn2)C1 ZINC001000001414 745164469 /nfs/dbraw/zinc/16/44/69/745164469.db2.gz MJDOMOFKKBUPEX-QSPRXWTASA-N 1 1 343.431 0.589 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 ZINC001000029419 745203191 /nfs/dbraw/zinc/20/31/91/745203191.db2.gz NSIGQFXWCKVZMP-CYBMUJFWSA-N 1 1 330.396 0.160 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(CC)n3)nn2)C1 ZINC001000030708 745205392 /nfs/dbraw/zinc/20/53/92/745205392.db2.gz KYKGSLIUEWJRQR-CQSZACIVSA-N 1 1 327.392 0.305 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C)[nH]c3=O)nn2)C1 ZINC001000032435 745206896 /nfs/dbraw/zinc/20/68/96/745206896.db2.gz RDMYEROSSFZQIG-CQSZACIVSA-N 1 1 340.387 0.497 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(CC)n3)nn2)C1 ZINC001000033309 745207506 /nfs/dbraw/zinc/20/75/06/745207506.db2.gz RTFAAUVYEBAVBW-HNNXBMFYSA-N 1 1 341.419 0.695 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnc(C)n3)nn2)C1 ZINC001000041592 745221442 /nfs/dbraw/zinc/22/14/42/745221442.db2.gz GNBCVKXORGSJAK-CQSZACIVSA-N 1 1 327.392 0.739 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@H+]3CC)nn2)C1 ZINC001000044559 745225133 /nfs/dbraw/zinc/22/51/33/745225133.db2.gz WOGOAZRFGSOLGZ-IAGOWNOFSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3CC)nn2)C1 ZINC001000044559 745225136 /nfs/dbraw/zinc/22/51/36/745225136.db2.gz WOGOAZRFGSOLGZ-IAGOWNOFSA-N 1 1 344.463 0.649 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000977584714 745243716 /nfs/dbraw/zinc/24/37/16/745243716.db2.gz MQMDDHHZCCLODN-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087497390 745257327 /nfs/dbraw/zinc/25/73/27/745257327.db2.gz MBUINXPAFMZWSY-JKSUJKDBSA-N 1 1 339.403 0.714 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC(C)C)C(N)=O)C2)nn1 ZINC001105385287 745265944 /nfs/dbraw/zinc/26/59/44/745265944.db2.gz XBZSSNRPQKVSDU-HNNXBMFYSA-N 1 1 348.451 0.475 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@H](OC)C1 ZINC001213145371 751996743 /nfs/dbraw/zinc/99/67/43/751996743.db2.gz OPWSXPAZCOPNEK-ZIAGYGMSSA-N 1 1 338.408 0.060 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@H](OC)C1 ZINC001213145371 751996744 /nfs/dbraw/zinc/99/67/44/751996744.db2.gz OPWSXPAZCOPNEK-ZIAGYGMSSA-N 1 1 338.408 0.060 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027551064 745389414 /nfs/dbraw/zinc/38/94/14/745389414.db2.gz HRVIHULQHNUCRF-RISCZKNCSA-N 1 1 347.444 0.724 20 30 ECEDMO CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 ZINC001105387410 745429927 /nfs/dbraw/zinc/42/99/27/745429927.db2.gz VEAPGHHFGHWXMU-INIZCTEOSA-N 1 1 332.448 0.771 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3cnccn3)CC2)C1=O ZINC001000392390 745471379 /nfs/dbraw/zinc/47/13/79/745471379.db2.gz QMCLKJIELNYAPY-MRXNPFEDSA-N 1 1 341.415 0.625 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]2O)[nH]1 ZINC001083413653 745487466 /nfs/dbraw/zinc/48/74/66/745487466.db2.gz YODJLRHXDPBWEC-SJORKVTESA-N 1 1 340.383 0.740 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]2O)[nH]1 ZINC001083413653 745487471 /nfs/dbraw/zinc/48/74/71/745487471.db2.gz YODJLRHXDPBWEC-SJORKVTESA-N 1 1 340.383 0.740 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccn[nH]4)[C@@H]3C2)C1=O ZINC000977848440 745560371 /nfs/dbraw/zinc/56/03/71/745560371.db2.gz NTRDXVGZYSOVOS-GUIRCDHDSA-N 1 1 329.404 0.104 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@H+]([C@@H]3CCCNC3=O)CC2)c1 ZINC001000565265 745600641 /nfs/dbraw/zinc/60/06/41/745600641.db2.gz XXCCIGDUBGJTPD-OAHLLOKOSA-N 1 1 327.388 0.527 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C)n[nH]4)[C@@H]3C2)C1=O ZINC000977888040 745613851 /nfs/dbraw/zinc/61/38/51/745613851.db2.gz NBIBXLJKXKLMSE-AYDFFVQHSA-N 1 1 343.431 0.413 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1n[nH]cc1F ZINC000977917531 745644633 /nfs/dbraw/zinc/64/46/33/745644633.db2.gz HUENDKNCWOBXPS-JSGCOSHPSA-N 1 1 347.394 0.319 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1n[nH]cc1F ZINC000977917531 745644636 /nfs/dbraw/zinc/64/46/36/745644636.db2.gz HUENDKNCWOBXPS-JSGCOSHPSA-N 1 1 347.394 0.319 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1oncc1C ZINC000977917882 745644644 /nfs/dbraw/zinc/64/46/44/745644644.db2.gz KFSUPIQOOLXPMD-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1oncc1C ZINC000977917882 745644646 /nfs/dbraw/zinc/64/46/46/745644646.db2.gz KFSUPIQOOLXPMD-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1conc1C ZINC000977921831 745651508 /nfs/dbraw/zinc/65/15/08/745651508.db2.gz VAVLAMNWUDWUAD-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1conc1C ZINC000977921831 745651511 /nfs/dbraw/zinc/65/15/11/745651511.db2.gz VAVLAMNWUDWUAD-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cccnc1 ZINC000977926175 745679857 /nfs/dbraw/zinc/67/98/57/745679857.db2.gz JHAQMOWTWBWLDG-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cccnc1 ZINC000977926175 745679862 /nfs/dbraw/zinc/67/98/62/745679862.db2.gz JHAQMOWTWBWLDG-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1cccn1 ZINC000977927256 745681825 /nfs/dbraw/zinc/68/18/25/745681825.db2.gz LNUBZUDZJYZQTJ-HOTGVXAUSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1cccn1 ZINC000977927256 745681831 /nfs/dbraw/zinc/68/18/31/745681831.db2.gz LNUBZUDZJYZQTJ-HOTGVXAUSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cn[nH]c1 ZINC000977930272 745686853 /nfs/dbraw/zinc/68/68/53/745686853.db2.gz RLUNOAWUMSBMTO-CABCVRRESA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cn[nH]c1 ZINC000977930272 745686857 /nfs/dbraw/zinc/68/68/57/745686857.db2.gz RLUNOAWUMSBMTO-CABCVRRESA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccncc1 ZINC000977933469 745691022 /nfs/dbraw/zinc/69/10/22/745691022.db2.gz ZMNRQPUMPCGWKP-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccncc1 ZINC000977933469 745691024 /nfs/dbraw/zinc/69/10/24/745691024.db2.gz ZMNRQPUMPCGWKP-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccccc2)C1 ZINC001000699015 745708112 /nfs/dbraw/zinc/70/81/12/745708112.db2.gz QKYYNTFUZMCYOF-KRWDZBQOSA-N 1 1 325.412 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccccc2)C1 ZINC001000699015 745708116 /nfs/dbraw/zinc/70/81/16/745708116.db2.gz QKYYNTFUZMCYOF-KRWDZBQOSA-N 1 1 325.412 0.972 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001000774114 745756546 /nfs/dbraw/zinc/75/65/46/745756546.db2.gz OVAVRKAVMIHGGR-MRXNPFEDSA-N 1 1 328.416 0.925 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001000774114 745756550 /nfs/dbraw/zinc/75/65/50/745756550.db2.gz OVAVRKAVMIHGGR-MRXNPFEDSA-N 1 1 328.416 0.925 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCNC2=O)nc1 ZINC001028271230 752032390 /nfs/dbraw/zinc/03/23/90/752032390.db2.gz CFHXFVWVIKOOFG-HNNXBMFYSA-N 1 1 341.415 0.282 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(F)c[nH]1 ZINC000978023640 745788722 /nfs/dbraw/zinc/78/87/22/745788722.db2.gz IJTNGYMSIYGXBR-HOCLYGCPSA-N 1 1 346.406 0.924 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(F)c[nH]1 ZINC000978023640 745788724 /nfs/dbraw/zinc/78/87/24/745788724.db2.gz IJTNGYMSIYGXBR-HOCLYGCPSA-N 1 1 346.406 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000982355279 752032863 /nfs/dbraw/zinc/03/28/63/752032863.db2.gz HTSVBVXUUOGDBM-WBVHZDCISA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000982355279 752032865 /nfs/dbraw/zinc/03/28/65/752032865.db2.gz HTSVBVXUUOGDBM-WBVHZDCISA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)on2)C1 ZINC001000822595 745800209 /nfs/dbraw/zinc/80/02/09/745800209.db2.gz VKIXREFRSYGYNP-HNNXBMFYSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)on2)C1 ZINC001000822595 745800215 /nfs/dbraw/zinc/80/02/15/745800215.db2.gz VKIXREFRSYGYNP-HNNXBMFYSA-N 1 1 330.388 0.269 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)N(C)C)nc1 ZINC001028271456 752035519 /nfs/dbraw/zinc/03/55/19/752035519.db2.gz GTKTWQZWYSOGHX-ZFWWWQNUSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(C)C)nc1 ZINC001028271456 752035528 /nfs/dbraw/zinc/03/55/28/752035528.db2.gz GTKTWQZWYSOGHX-ZFWWWQNUSA-N 1 1 328.416 0.734 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2nc(OC)cc(OC)n2)CC1 ZINC001000848706 745824292 /nfs/dbraw/zinc/82/42/92/745824292.db2.gz RXVZGOZKWLBDDD-UHFFFAOYSA-N 1 1 330.388 0.879 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001000904921 745884372 /nfs/dbraw/zinc/88/43/72/745884372.db2.gz XVOPBWZUUZWWDF-UHFFFAOYSA-N 1 1 339.417 0.865 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cncnc3)[C@@H](O)C2)c1 ZINC001083432822 752045537 /nfs/dbraw/zinc/04/55/37/752045537.db2.gz GVPWTSIALQIJDU-SJORKVTESA-N 1 1 337.383 0.252 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)Cc3cncnc3)[C@@H](O)C2)c1 ZINC001083432822 752045547 /nfs/dbraw/zinc/04/55/47/752045547.db2.gz GVPWTSIALQIJDU-SJORKVTESA-N 1 1 337.383 0.252 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)nn1 ZINC001098703075 745937576 /nfs/dbraw/zinc/93/75/76/745937576.db2.gz IYQFJJBMXSCXNA-CABCVRRESA-N 1 1 346.435 0.338 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC001000984576 745951873 /nfs/dbraw/zinc/95/18/73/745951873.db2.gz HSPRPRIDNZBIBU-MSOLQXFVSA-N 1 1 349.475 0.801 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC000978132217 745973866 /nfs/dbraw/zinc/97/38/66/745973866.db2.gz QDQCTKQPQAVTQH-MIGQKNRLSA-N 1 1 343.431 0.633 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ncccc1C#N ZINC001126537496 745981371 /nfs/dbraw/zinc/98/13/71/745981371.db2.gz ATTSXOZIBDGEJJ-GDBMZVCRSA-N 1 1 345.447 0.862 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCN(C)C2=O)nc1 ZINC001028272926 752050776 /nfs/dbraw/zinc/05/07/76/752050776.db2.gz XSIRTSMNIAWKBM-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCN(C)C2=O)nc1 ZINC001028272926 752050787 /nfs/dbraw/zinc/05/07/87/752050787.db2.gz XSIRTSMNIAWKBM-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@H]3CCNC3=O)CC2)cc1 ZINC001001040800 746003347 /nfs/dbraw/zinc/00/33/47/746003347.db2.gz QBIBXZDOKZGQGB-KRWDZBQOSA-N 1 1 338.411 0.943 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC=C(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001001041708 746004952 /nfs/dbraw/zinc/00/49/52/746004952.db2.gz XKQZHEKKRJHBLL-KRWDZBQOSA-N 1 1 338.411 0.943 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC=C(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001001041708 746004954 /nfs/dbraw/zinc/00/49/54/746004954.db2.gz XKQZHEKKRJHBLL-KRWDZBQOSA-N 1 1 338.411 0.943 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(=O)C(C)(C)C)[C@@H]2C1 ZINC000978198604 746025484 /nfs/dbraw/zinc/02/54/84/746025484.db2.gz QITCNKPZYQRWPT-LVQVYYBASA-N 1 1 331.460 0.951 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H]1CC ZINC001087573218 746076102 /nfs/dbraw/zinc/07/61/02/746076102.db2.gz YRHBJMMAYPEFMG-UONOGXRCSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)cc1 ZINC001027603930 746108685 /nfs/dbraw/zinc/10/86/85/746108685.db2.gz AQUNNGUHTGHZPO-HNNXBMFYSA-N 1 1 329.400 0.720 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)cc1 ZINC001027603930 746108688 /nfs/dbraw/zinc/10/86/88/746108688.db2.gz AQUNNGUHTGHZPO-HNNXBMFYSA-N 1 1 329.400 0.720 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)[C@@H]1CC ZINC001087607275 746115721 /nfs/dbraw/zinc/11/57/21/746115721.db2.gz VJBPMPQBMKBSPC-BBWFWOEESA-N 1 1 344.463 0.382 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)[C@@H]1CC ZINC001087607275 746115723 /nfs/dbraw/zinc/11/57/23/746115723.db2.gz VJBPMPQBMKBSPC-BBWFWOEESA-N 1 1 344.463 0.382 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)[C@@H]2C1 ZINC000978268930 746117611 /nfs/dbraw/zinc/11/76/11/746117611.db2.gz LOJGODAXKVPOAK-VQHPVUNQSA-N 1 1 331.460 0.808 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCN(C)C2=O)CC1 ZINC001001170942 746133549 /nfs/dbraw/zinc/13/35/49/746133549.db2.gz GAHKUTZVMFFNCI-PMPSAXMXSA-N 1 1 333.432 0.557 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ocnc3C)C[C@H]21 ZINC000978277079 746138088 /nfs/dbraw/zinc/13/80/88/746138088.db2.gz ACFZLGONTOBOCC-NXOAAHMSSA-N 1 1 342.443 0.875 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3c3ccnn3CC)[C@@H]2C1 ZINC000978284843 746148686 /nfs/dbraw/zinc/14/86/86/746148686.db2.gz TWWDANBCVRQROF-MAPUTHEBSA-N 1 1 342.443 0.908 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC(N)=O)[C@H]1CC ZINC001087648754 746149587 /nfs/dbraw/zinc/14/95/87/746149587.db2.gz BFUMWIPMAAMUKO-LSDHHAIUSA-N 1 1 329.400 0.767 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1CC ZINC001087649616 746152549 /nfs/dbraw/zinc/15/25/49/746152549.db2.gz WDCUJFLHNLHBCP-DZGCQCFKSA-N 1 1 334.420 0.658 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc4ncc(C)cn4n3)[C@@H]2C1 ZINC000978311015 746159203 /nfs/dbraw/zinc/15/92/03/746159203.db2.gz NBDMMMFDLYWEAT-ZSOGYDGISA-N 1 1 326.404 0.916 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3c3ncccn3)[C@@H]2C1 ZINC000978292877 746163158 /nfs/dbraw/zinc/16/31/58/746163158.db2.gz NPYCKPVKIPRLTC-NXOAAHMSSA-N 1 1 339.443 0.763 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1CC ZINC001087671151 746168695 /nfs/dbraw/zinc/16/86/95/746168695.db2.gz QMWUROZOQSBHIY-DZGCQCFKSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)[C@H]1CC ZINC001087672917 746169614 /nfs/dbraw/zinc/16/96/14/746169614.db2.gz NXXGHUXADFVUSJ-RRFJBIMHSA-N 1 1 343.418 0.945 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001001217950 746171686 /nfs/dbraw/zinc/17/16/86/746171686.db2.gz HPSFLLUIBSAYIX-HNNXBMFYSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211945102 752066798 /nfs/dbraw/zinc/06/67/98/752066798.db2.gz TXLKQWGQHAQMFV-ZIAGYGMSSA-N 1 1 327.425 0.904 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4c(n3)C[C@@H](OC)CC4)[C@@H]2C1 ZINC000978329018 746186187 /nfs/dbraw/zinc/18/61/87/746186187.db2.gz BUDMNVRVATYWCL-ZQDZILKHSA-N 1 1 330.432 0.938 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001027611434 746227656 /nfs/dbraw/zinc/22/76/56/746227656.db2.gz VXDQEQKYQSNCDQ-AWEZNQCLSA-N 1 1 334.424 0.288 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001001295044 746252986 /nfs/dbraw/zinc/25/29/86/746252986.db2.gz DMSMXJRFKLQHJN-QGZVFWFLSA-N 1 1 341.411 0.187 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001001295044 746252988 /nfs/dbraw/zinc/25/29/88/746252988.db2.gz DMSMXJRFKLQHJN-QGZVFWFLSA-N 1 1 341.411 0.187 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@H]1CC ZINC001087734279 746260475 /nfs/dbraw/zinc/26/04/75/746260475.db2.gz VGALFSAVUIFTJD-SOUVJXGZSA-N 1 1 330.436 0.618 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027619188 746288590 /nfs/dbraw/zinc/28/85/90/746288590.db2.gz XLQMZHGWXMGKCS-LLVKDONJSA-N 1 1 328.800 0.214 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027619188 746288594 /nfs/dbraw/zinc/28/85/94/746288594.db2.gz XLQMZHGWXMGKCS-LLVKDONJSA-N 1 1 328.800 0.214 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001001340139 746289988 /nfs/dbraw/zinc/28/99/88/746289988.db2.gz FLSWQWQFTCAPEW-LBPRGKRZSA-N 1 1 329.404 0.416 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087757698 746291287 /nfs/dbraw/zinc/29/12/87/746291287.db2.gz HNKUHBYFBXVFAO-BFHYXJOUSA-N 1 1 329.466 0.566 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2cnon2)C1 ZINC000984353718 746324508 /nfs/dbraw/zinc/32/45/08/746324508.db2.gz YQKDWLAUYPERER-ZFWWWQNUSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2cnon2)C1 ZINC000984353718 746324511 /nfs/dbraw/zinc/32/45/11/746324511.db2.gz YQKDWLAUYPERER-ZFWWWQNUSA-N 1 1 345.403 0.230 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1 ZINC000978425720 746326274 /nfs/dbraw/zinc/32/62/74/746326274.db2.gz JDERGRXMLWGFAQ-OSYLJGHBSA-N 1 1 345.443 0.978 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnccn2)C1 ZINC000978536813 746399719 /nfs/dbraw/zinc/39/97/19/746399719.db2.gz WOVKHVVTNYAACF-LZWOXQAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnccn2)C1 ZINC000978536813 746399725 /nfs/dbraw/zinc/39/97/25/746399725.db2.gz WOVKHVVTNYAACF-LZWOXQAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cncn4)nc3)[C@@H]2C1 ZINC000978543946 746428853 /nfs/dbraw/zinc/42/88/53/746428853.db2.gz XHYSNQYSMUTDAW-PHZGNYQRSA-N 1 1 336.399 0.593 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnco4)[C@@H]3C2)C1=O ZINC000978574784 746452968 /nfs/dbraw/zinc/45/29/68/746452968.db2.gz WXWVFVDFWZYWRX-FQUUOJAGSA-N 1 1 330.388 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC000978577836 746456182 /nfs/dbraw/zinc/45/61/82/746456182.db2.gz RDDUAAKYEANWIV-LZWOXQAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC000978577836 746456185 /nfs/dbraw/zinc/45/61/85/746456185.db2.gz RDDUAAKYEANWIV-LZWOXQAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001027641076 746467287 /nfs/dbraw/zinc/46/72/87/746467287.db2.gz HAFFYGQSNSLDEQ-AWEZNQCLSA-N 1 1 333.436 0.490 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1ccnc(C)n1 ZINC001126555686 746514612 /nfs/dbraw/zinc/51/46/12/746514612.db2.gz PBPJBBUYONLIEH-INIZCTEOSA-N 1 1 345.447 0.452 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1ccnc(C)n1 ZINC001126555686 746514613 /nfs/dbraw/zinc/51/46/13/746514613.db2.gz PBPJBBUYONLIEH-INIZCTEOSA-N 1 1 345.447 0.452 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C(F)F)C[C@@H]3C2)C1=O ZINC001087858315 746514770 /nfs/dbraw/zinc/51/47/70/746514770.db2.gz XMCQHUNCMDPTCX-FRRDWIJNSA-N 1 1 327.375 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cscn2)C1 ZINC000978657737 746545718 /nfs/dbraw/zinc/54/57/18/746545718.db2.gz KPUPFUJYUCGXJA-GUTXKFCHSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cscn2)C1 ZINC000978657737 746545720 /nfs/dbraw/zinc/54/57/20/746545720.db2.gz KPUPFUJYUCGXJA-GUTXKFCHSA-N 1 1 346.456 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)nc1 ZINC001027656053 746594084 /nfs/dbraw/zinc/59/40/84/746594084.db2.gz JIONPYIPVQOYCC-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@H]3CCCNC3=O)C2)nc1 ZINC001027656387 746597016 /nfs/dbraw/zinc/59/70/16/746597016.db2.gz OOXRGTIYRZKIDD-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)nc1 ZINC001027656342 746597029 /nfs/dbraw/zinc/59/70/29/746597029.db2.gz NRPAHBWKBUOFED-NVXWUHKLSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ncccn4)C[C@H]32)c1 ZINC000978704753 746605092 /nfs/dbraw/zinc/60/50/92/746605092.db2.gz YSKDGRFTJZMICV-OSYLJGHBSA-N 1 1 333.395 0.961 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ncccn4)C[C@H]32)c1 ZINC000978704753 746605095 /nfs/dbraw/zinc/60/50/95/746605095.db2.gz YSKDGRFTJZMICV-OSYLJGHBSA-N 1 1 333.395 0.961 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978737797 746633202 /nfs/dbraw/zinc/63/32/02/746633202.db2.gz IKIGMRFLXACICI-NFAWXSAZSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc(C)c[nH]4)[C@@H]3C2)C1=O ZINC000978826138 746754529 /nfs/dbraw/zinc/75/45/29/746754529.db2.gz ZWLWSVLNVIYSGL-XQLPTFJDSA-N 1 1 343.431 0.413 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H]2C1 ZINC000978845990 746784161 /nfs/dbraw/zinc/78/41/61/746784161.db2.gz AYJBYXZQDCOUMY-OVYGPGRDSA-N 1 1 328.416 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000978954733 746951035 /nfs/dbraw/zinc/95/10/35/746951035.db2.gz XLSIEQQBJDQLRP-LZWOXQAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000978954733 746951037 /nfs/dbraw/zinc/95/10/37/746951037.db2.gz XLSIEQQBJDQLRP-LZWOXQAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCc4ccnn4C)C[C@H]32)cn1 ZINC000979010873 747043808 /nfs/dbraw/zinc/04/38/08/747043808.db2.gz XWHUELBMKRWGCV-LDLYASANSA-N 1 1 349.438 0.947 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]2C1 ZINC001088012924 747059537 /nfs/dbraw/zinc/05/95/37/747059537.db2.gz IPWRYAYENVRFRB-CVEARBPZSA-N 1 1 340.427 0.527 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001007164731 752147470 /nfs/dbraw/zinc/14/74/70/752147470.db2.gz OMXDKQUSNIDHCX-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001007164731 752147472 /nfs/dbraw/zinc/14/74/72/752147472.db2.gz OMXDKQUSNIDHCX-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001002199275 747075749 /nfs/dbraw/zinc/07/57/49/747075749.db2.gz CKIZCCFGTPZHIN-ZVZYQTTQSA-N 1 1 349.475 0.884 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c(cn3)nc[nH]c4=O)[C@@H]2C1 ZINC000979045194 747076777 /nfs/dbraw/zinc/07/67/77/747076777.db2.gz MGOMSWOPYVJVBR-ZSOGYDGISA-N 1 1 337.383 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)C(C)C)[C@@H]2C1 ZINC000979057001 747099584 /nfs/dbraw/zinc/09/95/84/747099584.db2.gz HTVBHUMSZJOBPN-NXOAAHMSSA-N 1 1 331.460 0.951 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]2C1 ZINC001088029122 747102405 /nfs/dbraw/zinc/10/24/05/747102405.db2.gz XSASCFWGDMJGGB-HIFRSBDPSA-N 1 1 328.416 0.541 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC001002234542 747110033 /nfs/dbraw/zinc/11/00/33/747110033.db2.gz GOAYYTLEQXCUEY-BXUZGUMPSA-N 1 1 329.404 0.415 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](C)Nc1ccnc(C#N)n1)C2 ZINC001098272639 747142491 /nfs/dbraw/zinc/14/24/91/747142491.db2.gz NZEDMZAQTDBALC-DGCLKSJQSA-N 1 1 339.403 0.454 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088053356 747160700 /nfs/dbraw/zinc/16/07/00/747160700.db2.gz DYPQMIDKAPTSQE-OWCLPIDISA-N 1 1 338.473 0.757 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001002287376 747170227 /nfs/dbraw/zinc/17/02/27/747170227.db2.gz SYAXQTHEUAJBCS-OAHLLOKOSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001002287376 747170233 /nfs/dbraw/zinc/17/02/33/747170233.db2.gz SYAXQTHEUAJBCS-OAHLLOKOSA-N 1 1 337.464 0.884 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nnc(C)n4C3)[C@@H]2C1 ZINC000979105507 747186441 /nfs/dbraw/zinc/18/64/41/747186441.db2.gz SKJSSMCLQNBWQY-YHUYYLMFSA-N 1 1 327.432 0.466 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCOCC3)CC[C@@H]2C1 ZINC001088067277 747189867 /nfs/dbraw/zinc/18/98/67/747189867.db2.gz XGXWDSGJNQXONR-CVEARBPZSA-N 1 1 349.475 0.838 20 30 ECEDMO C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)Cc2nonc2C)CC1 ZINC001098518752 752158894 /nfs/dbraw/zinc/15/88/94/752158894.db2.gz VMWDVYMAMUFYCJ-UHFFFAOYSA-N 1 1 342.827 0.958 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC001098518900 752172158 /nfs/dbraw/zinc/17/21/58/752172158.db2.gz WOBVXHRHQYRVFU-UHFFFAOYSA-N 1 1 331.416 0.882 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)c3cnc(C)[nH]3)C2)CC1 ZINC001002474616 747404408 /nfs/dbraw/zinc/40/44/08/747404408.db2.gz QPCKSQYZLUQQSQ-UHFFFAOYSA-N 1 1 343.431 0.252 20 30 ECEDMO C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)CCc1nc[nH]n1)CCO2 ZINC001105466292 752178639 /nfs/dbraw/zinc/17/86/39/752178639.db2.gz QNILIKADKTUNJL-UHFFFAOYSA-N 1 1 345.447 0.890 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]2C1 ZINC001088115450 747422642 /nfs/dbraw/zinc/42/26/42/747422642.db2.gz SIXIBRGAVOHAAV-CABCVRRESA-N 1 1 342.443 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001027763103 747537451 /nfs/dbraw/zinc/53/74/51/747537451.db2.gz BFDPNVGBCTWEBN-GDBMZVCRSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001027763103 747537455 /nfs/dbraw/zinc/53/74/55/747537455.db2.gz BFDPNVGBCTWEBN-GDBMZVCRSA-N 1 1 345.447 0.953 20 30 ECEDMO C[C@H]([NH2+]Cc1cnon1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979299994 747543224 /nfs/dbraw/zinc/54/32/24/747543224.db2.gz ZKTBFSYZWVKDCV-HZMBPMFUSA-N 1 1 330.348 0.289 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088154716 747547348 /nfs/dbraw/zinc/54/73/48/747547348.db2.gz CWBAZKRXYKIDJC-OAGGEKHMSA-N 1 1 343.431 0.342 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 ZINC001088169416 747583594 /nfs/dbraw/zinc/58/35/94/747583594.db2.gz VOESOWWNUOZDMW-KGLIPLIRSA-N 1 1 334.420 0.237 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc4nc(C)nn43)C[C@@H]2C1 ZINC001088169213 747583884 /nfs/dbraw/zinc/58/38/84/747583884.db2.gz MMPNCGFQWSRMKW-CABCVRRESA-N 1 1 338.415 0.850 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]Cc3ccon3)C2)nn1 ZINC000979387006 747745396 /nfs/dbraw/zinc/74/53/96/747745396.db2.gz PGZATZCEZCKHHY-SWLSCSKDSA-N 1 1 346.391 0.471 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3nccnc3N)CC2)C1 ZINC001088230512 747783234 /nfs/dbraw/zinc/78/32/34/747783234.db2.gz RVPBOPCBAJALGP-HNNXBMFYSA-N 1 1 343.431 0.635 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CCc3nnc[nH]3)CC2)C1 ZINC001088232341 747787424 /nfs/dbraw/zinc/78/74/24/747787424.db2.gz NZBJDKNBZUZCCV-INIZCTEOSA-N 1 1 345.447 0.700 20 30 ECEDMO C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001088232341 747787430 /nfs/dbraw/zinc/78/74/30/747787430.db2.gz NZBJDKNBZUZCCV-INIZCTEOSA-N 1 1 345.447 0.700 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001088232341 747787436 /nfs/dbraw/zinc/78/74/36/747787436.db2.gz NZBJDKNBZUZCCV-INIZCTEOSA-N 1 1 345.447 0.700 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001088233641 747795538 /nfs/dbraw/zinc/79/55/38/747795538.db2.gz WEMVODQATMHMLY-CVEARBPZSA-N 1 1 349.431 0.448 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)c2cncc(C#N)n2)C1 ZINC001112181809 747795767 /nfs/dbraw/zinc/79/57/67/747795767.db2.gz ZDACBTZDWVWHJU-CQSZACIVSA-N 1 1 330.436 0.975 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 ZINC001088233894 747800433 /nfs/dbraw/zinc/80/04/33/747800433.db2.gz CKFFTRHWFGRBRB-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC001088233949 747801050 /nfs/dbraw/zinc/80/10/50/747801050.db2.gz DRQMNJNJPSMFKI-HNNXBMFYSA-N 1 1 335.448 0.461 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ncccc2F)C1 ZINC001002825401 747836982 /nfs/dbraw/zinc/83/69/82/747836982.db2.gz DYLAKLBNTBBCNE-HNNXBMFYSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ncccc2F)C1 ZINC001002825401 747836987 /nfs/dbraw/zinc/83/69/87/747836987.db2.gz DYLAKLBNTBBCNE-HNNXBMFYSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001002825714 747838514 /nfs/dbraw/zinc/83/85/14/747838514.db2.gz GBFGGGSDGROYQT-RDJZCZTQSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC2=CCOCC2)C1 ZINC001002826843 747840496 /nfs/dbraw/zinc/84/04/96/747840496.db2.gz PXRQIIBLWSZZLX-KRWDZBQOSA-N 1 1 345.443 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC2=CCOCC2)C1 ZINC001002826843 747840502 /nfs/dbraw/zinc/84/05/02/747840502.db2.gz PXRQIIBLWSZZLX-KRWDZBQOSA-N 1 1 345.443 0.395 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2csnc2C)C1 ZINC001002828152 747842471 /nfs/dbraw/zinc/84/24/71/747842471.db2.gz ASDDRYDQBQCXKH-HNNXBMFYSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2csnc2C)C1 ZINC001002828152 747842475 /nfs/dbraw/zinc/84/24/75/747842475.db2.gz ASDDRYDQBQCXKH-HNNXBMFYSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnc(C)s2)C1 ZINC001002830908 747848368 /nfs/dbraw/zinc/84/83/68/747848368.db2.gz YHFXZLHQCWUSHD-AWEZNQCLSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnc(C)s2)C1 ZINC001002830908 747848376 /nfs/dbraw/zinc/84/83/76/747848376.db2.gz YHFXZLHQCWUSHD-AWEZNQCLSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]cc2C)C1 ZINC001002835763 747856979 /nfs/dbraw/zinc/85/69/79/747856979.db2.gz PIRLHWPABZSDJG-INIZCTEOSA-N 1 1 328.416 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]cc2C)C1 ZINC001002835763 747856986 /nfs/dbraw/zinc/85/69/86/747856986.db2.gz PIRLHWPABZSDJG-INIZCTEOSA-N 1 1 328.416 0.609 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)C3CCOCC3)C2)C1=O ZINC001029623153 747914395 /nfs/dbraw/zinc/91/43/95/747914395.db2.gz JPNGANFQHSXINK-NVXWUHKLSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)C(=O)OCCNc1cc(N2CCC(C(N)=O)CC2)[nH+]cn1 ZINC001168070106 748056059 /nfs/dbraw/zinc/05/60/59/748056059.db2.gz FJTBICDWCVUPIR-UHFFFAOYSA-N 1 1 333.392 0.710 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC000979611925 748119940 /nfs/dbraw/zinc/11/99/40/748119940.db2.gz FESJZHKSAKGQOZ-AEGPPILISA-N 1 1 343.431 0.805 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC000979611937 748120164 /nfs/dbraw/zinc/12/01/64/748120164.db2.gz FESJZHKSAKGQOZ-QEJZJMRPSA-N 1 1 343.431 0.805 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001029712666 748125984 /nfs/dbraw/zinc/12/59/84/748125984.db2.gz XZYPZYYWRQUUND-DOMZBBRYSA-N 1 1 329.404 0.511 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@@H]1CCC(=O)NC1=O ZINC001029712160 748138119 /nfs/dbraw/zinc/13/81/19/748138119.db2.gz LKCLKCLCUCZIIU-SMDDNHRTSA-N 1 1 343.387 0.085 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979656822 748168713 /nfs/dbraw/zinc/16/87/13/748168713.db2.gz MBOPVRLESHQGKP-MQMHXKEQSA-N 1 1 340.387 0.716 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000979657587 748169320 /nfs/dbraw/zinc/16/93/20/748169320.db2.gz NRWHVTUXLHETTA-YRGRVCCFSA-N 1 1 329.404 0.463 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000985475012 748210626 /nfs/dbraw/zinc/21/06/26/748210626.db2.gz JFRPKIHPZXTFMH-IRXDYDNUSA-N 1 1 346.475 0.238 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1 ZINC001075856683 748220670 /nfs/dbraw/zinc/22/06/70/748220670.db2.gz DENFAQUTWGDQEQ-GOEBONIOSA-N 1 1 329.400 0.883 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCN(C)C2=O)cn1 ZINC001098244937 752251453 /nfs/dbraw/zinc/25/14/53/752251453.db2.gz WQSHNTAZLSWXCL-NCOADZHNSA-N 1 1 338.411 0.629 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCN(C)C2=O)cn1 ZINC001098244937 752251455 /nfs/dbraw/zinc/25/14/55/752251455.db2.gz WQSHNTAZLSWXCL-NCOADZHNSA-N 1 1 338.411 0.629 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001059553031 748259776 /nfs/dbraw/zinc/25/97/76/748259776.db2.gz KJKGSJLZIZTNBG-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001059553031 748259780 /nfs/dbraw/zinc/25/97/80/748259780.db2.gz KJKGSJLZIZTNBG-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001029755262 748263052 /nfs/dbraw/zinc/26/30/52/748263052.db2.gz LGQJMBOKOUOOKT-CABCVRRESA-N 1 1 330.432 0.957 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001003185864 748272352 /nfs/dbraw/zinc/27/23/52/748272352.db2.gz LPIJIVDNIMQHOP-LLVKDONJSA-N 1 1 339.827 0.879 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C[C@H]2CCNC(=O)CC2)c[nH]1 ZINC001027836585 748390404 /nfs/dbraw/zinc/39/04/04/748390404.db2.gz VWPCVUHRUXULCO-CJNGLKHVSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)nn1 ZINC001098727693 748395909 /nfs/dbraw/zinc/39/59/09/748395909.db2.gz GSRBZEKIZVTVEX-ZNMIVQPWSA-N 1 1 346.435 0.051 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001027836965 748407671 /nfs/dbraw/zinc/40/76/71/748407671.db2.gz YXLNRVNGNHBASL-INIZCTEOSA-N 1 1 341.419 0.989 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCc3cnn(C)n3)C2)nn1 ZINC001098727782 748430492 /nfs/dbraw/zinc/43/04/92/748430492.db2.gz HNJPMTWFRLSMIH-OAHLLOKOSA-N 1 1 344.423 0.088 20 30 ECEDMO CN1CCN(C)[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262553042 748440014 /nfs/dbraw/zinc/44/00/14/748440014.db2.gz ZMTVHQJBRWTALS-CQSZACIVSA-N 1 1 333.436 0.820 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cnco3)C2)C1=O ZINC001029799311 748466301 /nfs/dbraw/zinc/46/63/01/748466301.db2.gz XGSZTHZVFQKZKW-KGLIPLIRSA-N 1 1 332.404 0.855 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCO1)C2 ZINC001003376106 748483765 /nfs/dbraw/zinc/48/37/65/748483765.db2.gz VNQFUCYJPZFJKE-UHDSXZAQSA-N 1 1 345.443 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCO1)C2 ZINC001003376106 748483768 /nfs/dbraw/zinc/48/37/68/748483768.db2.gz VNQFUCYJPZFJKE-UHDSXZAQSA-N 1 1 345.443 0.511 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001029803175 748487433 /nfs/dbraw/zinc/48/74/33/748487433.db2.gz JYOZTRHACDZEAW-WMLDXEAASA-N 1 1 340.427 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccnn1C ZINC001075861707 748506512 /nfs/dbraw/zinc/50/65/12/748506512.db2.gz KJTMCSOWHMQMSC-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccnn1C ZINC001075861707 748506520 /nfs/dbraw/zinc/50/65/20/748506520.db2.gz KJTMCSOWHMQMSC-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001003471692 748589116 /nfs/dbraw/zinc/58/91/16/748589116.db2.gz OLVZEHSDIGKKII-KRWDZBQOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCNCc1cn([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001098728934 748742650 /nfs/dbraw/zinc/74/26/50/748742650.db2.gz WTEBBYMLHXBTFY-GOEBONIOSA-N 1 1 330.436 0.259 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC000985613289 748746754 /nfs/dbraw/zinc/74/67/54/748746754.db2.gz MGUODCBPVDHMGY-UHFFFAOYSA-N 1 1 330.388 0.475 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CS(=O)(=O)C3)C[C@H]2C1 ZINC000979977626 748753418 /nfs/dbraw/zinc/75/34/18/748753418.db2.gz GJTLVRMVSROCHW-KKUMJFAQSA-N 1 1 326.462 0.824 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 ZINC000979982153 748775855 /nfs/dbraw/zinc/77/58/55/748775855.db2.gz RDKDTZHBGXJKBH-GVDBMIGSSA-N 1 1 348.491 0.553 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@H+](C)Cc3cnnn3C)CC2)c1 ZINC000985638808 748776267 /nfs/dbraw/zinc/77/62/67/748776267.db2.gz XVGLFQIRCNGDIU-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)s1 ZINC001027861182 748798721 /nfs/dbraw/zinc/79/87/21/748798721.db2.gz RUGIIMWDUOVBPN-MFKMUULPSA-N 1 1 334.401 0.809 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)s1 ZINC001027861182 748798724 /nfs/dbraw/zinc/79/87/24/748798724.db2.gz RUGIIMWDUOVBPN-MFKMUULPSA-N 1 1 334.401 0.809 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)cc1F ZINC001027860904 748818436 /nfs/dbraw/zinc/81/84/36/748818436.db2.gz MXHBGNCZTIWYFH-ZFWWWQNUSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)cc1F ZINC001027860904 748818441 /nfs/dbraw/zinc/81/84/41/748818441.db2.gz MXHBGNCZTIWYFH-ZFWWWQNUSA-N 1 1 346.362 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cncn2C)C1 ZINC000980016980 748827952 /nfs/dbraw/zinc/82/79/52/748827952.db2.gz NWYLXTOLXJUUAK-KKUMJFAQSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cncn2C)C1 ZINC000980016980 748827955 /nfs/dbraw/zinc/82/79/55/748827955.db2.gz NWYLXTOLXJUUAK-KKUMJFAQSA-N 1 1 343.431 0.142 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CS(=O)(=O)C3)C[C@@H]2C1 ZINC000980085433 748943233 /nfs/dbraw/zinc/94/32/33/748943233.db2.gz NBTNCSGEYCCFAD-ARFHVFGLSA-N 1 1 338.473 0.661 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)C[C@@H]3CCOC3)C2)nn1 ZINC001029859484 748949939 /nfs/dbraw/zinc/94/99/39/748949939.db2.gz DEWBFLCOSHTMNV-CABCVRRESA-N 1 1 333.436 0.895 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000980113784 748997679 /nfs/dbraw/zinc/99/76/79/748997679.db2.gz QGWAKPRMXDONTM-WLYUNCDWSA-N 1 1 343.431 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3cnn(C)n3)CC2)nc1 ZINC000985760852 749028530 /nfs/dbraw/zinc/02/85/30/749028530.db2.gz XXBRWXMZOZGNCA-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3cnn(C)n3)CC2)nc1 ZINC000985760852 749028532 /nfs/dbraw/zinc/02/85/32/749028532.db2.gz XXBRWXMZOZGNCA-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@H]3C2)c1 ZINC000980145689 749063824 /nfs/dbraw/zinc/06/38/24/749063824.db2.gz JAZHCMAIXJSGBV-FVQBIDKESA-N 1 1 326.400 0.379 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001059644294 749077224 /nfs/dbraw/zinc/07/72/24/749077224.db2.gz NQHUHGIRCGDJCC-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001059646054 749092912 /nfs/dbraw/zinc/09/29/12/749092912.db2.gz LXBUDNCCCGSRNA-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 ZINC000980184742 749133741 /nfs/dbraw/zinc/13/37/41/749133741.db2.gz QOVNSQXPMDFXKP-NWANDNLSSA-N 1 1 331.416 0.279 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980186962 749139527 /nfs/dbraw/zinc/13/95/27/749139527.db2.gz QELNOSZMZTVPLX-NOLJZWGESA-N 1 1 344.390 0.899 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3nc4ncccn4n3)C[C@H]2C1 ZINC000980187345 749139795 /nfs/dbraw/zinc/13/97/95/749139795.db2.gz IEBYVCANKBKMOJ-KKUMJFAQSA-N 1 1 338.415 0.978 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1nc(C)ccc1C#N ZINC001126255627 749152033 /nfs/dbraw/zinc/15/20/33/749152033.db2.gz ZMABFVYNQXNISS-INIZCTEOSA-N 1 1 345.447 0.925 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001059654757 749154515 /nfs/dbraw/zinc/15/45/15/749154515.db2.gz UNHTZPARBXZUGW-HLLBOEOZSA-N 1 1 343.431 0.463 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001059654757 749154522 /nfs/dbraw/zinc/15/45/22/749154522.db2.gz UNHTZPARBXZUGW-HLLBOEOZSA-N 1 1 343.431 0.463 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)ccc3=O)C[C@H]2C1 ZINC000980211277 749191473 /nfs/dbraw/zinc/19/14/73/749191473.db2.gz GHYCHOMGTMMJJD-HRCADAONSA-N 1 1 328.416 0.402 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000980221838 749202168 /nfs/dbraw/zinc/20/21/68/749202168.db2.gz SINKFNWNAWTOAZ-ZNMIVQPWSA-N 1 1 348.447 0.721 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC000980245783 749233803 /nfs/dbraw/zinc/23/38/03/749233803.db2.gz OQRKSCXPFOLIDQ-KKUMJFAQSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 ZINC000980240183 749244546 /nfs/dbraw/zinc/24/45/46/749244546.db2.gz CNODYNNINBVRNZ-MJBXVCDLSA-N 1 1 334.420 0.283 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC000980268251 749278811 /nfs/dbraw/zinc/27/88/11/749278811.db2.gz FWHHEUCFGQWBDV-SFHVURJKSA-N 1 1 339.439 0.975 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC000980268251 749278815 /nfs/dbraw/zinc/27/88/15/749278815.db2.gz FWHHEUCFGQWBDV-SFHVURJKSA-N 1 1 339.439 0.975 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)OCCOC)C2)nn1 ZINC001098739068 749311947 /nfs/dbraw/zinc/31/19/47/749311947.db2.gz CIUQIXKEALZXAQ-HIFRSBDPSA-N 1 1 337.424 0.379 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001059679658 749408311 /nfs/dbraw/zinc/40/83/11/749408311.db2.gz NWSVWUFKFFEVOM-YJBOKZPZSA-N 1 1 348.447 0.873 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001059679705 749408621 /nfs/dbraw/zinc/40/86/21/749408621.db2.gz OTDBKNMKCQRJHN-HOCLYGCPSA-N 1 1 346.431 0.585 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)on3)[C@H]2C)C1=O ZINC001088458569 749457597 /nfs/dbraw/zinc/45/75/97/749457597.db2.gz GROAJEQBJXTOEZ-IPYPFGDCSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)on3)[C@H]2C)C1=O ZINC001088458569 749457599 /nfs/dbraw/zinc/45/75/99/749457599.db2.gz GROAJEQBJXTOEZ-IPYPFGDCSA-N 1 1 332.404 0.963 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@H]2CCC[N@H+]2CCS(C)(=O)=O)CC1 ZINC001004400464 749466578 /nfs/dbraw/zinc/46/65/78/749466578.db2.gz ZUAJPMFOGUEQRB-UKRRQHHQSA-N 1 1 341.477 0.894 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCN(C)C3=O)C2)nc1 ZINC001029892502 749472480 /nfs/dbraw/zinc/47/24/80/749472480.db2.gz RQPQGDUURFDBKB-WBVHZDCISA-N 1 1 340.427 0.688 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088461859 749477108 /nfs/dbraw/zinc/47/71/08/749477108.db2.gz XJWCZHQBPULGSO-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088461859 749477114 /nfs/dbraw/zinc/47/71/14/749477114.db2.gz XJWCZHQBPULGSO-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](CC)NC(C)=O)C2)nn1 ZINC001098740342 749483430 /nfs/dbraw/zinc/48/34/30/749483430.db2.gz PNWSBDNVQDOGKK-HOTGVXAUSA-N 1 1 348.451 0.632 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1 ZINC000986078044 749486694 /nfs/dbraw/zinc/48/66/94/749486694.db2.gz BOYBLEPIDNCTJA-ZACQAIPSSA-N 1 1 329.444 0.658 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)no3)[C@H]2C)C1=O ZINC001088466281 749512154 /nfs/dbraw/zinc/51/21/54/749512154.db2.gz YONFCMISJSGXDK-HZSPNIEDSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)no3)[C@H]2C)C1=O ZINC001088466281 749512159 /nfs/dbraw/zinc/51/21/59/749512159.db2.gz YONFCMISJSGXDK-HZSPNIEDSA-N 1 1 332.404 0.963 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001027929595 749514663 /nfs/dbraw/zinc/51/46/63/749514663.db2.gz LKBDEPKLJANMLZ-GFCCVEGCSA-N 1 1 327.388 0.891 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001004460290 749527259 /nfs/dbraw/zinc/52/72/59/749527259.db2.gz YVBSIGVNTNUWQF-GJZGRUSLSA-N 1 1 348.447 0.864 20 30 ECEDMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000986112174 749560567 /nfs/dbraw/zinc/56/05/67/749560567.db2.gz ALCQUGACFHCUHI-GXFFZTMASA-N 1 1 340.391 0.601 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC001004495341 749567619 /nfs/dbraw/zinc/56/76/19/749567619.db2.gz UHSGZFJFGMDVOQ-INIZCTEOSA-N 1 1 347.463 0.861 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001004580444 749653993 /nfs/dbraw/zinc/65/39/93/749653993.db2.gz DLVVUSOVYDAIQI-OAHLLOKOSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001004585150 749656872 /nfs/dbraw/zinc/65/68/72/749656872.db2.gz WTRWUHNOBFBPGA-OAHLLOKOSA-N 1 1 346.431 0.265 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001004618947 749696116 /nfs/dbraw/zinc/69/61/16/749696116.db2.gz INLVEDUTMHAMPA-HNNXBMFYSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001004621914 749699337 /nfs/dbraw/zinc/69/93/37/749699337.db2.gz KVHNVMJJQNCUEA-MRXNPFEDSA-N 1 1 345.443 0.862 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000980548163 749760155 /nfs/dbraw/zinc/76/01/55/749760155.db2.gz CDHZRYDJGLITKF-JURCDPSOSA-N 1 1 343.431 0.709 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC)CC[C@@H]2C1 ZINC000986307816 749777070 /nfs/dbraw/zinc/77/70/70/749777070.db2.gz CTBGFVZFDNDVIG-PMPSAXMXSA-N 1 1 349.500 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC)CC[C@@H]2C1 ZINC000986307816 749777077 /nfs/dbraw/zinc/77/70/77/749777077.db2.gz CTBGFVZFDNDVIG-PMPSAXMXSA-N 1 1 349.500 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC000980640195 749887130 /nfs/dbraw/zinc/88/71/30/749887130.db2.gz SXPKTUVMHFIPPS-VGWMRTNUSA-N 1 1 329.444 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC000980640195 749887134 /nfs/dbraw/zinc/88/71/34/749887134.db2.gz SXPKTUVMHFIPPS-VGWMRTNUSA-N 1 1 329.444 0.895 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3ccc(F)cc3)C2)C1 ZINC001030182394 762009392 /nfs/dbraw/zinc/00/93/92/762009392.db2.gz KPEXXGXJCMTMNH-KRWDZBQOSA-N 1 1 331.391 0.308 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3ccc(F)cc3)C2)C1 ZINC001030182394 762009398 /nfs/dbraw/zinc/00/93/98/762009398.db2.gz KPEXXGXJCMTMNH-KRWDZBQOSA-N 1 1 331.391 0.308 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC001058849221 750148967 /nfs/dbraw/zinc/14/89/67/750148967.db2.gz PJKXWGSJGACGRX-HZPDHXFCSA-N 1 1 349.475 0.315 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001029971210 750155879 /nfs/dbraw/zinc/15/58/79/750155879.db2.gz RHVLYZGWBJDWOY-IRXDYDNUSA-N 1 1 346.475 0.143 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058848395 750156740 /nfs/dbraw/zinc/15/67/40/750156740.db2.gz FGQUCGMXCJKDMI-CABCVRRESA-N 1 1 339.480 0.724 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058848628 750161041 /nfs/dbraw/zinc/16/10/41/750161041.db2.gz ICSOMGPIACTIER-GJZGRUSLSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]nc2CC)C1=O ZINC001027990240 750241973 /nfs/dbraw/zinc/24/19/73/750241973.db2.gz SUEQRGHZMNGMHB-CJNGLKHVSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]nc2CC)C1=O ZINC001027990240 750241977 /nfs/dbraw/zinc/24/19/77/750241977.db2.gz SUEQRGHZMNGMHB-CJNGLKHVSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001059737123 750265375 /nfs/dbraw/zinc/26/53/75/750265375.db2.gz ILMGCGRAVJADCY-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001059737123 750265378 /nfs/dbraw/zinc/26/53/78/750265378.db2.gz ILMGCGRAVJADCY-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001059740563 750303863 /nfs/dbraw/zinc/30/38/63/750303863.db2.gz OTZKARSEBPIYGT-XQQFMLRXSA-N 1 1 337.387 0.603 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC000991604214 762037049 /nfs/dbraw/zinc/03/70/49/762037049.db2.gz AXXPORKOSBGNEM-HUUCEWRRSA-N 1 1 348.447 0.872 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)c3cnn(C)c3)C2)nn1 ZINC001105354195 750480024 /nfs/dbraw/zinc/48/00/24/750480024.db2.gz DTSAXPQBQVWWHZ-UHFFFAOYSA-N 1 1 343.435 0.648 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)ccc1F ZINC001028071361 750482746 /nfs/dbraw/zinc/48/27/46/750482746.db2.gz BMHQQABKPPXVBF-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)ccc1F ZINC001028071361 750482751 /nfs/dbraw/zinc/48/27/51/750482751.db2.gz BMHQQABKPPXVBF-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001028074541 750515443 /nfs/dbraw/zinc/51/54/43/750515443.db2.gz ISBAJXPQAJQYRS-CHWSQXEVSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+]Cc2nc(C(F)F)no2)nn1 ZINC001167838622 750521656 /nfs/dbraw/zinc/52/16/56/750521656.db2.gz JKPHJVQIDLWZLN-UHFFFAOYSA-N 1 1 341.322 0.694 20 30 ECEDMO Cc1cc(N(C)CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001105355325 750532787 /nfs/dbraw/zinc/53/27/87/750532787.db2.gz KOVMIBJHBOKIAI-MRXNPFEDSA-N 1 1 331.420 0.487 20 30 ECEDMO Cc1cc(N(C)CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001105355325 750532790 /nfs/dbraw/zinc/53/27/90/750532790.db2.gz KOVMIBJHBOKIAI-MRXNPFEDSA-N 1 1 331.420 0.487 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cn[nH]c2)C1 ZINC001005747728 750587198 /nfs/dbraw/zinc/58/71/98/750587198.db2.gz WDHUPWHBHWIUNT-WFASDCNBSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cn[nH]c2)C1 ZINC001005747728 750587203 /nfs/dbraw/zinc/58/72/03/750587203.db2.gz WDHUPWHBHWIUNT-WFASDCNBSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2csnn2)CC1 ZINC000981361462 750625672 /nfs/dbraw/zinc/62/56/72/750625672.db2.gz NRZMWOJNVDARGG-HNNXBMFYSA-N 1 1 333.461 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2csnn2)CC1 ZINC000981361462 750625675 /nfs/dbraw/zinc/62/56/75/750625675.db2.gz NRZMWOJNVDARGG-HNNXBMFYSA-N 1 1 333.461 0.670 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3c(C)ncn3C)CC2)C1=O ZINC000981387181 750641536 /nfs/dbraw/zinc/64/15/36/750641536.db2.gz CWBJGYFASBPCLS-OAHLLOKOSA-N 1 1 345.447 0.663 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3c(C)ncn3C)CC2)C1=O ZINC000981387181 750641540 /nfs/dbraw/zinc/64/15/40/750641540.db2.gz CWBJGYFASBPCLS-OAHLLOKOSA-N 1 1 345.447 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cscn2)C1 ZINC001005800767 750650729 /nfs/dbraw/zinc/65/07/29/750650729.db2.gz INUAIWHPYWSPCZ-WFASDCNBSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cscn2)C1 ZINC001005800767 750650730 /nfs/dbraw/zinc/65/07/30/750650730.db2.gz INUAIWHPYWSPCZ-WFASDCNBSA-N 1 1 346.456 0.817 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](CCNC(=O)CSCC#N)C1 ZINC001059788596 750662030 /nfs/dbraw/zinc/66/20/30/750662030.db2.gz JJQUQBLAYPZFFI-AWEZNQCLSA-N 1 1 340.493 0.938 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001059789927 750671184 /nfs/dbraw/zinc/67/11/84/750671184.db2.gz FHBINMSLZIZBIH-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001059790769 750685236 /nfs/dbraw/zinc/68/52/36/750685236.db2.gz ITQZQJYKGILIJK-SOUVJXGZSA-N 1 1 342.447 0.951 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000981459239 750716346 /nfs/dbraw/zinc/71/63/46/750716346.db2.gz PQCWYMMICDDBHX-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2cnc3ccc(OC)nn32)CC1 ZINC000981476939 750731057 /nfs/dbraw/zinc/73/10/57/750731057.db2.gz KUTGRGIQOPQDFA-UHFFFAOYSA-N 1 1 327.388 0.909 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001005922303 750805448 /nfs/dbraw/zinc/80/54/48/750805448.db2.gz NBYIVZFZVOQRGC-WBMJQRKESA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001005922297 750805493 /nfs/dbraw/zinc/80/54/93/750805493.db2.gz NBYIVZFZVOQRGC-LRDDRELGSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001005942517 750825860 /nfs/dbraw/zinc/82/58/60/750825860.db2.gz DIZDKINDEUVXCF-NEPJUHHUSA-N 1 1 329.404 0.415 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC000981582468 750836649 /nfs/dbraw/zinc/83/66/49/750836649.db2.gz IDSNNRDAXWSUCH-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001005949570 750837720 /nfs/dbraw/zinc/83/77/20/750837720.db2.gz XKJCGHDBSVUZPC-XHBSWPGZSA-N 1 1 343.431 0.803 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC001005967997 750864297 /nfs/dbraw/zinc/86/42/97/750864297.db2.gz ITUFNSLKNOWJTR-UHFFFAOYSA-N 1 1 328.416 0.688 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CCn3cccn3)[C@@H]2C)CC1 ZINC000987573245 750975381 /nfs/dbraw/zinc/97/53/81/750975381.db2.gz ZIUCMNLKQRGCRK-FUHWJXTLSA-N 1 1 343.475 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)C(F)F)C1 ZINC000987644758 751050250 /nfs/dbraw/zinc/05/02/50/751050250.db2.gz VZNQVQVWTAMADN-OLZOCXBDSA-N 1 1 327.375 0.656 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)C(F)F)C1 ZINC000987644758 751050256 /nfs/dbraw/zinc/05/02/56/751050256.db2.gz VZNQVQVWTAMADN-OLZOCXBDSA-N 1 1 327.375 0.656 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)c3cnon3)CC2)C1=O ZINC001006169421 751085806 /nfs/dbraw/zinc/08/58/06/751085806.db2.gz KKVXTCJIPUIUBQ-AWEZNQCLSA-N 1 1 333.392 0.393 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000981776644 751087785 /nfs/dbraw/zinc/08/77/85/751087785.db2.gz TYBBRSWCNHZCNS-PMPSAXMXSA-N 1 1 347.459 0.781 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006186743 751102463 /nfs/dbraw/zinc/10/24/63/751102463.db2.gz LIYRNIZNPRGHKU-XJKSGUPXSA-N 1 1 333.432 0.084 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006186743 751102466 /nfs/dbraw/zinc/10/24/66/751102466.db2.gz LIYRNIZNPRGHKU-XJKSGUPXSA-N 1 1 333.432 0.084 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCC2)c1 ZINC001028126611 751139612 /nfs/dbraw/zinc/13/96/12/751139612.db2.gz NEEJHGYKBAKTLB-MRXNPFEDSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCC2)c1 ZINC001028126611 751139617 /nfs/dbraw/zinc/13/96/17/751139617.db2.gz NEEJHGYKBAKTLB-MRXNPFEDSA-N 1 1 326.400 0.489 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC000981861192 751208842 /nfs/dbraw/zinc/20/88/42/751208842.db2.gz GILPAQODVSMCEB-UHFFFAOYSA-N 1 1 339.827 0.259 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC000981861192 751208848 /nfs/dbraw/zinc/20/88/48/751208848.db2.gz GILPAQODVSMCEB-UHFFFAOYSA-N 1 1 339.827 0.259 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccccc3OCC(N)=O)C2)C1 ZINC000981881648 751234227 /nfs/dbraw/zinc/23/42/27/751234227.db2.gz LOBQRFQVJOXDQJ-UHFFFAOYSA-N 1 1 341.411 0.722 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]cc2C)C1 ZINC001006316124 751236978 /nfs/dbraw/zinc/23/69/78/751236978.db2.gz RYZHTAZXXODOET-YOEHRIQHSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]cc2C)C1 ZINC001006316124 751236984 /nfs/dbraw/zinc/23/69/84/751236984.db2.gz RYZHTAZXXODOET-YOEHRIQHSA-N 1 1 342.443 0.997 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC000981877111 751237193 /nfs/dbraw/zinc/23/71/93/751237193.db2.gz PCCQUCRJYYLCNP-UHFFFAOYSA-N 1 1 332.404 0.449 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(N(C)C)nn3)C2)nn1 ZINC001105362831 752316945 /nfs/dbraw/zinc/31/69/45/752316945.db2.gz LKDRATNWNRRTPF-UHFFFAOYSA-N 1 1 342.407 0.107 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](CCCC)C(N)=O)C[C@H]1OC ZINC001212034017 752422990 /nfs/dbraw/zinc/42/29/90/752422990.db2.gz QVTOPGQUXLLEJC-MGPQQGTHSA-N 1 1 327.425 0.049 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@H](CCCC)C(N)=O)C[C@H]1OC ZINC001212034017 752422993 /nfs/dbraw/zinc/42/29/93/752422993.db2.gz QVTOPGQUXLLEJC-MGPQQGTHSA-N 1 1 327.425 0.049 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1OC ZINC001212036206 752425357 /nfs/dbraw/zinc/42/53/57/752425357.db2.gz MUDQRNFIAWZTEZ-HUUCEWRRSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1OC ZINC001212031978 752428977 /nfs/dbraw/zinc/42/89/77/752428977.db2.gz DMSZZVQSEWYQLR-JHJVBQTASA-N 1 1 334.363 0.429 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1OC ZINC001212031978 752428980 /nfs/dbraw/zinc/42/89/80/752428980.db2.gz DMSZZVQSEWYQLR-JHJVBQTASA-N 1 1 334.363 0.429 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001087455310 752515201 /nfs/dbraw/zinc/51/52/01/752515201.db2.gz MYOHXJFPKIUAGJ-HZPDHXFCSA-N 1 1 344.394 0.973 20 30 ECEDMO C=C(C)CNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644532 752526014 /nfs/dbraw/zinc/52/60/14/752526014.db2.gz CPIYQHXKNXKFME-CVEARBPZSA-N 1 1 332.452 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncn2)[C@@H]1C ZINC000988737627 752640100 /nfs/dbraw/zinc/64/01/00/752640100.db2.gz CYMKQBMMYLVGAD-YCPHGPKFSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncn2)[C@@H]1C ZINC000988737627 752640104 /nfs/dbraw/zinc/64/01/04/752640104.db2.gz CYMKQBMMYLVGAD-YCPHGPKFSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001087457300 752710689 /nfs/dbraw/zinc/71/06/89/752710689.db2.gz SYYCBIZGWSBWJM-IXDOHACOSA-N 1 1 343.402 0.869 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001087457300 752710694 /nfs/dbraw/zinc/71/06/94/752710694.db2.gz SYYCBIZGWSBWJM-IXDOHACOSA-N 1 1 343.402 0.869 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001028465964 752743011 /nfs/dbraw/zinc/74/30/11/752743011.db2.gz NWHHIVKRPZGEGN-MOPGFXCFSA-N 1 1 341.455 0.807 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1C ZINC001105844221 762156882 /nfs/dbraw/zinc/15/68/82/762156882.db2.gz WFEZTRPEVSHXLI-CHWSQXEVSA-N 1 1 331.420 0.019 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001028482141 752811546 /nfs/dbraw/zinc/81/15/46/752811546.db2.gz JUHBWEWWBHLZKB-UKRRQHHQSA-N 1 1 344.415 0.626 20 30 ECEDMO COCCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(C#N)nc1 ZINC001126373279 752818498 /nfs/dbraw/zinc/81/84/98/752818498.db2.gz SBYRBEXXDSVUBS-OAHLLOKOSA-N 1 1 345.447 0.864 20 30 ECEDMO Cn1nccc1CC[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028487582 752823731 /nfs/dbraw/zinc/82/37/31/752823731.db2.gz ZFPPDLUZUBZMHS-CYBMUJFWSA-N 1 1 326.404 0.914 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028491883 752836375 /nfs/dbraw/zinc/83/63/75/752836375.db2.gz PQWHZVTVJFVCQX-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 ZINC001007720141 752857266 /nfs/dbraw/zinc/85/72/66/752857266.db2.gz WOSHHVZPZOXKEE-DYVFJYSZSA-N 1 1 345.403 0.332 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccn(C3CCOCC3)n2)[C@@H](O)C1 ZINC001083461108 752882902 /nfs/dbraw/zinc/88/29/02/752882902.db2.gz NJFPDXJFPPFDSP-CVEARBPZSA-N 1 1 334.420 0.586 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(C3CCOCC3)n2)[C@@H](O)C1 ZINC001083461108 752882904 /nfs/dbraw/zinc/88/29/04/752882904.db2.gz NJFPDXJFPPFDSP-CVEARBPZSA-N 1 1 334.420 0.586 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001059931296 752900533 /nfs/dbraw/zinc/90/05/33/752900533.db2.gz PPNRBEZCOGGVFW-ZIAGYGMSSA-N 1 1 328.420 0.633 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)CN1C(=O)C#CC1CC1 ZINC000988826083 752938829 /nfs/dbraw/zinc/93/88/29/752938829.db2.gz NFMHPSDFAHSQPE-TZMCWYRMSA-N 1 1 330.436 0.921 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(C)c(C(N)=O)cn3)C[C@@]2(C)C1 ZINC000982573677 752944079 /nfs/dbraw/zinc/94/40/79/752944079.db2.gz CWXUCXQPRGEOLV-KDURUIRLSA-N 1 1 340.427 0.906 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@H](C)C(=O)NC)C[C@]2(C)C1 ZINC000982574406 752947172 /nfs/dbraw/zinc/94/71/72/752947172.db2.gz LGMAFKSQOPPTDH-HIGHGGLBSA-N 1 1 349.475 0.882 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@@H](C)C(=O)NC)C[C@]2(C)C1 ZINC000982574405 752947978 /nfs/dbraw/zinc/94/79/78/752947978.db2.gz LGMAFKSQOPPTDH-GLIGQWPOSA-N 1 1 349.475 0.882 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCCN(CCOC)c1cnc(C#N)cn1 ZINC001126379665 753090941 /nfs/dbraw/zinc/09/09/41/753090941.db2.gz BFTFAAHDXGKGJE-UHFFFAOYSA-N 1 1 348.451 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028535790 753095012 /nfs/dbraw/zinc/09/50/12/753095012.db2.gz FAZQISVJJJLKEP-KGLIPLIRSA-N 1 1 329.404 0.224 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@]3(C)C[N@H+](CCOC)C[C@]3(C)C2)nn1 ZINC000982630288 753113770 /nfs/dbraw/zinc/11/37/70/753113770.db2.gz LTHRYJUJCLWSBU-CALCHBBNSA-N 1 1 333.436 0.895 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001007994283 753184117 /nfs/dbraw/zinc/18/41/17/753184117.db2.gz HURFJPPJDOACMA-LSDHHAIUSA-N 1 1 333.432 0.084 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001007994283 753184119 /nfs/dbraw/zinc/18/41/19/753184119.db2.gz HURFJPPJDOACMA-LSDHHAIUSA-N 1 1 333.432 0.084 20 30 ECEDMO CN1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001051493410 762200053 /nfs/dbraw/zinc/20/00/53/762200053.db2.gz JUGJFPYYOOAODK-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nccn2C(F)F)C1 ZINC001051494283 762205515 /nfs/dbraw/zinc/20/55/15/762205515.db2.gz HCAHYTQRLJFNFM-QWRGUYRKSA-N 1 1 327.335 0.755 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC001051495107 762207592 /nfs/dbraw/zinc/20/75/92/762207592.db2.gz QVJRXJZLROJPOS-JSGCOSHPSA-N 1 1 334.424 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000982715951 753394224 /nfs/dbraw/zinc/39/42/24/753394224.db2.gz POWJLCZMPQPNLD-HRCADAONSA-N 1 1 335.448 0.066 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000982715951 753394231 /nfs/dbraw/zinc/39/42/31/753394231.db2.gz POWJLCZMPQPNLD-HRCADAONSA-N 1 1 335.448 0.066 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001028581363 753396930 /nfs/dbraw/zinc/39/69/30/753396930.db2.gz IONDNBMXEYICNR-RYUDHWBXSA-N 1 1 344.253 0.811 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001028581363 753396938 /nfs/dbraw/zinc/39/69/38/753396938.db2.gz IONDNBMXEYICNR-RYUDHWBXSA-N 1 1 344.253 0.811 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)C1 ZINC001008169750 753410357 /nfs/dbraw/zinc/41/03/57/753410357.db2.gz ISVFTDVWQZRFCI-IUODEOHRSA-N 1 1 343.431 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C)cn1 ZINC000989163767 753412553 /nfs/dbraw/zinc/41/25/53/753412553.db2.gz FRLKXRFKECHEJN-UNEWFSDZSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@@]2(C)C1 ZINC000982771905 753515871 /nfs/dbraw/zinc/51/58/71/753515871.db2.gz FSLAHCZLTVWKFF-RYQLBKOJSA-N 1 1 335.448 0.590 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059039832 753534149 /nfs/dbraw/zinc/53/41/49/753534149.db2.gz ZABUCBJSIJJKKA-GJZGRUSLSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059039832 753534152 /nfs/dbraw/zinc/53/41/52/753534152.db2.gz ZABUCBJSIJJKKA-GJZGRUSLSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059039761 753534288 /nfs/dbraw/zinc/53/42/88/753534288.db2.gz WNJXUWSWDYHAAO-ZFWWWQNUSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059039761 753534294 /nfs/dbraw/zinc/53/42/94/753534294.db2.gz WNJXUWSWDYHAAO-ZFWWWQNUSA-N 1 1 344.419 0.470 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001008280994 753543727 /nfs/dbraw/zinc/54/37/27/753543727.db2.gz GVGDVBAXHKKOIA-CABCVRRESA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001008280994 753543734 /nfs/dbraw/zinc/54/37/34/753543734.db2.gz GVGDVBAXHKKOIA-CABCVRRESA-N 1 1 332.404 0.585 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]cc2C)C1 ZINC000982785412 753556043 /nfs/dbraw/zinc/55/60/43/753556043.db2.gz ZVRVSOGNZWUEPQ-WBVHZDCISA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]cc2C)C1 ZINC000982785412 753556047 /nfs/dbraw/zinc/55/60/47/753556047.db2.gz ZVRVSOGNZWUEPQ-WBVHZDCISA-N 1 1 342.443 0.999 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3c(C)n[nH]c3C)C2)nn1 ZINC001105371716 753568694 /nfs/dbraw/zinc/56/86/94/753568694.db2.gz XQYUWGVWTUQFFF-UHFFFAOYSA-N 1 1 329.408 0.520 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3nccnc3C(N)=O)C[C@@]2(C)C1 ZINC000982793352 753608511 /nfs/dbraw/zinc/60/85/11/753608511.db2.gz VVXQPKJFICQIAT-HDICACEKSA-N 1 1 343.431 0.936 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)nn1 ZINC001098681047 753610246 /nfs/dbraw/zinc/61/02/46/753610246.db2.gz NLEVXRFEWSLOCS-ZFWWWQNUSA-N 1 1 346.435 0.196 20 30 ECEDMO C=C(Br)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083368016 753702309 /nfs/dbraw/zinc/70/23/09/753702309.db2.gz AGACWUGKVCRIGR-WOPDTQHZSA-N 1 1 332.242 0.151 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001008468916 753772540 /nfs/dbraw/zinc/77/25/40/753772540.db2.gz OKZBTYJRSIQFJN-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001008468916 753772544 /nfs/dbraw/zinc/77/25/44/753772544.db2.gz OKZBTYJRSIQFJN-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1cc(C)nc(OC)n1 ZINC001105598998 753963015 /nfs/dbraw/zinc/96/30/15/753963015.db2.gz ATAGGZVZGWRMIP-HNNXBMFYSA-N 1 1 345.447 0.786 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1cc(C)nc(OC)n1 ZINC001105598998 753963017 /nfs/dbraw/zinc/96/30/17/753963017.db2.gz ATAGGZVZGWRMIP-HNNXBMFYSA-N 1 1 345.447 0.786 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ncnc2c1CCC2 ZINC001105599341 753971085 /nfs/dbraw/zinc/97/10/85/753971085.db2.gz VDSOGODHFNSMEJ-KRWDZBQOSA-N 1 1 341.459 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ncnc2c1CCC2 ZINC001105599341 753971090 /nfs/dbraw/zinc/97/10/90/753971090.db2.gz VDSOGODHFNSMEJ-KRWDZBQOSA-N 1 1 341.459 0.958 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001008671729 754007757 /nfs/dbraw/zinc/00/77/57/754007757.db2.gz OFSPAXRKFKPFTP-UKRRQHHQSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001008671729 754007764 /nfs/dbraw/zinc/00/77/64/754007764.db2.gz OFSPAXRKFKPFTP-UKRRQHHQSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3ncnn3CC)C[C@@H]2C)nn1 ZINC000989535644 754079052 /nfs/dbraw/zinc/07/90/52/754079052.db2.gz CWHGTARRMYJBTE-QWHCGFSZSA-N 1 1 344.423 0.468 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC000989564498 754118040 /nfs/dbraw/zinc/11/80/40/754118040.db2.gz BFNKAHGKVAFTDU-HNNXBMFYSA-N 1 1 327.428 0.879 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC000989564498 754118041 /nfs/dbraw/zinc/11/80/41/754118041.db2.gz BFNKAHGKVAFTDU-HNNXBMFYSA-N 1 1 327.428 0.879 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028640895 754146668 /nfs/dbraw/zinc/14/66/68/754146668.db2.gz XORAGMYOYNNBIK-KBPBESRZSA-N 1 1 333.436 0.950 20 30 ECEDMO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)no1 ZINC001051525027 762276712 /nfs/dbraw/zinc/27/67/12/762276712.db2.gz ZHHPZMPPWZBFKV-CQSZACIVSA-N 1 1 329.360 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ncccn2)C1 ZINC000982919713 754194997 /nfs/dbraw/zinc/19/49/97/754194997.db2.gz AALNZJUNYLULAQ-CABCVRRESA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ncccn2)C1 ZINC000982919713 754195001 /nfs/dbraw/zinc/19/50/01/754195001.db2.gz AALNZJUNYLULAQ-CABCVRRESA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000982921222 754199964 /nfs/dbraw/zinc/19/99/64/754199964.db2.gz HFSGLNNDFMTFGL-OWCLPIDISA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000982921222 754199966 /nfs/dbraw/zinc/19/99/66/754199966.db2.gz HFSGLNNDFMTFGL-OWCLPIDISA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000982924479 754209634 /nfs/dbraw/zinc/20/96/34/754209634.db2.gz XUKYNNUVVCQGIB-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000982924479 754209644 /nfs/dbraw/zinc/20/96/44/754209644.db2.gz XUKYNNUVVCQGIB-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000989694637 754323266 /nfs/dbraw/zinc/32/32/66/754323266.db2.gz NHWDXDHIWUAVGD-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000989694637 754323272 /nfs/dbraw/zinc/32/32/72/754323272.db2.gz NHWDXDHIWUAVGD-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000983008470 754412802 /nfs/dbraw/zinc/41/28/02/754412802.db2.gz GACZBZGIMINFMQ-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3nonc3C)C2)C1=O ZINC001009035031 754460825 /nfs/dbraw/zinc/46/08/25/754460825.db2.gz AUCJUTZPBZBEKB-ZFWWWQNUSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3nonc3C)C2)C1=O ZINC001009035031 754460831 /nfs/dbraw/zinc/46/08/31/754460831.db2.gz AUCJUTZPBZBEKB-ZFWWWQNUSA-N 1 1 347.419 0.288 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105377123 754467882 /nfs/dbraw/zinc/46/78/82/754467882.db2.gz RAYXJIOCOFXHME-HNNXBMFYSA-N 1 1 331.424 0.149 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC001009063230 754497555 /nfs/dbraw/zinc/49/75/55/754497555.db2.gz KLXOIRPZGSXORS-MPESAESLSA-N 1 1 341.415 0.272 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001028675664 754590923 /nfs/dbraw/zinc/59/09/23/754590923.db2.gz BAUCMWMDSIJWJK-AWEZNQCLSA-N 1 1 334.420 0.518 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C(C)(F)F)C[C@H]21 ZINC001009187497 754629195 /nfs/dbraw/zinc/62/91/95/754629195.db2.gz DFJJDJUJOSFUEX-FQUUOJAGSA-N 1 1 339.386 0.560 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C(C)(F)F)C[C@H]21 ZINC001009187497 754629197 /nfs/dbraw/zinc/62/91/97/754629197.db2.gz DFJJDJUJOSFUEX-FQUUOJAGSA-N 1 1 339.386 0.560 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cncn3C)C2)C1=O ZINC001009207293 754654754 /nfs/dbraw/zinc/65/47/54/754654754.db2.gz ILQHNYDEISSGKG-GOEBONIOSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3cncn3C)C2)C1=O ZINC001009207293 754654758 /nfs/dbraw/zinc/65/47/58/754654758.db2.gz ILQHNYDEISSGKG-GOEBONIOSA-N 1 1 345.447 0.330 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001060008176 754698166 /nfs/dbraw/zinc/69/81/66/754698166.db2.gz UQWWLMKAXVMPOZ-RHSMWYFYSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001060008176 754698169 /nfs/dbraw/zinc/69/81/69/754698169.db2.gz UQWWLMKAXVMPOZ-RHSMWYFYSA-N 1 1 343.431 0.934 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cccs2)C1 ZINC000990084899 754704834 /nfs/dbraw/zinc/70/48/34/754704834.db2.gz WJRHGBUUBRRUPJ-HNNXBMFYSA-N 1 1 331.441 0.715 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cccs2)C1 ZINC000990084899 754704837 /nfs/dbraw/zinc/70/48/37/754704837.db2.gz WJRHGBUUBRRUPJ-HNNXBMFYSA-N 1 1 331.441 0.715 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCCC3=O)C2)nc1 ZINC001009268833 754725256 /nfs/dbraw/zinc/72/52/56/754725256.db2.gz LCQYVGROWYGXCB-MRXNPFEDSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)nc1 ZINC001009268833 754725258 /nfs/dbraw/zinc/72/52/58/754725258.db2.gz LCQYVGROWYGXCB-MRXNPFEDSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCNC3=O)C2)nc1 ZINC001009269284 754725663 /nfs/dbraw/zinc/72/56/63/754725663.db2.gz NQPUGFVILCPLBK-OAHLLOKOSA-N 1 1 341.415 0.282 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)nc1 ZINC001009269284 754725669 /nfs/dbraw/zinc/72/56/69/754725669.db2.gz NQPUGFVILCPLBK-OAHLLOKOSA-N 1 1 341.415 0.282 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC001009269836 754726604 /nfs/dbraw/zinc/72/66/04/754726604.db2.gz PZPIUKGOVZJUKV-HIFRSBDPSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC001009269836 754726605 /nfs/dbraw/zinc/72/66/05/754726605.db2.gz PZPIUKGOVZJUKV-HIFRSBDPSA-N 1 1 328.416 0.734 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncccn3)C2)[nH]1 ZINC001051555792 762330563 /nfs/dbraw/zinc/33/05/63/762330563.db2.gz ODQSLRLSXFUITI-CYBMUJFWSA-N 1 1 326.360 0.307 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)c1 ZINC000990161278 754786327 /nfs/dbraw/zinc/78/63/27/754786327.db2.gz MJUQKXPPYGVMKY-CRAIPNDOSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)c1 ZINC000990161278 754786331 /nfs/dbraw/zinc/78/63/31/754786331.db2.gz MJUQKXPPYGVMKY-CRAIPNDOSA-N 1 1 341.415 0.892 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009354607 754798515 /nfs/dbraw/zinc/79/85/15/754798515.db2.gz UKEVYRNMSZWJKG-IRXDYDNUSA-N 1 1 325.412 0.680 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009354607 754798519 /nfs/dbraw/zinc/79/85/19/754798519.db2.gz UKEVYRNMSZWJKG-IRXDYDNUSA-N 1 1 325.412 0.680 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(Cl)o2)C1 ZINC000990255516 754883228 /nfs/dbraw/zinc/88/32/28/754883228.db2.gz ZTKWWVURWZZEDX-LBPRGKRZSA-N 1 1 335.791 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(Cl)o2)C1 ZINC000990255516 754883231 /nfs/dbraw/zinc/88/32/31/754883231.db2.gz ZTKWWVURWZZEDX-LBPRGKRZSA-N 1 1 335.791 0.971 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001028733413 754904858 /nfs/dbraw/zinc/90/48/58/754904858.db2.gz XEZYUUHTWOSQCV-GOEBONIOSA-N 1 1 339.395 0.525 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028735428 754917549 /nfs/dbraw/zinc/91/75/49/754917549.db2.gz MJIGSELSYCBXRI-XJKSGUPXSA-N 1 1 326.400 0.632 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001028739740 754941108 /nfs/dbraw/zinc/94/11/08/754941108.db2.gz IHDKBESBGUECKG-GHMZBOCLSA-N 1 1 345.241 0.357 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001028739740 754941109 /nfs/dbraw/zinc/94/11/09/754941109.db2.gz IHDKBESBGUECKG-GHMZBOCLSA-N 1 1 345.241 0.357 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000983269909 755031671 /nfs/dbraw/zinc/03/16/71/755031671.db2.gz WIXYHKCHRZCBCG-JKSUJKDBSA-N 1 1 340.427 0.593 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)cc1 ZINC001028773845 755062520 /nfs/dbraw/zinc/06/25/20/755062520.db2.gz OFFNMXYLLFWYDP-LSDHHAIUSA-N 1 1 327.388 0.178 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001009639070 755108299 /nfs/dbraw/zinc/10/82/99/755108299.db2.gz VFAAUCSSNDPXBR-CYBMUJFWSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3n[nH]cc3F)C2)C1=O ZINC001028783813 755117495 /nfs/dbraw/zinc/11/74/95/755117495.db2.gz HBNWUFRJFMAEGR-DGCLKSJQSA-N 1 1 335.383 0.387 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001028792437 755139584 /nfs/dbraw/zinc/13/95/84/755139584.db2.gz HWFGRTUUSCRTGW-HOCLYGCPSA-N 1 1 326.400 0.393 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001028808896 755200248 /nfs/dbraw/zinc/20/02/48/755200248.db2.gz GUYAAXSXQIWZTH-BMFZPTHFSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C)C2)C1=O ZINC000983324103 755213094 /nfs/dbraw/zinc/21/30/94/755213094.db2.gz ZHXKXVZKOVDZDC-VGWMRTNUSA-N 1 1 334.464 0.352 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccn(CC)n3)C2)C1=O ZINC001028846243 755292472 /nfs/dbraw/zinc/29/24/72/755292472.db2.gz ZZIHVQOJEGQARL-GDBMZVCRSA-N 1 1 345.447 0.742 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccn(CC)n3)C2)C1=O ZINC001028846244 755292718 /nfs/dbraw/zinc/29/27/18/755292718.db2.gz ZZIHVQOJEGQARL-GOEBONIOSA-N 1 1 345.447 0.742 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001028850922 755307626 /nfs/dbraw/zinc/30/76/26/755307626.db2.gz BADKPFMARMLGPX-CQSZACIVSA-N 1 1 341.419 0.814 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]([C@H](C)c3nnc(C)o3)C2)nn1 ZINC001028853529 755313187 /nfs/dbraw/zinc/31/31/87/755313187.db2.gz UYBJANSNQNINSX-DGCLKSJQSA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)c3nnc(C)o3)C2)nn1 ZINC001028853529 755313188 /nfs/dbraw/zinc/31/31/88/755313188.db2.gz UYBJANSNQNINSX-DGCLKSJQSA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](CCn3cccn3)C2)nn1 ZINC001028853113 755315703 /nfs/dbraw/zinc/31/57/03/755315703.db2.gz PIDUEOPDFACQOS-CQSZACIVSA-N 1 1 329.408 0.413 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001028857461 755322572 /nfs/dbraw/zinc/32/25/72/755322572.db2.gz IKQILEAQYOFEHU-HIFRSBDPSA-N 1 1 346.435 0.185 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001028862193 755330365 /nfs/dbraw/zinc/33/03/65/755330365.db2.gz NQFCIKKLDOKELJ-NEPJUHHUSA-N 1 1 335.857 0.211 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001028862193 755330366 /nfs/dbraw/zinc/33/03/66/755330366.db2.gz NQFCIKKLDOKELJ-NEPJUHHUSA-N 1 1 335.857 0.211 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001040265479 755504231 /nfs/dbraw/zinc/50/42/31/755504231.db2.gz AFMSEAZYGYUBFG-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@H]1C(C)C ZINC001105665997 755533561 /nfs/dbraw/zinc/53/35/61/755533561.db2.gz CAJLJIPBXBYSJS-AHCXZYCDSA-N 1 1 336.480 0.818 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC001075986406 755570253 /nfs/dbraw/zinc/57/02/53/755570253.db2.gz CMTIQKKUJQPBFQ-NWDGAFQWSA-N 1 1 337.401 0.097 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC001075986406 755570255 /nfs/dbraw/zinc/57/02/55/755570255.db2.gz CMTIQKKUJQPBFQ-NWDGAFQWSA-N 1 1 337.401 0.097 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)n3)on2)[C@@H](O)C1 ZINC001083490176 755678286 /nfs/dbraw/zinc/67/82/86/755678286.db2.gz RURGLRMCJLWUMS-CABCVRRESA-N 1 1 345.403 0.816 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CSCC#N)C3)n1 ZINC001112264228 755681307 /nfs/dbraw/zinc/68/13/07/755681307.db2.gz DFGZBUKYQDSYRN-WFASDCNBSA-N 1 1 349.464 0.185 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)n3C)[C@H]2C)C1=O ZINC001088795140 755714854 /nfs/dbraw/zinc/71/48/54/755714854.db2.gz PAURABJJELWBBS-FRRDWIJNSA-N 1 1 347.419 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)n3C)[C@H]2C)C1=O ZINC001088795140 755714856 /nfs/dbraw/zinc/71/48/56/755714856.db2.gz PAURABJJELWBBS-FRRDWIJNSA-N 1 1 347.419 0.105 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088795390 755718324 /nfs/dbraw/zinc/71/83/24/755718324.db2.gz AWWOOXKGPUCPSB-KCXAZCMYSA-N 1 1 341.415 0.661 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@H+]1Cc1ccccc1C#N ZINC001088795390 755718327 /nfs/dbraw/zinc/71/83/27/755718327.db2.gz AWWOOXKGPUCPSB-KCXAZCMYSA-N 1 1 341.415 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C)o2)CC1 ZINC001010157593 755734198 /nfs/dbraw/zinc/73/41/98/755734198.db2.gz VRZIOAMHAGQBPC-HNNXBMFYSA-N 1 1 329.400 0.970 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C)o2)CC1 ZINC001010157593 755734199 /nfs/dbraw/zinc/73/41/99/755734199.db2.gz VRZIOAMHAGQBPC-HNNXBMFYSA-N 1 1 329.400 0.970 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CN3CCOCC3)C2)nn1 ZINC001098658383 755753366 /nfs/dbraw/zinc/75/33/66/755753366.db2.gz FUIADOFKEFYKAT-MRXNPFEDSA-N 1 1 348.451 0.049 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990722947 755759732 /nfs/dbraw/zinc/75/97/32/755759732.db2.gz NUFBXHBHNZFEOY-CQSZACIVSA-N 1 1 329.404 0.701 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)[C@@H](O)C1 ZINC001083509103 755780092 /nfs/dbraw/zinc/78/00/92/755780092.db2.gz OXIUMTDSBPUKDH-KSZLIROESA-N 1 1 328.412 0.910 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)[C@@H](O)C1 ZINC001083509103 755780095 /nfs/dbraw/zinc/78/00/95/755780095.db2.gz OXIUMTDSBPUKDH-KSZLIROESA-N 1 1 328.412 0.910 20 30 ECEDMO C=CCCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CC(N)=O)CC1 ZINC001105673268 755794438 /nfs/dbraw/zinc/79/44/38/755794438.db2.gz JEPJOYUCOUWTCI-CALCHBBNSA-N 1 1 348.491 0.968 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(C#N)n1 ZINC001105675610 755833014 /nfs/dbraw/zinc/83/30/14/755833014.db2.gz MNQORXSYSUDNDD-KBPBESRZSA-N 1 1 330.436 0.809 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@H]12 ZINC000990761177 755844980 /nfs/dbraw/zinc/84/49/80/755844980.db2.gz IALJQGYBCLTENG-GUYCJALGSA-N 1 1 346.435 0.456 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)cc1 ZINC001010249825 755881134 /nfs/dbraw/zinc/88/11/34/755881134.db2.gz CVPXTGXXKSRRSZ-WBVHZDCISA-N 1 1 345.399 0.695 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083526151 755920176 /nfs/dbraw/zinc/92/01/76/755920176.db2.gz DOPOGCKXEIRNQW-INMHGKMJSA-N 1 1 333.432 0.876 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 ZINC001105679845 755969523 /nfs/dbraw/zinc/96/95/23/755969523.db2.gz IDMGYJRAKPUUHT-BHYGNILZSA-N 1 1 346.475 0.271 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2ncccn2)[C@@H](O)C1 ZINC001083539060 756024352 /nfs/dbraw/zinc/02/43/52/756024352.db2.gz FGXOWHXKNWOUIV-PMPSAXMXSA-N 1 1 345.447 0.573 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001010399200 756083350 /nfs/dbraw/zinc/08/33/50/756083350.db2.gz CTYCWFOGHWUIGT-ZIAGYGMSSA-N 1 1 331.420 0.618 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001010399200 756083356 /nfs/dbraw/zinc/08/33/56/756083356.db2.gz CTYCWFOGHWUIGT-ZIAGYGMSSA-N 1 1 331.420 0.618 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCNC4=O)[C@@H]3C2)c1 ZINC001076124666 756113362 /nfs/dbraw/zinc/11/33/62/756113362.db2.gz LWYQYFLUVYHXGU-GVDBMIGSSA-N 1 1 338.411 0.727 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001010598005 756293557 /nfs/dbraw/zinc/29/35/57/756293557.db2.gz YFDYCKQORQIIBQ-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001010598005 756293559 /nfs/dbraw/zinc/29/35/59/756293559.db2.gz YFDYCKQORQIIBQ-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001076262540 756298885 /nfs/dbraw/zinc/29/88/85/756298885.db2.gz IYUFNDXYCDFIDU-XZDPQHSOSA-N 1 1 333.432 0.389 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001076262540 756298890 /nfs/dbraw/zinc/29/88/90/756298890.db2.gz IYUFNDXYCDFIDU-XZDPQHSOSA-N 1 1 333.432 0.389 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc(F)c2)CC1 ZINC001010625752 756320192 /nfs/dbraw/zinc/32/01/92/756320192.db2.gz RALUHXHNEDGPGY-HNNXBMFYSA-N 1 1 344.390 0.603 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc(F)c2)CC1 ZINC001010625752 756320199 /nfs/dbraw/zinc/32/01/99/756320199.db2.gz RALUHXHNEDGPGY-HNNXBMFYSA-N 1 1 344.390 0.603 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076312012 756354829 /nfs/dbraw/zinc/35/48/29/756354829.db2.gz LDLGYIHKJYTDAM-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076312012 756354834 /nfs/dbraw/zinc/35/48/34/756354834.db2.gz LDLGYIHKJYTDAM-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1 ZINC001076401086 756474558 /nfs/dbraw/zinc/47/45/58/756474558.db2.gz IFHCIZHTMORABF-JKSUJKDBSA-N 1 1 330.432 0.969 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076412143 756483206 /nfs/dbraw/zinc/48/32/06/756483206.db2.gz QISASHVYVMLLJL-YQQAZPJKSA-N 1 1 343.431 0.484 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001010765523 756496982 /nfs/dbraw/zinc/49/69/82/756496982.db2.gz GPNQGXBGVKDRQF-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001010765523 756496983 /nfs/dbraw/zinc/49/69/83/756496983.db2.gz GPNQGXBGVKDRQF-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)nn3)[C@@H]2C1 ZINC001076446840 756540064 /nfs/dbraw/zinc/54/00/64/756540064.db2.gz CWNBNOPTYCXSKZ-GOEBONIOSA-N 1 1 325.416 0.856 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)nn3)[C@@H]2C1 ZINC001076446840 756540067 /nfs/dbraw/zinc/54/00/67/756540067.db2.gz CWNBNOPTYCXSKZ-GOEBONIOSA-N 1 1 325.416 0.856 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001010809505 756550881 /nfs/dbraw/zinc/55/08/81/756550881.db2.gz FIRITEBSQXIKGB-ZIAGYGMSSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001010809505 756550884 /nfs/dbraw/zinc/55/08/84/756550884.db2.gz FIRITEBSQXIKGB-ZIAGYGMSSA-N 1 1 331.420 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC001010834939 756581490 /nfs/dbraw/zinc/58/14/90/756581490.db2.gz BSAAIZIPAIZEHE-HOTGVXAUSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC001010834939 756581495 /nfs/dbraw/zinc/58/14/95/756581495.db2.gz BSAAIZIPAIZEHE-HOTGVXAUSA-N 1 1 333.432 0.181 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010837597 756585099 /nfs/dbraw/zinc/58/50/99/756585099.db2.gz DEOJSZMWAIMJNA-KGLIPLIRSA-N 1 1 344.371 0.366 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010837597 756585100 /nfs/dbraw/zinc/58/51/00/756585100.db2.gz DEOJSZMWAIMJNA-KGLIPLIRSA-N 1 1 344.371 0.366 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001076506293 756590452 /nfs/dbraw/zinc/59/04/52/756590452.db2.gz QKCQNNFSZWOJOO-HNNXBMFYSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cncc(C)c2)CC1 ZINC001010876040 756630915 /nfs/dbraw/zinc/63/09/15/756630915.db2.gz VPNXSUWUXPPIIV-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cncc(C)c2)CC1 ZINC001010876040 756630921 /nfs/dbraw/zinc/63/09/21/756630921.db2.gz VPNXSUWUXPPIIV-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@H]12 ZINC000991655771 762485123 /nfs/dbraw/zinc/48/51/23/762485123.db2.gz MSPVCRABUMNGLZ-GUYCJALGSA-N 1 1 332.404 0.638 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010925504 756675262 /nfs/dbraw/zinc/67/52/62/756675262.db2.gz RKVYMBGSLQPONL-TZMCWYRMSA-N 1 1 329.404 0.368 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001076575905 756675699 /nfs/dbraw/zinc/67/56/99/756675699.db2.gz NCKHBUFBIBNLIS-STQMWFEESA-N 1 1 334.424 0.040 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)[C@@H]2C1 ZINC001076587573 756690666 /nfs/dbraw/zinc/69/06/66/756690666.db2.gz QEKXLOXVSWNWMK-GOEBONIOSA-N 1 1 327.384 0.330 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)[C@@H]2C1 ZINC001076587459 756691160 /nfs/dbraw/zinc/69/11/60/756691160.db2.gz KKXTWIZRCATUHZ-GOEBONIOSA-N 1 1 329.400 0.883 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1c1cncc(C#N)n1 ZINC001060125274 756692228 /nfs/dbraw/zinc/69/22/28/756692228.db2.gz PLRDPJLFWHDXDQ-GJZGRUSLSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001076589539 756696077 /nfs/dbraw/zinc/69/60/77/756696077.db2.gz HPGRCSBPJDJLHE-QWHCGFSZSA-N 1 1 334.424 0.040 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccn(C)n1 ZINC001076594628 756704295 /nfs/dbraw/zinc/70/42/95/756704295.db2.gz VEYUYIKFIDXYKG-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccn(C)n1 ZINC001076594628 756704298 /nfs/dbraw/zinc/70/42/98/756704298.db2.gz VEYUYIKFIDXYKG-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001076598591 756713506 /nfs/dbraw/zinc/71/35/06/756713506.db2.gz IMDRLBKQDZSEFH-NSHDSACASA-N 1 1 328.376 0.716 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)[C@@H]2C1 ZINC001076600924 756717199 /nfs/dbraw/zinc/71/71/99/756717199.db2.gz WWSRMPFYYVMINS-ARFHVFGLSA-N 1 1 327.432 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001010987300 756729325 /nfs/dbraw/zinc/72/93/25/756729325.db2.gz SIEYMVIGDVCJKZ-HNNXBMFYSA-N 1 1 342.399 0.169 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001010987300 756729326 /nfs/dbraw/zinc/72/93/26/756729326.db2.gz SIEYMVIGDVCJKZ-HNNXBMFYSA-N 1 1 342.399 0.169 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccc(C)o2)CC1 ZINC001011021272 756775886 /nfs/dbraw/zinc/77/58/86/756775886.db2.gz XUAFDQFRCPCYAZ-KRWDZBQOSA-N 1 1 343.427 0.899 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccc(C)o2)CC1 ZINC001011021272 756775888 /nfs/dbraw/zinc/77/58/88/756775888.db2.gz XUAFDQFRCPCYAZ-KRWDZBQOSA-N 1 1 343.427 0.899 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011027875 756789441 /nfs/dbraw/zinc/78/94/41/756789441.db2.gz GOFNPFVKPPUUPP-DOMZBBRYSA-N 1 1 329.404 0.368 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2coc(C)n2)CC1 ZINC001011042533 756820880 /nfs/dbraw/zinc/82/08/80/756820880.db2.gz LVUNVCIKJXYCLJ-HNNXBMFYSA-N 1 1 330.388 0.365 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2coc(C)n2)CC1 ZINC001011042533 756820890 /nfs/dbraw/zinc/82/08/90/756820890.db2.gz LVUNVCIKJXYCLJ-HNNXBMFYSA-N 1 1 330.388 0.365 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)c[nH]1 ZINC000990935083 756908285 /nfs/dbraw/zinc/90/82/85/756908285.db2.gz IWOSUEINOOCZIO-AWEZNQCLSA-N 1 1 338.371 0.601 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)c[nH]1 ZINC000990935782 756914916 /nfs/dbraw/zinc/91/49/16/756914916.db2.gz PIBNREBPAUKLQE-BBRMVZONSA-N 1 1 341.415 0.701 20 30 ECEDMO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)o1 ZINC001048771970 756945400 /nfs/dbraw/zinc/94/54/00/756945400.db2.gz RVTOKEAQXFKRHK-TXEJJXNPSA-N 1 1 326.360 0.782 20 30 ECEDMO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)o1 ZINC001048771970 756945406 /nfs/dbraw/zinc/94/54/06/756945406.db2.gz RVTOKEAQXFKRHK-TXEJJXNPSA-N 1 1 326.360 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO1)C2 ZINC000996114574 756977691 /nfs/dbraw/zinc/97/76/91/756977691.db2.gz VNQFUCYJPZFJKE-XAJHFOFHSA-N 1 1 345.443 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO1)C2 ZINC000996114574 756977697 /nfs/dbraw/zinc/97/76/97/756977697.db2.gz VNQFUCYJPZFJKE-XAJHFOFHSA-N 1 1 345.443 0.511 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)c(OC)c2C)[C@@H](O)C1 ZINC001083553429 757000821 /nfs/dbraw/zinc/00/08/21/757000821.db2.gz COABILGUHJZJSW-CABCVRRESA-N 1 1 332.400 0.810 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)c3cnnn3C)C[C@H]2C1 ZINC001048797956 757031456 /nfs/dbraw/zinc/03/14/56/757031456.db2.gz PDJYYJLRHRFJSP-PHIMTYICSA-N 1 1 340.225 0.728 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)c3cnnn3C)C[C@H]2C1 ZINC001048797956 757031461 /nfs/dbraw/zinc/03/14/61/757031461.db2.gz PDJYYJLRHRFJSP-PHIMTYICSA-N 1 1 340.225 0.728 20 30 ECEDMO CCO[C@H](C[NH+]1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1)C1CC1 ZINC001107149807 757052954 /nfs/dbraw/zinc/05/29/54/757052954.db2.gz RAWKVALPUHFSGO-MLGOLLRUSA-N 1 1 346.435 0.726 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]2C1 ZINC001048822551 757110733 /nfs/dbraw/zinc/11/07/33/757110733.db2.gz LVVZUEGPFKGHOM-OKILXGFUSA-N 1 1 333.432 0.738 20 30 ECEDMO C=CCOCCCC(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107152809 757112159 /nfs/dbraw/zinc/11/21/59/757112159.db2.gz IQUCFSKEYQJTRF-UHFFFAOYSA-N 1 1 337.424 0.116 20 30 ECEDMO C#CCCCCC(=O)NCc1cn(C2C[NH+](C[C@H](C)OC)C2)nn1 ZINC001107163071 757196087 /nfs/dbraw/zinc/19/60/87/757196087.db2.gz ZNXXRVLYKPTRAJ-AWEZNQCLSA-N 1 1 333.436 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3nncn3C)C(C)(C)C2)c1 ZINC000996275893 757220147 /nfs/dbraw/zinc/22/01/47/757220147.db2.gz UDYKMQHFFOKYGP-HNNXBMFYSA-N 1 1 338.415 0.832 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@H]2C1 ZINC001048869741 757237294 /nfs/dbraw/zinc/23/72/94/757237294.db2.gz DJHJFIIDNPKVCF-OWCLPIDISA-N 1 1 325.416 0.469 20 30 ECEDMO Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855752 757398276 /nfs/dbraw/zinc/39/82/76/757398276.db2.gz LOASZRZMONAWJB-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855752 757398287 /nfs/dbraw/zinc/39/82/87/757398287.db2.gz LOASZRZMONAWJB-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)c1 ZINC001076855867 757398799 /nfs/dbraw/zinc/39/87/99/757398799.db2.gz QPNDZECIDPJATA-DAXOMENPSA-N 1 1 332.404 0.478 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C[C@H]2C1 ZINC001048925394 757429470 /nfs/dbraw/zinc/42/94/70/757429470.db2.gz SBCJSHBBJUEDRR-MELADBBJSA-N 1 1 340.855 0.920 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3OCC(N)=O)C[C@H]2C1 ZINC001048929297 757440309 /nfs/dbraw/zinc/44/03/09/757440309.db2.gz TVMDLAKXEAWEMK-GASCZTMLSA-N 1 1 341.411 0.578 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)cc1 ZINC001076885847 757466576 /nfs/dbraw/zinc/46/65/76/757466576.db2.gz PCOJJRDXKYSIFA-ZACQAIPSSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)cc1 ZINC001076885847 757466581 /nfs/dbraw/zinc/46/65/81/757466581.db2.gz PCOJJRDXKYSIFA-ZACQAIPSSA-N 1 1 329.400 0.789 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 ZINC001048940358 757471952 /nfs/dbraw/zinc/47/19/52/757471952.db2.gz JLEMJGDTOUQBNQ-QXSJWSMHSA-N 1 1 333.432 0.213 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3coc4c3C(=O)NCCC4)C[C@H]2C1 ZINC001048948053 757489730 /nfs/dbraw/zinc/48/97/30/757489730.db2.gz UVPBPFPKQVOCEH-OKILXGFUSA-N 1 1 341.411 0.983 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cn(C)nn3)C(C)(C)C2)nn1 ZINC000996387798 757513490 /nfs/dbraw/zinc/51/34/90/757513490.db2.gz FGQVGGOAFHRCIX-CQSZACIVSA-N 1 1 344.423 0.233 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@H]2C1 ZINC001048964713 757535387 /nfs/dbraw/zinc/53/53/87/757535387.db2.gz GKJRKWBYGMFNLD-SOUVJXGZSA-N 1 1 328.416 0.941 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4c[nH]nc4C)C[C@H]3C2)C1=O ZINC001048971122 757554391 /nfs/dbraw/zinc/55/43/91/757554391.db2.gz VDKBSQIBXVBNHP-LZWOXQAQSA-N 1 1 343.431 0.509 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O ZINC001048972747 757557808 /nfs/dbraw/zinc/55/78/08/757557808.db2.gz ARWFWIXDYKMFIF-IKGGRYGDSA-N 1 1 349.475 0.550 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]2C1 ZINC001048975453 757574591 /nfs/dbraw/zinc/57/45/91/757574591.db2.gz ZELHMOYBKMHREP-BETUJISGSA-N 1 1 333.436 0.601 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]2C1 ZINC001048975453 757574598 /nfs/dbraw/zinc/57/45/98/757574598.db2.gz ZELHMOYBKMHREP-BETUJISGSA-N 1 1 333.436 0.601 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@H]3C2)s1 ZINC001048977596 757582522 /nfs/dbraw/zinc/58/25/22/757582522.db2.gz FIVCQZBNKVUMCH-ZOWXZIJZSA-N 1 1 344.440 0.646 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC001021555778 757598592 /nfs/dbraw/zinc/59/85/92/757598592.db2.gz NHRBTGALWAAQDY-GDBMZVCRSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000996444027 757616868 /nfs/dbraw/zinc/61/68/68/757616868.db2.gz UYZWXFXOUHTZOT-BMFZPTHFSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4cnoc4)C[C@H]3C2)C1=O ZINC001049001954 757657234 /nfs/dbraw/zinc/65/72/34/757657234.db2.gz MHBXPXLWRTWWCA-XHSDSOJGSA-N 1 1 344.415 0.394 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001049003434 757662730 /nfs/dbraw/zinc/66/27/30/757662730.db2.gz JQYFOTVNSQPZIC-HOTGVXAUSA-N 1 1 335.448 0.304 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021605092 757678061 /nfs/dbraw/zinc/67/80/61/757678061.db2.gz JVFZICVTZMDVEX-HZPDHXFCSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021605093 757678092 /nfs/dbraw/zinc/67/80/92/757678092.db2.gz JVFZICVTZMDVEX-JKSUJKDBSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001021611403 757684325 /nfs/dbraw/zinc/68/43/25/757684325.db2.gz PMMFYYRTGSUBFD-GJZGRUSLSA-N 1 1 338.415 0.992 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)C1 ZINC001107210482 757692587 /nfs/dbraw/zinc/69/25/87/757692587.db2.gz KMOOWBLXYGSWOX-VQTKUKTRSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)C1 ZINC001107210482 757692591 /nfs/dbraw/zinc/69/25/91/757692591.db2.gz KMOOWBLXYGSWOX-VQTKUKTRSA-N 1 1 330.392 0.153 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)C[N@H+]3CC[C@@H](C)C3)nn2)C1 ZINC001107210828 757697136 /nfs/dbraw/zinc/69/71/36/757697136.db2.gz FFGJSPOMYRJGKN-CQSZACIVSA-N 1 1 330.436 0.116 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021623764 757703374 /nfs/dbraw/zinc/70/33/74/757703374.db2.gz PUOIIGWOLZQNOE-LSDHHAIUSA-N 1 1 346.431 0.838 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021632767 757713211 /nfs/dbraw/zinc/71/32/11/757713211.db2.gz MGXVJXMLGRDCFK-CVEARBPZSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001021633791 757715862 /nfs/dbraw/zinc/71/58/62/757715862.db2.gz UMCJPPLYUSAUGN-DZGCQCFKSA-N 1 1 329.400 0.943 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001021652375 757741642 /nfs/dbraw/zinc/74/16/42/757741642.db2.gz JMHHRTHSFMKXHE-IAGOWNOFSA-N 1 1 348.491 0.697 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](CCn4cccn4)C[C@@H]3C2)c1 ZINC001049047268 757773437 /nfs/dbraw/zinc/77/34/37/757773437.db2.gz COZIOIZLHAKFAG-HDICACEKSA-N 1 1 335.411 0.963 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021691101 757789600 /nfs/dbraw/zinc/78/96/00/757789600.db2.gz NFWHYHRVBUGWQN-DZGCQCFKSA-N 1 1 331.416 0.375 20 30 ECEDMO C=CCN1CC(n2cc(CNC(=O)Cn3cc[nH+]c3C(C)C)nn2)C1 ZINC001107215066 757790893 /nfs/dbraw/zinc/79/08/93/757790893.db2.gz BASHAOHOIZYWJY-UHFFFAOYSA-N 1 1 343.435 0.957 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)COC[C@@H]3CCOC3)nn2)C1 ZINC001107215419 757792632 /nfs/dbraw/zinc/79/26/32/757792632.db2.gz GWANNNBSZZAANN-CQSZACIVSA-N 1 1 349.435 0.380 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3cn[nH]c3)nn2)C1 ZINC001107220089 757839082 /nfs/dbraw/zinc/83/90/82/757839082.db2.gz YHZKJCGGECCIIK-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001021711185 757845574 /nfs/dbraw/zinc/84/55/74/757845574.db2.gz TWLBAYJRXAXUDJ-KBPBESRZSA-N 1 1 346.431 0.263 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccn[nH]3)[C@H]2C)CC1 ZINC001011520681 757874003 /nfs/dbraw/zinc/87/40/03/757874003.db2.gz CGWZOQKWZDBHLZ-ZFWWWQNUSA-N 1 1 343.431 0.474 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C)no3)C[C@@H]2C1 ZINC001049069691 757875560 /nfs/dbraw/zinc/87/55/60/757875560.db2.gz MBHOWHMJMOTXNP-BARDWOONSA-N 1 1 332.404 0.859 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C)no3)C[C@@H]2C1 ZINC001049069691 757875565 /nfs/dbraw/zinc/87/55/65/757875565.db2.gz MBHOWHMJMOTXNP-BARDWOONSA-N 1 1 332.404 0.859 20 30 ECEDMO C=C(Cl)CN1CC(n2cc(CNC(=O)CC[N@H+](C)CC)nn2)C1 ZINC001107226389 757881395 /nfs/dbraw/zinc/88/13/95/757881395.db2.gz SZBLEOGFMKMHOL-UHFFFAOYSA-N 1 1 340.859 0.845 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]2C1 ZINC001049093104 757942865 /nfs/dbraw/zinc/94/28/65/757942865.db2.gz VVFOMWSRZPUAJC-GASCZTMLSA-N 1 1 326.462 0.778 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4nocc4C)C[C@@H]3C2)nn1 ZINC001049103254 757964163 /nfs/dbraw/zinc/96/41/63/757964163.db2.gz JSYCAMVYEQMSPV-OKILXGFUSA-N 1 1 342.403 0.965 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nocc4C)C[C@@H]3C2)nn1 ZINC001049103254 757964172 /nfs/dbraw/zinc/96/41/72/757964172.db2.gz JSYCAMVYEQMSPV-OKILXGFUSA-N 1 1 342.403 0.965 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2C1 ZINC001049104865 757969658 /nfs/dbraw/zinc/96/96/58/757969658.db2.gz WGCFRUGLGXYHMD-IVSAIRAKSA-N 1 1 335.448 0.494 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049111529 757987639 /nfs/dbraw/zinc/98/76/39/757987639.db2.gz LVVLSCWWHTYAPV-PMPSAXMXSA-N 1 1 349.475 0.408 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001049111859 757988938 /nfs/dbraw/zinc/98/89/38/757988938.db2.gz VJZBDDQILSKKFN-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001077047233 758035844 /nfs/dbraw/zinc/03/58/44/758035844.db2.gz AGPCEKAXCPXGNK-RBSFLKMASA-N 1 1 335.448 0.208 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCCCC(=O)NC)nn2)C1 ZINC001107240650 758041463 /nfs/dbraw/zinc/04/14/63/758041463.db2.gz DNIZAMJCQVSKRG-UHFFFAOYSA-N 1 1 348.451 0.634 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnccn3)CCC[C@@H]12 ZINC001107261998 758089527 /nfs/dbraw/zinc/08/95/27/758089527.db2.gz DPDYORAGWJGOKA-CRAIPNDOSA-N 1 1 341.415 0.200 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2cccc3OC)C1 ZINC001077082646 758115594 /nfs/dbraw/zinc/11/55/94/758115594.db2.gz UPWJLVSTQKRQAP-UKRRQHHQSA-N 1 1 328.372 0.141 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2cccc3OC)C1 ZINC001077082646 758115599 /nfs/dbraw/zinc/11/55/99/758115599.db2.gz UPWJLVSTQKRQAP-UKRRQHHQSA-N 1 1 328.372 0.141 20 30 ECEDMO Cn1cc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)cn1 ZINC001107275810 758134097 /nfs/dbraw/zinc/13/40/97/758134097.db2.gz HNHFBWYZYWPLQG-RHSMWYFYSA-N 1 1 344.419 0.034 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccsn1 ZINC001077088401 758155193 /nfs/dbraw/zinc/15/51/93/758155193.db2.gz SSSXAFQEVGPFNB-JSGCOSHPSA-N 1 1 334.445 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccsn1 ZINC001077088401 758155203 /nfs/dbraw/zinc/15/52/03/758155203.db2.gz SSSXAFQEVGPFNB-JSGCOSHPSA-N 1 1 334.445 0.865 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC001011626613 758163645 /nfs/dbraw/zinc/16/36/45/758163645.db2.gz SZBABEJJYPYKNK-BXUZGUMPSA-N 1 1 340.387 0.811 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cc4nnc[nH]4)C[C@H]3C2)s1 ZINC001049163138 758184998 /nfs/dbraw/zinc/18/49/98/758184998.db2.gz NVXIAYPEXSYSEK-TXEJJXNPSA-N 1 1 342.428 0.871 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC001049169321 758201404 /nfs/dbraw/zinc/20/14/04/758201404.db2.gz MUFXGKMLLUYHHG-TXEJJXNPSA-N 1 1 340.811 0.023 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]3C2)nc1 ZINC001049177765 758231833 /nfs/dbraw/zinc/23/18/33/758231833.db2.gz MXSBGPLKCWODCM-BMFZPTHFSA-N 1 1 340.427 0.543 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001049177989 758234272 /nfs/dbraw/zinc/23/42/72/758234272.db2.gz XZDWJSGBEINIGI-SOUVJXGZSA-N 1 1 329.400 0.478 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCOC3)CCC[C@@H]12 ZINC001107318292 758257150 /nfs/dbraw/zinc/25/71/50/758257150.db2.gz LQQHANVGVSKBTP-IIDMSEBBSA-N 1 1 335.448 0.686 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCOC3)CCC[C@@H]12 ZINC001107318847 758258683 /nfs/dbraw/zinc/25/86/83/758258683.db2.gz BCHUMSVQWNNLII-FRQCXROJSA-N 1 1 347.459 0.523 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001077124657 758287310 /nfs/dbraw/zinc/28/73/10/758287310.db2.gz BCPMDSIPYKOGTP-HOTGVXAUSA-N 1 1 333.432 0.135 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001077124657 758287315 /nfs/dbraw/zinc/28/73/15/758287315.db2.gz BCPMDSIPYKOGTP-HOTGVXAUSA-N 1 1 333.432 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nccs1 ZINC001077125420 758289926 /nfs/dbraw/zinc/28/99/26/758289926.db2.gz UUGLUTGJZCROBP-STQMWFEESA-N 1 1 334.445 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nccs1 ZINC001077125420 758289934 /nfs/dbraw/zinc/28/99/34/758289934.db2.gz UUGLUTGJZCROBP-STQMWFEESA-N 1 1 334.445 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H](C)COC ZINC001077125594 758292540 /nfs/dbraw/zinc/29/25/40/758292540.db2.gz YODNUCJYLYQTGQ-PMPSAXMXSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H](C)COC ZINC001077125594 758292550 /nfs/dbraw/zinc/29/25/50/758292550.db2.gz YODNUCJYLYQTGQ-PMPSAXMXSA-N 1 1 337.464 0.768 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001049206458 758302697 /nfs/dbraw/zinc/30/26/97/758302697.db2.gz BSWDJYUUABEEMV-HZSPNIEDSA-N 1 1 334.420 0.331 20 30 ECEDMO COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC001107363997 758374706 /nfs/dbraw/zinc/37/47/06/758374706.db2.gz ZHXUGNAVJOEFDD-QGPMSJSTSA-N 1 1 346.431 0.868 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1O ZINC001077158415 758375218 /nfs/dbraw/zinc/37/52/18/758375218.db2.gz DMWTUWBREZSDFK-FGTMMUONSA-N 1 1 342.443 0.149 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1O ZINC001077158415 758375226 /nfs/dbraw/zinc/37/52/26/758375226.db2.gz DMWTUWBREZSDFK-FGTMMUONSA-N 1 1 342.443 0.149 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001077158866 758376889 /nfs/dbraw/zinc/37/68/89/758376889.db2.gz BYKLMBNCPYQGOX-VQHPVUNQSA-N 1 1 346.431 0.072 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)Cc3nc(C4CC4)nn3C)C[C@H]2C1 ZINC001049226134 758382034 /nfs/dbraw/zinc/38/20/34/758382034.db2.gz BSXRWIHXLDKNKQ-GASCZTMLSA-N 1 1 327.432 0.649 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001077160985 758383957 /nfs/dbraw/zinc/38/39/57/758383957.db2.gz ALQIYVCTIBZGFG-KLHDSHLOSA-N 1 1 348.447 0.625 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001077165658 758397564 /nfs/dbraw/zinc/39/75/64/758397564.db2.gz XTUSADUUAYZDPD-QLFBSQMISA-N 1 1 331.420 0.183 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107377228 758405815 /nfs/dbraw/zinc/40/58/15/758405815.db2.gz AWZJPUYWNLVEOO-ATZDWAIDSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3cccc(C(N)=O)n3)C[C@H]2C1 ZINC001049239223 758413352 /nfs/dbraw/zinc/41/33/52/758413352.db2.gz YIHPIKZFVURBJU-TXEJJXNPSA-N 1 1 334.807 0.937 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12 ZINC001107398395 758465305 /nfs/dbraw/zinc/46/53/05/758465305.db2.gz SHOLQYOHIPOFPX-CRAIPNDOSA-N 1 1 328.416 0.400 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NCC=CCNc2ccnc(C#N)n2)no1 ZINC001107402263 758472112 /nfs/dbraw/zinc/47/21/12/758472112.db2.gz GSRWGUZKMHODEP-ARJAWSKDSA-N 1 1 341.375 0.218 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(=O)COC)CCC[C@@H]12 ZINC001107417718 758502487 /nfs/dbraw/zinc/50/24/87/758502487.db2.gz OBLHHVZTJGUNHY-HDMKZQKVSA-N 1 1 335.448 0.522 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)NC2CC2)[nH]1 ZINC001049426296 758671053 /nfs/dbraw/zinc/67/10/53/758671053.db2.gz UIMINUWUYMARAE-HOTGVXAUSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)NC2CC2)[nH]1 ZINC001049426296 758671055 /nfs/dbraw/zinc/67/10/55/758671055.db2.gz UIMINUWUYMARAE-HOTGVXAUSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)NC2CC2)[nH]1 ZINC001049426294 758671171 /nfs/dbraw/zinc/67/11/71/758671171.db2.gz UIMINUWUYMARAE-CVEARBPZSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)NC2CC2)[nH]1 ZINC001049426294 758671176 /nfs/dbraw/zinc/67/11/76/758671176.db2.gz UIMINUWUYMARAE-CVEARBPZSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2n[nH]c(C)c2C)C1=O ZINC001032322613 758689067 /nfs/dbraw/zinc/68/90/67/758689067.db2.gz VJRILIOJGUTNJA-KKUMJFAQSA-N 1 1 343.431 0.712 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2n[nH]c(C)c2C)C1=O ZINC001032322613 758689076 /nfs/dbraw/zinc/68/90/76/758689076.db2.gz VJRILIOJGUTNJA-KKUMJFAQSA-N 1 1 343.431 0.712 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccc3c2O)C1 ZINC001077289236 758700629 /nfs/dbraw/zinc/70/06/29/758700629.db2.gz GFUIZQKZILXVJM-HZPDHXFCSA-N 1 1 327.384 0.879 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccc3c2O)C1 ZINC001077289236 758700634 /nfs/dbraw/zinc/70/06/34/758700634.db2.gz GFUIZQKZILXVJM-HZPDHXFCSA-N 1 1 327.384 0.879 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001077298190 758728624 /nfs/dbraw/zinc/72/86/24/758728624.db2.gz SXUYNAJNGYOQPL-HUUCEWRRSA-N 1 1 325.372 0.270 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001077298190 758728629 /nfs/dbraw/zinc/72/86/29/758728629.db2.gz SXUYNAJNGYOQPL-HUUCEWRRSA-N 1 1 325.372 0.270 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC001049466805 758762636 /nfs/dbraw/zinc/76/26/36/758762636.db2.gz KCANZQARAPARMQ-LSDHHAIUSA-N 1 1 344.415 0.017 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001049499844 758809510 /nfs/dbraw/zinc/80/95/10/758809510.db2.gz BKVJPUUXQXLYFO-QLFBSQMISA-N 1 1 331.416 0.613 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049509757 758828542 /nfs/dbraw/zinc/82/85/42/758828542.db2.gz YSIAEARIEIOUFY-HUUCEWRRSA-N 1 1 339.461 0.111 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083573537 758838084 /nfs/dbraw/zinc/83/80/84/758838084.db2.gz MFOMXSJEPUZDSG-OAGGEKHMSA-N 1 1 348.472 0.765 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001049559614 758921198 /nfs/dbraw/zinc/92/11/98/758921198.db2.gz IZBIPJBZEBBPTH-IKGGRYGDSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C(N)=O)cn1C ZINC001049572747 758944559 /nfs/dbraw/zinc/94/45/59/758944559.db2.gz NKNLORXFGCRPSL-LSDHHAIUSA-N 1 1 328.416 0.826 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049575318 758948902 /nfs/dbraw/zinc/94/89/02/758948902.db2.gz BPPHFNBELVAPFP-ZIAGYGMSSA-N 1 1 330.388 0.038 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001049579356 758956645 /nfs/dbraw/zinc/95/66/45/758956645.db2.gz GAEDMVNBPNJXNH-HRCADAONSA-N 1 1 332.448 0.866 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001049583498 758960885 /nfs/dbraw/zinc/96/08/85/758960885.db2.gz WFVBWHGBMRZKGT-BZUAXINKSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049594212 758972876 /nfs/dbraw/zinc/97/28/76/758972876.db2.gz JTOFPPSFGARGNK-WCVJEAGWSA-N 1 1 333.432 0.498 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001077413880 759028998 /nfs/dbraw/zinc/02/89/98/759028998.db2.gz LQLMUWUQHSFBOF-ZYHUDNBSSA-N 1 1 333.417 0.884 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001077413880 759029006 /nfs/dbraw/zinc/02/90/06/759029006.db2.gz LQLMUWUQHSFBOF-ZYHUDNBSSA-N 1 1 333.417 0.884 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001049739637 759152959 /nfs/dbraw/zinc/15/29/59/759152959.db2.gz QGAPBXZJOJABJX-SOUVJXGZSA-N 1 1 330.436 0.877 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001049740187 759154225 /nfs/dbraw/zinc/15/42/25/759154225.db2.gz UEOQKVXAHJXFEL-QLFBSQMISA-N 1 1 328.420 0.324 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnn(CC)n3)C2)nn1 ZINC001022835721 759156065 /nfs/dbraw/zinc/15/60/65/759156065.db2.gz BJZDOYHLDICELL-BETUJISGSA-N 1 1 344.423 0.516 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)c[nH]c1CC(N)=O ZINC001049744965 759159933 /nfs/dbraw/zinc/15/99/33/759159933.db2.gz CJGXHRQULUTVAI-LSDHHAIUSA-N 1 1 328.416 0.663 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001049769784 759183769 /nfs/dbraw/zinc/18/37/69/759183769.db2.gz QIVLXIWZYBLTLS-LSDHHAIUSA-N 1 1 346.431 0.339 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nnnc1C(C)C ZINC001049773977 759188743 /nfs/dbraw/zinc/18/87/43/759188743.db2.gz UDVPLKPMMPVKJR-HUUCEWRRSA-N 1 1 330.436 0.885 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001049783298 759199839 /nfs/dbraw/zinc/19/98/39/759199839.db2.gz SXKBRJZEZQIKBU-MPTYRVRUSA-N 1 1 335.448 0.908 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001049783298 759199844 /nfs/dbraw/zinc/19/98/44/759199844.db2.gz SXKBRJZEZQIKBU-MPTYRVRUSA-N 1 1 335.448 0.908 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049785321 759203348 /nfs/dbraw/zinc/20/33/48/759203348.db2.gz YLVYXEXBAWUUKV-QWHCGFSZSA-N 1 1 339.823 0.857 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049785321 759203350 /nfs/dbraw/zinc/20/33/50/759203350.db2.gz YLVYXEXBAWUUKV-QWHCGFSZSA-N 1 1 339.823 0.857 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001105913982 762695117 /nfs/dbraw/zinc/69/51/17/762695117.db2.gz MNCIMYVTEAXMDQ-TZMCWYRMSA-N 1 1 346.435 0.141 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049813080 759244933 /nfs/dbraw/zinc/24/49/33/759244933.db2.gz XDAJNMRSDJWRPM-LSDHHAIUSA-N 1 1 344.415 0.827 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049829161 759263240 /nfs/dbraw/zinc/26/32/40/759263240.db2.gz ANJKLMDUAZNWDO-KGLIPLIRSA-N 1 1 332.404 0.017 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn([C@H]2CCOC2)nn1 ZINC001049830339 759266097 /nfs/dbraw/zinc/26/60/97/759266097.db2.gz FPLDLOAVQBRVMX-USXIJHARSA-N 1 1 343.431 0.942 20 30 ECEDMO C#CCCOc1ccc(C(=O)NCC[NH2+]Cc2cn(C)nn2)cc1 ZINC001127014164 759311475 /nfs/dbraw/zinc/31/14/75/759311475.db2.gz DADHTSILVWAEFT-UHFFFAOYSA-N 1 1 327.388 0.737 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049883674 759343342 /nfs/dbraw/zinc/34/33/42/759343342.db2.gz JDMWGEDKZZROII-OLZOCXBDSA-N 1 1 329.404 0.831 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049886786 759350808 /nfs/dbraw/zinc/35/08/08/759350808.db2.gz URVUJODNDKXDFA-QWHCGFSZSA-N 1 1 329.404 0.831 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1NC(=O)NC1=O ZINC001049887234 759351096 /nfs/dbraw/zinc/35/10/96/759351096.db2.gz VWLWMUNHIKGKGP-HZSPNIEDSA-N 1 1 334.420 0.616 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049886789 759351739 /nfs/dbraw/zinc/35/17/39/759351739.db2.gz URVUJODNDKXDFA-STQMWFEESA-N 1 1 329.404 0.831 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(C)=O)CC2(CCOCC2)C1 ZINC000991113817 759355813 /nfs/dbraw/zinc/35/58/13/759355813.db2.gz SZHABLKSZIKJCA-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(C)=O)CC2(CCOCC2)C1 ZINC000991113817 759355823 /nfs/dbraw/zinc/35/58/23/759355823.db2.gz SZHABLKSZIKJCA-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001047636018 759364705 /nfs/dbraw/zinc/36/47/05/759364705.db2.gz KJRXFOMQIVQIRZ-HOTGVXAUSA-N 1 1 335.448 0.162 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001047636018 759364716 /nfs/dbraw/zinc/36/47/16/759364716.db2.gz KJRXFOMQIVQIRZ-HOTGVXAUSA-N 1 1 335.448 0.162 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001047649032 759408780 /nfs/dbraw/zinc/40/87/80/759408780.db2.gz KLFMLRRZQYANLA-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C(N)=O)nc1 ZINC001049926571 759411694 /nfs/dbraw/zinc/41/16/94/759411694.db2.gz CLBDIALOLYYDHC-JKSUJKDBSA-N 1 1 326.400 0.883 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4ccn[nH]4)[C@@H]3C2)C1=O ZINC001049981185 759489779 /nfs/dbraw/zinc/48/97/79/759489779.db2.gz WGEBLQVHTSUCFC-NUEKZKHPSA-N 1 1 343.431 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCCN(C(=O)c4cc[nH]n4)[C@@H]3C2)C1=O ZINC001049981185 759489781 /nfs/dbraw/zinc/48/97/81/759489781.db2.gz WGEBLQVHTSUCFC-NUEKZKHPSA-N 1 1 343.431 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cc[nH]n4)[C@@H]3C2)C1=O ZINC001049981185 759489784 /nfs/dbraw/zinc/48/97/84/759489784.db2.gz WGEBLQVHTSUCFC-NUEKZKHPSA-N 1 1 343.431 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4ccon4)[C@@H]3C2)C1=O ZINC001049984913 759497407 /nfs/dbraw/zinc/49/74/07/759497407.db2.gz FPIMCTQAXVKFPH-CWRNSKLLSA-N 1 1 344.415 0.998 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001127023397 759512057 /nfs/dbraw/zinc/51/20/57/759512057.db2.gz KNYQKMDHEOJFQF-UHFFFAOYSA-N 1 1 327.388 0.513 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(N)=O)C2 ZINC001054249295 767867790 /nfs/dbraw/zinc/86/77/90/767867790.db2.gz RCAOHWIWOOFVJL-YJBOKZPZSA-N 1 1 332.448 0.867 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H](O)C1 ZINC001083624087 759554843 /nfs/dbraw/zinc/55/48/43/759554843.db2.gz POUAQWRUEVXDAU-CVEARBPZSA-N 1 1 327.384 0.370 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H](O)C1 ZINC001083624087 759554848 /nfs/dbraw/zinc/55/48/48/759554848.db2.gz POUAQWRUEVXDAU-CVEARBPZSA-N 1 1 327.384 0.370 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001050024110 759563182 /nfs/dbraw/zinc/56/31/82/759563182.db2.gz BWHDZECMHSJRHV-DVOMOZLQSA-N 1 1 343.431 0.899 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)[nH]1 ZINC001050024456 759563705 /nfs/dbraw/zinc/56/37/05/759563705.db2.gz GURFYPPQAQHOKE-NILFDRSVSA-N 1 1 327.388 0.311 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001017344863 767873132 /nfs/dbraw/zinc/87/31/32/767873132.db2.gz OZDOGXVPYFFALQ-INIZCTEOSA-N 1 1 341.415 0.869 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(CCOC)nn3)[C@@H]2C1 ZINC001050045859 759609824 /nfs/dbraw/zinc/60/98/24/759609824.db2.gz MSDCMJJSUZAVEK-GOEBONIOSA-N 1 1 331.420 0.484 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993004403 767875308 /nfs/dbraw/zinc/87/53/08/767875308.db2.gz BKCKNLWERJBMFJ-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993004403 767875315 /nfs/dbraw/zinc/87/53/15/767875315.db2.gz BKCKNLWERJBMFJ-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3nnn(C(C)(C)C)n3)[C@@H]2C1 ZINC001050055760 759626447 /nfs/dbraw/zinc/62/64/47/759626447.db2.gz NOBSLDHHGMGTAV-UONOGXRCSA-N 1 1 330.436 0.527 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 ZINC001050138666 759781994 /nfs/dbraw/zinc/78/19/94/759781994.db2.gz PNJOWKDXTFERJP-VVLHAWIVSA-N 1 1 347.459 0.568 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 ZINC001050138866 759783991 /nfs/dbraw/zinc/78/39/91/759783991.db2.gz WRFXIRFNYDDZEQ-VVLHAWIVSA-N 1 1 347.459 0.568 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001017357517 767891681 /nfs/dbraw/zinc/89/16/81/767891681.db2.gz YHIYLYSMMDPMSQ-OAHLLOKOSA-N 1 1 335.448 0.804 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001017357517 767891688 /nfs/dbraw/zinc/89/16/88/767891688.db2.gz YHIYLYSMMDPMSQ-OAHLLOKOSA-N 1 1 335.448 0.804 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 ZINC001050163018 759834155 /nfs/dbraw/zinc/83/41/55/759834155.db2.gz CYHDKAQEXCADCW-IRSUPMPHSA-N 1 1 332.404 0.083 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001050163517 759835386 /nfs/dbraw/zinc/83/53/86/759835386.db2.gz MTWWOVCIPFNGFS-BFHYXJOUSA-N 1 1 327.450 0.129 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001050179216 759878255 /nfs/dbraw/zinc/87/82/55/759878255.db2.gz HYILUIBJSWZQHY-SQWLQELKSA-N 1 1 331.420 0.962 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)cn1 ZINC001050186947 759900291 /nfs/dbraw/zinc/90/02/91/759900291.db2.gz XKIBNTLKJRNADR-IVMMDQJWSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)cn1 ZINC001050186947 759900299 /nfs/dbraw/zinc/90/02/99/759900299.db2.gz XKIBNTLKJRNADR-IVMMDQJWSA-N 1 1 326.400 0.473 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001050196938 759919040 /nfs/dbraw/zinc/91/90/40/759919040.db2.gz RAAPYOAIFBUALW-RRFJBIMHSA-N 1 1 348.447 0.864 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1 ZINC001050200295 759925162 /nfs/dbraw/zinc/92/51/62/759925162.db2.gz LMXZQMZBGXZYSN-GXTWGEPZSA-N 1 1 330.388 0.046 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc(C(N)=O)cc3)[C@@H]2C1 ZINC001050213133 759947874 /nfs/dbraw/zinc/94/78/74/759947874.db2.gz ZPZCFZYBHKNWAC-DLBZAZTESA-N 1 1 325.412 0.884 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCN3C(N)=O)C2)s1 ZINC001032226677 759958645 /nfs/dbraw/zinc/95/86/45/759958645.db2.gz RIDNGWUZPVPURJ-AWEZNQCLSA-N 1 1 347.444 0.711 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=C)C)nn2)C1 ZINC001098672842 760028816 /nfs/dbraw/zinc/02/88/16/760028816.db2.gz JMJSXGBKKZYYNO-HOCLYGCPSA-N 1 1 331.420 0.756 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC001127032046 760044480 /nfs/dbraw/zinc/04/44/80/760044480.db2.gz PWWMNBMDJNDRPD-UHFFFAOYSA-N 1 1 328.372 0.581 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001050314283 760108603 /nfs/dbraw/zinc/10/86/03/760108603.db2.gz VBQFPQLQDWLABS-CABCVRRESA-N 1 1 334.420 0.747 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC001012517193 760157434 /nfs/dbraw/zinc/15/74/34/760157434.db2.gz DUJAKKTVQJVDEN-PBHICJAKSA-N 1 1 340.427 0.545 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nnn(C)n2)CC1 ZINC001050369486 760193808 /nfs/dbraw/zinc/19/38/08/760193808.db2.gz SAVMOUQZTMHYNZ-TUVASFSCSA-N 1 1 348.451 0.566 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000945398012 760215968 /nfs/dbraw/zinc/21/59/68/760215968.db2.gz ASVFVOFLKOFNAJ-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C ZINC000995706346 760453195 /nfs/dbraw/zinc/45/31/95/760453195.db2.gz LNGIXCZPINZLFM-GFCCVEGCSA-N 1 1 328.380 0.050 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001012648251 760484082 /nfs/dbraw/zinc/48/40/82/760484082.db2.gz LHFZJPJEOUUANK-SMDDNHRTSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001050588663 760538587 /nfs/dbraw/zinc/53/85/87/760538587.db2.gz WAWOYQAQQQXPBJ-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC000995800171 760623890 /nfs/dbraw/zinc/62/38/90/760623890.db2.gz VROXBFHTRNCLCS-CQSZACIVSA-N 1 1 328.420 0.748 20 30 ECEDMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C2 ZINC001048515276 760645437 /nfs/dbraw/zinc/64/54/37/760645437.db2.gz WNIYCMBVFYIESQ-RJZRQDKASA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C2 ZINC001048516605 760647526 /nfs/dbraw/zinc/64/75/26/760647526.db2.gz MHDXVOIQAPBNLQ-VTPLQMEGSA-N 1 1 329.404 0.733 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC000995816265 760683286 /nfs/dbraw/zinc/68/32/86/760683286.db2.gz WHJBABFFSBZAOP-HZSPNIEDSA-N 1 1 348.451 0.518 20 30 ECEDMO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001048558592 760715523 /nfs/dbraw/zinc/71/55/23/760715523.db2.gz SFAWSUUNUPWYIS-KKUMJFAQSA-N 1 1 337.464 0.713 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001048562801 760723383 /nfs/dbraw/zinc/72/33/83/760723383.db2.gz UJWDAJOWZNKGON-ILXRZTDVSA-N 1 1 335.448 0.160 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C[C@H]3CCOC3)C2)C1=O ZINC001030026840 760757190 /nfs/dbraw/zinc/75/71/90/760757190.db2.gz ILRAEVHJPLBHTB-BZUAXINKSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)C[C@H]3CCOC3)C2)C1=O ZINC001030026840 760757197 /nfs/dbraw/zinc/75/71/97/760757197.db2.gz ILRAEVHJPLBHTB-BZUAXINKSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cncc(C(N)=O)c1)C2 ZINC001048588506 760762322 /nfs/dbraw/zinc/76/23/22/760762322.db2.gz DZNINOWHTTUNDL-BZWBGLRVSA-N 1 1 326.400 0.787 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2nncs2)C(C)(C)C1 ZINC000995925674 760787450 /nfs/dbraw/zinc/78/74/50/760787450.db2.gz SWBRVAWINHAUDX-UONOGXRCSA-N 1 1 347.488 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2nncs2)C(C)(C)C1 ZINC000995925674 760787454 /nfs/dbraw/zinc/78/74/54/760787454.db2.gz SWBRVAWINHAUDX-UONOGXRCSA-N 1 1 347.488 0.962 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccccn4)C[C@H]3C2)C1=O ZINC001048644581 760846751 /nfs/dbraw/zinc/84/67/51/760846751.db2.gz AEXDRMRSDRPZOT-HLLBOEOZSA-N 1 1 340.427 0.872 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4COCCO4)C[C@H]3C2)s1 ZINC001048689744 760939162 /nfs/dbraw/zinc/93/91/62/760939162.db2.gz ADQWIYCTPOASNW-DVOMOZLQSA-N 1 1 347.440 0.925 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CCCC)C1 ZINC001077444343 760953291 /nfs/dbraw/zinc/95/32/91/760953291.db2.gz UVRLFCJDNYQQBE-IXDOHACOSA-N 1 1 339.480 0.615 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)[C@@H](O)C1 ZINC001083675063 761038375 /nfs/dbraw/zinc/03/83/75/761038375.db2.gz KDPOLLCRSBQREG-IMJJTQAJSA-N 1 1 348.447 0.665 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)C[C@@H]2C1 ZINC001048726471 761052237 /nfs/dbraw/zinc/05/22/37/761052237.db2.gz FEEYQCNXVONWML-ZIEJDFEHSA-N 1 1 344.390 0.902 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)C[C@@H]2C1 ZINC001048726471 761052242 /nfs/dbraw/zinc/05/22/42/761052242.db2.gz FEEYQCNXVONWML-ZIEJDFEHSA-N 1 1 344.390 0.902 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001017462219 768008089 /nfs/dbraw/zinc/00/80/89/768008089.db2.gz OVZNFVDFJSGFSV-AWEZNQCLSA-N 1 1 341.415 0.727 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048749756 761107658 /nfs/dbraw/zinc/10/76/58/761107658.db2.gz OALQLZZQTLPIFT-BNOWGMLFSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1c1nccnc1C#N ZINC001050903239 761110710 /nfs/dbraw/zinc/11/07/10/761110710.db2.gz ZSPOJVAWZPIUQD-IPYPFGDCSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001048754533 761118101 /nfs/dbraw/zinc/11/81/01/761118101.db2.gz USHTVBLGYZHYOZ-GJZGRUSLSA-N 1 1 332.404 0.025 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001048754697 761119605 /nfs/dbraw/zinc/11/96/05/761119605.db2.gz ZCARCDBFTUUFNZ-GJZGRUSLSA-N 1 1 332.404 0.025 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001050953315 761209957 /nfs/dbraw/zinc/20/99/57/761209957.db2.gz ZGQLUVHIZHWDIS-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001077448644 761217105 /nfs/dbraw/zinc/21/71/05/761217105.db2.gz AOYJUIBUCXQWKK-BRWVUGGUSA-N 1 1 328.412 0.964 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001077448644 761217109 /nfs/dbraw/zinc/21/71/09/761217109.db2.gz AOYJUIBUCXQWKK-BRWVUGGUSA-N 1 1 328.412 0.964 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1ncc(C)o1 ZINC001050962099 761230453 /nfs/dbraw/zinc/23/04/53/761230453.db2.gz FPWGBYFEBXXXPG-CVEARBPZSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1ncc(C)o1 ZINC001050962099 761230457 /nfs/dbraw/zinc/23/04/57/761230457.db2.gz FPWGBYFEBXXXPG-CVEARBPZSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1OC ZINC001212150468 761319928 /nfs/dbraw/zinc/31/99/28/761319928.db2.gz ZLVJJTTZMWEWAD-HUUCEWRRSA-N 1 1 337.464 0.768 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001054532375 768032578 /nfs/dbraw/zinc/03/25/78/768032578.db2.gz PHMKSNYEEMFJPQ-RISCZKNCSA-N 1 1 342.407 0.533 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054543653 768036266 /nfs/dbraw/zinc/03/62/66/768036266.db2.gz PLBZHEDUSWLSLX-RBGFHDKUSA-N 1 1 332.448 0.984 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001054566659 768043855 /nfs/dbraw/zinc/04/38/55/768043855.db2.gz BMEXDZDLJXLRTP-BXUZGUMPSA-N 1 1 345.382 0.698 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CCOCC2)c1 ZINC001051105278 761500337 /nfs/dbraw/zinc/50/03/37/761500337.db2.gz DVEQPUQUKWTIFM-GOSISDBHSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CCOCC2)c1 ZINC001051105278 761500347 /nfs/dbraw/zinc/50/03/47/761500347.db2.gz DVEQPUQUKWTIFM-GOSISDBHSA-N 1 1 343.427 0.920 20 30 ECEDMO CC#CCN1CCOC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001051110780 761509329 /nfs/dbraw/zinc/50/93/29/761509329.db2.gz JVWPLLAMXWYUMQ-HNNXBMFYSA-N 1 1 346.431 0.724 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(Cl)c(C#N)s1 ZINC001105754011 761529177 /nfs/dbraw/zinc/52/91/77/761529177.db2.gz DEGILKVBHFMUBM-IUCAKERBSA-N 1 1 343.840 0.651 20 30 ECEDMO C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001051188569 761647151 /nfs/dbraw/zinc/64/71/51/761647151.db2.gz LDJIHRAWFGBGHN-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2Cc2ccc(C#N)cc2)C1 ZINC001051242858 761747612 /nfs/dbraw/zinc/74/76/12/761747612.db2.gz YSBQUJXOCOUXMC-QZTJIDSGSA-N 1 1 342.443 0.827 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1cccc2c1CC[N@H+](CCO)C2 ZINC001051290534 761836457 /nfs/dbraw/zinc/83/64/57/761836457.db2.gz PJIPPFZHCVHUNL-IBGZPJMESA-N 1 1 341.455 0.751 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cccc3c2CC[N@H+](CCO)C3)nn1 ZINC001051301129 761851304 /nfs/dbraw/zinc/85/13/04/761851304.db2.gz ABOXWAHLWCGGLL-UHFFFAOYSA-N 1 1 341.415 0.745 20 30 ECEDMO CC#CC[N@H+]1CCc2c(CNC(=O)[C@H]3C[C@H]3C(N)=O)cccc2C1 ZINC001051299741 761851998 /nfs/dbraw/zinc/85/19/98/761851998.db2.gz BTEJMBYWYBMRMF-SJORKVTESA-N 1 1 325.412 0.806 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@@H](C[NH2+][C@H](C)c2nnnn2C)C1 ZINC001051753082 762880126 /nfs/dbraw/zinc/88/01/26/762880126.db2.gz VWXGKGLBIVOATM-OLZOCXBDSA-N 1 1 336.440 0.690 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(=O)n(CCOC)n3)CCC[C@@H]12 ZINC000991712590 762900414 /nfs/dbraw/zinc/90/04/14/762900414.db2.gz QHNYBDUAUFGEQM-CRAIPNDOSA-N 1 1 346.431 0.803 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCN(C(N)=O)C3)CCC[C@H]12 ZINC000991715985 762917978 /nfs/dbraw/zinc/91/79/78/762917978.db2.gz ZWDUJOKTZJVBDA-RLFYNMQTSA-N 1 1 332.448 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)CSC)CC1 ZINC001017539074 768094335 /nfs/dbraw/zinc/09/43/35/768094335.db2.gz VVHFGEACPSVQMP-HNNXBMFYSA-N 1 1 335.473 0.722 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)CSC)CC1 ZINC001017539074 768094343 /nfs/dbraw/zinc/09/43/43/768094343.db2.gz VVHFGEACPSVQMP-HNNXBMFYSA-N 1 1 335.473 0.722 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnn(C)c3C)C2)C1=O ZINC001014677713 762985543 /nfs/dbraw/zinc/98/55/43/762985543.db2.gz JFLXNNLBYBTLDO-JKSUJKDBSA-N 1 1 345.447 0.248 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cnn(C)c3C)C2)C1=O ZINC001014677713 762985546 /nfs/dbraw/zinc/98/55/46/762985546.db2.gz JFLXNNLBYBTLDO-JKSUJKDBSA-N 1 1 345.447 0.248 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001017544306 768099016 /nfs/dbraw/zinc/09/90/16/768099016.db2.gz MKFQSSXTWRBEKU-GZBFAFLISA-N 1 1 334.420 0.140 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001017544306 768099023 /nfs/dbraw/zinc/09/90/23/768099023.db2.gz MKFQSSXTWRBEKU-GZBFAFLISA-N 1 1 334.420 0.140 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@H](C[NH2+][C@H](C)c3nnnn3C)C2)CC1 ZINC001051803373 763001571 /nfs/dbraw/zinc/00/15/71/763001571.db2.gz MVDSWPYZYVIHJV-UKRRQHHQSA-N 1 1 348.451 0.835 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001089840191 763094178 /nfs/dbraw/zinc/09/41/78/763094178.db2.gz ZNXZVGHRJMTRHC-NHIYQJMISA-N 1 1 341.411 0.799 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnc4n3CCC4)C2)C1=O ZINC001014768342 763121831 /nfs/dbraw/zinc/12/18/31/763121831.db2.gz CEIHIEMTFHMEAJ-KGLIPLIRSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnc4n3CCC4)C2)C1=O ZINC001014768342 763121837 /nfs/dbraw/zinc/12/18/37/763121837.db2.gz CEIHIEMTFHMEAJ-KGLIPLIRSA-N 1 1 343.431 0.420 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cccc(OC)n2)C1 ZINC001014768476 763122683 /nfs/dbraw/zinc/12/26/83/763122683.db2.gz CQHKEPHTIKXSPB-SJORKVTESA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cccc(OC)n2)C1 ZINC001014768476 763122691 /nfs/dbraw/zinc/12/26/91/763122691.db2.gz CQHKEPHTIKXSPB-SJORKVTESA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2noc(C(C)C)n2)C1 ZINC001014768480 763122760 /nfs/dbraw/zinc/12/27/60/763122760.db2.gz CRDXCNOGOCVWRS-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2noc(C(C)C)n2)C1 ZINC001014768480 763122768 /nfs/dbraw/zinc/12/27/68/763122768.db2.gz CRDXCNOGOCVWRS-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(C)ncn2)C1 ZINC001014779833 763140558 /nfs/dbraw/zinc/14/05/58/763140558.db2.gz NWMHPFOOMUDBMO-WBVHZDCISA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(C)ncn2)C1 ZINC001014779833 763140563 /nfs/dbraw/zinc/14/05/63/763140563.db2.gz NWMHPFOOMUDBMO-WBVHZDCISA-N 1 1 327.432 0.573 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001017553840 768111711 /nfs/dbraw/zinc/11/17/11/768111711.db2.gz ZVKPNORLJWJREJ-LBPRGKRZSA-N 1 1 345.403 0.784 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC000991759634 763296162 /nfs/dbraw/zinc/29/61/62/763296162.db2.gz FLUWYUQFYBTJAH-HOCLYGCPSA-N 1 1 332.404 0.500 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1=O ZINC001030438948 763303222 /nfs/dbraw/zinc/30/32/22/763303222.db2.gz ODOYCNLQQBPEKE-CABCVRRESA-N 1 1 343.431 0.348 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncc(C)o3)C2)cn1 ZINC001051909792 763306262 /nfs/dbraw/zinc/30/62/62/763306262.db2.gz YZRLZJRYEMDVLL-INIZCTEOSA-N 1 1 340.383 0.990 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccnc3c2ncn3C)[C@@H](O)C1 ZINC001083769175 763323627 /nfs/dbraw/zinc/32/36/27/763323627.db2.gz IMLYWGJCENEEJG-KGLIPLIRSA-N 1 1 329.404 0.709 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC000940507136 763348646 /nfs/dbraw/zinc/34/86/46/763348646.db2.gz QNSACMDOHXPINF-ZIAGYGMSSA-N 1 1 346.435 0.279 20 30 ECEDMO N#Cc1ccccc1CNC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001051933225 763377773 /nfs/dbraw/zinc/37/77/73/763377773.db2.gz GNNGWFFXVIHAKA-GOSISDBHSA-N 1 1 342.443 0.971 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001046927463 763401564 /nfs/dbraw/zinc/40/15/64/763401564.db2.gz AODGKPHREUORBQ-QWHCGFSZSA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001046927463 763401567 /nfs/dbraw/zinc/40/15/67/763401567.db2.gz AODGKPHREUORBQ-QWHCGFSZSA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001046953134 763451949 /nfs/dbraw/zinc/45/19/49/763451949.db2.gz APKVCHYEQLOYCR-LBPRGKRZSA-N 1 1 338.358 0.444 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001046953134 763451952 /nfs/dbraw/zinc/45/19/52/763451952.db2.gz APKVCHYEQLOYCR-LBPRGKRZSA-N 1 1 338.358 0.444 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2c(C)noc2CC)C1 ZINC001030464135 763455714 /nfs/dbraw/zinc/45/57/14/763455714.db2.gz IVZLEWJATAUIHE-INIZCTEOSA-N 1 1 330.432 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2c(C)noc2CC)C1 ZINC001030464135 763455719 /nfs/dbraw/zinc/45/57/19/763455719.db2.gz IVZLEWJATAUIHE-INIZCTEOSA-N 1 1 330.432 0.943 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001046957830 763462742 /nfs/dbraw/zinc/46/27/42/763462742.db2.gz SFHPRYUGPLDYIO-GFCCVEGCSA-N 1 1 338.358 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001046957830 763462749 /nfs/dbraw/zinc/46/27/49/763462749.db2.gz SFHPRYUGPLDYIO-GFCCVEGCSA-N 1 1 338.358 0.986 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001046961367 763469151 /nfs/dbraw/zinc/46/91/51/763469151.db2.gz WHOBAGBYGOFWHC-KBPBESRZSA-N 1 1 341.402 0.999 20 30 ECEDMO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)nc1 ZINC001105995218 763474131 /nfs/dbraw/zinc/47/41/31/763474131.db2.gz PRXTZDCTQMCRSK-KGLIPLIRSA-N 1 1 340.387 0.616 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)C1 ZINC001046963776 763474745 /nfs/dbraw/zinc/47/47/45/763474745.db2.gz JISOSZRYNNPQTJ-ZIAGYGMSSA-N 1 1 344.406 0.693 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001046964894 763477039 /nfs/dbraw/zinc/47/70/39/763477039.db2.gz ZLIIDHUIQPCYCF-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001046964894 763477040 /nfs/dbraw/zinc/47/70/40/763477040.db2.gz ZLIIDHUIQPCYCF-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001046974107 763494412 /nfs/dbraw/zinc/49/44/12/763494412.db2.gz DVOUWNRJZFXNLW-RDBSUJKOSA-N 1 1 341.402 0.985 20 30 ECEDMO CN(CCOCCNc1cnc(C#N)cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001127319955 768139077 /nfs/dbraw/zinc/13/90/77/768139077.db2.gz HGHWBMVPTDJSLG-ZDUSSCGKSA-N 1 1 332.408 0.187 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001046981685 763503394 /nfs/dbraw/zinc/50/33/94/763503394.db2.gz TVZVOACRLWQICN-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001046981685 763503398 /nfs/dbraw/zinc/50/33/98/763503398.db2.gz TVZVOACRLWQICN-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 ZINC001017571232 768141112 /nfs/dbraw/zinc/14/11/12/768141112.db2.gz LQEALWFQXONADJ-BETUJISGSA-N 1 1 332.408 0.018 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001046995373 763534127 /nfs/dbraw/zinc/53/41/27/763534127.db2.gz IOCVCPOQRYCMRJ-CABCVRRESA-N 1 1 343.418 0.804 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C1CC1)C[C@H](C)O2 ZINC001111531894 763558095 /nfs/dbraw/zinc/55/80/95/763558095.db2.gz LDPJJTLUKOJJQY-AWEZNQCLSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C1CC1)C[C@@H](C)O2 ZINC001111531895 763558184 /nfs/dbraw/zinc/55/81/84/763558184.db2.gz LDPJJTLUKOJJQY-CQSZACIVSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2nccnc2C#N)C1 ZINC001047023785 763564714 /nfs/dbraw/zinc/56/47/14/763564714.db2.gz VHFKTMKLQSCKOI-XUXIUFHCSA-N 1 1 328.420 0.853 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(Cl)cnn3C)C2)CC1 ZINC001052026150 763618562 /nfs/dbraw/zinc/61/85/62/763618562.db2.gz AVVWZXZGBHAEPU-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3nccnc3C#N)C2)O1 ZINC001047071564 763628381 /nfs/dbraw/zinc/62/83/81/763628381.db2.gz QWPHNCNKDSOCKW-RGCMKSIDSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3nccnc3C#N)C2)O1 ZINC001047071564 763628384 /nfs/dbraw/zinc/62/83/84/763628384.db2.gz QWPHNCNKDSOCKW-RGCMKSIDSA-N 1 1 344.419 0.374 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnn3CCC)C2)CC1 ZINC001052032757 763635141 /nfs/dbraw/zinc/63/51/41/763635141.db2.gz JQAZAWKWZAOXBI-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)nc3C3CC3)C2)CC1 ZINC001052035295 763640304 /nfs/dbraw/zinc/64/03/04/763640304.db2.gz GYGLOUFUFJUWRR-INIZCTEOSA-N 1 1 341.459 0.763 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccn(C)n3)C2)CC1 ZINC001052036011 763646865 /nfs/dbraw/zinc/64/68/65/763646865.db2.gz WVRWTZLPCIIHEI-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4n3CCC4)C2)CC1 ZINC001052037418 763655185 /nfs/dbraw/zinc/65/51/85/763655185.db2.gz LWNOVIITXPPOOJ-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C(C)(C)C1 ZINC000941232205 763663399 /nfs/dbraw/zinc/66/33/99/763663399.db2.gz DUCGVKSYHCLAOF-IRXDYDNUSA-N 1 1 333.476 0.947 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnn3CCOC)C2)CC1 ZINC001052040767 763663921 /nfs/dbraw/zinc/66/39/21/763663921.db2.gz JWYVJGQEEJIXPX-MRXNPFEDSA-N 1 1 347.463 0.548 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccncc3)C2)CC1 ZINC001052045168 763682333 /nfs/dbraw/zinc/68/23/33/763682333.db2.gz QWYKRAZGXCITLJ-GOSISDBHSA-N 1 1 326.444 0.866 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCc4nccn4C3)C2)CC1 ZINC001052045447 763683305 /nfs/dbraw/zinc/68/33/05/763683305.db2.gz SXQSHZUDMZCUMU-JKSUJKDBSA-N 1 1 342.447 0.188 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052047045 763688633 /nfs/dbraw/zinc/68/86/33/763688633.db2.gz HNDOMJSOEADOKI-QZTJIDSGSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052046892 763688675 /nfs/dbraw/zinc/68/86/75/763688675.db2.gz GIQZYNGVZWVGSR-MSOLQXFVSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052046892 763688682 /nfs/dbraw/zinc/68/86/82/763688682.db2.gz GIQZYNGVZWVGSR-MSOLQXFVSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001052047679 763691171 /nfs/dbraw/zinc/69/11/71/763691171.db2.gz WFNCUJGCRXAUFA-SFHVURJKSA-N 1 1 344.503 0.857 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc(OC)n3)C2)CC1 ZINC001052050155 763704553 /nfs/dbraw/zinc/70/45/53/763704553.db2.gz SDOYNIFSBSXCCI-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052785 763716688 /nfs/dbraw/zinc/71/66/88/763716688.db2.gz XKYCYPRFWIWSSH-KRWDZBQOSA-N 1 1 327.432 0.261 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052054050 763719597 /nfs/dbraw/zinc/71/95/97/763719597.db2.gz XAMVINOWTLHRIQ-ZXXIGWHRSA-N 1 1 331.460 0.814 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052054050 763719604 /nfs/dbraw/zinc/71/96/04/763719604.db2.gz XAMVINOWTLHRIQ-ZXXIGWHRSA-N 1 1 331.460 0.814 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC)C3)c1 ZINC001047145693 763720459 /nfs/dbraw/zinc/72/04/59/763720459.db2.gz LUCHXIBYKWRDRL-BPUTZDHNSA-N 1 1 326.400 0.392 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)nn1 ZINC001098757702 763723568 /nfs/dbraw/zinc/72/35/68/763723568.db2.gz RONNHQHJNWRZCM-CQSZACIVSA-N 1 1 329.408 0.683 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052060401 763739960 /nfs/dbraw/zinc/73/99/60/763739960.db2.gz CUHKXZTZCXJPCG-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4cccnc34)C2)CC1 ZINC001052060677 763741944 /nfs/dbraw/zinc/74/19/44/763741944.db2.gz JUKSLLRLVYLJBF-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnc(OC)c3)C2)C1=O ZINC001015051520 763756370 /nfs/dbraw/zinc/75/63/70/763756370.db2.gz BMNMFMKXMGYWLZ-LSDHHAIUSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(OC)c3)C2)C1=O ZINC001015051520 763756376 /nfs/dbraw/zinc/75/63/76/763756376.db2.gz BMNMFMKXMGYWLZ-LSDHHAIUSA-N 1 1 344.415 0.681 20 30 ECEDMO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)[nH]c1=O ZINC001031951793 763764948 /nfs/dbraw/zinc/76/49/48/763764948.db2.gz XIQAINXWMYIQOS-UHFFFAOYSA-N 1 1 331.401 0.921 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CC3=CCOCC3)C2)CC1 ZINC001052074332 763779319 /nfs/dbraw/zinc/77/93/19/763779319.db2.gz AMSQXKPZJIDEQF-SFHVURJKSA-N 1 1 331.460 0.965 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N(C)C)C3)nc1 ZINC001047184339 763779727 /nfs/dbraw/zinc/77/97/27/763779727.db2.gz YNIQPNKGPVPZRD-JYJNAYRXSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001015064205 763791786 /nfs/dbraw/zinc/79/17/86/763791786.db2.gz HUTNOWYMQRIGAJ-WFASDCNBSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001015064205 763791789 /nfs/dbraw/zinc/79/17/89/763791789.db2.gz HUTNOWYMQRIGAJ-WFASDCNBSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052079227 763791958 /nfs/dbraw/zinc/79/19/58/763791958.db2.gz GOISZTXYLKQYQR-HOTGVXAUSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052079227 763791966 /nfs/dbraw/zinc/79/19/66/763791966.db2.gz GOISZTXYLKQYQR-HOTGVXAUSA-N 1 1 334.464 0.450 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)C1 ZINC001052084670 763809898 /nfs/dbraw/zinc/80/98/98/763809898.db2.gz WKKOGTUHSSIFRE-INIZCTEOSA-N 1 1 333.480 0.460 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C3CCN(CC#N)CC3)C2)C1 ZINC001047229413 763819089 /nfs/dbraw/zinc/81/90/89/763819089.db2.gz RADQYRDJXVYHGL-IAGOWNOFSA-N 1 1 334.464 0.791 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C3CCN(CC#N)CC3)C2)C1 ZINC001047229413 763819099 /nfs/dbraw/zinc/81/90/99/763819099.db2.gz RADQYRDJXVYHGL-IAGOWNOFSA-N 1 1 334.464 0.791 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2C[NH+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001031963870 763830243 /nfs/dbraw/zinc/83/02/43/763830243.db2.gz WWZCGFAYYIFCOB-GFCCVEGCSA-N 1 1 326.400 0.392 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C)nc3OC)C2)CC1 ZINC001052092870 763834962 /nfs/dbraw/zinc/83/49/62/763834962.db2.gz GURGVFBXFQVNFG-MRXNPFEDSA-N 1 1 342.443 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(C)c3CC)C2)C1=O ZINC001015080861 763835184 /nfs/dbraw/zinc/83/51/84/763835184.db2.gz KBXZKUKBTYTWSL-CJNGLKHVSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(C)c3CC)C2)C1=O ZINC001015080861 763835194 /nfs/dbraw/zinc/83/51/94/763835194.db2.gz KBXZKUKBTYTWSL-CJNGLKHVSA-N 1 1 345.447 0.574 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4cccnn43)C2)CC1 ZINC001052094119 763839520 /nfs/dbraw/zinc/83/95/20/763839520.db2.gz XXNBGTZJSQIWRP-KRWDZBQOSA-N 1 1 337.427 0.800 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc4nc[nH]c43)C2)CC1 ZINC001052098789 763854334 /nfs/dbraw/zinc/85/43/34/763854334.db2.gz AOUUFIBDLUCJCY-AWEZNQCLSA-N 1 1 338.415 0.919 20 30 ECEDMO C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052103878 763870230 /nfs/dbraw/zinc/87/02/30/763870230.db2.gz VPWFVCOTGUHTPV-NVXWUHKLSA-N 1 1 344.463 0.341 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4nccn4c3)C2)CC1 ZINC001052105932 763878919 /nfs/dbraw/zinc/87/89/19/763878919.db2.gz WBPAESQZKMMBHV-QGZVFWFLSA-N 1 1 337.427 0.800 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)CC1 ZINC001052106275 763879582 /nfs/dbraw/zinc/87/95/82/763879582.db2.gz GXRMNWIAERATKR-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)CC1 ZINC001052106691 763883569 /nfs/dbraw/zinc/88/35/69/763883569.db2.gz RELICOSESHXCIH-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c4cccnc34)C2)CC1 ZINC001052108222 763889968 /nfs/dbraw/zinc/88/99/68/763889968.db2.gz KYWVAUHAOXAHIR-AWEZNQCLSA-N 1 1 338.415 0.919 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CCCCC3)C2)C1=O ZINC001047287649 763890775 /nfs/dbraw/zinc/89/07/75/763890775.db2.gz YGTVAJQQEDBHFZ-ULQDDVLXSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CCCCC3)C2)C1=O ZINC001047287649 763890784 /nfs/dbraw/zinc/89/07/84/763890784.db2.gz YGTVAJQQEDBHFZ-ULQDDVLXSA-N 1 1 349.475 0.857 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccncc2C#N)C1 ZINC001106344918 768173560 /nfs/dbraw/zinc/17/35/60/768173560.db2.gz SETCKDZPSQNPGI-CJNGLKHVSA-N 1 1 331.420 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccncc2C#N)C1 ZINC001106344918 768173563 /nfs/dbraw/zinc/17/35/63/768173563.db2.gz SETCKDZPSQNPGI-CJNGLKHVSA-N 1 1 331.420 0.403 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113053 763909449 /nfs/dbraw/zinc/90/94/49/763909449.db2.gz LFJKNYWNMWRGOF-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113053 763909453 /nfs/dbraw/zinc/90/94/53/763909453.db2.gz LFJKNYWNMWRGOF-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047295137 763910541 /nfs/dbraw/zinc/91/05/41/763910541.db2.gz HUGMEGBEPHRGIC-YESZJQIVSA-N 1 1 329.400 0.741 20 30 ECEDMO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047295137 763910551 /nfs/dbraw/zinc/91/05/51/763910551.db2.gz HUGMEGBEPHRGIC-YESZJQIVSA-N 1 1 329.400 0.741 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052118971 763934972 /nfs/dbraw/zinc/93/49/72/763934972.db2.gz FCDJBBJUKMGIMW-WBVHZDCISA-N 1 1 343.475 0.919 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)CC1 ZINC001052119065 763935454 /nfs/dbraw/zinc/93/54/54/763935454.db2.gz ISNOJLJCHPTUHO-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001015121582 763938935 /nfs/dbraw/zinc/93/89/35/763938935.db2.gz VPAABLGPZVBNCW-DZGCQCFKSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001015121582 763938938 /nfs/dbraw/zinc/93/89/38/763938938.db2.gz VPAABLGPZVBNCW-DZGCQCFKSA-N 1 1 329.404 0.376 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088863752 763947632 /nfs/dbraw/zinc/94/76/32/763947632.db2.gz VXHCBQQUYSZHNP-FWYOQMDTSA-N 1 1 326.400 0.759 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC(Nc3ccc(C#N)nn3)C2)O1 ZINC001052124001 763951388 /nfs/dbraw/zinc/95/13/88/763951388.db2.gz AABHXYCBFYQULL-BNQIPGGESA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC(Nc3ccc(C#N)nn3)C2)O1 ZINC001052124001 763951394 /nfs/dbraw/zinc/95/13/94/763951394.db2.gz AABHXYCBFYQULL-BNQIPGGESA-N 1 1 344.419 0.374 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC001031988652 763998793 /nfs/dbraw/zinc/99/87/93/763998793.db2.gz INLSHJZQEMAMAQ-OAGGEKHMSA-N 1 1 335.448 0.635 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1OC ZINC001212348809 764051123 /nfs/dbraw/zinc/05/11/23/764051123.db2.gz BAHOIMILYLKRPP-BZUAXINKSA-N 1 1 344.452 0.182 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(C4CC4)n[nH]3)C2)C1=O ZINC001032001004 764065215 /nfs/dbraw/zinc/06/52/15/764065215.db2.gz GNZRKDJURCSYLY-INIZCTEOSA-N 1 1 343.431 0.736 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000942200726 764071773 /nfs/dbraw/zinc/07/17/73/764071773.db2.gz NXNLDQDIDBCHGL-OCCSQVGLSA-N 1 1 342.871 0.340 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000942200726 764071778 /nfs/dbraw/zinc/07/17/78/764071778.db2.gz NXNLDQDIDBCHGL-OCCSQVGLSA-N 1 1 342.871 0.340 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001047354139 764091316 /nfs/dbraw/zinc/09/13/16/764091316.db2.gz SJXJOSJADBBVLP-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001047354139 764091321 /nfs/dbraw/zinc/09/13/21/764091321.db2.gz SJXJOSJADBBVLP-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001077576366 764095616 /nfs/dbraw/zinc/09/56/16/764095616.db2.gz LFEMAFZPRJFCOU-IAOVAPTHSA-N 1 1 332.448 0.968 20 30 ECEDMO CN(C(=O)C1=CCOCC1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047357721 764102220 /nfs/dbraw/zinc/10/22/20/764102220.db2.gz HQWVYZFEUQNDJC-ROUUACIJSA-N 1 1 341.411 0.908 20 30 ECEDMO CN(C(=O)C1=CCOCC1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047357721 764102227 /nfs/dbraw/zinc/10/22/27/764102227.db2.gz HQWVYZFEUQNDJC-ROUUACIJSA-N 1 1 341.411 0.908 20 30 ECEDMO CN(C(=O)c1cnnn1C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047366984 764130467 /nfs/dbraw/zinc/13/04/67/764130467.db2.gz BKMKZZKSHYJASM-HOTGVXAUSA-N 1 1 340.387 0.004 20 30 ECEDMO CN(C(=O)c1cnnn1C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047366984 764130472 /nfs/dbraw/zinc/13/04/72/764130472.db2.gz BKMKZZKSHYJASM-HOTGVXAUSA-N 1 1 340.387 0.004 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001047380302 764169967 /nfs/dbraw/zinc/16/99/67/764169967.db2.gz IQGBKJKMPKWARD-PVAVHDDUSA-N 1 1 346.402 0.904 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047387343 764185146 /nfs/dbraw/zinc/18/51/46/764185146.db2.gz KJLZGKNPOIQAEP-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2[C@@H](C)CCC3)C1 ZINC001047388586 764188598 /nfs/dbraw/zinc/18/85/98/764188598.db2.gz BPWZYJJRWSHXAG-BPUTZDHNSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001047393097 764199855 /nfs/dbraw/zinc/19/98/55/764199855.db2.gz LXVDSOJJFLWIEE-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC001052290169 764200186 /nfs/dbraw/zinc/20/01/86/764200186.db2.gz LYEHOWCEKBBHDW-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC001052290170 764200242 /nfs/dbraw/zinc/20/02/42/764200242.db2.gz LYEHOWCEKBBHDW-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001047394843 764204220 /nfs/dbraw/zinc/20/42/20/764204220.db2.gz VCNQHTSUVZNMBM-HOTGVXAUSA-N 1 1 329.400 0.874 20 30 ECEDMO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001017617125 768198505 /nfs/dbraw/zinc/19/85/05/768198505.db2.gz LYBISLQLDWPRNG-BBWFWOEESA-N 1 1 332.448 0.829 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCCCC2=O)C1 ZINC001047401612 764225676 /nfs/dbraw/zinc/22/56/76/764225676.db2.gz ZDYVSPPLLTZYBU-HOTGVXAUSA-N 1 1 335.448 0.306 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(C)cn3)CC2)C1=O ZINC001052310306 764225950 /nfs/dbraw/zinc/22/59/50/764225950.db2.gz WXFHZJQLFTVCRO-ZBFHGGJFSA-N 1 1 345.447 0.791 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn3c(c2C)OCCC3)C1 ZINC001047405066 764238128 /nfs/dbraw/zinc/23/81/28/764238128.db2.gz AVHABIMVRCFUDC-KBPBESRZSA-N 1 1 334.420 0.667 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn3c(c2C)OCCC3)C1 ZINC001047405066 764238133 /nfs/dbraw/zinc/23/81/33/764238133.db2.gz AVHABIMVRCFUDC-KBPBESRZSA-N 1 1 334.420 0.667 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)[nH]1 ZINC001052321060 764245340 /nfs/dbraw/zinc/24/53/40/764245340.db2.gz ZHABCOVJDCLJEO-ZDUSSCGKSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001047407215 764247449 /nfs/dbraw/zinc/24/74/49/764247449.db2.gz FQQVALLLSWPLNC-KBPBESRZSA-N 1 1 346.431 0.125 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001047408082 764252707 /nfs/dbraw/zinc/25/27/07/764252707.db2.gz SSYBCGVYCJURTL-KBPBESRZSA-N 1 1 346.431 0.125 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001047408082 764252708 /nfs/dbraw/zinc/25/27/08/764252708.db2.gz SSYBCGVYCJURTL-KBPBESRZSA-N 1 1 346.431 0.125 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc3ncn(C)c32)C1 ZINC001047414729 764272289 /nfs/dbraw/zinc/27/22/89/764272289.db2.gz ULXCXTTXWOBVOS-GJZGRUSLSA-N 1 1 329.404 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C/C=C/Cl)C[C@@H]1O ZINC001047415038 764274090 /nfs/dbraw/zinc/27/40/90/764274090.db2.gz CXUFCKMHWRCFDQ-WBZPIZBHSA-N 1 1 325.840 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C/C=C/Cl)C[C@@H]1O ZINC001047415038 764274094 /nfs/dbraw/zinc/27/40/94/764274094.db2.gz CXUFCKMHWRCFDQ-WBZPIZBHSA-N 1 1 325.840 0.340 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn3c2CCCC3)C1 ZINC001047415567 764275599 /nfs/dbraw/zinc/27/55/99/764275599.db2.gz GRCBMZFBRZOVFR-IRXDYDNUSA-N 1 1 330.432 0.289 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn3c2CCCC3)C1 ZINC001047415567 764275602 /nfs/dbraw/zinc/27/56/02/764275602.db2.gz GRCBMZFBRZOVFR-IRXDYDNUSA-N 1 1 330.432 0.289 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC001089869685 764294905 /nfs/dbraw/zinc/29/49/05/764294905.db2.gz ZJNBFFWYYZHCDO-HPBDAGMYSA-N 1 1 341.459 0.940 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001047422620 764299458 /nfs/dbraw/zinc/29/94/58/764299458.db2.gz ZWXRQDCITRDAQO-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001047422620 764299459 /nfs/dbraw/zinc/29/94/59/764299459.db2.gz ZWXRQDCITRDAQO-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001047428774 764317764 /nfs/dbraw/zinc/31/77/64/764317764.db2.gz OHTFOLFPOIPXFF-HOTGVXAUSA-N 1 1 327.388 0.109 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001047428774 764317769 /nfs/dbraw/zinc/31/77/69/764317769.db2.gz OHTFOLFPOIPXFF-HOTGVXAUSA-N 1 1 327.388 0.109 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccc(OC)nn32)C1 ZINC001047432733 764329757 /nfs/dbraw/zinc/32/97/57/764329757.db2.gz FGLOXSHUZQKYRT-STQMWFEESA-N 1 1 331.376 0.041 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccc(OC)nn32)C1 ZINC001047432733 764329760 /nfs/dbraw/zinc/32/97/60/764329760.db2.gz FGLOXSHUZQKYRT-STQMWFEESA-N 1 1 331.376 0.041 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccc(OC)nn32)C1 ZINC001047433162 764331439 /nfs/dbraw/zinc/33/14/39/764331439.db2.gz ZRDQDPGQNHZUPQ-KBPBESRZSA-N 1 1 345.403 0.431 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001047433670 764332532 /nfs/dbraw/zinc/33/25/32/764332532.db2.gz GTFFUPMHAHRXHP-KBPBESRZSA-N 1 1 345.403 0.747 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001047435312 764336787 /nfs/dbraw/zinc/33/67/87/764336787.db2.gz IVVIZHDIXSZKPY-PMPSAXMXSA-N 1 1 332.448 0.915 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052379762 764369765 /nfs/dbraw/zinc/36/97/65/764369765.db2.gz RJRZXNJZWHSUDI-KBPBESRZSA-N 1 1 331.420 0.919 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001047450219 764382988 /nfs/dbraw/zinc/38/29/88/764382988.db2.gz NLWXPGJHMAIMBS-ULQDDVLXSA-N 1 1 328.412 0.765 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(OC)ccn23)C1 ZINC001047458302 764406152 /nfs/dbraw/zinc/40/61/52/764406152.db2.gz KUOGPSFUWQPMNT-HOTGVXAUSA-N 1 1 342.399 0.483 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001047469121 764430241 /nfs/dbraw/zinc/43/02/41/764430241.db2.gz JKOKAKITNYRFLR-GJZGRUSLSA-N 1 1 345.403 0.024 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001047469121 764430245 /nfs/dbraw/zinc/43/02/45/764430245.db2.gz JKOKAKITNYRFLR-GJZGRUSLSA-N 1 1 345.403 0.024 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)CC1 ZINC001052412203 764434041 /nfs/dbraw/zinc/43/40/41/764434041.db2.gz RPMLZISUAPQVIW-CQSZACIVSA-N 1 1 332.452 0.965 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@H]1C ZINC001088913971 764435331 /nfs/dbraw/zinc/43/53/31/764435331.db2.gz AVPCNFVETYKANY-WCXIOVBPSA-N 1 1 330.432 0.891 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001047479626 764465823 /nfs/dbraw/zinc/46/58/23/764465823.db2.gz SQUXKNUORSAZGH-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001047481414 764474225 /nfs/dbraw/zinc/47/42/25/764474225.db2.gz BSCZPOPETVGLGL-OKZBNKHCSA-N 1 1 328.412 0.827 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001047481414 764474228 /nfs/dbraw/zinc/47/42/28/764474228.db2.gz BSCZPOPETVGLGL-OKZBNKHCSA-N 1 1 328.412 0.827 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001047498270 764513750 /nfs/dbraw/zinc/51/37/50/764513750.db2.gz NMMBECRSUXHWHL-PMPSAXMXSA-N 1 1 349.475 0.550 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001047498270 764513754 /nfs/dbraw/zinc/51/37/54/764513754.db2.gz NMMBECRSUXHWHL-PMPSAXMXSA-N 1 1 349.475 0.550 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503357 764532525 /nfs/dbraw/zinc/53/25/25/764532525.db2.gz ACKRLLLGLIFQOO-RDBSUJKOSA-N 1 1 347.381 0.397 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503357 764532532 /nfs/dbraw/zinc/53/25/32/764532532.db2.gz ACKRLLLGLIFQOO-RDBSUJKOSA-N 1 1 347.381 0.397 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001047504545 764536615 /nfs/dbraw/zinc/53/66/15/764536615.db2.gz NKYGPSDUFRGPQU-IHRRRGAJSA-N 1 1 331.407 0.653 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001047504545 764536628 /nfs/dbraw/zinc/53/66/28/764536628.db2.gz NKYGPSDUFRGPQU-IHRRRGAJSA-N 1 1 331.407 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nonc2C)CC1 ZINC001052457716 764541369 /nfs/dbraw/zinc/54/13/69/764541369.db2.gz UMFKCDSUPFIFAT-WBVHZDCISA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nonc2C)CC1 ZINC001052457716 764541375 /nfs/dbraw/zinc/54/13/75/764541375.db2.gz UMFKCDSUPFIFAT-WBVHZDCISA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(CC=C)nn1 ZINC001089874496 764590885 /nfs/dbraw/zinc/59/08/85/764590885.db2.gz HRXZGTRTGCFLSJ-IVSAIRAKSA-N 1 1 325.416 0.880 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001060406439 764622696 /nfs/dbraw/zinc/62/26/96/764622696.db2.gz ALCVWHCBZIZCPI-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001060406441 764622752 /nfs/dbraw/zinc/62/27/52/764622752.db2.gz ALCVWHCBZIZCPI-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn(C)c3c2CCCC3)C1 ZINC001047537422 764628002 /nfs/dbraw/zinc/62/80/02/764628002.db2.gz ITZAARJWXOTWPZ-HOTGVXAUSA-N 1 1 332.448 0.992 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnnn1 ZINC001089879615 764634597 /nfs/dbraw/zinc/63/45/97/764634597.db2.gz DHBLHLIVEAIZAG-JJXSEGSLSA-N 1 1 330.436 0.808 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnnn1 ZINC001089880837 764638801 /nfs/dbraw/zinc/63/88/01/764638801.db2.gz OHABUYACBQPHRM-JJXSEGSLSA-N 1 1 328.420 0.255 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001052506178 764643237 /nfs/dbraw/zinc/64/32/37/764643237.db2.gz YIIRYVAXOJRXSU-ZIAGYGMSSA-N 1 1 331.420 0.540 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCOCCO ZINC001099070526 764664503 /nfs/dbraw/zinc/66/45/03/764664503.db2.gz ZAXWZCJYKHEGIH-MRXNPFEDSA-N 1 1 340.464 0.642 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](CC)OC)C[C@@H]2O)nn1 ZINC001047554441 764680675 /nfs/dbraw/zinc/68/06/75/764680675.db2.gz VUDXBPVBGMRNEO-QEJZJMRPSA-N 1 1 337.424 0.006 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001047558178 764691609 /nfs/dbraw/zinc/69/16/09/764691609.db2.gz CAMORWVJTXQSRX-MHORFTMASA-N 1 1 328.412 0.935 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001047558178 764691618 /nfs/dbraw/zinc/69/16/18/764691618.db2.gz CAMORWVJTXQSRX-MHORFTMASA-N 1 1 328.412 0.935 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001099075292 764701073 /nfs/dbraw/zinc/70/10/73/764701073.db2.gz IPUJZZIXKSKANI-LZWOXQAQSA-N 1 1 339.461 0.014 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001047564816 764703852 /nfs/dbraw/zinc/70/38/52/764703852.db2.gz CIQKVRFPVVCGFA-IRXDYDNUSA-N 1 1 340.427 0.712 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(CC)cn3)[C@H]2C)C1=O ZINC001088985310 764705731 /nfs/dbraw/zinc/70/57/31/764705731.db2.gz RWBTUPGGJGWIQK-IJEWVQPXSA-N 1 1 345.447 0.883 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(CC)cn3)[C@H]2C)C1=O ZINC001088985310 764705737 /nfs/dbraw/zinc/70/57/37/764705737.db2.gz RWBTUPGGJGWIQK-IJEWVQPXSA-N 1 1 345.447 0.883 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001047567268 764711579 /nfs/dbraw/zinc/71/15/79/764711579.db2.gz AFLNXEIHKLYXAY-GJZGRUSLSA-N 1 1 325.372 0.222 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001047567268 764711585 /nfs/dbraw/zinc/71/15/85/764711585.db2.gz AFLNXEIHKLYXAY-GJZGRUSLSA-N 1 1 325.372 0.222 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001052537665 764714433 /nfs/dbraw/zinc/71/44/33/764714433.db2.gz NRMMZSDISYPLOL-AWEZNQCLSA-N 1 1 334.420 0.886 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001052563399 764766346 /nfs/dbraw/zinc/76/63/46/764766346.db2.gz QNWZHGOTZDSZLX-OAHLLOKOSA-N 1 1 341.477 0.406 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3nccc3nc2C)C1 ZINC001047581901 764770236 /nfs/dbraw/zinc/77/02/36/764770236.db2.gz SSVOGWPBYUHUPC-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001047582568 764772350 /nfs/dbraw/zinc/77/23/50/764772350.db2.gz XVTCNWFAUWEBTN-RCBQFDQVSA-N 1 1 330.432 0.675 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001032138028 764791599 /nfs/dbraw/zinc/79/15/99/764791599.db2.gz IRQHNKJVJWGSSK-INIZCTEOSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001047590335 764799449 /nfs/dbraw/zinc/79/94/49/764799449.db2.gz BGQQNIUOUAAJHO-HOTGVXAUSA-N 1 1 345.403 0.613 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001047590335 764799455 /nfs/dbraw/zinc/79/94/55/764799455.db2.gz BGQQNIUOUAAJHO-HOTGVXAUSA-N 1 1 345.403 0.613 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3nccs3)c2)C1 ZINC001047591532 764803936 /nfs/dbraw/zinc/80/39/36/764803936.db2.gz XLOAANRQAIGBFJ-STQMWFEESA-N 1 1 333.417 0.632 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3nccs3)c2)C1 ZINC001047591532 764803948 /nfs/dbraw/zinc/80/39/48/764803948.db2.gz XLOAANRQAIGBFJ-STQMWFEESA-N 1 1 333.417 0.632 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001047592071 764806857 /nfs/dbraw/zinc/80/68/57/764806857.db2.gz DOYXKJYXRJJKHD-KKUMJFAQSA-N 1 1 338.452 0.389 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c3c(nn2C)CCC3)C1 ZINC001047594514 764817344 /nfs/dbraw/zinc/81/73/44/764817344.db2.gz GAZAPUCWGODRKB-HOTGVXAUSA-N 1 1 332.448 0.992 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC001052596641 764823287 /nfs/dbraw/zinc/82/32/87/764823287.db2.gz KMHQQNRWXVVUBS-YESZJQIVSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001052598353 764827305 /nfs/dbraw/zinc/82/73/05/764827305.db2.gz GGOXRABRESWIQI-JKSUJKDBSA-N 1 1 337.464 0.577 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001052600468 764833430 /nfs/dbraw/zinc/83/34/30/764833430.db2.gz YIODZPSBOXBNCK-HOTGVXAUSA-N 1 1 337.464 0.579 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)cn1 ZINC001047598928 764835384 /nfs/dbraw/zinc/83/53/84/764835384.db2.gz BKNWJDJZYHLKIX-ROUUACIJSA-N 1 1 343.427 0.607 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)ccc2=O)C1 ZINC001047606304 764859478 /nfs/dbraw/zinc/85/94/78/764859478.db2.gz XWUXJBQXLBYJLS-GJZGRUSLSA-N 1 1 334.420 0.021 20 30 ECEDMO Cc1cc(C#N)nc(NCCOCCN(C)C(=O)C[N@H+](C)C(C)C)n1 ZINC001127334804 768249873 /nfs/dbraw/zinc/24/98/73/768249873.db2.gz TUEVRKRFDWLSCI-UHFFFAOYSA-N 1 1 348.451 0.884 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001047623707 764909348 /nfs/dbraw/zinc/90/93/48/764909348.db2.gz NAGQIHRWIRRWQT-HOTGVXAUSA-N 1 1 329.404 0.754 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001047623707 764909351 /nfs/dbraw/zinc/90/93/51/764909351.db2.gz NAGQIHRWIRRWQT-HOTGVXAUSA-N 1 1 329.404 0.754 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)NC(=O)COC ZINC001099093076 764915813 /nfs/dbraw/zinc/91/58/13/764915813.db2.gz LTKNJANMHDGBMI-ZIAGYGMSSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001052643216 764922795 /nfs/dbraw/zinc/92/27/95/764922795.db2.gz XMOYKUGQKOBEOE-HIFRSBDPSA-N 1 1 334.420 0.605 20 30 ECEDMO CN(C(=O)c1ccn(C)n1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047628212 764927889 /nfs/dbraw/zinc/92/78/89/764927889.db2.gz DZEYBJCRQKCMFH-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO CN(C(=O)c1ccn(C)n1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047628212 764927892 /nfs/dbraw/zinc/92/78/92/764927892.db2.gz DZEYBJCRQKCMFH-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)c1 ZINC001052696646 765001743 /nfs/dbraw/zinc/00/17/43/765001743.db2.gz SOGUSSLKCYZOAD-DLBZAZTESA-N 1 1 340.427 0.926 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001052730610 765050744 /nfs/dbraw/zinc/05/07/44/765050744.db2.gz BETCNDZKRCRBDV-LSDHHAIUSA-N 1 1 330.436 0.620 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001052731377 765051159 /nfs/dbraw/zinc/05/11/59/765051159.db2.gz PXDPYYHRGVCBEH-CABCVRRESA-N 1 1 330.436 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1conc1CC ZINC001078255305 782569854 /nfs/dbraw/zinc/56/98/54/782569854.db2.gz NLLJFOOQLDNYQF-BBRMVZONSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1conc1CC ZINC001078255305 782569860 /nfs/dbraw/zinc/56/98/60/782569860.db2.gz NLLJFOOQLDNYQF-BBRMVZONSA-N 1 1 346.431 0.959 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nccn3C)CC2)nn1 ZINC001052775506 765099654 /nfs/dbraw/zinc/09/96/54/765099654.db2.gz VXVNDLHBLFGZMM-CQSZACIVSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3nccn3C)CC2)nn1 ZINC001052775506 765099663 /nfs/dbraw/zinc/09/96/63/765099663.db2.gz VXVNDLHBLFGZMM-CQSZACIVSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cccnc3C)C2)C1=O ZINC001015631384 765104046 /nfs/dbraw/zinc/10/40/46/765104046.db2.gz KCVWIDIQHJECDG-GOEBONIOSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccnc3C)C2)C1=O ZINC001015631384 765104055 /nfs/dbraw/zinc/10/40/55/765104055.db2.gz KCVWIDIQHJECDG-GOEBONIOSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000991999801 765109826 /nfs/dbraw/zinc/10/98/26/765109826.db2.gz WQILRAUYPDEJCL-OAHLLOKOSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000992003135 765118301 /nfs/dbraw/zinc/11/83/01/765118301.db2.gz YXRKEMKQKWKOSY-YMAMQOFZSA-N 1 1 335.448 0.684 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000992003135 765118306 /nfs/dbraw/zinc/11/83/06/765118306.db2.gz YXRKEMKQKWKOSY-YMAMQOFZSA-N 1 1 335.448 0.684 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786397 765120360 /nfs/dbraw/zinc/12/03/60/765120360.db2.gz VEURTNXPOASRLG-OLZOCXBDSA-N 1 1 349.884 0.744 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cccnc3OC)C2)C1=O ZINC001015645164 765120791 /nfs/dbraw/zinc/12/07/91/765120791.db2.gz AHTALZHENXJCNE-ZFWWWQNUSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cccnc3OC)C2)C1=O ZINC001015645164 765120792 /nfs/dbraw/zinc/12/07/92/765120792.db2.gz AHTALZHENXJCNE-ZFWWWQNUSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001052815272 765172690 /nfs/dbraw/zinc/17/26/90/765172690.db2.gz TXFWKYLGXLKQFI-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CCNC1=O ZINC001015696112 765179473 /nfs/dbraw/zinc/17/94/73/765179473.db2.gz VEXYNUQPWCYGOR-QAPCUYQASA-N 1 1 326.400 0.775 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C#N ZINC001015712084 765213981 /nfs/dbraw/zinc/21/39/81/765213981.db2.gz XAVRLKVRXINBGS-KFWWJZLASA-N 1 1 342.399 0.379 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C#N ZINC001015712084 765213989 /nfs/dbraw/zinc/21/39/89/765213989.db2.gz XAVRLKVRXINBGS-KFWWJZLASA-N 1 1 342.399 0.379 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000992045179 765268340 /nfs/dbraw/zinc/26/83/40/765268340.db2.gz NRWHVTUXLHETTA-LXVYMNJGSA-N 1 1 329.404 0.463 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3nc(C)n(-c4nc[nH]n4)n3)CCC[C@H]12 ZINC000992071096 765364230 /nfs/dbraw/zinc/36/42/30/765364230.db2.gz LTBVWEASWJICSA-LRDDRELGSA-N 1 1 340.391 0.054 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)cc1 ZINC001015808946 765365655 /nfs/dbraw/zinc/36/56/55/765365655.db2.gz HJDKZDRKZOEXMM-RDJZCZTQSA-N 1 1 341.411 0.733 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)cc1 ZINC001015808946 765365661 /nfs/dbraw/zinc/36/56/61/765365661.db2.gz HJDKZDRKZOEXMM-RDJZCZTQSA-N 1 1 341.411 0.733 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000992071382 765366341 /nfs/dbraw/zinc/36/63/41/765366341.db2.gz OBYWJBAPIGZCSX-BMFZPTHFSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001015820053 765382495 /nfs/dbraw/zinc/38/24/95/765382495.db2.gz XHAJMZOIYVMFGA-PMPSAXMXSA-N 1 1 333.436 0.840 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001015824001 765387856 /nfs/dbraw/zinc/38/78/56/765387856.db2.gz GAEJMPIQVVRITN-HLLBOEOZSA-N 1 1 326.400 0.425 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001015824001 765387861 /nfs/dbraw/zinc/38/78/61/765387861.db2.gz GAEJMPIQVVRITN-HLLBOEOZSA-N 1 1 326.400 0.425 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)C1CC(=O)NC(=O)C1 ZINC001015836721 765410078 /nfs/dbraw/zinc/41/00/78/765410078.db2.gz JAYXFQIUZPXUHN-INIZCTEOSA-N 1 1 339.395 0.281 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)C1CC(=O)NC(=O)C1 ZINC001015836721 765410085 /nfs/dbraw/zinc/41/00/85/765410085.db2.gz JAYXFQIUZPXUHN-INIZCTEOSA-N 1 1 339.395 0.281 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC000992087288 765434610 /nfs/dbraw/zinc/43/46/10/765434610.db2.gz VIIYKXQBQFBMLA-CJNGLKHVSA-N 1 1 340.855 0.284 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC000992087288 765434616 /nfs/dbraw/zinc/43/46/16/765434616.db2.gz VIIYKXQBQFBMLA-CJNGLKHVSA-N 1 1 340.855 0.284 20 30 ECEDMO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC001015847538 765435615 /nfs/dbraw/zinc/43/56/15/765435615.db2.gz WOJQRDONYVVLPJ-CQSZACIVSA-N 1 1 340.387 0.722 20 30 ECEDMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC001015847538 765435622 /nfs/dbraw/zinc/43/56/22/765435622.db2.gz WOJQRDONYVVLPJ-CQSZACIVSA-N 1 1 340.387 0.722 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)C#CC2CC2)[C@H](C)C1 ZINC001052988017 765465251 /nfs/dbraw/zinc/46/52/51/765465251.db2.gz RAILSRGARKLGDJ-CZUORRHYSA-N 1 1 328.416 0.816 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001053019941 765491859 /nfs/dbraw/zinc/49/18/59/765491859.db2.gz PWJGDBQNWMZYPO-HOTGVXAUSA-N 1 1 345.447 0.958 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+](CC(N)=O)C3)C2)[nH]1 ZINC001053019334 765492550 /nfs/dbraw/zinc/49/25/50/765492550.db2.gz LYLUWPULJXQVAZ-ZIAGYGMSSA-N 1 1 343.431 0.936 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001053032292 765506583 /nfs/dbraw/zinc/50/65/83/765506583.db2.gz NVFWUVFLKVGYSW-DLBZAZTESA-N 1 1 346.475 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001053037321 765514145 /nfs/dbraw/zinc/51/41/45/765514145.db2.gz YMJQTWSJOTWLEY-SJORKVTESA-N 1 1 346.475 0.002 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001077492732 765561185 /nfs/dbraw/zinc/56/11/85/765561185.db2.gz YEMWMYUUBJGMBR-HUUCEWRRSA-N 1 1 329.404 0.697 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001077492732 765561193 /nfs/dbraw/zinc/56/11/93/765561193.db2.gz YEMWMYUUBJGMBR-HUUCEWRRSA-N 1 1 329.404 0.697 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2ncnn2)C1 ZINC001053087463 765562693 /nfs/dbraw/zinc/56/26/93/765562693.db2.gz UAVORLAZIBPNDX-HOTGVXAUSA-N 1 1 330.436 0.790 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)cc1F ZINC000992151989 765686612 /nfs/dbraw/zinc/68/66/12/765686612.db2.gz DPLGIIFNKXDUMO-WMLDXEAASA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)cc1F ZINC000992151989 765686617 /nfs/dbraw/zinc/68/66/17/765686617.db2.gz DPLGIIFNKXDUMO-WMLDXEAASA-N 1 1 330.363 0.796 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC001016021687 765726460 /nfs/dbraw/zinc/72/64/60/765726460.db2.gz ZBQJJUUILAVENJ-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC001016021687 765726470 /nfs/dbraw/zinc/72/64/70/765726470.db2.gz ZBQJJUUILAVENJ-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2C)CC[N@H+]1C ZINC001053209310 765766888 /nfs/dbraw/zinc/76/68/88/765766888.db2.gz GYUQMSHYBXMSMD-IXYNUQLISA-N 1 1 342.447 0.877 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001016109659 765793417 /nfs/dbraw/zinc/79/34/17/765793417.db2.gz DTZNJACCLOFJIN-DLBZAZTESA-N 1 1 325.412 0.632 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001016109659 765793420 /nfs/dbraw/zinc/79/34/20/765793420.db2.gz DTZNJACCLOFJIN-DLBZAZTESA-N 1 1 325.412 0.632 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001016109782 765793624 /nfs/dbraw/zinc/79/36/24/765793624.db2.gz DRRLBGXPRMZZCN-CVEARBPZSA-N 1 1 339.395 0.206 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001016109782 765793627 /nfs/dbraw/zinc/79/36/27/765793627.db2.gz DRRLBGXPRMZZCN-CVEARBPZSA-N 1 1 339.395 0.206 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001016109661 765793704 /nfs/dbraw/zinc/79/37/04/765793704.db2.gz DTZNJACCLOFJIN-IAGOWNOFSA-N 1 1 325.412 0.632 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001016109661 765793710 /nfs/dbraw/zinc/79/37/10/765793710.db2.gz DTZNJACCLOFJIN-IAGOWNOFSA-N 1 1 325.412 0.632 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001017718685 768321446 /nfs/dbraw/zinc/32/14/46/768321446.db2.gz DZNZBYYUPZGZIS-OKILXGFUSA-N 1 1 332.404 0.365 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001017718685 768321454 /nfs/dbraw/zinc/32/14/54/768321454.db2.gz DZNZBYYUPZGZIS-OKILXGFUSA-N 1 1 332.404 0.365 20 30 ECEDMO O=C(C#CC1CC1)N1CCOC2(C[NH+](C[C@H]3CCNC(=O)CC3)C2)C1 ZINC001053250655 765841658 /nfs/dbraw/zinc/84/16/58/765841658.db2.gz QPQROVQXDRFQDT-MRXNPFEDSA-N 1 1 345.443 0.229 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)CC)C[C@@H](C)O2 ZINC001111534616 768329207 /nfs/dbraw/zinc/32/92/07/768329207.db2.gz BMSKYOVHRUHCLJ-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC[C@H](O)CNc2ncc(C#N)cc2F)C1 ZINC001106109109 765871681 /nfs/dbraw/zinc/87/16/81/765871681.db2.gz UFJXESJNQBYCBI-ZDUSSCGKSA-N 1 1 349.410 0.713 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3c(C)noc3C)C2)C1=O ZINC001016236378 765956353 /nfs/dbraw/zinc/95/63/53/765956353.db2.gz ZSZFRCAQYVMSGN-GDBMZVCRSA-N 1 1 346.431 0.811 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3c(C)noc3C)C2)C1=O ZINC001016236378 765956355 /nfs/dbraw/zinc/95/63/55/765956355.db2.gz ZSZFRCAQYVMSGN-GDBMZVCRSA-N 1 1 346.431 0.811 20 30 ECEDMO N#CCN1CC2(C1)CN(C(=O)Cn1c[nH+]c3c1CCCC3)CCO2 ZINC001053342789 766005058 /nfs/dbraw/zinc/00/50/58/766005058.db2.gz NZYXFQBEHWTDKT-UHFFFAOYSA-N 1 1 329.404 0.199 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccc(C)nc3)C2)C1=O ZINC001016272637 766016201 /nfs/dbraw/zinc/01/62/01/766016201.db2.gz OHDQUOVDPBIWKH-IRXDYDNUSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(C)nc3)C2)C1=O ZINC001016272637 766016208 /nfs/dbraw/zinc/01/62/08/766016208.db2.gz OHDQUOVDPBIWKH-IRXDYDNUSA-N 1 1 342.443 0.910 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccoc1CC(N)=O)CCO2 ZINC001053396859 766079675 /nfs/dbraw/zinc/07/96/75/766079675.db2.gz HRCGAWAWJLGOQU-UHFFFAOYSA-N 1 1 347.415 0.800 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001016304927 766080291 /nfs/dbraw/zinc/08/02/91/766080291.db2.gz ISUASOBBNOKPMD-QWHCGFSZSA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001016304927 766080294 /nfs/dbraw/zinc/08/02/94/766080294.db2.gz ISUASOBBNOKPMD-QWHCGFSZSA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 ZINC000992264928 766094611 /nfs/dbraw/zinc/09/46/11/766094611.db2.gz VZNNVRFYVDMGBQ-FIXISWKDSA-N 1 1 340.811 0.450 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 ZINC000992264928 766094619 /nfs/dbraw/zinc/09/46/19/766094619.db2.gz VZNNVRFYVDMGBQ-FIXISWKDSA-N 1 1 340.811 0.450 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000992265624 766100696 /nfs/dbraw/zinc/10/06/96/766100696.db2.gz AVRSLRMYLIGAKM-GNHJJJEISA-N 1 1 340.427 0.639 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCCC(=O)N1)CCO2 ZINC001053421399 766105365 /nfs/dbraw/zinc/10/53/65/766105365.db2.gz JQWBGQCIRMWOPR-HNNXBMFYSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001053441521 766136976 /nfs/dbraw/zinc/13/69/76/766136976.db2.gz AZZVRSYDSKULON-CVEARBPZSA-N 1 1 337.464 0.579 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CCO2 ZINC001053467951 766183753 /nfs/dbraw/zinc/18/37/53/766183753.db2.gz RTDFSRZVFNAZIM-SJORKVTESA-N 1 1 331.460 0.940 20 30 ECEDMO C=CCN1CC[C@@]2(NC(=O)Cn3[n-]cc4c(=O)ncnc3-4)CCC[C@H]12 ZINC000992313902 766240725 /nfs/dbraw/zinc/24/07/25/766240725.db2.gz BLDGLUVZXGNYPP-GUYCJALGSA-N 1 1 342.403 0.370 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001106126771 766272947 /nfs/dbraw/zinc/27/29/47/766272947.db2.gz QTWSFBWZCKFQDV-ZDUSSCGKSA-N 1 1 343.391 0.257 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@@H]12 ZINC000992333148 766310014 /nfs/dbraw/zinc/31/00/14/766310014.db2.gz BZEURQQEPCFNMF-BJAXYTJBSA-N 1 1 344.415 0.111 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045772945 766351146 /nfs/dbraw/zinc/35/11/46/766351146.db2.gz SHNPYBRXHSBNNX-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001045777058 766356714 /nfs/dbraw/zinc/35/67/14/766356714.db2.gz CFSLCMPBRQOMQI-MRXNPFEDSA-N 1 1 325.453 0.620 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)cc1 ZINC001083691271 766360834 /nfs/dbraw/zinc/36/08/34/766360834.db2.gz HPYWUTBHFHZITJ-MSOLQXFVSA-N 1 1 328.412 0.869 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001045784410 766366913 /nfs/dbraw/zinc/36/69/13/766366913.db2.gz AVXMTUSJZZPSIO-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO CO[C@H](C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)O2 ZINC001053587659 766379712 /nfs/dbraw/zinc/37/97/12/766379712.db2.gz HWESVDBMKXBEHS-TZMCWYRMSA-N 1 1 332.404 0.884 20 30 ECEDMO CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250640 766409577 /nfs/dbraw/zinc/40/95/77/766409577.db2.gz DKZJZMIHLBKPGU-MGPQQGTHSA-N 1 1 328.359 0.639 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250640 766409580 /nfs/dbraw/zinc/40/95/80/766409580.db2.gz DKZJZMIHLBKPGU-MGPQQGTHSA-N 1 1 328.359 0.639 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001045827752 766412450 /nfs/dbraw/zinc/41/24/50/766412450.db2.gz SGQNSKAFYHIKSN-KGLIPLIRSA-N 1 1 348.447 0.816 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3[nH]cnc3c1)O2 ZINC001053604946 766416888 /nfs/dbraw/zinc/41/68/88/766416888.db2.gz UAAKMLJQUBHYED-CQSZACIVSA-N 1 1 339.399 0.944 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnc3ccnn31)O2 ZINC001053609063 766425432 /nfs/dbraw/zinc/42/54/32/766425432.db2.gz SVHHYLKTAAEXII-AWEZNQCLSA-N 1 1 339.399 0.716 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nn1 ZINC001045861306 766440190 /nfs/dbraw/zinc/44/01/90/766440190.db2.gz NAEJRIQHUWFANK-KGLIPLIRSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nn1 ZINC001045861306 766440194 /nfs/dbraw/zinc/44/01/94/766440194.db2.gz NAEJRIQHUWFANK-KGLIPLIRSA-N 1 1 346.435 0.231 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001016528564 766441642 /nfs/dbraw/zinc/44/16/42/766441642.db2.gz LVDSGCDMLPUJHI-LMWSTFAQSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCCO[C@H]3C=C)C2)C1=O ZINC001031680823 766448709 /nfs/dbraw/zinc/44/87/09/766448709.db2.gz RXGOAGDGHBTENJ-IKGGRYGDSA-N 1 1 347.459 0.803 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(=O)n(C)c1)O2 ZINC001053622368 766460465 /nfs/dbraw/zinc/46/04/65/766460465.db2.gz VCJDGDRERCZZPI-OAHLLOKOSA-N 1 1 329.400 0.372 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)cn1 ZINC001045880131 766462584 /nfs/dbraw/zinc/46/25/84/766462584.db2.gz JOGCAXLFVVNXBK-WQVCFCJDSA-N 1 1 326.400 0.616 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(N)=O)cn1 ZINC001045880131 766462588 /nfs/dbraw/zinc/46/25/88/766462588.db2.gz JOGCAXLFVVNXBK-WQVCFCJDSA-N 1 1 326.400 0.616 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1coc(C(N)=O)c1)O2 ZINC001053638647 766493762 /nfs/dbraw/zinc/49/37/62/766493762.db2.gz RZNFLRKYXGBARR-ZDUSSCGKSA-N 1 1 331.372 0.365 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC001016560635 766505425 /nfs/dbraw/zinc/50/54/25/766505425.db2.gz IBIGNORQCUTDKW-NRXISQOPSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC001016560635 766505429 /nfs/dbraw/zinc/50/54/29/766505429.db2.gz IBIGNORQCUTDKW-NRXISQOPSA-N 1 1 343.431 0.535 20 30 ECEDMO C=CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649740 766512039 /nfs/dbraw/zinc/51/20/39/766512039.db2.gz VLEPWEWDOILNHD-CVEARBPZSA-N 1 1 337.464 0.631 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001045951346 766522890 /nfs/dbraw/zinc/52/28/90/766522890.db2.gz XHCMRUOOLPITIC-SFHVURJKSA-N 1 1 346.431 0.840 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C(=O)N1)C2 ZINC001045956607 766526765 /nfs/dbraw/zinc/52/67/65/766526765.db2.gz QNDXUFMSMWDOBY-QAPCUYQASA-N 1 1 332.448 0.738 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001045971332 766539858 /nfs/dbraw/zinc/53/98/58/766539858.db2.gz SNORUQXZHOEBNO-VKJFTORMSA-N 1 1 335.448 0.767 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@H]12 ZINC000992427570 766547846 /nfs/dbraw/zinc/54/78/46/766547846.db2.gz LOELNRKKHBIJTC-SUMWQHHRSA-N 1 1 334.420 0.618 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001045982883 766553798 /nfs/dbraw/zinc/55/37/98/766553798.db2.gz GUUBCWOZFQCKDI-GOSISDBHSA-N 1 1 346.431 0.266 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001045983286 766554434 /nfs/dbraw/zinc/55/44/34/766554434.db2.gz LIIBQPKVKGXBEW-SFHVURJKSA-N 1 1 348.447 0.819 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001045983898 766555177 /nfs/dbraw/zinc/55/51/77/766555177.db2.gz SPFKYFMHIPMOKF-GOSISDBHSA-N 1 1 348.447 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001045984027 766556344 /nfs/dbraw/zinc/55/63/44/766556344.db2.gz VMLBXKGTXZPZAE-SFHVURJKSA-N 1 1 345.447 0.228 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(CCC=C)nn1)O2 ZINC001053677325 766560474 /nfs/dbraw/zinc/56/04/74/766560474.db2.gz VSFDHSNJXOQTEN-HNNXBMFYSA-N 1 1 343.431 0.841 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](N2CCN(C(=O)COC)CC2)C1 ZINC001045990429 766567494 /nfs/dbraw/zinc/56/74/94/766567494.db2.gz URPXNKKKBHXEBJ-ZDUSSCGKSA-N 1 1 346.269 0.760 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](N2CCN(C(=O)COC)CC2)C1 ZINC001045990429 766567497 /nfs/dbraw/zinc/56/74/97/766567497.db2.gz URPXNKKKBHXEBJ-ZDUSSCGKSA-N 1 1 346.269 0.760 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc(OC)nc1)O2 ZINC001053682403 766576843 /nfs/dbraw/zinc/57/68/43/766576843.db2.gz GIIGQMZBRPQTBJ-AWEZNQCLSA-N 1 1 330.388 0.472 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C(C)=O)CCO3)CCC[C@@H]12 ZINC000992446300 766588190 /nfs/dbraw/zinc/58/81/90/766588190.db2.gz CCRKXLQLYJELJR-LZLYRXPVSA-N 1 1 333.432 0.370 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC001045999663 766596570 /nfs/dbraw/zinc/59/65/70/766596570.db2.gz KJULOBRCJQJHKD-OAHLLOKOSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncc(C(N)=O)c1)O2 ZINC001053700411 766619405 /nfs/dbraw/zinc/61/94/05/766619405.db2.gz UFVWRYVFUWHUFQ-OAHLLOKOSA-N 1 1 342.399 0.167 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12 ZINC000992463376 766633915 /nfs/dbraw/zinc/63/39/15/766633915.db2.gz JMQJEFZTEDOVAW-CXAGYDPISA-N 1 1 334.420 0.570 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001046011281 766635742 /nfs/dbraw/zinc/63/57/42/766635742.db2.gz BHFBBIHWLRKEMX-GOEBONIOSA-N 1 1 330.436 0.298 20 30 ECEDMO Cc1conc1C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011952 766638403 /nfs/dbraw/zinc/63/84/03/766638403.db2.gz JITBLXOCKCIUIO-HIFRSBDPSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1conc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011952 766638406 /nfs/dbraw/zinc/63/84/06/766638406.db2.gz JITBLXOCKCIUIO-HIFRSBDPSA-N 1 1 331.420 0.861 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3nccnc3N)CC2)C1 ZINC001046013668 766644041 /nfs/dbraw/zinc/64/40/41/766644041.db2.gz GODJPWBNJORFQI-CQSZACIVSA-N 1 1 330.436 0.467 20 30 ECEDMO CO[C@H](C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046017557 766654271 /nfs/dbraw/zinc/65/42/71/766654271.db2.gz NZBJERSJVKUKKV-GDBMZVCRSA-N 1 1 345.447 0.753 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 ZINC001046019828 766661003 /nfs/dbraw/zinc/66/10/03/766661003.db2.gz LAUSAOWPZZRDEC-IRXDYDNUSA-N 1 1 336.480 0.112 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 ZINC001046020730 766663332 /nfs/dbraw/zinc/66/33/32/766663332.db2.gz XFLLDNBJPWYHTQ-HOTGVXAUSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC001046020670 766663383 /nfs/dbraw/zinc/66/33/83/766663383.db2.gz WIKILERNWUBNCZ-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 ZINC001046022702 766669828 /nfs/dbraw/zinc/66/98/28/766669828.db2.gz WJHJNWMOLZQWPO-HOTGVXAUSA-N 1 1 332.452 0.634 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 ZINC001046022704 766670116 /nfs/dbraw/zinc/67/01/16/766670116.db2.gz WJHJNWMOLZQWPO-JKSUJKDBSA-N 1 1 332.452 0.634 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C3CC3)C[C@]2(C)C1 ZINC000992480102 766675677 /nfs/dbraw/zinc/67/56/77/766675677.db2.gz SBBBVXFZJDTPBQ-TXPKVOOTSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C3CC3)C[C@]2(C)C1 ZINC000992480102 766675681 /nfs/dbraw/zinc/67/56/81/766675681.db2.gz SBBBVXFZJDTPBQ-TXPKVOOTSA-N 1 1 329.444 0.801 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CC3OCCCO3)CC2)C1 ZINC001046024717 766675821 /nfs/dbraw/zinc/67/58/21/766675821.db2.gz QHIINQDIAMVNEV-MRXNPFEDSA-N 1 1 337.464 0.934 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnnc(C)c3)CC2)C1 ZINC001046025136 766678892 /nfs/dbraw/zinc/67/88/92/766678892.db2.gz VFIGURNWHCUZRN-QGZVFWFLSA-N 1 1 327.432 0.640 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046026541 766683000 /nfs/dbraw/zinc/68/30/00/766683000.db2.gz ZIERABIAERYMDX-ZDUSSCGKSA-N 1 1 338.843 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046026541 766683005 /nfs/dbraw/zinc/68/30/05/766683005.db2.gz ZIERABIAERYMDX-ZDUSSCGKSA-N 1 1 338.843 0.400 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@@H]12 ZINC000992485354 766684789 /nfs/dbraw/zinc/68/47/89/766684789.db2.gz FWHGYQQMYODXAJ-PXAZEXFGSA-N 1 1 334.420 0.616 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992484057 766686587 /nfs/dbraw/zinc/68/65/87/766686587.db2.gz ZOPGHWJDJRGIRN-GUYCJALGSA-N 1 1 330.388 0.236 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)c(C)o2)C1 ZINC000994749248 766691310 /nfs/dbraw/zinc/69/13/10/766691310.db2.gz AIRYLRCYAXRFIP-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)c(C)o2)C1 ZINC000994749248 766691315 /nfs/dbraw/zinc/69/13/15/766691315.db2.gz AIRYLRCYAXRFIP-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)cncc2C)C1 ZINC000994750901 766692380 /nfs/dbraw/zinc/69/23/80/766692380.db2.gz DWHPIRJRLZDABT-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)cncc2C)C1 ZINC000994750901 766692383 /nfs/dbraw/zinc/69/23/83/766692383.db2.gz DWHPIRJRLZDABT-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC001046030350 766696401 /nfs/dbraw/zinc/69/64/01/766696401.db2.gz PBWZDVKNHSOKDF-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cccc(C)c3=O)CC2)C1 ZINC001046030639 766698599 /nfs/dbraw/zinc/69/85/99/766698599.db2.gz WTQDZDIRKMMZCA-QGZVFWFLSA-N 1 1 342.443 0.008 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001046030830 766699693 /nfs/dbraw/zinc/69/96/93/766699693.db2.gz CNOPMBOCAMWGMR-BRWVUGGUSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C)n2C)C1 ZINC000994751947 766700065 /nfs/dbraw/zinc/70/00/65/766700065.db2.gz OIYMWOCPXRZIJU-HNNXBMFYSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C)n2C)C1 ZINC000994751947 766700069 /nfs/dbraw/zinc/70/00/69/766700069.db2.gz OIYMWOCPXRZIJU-HNNXBMFYSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc[nH]c2C2CC2)C1 ZINC000994751960 766700228 /nfs/dbraw/zinc/70/02/28/766700228.db2.gz OKVIAIDPHZLCEB-INIZCTEOSA-N 1 1 340.427 0.930 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc[nH]c2C2CC2)C1 ZINC000994751960 766700231 /nfs/dbraw/zinc/70/02/31/766700231.db2.gz OKVIAIDPHZLCEB-INIZCTEOSA-N 1 1 340.427 0.930 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000994752056 766700385 /nfs/dbraw/zinc/70/03/85/766700385.db2.gz PDXIRTXQCIKIIE-WAVCKPEOSA-N 1 1 326.400 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000994752056 766700392 /nfs/dbraw/zinc/70/03/92/766700392.db2.gz PDXIRTXQCIKIIE-WAVCKPEOSA-N 1 1 326.400 0.453 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(F)cncc3F)CC2)C1 ZINC001046034849 766715656 /nfs/dbraw/zinc/71/56/56/766715656.db2.gz WZRMRBQZLYDVJY-CYBMUJFWSA-N 1 1 334.370 0.825 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nnn3CC)CC2)C1 ZINC001046036026 766724474 /nfs/dbraw/zinc/72/44/74/766724474.db2.gz YYRVMDMQKFQXCF-MRXNPFEDSA-N 1 1 344.463 0.462 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC001046036147 766724755 /nfs/dbraw/zinc/72/47/55/766724755.db2.gz BFUPCLMBQWGPIB-LPHOPBHVSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCC)C2)CC1 ZINC001046036277 766725065 /nfs/dbraw/zinc/72/50/65/766725065.db2.gz FMKWSWQXOWWJJW-ROUUACIJSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnccc3C)CC2)C1 ZINC001046036658 766727834 /nfs/dbraw/zinc/72/78/34/766727834.db2.gz NHVLUBSPUGVRLR-SFHVURJKSA-N 1 1 326.444 0.784 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 ZINC001046036895 766729450 /nfs/dbraw/zinc/72/94/50/766729450.db2.gz IUTDYRVVVMYCGA-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046037091 766731131 /nfs/dbraw/zinc/73/11/31/766731131.db2.gz LVMCWAPLGPKJML-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046037545 766733578 /nfs/dbraw/zinc/73/35/78/766733578.db2.gz RVCYQZSTPYYMGT-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 ZINC001046037524 766733853 /nfs/dbraw/zinc/73/38/53/766733853.db2.gz ROBHIVVZYDQCHQ-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC001046037649 766735357 /nfs/dbraw/zinc/73/53/57/766735357.db2.gz VQDQVHODGTYBMB-OAHLLOKOSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046037827 766736196 /nfs/dbraw/zinc/73/61/96/766736196.db2.gz ZXFWHMXBHLHFMC-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)C1 ZINC001046038149 766737756 /nfs/dbraw/zinc/73/77/56/766737756.db2.gz AUWUJGVNEBEDAW-OAHLLOKOSA-N 1 1 345.447 0.405 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4n[nH]cc4c3)CC2)C1 ZINC001046038371 766738081 /nfs/dbraw/zinc/73/80/81/766738081.db2.gz DAESXGHQVNAXKA-MRXNPFEDSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001046039112 766741094 /nfs/dbraw/zinc/74/10/94/766741094.db2.gz SBEFOFYFYMLBHV-BRWVUGGUSA-N 1 1 336.480 0.110 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC001046039622 766743460 /nfs/dbraw/zinc/74/34/60/766743460.db2.gz TYSGTVWZHOGKGJ-KRWDZBQOSA-N 1 1 344.459 0.794 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046040670 766748132 /nfs/dbraw/zinc/74/81/32/766748132.db2.gz HFOUEZJUCLCRIO-MSOLQXFVSA-N 1 1 347.507 0.849 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2C)C1 ZINC001041999297 782577739 /nfs/dbraw/zinc/57/77/39/782577739.db2.gz WZROWKCBAWUCJW-MCIONIFRSA-N 1 1 344.419 0.010 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2C)C1 ZINC001041999297 782577749 /nfs/dbraw/zinc/57/77/49/782577749.db2.gz WZROWKCBAWUCJW-MCIONIFRSA-N 1 1 344.419 0.010 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc(OC)n3)CC2)C1 ZINC001046043520 766762425 /nfs/dbraw/zinc/76/24/25/766762425.db2.gz AFWHZBUMNJSPCP-HNNXBMFYSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]nc2C(C)C)C1 ZINC000994767903 766763116 /nfs/dbraw/zinc/76/31/16/766763116.db2.gz HWWHBYZNWAMVBU-HNNXBMFYSA-N 1 1 343.431 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]nc2C(C)C)C1 ZINC000994767903 766763124 /nfs/dbraw/zinc/76/31/24/766763124.db2.gz HWWHBYZNWAMVBU-HNNXBMFYSA-N 1 1 343.431 0.571 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(Cl)n(C)n3)CC2)C1 ZINC001046045313 766770794 /nfs/dbraw/zinc/77/07/94/766770794.db2.gz WAUGQLNPVAUTAG-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccn(C(C)C)n3)CC2)C1 ZINC001046046178 766772783 /nfs/dbraw/zinc/77/27/83/766772783.db2.gz XXLSFWDEXIUUFL-GOSISDBHSA-N 1 1 343.475 0.858 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001046047004 766775614 /nfs/dbraw/zinc/77/56/14/766775614.db2.gz LABOTJFGDSWREF-DLBZAZTESA-N 1 1 348.491 0.697 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1 ZINC001046047936 766778741 /nfs/dbraw/zinc/77/87/41/766778741.db2.gz MECYGOPFZACOJA-XLAORIBOSA-N 1 1 349.475 0.442 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3nccn3C)CC2)C1 ZINC001046048140 766780672 /nfs/dbraw/zinc/78/06/72/766780672.db2.gz QTLQYDHEFZVMIT-QGZVFWFLSA-N 1 1 343.475 0.595 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001046049737 766783791 /nfs/dbraw/zinc/78/37/91/766783791.db2.gz WUEFVWZVHZMDKU-ZIAGYGMSSA-N 1 1 340.855 0.094 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001046049737 766783796 /nfs/dbraw/zinc/78/37/96/766783796.db2.gz WUEFVWZVHZMDKU-ZIAGYGMSSA-N 1 1 340.855 0.094 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)cc1 ZINC001046050209 766785743 /nfs/dbraw/zinc/78/57/43/766785743.db2.gz HHRVJXOZMVYISV-LJQANCHMSA-N 1 1 341.455 0.882 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@@H]12 ZINC000992532159 766787527 /nfs/dbraw/zinc/78/75/27/766787527.db2.gz WSRIGVSHDDJUEO-CJNGLKHVSA-N 1 1 332.408 0.066 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046050886 766788644 /nfs/dbraw/zinc/78/86/44/766788644.db2.gz SJIKGYGTOGTABK-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046050888 766789084 /nfs/dbraw/zinc/78/90/84/766789084.db2.gz SJIKGYGTOGTABK-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)c3cncnc3)CC2)C1 ZINC001046054386 766799843 /nfs/dbraw/zinc/79/98/43/766799843.db2.gz MGMFGTAPINIHNZ-DOTOQJQBSA-N 1 1 327.432 0.432 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc4n3CCCC4)CC2)C1 ZINC001046055979 766807740 /nfs/dbraw/zinc/80/77/40/766807740.db2.gz LZGKUABRCFCZLZ-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046056052 766807826 /nfs/dbraw/zinc/80/78/26/766807826.db2.gz NQQQCZXKSQJCMC-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001089647748 766809061 /nfs/dbraw/zinc/80/90/61/766809061.db2.gz ZWVDFDLLHLEEHY-CQSZACIVSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001089647748 766809071 /nfs/dbraw/zinc/80/90/71/766809071.db2.gz ZWVDFDLLHLEEHY-CQSZACIVSA-N 1 1 326.462 0.661 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccnc3OC)CC2)C1 ZINC001046056769 766810740 /nfs/dbraw/zinc/81/07/40/766810740.db2.gz IRFGTQPKYMPRHU-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC001046057955 766817686 /nfs/dbraw/zinc/81/76/86/766817686.db2.gz APEZCNXHNWIVBX-INIZCTEOSA-N 1 1 347.463 0.594 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC001046059102 766819828 /nfs/dbraw/zinc/81/98/28/766819828.db2.gz YXJNAHZMHJUAFC-INIZCTEOSA-N 1 1 345.447 0.041 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)nc(OC)c3)CC2)C1 ZINC001046058759 766821396 /nfs/dbraw/zinc/82/13/96/766821396.db2.gz SIAGFPIJPPWJNT-KRWDZBQOSA-N 1 1 342.443 0.864 20 30 ECEDMO O=C(CN1CCOCC1)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007117094 766829493 /nfs/dbraw/zinc/82/94/93/766829493.db2.gz ODYIATDFSYVGEE-IBGZPJMESA-N 1 1 341.455 0.951 20 30 ECEDMO O=C(CN1CCOCC1)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007117094 766829495 /nfs/dbraw/zinc/82/94/95/766829495.db2.gz ODYIATDFSYVGEE-IBGZPJMESA-N 1 1 341.455 0.951 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCN([C@@H]2CC[N@@H+](CC(=O)NC)C2)CC1 ZINC001046061398 766829545 /nfs/dbraw/zinc/82/95/45/766829545.db2.gz LGPVTSSPOGMMGS-CRAIPNDOSA-N 1 1 336.480 0.553 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccc(C)n3)CC2)C1 ZINC001046062423 766833426 /nfs/dbraw/zinc/83/34/26/766833426.db2.gz GVKCYFGDGVFIOU-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC001046063926 766839314 /nfs/dbraw/zinc/83/93/14/766839314.db2.gz BXNKCXTWVRXBBB-XHSDSOJGSA-N 1 1 334.464 0.115 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cncs3)CC2)C1 ZINC001046064043 766842099 /nfs/dbraw/zinc/84/20/99/766842099.db2.gz CZGGZOZCYWUNEE-OAHLLOKOSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc(F)c[nH]2)C1 ZINC001016757687 766856186 /nfs/dbraw/zinc/85/61/86/766856186.db2.gz ZRBASLHXJFKPHD-XUJLQICISA-N 1 1 346.406 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc(F)c[nH]2)C1 ZINC001016757687 766856197 /nfs/dbraw/zinc/85/61/97/766856197.db2.gz ZRBASLHXJFKPHD-XUJLQICISA-N 1 1 346.406 0.971 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(C4CC4)nc3)CC2)C1 ZINC001046068173 766860728 /nfs/dbraw/zinc/86/07/28/766860728.db2.gz FZNYNJCWFVBHIG-QGZVFWFLSA-N 1 1 339.443 0.819 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CC=C)nn3)CC2)C1 ZINC001046068212 766861849 /nfs/dbraw/zinc/86/18/49/766861849.db2.gz HAMAIZJKFBGWED-INIZCTEOSA-N 1 1 342.447 0.320 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046068508 766862828 /nfs/dbraw/zinc/86/28/28/766862828.db2.gz MTCSUBUSODSIIQ-WBVHZDCISA-N 1 1 329.448 0.440 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068508 766862833 /nfs/dbraw/zinc/86/28/33/766862833.db2.gz MTCSUBUSODSIIQ-WBVHZDCISA-N 1 1 329.448 0.440 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068508 766862845 /nfs/dbraw/zinc/86/28/45/766862845.db2.gz MTCSUBUSODSIIQ-WBVHZDCISA-N 1 1 329.448 0.440 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)C1 ZINC001046069238 766867191 /nfs/dbraw/zinc/86/71/91/766867191.db2.gz DUXKAZKREDEPJP-CYBMUJFWSA-N 1 1 348.472 0.865 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)CC2)C1 ZINC001046075704 766900380 /nfs/dbraw/zinc/90/03/80/766900380.db2.gz XNQIXKDHLVTEOT-WMZOPIPTSA-N 1 1 343.475 0.450 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CC4CC4)c3)CC2)C1 ZINC001046076158 766901299 /nfs/dbraw/zinc/90/12/99/766901299.db2.gz CVIOGJOBWIJCOI-GOSISDBHSA-N 1 1 341.459 0.758 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4c3CCCC4)CC2)C1 ZINC001046076585 766904061 /nfs/dbraw/zinc/90/40/61/766904061.db2.gz GYHIITKVCJEJHK-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCCN(C)C3=O)CC2)C1 ZINC001046077712 766909726 /nfs/dbraw/zinc/90/97/26/766909726.db2.gz XRIRLMHFORHIIK-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC001046078301 766910438 /nfs/dbraw/zinc/91/04/38/766910438.db2.gz JJKGJGFIXNTHEL-ROUUACIJSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC001046078409 766910645 /nfs/dbraw/zinc/91/06/45/766910645.db2.gz WRRLESBYCFOMKD-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3Cl)CC2)C1 ZINC001046078573 766911629 /nfs/dbraw/zinc/91/16/29/766911629.db2.gz ZUOGUTWPPXQGCD-ZDUSSCGKSA-N 1 1 335.839 0.539 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC001046078965 766911777 /nfs/dbraw/zinc/91/17/77/766911777.db2.gz ODOQYUNUDNOJQL-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC001046079395 766913333 /nfs/dbraw/zinc/91/33/33/766913333.db2.gz VJSMDGCEVZGKTN-ROUUACIJSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3c(C)csc3=O)CC2)C1 ZINC001046082443 766921912 /nfs/dbraw/zinc/92/19/12/766921912.db2.gz RVKOPXFHUQGWIM-HNNXBMFYSA-N 1 1 348.472 0.070 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)cc(=O)[nH]c3C)CC2)C1 ZINC001046085200 766926373 /nfs/dbraw/zinc/92/63/73/766926373.db2.gz DYURTYXMGIRYNX-MRXNPFEDSA-N 1 1 342.443 0.869 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccnc3C(N)=O)CC2)C1 ZINC001046087196 766930250 /nfs/dbraw/zinc/93/02/50/766930250.db2.gz VAQVNAYELJIOKO-AWEZNQCLSA-N 1 1 343.431 0.199 20 30 ECEDMO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CO2 ZINC001053826631 766951756 /nfs/dbraw/zinc/95/17/56/766951756.db2.gz GKSBYZYKTNLRIX-WBVHZDCISA-N 1 1 347.459 0.223 20 30 ECEDMO C#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CO2 ZINC001053829598 766961216 /nfs/dbraw/zinc/96/12/16/766961216.db2.gz GYYDAFQEUHLVAF-DOTOQJQBSA-N 1 1 331.460 0.986 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCN(C)C1=O)CO2 ZINC001053841228 766988727 /nfs/dbraw/zinc/98/87/27/766988727.db2.gz DAFAAKMBQXMPDQ-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2O)c1 ZINC001083765112 766993562 /nfs/dbraw/zinc/99/35/62/766993562.db2.gz OEODZGVZGQDRNU-OIISXLGYSA-N 1 1 329.400 0.264 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)CO2 ZINC001053849954 767015872 /nfs/dbraw/zinc/01/58/72/767015872.db2.gz YURMTIIZVFTVPE-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)CO2 ZINC001053872954 767095933 /nfs/dbraw/zinc/09/59/33/767095933.db2.gz MIGKPQGEFCVWDV-HNNXBMFYSA-N 1 1 342.443 0.745 20 30 ECEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001089703359 767104133 /nfs/dbraw/zinc/10/41/33/767104133.db2.gz IDZUYUMASASRGB-OLZOCXBDSA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001046247392 767106533 /nfs/dbraw/zinc/10/65/33/767106533.db2.gz YVOGJGHMAOZLTO-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001046247392 767106536 /nfs/dbraw/zinc/10/65/36/767106536.db2.gz YVOGJGHMAOZLTO-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046247646 767106763 /nfs/dbraw/zinc/10/67/63/767106763.db2.gz HMMJZSRSDJAVRG-PKOBYXMFSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046248542 767108371 /nfs/dbraw/zinc/10/83/71/767108371.db2.gz PFJZGNBVJPMCGU-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(OC)no3)C2)C1=O ZINC001046254078 767111883 /nfs/dbraw/zinc/11/18/83/767111883.db2.gz HZVHKONQKPAUNY-SJCJKPOMSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(OC)no3)C2)C1=O ZINC001046254078 767111884 /nfs/dbraw/zinc/11/18/84/767111884.db2.gz HZVHKONQKPAUNY-SJCJKPOMSA-N 1 1 348.403 0.664 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046287181 767128456 /nfs/dbraw/zinc/12/84/56/767128456.db2.gz INLWUODVIXTIBF-YOEHRIQHSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046287181 767128458 /nfs/dbraw/zinc/12/84/58/767128458.db2.gz INLWUODVIXTIBF-YOEHRIQHSA-N 1 1 346.362 0.886 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001089729657 767133468 /nfs/dbraw/zinc/13/34/68/767133468.db2.gz RMUFGDFBFRCLCE-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001089730672 767133954 /nfs/dbraw/zinc/13/39/54/767133954.db2.gz DBZDXZBVJMEFAC-GFCCVEGCSA-N 1 1 332.404 0.340 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CO2 ZINC001053880643 767138930 /nfs/dbraw/zinc/13/89/30/767138930.db2.gz TZYQWHQFSGOLFX-YHUYYLMFSA-N 1 1 336.432 0.574 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001046311712 767141020 /nfs/dbraw/zinc/14/10/20/767141020.db2.gz KSFWMPLXNJUUJC-GJZGRUSLSA-N 1 1 349.475 0.763 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cnnn1 ZINC001089770836 767153760 /nfs/dbraw/zinc/15/37/60/767153760.db2.gz UXPPJYGTRBRPMN-DGAVXFQQSA-N 1 1 336.827 0.594 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C#N)c[nH]1 ZINC001089790210 767186520 /nfs/dbraw/zinc/18/65/20/767186520.db2.gz QUMYZHVFLVGRQC-NHIYQJMISA-N 1 1 341.415 0.415 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001046392475 767191578 /nfs/dbraw/zinc/19/15/78/767191578.db2.gz FNGYSDGBBQNFMF-VNHYZAJKSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001046392475 767191579 /nfs/dbraw/zinc/19/15/79/767191579.db2.gz FNGYSDGBBQNFMF-VNHYZAJKSA-N 1 1 344.419 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001046400687 767196919 /nfs/dbraw/zinc/19/69/19/767196919.db2.gz UFFVDICXMROBDC-DYVFJYSZSA-N 1 1 345.403 0.163 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000994898000 767208616 /nfs/dbraw/zinc/20/86/16/767208616.db2.gz ZWJHNEPYCSNRRA-PWSUYJOCSA-N 1 1 328.380 0.098 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(CCOC)nn1 ZINC001089809411 767240510 /nfs/dbraw/zinc/24/05/10/767240510.db2.gz QJONSOCQQSKZPU-MPTYRVRUSA-N 1 1 343.431 0.340 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CCC(N)=O)cc2)[C@@H](O)C1 ZINC001083767853 767275418 /nfs/dbraw/zinc/27/54/18/767275418.db2.gz YWBHXRATWPTASQ-SJORKVTESA-N 1 1 345.443 0.846 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046536989 767287862 /nfs/dbraw/zinc/28/78/62/767287862.db2.gz ARZVXOHYORUGJT-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046536989 767287863 /nfs/dbraw/zinc/28/78/63/767287863.db2.gz ARZVXOHYORUGJT-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001016926635 767325078 /nfs/dbraw/zinc/32/50/78/767325078.db2.gz PJCMUEDBUHJEDP-CZUORRHYSA-N 1 1 327.432 0.904 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001016926635 767325086 /nfs/dbraw/zinc/32/50/86/767325086.db2.gz PJCMUEDBUHJEDP-CZUORRHYSA-N 1 1 327.432 0.904 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3c1nnn3C)CO2 ZINC001053907812 767328266 /nfs/dbraw/zinc/32/82/66/767328266.db2.gz DULLJDLDGCPJRD-GFCCVEGCSA-N 1 1 342.403 0.513 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 ZINC001046582495 767329414 /nfs/dbraw/zinc/32/94/14/767329414.db2.gz WGKUODBKBOIKKX-CXTNEJHOSA-N 1 1 328.420 0.853 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001046604240 767355390 /nfs/dbraw/zinc/35/53/90/767355390.db2.gz HLBHTXICZZETLW-YJYMSZOUSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001046604240 767355393 /nfs/dbraw/zinc/35/53/93/767355393.db2.gz HLBHTXICZZETLW-YJYMSZOUSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC001089830158 767383056 /nfs/dbraw/zinc/38/30/56/767383056.db2.gz AUKWYFMUQMVTOR-FZKCQIBNSA-N 1 1 332.448 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1snc(C)c1C#N ZINC001106155032 767392275 /nfs/dbraw/zinc/39/22/75/767392275.db2.gz RTPBEZCJXQFCFR-JSGCOSHPSA-N 1 1 347.444 0.310 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1snc(C)c1C#N ZINC001106155032 767392285 /nfs/dbraw/zinc/39/22/85/767392285.db2.gz RTPBEZCJXQFCFR-JSGCOSHPSA-N 1 1 347.444 0.310 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nnnn3CC1)CO2 ZINC001053932043 767393846 /nfs/dbraw/zinc/39/38/46/767393846.db2.gz JWXVWTPWJGAYEM-KBPBESRZSA-N 1 1 346.435 0.161 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001106154258 767404895 /nfs/dbraw/zinc/40/48/95/767404895.db2.gz GDHIBDYFKTXPOA-CABCVRRESA-N 1 1 331.420 0.080 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1ncn(C)c1=O ZINC001089838653 767434762 /nfs/dbraw/zinc/43/47/62/767434762.db2.gz LVDWYBWYJZSCIF-JJXSEGSLSA-N 1 1 345.447 0.327 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)N1CCOCC1)CO2 ZINC001053956371 767446646 /nfs/dbraw/zinc/44/66/46/767446646.db2.gz FKOBMBTYDAAOBV-HNNXBMFYSA-N 1 1 337.464 0.633 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001046671960 767452824 /nfs/dbraw/zinc/45/28/24/767452824.db2.gz OBWVOOQVHBBKGS-CABCVRRESA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3nccnc3C)C2)nn1 ZINC001046681623 767471140 /nfs/dbraw/zinc/47/11/40/767471140.db2.gz QGLCCHPCCZZQPZ-QGZVFWFLSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3nccnc3C)C2)nn1 ZINC001046681623 767471144 /nfs/dbraw/zinc/47/11/44/767471144.db2.gz QGLCCHPCCZZQPZ-QGZVFWFLSA-N 1 1 341.419 0.957 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106169719 767479160 /nfs/dbraw/zinc/47/91/60/767479160.db2.gz KLIFBMDHENNEMZ-JKSUJKDBSA-N 1 1 345.447 0.963 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001106169849 767479784 /nfs/dbraw/zinc/47/97/84/767479784.db2.gz LZAPDPZJEIKKEG-HUUCEWRRSA-N 1 1 346.435 0.358 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001046685489 767481009 /nfs/dbraw/zinc/48/10/09/767481009.db2.gz UMUAMSQQGCFSSD-AWEZNQCLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cncn3C)C2)nn1 ZINC001046688870 767484888 /nfs/dbraw/zinc/48/48/88/767484888.db2.gz AOILMRYGZXNCRC-QGZVFWFLSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cncn3C)C2)nn1 ZINC001046688870 767484892 /nfs/dbraw/zinc/48/48/92/767484892.db2.gz AOILMRYGZXNCRC-QGZVFWFLSA-N 1 1 343.435 0.982 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001017038731 767494753 /nfs/dbraw/zinc/49/47/53/767494753.db2.gz LMOILXDCYJXRPA-XEBKBJJBSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCCN(C)C1=O)CO2 ZINC001053980707 767520676 /nfs/dbraw/zinc/52/06/76/767520676.db2.gz BVQBOSAVFCDCBL-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(OC)cc[nH]c1=O)CO2 ZINC001053982759 767527880 /nfs/dbraw/zinc/52/78/80/767527880.db2.gz BOABKRIGQRUMEW-GFCCVEGCSA-N 1 1 333.388 0.945 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCN(C(C)=O)CC1)CO2 ZINC001054004705 767572238 /nfs/dbraw/zinc/57/22/38/767572238.db2.gz VAXJSELUBWVSKI-INIZCTEOSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)CO2 ZINC001054006194 767576819 /nfs/dbraw/zinc/57/68/19/767576819.db2.gz VAHGELDJJMNQBN-LBPRGKRZSA-N 1 1 348.403 0.025 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc3nsnc32)C1 ZINC001078300408 782639079 /nfs/dbraw/zinc/63/90/79/782639079.db2.gz TWVUTSULPIBNNR-ZIAGYGMSSA-N 1 1 332.429 0.971 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001054032986 767632353 /nfs/dbraw/zinc/63/23/53/767632353.db2.gz LLEDKFJWWNTNOW-QZTJIDSGSA-N 1 1 328.412 0.968 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](CCN3C(=O)CCC3=O)C2)C1 ZINC001054099494 767686711 /nfs/dbraw/zinc/68/67/11/767686711.db2.gz JJUIDVPEKSQAQC-KDOFPFPSSA-N 1 1 346.431 0.610 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001060476430 767688323 /nfs/dbraw/zinc/68/83/23/767688323.db2.gz MUBUPAYKVDDZGC-UYLCMAPUSA-N 1 1 326.404 0.097 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001054133482 767729968 /nfs/dbraw/zinc/72/99/68/767729968.db2.gz DPTYSUPLGVADPE-QGZVFWFLSA-N 1 1 346.435 0.268 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001054167169 767765797 /nfs/dbraw/zinc/76/57/97/767765797.db2.gz RMFSRQBJMKCALM-SFHVURJKSA-N 1 1 347.463 0.863 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@]2(CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001054188457 767788279 /nfs/dbraw/zinc/78/82/79/767788279.db2.gz NOWUYVSDTHDIOP-LJQANCHMSA-N 1 1 325.412 0.838 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CCS(=O)(=O)CC1)C2 ZINC001054206439 767803528 /nfs/dbraw/zinc/80/35/28/767803528.db2.gz IQROSGIEVLBICH-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CCS(=O)(=O)CC1)C2 ZINC001054206439 767803535 /nfs/dbraw/zinc/80/35/35/767803535.db2.gz IQROSGIEVLBICH-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@]3(CC[N@H+](CCO)C3)C2)nn1 ZINC001054212529 767809987 /nfs/dbraw/zinc/80/99/87/767809987.db2.gz JAVHGJGNUTYPGB-QGZVFWFLSA-N 1 1 333.436 0.775 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001054214423 767812122 /nfs/dbraw/zinc/81/21/22/767812122.db2.gz XEOJCBKUICGUDQ-GOSISDBHSA-N 1 1 331.416 0.377 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cnccc1=O)C2 ZINC001054222046 767827412 /nfs/dbraw/zinc/82/74/12/767827412.db2.gz QXRDNLQIWFBIGR-GOSISDBHSA-N 1 1 328.416 0.581 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1nc(C)ccc1=O)C2 ZINC001054231771 767840951 /nfs/dbraw/zinc/84/09/51/767840951.db2.gz ZSUPQOMTYQTHTE-IBGZPJMESA-N 1 1 342.443 0.890 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1cncc(C#N)n1 ZINC001106628085 768527163 /nfs/dbraw/zinc/52/71/63/768527163.db2.gz ROOGIRVYDIPMEF-HIFRSBDPSA-N 1 1 326.404 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1cncc(C#N)n1 ZINC001106628085 768527167 /nfs/dbraw/zinc/52/71/67/768527167.db2.gz ROOGIRVYDIPMEF-HIFRSBDPSA-N 1 1 326.404 0.753 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1ccnc(C#N)n1 ZINC001106628467 768527983 /nfs/dbraw/zinc/52/79/83/768527983.db2.gz XMHWFRMGZKBCPK-KGLIPLIRSA-N 1 1 326.404 0.174 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1ccnc(C#N)n1 ZINC001106628467 768527986 /nfs/dbraw/zinc/52/79/86/768527986.db2.gz XMHWFRMGZKBCPK-KGLIPLIRSA-N 1 1 326.404 0.174 20 30 ECEDMO C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106641687 768545249 /nfs/dbraw/zinc/54/52/49/768545249.db2.gz CMHYUACKXIQRDN-OUCADQQQSA-N 1 1 332.408 0.374 20 30 ECEDMO C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106641687 768545253 /nfs/dbraw/zinc/54/52/53/768545253.db2.gz CMHYUACKXIQRDN-OUCADQQQSA-N 1 1 332.408 0.374 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)C1 ZINC001055064213 768552199 /nfs/dbraw/zinc/55/21/99/768552199.db2.gz LKOLAJMVXKBQID-XGUBFFRZSA-N 1 1 340.431 0.916 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C ZINC001106678561 768589353 /nfs/dbraw/zinc/58/93/53/768589353.db2.gz SZRRGUMPQGXDMU-HZSPNIEDSA-N 1 1 348.451 0.112 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1C ZINC001106678561 768589357 /nfs/dbraw/zinc/58/93/57/768589357.db2.gz SZRRGUMPQGXDMU-HZSPNIEDSA-N 1 1 348.451 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCCOC)C[C@H]2C1 ZINC001055195991 768656480 /nfs/dbraw/zinc/65/64/80/768656480.db2.gz CAZHJAKGUPCFCM-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCCOC)C[C@H]2C1 ZINC001055195991 768656483 /nfs/dbraw/zinc/65/64/83/768656483.db2.gz CAZHJAKGUPCFCM-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055223950 768681483 /nfs/dbraw/zinc/68/14/83/768681483.db2.gz BWMIIWBYGPFTFD-LUKYLMHMSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055223953 768681651 /nfs/dbraw/zinc/68/16/51/768681651.db2.gz BWMIIWBYGPFTFD-VVLHAWIVSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@@H]2C1 ZINC001055237781 768693605 /nfs/dbraw/zinc/69/36/05/768693605.db2.gz NALCEKDLVIPTGX-YVSFHVDLSA-N 1 1 347.459 0.733 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268348 768724249 /nfs/dbraw/zinc/72/42/49/768724249.db2.gz HOXWAHQHJAHTJB-XHSDSOJGSA-N 1 1 335.448 0.590 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268348 768724250 /nfs/dbraw/zinc/72/42/50/768724250.db2.gz HOXWAHQHJAHTJB-XHSDSOJGSA-N 1 1 335.448 0.590 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 ZINC001055294769 768748982 /nfs/dbraw/zinc/74/89/82/768748982.db2.gz NAPSUMFGKJOPIO-APIJFGDWSA-N 1 1 326.404 0.668 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)C1 ZINC001055296660 768751577 /nfs/dbraw/zinc/75/15/77/768751577.db2.gz VKBDYKNCIOVFOK-SIXLDLHFSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)C1 ZINC001055296660 768751581 /nfs/dbraw/zinc/75/15/81/768751581.db2.gz VKBDYKNCIOVFOK-SIXLDLHFSA-N 1 1 341.415 0.510 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001055313476 768769550 /nfs/dbraw/zinc/76/95/50/768769550.db2.gz RUVCRLJSVWADHD-ZXFNITATSA-N 1 1 335.448 0.182 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001055339910 768796578 /nfs/dbraw/zinc/79/65/78/768796578.db2.gz KWFNEYKZDVIKBQ-HRCADAONSA-N 1 1 335.448 0.282 20 30 ECEDMO Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)n1 ZINC001055341527 768799811 /nfs/dbraw/zinc/79/98/11/768799811.db2.gz IDNMDGUSYAAYKA-MIGQKNRLSA-N 1 1 340.431 0.834 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001018152949 768807865 /nfs/dbraw/zinc/80/78/65/768807865.db2.gz RAZZWUPSIXDCRT-QLFBSQMISA-N 1 1 329.404 0.552 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001018152949 768807873 /nfs/dbraw/zinc/80/78/73/768807873.db2.gz RAZZWUPSIXDCRT-QLFBSQMISA-N 1 1 329.404 0.552 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357564 768812650 /nfs/dbraw/zinc/81/26/50/768812650.db2.gz SXNWXCNFAHVAKJ-BPKGMFCQSA-N 1 1 349.475 0.835 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001055381063 768839317 /nfs/dbraw/zinc/83/93/17/768839317.db2.gz RCGTXPGSCCBKJU-HRCADAONSA-N 1 1 346.431 0.699 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001055381103 768839570 /nfs/dbraw/zinc/83/95/70/768839570.db2.gz SUMREYVLCRSELV-VVLHAWIVSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001055381100 768839734 /nfs/dbraw/zinc/83/97/34/768839734.db2.gz SUMREYVLCRSELV-LUKYLMHMSA-N 1 1 349.475 0.836 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H]1C ZINC000993371953 768904586 /nfs/dbraw/zinc/90/45/86/768904586.db2.gz ZEAHWMNDKNLLAB-ZIAGYGMSSA-N 1 1 332.452 0.963 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc(C)n(C)c1=O ZINC001018226388 768918130 /nfs/dbraw/zinc/91/81/30/768918130.db2.gz IKEBQBWTLYALHG-GASCZTMLSA-N 1 1 333.436 0.532 20 30 ECEDMO Cc1cc(C(=O)NCC[NH+]2CCC(NC(=O)C#CC(C)C)CC2)no1 ZINC001055511346 768979116 /nfs/dbraw/zinc/97/91/16/768979116.db2.gz ASAWPLHFROJEJY-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993424811 769042939 /nfs/dbraw/zinc/04/29/39/769042939.db2.gz ZQVJMDPXMNDKQJ-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001055539232 769054541 /nfs/dbraw/zinc/05/45/41/769054541.db2.gz SMMFVHINUHWEGU-MRXNPFEDSA-N 1 1 338.496 0.990 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 ZINC001042078156 782720800 /nfs/dbraw/zinc/72/08/00/782720800.db2.gz UOISZNLHFBNCFJ-DZGCQCFKSA-N 1 1 326.462 0.920 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001106815154 769112708 /nfs/dbraw/zinc/11/27/08/769112708.db2.gz YABOKIDJNXGQEN-KRWDZBQOSA-N 1 1 328.420 0.516 20 30 ECEDMO Cc1nonc1C(=O)NC1CC[NH+](CCNC(=O)C#CC(C)C)CC1 ZINC001055572263 769148736 /nfs/dbraw/zinc/14/87/36/769148736.db2.gz ARGIRTKMVCJTRO-UHFFFAOYSA-N 1 1 347.419 0.348 20 30 ECEDMO Cc1ncoc1C(=O)NC1CC[NH+](CCNC(=O)C#CC(C)C)CC1 ZINC001055572365 769149945 /nfs/dbraw/zinc/14/99/45/769149945.db2.gz DVLJYTAQNCPLLC-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCCN2CCC(NC(C)=O)CC2)CC1 ZINC001055589968 769194542 /nfs/dbraw/zinc/19/45/42/769194542.db2.gz WPIKWXQYKGKXFL-UHFFFAOYSA-N 1 1 334.464 0.048 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001055592527 769202573 /nfs/dbraw/zinc/20/25/73/769202573.db2.gz SJTQEWWGPRXXPV-AWEZNQCLSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001055592527 769202579 /nfs/dbraw/zinc/20/25/79/769202579.db2.gz SJTQEWWGPRXXPV-AWEZNQCLSA-N 1 1 349.479 0.327 20 30 ECEDMO C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1C ZINC000993489289 769203292 /nfs/dbraw/zinc/20/32/92/769203292.db2.gz JTGZZFKIHGBLAL-UKRRQHHQSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1C ZINC000993489289 769203298 /nfs/dbraw/zinc/20/32/98/769203298.db2.gz JTGZZFKIHGBLAL-UKRRQHHQSA-N 1 1 338.473 0.804 20 30 ECEDMO COCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C#CC3CC3)C2)CC1 ZINC001018363497 769203389 /nfs/dbraw/zinc/20/33/89/769203389.db2.gz NJCPOKIEMYSBQM-KRWDZBQOSA-N 1 1 347.459 0.429 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055602154 769233901 /nfs/dbraw/zinc/23/39/01/769233901.db2.gz RIJMQELSNKTSLS-GJZGRUSLSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055602154 769233904 /nfs/dbraw/zinc/23/39/04/769233904.db2.gz RIJMQELSNKTSLS-GJZGRUSLSA-N 1 1 349.479 0.185 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H]1C ZINC000993584623 769300248 /nfs/dbraw/zinc/30/02/48/769300248.db2.gz AYPYDLBBSLFYTP-GJZGRUSLSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H]1C ZINC000993552576 769308042 /nfs/dbraw/zinc/30/80/42/769308042.db2.gz SQXJBURJIJIZGB-DGCLKSJQSA-N 1 1 328.372 0.628 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H]1C ZINC000993552576 769308055 /nfs/dbraw/zinc/30/80/55/769308055.db2.gz SQXJBURJIJIZGB-DGCLKSJQSA-N 1 1 328.372 0.628 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC000993586453 769309947 /nfs/dbraw/zinc/30/99/47/769309947.db2.gz FFXPOMBMWCTLDK-CABCVRRESA-N 1 1 341.477 0.404 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001055642867 769332020 /nfs/dbraw/zinc/33/20/20/769332020.db2.gz PKZICHKITHVSJM-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001055642867 769332026 /nfs/dbraw/zinc/33/20/26/769332026.db2.gz PKZICHKITHVSJM-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H]1C ZINC000993603312 769348361 /nfs/dbraw/zinc/34/83/61/769348361.db2.gz MNJBSOXQIPYDJE-OCCSQVGLSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H]1C ZINC000993587783 769375514 /nfs/dbraw/zinc/37/55/14/769375514.db2.gz OYOKOCXKHNYTJB-UONOGXRCSA-N 1 1 332.404 0.106 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H]1C ZINC000993671847 769459036 /nfs/dbraw/zinc/45/90/36/769459036.db2.gz NODVFZUXPLQMNQ-LSDHHAIUSA-N 1 1 341.415 0.488 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000993683247 769474357 /nfs/dbraw/zinc/47/43/57/769474357.db2.gz ABVSGALXWCEKPI-DOMZBBRYSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993683247 769474363 /nfs/dbraw/zinc/47/43/63/769474363.db2.gz ABVSGALXWCEKPI-DOMZBBRYSA-N 1 1 339.403 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@H]1C ZINC000993683146 769475097 /nfs/dbraw/zinc/47/50/97/769475097.db2.gz LJKGWGWXQSNPHZ-HUUCEWRRSA-N 1 1 330.436 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@H]1C ZINC000993683146 769475099 /nfs/dbraw/zinc/47/50/99/769475099.db2.gz LJKGWGWXQSNPHZ-HUUCEWRRSA-N 1 1 330.436 0.935 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000993806235 769650215 /nfs/dbraw/zinc/65/02/15/769650215.db2.gz KUMYMURGYPQNQT-SJORKVTESA-N 1 1 346.475 0.285 20 30 ECEDMO CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078358435 782768772 /nfs/dbraw/zinc/76/87/72/782768772.db2.gz PPLMHXCROFRKLS-UONOGXRCSA-N 1 1 349.439 0.340 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1C1CC1 ZINC001078360072 782772922 /nfs/dbraw/zinc/77/29/22/782772922.db2.gz KSOBLDVYIWCPLQ-IUODEOHRSA-N 1 1 346.435 0.788 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000993835335 769723799 /nfs/dbraw/zinc/72/37/99/769723799.db2.gz QMXIMUOEQMOVMX-TXEJJXNPSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)n1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078358309 782767195 /nfs/dbraw/zinc/76/71/95/782767195.db2.gz NROWDEVQQVKZMY-KBPBESRZSA-N 1 1 334.424 0.726 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@@H]2CCCO2)[C@H](C)C1 ZINC000993906837 769861451 /nfs/dbraw/zinc/86/14/51/769861451.db2.gz FFRGCPHUOAKFAR-NCOADZHNSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@@H]2CCCO2)[C@H](C)C1 ZINC000993906837 769861465 /nfs/dbraw/zinc/86/14/65/769861465.db2.gz FFRGCPHUOAKFAR-NCOADZHNSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)[C@@H]2C)nn1 ZINC000993942164 769917998 /nfs/dbraw/zinc/91/79/98/769917998.db2.gz CLOLGEBVUUVNOQ-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)[C@@H]2C)nn1 ZINC000993942164 769918004 /nfs/dbraw/zinc/91/80/04/769918004.db2.gz CLOLGEBVUUVNOQ-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994028127 770042051 /nfs/dbraw/zinc/04/20/51/770042051.db2.gz DLKHEOZKKZPBFD-VHDGCEQUSA-N 1 1 343.431 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)/C(C)=C/C)C1 ZINC001055872418 770048261 /nfs/dbraw/zinc/04/82/61/770048261.db2.gz HADUFGRYQRYRMS-ZBJAOVMFSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)/C(C)=C/C)C1 ZINC001055872418 770048274 /nfs/dbraw/zinc/04/82/74/770048274.db2.gz HADUFGRYQRYRMS-ZBJAOVMFSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cn(C)nc2CC)C1 ZINC000994077576 770107458 /nfs/dbraw/zinc/10/74/58/770107458.db2.gz ZRCLVIHWRKNVQT-INIZCTEOSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cn(C)nc2CC)C1 ZINC000994077576 770107467 /nfs/dbraw/zinc/10/74/67/770107467.db2.gz ZRCLVIHWRKNVQT-INIZCTEOSA-N 1 1 343.431 0.021 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001018879654 770175071 /nfs/dbraw/zinc/17/50/71/770175071.db2.gz HPMSZSCAKDOTJK-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C ZINC000994176055 770260495 /nfs/dbraw/zinc/26/04/95/770260495.db2.gz JJZTYLXRYGREFO-CABCVRRESA-N 1 1 347.463 0.926 20 30 ECEDMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCCO2)n1 ZINC001078384468 782822811 /nfs/dbraw/zinc/82/28/11/782822811.db2.gz WYNTXAPAKRYESG-OAHLLOKOSA-N 1 1 343.391 0.036 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@@H]1C ZINC000994206444 770302873 /nfs/dbraw/zinc/30/28/73/770302873.db2.gz CKTQORTXQGPGCF-QWRGUYRKSA-N 1 1 334.376 0.502 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC000994207021 770305919 /nfs/dbraw/zinc/30/59/19/770305919.db2.gz FIAWNNZNFLTLPY-NEPJUHHUSA-N 1 1 330.392 0.576 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC(C)(C)C1 ZINC001089358701 770400554 /nfs/dbraw/zinc/40/05/54/770400554.db2.gz YIIFZMOMTHLSDC-GFCCVEGCSA-N 1 1 331.420 0.853 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](CC(C)C)C(N)=O)C2)nn1 ZINC001098797306 770405948 /nfs/dbraw/zinc/40/59/48/770405948.db2.gz QOGHTDAAKDCZRP-LSDHHAIUSA-N 1 1 348.451 0.475 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001042138030 782836221 /nfs/dbraw/zinc/83/62/21/782836221.db2.gz KBXKGDOZGLRKCB-XJKSGUPXSA-N 1 1 328.416 0.684 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056014654 770554682 /nfs/dbraw/zinc/55/46/82/770554682.db2.gz VHMQZKXOGGCAQJ-SFHVURJKSA-N 1 1 344.415 0.075 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@H]1C ZINC000994335271 770634625 /nfs/dbraw/zinc/63/46/25/770634625.db2.gz GXIMKTRAFFKENS-KGLIPLIRSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@H]1C ZINC000994335271 770634630 /nfs/dbraw/zinc/63/46/30/770634630.db2.gz GXIMKTRAFFKENS-KGLIPLIRSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4c(c3)nnn4C)C[C@@H]21 ZINC001042156751 782866468 /nfs/dbraw/zinc/86/64/68/782866468.db2.gz VYMBNEZQCNSQIT-BBRMVZONSA-N 1 1 338.415 0.923 20 30 ECEDMO CCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001078398344 782869793 /nfs/dbraw/zinc/86/97/93/782869793.db2.gz NALHKPXHRTVBST-INIZCTEOSA-N 1 1 345.447 0.727 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001056236967 771028748 /nfs/dbraw/zinc/02/87/48/771028748.db2.gz ZFTZEZGSJNFWSE-LQKXBSAESA-N 1 1 340.431 0.773 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC001019258582 771069460 /nfs/dbraw/zinc/06/94/60/771069460.db2.gz HGJADFPYHKMNCJ-XHSDSOJGSA-N 1 1 334.464 0.448 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042182296 782903679 /nfs/dbraw/zinc/90/36/79/782903679.db2.gz DLYNEMUXDVGOOG-KGLIPLIRSA-N 1 1 340.855 0.094 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042182296 782903682 /nfs/dbraw/zinc/90/36/82/782903682.db2.gz DLYNEMUXDVGOOG-KGLIPLIRSA-N 1 1 340.855 0.094 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c(C)noc3C)C2)C1=O ZINC001031541201 771253465 /nfs/dbraw/zinc/25/34/65/771253465.db2.gz BEZCQPXLUVNXHG-AWEZNQCLSA-N 1 1 332.404 0.740 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c(C)noc3C)C2)C1=O ZINC001031541203 771253751 /nfs/dbraw/zinc/25/37/51/771253751.db2.gz BEZCQPXLUVNXHG-CQSZACIVSA-N 1 1 332.404 0.740 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001056451117 771281571 /nfs/dbraw/zinc/28/15/71/771281571.db2.gz MIDCTHYTHGGEHY-QSJFSLAZSA-N 1 1 340.431 0.773 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001056451116 771281624 /nfs/dbraw/zinc/28/16/24/771281624.db2.gz MIDCTHYTHGGEHY-DLTWYDFYSA-N 1 1 340.431 0.773 20 30 ECEDMO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031578187 771325184 /nfs/dbraw/zinc/32/51/84/771325184.db2.gz HEULYSMGGUVTBW-IAGOWNOFSA-N 1 1 326.396 0.895 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nccc(C)n3)C2)nn1 ZINC001019483297 771346873 /nfs/dbraw/zinc/34/68/73/771346873.db2.gz MSRSPWZYOKBHAH-ZDUSSCGKSA-N 1 1 327.392 0.567 20 30 ECEDMO CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C2)cn1 ZINC001212240874 771350714 /nfs/dbraw/zinc/35/07/14/771350714.db2.gz FSQXKYOHLXFYDH-IAGOWNOFSA-N 1 1 332.448 0.920 20 30 ECEDMO CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C2)cn1 ZINC001212240874 771350717 /nfs/dbraw/zinc/35/07/17/771350717.db2.gz FSQXKYOHLXFYDH-IAGOWNOFSA-N 1 1 332.448 0.920 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001060732956 771364070 /nfs/dbraw/zinc/36/40/70/771364070.db2.gz ZLTPCLBHLMMKLV-BRWVUGGUSA-N 1 1 349.475 0.912 20 30 ECEDMO CN(CCOCCNc1ncc(C#N)cc1F)C(=O)Cc1c[nH]cn1 ZINC001127504992 771380347 /nfs/dbraw/zinc/38/03/47/771380347.db2.gz HYPIPTHENCCVCH-UHFFFAOYSA-N 1 1 346.366 0.945 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C#CC(C)C ZINC001212241457 771384952 /nfs/dbraw/zinc/38/49/52/771384952.db2.gz RPQHEJBKEZWLKS-BRWVUGGUSA-N 1 1 338.448 0.657 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C#CC(C)C ZINC001212241457 771384956 /nfs/dbraw/zinc/38/49/56/771384956.db2.gz RPQHEJBKEZWLKS-BRWVUGGUSA-N 1 1 338.448 0.657 20 30 ECEDMO Cc1cc(N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001056599873 771420050 /nfs/dbraw/zinc/42/00/50/771420050.db2.gz RWAKQNSGJNSEQA-ZBFHGGJFSA-N 1 1 329.404 0.027 20 30 ECEDMO Cc1cc(N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001056599873 771420054 /nfs/dbraw/zinc/42/00/54/771420054.db2.gz RWAKQNSGJNSEQA-ZBFHGGJFSA-N 1 1 329.404 0.027 20 30 ECEDMO CN(CCOCCNc1cnc(C#N)cn1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001127517673 771442642 /nfs/dbraw/zinc/44/26/42/771442642.db2.gz NJTVSRGNUBAUIO-OAHLLOKOSA-N 1 1 346.435 0.719 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCCO1 ZINC001089547837 771448393 /nfs/dbraw/zinc/44/83/93/771448393.db2.gz GSNADYCVVSLUST-HNNXBMFYSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001056630885 771449578 /nfs/dbraw/zinc/44/95/78/771449578.db2.gz WFOGGYCYYLXHMX-JKSUJKDBSA-N 1 1 346.431 0.844 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCCO1 ZINC001089548741 771454603 /nfs/dbraw/zinc/45/46/03/771454603.db2.gz NZWQDSVYXRXJKG-HNNXBMFYSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)CC(C)(C)C1 ZINC001089555854 771473360 /nfs/dbraw/zinc/47/33/60/771473360.db2.gz NBJNPYKAENPUFR-GFCCVEGCSA-N 1 1 331.420 0.982 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@@H]21 ZINC001042200474 782928245 /nfs/dbraw/zinc/92/82/45/782928245.db2.gz DRVNKMLJJSDXGV-ZFWWWQNUSA-N 1 1 329.400 0.867 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001056667910 771492524 /nfs/dbraw/zinc/49/25/24/771492524.db2.gz WTKNGGUYLIEIKX-IXDOHACOSA-N 1 1 349.475 0.816 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC(C)(C)C1 ZINC001089565182 771512439 /nfs/dbraw/zinc/51/24/39/771512439.db2.gz PBTZZAPJLPUYCH-CYBMUJFWSA-N 1 1 346.435 0.007 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnnc(C)c3)C2)C1=O ZINC001031635396 771552016 /nfs/dbraw/zinc/55/20/16/771552016.db2.gz RXDMCYQFCFHPJO-HNNXBMFYSA-N 1 1 329.404 0.234 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCCO1 ZINC001019611150 771592406 /nfs/dbraw/zinc/59/24/06/771592406.db2.gz BYVUOZYMKIXQAF-YVSFHVDLSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCCO1 ZINC001019611150 771592411 /nfs/dbraw/zinc/59/24/11/771592411.db2.gz BYVUOZYMKIXQAF-YVSFHVDLSA-N 1 1 347.459 0.474 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)cc1 ZINC001042211694 782945372 /nfs/dbraw/zinc/94/53/72/782945372.db2.gz UEINPZPTLYWRDC-ZBFHGGJFSA-N 1 1 342.399 0.497 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2cnns2)C1 ZINC001019673312 771701544 /nfs/dbraw/zinc/70/15/44/771701544.db2.gz MJWCHGPHPQRFCB-LBPRGKRZSA-N 1 1 343.412 0.949 20 30 ECEDMO CN(c1ccc(C#N)nc1)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001056879998 771757639 /nfs/dbraw/zinc/75/76/39/771757639.db2.gz RPRRLMONBJWTBL-HZPDHXFCSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ccc(C#N)nc1)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001056879998 771757642 /nfs/dbraw/zinc/75/76/42/771757642.db2.gz RPRRLMONBJWTBL-HZPDHXFCSA-N 1 1 329.404 0.321 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)nc3)C2)C1 ZINC001056930327 771821471 /nfs/dbraw/zinc/82/14/71/771821471.db2.gz HLIQKDOTBNRKSG-IRXDYDNUSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)nc3)C2)C1 ZINC001056930327 771821477 /nfs/dbraw/zinc/82/14/77/771821477.db2.gz HLIQKDOTBNRKSG-IRXDYDNUSA-N 1 1 343.431 0.711 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N(C)c2nc(C)cc(C#N)n2)C1 ZINC001056988937 771915051 /nfs/dbraw/zinc/91/50/51/771915051.db2.gz BELBKWKTCMDPHG-OAHLLOKOSA-N 1 1 339.403 0.899 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 ZINC001056989369 771915573 /nfs/dbraw/zinc/91/55/73/771915573.db2.gz NKQDOHGMELWRRX-CQSZACIVSA-N 1 1 325.376 0.591 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nnc4c3CCCC4)C[C@H]21 ZINC001042237439 782967556 /nfs/dbraw/zinc/96/75/56/782967556.db2.gz GRERNPOEDUXTKI-WMLDXEAASA-N 1 1 327.432 0.713 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057027928 771963854 /nfs/dbraw/zinc/96/38/54/771963854.db2.gz SUWJWFXWSPZPGD-HIFRSBDPSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001057053149 772002556 /nfs/dbraw/zinc/00/25/56/772002556.db2.gz XNFHMDLFYPSYFG-BPLDGKMQSA-N 1 1 328.420 0.726 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3cnc(C#N)cn3)C2)O1 ZINC001057062959 772020221 /nfs/dbraw/zinc/02/02/21/772020221.db2.gz URNLMWDVAUASKO-BPLDGKMQSA-N 1 1 344.419 0.104 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3cnc(C#N)cn3)C2)O1 ZINC001057062959 772020228 /nfs/dbraw/zinc/02/02/28/772020228.db2.gz URNLMWDVAUASKO-BPLDGKMQSA-N 1 1 344.419 0.104 20 30 ECEDMO COCCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001020088160 772143916 /nfs/dbraw/zinc/14/39/16/772143916.db2.gz CLDYUDRENWRFHF-HAQNSBGRSA-N 1 1 344.375 0.509 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001057144035 772159785 /nfs/dbraw/zinc/15/97/85/772159785.db2.gz HYWUVPOVBKQRFV-HNNXBMFYSA-N 1 1 343.468 0.247 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccncc3C#N)CC2)C1 ZINC001057146648 772165137 /nfs/dbraw/zinc/16/51/37/772165137.db2.gz HIKLQIMSYIAODQ-QGZVFWFLSA-N 1 1 343.431 0.713 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccncc3C#N)CC2)C1 ZINC001057146648 772165139 /nfs/dbraw/zinc/16/51/39/772165139.db2.gz HIKLQIMSYIAODQ-QGZVFWFLSA-N 1 1 343.431 0.713 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057168426 772208914 /nfs/dbraw/zinc/20/89/14/772208914.db2.gz GASOVNWXSYVKPT-HOTGVXAUSA-N 1 1 337.464 0.764 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CCC[C@H]1C)NC(=O)c1c[nH]c(C#N)c1 ZINC001078465845 782997080 /nfs/dbraw/zinc/99/70/80/782997080.db2.gz LNEXLHGPFGYYPC-QWHCGFSZSA-N 1 1 331.420 0.995 20 30 ECEDMO C=CCC(CC=C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057212134 772286219 /nfs/dbraw/zinc/28/62/19/772286219.db2.gz JMKDZHCIBXMDOV-INIZCTEOSA-N 1 1 337.464 0.786 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(C)(C)O)[C@H]1C ZINC001020221963 772306517 /nfs/dbraw/zinc/30/65/17/772306517.db2.gz OBXJFHAZJLVGNN-KKUMJFAQSA-N 1 1 335.448 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(C)(C)O)[C@H]1C ZINC001020221963 772306522 /nfs/dbraw/zinc/30/65/22/772306522.db2.gz OBXJFHAZJLVGNN-KKUMJFAQSA-N 1 1 335.448 0.351 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2noc(C3CC3)n2)C1 ZINC001020251451 772352784 /nfs/dbraw/zinc/35/27/84/772352784.db2.gz NJZMLDCCHYFGKE-KKUMJFAQSA-N 1 1 343.431 0.781 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2noc(C3CC3)n2)C1 ZINC001020251451 772352789 /nfs/dbraw/zinc/35/27/89/772352789.db2.gz NJZMLDCCHYFGKE-KKUMJFAQSA-N 1 1 343.431 0.781 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)c1c[nH]c(C#N)c1 ZINC001078471430 783014487 /nfs/dbraw/zinc/01/44/87/783014487.db2.gz SLMIZYWCPGIYOI-STQMWFEESA-N 1 1 331.420 0.853 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)C ZINC001057525454 772718078 /nfs/dbraw/zinc/71/80/78/772718078.db2.gz UJPKNIQVTKEQGW-MRXNPFEDSA-N 1 1 337.464 0.457 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057525439 772718185 /nfs/dbraw/zinc/71/81/85/772718185.db2.gz TUDGNEJXBYKDHT-IRXDYDNUSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057598812 772794575 /nfs/dbraw/zinc/79/45/75/772794575.db2.gz ICRSMNCFFLJREX-HZPDHXFCSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057636566 772844596 /nfs/dbraw/zinc/84/45/96/772844596.db2.gz UIGVBWMLTIARLL-RHSMWYFYSA-N 1 1 325.453 0.478 20 30 ECEDMO C=C1CCC(C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001057642625 772854165 /nfs/dbraw/zinc/85/41/65/772854165.db2.gz RRLMGRPUXTUCOC-UHFFFAOYSA-N 1 1 348.447 0.875 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057741616 772958185 /nfs/dbraw/zinc/95/81/85/772958185.db2.gz WECGVMKXFGUHOD-HUUCEWRRSA-N 1 1 339.480 0.866 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001057775497 772976003 /nfs/dbraw/zinc/97/60/03/772976003.db2.gz VSPFAIDLVVSVPR-ZIAGYGMSSA-N 1 1 328.420 0.657 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057791538 772987596 /nfs/dbraw/zinc/98/75/96/772987596.db2.gz VZQIRDSGBBDZJL-CQSZACIVSA-N 1 1 328.420 0.633 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(c2nccnc2C#N)CC1 ZINC001057811956 773014885 /nfs/dbraw/zinc/01/48/85/773014885.db2.gz MXMLTPFXDFEJCV-DZGCQCFKSA-N 1 1 342.447 0.879 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001057873100 773106297 /nfs/dbraw/zinc/10/62/97/773106297.db2.gz COIPBDNMYINWQP-UHFFFAOYSA-N 1 1 325.376 0.638 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)C1 ZINC001057873535 773106965 /nfs/dbraw/zinc/10/69/65/773106965.db2.gz CVUQVOWYCZNJKQ-HUUCEWRRSA-N 1 1 338.452 0.061 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(c2cncc(C#N)n2)CC1 ZINC001057945740 773245864 /nfs/dbraw/zinc/24/58/64/773245864.db2.gz FPPPLPXROFPMBF-DOMZBBRYSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC12CCC2 ZINC001057962409 773295267 /nfs/dbraw/zinc/29/52/67/773295267.db2.gz VDJOAGDQJGKJTQ-CVEARBPZSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC12CCC2 ZINC001057962409 773295272 /nfs/dbraw/zinc/29/52/72/773295272.db2.gz VDJOAGDQJGKJTQ-CVEARBPZSA-N 1 1 347.459 0.211 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001057966700 773302628 /nfs/dbraw/zinc/30/26/28/773302628.db2.gz PTNBGEUYQPBQDE-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001057973944 773317694 /nfs/dbraw/zinc/31/76/94/773317694.db2.gz FGAOYUWRESKMQR-DLBZAZTESA-N 1 1 349.475 0.744 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCN(c2ccncc2C#N)CC1 ZINC001058043581 773416535 /nfs/dbraw/zinc/41/65/35/773416535.db2.gz XMJCKKXMCTUJPS-QGZVFWFLSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCN(c2ccncc2C#N)CC1 ZINC001058043581 773416538 /nfs/dbraw/zinc/41/65/38/773416538.db2.gz XMJCKKXMCTUJPS-QGZVFWFLSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCN(c2ccc(C#N)nc2)CC1 ZINC001058043391 773416566 /nfs/dbraw/zinc/41/65/66/773416566.db2.gz MFCHXHJGKAYTHF-QGZVFWFLSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCN(c2ccc(C#N)nc2)CC1 ZINC001058043391 773416569 /nfs/dbraw/zinc/41/65/69/773416569.db2.gz MFCHXHJGKAYTHF-QGZVFWFLSA-N 1 1 343.431 0.711 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001040608439 783095067 /nfs/dbraw/zinc/09/50/67/783095067.db2.gz AZFKASAYAINHFU-IBGZPJMESA-N 1 1 349.475 0.744 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058073961 773478376 /nfs/dbraw/zinc/47/83/76/773478376.db2.gz GXJFFMOMLMFPDB-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001040612949 783101739 /nfs/dbraw/zinc/10/17/39/783101739.db2.gz HNQXOXZLVJZRJQ-LPHOPBHVSA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058176720 773706806 /nfs/dbraw/zinc/70/68/06/773706806.db2.gz FKUSWMGNOYTQDC-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058211912 773782192 /nfs/dbraw/zinc/78/21/92/773782192.db2.gz TVJPOTKYSRLKLT-ZDUSSCGKSA-N 1 1 325.376 0.638 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)C2)O1 ZINC001058263867 773875942 /nfs/dbraw/zinc/87/59/42/773875942.db2.gz CCLFQIULQNNJLV-FVQBIDKESA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)C2)O1 ZINC001058263867 773875945 /nfs/dbraw/zinc/87/59/45/773875945.db2.gz CCLFQIULQNNJLV-FVQBIDKESA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)O1 ZINC001058264320 773876473 /nfs/dbraw/zinc/87/64/73/773876473.db2.gz TVZCJPABDHXVJZ-MGPQQGTHSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)O1 ZINC001058264320 773876478 /nfs/dbraw/zinc/87/64/78/773876478.db2.gz TVZCJPABDHXVJZ-MGPQQGTHSA-N 1 1 344.419 0.152 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001058273503 773900040 /nfs/dbraw/zinc/90/00/40/773900040.db2.gz NRABJKDBRWXXCT-QGZVFWFLSA-N 1 1 343.427 0.313 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039809246 783133842 /nfs/dbraw/zinc/13/38/42/783133842.db2.gz SRUXXVACWWVIRI-LPHOPBHVSA-N 1 1 349.475 0.786 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 ZINC001058381779 774068995 /nfs/dbraw/zinc/06/89/95/774068995.db2.gz UFISGGVGDLDFQC-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 ZINC001058381778 774069193 /nfs/dbraw/zinc/06/91/93/774069193.db2.gz UFISGGVGDLDFQC-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001058403854 774115835 /nfs/dbraw/zinc/11/58/35/774115835.db2.gz ZURPDGYBDNBXHE-KBPBESRZSA-N 1 1 328.420 0.693 20 30 ECEDMO C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001039823511 783156552 /nfs/dbraw/zinc/15/65/52/783156552.db2.gz RKKJRJZMSFPWMF-KBXCAEBGSA-N 1 1 337.464 0.763 20 30 ECEDMO N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)nn1 ZINC001058469930 774245620 /nfs/dbraw/zinc/24/56/20/774245620.db2.gz VIQJYBBZQZXWIY-KGLIPLIRSA-N 1 1 337.387 0.817 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)C1 ZINC001058480232 774268933 /nfs/dbraw/zinc/26/89/33/774268933.db2.gz FKDYJFQWZISQFL-GJZGRUSLSA-N 1 1 338.452 0.205 20 30 ECEDMO C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039859211 783201810 /nfs/dbraw/zinc/20/18/10/783201810.db2.gz YTRUZGQXQXYMAO-RKVPGOIHSA-N 1 1 337.464 0.763 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C#CC(C)C)C2)CC[N@H+]1C ZINC001039867866 783205491 /nfs/dbraw/zinc/20/54/91/783205491.db2.gz QMJXPPZNROADCJ-FRQCXROJSA-N 1 1 349.475 0.456 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001044979630 774793697 /nfs/dbraw/zinc/79/36/97/774793697.db2.gz HKEIIJTXKGNDGH-GJZGRUSLSA-N 1 1 339.480 0.866 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001045068219 774926493 /nfs/dbraw/zinc/92/64/93/774926493.db2.gz BKVYUWBLNPVAIX-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001045069086 774928916 /nfs/dbraw/zinc/92/89/16/774928916.db2.gz OIMLATBLCYOJQI-QAPCUYQASA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)c2[nH]nnc2C)C1=O ZINC001045145856 775051491 /nfs/dbraw/zinc/05/14/91/775051491.db2.gz ZWNIXPUNYYINSV-STQMWFEESA-N 1 1 332.408 0.094 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ncc(C)cn2)nn1 ZINC001045232850 775192166 /nfs/dbraw/zinc/19/21/66/775192166.db2.gz TYSZRXDZWCDBJK-AWEZNQCLSA-N 1 1 341.419 0.957 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001045238566 775200098 /nfs/dbraw/zinc/20/00/98/775200098.db2.gz ZALBGPJZNSWUAE-YDHLFZDLSA-N 1 1 334.424 0.272 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CNCc2ccn(C)n2)CC1 ZINC001045321243 775409584 /nfs/dbraw/zinc/40/95/84/775409584.db2.gz IKSIIVNLVGQEIA-SFHVURJKSA-N 1 1 343.475 0.846 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001045454924 775631262 /nfs/dbraw/zinc/63/12/62/775631262.db2.gz HEKNCTIPGIXWGI-HOTGVXAUSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001045462485 775646919 /nfs/dbraw/zinc/64/69/19/775646919.db2.gz IKVCATBVAOOCDG-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C#Cc1cncc(C(=O)NC2(C)CC[NH+](Cc3cnnn3C)CC2)c1 ZINC001045551041 775779002 /nfs/dbraw/zinc/77/90/02/775779002.db2.gz HPCVFPHLPNQDOF-UHFFFAOYSA-N 1 1 338.415 0.976 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=C)C)C[C@@H]1n1ccnn1 ZINC001070031440 790393005 /nfs/dbraw/zinc/39/30/05/790393005.db2.gz YQYQAAAYQMUZAM-WCVJEAGWSA-N 1 1 331.420 0.787 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=C)C)C[C@@H]1n1ccnn1 ZINC001070031440 790393015 /nfs/dbraw/zinc/39/30/15/790393015.db2.gz YQYQAAAYQMUZAM-WCVJEAGWSA-N 1 1 331.420 0.787 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001044192215 775889988 /nfs/dbraw/zinc/88/99/88/775889988.db2.gz WATMFNJHRIUGSS-ZACQAIPSSA-N 1 1 343.431 0.492 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CC3(CO2)CCN(CC#N)CC3)CC[N@H+]1C ZINC001045672212 776012188 /nfs/dbraw/zinc/01/21/88/776012188.db2.gz NLSFHWHYJBFDFS-OWCLPIDISA-N 1 1 334.464 0.837 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070039808 790419921 /nfs/dbraw/zinc/41/99/21/790419921.db2.gz VZECOFZMICYFID-CABCVRRESA-N 1 1 342.403 0.919 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070039808 790419928 /nfs/dbraw/zinc/41/99/28/790419928.db2.gz VZECOFZMICYFID-CABCVRRESA-N 1 1 342.403 0.919 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)CCC)C2)cc1 ZINC001044302781 776100826 /nfs/dbraw/zinc/10/08/26/776100826.db2.gz ODSUTWJMXAIFBF-UHFFFAOYSA-N 1 1 343.427 0.313 20 30 ECEDMO NC(=O)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001045738307 776116597 /nfs/dbraw/zinc/11/65/97/776116597.db2.gz VFMRPSRLTMGKDN-SJORKVTESA-N 1 1 325.412 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001044459848 776320013 /nfs/dbraw/zinc/32/00/13/776320013.db2.gz DTSQQRCGUYRCQU-GJZGRUSLSA-N 1 1 349.475 0.763 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001044470575 776330811 /nfs/dbraw/zinc/33/08/11/776330811.db2.gz PPKZLVKWHBVBDN-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCC)C[C@@H]2n2ccnn2)nn1 ZINC001070051554 790456200 /nfs/dbraw/zinc/45/62/00/790456200.db2.gz BBOJAMWMAPVYGZ-HIFRSBDPSA-N 1 1 344.423 0.511 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3coc(C)n3)C2)C1=O ZINC001079617237 776532376 /nfs/dbraw/zinc/53/23/76/776532376.db2.gz RYCNOMPDPQYDHV-UXIGCNINSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3coc(C)n3)C2)C1=O ZINC001079617237 776532379 /nfs/dbraw/zinc/53/23/79/776532379.db2.gz RYCNOMPDPQYDHV-UXIGCNINSA-N 1 1 332.404 0.820 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001079629960 776556049 /nfs/dbraw/zinc/55/60/49/776556049.db2.gz YUJDNZQXWACMMF-FZKQIMNGSA-N 1 1 340.427 0.973 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001079629960 776556058 /nfs/dbraw/zinc/55/60/58/776556058.db2.gz YUJDNZQXWACMMF-FZKQIMNGSA-N 1 1 340.427 0.973 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079648334 776606993 /nfs/dbraw/zinc/60/69/93/776606993.db2.gz PHWSHOCAYUXBEC-VCTAVGKDSA-N 1 1 346.362 0.742 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079648334 776606995 /nfs/dbraw/zinc/60/69/95/776606995.db2.gz PHWSHOCAYUXBEC-VCTAVGKDSA-N 1 1 346.362 0.742 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnn(C)n3)C[C@@H]2C)cc1 ZINC001044709868 776678312 /nfs/dbraw/zinc/67/83/12/776678312.db2.gz ZJVJBBWMSPHXRC-XJKSGUPXSA-N 1 1 338.415 0.974 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001079685393 776682039 /nfs/dbraw/zinc/68/20/39/776682039.db2.gz FVOQWUKFOKNMTC-RDJZCZTQSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1C ZINC001079879365 777013425 /nfs/dbraw/zinc/01/34/25/777013425.db2.gz OSTZOMVNXVFMGM-MCIONIFRSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1C ZINC001079879365 777013434 /nfs/dbraw/zinc/01/34/34/777013434.db2.gz OSTZOMVNXVFMGM-MCIONIFRSA-N 1 1 333.461 0.572 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001079911987 777060906 /nfs/dbraw/zinc/06/09/06/777060906.db2.gz YUTSZQLKLSQAJQ-RTXFEEFZSA-N 1 1 347.419 0.261 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2conc2COC)[C@@H](n2ccnn2)C1 ZINC001070074763 790516010 /nfs/dbraw/zinc/51/60/10/790516010.db2.gz JXYJSTYMJMRSRN-HIFRSBDPSA-N 1 1 344.375 0.091 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2conc2COC)[C@@H](n2ccnn2)C1 ZINC001070074763 790516021 /nfs/dbraw/zinc/51/60/21/790516021.db2.gz JXYJSTYMJMRSRN-HIFRSBDPSA-N 1 1 344.375 0.091 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079980763 777186593 /nfs/dbraw/zinc/18/65/93/777186593.db2.gz AKPKHBVWTLOFJI-UHFFFAOYSA-N 1 1 325.453 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCCCOC)C1 ZINC001080008784 777220292 /nfs/dbraw/zinc/22/02/92/777220292.db2.gz DBTZNUWBYDRLRA-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCCCOC)C1 ZINC001080008784 777220297 /nfs/dbraw/zinc/22/02/97/777220297.db2.gz DBTZNUWBYDRLRA-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OCC(N)=O)C1 ZINC001080085835 777362385 /nfs/dbraw/zinc/36/23/85/777362385.db2.gz IOUZAYMDWNENEG-UKRRQHHQSA-N 1 1 329.400 0.624 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080142732 777458223 /nfs/dbraw/zinc/45/82/23/777458223.db2.gz GYBWBHKNWROCSP-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCOCC(=O)N1CC(N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001080189498 777522583 /nfs/dbraw/zinc/52/25/83/777522583.db2.gz WYIWXQYIZPHPGI-UHFFFAOYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001080210360 777562617 /nfs/dbraw/zinc/56/26/17/777562617.db2.gz FTMWVLQLGJKBCI-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001080210360 777562620 /nfs/dbraw/zinc/56/26/20/777562620.db2.gz FTMWVLQLGJKBCI-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](n2ccnn2)C1 ZINC001070084521 790548576 /nfs/dbraw/zinc/54/85/76/790548576.db2.gz HKWZNVVLHPPXKN-KGLIPLIRSA-N 1 1 340.391 0.485 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080278871 777640245 /nfs/dbraw/zinc/64/02/45/777640245.db2.gz AWGFQXVEQUKOMY-QMTHXVAHSA-N 1 1 343.366 0.471 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080278871 777640250 /nfs/dbraw/zinc/64/02/50/777640250.db2.gz AWGFQXVEQUKOMY-QMTHXVAHSA-N 1 1 343.366 0.471 20 30 ECEDMO Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)ccc1C#N ZINC001043103759 777732868 /nfs/dbraw/zinc/73/28/68/777732868.db2.gz AATUUYPZAVOEJZ-WQVCFCJDSA-N 1 1 343.431 0.851 20 30 ECEDMO Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)ccc1C#N ZINC001043103759 777732877 /nfs/dbraw/zinc/73/28/77/777732877.db2.gz AATUUYPZAVOEJZ-WQVCFCJDSA-N 1 1 343.431 0.851 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001080437438 777856928 /nfs/dbraw/zinc/85/69/28/777856928.db2.gz NKUMGSYTTDNFNW-LVQVYYBASA-N 1 1 333.432 0.226 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC001070092002 790573501 /nfs/dbraw/zinc/57/35/01/790573501.db2.gz LOIRIXOZWDRIFC-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001043187327 777911385 /nfs/dbraw/zinc/91/13/85/777911385.db2.gz AHGWYMQXNKTIIU-HNNXBMFYSA-N 1 1 349.475 0.786 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043219500 777986415 /nfs/dbraw/zinc/98/64/15/777986415.db2.gz MPAAMUMTKWLASX-RBSFLKMASA-N 1 1 342.447 0.903 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001080555868 778014870 /nfs/dbraw/zinc/01/48/70/778014870.db2.gz QJJJSXJTILNCOY-FVQBIDKESA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001080555868 778014881 /nfs/dbraw/zinc/01/48/81/778014881.db2.gz QJJJSXJTILNCOY-FVQBIDKESA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080560908 778042460 /nfs/dbraw/zinc/04/24/60/778042460.db2.gz GJOVZMNEPQRGCH-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043264143 778065848 /nfs/dbraw/zinc/06/58/48/778065848.db2.gz OEXQJETZXBUJRS-RBSFLKMASA-N 1 1 337.464 0.618 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001043270919 778077904 /nfs/dbraw/zinc/07/79/04/778077904.db2.gz AGXVUKATTOBKQM-UONOGXRCSA-N 1 1 337.464 0.618 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](n2ccnn2)C1 ZINC001070096142 790591436 /nfs/dbraw/zinc/59/14/36/790591436.db2.gz KCEYMDKIAGUEGP-CVEARBPZSA-N 1 1 343.435 0.791 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C#CC(C)C)O2 ZINC001068569267 790594867 /nfs/dbraw/zinc/59/48/67/790594867.db2.gz RTOVKUMWYVYYMN-INIZCTEOSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[C@H](CNC(=O)C#CC2CC2)O3)C1 ZINC001068571243 790600928 /nfs/dbraw/zinc/60/09/28/790600928.db2.gz KEOKWIAHWZWZLH-JKSUJKDBSA-N 1 1 345.443 0.228 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102604 790613501 /nfs/dbraw/zinc/61/35/01/790613501.db2.gz SIVDYDMXDYNNDL-PMPSAXMXSA-N 1 1 332.452 0.680 20 30 ECEDMO N#Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@@H]1n1ccnn1 ZINC001070112781 790646821 /nfs/dbraw/zinc/64/68/21/790646821.db2.gz QPHNUZAYPRARHR-KGLIPLIRSA-N 1 1 346.341 0.957 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043774145 778851462 /nfs/dbraw/zinc/85/14/62/778851462.db2.gz UBJRQEVJEQEZDE-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCCC1 ZINC001043825062 778919468 /nfs/dbraw/zinc/91/94/68/778919468.db2.gz WUFPLIHFGLABNF-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)C[C@@H]21 ZINC001042292033 780004309 /nfs/dbraw/zinc/00/43/09/780004309.db2.gz LJCLUQSCLWTOHP-ZBFHGGJFSA-N 1 1 336.399 0.832 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@H]21 ZINC001042293643 780009176 /nfs/dbraw/zinc/00/91/76/780009176.db2.gz HQXKXVGHFDLPRV-HUUCEWRRSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@H]21 ZINC001042293643 780009183 /nfs/dbraw/zinc/00/91/83/780009183.db2.gz HQXKXVGHFDLPRV-HUUCEWRRSA-N 1 1 338.473 0.900 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@H]21 ZINC001042313439 780055395 /nfs/dbraw/zinc/05/53/95/780055395.db2.gz UFXWIACHZBOIDH-UKRRQHHQSA-N 1 1 339.399 0.995 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 ZINC001042333592 780089118 /nfs/dbraw/zinc/08/91/18/780089118.db2.gz PYFABUFKCWNZOZ-GJZGRUSLSA-N 1 1 333.436 0.389 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]21 ZINC001042354445 780126583 /nfs/dbraw/zinc/12/65/83/780126583.db2.gz SHDNWMLUKOHRNJ-JSGCOSHPSA-N 1 1 330.388 0.046 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]21 ZINC001042374202 780163049 /nfs/dbraw/zinc/16/30/49/780163049.db2.gz JWCUDCBJJCOVCM-CZUORRHYSA-N 1 1 326.400 0.740 20 30 ECEDMO Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159413 790785223 /nfs/dbraw/zinc/78/52/23/790785223.db2.gz BSQCZRYCCXNQOW-IMJJTQAJSA-N 1 1 339.403 0.683 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070160940 790790406 /nfs/dbraw/zinc/79/04/06/790790406.db2.gz NGZMSOOKTHNVKI-RTXFEEFZSA-N 1 1 331.405 0.436 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)COC)CC1 ZINC001078772784 780471068 /nfs/dbraw/zinc/47/10/68/780471068.db2.gz VHHAPYNFWFENGI-HOTGVXAUSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)COC)CC1 ZINC001078772784 780471072 /nfs/dbraw/zinc/47/10/72/780471072.db2.gz VHHAPYNFWFENGI-HOTGVXAUSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@H]1C ZINC001042621620 780542185 /nfs/dbraw/zinc/54/21/85/780542185.db2.gz XZQJDCUZALUPTO-BMFZPTHFSA-N 1 1 327.432 0.824 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@H]1C ZINC001042621620 780542193 /nfs/dbraw/zinc/54/21/93/780542193.db2.gz XZQJDCUZALUPTO-BMFZPTHFSA-N 1 1 327.432 0.824 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001042664037 780607543 /nfs/dbraw/zinc/60/75/43/780607543.db2.gz LUPHGARQKAKXMQ-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001042801231 780844835 /nfs/dbraw/zinc/84/48/35/780844835.db2.gz HPXXFIXXYXHWRU-INIZCTEOSA-N 1 1 349.475 0.742 20 30 ECEDMO C=CC[NH+]1CCC2(CN(C(=O)Cc3ncn[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079269368 780945190 /nfs/dbraw/zinc/94/51/90/780945190.db2.gz UUVOVUXSHXZKHK-UONOGXRCSA-N 1 1 331.420 0.473 20 30 ECEDMO CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042860621 780955156 /nfs/dbraw/zinc/95/51/56/780955156.db2.gz FLVRGCIHGNKYBP-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3CCOCC3)C2)C1=O ZINC001079346578 781012137 /nfs/dbraw/zinc/01/21/37/781012137.db2.gz IKOCVOLQINYKAS-FVQBIDKESA-N 1 1 335.448 0.636 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 ZINC001042962970 781105839 /nfs/dbraw/zinc/10/58/39/781105839.db2.gz CONQGDCJQHKNCP-INIZCTEOSA-N 1 1 347.459 0.352 20 30 ECEDMO O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001042963718 781107032 /nfs/dbraw/zinc/10/70/32/781107032.db2.gz SWOIZQLZQTXBEQ-HZPDHXFCSA-N 1 1 345.443 0.106 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042966252 781112028 /nfs/dbraw/zinc/11/20/28/781112028.db2.gz UMMOFHITBWQBTG-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](C)COC)C1 ZINC001079488694 781175828 /nfs/dbraw/zinc/17/58/28/781175828.db2.gz GJEKQFUMMIAKRZ-HOCLYGCPSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](C)COC)C1 ZINC001079488694 781175833 /nfs/dbraw/zinc/17/58/33/781175833.db2.gz GJEKQFUMMIAKRZ-HOCLYGCPSA-N 1 1 335.448 0.426 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001079601272 781307465 /nfs/dbraw/zinc/30/74/65/781307465.db2.gz QSRJVFVQQNVKCL-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001079601272 781307471 /nfs/dbraw/zinc/30/74/71/781307471.db2.gz QSRJVFVQQNVKCL-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3C)C[C@H]2O)c1 ZINC001077647655 781419784 /nfs/dbraw/zinc/41/97/84/781419784.db2.gz FOJZMERLGUTJHL-QZTJIDSGSA-N 1 1 336.395 0.741 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@H]2O)c1 ZINC001077647655 781419790 /nfs/dbraw/zinc/41/97/90/781419790.db2.gz FOJZMERLGUTJHL-QZTJIDSGSA-N 1 1 336.395 0.741 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@H]2O)c1 ZINC001077648835 781422920 /nfs/dbraw/zinc/42/29/20/781422920.db2.gz URPXKRKOLPSOTF-XAWIXRBMSA-N 1 1 343.427 0.653 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)c1 ZINC001077649746 781423570 /nfs/dbraw/zinc/42/35/70/781423570.db2.gz CFFXWLCRJFZPPA-BRWVUGGUSA-N 1 1 329.400 0.407 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC001041398308 781432298 /nfs/dbraw/zinc/43/22/98/781432298.db2.gz HXCLMRXQRAVDDQ-GOSISDBHSA-N 1 1 328.416 0.948 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C2)C1 ZINC001041407487 781448249 /nfs/dbraw/zinc/44/82/49/781448249.db2.gz HVBYQYXQMSGDQO-INIZCTEOSA-N 1 1 336.457 0.369 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001041417301 781463973 /nfs/dbraw/zinc/46/39/73/781463973.db2.gz FFUDINXBWQZVFU-LJQANCHMSA-N 1 1 348.491 0.651 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041480681 781600342 /nfs/dbraw/zinc/60/03/42/781600342.db2.gz CHYXTYYUUVFTDL-RVKKMQEKSA-N 1 1 333.432 0.357 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C2)C1 ZINC001041513447 781675093 /nfs/dbraw/zinc/67/50/93/781675093.db2.gz WUGAOPDCUGLNOE-LZLYRXPVSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](CC)OC)C[C@H]2O)nn1 ZINC001077812860 781740655 /nfs/dbraw/zinc/74/06/55/781740655.db2.gz RVHLYZJSGLUJOR-GZBFAFLISA-N 1 1 337.424 0.054 20 30 ECEDMO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077849709 781813955 /nfs/dbraw/zinc/81/39/55/781813955.db2.gz KIIDCXGBUYLIIB-HZPDHXFCSA-N 1 1 339.399 0.873 20 30 ECEDMO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077849709 781813963 /nfs/dbraw/zinc/81/39/63/781813963.db2.gz KIIDCXGBUYLIIB-HZPDHXFCSA-N 1 1 339.399 0.873 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C(C)(C)CC)C1 ZINC001040733637 783346212 /nfs/dbraw/zinc/34/62/12/783346212.db2.gz FYJFTAWVPHTDEK-KXBFYZLASA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C(C)(C)CC)C1 ZINC001040733637 783346220 /nfs/dbraw/zinc/34/62/20/783346220.db2.gz FYJFTAWVPHTDEK-KXBFYZLASA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040046687 783434370 /nfs/dbraw/zinc/43/43/70/783434370.db2.gz DCBQIUUDEVTAKB-IIDMSEBBSA-N 1 1 337.464 0.763 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(N(C)c2ccc(C#N)nn2)CC1 ZINC001068707463 790944398 /nfs/dbraw/zinc/94/43/98/790944398.db2.gz PEGJPDSMAQVZPQ-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO C=C1CCC(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040807675 783476745 /nfs/dbraw/zinc/47/67/45/783476745.db2.gz UZSPHEVKPYHEMW-VQIMIIECSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001040101039 783546208 /nfs/dbraw/zinc/54/62/08/783546208.db2.gz RTTRZWWWMYESSO-QGZVFWFLSA-N 1 1 325.453 0.763 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070172986 783593221 /nfs/dbraw/zinc/59/32/21/783593221.db2.gz XCKPBFRYADKJNF-MRXNPFEDSA-N 1 1 349.475 0.769 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070206266 783655175 /nfs/dbraw/zinc/65/51/75/783655175.db2.gz QJQWTLSJTYJCJS-ILXRZTDVSA-N 1 1 331.424 0.018 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@@H]1n1ccnn1 ZINC001070213049 783668920 /nfs/dbraw/zinc/66/89/20/783668920.db2.gz GGCAYPBCSRYXOW-OLZOCXBDSA-N 1 1 349.826 0.728 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCOCC1 ZINC001070232019 783705999 /nfs/dbraw/zinc/70/59/99/783705999.db2.gz AINQURFGFNLGDV-UONOGXRCSA-N 1 1 336.436 0.412 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070250760 783741154 /nfs/dbraw/zinc/74/11/54/783741154.db2.gz XMXYGKWDTUVKBA-UHFFFAOYSA-N 1 1 335.448 0.523 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@@H]1n1ccnn1 ZINC001070289701 783795706 /nfs/dbraw/zinc/79/57/06/783795706.db2.gz RAOWFKLVNFZSJR-KGLIPLIRSA-N 1 1 349.826 0.902 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1 ZINC001070299867 783804648 /nfs/dbraw/zinc/80/46/48/783804648.db2.gz JMVQFVBIKCKROD-NEPJUHHUSA-N 1 1 333.783 0.476 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070333823 783841994 /nfs/dbraw/zinc/84/19/94/783841994.db2.gz XYLLWYYOHIYNIB-CVEARBPZSA-N 1 1 330.436 0.129 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ccnn2C)C1 ZINC001070384774 783926474 /nfs/dbraw/zinc/92/64/74/783926474.db2.gz IMLGFVKZRUFUJD-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ccnn2C)C1 ZINC001070384774 783926480 /nfs/dbraw/zinc/92/64/80/783926480.db2.gz IMLGFVKZRUFUJD-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038177073 783953758 /nfs/dbraw/zinc/95/37/58/783953758.db2.gz HTSMQHXYTVLWCV-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038177073 783953764 /nfs/dbraw/zinc/95/37/64/783953764.db2.gz HTSMQHXYTVLWCV-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001070394677 783954230 /nfs/dbraw/zinc/95/42/30/783954230.db2.gz OOPYVTRJFCKLLL-LLVKDONJSA-N 1 1 326.360 0.258 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COCCO2)C1 ZINC001070398285 783964614 /nfs/dbraw/zinc/96/46/14/783964614.db2.gz QCJSZIXYYZMCAY-UKRRQHHQSA-N 1 1 332.404 0.254 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001070403311 783976899 /nfs/dbraw/zinc/97/68/99/783976899.db2.gz PPLVNIMRWQLHDO-UONOGXRCSA-N 1 1 343.431 0.365 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001070407392 783991074 /nfs/dbraw/zinc/99/10/74/783991074.db2.gz FFYZKKKTKOZAGX-OCCSQVGLSA-N 1 1 347.419 0.890 20 30 ECEDMO Cn1nncc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001038207376 783996211 /nfs/dbraw/zinc/99/62/11/783996211.db2.gz IDUPNPICCUTZEI-AWEZNQCLSA-N 1 1 340.387 0.722 20 30 ECEDMO Cn1nncc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001038207376 783996217 /nfs/dbraw/zinc/99/62/17/783996217.db2.gz IDUPNPICCUTZEI-AWEZNQCLSA-N 1 1 340.387 0.722 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001070412996 784007441 /nfs/dbraw/zinc/00/74/41/784007441.db2.gz PZQPWBNBCPESQH-JSGCOSHPSA-N 1 1 331.420 0.527 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001070413207 784008529 /nfs/dbraw/zinc/00/85/29/784008529.db2.gz WQGSJDMJMDBMFT-IIAWOOMASA-N 1 1 345.447 0.168 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001070414515 784014249 /nfs/dbraw/zinc/01/42/49/784014249.db2.gz OLTKWJFQBOVQPH-KGLIPLIRSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ncc(OC)cn2)C1 ZINC001070416833 784020350 /nfs/dbraw/zinc/02/03/50/784020350.db2.gz OZOWADDZWKNEFP-LBPRGKRZSA-N 1 1 340.387 0.561 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001070421512 784031650 /nfs/dbraw/zinc/03/16/50/784031650.db2.gz NRORLCVAQWDYDT-TZMCWYRMSA-N 1 1 331.420 0.480 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001070422508 784034259 /nfs/dbraw/zinc/03/42/59/784034259.db2.gz AKIRSEHCNSJDPJ-GFCCVEGCSA-N 1 1 340.387 0.566 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001070424286 784039707 /nfs/dbraw/zinc/03/97/07/784039707.db2.gz GTHQPAMIHDJYKL-NSHDSACASA-N 1 1 340.387 0.189 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2coc(COC)n2)C1 ZINC001070430706 784050414 /nfs/dbraw/zinc/05/04/14/784050414.db2.gz AHRBCRZWNADSTE-LBPRGKRZSA-N 1 1 343.387 0.897 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCO)C2)cn1 ZINC001070432922 784057614 /nfs/dbraw/zinc/05/76/14/784057614.db2.gz VEIJJCLJSKQUJV-AWEZNQCLSA-N 1 1 339.399 0.498 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CN(C(=O)c1cocn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442455 784085515 /nfs/dbraw/zinc/08/55/15/784085515.db2.gz IPQUXBVTOJSONK-CYBMUJFWSA-N 1 1 340.387 0.666 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001070905059 784086152 /nfs/dbraw/zinc/08/61/52/784086152.db2.gz MQGKCEQGORTOMQ-OAHLLOKOSA-N 1 1 334.420 0.891 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H](OC)C1CC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445925 784098119 /nfs/dbraw/zinc/09/81/19/784098119.db2.gz NQEKXIFBRHICSQ-HUUCEWRRSA-N 1 1 345.447 0.952 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H](c2nnc(C)[nH]2)C2(C[NH+](CCO)C2)C1 ZINC001070447466 784102760 /nfs/dbraw/zinc/10/27/60/784102760.db2.gz LIAXWTJEMIWXER-PBHICJAKSA-N 1 1 347.463 0.936 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1c[nH]nc1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448301 784104049 /nfs/dbraw/zinc/10/40/49/784104049.db2.gz WSGPIPKWXUAUDH-CQSZACIVSA-N 1 1 341.419 0.872 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H](c3nnc(C)[nH]3)C3(C[NH+](CCO)C3)C2)C1 ZINC001070449292 784106636 /nfs/dbraw/zinc/10/66/36/784106636.db2.gz ONSJBZWGBOVYBF-CQSZACIVSA-N 1 1 345.447 0.690 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1nc(C)c[nH]1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451034 784111565 /nfs/dbraw/zinc/11/15/65/784111565.db2.gz SLWPEYCQAKIXJX-CYBMUJFWSA-N 1 1 341.419 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)COCC2CC2)C1 ZINC001070921993 784119886 /nfs/dbraw/zinc/11/98/86/784119886.db2.gz WGVTUUQNOYRGDT-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)COCC2CC2)C1 ZINC001070921993 784119889 /nfs/dbraw/zinc/11/98/89/784119889.db2.gz WGVTUUQNOYRGDT-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2cc(C)cn2)CC1 ZINC001070943318 784180287 /nfs/dbraw/zinc/18/02/87/784180287.db2.gz KJDCJQXXHXJIIA-UHFFFAOYSA-N 1 1 333.436 0.418 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnn2C)CC1 ZINC001070947312 784193921 /nfs/dbraw/zinc/19/39/21/784193921.db2.gz RDIZXRUQXYRRPJ-UHFFFAOYSA-N 1 1 333.436 0.650 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC001070947311 784194105 /nfs/dbraw/zinc/19/41/05/784194105.db2.gz QWUVNXWJUJFKAT-LSDHHAIUSA-N 1 1 336.436 0.366 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001070498446 784194752 /nfs/dbraw/zinc/19/47/52/784194752.db2.gz IBCVZLVOYKVWTH-JQHSSLGASA-N 1 1 343.475 0.812 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001070498446 784194760 /nfs/dbraw/zinc/19/47/60/784194760.db2.gz IBCVZLVOYKVWTH-JQHSSLGASA-N 1 1 343.475 0.812 20 30 ECEDMO C[C@@H](F)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951478 784205911 /nfs/dbraw/zinc/20/59/11/784205911.db2.gz OGWKQFFZVZUJKO-CYBMUJFWSA-N 1 1 349.410 0.899 20 30 ECEDMO C[C@@H](F)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951478 784205915 /nfs/dbraw/zinc/20/59/15/784205915.db2.gz OGWKQFFZVZUJKO-CYBMUJFWSA-N 1 1 349.410 0.899 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)no2)CC1 ZINC001070955635 784218600 /nfs/dbraw/zinc/21/86/00/784218600.db2.gz WKQXIHAMFSDFPX-UHFFFAOYSA-N 1 1 336.392 0.523 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)no2)CC1 ZINC001070955635 784218605 /nfs/dbraw/zinc/21/86/05/784218605.db2.gz WKQXIHAMFSDFPX-UHFFFAOYSA-N 1 1 336.392 0.523 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(=O)NCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC001070961966 784237773 /nfs/dbraw/zinc/23/77/73/784237773.db2.gz AIIDMYLAUFOUOY-KRWDZBQOSA-N 1 1 347.459 0.619 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(=O)NCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC001070962518 784240324 /nfs/dbraw/zinc/24/03/24/784240324.db2.gz UALDDAYCXPSTOR-QGZVFWFLSA-N 1 1 347.459 0.619 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(=O)NCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC001070962518 784240331 /nfs/dbraw/zinc/24/03/31/784240331.db2.gz UALDDAYCXPSTOR-QGZVFWFLSA-N 1 1 347.459 0.619 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001070963280 784243826 /nfs/dbraw/zinc/24/38/26/784243826.db2.gz KEWAUFJBFRCTPV-ZIAGYGMSSA-N 1 1 338.408 0.268 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001070963280 784243834 /nfs/dbraw/zinc/24/38/34/784243834.db2.gz KEWAUFJBFRCTPV-ZIAGYGMSSA-N 1 1 338.408 0.268 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001070963280 784243839 /nfs/dbraw/zinc/24/38/39/784243839.db2.gz KEWAUFJBFRCTPV-ZIAGYGMSSA-N 1 1 338.408 0.268 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001070963295 784244218 /nfs/dbraw/zinc/24/42/18/784244218.db2.gz KMIGDTLYZJIQNC-IRXDYDNUSA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnc(C)o2)CC1 ZINC001070969224 784263343 /nfs/dbraw/zinc/26/33/43/784263343.db2.gz GTPQMDFNEDBFJJ-UHFFFAOYSA-N 1 1 334.420 0.752 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2ccc(C)n2)CC1 ZINC001070999824 784368368 /nfs/dbraw/zinc/36/83/68/784368368.db2.gz BRRDDYLWKNSEKX-UHFFFAOYSA-N 1 1 333.436 0.418 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccn(C)c2CC)CC1 ZINC001070999962 784369677 /nfs/dbraw/zinc/36/96/77/784369677.db2.gz HOXJFBROJRHTCG-UHFFFAOYSA-N 1 1 344.459 0.875 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccn(C)c2CC)CC1 ZINC001070999962 784369686 /nfs/dbraw/zinc/36/96/86/784369686.db2.gz HOXJFBROJRHTCG-UHFFFAOYSA-N 1 1 344.459 0.875 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(=O)NCC[N@@H+](C(C)C)CC2)nn1 ZINC001071007322 784391761 /nfs/dbraw/zinc/39/17/61/784391761.db2.gz KCZNEWFJUIRZBI-UHFFFAOYSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(=O)NCC[N@H+](C(C)C)CC2)nn1 ZINC001071007322 784391764 /nfs/dbraw/zinc/39/17/64/784391764.db2.gz KCZNEWFJUIRZBI-UHFFFAOYSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc[nH]n2)n1 ZINC001070599089 784412095 /nfs/dbraw/zinc/41/20/95/784412095.db2.gz GXRVBRHSONOIEG-RYUDHWBXSA-N 1 1 331.380 0.529 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@]2(C)CCOC2)n1 ZINC001070599337 784413427 /nfs/dbraw/zinc/41/34/27/784413427.db2.gz VKCOSXGCOJEIRI-MPGHIAIKSA-N 1 1 346.431 0.971 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ncn(C)n2)n1 ZINC001070602063 784419244 /nfs/dbraw/zinc/41/92/44/784419244.db2.gz HQIZAZAGWIYMFS-QWHCGFSZSA-N 1 1 345.407 0.539 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn(C)nn2)n1 ZINC001070601991 784419331 /nfs/dbraw/zinc/41/93/31/784419331.db2.gz FROLFYVXMQOBKH-QWHCGFSZSA-N 1 1 345.407 0.539 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071015591 784421439 /nfs/dbraw/zinc/42/14/39/784421439.db2.gz KZTQWSVVWDZQFD-MRXNPFEDSA-N 1 1 334.464 0.002 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ncc[nH]2)n1 ZINC001070602720 784422029 /nfs/dbraw/zinc/42/20/29/784422029.db2.gz ZOXOSXZYSFAZPX-QWHCGFSZSA-N 1 1 328.376 0.581 20 30 ECEDMO C=CCC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]n2)n1 ZINC001070604597 784423888 /nfs/dbraw/zinc/42/38/88/784423888.db2.gz OTNLQZQXPFHBST-QWHCGFSZSA-N 1 1 345.407 0.919 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ccncn2)n1 ZINC001070605140 784425124 /nfs/dbraw/zinc/42/51/24/784425124.db2.gz CYICPEXTNSGEEF-UONOGXRCSA-N 1 1 340.387 0.648 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnn(C)n2)CC1 ZINC001071044017 784474855 /nfs/dbraw/zinc/47/48/55/784474855.db2.gz CBJCWRHLWJLNFW-WQVCFCJDSA-N 1 1 346.435 0.460 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001071053618 784487469 /nfs/dbraw/zinc/48/74/69/784487469.db2.gz COXPOSVXXJOWOD-PBHICJAKSA-N 1 1 325.453 0.763 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1 ZINC001070654534 784504296 /nfs/dbraw/zinc/50/42/96/784504296.db2.gz VRSIMRUHZILSNA-OAGGEKHMSA-N 1 1 344.463 0.702 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 ZINC001071066483 784507550 /nfs/dbraw/zinc/50/75/50/784507550.db2.gz NXBCTRVJQZZJIN-IKGGRYGDSA-N 1 1 334.464 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)[nH]n1)C[C@@H](C)O2 ZINC001071129495 784570513 /nfs/dbraw/zinc/57/05/13/784570513.db2.gz MBRVNAMEIHHLQJ-CXAGYDPISA-N 1 1 330.388 0.511 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)C[C@H](C)O2 ZINC001071136977 784583240 /nfs/dbraw/zinc/58/32/40/784583240.db2.gz SMRGGAVZBJJXKC-DOTOQJQBSA-N 1 1 331.420 0.383 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc(C)cn1)C[C@@H](C)O2 ZINC001071138572 784584548 /nfs/dbraw/zinc/58/45/48/784584548.db2.gz HDGBGZRBFDRJQA-AEFFLSMTSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nccnc1N)C[C@H](C)O2 ZINC001071147922 784602421 /nfs/dbraw/zinc/60/24/21/784602421.db2.gz ZIHOQSBKXHNXQO-GUYCJALGSA-N 1 1 331.420 0.940 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001071150672 784610375 /nfs/dbraw/zinc/61/03/75/784610375.db2.gz NFUCSHPGLPTWHZ-YESZJQIVSA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071154748 784617529 /nfs/dbraw/zinc/61/75/29/784617529.db2.gz PFZXTNYMJXVQSG-CXAGYDPISA-N 1 1 332.404 0.574 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)C[C@H](C)O2 ZINC001071159893 784627132 /nfs/dbraw/zinc/62/71/32/784627132.db2.gz TTXXECGOTIAJTF-DOTOQJQBSA-N 1 1 333.436 0.936 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@@H](C)O2 ZINC001071159594 784627652 /nfs/dbraw/zinc/62/76/52/784627652.db2.gz OKJGNNMFSRASQR-DYVFJYSZSA-N 1 1 335.404 0.860 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@H](C)O2 ZINC001071162581 784633914 /nfs/dbraw/zinc/63/39/14/784633914.db2.gz VSXUBCOPXZGIFQ-SUMWQHHRSA-N 1 1 333.436 0.884 20 30 ECEDMO CC#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001070735915 784635713 /nfs/dbraw/zinc/63/57/13/784635713.db2.gz FVBKZYXQLMRWOL-MELADBBJSA-N 1 1 348.426 0.481 20 30 ECEDMO CC#CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070735915 784635720 /nfs/dbraw/zinc/63/57/20/784635720.db2.gz FVBKZYXQLMRWOL-MELADBBJSA-N 1 1 348.426 0.481 20 30 ECEDMO CC#CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070735915 784635726 /nfs/dbraw/zinc/63/57/26/784635726.db2.gz FVBKZYXQLMRWOL-MELADBBJSA-N 1 1 348.426 0.481 20 30 ECEDMO CC#CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001070735915 784635730 /nfs/dbraw/zinc/63/57/30/784635730.db2.gz FVBKZYXQLMRWOL-MELADBBJSA-N 1 1 348.426 0.481 20 30 ECEDMO CC#CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070735915 784635735 /nfs/dbraw/zinc/63/57/35/784635735.db2.gz FVBKZYXQLMRWOL-MELADBBJSA-N 1 1 348.426 0.481 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C3CCC3)nn1)C[C@@H](C)O2 ZINC001071168769 784646360 /nfs/dbraw/zinc/64/63/60/784646360.db2.gz HIFWOKHNBXJCAY-RDTXWAMCSA-N 1 1 343.431 0.942 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C3CCC3)nn1)C[C@@H](C)O2 ZINC001071168769 784646361 /nfs/dbraw/zinc/64/63/61/784646361.db2.gz HIFWOKHNBXJCAY-RDTXWAMCSA-N 1 1 343.431 0.942 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccn(CC)n1)C[C@H](C)O2 ZINC001071172103 784655423 /nfs/dbraw/zinc/65/54/23/784655423.db2.gz XJCCSDVEEIINKB-YJBOKZPZSA-N 1 1 330.432 0.771 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COc1cc(C)on1)C[C@H](C)O2 ZINC001071175589 784663888 /nfs/dbraw/zinc/66/38/88/784663888.db2.gz HEYQLGAPIAOBPG-YOEHRIQHSA-N 1 1 333.388 0.687 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(C)nc1C)C[C@H](C)O2 ZINC001071178725 784673255 /nfs/dbraw/zinc/67/32/55/784673255.db2.gz VEUQUXAHXOEGSU-KXBFYZLASA-N 1 1 344.459 0.986 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnc[nH]c1=O)C[C@@H](C)O2 ZINC001071180854 784679465 /nfs/dbraw/zinc/67/94/65/784679465.db2.gz SGITZLAXTPNKTC-DYVFJYSZSA-N 1 1 330.388 0.511 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1CC)C[C@H](C)O2 ZINC001071183556 784684061 /nfs/dbraw/zinc/68/40/61/784684061.db2.gz PZSQWOAKFSTPDI-KBXCAEBGSA-N 1 1 330.432 0.921 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@@H](C)O2 ZINC001071190088 784697139 /nfs/dbraw/zinc/69/71/39/784697139.db2.gz UCNXPEQCXJNMFQ-DYVFJYSZSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@@H](C)O2 ZINC001071190352 784697798 /nfs/dbraw/zinc/69/77/98/784697798.db2.gz YCLIAQNFYIGUHE-KDOFPFPSSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071193163 784705883 /nfs/dbraw/zinc/70/58/83/784705883.db2.gz XSZYRMGLKTVHSA-FZKQIMNGSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@H](C)O2 ZINC001071209461 784741192 /nfs/dbraw/zinc/74/11/92/784741192.db2.gz KNTLIPCCXICEBV-MAUKXSAKSA-N 1 1 345.447 0.463 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CC(=O)NC)C3)C2)C1 ZINC001071212429 784748666 /nfs/dbraw/zinc/74/86/66/784748666.db2.gz XJZBWZNDKVMYEV-KSSFIOAISA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H](C)O[C@]3(CC[N@H+](CC(=O)NC)C3)C2)C1 ZINC001071212429 784748668 /nfs/dbraw/zinc/74/86/68/784748668.db2.gz XJZBWZNDKVMYEV-KSSFIOAISA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C[C@H](C)O2 ZINC001071218163 784761161 /nfs/dbraw/zinc/76/11/61/784761161.db2.gz JYLIEPHYTSVERE-SCLBCKFNSA-N 1 1 349.431 0.307 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@H](C)O2 ZINC001071225792 784782455 /nfs/dbraw/zinc/78/24/55/784782455.db2.gz PTFNGVRJAOSSJV-SJCJKPOMSA-N 1 1 330.388 0.052 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cncn1C)C[C@@H](C)O2 ZINC001071235473 784803397 /nfs/dbraw/zinc/80/33/97/784803397.db2.gz FECXOJLNRQAFDS-CRAIPNDOSA-N 1 1 330.432 0.678 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@@H](C)O2 ZINC001071238076 784807093 /nfs/dbraw/zinc/80/70/93/784807093.db2.gz IOZYNUSTTJQPLY-CXAGYDPISA-N 1 1 332.404 0.272 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)COC)C1 ZINC001071240003 784812106 /nfs/dbraw/zinc/81/21/06/784812106.db2.gz WCFDWXDJKSDWJQ-BBWFWOEESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)COC)C1 ZINC001071240003 784812116 /nfs/dbraw/zinc/81/21/16/784812116.db2.gz WCFDWXDJKSDWJQ-BBWFWOEESA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccnc1C)C[C@H](C)O2 ZINC001071240712 784813319 /nfs/dbraw/zinc/81/33/19/784813319.db2.gz JTJWUQKVFIGMOZ-YJBOKZPZSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@@H](C)O2 ZINC001071243535 784821037 /nfs/dbraw/zinc/82/10/37/784821037.db2.gz HSRLCVCAVXRSSM-KDOFPFPSSA-N 1 1 348.447 0.605 20 30 ECEDMO C#CCN1CC[C@@]2(C1)CN(C(=O)C1CC[NH+](CC#C)CC1)C[C@@H](C)O2 ZINC001071244285 784822124 /nfs/dbraw/zinc/82/21/24/784822124.db2.gz SKSKRVRXMJBJAQ-YLJYHZDGSA-N 1 1 343.471 0.657 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@@H](C)O2 ZINC001071244463 784822148 /nfs/dbraw/zinc/82/21/48/784822148.db2.gz VNLKNNKODCSIQX-DYVFJYSZSA-N 1 1 334.420 0.215 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)C[C@@H](C)O2 ZINC001071246582 784828087 /nfs/dbraw/zinc/82/80/87/784828087.db2.gz XTQZMVOCGWDALP-ACJLOTCBSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)C[C@@H](C)O2 ZINC001071246582 784828103 /nfs/dbraw/zinc/82/81/03/784828103.db2.gz XTQZMVOCGWDALP-ACJLOTCBSA-N 1 1 342.399 0.119 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)C(=O)C1 ZINC001071253058 784843486 /nfs/dbraw/zinc/84/34/86/784843486.db2.gz FYQKLEVZQDKJAH-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)C(=O)C1 ZINC001071253058 784843494 /nfs/dbraw/zinc/84/34/94/784843494.db2.gz FYQKLEVZQDKJAH-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cnsn3)C2)C(=O)C1 ZINC001071255276 784850751 /nfs/dbraw/zinc/85/07/51/784850751.db2.gz JTPDBWMVMDTZCK-ZDUSSCGKSA-N 1 1 349.460 0.863 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cnsn3)C2)C(=O)C1 ZINC001071255276 784850758 /nfs/dbraw/zinc/85/07/58/784850758.db2.gz JTPDBWMVMDTZCK-ZDUSSCGKSA-N 1 1 349.460 0.863 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277259 784922402 /nfs/dbraw/zinc/92/24/02/784922402.db2.gz OAQIVHCDCIJEFR-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001068757172 791079020 /nfs/dbraw/zinc/07/90/20/791079020.db2.gz OGRPZXPUFZPFEG-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CCN1CCNC1=O ZINC001071431078 785077202 /nfs/dbraw/zinc/07/72/02/785077202.db2.gz KHZKEJMGSQTRQW-TZMCWYRMSA-N 1 1 344.419 0.494 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071430575 785078051 /nfs/dbraw/zinc/07/80/51/785078051.db2.gz CJKRHTVWEPJUPI-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CC(=O)N1CCC1 ZINC001071430575 785078062 /nfs/dbraw/zinc/07/80/62/785078062.db2.gz CJKRHTVWEPJUPI-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C ZINC001071519404 785240186 /nfs/dbraw/zinc/24/01/86/785240186.db2.gz XGNCBFFQUUDZOS-OLZOCXBDSA-N 1 1 334.424 0.312 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)CC[C@H]1C ZINC001071530844 785252553 /nfs/dbraw/zinc/25/25/53/785252553.db2.gz BMBCZLWDWSXVQZ-KGLIPLIRSA-N 1 1 332.452 0.963 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@H]1C ZINC001071890582 785279211 /nfs/dbraw/zinc/27/92/11/785279211.db2.gz OHBYCMRVFNIBNW-ZIAGYGMSSA-N 1 1 334.424 0.334 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@H]1C ZINC001071622712 785408400 /nfs/dbraw/zinc/40/84/00/785408400.db2.gz MKMQNSPPAXPAOS-DGCLKSJQSA-N 1 1 339.417 0.533 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)N(C)C)C2)nc1 ZINC001071998464 785501800 /nfs/dbraw/zinc/50/18/00/785501800.db2.gz JGGBGSVBBMACFS-DZGCQCFKSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)N(C)C)C2)nc1 ZINC001071998464 785501802 /nfs/dbraw/zinc/50/18/02/785501802.db2.gz JGGBGSVBBMACFS-DZGCQCFKSA-N 1 1 328.416 0.734 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@H]1C ZINC001071685669 785520347 /nfs/dbraw/zinc/52/03/47/785520347.db2.gz GBQACNLMLLSYAU-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1C ZINC001072069622 785615283 /nfs/dbraw/zinc/61/52/83/785615283.db2.gz JYEAZIMZSAQEAX-CABCVRRESA-N 1 1 343.493 0.262 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CC[N@H+](C)CC)C2)nn1 ZINC001072124452 785704117 /nfs/dbraw/zinc/70/41/17/785704117.db2.gz ANZOXYNQHROOEL-KGLIPLIRSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)CC1 ZINC001072275953 785949001 /nfs/dbraw/zinc/94/90/01/785949001.db2.gz PUWOCYDKWSQANJ-DOTOQJQBSA-N 1 1 348.491 0.246 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001072400923 786138255 /nfs/dbraw/zinc/13/82/55/786138255.db2.gz HEWJHJAKTVDCPF-UKRRQHHQSA-N 1 1 332.404 0.195 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)cn1 ZINC001072467228 786224958 /nfs/dbraw/zinc/22/49/58/786224958.db2.gz FGASEEYQXMIDFL-PBHICJAKSA-N 1 1 342.443 0.980 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001072479189 786247391 /nfs/dbraw/zinc/24/73/91/786247391.db2.gz TXBKEMZFPBDSRM-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO C=C(Cl)CN1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073562470 786610826 /nfs/dbraw/zinc/61/08/26/786610826.db2.gz VTLLTJJRIPQERA-KGLIPLIRSA-N 1 1 331.844 0.277 20 30 ECEDMO C=C(Cl)CN1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073562470 786610833 /nfs/dbraw/zinc/61/08/33/786610833.db2.gz VTLLTJJRIPQERA-KGLIPLIRSA-N 1 1 331.844 0.277 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@H]21 ZINC001074294443 786615767 /nfs/dbraw/zinc/61/57/67/786615767.db2.gz NLBFHXJXQRTRFY-ZIAGYGMSSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@H]21 ZINC001074294443 786615776 /nfs/dbraw/zinc/61/57/76/786615776.db2.gz NLBFHXJXQRTRFY-ZIAGYGMSSA-N 1 1 342.403 0.844 20 30 ECEDMO C#CCN1CCO[C@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC001074297326 786623289 /nfs/dbraw/zinc/62/32/89/786623289.db2.gz MNOKKJPRVVTUHV-MSOLQXFVSA-N 1 1 342.443 0.697 20 30 ECEDMO C#CCCCC(=O)N1CCN(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001073566022 786623893 /nfs/dbraw/zinc/62/38/93/786623893.db2.gz PBYPQHOOKGCOPR-INIZCTEOSA-N 1 1 346.475 0.097 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 ZINC001074348980 786729584 /nfs/dbraw/zinc/72/95/84/786729584.db2.gz VIHKCRZGLQWBCA-HUUCEWRRSA-N 1 1 331.420 0.832 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3c2cccc3OC)C1 ZINC001073627172 786805053 /nfs/dbraw/zinc/80/50/53/786805053.db2.gz GHBGGZLIDWRKOL-CQSZACIVSA-N 1 1 342.399 0.797 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3c2cccc3OC)C1 ZINC001073627172 786805063 /nfs/dbraw/zinc/80/50/63/786805063.db2.gz GHBGGZLIDWRKOL-CQSZACIVSA-N 1 1 342.399 0.797 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001073629596 786810009 /nfs/dbraw/zinc/81/00/09/786810009.db2.gz CMGJOJWAFWBUIJ-HNNXBMFYSA-N 1 1 331.416 0.931 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCF)CCCO1 ZINC001073639484 786842765 /nfs/dbraw/zinc/84/27/65/786842765.db2.gz HEYGKGROZDUZRE-HOTGVXAUSA-N 1 1 325.428 0.651 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cncc3ncn(C)c32)C1 ZINC001073642939 786854631 /nfs/dbraw/zinc/85/46/31/786854631.db2.gz ZABPDPSXNWXIQI-CYBMUJFWSA-N 1 1 329.404 0.975 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]21 ZINC001074405212 786878457 /nfs/dbraw/zinc/87/84/57/786878457.db2.gz NYWBSYBXMPCJHF-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]21 ZINC001074405212 786878469 /nfs/dbraw/zinc/87/84/69/786878469.db2.gz NYWBSYBXMPCJHF-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001073664728 786913514 /nfs/dbraw/zinc/91/35/14/786913514.db2.gz NRPROBKEJFBOHT-HZPDHXFCSA-N 1 1 325.453 0.490 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 ZINC001073667767 786918499 /nfs/dbraw/zinc/91/84/99/786918499.db2.gz OADXHTMQNQRKNW-OAHLLOKOSA-N 1 1 334.420 0.580 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 ZINC001073667767 786918503 /nfs/dbraw/zinc/91/85/03/786918503.db2.gz OADXHTMQNQRKNW-OAHLLOKOSA-N 1 1 334.420 0.580 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCn3nccc32)C1 ZINC001073667859 786919619 /nfs/dbraw/zinc/91/96/19/786919619.db2.gz PYUIVIXHXOYLAZ-HOTGVXAUSA-N 1 1 330.432 0.991 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001073670509 786924916 /nfs/dbraw/zinc/92/49/16/786924916.db2.gz IFRRHSYQEQEUMG-DOTOQJQBSA-N 1 1 330.432 0.676 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001073670870 786927366 /nfs/dbraw/zinc/92/73/66/786927366.db2.gz QLDDBWHQPNAQKX-HOTGVXAUSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001073677448 786947771 /nfs/dbraw/zinc/94/77/71/786947771.db2.gz HILWENLBEHJLJV-CQSZACIVSA-N 1 1 333.388 0.553 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001073677448 786947778 /nfs/dbraw/zinc/94/77/78/786947778.db2.gz HILWENLBEHJLJV-CQSZACIVSA-N 1 1 333.388 0.553 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001073687259 786971199 /nfs/dbraw/zinc/97/11/99/786971199.db2.gz NPFKRVAQKTYXPF-CABCVRRESA-N 1 1 336.436 0.008 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001073703639 787008907 /nfs/dbraw/zinc/00/89/07/787008907.db2.gz UQDTXKAAPRAFKF-HZPDHXFCSA-N 1 1 345.447 0.461 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001073724656 787064113 /nfs/dbraw/zinc/06/41/13/787064113.db2.gz YWDKVXDYOXMFKG-HNNXBMFYSA-N 1 1 348.447 0.794 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 ZINC001073742635 787100187 /nfs/dbraw/zinc/10/01/87/787100187.db2.gz AIFAHTGYGSFPFH-ZDUSSCGKSA-N 1 1 335.404 0.704 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001073745713 787110056 /nfs/dbraw/zinc/11/00/56/787110056.db2.gz GJZDLVXRCUWNIR-GJZGRUSLSA-N 1 1 345.447 0.150 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001073748557 787121601 /nfs/dbraw/zinc/12/16/01/787121601.db2.gz GYQGQHLHMNBPHG-FUHWJXTLSA-N 1 1 344.459 0.984 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001073749441 787124640 /nfs/dbraw/zinc/12/46/40/787124640.db2.gz ZGRJKHLHMLCFIN-ZIAGYGMSSA-N 1 1 331.420 0.455 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001073749441 787124643 /nfs/dbraw/zinc/12/46/43/787124643.db2.gz ZGRJKHLHMLCFIN-ZIAGYGMSSA-N 1 1 331.420 0.455 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001073749441 787124647 /nfs/dbraw/zinc/12/46/47/787124647.db2.gz ZGRJKHLHMLCFIN-ZIAGYGMSSA-N 1 1 331.420 0.455 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001073769468 787167873 /nfs/dbraw/zinc/16/78/73/787167873.db2.gz HUUSNMOURUZTOK-HRCADAONSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001073772521 787174428 /nfs/dbraw/zinc/17/44/28/787174428.db2.gz QMSZJIHBUAAYAB-CQSZACIVSA-N 1 1 346.431 0.886 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2nccn3ccnc23)C1 ZINC001073774729 787180553 /nfs/dbraw/zinc/18/05/53/787180553.db2.gz JILBHRVMKNWWCJ-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3cccnn32)C1 ZINC001073801308 787228669 /nfs/dbraw/zinc/22/86/69/787228669.db2.gz GYIQJXHSRLADNC-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001073822006 787268808 /nfs/dbraw/zinc/26/88/08/787268808.db2.gz YBIMQEVFRGPUTI-OAHLLOKOSA-N 1 1 342.399 0.797 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001073822006 787268812 /nfs/dbraw/zinc/26/88/12/787268812.db2.gz YBIMQEVFRGPUTI-OAHLLOKOSA-N 1 1 342.399 0.797 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001073823807 787274056 /nfs/dbraw/zinc/27/40/56/787274056.db2.gz KMPXTGZNXCDEPA-ZDUSSCGKSA-N 1 1 330.392 0.521 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001073850742 787360524 /nfs/dbraw/zinc/36/05/24/787360524.db2.gz KBFDMVQRTUVNIS-CQSZACIVSA-N 1 1 344.419 0.817 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)nc1 ZINC001073865337 787400034 /nfs/dbraw/zinc/40/00/34/787400034.db2.gz GEATVYOGPBDRAK-SJORKVTESA-N 1 1 343.427 0.920 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001073872523 787412841 /nfs/dbraw/zinc/41/28/41/787412841.db2.gz SDAPTDDIHBIKRN-OAHLLOKOSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001073876564 787420403 /nfs/dbraw/zinc/42/04/03/787420403.db2.gz HCHQCVORIXGOJZ-PBHICJAKSA-N 1 1 330.384 0.667 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001073876564 787420408 /nfs/dbraw/zinc/42/04/08/787420408.db2.gz HCHQCVORIXGOJZ-PBHICJAKSA-N 1 1 330.384 0.667 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2COc3ccccc3O2)C1 ZINC001073876566 787420550 /nfs/dbraw/zinc/42/05/50/787420550.db2.gz HCHQCVORIXGOJZ-WMLDXEAASA-N 1 1 330.384 0.667 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COc3ccccc3O2)C1 ZINC001073876566 787420555 /nfs/dbraw/zinc/42/05/55/787420555.db2.gz HCHQCVORIXGOJZ-WMLDXEAASA-N 1 1 330.384 0.667 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001074634539 787462122 /nfs/dbraw/zinc/46/21/22/787462122.db2.gz FIADVRZUZNWMRL-KBPBESRZSA-N 1 1 336.436 0.100 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001073898975 787472973 /nfs/dbraw/zinc/47/29/73/787472973.db2.gz IBDBMBFWQMFVSZ-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001073898975 787472974 /nfs/dbraw/zinc/47/29/74/787472974.db2.gz IBDBMBFWQMFVSZ-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001073905419 787490017 /nfs/dbraw/zinc/49/00/17/787490017.db2.gz DZHCBLRJMMEZFJ-CQSZACIVSA-N 1 1 332.404 0.577 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001073908174 787495632 /nfs/dbraw/zinc/49/56/32/787495632.db2.gz CVDSBDUCXKYMBH-HNNXBMFYSA-N 1 1 346.431 0.967 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001073911564 787509275 /nfs/dbraw/zinc/50/92/75/787509275.db2.gz UZQKYRNPLXJKET-CABCVRRESA-N 1 1 338.452 0.703 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001073914874 787519952 /nfs/dbraw/zinc/51/99/52/787519952.db2.gz HAFOOLJVKDLDSN-CQSZACIVSA-N 1 1 332.404 0.577 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001074731326 787722069 /nfs/dbraw/zinc/72/20/69/787722069.db2.gz NRZFJAQZCAHOMH-JKSUJKDBSA-N 1 1 349.475 0.313 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001074731668 787723622 /nfs/dbraw/zinc/72/36/22/787723622.db2.gz ZAUIZWMYZZUURR-GJZGRUSLSA-N 1 1 337.464 0.620 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N2CCCC2)C3)[nH]1 ZINC001072633981 788474719 /nfs/dbraw/zinc/47/47/19/788474719.db2.gz QDLJOOBUNOIKNM-UHFFFAOYSA-N 1 1 341.415 0.657 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4ncc[nH]4)C3)C2)C1=O ZINC001072710824 788633937 /nfs/dbraw/zinc/63/39/37/788633937.db2.gz SNRMYTFUXHQQBW-ZDUSSCGKSA-N 1 1 329.404 0.345 20 30 ECEDMO COc1cncc(C[N@@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001072721035 788648260 /nfs/dbraw/zinc/64/82/60/788648260.db2.gz AEHGXLBJYOAWEP-UHFFFAOYSA-N 1 1 326.400 0.933 20 30 ECEDMO COc1cncc(C[N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001072721035 788648263 /nfs/dbraw/zinc/64/82/63/788648263.db2.gz AEHGXLBJYOAWEP-UHFFFAOYSA-N 1 1 326.400 0.933 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001072737671 788675279 /nfs/dbraw/zinc/67/52/79/788675279.db2.gz WLFNBRCLVUFFOF-IUODEOHRSA-N 1 1 331.420 0.805 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001074999473 788697942 /nfs/dbraw/zinc/69/79/42/788697942.db2.gz KRVCJYAZHGJDSN-GOEBONIOSA-N 1 1 346.431 0.727 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC1)C2 ZINC001072748025 788707612 /nfs/dbraw/zinc/70/76/12/788707612.db2.gz SJNMNNXYLUHRLG-CVEARBPZSA-N 1 1 347.459 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cc([C@H]4CCCN4C)[nH]n3)C2)C1 ZINC001072757534 788730331 /nfs/dbraw/zinc/73/03/31/788730331.db2.gz MDUNGJZUTLNUOZ-MRXNPFEDSA-N 1 1 327.432 0.958 20 30 ECEDMO C#CC[N@H+]1CCC2(CN(C(=O)c3cc([C@H]4CCCN4C)n[nH]3)C2)C1 ZINC001072757534 788730340 /nfs/dbraw/zinc/73/03/40/788730340.db2.gz MDUNGJZUTLNUOZ-MRXNPFEDSA-N 1 1 327.432 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cc([C@H]4CCCN4C)n[nH]3)C2)C1 ZINC001072757534 788730350 /nfs/dbraw/zinc/73/03/50/788730350.db2.gz MDUNGJZUTLNUOZ-MRXNPFEDSA-N 1 1 327.432 0.958 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001075066332 788841926 /nfs/dbraw/zinc/84/19/26/788841926.db2.gz BDYVPUJBCLLFOR-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)[C@@H](C)C1 ZINC001075069615 788846486 /nfs/dbraw/zinc/84/64/86/788846486.db2.gz MPNCSAHMCPUTBU-GXTWGEPZSA-N 1 1 349.460 0.944 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)CSCC#N)[C@H](C)C1 ZINC001075069617 788847011 /nfs/dbraw/zinc/84/70/11/788847011.db2.gz MPNCSAHMCPUTBU-OCCSQVGLSA-N 1 1 349.460 0.944 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)C4CC(OC)C4)C3)C2)C1=O ZINC001072838200 788933101 /nfs/dbraw/zinc/93/31/01/788933101.db2.gz BVNQVKZVQLNKOO-UYSNPLJNSA-N 1 1 347.459 0.733 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001072983833 789220944 /nfs/dbraw/zinc/22/09/44/789220944.db2.gz IFYJQUFGYXZCDI-KDOFPFPSSA-N 1 1 337.464 0.905 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001072999815 789255659 /nfs/dbraw/zinc/25/56/59/789255659.db2.gz SKZPBLOMCAXCNN-CABCVRRESA-N 1 1 331.420 0.404 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)Cn3ncn4nccc4c3=O)C2)C1 ZINC001073030223 789306291 /nfs/dbraw/zinc/30/62/91/789306291.db2.gz UEKQLENYVFKOAS-UHFFFAOYSA-N 1 1 342.403 0.001 20 30 ECEDMO C#CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001075413411 789339587 /nfs/dbraw/zinc/33/95/87/789339587.db2.gz NGGKLADVHHPQCI-GOEBONIOSA-N 1 1 346.431 0.748 20 30 ECEDMO C=CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001075415955 789344279 /nfs/dbraw/zinc/34/42/79/789344279.db2.gz QYCGSTRIUPBIPH-WMLDXEAASA-N 1 1 333.436 0.909 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001073050874 789349131 /nfs/dbraw/zinc/34/91/31/789349131.db2.gz CICMXVXODZOFTA-XHSDSOJGSA-N 1 1 347.459 0.781 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)C1 ZINC001073090003 789425842 /nfs/dbraw/zinc/42/58/42/789425842.db2.gz ZAMSKPKGVREEPH-OAHLLOKOSA-N 1 1 343.431 0.486 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001073093437 789430194 /nfs/dbraw/zinc/43/01/94/789430194.db2.gz UNULOJFBDTZTIZ-UHFFFAOYSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001073112000 789460487 /nfs/dbraw/zinc/46/04/87/789460487.db2.gz GVDNYYLEOZQCMF-UHFFFAOYSA-N 1 1 330.388 0.280 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001073112000 789460503 /nfs/dbraw/zinc/46/05/03/789460503.db2.gz GVDNYYLEOZQCMF-UHFFFAOYSA-N 1 1 330.388 0.280 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)COCC=C)CC1 ZINC001073121538 789476788 /nfs/dbraw/zinc/47/67/88/789476788.db2.gz CTNYKXPUEXINHP-INIZCTEOSA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)COCC=C)CC1 ZINC001073121538 789476790 /nfs/dbraw/zinc/47/67/90/789476790.db2.gz CTNYKXPUEXINHP-INIZCTEOSA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)CCc3ccccc3C(N)=O)C2)C1 ZINC001073126134 789484695 /nfs/dbraw/zinc/48/46/95/789484695.db2.gz XEQZSARUDKHIDN-UHFFFAOYSA-N 1 1 325.412 0.886 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4cc[nH]n4)[C@@H]3C2)C1=O ZINC001075640031 789608967 /nfs/dbraw/zinc/60/89/67/789608967.db2.gz QGAWZGWAVQYZMQ-NUEKZKHPSA-N 1 1 343.431 0.272 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccn[nH]4)[C@@H]3C2)C1=O ZINC001075640031 789608971 /nfs/dbraw/zinc/60/89/71/789608971.db2.gz QGAWZGWAVQYZMQ-NUEKZKHPSA-N 1 1 343.431 0.272 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4ccn[nH]4)[C@@H]3C2)C1=O ZINC001075640031 789608974 /nfs/dbraw/zinc/60/89/74/789608974.db2.gz QGAWZGWAVQYZMQ-NUEKZKHPSA-N 1 1 343.431 0.272 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ocnc4C)[C@@H]3C2)C1=O ZINC001075654393 789623511 /nfs/dbraw/zinc/62/35/11/789623511.db2.gz WYABGFOTBCEJFF-RRFJBIMHSA-N 1 1 344.415 0.916 20 30 ECEDMO CCC1(NC(=O)[C@@H](C)C#N)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001069272870 789724643 /nfs/dbraw/zinc/72/46/43/789724643.db2.gz HWZCEUYYCSJIEP-UONOGXRCSA-N 1 1 336.436 0.364 20 30 ECEDMO CCC1(NC(=O)[C@@H](C)C#N)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001069272870 789724645 /nfs/dbraw/zinc/72/46/45/789724645.db2.gz HWZCEUYYCSJIEP-UONOGXRCSA-N 1 1 336.436 0.364 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001073355460 789756066 /nfs/dbraw/zinc/75/60/66/789756066.db2.gz NSIXJJQWOYUERQ-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001073355460 789756071 /nfs/dbraw/zinc/75/60/71/789756071.db2.gz NSIXJJQWOYUERQ-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC001073427631 789827783 /nfs/dbraw/zinc/82/77/83/789827783.db2.gz AIYCICIRXKSSFB-UHFFFAOYSA-N 1 1 326.404 0.777 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N3CCOCC3)C2)C1 ZINC001073448817 789855688 /nfs/dbraw/zinc/85/56/88/789855688.db2.gz CISLTWSYEZPHBW-QGZVFWFLSA-N 1 1 331.460 0.655 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069548110 789892737 /nfs/dbraw/zinc/89/27/37/789892737.db2.gz OMFNVDDBOUIKDS-STQMWFEESA-N 1 1 328.420 0.513 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC(Nc3ccc(C#N)nn3)C2)C1 ZINC001069746220 790004849 /nfs/dbraw/zinc/00/48/49/790004849.db2.gz JGCSOYLTIHYRPL-NRXISQOPSA-N 1 1 344.419 0.470 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC(Nc3ccc(C#N)nn3)C2)C1 ZINC001069746220 790004854 /nfs/dbraw/zinc/00/48/54/790004854.db2.gz JGCSOYLTIHYRPL-NRXISQOPSA-N 1 1 344.419 0.470 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 ZINC001069815146 790049611 /nfs/dbraw/zinc/04/96/11/790049611.db2.gz WHPXBSSGAYJGHU-HNNXBMFYSA-N 1 1 326.404 0.695 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC(=O)N(C)C3)c2C1 ZINC001069862245 790115707 /nfs/dbraw/zinc/11/57/07/790115707.db2.gz HEOPGQIPWJXNQL-CQSZACIVSA-N 1 1 345.447 0.759 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC(=O)N(C)C3)c2C1 ZINC001069862245 790115709 /nfs/dbraw/zinc/11/57/09/790115709.db2.gz HEOPGQIPWJXNQL-CQSZACIVSA-N 1 1 345.447 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CCOC)CC2 ZINC001069863180 790117556 /nfs/dbraw/zinc/11/75/56/790117556.db2.gz BHNHTGNHIRLOBT-INIZCTEOSA-N 1 1 345.447 0.059 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CCOC)CC2 ZINC001069863180 790117558 /nfs/dbraw/zinc/11/75/58/790117558.db2.gz BHNHTGNHIRLOBT-INIZCTEOSA-N 1 1 345.447 0.059 20 30 ECEDMO C=C(C)CN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864613 790120708 /nfs/dbraw/zinc/12/07/08/790120708.db2.gz YTUVXZCWMMOLPF-RHSMWYFYSA-N 1 1 347.463 0.610 20 30 ECEDMO C=C(C)CN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864613 790120710 /nfs/dbraw/zinc/12/07/10/790120710.db2.gz YTUVXZCWMMOLPF-RHSMWYFYSA-N 1 1 347.463 0.610 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@H]3CCCC[N@@H+]3C)c2C1 ZINC001069865088 790121917 /nfs/dbraw/zinc/12/19/17/790121917.db2.gz ULPOMCCNTPLHHR-MRXNPFEDSA-N 1 1 329.448 0.823 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069893256 790161774 /nfs/dbraw/zinc/16/17/74/790161774.db2.gz NWUDLDIHHCSVPE-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069893256 790161776 /nfs/dbraw/zinc/16/17/76/790161776.db2.gz NWUDLDIHHCSVPE-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](n2ccnn2)C1 ZINC001069898959 790167125 /nfs/dbraw/zinc/16/71/25/790167125.db2.gz HWRZHPBGFKYVCD-CVEARBPZSA-N 1 1 341.419 0.998 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001069901554 790169827 /nfs/dbraw/zinc/16/98/27/790169827.db2.gz JVFRXDVGTVRLLN-CVEARBPZSA-N 1 1 343.435 0.562 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069905155 790174205 /nfs/dbraw/zinc/17/42/05/790174205.db2.gz HMXQNLWIQFJHGL-CABCVRRESA-N 1 1 329.408 0.552 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)ccn2C)[C@@H](n2ccnn2)C1 ZINC001069913885 790182742 /nfs/dbraw/zinc/18/27/42/790182742.db2.gz GIRRZPWIGASOPU-CABCVRRESA-N 1 1 326.404 0.604 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001069920324 790191152 /nfs/dbraw/zinc/19/11/52/790191152.db2.gz HBCMHVHSKYARAY-KGLIPLIRSA-N 1 1 345.407 0.520 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001069924757 790195962 /nfs/dbraw/zinc/19/59/62/790195962.db2.gz DCSOESDUSGDBFK-CVEARBPZSA-N 1 1 343.435 0.562 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001069940033 790214647 /nfs/dbraw/zinc/21/46/47/790214647.db2.gz ULMSRIFBHRJYPS-CABCVRRESA-N 1 1 341.419 0.730 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001069940033 790214651 /nfs/dbraw/zinc/21/46/51/790214651.db2.gz ULMSRIFBHRJYPS-CABCVRRESA-N 1 1 341.419 0.730 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069941949 790218024 /nfs/dbraw/zinc/21/80/24/790218024.db2.gz GCEYLWPCXXZMJP-PMPSAXMXSA-N 1 1 330.436 0.127 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069943291 790220116 /nfs/dbraw/zinc/22/01/16/790220116.db2.gz LKYRDMSEVCVMEH-CVEARBPZSA-N 1 1 341.419 0.652 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069943291 790220120 /nfs/dbraw/zinc/22/01/20/790220120.db2.gz LKYRDMSEVCVMEH-CVEARBPZSA-N 1 1 341.419 0.652 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)C1 ZINC001069945661 790224079 /nfs/dbraw/zinc/22/40/79/790224079.db2.gz SSEVMUHIWFGXFQ-OAGGEKHMSA-N 1 1 345.451 0.121 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CCC)CCOCC1 ZINC001069951005 790231928 /nfs/dbraw/zinc/23/19/28/790231928.db2.gz RNBQLDCXAMKNBS-HNNXBMFYSA-N 1 1 335.448 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CCC)CCOCC1 ZINC001069951005 790231933 /nfs/dbraw/zinc/23/19/33/790231933.db2.gz RNBQLDCXAMKNBS-HNNXBMFYSA-N 1 1 335.448 0.666 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001068833492 791223680 /nfs/dbraw/zinc/22/36/80/791223680.db2.gz OMGUGNAXXWPLAL-JKSUJKDBSA-N 1 1 347.459 0.760 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001068863153 791294520 /nfs/dbraw/zinc/29/45/20/791294520.db2.gz QDIAKBKIRMUCGY-HZPDHXFCSA-N 1 1 345.443 0.370 20 30 ECEDMO C=C(C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068891269 791352848 /nfs/dbraw/zinc/35/28/48/791352848.db2.gz KEYJGFDXRYBKPS-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@@H+](CC(=O)N[C@@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1)C1CCC1 ZINC001068905531 791385847 /nfs/dbraw/zinc/38/58/47/791385847.db2.gz KKZHGEBEZUQBOS-HNNXBMFYSA-N 1 1 345.443 0.370 20 30 ECEDMO C=CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001069000542 791568226 /nfs/dbraw/zinc/56/82/26/791568226.db2.gz GPMDJDCTYGBOHO-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1cc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nc(C)[nH+]1 ZINC001067667312 791994309 /nfs/dbraw/zinc/99/43/09/791994309.db2.gz KXOYJSRBFSGHQK-SWLSCSKDSA-N 1 1 340.387 0.520 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](CNc2ccc(C#N)nn2)C1 ZINC001066690045 791999122 /nfs/dbraw/zinc/99/91/22/791999122.db2.gz CTNCTLZLEIICGE-HUUCEWRRSA-N 1 1 344.419 0.472 20 30 ECEDMO COCC(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066698501 792018431 /nfs/dbraw/zinc/01/84/31/792018431.db2.gz LUOQPMYKEZCWNH-HNNXBMFYSA-N 1 1 329.404 0.323 20 30 ECEDMO CC(C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066698569 792019246 /nfs/dbraw/zinc/01/92/46/792019246.db2.gz MPBHDGOTOGZDKH-CQSZACIVSA-N 1 1 328.420 0.727 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)CC1 ZINC001066729193 792053516 /nfs/dbraw/zinc/05/35/16/792053516.db2.gz HUWNAPVEKIRYNY-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C1=COCCO1 ZINC001066733028 792061043 /nfs/dbraw/zinc/06/10/43/792061043.db2.gz NUGABOUXKKRTDF-HNNXBMFYSA-N 1 1 349.431 0.279 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C1=COCCO1 ZINC001066733028 792061054 /nfs/dbraw/zinc/06/10/54/792061054.db2.gz NUGABOUXKKRTDF-HNNXBMFYSA-N 1 1 349.431 0.279 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066736146 792070309 /nfs/dbraw/zinc/07/03/09/792070309.db2.gz GGNZZMYGEAHLTQ-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066736146 792070315 /nfs/dbraw/zinc/07/03/15/792070315.db2.gz GGNZZMYGEAHLTQ-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)CC2)C1 ZINC001066737142 792072767 /nfs/dbraw/zinc/07/27/67/792072767.db2.gz ZXDMFKCZQWOPRB-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)CC2)C1 ZINC001066737142 792072775 /nfs/dbraw/zinc/07/27/75/792072775.db2.gz ZXDMFKCZQWOPRB-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)CC2)C1 ZINC001066749781 792095528 /nfs/dbraw/zinc/09/55/28/792095528.db2.gz AESZKEYZSVXFQS-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066750145 792096752 /nfs/dbraw/zinc/09/67/52/792096752.db2.gz JUPMKWMKYRKBTG-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO CN(CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)CSCC#N ZINC001066871492 792242583 /nfs/dbraw/zinc/24/25/83/792242583.db2.gz IMGQPSMWBGPFMS-AWEZNQCLSA-N 1 1 340.493 0.892 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1ccc(C#N)[nH]1 ZINC001067008203 792562845 /nfs/dbraw/zinc/56/28/45/792562845.db2.gz ZNTHNKKEOUIMCH-HNNXBMFYSA-N 1 1 331.420 0.901 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001067108722 792706444 /nfs/dbraw/zinc/70/64/44/792706444.db2.gz NIWRTYBGBSOTMX-YPMHNXCESA-N 1 1 325.376 0.234 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1ccc(C#N)cn1 ZINC001067117612 792715939 /nfs/dbraw/zinc/71/59/39/792715939.db2.gz HQZBGXBPIYCIRU-GOEBONIOSA-N 1 1 343.431 0.934 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2nccnc2C#N)CC1(C)C ZINC001068126518 792716273 /nfs/dbraw/zinc/71/62/73/792716273.db2.gz DJQMHJSLEYBHND-AWEZNQCLSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]21 ZINC001068158596 792759081 /nfs/dbraw/zinc/75/90/81/792759081.db2.gz GCENNMASQPDZJP-HGTKMLMNSA-N 1 1 343.406 0.985 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001068162680 792765425 /nfs/dbraw/zinc/76/54/25/792765425.db2.gz SQLGSZZLWWKPDP-WCXIOVBPSA-N 1 1 341.415 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001068162680 792765429 /nfs/dbraw/zinc/76/54/29/792765429.db2.gz SQLGSZZLWWKPDP-WCXIOVBPSA-N 1 1 341.415 0.082 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2cncc(C#N)n2)[C@@H](C)C1 ZINC001067167482 792770178 /nfs/dbraw/zinc/77/01/78/792770178.db2.gz ZYQXRMIKMDSKIK-FZMZJTMJSA-N 1 1 325.376 0.812 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ncc(C#N)cc4F)C[C@H]32)C1 ZINC001068175613 792788310 /nfs/dbraw/zinc/78/83/10/792788310.db2.gz QKHMTAKSEJHKCL-ZQDZILKHSA-N 1 1 343.406 0.842 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC001067239481 792867542 /nfs/dbraw/zinc/86/75/42/792867542.db2.gz ZGKJSVIMNZDCBE-CYBMUJFWSA-N 1 1 331.420 0.759 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCCN(C)C(=O)C#CC2CC2)C1 ZINC001067380570 793062825 /nfs/dbraw/zinc/06/28/25/793062825.db2.gz PAUSPAOMQBORRS-QGZVFWFLSA-N 1 1 349.475 0.816 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1C ZINC001067421586 793130696 /nfs/dbraw/zinc/13/06/96/793130696.db2.gz XPNIGWSPPNEBLA-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)CCO2 ZINC001068410632 793256789 /nfs/dbraw/zinc/25/67/89/793256789.db2.gz WWXSGDPYFZVVNE-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001068420145 793277087 /nfs/dbraw/zinc/27/70/87/793277087.db2.gz FRGHGHQIVFHQGC-AWEZNQCLSA-N 1 1 336.436 0.318 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068460944 793350223 /nfs/dbraw/zinc/35/02/23/793350223.db2.gz BSEDTAQNFBQINY-UHFFFAOYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)CC[NH2+]Cc2nnnn2C2CC2)c1 ZINC001267425671 837397950 /nfs/dbraw/zinc/39/79/50/837397950.db2.gz HAWITLQKRCFPOA-UHFFFAOYSA-N 1 1 325.376 0.246 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001267459829 837447248 /nfs/dbraw/zinc/44/72/48/837447248.db2.gz NTNWMNPFGZYTGJ-KBPBESRZSA-N 1 1 331.482 0.813 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]([NH2+]CC(=O)NC)c2ccccc2)nc1 ZINC001267524951 837685299 /nfs/dbraw/zinc/68/52/99/837685299.db2.gz IFKHQXQYXBVGIO-QGZVFWFLSA-N 1 1 336.395 0.870 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cncnc2)C1 ZINC001267525004 837687231 /nfs/dbraw/zinc/68/72/31/837687231.db2.gz XJRUJFLAYCBZNE-UONOGXRCSA-N 1 1 331.420 0.609 20 30 ECEDMO CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267531322 837703657 /nfs/dbraw/zinc/70/36/57/837703657.db2.gz QBEVXTGXMOCYBX-JKSUJKDBSA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267531322 837703665 /nfs/dbraw/zinc/70/36/65/837703665.db2.gz QBEVXTGXMOCYBX-JKSUJKDBSA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267531322 837703676 /nfs/dbraw/zinc/70/36/76/837703676.db2.gz QBEVXTGXMOCYBX-JKSUJKDBSA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267531322 837703683 /nfs/dbraw/zinc/70/36/83/837703683.db2.gz QBEVXTGXMOCYBX-JKSUJKDBSA-N 1 1 349.479 0.327 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2nn(C)cc2C)C1 ZINC001267531660 837705312 /nfs/dbraw/zinc/70/53/12/837705312.db2.gz WNWWNJVMMNJDJR-LSDHHAIUSA-N 1 1 347.463 0.861 20 30 ECEDMO CC[C@]1(C(=O)NCC[C@@H]2CC[N@@H+](CC#CCOC)C2)CCNC1=O ZINC001267536366 837715971 /nfs/dbraw/zinc/71/59/71/837715971.db2.gz RMPNNRMWOROEIX-CRAIPNDOSA-N 1 1 335.448 0.381 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccccc2O)C1 ZINC001267551850 837753644 /nfs/dbraw/zinc/75/36/44/837753644.db2.gz SIBIHZUZTHATNI-CQSZACIVSA-N 1 1 329.400 0.583 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2n[nH]c(C)c2C)C1 ZINC001267554268 837759260 /nfs/dbraw/zinc/75/92/60/837759260.db2.gz GVEFCYWFSPCOBA-AWEZNQCLSA-N 1 1 333.436 0.771 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001267557119 837764474 /nfs/dbraw/zinc/76/44/74/837764474.db2.gz YYDWBBADYSWZAT-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C[N@@H+]1CCC[C@H]1CCC(=O)NCC[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267557596 837765484 /nfs/dbraw/zinc/76/54/84/837765484.db2.gz IXEZDMZWZLMLMZ-CVEARBPZSA-N 1 1 349.479 0.329 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NCC[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267557596 837765490 /nfs/dbraw/zinc/76/54/90/837765490.db2.gz IXEZDMZWZLMLMZ-CVEARBPZSA-N 1 1 349.479 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001267561895 837772614 /nfs/dbraw/zinc/77/26/14/837772614.db2.gz RQKCAERHRBSCES-NVXWUHKLSA-N 1 1 325.412 0.998 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001267558656 837767512 /nfs/dbraw/zinc/76/75/12/837767512.db2.gz DJTSNSHSISXLAU-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001267558657 837768338 /nfs/dbraw/zinc/76/83/38/837768338.db2.gz DJTSNSHSISXLAU-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2cnn3c2CCC3)C1 ZINC001267559481 837769109 /nfs/dbraw/zinc/76/91/09/837769109.db2.gz VSFFRUCPEGMUNI-OAHLLOKOSA-N 1 1 330.432 0.921 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001267562465 837774658 /nfs/dbraw/zinc/77/46/58/837774658.db2.gz VWTDVSDXRYIQHU-ZFWWWQNUSA-N 1 1 329.404 0.217 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001267562718 837774933 /nfs/dbraw/zinc/77/49/33/837774933.db2.gz YXSGRWSTHASQKA-IHRRRGAJSA-N 1 1 336.436 0.482 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](CCNC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001267568432 837789953 /nfs/dbraw/zinc/78/99/53/837789953.db2.gz VCVDKIANXRPDFM-AWEZNQCLSA-N 1 1 334.420 0.331 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC001267568618 837791390 /nfs/dbraw/zinc/79/13/90/837791390.db2.gz VUFPTSVNWJUHFI-IAGOWNOFSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ocnc2CC)C1 ZINC001267569885 837799269 /nfs/dbraw/zinc/79/92/69/837799269.db2.gz DTROALGEWHHEGI-ZIAGYGMSSA-N 1 1 346.431 0.817 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CCNC(=O)Cc2nc3ncccn3n2)C1 ZINC001267572286 837809963 /nfs/dbraw/zinc/80/99/63/837809963.db2.gz YGUFRGDFKMOUGJ-AWEZNQCLSA-N 1 1 326.404 0.518 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001266248773 835553840 /nfs/dbraw/zinc/55/38/40/835553840.db2.gz QMDYDXCXJDRABV-HIFRSBDPSA-N 1 1 327.450 0.062 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C)nc1 ZINC001266258641 835566617 /nfs/dbraw/zinc/56/66/17/835566617.db2.gz UTLZBUIBMONUBZ-CYBMUJFWSA-N 1 1 347.419 0.452 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C)nc1 ZINC001266258641 835566629 /nfs/dbraw/zinc/56/66/29/835566629.db2.gz UTLZBUIBMONUBZ-CYBMUJFWSA-N 1 1 347.419 0.452 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C)nc1 ZINC001266258648 835567215 /nfs/dbraw/zinc/56/72/15/835567215.db2.gz UTLZBUIBMONUBZ-ZDUSSCGKSA-N 1 1 347.419 0.452 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C)nc1 ZINC001266258648 835567219 /nfs/dbraw/zinc/56/72/19/835567219.db2.gz UTLZBUIBMONUBZ-ZDUSSCGKSA-N 1 1 347.419 0.452 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCCC[NH+]1CCN(Cc2nc(C)no2)CC1 ZINC001266262070 835572292 /nfs/dbraw/zinc/57/22/92/835572292.db2.gz AVBIBRGPOUDDGV-CQSZACIVSA-N 1 1 349.435 0.040 20 30 ECEDMO C#CCCCC(=O)NCCC[NH+]1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC001266263139 835574454 /nfs/dbraw/zinc/57/44/54/835574454.db2.gz VWRMGDIBDFTJDP-INIZCTEOSA-N 1 1 336.480 0.391 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)Cc2cnn3c2CCCC3)CC1 ZINC001266264915 835578680 /nfs/dbraw/zinc/57/86/80/835578680.db2.gz OLXPXQLWJZMVQW-UHFFFAOYSA-N 1 1 344.463 0.409 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCC[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC001266265156 835578748 /nfs/dbraw/zinc/57/87/48/835578748.db2.gz XSWXGAQVZKUFAW-UHFFFAOYSA-N 1 1 338.496 0.801 20 30 ECEDMO C[N@@H+](CCNC(=O)c1c[nH]c(C#N)c1)Cc1cc(=O)n2nccc2[nH]1 ZINC001266270393 835590891 /nfs/dbraw/zinc/59/08/91/835590891.db2.gz QPFOPHVSZVNOQE-UHFFFAOYSA-N 1 1 339.359 0.084 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1[nH]ccc1C ZINC001266271875 835593807 /nfs/dbraw/zinc/59/38/07/835593807.db2.gz NIJAVEPCMNBBKO-GFCCVEGCSA-N 1 1 335.408 0.385 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1[nH]ccc1C ZINC001266271875 835593812 /nfs/dbraw/zinc/59/38/12/835593812.db2.gz NIJAVEPCMNBBKO-GFCCVEGCSA-N 1 1 335.408 0.385 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)[C@H]1COC(=O)N1 ZINC001266271981 835593877 /nfs/dbraw/zinc/59/38/77/835593877.db2.gz PBHMXKFITUMPMD-CQSZACIVSA-N 1 1 335.791 0.848 20 30 ECEDMO C[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)[C@H]1COC(=O)N1 ZINC001266271981 835593881 /nfs/dbraw/zinc/59/38/81/835593881.db2.gz PBHMXKFITUMPMD-CQSZACIVSA-N 1 1 335.791 0.848 20 30 ECEDMO C#CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCc3n[nH]nc32)CC1 ZINC001266272191 835594491 /nfs/dbraw/zinc/59/44/91/835594491.db2.gz YEGIEPFOYDFPJQ-OAHLLOKOSA-N 1 1 344.463 0.372 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC001266276925 835601805 /nfs/dbraw/zinc/60/18/05/835601805.db2.gz GONINZGJCJDTLM-HNNXBMFYSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC001266288065 835630663 /nfs/dbraw/zinc/63/06/63/835630663.db2.gz QAOQTFWMANSUML-UHFFFAOYSA-N 1 1 337.427 0.853 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001266290860 835634835 /nfs/dbraw/zinc/63/48/35/835634835.db2.gz NFGGHHXMFGJCGF-RDBSUJKOSA-N 1 1 336.436 0.482 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001266290860 835634839 /nfs/dbraw/zinc/63/48/39/835634839.db2.gz NFGGHHXMFGJCGF-RDBSUJKOSA-N 1 1 336.436 0.482 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CC[N@@H+](Cc2cnc(OC)nc2C)C1 ZINC001266319488 835689084 /nfs/dbraw/zinc/68/90/84/835689084.db2.gz MRNNERQXEZYJCE-HNNXBMFYSA-N 1 1 332.404 0.524 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CC[N@H+](Cc2cnc(OC)nc2C)C1 ZINC001266319488 835689089 /nfs/dbraw/zinc/68/90/89/835689089.db2.gz MRNNERQXEZYJCE-HNNXBMFYSA-N 1 1 332.404 0.524 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001266327692 835708260 /nfs/dbraw/zinc/70/82/60/835708260.db2.gz JYSSZAJKSWYJFU-CZUORRHYSA-N 1 1 345.447 0.642 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001266327692 835708266 /nfs/dbraw/zinc/70/82/66/835708266.db2.gz JYSSZAJKSWYJFU-CZUORRHYSA-N 1 1 345.447 0.642 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001266333376 835716364 /nfs/dbraw/zinc/71/63/64/835716364.db2.gz LTEQAFCTJJXDBM-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001266333376 835716367 /nfs/dbraw/zinc/71/63/67/835716367.db2.gz LTEQAFCTJJXDBM-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001266336159 835719940 /nfs/dbraw/zinc/71/99/40/835719940.db2.gz KVHRQVMKNWLNQZ-AEFFLSMTSA-N 1 1 349.475 0.470 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001266336159 835719946 /nfs/dbraw/zinc/71/99/46/835719946.db2.gz KVHRQVMKNWLNQZ-AEFFLSMTSA-N 1 1 349.475 0.470 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001266347627 835740040 /nfs/dbraw/zinc/74/00/40/835740040.db2.gz QDPCLIYFTUISRA-LLVKDONJSA-N 1 1 348.432 0.935 20 30 ECEDMO CCOCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC#CCOC)C2)cn1 ZINC001266350543 835746687 /nfs/dbraw/zinc/74/66/87/835746687.db2.gz VPIQYRQXHSOOJN-MRXNPFEDSA-N 1 1 334.420 0.374 20 30 ECEDMO CCOCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC#CCOC)C2)cn1 ZINC001266350543 835746694 /nfs/dbraw/zinc/74/66/94/835746694.db2.gz VPIQYRQXHSOOJN-MRXNPFEDSA-N 1 1 334.420 0.374 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc2c[nH]nc2c1 ZINC001266354623 835757506 /nfs/dbraw/zinc/75/75/06/835757506.db2.gz HHUPKKGAOAEADY-CYBMUJFWSA-N 1 1 343.431 0.844 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1ccc2c[nH]nc2c1 ZINC001266354623 835757509 /nfs/dbraw/zinc/75/75/09/835757509.db2.gz HHUPKKGAOAEADY-CYBMUJFWSA-N 1 1 343.431 0.844 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266361906 835772104 /nfs/dbraw/zinc/77/21/04/835772104.db2.gz URVCVQFPKQTIHL-WMZOPIPTSA-N 1 1 337.423 0.757 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266361906 835772114 /nfs/dbraw/zinc/77/21/14/835772114.db2.gz URVCVQFPKQTIHL-WMZOPIPTSA-N 1 1 337.423 0.757 20 30 ECEDMO C=CCNC(=O)CN1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001266382279 835793085 /nfs/dbraw/zinc/79/30/85/835793085.db2.gz KRCSAZNNUQQCID-HNNXBMFYSA-N 1 1 336.480 0.600 20 30 ECEDMO C=CCNC(=O)CN1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001266382279 835793096 /nfs/dbraw/zinc/79/30/96/835793096.db2.gz KRCSAZNNUQQCID-HNNXBMFYSA-N 1 1 336.480 0.600 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@H+](CC)[C@H]1CCN(C2CCC2)C1=O ZINC001266390961 835800727 /nfs/dbraw/zinc/80/07/27/835800727.db2.gz UDMSXHNMQJSDBN-HOCLYGCPSA-N 1 1 335.448 0.616 20 30 ECEDMO CC[N@H+](CCNC(=O)Cc1cc(C)ccc1C)CC(=O)NCC#N ZINC001266413437 835819043 /nfs/dbraw/zinc/81/90/43/835819043.db2.gz NFOUERBLJOPPMK-UHFFFAOYSA-N 1 1 330.432 0.924 20 30 ECEDMO CC[N@@H+](CCNC(=O)Cc1cc(C)ccc1C)CC(=O)NCC#N ZINC001266413437 835819054 /nfs/dbraw/zinc/81/90/54/835819054.db2.gz NFOUERBLJOPPMK-UHFFFAOYSA-N 1 1 330.432 0.924 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cccc(NC(C)=O)c1)CC(=O)NCC#N ZINC001266437594 835841485 /nfs/dbraw/zinc/84/14/85/835841485.db2.gz FUYBBUBCBPACRD-UHFFFAOYSA-N 1 1 345.403 0.336 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cccc(NC(C)=O)c1)CC(=O)NCC#N ZINC001266437594 835841491 /nfs/dbraw/zinc/84/14/91/835841491.db2.gz FUYBBUBCBPACRD-UHFFFAOYSA-N 1 1 345.403 0.336 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(F)F)C1 ZINC001266448028 835850939 /nfs/dbraw/zinc/85/09/39/835850939.db2.gz FLOFNHITJKLACH-STQMWFEESA-N 1 1 329.391 0.950 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)COC(C)C)C1 ZINC001266452219 835854690 /nfs/dbraw/zinc/85/46/90/835854690.db2.gz LJWJKGQHQPHIHV-HNNXBMFYSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)OCC)C1 ZINC001266453089 835856321 /nfs/dbraw/zinc/85/63/21/835856321.db2.gz XPZBULPEKHMNEM-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H](C[N@H+](C)CC(=O)NC2CC2)C1 ZINC001266455861 835859618 /nfs/dbraw/zinc/85/96/18/835859618.db2.gz MPOTWUFVEWZYOX-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2cnc(C)o2)C1 ZINC001266459326 835861974 /nfs/dbraw/zinc/86/19/74/835861974.db2.gz OCLGDRBQZQSYDV-HNNXBMFYSA-N 1 1 348.447 0.998 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1coc(OCC)n1 ZINC001266471215 835874530 /nfs/dbraw/zinc/87/45/30/835874530.db2.gz KTZDWSAXHXMZAI-OLZOCXBDSA-N 1 1 348.403 0.405 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1coc(OCC)n1 ZINC001266471215 835874534 /nfs/dbraw/zinc/87/45/34/835874534.db2.gz KTZDWSAXHXMZAI-OLZOCXBDSA-N 1 1 348.403 0.405 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccn2nccc12 ZINC001266471919 835874882 /nfs/dbraw/zinc/87/48/82/835874882.db2.gz YWUCXGSHHWPYHP-CQSZACIVSA-N 1 1 339.399 0.278 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccn2nccc12 ZINC001266471919 835874888 /nfs/dbraw/zinc/87/48/88/835874888.db2.gz YWUCXGSHHWPYHP-CQSZACIVSA-N 1 1 339.399 0.278 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccnnc1C ZINC001266471490 835874956 /nfs/dbraw/zinc/87/49/56/835874956.db2.gz PZTPUKPFAFRLKX-KBPBESRZSA-N 1 1 331.420 0.670 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccnnc1C ZINC001266471490 835874961 /nfs/dbraw/zinc/87/49/61/835874961.db2.gz PZTPUKPFAFRLKX-KBPBESRZSA-N 1 1 331.420 0.670 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C(F)F ZINC001266482653 835882404 /nfs/dbraw/zinc/88/24/04/835882404.db2.gz FZZIYWUDISWKTK-NEPJUHHUSA-N 1 1 329.391 0.996 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)C(F)F ZINC001266482653 835882412 /nfs/dbraw/zinc/88/24/12/835882412.db2.gz FZZIYWUDISWKTK-NEPJUHHUSA-N 1 1 329.391 0.996 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)Cc2ncc[nH]2)C1=O ZINC001266485472 835884866 /nfs/dbraw/zinc/88/48/66/835884866.db2.gz CLWNEDQKNOEGJM-KGLIPLIRSA-N 1 1 331.420 0.320 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(COC)on1 ZINC001266485514 835885537 /nfs/dbraw/zinc/88/55/37/835885537.db2.gz DFHCDYDVZQHKTN-OLZOCXBDSA-N 1 1 348.403 0.153 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(COC)on1 ZINC001266485514 835885544 /nfs/dbraw/zinc/88/55/44/835885544.db2.gz DFHCDYDVZQHKTN-OLZOCXBDSA-N 1 1 348.403 0.153 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)Cc2ncc[nH]2)C1=O ZINC001266485471 835885728 /nfs/dbraw/zinc/88/57/28/835885728.db2.gz CLWNEDQKNOEGJM-KBPBESRZSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccccn1 ZINC001266488562 835888410 /nfs/dbraw/zinc/88/84/10/835888410.db2.gz LGZSUVPUDMJZHA-CABCVRRESA-N 1 1 346.431 0.732 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccccn1 ZINC001266488562 835888415 /nfs/dbraw/zinc/88/84/15/835888415.db2.gz LGZSUVPUDMJZHA-CABCVRRESA-N 1 1 346.431 0.732 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)NCC=C)nc1 ZINC001266489092 835889342 /nfs/dbraw/zinc/88/93/42/835889342.db2.gz WHFFRTOFCZWXNV-HOCLYGCPSA-N 1 1 340.427 0.948 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)NCC=C)nc1 ZINC001266489092 835889347 /nfs/dbraw/zinc/88/93/47/835889347.db2.gz WHFFRTOFCZWXNV-HOCLYGCPSA-N 1 1 340.427 0.948 20 30 ECEDMO C=CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001266501900 835902672 /nfs/dbraw/zinc/90/26/72/835902672.db2.gz NVGSKHQRFNKUKW-OAGGEKHMSA-N 1 1 336.480 0.693 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccnc(OC)n2)C1 ZINC001266510713 835917236 /nfs/dbraw/zinc/91/72/36/835917236.db2.gz FAOZRDFOQIPPIO-SUMWQHHRSA-N 1 1 334.420 0.750 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@H+](CCn2nc(C)nc2C)C1 ZINC001266511104 835918458 /nfs/dbraw/zinc/91/84/58/835918458.db2.gz JGKVJXCBEFMXNN-NVXWUHKLSA-N 1 1 335.452 0.660 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001266517830 835929762 /nfs/dbraw/zinc/92/97/62/835929762.db2.gz OBCXCIAHVQSYJK-ZIAGYGMSSA-N 1 1 343.431 0.019 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](CNC(=O)c2cnn3ncccc23)C1 ZINC001266517682 835930021 /nfs/dbraw/zinc/93/00/21/835930021.db2.gz MCJSOIQQNBBBEX-CQSZACIVSA-N 1 1 329.404 0.984 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](CNC(=O)c2cnn3ncccc23)C1 ZINC001266517673 835930171 /nfs/dbraw/zinc/93/01/71/835930171.db2.gz MCJSOIQQNBBBEX-AWEZNQCLSA-N 1 1 329.404 0.984 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCCC#CC)C1 ZINC001266525482 835940115 /nfs/dbraw/zinc/94/01/15/835940115.db2.gz ISLGNVXBSNQYKR-OAHLLOKOSA-N 1 1 348.447 0.630 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)Cc2cnn(C)c2)C1 ZINC001266540064 835960880 /nfs/dbraw/zinc/96/08/80/835960880.db2.gz NYNKGYFREJRTPX-HOTGVXAUSA-N 1 1 332.448 0.687 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#C)nc2)C1 ZINC001266544499 835965480 /nfs/dbraw/zinc/96/54/80/835965480.db2.gz CBKMUVITGSJKGB-CABCVRRESA-N 1 1 338.411 0.253 20 30 ECEDMO CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cc1 ZINC001266546726 835968167 /nfs/dbraw/zinc/96/81/67/835968167.db2.gz VVLMQDJBRGRLBX-AWEZNQCLSA-N 1 1 344.415 0.777 20 30 ECEDMO CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cc1 ZINC001266546726 835968173 /nfs/dbraw/zinc/96/81/73/835968173.db2.gz VVLMQDJBRGRLBX-AWEZNQCLSA-N 1 1 344.415 0.777 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2nonc2C)C1 ZINC001266551158 835976117 /nfs/dbraw/zinc/97/61/17/835976117.db2.gz MOGPQICGAQZUFD-CQSZACIVSA-N 1 1 349.435 0.854 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCNC(=O)c2cnsn2)C2CC2)C1=O ZINC001266583974 836014877 /nfs/dbraw/zinc/01/48/77/836014877.db2.gz PWLZTHZPMUJXFW-CYBMUJFWSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCNC(=O)c2cnsn2)C2CC2)C1=O ZINC001266583974 836014890 /nfs/dbraw/zinc/01/48/90/836014890.db2.gz PWLZTHZPMUJXFW-CYBMUJFWSA-N 1 1 335.433 0.519 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN([C@@H](C)c1nncn1C)C1CC1 ZINC001266596321 836027896 /nfs/dbraw/zinc/02/78/96/836027896.db2.gz AHYSLJCIXXESDZ-HOCLYGCPSA-N 1 1 344.463 0.554 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN([C@@H](C)c1nncn1C)C1CC1 ZINC001266596321 836027905 /nfs/dbraw/zinc/02/79/05/836027905.db2.gz AHYSLJCIXXESDZ-HOCLYGCPSA-N 1 1 344.463 0.554 20 30 ECEDMO COc1ccc(-n2nnnc2C[NH2+]CCN(C)C(=O)[C@@H](C)C#N)cc1 ZINC001266660114 836097479 /nfs/dbraw/zinc/09/74/79/836097479.db2.gz KDWISDRNKABCST-LBPRGKRZSA-N 1 1 343.391 0.379 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2nnc(C)[nH]2)C1 ZINC001266660297 836098470 /nfs/dbraw/zinc/09/84/70/836098470.db2.gz VZUORWFMWYGDMQ-HZPDHXFCSA-N 1 1 345.447 0.618 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1n[nH]cc1C(F)(F)F ZINC001266722602 836200957 /nfs/dbraw/zinc/20/09/57/836200957.db2.gz VSPPOTAYSWIBMG-VIFPVBQESA-N 1 1 345.325 0.228 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001266742665 836226448 /nfs/dbraw/zinc/22/64/48/836226448.db2.gz DOXFWTRJTKCQLC-CABCVRRESA-N 1 1 333.436 0.796 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CCC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266751028 836242853 /nfs/dbraw/zinc/24/28/53/836242853.db2.gz ASLIIEBXAUWNML-HOTGVXAUSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266751028 836242865 /nfs/dbraw/zinc/24/28/65/836242865.db2.gz ASLIIEBXAUWNML-HOTGVXAUSA-N 1 1 348.491 0.437 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001266758121 836254686 /nfs/dbraw/zinc/25/46/86/836254686.db2.gz NZUZNKOXKNSEKA-SUJAAXHWSA-N 1 1 335.448 0.398 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C(C)C)no2)C1 ZINC001266764218 836268236 /nfs/dbraw/zinc/26/82/36/836268236.db2.gz MRSLTFFIPGVRMX-AWEZNQCLSA-N 1 1 346.431 0.989 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C(C)C)no2)C1 ZINC001266764218 836268246 /nfs/dbraw/zinc/26/82/46/836268246.db2.gz MRSLTFFIPGVRMX-AWEZNQCLSA-N 1 1 346.431 0.989 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)CNC(C)=O)C1 ZINC001266764850 836269123 /nfs/dbraw/zinc/26/91/23/836269123.db2.gz WQIQNISVVJSSEN-MRXNPFEDSA-N 1 1 337.464 0.627 20 30 ECEDMO CCc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)no1 ZINC001266767173 836274333 /nfs/dbraw/zinc/27/43/33/836274333.db2.gz LIHQKINOUOHODP-LBPRGKRZSA-N 1 1 333.392 0.319 20 30 ECEDMO CCc1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)no1 ZINC001266767173 836274340 /nfs/dbraw/zinc/27/43/40/836274340.db2.gz LIHQKINOUOHODP-LBPRGKRZSA-N 1 1 333.392 0.319 20 30 ECEDMO CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cc(C[NH+](C)C)on1 ZINC001408545127 836353921 /nfs/dbraw/zinc/35/39/21/836353921.db2.gz RJCHSVCBLDGYEE-UHFFFAOYSA-N 1 1 344.375 0.438 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC001266843002 836369751 /nfs/dbraw/zinc/36/97/51/836369751.db2.gz YUWGZHVTCWEHAH-SJORKVTESA-N 1 1 349.475 0.913 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1ccncn1 ZINC001266845286 836373122 /nfs/dbraw/zinc/37/31/22/836373122.db2.gz VNCHSHIITJNRNW-INIZCTEOSA-N 1 1 345.447 0.682 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CCc1ccncn1 ZINC001266845286 836373129 /nfs/dbraw/zinc/37/31/29/836373129.db2.gz VNCHSHIITJNRNW-INIZCTEOSA-N 1 1 345.447 0.682 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001266858070 836396101 /nfs/dbraw/zinc/39/61/01/836396101.db2.gz QUFMBFWHTYUZEN-ZDUSSCGKSA-N 1 1 332.404 0.733 20 30 ECEDMO C=CCn1cc(C(=O)N(C)CC[NH2+][C@@H](C)c2nnnn2C2CC2)nn1 ZINC001266861779 836401897 /nfs/dbraw/zinc/40/18/97/836401897.db2.gz JYBQOROSUZXOOR-NSHDSACASA-N 1 1 345.411 0.208 20 30 ECEDMO C#CCOCCC(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001266867849 836412009 /nfs/dbraw/zinc/41/20/09/836412009.db2.gz QGNXDQCNOPZVDT-ZIAGYGMSSA-N 1 1 334.424 0.282 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccnc(F)c2)C1 ZINC001266890050 836439006 /nfs/dbraw/zinc/43/90/06/836439006.db2.gz LQNICKKTFWXIGK-HIFRSBDPSA-N 1 1 346.406 0.800 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(C)nc2C)C1 ZINC001266893792 836443505 /nfs/dbraw/zinc/44/35/05/836443505.db2.gz SKULXFMEROIUKS-UKRRQHHQSA-N 1 1 347.463 0.861 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(C)nc2C)C1 ZINC001266893789 836444365 /nfs/dbraw/zinc/44/43/65/836444365.db2.gz SKULXFMEROIUKS-HIFRSBDPSA-N 1 1 347.463 0.861 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N[C@H](C)CCC)C[C@H]21 ZINC001266900887 836454839 /nfs/dbraw/zinc/45/48/39/836454839.db2.gz PCFWZFUKBHKHAK-ZVPUSRDESA-N 1 1 337.464 0.665 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N[C@H](C)CCC)C[C@H]21 ZINC001266900887 836454844 /nfs/dbraw/zinc/45/48/44/836454844.db2.gz PCFWZFUKBHKHAK-ZVPUSRDESA-N 1 1 337.464 0.665 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NCCCC)C[C@H]21 ZINC001266901135 836455315 /nfs/dbraw/zinc/45/53/15/836455315.db2.gz VOGKIZVNZHZTDT-SUJAAXHWSA-N 1 1 335.448 0.376 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(F)(F)C1 ZINC001266901265 836456439 /nfs/dbraw/zinc/45/64/39/836456439.db2.gz VAQQCNRWMNAOIF-QSLWVIQJSA-N 1 1 339.386 0.606 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@H](C(C)C)C1 ZINC001266904753 836460977 /nfs/dbraw/zinc/46/09/77/836460977.db2.gz HREWQNLXADQMLQ-RNGZQALNSA-N 1 1 347.459 0.233 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@H](C(C)C)C1 ZINC001266904753 836460982 /nfs/dbraw/zinc/46/09/82/836460982.db2.gz HREWQNLXADQMLQ-RNGZQALNSA-N 1 1 347.459 0.233 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ncc(C)cn2)nn1 ZINC001266977379 836548414 /nfs/dbraw/zinc/54/84/14/836548414.db2.gz OUVWPZKITMUILS-CYBMUJFWSA-N 1 1 329.408 0.861 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)CC[NH2+]Cc2nnnn2CCCC)nc1 ZINC001266992163 836576798 /nfs/dbraw/zinc/57/67/98/836576798.db2.gz AJHMDOZLDFWCLA-UHFFFAOYSA-N 1 1 341.419 0.711 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001267006323 836605601 /nfs/dbraw/zinc/60/56/01/836605601.db2.gz GMTONNCARSPBTD-AWEZNQCLSA-N 1 1 331.420 0.723 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NC(C)(C)C)C1 ZINC001267104357 836781075 /nfs/dbraw/zinc/78/10/75/836781075.db2.gz AWLVHAOXCPRDPI-OAHLLOKOSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NC(C)(C)C)C1 ZINC001267104357 836781084 /nfs/dbraw/zinc/78/10/84/836781084.db2.gz AWLVHAOXCPRDPI-OAHLLOKOSA-N 1 1 337.464 0.864 20 30 ECEDMO CC[C@@]1(C(=O)N2CCC[C@@H]([N@@H+](C)CC#CCOC)C2)CCNC1=O ZINC001267105279 836782926 /nfs/dbraw/zinc/78/29/26/836782926.db2.gz YTSQWOFLMSCTER-CRAIPNDOSA-N 1 1 335.448 0.475 20 30 ECEDMO CC[C@]1(C(=O)N2CCC[C@@H]([N@@H+](C)CC#CCOC)C2)CCNC1=O ZINC001267105288 836783106 /nfs/dbraw/zinc/78/31/06/836783106.db2.gz YTSQWOFLMSCTER-QAPCUYQASA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)C(=O)NC2CC2)C1 ZINC001267105560 836785007 /nfs/dbraw/zinc/78/50/07/836785007.db2.gz KVPQTNXZZUNNAH-GDBMZVCRSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001267107481 836789977 /nfs/dbraw/zinc/78/99/77/836789977.db2.gz DPJCKMKVBYZTKU-OAHLLOKOSA-N 1 1 335.452 0.861 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001267111698 836796981 /nfs/dbraw/zinc/79/69/81/836796981.db2.gz LKXIRFIQXLXXHO-KGLIPLIRSA-N 1 1 331.482 0.669 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001267112826 836802611 /nfs/dbraw/zinc/80/26/11/836802611.db2.gz YAWLZAHRGIDUBL-KBPBESRZSA-N 1 1 331.420 0.392 20 30 ECEDMO Cc1cc(C(=O)NCCC[C@H]2CCC[N@H+]2CC(=O)NCC#N)n(C)n1 ZINC001267161649 836874916 /nfs/dbraw/zinc/87/49/16/836874916.db2.gz VBZRROUFVJVSHA-AWEZNQCLSA-N 1 1 346.435 0.343 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCCO1 ZINC001267166544 836889436 /nfs/dbraw/zinc/88/94/36/836889436.db2.gz ZCPOUCKFNJFVHD-CABCVRRESA-N 1 1 336.436 0.556 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001267169186 836897943 /nfs/dbraw/zinc/89/79/43/836897943.db2.gz KXULGOCILSWBNM-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001267177909 836920317 /nfs/dbraw/zinc/92/03/17/836920317.db2.gz ZHUVCTIJDJUNJB-OAHLLOKOSA-N 1 1 346.431 0.738 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001267180267 836928825 /nfs/dbraw/zinc/92/88/25/836928825.db2.gz YAFQESOXTNOSGE-GFCCVEGCSA-N 1 1 348.403 0.894 20 30 ECEDMO CC#CCCCC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC001267210732 836997963 /nfs/dbraw/zinc/99/79/63/836997963.db2.gz JZPHMKWFQDSODS-CQSZACIVSA-N 1 1 338.452 0.851 20 30 ECEDMO CC#CCCCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC001267210732 836997966 /nfs/dbraw/zinc/99/79/66/836997966.db2.gz JZPHMKWFQDSODS-CQSZACIVSA-N 1 1 338.452 0.851 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC001267212782 837002318 /nfs/dbraw/zinc/00/23/18/837002318.db2.gz SVZAPPWGUMBGQE-GFCCVEGCSA-N 1 1 326.441 0.869 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC001267212782 837002328 /nfs/dbraw/zinc/00/23/28/837002328.db2.gz SVZAPPWGUMBGQE-GFCCVEGCSA-N 1 1 326.441 0.869 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc2cccnn21 ZINC001267221111 837012164 /nfs/dbraw/zinc/01/21/64/837012164.db2.gz TVHZQEMSFYWQEC-ZDUSSCGKSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2cccnn21 ZINC001267221111 837012169 /nfs/dbraw/zinc/01/21/69/837012169.db2.gz TVHZQEMSFYWQEC-ZDUSSCGKSA-N 1 1 329.404 0.687 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(OC)c(OC)c1 ZINC001267230149 837033703 /nfs/dbraw/zinc/03/37/03/837033703.db2.gz SDARGMWPJSAPKZ-CYBMUJFWSA-N 1 1 347.415 0.503 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(OC)c(OC)c1 ZINC001267230149 837033713 /nfs/dbraw/zinc/03/37/13/837033713.db2.gz SDARGMWPJSAPKZ-CYBMUJFWSA-N 1 1 347.415 0.503 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)C[C@@H]1C(=O)Nc2ccccc21 ZINC001267233894 837038966 /nfs/dbraw/zinc/03/89/66/837038966.db2.gz WNVBNRACVXSBEL-HNNXBMFYSA-N 1 1 329.400 0.810 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](OC)C1CCCCC1 ZINC001267234872 837041256 /nfs/dbraw/zinc/04/12/56/837041256.db2.gz RBBYUMSIAFNTJR-HOCLYGCPSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H](OC)C1CCCCC1 ZINC001267234872 837041264 /nfs/dbraw/zinc/04/12/64/837041264.db2.gz RBBYUMSIAFNTJR-HOCLYGCPSA-N 1 1 337.464 0.768 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)C[C@H]1CCCS(=O)(=O)C1 ZINC001267241230 837048988 /nfs/dbraw/zinc/04/89/88/837048988.db2.gz PGHWMPXKWWKXMP-OAHLLOKOSA-N 1 1 326.462 0.663 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)C[C@H]1CCCS(=O)(=O)C1 ZINC001267241230 837048999 /nfs/dbraw/zinc/04/89/99/837048999.db2.gz PGHWMPXKWWKXMP-OAHLLOKOSA-N 1 1 326.462 0.663 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)C1(CC)CCOCC1 ZINC001267253692 837074248 /nfs/dbraw/zinc/07/42/48/837074248.db2.gz QKLVYVSLYQMTJL-OAHLLOKOSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)C1(CC)CCOCC1 ZINC001267253692 837074256 /nfs/dbraw/zinc/07/42/56/837074256.db2.gz QKLVYVSLYQMTJL-OAHLLOKOSA-N 1 1 337.464 0.769 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC)CCCS(C)(=O)=O)nc1 ZINC001267255409 837077120 /nfs/dbraw/zinc/07/71/20/837077120.db2.gz GLWXXPQAZPNAEL-UHFFFAOYSA-N 1 1 337.445 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CC)CCCS(C)(=O)=O)nc1 ZINC001267255409 837077126 /nfs/dbraw/zinc/07/71/26/837077126.db2.gz GLWXXPQAZPNAEL-UHFFFAOYSA-N 1 1 337.445 0.549 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccnn1CCC ZINC001267267101 837105679 /nfs/dbraw/zinc/10/56/79/837105679.db2.gz LJASZFWOYZRAFR-CABCVRRESA-N 1 1 345.447 0.625 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccnn1CCC ZINC001267267101 837105686 /nfs/dbraw/zinc/10/56/86/837105686.db2.gz LJASZFWOYZRAFR-CABCVRRESA-N 1 1 345.447 0.625 20 30 ECEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001267269133 837107688 /nfs/dbraw/zinc/10/76/88/837107688.db2.gz KXVOKIVJMSBCNB-CQSZACIVSA-N 1 1 348.447 0.521 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001267276296 837120034 /nfs/dbraw/zinc/12/00/34/837120034.db2.gz PCHIIJZNOSJSRE-ZIAGYGMSSA-N 1 1 344.415 0.428 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001267276296 837120040 /nfs/dbraw/zinc/12/00/40/837120040.db2.gz PCHIIJZNOSJSRE-ZIAGYGMSSA-N 1 1 344.415 0.428 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cncnc1 ZINC001267276410 837120637 /nfs/dbraw/zinc/12/06/37/837120637.db2.gz MXZZZGPDHUIJLM-GOEBONIOSA-N 1 1 343.431 0.128 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1cncnc1 ZINC001267276410 837120645 /nfs/dbraw/zinc/12/06/45/837120645.db2.gz MXZZZGPDHUIJLM-GOEBONIOSA-N 1 1 343.431 0.128 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001267285899 837136941 /nfs/dbraw/zinc/13/69/41/837136941.db2.gz QJQUHWCCKMLPQY-ZIAGYGMSSA-N 1 1 331.420 0.527 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267287825 837138786 /nfs/dbraw/zinc/13/87/86/837138786.db2.gz LCVOLUBACMIHMA-OLZOCXBDSA-N 1 1 336.436 0.767 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001267292897 837146142 /nfs/dbraw/zinc/14/61/42/837146142.db2.gz HYWIABDAXYOIGJ-HOCLYGCPSA-N 1 1 335.448 0.379 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001267293220 837146582 /nfs/dbraw/zinc/14/65/82/837146582.db2.gz OHTPLGCNQMOZQI-HOTGVXAUSA-N 1 1 349.475 0.769 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001267295426 837149645 /nfs/dbraw/zinc/14/96/45/837149645.db2.gz WGEBURGAJNITHI-NWDGAFQWSA-N 1 1 328.363 0.500 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001267295426 837149651 /nfs/dbraw/zinc/14/96/51/837149651.db2.gz WGEBURGAJNITHI-NWDGAFQWSA-N 1 1 328.363 0.500 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cncc(OC)n2)C1 ZINC001267302025 837167526 /nfs/dbraw/zinc/16/75/26/837167526.db2.gz AGQHWUCEQCGFPG-CHWSQXEVSA-N 1 1 347.419 0.228 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnn3ccccc23)C1 ZINC001267305945 837176271 /nfs/dbraw/zinc/17/62/71/837176271.db2.gz TXVDRHHYLWEJIY-CQSZACIVSA-N 1 1 339.399 0.135 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(CC)n(C)n2)C1 ZINC001267308504 837182508 /nfs/dbraw/zinc/18/25/08/837182508.db2.gz AEWMIECNEGSMRC-ZIAGYGMSSA-N 1 1 347.463 0.725 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1cc(C)c(C)cn1)CC(=O)NCC#N ZINC001267314656 837191150 /nfs/dbraw/zinc/19/11/50/837191150.db2.gz MWKXTMZHMDUSLV-UHFFFAOYSA-N 1 1 331.420 0.780 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1cc(C)c(C)cn1)CC(=O)NCC#N ZINC001267314656 837191153 /nfs/dbraw/zinc/19/11/53/837191153.db2.gz MWKXTMZHMDUSLV-UHFFFAOYSA-N 1 1 331.420 0.780 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCC)CCNC(=O)[C@@]2(F)CCOC2)C1=O ZINC001267317010 837193813 /nfs/dbraw/zinc/19/38/13/837193813.db2.gz LDNIMCCGKOCKIU-RHSMWYFYSA-N 1 1 341.427 0.730 20 30 ECEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(C)C ZINC001267319451 837196300 /nfs/dbraw/zinc/19/63/00/837196300.db2.gz OMJRIDJYEKTFIQ-QWHCGFSZSA-N 1 1 331.844 0.989 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1ccc(F)s1)CC(=O)NCC#N ZINC001267320219 837197878 /nfs/dbraw/zinc/19/78/78/837197878.db2.gz BEBUUNPZFKFNNZ-UHFFFAOYSA-N 1 1 326.397 0.969 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1ccc(F)s1)CC(=O)NCC#N ZINC001267320219 837197882 /nfs/dbraw/zinc/19/78/82/837197882.db2.gz BEBUUNPZFKFNNZ-UHFFFAOYSA-N 1 1 326.397 0.969 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCNC(=O)c2ccc(C)nn2)C2CC2)C1=O ZINC001267325090 837201471 /nfs/dbraw/zinc/20/14/71/837201471.db2.gz BXSDNJHJCOLPCT-INIZCTEOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCNC(=O)c2ccc(C)nn2)C2CC2)C1=O ZINC001267325090 837201481 /nfs/dbraw/zinc/20/14/81/837201481.db2.gz BXSDNJHJCOLPCT-INIZCTEOSA-N 1 1 343.431 0.766 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+](CCNC(=O)C#CC(C)(C)C)C2CC2)CCO1 ZINC001267326425 837203801 /nfs/dbraw/zinc/20/38/01/837203801.db2.gz VQZCRDJFMIUSOU-HNNXBMFYSA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+](CCNC(=O)C#CC(C)(C)C)C2CC2)CCO1 ZINC001267326425 837203806 /nfs/dbraw/zinc/20/38/06/837203806.db2.gz VQZCRDJFMIUSOU-HNNXBMFYSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCNC(=O)c2cnc[nH]c2=O)C2CC2)C1=O ZINC001267327339 837207280 /nfs/dbraw/zinc/20/72/80/837207280.db2.gz KBBISNMQGXCYCH-AWEZNQCLSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCNC(=O)c2cnc[nH]c2=O)C2CC2)C1=O ZINC001267327339 837207284 /nfs/dbraw/zinc/20/72/84/837207284.db2.gz KBBISNMQGXCYCH-AWEZNQCLSA-N 1 1 345.403 0.163 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CCO[C@H]1CC)C1CC1 ZINC001267329944 837210982 /nfs/dbraw/zinc/21/09/82/837210982.db2.gz VAYAXXZQKPIMQG-BMFZPTHFSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CCO[C@H]1CC)C1CC1 ZINC001267329944 837210986 /nfs/dbraw/zinc/21/09/86/837210986.db2.gz VAYAXXZQKPIMQG-BMFZPTHFSA-N 1 1 335.448 0.520 20 30 ECEDMO CC(C)c1cc(C(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)on1 ZINC001267333952 837216272 /nfs/dbraw/zinc/21/62/72/837216272.db2.gz RNQCYRGIJZJKBD-UHFFFAOYSA-N 1 1 333.392 0.632 20 30 ECEDMO CC(C)c1cc(C(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)on1 ZINC001267333952 837216280 /nfs/dbraw/zinc/21/62/80/837216280.db2.gz RNQCYRGIJZJKBD-UHFFFAOYSA-N 1 1 333.392 0.632 20 30 ECEDMO Cn1cnc(C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)c2ccccc2)c1 ZINC001267356178 837244192 /nfs/dbraw/zinc/24/41/92/837244192.db2.gz BZVZIEDMIWHJHY-AWEZNQCLSA-N 1 1 340.387 0.121 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]([NH2+][C@@H](C)C(N)=O)c2ccccc2)nc1 ZINC001267376765 837289741 /nfs/dbraw/zinc/28/97/41/837289741.db2.gz IWVZINWUIAPMHR-SUMWQHHRSA-N 1 1 336.395 0.997 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc(C)cn2)C1 ZINC001267578634 837835523 /nfs/dbraw/zinc/83/55/23/837835523.db2.gz OFZSKOHTDRDXHQ-JKSUJKDBSA-N 1 1 347.463 0.663 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC001267581190 837843190 /nfs/dbraw/zinc/84/31/90/837843190.db2.gz KSQKRKAOVISXDS-ZDUSSCGKSA-N 1 1 332.379 0.364 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001267582462 837846599 /nfs/dbraw/zinc/84/65/99/837846599.db2.gz IUBUNHHHAKIJCL-KBPBESRZSA-N 1 1 331.482 0.671 20 30 ECEDMO C#CCNC(=O)CN(C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267585774 837861486 /nfs/dbraw/zinc/86/14/86/837861486.db2.gz CEMSTMCDXYORBS-MRXNPFEDSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC001267591779 837883698 /nfs/dbraw/zinc/88/36/98/837883698.db2.gz JAWYNQZWLDLBGP-CABCVRRESA-N 1 1 331.416 0.740 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cccc2)C1 ZINC001267593895 837893717 /nfs/dbraw/zinc/89/37/17/837893717.db2.gz VCISAEZKDZLJDP-IAGOWNOFSA-N 1 1 344.459 0.969 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001267594226 837894338 /nfs/dbraw/zinc/89/43/38/837894338.db2.gz BKCMPLRTCPNSSZ-AWEZNQCLSA-N 1 1 328.416 0.906 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001267596119 837899690 /nfs/dbraw/zinc/89/96/90/837899690.db2.gz WUQQPMYGMJZZIK-JKSUJKDBSA-N 1 1 342.443 0.763 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001267597559 837904172 /nfs/dbraw/zinc/90/41/72/837904172.db2.gz YCAYVGQJEONQAQ-ZIAGYGMSSA-N 1 1 329.466 0.425 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](CCNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001267602327 837926846 /nfs/dbraw/zinc/92/68/46/837926846.db2.gz ZMPACSYVFMGSHD-HNNXBMFYSA-N 1 1 343.493 0.121 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCC[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001267605079 837939679 /nfs/dbraw/zinc/93/96/79/837939679.db2.gz KYROMPGKNGVQMA-UONOGXRCSA-N 1 1 340.468 0.459 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)C(=O)Nc2ccccc2)CC1 ZINC001267608711 837959337 /nfs/dbraw/zinc/95/93/37/837959337.db2.gz AGIRGDOSQQLDPE-UHFFFAOYSA-N 1 1 342.443 0.724 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC(=O)N2C(C)C)CC1 ZINC001267608879 837964682 /nfs/dbraw/zinc/96/46/82/837964682.db2.gz FZQZBTUXMPQGQK-KRWDZBQOSA-N 1 1 348.491 0.485 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)COCC(F)F)C1 ZINC001267628670 838083010 /nfs/dbraw/zinc/08/30/10/838083010.db2.gz GBXNOONFSWZNLA-NEPJUHHUSA-N 1 1 333.379 0.539 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)COCC(F)F)C1 ZINC001267628670 838083016 /nfs/dbraw/zinc/08/30/16/838083016.db2.gz GBXNOONFSWZNLA-NEPJUHHUSA-N 1 1 333.379 0.539 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001267632690 838096653 /nfs/dbraw/zinc/09/66/53/838096653.db2.gz PHYUWBORHDFDLY-GXTWGEPZSA-N 1 1 331.420 0.250 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001267632690 838096659 /nfs/dbraw/zinc/09/66/59/838096659.db2.gz PHYUWBORHDFDLY-GXTWGEPZSA-N 1 1 331.420 0.250 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001267632690 838096667 /nfs/dbraw/zinc/09/66/67/838096667.db2.gz PHYUWBORHDFDLY-GXTWGEPZSA-N 1 1 331.420 0.250 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC001267639060 838117733 /nfs/dbraw/zinc/11/77/33/838117733.db2.gz XPILOWJKUGCVBT-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CC2CCOCC2)C1 ZINC001267639066 838117793 /nfs/dbraw/zinc/11/77/93/838117793.db2.gz XQTFNFQHJFZBJE-MRXNPFEDSA-N 1 1 337.464 0.886 20 30 ECEDMO CCO[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1)C(C)C ZINC001267645881 838131244 /nfs/dbraw/zinc/13/12/44/838131244.db2.gz HNOXODQIETZCOS-GDBMZVCRSA-N 1 1 338.452 0.468 20 30 ECEDMO CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001408728947 838150238 /nfs/dbraw/zinc/15/02/38/838150238.db2.gz QPPDJPPXIXHDDG-CYBMUJFWSA-N 1 1 331.420 0.806 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001267657884 838170283 /nfs/dbraw/zinc/17/02/83/838170283.db2.gz HJEIIQYRWPTLGP-PBHICJAKSA-N 1 1 325.412 0.927 20 30 ECEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267658301 838173798 /nfs/dbraw/zinc/17/37/98/838173798.db2.gz NIWWFQHJYKHFAV-UONOGXRCSA-N 1 1 333.436 0.903 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)ncn2C)C1 ZINC001267659200 838178335 /nfs/dbraw/zinc/17/83/35/838178335.db2.gz XAYWFFJVEZXOOC-HUUCEWRRSA-N 1 1 347.463 0.813 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(CC(=O)N(CC)CC)C1 ZINC001267682842 838243316 /nfs/dbraw/zinc/24/33/16/838243316.db2.gz OBWISCHQGPZZFB-INIZCTEOSA-N 1 1 334.464 0.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CC(=O)N(CC)CC)C1 ZINC001267682842 838243322 /nfs/dbraw/zinc/24/33/22/838243322.db2.gz OBWISCHQGPZZFB-INIZCTEOSA-N 1 1 334.464 0.000 20 30 ECEDMO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)C1 ZINC001267690026 838258859 /nfs/dbraw/zinc/25/88/59/838258859.db2.gz KTLVGDPJSDNEEF-WBVHZDCISA-N 1 1 337.464 0.577 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC(=O)N(C)C)C1 ZINC001267691429 838261772 /nfs/dbraw/zinc/26/17/72/838261772.db2.gz YIECIHQJBZGUGR-VYDXJSESSA-N 1 1 337.464 0.836 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCn2cc(C)cn2)C1 ZINC001267701589 838295567 /nfs/dbraw/zinc/29/55/67/838295567.db2.gz VMXYXIDYAORRFX-AWEZNQCLSA-N 1 1 333.436 0.320 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCC1=O ZINC001267704279 838304138 /nfs/dbraw/zinc/30/41/38/838304138.db2.gz LKFQWKQOLLOAAH-PMPSAXMXSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCC1=O ZINC001267704279 838304148 /nfs/dbraw/zinc/30/41/48/838304148.db2.gz LKFQWKQOLLOAAH-PMPSAXMXSA-N 1 1 335.448 0.875 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001267714737 838346111 /nfs/dbraw/zinc/34/61/11/838346111.db2.gz OZYKMSBVOHSGJB-GDBMZVCRSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C1 ZINC001267723933 838381795 /nfs/dbraw/zinc/38/17/95/838381795.db2.gz OKDYIJGUDYQWHM-ZFWWWQNUSA-N 1 1 335.404 0.791 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001267724110 838384288 /nfs/dbraw/zinc/38/42/88/838384288.db2.gz TUPIJOMMRGIQJF-AAEUAGOBSA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001267724110 838384293 /nfs/dbraw/zinc/38/42/93/838384293.db2.gz TUPIJOMMRGIQJF-AAEUAGOBSA-N 1 1 342.403 0.453 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cnnn2-c2ccccc2)C1 ZINC001267731189 838418571 /nfs/dbraw/zinc/41/85/71/838418571.db2.gz SGYDYGLUDLPZFW-HNNXBMFYSA-N 1 1 339.399 0.721 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cnnn2-c2ccccc2)C1 ZINC001267731189 838418576 /nfs/dbraw/zinc/41/85/76/838418576.db2.gz SGYDYGLUDLPZFW-HNNXBMFYSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001267737960 838435933 /nfs/dbraw/zinc/43/59/33/838435933.db2.gz KEHZXPSTSDIUCU-OAHLLOKOSA-N 1 1 333.436 0.535 20 30 ECEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001267737960 838435943 /nfs/dbraw/zinc/43/59/43/838435943.db2.gz KEHZXPSTSDIUCU-OAHLLOKOSA-N 1 1 333.436 0.535 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001267754663 838477939 /nfs/dbraw/zinc/47/79/39/838477939.db2.gz OADOSWIYGJMNCJ-MRXNPFEDSA-N 1 1 345.447 0.583 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001267757211 838481263 /nfs/dbraw/zinc/48/12/63/838481263.db2.gz TZVDNNVBYWLADQ-OAHLLOKOSA-N 1 1 331.420 0.757 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001267757211 838481267 /nfs/dbraw/zinc/48/12/67/838481267.db2.gz TZVDNNVBYWLADQ-OAHLLOKOSA-N 1 1 331.420 0.757 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CSC(C)C)C1 ZINC001267756755 838482580 /nfs/dbraw/zinc/48/25/80/838482580.db2.gz LRFLLTWJZFJRBL-KGLIPLIRSA-N 1 1 325.478 0.799 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CSC(C)C)C1 ZINC001267756755 838482583 /nfs/dbraw/zinc/48/25/83/838482583.db2.gz LRFLLTWJZFJRBL-KGLIPLIRSA-N 1 1 325.478 0.799 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267761957 838490974 /nfs/dbraw/zinc/49/09/74/838490974.db2.gz MGPGTGRJGRZDRD-JKSUJKDBSA-N 1 1 336.480 0.694 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cncc(CC)c2)C1 ZINC001267766338 838504162 /nfs/dbraw/zinc/50/41/62/838504162.db2.gz ADQMQNHURJSKDL-RHSMWYFYSA-N 1 1 342.443 0.928 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cncc(CC)c2)C1 ZINC001267766338 838504163 /nfs/dbraw/zinc/50/41/63/838504163.db2.gz ADQMQNHURJSKDL-RHSMWYFYSA-N 1 1 342.443 0.928 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001267768041 838507014 /nfs/dbraw/zinc/50/70/14/838507014.db2.gz LSFUHOJPXREYFK-JKSUJKDBSA-N 1 1 345.447 0.413 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001267768041 838507018 /nfs/dbraw/zinc/50/70/18/838507018.db2.gz LSFUHOJPXREYFK-JKSUJKDBSA-N 1 1 345.447 0.413 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001267770727 838518931 /nfs/dbraw/zinc/51/89/31/838518931.db2.gz QINHAIMCJWHMHP-QWHCGFSZSA-N 1 1 347.419 0.328 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001267770727 838518938 /nfs/dbraw/zinc/51/89/38/838518938.db2.gz QINHAIMCJWHMHP-QWHCGFSZSA-N 1 1 347.419 0.328 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267783264 838557270 /nfs/dbraw/zinc/55/72/70/838557270.db2.gz HIUWXGSHBUFZDN-IRXDYDNUSA-N 1 1 349.475 0.816 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267783264 838557274 /nfs/dbraw/zinc/55/72/74/838557274.db2.gz HIUWXGSHBUFZDN-IRXDYDNUSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001267789747 838570053 /nfs/dbraw/zinc/57/00/53/838570053.db2.gz ITWKLECJHFATOL-AWEZNQCLSA-N 1 1 337.420 0.165 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2[nH]c(C)nc2C)C1 ZINC001267791888 838572738 /nfs/dbraw/zinc/57/27/38/838572738.db2.gz YCWYXNJJUAMLGO-AWEZNQCLSA-N 1 1 333.436 0.865 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2[nH]c(C)nc2C)C1 ZINC001267791888 838572741 /nfs/dbraw/zinc/57/27/41/838572741.db2.gz YCWYXNJJUAMLGO-AWEZNQCLSA-N 1 1 333.436 0.865 20 30 ECEDMO CCN(C(=O)CCCCC(=O)NC)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267794575 838573319 /nfs/dbraw/zinc/57/33/19/838573319.db2.gz PHCGROGMFWHUFD-MRXNPFEDSA-N 1 1 337.464 0.865 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC2(CC[N@H+](CC(=O)NCC)C2)CC1 ZINC001267973209 838904664 /nfs/dbraw/zinc/90/46/64/838904664.db2.gz IFXFVPGNGKJXEF-KRWDZBQOSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC2(CC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001267973610 838906272 /nfs/dbraw/zinc/90/62/72/838906272.db2.gz VLBUDSVBOFOKRU-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC001268025514 839022320 /nfs/dbraw/zinc/02/23/20/839022320.db2.gz IPQDEIXTRHNIKB-MRXNPFEDSA-N 1 1 349.406 0.835 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC001268025514 839022333 /nfs/dbraw/zinc/02/23/33/839022333.db2.gz IPQDEIXTRHNIKB-MRXNPFEDSA-N 1 1 349.406 0.835 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCOC1)CC2 ZINC001268043676 839195289 /nfs/dbraw/zinc/19/52/89/839195289.db2.gz LRBRNTKEGNURBW-MRXNPFEDSA-N 1 1 347.459 0.477 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cc1cnc(C)o1)CC2 ZINC001268044573 839201990 /nfs/dbraw/zinc/20/19/90/839201990.db2.gz GJVPMOWEGYHYHU-UHFFFAOYSA-N 1 1 344.415 0.199 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001077910459 781927620 /nfs/dbraw/zinc/92/76/20/781927620.db2.gz VVBNWSKDHBVSDX-ZIAGYGMSSA-N 1 1 330.413 0.936 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001077910459 781927629 /nfs/dbraw/zinc/92/76/29/781927629.db2.gz VVBNWSKDHBVSDX-ZIAGYGMSSA-N 1 1 330.413 0.936 20 30 ECEDMO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329678159 291002298 /nfs/dbraw/zinc/00/22/98/291002298.db2.gz VLWJQCXJOIPFLT-BFHYXJOUSA-N 1 1 329.466 0.894 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000321731886 201075064 /nfs/dbraw/zinc/07/50/64/201075064.db2.gz ZTXWYWKKBCHONG-JKSUJKDBSA-N 1 1 335.429 0.841 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000265531377 201216282 /nfs/dbraw/zinc/21/62/82/201216282.db2.gz IFFNCQKTEKYEHD-HNNXBMFYSA-N 1 1 342.399 0.062 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1=O ZINC000266372054 201219163 /nfs/dbraw/zinc/21/91/63/201219163.db2.gz RSVQTXJUXAXYAG-YHWZYXNKSA-N 1 1 348.403 0.095 20 30 ECEDMO C=CC[NH+](CC=C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000265095043 201208454 /nfs/dbraw/zinc/20/84/54/201208454.db2.gz BRVZHHSTIAVZSY-UHFFFAOYSA-N 1 1 331.482 0.837 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275401713 201282279 /nfs/dbraw/zinc/28/22/79/201282279.db2.gz RRCPWQPLRNKQKO-CVEARBPZSA-N 1 1 342.399 0.125 20 30 ECEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](CCO)CCCO ZINC000109798821 204293088 /nfs/dbraw/zinc/29/30/88/204293088.db2.gz FLEQWBRZJNNLTB-UHFFFAOYSA-N 1 1 343.387 0.359 20 30 ECEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](CCO)CCCO ZINC000109798821 204293093 /nfs/dbraw/zinc/29/30/93/204293093.db2.gz FLEQWBRZJNNLTB-UHFFFAOYSA-N 1 1 343.387 0.359 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC001041676760 781969713 /nfs/dbraw/zinc/96/97/13/781969713.db2.gz ZMDONJUVFMBYKE-FCEWJHQRSA-N 1 1 347.459 0.570 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1C#N ZINC000174957056 207078115 /nfs/dbraw/zinc/07/81/15/207078115.db2.gz RDQYGVDEBAKSLT-CYBMUJFWSA-N 1 1 344.415 0.890 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000177118542 207297034 /nfs/dbraw/zinc/29/70/34/207297034.db2.gz RLZAELSMJWAPCB-UHFFFAOYSA-N 1 1 342.399 0.820 20 30 ECEDMO COC[C@@H](C(N)=O)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411807958 208150173 /nfs/dbraw/zinc/15/01/73/208150173.db2.gz XQTQLEDBTWMEPB-ZDUSSCGKSA-N 1 1 338.795 0.972 20 30 ECEDMO COC[C@@H](C(N)=O)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411807958 208150180 /nfs/dbraw/zinc/15/01/80/208150180.db2.gz XQTQLEDBTWMEPB-ZDUSSCGKSA-N 1 1 338.795 0.972 20 30 ECEDMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428779263 210282680 /nfs/dbraw/zinc/28/26/80/210282680.db2.gz CPKYJWVVZXCFJV-AWEZNQCLSA-N 1 1 338.433 0.688 20 30 ECEDMO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000330660526 254641108 /nfs/dbraw/zinc/64/11/08/254641108.db2.gz YMXXGHOLPUPQAR-ILXRZTDVSA-N 1 1 340.468 0.858 20 30 ECEDMO CC(C)C[C@H](CNC(=O)N[C@H]1CC(=O)N(C)C1)[NH+]1CCOCC1 ZINC000331022572 254647900 /nfs/dbraw/zinc/64/79/00/254647900.db2.gz QLQLQJCHZXWVFF-UONOGXRCSA-N 1 1 326.441 0.468 20 30 ECEDMO N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000377936085 254759202 /nfs/dbraw/zinc/75/92/02/254759202.db2.gz HALDWNHFGYBGAS-OAHLLOKOSA-N 1 1 331.420 0.835 20 30 ECEDMO COC(=O)[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@H+](C)C1 ZINC000416581571 254771282 /nfs/dbraw/zinc/77/12/82/254771282.db2.gz JPMKOMWKVJAUSJ-CYBMUJFWSA-N 1 1 343.449 0.437 20 30 ECEDMO COC(=O)[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@@H+](C)C1 ZINC000416581571 254771284 /nfs/dbraw/zinc/77/12/84/254771284.db2.gz JPMKOMWKVJAUSJ-CYBMUJFWSA-N 1 1 343.449 0.437 20 30 ECEDMO C#CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491535695 254919517 /nfs/dbraw/zinc/91/95/17/254919517.db2.gz DZJGESCIOITJHG-UONOGXRCSA-N 1 1 329.466 0.547 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000491732494 254930929 /nfs/dbraw/zinc/93/09/29/254930929.db2.gz BSYBPAQVTCNHDJ-MRXNPFEDSA-N 1 1 347.463 0.127 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC3(COC(=O)N3)CC2)c1 ZINC000495292436 255002178 /nfs/dbraw/zinc/00/21/78/255002178.db2.gz UKXNGVVHSYWJAQ-UHFFFAOYSA-N 1 1 328.372 0.749 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000495732642 255037204 /nfs/dbraw/zinc/03/72/04/255037204.db2.gz VQNROVHJPVBQPU-LLVKDONJSA-N 1 1 326.397 0.549 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001077941523 781980810 /nfs/dbraw/zinc/98/08/10/781980810.db2.gz UDWSATZQLOWQDS-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO CC[N@@H+](CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C1CC1 ZINC000246223510 165127325 /nfs/dbraw/zinc/12/73/25/165127325.db2.gz DPVVCHHACLGRMU-CYBMUJFWSA-N 1 1 328.420 0.870 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001077961211 782019694 /nfs/dbraw/zinc/01/96/94/782019694.db2.gz CELNEWJKPBJAOM-RRFJBIMHSA-N 1 1 344.477 0.329 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001077961211 782019705 /nfs/dbraw/zinc/01/97/05/782019705.db2.gz CELNEWJKPBJAOM-RRFJBIMHSA-N 1 1 344.477 0.329 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)C#CC2CC2)C1 ZINC001077963587 782025257 /nfs/dbraw/zinc/02/52/57/782025257.db2.gz XXBFVDIEIZAACD-HOCLYGCPSA-N 1 1 335.448 0.520 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@H](O)COCC(C)C)CC2)c1C#N ZINC000349915206 269927574 /nfs/dbraw/zinc/92/75/74/269927574.db2.gz UQWAAWVXAKKRHC-HNNXBMFYSA-N 1 1 335.452 0.756 20 30 ECEDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283830211 264155713 /nfs/dbraw/zinc/15/57/13/264155713.db2.gz DVEARDZOVRBNKL-CJNGLKHVSA-N 1 1 328.416 0.973 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000284023800 264182125 /nfs/dbraw/zinc/18/21/25/264182125.db2.gz OJAUOQOCJABPAJ-OAHLLOKOSA-N 1 1 330.388 0.011 20 30 ECEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000284039007 264183684 /nfs/dbraw/zinc/18/36/84/264183684.db2.gz PINYKBQQFUSBED-MRXNPFEDSA-N 1 1 328.416 0.975 20 30 ECEDMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)[C@H]2C1 ZINC000285072187 264275624 /nfs/dbraw/zinc/27/56/24/264275624.db2.gz ORUYGPKLOKPPRV-LSDHHAIUSA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)[C@H]2C1 ZINC000285072187 264275627 /nfs/dbraw/zinc/27/56/27/264275627.db2.gz ORUYGPKLOKPPRV-LSDHHAIUSA-N 1 1 339.392 0.791 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCN(c3nc4[nH][nH]cc-4c(=N)n3)CC2)cc1 ZINC000354510652 270006799 /nfs/dbraw/zinc/00/67/99/270006799.db2.gz PPTOWXOWALYVHY-UHFFFAOYSA-N 1 1 334.387 0.911 20 30 ECEDMO CCN1C(=O)[C@@H]2C[N@@H+](C[C@H](O)c3ccc(C#N)cc3)CCN2C1=O ZINC000363826582 266141716 /nfs/dbraw/zinc/14/17/16/266141716.db2.gz VYSBJBWTONNSNE-GJZGRUSLSA-N 1 1 328.372 0.560 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000366455611 266153013 /nfs/dbraw/zinc/15/30/13/266153013.db2.gz SEHNAKKQNNIOQW-AWEZNQCLSA-N 1 1 326.360 0.798 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000366455611 266153017 /nfs/dbraw/zinc/15/30/17/266153017.db2.gz SEHNAKKQNNIOQW-AWEZNQCLSA-N 1 1 326.360 0.798 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000356075004 266153836 /nfs/dbraw/zinc/15/38/36/266153836.db2.gz HLOKAGOVZTVSOZ-OAHLLOKOSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000356075004 266153840 /nfs/dbraw/zinc/15/38/40/266153840.db2.gz HLOKAGOVZTVSOZ-OAHLLOKOSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CC[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000334127413 266155925 /nfs/dbraw/zinc/15/59/25/266155925.db2.gz QOCCASMTBRGSFB-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000343603551 267204425 /nfs/dbraw/zinc/20/44/25/267204425.db2.gz CTRXTYVXCKOCBY-KSSFIOAISA-N 1 1 347.415 0.525 20 30 ECEDMO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000332485855 267242642 /nfs/dbraw/zinc/24/26/42/267242642.db2.gz XVYIEPKXSLTHSN-GXTWGEPZSA-N 1 1 327.388 0.977 20 30 ECEDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000332485855 267242644 /nfs/dbraw/zinc/24/26/44/267242644.db2.gz XVYIEPKXSLTHSN-GXTWGEPZSA-N 1 1 327.388 0.977 20 30 ECEDMO C[C@](O)(CNC(=O)NCCc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000342200369 267257702 /nfs/dbraw/zinc/25/77/02/267257702.db2.gz JBGBOURQNRXEQA-SFHVURJKSA-N 1 1 346.431 0.483 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)ccc1F ZINC000340983880 268005205 /nfs/dbraw/zinc/00/52/05/268005205.db2.gz ZLQYNJSEILCXEO-AWEZNQCLSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)ccc1F ZINC000340983880 268005206 /nfs/dbraw/zinc/00/52/06/268005206.db2.gz ZLQYNJSEILCXEO-AWEZNQCLSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1F ZINC000362932817 268005771 /nfs/dbraw/zinc/00/57/71/268005771.db2.gz RAYJKGUPFMRBHM-KGLIPLIRSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(CCC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000340953890 268060177 /nfs/dbraw/zinc/06/01/77/268060177.db2.gz LXPQRJSWHBDRJM-MRXNPFEDSA-N 1 1 328.416 0.947 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2=O)o1 ZINC000369972163 268075426 /nfs/dbraw/zinc/07/54/26/268075426.db2.gz DIDRKFMSBMJTBY-MRXNPFEDSA-N 1 1 332.404 0.564 20 30 ECEDMO Cn1cc(N2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)cn1 ZINC000528392389 268129666 /nfs/dbraw/zinc/12/96/66/268129666.db2.gz CDULZZADRTXAKH-QGZVFWFLSA-N 1 1 341.415 0.854 20 30 ECEDMO N#Cc1cccc(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531391954 268274785 /nfs/dbraw/zinc/27/47/85/268274785.db2.gz QAIKBQVLJCHITB-MRXNPFEDSA-N 1 1 328.416 0.804 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000289504317 268313985 /nfs/dbraw/zinc/31/39/85/268313985.db2.gz QGZNJFVDPVYQCW-AWEZNQCLSA-N 1 1 338.433 0.468 20 30 ECEDMO N#Cc1cnn2cc(CNCCC[N@H+]3CCC[C@H]3C(N)=O)cnc12 ZINC000515343150 268318426 /nfs/dbraw/zinc/31/84/26/268318426.db2.gz AXVBMQWTTBXXLI-AWEZNQCLSA-N 1 1 327.392 0.030 20 30 ECEDMO N#Cc1cnn2cc(CNCCC[N@@H+]3CCC[C@H]3C(N)=O)cnc12 ZINC000515343150 268318427 /nfs/dbraw/zinc/31/84/27/268318427.db2.gz AXVBMQWTTBXXLI-AWEZNQCLSA-N 1 1 327.392 0.030 20 30 ECEDMO CCN(CC)S(=O)(=O)CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000330709680 437594636 /nfs/dbraw/zinc/59/46/36/437594636.db2.gz ORBIHMOFWUPSEU-UONOGXRCSA-N 1 1 346.497 0.598 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000299340176 276776865 /nfs/dbraw/zinc/77/68/65/276776865.db2.gz QUCASFPOTRCHKM-OAGGEKHMSA-N 1 1 345.443 0.718 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncn4nccc4c3=O)C2)C1 ZINC001041720468 782050425 /nfs/dbraw/zinc/05/04/25/782050425.db2.gz POICHOPVIBVQAR-KRWDZBQOSA-N 1 1 342.403 0.001 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCCS(=O)(=O)C2)[N@H+](C)C1 ZINC000329181661 277347538 /nfs/dbraw/zinc/34/75/38/277347538.db2.gz NMNFOOPFKBKFCV-AVGNSLFASA-N 1 1 333.454 0.129 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCCS(=O)(=O)C2)[N@@H+](C)C1 ZINC000329181661 277347539 /nfs/dbraw/zinc/34/75/39/277347539.db2.gz NMNFOOPFKBKFCV-AVGNSLFASA-N 1 1 333.454 0.129 20 30 ECEDMO COC(=O)c1cc(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)oc1C ZINC000330712554 437597780 /nfs/dbraw/zinc/59/77/80/437597780.db2.gz AXFWQWMYUIQQTL-LBPRGKRZSA-N 1 1 338.408 0.624 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)S(C)(=O)=O)C2)C1 ZINC001041720960 782051085 /nfs/dbraw/zinc/05/10/85/782051085.db2.gz YWVJIBCNWGRHCB-INIZCTEOSA-N 1 1 326.462 0.757 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000453726182 280315066 /nfs/dbraw/zinc/31/50/66/280315066.db2.gz RJZMIBFXIFNSMZ-UONOGXRCSA-N 1 1 344.415 0.719 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000453726182 280315067 /nfs/dbraw/zinc/31/50/67/280315067.db2.gz RJZMIBFXIFNSMZ-UONOGXRCSA-N 1 1 344.415 0.719 20 30 ECEDMO N#Cc1ccccc1OCC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000076460235 436207578 /nfs/dbraw/zinc/20/75/78/436207578.db2.gz DRMVRJRVSSCVTN-HNNXBMFYSA-N 1 1 344.415 0.641 20 30 ECEDMO Cc1nnc(N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)c(C#N)c1C ZINC000076924410 436217887 /nfs/dbraw/zinc/21/78/87/436217887.db2.gz XSSKEUCHKDNMAB-OAHLLOKOSA-N 1 1 342.447 0.956 20 30 ECEDMO CCC[N@@H+](CCO)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000076951601 436221553 /nfs/dbraw/zinc/22/15/53/436221553.db2.gz CLSGDBFETISHGV-UHFFFAOYSA-N 1 1 335.408 0.208 20 30 ECEDMO Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCOC[C@H]2C#N)CC1 ZINC000081214505 436340674 /nfs/dbraw/zinc/34/06/74/436340674.db2.gz KQIQHTHNKJTSOG-GOSISDBHSA-N 1 1 342.443 0.864 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000047983517 436436245 /nfs/dbraw/zinc/43/62/45/436436245.db2.gz ATRRDGQCLRHZHA-JSGCOSHPSA-N 1 1 336.436 0.625 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)CC1 ZINC000091080715 436441116 /nfs/dbraw/zinc/44/11/16/436441116.db2.gz KUJXYJQEWGGSBO-MRXNPFEDSA-N 1 1 329.448 0.941 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000091227461 436446214 /nfs/dbraw/zinc/44/62/14/436446214.db2.gz OEFXDNIXMDOZPN-GZBFAFLISA-N 1 1 339.461 0.444 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000091227461 436446217 /nfs/dbraw/zinc/44/62/17/436446217.db2.gz OEFXDNIXMDOZPN-GZBFAFLISA-N 1 1 339.461 0.444 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H](C)O)CC1 ZINC000091558670 436452162 /nfs/dbraw/zinc/45/21/62/436452162.db2.gz VWNCBOKFBQERNH-ZACQAIPSSA-N 1 1 336.480 0.914 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H](C)O)C2)CC1 ZINC000091632301 436456452 /nfs/dbraw/zinc/45/64/52/436456452.db2.gz UQNNRIUXWFVEKL-IKGGRYGDSA-N 1 1 336.480 0.772 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000047258451 436414763 /nfs/dbraw/zinc/41/47/63/436414763.db2.gz CDXYNDQDJRTAFV-UHFFFAOYSA-N 1 1 332.408 0.416 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000092793915 436476014 /nfs/dbraw/zinc/47/60/14/436476014.db2.gz BYJPGZKCZHGNEY-UHFFFAOYSA-N 1 1 349.479 0.379 20 30 ECEDMO COc1ccc(CNC(=[NH2+])NC[C@@H](C)N2CCN(C)CC2)cc1OC ZINC000104182706 436556868 /nfs/dbraw/zinc/55/68/68/436556868.db2.gz KWMFNPMCVFTBIG-CQSZACIVSA-N 1 1 349.479 0.744 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000055209117 436568986 /nfs/dbraw/zinc/56/89/86/436568986.db2.gz DDLHZUZDGCZTJE-OAHLLOKOSA-N 1 1 349.456 0.812 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000106341157 436591899 /nfs/dbraw/zinc/59/18/99/436591899.db2.gz CTSNUAWSGFCUNK-CQSZACIVSA-N 1 1 329.466 0.855 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107300796 436609689 /nfs/dbraw/zinc/60/96/89/436609689.db2.gz IYENCZALTWTRDN-ZIAGYGMSSA-N 1 1 346.497 0.305 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107300796 436609692 /nfs/dbraw/zinc/60/96/92/436609692.db2.gz IYENCZALTWTRDN-ZIAGYGMSSA-N 1 1 346.497 0.305 20 30 ECEDMO N#Cc1cccc(CC(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000534662276 302112080 /nfs/dbraw/zinc/11/20/80/302112080.db2.gz NADBOEURNRYGHT-UHFFFAOYSA-N 1 1 344.459 0.607 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC([N@@H+](C)CCCO)CC1 ZINC000115547965 436647686 /nfs/dbraw/zinc/64/76/86/436647686.db2.gz WSZSPOQXDQWNMP-ZDUSSCGKSA-N 1 1 326.441 0.165 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000114558245 436642867 /nfs/dbraw/zinc/64/28/67/436642867.db2.gz NWBFGIMESFZYLI-SFHVURJKSA-N 1 1 341.459 0.470 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000547416986 302257548 /nfs/dbraw/zinc/25/75/48/302257548.db2.gz GIVRBWFNENPILB-UHFFFAOYSA-N 1 1 327.344 0.827 20 30 ECEDMO N#Cc1cnn2cc(CNCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cnc12 ZINC000552771331 302397397 /nfs/dbraw/zinc/39/73/97/302397397.db2.gz PPFQEUNECNPPPT-CQSZACIVSA-N 1 1 341.419 0.278 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195520698 436694019 /nfs/dbraw/zinc/69/40/19/436694019.db2.gz ILRUWQOHLFRIFH-STQMWFEESA-N 1 1 346.435 0.804 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195520698 436694021 /nfs/dbraw/zinc/69/40/21/436694021.db2.gz ILRUWQOHLFRIFH-STQMWFEESA-N 1 1 346.435 0.804 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ncc(C#N)cc2C)CC1 ZINC000555298819 302434117 /nfs/dbraw/zinc/43/41/17/302434117.db2.gz WPJXSCOFKOKXJF-UHFFFAOYSA-N 1 1 343.431 0.982 20 30 ECEDMO C#CC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CCCCC1 ZINC000065960890 436675750 /nfs/dbraw/zinc/67/57/50/436675750.db2.gz ZQZRTRAYUGQRDW-UHFFFAOYSA-N 1 1 332.404 0.117 20 30 ECEDMO C#CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CCCCC1 ZINC000065960890 436675753 /nfs/dbraw/zinc/67/57/53/436675753.db2.gz ZQZRTRAYUGQRDW-UHFFFAOYSA-N 1 1 332.404 0.117 20 30 ECEDMO Cc1ccn(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(=O)c1C#N ZINC000122017041 436731533 /nfs/dbraw/zinc/73/15/33/436731533.db2.gz QZLZBELNSCBOQS-OAHLLOKOSA-N 1 1 346.431 0.501 20 30 ECEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000068310544 436741775 /nfs/dbraw/zinc/74/17/75/436741775.db2.gz QHGBDNJDEHMAIC-MRXNPFEDSA-N 1 1 349.456 0.883 20 30 ECEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)N1CCOCC1 ZINC000068370492 436742371 /nfs/dbraw/zinc/74/23/71/436742371.db2.gz NJISWCLNBIDYIJ-UHFFFAOYSA-N 1 1 330.388 0.677 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCNC(=O)OCC(F)(F)F)CC1 ZINC000068444271 436744938 /nfs/dbraw/zinc/74/49/38/436744938.db2.gz FUVBTHWJWIMOSK-UHFFFAOYSA-N 1 1 335.326 0.833 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000124343785 436747635 /nfs/dbraw/zinc/74/76/35/436747635.db2.gz RLWNGQRHBYBSDT-HZMBPMFUSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000124343785 436747638 /nfs/dbraw/zinc/74/76/38/436747638.db2.gz RLWNGQRHBYBSDT-HZMBPMFUSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156722527 436818639 /nfs/dbraw/zinc/81/86/39/436818639.db2.gz LAODWYOOPAPKKW-TZMCWYRMSA-N 1 1 335.429 0.918 20 30 ECEDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156722527 436818642 /nfs/dbraw/zinc/81/86/42/436818642.db2.gz LAODWYOOPAPKKW-TZMCWYRMSA-N 1 1 335.429 0.918 20 30 ECEDMO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000246013599 436770406 /nfs/dbraw/zinc/77/04/06/436770406.db2.gz KQBCKMCKZJIUGS-LSDHHAIUSA-N 1 1 338.452 0.420 20 30 ECEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000246106931 436772176 /nfs/dbraw/zinc/77/21/76/436772176.db2.gz RHBPVTZVRRRTPB-KBPBESRZSA-N 1 1 346.435 0.972 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000246205212 436775102 /nfs/dbraw/zinc/77/51/02/436775102.db2.gz YFBOQCHRHFZQAE-JKSUJKDBSA-N 1 1 349.479 0.266 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000126683770 436790761 /nfs/dbraw/zinc/79/07/61/436790761.db2.gz NAKXDTSLPXSSEN-INIZCTEOSA-N 1 1 345.447 0.753 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000293209096 436857343 /nfs/dbraw/zinc/85/73/43/436857343.db2.gz BBLKKAAVHWXOBR-UHFFFAOYSA-N 1 1 342.399 0.215 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000293258851 436861162 /nfs/dbraw/zinc/86/11/62/436861162.db2.gz DXEGFOWMCFUQRE-UHFFFAOYSA-N 1 1 328.372 0.599 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000293326692 436866139 /nfs/dbraw/zinc/86/61/39/436866139.db2.gz CNZCUADMOZOBTG-UHFFFAOYSA-N 1 1 342.443 0.060 20 30 ECEDMO C#CCOCCC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000132787367 436870656 /nfs/dbraw/zinc/87/06/56/436870656.db2.gz YEKCURWJMTZNFE-UHFFFAOYSA-N 1 1 349.475 0.819 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](O)[C@@H](C)C3)CC2)o1 ZINC000249583866 436825264 /nfs/dbraw/zinc/82/52/64/436825264.db2.gz SEELODXXYZNVKJ-WFASDCNBSA-N 1 1 347.419 0.206 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCCC[N@H+](C)CC#C)c1 ZINC000293861706 436914260 /nfs/dbraw/zinc/91/42/60/436914260.db2.gz BHGBPDFNDVEYBB-UHFFFAOYSA-N 1 1 347.440 0.283 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000293908029 436917887 /nfs/dbraw/zinc/91/78/87/436917887.db2.gz FUEOLGNTYKESHV-LBPRGKRZSA-N 1 1 343.474 0.486 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000293908028 436918567 /nfs/dbraw/zinc/91/85/67/436918567.db2.gz FUEOLGNTYKESHV-GFCCVEGCSA-N 1 1 343.474 0.486 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000294034349 436928222 /nfs/dbraw/zinc/92/82/22/436928222.db2.gz RVXJZLYLVQCBNK-RDJZCZTQSA-N 1 1 328.416 0.672 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000293433141 436876967 /nfs/dbraw/zinc/87/69/67/436876967.db2.gz QYVMIPLWNTXKIE-CYBMUJFWSA-N 1 1 331.420 0.864 20 30 ECEDMO CC[NH+]=C(NC[C@@H]1CCCN1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261656265 436881368 /nfs/dbraw/zinc/88/13/68/436881368.db2.gz FLRUDBKXGFXSEG-AWEZNQCLSA-N 1 1 347.467 0.128 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000161309533 436887799 /nfs/dbraw/zinc/88/77/99/436887799.db2.gz MKHHVSILNFEDKU-ZDUSSCGKSA-N 1 1 333.436 0.736 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000293617604 436892988 /nfs/dbraw/zinc/89/29/88/436892988.db2.gz VYJBWSXYGQYWGU-UHFFFAOYSA-N 1 1 328.416 0.382 20 30 ECEDMO COCCOC[C@@H](O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000295003350 436961687 /nfs/dbraw/zinc/96/16/87/436961687.db2.gz RZIFMUCNLJFEQT-ZWKOTPCHSA-N 1 1 333.432 0.893 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000294073029 436932247 /nfs/dbraw/zinc/93/22/47/436932247.db2.gz VYTWNLFTXSXHBX-UHFFFAOYSA-N 1 1 346.387 0.786 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000275265503 436948732 /nfs/dbraw/zinc/94/87/32/436948732.db2.gz SCILHNLXBUHCPD-UONOGXRCSA-N 1 1 347.415 0.859 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000275265503 436948735 /nfs/dbraw/zinc/94/87/35/436948735.db2.gz SCILHNLXBUHCPD-UONOGXRCSA-N 1 1 347.415 0.859 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000294719525 436960567 /nfs/dbraw/zinc/96/05/67/436960567.db2.gz VOEOTTRNMROKII-UHFFFAOYSA-N 1 1 347.366 0.818 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@H](O)c1cc(OC)cc(OC)c1 ZINC000296730152 436998131 /nfs/dbraw/zinc/99/81/31/436998131.db2.gz CQWKAUSMHFCXEG-KRWDZBQOSA-N 1 1 349.431 0.992 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000264562349 437047569 /nfs/dbraw/zinc/04/75/69/437047569.db2.gz OSFKTSYTZFZBSP-AWEZNQCLSA-N 1 1 338.433 0.594 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(C[C@H](O)COc3ccc(C#N)cc3)[C@@H]2C1 ZINC000284752660 437071279 /nfs/dbraw/zinc/07/12/79/437071279.db2.gz FMLRRMFAGGJLNR-JQHSSLGASA-N 1 1 331.416 0.703 20 30 ECEDMO Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCC(=O)N1C ZINC000329189671 303095388 /nfs/dbraw/zinc/09/53/88/303095388.db2.gz PUSTVBZRNKRZID-OSAQELSMSA-N 1 1 335.408 0.369 20 30 ECEDMO Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC(=O)N1C ZINC000329189671 303095389 /nfs/dbraw/zinc/09/53/89/303095389.db2.gz PUSTVBZRNKRZID-OSAQELSMSA-N 1 1 335.408 0.369 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000286435567 437090349 /nfs/dbraw/zinc/09/03/49/437090349.db2.gz JBPNFLRTHGXCOC-UHFFFAOYSA-N 1 1 332.379 0.980 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000286409001 437090634 /nfs/dbraw/zinc/09/06/34/437090634.db2.gz FGTCXMGAKZUMGB-ZDUSSCGKSA-N 1 1 343.493 0.325 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000286409001 437090641 /nfs/dbraw/zinc/09/06/41/437090641.db2.gz FGTCXMGAKZUMGB-ZDUSSCGKSA-N 1 1 343.493 0.325 20 30 ECEDMO C[N@H+]1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1ccccc1 ZINC000286615362 437109526 /nfs/dbraw/zinc/10/95/26/437109526.db2.gz GCQAHRFLSLQMRG-HOCLYGCPSA-N 1 1 339.403 0.894 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000286750352 437127393 /nfs/dbraw/zinc/12/73/93/437127393.db2.gz GINVRVLUGCFGDP-GXTWGEPZSA-N 1 1 349.435 0.200 20 30 ECEDMO CN(C[C@@H]1CCCCO1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000328807928 437266880 /nfs/dbraw/zinc/26/68/80/437266880.db2.gz IJXHRKOQZHKKJG-AWEZNQCLSA-N 1 1 326.441 0.565 20 30 ECEDMO CCOC(=O)CON=C(C(=O)N[C@H](C)CC[NH+](C)C)c1ccn[nH]1 ZINC000277966918 437267790 /nfs/dbraw/zinc/26/77/90/437267790.db2.gz LDYOQTSEYWYLBZ-NUSFMGPTSA-N 1 1 339.396 0.150 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[N@H+](C3CC3)CC2)n1 ZINC000179618867 437269040 /nfs/dbraw/zinc/26/90/40/437269040.db2.gz HQJKHRKMGZPQHG-UHFFFAOYSA-N 1 1 344.419 0.971 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[N@@H+](C)C1 ZINC000332404073 437219335 /nfs/dbraw/zinc/21/93/35/437219335.db2.gz APSUIHNQCSYUPO-GJZGRUSLSA-N 1 1 329.404 0.321 20 30 ECEDMO Cc1cc(S(=O)(=O)N2CCC([N@@H+](C)CCO)CC2)ccc1C#N ZINC000277671852 437243877 /nfs/dbraw/zinc/24/38/77/437243877.db2.gz SWGWORWRVZFFBY-UHFFFAOYSA-N 1 1 337.445 0.944 20 30 ECEDMO CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000328674887 437251421 /nfs/dbraw/zinc/25/14/21/437251421.db2.gz KFAUHAWUNSTMSN-STQMWFEESA-N 1 1 344.481 0.398 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC(=O)N(C)[C@H](C)C2)C[C@@H](C)O1 ZINC000328727310 437257592 /nfs/dbraw/zinc/25/75/92/437257592.db2.gz VCDJZABUCNVJRX-MGPQQGTHSA-N 1 1 340.468 0.951 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000333087562 437258698 /nfs/dbraw/zinc/25/86/98/437258698.db2.gz NLZNZAGZCFZCQA-GVDBMIGSSA-N 1 1 333.480 0.315 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180953343 437305951 /nfs/dbraw/zinc/30/59/51/437305951.db2.gz SVYSGVBJTBAZOG-CQSZACIVSA-N 1 1 339.484 0.345 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000336916208 437309580 /nfs/dbraw/zinc/30/95/80/437309580.db2.gz NBPHIVSEWFJMSM-CQSZACIVSA-N 1 1 344.481 0.652 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000336916208 437309583 /nfs/dbraw/zinc/30/95/83/437309583.db2.gz NBPHIVSEWFJMSM-CQSZACIVSA-N 1 1 344.481 0.652 20 30 ECEDMO CN1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000329078246 437312482 /nfs/dbraw/zinc/31/24/82/437312482.db2.gz QJOZPABBLYHTHG-GZBFAFLISA-N 1 1 348.451 0.537 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000336929875 437313493 /nfs/dbraw/zinc/31/34/93/437313493.db2.gz AQBILIWLORUURW-CYBMUJFWSA-N 1 1 346.453 0.036 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000336929875 437313499 /nfs/dbraw/zinc/31/34/99/437313499.db2.gz AQBILIWLORUURW-CYBMUJFWSA-N 1 1 346.453 0.036 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000336953928 437318471 /nfs/dbraw/zinc/31/84/71/437318471.db2.gz XAULBAVCIFRHMY-STQMWFEESA-N 1 1 330.454 0.308 20 30 ECEDMO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000336870352 437299976 /nfs/dbraw/zinc/29/99/76/437299976.db2.gz IYXBQULKMPIAJQ-GJZGRUSLSA-N 1 1 338.429 0.664 20 30 ECEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000336870352 437299982 /nfs/dbraw/zinc/29/99/82/437299982.db2.gz IYXBQULKMPIAJQ-GJZGRUSLSA-N 1 1 338.429 0.664 20 30 ECEDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329364616 437357009 /nfs/dbraw/zinc/35/70/09/437357009.db2.gz GBMXWKCYVLXCNR-APIJFGDWSA-N 1 1 334.424 0.691 20 30 ECEDMO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1nnc2ccccn21 ZINC000329361281 437357774 /nfs/dbraw/zinc/35/77/74/437357774.db2.gz ILPWQFSBGXAZJS-QWHCGFSZSA-N 1 1 331.424 0.540 20 30 ECEDMO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329375063 437359910 /nfs/dbraw/zinc/35/99/10/437359910.db2.gz KPKPGHSFMSMZSN-AEGPPILISA-N 1 1 336.440 0.794 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000278997033 437362639 /nfs/dbraw/zinc/36/26/39/437362639.db2.gz CFDKDTJUNJOOMG-QGZVFWFLSA-N 1 1 344.371 0.620 20 30 ECEDMO CN(C(=O)CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)C1CCCCC1 ZINC000329423690 437367874 /nfs/dbraw/zinc/36/78/74/437367874.db2.gz HWXGLYUTQQEKQO-HNNXBMFYSA-N 1 1 339.484 0.527 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000337075237 437326947 /nfs/dbraw/zinc/32/69/47/437326947.db2.gz RLFKIESXKRWYCN-KBPBESRZSA-N 1 1 332.470 0.149 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000337075239 437327348 /nfs/dbraw/zinc/32/73/48/437327348.db2.gz RLFKIESXKRWYCN-UONOGXRCSA-N 1 1 332.470 0.149 20 30 ECEDMO CC(C)[C@@H]1C[C@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000329161577 437328080 /nfs/dbraw/zinc/32/80/80/437328080.db2.gz ZCOMPNVXHDMVBO-CABCVRRESA-N 1 1 340.468 0.858 20 30 ECEDMO CCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000329171259 437330769 /nfs/dbraw/zinc/33/07/69/437330769.db2.gz KMTSGNZVSUTLDB-GXTWGEPZSA-N 1 1 349.522 0.847 20 30 ECEDMO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000329185032 437332388 /nfs/dbraw/zinc/33/23/88/437332388.db2.gz OMRURTGNVNTXRM-DEQVHRJGSA-N 1 1 325.409 0.034 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329199730 437333267 /nfs/dbraw/zinc/33/32/67/437333267.db2.gz BCHGLXCFRBFBHB-ZIAGYGMSSA-N 1 1 329.466 0.829 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000337148781 437336348 /nfs/dbraw/zinc/33/63/48/437336348.db2.gz HLKLHTVHRNVZKA-AWEZNQCLSA-N 1 1 344.481 0.652 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CCS1(=O)=O ZINC000329732687 437408481 /nfs/dbraw/zinc/40/84/81/437408481.db2.gz JAUREZYUSQSHJE-DGCLKSJQSA-N 1 1 335.495 0.457 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000329797949 437414629 /nfs/dbraw/zinc/41/46/29/437414629.db2.gz GAICFVWVJFYBJN-MGPQQGTHSA-N 1 1 348.451 0.870 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000329797949 437414633 /nfs/dbraw/zinc/41/46/33/437414633.db2.gz GAICFVWVJFYBJN-MGPQQGTHSA-N 1 1 348.451 0.870 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000329797949 437414639 /nfs/dbraw/zinc/41/46/39/437414639.db2.gz GAICFVWVJFYBJN-MGPQQGTHSA-N 1 1 348.451 0.870 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000329797949 437414642 /nfs/dbraw/zinc/41/46/42/437414642.db2.gz GAICFVWVJFYBJN-MGPQQGTHSA-N 1 1 348.451 0.870 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000329797949 437414645 /nfs/dbraw/zinc/41/46/45/437414645.db2.gz GAICFVWVJFYBJN-MGPQQGTHSA-N 1 1 348.451 0.870 20 30 ECEDMO CNC(=O)N[C@H]1CC[N@@H+](CCc2c(C)nc3ccccn3c2=O)C1 ZINC000329796255 437414923 /nfs/dbraw/zinc/41/49/23/437414923.db2.gz WUTYEKUEITVKHW-ZDUSSCGKSA-N 1 1 329.404 0.753 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)N(S(C)(=O)=O)C1 ZINC000329887453 437425590 /nfs/dbraw/zinc/42/55/90/437425590.db2.gz XLGNTEGPEQQYDO-RFQIPJPRSA-N 1 1 345.465 0.619 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000329888816 437425815 /nfs/dbraw/zinc/42/58/15/437425815.db2.gz ZLUAXXSBQYENGJ-QLFBSQMISA-N 1 1 326.485 0.875 20 30 ECEDMO C[C@H](CNC(=O)N1CCO[C@@]2(CCOC2)C1)C[NH+]1CCOCC1 ZINC000329902749 437428809 /nfs/dbraw/zinc/42/88/09/437428809.db2.gz PPZVCOBRFWQIDE-ZBFHGGJFSA-N 1 1 327.425 0.360 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)C[C@@H]1C ZINC000329519869 437377693 /nfs/dbraw/zinc/37/76/93/437377693.db2.gz QEMDJLYEOOLXDU-ZQDZILKHSA-N 1 1 336.440 0.937 20 30 ECEDMO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@@H]1C ZINC000329519869 437377697 /nfs/dbraw/zinc/37/76/97/437377697.db2.gz QEMDJLYEOOLXDU-ZQDZILKHSA-N 1 1 336.440 0.937 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@@H]1C ZINC000329519869 437377703 /nfs/dbraw/zinc/37/77/03/437377703.db2.gz QEMDJLYEOOLXDU-ZQDZILKHSA-N 1 1 336.440 0.937 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000337766102 437378255 /nfs/dbraw/zinc/37/82/55/437378255.db2.gz MSSPLMPJAVBILQ-KGLIPLIRSA-N 1 1 344.481 0.650 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000337766102 437378259 /nfs/dbraw/zinc/37/82/59/437378259.db2.gz MSSPLMPJAVBILQ-KGLIPLIRSA-N 1 1 344.481 0.650 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1COCCO1 ZINC000330272935 437478212 /nfs/dbraw/zinc/47/82/12/437478212.db2.gz YJXTUHMOCCTEFL-UKRRQHHQSA-N 1 1 327.425 0.501 20 30 ECEDMO CN1CCO[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000329949554 437436530 /nfs/dbraw/zinc/43/65/30/437436530.db2.gz HLFBZBPUIXYCGF-GVDBMIGSSA-N 1 1 326.400 0.678 20 30 ECEDMO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)n1 ZINC000329968334 437439673 /nfs/dbraw/zinc/43/96/73/437439673.db2.gz WQAMZXNWJJECHA-KQURDKLPSA-N 1 1 335.408 0.882 20 30 ECEDMO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC000329979117 437440788 /nfs/dbraw/zinc/44/07/88/437440788.db2.gz IYZSTGFARBLLSV-SOUVJXGZSA-N 1 1 339.415 0.620 20 30 ECEDMO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000329979117 437440792 /nfs/dbraw/zinc/44/07/92/437440792.db2.gz IYZSTGFARBLLSV-SOUVJXGZSA-N 1 1 339.415 0.620 20 30 ECEDMO CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000339154977 437444361 /nfs/dbraw/zinc/44/43/61/437444361.db2.gz ARUIRIQDOBKJLO-QGZVFWFLSA-N 1 1 328.416 0.975 20 30 ECEDMO Cc1sc(=O)n(CC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1C ZINC000330117756 437457621 /nfs/dbraw/zinc/45/76/21/437457621.db2.gz XLBPVEKMKBKFPM-OAHLLOKOSA-N 1 1 343.449 0.566 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1 ZINC000330140907 437460360 /nfs/dbraw/zinc/46/03/60/437460360.db2.gz XGUZWABRIODCPN-CYBMUJFWSA-N 1 1 337.424 0.258 20 30 ECEDMO CC[C@@H]1CN(C(=O)NCc2nnc3n2CCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000330163016 437463084 /nfs/dbraw/zinc/46/30/84/437463084.db2.gz AQQWWIFVECRHTM-KGLIPLIRSA-N 1 1 348.451 0.681 20 30 ECEDMO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000330192725 437466052 /nfs/dbraw/zinc/46/60/52/437466052.db2.gz YBVULAITJLKZSW-FXUDXRNXSA-N 1 1 341.452 0.889 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330196996 437468251 /nfs/dbraw/zinc/46/82/51/437468251.db2.gz REJXIFIMECOSQB-ZIAGYGMSSA-N 1 1 346.497 0.741 20 30 ECEDMO C[C@H](Cn1cncn1)NC([O-])=[NH+]c1ccn(C2CC[NH+](C)CC2)n1 ZINC000330205477 437468936 /nfs/dbraw/zinc/46/89/36/437468936.db2.gz DLDABNOMAWHLHG-GFCCVEGCSA-N 1 1 332.412 1.156 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000359984458 437497622 /nfs/dbraw/zinc/49/76/22/437497622.db2.gz LUCNBBIWKUMCPB-CYBMUJFWSA-N 1 1 328.416 0.988 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000330396894 437500989 /nfs/dbraw/zinc/50/09/89/437500989.db2.gz RYNUJVZVVHFKAA-KBPBESRZSA-N 1 1 332.470 0.365 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000330396894 437500993 /nfs/dbraw/zinc/50/09/93/437500993.db2.gz RYNUJVZVVHFKAA-KBPBESRZSA-N 1 1 332.470 0.365 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339731236 437501780 /nfs/dbraw/zinc/50/17/80/437501780.db2.gz YXHHXASYLBGQKV-HNNXBMFYSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CCNC(=O)[C@H](C)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188324482 437544850 /nfs/dbraw/zinc/54/48/50/437544850.db2.gz GRHLMEZYELHPEC-QFBILLFUSA-N 1 1 329.444 0.693 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000360224982 437559562 /nfs/dbraw/zinc/55/95/62/437559562.db2.gz LYEFSVPMIXYSRA-INIZCTEOSA-N 1 1 341.375 0.327 20 30 ECEDMO C[NH+]1CCN([C@@H](C(=O)N2CC(O)(CC#N)C2)c2ccccc2)CC1 ZINC000188679660 437561581 /nfs/dbraw/zinc/56/15/81/437561581.db2.gz DQPSMDJGYKTPDV-MRXNPFEDSA-N 1 1 328.416 0.462 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)nn1CCC#N ZINC000343426049 437579447 /nfs/dbraw/zinc/57/94/47/437579447.db2.gz LYTGQRYQLURKEU-STQMWFEESA-N 1 1 332.408 0.595 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)nn1CCC#N ZINC000354505052 437629616 /nfs/dbraw/zinc/62/96/16/437629616.db2.gz LIZUUDUPPUAJKT-GFCCVEGCSA-N 1 1 334.424 0.889 20 30 ECEDMO Cc1ccn(C)c(=O)c1NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000331020870 437672594 /nfs/dbraw/zinc/67/25/94/437672594.db2.gz OWQVUQLJPBUWCH-UHFFFAOYSA-N 1 1 349.435 0.335 20 30 ECEDMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292060476 437653723 /nfs/dbraw/zinc/65/37/23/437653723.db2.gz BYACYQUQNCJSFQ-BPUTZDHNSA-N 1 1 335.404 0.819 20 30 ECEDMO COC[C@@H]1CN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000330935548 437653994 /nfs/dbraw/zinc/65/39/94/437653994.db2.gz NTROIAHQQWAFEY-ZNMIVQPWSA-N 1 1 329.441 0.747 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000343908243 437690586 /nfs/dbraw/zinc/69/05/86/437690586.db2.gz IUMVRSZRYKUBPU-OAHLLOKOSA-N 1 1 336.480 0.696 20 30 ECEDMO CC(C)N1C[C@@H](NC(=O)N2CCC([N@@H+](C)CCO)CC2)CC1=O ZINC000331112036 437691362 /nfs/dbraw/zinc/69/13/62/437691362.db2.gz JKNITJZGBOWKRP-ZDUSSCGKSA-N 1 1 326.441 0.298 20 30 ECEDMO Cc1cccc(NC(=O)NCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000331177470 437708632 /nfs/dbraw/zinc/70/86/32/437708632.db2.gz QKGGZVFSOULCLJ-AWEZNQCLSA-N 1 1 334.420 0.846 20 30 ECEDMO Cc1cccc(NC(=O)NCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000331177470 437708634 /nfs/dbraw/zinc/70/86/34/437708634.db2.gz QKGGZVFSOULCLJ-AWEZNQCLSA-N 1 1 334.420 0.846 20 30 ECEDMO CCOC(=O)CC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000340958624 437763875 /nfs/dbraw/zinc/76/38/75/437763875.db2.gz WSSDRGLSRWAXAU-HNNXBMFYSA-N 1 1 338.452 0.564 20 30 ECEDMO CCOC(=O)CC[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000340958624 437763877 /nfs/dbraw/zinc/76/38/77/437763877.db2.gz WSSDRGLSRWAXAU-HNNXBMFYSA-N 1 1 338.452 0.564 20 30 ECEDMO CCOC(=O)CC[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000340958627 437764910 /nfs/dbraw/zinc/76/49/10/437764910.db2.gz WSSDRGLSRWAXAU-OAHLLOKOSA-N 1 1 338.452 0.564 20 30 ECEDMO CCOC(=O)CC[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000340958627 437764913 /nfs/dbraw/zinc/76/49/13/437764913.db2.gz WSSDRGLSRWAXAU-OAHLLOKOSA-N 1 1 338.452 0.564 20 30 ECEDMO C[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000362243312 437725257 /nfs/dbraw/zinc/72/52/57/437725257.db2.gz WZYDOPUPKKNGKD-CQSZACIVSA-N 1 1 328.416 0.942 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000362294236 437730137 /nfs/dbraw/zinc/73/01/37/437730137.db2.gz SEAMKVHARPSSRY-IRXDYDNUSA-N 1 1 341.411 0.664 20 30 ECEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(NS(=O)(=O)NC)CC1 ZINC000331355849 437744012 /nfs/dbraw/zinc/74/40/12/437744012.db2.gz REAVZMPCZVOWCY-GFCCVEGCSA-N 1 1 349.501 0.149 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@H](O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000362752467 437752878 /nfs/dbraw/zinc/75/28/78/437752878.db2.gz GUELFEOOBUYFCD-ZDUSSCGKSA-N 1 1 327.812 0.582 20 30 ECEDMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000356253828 437756790 /nfs/dbraw/zinc/75/67/90/437756790.db2.gz NRNRSSXBWWZSNX-GOSISDBHSA-N 1 1 339.399 0.659 20 30 ECEDMO C=CCCC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000344594087 437760241 /nfs/dbraw/zinc/76/02/41/437760241.db2.gz FOFXNXJYUOLXPR-GASCZTMLSA-N 1 1 331.482 0.924 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000346725747 437818446 /nfs/dbraw/zinc/81/84/46/437818446.db2.gz FKAOYULMTTZMES-ZDUSSCGKSA-N 1 1 328.294 0.768 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000346560316 437813470 /nfs/dbraw/zinc/81/34/70/437813470.db2.gz ANMXNUANJRFNFJ-QAPCUYQASA-N 1 1 334.416 0.467 20 30 ECEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000415618806 437833438 /nfs/dbraw/zinc/83/34/38/437833438.db2.gz XOTUTGNHCQBSOU-UHFFFAOYSA-N 1 1 326.303 0.606 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000341861513 437913561 /nfs/dbraw/zinc/91/35/61/437913561.db2.gz XXRCKOYCYXBSAU-AWEZNQCLSA-N 1 1 340.468 0.461 20 30 ECEDMO C=CCNC(=O)CN1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347667936 437928214 /nfs/dbraw/zinc/92/82/14/437928214.db2.gz HCDWEBSKXGCBDU-UHFFFAOYSA-N 1 1 337.493 0.625 20 30 ECEDMO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000357022046 437889479 /nfs/dbraw/zinc/88/94/79/437889479.db2.gz RZVMDXXFDVUPHH-GXTWGEPZSA-N 1 1 339.392 0.175 20 30 ECEDMO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000357022046 437889481 /nfs/dbraw/zinc/88/94/81/437889481.db2.gz RZVMDXXFDVUPHH-GXTWGEPZSA-N 1 1 339.392 0.175 20 30 ECEDMO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@H](C)O1 ZINC000371619881 437965253 /nfs/dbraw/zinc/96/52/53/437965253.db2.gz DLMGFOQLVAHARE-UXLLHSPISA-N 1 1 349.479 0.867 20 30 ECEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425326618 438022397 /nfs/dbraw/zinc/02/23/97/438022397.db2.gz YMFADKSGYOSACE-CQSZACIVSA-N 1 1 325.453 0.884 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000342591514 438034403 /nfs/dbraw/zinc/03/44/03/438034403.db2.gz SRONWPGDZOPGEX-RDTXWAMCSA-N 1 1 346.406 0.706 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cccc(C#N)c2=O)C1 ZINC000342654882 438043410 /nfs/dbraw/zinc/04/34/10/438043410.db2.gz MRGQXSVMTBOUCK-OAHLLOKOSA-N 1 1 332.404 0.193 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000425908908 438046455 /nfs/dbraw/zinc/04/64/55/438046455.db2.gz LBCXXJMAYYSMSA-VGWMRTNUSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000425908906 438047031 /nfs/dbraw/zinc/04/70/31/438047031.db2.gz LBCXXJMAYYSMSA-QXSJWSMHSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000425879975 438047215 /nfs/dbraw/zinc/04/72/15/438047215.db2.gz JLAXFCRAURZQQD-LZWOXQAQSA-N 1 1 335.448 0.827 20 30 ECEDMO COc1cc(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1C#N ZINC000357778473 438067796 /nfs/dbraw/zinc/06/77/96/438067796.db2.gz IEDSMGADXWTMNY-HNNXBMFYSA-N 1 1 331.420 0.612 20 30 ECEDMO C=CCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000357944042 438106325 /nfs/dbraw/zinc/10/63/25/438106325.db2.gz HYRKUMXUTPQNJX-INIZCTEOSA-N 1 1 335.448 0.877 20 30 ECEDMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 ZINC000348825129 438106590 /nfs/dbraw/zinc/10/65/90/438106590.db2.gz FONYYGMAIAZVJD-CQSZACIVSA-N 1 1 346.435 0.892 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)NCC)C1 ZINC000373128623 438129189 /nfs/dbraw/zinc/12/91/89/438129189.db2.gz ZVNPICLDKRUEHN-STQMWFEESA-N 1 1 346.435 0.868 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)NCC)C1 ZINC000373128623 438129192 /nfs/dbraw/zinc/12/91/92/438129192.db2.gz ZVNPICLDKRUEHN-STQMWFEESA-N 1 1 346.435 0.868 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000349836622 438183542 /nfs/dbraw/zinc/18/35/42/438183542.db2.gz SPLRTCMNFQPKMI-AWEZNQCLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000367489308 438214161 /nfs/dbraw/zinc/21/41/61/438214161.db2.gz KQFYYYQFOKTTRG-HZPDHXFCSA-N 1 1 337.464 0.838 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000375315925 438247544 /nfs/dbraw/zinc/24/75/44/438247544.db2.gz BTRACRZVQNSXOS-CVEARBPZSA-N 1 1 345.451 0.217 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000375315925 438247546 /nfs/dbraw/zinc/24/75/46/438247546.db2.gz BTRACRZVQNSXOS-CVEARBPZSA-N 1 1 345.451 0.217 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000418968586 438267465 /nfs/dbraw/zinc/26/74/65/438267465.db2.gz CFLIEGAKYQLISL-CQSZACIVSA-N 1 1 329.404 0.611 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000376300577 438278107 /nfs/dbraw/zinc/27/81/07/438278107.db2.gz KAROZBJESPUXAE-ZBFHGGJFSA-N 1 1 343.431 0.978 20 30 ECEDMO C[C@H](CN1CCOCC1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000434712451 438317272 /nfs/dbraw/zinc/31/72/72/438317272.db2.gz CAUMMJDKTSUMGP-OAHLLOKOSA-N 1 1 330.432 0.827 20 30 ECEDMO C[C@H](CN1CCOCC1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000434712451 438317273 /nfs/dbraw/zinc/31/72/73/438317273.db2.gz CAUMMJDKTSUMGP-OAHLLOKOSA-N 1 1 330.432 0.827 20 30 ECEDMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2ccc(C#N)s2)n1C ZINC000435443867 438365695 /nfs/dbraw/zinc/36/56/95/438365695.db2.gz SWECDXOQTYECSK-UHFFFAOYSA-N 1 1 325.419 0.898 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(Cc2noc(CC)n2)C1 ZINC000369245883 438444106 /nfs/dbraw/zinc/44/41/06/438444106.db2.gz ULEIUVVAFGFFPZ-UONOGXRCSA-N 1 1 333.436 0.666 20 30 ECEDMO C=CCCC[C@H](C)NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000352236434 438399782 /nfs/dbraw/zinc/39/97/82/438399782.db2.gz DEFMBENYNAGDOZ-INIZCTEOSA-N 1 1 338.496 0.943 20 30 ECEDMO C=CCCC[C@@H](C)NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000352316529 438408933 /nfs/dbraw/zinc/40/89/33/438408933.db2.gz VLXHERYZJZKVSM-OAHLLOKOSA-N 1 1 338.496 0.990 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000352367476 438415041 /nfs/dbraw/zinc/41/50/41/438415041.db2.gz PCCNKGOGWVYFGF-KRWDZBQOSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369355295 438460949 /nfs/dbraw/zinc/46/09/49/438460949.db2.gz PPZZMTRWTBRYAU-HZPDHXFCSA-N 1 1 325.453 0.490 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)CC2(C)C)CC1 ZINC000408100019 438512161 /nfs/dbraw/zinc/51/21/61/438512161.db2.gz OYSHKMDMFIVOCI-INIZCTEOSA-N 1 1 335.496 0.705 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451803518 438606327 /nfs/dbraw/zinc/60/63/27/438606327.db2.gz QQJGRYXBQIXBPV-LBPRGKRZSA-N 1 1 330.379 0.984 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1C#N ZINC000408362200 438561129 /nfs/dbraw/zinc/56/11/29/438561129.db2.gz MHAWHTHKKZPZNT-LSDHHAIUSA-N 1 1 336.417 0.355 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1C#N ZINC000408362200 438561131 /nfs/dbraw/zinc/56/11/31/438561131.db2.gz MHAWHTHKKZPZNT-LSDHHAIUSA-N 1 1 336.417 0.355 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cc1C#N ZINC000408362199 438561136 /nfs/dbraw/zinc/56/11/36/438561136.db2.gz MHAWHTHKKZPZNT-HUUCEWRRSA-N 1 1 336.417 0.355 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1C#N ZINC000408362199 438561140 /nfs/dbraw/zinc/56/11/40/438561140.db2.gz MHAWHTHKKZPZNT-HUUCEWRRSA-N 1 1 336.417 0.355 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](CCCO)C2)CC1 ZINC000452122170 438644225 /nfs/dbraw/zinc/64/42/25/438644225.db2.gz OIJWMSOIPAOJKR-DLBZAZTESA-N 1 1 336.480 0.773 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000447397719 438677001 /nfs/dbraw/zinc/67/70/01/438677001.db2.gz OTBZXUXZVFHWAO-PMPSAXMXSA-N 1 1 341.452 0.340 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000447397719 438677004 /nfs/dbraw/zinc/67/70/04/438677004.db2.gz OTBZXUXZVFHWAO-PMPSAXMXSA-N 1 1 341.452 0.340 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CC[NH+](C(COC)COC)CC1 ZINC000411861824 438682100 /nfs/dbraw/zinc/68/21/00/438682100.db2.gz NYXVTPVBNZJHJF-UHFFFAOYSA-N 1 1 327.469 0.690 20 30 ECEDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000451252092 438696480 /nfs/dbraw/zinc/69/64/80/438696480.db2.gz HCXQRKYOJQQNQV-BBWFWOEESA-N 1 1 336.480 0.772 20 30 ECEDMO CNC(=O)CCOC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000494932369 438714232 /nfs/dbraw/zinc/71/42/32/438714232.db2.gz CLDYWWZKVUVDEO-QGZVFWFLSA-N 1 1 336.436 0.412 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000548351603 438727986 /nfs/dbraw/zinc/72/79/86/438727986.db2.gz PVZZNYRAQDYXIL-KRWDZBQOSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](N(C)CC(=O)OC(C)(C)C)C1 ZINC000551044155 438737544 /nfs/dbraw/zinc/73/75/44/438737544.db2.gz KSMMLNYVUFAYIN-QLFBSQMISA-N 1 1 328.453 0.632 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000576412260 438781743 /nfs/dbraw/zinc/78/17/43/438781743.db2.gz MAOMPBQRYGUJKU-LSDHHAIUSA-N 1 1 344.481 0.509 20 30 ECEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000588830321 438841788 /nfs/dbraw/zinc/84/17/88/438841788.db2.gz WMAUTAKTRKLAAY-HOCLYGCPSA-N 1 1 328.416 0.832 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000588897237 438848835 /nfs/dbraw/zinc/84/88/35/438848835.db2.gz JLPNDWZMJRYVKH-DLBZAZTESA-N 1 1 349.456 0.919 20 30 ECEDMO N#CCCN1CCN(C(=O)C(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000601458273 438902603 /nfs/dbraw/zinc/90/26/03/438902603.db2.gz DMJWYQHLXAEMHF-UHFFFAOYSA-N 1 1 344.419 0.174 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590281125 438907306 /nfs/dbraw/zinc/90/73/06/438907306.db2.gz MCBYECMIQVJAAP-TZMCWYRMSA-N 1 1 328.372 0.668 20 30 ECEDMO C[C@H](NC(=O)C(=O)N(C)Cc1cccc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000589139093 438858429 /nfs/dbraw/zinc/85/84/29/438858429.db2.gz OBJBMWCLDLMMGJ-XJKSGUPXSA-N 1 1 344.415 0.352 20 30 ECEDMO C[C@H](NC(=O)C(=O)N(C)Cc1cccc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000589139093 438858435 /nfs/dbraw/zinc/85/84/35/438858435.db2.gz OBJBMWCLDLMMGJ-XJKSGUPXSA-N 1 1 344.415 0.352 20 30 ECEDMO N#Cc1cc(O)cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000589181054 438860221 /nfs/dbraw/zinc/86/02/21/438860221.db2.gz SYLHZDFABKUMEU-INIZCTEOSA-N 1 1 344.415 0.400 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595869749 438874119 /nfs/dbraw/zinc/87/41/19/438874119.db2.gz YCAHVEXZXSSCBG-QGPMSJSTSA-N 1 1 336.480 0.960 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)n3)CC[C@H]21 ZINC000564947279 438892187 /nfs/dbraw/zinc/89/21/87/438892187.db2.gz HKYNOVOTWPXGBP-TZMCWYRMSA-N 1 1 327.388 0.834 20 30 ECEDMO N#Cc1ccc([C@@H]([NH2+]CCN2C[C@H]3CCCCN3C2=O)C(N)=O)cc1 ZINC000596048344 438919247 /nfs/dbraw/zinc/91/92/47/438919247.db2.gz UTLZXOZRKWKZMU-HZPDHXFCSA-N 1 1 341.415 0.964 20 30 ECEDMO C[C@@H](CCC#N)C[NH+]1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000590592928 438938945 /nfs/dbraw/zinc/93/89/45/438938945.db2.gz CWIGJAYKRUTMFB-HNNXBMFYSA-N 1 1 343.497 0.036 20 30 ECEDMO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000459462801 438965170 /nfs/dbraw/zinc/96/51/70/438965170.db2.gz LRIULMFOVKXSNW-GJZGRUSLSA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)N(CCCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N)S(C)(=O)=O ZINC000459462391 438966402 /nfs/dbraw/zinc/96/64/02/438966402.db2.gz JMRRUZPZRCKKIQ-ZIAGYGMSSA-N 1 1 344.481 0.445 20 30 ECEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC(=O)NCC#N)C1 ZINC000596599931 438979512 /nfs/dbraw/zinc/97/95/12/438979512.db2.gz XFUKYHQGLOMMOI-INIZCTEOSA-N 1 1 343.431 0.585 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000591059854 438980095 /nfs/dbraw/zinc/98/00/95/438980095.db2.gz PVUXWKBZHYRNDK-IAQYHMDHSA-N 1 1 325.434 0.633 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000591059854 438980100 /nfs/dbraw/zinc/98/01/00/438980100.db2.gz PVUXWKBZHYRNDK-IAQYHMDHSA-N 1 1 325.434 0.633 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]23CCNC3=O)CC1 ZINC000565959499 438993876 /nfs/dbraw/zinc/99/38/76/438993876.db2.gz ONBBQDRIMKYVID-QAPCUYQASA-N 1 1 347.463 0.033 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@]23CCNC3=O)CC1 ZINC000565959499 438993880 /nfs/dbraw/zinc/99/38/80/438993880.db2.gz ONBBQDRIMKYVID-QAPCUYQASA-N 1 1 347.463 0.033 20 30 ECEDMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000519620577 439047825 /nfs/dbraw/zinc/04/78/25/439047825.db2.gz CDUHIGPLBGZLAJ-SJORKVTESA-N 1 1 335.496 0.705 20 30 ECEDMO C[C@@H](CC#N)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000597167571 439051084 /nfs/dbraw/zinc/05/10/84/439051084.db2.gz KYQURHYDZMRINV-HNNXBMFYSA-N 1 1 349.479 0.233 20 30 ECEDMO N#C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000602157425 439026273 /nfs/dbraw/zinc/02/62/73/439026273.db2.gz FCWIMWHNLXGYMU-RYRKJORJSA-N 1 1 329.400 0.526 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000566832003 439093502 /nfs/dbraw/zinc/09/35/02/439093502.db2.gz FHQZNWONCJQICJ-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO COc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000591728839 439078445 /nfs/dbraw/zinc/07/84/45/439078445.db2.gz WCITXTLAZVBZAE-UHFFFAOYSA-N 1 1 332.385 0.920 20 30 ECEDMO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000592151480 439166787 /nfs/dbraw/zinc/16/67/87/439166787.db2.gz MJSPHFQVVCUBBS-KRWDZBQOSA-N 1 1 332.404 0.274 20 30 ECEDMO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000592151480 439166789 /nfs/dbraw/zinc/16/67/89/439166789.db2.gz MJSPHFQVVCUBBS-KRWDZBQOSA-N 1 1 332.404 0.274 20 30 ECEDMO COc1cc2[nH+]c(N3CC[C@@](O)(CC#N)C3)nc(N)c2cc1OC ZINC000591977432 439126207 /nfs/dbraw/zinc/12/62/07/439126207.db2.gz YXEHUIHUPZQJJS-INIZCTEOSA-N 1 1 329.360 1.084 20 30 ECEDMO COC[C@@]1(C(=O)OC)CCCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000602911323 439159338 /nfs/dbraw/zinc/15/93/38/439159338.db2.gz JWUMANVLCKBALF-MRXNPFEDSA-N 1 1 325.409 0.793 20 30 ECEDMO COC[C@@]1(C(=O)OC)CCCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000602911323 439159341 /nfs/dbraw/zinc/15/93/41/439159341.db2.gz JWUMANVLCKBALF-MRXNPFEDSA-N 1 1 325.409 0.793 20 30 ECEDMO N#CCC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000568176141 439219753 /nfs/dbraw/zinc/21/97/53/439219753.db2.gz RJSFWYOKYDNAIT-UHFFFAOYSA-N 1 1 325.372 0.945 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn2cc[nH+]c12 ZINC000592299144 439194687 /nfs/dbraw/zinc/19/46/87/439194687.db2.gz CNWWRKJADGHRLS-MRXNPFEDSA-N 1 1 327.344 0.458 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)n1cnc(C#N)n1 ZINC000603120884 439195841 /nfs/dbraw/zinc/19/58/41/439195841.db2.gz XRCBCZWBOUPZRP-UPJWGTAASA-N 1 1 332.408 0.326 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cnc4c(C#N)cnn4c3)CC2)C1 ZINC000592499466 439240632 /nfs/dbraw/zinc/24/06/32/439240632.db2.gz DJGNCXMHBIPUJK-QGZVFWFLSA-N 1 1 339.447 0.813 20 30 ECEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CCC1 ZINC000527377531 439267245 /nfs/dbraw/zinc/26/72/45/439267245.db2.gz IXEIUCOCWGGXAK-ZDUSSCGKSA-N 1 1 328.420 0.966 20 30 ECEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CCC1 ZINC000527377531 439267249 /nfs/dbraw/zinc/26/72/49/439267249.db2.gz IXEIUCOCWGGXAK-ZDUSSCGKSA-N 1 1 328.420 0.966 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490915017 439312118 /nfs/dbraw/zinc/31/21/18/439312118.db2.gz KSQKQAAFCCGNKV-MCIONIFRSA-N 1 1 327.450 0.301 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490924178 439313107 /nfs/dbraw/zinc/31/31/07/439313107.db2.gz OEFXDNIXMDOZPN-NFAWXSAZSA-N 1 1 339.461 0.444 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490924178 439313110 /nfs/dbraw/zinc/31/31/10/439313110.db2.gz OEFXDNIXMDOZPN-NFAWXSAZSA-N 1 1 339.461 0.444 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000569351028 439325545 /nfs/dbraw/zinc/32/55/45/439325545.db2.gz JMBHNWXUGSJGEV-AWEZNQCLSA-N 1 1 334.445 0.801 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000569351028 439325550 /nfs/dbraw/zinc/32/55/50/439325550.db2.gz JMBHNWXUGSJGEV-AWEZNQCLSA-N 1 1 334.445 0.801 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000490680220 439287129 /nfs/dbraw/zinc/28/71/29/439287129.db2.gz YWFDMTKSNPKVOT-HIFRSBDPSA-N 1 1 349.456 0.811 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000490874320 439306860 /nfs/dbraw/zinc/30/68/60/439306860.db2.gz MLFZZJSZLQCKCS-AWEZNQCLSA-N 1 1 347.415 0.882 20 30 ECEDMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000528734721 439365503 /nfs/dbraw/zinc/36/55/03/439365503.db2.gz NQZPRBHIFOTHIA-KRWDZBQOSA-N 1 1 344.415 0.262 20 30 ECEDMO CNC(=O)[C@@]1(C)CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528484821 439342574 /nfs/dbraw/zinc/34/25/74/439342574.db2.gz GEGAQYZMUPIYBK-IBGZPJMESA-N 1 1 339.395 0.744 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C ZINC000491349709 439370567 /nfs/dbraw/zinc/37/05/67/439370567.db2.gz JTFJXWYUHIQQJD-UONOGXRCSA-N 1 1 339.436 0.428 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000491350061 439370639 /nfs/dbraw/zinc/37/06/39/439370639.db2.gz LVCCFLPPDIXGDM-UHFFFAOYSA-N 1 1 329.448 0.518 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000491350061 439370644 /nfs/dbraw/zinc/37/06/44/439370644.db2.gz LVCCFLPPDIXGDM-UHFFFAOYSA-N 1 1 329.448 0.518 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000528826896 439374610 /nfs/dbraw/zinc/37/46/10/439374610.db2.gz FHKBSXNBPVLKKI-UHFFFAOYSA-N 1 1 329.404 0.118 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C ZINC000593537510 439397333 /nfs/dbraw/zinc/39/73/33/439397333.db2.gz LUTWBZJTMVZHER-GFCCVEGCSA-N 1 1 337.401 0.717 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000593537510 439397337 /nfs/dbraw/zinc/39/73/37/439397337.db2.gz LUTWBZJTMVZHER-GFCCVEGCSA-N 1 1 337.401 0.717 20 30 ECEDMO C[N@@H+](CC(=O)N1CCOCC1)C[C@H](O)COc1ccccc1C#N ZINC000599261048 439403408 /nfs/dbraw/zinc/40/34/08/439403408.db2.gz KQUMXNVBQTYFHG-HNNXBMFYSA-N 1 1 333.388 0.089 20 30 ECEDMO C[N@H+](CC(=O)N1CCOCC1)C[C@H](O)COc1ccccc1C#N ZINC000599261048 439403414 /nfs/dbraw/zinc/40/34/14/439403414.db2.gz KQUMXNVBQTYFHG-HNNXBMFYSA-N 1 1 333.388 0.089 20 30 ECEDMO COCC[N@@H+](Cc1ccnn1C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599395812 439455191 /nfs/dbraw/zinc/45/51/91/439455191.db2.gz LDJLRMBEQCLMCG-INIZCTEOSA-N 1 1 336.436 0.940 20 30 ECEDMO COCC[N@H+](Cc1ccnn1C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599395812 439455197 /nfs/dbraw/zinc/45/51/97/439455197.db2.gz LDJLRMBEQCLMCG-INIZCTEOSA-N 1 1 336.436 0.940 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000491617872 439412116 /nfs/dbraw/zinc/41/21/16/439412116.db2.gz ADHINJFBJUQPAR-UHFFFAOYSA-N 1 1 348.447 0.558 20 30 ECEDMO C#CCN1CCN(C(=O)CN(C)Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000491634595 439416242 /nfs/dbraw/zinc/41/62/42/439416242.db2.gz UFGOIUHJTAQLDT-UHFFFAOYSA-N 1 1 344.459 0.916 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000491640382 439417325 /nfs/dbraw/zinc/41/73/25/439417325.db2.gz YILQRXNRBYGLQK-INIZCTEOSA-N 1 1 332.452 0.294 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C1CCCC1 ZINC000491647627 439418522 /nfs/dbraw/zinc/41/85/22/439418522.db2.gz YOVPWLZDDJHMNQ-UHFFFAOYSA-N 1 1 347.459 0.714 20 30 ECEDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599396615 439455491 /nfs/dbraw/zinc/45/54/91/439455491.db2.gz RUJMFQPSQKKXCY-DOTOQJQBSA-N 1 1 333.432 0.950 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)CC1 ZINC000491681432 439427436 /nfs/dbraw/zinc/42/74/36/439427436.db2.gz NALCRLWZMMCDOK-MRXNPFEDSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)CC1 ZINC000491681432 439427441 /nfs/dbraw/zinc/42/74/41/439427441.db2.gz NALCRLWZMMCDOK-MRXNPFEDSA-N 1 1 335.448 0.034 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@H+](CCOC)CC1(C)C ZINC000593657639 439437239 /nfs/dbraw/zinc/43/72/39/439437239.db2.gz PCMRKMGOOBCDCV-AWEZNQCLSA-N 1 1 346.497 0.755 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CCOC)CC1(C)C ZINC000593657639 439437244 /nfs/dbraw/zinc/43/72/44/439437244.db2.gz PCMRKMGOOBCDCV-AWEZNQCLSA-N 1 1 346.497 0.755 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C ZINC000491811426 439455846 /nfs/dbraw/zinc/45/58/46/439455846.db2.gz LKUPICSTWFGMLL-PBHICJAKSA-N 1 1 345.447 0.319 20 30 ECEDMO C#C[C@@H](C)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000491788666 439450533 /nfs/dbraw/zinc/45/05/33/439450533.db2.gz XRUPTTUZZZHMEU-OAHLLOKOSA-N 1 1 349.456 0.473 20 30 ECEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000491788666 439450534 /nfs/dbraw/zinc/45/05/34/439450534.db2.gz XRUPTTUZZZHMEU-OAHLLOKOSA-N 1 1 349.456 0.473 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000593754754 439462084 /nfs/dbraw/zinc/46/20/84/439462084.db2.gz OGSGFVUOABCANE-DOTOQJQBSA-N 1 1 342.443 0.990 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000593754754 439462087 /nfs/dbraw/zinc/46/20/87/439462087.db2.gz OGSGFVUOABCANE-DOTOQJQBSA-N 1 1 342.443 0.990 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000599563747 439507912 /nfs/dbraw/zinc/50/79/12/439507912.db2.gz CXNVRMRCZGQCOW-YJBOKZPZSA-N 1 1 343.383 0.927 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000599563747 439507918 /nfs/dbraw/zinc/50/79/18/439507918.db2.gz CXNVRMRCZGQCOW-YJBOKZPZSA-N 1 1 343.383 0.927 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H](N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2=O)cc1 ZINC000594026058 439508973 /nfs/dbraw/zinc/50/89/73/439508973.db2.gz ZEHSLTVIFANPAH-RCCFBDPRSA-N 1 1 340.427 0.804 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000599569856 439509805 /nfs/dbraw/zinc/50/98/05/439509805.db2.gz PQCRMWSQMZZZHT-SUMWQHHRSA-N 1 1 337.420 0.981 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000599569856 439509809 /nfs/dbraw/zinc/50/98/09/439509809.db2.gz PQCRMWSQMZZZHT-SUMWQHHRSA-N 1 1 337.420 0.981 20 30 ECEDMO C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000538065528 439542661 /nfs/dbraw/zinc/54/26/61/439542661.db2.gz BOHSPTMWUBGTPL-GFCCVEGCSA-N 1 1 346.435 0.906 20 30 ECEDMO CN1CC[NH+](Cc2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)CC1 ZINC000531768392 439512252 /nfs/dbraw/zinc/51/22/52/439512252.db2.gz UVKLYCCEUOJVIG-UHFFFAOYSA-N 1 1 339.403 0.536 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000594041724 439512641 /nfs/dbraw/zinc/51/26/41/439512641.db2.gz JQHKDHSSHWDFKT-GVDBMIGSSA-N 1 1 331.416 0.243 20 30 ECEDMO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@H+]1CCC(=O)N(C)CCC#N ZINC000599590964 439512804 /nfs/dbraw/zinc/51/28/04/439512804.db2.gz PCQFDHSZOYDGAR-QWHCGFSZSA-N 1 1 339.392 0.175 20 30 ECEDMO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000599590964 439512806 /nfs/dbraw/zinc/51/28/06/439512806.db2.gz PCQFDHSZOYDGAR-QWHCGFSZSA-N 1 1 339.392 0.175 20 30 ECEDMO C[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594070533 439513704 /nfs/dbraw/zinc/51/37/04/439513704.db2.gz VNYNUCDMBXXBJK-MELADBBJSA-N 1 1 334.424 1.416 20 30 ECEDMO C[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594070533 439513707 /nfs/dbraw/zinc/51/37/07/439513707.db2.gz VNYNUCDMBXXBJK-MELADBBJSA-N 1 1 334.424 1.416 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000594484055 439568723 /nfs/dbraw/zinc/56/87/23/439568723.db2.gz QTKAXVIIEFKCIL-HZSPNIEDSA-N 1 1 328.438 0.062 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N2CC[NH+](CCCF)CC2)cc1 ZINC000600075868 439608948 /nfs/dbraw/zinc/60/89/48/439608948.db2.gz DUPZWOJYRRLLIA-UHFFFAOYSA-N 1 1 332.379 0.792 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)cc1 ZINC000572842043 439611872 /nfs/dbraw/zinc/61/18/72/439611872.db2.gz OCCJSNUZVAJQEZ-ZWKOTPCHSA-N 1 1 347.459 0.929 20 30 ECEDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1cccc(C#N)c1 ZINC000594842797 439626485 /nfs/dbraw/zinc/62/64/85/439626485.db2.gz ITTYJHWWWPVGNK-UHFFFAOYSA-N 1 1 338.433 0.199 20 30 ECEDMO Cc1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)nn1-c1cccc(C#N)c1 ZINC000600807453 439704627 /nfs/dbraw/zinc/70/46/27/439704627.db2.gz DFRFCHKIFJHJGJ-INIZCTEOSA-N 1 1 339.399 0.849 20 30 ECEDMO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000611551302 439706093 /nfs/dbraw/zinc/70/60/93/439706093.db2.gz JYCOTQMHZMCMPB-OAHLLOKOSA-N 1 1 340.424 0.687 20 30 ECEDMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000595340406 439706126 /nfs/dbraw/zinc/70/61/26/439706126.db2.gz WGDQCWFGORDUSV-HUUCEWRRSA-N 1 1 332.452 0.560 20 30 ECEDMO C[C@](O)(C[C@@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)C1CC1 ZINC000600847218 439711001 /nfs/dbraw/zinc/71/10/01/439711001.db2.gz YAAKZPDYGDSYTR-AEFFLSMTSA-N 1 1 330.432 0.987 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000612534774 439724050 /nfs/dbraw/zinc/72/40/50/439724050.db2.gz JLJJKFMCNMAREQ-IAGOWNOFSA-N 1 1 331.416 0.509 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCCC1 ZINC000595383737 439718826 /nfs/dbraw/zinc/71/88/26/439718826.db2.gz DWHCFHVWNFIGAI-OAHLLOKOSA-N 1 1 341.477 0.931 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611165934 439676839 /nfs/dbraw/zinc/67/68/39/439676839.db2.gz KNQXGVAGSSMPED-UHFFFAOYSA-N 1 1 347.415 0.861 20 30 ECEDMO COCC(=O)NC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000611261318 439684939 /nfs/dbraw/zinc/68/49/39/439684939.db2.gz PSTMOQDXWRSACZ-UHFFFAOYSA-N 1 1 327.388 0.933 20 30 ECEDMO CN1CC(=O)N(CC[NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000595301812 439695005 /nfs/dbraw/zinc/69/50/05/439695005.db2.gz QIPIHJUIBIFPME-UHFFFAOYSA-N 1 1 327.388 0.574 20 30 ECEDMO N#CC1(C[C@@H](O)CNC[C@H](O)C[NH+]2CCCCC2)CCOCC1 ZINC000600740620 439697603 /nfs/dbraw/zinc/69/76/03/439697603.db2.gz ZNRLDFPQEUZTCS-CVEARBPZSA-N 1 1 325.453 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCN(CCC(=O)OC)C2=O)C1=O ZINC000595471561 439731607 /nfs/dbraw/zinc/73/16/07/439731607.db2.gz BOXVUSPHGVDZFR-KBPBESRZSA-N 1 1 337.420 0.259 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(CCC(=O)OC)C2=O)C1=O ZINC000595471561 439731611 /nfs/dbraw/zinc/73/16/11/439731611.db2.gz BOXVUSPHGVDZFR-KBPBESRZSA-N 1 1 337.420 0.259 20 30 ECEDMO C[N@H+]1CCC[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000612812547 439741577 /nfs/dbraw/zinc/74/15/77/439741577.db2.gz CBCAIBCKZGUENZ-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO C[C@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1CCO ZINC000614600965 439781829 /nfs/dbraw/zinc/78/18/29/439781829.db2.gz YEYBPUBLWJUCQA-DOTOQJQBSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCN1CCO ZINC000614600965 439781830 /nfs/dbraw/zinc/78/18/30/439781830.db2.gz YEYBPUBLWJUCQA-DOTOQJQBSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCN1CCO ZINC000614600965 439781831 /nfs/dbraw/zinc/78/18/31/439781831.db2.gz YEYBPUBLWJUCQA-DOTOQJQBSA-N 1 1 333.432 0.491 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N(CCC)[C@@H]2CCN(C)C2)CC1 ZINC000647028705 439973735 /nfs/dbraw/zinc/97/37/35/439973735.db2.gz CZFOUVDKXKBGDZ-MRXNPFEDSA-N 1 1 336.480 0.696 20 30 ECEDMO C=C(C)COc1cccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000627980839 440378108 /nfs/dbraw/zinc/37/81/08/440378108.db2.gz ASYMEEYHRMHXBQ-OAHLLOKOSA-N 1 1 347.415 0.763 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000645141783 440752281 /nfs/dbraw/zinc/75/22/81/440752281.db2.gz LZRWJOKXIFPSLS-ZNMIVQPWSA-N 1 1 325.453 0.948 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000645141783 440752284 /nfs/dbraw/zinc/75/22/84/440752284.db2.gz LZRWJOKXIFPSLS-ZNMIVQPWSA-N 1 1 325.453 0.948 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000579060092 322884489 /nfs/dbraw/zinc/88/44/89/322884489.db2.gz LDBCTXTVOAKEIM-UHFFFAOYSA-N 1 1 347.400 0.158 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CCN(C(=O)c4nc[nH]n4)C3)C2)C1=O ZINC001041750771 782123778 /nfs/dbraw/zinc/12/37/78/782123778.db2.gz WFLVLBFXLIQBBS-SUMWQHHRSA-N 1 1 344.419 0.130 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001078013296 782138266 /nfs/dbraw/zinc/13/82/66/782138266.db2.gz ZYFUIDUWPPRSSH-MDZRGWNJSA-N 1 1 328.412 0.911 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)CC1 ZINC000172352703 545865804 /nfs/dbraw/zinc/86/58/04/545865804.db2.gz PIMGJEUAOLIXRJ-OLZOCXBDSA-N 1 1 329.466 0.854 20 30 ECEDMO CN(C)CC[NH+]1CCC(NC(=O)N2CCc3cncnc3C2)CC1 ZINC000329295604 546019693 /nfs/dbraw/zinc/01/96/93/546019693.db2.gz SNMFDKLPGJJNQK-UHFFFAOYSA-N 1 1 332.452 0.775 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccn1 ZINC000619436757 546326044 /nfs/dbraw/zinc/32/60/44/546326044.db2.gz JGGRMRYHYUJWIV-HNNXBMFYSA-N 1 1 329.404 0.090 20 30 ECEDMO C=CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000621015692 546473873 /nfs/dbraw/zinc/47/38/73/546473873.db2.gz OOHVHMBHPDMWGC-UHFFFAOYSA-N 1 1 344.415 0.705 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000623862379 546851707 /nfs/dbraw/zinc/85/17/07/546851707.db2.gz SFHBRNIHBFBJJD-HNNXBMFYSA-N 1 1 346.431 0.871 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000623862379 546851712 /nfs/dbraw/zinc/85/17/12/546851712.db2.gz SFHBRNIHBFBJJD-HNNXBMFYSA-N 1 1 346.431 0.871 20 30 ECEDMO C=CCn1c(-c2cn[nH]c2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624851340 546981990 /nfs/dbraw/zinc/98/19/90/546981990.db2.gz WJYFSCLAJOUFFC-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO CC(=O)NC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000625121066 547025238 /nfs/dbraw/zinc/02/52/38/547025238.db2.gz HETYYPUTTIEDRV-UHFFFAOYSA-N 1 1 339.395 0.887 20 30 ECEDMO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC1(O)CCOCC1 ZINC000625358488 547077246 /nfs/dbraw/zinc/07/72/46/547077246.db2.gz QGOOBSGUENGAEN-UHFFFAOYSA-N 1 1 342.395 0.759 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000668680737 547723263 /nfs/dbraw/zinc/72/32/63/547723263.db2.gz YKAQBESKTPCTAG-KRWDZBQOSA-N 1 1 338.496 0.991 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001078029121 782172046 /nfs/dbraw/zinc/17/20/46/782172046.db2.gz LROUULBIPMWGGE-HUUCEWRRSA-N 1 1 326.356 0.535 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC001041773135 782173185 /nfs/dbraw/zinc/17/31/85/782173185.db2.gz UTDHGEJKRBOAAZ-QGZVFWFLSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)CC1 ZINC000748818243 579329446 /nfs/dbraw/zinc/32/94/46/579329446.db2.gz SLDAGHFTHCFTIH-QGZVFWFLSA-N 1 1 346.475 0.241 20 30 ECEDMO C#CCOCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000753382899 579399982 /nfs/dbraw/zinc/39/99/82/579399982.db2.gz PRPCEKNZAHNKKZ-ZWKOTPCHSA-N 1 1 345.443 0.818 20 30 ECEDMO N#Cc1c(NCC[NH+]2CCSCC2)cccc1S(N)(=O)=O ZINC000755004064 579427630 /nfs/dbraw/zinc/42/76/30/579427630.db2.gz JDERTXKMWLPHLX-UHFFFAOYSA-N 1 1 326.447 0.666 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cn1 ZINC000728966171 578291977 /nfs/dbraw/zinc/29/19/77/578291977.db2.gz ZCGHSANEQAXSCM-MRXNPFEDSA-N 1 1 326.400 0.617 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nc1 ZINC000729497641 578296004 /nfs/dbraw/zinc/29/60/04/578296004.db2.gz XRSHQFLVRHOIDF-LSDHHAIUSA-N 1 1 344.419 0.528 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000732563223 578327554 /nfs/dbraw/zinc/32/75/54/578327554.db2.gz KIABQSCBNNEBMK-CABCVRRESA-N 1 1 345.447 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000732563223 578327555 /nfs/dbraw/zinc/32/75/55/578327555.db2.gz KIABQSCBNNEBMK-CABCVRRESA-N 1 1 345.447 0.935 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)c1cc(OC)cc(OC)c1 ZINC000735695214 578393453 /nfs/dbraw/zinc/39/34/53/578393453.db2.gz SAZKXZVDHCQGPP-IRXDYDNUSA-N 1 1 332.400 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)c1cc(OC)cc(OC)c1 ZINC000735695214 578393454 /nfs/dbraw/zinc/39/34/54/578393454.db2.gz SAZKXZVDHCQGPP-IRXDYDNUSA-N 1 1 332.400 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000735695210 578393468 /nfs/dbraw/zinc/39/34/68/578393468.db2.gz SAZKXZVDHCQGPP-DLBZAZTESA-N 1 1 332.400 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000735695210 578393469 /nfs/dbraw/zinc/39/34/69/578393469.db2.gz SAZKXZVDHCQGPP-DLBZAZTESA-N 1 1 332.400 0.951 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)C2(C#N)CCC2)C1 ZINC000736841713 578456123 /nfs/dbraw/zinc/45/61/23/578456123.db2.gz KAKLHRXDNSLXDT-AWEZNQCLSA-N 1 1 337.420 0.696 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000783013482 578737447 /nfs/dbraw/zinc/73/74/47/578737447.db2.gz RBLHTTYYFNVJIP-AWEZNQCLSA-N 1 1 331.482 0.864 20 30 ECEDMO C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000785638551 578771642 /nfs/dbraw/zinc/77/16/42/578771642.db2.gz AWQMHLRJFAYCRJ-KKUMJFAQSA-N 1 1 349.431 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 ZINC000772167091 579201125 /nfs/dbraw/zinc/20/11/25/579201125.db2.gz WLNMXVXXZFZYOA-HNNXBMFYSA-N 1 1 349.431 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 ZINC000772167091 579201126 /nfs/dbraw/zinc/20/11/26/579201126.db2.gz WLNMXVXXZFZYOA-HNNXBMFYSA-N 1 1 349.431 0.002 20 30 ECEDMO C#C[C@H](NC(=O)NCCCCN1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000773219781 579222962 /nfs/dbraw/zinc/22/29/62/579222962.db2.gz MNUYRNDWDIEHAH-IRXDYDNUSA-N 1 1 336.480 0.884 20 30 ECEDMO C#C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000775330899 579265575 /nfs/dbraw/zinc/26/55/75/579265575.db2.gz SDVKIFDDHSYZIY-YQVWRLOYSA-N 1 1 328.412 0.920 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)[C@H]1CCCO1 ZINC000775791921 579271333 /nfs/dbraw/zinc/27/13/33/579271333.db2.gz PAUXLUAGCRCJIT-JKSUJKDBSA-N 1 1 335.448 0.666 20 30 ECEDMO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000779805756 579321084 /nfs/dbraw/zinc/32/10/84/579321084.db2.gz RHCTUTHIMSRADO-LLVKDONJSA-N 1 1 335.433 0.888 20 30 ECEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000764510792 579577787 /nfs/dbraw/zinc/57/77/87/579577787.db2.gz YQXMBOUOJKRSDC-WPCFGXOUSA-N 1 1 334.420 0.894 20 30 ECEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000739006112 579661056 /nfs/dbraw/zinc/66/10/56/579661056.db2.gz QAAODDHZBIHZIW-JFVSRZABSA-N 1 1 349.435 0.494 20 30 ECEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746377816 579837366 /nfs/dbraw/zinc/83/73/66/579837366.db2.gz PGAWVZVTQARSJJ-CYBMUJFWSA-N 1 1 346.435 0.972 20 30 ECEDMO C#CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C(=O)OC ZINC000837937235 588965969 /nfs/dbraw/zinc/96/59/69/588965969.db2.gz CXYUPTUEKADTME-CVEARBPZSA-N 1 1 329.400 0.975 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1 ZINC000841253406 588984679 /nfs/dbraw/zinc/98/46/79/588984679.db2.gz PIGVJZAVGMRQAF-KRWDZBQOSA-N 1 1 333.363 0.797 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1=O ZINC000841690288 588998390 /nfs/dbraw/zinc/99/83/90/588998390.db2.gz MPHWOZZXBIRTQD-MJBXVCDLSA-N 1 1 334.420 0.478 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@@]1(c2cnn(C)c2)CCCO1 ZINC000895056427 586158725 /nfs/dbraw/zinc/15/87/25/586158725.db2.gz KPJHBGTWERKGES-QGZVFWFLSA-N 1 1 333.436 0.680 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C1CCOCC1 ZINC000895855405 586209172 /nfs/dbraw/zinc/20/91/72/586209172.db2.gz LCJRVTUZNZQJFF-BBWFWOEESA-N 1 1 335.448 0.655 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n[nH]1 ZINC000896314578 586234272 /nfs/dbraw/zinc/23/42/72/586234272.db2.gz HKWKEAAARIGXKP-CZUORRHYSA-N 1 1 328.420 0.989 20 30 ECEDMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n[nH]1 ZINC000896314578 586234275 /nfs/dbraw/zinc/23/42/75/586234275.db2.gz HKWKEAAARIGXKP-CZUORRHYSA-N 1 1 328.420 0.989 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)OC)C[C@H]32)C1 ZINC000896489416 586243836 /nfs/dbraw/zinc/24/38/36/586243836.db2.gz OABXYRHECUWLQF-LJIZCISZSA-N 1 1 333.432 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)OC)C[C@H]32)C1 ZINC000896489416 586243837 /nfs/dbraw/zinc/24/38/37/586243837.db2.gz OABXYRHECUWLQF-LJIZCISZSA-N 1 1 333.432 0.971 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000900483184 586635027 /nfs/dbraw/zinc/63/50/27/586635027.db2.gz CGJFTBBTHLUELB-KSSFIOAISA-N 1 1 346.406 0.801 20 30 ECEDMO C=CCNc1ncc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)s1 ZINC000900686546 586656709 /nfs/dbraw/zinc/65/67/09/586656709.db2.gz MUHVOQMRYPUVPW-UHFFFAOYSA-N 1 1 337.449 0.635 20 30 ECEDMO Cc1c(C(=O)NCCCN2CCC[N@H+](C)CC2)cnn1CCC#N ZINC000900697898 586657130 /nfs/dbraw/zinc/65/71/30/586657130.db2.gz FQMFEVSXCLKWFH-UHFFFAOYSA-N 1 1 332.452 0.863 20 30 ECEDMO Cc1c(C(=O)NCCC[N@H+]2CCCN(C)CC2)cnn1CCC#N ZINC000900697898 586657131 /nfs/dbraw/zinc/65/71/31/586657131.db2.gz FQMFEVSXCLKWFH-UHFFFAOYSA-N 1 1 332.452 0.863 20 30 ECEDMO Cc1c(C(=O)NCCC[N@@H+]2CCCN(C)CC2)cnn1CCC#N ZINC000900697898 586657132 /nfs/dbraw/zinc/65/71/32/586657132.db2.gz FQMFEVSXCLKWFH-UHFFFAOYSA-N 1 1 332.452 0.863 20 30 ECEDMO C=C(CC[NH+](C)C)C(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000900979689 586680659 /nfs/dbraw/zinc/68/06/59/586680659.db2.gz DEGGCHBKXREMPF-OAHLLOKOSA-N 1 1 345.509 0.462 20 30 ECEDMO N#Cc1ccc([C@H](NC[C@@H]2CC[N@H+]2C2CCOCC2)C(N)=O)cc1 ZINC000901629072 586712943 /nfs/dbraw/zinc/71/29/43/586712943.db2.gz BIJIDNAKNCGGMH-IRXDYDNUSA-N 1 1 328.416 0.928 20 30 ECEDMO N#Cc1ccc([C@H]([NH2+]C[C@@H]2CCN2C2CCOCC2)C(N)=O)cc1 ZINC000901629072 586712944 /nfs/dbraw/zinc/71/29/44/586712944.db2.gz BIJIDNAKNCGGMH-IRXDYDNUSA-N 1 1 328.416 0.928 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000805563477 586919968 /nfs/dbraw/zinc/91/99/68/586919968.db2.gz PSVDMLJLNZIPHE-UHFFFAOYSA-N 1 1 344.213 0.127 20 30 ECEDMO N#Cc1sccc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000906713194 586970076 /nfs/dbraw/zinc/97/00/76/586970076.db2.gz SUFIHIXWMJAPAT-ZDUSSCGKSA-N 1 1 334.445 0.756 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000843788639 589079477 /nfs/dbraw/zinc/07/94/77/589079477.db2.gz GNZQGGROTJGCEO-OAHLLOKOSA-N 1 1 345.447 0.290 20 30 ECEDMO C=CCN1CCN(C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)C1=O ZINC000840045636 587084874 /nfs/dbraw/zinc/08/48/74/587084874.db2.gz FGMBCIMSLPXQBK-UHFFFAOYSA-N 1 1 348.407 0.583 20 30 ECEDMO CC1(C)CN(C(=O)NCCNc2ccc(C#N)cn2)CC[N@H+]1CCO ZINC000806412402 587095617 /nfs/dbraw/zinc/09/56/17/587095617.db2.gz RYZQWAOCNUMSAP-UHFFFAOYSA-N 1 1 346.435 0.463 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCO1 ZINC000809313746 587175279 /nfs/dbraw/zinc/17/52/79/587175279.db2.gz UUQDSLNVPIHHJL-JYJNAYRXSA-N 1 1 335.448 0.616 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000809363757 587176309 /nfs/dbraw/zinc/17/63/09/587176309.db2.gz XNBPFARCMXSLER-ZJUUUORDSA-N 1 1 330.226 0.753 20 30 ECEDMO C=C[C@@H](O)C(=O)OCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000814541224 587276572 /nfs/dbraw/zinc/27/65/72/587276572.db2.gz LXTULBRXAYHVQM-GDBMZVCRSA-N 1 1 332.400 0.982 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000815704852 587296447 /nfs/dbraw/zinc/29/64/47/587296447.db2.gz RUNWYBXZEAKHAX-CZUORRHYSA-N 1 1 327.384 0.800 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000817812907 587386526 /nfs/dbraw/zinc/38/65/26/587386526.db2.gz ACQSNIVVQYTPJX-IAGOWNOFSA-N 1 1 341.411 0.264 20 30 ECEDMO CO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(F)(F)F ZINC000819068832 587466858 /nfs/dbraw/zinc/46/68/58/587466858.db2.gz LXTXTFDGJBEWTP-JTQLQIEISA-N 1 1 337.323 0.894 20 30 ECEDMO CON=C(C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1)c1csc(N)n1 ZINC000822489927 587661966 /nfs/dbraw/zinc/66/19/66/587661966.db2.gz KDBDYVACEXEKSS-ONGXEEELSA-N 1 1 341.412 0.721 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000823187492 587708643 /nfs/dbraw/zinc/70/86/43/587708643.db2.gz HAQRBZKBZNFIRV-WDEREUQCSA-N 1 1 340.367 0.281 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000823187492 587708644 /nfs/dbraw/zinc/70/86/44/587708644.db2.gz HAQRBZKBZNFIRV-WDEREUQCSA-N 1 1 340.367 0.281 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000823191669 587708712 /nfs/dbraw/zinc/70/87/12/587708712.db2.gz RPYNYJLVZJLPON-IRXDYDNUSA-N 1 1 335.448 0.921 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccnc(C#N)c1 ZINC000825934644 587974745 /nfs/dbraw/zinc/97/47/45/587974745.db2.gz PIADPMWJIGSOKA-UHFFFAOYSA-N 1 1 338.379 0.503 20 30 ECEDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1 ZINC000826976841 588093598 /nfs/dbraw/zinc/09/35/98/588093598.db2.gz ABABGCVUIBSTFN-CQSZACIVSA-N 1 1 344.419 0.082 20 30 ECEDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1 ZINC000826976829 588093625 /nfs/dbraw/zinc/09/36/25/588093625.db2.gz ABABGCVUIBSTFN-AWEZNQCLSA-N 1 1 344.419 0.082 20 30 ECEDMO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCC[NH+]1CCOCC1 ZINC000844844997 589123524 /nfs/dbraw/zinc/12/35/24/589123524.db2.gz IXBBGLGRURYJJT-KRWDZBQOSA-N 1 1 346.431 0.955 20 30 ECEDMO C[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847405776 589245832 /nfs/dbraw/zinc/24/58/32/589245832.db2.gz BWVQGEHTOXUJKC-LJIGWXMPSA-N 1 1 349.479 0.866 20 30 ECEDMO C[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847405776 589245833 /nfs/dbraw/zinc/24/58/33/589245833.db2.gz BWVQGEHTOXUJKC-LJIGWXMPSA-N 1 1 349.479 0.866 20 30 ECEDMO C#CC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594630 589342197 /nfs/dbraw/zinc/34/21/97/589342197.db2.gz GMGZJZIBXJOYBA-ZACQAIPSSA-N 1 1 332.448 0.734 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CC2(C#N)CCOCC2)CC1 ZINC000850296620 589363615 /nfs/dbraw/zinc/36/36/15/589363615.db2.gz QHQPAETYSMBLPM-CQSZACIVSA-N 1 1 337.420 0.793 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2 ZINC000851792073 589423888 /nfs/dbraw/zinc/42/38/88/589423888.db2.gz HJHGNCLUCRJZCH-UHFFFAOYSA-N 1 1 349.456 0.782 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)N1CCN(C(=O)OCC)CC1 ZINC000852752585 589510084 /nfs/dbraw/zinc/51/00/84/589510084.db2.gz CZDXWMQHCCZUBB-UHFFFAOYSA-N 1 1 325.409 0.259 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)N1CCN(C(=O)OCC)CC1 ZINC000852752585 589510086 /nfs/dbraw/zinc/51/00/86/589510086.db2.gz CZDXWMQHCCZUBB-UHFFFAOYSA-N 1 1 325.409 0.259 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000853713402 589556213 /nfs/dbraw/zinc/55/62/13/589556213.db2.gz QNTGAESASGVDBV-DKASORFFSA-N 1 1 349.435 0.685 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000860197617 589751391 /nfs/dbraw/zinc/75/13/91/589751391.db2.gz XNDJAHWYISBEIU-HOCLYGCPSA-N 1 1 337.445 0.853 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000866675574 589757095 /nfs/dbraw/zinc/75/70/95/589757095.db2.gz OKZQQUMVODMZPY-KGLIPLIRSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000866675574 589757097 /nfs/dbraw/zinc/75/70/97/589757097.db2.gz OKZQQUMVODMZPY-KGLIPLIRSA-N 1 1 339.392 0.839 20 30 ECEDMO CN1CC[NH+](C2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)CC1 ZINC000867816926 589849597 /nfs/dbraw/zinc/84/95/97/589849597.db2.gz OXSDPEKWZKWDHP-UHFFFAOYSA-N 1 1 342.509 0.968 20 30 ECEDMO CC(C)N1CC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1=O ZINC000867927831 589863791 /nfs/dbraw/zinc/86/37/91/589863791.db2.gz PMMZJGWEGBSEST-CVEARBPZSA-N 1 1 326.400 0.871 20 30 ECEDMO CS(=O)(=O)CCCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867981827 589866896 /nfs/dbraw/zinc/86/68/96/589866896.db2.gz YIYNJMOAHWEJGZ-OAHLLOKOSA-N 1 1 335.429 0.686 20 30 ECEDMO C#CC[C@H](COC)NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000863799614 590039361 /nfs/dbraw/zinc/03/93/61/590039361.db2.gz MUCSTVNTMXYHSP-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO Cc1nn(C[C@@H](O)C[N@H+](C)CCC#N)c(C)c1[C@@H]1COCCN1C ZINC000871986698 590095464 /nfs/dbraw/zinc/09/54/64/590095464.db2.gz PAWUAYPOUBYYFH-HOTGVXAUSA-N 1 1 335.452 0.709 20 30 ECEDMO Cc1nn(C[C@@H](O)C[N@@H+](C)CCC#N)c(C)c1[C@@H]1COCCN1C ZINC000871986698 590095467 /nfs/dbraw/zinc/09/54/67/590095467.db2.gz PAWUAYPOUBYYFH-HOTGVXAUSA-N 1 1 335.452 0.709 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cn(C2CC2)cn1 ZINC000872330425 590115163 /nfs/dbraw/zinc/11/51/63/590115163.db2.gz OCJTUXBUDNWCJK-UHFFFAOYSA-N 1 1 336.465 0.738 20 30 ECEDMO C=C(C)C[C@H]1NC(=O)N(C2CC[NH+](CC(=O)NCCC)CC2)C1=O ZINC000865299860 590138142 /nfs/dbraw/zinc/13/81/42/590138142.db2.gz RPFZEWDKEKASCB-CQSZACIVSA-N 1 1 336.436 0.864 20 30 ECEDMO COc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1C#N ZINC000873717541 590197595 /nfs/dbraw/zinc/19/75/95/590197595.db2.gz BAGGRQCISCHJGJ-GFCCVEGCSA-N 1 1 330.388 0.963 20 30 ECEDMO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000873727607 590198765 /nfs/dbraw/zinc/19/87/65/590198765.db2.gz YFIWOHWSVUCGSJ-ZDUSSCGKSA-N 1 1 328.372 0.858 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)nn1CCC#N ZINC000874369782 590236155 /nfs/dbraw/zinc/23/61/55/590236155.db2.gz UXONIAQUEMEWMF-ZIAGYGMSSA-N 1 1 344.419 0.739 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000874989442 590260915 /nfs/dbraw/zinc/26/09/15/590260915.db2.gz GDNVYZIZJYQDNI-KGLIPLIRSA-N 1 1 335.404 0.543 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000875065474 590267272 /nfs/dbraw/zinc/26/72/72/590267272.db2.gz DWMSQJMKYCAPDQ-HZPDHXFCSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000875605800 590315087 /nfs/dbraw/zinc/31/50/87/590315087.db2.gz LGEHGYNOXYSIKE-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000875923199 590346706 /nfs/dbraw/zinc/34/67/06/590346706.db2.gz YIJYSFXPEJFNCK-IAGOWNOFSA-N 1 1 336.480 0.836 20 30 ECEDMO Cn1nnnc1C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000879916087 590350079 /nfs/dbraw/zinc/35/00/79/590350079.db2.gz WPYVSMKVRQIVHU-UHFFFAOYSA-N 1 1 331.424 0.732 20 30 ECEDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876281775 590371012 /nfs/dbraw/zinc/37/10/12/590371012.db2.gz LYHPSPZHCOZUPA-SUMWQHHRSA-N 1 1 328.416 0.733 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876281775 590371015 /nfs/dbraw/zinc/37/10/15/590371015.db2.gz LYHPSPZHCOZUPA-SUMWQHHRSA-N 1 1 328.416 0.733 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(CC(=O)NCC#N)C2)O1 ZINC000880500904 590398698 /nfs/dbraw/zinc/39/86/98/590398698.db2.gz VPNAIRZJLWKZJZ-APWZRJJASA-N 1 1 342.443 0.992 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)cc1 ZINC000880533822 590400624 /nfs/dbraw/zinc/40/06/24/590400624.db2.gz NMACYLAMUHHFAD-BFYDXBDKSA-N 1 1 329.400 0.898 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876756530 590409698 /nfs/dbraw/zinc/40/96/98/590409698.db2.gz UGNDLONUKOLOAJ-NVXWUHKLSA-N 1 1 328.416 0.582 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000876851973 590419281 /nfs/dbraw/zinc/41/92/81/590419281.db2.gz QXUKZQURDLLQPM-SJLPKXTDSA-N 1 1 339.443 0.251 20 30 ECEDMO C#CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C1CSC1 ZINC000878914215 590551741 /nfs/dbraw/zinc/55/17/41/590551741.db2.gz QKLUETJBQMXDRO-UHFFFAOYSA-N 1 1 345.472 0.566 20 30 ECEDMO COc1ccc2ncc(C#N)c(NCC[N@@H+](C)CCOCCO)c2c1 ZINC000882951281 590598766 /nfs/dbraw/zinc/59/87/66/590598766.db2.gz XKPFMOJCYAVIHJ-UHFFFAOYSA-N 1 1 344.415 0.890 20 30 ECEDMO C#C[C@H](CCC)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883601437 590628606 /nfs/dbraw/zinc/62/86/06/590628606.db2.gz XWTAQXFUQJBCHJ-SJORKVTESA-N 1 1 336.480 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCc2nnc3n2CCCCC3)C1 ZINC000884044278 590715331 /nfs/dbraw/zinc/71/53/31/590715331.db2.gz AUSJZYPDFHTQBS-OAHLLOKOSA-N 1 1 344.463 0.944 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2nnc3n2CCCCC3)C1 ZINC000884044278 590715336 /nfs/dbraw/zinc/71/53/36/590715336.db2.gz AUSJZYPDFHTQBS-OAHLLOKOSA-N 1 1 344.463 0.944 20 30 ECEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000885456659 590725528 /nfs/dbraw/zinc/72/55/28/590725528.db2.gz CHOUILRPUQRCSY-HZSPNIEDSA-N 1 1 328.438 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCc2cccc(C(N)=O)c2)C1 ZINC000884116769 590745341 /nfs/dbraw/zinc/74/53/41/590745341.db2.gz FNFYBGWZCOOCRD-INIZCTEOSA-N 1 1 328.416 0.725 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCc2cccc(C(N)=O)c2)C1 ZINC000884116769 590745345 /nfs/dbraw/zinc/74/53/45/590745345.db2.gz FNFYBGWZCOOCRD-INIZCTEOSA-N 1 1 328.416 0.725 20 30 ECEDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885952078 590783840 /nfs/dbraw/zinc/78/38/40/590783840.db2.gz WFGRCQRCCIBREO-KGLIPLIRSA-N 1 1 329.466 0.835 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000884328621 590806961 /nfs/dbraw/zinc/80/69/61/590806961.db2.gz UQGJTGQKAGWVJV-KBMXLJTQSA-N 1 1 335.448 0.908 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886203910 590811963 /nfs/dbraw/zinc/81/19/63/590811963.db2.gz LFMYGVCRKPUYCY-VNHYZAJKSA-N 1 1 325.434 0.258 20 30 ECEDMO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886203910 590811960 /nfs/dbraw/zinc/81/19/60/590811960.db2.gz LFMYGVCRKPUYCY-VNHYZAJKSA-N 1 1 325.434 0.258 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CCc2cccnc21 ZINC000884385147 590817170 /nfs/dbraw/zinc/81/71/70/590817170.db2.gz FQOWTSPQSGMQMM-UHFFFAOYSA-N 1 1 333.461 0.918 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886304294 590828311 /nfs/dbraw/zinc/82/83/11/590828311.db2.gz SYEOUBYKMOMZKJ-KGLIPLIRSA-N 1 1 329.466 0.692 20 30 ECEDMO O=C1N=C(N=NC2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)NC1=O ZINC000884443415 590830279 /nfs/dbraw/zinc/83/02/79/590830279.db2.gz HDGOTEZUPJAFSF-JSGCOSHPSA-N 1 1 325.372 0.629 20 30 ECEDMO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NCCCCC#N)cc1 ZINC000884630648 590878418 /nfs/dbraw/zinc/87/84/18/590878418.db2.gz BKHKNBMKWDRXKC-INIZCTEOSA-N 1 1 344.415 0.978 20 30 ECEDMO C=CCC1(O)CC[NH+](CC(=O)N[C@H](C(=O)NC)c2ccccc2)CC1 ZINC000886766521 590882533 /nfs/dbraw/zinc/88/25/33/590882533.db2.gz LKTRNNUMCWXLKJ-KRWDZBQOSA-N 1 1 345.443 0.993 20 30 ECEDMO N#Cc1cccc(OCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000889774447 591091815 /nfs/dbraw/zinc/09/18/15/591091815.db2.gz OUVAWXFYXLOOQI-IRXDYDNUSA-N 1 1 329.400 0.995 20 30 ECEDMO N#Cc1ccc(OCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000889782991 591094660 /nfs/dbraw/zinc/09/46/60/591094660.db2.gz WIGMUGBRXCDNTI-IRXDYDNUSA-N 1 1 329.400 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N(CCN2CCOCC2)CC2CC2)C1 ZINC000890360973 591151109 /nfs/dbraw/zinc/15/11/09/591151109.db2.gz HFHJYXLKPGMFTR-SFHVURJKSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N(CCN2CCOCC2)CC2CC2)C1 ZINC000890360973 591151112 /nfs/dbraw/zinc/15/11/12/591151112.db2.gz HFHJYXLKPGMFTR-SFHVURJKSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)C1 ZINC000890364794 591152022 /nfs/dbraw/zinc/15/20/22/591152022.db2.gz IRLXXYRLRQQYAT-GOEBONIOSA-N 1 1 346.435 0.215 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)C1 ZINC000890364794 591152025 /nfs/dbraw/zinc/15/20/25/591152025.db2.gz IRLXXYRLRQQYAT-GOEBONIOSA-N 1 1 346.435 0.215 20 30 ECEDMO C#CCOc1ccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000922492556 611352610 /nfs/dbraw/zinc/35/26/10/611352610.db2.gz YBXOYOAMIFYBSU-UHFFFAOYSA-N 1 1 344.458 0.846 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000922629213 611356328 /nfs/dbraw/zinc/35/63/28/611356328.db2.gz WMDSWPPEPPPYCG-WMLDXEAASA-N 1 1 336.436 0.862 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946612868 611364108 /nfs/dbraw/zinc/36/41/08/611364108.db2.gz XHEYPHWKTBBNFM-OAGGEKHMSA-N 1 1 345.443 0.718 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)C)[C@H](OC)C1 ZINC000946672623 611406106 /nfs/dbraw/zinc/40/61/06/611406106.db2.gz JPAHRRWMLLVGIY-QLFBSQMISA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)C)[C@H](OC)C1 ZINC000946672623 611406109 /nfs/dbraw/zinc/40/61/09/611406109.db2.gz JPAHRRWMLLVGIY-QLFBSQMISA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccsn2)CC1 ZINC000947172856 611445936 /nfs/dbraw/zinc/44/59/36/611445936.db2.gz LDMHDRQCJLCROD-HNNXBMFYSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccsn2)CC1 ZINC000947172856 611445937 /nfs/dbraw/zinc/44/59/37/611445937.db2.gz LDMHDRQCJLCROD-HNNXBMFYSA-N 1 1 346.456 0.962 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C(N)=O)CC[C@@H]3C2)s1 ZINC000946751852 611453118 /nfs/dbraw/zinc/45/31/18/611453118.db2.gz HEJIYTZOQIOZPV-TXEJJXNPSA-N 1 1 332.429 0.775 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC000925336404 611471586 /nfs/dbraw/zinc/47/15/86/611471586.db2.gz DFNCWOWBWOBWFK-GDBMZVCRSA-N 1 1 333.436 0.767 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000948280015 611500248 /nfs/dbraw/zinc/50/02/48/611500248.db2.gz VJDONOBEWZDTQW-OAHLLOKOSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000948280015 611500250 /nfs/dbraw/zinc/50/02/50/611500250.db2.gz VJDONOBEWZDTQW-OAHLLOKOSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000931092681 611505886 /nfs/dbraw/zinc/50/58/86/611505886.db2.gz GJGBBFCBEAPMFC-JKSUJKDBSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000931092681 611505888 /nfs/dbraw/zinc/50/58/88/611505888.db2.gz GJGBBFCBEAPMFC-JKSUJKDBSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926142172 611518748 /nfs/dbraw/zinc/51/87/48/611518748.db2.gz NYMZHIBPUQAQCQ-BCDMZGRMSA-N 1 1 333.476 0.680 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H]1C ZINC000947441325 611539358 /nfs/dbraw/zinc/53/93/58/611539358.db2.gz IKAJSUHQURPZFD-GXTWGEPZSA-N 1 1 326.462 0.966 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C ZINC000947454562 611544230 /nfs/dbraw/zinc/54/42/30/611544230.db2.gz LYJDMIFGTHYNQH-ZYHUDNBSSA-N 1 1 327.406 0.696 20 30 ECEDMO COC1(OC)CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1O ZINC000931637507 611559175 /nfs/dbraw/zinc/55/91/75/611559175.db2.gz WDCTWVVZNYWNQF-CVEARBPZSA-N 1 1 345.399 0.719 20 30 ECEDMO COC1(OC)CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1O ZINC000931637507 611559177 /nfs/dbraw/zinc/55/91/77/611559177.db2.gz WDCTWVVZNYWNQF-CVEARBPZSA-N 1 1 345.399 0.719 20 30 ECEDMO COC1(OC)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@H]1O ZINC000931640878 611559597 /nfs/dbraw/zinc/55/95/97/611559597.db2.gz SGEWPBLNGJKNAL-HNNXBMFYSA-N 1 1 333.388 0.230 20 30 ECEDMO COC1(OC)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@H]1O ZINC000931640878 611559599 /nfs/dbraw/zinc/55/95/99/611559599.db2.gz SGEWPBLNGJKNAL-HNNXBMFYSA-N 1 1 333.388 0.230 20 30 ECEDMO COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000931668065 611563956 /nfs/dbraw/zinc/56/39/56/611563956.db2.gz PJTUFPUBLDBMAM-HNNXBMFYSA-N 1 1 333.388 0.542 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1C ZINC000947496657 611566091 /nfs/dbraw/zinc/56/60/91/611566091.db2.gz CSADUBYZZHIPLG-QWRGUYRKSA-N 1 1 327.406 0.696 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C[C@@H]1C ZINC000947523916 611579779 /nfs/dbraw/zinc/57/97/79/611579779.db2.gz KZNBPMCKVZSPKK-DZGCQCFKSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C[C@H]1C ZINC000947548392 611591673 /nfs/dbraw/zinc/59/16/73/611591673.db2.gz ZCMKNEDDTHNOLC-HUUCEWRRSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)C[C@@H]1C ZINC000947561307 611596348 /nfs/dbraw/zinc/59/63/48/611596348.db2.gz YXJJKSPURXZCBL-JSGCOSHPSA-N 1 1 326.404 0.969 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC000948476800 611614340 /nfs/dbraw/zinc/61/43/40/611614340.db2.gz BHSQHARVUJJVHO-CVEARBPZSA-N 1 1 346.431 0.890 20 30 ECEDMO O=C(NCC#CCO)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000923771537 608626840 /nfs/dbraw/zinc/62/68/40/608626840.db2.gz SWFPAUKQQJBSAG-MRXNPFEDSA-N 1 1 333.457 0.899 20 30 ECEDMO O=C(NCC#CCO)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000923771537 608626841 /nfs/dbraw/zinc/62/68/41/608626841.db2.gz SWFPAUKQQJBSAG-MRXNPFEDSA-N 1 1 333.457 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC(=O)NC[C@H]2c2ccccc2)C1 ZINC000924034783 608665185 /nfs/dbraw/zinc/66/51/85/608665185.db2.gz FPFDCGMKENNNAE-SJORKVTESA-N 1 1 340.427 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC(=O)NC[C@H]2c2ccccc2)C1 ZINC000924034783 608665188 /nfs/dbraw/zinc/66/51/88/608665188.db2.gz FPFDCGMKENNNAE-SJORKVTESA-N 1 1 340.427 0.967 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2nonc2C)CC1 ZINC000947228344 608750989 /nfs/dbraw/zinc/75/09/89/608750989.db2.gz NIRNGGPPRVNQDR-AWEZNQCLSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2nonc2C)CC1 ZINC000947228344 608750991 /nfs/dbraw/zinc/75/09/91/608750991.db2.gz NIRNGGPPRVNQDR-AWEZNQCLSA-N 1 1 345.403 0.196 20 30 ECEDMO Cn1cc(C2=NC[C@H](C[NH+]3CCC4(CC3)CC(=O)C=CO4)O2)cn1 ZINC000933644577 608766875 /nfs/dbraw/zinc/76/68/75/608766875.db2.gz BDTULJSIKBGBMN-OAHLLOKOSA-N 1 1 330.388 0.903 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H](C)C2)c1 ZINC000947711435 611663169 /nfs/dbraw/zinc/66/31/69/611663169.db2.gz WFSVDILTHQIMGW-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cncnc2)CC1 ZINC000947230414 608813763 /nfs/dbraw/zinc/81/37/63/608813763.db2.gz PRJJBXXSHVPOID-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cncnc2)CC1 ZINC000947230414 608813766 /nfs/dbraw/zinc/81/37/66/608813766.db2.gz PRJJBXXSHVPOID-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000947230449 608821370 /nfs/dbraw/zinc/82/13/70/608821370.db2.gz RKWQCSFQSGTBLW-INIZCTEOSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000947230449 608821372 /nfs/dbraw/zinc/82/13/72/608821372.db2.gz RKWQCSFQSGTBLW-INIZCTEOSA-N 1 1 344.415 0.801 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C ZINC000947711226 608930457 /nfs/dbraw/zinc/93/04/57/608930457.db2.gz UDHGCKKUUHBDRI-MNOVXSKESA-N 1 1 341.437 0.216 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937181959 609021159 /nfs/dbraw/zinc/02/11/59/609021159.db2.gz VSQBYWBVTODMPO-GXTWGEPZSA-N 1 1 329.404 0.511 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937197501 609034311 /nfs/dbraw/zinc/03/43/11/609034311.db2.gz IGFNOAQZZGAYOS-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000937777867 609070571 /nfs/dbraw/zinc/07/05/71/609070571.db2.gz HVHSNPTUZVYIRY-DLBZAZTESA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000937777867 609070575 /nfs/dbraw/zinc/07/05/75/609070575.db2.gz HVHSNPTUZVYIRY-DLBZAZTESA-N 1 1 341.411 0.329 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC[N@@H+](C)C1 ZINC000932897418 611683052 /nfs/dbraw/zinc/68/30/52/611683052.db2.gz BYFLNTFOKLEWDO-UWVGGRQHSA-N 1 1 336.314 0.577 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000937842469 609116288 /nfs/dbraw/zinc/11/62/88/609116288.db2.gz WXBIMNSXYPFWDC-KWCYVHTRSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C ZINC000947796552 611695134 /nfs/dbraw/zinc/69/51/34/611695134.db2.gz OKRUNQAZVLECJS-HUUCEWRRSA-N 1 1 346.435 0.171 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000937977357 609429292 /nfs/dbraw/zinc/42/92/92/609429292.db2.gz PQOGQGADLJLQMJ-SJORKVTESA-N 1 1 325.412 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ocnc2CC)C1 ZINC000938170070 609481311 /nfs/dbraw/zinc/48/13/11/609481311.db2.gz CPJMRGJLNKMWDG-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ocnc2CC)C1 ZINC000938170070 609481313 /nfs/dbraw/zinc/48/13/13/609481313.db2.gz CPJMRGJLNKMWDG-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC000938170879 609482352 /nfs/dbraw/zinc/48/23/52/609482352.db2.gz QTLOVXHAWSGZOA-STQMWFEESA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC000938170879 609482354 /nfs/dbraw/zinc/48/23/54/609482354.db2.gz QTLOVXHAWSGZOA-STQMWFEESA-N 1 1 339.386 0.846 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000907851764 609626169 /nfs/dbraw/zinc/62/61/69/609626169.db2.gz CDFSUGWGGDRBDC-DOTOQJQBSA-N 1 1 329.404 0.057 20 30 ECEDMO N#C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000924025011 609665932 /nfs/dbraw/zinc/66/59/32/609665932.db2.gz JSZWBPWMLCMGMO-DLBZAZTESA-N 1 1 349.479 0.728 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000920116525 609674082 /nfs/dbraw/zinc/67/40/82/609674082.db2.gz CWUFLWAMDWYGKY-CGTJXYLNSA-N 1 1 345.443 0.959 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000920116525 609674084 /nfs/dbraw/zinc/67/40/84/609674084.db2.gz CWUFLWAMDWYGKY-CGTJXYLNSA-N 1 1 345.443 0.959 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[N@H+]1C ZINC000920411739 609681429 /nfs/dbraw/zinc/68/14/29/609681429.db2.gz JMIDKZVTMJIOMG-KYEXWDHISA-N 1 1 340.449 0.049 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 ZINC000921439737 609717108 /nfs/dbraw/zinc/71/71/08/609717108.db2.gz JHJJPKQLJKQSRN-UHFFFAOYSA-N 1 1 349.412 0.507 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C2)CC1 ZINC000948071398 609721318 /nfs/dbraw/zinc/72/13/18/609721318.db2.gz XTADKAOFNOWEEN-RDJZCZTQSA-N 1 1 348.491 0.389 20 30 ECEDMO C#CCSCCNC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000175218186 609721871 /nfs/dbraw/zinc/72/18/71/609721871.db2.gz ICOBEONIDXIZJZ-OAHLLOKOSA-N 1 1 326.510 0.926 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C[C@H]1C ZINC000947761873 609734456 /nfs/dbraw/zinc/73/44/56/609734456.db2.gz RHWJPVHGQORCNY-UKRRQHHQSA-N 1 1 326.462 0.804 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000938322424 609736031 /nfs/dbraw/zinc/73/60/31/609736031.db2.gz SMKHICZDLXLBOB-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC000938437621 609792899 /nfs/dbraw/zinc/79/28/99/609792899.db2.gz MORHOAXJYCMSPA-ZFWWWQNUSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC000938437621 609792901 /nfs/dbraw/zinc/79/29/01/609792901.db2.gz MORHOAXJYCMSPA-ZFWWWQNUSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC000938476351 609807790 /nfs/dbraw/zinc/80/77/90/609807790.db2.gz PDKWSTAMAYRJNX-AAEUAGOBSA-N 1 1 348.428 0.277 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC000938476351 609807791 /nfs/dbraw/zinc/80/77/91/609807791.db2.gz PDKWSTAMAYRJNX-AAEUAGOBSA-N 1 1 348.428 0.277 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000913684129 609810680 /nfs/dbraw/zinc/81/06/80/609810680.db2.gz HOGKIZRDALHROZ-JMLCCBQJSA-N 1 1 332.448 0.939 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000948110442 609815294 /nfs/dbraw/zinc/81/52/94/609815294.db2.gz YYUUHRVLTOXMOT-HIFRSBDPSA-N 1 1 336.436 0.362 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000948110442 609815296 /nfs/dbraw/zinc/81/52/96/609815296.db2.gz YYUUHRVLTOXMOT-HIFRSBDPSA-N 1 1 336.436 0.362 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000913761148 609820325 /nfs/dbraw/zinc/82/03/25/609820325.db2.gz ZKUFMCWXQSDWCP-QAPCUYQASA-N 1 1 346.406 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC000938520544 609848312 /nfs/dbraw/zinc/84/83/12/609848312.db2.gz VQYIIWMUIVBRPO-KBPBESRZSA-N 1 1 345.399 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC000938520544 609848313 /nfs/dbraw/zinc/84/83/13/609848313.db2.gz VQYIIWMUIVBRPO-KBPBESRZSA-N 1 1 345.399 0.717 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000938536774 609854504 /nfs/dbraw/zinc/85/45/04/609854504.db2.gz GLIDRYFDWNARLG-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)NCC)c2)C1 ZINC000923597226 609920276 /nfs/dbraw/zinc/92/02/76/609920276.db2.gz LVMXNKSGBDPEFP-HNNXBMFYSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)NCC)c2)C1 ZINC000923597226 609920279 /nfs/dbraw/zinc/92/02/79/609920279.db2.gz LVMXNKSGBDPEFP-HNNXBMFYSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)CC1 ZINC000912590884 609973680 /nfs/dbraw/zinc/97/36/80/609973680.db2.gz HAZQCXMXMXSKHN-UHFFFAOYSA-N 1 1 335.492 0.931 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cccn2C)C1 ZINC000938756388 609982136 /nfs/dbraw/zinc/98/21/36/609982136.db2.gz OKNXHRCUTTZPQE-WBVHZDCISA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cccn2C)C1 ZINC000938756388 609982138 /nfs/dbraw/zinc/98/21/38/609982138.db2.gz OKNXHRCUTTZPQE-WBVHZDCISA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2nonc2C)C1 ZINC000938783409 610006058 /nfs/dbraw/zinc/00/60/58/610006058.db2.gz GYVLVGRNERPSDX-KBPBESRZSA-N 1 1 345.403 0.149 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2nonc2C)C1 ZINC000938783409 610006062 /nfs/dbraw/zinc/00/60/62/610006062.db2.gz GYVLVGRNERPSDX-KBPBESRZSA-N 1 1 345.403 0.149 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000919598236 610050659 /nfs/dbraw/zinc/05/06/59/610050659.db2.gz USFWEWRHDIKLRO-AWEZNQCLSA-N 1 1 346.497 0.755 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000919598236 610050661 /nfs/dbraw/zinc/05/06/61/610050661.db2.gz USFWEWRHDIKLRO-AWEZNQCLSA-N 1 1 346.497 0.755 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000939120606 610085875 /nfs/dbraw/zinc/08/58/75/610085875.db2.gz MRIPSAVCKPUUCR-WQVCFCJDSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000939700100 610091502 /nfs/dbraw/zinc/09/15/02/610091502.db2.gz PRWMTGHNIXHTIV-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)nn1 ZINC000939277359 610146715 /nfs/dbraw/zinc/14/67/15/610146715.db2.gz ORJYCABWUJQWHS-ZYHUDNBSSA-N 1 1 330.396 0.141 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940062480 610198771 /nfs/dbraw/zinc/19/87/71/610198771.db2.gz BTAVARWBPPHBMB-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000939515695 610224804 /nfs/dbraw/zinc/22/48/04/610224804.db2.gz QKIRMRKWQPHXGJ-KFWWJZLASA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000939515695 610224805 /nfs/dbraw/zinc/22/48/05/610224805.db2.gz QKIRMRKWQPHXGJ-KFWWJZLASA-N 1 1 343.431 0.013 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)C1 ZINC000941427281 610301439 /nfs/dbraw/zinc/30/14/39/610301439.db2.gz TYHVAAXGHMAMJU-UHFFFAOYSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC000941423488 610308188 /nfs/dbraw/zinc/30/81/88/610308188.db2.gz ZXXSRXCCKLCVOX-INIZCTEOSA-N 1 1 346.475 0.095 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)C1 ZINC000941429072 610310868 /nfs/dbraw/zinc/31/08/68/610310868.db2.gz YXYVEOXQVSBDFN-UHFFFAOYSA-N 1 1 329.448 0.926 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 ZINC000941431268 610312232 /nfs/dbraw/zinc/31/22/32/610312232.db2.gz MFIQGQFQIYIOSS-UHFFFAOYSA-N 1 1 327.432 0.295 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccnc4ccnn43)CC2)C1 ZINC000941432778 610313180 /nfs/dbraw/zinc/31/31/80/610313180.db2.gz GKMHQLLCXCWGHW-UHFFFAOYSA-N 1 1 326.404 0.357 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnn4ncccc34)CC2)C1 ZINC000941440186 610316482 /nfs/dbraw/zinc/31/64/82/610316482.db2.gz BNZBBWCERJQTNY-UHFFFAOYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N[C@@H](C)C3)CC2)C1 ZINC000941468097 610328514 /nfs/dbraw/zinc/32/85/14/610328514.db2.gz MMHWLAPUNZUHGR-GJZGRUSLSA-N 1 1 334.464 0.306 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(CC)[nH]c(=O)c3)CC2)C1 ZINC000941490273 610340039 /nfs/dbraw/zinc/34/00/39/610340039.db2.gz WXYXZVMFOCRTKE-UHFFFAOYSA-N 1 1 342.443 0.815 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3ccc(=O)[nH]c3)CC2)C1 ZINC000941531690 610363194 /nfs/dbraw/zinc/36/31/94/610363194.db2.gz FHXRLBXCFCAJGJ-UHFFFAOYSA-N 1 1 342.443 0.572 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](C)C1 ZINC000942259791 610364750 /nfs/dbraw/zinc/36/47/50/610364750.db2.gz UKDPWPGVGMJDQA-RYUDHWBXSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(C)nc(OC)c3)CC2)C1 ZINC000941536659 610366887 /nfs/dbraw/zinc/36/68/87/610366887.db2.gz AGVWYOSZGQXAMT-UHFFFAOYSA-N 1 1 342.443 0.864 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)CC2)C1 ZINC000941537730 610367193 /nfs/dbraw/zinc/36/71/93/610367193.db2.gz NFTYKVUGEYFRCM-OAHLLOKOSA-N 1 1 344.463 0.629 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC000942275190 610376455 /nfs/dbraw/zinc/37/64/55/610376455.db2.gz PTKWNNQEGXYKEP-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC000942275190 610376456 /nfs/dbraw/zinc/37/64/56/610376456.db2.gz PTKWNNQEGXYKEP-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H](C)C1 ZINC000942288731 610381532 /nfs/dbraw/zinc/38/15/32/610381532.db2.gz SAMMGHSWZBVKGZ-TZMCWYRMSA-N 1 1 342.399 0.876 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000941592299 610388377 /nfs/dbraw/zinc/38/83/77/610388377.db2.gz GMNJELJRJUROTQ-HOTGVXAUSA-N 1 1 348.491 0.683 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H](C)C1 ZINC000942315180 610393079 /nfs/dbraw/zinc/39/30/79/610393079.db2.gz SOXGZENCLZDBKP-GDBMZVCRSA-N 1 1 332.448 0.835 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H](C)C1 ZINC000942315180 610393077 /nfs/dbraw/zinc/39/30/77/610393077.db2.gz SOXGZENCLZDBKP-GDBMZVCRSA-N 1 1 332.448 0.835 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn[nH]n3)C(C)(C)C2)C1=O ZINC000940858394 610408879 /nfs/dbraw/zinc/40/88/79/610408879.db2.gz MJZHEIYSIQAMJZ-KGLIPLIRSA-N 1 1 346.435 0.422 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000940858394 610408880 /nfs/dbraw/zinc/40/88/80/610408880.db2.gz MJZHEIYSIQAMJZ-KGLIPLIRSA-N 1 1 346.435 0.422 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000940858394 610408882 /nfs/dbraw/zinc/40/88/82/610408882.db2.gz MJZHEIYSIQAMJZ-KGLIPLIRSA-N 1 1 346.435 0.422 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@H](C)N3CCCC3=O)CC2)C1 ZINC000941636169 610422166 /nfs/dbraw/zinc/42/21/66/610422166.db2.gz DXQIKVXFWLLSGU-INIZCTEOSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC000942434761 610460024 /nfs/dbraw/zinc/46/00/24/610460024.db2.gz LJZYJGFCGGTRGZ-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](C)C1 ZINC000942548632 610508658 /nfs/dbraw/zinc/50/86/58/610508658.db2.gz WJINQLYHZDEXAA-DGCLKSJQSA-N 1 1 344.423 0.710 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562380 610518037 /nfs/dbraw/zinc/51/80/37/610518037.db2.gz KQPZNHATXMXEKG-SWLSCSKDSA-N 1 1 339.403 0.722 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C2)cc1C#N ZINC000942592287 610526775 /nfs/dbraw/zinc/52/67/75/610526775.db2.gz VJJRMHRFYFTADU-SMDDNHRTSA-N 1 1 330.388 0.379 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](C)C2)cc1C#N ZINC000942592284 610526880 /nfs/dbraw/zinc/52/68/80/610526880.db2.gz VJJRMHRFYFTADU-BXUZGUMPSA-N 1 1 330.388 0.379 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)CC1(C)C ZINC000941090681 610531174 /nfs/dbraw/zinc/53/11/74/610531174.db2.gz JHNLEIGLIJNZKO-DZKIICNBSA-N 1 1 337.464 0.930 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)CC1(C)C ZINC000941090681 610531176 /nfs/dbraw/zinc/53/11/76/610531176.db2.gz JHNLEIGLIJNZKO-DZKIICNBSA-N 1 1 337.464 0.930 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941090283 610531498 /nfs/dbraw/zinc/53/14/98/610531498.db2.gz BZABTPFIHBXOCC-KBPBESRZSA-N 1 1 343.493 0.813 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000941090709 610531907 /nfs/dbraw/zinc/53/19/07/610531907.db2.gz JWKRXUSRNZHZRL-XYEKJYRLSA-N 1 1 346.431 0.215 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000941883436 610541772 /nfs/dbraw/zinc/54/17/72/610541772.db2.gz QFBYHRYGOVZDQI-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nc3ncccn3n2)C(C)(C)C1 ZINC000941114161 610558274 /nfs/dbraw/zinc/55/82/74/610558274.db2.gz WEZRCJBTRFANJD-CYBMUJFWSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(=O)NC)n2)C(C)(C)C1 ZINC000941192134 610586604 /nfs/dbraw/zinc/58/66/04/610586604.db2.gz YEZNGDZQOZPERP-HNNXBMFYSA-N 1 1 328.416 0.905 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941211170 610597642 /nfs/dbraw/zinc/59/76/42/610597642.db2.gz NUZYKBNIHKWIRN-CYBMUJFWSA-N 1 1 334.420 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC000941241142 610613672 /nfs/dbraw/zinc/61/36/72/610613672.db2.gz VCMXWIXKERDPMW-KGLIPLIRSA-N 1 1 345.399 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC000941241142 610613673 /nfs/dbraw/zinc/61/36/73/610613673.db2.gz VCMXWIXKERDPMW-KGLIPLIRSA-N 1 1 345.399 0.717 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN([C@H](C)C(N)=O)CC2(C)C)CC1 ZINC000941237408 610620770 /nfs/dbraw/zinc/62/07/70/610620770.db2.gz MVHFIIXDANVXTI-GDBMZVCRSA-N 1 1 348.491 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000941237805 610621306 /nfs/dbraw/zinc/62/13/06/610621306.db2.gz KDDSZFYNIZCUSL-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000941237805 610621308 /nfs/dbraw/zinc/62/13/08/610621308.db2.gz KDDSZFYNIZCUSL-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC000941237970 610621399 /nfs/dbraw/zinc/62/13/99/610621399.db2.gz NOXPWULSNRCBQK-CABCVRRESA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC000941237970 610621402 /nfs/dbraw/zinc/62/14/02/610621402.db2.gz NOXPWULSNRCBQK-CABCVRRESA-N 1 1 328.416 0.751 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](C)C1 ZINC000942061040 610637591 /nfs/dbraw/zinc/63/75/91/610637591.db2.gz HVRSKAJFXFIRND-STQMWFEESA-N 1 1 334.424 0.170 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H](C)C1 ZINC000942175257 610686353 /nfs/dbraw/zinc/68/63/53/610686353.db2.gz HMLCUOBZAWRVES-ZFWWWQNUSA-N 1 1 338.473 0.661 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@@H](C)C1 ZINC000942179897 610688967 /nfs/dbraw/zinc/68/89/67/610688967.db2.gz DJDAXGQWHZFXGU-DZGCQCFKSA-N 1 1 328.416 0.573 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1C ZINC000947900681 610694272 /nfs/dbraw/zinc/69/42/72/610694272.db2.gz URGRFFGNVMBJTN-LSDHHAIUSA-N 1 1 345.447 0.374 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H](C)C1 ZINC000942209063 610697485 /nfs/dbraw/zinc/69/74/85/610697485.db2.gz SXODLECNWOIQGC-ZIAGYGMSSA-N 1 1 342.403 0.783 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000948424705 610708173 /nfs/dbraw/zinc/70/81/73/610708173.db2.gz JXEGWZWTKAYDOE-AWEZNQCLSA-N 1 1 334.420 0.046 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@H](OC)C2)C1 ZINC000941378414 610708409 /nfs/dbraw/zinc/70/84/09/610708409.db2.gz XVZIOFXNOBLFLC-QLFBSQMISA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408649 610722818 /nfs/dbraw/zinc/72/28/18/610722818.db2.gz OPIVEGNMORXXTA-IAGOWNOFSA-N 1 1 330.476 0.322 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000943198378 610743903 /nfs/dbraw/zinc/74/39/03/610743903.db2.gz IGOOAPUXESRSPL-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000943239483 610762976 /nfs/dbraw/zinc/76/29/76/610762976.db2.gz OXODWVPFZPDSTR-CABCVRRESA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000943239483 610762980 /nfs/dbraw/zinc/76/29/80/610762980.db2.gz OXODWVPFZPDSTR-CABCVRRESA-N 1 1 343.431 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2C)cn1 ZINC000944215232 610787341 /nfs/dbraw/zinc/78/73/41/610787341.db2.gz RBUUOMNISQPARZ-WMLDXEAASA-N 1 1 338.415 0.795 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2ncc[nH]2)C1 ZINC000943336782 610807569 /nfs/dbraw/zinc/80/75/69/610807569.db2.gz MXALOWPLUXQJMT-CABCVRRESA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2ncc[nH]2)C1 ZINC000943336782 610807570 /nfs/dbraw/zinc/80/75/70/610807570.db2.gz MXALOWPLUXQJMT-CABCVRRESA-N 1 1 343.431 0.618 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2C)cc1 ZINC000943464675 610851408 /nfs/dbraw/zinc/85/14/08/610851408.db2.gz IVYPLHKKRNZWDO-XJKSGUPXSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2C)cc1 ZINC000943464675 610851409 /nfs/dbraw/zinc/85/14/09/610851409.db2.gz IVYPLHKKRNZWDO-XJKSGUPXSA-N 1 1 329.400 0.624 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cncn3C)C[C@@H]2C)nn1 ZINC000943482901 610869258 /nfs/dbraw/zinc/86/92/58/610869258.db2.gz REWQDAYGXOBJAK-ZFWWWQNUSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2C)nn1 ZINC000943483588 610869775 /nfs/dbraw/zinc/86/97/75/610869775.db2.gz YHKHIFUMLBIUPZ-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)c2ccco2)C1 ZINC000944449300 610872219 /nfs/dbraw/zinc/87/22/19/610872219.db2.gz DAVDFBLUHDBHGI-CABCVRRESA-N 1 1 345.399 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)c2ccco2)C1 ZINC000944449300 610872221 /nfs/dbraw/zinc/87/22/21/610872221.db2.gz DAVDFBLUHDBHGI-CABCVRRESA-N 1 1 345.399 0.334 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](C)C1 ZINC000943513819 610881129 /nfs/dbraw/zinc/88/11/29/610881129.db2.gz AHROYQRQSLOAPX-HUUCEWRRSA-N 1 1 346.435 0.029 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C(F)(F)F)[C@H](C)C1 ZINC000943499229 610884714 /nfs/dbraw/zinc/88/47/14/610884714.db2.gz SBCOOVWBIJNJMP-NXEZZACHSA-N 1 1 329.326 0.907 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000945036097 610890731 /nfs/dbraw/zinc/89/07/31/610890731.db2.gz WMYHFABHRSMBNF-RRFJBIMHSA-N 1 1 348.447 0.316 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000945036097 610890732 /nfs/dbraw/zinc/89/07/32/610890732.db2.gz WMYHFABHRSMBNF-RRFJBIMHSA-N 1 1 348.447 0.316 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(C)on2)CC1 ZINC000943955543 611055557 /nfs/dbraw/zinc/05/55/57/611055557.db2.gz LBKKYJVAELHRKM-INIZCTEOSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(C)on2)CC1 ZINC000943955543 611055558 /nfs/dbraw/zinc/05/55/58/611055558.db2.gz LBKKYJVAELHRKM-INIZCTEOSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2CCC2)CCO1 ZINC000944648031 611056983 /nfs/dbraw/zinc/05/69/83/611056983.db2.gz RUBSAIPOUZFAFJ-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2CCC2)CCO1 ZINC000944648031 611056986 /nfs/dbraw/zinc/05/69/86/611056986.db2.gz RUBSAIPOUZFAFJ-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 ZINC000944652258 611060262 /nfs/dbraw/zinc/06/02/62/611060262.db2.gz HSAUNWIIVCVANU-CHWSQXEVSA-N 1 1 336.436 0.720 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](C)C1 ZINC000944034601 611098243 /nfs/dbraw/zinc/09/82/43/611098243.db2.gz VZZHCVMHVZYAEL-LSDHHAIUSA-N 1 1 347.463 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc[nH]c1 ZINC000944069348 611111894 /nfs/dbraw/zinc/11/18/94/611111894.db2.gz VAWADDQYKUCFJZ-CVEARBPZSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc[nH]c1 ZINC000944069348 611111895 /nfs/dbraw/zinc/11/18/95/611111895.db2.gz VAWADDQYKUCFJZ-CVEARBPZSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC000944101677 611124595 /nfs/dbraw/zinc/12/45/95/611124595.db2.gz YLODDYOHLGBGHJ-MCIONIFRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC000944101677 611124596 /nfs/dbraw/zinc/12/45/96/611124596.db2.gz YLODDYOHLGBGHJ-MCIONIFRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ocnc2C)CC1 ZINC000946010754 611196370 /nfs/dbraw/zinc/19/63/70/611196370.db2.gz PNVPEIVSLPQDNG-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ocnc2C)CC1 ZINC000946010754 611196372 /nfs/dbraw/zinc/19/63/72/611196372.db2.gz PNVPEIVSLPQDNG-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC[C@@H]2C1 ZINC000946880929 611220766 /nfs/dbraw/zinc/22/07/66/611220766.db2.gz LNUILYXLEWNTBT-OKILXGFUSA-N 1 1 348.447 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c(C)nc3ccccc3c2=O)C1 ZINC000923561727 611262635 /nfs/dbraw/zinc/26/26/35/611262635.db2.gz KISCVWKJHONHJF-OAHLLOKOSA-N 1 1 338.411 0.919 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c(C)nc3ccccc3c2=O)C1 ZINC000923561727 611262636 /nfs/dbraw/zinc/26/26/36/611262636.db2.gz KISCVWKJHONHJF-OAHLLOKOSA-N 1 1 338.411 0.919 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CS3)C1 ZINC000923565360 611264084 /nfs/dbraw/zinc/26/40/84/611264084.db2.gz ACYBFBHMMOGODO-LBPRGKRZSA-N 1 1 330.413 0.953 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CS3)C1 ZINC000923565360 611264086 /nfs/dbraw/zinc/26/40/86/611264086.db2.gz ACYBFBHMMOGODO-LBPRGKRZSA-N 1 1 330.413 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc3sccc3c2=O)C1 ZINC000923592597 611271533 /nfs/dbraw/zinc/27/15/33/611271533.db2.gz ZAUQZOBCBWGXPO-GFCCVEGCSA-N 1 1 330.413 0.672 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cnc3sccc3c2=O)C1 ZINC000923592597 611271535 /nfs/dbraw/zinc/27/15/35/611271535.db2.gz ZAUQZOBCBWGXPO-GFCCVEGCSA-N 1 1 330.413 0.672 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC000947944638 611281299 /nfs/dbraw/zinc/28/12/99/611281299.db2.gz XISNPVQQJQEZOR-CHWSQXEVSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC000947944638 611281300 /nfs/dbraw/zinc/28/13/00/611281300.db2.gz XISNPVQQJQEZOR-CHWSQXEVSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000834549411 611291917 /nfs/dbraw/zinc/29/19/17/611291917.db2.gz CUIOVJSLFPYPRO-INIZCTEOSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000834727420 611298380 /nfs/dbraw/zinc/29/83/80/611298380.db2.gz JRXTXIKODVUWQI-CYBMUJFWSA-N 1 1 331.420 0.364 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)CC[C@@H]2C1 ZINC000946521408 611299041 /nfs/dbraw/zinc/29/90/41/611299041.db2.gz RARZBBVIRUGOJL-RFQIPJPRSA-N 1 1 331.424 0.601 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000842032970 611311816 /nfs/dbraw/zinc/31/18/16/611311816.db2.gz LMEUUPNGHGDVKV-GOSISDBHSA-N 1 1 348.406 0.852 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)NCCCCC[NH+]2CCNCC2)c1 ZINC000923683618 611342190 /nfs/dbraw/zinc/34/21/90/611342190.db2.gz PWFXFCUWTWXVND-UHFFFAOYSA-N 1 1 336.461 0.912 20 30 ECEDMO CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933651796 611738763 /nfs/dbraw/zinc/73/87/63/611738763.db2.gz CAACPBAGUPAPJP-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000948962015 611773338 /nfs/dbraw/zinc/77/33/38/611773338.db2.gz NUQPQQURBFUETD-IXDOHACOSA-N 1 1 325.412 0.847 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929752059 611789935 /nfs/dbraw/zinc/78/99/35/611789935.db2.gz FHFAURZKAPRNQP-OLZOCXBDSA-N 1 1 343.518 0.718 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000929752059 611789939 /nfs/dbraw/zinc/78/99/39/611789939.db2.gz FHFAURZKAPRNQP-OLZOCXBDSA-N 1 1 343.518 0.718 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+](CCO)CCN2CCOCC2)cc1 ZINC000929777820 611792231 /nfs/dbraw/zinc/79/22/31/611792231.db2.gz PNTZFJOMNLSQJJ-UHFFFAOYSA-N 1 1 345.443 0.623 20 30 ECEDMO N#CCN1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC000949095334 611852391 /nfs/dbraw/zinc/85/23/91/611852391.db2.gz HXJNQYPSDTZLMJ-HZPDHXFCSA-N 1 1 348.447 0.067 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1CC(F)(F)C1 ZINC000950755657 611891316 /nfs/dbraw/zinc/89/13/16/611891316.db2.gz QXDFCRQUNSQZFF-KBPBESRZSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1CC(F)(F)C1 ZINC000950755657 611891317 /nfs/dbraw/zinc/89/13/17/611891317.db2.gz QXDFCRQUNSQZFF-KBPBESRZSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccn(C)c1 ZINC000950755726 611891439 /nfs/dbraw/zinc/89/14/39/611891439.db2.gz SJVNWTFFQXFDRI-HOTGVXAUSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccn(C)c1 ZINC000950755726 611891440 /nfs/dbraw/zinc/89/14/40/611891440.db2.gz SJVNWTFFQXFDRI-HOTGVXAUSA-N 1 1 328.416 0.453 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950764110 611896207 /nfs/dbraw/zinc/89/62/07/611896207.db2.gz IVSMEMDQEZZDCV-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950764110 611896209 /nfs/dbraw/zinc/89/62/09/611896209.db2.gz IVSMEMDQEZZDCV-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000949243992 611917391 /nfs/dbraw/zinc/91/73/91/611917391.db2.gz UBDFOWRYHYROLZ-IRXDYDNUSA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000949243992 611917394 /nfs/dbraw/zinc/91/73/94/611917394.db2.gz UBDFOWRYHYROLZ-IRXDYDNUSA-N 1 1 341.411 0.329 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000949244080 611917751 /nfs/dbraw/zinc/91/77/51/611917751.db2.gz VTPAYSAKOLYQAJ-GDBMZVCRSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000949244080 611917753 /nfs/dbraw/zinc/91/77/53/611917753.db2.gz VTPAYSAKOLYQAJ-GDBMZVCRSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)CCn3cncn3)CC2)C1 ZINC000949298974 611931919 /nfs/dbraw/zinc/93/19/19/611931919.db2.gz VCIVDYUEPNEMSJ-UHFFFAOYSA-N 1 1 333.436 0.938 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](CCCO)CCO3)[nH]1 ZINC000949338566 611943842 /nfs/dbraw/zinc/94/38/42/611943842.db2.gz PGTVDXBSLYEHDV-UHFFFAOYSA-N 1 1 332.404 0.576 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370412 611954739 /nfs/dbraw/zinc/95/47/39/611954739.db2.gz RFHCMXZMMOKECI-DLBZAZTESA-N 1 1 347.459 0.176 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)no1 ZINC000950874243 611960751 /nfs/dbraw/zinc/96/07/51/611960751.db2.gz IBTUSMIHMKBIGU-CYBMUJFWSA-N 1 1 330.388 0.480 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949395646 611963526 /nfs/dbraw/zinc/96/35/26/611963526.db2.gz XQOURJDOFKYURT-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949395646 611963528 /nfs/dbraw/zinc/96/35/28/611963528.db2.gz XQOURJDOFKYURT-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccns1 ZINC000950307226 611964809 /nfs/dbraw/zinc/96/48/09/611964809.db2.gz GZGJXHVFTLLYAJ-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccns1 ZINC000950307226 611964811 /nfs/dbraw/zinc/96/48/11/611964811.db2.gz GZGJXHVFTLLYAJ-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ocnc2C)C1 ZINC000950309769 611965861 /nfs/dbraw/zinc/96/58/61/611965861.db2.gz HEXLVGSQUJQZDE-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ocnc2C)C1 ZINC000950309769 611965863 /nfs/dbraw/zinc/96/58/63/611965863.db2.gz HEXLVGSQUJQZDE-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)C1 ZINC000949429914 611976996 /nfs/dbraw/zinc/97/69/96/611976996.db2.gz INDGEJIQUYFHNE-GJZGRUSLSA-N 1 1 333.432 0.215 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC000949507385 612013647 /nfs/dbraw/zinc/01/36/47/612013647.db2.gz ZRJPUONNIXMXPZ-UHFFFAOYSA-N 1 1 344.415 0.816 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC000949507385 612013649 /nfs/dbraw/zinc/01/36/49/612013649.db2.gz ZRJPUONNIXMXPZ-UHFFFAOYSA-N 1 1 344.415 0.816 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC000949512324 612015885 /nfs/dbraw/zinc/01/58/85/612015885.db2.gz XNIRLASORPYGCL-AWEZNQCLSA-N 1 1 345.447 0.789 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC000949512324 612015887 /nfs/dbraw/zinc/01/58/87/612015887.db2.gz XNIRLASORPYGCL-AWEZNQCLSA-N 1 1 345.447 0.789 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C[C@H](C)O)CCO3)cn1 ZINC000949515374 612017422 /nfs/dbraw/zinc/01/74/22/612017422.db2.gz OHNOBDRNMGIUBN-HNNXBMFYSA-N 1 1 343.427 0.751 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC000949537012 612025126 /nfs/dbraw/zinc/02/51/26/612025126.db2.gz WHNFAAGSRXMWRC-UHFFFAOYSA-N 1 1 345.447 0.464 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC000949537012 612025128 /nfs/dbraw/zinc/02/51/28/612025128.db2.gz WHNFAAGSRXMWRC-UHFFFAOYSA-N 1 1 345.447 0.464 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC000949537034 612025381 /nfs/dbraw/zinc/02/53/81/612025381.db2.gz XAMUQFRNCNUCFP-UHFFFAOYSA-N 1 1 333.436 0.627 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC000949537034 612025383 /nfs/dbraw/zinc/02/53/83/612025383.db2.gz XAMUQFRNCNUCFP-UHFFFAOYSA-N 1 1 333.436 0.627 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950476443 612034287 /nfs/dbraw/zinc/03/42/87/612034287.db2.gz ATIRTNNKFDXJTI-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950481640 612035112 /nfs/dbraw/zinc/03/51/12/612035112.db2.gz DRSHPANKKYCSIS-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H](C)c2nncn2C)C1 ZINC000950534438 612058062 /nfs/dbraw/zinc/05/80/62/612058062.db2.gz UZQPBRZSTMUPLB-HOCLYGCPSA-N 1 1 344.463 0.506 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H](C)c2nncn2C)C1 ZINC000950534438 612058064 /nfs/dbraw/zinc/05/80/64/612058064.db2.gz UZQPBRZSTMUPLB-HOCLYGCPSA-N 1 1 344.463 0.506 20 30 ECEDMO C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000949741924 612071546 /nfs/dbraw/zinc/07/15/46/612071546.db2.gz MISWBPDODWDHKJ-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000951223358 612087920 /nfs/dbraw/zinc/08/79/20/612087920.db2.gz FIQJYIRHXVHKPB-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000951223358 612087923 /nfs/dbraw/zinc/08/79/23/612087923.db2.gz FIQJYIRHXVHKPB-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccncn2)C1 ZINC000951223325 612088105 /nfs/dbraw/zinc/08/81/05/612088105.db2.gz DQFSRFUCWPUDSI-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccncn2)C1 ZINC000951223325 612088107 /nfs/dbraw/zinc/08/81/07/612088107.db2.gz DQFSRFUCWPUDSI-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000951223844 612088809 /nfs/dbraw/zinc/08/88/09/612088809.db2.gz RBLLRLXMABMWQF-ZACQAIPSSA-N 1 1 346.475 0.285 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC000952784184 612100288 /nfs/dbraw/zinc/10/02/88/612100288.db2.gz DLHQDFJMHSLXSE-OAGGEKHMSA-N 1 1 348.447 0.460 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(C(=O)COC)C2 ZINC000952920676 612125155 /nfs/dbraw/zinc/12/51/55/612125155.db2.gz MMTUUJXEQXTBQO-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(C(=O)COC)C2 ZINC000952920676 612125157 /nfs/dbraw/zinc/12/51/57/612125157.db2.gz MMTUUJXEQXTBQO-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 ZINC000953122568 612167726 /nfs/dbraw/zinc/16/77/26/612167726.db2.gz KDECLMVQTGFQAE-GJYPPUQNSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 ZINC000953122568 612167728 /nfs/dbraw/zinc/16/77/28/612167728.db2.gz KDECLMVQTGFQAE-GJYPPUQNSA-N 1 1 347.459 0.570 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CCC[C@H]2C)cn1 ZINC000951386123 612199098 /nfs/dbraw/zinc/19/90/98/612199098.db2.gz VERJOAHQMPKLTP-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000955119653 612280878 /nfs/dbraw/zinc/28/08/78/612280878.db2.gz AZAXXAXBDNIKEI-LBPRGKRZSA-N 1 1 338.371 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@]2(C)CCCOC2)C1 ZINC000955123684 612285879 /nfs/dbraw/zinc/28/58/79/612285879.db2.gz FSJYMJBYHKZCCG-LPHOPBHVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@]2(C)CCCOC2)C1 ZINC000955123684 612285883 /nfs/dbraw/zinc/28/58/83/612285883.db2.gz FSJYMJBYHKZCCG-LPHOPBHVSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000953907050 612426649 /nfs/dbraw/zinc/42/66/49/612426649.db2.gz VSRJBPXBSSONLV-XHSDSOJGSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1csc(=O)[nH]1 ZINC000951675193 612458331 /nfs/dbraw/zinc/45/83/31/612458331.db2.gz IQBIIOSYRFNAPB-YPMHNXCESA-N 1 1 348.428 0.277 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1csc(=O)[nH]1 ZINC000951675193 612458332 /nfs/dbraw/zinc/45/83/32/612458332.db2.gz IQBIIOSYRFNAPB-YPMHNXCESA-N 1 1 348.428 0.277 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(OC)no2)C1 ZINC000954630651 612468444 /nfs/dbraw/zinc/46/84/44/612468444.db2.gz GGGDZVWNTFGXHW-ZDUSSCGKSA-N 1 1 346.387 0.064 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(OC)no2)C1 ZINC000954630651 612468449 /nfs/dbraw/zinc/46/84/49/612468449.db2.gz GGGDZVWNTFGXHW-ZDUSSCGKSA-N 1 1 346.387 0.064 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000954631606 612470494 /nfs/dbraw/zinc/47/04/94/612470494.db2.gz ZQSXBHCBSSSNGM-HNNXBMFYSA-N 1 1 342.399 0.168 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000954631606 612470498 /nfs/dbraw/zinc/47/04/98/612470498.db2.gz ZQSXBHCBSSSNGM-HNNXBMFYSA-N 1 1 342.399 0.168 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000955346761 612475282 /nfs/dbraw/zinc/47/52/82/612475282.db2.gz LBNAOTPOVAWTTK-FZMZJTMJSA-N 1 1 329.404 0.367 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000953993529 612531607 /nfs/dbraw/zinc/53/16/07/612531607.db2.gz CCCHTMOMVJYASI-UHFFFAOYSA-N 1 1 329.404 0.653 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC000955975166 612550384 /nfs/dbraw/zinc/55/03/84/612550384.db2.gz BTWJXPADOIBOHF-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC000954704732 612570920 /nfs/dbraw/zinc/57/09/20/612570920.db2.gz DOESNPBXZKJRMY-HNNXBMFYSA-N 1 1 346.435 0.231 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC000954710094 612580054 /nfs/dbraw/zinc/58/00/54/612580054.db2.gz NJHKPSRWUSYZCU-KRWDZBQOSA-N 1 1 340.427 0.830 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956843807 612618857 /nfs/dbraw/zinc/61/88/57/612618857.db2.gz XHISIZPQLMOTEX-KRWDZBQOSA-N 1 1 340.387 0.812 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954108388 612671940 /nfs/dbraw/zinc/67/19/40/612671940.db2.gz YHOWYAOTRGBRRD-ABAIWWIYSA-N 1 1 329.404 0.367 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)nc1 ZINC000956127225 612728441 /nfs/dbraw/zinc/72/84/41/612728441.db2.gz NOVYJRDNTBKEDF-CVEARBPZSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000954931251 612794379 /nfs/dbraw/zinc/79/43/79/612794379.db2.gz SIHWKRDOFXXZRD-SFHVURJKSA-N 1 1 339.439 0.974 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954403258 612893458 /nfs/dbraw/zinc/89/34/58/612893458.db2.gz OKFSHROCSUAMRV-OIISXLGYSA-N 1 1 349.475 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000954405573 612894587 /nfs/dbraw/zinc/89/45/87/612894587.db2.gz AGIYAYSODNPAJI-CXAGYDPISA-N 1 1 340.427 0.686 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954408243 612895985 /nfs/dbraw/zinc/89/59/85/612895985.db2.gz BQPNIMPCGBDLAT-OIISXLGYSA-N 1 1 346.475 0.093 20 30 ECEDMO CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164934129 721887336 /nfs/dbraw/zinc/88/73/36/721887336.db2.gz PPFAUVUZKVAKDZ-SJORKVTESA-N 1 1 339.447 0.997 20 30 ECEDMO CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001164934129 721887337 /nfs/dbraw/zinc/88/73/37/721887337.db2.gz PPFAUVUZKVAKDZ-SJORKVTESA-N 1 1 339.447 0.997 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC001041787428 782207682 /nfs/dbraw/zinc/20/76/82/782207682.db2.gz NQGATQYLBBOMAM-QGZVFWFLSA-N 1 1 342.403 0.532 20 30 ECEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000969151168 731527032 /nfs/dbraw/zinc/52/70/32/731527032.db2.gz RJSRDTOMJYXJDZ-UONOGXRCSA-N 1 1 329.466 0.615 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)cn1 ZINC001125279260 731556123 /nfs/dbraw/zinc/55/61/23/731556123.db2.gz JIOFIGQNZLTNFB-GDBMZVCRSA-N 1 1 345.447 0.693 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC000969252223 731646180 /nfs/dbraw/zinc/64/61/80/731646180.db2.gz PDCVSSUKUNGSDK-CJNGLKHVSA-N 1 1 344.415 0.157 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cncc(F)c2)C1 ZINC001211492784 731671753 /nfs/dbraw/zinc/67/17/53/731671753.db2.gz LBNAJDFBYYEDEA-CZUORRHYSA-N 1 1 346.406 0.339 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cncc(F)c2)C1 ZINC001211492784 731671754 /nfs/dbraw/zinc/67/17/54/731671754.db2.gz LBNAJDFBYYEDEA-CZUORRHYSA-N 1 1 346.406 0.339 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001211497381 731729898 /nfs/dbraw/zinc/72/98/98/731729898.db2.gz FDAKORCWLNPAOH-IIAWOOMASA-N 1 1 337.464 0.788 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001211497381 731729901 /nfs/dbraw/zinc/72/99/01/731729901.db2.gz FDAKORCWLNPAOH-IIAWOOMASA-N 1 1 337.464 0.788 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969409236 731813812 /nfs/dbraw/zinc/81/38/12/731813812.db2.gz DINGPHOZNMOBRS-MLGOLLRUSA-N 1 1 326.400 0.773 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCc4nc[nH]c43)[C@H]2C1 ZINC001083189653 731849523 /nfs/dbraw/zinc/84/95/23/731849523.db2.gz BOTNKANNIZRAKM-VNQPRFMTSA-N 1 1 328.416 0.765 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001041808616 782246862 /nfs/dbraw/zinc/24/68/62/782246862.db2.gz LFCFPSCNMKUNFJ-BPLDGKMQSA-N 1 1 329.404 0.225 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001041808616 782246874 /nfs/dbraw/zinc/24/68/74/782246874.db2.gz LFCFPSCNMKUNFJ-BPLDGKMQSA-N 1 1 329.404 0.225 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC000969453578 731904555 /nfs/dbraw/zinc/90/45/55/731904555.db2.gz ZEXSTPBJLVDRNY-DOMZBBRYSA-N 1 1 344.415 0.624 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000969463261 731910122 /nfs/dbraw/zinc/91/01/22/731910122.db2.gz MONKUPSYHZNSTB-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000969693468 732052750 /nfs/dbraw/zinc/05/27/50/732052750.db2.gz ULUSDALGBRBFEX-WQVCFCJDSA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC000969721225 732082635 /nfs/dbraw/zinc/08/26/35/732082635.db2.gz CAERKXBMOAJLKM-MWDXBVQZSA-N 1 1 348.491 0.694 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(=O)N1CCC1 ZINC001087357357 738579935 /nfs/dbraw/zinc/57/99/35/738579935.db2.gz PEVGPXUDQTURMF-FJIDUMEYSA-N 1 1 341.455 0.801 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1)C1CC1 ZINC000973047844 738583785 /nfs/dbraw/zinc/58/37/85/738583785.db2.gz ODVAOALITUTFOY-OAHLLOKOSA-N 1 1 343.431 0.947 20 30 ECEDMO CN(C(=O)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1)C1CC1 ZINC000973047844 738583787 /nfs/dbraw/zinc/58/37/87/738583787.db2.gz ODVAOALITUTFOY-OAHLLOKOSA-N 1 1 343.431 0.947 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973053274 738589490 /nfs/dbraw/zinc/58/94/90/738589490.db2.gz XNYMHBKSSWXYFH-AWEZNQCLSA-N 1 1 329.404 0.559 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973053274 738589491 /nfs/dbraw/zinc/58/94/91/738589491.db2.gz XNYMHBKSSWXYFH-AWEZNQCLSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 ZINC001041812362 782255229 /nfs/dbraw/zinc/25/52/29/782255229.db2.gz YSGYCLOLMJBDCD-QGZVFWFLSA-N 1 1 333.436 0.391 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H](C)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000969841848 732429059 /nfs/dbraw/zinc/42/90/59/732429059.db2.gz MAWITXOQGYYLJC-DOMZBBRYSA-N 1 1 344.415 0.529 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nnc(C)[nH]2)C1 ZINC000969865894 732464000 /nfs/dbraw/zinc/46/40/00/732464000.db2.gz SFLZZZQENLUFIW-WFASDCNBSA-N 1 1 330.436 0.147 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nnc(C)[nH]2)C1 ZINC000969865894 732464004 /nfs/dbraw/zinc/46/40/04/732464004.db2.gz SFLZZZQENLUFIW-WFASDCNBSA-N 1 1 330.436 0.147 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4ccncc4C3)[C@H]2C1 ZINC001083193749 732626233 /nfs/dbraw/zinc/62/62/33/732626233.db2.gz GYVNTGCCQGNEFE-RYQLBKOJSA-N 1 1 325.412 0.731 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)CCCCC(N)=O)CC1 ZINC001098528550 732883370 /nfs/dbraw/zinc/88/33/70/732883370.db2.gz KGLLCXFSWFIIOV-UHFFFAOYSA-N 1 1 325.453 0.894 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CCOC2CCOCC2)CC1 ZINC001098528505 732884062 /nfs/dbraw/zinc/88/40/62/732884062.db2.gz IDAOFMUAAHFQKY-UHFFFAOYSA-N 1 1 338.448 0.491 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CC(=O)NCC2CC2)CC1 ZINC001098528737 732891928 /nfs/dbraw/zinc/89/19/28/732891928.db2.gz OLDHEDROGDWTAR-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836465 782313585 /nfs/dbraw/zinc/31/35/85/782313585.db2.gz XDPAKKQFLRJOET-ZBFHGGJFSA-N 1 1 341.477 0.569 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2c3c(nn2C)CCC3)CC1 ZINC001098530837 733027337 /nfs/dbraw/zinc/02/73/37/733027337.db2.gz PBMILENUJGUPPO-UHFFFAOYSA-N 1 1 344.459 0.831 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125326912 733045919 /nfs/dbraw/zinc/04/59/19/733045919.db2.gz BZQGLSOPEWYYBC-ZIAGYGMSSA-N 1 1 346.435 0.088 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)c2c(=O)[nH]ccc2OC)CC1 ZINC001098534754 733104498 /nfs/dbraw/zinc/10/44/98/733104498.db2.gz DKVBPRZMZVFGRO-UHFFFAOYSA-N 1 1 347.415 0.718 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CCCC(=O)NC(C)C)CC1 ZINC001098536191 733159145 /nfs/dbraw/zinc/15/91/45/733159145.db2.gz CJFPZPSIDRYLAR-UHFFFAOYSA-N 1 1 337.464 0.600 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001206964994 733165620 /nfs/dbraw/zinc/16/56/20/733165620.db2.gz JISCYSXRTCAKPR-MGPQQGTHSA-N 1 1 331.482 0.717 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CC)C2)nn1 ZINC000970205791 733198933 /nfs/dbraw/zinc/19/89/33/733198933.db2.gz MXSNJSNHPRJXES-GFCCVEGCSA-N 1 1 330.396 0.080 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1nccnc1C#N ZINC001104253418 733368031 /nfs/dbraw/zinc/36/80/31/733368031.db2.gz NJSPXNGBESUCPK-ZFWWWQNUSA-N 1 1 326.404 0.610 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1nccnc1C#N ZINC001104253418 733368033 /nfs/dbraw/zinc/36/80/33/733368033.db2.gz NJSPXNGBESUCPK-ZFWWWQNUSA-N 1 1 326.404 0.610 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3conc3C)C2)C1=O ZINC000970361437 733415683 /nfs/dbraw/zinc/41/56/83/733415683.db2.gz OBVPKOSQSGNCNZ-ABAIWWIYSA-N 1 1 332.404 0.820 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccnc(-n4cncn4)c3)C2)C1 ZINC001041855693 782344310 /nfs/dbraw/zinc/34/43/10/782344310.db2.gz NAKDAWWJONAEQT-GOSISDBHSA-N 1 1 336.399 0.834 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNc2cncc(C#N)n2)CC1 ZINC001067471228 733455774 /nfs/dbraw/zinc/45/57/74/733455774.db2.gz WJRBPMBFKNDFEG-CQSZACIVSA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNc2ncccc2C#N)CC1 ZINC001067471284 733461182 /nfs/dbraw/zinc/46/11/82/733461182.db2.gz ZHFAHQYAQLSNIW-OAHLLOKOSA-N 1 1 343.431 0.813 20 30 ECEDMO C#CCCS(=O)(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000288986259 733508408 /nfs/dbraw/zinc/50/84/08/733508408.db2.gz YCDVVWMKOAWGMY-UHFFFAOYSA-N 1 1 349.456 0.517 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC000970437268 733532617 /nfs/dbraw/zinc/53/26/17/733532617.db2.gz QRGBOKREDIHQPN-XHDPSFHLSA-N 1 1 345.447 0.864 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3cnn(C)c3)C2)nn1 ZINC000970552425 733668135 /nfs/dbraw/zinc/66/81/35/733668135.db2.gz NSOKLPRXZAWNPI-ZDUSSCGKSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccncn3)C2)C1=O ZINC000970613887 733743685 /nfs/dbraw/zinc/74/36/85/733743685.db2.gz SMLGVGQXRUPYDN-WFASDCNBSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1=O ZINC001210811743 734030124 /nfs/dbraw/zinc/03/01/24/734030124.db2.gz QKENGLGHMLKVRU-CVEARBPZSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)C[C@H](NC(=O)C(N)=O)c1ccccc1O2 ZINC001098544340 734091280 /nfs/dbraw/zinc/09/12/80/734091280.db2.gz KMBAFAVWTCYBGJ-KSSFIOAISA-N 1 1 327.384 0.580 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC001041881929 782385588 /nfs/dbraw/zinc/38/55/88/782385588.db2.gz XXXAPOJVASQOJS-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnccc2C)C1 ZINC000973127619 738795893 /nfs/dbraw/zinc/79/58/93/738795893.db2.gz SPJPKGVUQCQAJD-ZOBUZTSGSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnccc2C)C1 ZINC000973127619 738795897 /nfs/dbraw/zinc/79/58/97/738795897.db2.gz SPJPKGVUQCQAJD-ZOBUZTSGSA-N 1 1 340.427 0.865 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 ZINC001104319046 734287166 /nfs/dbraw/zinc/28/71/66/734287166.db2.gz ZUSGJOAFDHILLL-CYBMUJFWSA-N 1 1 332.408 0.010 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 ZINC001104323460 734304034 /nfs/dbraw/zinc/30/40/34/734304034.db2.gz QWUCXRQHBNWKGH-CYBMUJFWSA-N 1 1 332.408 0.011 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cc(C)nn3C)C2)C1=O ZINC000971163392 734330105 /nfs/dbraw/zinc/33/01/05/734330105.db2.gz VNKJINFGFXCNGP-LSDHHAIUSA-N 1 1 345.447 0.662 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2nc(C)cc(C#N)n2)CCO1 ZINC001104328900 734347495 /nfs/dbraw/zinc/34/74/95/734347495.db2.gz QLOWNKNNQRVKBA-HNNXBMFYSA-N 1 1 346.435 0.320 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971202701 734356295 /nfs/dbraw/zinc/35/62/95/734356295.db2.gz AJLJFRSAKKIJTG-HZPDHXFCSA-N 1 1 326.400 0.870 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC)C1 ZINC001111988296 738806885 /nfs/dbraw/zinc/80/68/85/738806885.db2.gz AYIYLYWVPPBPFV-YCPHGPKFSA-N 1 1 343.493 0.861 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cc(C)on3)C2)C1=O ZINC000971228491 734372574 /nfs/dbraw/zinc/37/25/74/734372574.db2.gz FBAYJDUUQVGQMS-JKSUJKDBSA-N 1 1 346.431 0.845 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3ccon3)C2)C1=O ZINC000971242106 734383555 /nfs/dbraw/zinc/38/35/55/734383555.db2.gz MUNWKCSZIQZKIV-HUUCEWRRSA-N 1 1 332.404 0.537 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)CCSC)C1 ZINC001149167489 734393981 /nfs/dbraw/zinc/39/39/81/734393981.db2.gz GZBTXHPVRNLFDC-UONOGXRCSA-N 1 1 343.493 0.637 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CCSC)C1 ZINC001149167489 734393984 /nfs/dbraw/zinc/39/39/84/734393984.db2.gz GZBTXHPVRNLFDC-UONOGXRCSA-N 1 1 343.493 0.637 20 30 ECEDMO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971287214 734420980 /nfs/dbraw/zinc/42/09/80/734420980.db2.gz BSPFNTMAHIOBOP-AWEZNQCLSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971287214 734420984 /nfs/dbraw/zinc/42/09/84/734420984.db2.gz BSPFNTMAHIOBOP-AWEZNQCLSA-N 1 1 329.404 0.655 20 30 ECEDMO Cn1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)cc1=O ZINC000971365736 734476698 /nfs/dbraw/zinc/47/66/98/734476698.db2.gz GNKBBGBRAZBVHP-OAHLLOKOSA-N 1 1 339.399 0.932 20 30 ECEDMO C[N@@H+](CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971376123 734488295 /nfs/dbraw/zinc/48/82/95/734488295.db2.gz HSRFJKOETXTMBI-AWEZNQCLSA-N 1 1 343.387 0.182 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973141921 738820142 /nfs/dbraw/zinc/82/01/42/738820142.db2.gz QNSOAQUKOKTIOC-JOCQHMNTSA-N 1 1 326.360 0.469 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3nccnc3C#N)CCO2)C1 ZINC001104350540 734528049 /nfs/dbraw/zinc/52/80/49/734528049.db2.gz ZAMLOSIDOTXNFM-ZIAGYGMSSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451594 734609486 /nfs/dbraw/zinc/60/94/86/734609486.db2.gz LTBRQKVDSQUTPK-HIFRSBDPSA-N 1 1 346.362 0.838 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCCF)C[C@@H]32)nn1 ZINC001083219917 734678376 /nfs/dbraw/zinc/67/83/76/734678376.db2.gz UUERIARWRZTLGF-LSDHHAIUSA-N 1 1 337.399 0.739 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000971609217 734801795 /nfs/dbraw/zinc/80/17/95/734801795.db2.gz UCSZBEBXZFSJMZ-GFCCVEGCSA-N 1 1 330.417 0.944 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)s3)[C@H]2C1 ZINC001083222978 734872758 /nfs/dbraw/zinc/87/27/58/734872758.db2.gz XGVOQNFAPPCCPF-NWDGAFQWSA-N 1 1 333.413 0.396 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)s3)[C@H]2C1 ZINC001083222978 734872761 /nfs/dbraw/zinc/87/27/61/734872761.db2.gz XGVOQNFAPPCCPF-NWDGAFQWSA-N 1 1 333.413 0.396 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001098555735 734947828 /nfs/dbraw/zinc/94/78/28/734947828.db2.gz OCIJJFIZHQWEPK-GOSISDBHSA-N 1 1 344.411 0.745 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)C1=O ZINC000971755590 735028727 /nfs/dbraw/zinc/02/87/27/735028727.db2.gz BJTIJSXUSXCIDM-GXTWGEPZSA-N 1 1 345.403 0.115 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CCCC2)C1 ZINC001104379430 735056038 /nfs/dbraw/zinc/05/60/38/735056038.db2.gz RWFVRVLJVKESOG-ZDUSSCGKSA-N 1 1 344.419 0.520 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CCCC2)C1 ZINC001104379430 735056039 /nfs/dbraw/zinc/05/60/39/735056039.db2.gz RWFVRVLJVKESOG-ZDUSSCGKSA-N 1 1 344.419 0.520 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nn3cccnc23)C1 ZINC001078197199 782476124 /nfs/dbraw/zinc/47/61/24/782476124.db2.gz GTDFQRWZUMOQKS-ZIAGYGMSSA-N 1 1 329.404 0.779 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3n[nH]nc3C)C2)C1=O ZINC000972061249 735595193 /nfs/dbraw/zinc/59/51/93/735595193.db2.gz KXXRKLZPZHRLCZ-OLZOCXBDSA-N 1 1 332.408 0.046 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972078079 735617699 /nfs/dbraw/zinc/61/76/99/735617699.db2.gz CGZBIPAVFLHURA-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO C=CCOCC[N@H+](CCO)C1CCN(C(=O)c2ccnc(C)n2)CC1 ZINC001098564224 735676633 /nfs/dbraw/zinc/67/66/33/735676633.db2.gz SAZYZYCBLRWJPL-UHFFFAOYSA-N 1 1 348.447 0.887 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cnoc3)C2)C1=O ZINC000972155016 735720628 /nfs/dbraw/zinc/72/06/28/735720628.db2.gz SIIFSLIVMLJLJI-HUUCEWRRSA-N 1 1 332.404 0.537 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001041960220 782496489 /nfs/dbraw/zinc/49/64/89/782496489.db2.gz IUYBYXOEBGOCFX-CQSZACIVSA-N 1 1 346.431 0.410 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3conc3C)C2)C1=O ZINC000972222411 735807479 /nfs/dbraw/zinc/80/74/79/735807479.db2.gz NAYWFEAFKSJNHG-DZGCQCFKSA-N 1 1 332.404 0.916 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H]([N@@H+](C)CCN3C(=O)CNC3=O)C2)C1 ZINC000972282712 735885058 /nfs/dbraw/zinc/88/50/58/735885058.db2.gz GMCJUNWWCRTRHK-ZDUSSCGKSA-N 1 1 334.420 0.427 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(=O)n(C)o3)C2)C1 ZINC000972352734 735993202 /nfs/dbraw/zinc/99/32/02/735993202.db2.gz OYJORUCTYWFEQM-QGZVFWFLSA-N 1 1 335.404 0.861 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](C)Nc1ccnc(C#N)n1)CC2 ZINC001098220481 736080748 /nfs/dbraw/zinc/08/07/48/736080748.db2.gz KEPCULHDGAQLTF-WCQYABFASA-N 1 1 339.403 0.454 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)OCCOCC)CC1 ZINC001098570695 736123218 /nfs/dbraw/zinc/12/32/18/736123218.db2.gz GQWWBPBOBQJUJX-HNNXBMFYSA-N 1 1 326.437 0.347 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972413467 736148976 /nfs/dbraw/zinc/14/89/76/736148976.db2.gz KFOJNMZZACDFED-QGZVFWFLSA-N 1 1 340.387 0.293 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972413467 736148978 /nfs/dbraw/zinc/14/89/78/736148978.db2.gz KFOJNMZZACDFED-QGZVFWFLSA-N 1 1 340.387 0.293 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC000972413582 736149602 /nfs/dbraw/zinc/14/96/02/736149602.db2.gz MZOGGPMHEJXMLN-KRWDZBQOSA-N 1 1 330.388 0.216 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC000972413582 736149604 /nfs/dbraw/zinc/14/96/04/736149604.db2.gz MZOGGPMHEJXMLN-KRWDZBQOSA-N 1 1 330.388 0.216 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972421746 736165916 /nfs/dbraw/zinc/16/59/16/736165916.db2.gz IWPAAJZTLSZCBF-MSOLQXFVSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972421746 736165919 /nfs/dbraw/zinc/16/59/19/736165919.db2.gz IWPAAJZTLSZCBF-MSOLQXFVSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)C1 ZINC000972422089 736166703 /nfs/dbraw/zinc/16/67/03/736166703.db2.gz MCXPBLOTJGBADB-RKVPGOIHSA-N 1 1 328.416 0.840 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)C1 ZINC000972422089 736166706 /nfs/dbraw/zinc/16/67/06/736166706.db2.gz MCXPBLOTJGBADB-RKVPGOIHSA-N 1 1 328.416 0.840 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972424173 736170819 /nfs/dbraw/zinc/17/08/19/736170819.db2.gz GTOTYJYZTYLAQX-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972424173 736170823 /nfs/dbraw/zinc/17/08/23/736170823.db2.gz GTOTYJYZTYLAQX-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnccc3OC)C2)C1 ZINC000972428022 736174104 /nfs/dbraw/zinc/17/41/04/736174104.db2.gz FERJLQXPMVTVSU-IBGZPJMESA-N 1 1 343.427 0.959 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnccc3OC)C2)C1 ZINC000972428022 736174106 /nfs/dbraw/zinc/17/41/06/736174106.db2.gz FERJLQXPMVTVSU-IBGZPJMESA-N 1 1 343.427 0.959 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001078219954 782512107 /nfs/dbraw/zinc/51/21/07/782512107.db2.gz SQOIAOQJGLUXAD-HZPDHXFCSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001098571804 736195328 /nfs/dbraw/zinc/19/53/28/736195328.db2.gz WVIZNLHDDWHHOZ-OAHLLOKOSA-N 1 1 347.463 0.702 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001041970201 782516380 /nfs/dbraw/zinc/51/63/80/782516380.db2.gz XYYXKSPXTIMZOL-KRWDZBQOSA-N 1 1 345.443 0.945 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972462964 736261070 /nfs/dbraw/zinc/26/10/70/736261070.db2.gz MZHRVEWSJDMEAN-QGZVFWFLSA-N 1 1 342.403 0.617 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cncnc3)C2)C1 ZINC000972464273 736264548 /nfs/dbraw/zinc/26/45/48/736264548.db2.gz AVKXLFSTMNQDLU-SFHVURJKSA-N 1 1 328.416 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cncnc3)C2)C1 ZINC000972464273 736264550 /nfs/dbraw/zinc/26/45/50/736264550.db2.gz AVKXLFSTMNQDLU-SFHVURJKSA-N 1 1 328.416 0.736 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 ZINC000972494486 736392566 /nfs/dbraw/zinc/39/25/66/736392566.db2.gz RADSGERLFBWIEI-QGZVFWFLSA-N 1 1 334.420 0.922 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](c2cccnc2)N(C)C)CC1 ZINC001098575052 736482065 /nfs/dbraw/zinc/48/20/65/736482065.db2.gz AAUZTODARHARBG-GOSISDBHSA-N 1 1 344.459 0.603 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ncccc3OC)C2)C1 ZINC000972517086 736527989 /nfs/dbraw/zinc/52/79/89/736527989.db2.gz AEWDQWINPHXKCA-LJQANCHMSA-N 1 1 343.427 0.959 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ncccc3OC)C2)C1 ZINC000972517086 736527992 /nfs/dbraw/zinc/52/79/92/736527992.db2.gz AEWDQWINPHXKCA-LJQANCHMSA-N 1 1 343.427 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CCOC2)C1 ZINC001059846746 751372125 /nfs/dbraw/zinc/37/21/25/751372125.db2.gz CZUMYBQGHSEVDE-ZACQAIPSSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CCOC2)C1 ZINC001059846746 751372132 /nfs/dbraw/zinc/37/21/32/751372132.db2.gz CZUMYBQGHSEVDE-ZACQAIPSSA-N 1 1 347.459 0.475 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001023296008 736655707 /nfs/dbraw/zinc/65/57/07/736655707.db2.gz MXOVFBLUKZBNJX-IUODEOHRSA-N 1 1 329.404 0.607 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972549134 736678248 /nfs/dbraw/zinc/67/82/48/736678248.db2.gz MHRJHWQYZQTMOU-QGZVFWFLSA-N 1 1 333.388 0.872 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972549134 736678251 /nfs/dbraw/zinc/67/82/51/736678251.db2.gz MHRJHWQYZQTMOU-QGZVFWFLSA-N 1 1 333.388 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CSC)C1 ZINC001059847043 751377232 /nfs/dbraw/zinc/37/72/32/751377232.db2.gz KVNCMAPTBBIZIJ-CABCVRRESA-N 1 1 337.489 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CSC)C1 ZINC001059847043 751377237 /nfs/dbraw/zinc/37/72/37/751377237.db2.gz KVNCMAPTBBIZIJ-CABCVRRESA-N 1 1 337.489 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001023416680 736798674 /nfs/dbraw/zinc/79/86/74/736798674.db2.gz CISWUBDMSXAYOK-WMLDXEAASA-N 1 1 325.412 0.975 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC001023424474 736812955 /nfs/dbraw/zinc/81/29/55/736812955.db2.gz ZNIWRSJGHVVUPK-AEFFLSMTSA-N 1 1 343.475 0.846 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001023529559 736962553 /nfs/dbraw/zinc/96/25/53/736962553.db2.gz GXBNFTNPOOIUQA-RYUDHWBXSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001023529559 736962555 /nfs/dbraw/zinc/96/25/55/736962555.db2.gz GXBNFTNPOOIUQA-RYUDHWBXSA-N 1 1 344.253 0.859 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](CC(=C)C)CCO3)nn1 ZINC000972586555 736976937 /nfs/dbraw/zinc/97/69/37/736976937.db2.gz YYTLQUMTJJKPDY-QGZVFWFLSA-N 1 1 331.420 0.957 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](CC(=C)C)CCO3)nn1 ZINC000972586555 736976942 /nfs/dbraw/zinc/97/69/42/736976942.db2.gz YYTLQUMTJJKPDY-QGZVFWFLSA-N 1 1 331.420 0.957 20 30 ECEDMO C=CCCOCC(=O)N1CCC([N@H+](CCO)Cc2ncccn2)CC1 ZINC001098577731 736989949 /nfs/dbraw/zinc/98/99/49/736989949.db2.gz PYIOJXLVBCYMGL-UHFFFAOYSA-N 1 1 348.447 0.855 20 30 ECEDMO C=CCCOCC(=O)N1CCC([N@@H+](CCO)Cc2ncccn2)CC1 ZINC001098577731 736989953 /nfs/dbraw/zinc/98/99/53/736989953.db2.gz PYIOJXLVBCYMGL-UHFFFAOYSA-N 1 1 348.447 0.855 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000972594043 737023581 /nfs/dbraw/zinc/02/35/81/737023581.db2.gz PKYWISXEOVPSDM-QAPCUYQASA-N 1 1 335.448 0.925 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001023583363 737039903 /nfs/dbraw/zinc/03/99/03/737039903.db2.gz FRDPSFVHRUVKAL-DOTOQJQBSA-N 1 1 340.427 0.783 20 30 ECEDMO C=C(C)CN1CCO[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972598641 737048778 /nfs/dbraw/zinc/04/87/78/737048778.db2.gz HKFKYYHAPRGOFS-GOSISDBHSA-N 1 1 337.464 0.588 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001023599719 737058812 /nfs/dbraw/zinc/05/88/12/737058812.db2.gz SDRBTBWBGWGDPC-MCIONIFRSA-N 1 1 349.435 0.028 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC000972613822 737101456 /nfs/dbraw/zinc/10/14/56/737101456.db2.gz FPNLHMCDCWGVLC-KRWDZBQOSA-N 1 1 330.388 0.054 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC000972613822 737101458 /nfs/dbraw/zinc/10/14/58/737101458.db2.gz FPNLHMCDCWGVLC-KRWDZBQOSA-N 1 1 330.388 0.054 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972628116 737151299 /nfs/dbraw/zinc/15/12/99/737151299.db2.gz OAAGQCWWMHMHBX-QGZVFWFLSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972628116 737151301 /nfs/dbraw/zinc/15/13/01/737151301.db2.gz OAAGQCWWMHMHBX-QGZVFWFLSA-N 1 1 330.388 0.425 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnon3)C2)C1=O ZINC001023659449 737158658 /nfs/dbraw/zinc/15/86/58/737158658.db2.gz BWKVZOBVORHUSX-GXTWGEPZSA-N 1 1 333.392 0.298 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972629655 737161441 /nfs/dbraw/zinc/16/14/41/737161441.db2.gz CGCLYPHIPFQJOI-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001023692688 737207462 /nfs/dbraw/zinc/20/74/62/737207462.db2.gz HKWDBVBQNIJEIH-HUUCEWRRSA-N 1 1 331.420 0.705 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CCn3cncn3)C2)nc1 ZINC001023709353 737227452 /nfs/dbraw/zinc/22/74/52/737227452.db2.gz SPHYTAXULDJEAU-INIZCTEOSA-N 1 1 338.415 0.796 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)nc1 ZINC001023708982 737227497 /nfs/dbraw/zinc/22/74/97/737227497.db2.gz NWGXVCVZZQUILS-HIFRSBDPSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001023730965 737253946 /nfs/dbraw/zinc/25/39/46/737253946.db2.gz LKYFXWKGMLQFRX-CQSZACIVSA-N 1 1 326.404 0.898 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655153 737261553 /nfs/dbraw/zinc/26/15/53/737261553.db2.gz DMMVDDMICXIWKB-FUHWJXTLSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655153 737261559 /nfs/dbraw/zinc/26/15/59/737261559.db2.gz DMMVDDMICXIWKB-FUHWJXTLSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972672765 737337882 /nfs/dbraw/zinc/33/78/82/737337882.db2.gz ABMRRHOKEMLTDI-GOSISDBHSA-N 1 1 333.432 0.326 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972672765 737337885 /nfs/dbraw/zinc/33/78/85/737337885.db2.gz ABMRRHOKEMLTDI-GOSISDBHSA-N 1 1 333.432 0.326 20 30 ECEDMO CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972683729 737372888 /nfs/dbraw/zinc/37/28/88/737372888.db2.gz OVYPBTUMLUROPT-AEFFLSMTSA-N 1 1 335.448 0.034 20 30 ECEDMO CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972683729 737372890 /nfs/dbraw/zinc/37/28/90/737372890.db2.gz OVYPBTUMLUROPT-AEFFLSMTSA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972688332 737382386 /nfs/dbraw/zinc/38/23/86/737382386.db2.gz NYEOHUBCARWADE-MAUKXSAKSA-N 1 1 345.447 0.720 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC001098582703 737384455 /nfs/dbraw/zinc/38/44/55/737384455.db2.gz ZZDNNIKMFMDUSJ-INIZCTEOSA-N 1 1 332.448 0.979 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972694465 737402623 /nfs/dbraw/zinc/40/26/23/737402623.db2.gz CLMLOBPVXQRVIX-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972694465 737402626 /nfs/dbraw/zinc/40/26/26/737402626.db2.gz CLMLOBPVXQRVIX-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)[nH]1 ZINC001125776309 737570802 /nfs/dbraw/zinc/57/08/02/737570802.db2.gz LLFFSFVERVUHJQ-CQSZACIVSA-N 1 1 329.335 0.571 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCCN(C)C3=O)C2)nc1 ZINC000972750582 737591418 /nfs/dbraw/zinc/59/14/18/737591418.db2.gz BFGJGGRFPCQNQI-DOTOQJQBSA-N 1 1 340.427 0.830 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972758713 737601133 /nfs/dbraw/zinc/60/11/33/737601133.db2.gz AJLJFRSAKKIJTG-CVEARBPZSA-N 1 1 326.400 0.870 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C2CCC(NC(C)=O)CC2)CC1 ZINC001098584269 737712782 /nfs/dbraw/zinc/71/27/82/737712782.db2.gz RUHXMCYAQBTYOW-UHFFFAOYSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)F)C[C@H]21 ZINC000972834608 737758963 /nfs/dbraw/zinc/75/89/63/737758963.db2.gz BHAUDKWVGDHWAO-QLFBSQMISA-N 1 1 335.423 0.891 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)F)C[C@H]21 ZINC000972834608 737758968 /nfs/dbraw/zinc/75/89/68/737758968.db2.gz BHAUDKWVGDHWAO-QLFBSQMISA-N 1 1 335.423 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 ZINC000972842720 737763838 /nfs/dbraw/zinc/76/38/38/737763838.db2.gz NVHRFPIMGWNACD-OWCLPIDISA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 ZINC000972842720 737763840 /nfs/dbraw/zinc/76/38/40/737763840.db2.gz NVHRFPIMGWNACD-OWCLPIDISA-N 1 1 329.444 0.943 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2CCn2cncn2)c1 ZINC001024380673 737929056 /nfs/dbraw/zinc/92/90/56/737929056.db2.gz QJGOPQINWNHVKG-CQSZACIVSA-N 1 1 327.392 0.762 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnnn2C)C1=O ZINC001024419513 737953287 /nfs/dbraw/zinc/95/32/87/737953287.db2.gz ZOFBQGMGFXJQSC-UONOGXRCSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnnn2C)C1=O ZINC001024419513 737953290 /nfs/dbraw/zinc/95/32/90/737953290.db2.gz ZOFBQGMGFXJQSC-UONOGXRCSA-N 1 1 346.435 0.186 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069995344 790291459 /nfs/dbraw/zinc/29/14/59/790291459.db2.gz JXIRSSGGSXRYAM-CVEARBPZSA-N 1 1 349.398 0.833 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001024469026 737996641 /nfs/dbraw/zinc/99/66/41/737996641.db2.gz TWJGTVVSLXDUOE-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1 ZINC001098586721 738028831 /nfs/dbraw/zinc/02/88/31/738028831.db2.gz MCEDHXNRBDVQPQ-MRXNPFEDSA-N 1 1 337.464 0.443 20 30 ECEDMO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001024507935 738037805 /nfs/dbraw/zinc/03/78/05/738037805.db2.gz BTAYURACHXNASA-OAHLLOKOSA-N 1 1 338.473 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001024507935 738037809 /nfs/dbraw/zinc/03/78/09/738037809.db2.gz BTAYURACHXNASA-OAHLLOKOSA-N 1 1 338.473 0.805 20 30 ECEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001024567784 738115746 /nfs/dbraw/zinc/11/57/46/738115746.db2.gz IVEFTNFPXNPYTN-HIFRSBDPSA-N 1 1 331.420 0.912 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCOCC3=O)C(C)(C)[C@@H]21 ZINC001087289122 738123645 /nfs/dbraw/zinc/12/36/45/738123645.db2.gz HCESNWVBRBJLDM-ZTFGCOKTSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001024574692 738123688 /nfs/dbraw/zinc/12/36/88/738123688.db2.gz BKDGCNUYLZCWBP-IXDOHACOSA-N 1 1 335.448 0.616 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001024581175 738128169 /nfs/dbraw/zinc/12/81/69/738128169.db2.gz DNHXPWQBSDTKLG-CYBMUJFWSA-N 1 1 342.407 0.301 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001024581175 738128173 /nfs/dbraw/zinc/12/81/73/738128173.db2.gz DNHXPWQBSDTKLG-CYBMUJFWSA-N 1 1 342.407 0.301 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCN(C)C(=O)C3)C(C)(C)[C@H]21 ZINC001087293161 738135241 /nfs/dbraw/zinc/13/52/41/738135241.db2.gz ZHBBMAARTCLXJP-JLSDUUJJSA-N 1 1 348.491 0.552 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCCNC3=O)C(C)(C)[C@H]21 ZINC001087293730 738136471 /nfs/dbraw/zinc/13/64/71/738136471.db2.gz JDRUXMLRXXMAFQ-KBMXLJTQSA-N 1 1 332.448 0.640 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc(C(N)=O)cn3C)C(C)(C)[C@@H]21 ZINC001087295545 738142593 /nfs/dbraw/zinc/14/25/93/738142593.db2.gz KXALRBWRZQTZAT-FVQBIDKESA-N 1 1 342.443 0.976 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3nc4ncccn4n3)C(C)(C)[C@H]21 ZINC001087308852 738231791 /nfs/dbraw/zinc/23/17/91/738231791.db2.gz WUSZLCXDZTXOSZ-RDBSUJKOSA-N 1 1 338.415 0.976 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001024704875 738231960 /nfs/dbraw/zinc/23/19/60/738231960.db2.gz SIQPTZHCFDPOEX-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC001087312716 738250421 /nfs/dbraw/zinc/25/04/21/738250421.db2.gz JGLGIYPPYRGROK-UHOFOFEASA-N 1 1 346.431 0.119 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CC(=O)N(C)C3=O)C(C)(C)[C@H]21 ZINC001087313199 738252713 /nfs/dbraw/zinc/25/27/13/738252713.db2.gz QQMSMWDIDZGOIA-KCXAZCMYSA-N 1 1 348.447 0.672 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001024731520 738255087 /nfs/dbraw/zinc/25/50/87/738255087.db2.gz JVZZKLPVAZMSKM-HOTGVXAUSA-N 1 1 345.447 0.922 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N(C)C)nc1 ZINC001024763212 738275067 /nfs/dbraw/zinc/27/50/67/738275067.db2.gz CVYJBAWTWSQPFO-OAHLLOKOSA-N 1 1 328.416 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N(C)C)nc1 ZINC001024763212 738275073 /nfs/dbraw/zinc/27/50/73/738275073.db2.gz CVYJBAWTWSQPFO-OAHLLOKOSA-N 1 1 328.416 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C(C)(C)[C@@H]21 ZINC001087317045 738282362 /nfs/dbraw/zinc/28/23/62/738282362.db2.gz BOBVIAQADNJNGM-DAXOMENPSA-N 1 1 346.431 0.119 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)Nc3cc(C)on3)[C@H]2C1 ZINC001083273452 738367792 /nfs/dbraw/zinc/36/77/92/738367792.db2.gz RYWRBEICESUERH-QWHCGFSZSA-N 1 1 334.376 0.409 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C(=O)Nc3cc(C)on3)[C@H]2C1 ZINC001083273452 738367796 /nfs/dbraw/zinc/36/77/96/738367796.db2.gz RYWRBEICESUERH-QWHCGFSZSA-N 1 1 334.376 0.409 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025245723 738919572 /nfs/dbraw/zinc/91/95/72/738919572.db2.gz PSDZXHZAXOSXET-CVEARBPZSA-N 1 1 345.447 0.451 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025259637 738944915 /nfs/dbraw/zinc/94/49/15/738944915.db2.gz SENRXNTVHNKOGF-DLBZAZTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025297841 739018843 /nfs/dbraw/zinc/01/88/43/739018843.db2.gz QXHFPRFNXJHBDI-LSDHHAIUSA-N 1 1 346.431 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001025298091 739019040 /nfs/dbraw/zinc/01/90/40/739019040.db2.gz UCKBXTAINMFAER-LSDHHAIUSA-N 1 1 346.431 0.359 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025298633 739019505 /nfs/dbraw/zinc/01/95/05/739019505.db2.gz YNDBXGIHJGVPDD-ZIAGYGMSSA-N 1 1 332.404 0.017 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001025300565 739021775 /nfs/dbraw/zinc/02/17/75/739021775.db2.gz CWQRNSKBPWXUAE-GJZGRUSLSA-N 1 1 346.435 0.409 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC000973298354 739065251 /nfs/dbraw/zinc/06/52/51/739065251.db2.gz FQEOINIUDRRNEB-QAETUUGQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC000973298354 739065254 /nfs/dbraw/zinc/06/52/54/739065254.db2.gz FQEOINIUDRRNEB-QAETUUGQSA-N 1 1 347.459 0.664 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)cn2)C1 ZINC001104580275 739096880 /nfs/dbraw/zinc/09/68/80/739096880.db2.gz YZIBASZEXDTZML-HIFRSBDPSA-N 1 1 331.420 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)cn2)C1 ZINC001104580275 739096883 /nfs/dbraw/zinc/09/68/83/739096883.db2.gz YZIBASZEXDTZML-HIFRSBDPSA-N 1 1 331.420 0.933 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccnn2C)nn1 ZINC001028187574 751421507 /nfs/dbraw/zinc/42/15/07/751421507.db2.gz LGHDREXZRCXVSZ-ZDUSSCGKSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccnn2C)nn1 ZINC001028187574 751421511 /nfs/dbraw/zinc/42/15/11/751421511.db2.gz LGHDREXZRCXVSZ-ZDUSSCGKSA-N 1 1 329.408 0.592 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000973410380 739224285 /nfs/dbraw/zinc/22/42/85/739224285.db2.gz JEJHNVABNVYDCJ-XSWJXKHESA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000973410380 739224288 /nfs/dbraw/zinc/22/42/88/739224288.db2.gz JEJHNVABNVYDCJ-XSWJXKHESA-N 1 1 333.432 0.274 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2nc(C)c[nH]2)C1=O ZINC001028190926 751427972 /nfs/dbraw/zinc/42/79/72/751427972.db2.gz FQWARDBKOSAVEN-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nc(C)c[nH]2)C1=O ZINC001028190926 751427974 /nfs/dbraw/zinc/42/79/74/751427974.db2.gz FQWARDBKOSAVEN-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)NC)c3)[C@H]2C1 ZINC001083280237 739264120 /nfs/dbraw/zinc/26/41/20/739264120.db2.gz JSIVPKWBGDQDAG-DLBZAZTESA-N 1 1 341.411 0.595 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001025389670 739352823 /nfs/dbraw/zinc/35/28/23/739352823.db2.gz YWUPUMNLLNJFOB-CHWSQXEVSA-N 1 1 331.420 0.805 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(CCOC)nn2)C1 ZINC001025411000 739430292 /nfs/dbraw/zinc/43/02/92/739430292.db2.gz FEHRUKZDTNCDRG-LSDHHAIUSA-N 1 1 333.436 0.778 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000973550054 739513909 /nfs/dbraw/zinc/51/39/09/739513909.db2.gz ZFCSMUJMVUYDEJ-GVRJEKJASA-N 1 1 335.448 0.825 20 30 ECEDMO C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001104728046 739554490 /nfs/dbraw/zinc/55/44/90/739554490.db2.gz DMRGRVWNYMTMEB-LLVKDONJSA-N 1 1 343.391 0.970 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001028197932 751463699 /nfs/dbraw/zinc/46/36/99/751463699.db2.gz VBLHYRIGXLTBBC-IXDOHACOSA-N 1 1 330.432 0.892 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001041977672 782531919 /nfs/dbraw/zinc/53/19/19/782531919.db2.gz FHOYHCCDSDMDJN-UXIGCNINSA-N 1 1 328.420 0.549 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282538 739651408 /nfs/dbraw/zinc/65/14/08/739651408.db2.gz IIRGFWKWYFAJPG-QLFBSQMISA-N 1 1 331.420 0.247 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282538 739651409 /nfs/dbraw/zinc/65/14/09/739651409.db2.gz IIRGFWKWYFAJPG-QLFBSQMISA-N 1 1 331.420 0.247 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nncn4C3)[C@H]2C1 ZINC001083282621 739652040 /nfs/dbraw/zinc/65/20/40/739652040.db2.gz LTUMNLFNVAZOHA-HRCADAONSA-N 1 1 345.447 0.718 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)N3CCCCC3=O)[C@H]2C1 ZINC001083282738 739652734 /nfs/dbraw/zinc/65/27/34/739652734.db2.gz QWIVSYGNQQMGDA-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282724 739653252 /nfs/dbraw/zinc/65/32/52/739653252.db2.gz QDKRIHUBLMIDLX-OWCLPIDISA-N 1 1 343.431 0.084 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282724 739653253 /nfs/dbraw/zinc/65/32/53/739653253.db2.gz QDKRIHUBLMIDLX-OWCLPIDISA-N 1 1 343.431 0.084 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001025500581 739661085 /nfs/dbraw/zinc/66/10/85/739661085.db2.gz UKYPEIDDZQYMRH-YPMHNXCESA-N 1 1 344.423 0.710 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001025534446 739696580 /nfs/dbraw/zinc/69/65/80/739696580.db2.gz KPVSCWHYPTUYPX-ZIAGYGMSSA-N 1 1 328.416 0.952 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001025593266 739754492 /nfs/dbraw/zinc/75/44/92/739754492.db2.gz AKUXDDYOHKDCFD-OLZOCXBDSA-N 1 1 342.403 0.271 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001025591529 739756017 /nfs/dbraw/zinc/75/60/17/739756017.db2.gz DEPSTTVQOGCHDX-MNOVXSKESA-N 1 1 336.392 0.913 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccnc3nc(C)nn32)C1 ZINC001025593711 739757759 /nfs/dbraw/zinc/75/77/59/739757759.db2.gz BUDJLSNJHAFRIL-JSGCOSHPSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCO)C1 ZINC001025598167 739763316 /nfs/dbraw/zinc/76/33/16/739763316.db2.gz VLLKPXKBTPXOCI-GJZGRUSLSA-N 1 1 331.416 0.916 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCCO2)C1=O ZINC001025692388 739869691 /nfs/dbraw/zinc/86/96/91/739869691.db2.gz HVJGXIKDBVUFNR-KDEOKCCVSA-N 1 1 333.432 0.389 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001025775609 739944484 /nfs/dbraw/zinc/94/44/84/739944484.db2.gz IDSCREWORTVIHR-LJIZCISZSA-N 1 1 326.356 0.770 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001025775609 739944486 /nfs/dbraw/zinc/94/44/86/739944486.db2.gz IDSCREWORTVIHR-LJIZCISZSA-N 1 1 326.356 0.770 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001025775609 739944491 /nfs/dbraw/zinc/94/44/91/739944491.db2.gz IDSCREWORTVIHR-LJIZCISZSA-N 1 1 326.356 0.770 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC000982029034 751496355 /nfs/dbraw/zinc/49/63/55/751496355.db2.gz PTUTYTUGMIXKEW-UHFFFAOYSA-N 1 1 328.416 0.522 20 30 ECEDMO C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025797763 739966168 /nfs/dbraw/zinc/96/61/68/739966168.db2.gz LJBDOBWXUZVLFX-SBJFKYEJSA-N 1 1 325.840 0.649 20 30 ECEDMO C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025797764 739966220 /nfs/dbraw/zinc/96/62/20/739966220.db2.gz LJBDOBWXUZVLFX-VQJWOFKYSA-N 1 1 325.840 0.649 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(c3cccnc3)CC2)[C@@H](n2ccnn2)C1 ZINC001070006498 790307177 /nfs/dbraw/zinc/30/71/77/790307177.db2.gz YUZPAFRWDGXDEI-CVEARBPZSA-N 1 1 338.415 0.932 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2(c3cccnc3)CC2)[C@@H](n2ccnn2)C1 ZINC001070006498 790307184 /nfs/dbraw/zinc/30/71/84/790307184.db2.gz YUZPAFRWDGXDEI-CVEARBPZSA-N 1 1 338.415 0.932 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccncn2)C1=O ZINC001028212659 751514255 /nfs/dbraw/zinc/51/42/55/751514255.db2.gz DBXWMMKUIKERGN-HIFRSBDPSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccncn2)C1=O ZINC001028212659 751514258 /nfs/dbraw/zinc/51/42/58/751514258.db2.gz DBXWMMKUIKERGN-HIFRSBDPSA-N 1 1 329.404 0.458 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001068463473 790318532 /nfs/dbraw/zinc/31/85/32/790318532.db2.gz HOPLKECOWOPZRF-JKSUJKDBSA-N 1 1 349.475 0.980 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@H]2C(N)=O)cc1 ZINC001025937503 740265992 /nfs/dbraw/zinc/26/59/92/740265992.db2.gz NJMGGBBAKKGMLP-ALYAQQCSSA-N 1 1 338.411 0.616 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)c1 ZINC001087389569 740333627 /nfs/dbraw/zinc/33/36/27/740333627.db2.gz LUFNJGWWOUMFEI-ORQFMDKSSA-N 1 1 338.411 0.331 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCO[C@H]2C=C)C1=O ZINC001026057055 740344328 /nfs/dbraw/zinc/34/43/28/740344328.db2.gz WNPXBYWKFHNULW-JHMPBIJASA-N 1 1 345.443 0.411 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)N(C)C)C3)nn1 ZINC000982057674 751538039 /nfs/dbraw/zinc/53/80/39/751538039.db2.gz FLXLGZRWTWABEQ-UHFFFAOYSA-N 1 1 346.435 0.090 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)N(C)C)C3)nn1 ZINC000982057674 751538041 /nfs/dbraw/zinc/53/80/41/751538041.db2.gz FLXLGZRWTWABEQ-UHFFFAOYSA-N 1 1 346.435 0.090 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCCOC2)C1=O ZINC001026146590 740420741 /nfs/dbraw/zinc/42/07/41/740420741.db2.gz IXMCSERMWACLRV-RNGZQALNSA-N 1 1 347.459 0.636 20 30 ECEDMO CN(C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cnc(C#N)cn1 ZINC001058691013 740486765 /nfs/dbraw/zinc/48/67/65/740486765.db2.gz ZXMPSDNDJVNZHI-LSDHHAIUSA-N 1 1 342.447 0.975 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)Cn3ncn4nccc4c3=O)C2)C1 ZINC000982048625 751549246 /nfs/dbraw/zinc/54/92/46/751549246.db2.gz RRXCIRKDHBNLBP-UHFFFAOYSA-N 1 1 342.403 0.001 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)nn1 ZINC001087395768 740579087 /nfs/dbraw/zinc/57/90/87/740579087.db2.gz HWADNMQLKSMUKI-MPTYRVRUSA-N 1 1 345.447 0.629 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC)C[C@H]1C(F)(F)F ZINC001112053928 740603801 /nfs/dbraw/zinc/60/38/01/740603801.db2.gz JOEQEIJPFZDFET-QJPTWQEYSA-N 1 1 349.353 0.140 20 30 ECEDMO Cc1ccc(C#N)c(N(C)CCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001112055016 740650371 /nfs/dbraw/zinc/65/03/71/740650371.db2.gz CSZNVYHTRFHLTK-INIZCTEOSA-N 1 1 345.447 0.877 20 30 ECEDMO Cc1ccc(C#N)c(N(C)CCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001112055016 740650372 /nfs/dbraw/zinc/65/03/72/740650372.db2.gz CSZNVYHTRFHLTK-INIZCTEOSA-N 1 1 345.447 0.877 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNc2ccnc(C#N)n2)CC[N@H+]1C ZINC001104845579 740696235 /nfs/dbraw/zinc/69/62/35/740696235.db2.gz PXDWATBCWVKWCI-HZSPNIEDSA-N 1 1 330.436 0.759 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000973996478 740748910 /nfs/dbraw/zinc/74/89/10/740748910.db2.gz UMTDQWUMKWLCPG-BNOWGMLFSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC000974006946 740760439 /nfs/dbraw/zinc/76/04/39/740760439.db2.gz IIFIQFGPJBFENI-MJBXVCDLSA-N 1 1 339.386 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC000974006946 740760440 /nfs/dbraw/zinc/76/04/40/740760440.db2.gz IIFIQFGPJBFENI-MJBXVCDLSA-N 1 1 339.386 0.893 20 30 ECEDMO C[C@@H](CNc1ccc(C#N)cn1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104869752 740769556 /nfs/dbraw/zinc/76/95/56/740769556.db2.gz CZHSSMUTPGLBBC-GZBFAFLISA-N 1 1 331.420 0.931 20 30 ECEDMO C[C@@H](CNc1ccc(C#N)cn1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104869752 740769559 /nfs/dbraw/zinc/76/95/59/740769559.db2.gz CZHSSMUTPGLBBC-GZBFAFLISA-N 1 1 331.420 0.931 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000974048837 740846753 /nfs/dbraw/zinc/84/67/53/740846753.db2.gz OGKDJHOLXFMPEP-IKVITTDRSA-N 1 1 329.404 0.604 20 30 ECEDMO CC(C)C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104926505 740949009 /nfs/dbraw/zinc/94/90/09/740949009.db2.gz UQDMBJGYILOBET-UKRRQHHQSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104926505 740949011 /nfs/dbraw/zinc/94/90/11/740949011.db2.gz UQDMBJGYILOBET-UKRRQHHQSA-N 1 1 346.435 0.622 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nnc(CC)n1C ZINC001038365387 740984383 /nfs/dbraw/zinc/98/43/83/740984383.db2.gz BZGJRFZXHRRYGP-CABCVRRESA-N 1 1 344.463 0.166 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nnc(CC)n1C ZINC001038365387 740984385 /nfs/dbraw/zinc/98/43/85/740984385.db2.gz BZGJRFZXHRRYGP-CABCVRRESA-N 1 1 344.463 0.166 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC000974143380 741000027 /nfs/dbraw/zinc/00/00/27/741000027.db2.gz QBBWQGDDRQBNFQ-FQUUOJAGSA-N 1 1 346.435 0.039 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC000974143305 741000065 /nfs/dbraw/zinc/00/00/65/741000065.db2.gz NCIKPQMHXQBVSU-BETUJISGSA-N 1 1 343.391 0.046 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccnc(C)n2)C1 ZINC000974158375 741032209 /nfs/dbraw/zinc/03/22/09/741032209.db2.gz PTPPCLXAUWSVKB-LZWOXQAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccnc(C)n2)C1 ZINC000974158375 741032215 /nfs/dbraw/zinc/03/22/15/741032215.db2.gz PTPPCLXAUWSVKB-LZWOXQAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C)nc1 ZINC001020440317 751611863 /nfs/dbraw/zinc/61/18/63/751611863.db2.gz OGEFQFIUPYNBEB-QRTARXTBSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC000974265675 741197991 /nfs/dbraw/zinc/19/79/91/741197991.db2.gz RPPLKWKPSMHPDD-LOWVWBTDSA-N 1 1 333.367 0.023 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC000974265675 741197992 /nfs/dbraw/zinc/19/79/92/741197992.db2.gz RPPLKWKPSMHPDD-LOWVWBTDSA-N 1 1 333.367 0.023 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001078236867 782537890 /nfs/dbraw/zinc/53/78/90/782537890.db2.gz ZGBBPUNUQIYEBU-ZIAGYGMSSA-N 1 1 325.372 0.270 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001078236867 782537898 /nfs/dbraw/zinc/53/78/98/782537898.db2.gz ZGBBPUNUQIYEBU-ZIAGYGMSSA-N 1 1 325.372 0.270 20 30 ECEDMO CC1CC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001112080099 741352967 /nfs/dbraw/zinc/35/29/67/741352967.db2.gz ASLOSAGYAOBWDS-KIDURHIOSA-N 1 1 346.353 0.651 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC000974344766 741360150 /nfs/dbraw/zinc/36/01/50/741360150.db2.gz LNROTPDJMRCSFH-XYPHTWIQSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cccc(C(=O)NC)n3)C2)C1 ZINC000982133404 751631141 /nfs/dbraw/zinc/63/11/41/751631141.db2.gz OFMZFZIPFOCRDG-UHFFFAOYSA-N 1 1 326.400 0.612 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3nnc[nH]3)C2)nn1 ZINC001105207561 741474601 /nfs/dbraw/zinc/47/46/01/741474601.db2.gz ZRVYQEDFOQEUAQ-UHFFFAOYSA-N 1 1 330.396 0.078 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3COC(=O)C3)C2)nn1 ZINC001105210882 741479998 /nfs/dbraw/zinc/47/99/98/741479998.db2.gz BENADMWPBJMFKK-GFCCVEGCSA-N 1 1 333.392 0.280 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ncccc3O)C2)nn1 ZINC001105217606 741482103 /nfs/dbraw/zinc/48/21/03/741482103.db2.gz DWEITJZWUVWZLC-UHFFFAOYSA-N 1 1 328.376 0.742 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(N(C)C)cn3)C2)nn1 ZINC001105240160 741530189 /nfs/dbraw/zinc/53/01/89/741530189.db2.gz AVHNCHVEJOAHQD-UHFFFAOYSA-N 1 1 342.407 0.107 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240503 741531599 /nfs/dbraw/zinc/53/15/99/741531599.db2.gz PNTYZNBMTXQUBW-ZBFHGGJFSA-N 1 1 344.463 0.811 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1 ZINC001105238235 741532161 /nfs/dbraw/zinc/53/21/61/741532161.db2.gz QUGQVFQROGYHHV-UHFFFAOYSA-N 1 1 329.404 0.367 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)c3ccnn3C)C2)nn1 ZINC001105242703 741539683 /nfs/dbraw/zinc/53/96/83/741539683.db2.gz DFJVISOVSICHDC-LBPRGKRZSA-N 1 1 329.408 0.474 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc4[nH]cnc43)C2)nn1 ZINC001105252428 741561898 /nfs/dbraw/zinc/56/18/98/741561898.db2.gz QGVKNWPIQSNGIG-UHFFFAOYSA-N 1 1 338.375 0.522 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105264180 741598504 /nfs/dbraw/zinc/59/85/04/741598504.db2.gz ABQGNJLTILICPH-INIZCTEOSA-N 1 1 332.452 0.361 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CCF)c3)C2)nn1 ZINC001105275567 741621965 /nfs/dbraw/zinc/62/19/65/741621965.db2.gz UWYDKOKJJGIVRK-UHFFFAOYSA-N 1 1 347.398 0.807 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105275729 741623869 /nfs/dbraw/zinc/62/38/69/741623869.db2.gz ZROQTBKCLOSHIV-MRXNPFEDSA-N 1 1 345.451 0.395 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)[nH]c(=O)c3)C2)nn1 ZINC001105285277 741644883 /nfs/dbraw/zinc/64/48/83/741644883.db2.gz KUZVOCUPULJPHO-UHFFFAOYSA-N 1 1 342.403 0.914 20 30 ECEDMO CC#CCCCC(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001105308695 741710956 /nfs/dbraw/zinc/71/09/56/741710956.db2.gz TVAFMVIOVJDSLD-CQSZACIVSA-N 1 1 333.436 0.980 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CC[N@H+]1C ZINC001105312547 741729943 /nfs/dbraw/zinc/72/99/43/741729943.db2.gz RGJAOAFHIXEZPG-STQMWFEESA-N 1 1 331.424 0.005 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3C[C@H]3C)C2)nn1 ZINC001105320740 741775018 /nfs/dbraw/zinc/77/50/18/741775018.db2.gz IDUVVJWJPRMHTC-KGLIPLIRSA-N 1 1 333.436 1.000 20 30 ECEDMO CC1(C)C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974472427 741778233 /nfs/dbraw/zinc/77/82/33/741778233.db2.gz MOSZVXGXPUHKEE-CQSZACIVSA-N 1 1 327.392 0.618 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000982165442 751669275 /nfs/dbraw/zinc/66/92/75/751669275.db2.gz GINMJVHRRSSTIZ-AWEZNQCLSA-N 1 1 329.466 0.521 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)nn1 ZINC001105326835 741807778 /nfs/dbraw/zinc/80/77/78/741807778.db2.gz IMUZRMSRDWQHAL-CABCVRRESA-N 1 1 346.435 0.051 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC001026835098 741931847 /nfs/dbraw/zinc/93/18/47/741931847.db2.gz PXHVZMAWZMOHBE-CQSZACIVSA-N 1 1 332.404 0.610 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C(C)(C)C1 ZINC000974888653 742308073 /nfs/dbraw/zinc/30/80/73/742308073.db2.gz XAQDVOJMGFPFLB-ZFWWWQNUSA-N 1 1 330.432 0.997 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C(C)(C)C1 ZINC000974888653 742308079 /nfs/dbraw/zinc/30/80/79/742308079.db2.gz XAQDVOJMGFPFLB-ZFWWWQNUSA-N 1 1 330.432 0.997 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974995666 742423644 /nfs/dbraw/zinc/42/36/44/742423644.db2.gz MVMYNWRMNWUWRX-HUUCEWRRSA-N 1 1 341.415 0.566 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)CSC)C1 ZINC000975349231 742742589 /nfs/dbraw/zinc/74/25/89/742742589.db2.gz GDADYHHLUXLXNP-GJZGRUSLSA-N 1 1 337.489 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)CSC)C1 ZINC000975349231 742742592 /nfs/dbraw/zinc/74/25/92/742742592.db2.gz GDADYHHLUXLXNP-GJZGRUSLSA-N 1 1 337.489 0.802 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000975365081 742756213 /nfs/dbraw/zinc/75/62/13/742756213.db2.gz IWLNBHZCYLCLKG-STQMWFEESA-N 1 1 347.419 0.864 20 30 ECEDMO C#CCCN1CC[NH+](C2CCC(NC(=O)Cc3nnc[nH]3)CC2)CC1 ZINC000996795056 742875704 /nfs/dbraw/zinc/87/57/04/742875704.db2.gz IDYCPFGNBWZEQW-UHFFFAOYSA-N 1 1 344.463 0.416 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)cn1 ZINC001028935774 742917257 /nfs/dbraw/zinc/91/72/57/742917257.db2.gz LSDPVWCFAVVGOZ-AWEZNQCLSA-N 1 1 341.415 0.140 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC001028940633 742935559 /nfs/dbraw/zinc/93/55/59/742935559.db2.gz MJVWEYGFHXIVTK-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)cn1 ZINC001028940854 742937765 /nfs/dbraw/zinc/93/77/65/742937765.db2.gz QOKIPTFRSUVKOF-ZDUSSCGKSA-N 1 1 335.429 0.159 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCS(C)(=O)=O)C2)cn1 ZINC001028940854 742937774 /nfs/dbraw/zinc/93/77/74/742937774.db2.gz QOKIPTFRSUVKOF-ZDUSSCGKSA-N 1 1 335.429 0.159 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001028961238 742997253 /nfs/dbraw/zinc/99/72/53/742997253.db2.gz SSWOZRPVTTYJIJ-DZGCQCFKSA-N 1 1 345.447 0.811 20 30 ECEDMO N#Cc1cc(C(=O)NCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c[nH]1 ZINC001125994668 743122001 /nfs/dbraw/zinc/12/20/01/743122001.db2.gz IYWHZASSYYHNLY-LBPRGKRZSA-N 1 1 343.391 0.034 20 30 ECEDMO Cc1nnc(CNC(N[C@@H]2CN(C3CC3)C[C@@H]2C)=[NH+]C2CC2)n1C ZINC000261967823 743197459 /nfs/dbraw/zinc/19/74/59/743197459.db2.gz LWBBTKMKZKOCNA-XHDPSFHLSA-N 1 1 331.468 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CC)on2)C1 ZINC000997080321 743206006 /nfs/dbraw/zinc/20/60/06/743206006.db2.gz FLPBPHQDUVYNPY-HNNXBMFYSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CC)on2)C1 ZINC000997080321 743206009 /nfs/dbraw/zinc/20/60/09/743206009.db2.gz FLPBPHQDUVYNPY-HNNXBMFYSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#C)cn2)C1 ZINC000997088862 743218151 /nfs/dbraw/zinc/21/81/51/743218151.db2.gz YVLJFDXEKHJCPM-KRWDZBQOSA-N 1 1 336.395 0.101 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#C)cn2)C1 ZINC000997088862 743218155 /nfs/dbraw/zinc/21/81/55/743218155.db2.gz YVLJFDXEKHJCPM-KRWDZBQOSA-N 1 1 336.395 0.101 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nc1 ZINC000997091741 743223247 /nfs/dbraw/zinc/22/32/47/743223247.db2.gz CEFBURBIMKHDMW-KRWDZBQOSA-N 1 1 340.427 0.876 20 30 ECEDMO CN1CCN(c2cc(CNC(=[NH2+])N3CCSCC3)ccn2)CC1 ZINC000261977608 743239484 /nfs/dbraw/zinc/23/94/84/743239484.db2.gz GQUQWFDTTWRJGS-UHFFFAOYSA-N 1 1 334.493 0.697 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000997104197 743241006 /nfs/dbraw/zinc/24/10/06/743241006.db2.gz QGJZGZVWLIHQMQ-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](CNCc3nncs3)C2)CC1 ZINC001027233372 743243705 /nfs/dbraw/zinc/24/37/05/743243705.db2.gz BASVHDOOEZTWTC-CQSZACIVSA-N 1 1 347.488 0.821 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CNCc3nncs3)C2)CC1 ZINC001027233371 743244031 /nfs/dbraw/zinc/24/40/31/743244031.db2.gz BASVHDOOEZTWTC-AWEZNQCLSA-N 1 1 347.488 0.821 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CNCc3nc(C)no3)C2)CC1 ZINC001027233641 743245120 /nfs/dbraw/zinc/24/51/20/743245120.db2.gz GYPCAOSWNLARKT-HNNXBMFYSA-N 1 1 345.447 0.661 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3[nH]cnc3C)C2)C1=O ZINC001029026142 743319804 /nfs/dbraw/zinc/31/98/04/743319804.db2.gz OGXWJWQJBJRDCL-ZIAGYGMSSA-N 1 1 331.420 0.557 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000997234650 743385010 /nfs/dbraw/zinc/38/50/10/743385010.db2.gz ZFXVTCZHFWNMAB-KRWDZBQOSA-N 1 1 325.412 0.632 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)C1=O ZINC001027311388 743591888 /nfs/dbraw/zinc/59/18/88/743591888.db2.gz OZAHQAFKAZYQAY-UKRRQHHQSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001027311388 743591891 /nfs/dbraw/zinc/59/18/91/743591891.db2.gz OZAHQAFKAZYQAY-UKRRQHHQSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001027311388 743591894 /nfs/dbraw/zinc/59/18/94/743591894.db2.gz OZAHQAFKAZYQAY-UKRRQHHQSA-N 1 1 331.420 0.733 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000976273535 743751258 /nfs/dbraw/zinc/75/12/58/743751258.db2.gz NRCGSNPTEOLHST-BARDWOONSA-N 1 1 327.388 0.167 20 30 ECEDMO C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC000982283090 751861774 /nfs/dbraw/zinc/86/17/74/751861774.db2.gz MRYGQSHRNNYEDC-UOVPBQLFSA-N 1 1 332.448 0.544 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000976335471 743832847 /nfs/dbraw/zinc/83/28/47/743832847.db2.gz JUDUOPIGDRTXHR-CXTNEJHOSA-N 1 1 327.388 0.025 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976374358 743887109 /nfs/dbraw/zinc/88/71/09/743887109.db2.gz FSJYUFWALIBPLU-LQKXBSAESA-N 1 1 341.415 0.557 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CS(=O)(=O)C2)CC1 ZINC000998015036 743930961 /nfs/dbraw/zinc/93/09/61/743930961.db2.gz BUOAMKNQZGPYAN-HNNXBMFYSA-N 1 1 326.462 0.757 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000998142180 744001601 /nfs/dbraw/zinc/00/16/01/744001601.db2.gz LMQNQLBILLMUHG-CQSZACIVSA-N 1 1 348.447 0.587 20 30 ECEDMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027374619 744030302 /nfs/dbraw/zinc/03/03/02/744030302.db2.gz GLSPQDXGGRKTGY-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027374619 744030307 /nfs/dbraw/zinc/03/03/07/744030307.db2.gz GLSPQDXGGRKTGY-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000998195848 744043924 /nfs/dbraw/zinc/04/39/24/744043924.db2.gz ICBGBKQNLBUNET-AWEZNQCLSA-N 1 1 346.435 0.103 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCCN(CC(N)=O)CC2)CC1 ZINC000998197197 744044899 /nfs/dbraw/zinc/04/48/99/744044899.db2.gz KNKJALQWQUTWTE-QGZVFWFLSA-N 1 1 348.491 0.520 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2C)cn1 ZINC000976541273 744082282 /nfs/dbraw/zinc/08/22/82/744082282.db2.gz IHIZPSSCLWTGJT-VQFNDLOPSA-N 1 1 349.394 0.455 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 ZINC000998466385 744183269 /nfs/dbraw/zinc/18/32/69/744183269.db2.gz NCFFJGRROJJPLI-PMPSAXMXSA-N 1 1 326.400 0.853 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 ZINC000976676272 744187440 /nfs/dbraw/zinc/18/74/40/744187440.db2.gz SWAWPIFZRPMWDW-NBFUAULTSA-N 1 1 332.448 0.982 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]32)C1 ZINC000976670356 744203142 /nfs/dbraw/zinc/20/31/42/744203142.db2.gz KBQVEUTXTLGHQD-RFBLXINOSA-N 1 1 332.448 0.697 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)nn3)[C@H]2C)C1=O ZINC001088561967 751902445 /nfs/dbraw/zinc/90/24/45/751902445.db2.gz UDOWRWDWRRFLCS-YCPHGPKFSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C)nn3)[C@H]2C)C1=O ZINC001088561967 751902446 /nfs/dbraw/zinc/90/24/46/751902446.db2.gz UDOWRWDWRRFLCS-YCPHGPKFSA-N 1 1 343.431 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CC(OC)C3)C[C@H]21 ZINC000976737198 744262744 /nfs/dbraw/zinc/26/27/44/744262744.db2.gz QSVGTHZCWYKNRP-RMGMUHOQSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CC(OC)C3)C[C@H]21 ZINC000976737198 744262748 /nfs/dbraw/zinc/26/27/48/744262748.db2.gz QSVGTHZCWYKNRP-RMGMUHOQSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc[nH]c3C)C[C@H]21 ZINC000976739082 744265410 /nfs/dbraw/zinc/26/54/10/744265410.db2.gz IEQUVWPHPLWPBK-VVLHAWIVSA-N 1 1 340.427 0.607 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc[nH]c3C)C[C@H]21 ZINC000976739082 744265412 /nfs/dbraw/zinc/26/54/12/744265412.db2.gz IEQUVWPHPLWPBK-VVLHAWIVSA-N 1 1 340.427 0.607 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccoc3)C[C@H]21 ZINC000976739665 744265739 /nfs/dbraw/zinc/26/57/39/744265739.db2.gz IUGGLGSBNQFWQG-XUWVNRHRSA-N 1 1 327.384 0.564 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccoc3)C[C@H]21 ZINC000976739665 744265741 /nfs/dbraw/zinc/26/57/41/744265741.db2.gz IUGGLGSBNQFWQG-XUWVNRHRSA-N 1 1 327.384 0.564 20 30 ECEDMO C[C@H]([NH2+]C1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C ZINC000998645796 744265873 /nfs/dbraw/zinc/26/58/73/744265873.db2.gz MPJMRQAEQWYACS-GCVQQVDUSA-N 1 1 328.380 0.364 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC000976778471 744300502 /nfs/dbraw/zinc/30/05/02/744300502.db2.gz JJOONBWIBMOYNS-PQFRYHKHSA-N 1 1 331.376 0.082 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nocc2C)C1=O ZINC001028248184 751913024 /nfs/dbraw/zinc/91/30/24/751913024.db2.gz GFEGKRAZTPKFOV-KGLIPLIRSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nocc2C)C1=O ZINC001028248184 751913030 /nfs/dbraw/zinc/91/30/30/751913030.db2.gz GFEGKRAZTPKFOV-KGLIPLIRSA-N 1 1 332.404 0.964 20 30 ECEDMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nncn1C ZINC000998960001 744431300 /nfs/dbraw/zinc/43/13/00/744431300.db2.gz CKQKEVAQAZAYTE-DGCLKSJQSA-N 1 1 327.392 0.970 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001027446265 744483662 /nfs/dbraw/zinc/48/36/62/744483662.db2.gz DTQQDROARHDESS-MNOVXSKESA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001027446265 744483664 /nfs/dbraw/zinc/48/36/64/744483664.db2.gz DTQQDROARHDESS-MNOVXSKESA-N 1 1 328.800 0.260 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999183621 744554724 /nfs/dbraw/zinc/55/47/24/744554724.db2.gz VSFLOXIOYLFGJD-BMFZPTHFSA-N 1 1 333.436 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)co1 ZINC000977016844 744586848 /nfs/dbraw/zinc/58/68/48/744586848.db2.gz VVGJZUUURUQJGV-QSJFSLAZSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)co1 ZINC000977016844 744586852 /nfs/dbraw/zinc/58/68/52/744586852.db2.gz VVGJZUUURUQJGV-QSJFSLAZSA-N 1 1 341.411 0.872 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000977209058 744780830 /nfs/dbraw/zinc/78/08/30/744780830.db2.gz OTSYSMGRIGXNNY-CKTDYHTKSA-N 1 1 341.415 0.271 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977276323 744830671 /nfs/dbraw/zinc/83/06/71/744830671.db2.gz YNEZBUGDAWUAAB-STQMWFEESA-N 1 1 334.424 0.168 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977276323 744830673 /nfs/dbraw/zinc/83/06/73/744830673.db2.gz YNEZBUGDAWUAAB-STQMWFEESA-N 1 1 334.424 0.168 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000977299328 744841421 /nfs/dbraw/zinc/84/14/21/744841421.db2.gz CAQUABBETXATBM-CQSZACIVSA-N 1 1 346.435 0.029 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC([NH2+][C@H](C)c3nnnn3C)C2)nc1 ZINC000999704899 744855195 /nfs/dbraw/zinc/85/51/95/744855195.db2.gz BLGPFRNQKYUHPF-LMWSTFAQSA-N 1 1 339.403 0.540 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001027504371 744858427 /nfs/dbraw/zinc/85/84/27/744858427.db2.gz CSDSTBUROTUYAY-CQSZACIVSA-N 1 1 325.376 0.227 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)C1=O ZINC000977390707 744911784 /nfs/dbraw/zinc/91/17/84/744911784.db2.gz OKDNQURXEAFAJF-UONOGXRCSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)C1=O ZINC000977390707 744911787 /nfs/dbraw/zinc/91/17/87/744911787.db2.gz OKDNQURXEAFAJF-UONOGXRCSA-N 1 1 345.447 0.566 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC000999847714 744940599 /nfs/dbraw/zinc/94/05/99/744940599.db2.gz LVQYAMYWVPZYLR-ZDUSSCGKSA-N 1 1 326.400 0.488 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000977464703 745050679 /nfs/dbraw/zinc/05/06/79/745050679.db2.gz GOOBSDMGMRFYOO-SNVBAGLBSA-N 1 1 334.376 0.360 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)C(C)(C)C1 ZINC000977488178 745081909 /nfs/dbraw/zinc/08/19/09/745081909.db2.gz RPMQYFHKNCPUQA-OAHLLOKOSA-N 1 1 331.420 0.703 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)C(C)(C)C1 ZINC000977488178 745081916 /nfs/dbraw/zinc/08/19/16/745081916.db2.gz RPMQYFHKNCPUQA-OAHLLOKOSA-N 1 1 331.420 0.703 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]c(C)c3C)nn2)C1 ZINC000999961165 745104027 /nfs/dbraw/zinc/10/40/27/745104027.db2.gz HZEFTTJKLDJTCG-AWEZNQCLSA-N 1 1 329.408 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@H](CC)C(N)=O)CC2(C)C)nc1 ZINC000977520099 745112094 /nfs/dbraw/zinc/11/20/94/745112094.db2.gz BJENFEPDVFNOBN-CABCVRRESA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@H](CC)C(N)=O)CC2(C)C)nc1 ZINC000977520099 745112096 /nfs/dbraw/zinc/11/20/96/745112096.db2.gz BJENFEPDVFNOBN-CABCVRRESA-N 1 1 328.416 0.767 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccc(=O)[nH]3)nn2)C1 ZINC000999970874 745119156 /nfs/dbraw/zinc/11/91/56/745119156.db2.gz LJQWLECUJPERSW-CYBMUJFWSA-N 1 1 326.360 0.189 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3COCCN3C)nn2)C1 ZINC000999973556 745122012 /nfs/dbraw/zinc/12/20/12/745122012.db2.gz GJFVSPNJKPBSAW-CVEARBPZSA-N 1 1 348.451 0.048 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3C#N)C2)n1 ZINC001027532239 745123477 /nfs/dbraw/zinc/12/34/77/745123477.db2.gz XEJTUBUTYSFGSZ-OAHLLOKOSA-N 1 1 339.403 0.818 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3C#N)C2)n1 ZINC001027532239 745123480 /nfs/dbraw/zinc/12/34/80/745123480.db2.gz XEJTUBUTYSFGSZ-OAHLLOKOSA-N 1 1 339.403 0.818 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3oc(C)nc3C)nn2)C1 ZINC000999975800 745124358 /nfs/dbraw/zinc/12/43/58/745124358.db2.gz QYGPZUBMMVDUBJ-CQSZACIVSA-N 1 1 328.376 0.693 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)cn1 ZINC000977510062 745127907 /nfs/dbraw/zinc/12/79/07/745127907.db2.gz GSTLBRPIIILKIW-CVEARBPZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)cn1 ZINC000977510062 745127911 /nfs/dbraw/zinc/12/79/11/745127911.db2.gz GSTLBRPIIILKIW-CVEARBPZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CCC(O)CC3)nn2)C1 ZINC000999980388 745131360 /nfs/dbraw/zinc/13/13/60/745131360.db2.gz DJKYDLBZBSNPQB-SIWZUTFBSA-N 1 1 331.420 0.325 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nccc(C)n3)nn2)C1 ZINC000999984346 745136900 /nfs/dbraw/zinc/13/69/00/745136900.db2.gz LMFYHXOTPIYLDI-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)nn2)C1 ZINC000999986215 745140334 /nfs/dbraw/zinc/14/03/34/745140334.db2.gz FUCRJRDHBGFTEL-IXDOHACOSA-N 1 1 344.463 0.505 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999986215 745140337 /nfs/dbraw/zinc/14/03/37/745140337.db2.gz FUCRJRDHBGFTEL-IXDOHACOSA-N 1 1 344.463 0.505 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC(=O)N(C)C3)nn2)C1 ZINC000999988048 745143553 /nfs/dbraw/zinc/14/35/53/745143553.db2.gz SENZWRYNPMUDFF-ZFWWWQNUSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999987984 745143587 /nfs/dbraw/zinc/14/35/87/745143587.db2.gz RRTZKKGABQECRK-FVQBIDKESA-N 1 1 330.436 0.115 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999987984 745143589 /nfs/dbraw/zinc/14/35/89/745143589.db2.gz RRTZKKGABQECRK-FVQBIDKESA-N 1 1 330.436 0.115 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 ZINC000999990427 745147704 /nfs/dbraw/zinc/14/77/04/745147704.db2.gz KBLLWCCNQQZAIG-CQSZACIVSA-N 1 1 344.423 0.550 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC(=O)N(C)C)CC2(C)C)cn1 ZINC000977529409 745149641 /nfs/dbraw/zinc/14/96/41/745149641.db2.gz WRTRCWZGBIHOPV-HNNXBMFYSA-N 1 1 328.416 0.591 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(=O)N(C)C)CC2(C)C)cn1 ZINC000977529409 745149645 /nfs/dbraw/zinc/14/96/45/745149645.db2.gz WRTRCWZGBIHOPV-HNNXBMFYSA-N 1 1 328.416 0.591 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C)nn3)nn2)C1 ZINC000999992198 745149959 /nfs/dbraw/zinc/14/99/59/745149959.db2.gz PRTJXXGEEUEZPH-CQSZACIVSA-N 1 1 325.376 0.187 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnnn3CC)nn2)C1 ZINC000999993526 745152110 /nfs/dbraw/zinc/15/21/10/745152110.db2.gz WBTUJGCIBRGZDN-AWEZNQCLSA-N 1 1 344.423 0.642 20 30 ECEDMO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CCC(=O)N1 ZINC001006920574 751977804 /nfs/dbraw/zinc/97/78/04/751977804.db2.gz PWMIDWUZLIINAP-IAGOWNOFSA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCC(=O)N1 ZINC001006920574 751977807 /nfs/dbraw/zinc/97/78/07/751977807.db2.gz PWMIDWUZLIINAP-IAGOWNOFSA-N 1 1 325.412 0.897 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)nn2)C1 ZINC001000008121 745175846 /nfs/dbraw/zinc/17/58/46/745175846.db2.gz IPOGXZWCCBOADA-MWDXBVQZSA-N 1 1 345.447 1.000 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(=O)n3C)nn2)C1 ZINC001000018867 745188750 /nfs/dbraw/zinc/18/87/50/745188750.db2.gz QHMYOOFLXHGOFD-ZDUSSCGKSA-N 1 1 345.407 0.470 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000020236 745191412 /nfs/dbraw/zinc/19/14/12/745191412.db2.gz LEXLUOKASMRNAX-INIZCTEOSA-N 1 1 330.436 0.116 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001000023791 745194519 /nfs/dbraw/zinc/19/45/19/745194519.db2.gz DPGFCOBCYAOYFK-HNNXBMFYSA-N 1 1 327.392 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)nn3CC)nn2)C1 ZINC001000023549 745194710 /nfs/dbraw/zinc/19/47/10/745194710.db2.gz DAJWAGFQFXMRMV-OAHLLOKOSA-N 1 1 341.419 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)n[nH]c3C)nn2)C1 ZINC001000030182 745204653 /nfs/dbraw/zinc/20/46/53/745204653.db2.gz RKUVAKFIQCVGRX-CQSZACIVSA-N 1 1 327.392 0.428 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(CC)n3)nn2)C1 ZINC001000030703 745205589 /nfs/dbraw/zinc/20/55/89/745205589.db2.gz KYKGSLIUEWJRQR-AWEZNQCLSA-N 1 1 327.392 0.305 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CCO)C2)nn1 ZINC001000031367 745206137 /nfs/dbraw/zinc/20/61/37/745206137.db2.gz NQSHOWLULHPAAC-JYJNAYRXSA-N 1 1 349.435 0.115 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001000041490 745220235 /nfs/dbraw/zinc/22/02/35/745220235.db2.gz CCRBGIVFGNRYKN-AWEZNQCLSA-N 1 1 327.392 0.212 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nonc3C)nn2)C1 ZINC001000041396 745220679 /nfs/dbraw/zinc/22/06/79/745220679.db2.gz DKYHKIZCPOKHGI-CYBMUJFWSA-N 1 1 331.380 0.722 20 30 ECEDMO C[NH+]=C(NCCN1CCOC(C)(C)C1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261661138 751982211 /nfs/dbraw/zinc/98/22/11/751982211.db2.gz ARWVRHFVPCATCH-GDBMZVCRSA-N 1 1 337.512 0.745 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001006938200 751989637 /nfs/dbraw/zinc/98/96/37/751989637.db2.gz LORGGHSOOJSABX-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001006938200 751989643 /nfs/dbraw/zinc/98/96/43/751989643.db2.gz LORGGHSOOJSABX-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2c(OC)ncnc2OC)C(C)(C)C1 ZINC000977637238 745298749 /nfs/dbraw/zinc/29/87/49/745298749.db2.gz CWIASUCJMPKEID-LBPRGKRZSA-N 1 1 332.404 0.957 20 30 ECEDMO N#CCN1CCC(C2(NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC001000158075 745298953 /nfs/dbraw/zinc/29/89/53/745298953.db2.gz PJOIXWYHIZLWJN-CVEARBPZSA-N 1 1 332.448 0.734 20 30 ECEDMO N#CCN1CCC(C2(NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC001000158077 745299155 /nfs/dbraw/zinc/29/91/55/745299155.db2.gz PJOIXWYHIZLWJN-HOTGVXAUSA-N 1 1 332.448 0.734 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001000242822 745380040 /nfs/dbraw/zinc/38/00/40/745380040.db2.gz UNMJTTMTQMXHAI-IMJJTQAJSA-N 1 1 333.436 0.970 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027552342 745401768 /nfs/dbraw/zinc/40/17/68/745401768.db2.gz VMVLTRWRWJACLD-CVEARBPZSA-N 1 1 341.415 0.662 20 30 ECEDMO CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)C1 ZINC001083413413 745484103 /nfs/dbraw/zinc/48/41/03/745484103.db2.gz MJTXKGKAAURWKC-GLVOJVMSSA-N 1 1 332.404 0.476 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC001000479123 745534172 /nfs/dbraw/zinc/53/41/72/745534172.db2.gz WTBAXIIYPFTZPW-ORQFMDKSSA-N 1 1 329.444 0.990 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)CCN3C(=O)CNC3=O)C2)C1 ZINC001027566466 745561118 /nfs/dbraw/zinc/56/11/18/745561118.db2.gz JRMDRBVQSXTDEW-CQSZACIVSA-N 1 1 348.447 0.817 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)c1 ZINC001028269129 752016932 /nfs/dbraw/zinc/01/69/32/752016932.db2.gz GYEQJIKCMOHNSE-CVEARBPZSA-N 1 1 326.400 0.917 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)c1 ZINC001027568368 745593020 /nfs/dbraw/zinc/59/30/20/745593020.db2.gz GJBHRNDTNFUCAN-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cnnn3C)C2)c1 ZINC001027568607 745595999 /nfs/dbraw/zinc/59/59/99/745595999.db2.gz NZEHVBTXEMCBQQ-INIZCTEOSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cnnn3C)C2)c1 ZINC001027568607 745596002 /nfs/dbraw/zinc/59/60/02/745596002.db2.gz NZEHVBTXEMCBQQ-INIZCTEOSA-N 1 1 338.415 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CCOC1 ZINC000977921223 745650789 /nfs/dbraw/zinc/65/07/89/745650789.db2.gz QVYGUAHYNXWIOD-JYJNAYRXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CCOC1 ZINC000977921223 745650791 /nfs/dbraw/zinc/65/07/91/745650791.db2.gz QVYGUAHYNXWIOD-JYJNAYRXSA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CCN1CC=C(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001000693227 745704769 /nfs/dbraw/zinc/70/47/69/745704769.db2.gz PVDFLMZPDQOVLU-UHFFFAOYSA-N 1 1 329.448 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCN(C)C2=O)cn1 ZINC001028271129 752026531 /nfs/dbraw/zinc/02/65/31/752026531.db2.gz ZELYYBXSULJJLG-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCN(C)C2=O)cn1 ZINC001028271129 752026539 /nfs/dbraw/zinc/02/65/39/752026539.db2.gz ZELYYBXSULJJLG-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)NC2CC2)cn1 ZINC001028271078 752029043 /nfs/dbraw/zinc/02/90/43/752029043.db2.gz YBKICVYHKVVFBC-DYVFJYSZSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2CC2)cn1 ZINC001028271078 752029050 /nfs/dbraw/zinc/02/90/50/752029050.db2.gz YBKICVYHKVVFBC-DYVFJYSZSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001000792346 745770310 /nfs/dbraw/zinc/77/03/10/745770310.db2.gz AEVGJKMYKXOSBH-MRXNPFEDSA-N 1 1 338.415 0.515 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCNC2=O)nc1 ZINC001028271231 752032034 /nfs/dbraw/zinc/03/20/34/752032034.db2.gz CFHXFVWVIKOOFG-OAHLLOKOSA-N 1 1 341.415 0.282 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1)C1CC1 ZINC000978017567 745802606 /nfs/dbraw/zinc/80/26/06/745802606.db2.gz DQTFLMGSDJTARV-QKDCVEJESA-N 1 1 341.415 0.415 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)c[nH]1 ZINC000978029575 745830710 /nfs/dbraw/zinc/83/07/10/745830710.db2.gz OSSOCMUHJZMTNZ-QKDCVEJESA-N 1 1 327.388 0.073 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000984112045 745845084 /nfs/dbraw/zinc/84/50/84/745845084.db2.gz FKZRNKFRFUJTLU-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC000978067855 745852434 /nfs/dbraw/zinc/85/24/34/745852434.db2.gz VYISLUPAIVSKNN-XQLPTFJDSA-N 1 1 327.388 0.025 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001059320428 745889912 /nfs/dbraw/zinc/88/99/12/745889912.db2.gz IRBUDIXUXYXXHZ-KKUMJFAQSA-N 1 1 342.447 0.807 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC000978096655 745912734 /nfs/dbraw/zinc/91/27/34/745912734.db2.gz KRPMEXIXQGSITI-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccnc(C#N)n1 ZINC001126537504 745979506 /nfs/dbraw/zinc/97/95/06/745979506.db2.gz BGJRAUHIURDUHI-ZIAGYGMSSA-N 1 1 346.435 0.257 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC000978171473 746006009 /nfs/dbraw/zinc/00/60/09/746006009.db2.gz ZTVCUIWDXPMHGG-MTSZKFMLSA-N 1 1 345.447 0.590 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC000978171473 746006016 /nfs/dbraw/zinc/00/60/16/746006016.db2.gz ZTVCUIWDXPMHGG-MTSZKFMLSA-N 1 1 345.447 0.590 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc([C@H]4CCCN4C)n[nH]3)[C@@H]2C1 ZINC000978221241 746069940 /nfs/dbraw/zinc/06/99/40/746069940.db2.gz JXDAMQJVIPBKKO-VWPFQQQWSA-N 1 1 327.432 0.717 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4ccn(C)n4)on3)[C@@H]2C1 ZINC000978223341 746072567 /nfs/dbraw/zinc/07/25/67/746072567.db2.gz RPTHOKZFOMQJDZ-XYYAHUGASA-N 1 1 325.372 0.616 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)[C@@H]2C1 ZINC000978252540 746086537 /nfs/dbraw/zinc/08/65/37/746086537.db2.gz ZSOQMYYWUVRZPW-FPCVCCKLSA-N 1 1 331.460 0.951 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3CNC(=O)N3)CC2)cc1 ZINC001001115663 746088845 /nfs/dbraw/zinc/08/88/45/746088845.db2.gz XFXLFMJTGQUBQL-INIZCTEOSA-N 1 1 339.399 0.488 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)CCn3cncn3)C2)nn1 ZINC001027606402 746130804 /nfs/dbraw/zinc/13/08/04/746130804.db2.gz FGKIIDXRBLIGMF-AWEZNQCLSA-N 1 1 344.423 0.292 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3cnns3)C[C@H]21 ZINC000978279932 746141737 /nfs/dbraw/zinc/14/17/37/746141737.db2.gz HHZNWQAQNBPHJW-JONQDZQNSA-N 1 1 345.472 0.430 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3cnns3)C[C@H]21 ZINC000978279932 746141739 /nfs/dbraw/zinc/14/17/39/746141739.db2.gz HHZNWQAQNBPHJW-JONQDZQNSA-N 1 1 345.472 0.430 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)[C@@H]2C1 ZINC000978283101 746145794 /nfs/dbraw/zinc/14/57/94/746145794.db2.gz OUTOXINFFMAVID-DZVNLGKHSA-N 1 1 342.443 0.815 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3c3ncccn3)[C@@H]2C1 ZINC000978286101 746150192 /nfs/dbraw/zinc/15/01/92/746150192.db2.gz WVNVQUJSXKRLHM-JONQDZQNSA-N 1 1 325.416 0.373 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC001001208526 746161743 /nfs/dbraw/zinc/16/17/43/746161743.db2.gz VWVDLBLDTHTMDC-MRXNPFEDSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1CC ZINC001087668085 746164665 /nfs/dbraw/zinc/16/46/65/746164665.db2.gz BJOCYQQNWHDUAK-XDNAFOTISA-N 1 1 349.475 0.469 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001001217952 746171799 /nfs/dbraw/zinc/17/17/99/746171799.db2.gz HPSFLLUIBSAYIX-OAHLLOKOSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)cc1 ZINC001001231504 746190191 /nfs/dbraw/zinc/19/01/91/746190191.db2.gz CKXAYWFKUSOZIW-UHFFFAOYSA-N 1 1 327.384 0.546 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)cc1 ZINC001001231504 746190195 /nfs/dbraw/zinc/19/01/95/746190195.db2.gz CKXAYWFKUSOZIW-UHFFFAOYSA-N 1 1 327.384 0.546 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001001305837 746263897 /nfs/dbraw/zinc/26/38/97/746263897.db2.gz ZUUHRLFHVVYCGO-ZDUSSCGKSA-N 1 1 343.855 0.670 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001001305837 746263901 /nfs/dbraw/zinc/26/39/01/746263901.db2.gz ZUUHRLFHVVYCGO-ZDUSSCGKSA-N 1 1 343.855 0.670 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1CC ZINC001087761590 746295915 /nfs/dbraw/zinc/29/59/15/746295915.db2.gz AUOBDODTWJZNGV-NWDGAFQWSA-N 1 1 327.812 0.761 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1CC ZINC001087761590 746295917 /nfs/dbraw/zinc/29/59/17/746295917.db2.gz AUOBDODTWJZNGV-NWDGAFQWSA-N 1 1 327.812 0.761 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001001367417 746314213 /nfs/dbraw/zinc/31/42/13/746314213.db2.gz XPRSJIOSRRMCQK-UHFFFAOYSA-N 1 1 332.360 0.282 20 30 ECEDMO C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC000982384566 752083528 /nfs/dbraw/zinc/08/35/28/752083528.db2.gz DAWPFBMAESQKAH-WZTPKPFXSA-N 1 1 344.459 0.544 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccnnc1 ZINC000978474561 746364757 /nfs/dbraw/zinc/36/47/57/746364757.db2.gz PWXVGBGYKKJBGA-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccnnc1 ZINC000978474561 746364762 /nfs/dbraw/zinc/36/47/62/746364762.db2.gz PWXVGBGYKKJBGA-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)cc1 ZINC000978571485 746449898 /nfs/dbraw/zinc/44/98/98/746449898.db2.gz BGVXDSGUTOTKQE-OSYLJGHBSA-N 1 1 346.452 0.620 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)cc1 ZINC000978571485 746449901 /nfs/dbraw/zinc/44/99/01/746449901.db2.gz BGVXDSGUTOTKQE-OSYLJGHBSA-N 1 1 346.452 0.620 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)C3CCC3)C2)C1=O ZINC001087853176 746505086 /nfs/dbraw/zinc/50/50/86/746505086.db2.gz BKYHERXEPOUEQT-SJORKVTESA-N 1 1 349.475 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC000978632497 746505989 /nfs/dbraw/zinc/50/59/89/746505989.db2.gz LLNZTHVCZMVUEY-OWUUHHOZSA-N 1 1 341.213 0.026 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC000978646194 746538642 /nfs/dbraw/zinc/53/86/42/746538642.db2.gz XKCHWIMLSYPNPI-TUVASFSCSA-N 1 1 329.448 0.790 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)c1 ZINC000978679388 746576627 /nfs/dbraw/zinc/57/66/27/746576627.db2.gz ATSKUNIGZUGLCN-OSYLJGHBSA-N 1 1 338.411 0.203 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000978698081 746593598 /nfs/dbraw/zinc/59/35/98/746593598.db2.gz QNBIMZMKYBEBTD-KCQAQPDRSA-N 1 1 343.431 0.853 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978732306 746645529 /nfs/dbraw/zinc/64/55/29/746645529.db2.gz MBOPVRLESHQGKP-XBXGTLAGSA-N 1 1 340.387 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC000978742052 746668405 /nfs/dbraw/zinc/66/84/05/746668405.db2.gz XGENRDBXFXIEEH-UAGQMJEPSA-N 1 1 345.443 0.442 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC000978742052 746668407 /nfs/dbraw/zinc/66/84/07/746668407.db2.gz XGENRDBXFXIEEH-UAGQMJEPSA-N 1 1 345.443 0.442 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087938634 746688643 /nfs/dbraw/zinc/68/86/43/746688643.db2.gz DOGFZWSNJRRJLM-OLZOCXBDSA-N 1 1 329.404 0.368 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(CNC(C)=O)s3)[C@@H]2C1 ZINC000978771023 746690201 /nfs/dbraw/zinc/69/02/01/746690201.db2.gz MWWVJHFPKRMVGR-QKDCVEJESA-N 1 1 331.441 0.925 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001027667932 746695341 /nfs/dbraw/zinc/69/53/41/746695341.db2.gz YWALYQDHYIVKFV-GJZGRUSLSA-N 1 1 343.855 0.909 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001027667932 746695343 /nfs/dbraw/zinc/69/53/43/746695343.db2.gz YWALYQDHYIVKFV-GJZGRUSLSA-N 1 1 343.855 0.909 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)c1 ZINC001029466904 746700022 /nfs/dbraw/zinc/70/00/22/746700022.db2.gz PSZUHSXNXMZTAA-CALCHBBNSA-N 1 1 336.399 0.643 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)c1 ZINC001029466904 746700025 /nfs/dbraw/zinc/70/00/25/746700025.db2.gz PSZUHSXNXMZTAA-CALCHBBNSA-N 1 1 336.399 0.643 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC000978796789 746737456 /nfs/dbraw/zinc/73/74/56/746737456.db2.gz XWCXCOSOMOVPCA-QKDCVEJESA-N 1 1 326.462 0.681 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@H]32)nn1 ZINC000978817065 746743176 /nfs/dbraw/zinc/74/31/76/746743176.db2.gz MREUXYSMNZBDHO-YHUYYLMFSA-N 1 1 345.447 0.798 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)CSCC#N ZINC001211886692 746744754 /nfs/dbraw/zinc/74/47/54/746744754.db2.gz UWJROYLMXYNIIY-HZPDHXFCSA-N 1 1 349.456 0.751 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)CSCC#N ZINC001211886692 746744755 /nfs/dbraw/zinc/74/47/55/746744755.db2.gz UWJROYLMXYNIIY-HZPDHXFCSA-N 1 1 349.456 0.751 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3csc(-c4nc[nH]n4)n3)[C@@H]2C1 ZINC000978837465 746762686 /nfs/dbraw/zinc/76/26/86/746762686.db2.gz FTNJYAWIESMIJF-RTCCRHLQSA-N 1 1 328.401 0.469 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccncn4)[C@@H]3C2)C1=O ZINC000978868336 746818541 /nfs/dbraw/zinc/81/85/41/746818541.db2.gz OYTUKHRNABQLPZ-HGTKMLMNSA-N 1 1 341.415 0.171 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@@H]2C1 ZINC001087985071 746856321 /nfs/dbraw/zinc/85/63/21/746856321.db2.gz BLEGNELWTINBDW-RDBSUJKOSA-N 1 1 325.840 0.998 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@@H]2C1 ZINC001087985071 746856325 /nfs/dbraw/zinc/85/63/25/746856325.db2.gz BLEGNELWTINBDW-RDBSUJKOSA-N 1 1 325.840 0.998 20 30 ECEDMO CCc1nc(C#N)cc(N(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001105404241 746867818 /nfs/dbraw/zinc/86/78/18/746867818.db2.gz RAHIZRWMLPUHBI-ZDUSSCGKSA-N 1 1 330.436 0.757 20 30 ECEDMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007152327 752131798 /nfs/dbraw/zinc/13/17/98/752131798.db2.gz MVFXMISDZFFJIG-MRXNPFEDSA-N 1 1 339.399 0.616 20 30 ECEDMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007152327 752131804 /nfs/dbraw/zinc/13/18/04/752131804.db2.gz MVFXMISDZFFJIG-MRXNPFEDSA-N 1 1 339.399 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C2CC(OC)C2)C1 ZINC000978922992 746903130 /nfs/dbraw/zinc/90/31/30/746903130.db2.gz RQFKFMQZYJJMFE-VMNICZJSSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C2CC(OC)C2)C1 ZINC000978922992 746903136 /nfs/dbraw/zinc/90/31/36/746903136.db2.gz RQFKFMQZYJJMFE-VMNICZJSSA-N 1 1 347.459 0.520 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCCC1=O ZINC001029482170 746903588 /nfs/dbraw/zinc/90/35/88/746903588.db2.gz YDAUSMVQDHBTEX-TWMKSMIVSA-N 1 1 347.459 0.875 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCCC1=O ZINC001029482170 746903589 /nfs/dbraw/zinc/90/35/89/746903589.db2.gz YDAUSMVQDHBTEX-TWMKSMIVSA-N 1 1 347.459 0.875 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4n[nH]nc4C3)[C@@H]2C1 ZINC000978940043 746919827 /nfs/dbraw/zinc/91/98/27/746919827.db2.gz JSVJJQPPCCXYDG-ZDEQEGDKSA-N 1 1 335.839 0.956 20 30 ECEDMO N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001059446568 746984545 /nfs/dbraw/zinc/98/45/45/746984545.db2.gz ZUHFAMCPWKGKAB-JKQORVJESA-N 1 1 341.415 0.297 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc4ncc(C)cn4n3)C[C@@H]2C1 ZINC001088006534 747034347 /nfs/dbraw/zinc/03/43/47/747034347.db2.gz KRJVHQMJAWNBBV-CABCVRRESA-N 1 1 338.415 0.850 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)cn1 ZINC000979008964 747039646 /nfs/dbraw/zinc/03/96/46/747039646.db2.gz UALSDOOSSGRKAD-JONQDZQNSA-N 1 1 326.400 0.234 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1 ZINC000979056688 747098805 /nfs/dbraw/zinc/09/88/05/747098805.db2.gz DASVNRSCRIJIGZ-RTCCRHLQSA-N 1 1 338.795 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H](C)OC ZINC001002234269 747109868 /nfs/dbraw/zinc/10/98/68/747109868.db2.gz YELWHCQRPCRBLT-OAGGEKHMSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H](C)OC ZINC001002234269 747109873 /nfs/dbraw/zinc/10/98/73/747109873.db2.gz YELWHCQRPCRBLT-OAGGEKHMSA-N 1 1 335.448 0.568 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@@H]2C1 ZINC000979099201 747176600 /nfs/dbraw/zinc/17/66/00/747176600.db2.gz GSMBAMXHTPVRQT-XYYAHUGASA-N 1 1 334.807 0.841 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nonc4C)[C@@H]3C2)C1=O ZINC000979117885 747182359 /nfs/dbraw/zinc/18/23/59/747182359.db2.gz QXGWEEPGUQEIBF-YIYPIFLZSA-N 1 1 345.403 0.073 20 30 ECEDMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)CC[C@@H]2C1 ZINC001088087510 747329995 /nfs/dbraw/zinc/32/99/95/747329995.db2.gz ZIIYRRUACUEHQD-CABCVRRESA-N 1 1 345.830 0.957 20 30 ECEDMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CC[C@@H]2C1 ZINC001088088792 747344190 /nfs/dbraw/zinc/34/41/90/747344190.db2.gz MROBSARBSLAWGO-CABCVRRESA-N 1 1 345.830 0.957 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001211890934 747345639 /nfs/dbraw/zinc/34/56/39/747345639.db2.gz BTIJFCSEHQSCPN-IAGOWNOFSA-N 1 1 344.415 0.352 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001211890934 747345644 /nfs/dbraw/zinc/34/56/44/747345644.db2.gz BTIJFCSEHQSCPN-IAGOWNOFSA-N 1 1 344.415 0.352 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C[C@@H]2C1 ZINC001088136687 747472168 /nfs/dbraw/zinc/47/21/68/747472168.db2.gz BIEQMIPHJCWQQU-ILXRZTDVSA-N 1 1 341.477 0.377 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2C)C1=O ZINC001027758450 747475405 /nfs/dbraw/zinc/47/54/05/747475405.db2.gz ZAIXGDXRQACCCM-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2C)C1=O ZINC001027758450 747475409 /nfs/dbraw/zinc/47/54/09/747475409.db2.gz ZAIXGDXRQACCCM-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001087442112 752187166 /nfs/dbraw/zinc/18/71/66/752187166.db2.gz SRJNVYXRMLYZSU-IXDOHACOSA-N 1 1 325.412 0.873 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001087442112 752187172 /nfs/dbraw/zinc/18/71/72/752187172.db2.gz SRJNVYXRMLYZSU-IXDOHACOSA-N 1 1 325.412 0.873 20 30 ECEDMO C[C@@H]1CN(C(=[NH2+])NCc2n[nH]c(COc3ccccc3)n2)CCO1 ZINC000262429525 747523087 /nfs/dbraw/zinc/52/30/87/747523087.db2.gz DPSXOYYWFIHBIM-GFCCVEGCSA-N 1 1 330.392 0.919 20 30 ECEDMO C[C@@H]1CN(C(=[NH2+])NCc2nnc(COc3ccccc3)[nH]2)CCO1 ZINC000262429525 747523090 /nfs/dbraw/zinc/52/30/90/747523090.db2.gz DPSXOYYWFIHBIM-GFCCVEGCSA-N 1 1 330.392 0.919 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncnn1C)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979291590 747524256 /nfs/dbraw/zinc/52/42/56/747524256.db2.gz KKTHWEKZCUVKJR-RISCZKNCSA-N 1 1 343.391 0.034 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)CNC(C)=O)C2)nn1 ZINC001105342412 747545011 /nfs/dbraw/zinc/54/50/11/747545011.db2.gz CMYGCDCOWJSORZ-UHFFFAOYSA-N 1 1 348.451 0.489 20 30 ECEDMO Cc1cnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)nc1 ZINC000979333032 747657594 /nfs/dbraw/zinc/65/75/94/747657594.db2.gz MSRRVMJSNGOVOU-GDBMZVCRSA-N 1 1 328.416 0.904 20 30 ECEDMO CC(C)n1ncnc1C[NH2+][C@H](C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979332904 747657604 /nfs/dbraw/zinc/65/76/04/747657604.db2.gz MJDFKBCVNDUTKN-GDBMZVCRSA-N 1 1 345.447 0.978 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)CC1 ZINC001098722660 747677994 /nfs/dbraw/zinc/67/79/94/747677994.db2.gz PMHLXPXCIPDIQB-INIZCTEOSA-N 1 1 333.436 0.880 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]Cc3cnn(C)n3)C2)C1 ZINC000979375879 747702683 /nfs/dbraw/zinc/70/26/83/747702683.db2.gz ITOJIEDPNISWKO-HIFRSBDPSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC001088194647 747708244 /nfs/dbraw/zinc/70/82/44/747708244.db2.gz PGNODTNJEOTLHR-OLZOCXBDSA-N 1 1 329.404 0.546 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cnco1 ZINC001002730670 747709967 /nfs/dbraw/zinc/70/99/67/747709967.db2.gz SCLAMXZBSBNLRU-GJZGRUSLSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cnco1 ZINC001002730670 747709971 /nfs/dbraw/zinc/70/99/71/747709971.db2.gz SCLAMXZBSBNLRU-GJZGRUSLSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@@H]2C1 ZINC001088199499 747725660 /nfs/dbraw/zinc/72/56/60/747725660.db2.gz QMMLOVSLWWGTRB-CABCVRRESA-N 1 1 338.415 0.470 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)COc3cccc(C(N)=O)c3)C[C@@H]2C1 ZINC001088210586 747744701 /nfs/dbraw/zinc/74/47/01/747744701.db2.gz QXTZMFCRFCGLGN-CVEARBPZSA-N 1 1 341.411 0.578 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)c2ccc(C#N)nn2)C1 ZINC001112181034 747763768 /nfs/dbraw/zinc/76/37/68/747763768.db2.gz BCTJXTXRMVNGFQ-CQSZACIVSA-N 1 1 330.436 0.975 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CCn3ccnn3)CC2)C1 ZINC001088230634 747784086 /nfs/dbraw/zinc/78/40/86/747784086.db2.gz VPTLHLFOEWJZGS-KRWDZBQOSA-N 1 1 345.447 0.631 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001088233248 747789935 /nfs/dbraw/zinc/78/99/35/747789935.db2.gz LQTQCKVAEHHNBY-MRXNPFEDSA-N 1 1 345.447 0.782 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985364242 747799104 /nfs/dbraw/zinc/79/91/04/747799104.db2.gz COTJKDJBNVRJMJ-NSHDSACASA-N 1 1 342.407 0.707 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985364242 747799108 /nfs/dbraw/zinc/79/91/08/747799108.db2.gz COTJKDJBNVRJMJ-NSHDSACASA-N 1 1 342.407 0.707 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)CC3)C2)C1=O ZINC001020818452 752208561 /nfs/dbraw/zinc/20/85/61/752208561.db2.gz NEHOWDFJWZOAJR-ULQDDVLXSA-N 1 1 348.491 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@]2(C)CCCOC2)C1 ZINC001002826950 747841240 /nfs/dbraw/zinc/84/12/40/747841240.db2.gz QYNPFPDGZSSNNZ-QFBILLFUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@]2(C)CCCOC2)C1 ZINC001002826950 747841246 /nfs/dbraw/zinc/84/12/46/747841246.db2.gz QYNPFPDGZSSNNZ-QFBILLFUSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001088237574 747844719 /nfs/dbraw/zinc/84/47/19/747844719.db2.gz XVAYNJZFPHCCAV-OAHLLOKOSA-N 1 1 335.448 0.767 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001088237577 747844946 /nfs/dbraw/zinc/84/49/46/747844946.db2.gz XXDNPNICYHZWKQ-HNNXBMFYSA-N 1 1 333.432 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)ncn2)C1 ZINC001002830011 747846804 /nfs/dbraw/zinc/84/68/04/747846804.db2.gz PQSKHPSBFOUDFR-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)ncn2)C1 ZINC001002830011 747846816 /nfs/dbraw/zinc/84/68/16/747846816.db2.gz PQSKHPSBFOUDFR-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC23CCC3)C1 ZINC001002837151 747859360 /nfs/dbraw/zinc/85/93/60/747859360.db2.gz YNMPDNKLEQEMGK-CVEARBPZSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC23CCC3)C1 ZINC001002837151 747859366 /nfs/dbraw/zinc/85/93/66/747859366.db2.gz YNMPDNKLEQEMGK-CVEARBPZSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nc(C)c[nH]2)C1 ZINC001002836946 747859955 /nfs/dbraw/zinc/85/99/55/747859955.db2.gz WPSOOPPYDDLWIP-AWEZNQCLSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nc(C)c[nH]2)C1 ZINC001002836946 747859964 /nfs/dbraw/zinc/85/99/64/747859964.db2.gz WPSOOPPYDDLWIP-AWEZNQCLSA-N 1 1 329.404 0.004 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000988500959 752219441 /nfs/dbraw/zinc/21/94/41/752219441.db2.gz LSQANDKEVMALGX-YPMHNXCESA-N 1 1 342.407 0.676 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 ZINC001088239392 747883777 /nfs/dbraw/zinc/88/37/77/747883777.db2.gz UQBUHYUAZBNOJD-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001088240108 747943004 /nfs/dbraw/zinc/94/30/04/747943004.db2.gz PFKQUCOAYLWSNW-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001007258368 752230059 /nfs/dbraw/zinc/23/00/59/752230059.db2.gz IXHSENMIQIYIIZ-CABCVRRESA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001007258368 752230063 /nfs/dbraw/zinc/23/00/63/752230063.db2.gz IXHSENMIQIYIIZ-CABCVRRESA-N 1 1 328.372 0.747 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029712293 748139030 /nfs/dbraw/zinc/13/90/30/748139030.db2.gz PAKAGIDWAZMNHY-NEPJUHHUSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029712293 748139032 /nfs/dbraw/zinc/13/90/32/748139032.db2.gz PAKAGIDWAZMNHY-NEPJUHHUSA-N 1 1 342.407 0.565 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ncc[nH]3)C2)C1=O ZINC001029733526 748176357 /nfs/dbraw/zinc/17/63/57/748176357.db2.gz JLXYSSVWYHJPSJ-KGLIPLIRSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(CCOC)nn3)C[C@@H]2C1 ZINC000979666038 748188652 /nfs/dbraw/zinc/18/86/52/748188652.db2.gz ABNAQOKOSRDHQD-ZNMIVQPWSA-N 1 1 331.420 0.388 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985476910 748212318 /nfs/dbraw/zinc/21/23/18/748212318.db2.gz WHWIKKIGRRTWSC-IRXDYDNUSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC(=O)N2CCC2)CC1 ZINC000985476918 748212567 /nfs/dbraw/zinc/21/25/67/748212567.db2.gz WMARLOZIMOPCTB-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C)ncn2)C1=O ZINC001027828281 748225977 /nfs/dbraw/zinc/22/59/77/748225977.db2.gz IPXNDBFNCFSUJT-HOCLYGCPSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C)ncn2)C1=O ZINC001027828281 748225985 /nfs/dbraw/zinc/22/59/85/748225985.db2.gz IPXNDBFNCFSUJT-HOCLYGCPSA-N 1 1 343.431 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC000979723974 748290264 /nfs/dbraw/zinc/29/02/64/748290264.db2.gz FRCWXZNHZKZVEW-XUXIUFHCSA-N 1 1 339.386 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC000979723974 748290270 /nfs/dbraw/zinc/29/02/70/748290270.db2.gz FRCWXZNHZKZVEW-XUXIUFHCSA-N 1 1 339.386 0.750 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC000979793432 748408815 /nfs/dbraw/zinc/40/88/15/748408815.db2.gz FSOJNZUFPWOIIM-JYJNAYRXSA-N 1 1 335.448 0.638 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC000985531728 748422492 /nfs/dbraw/zinc/42/24/92/748422492.db2.gz LCPFBOZSIBCCSB-UHFFFAOYSA-N 1 1 334.420 0.612 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3cnn(C)n3)C2)nn1 ZINC001098727777 748429410 /nfs/dbraw/zinc/42/94/10/748429410.db2.gz HNJPMTWFRLSMIH-HNNXBMFYSA-N 1 1 344.423 0.088 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001027845095 748558955 /nfs/dbraw/zinc/55/89/55/748558955.db2.gz HJFBYPZUGZMYKQ-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001027845095 748558961 /nfs/dbraw/zinc/55/89/61/748558961.db2.gz HJFBYPZUGZMYKQ-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)cn1 ZINC001003471267 748588854 /nfs/dbraw/zinc/58/88/54/748588854.db2.gz FVEVLNMAMJEZKP-HZPDHXFCSA-N 1 1 349.394 0.778 20 30 ECEDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)C(N)=O)C2)cc1C#N ZINC001029820999 748595987 /nfs/dbraw/zinc/59/59/87/748595987.db2.gz ILCAHBLCUDDAIR-ZDUSSCGKSA-N 1 1 330.388 0.332 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029821571 748598346 /nfs/dbraw/zinc/59/83/46/748598346.db2.gz OLRPRYGUZMGVLU-HOTGVXAUSA-N 1 1 341.415 0.520 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)c1 ZINC001029834309 748665145 /nfs/dbraw/zinc/66/51/45/748665145.db2.gz CKMMQCAODYLRPA-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CC3)C[C@@H]2C1 ZINC000985604850 748727877 /nfs/dbraw/zinc/72/78/77/748727877.db2.gz XIVUSQMDJNYECL-IKGGRYGDSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CC3)C[C@@H]2C1 ZINC000985604850 748727880 /nfs/dbraw/zinc/72/78/80/748727880.db2.gz XIVUSQMDJNYECL-IKGGRYGDSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]2C1 ZINC000979980305 748757758 /nfs/dbraw/zinc/75/77/58/748757758.db2.gz VUCPWCMMRFOXQA-KKUMJFAQSA-N 1 1 328.416 0.850 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000979966765 748758330 /nfs/dbraw/zinc/75/83/30/748758330.db2.gz FSGJXBCHKFGLJX-QAETUUGQSA-N 1 1 346.475 0.047 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnon1 ZINC001003675865 748784385 /nfs/dbraw/zinc/78/43/85/748784385.db2.gz ANZOVPJRQFAVAD-UXOAXIEHSA-N 1 1 343.387 0.029 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnon1 ZINC001003675865 748784388 /nfs/dbraw/zinc/78/43/88/748784388.db2.gz ANZOVPJRQFAVAD-UXOAXIEHSA-N 1 1 343.387 0.029 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)c1 ZINC001027859439 748791514 /nfs/dbraw/zinc/79/15/14/748791514.db2.gz QQTZPTZUVVXHFI-CABCVRRESA-N 1 1 328.372 0.747 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001059610741 748797720 /nfs/dbraw/zinc/79/77/20/748797720.db2.gz LGYBPGPFEHBANH-KRWDZBQOSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nc4ncc(C)cn4n3)C[C@H]2C1 ZINC000980001011 748807364 /nfs/dbraw/zinc/80/73/64/748807364.db2.gz NPCLNCBYORRVOP-SOUVJXGZSA-N 1 1 338.415 0.896 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059614772 748820363 /nfs/dbraw/zinc/82/03/63/748820363.db2.gz WZGWVDIGHANKCX-IXDOHACOSA-N 1 1 349.475 0.720 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059614772 748820365 /nfs/dbraw/zinc/82/03/65/748820365.db2.gz WZGWVDIGHANKCX-IXDOHACOSA-N 1 1 349.475 0.720 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)C1=O ZINC001029852887 748829379 /nfs/dbraw/zinc/82/93/79/748829379.db2.gz JJPJADWGWFQYSR-GDBMZVCRSA-N 1 1 345.447 0.519 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001003763069 748870283 /nfs/dbraw/zinc/87/02/83/748870283.db2.gz KEDBKSBGQDATCR-JYJNAYRXSA-N 1 1 335.448 0.827 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001059624283 748874427 /nfs/dbraw/zinc/87/44/27/748874427.db2.gz MJAWPPIZEUGXJM-MSOLQXFVSA-N 1 1 341.455 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001059624283 748874432 /nfs/dbraw/zinc/87/44/32/748874432.db2.gz MJAWPPIZEUGXJM-MSOLQXFVSA-N 1 1 341.455 0.852 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059624603 748877629 /nfs/dbraw/zinc/87/76/29/748877629.db2.gz SXHHMERRFUFYCE-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059624603 748877637 /nfs/dbraw/zinc/87/76/37/748877637.db2.gz SXHHMERRFUFYCE-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001059624589 748877772 /nfs/dbraw/zinc/87/77/72/748877772.db2.gz SRGIVWOEMYKALZ-INIZCTEOSA-N 1 1 328.416 0.960 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001059624590 748878135 /nfs/dbraw/zinc/87/81/35/748878135.db2.gz SRGIVWOEMYKALZ-MRXNPFEDSA-N 1 1 328.416 0.960 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@@H+](C)Cc3cnn(C)n3)CC2)nn1 ZINC000985694460 748880731 /nfs/dbraw/zinc/88/07/31/748880731.db2.gz GATDXRFYFSGFFT-UHFFFAOYSA-N 1 1 344.423 0.329 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3cnn(C)n3)CC2)nn1 ZINC000985694460 748880734 /nfs/dbraw/zinc/88/07/34/748880734.db2.gz GATDXRFYFSGFFT-UHFFFAOYSA-N 1 1 344.423 0.329 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3cnn(C)c3)CC2)nn1 ZINC000985697038 748888091 /nfs/dbraw/zinc/88/80/91/748888091.db2.gz ZLHZKGFUTKHETK-UHFFFAOYSA-N 1 1 343.435 0.934 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001003914050 749040427 /nfs/dbraw/zinc/04/04/27/749040427.db2.gz DPUNJJIWJOOAPQ-UHFFFAOYSA-N 1 1 328.800 0.261 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(=O)c(OC)c[nH]3)C[C@@H]2C1 ZINC000980138797 749049297 /nfs/dbraw/zinc/04/92/97/749049297.db2.gz FFNSCYBRCBPKMS-MJBXVCDLSA-N 1 1 329.400 0.847 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCCNC3=O)C[C@H]2C1 ZINC000980141138 749053060 /nfs/dbraw/zinc/05/30/60/749053060.db2.gz MFRNMGVDJYKGNW-HRCADAONSA-N 1 1 332.448 0.642 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H](n3cc(CNCC#N)nn3)C2)C1 ZINC001098733071 749082046 /nfs/dbraw/zinc/08/20/46/749082046.db2.gz FCEHBOPAQJDCTG-OAHLLOKOSA-N 1 1 345.451 0.397 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4nnnc4c3)C[C@H]2C1 ZINC000980166074 749100327 /nfs/dbraw/zinc/10/03/27/749100327.db2.gz DONDKZXGRLZXTD-HRCADAONSA-N 1 1 338.415 0.978 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)cn3)C[C@@H]2C1 ZINC000980167780 749102378 /nfs/dbraw/zinc/10/23/78/749102378.db2.gz QQWIEKKGHSXNNF-ZNMIVQPWSA-N 1 1 328.416 0.634 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccnc4c3nnn4C)C[C@H]2C1 ZINC000980177663 749111024 /nfs/dbraw/zinc/11/10/24/749111024.db2.gz YOZHHWPWLABYGX-IHRRRGAJSA-N 1 1 338.415 0.827 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC000980181560 749117316 /nfs/dbraw/zinc/11/73/16/749117316.db2.gz DVEPGERCGRPRSQ-AEGPPILISA-N 1 1 333.432 0.832 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)[C@@H](C)C(N)=O)CC2)CC1 ZINC000985803743 749138170 /nfs/dbraw/zinc/13/81/70/749138170.db2.gz JAKMEOKEXKXVQH-AWEZNQCLSA-N 1 1 334.464 0.128 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1cncc(C#N)n1 ZINC001126254357 749142016 /nfs/dbraw/zinc/14/20/16/749142016.db2.gz GHINMCQGDBQJFZ-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001059654615 749152612 /nfs/dbraw/zinc/15/26/12/749152612.db2.gz MMPWCJYKPAKWNE-VNHYZAJKSA-N 1 1 344.419 0.437 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001059654615 749152618 /nfs/dbraw/zinc/15/26/18/749152618.db2.gz MMPWCJYKPAKWNE-VNHYZAJKSA-N 1 1 344.419 0.437 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001027890018 749152881 /nfs/dbraw/zinc/15/28/81/749152881.db2.gz MLYJVGCZRJLXIV-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001027890018 749152885 /nfs/dbraw/zinc/15/28/85/749152885.db2.gz MLYJVGCZRJLXIV-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980205636 749181208 /nfs/dbraw/zinc/18/12/08/749181208.db2.gz CBQRDQFANZHLLW-ARFHVFGLSA-N 1 1 343.427 0.916 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)C(F)F)CC2)CC1 ZINC000985826110 749184827 /nfs/dbraw/zinc/18/48/27/749184827.db2.gz VSUCKLSYMHPGGL-UHFFFAOYSA-N 1 1 330.379 0.709 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C[C@H]3C[C@H]3C)CC2)CC1 ZINC000985826827 749186259 /nfs/dbraw/zinc/18/62/59/749186259.db2.gz GIHOYLXYEGDNBQ-IAGOWNOFSA-N 1 1 346.475 0.938 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001059657499 749188996 /nfs/dbraw/zinc/18/89/96/749188996.db2.gz XXWGWQOXMXUJOM-KPWCQOOUSA-N 1 1 328.420 0.702 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)ccc3=O)C[C@H]2C1 ZINC000980214842 749208705 /nfs/dbraw/zinc/20/87/05/749208705.db2.gz NQVDJYIUNBHQCV-YESZJQIVSA-N 1 1 342.443 0.792 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]3C2)C1 ZINC000985870958 749235337 /nfs/dbraw/zinc/23/53/37/749235337.db2.gz HJXCHKNFDMNDLW-IXDOHACOSA-N 1 1 345.443 0.037 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]3C2)C1 ZINC000985870958 749235341 /nfs/dbraw/zinc/23/53/41/749235341.db2.gz HJXCHKNFDMNDLW-IXDOHACOSA-N 1 1 345.443 0.037 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC000980251457 749256803 /nfs/dbraw/zinc/25/68/03/749256803.db2.gz IVBPWCZXYXWTIG-IHRRRGAJSA-N 1 1 346.431 0.892 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1 ZINC001098632149 749282685 /nfs/dbraw/zinc/28/26/85/749282685.db2.gz AELNIUUKQHHWIR-GDBMZVCRSA-N 1 1 349.435 0.380 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CCNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001059674749 749343218 /nfs/dbraw/zinc/34/32/18/749343218.db2.gz UAVGEUVJIJFOFY-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO C=CCCOCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059675869 749361070 /nfs/dbraw/zinc/36/10/70/749361070.db2.gz DLLJISZYCHMSNO-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001004312593 749394529 /nfs/dbraw/zinc/39/45/29/749394529.db2.gz CWOGXHPZNJLKTR-HNNXBMFYSA-N 1 1 342.399 0.073 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001004312593 749394533 /nfs/dbraw/zinc/39/45/33/749394533.db2.gz CWOGXHPZNJLKTR-HNNXBMFYSA-N 1 1 342.399 0.073 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@@H+]2Cc2nnn(C)n2)CC1 ZINC001004398454 749465278 /nfs/dbraw/zinc/46/52/78/749465278.db2.gz SXENJTWZMWHFGA-OCCSQVGLSA-N 1 1 331.424 0.573 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@H+]2Cc2nnn(C)n2)CC1 ZINC001004398454 749465283 /nfs/dbraw/zinc/46/52/83/749465283.db2.gz SXENJTWZMWHFGA-OCCSQVGLSA-N 1 1 331.424 0.573 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001004450118 749512757 /nfs/dbraw/zinc/51/27/57/749512757.db2.gz LKRPYWANGWQVNY-OAHLLOKOSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3ccnc3C)C2)C1=O ZINC000980410242 749515201 /nfs/dbraw/zinc/51/52/01/749515201.db2.gz ZRNYBIPNMUBLHK-HZPDHXFCSA-N 1 1 345.447 0.511 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001004460647 749528351 /nfs/dbraw/zinc/52/83/51/749528351.db2.gz UEUWULDBFMLMJI-BXUZGUMPSA-N 1 1 329.404 0.272 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C)nn1 ZINC000986171501 749628758 /nfs/dbraw/zinc/62/87/58/749628758.db2.gz ZPMAKNYNHMPSTH-SMDDNHRTSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nc(CC)no1 ZINC001027939918 749636659 /nfs/dbraw/zinc/63/66/59/749636659.db2.gz AXWWAKRLOUQSBY-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nc(CC)no1 ZINC001027939918 749636665 /nfs/dbraw/zinc/63/66/65/749636665.db2.gz AXWWAKRLOUQSBY-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004623009 749701036 /nfs/dbraw/zinc/70/10/36/749701036.db2.gz OVGHQDAWWIWFAW-LSDHHAIUSA-N 1 1 341.477 0.567 20 30 ECEDMO Cc1nc(N(C)CCN(C)C(=O)CC[NH+]2CCOCC2)ccc1C#N ZINC001105433934 750080640 /nfs/dbraw/zinc/08/06/40/750080640.db2.gz DNKXDZXGYQGERR-UHFFFAOYSA-N 1 1 345.447 0.879 20 30 ECEDMO Cn1ncc(C[N@H+](C)CC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001029958307 750083390 /nfs/dbraw/zinc/08/33/90/750083390.db2.gz WOJCZZQPNWEAHI-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1ncc(C[N@@H+](C)CC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001029958307 750083398 /nfs/dbraw/zinc/08/33/98/750083398.db2.gz WOJCZZQPNWEAHI-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1C ZINC001005048760 750181221 /nfs/dbraw/zinc/18/12/21/750181221.db2.gz QGWPLSVAUYHSLA-XJKSGUPXSA-N 1 1 328.416 0.958 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCCNc2cncc(C#N)n2)C1 ZINC001114946580 750240595 /nfs/dbraw/zinc/24/05/95/750240595.db2.gz PJMQECDOVDBVOT-ZFWWWQNUSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCCNc2cncc(C#N)n2)C1 ZINC001114946580 750240599 /nfs/dbraw/zinc/24/05/99/750240599.db2.gz PJMQECDOVDBVOT-ZFWWWQNUSA-N 1 1 346.435 0.766 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)c1 ZINC001027994438 750253352 /nfs/dbraw/zinc/25/33/52/750253352.db2.gz NIWHEUPYPCBXJU-INIZCTEOSA-N 1 1 331.416 0.712 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001027994295 750253645 /nfs/dbraw/zinc/25/36/45/750253645.db2.gz MGBNQQHIIPWBIN-NSHDSACASA-N 1 1 325.390 0.145 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[N@H+](CCN3C(=O)CCC3=O)CC2)[nH]1 ZINC000980980260 750426339 /nfs/dbraw/zinc/42/63/39/750426339.db2.gz YHSDIGVHQBPCHX-UHFFFAOYSA-N 1 1 343.387 0.183 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[N@@H+](CCN3C(=O)CCC3=O)CC2)[nH]1 ZINC000980980260 750426343 /nfs/dbraw/zinc/42/63/43/750426343.db2.gz YHSDIGVHQBPCHX-UHFFFAOYSA-N 1 1 343.387 0.183 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001028061737 750443009 /nfs/dbraw/zinc/44/30/09/750443009.db2.gz ZCYGRKFJQLVCHI-GFCCVEGCSA-N 1 1 330.396 0.464 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)ccc1F ZINC001028071359 750483091 /nfs/dbraw/zinc/48/30/91/750483091.db2.gz BMHQQABKPPXVBF-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)ccc1F ZINC001028071359 750483092 /nfs/dbraw/zinc/48/30/92/750483092.db2.gz BMHQQABKPPXVBF-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)c1 ZINC001028071293 750483117 /nfs/dbraw/zinc/48/31/17/750483117.db2.gz AXBXFXJBFRQNSO-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)c1 ZINC001028071293 750483119 /nfs/dbraw/zinc/48/31/19/750483119.db2.gz AXBXFXJBFRQNSO-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)c1 ZINC001028073057 750488249 /nfs/dbraw/zinc/48/82/49/750488249.db2.gz QTASYRTWKYLNGR-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)NC1=O ZINC001028076870 750537673 /nfs/dbraw/zinc/53/76/73/750537673.db2.gz ZEBPRIFLSDTAFW-HZPDHXFCSA-N 1 1 341.415 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cn[nH]c2)C1 ZINC001005747727 750587342 /nfs/dbraw/zinc/58/73/42/750587342.db2.gz WDHUPWHBHWIUNT-DOMZBBRYSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cn[nH]c2)C1 ZINC001005747727 750587346 /nfs/dbraw/zinc/58/73/46/750587346.db2.gz WDHUPWHBHWIUNT-DOMZBBRYSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cc(C)n(C)n2)CC1 ZINC000981361536 750625193 /nfs/dbraw/zinc/62/51/93/750625193.db2.gz RLYCCNQBNXNWLP-SFHVURJKSA-N 1 1 343.475 0.860 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cc(C)n(C)n2)CC1 ZINC000981361536 750625197 /nfs/dbraw/zinc/62/51/97/750625197.db2.gz RLYCCNQBNXNWLP-SFHVURJKSA-N 1 1 343.475 0.860 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3nnn(C)n3)C2)cn1 ZINC000981467122 750710680 /nfs/dbraw/zinc/71/06/80/750710680.db2.gz GNUKNYISBONPQZ-GJZGRUSLSA-N 1 1 339.403 0.417 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000981459243 750716274 /nfs/dbraw/zinc/71/62/74/750716274.db2.gz PQCWYMMICDDBHX-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001005860851 750739708 /nfs/dbraw/zinc/73/97/08/750739708.db2.gz CVYTUZDPOUYYQU-OLZOCXBDSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001005860869 750739716 /nfs/dbraw/zinc/73/97/16/750739716.db2.gz CVYTUZDPOUYYQU-STQMWFEESA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001005928388 750811927 /nfs/dbraw/zinc/81/19/27/750811927.db2.gz ZAYKFXXYTLKZBC-OLZOCXBDSA-N 1 1 343.431 0.805 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001005936296 750817725 /nfs/dbraw/zinc/81/77/25/750817725.db2.gz ASCGMOXWUGWXEU-GFCCVEGCSA-N 1 1 340.387 0.668 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)[C@@H]1CNC(=O)N1 ZINC001028109032 750893166 /nfs/dbraw/zinc/89/31/66/750893166.db2.gz CGBQQXKFTBGWQH-HOTGVXAUSA-N 1 1 344.390 0.439 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)[C@@H]1CNC(=O)N1 ZINC001028109032 750893172 /nfs/dbraw/zinc/89/31/72/750893172.db2.gz CGBQQXKFTBGWQH-HOTGVXAUSA-N 1 1 344.390 0.439 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC000981667239 750946298 /nfs/dbraw/zinc/94/62/98/750946298.db2.gz OLTVPXUTPIGPLE-MSOLQXFVSA-N 1 1 349.475 0.424 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC000981679302 750963580 /nfs/dbraw/zinc/96/35/80/750963580.db2.gz MRGOCAMXRGKYSI-UHFFFAOYSA-N 1 1 326.400 0.858 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC000981679302 750963584 /nfs/dbraw/zinc/96/35/84/750963584.db2.gz MRGOCAMXRGKYSI-UHFFFAOYSA-N 1 1 326.400 0.858 20 30 ECEDMO C=CCC[N@H+]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000981682342 750966891 /nfs/dbraw/zinc/96/68/91/750966891.db2.gz LUCXRYQQBAZUGT-UHFFFAOYSA-N 1 1 327.392 0.781 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)C1=O ZINC000981722502 751003558 /nfs/dbraw/zinc/00/35/58/751003558.db2.gz WVTBVCHIETYJHT-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC[NH+]([C@H](C)C(=O)NC)CC2)nn1 ZINC001006101066 751016327 /nfs/dbraw/zinc/01/63/27/751016327.db2.gz CHGLGXHRYFERBY-GFCCVEGCSA-N 1 1 334.424 0.135 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001006126103 751046386 /nfs/dbraw/zinc/04/63/86/751046386.db2.gz MUKIGZKHJFIFBD-ZFWWWQNUSA-N 1 1 340.427 0.591 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[N@H+](CCN2CCCS2(=O)=O)CC1 ZINC000981753917 751056378 /nfs/dbraw/zinc/05/63/78/751056378.db2.gz OQSBHWBTIHTPIR-UHFFFAOYSA-N 1 1 343.493 0.768 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[N@@H+](CCN2CCCS2(=O)=O)CC1 ZINC000981753917 751056382 /nfs/dbraw/zinc/05/63/82/751056382.db2.gz OQSBHWBTIHTPIR-UHFFFAOYSA-N 1 1 343.493 0.768 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CN3CCCS3(=O)=O)C2)C1 ZINC000981803168 751120368 /nfs/dbraw/zinc/12/03/68/751120368.db2.gz SXDZHLJTWVOOBI-UHFFFAOYSA-N 1 1 341.477 0.522 20 30 ECEDMO C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC001098514231 751163019 /nfs/dbraw/zinc/16/30/19/751163019.db2.gz LPTWCYKKBJDBIR-UHFFFAOYSA-N 1 1 343.855 0.550 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001028140130 751191790 /nfs/dbraw/zinc/19/17/90/751191790.db2.gz JDZMOPKLZAGMTI-ZACQAIPSSA-N 1 1 325.412 0.740 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001028140130 751191792 /nfs/dbraw/zinc/19/17/92/751191792.db2.gz JDZMOPKLZAGMTI-ZACQAIPSSA-N 1 1 325.412 0.740 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1 ZINC001028140737 751196480 /nfs/dbraw/zinc/19/64/80/751196480.db2.gz WPNFMTFHUNYTLC-ZNMIVQPWSA-N 1 1 344.390 0.899 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1 ZINC001028140737 751196483 /nfs/dbraw/zinc/19/64/83/751196483.db2.gz WPNFMTFHUNYTLC-ZNMIVQPWSA-N 1 1 344.390 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000987788453 751202662 /nfs/dbraw/zinc/20/26/62/751202662.db2.gz DOQUWQKQEXWWJE-HOCLYGCPSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000987788453 751202671 /nfs/dbraw/zinc/20/26/71/751202671.db2.gz DOQUWQKQEXWWJE-HOCLYGCPSA-N 1 1 343.431 0.428 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC000981857746 751203593 /nfs/dbraw/zinc/20/35/93/751203593.db2.gz CNRCYYTXWNFNDL-UHFFFAOYSA-N 1 1 326.462 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC000981857746 751203596 /nfs/dbraw/zinc/20/35/96/751203596.db2.gz CNRCYYTXWNFNDL-UHFFFAOYSA-N 1 1 326.462 0.922 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000987822529 751225607 /nfs/dbraw/zinc/22/56/07/751225607.db2.gz FPKYOGIMCOYPKL-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006353730 751281952 /nfs/dbraw/zinc/28/19/52/751281952.db2.gz CRYRMZOHTJUTON-GFCCVEGCSA-N 1 1 344.415 0.726 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000988610318 752370441 /nfs/dbraw/zinc/37/04/41/752370441.db2.gz FYWOPIONGSSELJ-RISCZKNCSA-N 1 1 327.392 0.891 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)nc1 ZINC001020947487 752374083 /nfs/dbraw/zinc/37/40/83/752374083.db2.gz ZKXSLVBQQQBKML-DRZSPHRISA-N 1 1 325.376 0.198 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1C ZINC000988614646 752383034 /nfs/dbraw/zinc/38/30/34/752383034.db2.gz VACFLNLYIVJXTJ-BXUZGUMPSA-N 1 1 341.419 0.970 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1cc(C)ncc1C#N ZINC001126355289 752383250 /nfs/dbraw/zinc/38/32/50/752383250.db2.gz JAXBXOXCHKXSAH-HNNXBMFYSA-N 1 1 345.447 0.782 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1OC ZINC001212032121 752430518 /nfs/dbraw/zinc/43/05/18/752430518.db2.gz KTYIZQDMLOIVKS-IXDOHACOSA-N 1 1 340.464 0.946 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001059910873 752446081 /nfs/dbraw/zinc/44/60/81/752446081.db2.gz ABZJWGWJIXGKGH-PBHICJAKSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001059910873 752446086 /nfs/dbraw/zinc/44/60/86/752446086.db2.gz ABZJWGWJIXGKGH-PBHICJAKSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001059911022 752452693 /nfs/dbraw/zinc/45/26/93/752452693.db2.gz CGNKUTURDMRQSJ-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001059911022 752452699 /nfs/dbraw/zinc/45/26/99/752452699.db2.gz CGNKUTURDMRQSJ-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC(=O)N3C)C2)nn1 ZINC001105368255 752468096 /nfs/dbraw/zinc/46/80/96/752468096.db2.gz SFJUSJPYNWYTGY-OAHLLOKOSA-N 1 1 346.435 0.338 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001007519144 752476070 /nfs/dbraw/zinc/47/60/70/752476070.db2.gz JFFJTVPHPPIHOV-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001007544520 752503546 /nfs/dbraw/zinc/50/35/46/752503546.db2.gz UAUPXAICXBLZAH-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001007544520 752503547 /nfs/dbraw/zinc/50/35/47/752503547.db2.gz UAUPXAICXBLZAH-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cnc(C)cn3)C2)C1=O ZINC001028382065 752509991 /nfs/dbraw/zinc/50/99/91/752509991.db2.gz DHTGPFNQDAACIK-HOCLYGCPSA-N 1 1 343.431 0.624 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC000937839101 752570957 /nfs/dbraw/zinc/57/09/57/752570957.db2.gz OJQWWFJTGKLQAG-ULQDDVLXSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC000937839101 752570964 /nfs/dbraw/zinc/57/09/64/752570964.db2.gz OJQWWFJTGKLQAG-ULQDDVLXSA-N 1 1 342.443 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cncnc3C)C2)C1=O ZINC001028423874 752610566 /nfs/dbraw/zinc/61/05/66/752610566.db2.gz SEOYBJHYFXQUBO-ZBFHGGJFSA-N 1 1 343.431 0.624 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001028432199 752625157 /nfs/dbraw/zinc/62/51/57/752625157.db2.gz YVQWXJOUGWDTJP-HOCLYGCPSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2C)[C@@H]1C ZINC000988735274 752638476 /nfs/dbraw/zinc/63/84/76/752638476.db2.gz YOUXJYJYBWVLAL-KBMXLJTQSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2C)[C@@H]1C ZINC000988735274 752638481 /nfs/dbraw/zinc/63/84/81/752638481.db2.gz YOUXJYJYBWVLAL-KBMXLJTQSA-N 1 1 343.431 0.535 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028448584 752685140 /nfs/dbraw/zinc/68/51/40/752685140.db2.gz JZONNDYBDYAGHL-GHMZBOCLSA-N 1 1 330.226 0.612 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028448584 752685143 /nfs/dbraw/zinc/68/51/43/752685143.db2.gz JZONNDYBDYAGHL-GHMZBOCLSA-N 1 1 330.226 0.612 20 30 ECEDMO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n1 ZINC001083454762 752818286 /nfs/dbraw/zinc/81/82/86/752818286.db2.gz SEADMPJSGWOYEK-SJORKVTESA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n1 ZINC001083454762 752818290 /nfs/dbraw/zinc/81/82/90/752818290.db2.gz SEADMPJSGWOYEK-SJORKVTESA-N 1 1 339.399 0.196 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)[nH]1 ZINC001028487550 752821502 /nfs/dbraw/zinc/82/15/02/752821502.db2.gz YSLGIDBYVJNXCO-GXTWGEPZSA-N 1 1 339.403 0.717 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cc1=O ZINC001028489303 752825967 /nfs/dbraw/zinc/82/59/67/752825967.db2.gz ZSIKDDYDBPRCAJ-AWEZNQCLSA-N 1 1 339.399 0.837 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001028490327 752830296 /nfs/dbraw/zinc/83/02/96/752830296.db2.gz KEWAYJYHTJSLBX-QZTJIDSGSA-N 1 1 342.443 0.827 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2c(C)nc3ccccc32)[C@@H](O)C1 ZINC001083455875 752832789 /nfs/dbraw/zinc/83/27/89/752832789.db2.gz WTYOJAMPCKJWNW-WBVHZDCISA-N 1 1 326.400 0.529 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028491663 752835644 /nfs/dbraw/zinc/83/56/44/752835644.db2.gz GDBGMKNEZNUBNJ-CZUORRHYSA-N 1 1 343.431 0.947 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028491662 752836075 /nfs/dbraw/zinc/83/60/75/752836075.db2.gz GDBGMKNEZNUBNJ-CJNGLKHVSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028491865 752836593 /nfs/dbraw/zinc/83/65/93/752836593.db2.gz PHLNJFCEVDSTAJ-BBRMVZONSA-N 1 1 341.415 0.725 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000982551718 752875471 /nfs/dbraw/zinc/87/54/71/752875471.db2.gz DUAJIVDBXWURHC-ZBFHGGJFSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000982551718 752875476 /nfs/dbraw/zinc/87/54/76/752875476.db2.gz DUAJIVDBXWURHC-ZBFHGGJFSA-N 1 1 343.431 0.394 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nc2C)[C@@H](O)C1 ZINC001083460603 752885769 /nfs/dbraw/zinc/88/57/69/752885769.db2.gz PHIJIYQTPUAVAI-IMJJTQAJSA-N 1 1 334.420 0.504 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nc2C)[C@@H](O)C1 ZINC001083460603 752885771 /nfs/dbraw/zinc/88/57/71/752885771.db2.gz PHIJIYQTPUAVAI-IMJJTQAJSA-N 1 1 334.420 0.504 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001007757345 752902780 /nfs/dbraw/zinc/90/27/80/752902780.db2.gz ZMFRLJKUWNNVFG-GFCCVEGCSA-N 1 1 330.417 0.941 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)C#CC2CC2)C1 ZINC000988811928 752914325 /nfs/dbraw/zinc/91/43/25/752914325.db2.gz LOLMQRKVJZYZPE-ZFWWWQNUSA-N 1 1 330.436 0.966 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C(C)(C)C)CN1C(=O)C#CC1CC1 ZINC000988826076 752938857 /nfs/dbraw/zinc/93/88/57/752938857.db2.gz NFMHPSDFAHSQPE-JSGCOSHPSA-N 1 1 330.436 0.921 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c(F)c1 ZINC001028519635 753018251 /nfs/dbraw/zinc/01/82/51/753018251.db2.gz QPTSGWNJEKJBMX-DOMZBBRYSA-N 1 1 346.362 0.744 20 30 ECEDMO O=C(NC[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COC(=O)N1 ZINC001028519694 753018521 /nfs/dbraw/zinc/01/85/21/753018521.db2.gz RMEWLYUGRGQTAK-ZBFHGGJFSA-N 1 1 345.374 0.724 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000982602540 753028867 /nfs/dbraw/zinc/02/88/67/753028867.db2.gz AKSKHTLQYDSVKQ-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000982612126 753039146 /nfs/dbraw/zinc/03/91/46/753039146.db2.gz NEPQADGMWQWTMH-VNHYZAJKSA-N 1 1 343.431 0.805 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCN(C(=O)CCn3cnnn3)CC2)c1 ZINC000982659593 753235956 /nfs/dbraw/zinc/23/59/56/753235956.db2.gz LMUOFNJNEZNPIX-UHFFFAOYSA-N 1 1 339.403 0.669 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)CCn3cnnn3)CC2)c1 ZINC000982659593 753235959 /nfs/dbraw/zinc/23/59/59/753235959.db2.gz LMUOFNJNEZNPIX-UHFFFAOYSA-N 1 1 339.403 0.669 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC001008055025 753246069 /nfs/dbraw/zinc/24/60/69/753246069.db2.gz RFNXATCPNSQBMB-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001028578379 753312504 /nfs/dbraw/zinc/31/25/04/753312504.db2.gz NLUZOINQUIYPMO-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nccn2C(F)F)C1 ZINC001051494284 762205233 /nfs/dbraw/zinc/20/52/33/762205233.db2.gz HCAHYTQRLJFNFM-WDEREUQCSA-N 1 1 327.335 0.755 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001087462102 753377561 /nfs/dbraw/zinc/37/75/61/753377561.db2.gz SJHYSUAACKBFAO-HZPDHXFCSA-N 1 1 344.394 0.973 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@]2(C)C1 ZINC000982728922 753428389 /nfs/dbraw/zinc/42/83/89/753428389.db2.gz RWKZABQWWMYZAS-HDICACEKSA-N 1 1 339.399 0.852 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)[C@@H]1C ZINC001088632068 753436525 /nfs/dbraw/zinc/43/65/25/753436525.db2.gz VOFVDTMRQRAHOX-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(N(C)C)nn3)C[C@@]2(C)C1 ZINC000982742103 753473117 /nfs/dbraw/zinc/47/31/17/753473117.db2.gz YTPAJQXDVOKXCH-HDICACEKSA-N 1 1 327.432 0.960 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3nc4nccc(C)n4n3)C[C@@]2(C)C1 ZINC000982772289 753518350 /nfs/dbraw/zinc/51/83/50/753518350.db2.gz HFUDKFVKKWDQIQ-HDICACEKSA-N 1 1 338.415 0.850 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059039760 753534062 /nfs/dbraw/zinc/53/40/62/753534062.db2.gz WNJXUWSWDYHAAO-DZGCQCFKSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059039760 753534071 /nfs/dbraw/zinc/53/40/71/753534071.db2.gz WNJXUWSWDYHAAO-DZGCQCFKSA-N 1 1 344.419 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@H](O)C(C)C)CC1(C)C ZINC001008276754 753539195 /nfs/dbraw/zinc/53/91/95/753539195.db2.gz LOKBEPWCDYTEHU-HRCADAONSA-N 1 1 349.475 0.454 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@H](O)C(C)C)CC1(C)C ZINC001008276754 753539201 /nfs/dbraw/zinc/53/92/01/753539201.db2.gz LOKBEPWCDYTEHU-HRCADAONSA-N 1 1 349.475 0.454 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982792921 753599905 /nfs/dbraw/zinc/59/99/05/753599905.db2.gz NIBBPILLXVDSEQ-HDICACEKSA-N 1 1 333.432 0.882 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]cc3C)C2)nn1 ZINC001105372522 753671473 /nfs/dbraw/zinc/67/14/73/753671473.db2.gz LBEXTFXMDDLXHD-UHFFFAOYSA-N 1 1 344.419 0.904 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3c(C)noc3C)C2)nn1 ZINC001105372331 753674128 /nfs/dbraw/zinc/67/41/28/753674128.db2.gz AESXHONLPPJPEJ-UHFFFAOYSA-N 1 1 330.392 0.785 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001098682751 753684419 /nfs/dbraw/zinc/68/44/19/753684419.db2.gz GEGPALOTYRUTGX-KRWDZBQOSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001098682751 753684424 /nfs/dbraw/zinc/68/44/24/753684424.db2.gz GEGPALOTYRUTGX-KRWDZBQOSA-N 1 1 344.463 0.649 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)cc1 ZINC001083369513 753700763 /nfs/dbraw/zinc/70/07/63/753700763.db2.gz APPQQIAACYOZPP-ZBFHGGJFSA-N 1 1 342.355 0.552 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)cc1 ZINC001083369513 753700768 /nfs/dbraw/zinc/70/07/68/753700768.db2.gz APPQQIAACYOZPP-ZBFHGGJFSA-N 1 1 342.355 0.552 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001083368594 753705067 /nfs/dbraw/zinc/70/50/67/753705067.db2.gz RBDNAQHIJOQHMU-ZACQAIPSSA-N 1 1 346.406 0.453 20 30 ECEDMO CCn1cc(CC[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cn1 ZINC001083392431 753793720 /nfs/dbraw/zinc/79/37/20/753793720.db2.gz HQWYSRBIZMYPOC-CVEARBPZSA-N 1 1 342.403 0.120 20 30 ECEDMO CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cn1 ZINC001083392431 753793727 /nfs/dbraw/zinc/79/37/27/753793727.db2.gz HQWYSRBIZMYPOC-CVEARBPZSA-N 1 1 342.403 0.120 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)c1 ZINC001083392696 753794728 /nfs/dbraw/zinc/79/47/28/753794728.db2.gz UPILEEORKOMXDU-ZACQAIPSSA-N 1 1 346.431 0.602 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC)N3CCCC3=O)C2)nn1 ZINC001105375708 753820788 /nfs/dbraw/zinc/82/07/88/753820788.db2.gz LVWUXYPQVKMPRH-HNNXBMFYSA-N 1 1 346.435 0.338 20 30 ECEDMO CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583147 753864706 /nfs/dbraw/zinc/86/47/06/753864706.db2.gz KXVUQRIPKHPFCD-KGLIPLIRSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001028600852 753875800 /nfs/dbraw/zinc/87/58/00/753875800.db2.gz FMLDJFHJCYDFAP-WMZOPIPTSA-N 1 1 343.475 0.764 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001028600852 753875806 /nfs/dbraw/zinc/87/58/06/753875806.db2.gz FMLDJFHJCYDFAP-WMZOPIPTSA-N 1 1 343.475 0.764 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001028601640 753883028 /nfs/dbraw/zinc/88/30/28/753883028.db2.gz RURAMFOEJLVUTP-WMZOPIPTSA-N 1 1 343.475 0.498 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cnns2)C1 ZINC001028603618 753895363 /nfs/dbraw/zinc/89/53/63/753895363.db2.gz FKRDRJHRBWLXTB-ZFWWWQNUSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cnns2)C1 ZINC001028603618 753895375 /nfs/dbraw/zinc/89/53/75/753895375.db2.gz FKRDRJHRBWLXTB-ZFWWWQNUSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001028603517 753899573 /nfs/dbraw/zinc/89/95/73/753899573.db2.gz BWJXRBFTDKXOMH-CVEARBPZSA-N 1 1 327.432 0.907 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001075942963 753964077 /nfs/dbraw/zinc/96/40/77/753964077.db2.gz WXNATAXWPKFFIQ-BBRMVZONSA-N 1 1 328.416 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1nccc(OC)n1 ZINC001105599343 753970925 /nfs/dbraw/zinc/97/09/25/753970925.db2.gz VGOAEPKNQFSPMZ-AWEZNQCLSA-N 1 1 331.420 0.477 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1nccc(OC)n1 ZINC001105599343 753970931 /nfs/dbraw/zinc/97/09/31/753970931.db2.gz VGOAEPKNQFSPMZ-AWEZNQCLSA-N 1 1 331.420 0.477 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001028630299 753994502 /nfs/dbraw/zinc/99/45/02/753994502.db2.gz ISAYSHDBQJVEFN-CYBMUJFWSA-N 1 1 326.462 0.825 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C(N)=O)ccn3)C[C@@]2(C)C1 ZINC000982865906 754032927 /nfs/dbraw/zinc/03/29/27/754032927.db2.gz BBGGXTDYUOARIT-KDURUIRLSA-N 1 1 340.427 0.988 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)cn1 ZINC000989510662 754060917 /nfs/dbraw/zinc/06/09/17/754060917.db2.gz AIUDCNNJVPKUSX-UHFFFAOYSA-N 1 1 341.415 0.236 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)cn1 ZINC000989510662 754060921 /nfs/dbraw/zinc/06/09/21/754060921.db2.gz AIUDCNNJVPKUSX-UHFFFAOYSA-N 1 1 341.415 0.236 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001008740022 754062414 /nfs/dbraw/zinc/06/24/14/754062414.db2.gz WPAXVWUFWYDZHC-ZDUSSCGKSA-N 1 1 330.392 0.048 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3ncnn3CC)C[C@@H]2C)nn1 ZINC000989535645 754079336 /nfs/dbraw/zinc/07/93/36/754079336.db2.gz CWHGTARRMYJBTE-STQMWFEESA-N 1 1 344.423 0.468 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CO[C@H](C[NH2+]Cc3ncnn3C)C2)CC1 ZINC000982888489 754098568 /nfs/dbraw/zinc/09/85/68/754098568.db2.gz CWZKUPLXXIBQHB-KBPBESRZSA-N 1 1 346.435 0.462 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557806 754113971 /nfs/dbraw/zinc/11/39/71/754113971.db2.gz SRKBOMKHUXJFAH-HNNXBMFYSA-N 1 1 327.450 0.016 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001008825958 754164882 /nfs/dbraw/zinc/16/48/82/754164882.db2.gz RPDSRJUULULCOQ-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001008825958 754164886 /nfs/dbraw/zinc/16/48/86/754164886.db2.gz RPDSRJUULULCOQ-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001008847106 754197434 /nfs/dbraw/zinc/19/74/34/754197434.db2.gz RCOGFDWZKONKTK-JZLYGMAVSA-N 1 1 334.420 0.521 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001008847607 754198127 /nfs/dbraw/zinc/19/81/27/754198127.db2.gz UQMMWXGUHXRWCH-IXDOHACOSA-N 1 1 330.432 0.892 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001008847607 754198128 /nfs/dbraw/zinc/19/81/28/754198128.db2.gz UQMMWXGUHXRWCH-IXDOHACOSA-N 1 1 330.432 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cnns2)C1 ZINC000982920615 754198814 /nfs/dbraw/zinc/19/88/14/754198814.db2.gz DSBCSSADTDSBRT-OLZOCXBDSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cnns2)C1 ZINC000982920615 754198820 /nfs/dbraw/zinc/19/88/20/754198820.db2.gz DSBCSSADTDSBRT-OLZOCXBDSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001008871275 754238393 /nfs/dbraw/zinc/23/83/93/754238393.db2.gz RTLFLWIQBLLIQD-ZDUSSCGKSA-N 1 1 327.388 0.549 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)C1 ZINC001008902101 754282958 /nfs/dbraw/zinc/28/29/58/754282958.db2.gz BBSFMGURMLHAMI-LVQVYYBASA-N 1 1 347.459 0.494 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)C1 ZINC001008902101 754282961 /nfs/dbraw/zinc/28/29/61/754282961.db2.gz BBSFMGURMLHAMI-LVQVYYBASA-N 1 1 347.459 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3CC)[C@H]2C)C1=O ZINC001088694147 754344274 /nfs/dbraw/zinc/34/42/74/754344274.db2.gz WMBKQHPNSDQGBO-UHOFOFEASA-N 1 1 345.447 0.952 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3CC)[C@H]2C)C1=O ZINC001088694147 754344280 /nfs/dbraw/zinc/34/42/80/754344280.db2.gz WMBKQHPNSDQGBO-UHOFOFEASA-N 1 1 345.447 0.952 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[N@H+](C[C@@H]3CCOC3)CC2)CC1 ZINC000989734715 754365414 /nfs/dbraw/zinc/36/54/14/754365414.db2.gz AASLLBWBOWDAOG-KRWDZBQOSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[N@@H+](C[C@@H]3CCOC3)CC2)CC1 ZINC000989734715 754365421 /nfs/dbraw/zinc/36/54/21/754365421.db2.gz AASLLBWBOWDAOG-KRWDZBQOSA-N 1 1 333.476 0.902 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000982992997 754376519 /nfs/dbraw/zinc/37/65/19/754376519.db2.gz IKDBDZUMTRALOU-OAGGEKHMSA-N 1 1 346.431 0.747 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001059999782 754475668 /nfs/dbraw/zinc/47/56/68/754475668.db2.gz JDXLPOWAPSQKHB-GJZGRUSLSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001059999782 754475672 /nfs/dbraw/zinc/47/56/72/754475672.db2.gz JDXLPOWAPSQKHB-GJZGRUSLSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]CCn3cccn3)C[C@H]2C)CC1 ZINC000989828773 754498280 /nfs/dbraw/zinc/49/82/80/754498280.db2.gz IPAWCURUHCIMRD-SJLPKXTDSA-N 1 1 343.475 0.807 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3ncccc3C#N)C2)C1 ZINC001060007460 754701665 /nfs/dbraw/zinc/70/16/65/754701665.db2.gz NAQSXWAGVASVPP-GOEBONIOSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3ncccc3C#N)C2)C1 ZINC001060007460 754701671 /nfs/dbraw/zinc/70/16/71/754701671.db2.gz NAQSXWAGVASVPP-GOEBONIOSA-N 1 1 343.431 0.934 20 30 ECEDMO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1)c1ncccn1 ZINC001051556509 762332889 /nfs/dbraw/zinc/33/28/89/762332889.db2.gz WFHYDFRTKQRKPK-JSGCOSHPSA-N 1 1 340.387 0.868 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000983149294 754720652 /nfs/dbraw/zinc/72/06/52/754720652.db2.gz AMBQHHPTXJSELZ-HOCLYGCPSA-N 1 1 344.415 0.279 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000983149294 754720655 /nfs/dbraw/zinc/72/06/55/754720655.db2.gz AMBQHHPTXJSELZ-HOCLYGCPSA-N 1 1 344.415 0.279 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001009278322 754737238 /nfs/dbraw/zinc/73/72/38/754737238.db2.gz UPPPIBHUUNSWDJ-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001009278322 754737243 /nfs/dbraw/zinc/73/72/43/754737243.db2.gz UPPPIBHUUNSWDJ-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001028707439 754768719 /nfs/dbraw/zinc/76/87/19/754768719.db2.gz PUMKJMKWJHNXQV-AAEUAGOBSA-N 1 1 337.811 0.556 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001028707439 754768722 /nfs/dbraw/zinc/76/87/22/754768722.db2.gz PUMKJMKWJHNXQV-AAEUAGOBSA-N 1 1 337.811 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2nccs2)C1 ZINC000983174036 754777177 /nfs/dbraw/zinc/77/71/77/754777177.db2.gz IUFBLQVGMZBAKP-KGLIPLIRSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2nccs2)C1 ZINC000983174036 754777182 /nfs/dbraw/zinc/77/71/82/754777182.db2.gz IUFBLQVGMZBAKP-KGLIPLIRSA-N 1 1 346.456 0.819 20 30 ECEDMO Cc1ccnc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC001051556764 762334619 /nfs/dbraw/zinc/33/46/19/762334619.db2.gz ZBJRRMJQRLXQDR-AWEZNQCLSA-N 1 1 340.387 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001009409003 754854568 /nfs/dbraw/zinc/85/45/68/754854568.db2.gz JIYYHKLDYACZGS-HUUCEWRRSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001009409003 754854572 /nfs/dbraw/zinc/85/45/72/754854572.db2.gz JIYYHKLDYACZGS-HUUCEWRRSA-N 1 1 344.415 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2conc2C)C1 ZINC000983208751 754866974 /nfs/dbraw/zinc/86/69/74/754866974.db2.gz GJZSSHIVRCXENT-HOCLYGCPSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2conc2C)C1 ZINC000983208751 754866976 /nfs/dbraw/zinc/86/69/76/754866976.db2.gz GJZSSHIVRCXENT-HOCLYGCPSA-N 1 1 344.415 0.659 20 30 ECEDMO COc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)on1 ZINC001051562768 762344526 /nfs/dbraw/zinc/34/45/26/762344526.db2.gz KIELIQHGLDKOGB-CQSZACIVSA-N 1 1 345.359 0.514 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CC)n[nH]2)C1 ZINC000990280952 754913287 /nfs/dbraw/zinc/91/32/87/754913287.db2.gz RTYVTYKKQWDEIZ-HNNXBMFYSA-N 1 1 329.404 0.010 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CC)n[nH]2)C1 ZINC000990280952 754913290 /nfs/dbraw/zinc/91/32/90/754913290.db2.gz RTYVTYKKQWDEIZ-HNNXBMFYSA-N 1 1 329.404 0.010 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)cc1 ZINC001028735043 754920650 /nfs/dbraw/zinc/92/06/50/754920650.db2.gz FYUYGGGXQFGDGD-JKSUJKDBSA-N 1 1 326.400 0.632 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990286110 754922011 /nfs/dbraw/zinc/92/20/11/754922011.db2.gz AXWJODAZMXAXCX-DOTOQJQBSA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990286110 754922012 /nfs/dbraw/zinc/92/20/12/754922012.db2.gz AXWJODAZMXAXCX-DOTOQJQBSA-N 1 1 339.403 0.942 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)s1 ZINC001028735889 754923597 /nfs/dbraw/zinc/92/35/97/754923597.db2.gz SSSORVXJPQAUDC-FZMZJTMJSA-N 1 1 332.429 0.694 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990289202 754927215 /nfs/dbraw/zinc/92/72/15/754927215.db2.gz OJBJOWRWMCUQKK-FABXCBLPSA-N 1 1 329.404 0.748 20 30 ECEDMO Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)[nH]1 ZINC001051563420 762346777 /nfs/dbraw/zinc/34/67/77/762346777.db2.gz RYNYONILRHHCAS-QMTHXVAHSA-N 1 1 343.391 0.505 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)N2CCC2)CC3)[nH]1 ZINC000990278059 754933359 /nfs/dbraw/zinc/93/33/59/754933359.db2.gz TZWGFBZDZZEOJK-YJBOKZPZSA-N 1 1 341.415 0.845 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001028740493 754939545 /nfs/dbraw/zinc/93/95/45/754939545.db2.gz RAYBNJDECMZLKR-CVEARBPZSA-N 1 1 341.415 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cc(COC)ncn2)C1 ZINC001059106271 754955121 /nfs/dbraw/zinc/95/51/21/754955121.db2.gz HQRLGLSBTAPCDT-HOCLYGCPSA-N 1 1 343.431 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cc(COC)ncn2)C1 ZINC001059106271 754955125 /nfs/dbraw/zinc/95/51/25/754955125.db2.gz HQRLGLSBTAPCDT-HOCLYGCPSA-N 1 1 343.431 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000983265884 755019927 /nfs/dbraw/zinc/01/99/27/755019927.db2.gz PISVWPGZYRMDHJ-GJZGRUSLSA-N 1 1 335.423 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000983265884 755019930 /nfs/dbraw/zinc/01/99/30/755019930.db2.gz PISVWPGZYRMDHJ-GJZGRUSLSA-N 1 1 335.423 0.798 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000983302968 755105945 /nfs/dbraw/zinc/10/59/45/755105945.db2.gz LDWIRXVZRNNSQJ-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001028792435 755139930 /nfs/dbraw/zinc/13/99/30/755139930.db2.gz HWFGRTUUSCRTGW-GDBMZVCRSA-N 1 1 326.400 0.393 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001028792663 755140581 /nfs/dbraw/zinc/14/05/81/755140581.db2.gz LDBOCTBKWYYTBO-MRXNPFEDSA-N 1 1 340.427 0.737 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1 ZINC001028804686 755178066 /nfs/dbraw/zinc/17/80/66/755178066.db2.gz DBJXKXFFAFAECN-CFVMTHIKSA-N 1 1 344.390 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3ccnc3)C2)C1=O ZINC001009716491 755291253 /nfs/dbraw/zinc/29/12/53/755291253.db2.gz LNTZFXHBBZNRQM-LSDHHAIUSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3ccnc3)C2)C1=O ZINC001009716491 755291254 /nfs/dbraw/zinc/29/12/54/755291254.db2.gz LNTZFXHBBZNRQM-LSDHHAIUSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]([C@@H](C)c3nc(C)no3)C2)nn1 ZINC001028853114 755315346 /nfs/dbraw/zinc/31/53/46/755315346.db2.gz PISHVKPZOBZPOW-AAEUAGOBSA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)c3nc(C)no3)C2)nn1 ZINC001028853114 755315348 /nfs/dbraw/zinc/31/53/48/755315348.db2.gz PISHVKPZOBZPOW-AAEUAGOBSA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001028856600 755320568 /nfs/dbraw/zinc/32/05/68/755320568.db2.gz LDACHYPPCHEHMO-ZIAGYGMSSA-N 1 1 331.420 0.557 20 30 ECEDMO COCCN(CCNC(=O)Cn1c[nH+]cc1C)c1ccncc1C#N ZINC001126441032 755326936 /nfs/dbraw/zinc/32/69/36/755326936.db2.gz VRHMRELNIYZRIU-UHFFFAOYSA-N 1 1 342.403 0.727 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001028919392 755479015 /nfs/dbraw/zinc/47/90/15/755479015.db2.gz VKKRSNYRMBOTPA-OLZOCXBDSA-N 1 1 332.404 0.572 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001075965762 755496285 /nfs/dbraw/zinc/49/62/85/755496285.db2.gz CIJHOPHFLWQAHQ-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@@H]12 ZINC000990667137 755589215 /nfs/dbraw/zinc/58/92/15/755589215.db2.gz ZEEDUYCNWWQLCW-DDUZABMNSA-N 1 1 341.415 0.509 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC001088769332 755621541 /nfs/dbraw/zinc/62/15/41/755621541.db2.gz DIXVPSSHKBWLJN-OCCSQVGLSA-N 1 1 327.392 0.826 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@@H](O)C1 ZINC001083481193 755624735 /nfs/dbraw/zinc/62/47/35/755624735.db2.gz UYOGHXGYOSXAEX-CABCVRRESA-N 1 1 330.388 0.875 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990708951 755683076 /nfs/dbraw/zinc/68/30/76/755683076.db2.gz LQKYBTAMENEILF-HNNXBMFYSA-N 1 1 329.404 0.700 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088795568 755718238 /nfs/dbraw/zinc/71/82/38/755718238.db2.gz HKGYOSGTDPHSLC-KCXAZCMYSA-N 1 1 341.415 0.661 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088795644 755718376 /nfs/dbraw/zinc/71/83/76/755718376.db2.gz JDLGAJMXWPKADL-DDTOSNHZSA-N 1 1 347.444 0.722 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088795644 755718379 /nfs/dbraw/zinc/71/83/79/755718379.db2.gz JDLGAJMXWPKADL-DDTOSNHZSA-N 1 1 347.444 0.722 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccccn2)[C@@H](O)C1 ZINC001083512160 755817057 /nfs/dbraw/zinc/81/70/57/755817057.db2.gz BSBTYMMCPUAYJE-CABCVRRESA-N 1 1 325.372 0.270 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccccn2)[C@@H](O)C1 ZINC001083512160 755817061 /nfs/dbraw/zinc/81/70/61/755817061.db2.gz BSBTYMMCPUAYJE-CABCVRRESA-N 1 1 325.372 0.270 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001010224299 755839161 /nfs/dbraw/zinc/83/91/61/755839161.db2.gz XOXUBMIEPZUHNQ-UKRRQHHQSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001010224299 755839164 /nfs/dbraw/zinc/83/91/64/755839164.db2.gz XOXUBMIEPZUHNQ-UKRRQHHQSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)n3C)[C@H]2C)C1=O ZINC001088818439 755865851 /nfs/dbraw/zinc/86/58/51/755865851.db2.gz OXWDHDGZAIJEQI-SNPRPXQTSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(C)n3C)[C@H]2C)C1=O ZINC001088818439 755865853 /nfs/dbraw/zinc/86/58/53/755865853.db2.gz OXWDHDGZAIJEQI-SNPRPXQTSA-N 1 1 345.447 0.708 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088828945 755962715 /nfs/dbraw/zinc/96/27/15/755962715.db2.gz YWUMAKUWOHYWFT-WKPIXPDZSA-N 1 1 345.378 0.458 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088828945 755962718 /nfs/dbraw/zinc/96/27/18/755962718.db2.gz YWUMAKUWOHYWFT-WKPIXPDZSA-N 1 1 345.378 0.458 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1O ZINC001083535796 755976320 /nfs/dbraw/zinc/97/63/20/755976320.db2.gz MJXKYILKSJDQBH-SQNIBIBYSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001076059471 756043563 /nfs/dbraw/zinc/04/35/63/756043563.db2.gz ANCPCPNJJQPUBQ-JJXSEGSLSA-N 1 1 333.432 0.356 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1F ZINC001010378833 756061022 /nfs/dbraw/zinc/06/10/22/756061022.db2.gz AUDRMEQXXBAOJX-UKRRQHHQSA-N 1 1 330.363 0.666 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1F ZINC001010378833 756061027 /nfs/dbraw/zinc/06/10/27/756061027.db2.gz AUDRMEQXXBAOJX-UKRRQHHQSA-N 1 1 330.363 0.666 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)s1 ZINC001010547130 756227152 /nfs/dbraw/zinc/22/71/52/756227152.db2.gz SLMWAGLKVKUUHW-VXGBXAGGSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)s1 ZINC001010547130 756227155 /nfs/dbraw/zinc/22/71/55/756227155.db2.gz SLMWAGLKVKUUHW-VXGBXAGGSA-N 1 1 332.429 0.836 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 ZINC001076238167 756259875 /nfs/dbraw/zinc/25/98/75/756259875.db2.gz UWVYBMBYWYWTDL-XUWVNRHRSA-N 1 1 333.432 0.178 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001010642711 756341342 /nfs/dbraw/zinc/34/13/42/756341342.db2.gz JQKMJOTVFWRVAC-AWEZNQCLSA-N 1 1 327.392 0.599 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](OC)C1CC1 ZINC001076337147 756378921 /nfs/dbraw/zinc/37/89/21/756378921.db2.gz RWKWGGTXIOGCEY-BPUTZDHNSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](OC)C1CC1 ZINC001076337147 756378924 /nfs/dbraw/zinc/37/89/24/756378924.db2.gz RWKWGGTXIOGCEY-BPUTZDHNSA-N 1 1 335.448 0.520 20 30 ECEDMO O=C(CN1CCOCC1)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010673210 756381294 /nfs/dbraw/zinc/38/12/94/756381294.db2.gz YCHFHNZNHNHCEB-SFHVURJKSA-N 1 1 327.428 0.561 20 30 ECEDMO O=C(CN1CCOCC1)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010673210 756381297 /nfs/dbraw/zinc/38/12/97/756381297.db2.gz YCHFHNZNHNHCEB-SFHVURJKSA-N 1 1 327.428 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cscn2)CC1 ZINC001010675666 756385261 /nfs/dbraw/zinc/38/52/61/756385261.db2.gz UZWLPYRQBMUFHR-AWEZNQCLSA-N 1 1 332.429 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cscn2)CC1 ZINC001010675666 756385266 /nfs/dbraw/zinc/38/52/66/756385266.db2.gz UZWLPYRQBMUFHR-AWEZNQCLSA-N 1 1 332.429 0.525 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001076350517 756403025 /nfs/dbraw/zinc/40/30/25/756403025.db2.gz ADPKKYLUKYNAIQ-BFHYXJOUSA-N 1 1 327.450 0.129 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001010835467 756582193 /nfs/dbraw/zinc/58/21/93/756582193.db2.gz IMNJVPBPHYMKJZ-HOTGVXAUSA-N 1 1 342.443 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001010835467 756582196 /nfs/dbraw/zinc/58/21/96/756582196.db2.gz IMNJVPBPHYMKJZ-HOTGVXAUSA-N 1 1 342.443 0.695 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001076512341 756608409 /nfs/dbraw/zinc/60/84/09/756608409.db2.gz UZKULOUKTGHEJM-XHSDSOJGSA-N 1 1 333.432 0.133 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001076512341 756608411 /nfs/dbraw/zinc/60/84/11/756608411.db2.gz UZKULOUKTGHEJM-XHSDSOJGSA-N 1 1 333.432 0.133 20 30 ECEDMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC001010868888 756618041 /nfs/dbraw/zinc/61/80/41/756618041.db2.gz JCWYFYAMVQRGFT-CQSZACIVSA-N 1 1 340.387 0.722 20 30 ECEDMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC001010868888 756618045 /nfs/dbraw/zinc/61/80/45/756618045.db2.gz JCWYFYAMVQRGFT-CQSZACIVSA-N 1 1 340.387 0.722 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnoc1CC ZINC001076557343 756653285 /nfs/dbraw/zinc/65/32/85/756653285.db2.gz WSVPLZNVOGVTDT-ZFWWWQNUSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnoc1CC ZINC001076557343 756653288 /nfs/dbraw/zinc/65/32/88/756653288.db2.gz WSVPLZNVOGVTDT-ZFWWWQNUSA-N 1 1 346.431 0.959 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2cncc(C#N)n2)C1 ZINC001060129725 756824377 /nfs/dbraw/zinc/82/43/77/756824377.db2.gz VRRIEBOFVZGNGI-CABCVRRESA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2cncc(C#N)n2)C1 ZINC001060129725 756824383 /nfs/dbraw/zinc/82/43/83/756824383.db2.gz VRRIEBOFVZGNGI-CABCVRRESA-N 1 1 344.419 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccncc2C)CC1 ZINC001011098743 756923430 /nfs/dbraw/zinc/92/34/30/756923430.db2.gz UWJKLYSMZYVLSJ-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccncc2C)CC1 ZINC001011098743 756923434 /nfs/dbraw/zinc/92/34/34/756923434.db2.gz UWJKLYSMZYVLSJ-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO O=C(C#CC1CC1)N1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001011109914 756939593 /nfs/dbraw/zinc/93/95/93/756939593.db2.gz FPIAOMZPFDMLHP-HNNXBMFYSA-N 1 1 326.400 0.845 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1 ZINC000996120702 756986442 /nfs/dbraw/zinc/98/64/42/756986442.db2.gz AIDGOTRXQVDHES-FWYOQMDTSA-N 1 1 341.415 0.700 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)C1=O ZINC001048810134 757068690 /nfs/dbraw/zinc/06/86/90/757068690.db2.gz GDULNXIKGDAMIX-BBWFWOEESA-N 1 1 327.428 0.577 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@@H]1O ZINC001048813802 757078010 /nfs/dbraw/zinc/07/80/10/757078010.db2.gz MBTVXQHANLSLNC-PMPSAXMXSA-N 1 1 335.448 0.160 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)c1 ZINC001011163844 757087511 /nfs/dbraw/zinc/08/75/11/757087511.db2.gz FMRINRGIYSOGIU-UHFFFAOYSA-N 1 1 337.383 0.552 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cn(CCOC)nc3C)C[C@H]2C1 ZINC001048817061 757089755 /nfs/dbraw/zinc/08/97/55/757089755.db2.gz IHKGZOLSSWSROS-IYBDPMFKSA-N 1 1 330.432 0.865 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001048827968 757124383 /nfs/dbraw/zinc/12/43/83/757124383.db2.gz ASDONAUJROTZFG-ULQDDVLXSA-N 1 1 347.459 0.304 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)(C)C)C2)C1 ZINC001048832708 757136926 /nfs/dbraw/zinc/13/69/26/757136926.db2.gz UDEBNSDKBOSQFQ-PMPSAXMXSA-N 1 1 349.475 0.408 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)(C)C)C2)C1 ZINC001048832707 757137226 /nfs/dbraw/zinc/13/72/26/757137226.db2.gz UDEBNSDKBOSQFQ-JYJNAYRXSA-N 1 1 349.475 0.408 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@H]3C2)c1 ZINC001048842156 757152170 /nfs/dbraw/zinc/15/21/70/757152170.db2.gz VBCCVNKEVKMTHU-CALCHBBNSA-N 1 1 336.399 0.740 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@H]2C1 ZINC001048856160 757193341 /nfs/dbraw/zinc/19/33/41/757193341.db2.gz PUJVJXBUZBGQAC-BETUJISGSA-N 1 1 339.399 0.701 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001011217167 757205823 /nfs/dbraw/zinc/20/58/23/757205823.db2.gz JIWPBKBFPYHRRU-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001011217167 757205832 /nfs/dbraw/zinc/20/58/32/757205832.db2.gz JIWPBKBFPYHRRU-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](C[C@H](CC)OC)C2)nn1 ZINC001107169562 757206670 /nfs/dbraw/zinc/20/66/70/757206670.db2.gz OAYUBXQWXHPJSG-CJNGLKHVSA-N 1 1 349.435 0.214 20 30 ECEDMO C[C@@H](O)CCC[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107170831 757210202 /nfs/dbraw/zinc/21/02/02/757210202.db2.gz FDORADYCIXODFL-CYBMUJFWSA-N 1 1 331.420 0.325 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@@H]1N(C(=O)[C@H](C)C#N)CC2 ZINC001014344140 762530435 /nfs/dbraw/zinc/53/04/35/762530435.db2.gz UDKMGJIAPLBVMU-IFIJOSMWSA-N 1 1 329.404 0.991 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)no1 ZINC001076816259 757237047 /nfs/dbraw/zinc/23/70/47/757237047.db2.gz AACHOVGNSMHVKB-IAGOWNOFSA-N 1 1 340.383 0.759 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)no1 ZINC001076816259 757237053 /nfs/dbraw/zinc/23/70/53/757237053.db2.gz AACHOVGNSMHVKB-IAGOWNOFSA-N 1 1 340.383 0.759 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]2C1 ZINC001048892826 757316529 /nfs/dbraw/zinc/31/65/29/757316529.db2.gz AAWBXOVZFLEBQU-GASCZTMLSA-N 1 1 326.400 0.137 20 30 ECEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048894047 757319691 /nfs/dbraw/zinc/31/96/91/757319691.db2.gz SYQWAKMNBPLWNF-IKGGRYGDSA-N 1 1 349.475 0.737 20 30 ECEDMO C=CCC[C@H](C)[NH+]1CC(n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001107182974 757326378 /nfs/dbraw/zinc/32/63/78/757326378.db2.gz AQQMVOMUKHHKPQ-NSHDSACASA-N 1 1 330.396 0.538 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2c2cnc(C#N)cn2)C1 ZINC001060145561 757342125 /nfs/dbraw/zinc/34/21/25/757342125.db2.gz UKKXBDLUNCDWKM-DZGCQCFKSA-N 1 1 328.420 0.775 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)c1 ZINC001076855807 757398097 /nfs/dbraw/zinc/39/80/97/757398097.db2.gz OEPSQKOKYPSYDD-IAGOWNOFSA-N 1 1 346.431 0.868 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@H]2C1 ZINC001048919226 757410470 /nfs/dbraw/zinc/41/04/70/757410470.db2.gz WAXYTHOFONKLEU-TXEJJXNPSA-N 1 1 339.417 0.507 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@H]2C1 ZINC001048920583 757415584 /nfs/dbraw/zinc/41/55/84/757415584.db2.gz CSZLHFHPCSQCDR-BETUJISGSA-N 1 1 328.372 0.602 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cncn4C)C[C@H]3C2)C1=O ZINC001048921679 757420418 /nfs/dbraw/zinc/42/04/18/757420418.db2.gz VTZLWXLNPVZRKD-QLFBSQMISA-N 1 1 343.431 0.211 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001011314273 757488205 /nfs/dbraw/zinc/48/82/05/757488205.db2.gz QYLFCLXUDGCDAJ-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001011322071 757513577 /nfs/dbraw/zinc/51/35/77/757513577.db2.gz ITRNLBJVHOKUPZ-HUUCEWRRSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001011322071 757513587 /nfs/dbraw/zinc/51/35/87/757513587.db2.gz ITRNLBJVHOKUPZ-HUUCEWRRSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@H]2C1 ZINC001048958361 757515629 /nfs/dbraw/zinc/51/56/29/757515629.db2.gz RDILQZLJQSLONX-OKILXGFUSA-N 1 1 339.403 0.637 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3ncnn3C)C(C)(C)C2)nn1 ZINC000996388160 757518030 /nfs/dbraw/zinc/51/80/30/757518030.db2.gz HZOSNNUQYCHJCF-CYBMUJFWSA-N 1 1 344.423 0.233 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@H]2C1 ZINC001048959501 757518993 /nfs/dbraw/zinc/51/89/93/757518993.db2.gz JZMKUKCZIKRVGK-OKILXGFUSA-N 1 1 341.415 0.911 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001048977138 757579310 /nfs/dbraw/zinc/57/93/10/757579310.db2.gz NFSYBLQYAJGXMC-JYJNAYRXSA-N 1 1 339.480 0.959 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048977416 757580956 /nfs/dbraw/zinc/58/09/56/757580956.db2.gz BYUWRECXCJPLFN-XHSDSOJGSA-N 1 1 332.448 0.846 20 30 ECEDMO O=C([C@H]1CCNC1=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048977426 757581300 /nfs/dbraw/zinc/58/13/00/757581300.db2.gz CLBOWPLQAHBZGM-KSZLIROESA-N 1 1 337.423 0.564 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000996445672 757622922 /nfs/dbraw/zinc/62/29/22/757622922.db2.gz ZZVJWIFLHURXON-OAHLLOKOSA-N 1 1 325.412 0.950 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001011405044 757640129 /nfs/dbraw/zinc/64/01/29/757640129.db2.gz HRDIMUORYNUZOC-PMPSAXMXSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001021592190 757654886 /nfs/dbraw/zinc/65/48/86/757654886.db2.gz PTLAYCDYCAPENE-ZIAGYGMSSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CCC1(C(=O)NCc2cn(C3C[NH+](CCCO)C3)nn2)CCC1 ZINC001107204314 757655407 /nfs/dbraw/zinc/65/54/07/757655407.db2.gz AJGUKTJUTKPBNW-UHFFFAOYSA-N 1 1 333.436 0.880 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(CC(F)(F)F)C3)C[C@H]2C1 ZINC001049006933 757673943 /nfs/dbraw/zinc/67/39/43/757673943.db2.gz NEXSEPXYIRTSPU-MCIONIFRSA-N 1 1 329.366 0.894 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn3c(n2)COCC3)C1 ZINC001021612236 757684624 /nfs/dbraw/zinc/68/46/24/757684624.db2.gz BFVUPJJEWLWQSM-GDBMZVCRSA-N 1 1 328.416 0.973 20 30 ECEDMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001049021885 757719894 /nfs/dbraw/zinc/71/98/94/757719894.db2.gz GCUAFHUPDYWVCS-OKILXGFUSA-N 1 1 331.803 0.567 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)cc1F ZINC001021662531 757755287 /nfs/dbraw/zinc/75/52/87/757755287.db2.gz WJMAWHFADGSRGI-GDBMZVCRSA-N 1 1 344.390 0.996 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C(C)(C)CNC(C)=O)nn2)C1 ZINC001107218265 757826489 /nfs/dbraw/zinc/82/64/89/757826489.db2.gz DNAYGLVCYBPLGD-UHFFFAOYSA-N 1 1 348.451 0.489 20 30 ECEDMO C=CCN1CC(n2cc(CNC(=O)CCCn3cc[nH+]c3C)nn2)C1 ZINC001107220108 757839159 /nfs/dbraw/zinc/83/91/59/757839159.db2.gz ZWXFAIZXFLIROV-UHFFFAOYSA-N 1 1 343.435 0.922 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(N)=O)CC[C@H]32)cn1 ZINC001021717926 757856039 /nfs/dbraw/zinc/85/60/39/757856039.db2.gz SQOLPWBQBGBEFV-GDBMZVCRSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)CC[C@@H]32)cn1 ZINC001021717930 757856961 /nfs/dbraw/zinc/85/69/61/757856961.db2.gz SQOLPWBQBGBEFV-HOCLYGCPSA-N 1 1 326.400 0.475 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021725346 757866994 /nfs/dbraw/zinc/86/69/94/757866994.db2.gz RRFMNNDMTHGRCR-HOTGVXAUSA-N 1 1 345.447 0.226 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001021729874 757872465 /nfs/dbraw/zinc/87/24/65/757872465.db2.gz IFXMZFCJHQZILL-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021730697 757874088 /nfs/dbraw/zinc/87/40/88/757874088.db2.gz PQZJDHNNVYAMKF-GJZGRUSLSA-N 1 1 346.431 0.217 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021733611 757878387 /nfs/dbraw/zinc/87/83/87/757878387.db2.gz PTIPTWFWSIRZNZ-DZGCQCFKSA-N 1 1 344.415 0.436 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)n2C)C1 ZINC001021739067 757887374 /nfs/dbraw/zinc/88/73/74/757887374.db2.gz GHWFHVKPARMBNB-HUUCEWRRSA-N 1 1 330.432 0.674 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001077015358 757926435 /nfs/dbraw/zinc/92/64/35/757926435.db2.gz QDLSYVIOSDXWFL-QBPKDAKJSA-N 1 1 344.459 0.891 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C3(C(=O)NC)CCC3)nn2)C1 ZINC001107232246 757950645 /nfs/dbraw/zinc/95/06/45/757950645.db2.gz YAXVDECBEGAELM-UHFFFAOYSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001077016122 757970712 /nfs/dbraw/zinc/97/07/12/757970712.db2.gz BAYXPJRFDBOFEF-VQHPVUNQSA-N 1 1 338.448 0.698 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)c1 ZINC001077030489 757994965 /nfs/dbraw/zinc/99/49/65/757994965.db2.gz MZKRSHDHWIETAV-LHHMISFZSA-N 1 1 327.384 0.256 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)c1 ZINC001077030489 757994971 /nfs/dbraw/zinc/99/49/71/757994971.db2.gz MZKRSHDHWIETAV-LHHMISFZSA-N 1 1 327.384 0.256 20 30 ECEDMO Cn1ncc(C(=O)N2C[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]3C2)n1 ZINC001049115337 758004379 /nfs/dbraw/zinc/00/43/79/758004379.db2.gz IVTQTGXZBQYBJB-CALCHBBNSA-N 1 1 335.411 0.871 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001077059843 758056855 /nfs/dbraw/zinc/05/68/55/758056855.db2.gz XDOAQRWNLHOAEZ-DGCLKSJQSA-N 1 1 328.363 0.867 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001021981085 758124507 /nfs/dbraw/zinc/12/45/07/758124507.db2.gz LIAGQWAAYWKVTQ-TXEJJXNPSA-N 1 1 328.380 0.504 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001022056615 758215562 /nfs/dbraw/zinc/21/55/62/758215562.db2.gz RISYLVAJJBDUGY-SLEUVZQESA-N 1 1 345.403 0.569 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1O ZINC001049176288 758227217 /nfs/dbraw/zinc/22/72/17/758227217.db2.gz MACVZNSCOAYHKN-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@H]2C1 ZINC001049177999 758234511 /nfs/dbraw/zinc/23/45/11/758234511.db2.gz YOQINNHSABMSHT-BETUJISGSA-N 1 1 325.368 0.760 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]3C2)s1 ZINC001049179661 758238971 /nfs/dbraw/zinc/23/89/71/758238971.db2.gz GQIHIDSYFDTBLO-ZOWXZIJZSA-N 1 1 344.440 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cccnc1 ZINC001077123945 758250679 /nfs/dbraw/zinc/25/06/79/758250679.db2.gz GUYJKGLGCZIHGP-RDJZCZTQSA-N 1 1 342.443 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cccnc1 ZINC001077123945 758250685 /nfs/dbraw/zinc/25/06/85/758250685.db2.gz GUYJKGLGCZIHGP-RDJZCZTQSA-N 1 1 342.443 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCc1ncc[nH]1 ZINC001077123915 758251326 /nfs/dbraw/zinc/25/13/26/758251326.db2.gz GBEKSCQMJYRFPC-GJZGRUSLSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCc1ncc[nH]1 ZINC001077123915 758251332 /nfs/dbraw/zinc/25/13/32/758251332.db2.gz GBEKSCQMJYRFPC-GJZGRUSLSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cccnc1 ZINC001077124005 758251588 /nfs/dbraw/zinc/25/15/88/758251588.db2.gz JGTYOEYNNAFXSG-HOCLYGCPSA-N 1 1 328.416 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cccnc1 ZINC001077124005 758251597 /nfs/dbraw/zinc/25/15/97/758251597.db2.gz JGTYOEYNNAFXSG-HOCLYGCPSA-N 1 1 328.416 0.804 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001077130488 758272575 /nfs/dbraw/zinc/27/25/75/758272575.db2.gz ARDXEXHQPFRCIQ-TZMCWYRMSA-N 1 1 331.372 0.483 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001077130488 758272582 /nfs/dbraw/zinc/27/25/82/758272582.db2.gz ARDXEXHQPFRCIQ-TZMCWYRMSA-N 1 1 331.372 0.483 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001077125491 758293273 /nfs/dbraw/zinc/29/32/73/758293273.db2.gz VVDYLUUJERKOOP-XHSDSOJGSA-N 1 1 334.464 0.047 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C[C@H]2C1 ZINC001049212363 758325456 /nfs/dbraw/zinc/32/54/56/758325456.db2.gz QTPFEZIRMHPZFZ-GASCZTMLSA-N 1 1 328.416 0.755 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@H]2C1 ZINC001049214685 758337793 /nfs/dbraw/zinc/33/77/93/758337793.db2.gz SDFZMOVOLSUKDL-BETUJISGSA-N 1 1 346.822 0.810 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001077147353 758341445 /nfs/dbraw/zinc/34/14/45/758341445.db2.gz LZGVQQURHFTRMR-BZUAXINKSA-N 1 1 329.400 0.251 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001077167014 758399697 /nfs/dbraw/zinc/39/96/97/758399697.db2.gz VMFLLAAQJNZTFZ-MUIFIZLQSA-N 1 1 346.431 0.165 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC(C)(C)O)CCC[C@@H]12 ZINC001107388434 758442041 /nfs/dbraw/zinc/44/20/41/758442041.db2.gz JBDXDJZLUDITPQ-RDTXWAMCSA-N 1 1 337.464 0.810 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3nnc(C)[nH]3)CCC[C@@H]12 ZINC001107398016 758463034 /nfs/dbraw/zinc/46/30/34/758463034.db2.gz HLRASCGFTKKJAG-CRAIPNDOSA-N 1 1 345.447 0.666 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3n[nH]c(C)n3)CCC[C@@H]12 ZINC001107398016 758463042 /nfs/dbraw/zinc/46/30/42/758463042.db2.gz HLRASCGFTKKJAG-CRAIPNDOSA-N 1 1 345.447 0.666 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3n[nH]c(C)n3)CCC[C@@H]12 ZINC001107398016 758463045 /nfs/dbraw/zinc/46/30/45/758463045.db2.gz HLRASCGFTKKJAG-CRAIPNDOSA-N 1 1 345.447 0.666 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001049282577 758470548 /nfs/dbraw/zinc/47/05/48/758470548.db2.gz BEGFGSDMKMBMOI-QAETUUGQSA-N 1 1 349.475 0.406 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(C)C)CC2 ZINC001107401913 758472026 /nfs/dbraw/zinc/47/20/26/758472026.db2.gz FYSHXQYDXZMUTD-GPMSIDNRSA-N 1 1 349.475 0.910 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC001011769957 758531749 /nfs/dbraw/zinc/53/17/49/758531749.db2.gz AZPFANHQZQAOGH-SMDDNHRTSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC001011770913 758533984 /nfs/dbraw/zinc/53/39/84/758533984.db2.gz GWPVUQBXQDIVQC-SMDDNHRTSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049355366 758559227 /nfs/dbraw/zinc/55/92/27/758559227.db2.gz BRSMLCIMMGLWFB-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O ZINC001077237419 758569904 /nfs/dbraw/zinc/56/99/04/758569904.db2.gz JHDKHGLGAYUFAN-FGTMMUONSA-N 1 1 342.443 0.704 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(N)=O ZINC001049383102 758604130 /nfs/dbraw/zinc/60/41/30/758604130.db2.gz PVMIIHLMVOBSIQ-MNOVXSKESA-N 1 1 330.226 0.836 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001077253997 758603754 /nfs/dbraw/zinc/60/37/54/758603754.db2.gz HMHAMYPBZNYXNL-DGCLKSJQSA-N 1 1 331.376 0.089 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001077254090 758604065 /nfs/dbraw/zinc/60/40/65/758604065.db2.gz LJJDWZKRBZCHGO-TZMCWYRMSA-N 1 1 345.403 0.479 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(N)=O ZINC001049383102 758604125 /nfs/dbraw/zinc/60/41/25/758604125.db2.gz PVMIIHLMVOBSIQ-MNOVXSKESA-N 1 1 330.226 0.836 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)NC1CCOCC1 ZINC001049383707 758605467 /nfs/dbraw/zinc/60/54/67/758605467.db2.gz SWJTUAQSJQEPEL-BMFZPTHFSA-N 1 1 348.447 0.507 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)NC1CCOCC1 ZINC001049383707 758605475 /nfs/dbraw/zinc/60/54/75/758605475.db2.gz SWJTUAQSJQEPEL-BMFZPTHFSA-N 1 1 348.447 0.507 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)nc1 ZINC001011804646 758627098 /nfs/dbraw/zinc/62/70/98/758627098.db2.gz JQJALRIIQOVEQJ-HOCLYGCPSA-N 1 1 340.427 0.545 20 30 ECEDMO N#Cc1ccc(F)c(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC001127779618 758627620 /nfs/dbraw/zinc/62/76/20/758627620.db2.gz OZBCAXFMNNDFOI-RDJZCZTQSA-N 1 1 346.406 0.766 20 30 ECEDMO N#Cc1ccc(F)c(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001127779618 758627624 /nfs/dbraw/zinc/62/76/24/758627624.db2.gz OZBCAXFMNNDFOI-RDJZCZTQSA-N 1 1 346.406 0.766 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001077275227 758666631 /nfs/dbraw/zinc/66/66/31/758666631.db2.gz WPRDYFPDJZXXPP-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(C#N)c1 ZINC001049425036 758668473 /nfs/dbraw/zinc/66/84/73/758668473.db2.gz KDCAWRZETJFALH-GJZGRUSLSA-N 1 1 329.404 0.653 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCn2cncn2)c[nH]1 ZINC001049431059 758682802 /nfs/dbraw/zinc/68/28/02/758682802.db2.gz LNIJDQXBUSUVEU-CVEARBPZSA-N 1 1 339.403 0.857 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCn2cncn2)c[nH]1 ZINC001049431062 758683164 /nfs/dbraw/zinc/68/31/64/758683164.db2.gz LNIJDQXBUSUVEU-JKSUJKDBSA-N 1 1 339.403 0.857 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001077288487 758697515 /nfs/dbraw/zinc/69/75/15/758697515.db2.gz XDZHHXKLPFEGRA-GDBMZVCRSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001077288487 758697521 /nfs/dbraw/zinc/69/75/21/758697521.db2.gz XDZHHXKLPFEGRA-GDBMZVCRSA-N 1 1 325.372 0.066 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)CC(C)(C)O)C1=O ZINC001049445675 758717360 /nfs/dbraw/zinc/71/73/60/758717360.db2.gz FVFFCVVSGONGPJ-XHSDSOJGSA-N 1 1 349.475 1.000 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCNC3=O)CCC[C@@H]12 ZINC001107494858 758749651 /nfs/dbraw/zinc/74/96/51/758749651.db2.gz CUTDBNKVUUZJOY-IIDMSEBBSA-N 1 1 335.448 0.686 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3csnn3)CCC[C@@H]12 ZINC001107488345 758754593 /nfs/dbraw/zinc/75/45/93/758754593.db2.gz DVSRGYHCJNSJIE-IUODEOHRSA-N 1 1 348.432 0.152 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107502205 758778981 /nfs/dbraw/zinc/77/89/81/758778981.db2.gz CAQGZUARZVROTK-SJKOYZFVSA-N 1 1 336.436 0.754 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(OC)cccc2OC)C1 ZINC001077317248 758780587 /nfs/dbraw/zinc/78/05/87/758780587.db2.gz HVSJHOFVOALJNE-HUUCEWRRSA-N 1 1 334.416 0.984 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ccn2)C1 ZINC001077324030 758807850 /nfs/dbraw/zinc/80/78/50/758807850.db2.gz QRRITUIMDZRPAG-IAGOWNOFSA-N 1 1 328.416 0.480 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049507206 758823764 /nfs/dbraw/zinc/82/37/64/758823764.db2.gz DVDGFGOLZNUHIV-CABCVRRESA-N 1 1 339.461 0.111 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049507908 758825153 /nfs/dbraw/zinc/82/51/53/758825153.db2.gz NFWCJGPQHZKKLO-LSDHHAIUSA-N 1 1 341.477 0.663 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC[C@H]2[C@H]1CCN2CC#N ZINC001049516313 758839735 /nfs/dbraw/zinc/83/97/35/758839735.db2.gz BQVLPPUIJHCSKK-ARFHVFGLSA-N 1 1 330.436 0.402 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](Cn1cccn1)N(C)C ZINC001049517922 758844627 /nfs/dbraw/zinc/84/46/27/758844627.db2.gz NMADOLWZYORTAE-ZACQAIPSSA-N 1 1 329.448 0.512 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001077359119 758904159 /nfs/dbraw/zinc/90/41/59/758904159.db2.gz WDHPNBMZHFADQU-FVQBIDKESA-N 1 1 332.375 0.876 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049553723 758915706 /nfs/dbraw/zinc/91/57/06/758915706.db2.gz WEDBSQZYBJANMW-HOTGVXAUSA-N 1 1 326.400 0.422 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001049557557 758919027 /nfs/dbraw/zinc/91/90/27/758919027.db2.gz ISVIYGUJAPYBEU-RBSFLKMASA-N 1 1 343.431 0.635 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 ZINC001049559196 758921301 /nfs/dbraw/zinc/92/13/01/758921301.db2.gz VVEGGTUBCXHGTN-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C[C@@H](CCNC(=O)CC[NH+]1CCOCC1)NC(=O)c1cc(C#N)c[nH]1 ZINC001077394090 758981278 /nfs/dbraw/zinc/98/12/78/758981278.db2.gz AWKZZXWPVJITLG-ZDUSSCGKSA-N 1 1 347.419 0.233 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001049616337 758998654 /nfs/dbraw/zinc/99/86/54/758998654.db2.gz TXUZLLFMXFURIR-JKSUJKDBSA-N 1 1 337.387 0.369 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001049628981 759013321 /nfs/dbraw/zinc/01/33/21/759013321.db2.gz IQEIAJJMENYYNF-CHWSQXEVSA-N 1 1 342.407 0.559 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001049631321 759019463 /nfs/dbraw/zinc/01/94/63/759019463.db2.gz WCNHUHQZZNQRRV-QWHCGFSZSA-N 1 1 340.391 0.006 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001049636111 759033725 /nfs/dbraw/zinc/03/37/25/759033725.db2.gz PEPLCWFCHYKRQO-RWMBFGLXSA-N 1 1 326.828 0.828 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001049636111 759033733 /nfs/dbraw/zinc/03/37/33/759033733.db2.gz PEPLCWFCHYKRQO-RWMBFGLXSA-N 1 1 326.828 0.828 20 30 ECEDMO O=C(NC1CN(CC#Cc2ccccc2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001030346620 762690026 /nfs/dbraw/zinc/69/00/26/762690026.db2.gz DDNADILAHUDCPO-RTBURBONSA-N 1 1 339.439 0.702 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001022842970 759165449 /nfs/dbraw/zinc/16/54/49/759165449.db2.gz NXQFNAVJHDAWED-FQLMCAECSA-N 1 1 348.451 0.972 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nnnc1C(C)C ZINC001049772349 759186817 /nfs/dbraw/zinc/18/68/17/759186817.db2.gz GBQVLTGIJCBGCA-GJZGRUSLSA-N 1 1 330.436 0.885 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049779171 759194501 /nfs/dbraw/zinc/19/45/01/759194501.db2.gz SJIZEQCMQBXKIF-SBUZTJRASA-N 1 1 332.404 0.226 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049779599 759194887 /nfs/dbraw/zinc/19/48/87/759194887.db2.gz VJIDXTPHZMCBIE-RYTBJUFESA-N 1 1 346.431 0.616 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049786701 759204479 /nfs/dbraw/zinc/20/44/79/759204479.db2.gz DJQBCBOAMZJQTQ-HUUCEWRRSA-N 1 1 346.431 0.568 20 30 ECEDMO N#Cc1cccc(CN2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC001030347945 762693692 /nfs/dbraw/zinc/69/36/92/762693692.db2.gz QCPWLZRISCHVFI-ZWKOTPCHSA-N 1 1 340.427 0.722 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049791803 759215729 /nfs/dbraw/zinc/21/57/29/759215729.db2.gz ZJINJYXMBVSTBC-VXGBXAGGSA-N 1 1 340.811 0.356 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049791803 759215737 /nfs/dbraw/zinc/21/57/37/759215737.db2.gz ZJINJYXMBVSTBC-VXGBXAGGSA-N 1 1 340.811 0.356 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049811582 759244100 /nfs/dbraw/zinc/24/41/00/759244100.db2.gz KCOXFGJPFSAXQJ-LSDHHAIUSA-N 1 1 344.415 0.827 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cnccc1=O ZINC001049817602 759249892 /nfs/dbraw/zinc/24/98/92/759249892.db2.gz LXYSEGDHXKNKHX-HOTGVXAUSA-N 1 1 328.416 0.722 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049830790 759266267 /nfs/dbraw/zinc/26/62/67/759266267.db2.gz IABQNKQWAAWMGO-GJZGRUSLSA-N 1 1 348.447 0.960 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O ZINC001049841446 759285249 /nfs/dbraw/zinc/28/52/49/759285249.db2.gz SQKMTHMMXOOPBY-LSDHHAIUSA-N 1 1 348.447 0.912 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C(=O)NC)nc1 ZINC001049848548 759297397 /nfs/dbraw/zinc/29/73/97/759297397.db2.gz OJHFYUUUJLFOCC-HZPDHXFCSA-N 1 1 326.400 0.753 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(CNC(C)=O)cc2)[C@@H](O)C1 ZINC001083612913 759299531 /nfs/dbraw/zinc/29/95/31/759299531.db2.gz SDYLSOFCKVOQCT-SJORKVTESA-N 1 1 331.416 0.674 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001049861921 759312911 /nfs/dbraw/zinc/31/29/11/759312911.db2.gz GBGPPCRYNYDLEY-LZWOXQAQSA-N 1 1 341.477 0.710 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001047629664 759340300 /nfs/dbraw/zinc/34/03/00/759340300.db2.gz QICLZNOSYLTILG-STQMWFEESA-N 1 1 326.828 0.843 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCN(C(N)=O)CC1 ZINC001049883125 759342060 /nfs/dbraw/zinc/34/20/60/759342060.db2.gz HJJQTZQSQKROHL-HOTGVXAUSA-N 1 1 332.448 0.866 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCN(C(N)=O)CC1 ZINC001049883122 759342391 /nfs/dbraw/zinc/34/23/91/759342391.db2.gz HFPNMYARIMEOTB-JKSUJKDBSA-N 1 1 332.448 0.866 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047635645 759362919 /nfs/dbraw/zinc/36/29/19/759362919.db2.gz IOGJCQLXIWXEHB-ULQDDVLXSA-N 1 1 349.475 0.552 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047635645 759362927 /nfs/dbraw/zinc/36/29/27/759362927.db2.gz IOGJCQLXIWXEHB-ULQDDVLXSA-N 1 1 349.475 0.552 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)[C@H]1CCC[N@H+]1C ZINC001125000964 759373486 /nfs/dbraw/zinc/37/34/86/759373486.db2.gz PRYGKNQCNMSELN-LSDHHAIUSA-N 1 1 331.420 0.303 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001049898335 759374536 /nfs/dbraw/zinc/37/45/36/759374536.db2.gz ARSSLJRTYIRFBY-QLFBSQMISA-N 1 1 341.477 0.710 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccnc1C(N)=O ZINC001049907927 759392193 /nfs/dbraw/zinc/39/21/93/759392193.db2.gz LMUUGOWFZFAQPN-GJZGRUSLSA-N 1 1 326.400 0.883 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 ZINC001049918454 759401692 /nfs/dbraw/zinc/40/16/92/759401692.db2.gz LDJHWOSKJFBZLS-KGLIPLIRSA-N 1 1 332.408 0.018 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001054242952 767859002 /nfs/dbraw/zinc/85/90/02/767859002.db2.gz UJOATCNFUQCGLY-HOCLYGCPSA-N 1 1 339.461 0.016 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(OC2C[NH+](CCCOC)C2)CC1 ZINC001105708505 759632642 /nfs/dbraw/zinc/63/26/42/759632642.db2.gz LKFYTZGPKIFLFL-OAHLLOKOSA-N 1 1 338.448 0.753 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001060209149 759646111 /nfs/dbraw/zinc/64/61/11/759646111.db2.gz CRKBMRFMGHAJCZ-HIFRSBDPSA-N 1 1 345.403 0.136 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001060209149 759646117 /nfs/dbraw/zinc/64/61/17/759646117.db2.gz CRKBMRFMGHAJCZ-HIFRSBDPSA-N 1 1 345.403 0.136 20 30 ECEDMO CC#CCN1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)cc2C1 ZINC001054260559 767878139 /nfs/dbraw/zinc/87/81/39/767878139.db2.gz SHNCHNDRAJOMJJ-SFHVURJKSA-N 1 1 327.428 0.972 20 30 ECEDMO CC#CCN1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2C1 ZINC001054260559 767878145 /nfs/dbraw/zinc/87/81/45/767878145.db2.gz SHNCHNDRAJOMJJ-SFHVURJKSA-N 1 1 327.428 0.972 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC001050100850 759702201 /nfs/dbraw/zinc/70/22/01/759702201.db2.gz VLWVKUFNFBYSHB-CWRNSKLLSA-N 1 1 343.431 0.864 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001050110111 759724564 /nfs/dbraw/zinc/72/45/64/759724564.db2.gz GEOITJMPFVTEPN-UONOGXRCSA-N 1 1 340.855 0.094 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001050110111 759724559 /nfs/dbraw/zinc/72/45/59/759724559.db2.gz GEOITJMPFVTEPN-UONOGXRCSA-N 1 1 340.855 0.094 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)[C@@H]2C1 ZINC001050110050 759725172 /nfs/dbraw/zinc/72/51/72/759725172.db2.gz XCYOAIUABNMWHT-QWHCGFSZSA-N 1 1 342.407 0.416 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC001050125680 759759471 /nfs/dbraw/zinc/75/94/71/759759471.db2.gz DSGQZKJMJLOZOH-RVKKMQEKSA-N 1 1 341.459 0.866 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001050131440 759772054 /nfs/dbraw/zinc/77/20/54/759772054.db2.gz SJLNBOAXJHOHCX-GOEBONIOSA-N 1 1 329.375 0.585 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001050131440 759772059 /nfs/dbraw/zinc/77/20/59/759772059.db2.gz SJLNBOAXJHOHCX-GOEBONIOSA-N 1 1 329.375 0.585 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@H+]([C@H](CC)C(N)=O)C[C@H]32)c1 ZINC001050135645 759779531 /nfs/dbraw/zinc/77/95/31/759779531.db2.gz LEUWUAXPYYVNJA-USXIJHARSA-N 1 1 340.427 0.863 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3ccn[nH]3)CC2(C)C)C1=O ZINC000995608405 759865036 /nfs/dbraw/zinc/86/50/36/759865036.db2.gz NJOQYBJHHGOMAH-HUUCEWRRSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CN(C(=O)Cc3ccn[nH]3)CC2(C)C)C1=O ZINC000995608390 759865369 /nfs/dbraw/zinc/86/53/69/759865369.db2.gz NJOQYBJHHGOMAH-CABCVRRESA-N 1 1 345.447 0.566 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001050179417 759878982 /nfs/dbraw/zinc/87/89/82/759878982.db2.gz JKCUIYKRUDKRPJ-ZMSDIMECSA-N 1 1 343.431 0.799 20 30 ECEDMO Cc1cc(C#N)nc(NC/C=C/CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001107093264 759907610 /nfs/dbraw/zinc/90/76/10/759907610.db2.gz COLIDDGRNBOWGG-RDFMZFSFSA-N 1 1 330.392 0.072 20 30 ECEDMO Cc1cc(C#N)nc(NC/C=C/CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001107093264 759907613 /nfs/dbraw/zinc/90/76/13/759907613.db2.gz COLIDDGRNBOWGG-RDFMZFSFSA-N 1 1 330.392 0.072 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050205696 759938753 /nfs/dbraw/zinc/93/87/53/759938753.db2.gz RSUGJLKRCXSGCX-BFHYXJOUSA-N 1 1 327.450 0.177 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)OC2(CC[NH+](CC(=O)NC)CC2)C1 ZINC001111538333 760050547 /nfs/dbraw/zinc/05/05/47/760050547.db2.gz GXLWAHLYPQGYEP-AWEZNQCLSA-N 1 1 339.436 0.017 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C ZINC001050319751 760118272 /nfs/dbraw/zinc/11/82/72/760118272.db2.gz XQFOKRSWWWINQK-RISCZKNCSA-N 1 1 325.376 0.637 20 30 ECEDMO C=C(Br)CN1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645793 760344405 /nfs/dbraw/zinc/34/44/05/760344405.db2.gz UDUZJQCNAUOGEG-NEPJUHHUSA-N 1 1 343.225 0.261 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3nnn(C)n3)C2)c1 ZINC001048384491 760412140 /nfs/dbraw/zinc/41/21/40/760412140.db2.gz WOJWYZHHFAZXPC-DOMZBBRYSA-N 1 1 339.403 0.084 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](CNCc3cnon3)C2)CC1 ZINC001048479358 760592980 /nfs/dbraw/zinc/59/29/80/760592980.db2.gz MQBJFYOGGYLKHD-GOEBONIOSA-N 1 1 345.447 0.599 20 30 ECEDMO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C3CCOCC3)nn1)C2 ZINC001098172601 760637828 /nfs/dbraw/zinc/63/78/28/760637828.db2.gz WWULAFZSAUJBKR-INMHGKMJSA-N 1 1 343.431 0.988 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1O ZINC001048539173 760682670 /nfs/dbraw/zinc/68/26/70/760682670.db2.gz CHPTVDVCVKOQAZ-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001048574637 760740040 /nfs/dbraw/zinc/74/00/40/760740040.db2.gz MQPGNSIEFDBSKK-YOWGUQMCSA-N 1 1 333.432 0.975 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3n[nH]nc3C1)C2 ZINC001048581979 760751478 /nfs/dbraw/zinc/75/14/78/760751478.db2.gz BHNRHWQTWNMPDJ-APIJFGDWSA-N 1 1 327.432 0.902 20 30 ECEDMO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3[nH]nnc3C1)C2 ZINC001048581979 760751481 /nfs/dbraw/zinc/75/14/81/760751481.db2.gz BHNRHWQTWNMPDJ-APIJFGDWSA-N 1 1 327.432 0.902 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3[nH]nnc3C1)C2 ZINC001048581979 760751490 /nfs/dbraw/zinc/75/14/90/760751490.db2.gz BHNRHWQTWNMPDJ-APIJFGDWSA-N 1 1 327.432 0.902 20 30 ECEDMO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3nn[nH]c3C1)C2 ZINC001048581979 760751499 /nfs/dbraw/zinc/75/14/99/760751499.db2.gz BHNRHWQTWNMPDJ-APIJFGDWSA-N 1 1 327.432 0.902 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3nn[nH]c3C1)C2 ZINC001048581979 760751508 /nfs/dbraw/zinc/75/15/08/760751508.db2.gz BHNRHWQTWNMPDJ-APIJFGDWSA-N 1 1 327.432 0.902 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)nc1 ZINC001048582405 760751989 /nfs/dbraw/zinc/75/19/89/760751989.db2.gz MSFLRSDKJQNVNC-HNKHHVNMSA-N 1 1 340.427 0.910 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1nccnc1C(N)=O)C2 ZINC001048588043 760760859 /nfs/dbraw/zinc/76/08/59/760760859.db2.gz HVVCXFMLLNSOKI-CLLJXQQHSA-N 1 1 327.388 0.182 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2cnon2)C(C)(C)C1 ZINC000995921436 760779622 /nfs/dbraw/zinc/77/96/22/760779622.db2.gz IDJWLECCVSGKQR-LSDHHAIUSA-N 1 1 331.420 0.494 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2cnon2)C(C)(C)C1 ZINC000995921436 760779624 /nfs/dbraw/zinc/77/96/24/760779624.db2.gz IDJWLECCVSGKQR-LSDHHAIUSA-N 1 1 331.420 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2cnon2)C(C)(C)C1 ZINC000995921428 760779695 /nfs/dbraw/zinc/77/96/95/760779695.db2.gz IDJWLECCVSGKQR-GJZGRUSLSA-N 1 1 331.420 0.494 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2cnon2)C(C)(C)C1 ZINC000995921428 760779697 /nfs/dbraw/zinc/77/96/97/760779697.db2.gz IDJWLECCVSGKQR-GJZGRUSLSA-N 1 1 331.420 0.494 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccoc2)[C@@H](O)C1 ZINC001083665556 760799938 /nfs/dbraw/zinc/79/99/38/760799938.db2.gz NGJXYEYMFWVHOU-CABCVRRESA-N 1 1 328.372 0.478 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001050779396 760835807 /nfs/dbraw/zinc/83/58/07/760835807.db2.gz LOUYJXAYPAMCGT-GOEBONIOSA-N 1 1 346.431 0.585 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1nccnc1C#N ZINC001048711395 760996457 /nfs/dbraw/zinc/99/64/57/760996457.db2.gz XAWBTXRZTMXSEW-KCQAQPDRSA-N 1 1 328.420 0.773 20 30 ECEDMO Cc1csc(=O)n1CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 ZINC001048725832 761049932 /nfs/dbraw/zinc/04/99/32/761049932.db2.gz WYQHSCSAQOFYCJ-BNOWGMLFSA-N 1 1 334.445 0.768 20 30 ECEDMO C[NH+](C)CC#CCNC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC000913521642 761050395 /nfs/dbraw/zinc/05/03/95/761050395.db2.gz HRRFNYFRUOJRGD-UHFFFAOYSA-N 1 1 344.346 0.169 20 30 ECEDMO COCc1noc([C@@H](C)[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1 ZINC001048726556 761051773 /nfs/dbraw/zinc/05/17/73/761051773.db2.gz FVSXFFQEEZLSRT-LPWJVIDDSA-N 1 1 333.392 0.827 20 30 ECEDMO COCc1noc([C@@H](C)[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1 ZINC001048726556 761051784 /nfs/dbraw/zinc/05/17/84/761051784.db2.gz FVSXFFQEEZLSRT-LPWJVIDDSA-N 1 1 333.392 0.827 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC(C)CC3)C[C@@H]2C1 ZINC001048727527 761053902 /nfs/dbraw/zinc/05/39/02/761053902.db2.gz LHXYBROGSAJFKT-HRCADAONSA-N 1 1 332.448 0.795 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4cc[nH]n4)C[C@H]3C2)C1=O ZINC001048737414 761082367 /nfs/dbraw/zinc/08/23/67/761082367.db2.gz VMABVGLGXFCIRQ-IJEWVQPXSA-N 1 1 343.431 0.129 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)Cc4ccn[nH]4)C[C@H]3C2)C1=O ZINC001048737414 761082376 /nfs/dbraw/zinc/08/23/76/761082376.db2.gz VMABVGLGXFCIRQ-IJEWVQPXSA-N 1 1 343.431 0.129 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4ccn[nH]4)C[C@H]3C2)C1=O ZINC001048737414 761082381 /nfs/dbraw/zinc/08/23/81/761082381.db2.gz VMABVGLGXFCIRQ-IJEWVQPXSA-N 1 1 343.431 0.129 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001048740434 761096088 /nfs/dbraw/zinc/09/60/88/761096088.db2.gz CIZNVHVLGOEMPG-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO CCn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048750649 761110623 /nfs/dbraw/zinc/11/06/23/761110623.db2.gz ZHRFQHMFZOWFPN-OKILXGFUSA-N 1 1 339.403 0.702 20 30 ECEDMO C[C@H](c1nncn1C)[N@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048750674 761111702 /nfs/dbraw/zinc/11/17/02/761111702.db2.gz ZZKKAPHTYOFHFX-BNOWGMLFSA-N 1 1 339.403 0.780 20 30 ECEDMO C[C@H](c1nncn1C)[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048750674 761111704 /nfs/dbraw/zinc/11/17/04/761111704.db2.gz ZZKKAPHTYOFHFX-BNOWGMLFSA-N 1 1 339.403 0.780 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1O ZINC001048754008 761117390 /nfs/dbraw/zinc/11/73/90/761117390.db2.gz JFCIVRVQVRERKL-PMPSAXMXSA-N 1 1 335.448 0.162 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001048754321 761118254 /nfs/dbraw/zinc/11/82/54/761118254.db2.gz PCILPEWPEJMLEJ-IKGGRYGDSA-N 1 1 349.475 0.693 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001017464515 768012248 /nfs/dbraw/zinc/01/22/48/768012248.db2.gz IVDKKEQXIFGXOA-BBWFWOEESA-N 1 1 347.459 0.804 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CNc2ccnc(C#N)n2)C1 ZINC001060260021 761265321 /nfs/dbraw/zinc/26/53/21/761265321.db2.gz QRIVRWQKGGPTLT-CABCVRRESA-N 1 1 342.447 0.905 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2n[nH]nc21 ZINC001051018945 761346985 /nfs/dbraw/zinc/34/69/85/761346985.db2.gz ZCBBVUAULQRZFE-LBPRGKRZSA-N 1 1 330.392 0.750 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2n[nH]nc21 ZINC001051018945 761346993 /nfs/dbraw/zinc/34/69/93/761346993.db2.gz ZCBBVUAULQRZFE-LBPRGKRZSA-N 1 1 330.392 0.750 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)n1C ZINC001054549906 768039086 /nfs/dbraw/zinc/03/90/86/768039086.db2.gz RCXIDHQWZSMBIV-SMDDNHRTSA-N 1 1 341.419 0.828 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(=O)n(CCOC)c3)CCC[C@@H]12 ZINC000991542962 761485469 /nfs/dbraw/zinc/48/54/69/761485469.db2.gz SOMDMBBOUFSWLN-VQIMIIECSA-N 1 1 343.427 0.855 20 30 ECEDMO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1ncnn1CCF ZINC001054566662 768043385 /nfs/dbraw/zinc/04/33/85/768043385.db2.gz BMEXDZDLJXLRTP-FZMZJTMJSA-N 1 1 345.382 0.698 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001054571644 768046029 /nfs/dbraw/zinc/04/60/29/768046029.db2.gz LLVKHRYRFQZZRM-FZMZJTMJSA-N 1 1 342.407 0.704 20 30 ECEDMO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](CNc2ccnc(C#N)n2)[C@H](C)C1 ZINC001054571174 768046070 /nfs/dbraw/zinc/04/60/70/768046070.db2.gz LYRJWXKKDDIGHG-RBSFLKMASA-N 1 1 342.447 0.761 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1C ZINC001106278686 768056038 /nfs/dbraw/zinc/05/60/38/768056038.db2.gz GZBMNABMFXTFLI-KLHDSHLOSA-N 1 1 330.432 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]cc3F)[C@H]2C)C1=O ZINC001088840448 761746929 /nfs/dbraw/zinc/74/69/29/761746929.db2.gz JSGGTJVAQIGPQU-KGYLQXTDSA-N 1 1 335.383 0.528 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3n[nH]cc3F)[C@H]2C)C1=O ZINC001088840448 761746931 /nfs/dbraw/zinc/74/69/31/761746931.db2.gz JSGGTJVAQIGPQU-KGYLQXTDSA-N 1 1 335.383 0.528 20 30 ECEDMO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3COC(=O)N3)cccc2C1 ZINC001051287334 761829670 /nfs/dbraw/zinc/82/96/70/761829670.db2.gz SNGAVNHJVKVHBI-INIZCTEOSA-N 1 1 327.384 0.793 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCC(=O)NC3)cccc2C1 ZINC001051291885 761837924 /nfs/dbraw/zinc/83/79/24/761837924.db2.gz DUQZCPZQDFREJR-OAHLLOKOSA-N 1 1 325.412 0.820 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CN(C)C(=O)N3)cccc2C1 ZINC001051296909 761845874 /nfs/dbraw/zinc/84/58/74/761845874.db2.gz CGTSPIYEMYMUIA-INIZCTEOSA-N 1 1 326.400 0.318 20 30 ECEDMO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@H]3CNC(=O)N3)cccc2C1 ZINC001051298898 761852258 /nfs/dbraw/zinc/85/22/58/761852258.db2.gz AMVKZXXHMUTSQZ-MRXNPFEDSA-N 1 1 326.400 0.366 20 30 ECEDMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212165711 761870606 /nfs/dbraw/zinc/87/06/06/761870606.db2.gz HRZKCLCRKURUQA-HUUCEWRRSA-N 1 1 330.388 0.010 20 30 ECEDMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212165711 761870615 /nfs/dbraw/zinc/87/06/15/761870615.db2.gz HRZKCLCRKURUQA-HUUCEWRRSA-N 1 1 330.388 0.010 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001051699464 762726285 /nfs/dbraw/zinc/72/62/85/762726285.db2.gz GPMKINFKHDMIRH-HOTGVXAUSA-N 1 1 340.387 0.214 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 ZINC001105917415 762757697 /nfs/dbraw/zinc/75/76/97/762757697.db2.gz HZGMUIVTENAWFI-AWEZNQCLSA-N 1 1 334.424 0.278 20 30 ECEDMO N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)c(F)c1 ZINC001105928926 762853626 /nfs/dbraw/zinc/85/36/26/762853626.db2.gz ZOUQHBVCHMVNGB-DYVFJYSZSA-N 1 1 347.394 0.467 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1=O ZINC001014613065 762901836 /nfs/dbraw/zinc/90/18/36/762901836.db2.gz ATKDVKVEBCLSSM-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC1=O ZINC001014613065 762901841 /nfs/dbraw/zinc/90/18/41/762901841.db2.gz ATKDVKVEBCLSSM-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H](C)C#N)CC1 ZINC001017539085 768094597 /nfs/dbraw/zinc/09/45/97/768094597.db2.gz WAWWODANENDTCZ-ZBFHGGJFSA-N 1 1 328.416 0.519 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H](C)C#N)CC1 ZINC001017539085 768094604 /nfs/dbraw/zinc/09/46/04/768094604.db2.gz WAWWODANENDTCZ-ZBFHGGJFSA-N 1 1 328.416 0.519 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)cc1 ZINC001014712342 763028509 /nfs/dbraw/zinc/02/85/09/763028509.db2.gz RXIIBQHEYKLJDK-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cn(C)nc3C)C2)C1=O ZINC001014750687 763087900 /nfs/dbraw/zinc/08/79/00/763087900.db2.gz BBIIBFPWGSEHAC-HOTGVXAUSA-N 1 1 345.447 0.248 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cn(C)nc3C)C2)C1=O ZINC001014750687 763087907 /nfs/dbraw/zinc/08/79/07/763087907.db2.gz BBIIBFPWGSEHAC-HOTGVXAUSA-N 1 1 345.447 0.248 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)nc1 ZINC001046783719 763121835 /nfs/dbraw/zinc/12/18/35/763121835.db2.gz RWOGYUGGUXLZCK-SFHVURJKSA-N 1 1 341.415 0.282 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001046784105 763122106 /nfs/dbraw/zinc/12/21/06/763122106.db2.gz XCONPZWDGGCMMJ-SFHVURJKSA-N 1 1 325.368 0.788 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)nc1 ZINC001046783718 763122296 /nfs/dbraw/zinc/12/22/96/763122296.db2.gz RWOGYUGGUXLZCK-GOSISDBHSA-N 1 1 341.415 0.282 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2cn(CC)nn2)C1 ZINC001089842135 763123779 /nfs/dbraw/zinc/12/37/79/763123779.db2.gz IJVMKGCRFBAMKO-HJWJTTGWSA-N 1 1 327.432 0.643 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C(C)C)[nH]2)C1 ZINC001014769241 763124588 /nfs/dbraw/zinc/12/45/88/763124588.db2.gz JHWZICIMMKSPMA-GJZGRUSLSA-N 1 1 344.463 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C(C)C)[nH]2)C1 ZINC001014769241 763124595 /nfs/dbraw/zinc/12/45/95/763124595.db2.gz JHWZICIMMKSPMA-GJZGRUSLSA-N 1 1 344.463 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnnn2C(C)C)C1 ZINC001014770121 763125950 /nfs/dbraw/zinc/12/59/50/763125950.db2.gz OSGHEPQEWRCRBO-GJZGRUSLSA-N 1 1 345.451 0.042 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnnn2C(C)C)C1 ZINC001014770121 763125953 /nfs/dbraw/zinc/12/59/53/763125953.db2.gz OSGHEPQEWRCRBO-GJZGRUSLSA-N 1 1 345.451 0.042 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001105973190 763139789 /nfs/dbraw/zinc/13/97/89/763139789.db2.gz WDHKWKMBXWYUBP-DZGCQCFKSA-N 1 1 349.410 0.854 20 30 ECEDMO Cc1cc(C#N)nc(NC2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001051878781 763188097 /nfs/dbraw/zinc/18/80/97/763188097.db2.gz OKFUFODUUQELMU-PIMMBPRGSA-N 1 1 344.419 0.294 20 30 ECEDMO Cc1cc(C#N)nc(NC2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001051878781 763188101 /nfs/dbraw/zinc/18/81/01/763188101.db2.gz OKFUFODUUQELMU-PIMMBPRGSA-N 1 1 344.419 0.294 20 30 ECEDMO Cc1nsc(NC2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001051879115 763189233 /nfs/dbraw/zinc/18/92/33/763189233.db2.gz SPYKQBSJJSLAAE-ORHYLEIMSA-N 1 1 349.460 0.961 20 30 ECEDMO Cc1nsc(NC2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001051879115 763189241 /nfs/dbraw/zinc/18/92/41/763189241.db2.gz SPYKQBSJJSLAAE-ORHYLEIMSA-N 1 1 349.460 0.961 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cncs3)C2)C1=O ZINC001014838203 763280785 /nfs/dbraw/zinc/28/07/85/763280785.db2.gz JYNMSOXFJXZSCY-TZMCWYRMSA-N 1 1 334.445 0.663 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cncs3)C2)C1=O ZINC001014838203 763280789 /nfs/dbraw/zinc/28/07/89/763280789.db2.gz JYNMSOXFJXZSCY-TZMCWYRMSA-N 1 1 334.445 0.663 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncccn3)C2)nc1 ZINC001051908839 763303694 /nfs/dbraw/zinc/30/36/94/763303694.db2.gz MWBYTPXAKDWPKW-HNNXBMFYSA-N 1 1 337.383 0.484 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CCCC(=O)N1 ZINC001014859910 763320380 /nfs/dbraw/zinc/32/03/80/763320380.db2.gz KNERMEFKEHCVDS-DLBZAZTESA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCCC(=O)N1 ZINC001014859910 763320386 /nfs/dbraw/zinc/32/03/86/763320386.db2.gz KNERMEFKEHCVDS-DLBZAZTESA-N 1 1 325.412 0.897 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001046946730 763437975 /nfs/dbraw/zinc/43/79/75/763437975.db2.gz YCSRPUSBFSFSAC-UONOGXRCSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001046946730 763437978 /nfs/dbraw/zinc/43/79/78/763437978.db2.gz YCSRPUSBFSFSAC-UONOGXRCSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOC)CCC1(F)F ZINC001046947697 763439386 /nfs/dbraw/zinc/43/93/86/763439386.db2.gz WFGPQOVVPXUTSL-CABCVRRESA-N 1 1 343.418 0.804 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046950324 763445386 /nfs/dbraw/zinc/44/53/86/763445386.db2.gz GTTLJYUDIWAVAZ-LLVKDONJSA-N 1 1 326.347 0.653 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001046951496 763448126 /nfs/dbraw/zinc/44/81/26/763448126.db2.gz MNUVYXMGKIPGDE-OLZOCXBDSA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C[C@H](O)Cc2ccccc2)C1 ZINC001030464233 763456213 /nfs/dbraw/zinc/45/62/13/763456213.db2.gz LRRBCGHFFRZKLJ-MOPGFXCFSA-N 1 1 341.455 0.488 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C[C@H](O)Cc2ccccc2)C1 ZINC001030464233 763456219 /nfs/dbraw/zinc/45/62/19/763456219.db2.gz LRRBCGHFFRZKLJ-MOPGFXCFSA-N 1 1 341.455 0.488 20 30 ECEDMO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCCc3[nH+]ccn32)nc1 ZINC001105995220 763475070 /nfs/dbraw/zinc/47/50/70/763475070.db2.gz PRXTZDCTQMCRSK-ZIAGYGMSSA-N 1 1 340.387 0.616 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001046968396 763484424 /nfs/dbraw/zinc/48/44/24/763484424.db2.gz FVHLKFGJXYHQJF-FRRDWIJNSA-N 1 1 329.391 0.970 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001046970222 763488944 /nfs/dbraw/zinc/48/89/44/763488944.db2.gz HWDMPMZLBVCSJO-JTQLQIEISA-N 1 1 349.341 0.984 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001046970222 763488949 /nfs/dbraw/zinc/48/89/49/763488949.db2.gz HWDMPMZLBVCSJO-JTQLQIEISA-N 1 1 349.341 0.984 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001046974604 763494195 /nfs/dbraw/zinc/49/41/95/763494195.db2.gz OEQWNYOVWZAMDX-SNVBAGLBSA-N 1 1 326.347 0.987 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)CC1 ZINC001051976740 763494366 /nfs/dbraw/zinc/49/43/66/763494366.db2.gz KBVLRWVPRDRTIS-CQSZACIVSA-N 1 1 329.404 0.038 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001046983188 763507577 /nfs/dbraw/zinc/50/75/77/763507577.db2.gz XYUBNQSOMAGENF-LBPRGKRZSA-N 1 1 338.358 0.583 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001046983188 763507582 /nfs/dbraw/zinc/50/75/82/763507582.db2.gz XYUBNQSOMAGENF-LBPRGKRZSA-N 1 1 338.358 0.583 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001046992554 763528121 /nfs/dbraw/zinc/52/81/21/763528121.db2.gz YFDDZAKYFDXTSN-LSDHHAIUSA-N 1 1 341.402 0.952 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046995196 763534253 /nfs/dbraw/zinc/53/42/53/763534253.db2.gz NXRAHBWYAWECKX-GFCCVEGCSA-N 1 1 342.390 0.987 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(OC)no3)C2)CC1 ZINC001052014046 763587890 /nfs/dbraw/zinc/58/78/90/763587890.db2.gz CLMPQEBLFNCENP-AWEZNQCLSA-N 1 1 332.404 0.539 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)C1 ZINC001106004191 763611543 /nfs/dbraw/zinc/61/15/43/763611543.db2.gz OBMCTXCPADUMHX-HIFRSBDPSA-N 1 1 346.435 0.215 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)CC1 ZINC001052026206 763618305 /nfs/dbraw/zinc/61/83/05/763618305.db2.gz BXIOTVYIXWZSIK-OKZBNKHCSA-N 1 1 339.443 0.927 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)c1ccnn1C ZINC001052030168 763627302 /nfs/dbraw/zinc/62/73/02/763627302.db2.gz ISVOQCYUCWPJTG-CABCVRRESA-N 1 1 330.436 0.266 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032937 763636551 /nfs/dbraw/zinc/63/65/51/763636551.db2.gz KUAOXGSESXOZNS-QGZVFWFLSA-N 1 1 327.432 0.261 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052035627 763643950 /nfs/dbraw/zinc/64/39/50/763643950.db2.gz LWNLRTOVNQYCQE-IRXDYDNUSA-N 1 1 333.480 0.603 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C4CC4)n(C)n3)C2)CC1 ZINC001052035832 763645487 /nfs/dbraw/zinc/64/54/87/763645487.db2.gz QZEFPRFMYZAWMZ-INIZCTEOSA-N 1 1 341.459 0.763 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C(C)(C)C1 ZINC000941232206 763663609 /nfs/dbraw/zinc/66/36/09/763663609.db2.gz DUCGVKSYHCLAOF-SJORKVTESA-N 1 1 333.476 0.947 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)C3CCC(C(N)=O)CC3)C2)CC1 ZINC001052044271 763678841 /nfs/dbraw/zinc/67/88/41/763678841.db2.gz FKBVRZYXAAHCAG-GPANFISMSA-N 1 1 347.463 0.020 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C2)CC1 ZINC001052044762 763680427 /nfs/dbraw/zinc/68/04/27/763680427.db2.gz LUHRUEMENLNOMJ-KRWDZBQOSA-N 1 1 342.443 0.804 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](O)CNc1cc(C)ncc1C#N ZINC001106011346 763694968 /nfs/dbraw/zinc/69/49/68/763694968.db2.gz NYWZAHUWXCYBOJ-CQSZACIVSA-N 1 1 333.436 0.303 20 30 ECEDMO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc(C)nn3C)C2)CC1 ZINC001052048659 763698183 /nfs/dbraw/zinc/69/81/83/763698183.db2.gz AHCQVYAXISSAHR-KRWDZBQOSA-N 1 1 343.475 0.513 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc(C)nn3C)C2)CC1 ZINC001052049175 763699880 /nfs/dbraw/zinc/69/98/80/763699880.db2.gz IQEGRMVWRNHARU-INIZCTEOSA-N 1 1 329.448 0.123 20 30 ECEDMO Cc1cc(C)n(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052049539 763702418 /nfs/dbraw/zinc/70/24/18/763702418.db2.gz NHNOEXYYXPJJLE-MRXNPFEDSA-N 1 1 330.436 0.242 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(OC)nc3)C2)CC1 ZINC001052049807 763704109 /nfs/dbraw/zinc/70/41/09/763704109.db2.gz QHJDZNVQVIWGMK-KRWDZBQOSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(Cl)n3C)C2)CC1 ZINC001052052505 763715540 /nfs/dbraw/zinc/71/55/40/763715540.db2.gz OICCPFVXIRLCMU-CYBMUJFWSA-N 1 1 335.839 0.539 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC)C3)nc1 ZINC001047184300 763780150 /nfs/dbraw/zinc/78/01/50/763780150.db2.gz XJLYOJFNBKEUQU-ZNMIVQPWSA-N 1 1 326.400 0.392 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C(N)=O)co3)C2)CC1 ZINC001052079171 763791645 /nfs/dbraw/zinc/79/16/45/763791645.db2.gz FPTCFJWRLNGXGV-HNNXBMFYSA-N 1 1 344.415 0.234 20 30 ECEDMO C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CS(C)(=O)=O)C2)CC1 ZINC001047226005 763815541 /nfs/dbraw/zinc/81/55/41/763815541.db2.gz YMDMWADKYJDJAU-OAHLLOKOSA-N 1 1 326.462 0.615 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4cccnn34)C2)CC1 ZINC001052094454 763839029 /nfs/dbraw/zinc/83/90/29/763839029.db2.gz SZWPNVCGCHSXOS-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C2)CC1 ZINC001052102341 763866079 /nfs/dbraw/zinc/86/60/79/763866079.db2.gz DXEMZKSUOHWNGQ-MRXNPFEDSA-N 1 1 344.463 0.706 20 30 ECEDMO C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052103880 763870652 /nfs/dbraw/zinc/87/06/52/763870652.db2.gz VPWFVCOTGUHTPV-WBVHZDCISA-N 1 1 344.463 0.341 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(OC)nn3)C2)CC1 ZINC001052105193 763875295 /nfs/dbraw/zinc/87/52/95/763875295.db2.gz HRAHKRIMCMUERK-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106271 763880658 /nfs/dbraw/zinc/88/06/58/763880658.db2.gz GXAOJAQMNQOPPW-IEBWSBKVSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106969 763883041 /nfs/dbraw/zinc/88/30/41/763883041.db2.gz YFYCVVAKDKRUSP-RDJZCZTQSA-N 1 1 343.475 0.919 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)CC1 ZINC001052106745 763883801 /nfs/dbraw/zinc/88/38/01/763883801.db2.gz SVAJWFOIRCIJRY-OAHLLOKOSA-N 1 1 332.452 0.532 20 30 ECEDMO NC(=O)[C@@H]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)O1 ZINC001031972900 763891628 /nfs/dbraw/zinc/89/16/28/763891628.db2.gz LKMPGKAHUMMIDP-DLBZAZTESA-N 1 1 341.411 0.119 20 30 ECEDMO C=C(C)CN1CCN([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052108446 763891939 /nfs/dbraw/zinc/89/19/39/763891939.db2.gz MLKIJKGWCWPSPX-KRWDZBQOSA-N 1 1 332.492 0.877 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(CC)cn3)C2)CC1 ZINC001052108960 763892935 /nfs/dbraw/zinc/89/29/35/763892935.db2.gz UWVUYOGETCIPSI-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ncccc2C#N)C1 ZINC001106344885 768172809 /nfs/dbraw/zinc/17/28/09/768172809.db2.gz RHKOLJXBQFPADR-DZGCQCFKSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ncccc2C#N)C1 ZINC001106344885 768172818 /nfs/dbraw/zinc/17/28/18/768172818.db2.gz RHKOLJXBQFPADR-DZGCQCFKSA-N 1 1 331.420 0.981 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001212186910 763910100 /nfs/dbraw/zinc/91/01/00/763910100.db2.gz AZNMJWVIQDZDBF-IAGOWNOFSA-N 1 1 343.427 0.904 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001212186910 763910107 /nfs/dbraw/zinc/91/01/07/763910107.db2.gz AZNMJWVIQDZDBF-IAGOWNOFSA-N 1 1 343.427 0.904 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cncnc3CC)C2)CC1 ZINC001052118786 763932995 /nfs/dbraw/zinc/93/29/95/763932995.db2.gz XOISEOJFEBZYIW-MRXNPFEDSA-N 1 1 341.459 0.894 20 30 ECEDMO Cc1cc(=O)[nH]c(C)c1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052118961 763935150 /nfs/dbraw/zinc/93/51/50/763935150.db2.gz DUVKYPHDHDNAQB-OAHLLOKOSA-N 1 1 343.431 0.760 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)CC2)c1 ZINC001052190251 764031891 /nfs/dbraw/zinc/03/18/91/764031891.db2.gz JLIZBAFHVMICRY-MRXNPFEDSA-N 1 1 339.403 0.716 20 30 ECEDMO Cc1ncsc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047338226 764046297 /nfs/dbraw/zinc/04/62/97/764046297.db2.gz SEJRAEQLPOKWNR-KBPBESRZSA-N 1 1 345.428 0.969 20 30 ECEDMO Cc1ncsc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047338226 764046306 /nfs/dbraw/zinc/04/63/06/764046306.db2.gz SEJRAEQLPOKWNR-KBPBESRZSA-N 1 1 345.428 0.969 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001052220253 764079063 /nfs/dbraw/zinc/07/90/63/764079063.db2.gz IFMQEIVRIQIMPP-GJZGRUSLSA-N 1 1 325.453 0.742 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001047354160 764091291 /nfs/dbraw/zinc/09/12/91/764091291.db2.gz UEKRUANEWOJDSW-HOTGVXAUSA-N 1 1 332.404 0.430 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001047354113 764091647 /nfs/dbraw/zinc/09/16/47/764091647.db2.gz ZXJAFPUXMLDWDR-COXVUDFISA-N 1 1 346.431 0.820 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001047354333 764092561 /nfs/dbraw/zinc/09/25/61/764092561.db2.gz CAAOUBWCFNVFIT-HOTGVXAUSA-N 1 1 332.404 0.573 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001089866444 764159419 /nfs/dbraw/zinc/15/94/19/764159419.db2.gz CJAUAPMWWYAWHV-WSMBLCCSSA-N 1 1 340.427 0.919 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncc(OC)cn3)C2)C1=O ZINC001015212604 764160425 /nfs/dbraw/zinc/16/04/25/764160425.db2.gz QJLIMCMTBGCJTE-JSGCOSHPSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncc(OC)cn3)C2)C1=O ZINC001015212604 764160432 /nfs/dbraw/zinc/16/04/32/764160432.db2.gz QJLIMCMTBGCJTE-JSGCOSHPSA-N 1 1 345.403 0.076 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001047379569 764165402 /nfs/dbraw/zinc/16/54/02/764165402.db2.gz GLNJWABTZCEHSQ-IRXDYDNUSA-N 1 1 332.448 0.911 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cc[nH]n3)CC2)C1=O ZINC001052269950 764165920 /nfs/dbraw/zinc/16/59/20/764165920.db2.gz CVOLOKRDUWOUDW-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC001089866601 764168150 /nfs/dbraw/zinc/16/81/50/764168150.db2.gz DDUUMMCFNKHAGK-RANZSIQMSA-N 1 1 341.459 0.940 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001047380002 764168729 /nfs/dbraw/zinc/16/87/29/764168729.db2.gz UXUWCUUKMKGNNN-PVAVHDDUSA-N 1 1 346.431 0.293 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC001089867639 764171141 /nfs/dbraw/zinc/17/11/41/764171141.db2.gz KETQXINUYHMJKO-LLLHUVSDSA-N 1 1 327.432 0.550 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn3cc(Cl)ccc23)C1 ZINC001047386500 764184012 /nfs/dbraw/zinc/18/40/12/764184012.db2.gz XLUQHNBDXPLTSK-KBPBESRZSA-N 1 1 332.791 0.738 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn3cc(Cl)ccc23)C1 ZINC001047386500 764184017 /nfs/dbraw/zinc/18/40/17/764184017.db2.gz XLUQHNBDXPLTSK-KBPBESRZSA-N 1 1 332.791 0.738 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001047392802 764198262 /nfs/dbraw/zinc/19/82/62/764198262.db2.gz TWPQXDJOLXJLSE-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001047397086 764209204 /nfs/dbraw/zinc/20/92/04/764209204.db2.gz MCRFBMYHTYOMFN-JYJNAYRXSA-N 1 1 344.411 0.743 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNc1ccnc(C#N)n1 ZINC001106979909 764210819 /nfs/dbraw/zinc/21/08/19/764210819.db2.gz FUIIRWPGZRBQOJ-AWEZNQCLSA-N 1 1 330.436 0.905 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC001052309841 764226364 /nfs/dbraw/zinc/22/63/64/764226364.db2.gz OHTZEYIQQWGCFK-SWLSCSKDSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNc1cnc(C#N)cn1 ZINC001106985346 764240069 /nfs/dbraw/zinc/24/00/69/764240069.db2.gz JGCGOGXGAQYZSR-HNNXBMFYSA-N 1 1 326.404 0.706 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNc1cnc(C#N)cn1 ZINC001106985346 764240076 /nfs/dbraw/zinc/24/00/76/764240076.db2.gz JGCGOGXGAQYZSR-HNNXBMFYSA-N 1 1 326.404 0.706 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001047407709 764251632 /nfs/dbraw/zinc/25/16/32/764251632.db2.gz OURILTZQWRBICU-GJZGRUSLSA-N 1 1 345.399 0.825 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001047410104 764259086 /nfs/dbraw/zinc/25/90/86/764259086.db2.gz DKKPOELIYJFXRB-IKGGRYGDSA-N 1 1 341.411 0.040 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001047410104 764259091 /nfs/dbraw/zinc/25/90/91/764259091.db2.gz DKKPOELIYJFXRB-IKGGRYGDSA-N 1 1 341.411 0.040 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ccsc2)C[C@@H]1O ZINC001047415461 764275632 /nfs/dbraw/zinc/27/56/32/764275632.db2.gz ZQHJBPSBVFNGLX-ULQDDVLXSA-N 1 1 347.484 0.849 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1O ZINC001047415461 764275635 /nfs/dbraw/zinc/27/56/35/764275635.db2.gz ZQHJBPSBVFNGLX-ULQDDVLXSA-N 1 1 347.484 0.849 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(OC)ccc2OC)C1 ZINC001047416100 764277894 /nfs/dbraw/zinc/27/78/94/764277894.db2.gz UJRQPIXKKQVAIA-IRXDYDNUSA-N 1 1 346.427 0.773 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@H](CCNC(=O)CSCC#N)C1 ZINC001060394485 764282059 /nfs/dbraw/zinc/28/20/59/764282059.db2.gz FIMUFZQDXMCQLD-AWEZNQCLSA-N 1 1 340.493 0.940 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC001089869687 764294191 /nfs/dbraw/zinc/29/41/91/764294191.db2.gz ZJNBFFWYYZHCDO-OWLYRPNTSA-N 1 1 341.459 0.940 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC001089869689 764294330 /nfs/dbraw/zinc/29/43/30/764294330.db2.gz ZJNBFFWYYZHCDO-RANZSIQMSA-N 1 1 341.459 0.940 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001212188841 764310072 /nfs/dbraw/zinc/31/00/72/764310072.db2.gz FXMMDNDYHZXYPC-IAGOWNOFSA-N 1 1 343.427 0.904 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001212188841 764310075 /nfs/dbraw/zinc/31/00/75/764310075.db2.gz FXMMDNDYHZXYPC-IAGOWNOFSA-N 1 1 343.427 0.904 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001047426818 764311499 /nfs/dbraw/zinc/31/14/99/764311499.db2.gz JLLLKXHFNRVFDS-SNPRPXQTSA-N 1 1 334.420 0.147 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001047426818 764311510 /nfs/dbraw/zinc/31/15/10/764311510.db2.gz JLLLKXHFNRVFDS-SNPRPXQTSA-N 1 1 334.420 0.147 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001047427612 764312339 /nfs/dbraw/zinc/31/23/39/764312339.db2.gz YTOHVGIKUMPDNL-BPUTZDHNSA-N 1 1 330.432 0.606 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001047427875 764314811 /nfs/dbraw/zinc/31/48/11/764314811.db2.gz MBMSUJSCIPPKRE-JYJNAYRXSA-N 1 1 330.432 0.281 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001047427875 764314818 /nfs/dbraw/zinc/31/48/18/764314818.db2.gz MBMSUJSCIPPKRE-JYJNAYRXSA-N 1 1 330.432 0.281 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001047432803 764329220 /nfs/dbraw/zinc/32/92/20/764329220.db2.gz ISPNNBIAFHLGGC-IHRRRGAJSA-N 1 1 349.435 0.016 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001047433762 764333220 /nfs/dbraw/zinc/33/32/20/764333220.db2.gz KRFMZNHYDMAZBU-GJZGRUSLSA-N 1 1 332.404 0.422 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(c4cnc(C#N)cn4)C[C@@]3(C)C2)C1 ZINC001052365423 764340443 /nfs/dbraw/zinc/34/04/43/764340443.db2.gz BYCBIWRQHPIBAG-IYOUNJFTSA-N 1 1 340.431 0.585 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052379768 764370346 /nfs/dbraw/zinc/37/03/46/764370346.db2.gz RJRZXNJZWHSUDI-ZIAGYGMSSA-N 1 1 331.420 0.919 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC001088895948 764390407 /nfs/dbraw/zinc/39/04/07/764390407.db2.gz GPJOFERMGMLDBN-PWSUYJOCSA-N 1 1 340.811 0.029 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC001088895948 764390413 /nfs/dbraw/zinc/39/04/13/764390413.db2.gz GPJOFERMGMLDBN-PWSUYJOCSA-N 1 1 340.811 0.029 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1C ZINC001088913335 764430168 /nfs/dbraw/zinc/43/01/68/764430168.db2.gz RBCCBMSWKPQMSH-HZSPNIEDSA-N 1 1 329.466 0.566 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001047479092 764464404 /nfs/dbraw/zinc/46/44/04/764464404.db2.gz KTLOTDBGFNFAMD-GJZGRUSLSA-N 1 1 329.404 0.649 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001047479092 764464406 /nfs/dbraw/zinc/46/44/06/764464406.db2.gz KTLOTDBGFNFAMD-GJZGRUSLSA-N 1 1 329.404 0.649 20 30 ECEDMO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047479817 764467339 /nfs/dbraw/zinc/46/73/39/764467339.db2.gz YVYGCDQQFNXMAF-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047479817 764467341 /nfs/dbraw/zinc/46/73/41/764467341.db2.gz YVYGCDQQFNXMAF-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1nn[nH]c1C(=O)N(C)[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047482461 764478313 /nfs/dbraw/zinc/47/83/13/764478313.db2.gz XXJBZQFQRCJDDV-GJZGRUSLSA-N 1 1 340.387 0.302 20 30 ECEDMO Cc1n[nH]nc1C(=O)N(C)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047482461 764478320 /nfs/dbraw/zinc/47/83/20/764478320.db2.gz XXJBZQFQRCJDDV-GJZGRUSLSA-N 1 1 340.387 0.302 20 30 ECEDMO Cc1n[nH]nc1C(=O)N(C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047482461 764478328 /nfs/dbraw/zinc/47/83/28/764478328.db2.gz XXJBZQFQRCJDDV-GJZGRUSLSA-N 1 1 340.387 0.302 20 30 ECEDMO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001047499379 764518841 /nfs/dbraw/zinc/51/88/41/764518841.db2.gz IGSZERFNNMMZMD-SOUVJXGZSA-N 1 1 345.871 0.352 20 30 ECEDMO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001047499379 764518846 /nfs/dbraw/zinc/51/88/46/764518846.db2.gz IGSZERFNNMMZMD-SOUVJXGZSA-N 1 1 345.871 0.352 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001047501553 764528189 /nfs/dbraw/zinc/52/81/89/764528189.db2.gz QPGADIGIOSCZEJ-HOTGVXAUSA-N 1 1 331.416 0.473 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC(=O)NCC3CC3)C2)nn1 ZINC001098766830 764578669 /nfs/dbraw/zinc/57/86/69/764578669.db2.gz HFXNFGPNXWRNMH-HNNXBMFYSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001047521964 764582482 /nfs/dbraw/zinc/58/24/82/764582482.db2.gz FPOREPXYIQJYMR-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001047528169 764600999 /nfs/dbraw/zinc/60/09/99/764600999.db2.gz LWSPRAZNTGCIPW-RLFYNMQTSA-N 1 1 339.455 0.726 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047528169 764601002 /nfs/dbraw/zinc/60/10/02/764601002.db2.gz LWSPRAZNTGCIPW-RLFYNMQTSA-N 1 1 339.455 0.726 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1CCOCC1 ZINC001089875068 764601775 /nfs/dbraw/zinc/60/17/75/764601775.db2.gz LAOCYEBDYZYRQO-MHORFTMASA-N 1 1 331.460 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001052500918 764625075 /nfs/dbraw/zinc/62/50/75/764625075.db2.gz RVWZBHKDGGDZHR-LBPRGKRZSA-N 1 1 325.390 0.145 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001077481703 764626756 /nfs/dbraw/zinc/62/67/56/764626756.db2.gz BGBCGEPAJLOTOC-VXGBXAGGSA-N 1 1 327.306 0.899 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001047537483 764627239 /nfs/dbraw/zinc/62/72/39/764627239.db2.gz LLMLGOKYBVGRDF-GJZGRUSLSA-N 1 1 348.447 0.434 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CC(=O)NC1=O ZINC001089878855 764631506 /nfs/dbraw/zinc/63/15/06/764631506.db2.gz SOLKZPIIMGMEDM-XQLPTFJDSA-N 1 1 346.431 0.283 20 30 ECEDMO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001047539256 764632317 /nfs/dbraw/zinc/63/23/17/764632317.db2.gz GKKSWWRNROOHLD-XWSJACJDSA-N 1 1 341.455 0.469 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3ccc(OC)nn32)CC1 ZINC001052505821 764640686 /nfs/dbraw/zinc/64/06/86/764640686.db2.gz QBMGYRDKWYRUOO-CYBMUJFWSA-N 1 1 327.388 0.955 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001089883550 764663300 /nfs/dbraw/zinc/66/33/00/764663300.db2.gz NSCFUXBTABUKHB-CRNXPOROSA-N 1 1 340.427 0.919 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001047549222 764664090 /nfs/dbraw/zinc/66/40/90/764664090.db2.gz OXPKJHUPSYADCC-GJZGRUSLSA-N 1 1 330.388 0.962 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CC=C(C)C)C[C@@H]2O)nn1 ZINC001047557602 764687700 /nfs/dbraw/zinc/68/77/00/764687700.db2.gz CWBCFEQVFOGBMU-HOTGVXAUSA-N 1 1 333.436 0.938 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001052525634 764691108 /nfs/dbraw/zinc/69/11/08/764691108.db2.gz NJBAKFBOYXMNBH-NSHDSACASA-N 1 1 325.390 0.145 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cccc(OC)c23)C1 ZINC001047567833 764714334 /nfs/dbraw/zinc/71/43/34/764714334.db2.gz XXSLMCUXQVNWPE-GJZGRUSLSA-N 1 1 342.399 0.483 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC(N)=O)CC1 ZINC001052543414 764721340 /nfs/dbraw/zinc/72/13/40/764721340.db2.gz DUYSHGHFFNFRGB-CQSZACIVSA-N 1 1 329.400 0.768 20 30 ECEDMO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001060409296 764762149 /nfs/dbraw/zinc/76/21/49/764762149.db2.gz YVQFQSLIBSTYCJ-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001047586515 764785478 /nfs/dbraw/zinc/78/54/78/764785478.db2.gz XWSHRSUPPVVYSH-JQFCIGGWSA-N 1 1 326.400 0.734 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001047586515 764785483 /nfs/dbraw/zinc/78/54/83/764785483.db2.gz XWSHRSUPPVVYSH-JQFCIGGWSA-N 1 1 326.400 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H]3CCN(C(C)C)C3=O)C2)nc1 ZINC001032136874 764788415 /nfs/dbraw/zinc/78/84/15/764788415.db2.gz KGIIOIRYMKGLBY-KRWDZBQOSA-N 1 1 340.427 0.734 20 30 ECEDMO Cc1cc(N(C)C[C@H](O)CN(C)C(=O)CSCC#N)nc(C)[nH+]1 ZINC001124968892 764791466 /nfs/dbraw/zinc/79/14/66/764791466.db2.gz BWPUEEDICSBPRT-ZDUSSCGKSA-N 1 1 337.449 0.606 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001089024912 764791482 /nfs/dbraw/zinc/79/14/82/764791482.db2.gz CUBBDHPJPAFAJG-RISCZKNCSA-N 1 1 330.417 0.990 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001089024912 764791494 /nfs/dbraw/zinc/79/14/94/764791494.db2.gz CUBBDHPJPAFAJG-RISCZKNCSA-N 1 1 330.417 0.990 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001052583786 764798038 /nfs/dbraw/zinc/79/80/38/764798038.db2.gz KTNMYDMDUZJUCA-ZFWWWQNUSA-N 1 1 331.420 0.912 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001052589141 764809090 /nfs/dbraw/zinc/80/90/90/764809090.db2.gz CRULEAKJFQTHES-ZDUSSCGKSA-N 1 1 327.392 0.828 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001052597729 764824919 /nfs/dbraw/zinc/82/49/19/764824919.db2.gz AHYSZVUNOGPSIR-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001047597571 764827625 /nfs/dbraw/zinc/82/76/25/764827625.db2.gz VDNQSLWOZZRAFU-KBPBESRZSA-N 1 1 345.403 0.518 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001052599529 764829792 /nfs/dbraw/zinc/82/97/92/764829792.db2.gz NNGUYTVFLFYCSN-GDBMZVCRSA-N 1 1 346.431 0.442 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001047599954 764839795 /nfs/dbraw/zinc/83/97/95/764839795.db2.gz IDNPRKYLQFFALP-IRXDYDNUSA-N 1 1 343.427 0.529 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001047599954 764839802 /nfs/dbraw/zinc/83/98/02/764839802.db2.gz IDNPRKYLQFFALP-IRXDYDNUSA-N 1 1 343.427 0.529 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001052608142 764840749 /nfs/dbraw/zinc/84/07/49/764840749.db2.gz DLDPHFQNMPGGNA-ZDUSSCGKSA-N 1 1 342.407 0.301 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001047612932 764881773 /nfs/dbraw/zinc/88/17/73/764881773.db2.gz STUQZFQGURRDER-GJZGRUSLSA-N 1 1 343.387 0.424 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)NC(=O)COC ZINC001099093072 764915719 /nfs/dbraw/zinc/91/57/19/764915719.db2.gz LTKNJANMHDGBMI-KGLIPLIRSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3[nH]cnc3C)[C@H]2C)C1=O ZINC001089080955 764992005 /nfs/dbraw/zinc/99/20/05/764992005.db2.gz UKRSHMLFHPLTSX-RDBSUJKOSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]cnc3C)[C@H]2C)C1=O ZINC001089080955 764992012 /nfs/dbraw/zinc/99/20/12/764992012.db2.gz UKRSHMLFHPLTSX-RDBSUJKOSA-N 1 1 331.420 0.698 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cscn2)C1 ZINC000991979590 765040492 /nfs/dbraw/zinc/04/04/92/765040492.db2.gz KPUPFUJYUCGXJA-PIMMBPRGSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cscn2)C1 ZINC000991979590 765040498 /nfs/dbraw/zinc/04/04/98/765040498.db2.gz KPUPFUJYUCGXJA-PIMMBPRGSA-N 1 1 346.456 0.865 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052721158 765042018 /nfs/dbraw/zinc/04/20/18/765042018.db2.gz ABROYJLCGGOFJJ-XHSDSOJGSA-N 1 1 333.436 0.840 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001052731379 765051146 /nfs/dbraw/zinc/05/11/46/765051146.db2.gz PXDPYYHRGVCBEH-HUUCEWRRSA-N 1 1 330.436 0.620 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001015612111 765061584 /nfs/dbraw/zinc/06/15/84/765061584.db2.gz RWRKMNXHIKBQHG-KGLIPLIRSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001015612111 765061588 /nfs/dbraw/zinc/06/15/88/765061588.db2.gz RWRKMNXHIKBQHG-KGLIPLIRSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccnn3C)CC2)nn1 ZINC001052774657 765096296 /nfs/dbraw/zinc/09/62/96/765096296.db2.gz FZPMPAPZLUCDBU-AWEZNQCLSA-N 1 1 343.435 0.982 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CNC(=O)N1 ZINC001015634774 765108395 /nfs/dbraw/zinc/10/83/95/765108395.db2.gz NRKDSICQTSWXBX-LSDHHAIUSA-N 1 1 346.818 0.563 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CNC(=O)N1 ZINC001015634774 765108399 /nfs/dbraw/zinc/10/83/99/765108399.db2.gz NRKDSICQTSWXBX-LSDHHAIUSA-N 1 1 346.818 0.563 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1 ZINC001052783226 765113153 /nfs/dbraw/zinc/11/31/53/765113153.db2.gz BPYRMOPWDXCIEN-GOEBONIOSA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1 ZINC001052783226 765113157 /nfs/dbraw/zinc/11/31/57/765113157.db2.gz BPYRMOPWDXCIEN-GOEBONIOSA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC001052793592 765132016 /nfs/dbraw/zinc/13/20/16/765132016.db2.gz BUWVASBNJQAHQO-AWEZNQCLSA-N 1 1 341.415 0.939 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CCC(=O)N1 ZINC001015663979 765139360 /nfs/dbraw/zinc/13/93/60/765139360.db2.gz ZOMBNPNAXLRJDE-QAPCUYQASA-N 1 1 326.400 0.917 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CCC(=O)N1 ZINC001015663979 765139364 /nfs/dbraw/zinc/13/93/64/765139364.db2.gz ZOMBNPNAXLRJDE-QAPCUYQASA-N 1 1 326.400 0.917 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001015671917 765146452 /nfs/dbraw/zinc/14/64/52/765146452.db2.gz IBQPJQUQPSBYHI-ZDUSSCGKSA-N 1 1 348.447 0.864 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001015671917 765146454 /nfs/dbraw/zinc/14/64/54/765146454.db2.gz IBQPJQUQPSBYHI-ZDUSSCGKSA-N 1 1 348.447 0.864 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)[nH]1 ZINC000992013628 765159066 /nfs/dbraw/zinc/15/90/66/765159066.db2.gz WUCCDPZZCKEWII-GDBMZVCRSA-N 1 1 341.415 0.844 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001052812682 765166351 /nfs/dbraw/zinc/16/63/51/765166351.db2.gz ALPRPXWULZFDNQ-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001052820807 765180223 /nfs/dbraw/zinc/18/02/23/765180223.db2.gz BNPQRRDXJZNGPW-MGPQQGTHSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001052821140 765180986 /nfs/dbraw/zinc/18/09/86/765180986.db2.gz IEWBDIPQIDTJFL-UMVBOHGHSA-N 1 1 328.420 0.631 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3ncc[nH]3)CC2)C1=O ZINC001052823722 765184528 /nfs/dbraw/zinc/18/45/28/765184528.db2.gz MPYCPGUUHWIOCJ-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001052841573 765211833 /nfs/dbraw/zinc/21/18/33/765211833.db2.gz NXBWYDAOHZPYLX-GDBMZVCRSA-N 1 1 348.447 0.995 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC001052849100 765222559 /nfs/dbraw/zinc/22/25/59/765222559.db2.gz MDMFVKMLTUFKBC-HNNXBMFYSA-N 1 1 345.447 0.375 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCN2CCCC2=O)C1 ZINC001015726445 765242251 /nfs/dbraw/zinc/24/22/51/765242251.db2.gz NCOPOZGXQPYBJU-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](CC)C(N)=O)CC2)nc1 ZINC001052873092 765269946 /nfs/dbraw/zinc/26/99/46/765269946.db2.gz ACQQRTPYPAAWKN-GOEBONIOSA-N 1 1 328.416 0.911 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000992071952 765370575 /nfs/dbraw/zinc/37/05/75/765370575.db2.gz AUNOKXAWSKKUJI-PMPSAXMXSA-N 1 1 335.448 0.779 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C2)c1 ZINC001015838405 765415500 /nfs/dbraw/zinc/41/55/00/765415500.db2.gz NMUOZAGSLAVCAG-HNNXBMFYSA-N 1 1 340.383 0.302 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3ccnc3)CC2)C1=O ZINC001052970855 765433039 /nfs/dbraw/zinc/43/30/39/765433039.db2.gz ZVKPMSMYQMDWFO-JKSUJKDBSA-N 1 1 345.447 0.641 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H](CNC(=O)CSCC#N)C1 ZINC001052986270 765462077 /nfs/dbraw/zinc/46/20/77/765462077.db2.gz FKLMKZMIYMFQAI-GXTWGEPZSA-N 1 1 349.460 0.659 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001052988441 765465997 /nfs/dbraw/zinc/46/59/97/765465997.db2.gz UYCVKVWBESTMAX-ZBFHGGJFSA-N 1 1 346.431 0.442 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC001053007932 765481034 /nfs/dbraw/zinc/48/10/34/765481034.db2.gz OJLDLMKLQUKPHD-JKSUJKDBSA-N 1 1 330.436 0.647 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 ZINC000992107176 765508564 /nfs/dbraw/zinc/50/85/64/765508564.db2.gz JHMCLBVKHVUKPR-MAUKXSAKSA-N 1 1 334.464 0.498 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(CC)nn3C)C2)C1=O ZINC001015897308 765511444 /nfs/dbraw/zinc/51/14/44/765511444.db2.gz LFTVHNYIEDUDDG-LSDHHAIUSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(CC)nn3C)C2)C1=O ZINC001015897308 765511451 /nfs/dbraw/zinc/51/14/51/765511451.db2.gz LFTVHNYIEDUDDG-LSDHHAIUSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001053036308 765511830 /nfs/dbraw/zinc/51/18/30/765511830.db2.gz JZLYESQIEXWRPG-IAGOWNOFSA-N 1 1 348.491 0.555 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001053047714 765525296 /nfs/dbraw/zinc/52/52/96/765525296.db2.gz RNQDNSUIJUGBIL-LSDHHAIUSA-N 1 1 346.431 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001053052338 765529062 /nfs/dbraw/zinc/52/90/62/765529062.db2.gz UYSVLCHWNDBQDA-JKSUJKDBSA-N 1 1 345.443 0.719 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1C#N ZINC001106092275 765580437 /nfs/dbraw/zinc/58/04/37/765580437.db2.gz AYENTHYBXSYDBC-NOLJZWGESA-N 1 1 345.447 0.881 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001015968569 765637641 /nfs/dbraw/zinc/63/76/41/765637641.db2.gz DBFOTIJHUXLXJO-CQSZACIVSA-N 1 1 342.403 0.742 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001015968569 765637643 /nfs/dbraw/zinc/63/76/43/765637643.db2.gz DBFOTIJHUXLXJO-CQSZACIVSA-N 1 1 342.403 0.742 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001016021278 765726168 /nfs/dbraw/zinc/72/61/68/765726168.db2.gz XVGYUECNBKKABK-GJZGRUSLSA-N 1 1 329.400 0.934 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCOC3(C[NH+](CC4CCOCC4)C3)C2)c1 ZINC001053211274 765769179 /nfs/dbraw/zinc/76/91/79/765769179.db2.gz WDOCHARTEFECHN-UHFFFAOYSA-N 1 1 344.415 0.840 20 30 ECEDMO COCC#CC[NH+]1CCC2(CC1)CN(C(=O)c1ccn[nH]1)C[C@@H](C)O2 ZINC001111534622 768330269 /nfs/dbraw/zinc/33/02/69/768330269.db2.gz BNROJAMEQNNFBJ-OAHLLOKOSA-N 1 1 346.431 0.755 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)[C@H]2CCOC2)C1 ZINC000992206060 765890582 /nfs/dbraw/zinc/89/05/82/765890582.db2.gz HIXAZNUFHWQFLK-GRAKBVBRSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)[C@H]2CCOC2)C1 ZINC000992206060 765890588 /nfs/dbraw/zinc/89/05/88/765890588.db2.gz HIXAZNUFHWQFLK-GRAKBVBRSA-N 1 1 333.432 0.132 20 30 ECEDMO COCC#CC[NH+]1CCC2(CC1)CN(C(=O)c1ccn[nH]1)C[C@H](C)O2 ZINC001111534621 768330402 /nfs/dbraw/zinc/33/04/02/768330402.db2.gz BNROJAMEQNNFBJ-HNNXBMFYSA-N 1 1 346.431 0.755 20 30 ECEDMO N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CCO2 ZINC001053286552 765908462 /nfs/dbraw/zinc/90/84/62/765908462.db2.gz DALXGGGYODORII-INIZCTEOSA-N 1 1 332.448 0.830 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001077506792 765952038 /nfs/dbraw/zinc/95/20/38/765952038.db2.gz KTQLUJOBRKACTF-ZIAGYGMSSA-N 1 1 334.424 0.070 20 30 ECEDMO CCN1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304922 766080569 /nfs/dbraw/zinc/08/05/69/766080569.db2.gz ISODZJDOLVWICE-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C2)cc1 ZINC001016357539 766181457 /nfs/dbraw/zinc/18/14/57/766181457.db2.gz SLKMHPNCJNCBAJ-OAHLLOKOSA-N 1 1 331.416 0.730 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C2)cc1 ZINC001016357539 766181459 /nfs/dbraw/zinc/18/14/59/766181459.db2.gz SLKMHPNCJNCBAJ-OAHLLOKOSA-N 1 1 331.416 0.730 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)cc1 ZINC001016357537 766181477 /nfs/dbraw/zinc/18/14/77/766181477.db2.gz SLKMHPNCJNCBAJ-HNNXBMFYSA-N 1 1 331.416 0.730 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)cc1 ZINC001016357537 766181479 /nfs/dbraw/zinc/18/14/79/766181479.db2.gz SLKMHPNCJNCBAJ-HNNXBMFYSA-N 1 1 331.416 0.730 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCCN2C(=O)c2cnon2)C1=O ZINC001089244423 766208405 /nfs/dbraw/zinc/20/84/05/766208405.db2.gz MFBGGQSWNAJVCS-DZGCQCFKSA-N 1 1 347.419 0.783 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C(=O)N1CC[C@H](C)C1)CCO2 ZINC001053502443 766245530 /nfs/dbraw/zinc/24/55/30/766245530.db2.gz VIOHLIRLOKDLCD-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016429372 766284394 /nfs/dbraw/zinc/28/43/94/766284394.db2.gz GNISARMVUMGECJ-JKSUJKDBSA-N 1 1 339.395 0.281 20 30 ECEDMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016429372 766284399 /nfs/dbraw/zinc/28/43/99/766284399.db2.gz GNISARMVUMGECJ-JKSUJKDBSA-N 1 1 339.395 0.281 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001045772337 766350373 /nfs/dbraw/zinc/35/03/73/766350373.db2.gz BQLBYEYHFKLIRR-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001045775715 766354249 /nfs/dbraw/zinc/35/42/49/766354249.db2.gz QHNYAKHMNUEINA-CABCVRRESA-N 1 1 344.415 0.017 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001045777845 766358825 /nfs/dbraw/zinc/35/88/25/766358825.db2.gz PFDQESPCJCGCJG-WMLDXEAASA-N 1 1 337.464 0.620 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001045778160 766359738 /nfs/dbraw/zinc/35/97/38/766359738.db2.gz UKWSZWHRCHWDIX-GDBMZVCRSA-N 1 1 349.475 0.763 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001045784436 766366658 /nfs/dbraw/zinc/36/66/58/766366658.db2.gz BKNUBGFVMIMZHH-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO COC[C@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)O2 ZINC001053590255 766384126 /nfs/dbraw/zinc/38/41/26/766384126.db2.gz CYGVZIKIMYAAIU-GXTWGEPZSA-N 1 1 332.404 0.884 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251085 766422728 /nfs/dbraw/zinc/42/27/28/766422728.db2.gz PHEMSRRHIZDDAG-GVDBMIGSSA-N 1 1 336.432 0.411 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251085 766422733 /nfs/dbraw/zinc/42/27/33/766422733.db2.gz PHEMSRRHIZDDAG-GVDBMIGSSA-N 1 1 336.432 0.411 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn3ncccc13)O2 ZINC001053611229 766431502 /nfs/dbraw/zinc/43/15/02/766431502.db2.gz NGQAPCWZLFOLJI-AWEZNQCLSA-N 1 1 339.399 0.716 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@@H]12 ZINC000992377897 766433419 /nfs/dbraw/zinc/43/34/19/766433419.db2.gz IXBTXQSNQKOALW-SJKOYZFVSA-N 1 1 332.404 0.063 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@H]12 ZINC000992380249 766434785 /nfs/dbraw/zinc/43/47/85/766434785.db2.gz MBPIAOYJQOEJHE-SJCJKPOMSA-N 1 1 334.420 0.616 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cccn4c(=O)[nH]nc34)CCC[C@H]12 ZINC000992395449 766468351 /nfs/dbraw/zinc/46/83/51/766468351.db2.gz IRZIPDGFHLCUKM-SUMWQHHRSA-N 1 1 325.372 0.795 20 30 ECEDMO C=CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)O2 ZINC001053638991 766494903 /nfs/dbraw/zinc/49/49/03/766494903.db2.gz FTUWOQHKSMVHSZ-GARNVTTQSA-N 1 1 347.459 0.385 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001045943767 766514164 /nfs/dbraw/zinc/51/41/64/766514164.db2.gz OMAOOIKVBHGRJS-SUMWQHHRSA-N 1 1 334.420 0.475 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNc1ccc(C#N)nn1 ZINC001053653719 766517833 /nfs/dbraw/zinc/51/78/33/766517833.db2.gz WBAJXVAYNLEEJT-NFAWXSAZSA-N 1 1 328.420 0.949 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNc1cncc(C#N)n1 ZINC001053653449 766517884 /nfs/dbraw/zinc/51/78/84/766517884.db2.gz LWGSRRSBNHYFCS-UMVBOHGHSA-N 1 1 328.420 0.949 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cn([C@H]4CCOC4)nn3)CCC[C@@H]12 ZINC000992412820 766518268 /nfs/dbraw/zinc/51/82/68/766518268.db2.gz CHHDVAOOQSHTFG-YXJHDRRASA-N 1 1 343.431 0.990 20 30 ECEDMO Cn1cc(C[NH+]2CCC3(C[C@H]3NC(=O)c3ccc(C#N)[nH]3)CC2)nn1 ZINC001016576496 766525391 /nfs/dbraw/zinc/52/53/91/766525391.db2.gz PJNWDHSBHMAMMM-OAHLLOKOSA-N 1 1 339.403 0.799 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cccn4nnnc34)C2)cc1 ZINC001031697463 766541078 /nfs/dbraw/zinc/54/10/78/766541078.db2.gz QNTPGSXLORDINA-UHFFFAOYSA-N 1 1 347.382 0.858 20 30 ECEDMO Cn1nncc1C[NH+]1CCC2(C[C@H]2NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001016588877 766549363 /nfs/dbraw/zinc/54/93/63/766549363.db2.gz SPHSXYDDJYBMPW-OAHLLOKOSA-N 1 1 339.403 0.799 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001045984769 766555917 /nfs/dbraw/zinc/55/59/17/766555917.db2.gz IGUJZEGULJRRKJ-RDJZCZTQSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001045984769 766555922 /nfs/dbraw/zinc/55/59/22/766555922.db2.gz IGUJZEGULJRRKJ-RDJZCZTQSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001045985675 766557269 /nfs/dbraw/zinc/55/72/69/766557269.db2.gz ZRVJJVLEGLNZHX-HKUYNNGSSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@H]12 ZINC000992436790 766566035 /nfs/dbraw/zinc/56/60/35/766566035.db2.gz XGBKKGIBQVFJFM-SUMWQHHRSA-N 1 1 342.403 0.721 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC001046001046 766602394 /nfs/dbraw/zinc/60/23/94/766602394.db2.gz CQZCJBQHZYTNTG-MRXNPFEDSA-N 1 1 334.464 0.403 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@@H]2O)C1 ZINC001083762151 766615216 /nfs/dbraw/zinc/61/52/16/766615216.db2.gz DFBHQSJKRHFUAR-CVEARBPZSA-N 1 1 332.448 0.963 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc(C)cn3)CC2)C1 ZINC001046006521 766616047 /nfs/dbraw/zinc/61/60/47/766616047.db2.gz NPQQORIKZVEAFD-QGZVFWFLSA-N 1 1 331.464 0.986 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](CCc3cnn(C)c3)C2)CC1 ZINC001046012120 766638282 /nfs/dbraw/zinc/63/82/82/766638282.db2.gz LTXOBQDOCAZHDH-NVXWUHKLSA-N 1 1 344.463 0.341 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CCN(C(N)=O)CC3)CCC[C@@H]12 ZINC000992467754 766644758 /nfs/dbraw/zinc/64/47/58/766644758.db2.gz VQNGBOZXVCHGDY-QAPCUYQASA-N 1 1 332.448 0.914 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3COCCN3C)CC2)C1 ZINC001046019826 766661378 /nfs/dbraw/zinc/66/13/78/766661378.db2.gz LAUSAOWPZZRDEC-DLBZAZTESA-N 1 1 336.480 0.112 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@](C)(O)C3CC3)CC2)C1 ZINC001046021137 766664730 /nfs/dbraw/zinc/66/47/30/766664730.db2.gz BCNRDEPBGHDNLZ-PKOBYXMFSA-N 1 1 333.476 0.779 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccnn3C)CC2)C1 ZINC001046022123 766668719 /nfs/dbraw/zinc/66/87/19/766668719.db2.gz LPNOVJWMIYGVSY-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1OC ZINC001212262152 766671566 /nfs/dbraw/zinc/67/15/66/766671566.db2.gz DUFSXZKNFJEGET-HUUCEWRRSA-N 1 1 337.445 0.541 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1OC ZINC001212262152 766671570 /nfs/dbraw/zinc/67/15/70/766671570.db2.gz DUFSXZKNFJEGET-HUUCEWRRSA-N 1 1 337.445 0.541 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccsn2)C1 ZINC001016656979 766680442 /nfs/dbraw/zinc/68/04/42/766680442.db2.gz GYXPWOBEKOGGAS-PIMMBPRGSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccsn2)C1 ZINC001016656979 766680446 /nfs/dbraw/zinc/68/04/46/766680446.db2.gz GYXPWOBEKOGGAS-PIMMBPRGSA-N 1 1 346.456 0.960 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC001046027575 766686863 /nfs/dbraw/zinc/68/68/63/766686863.db2.gz QBOFFEPRKRXBSV-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1OC ZINC001212262490 766688663 /nfs/dbraw/zinc/68/86/63/766688663.db2.gz PWRGRXHNYXEPMJ-IAGOWNOFSA-N 1 1 331.416 0.745 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1OC ZINC001212262490 766688667 /nfs/dbraw/zinc/68/86/67/766688667.db2.gz PWRGRXHNYXEPMJ-IAGOWNOFSA-N 1 1 331.416 0.745 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncoc2C2CC2)C1 ZINC000994750030 766694150 /nfs/dbraw/zinc/69/41/50/766694150.db2.gz FWXHUCVYCRQUNA-AWEZNQCLSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncoc2C2CC2)C1 ZINC000994750030 766694160 /nfs/dbraw/zinc/69/41/60/766694160.db2.gz FWXHUCVYCRQUNA-AWEZNQCLSA-N 1 1 342.399 0.590 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@@H]12 ZINC000992488603 766694174 /nfs/dbraw/zinc/69/41/74/766694174.db2.gz APHSEXHHQLFPIP-IIAWOOMASA-N 1 1 341.477 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cncs2)C1 ZINC001016669895 766697808 /nfs/dbraw/zinc/69/78/08/766697808.db2.gz FPBUKOMAWYMUGZ-RUXDESIVSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cncs2)C1 ZINC001016669895 766697812 /nfs/dbraw/zinc/69/78/12/766697812.db2.gz FPBUKOMAWYMUGZ-RUXDESIVSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(N(C)C)cn3)CC2)C1 ZINC001046030463 766698612 /nfs/dbraw/zinc/69/86/12/766698612.db2.gz RUQQEJZIVKJLQQ-OAHLLOKOSA-N 1 1 342.447 0.008 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC001016670392 766698994 /nfs/dbraw/zinc/69/89/94/766698994.db2.gz NAFRYKQCMWLFII-NRXISQOPSA-N 1 1 343.431 0.155 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC001016670392 766698998 /nfs/dbraw/zinc/69/89/98/766698998.db2.gz NAFRYKQCMWLFII-NRXISQOPSA-N 1 1 343.431 0.155 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2cnoc2)C1 ZINC001016670966 766699986 /nfs/dbraw/zinc/69/99/86/766699986.db2.gz XSOBBQKNRIKNMZ-GPANFISMSA-N 1 1 344.415 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2cnoc2)C1 ZINC001016670966 766699988 /nfs/dbraw/zinc/69/99/88/766699988.db2.gz XSOBBQKNRIKNMZ-GPANFISMSA-N 1 1 344.415 0.420 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000994751891 766700357 /nfs/dbraw/zinc/70/03/57/766700357.db2.gz NXRFHECCYSXGEJ-AVGNSLFASA-N 1 1 325.359 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000994751891 766700365 /nfs/dbraw/zinc/70/03/65/766700365.db2.gz NXRFHECCYSXGEJ-AVGNSLFASA-N 1 1 325.359 0.312 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)c3ccnn3C)CC2)C1 ZINC001046031611 766701122 /nfs/dbraw/zinc/70/11/22/766701122.db2.gz RPHZKNCFJXCNHZ-HZPDHXFCSA-N 1 1 329.448 0.375 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046032632 766705541 /nfs/dbraw/zinc/70/55/41/766705541.db2.gz GUFQBTCNWYRZDA-MRXNPFEDSA-N 1 1 332.452 0.463 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033566 766710135 /nfs/dbraw/zinc/71/01/35/766710135.db2.gz HZSXBESOUGWQAM-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC001046033835 766711371 /nfs/dbraw/zinc/71/13/71/766711371.db2.gz MFUNQTAFGKPXJM-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(C)nc3OC)CC2)C1 ZINC001046035035 766718030 /nfs/dbraw/zinc/71/80/30/766718030.db2.gz BQMGKCKBEZTXCR-OAHLLOKOSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cncc(C(N)=O)c3)CCC[C@H]12 ZINC000992499609 766720569 /nfs/dbraw/zinc/72/05/69/766720569.db2.gz NMVHRGASEBVJSH-MAUKXSAKSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cc3nc(C4CC4)nn3C)CCC[C@@H]12 ZINC000992501378 766725105 /nfs/dbraw/zinc/72/51/05/766725105.db2.gz YDCDUEIWRNTDHY-RDTXWAMCSA-N 1 1 327.432 0.981 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001046036177 766725238 /nfs/dbraw/zinc/72/52/38/766725238.db2.gz CARUWJSOUGQYOK-SJORKVTESA-N 1 1 336.455 0.272 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1 ZINC001046036204 766726170 /nfs/dbraw/zinc/72/61/70/766726170.db2.gz COQQIQFVSREDFF-ARFHVFGLSA-N 1 1 327.432 0.365 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046036204 766726174 /nfs/dbraw/zinc/72/61/74/766726174.db2.gz COQQIQFVSREDFF-ARFHVFGLSA-N 1 1 327.432 0.365 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046036204 766726178 /nfs/dbraw/zinc/72/61/78/766726178.db2.gz COQQIQFVSREDFF-ARFHVFGLSA-N 1 1 327.432 0.365 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 ZINC001046037571 766733629 /nfs/dbraw/zinc/73/36/29/766733629.db2.gz SSRKJPBBECZZHO-IAGOWNOFSA-N 1 1 348.491 0.697 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(=O)n(C)cn3)CC2)C1 ZINC001046037369 766733896 /nfs/dbraw/zinc/73/38/96/766733896.db2.gz XWWGEHVKZWOORS-OAHLLOKOSA-N 1 1 345.447 0.189 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046037480 766734167 /nfs/dbraw/zinc/73/41/67/766734167.db2.gz QFFIDQSTFAGWRP-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccn4nccc34)CC2)C1 ZINC001046040662 766748037 /nfs/dbraw/zinc/74/80/37/766748037.db2.gz GQSXETOIJZQJJJ-MRXNPFEDSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)C1 ZINC001046041660 766754126 /nfs/dbraw/zinc/75/41/26/766754126.db2.gz LSCDFZPVZRXTEB-PKOBYXMFSA-N 1 1 339.439 0.842 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC001046042211 766755243 /nfs/dbraw/zinc/75/52/43/766755243.db2.gz XNVRBJIBRUHGKT-KRWDZBQOSA-N 1 1 347.438 0.708 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccnnc3C)CC2)C1 ZINC001046042487 766756594 /nfs/dbraw/zinc/75/65/94/766756594.db2.gz WHJWZOUMTRVJNR-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2C)C1 ZINC001041999074 782577640 /nfs/dbraw/zinc/57/76/40/782577640.db2.gz RJKVSKBXTQLMEO-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2C)C1 ZINC001041999074 782577645 /nfs/dbraw/zinc/57/76/45/782577645.db2.gz RJKVSKBXTQLMEO-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCNC3=O)CC2)C1 ZINC001046043135 766758801 /nfs/dbraw/zinc/75/88/01/766758801.db2.gz WMJLJZAXHBYWKQ-INIZCTEOSA-N 1 1 349.479 0.196 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3CC)CC2)C1 ZINC001046042974 766759384 /nfs/dbraw/zinc/75/93/84/766759384.db2.gz QHWQVVHSKANJMX-OAHLLOKOSA-N 1 1 329.448 0.448 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccnc4n[nH]nc43)CC2)C1 ZINC001046044239 766766062 /nfs/dbraw/zinc/76/60/62/766766062.db2.gz KYRZGFRMJOWFBH-ZDUSSCGKSA-N 1 1 341.419 0.371 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4nccn4c3)CC2)C1 ZINC001046044396 766766269 /nfs/dbraw/zinc/76/62/69/766766269.db2.gz VYGIEAYMRJFRFA-MRXNPFEDSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncc(OC)cn3)CC2)C1 ZINC001046044622 766767809 /nfs/dbraw/zinc/76/78/09/766767809.db2.gz MYIJTXRCMMKUIB-HNNXBMFYSA-N 1 1 345.447 0.893 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046045279 766770572 /nfs/dbraw/zinc/77/05/72/766770572.db2.gz VSKYTFMLHCFRMU-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3nc(C)cc3C)CC2)C1 ZINC001046045373 766770605 /nfs/dbraw/zinc/77/06/05/766770605.db2.gz XITJWINHFVXPAR-GOSISDBHSA-N 1 1 343.475 0.742 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4nnnn4c3)CC2)C1 ZINC001046045538 766771924 /nfs/dbraw/zinc/77/19/24/766771924.db2.gz ZFLJAJMHDUSKPP-OAHLLOKOSA-N 1 1 341.419 0.142 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046050323 766787457 /nfs/dbraw/zinc/78/74/57/766787457.db2.gz KKTSTAFMAHAZMZ-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](CCn4cncn4)[C@@H]3C2)c1 ZINC001042001271 782583179 /nfs/dbraw/zinc/58/31/79/782583179.db2.gz VFUQDPRQMMVXGZ-GOEBONIOSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)CC2)C1 ZINC001046054653 766801967 /nfs/dbraw/zinc/80/19/67/766801967.db2.gz BKJWWMCQYIQFGE-SJORKVTESA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccc(=O)[nH]c3)CC2)C1 ZINC001046055908 766807244 /nfs/dbraw/zinc/80/72/44/766807244.db2.gz KEQYNSPNPIOKJO-QGZVFWFLSA-N 1 1 342.443 0.572 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC001046057351 766815765 /nfs/dbraw/zinc/81/57/65/766815765.db2.gz YPSVBYUDJRFETF-AWEZNQCLSA-N 1 1 331.420 0.509 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC001046058606 766818514 /nfs/dbraw/zinc/81/85/14/766818514.db2.gz OBDRHLWQSHLAMI-HNNXBMFYSA-N 1 1 333.436 0.203 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 ZINC001046061344 766830284 /nfs/dbraw/zinc/83/02/84/766830284.db2.gz MISMXWSXROCXDO-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C(N)=O)n3)CCC[C@@H]12 ZINC000992545682 766832078 /nfs/dbraw/zinc/83/20/78/766832078.db2.gz HRJUERVODNPWFA-QAPCUYQASA-N 1 1 326.400 0.931 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(OC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000994790755 766834150 /nfs/dbraw/zinc/83/41/50/766834150.db2.gz BERPNSGCKLQJHP-CJNGLKHVSA-N 1 1 348.447 0.459 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001046063115 766837921 /nfs/dbraw/zinc/83/79/21/766837921.db2.gz MEORBPZCWFPAIR-IKGGRYGDSA-N 1 1 346.475 0.130 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H](C)n3ccnc3)CC2)C1 ZINC001046065538 766849608 /nfs/dbraw/zinc/84/96/08/766849608.db2.gz APGRHVDYVHMWQB-DLBZAZTESA-N 1 1 329.448 0.686 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc4cccnn43)CC2)C1 ZINC001046068274 766860791 /nfs/dbraw/zinc/86/07/91/766860791.db2.gz IBIGGZIHRLEQPR-KRWDZBQOSA-N 1 1 337.427 0.800 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3nccc3C)CC2)C1 ZINC001046069157 766866834 /nfs/dbraw/zinc/86/68/34/766866834.db2.gz BOYIUDLHTHNGFA-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H](C)n3cccn3)CC2)C1 ZINC001046075414 766895831 /nfs/dbraw/zinc/89/58/31/766895831.db2.gz SJQYQZRZABIKNQ-DLBZAZTESA-N 1 1 329.448 0.686 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Oc3ccccn3)CC2)C1 ZINC001046075943 766898561 /nfs/dbraw/zinc/89/85/61/766898561.db2.gz ITEAMJNCQTYFIC-IAGOWNOFSA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnccc3N(C)C)CC2)C1 ZINC001046076154 766901161 /nfs/dbraw/zinc/90/11/61/766901161.db2.gz JORUWIPQPXTGAJ-INIZCTEOSA-N 1 1 341.459 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnccc3N(C)C)CC2)C1 ZINC001046076154 766901167 /nfs/dbraw/zinc/90/11/67/766901167.db2.gz JORUWIPQPXTGAJ-INIZCTEOSA-N 1 1 341.459 0.613 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cc(C(N)=O)ccn3)CCC[C@H]12 ZINC000992567044 766901730 /nfs/dbraw/zinc/90/17/30/766901730.db2.gz CIWSMRLPJSZVOV-YJBOKZPZSA-N 1 1 326.400 0.931 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC001046076223 766902360 /nfs/dbraw/zinc/90/23/60/766902360.db2.gz KSXCXTOVYZUHDP-INIZCTEOSA-N 1 1 329.448 0.204 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](CCOC)C3)CC2)nc1 ZINC001046078159 766910959 /nfs/dbraw/zinc/91/09/59/766910959.db2.gz UADUFRXAPCAJDU-KRWDZBQOSA-N 1 1 342.443 0.541 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)COc3ccccc3)CC2)C1 ZINC001046079956 766914616 /nfs/dbraw/zinc/91/46/16/766914616.db2.gz IDBHPRZEBWMQNU-QGZVFWFLSA-N 1 1 327.428 0.917 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC001046080683 766917828 /nfs/dbraw/zinc/91/78/28/766917828.db2.gz JNEGNMULYQUNMY-GOSISDBHSA-N 1 1 343.475 0.595 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C(N)=O)ccn3)CCC[C@@H]12 ZINC000992573423 766918211 /nfs/dbraw/zinc/91/82/11/766918211.db2.gz NDROYQZGSOLORK-QAPCUYQASA-N 1 1 326.400 0.931 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cc(C(N)=O)ccn3)CCC[C@@H]12 ZINC000992573414 766918293 /nfs/dbraw/zinc/91/82/93/766918293.db2.gz NDROYQZGSOLORK-CRAIPNDOSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC001046081719 766919982 /nfs/dbraw/zinc/91/99/82/766919982.db2.gz KBESBLKCWOOFQX-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C=C(Cl)CN1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081660 766920156 /nfs/dbraw/zinc/92/01/56/766920156.db2.gz HSRAJHRRJDHBDO-HOTGVXAUSA-N 1 1 340.899 0.909 20 30 ECEDMO C=C(Cl)CN1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081662 766920296 /nfs/dbraw/zinc/92/02/96/766920296.db2.gz HSRAJHRRJDHBDO-JKSUJKDBSA-N 1 1 340.899 0.909 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C1 ZINC001046081918 766920756 /nfs/dbraw/zinc/92/07/56/766920756.db2.gz LWCKWCCSUMQYHH-OAHLLOKOSA-N 1 1 338.415 0.423 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC001046090110 766932211 /nfs/dbraw/zinc/93/22/11/766932211.db2.gz OBWCITMICOUZPV-HNNXBMFYSA-N 1 1 332.452 0.625 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CCC1 ZINC001046119972 766948614 /nfs/dbraw/zinc/94/86/14/766948614.db2.gz ONOQOVXKXURPMW-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C3CCC3)C2)CCC1 ZINC001046126420 766958004 /nfs/dbraw/zinc/95/80/04/766958004.db2.gz GGNVYIUCVPZICO-UHFFFAOYSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001089667457 766964440 /nfs/dbraw/zinc/96/44/40/766964440.db2.gz HZUSUMJBYHCOQO-CQSZACIVSA-N 1 1 326.404 0.978 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001078266888 782592285 /nfs/dbraw/zinc/59/22/85/782592285.db2.gz JBYDUZKSNXDCMO-NUEKZKHPSA-N 1 1 327.384 0.297 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001078266888 782592291 /nfs/dbraw/zinc/59/22/91/782592291.db2.gz JBYDUZKSNXDCMO-NUEKZKHPSA-N 1 1 327.384 0.297 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001046157193 766989712 /nfs/dbraw/zinc/98/97/12/766989712.db2.gz VMBJKUFAOOHTHZ-CRAIPNDOSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001046157193 766989717 /nfs/dbraw/zinc/98/97/17/766989717.db2.gz VMBJKUFAOOHTHZ-CRAIPNDOSA-N 1 1 345.447 0.953 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CCN1C1CC1 ZINC000914099355 767005423 /nfs/dbraw/zinc/00/54/23/767005423.db2.gz ZSTQVBQMIPIASL-HOTGVXAUSA-N 1 1 338.477 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H]2CCN(C(C)C)C2=O)C1 ZINC001031742797 767006212 /nfs/dbraw/zinc/00/62/12/767006212.db2.gz RLYOJEVKTYSWGN-IRXDYDNUSA-N 1 1 346.475 0.141 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H]2CCN(C(C)C)C2=O)C1 ZINC001031742797 767006225 /nfs/dbraw/zinc/00/62/25/767006225.db2.gz RLYOJEVKTYSWGN-IRXDYDNUSA-N 1 1 346.475 0.141 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC001031742797 767006237 /nfs/dbraw/zinc/00/62/37/767006237.db2.gz RLYOJEVKTYSWGN-IRXDYDNUSA-N 1 1 346.475 0.141 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001046169097 767010802 /nfs/dbraw/zinc/01/08/02/767010802.db2.gz LKBUMHSNJZHXQB-PBHICJAKSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001046169097 767010812 /nfs/dbraw/zinc/01/08/12/767010812.db2.gz LKBUMHSNJZHXQB-PBHICJAKSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001016833778 767015299 /nfs/dbraw/zinc/01/52/99/767015299.db2.gz CBDZRSOMCGNOOJ-SJJHQCBESA-N 1 1 346.475 0.284 20 30 ECEDMO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1OC ZINC001212275150 767051136 /nfs/dbraw/zinc/05/11/36/767051136.db2.gz DUKXOIVTCPNVRI-ARFHVFGLSA-N 1 1 328.453 0.946 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)c1 ZINC001083765509 767067441 /nfs/dbraw/zinc/06/74/41/767067441.db2.gz HTYDKEXNUJUSOA-ZACQAIPSSA-N 1 1 343.427 0.653 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001046222528 767091480 /nfs/dbraw/zinc/09/14/80/767091480.db2.gz BLARWJWMXYLILH-QGZVFWFLSA-N 1 1 341.419 0.989 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cccnn2)C1 ZINC000938756088 767106859 /nfs/dbraw/zinc/10/68/59/767106859.db2.gz HFYSWUNRFAIMLU-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cccnn2)C1 ZINC000938756088 767106861 /nfs/dbraw/zinc/10/68/61/767106861.db2.gz HFYSWUNRFAIMLU-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046252679 767110902 /nfs/dbraw/zinc/11/09/02/767110902.db2.gz GMHZAUWGSXVELF-MRXNPFEDSA-N 1 1 330.392 0.106 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001089734789 767136690 /nfs/dbraw/zinc/13/66/90/767136690.db2.gz XOTDMKDTMKWQII-AWEZNQCLSA-N 1 1 332.448 0.968 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001089765670 767148082 /nfs/dbraw/zinc/14/80/82/767148082.db2.gz IAPJKJNVSQQNEX-YXWQFLTLSA-N 1 1 326.400 0.988 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cnnn2)C1 ZINC001089770838 767154063 /nfs/dbraw/zinc/15/40/63/767154063.db2.gz UXPPJYGTRBRPMN-XUXIUFHCSA-N 1 1 336.827 0.594 20 30 ECEDMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001089790213 767186392 /nfs/dbraw/zinc/18/63/92/767186392.db2.gz QUMYZHVFLVGRQC-YXWQFLTLSA-N 1 1 341.415 0.415 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001046387875 767188181 /nfs/dbraw/zinc/18/81/81/767188181.db2.gz PEGKMZDOSKMRCZ-MELADBBJSA-N 1 1 328.420 0.915 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001078283568 782611396 /nfs/dbraw/zinc/61/13/96/782611396.db2.gz CGEULUUPRFCVAQ-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001078283568 782611401 /nfs/dbraw/zinc/61/14/01/782611401.db2.gz CGEULUUPRFCVAQ-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046425637 767212125 /nfs/dbraw/zinc/21/21/25/767212125.db2.gz KAMSAHMBNWDNLT-CQSZACIVSA-N 1 1 325.390 0.145 20 30 ECEDMO Cn1nnnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805103 767233046 /nfs/dbraw/zinc/23/30/46/767233046.db2.gz AGZMFDPZTQREPP-JJXSEGSLSA-N 1 1 340.431 0.292 20 30 ECEDMO Cn1nnnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805103 767233048 /nfs/dbraw/zinc/23/30/48/767233048.db2.gz AGZMFDPZTQREPP-JJXSEGSLSA-N 1 1 340.431 0.292 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC(=O)NC3)C2)s1 ZINC001031805043 767246330 /nfs/dbraw/zinc/24/63/30/767246330.db2.gz RNBNHHFBOBEFKL-GFCCVEGCSA-N 1 1 332.429 0.694 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c[nH]nc3C(C)C)C2)C1=O ZINC001031807372 767250379 /nfs/dbraw/zinc/25/03/79/767250379.db2.gz JYEUUSHAEHIHQT-HNNXBMFYSA-N 1 1 345.447 0.982 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(OC)ncn2)C1 ZINC001089816440 767287368 /nfs/dbraw/zinc/28/73/68/767287368.db2.gz OIJLQJAABIBVCK-YXWQFLTLSA-N 1 1 326.400 0.901 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046538497 767289152 /nfs/dbraw/zinc/28/91/52/767289152.db2.gz KEJSVNCVDWCCTR-CRAIPNDOSA-N 1 1 326.400 0.775 20 30 ECEDMO CN1C[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001046542397 767293002 /nfs/dbraw/zinc/29/30/02/767293002.db2.gz IYDHMVDTNOJRCH-CRAIPNDOSA-N 1 1 341.415 0.662 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089820163 767312096 /nfs/dbraw/zinc/31/20/96/767312096.db2.gz LJINRPKUJOEBSP-NXOAAHMSSA-N 1 1 345.443 0.037 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccnn1CCOC ZINC001089822947 767339122 /nfs/dbraw/zinc/33/91/22/767339122.db2.gz BKQTVYGFHLAYBM-YVSFHVDLSA-N 1 1 342.443 0.945 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn[nH]c(=O)c1 ZINC001089823255 767339686 /nfs/dbraw/zinc/33/96/86/767339686.db2.gz DOVOTWRSLVBSPS-UKMLZYKCSA-N 1 1 326.400 0.988 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC001089826796 767341267 /nfs/dbraw/zinc/34/12/67/767341267.db2.gz LDQKOIGXJRIVHM-FZKCQIBNSA-N 1 1 345.447 0.327 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001089825339 767347953 /nfs/dbraw/zinc/34/79/53/767347953.db2.gz BJYLUZPNOAUACV-QAETUUGQSA-N 1 1 346.475 0.115 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC001046605888 767356139 /nfs/dbraw/zinc/35/61/39/767356139.db2.gz YCQBNHZQKUJAOK-FZKQIMNGSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC001046605888 767356148 /nfs/dbraw/zinc/35/61/48/767356148.db2.gz YCQBNHZQKUJAOK-FZKQIMNGSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001046619239 767374472 /nfs/dbraw/zinc/37/44/72/767374472.db2.gz NLVJBOVDXQCHCA-DAYGRLMNSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001046619240 767374538 /nfs/dbraw/zinc/37/45/38/767374538.db2.gz NLVJBOVDXQCHCA-HDMKZQKVSA-N 1 1 333.432 0.370 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNc2cccc(F)c2C#N)CC[N@H+]1C ZINC001106152733 767384393 /nfs/dbraw/zinc/38/43/93/767384393.db2.gz GNXQMLIXDDCQNF-FRRDWIJNSA-N 1 1 334.395 0.927 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F)C1CCC1 ZINC001106154603 767405711 /nfs/dbraw/zinc/40/57/11/767405711.db2.gz LPHPALBJFVDOOS-ZDUSSCGKSA-N 1 1 335.383 0.466 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccnc3n[nH]nc32)C1 ZINC001089835894 767431017 /nfs/dbraw/zinc/43/10/17/767431017.db2.gz LQTPRQKKMMDEJL-MXAVVETBSA-N 1 1 336.399 0.769 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn(CCOC)n1 ZINC001089837036 767432529 /nfs/dbraw/zinc/43/25/29/767432529.db2.gz XKYCKYNHYKENKQ-LHHMISFZSA-N 1 1 342.443 0.945 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C(N)=O)o1 ZINC001089836774 767432820 /nfs/dbraw/zinc/43/28/20/767432820.db2.gz UEBIJCUYHUXUBZ-DGAVXFQQSA-N 1 1 327.384 0.794 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1coc(C(N)=O)c1 ZINC001089839107 767434650 /nfs/dbraw/zinc/43/46/50/767434650.db2.gz PRJZWSNGCUYIDH-MHEUCROKSA-N 1 1 327.384 0.794 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001016995790 767450343 /nfs/dbraw/zinc/45/03/43/767450343.db2.gz YGQBUUUOZSYYTF-YMAMQOFZSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001016995790 767450346 /nfs/dbraw/zinc/45/03/46/767450346.db2.gz YGQBUUUOZSYYTF-YMAMQOFZSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001046678595 767466235 /nfs/dbraw/zinc/46/62/35/767466235.db2.gz SRHZIEFAGVTRNO-YJBOKZPZSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001046678595 767466239 /nfs/dbraw/zinc/46/62/39/767466239.db2.gz SRHZIEFAGVTRNO-YJBOKZPZSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3ncccn3n1)CO2 ZINC001053963317 767470036 /nfs/dbraw/zinc/47/00/36/767470036.db2.gz KXNVEBULORCXFF-CYBMUJFWSA-N 1 1 327.388 0.879 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001046681539 767471498 /nfs/dbraw/zinc/47/14/98/767471498.db2.gz OJLOAXXFOFTAIS-YVEFUNNKSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001046681539 767471504 /nfs/dbraw/zinc/47/15/04/767471504.db2.gz OJLOAXXFOFTAIS-YVEFUNNKSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001046689473 767485809 /nfs/dbraw/zinc/48/58/09/767485809.db2.gz KVXUDYOAEGWBIW-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001046689473 767485812 /nfs/dbraw/zinc/48/58/12/767485812.db2.gz KVXUDYOAEGWBIW-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001046692774 767495255 /nfs/dbraw/zinc/49/52/55/767495255.db2.gz ZEZRHRJQKCIZGU-UONOGXRCSA-N 1 1 335.448 0.230 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001046739358 767567177 /nfs/dbraw/zinc/56/71/77/767567177.db2.gz MGNNVCQJRWOSEQ-YOEHRIQHSA-N 1 1 331.420 0.532 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]c(C(N)=O)c1)CO2 ZINC001054008626 767585753 /nfs/dbraw/zinc/58/57/53/767585753.db2.gz CJWIZAVLOPLOOM-ZDUSSCGKSA-N 1 1 332.404 0.653 20 30 ECEDMO Cc1nc(N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001046752770 767589713 /nfs/dbraw/zinc/58/97/13/767589713.db2.gz KUSQHLOEULPYHX-FVQBIDKESA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1nc(N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001046752770 767589722 /nfs/dbraw/zinc/58/97/22/767589722.db2.gz KUSQHLOEULPYHX-FVQBIDKESA-N 1 1 343.431 0.899 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nnc(C)n3C1)CO2 ZINC001054015230 767602993 /nfs/dbraw/zinc/60/29/93/767602993.db2.gz DHCNBBIQFSYEJO-LSDHHAIUSA-N 1 1 345.447 0.685 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nncn3C1)CO2 ZINC001054016786 767607292 /nfs/dbraw/zinc/60/72/92/767607292.db2.gz JOEGZESHKXOILW-HUUCEWRRSA-N 1 1 345.447 0.766 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001054032985 767632094 /nfs/dbraw/zinc/63/20/94/767632094.db2.gz LLEDKFJWWNTNOW-MSOLQXFVSA-N 1 1 328.412 0.968 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)[nH]1 ZINC001054115571 767703550 /nfs/dbraw/zinc/70/35/50/767703550.db2.gz BBRHTCDFVKDBBZ-YJBOKZPZSA-N 1 1 341.415 0.703 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)N1C(=O)CCC1=O)C2 ZINC001054141535 767735887 /nfs/dbraw/zinc/73/58/87/767735887.db2.gz MFSRFAOYRKIVSV-KXBFYZLASA-N 1 1 345.443 0.862 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC(=O)N(CCOC)C1)C2 ZINC001054142085 767736370 /nfs/dbraw/zinc/73/63/70/767736370.db2.gz WWOALMYCCXJEAZ-LPHOPBHVSA-N 1 1 347.459 0.429 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001054160659 767758313 /nfs/dbraw/zinc/75/83/13/767758313.db2.gz LBJUABXBSHSUEN-SFHVURJKSA-N 1 1 346.431 0.840 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054161725 767759809 /nfs/dbraw/zinc/75/98/09/767759809.db2.gz NJZQCRORRTVKKH-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054161725 767759813 /nfs/dbraw/zinc/75/98/13/767759813.db2.gz NJZQCRORRTVKKH-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN(C(N)=O)C1)C2 ZINC001054162044 767760913 /nfs/dbraw/zinc/76/09/13/767760913.db2.gz VWGQRCCAPCIKND-MAUKXSAKSA-N 1 1 332.448 0.725 20 30 ECEDMO N#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001054168719 767765379 /nfs/dbraw/zinc/76/53/79/767765379.db2.gz HTJJNLXCMANNMQ-BDFRZKONSA-N 1 1 344.459 0.688 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054187926 767787427 /nfs/dbraw/zinc/78/74/27/767787427.db2.gz BSNBGLBOTOAKDB-ZDUSSCGKSA-N 1 1 330.226 0.695 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054187926 767787431 /nfs/dbraw/zinc/78/74/31/767787431.db2.gz BSNBGLBOTOAKDB-ZDUSSCGKSA-N 1 1 330.226 0.695 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001054225377 767830986 /nfs/dbraw/zinc/83/09/86/767830986.db2.gz VXZQZYMEZJXFAV-GOSISDBHSA-N 1 1 348.447 0.819 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001054227576 767835347 /nfs/dbraw/zinc/83/53/47/767835347.db2.gz OWUYBYSIFFHUSH-GOSISDBHSA-N 1 1 346.431 0.218 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106539067 768418743 /nfs/dbraw/zinc/41/87/43/768418743.db2.gz FIXASANGIIIFHE-HIFRSBDPSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106539067 768418744 /nfs/dbraw/zinc/41/87/44/768418744.db2.gz FIXASANGIIIFHE-HIFRSBDPSA-N 1 1 346.435 0.764 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001017853213 768472536 /nfs/dbraw/zinc/47/25/36/768472536.db2.gz VFOMSFCODJYBGR-TXEJJXNPSA-N 1 1 325.372 0.976 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001017853213 768472539 /nfs/dbraw/zinc/47/25/39/768472539.db2.gz VFOMSFCODJYBGR-TXEJJXNPSA-N 1 1 325.372 0.976 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1cnc(C#N)cn1 ZINC001106627672 768527177 /nfs/dbraw/zinc/52/71/77/768527177.db2.gz KIQBFNFBEVMENW-HIFRSBDPSA-N 1 1 326.404 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1cnc(C#N)cn1 ZINC001106627672 768527182 /nfs/dbraw/zinc/52/71/82/768527182.db2.gz KIQBFNFBEVMENW-HIFRSBDPSA-N 1 1 326.404 0.753 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@@H]21 ZINC001042053348 782685258 /nfs/dbraw/zinc/68/52/58/782685258.db2.gz YSSZXJZHFDAPST-ZBFHGGJFSA-N 1 1 331.420 0.484 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001018053774 768665828 /nfs/dbraw/zinc/66/58/28/768665828.db2.gz ZSQSIXWCJYEGOP-QLFBSQMISA-N 1 1 341.477 0.662 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001055223317 768681495 /nfs/dbraw/zinc/68/14/95/768681495.db2.gz XUZGAWXPGMFWAU-NCOADZHNSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001055248569 768706650 /nfs/dbraw/zinc/70/66/50/768706650.db2.gz SHOHVWAXQPQERM-IYBDPMFKSA-N 1 1 337.464 0.838 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001055250199 768708631 /nfs/dbraw/zinc/70/86/31/768708631.db2.gz ANRXDQKYMTYZJQ-WNKDZCFJSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001055313106 768767611 /nfs/dbraw/zinc/76/76/11/768767611.db2.gz BTWHQEALKNMNLP-GGXPGOJBSA-N 1 1 349.475 0.572 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001055313849 768770151 /nfs/dbraw/zinc/77/01/51/768770151.db2.gz FDQPJIUVCCNDFV-RVKKMQEKSA-N 1 1 337.464 0.571 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001055338294 768795148 /nfs/dbraw/zinc/79/51/48/768795148.db2.gz RFPHXVMUYOMDRJ-YESZJQIVSA-N 1 1 349.475 0.673 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001106748091 768843460 /nfs/dbraw/zinc/84/34/60/768843460.db2.gz JFZWZYRUWADLIN-RBSFLKMASA-N 1 1 345.447 0.022 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993354821 768852529 /nfs/dbraw/zinc/85/25/29/768852529.db2.gz UCEVVDBTSCYEBJ-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993354821 768852539 /nfs/dbraw/zinc/85/25/39/768852539.db2.gz UCEVVDBTSCYEBJ-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC1CC[NH+](CCNC(=O)C(F)F)CC1 ZINC001055479441 768899475 /nfs/dbraw/zinc/89/94/75/768899475.db2.gz NYJGYTDHOQCOEE-HNNXBMFYSA-N 1 1 333.379 0.275 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CC[NH+](CCNC(=O)C(F)F)CC2)c1 ZINC001055479883 768903104 /nfs/dbraw/zinc/90/31/04/768903104.db2.gz XCLKUJDXAUIVNH-UHFFFAOYSA-N 1 1 339.346 0.462 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001106778574 768941725 /nfs/dbraw/zinc/94/17/25/768941725.db2.gz CRZVOIYKIFFXSO-AWEZNQCLSA-N 1 1 330.436 0.905 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)[C@H]1C ZINC000993395316 768952105 /nfs/dbraw/zinc/95/21/05/768952105.db2.gz MJMDJYXPQIIXMS-CZUORRHYSA-N 1 1 329.400 0.767 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001018264256 768995448 /nfs/dbraw/zinc/99/54/48/768995448.db2.gz UYJIJRPQLAMMBA-BETUJISGSA-N 1 1 332.404 0.741 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001055538701 769051558 /nfs/dbraw/zinc/05/15/58/769051558.db2.gz KLTHZCVPPIMEQD-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO C=CCCC(=O)NCC[NH+]1CCC(NC(=O)Cc2nnc[nH]2)CC1 ZINC001055539228 769054446 /nfs/dbraw/zinc/05/44/46/769054446.db2.gz SILKDNUYJGWYIJ-UHFFFAOYSA-N 1 1 334.424 0.010 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCC(Nc3ccc(C#N)nn3)CC2)C1 ZINC001060583718 769070769 /nfs/dbraw/zinc/07/07/69/769070769.db2.gz MKFDJODSCPXJFK-SSDMNJCBSA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CCC(Nc3ccc(C#N)nn3)CC2)C1 ZINC001060583718 769070781 /nfs/dbraw/zinc/07/07/81/769070781.db2.gz MKFDJODSCPXJFK-SSDMNJCBSA-N 1 1 344.419 0.518 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)C[C@@H]21 ZINC001042079523 782724815 /nfs/dbraw/zinc/72/48/15/782724815.db2.gz DUHQWGHVCSMPSG-YOEHRIQHSA-N 1 1 341.411 0.720 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2csnn2)CC1 ZINC001055572328 769149670 /nfs/dbraw/zinc/14/96/70/769149670.db2.gz CYMBWQKGBCKHKZ-UHFFFAOYSA-N 1 1 349.460 0.508 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2cocn2)CC1 ZINC001055573651 769155758 /nfs/dbraw/zinc/15/57/58/769155758.db2.gz GMXGOZFIFVPHNH-UHFFFAOYSA-N 1 1 330.388 0.398 20 30 ECEDMO CC[N@H+](C)CCC(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055574930 769159068 /nfs/dbraw/zinc/15/90/68/769159068.db2.gz DZBDDZWJDQMIQV-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055574930 769159074 /nfs/dbraw/zinc/15/90/74/769159074.db2.gz DZBDDZWJDQMIQV-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO CC[C@H](C(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1)[NH+](C)C ZINC001055575070 769159754 /nfs/dbraw/zinc/15/97/54/769159754.db2.gz KPOPVFCPECWQBG-QGZVFWFLSA-N 1 1 348.491 0.437 20 30 ECEDMO CCc1oncc1C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055577577 769168218 /nfs/dbraw/zinc/16/82/18/769168218.db2.gz ONNIPYISVCITOO-GFCCVEGCSA-N 1 1 347.419 0.707 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H](CC)OC)C2)CC1 ZINC001018357017 769178785 /nfs/dbraw/zinc/17/87/85/769178785.db2.gz ZTZNSGSGCKAPLR-IAGOWNOFSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001018363855 769202969 /nfs/dbraw/zinc/20/29/69/769202969.db2.gz PMDOYBNSFIVKJM-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000993538732 769243613 /nfs/dbraw/zinc/24/36/13/769243613.db2.gz BDQDFJJHALFXNB-RYUDHWBXSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000993538732 769243619 /nfs/dbraw/zinc/24/36/19/769243619.db2.gz BDQDFJJHALFXNB-RYUDHWBXSA-N 1 1 339.417 0.533 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001055625644 769291348 /nfs/dbraw/zinc/29/13/48/769291348.db2.gz HLPCGVZYBUPVDW-AWEZNQCLSA-N 1 1 337.468 0.185 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001055631790 769304016 /nfs/dbraw/zinc/30/40/16/769304016.db2.gz KQNXJSCYOOOCDU-GJZGRUSLSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001055631790 769304024 /nfs/dbraw/zinc/30/40/24/769304024.db2.gz KQNXJSCYOOOCDU-GJZGRUSLSA-N 1 1 349.479 0.185 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H]1C ZINC000993552579 769309332 /nfs/dbraw/zinc/30/93/32/769309332.db2.gz SQXJBURJIJIZGB-WCQYABFASA-N 1 1 328.372 0.628 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H]1C ZINC000993552579 769309342 /nfs/dbraw/zinc/30/93/42/769309342.db2.gz SQXJBURJIJIZGB-WCQYABFASA-N 1 1 328.372 0.628 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H]1C ZINC000993617523 769370358 /nfs/dbraw/zinc/37/03/58/769370358.db2.gz FFCAMFWRFMYJRU-UONOGXRCSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C ZINC000993587781 769375830 /nfs/dbraw/zinc/37/58/30/769375830.db2.gz OYOKOCXKHNYTJB-KGLIPLIRSA-N 1 1 332.404 0.106 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C ZINC000993673175 769462674 /nfs/dbraw/zinc/46/26/74/769462674.db2.gz OQGWUVAZYFALBE-WCQYABFASA-N 1 1 344.423 0.853 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001055751101 769596446 /nfs/dbraw/zinc/59/64/46/769596446.db2.gz PDHVNVSFSBCQAU-CQSZACIVSA-N 1 1 333.367 0.072 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001055751101 769596454 /nfs/dbraw/zinc/59/64/54/769596454.db2.gz PDHVNVSFSBCQAU-CQSZACIVSA-N 1 1 333.367 0.072 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H]1C ZINC000993773410 769597318 /nfs/dbraw/zinc/59/73/18/769597318.db2.gz QQQUEADYZRQILA-PWSUYJOCSA-N 1 1 341.437 0.216 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001078358163 782766767 /nfs/dbraw/zinc/76/67/67/782766767.db2.gz KMWXWWREZJLDKR-QWHCGFSZSA-N 1 1 338.387 0.114 20 30 ECEDMO CC(C)n1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078359790 782771823 /nfs/dbraw/zinc/77/18/23/782771823.db2.gz DUAJFTBLHFWOOS-STQMWFEESA-N 1 1 335.412 0.121 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1C1CC1 ZINC001078360071 782772502 /nfs/dbraw/zinc/77/25/02/782772502.db2.gz KSOBLDVYIWCPLQ-DOMZBBRYSA-N 1 1 346.435 0.788 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000993926476 769831155 /nfs/dbraw/zinc/83/11/55/769831155.db2.gz BWOPUMWQNRSXGF-IUODEOHRSA-N 1 1 334.420 0.116 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)[C@@H]2C)nn1 ZINC000993980751 769956507 /nfs/dbraw/zinc/95/65/07/769956507.db2.gz BTNQRTPTYPERFA-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)[C@@H]2C)nn1 ZINC000993980751 769956512 /nfs/dbraw/zinc/95/65/12/769956512.db2.gz BTNQRTPTYPERFA-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC001018866025 770135048 /nfs/dbraw/zinc/13/50/48/770135048.db2.gz ZOWAQCVKCYWWBR-ZNMIVQPWSA-N 1 1 333.436 0.970 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001055906126 770167601 /nfs/dbraw/zinc/16/76/01/770167601.db2.gz AQUROMUDRJFKMG-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001055910224 770178258 /nfs/dbraw/zinc/17/82/58/770178258.db2.gz JNBAEQDPIDMSRT-VQIMIIECSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@H]21 ZINC001042132600 782827320 /nfs/dbraw/zinc/82/73/20/782827320.db2.gz DYOXEVOXUJYFAY-SWLSCSKDSA-N 1 1 340.383 0.582 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001055980953 770434818 /nfs/dbraw/zinc/43/48/18/770434818.db2.gz UIYDYNOPYHNBNG-QGZVFWFLSA-N 1 1 325.453 0.763 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)[C@H]2C)nc1 ZINC000994252482 770440795 /nfs/dbraw/zinc/44/07/95/770440795.db2.gz LXSGVGPGHVMVAP-GOEBONIOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@H]2C)nc1 ZINC000994252482 770440799 /nfs/dbraw/zinc/44/07/99/770440799.db2.gz LXSGVGPGHVMVAP-GOEBONIOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(CC)n2C)C1 ZINC001018985875 770483866 /nfs/dbraw/zinc/48/38/66/770483866.db2.gz KAUWLWDWZWWCFP-GJZGRUSLSA-N 1 1 344.463 0.166 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(CC)n2C)C1 ZINC001018985875 770483869 /nfs/dbraw/zinc/48/38/69/770483869.db2.gz KAUWLWDWZWWCFP-GJZGRUSLSA-N 1 1 344.463 0.166 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nc(CCC)no2)C1 ZINC001018985876 770484187 /nfs/dbraw/zinc/48/41/87/770484187.db2.gz KAWWHWVKHWGSQD-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nc(CCC)no2)C1 ZINC001018985876 770484193 /nfs/dbraw/zinc/48/41/93/770484193.db2.gz KAWWHWVKHWGSQD-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CN1CC(=O)N(C)C1=O ZINC001099302573 770536230 /nfs/dbraw/zinc/53/62/30/770536230.db2.gz CADLCDYMPQZRFY-AWEZNQCLSA-N 1 1 348.447 0.511 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001019011721 770564037 /nfs/dbraw/zinc/56/40/37/770564037.db2.gz VHUZMYLYVHORGO-INIZCTEOSA-N 1 1 345.443 0.181 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001019011721 770564043 /nfs/dbraw/zinc/56/40/43/770564043.db2.gz VHUZMYLYVHORGO-INIZCTEOSA-N 1 1 345.443 0.181 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056019739 770573017 /nfs/dbraw/zinc/57/30/17/770573017.db2.gz OUXOOFGYPSPMMD-LPHOPBHVSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC000994336445 770635127 /nfs/dbraw/zinc/63/51/27/770635127.db2.gz KEHYXMVSFXVHQS-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO N#Cc1cnccc1N1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001056052866 770686586 /nfs/dbraw/zinc/68/65/86/770686586.db2.gz VDYWVXBYYQPFRG-NVXWUHKLSA-N 1 1 341.415 0.465 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(c3ncc(C#N)cc3F)CC2)O1 ZINC001056071811 770749689 /nfs/dbraw/zinc/74/96/89/770749689.db2.gz GNPWWKRDOUPIBO-IUODEOHRSA-N 1 1 347.394 0.460 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(c3ncc(C#N)cc3F)CC2)O1 ZINC001056071811 770749690 /nfs/dbraw/zinc/74/96/90/770749690.db2.gz GNPWWKRDOUPIBO-IUODEOHRSA-N 1 1 347.394 0.460 20 30 ECEDMO C=CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001056085739 770795977 /nfs/dbraw/zinc/79/59/77/770795977.db2.gz TVULNZTXTBLKHR-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO COc1cc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)on1 ZINC001078397927 782868507 /nfs/dbraw/zinc/86/85/07/782868507.db2.gz HTNORCPXDKWCQP-OAHLLOKOSA-N 1 1 333.388 0.804 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001056121717 770871992 /nfs/dbraw/zinc/87/19/92/770871992.db2.gz BTBXHOQHRKCSTA-QGZVFWFLSA-N 1 1 341.452 0.001 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001056124648 770884483 /nfs/dbraw/zinc/88/44/83/770884483.db2.gz ZZTINEILFHZIBV-GOSISDBHSA-N 1 1 337.464 0.601 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001056233217 771025843 /nfs/dbraw/zinc/02/58/43/771025843.db2.gz RHYMOTNXYOYSEI-HDEZJCGLSA-N 1 1 341.415 0.225 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001056233217 771025849 /nfs/dbraw/zinc/02/58/49/771025849.db2.gz RHYMOTNXYOYSEI-HDEZJCGLSA-N 1 1 341.415 0.225 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)C[C@@H]21 ZINC001042172870 782888093 /nfs/dbraw/zinc/88/80/93/782888093.db2.gz JWEFOAWEYFIQRZ-GJZGRUSLSA-N 1 1 341.415 0.605 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC(C)(C)C1 ZINC001089401278 771058967 /nfs/dbraw/zinc/05/89/67/771058967.db2.gz RHYUVDJMUMMZNK-AWEZNQCLSA-N 1 1 348.447 0.340 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(C[C@H]3C[C@@]34CCOC4)C2)CC1 ZINC001031434780 771068736 /nfs/dbraw/zinc/06/87/36/771068736.db2.gz DYKDUHXBEQZASR-VQIMIIECSA-N 1 1 331.460 0.559 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(Cc3n[nH]c(C(C)C)n3)C2)CC1 ZINC001031436083 771070690 /nfs/dbraw/zinc/07/06/90/771070690.db2.gz SGMOWZMNJZJHHV-UHFFFAOYSA-N 1 1 344.463 0.574 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC(C)(C)C1 ZINC001089409667 771092165 /nfs/dbraw/zinc/09/21/65/771092165.db2.gz VGKKSWMVSDNDAS-STQMWFEESA-N 1 1 336.436 0.767 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)C[C@@H]21 ZINC001042177220 782894370 /nfs/dbraw/zinc/89/43/70/782894370.db2.gz VAYXMDXBBVEMOH-STQMWFEESA-N 1 1 342.407 0.416 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001056305869 771098641 /nfs/dbraw/zinc/09/86/41/771098641.db2.gz HLUBYDXKFGUGMO-DLTWYDFYSA-N 1 1 340.431 0.772 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)C[N@H+](C)C(C)C ZINC001056401260 771225819 /nfs/dbraw/zinc/22/58/19/771225819.db2.gz CTTKOFDIGZPRDD-IKGGRYGDSA-N 1 1 349.475 0.957 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001056410270 771241728 /nfs/dbraw/zinc/24/17/28/771241728.db2.gz HVJPIFVTKAKCBT-CTNYNGJSSA-N 1 1 325.416 0.846 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001056460950 771295423 /nfs/dbraw/zinc/29/54/23/771295423.db2.gz PSKJGWWLFQSUJF-OSRDXIQISA-N 1 1 326.404 0.383 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCOCCNc1ccc(C#N)nn1 ZINC001127471847 771299470 /nfs/dbraw/zinc/29/94/70/771299470.db2.gz AASWPPABGYTNJK-DZGCQCFKSA-N 1 1 346.435 0.433 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C)nn3)C[C@H]21 ZINC001056467959 771305699 /nfs/dbraw/zinc/30/56/99/771305699.db2.gz YTJFSUSQVRZXLC-QSJFSLAZSA-N 1 1 325.416 0.433 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C)nn3)C[C@H]21 ZINC001056467959 771305703 /nfs/dbraw/zinc/30/57/03/771305703.db2.gz YTJFSUSQVRZXLC-QSJFSLAZSA-N 1 1 325.416 0.433 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCOCCNc2nccnc2C#N)C1 ZINC001127486084 771335543 /nfs/dbraw/zinc/33/55/43/771335543.db2.gz GRPIJGSMISHPAD-AWEZNQCLSA-N 1 1 346.435 0.577 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031580973 771337394 /nfs/dbraw/zinc/33/73/94/771337394.db2.gz XTKOFELBJABCFM-UONOGXRCSA-N 1 1 333.413 0.977 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC(C)(C)C1 ZINC001089514469 771382268 /nfs/dbraw/zinc/38/22/68/771382268.db2.gz NIJZTXIVEKETAF-XYEKJYRLSA-N 1 1 348.447 0.767 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089520686 771394961 /nfs/dbraw/zinc/39/49/61/771394961.db2.gz ZQEUFPWVZMKXCH-CYBMUJFWSA-N 1 1 334.420 0.168 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056599589 771420087 /nfs/dbraw/zinc/42/00/87/771420087.db2.gz KATJTXOYSRPSGO-TZMCWYRMSA-N 1 1 330.392 0.000 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056599589 771420090 /nfs/dbraw/zinc/42/00/90/771420090.db2.gz KATJTXOYSRPSGO-TZMCWYRMSA-N 1 1 330.392 0.000 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC(C)(C)C1 ZINC001089551512 771464383 /nfs/dbraw/zinc/46/43/83/771464383.db2.gz HTJQLJYRRCYEOB-AWEZNQCLSA-N 1 1 335.452 0.683 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001019558682 771483883 /nfs/dbraw/zinc/48/38/83/771483883.db2.gz GQTLMSWUAGCCLR-HNNXBMFYSA-N 1 1 343.366 0.465 20 30 ECEDMO N#Cc1ccc(N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)nc1 ZINC001056667085 771490495 /nfs/dbraw/zinc/49/04/95/771490495.db2.gz TTWILEFYESPEIR-OAHLLOKOSA-N 1 1 329.404 0.688 20 30 ECEDMO N#Cc1cc(C(=O)NCC2C[NH+]([C@H]3CCN(C4CCC4)C3=O)C2)c[nH]1 ZINC001031623187 771508506 /nfs/dbraw/zinc/50/85/06/771508506.db2.gz WMDRHCAPWLPVKA-INIZCTEOSA-N 1 1 341.415 0.701 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001056692122 771521707 /nfs/dbraw/zinc/52/17/07/771521707.db2.gz LZFKYTITJIJYSW-YESZJQIVSA-N 1 1 349.475 0.816 20 30 ECEDMO Cn1oc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cc1=O ZINC001031636520 771560218 /nfs/dbraw/zinc/56/02/18/771560218.db2.gz CXBRELAQGNFTBB-UHFFFAOYSA-N 1 1 332.385 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC2CC2)CCCO1 ZINC001019611739 771593208 /nfs/dbraw/zinc/59/32/08/771593208.db2.gz OVLIBFATFOXVJL-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC2CC2)CCCO1 ZINC001019611739 771593212 /nfs/dbraw/zinc/59/32/12/771593212.db2.gz OVLIBFATFOXVJL-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)cn3)C2)O1 ZINC001056812369 771675695 /nfs/dbraw/zinc/67/56/95/771675695.db2.gz ZAWSKCBMFLIDCK-BPLDGKMQSA-N 1 1 329.404 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)cn3)C2)O1 ZINC001056812369 771675698 /nfs/dbraw/zinc/67/56/98/771675698.db2.gz ZAWSKCBMFLIDCK-BPLDGKMQSA-N 1 1 329.404 0.685 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)c1 ZINC001042211972 782946293 /nfs/dbraw/zinc/94/62/93/782946293.db2.gz XKSNWUIJBOUXLM-IUODEOHRSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)c1 ZINC001042211972 782946298 /nfs/dbraw/zinc/94/62/98/782946298.db2.gz XKSNWUIJBOUXLM-IUODEOHRSA-N 1 1 330.363 0.605 20 30 ECEDMO Cc1cc(N(C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001056879346 771755691 /nfs/dbraw/zinc/75/56/91/771755691.db2.gz AYSTVOUNFWBKMO-DOTOQJQBSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1cc(N(C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001056879346 771755693 /nfs/dbraw/zinc/75/56/93/771755693.db2.gz AYSTVOUNFWBKMO-DOTOQJQBSA-N 1 1 343.431 0.629 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)cn3)C2)C1 ZINC001056930152 771821533 /nfs/dbraw/zinc/82/15/33/771821533.db2.gz DEIXPFCDVWMMJL-HOTGVXAUSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)cn3)C2)C1 ZINC001056930152 771821537 /nfs/dbraw/zinc/82/15/37/771821537.db2.gz DEIXPFCDVWMMJL-HOTGVXAUSA-N 1 1 343.431 0.711 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3nccnc3C#N)C2)CC[N@H+]1C ZINC001057052889 772001131 /nfs/dbraw/zinc/00/11/31/772001131.db2.gz RUVWTKUGIRQFAB-HZSPNIEDSA-N 1 1 328.420 0.726 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2ccnc(C)n2)C1 ZINC001057060195 772013594 /nfs/dbraw/zinc/01/35/94/772013594.db2.gz GWAKANRFEZAZNY-CVEARBPZSA-N 1 1 327.432 0.920 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2ccnc(C)n2)C1 ZINC001057060195 772013597 /nfs/dbraw/zinc/01/35/97/772013597.db2.gz GWAKANRFEZAZNY-CVEARBPZSA-N 1 1 327.432 0.920 20 30 ECEDMO Cc1cc(C#N)nc(N2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001057104580 772090021 /nfs/dbraw/zinc/09/00/21/772090021.db2.gz DFTVWTZTAHBOQZ-HNNXBMFYSA-N 1 1 328.420 0.790 20 30 ECEDMO C=C1CCC(C(=O)N2CCCO[C@H](C[NH2+]Cc3nnnn3C)C2)CC1 ZINC001078459847 782986574 /nfs/dbraw/zinc/98/65/74/782986574.db2.gz DLDJNVDCRHZUDC-OAHLLOKOSA-N 1 1 348.451 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn[nH]c2)[C@H]1C ZINC001020083856 772138153 /nfs/dbraw/zinc/13/81/53/772138153.db2.gz AHZPFRWVVZCXRN-QEJZJMRPSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn[nH]c2)[C@H]1C ZINC001020083856 772138154 /nfs/dbraw/zinc/13/81/54/772138154.db2.gz AHZPFRWVVZCXRN-QEJZJMRPSA-N 1 1 329.404 0.227 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057172935 772213795 /nfs/dbraw/zinc/21/37/95/772213795.db2.gz YTJBLOZZBZHJOY-HZPDHXFCSA-N 1 1 337.464 0.907 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001020160209 772229382 /nfs/dbraw/zinc/22/93/82/772229382.db2.gz LZGIDHDXVIYFEZ-YUTCNCBUSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCCO2)[C@H]1C ZINC001020185236 772258533 /nfs/dbraw/zinc/25/85/33/772258533.db2.gz LRUBPBAZOMDFLW-QAETUUGQSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCCO2)[C@H]1C ZINC001020185236 772258537 /nfs/dbraw/zinc/25/85/37/772258537.db2.gz LRUBPBAZOMDFLW-QAETUUGQSA-N 1 1 347.459 0.759 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057202796 772266737 /nfs/dbraw/zinc/26/67/37/772266737.db2.gz YODIXOXFEFJUII-UHFFFAOYSA-N 1 1 325.376 0.592 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057234653 772319290 /nfs/dbraw/zinc/31/92/90/772319290.db2.gz KSXQFKBPWLROHT-UONOGXRCSA-N 1 1 328.420 0.585 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(c3ccncc3C#N)CC2)O1 ZINC001057254710 772351047 /nfs/dbraw/zinc/35/10/47/772351047.db2.gz BBYPVHZVCJTOQB-RHSMWYFYSA-N 1 1 343.431 0.711 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(c3ccncc3C#N)CC2)O1 ZINC001057254710 772351053 /nfs/dbraw/zinc/35/10/53/772351053.db2.gz BBYPVHZVCJTOQB-RHSMWYFYSA-N 1 1 343.431 0.711 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccc(C#N)nn3)CC2)C1 ZINC001057303222 772432625 /nfs/dbraw/zinc/43/26/25/772432625.db2.gz JJFLPWFQHCZXOI-CQSZACIVSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccc(C#N)nn3)CC2)C1 ZINC001057303222 772432627 /nfs/dbraw/zinc/43/26/27/772432627.db2.gz JJFLPWFQHCZXOI-CQSZACIVSA-N 1 1 330.392 0.082 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001057390385 772559266 /nfs/dbraw/zinc/55/92/66/772559266.db2.gz ZFEPZHAXEBLSMY-UHFFFAOYSA-N 1 1 339.480 0.847 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 ZINC001057426858 772601812 /nfs/dbraw/zinc/60/18/12/772601812.db2.gz JCBORHLKTYBIEK-IUODEOHRSA-N 1 1 328.420 0.949 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001057445110 772621885 /nfs/dbraw/zinc/62/18/85/772621885.db2.gz HRZAZRXWOBINAD-HOTGVXAUSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2nccnc2C#N)CC1 ZINC001057449099 772628433 /nfs/dbraw/zinc/62/84/33/772628433.db2.gz XLHOVAOXPQMWCG-INIZCTEOSA-N 1 1 338.415 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2nccnc2C#N)CC1 ZINC001057449099 772628435 /nfs/dbraw/zinc/62/84/35/772628435.db2.gz XLHOVAOXPQMWCG-INIZCTEOSA-N 1 1 338.415 0.849 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001057525367 772718109 /nfs/dbraw/zinc/71/81/09/772718109.db2.gz PWVWDHYHTLKCNT-MRXNPFEDSA-N 1 1 337.464 0.457 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 ZINC001057535657 772730726 /nfs/dbraw/zinc/73/07/26/772730726.db2.gz DUQYATVTBCOQKA-UHFFFAOYSA-N 1 1 335.448 0.069 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057539014 772734283 /nfs/dbraw/zinc/73/42/83/772734283.db2.gz KUONETAVHGNLGY-KRWDZBQOSA-N 1 1 349.475 0.457 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057569848 772765768 /nfs/dbraw/zinc/76/57/68/772765768.db2.gz GVBQBRATPJEFAY-KRWDZBQOSA-N 1 1 349.475 0.600 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057601323 772799050 /nfs/dbraw/zinc/79/90/50/772799050.db2.gz NHPKXASJLXYWOZ-UONOGXRCSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057601323 772799051 /nfs/dbraw/zinc/79/90/51/772799051.db2.gz NHPKXASJLXYWOZ-UONOGXRCSA-N 1 1 330.392 0.082 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057643722 772855300 /nfs/dbraw/zinc/85/53/00/772855300.db2.gz JEQVPRXQOZBUKI-UONOGXRCSA-N 1 1 336.436 0.587 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001057656135 772872466 /nfs/dbraw/zinc/87/24/66/772872466.db2.gz YEUAJSNQWYASRF-WBVHZDCISA-N 1 1 343.431 0.499 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001057656135 772872469 /nfs/dbraw/zinc/87/24/69/772872469.db2.gz YEUAJSNQWYASRF-WBVHZDCISA-N 1 1 343.431 0.499 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057692509 772916871 /nfs/dbraw/zinc/91/68/71/772916871.db2.gz IUWIDBKRYWPZIR-CYBMUJFWSA-N 1 1 345.871 0.654 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057785750 772981015 /nfs/dbraw/zinc/98/10/15/772981015.db2.gz OVZRDVLKJPOTDZ-OAHLLOKOSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001057853339 773072722 /nfs/dbraw/zinc/07/27/22/773072722.db2.gz LWVZCJHGBWOABN-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001057857484 773076404 /nfs/dbraw/zinc/07/64/04/773076404.db2.gz DTHOQFQDWCVWJA-IYBDPMFKSA-N 1 1 337.464 0.456 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)C[N@@H+](C)C(C)C ZINC001057864366 773092097 /nfs/dbraw/zinc/09/20/97/773092097.db2.gz OSYJOSTVEXPTCD-UHFFFAOYSA-N 1 1 325.453 0.457 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001057866526 773097258 /nfs/dbraw/zinc/09/72/58/773097258.db2.gz UBQIFESTYQSNTD-GOEBONIOSA-N 1 1 346.431 0.386 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001057866527 773097278 /nfs/dbraw/zinc/09/72/78/773097278.db2.gz UBQIFESTYQSNTD-HOCLYGCPSA-N 1 1 346.431 0.386 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001057876304 773114003 /nfs/dbraw/zinc/11/40/03/773114003.db2.gz GZQVZOYYMSJJSJ-CQSZACIVSA-N 1 1 348.447 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C=C1CCC1 ZINC001057961127 773290791 /nfs/dbraw/zinc/29/07/91/773290791.db2.gz JYNFEBAUKOOQQA-INIZCTEOSA-N 1 1 333.432 0.131 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C=C1CCC1 ZINC001057961127 773290795 /nfs/dbraw/zinc/29/07/95/773290795.db2.gz JYNFEBAUKOOQQA-INIZCTEOSA-N 1 1 333.432 0.131 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC1CCCC1 ZINC001057961126 773290864 /nfs/dbraw/zinc/29/08/64/773290864.db2.gz JWRNTKISZHDJML-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC1CCCC1 ZINC001057961126 773290867 /nfs/dbraw/zinc/29/08/67/773290867.db2.gz JWRNTKISZHDJML-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](F)C(C)C ZINC001057962021 773293673 /nfs/dbraw/zinc/29/36/73/773293673.db2.gz DEQWRXZDMJASCX-GJZGRUSLSA-N 1 1 341.427 0.015 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](F)C(C)C ZINC001057962021 773293675 /nfs/dbraw/zinc/29/36/75/773293675.db2.gz DEQWRXZDMJASCX-GJZGRUSLSA-N 1 1 341.427 0.015 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C)CCCC1 ZINC001057962345 773294272 /nfs/dbraw/zinc/29/42/72/773294272.db2.gz SAQKZJFSNIQBQA-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C)CCCC1 ZINC001057962345 773294276 /nfs/dbraw/zinc/29/42/76/773294276.db2.gz SAQKZJFSNIQBQA-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(c3ncccc3C#N)CC2)O1 ZINC001057969321 773307924 /nfs/dbraw/zinc/30/79/24/773307924.db2.gz NOKQPSQJUZGGTJ-CZUORRHYSA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(c3ncccc3C#N)CC2)O1 ZINC001057969321 773307932 /nfs/dbraw/zinc/30/79/32/773307932.db2.gz NOKQPSQJUZGGTJ-CZUORRHYSA-N 1 1 343.431 0.757 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058039250 773405760 /nfs/dbraw/zinc/40/57/60/773405760.db2.gz UMJWILNIPLRVIE-OAHLLOKOSA-N 1 1 337.464 0.457 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058056284 773445816 /nfs/dbraw/zinc/44/58/16/773445816.db2.gz ONGIEPTZJBGRKQ-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058087026 773508405 /nfs/dbraw/zinc/50/84/05/773508405.db2.gz BAQQLWKZEMEGAA-DZGCQCFKSA-N 1 1 342.447 0.973 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058111073 773553722 /nfs/dbraw/zinc/55/37/22/773553722.db2.gz JHYAUIXBZTZFLU-UHFFFAOYSA-N 1 1 336.436 0.731 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058112614 773557679 /nfs/dbraw/zinc/55/76/79/773557679.db2.gz AKTSWSWTXMRGAY-HNNXBMFYSA-N 1 1 336.436 0.731 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001058117578 773567309 /nfs/dbraw/zinc/56/73/09/773567309.db2.gz BCDSWYBTZIIHKL-UHFFFAOYSA-N 1 1 348.447 0.665 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058211439 773782253 /nfs/dbraw/zinc/78/22/53/773782253.db2.gz CPQUHZWLUIXKSL-CYBMUJFWSA-N 1 1 325.376 0.638 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058241342 773828840 /nfs/dbraw/zinc/82/88/40/773828840.db2.gz OHJCNUDCPAIPLT-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058257473 773858771 /nfs/dbraw/zinc/85/87/71/773858771.db2.gz XRSIUTSSXAUTTD-GJZGRUSLSA-N 1 1 327.469 0.724 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001058314574 773955796 /nfs/dbraw/zinc/95/57/96/773955796.db2.gz MCROQZPYERIVQS-JSGCOSHPSA-N 1 1 328.420 0.700 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058381991 774069857 /nfs/dbraw/zinc/06/98/57/774069857.db2.gz ZWKLPJCIZBGCCP-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058447402 774200388 /nfs/dbraw/zinc/20/03/88/774200388.db2.gz WUWXIQKCSFRJEW-HIFRSBDPSA-N 1 1 328.420 0.916 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001058466101 774238847 /nfs/dbraw/zinc/23/88/47/774238847.db2.gz GHUNGWCVBBACTR-GJZGRUSLSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001058468728 774244356 /nfs/dbraw/zinc/24/43/56/774244356.db2.gz PNBNIJJZSMGHHE-HNNXBMFYSA-N 1 1 336.436 0.731 20 30 ECEDMO N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)nn1 ZINC001058469931 774245904 /nfs/dbraw/zinc/24/59/04/774245904.db2.gz VIQJYBBZQZXWIY-UONOGXRCSA-N 1 1 337.387 0.817 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058469118 774246213 /nfs/dbraw/zinc/24/62/13/774246213.db2.gz ZHWACSKZDOGILV-HUUCEWRRSA-N 1 1 325.453 0.478 20 30 ECEDMO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001039830977 783169883 /nfs/dbraw/zinc/16/98/83/783169883.db2.gz MVQFRUMUIOQBLT-KDOFPFPSSA-N 1 1 346.431 0.471 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001058525375 774362610 /nfs/dbraw/zinc/36/26/10/774362610.db2.gz OGSMCMMSAAGFAJ-MELADBBJSA-N 1 1 328.420 0.773 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001058546705 774408405 /nfs/dbraw/zinc/40/84/05/774408405.db2.gz LDDOPGIKUASGLP-OCCSQVGLSA-N 1 1 328.420 0.693 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001058550623 774418022 /nfs/dbraw/zinc/41/80/22/774418022.db2.gz AJSSFASXIDHWEI-KGLIPLIRSA-N 1 1 328.420 0.836 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)O1 ZINC001058587810 774485497 /nfs/dbraw/zinc/48/54/97/774485497.db2.gz KGTQWAVUQXYOIT-BPLDGKMQSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)O1 ZINC001058587810 774485501 /nfs/dbraw/zinc/48/55/01/774485501.db2.gz KGTQWAVUQXYOIT-BPLDGKMQSA-N 1 1 329.404 0.367 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O ZINC001044778284 774602386 /nfs/dbraw/zinc/60/23/86/774602386.db2.gz BEYOWXHPRHCFAK-KFWWJZLASA-N 1 1 329.404 0.103 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001044778801 774603184 /nfs/dbraw/zinc/60/31/84/774603184.db2.gz LCZIZAAQXLZHAH-OAGGEKHMSA-N 1 1 343.431 0.412 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnn(C)n3)C[C@@H]2C)nc1 ZINC001044822922 774651534 /nfs/dbraw/zinc/65/15/34/774651534.db2.gz MUHLDRFMURYHNF-GXTWGEPZSA-N 1 1 339.403 0.369 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001044980577 774795670 /nfs/dbraw/zinc/79/56/70/774795670.db2.gz OFQGDOFJGLBXAR-UONOGXRCSA-N 1 1 339.480 0.864 20 30 ECEDMO CC(C)n1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001045001894 774819235 /nfs/dbraw/zinc/81/92/35/774819235.db2.gz BVXOEPYKDLMZAK-AWEZNQCLSA-N 1 1 342.407 0.848 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001045069265 774929115 /nfs/dbraw/zinc/92/91/15/774929115.db2.gz REASYYFFHZUALW-AWEZNQCLSA-N 1 1 334.420 0.483 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001044010895 775504752 /nfs/dbraw/zinc/50/47/52/775504752.db2.gz FQYIAVDASYYNLG-HNNXBMFYSA-N 1 1 347.459 0.211 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044011071 775506649 /nfs/dbraw/zinc/50/66/49/775506649.db2.gz IWMPNEYLAWBEOA-OAHLLOKOSA-N 1 1 349.475 0.786 20 30 ECEDMO Cn1nncc1C[NH+]1CCC(C)(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001045399018 775541867 /nfs/dbraw/zinc/54/18/67/775541867.db2.gz IJHLNQXBGZDAGP-UHFFFAOYSA-N 1 1 327.392 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCCC=C)C1 ZINC001045462739 775647138 /nfs/dbraw/zinc/64/71/38/775647138.db2.gz NSRPTVWGCGYRLS-HNNXBMFYSA-N 1 1 333.432 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCCC=C)C1 ZINC001045462739 775647145 /nfs/dbraw/zinc/64/71/45/775647145.db2.gz NSRPTVWGCGYRLS-HNNXBMFYSA-N 1 1 333.432 0.130 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@@H]1n1ccnn1 ZINC001070031257 790392891 /nfs/dbraw/zinc/39/28/91/790392891.db2.gz ODLGSKIWVOCLNG-WCVJEAGWSA-N 1 1 333.436 0.867 20 30 ECEDMO C=CCCC(=O)NC1(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCOCC1 ZINC001070032539 790395187 /nfs/dbraw/zinc/39/51/87/790395187.db2.gz ZEJFUUUYJXQMIU-LSDHHAIUSA-N 1 1 337.464 0.932 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC2CC2)c1 ZINC001045747851 776128858 /nfs/dbraw/zinc/12/88/58/776128858.db2.gz UOEAJAOWZDLKAU-CABCVRRESA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC2CC2)c1 ZINC001045747851 776128864 /nfs/dbraw/zinc/12/88/64/776128864.db2.gz UOEAJAOWZDLKAU-CABCVRRESA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC2CC2)[nH]1 ZINC001045757336 776147028 /nfs/dbraw/zinc/14/70/28/776147028.db2.gz JDQHGBZVMIGOJE-CABCVRRESA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC2CC2)[nH]1 ZINC001045757336 776147038 /nfs/dbraw/zinc/14/70/38/776147038.db2.gz JDQHGBZVMIGOJE-CABCVRRESA-N 1 1 341.415 0.844 20 30 ECEDMO C=C(Br)CN1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001044322744 776149926 /nfs/dbraw/zinc/14/99/26/776149926.db2.gz QFTDOSZRFQYTLO-ZDUSSCGKSA-N 1 1 346.269 0.758 20 30 ECEDMO C=C(Br)CN1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001044322744 776149931 /nfs/dbraw/zinc/14/99/31/776149931.db2.gz QFTDOSZRFQYTLO-ZDUSSCGKSA-N 1 1 346.269 0.758 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001044475308 776335129 /nfs/dbraw/zinc/33/51/29/776335129.db2.gz OJXNNGVEUGNQQG-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@@H]1O ZINC001044560243 776439933 /nfs/dbraw/zinc/43/99/33/776439933.db2.gz TXUQBSXDAXJXCX-KBXIAJHMSA-N 1 1 332.404 0.350 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001079634323 776567651 /nfs/dbraw/zinc/56/76/51/776567651.db2.gz ILFJQFKKDNGCFX-KFWWJZLASA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001079634323 776567659 /nfs/dbraw/zinc/56/76/59/776567659.db2.gz ILFJQFKKDNGCFX-KFWWJZLASA-N 1 1 345.447 0.740 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070052709 790460391 /nfs/dbraw/zinc/46/03/91/790460391.db2.gz HYYKZAVNSZYXTA-KGLIPLIRSA-N 1 1 330.396 0.028 20 30 ECEDMO C#CCCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079641851 776587297 /nfs/dbraw/zinc/58/72/97/776587297.db2.gz BRKXIVMAQZINGA-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079641851 776587304 /nfs/dbraw/zinc/58/73/04/776587304.db2.gz BRKXIVMAQZINGA-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cnnn1C ZINC001079644072 776593286 /nfs/dbraw/zinc/59/32/86/776593286.db2.gz LNRNSJWKRGSULB-ZWNOBZJWSA-N 1 1 330.417 0.999 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cnnn1C ZINC001079644072 776593295 /nfs/dbraw/zinc/59/32/95/776593295.db2.gz LNRNSJWKRGSULB-ZWNOBZJWSA-N 1 1 330.417 0.999 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001079675352 776667782 /nfs/dbraw/zinc/66/77/82/776667782.db2.gz SDIIXNQGALWRBJ-MCIONIFRSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001079675352 776667786 /nfs/dbraw/zinc/66/77/86/776667786.db2.gz SDIIXNQGALWRBJ-MCIONIFRSA-N 1 1 331.420 0.555 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001079690291 776694069 /nfs/dbraw/zinc/69/40/69/776694069.db2.gz UJEITPMHKJXMCD-KBXCAEBGSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](O)C(C)C)C1 ZINC001079709779 776739756 /nfs/dbraw/zinc/73/97/56/776739756.db2.gz ODCXRLLNBHXLEQ-JKSUJKDBSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](O)C(C)C)C1 ZINC001079709779 776739766 /nfs/dbraw/zinc/73/97/66/776739766.db2.gz ODCXRLLNBHXLEQ-JKSUJKDBSA-N 1 1 335.448 0.160 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)Cn1nccn1 ZINC001079773891 776842921 /nfs/dbraw/zinc/84/29/21/776842921.db2.gz DEAXHYHBYYOXOP-MLGOLLRUSA-N 1 1 342.378 0.926 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)Cn1nccn1 ZINC001079773891 776842930 /nfs/dbraw/zinc/84/29/30/776842930.db2.gz DEAXHYHBYYOXOP-MLGOLLRUSA-N 1 1 342.378 0.926 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001079776603 776851550 /nfs/dbraw/zinc/85/15/50/776851550.db2.gz KIRZZRVKWZDKBC-HNNXBMFYSA-N 1 1 349.475 0.816 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](n2ccnn2)C1 ZINC001070067374 790495840 /nfs/dbraw/zinc/49/58/40/790495840.db2.gz KUIAABRYYFCEKV-CABCVRRESA-N 1 1 345.407 0.520 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1C ZINC001079878245 777011919 /nfs/dbraw/zinc/01/19/19/777011919.db2.gz OGPFTLLVGHSWAH-OLMNPRSZSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1C ZINC001079878245 777011923 /nfs/dbraw/zinc/01/19/23/777011923.db2.gz OGPFTLLVGHSWAH-OLMNPRSZSA-N 1 1 341.459 0.819 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001079911309 777059642 /nfs/dbraw/zinc/05/96/42/777059642.db2.gz KSXLKRRGPVVJSY-BNOWGMLFSA-N 1 1 345.403 0.019 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079980799 777187420 /nfs/dbraw/zinc/18/74/20/777187420.db2.gz BGWSZRSXYXBSTI-AWEZNQCLSA-N 1 1 325.453 0.979 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001080036049 777281469 /nfs/dbraw/zinc/28/14/69/777281469.db2.gz IHPLOVPVZKLMAO-GHMZBOCLSA-N 1 1 327.406 0.553 20 30 ECEDMO CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001080140610 777450453 /nfs/dbraw/zinc/45/04/53/777450453.db2.gz XCWWIEFAVINGOI-CYBMUJFWSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@@H](n2ccnn2)C1 ZINC001070082189 790540712 /nfs/dbraw/zinc/54/07/12/790540712.db2.gz BKOWJIZSQNCATO-KGLIPLIRSA-N 1 1 340.387 0.360 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@@H](n2ccnn2)C1 ZINC001070082189 790540724 /nfs/dbraw/zinc/54/07/24/790540724.db2.gz BKOWJIZSQNCATO-KGLIPLIRSA-N 1 1 340.387 0.360 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001080189922 777522794 /nfs/dbraw/zinc/52/27/94/777522794.db2.gz SVTHFJIDLBMUJO-IUODEOHRSA-N 1 1 327.392 0.684 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001080189824 777522902 /nfs/dbraw/zinc/52/29/02/777522902.db2.gz NXECWXGVNPTFKJ-IUODEOHRSA-N 1 1 325.376 0.131 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001080197897 777539627 /nfs/dbraw/zinc/53/96/27/777539627.db2.gz QQXCWYOBBKQLHK-MGPQQGTHSA-N 1 1 329.391 0.412 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080259948 777620471 /nfs/dbraw/zinc/62/04/71/777620471.db2.gz NXZNTHQOEWHBOK-XOKHGSTOSA-N 1 1 343.402 0.750 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080259948 777620473 /nfs/dbraw/zinc/62/04/73/777620473.db2.gz NXZNTHQOEWHBOK-XOKHGSTOSA-N 1 1 343.402 0.750 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001080413789 777815260 /nfs/dbraw/zinc/81/52/60/777815260.db2.gz QGQONYFNYWPNKZ-ZYHUDNBSSA-N 1 1 341.437 0.073 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080419758 777826496 /nfs/dbraw/zinc/82/64/96/777826496.db2.gz GJCRZCIXHIUPNQ-ZDUSSCGKSA-N 1 1 343.431 0.981 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080421801 777830883 /nfs/dbraw/zinc/83/08/83/777830883.db2.gz QPESDTCYXPVKSL-DZGCQCFKSA-N 1 1 336.436 0.315 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001080439446 777859996 /nfs/dbraw/zinc/85/99/96/777859996.db2.gz WLVKKVXWLVTSIE-WCXIOVBPSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070092513 790575012 /nfs/dbraw/zinc/57/50/12/790575012.db2.gz CEDYVPGRRADWJH-CABCVRRESA-N 1 1 346.435 0.208 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070092513 790575016 /nfs/dbraw/zinc/57/50/16/790575016.db2.gz CEDYVPGRRADWJH-CABCVRRESA-N 1 1 346.435 0.208 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080459451 777891886 /nfs/dbraw/zinc/89/18/86/777891886.db2.gz WUQQVNKVYXRCAM-BQDHKBFISA-N 1 1 326.400 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C2(CF)CC2)C1 ZINC001080508190 777948938 /nfs/dbraw/zinc/94/89/38/777948938.db2.gz LQFIHCUWPDFSQP-HNNXBMFYSA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C2(CF)CC2)C1 ZINC001080508190 777948942 /nfs/dbraw/zinc/94/89/42/777948942.db2.gz LQFIHCUWPDFSQP-HNNXBMFYSA-N 1 1 335.423 0.893 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001043204021 777951440 /nfs/dbraw/zinc/95/14/40/777951440.db2.gz GVGAEZBASXOYPY-UHFFFAOYSA-N 1 1 345.871 0.795 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C1CN(C(=O)CSCC#N)C1 ZINC001080558399 778029304 /nfs/dbraw/zinc/02/93/04/778029304.db2.gz SIHVIAXLVXJESS-OCCSQVGLSA-N 1 1 338.477 0.500 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2C)nn1 ZINC001080578961 778083963 /nfs/dbraw/zinc/08/39/63/778083963.db2.gz IHJFCSFXOZLIPL-YRGRVCCFSA-N 1 1 346.435 0.181 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2C)nn1 ZINC001080578961 778083974 /nfs/dbraw/zinc/08/39/74/778083974.db2.gz IHJFCSFXOZLIPL-YRGRVCCFSA-N 1 1 346.435 0.181 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cncn3C)C[C@H]2C)nn1 ZINC001080584620 778091052 /nfs/dbraw/zinc/09/10/52/778091052.db2.gz HKIPAKKDIJAQCC-UKRRQHHQSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cncn3C)C[C@H]2C)nn1 ZINC001080584620 778091060 /nfs/dbraw/zinc/09/10/60/778091060.db2.gz HKIPAKKDIJAQCC-UKRRQHHQSA-N 1 1 343.435 0.838 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[C@H](CNC(=O)C#CC(C)C)O2 ZINC001068571088 790599822 /nfs/dbraw/zinc/59/98/22/790599822.db2.gz ICNQFTIVTWGCMZ-MRXNPFEDSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001068574852 790611795 /nfs/dbraw/zinc/61/17/95/790611795.db2.gz BUVQSBIPRXUASR-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001043440178 778338560 /nfs/dbraw/zinc/33/85/60/778338560.db2.gz QEWVAVSMTAQERS-HOCLYGCPSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001043440178 778338566 /nfs/dbraw/zinc/33/85/66/778338566.db2.gz QEWVAVSMTAQERS-HOCLYGCPSA-N 1 1 347.459 0.210 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)O2 ZINC001068575921 790615134 /nfs/dbraw/zinc/61/51/34/790615134.db2.gz XOTYXQLDSVRAJM-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001068575918 790615271 /nfs/dbraw/zinc/61/52/71/790615271.db2.gz XOTYXQLDSVRAJM-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 ZINC001068575962 790616650 /nfs/dbraw/zinc/61/66/50/790616650.db2.gz YIIXJXVFFCXEKG-OCCSQVGLSA-N 1 1 345.403 0.227 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3nccnc3C#N)C2)C1 ZINC001043517122 778450193 /nfs/dbraw/zinc/45/01/93/778450193.db2.gz KNRQOAYAORBMCY-UMVBOHGHSA-N 1 1 328.420 0.949 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001043517519 778450954 /nfs/dbraw/zinc/45/09/54/778450954.db2.gz MVZZRFQLBGRPRY-UMVBOHGHSA-N 1 1 328.420 0.949 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001043537092 778491041 /nfs/dbraw/zinc/49/10/41/778491041.db2.gz RNABBBHQWMJQAF-KGLIPLIRSA-N 1 1 337.464 0.618 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043564488 778520712 /nfs/dbraw/zinc/52/07/12/778520712.db2.gz LBEMTOHYGWVKAA-AAVRWANBSA-N 1 1 328.420 0.369 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070111932 790641958 /nfs/dbraw/zinc/64/19/58/790641958.db2.gz GCNUGXUOUWKRPW-MRXNPFEDSA-N 1 1 347.459 0.666 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111510 790640690 /nfs/dbraw/zinc/64/06/90/790640690.db2.gz MMENHTJIBSKVKL-BMFZPTHFSA-N 1 1 333.436 0.868 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111510 790640697 /nfs/dbraw/zinc/64/06/97/790640697.db2.gz MMENHTJIBSKVKL-BMFZPTHFSA-N 1 1 333.436 0.868 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070111912 790642559 /nfs/dbraw/zinc/64/25/59/790642559.db2.gz FLVHSNBDBOVVRZ-GDBMZVCRSA-N 1 1 347.459 0.379 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070112345 790644531 /nfs/dbraw/zinc/64/45/31/790644531.db2.gz VOAQWPCEMGVVOU-UHFFFAOYSA-N 1 1 335.448 0.522 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)C#N)O2 ZINC001068622344 790736392 /nfs/dbraw/zinc/73/63/92/790736392.db2.gz DMJZKTGLURTFSH-OCCSQVGLSA-N 1 1 345.403 0.227 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001042268924 779946302 /nfs/dbraw/zinc/94/63/02/779946302.db2.gz HLLCEFPVFMAMCG-DGCLKSJQSA-N 1 1 339.823 0.715 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001042268924 779946308 /nfs/dbraw/zinc/94/63/08/779946308.db2.gz HLLCEFPVFMAMCG-DGCLKSJQSA-N 1 1 339.823 0.715 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]21 ZINC001042287966 779995028 /nfs/dbraw/zinc/99/50/28/779995028.db2.gz PPRMQGRALKXVPI-SJORKVTESA-N 1 1 342.443 0.806 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(NC(=O)C[N@@H+](C)C2CCC2)CCOCC1 ZINC001070148729 790757290 /nfs/dbraw/zinc/75/72/90/790757290.db2.gz SMDUXRQBYPCXNW-CYBMUJFWSA-N 1 1 336.436 0.412 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(NC(=O)C[N@@H+](C)C2CCC2)CCOCC1 ZINC001070148730 790757696 /nfs/dbraw/zinc/75/76/96/790757696.db2.gz SMDUXRQBYPCXNW-ZDUSSCGKSA-N 1 1 336.436 0.412 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccnc4nc(C)nn43)C[C@H]21 ZINC001042314301 780057578 /nfs/dbraw/zinc/05/75/78/780057578.db2.gz ZXIUYBNRMOGHCH-GOEBONIOSA-N 1 1 338.415 0.992 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]21 ZINC001042317180 780062317 /nfs/dbraw/zinc/06/23/17/780062317.db2.gz WSTYPFXIZOSOHF-HOTGVXAUSA-N 1 1 328.416 0.498 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001042326341 780076921 /nfs/dbraw/zinc/07/69/21/780076921.db2.gz NXILDECAMGAZLM-WBVHZDCISA-N 1 1 325.412 0.619 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001042326341 780076925 /nfs/dbraw/zinc/07/69/25/780076925.db2.gz NXILDECAMGAZLM-WBVHZDCISA-N 1 1 325.412 0.619 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)C[C@H]21 ZINC001042366071 780153032 /nfs/dbraw/zinc/15/30/32/780153032.db2.gz RZSBFCSHTMJRRF-WMLDXEAASA-N 1 1 341.411 0.720 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCCO)[C@@H]3C2)CC1 ZINC001042369290 780157899 /nfs/dbraw/zinc/15/78/99/780157899.db2.gz WBIBNMFTVRGMGQ-SJLPKXTDSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCCO)[C@@H]3C2)CC1 ZINC001042369290 780157901 /nfs/dbraw/zinc/15/79/01/780157901.db2.gz WBIBNMFTVRGMGQ-SJLPKXTDSA-N 1 1 333.476 0.637 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042425816 780242122 /nfs/dbraw/zinc/24/21/22/780242122.db2.gz DXRMQDYBRCVXST-MCIONIFRSA-N 1 1 328.420 0.773 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001070159617 790786725 /nfs/dbraw/zinc/78/67/25/790786725.db2.gz KRLBBMUEVSIEGY-GLQYFDAESA-N 1 1 343.366 0.514 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1C ZINC001042621045 780541340 /nfs/dbraw/zinc/54/13/40/780541340.db2.gz GFBHOSRNPYUCEX-OLMNPRSZSA-N 1 1 337.427 0.992 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1C ZINC001042621045 780541349 /nfs/dbraw/zinc/54/13/49/780541349.db2.gz GFBHOSRNPYUCEX-OLMNPRSZSA-N 1 1 337.427 0.992 20 30 ECEDMO C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001042629638 780553863 /nfs/dbraw/zinc/55/38/63/780553863.db2.gz QOCURFNQNDBDPZ-GKLJAUDBSA-N 1 1 343.431 0.613 20 30 ECEDMO C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001042629638 780553870 /nfs/dbraw/zinc/55/38/70/780553870.db2.gz QOCURFNQNDBDPZ-GKLJAUDBSA-N 1 1 343.431 0.613 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001078960503 780655219 /nfs/dbraw/zinc/65/52/19/780655219.db2.gz WCDLRZHWDPKLQY-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001078964667 780660448 /nfs/dbraw/zinc/66/04/48/780660448.db2.gz UCHDEIBKMLZOIZ-HOTGVXAUSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001042798597 780839192 /nfs/dbraw/zinc/83/91/92/780839192.db2.gz ADGHRMBRZYYUBD-JKSUJKDBSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001042807356 780858033 /nfs/dbraw/zinc/85/80/33/780858033.db2.gz QZOHDDCYISUAID-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO CN(c1cncc(C#N)n1)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001068664109 790835840 /nfs/dbraw/zinc/83/58/40/790835840.db2.gz UBDZOOHEQHIROV-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1cncc(C#N)n1)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001068664109 790835851 /nfs/dbraw/zinc/83/58/51/790835851.db2.gz UBDZOOHEQHIROV-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1nccnc1C#N)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001068664210 790837536 /nfs/dbraw/zinc/83/75/36/790837536.db2.gz ZHPIYRFIHIZLMP-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1nccnc1C#N)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001068664210 790837549 /nfs/dbraw/zinc/83/75/49/790837549.db2.gz ZHPIYRFIHIZLMP-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)CC[N@H+]1C ZINC001042940837 781072832 /nfs/dbraw/zinc/07/28/32/781072832.db2.gz FYACHMYIIBHVFC-LSDHHAIUSA-N 1 1 335.448 0.066 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001042940911 781073032 /nfs/dbraw/zinc/07/30/32/781073032.db2.gz GUDPDFGHSOHWRF-UHFFFAOYSA-N 1 1 346.431 0.355 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 ZINC001042943545 781077741 /nfs/dbraw/zinc/07/77/41/781077741.db2.gz SLGQWDDUGVAZPG-OAHLLOKOSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2nnc(CC)[nH]2)C1 ZINC001042959808 781100847 /nfs/dbraw/zinc/10/08/47/781100847.db2.gz FDIIVPZAPWMCPY-HIFRSBDPSA-N 1 1 344.463 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2nnc(CC)[nH]2)C1 ZINC001042959808 781100852 /nfs/dbraw/zinc/10/08/52/781100852.db2.gz FDIIVPZAPWMCPY-HIFRSBDPSA-N 1 1 344.463 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C[C@H]2CCc3ncnn32)C1 ZINC001042962116 781105061 /nfs/dbraw/zinc/10/50/61/781105061.db2.gz CWTHJGNTNABASV-ZBFHGGJFSA-N 1 1 342.447 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C[C@H]2CCc3ncnn32)C1 ZINC001042962116 781105064 /nfs/dbraw/zinc/10/50/64/781105064.db2.gz CWTHJGNTNABASV-ZBFHGGJFSA-N 1 1 342.447 0.006 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cccn3C)C2)C1=O ZINC001079429416 781110048 /nfs/dbraw/zinc/11/00/48/781110048.db2.gz MBYXVMFJWNSWQT-FMKPAKJESA-N 1 1 330.432 0.862 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cccn3C)C2)C1=O ZINC001079429416 781110051 /nfs/dbraw/zinc/11/00/51/781110051.db2.gz MBYXVMFJWNSWQT-FMKPAKJESA-N 1 1 330.432 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COC(C)C)C1 ZINC001079435995 781115078 /nfs/dbraw/zinc/11/50/78/781115078.db2.gz AEYRBPZPNDPZIX-INIZCTEOSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COC(C)C)C1 ZINC001079435995 781115083 /nfs/dbraw/zinc/11/50/83/781115083.db2.gz AEYRBPZPNDPZIX-INIZCTEOSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COCCC)C1 ZINC001079443689 781125905 /nfs/dbraw/zinc/12/59/05/781125905.db2.gz OALGAAWLVAGTDT-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COCCC)C1 ZINC001079443689 781125907 /nfs/dbraw/zinc/12/59/07/781125907.db2.gz OALGAAWLVAGTDT-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079525829 781220649 /nfs/dbraw/zinc/22/06/49/781220649.db2.gz DZESGQJKOPMPRP-OLMNPRSZSA-N 1 1 342.443 0.825 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001043044270 781237756 /nfs/dbraw/zinc/23/77/56/781237756.db2.gz UYTMXHLIEBMTCV-HNNXBMFYSA-N 1 1 349.475 0.905 20 30 ECEDMO COc1nccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001079594055 781297186 /nfs/dbraw/zinc/29/71/86/781297186.db2.gz WTUUQTHMVWSSJR-IAQYHMDHSA-N 1 1 340.387 0.935 20 30 ECEDMO COc1nccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001079594055 781297193 /nfs/dbraw/zinc/29/71/93/781297193.db2.gz WTUUQTHMVWSSJR-IAQYHMDHSA-N 1 1 340.387 0.935 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079601395 781306899 /nfs/dbraw/zinc/30/68/99/781306899.db2.gz WTAMCPAPWSLYEO-IUODEOHRSA-N 1 1 340.387 0.492 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001077633164 781390349 /nfs/dbraw/zinc/39/03/49/781390349.db2.gz FLAMUYBNNVDHJO-ZFWWWQNUSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)c1 ZINC001077648565 781422680 /nfs/dbraw/zinc/42/26/80/781422680.db2.gz MBARNSKHKSGWGO-QZTJIDSGSA-N 1 1 343.427 0.655 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3coc(S(N)(=O)=O)c3)C2)C1 ZINC001041414273 781458023 /nfs/dbraw/zinc/45/80/23/781458023.db2.gz HESDNHQDVMFYLY-HNNXBMFYSA-N 1 1 337.401 0.098 20 30 ECEDMO C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680337 781497864 /nfs/dbraw/zinc/49/78/64/781497864.db2.gz BAQUVKYQNOXSLY-CPUCHLNUSA-N 1 1 327.444 0.936 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CCN(C(=O)c4cn[nH]n4)C3)C2)C1=O ZINC001041435132 781507639 /nfs/dbraw/zinc/50/76/39/781507639.db2.gz OUQURWIJTFYZTG-WMLDXEAASA-N 1 1 344.419 0.130 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451641 781544823 /nfs/dbraw/zinc/54/48/23/781544823.db2.gz OSPGFLLUAAFEIT-GDBMZVCRSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC001041498967 781634591 /nfs/dbraw/zinc/63/45/91/781634591.db2.gz SIBJKIXJOKNHAG-YOEHRIQHSA-N 1 1 329.404 0.476 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001077746412 781637175 /nfs/dbraw/zinc/63/71/75/781637175.db2.gz QMRVMBGAOBAFCO-GHMZBOCLSA-N 1 1 330.310 0.237 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001077746412 781637180 /nfs/dbraw/zinc/63/71/80/781637180.db2.gz QMRVMBGAOBAFCO-GHMZBOCLSA-N 1 1 330.310 0.237 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2O)nn1 ZINC001077802617 781723319 /nfs/dbraw/zinc/72/33/19/781723319.db2.gz QKIRNVWDGHXNCJ-NVXWUHKLSA-N 1 1 341.415 0.748 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2O)nn1 ZINC001077802617 781723322 /nfs/dbraw/zinc/72/33/22/781723322.db2.gz QKIRNVWDGHXNCJ-NVXWUHKLSA-N 1 1 341.415 0.748 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)cc1C#N ZINC001041616675 781862447 /nfs/dbraw/zinc/86/24/47/781862447.db2.gz MUNQGSZQHNJWNN-GOSISDBHSA-N 1 1 342.399 0.477 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)cc1 ZINC001077900536 781902555 /nfs/dbraw/zinc/90/25/55/781902555.db2.gz DDBHJAMDJBUYSD-HUUCEWRRSA-N 1 1 325.372 0.185 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)cc1 ZINC001077900536 781902560 /nfs/dbraw/zinc/90/25/60/781902560.db2.gz DDBHJAMDJBUYSD-HUUCEWRRSA-N 1 1 325.372 0.185 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCCO1 ZINC001039908147 783257866 /nfs/dbraw/zinc/25/78/66/783257866.db2.gz RPOZRHPWYBLNOV-KBPBESRZSA-N 1 1 344.419 0.154 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040728102 783338997 /nfs/dbraw/zinc/33/89/97/783338997.db2.gz WUIYNIXSQCKEIP-RKVPGOIHSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)CCC(=C)C)C1 ZINC001040047034 783435089 /nfs/dbraw/zinc/43/50/89/783435089.db2.gz IAMCXSKJIZHKBY-QFBILLFUSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)CCC(=C)C)C1 ZINC001040047034 783435094 /nfs/dbraw/zinc/43/50/94/783435094.db2.gz IAMCXSKJIZHKBY-QFBILLFUSA-N 1 1 347.459 0.520 20 30 ECEDMO C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001040095661 783530350 /nfs/dbraw/zinc/53/03/50/783530350.db2.gz IVXHLNZXXGAVMT-CRAIPNDOSA-N 1 1 337.464 0.907 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](O)Cn2cccn2)c1 ZINC001038689012 783565712 /nfs/dbraw/zinc/56/57/12/783565712.db2.gz XXRVCSKEGVRLAI-DLBZAZTESA-N 1 1 339.399 0.125 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070208922 783660293 /nfs/dbraw/zinc/66/02/93/783660293.db2.gz DXKBHWDOMHYXHK-OAGGEKHMSA-N 1 1 345.451 0.406 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC001070254678 783751239 /nfs/dbraw/zinc/75/12/39/783751239.db2.gz STHAECRHULAPFD-HOTGVXAUSA-N 1 1 349.475 0.625 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@H](CC)C2)CC1 ZINC001037981122 783753622 /nfs/dbraw/zinc/75/36/22/783753622.db2.gz CCSKFMHKNLOZIV-GDBMZVCRSA-N 1 1 334.464 0.034 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070332701 783841445 /nfs/dbraw/zinc/84/14/45/783841445.db2.gz QSMTYSOBQVUBSG-IKGGRYGDSA-N 1 1 344.463 0.373 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)cc2F)C1 ZINC001038139064 783908342 /nfs/dbraw/zinc/90/83/42/783908342.db2.gz ZZGLDQBZZUZVKB-NVXWUHKLSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)cc2F)C1 ZINC001038139064 783908346 /nfs/dbraw/zinc/90/83/46/783908346.db2.gz ZZGLDQBZZUZVKB-NVXWUHKLSA-N 1 1 346.406 0.718 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CCCO2)C1 ZINC001070383811 783923827 /nfs/dbraw/zinc/92/38/27/783923827.db2.gz NMALXMBPZGZZHX-JKSUJKDBSA-N 1 1 329.400 0.963 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CCCO2)C1 ZINC001070383811 783923836 /nfs/dbraw/zinc/92/38/36/783923836.db2.gz NMALXMBPZGZZHX-JKSUJKDBSA-N 1 1 329.400 0.963 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ccn[nH]2)C1 ZINC001070384942 783926290 /nfs/dbraw/zinc/92/62/90/783926290.db2.gz SQDLMBSMNAVRKX-AWEZNQCLSA-N 1 1 325.372 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ccn[nH]2)C1 ZINC001070384942 783926294 /nfs/dbraw/zinc/92/62/94/783926294.db2.gz SQDLMBSMNAVRKX-AWEZNQCLSA-N 1 1 325.372 0.821 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001070386577 783932608 /nfs/dbraw/zinc/93/26/08/783932608.db2.gz ZEXAFTAIROYTJF-LSDHHAIUSA-N 1 1 344.415 0.473 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001038173711 783949485 /nfs/dbraw/zinc/94/94/85/783949485.db2.gz QFELRMGMQJYVRK-AWEZNQCLSA-N 1 1 327.392 0.599 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001038173711 783949491 /nfs/dbraw/zinc/94/94/91/783949491.db2.gz QFELRMGMQJYVRK-AWEZNQCLSA-N 1 1 327.392 0.599 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(C)n(C)n2)C1 ZINC001070400158 783968359 /nfs/dbraw/zinc/96/83/59/783968359.db2.gz SDSXEWNJBGXFMB-CYBMUJFWSA-N 1 1 326.404 0.804 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001070400359 783969108 /nfs/dbraw/zinc/96/91/08/783969108.db2.gz WFCCVLOYAQGUIL-TZMCWYRMSA-N 1 1 331.420 0.670 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001070400877 783970006 /nfs/dbraw/zinc/97/00/06/783970006.db2.gz FRNOVRBAVKDALC-TZMCWYRMSA-N 1 1 329.404 0.117 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001070403489 783979198 /nfs/dbraw/zinc/97/91/98/783979198.db2.gz UHHQQVSPIDXNEU-CHWSQXEVSA-N 1 1 331.420 0.527 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2C)C1 ZINC001070404540 783982212 /nfs/dbraw/zinc/98/22/12/783982212.db2.gz IMQWRYRIWJVXPK-GDBMZVCRSA-N 1 1 347.463 0.722 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2C)C1 ZINC001070404832 783982693 /nfs/dbraw/zinc/98/26/93/783982693.db2.gz QIBFYWCEVVFDSW-HOCLYGCPSA-N 1 1 347.463 0.722 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC001038201655 783990515 /nfs/dbraw/zinc/99/05/15/783990515.db2.gz OUHBBLDNZZBBFL-KRWDZBQOSA-N 1 1 326.400 0.727 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001038201655 783990521 /nfs/dbraw/zinc/99/05/21/783990521.db2.gz OUHBBLDNZZBBFL-KRWDZBQOSA-N 1 1 326.400 0.727 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(OC)ncn2)C1 ZINC001070409316 783996152 /nfs/dbraw/zinc/99/61/52/783996152.db2.gz ASNUDYVIPQSOKS-LBPRGKRZSA-N 1 1 340.387 0.561 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001070412860 784007379 /nfs/dbraw/zinc/00/73/79/784007379.db2.gz MDSIIFKBOOPPPH-LBPRGKRZSA-N 1 1 342.403 0.904 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001070413035 784007691 /nfs/dbraw/zinc/00/76/91/784007691.db2.gz RDHIWGFHWDZASC-UKRRQHHQSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2CC)C1 ZINC001070415137 784016161 /nfs/dbraw/zinc/01/61/61/784016161.db2.gz YBPAWVADTYDFGU-GOEBONIOSA-N 1 1 345.447 0.169 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)ccc2=O)C1 ZINC001070415759 784017513 /nfs/dbraw/zinc/01/75/13/784017513.db2.gz BWGKVGLWLPXRIA-ZDUSSCGKSA-N 1 1 339.399 0.461 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)ccc2=O)C1 ZINC001070415759 784017519 /nfs/dbraw/zinc/01/75/19/784017519.db2.gz BWGKVGLWLPXRIA-ZDUSSCGKSA-N 1 1 339.399 0.461 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001070417764 784020758 /nfs/dbraw/zinc/02/07/58/784020758.db2.gz BDYQPWAEWQTGEO-ZIAGYGMSSA-N 1 1 345.447 0.918 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cncn2C)C1 ZINC001070417219 784021156 /nfs/dbraw/zinc/02/11/56/784021156.db2.gz XFPKQEMECIWZDH-CYBMUJFWSA-N 1 1 326.404 0.886 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCO)C2)cn1 ZINC001070432923 784057999 /nfs/dbraw/zinc/05/79/99/784057999.db2.gz VEIJJCLJSKQUJV-CQSZACIVSA-N 1 1 339.399 0.498 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001070435951 784066112 /nfs/dbraw/zinc/06/61/12/784066112.db2.gz WXHMIEAEMNPRBJ-JSGCOSHPSA-N 1 1 346.435 0.544 20 30 ECEDMO CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001070907683 784094057 /nfs/dbraw/zinc/09/40/57/784094057.db2.gz VWXIGJZVCZBWMY-KFWWJZLASA-N 1 1 343.387 0.626 20 30 ECEDMO CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001070907683 784094064 /nfs/dbraw/zinc/09/40/64/784094064.db2.gz VWXIGJZVCZBWMY-KFWWJZLASA-N 1 1 343.387 0.626 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H](OC)C1CC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445923 784097794 /nfs/dbraw/zinc/09/77/94/784097794.db2.gz NQEKXIFBRHICSQ-CABCVRRESA-N 1 1 345.447 0.952 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@]13C[C@H]1COC3)C[C@H]2c1nnc(C)[nH]1 ZINC001070445831 784098343 /nfs/dbraw/zinc/09/83/43/784098343.db2.gz LKYVOSPHFVBCMZ-DEYYWGMASA-N 1 1 343.431 0.563 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913679 784104796 /nfs/dbraw/zinc/10/47/96/784104796.db2.gz TZEQNBMYQSBDAK-BBWFWOEESA-N 1 1 341.411 0.529 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913679 784104799 /nfs/dbraw/zinc/10/47/99/784104799.db2.gz TZEQNBMYQSBDAK-BBWFWOEESA-N 1 1 341.411 0.529 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916692 784110007 /nfs/dbraw/zinc/11/00/07/784110007.db2.gz UFAXVYGNTLHNAP-NFAWXSAZSA-N 1 1 344.371 0.417 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916692 784110009 /nfs/dbraw/zinc/11/00/09/784110009.db2.gz UFAXVYGNTLHNAP-NFAWXSAZSA-N 1 1 344.371 0.417 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)n2cccn2)CC1 ZINC001070940475 784170795 /nfs/dbraw/zinc/17/07/95/784170795.db2.gz IEVCBXMPYJMHJW-OAHLLOKOSA-N 1 1 331.420 0.118 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)n2cccn2)CC1 ZINC001070940475 784170800 /nfs/dbraw/zinc/17/08/00/784170800.db2.gz IEVCBXMPYJMHJW-OAHLLOKOSA-N 1 1 331.420 0.118 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCn2cncn2)CC1 ZINC001070940604 784171537 /nfs/dbraw/zinc/17/15/37/784171537.db2.gz NSIOUCKGLWCLEC-UHFFFAOYSA-N 1 1 348.451 0.285 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC001070947309 784194071 /nfs/dbraw/zinc/19/40/71/784194071.db2.gz QWUVNXWJUJFKAT-GJZGRUSLSA-N 1 1 336.436 0.366 20 30 ECEDMO CO[C@@H](C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951292 784205419 /nfs/dbraw/zinc/20/54/19/784205419.db2.gz IILCYJSCOWPLLU-ZDUSSCGKSA-N 1 1 347.419 0.185 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951292 784205426 /nfs/dbraw/zinc/20/54/26/784205426.db2.gz IILCYJSCOWPLLU-ZDUSSCGKSA-N 1 1 347.419 0.185 20 30 ECEDMO CO[C@@H](C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955119 784216423 /nfs/dbraw/zinc/21/64/23/784216423.db2.gz LDHBMQHOWUMIOO-ZDUSSCGKSA-N 1 1 347.419 0.185 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955119 784216426 /nfs/dbraw/zinc/21/64/26/784216426.db2.gz LDHBMQHOWUMIOO-ZDUSSCGKSA-N 1 1 347.419 0.185 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(C)c2cnc(C#N)cn2)CC1 ZINC001068727259 791007189 /nfs/dbraw/zinc/00/71/89/791007189.db2.gz IWDFLODYSBAAEW-CZUORRHYSA-N 1 1 342.447 0.973 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CCC3CC3)CC2)[nH]1 ZINC001070956361 784221291 /nfs/dbraw/zinc/22/12/91/784221291.db2.gz MEFFLRAHMXOANQ-UHFFFAOYSA-N 1 1 343.431 0.951 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2nccn2CC)CC1 ZINC001070958467 784226960 /nfs/dbraw/zinc/22/69/60/784226960.db2.gz AXHZGFCSCZTMLW-UHFFFAOYSA-N 1 1 333.436 0.743 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2nccn2CC)CC1 ZINC001070958467 784226965 /nfs/dbraw/zinc/22/69/65/784226965.db2.gz AXHZGFCSCZTMLW-UHFFFAOYSA-N 1 1 333.436 0.743 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001070971704 784276605 /nfs/dbraw/zinc/27/66/05/784276605.db2.gz NRFDNFMFRNKIQR-UHFFFAOYSA-N 1 1 333.392 0.022 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2ccn(C)c(=O)c2)CC1 ZINC001070975244 784287774 /nfs/dbraw/zinc/28/77/74/784287774.db2.gz IOYYJTQNZVGVED-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2ccn(C)c(=O)c2)CC1 ZINC001070975244 784287779 /nfs/dbraw/zinc/28/77/79/784287779.db2.gz IOYYJTQNZVGVED-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001070986768 784330452 /nfs/dbraw/zinc/33/04/52/784330452.db2.gz BJYKJQGJKFKCGD-QLPKVWCKSA-N 1 1 335.448 0.496 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2cncnc2)CC1 ZINC001070991336 784341538 /nfs/dbraw/zinc/34/15/38/784341538.db2.gz NLUNFYGVCOJXBZ-HNNXBMFYSA-N 1 1 345.447 0.807 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2cncnc2)CC1 ZINC001070991323 784342062 /nfs/dbraw/zinc/34/20/62/784342062.db2.gz MXKWQNPVXLGORF-OAHLLOKOSA-N 1 1 343.431 0.254 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2cncnc2)CC1 ZINC001070991323 784342070 /nfs/dbraw/zinc/34/20/70/784342070.db2.gz MXKWQNPVXLGORF-OAHLLOKOSA-N 1 1 343.431 0.254 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cccnc2C)CC1 ZINC001070998441 784363398 /nfs/dbraw/zinc/36/33/98/784363398.db2.gz CCOHTLSBBHDIRG-UHFFFAOYSA-N 1 1 342.443 0.606 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cccnc2C)CC1 ZINC001070998441 784363404 /nfs/dbraw/zinc/36/34/04/784363404.db2.gz CCOHTLSBBHDIRG-UHFFFAOYSA-N 1 1 342.443 0.606 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]n2)n1 ZINC001070598048 784409375 /nfs/dbraw/zinc/40/93/75/784409375.db2.gz JXKXQQSHPMGARS-STQMWFEESA-N 1 1 343.391 0.366 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2n[nH]nc2C)n1 ZINC001070598056 784409851 /nfs/dbraw/zinc/40/98/51/784409851.db2.gz KFCJXOLWBKPTHE-STQMWFEESA-N 1 1 343.391 0.284 20 30 ECEDMO CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C)n2)N(CC#N)C1 ZINC001070601120 784417250 /nfs/dbraw/zinc/41/72/50/784417250.db2.gz BMKRDVOXMSFGHW-ZNMIVQPWSA-N 1 1 346.435 0.529 20 30 ECEDMO CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CCC[N@H+]3C)n2)N(CC#N)C1 ZINC001070601120 784417258 /nfs/dbraw/zinc/41/72/58/784417258.db2.gz BMKRDVOXMSFGHW-ZNMIVQPWSA-N 1 1 346.435 0.529 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001071015451 784421073 /nfs/dbraw/zinc/42/10/73/784421073.db2.gz FJXLDJTVKWRQCT-UHFFFAOYSA-N 1 1 342.443 0.791 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001071015451 784421075 /nfs/dbraw/zinc/42/10/75/784421075.db2.gz FJXLDJTVKWRQCT-UHFFFAOYSA-N 1 1 342.443 0.791 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001071015793 784423750 /nfs/dbraw/zinc/42/37/50/784423750.db2.gz UHKBZZQVRHSGTM-UHFFFAOYSA-N 1 1 347.463 0.914 20 30 ECEDMO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NCC#N ZINC001070660693 784515739 /nfs/dbraw/zinc/51/57/39/784515739.db2.gz NNCDOFGWZVYGOI-RBSFLKMASA-N 1 1 330.436 0.312 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001070669864 784526979 /nfs/dbraw/zinc/52/69/79/784526979.db2.gz OEFQXJMDYKCFOJ-MRXNPFEDSA-N 1 1 335.448 0.619 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001070731221 784618553 /nfs/dbraw/zinc/61/85/53/784618553.db2.gz NIUJAYVHSUVLSL-XJFOESAGSA-N 1 1 348.426 0.479 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001070731221 784618558 /nfs/dbraw/zinc/61/85/58/784618558.db2.gz NIUJAYVHSUVLSL-XJFOESAGSA-N 1 1 348.426 0.479 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001070731221 784618564 /nfs/dbraw/zinc/61/85/64/784618564.db2.gz NIUJAYVHSUVLSL-XJFOESAGSA-N 1 1 348.426 0.479 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001070731221 784618571 /nfs/dbraw/zinc/61/85/71/784618571.db2.gz NIUJAYVHSUVLSL-XJFOESAGSA-N 1 1 348.426 0.479 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001070731221 784618577 /nfs/dbraw/zinc/61/85/77/784618577.db2.gz NIUJAYVHSUVLSL-XJFOESAGSA-N 1 1 348.426 0.479 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cncnc1)C[C@@H](C)O2 ZINC001071163921 784636166 /nfs/dbraw/zinc/63/61/66/784636166.db2.gz DHCNLHSRSHRIDK-CRAIPNDOSA-N 1 1 328.416 0.734 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@H](C)O2 ZINC001071169072 784647935 /nfs/dbraw/zinc/64/79/35/784647935.db2.gz LRVVHXPGQHMSBH-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccn3nnnc13)C[C@H](C)O2 ZINC001071172122 784654813 /nfs/dbraw/zinc/65/48/13/784654813.db2.gz XPVXQKLECVFHQB-GUYCJALGSA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070758208 784659239 /nfs/dbraw/zinc/65/92/39/784659239.db2.gz SYMGMJMQYRCXJB-UKRRQHHQSA-N 1 1 334.420 0.890 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@@H](C)O2 ZINC001071176438 784665857 /nfs/dbraw/zinc/66/58/57/784665857.db2.gz VPNCKUAVRZDDPC-CXAGYDPISA-N 1 1 330.388 0.214 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@@H](C)O2 ZINC001071176438 784665863 /nfs/dbraw/zinc/66/58/63/784665863.db2.gz VPNCKUAVRZDDPC-CXAGYDPISA-N 1 1 330.388 0.214 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(C)nc1C)C[C@H](C)O2 ZINC001071177497 784670517 /nfs/dbraw/zinc/67/05/17/784670517.db2.gz AXUUKYCMUXDQDD-KXBFYZLASA-N 1 1 344.459 0.986 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)C[C@H](C)O2 ZINC001071181710 784681471 /nfs/dbraw/zinc/68/14/71/784681471.db2.gz ZTDUIELKCZFGKS-SGTLLEGYSA-N 1 1 346.431 0.878 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(C(N)=O)c1)C[C@H](C)O2 ZINC001071183047 784682328 /nfs/dbraw/zinc/68/23/28/784682328.db2.gz INHTVLORIMRCTB-LIRRHRJNSA-N 1 1 341.411 0.724 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@@H](C)O2 ZINC001071189980 784697123 /nfs/dbraw/zinc/69/71/23/784697123.db2.gz RWVRAMBBBVCKLS-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@@H](C)O2 ZINC001071190354 784698135 /nfs/dbraw/zinc/69/81/35/784698135.db2.gz YCLIAQNFYIGUHE-RDTXWAMCSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@@H](C)O2 ZINC001071190339 784698329 /nfs/dbraw/zinc/69/83/29/784698329.db2.gz XSGTUBLRHPXRKC-PXAZEXFGSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@@H](C)O2 ZINC001071190339 784698332 /nfs/dbraw/zinc/69/83/32/784698332.db2.gz XSGTUBLRHPXRKC-PXAZEXFGSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cc(CC)nn1C)C[C@H](C)O2 ZINC001071192145 784703873 /nfs/dbraw/zinc/70/38/73/784703873.db2.gz MDRJSDFPUSOWLH-HNAYVOBHSA-N 1 1 344.459 0.850 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3nnnn3c1)C[C@H](C)O2 ZINC001071191999 784703898 /nfs/dbraw/zinc/70/38/98/784703898.db2.gz KZJSTHGEIIETNI-GUYCJALGSA-N 1 1 342.403 0.616 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)C1 ZINC001070811112 784707039 /nfs/dbraw/zinc/70/70/39/784707039.db2.gz IKGUNPKSNGSXKW-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)C1 ZINC001070811112 784707043 /nfs/dbraw/zinc/70/70/43/784707043.db2.gz IKGUNPKSNGSXKW-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@@H](C)O2 ZINC001071200532 784722456 /nfs/dbraw/zinc/72/24/56/784722456.db2.gz YNXRDVHKPOLTRG-RDTXWAMCSA-N 1 1 346.431 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)[nH]1)C[C@@H](C)O2 ZINC001071209312 784740891 /nfs/dbraw/zinc/74/08/91/784740891.db2.gz IAFYDVLVUJSTPU-CXAGYDPISA-N 1 1 332.404 0.454 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@@H](C)O2 ZINC001071219723 784766166 /nfs/dbraw/zinc/76/61/66/784766166.db2.gz XNUWOIQEIIXZJR-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC)nn1)C[C@@H](C)O2 ZINC001071226031 784782631 /nfs/dbraw/zinc/78/26/31/784782631.db2.gz UHUUKLHWVVMJSX-PBHICJAKSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(COC)n1)C[C@@H](C)O2 ZINC001071226311 784784632 /nfs/dbraw/zinc/78/46/32/784784632.db2.gz YDKMRWHHNRDLSF-CXAGYDPISA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(COC)n1)C[C@@H](C)O2 ZINC001071226311 784784643 /nfs/dbraw/zinc/78/46/43/784784643.db2.gz YDKMRWHHNRDLSF-CXAGYDPISA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC3CC3)nn1)C[C@H](C)O2 ZINC001071226083 784784845 /nfs/dbraw/zinc/78/48/45/784784845.db2.gz UWDDPEWQOREVML-KBXCAEBGSA-N 1 1 343.431 0.627 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC3CC3)nn1)C[C@H](C)O2 ZINC001071226083 784784853 /nfs/dbraw/zinc/78/48/53/784784853.db2.gz UWDDPEWQOREVML-KBXCAEBGSA-N 1 1 343.431 0.627 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@@H](C)O2 ZINC001071227497 784786793 /nfs/dbraw/zinc/78/67/93/784786793.db2.gz GJCZOWCEJGVREW-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@H](C)O2 ZINC001071227496 784787029 /nfs/dbraw/zinc/78/70/29/784787029.db2.gz GJCZOWCEJGVREW-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@@H](C)O2 ZINC001071231400 784794480 /nfs/dbraw/zinc/79/44/80/784794480.db2.gz QAELHOCPHYOESC-KDOFPFPSSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CCN(C(N)=O)CC1)C[C@H](C)O2 ZINC001071237784 784805758 /nfs/dbraw/zinc/80/57/58/784805758.db2.gz CQYLMASDYJICNN-KBXCAEBGSA-N 1 1 348.447 0.102 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1C(=O)CCC1=O)C[C@@H](C)O2 ZINC001071238009 784807176 /nfs/dbraw/zinc/80/71/76/784807176.db2.gz HESPUQVXELDYRD-KDOFPFPSSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@H](C)O2 ZINC001071239224 784810206 /nfs/dbraw/zinc/81/02/06/784810206.db2.gz YJAQRIYNSWURCQ-KBXCAEBGSA-N 1 1 344.415 0.109 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@H](C)O2 ZINC001071241180 784815302 /nfs/dbraw/zinc/81/53/02/784815302.db2.gz PQFZKYZHBPHZOJ-UGSOOPFHSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OCC)cn1)C[C@H](C)O2 ZINC001071246482 784828546 /nfs/dbraw/zinc/82/85/46/784828546.db2.gz VPBOJTOFSYQTCT-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OCC)cn1)C[C@H](C)O2 ZINC001071246482 784828548 /nfs/dbraw/zinc/82/85/48/784828548.db2.gz VPBOJTOFSYQTCT-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C(=O)C1 ZINC001071267661 784894754 /nfs/dbraw/zinc/89/47/54/784894754.db2.gz NSIINRYIFLGSJT-MRXNPFEDSA-N 1 1 345.447 0.513 20 30 ECEDMO C#CCN1CCN([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C(=O)C1 ZINC001071271899 784904478 /nfs/dbraw/zinc/90/44/78/784904478.db2.gz AELPHKONTMKPNX-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 ZINC001071272789 784907275 /nfs/dbraw/zinc/90/72/75/784907275.db2.gz XHDFNDUFDYGJIY-HZPDHXFCSA-N 1 1 347.463 0.129 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277260 784922298 /nfs/dbraw/zinc/92/22/98/784922298.db2.gz OAQIVHCDCIJEFR-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068754164 791076305 /nfs/dbraw/zinc/07/63/05/791076305.db2.gz YBKBHRPSBURYQR-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CCn1cncn1 ZINC001071431796 785078858 /nfs/dbraw/zinc/07/88/58/785078858.db2.gz VTZRLVIQOYACEN-JSGCOSHPSA-N 1 1 327.392 0.761 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001071808705 785136598 /nfs/dbraw/zinc/13/65/98/785136598.db2.gz KNNDQVPQNSZLET-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071512283 785226795 /nfs/dbraw/zinc/22/67/95/785226795.db2.gz WTGBNTLWCAXJLL-DOTOQJQBSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CC#Cc1ccccc1 ZINC001071512283 785226802 /nfs/dbraw/zinc/22/68/02/785226802.db2.gz WTGBNTLWCAXJLL-DOTOQJQBSA-N 1 1 338.415 0.694 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001068763939 791097102 /nfs/dbraw/zinc/09/71/02/791097102.db2.gz FYPYABLALDDNFS-HUUCEWRRSA-N 1 1 333.432 0.226 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1C ZINC001071548577 785283961 /nfs/dbraw/zinc/28/39/61/785283961.db2.gz HWWUPXJWBBLMGX-HUUCEWRRSA-N 1 1 348.447 0.482 20 30 ECEDMO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071919020 785333062 /nfs/dbraw/zinc/33/30/62/785333062.db2.gz VWUVBEDNYYJZCR-LRDDRELGSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1C ZINC001071967501 785435460 /nfs/dbraw/zinc/43/54/60/785435460.db2.gz MTGZDEPTAMNLPW-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1C ZINC001071645005 785440432 /nfs/dbraw/zinc/44/04/32/785440432.db2.gz FXJMJCGXOWSRAO-RYUDHWBXSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1C ZINC001071645005 785440436 /nfs/dbraw/zinc/44/04/36/785440436.db2.gz FXJMJCGXOWSRAO-RYUDHWBXSA-N 1 1 339.417 0.533 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)CC[C@@H]1C ZINC001071652007 785450703 /nfs/dbraw/zinc/45/07/03/785450703.db2.gz LQRMFRJQPPFOSW-AAEUAGOBSA-N 1 1 328.372 0.628 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)CC[C@@H]1C ZINC001071652007 785450711 /nfs/dbraw/zinc/45/07/11/785450711.db2.gz LQRMFRJQPPFOSW-AAEUAGOBSA-N 1 1 328.372 0.628 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C ZINC001071990137 785488394 /nfs/dbraw/zinc/48/83/94/785488394.db2.gz VDFNHIPFYTULEL-RYUDHWBXSA-N 1 1 328.376 0.024 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCn3cncn3)C2)cn1 ZINC001072001752 785508056 /nfs/dbraw/zinc/50/80/56/785508056.db2.gz GJMIFGRNCWHPQM-RHSMWYFYSA-N 1 1 338.415 0.937 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@H]1C ZINC001071721213 785584017 /nfs/dbraw/zinc/58/40/17/785584017.db2.gz NLDOWZSAADXTAJ-HUUCEWRRSA-N 1 1 341.415 0.488 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCCCC2)CC[C@H]1C ZINC001071735193 785610445 /nfs/dbraw/zinc/61/04/45/785610445.db2.gz HQGBHAJPSMLPHW-HUUCEWRRSA-N 1 1 330.436 0.935 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCCCC2)CC[C@H]1C ZINC001071735193 785610451 /nfs/dbraw/zinc/61/04/51/785610451.db2.gz HQGBHAJPSMLPHW-HUUCEWRRSA-N 1 1 330.436 0.935 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001072097130 785663284 /nfs/dbraw/zinc/66/32/84/785663284.db2.gz IVUFMFYPNXSJED-ZFWWWQNUSA-N 1 1 332.404 0.195 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N(Cc2cn(C)c(=O)n(C)c2=O)C(C)=O)C1 ZINC001072134170 785723750 /nfs/dbraw/zinc/72/37/50/785723750.db2.gz GHUDPCONENKTRB-OAHLLOKOSA-N 1 1 334.420 0.083 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1NC(=O)CSCC#N ZINC001072317619 786030786 /nfs/dbraw/zinc/03/07/86/786030786.db2.gz RRHIUFLAGQDMJK-OCCSQVGLSA-N 1 1 338.477 0.691 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSCC#N)C1 ZINC001072401248 786138310 /nfs/dbraw/zinc/13/83/10/786138310.db2.gz KPBFWPZIAGYJGY-YPMHNXCESA-N 1 1 335.433 0.411 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](C)C1 ZINC001072479220 786247075 /nfs/dbraw/zinc/24/70/75/786247075.db2.gz ULKPPARETVURFQ-WFASDCNBSA-N 1 1 331.420 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C)nc1 ZINC001072479579 786247938 /nfs/dbraw/zinc/24/79/38/786247938.db2.gz YZBFDPVQBNLAGI-WMLDXEAASA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4ncoc4C)C3)C2)C1=O ZINC001072528505 786330576 /nfs/dbraw/zinc/33/05/76/786330576.db2.gz NGZUGWQMDGAENE-AWEZNQCLSA-N 1 1 344.415 0.918 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4c[nH]c(C)n4)C3)C2)C1=O ZINC001072550271 786353107 /nfs/dbraw/zinc/35/31/07/786353107.db2.gz TVWZLZXVMGHVFL-OAHLLOKOSA-N 1 1 343.431 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)c4cnc(C)[nH]4)C3)C2)C1=O ZINC001072550271 786353112 /nfs/dbraw/zinc/35/31/12/786353112.db2.gz TVWZLZXVMGHVFL-OAHLLOKOSA-N 1 1 343.431 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cnc(C)[nH]4)C3)C2)C1=O ZINC001072550271 786353115 /nfs/dbraw/zinc/35/31/15/786353115.db2.gz TVWZLZXVMGHVFL-OAHLLOKOSA-N 1 1 343.431 0.653 20 30 ECEDMO Cc1csc(=O)n1CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001072553040 786357769 /nfs/dbraw/zinc/35/77/69/786357769.db2.gz VRNRNCANTRTSCF-GFCCVEGCSA-N 1 1 334.445 0.912 20 30 ECEDMO COc1ccc(C[N@H+]2CCC3(CN(C(=O)CC(N)=O)C3)C2)cc1C#N ZINC001072565444 786373425 /nfs/dbraw/zinc/37/34/25/786373425.db2.gz ZXBFGEGEQNWGTO-UHFFFAOYSA-N 1 1 342.399 0.477 20 30 ECEDMO CC#CCN1CCO[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001074281184 786580744 /nfs/dbraw/zinc/58/07/44/786580744.db2.gz FKFKDQZRWRZLKG-IRXDYDNUSA-N 1 1 346.431 0.675 20 30 ECEDMO N#CCN1CCO[C@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC001074296727 786621171 /nfs/dbraw/zinc/62/11/71/786621171.db2.gz IGUOYEYAGFZAPF-SJORKVTESA-N 1 1 343.431 0.587 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073567892 786631299 /nfs/dbraw/zinc/63/12/99/786631299.db2.gz FKVXBBDUIDRHNG-JSGCOSHPSA-N 1 1 347.419 0.184 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073567892 786631307 /nfs/dbraw/zinc/63/13/07/786631307.db2.gz FKVXBBDUIDRHNG-JSGCOSHPSA-N 1 1 347.419 0.184 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 ZINC001074302151 786632297 /nfs/dbraw/zinc/63/22/97/786632297.db2.gz MAJPZELJRGCRRV-GJZGRUSLSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 ZINC001074302151 786632304 /nfs/dbraw/zinc/63/23/04/786632304.db2.gz MAJPZELJRGCRRV-GJZGRUSLSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@@H]21 ZINC001074315365 786658511 /nfs/dbraw/zinc/65/85/11/786658511.db2.gz UYVTUJULKODOSD-GJZGRUSLSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@@H]21 ZINC001074315365 786658516 /nfs/dbraw/zinc/65/85/16/786658516.db2.gz UYVTUJULKODOSD-GJZGRUSLSA-N 1 1 334.420 0.920 20 30 ECEDMO C=C(C)CCC(=O)N1CCN(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001073576745 786658999 /nfs/dbraw/zinc/65/89/99/786658999.db2.gz XPJRZGPFLXQTTN-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO Cn1cncc1C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073581053 786674994 /nfs/dbraw/zinc/67/49/94/786674994.db2.gz ROEWBOAZXRQGID-HNNXBMFYSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1cncc1C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073581053 786674998 /nfs/dbraw/zinc/67/49/98/786674998.db2.gz ROEWBOAZXRQGID-HNNXBMFYSA-N 1 1 342.403 0.641 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001073598263 786736551 /nfs/dbraw/zinc/73/65/51/786736551.db2.gz USBMUEVTASXCII-HNNXBMFYSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001073598263 786736557 /nfs/dbraw/zinc/73/65/57/786736557.db2.gz USBMUEVTASXCII-HNNXBMFYSA-N 1 1 341.415 0.869 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001073601041 786746024 /nfs/dbraw/zinc/74/60/24/786746024.db2.gz DWWYYOGCJKKMQV-KGLIPLIRSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001073601041 786746032 /nfs/dbraw/zinc/74/60/32/786746032.db2.gz DWWYYOGCJKKMQV-KGLIPLIRSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001073603964 786754955 /nfs/dbraw/zinc/75/49/55/786754955.db2.gz SPHIFPKGLYFGGF-CQSZACIVSA-N 1 1 333.436 0.939 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnn2CC(F)F)C1 ZINC001073604133 786756285 /nfs/dbraw/zinc/75/62/85/786756285.db2.gz YEAQPOGOACAHCI-CYBMUJFWSA-N 1 1 340.374 0.992 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnn2CC(F)F)C1 ZINC001073604134 786756302 /nfs/dbraw/zinc/75/63/02/786756302.db2.gz YEAQPOGOACAHCI-ZDUSSCGKSA-N 1 1 340.374 0.992 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001073605344 786760193 /nfs/dbraw/zinc/76/01/93/786760193.db2.gz IPTFNVNEYDYQNW-ZDUSSCGKSA-N 1 1 336.440 0.825 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001074364366 786764667 /nfs/dbraw/zinc/76/46/67/786764667.db2.gz WOVGJEQYPAZBND-CVEARBPZSA-N 1 1 346.431 0.755 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001074364366 786764672 /nfs/dbraw/zinc/76/46/72/786764672.db2.gz WOVGJEQYPAZBND-CVEARBPZSA-N 1 1 346.431 0.755 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 ZINC001074369526 786778346 /nfs/dbraw/zinc/77/83/46/786778346.db2.gz XSAFEIJLHKQFAW-CABCVRRESA-N 1 1 334.424 0.331 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 ZINC001074369526 786778353 /nfs/dbraw/zinc/77/83/53/786778353.db2.gz XSAFEIJLHKQFAW-CABCVRRESA-N 1 1 334.424 0.331 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001073618214 786781254 /nfs/dbraw/zinc/78/12/54/786781254.db2.gz XPGQPZUGEPUYBR-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625977 786799114 /nfs/dbraw/zinc/79/91/14/786799114.db2.gz KDMMQGCMOMTSDB-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001073631542 786820807 /nfs/dbraw/zinc/82/08/07/786820807.db2.gz QUKVCPXFBBTODJ-HNNXBMFYSA-N 1 1 346.431 0.818 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001073636929 786836270 /nfs/dbraw/zinc/83/62/70/786836270.db2.gz KWBDHQNJGUPFGP-PBHICJAKSA-N 1 1 343.427 0.907 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001073639516 786844131 /nfs/dbraw/zinc/84/41/31/786844131.db2.gz HQKIADRXABWETB-CQSZACIVSA-N 1 1 345.399 0.697 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 ZINC001074408236 786888678 /nfs/dbraw/zinc/88/86/78/786888678.db2.gz SIBYGNUSMPKRCL-CVEARBPZSA-N 1 1 331.416 0.726 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 ZINC001074408236 786888687 /nfs/dbraw/zinc/88/86/87/786888687.db2.gz SIBYGNUSMPKRCL-CVEARBPZSA-N 1 1 331.416 0.726 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001073660852 786904280 /nfs/dbraw/zinc/90/42/80/786904280.db2.gz QGLWNCIJFSYVTF-CABCVRRESA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001073660852 786904286 /nfs/dbraw/zinc/90/42/86/786904286.db2.gz QGLWNCIJFSYVTF-CABCVRRESA-N 1 1 330.432 0.919 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001073661134 786905781 /nfs/dbraw/zinc/90/57/81/786905781.db2.gz WPJPRXMFUDIGFM-AWEZNQCLSA-N 1 1 332.404 0.643 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(CN(C)C)on2)C1 ZINC001073667766 786918550 /nfs/dbraw/zinc/91/85/50/786918550.db2.gz OADXHTMQNQRKNW-HNNXBMFYSA-N 1 1 334.420 0.580 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(CN(C)C)on2)C1 ZINC001073667766 786918557 /nfs/dbraw/zinc/91/85/57/786918557.db2.gz OADXHTMQNQRKNW-HNNXBMFYSA-N 1 1 334.420 0.580 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073677499 786947841 /nfs/dbraw/zinc/94/78/41/786947841.db2.gz IVIALVMRBNPCPO-CYBMUJFWSA-N 1 1 344.415 0.973 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001073687262 786970179 /nfs/dbraw/zinc/97/01/79/786970179.db2.gz NPFKRVAQKTYXPF-LSDHHAIUSA-N 1 1 336.436 0.008 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nnc3ccccc3n2)C1 ZINC001073696710 786989207 /nfs/dbraw/zinc/98/92/07/786989207.db2.gz MYPONOOWJIVTQH-CYBMUJFWSA-N 1 1 325.372 0.479 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2nnc3ccccc3n2)C1 ZINC001073696710 786989216 /nfs/dbraw/zinc/98/92/16/786989216.db2.gz MYPONOOWJIVTQH-CYBMUJFWSA-N 1 1 325.372 0.479 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)cc1 ZINC001073723315 787062987 /nfs/dbraw/zinc/06/29/87/787062987.db2.gz GJHAQQHCHFWPSD-IAGOWNOFSA-N 1 1 341.411 0.377 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)cc1 ZINC001073723315 787062992 /nfs/dbraw/zinc/06/29/92/787062992.db2.gz GJHAQQHCHFWPSD-IAGOWNOFSA-N 1 1 341.411 0.377 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)cc1 ZINC001073723314 787063601 /nfs/dbraw/zinc/06/36/01/787063601.db2.gz GJHAQQHCHFWPSD-DLBZAZTESA-N 1 1 341.411 0.377 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)cc1 ZINC001073723314 787063609 /nfs/dbraw/zinc/06/36/09/787063609.db2.gz GJHAQQHCHFWPSD-DLBZAZTESA-N 1 1 341.411 0.377 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@@H](CC)C(N)=O)CCCO2)cc1 ZINC001073724494 787064299 /nfs/dbraw/zinc/06/42/99/787064299.db2.gz XIFWSQWTRRFMDM-IRXDYDNUSA-N 1 1 343.427 0.753 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)CCCO2)cc1 ZINC001073724494 787064309 /nfs/dbraw/zinc/06/43/09/787064309.db2.gz XIFWSQWTRRFMDM-IRXDYDNUSA-N 1 1 343.427 0.753 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001073741555 787096150 /nfs/dbraw/zinc/09/61/50/787096150.db2.gz VRNLVAKUNGVTKY-HOCLYGCPSA-N 1 1 330.432 0.365 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001073741555 787096158 /nfs/dbraw/zinc/09/61/58/787096158.db2.gz VRNLVAKUNGVTKY-HOCLYGCPSA-N 1 1 330.432 0.365 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001073745112 787108273 /nfs/dbraw/zinc/10/82/73/787108273.db2.gz VDZSUFFYHLWUQP-GXTWGEPZSA-N 1 1 349.460 0.802 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001073745759 787110036 /nfs/dbraw/zinc/11/00/36/787110036.db2.gz HLKRYVKCRHGTKQ-LBPRGKRZSA-N 1 1 343.387 0.508 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)CC2 ZINC001073745907 787111555 /nfs/dbraw/zinc/11/15/55/787111555.db2.gz KPGTYUKMHALENV-GOEBONIOSA-N 1 1 331.420 0.485 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001073746004 787111760 /nfs/dbraw/zinc/11/17/60/787111760.db2.gz MLYDHZRJMWKUGQ-HUUCEWRRSA-N 1 1 345.447 0.150 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001073747578 787117609 /nfs/dbraw/zinc/11/76/09/787117609.db2.gz NIAPWHYRFTVHOV-KBPBESRZSA-N 1 1 340.493 0.938 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001073748621 787122198 /nfs/dbraw/zinc/12/21/98/787122198.db2.gz IVLIMMOLBZNUDX-ZIAGYGMSSA-N 1 1 331.420 0.455 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001073748621 787122211 /nfs/dbraw/zinc/12/22/11/787122211.db2.gz IVLIMMOLBZNUDX-ZIAGYGMSSA-N 1 1 331.420 0.455 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001073748621 787122216 /nfs/dbraw/zinc/12/22/16/787122216.db2.gz IVLIMMOLBZNUDX-ZIAGYGMSSA-N 1 1 331.420 0.455 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001074511418 787130785 /nfs/dbraw/zinc/13/07/85/787130785.db2.gz HWHYXKBRGAVMBR-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001074511907 787132190 /nfs/dbraw/zinc/13/21/90/787132190.db2.gz BLGUTGYGVUDEOW-UHFFFAOYSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001073763257 787153365 /nfs/dbraw/zinc/15/33/65/787153365.db2.gz ZMOAHGYRGYEAIF-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001073763257 787153366 /nfs/dbraw/zinc/15/33/66/787153366.db2.gz ZMOAHGYRGYEAIF-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001073765769 787159631 /nfs/dbraw/zinc/15/96/31/787159631.db2.gz XGXKHKXWRDULDB-CQSZACIVSA-N 1 1 348.447 0.530 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NCC2(O)CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001074581018 787316094 /nfs/dbraw/zinc/31/60/94/787316094.db2.gz GWYPFHJVWVLTSR-MRXNPFEDSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001073850703 787360346 /nfs/dbraw/zinc/36/03/46/787360346.db2.gz JBJCDGKKMPMNDU-HNNXBMFYSA-N 1 1 343.387 0.373 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001073850703 787360354 /nfs/dbraw/zinc/36/03/54/787360354.db2.gz JBJCDGKKMPMNDU-HNNXBMFYSA-N 1 1 343.387 0.373 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001073853512 787364442 /nfs/dbraw/zinc/36/44/42/787364442.db2.gz HPKVXTKFSGLDNO-GJZGRUSLSA-N 1 1 338.452 0.703 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001073854164 787369452 /nfs/dbraw/zinc/36/94/52/787369452.db2.gz YEZGPMWBSNJRMV-GJZGRUSLSA-N 1 1 336.436 0.150 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001073859268 787377462 /nfs/dbraw/zinc/37/74/62/787377462.db2.gz FSLHXSZOYGFQPO-GDBMZVCRSA-N 1 1 330.432 0.745 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001073874378 787417442 /nfs/dbraw/zinc/41/74/42/787417442.db2.gz ZWRPBLRLQRHMQX-AWEZNQCLSA-N 1 1 344.415 0.285 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001073874378 787417449 /nfs/dbraw/zinc/41/74/49/787417449.db2.gz ZWRPBLRLQRHMQX-AWEZNQCLSA-N 1 1 344.415 0.285 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001073878865 787424094 /nfs/dbraw/zinc/42/40/94/787424094.db2.gz VBQLIQIGABKFBX-MRXNPFEDSA-N 1 1 342.403 0.669 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccnc2N(C)C)C1 ZINC001073889317 787443884 /nfs/dbraw/zinc/44/38/84/787443884.db2.gz NNTFAZZIRVLWHB-OAHLLOKOSA-N 1 1 330.432 0.992 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001073911462 787507978 /nfs/dbraw/zinc/50/79/78/787507978.db2.gz RIAJOXJCTIZGJJ-AWEZNQCLSA-N 1 1 330.388 0.025 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc3nnn(C)c32)C1 ZINC001073914070 787516885 /nfs/dbraw/zinc/51/68/85/787516885.db2.gz IURMBCOGIZFSJC-CYBMUJFWSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3nnn(C)c32)C1 ZINC001073914070 787516889 /nfs/dbraw/zinc/51/68/89/787516889.db2.gz IURMBCOGIZFSJC-CYBMUJFWSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(OCC)cn2)C1 ZINC001073914170 787517143 /nfs/dbraw/zinc/51/71/43/787517143.db2.gz KUGISRBBWDJUSG-AWEZNQCLSA-N 1 1 332.404 0.719 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001073940505 787554162 /nfs/dbraw/zinc/55/41/62/787554162.db2.gz GLBTXGQIZZDIRN-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001074707113 787649691 /nfs/dbraw/zinc/64/96/91/787649691.db2.gz UKNZLIDLIHPLHJ-ZIAGYGMSSA-N 1 1 336.436 0.100 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C1=O ZINC001072721400 788648082 /nfs/dbraw/zinc/64/80/82/788648082.db2.gz QJOFMYUQEYHGEG-INIZCTEOSA-N 1 1 327.428 0.721 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001074974752 788650082 /nfs/dbraw/zinc/65/00/82/788650082.db2.gz IUTYUQZPLGFLMP-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC001072854087 788967844 /nfs/dbraw/zinc/96/78/44/788967844.db2.gz CHUMYIIENHKYQP-UHFFFAOYSA-N 1 1 326.400 0.281 20 30 ECEDMO C=CC[N@@H+]1CCC2(CN(C(=O)c3coc(S(N)(=O)=O)c3)C2)C1 ZINC001072861937 788983264 /nfs/dbraw/zinc/98/32/64/788983264.db2.gz FLRCRWNHFNJZGA-UHFFFAOYSA-N 1 1 325.390 0.261 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)c3coc(S(N)(=O)=O)c3)C2)C1 ZINC001072864934 788989679 /nfs/dbraw/zinc/98/96/79/788989679.db2.gz XKKDUZCFTCEVHF-UHFFFAOYSA-N 1 1 339.417 0.651 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC3(C2)CCN(Cc2nc(=O)n(C)[n-]2)C3)C1 ZINC001072964289 789174218 /nfs/dbraw/zinc/17/42/18/789174218.db2.gz QWWMHWPEIOTOTI-UHFFFAOYSA-N 1 1 331.420 0.499 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3ccc(CCC(N)=O)cc3)C2)C1 ZINC001072968208 789179917 /nfs/dbraw/zinc/17/99/17/789179917.db2.gz ACANTEHTJSPPLL-UHFFFAOYSA-N 1 1 325.412 0.886 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC2CC2)C3)c1 ZINC001072968253 789180248 /nfs/dbraw/zinc/18/02/48/789180248.db2.gz CGXXVTUTMXYNQX-UHFFFAOYSA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC2CC2)C3)c1 ZINC001072968253 789180255 /nfs/dbraw/zinc/18/02/55/789180255.db2.gz CGXXVTUTMXYNQX-UHFFFAOYSA-N 1 1 338.411 0.489 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC001072978367 789201720 /nfs/dbraw/zinc/20/17/20/789201720.db2.gz REJZIWKMXHIAIZ-LSDHHAIUSA-N 1 1 333.432 0.180 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)[C@H](C)C#N)CC2)C1 ZINC001073065353 789377735 /nfs/dbraw/zinc/37/77/35/789377735.db2.gz IEJOGJCZCCIAGZ-KGLIPLIRSA-N 1 1 336.436 0.364 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)[C@H](C)C#N)CC2)C1 ZINC001073065353 789377743 /nfs/dbraw/zinc/37/77/43/789377743.db2.gz IEJOGJCZCCIAGZ-KGLIPLIRSA-N 1 1 336.436 0.364 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)C1 ZINC001073089672 789425907 /nfs/dbraw/zinc/42/59/07/789425907.db2.gz VWISQVXLOGTTCA-HNNXBMFYSA-N 1 1 343.431 0.486 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(=O)NC)C3)cn1 ZINC001073135907 789508229 /nfs/dbraw/zinc/50/82/29/789508229.db2.gz PEILQMINOSBKGC-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ncoc4C)[C@@H]3C2)C1=O ZINC001075600106 789552734 /nfs/dbraw/zinc/55/27/34/789552734.db2.gz JNWVQOKZGDNPQA-RRFJBIMHSA-N 1 1 344.415 0.916 20 30 ECEDMO N#Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)ccc1F ZINC001075632905 789597806 /nfs/dbraw/zinc/59/78/06/789597806.db2.gz UCGZHMRWBOLVQY-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)ccc1F ZINC001075632905 789597815 /nfs/dbraw/zinc/59/78/15/789597815.db2.gz UCGZHMRWBOLVQY-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)c1 ZINC001075658684 789624618 /nfs/dbraw/zinc/62/46/18/789624618.db2.gz OCHMWDMJHNLCRA-DZGCQCFKSA-N 1 1 342.403 0.058 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001073355763 789757362 /nfs/dbraw/zinc/75/73/62/789757362.db2.gz UXTXTLUORWVMMU-JKSUJKDBSA-N 1 1 349.475 0.720 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001073355763 789757369 /nfs/dbraw/zinc/75/73/69/789757369.db2.gz UXTXTLUORWVMMU-JKSUJKDBSA-N 1 1 349.475 0.720 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001073386686 789779519 /nfs/dbraw/zinc/77/95/19/789779519.db2.gz AUBHTVZFRQBYGO-JKSUJKDBSA-N 1 1 349.475 0.720 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001073386686 789779522 /nfs/dbraw/zinc/77/95/22/789779522.db2.gz AUBHTVZFRQBYGO-JKSUJKDBSA-N 1 1 349.475 0.720 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)COc3ccc(C(N)=O)cc3)C2)C1 ZINC001073436776 789839210 /nfs/dbraw/zinc/83/92/10/789839210.db2.gz BDFKDXBBRJSEGE-UHFFFAOYSA-N 1 1 341.411 0.722 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCN([C@@H](C)C(=O)NC)C3)CC1 ZINC001073457478 789864871 /nfs/dbraw/zinc/86/48/71/789864871.db2.gz RZRPAVLNCBZBMB-HNNXBMFYSA-N 1 1 346.475 0.000 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC(Nc2cncc(C#N)n2)C1 ZINC001069719470 789986505 /nfs/dbraw/zinc/98/65/05/789986505.db2.gz MCRYCTKURKSOER-UXUKBGGZSA-N 1 1 330.392 0.080 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC(Nc2cncc(C#N)n2)C1 ZINC001069719470 789986508 /nfs/dbraw/zinc/98/65/08/789986508.db2.gz MCRYCTKURKSOER-UXUKBGGZSA-N 1 1 330.392 0.080 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC(Nc3ccc(C#N)nn3)C2)O1 ZINC001069801558 790041021 /nfs/dbraw/zinc/04/10/21/790041021.db2.gz KPYUBTZMMVOFAU-GALLPEHLSA-N 1 1 344.419 0.469 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC(Nc3ccc(C#N)nn3)C2)O1 ZINC001069801558 790041026 /nfs/dbraw/zinc/04/10/26/790041026.db2.gz KPYUBTZMMVOFAU-GALLPEHLSA-N 1 1 344.419 0.469 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2=CCN(c3ncccc3C#N)CC2)C1 ZINC001069815778 790050108 /nfs/dbraw/zinc/05/01/08/790050108.db2.gz XWWDMMAPUKHTHA-MRXNPFEDSA-N 1 1 341.415 0.537 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(c3ncccc3C#N)CC2)C1 ZINC001069815778 790050110 /nfs/dbraw/zinc/05/01/10/790050110.db2.gz XWWDMMAPUKHTHA-MRXNPFEDSA-N 1 1 341.415 0.537 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)C1 ZINC001069863061 790117428 /nfs/dbraw/zinc/11/74/28/790117428.db2.gz TVVHVSMUHWYKDM-OAHLLOKOSA-N 1 1 344.463 0.816 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](n2ccnn2)C1 ZINC001069895094 790162917 /nfs/dbraw/zinc/16/29/17/790162917.db2.gz BIRZGEJCXXBQEY-NEPJUHHUSA-N 1 1 333.421 0.669 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](n2ccnn2)C1 ZINC001069895094 790162918 /nfs/dbraw/zinc/16/29/18/790162918.db2.gz BIRZGEJCXXBQEY-NEPJUHHUSA-N 1 1 333.421 0.669 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069900715 790169176 /nfs/dbraw/zinc/16/91/76/790169176.db2.gz RRJWXNLJPVIXDY-CVEARBPZSA-N 1 1 343.435 0.791 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069909432 790178760 /nfs/dbraw/zinc/17/87/60/790178760.db2.gz XYRGIIAVQSYGEB-ZNMIVQPWSA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](n2ccnn2)C1 ZINC001069913024 790182272 /nfs/dbraw/zinc/18/22/72/790182272.db2.gz MDJGPIUHSJXDRO-KGLIPLIRSA-N 1 1 344.423 0.215 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(OCC)nc2)[C@@H](n2ccnn2)C1 ZINC001069940816 790216282 /nfs/dbraw/zinc/21/62/82/790216282.db2.gz FAXCZUAOEVNVOW-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OCC)nc2)[C@@H](n2ccnn2)C1 ZINC001069940816 790216284 /nfs/dbraw/zinc/21/62/84/790216284.db2.gz FAXCZUAOEVNVOW-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945332 790223334 /nfs/dbraw/zinc/22/33/34/790223334.db2.gz JNWYZERVIXUEOV-BBWFWOEESA-N 1 1 344.463 0.231 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H](n2ccnn2)C1 ZINC001069951168 790231408 /nfs/dbraw/zinc/23/14/08/790231408.db2.gz AEVNROMLGQWAAV-CVEARBPZSA-N 1 1 349.398 0.833 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H](n2ccnn2)C1 ZINC001069951168 790231413 /nfs/dbraw/zinc/23/14/13/790231413.db2.gz AEVNROMLGQWAAV-CVEARBPZSA-N 1 1 349.398 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)/C(C)=C\C)CO2 ZINC001068808722 791173448 /nfs/dbraw/zinc/17/34/48/791173448.db2.gz KXDZUBNEYWWQEH-BTOPGYKJSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)/C(C)=C\C)CO2 ZINC001068808722 791173452 /nfs/dbraw/zinc/17/34/52/791173452.db2.gz KXDZUBNEYWWQEH-BTOPGYKJSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001068840360 791238542 /nfs/dbraw/zinc/23/85/42/791238542.db2.gz XVNWAQVPFRCFKH-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001068858513 791278551 /nfs/dbraw/zinc/27/85/51/791278551.db2.gz FZBHMNFTYHDDRI-HZPDHXFCSA-N 1 1 347.459 0.474 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068859464 791281141 /nfs/dbraw/zinc/28/11/41/791281141.db2.gz RRAYYNQFYDAQPO-BZUAXINKSA-N 1 1 347.459 0.472 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)C[C@H](NC(=O)C#CC2CC2)CO3)C1 ZINC001068863273 791295255 /nfs/dbraw/zinc/29/52/55/791295255.db2.gz STAXYVFYICJIPK-HOCLYGCPSA-N 1 1 345.443 0.228 20 30 ECEDMO C[N@@H+](CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2)C1CCC1 ZINC001068863392 791295311 /nfs/dbraw/zinc/29/53/11/791295311.db2.gz VVOKUHAVFFHEPG-OAHLLOKOSA-N 1 1 345.443 0.370 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2nccnc2C#N)[C@H]1C ZINC001068921600 791426818 /nfs/dbraw/zinc/42/68/18/791426818.db2.gz SHEPRCHDFNGQQD-CHWSQXEVSA-N 1 1 325.376 0.955 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001068924549 791431974 /nfs/dbraw/zinc/43/19/74/791431974.db2.gz NNGYRLSZJWZEOB-OAHLLOKOSA-N 1 1 344.415 0.481 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@@H]1COC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001069007286 791582579 /nfs/dbraw/zinc/58/25/79/791582579.db2.gz DGZZWPCQNXOXKP-KBPBESRZSA-N 1 1 348.447 0.364 20 30 ECEDMO C[C@@H]1C[C@H](Nc2ccncc2C#N)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119916 791721449 /nfs/dbraw/zinc/72/14/49/791721449.db2.gz ZHISPWULBIGMIR-ZBFHGGJFSA-N 1 1 343.431 0.499 20 30 ECEDMO Cc1cc(N2C[C@H](O)[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nc(C)[nH+]1 ZINC001067661079 791962213 /nfs/dbraw/zinc/96/22/13/791962213.db2.gz PMFPCOBYNKHQQT-ZFWWWQNUSA-N 1 1 340.387 0.520 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](CNc2nccnc2C#N)C1 ZINC001066675255 791966370 /nfs/dbraw/zinc/96/63/70/791966370.db2.gz FWFMVKKQLRFWJC-KGLIPLIRSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNc3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001066686314 791986183 /nfs/dbraw/zinc/98/61/83/791986183.db2.gz NFISSDNCZHHTCS-VHDGCEQUSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@@H+](CC(=O)N1CCO[C@@H](CNc2cncc(C#N)n2)C1)C1CCC1 ZINC001066687498 791990918 /nfs/dbraw/zinc/99/09/18/791990918.db2.gz MBJLMDXBIQVKIC-HNNXBMFYSA-N 1 1 344.419 0.472 20 30 ECEDMO N#Cc1cnc(N2CC[NH+]([C@@H]3CCN(C(=O)CC4CC4)C3)CC2)cn1 ZINC001066696712 792012154 /nfs/dbraw/zinc/01/21/54/792012154.db2.gz RCBSMJQYSLFVFK-MRXNPFEDSA-N 1 1 340.431 0.871 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066736632 792071522 /nfs/dbraw/zinc/07/15/22/792071522.db2.gz RINUXRXYMCPICU-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066736632 792071535 /nfs/dbraw/zinc/07/15/35/792071535.db2.gz RINUXRXYMCPICU-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1CN(C)c1nccnc1C#N ZINC001067762576 792245223 /nfs/dbraw/zinc/24/52/23/792245223.db2.gz DJVZWSAYTKNTNH-AWEZNQCLSA-N 1 1 339.403 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067898163 792441478 /nfs/dbraw/zinc/44/14/78/792441478.db2.gz MTWXISQQVXAMPL-NRXISQOPSA-N 1 1 338.415 0.174 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067898163 792441488 /nfs/dbraw/zinc/44/14/88/792441488.db2.gz MTWXISQQVXAMPL-NRXISQOPSA-N 1 1 338.415 0.174 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1C ZINC001067960992 792508141 /nfs/dbraw/zinc/50/81/41/792508141.db2.gz KYUKGTNSQIXJGC-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC[C@@H]1C ZINC001067961899 792509631 /nfs/dbraw/zinc/50/96/31/792509631.db2.gz ZYPKAWJAKMMOKQ-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001066999122 792539964 /nfs/dbraw/zinc/53/99/64/792539964.db2.gz OMXUNKAVXNGUJI-OAHLLOKOSA-N 1 1 325.453 0.838 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC1(C)C ZINC001068099515 792669150 /nfs/dbraw/zinc/66/91/50/792669150.db2.gz UZJYGIBQNVUFEQ-UONOGXRCSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(c3cncc(C#N)n3)CC2(C)C)C1 ZINC001068113372 792693456 /nfs/dbraw/zinc/69/34/56/792693456.db2.gz IFFUVWZXMZBFOL-TZMCWYRMSA-N 1 1 328.420 0.631 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC001068113907 792694661 /nfs/dbraw/zinc/69/46/61/792694661.db2.gz UWSOUIQSJWAOJF-UKRRQHHQSA-N 1 1 342.447 0.939 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001068159666 792760717 /nfs/dbraw/zinc/76/07/17/792760717.db2.gz RBXPULKEKADMGA-APIJFGDWSA-N 1 1 326.404 0.241 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001068163052 792766831 /nfs/dbraw/zinc/76/68/31/792766831.db2.gz XULXCWHLOIYSCA-JONQDZQNSA-N 1 1 341.415 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001068163052 792766842 /nfs/dbraw/zinc/76/68/42/792766842.db2.gz XULXCWHLOIYSCA-JONQDZQNSA-N 1 1 341.415 0.082 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001068175695 792788167 /nfs/dbraw/zinc/78/81/67/792788167.db2.gz SLOICRRHXOLABG-FPCVCCKLSA-N 1 1 325.416 0.703 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001068175699 792788288 /nfs/dbraw/zinc/78/82/88/792788288.db2.gz SLTQKTCDJNRRHH-OSMBCOQSSA-N 1 1 325.416 0.703 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3ccncc3C#N)CC2)C1 ZINC001067249951 792885906 /nfs/dbraw/zinc/88/59/06/792885906.db2.gz AQFNBGBPSWHLBL-MRXNPFEDSA-N 1 1 343.431 0.499 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3ccncc3C#N)CC2)C1 ZINC001067249951 792885917 /nfs/dbraw/zinc/88/59/17/792885917.db2.gz AQFNBGBPSWHLBL-MRXNPFEDSA-N 1 1 343.431 0.499 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1C ZINC001067402260 793103706 /nfs/dbraw/zinc/10/37/06/793103706.db2.gz VFLCDDBMOFHDLA-OCCSQVGLSA-N 1 1 339.403 0.884 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001068357398 793121102 /nfs/dbraw/zinc/12/11/02/793121102.db2.gz ZJTMAAICVFVJPV-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001067427611 793141905 /nfs/dbraw/zinc/14/19/05/793141905.db2.gz LFZPYXDZKVUJEZ-HOTGVXAUSA-N 1 1 337.464 0.531 20 30 ECEDMO C[C@@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001068380383 793157541 /nfs/dbraw/zinc/15/75/41/793157541.db2.gz GMSQVUYVHNEFQQ-KGLIPLIRSA-N 1 1 342.447 0.903 20 30 ECEDMO C#CCCCCC(=O)N1CCOC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001068384515 793167824 /nfs/dbraw/zinc/16/78/24/793167824.db2.gz YBEYPOUQSKFMBU-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCOC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001068423317 793288759 /nfs/dbraw/zinc/28/87/59/793288759.db2.gz KFFCZAIFDZAARV-UHFFFAOYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068437642 793313333 /nfs/dbraw/zinc/31/33/33/793313333.db2.gz BIJTXSIDKCCVIN-HOTGVXAUSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001267465454 837470120 /nfs/dbraw/zinc/47/01/20/837470120.db2.gz GGMQJEJHOPHAGF-HZPDHXFCSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001267466019 837471193 /nfs/dbraw/zinc/47/11/93/837471193.db2.gz KZFJQKVQJCYZQL-ZDUSSCGKSA-N 1 1 339.417 0.487 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001267466019 837471199 /nfs/dbraw/zinc/47/11/99/837471199.db2.gz KZFJQKVQJCYZQL-ZDUSSCGKSA-N 1 1 339.417 0.487 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)c2cc(CC)[nH]n2)CC1 ZINC001267482421 837538353 /nfs/dbraw/zinc/53/83/53/837538353.db2.gz JTLMEUNNXMSGAA-CYBMUJFWSA-N 1 1 345.447 0.552 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001267487085 837549407 /nfs/dbraw/zinc/54/94/07/837549407.db2.gz AJYDRNMFCKDUBG-DOTOQJQBSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cc(CCC)n[nH]2)C1 ZINC001267552873 837755450 /nfs/dbraw/zinc/75/54/50/837755450.db2.gz VYILDESMYDODRU-CQSZACIVSA-N 1 1 345.447 0.553 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccncc2F)C1 ZINC001267553215 837757539 /nfs/dbraw/zinc/75/75/39/837757539.db2.gz CJQKVWFXFDAYEZ-LBPRGKRZSA-N 1 1 333.367 0.302 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cnnc(C)c2)C1 ZINC001267554736 837760089 /nfs/dbraw/zinc/76/00/89/837760089.db2.gz BLOSTXXVYZXGCV-GJZGRUSLSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cnnc(C)c2)C1 ZINC001267554738 837760106 /nfs/dbraw/zinc/76/01/06/837760106.db2.gz BLOSTXXVYZXGCV-HUUCEWRRSA-N 1 1 343.431 0.365 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001267562719 837774681 /nfs/dbraw/zinc/77/46/81/837774681.db2.gz YXSGRWSTHASQKA-MJBXVCDLSA-N 1 1 336.436 0.482 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cccnc2C)C1 ZINC001267563764 837777520 /nfs/dbraw/zinc/77/75/20/837777520.db2.gz FNXAAXHUPZMADS-HNNXBMFYSA-N 1 1 328.416 0.581 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001267564061 837778844 /nfs/dbraw/zinc/77/88/44/837778844.db2.gz LNOFLNAKISKTKC-RHSMWYFYSA-N 1 1 340.427 0.794 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ocnc2CC)C1 ZINC001267565745 837783063 /nfs/dbraw/zinc/78/30/63/837783063.db2.gz UAWTUBDSEGFEFK-ZDUSSCGKSA-N 1 1 334.420 0.981 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001267566788 837784911 /nfs/dbraw/zinc/78/49/11/837784911.db2.gz HJRPOBNMVUFKBW-GDBMZVCRSA-N 1 1 341.477 0.310 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001267566799 837786052 /nfs/dbraw/zinc/78/60/52/837786052.db2.gz HMCRHABTRSWYGE-GJZGRUSLSA-N 1 1 345.447 0.227 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccnc(C)n2)C1 ZINC001267571905 837805763 /nfs/dbraw/zinc/80/57/63/837805763.db2.gz USZMDWKDJRHYBL-CQSZACIVSA-N 1 1 331.420 0.529 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cccnc2N(C)C)CC1 ZINC001267576398 837830798 /nfs/dbraw/zinc/83/07/98/837830798.db2.gz XJWPBJRSQOYLLZ-UHFFFAOYSA-N 1 1 329.448 0.470 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001266246649 835553238 /nfs/dbraw/zinc/55/32/38/835553238.db2.gz UGPMBILHAIZSCV-UONOGXRCSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001266246649 835553246 /nfs/dbraw/zinc/55/32/46/835553246.db2.gz UGPMBILHAIZSCV-UONOGXRCSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)[C@H](C)N1CC[NH+](CCCNC(=O)c2ccoc2)CC1 ZINC001266256641 835562513 /nfs/dbraw/zinc/56/25/13/835562513.db2.gz DDLBQNGLJZYTED-HNNXBMFYSA-N 1 1 348.447 0.708 20 30 ECEDMO C=CCC1(C(=O)NCCC[NH+]2CCN([C@@H]3CCNC3=O)CC2)CCC1 ZINC001266272051 835593653 /nfs/dbraw/zinc/59/36/53/835593653.db2.gz WCLYHEUWPDMTBV-MRXNPFEDSA-N 1 1 348.491 0.745 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)[C@@]2(C3CCCC3)CCNC2=O)CC1 ZINC001266285858 835621722 /nfs/dbraw/zinc/62/17/22/835621722.db2.gz PUKYWDDRKJFXNU-LJQANCHMSA-N 1 1 346.475 0.050 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@@H](C)Oc2ccccn2)CC1 ZINC001266297963 835649986 /nfs/dbraw/zinc/64/99/86/835649986.db2.gz ZOYZTWOGMQQWTB-MRXNPFEDSA-N 1 1 330.432 0.606 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001266306474 835670864 /nfs/dbraw/zinc/67/08/64/835670864.db2.gz UBXXZZZXEQAEEC-GFCCVEGCSA-N 1 1 335.408 0.151 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001266306474 835670870 /nfs/dbraw/zinc/67/08/70/835670870.db2.gz UBXXZZZXEQAEEC-GFCCVEGCSA-N 1 1 335.408 0.151 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ocnc1C(F)F ZINC001266327066 835705958 /nfs/dbraw/zinc/70/59/58/835705958.db2.gz WFZIZSNOJZXBMI-VIFPVBQESA-N 1 1 328.319 0.412 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ocnc1C(F)F ZINC001266327066 835705964 /nfs/dbraw/zinc/70/59/64/835705964.db2.gz WFZIZSNOJZXBMI-VIFPVBQESA-N 1 1 328.319 0.412 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001266332990 835715029 /nfs/dbraw/zinc/71/50/29/835715029.db2.gz DXWLADTVWLZEJT-UONOGXRCSA-N 1 1 343.493 0.671 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001266333657 835715833 /nfs/dbraw/zinc/71/58/33/835715833.db2.gz RMXNVTKCUVSHQZ-YPMHNXCESA-N 1 1 344.423 0.853 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC001266337858 835722386 /nfs/dbraw/zinc/72/23/86/835722386.db2.gz RSPBXWPVBMDAFB-ILXRZTDVSA-N 1 1 346.493 0.696 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC001266337858 835722389 /nfs/dbraw/zinc/72/23/89/835722389.db2.gz RSPBXWPVBMDAFB-ILXRZTDVSA-N 1 1 346.493 0.696 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)ccc1F ZINC001266338802 835723040 /nfs/dbraw/zinc/72/30/40/835723040.db2.gz DCNLQKDSAHTPDS-CYBMUJFWSA-N 1 1 330.363 0.653 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)ccc1F ZINC001266338802 835723047 /nfs/dbraw/zinc/72/30/47/835723047.db2.gz DCNLQKDSAHTPDS-CYBMUJFWSA-N 1 1 330.363 0.653 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001266342027 835727928 /nfs/dbraw/zinc/72/79/28/835727928.db2.gz OHJLZWUDBQWSQN-IAGOWNOFSA-N 1 1 348.491 0.719 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H](C)Oc2ccccn2)C1=O ZINC001266350977 835748416 /nfs/dbraw/zinc/74/84/16/835748416.db2.gz WSWQCZIZFRBDBU-LSDHHAIUSA-N 1 1 346.431 0.684 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H](C)Oc2ccccn2)C1=O ZINC001266350977 835748422 /nfs/dbraw/zinc/74/84/22/835748422.db2.gz WSWQCZIZFRBDBU-LSDHHAIUSA-N 1 1 346.431 0.684 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001266356292 835760186 /nfs/dbraw/zinc/76/01/86/835760186.db2.gz SLYVTACDYXGTAV-GJZGRUSLSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001266356292 835760190 /nfs/dbraw/zinc/76/01/90/835760190.db2.gz SLYVTACDYXGTAV-GJZGRUSLSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266361905 835772734 /nfs/dbraw/zinc/77/27/34/835772734.db2.gz URVCVQFPKQTIHL-SJLPKXTDSA-N 1 1 337.423 0.757 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266361905 835772744 /nfs/dbraw/zinc/77/27/44/835772744.db2.gz URVCVQFPKQTIHL-SJLPKXTDSA-N 1 1 337.423 0.757 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)COCC2CC2)CC1 ZINC001266366612 835778403 /nfs/dbraw/zinc/77/84/03/835778403.db2.gz WBKPHPSFGICTIV-AWEZNQCLSA-N 1 1 334.420 0.023 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001266399360 835806866 /nfs/dbraw/zinc/80/68/66/835806866.db2.gz SNXLLUJSYZLVOU-HUUCEWRRSA-N 1 1 345.447 0.022 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001266399360 835806872 /nfs/dbraw/zinc/80/68/72/835806872.db2.gz SNXLLUJSYZLVOU-HUUCEWRRSA-N 1 1 345.447 0.022 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCc2cccnc21 ZINC001266411362 835816499 /nfs/dbraw/zinc/81/64/99/835816499.db2.gz SAYRHDMGOMWFJY-GDBMZVCRSA-N 1 1 342.443 0.687 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCc2cccnc21 ZINC001266411362 835816505 /nfs/dbraw/zinc/81/65/05/835816505.db2.gz SAYRHDMGOMWFJY-GDBMZVCRSA-N 1 1 342.443 0.687 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1cc(C)[nH]c1C ZINC001266421567 835827087 /nfs/dbraw/zinc/82/70/87/835827087.db2.gz XOWGBEBNYOGUJS-UHFFFAOYSA-N 1 1 349.435 0.695 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1cc(C)[nH]c1C ZINC001266421567 835827093 /nfs/dbraw/zinc/82/70/93/835827093.db2.gz XOWGBEBNYOGUJS-UHFFFAOYSA-N 1 1 349.435 0.695 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1oncc1C ZINC001266425530 835828870 /nfs/dbraw/zinc/82/88/70/835828870.db2.gz RWWMBBOUDBXQBK-UHFFFAOYSA-N 1 1 337.380 0.047 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1oncc1C ZINC001266425530 835828879 /nfs/dbraw/zinc/82/88/79/835828879.db2.gz RWWMBBOUDBXQBK-UHFFFAOYSA-N 1 1 337.380 0.047 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001266431957 835835406 /nfs/dbraw/zinc/83/54/06/835835406.db2.gz PTQWNHCTJGDFCI-OAHLLOKOSA-N 1 1 330.432 0.537 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001266431957 835835411 /nfs/dbraw/zinc/83/54/11/835835411.db2.gz PTQWNHCTJGDFCI-OAHLLOKOSA-N 1 1 330.432 0.537 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cn(C)nc1C(C)C ZINC001266437645 835840930 /nfs/dbraw/zinc/84/09/30/835840930.db2.gz HMAKXYGGGMKYQA-AWEZNQCLSA-N 1 1 347.463 0.733 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cn(C)nc1C(C)C ZINC001266437645 835840941 /nfs/dbraw/zinc/84/09/41/835840941.db2.gz HMAKXYGGGMKYQA-AWEZNQCLSA-N 1 1 347.463 0.733 20 30 ECEDMO CS[C@H](C)C(=O)N1CCC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001266448052 835852193 /nfs/dbraw/zinc/85/21/93/835852193.db2.gz FRYURRMJIQNYHT-OLZOCXBDSA-N 1 1 326.466 0.548 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001266455917 835859433 /nfs/dbraw/zinc/85/94/33/835859433.db2.gz NQYUHFYQRWQHKD-NVXWUHKLSA-N 1 1 329.444 0.708 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CCC[N@H+]1CCCN1C(=O)CNC1=O ZINC001266461033 835862325 /nfs/dbraw/zinc/86/23/25/835862325.db2.gz ICMCOIXFPFEFQT-CQSZACIVSA-N 1 1 334.420 0.168 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCC(=C)C ZINC001266465580 835867167 /nfs/dbraw/zinc/86/71/67/835867167.db2.gz XYECRCHCWOYUPQ-CQSZACIVSA-N 1 1 336.436 0.935 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC(=C)C ZINC001266465580 835867171 /nfs/dbraw/zinc/86/71/71/835867171.db2.gz XYECRCHCWOYUPQ-CQSZACIVSA-N 1 1 336.436 0.935 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001266468564 835871167 /nfs/dbraw/zinc/87/11/67/835871167.db2.gz SLHPYEGYTBIIFI-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001266469275 835871442 /nfs/dbraw/zinc/87/14/42/835871442.db2.gz IPSRCJAVMMNPCZ-CQSZACIVSA-N 1 1 333.436 0.425 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001266468565 835871787 /nfs/dbraw/zinc/87/17/87/835871787.db2.gz SLHPYEGYTBIIFI-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001266469827 835872730 /nfs/dbraw/zinc/87/27/30/835872730.db2.gz STXHPCHWVDUGQD-GJZGRUSLSA-N 1 1 338.452 0.113 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001266469980 835873590 /nfs/dbraw/zinc/87/35/90/835873590.db2.gz XJRJORMLIRHMLT-UONOGXRCSA-N 1 1 331.482 0.671 20 30 ECEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001266472144 835875513 /nfs/dbraw/zinc/87/55/13/835875513.db2.gz DGBXEEQYIXSYLC-CYBMUJFWSA-N 1 1 331.420 0.936 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001266471960 835875773 /nfs/dbraw/zinc/87/57/73/835875773.db2.gz ZPKDGVDBQWPQQW-CABCVRRESA-N 1 1 330.432 0.964 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001266471960 835875781 /nfs/dbraw/zinc/87/57/81/835875781.db2.gz ZPKDGVDBQWPQQW-CABCVRRESA-N 1 1 330.432 0.964 20 30 ECEDMO C=CCNC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266486766 835887035 /nfs/dbraw/zinc/88/70/35/835887035.db2.gz UEUVHTMGDWUVJF-BPKGMFCQSA-N 1 1 348.491 0.693 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cccn1 ZINC001266489044 835889692 /nfs/dbraw/zinc/88/96/92/835889692.db2.gz VVPQCCXCYAKGHL-CABCVRRESA-N 1 1 331.420 0.164 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cccn1 ZINC001266489044 835889698 /nfs/dbraw/zinc/88/96/98/835889698.db2.gz VVPQCCXCYAKGHL-CABCVRRESA-N 1 1 331.420 0.164 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001266492816 835893312 /nfs/dbraw/zinc/89/33/12/835893312.db2.gz XDZYYTUZIMRZDV-HIFRSBDPSA-N 1 1 329.466 0.615 20 30 ECEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001266496766 835897160 /nfs/dbraw/zinc/89/71/60/835897160.db2.gz YKYDOIROFACRCN-FQUUOJAGSA-N 1 1 334.420 0.614 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001266505865 835906209 /nfs/dbraw/zinc/90/62/09/835906209.db2.gz QTDLUECOULHDHW-STQMWFEESA-N 1 1 332.379 0.410 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001266513542 835923595 /nfs/dbraw/zinc/92/35/95/835923595.db2.gz BKIIJJBQRHMEFN-LSDHHAIUSA-N 1 1 330.432 0.806 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001266513542 835923605 /nfs/dbraw/zinc/92/36/05/835923605.db2.gz BKIIJJBQRHMEFN-LSDHHAIUSA-N 1 1 330.432 0.806 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC001266513836 835924784 /nfs/dbraw/zinc/92/47/84/835924784.db2.gz HRGHDPYCEGLJCX-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)cc1F ZINC001266520839 835934628 /nfs/dbraw/zinc/93/46/28/835934628.db2.gz USLHOLDIBKYIGF-CYBMUJFWSA-N 1 1 332.379 0.826 20 30 ECEDMO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cc1F ZINC001266520839 835934633 /nfs/dbraw/zinc/93/46/33/835934633.db2.gz USLHOLDIBKYIGF-CYBMUJFWSA-N 1 1 332.379 0.826 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001266522997 835937574 /nfs/dbraw/zinc/93/75/74/835937574.db2.gz DVQDAPZLUYLOMW-HUUCEWRRSA-N 1 1 345.447 0.227 20 30 ECEDMO Cc1nc(CCC(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cs1 ZINC001266537838 835957383 /nfs/dbraw/zinc/95/73/83/835957383.db2.gz SXNCKTMELVENOZ-ZDUSSCGKSA-N 1 1 349.460 0.462 20 30 ECEDMO Cc1nc(CCC(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cs1 ZINC001266537838 835957388 /nfs/dbraw/zinc/95/73/88/835957388.db2.gz SXNCKTMELVENOZ-ZDUSSCGKSA-N 1 1 349.460 0.462 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 ZINC001266544397 835965650 /nfs/dbraw/zinc/96/56/50/835965650.db2.gz ANIFXJADYWYIIE-UONOGXRCSA-N 1 1 340.468 0.710 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ncccc2OC)C1 ZINC001266546898 835968615 /nfs/dbraw/zinc/96/86/15/835968615.db2.gz ZCZSSBCHZUTSIM-UONOGXRCSA-N 1 1 346.431 0.833 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c3ncccc23)C1 ZINC001266548695 835970864 /nfs/dbraw/zinc/97/08/64/835970864.db2.gz FRASNSLEJNYLNJ-ZDUSSCGKSA-N 1 1 341.415 0.917 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cc2n(n1)CCCC2)C1CC1 ZINC001266596839 836029159 /nfs/dbraw/zinc/02/91/59/836029159.db2.gz PRHPPQLBIBICPE-UHFFFAOYSA-N 1 1 343.431 0.163 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cc2n(n1)CCCC2)C1CC1 ZINC001266596839 836029171 /nfs/dbraw/zinc/02/91/71/836029171.db2.gz PRHPPQLBIBICPE-UHFFFAOYSA-N 1 1 343.431 0.163 20 30 ECEDMO N#Cc1ccc(C[N@@H+](CCNC(=O)C2(C(N)=O)CC2)C2CC2)s1 ZINC001266606976 836039919 /nfs/dbraw/zinc/03/99/19/836039919.db2.gz KLBCLBWFNWUAGC-UHFFFAOYSA-N 1 1 332.429 0.966 20 30 ECEDMO N#Cc1ccc(C[N@H+](CCNC(=O)C2(C(N)=O)CC2)C2CC2)s1 ZINC001266606976 836039928 /nfs/dbraw/zinc/03/99/28/836039928.db2.gz KLBCLBWFNWUAGC-UHFFFAOYSA-N 1 1 332.429 0.966 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1ncoc1C1CC1)C1CC1 ZINC001266615637 836049916 /nfs/dbraw/zinc/04/99/16/836049916.db2.gz ORCYXZLHISFVPN-UHFFFAOYSA-N 1 1 331.376 0.386 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1ncoc1C1CC1)C1CC1 ZINC001266615637 836049930 /nfs/dbraw/zinc/04/99/30/836049930.db2.gz ORCYXZLHISFVPN-UHFFFAOYSA-N 1 1 331.376 0.386 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1noc2c1COCC2)C1CC1 ZINC001266619310 836055887 /nfs/dbraw/zinc/05/58/87/836055887.db2.gz IBQHRSDVFYNDNJ-UHFFFAOYSA-N 1 1 348.403 0.244 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1noc2c1COCC2)C1CC1 ZINC001266619310 836055894 /nfs/dbraw/zinc/05/58/94/836055894.db2.gz IBQHRSDVFYNDNJ-UHFFFAOYSA-N 1 1 348.403 0.244 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cnn(C)c1C1CC1)C1CC1 ZINC001266622079 836059024 /nfs/dbraw/zinc/05/90/24/836059024.db2.gz OXNZVOGBRDHAST-UHFFFAOYSA-N 1 1 343.431 0.241 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cnn(C)c1C1CC1)C1CC1 ZINC001266622079 836059036 /nfs/dbraw/zinc/05/90/36/836059036.db2.gz OXNZVOGBRDHAST-UHFFFAOYSA-N 1 1 343.431 0.241 20 30 ECEDMO C#CCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)CCCCC1 ZINC001266640226 836077445 /nfs/dbraw/zinc/07/74/45/836077445.db2.gz QFDQMDHBCKETNL-HDJSIYSDSA-N 1 1 330.436 0.921 20 30 ECEDMO C#CCOCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC(C)C ZINC001266648383 836083986 /nfs/dbraw/zinc/08/39/86/836083986.db2.gz YEDQLTAVOMCGJH-MQVJKMGUSA-N 1 1 335.448 0.663 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)COCc2nncn2C)C1 ZINC001266664239 836102016 /nfs/dbraw/zinc/10/20/16/836102016.db2.gz YICVZTIVDHEKFS-CABCVRRESA-N 1 1 333.436 0.831 20 30 ECEDMO C#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2ccnn2CC(F)F)C1 ZINC001279478554 836135869 /nfs/dbraw/zinc/13/58/69/836135869.db2.gz AKHJSCQVXRTMPI-OAHLLOKOSA-N 1 1 326.347 0.338 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccnn2CC(F)F)C1 ZINC001279478554 836135873 /nfs/dbraw/zinc/13/58/73/836135873.db2.gz AKHJSCQVXRTMPI-OAHLLOKOSA-N 1 1 326.347 0.338 20 30 ECEDMO C[C@](O)(CC(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001266746802 836231881 /nfs/dbraw/zinc/23/18/81/836231881.db2.gz JJSHKHQIQQQNDZ-DYVFJYSZSA-N 1 1 336.436 0.005 20 30 ECEDMO C[C@](O)(CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001266746802 836231894 /nfs/dbraw/zinc/23/18/94/836231894.db2.gz JJSHKHQIQQQNDZ-DYVFJYSZSA-N 1 1 336.436 0.005 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001266747815 836235587 /nfs/dbraw/zinc/23/55/87/836235587.db2.gz XNLXMXDEIRUPGT-LSDHHAIUSA-N 1 1 345.447 0.918 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC(C)(C)O)C1 ZINC001266749293 836237359 /nfs/dbraw/zinc/23/73/59/836237359.db2.gz GPSVKRUPZQUROL-KGLIPLIRSA-N 1 1 325.453 0.666 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CCC[N@H+](Cc2c(C)nnn2CC)C1 ZINC001266749005 836238100 /nfs/dbraw/zinc/23/81/00/836238100.db2.gz CDJJRJSPMCQAQW-MRXNPFEDSA-N 1 1 347.463 0.975 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001266751187 836242706 /nfs/dbraw/zinc/24/27/06/836242706.db2.gz CTJBHCQKANZHGE-JKSUJKDBSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001266751187 836242710 /nfs/dbraw/zinc/24/27/10/836242710.db2.gz CTJBHCQKANZHGE-JKSUJKDBSA-N 1 1 336.480 0.601 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccns2)C1 ZINC001266752081 836244149 /nfs/dbraw/zinc/24/41/49/836244149.db2.gz NTTUEZDJKVGXTJ-QWHCGFSZSA-N 1 1 334.445 0.723 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001266802389 836325582 /nfs/dbraw/zinc/32/55/82/836325582.db2.gz ZWGMVYGZZVQLOF-CVEARBPZSA-N 1 1 336.480 0.601 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001266833053 836356766 /nfs/dbraw/zinc/35/67/66/836356766.db2.gz PBXMJPCMQDWWFV-CVEARBPZSA-N 1 1 335.448 0.666 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001266833053 836356775 /nfs/dbraw/zinc/35/67/75/836356775.db2.gz PBXMJPCMQDWWFV-CVEARBPZSA-N 1 1 335.448 0.666 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC(N)=O ZINC001266840645 836366289 /nfs/dbraw/zinc/36/62/89/836366289.db2.gz YPHXCWCPSBGWTL-HNNXBMFYSA-N 1 1 344.415 0.913 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1CNC(=O)CC(N)=O ZINC001266840645 836366294 /nfs/dbraw/zinc/36/62/94/836366294.db2.gz YPHXCWCPSBGWTL-HNNXBMFYSA-N 1 1 344.415 0.913 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC(=O)NC(C)C ZINC001266843997 836370984 /nfs/dbraw/zinc/37/09/84/836370984.db2.gz FFGSOBIUIDMHOO-IRXDYDNUSA-N 1 1 348.491 0.579 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC(=O)NC(C)C ZINC001266843997 836370985 /nfs/dbraw/zinc/37/09/85/836370985.db2.gz FFGSOBIUIDMHOO-IRXDYDNUSA-N 1 1 348.491 0.579 20 30 ECEDMO COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)CCCC(=O)N(C)C ZINC001266855355 836389625 /nfs/dbraw/zinc/38/96/25/836389625.db2.gz AZOIEBRJINTGFX-INIZCTEOSA-N 1 1 337.464 0.865 20 30 ECEDMO COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)CCCC(=O)N(C)C ZINC001266855355 836389639 /nfs/dbraw/zinc/38/96/39/836389639.db2.gz AZOIEBRJINTGFX-INIZCTEOSA-N 1 1 337.464 0.865 20 30 ECEDMO CCCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC#CCOC)nn1 ZINC001266858098 836396074 /nfs/dbraw/zinc/39/60/74/836396074.db2.gz RDZFCCXNSXYDGN-HNNXBMFYSA-N 1 1 333.436 0.922 20 30 ECEDMO CCCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC#CCOC)nn1 ZINC001266858098 836396084 /nfs/dbraw/zinc/39/60/84/836396084.db2.gz RDZFCCXNSXYDGN-HNNXBMFYSA-N 1 1 333.436 0.922 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)(C)O ZINC001266885691 836434074 /nfs/dbraw/zinc/43/40/74/836434074.db2.gz GDHZISQRCABTSU-HOTGVXAUSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCNS(C)(=O)=O)C1 ZINC001266891905 836440240 /nfs/dbraw/zinc/44/02/40/836440240.db2.gz RZZYNTXSZMTVHY-UONOGXRCSA-N 1 1 329.466 0.166 20 30 ECEDMO Cc1ccncc1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266893162 836442610 /nfs/dbraw/zinc/44/26/10/836442610.db2.gz QDCRWONCDQLBNS-GJZGRUSLSA-N 1 1 343.431 0.860 20 30 ECEDMO Cc1ccncc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266893162 836442622 /nfs/dbraw/zinc/44/26/22/836442622.db2.gz QDCRWONCDQLBNS-GJZGRUSLSA-N 1 1 343.431 0.860 20 30 ECEDMO CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001266892419 836442943 /nfs/dbraw/zinc/44/29/43/836442943.db2.gz VPQIRRFKZSEKDW-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001266894297 836445714 /nfs/dbraw/zinc/44/57/14/836445714.db2.gz HWKMUWIKQQAISF-KBPBESRZSA-N 1 1 334.420 0.329 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CC=CCC1 ZINC001266901009 836454235 /nfs/dbraw/zinc/45/42/35/836454235.db2.gz DTBYLHVLEKGLHY-DBDOFBCQSA-N 1 1 329.444 0.917 20 30 ECEDMO C[C@H](CNC(=O)[C@@H]1CCCNC1=O)[NH2+]Cc1cc(F)ccc1C#N ZINC001266948119 836511344 /nfs/dbraw/zinc/51/13/44/836511344.db2.gz CTJLGWOMIKKRSB-IAQYHMDHSA-N 1 1 332.379 0.818 20 30 ECEDMO C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001267002164 836595442 /nfs/dbraw/zinc/59/54/42/836595442.db2.gz FUMPZTKXTMQBNG-ZDUSSCGKSA-N 1 1 349.435 0.260 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2ccnn2CC)C1 ZINC001267104796 836781484 /nfs/dbraw/zinc/78/14/84/836781484.db2.gz FSXIRLHWSZRIDD-GJZGRUSLSA-N 1 1 345.447 0.577 20 30 ECEDMO Cc1ccncc1CC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267105393 836783029 /nfs/dbraw/zinc/78/30/29/836783029.db2.gz ZTNCTBUNDBIHEB-MRXNPFEDSA-N 1 1 343.431 0.495 20 30 ECEDMO Cc1ccncc1CC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267105393 836783038 /nfs/dbraw/zinc/78/30/38/836783038.db2.gz ZTNCTBUNDBIHEB-MRXNPFEDSA-N 1 1 343.431 0.495 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@H]([N@H+](C)CCNS(C)(=O)=O)C1 ZINC001267106551 836786221 /nfs/dbraw/zinc/78/62/21/836786221.db2.gz RKHLTZFVBAJELH-AWEZNQCLSA-N 1 1 329.466 0.262 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@H]([N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001267106551 836786224 /nfs/dbraw/zinc/78/62/24/836786224.db2.gz RKHLTZFVBAJELH-AWEZNQCLSA-N 1 1 329.466 0.262 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)CCC(C)(F)F)C1 ZINC001267107618 836789801 /nfs/dbraw/zinc/78/98/01/836789801.db2.gz IIDGYQHLYOIMBA-GFCCVEGCSA-N 1 1 330.379 0.984 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)CCC(C)(F)F)C1 ZINC001267107618 836789805 /nfs/dbraw/zinc/78/98/05/836789805.db2.gz IIDGYQHLYOIMBA-GFCCVEGCSA-N 1 1 330.379 0.984 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(OC)o2)C1 ZINC001267113735 836803680 /nfs/dbraw/zinc/80/36/80/836803680.db2.gz RFJWEWDOZWGBHH-ZIAGYGMSSA-N 1 1 347.415 0.963 20 30 ECEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267114342 836804778 /nfs/dbraw/zinc/80/47/78/836804778.db2.gz CVQNURKUBCQRSC-KBPBESRZSA-N 1 1 336.436 0.816 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)Cn1cnnn1 ZINC001267186008 836940602 /nfs/dbraw/zinc/94/06/02/836940602.db2.gz XEZBXXYYCJTWQG-UHFFFAOYSA-N 1 1 332.795 0.426 20 30 ECEDMO C[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)Cn1cnnn1 ZINC001267186008 836940606 /nfs/dbraw/zinc/94/06/06/836940606.db2.gz XEZBXXYYCJTWQG-UHFFFAOYSA-N 1 1 332.795 0.426 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)SC ZINC001267187563 836943469 /nfs/dbraw/zinc/94/34/69/836943469.db2.gz YJMFDTFAPYAQHK-WDEREUQCSA-N 1 1 330.454 0.186 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)SC ZINC001267187563 836943482 /nfs/dbraw/zinc/94/34/82/836943482.db2.gz YJMFDTFAPYAQHK-WDEREUQCSA-N 1 1 330.454 0.186 20 30 ECEDMO C#CCNC(=O)CN(C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001267195918 836963375 /nfs/dbraw/zinc/96/33/75/836963375.db2.gz SVIVFKLGUCTJLR-MRXNPFEDSA-N 1 1 348.491 0.438 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001267213186 837002563 /nfs/dbraw/zinc/00/25/63/837002563.db2.gz CHKVCDMFICLJSY-ZIAGYGMSSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001267213186 837002575 /nfs/dbraw/zinc/00/25/75/837002575.db2.gz CHKVCDMFICLJSY-ZIAGYGMSSA-N 1 1 338.452 0.873 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccnc1OCC ZINC001267229545 837030296 /nfs/dbraw/zinc/03/02/96/837030296.db2.gz JVCYFIDZPYCNND-ZDUSSCGKSA-N 1 1 332.404 0.280 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccnc1OCC ZINC001267229545 837030306 /nfs/dbraw/zinc/03/03/06/837030306.db2.gz JVCYFIDZPYCNND-ZDUSSCGKSA-N 1 1 332.404 0.280 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H](OC)C1CCCCC1 ZINC001267234871 837041013 /nfs/dbraw/zinc/04/10/13/837041013.db2.gz RBBYUMSIAFNTJR-GOEBONIOSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H](OC)C1CCCCC1 ZINC001267234871 837041025 /nfs/dbraw/zinc/04/10/25/837041025.db2.gz RBBYUMSIAFNTJR-GOEBONIOSA-N 1 1 337.464 0.768 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCCNC(=O)[C@@H](C)C#N)C(C)C ZINC001267239968 837047350 /nfs/dbraw/zinc/04/73/50/837047350.db2.gz WICHSZGOEPALOT-STQMWFEESA-N 1 1 339.440 0.597 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC(C)C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001267241514 837049643 /nfs/dbraw/zinc/04/96/43/837049643.db2.gz ZTEYNXNPOWMGNU-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC(C)C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001267241514 837049655 /nfs/dbraw/zinc/04/96/55/837049655.db2.gz ZTEYNXNPOWMGNU-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2cc(OC)ncn2)C1=O ZINC001267242259 837050463 /nfs/dbraw/zinc/05/04/63/837050463.db2.gz ZERXDQXOHCKSCC-AWEZNQCLSA-N 1 1 347.419 0.324 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1ccc(C)nc1OC ZINC001267250958 837068644 /nfs/dbraw/zinc/06/86/44/837068644.db2.gz POOGQQJLLCKZQG-UHFFFAOYSA-N 1 1 332.404 0.200 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ccc(C)nc1OC ZINC001267250958 837068650 /nfs/dbraw/zinc/06/86/50/837068650.db2.gz POOGQQJLLCKZQG-UHFFFAOYSA-N 1 1 332.404 0.200 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC001267268165 837107706 /nfs/dbraw/zinc/10/77/06/837107706.db2.gz WWZKEVFBSRVFDA-AWEZNQCLSA-N 1 1 333.432 0.766 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001267271624 837113793 /nfs/dbraw/zinc/11/37/93/837113793.db2.gz YZYVMXVHXSVKHF-CVEARBPZSA-N 1 1 330.432 0.676 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[C@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001267274239 837116240 /nfs/dbraw/zinc/11/62/40/837116240.db2.gz MELYDFYXHSRBBI-JKSUJKDBSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cncnc1 ZINC001267276409 837120289 /nfs/dbraw/zinc/12/02/89/837120289.db2.gz MXZZZGPDHUIJLM-GDBMZVCRSA-N 1 1 343.431 0.128 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1cncnc1 ZINC001267276409 837120296 /nfs/dbraw/zinc/12/02/96/837120296.db2.gz MXZZZGPDHUIJLM-GDBMZVCRSA-N 1 1 343.431 0.128 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(OC)n1 ZINC001267279450 837124989 /nfs/dbraw/zinc/12/49/89/837124989.db2.gz FPHIXVKQSJJHIY-ZIAGYGMSSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(OC)n1 ZINC001267279450 837124998 /nfs/dbraw/zinc/12/49/98/837124998.db2.gz FPHIXVKQSJJHIY-ZIAGYGMSSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cncn1C ZINC001267280739 837129109 /nfs/dbraw/zinc/12/91/09/837129109.db2.gz GGVLMUQDZKQEME-GOEBONIOSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1cncn1C ZINC001267280739 837129110 /nfs/dbraw/zinc/12/91/10/837129110.db2.gz GGVLMUQDZKQEME-GOEBONIOSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1cccc(OC)c1 ZINC001267282233 837130327 /nfs/dbraw/zinc/13/03/27/837130327.db2.gz VFCMRDSJRCSPRQ-INIZCTEOSA-N 1 1 343.427 0.568 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cccc(OC)c1 ZINC001267282233 837130335 /nfs/dbraw/zinc/13/03/35/837130335.db2.gz VFCMRDSJRCSPRQ-INIZCTEOSA-N 1 1 343.427 0.568 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001267285882 837137349 /nfs/dbraw/zinc/13/73/49/837137349.db2.gz QABWDRGYPCGWJZ-QWHCGFSZSA-N 1 1 347.419 0.467 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267291673 837141327 /nfs/dbraw/zinc/14/13/27/837141327.db2.gz JZWAPNIPRLIQQF-UKRRQHHQSA-N 1 1 332.466 0.186 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267291673 837141332 /nfs/dbraw/zinc/14/13/32/837141332.db2.gz JZWAPNIPRLIQQF-UKRRQHHQSA-N 1 1 332.466 0.186 20 30 ECEDMO C#CCCCCCC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267298400 837160335 /nfs/dbraw/zinc/16/03/35/837160335.db2.gz MLWRTNMQAUUVKI-HUUCEWRRSA-N 1 1 333.432 0.813 20 30 ECEDMO C#CCCCCCC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267298969 837160926 /nfs/dbraw/zinc/16/09/26/837160926.db2.gz UNHNJWAKEZZESN-ZIAGYGMSSA-N 1 1 336.436 0.592 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cn2nc(C)cc2C)C1 ZINC001267297775 837160969 /nfs/dbraw/zinc/16/09/69/837160969.db2.gz JTEAZXDMDOEVIE-HOTGVXAUSA-N 1 1 347.463 0.629 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2sc(C)nc2C)C1 ZINC001267298519 837162684 /nfs/dbraw/zinc/16/26/84/837162684.db2.gz PQWOGMRXMDJHRD-AWEZNQCLSA-N 1 1 348.472 0.490 20 30 ECEDMO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267299870 837164030 /nfs/dbraw/zinc/16/40/30/837164030.db2.gz GRYVIRAPVMJCSZ-AWEZNQCLSA-N 1 1 334.420 0.170 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2c(C)onc2CC)C1 ZINC001267304632 837173152 /nfs/dbraw/zinc/17/31/52/837173152.db2.gz AJCQDCMZSVDMIV-CYBMUJFWSA-N 1 1 332.404 0.347 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2oc(CC)nc2C)C1 ZINC001267306987 837179402 /nfs/dbraw/zinc/17/94/02/837179402.db2.gz KPYDCBKNOKGAGK-KBPBESRZSA-N 1 1 346.431 0.735 20 30 ECEDMO C#CCC[N@@H+](CCC)CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001267314733 837190456 /nfs/dbraw/zinc/19/04/56/837190456.db2.gz BNGILRBYNWOFJB-UHFFFAOYSA-N 1 1 326.462 0.663 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1cnn2c1CCC2 ZINC001267315091 837191279 /nfs/dbraw/zinc/19/12/79/837191279.db2.gz YBQUAPSRUGTSOC-UHFFFAOYSA-N 1 1 331.420 0.021 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1cnn2c1CCC2 ZINC001267315091 837191284 /nfs/dbraw/zinc/19/12/84/837191284.db2.gz YBQUAPSRUGTSOC-UHFFFAOYSA-N 1 1 331.420 0.021 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1n[nH]c(C)c1C)C1CC1 ZINC001267323200 837199790 /nfs/dbraw/zinc/19/97/90/837199790.db2.gz IUTIUTJKKSQDKC-ZDUSSCGKSA-N 1 1 331.420 0.359 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1n[nH]c(C)c1C)C1CC1 ZINC001267323200 837199794 /nfs/dbraw/zinc/19/97/94/837199794.db2.gz IUTIUTJKKSQDKC-ZDUSSCGKSA-N 1 1 331.420 0.359 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)COc1c(C)nn(C)c1C)C1CC1 ZINC001267325318 837201227 /nfs/dbraw/zinc/20/12/27/837201227.db2.gz GWSGKBREWRQDJT-UHFFFAOYSA-N 1 1 348.447 0.646 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)Cc1c(C)nn(C)c1C)C1CC1 ZINC001267330810 837211883 /nfs/dbraw/zinc/21/18/83/837211883.db2.gz NOQGMEUIFJFMHN-UHFFFAOYSA-N 1 1 332.448 0.810 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@@H]1CCc2cnn(C)c2C1)C1CC1 ZINC001267331983 837212385 /nfs/dbraw/zinc/21/23/85/837212385.db2.gz YFQKDORXKMIJPT-OAHLLOKOSA-N 1 1 344.459 0.755 20 30 ECEDMO CC(C)CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001267578818 837839106 /nfs/dbraw/zinc/83/91/06/837839106.db2.gz RNEJDVJKJWPQIW-CQSZACIVSA-N 1 1 340.493 0.796 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001267582037 837847739 /nfs/dbraw/zinc/84/77/39/837847739.db2.gz VFURRUWPVTXOIM-KBPBESRZSA-N 1 1 341.415 0.418 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC001267582682 837849264 /nfs/dbraw/zinc/84/92/64/837849264.db2.gz YRRMLQNPTKNPBU-APWZRJJASA-N 1 1 347.459 0.993 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccnc(C)c2)C1 ZINC001267583800 837852084 /nfs/dbraw/zinc/85/20/84/837852084.db2.gz SGKXNINJBSWQET-OAHLLOKOSA-N 1 1 328.416 0.581 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001267584865 837858454 /nfs/dbraw/zinc/85/84/54/837858454.db2.gz KCPAGINWSWNWNC-AWEZNQCLSA-N 1 1 346.431 0.081 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)C[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001267586909 837867870 /nfs/dbraw/zinc/86/78/70/837867870.db2.gz BZWKFSFZDVPJTR-MSOLQXFVSA-N 1 1 339.439 0.955 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC)C2)c1 ZINC001267590972 837879893 /nfs/dbraw/zinc/87/98/93/837879893.db2.gz YMTBHKUDUQJTME-ZFWWWQNUSA-N 1 1 328.416 0.591 20 30 ECEDMO C=CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267593581 837893256 /nfs/dbraw/zinc/89/32/56/837893256.db2.gz NVDVHYJJXVYMKL-HOTGVXAUSA-N 1 1 336.480 0.411 20 30 ECEDMO C=CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267593581 837893266 /nfs/dbraw/zinc/89/32/66/837893266.db2.gz NVDVHYJJXVYMKL-HOTGVXAUSA-N 1 1 336.480 0.411 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2cnn3cc[nH]c23)C1 ZINC001267596148 837900564 /nfs/dbraw/zinc/90/05/64/837900564.db2.gz XKEOQARDGBGIMH-AWEZNQCLSA-N 1 1 329.404 0.754 20 30 ECEDMO C=CCCOCC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCCN(C)C2=O)C1 ZINC001267597096 837903107 /nfs/dbraw/zinc/90/31/07/837903107.db2.gz XXUDJVTYQVAVIB-HZPDHXFCSA-N 1 1 337.464 0.980 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)CSCC#N)CC1 ZINC001267597776 837905448 /nfs/dbraw/zinc/90/54/48/837905448.db2.gz IISULVWMLVHIDR-UHFFFAOYSA-N 1 1 337.449 0.053 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC001267598413 837906347 /nfs/dbraw/zinc/90/63/47/837906347.db2.gz CSXLBRFIIHGTOH-OAHLLOKOSA-N 1 1 336.436 0.223 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@H](OC)C2CC2)CC1 ZINC001267598379 837906546 /nfs/dbraw/zinc/90/65/46/837906546.db2.gz BTTJQUQZUODOHR-WMLDXEAASA-N 1 1 349.475 0.720 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2ccsn2)CC1 ZINC001267601103 837919772 /nfs/dbraw/zinc/91/97/72/837919772.db2.gz KCCRQXWDJHUGEN-UHFFFAOYSA-N 1 1 334.445 0.677 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001267656304 838166537 /nfs/dbraw/zinc/16/65/37/838166537.db2.gz IYOIUVIGIXUPAH-LSDHHAIUSA-N 1 1 334.464 0.047 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2COCCN2CC)C1 ZINC001267658582 838174832 /nfs/dbraw/zinc/17/48/32/838174832.db2.gz PGLOORYWWSHQPU-DLBZAZTESA-N 1 1 339.480 0.690 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)ncn2C)C1 ZINC001267659198 838178488 /nfs/dbraw/zinc/17/84/88/838178488.db2.gz XAYWFFJVEZXOOC-CABCVRRESA-N 1 1 347.463 0.813 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2cncc(CC)c2)C1 ZINC001267665727 838190033 /nfs/dbraw/zinc/19/00/33/838190033.db2.gz KSIIGACFRGOEQO-MRXNPFEDSA-N 1 1 342.443 0.787 20 30 ECEDMO C[C@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)CSCC#N)C1 ZINC001267673688 838217128 /nfs/dbraw/zinc/21/71/28/838217128.db2.gz GGGFGUPNWXYZAL-CYBMUJFWSA-N 1 1 338.477 0.692 20 30 ECEDMO C#CCCCC(=O)NCC1C[NH+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001267680741 838239405 /nfs/dbraw/zinc/23/94/05/838239405.db2.gz VOYYJYQHPYXUEY-UHFFFAOYSA-N 1 1 334.420 0.168 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC001267683064 838244196 /nfs/dbraw/zinc/24/41/96/838244196.db2.gz JBQJLQJRIUXZSH-CVEARBPZSA-N 1 1 344.459 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(CCOCC(F)(F)F)C1 ZINC001267682137 838244370 /nfs/dbraw/zinc/24/43/70/838244370.db2.gz IPDXXQXNVCQQOR-AWEZNQCLSA-N 1 1 347.381 0.711 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CCOCC(F)(F)F)C1 ZINC001267682137 838244377 /nfs/dbraw/zinc/24/43/77/838244377.db2.gz IPDXXQXNVCQQOR-AWEZNQCLSA-N 1 1 347.381 0.711 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001267691232 838261790 /nfs/dbraw/zinc/26/17/90/838261790.db2.gz WCGHXFNZXAWWRD-HOTGVXAUSA-N 1 1 347.463 0.917 20 30 ECEDMO CC(C)c1oncc1C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267696435 838285490 /nfs/dbraw/zinc/28/54/90/838285490.db2.gz GKDWAQLQOUYRLW-CYBMUJFWSA-N 1 1 347.419 0.832 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)CCc2cnn(C)c2)C1 ZINC001267707764 838311463 /nfs/dbraw/zinc/31/14/63/838311463.db2.gz GQBHZYANNVMFAE-INIZCTEOSA-N 1 1 347.463 0.435 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC001267726214 838398809 /nfs/dbraw/zinc/39/88/09/838398809.db2.gz WJUBKAXLAPWXTR-PMPSAXMXSA-N 1 1 348.491 0.578 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC001267726214 838398814 /nfs/dbraw/zinc/39/88/14/838398814.db2.gz WJUBKAXLAPWXTR-PMPSAXMXSA-N 1 1 348.491 0.578 20 30 ECEDMO C[N@@H+](C[C@@H](O)Cn1cccn1)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001267729825 838415738 /nfs/dbraw/zinc/41/57/38/838415738.db2.gz HKFCHXPILRNAHJ-GOSISDBHSA-N 1 1 344.459 0.828 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO[C@H]2CCOC2)C1 ZINC001267744139 838447196 /nfs/dbraw/zinc/44/71/96/838447196.db2.gz FRKGEHKTJIAEPK-SQNIBIBYSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001267747913 838457205 /nfs/dbraw/zinc/45/72/05/838457205.db2.gz GTCYZFWFTCHGQP-DOTOQJQBSA-N 1 1 327.428 0.866 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001267747913 838457207 /nfs/dbraw/zinc/45/72/07/838457207.db2.gz GTCYZFWFTCHGQP-DOTOQJQBSA-N 1 1 327.428 0.866 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001267750541 838470314 /nfs/dbraw/zinc/47/03/14/838470314.db2.gz IPAWOMQROLADFS-CQSZACIVSA-N 1 1 347.415 0.867 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC001267754383 838476823 /nfs/dbraw/zinc/47/68/23/838476823.db2.gz GAXRKCNOBHIHAV-WCQYABFASA-N 1 1 334.445 0.322 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC001267754383 838476827 /nfs/dbraw/zinc/47/68/27/838476827.db2.gz GAXRKCNOBHIHAV-WCQYABFASA-N 1 1 334.445 0.322 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)/C=C(\C)C2CC2)C1 ZINC001267758617 838483317 /nfs/dbraw/zinc/48/33/17/838483317.db2.gz LHRIXWVTWAXYPJ-VOMSXAGXSA-N 1 1 348.447 0.887 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)/C=C(\C)C2CC2)C1 ZINC001267758617 838483320 /nfs/dbraw/zinc/48/33/20/838483320.db2.gz LHRIXWVTWAXYPJ-VOMSXAGXSA-N 1 1 348.447 0.887 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)cn2)C1 ZINC001267763428 838492534 /nfs/dbraw/zinc/49/25/34/838492534.db2.gz LNBCUOUUEGIPLM-JSGCOSHPSA-N 1 1 332.379 0.505 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(F)cn2)C1 ZINC001267763428 838492535 /nfs/dbraw/zinc/49/25/35/838492535.db2.gz LNBCUOUUEGIPLM-JSGCOSHPSA-N 1 1 332.379 0.505 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001267767002 838501829 /nfs/dbraw/zinc/50/18/29/838501829.db2.gz MVTKZYOIHJDZNH-NWDGAFQWSA-N 1 1 333.392 0.019 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001267767002 838501834 /nfs/dbraw/zinc/50/18/34/838501834.db2.gz MVTKZYOIHJDZNH-NWDGAFQWSA-N 1 1 333.392 0.019 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001267767228 838503030 /nfs/dbraw/zinc/50/30/30/838503030.db2.gz NJLNVYSDGMRMJG-ZBFHGGJFSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001267767228 838503041 /nfs/dbraw/zinc/50/30/41/838503041.db2.gz NJLNVYSDGMRMJG-ZBFHGGJFSA-N 1 1 347.463 0.494 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3ccncc23)C1 ZINC001267768770 838508502 /nfs/dbraw/zinc/50/85/02/838508502.db2.gz WKPPJTMERCMDEX-CQSZACIVSA-N 1 1 327.388 0.525 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn3ccncc23)C1 ZINC001267768770 838508510 /nfs/dbraw/zinc/50/85/10/838508510.db2.gz WKPPJTMERCMDEX-CQSZACIVSA-N 1 1 327.388 0.525 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001267768705 838508812 /nfs/dbraw/zinc/50/88/12/838508812.db2.gz RNZLWIDKTOABAL-UONOGXRCSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001267768705 838508816 /nfs/dbraw/zinc/50/88/16/838508816.db2.gz RNZLWIDKTOABAL-UONOGXRCSA-N 1 1 344.415 0.374 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCCF)C1 ZINC001267769944 838516921 /nfs/dbraw/zinc/51/69/21/838516921.db2.gz FISFSWFMCBLIAC-STQMWFEESA-N 1 1 342.415 0.669 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCCF)C1 ZINC001267769944 838516925 /nfs/dbraw/zinc/51/69/25/838516925.db2.gz FISFSWFMCBLIAC-STQMWFEESA-N 1 1 342.415 0.669 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001267772938 838529888 /nfs/dbraw/zinc/52/98/88/838529888.db2.gz YBLCEYVYPXMMMO-OCCSQVGLSA-N 1 1 331.420 0.311 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001267772938 838529892 /nfs/dbraw/zinc/52/98/92/838529892.db2.gz YBLCEYVYPXMMMO-OCCSQVGLSA-N 1 1 331.420 0.311 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnnc2)C1 ZINC001267773636 838534425 /nfs/dbraw/zinc/53/44/25/838534425.db2.gz PCHWTEXGVPWYBV-INIZCTEOSA-N 1 1 343.431 0.824 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnnc2)C1 ZINC001267773636 838534428 /nfs/dbraw/zinc/53/44/28/838534428.db2.gz PCHWTEXGVPWYBV-INIZCTEOSA-N 1 1 343.431 0.824 20 30 ECEDMO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267774805 838537098 /nfs/dbraw/zinc/53/70/98/838537098.db2.gz ZMSWZWWLKBEZSH-CYBMUJFWSA-N 1 1 336.436 0.673 20 30 ECEDMO CCN(C(=O)c1ccnc2n[nH]nc21)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267787485 838564975 /nfs/dbraw/zinc/56/49/75/838564975.db2.gz CTZSNAUFMWJXNA-ZDUSSCGKSA-N 1 1 342.403 0.539 20 30 ECEDMO CCN(C(=O)c1ccnc2n[nH]nc21)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267787485 838564979 /nfs/dbraw/zinc/56/49/79/838564979.db2.gz CTZSNAUFMWJXNA-ZDUSSCGKSA-N 1 1 342.403 0.539 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CCc2cnn(C)c2)C1 ZINC001267793360 838573425 /nfs/dbraw/zinc/57/34/25/838573425.db2.gz HAUSBABNNZIQFT-INIZCTEOSA-N 1 1 345.447 0.025 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CCc2cnn(C)c2)C1 ZINC001267793360 838573433 /nfs/dbraw/zinc/57/34/33/838573433.db2.gz HAUSBABNNZIQFT-INIZCTEOSA-N 1 1 345.447 0.025 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)OC)C2)nn1 ZINC001105183453 838726849 /nfs/dbraw/zinc/72/68/49/838726849.db2.gz QUJJHCWDHNRUMF-CYBMUJFWSA-N 1 1 337.424 0.379 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C3CC=CC3)C2)nn1 ZINC001105199994 838758585 /nfs/dbraw/zinc/75/85/85/838758585.db2.gz RZYOXCDASXISEM-UHFFFAOYSA-N 1 1 331.420 0.920 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001267919668 838793759 /nfs/dbraw/zinc/79/37/59/838793759.db2.gz OFFRZCNMOFBJOU-MRXNPFEDSA-N 1 1 345.447 0.733 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001267919668 838793769 /nfs/dbraw/zinc/79/37/69/838793769.db2.gz OFFRZCNMOFBJOU-MRXNPFEDSA-N 1 1 345.447 0.733 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)C1CCOCC1)CC2 ZINC001267972449 838902031 /nfs/dbraw/zinc/90/20/31/838902031.db2.gz HHDPMDKFRZULGZ-UHFFFAOYSA-N 1 1 347.459 0.477 20 30 ECEDMO C#CCOCCC(=O)N1CCC2(CC[N@H+](CC#CCOC)C2)CC1 ZINC001267973378 838903957 /nfs/dbraw/zinc/90/39/57/838903957.db2.gz OCPWAUYHSHKAAU-UHFFFAOYSA-N 1 1 332.444 0.991 20 30 ECEDMO CC1(C)CO[C@@H](C[N@@H+]2CCO[C@@H](CNC(=O)CSCC#N)C2)C1 ZINC001268016997 838981529 /nfs/dbraw/zinc/98/15/29/838981529.db2.gz HYTXGLMQGKVXNJ-KGLIPLIRSA-N 1 1 341.477 0.875 20 30 ECEDMO CC1(C)CO[C@@H](C[N@H+]2CCO[C@@H](CNC(=O)CSCC#N)C2)C1 ZINC001268016997 838981541 /nfs/dbraw/zinc/98/15/41/838981541.db2.gz HYTXGLMQGKVXNJ-KGLIPLIRSA-N 1 1 341.477 0.875 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001268025891 839025999 /nfs/dbraw/zinc/02/59/99/839025999.db2.gz KYNSGQLHFUMAFA-AWEZNQCLSA-N 1 1 345.403 0.832 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001268027515 839036579 /nfs/dbraw/zinc/03/65/79/839036579.db2.gz VPTJYUPGRDJXEJ-HUUCEWRRSA-N 1 1 348.451 0.409 20 30 ECEDMO Cn1nnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000981023592 839323581 /nfs/dbraw/zinc/32/35/81/839323581.db2.gz AHGMBIXPIQTMTM-WDEREUQCSA-N 1 1 328.380 0.241 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000981012620 839336046 /nfs/dbraw/zinc/33/60/46/839336046.db2.gz FXAVSMNWWGTJOA-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000981012620 839336058 /nfs/dbraw/zinc/33/60/58/839336058.db2.gz FXAVSMNWWGTJOA-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO N#Cc1ccc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)o1 ZINC000174380801 231192881 /nfs/dbraw/zinc/19/28/81/231192881.db2.gz YMGRHNGMRULABA-CYBMUJFWSA-N 1 1 327.406 0.729 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000102987719 219245591 /nfs/dbraw/zinc/24/55/91/219245591.db2.gz RUUHPFMYGYQRMW-UHFFFAOYSA-N 1 1 346.456 0.977 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329306961 296020752 /nfs/dbraw/zinc/02/07/52/296020752.db2.gz PLDOAXSNNSCZLA-HIFRSBDPSA-N 1 1 336.436 0.460 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(CC[N@H+]([C@H](CC)C(N)=O)C3)C2)c1 ZINC001041661854 781944542 /nfs/dbraw/zinc/94/45/42/781944542.db2.gz YRQJGQLRHDDAIL-APWZRJJASA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC001041673713 781964419 /nfs/dbraw/zinc/96/44/19/781964419.db2.gz ZLUYURPUPHPFFT-DAYGRLMNSA-N 1 1 333.432 0.180 20 30 ECEDMO COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000447012944 211166204 /nfs/dbraw/zinc/16/62/04/211166204.db2.gz JBMUXWMICZBAII-HOCLYGCPSA-N 1 1 334.420 0.488 20 30 ECEDMO CCC(CC)[C@H](CNC(=O)Cn1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000178400450 207685587 /nfs/dbraw/zinc/68/55/87/207685587.db2.gz JNLDIELGVUROGX-AWEZNQCLSA-N 1 1 334.424 0.403 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000330521474 285043263 /nfs/dbraw/zinc/04/32/63/285043263.db2.gz RHWFKWNLRHQZBN-RDBSUJKOSA-N 1 1 332.470 0.364 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)C1 ZINC000329941582 285056894 /nfs/dbraw/zinc/05/68/94/285056894.db2.gz CGDZBJBMYPQCQB-OFQRWUPVSA-N 1 1 327.425 0.501 20 30 ECEDMO COC(=O)[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411899055 208159036 /nfs/dbraw/zinc/15/90/36/208159036.db2.gz AVXCEPAGFZKRPX-MRXNPFEDSA-N 1 1 344.415 0.211 20 30 ECEDMO COC(=O)[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+](C)C1 ZINC000411910622 208165058 /nfs/dbraw/zinc/16/50/58/208165058.db2.gz SLCJXXAMROADOI-CYBMUJFWSA-N 1 1 348.403 0.743 20 30 ECEDMO COC(=O)[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CC[N@@H+](C)C1 ZINC000411910633 208165715 /nfs/dbraw/zinc/16/57/15/208165715.db2.gz SLCJXXAMROADOI-ZDUSSCGKSA-N 1 1 348.403 0.743 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)CNc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000413905404 208369900 /nfs/dbraw/zinc/36/99/00/208369900.db2.gz QPNJFGKMLIGTMR-AWEZNQCLSA-N 1 1 330.388 0.533 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000337057850 254662644 /nfs/dbraw/zinc/66/26/44/254662644.db2.gz DNAZDAXFBGVAEV-TZMCWYRMSA-N 1 1 328.438 0.062 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496562668 255110811 /nfs/dbraw/zinc/11/08/11/255110811.db2.gz DIDHMCHSPLHDBY-UHFFFAOYSA-N 1 1 337.420 0.136 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000190095414 165017923 /nfs/dbraw/zinc/01/79/23/165017923.db2.gz YJWJKJGACKDZAM-TZMCWYRMSA-N 1 1 344.419 0.969 20 30 ECEDMO COC(=O)CNC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000192968335 165050675 /nfs/dbraw/zinc/05/06/75/165050675.db2.gz HURXFAJTYGXHLZ-UHFFFAOYSA-N 1 1 344.415 0.355 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000248825020 165187183 /nfs/dbraw/zinc/18/71/83/165187183.db2.gz CORGXBQBCGBPNJ-KGLIPLIRSA-N 1 1 344.415 0.202 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2C#N)CC1 ZINC000192693187 263165496 /nfs/dbraw/zinc/16/54/96/263165496.db2.gz PYMFGDHVMYSQJU-UHFFFAOYSA-N 1 1 336.417 0.001 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000270957336 263288385 /nfs/dbraw/zinc/28/83/85/263288385.db2.gz UKVZXGDNZOMKCJ-JKSUJKDBSA-N 1 1 329.400 0.995 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000283509220 264123973 /nfs/dbraw/zinc/12/39/73/264123973.db2.gz BKLMOZJVLQVOAE-SWLSCSKDSA-N 1 1 326.400 0.916 20 30 ECEDMO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000345373589 270006415 /nfs/dbraw/zinc/00/64/15/270006415.db2.gz XCUQGQKSVAFSBS-UHFFFAOYSA-N 1 1 336.373 0.935 20 30 ECEDMO N#Cc1cccnc1N1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000371597848 270007558 /nfs/dbraw/zinc/00/75/58/270007558.db2.gz CPLFHSLUOWXZRP-MRXNPFEDSA-N 1 1 343.431 0.449 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000376516794 270007820 /nfs/dbraw/zinc/00/78/20/270007820.db2.gz FNKGGLGEVCGYCI-DZGCQCFKSA-N 1 1 343.435 0.808 20 30 ECEDMO CCN1CCO[C@@H](C[NH+]2CCN(Cc3cc(C#N)n(C)c3)CC2)C1 ZINC000373811925 266153554 /nfs/dbraw/zinc/15/35/54/266153554.db2.gz JPZTWORZUNMPRR-GOSISDBHSA-N 1 1 331.464 0.735 20 30 ECEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)n2cnc(C#N)n2)[C@@H](C)C1 ZINC000337014135 266272863 /nfs/dbraw/zinc/27/28/63/266272863.db2.gz JPECORNKLSIHIA-KKUMJFAQSA-N 1 1 348.451 0.964 20 30 ECEDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000290759730 266398971 /nfs/dbraw/zinc/39/89/71/266398971.db2.gz KEFSKQHOFQCIQH-CQSZACIVSA-N 1 1 348.378 0.551 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3snc(C)c3C#N)CC2)[N@@H+](C)C1 ZINC000329633063 266776851 /nfs/dbraw/zinc/77/68/51/266776851.db2.gz WNQVKTMIVFYLFL-JSGCOSHPSA-N 1 1 349.460 0.691 20 30 ECEDMO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000343603550 266997433 /nfs/dbraw/zinc/99/74/33/266997433.db2.gz CTRXTYVXCKOCBY-KDOFPFPSSA-N 1 1 347.415 0.525 20 30 ECEDMO C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[N@H+](C2CCC2)C1 ZINC000292132849 267039530 /nfs/dbraw/zinc/03/95/30/267039530.db2.gz YCITVJFRDDGICY-ZDUSSCGKSA-N 1 1 331.424 0.666 20 30 ECEDMO C[C@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)N1CC[NH+](C)CC1 ZINC000293664002 267128377 /nfs/dbraw/zinc/12/83/77/267128377.db2.gz HXUFODIXTMFKMO-ZBFHGGJFSA-N 1 1 343.431 0.569 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373413740 267130546 /nfs/dbraw/zinc/13/05/46/267130546.db2.gz SNQWGJDWYKDZFD-SNVBAGLBSA-N 1 1 331.380 0.163 20 30 ECEDMO C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)n1cnc(C#N)n1 ZINC000344463009 267132013 /nfs/dbraw/zinc/13/20/13/267132013.db2.gz PTAKHKNMJKAGJD-JHJVBQTASA-N 1 1 334.424 0.715 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000364971994 267163682 /nfs/dbraw/zinc/16/36/82/267163682.db2.gz MLHQBGFKUYLOHX-GFCCVEGCSA-N 1 1 348.378 0.551 20 30 ECEDMO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000343603549 267203705 /nfs/dbraw/zinc/20/37/05/267203705.db2.gz CTRXTYVXCKOCBY-KBXCAEBGSA-N 1 1 347.415 0.525 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296321664 267311157 /nfs/dbraw/zinc/31/11/57/267311157.db2.gz UCZHRGSDEBGJDS-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296321664 267311160 /nfs/dbraw/zinc/31/11/60/267311160.db2.gz UCZHRGSDEBGJDS-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001077969479 782040345 /nfs/dbraw/zinc/04/03/45/782040345.db2.gz LTYMMWXYNADEEK-JYJNAYRXSA-N 1 1 337.464 0.768 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000295476761 268032868 /nfs/dbraw/zinc/03/28/68/268032868.db2.gz NTRWDTZRGSDVMM-INIZCTEOSA-N 1 1 344.415 0.251 20 30 ECEDMO N#Cc1ccc(CCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000340953888 268060286 /nfs/dbraw/zinc/06/02/86/268060286.db2.gz LXPQRJSWHBDRJM-INIZCTEOSA-N 1 1 328.416 0.947 20 30 ECEDMO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000367718774 268209717 /nfs/dbraw/zinc/20/97/17/268209717.db2.gz ZWGPXTUDLXHVCJ-CHWSQXEVSA-N 1 1 336.417 0.481 20 30 ECEDMO N#Cc1ccnc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000301616888 268297038 /nfs/dbraw/zinc/29/70/38/268297038.db2.gz CDTPKBUAMGFMBW-GFCCVEGCSA-N 1 1 332.364 0.861 20 30 ECEDMO N#Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371029659 268302634 /nfs/dbraw/zinc/30/26/34/268302634.db2.gz YFZPXHMMDGQCBG-CQSZACIVSA-N 1 1 334.445 0.756 20 30 ECEDMO N#Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371029659 268302636 /nfs/dbraw/zinc/30/26/36/268302636.db2.gz YFZPXHMMDGQCBG-CQSZACIVSA-N 1 1 334.445 0.756 20 30 ECEDMO C[C@H]1C[N@H+](C2CCN(C(=O)NCCCS(C)(=O)=O)CC2)CCO1 ZINC000330707113 437595990 /nfs/dbraw/zinc/59/59/90/437595990.db2.gz MDJVXNKXUDLXNB-ZDUSSCGKSA-N 1 1 347.481 0.520 20 30 ECEDMO C[C@@H](CNC(=O)N1CCc2n[nH]c(=O)cc2C1)C[NH+]1CCOCC1 ZINC000330077415 277557661 /nfs/dbraw/zinc/55/76/61/277557661.db2.gz MYQRMHYEFKKDHB-LBPRGKRZSA-N 1 1 335.408 0.423 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000427717549 277832077 /nfs/dbraw/zinc/83/20/77/277832077.db2.gz CKWBYUGJPMTRTN-UONOGXRCSA-N 1 1 332.466 0.545 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000159095975 278184370 /nfs/dbraw/zinc/18/43/70/278184370.db2.gz DSAXVJPBEQQERF-ZDUSSCGKSA-N 1 1 342.399 0.975 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000159095975 278184372 /nfs/dbraw/zinc/18/43/72/278184372.db2.gz DSAXVJPBEQQERF-ZDUSSCGKSA-N 1 1 342.399 0.975 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000328675786 288114401 /nfs/dbraw/zinc/11/44/01/288114401.db2.gz RBSSNHVFJIBVIO-RTXFEEFZSA-N 1 1 330.454 0.136 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCC2CCSCC2)CC1 ZINC000330763485 437610621 /nfs/dbraw/zinc/61/06/21/437610621.db2.gz OTKOEVDQJFJIPO-UHFFFAOYSA-N 1 1 328.482 0.844 20 30 ECEDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000329606444 289044292 /nfs/dbraw/zinc/04/42/92/289044292.db2.gz MOHWMXHRVAVHNO-VNHYZAJKSA-N 1 1 336.436 0.459 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000374583178 298275274 /nfs/dbraw/zinc/27/52/74/298275274.db2.gz HARNITPXQBVJOV-RBSFLKMASA-N 1 1 344.481 0.386 20 30 ECEDMO C=CC[NH+](CC=C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000072590371 436049538 /nfs/dbraw/zinc/04/95/38/436049538.db2.gz CMPNHJGGPRZEPD-UHFFFAOYSA-N 1 1 337.445 0.667 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCC(=O)Nc2cc(C)on2)CC1 ZINC000028638942 436192223 /nfs/dbraw/zinc/19/22/23/436192223.db2.gz OTWZGSIWYVWJFM-UHFFFAOYSA-N 1 1 335.408 0.231 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000076951939 436221058 /nfs/dbraw/zinc/22/10/58/436221058.db2.gz XQVXPJVBRNKOQZ-AWEZNQCLSA-N 1 1 331.482 0.672 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000076951939 436221062 /nfs/dbraw/zinc/22/10/62/436221062.db2.gz XQVXPJVBRNKOQZ-AWEZNQCLSA-N 1 1 331.482 0.672 20 30 ECEDMO N#CCSCC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000032976744 436248017 /nfs/dbraw/zinc/24/80/17/436248017.db2.gz RYEHNVZLRNHWFJ-UHFFFAOYSA-N 1 1 334.449 0.362 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000079977283 436309252 /nfs/dbraw/zinc/30/92/52/436309252.db2.gz VNEUPFRURWJCKD-CQSZACIVSA-N 1 1 329.466 0.448 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000079977283 436309255 /nfs/dbraw/zinc/30/92/55/436309255.db2.gz VNEUPFRURWJCKD-CQSZACIVSA-N 1 1 329.466 0.448 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000046448891 436394932 /nfs/dbraw/zinc/39/49/32/436394932.db2.gz UQELURNVZSNFMA-CYBMUJFWSA-N 1 1 344.415 0.652 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000091210585 436444131 /nfs/dbraw/zinc/44/41/31/436444131.db2.gz OUOBHSVHWLSEOD-HUUCEWRRSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000091210585 436444133 /nfs/dbraw/zinc/44/41/33/436444133.db2.gz OUOBHSVHWLSEOD-HUUCEWRRSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000091210727 436444796 /nfs/dbraw/zinc/44/47/96/436444796.db2.gz CCRQITIPZUNZLY-HUUCEWRRSA-N 1 1 341.477 0.693 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CC(N)=O)C2CCCC2)CC1 ZINC000091555895 436452069 /nfs/dbraw/zinc/45/20/69/436452069.db2.gz SPCKAUOCTMBAOI-MRXNPFEDSA-N 1 1 349.479 0.409 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](CC(N)=O)C2CCCC2)CC1 ZINC000091555895 436452071 /nfs/dbraw/zinc/45/20/71/436452071.db2.gz SPCKAUOCTMBAOI-MRXNPFEDSA-N 1 1 349.479 0.409 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000049048435 436463287 /nfs/dbraw/zinc/46/32/87/436463287.db2.gz QPTHYMOQOTVSPC-INIZCTEOSA-N 1 1 344.415 0.970 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)c1 ZINC000092143712 436466368 /nfs/dbraw/zinc/46/63/68/436466368.db2.gz KVDNRMRKJDXQJB-UHFFFAOYSA-N 1 1 340.383 0.136 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)c1 ZINC000092143712 436466374 /nfs/dbraw/zinc/46/63/74/436466374.db2.gz KVDNRMRKJDXQJB-UHFFFAOYSA-N 1 1 340.383 0.136 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000052740580 436515560 /nfs/dbraw/zinc/51/55/60/436515560.db2.gz ONOWIZJUDMRZJL-OAHLLOKOSA-N 1 1 344.415 0.751 20 30 ECEDMO CCN(CCC#N)C(=O)CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231019 436630071 /nfs/dbraw/zinc/63/00/71/436630071.db2.gz IKEXLUHOKIPQBA-KRWDZBQOSA-N 1 1 335.496 0.850 20 30 ECEDMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)N(C)CCC#N)[C@H](C)C1 ZINC000115591929 436647907 /nfs/dbraw/zinc/64/79/07/436647907.db2.gz JJMPAVDUDBYFOA-CABCVRRESA-N 1 1 346.497 0.803 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000118103425 436659412 /nfs/dbraw/zinc/65/94/12/436659412.db2.gz VRXFTWVPBWYPMD-HNNXBMFYSA-N 1 1 344.415 0.751 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000272855069 436722419 /nfs/dbraw/zinc/72/24/19/436722419.db2.gz LVOROHHJJHGQEW-LLVKDONJSA-N 1 1 332.447 0.585 20 30 ECEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000156709681 436819100 /nfs/dbraw/zinc/81/91/00/436819100.db2.gz PCWFSGJCKCWSMR-MRXNPFEDSA-N 1 1 337.445 0.947 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000245910391 436770285 /nfs/dbraw/zinc/77/02/85/436770285.db2.gz IYENCZALTWTRDN-KBPBESRZSA-N 1 1 346.497 0.305 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000245910391 436770290 /nfs/dbraw/zinc/77/02/90/436770290.db2.gz IYENCZALTWTRDN-KBPBESRZSA-N 1 1 346.497 0.305 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000246205146 436774646 /nfs/dbraw/zinc/77/46/46/436774646.db2.gz YFBOQCHRHFZQAE-HOTGVXAUSA-N 1 1 349.479 0.266 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247053812 436788612 /nfs/dbraw/zinc/78/86/12/436788612.db2.gz OLMISGYBXXAXRL-HOTGVXAUSA-N 1 1 331.416 0.864 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247053812 436788615 /nfs/dbraw/zinc/78/86/15/436788615.db2.gz OLMISGYBXXAXRL-HOTGVXAUSA-N 1 1 331.416 0.864 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)ccc1Cl ZINC000158742777 436850301 /nfs/dbraw/zinc/85/03/01/436850301.db2.gz LSIPXZHYZCVLIT-UHFFFAOYSA-N 1 1 343.836 0.900 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)ccc1Cl ZINC000158742777 436850304 /nfs/dbraw/zinc/85/03/04/436850304.db2.gz LSIPXZHYZCVLIT-UHFFFAOYSA-N 1 1 343.836 0.900 20 30 ECEDMO C[C@@](C#N)(NC(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)C1CC1 ZINC000159395944 436858160 /nfs/dbraw/zinc/85/81/60/436858160.db2.gz VNIQPEOMXJEMTB-QAPCUYQASA-N 1 1 347.463 0.209 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000293381270 436871524 /nfs/dbraw/zinc/87/15/24/436871524.db2.gz MVTAKRDJQAMKRQ-CQSZACIVSA-N 1 1 329.400 0.872 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c(OC)c1 ZINC000274438401 436826926 /nfs/dbraw/zinc/82/69/26/436826926.db2.gz BAVKMHZIQQQFJE-JYJNAYRXSA-N 1 1 337.416 0.591 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000293882434 436917059 /nfs/dbraw/zinc/91/70/59/436917059.db2.gz CTXIKQRHTAKAMM-UHFFFAOYSA-N 1 1 327.384 0.662 20 30 ECEDMO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(C)(C)CCC#N ZINC000160611747 436875942 /nfs/dbraw/zinc/87/59/42/436875942.db2.gz DEEONRGYJLQKKI-CYBMUJFWSA-N 1 1 329.466 0.942 20 30 ECEDMO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(C)(C)CCC#N ZINC000160611747 436875944 /nfs/dbraw/zinc/87/59/44/436875944.db2.gz DEEONRGYJLQKKI-CYBMUJFWSA-N 1 1 329.466 0.942 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000293445472 436877473 /nfs/dbraw/zinc/87/74/73/436877473.db2.gz RZIRPLCMMFERGC-UHFFFAOYSA-N 1 1 345.399 0.791 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cnn(-c2ccccn2)c1C ZINC000293794040 436909548 /nfs/dbraw/zinc/90/95/48/436909548.db2.gz MUWOHEOBNDTTAT-UHFFFAOYSA-N 1 1 347.444 0.809 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162604709 436910389 /nfs/dbraw/zinc/91/03/89/436910389.db2.gz KYBWHVGTYNYEDU-MAUKXSAKSA-N 1 1 349.479 0.279 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162696719 436910600 /nfs/dbraw/zinc/91/06/00/436910600.db2.gz BWKRUSVXVXQLHE-CVEARBPZSA-N 1 1 349.479 0.233 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000293815490 436911227 /nfs/dbraw/zinc/91/12/27/436911227.db2.gz OMPNCWHOUJBEOQ-UHFFFAOYSA-N 1 1 329.353 0.967 20 30 ECEDMO C=CCN1CC[C@@H](N(C)CCC[N@@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281480420 436973414 /nfs/dbraw/zinc/97/34/14/436973414.db2.gz WNNLCPZHRYHIHQ-CALCHBBNSA-N 1 1 348.491 0.814 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCCN(C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281480420 436973416 /nfs/dbraw/zinc/97/34/16/436973416.db2.gz WNNLCPZHRYHIHQ-CALCHBBNSA-N 1 1 348.491 0.814 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCCN(C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281480420 436973419 /nfs/dbraw/zinc/97/34/19/436973419.db2.gz WNNLCPZHRYHIHQ-CALCHBBNSA-N 1 1 348.491 0.814 20 30 ECEDMO C=CCN1CC[C@H](N(C)CCC[N@@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281480425 436973846 /nfs/dbraw/zinc/97/38/46/436973846.db2.gz WNNLCPZHRYHIHQ-IRXDYDNUSA-N 1 1 348.491 0.814 20 30 ECEDMO C[C@@]1(C(N)=O)CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000281153357 436951061 /nfs/dbraw/zinc/95/10/61/436951061.db2.gz OPOAXBWNAUSCFO-CXAGYDPISA-N 1 1 326.356 0.387 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000297291691 437008129 /nfs/dbraw/zinc/00/81/29/437008129.db2.gz HCXKKWYGTWTJDI-CQSZACIVSA-N 1 1 335.429 0.769 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000297291691 437008132 /nfs/dbraw/zinc/00/81/32/437008132.db2.gz HCXKKWYGTWTJDI-CQSZACIVSA-N 1 1 335.429 0.769 20 30 ECEDMO COC(=O)CN(CC#N)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000172359228 437010681 /nfs/dbraw/zinc/01/06/81/437010681.db2.gz FQIDJRPXQZLFNI-UHFFFAOYSA-N 1 1 344.415 0.329 20 30 ECEDMO CN(C)CC[NH+]1CCC(NC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000173372272 437046860 /nfs/dbraw/zinc/04/68/60/437046860.db2.gz QOGUAVVXPDZRDJ-UHFFFAOYSA-N 1 1 333.440 0.944 20 30 ECEDMO C[C@H]1CCC[N@@H+](CCNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000264749389 437076468 /nfs/dbraw/zinc/07/64/68/437076468.db2.gz NOBAHFSQOVGOQQ-PVEMMZBWSA-N 1 1 349.435 0.544 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000175038865 437094908 /nfs/dbraw/zinc/09/49/08/437094908.db2.gz NMHXLCIEDMVCCX-UHFFFAOYSA-N 1 1 347.394 0.707 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175990493 437128776 /nfs/dbraw/zinc/12/87/76/437128776.db2.gz RKOJFIVNYXHGHO-CQSZACIVSA-N 1 1 348.378 0.863 20 30 ECEDMO Cc1ccc(NCCCNC(=O)NCCn2cnc(C#N)n2)[nH+]c1 ZINC000287468918 437193664 /nfs/dbraw/zinc/19/36/64/437193664.db2.gz PPCLBJLLEMHQBW-UHFFFAOYSA-N 1 1 328.380 0.655 20 30 ECEDMO C#CCOc1ccccc1CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000287493824 437195069 /nfs/dbraw/zinc/19/50/69/437195069.db2.gz HFBNEVMZGDJPKS-OAHLLOKOSA-N 1 1 331.416 0.907 20 30 ECEDMO C[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@@H+]1CC(C)(C)O ZINC000332024941 437196588 /nfs/dbraw/zinc/19/65/88/437196588.db2.gz WFFITOWGCPGKSP-CYBMUJFWSA-N 1 1 329.466 0.787 20 30 ECEDMO C[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@H+]1CC(C)(C)O ZINC000332024941 437196590 /nfs/dbraw/zinc/19/65/90/437196590.db2.gz WFFITOWGCPGKSP-CYBMUJFWSA-N 1 1 329.466 0.787 20 30 ECEDMO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)N1CCN(c2ncccn2)CC1 ZINC000331836084 437166139 /nfs/dbraw/zinc/16/61/39/437166139.db2.gz BWIACVXAEUDOFA-SOUVJXGZSA-N 1 1 328.420 0.796 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000332384599 437218141 /nfs/dbraw/zinc/21/81/41/437218141.db2.gz GSGXWAVEYXXQIQ-QWHCGFSZSA-N 1 1 325.438 0.936 20 30 ECEDMO Cn1cc([C@@H]2C[N@H+](CC(=O)NC3(C#N)CCCCC3)C[C@H]2CO)cn1 ZINC000277648718 437240814 /nfs/dbraw/zinc/24/08/14/437240814.db2.gz CSODKDPUJHSWGA-HOTGVXAUSA-N 1 1 345.447 0.770 20 30 ECEDMO Cn1cc([C@@H]2C[N@@H+](CC(=O)NC3(C#N)CCCCC3)C[C@H]2CO)cn1 ZINC000277648718 437240817 /nfs/dbraw/zinc/24/08/17/437240817.db2.gz CSODKDPUJHSWGA-HOTGVXAUSA-N 1 1 345.447 0.770 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000329046903 437307695 /nfs/dbraw/zinc/30/76/95/437307695.db2.gz JSUKNXBLWZQTKL-BRXULGCHSA-N 1 1 348.451 0.678 20 30 ECEDMO Cn1ccc(CNC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000329052881 437309894 /nfs/dbraw/zinc/30/98/94/437309894.db2.gz RVHKWAIYLNPVNJ-MRXNPFEDSA-N 1 1 334.468 0.936 20 30 ECEDMO C[C@H](Cn1cncn1)NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000329249449 437341469 /nfs/dbraw/zinc/34/14/69/437341469.db2.gz ASFSNFMPLNRYKH-KGLIPLIRSA-N 1 1 336.440 0.766 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOCC3(CC3)C2)CC1 ZINC000329301613 437349443 /nfs/dbraw/zinc/34/94/43/437349443.db2.gz MZTUNSDAMGTHMH-MRXNPFEDSA-N 1 1 334.464 0.791 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCOCC3(CC3)C2)CC1 ZINC000329301613 437349447 /nfs/dbraw/zinc/34/94/47/437349447.db2.gz MZTUNSDAMGTHMH-MRXNPFEDSA-N 1 1 334.464 0.791 20 30 ECEDMO O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000329316996 437352497 /nfs/dbraw/zinc/35/24/97/437352497.db2.gz DALPMDDIFZQYAH-QLFBSQMISA-N 1 1 334.424 0.692 20 30 ECEDMO CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000329333331 437353261 /nfs/dbraw/zinc/35/32/61/437353261.db2.gz WZFWYGTUCXGKQE-CQSZACIVSA-N 1 1 347.481 0.725 20 30 ECEDMO C[N@H+](CC(C)(CO)CO)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182854220 437365321 /nfs/dbraw/zinc/36/53/21/437365321.db2.gz BVIZXDHCRWXHIL-INIZCTEOSA-N 1 1 331.416 0.976 20 30 ECEDMO C[N@@H+](CC(C)(CO)CO)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182854220 437365326 /nfs/dbraw/zinc/36/53/26/437365326.db2.gz BVIZXDHCRWXHIL-INIZCTEOSA-N 1 1 331.416 0.976 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c1 ZINC000337030578 437324002 /nfs/dbraw/zinc/32/40/02/437324002.db2.gz DAQBAYXGUGGTDE-CYBMUJFWSA-N 1 1 325.376 0.763 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000329238135 437339545 /nfs/dbraw/zinc/33/95/45/437339545.db2.gz PLJCKHOJBZCMBG-DYEKYZERSA-N 1 1 344.481 0.349 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000337202225 437339921 /nfs/dbraw/zinc/33/99/21/437339921.db2.gz DULCCKXNEYAUSR-HNNXBMFYSA-N 1 1 344.415 0.833 20 30 ECEDMO CO/N=C/C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000289382132 437405730 /nfs/dbraw/zinc/40/57/30/437405730.db2.gz MOWDJESSGMJBAK-VYXQJKENSA-N 1 1 332.404 0.632 20 30 ECEDMO Cc1nc2ccc(NC(=O)N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)cn2n1 ZINC000329786597 437412974 /nfs/dbraw/zinc/41/29/74/437412974.db2.gz QRPNUOXRGTZGFV-NEPJUHHUSA-N 1 1 332.408 0.970 20 30 ECEDMO Cc1nc2ccc(NC(=O)N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)cn2n1 ZINC000329786597 437412977 /nfs/dbraw/zinc/41/29/77/437412977.db2.gz QRPNUOXRGTZGFV-NEPJUHHUSA-N 1 1 332.408 0.970 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CCCS(=O)(=O)C2)n1C ZINC000329794112 437415046 /nfs/dbraw/zinc/41/50/46/437415046.db2.gz VWTHLRNTHMJXTI-JTQLQIEISA-N 1 1 329.426 0.067 20 30 ECEDMO C[C@H](CNC(=O)N[C@@H](C)c1nnc2n1CCC2)C[NH+]1CCOCC1 ZINC000329810781 437416455 /nfs/dbraw/zinc/41/64/55/437416455.db2.gz CNFWAYRCNUDIFY-OLZOCXBDSA-N 1 1 336.440 0.757 20 30 ECEDMO C[C@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCS1(=O)=O ZINC000329817157 437417656 /nfs/dbraw/zinc/41/76/56/437417656.db2.gz OJBDBEPCZBOOQU-ZDUSSCGKSA-N 1 1 346.497 0.045 20 30 ECEDMO Cc1ccn(C[C@](C)(O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(=O)c1 ZINC000329832699 437419559 /nfs/dbraw/zinc/41/95/59/437419559.db2.gz GBZHLRUWROTQHI-PBHICJAKSA-N 1 1 336.436 0.110 20 30 ECEDMO CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1 ZINC000329868269 437424182 /nfs/dbraw/zinc/42/41/82/437424182.db2.gz XFSZCLRIXXTLKA-FRRDWIJNSA-N 1 1 333.454 0.476 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCCOC2)CC1 ZINC000329918913 437430532 /nfs/dbraw/zinc/43/05/32/437430532.db2.gz GFACHPJCCACIKO-AWEZNQCLSA-N 1 1 326.441 0.423 20 30 ECEDMO CCSc1nnc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)s1 ZINC000329546637 437380977 /nfs/dbraw/zinc/38/09/77/437380977.db2.gz BXZTXIVBULNGGT-SECBINFHSA-N 1 1 330.483 1.222 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000329621228 437392589 /nfs/dbraw/zinc/39/25/89/437392589.db2.gz FOGUFUMVTDKMEZ-YVSFHVDLSA-N 1 1 334.464 0.381 20 30 ECEDMO O=C(NC1CCN(c2cccnn2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000330274992 437477502 /nfs/dbraw/zinc/47/75/02/437477502.db2.gz KXTOTAALHPACFB-HNNXBMFYSA-N 1 1 330.436 0.792 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@@]3(CCOC3)C2)C1 ZINC000329940536 437434861 /nfs/dbraw/zinc/43/48/61/437434861.db2.gz GESKZOFCJDGXFS-WBVHZDCISA-N 1 1 341.452 0.749 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCn3ncnc3C2)C1 ZINC000329962168 437437205 /nfs/dbraw/zinc/43/72/05/437437205.db2.gz PARJLPKOTIZVMJ-AWEZNQCLSA-N 1 1 336.440 0.407 20 30 ECEDMO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CCOCCC#N)C1 ZINC000339114133 437443665 /nfs/dbraw/zinc/44/36/65/437443665.db2.gz MDNRYJIJIMRNPP-CQSZACIVSA-N 1 1 349.435 0.896 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185602573 437445246 /nfs/dbraw/zinc/44/52/46/437445246.db2.gz CHHZGEOKPMDSLP-UHFFFAOYSA-N 1 1 338.795 0.581 20 30 ECEDMO Cc1cc2ncc(C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)c(C)n2n1 ZINC000330057423 437449382 /nfs/dbraw/zinc/44/93/82/437449382.db2.gz XLMGDOUBPXGAIQ-KRWDZBQOSA-N 1 1 347.419 0.734 20 30 ECEDMO CCNS(=O)(=O)[C@@H]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330194466 437467822 /nfs/dbraw/zinc/46/78/22/437467822.db2.gz OTOHDYBPXVOJKT-NWDGAFQWSA-N 1 1 341.437 0.126 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330372048 437494427 /nfs/dbraw/zinc/49/44/27/437494427.db2.gz JQSXFOKDXBSBGP-MCIONIFRSA-N 1 1 346.497 0.800 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330372048 437494432 /nfs/dbraw/zinc/49/44/32/437494432.db2.gz JQSXFOKDXBSBGP-MCIONIFRSA-N 1 1 346.497 0.800 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000339998438 437541584 /nfs/dbraw/zinc/54/15/84/437541584.db2.gz BCSQQKUQDIAHHP-INIZCTEOSA-N 1 1 338.496 0.799 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCN2CC=C(C)CC2)CC1 ZINC000343724199 437638391 /nfs/dbraw/zinc/63/83/91/437638391.db2.gz CRKGAAVIVPDRRK-UHFFFAOYSA-N 1 1 348.491 0.911 20 30 ECEDMO Cc1onc(CC(=O)NCC2CCN(CC[NH+](C)C)CC2)c1C#N ZINC000354739261 437648575 /nfs/dbraw/zinc/64/85/75/437648575.db2.gz LCDWLKGKOKFMEQ-UHFFFAOYSA-N 1 1 333.436 0.787 20 30 ECEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000354841586 437652743 /nfs/dbraw/zinc/65/27/43/437652743.db2.gz FDTZDYYNPSZIJH-CYBMUJFWSA-N 1 1 348.451 1.511 20 30 ECEDMO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc(C#N)o1 ZINC000361165608 437657220 /nfs/dbraw/zinc/65/72/20/437657220.db2.gz KBUIZQIRINFVTM-UHFFFAOYSA-N 1 1 342.402 0.690 20 30 ECEDMO C[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)CN1CC[NH+](C)CC1 ZINC000361440392 437663735 /nfs/dbraw/zinc/66/37/35/437663735.db2.gz OXVLXTZBBQKOES-DOTOQJQBSA-N 1 1 348.495 0.252 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000292224944 437670886 /nfs/dbraw/zinc/67/08/86/437670886.db2.gz AJJHVNYFKPVRDX-UONOGXRCSA-N 1 1 341.477 0.249 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C)S(=O)(=O)CC2)CC1 ZINC000192386285 437675725 /nfs/dbraw/zinc/67/57/25/437675725.db2.gz QCRZIRYCVYYHIT-CYBMUJFWSA-N 1 1 329.466 0.855 20 30 ECEDMO CO[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@H]1OC ZINC000331104297 437689843 /nfs/dbraw/zinc/68/98/43/437689843.db2.gz HVDXTNFNZAYCHW-RFQIPJPRSA-N 1 1 327.425 0.941 20 30 ECEDMO CO[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@H]1OC ZINC000331104297 437689849 /nfs/dbraw/zinc/68/98/49/437689849.db2.gz HVDXTNFNZAYCHW-RFQIPJPRSA-N 1 1 327.425 0.941 20 30 ECEDMO C=C[C@H](CO)NC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000292671671 437711026 /nfs/dbraw/zinc/71/10/26/437711026.db2.gz ZKZCQYMFEIOQED-QGZVFWFLSA-N 1 1 332.448 0.780 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000363004393 437765264 /nfs/dbraw/zinc/76/52/64/437765264.db2.gz AWGQHYKGRZENMR-QLFBSQMISA-N 1 1 338.452 0.572 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000363004393 437765268 /nfs/dbraw/zinc/76/52/68/437765268.db2.gz AWGQHYKGRZENMR-QLFBSQMISA-N 1 1 338.452 0.572 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000363004393 437765271 /nfs/dbraw/zinc/76/52/71/437765271.db2.gz AWGQHYKGRZENMR-QLFBSQMISA-N 1 1 338.452 0.572 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000363004393 437765272 /nfs/dbraw/zinc/76/52/72/437765272.db2.gz AWGQHYKGRZENMR-QLFBSQMISA-N 1 1 338.452 0.572 20 30 ECEDMO COC[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000331258962 437726999 /nfs/dbraw/zinc/72/69/99/437726999.db2.gz GRDUQGUGIHQKSZ-ZNMIVQPWSA-N 1 1 329.441 0.604 20 30 ECEDMO CC[C@@]1(CO)CCCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000331277309 437732852 /nfs/dbraw/zinc/73/28/52/437732852.db2.gz YJHXDBVGWQNLOA-INIZCTEOSA-N 1 1 326.441 0.301 20 30 ECEDMO C[C@@H](CCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[S@](C)=O ZINC000331287078 437733422 /nfs/dbraw/zinc/73/34/22/437733422.db2.gz NRYHVKDYARMQEB-IFMYKAFSSA-N 1 1 333.498 0.835 20 30 ECEDMO C[C@@H](CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[S@](C)=O ZINC000331287078 437733425 /nfs/dbraw/zinc/73/34/25/437733425.db2.gz NRYHVKDYARMQEB-IFMYKAFSSA-N 1 1 333.498 0.835 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CNc1ccc(C#N)cn1 ZINC000331302252 437737523 /nfs/dbraw/zinc/73/75/23/437737523.db2.gz VMOBXFDBQATLKC-ZDUSSCGKSA-N 1 1 331.420 0.669 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCC[N@H+]1C ZINC000344434869 437754123 /nfs/dbraw/zinc/75/41/23/437754123.db2.gz UVJRHWLITXXWSX-AAEUAGOBSA-N 1 1 346.435 1.047 20 30 ECEDMO C[C@@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)n1cnc(C#N)n1 ZINC000344463010 437755361 /nfs/dbraw/zinc/75/53/61/437755361.db2.gz PTAKHKNMJKAGJD-UPJWGTAASA-N 1 1 334.424 0.715 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000363521181 437794742 /nfs/dbraw/zinc/79/47/42/437794742.db2.gz XOBDNVUQASZIMS-HOTGVXAUSA-N 1 1 335.452 0.479 20 30 ECEDMO COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)nn1 ZINC000363905707 437808234 /nfs/dbraw/zinc/80/82/34/437808234.db2.gz DFLQZWIDSYWRCU-ZBFHGGJFSA-N 1 1 341.371 0.917 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000363901783 437809066 /nfs/dbraw/zinc/80/90/66/437809066.db2.gz ZTQRRMZSVAJPAB-ZDUSSCGKSA-N 1 1 335.408 0.736 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000363901783 437809070 /nfs/dbraw/zinc/80/90/70/437809070.db2.gz ZTQRRMZSVAJPAB-ZDUSSCGKSA-N 1 1 335.408 0.736 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000364220630 437812872 /nfs/dbraw/zinc/81/28/72/437812872.db2.gz JGBYMTSNOFKSDA-RDJZCZTQSA-N 1 1 348.495 0.394 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371306198 437916756 /nfs/dbraw/zinc/91/67/56/437916756.db2.gz SJVLMUYIWDOZOU-DOTOQJQBSA-N 1 1 335.496 0.847 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371306198 437916760 /nfs/dbraw/zinc/91/67/60/437916760.db2.gz SJVLMUYIWDOZOU-DOTOQJQBSA-N 1 1 335.496 0.847 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)C1 ZINC000365724857 437959501 /nfs/dbraw/zinc/95/95/01/437959501.db2.gz ODCRABXJJSADJK-DOTOQJQBSA-N 1 1 328.416 0.974 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)C1 ZINC000365724857 437959508 /nfs/dbraw/zinc/95/95/08/437959508.db2.gz ODCRABXJJSADJK-DOTOQJQBSA-N 1 1 328.416 0.974 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000371743296 437987383 /nfs/dbraw/zinc/98/73/83/437987383.db2.gz IGTMIWVDJDHLLI-AGUYFDCRSA-N 1 1 329.466 0.902 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000425321282 438020391 /nfs/dbraw/zinc/02/03/91/438020391.db2.gz RQKULSNJAPTFLJ-YOEHRIQHSA-N 1 1 325.453 0.884 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425373159 438024823 /nfs/dbraw/zinc/02/48/23/438024823.db2.gz LPCVWJTUKBSRQS-UHFFFAOYSA-N 1 1 325.453 0.980 20 30 ECEDMO CN(CCC[NH+]1CCN(C)CC1)CC(=O)N(CCC#N)CCC#N ZINC000342526776 438025876 /nfs/dbraw/zinc/02/58/76/438025876.db2.gz BCKWQDDGZGDGBU-UHFFFAOYSA-N 1 1 334.468 0.212 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000348186473 438028536 /nfs/dbraw/zinc/02/85/36/438028536.db2.gz NQGUVTFHTLLSIF-DCTKJOLLSA-N 1 1 336.436 0.228 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000425908560 438047448 /nfs/dbraw/zinc/04/74/48/438047448.db2.gz INYODYQCZUAMAG-BPUTZDHNSA-N 1 1 335.448 0.827 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366485931 438085355 /nfs/dbraw/zinc/08/53/55/438085355.db2.gz XAYTTWYTFRCEJA-HKUYNNGSSA-N 1 1 347.507 0.706 20 30 ECEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000348801952 438104343 /nfs/dbraw/zinc/10/43/43/438104343.db2.gz BKNCTYUADBLUPL-LBPRGKRZSA-N 1 1 334.424 0.890 20 30 ECEDMO C=CCCC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000357962497 438108968 /nfs/dbraw/zinc/10/89/68/438108968.db2.gz YZTSTFLXFYDPJF-UHFFFAOYSA-N 1 1 336.480 0.649 20 30 ECEDMO C=CCN1CC(=O)N(C2CC[NH+](CC(=O)N3CCCC3)CC2)C1=O ZINC000372866273 438115218 /nfs/dbraw/zinc/11/52/18/438115218.db2.gz OUDSZSMXFKWSNU-UHFFFAOYSA-N 1 1 334.420 0.523 20 30 ECEDMO C=CCC(C)(C)CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418219034 438119084 /nfs/dbraw/zinc/11/90/84/438119084.db2.gz ROVGUMJFGBUPMU-UHFFFAOYSA-N 1 1 344.481 0.218 20 30 ECEDMO COC(=O)c1cn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000358040310 438128844 /nfs/dbraw/zinc/12/88/44/438128844.db2.gz YEJOXPCKHFBXIR-STQMWFEESA-N 1 1 348.407 0.462 20 30 ECEDMO COC(=O)c1cn([C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000358040310 438128848 /nfs/dbraw/zinc/12/88/48/438128848.db2.gz YEJOXPCKHFBXIR-STQMWFEESA-N 1 1 348.407 0.462 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373397622 438148293 /nfs/dbraw/zinc/14/82/93/438148293.db2.gz BOUOOHHGIVLJCI-NSHDSACASA-N 1 1 331.380 0.187 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358211497 438182739 /nfs/dbraw/zinc/18/27/39/438182739.db2.gz QXQOABAYCBJJQW-UONOGXRCSA-N 1 1 329.466 0.576 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])CCN1Cc1ccccc1 ZINC000418511514 438155444 /nfs/dbraw/zinc/15/54/44/438155444.db2.gz JQWLAJQZPDZKEC-CQSZACIVSA-N 1 1 337.374 1.000 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(N2C(=O)CCCC2=O)CC1 ZINC000375317957 438247359 /nfs/dbraw/zinc/24/73/59/438247359.db2.gz IYRDLNGUZCVAOV-CYBMUJFWSA-N 1 1 334.420 0.750 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000375502966 438255688 /nfs/dbraw/zinc/25/56/88/438255688.db2.gz YAMIGPAXLAZCRH-AWEZNQCLSA-N 1 1 337.445 0.944 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000375502966 438255692 /nfs/dbraw/zinc/25/56/92/438255692.db2.gz YAMIGPAXLAZCRH-AWEZNQCLSA-N 1 1 337.445 0.944 20 30 ECEDMO C=CCN(CCOC)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000358637017 438269905 /nfs/dbraw/zinc/26/99/05/438269905.db2.gz MHQWCAABORHRFP-HNNXBMFYSA-N 1 1 340.468 0.773 20 30 ECEDMO N#CCNC(=O)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000376245164 438277139 /nfs/dbraw/zinc/27/71/39/438277139.db2.gz YEUSZWUSPYAQFO-OAHLLOKOSA-N 1 1 329.404 0.590 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(N2C(=O)CCCC2=O)CC1 ZINC000375315912 438248340 /nfs/dbraw/zinc/24/83/40/438248340.db2.gz BRTXQIUFKFHJNO-CQSZACIVSA-N 1 1 348.447 0.998 20 30 ECEDMO C[C@]1(CNC(=O)NCC(=O)NCC#N)CCC[N@H+]1Cc1ccccc1 ZINC000367790581 438250653 /nfs/dbraw/zinc/25/06/53/438250653.db2.gz GVGGHGGYCWDXML-GOSISDBHSA-N 1 1 343.431 0.980 20 30 ECEDMO CN1C(=O)NC2(CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)C1=O ZINC000377677135 438324665 /nfs/dbraw/zinc/32/46/65/438324665.db2.gz IUDBCVWDNQVVLH-UHFFFAOYSA-N 1 1 338.371 0.722 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000359352667 438417214 /nfs/dbraw/zinc/41/72/14/438417214.db2.gz PCNWXTHYJIIKLP-HNNXBMFYSA-N 1 1 349.479 0.100 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)c1 ZINC000407973846 438476363 /nfs/dbraw/zinc/47/63/63/438476363.db2.gz LEQYRVRYZNAFHY-CQSZACIVSA-N 1 1 337.449 0.991 20 30 ECEDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352889413 438488151 /nfs/dbraw/zinc/48/81/51/438488151.db2.gz YNFMWGJFWMNJQP-XYPHTWIQSA-N 1 1 328.416 0.880 20 30 ECEDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352889413 438488154 /nfs/dbraw/zinc/48/81/54/438488154.db2.gz YNFMWGJFWMNJQP-XYPHTWIQSA-N 1 1 328.416 0.880 20 30 ECEDMO N#CC1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000369348237 438457251 /nfs/dbraw/zinc/45/72/51/438457251.db2.gz SGPPGYHPLSFXGF-INIZCTEOSA-N 1 1 334.464 0.983 20 30 ECEDMO CC[N@H+]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H](C)C1 ZINC000352674327 438460395 /nfs/dbraw/zinc/46/03/95/438460395.db2.gz PTWLDJIXFYEQOE-DLBZAZTESA-N 1 1 335.496 0.705 20 30 ECEDMO C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050925 438544919 /nfs/dbraw/zinc/54/49/19/438544919.db2.gz UGDUNJJXFUXEPN-HZPDHXFCSA-N 1 1 334.464 0.934 20 30 ECEDMO C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050925 438544920 /nfs/dbraw/zinc/54/49/20/438544920.db2.gz UGDUNJJXFUXEPN-HZPDHXFCSA-N 1 1 334.464 0.934 20 30 ECEDMO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000441245703 438580648 /nfs/dbraw/zinc/58/06/48/438580648.db2.gz NLZOQXIONZCPFC-GOEBONIOSA-N 1 1 325.409 0.287 20 30 ECEDMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccco1 ZINC000444595914 438663735 /nfs/dbraw/zinc/66/37/35/438663735.db2.gz XNEYJWJRBNWCOY-GFCCVEGCSA-N 1 1 344.375 0.747 20 30 ECEDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000447390912 438676715 /nfs/dbraw/zinc/67/67/15/438676715.db2.gz CTZAKHSQJNMRQQ-CABCVRRESA-N 1 1 327.425 0.094 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000447394300 438677092 /nfs/dbraw/zinc/67/70/92/438677092.db2.gz QDGCWEPEJOBJQU-BFYDXBDKSA-N 1 1 341.452 0.387 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000447394300 438677096 /nfs/dbraw/zinc/67/70/96/438677096.db2.gz QDGCWEPEJOBJQU-BFYDXBDKSA-N 1 1 341.452 0.387 20 30 ECEDMO C=CC[N@H+](C)CCN(CC)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000411642533 438680467 /nfs/dbraw/zinc/68/04/67/438680467.db2.gz NLRSTKWIKDLHES-INIZCTEOSA-N 1 1 338.496 0.943 20 30 ECEDMO COC(=O)[C@H]1CN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC[N@@H+](C)C1 ZINC000411900069 438683802 /nfs/dbraw/zinc/68/38/02/438683802.db2.gz DCOVPYLESNCJBG-CPUCHLNUSA-N 1 1 338.452 0.466 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000453655632 438686332 /nfs/dbraw/zinc/68/63/32/438686332.db2.gz MFQNDZYGRXYLAE-UHFFFAOYSA-N 1 1 332.404 0.890 20 30 ECEDMO CC(C)(CC#N)CS(=O)(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000451156438 438696499 /nfs/dbraw/zinc/69/64/99/438696499.db2.gz DTKGMTWRMWNCES-ZDUSSCGKSA-N 1 1 344.481 0.433 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1F ZINC000453821560 438697306 /nfs/dbraw/zinc/69/73/06/438697306.db2.gz PCMSGHBDXADKKK-AWEZNQCLSA-N 1 1 348.378 0.599 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cncc(C(=O)OC)c2)CC1 ZINC000575939294 438762291 /nfs/dbraw/zinc/76/22/91/438762291.db2.gz NKAPAYQLJZIVLV-UHFFFAOYSA-N 1 1 339.417 0.797 20 30 ECEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC2(C#N)CC2)cc1 ZINC000576092234 438767661 /nfs/dbraw/zinc/76/76/61/438767661.db2.gz PKHYSDCMIMXXLI-UHFFFAOYSA-N 1 1 343.387 0.545 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)CC1 ZINC000595741144 438855275 /nfs/dbraw/zinc/85/52/75/438855275.db2.gz DSCUGVRYJVPCSG-HPFXQQBRSA-N 1 1 336.480 0.627 20 30 ECEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863652 438845145 /nfs/dbraw/zinc/84/51/45/438845145.db2.gz SKYAQGKBJHVVHP-NUEKZKHPSA-N 1 1 329.400 0.993 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000601440378 438896369 /nfs/dbraw/zinc/89/63/69/438896369.db2.gz QJIFQZYVUXHHDA-CQSZACIVSA-N 1 1 344.481 0.652 20 30 ECEDMO C=C(C)COCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458594030 438901548 /nfs/dbraw/zinc/90/15/48/438901548.db2.gz YCSAVCJFGPSUKV-UHFFFAOYSA-N 1 1 341.452 0.760 20 30 ECEDMO C[N@@H+]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC12CCCCC2 ZINC000601460442 438904314 /nfs/dbraw/zinc/90/43/14/438904314.db2.gz UYJAKXZPGUSFSI-AWEZNQCLSA-N 1 1 342.465 0.406 20 30 ECEDMO C[N@H+]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC12CCCCC2 ZINC000601460442 438904317 /nfs/dbraw/zinc/90/43/17/438904317.db2.gz UYJAKXZPGUSFSI-AWEZNQCLSA-N 1 1 342.465 0.406 20 30 ECEDMO C=CCOCCCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000595766321 438858078 /nfs/dbraw/zinc/85/80/78/438858078.db2.gz DZXKMHLAPYFBIJ-AWEZNQCLSA-N 1 1 327.425 0.858 20 30 ECEDMO C=CCOCCCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000595766321 438858084 /nfs/dbraw/zinc/85/80/84/438858084.db2.gz DZXKMHLAPYFBIJ-AWEZNQCLSA-N 1 1 327.425 0.858 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3[C@@H](C)O)CC2)o1 ZINC000595766142 438858776 /nfs/dbraw/zinc/85/87/76/438858776.db2.gz MKCNESRNGNJDQQ-IUODEOHRSA-N 1 1 347.419 0.349 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N(C)Cc1cccc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000589139089 438858927 /nfs/dbraw/zinc/85/89/27/438858927.db2.gz OBJBMWCLDLMMGJ-CJNGLKHVSA-N 1 1 344.415 0.352 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N(C)Cc1cccc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000589139089 438858933 /nfs/dbraw/zinc/85/89/33/438858933.db2.gz OBJBMWCLDLMMGJ-CJNGLKHVSA-N 1 1 344.415 0.352 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595825208 438867507 /nfs/dbraw/zinc/86/75/07/438867507.db2.gz CVWWYNZXSHCOGG-NEPJUHHUSA-N 1 1 325.413 0.074 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595825208 438867510 /nfs/dbraw/zinc/86/75/10/438867510.db2.gz CVWWYNZXSHCOGG-NEPJUHHUSA-N 1 1 325.413 0.074 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)CN3CC[NH+](C)CC3)CC2)c1C#N ZINC000589651955 438880034 /nfs/dbraw/zinc/88/00/34/438880034.db2.gz MJKBAUUCFFCHSA-UHFFFAOYSA-N 1 1 348.476 0.219 20 30 ECEDMO CCN(C)C(=O)CNc1cc(C)[nH+]c(NCC(=O)N(C)CC)c1C#N ZINC000596194986 438939216 /nfs/dbraw/zinc/93/92/16/438939216.db2.gz KDBDQDVMOZCLDH-UHFFFAOYSA-N 1 1 346.435 1.042 20 30 ECEDMO CCC(CC)(NC(=O)C1C[NH+](Cc2cc(C#N)n(C)c2)C1)C(N)=O ZINC000459632432 438980182 /nfs/dbraw/zinc/98/01/82/438980182.db2.gz NDCXLDNTJXXNML-UHFFFAOYSA-N 1 1 331.420 0.489 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1Cl ZINC000596621850 438980965 /nfs/dbraw/zinc/98/09/65/438980965.db2.gz QEEHZKZNNXRZOD-YPMHNXCESA-N 1 1 336.779 0.461 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)cc1Cl ZINC000596621850 438980968 /nfs/dbraw/zinc/98/09/68/438980968.db2.gz QEEHZKZNNXRZOD-YPMHNXCESA-N 1 1 336.779 0.461 20 30 ECEDMO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1c(Br)cnn1C ZINC000601967030 438993924 /nfs/dbraw/zinc/99/39/24/438993924.db2.gz HNHQNTPNTQWWHB-JTQLQIEISA-N 1 1 330.230 0.479 20 30 ECEDMO N#Cc1ccc(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000591272074 438995919 /nfs/dbraw/zinc/99/59/19/438995919.db2.gz BJFJSNGHMUIRGG-UHFFFAOYSA-N 1 1 349.416 0.009 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000459820461 439008526 /nfs/dbraw/zinc/00/85/26/439008526.db2.gz IKKYNQJTMBGANW-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000459820461 439008531 /nfs/dbraw/zinc/00/85/31/439008531.db2.gz IKKYNQJTMBGANW-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO CN(CCC#N)C[C@H](O)CNc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000566125622 439009574 /nfs/dbraw/zinc/00/95/74/439009574.db2.gz PDQSSMFVEHVWCB-MRXNPFEDSA-N 1 1 333.436 0.805 20 30 ECEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602243572 439045946 /nfs/dbraw/zinc/04/59/46/439045946.db2.gz KZIHXMNQVFDUJV-INIZCTEOSA-N 1 1 349.479 0.425 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000520650486 439092506 /nfs/dbraw/zinc/09/25/06/439092506.db2.gz YIEZGDAISLZUSR-HIFRSBDPSA-N 1 1 341.477 0.567 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000520650486 439092510 /nfs/dbraw/zinc/09/25/10/439092510.db2.gz YIEZGDAISLZUSR-HIFRSBDPSA-N 1 1 341.477 0.567 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000597471679 439105878 /nfs/dbraw/zinc/10/58/78/439105878.db2.gz YXXNNYIWUQDOSI-HIFRSBDPSA-N 1 1 339.436 0.553 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000597471679 439105882 /nfs/dbraw/zinc/10/58/82/439105882.db2.gz YXXNNYIWUQDOSI-HIFRSBDPSA-N 1 1 339.436 0.553 20 30 ECEDMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCN(CCC#N)CC1 ZINC000602604488 439115388 /nfs/dbraw/zinc/11/53/88/439115388.db2.gz QSSCYTPMAPYBSN-KRWDZBQOSA-N 1 1 329.448 0.504 20 30 ECEDMO CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000602604488 439115394 /nfs/dbraw/zinc/11/53/94/439115394.db2.gz QSSCYTPMAPYBSN-KRWDZBQOSA-N 1 1 329.448 0.504 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3nnc(N)cc3C2)cc1 ZINC000580666391 439117837 /nfs/dbraw/zinc/11/78/37/439117837.db2.gz PCLXWXKFUKCCEB-HNNXBMFYSA-N 1 1 339.399 0.923 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3nnc(N)cc3C2)cc1 ZINC000580666391 439117841 /nfs/dbraw/zinc/11/78/41/439117841.db2.gz PCLXWXKFUKCCEB-HNNXBMFYSA-N 1 1 339.399 0.923 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCC1(C#N)CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000597317680 439076860 /nfs/dbraw/zinc/07/68/60/439076860.db2.gz HAHFBIIMPPDWQJ-UONOGXRCSA-N 1 1 336.436 0.412 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCC1(C#N)CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000597317680 439076865 /nfs/dbraw/zinc/07/68/65/439076865.db2.gz HAHFBIIMPPDWQJ-UONOGXRCSA-N 1 1 336.436 0.412 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000591746492 439079528 /nfs/dbraw/zinc/07/95/28/439079528.db2.gz RBDSSNWHWWDGRW-AWEZNQCLSA-N 1 1 328.376 0.604 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000602944614 439167237 /nfs/dbraw/zinc/16/72/37/439167237.db2.gz VHNLQJRCPQRGOE-HNNXBMFYSA-N 1 1 346.435 0.376 20 30 ECEDMO N#Cc1ccncc1N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000567172793 439121494 /nfs/dbraw/zinc/12/14/94/439121494.db2.gz PEPZZXYCZNCRMW-IAGOWNOFSA-N 1 1 346.431 0.632 20 30 ECEDMO C[NH+](C)C1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000597564736 439127885 /nfs/dbraw/zinc/12/78/85/439127885.db2.gz XFQGBZNUNVAXBR-HNNXBMFYSA-N 1 1 326.400 0.870 20 30 ECEDMO N#Cc1ccncc1N1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000567327264 439133268 /nfs/dbraw/zinc/13/32/68/439133268.db2.gz PXRRCAFFRROWPL-CALCHBBNSA-N 1 1 327.432 0.938 20 30 ECEDMO N#Cc1ccncc1N1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000567327264 439133272 /nfs/dbraw/zinc/13/32/72/439133272.db2.gz PXRRCAFFRROWPL-CALCHBBNSA-N 1 1 327.432 0.938 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000487709003 439160068 /nfs/dbraw/zinc/16/00/68/439160068.db2.gz VFYIDDPZHNKLAA-COXVUDFISA-N 1 1 340.427 0.973 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000487709005 439160344 /nfs/dbraw/zinc/16/03/44/439160344.db2.gz VFYIDDPZHNKLAA-XOKHGSTOSA-N 1 1 340.427 0.973 20 30 ECEDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)cn1 ZINC000602944544 439166106 /nfs/dbraw/zinc/16/61/06/439166106.db2.gz UFORJSVZTWFBHV-GJZGRUSLSA-N 1 1 333.436 0.915 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000592186622 439174949 /nfs/dbraw/zinc/17/49/49/439174949.db2.gz WQEKOJZYMZCDAQ-CYBMUJFWSA-N 1 1 332.326 0.549 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000592186622 439174952 /nfs/dbraw/zinc/17/49/52/439174952.db2.gz WQEKOJZYMZCDAQ-CYBMUJFWSA-N 1 1 332.326 0.549 20 30 ECEDMO CCCN(C(=O)C(=O)Nc1cc(C)nn1CCC#N)[C@@H]1CC[N@@H+](C)C1 ZINC000592300292 439194966 /nfs/dbraw/zinc/19/49/66/439194966.db2.gz JXHHNMBTSAIDNA-CQSZACIVSA-N 1 1 346.435 0.986 20 30 ECEDMO COCC(COC)[NH+]1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603123421 439196447 /nfs/dbraw/zinc/19/64/47/439196447.db2.gz OHAWYRDJCQFMMG-UHFFFAOYSA-N 1 1 333.392 0.764 20 30 ECEDMO C[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1CC(C)(C)O ZINC000592509015 439243790 /nfs/dbraw/zinc/24/37/90/439243790.db2.gz DYBSVFQUXRFUBW-ZDUSSCGKSA-N 1 1 328.420 0.878 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000527050788 439251157 /nfs/dbraw/zinc/25/11/57/439251157.db2.gz CRJGFIWDIWQDPU-LSDHHAIUSA-N 1 1 348.447 0.508 20 30 ECEDMO C[C@@]1(C#N)CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000598410755 439260478 /nfs/dbraw/zinc/26/04/78/439260478.db2.gz FWBUVDUONQGACH-YJBOKZPZSA-N 1 1 348.447 0.462 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000598601109 439284748 /nfs/dbraw/zinc/28/47/48/439284748.db2.gz ZIZNHCVGDFKGIU-ILXRZTDVSA-N 1 1 344.477 0.955 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000598601109 439284750 /nfs/dbraw/zinc/28/47/50/439284750.db2.gz ZIZNHCVGDFKGIU-ILXRZTDVSA-N 1 1 344.477 0.955 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000598824051 439318227 /nfs/dbraw/zinc/31/82/27/439318227.db2.gz MIAJTYVSSDMLII-DZGCQCFKSA-N 1 1 339.436 0.553 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000598824051 439318231 /nfs/dbraw/zinc/31/82/31/439318231.db2.gz MIAJTYVSSDMLII-DZGCQCFKSA-N 1 1 339.436 0.553 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC ZINC000491067866 439327339 /nfs/dbraw/zinc/32/73/39/439327339.db2.gz KOTUMKAGBCPNDA-KGLIPLIRSA-N 1 1 330.450 0.593 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000491070545 439328634 /nfs/dbraw/zinc/32/86/34/439328634.db2.gz DDJQTCNYSLCMSF-UHFFFAOYSA-N 1 1 330.388 0.504 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C[C@@H](c3cccnc3)CC2=O)CC1 ZINC000491068692 439328840 /nfs/dbraw/zinc/32/88/40/439328840.db2.gz PWSBIPGHGGRLFV-KRWDZBQOSA-N 1 1 340.427 0.816 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)C1CCN(C(=O)OCC)CC1 ZINC000491120845 439334674 /nfs/dbraw/zinc/33/46/74/439334674.db2.gz OARHNWCZSJCMPD-UHFFFAOYSA-N 1 1 345.465 0.482 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2nc(C)nc3[nH]ccc32)CC1 ZINC000490763229 439295579 /nfs/dbraw/zinc/29/55/79/439295579.db2.gz ORLKVKPFBVSGLD-UHFFFAOYSA-N 1 1 326.404 0.528 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2nc(C)nc3[nH]ccc32)CC1 ZINC000490763229 439295583 /nfs/dbraw/zinc/29/55/83/439295583.db2.gz ORLKVKPFBVSGLD-UHFFFAOYSA-N 1 1 326.404 0.528 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000490759915 439296072 /nfs/dbraw/zinc/29/60/72/439296072.db2.gz HYXPSEHFZQSAHB-UHFFFAOYSA-N 1 1 332.492 0.714 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)CC1 ZINC000490853821 439304852 /nfs/dbraw/zinc/30/48/52/439304852.db2.gz UUZLIHYGUNJCEF-QZTJIDSGSA-N 1 1 348.491 0.485 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)CC1 ZINC000490853821 439304858 /nfs/dbraw/zinc/30/48/58/439304858.db2.gz UUZLIHYGUNJCEF-QZTJIDSGSA-N 1 1 348.491 0.485 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000490916752 439311384 /nfs/dbraw/zinc/31/13/84/439311384.db2.gz VDKOXPNMGDSPHA-DZGCQCFKSA-N 1 1 339.461 0.303 20 30 ECEDMO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000491193385 439346902 /nfs/dbraw/zinc/34/69/02/439346902.db2.gz YQPHWDFZGFKKFW-KBXCAEBGSA-N 1 1 332.448 0.891 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000491203319 439348770 /nfs/dbraw/zinc/34/87/70/439348770.db2.gz VBMKVGKBLPPSBA-MRXNPFEDSA-N 1 1 341.411 0.833 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)CC1 ZINC000491221036 439352596 /nfs/dbraw/zinc/35/25/96/439352596.db2.gz SIUALKBCUYHJRU-QGZVFWFLSA-N 1 1 346.475 0.143 20 30 ECEDMO C#C[C@H]1COCCN1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000491371034 439371354 /nfs/dbraw/zinc/37/13/54/439371354.db2.gz CCOQRUKGBRGROT-ZWKOTPCHSA-N 1 1 343.427 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1nnn(Cc2noc(C)n2)c1C ZINC000491416798 439379295 /nfs/dbraw/zinc/37/92/95/439379295.db2.gz LVLRWQRFFIVFGA-ZDUSSCGKSA-N 1 1 344.375 0.581 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1nnn(Cc2noc(C)n2)c1C ZINC000491416798 439379298 /nfs/dbraw/zinc/37/92/98/439379298.db2.gz LVLRWQRFFIVFGA-ZDUSSCGKSA-N 1 1 344.375 0.581 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cc1csc(N2CCOCC2)n1 ZINC000491408935 439380771 /nfs/dbraw/zinc/38/07/71/439380771.db2.gz XTQXSTLGXVHWKJ-UHFFFAOYSA-N 1 1 336.461 0.594 20 30 ECEDMO C[N@@H+](CC(=O)N1CCOCC1)C[C@@H](O)COc1ccccc1C#N ZINC000599261049 439404363 /nfs/dbraw/zinc/40/43/63/439404363.db2.gz KQUMXNVBQTYFHG-OAHLLOKOSA-N 1 1 333.388 0.089 20 30 ECEDMO C[N@H+](CC(=O)N1CCOCC1)C[C@@H](O)COc1ccccc1C#N ZINC000599261049 439404367 /nfs/dbraw/zinc/40/43/67/439404367.db2.gz KQUMXNVBQTYFHG-OAHLLOKOSA-N 1 1 333.388 0.089 20 30 ECEDMO N#CC1(C[C@H](O)C[NH+]2CCN(c3cnccn3)CC2)CCOCC1 ZINC000599274060 439411189 /nfs/dbraw/zinc/41/11/89/439411189.db2.gz XLSXDHMRYHOYSJ-HNNXBMFYSA-N 1 1 331.420 0.670 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)[C@]3(CCCO3)[C@H]2C2CC2)CC1 ZINC000491748320 439441361 /nfs/dbraw/zinc/44/13/61/439441361.db2.gz RAUKBNCSVGFXNC-APWZRJJASA-N 1 1 345.443 0.575 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000491787896 439450824 /nfs/dbraw/zinc/45/08/24/439450824.db2.gz WMIWVGCMWVVNSK-UHFFFAOYSA-N 1 1 331.391 0.903 20 30 ECEDMO C#C[C@H](C)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000491788656 439452265 /nfs/dbraw/zinc/45/22/65/439452265.db2.gz XRUPTTUZZZHMEU-HNNXBMFYSA-N 1 1 349.456 0.473 20 30 ECEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000491788656 439452268 /nfs/dbraw/zinc/45/22/68/439452268.db2.gz XRUPTTUZZZHMEU-HNNXBMFYSA-N 1 1 349.456 0.473 20 30 ECEDMO COC(=O)[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000599438115 439468009 /nfs/dbraw/zinc/46/80/09/439468009.db2.gz MCLUWEKLKFHVIX-JKSUJKDBSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@H]1CN(C)CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000599438115 439468016 /nfs/dbraw/zinc/46/80/16/439468016.db2.gz MCLUWEKLKFHVIX-JKSUJKDBSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@H]1CN(C)CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000599438115 439468019 /nfs/dbraw/zinc/46/80/19/439468019.db2.gz MCLUWEKLKFHVIX-JKSUJKDBSA-N 1 1 347.415 0.335 20 30 ECEDMO N#CC1(C[C@H](O)C[NH+]2CCN(c3ncns3)CC2)CCOCC1 ZINC000599434242 439468866 /nfs/dbraw/zinc/46/88/66/439468866.db2.gz WAFZGGKRXWAWDS-ZDUSSCGKSA-N 1 1 337.449 0.731 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599451789 439473493 /nfs/dbraw/zinc/47/34/93/439473493.db2.gz IIKQGKAAXKRZDF-ILXRZTDVSA-N 1 1 334.372 0.154 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000492042195 439486077 /nfs/dbraw/zinc/48/60/77/439486077.db2.gz AKKLZQWPAPLBBP-LBPRGKRZSA-N 1 1 340.424 0.939 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000492042195 439486081 /nfs/dbraw/zinc/48/60/81/439486081.db2.gz AKKLZQWPAPLBBP-LBPRGKRZSA-N 1 1 340.424 0.939 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000599562211 439506051 /nfs/dbraw/zinc/50/60/51/439506051.db2.gz FPPZPETWRXQDEM-KRWDZBQOSA-N 1 1 331.372 0.438 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000599562211 439506056 /nfs/dbraw/zinc/50/60/56/439506056.db2.gz FPPZPETWRXQDEM-KRWDZBQOSA-N 1 1 331.372 0.438 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000491815008 439458569 /nfs/dbraw/zinc/45/85/69/439458569.db2.gz FEWWEYVPQQCHGO-AWEZNQCLSA-N 1 1 329.466 0.550 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000491815008 439458573 /nfs/dbraw/zinc/45/85/73/439458573.db2.gz FEWWEYVPQQCHGO-AWEZNQCLSA-N 1 1 329.466 0.550 20 30 ECEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000533324868 439525108 /nfs/dbraw/zinc/52/51/08/439525108.db2.gz WLGUMEUMJUNGDK-ZDUSSCGKSA-N 1 1 334.424 0.890 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(c3ncncc3C#N)CC2)CC1 ZINC000572151582 439560657 /nfs/dbraw/zinc/56/06/57/439560657.db2.gz UMXHBRPJODEDDQ-UHFFFAOYSA-N 1 1 328.420 0.729 20 30 ECEDMO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000594427087 439561077 /nfs/dbraw/zinc/56/10/77/439561077.db2.gz STPCWSCOKJKFCU-HUUCEWRRSA-N 1 1 335.452 0.068 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 ZINC000609672420 439583043 /nfs/dbraw/zinc/58/30/43/439583043.db2.gz GIUHOVVFXUPVII-KRWDZBQOSA-N 1 1 346.479 0.354 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000584599200 439602842 /nfs/dbraw/zinc/60/28/42/439602842.db2.gz SCOOENVTLQXQAW-SJORKVTESA-N 1 1 333.432 0.539 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 ZINC000584663632 439606985 /nfs/dbraw/zinc/60/69/85/439606985.db2.gz IBCMSCZSQWXPQE-UONOGXRCSA-N 1 1 328.420 0.727 20 30 ECEDMO CN1CC[NH+](CCCCNS(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000573409688 439644824 /nfs/dbraw/zinc/64/48/24/439644824.db2.gz YGYMTTFZJYJPRD-UHFFFAOYSA-N 1 1 337.449 0.259 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000585727709 439646574 /nfs/dbraw/zinc/64/65/74/439646574.db2.gz GGMPZFIDQBWIQE-AWEZNQCLSA-N 1 1 346.431 0.820 20 30 ECEDMO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(c3cnccc3C#N)CC2)C1 ZINC000573635046 439657785 /nfs/dbraw/zinc/65/77/85/439657785.db2.gz FWRNWAAJBQNLBD-CQSZACIVSA-N 1 1 349.460 0.357 20 30 ECEDMO Cc1ccc(N2CCC(C(=O)NCCn3cnc(C#N)n3)CC2)[nH+]c1 ZINC000586827951 439663766 /nfs/dbraw/zinc/66/37/66/439663766.db2.gz APLNHFYHZVJKEQ-UHFFFAOYSA-N 1 1 339.403 0.886 20 30 ECEDMO N#Cc1c(F)cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000600234882 439627882 /nfs/dbraw/zinc/62/78/82/439627882.db2.gz UKGDHABQSWGDPT-AWEZNQCLSA-N 1 1 336.342 0.906 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000646915624 439932760 /nfs/dbraw/zinc/93/27/60/439932760.db2.gz RLNKHMVMQDIBES-GOEBONIOSA-N 1 1 349.456 0.927 20 30 ECEDMO C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000647371275 440045591 /nfs/dbraw/zinc/04/55/91/440045591.db2.gz NTCXQPRFXVJFIT-RRFJBIMHSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000647371275 440045596 /nfs/dbraw/zinc/04/55/96/440045596.db2.gz NTCXQPRFXVJFIT-RRFJBIMHSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000654599032 440358621 /nfs/dbraw/zinc/35/86/21/440358621.db2.gz OPVNHOAOLDJYGL-MELADBBJSA-N 1 1 336.440 0.761 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000654599032 440358626 /nfs/dbraw/zinc/35/86/26/440358626.db2.gz OPVNHOAOLDJYGL-MELADBBJSA-N 1 1 336.440 0.761 20 30 ECEDMO C=CCCc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627982684 440376875 /nfs/dbraw/zinc/37/68/75/440376875.db2.gz WKBIYQZJMJPFIL-OAHLLOKOSA-N 1 1 331.416 0.927 20 30 ECEDMO C=CCNC(=O)c1ccc(N2CC[NH+](CCOCCOC)CC2)nc1 ZINC000651487240 440846856 /nfs/dbraw/zinc/84/68/56/440846856.db2.gz UWQJNWTUUJBHIL-UHFFFAOYSA-N 1 1 348.447 0.782 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC000639973787 440847036 /nfs/dbraw/zinc/84/70/36/440847036.db2.gz OOHWEJMCVJXAEM-GJZGRUSLSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC000639973787 440847041 /nfs/dbraw/zinc/84/70/41/440847041.db2.gz OOHWEJMCVJXAEM-GJZGRUSLSA-N 1 1 331.420 0.401 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccnc1C#N ZINC000563587125 322330487 /nfs/dbraw/zinc/33/04/87/322330487.db2.gz YUYLTFVFRRMCMO-UHFFFAOYSA-N 1 1 325.438 0.067 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@H]3CCCCN3C2=O)nc1 ZINC000579583824 322900956 /nfs/dbraw/zinc/90/09/56/322900956.db2.gz NQOSBPWVSGFHDL-KGLIPLIRSA-N 1 1 348.428 0.470 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078006134 782119505 /nfs/dbraw/zinc/11/95/05/782119505.db2.gz TUNDGPCXOOLCJK-RCCFBDPRSA-N 1 1 342.443 0.561 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC001041755342 782134687 /nfs/dbraw/zinc/13/46/87/782134687.db2.gz LRLNKKSPWXYMSC-SFHVURJKSA-N 1 1 330.432 0.971 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000340377317 517315568 /nfs/dbraw/zinc/31/55/68/517315568.db2.gz JMYNWYPRKMWCJO-UHFFFAOYSA-N 1 1 338.452 0.128 20 30 ECEDMO O=C(NCCS(=O)(=O)NC1CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328641093 546002641 /nfs/dbraw/zinc/00/26/41/546002641.db2.gz DAWDTSWZBSLPNM-CHWSQXEVSA-N 1 1 330.454 0.199 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000329208788 546016599 /nfs/dbraw/zinc/01/65/99/546016599.db2.gz BVLAXBOJMPZQHK-MELADBBJSA-N 1 1 337.420 0.839 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1CNc2ccnn2C1 ZINC000619264250 546312518 /nfs/dbraw/zinc/31/25/18/546312518.db2.gz CTPCNDANYKYZDT-UONOGXRCSA-N 1 1 338.419 0.797 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1CNc2ccnn2C1 ZINC000619264252 546312706 /nfs/dbraw/zinc/31/27/06/546312706.db2.gz CTPCNDANYKYZDT-ZIAGYGMSSA-N 1 1 338.419 0.797 20 30 ECEDMO Cn1cc([C@@H](CO)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)cn1 ZINC000625325796 547070616 /nfs/dbraw/zinc/07/06/16/547070616.db2.gz ZTOSYMYDJVMLRS-MRXNPFEDSA-N 1 1 338.367 0.343 20 30 ECEDMO C=C[C@@](C)(O)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000668451197 547659531 /nfs/dbraw/zinc/65/95/31/547659531.db2.gz NERGKJOSNLZNGO-VQIMIIECSA-N 1 1 345.443 0.937 20 30 ECEDMO C[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(C#N)c1 ZINC000678764025 549049477 /nfs/dbraw/zinc/04/94/77/549049477.db2.gz KDZUANDYBPRTND-SNVBAGLBSA-N 1 1 341.371 0.071 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685341756 549683490 /nfs/dbraw/zinc/68/34/90/549683490.db2.gz FXZDAEBWSZFFBM-ZBFHGGJFSA-N 1 1 349.431 0.672 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341756 549683493 /nfs/dbraw/zinc/68/34/93/549683493.db2.gz FXZDAEBWSZFFBM-ZBFHGGJFSA-N 1 1 349.431 0.672 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@H]2O)nc1 ZINC001078030391 782174807 /nfs/dbraw/zinc/17/48/07/782174807.db2.gz WWFSBNMRNOBWEJ-NANBGGJNSA-N 1 1 343.427 0.653 20 30 ECEDMO CC1(C)CN(c2cccc(S(N)(=O)=O)c2C#N)CC[N@H+]1CCO ZINC000755029046 579428067 /nfs/dbraw/zinc/42/80/67/579428067.db2.gz FCLFRKOLZMYTNR-UHFFFAOYSA-N 1 1 338.433 0.099 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@H](C(C)C)C2)c1=O ZINC000755918188 579441344 /nfs/dbraw/zinc/44/13/44/579441344.db2.gz BEHYFDZXUYXIBB-AWEZNQCLSA-N 1 1 334.420 0.479 20 30 ECEDMO C#CCCCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000758639459 579478545 /nfs/dbraw/zinc/47/85/45/579478545.db2.gz HHQFHLVVEANEIM-INIZCTEOSA-N 1 1 335.448 0.619 20 30 ECEDMO O=S1(=O)CC[C@H](N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000727251842 578157314 /nfs/dbraw/zinc/15/73/14/578157314.db2.gz ITVLHVOQESOFGQ-ZDUSSCGKSA-N 1 1 341.408 0.773 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)nc1 ZINC000728964400 578292018 /nfs/dbraw/zinc/29/20/18/578292018.db2.gz LWNMEZKKNPRHLE-MRXNPFEDSA-N 1 1 326.400 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000730279312 578304534 /nfs/dbraw/zinc/30/45/34/578304534.db2.gz YIFDFPJMDUALLO-SFHVURJKSA-N 1 1 339.439 0.998 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000730279312 578304535 /nfs/dbraw/zinc/30/45/35/578304535.db2.gz YIFDFPJMDUALLO-SFHVURJKSA-N 1 1 339.439 0.998 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000730281958 578304643 /nfs/dbraw/zinc/30/46/43/578304643.db2.gz CHIZXWAOOSJHDD-JKSUJKDBSA-N 1 1 334.464 0.143 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)CCCC[NH+]2CCOCC2)nc1 ZINC000732057982 578318549 /nfs/dbraw/zinc/31/85/49/578318549.db2.gz RLUMGNVJSZUJRK-UHFFFAOYSA-N 1 1 331.420 0.984 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000732069020 578318717 /nfs/dbraw/zinc/31/87/17/578318717.db2.gz QUEXUQHTVIKPFB-HNNXBMFYSA-N 1 1 342.399 0.169 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000732069020 578318719 /nfs/dbraw/zinc/31/87/19/578318719.db2.gz QUEXUQHTVIKPFB-HNNXBMFYSA-N 1 1 342.399 0.169 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000734364771 578357265 /nfs/dbraw/zinc/35/72/65/578357265.db2.gz FFSMHYLPHQHKIN-GFCCVEGCSA-N 1 1 348.476 0.490 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000736664333 578444512 /nfs/dbraw/zinc/44/45/12/578444512.db2.gz HFCMCQBXSVXLBS-MRXNPFEDSA-N 1 1 332.448 0.642 20 30 ECEDMO CC(C)n1nccc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000794470425 578589523 /nfs/dbraw/zinc/58/95/23/578589523.db2.gz GHNKTYJVKLFWIS-UHFFFAOYSA-N 1 1 338.481 0.984 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780940181 578703273 /nfs/dbraw/zinc/70/32/73/578703273.db2.gz ONELVKZQVCQJIF-KRWDZBQOSA-N 1 1 344.415 0.260 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000783012147 578737457 /nfs/dbraw/zinc/73/74/57/578737457.db2.gz RJLJLVGPSDCCEN-CQSZACIVSA-N 1 1 331.482 0.961 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc(C#N)[nH]2)C1 ZINC000786090450 578780433 /nfs/dbraw/zinc/78/04/33/578780433.db2.gz FTMBGQUGQFSXBB-AWEZNQCLSA-N 1 1 348.403 0.516 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000787654839 578812605 /nfs/dbraw/zinc/81/26/05/578812605.db2.gz PUMUTEAWQHARJA-UHFFFAOYSA-N 1 1 329.198 0.723 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000788563445 578839941 /nfs/dbraw/zinc/83/99/41/578839941.db2.gz PSKSWPYWEBTBFL-WDEREUQCSA-N 1 1 330.226 0.754 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(=O)[nH]n1 ZINC000790147484 578868787 /nfs/dbraw/zinc/86/87/87/578868787.db2.gz GDEYYPLGDICNCX-UHFFFAOYSA-N 1 1 338.437 0.093 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)CCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC000765934056 579076210 /nfs/dbraw/zinc/07/62/10/579076210.db2.gz XOZWCVXIXSHENR-FGQLKYCASA-N 1 1 334.420 0.844 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN([C@@H]3CCC(=O)NC3=O)CC2)cc1 ZINC000765957348 579076798 /nfs/dbraw/zinc/07/67/98/579076798.db2.gz IWXNTEOBUWEGRK-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1ccc(CN2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2)cc1 ZINC000765957348 579076800 /nfs/dbraw/zinc/07/68/00/579076800.db2.gz IWXNTEOBUWEGRK-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1ccc(CN2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)cc1 ZINC000765957348 579076802 /nfs/dbraw/zinc/07/68/02/579076802.db2.gz IWXNTEOBUWEGRK-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)CC1 ZINC000773697345 579232240 /nfs/dbraw/zinc/23/22/40/579232240.db2.gz VMIJCBBUDZXOAA-ROUUACIJSA-N 1 1 333.476 0.902 20 30 ECEDMO C[C@H]([NH2+]CC(=O)NCCC#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000775337912 579265766 /nfs/dbraw/zinc/26/57/66/579265766.db2.gz KZPZCWFDBPAUTG-LBPRGKRZSA-N 1 1 338.433 0.617 20 30 ECEDMO C#C[C@H]([NH2+]Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)[C@@H]1CCCO1 ZINC000775788568 579271200 /nfs/dbraw/zinc/27/12/00/579271200.db2.gz HGLFDWVDZCKBLM-KBPBESRZSA-N 1 1 344.371 0.882 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N(CCC(N)=O)c1ccc(F)cc1)[C@H]1CCCO1 ZINC000775801833 579271760 /nfs/dbraw/zinc/27/17/60/579271760.db2.gz WQHITRGZZNNVOR-JKSUJKDBSA-N 1 1 347.390 0.805 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000776593483 579285507 /nfs/dbraw/zinc/28/55/07/579285507.db2.gz JYEZFQRFKQVJMS-UHFFFAOYSA-N 1 1 335.448 0.429 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C(=O)OCC)CC1 ZINC000776594568 579285603 /nfs/dbraw/zinc/28/56/03/579285603.db2.gz NFLVVLXKYVOHNJ-MRXNPFEDSA-N 1 1 335.448 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCC(=O)NCCCc1c[nH]nc1C ZINC000778275074 579307566 /nfs/dbraw/zinc/30/75/66/579307566.db2.gz HLKGSUCYSBJYEI-INIZCTEOSA-N 1 1 345.447 0.371 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC(=O)NCCCc1c[nH]nc1C ZINC000778275074 579307567 /nfs/dbraw/zinc/30/75/67/579307567.db2.gz HLKGSUCYSBJYEI-INIZCTEOSA-N 1 1 345.447 0.371 20 30 ECEDMO CC1(C)CC(=NNC(=S)NCC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000761259793 579525747 /nfs/dbraw/zinc/52/57/47/579525747.db2.gz XKERPVHKMZGAOR-UHFFFAOYSA-N 1 1 333.461 0.976 20 30 ECEDMO CC1(C)CC(=NNC(=S)NCC(N)=O)C[N@H+]1Cc1ccccc1 ZINC000761259793 579525748 /nfs/dbraw/zinc/52/57/48/579525748.db2.gz XKERPVHKMZGAOR-UHFFFAOYSA-N 1 1 333.461 0.976 20 30 ECEDMO C[C@H]1CC(N=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[N@H+]1C ZINC000761793577 579532030 /nfs/dbraw/zinc/53/20/30/579532030.db2.gz NYZPDDLJHSHRIA-QMMMGPOBSA-N 1 1 327.366 0.734 20 30 ECEDMO CC(C)[N@H+]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000746210777 579833004 /nfs/dbraw/zinc/83/30/04/579833004.db2.gz UESPBJMHFRYMEK-MSUUIHNZSA-N 1 1 334.420 0.846 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)OCC[C@H]2CCCC[N@@H+]2C)C1=O ZINC000837489023 588953398 /nfs/dbraw/zinc/95/33/98/588953398.db2.gz FGCSEPXREPOOPP-GFCCVEGCSA-N 1 1 337.376 0.381 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(S(=O)(=O)NCC)c1 ZINC000837735057 588959947 /nfs/dbraw/zinc/95/99/47/588959947.db2.gz AJXUQMXSIUPVMJ-INIZCTEOSA-N 1 1 349.456 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(S(=O)(=O)NCC)c1 ZINC000837735057 588959948 /nfs/dbraw/zinc/95/99/48/588959948.db2.gz AJXUQMXSIUPVMJ-INIZCTEOSA-N 1 1 349.456 0.699 20 30 ECEDMO C#CCO[C@H](C)C(=O)OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000837847717 588963058 /nfs/dbraw/zinc/96/30/58/588963058.db2.gz KGLNRNTZPKLLKO-CABCVRRESA-N 1 1 340.420 0.041 20 30 ECEDMO C#CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C(=O)OC ZINC000837937239 588965847 /nfs/dbraw/zinc/96/58/47/588965847.db2.gz CXYUPTUEKADTME-HZPDHXFCSA-N 1 1 329.400 0.975 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000841252290 588984721 /nfs/dbraw/zinc/98/47/21/588984721.db2.gz VHCJWKJXQCQNLX-QGZVFWFLSA-N 1 1 333.363 0.797 20 30 ECEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1C(=O)NCC(=O)OC ZINC000841892627 589004782 /nfs/dbraw/zinc/00/47/82/589004782.db2.gz OPPGJPYPNOERRF-OAHLLOKOSA-N 1 1 330.384 0.952 20 30 ECEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H]1C(=O)NCC(=O)OC ZINC000841892627 589004784 /nfs/dbraw/zinc/00/47/84/589004784.db2.gz OPPGJPYPNOERRF-OAHLLOKOSA-N 1 1 330.384 0.952 20 30 ECEDMO C#CC1(O)CN(C(=O)c2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC000890521836 586052057 /nfs/dbraw/zinc/05/20/57/586052057.db2.gz WAFFSAVYVPYDJB-UHFFFAOYSA-N 1 1 331.391 0.788 20 30 ECEDMO C#CC1(F)CN(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000891167008 586085250 /nfs/dbraw/zinc/08/52/50/586085250.db2.gz GYYNKDXHQXZYAI-UHFFFAOYSA-N 1 1 327.319 0.698 20 30 ECEDMO CN(C)CC[NH+]1CCC(NC(=O)NCc2nc(C#N)cs2)CC1 ZINC000891805170 586197376 /nfs/dbraw/zinc/19/73/76/586197376.db2.gz FDPZWILNQGVZOP-UHFFFAOYSA-N 1 1 336.465 0.840 20 30 ECEDMO N#Cc1csc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)n1 ZINC000897262059 586290791 /nfs/dbraw/zinc/29/07/91/586290791.db2.gz TWTXNMFIKKUXTR-STQMWFEESA-N 1 1 335.433 0.755 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000867310705 589041592 /nfs/dbraw/zinc/04/15/92/589041592.db2.gz AJOFFFFGCAWEII-OAQYLSRUSA-N 1 1 343.474 0.933 20 30 ECEDMO C[N@@H+](CCO)CCNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000899739197 586504584 /nfs/dbraw/zinc/50/45/84/586504584.db2.gz SQTIPQHPOOTMDA-AWEZNQCLSA-N 1 1 334.395 0.564 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000900080763 586522386 /nfs/dbraw/zinc/52/23/86/586522386.db2.gz UAKOEMPAYPCCBN-YOEHRIQHSA-N 1 1 329.404 0.057 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000900282505 586535475 /nfs/dbraw/zinc/53/54/75/586535475.db2.gz ZAMQCVSARUYUPZ-SFHVURJKSA-N 1 1 329.400 0.569 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000843250782 589056474 /nfs/dbraw/zinc/05/64/74/589056474.db2.gz RCRNTKAZJNXWOW-HZPDHXFCSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000843250782 589056475 /nfs/dbraw/zinc/05/64/75/589056475.db2.gz RCRNTKAZJNXWOW-HZPDHXFCSA-N 1 1 349.475 0.552 20 30 ECEDMO C[C@H]([NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)C(=O)N(C)CCC#N ZINC000901617108 586712692 /nfs/dbraw/zinc/71/26/92/586712692.db2.gz AADPFYKDZDROMM-RYUDHWBXSA-N 1 1 326.397 0.887 20 30 ECEDMO C#CC[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000888294134 586760854 /nfs/dbraw/zinc/76/08/54/586760854.db2.gz RCQRJPSELIYMHS-DLBZAZTESA-N 1 1 334.464 0.448 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)CC)CC1 ZINC000903005485 586765260 /nfs/dbraw/zinc/76/52/60/586765260.db2.gz XHBMFUFJSRBYHF-AWEZNQCLSA-N 1 1 343.493 0.979 20 30 ECEDMO C#C[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@H]1CCCO1 ZINC000775346968 586916951 /nfs/dbraw/zinc/91/69/51/586916951.db2.gz KQBOKAAPISLMHJ-GXTWGEPZSA-N 1 1 327.388 0.945 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccsc3C#N)CC2)CC1 ZINC000906605678 586959607 /nfs/dbraw/zinc/95/96/07/586959607.db2.gz JUHIUGHXVQQWHG-UHFFFAOYSA-N 1 1 347.444 0.745 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000801525479 586998269 /nfs/dbraw/zinc/99/82/69/586998269.db2.gz LBOKYBMLTYLOIB-HNNXBMFYSA-N 1 1 341.477 0.563 20 30 ECEDMO C=CCN1CCN(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O ZINC000839956230 587013727 /nfs/dbraw/zinc/01/37/27/587013727.db2.gz RIGWRDXTMDJACT-OAHLLOKOSA-N 1 1 336.436 0.438 20 30 ECEDMO N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000803180648 587055597 /nfs/dbraw/zinc/05/55/97/587055597.db2.gz MZSQEUHDWLGYAS-ZDUSSCGKSA-N 1 1 330.363 0.666 20 30 ECEDMO C#CCC[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000804429820 587084994 /nfs/dbraw/zinc/08/49/94/587084994.db2.gz IQJWMGJLZUUNCO-UHFFFAOYSA-N 1 1 343.387 0.931 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCCO1 ZINC000807364035 587125896 /nfs/dbraw/zinc/12/58/96/587125896.db2.gz YKIMTDCPACVXLT-GWONACJQSA-N 1 1 333.432 0.415 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCCO1 ZINC000809304996 587173501 /nfs/dbraw/zinc/17/35/01/587173501.db2.gz UUQDGCONXRJGOA-XUWVNRHRSA-N 1 1 335.448 0.663 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000809363755 587176318 /nfs/dbraw/zinc/17/63/18/587176318.db2.gz XNBPFARCMXSLER-VHSXEESVSA-N 1 1 330.226 0.753 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)CCCC#N)C1 ZINC000812616702 587240207 /nfs/dbraw/zinc/24/02/07/587240207.db2.gz MIGLJNDINPBBBK-CQSZACIVSA-N 1 1 325.409 0.696 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000814145065 587270918 /nfs/dbraw/zinc/27/09/18/587270918.db2.gz KLGGDKYNEWKULI-HOCLYGCPSA-N 1 1 347.440 0.374 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[C@H](OC)C2 ZINC000815860462 587300612 /nfs/dbraw/zinc/30/06/12/587300612.db2.gz MHUMTWKDVZLXID-QGZVFWFLSA-N 1 1 343.427 0.810 20 30 ECEDMO N#Cc1ccc([C@H](O)CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000819003257 587464138 /nfs/dbraw/zinc/46/41/38/587464138.db2.gz CNTGEUIPBONTPH-IAGOWNOFSA-N 1 1 330.432 0.769 20 30 ECEDMO N#Cc1ccc([C@H](O)CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000819003257 587464139 /nfs/dbraw/zinc/46/41/39/587464139.db2.gz CNTGEUIPBONTPH-IAGOWNOFSA-N 1 1 330.432 0.769 20 30 ECEDMO C#CC[N@@H+](CC#CC)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000819697465 587486325 /nfs/dbraw/zinc/48/63/25/587486325.db2.gz FWQWWXIXYLVIAF-OAHLLOKOSA-N 1 1 325.372 0.565 20 30 ECEDMO C#CC[N@H+](CC#CC)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000819697465 587486327 /nfs/dbraw/zinc/48/63/27/587486327.db2.gz FWQWWXIXYLVIAF-OAHLLOKOSA-N 1 1 325.372 0.565 20 30 ECEDMO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000824608798 587882208 /nfs/dbraw/zinc/88/22/08/587882208.db2.gz QZKKNSWADJVJAX-HNNXBMFYSA-N 1 1 343.832 0.991 20 30 ECEDMO N#CC1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC000827706823 588136489 /nfs/dbraw/zinc/13/64/89/588136489.db2.gz MAXGULKBBXJIBX-LSDHHAIUSA-N 1 1 348.447 0.556 20 30 ECEDMO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000828420054 588177592 /nfs/dbraw/zinc/17/75/92/588177592.db2.gz AXRAOAZAGCUQNV-CYBMUJFWSA-N 1 1 338.433 0.464 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)NCCO3)C1 ZINC000829583168 588331107 /nfs/dbraw/zinc/33/11/07/588331107.db2.gz XKXISVMEEXGFLG-CQSZACIVSA-N 1 1 327.384 0.636 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)NCCO3)C1 ZINC000829583168 588331108 /nfs/dbraw/zinc/33/11/08/588331108.db2.gz XKXISVMEEXGFLG-CQSZACIVSA-N 1 1 327.384 0.636 20 30 ECEDMO C#CC[C@@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000829794273 588342293 /nfs/dbraw/zinc/34/22/93/588342293.db2.gz UIUHKBRDHKFUOP-CYBMUJFWSA-N 1 1 329.404 0.169 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)CC1 ZINC000833376747 588537085 /nfs/dbraw/zinc/53/70/85/588537085.db2.gz AHXZQMRGQWKRJQ-CQSZACIVSA-N 1 1 338.452 0.827 20 30 ECEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000844372231 589109427 /nfs/dbraw/zinc/10/94/27/589109427.db2.gz XFDNXNVKVDOXCR-ZBFHGGJFSA-N 1 1 337.445 0.805 20 30 ECEDMO COCCOCC[NH+]1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000844468527 589111762 /nfs/dbraw/zinc/11/17/62/589111762.db2.gz VBTUEAHYMTYJOY-SFHVURJKSA-N 1 1 333.432 0.872 20 30 ECEDMO COCCOCCN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000844468527 589111763 /nfs/dbraw/zinc/11/17/63/589111763.db2.gz VBTUEAHYMTYJOY-SFHVURJKSA-N 1 1 333.432 0.872 20 30 ECEDMO C=CCN(C(=O)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)C(C)C ZINC000867363855 589115294 /nfs/dbraw/zinc/11/52/94/589115294.db2.gz ARWBROYAJBGLGR-UHFFFAOYSA-N 1 1 337.464 0.980 20 30 ECEDMO C[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847405777 589245869 /nfs/dbraw/zinc/24/58/69/589245869.db2.gz BWVQGEHTOXUJKC-MPTYRVRUSA-N 1 1 349.479 0.866 20 30 ECEDMO C[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847405777 589245870 /nfs/dbraw/zinc/24/58/70/589245870.db2.gz BWVQGEHTOXUJKC-MPTYRVRUSA-N 1 1 349.479 0.866 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1 ZINC000848679256 589306365 /nfs/dbraw/zinc/30/63/65/589306365.db2.gz SQBCACWDFRRWKY-CQSZACIVSA-N 1 1 349.412 0.905 20 30 ECEDMO C[NH+]=C(NCCN1CCOCC1)NCc1nc2ccc(C)cc2[nH]1 ZINC000849096705 589320135 /nfs/dbraw/zinc/32/01/35/589320135.db2.gz LHRDTSDQNNMBRT-UHFFFAOYSA-N 1 1 330.436 0.869 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000850359429 589364929 /nfs/dbraw/zinc/36/49/29/589364929.db2.gz HSSMIQXMQLRPMK-JKSUJKDBSA-N 1 1 337.445 0.938 20 30 ECEDMO C[N@@H+](Cc1coc(S(N)(=O)=O)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210268 589451131 /nfs/dbraw/zinc/45/11/31/589451131.db2.gz AKKPRWCJIYUGHJ-CQSZACIVSA-N 1 1 335.385 0.964 20 30 ECEDMO C[N@H+](Cc1coc(S(N)(=O)=O)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210268 589451133 /nfs/dbraw/zinc/45/11/33/589451133.db2.gz AKKPRWCJIYUGHJ-CQSZACIVSA-N 1 1 335.385 0.964 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000852357810 589492224 /nfs/dbraw/zinc/49/22/24/589492224.db2.gz HZDURKWIKLOCOB-OAHLLOKOSA-N 1 1 328.416 0.828 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000852358112 589492337 /nfs/dbraw/zinc/49/23/37/589492337.db2.gz MWCLYAWXQMUZMP-BZUAXINKSA-N 1 1 325.453 0.807 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000852429602 589495490 /nfs/dbraw/zinc/49/54/90/589495490.db2.gz RJIWPNXXVQYSAI-OAHLLOKOSA-N 1 1 337.464 0.816 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@H](O)c3ccc(C#N)cc3)C[C@H]21 ZINC000852592739 589502715 /nfs/dbraw/zinc/50/27/15/589502715.db2.gz BCEYFHHAIIEDPZ-JONQDZQNSA-N 1 1 336.413 0.335 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C[C@H]21 ZINC000852592739 589502717 /nfs/dbraw/zinc/50/27/17/589502717.db2.gz BCEYFHHAIIEDPZ-JONQDZQNSA-N 1 1 336.413 0.335 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000852713952 589507259 /nfs/dbraw/zinc/50/72/59/589507259.db2.gz SDDULJKYMPMRMY-CJNGLKHVSA-N 1 1 345.399 0.994 20 30 ECEDMO CC(C)n1ccnc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000853268186 589539233 /nfs/dbraw/zinc/53/92/33/589539233.db2.gz SIDBJYHLEFPQGH-UHFFFAOYSA-N 1 1 338.481 0.984 20 30 ECEDMO C#C[C@H](CO)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000854773160 589605234 /nfs/dbraw/zinc/60/52/34/589605234.db2.gz FSKCRKHZLPIQID-GFCCVEGCSA-N 1 1 325.409 0.086 20 30 ECEDMO CCc1noc(C[C@@]2(O)CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000856669782 589669505 /nfs/dbraw/zinc/66/95/05/589669505.db2.gz BZQJQPLHSGUORZ-DYVFJYSZSA-N 1 1 349.435 0.762 20 30 ECEDMO CCc1noc(C[C@@]2(O)CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000856669782 589669506 /nfs/dbraw/zinc/66/95/06/589669506.db2.gz BZQJQPLHSGUORZ-DYVFJYSZSA-N 1 1 349.435 0.762 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000858238634 589734340 /nfs/dbraw/zinc/73/43/40/589734340.db2.gz KVWUWSSSPASKCF-HZPDHXFCSA-N 1 1 336.480 0.883 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000858238634 589734344 /nfs/dbraw/zinc/73/43/44/589734344.db2.gz KVWUWSSSPASKCF-HZPDHXFCSA-N 1 1 336.480 0.883 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000866716376 589762948 /nfs/dbraw/zinc/76/29/48/589762948.db2.gz NAWRDOMSJZQKCS-WMLDXEAASA-N 1 1 334.420 0.072 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000867486897 589792408 /nfs/dbraw/zinc/79/24/08/589792408.db2.gz YBOKOURDEIWHDH-QWHCGFSZSA-N 1 1 325.365 0.137 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000867486897 589792411 /nfs/dbraw/zinc/79/24/11/589792411.db2.gz YBOKOURDEIWHDH-QWHCGFSZSA-N 1 1 325.365 0.137 20 30 ECEDMO CN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000867942316 589864633 /nfs/dbraw/zinc/86/46/33/589864633.db2.gz PGRNTIOUSIYDAL-UKRRQHHQSA-N 1 1 333.413 0.391 20 30 ECEDMO CNC(=O)C1(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCCC1 ZINC000867955653 589865307 /nfs/dbraw/zinc/86/53/07/589865307.db2.gz FDDBQZNAJQONMX-OAHLLOKOSA-N 1 1 326.400 0.920 20 30 ECEDMO C=C(Cl)C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C(=O)OCC ZINC000870031423 589990577 /nfs/dbraw/zinc/99/05/77/589990577.db2.gz QJMGMNUVQNAXJV-CHWSQXEVSA-N 1 1 331.844 0.813 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000863786965 590038385 /nfs/dbraw/zinc/03/83/85/590038385.db2.gz LDSDHDQZLMHORZ-ZACQAIPSSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[C@H](COC)NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000863799613 590039326 /nfs/dbraw/zinc/03/93/26/590039326.db2.gz MUCSTVNTMXYHSP-BZUAXINKSA-N 1 1 335.448 0.474 20 30 ECEDMO COc1ccc(OC)c2c1NC(=O)C2=NNCCC[NH+]1CCOCC1 ZINC000872371797 590115713 /nfs/dbraw/zinc/11/57/13/590115713.db2.gz SAFAGQCJQWKFRA-UHFFFAOYSA-N 1 1 348.403 0.672 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000865084540 590123868 /nfs/dbraw/zinc/12/38/68/590123868.db2.gz CMDYZQQTKCPUBX-CQSZACIVSA-N 1 1 339.436 0.430 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@]2(C)Oc3ccccc3NC2=O)CC1 ZINC000865084642 590124075 /nfs/dbraw/zinc/12/40/75/590124075.db2.gz DMEUNYBRDBDZNJ-SFHVURJKSA-N 1 1 327.384 0.944 20 30 ECEDMO C=C(Cl)C[C@H]1NC(=O)N(C[C@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000865299845 590138103 /nfs/dbraw/zinc/13/81/03/590138103.db2.gz RJVOJFJOYIRMEM-DGCLKSJQSA-N 1 1 328.844 0.933 20 30 ECEDMO CN(C)c1ccc(C#N)cc1C[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000865645316 590152799 /nfs/dbraw/zinc/15/27/99/590152799.db2.gz XUQKQVGMDPZAQY-UHFFFAOYSA-N 1 1 337.449 0.204 20 30 ECEDMO COc1ccc(NC(=O)C(=O)NCC2=CC[N@@H+](C)CC2)cc1C#N ZINC000873793506 590202179 /nfs/dbraw/zinc/20/21/79/590202179.db2.gz YXSNMEUXMXIOMQ-UHFFFAOYSA-N 1 1 328.372 0.883 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000875058835 590266444 /nfs/dbraw/zinc/26/64/44/590266444.db2.gz XYHUOBIXABLIKI-QGZVFWFLSA-N 1 1 343.427 0.315 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000875058835 590266445 /nfs/dbraw/zinc/26/64/45/590266445.db2.gz XYHUOBIXABLIKI-QGZVFWFLSA-N 1 1 343.427 0.315 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)C[C@H]2C1=O ZINC000879531218 590318458 /nfs/dbraw/zinc/31/84/58/590318458.db2.gz ADPYIMXPTOHYKX-PHIMTYICSA-N 1 1 332.385 0.495 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000875915561 590345959 /nfs/dbraw/zinc/34/59/59/590345959.db2.gz ZISXSFJMUSGGDS-KGLIPLIRSA-N 1 1 325.409 0.161 20 30 ECEDMO COCC[NH+]1CCC(NC(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876734698 590405425 /nfs/dbraw/zinc/40/54/25/590405425.db2.gz IUKFQTFYYMAEPB-SFHVURJKSA-N 1 1 342.443 0.972 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000876744432 590408147 /nfs/dbraw/zinc/40/81/47/590408147.db2.gz SPNZCNSGINFKRX-BQFCYCMXSA-N 1 1 340.427 0.724 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000876744432 590408149 /nfs/dbraw/zinc/40/81/49/590408149.db2.gz SPNZCNSGINFKRX-BQFCYCMXSA-N 1 1 340.427 0.724 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCS(=O)(=O)C1 ZINC000876911117 590426084 /nfs/dbraw/zinc/42/60/84/590426084.db2.gz VIPXGPYEXRJJLM-MLGOLLRUSA-N 1 1 347.440 0.638 20 30 ECEDMO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000877145999 590440767 /nfs/dbraw/zinc/44/07/67/590440767.db2.gz OMJCLEOOTHGSJT-OLZOCXBDSA-N 1 1 328.844 0.268 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878314955 590515023 /nfs/dbraw/zinc/51/50/23/590515023.db2.gz BGNKAWRMRFXBHW-AWEZNQCLSA-N 1 1 329.466 0.419 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879085025 590563658 /nfs/dbraw/zinc/56/36/58/590563658.db2.gz ZUVAPSYDBKXVEP-STQMWFEESA-N 1 1 329.441 0.837 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879085025 590563659 /nfs/dbraw/zinc/56/36/59/590563659.db2.gz ZUVAPSYDBKXVEP-STQMWFEESA-N 1 1 329.441 0.837 20 30 ECEDMO C=C(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000882893823 590595835 /nfs/dbraw/zinc/59/58/35/590595835.db2.gz CUXSPYVLPXPQTH-ARFHVFGLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(C)C[C@@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000883283209 590610953 /nfs/dbraw/zinc/61/09/53/590610953.db2.gz VCVZXTZFULUOKW-LSDHHAIUSA-N 1 1 340.468 0.555 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC000885308472 590712378 /nfs/dbraw/zinc/71/23/78/590712378.db2.gz YDYQKXVKKFIGEW-FMKPAKJESA-N 1 1 339.461 0.505 20 30 ECEDMO C[C@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000885318131 590716142 /nfs/dbraw/zinc/71/61/42/590716142.db2.gz HTELHKNDELNROP-PAURTPPISA-N 1 1 339.461 0.644 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000884201350 590771320 /nfs/dbraw/zinc/77/13/20/590771320.db2.gz WDDWQYWGGRTIGN-BARDWOONSA-N 1 1 325.453 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](CC)C(=O)N2CCOCC2)C1 ZINC000884208873 590775811 /nfs/dbraw/zinc/77/58/11/590775811.db2.gz MGLOZDKRKWULHD-GJZGRUSLSA-N 1 1 336.436 0.021 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CC)C(=O)N2CCOCC2)C1 ZINC000884208873 590775813 /nfs/dbraw/zinc/77/58/13/590775813.db2.gz MGLOZDKRKWULHD-GJZGRUSLSA-N 1 1 336.436 0.021 20 30 ECEDMO N#CC1(C[C@H](O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CCC1 ZINC000886081147 590792441 /nfs/dbraw/zinc/79/24/41/590792441.db2.gz JJPNHCADJORAQE-HOTGVXAUSA-N 1 1 334.464 0.845 20 30 ECEDMO N#CC1(C[C@H](O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CCC1 ZINC000886081147 590792443 /nfs/dbraw/zinc/79/24/43/590792443.db2.gz JJPNHCADJORAQE-HOTGVXAUSA-N 1 1 334.464 0.845 20 30 ECEDMO C[C@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[NH+]1CCCCCC1 ZINC000886205810 590813010 /nfs/dbraw/zinc/81/30/10/590813010.db2.gz ZNNYHKOZJJSABY-IIAWOOMASA-N 1 1 339.461 0.648 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 ZINC000886362608 590835169 /nfs/dbraw/zinc/83/51/69/590835169.db2.gz FQINTAIVGUNWGH-ZDUSSCGKSA-N 1 1 335.429 0.926 20 30 ECEDMO C#CCN(C(=O)CN(C)c1ncnc2[nH]cnc21)C1CC[NH+](C)CC1 ZINC000886583203 590861872 /nfs/dbraw/zinc/86/18/72/590861872.db2.gz GKOUCGBELBFADZ-UHFFFAOYSA-N 1 1 341.419 0.345 20 30 ECEDMO C#CC[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000888056775 591032927 /nfs/dbraw/zinc/03/29/27/591032927.db2.gz RVSSTVGKXYBPSG-JKSUJKDBSA-N 1 1 334.464 0.984 20 30 ECEDMO C#CCC1(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCOCC1 ZINC000889434894 591054704 /nfs/dbraw/zinc/05/47/04/591054704.db2.gz XKWKRZQQGUOICI-AWEZNQCLSA-N 1 1 336.436 0.198 20 30 ECEDMO N#Cc1ccccc1OCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889781510 591095387 /nfs/dbraw/zinc/09/53/87/591095387.db2.gz OVXCIYZPCFVQOF-HZPDHXFCSA-N 1 1 329.400 0.995 20 30 ECEDMO CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000889830892 591103635 /nfs/dbraw/zinc/10/36/35/591103635.db2.gz GPMGLWQYMNAYFJ-UHFFFAOYSA-N 1 1 329.404 0.886 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(CC#N)n2)C[N@H+]1C1CC1 ZINC000890002038 591117755 /nfs/dbraw/zinc/11/77/55/591117755.db2.gz AQIKIVJXKKCYFU-DGCLKSJQSA-N 1 1 327.388 0.828 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)CC[C@@H]2C1 ZINC000946580600 611352912 /nfs/dbraw/zinc/35/29/12/611352912.db2.gz FBKWTPLSKMCUPF-IYBDPMFKSA-N 1 1 345.447 0.732 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C[C@@H]1C ZINC000947991062 611371797 /nfs/dbraw/zinc/37/17/97/611371797.db2.gz WMBLCWPIXIUCOY-GXTWGEPZSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C[C@@H]1C ZINC000947991063 611371899 /nfs/dbraw/zinc/37/18/99/611371899.db2.gz WMBLCWPIXIUCOY-JSGCOSHPSA-N 1 1 326.404 0.957 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2OC)C1 ZINC000946635161 611379021 /nfs/dbraw/zinc/37/90/21/611379021.db2.gz FBPYJGGRNFHPAJ-RBSFLKMASA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCN(C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000924024969 611382791 /nfs/dbraw/zinc/38/27/91/611382791.db2.gz IMUIPNILELQCEN-KRWDZBQOSA-N 1 1 336.480 0.836 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)CC[C@@H]2C1 ZINC000946649020 611387500 /nfs/dbraw/zinc/38/75/00/611387500.db2.gz IVFIOFGIMVWDLW-CALCHBBNSA-N 1 1 348.491 0.507 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)CC[C@@H]2C1 ZINC000946651770 611390009 /nfs/dbraw/zinc/39/00/09/611390009.db2.gz FJZAJMAHASBKAJ-QLFBSQMISA-N 1 1 343.431 0.350 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nc(C)nn4C3)CC[C@@H]2C1 ZINC000946693596 611419282 /nfs/dbraw/zinc/41/92/82/611419282.db2.gz AZMHMMARFRHPGW-BBWFWOEESA-N 1 1 341.459 0.953 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)C3(O)CCOCC3)C2)nc1 ZINC000930540864 611441814 /nfs/dbraw/zinc/44/18/14/611441814.db2.gz JRXXARQKKSEUAO-GJZGRUSLSA-N 1 1 333.388 0.309 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC000925321450 611468915 /nfs/dbraw/zinc/46/89/15/611468915.db2.gz RBKYZCPYBFIHRD-ZFWWWQNUSA-N 1 1 328.420 0.877 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)cc1 ZINC000930824866 611469535 /nfs/dbraw/zinc/46/95/35/611469535.db2.gz GSJSIUTYILQDDM-GDBMZVCRSA-N 1 1 330.384 0.852 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)CC2)c1C#N ZINC000925335427 611470772 /nfs/dbraw/zinc/47/07/72/611470772.db2.gz VACNBZKCFIDMJW-DZGCQCFKSA-N 1 1 345.451 0.524 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946803675 611492301 /nfs/dbraw/zinc/49/23/01/611492301.db2.gz QVZJFLLEURKHBY-XHSDSOJGSA-N 1 1 338.473 0.615 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000946807032 611496008 /nfs/dbraw/zinc/49/60/08/611496008.db2.gz MRMQGMULEDLSJT-UHFFFAOYSA-N 1 1 340.387 0.812 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C ZINC000947370672 611502106 /nfs/dbraw/zinc/50/21/06/611502106.db2.gz VFDYJUFSZBZVNI-GJZGRUSLSA-N 1 1 348.447 0.482 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000948306948 611512397 /nfs/dbraw/zinc/51/23/97/611512397.db2.gz SKXCMQXTRHVXQV-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cn(CCOC)nn2)CC1 ZINC000948358099 611545581 /nfs/dbraw/zinc/54/55/81/611545581.db2.gz VLEZVVRTGYBLMO-OAHLLOKOSA-N 1 1 333.436 0.874 20 30 ECEDMO COC1(OC)CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1O ZINC000931633946 611558239 /nfs/dbraw/zinc/55/82/39/611558239.db2.gz LYGYLTQVTNDAQY-HNNXBMFYSA-N 1 1 333.388 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C ZINC000947489208 611560925 /nfs/dbraw/zinc/56/09/25/611560925.db2.gz AUOKFJLBWCPGBE-BMFZPTHFSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C ZINC000947489208 611560928 /nfs/dbraw/zinc/56/09/28/611560928.db2.gz AUOKFJLBWCPGBE-BMFZPTHFSA-N 1 1 328.416 0.689 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1C ZINC000947510358 611574133 /nfs/dbraw/zinc/57/41/33/611574133.db2.gz KCOWKFPMTGGNLV-UONOGXRCSA-N 1 1 334.420 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000947024249 611588213 /nfs/dbraw/zinc/58/82/13/611588213.db2.gz XBTPMRPSWZIVMK-INIZCTEOSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000947024249 611588214 /nfs/dbraw/zinc/58/82/14/611588214.db2.gz XBTPMRPSWZIVMK-INIZCTEOSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@H]1C ZINC000947558591 611594693 /nfs/dbraw/zinc/59/46/93/611594693.db2.gz CMIPWRPKZMSITI-KGLIPLIRSA-N 1 1 341.415 0.937 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCO[C@H](C)CC3)CC2)o1 ZINC000932342361 611617520 /nfs/dbraw/zinc/61/75/20/611617520.db2.gz NDFIOUAXOPVGJI-CYBMUJFWSA-N 1 1 347.419 0.614 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCO[C@H](C)CC3)CC2)o1 ZINC000932342361 611617521 /nfs/dbraw/zinc/61/75/21/611617521.db2.gz NDFIOUAXOPVGJI-CYBMUJFWSA-N 1 1 347.419 0.614 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC000947611127 611618176 /nfs/dbraw/zinc/61/81/76/611618176.db2.gz HFRMAJFDKXKLEG-OLZOCXBDSA-N 1 1 328.844 0.140 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC000947611127 611618179 /nfs/dbraw/zinc/61/81/79/611618179.db2.gz HFRMAJFDKXKLEG-OLZOCXBDSA-N 1 1 328.844 0.140 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC#Cc1ccccc1 ZINC000947032310 611620280 /nfs/dbraw/zinc/62/02/80/611620280.db2.gz MSTOEBOEAGQYPN-NVXWUHKLSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000947629838 611626015 /nfs/dbraw/zinc/62/60/15/611626015.db2.gz QJLNVEHMUVKIPF-WFASDCNBSA-N 1 1 339.403 0.865 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C ZINC000947369850 608601155 /nfs/dbraw/zinc/60/11/55/608601155.db2.gz QAONJTGXKDEALI-ZIAGYGMSSA-N 1 1 334.420 0.092 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937350889 608612404 /nfs/dbraw/zinc/61/24/04/608612404.db2.gz BWHDIFVXGAOTOI-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CCN1CCCC1=O)CCO2 ZINC000949319814 608633024 /nfs/dbraw/zinc/63/30/24/608633024.db2.gz CHXFNEQNBZXINZ-OAHLLOKOSA-N 1 1 348.447 0.462 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CCN1CCCC1=O)CCO2 ZINC000949319814 608633029 /nfs/dbraw/zinc/63/30/29/608633029.db2.gz CHXFNEQNBZXINZ-OAHLLOKOSA-N 1 1 348.447 0.462 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nc1 ZINC000936909360 608653487 /nfs/dbraw/zinc/65/34/87/608653487.db2.gz FKMARSIHDKKAIR-NVXWUHKLSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C)c1 ZINC000947675620 611646157 /nfs/dbraw/zinc/64/61/57/611646157.db2.gz JUBCFQODSTWRSH-SWLSCSKDSA-N 1 1 342.399 0.061 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C)c1 ZINC000947675620 611646158 /nfs/dbraw/zinc/64/61/58/611646158.db2.gz JUBCFQODSTWRSH-SWLSCSKDSA-N 1 1 342.399 0.061 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)Cn3nccn3)CC2)C1 ZINC000949379068 608659823 /nfs/dbraw/zinc/65/98/23/608659823.db2.gz MEOMHZCJWXKKRM-UHFFFAOYSA-N 1 1 333.436 0.938 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC(=O)NC[C@@H]2c2ccccc2)C1 ZINC000924034779 608666706 /nfs/dbraw/zinc/66/67/06/608666706.db2.gz FPFDCGMKENNNAE-IAGOWNOFSA-N 1 1 340.427 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC(=O)NC[C@@H]2c2ccccc2)C1 ZINC000924034779 608666709 /nfs/dbraw/zinc/66/67/09/608666709.db2.gz FPFDCGMKENNNAE-IAGOWNOFSA-N 1 1 340.427 0.967 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)CCN3C(=O)CCC3=O)CC2)C1 ZINC000949408568 608671191 /nfs/dbraw/zinc/67/11/91/608671191.db2.gz AOAAQTZPOXXIEK-UHFFFAOYSA-N 1 1 349.431 0.405 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)CCN3C(=O)CCC3=O)CC2)C1 ZINC000949408568 608671192 /nfs/dbraw/zinc/67/11/92/608671192.db2.gz AOAAQTZPOXXIEK-UHFFFAOYSA-N 1 1 349.431 0.405 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC000949470638 608694010 /nfs/dbraw/zinc/69/40/10/608694010.db2.gz GIWLTKLVYQFOOJ-UHFFFAOYSA-N 1 1 343.427 0.716 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC000949470638 608694014 /nfs/dbraw/zinc/69/40/14/608694014.db2.gz GIWLTKLVYQFOOJ-UHFFFAOYSA-N 1 1 343.427 0.716 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC000949506578 608719374 /nfs/dbraw/zinc/71/93/74/608719374.db2.gz LRFNSCHIQLENRN-UHFFFAOYSA-N 1 1 344.415 0.816 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000947460354 608755858 /nfs/dbraw/zinc/75/58/58/608755858.db2.gz SRXYGNXNEZFDBG-WCQYABFASA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C ZINC000947796408 608779115 /nfs/dbraw/zinc/77/91/15/608779115.db2.gz LTCBWZYSYMWMPK-HUUCEWRRSA-N 1 1 346.435 0.171 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)[C@@H](C)C2)c1 ZINC000947710442 611662300 /nfs/dbraw/zinc/66/23/00/611662300.db2.gz MTTVZTVJMQYJBD-XJKSGUPXSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)[C@@H](C)C2)c1 ZINC000947710442 611662302 /nfs/dbraw/zinc/66/23/02/611662302.db2.gz MTTVZTVJMQYJBD-XJKSGUPXSA-N 1 1 338.415 0.974 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C ZINC000947524271 608858773 /nfs/dbraw/zinc/85/87/73/608858773.db2.gz QYQLJWPEWFVDSS-ZIAGYGMSSA-N 1 1 334.420 0.658 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000936914538 608914771 /nfs/dbraw/zinc/91/47/71/608914771.db2.gz WMVOIITZRWGHIF-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947218167 608969765 /nfs/dbraw/zinc/96/97/65/608969765.db2.gz XLKIIYDITVDDPX-YPMHNXCESA-N 1 1 329.404 0.748 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C[C@H]1C ZINC000947761087 611679935 /nfs/dbraw/zinc/67/99/35/611679935.db2.gz FMXBVYOSKSCXOV-CHWSQXEVSA-N 1 1 330.392 0.046 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937795639 609089014 /nfs/dbraw/zinc/08/90/14/609089014.db2.gz DMAMIHIRMNTFRS-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000937796426 609089609 /nfs/dbraw/zinc/08/96/09/609089609.db2.gz VVVOWBMEPIZMJI-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC000937811319 609096070 /nfs/dbraw/zinc/09/60/70/609096070.db2.gz MCTGZYVSUODZIL-HOCLYGCPSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC000937811319 609096073 /nfs/dbraw/zinc/09/60/73/609096073.db2.gz MCTGZYVSUODZIL-HOCLYGCPSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC000937811319 609096077 /nfs/dbraw/zinc/09/60/77/609096077.db2.gz MCTGZYVSUODZIL-HOCLYGCPSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC000937811319 609096080 /nfs/dbraw/zinc/09/60/80/609096080.db2.gz MCTGZYVSUODZIL-HOCLYGCPSA-N 1 1 343.431 0.075 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC#Cc1ccccc1 ZINC000947310372 609123172 /nfs/dbraw/zinc/12/31/72/609123172.db2.gz PXVQKQRFELCHQW-NVXWUHKLSA-N 1 1 338.415 0.694 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C ZINC000947796550 611695018 /nfs/dbraw/zinc/69/50/18/611695018.db2.gz OKRUNQAZVLECJS-CABCVRRESA-N 1 1 346.435 0.171 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)CN3CCCC3)C2)CC1 ZINC000937983354 609437475 /nfs/dbraw/zinc/43/74/75/609437475.db2.gz YMUHPSHSHOXSAL-KRWDZBQOSA-N 1 1 346.475 0.145 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937984021 609438185 /nfs/dbraw/zinc/43/81/85/609438185.db2.gz FBWISZKPXNRUKL-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937986138 609441006 /nfs/dbraw/zinc/44/10/06/609441006.db2.gz WNBDQPRTXCVZBF-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccc(C)o2)C1 ZINC000938170014 609481114 /nfs/dbraw/zinc/48/11/14/609481114.db2.gz ANZWWIJMNOSAQE-RDJZCZTQSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccc(C)o2)C1 ZINC000938170014 609481117 /nfs/dbraw/zinc/48/11/17/609481117.db2.gz ANZWWIJMNOSAQE-RDJZCZTQSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2snnc2C)C1 ZINC000938172343 609485049 /nfs/dbraw/zinc/48/50/49/609485049.db2.gz VLXRVSOCQZCUKS-STQMWFEESA-N 1 1 347.444 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2snnc2C)C1 ZINC000938172343 609485051 /nfs/dbraw/zinc/48/50/51/609485051.db2.gz VLXRVSOCQZCUKS-STQMWFEESA-N 1 1 347.444 0.275 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnn(C)c2C)C1 ZINC000938172339 609485251 /nfs/dbraw/zinc/48/52/51/609485251.db2.gz VGADCRKSAKUHBR-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnn(C)c2C)C1 ZINC000938172339 609485255 /nfs/dbraw/zinc/48/52/55/609485255.db2.gz VGADCRKSAKUHBR-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C ZINC000947810710 611701242 /nfs/dbraw/zinc/70/12/42/611701242.db2.gz OORGMZNCTPMUMO-KGLIPLIRSA-N 1 1 341.415 0.937 20 30 ECEDMO CN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC[N@H+](C)CC1 ZINC000907786614 609621934 /nfs/dbraw/zinc/62/19/34/609621934.db2.gz QYDUMRJOPJPCED-UHFFFAOYSA-N 1 1 336.461 0.567 20 30 ECEDMO CN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC[N@@H+](C)CC1 ZINC000907786614 609621935 /nfs/dbraw/zinc/62/19/35/609621935.db2.gz QYDUMRJOPJPCED-UHFFFAOYSA-N 1 1 336.461 0.567 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000908013370 609636930 /nfs/dbraw/zinc/63/69/30/609636930.db2.gz BHLLHPMDEKHRRW-QLFBSQMISA-N 1 1 344.481 0.244 20 30 ECEDMO C=CCn1c(-c2cnsn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000908713540 609658892 /nfs/dbraw/zinc/65/88/92/609658892.db2.gz YWVCMKNYPRVOQW-LLVKDONJSA-N 1 1 333.421 0.503 20 30 ECEDMO C=CCn1c(-c2cnsn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000908713540 609658894 /nfs/dbraw/zinc/65/88/94/609658894.db2.gz YWVCMKNYPRVOQW-LLVKDONJSA-N 1 1 333.421 0.503 20 30 ECEDMO C=CCn1c(-c2ncon2)nnc1N1CC[NH+](CCOCC)CC1 ZINC000908730022 609659295 /nfs/dbraw/zinc/65/92/95/609659295.db2.gz WKIKBOUNFPVTHX-UHFFFAOYSA-N 1 1 333.396 0.673 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000919975579 609666961 /nfs/dbraw/zinc/66/69/61/609666961.db2.gz XEHUVYJVVMEUSW-ABAIWWIYSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919975579 609666962 /nfs/dbraw/zinc/66/69/62/609666962.db2.gz XEHUVYJVVMEUSW-ABAIWWIYSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC[N@H+]1C ZINC000925333338 609693576 /nfs/dbraw/zinc/69/35/76/609693576.db2.gz VMZCYIAPRCXIEL-UKRRQHHQSA-N 1 1 328.420 0.877 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC000947324820 609707693 /nfs/dbraw/zinc/70/76/93/609707693.db2.gz VVWXZXZWDRHOIA-QWHCGFSZSA-N 1 1 334.424 0.312 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000921437025 609716612 /nfs/dbraw/zinc/71/66/12/609716612.db2.gz KGUNECZMFNHQIE-HIFRSBDPSA-N 1 1 330.450 0.055 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)CC1 ZINC000921440177 609716995 /nfs/dbraw/zinc/71/69/95/609716995.db2.gz TYSNCLDLGFXXTO-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000938373871 609759821 /nfs/dbraw/zinc/75/98/21/609759821.db2.gz SIUNTCWCAJPXST-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000923595099 609778643 /nfs/dbraw/zinc/77/86/43/609778643.db2.gz PCICKAXYAQRPCN-SOUVJXGZSA-N 1 1 331.416 0.375 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000923595099 609778645 /nfs/dbraw/zinc/77/86/45/609778645.db2.gz PCICKAXYAQRPCN-SOUVJXGZSA-N 1 1 331.416 0.375 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000938547208 609862123 /nfs/dbraw/zinc/86/21/23/609862123.db2.gz FUNOMDDVUKBDBD-XHSDSOJGSA-N 1 1 346.431 0.842 20 30 ECEDMO C=C(C)CNC(=S)NC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000916017528 609929145 /nfs/dbraw/zinc/92/91/45/609929145.db2.gz DGSNJKZGDOPHPZ-HNNXBMFYSA-N 1 1 326.510 0.681 20 30 ECEDMO C#CC[NH2+]CC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000912312222 609946533 /nfs/dbraw/zinc/94/65/33/609946533.db2.gz OJIPXJSFUBIBOF-UHFFFAOYSA-N 1 1 335.791 0.974 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000938703287 609951676 /nfs/dbraw/zinc/95/16/76/609951676.db2.gz WRCDPBCTMQUNDA-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCCC1 ZINC000917055680 609959593 /nfs/dbraw/zinc/95/95/93/609959593.db2.gz LBUYZONXMVVQMZ-AWEZNQCLSA-N 1 1 326.466 0.380 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CCCC1 ZINC000917055680 609959595 /nfs/dbraw/zinc/95/95/95/609959595.db2.gz LBUYZONXMVVQMZ-AWEZNQCLSA-N 1 1 326.466 0.380 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCCC1 ZINC000917055684 609959666 /nfs/dbraw/zinc/95/96/66/609959666.db2.gz LBUYZONXMVVQMZ-CQSZACIVSA-N 1 1 326.466 0.380 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CCCC1 ZINC000917055684 609959668 /nfs/dbraw/zinc/95/96/68/609959668.db2.gz LBUYZONXMVVQMZ-CQSZACIVSA-N 1 1 326.466 0.380 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2n[nH]cc2C(=O)OC)CC1 ZINC000912545625 609964215 /nfs/dbraw/zinc/96/42/15/609964215.db2.gz XSWMFBDPIXSEKE-UHFFFAOYSA-N 1 1 328.394 0.125 20 30 ECEDMO CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000912604310 609975503 /nfs/dbraw/zinc/97/55/03/609975503.db2.gz YOYOJWQCHAQQLO-HNNXBMFYSA-N 1 1 348.422 0.906 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ncccn2)C1 ZINC000938756241 609982097 /nfs/dbraw/zinc/98/20/97/609982097.db2.gz LAUDZLAHAUGOSA-CABCVRRESA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ncccn2)C1 ZINC000938756241 609982099 /nfs/dbraw/zinc/98/20/99/609982099.db2.gz LAUDZLAHAUGOSA-CABCVRRESA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC000938756290 609982117 /nfs/dbraw/zinc/98/21/17/609982117.db2.gz MBCNHWWODAPXJC-HOTGVXAUSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC000938756290 609982119 /nfs/dbraw/zinc/98/21/19/609982119.db2.gz MBCNHWWODAPXJC-HOTGVXAUSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC000939124872 610089950 /nfs/dbraw/zinc/08/99/50/610089950.db2.gz JSLCAKOHRTZPDJ-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC000939124872 610089952 /nfs/dbraw/zinc/08/99/52/610089952.db2.gz JSLCAKOHRTZPDJ-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000939761536 610119954 /nfs/dbraw/zinc/11/99/54/610119954.db2.gz BRXPMDKITWYODR-XHSDSOJGSA-N 1 1 346.431 0.842 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NCc3ccn(C)n3)C2)CC1 ZINC000939809145 610136455 /nfs/dbraw/zinc/13/64/55/610136455.db2.gz HVEHNLLBUNOSRQ-QAPCUYQASA-N 1 1 343.475 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC000939966351 610178808 /nfs/dbraw/zinc/17/88/08/610178808.db2.gz RQBCURSSCFBKJK-ZACQAIPSSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC000939966351 610178809 /nfs/dbraw/zinc/17/88/09/610178809.db2.gz RQBCURSSCFBKJK-ZACQAIPSSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000939538395 610231514 /nfs/dbraw/zinc/23/15/14/610231514.db2.gz UWMQGFOKVRLVEE-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000939538395 610231515 /nfs/dbraw/zinc/23/15/15/610231515.db2.gz UWMQGFOKVRLVEE-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000940295556 610261366 /nfs/dbraw/zinc/26/13/66/610261366.db2.gz YYKYKHZAABEXJD-AGIUHOORSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000940295556 610261367 /nfs/dbraw/zinc/26/13/67/610261367.db2.gz YYKYKHZAABEXJD-AGIUHOORSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc(N(C)C)cn3)CC2)C1 ZINC000941411010 610301819 /nfs/dbraw/zinc/30/18/19/610301819.db2.gz RFEDWIDXYQFDFN-UHFFFAOYSA-N 1 1 342.447 0.008 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)CC2)C1 ZINC000941413884 610303285 /nfs/dbraw/zinc/30/32/85/610303285.db2.gz IQSPRFIPGFRCLA-MRXNPFEDSA-N 1 1 343.475 0.858 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCOC[C@@H]3OC)CC2)C1 ZINC000941432499 610312726 /nfs/dbraw/zinc/31/27/26/610312726.db2.gz BJNKSZRTDZCDCB-AEFFLSMTSA-N 1 1 349.475 0.280 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)C1 ZINC000941438424 610315661 /nfs/dbraw/zinc/31/56/61/610315661.db2.gz WOFXYJCPEMIBSF-UHFFFAOYSA-N 1 1 339.390 0.986 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940659315 610326712 /nfs/dbraw/zinc/32/67/12/610326712.db2.gz VZPVUZMLEXADJA-SMDDNHRTSA-N 1 1 331.420 0.851 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C(=O)Nc3ccccc3)CC2)C1 ZINC000941471528 610329841 /nfs/dbraw/zinc/32/98/41/610329841.db2.gz DLSGEUUVEOCORS-UHFFFAOYSA-N 1 1 328.416 0.640 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC000941471558 610329911 /nfs/dbraw/zinc/32/99/11/610329911.db2.gz FXCBZXCWNFOKQM-UHFFFAOYSA-N 1 1 330.432 0.403 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ncnc4[nH]ccc43)CC2)C1 ZINC000941474941 610331438 /nfs/dbraw/zinc/33/14/38/610331438.db2.gz GBIAIQIHWCQZOG-UHFFFAOYSA-N 1 1 338.415 0.375 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2oncc2C)CC1 ZINC000941465890 610334463 /nfs/dbraw/zinc/33/44/63/610334463.db2.gz UQKAPHPHTKTIEM-HNNXBMFYSA-N 1 1 344.415 0.755 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2oncc2C)CC1 ZINC000941465890 610334464 /nfs/dbraw/zinc/33/44/64/610334464.db2.gz UQKAPHPHTKTIEM-HNNXBMFYSA-N 1 1 344.415 0.755 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000941487254 610338752 /nfs/dbraw/zinc/33/87/52/610338752.db2.gz IPYAPMHYCUNDDW-UHFFFAOYSA-N 1 1 337.855 0.772 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)C1 ZINC000941506205 610348165 /nfs/dbraw/zinc/34/81/65/610348165.db2.gz GUTVLAWLWFSABR-UHFFFAOYSA-N 1 1 343.475 0.431 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC000941528051 610360281 /nfs/dbraw/zinc/36/02/81/610360281.db2.gz IZECCLLWZIWBIZ-UHFFFAOYSA-N 1 1 331.420 0.509 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](C)C1 ZINC000942259824 610364650 /nfs/dbraw/zinc/36/46/50/610364650.db2.gz UNJFKAGAWWDCJS-WCQYABFASA-N 1 1 328.844 0.981 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](C)C1 ZINC000942259824 610364653 /nfs/dbraw/zinc/36/46/53/610364653.db2.gz UNJFKAGAWWDCJS-WCQYABFASA-N 1 1 328.844 0.981 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4nn(C)cc43)CC2)C1 ZINC000941534271 610365539 /nfs/dbraw/zinc/36/55/39/610365539.db2.gz RPXJDRYZXSTPLR-MRXNPFEDSA-N 1 1 343.475 0.854 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H](C)C1 ZINC000942285563 610373737 /nfs/dbraw/zinc/37/37/37/610373737.db2.gz DORQRDILIDHYKI-GXTWGEPZSA-N 1 1 342.399 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC000942276244 610377474 /nfs/dbraw/zinc/37/74/74/610377474.db2.gz VQYIIWMUIVBRPO-KGLIPLIRSA-N 1 1 345.399 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC000942276244 610377476 /nfs/dbraw/zinc/37/74/76/610377476.db2.gz VQYIIWMUIVBRPO-KGLIPLIRSA-N 1 1 345.399 0.717 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](C)C1 ZINC000942313090 610392531 /nfs/dbraw/zinc/39/25/31/610392531.db2.gz FJRPSSKBPRAPQE-UONOGXRCSA-N 1 1 334.420 0.742 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3nn(C)c(C)c3Cl)CC2)C1 ZINC000941586856 610396583 /nfs/dbraw/zinc/39/65/83/610396583.db2.gz CQLFKFKORMBGHR-UHFFFAOYSA-N 1 1 349.866 0.847 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000940863920 610400805 /nfs/dbraw/zinc/40/08/05/610400805.db2.gz ICETUWCIIFSWDZ-LBPRGKRZSA-N 1 1 339.417 0.391 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603696 610403225 /nfs/dbraw/zinc/40/32/25/610403225.db2.gz MJKUVHMNAXSDOV-IEBWSBKVSA-N 1 1 344.503 0.855 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCCN3C(N)=O)CC2)C1 ZINC000941636946 610422868 /nfs/dbraw/zinc/42/28/68/610422868.db2.gz YZLLIFMYDDGJSP-INIZCTEOSA-N 1 1 349.479 0.324 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C(C)(C)C1 ZINC000940926640 610443274 /nfs/dbraw/zinc/44/32/74/610443274.db2.gz WHZUSYPVESYBKV-AWEZNQCLSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ncc4n3CCCC4)CC2)C1 ZINC000941670512 610444284 /nfs/dbraw/zinc/44/42/84/610444284.db2.gz WXRJQHARFTUEBG-UHFFFAOYSA-N 1 1 329.448 0.847 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000941671249 610444816 /nfs/dbraw/zinc/44/48/16/610444816.db2.gz FHXMKGUFPBDYSU-OAHLLOKOSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CCC)CC2)C1 ZINC000941677053 610449837 /nfs/dbraw/zinc/44/98/37/610449837.db2.gz IVYDBCKFJVHGBB-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(C(N)=O)cs3)CC2)C1 ZINC000941677870 610450847 /nfs/dbraw/zinc/45/08/47/610450847.db2.gz XJXKXXDEHOUJGX-UHFFFAOYSA-N 1 1 334.445 0.475 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc(OCC)cn3)CC2)C1 ZINC000941690011 610465370 /nfs/dbraw/zinc/46/53/70/610465370.db2.gz FEEKLMSYALIOMK-UHFFFAOYSA-N 1 1 343.431 0.341 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C(C)(C)C1 ZINC000941014638 610494812 /nfs/dbraw/zinc/49/48/12/610494812.db2.gz GRBKHYBCFQRPQO-LLVKDONJSA-N 1 1 341.437 0.073 20 30 ECEDMO C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562146 610518209 /nfs/dbraw/zinc/51/82/09/610518209.db2.gz IBBUCCYUYZHKSB-SWLSCSKDSA-N 1 1 339.403 0.722 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562146 610518210 /nfs/dbraw/zinc/51/82/10/610518210.db2.gz IBBUCCYUYZHKSB-SWLSCSKDSA-N 1 1 339.403 0.722 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C(C)(C)C1 ZINC000941067746 610524422 /nfs/dbraw/zinc/52/44/22/610524422.db2.gz HIBKDLLMXYXGAF-AWEZNQCLSA-N 1 1 344.419 0.294 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)nn1 ZINC000941085182 610529038 /nfs/dbraw/zinc/52/90/38/610529038.db2.gz LQHBGJUQAUUFTH-KGLIPLIRSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941090496 610531192 /nfs/dbraw/zinc/53/11/92/610531192.db2.gz HGYWASVSQWKGHW-OLZOCXBDSA-N 1 1 329.466 0.423 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941090495 610531271 /nfs/dbraw/zinc/53/12/71/610531271.db2.gz HGYWASVSQWKGHW-CHWSQXEVSA-N 1 1 329.466 0.423 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000941102747 610537647 /nfs/dbraw/zinc/53/76/47/610537647.db2.gz RHPVYRLBNZZWRW-MRXNPFEDSA-N 1 1 340.427 0.689 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H](C)C1 ZINC000942618133 610539595 /nfs/dbraw/zinc/53/95/95/610539595.db2.gz UEQUURNZPUJPDY-ZYHUDNBSSA-N 1 1 341.437 0.073 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2nc3ncccn3n2)C(C)(C)C1 ZINC000941107243 610539657 /nfs/dbraw/zinc/53/96/57/610539657.db2.gz JLFXRRINDMHBOO-ZDUSSCGKSA-N 1 1 326.404 0.978 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929369 610566901 /nfs/dbraw/zinc/56/69/01/610566901.db2.gz LLRDFXXSTJYJPB-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929847 610567724 /nfs/dbraw/zinc/56/77/24/610567724.db2.gz PKKNLQPHJGCVSE-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000941164593 610571596 /nfs/dbraw/zinc/57/15/96/610571596.db2.gz VTWDLOOSJRWTMK-CYBMUJFWSA-N 1 1 342.403 0.271 20 30 ECEDMO C[C@H]1C[N@@H+](CCn2cncn2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966852 610581617 /nfs/dbraw/zinc/58/16/17/610581617.db2.gz OHPNJJMHDPUWQM-GXTWGEPZSA-N 1 1 327.392 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)CC2(C)C)nc1 ZINC000941169276 610583205 /nfs/dbraw/zinc/58/32/05/610583205.db2.gz KPDPKXXIBBQFKF-HNNXBMFYSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)CC2(C)C)nc1 ZINC000941169276 610583206 /nfs/dbraw/zinc/58/32/06/610583206.db2.gz KPDPKXXIBBQFKF-HNNXBMFYSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)CC2(C)C)cn1 ZINC000941170207 610583477 /nfs/dbraw/zinc/58/34/77/610583477.db2.gz UMAAHMNTIMHLDP-MRXNPFEDSA-N 1 1 342.443 0.981 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000941197875 610589026 /nfs/dbraw/zinc/58/90/26/610589026.db2.gz CYIBPFFLHRNRSE-CYBMUJFWSA-N 1 1 348.447 0.557 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000941199968 610590034 /nfs/dbraw/zinc/59/00/34/610590034.db2.gz SYSWCQDPOOZMEP-ZDUSSCGKSA-N 1 1 348.447 0.557 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC000941185716 610591812 /nfs/dbraw/zinc/59/18/12/610591812.db2.gz AYFVGBRPDAGBDQ-MRXNPFEDSA-N 1 1 327.428 0.912 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC000941185716 610591815 /nfs/dbraw/zinc/59/18/15/610591815.db2.gz AYFVGBRPDAGBDQ-MRXNPFEDSA-N 1 1 327.428 0.912 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)C1 ZINC000941207272 610596937 /nfs/dbraw/zinc/59/69/37/610596937.db2.gz PLGIUNYTTVQSQN-GFCCVEGCSA-N 1 1 331.420 0.982 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C(C)(C)C1 ZINC000941237287 610620843 /nfs/dbraw/zinc/62/08/43/610620843.db2.gz KHYLWTJKTJHGBX-GJZGRUSLSA-N 1 1 329.448 0.999 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000941237051 610621045 /nfs/dbraw/zinc/62/10/45/610621045.db2.gz GQHKMYLVOZODBR-AWEZNQCLSA-N 1 1 348.451 0.560 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000941237645 610621050 /nfs/dbraw/zinc/62/10/50/610621050.db2.gz DQNWBYBLCLAFFE-ZBFHGGJFSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000941237645 610621053 /nfs/dbraw/zinc/62/10/53/610621053.db2.gz DQNWBYBLCLAFFE-ZBFHGGJFSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC000941238094 610622216 /nfs/dbraw/zinc/62/22/16/610622216.db2.gz SYFFIQRGCKVMCY-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC000941238094 610622218 /nfs/dbraw/zinc/62/22/18/610622218.db2.gz SYFFIQRGCKVMCY-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000942801896 610628809 /nfs/dbraw/zinc/62/88/09/610628809.db2.gz MTEMEJSHYKJYDZ-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H](C)C1 ZINC000942056838 610635409 /nfs/dbraw/zinc/63/54/09/610635409.db2.gz JFARCCDTDVKEEW-KGLIPLIRSA-N 1 1 333.432 0.621 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](C)C1 ZINC000942855842 610659275 /nfs/dbraw/zinc/65/92/75/610659275.db2.gz BNPNHRGZLAWMHG-UONOGXRCSA-N 1 1 330.432 0.814 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@H](C)C1 ZINC000942891786 610668711 /nfs/dbraw/zinc/66/87/11/610668711.db2.gz CGRPGMCFNFRROB-HIFRSBDPSA-N 1 1 328.416 0.952 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@@H](C)C1 ZINC000942220976 610701521 /nfs/dbraw/zinc/70/15/21/610701521.db2.gz ZPMPHQSIQJSFKP-HOCLYGCPSA-N 1 1 331.416 0.568 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn(CCOC)c3C)CC2)C1 ZINC000941408357 610722551 /nfs/dbraw/zinc/72/25/51/610722551.db2.gz CDJIUVBRROSTQP-UHFFFAOYSA-N 1 1 347.463 0.466 20 30 ECEDMO C=CCCN1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408916 610722800 /nfs/dbraw/zinc/72/28/00/610722800.db2.gz YFFARCXIQLYIQM-GOSISDBHSA-N 1 1 332.492 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CC=CC2)[C@H](OC)C1 ZINC000941409506 610723049 /nfs/dbraw/zinc/72/30/49/610723049.db2.gz BJHOXEJSYIXDMQ-IXDOHACOSA-N 1 1 345.443 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CC=CC2)[C@H](OC)C1 ZINC000941409506 610723050 /nfs/dbraw/zinc/72/30/50/610723050.db2.gz BJHOXEJSYIXDMQ-IXDOHACOSA-N 1 1 345.443 0.392 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943154507 610737039 /nfs/dbraw/zinc/73/70/39/610737039.db2.gz AMKHUVXPIGUNHW-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943154507 610737040 /nfs/dbraw/zinc/73/70/40/610737040.db2.gz AMKHUVXPIGUNHW-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccnc3nc(C)nn32)[C@@H](C)C1 ZINC000944156346 610770728 /nfs/dbraw/zinc/77/07/28/610770728.db2.gz UPIYAOWLKUGVIU-JSGCOSHPSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@@H](C)C1 ZINC000944191699 610775493 /nfs/dbraw/zinc/77/54/93/610775493.db2.gz DRIAVRZJVMISAQ-ZFWWWQNUSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC000944829491 610801762 /nfs/dbraw/zinc/80/17/62/610801762.db2.gz UTORIEJVPDQJQZ-INIZCTEOSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC000944829491 610801763 /nfs/dbraw/zinc/80/17/63/610801763.db2.gz UTORIEJVPDQJQZ-INIZCTEOSA-N 1 1 343.431 0.537 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000944251585 610807129 /nfs/dbraw/zinc/80/71/29/610807129.db2.gz UTIWJKKESZDPPT-VXGBXAGGSA-N 1 1 333.392 0.617 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000944276824 610819073 /nfs/dbraw/zinc/81/90/73/610819073.db2.gz COMLQCFXHQCFKD-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1OCC[C@H]1C ZINC000944304717 610830474 /nfs/dbraw/zinc/83/04/74/610830474.db2.gz VEFPRNLRILJMSA-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1OCC[C@H]1C ZINC000944304717 610830475 /nfs/dbraw/zinc/83/04/75/610830475.db2.gz VEFPRNLRILJMSA-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3CC3)C2)CC1 ZINC000944967409 610860652 /nfs/dbraw/zinc/86/06/52/610860652.db2.gz PZWCXNYZIVIKBM-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3CC3)C2)CC1 ZINC000944967409 610860653 /nfs/dbraw/zinc/86/06/53/610860653.db2.gz PZWCXNYZIVIKBM-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ccon2)CC1 ZINC000943642107 610925359 /nfs/dbraw/zinc/92/53/59/610925359.db2.gz YNHJNAULGBFWEJ-DZKIICNBSA-N 1 1 344.415 0.929 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ccon2)CC1 ZINC000943642107 610925361 /nfs/dbraw/zinc/92/53/61/610925361.db2.gz YNHJNAULGBFWEJ-DZKIICNBSA-N 1 1 344.415 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC000945195954 610947053 /nfs/dbraw/zinc/94/70/53/610947053.db2.gz QTEDHTPCDVBIIB-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC000945195954 610947056 /nfs/dbraw/zinc/94/70/56/610947056.db2.gz QTEDHTPCDVBIIB-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)c3ccn[nH]3)CC2)CC1 ZINC000944593237 611001005 /nfs/dbraw/zinc/00/10/05/611001005.db2.gz OKGDLKRDLGDZDH-UHFFFAOYSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC000943902511 611023570 /nfs/dbraw/zinc/02/35/70/611023570.db2.gz KTPJWQQSARADJU-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC000943902511 611023573 /nfs/dbraw/zinc/02/35/73/611023573.db2.gz KTPJWQQSARADJU-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC(C)C)CCO1 ZINC000944644164 611049765 /nfs/dbraw/zinc/04/97/65/611049765.db2.gz ADFZKQGPJUSPRH-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC(C)C)CCO1 ZINC000944644164 611049768 /nfs/dbraw/zinc/04/97/68/611049768.db2.gz ADFZKQGPJUSPRH-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2(C)CCC2)CCO1 ZINC000944644288 611050118 /nfs/dbraw/zinc/05/01/18/611050118.db2.gz IKQJLKPRGKTTPL-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2(C)CCC2)CCO1 ZINC000944644288 611050120 /nfs/dbraw/zinc/05/01/20/611050120.db2.gz IKQJLKPRGKTTPL-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2(C)CC2)CCO1 ZINC000944644955 611050466 /nfs/dbraw/zinc/05/04/66/611050466.db2.gz PLDRLOREMIMTIM-GJZGRUSLSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2(C)CC2)CCO1 ZINC000944644955 611050468 /nfs/dbraw/zinc/05/04/68/611050468.db2.gz PLDRLOREMIMTIM-GJZGRUSLSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C)C1 ZINC000943986149 611069837 /nfs/dbraw/zinc/06/98/37/611069837.db2.gz CWCPOONWYDEQKN-STQMWFEESA-N 1 1 336.436 0.720 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944659819 611075809 /nfs/dbraw/zinc/07/58/09/611075809.db2.gz VIRGMIREBKWSCG-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](C)C1 ZINC000944032864 611097441 /nfs/dbraw/zinc/09/74/41/611097441.db2.gz IEKQGXDALBEDMK-LSDHHAIUSA-N 1 1 347.463 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC000944097800 611130845 /nfs/dbraw/zinc/13/08/45/611130845.db2.gz LSNQQKXPRMQEPN-HIFRSBDPSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC000944097800 611130847 /nfs/dbraw/zinc/13/08/47/611130847.db2.gz LSNQQKXPRMQEPN-HIFRSBDPSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(=O)NC)n3)CC[C@@H]2C1 ZINC000946878637 611217786 /nfs/dbraw/zinc/21/77/86/611217786.db2.gz USJIRIDYFDJMRM-GASCZTMLSA-N 1 1 340.427 0.858 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000946092342 611227732 /nfs/dbraw/zinc/22/77/32/611227732.db2.gz HRZJUHNCQXEUMQ-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2nnn(-c3ccn(C)n3)c2C)C1 ZINC000923559538 611261207 /nfs/dbraw/zinc/26/12/07/611261207.db2.gz NMYWHGROBIJBTN-ZDUSSCGKSA-N 1 1 327.392 0.137 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nnn(-c3ccn(C)n3)c2C)C1 ZINC000923559538 611261208 /nfs/dbraw/zinc/26/12/08/611261208.db2.gz NMYWHGROBIJBTN-ZDUSSCGKSA-N 1 1 327.392 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CSc2nnc(CCC)n2N)C1 ZINC000923559466 611261453 /nfs/dbraw/zinc/26/14/53/611261453.db2.gz FLMMFDNDPPBLHK-GFCCVEGCSA-N 1 1 336.465 0.250 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CSc2nnc(CCC)n2N)C1 ZINC000923559466 611261455 /nfs/dbraw/zinc/26/14/55/611261455.db2.gz FLMMFDNDPPBLHK-GFCCVEGCSA-N 1 1 336.465 0.250 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)C1 ZINC000923560116 611261581 /nfs/dbraw/zinc/26/15/81/611261581.db2.gz NGHGJCHJZOMKQV-LPHOPBHVSA-N 1 1 325.412 0.658 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)C1 ZINC000923560116 611261582 /nfs/dbraw/zinc/26/15/82/611261582.db2.gz NGHGJCHJZOMKQV-LPHOPBHVSA-N 1 1 325.412 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000923560133 611261916 /nfs/dbraw/zinc/26/19/16/611261916.db2.gz ZUTJLWQGAKVYDS-ZDUSSCGKSA-N 1 1 337.420 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000923560133 611261917 /nfs/dbraw/zinc/26/19/17/611261917.db2.gz ZUTJLWQGAKVYDS-ZDUSSCGKSA-N 1 1 337.420 0.182 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(ncnc3N(C)C)n2C)C1 ZINC000923564035 611263326 /nfs/dbraw/zinc/26/33/26/611263326.db2.gz RACQGGCMOMSSJI-CYBMUJFWSA-N 1 1 340.431 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(ncnc3N(C)C)n2C)C1 ZINC000923564035 611263327 /nfs/dbraw/zinc/26/33/27/611263327.db2.gz RACQGGCMOMSSJI-CYBMUJFWSA-N 1 1 340.431 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)C1 ZINC000923563625 611263360 /nfs/dbraw/zinc/26/33/60/611263360.db2.gz IKUNWPSMSQKPGO-UONOGXRCSA-N 1 1 328.420 0.777 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)C1 ZINC000923563625 611263361 /nfs/dbraw/zinc/26/33/61/611263361.db2.gz IKUNWPSMSQKPGO-UONOGXRCSA-N 1 1 328.420 0.777 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)COCCNC(=O)c2ccccc2)C1 ZINC000923565942 611264065 /nfs/dbraw/zinc/26/40/65/611264065.db2.gz LVQKYOUECWEZQT-QGZVFWFLSA-N 1 1 343.427 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)COCCNC(=O)c2ccccc2)C1 ZINC000923565942 611264067 /nfs/dbraw/zinc/26/40/67/611264067.db2.gz LVQKYOUECWEZQT-QGZVFWFLSA-N 1 1 343.427 0.647 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)c(C)c2)C1 ZINC000923578467 611266985 /nfs/dbraw/zinc/26/69/85/611266985.db2.gz GKRXYGIDVQFFNZ-AWEZNQCLSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)c(C)c2)C1 ZINC000923578467 611266988 /nfs/dbraw/zinc/26/69/88/611266988.db2.gz GKRXYGIDVQFFNZ-AWEZNQCLSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC000923588221 611269986 /nfs/dbraw/zinc/26/99/86/611269986.db2.gz AWNSRISWUMZTKU-MRXNPFEDSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC000923588221 611269987 /nfs/dbraw/zinc/26/99/87/611269987.db2.gz AWNSRISWUMZTKU-MRXNPFEDSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(OCC)OCC)nn2)C1 ZINC000923585410 611271835 /nfs/dbraw/zinc/27/18/35/611271835.db2.gz SPDLHXLKSSIWOX-CQSZACIVSA-N 1 1 349.435 0.505 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(OCC)OCC)nn2)C1 ZINC000923585410 611271837 /nfs/dbraw/zinc/27/18/37/611271837.db2.gz SPDLHXLKSSIWOX-CQSZACIVSA-N 1 1 349.435 0.505 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921912239 611326258 /nfs/dbraw/zinc/32/62/58/611326258.db2.gz WPKWLSPEIFYYDT-ZDUSSCGKSA-N 1 1 336.417 0.485 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921912239 611326260 /nfs/dbraw/zinc/32/62/60/611326260.db2.gz WPKWLSPEIFYYDT-ZDUSSCGKSA-N 1 1 336.417 0.485 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[NH+]2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000929224971 611738461 /nfs/dbraw/zinc/73/84/61/611738461.db2.gz BRPLLSMGSGJMTF-UHFFFAOYSA-N 1 1 342.443 0.702 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C ZINC000947928639 611744088 /nfs/dbraw/zinc/74/40/88/611744088.db2.gz FKSYLNXIQUNGSD-NEPJUHHUSA-N 1 1 328.376 0.024 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@H](C)C2)cn1 ZINC000947946392 611751749 /nfs/dbraw/zinc/75/17/49/611751749.db2.gz AKHXAKBVZNOSEH-PBHICJAKSA-N 1 1 338.415 0.937 20 30 ECEDMO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000948957227 611769595 /nfs/dbraw/zinc/76/95/95/611769595.db2.gz CVNGLVHOUJNHKC-IXDOHACOSA-N 1 1 343.427 0.921 20 30 ECEDMO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000948957227 611769597 /nfs/dbraw/zinc/76/95/97/611769597.db2.gz CVNGLVHOUJNHKC-IXDOHACOSA-N 1 1 343.427 0.921 20 30 ECEDMO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000948966473 611774796 /nfs/dbraw/zinc/77/47/96/611774796.db2.gz ZXDHVBABOQDCPI-GJZGRUSLSA-N 1 1 342.399 0.486 20 30 ECEDMO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000948966473 611774801 /nfs/dbraw/zinc/77/48/01/611774801.db2.gz ZXDHVBABOQDCPI-GJZGRUSLSA-N 1 1 342.399 0.486 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc(C)c(C#N)c1 ZINC000929864765 611801331 /nfs/dbraw/zinc/80/13/31/611801331.db2.gz SFDZKDDICRVBCN-UHFFFAOYSA-N 1 1 325.372 0.804 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1COC ZINC000934854315 611826180 /nfs/dbraw/zinc/82/61/80/611826180.db2.gz XENUANQHLBEIFS-AWEZNQCLSA-N 1 1 339.436 0.694 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1COC ZINC000934854315 611826183 /nfs/dbraw/zinc/82/61/83/611826183.db2.gz XENUANQHLBEIFS-AWEZNQCLSA-N 1 1 339.436 0.694 20 30 ECEDMO CCn1nncc1C[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC000949051888 611829381 /nfs/dbraw/zinc/82/93/81/611829381.db2.gz SFJOWRJNOCAYAS-CQSZACIVSA-N 1 1 346.435 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cnns2)C1 ZINC000950141483 611881951 /nfs/dbraw/zinc/88/19/51/611881951.db2.gz YWMAZBQJVLKBBG-STQMWFEESA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cnns2)C1 ZINC000950141483 611881953 /nfs/dbraw/zinc/88/19/53/611881953.db2.gz YWMAZBQJVLKBBG-STQMWFEESA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ncoc1C ZINC000950754990 611890711 /nfs/dbraw/zinc/89/07/11/611890711.db2.gz AXXTUXKXWMSCGC-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ncoc1C ZINC000950754990 611890714 /nfs/dbraw/zinc/89/07/14/611890714.db2.gz AXXTUXKXWMSCGC-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1oc(C)nc1C ZINC000950755806 611891326 /nfs/dbraw/zinc/89/13/26/611891326.db2.gz UXMDIWVHWUCEDZ-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1oc(C)nc1C ZINC000950755806 611891327 /nfs/dbraw/zinc/89/13/27/611891327.db2.gz UXMDIWVHWUCEDZ-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1ccc[nH]1 ZINC000950755699 611891410 /nfs/dbraw/zinc/89/14/10/611891410.db2.gz RUQHVJBZLMGPMA-CVEARBPZSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1ccc[nH]1 ZINC000950755699 611891411 /nfs/dbraw/zinc/89/14/11/611891411.db2.gz RUQHVJBZLMGPMA-CVEARBPZSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1C ZINC000950755616 611891465 /nfs/dbraw/zinc/89/14/65/611891465.db2.gz QAKJCICYNVDHIK-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1C ZINC000950755616 611891466 /nfs/dbraw/zinc/89/14/66/611891466.db2.gz QAKJCICYNVDHIK-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1coc(C)n1 ZINC000950755859 611891841 /nfs/dbraw/zinc/89/18/41/611891841.db2.gz WKFSZSNCBGNEFX-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1coc(C)n1 ZINC000950755859 611891842 /nfs/dbraw/zinc/89/18/42/611891842.db2.gz WKFSZSNCBGNEFX-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]cc1C ZINC000950755957 611891904 /nfs/dbraw/zinc/89/19/04/611891904.db2.gz YPABOFIAUHGIRU-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1n[nH]cc1C ZINC000950755957 611891905 /nfs/dbraw/zinc/89/19/05/611891905.db2.gz YPABOFIAUHGIRU-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 ZINC000949288741 611928540 /nfs/dbraw/zinc/92/85/40/611928540.db2.gz AMJYEBHKWSPVHP-UHFFFAOYSA-N 1 1 329.400 0.650 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000950252381 611929428 /nfs/dbraw/zinc/92/94/28/611929428.db2.gz PQYGPGHOTYRAMD-OFQRWUPVSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000950290501 611957728 /nfs/dbraw/zinc/95/77/28/611957728.db2.gz OGRPAJWXKUSPOG-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000950290501 611957730 /nfs/dbraw/zinc/95/77/30/611957730.db2.gz OGRPAJWXKUSPOG-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC000949427301 611975539 /nfs/dbraw/zinc/97/55/39/611975539.db2.gz JOWYHNZVCSGXHC-KRWDZBQOSA-N 1 1 333.432 0.229 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC000949427301 611975541 /nfs/dbraw/zinc/97/55/41/611975541.db2.gz JOWYHNZVCSGXHC-KRWDZBQOSA-N 1 1 333.432 0.229 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC000949427302 611975801 /nfs/dbraw/zinc/97/58/01/611975801.db2.gz JOWYHNZVCSGXHC-QGZVFWFLSA-N 1 1 333.432 0.229 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC000949427302 611975803 /nfs/dbraw/zinc/97/58/03/611975803.db2.gz JOWYHNZVCSGXHC-QGZVFWFLSA-N 1 1 333.432 0.229 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)C1 ZINC000949430445 611977287 /nfs/dbraw/zinc/97/72/87/611977287.db2.gz SSIATIGREASPMR-LSDHHAIUSA-N 1 1 335.448 0.767 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000949448438 611984038 /nfs/dbraw/zinc/98/40/38/611984038.db2.gz CQMOVGPZZNQMLZ-MRVWCRGKSA-N 1 1 329.404 0.557 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949449443 611984981 /nfs/dbraw/zinc/98/49/81/611984981.db2.gz NXZZINCMCKNNPC-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CN(CC)CCO3)CC2)C1 ZINC000949529447 612022718 /nfs/dbraw/zinc/02/27/18/612022718.db2.gz UGZXMQZHGUGWMH-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CN(CC)CCO3)CC2)C1 ZINC000949529447 612022720 /nfs/dbraw/zinc/02/27/20/612022720.db2.gz UGZXMQZHGUGWMH-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCN1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1=O ZINC000950491233 612037555 /nfs/dbraw/zinc/03/75/55/612037555.db2.gz KQRINUUSTOYTEV-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1=O ZINC000950491235 612037714 /nfs/dbraw/zinc/03/77/14/612037714.db2.gz KQRINUUSTOYTEV-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000950507682 612045095 /nfs/dbraw/zinc/04/50/95/612045095.db2.gz BINCRUQVFBBIEU-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2noc(CC)n2)C1 ZINC000950534500 612058327 /nfs/dbraw/zinc/05/83/27/612058327.db2.gz XJBVEGYISDYYFK-HNNXBMFYSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2noc(CC)n2)C1 ZINC000950534500 612058329 /nfs/dbraw/zinc/05/83/29/612058329.db2.gz XJBVEGYISDYYFK-HNNXBMFYSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC000951223357 612087819 /nfs/dbraw/zinc/08/78/19/612087819.db2.gz FIQJYIRHXVHKPB-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC000951223357 612087821 /nfs/dbraw/zinc/08/78/21/612087821.db2.gz FIQJYIRHXVHKPB-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC000951223332 612088139 /nfs/dbraw/zinc/08/81/39/612088139.db2.gz DRWXAUHWXUNKBN-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC000951223332 612088142 /nfs/dbraw/zinc/08/81/42/612088142.db2.gz DRWXAUHWXUNKBN-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000951252926 612106705 /nfs/dbraw/zinc/10/67/05/612106705.db2.gz MXWADJYZYQBFRR-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000951252926 612106707 /nfs/dbraw/zinc/10/67/07/612106707.db2.gz MXWADJYZYQBFRR-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000953034528 612144043 /nfs/dbraw/zinc/14/40/43/612144043.db2.gz FIOKTMSIMVLUBE-LPHOPBHVSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000953034528 612144045 /nfs/dbraw/zinc/14/40/45/612144045.db2.gz FIOKTMSIMVLUBE-LPHOPBHVSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)CSC)C2)C1 ZINC000953084834 612154644 /nfs/dbraw/zinc/15/46/44/612154644.db2.gz LDMGQEYQXNOFCX-YJBOKZPZSA-N 1 1 349.500 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)CSC)C2)C1 ZINC000953084834 612154646 /nfs/dbraw/zinc/15/46/46/612154646.db2.gz LDMGQEYQXNOFCX-YJBOKZPZSA-N 1 1 349.500 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000951387309 612199560 /nfs/dbraw/zinc/19/95/60/612199560.db2.gz AQRJIBAKGRSHLB-HOCLYGCPSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000951387309 612199561 /nfs/dbraw/zinc/19/95/61/612199561.db2.gz AQRJIBAKGRSHLB-HOCLYGCPSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nocc1C ZINC000952121194 612233702 /nfs/dbraw/zinc/23/37/02/612233702.db2.gz RBGUVDBPZJJUFU-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nocc1C ZINC000952121194 612233704 /nfs/dbraw/zinc/23/37/04/612233704.db2.gz RBGUVDBPZJJUFU-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC000952135613 612242226 /nfs/dbraw/zinc/24/22/26/612242226.db2.gz INXFJKIJZBKSHW-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC000952135613 612242229 /nfs/dbraw/zinc/24/22/29/612242229.db2.gz INXFJKIJZBKSHW-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2conc2CC)C1 ZINC000955239954 612375579 /nfs/dbraw/zinc/37/55/79/612375579.db2.gz FDFPRUUSSQPWFX-INIZCTEOSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2conc2CC)C1 ZINC000955239954 612375584 /nfs/dbraw/zinc/37/55/84/612375584.db2.gz FDFPRUUSSQPWFX-INIZCTEOSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccccn2)C1 ZINC000953534851 612392402 /nfs/dbraw/zinc/39/24/02/612392402.db2.gz IGFHSLYLJBWGAN-INIZCTEOSA-N 1 1 326.400 0.462 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccccn2)C1 ZINC000953534851 612392408 /nfs/dbraw/zinc/39/24/08/612392408.db2.gz IGFHSLYLJBWGAN-INIZCTEOSA-N 1 1 326.400 0.462 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000955339288 612458562 /nfs/dbraw/zinc/45/85/62/612458562.db2.gz YZZPVKVDBJCHJI-BMFZPTHFSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2(C(F)F)CC2)C1 ZINC000954630712 612467910 /nfs/dbraw/zinc/46/79/10/612467910.db2.gz HKLLEXNFQZEIBU-ZDUSSCGKSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2(C(F)F)CC2)C1 ZINC000954630712 612467912 /nfs/dbraw/zinc/46/79/12/612467912.db2.gz HKLLEXNFQZEIBU-ZDUSSCGKSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCn2ccnc2)C1 ZINC000954630753 612468089 /nfs/dbraw/zinc/46/80/89/612468089.db2.gz IMJXNNGSOOVIPT-INIZCTEOSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCn2ccnc2)C1 ZINC000954630753 612468092 /nfs/dbraw/zinc/46/80/92/612468092.db2.gz IMJXNNGSOOVIPT-INIZCTEOSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2conc2CC)C1 ZINC000954631497 612470671 /nfs/dbraw/zinc/47/06/71/612470671.db2.gz YNLAEEAIQVYEHN-INIZCTEOSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2conc2CC)C1 ZINC000954631497 612470675 /nfs/dbraw/zinc/47/06/75/612470675.db2.gz YNLAEEAIQVYEHN-INIZCTEOSA-N 1 1 344.415 0.617 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000951716604 612497749 /nfs/dbraw/zinc/49/77/49/612497749.db2.gz FCNPLOWNWYLOKF-HZPDHXFCSA-N 1 1 333.432 0.226 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000956776916 612519125 /nfs/dbraw/zinc/51/91/25/612519125.db2.gz RLNQYAYIXXRQMD-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953999402 612537820 /nfs/dbraw/zinc/53/78/20/612537820.db2.gz NIABHOGJEAEUHB-UHFFFAOYSA-N 1 1 326.360 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H](O)C(C)C ZINC000955993752 612581587 /nfs/dbraw/zinc/58/15/87/612581587.db2.gz DHAPGUKSMFGADD-HRCADAONSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H](O)C(C)C ZINC000955993752 612581588 /nfs/dbraw/zinc/58/15/88/612581588.db2.gz DHAPGUKSMFGADD-HRCADAONSA-N 1 1 335.448 0.208 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000954059960 612610652 /nfs/dbraw/zinc/61/06/52/612610652.db2.gz YKLHSVVPPBLFHZ-LBPRGKRZSA-N 1 1 347.419 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC000956840595 612613004 /nfs/dbraw/zinc/61/30/04/612613004.db2.gz QJDVENRYDHSBDW-RLFYNMQTSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC000956840595 612613008 /nfs/dbraw/zinc/61/30/08/612613008.db2.gz QJDVENRYDHSBDW-RLFYNMQTSA-N 1 1 333.432 0.370 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000956842906 612617248 /nfs/dbraw/zinc/61/72/48/612617248.db2.gz NMEFEHAYVWEUDC-CDHAZOANSA-N 1 1 343.431 0.947 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956843808 612619097 /nfs/dbraw/zinc/61/90/97/612619097.db2.gz XHISIZPQLMOTEX-QGZVFWFLSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H](C)n2cccc2)C1 ZINC000954074335 612633131 /nfs/dbraw/zinc/63/31/31/612633131.db2.gz LCROKFRQTVOEIT-WBVHZDCISA-N 1 1 342.443 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H](C)n2cccc2)C1 ZINC000954074335 612633137 /nfs/dbraw/zinc/63/31/37/612633137.db2.gz LCROKFRQTVOEIT-WBVHZDCISA-N 1 1 342.443 0.816 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954088442 612647054 /nfs/dbraw/zinc/64/70/54/612647054.db2.gz LHMXHCWHFAHORM-UHFFFAOYSA-N 1 1 326.360 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC000951822576 612666659 /nfs/dbraw/zinc/66/66/59/612666659.db2.gz DGYXDYGELDGOEF-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC000951822576 612666662 /nfs/dbraw/zinc/66/66/62/612666662.db2.gz DGYXDYGELDGOEF-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954839198 612733988 /nfs/dbraw/zinc/73/39/88/612733988.db2.gz HWJLHOMSKFPWEJ-BMFZPTHFSA-N 1 1 335.448 0.589 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC000954913274 612782911 /nfs/dbraw/zinc/78/29/11/612782911.db2.gz STUNIUCWTYYIQI-AWEZNQCLSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cnsn2)C1 ZINC000956728184 612938692 /nfs/dbraw/zinc/93/86/92/612938692.db2.gz HPCLZENTKBJDOB-XJKSGUPXSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cnsn2)C1 ZINC000956728184 612938693 /nfs/dbraw/zinc/93/86/93/612938693.db2.gz HPCLZENTKBJDOB-XJKSGUPXSA-N 1 1 347.444 0.357 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C)nc3C#N)CC[C@H]2C1 ZINC001164860217 720870342 /nfs/dbraw/zinc/87/03/42/720870342.db2.gz VZHBNESLYVILQC-HOCLYGCPSA-N 1 1 331.420 0.830 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C)nc3C#N)CC[C@H]2C1 ZINC001164860216 720870708 /nfs/dbraw/zinc/87/07/08/720870708.db2.gz VZHBNESLYVILQC-GOEBONIOSA-N 1 1 331.420 0.830 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C)nc3C#N)CC[C@@H]2C1 ZINC001164860218 720870773 /nfs/dbraw/zinc/87/07/73/720870773.db2.gz VZHBNESLYVILQC-ZBFHGGJFSA-N 1 1 331.420 0.830 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccccc2O)C1 ZINC001149168384 735362070 /nfs/dbraw/zinc/36/20/70/735362070.db2.gz SHFWHLVZIIDBAY-HNNXBMFYSA-N 1 1 332.400 0.863 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccccc2O)C1 ZINC001149168384 735362074 /nfs/dbraw/zinc/36/20/74/735362074.db2.gz SHFWHLVZIIDBAY-HNNXBMFYSA-N 1 1 332.400 0.863 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccnc4nc(C)nn43)C2)C1 ZINC001041786056 782203200 /nfs/dbraw/zinc/20/32/00/782203200.db2.gz RGVFNRGFFZCKGA-GOSISDBHSA-N 1 1 338.415 0.994 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC001041787216 782206625 /nfs/dbraw/zinc/20/66/25/782206625.db2.gz XMQBUBDYELXMJA-INIZCTEOSA-N 1 1 334.376 0.620 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC000971996098 735480745 /nfs/dbraw/zinc/48/07/45/735480745.db2.gz MPOMVFIWDZKYMQ-AAEUAGOBSA-N 1 1 337.811 0.651 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC000971996098 735480749 /nfs/dbraw/zinc/48/07/49/735480749.db2.gz MPOMVFIWDZKYMQ-AAEUAGOBSA-N 1 1 337.811 0.651 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC001098561256 735482558 /nfs/dbraw/zinc/48/25/58/735482558.db2.gz YSTHMMDRKAWKEB-UHFFFAOYSA-N 1 1 333.432 0.872 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001104537770 738446728 /nfs/dbraw/zinc/44/67/28/738446728.db2.gz IKLWSMNMABLYCK-UKRRQHHQSA-N 1 1 331.420 0.851 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001104537770 738446731 /nfs/dbraw/zinc/44/67/31/738446731.db2.gz IKLWSMNMABLYCK-UKRRQHHQSA-N 1 1 331.420 0.851 20 30 ECEDMO C#CCOCCC(=O)N1CCO[C@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC001111954506 738494078 /nfs/dbraw/zinc/49/40/78/738494078.db2.gz COFCBZSMHPXAFB-OAHLLOKOSA-N 1 1 332.404 0.773 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC000969153159 731533602 /nfs/dbraw/zinc/53/36/02/731533602.db2.gz BHZWNQMGWWNPLY-IAGOWNOFSA-N 1 1 335.448 0.618 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1ncccc1C#N ZINC001125279704 731565467 /nfs/dbraw/zinc/56/54/67/731565467.db2.gz MXWBWWXYUQMYKG-GDBMZVCRSA-N 1 1 345.447 0.693 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ccncc2C#N)C1 ZINC001125280419 731577394 /nfs/dbraw/zinc/57/73/94/731577394.db2.gz RSERICCELIUASZ-ZBFHGGJFSA-N 1 1 345.447 0.551 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC000969251753 731645442 /nfs/dbraw/zinc/64/54/42/731645442.db2.gz KALGYXKUAPJVNE-BXUZGUMPSA-N 1 1 345.403 0.019 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC000969252224 731646209 /nfs/dbraw/zinc/64/62/09/731646209.db2.gz PDCVSSUKUNGSDK-CZUORRHYSA-N 1 1 344.415 0.157 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccnn3C)C2)C1=O ZINC000969388137 731788379 /nfs/dbraw/zinc/78/83/79/731788379.db2.gz CJAXULNZEUQAQA-IUODEOHRSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)C3=COCCC3)C2)C1=O ZINC000969395325 731796364 /nfs/dbraw/zinc/79/63/64/731796364.db2.gz HWDNFAJECDDAHY-CJNGLKHVSA-N 1 1 333.432 0.904 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3nccn3CC)C2)C1=O ZINC000969578172 731984048 /nfs/dbraw/zinc/98/40/48/731984048.db2.gz HSCUPIQTHUOAFA-UKRRQHHQSA-N 1 1 345.447 0.740 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000969587102 731986869 /nfs/dbraw/zinc/98/68/69/731986869.db2.gz QVXRHSYWZYSGJN-LLVKDONJSA-N 1 1 344.419 0.972 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041810665 782248673 /nfs/dbraw/zinc/24/86/73/782248673.db2.gz HQOYZYGYOXHSKY-FUHWJXTLSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([NH+]2CCN(c3ncccn3)CC2)C1 ZINC001111965214 738566231 /nfs/dbraw/zinc/56/62/31/738566231.db2.gz VBEGCSSXCBXEHF-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4ncn(C)c4n3)[C@H]2C1 ZINC001083191557 732088636 /nfs/dbraw/zinc/08/86/36/732088636.db2.gz DVLPYDIWWMKXIE-JKSUJKDBSA-N 1 1 339.399 0.517 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4ncn(C)c4n3)[C@H]2C1 ZINC001083191557 732088639 /nfs/dbraw/zinc/08/86/39/732088639.db2.gz DVLPYDIWWMKXIE-JKSUJKDBSA-N 1 1 339.399 0.517 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCn1cncn1 ZINC001087356958 738576355 /nfs/dbraw/zinc/57/63/55/738576355.db2.gz IUTMAMQEMPNZFJ-MHORFTMASA-N 1 1 339.443 0.860 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)c1 ZINC000969888328 732484669 /nfs/dbraw/zinc/48/46/69/732484669.db2.gz MENPGEGIJNPBPX-OAHLLOKOSA-N 1 1 339.403 0.635 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(CC)n2C)C1 ZINC000970014220 732626264 /nfs/dbraw/zinc/62/62/64/732626264.db2.gz DXBNKTNXYNOLKI-MCIONIFRSA-N 1 1 333.436 0.659 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000970016771 732627303 /nfs/dbraw/zinc/62/73/03/732627303.db2.gz GVAVGWMDELNZRA-BNOWGMLFSA-N 1 1 332.408 0.290 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2sccc2-n2cnnn2)C1 ZINC000970046959 732675120 /nfs/dbraw/zinc/67/51/20/732675120.db2.gz DUTFCWRNAQHKGA-NSHDSACASA-N 1 1 330.417 0.797 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001041826877 782282499 /nfs/dbraw/zinc/28/24/99/782282499.db2.gz GMUNLFRJJMVTTI-SFHVURJKSA-N 1 1 346.431 0.990 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)CN3CCOCC3)C2)C1 ZINC001041834994 782308042 /nfs/dbraw/zinc/30/80/42/782308042.db2.gz PBHAQBPICUBVEY-MJGOQNOKSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)CN3CCOCC3)C2)C1 ZINC001041834994 782308053 /nfs/dbraw/zinc/30/80/53/782308053.db2.gz PBHAQBPICUBVEY-MJGOQNOKSA-N 1 1 333.476 0.902 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nncn3C)C2)nn1 ZINC000970204579 733197918 /nfs/dbraw/zinc/19/79/18/733197918.db2.gz TYZCDYJGEVPZCD-VXGBXAGGSA-N 1 1 330.396 0.158 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(OC)no3)C2)nn1 ZINC000970224000 733235362 /nfs/dbraw/zinc/23/53/62/733235362.db2.gz IUFHXRQPVDUHJY-GFCCVEGCSA-N 1 1 346.391 0.855 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970268730 733282194 /nfs/dbraw/zinc/28/21/94/733282194.db2.gz OHMWHPQXMMMPDJ-BLLLJJGKSA-N 1 1 326.400 0.631 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3c(C)cnn3C)C2)C1=O ZINC000970296317 733328075 /nfs/dbraw/zinc/32/80/75/733328075.db2.gz RYPVNRBQTXOSOQ-DZGCQCFKSA-N 1 1 345.447 0.566 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2O)CC1 ZINC000970335019 733378891 /nfs/dbraw/zinc/37/88/91/733378891.db2.gz DKOVQUMJAAFZBM-OAGGEKHMSA-N 1 1 335.448 0.372 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H](O)C1 ZINC000970377488 733448485 /nfs/dbraw/zinc/44/84/85/733448485.db2.gz JIBYFYBSVDKJBY-PMPSAXMXSA-N 1 1 345.443 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H](O)C1 ZINC000970377488 733448488 /nfs/dbraw/zinc/44/84/88/733448488.db2.gz JIBYFYBSVDKJBY-PMPSAXMXSA-N 1 1 345.443 0.128 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001078134783 782352784 /nfs/dbraw/zinc/35/27/84/782352784.db2.gz ITCYQTJPWKOPQR-STQMWFEESA-N 1 1 331.420 0.933 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(N)=O)C2)cc1 ZINC000970538066 733656624 /nfs/dbraw/zinc/65/66/24/733656624.db2.gz KKDBVEUYOWBHHQ-QWHCGFSZSA-N 1 1 329.400 0.623 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000973103173 738742169 /nfs/dbraw/zinc/74/21/69/738742169.db2.gz CWEPQEQXBORLFD-IIAWOOMASA-N 1 1 326.400 0.534 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970762890 733920172 /nfs/dbraw/zinc/92/01/72/733920172.db2.gz HNOVXIKIKYMKOP-YOEHRIQHSA-N 1 1 325.412 0.753 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC000970765517 733922940 /nfs/dbraw/zinc/92/29/40/733922940.db2.gz DIVSBDKFMRXKGB-STQMWFEESA-N 1 1 340.427 0.780 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125419391 733974504 /nfs/dbraw/zinc/97/45/04/733974504.db2.gz AWZIMAXVAIRLMY-ZDUSSCGKSA-N 1 1 336.440 0.256 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC000970819473 733983211 /nfs/dbraw/zinc/98/32/11/733983211.db2.gz BUVACIQBIWTXDT-IUODEOHRSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccn(C)n3)C2)C1=O ZINC000970882097 734039585 /nfs/dbraw/zinc/03/95/85/734039585.db2.gz DPNRQESOZAXUDU-SWLSCSKDSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)C3CCOCC3)C2)C1=O ZINC000970954307 734118708 /nfs/dbraw/zinc/11/87/08/734118708.db2.gz LNZLUQMIEZODFW-HZPDHXFCSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3nonc3C)C2)C1=O ZINC000970976599 734139607 /nfs/dbraw/zinc/13/96/07/734139607.db2.gz VJMWFGMURRQRCY-ZWNOBZJWSA-N 1 1 333.392 0.215 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CNc3ccc(C#N)cn3)CC2)C1 ZINC001067476763 734194133 /nfs/dbraw/zinc/19/41/33/734194133.db2.gz DYYAAUVLDGTZNQ-HNNXBMFYSA-N 1 1 343.431 0.670 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971043294 734203729 /nfs/dbraw/zinc/20/37/29/734203729.db2.gz BBIJAGYPDXJPAC-OAHLLOKOSA-N 1 1 325.376 0.278 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971043294 734203734 /nfs/dbraw/zinc/20/37/34/734203734.db2.gz BBIJAGYPDXJPAC-OAHLLOKOSA-N 1 1 325.376 0.278 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001078161077 782405435 /nfs/dbraw/zinc/40/54/35/782405435.db2.gz CNTAGRJARXDUDO-HUUCEWRRSA-N 1 1 334.420 0.394 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CCO1 ZINC001104317369 734262500 /nfs/dbraw/zinc/26/25/00/734262500.db2.gz VRUAPYRXHZWCDU-PBHICJAKSA-N 1 1 334.420 0.742 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(c3ncccc3C#N)CCO2)C1 ZINC001104321383 734295801 /nfs/dbraw/zinc/29/58/01/734295801.db2.gz CWUVBXACWFNMBR-GOEBONIOSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cnns3)C2)C1=O ZINC000971147922 734319410 /nfs/dbraw/zinc/31/94/10/734319410.db2.gz WOXZDDZQZAEPND-NEPJUHHUSA-N 1 1 335.433 0.471 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3nnn(C)c3C)C2)C1=O ZINC000971259928 734404239 /nfs/dbraw/zinc/40/42/39/734404239.db2.gz NPMQPLBACISSHJ-ZIAGYGMSSA-N 1 1 346.435 0.057 20 30 ECEDMO CN1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)C1 ZINC000971272701 734415367 /nfs/dbraw/zinc/41/53/67/734415367.db2.gz YOEOLNJANZUDAI-QZTJIDSGSA-N 1 1 342.443 0.922 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 ZINC001104337795 734435244 /nfs/dbraw/zinc/43/52/44/734435244.db2.gz GTUJQSARKZJYBK-CYBMUJFWSA-N 1 1 346.435 0.400 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3nc(C4CC4)no3)[C@H]2C1 ZINC001083216213 734457808 /nfs/dbraw/zinc/45/78/08/734457808.db2.gz NQWVXKOUZSLWAP-UONOGXRCSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3nc(C4CC4)no3)[C@H]2C1 ZINC001083216213 734457811 /nfs/dbraw/zinc/45/78/11/734457811.db2.gz NQWVXKOUZSLWAP-UONOGXRCSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC(C)CC3)[C@H]2C1 ZINC001083216194 734459717 /nfs/dbraw/zinc/45/97/17/734459717.db2.gz MBXLOSFCCITTAV-JKSUJKDBSA-N 1 1 335.448 0.733 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000971357729 734471282 /nfs/dbraw/zinc/47/12/82/734471282.db2.gz VIBWWKMXNDLRCX-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000971357729 734471285 /nfs/dbraw/zinc/47/12/85/734471285.db2.gz VIBWWKMXNDLRCX-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971373769 734482013 /nfs/dbraw/zinc/48/20/13/734482013.db2.gz LZLUJZJSWHENKI-LLVKDONJSA-N 1 1 346.416 0.650 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973151797 738831921 /nfs/dbraw/zinc/83/19/21/738831921.db2.gz XDDIVTRVLIULBV-UMVBOHGHSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3ccn(C)n3)C2)C1=O ZINC000971528074 734714567 /nfs/dbraw/zinc/71/45/67/734714567.db2.gz HKTMTPXAHFOPKD-HOTGVXAUSA-N 1 1 345.447 0.282 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069986853 790281164 /nfs/dbraw/zinc/28/11/64/790281164.db2.gz GMDBZOIDIQQTNY-KQTLUZQSSA-N 1 1 341.419 0.343 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cncc(F)c2)C1 ZINC000973162294 738845039 /nfs/dbraw/zinc/84/50/39/738845039.db2.gz WTZOXRKLTPEAHJ-JYJNAYRXSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cncc(F)c2)C1 ZINC000973162294 738845041 /nfs/dbraw/zinc/84/50/41/738845041.db2.gz WTZOXRKLTPEAHJ-JYJNAYRXSA-N 1 1 344.390 0.695 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069986853 790281170 /nfs/dbraw/zinc/28/11/70/790281170.db2.gz GMDBZOIDIQQTNY-KQTLUZQSSA-N 1 1 341.419 0.343 20 30 ECEDMO CC(C)N(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125527775 734798367 /nfs/dbraw/zinc/79/83/67/734798367.db2.gz MTNFMAXQHXPOHC-CQSZACIVSA-N 1 1 330.436 0.973 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)s3)[C@H]2C1 ZINC001083223101 734881898 /nfs/dbraw/zinc/88/18/98/734881898.db2.gz DMZGECVZXZPUIC-NWDGAFQWSA-N 1 1 335.429 0.948 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078183563 782448031 /nfs/dbraw/zinc/44/80/31/782448031.db2.gz YEAVNIZLFMJVLB-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000971704627 734965970 /nfs/dbraw/zinc/96/59/70/734965970.db2.gz VQCQBGCYQUZKDH-HOTGVXAUSA-N 1 1 327.432 0.607 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000971704627 734965973 /nfs/dbraw/zinc/96/59/73/734965973.db2.gz VQCQBGCYQUZKDH-HOTGVXAUSA-N 1 1 327.432 0.607 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C(C)(C)C)c2CC)C1 ZINC001078189291 782461823 /nfs/dbraw/zinc/46/18/23/782461823.db2.gz JBZYUDCGUWMNCO-GDBMZVCRSA-N 1 1 332.448 0.999 20 30 ECEDMO C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)Cn2cncn2)CC1 ZINC001098555975 735012545 /nfs/dbraw/zinc/01/25/45/735012545.db2.gz YNOOUGVXKNAKII-UHFFFAOYSA-N 1 1 327.816 0.316 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)C1=O ZINC000971755591 735028758 /nfs/dbraw/zinc/02/87/58/735028758.db2.gz BJTIJSXUSXCIDM-JSGCOSHPSA-N 1 1 345.403 0.115 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CC)n3)[C@H]2C1 ZINC001083226272 735130290 /nfs/dbraw/zinc/13/02/90/735130290.db2.gz VSNRWPJQLSTFOP-JKSUJKDBSA-N 1 1 346.431 0.755 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000987931324 751349387 /nfs/dbraw/zinc/34/93/87/751349387.db2.gz NYVQZSMXXTWJFS-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000987931324 751349391 /nfs/dbraw/zinc/34/93/91/751349391.db2.gz NYVQZSMXXTWJFS-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO CN1C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)NC1=O ZINC000972084491 735625644 /nfs/dbraw/zinc/62/56/44/735625644.db2.gz CQNVOOLUOZDNME-JKSUJKDBSA-N 1 1 341.415 0.615 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC4CC4)c3)[C@H]2C1 ZINC001083242389 735659068 /nfs/dbraw/zinc/65/90/68/735659068.db2.gz FLFAWJYSAMQMTL-DLBZAZTESA-N 1 1 328.416 0.842 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC4CC4)c3)[C@H]2C1 ZINC001083242389 735659074 /nfs/dbraw/zinc/65/90/74/735659074.db2.gz FLFAWJYSAMQMTL-DLBZAZTESA-N 1 1 328.416 0.842 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)CC1 ZINC001098566667 735852325 /nfs/dbraw/zinc/85/23/25/735852325.db2.gz HVMVQQNWUBKDHM-KRWDZBQOSA-N 1 1 349.475 0.552 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC001098566709 735855517 /nfs/dbraw/zinc/85/55/17/735855517.db2.gz JRTWOXVXZJFXJW-OAHLLOKOSA-N 1 1 344.459 0.823 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(C)c2C)C1 ZINC001111588023 735866596 /nfs/dbraw/zinc/86/65/96/735866596.db2.gz UTXSFPNECNJYNV-YJBOKZPZSA-N 1 1 330.432 0.963 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2noc3c2COCC3)CC1 ZINC001098566949 735867495 /nfs/dbraw/zinc/86/74/95/735867495.db2.gz WQARRRZCKLUDNO-UHFFFAOYSA-N 1 1 333.388 0.279 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)Cc2nc(C3CC3)nn2C)CC1 ZINC001098566973 735868169 /nfs/dbraw/zinc/86/81/69/735868169.db2.gz XWISQEVPNQDCHQ-UHFFFAOYSA-N 1 1 345.447 0.154 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)N3CCCC3=O)[C@H]2C1 ZINC001083246465 735894968 /nfs/dbraw/zinc/89/49/68/735894968.db2.gz SDZXTDCNJKLCSD-HRCADAONSA-N 1 1 335.448 0.875 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)c1 ZINC000972292552 735900277 /nfs/dbraw/zinc/90/02/77/735900277.db2.gz SFIFSEVNWMJFQX-JKSUJKDBSA-N 1 1 326.400 0.440 20 30 ECEDMO C=C(Cl)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972317447 735937328 /nfs/dbraw/zinc/93/73/28/735937328.db2.gz VPNMVQFBRWLFJU-HOCLYGCPSA-N 1 1 343.855 0.373 20 30 ECEDMO C=C(Cl)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972317447 735937331 /nfs/dbraw/zinc/93/73/31/735937331.db2.gz VPNMVQFBRWLFJU-HOCLYGCPSA-N 1 1 343.855 0.373 20 30 ECEDMO CO[C@H](C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972350884 735988377 /nfs/dbraw/zinc/98/83/77/735988377.db2.gz AWSPRHSRQSKIPR-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO CO[C@H](C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972350884 735988378 /nfs/dbraw/zinc/98/83/78/735988378.db2.gz AWSPRHSRQSKIPR-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001041963584 782503690 /nfs/dbraw/zinc/50/36/90/782503690.db2.gz UKBKPTFGNPKKIT-AWEZNQCLSA-N 1 1 346.431 0.410 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCc3sccc3C2)C1 ZINC001078219613 782510369 /nfs/dbraw/zinc/51/03/69/782510369.db2.gz IDGWGJVKWOIZIZ-HUUCEWRRSA-N 1 1 333.457 0.291 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCc3sccc3C2)C1 ZINC001078219613 782510378 /nfs/dbraw/zinc/51/03/78/782510378.db2.gz IDGWGJVKWOIZIZ-HUUCEWRRSA-N 1 1 333.457 0.291 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001078219605 782511018 /nfs/dbraw/zinc/51/10/18/782511018.db2.gz HZJORVNLVVYUCU-BZUAXINKSA-N 1 1 335.448 0.352 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001078219605 782511024 /nfs/dbraw/zinc/51/10/24/782511024.db2.gz HZJORVNLVVYUCU-BZUAXINKSA-N 1 1 335.448 0.352 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 ZINC000972405393 736130234 /nfs/dbraw/zinc/13/02/34/736130234.db2.gz OWLZGLJOJLDZJV-SFHVURJKSA-N 1 1 328.416 0.770 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 ZINC000972405393 736130238 /nfs/dbraw/zinc/13/02/38/736130238.db2.gz OWLZGLJOJLDZJV-SFHVURJKSA-N 1 1 328.416 0.770 20 30 ECEDMO C=CCN1CCO[C@]2(CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000972409064 736141425 /nfs/dbraw/zinc/14/14/25/736141425.db2.gz NXIUHXDCLZDIBI-SJLPKXTDSA-N 1 1 347.463 0.303 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972409422 736142099 /nfs/dbraw/zinc/14/20/99/736142099.db2.gz OIAGIOLHDLWRGD-SFHVURJKSA-N 1 1 333.432 0.973 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972409422 736142102 /nfs/dbraw/zinc/14/21/02/736142102.db2.gz OIAGIOLHDLWRGD-SFHVURJKSA-N 1 1 333.432 0.973 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)CCO2 ZINC000972416568 736154669 /nfs/dbraw/zinc/15/46/69/736154669.db2.gz JVQHDLSSOUOZHY-HKUYNNGSSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3cc(C)on3)C2)C1 ZINC000972421086 736164566 /nfs/dbraw/zinc/16/45/66/736164566.db2.gz DLYWPLVBFXXXCO-KRWDZBQOSA-N 1 1 333.388 0.688 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3cc(C)on3)C2)C1 ZINC000972421086 736164569 /nfs/dbraw/zinc/16/45/69/736164569.db2.gz DLYWPLVBFXXXCO-KRWDZBQOSA-N 1 1 333.388 0.688 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n[nH]cc4c3)C2)C1 ZINC000972427990 736173981 /nfs/dbraw/zinc/17/39/81/736173981.db2.gz DKPIIILFQRZLKS-GOSISDBHSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n[nH]cc4c3)C2)C1 ZINC000972427990 736173983 /nfs/dbraw/zinc/17/39/83/736173983.db2.gz DKPIIILFQRZLKS-GOSISDBHSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428882 736177937 /nfs/dbraw/zinc/17/79/37/736177937.db2.gz QGZHEALTPXYRBB-GOSISDBHSA-N 1 1 344.415 0.327 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428882 736177940 /nfs/dbraw/zinc/17/79/40/736177940.db2.gz QGZHEALTPXYRBB-GOSISDBHSA-N 1 1 344.415 0.327 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001114949110 736179225 /nfs/dbraw/zinc/17/92/25/736179225.db2.gz JJJRFSCXUWDGLD-DTJSUFBGSA-N 1 1 347.459 0.706 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001114949110 736179230 /nfs/dbraw/zinc/17/92/30/736179230.db2.gz JJJRFSCXUWDGLD-DTJSUFBGSA-N 1 1 347.459 0.706 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 ZINC000972446327 736218017 /nfs/dbraw/zinc/21/80/17/736218017.db2.gz KBIPUTJYYONIAU-GOSISDBHSA-N 1 1 335.448 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 ZINC000972446327 736218019 /nfs/dbraw/zinc/21/80/19/736218019.db2.gz KBIPUTJYYONIAU-GOSISDBHSA-N 1 1 335.448 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(CC)nn3C)C2)C1 ZINC000972474119 736291904 /nfs/dbraw/zinc/29/19/04/736291904.db2.gz IARNQXZUWNJBFZ-LJQANCHMSA-N 1 1 344.459 0.852 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(CC)nn3C)C2)C1 ZINC000972474119 736291906 /nfs/dbraw/zinc/29/19/06/736291906.db2.gz IARNQXZUWNJBFZ-LJQANCHMSA-N 1 1 344.459 0.852 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972481072 736310109 /nfs/dbraw/zinc/31/01/09/736310109.db2.gz XLHQVRUSONZOJD-YJBOKZPZSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972481072 736310110 /nfs/dbraw/zinc/31/01/10/736310110.db2.gz XLHQVRUSONZOJD-YJBOKZPZSA-N 1 1 333.432 0.229 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972501693 736431021 /nfs/dbraw/zinc/43/10/21/736431021.db2.gz IEJUGXUGJVMAOE-YJBOKZPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCCN(C)C3=O)C2)nn1 ZINC000972507593 736463533 /nfs/dbraw/zinc/46/35/33/736463533.db2.gz ZVBCWATXYSGCHH-UKRRQHHQSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3nccnc3C)C2)nn1 ZINC000972507538 736463579 /nfs/dbraw/zinc/46/35/79/736463579.db2.gz XNYXUJJURIUVAN-CQSZACIVSA-N 1 1 341.419 0.909 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nccnc3C)C2)nn1 ZINC000972507538 736463583 /nfs/dbraw/zinc/46/35/83/736463583.db2.gz XNYXUJJURIUVAN-CQSZACIVSA-N 1 1 341.419 0.909 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nc[nH]c3=O)C2)C1 ZINC000972510877 736491270 /nfs/dbraw/zinc/49/12/70/736491270.db2.gz FTRQUVSAKGJDRH-KRWDZBQOSA-N 1 1 332.404 0.984 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)COCCOCC)CC1 ZINC001098575341 736497002 /nfs/dbraw/zinc/49/70/02/736497002.db2.gz LIAFXVBNTGJFIA-UHFFFAOYSA-N 1 1 326.437 0.348 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)nn1 ZINC000972518323 736536673 /nfs/dbraw/zinc/53/66/73/736536673.db2.gz TVYUMSNREROSBW-HIFRSBDPSA-N 1 1 346.435 0.231 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001023296436 736656053 /nfs/dbraw/zinc/65/60/53/736656053.db2.gz XDOKRBCXSRFZNA-GFCCVEGCSA-N 1 1 329.404 0.607 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCO[C@@H]2C[N@H+](CCOC)C[C@@H]21 ZINC001083259887 736657807 /nfs/dbraw/zinc/65/78/07/736657807.db2.gz XGCNPWZIZYXLJP-ZWKOTPCHSA-N 1 1 328.412 0.768 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccnc(OC)c3)C2)C1 ZINC000972551833 736701591 /nfs/dbraw/zinc/70/15/91/736701591.db2.gz HLXKQPZKTDUVCN-IBGZPJMESA-N 1 1 343.427 0.959 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccnc(OC)c3)C2)C1 ZINC000972551833 736701594 /nfs/dbraw/zinc/70/15/94/736701594.db2.gz HLXKQPZKTDUVCN-IBGZPJMESA-N 1 1 343.427 0.959 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001023344319 736716763 /nfs/dbraw/zinc/71/67/63/736716763.db2.gz LVNUCDNCLSRVKM-HZPDHXFCSA-N 1 1 342.399 0.995 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001023400416 736777324 /nfs/dbraw/zinc/77/73/24/736777324.db2.gz LYLVQNRLWKPFMT-AWEZNQCLSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@H](C)OC)C1 ZINC001059846944 751376602 /nfs/dbraw/zinc/37/66/02/751376602.db2.gz IOXHOTOUVDYQPP-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@H](C)OC)C1 ZINC001059846944 751376606 /nfs/dbraw/zinc/37/66/06/751376606.db2.gz IOXHOTOUVDYQPP-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cnon2)C1 ZINC001023423684 736806118 /nfs/dbraw/zinc/80/61/18/736806118.db2.gz CVEPXGOLOPQEFJ-ZBFHGGJFSA-N 1 1 331.420 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cnon2)C1 ZINC001023423684 736806121 /nfs/dbraw/zinc/80/61/21/736806121.db2.gz CVEPXGOLOPQEFJ-ZBFHGGJFSA-N 1 1 331.420 0.495 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cnn(C)n2)C1 ZINC001023424460 736813303 /nfs/dbraw/zinc/81/33/03/736813303.db2.gz YYEPZLPSVMWTPM-RDJZCZTQSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cnn(C)n2)C1 ZINC001023424460 736813304 /nfs/dbraw/zinc/81/33/04/736813304.db2.gz YYEPZLPSVMWTPM-RDJZCZTQSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(COC)on3)C2)C1 ZINC000972585100 736960960 /nfs/dbraw/zinc/96/09/60/736960960.db2.gz HNFFXRBAQPKNOP-KRWDZBQOSA-N 1 1 333.388 0.761 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(COC)on3)C2)C1 ZINC000972585100 736960964 /nfs/dbraw/zinc/96/09/64/736960964.db2.gz HNFFXRBAQPKNOP-KRWDZBQOSA-N 1 1 333.388 0.761 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 ZINC000972598049 737041260 /nfs/dbraw/zinc/04/12/60/737041260.db2.gz ZCPBABWPUFHFAP-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 ZINC000972598049 737041262 /nfs/dbraw/zinc/04/12/62/737041262.db2.gz ZCPBABWPUFHFAP-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCN3CCOCC3)C2)C1 ZINC000972599462 737056627 /nfs/dbraw/zinc/05/66/27/737056627.db2.gz QOKOGGPNUGZECP-GOSISDBHSA-N 1 1 335.448 0.035 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCN3CCOCC3)C2)C1 ZINC000972599462 737056629 /nfs/dbraw/zinc/05/66/29/737056629.db2.gz QOKOGGPNUGZECP-GOSISDBHSA-N 1 1 335.448 0.035 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972601457 737061422 /nfs/dbraw/zinc/06/14/22/737061422.db2.gz IPYCCYBFUADYAM-GOSISDBHSA-N 1 1 346.431 0.756 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972601457 737061427 /nfs/dbraw/zinc/06/14/27/737061427.db2.gz IPYCCYBFUADYAM-GOSISDBHSA-N 1 1 346.431 0.756 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001023605865 737068417 /nfs/dbraw/zinc/06/84/17/737068417.db2.gz LNMMRSDXIAHOKE-GJZGRUSLSA-N 1 1 330.436 0.477 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001023626487 737111235 /nfs/dbraw/zinc/11/12/35/737111235.db2.gz ADNDLYSDTRJGHK-CABCVRRESA-N 1 1 326.462 0.663 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001023626487 737111237 /nfs/dbraw/zinc/11/12/37/737111237.db2.gz ADNDLYSDTRJGHK-CABCVRRESA-N 1 1 326.462 0.663 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001023637989 737125337 /nfs/dbraw/zinc/12/53/37/737125337.db2.gz WEPDDQWAJRZBDZ-QWHCGFSZSA-N 1 1 334.424 0.040 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](CCCO)CCO3)cn1 ZINC000972642229 737214371 /nfs/dbraw/zinc/21/43/71/737214371.db2.gz FFTFTXWJZBXXLN-GOSISDBHSA-N 1 1 329.400 0.362 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCCO)CCO3)cn1 ZINC000972642229 737214375 /nfs/dbraw/zinc/21/43/75/737214375.db2.gz FFTFTXWJZBXXLN-GOSISDBHSA-N 1 1 329.400 0.362 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001023699621 737218271 /nfs/dbraw/zinc/21/82/71/737218271.db2.gz GHMJLRLOPBTQBS-NSHDSACASA-N 1 1 334.376 0.362 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CCS(C)(=O)=O)C2)nc1 ZINC001023708325 737226542 /nfs/dbraw/zinc/22/65/42/737226542.db2.gz BETKGLZMJTUIPG-HNNXBMFYSA-N 1 1 349.456 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CCS(C)(=O)=O)C2)nc1 ZINC001023708325 737226548 /nfs/dbraw/zinc/22/65/48/737226548.db2.gz BETKGLZMJTUIPG-HNNXBMFYSA-N 1 1 349.456 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)nc1 ZINC001023708974 737227429 /nfs/dbraw/zinc/22/74/29/737227429.db2.gz NTBDGTRTQRUPHL-NVXWUHKLSA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC001023709822 737228341 /nfs/dbraw/zinc/22/83/41/737228341.db2.gz CJGPSTOYSNGENW-CABCVRRESA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@]2(C1)C[N@H+](C[C@H](C)O)CCO2 ZINC000972653709 737260772 /nfs/dbraw/zinc/26/07/72/737260772.db2.gz KISLJVSVHNFTPD-OXJNMPFZSA-N 1 1 342.439 0.895 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@]2(C1)C[N@@H+](C[C@H](C)O)CCO2 ZINC000972653709 737260775 /nfs/dbraw/zinc/26/07/75/737260775.db2.gz KISLJVSVHNFTPD-OXJNMPFZSA-N 1 1 342.439 0.895 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972661209 737277183 /nfs/dbraw/zinc/27/71/83/737277183.db2.gz ZRLXKUSPLHWULN-CRAIPNDOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972661209 737277186 /nfs/dbraw/zinc/27/71/86/737277186.db2.gz ZRLXKUSPLHWULN-CRAIPNDOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972673432 737342298 /nfs/dbraw/zinc/34/22/98/737342298.db2.gz IJRJECVMBZMFRU-QGZVFWFLSA-N 1 1 332.404 0.607 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972673432 737342301 /nfs/dbraw/zinc/34/23/01/737342301.db2.gz IJRJECVMBZMFRU-QGZVFWFLSA-N 1 1 332.404 0.607 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689671 737387905 /nfs/dbraw/zinc/38/79/05/737387905.db2.gz YUTXZRJWYYBVFN-QAPCUYQASA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689671 737387911 /nfs/dbraw/zinc/38/79/11/737387911.db2.gz YUTXZRJWYYBVFN-QAPCUYQASA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccn[nH]3)C(C)(C)C2)C1=O ZINC000972825438 737752682 /nfs/dbraw/zinc/75/26/82/737752682.db2.gz OPFCTVMOJCCLBX-UONOGXRCSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccn[nH]3)C(C)(C)C2)C1=O ZINC000972825438 737752685 /nfs/dbraw/zinc/75/26/85/737752685.db2.gz OPFCTVMOJCCLBX-UONOGXRCSA-N 1 1 331.420 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000972834894 737759171 /nfs/dbraw/zinc/75/91/71/737759171.db2.gz HVTWIZOWTHGACC-FGTMMUONSA-N 1 1 339.439 0.557 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000972834894 737759172 /nfs/dbraw/zinc/75/91/72/737759172.db2.gz HVTWIZOWTHGACC-FGTMMUONSA-N 1 1 339.439 0.557 20 30 ECEDMO C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001039727155 737884690 /nfs/dbraw/zinc/88/46/90/737884690.db2.gz YACXNQVJNYGACW-CRAIPNDOSA-N 1 1 337.464 0.905 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NC2CC2)c1 ZINC001024379937 737936130 /nfs/dbraw/zinc/93/61/30/737936130.db2.gz DRLGVKDKEJLOSH-AWEZNQCLSA-N 1 1 329.404 0.749 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NC2CC2)c1 ZINC001024379937 737936132 /nfs/dbraw/zinc/93/61/32/737936132.db2.gz DRLGVKDKEJLOSH-AWEZNQCLSA-N 1 1 329.404 0.749 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001024394959 737938247 /nfs/dbraw/zinc/93/82/47/737938247.db2.gz ONJALEUHVVJNJP-GOEBONIOSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001024394959 737938251 /nfs/dbraw/zinc/93/82/51/737938251.db2.gz ONJALEUHVVJNJP-GOEBONIOSA-N 1 1 345.447 0.791 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NC2CC2)c[nH]1 ZINC001024399164 737940419 /nfs/dbraw/zinc/94/04/19/737940419.db2.gz DWENPSWANVYVDT-OAHLLOKOSA-N 1 1 329.404 0.749 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NC2CC2)c[nH]1 ZINC001024399164 737940421 /nfs/dbraw/zinc/94/04/21/737940421.db2.gz DWENPSWANVYVDT-OAHLLOKOSA-N 1 1 329.404 0.749 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ncc[nH]2)C1=O ZINC001024432035 737968075 /nfs/dbraw/zinc/96/80/75/737968075.db2.gz RLQJKYOXUPIGEV-KBPBESRZSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ncc[nH]2)C1=O ZINC001024432035 737968078 /nfs/dbraw/zinc/96/80/78/737968078.db2.gz RLQJKYOXUPIGEV-KBPBESRZSA-N 1 1 331.420 0.781 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001024469021 737996587 /nfs/dbraw/zinc/99/65/87/737996587.db2.gz TWJGTVVSLXDUOE-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1nc(C)no1 ZINC001024488097 738015256 /nfs/dbraw/zinc/01/52/56/738015256.db2.gz VINNJCUGMYSXKA-CVEARBPZSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1nc(C)no1 ZINC001024488097 738015260 /nfs/dbraw/zinc/01/52/60/738015260.db2.gz VINNJCUGMYSXKA-CVEARBPZSA-N 1 1 345.447 0.946 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039761096 738044869 /nfs/dbraw/zinc/04/48/69/738044869.db2.gz YSZTWCJPFCWTOI-KDOFPFPSSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(C)n3)[C@H]2C1 ZINC001083267326 738073721 /nfs/dbraw/zinc/07/37/21/738073721.db2.gz VHKWSKLTFVDVRI-LSDHHAIUSA-N 1 1 332.404 0.272 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001024537436 738077097 /nfs/dbraw/zinc/07/70/97/738077097.db2.gz FXFOZWVKQHUJOR-GFCCVEGCSA-N 1 1 330.413 0.974 20 30 ECEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001024575396 738123987 /nfs/dbraw/zinc/12/39/87/738123987.db2.gz JJEBSKLJSIBVJT-ZDUSSCGKSA-N 1 1 327.392 0.828 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C(C)(C)[C@H]21 ZINC001087294123 738135531 /nfs/dbraw/zinc/13/55/31/738135531.db2.gz OFDKXMDYYGPJTR-WQVCFCJDSA-N 1 1 344.415 0.187 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CCC3=O)[C@H]2C1 ZINC001083269662 738162650 /nfs/dbraw/zinc/16/26/50/738162650.db2.gz OPIAYNVSSSWFFZ-UONOGXRCSA-N 1 1 335.404 0.013 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CNC(N)=O)cc3)[C@H]2C1 ZINC001083270582 738186443 /nfs/dbraw/zinc/18/64/43/738186443.db2.gz NWZYWYNHDGYTDJ-JKSUJKDBSA-N 1 1 344.415 0.566 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CNC(N)=O)cc3)[C@H]2C1 ZINC001083270582 738186447 /nfs/dbraw/zinc/18/64/47/738186447.db2.gz NWZYWYNHDGYTDJ-JKSUJKDBSA-N 1 1 344.415 0.566 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCCC[N@H+]2CCn2cncn2)c1 ZINC001024644673 738197587 /nfs/dbraw/zinc/19/75/87/738197587.db2.gz VAWGNYKFVBLCRO-QGZVFWFLSA-N 1 1 338.415 0.939 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@H]21 ZINC001087317168 738282779 /nfs/dbraw/zinc/28/27/79/738282779.db2.gz DPJKXKHVBCPHFX-WQVCFCJDSA-N 1 1 348.447 0.720 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CCC3=O)C(C)(C)[C@@H]21 ZINC001087318114 738289466 /nfs/dbraw/zinc/28/94/66/738289466.db2.gz RDEPAVQZRCJBJF-CSMYWGQOSA-N 1 1 333.432 0.927 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)Nc3ccc(C)cc3)[C@H]2C1 ZINC001083272612 738310675 /nfs/dbraw/zinc/31/06/75/738310675.db2.gz XJQISRMFUQQEHI-DLBZAZTESA-N 1 1 341.411 0.868 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)Nc3ccc(C)cc3)[C@H]2C1 ZINC001083272612 738310677 /nfs/dbraw/zinc/31/06/77/738310677.db2.gz XJQISRMFUQQEHI-DLBZAZTESA-N 1 1 341.411 0.868 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001025243675 738908631 /nfs/dbraw/zinc/90/86/31/738908631.db2.gz DIPOXGQZAWVHRC-CVEARBPZSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001025243675 738908633 /nfs/dbraw/zinc/90/86/33/738908633.db2.gz DIPOXGQZAWVHRC-CVEARBPZSA-N 1 1 338.473 0.900 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025280393 739003021 /nfs/dbraw/zinc/00/30/21/739003021.db2.gz OHXYKTQZYVQIDR-CABCVRRESA-N 1 1 348.447 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CCC1=O ZINC001025298324 739019566 /nfs/dbraw/zinc/01/95/66/739019566.db2.gz WESMEJYHUAPAPS-CABCVRRESA-N 1 1 331.416 0.614 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000973290262 739040432 /nfs/dbraw/zinc/04/04/32/739040432.db2.gz PXTPDBRFUKUARY-FVQBIDKESA-N 1 1 326.400 0.392 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000973295458 739059818 /nfs/dbraw/zinc/05/98/18/739059818.db2.gz LXULVWVTMGBVPO-ULQDDVLXSA-N 1 1 346.475 0.047 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N(C)C2CC2)CC1 ZINC000981989811 751422571 /nfs/dbraw/zinc/42/25/71/751422571.db2.gz IJRYNFVUEBRISD-CVEARBPZSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N(C)C2CC2)CC1 ZINC000981989811 751422573 /nfs/dbraw/zinc/42/25/73/751422573.db2.gz IJRYNFVUEBRISD-CVEARBPZSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cnoc2)C1 ZINC000973410760 739223695 /nfs/dbraw/zinc/22/36/95/739223695.db2.gz NSNNGQFSTFRLCE-KKUMJFAQSA-N 1 1 330.388 0.078 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cnoc2)C1 ZINC000973410760 739223699 /nfs/dbraw/zinc/22/36/99/739223699.db2.gz NSNNGQFSTFRLCE-KKUMJFAQSA-N 1 1 330.388 0.078 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nccs2)C1 ZINC000973410763 739223706 /nfs/dbraw/zinc/22/37/06/739223706.db2.gz NYGKPWDZCIUPBS-AVGNSLFASA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nccs2)C1 ZINC000973410763 739223710 /nfs/dbraw/zinc/22/37/10/739223710.db2.gz NYGKPWDZCIUPBS-AVGNSLFASA-N 1 1 332.429 0.618 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3cnn(CC)c3)C2)nn1 ZINC001105359498 751425503 /nfs/dbraw/zinc/42/55/03/751425503.db2.gz KQHBDBAHSASHOA-UHFFFAOYSA-N 1 1 343.435 0.786 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)NC)c3)[C@H]2C1 ZINC001083280405 739266657 /nfs/dbraw/zinc/26/66/57/739266657.db2.gz QGVOIWBJTYHAJX-JKSUJKDBSA-N 1 1 329.400 0.757 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)NC)c3)[C@H]2C1 ZINC001083280405 739266660 /nfs/dbraw/zinc/26/66/60/739266660.db2.gz QGVOIWBJTYHAJX-JKSUJKDBSA-N 1 1 329.400 0.757 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001025391562 739367160 /nfs/dbraw/zinc/36/71/60/739367160.db2.gz STLSVXAWUNMVJU-ZIAGYGMSSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001104728570 739555049 /nfs/dbraw/zinc/55/50/49/739555049.db2.gz UFGSRGZUAYRHAU-NSHDSACASA-N 1 1 343.391 0.970 20 30 ECEDMO C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001104728581 739555148 /nfs/dbraw/zinc/55/51/48/739555148.db2.gz UNTAXVLSJXITNY-LLVKDONJSA-N 1 1 343.391 0.970 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001025458226 739571687 /nfs/dbraw/zinc/57/16/87/739571687.db2.gz HFPYRZMSNUPONZ-QWHCGFSZSA-N 1 1 332.404 0.957 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001025460213 739575796 /nfs/dbraw/zinc/57/57/96/739575796.db2.gz XUQAUTYIZFDNCT-NWDGAFQWSA-N 1 1 339.417 0.391 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000973614166 739585396 /nfs/dbraw/zinc/58/53/96/739585396.db2.gz ICQSDEAEYBZZRM-XYTVBORESA-N 1 1 329.444 0.990 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3nnnn3c2)C1 ZINC001025488610 739652765 /nfs/dbraw/zinc/65/27/65/739652765.db2.gz KGCSDIZCWAXEIG-KBPBESRZSA-N 1 1 326.404 0.978 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC001006513834 751471533 /nfs/dbraw/zinc/47/15/33/751471533.db2.gz ACTWKJNQLUYLCN-DYVFJYSZSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001025594908 739759574 /nfs/dbraw/zinc/75/95/74/739759574.db2.gz JHTLZKYDOFDAIY-QWHCGFSZSA-N 1 1 344.419 0.824 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2nc3nccc(C)n3n2)C1 ZINC001025604676 739769428 /nfs/dbraw/zinc/76/94/28/739769428.db2.gz BHNBXZWGIUNNOA-ZIAGYGMSSA-N 1 1 326.404 0.896 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001006527060 751482978 /nfs/dbraw/zinc/48/29/78/751482978.db2.gz BDFVCGWIFWVYPG-GUYCJALGSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)nn1 ZINC001098604192 739905974 /nfs/dbraw/zinc/90/59/74/739905974.db2.gz JDZMRUKJPQDJLU-GFCCVEGCSA-N 1 1 329.364 0.137 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4C[C@@]45CCOC5)C[C@H]32)[nH]1 ZINC001025741740 739910457 /nfs/dbraw/zinc/91/04/57/739910457.db2.gz WHQPTTFKUOJWFZ-QMQUKDLHSA-N 1 1 326.400 0.973 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@H]1C(F)(F)F ZINC001112031475 739918546 /nfs/dbraw/zinc/91/85/46/739918546.db2.gz MBBGJMDVGUHDPR-DJLDLDEBSA-N 1 1 343.296 0.921 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2(F)F)C1=O ZINC001025771745 739935214 /nfs/dbraw/zinc/93/52/14/739935214.db2.gz AZHLRBPMIXECBW-OBPIAQAESA-N 1 1 325.359 0.475 20 30 ECEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N ZINC001058660614 739955301 /nfs/dbraw/zinc/95/53/01/739955301.db2.gz DTPQZJZKWDPGLC-KBPBESRZSA-N 1 1 349.435 0.493 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N[C@H](CC(C)C)C1 ZINC001025847285 740018690 /nfs/dbraw/zinc/01/86/90/740018690.db2.gz AUJDTZSYVJQPAQ-JLOCXQCDSA-N 1 1 331.460 0.997 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)C1 ZINC001058663494 740037800 /nfs/dbraw/zinc/03/78/00/740037800.db2.gz UPDJEGJKPRVQRW-HUUCEWRRSA-N 1 1 338.452 0.205 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C(C)C)C1 ZINC001149173745 740137081 /nfs/dbraw/zinc/13/70/81/740137081.db2.gz AQHMCVXVYDAOCG-HNNXBMFYSA-N 1 1 338.452 0.612 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C(C)C)C1 ZINC001149173745 740137084 /nfs/dbraw/zinc/13/70/84/740137084.db2.gz AQHMCVXVYDAOCG-HNNXBMFYSA-N 1 1 338.452 0.612 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@H]2C(N)=O)c1 ZINC001025937105 740264814 /nfs/dbraw/zinc/26/48/14/740264814.db2.gz HDWNIAVCQNTHAA-ALYAQQCSSA-N 1 1 338.411 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccncc2)C1 ZINC000973799304 740291760 /nfs/dbraw/zinc/29/17/60/740291760.db2.gz NMPCQLUIXQBMPK-XHSDSOJGSA-N 1 1 326.400 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccncc2)C1 ZINC000973799304 740291763 /nfs/dbraw/zinc/29/17/63/740291763.db2.gz NMPCQLUIXQBMPK-XHSDSOJGSA-N 1 1 326.400 0.556 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC000982046143 751530089 /nfs/dbraw/zinc/53/00/89/751530089.db2.gz FZAPHYOJKLLGJI-UHFFFAOYSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC000982046143 751530092 /nfs/dbraw/zinc/53/00/92/751530092.db2.gz FZAPHYOJKLLGJI-UHFFFAOYSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982046434 751531457 /nfs/dbraw/zinc/53/14/57/751531457.db2.gz KGMNADUSJNEAQR-OAHLLOKOSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982046434 751531462 /nfs/dbraw/zinc/53/14/62/751531462.db2.gz KGMNADUSJNEAQR-OAHLLOKOSA-N 1 1 338.473 0.759 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026056877 740344140 /nfs/dbraw/zinc/34/41/40/740344140.db2.gz HYEZSTOVJHOQQW-LGFJLYTPSA-N 1 1 333.432 0.245 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4C[C@@]45CCOC5)C[C@H]32)nn1 ZINC001026094172 740370352 /nfs/dbraw/zinc/37/03/52/740370352.db2.gz IZSHGFYEDHLONP-JQONLHTASA-N 1 1 343.431 0.551 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001026101898 740376797 /nfs/dbraw/zinc/37/67/97/740376797.db2.gz RKTKZGDEBKBMIF-KLOLGFOXSA-N 1 1 333.432 0.245 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC000982088301 751557349 /nfs/dbraw/zinc/55/73/49/751557349.db2.gz JVHFAQKPNOMPHZ-UHFFFAOYSA-N 1 1 342.443 0.808 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2cnnn2C)CC1 ZINC000329322554 740822415 /nfs/dbraw/zinc/82/24/15/740822415.db2.gz UVAAOEGIZSBVQH-GASCZTMLSA-N 1 1 349.483 0.720 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974040960 740828882 /nfs/dbraw/zinc/82/88/82/740828882.db2.gz MMNASRRKOXBHIP-BETUJISGSA-N 1 1 326.360 0.469 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=C(C)OCCC2)C1 ZINC000982095160 751581362 /nfs/dbraw/zinc/58/13/62/751581362.db2.gz VWKOPTQFAIRGKU-WBVHZDCISA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=C(C)OCCC2)C1 ZINC000982095160 751581364 /nfs/dbraw/zinc/58/13/64/751581364.db2.gz VWKOPTQFAIRGKU-WBVHZDCISA-N 1 1 345.443 0.886 20 30 ECEDMO CC(C)C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104926561 740949066 /nfs/dbraw/zinc/94/90/66/740949066.db2.gz VXZYUFNCXKOLSP-CABCVRRESA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104926561 740949068 /nfs/dbraw/zinc/94/90/68/740949068.db2.gz VXZYUFNCXKOLSP-CABCVRRESA-N 1 1 346.435 0.622 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000974146147 741003236 /nfs/dbraw/zinc/00/32/36/741003236.db2.gz BKRZPZKDCXDESZ-LJIZCISZSA-N 1 1 335.448 0.683 20 30 ECEDMO N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001059857224 751611062 /nfs/dbraw/zinc/61/10/62/751611062.db2.gz SMNILOQCEPCLLH-OSRDXIQISA-N 1 1 342.403 0.271 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000974327198 741326916 /nfs/dbraw/zinc/32/69/16/741326916.db2.gz OYIFLAPIYSISKB-HRCADAONSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1snnc1C ZINC001038369868 741342895 /nfs/dbraw/zinc/34/28/95/741342895.db2.gz XGZLEVWAHICPGN-KBPBESRZSA-N 1 1 333.461 0.635 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1snnc1C ZINC001038369868 741342900 /nfs/dbraw/zinc/34/29/00/741342900.db2.gz XGZLEVWAHICPGN-KBPBESRZSA-N 1 1 333.461 0.635 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)CCc3cn[nH]c3)CC2)C1=O ZINC000982132144 751630203 /nfs/dbraw/zinc/63/02/03/751630203.db2.gz JNLZKTHJNOGNAR-MRXNPFEDSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)CCc3cn[nH]c3)CC2)C1=O ZINC000982132144 751630205 /nfs/dbraw/zinc/63/02/05/751630205.db2.gz JNLZKTHJNOGNAR-MRXNPFEDSA-N 1 1 345.447 0.664 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C2)C1 ZINC000982133789 751631202 /nfs/dbraw/zinc/63/12/02/751631202.db2.gz IMSWBULNJBYEEH-UHFFFAOYSA-N 1 1 337.383 0.902 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC000982141639 751636826 /nfs/dbraw/zinc/63/68/26/751636826.db2.gz NBSUNXNVVMSNBV-UHFFFAOYSA-N 1 1 349.822 0.866 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC000982141639 751636829 /nfs/dbraw/zinc/63/68/29/751636829.db2.gz NBSUNXNVVMSNBV-UHFFFAOYSA-N 1 1 349.822 0.866 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)n(C)n3)C2)nn1 ZINC001105176305 741441820 /nfs/dbraw/zinc/44/18/20/741441820.db2.gz HDZQHSVFHADXRR-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OC)C3CC3)C2)nn1 ZINC001105224131 741502596 /nfs/dbraw/zinc/50/25/96/741502596.db2.gz YOYRQDZQMCITSI-MRXNPFEDSA-N 1 1 349.435 0.379 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3ncc[nH]3)C2)nn1 ZINC001105224163 741502873 /nfs/dbraw/zinc/50/28/73/741502873.db2.gz ZXLFXDLTDSQDQM-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3(F)F)C2)nn1 ZINC001105235838 741528339 /nfs/dbraw/zinc/52/83/39/741528339.db2.gz VRZLXUVYFFJESD-ZDUSSCGKSA-N 1 1 341.362 0.609 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240565 741533426 /nfs/dbraw/zinc/53/34/26/741533426.db2.gz RRMJEKRHZWCBJD-ZBFHGGJFSA-N 1 1 342.447 0.259 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnnn3CC)[C@H]2C)C1=O ZINC001088556056 751646054 /nfs/dbraw/zinc/64/60/54/751646054.db2.gz HOPGZPRMWPJMFP-RDBSUJKOSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnnn3CC)[C@H]2C)C1=O ZINC001088556056 751646057 /nfs/dbraw/zinc/64/60/57/751646057.db2.gz HOPGZPRMWPJMFP-RDBSUJKOSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 ZINC000982135382 751648356 /nfs/dbraw/zinc/64/83/56/751648356.db2.gz GNAIWYAGRFQCKN-UHFFFAOYSA-N 1 1 333.436 0.391 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)CCCN(C)c1cncc(C#N)n1 ZINC001112089999 741572704 /nfs/dbraw/zinc/57/27/04/741572704.db2.gz KNDRBNIKNREODP-UHFFFAOYSA-N 1 1 327.392 0.838 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)CCCN(C)c1ccnc(C#N)n1 ZINC001112090246 741577463 /nfs/dbraw/zinc/57/74/63/741577463.db2.gz ZVZQOLXRQVNJCK-UHFFFAOYSA-N 1 1 327.392 0.838 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N[C@H](C)C3)C2)nn1 ZINC001105275712 741621351 /nfs/dbraw/zinc/62/13/51/741621351.db2.gz ZAHBPCGFLZZPPM-CHWSQXEVSA-N 1 1 346.435 0.242 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3Cc4ccccc4O3)C2)nn1 ZINC001105281005 741639599 /nfs/dbraw/zinc/63/95/99/741639599.db2.gz PMTYBRYHDSGIKE-QGZVFWFLSA-N 1 1 339.399 0.941 20 30 ECEDMO C#CCC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4c[nH]nc43)C2)nn1 ZINC001105297514 741675060 /nfs/dbraw/zinc/67/50/60/741675060.db2.gz PDBDNEDSQIBIOJ-UHFFFAOYSA-N 1 1 349.398 0.964 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCC(=O)N3C)C2)nn1 ZINC001105297781 741675855 /nfs/dbraw/zinc/67/58/55/741675855.db2.gz VLXGXZISDJUIKO-AWEZNQCLSA-N 1 1 346.435 0.338 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](F)CC)C2)nn1 ZINC001105301656 741686834 /nfs/dbraw/zinc/68/68/34/741686834.db2.gz UGGIWUNGLNDAIS-CQSZACIVSA-N 1 1 325.388 0.702 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001058728267 741690903 /nfs/dbraw/zinc/69/09/03/741690903.db2.gz OCLUUSMBCMUXPT-QGZVFWFLSA-N 1 1 327.469 0.868 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnc(C)n3C)C2)nn1 ZINC001105312680 741731738 /nfs/dbraw/zinc/73/17/38/741731738.db2.gz YASCPWDNXWXLPK-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001026731486 741732738 /nfs/dbraw/zinc/73/27/38/741732738.db2.gz WDGCSONNUYBSSM-KGLIPLIRSA-N 1 1 331.420 0.557 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058731307 741763167 /nfs/dbraw/zinc/76/31/67/741763167.db2.gz YWQANDDBOPFFTN-MAUKXSAKSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)CC(C)(F)F)C2)nn1 ZINC001105321182 741777482 /nfs/dbraw/zinc/77/74/82/741777482.db2.gz XXTZDKHYAPVDBN-UHFFFAOYSA-N 1 1 343.378 0.999 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974534880 741878031 /nfs/dbraw/zinc/87/80/31/741878031.db2.gz BWANPFHWKFTBGZ-GJZGRUSLSA-N 1 1 342.399 0.993 20 30 ECEDMO C#CCCCCC(=O)NCC[NH2+]Cc1nn2c(nc(C)cc2=O)s1 ZINC001125951417 741907570 /nfs/dbraw/zinc/90/75/70/741907570.db2.gz OXMBNKZPOJUXAH-UHFFFAOYSA-N 1 1 347.444 0.859 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974645286 741965131 /nfs/dbraw/zinc/96/51/31/741965131.db2.gz SBEBVEVURJGNQI-LSDHHAIUSA-N 1 1 335.448 0.331 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC)NC(C)=O)C2)nn1 ZINC001105333671 741984968 /nfs/dbraw/zinc/98/49/68/741984968.db2.gz MZPVRIQDQSMMKC-OAHLLOKOSA-N 1 1 334.424 0.242 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nc3ncc(C)cn3n2)C(C)(C)C1 ZINC000974713999 742080771 /nfs/dbraw/zinc/08/07/71/742080771.db2.gz CQRASJXVIZXFFO-CYBMUJFWSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1 ZINC000974731047 742126969 /nfs/dbraw/zinc/12/69/69/742126969.db2.gz GODCWXDXNGTLLS-UTUOFQBUSA-N 1 1 334.338 0.793 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1 ZINC000974731047 742126972 /nfs/dbraw/zinc/12/69/72/742126972.db2.gz GODCWXDXNGTLLS-UTUOFQBUSA-N 1 1 334.338 0.793 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC000974740268 742138591 /nfs/dbraw/zinc/13/85/91/742138591.db2.gz WTEACFFSCWINFU-OVYGPGRDSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC000974740268 742138593 /nfs/dbraw/zinc/13/85/93/742138593.db2.gz WTEACFFSCWINFU-OVYGPGRDSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974749669 742140075 /nfs/dbraw/zinc/14/00/75/742140075.db2.gz GAUQCGDAMFUQTJ-LLVKDONJSA-N 1 1 325.390 0.000 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974749669 742140077 /nfs/dbraw/zinc/14/00/77/742140077.db2.gz GAUQCGDAMFUQTJ-LLVKDONJSA-N 1 1 325.390 0.000 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974742179 742140626 /nfs/dbraw/zinc/14/06/26/742140626.db2.gz MPBHDFGHAHUGFQ-OLZOCXBDSA-N 1 1 331.420 0.396 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C(C)(C)C1 ZINC000974754132 742149052 /nfs/dbraw/zinc/14/90/52/742149052.db2.gz NZWJKPNXBCBPMH-AWEZNQCLSA-N 1 1 338.473 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C(C)(C)C1 ZINC000974754132 742149054 /nfs/dbraw/zinc/14/90/54/742149054.db2.gz NZWJKPNXBCBPMH-AWEZNQCLSA-N 1 1 338.473 0.661 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCNC3=O)CC2(C)C)cc1 ZINC000974928037 742369306 /nfs/dbraw/zinc/36/93/06/742369306.db2.gz AYNQFEQLQAENDI-CVEARBPZSA-N 1 1 325.412 0.997 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)cc1 ZINC000974928037 742369309 /nfs/dbraw/zinc/36/93/09/742369309.db2.gz AYNQFEQLQAENDI-CVEARBPZSA-N 1 1 325.412 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC000975007264 742444775 /nfs/dbraw/zinc/44/47/75/742444775.db2.gz ZOIHGVHMASWVMV-WCXIOVBPSA-N 1 1 345.443 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC000975007264 742444778 /nfs/dbraw/zinc/44/47/78/742444778.db2.gz ZOIHGVHMASWVMV-WCXIOVBPSA-N 1 1 345.443 0.180 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000975198776 742592827 /nfs/dbraw/zinc/59/28/27/742592827.db2.gz ZQJBYQOIZCDYRM-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC000975361266 742752223 /nfs/dbraw/zinc/75/22/23/742752223.db2.gz MNAIAGBOLRAVIE-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC000975361266 742752224 /nfs/dbraw/zinc/75/22/24/742752224.db2.gz MNAIAGBOLRAVIE-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)nc1 ZINC001028935940 742916336 /nfs/dbraw/zinc/91/63/36/742916336.db2.gz NNRVJYCAEKWWHU-HOCLYGCPSA-N 1 1 326.400 0.393 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001028969459 743021972 /nfs/dbraw/zinc/02/19/72/743021972.db2.gz NWRBQJIOSYAKMG-ZFWWWQNUSA-N 1 1 344.415 0.626 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)CS(C)(=O)=O ZINC000988283441 751793413 /nfs/dbraw/zinc/79/34/13/751793413.db2.gz ULNAZKSAUAGHNQ-WFASDCNBSA-N 1 1 335.429 0.682 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087467099 743161644 /nfs/dbraw/zinc/16/16/44/743161644.db2.gz DYMWCMZJZDOLKH-BZUAXINKSA-N 1 1 344.390 0.414 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087467099 743161647 /nfs/dbraw/zinc/16/16/47/743161647.db2.gz DYMWCMZJZDOLKH-BZUAXINKSA-N 1 1 344.390 0.414 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1C(F)(F)F ZINC001112143194 743193677 /nfs/dbraw/zinc/19/36/77/743193677.db2.gz NGPMAQKKXMPDGE-DDHJBXDOSA-N 1 1 331.338 0.371 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC000997093876 743226219 /nfs/dbraw/zinc/22/62/19/743226219.db2.gz RTTQQSLBFPIOOG-IUODEOHRSA-N 1 1 326.400 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC000997093880 743226271 /nfs/dbraw/zinc/22/62/71/743226271.db2.gz RTTQQSLBFPIOOG-WFASDCNBSA-N 1 1 326.400 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)nc1 ZINC000997093896 743226462 /nfs/dbraw/zinc/22/64/62/743226462.db2.gz RZASGXZVCOTFJB-MRXNPFEDSA-N 1 1 349.394 0.778 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000997101847 743237234 /nfs/dbraw/zinc/23/72/34/743237234.db2.gz LIMIJRDXDUESIB-LRDDRELGSA-N 1 1 326.400 0.201 20 30 ECEDMO CC[C@@H](F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112143559 743265106 /nfs/dbraw/zinc/26/51/06/743265106.db2.gz BSEGRPWGFDRJGM-OPRDCNLKSA-N 1 1 338.305 0.353 20 30 ECEDMO CN(C)c1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000983506206 743302361 /nfs/dbraw/zinc/30/23/61/743302361.db2.gz KYPUQJCNROTDEF-UMSPYCQHSA-N 1 1 343.391 0.634 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1cnon1 ZINC000975854281 743356020 /nfs/dbraw/zinc/35/60/20/743356020.db2.gz PAZKZUYLIGLMAJ-HIFRSBDPSA-N 1 1 345.403 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1cnon1 ZINC000975854281 743356028 /nfs/dbraw/zinc/35/60/28/743356028.db2.gz PAZKZUYLIGLMAJ-HIFRSBDPSA-N 1 1 345.403 0.278 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)nn1 ZINC001098694817 743477387 /nfs/dbraw/zinc/47/73/87/743477387.db2.gz KAOZJZSDWFPPFI-HNNXBMFYSA-N 1 1 343.435 0.991 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)Cn3cccn3)C2)C1=O ZINC001027298886 743511567 /nfs/dbraw/zinc/51/15/67/743511567.db2.gz MMVLMYDPFLWWEJ-JKSUJKDBSA-N 1 1 345.447 0.593 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000997436190 743616246 /nfs/dbraw/zinc/61/62/46/743616246.db2.gz RCRCRHRWCWAVRK-DGCLKSJQSA-N 1 1 349.884 0.647 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000976314573 743822470 /nfs/dbraw/zinc/82/24/70/743822470.db2.gz ZDJBFOIEMSYRCH-FQRJBHLQSA-N 1 1 335.448 0.492 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000976314573 743822474 /nfs/dbraw/zinc/82/24/74/743822474.db2.gz ZDJBFOIEMSYRCH-FQRJBHLQSA-N 1 1 335.448 0.492 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976337306 743834697 /nfs/dbraw/zinc/83/46/97/743834697.db2.gz VBKWHTNVEZOXDI-VIKVFOODSA-N 1 1 338.371 0.278 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2oncc2C)C1=O ZINC001028239783 751869510 /nfs/dbraw/zinc/86/95/10/751869510.db2.gz WXGAPKOHJCHVSW-KBPBESRZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2oncc2C)C1=O ZINC001028239783 751869519 /nfs/dbraw/zinc/86/95/19/751869519.db2.gz WXGAPKOHJCHVSW-KBPBESRZSA-N 1 1 332.404 0.964 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976374351 743887188 /nfs/dbraw/zinc/88/71/88/743887188.db2.gz FSJYUFWALIBPLU-CLWVCHIJSA-N 1 1 341.415 0.557 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)O1 ZINC001059872921 751870623 /nfs/dbraw/zinc/87/06/23/751870623.db2.gz NPBILFTULOIAJK-NRWUCQMLSA-N 1 1 330.392 0.126 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)O1 ZINC001059872921 751870634 /nfs/dbraw/zinc/87/06/34/751870634.db2.gz NPBILFTULOIAJK-NRWUCQMLSA-N 1 1 330.392 0.126 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000998028544 743938767 /nfs/dbraw/zinc/93/87/67/743938767.db2.gz YFWGLSRJMUCROL-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000976511037 744040340 /nfs/dbraw/zinc/04/03/40/744040340.db2.gz OILVBSYAHVMVME-BCDMZGRMSA-N 1 1 341.455 0.847 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000998201509 744047133 /nfs/dbraw/zinc/04/71/33/744047133.db2.gz ZEIBCSJAAHACFI-AWEZNQCLSA-N 1 1 348.451 0.656 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001058771217 744067878 /nfs/dbraw/zinc/06/78/78/744067878.db2.gz WDZUQFCWVINUFL-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001006833831 751886541 /nfs/dbraw/zinc/88/65/41/751886541.db2.gz LDRQITIAPWCGNA-UKRRQHHQSA-N 1 1 340.427 0.591 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976692683 744208113 /nfs/dbraw/zinc/20/81/13/744208113.db2.gz WLCGGOJEGUQHNV-LJIGWXMPSA-N 1 1 342.443 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]cc3C)C[C@H]21 ZINC000976737339 744263222 /nfs/dbraw/zinc/26/32/22/744263222.db2.gz UDKNEIMNIRVKKO-VVLHAWIVSA-N 1 1 340.427 0.607 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]cc3C)C[C@H]21 ZINC000976737339 744263226 /nfs/dbraw/zinc/26/32/26/744263226.db2.gz UDKNEIMNIRVKKO-VVLHAWIVSA-N 1 1 340.427 0.607 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4cccnn43)C2)nn1 ZINC001105339020 744263850 /nfs/dbraw/zinc/26/38/50/744263850.db2.gz HZSZFAUDQPSJAZ-UHFFFAOYSA-N 1 1 338.375 0.294 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC3(C)C)C[C@H]21 ZINC000976739971 744266392 /nfs/dbraw/zinc/26/63/92/744266392.db2.gz JZACAUNJQOSERE-LEOABGAYSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC3(C)C)C[C@H]21 ZINC000976739971 744266395 /nfs/dbraw/zinc/26/63/95/744266395.db2.gz JZACAUNJQOSERE-LEOABGAYSA-N 1 1 329.444 0.703 20 30 ECEDMO CCn1ncc(C[NH2+]C2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998651655 744268694 /nfs/dbraw/zinc/26/86/94/744268694.db2.gz NTWVZXSNCAEMBU-UHFFFAOYSA-N 1 1 327.392 0.891 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCCNc2ccc(C#N)nn2)C1 ZINC001114946846 751911501 /nfs/dbraw/zinc/91/15/01/751911501.db2.gz UYIDQNJYLGTEMX-ZFWWWQNUSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCCNc2ccc(C#N)nn2)C1 ZINC001114946846 751911503 /nfs/dbraw/zinc/91/15/03/751911503.db2.gz UYIDQNJYLGTEMX-ZFWWWQNUSA-N 1 1 346.435 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2c[nH+]cc2C)nc1 ZINC000976849019 744395355 /nfs/dbraw/zinc/39/53/55/744395355.db2.gz VCVPEUMZPRYNPJ-HWWDLCQESA-N 1 1 349.394 0.455 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1C ZINC000998962793 744433385 /nfs/dbraw/zinc/43/33/85/744433385.db2.gz VKMOKYLYHGTCRN-ZDUSSCGKSA-N 1 1 341.419 0.972 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)C1 ZINC000988357795 751920374 /nfs/dbraw/zinc/92/03/74/751920374.db2.gz HZPCXOHSOPZLAA-KBMXLJTQSA-N 1 1 333.432 0.226 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)C1 ZINC000988357795 751920378 /nfs/dbraw/zinc/92/03/78/751920378.db2.gz HZPCXOHSOPZLAA-KBMXLJTQSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2nonc2C)C1 ZINC001027446445 744485782 /nfs/dbraw/zinc/48/57/82/744485782.db2.gz KTCHSMYXVDEFKW-WBVHZDCISA-N 1 1 345.447 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2nonc2C)C1 ZINC001027446445 744485786 /nfs/dbraw/zinc/48/57/86/744485786.db2.gz KTCHSMYXVDEFKW-WBVHZDCISA-N 1 1 345.447 0.898 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000999127877 744524644 /nfs/dbraw/zinc/52/46/44/744524644.db2.gz KCYXMZCULVOSCG-CQSZACIVSA-N 1 1 329.404 0.302 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@@]2(C)C1 ZINC000982306656 751928028 /nfs/dbraw/zinc/92/80/28/751928028.db2.gz WGLSGKWCPJJOPZ-BMFZPTHFSA-N 1 1 326.462 0.613 20 30 ECEDMO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001027463224 744615558 /nfs/dbraw/zinc/61/55/58/744615558.db2.gz UXJUSNRKGXIFDR-CQSZACIVSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001027463224 744615560 /nfs/dbraw/zinc/61/55/60/744615560.db2.gz UXJUSNRKGXIFDR-CQSZACIVSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001027468127 744646498 /nfs/dbraw/zinc/64/64/98/744646498.db2.gz FGLNOYMCHLQXBJ-LBPRGKRZSA-N 1 1 325.390 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oncc1C ZINC000977112955 744667360 /nfs/dbraw/zinc/66/73/60/744667360.db2.gz BGKFFLFQKSBKTM-LJISPDSOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oncc1C ZINC000977112955 744667363 /nfs/dbraw/zinc/66/73/63/744667363.db2.gz BGKFFLFQKSBKTM-LJISPDSOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001027504369 744858611 /nfs/dbraw/zinc/85/86/11/744858611.db2.gz CSDSTBUROTUYAY-AWEZNQCLSA-N 1 1 325.376 0.227 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C(C)(C)C1 ZINC000977380024 744915293 /nfs/dbraw/zinc/91/52/93/744915293.db2.gz RSHGEPQSMRZWSH-HNNXBMFYSA-N 1 1 330.432 0.710 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977384978 744919025 /nfs/dbraw/zinc/91/90/25/744919025.db2.gz FLHPLZYEHJYPMM-GDBMZVCRSA-N 1 1 345.447 0.778 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977384978 744919029 /nfs/dbraw/zinc/91/90/29/744919029.db2.gz FLHPLZYEHJYPMM-GDBMZVCRSA-N 1 1 345.447 0.778 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000977422913 744972280 /nfs/dbraw/zinc/97/22/80/744972280.db2.gz VBSQLIZWDZFEAU-LBPRGKRZSA-N 1 1 334.420 0.167 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCC[C@](CO)(Nc2ccncc2C#N)C1 ZINC001112228766 751965959 /nfs/dbraw/zinc/96/59/59/751965959.db2.gz XZSUKXQJERXQNN-SFHVURJKSA-N 1 1 345.447 0.482 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC000977474805 745069330 /nfs/dbraw/zinc/06/93/30/745069330.db2.gz BGKOWEMQENUFIV-DZGCQCFKSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)CC1(C)C ZINC000977508922 745093268 /nfs/dbraw/zinc/09/32/68/745093268.db2.gz CMSHDBZODHDBJR-UKRRQHHQSA-N 1 1 331.416 0.915 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]c(C)c3C)nn2)C1 ZINC000999963855 745108089 /nfs/dbraw/zinc/10/80/89/745108089.db2.gz UEPBQZOVBKOXCP-CQSZACIVSA-N 1 1 327.392 0.428 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001059878970 751972807 /nfs/dbraw/zinc/97/28/07/751972807.db2.gz SAFVNLQAPWXREX-ZNMIVQPWSA-N 1 1 342.447 0.950 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 ZINC000999967939 745113467 /nfs/dbraw/zinc/11/34/67/745113467.db2.gz QAGDZJJKAFXKDH-HNNXBMFYSA-N 1 1 327.392 0.212 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)noc3C)nn2)C1 ZINC000999968481 745114210 /nfs/dbraw/zinc/11/42/10/745114210.db2.gz SMIFTLLUIWLFOT-AWEZNQCLSA-N 1 1 328.376 0.693 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3C)nn2)C1 ZINC000999969529 745116048 /nfs/dbraw/zinc/11/60/48/745116048.db2.gz WODYECKVKRWNCC-AWEZNQCLSA-N 1 1 329.408 0.683 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3csnc3C)nn2)C1 ZINC000999975923 745124376 /nfs/dbraw/zinc/12/43/76/745124376.db2.gz SGRDHHAXMIILRT-CYBMUJFWSA-N 1 1 330.417 0.853 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCc2cn([C@@H]3CC[N@@H+](CCF)C3)nn2)c1 ZINC000999976847 745125222 /nfs/dbraw/zinc/12/52/22/745125222.db2.gz XPCWIODDWDCRAY-CYBMUJFWSA-N 1 1 331.355 0.624 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCc2cn([C@@H]3CC[N@H+](CCF)C3)nn2)c1 ZINC000999976847 745125225 /nfs/dbraw/zinc/12/52/25/745125225.db2.gz XPCWIODDWDCRAY-CYBMUJFWSA-N 1 1 331.355 0.624 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCNC(=O)C3)nn2)C1 ZINC000999977222 745126150 /nfs/dbraw/zinc/12/61/50/745126150.db2.gz ARAQXOPCPIXKAP-HIFRSBDPSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC000999979673 745129739 /nfs/dbraw/zinc/12/97/39/745129739.db2.gz JEXKMRDMUIZBTJ-CQSZACIVSA-N 1 1 325.376 0.841 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnn3CC)nn2)C1 ZINC000999980419 745131074 /nfs/dbraw/zinc/13/10/74/745131074.db2.gz NTZIFSNPFYVAQR-CQSZACIVSA-N 1 1 327.392 0.305 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC(=O)N(C)C)CC2(C)C)nc1 ZINC000977513244 745133267 /nfs/dbraw/zinc/13/32/67/745133267.db2.gz MWOVEAAOHHEJAM-HNNXBMFYSA-N 1 1 328.416 0.591 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(=O)N(C)C)CC2(C)C)nc1 ZINC000977513244 745133272 /nfs/dbraw/zinc/13/32/72/745133272.db2.gz MWOVEAAOHHEJAM-HNNXBMFYSA-N 1 1 328.416 0.591 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)ncn3C)nn2)C1 ZINC000999991359 745148374 /nfs/dbraw/zinc/14/83/74/745148374.db2.gz LPTSMDDNCPPFTH-AWEZNQCLSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnnn3CC)nn2)C1 ZINC000999993391 745150974 /nfs/dbraw/zinc/15/09/74/745150974.db2.gz SWEXFTRPEAYNQL-AWEZNQCLSA-N 1 1 344.423 0.642 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc4n3CCC4)nn2)C1 ZINC000999993756 745152215 /nfs/dbraw/zinc/15/22/15/745152215.db2.gz VDSGFNAOADFEKW-CQSZACIVSA-N 1 1 339.403 0.231 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCN(C)C(=O)C3)nn2)C1 ZINC000999995140 745153845 /nfs/dbraw/zinc/15/38/45/745153845.db2.gz DHBPIKIWOZPVEK-HIFRSBDPSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnc(OC)n3)nn2)C1 ZINC001000000317 745162498 /nfs/dbraw/zinc/16/24/98/745162498.db2.gz IDXRLIYANOLONR-ZDUSSCGKSA-N 1 1 343.391 0.440 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C(N)=O)o3)nn2)C1 ZINC001000002712 745167028 /nfs/dbraw/zinc/16/70/28/745167028.db2.gz LIHRSVZDLCGANW-LBPRGKRZSA-N 1 1 344.375 0.333 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)nn2)C1 ZINC001000011407 745179782 /nfs/dbraw/zinc/17/97/82/745179782.db2.gz UVHCWQRVYKHWOH-YQQAZPJKSA-N 1 1 344.463 0.505 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)nn2)C1 ZINC001000011407 745179792 /nfs/dbraw/zinc/17/97/92/745179792.db2.gz UVHCWQRVYKHWOH-YQQAZPJKSA-N 1 1 344.463 0.505 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)cnn3C)nn2)C1 ZINC001000015635 745185173 /nfs/dbraw/zinc/18/51/73/745185173.db2.gz OHFUIWLFYTXAMK-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(=O)n3C)nn2)C1 ZINC001000015711 745185260 /nfs/dbraw/zinc/18/52/60/745185260.db2.gz PKESXOQIRQVRNU-GFCCVEGCSA-N 1 1 331.380 0.080 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc4cccnn43)nn2)C1 ZINC001000028235 745200592 /nfs/dbraw/zinc/20/05/92/745200592.db2.gz CMAZVEJUVPRVCX-INIZCTEOSA-N 1 1 349.398 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3coc(C4CC4)n3)nn2)C1 ZINC001000029262 745202549 /nfs/dbraw/zinc/20/25/49/745202549.db2.gz HTCXJVWYQKIATH-AWEZNQCLSA-N 1 1 340.387 0.954 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C(F)F)c3)nn2)C1 ZINC001000029894 745203342 /nfs/dbraw/zinc/20/33/42/745203342.db2.gz OXTDBRRADXZJHY-CYBMUJFWSA-N 1 1 349.345 0.680 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 ZINC001000030781 745204918 /nfs/dbraw/zinc/20/49/18/745204918.db2.gz UEGOBADZTKMOQM-CYBMUJFWSA-N 1 1 330.396 0.160 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 ZINC001000030784 745205502 /nfs/dbraw/zinc/20/55/02/745205502.db2.gz UEGOBADZTKMOQM-ZDUSSCGKSA-N 1 1 330.396 0.160 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001000038456 745217099 /nfs/dbraw/zinc/21/70/99/745217099.db2.gz WGRRVGFXYCNALB-AWEZNQCLSA-N 1 1 325.376 0.268 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nn(CC)nc3C)nn2)C1 ZINC001000043382 745223895 /nfs/dbraw/zinc/22/38/95/745223895.db2.gz QXQCXVKLANPTQC-AWEZNQCLSA-N 1 1 342.407 0.008 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c4ncccc34)nn2)C1 ZINC001000046475 745227336 /nfs/dbraw/zinc/22/73/36/745227336.db2.gz ULFBHXNTFWLERP-AWEZNQCLSA-N 1 1 349.398 0.964 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cc2nc3ncccn3n2)C(C)(C)C1 ZINC000977581397 745238462 /nfs/dbraw/zinc/23/84/62/745238462.db2.gz WFCIWUYQZSFSLK-ZDUSSCGKSA-N 1 1 326.404 0.517 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001059235041 745303052 /nfs/dbraw/zinc/30/30/52/745303052.db2.gz HGKIBKISUIJFQI-IIAWOOMASA-N 1 1 329.404 0.155 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001059235041 745303059 /nfs/dbraw/zinc/30/30/59/745303059.db2.gz HGKIBKISUIJFQI-IIAWOOMASA-N 1 1 329.404 0.155 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccccn4)[C@@H]3C2)C1=O ZINC000977694242 745407225 /nfs/dbraw/zinc/40/72/25/745407225.db2.gz DMODRXUEUOBCDV-MPTYRVRUSA-N 1 1 340.427 0.776 20 30 ECEDMO C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCc4[nH]nnc4C3)CC2)CC1 ZINC001000316434 745423516 /nfs/dbraw/zinc/42/35/16/745423516.db2.gz GUHBPSOWXHMGOD-ZDUSSCGKSA-N 1 1 327.432 0.904 20 30 ECEDMO C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCc4nn[nH]c4C3)CC2)CC1 ZINC001000316434 745423521 /nfs/dbraw/zinc/42/35/21/745423521.db2.gz GUHBPSOWXHMGOD-ZDUSSCGKSA-N 1 1 327.432 0.904 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001075789844 745470696 /nfs/dbraw/zinc/47/06/96/745470696.db2.gz OCFXIGWJTDPYPT-SQWLQELKSA-N 1 1 343.431 0.871 20 30 ECEDMO CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)C1 ZINC001083413156 745483636 /nfs/dbraw/zinc/48/36/36/745483636.db2.gz BPWPILYVDCLQSS-CFVMTHIKSA-N 1 1 332.404 0.476 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)[nH]1 ZINC001083414278 745532788 /nfs/dbraw/zinc/53/27/88/745532788.db2.gz VNJVMRUDTULWNW-SJORKVTESA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)[nH]1 ZINC001083414278 745532790 /nfs/dbraw/zinc/53/27/90/745532790.db2.gz VNJVMRUDTULWNW-SJORKVTESA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]2O)c[nH]1 ZINC001083414878 745544414 /nfs/dbraw/zinc/54/44/14/745544414.db2.gz ZODLTPCMSMBYLH-SJORKVTESA-N 1 1 340.383 0.740 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]2O)c[nH]1 ZINC001083414878 745544415 /nfs/dbraw/zinc/54/44/15/745544415.db2.gz ZODLTPCMSMBYLH-SJORKVTESA-N 1 1 340.383 0.740 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCCN(C)C2=O)nc1 ZINC001028269023 752015502 /nfs/dbraw/zinc/01/55/02/752015502.db2.gz DHRHLOJQYCLAAH-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([N@H+](C)[C@H](CC)C(N)=O)C2)c1 ZINC001027568069 745588778 /nfs/dbraw/zinc/58/87/78/745588778.db2.gz AASFKNIQDAJIRS-JKSUJKDBSA-N 1 1 328.416 0.863 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCCNC2=O)nc1 ZINC001028269847 752020956 /nfs/dbraw/zinc/02/09/56/752020956.db2.gz WVGLJZLXJNBSEA-HOCLYGCPSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCCNC2=O)nc1 ZINC001028269847 752020960 /nfs/dbraw/zinc/02/09/60/752020960.db2.gz WVGLJZLXJNBSEA-HOCLYGCPSA-N 1 1 326.400 0.536 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CCC1=O ZINC001029300160 745623497 /nfs/dbraw/zinc/62/34/97/745623497.db2.gz BILLKDRCEDEPLQ-GASCZTMLSA-N 1 1 329.400 0.224 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CCC1=O ZINC001029300160 745623501 /nfs/dbraw/zinc/62/35/01/745623501.db2.gz BILLKDRCEDEPLQ-GASCZTMLSA-N 1 1 329.400 0.224 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020716071 752021582 /nfs/dbraw/zinc/02/15/82/752021582.db2.gz NLTMBKXDADIDEL-ABHRYQDASA-N 1 1 334.424 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ncc[nH]1 ZINC000977923415 745653499 /nfs/dbraw/zinc/65/34/99/745653499.db2.gz BMBNTTCDBJCGPY-KBPBESRZSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ncc[nH]1 ZINC000977923415 745653502 /nfs/dbraw/zinc/65/35/02/745653502.db2.gz BMBNTTCDBJCGPY-KBPBESRZSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1[nH]cnc1C ZINC000977915175 745669896 /nfs/dbraw/zinc/66/98/96/745669896.db2.gz BDQVJXOYRFERAR-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1[nH]cnc1C ZINC000977915175 745669899 /nfs/dbraw/zinc/66/98/99/745669899.db2.gz BDQVJXOYRFERAR-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC#N)n[nH]1 ZINC001029315691 745687648 /nfs/dbraw/zinc/68/76/48/745687648.db2.gz SHPWPKQILNQDOV-ZENOOKHLSA-N 1 1 328.420 0.989 20 30 ECEDMO C[N@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC#N)n[nH]1 ZINC001029315691 745687650 /nfs/dbraw/zinc/68/76/50/745687650.db2.gz SHPWPKQILNQDOV-ZENOOKHLSA-N 1 1 328.420 0.989 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1cncc(C#N)n1 ZINC001126524684 745742362 /nfs/dbraw/zinc/74/23/62/745742362.db2.gz XOYKICOFSRDWML-HIFRSBDPSA-N 1 1 346.435 0.115 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cn(C)cn4)[C@@H]3C2)C1=O ZINC000977983899 745747184 /nfs/dbraw/zinc/74/71/84/745747184.db2.gz SMOMPIVWQQUZLJ-HGTKMLMNSA-N 1 1 343.431 0.115 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cscn4)[C@@H]3C2)C1=O ZINC000977969570 745755815 /nfs/dbraw/zinc/75/58/15/745755815.db2.gz PJXFNNKJJQZKCE-GUIRCDHDSA-N 1 1 346.456 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnsn1 ZINC001029342273 745758355 /nfs/dbraw/zinc/75/83/55/745758355.db2.gz GVEWLTJIDOQTMM-XHSDSOJGSA-N 1 1 345.472 0.811 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnsn1 ZINC001029342273 745758361 /nfs/dbraw/zinc/75/83/61/745758361.db2.gz GVEWLTJIDOQTMM-XHSDSOJGSA-N 1 1 345.472 0.811 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC001000788747 745765134 /nfs/dbraw/zinc/76/51/34/745765134.db2.gz ZJNJXFFKBPYBGG-DLBZAZTESA-N 1 1 344.459 0.063 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982351755 752030970 /nfs/dbraw/zinc/03/09/70/752030970.db2.gz AMXCWQURIOLEGS-BMFZPTHFSA-N 1 1 326.462 0.778 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982351755 752030973 /nfs/dbraw/zinc/03/09/73/752030973.db2.gz AMXCWQURIOLEGS-BMFZPTHFSA-N 1 1 326.462 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000984089373 745796216 /nfs/dbraw/zinc/79/62/16/745796216.db2.gz DFCFGHRXGRKRHG-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000984089373 745796218 /nfs/dbraw/zinc/79/62/18/745796218.db2.gz DFCFGHRXGRKRHG-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC000978019276 745804122 /nfs/dbraw/zinc/80/41/22/745804122.db2.gz IPISAJHTRRYZGI-AYDFFVQHSA-N 1 1 341.415 0.415 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cncnc4)[C@@H]3C2)C1=O ZINC000978052341 745861624 /nfs/dbraw/zinc/86/16/24/745861624.db2.gz VYULXLHNATUUQJ-LVQVYYBASA-N 1 1 341.415 0.171 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC001027585103 745879483 /nfs/dbraw/zinc/87/94/83/745879483.db2.gz ZGAZNNUHDQNMHN-XHSDSOJGSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC001027585103 745879486 /nfs/dbraw/zinc/87/94/86/745879486.db2.gz ZGAZNNUHDQNMHN-XHSDSOJGSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2ccc(=O)n(CCOC)c2)CC1 ZINC001000902134 745881519 /nfs/dbraw/zinc/88/15/19/745881519.db2.gz UOEZGNGPNNMGMJ-UHFFFAOYSA-N 1 1 343.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC000978100991 745897192 /nfs/dbraw/zinc/89/71/92/745897192.db2.gz YTEPYKVAMKPQMT-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000984160154 745967451 /nfs/dbraw/zinc/96/74/51/745967451.db2.gz FAQPPSBQUQKKLQ-CABCVRRESA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000984160154 745967455 /nfs/dbraw/zinc/96/74/55/745967455.db2.gz FAQPPSBQUQKKLQ-CABCVRRESA-N 1 1 343.431 0.570 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3c[nH]nc3C)CC2)C1=O ZINC001001017956 745983196 /nfs/dbraw/zinc/98/31/96/745983196.db2.gz AUTQWQZWRHJBGT-INIZCTEOSA-N 1 1 343.431 0.867 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000984184020 746003696 /nfs/dbraw/zinc/00/36/96/746003696.db2.gz ILMGSLJOLFTLCU-MSOLQXFVSA-N 1 1 341.455 0.947 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000984184020 746003702 /nfs/dbraw/zinc/00/37/02/746003702.db2.gz ILMGSLJOLFTLCU-MSOLQXFVSA-N 1 1 341.455 0.947 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)[C@@H]2C1 ZINC000978186203 746031278 /nfs/dbraw/zinc/03/12/78/746031278.db2.gz HGFKKXZIUMWKIQ-XLAORIBOSA-N 1 1 343.471 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccncn1 ZINC000978233571 746067064 /nfs/dbraw/zinc/06/70/64/746067064.db2.gz BPXZXQXUTPWZEP-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccncn1 ZINC000978233571 746067070 /nfs/dbraw/zinc/06/70/70/746067070.db2.gz BPXZXQXUTPWZEP-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1 ZINC001001158888 746123988 /nfs/dbraw/zinc/12/39/88/746123988.db2.gz IYZWCLDMDKCCOB-SJORKVTESA-N 1 1 338.411 0.928 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](CCN2CCNC2=O)CC1 ZINC001001171083 746133825 /nfs/dbraw/zinc/13/38/25/746133825.db2.gz IZLJCNKPIKNFOA-CVEARBPZSA-N 1 1 348.447 0.351 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001001181836 746144340 /nfs/dbraw/zinc/14/43/40/746144340.db2.gz MZYBSVYYFLVDLP-HNNXBMFYSA-N 1 1 330.436 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cscn2)C1 ZINC001001183349 746145101 /nfs/dbraw/zinc/14/51/01/746145101.db2.gz QMHPMWGKGKIOTM-AWEZNQCLSA-N 1 1 332.429 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cscn2)C1 ZINC001001183349 746145105 /nfs/dbraw/zinc/14/51/05/746145105.db2.gz QMHPMWGKGKIOTM-AWEZNQCLSA-N 1 1 332.429 0.429 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001059349544 746149416 /nfs/dbraw/zinc/14/94/16/746149416.db2.gz JPVPMGSJRXOWAT-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cncn3C)C[C@H]21 ZINC000978285631 746149642 /nfs/dbraw/zinc/14/96/42/746149642.db2.gz VKRMQRKPMDQYQT-FJIDUMEYSA-N 1 1 341.459 0.312 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3c3ncccn3)[C@@H]2C1 ZINC000978286108 746150167 /nfs/dbraw/zinc/15/01/67/746150167.db2.gz WVNVQUJSXKRLHM-LVQVYYBASA-N 1 1 325.416 0.373 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001059349781 746157330 /nfs/dbraw/zinc/15/73/30/746157330.db2.gz MCLDTKHBXWKEBL-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001001222359 746178511 /nfs/dbraw/zinc/17/85/11/746178511.db2.gz NMSZFQAAVSRISU-INIZCTEOSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1CC ZINC001087679847 746180056 /nfs/dbraw/zinc/18/00/56/746180056.db2.gz LTASXUZHGRZLHF-QWHCGFSZSA-N 1 1 344.423 0.853 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4ccc(OC)nn43)[C@@H]2C1 ZINC000978367652 746248828 /nfs/dbraw/zinc/24/88/28/746248828.db2.gz YHJGCOAAYWIOJN-XYYAHUGASA-N 1 1 327.388 0.832 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001027618803 746274674 /nfs/dbraw/zinc/27/46/74/746274674.db2.gz QJSGFUFMDIPCDI-CQSZACIVSA-N 1 1 334.420 0.426 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC001001346906 746295085 /nfs/dbraw/zinc/29/50/85/746295085.db2.gz IEORZHSCAYJWPQ-WFASDCNBSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2cocn2)C1 ZINC000984342449 746311155 /nfs/dbraw/zinc/31/11/55/746311155.db2.gz DWVDGJIIHRUPFZ-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2cocn2)C1 ZINC000984342449 746311161 /nfs/dbraw/zinc/31/11/61/746311161.db2.gz DWVDGJIIHRUPFZ-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC#CCOC)C1)[NH+](C)C ZINC001112167703 746313796 /nfs/dbraw/zinc/31/37/96/746313796.db2.gz ZXLNMMKSKVFOAR-MCIONIFRSA-N 1 1 349.397 0.955 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1=O ZINC001027625779 746352705 /nfs/dbraw/zinc/35/27/05/746352705.db2.gz WZCIJZNVOXTZQA-QWHCGFSZSA-N 1 1 332.408 0.128 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H]2CC)nc1 ZINC001087802575 746363767 /nfs/dbraw/zinc/36/37/67/746363767.db2.gz YFVRDLYDSJQHKA-DOTOQJQBSA-N 1 1 338.415 0.937 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nncn4CC3)[C@@H]2C1 ZINC000978532863 746395704 /nfs/dbraw/zinc/39/57/04/746395704.db2.gz TUZBZCJCXQIZQO-YHUYYLMFSA-N 1 1 327.432 0.548 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001001456892 746395778 /nfs/dbraw/zinc/39/57/78/746395778.db2.gz QQWOYLUHMLKZRE-CQSZACIVSA-N 1 1 327.450 0.393 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001508774 746446803 /nfs/dbraw/zinc/44/68/03/746446803.db2.gz IFSQPZBQYGYGFZ-INIZCTEOSA-N 1 1 343.431 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)cc1 ZINC000978586505 746474923 /nfs/dbraw/zinc/47/49/23/746474923.db2.gz WVSHSHSDEZYHEL-ZJPYXAASSA-N 1 1 337.423 0.854 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)C3CC3)C2)C1=O ZINC001087853221 746504944 /nfs/dbraw/zinc/50/49/44/746504944.db2.gz DRCBPBRWBVLRNO-CVEARBPZSA-N 1 1 335.448 0.469 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c(C)ccn2C)C1 ZINC001001585649 746514842 /nfs/dbraw/zinc/51/48/42/746514842.db2.gz FFSUDNCNACRKSM-INIZCTEOSA-N 1 1 342.443 0.619 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c(C)ccn2C)C1 ZINC001001585649 746514844 /nfs/dbraw/zinc/51/48/44/746514844.db2.gz FFSUDNCNACRKSM-INIZCTEOSA-N 1 1 342.443 0.619 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC000978646199 746538560 /nfs/dbraw/zinc/53/85/60/746538560.db2.gz XKCHWIMLSYPNPI-ZQDZILKHSA-N 1 1 329.448 0.790 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001098518363 752104225 /nfs/dbraw/zinc/10/42/25/752104225.db2.gz MNSRLDNGKYTAJD-IAGOWNOFSA-N 1 1 349.475 0.313 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)nc1 ZINC001027656353 746596919 /nfs/dbraw/zinc/59/69/19/746596919.db2.gz NWOZGBYEIQOQEU-INIZCTEOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)nc1 ZINC001027656353 746596922 /nfs/dbraw/zinc/59/69/22/746596922.db2.gz NWOZGBYEIQOQEU-INIZCTEOSA-N 1 1 340.427 0.832 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC000978724104 746624653 /nfs/dbraw/zinc/62/46/53/746624653.db2.gz YUBQCXJXHBVDJZ-SUJAAXHWSA-N 1 1 331.420 0.200 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC000978724104 746624657 /nfs/dbraw/zinc/62/46/57/746624657.db2.gz YUBQCXJXHBVDJZ-SUJAAXHWSA-N 1 1 331.420 0.200 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)CC[C@@H]3C2)c1 ZINC001087925653 746670548 /nfs/dbraw/zinc/67/05/48/746670548.db2.gz XXMQAAPYHQZRGC-KGLIPLIRSA-N 1 1 341.415 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001001742045 746677522 /nfs/dbraw/zinc/67/75/22/746677522.db2.gz MWYUNFPDXBMIRI-STQMWFEESA-N 1 1 325.359 0.314 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001001742045 746677528 /nfs/dbraw/zinc/67/75/28/746677528.db2.gz MWYUNFPDXBMIRI-STQMWFEESA-N 1 1 325.359 0.314 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)CC[C@@H]3C2)[nH]1 ZINC001087938781 746688905 /nfs/dbraw/zinc/68/89/05/746688905.db2.gz KTMISWXVEFRTSE-DVOMOZLQSA-N 1 1 341.415 0.559 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc(C4CC4)[nH]c3=O)[C@@H]2C1 ZINC000978800727 746720350 /nfs/dbraw/zinc/72/03/50/746720350.db2.gz AUIKHYAAZBCKBR-XMQYKBBCSA-N 1 1 326.400 0.991 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@H](C)O)C[C@H]32)cc1 ZINC000978810463 746731801 /nfs/dbraw/zinc/73/18/01/746731801.db2.gz YLAMOFCXBVYYNL-XDKFSHSGSA-N 1 1 328.412 0.987 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c(C#N)cn1 ZINC001059414414 746762119 /nfs/dbraw/zinc/76/21/19/746762119.db2.gz JECVHPLOWDMJTO-DDWPSWQVSA-N 1 1 327.432 0.940 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000978855362 746785470 /nfs/dbraw/zinc/78/54/70/746785470.db2.gz LZMPJWVAAWQLGN-FDPKGLCPSA-N 1 1 347.459 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001001902794 746795417 /nfs/dbraw/zinc/79/54/17/746795417.db2.gz AEQXAAJJZLIMRQ-KRWDZBQOSA-N 1 1 342.443 0.917 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001001902794 746795419 /nfs/dbraw/zinc/79/54/19/746795419.db2.gz AEQXAAJJZLIMRQ-KRWDZBQOSA-N 1 1 342.443 0.917 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007150118 752129093 /nfs/dbraw/zinc/12/90/93/752129093.db2.gz GJPBDLAWNJUYNC-HOCLYGCPSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007150118 752129101 /nfs/dbraw/zinc/12/91/01/752129101.db2.gz GJPBDLAWNJUYNC-HOCLYGCPSA-N 1 1 341.415 0.867 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@@]2(C)C1 ZINC000982407347 752126470 /nfs/dbraw/zinc/12/64/70/752126470.db2.gz MVFYIDVMCDJRCU-OGWHTMIXSA-N 1 1 347.459 0.426 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@@H]2C1 ZINC001087985070 746855592 /nfs/dbraw/zinc/85/55/92/746855592.db2.gz BLEGNELWTINBDW-MCIONIFRSA-N 1 1 325.840 0.998 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@@H]2C1 ZINC001087985070 746855599 /nfs/dbraw/zinc/85/55/99/746855599.db2.gz BLEGNELWTINBDW-MCIONIFRSA-N 1 1 325.840 0.998 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001001974917 746856231 /nfs/dbraw/zinc/85/62/31/746856231.db2.gz FJKJNCLQHYLWNB-UHFFFAOYSA-N 1 1 346.435 0.137 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)[nH]1 ZINC001007150977 752130505 /nfs/dbraw/zinc/13/05/05/752130505.db2.gz IOKFDNDQCJBUBH-DZGCQCFKSA-N 1 1 343.431 0.997 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000984752704 746904494 /nfs/dbraw/zinc/90/44/94/746904494.db2.gz ZRKAFLUZUKBKDF-IJEWVQPXSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000978953304 746947598 /nfs/dbraw/zinc/94/75/98/746947598.db2.gz MTBHKAXXYZPCJT-GUTXKFCHSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000978953304 746947602 /nfs/dbraw/zinc/94/76/02/746947602.db2.gz MTBHKAXXYZPCJT-GUTXKFCHSA-N 1 1 329.404 0.132 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc(C4CC4)nn3)C[C@@H]2C1 ZINC001087992213 746951859 /nfs/dbraw/zinc/95/18/59/746951859.db2.gz IXLPPIZEJXYVSJ-CVEARBPZSA-N 1 1 327.432 0.959 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nc1 ZINC001059445983 746977412 /nfs/dbraw/zinc/97/74/12/746977412.db2.gz HRVTVJWWJDRJLX-FPCVCCKLSA-N 1 1 341.415 0.876 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002125374 747006413 /nfs/dbraw/zinc/00/64/13/747006413.db2.gz JJQIWNQALOAPBB-IAGOWNOFSA-N 1 1 348.491 0.553 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002125374 747006421 /nfs/dbraw/zinc/00/64/21/747006421.db2.gz JJQIWNQALOAPBB-IAGOWNOFSA-N 1 1 348.491 0.553 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@@H]2C1 ZINC001088010101 747049408 /nfs/dbraw/zinc/04/94/08/747049408.db2.gz JEDDWYWPAMOFQF-PMPSAXMXSA-N 1 1 342.443 0.871 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)COCC4)C[C@@H]2C1 ZINC001088013131 747060487 /nfs/dbraw/zinc/06/04/87/747060487.db2.gz RGYVJTXSGVIHTR-CABCVRRESA-N 1 1 328.416 0.831 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)C2CCOCC2)C1=O ZINC001027719800 747068638 /nfs/dbraw/zinc/06/86/38/747068638.db2.gz LLGWXIJVWCNZFP-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002245656 747121689 /nfs/dbraw/zinc/12/16/89/747121689.db2.gz GZQASVZFUCCASL-MIGQKNRLSA-N 1 1 335.448 0.492 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cncc(C(N)=O)c3)[C@@H]2C1 ZINC000979075292 747125177 /nfs/dbraw/zinc/12/51/77/747125177.db2.gz ORPCQZMOBQTJIZ-ZSOGYDGISA-N 1 1 334.807 0.841 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(-n4cnnn4)c3)[C@@H]2C1 ZINC000979082855 747147862 /nfs/dbraw/zinc/14/78/62/747147862.db2.gz IRMNDLFBSNJWCM-OSYLJGHBSA-N 1 1 336.399 0.593 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nnc(C)n4C3)[C@@H]2C1 ZINC000979100068 747177000 /nfs/dbraw/zinc/17/70/00/747177000.db2.gz HZPSFSCSQWDNMU-FPCVCCKLSA-N 1 1 327.432 0.466 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029508404 747201973 /nfs/dbraw/zinc/20/19/73/747201973.db2.gz BDVBJXUMUYKQRH-QEOTZNIISA-N 1 1 347.459 0.921 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC001002401207 747299315 /nfs/dbraw/zinc/29/93/15/747299315.db2.gz FDKPKOLXSAKACW-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC001002401207 747299321 /nfs/dbraw/zinc/29/93/21/747299321.db2.gz FDKPKOLXSAKACW-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccon2)[C@@H]1CC ZINC000985047580 747300232 /nfs/dbraw/zinc/30/02/32/747300232.db2.gz MGCJEUKZPOHTBI-IMJJTQAJSA-N 1 1 344.415 0.882 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccon2)[C@@H]1CC ZINC000985047580 747300236 /nfs/dbraw/zinc/30/02/36/747300236.db2.gz MGCJEUKZPOHTBI-IMJJTQAJSA-N 1 1 344.415 0.882 20 30 ECEDMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001088087518 747330117 /nfs/dbraw/zinc/33/01/17/747330117.db2.gz ZKRMFGDMVLIYOE-CABCVRRESA-N 1 1 329.375 0.443 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C)no2)C1=O ZINC001027751998 747408325 /nfs/dbraw/zinc/40/83/25/747408325.db2.gz SHZVZYFMURVRAZ-KGLIPLIRSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C)no2)C1=O ZINC001027751998 747408326 /nfs/dbraw/zinc/40/83/26/747408326.db2.gz SHZVZYFMURVRAZ-KGLIPLIRSA-N 1 1 332.404 0.964 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)Cc4ccccc43)C[C@@H]2C1 ZINC001088120607 747433915 /nfs/dbraw/zinc/43/39/15/747433915.db2.gz NBOBRLVWWVDHBF-SJORKVTESA-N 1 1 337.423 0.989 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088125981 747439843 /nfs/dbraw/zinc/43/98/43/747439843.db2.gz JBTHWHYVSUXODZ-PMPSAXMXSA-N 1 1 338.473 0.615 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088136874 747472124 /nfs/dbraw/zinc/47/21/24/747472124.db2.gz LQGTTWZCBZKQSR-CVYDXHPNSA-N 1 1 349.475 0.836 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCOCC3)C[C@@H]2C1 ZINC001088140462 747490780 /nfs/dbraw/zinc/49/07/80/747490780.db2.gz MXDLWQBIXHKYHH-SJORKVTESA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCOCC3)C[C@@H]2C1 ZINC001088140655 747490821 /nfs/dbraw/zinc/49/08/21/747490821.db2.gz XGKHDPZQIAZVRB-SJORKVTESA-N 1 1 333.476 0.901 20 30 ECEDMO C[C@@H]([NH2+]Cc1nncs1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979264619 747492916 /nfs/dbraw/zinc/49/29/16/747492916.db2.gz FYQOYPWFEBHCOS-ZWNOBZJWSA-N 1 1 346.416 0.757 20 30 ECEDMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979270778 747510719 /nfs/dbraw/zinc/51/07/19/747510719.db2.gz NVYNUXZNHWRIBP-ABAIWWIYSA-N 1 1 343.391 0.034 20 30 ECEDMO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)[nH]1 ZINC000979291825 747524864 /nfs/dbraw/zinc/52/48/64/747524864.db2.gz KQOAVOCWTZDUPK-HZMBPMFUSA-N 1 1 343.391 0.332 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001088149567 747526070 /nfs/dbraw/zinc/52/60/70/747526070.db2.gz KHMMHUAYZUOCHF-OLZOCXBDSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cncn4)n3)C[C@@H]2C1 ZINC001088155160 747544554 /nfs/dbraw/zinc/54/45/54/747544554.db2.gz ACECSQKZKDCATQ-CABCVRRESA-N 1 1 336.399 0.689 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001059505363 747578263 /nfs/dbraw/zinc/57/82/63/747578263.db2.gz MYTPYQYBCOGTFO-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029566670 747601510 /nfs/dbraw/zinc/60/15/10/747601510.db2.gz HVBYFIJOIMNLLR-FGTMMUONSA-N 1 1 337.423 0.774 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000979324621 747614338 /nfs/dbraw/zinc/61/43/38/747614338.db2.gz JSJQHFSBWQIWNI-UUAJXVIYSA-N 1 1 349.475 0.930 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979328370 747620621 /nfs/dbraw/zinc/62/06/21/747620621.db2.gz HFWMLURCOYBWKN-ZFWWWQNUSA-N 1 1 331.420 0.417 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000979332545 747656513 /nfs/dbraw/zinc/65/65/13/747656513.db2.gz WAEGDUHEFGXGSK-LJIZCISZSA-N 1 1 335.448 0.540 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C[C@@H]2C1 ZINC001088210436 747744752 /nfs/dbraw/zinc/74/47/52/747744752.db2.gz LBEMAODSWAELQN-ZACQAIPSSA-N 1 1 341.459 0.953 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(C(N)=O)cc3)C[C@@H]2C1 ZINC001088216618 747758296 /nfs/dbraw/zinc/75/82/96/747758296.db2.gz QUKYWYFGQHPXHL-SJORKVTESA-N 1 1 325.412 0.742 20 30 ECEDMO CNC(=O)C[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001088230583 747783808 /nfs/dbraw/zinc/78/38/08/747783808.db2.gz UHTXGMQJMULSAO-ZFWWWQNUSA-N 1 1 336.436 0.222 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001088230583 747783813 /nfs/dbraw/zinc/78/38/13/747783813.db2.gz UHTXGMQJMULSAO-ZFWWWQNUSA-N 1 1 336.436 0.222 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3nnn(C)c3C)CC2)C1 ZINC001088231348 747790740 /nfs/dbraw/zinc/79/07/40/747790740.db2.gz OVHGRENIGIOVDS-INIZCTEOSA-N 1 1 345.447 0.700 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001088233605 747794883 /nfs/dbraw/zinc/79/48/83/747794883.db2.gz VJUULILYWGOJRW-CABCVRRESA-N 1 1 335.404 0.058 20 30 ECEDMO Cn1cnnc1C[N@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985363936 747799195 /nfs/dbraw/zinc/79/91/95/747799195.db2.gz ZYROQFOMSRRKQS-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1cnnc1C[N@@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985363936 747799200 /nfs/dbraw/zinc/79/92/00/747799200.db2.gz ZYROQFOMSRRKQS-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC001088233950 747800080 /nfs/dbraw/zinc/80/00/80/747800080.db2.gz DRQMNJNJPSMFKI-OAHLLOKOSA-N 1 1 335.448 0.461 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 ZINC001088234293 747801681 /nfs/dbraw/zinc/80/16/81/747801681.db2.gz NINFJWQXSVGUIG-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 ZINC001088234292 747802522 /nfs/dbraw/zinc/80/25/22/747802522.db2.gz NINFJWQXSVGUIG-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO C[N@@H+](CCn1cncn1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985368816 747816631 /nfs/dbraw/zinc/81/66/31/747816631.db2.gz WUPQSLJOTAGXJH-UHFFFAOYSA-N 1 1 327.392 0.714 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001088236755 747828325 /nfs/dbraw/zinc/82/83/25/747828325.db2.gz BYPAIEAATPPVBY-HNNXBMFYSA-N 1 1 346.435 0.177 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2cncs2)C1 ZINC001002834503 747855003 /nfs/dbraw/zinc/85/50/03/747855003.db2.gz FEFUECQDKJDBNQ-HNNXBMFYSA-N 1 1 346.456 0.358 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2cncs2)C1 ZINC001002834503 747855011 /nfs/dbraw/zinc/85/50/11/747855011.db2.gz FEFUECQDKJDBNQ-HNNXBMFYSA-N 1 1 346.456 0.358 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cncnc3)CC2)C1=O ZINC000985394608 747895921 /nfs/dbraw/zinc/89/59/21/747895921.db2.gz FDEQORKSNYBRSO-INIZCTEOSA-N 1 1 343.431 0.800 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)n1C ZINC000988504876 752221760 /nfs/dbraw/zinc/22/17/60/752221760.db2.gz ZUVVEUAPQMJLGC-DGCLKSJQSA-N 1 1 341.419 0.970 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)C3CCOCC3)C2)C1=O ZINC001029623158 747915223 /nfs/dbraw/zinc/91/52/23/747915223.db2.gz JPNGANFQHSXINK-WBVHZDCISA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3n[nH]cc3F)C2)nn1 ZINC001098723650 747916465 /nfs/dbraw/zinc/91/64/65/747916465.db2.gz ZMHCZWOLXLBHCD-LBPRGKRZSA-N 1 1 333.371 0.893 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cn(C)nn3)CC2)C1=O ZINC000985415010 747939461 /nfs/dbraw/zinc/93/94/61/747939461.db2.gz MYMGBCISHFTEMS-OAHLLOKOSA-N 1 1 346.435 0.138 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000985430174 747989572 /nfs/dbraw/zinc/98/95/72/747989572.db2.gz XVAABVIAWXUAAC-ZDUSSCGKSA-N 1 1 329.404 0.319 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979613451 748121650 /nfs/dbraw/zinc/12/16/50/748121650.db2.gz PHKBRKLJLZSNNU-GBOPCIDUSA-N 1 1 343.431 0.709 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2nccnc2C)CC1 ZINC001003056277 748125667 /nfs/dbraw/zinc/12/56/67/748125667.db2.gz OCXKUSOFIGFANZ-SFHVURJKSA-N 1 1 341.459 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)CC(C)(C)O)C2)C1=O ZINC001029721587 748154530 /nfs/dbraw/zinc/15/45/30/748154530.db2.gz BLOXKCSZQOJFMY-HUUCEWRRSA-N 1 1 337.464 0.715 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979651542 748160000 /nfs/dbraw/zinc/16/00/00/748160000.db2.gz VWEKDVDOWIEVJL-NOLJZWGESA-N 1 1 343.431 0.995 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001029738116 748193527 /nfs/dbraw/zinc/19/35/27/748193527.db2.gz UJLGNOCTVORRBG-INIZCTEOSA-N 1 1 339.403 0.525 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]2C1 ZINC000979714861 748272549 /nfs/dbraw/zinc/27/25/49/748272549.db2.gz QDHIMHNPTKODPP-ZNMIVQPWSA-N 1 1 345.443 0.621 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001003203498 748287550 /nfs/dbraw/zinc/28/75/50/748287550.db2.gz LYOUHOREGHLBTG-UHFFFAOYSA-N 1 1 328.844 0.094 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(CCOC)nn3)C[C@H]2C1 ZINC000979724829 748291686 /nfs/dbraw/zinc/29/16/86/748291686.db2.gz QIPQQHGRZWINFN-JYJNAYRXSA-N 1 1 345.447 0.778 20 30 ECEDMO Cn1nnc(C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC001003452728 748569377 /nfs/dbraw/zinc/56/93/77/748569377.db2.gz KLYMJHBGDVALJB-UHFFFAOYSA-N 1 1 343.366 0.615 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3c[nH+]cc3C)C2)nc1 ZINC001003472149 748589798 /nfs/dbraw/zinc/58/97/98/748589798.db2.gz WVJQPFWUWFCIFH-UHFFFAOYSA-N 1 1 337.383 0.456 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001059587370 748616516 /nfs/dbraw/zinc/61/65/16/748616516.db2.gz RQBYFRWCAIOJIU-NTZNESFSSA-N 1 1 335.433 0.713 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001059587370 748616520 /nfs/dbraw/zinc/61/65/20/748616520.db2.gz RQBYFRWCAIOJIU-NTZNESFSSA-N 1 1 335.433 0.713 20 30 ECEDMO C=C(Br)C[N@@H+](C)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000985586298 748654260 /nfs/dbraw/zinc/65/42/60/748654260.db2.gz XOKLDYWSXQZVLX-UHFFFAOYSA-N 1 1 343.229 0.655 20 30 ECEDMO C=C(Br)C[N@H+](C)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000985586298 748654261 /nfs/dbraw/zinc/65/42/61/748654261.db2.gz XOKLDYWSXQZVLX-UHFFFAOYSA-N 1 1 343.229 0.655 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cnn(C)n3)C2)c1 ZINC001029834339 748665916 /nfs/dbraw/zinc/66/59/16/748665916.db2.gz CUHKFXFGKYKBOJ-HNNXBMFYSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cnn(C)n3)C2)c1 ZINC001029834339 748665919 /nfs/dbraw/zinc/66/59/19/748665919.db2.gz CUHKFXFGKYKBOJ-HNNXBMFYSA-N 1 1 338.415 0.786 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)c3n[nH]cc3F)CC2)C1=O ZINC001003576440 748698535 /nfs/dbraw/zinc/69/85/35/748698535.db2.gz XYPVZQYLYXNFPI-CYBMUJFWSA-N 1 1 335.383 0.530 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001003601222 748718274 /nfs/dbraw/zinc/71/82/74/748718274.db2.gz GGTKJHMTPJRFJJ-JTDSTZFVSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001003601222 748718280 /nfs/dbraw/zinc/71/82/80/748718280.db2.gz GGTKJHMTPJRFJJ-JTDSTZFVSA-N 1 1 329.444 0.849 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 ZINC000979983178 748777286 /nfs/dbraw/zinc/77/72/86/748777286.db2.gz TXXVSDVOQJNBCJ-BBWFWOEESA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)OC ZINC001003675215 748783737 /nfs/dbraw/zinc/78/37/37/748783737.db2.gz RYZVZZXDBCPSRD-OTJKEOIZSA-N 1 1 333.432 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)OC ZINC001003675215 748783740 /nfs/dbraw/zinc/78/37/40/748783740.db2.gz RYZVZZXDBCPSRD-OTJKEOIZSA-N 1 1 333.432 0.367 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059610706 748798036 /nfs/dbraw/zinc/79/80/36/748798036.db2.gz LAIWJRYCMVAMQW-HZPDHXFCSA-N 1 1 335.448 0.331 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059610706 748798043 /nfs/dbraw/zinc/79/80/43/748798043.db2.gz LAIWJRYCMVAMQW-HZPDHXFCSA-N 1 1 335.448 0.331 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000985686372 748868091 /nfs/dbraw/zinc/86/80/91/748868091.db2.gz HWDNNMPDQFEWQZ-UHFFFAOYSA-N 1 1 334.420 0.197 20 30 ECEDMO N#CCN[C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001088350514 748871348 /nfs/dbraw/zinc/87/13/48/748871348.db2.gz ZFKLZYFAMZNZPV-NDUQDZPOSA-N 1 1 332.448 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nccs2)C1 ZINC001003839548 748961576 /nfs/dbraw/zinc/96/15/76/748961576.db2.gz CRSSMUFFANFGDZ-ZDUSSCGKSA-N 1 1 332.429 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nccs2)C1 ZINC001003839548 748961583 /nfs/dbraw/zinc/96/15/83/748961583.db2.gz CRSSMUFFANFGDZ-ZDUSSCGKSA-N 1 1 332.429 0.429 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCN(C)C3=O)C2)nn1 ZINC001029860197 748963452 /nfs/dbraw/zinc/96/34/52/748963452.db2.gz NZENNMPHAVXSEG-UKRRQHHQSA-N 1 1 346.435 0.089 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027878488 748982539 /nfs/dbraw/zinc/98/25/39/748982539.db2.gz CMDFJGKHZSVVIZ-UONOGXRCSA-N 1 1 329.404 0.367 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)nn1 ZINC001029862432 749016456 /nfs/dbraw/zinc/01/64/56/749016456.db2.gz PWVUCTGMTISKSQ-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985757333 749023164 /nfs/dbraw/zinc/02/31/64/749023164.db2.gz OONPYTDABBDPLF-UHFFFAOYSA-N 1 1 330.388 0.115 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(C)c(C)nn(C)c3=O)C[C@H]2C1 ZINC000980153996 749079145 /nfs/dbraw/zinc/07/91/45/749079145.db2.gz IMSZDINIHUJMSE-JYJNAYRXSA-N 1 1 342.443 0.861 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001059646098 749094343 /nfs/dbraw/zinc/09/43/43/749094343.db2.gz MJWPKMAWACHIMX-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001059646100 749094352 /nfs/dbraw/zinc/09/43/52/749094352.db2.gz MJWPKMAWACHIMX-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980164067 749096350 /nfs/dbraw/zinc/09/63/50/749096350.db2.gz NOSHFZMHVHAXHJ-ZNMIVQPWSA-N 1 1 344.415 0.189 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3ccn(C)n3)CC2)C1=O ZINC000985787073 749102660 /nfs/dbraw/zinc/10/26/60/749102660.db2.gz IDJACPZJDZORLN-MRXNPFEDSA-N 1 1 345.447 0.743 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001059648736 749111217 /nfs/dbraw/zinc/11/12/17/749111217.db2.gz YNIABKKLCDGNNN-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001059654539 749150809 /nfs/dbraw/zinc/15/08/09/749150809.db2.gz JLFUYAWJNDZJJW-MBNYWOFBSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001059654539 749150815 /nfs/dbraw/zinc/15/08/15/749150815.db2.gz JLFUYAWJNDZJJW-MBNYWOFBSA-N 1 1 330.392 0.128 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1nc(C)cc(C#N)n1 ZINC001126255639 749151817 /nfs/dbraw/zinc/15/18/17/749151817.db2.gz ZUAAIXGENNCZMQ-HNNXBMFYSA-N 1 1 346.435 0.320 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001004056931 749166280 /nfs/dbraw/zinc/16/62/80/749166280.db2.gz XYYCKEBDNSEUAU-QGZVFWFLSA-N 1 1 325.412 0.680 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]2C1 ZINC000980207770 749186515 /nfs/dbraw/zinc/18/65/15/749186515.db2.gz LDBYWYQUSFXCNB-QJPTWQEYSA-N 1 1 348.403 0.913 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)ccc3=O)C[C@H]2C1 ZINC000980205095 749199305 /nfs/dbraw/zinc/19/93/05/749199305.db2.gz APQBZVIIRRWRQY-YESZJQIVSA-N 1 1 342.443 0.792 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cnn(CCOC)c3)C[C@@H]2C1 ZINC000980234932 749217846 /nfs/dbraw/zinc/21/78/46/749217846.db2.gz YGOXHUJETKZZIF-UXLLHSPISA-N 1 1 330.432 0.993 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 ZINC000980245857 749233508 /nfs/dbraw/zinc/23/35/08/749233508.db2.gz OZXZHXIRZJFMQI-ZNMIVQPWSA-N 1 1 348.447 0.673 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(=O)n(C)n3)C[C@H]2C1 ZINC000980237529 749240535 /nfs/dbraw/zinc/24/05/35/749240535.db2.gz RGVKDHWPOHVYRK-SOUVJXGZSA-N 1 1 328.416 0.634 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC000980293814 749317330 /nfs/dbraw/zinc/31/73/30/749317330.db2.gz LSDRCBTZYXIENC-ZIAGYGMSSA-N 1 1 329.828 0.519 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC000980293814 749317334 /nfs/dbraw/zinc/31/73/34/749317334.db2.gz LSDRCBTZYXIENC-ZIAGYGMSSA-N 1 1 329.828 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC000980313892 749353796 /nfs/dbraw/zinc/35/37/96/749353796.db2.gz VAHIANVPUGEZAI-HUUCEWRRSA-N 1 1 344.415 0.720 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001004445721 749507361 /nfs/dbraw/zinc/50/73/61/749507361.db2.gz AVHXRPQWJHOMDG-INIZCTEOSA-N 1 1 338.473 0.757 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000986097456 749530846 /nfs/dbraw/zinc/53/08/46/749530846.db2.gz BDGVMQKZAFDEJN-WCQYABFASA-N 1 1 342.407 0.676 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cnnn2)CC1 ZINC001004586075 749656797 /nfs/dbraw/zinc/65/67/97/749656797.db2.gz OXTZBSHSICUAOZ-INIZCTEOSA-N 1 1 330.436 0.790 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1noc(CC)n1 ZINC001027942515 749665540 /nfs/dbraw/zinc/66/55/40/749665540.db2.gz DIONTDCOIVQRQA-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1noc(CC)n1 ZINC001027942515 749665546 /nfs/dbraw/zinc/66/55/46/749665546.db2.gz DIONTDCOIVQRQA-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001004594582 749666506 /nfs/dbraw/zinc/66/65/06/749666506.db2.gz ALFQUDWGHLCDJC-OAHLLOKOSA-N 1 1 348.447 0.769 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001004597537 749668930 /nfs/dbraw/zinc/66/89/30/749668930.db2.gz RYIATNHFNVPUDN-HNNXBMFYSA-N 1 1 346.431 0.217 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ncccn1 ZINC001027943988 749677586 /nfs/dbraw/zinc/67/75/86/749677586.db2.gz RGCGTPYTTHZPIS-CVEARBPZSA-N 1 1 327.432 0.655 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ncccn1 ZINC001027943988 749677591 /nfs/dbraw/zinc/67/75/91/749677591.db2.gz RGCGTPYTTHZPIS-CVEARBPZSA-N 1 1 327.432 0.655 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)[C@@H]1CCCNC1=O ZINC001029952679 750054885 /nfs/dbraw/zinc/05/48/85/750054885.db2.gz HDTJWOQCJAVBDQ-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058846794 750102670 /nfs/dbraw/zinc/10/26/70/750102670.db2.gz GARBUEWOVKNUPH-MRXNPFEDSA-N 1 1 337.464 0.459 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)c3ncc[nH]3)CC2)C1=O ZINC001029963592 750109771 /nfs/dbraw/zinc/10/97/71/750109771.db2.gz BHOUPZUCJTYTJP-HNNXBMFYSA-N 1 1 345.447 0.981 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001058850276 750192032 /nfs/dbraw/zinc/19/20/32/750192032.db2.gz KDEGXVRFRVWJGU-ZDUSSCGKSA-N 1 1 326.441 0.061 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000980834087 750238092 /nfs/dbraw/zinc/23/80/92/750238092.db2.gz NNIDSGZNWFFCJN-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCOC3CCC3)nn2)C1 ZINC001098634182 750262854 /nfs/dbraw/zinc/26/28/54/750262854.db2.gz PLGXCDPXPBSXKJ-UKRRQHHQSA-N 1 1 346.435 0.870 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[N@@H+](C[C@H]3CCNC(=O)CC3)CC2)c1 ZINC000980917789 750353445 /nfs/dbraw/zinc/35/34/45/750353445.db2.gz YYYPYWIJGGOFTB-CQSZACIVSA-N 1 1 343.431 0.951 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001005225015 750398409 /nfs/dbraw/zinc/39/84/09/750398409.db2.gz LWALQYJSQABHAU-UHFFFAOYSA-N 1 1 329.404 0.655 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(COC)n3)C2)nn1 ZINC001105351562 750463500 /nfs/dbraw/zinc/46/35/00/750463500.db2.gz ATUUUMDKEYZVJR-UHFFFAOYSA-N 1 1 332.364 0.385 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)OCC(=O)N4)[C@@H]2C1 ZINC001075886297 750491663 /nfs/dbraw/zinc/49/16/63/750491663.db2.gz LCFYGBPYBQHPNS-DZGCQCFKSA-N 1 1 325.368 0.797 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cn(CC)nn3)[C@@H]2C)nn1 ZINC000987135787 750524060 /nfs/dbraw/zinc/52/40/60/750524060.db2.gz RLCBAEYWEMVKLB-GXTWGEPZSA-N 1 1 344.423 0.468 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)NC1=O ZINC001028075944 750525068 /nfs/dbraw/zinc/52/50/68/750525068.db2.gz GCEAQUQRKGCGFW-DLBZAZTESA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2)NC1=O ZINC001028075944 750525070 /nfs/dbraw/zinc/52/50/70/750525070.db2.gz GCEAQUQRKGCGFW-DLBZAZTESA-N 1 1 340.427 0.642 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nccc(C)n3)[C@H]2C)nn1 ZINC000987132247 750525400 /nfs/dbraw/zinc/52/54/00/750525400.db2.gz HNOXYURXCHFCKG-KGLIPLIRSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncccn3)[C@H]2C)nn1 ZINC000987137416 750532843 /nfs/dbraw/zinc/53/28/43/750532843.db2.gz YUZPQTGFNZQOBU-OLZOCXBDSA-N 1 1 327.392 0.647 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088550210 750640079 /nfs/dbraw/zinc/64/00/79/750640079.db2.gz RSSBIHSQVWZUBR-BYCMXARLSA-N 1 1 328.372 0.746 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088550224 750640510 /nfs/dbraw/zinc/64/05/10/750640510.db2.gz SGEWSBZDNSNXJF-WKPIXPDZSA-N 1 1 346.362 0.885 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088550224 750640512 /nfs/dbraw/zinc/64/05/12/750640512.db2.gz SGEWSBZDNSNXJF-WKPIXPDZSA-N 1 1 346.362 0.885 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cnc(C)[nH]2)C1 ZINC001005817174 750676960 /nfs/dbraw/zinc/67/69/60/750676960.db2.gz ZJVJZKDFZFOXOH-WBMJQRKESA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cnc(C)[nH]2)C1 ZINC001005817174 750676963 /nfs/dbraw/zinc/67/69/63/750676963.db2.gz ZJVJZKDFZFOXOH-WBMJQRKESA-N 1 1 343.431 0.392 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001005848692 750723629 /nfs/dbraw/zinc/72/36/29/750723629.db2.gz PLOPWXFORSFSDJ-HIFRSBDPSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001005848692 750723635 /nfs/dbraw/zinc/72/36/35/750723635.db2.gz PLOPWXFORSFSDJ-HIFRSBDPSA-N 1 1 337.464 0.882 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001005942523 750826753 /nfs/dbraw/zinc/82/67/53/750826753.db2.gz DIZDKINDEUVXCF-VXGBXAGGSA-N 1 1 329.404 0.415 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)[C@H]1CNC(=O)N1 ZINC001028109034 750894127 /nfs/dbraw/zinc/89/41/27/750894127.db2.gz CGBQQXKFTBGWQH-JKSUJKDBSA-N 1 1 344.390 0.439 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)[C@H]1CNC(=O)N1 ZINC001028109034 750894134 /nfs/dbraw/zinc/89/41/34/750894134.db2.gz CGBQQXKFTBGWQH-JKSUJKDBSA-N 1 1 344.390 0.439 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000981625190 750897930 /nfs/dbraw/zinc/89/79/30/750897930.db2.gz JRHYEECDHTWOSG-LZWOXQAQSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000981625190 750897938 /nfs/dbraw/zinc/89/79/38/750897938.db2.gz JRHYEECDHTWOSG-LZWOXQAQSA-N 1 1 343.431 0.522 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)c(F)c1 ZINC001028109603 750899930 /nfs/dbraw/zinc/89/99/30/750899930.db2.gz LIEXWHTYIFGMKE-DZGCQCFKSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)c(F)c1 ZINC001028109603 750899936 /nfs/dbraw/zinc/89/99/36/750899936.db2.gz LIEXWHTYIFGMKE-DZGCQCFKSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)c4ccn[nH]4)C3)C2)C1=O ZINC000981637208 750913086 /nfs/dbraw/zinc/91/30/86/750913086.db2.gz QNIZXLPSXSIZPW-OAHLLOKOSA-N 1 1 343.431 0.735 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC3(CN(C(=O)c4cc[nH]n4)C3)C2)C1=O ZINC000981637208 750913089 /nfs/dbraw/zinc/91/30/89/750913089.db2.gz QNIZXLPSXSIZPW-OAHLLOKOSA-N 1 1 343.431 0.735 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)c4cc[nH]n4)C3)C2)C1=O ZINC000981637208 750913092 /nfs/dbraw/zinc/91/30/92/750913092.db2.gz QNIZXLPSXSIZPW-OAHLLOKOSA-N 1 1 343.431 0.735 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@H]1CNC(=O)N1 ZINC001028111948 750917314 /nfs/dbraw/zinc/91/73/14/750917314.db2.gz ZLXCHZBTEBMQMS-HZPDHXFCSA-N 1 1 326.400 0.300 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@H]1CNC(=O)N1 ZINC001028111948 750917317 /nfs/dbraw/zinc/91/73/17/750917317.db2.gz ZLXCHZBTEBMQMS-HZPDHXFCSA-N 1 1 326.400 0.300 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cnnn2C)CC1 ZINC001006016581 750927419 /nfs/dbraw/zinc/92/74/19/750927419.db2.gz ORJTXTNEDXTXAB-CVEARBPZSA-N 1 1 333.436 0.829 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC000981669791 750949089 /nfs/dbraw/zinc/94/90/89/750949089.db2.gz WZUGUKYAEMSFPM-CABCVRRESA-N 1 1 331.420 0.328 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000981686569 750958986 /nfs/dbraw/zinc/95/89/86/750958986.db2.gz UBPIDNTWESPBDT-AWEZNQCLSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000981686569 750958988 /nfs/dbraw/zinc/95/89/88/750958988.db2.gz UBPIDNTWESPBDT-AWEZNQCLSA-N 1 1 327.856 0.994 20 30 ECEDMO NC(=O)CC(=O)N1CC2(C1)CCC[N@@H+](CC#Cc1ccccc1)C2 ZINC000981679010 750962794 /nfs/dbraw/zinc/96/27/94/750962794.db2.gz HNGCSZYMKIVOCM-UHFFFAOYSA-N 1 1 325.412 0.838 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)CCn3ccnc3)CC2)C1=O ZINC000981716594 750999769 /nfs/dbraw/zinc/99/97/69/750999769.db2.gz FYFGQIPYSVUOCO-INIZCTEOSA-N 1 1 345.447 0.594 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)CCn3ccnc3)CC2)C1=O ZINC000981716594 750999773 /nfs/dbraw/zinc/99/97/73/750999773.db2.gz FYFGQIPYSVUOCO-INIZCTEOSA-N 1 1 345.447 0.594 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)C2CC[NH+](CC(N)=O)CC2)cc1 ZINC001006099333 751015032 /nfs/dbraw/zinc/01/50/32/751015032.db2.gz XRAKTXXWZOQCTO-UHFFFAOYSA-N 1 1 329.400 0.720 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001006110426 751023852 /nfs/dbraw/zinc/02/38/52/751023852.db2.gz CDYFRJWEJJLSOG-NWDGAFQWSA-N 1 1 329.404 0.415 20 30 ECEDMO C#CCC[NH+]1CCC(N(C)C(=O)[C@]2(C)CCCS2(=O)=O)CC1 ZINC001006118303 751036868 /nfs/dbraw/zinc/03/68/68/751036868.db2.gz ISGIWAICFYQVPG-INIZCTEOSA-N 1 1 326.462 0.900 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3nnc(C)o3)[C@H]2C)C1=O ZINC001088553418 751050352 /nfs/dbraw/zinc/05/03/52/751050352.db2.gz FUBGDVHTKYSGGY-XBFCOCLRSA-N 1 1 347.419 0.286 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3nnc(C)o3)[C@H]2C)C1=O ZINC001088553418 751050354 /nfs/dbraw/zinc/05/03/54/751050354.db2.gz FUBGDVHTKYSGGY-XBFCOCLRSA-N 1 1 347.419 0.286 20 30 ECEDMO CC#CCN1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783671 751103723 /nfs/dbraw/zinc/10/37/23/751103723.db2.gz DNUQVXBSOWHNDS-IAGOWNOFSA-N 1 1 331.460 0.797 20 30 ECEDMO CC#CCN1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783671 751103724 /nfs/dbraw/zinc/10/37/24/751103724.db2.gz DNUQVXBSOWHNDS-IAGOWNOFSA-N 1 1 331.460 0.797 20 30 ECEDMO CC#CCN1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783750 751103890 /nfs/dbraw/zinc/10/38/90/751103890.db2.gz DNUQVXBSOWHNDS-SJORKVTESA-N 1 1 331.460 0.797 20 30 ECEDMO CC#CCN1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783750 751103892 /nfs/dbraw/zinc/10/38/92/751103892.db2.gz DNUQVXBSOWHNDS-SJORKVTESA-N 1 1 331.460 0.797 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](Cn3cccn3)N(C)C)C2)C1 ZINC000981812238 751132915 /nfs/dbraw/zinc/13/29/15/751132915.db2.gz KZSPYYNKMNOWON-INIZCTEOSA-N 1 1 331.464 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCNC2=O)c1 ZINC001028127822 751134268 /nfs/dbraw/zinc/13/42/68/751134268.db2.gz XTIHJGYIOFECHG-INIZCTEOSA-N 1 1 341.415 0.282 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001028128100 751136526 /nfs/dbraw/zinc/13/65/26/751136526.db2.gz ANZSDTIIVQUITJ-NSHDSACASA-N 1 1 341.437 0.218 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC001098514407 751186529 /nfs/dbraw/zinc/18/65/29/751186529.db2.gz SQQZRHQUQXCVSJ-HZPDHXFCSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cnc4ccc(OC)nn43)C2)C1 ZINC000981853381 751200871 /nfs/dbraw/zinc/20/08/71/751200871.db2.gz NEAHGMQOXFDIKA-UHFFFAOYSA-N 1 1 339.399 0.909 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000987822517 751225480 /nfs/dbraw/zinc/22/54/80/751225480.db2.gz FPKYOGIMCOYPKL-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001077456874 762107384 /nfs/dbraw/zinc/10/73/84/762107384.db2.gz BANILUWFCJRBLZ-BPLDGKMQSA-N 1 1 334.420 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C#CC2CC2)C1 ZINC001006315351 751235382 /nfs/dbraw/zinc/23/53/82/751235382.db2.gz GGJKDEIZVUFKNZ-YOEHRIQHSA-N 1 1 327.428 0.461 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C#CC2CC2)C1 ZINC001006315351 751235384 /nfs/dbraw/zinc/23/53/84/751235384.db2.gz GGJKDEIZVUFKNZ-YOEHRIQHSA-N 1 1 327.428 0.461 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc[nH]c2C)C1 ZINC001006318977 751240809 /nfs/dbraw/zinc/24/08/09/751240809.db2.gz KKEWUOJAUFNASP-GUYCJALGSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc[nH]c2C)C1 ZINC001006318977 751240814 /nfs/dbraw/zinc/24/08/14/751240814.db2.gz KKEWUOJAUFNASP-GUYCJALGSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc(C)no2)C1 ZINC001006323591 751245634 /nfs/dbraw/zinc/24/56/34/751245634.db2.gz XVPPQXAFBFUYPK-HIFRSBDPSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc(C)no2)C1 ZINC001006323591 751245636 /nfs/dbraw/zinc/24/56/36/751245636.db2.gz XVPPQXAFBFUYPK-HIFRSBDPSA-N 1 1 344.415 0.657 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccn[nH]3)CCO2)cc1 ZINC001051455830 762108987 /nfs/dbraw/zinc/10/89/87/762108987.db2.gz QMEUUJFKLXBGQR-OAHLLOKOSA-N 1 1 325.372 0.912 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC000981932967 751286501 /nfs/dbraw/zinc/28/65/01/751286501.db2.gz HPFICGIWQXICHZ-UHFFFAOYSA-N 1 1 348.447 0.675 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000987871336 751301169 /nfs/dbraw/zinc/30/11/69/751301169.db2.gz GENNOMJMTVMHTJ-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC000981949384 751324463 /nfs/dbraw/zinc/32/44/63/751324463.db2.gz HGHLNMFIUXKMJG-CVEARBPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC000981949384 751324469 /nfs/dbraw/zinc/32/44/69/751324469.db2.gz HGHLNMFIUXKMJG-CVEARBPZSA-N 1 1 333.432 0.324 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cn3nccn3)C2)s1 ZINC001007423651 752371006 /nfs/dbraw/zinc/37/10/06/752371006.db2.gz JKFYMRTUOLLAKE-GFCCVEGCSA-N 1 1 330.417 0.992 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3nccn3)C2)s1 ZINC001007423651 752371011 /nfs/dbraw/zinc/37/10/11/752371011.db2.gz JKFYMRTUOLLAKE-GFCCVEGCSA-N 1 1 330.417 0.992 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001020945169 752372750 /nfs/dbraw/zinc/37/27/50/752372750.db2.gz YIGVUYTVYGJMSM-JOCQHMNTSA-N 1 1 341.371 0.836 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)COc3cnn(C)c3)C[C@@]2(C)C1 ZINC000982485835 752414568 /nfs/dbraw/zinc/41/45/68/752414568.db2.gz LLGLMJGLFLTERI-HDICACEKSA-N 1 1 330.432 0.993 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1OC ZINC001212024199 752418132 /nfs/dbraw/zinc/41/81/32/752418132.db2.gz MRSSGOSKBKCGEE-BZUAXINKSA-N 1 1 328.453 0.802 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937839156 752570770 /nfs/dbraw/zinc/57/07/70/752570770.db2.gz QCGYXNSPYDZHCC-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC000937839100 752570901 /nfs/dbraw/zinc/57/09/01/752570901.db2.gz OJQWWFJTGKLQAG-IKGGRYGDSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC000937839100 752570906 /nfs/dbraw/zinc/57/09/06/752570906.db2.gz OJQWWFJTGKLQAG-IKGGRYGDSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000938023877 752659602 /nfs/dbraw/zinc/65/96/02/752659602.db2.gz RUSGHECGOVHCHC-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000938023877 752659609 /nfs/dbraw/zinc/65/96/09/752659609.db2.gz RUSGHECGOVHCHC-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)c1 ZINC001021221555 752671226 /nfs/dbraw/zinc/67/12/26/752671226.db2.gz CWNLUOBLCMRYLU-GOOCMWNKSA-N 1 1 339.403 0.903 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)c1 ZINC001028448799 752686641 /nfs/dbraw/zinc/68/66/41/752686641.db2.gz NEAPDXLNEUWRRP-CZUORRHYSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)CCC)CCO2 ZINC001007674329 752764313 /nfs/dbraw/zinc/76/43/13/752764313.db2.gz KNPWGJUGUPIZAZ-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)CCC)CCO2 ZINC001007674329 752764314 /nfs/dbraw/zinc/76/43/14/752764314.db2.gz KNPWGJUGUPIZAZ-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028487124 752832024 /nfs/dbraw/zinc/83/20/24/752832024.db2.gz QTQNXDNNMJDQGS-AWEZNQCLSA-N 1 1 341.419 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(F)F)C(C)(C)C1 ZINC001007764287 752910026 /nfs/dbraw/zinc/91/00/26/752910026.db2.gz IGVAIKJSVMQENC-NWDGAFQWSA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(F)F)C(C)(C)C1 ZINC001007764287 752910029 /nfs/dbraw/zinc/91/00/29/752910029.db2.gz IGVAIKJSVMQENC-NWDGAFQWSA-N 1 1 327.375 0.702 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)cc1F ZINC001028519950 753046822 /nfs/dbraw/zinc/04/68/22/753046822.db2.gz WHUBMNJEMVNGEJ-WFASDCNBSA-N 1 1 346.362 0.744 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000988989380 753121868 /nfs/dbraw/zinc/12/18/68/753121868.db2.gz RIYTVDMSRGZFAF-OCCSQVGLSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCC1(C(=O)N2CC[C@H](n3cc(C[NH2+]CCOC)nn3)C2)CCC1 ZINC001098680124 753184144 /nfs/dbraw/zinc/18/41/44/753184144.db2.gz ACYLRIWDOODXSN-INIZCTEOSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@]2(C)C1 ZINC000982646244 753204349 /nfs/dbraw/zinc/20/43/49/753204349.db2.gz ONSAUKATAKTFKD-HDICACEKSA-N 1 1 333.432 0.786 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000989066249 753204375 /nfs/dbraw/zinc/20/43/75/753204375.db2.gz VRJPFNLIXBPYOL-BXWFABGCSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000989066249 753204380 /nfs/dbraw/zinc/20/43/80/753204380.db2.gz VRJPFNLIXBPYOL-BXWFABGCSA-N 1 1 347.459 0.618 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC001008074879 753278270 /nfs/dbraw/zinc/27/82/70/753278270.db2.gz KCQDNYZXTBWWHW-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001028578377 753312386 /nfs/dbraw/zinc/31/23/86/753312386.db2.gz NLUZOINQUIYPMO-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nccn2C(F)F)C1 ZINC001051494281 762205456 /nfs/dbraw/zinc/20/54/56/762205456.db2.gz HCAHYTQRLJFNFM-GHMZBOCLSA-N 1 1 327.335 0.755 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(-c3ccoc3)no2)C1 ZINC001051494494 762205479 /nfs/dbraw/zinc/20/54/79/762205479.db2.gz ISCKTJWARSGBPX-YPMHNXCESA-N 1 1 345.359 0.806 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001051494926 762206211 /nfs/dbraw/zinc/20/62/11/762206211.db2.gz PNKLDUWPVKJXHJ-NWDGAFQWSA-N 1 1 334.424 0.579 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4n[nH]nc4C3)C[C@@]2(C)C1 ZINC000982729406 753429336 /nfs/dbraw/zinc/42/93/36/753429336.db2.gz WJLDAUYTOVOVOA-DOPJRALCSA-N 1 1 327.432 0.713 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nonc2C)[C@@H]1C ZINC001088630922 753442405 /nfs/dbraw/zinc/44/24/05/753442405.db2.gz IAUGNXFZYDWFSF-YCPHGPKFSA-N 1 1 331.420 0.555 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nonc2C)[C@@H]1C ZINC001088630922 753442412 /nfs/dbraw/zinc/44/24/12/753442412.db2.gz IAUGNXFZYDWFSF-YCPHGPKFSA-N 1 1 331.420 0.555 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000982738046 753446597 /nfs/dbraw/zinc/44/65/97/753446597.db2.gz BUOYTXMLIRWERL-SJORKVTESA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@@]2(C)C1 ZINC000982772698 753519438 /nfs/dbraw/zinc/51/94/38/753519438.db2.gz MNCJIZHKQXBEDG-YTQUADARSA-N 1 1 349.475 0.980 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2ncc(C#N)cc2Cl)C1 ZINC001105852830 762221298 /nfs/dbraw/zinc/22/12/98/762221298.db2.gz AKQFKKLEQYADRC-RYUDHWBXSA-N 1 1 337.811 0.447 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059039833 753535057 /nfs/dbraw/zinc/53/50/57/753535057.db2.gz ZABUCBJSIJJKKA-LSDHHAIUSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059039833 753535064 /nfs/dbraw/zinc/53/50/64/753535064.db2.gz ZABUCBJSIJJKKA-LSDHHAIUSA-N 1 1 344.419 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC001008278026 753540083 /nfs/dbraw/zinc/54/00/83/753540083.db2.gz QLVJUIZXRRJKJE-IRXDYDNUSA-N 1 1 341.455 0.851 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC001008278026 753540089 /nfs/dbraw/zinc/54/00/89/753540089.db2.gz QLVJUIZXRRJKJE-IRXDYDNUSA-N 1 1 341.455 0.851 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2nc(Cl)c(C#N)s2)C1 ZINC001105853352 762223982 /nfs/dbraw/zinc/22/39/82/762223982.db2.gz MHPBWWIXGIDSTB-IUCAKERBSA-N 1 1 343.840 0.509 20 30 ECEDMO C#CCC1(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)CCC1 ZINC001098681071 753610100 /nfs/dbraw/zinc/61/01/00/753610100.db2.gz NXHYNSMBNGDMQT-OAHLLOKOSA-N 1 1 331.420 0.327 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1F ZINC001008376036 753675473 /nfs/dbraw/zinc/67/54/73/753675473.db2.gz RFMXWQIKHQAYLF-HIFRSBDPSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1F ZINC001008376036 753675476 /nfs/dbraw/zinc/67/54/76/753675476.db2.gz RFMXWQIKHQAYLF-HIFRSBDPSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)c1 ZINC001083392575 753793903 /nfs/dbraw/zinc/79/39/03/753793903.db2.gz PBILDEWMKBPCOW-IMJJTQAJSA-N 1 1 332.404 0.620 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@@]2(C)C1 ZINC000982816830 753840306 /nfs/dbraw/zinc/84/03/06/753840306.db2.gz LNMOKZGJYRVIOX-QRQLOZEOSA-N 1 1 349.475 0.980 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001105580823 753860880 /nfs/dbraw/zinc/86/08/80/753860880.db2.gz QKOKPPVIWFENCW-UKRRQHHQSA-N 1 1 330.436 0.892 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001028601803 753878278 /nfs/dbraw/zinc/87/82/78/753878278.db2.gz VLRQWJBJSWDPHJ-IRXDYDNUSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1nccnc1C#N ZINC001105599292 753971062 /nfs/dbraw/zinc/97/10/62/753971062.db2.gz RWTORMDMZLTPMG-HNNXBMFYSA-N 1 1 326.404 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1nccnc1C#N ZINC001105599292 753971066 /nfs/dbraw/zinc/97/10/66/753971066.db2.gz RWTORMDMZLTPMG-HNNXBMFYSA-N 1 1 326.404 0.340 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCn3cc(C)cn3)C2)nn1 ZINC001105376954 754071154 /nfs/dbraw/zinc/07/11/54/754071154.db2.gz NBAOSTWGNOFTRM-UHFFFAOYSA-N 1 1 343.435 0.922 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cnn(CC)n3)C[C@@H]2C)nn1 ZINC000989537078 754080997 /nfs/dbraw/zinc/08/09/97/754080997.db2.gz RJFVPDFNMKPUJQ-STQMWFEESA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cnn(C)n3)C[C@@H]2C)nn1 ZINC000989544735 754093538 /nfs/dbraw/zinc/09/35/38/754093538.db2.gz WVRXFVSTEZVEHI-QWHCGFSZSA-N 1 1 344.423 0.376 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CC3(CO2)CCN(C(=O)[C@H](C)C#N)CC3)[nH]1 ZINC000982888569 754099469 /nfs/dbraw/zinc/09/94/69/754099469.db2.gz DCHAODXTVHMOOR-TZMCWYRMSA-N 1 1 346.435 0.760 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557807 754113849 /nfs/dbraw/zinc/11/38/49/754113849.db2.gz SRKBOMKHUXJFAH-OAHLLOKOSA-N 1 1 327.450 0.016 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000989654396 754253449 /nfs/dbraw/zinc/25/34/49/754253449.db2.gz DKMLEMOYTBYMHT-UHFFFAOYSA-N 1 1 343.493 0.217 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028659553 754382183 /nfs/dbraw/zinc/38/21/83/754382183.db2.gz VWFUXQXERRXVAD-NSHDSACASA-N 1 1 325.390 0.002 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059082653 754559841 /nfs/dbraw/zinc/55/98/41/754559841.db2.gz MWBJFMDEJQBMFU-ZDUSSCGKSA-N 1 1 339.403 0.803 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001028673063 754574045 /nfs/dbraw/zinc/57/40/45/754574045.db2.gz SJMYBXPAHICXLH-STQMWFEESA-N 1 1 328.844 0.968 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001028673063 754574049 /nfs/dbraw/zinc/57/40/49/754574049.db2.gz SJMYBXPAHICXLH-STQMWFEESA-N 1 1 328.844 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1[C@H]2CN(C(=O)/C(C)=C/C)C[C@@H]12 ZINC001009188701 754630501 /nfs/dbraw/zinc/63/05/01/754630501.db2.gz GGYVZPFLALIDFH-CQDXGQLJSA-N 1 1 329.444 0.871 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1[C@H]2CN(C(=O)/C(C)=C/C)C[C@@H]12 ZINC001009188701 754630506 /nfs/dbraw/zinc/63/05/06/754630506.db2.gz GGYVZPFLALIDFH-CQDXGQLJSA-N 1 1 329.444 0.871 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001105873815 762322726 /nfs/dbraw/zinc/32/27/26/762322726.db2.gz WEVXXIPBADDNQB-HIFRSBDPSA-N 1 1 349.410 0.856 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001060008355 754694911 /nfs/dbraw/zinc/69/49/11/754694911.db2.gz ZGGNRKBNGVBINJ-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001060008355 754694916 /nfs/dbraw/zinc/69/49/16/754694916.db2.gz ZGGNRKBNGVBINJ-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001009263383 754720212 /nfs/dbraw/zinc/72/02/12/754720212.db2.gz VHWKITVVDCWDOI-CYBMUJFWSA-N 1 1 325.368 0.788 20 30 ECEDMO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1)c1nncn1C ZINC001051555934 762331970 /nfs/dbraw/zinc/33/19/70/762331970.db2.gz QGCSGXSFSKSLIS-AAEUAGOBSA-N 1 1 343.391 0.207 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001028707781 754778588 /nfs/dbraw/zinc/77/85/88/754778588.db2.gz XCDSVWWGOPSHAW-ZFWWWQNUSA-N 1 1 331.420 0.770 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001028709947 754785261 /nfs/dbraw/zinc/78/52/61/754785261.db2.gz QFTFXNIRJCMOMN-CQSZACIVSA-N 1 1 327.388 0.994 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001028711442 754792894 /nfs/dbraw/zinc/79/28/94/754792894.db2.gz BAGFPKQCERNNJA-KBPBESRZSA-N 1 1 331.407 0.967 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001028712024 754793609 /nfs/dbraw/zinc/79/36/09/754793609.db2.gz JIWGJAKXQRVNOW-ZIAGYGMSSA-N 1 1 329.391 0.414 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001028712049 754794152 /nfs/dbraw/zinc/79/41/52/754794152.db2.gz CIBKRXPPHJTZGL-ZDUSSCGKSA-N 1 1 327.392 0.685 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990249607 754876283 /nfs/dbraw/zinc/87/62/83/754876283.db2.gz FSLIBJNTSCXYBH-PZSREKOKSA-N 1 1 329.404 0.748 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC001075696489 754919225 /nfs/dbraw/zinc/91/92/25/754919225.db2.gz FYWXKHBVXDNFIV-TUKIKUTGSA-N 1 1 327.388 0.263 20 30 ECEDMO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCNC1=O ZINC001028735992 754924130 /nfs/dbraw/zinc/92/41/30/754924130.db2.gz VEABEGKBUPYTKV-DLBZAZTESA-N 1 1 325.412 0.612 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001028740862 754945780 /nfs/dbraw/zinc/94/57/80/754945780.db2.gz TWUWXJFOESAVHF-CVEARBPZSA-N 1 1 341.415 0.520 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000983261304 755011012 /nfs/dbraw/zinc/01/10/12/755011012.db2.gz NWGVKWCXVPTLLU-HUUCEWRRSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000983261304 755011017 /nfs/dbraw/zinc/01/10/17/755011017.db2.gz NWGVKWCXVPTLLU-HUUCEWRRSA-N 1 1 335.448 0.638 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000983269734 755030501 /nfs/dbraw/zinc/03/05/01/755030501.db2.gz USXDFXVVARYPBG-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)C2)s1 ZINC001028766559 755037168 /nfs/dbraw/zinc/03/71/68/755037168.db2.gz VVSMQAZEBRQZGP-LLVKDONJSA-N 1 1 343.412 0.955 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnn(CCF)c3)C2)nn1 ZINC001098688721 755039351 /nfs/dbraw/zinc/03/93/51/755039351.db2.gz WPTCLSRYCNBPQM-HNNXBMFYSA-N 1 1 347.398 0.807 20 30 ECEDMO COCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001098651737 755074419 /nfs/dbraw/zinc/07/44/19/755074419.db2.gz DRDTZRYNDFAEBA-CQSZACIVSA-N 1 1 343.391 0.301 20 30 ECEDMO COCC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001098651736 755075816 /nfs/dbraw/zinc/07/58/16/755075816.db2.gz DRDTZRYNDFAEBA-AWEZNQCLSA-N 1 1 343.391 0.301 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001028779295 755089068 /nfs/dbraw/zinc/08/90/68/755089068.db2.gz YKSYNTXHHMIVSR-AWEZNQCLSA-N 1 1 348.447 0.723 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC001028793027 755141662 /nfs/dbraw/zinc/14/16/62/755141662.db2.gz PYWQYNKITPVLNO-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059114360 755159728 /nfs/dbraw/zinc/15/97/28/755159728.db2.gz PWRWUOKWUFKNBQ-GJZGRUSLSA-N 1 1 342.447 0.903 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001028808042 755196153 /nfs/dbraw/zinc/19/61/53/755196153.db2.gz ZSTSHUMNKHLFHQ-ZACQAIPSSA-N 1 1 325.412 0.598 20 30 ECEDMO C=CCC1(C(=O)NCC[NH2+]Cc2nnnn2C(C)C)CCOCC1 ZINC001149306048 755255876 /nfs/dbraw/zinc/25/58/76/755255876.db2.gz SNCRSDLHPLJZSK-UHFFFAOYSA-N 1 1 336.440 0.833 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nccc(C)n3)C2)nn1 ZINC001028851486 755308948 /nfs/dbraw/zinc/30/89/48/755308948.db2.gz OVFIZOVXZPGTDQ-CQSZACIVSA-N 1 1 341.419 0.814 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nccc(C)n3)C2)nn1 ZINC001028851486 755308952 /nfs/dbraw/zinc/30/89/52/755308952.db2.gz OVFIZOVXZPGTDQ-CQSZACIVSA-N 1 1 341.419 0.814 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCn3cccn3)C2)nn1 ZINC001028857407 755322818 /nfs/dbraw/zinc/32/28/18/755322818.db2.gz HNOOMERRJOPUHQ-HNNXBMFYSA-N 1 1 343.435 0.803 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001028862913 755334330 /nfs/dbraw/zinc/33/43/30/755334330.db2.gz ZMXWMAGJJUGGJH-GVDBMIGSSA-N 1 1 330.432 0.750 20 30 ECEDMO CN(C[C@@H]1CCCCN1C(=O)C#CC1CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000990534468 755355515 /nfs/dbraw/zinc/35/55/15/755355515.db2.gz RHMGDJKVHDLWQH-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C[C@@H]1CCCCN1C(=O)C#CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000990534468 755355520 /nfs/dbraw/zinc/35/55/20/755355520.db2.gz RHMGDJKVHDLWQH-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cccnn3)C2)C1=O ZINC001028884858 755383115 /nfs/dbraw/zinc/38/31/15/755383115.db2.gz MPFRMATVRCDOGA-HIFRSBDPSA-N 1 1 329.404 0.315 20 30 ECEDMO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cc1 ZINC001075958739 755422538 /nfs/dbraw/zinc/42/25/38/755422538.db2.gz RNNMDGTZNLPFPF-GOEBONIOSA-N 1 1 329.400 0.883 20 30 ECEDMO C=CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cc1 ZINC001075958739 755422540 /nfs/dbraw/zinc/42/25/40/755422540.db2.gz RNNMDGTZNLPFPF-GOEBONIOSA-N 1 1 329.400 0.883 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001028920457 755479002 /nfs/dbraw/zinc/47/90/02/755479002.db2.gz XNGSNQIVTHBZRI-ZDUSSCGKSA-N 1 1 326.404 0.885 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)[C@@H](O)C1 ZINC001083484622 755645066 /nfs/dbraw/zinc/64/50/66/755645066.db2.gz QYWYGMDZMXRJCV-PMPSAXMXSA-N 1 1 337.464 0.905 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@H]12 ZINC000990711198 755704604 /nfs/dbraw/zinc/70/46/04/755704604.db2.gz LZFXZTPYVQSAFR-IFXJQAMLSA-N 1 1 345.443 0.908 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cccc(C)n3)C2)C1=O ZINC001010230932 755846907 /nfs/dbraw/zinc/84/69/07/755846907.db2.gz XJNPAQQTPHANSH-GOEBONIOSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccc(C)n3)C2)C1=O ZINC001010230932 755846912 /nfs/dbraw/zinc/84/69/12/755846912.db2.gz XJNPAQQTPHANSH-GOEBONIOSA-N 1 1 328.416 0.981 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521834 755879228 /nfs/dbraw/zinc/87/92/28/755879228.db2.gz JJSNXEGCBTYWAD-ZNMIVQPWSA-N 1 1 329.872 0.878 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CC(=O)NCC)CC1 ZINC001105678768 755936062 /nfs/dbraw/zinc/93/60/62/755936062.db2.gz OHVGLOLMFXZQNW-CALCHBBNSA-N 1 1 346.475 0.285 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)[C@@H](O)C1 ZINC001083530476 755950647 /nfs/dbraw/zinc/95/06/47/755950647.db2.gz PJQMQYHCEREVIQ-NXHRZFHOSA-N 1 1 328.412 0.910 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)[C@@H](O)C1 ZINC001083530476 755950649 /nfs/dbraw/zinc/95/06/49/755950649.db2.gz PJQMQYHCEREVIQ-NXHRZFHOSA-N 1 1 328.412 0.910 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001083535763 755975320 /nfs/dbraw/zinc/97/53/20/755975320.db2.gz KTKVUOODUNRYCQ-AGIUHOORSA-N 1 1 333.354 0.198 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001083535763 755975323 /nfs/dbraw/zinc/97/53/23/755975323.db2.gz KTKVUOODUNRYCQ-AGIUHOORSA-N 1 1 333.354 0.198 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@@H](O)C1 ZINC001083537979 755985868 /nfs/dbraw/zinc/98/58/68/755985868.db2.gz ALQIYVCTIBZGFG-LVQVYYBASA-N 1 1 348.447 0.625 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076027392 756010066 /nfs/dbraw/zinc/01/00/66/756010066.db2.gz ODPGUTRKSJIYGU-LSDHHAIUSA-N 1 1 341.452 0.311 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076027392 756010074 /nfs/dbraw/zinc/01/00/74/756010074.db2.gz ODPGUTRKSJIYGU-LSDHHAIUSA-N 1 1 341.452 0.311 20 30 ECEDMO C=CCOCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076034674 756030868 /nfs/dbraw/zinc/03/08/68/756030868.db2.gz YSELTGJDRAMRHU-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nncn4CC3)[C@@H]2C1 ZINC001076064348 756048969 /nfs/dbraw/zinc/04/89/69/756048969.db2.gz REOSCZADNAKIKL-OWCLPIDISA-N 1 1 327.432 0.787 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3coc4c3C(=O)NCCC4)[C@@H]2C1 ZINC001076066641 756049894 /nfs/dbraw/zinc/04/98/94/756049894.db2.gz LSRWIUSPNKXEME-GXTWGEPZSA-N 1 1 327.384 0.735 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3coc4c3C(=O)NCCC4)[C@@H]2C1 ZINC001076066641 756049900 /nfs/dbraw/zinc/04/99/00/756049900.db2.gz LSRWIUSPNKXEME-GXTWGEPZSA-N 1 1 327.384 0.735 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)ccc1F ZINC001010380841 756063074 /nfs/dbraw/zinc/06/30/74/756063074.db2.gz IGGXRFHERPPPNP-DZGCQCFKSA-N 1 1 330.363 0.666 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)ccc1F ZINC001010380841 756063078 /nfs/dbraw/zinc/06/30/78/756063078.db2.gz IGGXRFHERPPPNP-DZGCQCFKSA-N 1 1 330.363 0.666 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC001076079453 756070125 /nfs/dbraw/zinc/07/01/25/756070125.db2.gz XOAFFTYVIAJWIC-FPMFFAJLSA-N 1 1 349.822 0.651 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC001076079453 756070131 /nfs/dbraw/zinc/07/01/31/756070131.db2.gz XOAFFTYVIAJWIC-FPMFFAJLSA-N 1 1 349.822 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2cccn2)CC1 ZINC001010387504 756072129 /nfs/dbraw/zinc/07/21/29/756072129.db2.gz AYUSBJMTRTYGPB-INIZCTEOSA-N 1 1 343.431 0.042 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2cccn2)CC1 ZINC001010387504 756072135 /nfs/dbraw/zinc/07/21/35/756072135.db2.gz AYUSBJMTRTYGPB-INIZCTEOSA-N 1 1 343.431 0.042 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)n1 ZINC001076137235 756125472 /nfs/dbraw/zinc/12/54/72/756125472.db2.gz PIOPLGBAQFPHFX-LSDHHAIUSA-N 1 1 337.387 0.428 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCOC)nn2)C1 ZINC001098662137 756155425 /nfs/dbraw/zinc/15/54/25/756155425.db2.gz XVPMSGAOKZWVTC-MRXNPFEDSA-N 1 1 333.436 0.981 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC[C@H](CNc2ccnc(C#N)n2)C1)C1CCC1 ZINC001060103366 756155515 /nfs/dbraw/zinc/15/55/15/756155515.db2.gz VRXRNQLIWNSWAM-CQSZACIVSA-N 1 1 342.447 0.905 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4cnoc4)[C@@H]3C2)C1=O ZINC001076163839 756169329 /nfs/dbraw/zinc/16/93/29/756169329.db2.gz TUEXABSLSRIJHF-HRCADAONSA-N 1 1 344.415 0.537 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)c1 ZINC001076223354 756234472 /nfs/dbraw/zinc/23/44/72/756234472.db2.gz UTWPUUSOVMMORA-NUEKZKHPSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+]([C@H](CC)C(N)=O)C[C@H]32)c1 ZINC001076223354 756234479 /nfs/dbraw/zinc/23/44/79/756234479.db2.gz UTWPUUSOVMMORA-NUEKZKHPSA-N 1 1 326.400 0.473 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cncnc1 ZINC001076244025 756274492 /nfs/dbraw/zinc/27/44/92/756274492.db2.gz GREUJCRMYXGZOT-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cncnc1 ZINC001076244025 756274495 /nfs/dbraw/zinc/27/44/95/756274495.db2.gz GREUJCRMYXGZOT-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCCN(C(=O)C#CC2CC2)C3)C1 ZINC001010595875 756292185 /nfs/dbraw/zinc/29/21/85/756292185.db2.gz KHHWQJFLXZXPPU-INIZCTEOSA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCCN(C(=O)C#CC2CC2)C3)C1 ZINC001010595875 756292191 /nfs/dbraw/zinc/29/21/91/756292191.db2.gz KHHWQJFLXZXPPU-INIZCTEOSA-N 1 1 345.443 0.181 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001076263428 756301137 /nfs/dbraw/zinc/30/11/37/756301137.db2.gz AFCYVVGXODHMNJ-JJXSEGSLSA-N 1 1 348.447 0.135 20 30 ECEDMO CCc1nnc([C@H](C)[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)[nH]1 ZINC001051608726 762457576 /nfs/dbraw/zinc/45/75/76/762457576.db2.gz IAPNYZITJJSGDE-JSGCOSHPSA-N 1 1 331.420 0.659 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)[nH]1 ZINC001010646026 756346017 /nfs/dbraw/zinc/34/60/17/756346017.db2.gz UZKZBKJIZBQROE-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)[nH]1 ZINC001010646026 756346024 /nfs/dbraw/zinc/34/60/24/756346024.db2.gz UZKZBKJIZBQROE-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccnn4C)C[C@H]32)nn1 ZINC001076334751 756375660 /nfs/dbraw/zinc/37/56/60/756375660.db2.gz HKYLEDOYKZUIHO-XJKSGUPXSA-N 1 1 341.419 0.544 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccnn4C)C[C@H]32)nn1 ZINC001076334751 756375663 /nfs/dbraw/zinc/37/56/63/756375663.db2.gz HKYLEDOYKZUIHO-XJKSGUPXSA-N 1 1 341.419 0.544 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 ZINC001076350556 756402853 /nfs/dbraw/zinc/40/28/53/756402853.db2.gz CXBJUBOUJUKXII-IRSUPMPHSA-N 1 1 332.404 0.083 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001010690803 756402912 /nfs/dbraw/zinc/40/29/12/756402912.db2.gz POLZMIMJWHDZCL-AWEZNQCLSA-N 1 1 327.392 0.599 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)CS(C)(=O)=O)[C@H](C)C1 ZINC001102608433 756410357 /nfs/dbraw/zinc/41/03/57/756410357.db2.gz CQFNXMVCQMIUDE-ZIAGYGMSSA-N 1 1 328.478 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(F)nc2)CC1 ZINC001010721373 756441957 /nfs/dbraw/zinc/44/19/57/756441957.db2.gz PQUBCLIQGQIQNW-HNNXBMFYSA-N 1 1 344.390 0.603 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(F)nc2)CC1 ZINC001010721373 756441961 /nfs/dbraw/zinc/44/19/61/756441961.db2.gz PQUBCLIQGQIQNW-HNNXBMFYSA-N 1 1 344.390 0.603 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010756751 756485389 /nfs/dbraw/zinc/48/53/89/756485389.db2.gz ZJSNXEJCZJBCLX-KRWDZBQOSA-N 1 1 326.400 0.727 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)[C@@H]2C1 ZINC001076458603 756546786 /nfs/dbraw/zinc/54/67/86/756546786.db2.gz CMHSDBYVLZQAGO-CMPLNLGQSA-N 1 1 348.794 0.316 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)nc1 ZINC001076475897 756562355 /nfs/dbraw/zinc/56/23/55/756562355.db2.gz LDJOUINYZHLURL-JLJPHGGASA-N 1 1 340.427 0.686 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)nc1 ZINC001076475897 756562359 /nfs/dbraw/zinc/56/23/59/756562359.db2.gz LDJOUINYZHLURL-JLJPHGGASA-N 1 1 340.427 0.686 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)nc1 ZINC001076476085 756562616 /nfs/dbraw/zinc/56/26/16/756562616.db2.gz UYDUQMNXFDUXDZ-IVMMDQJWSA-N 1 1 326.400 0.344 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)nc1 ZINC001076476085 756562620 /nfs/dbraw/zinc/56/26/20/756562620.db2.gz UYDUQMNXFDUXDZ-IVMMDQJWSA-N 1 1 326.400 0.344 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001010829415 756577127 /nfs/dbraw/zinc/57/71/27/756577127.db2.gz FRGKFUXQEBWJNV-LSDHHAIUSA-N 1 1 332.448 0.939 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC001010877609 756633764 /nfs/dbraw/zinc/63/37/64/756633764.db2.gz XSKYUNVZFPHWHV-KRWDZBQOSA-N 1 1 341.411 0.283 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC001010877609 756633767 /nfs/dbraw/zinc/63/37/67/756633767.db2.gz XSKYUNVZFPHWHV-KRWDZBQOSA-N 1 1 341.411 0.283 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(F)F)nc2C)[C@@H](O)C1 ZINC001083550277 756684421 /nfs/dbraw/zinc/68/44/21/756684421.db2.gz ZYXPETJXMWGTMK-OLZOCXBDSA-N 1 1 328.363 0.808 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)[C@@H]2C1 ZINC001076587394 756691379 /nfs/dbraw/zinc/69/13/79/756691379.db2.gz HAPZDHKAXWDTMV-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)[C@@H]2C1 ZINC001076601748 756719616 /nfs/dbraw/zinc/71/96/16/756719616.db2.gz GSSZULDXVQJNHT-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011019591 756772828 /nfs/dbraw/zinc/77/28/28/756772828.db2.gz CJYIBHVRWYKSGS-GXTWGEPZSA-N 1 1 329.404 0.368 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnn2CC)CC1 ZINC001011043648 756822004 /nfs/dbraw/zinc/82/20/04/756822004.db2.gz CIUYJUXQYSZEJQ-HNNXBMFYSA-N 1 1 343.431 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnn2CC)CC1 ZINC001011043648 756822013 /nfs/dbraw/zinc/82/20/13/756822013.db2.gz CIUYJUXQYSZEJQ-HNNXBMFYSA-N 1 1 343.431 0.285 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000990935676 756913986 /nfs/dbraw/zinc/91/39/86/756913986.db2.gz OQFGYKOETOXALF-UHFFFAOYSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12 ZINC000991658413 762503595 /nfs/dbraw/zinc/50/35/95/762503595.db2.gz UBYCEMQFMSKKOJ-CXAGYDPISA-N 1 1 330.388 0.085 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@H]3C2)[nH]1 ZINC001048772207 756946052 /nfs/dbraw/zinc/94/60/52/756946052.db2.gz UNPIQDPPLWASFX-TXEJJXNPSA-N 1 1 327.388 0.169 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1)C1CC1 ZINC001048773173 756947394 /nfs/dbraw/zinc/94/73/94/756947394.db2.gz POMAEQMKDMRTRZ-OKILXGFUSA-N 1 1 341.415 0.511 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048778603 756964103 /nfs/dbraw/zinc/96/41/03/756964103.db2.gz DYAHBAIJWILDEM-FPMFFAJLSA-N 1 1 341.415 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cscn2)CC1 ZINC001011151417 757039967 /nfs/dbraw/zinc/03/99/67/757039967.db2.gz SWTFQKUNSJUFKM-HNNXBMFYSA-N 1 1 346.456 0.454 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cscn2)CC1 ZINC001011151417 757039973 /nfs/dbraw/zinc/03/99/73/757039973.db2.gz SWTFQKUNSJUFKM-HNNXBMFYSA-N 1 1 346.456 0.454 20 30 ECEDMO C=CCOCC(=O)NCc1cn(C2C[NH+](CC[C@@H](C)F)C2)nn1 ZINC001107147268 757044978 /nfs/dbraw/zinc/04/49/78/757044978.db2.gz XJJGFHBSCBNBAI-GFCCVEGCSA-N 1 1 325.388 0.702 20 30 ECEDMO C#CCCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001076768378 757058621 /nfs/dbraw/zinc/05/86/21/757058621.db2.gz BCJOFJDEUVNJLV-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CCCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001076768378 757058628 /nfs/dbraw/zinc/05/86/28/757058628.db2.gz BCJOFJDEUVNJLV-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076768857 757060067 /nfs/dbraw/zinc/06/00/67/757060067.db2.gz MFKXPKHDHZCNJH-WFASDCNBSA-N 1 1 347.419 0.232 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076768857 757060073 /nfs/dbraw/zinc/06/00/73/757060073.db2.gz MFKXPKHDHZCNJH-WFASDCNBSA-N 1 1 347.419 0.232 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1O ZINC001048807386 757061002 /nfs/dbraw/zinc/06/10/02/757061002.db2.gz NULQRYJLYDBXOD-QAETUUGQSA-N 1 1 349.475 0.406 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048821997 757107586 /nfs/dbraw/zinc/10/75/86/757107586.db2.gz MKHLLBZPQYQCOQ-IYBDPMFKSA-N 1 1 337.387 0.135 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C[C@H]2C1 ZINC001048837378 757142865 /nfs/dbraw/zinc/14/28/65/757142865.db2.gz KHPYSWYZXLFYGT-ZACQAIPSSA-N 1 1 329.444 0.658 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C[C@H]2C1 ZINC001048837377 757143476 /nfs/dbraw/zinc/14/34/76/757143476.db2.gz KHPYSWYZXLFYGT-YESZJQIVSA-N 1 1 329.444 0.658 20 30 ECEDMO C#CCCCC(=O)NCc1cn(C2C[NH+](CCC[C@@H](C)O)C2)nn1 ZINC001107164697 757166171 /nfs/dbraw/zinc/16/61/71/757166171.db2.gz FMUAIPXZIJMLMO-CQSZACIVSA-N 1 1 333.436 0.716 20 30 ECEDMO C#CCOCCC(=O)NCc1cn(C2C[NH+](CC[C@H](C)F)C2)nn1 ZINC001107170676 757210964 /nfs/dbraw/zinc/21/09/64/757210964.db2.gz ANEJRJOZIMSIRA-ZDUSSCGKSA-N 1 1 337.399 0.539 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107176030 757253510 /nfs/dbraw/zinc/25/35/10/757253510.db2.gz ZNCWUSZIDUWHJW-UHFFFAOYSA-N 1 1 341.843 0.912 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001048877720 757266018 /nfs/dbraw/zinc/26/60/18/757266018.db2.gz ZSPNAMPRABIIGU-JYJNAYRXSA-N 1 1 348.447 0.824 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001011239346 757266773 /nfs/dbraw/zinc/26/67/73/757266773.db2.gz KNXAZVZBZZBQSQ-LSDHHAIUSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048897529 757329771 /nfs/dbraw/zinc/32/97/71/757329771.db2.gz HAZGUIBFMSSWLG-KKUMJFAQSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3c[nH]cn3)nn2)C1 ZINC001107178273 757333417 /nfs/dbraw/zinc/33/34/17/757333417.db2.gz PUFFUPKIWIKVTQ-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@H]2C1 ZINC001048924096 757426920 /nfs/dbraw/zinc/42/69/20/757426920.db2.gz PIUVLLAALRAVCW-KFWWJZLASA-N 1 1 326.462 0.778 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(F)c[nH]4)C[C@H]3C2)C1=O ZINC001048942152 757476310 /nfs/dbraw/zinc/47/63/10/757476310.db2.gz QOZFKLUVNWYGEH-ZENOOKHLSA-N 1 1 346.406 0.945 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC001021589380 757652130 /nfs/dbraw/zinc/65/21/30/757652130.db2.gz UDZXROZPFRAZTF-IXDOHACOSA-N 1 1 329.444 0.801 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001021594663 757660242 /nfs/dbraw/zinc/66/02/42/757660242.db2.gz ODPSXNICKUFXLV-CABCVRRESA-N 1 1 346.431 0.046 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn3c(n2)COCC3)C1 ZINC001021612239 757685218 /nfs/dbraw/zinc/68/52/18/757685218.db2.gz BFVUPJJEWLWQSM-ZBFHGGJFSA-N 1 1 328.416 0.973 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001021613120 757685897 /nfs/dbraw/zinc/68/58/97/757685897.db2.gz IRHSRDUBHJFKLV-WBVHZDCISA-N 1 1 340.427 0.669 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021618080 757690449 /nfs/dbraw/zinc/69/04/49/757690449.db2.gz BPRPWQIBWNERCP-CVEARBPZSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021618080 757690455 /nfs/dbraw/zinc/69/04/55/757690455.db2.gz BPRPWQIBWNERCP-CVEARBPZSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021631806 757714353 /nfs/dbraw/zinc/71/43/53/757714353.db2.gz ASNAIRAFGFVRGV-HZPDHXFCSA-N 1 1 345.447 0.308 20 30 ECEDMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049048812 757778100 /nfs/dbraw/zinc/77/81/00/757778100.db2.gz RFAOVIZFDMCYJV-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cnccc2=O)C1 ZINC001021701585 757820556 /nfs/dbraw/zinc/82/05/56/757820556.db2.gz BCMYJGFENKMBSC-DLBZAZTESA-N 1 1 342.443 0.970 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001021709547 757839911 /nfs/dbraw/zinc/83/99/11/757839911.db2.gz CESBVBVNXZUZQQ-HIFRSBDPSA-N 1 1 339.399 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)CC[C@@H]32)cn1 ZINC001021717554 757857216 /nfs/dbraw/zinc/85/72/16/757857216.db2.gz PIFCPEYJIDHZOE-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)COc3cccnc3)nn2)C1 ZINC001107221115 757857479 /nfs/dbraw/zinc/85/74/79/757857479.db2.gz HEMMPFRLIINSSU-UHFFFAOYSA-N 1 1 342.403 0.801 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001049068216 757867503 /nfs/dbraw/zinc/86/75/03/757867503.db2.gz NOYKZORYINTJBU-CLWVCHIJSA-N 1 1 333.432 0.246 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021730381 757874719 /nfs/dbraw/zinc/87/47/19/757874719.db2.gz NDGFQCXOYQBFOA-HUUCEWRRSA-N 1 1 348.447 0.769 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cc(C)c(C(N)=O)cn3)C[C@H]2C1 ZINC001049072279 757877441 /nfs/dbraw/zinc/87/74/41/757877441.db2.gz YOUFMDIKSHTTHV-OKILXGFUSA-N 1 1 326.400 0.516 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C(N)=O)n2)C1 ZINC001021743877 757893224 /nfs/dbraw/zinc/89/32/24/757893224.db2.gz SECCDLHTCUQMJW-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001021747629 757896806 /nfs/dbraw/zinc/89/68/06/757896806.db2.gz YQKMLGYMKMKDAA-GOEBONIOSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001077004222 757908225 /nfs/dbraw/zinc/90/82/25/757908225.db2.gz TWDMJQOROJBFCM-NVXWUHKLSA-N 1 1 326.400 0.300 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001077015428 757928690 /nfs/dbraw/zinc/92/86/90/757928690.db2.gz VNNBDQILGDFQDS-VQHPVUNQSA-N 1 1 329.400 0.344 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001077015428 757928697 /nfs/dbraw/zinc/92/86/97/757928697.db2.gz VNNBDQILGDFQDS-VQHPVUNQSA-N 1 1 329.400 0.344 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@H]2C1 ZINC001049092919 757943030 /nfs/dbraw/zinc/94/30/30/757943030.db2.gz QDZVNPQPHVRGBD-KFWWJZLASA-N 1 1 326.462 0.778 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CNC(=O)[C@@H](C)CC)nn2)C1 ZINC001107236304 758025755 /nfs/dbraw/zinc/02/57/55/758025755.db2.gz UKCXOAXDTMSTTC-ZDUSSCGKSA-N 1 1 348.451 0.489 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001077047781 758035275 /nfs/dbraw/zinc/03/52/75/758035275.db2.gz SVCKBKLREKGPAF-RBSFLKMASA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001077047781 758035280 /nfs/dbraw/zinc/03/52/80/758035280.db2.gz SVCKBKLREKGPAF-RBSFLKMASA-N 1 1 335.448 0.208 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001077050028 758040672 /nfs/dbraw/zinc/04/06/72/758040672.db2.gz UVZFBMZEWHSXAN-CHWSQXEVSA-N 1 1 336.440 0.098 20 30 ECEDMO C=CCCOCC(=O)NCc1cn(C2C[NH+](C[C@@H](C)OC)C2)nn1 ZINC001107240875 758042006 /nfs/dbraw/zinc/04/20/06/758042006.db2.gz HWSMJTZWMBBKCN-CYBMUJFWSA-N 1 1 337.424 0.379 20 30 ECEDMO C=CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](C[C@H](C)OC)C2)nn1 ZINC001107241417 758045171 /nfs/dbraw/zinc/04/51/71/758045171.db2.gz UHLUAEUMNYWYAC-QWHCGFSZSA-N 1 1 337.424 0.377 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001077046079 758045761 /nfs/dbraw/zinc/04/57/61/758045761.db2.gz BEIZMYGONABYAN-BZUAXINKSA-N 1 1 335.448 0.372 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049140404 758107549 /nfs/dbraw/zinc/10/75/49/758107549.db2.gz MBUHICCAXPNXQS-KFWWJZLASA-N 1 1 331.420 0.504 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12 ZINC001107289952 758177887 /nfs/dbraw/zinc/17/78/87/758177887.db2.gz ZMUNVRDCKVJRLC-CZUORRHYSA-N 1 1 338.477 0.692 20 30 ECEDMO N#CCSCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107290834 758179691 /nfs/dbraw/zinc/17/96/91/758179691.db2.gz BJDGFGBKKTZHIT-GDBMZVCRSA-N 1 1 348.476 0.896 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@@H]1O ZINC001049176455 758228617 /nfs/dbraw/zinc/22/86/17/758228617.db2.gz PKYXAALHYIDTLK-DOXZYTNZSA-N 1 1 349.475 0.715 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCOC3)CCC[C@@H]12 ZINC001107307519 758229101 /nfs/dbraw/zinc/22/91/01/758229101.db2.gz YYEHQIPXCMPEIK-CKEIUWERSA-N 1 1 334.420 0.023 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC001011661788 758236406 /nfs/dbraw/zinc/23/64/06/758236406.db2.gz NUPGOHNYWNRIHO-BXUZGUMPSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049188484 758252863 /nfs/dbraw/zinc/25/28/63/758252863.db2.gz ARTBLHKWCVFYJX-VNHYZAJKSA-N 1 1 327.450 0.035 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001077128802 758266789 /nfs/dbraw/zinc/26/67/89/758266789.db2.gz FYNZNADLROJILR-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](O)COC)CC2 ZINC001107331071 758272497 /nfs/dbraw/zinc/27/24/97/758272497.db2.gz ZXOJUGFYMLSIKX-ZMSDIMECSA-N 1 1 326.437 0.557 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001077131311 758275318 /nfs/dbraw/zinc/27/53/18/758275318.db2.gz VWOFFANPVHIJMD-UKRRQHHQSA-N 1 1 345.399 0.873 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnsn1 ZINC001077124288 758282756 /nfs/dbraw/zinc/28/27/56/758282756.db2.gz QSOOCGXWEACIDR-AAEUAGOBSA-N 1 1 335.433 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnsn1 ZINC001077124288 758282766 /nfs/dbraw/zinc/28/27/66/758282766.db2.gz QSOOCGXWEACIDR-AAEUAGOBSA-N 1 1 335.433 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](OC)C1CC1 ZINC001077124515 758284799 /nfs/dbraw/zinc/28/47/99/758284799.db2.gz WGROZDIBRZLEFA-BPUTZDHNSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](OC)C1CC1 ZINC001077124515 758284803 /nfs/dbraw/zinc/28/48/03/758284803.db2.gz WGROZDIBRZLEFA-BPUTZDHNSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](CCC)OC ZINC001077125093 758288315 /nfs/dbraw/zinc/28/83/15/758288315.db2.gz MQUBOBQVMPRBQA-HRCADAONSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](CCC)OC ZINC001077125093 758288322 /nfs/dbraw/zinc/28/83/22/758288322.db2.gz MQUBOBQVMPRBQA-HRCADAONSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cnoc1 ZINC001077125596 758292393 /nfs/dbraw/zinc/29/23/93/758292393.db2.gz YPLAHFAZRCRDCP-ZFWWWQNUSA-N 1 1 332.404 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cnoc1 ZINC001077125596 758292400 /nfs/dbraw/zinc/29/24/00/758292400.db2.gz YPLAHFAZRCRDCP-ZFWWWQNUSA-N 1 1 332.404 0.326 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](OC)C1CCC1 ZINC001077125537 758292906 /nfs/dbraw/zinc/29/29/06/758292906.db2.gz WDIVDKCQXUUARU-XIRDDKMYSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](OC)C1CCC1 ZINC001077125537 758292917 /nfs/dbraw/zinc/29/29/17/758292917.db2.gz WDIVDKCQXUUARU-XIRDDKMYSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1conc1CC ZINC001077125494 758292937 /nfs/dbraw/zinc/29/29/37/758292937.db2.gz VYYRHTPBXOOACX-BBRMVZONSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1conc1CC ZINC001077125494 758292946 /nfs/dbraw/zinc/29/29/46/758292946.db2.gz VYYRHTPBXOOACX-BBRMVZONSA-N 1 1 346.431 0.959 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001077138329 758294457 /nfs/dbraw/zinc/29/44/57/758294457.db2.gz DCZRRKLKQPUURM-ZIAGYGMSSA-N 1 1 331.372 0.369 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001077133122 758301595 /nfs/dbraw/zinc/30/15/95/758301595.db2.gz GUQNBNQICQQFMX-GHMZBOCLSA-N 1 1 330.344 0.035 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001077133122 758301603 /nfs/dbraw/zinc/30/16/03/758301603.db2.gz GUQNBNQICQQFMX-GHMZBOCLSA-N 1 1 330.344 0.035 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107329396 758302008 /nfs/dbraw/zinc/30/20/08/758302008.db2.gz SIJFVGYRUUDNDP-NVXWUHKLSA-N 1 1 326.437 0.559 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccn(C)n4)C[C@H]3C2)C1=O ZINC001049214126 758334977 /nfs/dbraw/zinc/33/49/77/758334977.db2.gz BNMVKOKLIREAAO-LZWOXQAQSA-N 1 1 343.431 0.211 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCOC3)CCC[C@@H]12 ZINC001107345176 758355320 /nfs/dbraw/zinc/35/53/20/758355320.db2.gz ZQRNAIJHWBSGBV-GPMSIDNRSA-N 1 1 347.459 0.523 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNc1ccnc(C#N)n1 ZINC001107346907 758359094 /nfs/dbraw/zinc/35/90/94/758359094.db2.gz XCUIKEBEWJOLPX-VQTKUKTRSA-N 1 1 328.420 0.727 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@H]2C1 ZINC001049222470 758370512 /nfs/dbraw/zinc/37/05/12/758370512.db2.gz IVDYRNUSTALRGA-ZNMIVQPWSA-N 1 1 327.856 0.850 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cscn2)C1=O ZINC001032313750 758405968 /nfs/dbraw/zinc/40/59/68/758405968.db2.gz AQYSGSCBYMDLPI-OBJOEFQTSA-N 1 1 332.429 0.829 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cscn2)C1=O ZINC001032313750 758405971 /nfs/dbraw/zinc/40/59/71/758405971.db2.gz AQYSGSCBYMDLPI-OBJOEFQTSA-N 1 1 332.429 0.829 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4nonc4C)C[C@H]3C2)C1=O ZINC001049249268 758433673 /nfs/dbraw/zinc/43/36/73/758433673.db2.gz NOWACRBKGDIUTG-HZSPNIEDSA-N 1 1 345.403 0.169 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3C(=O)CCC3=O)CCC[C@@H]12 ZINC001107429250 758546698 /nfs/dbraw/zinc/54/66/98/758546698.db2.gz DLQPYIKUYWXXEM-QMTMVMCOSA-N 1 1 345.443 0.908 20 30 ECEDMO N#Cc1ccc(F)c(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC001127779617 758627477 /nfs/dbraw/zinc/62/74/77/758627477.db2.gz OZBCAXFMNNDFOI-NVXWUHKLSA-N 1 1 346.406 0.766 20 30 ECEDMO N#Cc1ccc(F)c(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC001127779617 758627481 /nfs/dbraw/zinc/62/74/81/758627481.db2.gz OZBCAXFMNNDFOI-NVXWUHKLSA-N 1 1 346.406 0.766 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001077260832 758637936 /nfs/dbraw/zinc/63/79/36/758637936.db2.gz XUAQTWIYRBUNIX-IAOVAPTHSA-N 1 1 332.448 0.951 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001077260832 758637941 /nfs/dbraw/zinc/63/79/41/758637941.db2.gz XUAQTWIYRBUNIX-IAOVAPTHSA-N 1 1 332.448 0.951 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001077260832 758637948 /nfs/dbraw/zinc/63/79/48/758637948.db2.gz XUAQTWIYRBUNIX-IAOVAPTHSA-N 1 1 332.448 0.951 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3C)CCC[C@@H]12 ZINC001107494662 758747729 /nfs/dbraw/zinc/74/77/29/758747729.db2.gz TXKCNBROSWUCAS-CRAIPNDOSA-N 1 1 345.447 0.995 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC001049466802 758762704 /nfs/dbraw/zinc/76/27/04/758762704.db2.gz KCANZQARAPARMQ-CABCVRRESA-N 1 1 344.415 0.017 20 30 ECEDMO C#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000996765933 758765488 /nfs/dbraw/zinc/76/54/88/758765488.db2.gz MMOOQPSLVVPKSL-DAWZGUTISA-N 1 1 332.492 0.759 20 30 ECEDMO Cn1cncc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077317079 758780709 /nfs/dbraw/zinc/78/07/09/758780709.db2.gz ZITWFJKRMJFDIU-GDBMZVCRSA-N 1 1 325.372 0.267 20 30 ECEDMO Cn1cncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077317079 758780713 /nfs/dbraw/zinc/78/07/13/758780713.db2.gz ZITWFJKRMJFDIU-GDBMZVCRSA-N 1 1 325.372 0.267 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OC)CC2(CCOCC2)C1 ZINC001099566190 758791563 /nfs/dbraw/zinc/79/15/63/758791563.db2.gz NTWAJCJOVPQZRW-HOTGVXAUSA-N 1 1 338.448 0.658 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049506943 758821679 /nfs/dbraw/zinc/82/16/79/758821679.db2.gz CMAYIMYZKYHSSE-KBPBESRZSA-N 1 1 327.450 0.273 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(OCC(N)=O)c1 ZINC001049507359 758823806 /nfs/dbraw/zinc/82/38/06/758823806.db2.gz HOEJQGFEJDVSML-DLBZAZTESA-N 1 1 341.411 0.863 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049550934 758912512 /nfs/dbraw/zinc/91/25/12/758912512.db2.gz CRVKXYZXQRKFCE-CVEARBPZSA-N 1 1 328.416 0.974 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001049560547 758923578 /nfs/dbraw/zinc/92/35/78/758923578.db2.gz VEZWYIWGWFAVQF-PMPSAXMXSA-N 1 1 335.448 0.162 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCN1C(=O)CCC1=O ZINC001049578934 758955836 /nfs/dbraw/zinc/95/58/36/758955836.db2.gz CDIBWAHMYGWBPB-LSDHHAIUSA-N 1 1 331.416 0.614 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049579598 758957273 /nfs/dbraw/zinc/95/72/73/758957273.db2.gz LYFJVDPQKGMJMV-UONOGXRCSA-N 1 1 330.388 0.038 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049636417 759033093 /nfs/dbraw/zinc/03/30/93/759033093.db2.gz CHDXZTZLJXGRDQ-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001022737352 759067408 /nfs/dbraw/zinc/06/74/08/759067408.db2.gz VUMQJXUBFXYBQN-RQJABVFESA-N 1 1 348.451 0.756 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)cc1C#N ZINC001049691516 759105824 /nfs/dbraw/zinc/10/58/24/759105824.db2.gz MKLFXSPRLMYCBE-GJZGRUSLSA-N 1 1 342.399 0.617 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)cc1C#N ZINC001049691516 759105826 /nfs/dbraw/zinc/10/58/26/759105826.db2.gz MKLFXSPRLMYCBE-GJZGRUSLSA-N 1 1 342.399 0.617 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049725154 759136474 /nfs/dbraw/zinc/13/64/74/759136474.db2.gz VISASYOXZDHUMB-XDQVBPFNSA-N 1 1 341.839 0.837 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049725154 759136478 /nfs/dbraw/zinc/13/64/78/759136478.db2.gz VISASYOXZDHUMB-XDQVBPFNSA-N 1 1 341.839 0.837 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(C)no3)C2)nn1 ZINC001022828886 759152010 /nfs/dbraw/zinc/15/20/10/759152010.db2.gz VZSMSWHDUPPUQJ-TXEJJXNPSA-N 1 1 331.380 0.596 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001022843172 759167786 /nfs/dbraw/zinc/16/77/86/759167786.db2.gz YNKQAIMEPBAJQO-HPCHECBXSA-N 1 1 334.424 0.489 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@H](OC)C1 ZINC001213221823 759209041 /nfs/dbraw/zinc/20/90/41/759209041.db2.gz RMFUZVDUFFEHAH-DGCLKSJQSA-N 1 1 325.365 0.315 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@H](OC)C1 ZINC001213221823 759209050 /nfs/dbraw/zinc/20/90/50/759209050.db2.gz RMFUZVDUFFEHAH-DGCLKSJQSA-N 1 1 325.365 0.315 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(=O)n(CC)n1 ZINC001049792903 759216767 /nfs/dbraw/zinc/21/67/67/759216767.db2.gz LGEXMFRIQPIXRU-CVEARBPZSA-N 1 1 328.416 0.965 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccncc2)[C@@H](O)C1 ZINC001083601718 759245385 /nfs/dbraw/zinc/24/53/85/759245385.db2.gz KEGWRNFOTJHGLZ-CABCVRRESA-N 1 1 325.372 0.270 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn([C@H]2CCOC2)nn1 ZINC001049833050 759269979 /nfs/dbraw/zinc/26/99/79/759269979.db2.gz ATDAKPAMCGKDJK-NUEKZKHPSA-N 1 1 329.404 0.552 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)[C@@H](O)C1 ZINC001083610445 759288800 /nfs/dbraw/zinc/28/88/00/759288800.db2.gz UJRNLNLFPOGBIO-ZBFHGGJFSA-N 1 1 327.384 0.004 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCN(C(N)=O)CC1 ZINC001049883117 759341822 /nfs/dbraw/zinc/34/18/22/759341822.db2.gz HFPNMYARIMEOTB-HOTGVXAUSA-N 1 1 332.448 0.866 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001047631122 759346010 /nfs/dbraw/zinc/34/60/10/759346010.db2.gz IWEPFEQWIAPRFJ-JYJNAYRXSA-N 1 1 337.464 0.713 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049888211 759354059 /nfs/dbraw/zinc/35/40/59/759354059.db2.gz FQLKPHPYYUQUBR-STQMWFEESA-N 1 1 339.823 0.953 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049888211 759354071 /nfs/dbraw/zinc/35/40/71/759354071.db2.gz FQLKPHPYYUQUBR-STQMWFEESA-N 1 1 339.823 0.953 20 30 ECEDMO C=CCOc1ccc(CC(=O)N(C)[C@H]2C[N@@H+](CCOC)C[C@@H]2O)cc1 ZINC001047639040 759377120 /nfs/dbraw/zinc/37/71/20/759377120.db2.gz DHXQJJZKEFXJLW-ROUUACIJSA-N 1 1 348.443 0.944 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cncc(C(N)=O)c1 ZINC001049901529 759382034 /nfs/dbraw/zinc/38/20/34/759382034.db2.gz ZCCFZJVYAKNQHD-JKSUJKDBSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1COCCN1C(C)=O ZINC001049905995 759388101 /nfs/dbraw/zinc/38/81/01/759388101.db2.gz CBDWRFLIOFJOAQ-BBWFWOEESA-N 1 1 333.432 0.322 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001047653547 759415926 /nfs/dbraw/zinc/41/59/26/759415926.db2.gz LAUMNTPCBDGJIS-KBPBESRZSA-N 1 1 329.356 0.674 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001054243272 767858137 /nfs/dbraw/zinc/85/81/37/767858137.db2.gz DEQZCYWYPKLVRH-RDJZCZTQSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CCC(OC2C[NH+](CCC=C)C2)CC1 ZINC001105704237 759532912 /nfs/dbraw/zinc/53/29/12/759532912.db2.gz TXCICBVISIJCRY-UHFFFAOYSA-N 1 1 333.432 0.394 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001050011844 759546748 /nfs/dbraw/zinc/54/67/48/759546748.db2.gz SWOAFJXJOFSWIF-CORIIIEPSA-N 1 1 329.404 0.557 20 30 ECEDMO Cc1ccc(C#N)c(N(C)C[C@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001125110274 759699253 /nfs/dbraw/zinc/69/92/53/759699253.db2.gz DQKIXOSCHBHARL-HOTGVXAUSA-N 1 1 345.447 0.469 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125110844 759703919 /nfs/dbraw/zinc/70/39/19/759703919.db2.gz MGALWKNTHPHSCV-GJZGRUSLSA-N 1 1 331.420 0.160 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 ZINC001050102458 759705512 /nfs/dbraw/zinc/70/55/12/759705512.db2.gz XCHTWACUKQIIAP-JKSUJKDBSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)CN(CC(N)=O)C2 ZINC001054269057 767883323 /nfs/dbraw/zinc/88/33/23/767883323.db2.gz JBXYYLZTMVLNRK-KRWDZBQOSA-N 1 1 340.427 0.201 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)CN(CC(N)=O)C2 ZINC001054269057 767883329 /nfs/dbraw/zinc/88/33/29/767883329.db2.gz JBXYYLZTMVLNRK-KRWDZBQOSA-N 1 1 340.427 0.201 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)C2 ZINC001012333105 759736034 /nfs/dbraw/zinc/73/60/34/759736034.db2.gz QTZPPHYWXYQHIF-TZMCWYRMSA-N 1 1 329.404 0.584 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)CC1(C)C ZINC000995566197 759802262 /nfs/dbraw/zinc/80/22/62/759802262.db2.gz UJHVIKBHKBQUFT-QWHCGFSZSA-N 1 1 333.440 0.959 20 30 ECEDMO Cc1cc(NC/C=C/CNC(=O)[C@@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001107094219 759901976 /nfs/dbraw/zinc/90/19/76/759901976.db2.gz XDQSQPFYJLCIEA-CWDCEQMOSA-N 1 1 329.404 0.099 20 30 ECEDMO Cc1cc(NC/C=C/CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001107094219 759901978 /nfs/dbraw/zinc/90/19/78/759901978.db2.gz XDQSQPFYJLCIEA-CWDCEQMOSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C=C(C)C)C1 ZINC001048130404 759964883 /nfs/dbraw/zinc/96/48/83/759964883.db2.gz SSHXGNMSOFEEKQ-JYJNAYRXSA-N 1 1 333.432 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C=C(C)C)C1 ZINC001048130404 759964893 /nfs/dbraw/zinc/96/48/93/759964893.db2.gz SSHXGNMSOFEEKQ-JYJNAYRXSA-N 1 1 333.432 0.080 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](CC[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001050234441 760013254 /nfs/dbraw/zinc/01/32/54/760013254.db2.gz HBHMHWNVAOJJTN-RDJZCZTQSA-N 1 1 346.475 0.048 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001012487672 760068463 /nfs/dbraw/zinc/06/84/63/760068463.db2.gz BSKAAFAKMGOWBH-RISCZKNCSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083645573 760338638 /nfs/dbraw/zinc/33/86/38/760338638.db2.gz HSNSPEMIUYAJRL-CABCVRRESA-N 1 1 345.428 0.486 20 30 ECEDMO C=CCN1CC[C@@H](N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001017419098 767958048 /nfs/dbraw/zinc/95/80/48/767958048.db2.gz NHIOWSSQCLOLFN-VVLHAWIVSA-N 1 1 346.475 0.543 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNc1nccnc1C#N ZINC001054409699 767962631 /nfs/dbraw/zinc/96/26/31/767962631.db2.gz RVNPQYVSOIGNPV-MGPQQGTHSA-N 1 1 328.420 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@H](C)c2nncn2C)C1 ZINC001030024744 760630279 /nfs/dbraw/zinc/63/02/79/760630279.db2.gz SSDAIVIGGWLXFZ-OAGGEKHMSA-N 1 1 344.463 0.554 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@H](C)c2nncn2C)C1 ZINC001030024744 760630281 /nfs/dbraw/zinc/63/02/81/760630281.db2.gz SSDAIVIGGWLXFZ-OAGGEKHMSA-N 1 1 344.463 0.554 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@@H]12 ZINC000991388387 760644661 /nfs/dbraw/zinc/64/46/61/760644661.db2.gz QJQNUWKRILVFEH-APWZRJJASA-N 1 1 340.427 0.860 20 30 ECEDMO C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)CC1 ZINC001050727934 760738818 /nfs/dbraw/zinc/73/88/18/760738818.db2.gz NQMXXYXQELVFNF-CQSZACIVSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)CC1 ZINC001050727934 760738825 /nfs/dbraw/zinc/73/88/25/760738825.db2.gz NQMXXYXQELVFNF-CQSZACIVSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001050729927 760744602 /nfs/dbraw/zinc/74/46/02/760744602.db2.gz UJNLIAGVIZLNJY-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)C2 ZINC001048591547 760767514 /nfs/dbraw/zinc/76/75/14/760767514.db2.gz AFQYSYQZWGOWMD-QDMKHBRRSA-N 1 1 330.432 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2ncc[nH]2)CC1 ZINC001017434436 767981787 /nfs/dbraw/zinc/98/17/87/767981787.db2.gz VDVMBDOWJXXCGY-HNNXBMFYSA-N 1 1 341.415 0.396 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2ncc[nH]2)CC1 ZINC001017434436 767981792 /nfs/dbraw/zinc/98/17/92/767981792.db2.gz VDVMBDOWJXXCGY-HNNXBMFYSA-N 1 1 341.415 0.396 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048704914 760980560 /nfs/dbraw/zinc/98/05/60/760980560.db2.gz MLWFACHPDSHBHX-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001048712411 760999511 /nfs/dbraw/zinc/99/95/11/760999511.db2.gz SGMYUCRYCLOGKS-NCOADZHNSA-N 1 1 349.475 0.550 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@@H]2CCOC2)c1 ZINC001050864289 761032174 /nfs/dbraw/zinc/03/21/74/761032174.db2.gz AAAAAFNMPMKZIU-UKRRQHHQSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@@H]2CCOC2)c1 ZINC001050864289 761032184 /nfs/dbraw/zinc/03/21/84/761032184.db2.gz AAAAAFNMPMKZIU-UKRRQHHQSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)c1 ZINC001050864297 761032374 /nfs/dbraw/zinc/03/23/74/761032374.db2.gz ALQGMERZLJXKOW-DZGCQCFKSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H]2CCCOC2)c1 ZINC001050864297 761032384 /nfs/dbraw/zinc/03/23/84/761032384.db2.gz ALQGMERZLJXKOW-DZGCQCFKSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@@H]2CCOC2)[nH]1 ZINC001050872094 761045725 /nfs/dbraw/zinc/04/57/25/761045725.db2.gz JQPDCQNEBHUGCS-HIFRSBDPSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@@H]2CCOC2)[nH]1 ZINC001050872094 761045732 /nfs/dbraw/zinc/04/57/32/761045732.db2.gz JQPDCQNEBHUGCS-HIFRSBDPSA-N 1 1 332.404 0.744 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CCc3nnn(C(C)(C)C)n3)C[C@@H]2C1 ZINC001048724970 761046989 /nfs/dbraw/zinc/04/69/89/761046989.db2.gz LTROULDAOPUUDS-MELADBBJSA-N 1 1 345.451 0.520 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CCOCC2)c[nH]1 ZINC001050879820 761060321 /nfs/dbraw/zinc/06/03/21/761060321.db2.gz ICZWGUJEGUKMAY-MRXNPFEDSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CCOCC2)c[nH]1 ZINC001050879820 761060330 /nfs/dbraw/zinc/06/03/30/761060330.db2.gz ICZWGUJEGUKMAY-MRXNPFEDSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@@H]2CCOC2)c[nH]1 ZINC001050880082 761061659 /nfs/dbraw/zinc/06/16/59/761061659.db2.gz MAYNVWDTLHIWOM-CZUORRHYSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@@H]2CCOC2)c[nH]1 ZINC001050880082 761061670 /nfs/dbraw/zinc/06/16/70/761061670.db2.gz MAYNVWDTLHIWOM-CZUORRHYSA-N 1 1 332.404 0.744 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)C1=O ZINC001048748080 761106252 /nfs/dbraw/zinc/10/62/52/761106252.db2.gz AGQHZQFXVBEWMD-IJEWVQPXSA-N 1 1 341.415 0.511 20 30 ECEDMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)n1 ZINC001048750537 761110607 /nfs/dbraw/zinc/11/06/07/761110607.db2.gz YRRGMYOFNDTVGI-BETUJISGSA-N 1 1 325.376 0.219 20 30 ECEDMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)n1 ZINC001048750537 761110610 /nfs/dbraw/zinc/11/06/10/761110610.db2.gz YRRGMYOFNDTVGI-BETUJISGSA-N 1 1 325.376 0.219 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccn2nnnc12 ZINC001050934652 761169166 /nfs/dbraw/zinc/16/91/66/761169166.db2.gz SALUDJGWGZCLGP-ZDUSSCGKSA-N 1 1 330.392 0.521 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccn2nnnc12 ZINC001050934652 761169168 /nfs/dbraw/zinc/16/91/68/761169168.db2.gz SALUDJGWGZCLGP-ZDUSSCGKSA-N 1 1 330.392 0.521 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(OC2C[NH+](C[C@@H](O)COC)C2)CC1 ZINC001105719847 761317049 /nfs/dbraw/zinc/31/70/49/761317049.db2.gz PDYYHAVGUQNSNR-CQSZACIVSA-N 1 1 340.464 0.898 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001051045283 761385479 /nfs/dbraw/zinc/38/54/79/761385479.db2.gz USQSUMLGWUUTGE-HOTGVXAUSA-N 1 1 347.463 0.932 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001051045283 761385483 /nfs/dbraw/zinc/38/54/83/761385483.db2.gz USQSUMLGWUUTGE-HOTGVXAUSA-N 1 1 347.463 0.932 20 30 ECEDMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212154073 761442430 /nfs/dbraw/zinc/44/24/30/761442430.db2.gz BHMWKBJXYHVDRQ-HZPDHXFCSA-N 1 1 344.415 0.400 20 30 ECEDMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212154073 761442435 /nfs/dbraw/zinc/44/24/35/761442435.db2.gz BHMWKBJXYHVDRQ-HZPDHXFCSA-N 1 1 344.415 0.400 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2Cc2ccc(C#N)s2)C1 ZINC001051240300 761741969 /nfs/dbraw/zinc/74/19/69/761741969.db2.gz FYUVVWQOVSEGCB-KBPBESRZSA-N 1 1 348.472 0.888 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@H](C)CCNc1cc(CC)[nH+]c(C)n1 ZINC001106284960 768068448 /nfs/dbraw/zinc/06/84/48/768068448.db2.gz KEIGJJOQTGBYMA-GFCCVEGCSA-N 1 1 331.420 0.794 20 30 ECEDMO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014464645 762720886 /nfs/dbraw/zinc/72/08/86/762720886.db2.gz UZKQDHBLNIBNAT-KSZLIROESA-N 1 1 333.476 0.947 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCS(=O)(=O)C3)CCC[C@@H]12 ZINC000991685833 762727105 /nfs/dbraw/zinc/72/71/05/762727105.db2.gz XONNWPHKIQTERZ-ZMSDIMECSA-N 1 1 338.473 0.948 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCS(=O)(=O)C3)CCC[C@@H]12 ZINC000991685833 762727114 /nfs/dbraw/zinc/72/71/14/762727114.db2.gz XONNWPHKIQTERZ-ZMSDIMECSA-N 1 1 338.473 0.948 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn4c(n3)CCC4)C2)C1=O ZINC001014481076 762739284 /nfs/dbraw/zinc/73/92/84/762739284.db2.gz WXAIHDFDUXOZFG-DZGCQCFKSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn4c(n3)CCC4)C2)C1=O ZINC001014481076 762739290 /nfs/dbraw/zinc/73/92/90/762739290.db2.gz WXAIHDFDUXOZFG-DZGCQCFKSA-N 1 1 343.431 0.420 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001105933736 762885530 /nfs/dbraw/zinc/88/55/30/762885530.db2.gz BZAMVSPRURJEGI-AWEZNQCLSA-N 1 1 348.451 0.749 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C(C)C)C1 ZINC001051755936 762887216 /nfs/dbraw/zinc/88/72/16/762887216.db2.gz MCBCTQFKOORORN-CYBMUJFWSA-N 1 1 336.440 0.783 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(OCC(N)=O)cc3)CCC[C@@H]12 ZINC000991715336 762911133 /nfs/dbraw/zinc/91/11/33/762911133.db2.gz YFEWQNWLGWYKRG-VQIMIIECSA-N 1 1 341.411 0.911 20 30 ECEDMO Cc1cc(NCC[C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001106294395 768096672 /nfs/dbraw/zinc/09/66/72/768096672.db2.gz RIYHZFHEYAABHA-WBMJQRKESA-N 1 1 331.420 0.321 20 30 ECEDMO Cc1cc(NCC[C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001106294395 768096680 /nfs/dbraw/zinc/09/66/80/768096680.db2.gz RIYHZFHEYAABHA-WBMJQRKESA-N 1 1 331.420 0.321 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C3(F)CCOCC3)C2)C1=O ZINC001014659461 762966970 /nfs/dbraw/zinc/96/69/70/762966970.db2.gz OCFXTCWXJNTRHN-ZIAGYGMSSA-N 1 1 339.411 0.483 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C3(F)CCOCC3)C2)C1=O ZINC001014659461 762966973 /nfs/dbraw/zinc/96/69/73/762966973.db2.gz OCFXTCWXJNTRHN-ZIAGYGMSSA-N 1 1 339.411 0.483 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1snc(Cl)c1C#N ZINC001105943762 762983973 /nfs/dbraw/zinc/98/39/73/762983973.db2.gz AAARCSQNYFPPSQ-VIFPVBQESA-N 1 1 345.856 0.899 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046778358 763111331 /nfs/dbraw/zinc/11/13/31/763111331.db2.gz DTGVZKWFQIDBQL-XJKSGUPXSA-N 1 1 332.429 0.979 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046778358 763111337 /nfs/dbraw/zinc/11/13/37/763111337.db2.gz DTGVZKWFQIDBQL-XJKSGUPXSA-N 1 1 332.429 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(C(C)C)o2)C1 ZINC001014768248 763121387 /nfs/dbraw/zinc/12/13/87/763121387.db2.gz AJLGOHVBFPFJSH-CABCVRRESA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(C(C)C)o2)C1 ZINC001014768248 763121392 /nfs/dbraw/zinc/12/13/92/763121392.db2.gz AJLGOHVBFPFJSH-CABCVRRESA-N 1 1 345.447 0.981 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001046784104 763121443 /nfs/dbraw/zinc/12/14/43/763121443.db2.gz XCONPZWDGGCMMJ-GOSISDBHSA-N 1 1 325.368 0.788 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnnn2C(C)C)C1 ZINC001014770120 763125638 /nfs/dbraw/zinc/12/56/38/763125638.db2.gz OSGHEPQEWRCRBO-CABCVRRESA-N 1 1 345.451 0.042 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnnn2C(C)C)C1 ZINC001014770120 763125645 /nfs/dbraw/zinc/12/56/45/763125645.db2.gz OSGHEPQEWRCRBO-CABCVRRESA-N 1 1 345.451 0.042 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(CC)s2)C1 ZINC001014774008 763131956 /nfs/dbraw/zinc/13/19/56/763131956.db2.gz AREZYEXJVUGEET-KGLIPLIRSA-N 1 1 347.488 0.889 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(CC)s2)C1 ZINC001014774008 763131963 /nfs/dbraw/zinc/13/19/63/763131963.db2.gz AREZYEXJVUGEET-KGLIPLIRSA-N 1 1 347.488 0.889 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2nnn(C)n2)C1 ZINC001089844762 763147816 /nfs/dbraw/zinc/14/78/16/763147816.db2.gz BAXDSOJEIASDMC-CYDGBPFRSA-N 1 1 336.827 0.745 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001046806162 763147969 /nfs/dbraw/zinc/14/79/69/763147969.db2.gz PXBPERWXKKPHJO-KBXCAEBGSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001046806162 763147975 /nfs/dbraw/zinc/14/79/75/763147975.db2.gz PXBPERWXKKPHJO-KBXCAEBGSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)CC1CC1)C[C@@H](C)O2 ZINC001111531675 763182426 /nfs/dbraw/zinc/18/24/26/763182426.db2.gz GTQMBPCUXOQUHQ-OAHLLOKOSA-N 1 1 347.459 0.618 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)s1 ZINC001014811572 763213623 /nfs/dbraw/zinc/21/36/23/763213623.db2.gz MSAIQHZJRICUBQ-RISCZKNCSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)s1 ZINC001014811572 763213632 /nfs/dbraw/zinc/21/36/32/763213632.db2.gz MSAIQHZJRICUBQ-RISCZKNCSA-N 1 1 332.429 0.836 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nncs3)C2)cn1 ZINC001051906610 763297928 /nfs/dbraw/zinc/29/79/28/763297928.db2.gz REKNOZNGMUYJGH-AWEZNQCLSA-N 1 1 343.412 0.545 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@](C)(C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001046900359 763343892 /nfs/dbraw/zinc/34/38/92/763343892.db2.gz BWUWBAJUAZZFAQ-VQIMIIECSA-N 1 1 346.475 0.048 20 30 ECEDMO N#Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)CN3CCCC3)CCO2)c1 ZINC001051932266 763372117 /nfs/dbraw/zinc/37/21/17/763372117.db2.gz MSTPLTLNMCOYEM-SFHVURJKSA-N 1 1 342.443 0.971 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000993134139 768129795 /nfs/dbraw/zinc/12/97/95/768129795.db2.gz JCPOPIBMMBOCNE-APWZRJJASA-N 1 1 340.427 0.912 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001046926044 763398528 /nfs/dbraw/zinc/39/85/28/763398528.db2.gz LWCPDZUEVIGUAH-GFCCVEGCSA-N 1 1 325.363 0.834 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001046926044 763398533 /nfs/dbraw/zinc/39/85/33/763398533.db2.gz LWCPDZUEVIGUAH-GFCCVEGCSA-N 1 1 325.363 0.834 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)c1 ZINC001031896492 763423725 /nfs/dbraw/zinc/42/37/25/763423725.db2.gz HHFVQGBBKSMRKU-HZPDHXFCSA-N 1 1 326.400 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C(C)C)o2)C1 ZINC001030462058 763434476 /nfs/dbraw/zinc/43/44/76/763434476.db2.gz JPFACTXFZWKJBP-AWEZNQCLSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C(C)C)o2)C1 ZINC001030462058 763434482 /nfs/dbraw/zinc/43/44/82/763434482.db2.gz JPFACTXFZWKJBP-AWEZNQCLSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nnc(CC)o2)C1 ZINC001030463232 763443938 /nfs/dbraw/zinc/44/39/38/763443938.db2.gz GZGBQWQGIMLOPZ-JSGCOSHPSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nnc(CC)o2)C1 ZINC001030463232 763443941 /nfs/dbraw/zinc/44/39/41/763443941.db2.gz GZGBQWQGIMLOPZ-JSGCOSHPSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(C3CC3)no2)C1 ZINC001030464458 763458375 /nfs/dbraw/zinc/45/83/75/763458375.db2.gz UXQOFFGRBYQKHR-AWEZNQCLSA-N 1 1 329.404 0.345 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(C3CC3)no2)C1 ZINC001030464458 763458380 /nfs/dbraw/zinc/45/83/80/763458380.db2.gz UXQOFFGRBYQKHR-AWEZNQCLSA-N 1 1 329.404 0.345 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001046958799 763463806 /nfs/dbraw/zinc/46/38/06/763463806.db2.gz QJXRBRKGDNALSK-GFCCVEGCSA-N 1 1 348.357 0.684 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001046958799 763463811 /nfs/dbraw/zinc/46/38/11/763463811.db2.gz QJXRBRKGDNALSK-GFCCVEGCSA-N 1 1 348.357 0.684 20 30 ECEDMO CN1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001031903137 763479730 /nfs/dbraw/zinc/47/97/30/763479730.db2.gz VLBKYMNSHCJJID-CYBMUJFWSA-N 1 1 333.417 0.191 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001046968397 763484688 /nfs/dbraw/zinc/48/46/88/763484688.db2.gz FVHLKFGJXYHQJF-RWMBFGLXSA-N 1 1 329.391 0.970 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001046972995 763493307 /nfs/dbraw/zinc/49/33/07/763493307.db2.gz WZEADEIOQRIDRL-NWDGAFQWSA-N 1 1 337.374 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001046972995 763493309 /nfs/dbraw/zinc/49/33/09/763493309.db2.gz WZEADEIOQRIDRL-NWDGAFQWSA-N 1 1 337.374 0.931 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001046985436 763515829 /nfs/dbraw/zinc/51/58/29/763515829.db2.gz DWPYBUSFTHCHFQ-LLVKDONJSA-N 1 1 349.341 0.755 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001046985436 763515835 /nfs/dbraw/zinc/51/58/35/763515835.db2.gz DWPYBUSFTHCHFQ-LLVKDONJSA-N 1 1 349.341 0.755 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)C1 ZINC001046996250 763537064 /nfs/dbraw/zinc/53/70/64/763537064.db2.gz NWFFCEODBOKYQY-CHWSQXEVSA-N 1 1 330.379 0.304 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)C1 ZINC001046996250 763537068 /nfs/dbraw/zinc/53/70/68/763537068.db2.gz NWFFCEODBOKYQY-CHWSQXEVSA-N 1 1 330.379 0.304 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCn2cncn2)C3)c1 ZINC001047050975 763593849 /nfs/dbraw/zinc/59/38/49/763593849.db2.gz UAFSVEPYICOVKE-CFVMTHIKSA-N 1 1 339.403 0.761 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2nccnc2C#N)C1 ZINC001106004412 763598025 /nfs/dbraw/zinc/59/80/25/763598025.db2.gz QXECWTFCCQOZLJ-UONOGXRCSA-N 1 1 346.435 0.215 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212184876 763606439 /nfs/dbraw/zinc/60/64/39/763606439.db2.gz HNHFFCIQQFVDLT-BZUAXINKSA-N 1 1 335.448 0.615 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212184876 763606444 /nfs/dbraw/zinc/60/64/44/763606444.db2.gz HNHFFCIQQFVDLT-BZUAXINKSA-N 1 1 335.448 0.615 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033997 763638116 /nfs/dbraw/zinc/63/81/16/763638116.db2.gz YUGJBMLESNGOAG-DLBZAZTESA-N 1 1 346.475 0.095 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccnn3C)C2)CC1 ZINC001052035840 763645460 /nfs/dbraw/zinc/64/54/60/763645460.db2.gz RMPUCXXXMIYBSQ-GOSISDBHSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C2)CC1 ZINC001052041047 763665338 /nfs/dbraw/zinc/66/53/38/763665338.db2.gz QMUQIJCAUKNRSZ-INIZCTEOSA-N 1 1 338.415 0.423 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)nc3CC)C2)CC1 ZINC001052041616 763668347 /nfs/dbraw/zinc/66/83/47/763668347.db2.gz MUQFAYVCLBEBTM-OAHLLOKOSA-N 1 1 329.448 0.448 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052041872 763669486 /nfs/dbraw/zinc/66/94/86/763669486.db2.gz UPQIDSXEOKPNOB-MSOLQXFVSA-N 1 1 334.508 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052043476 763674640 /nfs/dbraw/zinc/67/46/40/763674640.db2.gz ZIMNDJWIGFDVBP-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052043476 763674643 /nfs/dbraw/zinc/67/46/43/763674643.db2.gz ZIMNDJWIGFDVBP-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052044737 763680133 /nfs/dbraw/zinc/68/01/33/763680133.db2.gz LDGARJQHGXWWQH-QZTJIDSGSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052044737 763680139 /nfs/dbraw/zinc/68/01/39/763680139.db2.gz LDGARJQHGXWWQH-QZTJIDSGSA-N 1 1 332.492 0.713 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)CC1 ZINC001052044943 763681178 /nfs/dbraw/zinc/68/11/78/763681178.db2.gz NYRHISHRKCCEEJ-IAGOWNOFSA-N 1 1 343.475 0.850 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045727 763684554 /nfs/dbraw/zinc/68/45/54/763684554.db2.gz WWUHAYRYJVGPOX-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045727 763684556 /nfs/dbraw/zinc/68/45/56/763684556.db2.gz WWUHAYRYJVGPOX-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C2)CC1 ZINC001052047240 763690287 /nfs/dbraw/zinc/69/02/87/763690287.db2.gz JUDKFLDOLCVYEM-AWEZNQCLSA-N 1 1 338.415 0.375 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC001052047630 763691042 /nfs/dbraw/zinc/69/10/42/763691042.db2.gz ULGLWPXTZCZASY-HKUYNNGSSA-N 1 1 339.439 0.842 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC001052048091 763694014 /nfs/dbraw/zinc/69/40/14/763694014.db2.gz KSBOPHNBYRVQGD-MRXNPFEDSA-N 1 1 334.464 0.403 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC001052048091 763694020 /nfs/dbraw/zinc/69/40/20/763694020.db2.gz KSBOPHNBYRVQGD-MRXNPFEDSA-N 1 1 334.464 0.403 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)s1 ZINC001015046231 763746434 /nfs/dbraw/zinc/74/64/34/763746434.db2.gz YSWFTPUGZZLQPJ-NEPJUHHUSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)s1 ZINC001015046231 763746442 /nfs/dbraw/zinc/74/64/42/763746442.db2.gz YSWFTPUGZZLQPJ-NEPJUHHUSA-N 1 1 332.429 0.836 20 30 ECEDMO C=C(Br)CN1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030515624 763761068 /nfs/dbraw/zinc/76/10/68/763761068.db2.gz DHRPXSOAOKNTNX-ZYHUDNBSSA-N 1 1 332.242 0.415 20 30 ECEDMO C=C(Br)CN1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030515624 763761072 /nfs/dbraw/zinc/76/10/72/763761072.db2.gz DHRPXSOAOKNTNX-ZYHUDNBSSA-N 1 1 332.242 0.415 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCC(O)(CNc2cnc(C#N)cn2)CC1 ZINC001112449792 763761223 /nfs/dbraw/zinc/76/12/23/763761223.db2.gz RMIJQZXEKHUBEM-UHFFFAOYSA-N 1 1 346.435 0.455 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052087402 763818589 /nfs/dbraw/zinc/81/85/89/763818589.db2.gz VKAYQYAFAZPGPY-MRXNPFEDSA-N 1 1 349.866 0.778 20 30 ECEDMO C[C@@H](CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)n1ccnc1 ZINC001052087748 763819716 /nfs/dbraw/zinc/81/97/16/763819716.db2.gz BMPPNRJWLHWSOK-HOTGVXAUSA-N 1 1 330.436 0.576 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CCCC3)C2)C1=O ZINC001047277803 763867510 /nfs/dbraw/zinc/86/75/10/763867510.db2.gz HADNOKDQKMYSMP-PMPSAXMXSA-N 1 1 335.448 0.467 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CCCC3)C2)C1=O ZINC001047277803 763867516 /nfs/dbraw/zinc/86/75/16/763867516.db2.gz HADNOKDQKMYSMP-PMPSAXMXSA-N 1 1 335.448 0.467 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3coc(COC)n3)C2)CC1 ZINC001052103911 763870672 /nfs/dbraw/zinc/87/06/72/763870672.db2.gz VVVINKSMLMHIJG-AWEZNQCLSA-N 1 1 334.420 0.839 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3ccsc3)C2)CC1 ZINC001052108515 763891171 /nfs/dbraw/zinc/89/11/71/763891171.db2.gz NVRHQVXQXZLOMY-CQSZACIVSA-N 1 1 334.445 0.869 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2cc(C)ncc2C#N)C1 ZINC001106345063 768173239 /nfs/dbraw/zinc/17/32/39/768173239.db2.gz VPWAIHOGHNCYLW-GUYCJALGSA-N 1 1 345.447 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2cc(C)ncc2C#N)C1 ZINC001106345063 768173241 /nfs/dbraw/zinc/17/32/41/768173241.db2.gz VPWAIHOGHNCYLW-GUYCJALGSA-N 1 1 345.447 0.711 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(C)c3OC)C2)CC1 ZINC001052113152 763911132 /nfs/dbraw/zinc/91/11/32/763911132.db2.gz NUNOHPGXQXQRNX-AWEZNQCLSA-N 1 1 333.436 0.447 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113566 763913857 /nfs/dbraw/zinc/91/38/57/763913857.db2.gz ZLVAFMLONAUTJB-CVEARBPZSA-N 1 1 347.463 0.177 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)CC1 ZINC001052117146 763927081 /nfs/dbraw/zinc/92/70/81/763927081.db2.gz HQQIPEQEVYEDRC-MRXNPFEDSA-N 1 1 329.448 0.421 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052118290 763932096 /nfs/dbraw/zinc/93/20/96/763932096.db2.gz BMJQKQIFEVEXAV-IAGOWNOFSA-N 1 1 333.480 0.603 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052120141 763938208 /nfs/dbraw/zinc/93/82/08/763938208.db2.gz ZIKZZLJFKKAKGX-GOEBONIOSA-N 1 1 342.447 0.257 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)c1cnn(C)c1 ZINC001052123432 763950263 /nfs/dbraw/zinc/95/02/63/763950263.db2.gz ILDBBSZSPXKYHW-ZBFHGGJFSA-N 1 1 330.436 0.266 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cscn3)C2)CC1 ZINC001052124206 763952584 /nfs/dbraw/zinc/95/25/84/763952584.db2.gz ZXADYNJBOTXJQG-INIZCTEOSA-N 1 1 332.473 0.927 20 30 ECEDMO CN(C(=O)[C@@H]1CCCOC1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047318658 763981058 /nfs/dbraw/zinc/98/10/58/763981058.db2.gz XXVVTZJXBAZPDL-SQNIBIBYSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)[C@@H]1CCCOC1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047318658 763981064 /nfs/dbraw/zinc/98/10/64/763981064.db2.gz XXVVTZJXBAZPDL-SQNIBIBYSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047322292 763991526 /nfs/dbraw/zinc/99/15/26/763991526.db2.gz NXFSCNNBJBALMN-BZSNNMDCSA-N 1 1 342.443 0.656 20 30 ECEDMO C=CCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001052181505 764017427 /nfs/dbraw/zinc/01/74/27/764017427.db2.gz NBJBOOBVSCEAEN-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO Cc1ccncc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047335833 764039964 /nfs/dbraw/zinc/03/99/64/764039964.db2.gz OFQLHKVCRAGAFO-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1ccncc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047335833 764039972 /nfs/dbraw/zinc/03/99/72/764039972.db2.gz OFQLHKVCRAGAFO-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccn[nH]3)CC2)C1=O ZINC001052223014 764085258 /nfs/dbraw/zinc/08/52/58/764085258.db2.gz AZLPRSXHNFQUME-DZGCQCFKSA-N 1 1 331.420 0.781 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001047353565 764088726 /nfs/dbraw/zinc/08/87/26/764088726.db2.gz GAHORLHVCOVEMG-RCBQFDQVSA-N 1 1 332.404 0.430 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001047354412 764092490 /nfs/dbraw/zinc/09/24/90/764092490.db2.gz WOGGBKFYTFYPNC-IRXDYDNUSA-N 1 1 346.431 0.820 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)[C@@H]1C ZINC001088868708 764094924 /nfs/dbraw/zinc/09/49/24/764094924.db2.gz USVOAEGIDWGGFP-WCVJEAGWSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cn3nc(C)cc3C)C2)C1=O ZINC001015185358 764096552 /nfs/dbraw/zinc/09/65/52/764096552.db2.gz IOECDGUNUAZMFG-HZPDHXFCSA-N 1 1 345.447 0.477 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cn3nc(C)cc3C)C2)C1=O ZINC001015185358 764096560 /nfs/dbraw/zinc/09/65/60/764096560.db2.gz IOECDGUNUAZMFG-HZPDHXFCSA-N 1 1 345.447 0.477 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCOC)c2C)C1 ZINC001047380809 764170372 /nfs/dbraw/zinc/17/03/72/764170372.db2.gz XZEKWYZQHACDHT-HOTGVXAUSA-N 1 1 336.436 0.531 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCNc1ccnc(C#N)n1 ZINC001106361773 768195525 /nfs/dbraw/zinc/19/55/25/768195525.db2.gz IZEXCMGVSDGKEZ-KGLIPLIRSA-N 1 1 330.436 0.951 20 30 ECEDMO C=CCOCC(=O)NCC[NH2+]Cc1cc(=O)n2c(C)csc2n1 ZINC001124765155 764219416 /nfs/dbraw/zinc/21/94/16/764219416.db2.gz NDFVCKQTGRVWEK-UHFFFAOYSA-N 1 1 336.417 0.473 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001047405831 764238755 /nfs/dbraw/zinc/23/87/55/764238755.db2.gz XJPNPXVRDVPQMR-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2)nn1 ZINC001052321021 764245148 /nfs/dbraw/zinc/24/51/48/764245148.db2.gz YFTLMPVXZILSMR-GFCCVEGCSA-N 1 1 327.392 0.799 20 30 ECEDMO Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2)nn1 ZINC001052321021 764245152 /nfs/dbraw/zinc/24/51/52/764245152.db2.gz YFTLMPVXZILSMR-GFCCVEGCSA-N 1 1 327.392 0.799 20 30 ECEDMO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047411314 764262051 /nfs/dbraw/zinc/26/20/51/764262051.db2.gz WHHCFTYCGHXTIQ-HOTGVXAUSA-N 1 1 344.419 0.083 20 30 ECEDMO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047411314 764262056 /nfs/dbraw/zinc/26/20/56/764262056.db2.gz WHHCFTYCGHXTIQ-HOTGVXAUSA-N 1 1 344.419 0.083 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn3ccccc23)C1 ZINC001047412813 764265137 /nfs/dbraw/zinc/26/51/37/764265137.db2.gz JIOUKDXYHZHNRC-IRXDYDNUSA-N 1 1 326.400 0.404 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](CC)OC)C[C@@H]1O ZINC001047415360 764274951 /nfs/dbraw/zinc/27/49/51/764274951.db2.gz VNWZFBFYGHMULW-QAETUUGQSA-N 1 1 337.464 0.013 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106988029 764276661 /nfs/dbraw/zinc/27/66/61/764276661.db2.gz LBZHJJLLIMGJSH-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106988029 764276666 /nfs/dbraw/zinc/27/66/66/764276666.db2.gz LBZHJJLLIMGJSH-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001032044456 764277224 /nfs/dbraw/zinc/27/72/24/764277224.db2.gz WZZIXKBADFBTNT-RDJZCZTQSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001052351879 764314518 /nfs/dbraw/zinc/31/45/18/764314518.db2.gz GYKYILXSXJNLAK-GHMZBOCLSA-N 1 1 346.225 0.974 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001052351879 764314527 /nfs/dbraw/zinc/31/45/27/764314527.db2.gz GYKYILXSXJNLAK-GHMZBOCLSA-N 1 1 346.225 0.974 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001052351881 764314541 /nfs/dbraw/zinc/31/45/41/764314541.db2.gz GYKYILXSXJNLAK-QWRGUYRKSA-N 1 1 346.225 0.974 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001052351881 764314550 /nfs/dbraw/zinc/31/45/50/764314550.db2.gz GYKYILXSXJNLAK-QWRGUYRKSA-N 1 1 346.225 0.974 20 30 ECEDMO C=CCN1CC[C@@H](N2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001015296623 764324824 /nfs/dbraw/zinc/32/48/24/764324824.db2.gz XBZZARZFKVOBKQ-LSDHHAIUSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001047433660 764332901 /nfs/dbraw/zinc/33/29/01/764332901.db2.gz FZZATWSFXLNXHG-KBPBESRZSA-N 1 1 329.404 0.649 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001047433660 764332903 /nfs/dbraw/zinc/33/29/03/764332903.db2.gz FZZATWSFXLNXHG-KBPBESRZSA-N 1 1 329.404 0.649 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C2CCC2)C1 ZINC001047435318 764337280 /nfs/dbraw/zinc/33/72/80/764337280.db2.gz IZGJZJOWRBBXEO-HOTGVXAUSA-N 1 1 330.432 0.828 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2-n2cnnn2)C1 ZINC001047438230 764344671 /nfs/dbraw/zinc/34/46/71/764344671.db2.gz DCTLJLFNLKEPPU-STQMWFEESA-N 1 1 348.432 0.417 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001077479129 764362787 /nfs/dbraw/zinc/36/27/87/764362787.db2.gz VXGQMFCQXCFBED-ZIAGYGMSSA-N 1 1 328.376 0.013 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)ncc1=O ZINC001015323324 764366574 /nfs/dbraw/zinc/36/65/74/764366574.db2.gz HVTWMUWLKBYKMU-OAHLLOKOSA-N 1 1 337.383 0.656 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2OCC(N)=O)C1 ZINC001047450730 764384767 /nfs/dbraw/zinc/38/47/67/764384767.db2.gz RAUMPXBKBMIYHV-GJZGRUSLSA-N 1 1 347.415 0.244 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001047456495 764399291 /nfs/dbraw/zinc/39/92/91/764399291.db2.gz QWJQHYBICDZUSO-XIRDDKMYSA-N 1 1 346.402 0.904 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001047456495 764399297 /nfs/dbraw/zinc/39/92/97/764399297.db2.gz QWJQHYBICDZUSO-XIRDDKMYSA-N 1 1 346.402 0.904 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)COC2CCOCC2)C1 ZINC001089872653 764400492 /nfs/dbraw/zinc/40/04/92/764400492.db2.gz IDMXGTXKGHOIQB-DKIMLUQUSA-N 1 1 332.444 0.984 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)c3cccnc32)C1 ZINC001047465982 764424622 /nfs/dbraw/zinc/42/46/22/764424622.db2.gz JLBBJAVIHLAVIC-HOTGVXAUSA-N 1 1 341.415 0.267 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)c3cccnc32)C1 ZINC001047465982 764424627 /nfs/dbraw/zinc/42/46/27/764424627.db2.gz JLBBJAVIHLAVIC-HOTGVXAUSA-N 1 1 341.415 0.267 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnn(CC)c3C)C2)C1=O ZINC001032068956 764440853 /nfs/dbraw/zinc/44/08/53/764440853.db2.gz WESOAKAQMGFFNW-INIZCTEOSA-N 1 1 345.447 0.660 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001047479613 764466040 /nfs/dbraw/zinc/46/60/40/764466040.db2.gz UQYMWRKEDGLQGP-HOTGVXAUSA-N 1 1 343.431 0.904 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CNC(=O)C1 ZINC001015376103 764472823 /nfs/dbraw/zinc/47/28/23/764472823.db2.gz LWJZEROCPZOWLO-ZBEGNZNMSA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CNC(=O)C1 ZINC001015376103 764472827 /nfs/dbraw/zinc/47/28/27/764472827.db2.gz LWJZEROCPZOWLO-ZBEGNZNMSA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CNC(=O)C1 ZINC001015376101 764473331 /nfs/dbraw/zinc/47/33/31/764473331.db2.gz LWJZEROCPZOWLO-BZNIZROVSA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CNC(=O)C1 ZINC001015376101 764473339 /nfs/dbraw/zinc/47/33/39/764473339.db2.gz LWJZEROCPZOWLO-BZNIZROVSA-N 1 1 332.429 0.836 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001052428419 764474077 /nfs/dbraw/zinc/47/40/77/764474077.db2.gz IGXWSEAVPMHUMF-HNNXBMFYSA-N 1 1 348.447 0.484 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001077579730 764492148 /nfs/dbraw/zinc/49/21/48/764492148.db2.gz NSBJJNUWNZNTRO-BFHYXJOUSA-N 1 1 329.391 0.148 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001077579730 764492158 /nfs/dbraw/zinc/49/21/58/764492158.db2.gz NSBJJNUWNZNTRO-BFHYXJOUSA-N 1 1 329.391 0.148 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCC(=O)N(C)C)C2)nn1 ZINC001098766405 764496346 /nfs/dbraw/zinc/49/63/46/764496346.db2.gz CGWMJDJPPGUKDE-OAHLLOKOSA-N 1 1 348.451 0.586 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001047499250 764518143 /nfs/dbraw/zinc/51/81/43/764518143.db2.gz DFQPILHICZCWBO-JYJNAYRXSA-N 1 1 325.453 0.175 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001047500890 764524779 /nfs/dbraw/zinc/52/47/79/764524779.db2.gz KYPMZBNUXPZYTM-SOUVJXGZSA-N 1 1 334.420 0.954 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001047502018 764529564 /nfs/dbraw/zinc/52/95/64/764529564.db2.gz ZTSDJKQFKNQXOB-JLSDUUJJSA-N 1 1 346.475 0.995 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(CC(F)F)CC2)C1 ZINC001047503699 764534469 /nfs/dbraw/zinc/53/44/69/764534469.db2.gz IJBUBHCPUZPRDE-KBPBESRZSA-N 1 1 331.407 0.653 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(CC(F)F)CC2)C1 ZINC001047503699 764534475 /nfs/dbraw/zinc/53/44/75/764534475.db2.gz IJBUBHCPUZPRDE-KBPBESRZSA-N 1 1 331.407 0.653 20 30 ECEDMO C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C[C@H]1C ZINC001106384907 768224041 /nfs/dbraw/zinc/22/40/41/768224041.db2.gz XABKADANXMAFTA-HUUCEWRRSA-N 1 1 332.448 0.692 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2ncn3C)C1 ZINC001047524156 764586523 /nfs/dbraw/zinc/58/65/23/764586523.db2.gz CUGDYFIFIJHPLD-KBPBESRZSA-N 1 1 327.388 0.109 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2ncn3C)C1 ZINC001047524156 764586527 /nfs/dbraw/zinc/58/65/27/764586527.db2.gz CUGDYFIFIJHPLD-KBPBESRZSA-N 1 1 327.388 0.109 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001047528168 764601124 /nfs/dbraw/zinc/60/11/24/764601124.db2.gz LWSPRAZNTGCIPW-MPGHIAIKSA-N 1 1 339.455 0.726 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047528168 764601132 /nfs/dbraw/zinc/60/11/32/764601132.db2.gz LWSPRAZNTGCIPW-MPGHIAIKSA-N 1 1 339.455 0.726 20 30 ECEDMO CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528382 764602540 /nfs/dbraw/zinc/60/25/40/764602540.db2.gz PYWMTYLCPKXKQO-PVAVHDDUSA-N 1 1 330.432 0.281 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cncc(C)c2)C[C@@H]1O ZINC001047530265 764610558 /nfs/dbraw/zinc/61/05/58/764610558.db2.gz WRQQUBXBESDXOV-OWSLCNJRSA-N 1 1 345.443 0.985 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cncc(C)c2)C[C@@H]1O ZINC001047530265 764610570 /nfs/dbraw/zinc/61/05/70/764610570.db2.gz WRQQUBXBESDXOV-OWSLCNJRSA-N 1 1 345.443 0.985 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)CC[NH+]2CCOCC2)n1 ZINC001106382972 768228497 /nfs/dbraw/zinc/22/84/97/768228497.db2.gz LJEVDWBULCBJMB-ZDUSSCGKSA-N 1 1 346.435 0.686 20 30 ECEDMO C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)CC[NH+]1CCOCC1 ZINC001106383265 768229232 /nfs/dbraw/zinc/22/92/32/768229232.db2.gz PLJZECSQQAXSSY-ZDUSSCGKSA-N 1 1 332.408 0.377 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnccc1=O ZINC001089882805 764660163 /nfs/dbraw/zinc/66/01/63/764660163.db2.gz GRGRBIPZTCULSJ-NXOAAHMSSA-N 1 1 340.427 0.435 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCOCCO ZINC001099070523 764664728 /nfs/dbraw/zinc/66/47/28/764664728.db2.gz ZAXWZCJYKHEGIH-INIZCTEOSA-N 1 1 340.464 0.642 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(N3CCOCC3)CCCC2)C1 ZINC001047552603 764670608 /nfs/dbraw/zinc/67/06/08/764670608.db2.gz MUJGOQGTOLDHBX-IRXDYDNUSA-N 1 1 349.475 0.158 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(N3CCOCC3)CCCC2)C1 ZINC001047552603 764670614 /nfs/dbraw/zinc/67/06/14/764670614.db2.gz MUJGOQGTOLDHBX-IRXDYDNUSA-N 1 1 349.475 0.158 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(N3CCCC3)n2)C1 ZINC001047553189 764674696 /nfs/dbraw/zinc/67/46/96/764674696.db2.gz SLENCGWVKCNYPS-GJZGRUSLSA-N 1 1 331.420 0.380 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(N3CCCC3)n2)C1 ZINC001047553189 764674703 /nfs/dbraw/zinc/67/47/03/764674703.db2.gz SLENCGWVKCNYPS-GJZGRUSLSA-N 1 1 331.420 0.380 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@@H]2O)cc1 ZINC001047556915 764687150 /nfs/dbraw/zinc/68/71/50/764687150.db2.gz VCDBXIHMFNHEGE-JLSDUUJJSA-N 1 1 346.427 0.851 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C2CCOCC2)C1 ZINC001047557344 764687461 /nfs/dbraw/zinc/68/74/61/764687461.db2.gz RDOXOJLXAIODNU-IRXDYDNUSA-N 1 1 348.447 0.928 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C2CCOCC2)C1 ZINC001047557432 764687864 /nfs/dbraw/zinc/68/78/64/764687864.db2.gz WEHPFRKVFUSDPE-IRXDYDNUSA-N 1 1 346.431 0.375 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001047561436 764696050 /nfs/dbraw/zinc/69/60/50/764696050.db2.gz KJNRRMGFUNGFIP-VSZNYVQBSA-N 1 1 328.412 0.696 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001047561436 764696053 /nfs/dbraw/zinc/69/60/53/764696053.db2.gz KJNRRMGFUNGFIP-VSZNYVQBSA-N 1 1 328.412 0.696 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC001052532032 764704332 /nfs/dbraw/zinc/70/43/32/764704332.db2.gz WCWVDTOPVDLCNT-ZDUSSCGKSA-N 1 1 328.372 0.630 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001052534396 764708440 /nfs/dbraw/zinc/70/84/40/764708440.db2.gz JJCGHKRMFLWNBP-GFCCVEGCSA-N 1 1 340.811 0.672 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(CCC)n[nH]3)C2)C1=O ZINC001015471265 764714120 /nfs/dbraw/zinc/71/41/20/764714120.db2.gz MRIYNXYTCRWVKI-GOEBONIOSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(CCC)n[nH]3)C2)C1=O ZINC001015471265 764714131 /nfs/dbraw/zinc/71/41/31/764714131.db2.gz MRIYNXYTCRWVKI-GOEBONIOSA-N 1 1 345.447 0.953 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC001015481067 764744525 /nfs/dbraw/zinc/74/45/25/764744525.db2.gz CDYLCBDBJHJDJY-WBVHZDCISA-N 1 1 346.452 0.907 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC001015481067 764744532 /nfs/dbraw/zinc/74/45/32/764744532.db2.gz CDYLCBDBJHJDJY-WBVHZDCISA-N 1 1 346.452 0.907 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001052554898 764748107 /nfs/dbraw/zinc/74/81/07/764748107.db2.gz TUIGBIYXGLVWPI-CZUORRHYSA-N 1 1 328.416 0.816 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1OC ZINC001212193967 764759060 /nfs/dbraw/zinc/75/90/60/764759060.db2.gz LTSUTXOPSKDSMY-NUJGCVRESA-N 1 1 340.464 0.946 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3nccc3nc2C)C1 ZINC001047581561 764767968 /nfs/dbraw/zinc/76/79/68/764767968.db2.gz FEADUABMVUQLRA-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3nccc3nc2C)C1 ZINC001047581561 764767977 /nfs/dbraw/zinc/76/79/77/764767977.db2.gz FEADUABMVUQLRA-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2noc3c2C[C@@H](C)CC3)C1 ZINC001047582156 764770057 /nfs/dbraw/zinc/77/00/57/764770057.db2.gz HPOCSDGSLYEOSQ-QEJZJMRPSA-N 1 1 331.416 0.940 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(C)nc3OC)C2)C1=O ZINC001015495249 764795525 /nfs/dbraw/zinc/79/55/25/764795525.db2.gz KICFKAIEMOLHKT-OCCSQVGLSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cn(C)nc3OC)C2)C1=O ZINC001015495249 764795531 /nfs/dbraw/zinc/79/55/31/764795531.db2.gz KICFKAIEMOLHKT-OCCSQVGLSA-N 1 1 347.419 0.020 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001047590184 764799584 /nfs/dbraw/zinc/79/95/84/764799584.db2.gz ZUDDCYPHVFPCOI-BQFCYCMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001047593357 764811622 /nfs/dbraw/zinc/81/16/22/764811622.db2.gz GTYCLBDREKWXDR-HOTGVXAUSA-N 1 1 346.431 0.959 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001047593357 764811625 /nfs/dbraw/zinc/81/16/25/764811625.db2.gz GTYCLBDREKWXDR-HOTGVXAUSA-N 1 1 346.431 0.959 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001047598979 764834978 /nfs/dbraw/zinc/83/49/78/764834978.db2.gz CGNHGGOMELHIQQ-IRXDYDNUSA-N 1 1 343.427 0.529 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001047598979 764834987 /nfs/dbraw/zinc/83/49/87/764834987.db2.gz CGNHGGOMELHIQQ-IRXDYDNUSA-N 1 1 343.427 0.529 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001047599583 764837928 /nfs/dbraw/zinc/83/79/28/764837928.db2.gz AQMKCICKDAODOT-HOTGVXAUSA-N 1 1 329.400 0.139 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001047599583 764837936 /nfs/dbraw/zinc/83/79/36/764837936.db2.gz AQMKCICKDAODOT-HOTGVXAUSA-N 1 1 329.400 0.139 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccn(C)n3)[C@H]2C)C1=O ZINC001089036518 764849686 /nfs/dbraw/zinc/84/96/86/764849686.db2.gz KMVKZRUGTCZSDF-VNHYZAJKSA-N 1 1 331.420 0.400 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccn(C)n3)[C@H]2C)C1=O ZINC001089036518 764849695 /nfs/dbraw/zinc/84/96/95/764849695.db2.gz KMVKZRUGTCZSDF-VNHYZAJKSA-N 1 1 331.420 0.400 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)NC1=O ZINC001015514341 764850261 /nfs/dbraw/zinc/85/02/61/764850261.db2.gz PQZXTJCKMOXEQN-UKRRQHHQSA-N 1 1 345.378 0.411 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)NC1=O ZINC001015514341 764850266 /nfs/dbraw/zinc/85/02/66/764850266.db2.gz PQZXTJCKMOXEQN-UKRRQHHQSA-N 1 1 345.378 0.411 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047609191 764869027 /nfs/dbraw/zinc/86/90/27/764869027.db2.gz BALNWRKPWDJCBS-MNEFBYGVSA-N 1 1 342.439 0.750 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCCO3)C1 ZINC001047623704 764909593 /nfs/dbraw/zinc/90/95/93/764909593.db2.gz MWDAJIIKUMKWFM-GJZGRUSLSA-N 1 1 330.384 0.598 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001047624332 764913862 /nfs/dbraw/zinc/91/38/62/764913862.db2.gz LDVDKMINXTUZFP-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001047624332 764913871 /nfs/dbraw/zinc/91/38/71/764913871.db2.gz LDVDKMINXTUZFP-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)cc1 ZINC001052670091 764968863 /nfs/dbraw/zinc/96/88/63/764968863.db2.gz ADZOZURUCVARBK-HOTGVXAUSA-N 1 1 341.415 0.710 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@@H]12 ZINC000991975202 765022198 /nfs/dbraw/zinc/02/21/98/765022198.db2.gz OPSCMAASUJYDSE-HDMKZQKVSA-N 1 1 341.415 0.502 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001052731378 765051291 /nfs/dbraw/zinc/05/12/91/765051291.db2.gz PXDPYYHRGVCBEH-GJZGRUSLSA-N 1 1 330.436 0.620 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001052759596 765075568 /nfs/dbraw/zinc/07/55/68/765075568.db2.gz WMLDXMMZBRCXBP-OAHLLOKOSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001052761748 765077363 /nfs/dbraw/zinc/07/73/63/765077363.db2.gz RXFOGTFWANGVGZ-ZDUSSCGKSA-N 1 1 330.392 0.048 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1 ZINC001052784457 765116285 /nfs/dbraw/zinc/11/62/85/765116285.db2.gz QWVKPKBYTUUHSH-GDBMZVCRSA-N 1 1 326.462 0.948 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001015675613 765147583 /nfs/dbraw/zinc/14/75/83/765147583.db2.gz BXIUULSYHKGECW-CABCVRRESA-N 1 1 335.448 0.517 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)c1 ZINC000992011085 765149522 /nfs/dbraw/zinc/14/95/22/765149522.db2.gz QFMFQZKLFMHGHI-GOEBONIOSA-N 1 1 341.415 0.844 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001015678391 765150512 /nfs/dbraw/zinc/15/05/12/765150512.db2.gz GRQWEZXSWOLBTD-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001015678391 765150516 /nfs/dbraw/zinc/15/05/16/765150516.db2.gz GRQWEZXSWOLBTD-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(CC=C)C3=O)C2)c1 ZINC001015679298 765151200 /nfs/dbraw/zinc/15/12/00/765151200.db2.gz YSVARYLDTMUPRH-SJORKVTESA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(CC=C)C3=O)C2)c1 ZINC001015679298 765151205 /nfs/dbraw/zinc/15/12/05/765151205.db2.gz YSVARYLDTMUPRH-SJORKVTESA-N 1 1 338.411 0.654 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001077486893 765159343 /nfs/dbraw/zinc/15/93/43/765159343.db2.gz VUPCMEPSDAVPMS-HZPDHXFCSA-N 1 1 337.464 0.618 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052857768 765239176 /nfs/dbraw/zinc/23/91/76/765239176.db2.gz UKPJFVCXJGHSRD-CYBMUJFWSA-N 1 1 332.404 0.716 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000992039874 765244951 /nfs/dbraw/zinc/24/49/51/765244951.db2.gz UMZVBOFKKSHWAC-LDZOIKDWSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000992044074 765270730 /nfs/dbraw/zinc/27/07/30/765270730.db2.gz FEYHSPJNFDZCGW-DNOWBOINSA-N 1 1 343.431 0.853 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052877585 765283788 /nfs/dbraw/zinc/28/37/88/765283788.db2.gz QFDYYAPPPBCHTM-ZDUSSCGKSA-N 1 1 330.388 0.163 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC001052914347 765334901 /nfs/dbraw/zinc/33/49/01/765334901.db2.gz QQHRSUCGRGKUDS-CYBMUJFWSA-N 1 1 336.436 0.864 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001052919267 765346515 /nfs/dbraw/zinc/34/65/15/765346515.db2.gz JMZRFYYLJOIPSJ-LLVKDONJSA-N 1 1 328.800 0.261 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)n1 ZINC001052921906 765351268 /nfs/dbraw/zinc/35/12/68/765351268.db2.gz LZTLAQLLAVRXQK-VHDGCEQUSA-N 1 1 342.447 0.797 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(CC=C)C3=O)C2)nn1 ZINC001015810353 765368444 /nfs/dbraw/zinc/36/84/44/765368444.db2.gz GYLFGKZYVDENAI-UKRRQHHQSA-N 1 1 344.419 0.055 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(CC=C)C3=O)C2)nn1 ZINC001015810353 765368452 /nfs/dbraw/zinc/36/84/52/765368452.db2.gz GYLFGKZYVDENAI-UKRRQHHQSA-N 1 1 344.419 0.055 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)nc3C)C2)nn1 ZINC001015811726 765370876 /nfs/dbraw/zinc/37/08/76/765370876.db2.gz LZDSMAHKRSCEFM-AWEZNQCLSA-N 1 1 344.423 0.177 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3nc(C)n(-c4nc[nH]n4)n3)CCC[C@H]12 ZINC000992074639 765385786 /nfs/dbraw/zinc/38/57/86/765385786.db2.gz XCGNYLFROAFKQL-LRDDRELGSA-N 1 1 342.407 0.607 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C3(C)CCOCC3)C2)C1=O ZINC001015854845 765446208 /nfs/dbraw/zinc/44/62/08/765446208.db2.gz HJZTZSWLSJURHA-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C3(C)CCOCC3)C2)C1=O ZINC001015854845 765446212 /nfs/dbraw/zinc/44/62/12/765446212.db2.gz HJZTZSWLSJURHA-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001015863353 765458093 /nfs/dbraw/zinc/45/80/93/765458093.db2.gz VHJDYMVHRDLKPN-KGLIPLIRSA-N 1 1 331.420 0.618 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001015863353 765458095 /nfs/dbraw/zinc/45/80/95/765458095.db2.gz VHJDYMVHRDLKPN-KGLIPLIRSA-N 1 1 331.420 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ncc[nH]2)C1 ZINC000992095484 765461403 /nfs/dbraw/zinc/46/14/03/765461403.db2.gz MLIPWMMIVSUAMG-RUXDESIVSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ncc[nH]2)C1 ZINC000992095484 765461409 /nfs/dbraw/zinc/46/14/09/765461409.db2.gz MLIPWMMIVSUAMG-RUXDESIVSA-N 1 1 329.404 0.132 20 30 ECEDMO Cn1cncc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052989525 765467058 /nfs/dbraw/zinc/46/70/58/765467058.db2.gz JSXLAZCQLAOATH-IYBDPMFKSA-N 1 1 342.447 0.697 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)C1 ZINC001053015073 765488203 /nfs/dbraw/zinc/48/82/03/765488203.db2.gz GQDPBIJDAQJDLQ-ZWKOTPCHSA-N 1 1 333.476 0.902 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)C2)c1 ZINC001015907064 765525551 /nfs/dbraw/zinc/52/55/51/765525551.db2.gz FAQURCQPXWHIAA-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)C2)c1 ZINC001015907064 765525556 /nfs/dbraw/zinc/52/55/56/765525556.db2.gz FAQURCQPXWHIAA-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC001053054442 765531092 /nfs/dbraw/zinc/53/10/92/765531092.db2.gz MEUMWWYCRHTFOU-HOTGVXAUSA-N 1 1 344.459 0.921 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2CN=NC2=O)C1 ZINC001053074087 765548093 /nfs/dbraw/zinc/54/80/93/765548093.db2.gz AJJXIBNYBPDYNQ-GJZGRUSLSA-N 1 1 331.420 0.710 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN2C(=O)CCC2=O)C1 ZINC001053105575 765582626 /nfs/dbraw/zinc/58/26/26/765582626.db2.gz PMXPPFJKXVPIBA-HZPDHXFCSA-N 1 1 345.443 0.862 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNc2ncc(C#N)cc2F)CC[N@H+]1C ZINC001106092622 765586633 /nfs/dbraw/zinc/58/66/33/765586633.db2.gz JXFLBHIMQLIEEK-FPMFFAJLSA-N 1 1 349.410 0.712 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)[C@@H](O)C1 ZINC001083729641 768318042 /nfs/dbraw/zinc/31/80/42/768318042.db2.gz XBPJAOHBTOBNJF-UPJWGTAASA-N 1 1 333.354 0.055 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)[C@@H](O)C1 ZINC001083729641 768318048 /nfs/dbraw/zinc/31/80/48/768318048.db2.gz XBPJAOHBTOBNJF-UPJWGTAASA-N 1 1 333.354 0.055 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(CC=C)C3=O)C2)cn1 ZINC001016031813 765734551 /nfs/dbraw/zinc/73/45/51/765734551.db2.gz RVYIIBXLPRMBQM-IRXDYDNUSA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(CC=C)C3=O)C2)cn1 ZINC001016031813 765734560 /nfs/dbraw/zinc/73/45/60/765734560.db2.gz RVYIIBXLPRMBQM-IRXDYDNUSA-N 1 1 338.411 0.654 20 30 ECEDMO N#Cc1cc(C(=O)N2CCOC3(C[NH+](CC[C@H]4CCCO4)C3)C2)c[nH]1 ZINC001053227008 765794886 /nfs/dbraw/zinc/79/48/86/765794886.db2.gz IMRYIJMWPDXLKZ-MRXNPFEDSA-N 1 1 344.415 0.982 20 30 ECEDMO O=C(C#CC1CC1)N1CCOC2(C[NH+](C[C@@H]3C[C@@]34CCOC4)C2)C1 ZINC001053250737 765841974 /nfs/dbraw/zinc/84/19/74/765841974.db2.gz RRZMZJQUXOAUHL-FUHWJXTLSA-N 1 1 330.428 0.740 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001016166280 765860825 /nfs/dbraw/zinc/86/08/25/765860825.db2.gz XBGSPMVFTUANKD-ZIAGYGMSSA-N 1 1 330.388 0.378 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001016166280 765860834 /nfs/dbraw/zinc/86/08/34/765860834.db2.gz XBGSPMVFTUANKD-ZIAGYGMSSA-N 1 1 330.388 0.378 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2ccon2)C1 ZINC000992208638 765903152 /nfs/dbraw/zinc/90/31/52/765903152.db2.gz SFCCLPHCERXZSA-BCLQGDPASA-N 1 1 344.415 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2ccon2)C1 ZINC000992208638 765903155 /nfs/dbraw/zinc/90/31/55/765903155.db2.gz SFCCLPHCERXZSA-BCLQGDPASA-N 1 1 344.415 0.326 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cc3n(n1)CCO3)CCO2 ZINC001053288622 765914889 /nfs/dbraw/zinc/91/48/89/765914889.db2.gz MVNWGGDTCGBDHM-UHFFFAOYSA-N 1 1 332.404 0.769 20 30 ECEDMO C=C(Br)CN1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030837942 765947742 /nfs/dbraw/zinc/94/77/42/765947742.db2.gz WRXCPQJZWODPRU-ZDUSSCGKSA-N 1 1 346.269 0.805 20 30 ECEDMO C=C(Br)CN1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030837942 765947746 /nfs/dbraw/zinc/94/77/46/765947746.db2.gz WRXCPQJZWODPRU-ZDUSSCGKSA-N 1 1 346.269 0.805 20 30 ECEDMO C=CCCN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)CCO2 ZINC001053347579 766010131 /nfs/dbraw/zinc/01/01/31/766010131.db2.gz LLQMGTPVQWNGCE-PQUAAJSLSA-N 1 1 347.459 0.339 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC000992242766 766028039 /nfs/dbraw/zinc/02/80/39/766028039.db2.gz STAQLKLDXKUKDX-HPFXQQBRSA-N 1 1 345.447 0.982 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nnnn4CC3)CCC[C@@H]12 ZINC000992250239 766057617 /nfs/dbraw/zinc/05/76/17/766057617.db2.gz OCDNBXQBMYXDFW-IIDMSEBBSA-N 1 1 342.447 0.762 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)[nH]1 ZINC001007101838 766073546 /nfs/dbraw/zinc/07/35/46/766073546.db2.gz TZHZQLJDEZWABU-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000992257640 766076346 /nfs/dbraw/zinc/07/63/46/766076346.db2.gz OJBQSUQTBGCIGZ-VMBOVVBDSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CCO2 ZINC001053394851 766077312 /nfs/dbraw/zinc/07/73/12/766077312.db2.gz QMFXCHKFZAIYLO-MRXNPFEDSA-N 1 1 342.443 0.690 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)[C@@H](O)C1 ZINC001083684494 766091636 /nfs/dbraw/zinc/09/16/36/766091636.db2.gz ZBLJOJCXFGCYDQ-BMFZPTHFSA-N 1 1 327.384 0.297 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cn(C)c(=O)n(C)c3=O)CCC[C@H]12 ZINC000992267996 766105763 /nfs/dbraw/zinc/10/57/63/766105763.db2.gz HWPFKVVWAXLMLL-KBXCAEBGSA-N 1 1 346.431 0.387 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)CCn1cc[nH+]c1C(C)C)CCO2 ZINC001053457909 766165042 /nfs/dbraw/zinc/16/50/42/766165042.db2.gz FIVBPOWYBTVCBJ-UHFFFAOYSA-N 1 1 330.432 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001016352313 766169668 /nfs/dbraw/zinc/16/96/68/766169668.db2.gz OQSASPGJXIQKSY-GPANFISMSA-N 1 1 343.431 0.155 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001016352313 766169669 /nfs/dbraw/zinc/16/96/69/766169669.db2.gz OQSASPGJXIQKSY-GPANFISMSA-N 1 1 343.431 0.155 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016370831 766194633 /nfs/dbraw/zinc/19/46/33/766194633.db2.gz CESQANGJGVFHGB-HSBZDZAISA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@]2(NC(=O)Cn3[n-]cc4c(=O)ncnc3-4)CCC[C@@H]12 ZINC000992313892 766240947 /nfs/dbraw/zinc/24/09/47/766240947.db2.gz BLDGLUVZXGNYPP-CXAGYDPISA-N 1 1 342.403 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001016414871 766255561 /nfs/dbraw/zinc/25/55/61/766255561.db2.gz OZHLUCSCYVJWTE-CKUJCDMFSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001016414871 766255568 /nfs/dbraw/zinc/25/55/68/766255568.db2.gz OZHLUCSCYVJWTE-CKUJCDMFSA-N 1 1 333.432 0.369 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992324633 766276079 /nfs/dbraw/zinc/27/60/79/766276079.db2.gz CAKUOOGALSHOJE-ABAIWWIYSA-N 1 1 340.811 0.404 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992324633 766276081 /nfs/dbraw/zinc/27/60/81/766276081.db2.gz CAKUOOGALSHOJE-ABAIWWIYSA-N 1 1 340.811 0.404 20 30 ECEDMO COC[C@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)O2 ZINC001053593497 766391147 /nfs/dbraw/zinc/39/11/47/766391147.db2.gz MHLOFPWCSWLQCR-WFASDCNBSA-N 1 1 332.404 0.884 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000992373640 766420229 /nfs/dbraw/zinc/42/02/29/766420229.db2.gz XIWWUWDIRABFCC-LSDHHAIUSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(OCC)n[nH]1)O2 ZINC001053614674 766437510 /nfs/dbraw/zinc/43/75/10/766437510.db2.gz NGDXPYXCGPQKJM-CYBMUJFWSA-N 1 1 332.404 0.795 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001045863189 766441968 /nfs/dbraw/zinc/44/19/68/766441968.db2.gz OUVIXOQLTIQDLB-AESZEHBQSA-N 1 1 335.448 0.779 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001016528571 766442375 /nfs/dbraw/zinc/44/23/75/766442375.db2.gz MEMMRNOYRVKXFG-NUYPLMSZSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCn3ccnc3C1)O2 ZINC001053618745 766446733 /nfs/dbraw/zinc/44/67/33/766446733.db2.gz DPWZPBKPDJZHFV-HZPDHXFCSA-N 1 1 342.443 0.818 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCn3ccnc3C1)O2 ZINC001053618746 766447270 /nfs/dbraw/zinc/44/72/70/766447270.db2.gz DPWZPBKPDJZHFV-JKSUJKDBSA-N 1 1 342.443 0.818 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCN(CC)C2=O)C1 ZINC001031680349 766448596 /nfs/dbraw/zinc/44/85/96/766448596.db2.gz APAQDAZRZCUZPE-PMPSAXMXSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(C(N)=O)c1)O2 ZINC001053619382 766449102 /nfs/dbraw/zinc/44/91/02/766449102.db2.gz QUVNHAYJAYNECB-INIZCTEOSA-N 1 1 341.411 0.772 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001016531820 766449451 /nfs/dbraw/zinc/44/94/51/766449451.db2.gz FOWLZTDMJUTSGM-HSBZDZAISA-N 1 1 346.435 0.135 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001016533984 766455262 /nfs/dbraw/zinc/45/52/62/766455262.db2.gz HOUQUUWSQJXGEX-FJBKBRRZSA-N 1 1 346.431 0.888 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)NC)nc1 ZINC001045880456 766462629 /nfs/dbraw/zinc/46/26/29/766462629.db2.gz WWQKBJNZSWPXRH-BMFZPTHFSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCN(C(C)=O)C1)O2 ZINC001053625825 766466265 /nfs/dbraw/zinc/46/62/65/766466265.db2.gz GEGCSASLLUFPLS-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnc3n[nH]nc31)O2 ZINC001053631515 766479024 /nfs/dbraw/zinc/47/90/24/766479024.db2.gz ZDAKUGQLBNGXHF-LBPRGKRZSA-N 1 1 340.387 0.339 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CS(C)(=O)=O)C2 ZINC001045920672 766492321 /nfs/dbraw/zinc/49/23/21/766492321.db2.gz WAWVAQOKMKXCKX-INIZCTEOSA-N 1 1 326.462 0.759 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)O2 ZINC001053638901 766494628 /nfs/dbraw/zinc/49/46/28/766494628.db2.gz ZRAVKQAJHLCRGM-GJZGRUSLSA-N 1 1 333.432 0.276 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@H+](CCS(C)(=O)=O)C2)C1 ZINC001045923984 766497226 /nfs/dbraw/zinc/49/72/26/766497226.db2.gz FQLPZOAWTYMKIO-HOCLYGCPSA-N 1 1 341.477 0.895 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@@H+](CCS(C)(=O)=O)C2)C1 ZINC001045923984 766497229 /nfs/dbraw/zinc/49/72/29/766497229.db2.gz FQLPZOAWTYMKIO-HOCLYGCPSA-N 1 1 341.477 0.895 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCCNC1=O)C2 ZINC001045949441 766520153 /nfs/dbraw/zinc/52/01/53/766520153.db2.gz HAUCXIOWNIDUAU-GOSISDBHSA-N 1 1 332.448 0.740 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC3(C[NH+](C[C@@H](C)O)C3)O2)c1 ZINC001053662745 766536044 /nfs/dbraw/zinc/53/60/44/766536044.db2.gz VHGKKIWLWBLZDX-CJNGLKHVSA-N 1 1 329.400 0.407 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)O2 ZINC001053665208 766539373 /nfs/dbraw/zinc/53/93/73/766539373.db2.gz OMVNVCJUVHUBKT-BZUAXINKSA-N 1 1 342.443 0.897 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@@H]12 ZINC000992426586 766540561 /nfs/dbraw/zinc/54/05/61/766540561.db2.gz JWROPCLLWIQHSX-DYVFJYSZSA-N 1 1 332.404 0.065 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)nn(C)c1OC)O2 ZINC001053671509 766552402 /nfs/dbraw/zinc/55/24/02/766552402.db2.gz GYHSJHFUFARHOG-CQSZACIVSA-N 1 1 346.431 0.724 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)s1)O2 ZINC001053678967 766565390 /nfs/dbraw/zinc/56/53/90/766565390.db2.gz QOGTZYQRPGUJKM-GFCCVEGCSA-N 1 1 347.440 0.834 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC3(C[NH+](C[C@H](C)O)C3)O2)nc1 ZINC001053691014 766597631 /nfs/dbraw/zinc/59/76/31/766597631.db2.gz QXCFKYARURAWRG-ZFWWWQNUSA-N 1 1 329.400 0.407 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC001046000384 766600173 /nfs/dbraw/zinc/60/01/73/766600173.db2.gz QTGFUXXKCJAEHZ-AWEZNQCLSA-N 1 1 329.404 0.038 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12 ZINC000992454902 766612585 /nfs/dbraw/zinc/61/25/85/766612585.db2.gz LISINFQIENAQBT-RHSMWYFYSA-N 1 1 331.420 0.027 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)n3cccn3)CC2)C1 ZINC001046006546 766616838 /nfs/dbraw/zinc/61/68/38/766616838.db2.gz OFWYBWXQXJNPFA-DLBZAZTESA-N 1 1 329.448 0.686 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3c[nH]nc3C1)O2 ZINC001053700473 766619932 /nfs/dbraw/zinc/61/99/32/766619932.db2.gz VXJZKSRBPAXGJP-ZBFHGGJFSA-N 1 1 342.443 0.888 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)O2 ZINC001053704216 766629191 /nfs/dbraw/zinc/62/91/91/766629191.db2.gz WWHRYULWWSYWHD-AWEZNQCLSA-N 1 1 342.399 0.167 20 30 ECEDMO Cc1nn(C)cc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046013155 766640677 /nfs/dbraw/zinc/64/06/77/766640677.db2.gz TZKZBCDANFFKQW-PBHICJAKSA-N 1 1 344.463 0.607 20 30 ECEDMO COC[C@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046018328 766656530 /nfs/dbraw/zinc/65/65/30/766656530.db2.gz VTPYIRPSTNTZQO-GOEBONIOSA-N 1 1 345.447 0.753 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 ZINC001046022671 766670149 /nfs/dbraw/zinc/67/01/49/766670149.db2.gz VOHCTOZXTRGRFM-HZPDHXFCSA-N 1 1 330.436 0.081 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC001046023331 766672136 /nfs/dbraw/zinc/67/21/36/766672136.db2.gz KYGLLBBUUFCPIP-QGZVFWFLSA-N 1 1 336.480 0.113 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC001016655060 766676760 /nfs/dbraw/zinc/67/67/60/766676760.db2.gz LTBWRLJLPPDVEL-GJZGRUSLSA-N 1 1 338.473 0.948 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 ZINC001046026076 766681273 /nfs/dbraw/zinc/68/12/73/766681273.db2.gz CDKAZXQWSMJQCD-IAGOWNOFSA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CC)n3)CC2)C1 ZINC001046026452 766682764 /nfs/dbraw/zinc/68/27/64/766682764.db2.gz WYFFBHZDKBGRKY-HNNXBMFYSA-N 1 1 332.452 0.706 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000994749877 766692546 /nfs/dbraw/zinc/69/25/46/766692546.db2.gz DWLSVCFZAOQTEJ-YJBOKZPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000994749877 766692549 /nfs/dbraw/zinc/69/25/49/766692549.db2.gz DWLSVCFZAOQTEJ-YJBOKZPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)/C=C/c2ccco2)C1 ZINC000994749723 766692763 /nfs/dbraw/zinc/69/27/63/766692763.db2.gz CYYCXYXDRHAYEQ-WAVCKPEOSA-N 1 1 327.384 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)/C=C/c2ccco2)C1 ZINC000994749723 766692770 /nfs/dbraw/zinc/69/27/70/766692770.db2.gz CYYCXYXDRHAYEQ-WAVCKPEOSA-N 1 1 327.384 0.717 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@H]12 ZINC000992485557 766692879 /nfs/dbraw/zinc/69/28/79/766692879.db2.gz GDLLKKYQJCZBHR-UGSOOPFHSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)sn2)C1 ZINC000994750203 766694850 /nfs/dbraw/zinc/69/48/50/766694850.db2.gz GWGDIWPFUMPEND-AWEZNQCLSA-N 1 1 332.429 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)sn2)C1 ZINC000994750203 766694855 /nfs/dbraw/zinc/69/48/55/766694855.db2.gz GWGDIWPFUMPEND-AWEZNQCLSA-N 1 1 332.429 0.490 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001077560746 766698808 /nfs/dbraw/zinc/69/88/08/766698808.db2.gz FEARIFLZFUSRGE-IXDOHACOSA-N 1 1 337.464 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)c3ccnn3C)CC2)C1 ZINC001046031609 766701427 /nfs/dbraw/zinc/70/14/27/766701427.db2.gz RPHZKNCFJXCNHZ-CVEARBPZSA-N 1 1 329.448 0.375 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncc(F)c2)C1 ZINC000994752974 766704661 /nfs/dbraw/zinc/70/46/61/766704661.db2.gz XDNNQCQELJDQED-HNNXBMFYSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncc(F)c2)C1 ZINC000994752974 766704668 /nfs/dbraw/zinc/70/46/68/766704668.db2.gz XDNNQCQELJDQED-HNNXBMFYSA-N 1 1 330.363 0.259 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccn(CC)n3)CC2)C1 ZINC001046032453 766706346 /nfs/dbraw/zinc/70/63/46/766706346.db2.gz KFUDQKQKLJJZBK-SFHVURJKSA-N 1 1 343.475 0.687 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033543 766710313 /nfs/dbraw/zinc/71/03/13/766710313.db2.gz HEWFPKQDYNELHW-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ccnn3C)CC2)C1 ZINC001046033748 766712061 /nfs/dbraw/zinc/71/20/61/766712061.db2.gz JRLOAOAATUKLEI-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC001046034202 766713482 /nfs/dbraw/zinc/71/34/82/766713482.db2.gz RHZWJCIRVQOFPL-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO CCN(c1ccc(C#N)c(C)n1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089627680 766713862 /nfs/dbraw/zinc/71/38/62/766713862.db2.gz QYKZOVIFCIWCGY-CZUORRHYSA-N 1 1 345.447 0.923 20 30 ECEDMO CCN(c1ccc(C#N)c(C)n1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089627680 766713867 /nfs/dbraw/zinc/71/38/67/766713867.db2.gz QYKZOVIFCIWCGY-CZUORRHYSA-N 1 1 345.447 0.923 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)[nH]nc3Cl)CC2)C1 ZINC001046034632 766714972 /nfs/dbraw/zinc/71/49/72/766714972.db2.gz WVFIUOHTLLAMBP-ZDUSSCGKSA-N 1 1 335.839 0.837 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC000994756528 766721099 /nfs/dbraw/zinc/72/10/99/766721099.db2.gz XTIUICPLSWLCMX-OCCSQVGLSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC000994756528 766721108 /nfs/dbraw/zinc/72/11/08/766721108.db2.gz XTIUICPLSWLCMX-OCCSQVGLSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2cc(C)on2)C1 ZINC000994755928 766721364 /nfs/dbraw/zinc/72/13/64/766721364.db2.gz SPFORLLWPTUBDY-INIZCTEOSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2cc(C)on2)C1 ZINC000994755928 766721370 /nfs/dbraw/zinc/72/13/70/766721370.db2.gz SPFORLLWPTUBDY-INIZCTEOSA-N 1 1 344.415 0.340 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C3(F)CCOCC3)CC2)C1 ZINC001046035913 766722217 /nfs/dbraw/zinc/72/22/17/766722217.db2.gz WDSPODTYIXXCSE-INIZCTEOSA-N 1 1 337.439 0.747 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(=O)n(C)cn3)CC2)C1 ZINC001046037153 766731357 /nfs/dbraw/zinc/73/13/57/766731357.db2.gz UAHKWNRNVYTZBP-OAHLLOKOSA-N 1 1 345.447 0.189 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001046037372 766733880 /nfs/dbraw/zinc/73/38/80/766733880.db2.gz XZRZRUYKBGQRPW-BBWFWOEESA-N 1 1 337.464 0.585 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncc(F)cc3F)CC2)C1 ZINC001046037931 766736867 /nfs/dbraw/zinc/73/68/67/766736867.db2.gz CEAYPOMWKOBFMO-CQSZACIVSA-N 1 1 334.370 0.825 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)C1 ZINC001046038166 766738170 /nfs/dbraw/zinc/73/81/70/766738170.db2.gz BOFOHGFEAFTNBE-AWEZNQCLSA-N 1 1 338.415 0.423 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC001046039623 766744140 /nfs/dbraw/zinc/74/41/40/766744140.db2.gz TYSGTVWZHOGKGJ-QGZVFWFLSA-N 1 1 344.459 0.794 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CN(C)C)on3)CC2)C1 ZINC001046040217 766744931 /nfs/dbraw/zinc/74/49/31/766744931.db2.gz HCOXUHZLWKWIJQ-HNNXBMFYSA-N 1 1 347.463 0.754 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)C1 ZINC001046040227 766745473 /nfs/dbraw/zinc/74/54/73/766745473.db2.gz HHCAROBGSDWAIY-DLBZAZTESA-N 1 1 343.475 0.850 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccnnc3C)CC2)C1 ZINC001046042486 766756664 /nfs/dbraw/zinc/75/66/64/766756664.db2.gz WHJWZOUMTRVJNR-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCNC3=O)CC2)C1 ZINC001046043136 766758827 /nfs/dbraw/zinc/75/88/27/766758827.db2.gz WMJLJZAXHBYWKQ-MRXNPFEDSA-N 1 1 349.479 0.196 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC001046043106 766758902 /nfs/dbraw/zinc/75/89/02/766758902.db2.gz VSLYPMLKPJYIHS-QGZVFWFLSA-N 1 1 344.459 0.794 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]nc3C(C)C)CC2)C1 ZINC001046043163 766760467 /nfs/dbraw/zinc/76/04/67/766760467.db2.gz XCSWJSSYUKQRSS-HNNXBMFYSA-N 1 1 329.448 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cncc3C)CC2)C1 ZINC001046043891 766763351 /nfs/dbraw/zinc/76/33/51/766763351.db2.gz MIACCIDUECRUGR-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc(OC)n3)CC2)C1 ZINC001046044646 766767861 /nfs/dbraw/zinc/76/78/61/766767861.db2.gz NPGTUPZNBFALGR-AWEZNQCLSA-N 1 1 331.420 0.503 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc(OC)n3)CC2)C1 ZINC001046045551 766772423 /nfs/dbraw/zinc/77/24/23/766772423.db2.gz ZNKFAMVETDJVFS-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC001046046687 766774867 /nfs/dbraw/zinc/77/48/67/766774867.db2.gz GGWLWIRLRLNQHZ-YJBOKZPZSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001046046443 766774939 /nfs/dbraw/zinc/77/49/39/766774939.db2.gz DHLDEAZDYOKJBI-IRXDYDNUSA-N 1 1 346.475 0.145 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001046047005 766776520 /nfs/dbraw/zinc/77/65/20/766776520.db2.gz LABOTJFGDSWREF-IAGOWNOFSA-N 1 1 348.491 0.697 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)c1 ZINC001053766454 766785457 /nfs/dbraw/zinc/78/54/57/766785457.db2.gz NPMCPKLSJLGUEG-TZMCWYRMSA-N 1 1 330.388 0.496 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C(N)=O)nc3)CCC[C@@H]12 ZINC000992532555 766788951 /nfs/dbraw/zinc/78/89/51/766788951.db2.gz MPOMVWJFYTUDGD-QAPCUYQASA-N 1 1 326.400 0.931 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C(N)=O)nc3)CCC[C@@H]12 ZINC000992532538 766789057 /nfs/dbraw/zinc/78/90/57/766789057.db2.gz MPOMVWJFYTUDGD-CRAIPNDOSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)c3cncnc3)CC2)C1 ZINC001046054388 766800889 /nfs/dbraw/zinc/80/08/89/766800889.db2.gz MGMFGTAPINIHNZ-RDJZCZTQSA-N 1 1 327.432 0.432 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](CC[C@@H]4CCOC4)C3)C2)[nH]1 ZINC001053772955 766804494 /nfs/dbraw/zinc/80/44/94/766804494.db2.gz ACWJTIZIBUADCZ-HIFRSBDPSA-N 1 1 344.415 0.886 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3(c4cc(C)no4)CC3)CC2)C1 ZINC001046056883 766813318 /nfs/dbraw/zinc/81/33/18/766813318.db2.gz VPZLOEFNFHFXAQ-INIZCTEOSA-N 1 1 342.443 0.866 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 ZINC001046060845 766828489 /nfs/dbraw/zinc/82/84/89/766828489.db2.gz GPZKIALKSBANOH-YJBOKZPZSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC001046066806 766854678 /nfs/dbraw/zinc/85/46/78/766854678.db2.gz QCYCOPMXMFESAR-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)C1 ZINC001046067532 766859424 /nfs/dbraw/zinc/85/94/24/766859424.db2.gz OJIOUKHWOLIBJC-HNNXBMFYSA-N 1 1 328.416 0.561 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@@H]3CC[N@H+](CCF)C3)CC2)nn1 ZINC001046068696 766864757 /nfs/dbraw/zinc/86/47/57/766864757.db2.gz RBZWABYBUZKOQX-CQSZACIVSA-N 1 1 336.415 0.266 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)COC3CCOCC3)CC2)C1 ZINC001046070231 766871882 /nfs/dbraw/zinc/87/18/82/766871882.db2.gz NGGHSMJUPOTZDF-MRXNPFEDSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)nc(C)n3)CC2)C1 ZINC001046070335 766874245 /nfs/dbraw/zinc/87/42/45/766874245.db2.gz SCZGMDOBFAJNOY-MRXNPFEDSA-N 1 1 327.432 0.559 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc(C)nc3C)CC2)C1 ZINC001046072401 766881595 /nfs/dbraw/zinc/88/15/95/766881595.db2.gz DBIDJAFKACLSAV-KRWDZBQOSA-N 1 1 341.459 0.949 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H](C)N3CCCC3=O)CC2)C1 ZINC001046076314 766902582 /nfs/dbraw/zinc/90/25/82/766902582.db2.gz LSPIRHBZKUVZEI-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC001046076219 766902898 /nfs/dbraw/zinc/90/28/98/766902898.db2.gz KRQLNPDRZSEJMV-RDJZCZTQSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(N(C)C)nn3)CC2)C1 ZINC001046077439 766908123 /nfs/dbraw/zinc/90/81/23/766908123.db2.gz WBOMPFQVQUJYDE-HNNXBMFYSA-N 1 1 344.463 0.561 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)CC2)C1 ZINC001046077709 766908881 /nfs/dbraw/zinc/90/88/81/766908881.db2.gz XRIRLMHFORHIIK-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC001046077753 766909222 /nfs/dbraw/zinc/90/92/22/766909222.db2.gz YQWFSKWYHIFODE-INIZCTEOSA-N 1 1 331.464 0.757 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC001046077669 766909514 /nfs/dbraw/zinc/90/95/14/766909514.db2.gz PUKRHYJAAJTBOG-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC001046079102 766913335 /nfs/dbraw/zinc/91/33/35/766913335.db2.gz RUWXIZKSRPYWKG-MSOLQXFVSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]nc3C3CC3)CC2)C1 ZINC001046079600 766914041 /nfs/dbraw/zinc/91/40/41/766914041.db2.gz WLVRZHXEOWLBQO-HNNXBMFYSA-N 1 1 327.432 0.752 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)n(C)nc3Cl)CC2)C1 ZINC001046079885 766914674 /nfs/dbraw/zinc/91/46/74/766914674.db2.gz GKZUMSHDTVORGM-AWEZNQCLSA-N 1 1 349.866 0.847 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nn(C)c3F)CC2)C1 ZINC001046080161 766915792 /nfs/dbraw/zinc/91/57/92/766915792.db2.gz AWDMZFVERHEQJT-AWEZNQCLSA-N 1 1 335.427 0.886 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]cnc3C)CC2)C1 ZINC001046080282 766916826 /nfs/dbraw/zinc/91/68/26/766916826.db2.gz DZNVBLRSEIXNOX-MRXNPFEDSA-N 1 1 329.448 0.502 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3c(C)n[nH]c3C)CC2)C1 ZINC001046081507 766919185 /nfs/dbraw/zinc/91/91/85/766919185.db2.gz GQRHCQIMJNANPM-QGZVFWFLSA-N 1 1 343.475 0.811 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc(C)n3)CC2)C1 ZINC001046083902 766923333 /nfs/dbraw/zinc/92/33/33/766923333.db2.gz DPINCGRWYVDPDE-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCn3cc(C)cn3)CC2)C1 ZINC001046085972 766928296 /nfs/dbraw/zinc/92/82/96/766928296.db2.gz KYRXZTUJSMWLNC-QGZVFWFLSA-N 1 1 331.464 0.986 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1C[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC001031733179 766930938 /nfs/dbraw/zinc/93/09/38/766930938.db2.gz PKWSLGHLBOEVQJ-INIZCTEOSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3ccnn31)CO2 ZINC001053827736 766957030 /nfs/dbraw/zinc/95/70/30/766957030.db2.gz HNEIGMRTAJPTSD-CYBMUJFWSA-N 1 1 327.388 0.879 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)CO2 ZINC001053828692 766959569 /nfs/dbraw/zinc/95/95/69/766959569.db2.gz XTIKEUCXZSDVGD-DLBZAZTESA-N 1 1 333.476 0.947 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC(C)C)C1 ZINC001111640460 766970597 /nfs/dbraw/zinc/97/05/97/766970597.db2.gz JVDJXFSAQMNDTH-MPGHIAIKSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCC3CC3)C2)C1 ZINC001053832644 766970743 /nfs/dbraw/zinc/97/07/43/766970743.db2.gz MRMTUHMIDJTYSV-IRXDYDNUSA-N 1 1 331.460 0.844 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)noc2C)C1 ZINC001031740843 766986780 /nfs/dbraw/zinc/98/67/80/766986780.db2.gz LWFNCEITLDYJLQ-KRWDZBQOSA-N 1 1 330.432 0.937 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001046157199 766989157 /nfs/dbraw/zinc/98/91/57/766989157.db2.gz VMBJKUFAOOHTHZ-YJBOKZPZSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001046157199 766989164 /nfs/dbraw/zinc/98/91/64/766989164.db2.gz VMBJKUFAOOHTHZ-YJBOKZPZSA-N 1 1 345.447 0.953 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc(C)c(C)[nH]c1=O)CO2 ZINC001053843584 766997153 /nfs/dbraw/zinc/99/71/53/766997153.db2.gz QLNYFWGMLUATHY-AWEZNQCLSA-N 1 1 346.431 0.926 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001089677891 767011688 /nfs/dbraw/zinc/01/16/88/767011688.db2.gz FDRKCWGDNDADTG-CQSZACIVSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001089677891 767011701 /nfs/dbraw/zinc/01/17/01/767011701.db2.gz FDRKCWGDNDADTG-CQSZACIVSA-N 1 1 326.404 0.978 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nccn3C1)CO2 ZINC001053852290 767022752 /nfs/dbraw/zinc/02/27/52/767022752.db2.gz JVOAAULCPPRKCY-HUUCEWRRSA-N 1 1 330.432 0.981 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(N)=O)cn1C)CO2 ZINC001053858322 767046509 /nfs/dbraw/zinc/04/65/09/767046509.db2.gz DDVHVAKSIBDSAG-ZDUSSCGKSA-N 1 1 332.404 0.273 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001046202827 767055854 /nfs/dbraw/zinc/05/58/54/767055854.db2.gz MSGACIUKKRIIMS-YJBOKZPZSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001046202827 767055866 /nfs/dbraw/zinc/05/58/66/767055866.db2.gz MSGACIUKKRIIMS-YJBOKZPZSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046224458 767092698 /nfs/dbraw/zinc/09/26/98/767092698.db2.gz SKCKLURKXUMYBK-YJBOKZPZSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046224458 767092704 /nfs/dbraw/zinc/09/27/04/767092704.db2.gz SKCKLURKXUMYBK-YJBOKZPZSA-N 1 1 341.415 0.867 20 30 ECEDMO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001046224629 767092893 /nfs/dbraw/zinc/09/28/93/767092893.db2.gz SVXXKXWSFVAQJE-UGSOOPFHSA-N 1 1 343.431 0.997 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cn2c3ccccc3n(CC)c2=O)CC1 ZINC000068445144 767103097 /nfs/dbraw/zinc/10/30/97/767103097.db2.gz GRWAAOUNEDMYLB-UHFFFAOYSA-N 1 1 340.427 0.990 20 30 ECEDMO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001046239540 767103890 /nfs/dbraw/zinc/10/38/90/767103890.db2.gz LPATWNSUNPCVFN-QGZVFWFLSA-N 1 1 329.404 0.703 20 30 ECEDMO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001046239540 767103895 /nfs/dbraw/zinc/10/38/95/767103895.db2.gz LPATWNSUNPCVFN-QGZVFWFLSA-N 1 1 329.404 0.703 20 30 ECEDMO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001046239776 767104095 /nfs/dbraw/zinc/10/40/95/767104095.db2.gz MUCNNKLZSALDPQ-QGZVFWFLSA-N 1 1 343.387 0.230 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001089708714 767109355 /nfs/dbraw/zinc/10/93/55/767109355.db2.gz LFXITTYEPDLILJ-YNAXMUEKSA-N 1 1 348.447 0.767 20 30 ECEDMO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001046253243 767110792 /nfs/dbraw/zinc/11/07/92/767110792.db2.gz SQCODVVAQBMSGT-UGSOOPFHSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nccn3CC)C2)C1=O ZINC001046276750 767121923 /nfs/dbraw/zinc/12/19/23/767121923.db2.gz SHZIHZWYPBXQRO-KBXCAEBGSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3nccn3CC)C2)C1=O ZINC001046276750 767121926 /nfs/dbraw/zinc/12/19/26/767121926.db2.gz SHZIHZWYPBXQRO-KBXCAEBGSA-N 1 1 345.447 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc1 ZINC000938827239 767125495 /nfs/dbraw/zinc/12/54/95/767125495.db2.gz QTRRSEKUOOKIHA-ZBFHGGJFSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nc(C)nn3C1)CO2 ZINC001053879390 767127593 /nfs/dbraw/zinc/12/75/93/767127593.db2.gz PLQLFCSUDRUIQM-GJZGRUSLSA-N 1 1 345.447 0.685 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046288280 767129011 /nfs/dbraw/zinc/12/90/11/767129011.db2.gz NBARANRNBMQADB-RHSMWYFYSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046288280 767129012 /nfs/dbraw/zinc/12/90/12/767129012.db2.gz NBARANRNBMQADB-RHSMWYFYSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046289577 767130430 /nfs/dbraw/zinc/13/04/30/767130430.db2.gz YGNMNMAUIITLDR-YJBOKZPZSA-N 1 1 327.384 0.727 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046289577 767130432 /nfs/dbraw/zinc/13/04/32/767130432.db2.gz YGNMNMAUIITLDR-YJBOKZPZSA-N 1 1 327.384 0.727 20 30 ECEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001089735714 767136977 /nfs/dbraw/zinc/13/69/77/767136977.db2.gz OXORIECCDNVJTE-UONOGXRCSA-N 1 1 343.493 0.861 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cncn1 ZINC001089763927 767147567 /nfs/dbraw/zinc/14/75/67/767147567.db2.gz LPFITWOHXGAEIA-NXOAAHMSSA-N 1 1 327.432 0.860 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cnnn1 ZINC001089770835 767153789 /nfs/dbraw/zinc/15/37/89/767153789.db2.gz UXPPJYGTRBRPMN-CRWXNKLISA-N 1 1 336.827 0.594 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCC4)[C@@H]3C2)c[nH]1 ZINC001042018904 782610021 /nfs/dbraw/zinc/61/00/21/782610021.db2.gz ORWHMBKZNQEPFY-CZUORRHYSA-N 1 1 341.415 0.655 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC001046428360 767214538 /nfs/dbraw/zinc/21/45/38/767214538.db2.gz VKEMHQKAIVNSIR-IYOUNJFTSA-N 1 1 340.431 0.563 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(C#N)c1 ZINC001089795925 767220673 /nfs/dbraw/zinc/22/06/73/767220673.db2.gz QYHYRODVIGUQAM-MWNCTCPHSA-N 1 1 341.415 0.415 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2CC[C@H]1[C@H]1C[N@@H+](CC(=O)N3CCC3)C[C@@H]12 ZINC001089805215 767233108 /nfs/dbraw/zinc/23/31/08/767233108.db2.gz DCFRCTQIVZIXRQ-MHORFTMASA-N 1 1 341.455 0.801 20 30 ECEDMO Cn1cnnc1C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089807498 767234981 /nfs/dbraw/zinc/23/49/81/767234981.db2.gz ZTTGRQWHGBKMCH-YVSFHVDLSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1cnnc1C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089807498 767234988 /nfs/dbraw/zinc/23/49/88/767234988.db2.gz ZTTGRQWHGBKMCH-YVSFHVDLSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)nn1 ZINC001089808027 767236532 /nfs/dbraw/zinc/23/65/32/767236532.db2.gz FQLHTEQZBFYPJW-OWLYRPNTSA-N 1 1 339.443 0.897 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cccn3nnnc23)C1 ZINC001089811292 767255179 /nfs/dbraw/zinc/25/51/79/767255179.db2.gz FHHIAINHYZZUBR-TUUVXOQKSA-N 1 1 336.399 0.540 20 30 ECEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001046510972 767269700 /nfs/dbraw/zinc/26/97/00/767269700.db2.gz ZKMYDSRXOBIBSN-KRWDZBQOSA-N 1 1 327.388 0.549 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001046510972 767269701 /nfs/dbraw/zinc/26/97/01/767269701.db2.gz ZKMYDSRXOBIBSN-KRWDZBQOSA-N 1 1 327.388 0.549 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3coc(OC)n3)C2)C1=O ZINC001046518354 767275393 /nfs/dbraw/zinc/27/53/93/767275393.db2.gz MASKVPZRWJNVJU-CXAGYDPISA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3coc(OC)n3)C2)C1=O ZINC001046518354 767275394 /nfs/dbraw/zinc/27/53/94/767275394.db2.gz MASKVPZRWJNVJU-CXAGYDPISA-N 1 1 348.403 0.664 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(NC(C)=O)ccc2C)C1 ZINC001078286917 782617603 /nfs/dbraw/zinc/61/76/03/782617603.db2.gz KUXVVMDZFRCVKV-IAGOWNOFSA-N 1 1 329.400 0.752 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001046527776 767280357 /nfs/dbraw/zinc/28/03/57/767280357.db2.gz OCJKZDRALOKZBN-LRDDRELGSA-N 1 1 332.408 0.094 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001046527776 767280358 /nfs/dbraw/zinc/28/03/58/767280358.db2.gz OCJKZDRALOKZBN-LRDDRELGSA-N 1 1 332.408 0.094 20 30 ECEDMO CN1C[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001046540971 767292069 /nfs/dbraw/zinc/29/20/69/767292069.db2.gz BROPVVPNDLXUJA-CRAIPNDOSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001046540971 767292070 /nfs/dbraw/zinc/29/20/70/767292070.db2.gz BROPVVPNDLXUJA-CRAIPNDOSA-N 1 1 341.415 0.662 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001046576348 767321195 /nfs/dbraw/zinc/32/11/95/767321195.db2.gz JJYFYJCANGALAO-RMRHIDDWSA-N 1 1 328.420 0.853 20 30 ECEDMO C=CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908562 767331423 /nfs/dbraw/zinc/33/14/23/767331423.db2.gz VWTYYSJHLPZADT-CABCVRRESA-N 1 1 330.432 0.899 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn[nH]c(=O)c1 ZINC001089823253 767339529 /nfs/dbraw/zinc/33/95/29/767339529.db2.gz DOVOTWRSLVBSPS-HNKHHVNMSA-N 1 1 326.400 0.988 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046589470 767341653 /nfs/dbraw/zinc/34/16/53/767341653.db2.gz VTRZBCYTYYVIIC-RHSMWYFYSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046589470 767341658 /nfs/dbraw/zinc/34/16/58/767341658.db2.gz VTRZBCYTYYVIIC-RHSMWYFYSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3conc3C)C2)C1=O ZINC001046590390 767343068 /nfs/dbraw/zinc/34/30/68/767343068.db2.gz JGZACEYMCAZJJH-PBHICJAKSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3conc3C)C2)C1=O ZINC001046590390 767343075 /nfs/dbraw/zinc/34/30/75/767343075.db2.gz JGZACEYMCAZJJH-PBHICJAKSA-N 1 1 332.404 0.964 20 30 ECEDMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078289202 782622255 /nfs/dbraw/zinc/62/22/55/782622255.db2.gz HYGDAOPWKUJAHA-HUUCEWRRSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078289202 782622259 /nfs/dbraw/zinc/62/22/59/782622259.db2.gz HYGDAOPWKUJAHA-HUUCEWRRSA-N 1 1 325.372 0.565 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ncn(C)c2=O)C1 ZINC001089826325 767348593 /nfs/dbraw/zinc/34/85/93/767348593.db2.gz GNASNBLTBAORDS-VGWMRTNUSA-N 1 1 345.447 0.327 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)cn1 ZINC001089827129 767352706 /nfs/dbraw/zinc/35/27/06/767352706.db2.gz KTGZFPYWZOEKGN-AYDFFVQHSA-N 1 1 326.400 0.196 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001046604239 767355704 /nfs/dbraw/zinc/35/57/04/767355704.db2.gz HLBHTXICZZETLW-ORAYPTAESA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001046604239 767355710 /nfs/dbraw/zinc/35/57/10/767355710.db2.gz HLBHTXICZZETLW-ORAYPTAESA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)c1 ZINC001046605965 767356042 /nfs/dbraw/zinc/35/60/42/767356042.db2.gz ZHUCKIRSKHGKME-GOSISDBHSA-N 1 1 341.415 0.282 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001046618781 767374260 /nfs/dbraw/zinc/37/42/60/767374260.db2.gz JSWLAQIEJWUQCO-FRQCXROJSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046628810 767396620 /nfs/dbraw/zinc/39/66/20/767396620.db2.gz RBRLTJPLPIXMHM-RVKKMQEKSA-N 1 1 326.400 0.760 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046631983 767403908 /nfs/dbraw/zinc/40/39/08/767403908.db2.gz PFYRUUQMAFANDT-KEYYUXOJSA-N 1 1 336.436 0.183 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccncc3C#N)C2)O1 ZINC001046647810 767416274 /nfs/dbraw/zinc/41/62/74/767416274.db2.gz YXHDCJJAFRIOSZ-LNCBFAARSA-N 1 1 343.431 0.401 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccncc3C#N)C2)O1 ZINC001046647810 767416278 /nfs/dbraw/zinc/41/62/78/767416278.db2.gz YXHDCJJAFRIOSZ-LNCBFAARSA-N 1 1 343.431 0.401 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC[C@H](C)C1)CO2 ZINC001053948813 767430581 /nfs/dbraw/zinc/43/05/81/767430581.db2.gz RJIIDKLTUQIEGN-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)ccc1=O ZINC001089835232 767433732 /nfs/dbraw/zinc/43/37/32/767433732.db2.gz IVGKENOKZXFNTL-MPTYRVRUSA-N 1 1 325.412 0.801 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2COC3(C[NH+](CC4CC4)C3)C2)nn1 ZINC001053950637 767435366 /nfs/dbraw/zinc/43/53/66/767435366.db2.gz GCDCXSXVORCVRE-AWEZNQCLSA-N 1 1 331.420 0.837 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001046670925 767448715 /nfs/dbraw/zinc/44/87/15/767448715.db2.gz BDOJFZYXZLHILS-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001046676259 767460027 /nfs/dbraw/zinc/46/00/27/767460027.db2.gz DDNMFGSAVPLQFI-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001046677863 767465301 /nfs/dbraw/zinc/46/53/01/767465301.db2.gz YWEOUBYODXNINQ-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001046681199 767471446 /nfs/dbraw/zinc/47/14/46/767471446.db2.gz LLLZGHIHOWEIRW-KRWDZBQOSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001046681199 767471453 /nfs/dbraw/zinc/47/14/53/767471453.db2.gz LLLZGHIHOWEIRW-KRWDZBQOSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N(C)C3CC3)C2)nn1 ZINC001046682073 767472497 /nfs/dbraw/zinc/47/24/97/767472497.db2.gz VQWGLFOYYCSIHP-KRWDZBQOSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N(C)C3CC3)C2)nn1 ZINC001046682073 767472502 /nfs/dbraw/zinc/47/25/02/767472502.db2.gz VQWGLFOYYCSIHP-KRWDZBQOSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001046683944 767476185 /nfs/dbraw/zinc/47/61/85/767476185.db2.gz DTBKVWSRXPXFCP-CQSZACIVSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CCN1CC2(C1)C[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)CO2 ZINC001053967969 767484330 /nfs/dbraw/zinc/48/43/30/767484330.db2.gz HKNHCWGGLFIKBD-OAHLLOKOSA-N 1 1 337.383 0.474 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CCC1 ZINC001046691495 767491159 /nfs/dbraw/zinc/49/11/59/767491159.db2.gz JEIPZKGDGVGZNJ-CABCVRRESA-N 1 1 349.475 0.620 20 30 ECEDMO Cn1nncc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001017092318 767575006 /nfs/dbraw/zinc/57/50/06/767575006.db2.gz HNUGJISBIHYUOV-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3oncc3C)C2)C1=O ZINC001046745618 767578968 /nfs/dbraw/zinc/57/89/68/767578968.db2.gz POOJHCSWILCHNO-SUMWQHHRSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3oncc3C)C2)C1=O ZINC001046745618 767578972 /nfs/dbraw/zinc/57/89/72/767578972.db2.gz POOJHCSWILCHNO-SUMWQHHRSA-N 1 1 332.404 0.964 20 30 ECEDMO Cn1ncc(C[N@H+](C)C[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001017109375 767601324 /nfs/dbraw/zinc/60/13/24/767601324.db2.gz JIUZXPUISVATPP-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001017109375 767601327 /nfs/dbraw/zinc/60/13/27/767601327.db2.gz JIUZXPUISVATPP-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nnc(C)n3C1)CO2 ZINC001054015228 767602969 /nfs/dbraw/zinc/60/29/69/767602969.db2.gz DHCNBBIQFSYEJO-GJZGRUSLSA-N 1 1 345.447 0.685 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3nocc3C)C2)C1=O ZINC001046760102 767603108 /nfs/dbraw/zinc/60/31/08/767603108.db2.gz NAGCEUSWJQBNFA-DYVFJYSZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3nocc3C)C2)C1=O ZINC001046760102 767603109 /nfs/dbraw/zinc/60/31/09/767603109.db2.gz NAGCEUSWJQBNFA-DYVFJYSZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780491 767683612 /nfs/dbraw/zinc/68/36/12/767683612.db2.gz WQZLYDJWFDTHOT-ZBFHGGJFSA-N 1 1 332.452 0.669 20 30 ECEDMO C=CCCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780491 767683617 /nfs/dbraw/zinc/68/36/17/767683617.db2.gz WQZLYDJWFDTHOT-ZBFHGGJFSA-N 1 1 332.452 0.669 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001060476384 767686486 /nfs/dbraw/zinc/68/64/86/767686486.db2.gz JUBBRWWXEGNECW-QVDCYYDOSA-N 1 1 325.416 0.702 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017195467 767711795 /nfs/dbraw/zinc/71/17/95/767711795.db2.gz UUWJTKSZPLAKIV-ZDUSSCGKSA-N 1 1 332.379 0.853 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)c1 ZINC001017209261 767723912 /nfs/dbraw/zinc/72/39/12/767723912.db2.gz ZTDMRLLQPKJGKI-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001054155705 767751419 /nfs/dbraw/zinc/75/14/19/767751419.db2.gz XUVNUSVWHXHIET-IBGZPJMESA-N 1 1 346.475 0.098 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@]3(CCN(CC#N)C3)C2)C1 ZINC001054184914 767783524 /nfs/dbraw/zinc/78/35/24/767783524.db2.gz OKWYERCBZWRSFK-AEFFLSMTSA-N 1 1 334.464 0.934 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@]3(CCN(CC#N)C3)C2)C1 ZINC001054184914 767783528 /nfs/dbraw/zinc/78/35/28/767783528.db2.gz OKWYERCBZWRSFK-AEFFLSMTSA-N 1 1 334.464 0.934 20 30 ECEDMO CC(C)C(=O)N1C[C@@H](C)OC2(CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001111533486 767803691 /nfs/dbraw/zinc/80/36/91/767803691.db2.gz JZXNHVKOUTUVJR-CQSZACIVSA-N 1 1 336.436 0.364 20 30 ECEDMO C=CCn1cc(C(=O)NC2C[NH+](C[C@H](O)C3CCCCC3)C2)nn1 ZINC001031070106 767805024 /nfs/dbraw/zinc/80/50/24/767805024.db2.gz ORQVMBWNDZUAJI-INIZCTEOSA-N 1 1 333.436 0.819 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](CCN3CCCC3=O)[C@@H]2C1 ZINC001042042292 782659309 /nfs/dbraw/zinc/65/93/09/782659309.db2.gz DPBQFTBAKXXRIY-DLBZAZTESA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]1(C)CCCS1(=O)=O)C2 ZINC001054213196 767810466 /nfs/dbraw/zinc/81/04/66/767810466.db2.gz VOOSQTBTUNZXRC-SJORKVTESA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]1(C)CCCS1(=O)=O)C2 ZINC001054213196 767810473 /nfs/dbraw/zinc/81/04/73/767810473.db2.gz VOOSQTBTUNZXRC-SJORKVTESA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C2 ZINC001054218114 767821443 /nfs/dbraw/zinc/82/14/43/767821443.db2.gz LWHMRCCGQYBTSM-GOSISDBHSA-N 1 1 344.415 0.686 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cnccc1=O)C2 ZINC001054222047 767827366 /nfs/dbraw/zinc/82/73/66/767827366.db2.gz QXRDNLQIWFBIGR-SFHVURJKSA-N 1 1 328.416 0.581 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001054227283 767833907 /nfs/dbraw/zinc/83/39/07/767833907.db2.gz KUDRSEXIZVJXAJ-KRWDZBQOSA-N 1 1 334.420 0.381 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1nc(C)ccc1=O)C2 ZINC001054231179 767840720 /nfs/dbraw/zinc/84/07/20/767840720.db2.gz MUNZHIOJLBYPDW-IBGZPJMESA-N 1 1 342.443 0.890 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001054234584 767843678 /nfs/dbraw/zinc/84/36/78/767843678.db2.gz GRBPEMXFHXIEDP-SFHVURJKSA-N 1 1 347.463 0.781 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@@H]2C1 ZINC001042042293 782660031 /nfs/dbraw/zinc/66/00/31/782660031.db2.gz DPBQFTBAKXXRIY-IAGOWNOFSA-N 1 1 329.444 0.945 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CCn1cncn1 ZINC000993195395 768418190 /nfs/dbraw/zinc/41/81/90/768418190.db2.gz HMYLMFIMVFHOHT-SWLSCSKDSA-N 1 1 327.392 0.761 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@H]2C(N)=O)cc1 ZINC001017952988 768542456 /nfs/dbraw/zinc/54/24/56/768542456.db2.gz LLQBUSVMCXWIHN-TWMKSMIVSA-N 1 1 338.411 0.855 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@H]2C(N)=O)cc1 ZINC001017952988 768542461 /nfs/dbraw/zinc/54/24/61/768542461.db2.gz LLQBUSVMCXWIHN-TWMKSMIVSA-N 1 1 338.411 0.855 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)[C@@H](O)C1 ZINC001083733843 768572803 /nfs/dbraw/zinc/57/28/03/768572803.db2.gz GTUGLRGZWOBOMX-MJBXVCDLSA-N 1 1 329.391 0.148 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)C1 ZINC001055196636 768658404 /nfs/dbraw/zinc/65/84/04/768658404.db2.gz BHUJFISDOVCFGA-XGUBFFRZSA-N 1 1 340.431 0.916 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001018050698 768661274 /nfs/dbraw/zinc/66/12/74/768661274.db2.gz AHMHBSUQXGVTBA-HZSPNIEDSA-N 1 1 327.450 0.272 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2ccnc2)nn1 ZINC001018062796 768678654 /nfs/dbraw/zinc/67/86/54/768678654.db2.gz HGXZWTKFKJNGNU-GASCZTMLSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2ccnc2)nn1 ZINC001018062796 768678656 /nfs/dbraw/zinc/67/86/56/768678656.db2.gz HGXZWTKFKJNGNU-GASCZTMLSA-N 1 1 336.399 0.974 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001018063656 768680057 /nfs/dbraw/zinc/68/00/57/768680057.db2.gz SHTPBUHQMLKAOS-OKILXGFUSA-N 1 1 339.399 0.643 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001018063656 768680058 /nfs/dbraw/zinc/68/00/58/768680058.db2.gz SHTPBUHQMLKAOS-OKILXGFUSA-N 1 1 339.399 0.643 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001018066944 768682389 /nfs/dbraw/zinc/68/23/89/768682389.db2.gz OHRHIOXJRSUWBU-BETUJISGSA-N 1 1 327.388 0.806 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001018066944 768682396 /nfs/dbraw/zinc/68/23/96/768682396.db2.gz OHRHIOXJRSUWBU-BETUJISGSA-N 1 1 327.388 0.806 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@@H]2C1 ZINC001055237782 768693804 /nfs/dbraw/zinc/69/38/04/768693804.db2.gz NALCEKDLVIPTGX-YYIAUSFCSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001099246378 768700369 /nfs/dbraw/zinc/70/03/69/768700369.db2.gz TYEVFLSAQJDYDG-OLZOCXBDSA-N 1 1 329.466 0.164 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH]cn1 ZINC001099246330 768700553 /nfs/dbraw/zinc/70/05/53/768700553.db2.gz SSQVGHZUUYUPCD-HNNXBMFYSA-N 1 1 347.463 0.861 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH]cn1 ZINC001099246330 768700557 /nfs/dbraw/zinc/70/05/57/768700557.db2.gz SSQVGHZUUYUPCD-HNNXBMFYSA-N 1 1 347.463 0.861 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001055250028 768708101 /nfs/dbraw/zinc/70/81/01/768708101.db2.gz LRXLHEMDPRZJHS-BBWFWOEESA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055378497 768834494 /nfs/dbraw/zinc/83/44/94/768834494.db2.gz OFRZPFOQTFLSRP-ZACQAIPSSA-N 1 1 349.475 0.838 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993354818 768852670 /nfs/dbraw/zinc/85/26/70/768852670.db2.gz UCEVVDBTSCYEBJ-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993354818 768852687 /nfs/dbraw/zinc/85/26/87/768852687.db2.gz UCEVVDBTSCYEBJ-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H]1C ZINC000993370499 768897766 /nfs/dbraw/zinc/89/77/66/768897766.db2.gz WEIHFMUIQUKWNS-KGLIPLIRSA-N 1 1 332.452 0.963 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(F)F)CC1 ZINC001055478901 768898621 /nfs/dbraw/zinc/89/86/21/768898621.db2.gz DAXMWIDDLSMFTO-LBPRGKRZSA-N 1 1 347.406 0.930 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001042068181 782710068 /nfs/dbraw/zinc/71/00/68/782710068.db2.gz WFMNBHNGHHRUCS-UONOGXRCSA-N 1 1 330.436 0.988 20 30 ECEDMO CC(=O)CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055515624 768986480 /nfs/dbraw/zinc/98/64/80/768986480.db2.gz FZZKLOUGBINMDE-ZDUSSCGKSA-N 1 1 336.436 0.602 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2cnsn2)CC1 ZINC001055532136 769030021 /nfs/dbraw/zinc/03/00/21/769030021.db2.gz YDLDPUNROCIIAO-JTQLQIEISA-N 1 1 336.421 0.008 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2cncs2)CC1 ZINC001055532408 769031027 /nfs/dbraw/zinc/03/10/27/769031027.db2.gz DIUXPHNXTAJTTI-UHFFFAOYSA-N 1 1 346.456 0.867 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CCC(Nc3cncc(C#N)n3)CC2)C1 ZINC001060583575 769066816 /nfs/dbraw/zinc/06/68/16/769066816.db2.gz HDCUUUBALPIJRT-PIMMBPRGSA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CCC(Nc3cncc(C#N)n3)CC2)C1 ZINC001060583575 769066826 /nfs/dbraw/zinc/06/68/26/769066826.db2.gz HDCUUUBALPIJRT-PIMMBPRGSA-N 1 1 344.419 0.518 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2ncc[nH]2)CC1 ZINC001055572986 769150998 /nfs/dbraw/zinc/15/09/98/769150998.db2.gz MWWGMTHTYIXDOX-UHFFFAOYSA-N 1 1 329.404 0.134 20 30 ECEDMO CC[NH+](CC)CC(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055573609 769155516 /nfs/dbraw/zinc/15/55/16/769155516.db2.gz DOVNKBGFYDEFQK-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H]1C ZINC000993504885 769188509 /nfs/dbraw/zinc/18/85/09/769188509.db2.gz MHLVOVGSARJRJD-HIFRSBDPSA-N 1 1 328.416 0.715 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)C[C@H]21 ZINC001042083669 782732492 /nfs/dbraw/zinc/73/24/92/782732492.db2.gz MJLYSSZQCWNDCU-LSDHHAIUSA-N 1 1 346.431 0.046 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cnco2)CC1 ZINC001055604274 769238691 /nfs/dbraw/zinc/23/86/91/769238691.db2.gz WHIWEJHTPFXIDW-UHFFFAOYSA-N 1 1 332.404 0.789 20 30 ECEDMO CCc1cc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)no1 ZINC001055604594 769240730 /nfs/dbraw/zinc/24/07/30/769240730.db2.gz TYCHMRMOHJEZKI-GFCCVEGCSA-N 1 1 347.419 0.707 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001055625645 769291160 /nfs/dbraw/zinc/29/11/60/769291160.db2.gz HLPCGVZYBUPVDW-CQSZACIVSA-N 1 1 337.468 0.185 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2n[nH]cc2F)CC1 ZINC001055638510 769322810 /nfs/dbraw/zinc/32/28/10/769322810.db2.gz VSUIRRJQALTUKC-UHFFFAOYSA-N 1 1 337.399 0.825 20 30 ECEDMO C=CCCCC(=O)NC1CC[NH+](CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001055648800 769340449 /nfs/dbraw/zinc/34/04/49/769340449.db2.gz NBOLVGZOIRIJAL-UHFFFAOYSA-N 1 1 348.451 0.400 20 30 ECEDMO CCCn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001018681375 769753655 /nfs/dbraw/zinc/75/36/55/769753655.db2.gz BXGUGZIWPDFNHE-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]([NH2+]Cc3nnc4n3CCCC4)C2)c1 ZINC001018682718 769756852 /nfs/dbraw/zinc/75/68/52/769756852.db2.gz RMUWEPRSSXNHHR-ZDUSSCGKSA-N 1 1 339.403 0.818 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000993928326 769835195 /nfs/dbraw/zinc/83/51/95/769835195.db2.gz DWXHAMQZEMRWHW-CYBMUJFWSA-N 1 1 343.431 0.805 20 30 ECEDMO Cn1oc(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)cc1=O ZINC001018774775 769913791 /nfs/dbraw/zinc/91/37/91/769913791.db2.gz OJIUBAMPRKJTIW-AWEZNQCLSA-N 1 1 344.346 0.993 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055836720 769914693 /nfs/dbraw/zinc/91/46/93/769914693.db2.gz DREVGPDSRDYASZ-KSSFIOAISA-N 1 1 337.464 0.763 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001055837024 769918489 /nfs/dbraw/zinc/91/84/89/769918489.db2.gz IXQXLQJWEUDQBN-APWZRJJASA-N 1 1 349.475 0.744 20 30 ECEDMO C[C@H](C[C@@H](C)Nc1ccnc(C#N)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001089356257 769936341 /nfs/dbraw/zinc/93/63/41/769936341.db2.gz WFZLSIFAGWHUHS-ZIAGYGMSSA-N 1 1 346.435 0.188 20 30 ECEDMO Cc1cc(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)c(C#N)cn1 ZINC001055851021 769969334 /nfs/dbraw/zinc/96/93/34/769969334.db2.gz HFQWSCSJWFFKFV-UHFFFAOYSA-N 1 1 343.431 0.633 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001055854625 769984950 /nfs/dbraw/zinc/98/49/50/769984950.db2.gz ISWJYQWNKWDXSC-AWEZNQCLSA-N 1 1 328.420 0.647 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@H]2CCCO2)[C@H](C)C1 ZINC000994131355 770164378 /nfs/dbraw/zinc/16/43/78/770164378.db2.gz FFRGCPHUOAKFAR-WCXIOVBPSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@H]2CCCO2)[C@H](C)C1 ZINC000994131355 770164382 /nfs/dbraw/zinc/16/43/82/770164382.db2.gz FFRGCPHUOAKFAR-WCXIOVBPSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001055910389 770179589 /nfs/dbraw/zinc/17/95/89/770179589.db2.gz NKWIKAGCCNRNTF-GOSISDBHSA-N 1 1 337.464 0.600 20 30 ECEDMO N#Cc1nccc(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)n1 ZINC001055912386 770189241 /nfs/dbraw/zinc/18/92/41/770189241.db2.gz HZBJPBDWNSLPBM-GJZGRUSLSA-N 1 1 340.431 0.871 20 30 ECEDMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1 ZINC001078382707 782816245 /nfs/dbraw/zinc/81/62/45/782816245.db2.gz JFDBLQOZXMGVGB-CYBMUJFWSA-N 1 1 344.375 0.599 20 30 ECEDMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1 ZINC001078383607 782818853 /nfs/dbraw/zinc/81/88/53/782818853.db2.gz AOBAXBUKFVEEOJ-AWEZNQCLSA-N 1 1 343.391 0.036 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001055934699 770277024 /nfs/dbraw/zinc/27/70/24/770277024.db2.gz HKCDTCPNZRPRCG-QFBILLFUSA-N 1 1 349.475 0.600 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001055934566 770277194 /nfs/dbraw/zinc/27/71/94/770277194.db2.gz GJIRJEPPWLSEDK-GOSISDBHSA-N 1 1 337.464 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(F)F)C[C@H]1C ZINC000994192243 770280671 /nfs/dbraw/zinc/28/06/71/770280671.db2.gz DWSDWSHWPYDFMI-UPJWGTAASA-N 1 1 327.375 0.560 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(F)F)C[C@H]1C ZINC000994192243 770280679 /nfs/dbraw/zinc/28/06/79/770280679.db2.gz DWSDWSHWPYDFMI-UPJWGTAASA-N 1 1 327.375 0.560 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C ZINC000994193997 770283177 /nfs/dbraw/zinc/28/31/77/770283177.db2.gz PODQPGLCQFATMC-FMKPAKJESA-N 1 1 344.415 0.597 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C ZINC000994193997 770283182 /nfs/dbraw/zinc/28/31/82/770283182.db2.gz PODQPGLCQFATMC-FMKPAKJESA-N 1 1 344.415 0.597 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@H]1C ZINC001106847648 770305406 /nfs/dbraw/zinc/30/54/06/770305406.db2.gz ZNRTZBHAWBYUNT-BZUAXINKSA-N 1 1 344.459 0.849 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](CC(C)C)C(N)=O)C2)nn1 ZINC001098797295 770405788 /nfs/dbraw/zinc/40/57/88/770405788.db2.gz QOGHTDAAKDCZRP-GJZGRUSLSA-N 1 1 348.451 0.475 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001042138028 782836642 /nfs/dbraw/zinc/83/66/42/782836642.db2.gz KBXKGDOZGLRKCB-CJNGLKHVSA-N 1 1 328.416 0.684 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019012493 770566464 /nfs/dbraw/zinc/56/64/64/770566464.db2.gz LRYCIEMIIYHUOJ-UHFFFAOYSA-N 1 1 326.400 0.666 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001056020655 770578510 /nfs/dbraw/zinc/57/85/10/770578510.db2.gz UWWZDQCUJLGSTG-ZFWWWQNUSA-N 1 1 342.447 0.757 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)c2cc(C#N)c[nH]2)C3)C1 ZINC001019037736 770621728 /nfs/dbraw/zinc/62/17/28/770621728.db2.gz AEULBMPWSPXUQX-AWEZNQCLSA-N 1 1 341.415 0.513 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)C1 ZINC001046963773 770632885 /nfs/dbraw/zinc/63/28/85/770632885.db2.gz JISOSZRYNNPQTJ-KBPBESRZSA-N 1 1 344.406 0.693 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)CC1 ZINC001083751095 770679315 /nfs/dbraw/zinc/67/93/15/770679315.db2.gz FNRYNSHBJLPDAQ-CABCVRRESA-N 1 1 349.431 0.043 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)CC1 ZINC001083751095 770679318 /nfs/dbraw/zinc/67/93/18/770679318.db2.gz FNRYNSHBJLPDAQ-CABCVRRESA-N 1 1 349.431 0.043 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001056057962 770699822 /nfs/dbraw/zinc/69/98/22/770699822.db2.gz CWZXBZOKFFWUJQ-LPHOPBHVSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001056057964 770699893 /nfs/dbraw/zinc/69/98/93/770699893.db2.gz CWZXBZOKFFWUJQ-QFBILLFUSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@H]21 ZINC001042159769 782871959 /nfs/dbraw/zinc/87/19/59/782871959.db2.gz HCLKBDUGFNFZCC-XJKSGUPXSA-N 1 1 339.399 0.501 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2O)CC1 ZINC001083754289 770905074 /nfs/dbraw/zinc/90/50/74/770905074.db2.gz JUYCPXCCHTWXAY-PMPSAXMXSA-N 1 1 335.448 0.515 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2O)CC1 ZINC001083754289 770905077 /nfs/dbraw/zinc/90/50/77/770905077.db2.gz JUYCPXCCHTWXAY-PMPSAXMXSA-N 1 1 335.448 0.515 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 ZINC001042163359 782877560 /nfs/dbraw/zinc/87/75/60/782877560.db2.gz SHFPOHVRFYNCRM-HUUCEWRRSA-N 1 1 333.436 0.471 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001060693844 770976246 /nfs/dbraw/zinc/97/62/46/770976246.db2.gz QDEWOLQFPBGFGV-VQHPVUNQSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001060699675 771015780 /nfs/dbraw/zinc/01/57/80/771015780.db2.gz CTRZGDKTUOIULR-BRWVUGGUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001060699675 771015785 /nfs/dbraw/zinc/01/57/85/771015785.db2.gz CTRZGDKTUOIULR-BRWVUGGUSA-N 1 1 349.475 0.912 20 30 ECEDMO Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)c1C#N ZINC001056228148 771021128 /nfs/dbraw/zinc/02/11/28/771021128.db2.gz OOCXZJCVFYZMFX-ZZVYKPCYSA-N 1 1 331.445 0.826 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)C[C@H]21 ZINC001042172871 782887967 /nfs/dbraw/zinc/88/79/67/782887967.db2.gz JWEFOAWEYFIQRZ-HUUCEWRRSA-N 1 1 341.415 0.605 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC001019238212 771042405 /nfs/dbraw/zinc/04/24/05/771042405.db2.gz QVXRHSYWZYSGJN-NSHDSACASA-N 1 1 344.419 0.972 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001056305871 771098611 /nfs/dbraw/zinc/09/86/11/771098611.db2.gz HLUBYDXKFGUGMO-QSJFSLAZSA-N 1 1 340.431 0.772 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001056306555 771099557 /nfs/dbraw/zinc/09/95/57/771099557.db2.gz MACHNQGCMOXHCQ-DLTWYDFYSA-N 1 1 340.431 0.772 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042182356 782903187 /nfs/dbraw/zinc/90/31/87/782903187.db2.gz DSORNAVMNCKPAG-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001019364942 771208548 /nfs/dbraw/zinc/20/85/48/771208548.db2.gz PMXGPUGNESOIDS-KKUMJFAQSA-N 1 1 332.448 0.937 20 30 ECEDMO CN(CCOCCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001127443455 771213681 /nfs/dbraw/zinc/21/36/81/771213681.db2.gz NJTVSRGNUBAUIO-HNNXBMFYSA-N 1 1 346.435 0.719 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)C1 ZINC001056404323 771232540 /nfs/dbraw/zinc/23/25/40/771232540.db2.gz WYXFMHQWFJUZFR-HALDLXJZSA-N 1 1 340.431 0.631 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)C1 ZINC001056406815 771235155 /nfs/dbraw/zinc/23/51/55/771235155.db2.gz GFUJBEOERJCTRN-HVOFVXBASA-N 1 1 326.404 0.241 20 30 ECEDMO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001031554658 771271400 /nfs/dbraw/zinc/27/14/00/771271400.db2.gz FGGVBGLSXFBCRR-QGZVFWFLSA-N 1 1 345.399 0.530 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001056460767 771295499 /nfs/dbraw/zinc/29/54/99/771295499.db2.gz JWVDTBZCDUQLCU-WTTBNOFXSA-N 1 1 325.416 0.988 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056496230 771335390 /nfs/dbraw/zinc/33/53/90/771335390.db2.gz LHCCFFFQWRKASJ-OWCLPIDISA-N 1 1 335.448 0.875 20 30 ECEDMO CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C#CC(C)C ZINC001212240871 771350723 /nfs/dbraw/zinc/35/07/23/771350723.db2.gz FNNPDOJCNLKVHY-YNEHKIRRSA-N 1 1 336.354 0.775 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C#CC(C)C ZINC001212240871 771350724 /nfs/dbraw/zinc/35/07/24/771350724.db2.gz FNNPDOJCNLKVHY-YNEHKIRRSA-N 1 1 336.354 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC(C)(C)C1 ZINC001089551541 771464412 /nfs/dbraw/zinc/46/44/12/771464412.db2.gz IIJQYQUYNIXZMA-ZDUSSCGKSA-N 1 1 348.447 0.557 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001056648327 771467156 /nfs/dbraw/zinc/46/71/56/771467156.db2.gz QLLLFQROUMHOJB-NVXWUHKLSA-N 1 1 343.431 0.417 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001056648327 771467159 /nfs/dbraw/zinc/46/71/59/771467159.db2.gz QLLLFQROUMHOJB-NVXWUHKLSA-N 1 1 343.431 0.417 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)CC(C)(C)C1 ZINC001089555882 771473300 /nfs/dbraw/zinc/47/33/00/771473300.db2.gz NLXMDARXHGJSFN-CYBMUJFWSA-N 1 1 334.420 0.168 20 30 ECEDMO N#Cc1ccc(N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)nn1 ZINC001056666906 771490296 /nfs/dbraw/zinc/49/02/96/771490296.db2.gz JMUYSDIZQDAKSK-CQSZACIVSA-N 1 1 330.392 0.083 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561399 771494774 /nfs/dbraw/zinc/49/47/74/771494774.db2.gz PKLLZGXWZTVGAO-KBPBESRZSA-N 1 1 343.493 0.861 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089562055 771498615 /nfs/dbraw/zinc/49/86/15/771498615.db2.gz WFCWOVCYUHAOJK-ZIAGYGMSSA-N 1 1 341.477 0.308 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC(C)(C)C1 ZINC001089565183 771512731 /nfs/dbraw/zinc/51/27/31/771512731.db2.gz PBTZZAPJLPUYCH-ZDUSSCGKSA-N 1 1 346.435 0.007 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089569104 771530348 /nfs/dbraw/zinc/53/03/48/771530348.db2.gz BLZZDZACIIQLJS-KBPBESRZSA-N 1 1 333.432 0.669 20 30 ECEDMO CN(c1ccncc1C#N)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001056880260 771757699 /nfs/dbraw/zinc/75/76/99/771757699.db2.gz YXGJOSXINLCMCI-HOCLYGCPSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ccncc1C#N)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001056880260 771757703 /nfs/dbraw/zinc/75/77/03/771757703.db2.gz YXGJOSXINLCMCI-HOCLYGCPSA-N 1 1 329.404 0.321 20 30 ECEDMO N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001019795060 771805756 /nfs/dbraw/zinc/80/57/56/771805756.db2.gz GNDZVYZACNBYGN-HOTGVXAUSA-N 1 1 347.440 0.826 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001078440515 782956247 /nfs/dbraw/zinc/95/62/47/782956247.db2.gz ASKDBOZVSXENAS-STQMWFEESA-N 1 1 336.440 0.690 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@@H]1C=CCC1 ZINC001056929949 771821288 /nfs/dbraw/zinc/82/12/88/771821288.db2.gz XQRUIRMZCJKKDM-SJORKVTESA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@@H]1C=CCC1 ZINC001056929949 771821293 /nfs/dbraw/zinc/82/12/93/771821293.db2.gz XQRUIRMZCJKKDM-SJORKVTESA-N 1 1 347.459 0.377 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3cncc(C#N)n3)C2)C1 ZINC001056930503 771822054 /nfs/dbraw/zinc/82/20/54/771822054.db2.gz MDIXOCRXMDPUJC-CABCVRRESA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3cncc(C#N)n3)C2)C1 ZINC001056930503 771822061 /nfs/dbraw/zinc/82/20/61/771822061.db2.gz MDIXOCRXMDPUJC-CABCVRRESA-N 1 1 344.419 0.106 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CCN3CCCC3=O)C2)CC1 ZINC001019812326 771826484 /nfs/dbraw/zinc/82/64/84/771826484.db2.gz JVCUBPSRMIFVTB-KRWDZBQOSA-N 1 1 346.475 0.145 20 30 ECEDMO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001056949624 771853343 /nfs/dbraw/zinc/85/33/43/771853343.db2.gz QKFFHMFOUVCWQX-QAPCUYQASA-N 1 1 340.431 0.871 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057028257 771963805 /nfs/dbraw/zinc/96/38/05/771963805.db2.gz ZFVKQIVEJJQEGN-UKRRQHHQSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3nccnc3C#N)C2)C1 ZINC001057029975 771967343 /nfs/dbraw/zinc/96/73/43/771967343.db2.gz WJKUZZRDJOBZBV-ZIAGYGMSSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)cn3)C2)O1 ZINC001057063171 772020743 /nfs/dbraw/zinc/02/07/43/772020743.db2.gz XBBAVNSWMNPQFH-VNQPRFMTSA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)cn3)C2)O1 ZINC001057063171 772020747 /nfs/dbraw/zinc/02/07/47/772020747.db2.gz XBBAVNSWMNPQFH-VNQPRFMTSA-N 1 1 343.431 0.709 20 30 ECEDMO Cc1cc(C#N)nc(N2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001057115174 772108664 /nfs/dbraw/zinc/10/86/64/772108664.db2.gz FPOWLTINOTZMFQ-HNNXBMFYSA-N 1 1 344.419 0.026 20 30 ECEDMO Cc1cc(C#N)nc(N2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001057115174 772108665 /nfs/dbraw/zinc/10/86/65/772108665.db2.gz FPOWLTINOTZMFQ-HNNXBMFYSA-N 1 1 344.419 0.026 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccn2C)[C@H]1C ZINC001020061975 772116714 /nfs/dbraw/zinc/11/67/14/772116714.db2.gz DUMMPSXZXZPDQU-JYJNAYRXSA-N 1 1 342.443 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccn2C)[C@H]1C ZINC001020061975 772116718 /nfs/dbraw/zinc/11/67/18/772116718.db2.gz DUMMPSXZXZPDQU-JYJNAYRXSA-N 1 1 342.443 0.842 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)cn1 ZINC001020127120 772192037 /nfs/dbraw/zinc/19/20/37/772192037.db2.gz VECUHDRYZDBPBH-RRQGHBQHSA-N 1 1 340.427 0.876 20 30 ECEDMO C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001020132986 772199715 /nfs/dbraw/zinc/19/97/15/772199715.db2.gz AJYNOLLVPQLNEJ-MGCOHNPYSA-N 1 1 328.214 0.801 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001078459997 782986553 /nfs/dbraw/zinc/98/65/53/782986553.db2.gz HQDNKVBKDBVXJA-XJKSGUPXSA-N 1 1 336.440 0.520 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001020192568 772263966 /nfs/dbraw/zinc/26/39/66/772263966.db2.gz RBJOBFNDPXEWJW-CORIIIEPSA-N 1 1 329.404 0.700 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001020201575 772276929 /nfs/dbraw/zinc/27/69/29/772276929.db2.gz PXCZQABWHYOGNK-XEZPLFJOSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C)C1 ZINC001020202273 772277512 /nfs/dbraw/zinc/27/75/12/772277512.db2.gz PUDDSXJLEWWIHK-XEZPLFJOSA-N 1 1 343.431 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001057213442 772289743 /nfs/dbraw/zinc/28/97/43/772289743.db2.gz IKDNDUDPMMZMRG-KRWDZBQOSA-N 1 1 343.427 0.313 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnon3)C2)c1 ZINC001078466772 783001258 /nfs/dbraw/zinc/00/12/58/783001258.db2.gz LBCFXSHLXWBGDF-MRXNPFEDSA-N 1 1 341.371 0.467 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001078468032 783005512 /nfs/dbraw/zinc/00/55/12/783005512.db2.gz VNWZSKXYRJSSFB-ULQDDVLXSA-N 1 1 348.491 0.579 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001020241322 772337015 /nfs/dbraw/zinc/33/70/15/772337015.db2.gz DLDQJRWYBUDPAM-AVGNSLFASA-N 1 1 329.408 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C1CC1 ZINC001057287190 772406156 /nfs/dbraw/zinc/40/61/56/772406156.db2.gz DNRNYLAVVIABDL-HOCLYGCPSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C1CC1 ZINC001057287190 772406159 /nfs/dbraw/zinc/40/61/59/772406159.db2.gz DNRNYLAVVIABDL-HOCLYGCPSA-N 1 1 335.448 0.067 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccon2)C1 ZINC001078472224 783016358 /nfs/dbraw/zinc/01/63/58/783016358.db2.gz RCNYBUQDMWUXLT-OAGGEKHMSA-N 1 1 335.404 0.973 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057537600 772732629 /nfs/dbraw/zinc/73/26/29/772732629.db2.gz HIOLBNDKOJXKTJ-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(CNc2ccnc(C#N)n2)CC1 ZINC001057541637 772738166 /nfs/dbraw/zinc/73/81/66/772738166.db2.gz NERDSJZBKUAVRG-HIFRSBDPSA-N 1 1 342.447 0.618 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC(CNc2ccnc(C#N)n2)CC1)C1CCC1 ZINC001057551920 772748280 /nfs/dbraw/zinc/74/82/80/772748280.db2.gz YBUKNQBWHFPMRT-UHFFFAOYSA-N 1 1 342.447 0.905 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057598810 772794573 /nfs/dbraw/zinc/79/45/73/772794573.db2.gz ICRSMNCFFLJREX-CVEARBPZSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057636540 772843793 /nfs/dbraw/zinc/84/37/93/772843793.db2.gz SZRWFUPADWTXLO-AWEZNQCLSA-N 1 1 325.453 0.478 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057643676 772855197 /nfs/dbraw/zinc/85/51/97/772855197.db2.gz GXPUNYDOGSQAMG-UHFFFAOYSA-N 1 1 334.420 0.322 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057654304 772870384 /nfs/dbraw/zinc/87/03/84/772870384.db2.gz CZTGEUVJHPUMNE-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057654304 772870385 /nfs/dbraw/zinc/87/03/85/772870385.db2.gz CZTGEUVJHPUMNE-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001057804378 773002492 /nfs/dbraw/zinc/00/24/92/773002492.db2.gz FTSMNTSVXQYTON-OAHLLOKOSA-N 1 1 325.453 0.622 20 30 ECEDMO C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001057853085 773072106 /nfs/dbraw/zinc/07/21/06/773072106.db2.gz CKXNJXGIPMJNEJ-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057875648 773112761 /nfs/dbraw/zinc/11/27/61/773112761.db2.gz DQCJCRPMVPXSHK-OAHLLOKOSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057875648 773112762 /nfs/dbraw/zinc/11/27/62/773112762.db2.gz DQCJCRPMVPXSHK-OAHLLOKOSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057885365 773130660 /nfs/dbraw/zinc/13/06/60/773130660.db2.gz RUEWNNIIJIKZJL-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001057974236 773319333 /nfs/dbraw/zinc/31/93/33/773319333.db2.gz OJDLCAXZZKXDRH-IRXDYDNUSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001058038982 773404479 /nfs/dbraw/zinc/40/44/79/773404479.db2.gz MFEFILJXHFKVNY-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCN(c2ncccc2C#N)CC1 ZINC001058043340 773416749 /nfs/dbraw/zinc/41/67/49/773416749.db2.gz JOWCRUQOEHOOKX-MRXNPFEDSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCN(c2ncccc2C#N)CC1 ZINC001058043340 773416753 /nfs/dbraw/zinc/41/67/53/773416753.db2.gz JOWCRUQOEHOOKX-MRXNPFEDSA-N 1 1 343.431 0.711 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040612478 783100558 /nfs/dbraw/zinc/10/05/58/783100558.db2.gz DHWMDVDCKOWUSR-MDZRGWNJSA-N 1 1 349.475 0.600 20 30 ECEDMO Cc1nc(N2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001058134997 773605606 /nfs/dbraw/zinc/60/56/06/773605606.db2.gz UDMPRKMBBGQECD-HZPDHXFCSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1nc(N2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001058134997 773605608 /nfs/dbraw/zinc/60/56/08/773605608.db2.gz UDMPRKMBBGQECD-HZPDHXFCSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC001058164305 773675135 /nfs/dbraw/zinc/67/51/35/773675135.db2.gz OHYZUSFSXDKXKV-CYBMUJFWSA-N 1 1 325.376 0.638 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058167740 773684430 /nfs/dbraw/zinc/68/44/30/773684430.db2.gz KXSBEBFZIWWOMV-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058167740 773684434 /nfs/dbraw/zinc/68/44/34/773684434.db2.gz KXSBEBFZIWWOMV-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058211911 773782587 /nfs/dbraw/zinc/78/25/87/773782587.db2.gz TVJPOTKYSRLKLT-CYBMUJFWSA-N 1 1 325.376 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058264224 773875981 /nfs/dbraw/zinc/87/59/81/773875981.db2.gz QMUIZHFBZKGWKL-ZBFHGGJFSA-N 1 1 338.415 0.531 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058264224 773875985 /nfs/dbraw/zinc/87/59/85/773875985.db2.gz QMUIZHFBZKGWKL-ZBFHGGJFSA-N 1 1 338.415 0.531 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058265620 773879525 /nfs/dbraw/zinc/87/95/25/773879525.db2.gz NAOJVHXPJFJXEY-HUUCEWRRSA-N 1 1 328.420 0.918 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001058287916 773922996 /nfs/dbraw/zinc/92/29/96/773922996.db2.gz IXKFXQFEUFCMIG-UHFFFAOYSA-N 1 1 327.469 0.866 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3snc(C)c3C#N)C2)C1 ZINC001058376308 774060112 /nfs/dbraw/zinc/06/01/12/774060112.db2.gz JXJQCDONWLQIGX-GXTWGEPZSA-N 1 1 349.460 0.739 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3snc(C)c3C#N)C2)C1 ZINC001058376308 774060119 /nfs/dbraw/zinc/06/01/19/774060119.db2.gz JXJQCDONWLQIGX-GXTWGEPZSA-N 1 1 349.460 0.739 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058381973 774069660 /nfs/dbraw/zinc/06/96/60/774069660.db2.gz ZSFKYYYJBFQJQV-KGLIPLIRSA-N 1 1 328.420 0.918 20 30 ECEDMO N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)cn1 ZINC001058469341 774245749 /nfs/dbraw/zinc/24/57/49/774245749.db2.gz DUPILOIVOPVPGM-GXTWGEPZSA-N 1 1 337.387 0.817 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)O1 ZINC001058587650 774484618 /nfs/dbraw/zinc/48/46/18/774484618.db2.gz GYRRPYTZXANZGR-IVMMDQJWSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)O1 ZINC001058587650 774484619 /nfs/dbraw/zinc/48/46/19/774484619.db2.gz GYRRPYTZXANZGR-IVMMDQJWSA-N 1 1 329.404 0.367 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001058588187 774486344 /nfs/dbraw/zinc/48/63/44/774486344.db2.gz TZOFSAGWTNPLKN-UKPHBRMFSA-N 1 1 343.431 0.676 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001058588187 774486347 /nfs/dbraw/zinc/48/63/47/774486347.db2.gz TZOFSAGWTNPLKN-UKPHBRMFSA-N 1 1 343.431 0.676 20 30 ECEDMO Cc1cc(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001058588186 774486461 /nfs/dbraw/zinc/48/64/61/774486461.db2.gz TZOFSAGWTNPLKN-FRFSOERESA-N 1 1 343.431 0.676 20 30 ECEDMO Cc1cc(N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001058588186 774486467 /nfs/dbraw/zinc/48/64/67/774486467.db2.gz TZOFSAGWTNPLKN-FRFSOERESA-N 1 1 343.431 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncc(Cl)cn2)C1 ZINC001058589384 774491305 /nfs/dbraw/zinc/49/13/05/774491305.db2.gz BQBMUHYTQZVDOI-KGLIPLIRSA-N 1 1 333.823 0.923 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncc(Cl)cn2)C1 ZINC001058589384 774491307 /nfs/dbraw/zinc/49/13/07/774491307.db2.gz BQBMUHYTQZVDOI-KGLIPLIRSA-N 1 1 333.823 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nccc(SC)n2)C1 ZINC001058590713 774493012 /nfs/dbraw/zinc/49/30/12/774493012.db2.gz LHBZMZLICUQIEK-KBPBESRZSA-N 1 1 345.472 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nccc(SC)n2)C1 ZINC001058590713 774493017 /nfs/dbraw/zinc/49/30/17/774493017.db2.gz LHBZMZLICUQIEK-KBPBESRZSA-N 1 1 345.472 0.991 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058626711 774565634 /nfs/dbraw/zinc/56/56/34/774565634.db2.gz VWSPSXVBEPCTFW-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O ZINC001044779271 774603860 /nfs/dbraw/zinc/60/38/60/774603860.db2.gz YRHUXCVFZLELOH-KFWWJZLASA-N 1 1 347.394 0.242 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039859013 783201455 /nfs/dbraw/zinc/20/14/55/783201455.db2.gz XEAPXDPHBIBONW-GPMSIDNRSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001044980572 774795700 /nfs/dbraw/zinc/79/57/00/774795700.db2.gz OFQGDOFJGLBXAR-KBPBESRZSA-N 1 1 339.480 0.864 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001045030535 774866309 /nfs/dbraw/zinc/86/63/09/774866309.db2.gz JLUIVRZOQPZTRP-AWEZNQCLSA-N 1 1 329.404 0.302 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001045068274 774926621 /nfs/dbraw/zinc/92/66/21/774926621.db2.gz CSYFBSHRGZALMG-CQSZACIVSA-N 1 1 325.453 0.618 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001045068225 774926736 /nfs/dbraw/zinc/92/67/36/774926736.db2.gz BMEIOSHMPYWSDP-AWEZNQCLSA-N 1 1 334.420 0.483 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1ncc(C)cn1 ZINC001045073819 774936838 /nfs/dbraw/zinc/93/68/38/774936838.db2.gz QRIARYNNZIGINX-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1ncc(C)cn1 ZINC001045073819 774936842 /nfs/dbraw/zinc/93/68/42/774936842.db2.gz QRIARYNNZIGINX-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(c4nccnc4C#N)C[C@H]32)C1 ZINC001040673724 783229351 /nfs/dbraw/zinc/22/93/51/783229351.db2.gz JTLPDWSOHQEBON-OFQRWUPVSA-N 1 1 340.431 0.727 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001045207625 775150163 /nfs/dbraw/zinc/15/01/63/775150163.db2.gz CPEWNAURDZPTME-ZNMIVQPWSA-N 1 1 346.435 0.680 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2n2ccnn2)CC1 ZINC001070016643 790335135 /nfs/dbraw/zinc/33/51/35/790335135.db2.gz WDVBASFZTKJEPH-BMFZPTHFSA-N 1 1 333.436 0.747 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCCN2CCCC2=O)C1 ZINC001043916852 775307744 /nfs/dbraw/zinc/30/77/44/775307744.db2.gz ZHCVAYFOWKWJFC-CVEARBPZSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2conc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070023401 790358723 /nfs/dbraw/zinc/35/87/23/790358723.db2.gz PMMPURFCAUIGHL-CABCVRRESA-N 1 1 340.387 0.822 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2conc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070023401 790358735 /nfs/dbraw/zinc/35/87/35/790358735.db2.gz PMMPURFCAUIGHL-CABCVRRESA-N 1 1 340.387 0.822 20 30 ECEDMO CC1(NC(=O)c2ccc(C#N)[nH]2)CC[NH+](CC(=O)NC2CC2)CC1 ZINC001045410517 775556472 /nfs/dbraw/zinc/55/64/72/775556472.db2.gz YRKBLCSVBDXWNY-UHFFFAOYSA-N 1 1 329.404 0.749 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(C)(NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001045489796 775694473 /nfs/dbraw/zinc/69/44/73/775694473.db2.gz LRLPPYODJCGGHB-ZDUSSCGKSA-N 1 1 332.408 0.176 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001070031288 790392542 /nfs/dbraw/zinc/39/25/42/790392542.db2.gz PZDXQWGKLSUCSG-WCVJEAGWSA-N 1 1 331.420 0.621 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O ZINC001044192410 775889563 /nfs/dbraw/zinc/88/95/63/775889563.db2.gz XAZJJHCUOHRHDA-OAGGEKHMSA-N 1 1 343.431 0.492 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001068494042 790403432 /nfs/dbraw/zinc/40/34/32/790403432.db2.gz KJDQQDXBRBWJQQ-IHRRRGAJSA-N 1 1 328.420 0.915 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001068497280 790409585 /nfs/dbraw/zinc/40/95/85/790409585.db2.gz QABJUVCRJITFEX-UMVBOHGHSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001068497280 790409593 /nfs/dbraw/zinc/40/95/93/790409593.db2.gz QABJUVCRJITFEX-UMVBOHGHSA-N 1 1 344.419 0.376 20 30 ECEDMO C=CCOCC(=O)NC1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001070036870 790409606 /nfs/dbraw/zinc/40/96/06/790409606.db2.gz UXQVFFMZZHDJQQ-AWEZNQCLSA-N 1 1 339.436 0.065 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001044405452 776280788 /nfs/dbraw/zinc/28/07/88/776280788.db2.gz YMYFNCVCEGYCNU-UHFFFAOYSA-N 1 1 334.420 0.483 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001044418210 776288289 /nfs/dbraw/zinc/28/82/89/776288289.db2.gz JYCLEDJKWNOZJK-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)n1 ZINC001044537744 776408281 /nfs/dbraw/zinc/40/82/81/776408281.db2.gz DJACEBQNQUSJQZ-IMJJTQAJSA-N 1 1 343.431 0.412 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001044560190 776439889 /nfs/dbraw/zinc/43/98/89/776439889.db2.gz RIWARJVOCIDTHZ-WDEREUQCSA-N 1 1 328.380 0.193 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cn(CC=C)nn2)[C@@H](n2ccnn2)C1 ZINC001070051797 790456180 /nfs/dbraw/zinc/45/61/80/790456180.db2.gz PLYHYYXUIZDYQB-HIFRSBDPSA-N 1 1 342.407 0.287 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC(N(CC)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001079618215 776534355 /nfs/dbraw/zinc/53/43/55/776534355.db2.gz SHMRAHYBGYQSSU-UHFFFAOYSA-N 1 1 331.420 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2ccoc2)C1 ZINC001079664035 776644125 /nfs/dbraw/zinc/64/41/25/776644125.db2.gz KHFYFLIXRQFUEI-KRWDZBQOSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2ccoc2)C1 ZINC001079664035 776644132 /nfs/dbraw/zinc/64/41/32/776644132.db2.gz KHFYFLIXRQFUEI-KRWDZBQOSA-N 1 1 343.427 0.979 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnnn3CC)C2)C1=O ZINC001079665720 776647400 /nfs/dbraw/zinc/64/74/00/776647400.db2.gz ICLZUMHFSUOHQS-MCIONIFRSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnnn3CC)C2)C1=O ZINC001079665720 776647406 /nfs/dbraw/zinc/64/74/06/776647406.db2.gz ICLZUMHFSUOHQS-MCIONIFRSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@H]1C ZINC001079878005 777010289 /nfs/dbraw/zinc/01/02/89/777010289.db2.gz AKKRCDZGSZONKP-OLMNPRSZSA-N 1 1 343.475 0.763 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@H]1C ZINC001079878005 777010295 /nfs/dbraw/zinc/01/02/95/777010295.db2.gz AKKRCDZGSZONKP-OLMNPRSZSA-N 1 1 343.475 0.763 20 30 ECEDMO C=CCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001079900140 777045190 /nfs/dbraw/zinc/04/51/90/777045190.db2.gz VKFFYWHOHCUDPI-GOEBONIOSA-N 1 1 335.448 0.875 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001068539769 790518650 /nfs/dbraw/zinc/51/86/50/790518650.db2.gz RTCJVRFUXLRJAI-JKSUJKDBSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001079966461 777166424 /nfs/dbraw/zinc/16/64/24/777166424.db2.gz WAXQLJVFMAOTLB-SFHVURJKSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001079978054 777182816 /nfs/dbraw/zinc/18/28/16/777182816.db2.gz CPTQZVIWSZVOIV-ZBFHGGJFSA-N 1 1 337.464 0.836 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O ZINC001080288318 777649862 /nfs/dbraw/zinc/64/98/62/777649862.db2.gz OUHITIRLNZJMLC-XOKHGSTOSA-N 1 1 340.427 0.973 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001080308324 777665978 /nfs/dbraw/zinc/66/59/78/777665978.db2.gz GCJVMBPWGQGPPV-HOCLYGCPSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001080308324 777665983 /nfs/dbraw/zinc/66/59/83/777665983.db2.gz GCJVMBPWGQGPPV-HOCLYGCPSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001070086600 790557417 /nfs/dbraw/zinc/55/74/17/790557417.db2.gz CADBOKUVGURQAH-ILXRZTDVSA-N 1 1 346.435 0.207 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001070086600 790557422 /nfs/dbraw/zinc/55/74/22/790557422.db2.gz CADBOKUVGURQAH-ILXRZTDVSA-N 1 1 346.435 0.207 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2C)CC1 ZINC001080391685 777785206 /nfs/dbraw/zinc/78/52/06/777785206.db2.gz ZLMWXBNYJDICBS-YUELXQCFSA-N 1 1 333.432 0.975 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2C)CC1 ZINC001080391685 777785213 /nfs/dbraw/zinc/78/52/13/777785213.db2.gz ZLMWXBNYJDICBS-YUELXQCFSA-N 1 1 333.432 0.975 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccccc2C#C)[C@@H](n2ccnn2)C1 ZINC001070088962 790565866 /nfs/dbraw/zinc/56/58/66/790565866.db2.gz NYHYAGBTYGQAIE-MOPGFXCFSA-N 1 1 347.422 0.867 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001043187704 777912194 /nfs/dbraw/zinc/91/21/94/777912194.db2.gz PJNHTMICCQBLGH-HNNXBMFYSA-N 1 1 335.448 0.539 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001080557631 778022798 /nfs/dbraw/zinc/02/27/98/778022798.db2.gz BLXKHEAPFYAWQH-GDBMZVCRSA-N 1 1 337.464 0.836 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001043244366 778039238 /nfs/dbraw/zinc/03/92/38/778039238.db2.gz BHHHNKLXGTYQOJ-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2C)cc1 ZINC001080575367 778071940 /nfs/dbraw/zinc/07/19/40/778071940.db2.gz RSRSYWYFGSXFET-CKEIUWERSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2C)cc1 ZINC001080575367 778071947 /nfs/dbraw/zinc/07/19/47/778071947.db2.gz RSRSYWYFGSXFET-CKEIUWERSA-N 1 1 343.427 0.883 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]2C)nn1 ZINC001080578863 778083782 /nfs/dbraw/zinc/08/37/82/778083782.db2.gz DFFWUJWDXVBZHC-NFAWXSAZSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]2C)nn1 ZINC001080578863 778083795 /nfs/dbraw/zinc/08/37/95/778083795.db2.gz DFFWUJWDXVBZHC-NFAWXSAZSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001043316082 778147902 /nfs/dbraw/zinc/14/79/02/778147902.db2.gz VVXASHNLGOIHHE-AWEZNQCLSA-N 1 1 346.431 0.806 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070098730 790599634 /nfs/dbraw/zinc/59/96/34/790599634.db2.gz PDBUHIIJUVMMRM-CVEARBPZSA-N 1 1 341.419 0.998 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001043357054 778218913 /nfs/dbraw/zinc/21/89/13/778218913.db2.gz IJPUSRRWFWOUPY-OAHLLOKOSA-N 1 1 331.420 0.121 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001043413327 778287679 /nfs/dbraw/zinc/28/76/79/778287679.db2.gz ALTGVQJNRBVSPX-IYBDPMFKSA-N 1 1 349.475 0.742 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001043414543 778289656 /nfs/dbraw/zinc/28/96/56/778289656.db2.gz KRIXCUMKBLWKSQ-GASCZTMLSA-N 1 1 337.464 0.905 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 ZINC001043448851 778351358 /nfs/dbraw/zinc/35/13/58/778351358.db2.gz JDSNPXYXOVMSAM-MRXNPFEDSA-N 1 1 347.459 0.067 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(N(C)C)ccn2)[C@@H](n2ccnn2)C1 ZINC001070105682 790621886 /nfs/dbraw/zinc/62/18/86/790621886.db2.gz ARYOOKAGQHADGM-CVEARBPZSA-N 1 1 341.419 0.580 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(N(C)C)ccn2)[C@@H](n2ccnn2)C1 ZINC001070105682 790621894 /nfs/dbraw/zinc/62/18/94/790621894.db2.gz ARYOOKAGQHADGM-CVEARBPZSA-N 1 1 341.419 0.580 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001043517076 778450199 /nfs/dbraw/zinc/45/01/99/778450199.db2.gz KBEOQZHLZUHZSB-UMVBOHGHSA-N 1 1 328.420 0.949 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001043530586 778479111 /nfs/dbraw/zinc/47/91/11/778479111.db2.gz LEVWJOVJNLLJNG-UHFFFAOYSA-N 1 1 349.475 0.929 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001043534579 778486186 /nfs/dbraw/zinc/48/61/86/778486186.db2.gz DLSPFWVIMMPYMP-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070110404 790637182 /nfs/dbraw/zinc/63/71/82/790637182.db2.gz PFPHEOSFHMSQKC-IMJJTQAJSA-N 1 1 341.419 0.180 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070111914 790642496 /nfs/dbraw/zinc/64/24/96/790642496.db2.gz FLVHSNBDBOVVRZ-HOCLYGCPSA-N 1 1 347.459 0.379 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043773368 778850864 /nfs/dbraw/zinc/85/08/64/778850864.db2.gz NQNKYGNXIYJSFY-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 ZINC001068598866 790679415 /nfs/dbraw/zinc/67/94/15/790679415.db2.gz YOMNHWMMLIYQPC-ZIAGYGMSSA-N 1 1 336.436 0.364 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(C)no2)C[C@@H]1n1ccnn1 ZINC001070137570 790721316 /nfs/dbraw/zinc/72/13/16/790721316.db2.gz OZXQZFVQARIOIC-NEPJUHHUSA-N 1 1 336.783 0.982 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]21 ZINC001042286468 779991852 /nfs/dbraw/zinc/99/18/52/779991852.db2.gz AKJZOOJNVRTNAY-HOTGVXAUSA-N 1 1 328.416 0.416 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001042303039 780024716 /nfs/dbraw/zinc/02/47/16/780024716.db2.gz CJEXHNOXZSCJCC-KGLIPLIRSA-N 1 1 344.415 0.668 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001042303039 780024724 /nfs/dbraw/zinc/02/47/24/780024724.db2.gz CJEXHNOXZSCJCC-KGLIPLIRSA-N 1 1 344.415 0.668 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 ZINC001042309275 780044865 /nfs/dbraw/zinc/04/48/65/780044865.db2.gz BLDNSEONQFTMFJ-UONOGXRCSA-N 1 1 334.420 0.379 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]21 ZINC001042311184 780049076 /nfs/dbraw/zinc/04/90/76/780049076.db2.gz GWDIBXZWFUMRQR-OCCSQVGLSA-N 1 1 325.372 0.605 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]21 ZINC001042313438 780056077 /nfs/dbraw/zinc/05/60/77/780056077.db2.gz UFXWIACHZBOIDH-HIFRSBDPSA-N 1 1 339.399 0.995 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@H]21 ZINC001042314040 780056268 /nfs/dbraw/zinc/05/62/68/780056268.db2.gz WZGNAYTWXZTQKT-DZGCQCFKSA-N 1 1 339.399 0.995 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C1 ZINC001042326339 780076897 /nfs/dbraw/zinc/07/68/97/780076897.db2.gz NXILDECAMGAZLM-NVXWUHKLSA-N 1 1 325.412 0.619 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C1 ZINC001042326339 780076905 /nfs/dbraw/zinc/07/69/05/780076905.db2.gz NXILDECAMGAZLM-NVXWUHKLSA-N 1 1 325.412 0.619 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001042345132 780108417 /nfs/dbraw/zinc/10/84/17/780108417.db2.gz IFZXACRFGYFZDJ-CHWSQXEVSA-N 1 1 339.823 0.811 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001042345132 780108421 /nfs/dbraw/zinc/10/84/21/780108421.db2.gz IFZXACRFGYFZDJ-CHWSQXEVSA-N 1 1 339.823 0.811 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]21 ZINC001042353030 780123827 /nfs/dbraw/zinc/12/38/27/780123827.db2.gz GQDIGBJSWIKJQX-JSGCOSHPSA-N 1 1 330.388 0.046 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 ZINC001042363305 780147253 /nfs/dbraw/zinc/14/72/53/780147253.db2.gz QVCXNYKEKXRGGB-HIFRSBDPSA-N 1 1 326.400 0.740 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]21 ZINC001042363824 780149134 /nfs/dbraw/zinc/14/91/34/780149134.db2.gz YOCRXCNBNNVPNW-CJNGLKHVSA-N 1 1 326.400 0.740 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]21 ZINC001042388615 780191622 /nfs/dbraw/zinc/19/16/22/780191622.db2.gz SDCMZZRQFGCQBU-CJNGLKHVSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]21 ZINC001042388346 780192019 /nfs/dbraw/zinc/19/20/19/780192019.db2.gz NTUHHGPKEJSUBC-BBRMVZONSA-N 1 1 326.400 0.740 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042425752 780241811 /nfs/dbraw/zinc/24/18/11/780241811.db2.gz AKIBSEHTIZAJIB-YUELXQCFSA-N 1 1 328.420 0.773 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001042751226 780744283 /nfs/dbraw/zinc/74/42/83/780744283.db2.gz VWOMWJSSHBPRIR-BBWFWOEESA-N 1 1 348.491 0.646 20 30 ECEDMO CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001042776649 780796703 /nfs/dbraw/zinc/79/67/03/780796703.db2.gz QXHADZQTWUJPRH-MGPQQGTHSA-N 1 1 349.460 0.737 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001042777066 780797687 /nfs/dbraw/zinc/79/76/87/780797687.db2.gz XOLJGNLMZDIXSR-RBSFLKMASA-N 1 1 329.404 0.367 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N(Cc2ccccc2)[C@@H]2CN(CC#N)C[C@H]2O)C1 ZINC001079146768 780814181 /nfs/dbraw/zinc/81/41/81/780814181.db2.gz GBVLZEYUYFQCGI-RCCFBDPRSA-N 1 1 342.443 0.536 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[NH+](CCCCCNC(C)=O)CC2)nn1 ZINC001079154247 780826017 /nfs/dbraw/zinc/82/60/17/780826017.db2.gz UFXBXRMGEUNQBE-UHFFFAOYSA-N 1 1 348.451 0.528 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001042802950 780849896 /nfs/dbraw/zinc/84/98/96/780849896.db2.gz PPQUSHRLXAXAKJ-HOTGVXAUSA-N 1 1 347.459 0.496 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001042834681 780912207 /nfs/dbraw/zinc/91/22/07/780912207.db2.gz WDAARWYEAGPDIQ-GDBMZVCRSA-N 1 1 340.387 0.478 20 30 ECEDMO CN(c1cnc(C#N)cn1)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001068664145 790836852 /nfs/dbraw/zinc/83/68/52/790836852.db2.gz VOAIIUDYMIDWOJ-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1cnc(C#N)cn1)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001068664145 790836866 /nfs/dbraw/zinc/83/68/66/790836866.db2.gz VOAIIUDYMIDWOJ-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001042849981 780941726 /nfs/dbraw/zinc/94/17/26/780941726.db2.gz ZQRVMKFKSBBYSY-IRXDYDNUSA-N 1 1 348.491 0.790 20 30 ECEDMO C#CCC[NH+]1CCC2(CN(C(=O)Cc3ncn[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079269397 780945217 /nfs/dbraw/zinc/94/52/17/780945217.db2.gz WGQHJJTYCGRCDD-LSDHHAIUSA-N 1 1 343.431 0.310 20 30 ECEDMO CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042948869 781085297 /nfs/dbraw/zinc/08/52/97/781085297.db2.gz NRKQZBLZWQIVHP-QLFBSQMISA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nc(C3CC3)no2)C1 ZINC001042959741 781100957 /nfs/dbraw/zinc/10/09/57/781100957.db2.gz AWVVQLWUHIPHQQ-HNNXBMFYSA-N 1 1 343.431 0.687 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nc(C3CC3)no2)C1 ZINC001042959741 781100959 /nfs/dbraw/zinc/10/09/59/781100959.db2.gz AWVVQLWUHIPHQQ-HNNXBMFYSA-N 1 1 343.431 0.687 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cc(C)ncn2)C1 ZINC001042959740 781101170 /nfs/dbraw/zinc/10/11/70/781101170.db2.gz AUBJCUVRGDJXEB-KRWDZBQOSA-N 1 1 327.432 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cc(C)ncn2)C1 ZINC001042959740 781101174 /nfs/dbraw/zinc/10/11/74/781101174.db2.gz AUBJCUVRGDJXEB-KRWDZBQOSA-N 1 1 327.432 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nccn2CC)C1 ZINC001042960369 781102429 /nfs/dbraw/zinc/10/24/29/781102429.db2.gz NZLDEBWGKBSRFS-INIZCTEOSA-N 1 1 329.448 0.643 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nccn2CC)C1 ZINC001042960369 781102434 /nfs/dbraw/zinc/10/24/34/781102434.db2.gz NZLDEBWGKBSRFS-INIZCTEOSA-N 1 1 329.448 0.643 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccc(F)cn2)C1 ZINC001042960790 781103395 /nfs/dbraw/zinc/10/33/95/781103395.db2.gz VHAJTSZRJVRNAA-KRWDZBQOSA-N 1 1 330.407 0.961 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccc(F)cn2)C1 ZINC001042960790 781103400 /nfs/dbraw/zinc/10/34/00/781103400.db2.gz VHAJTSZRJVRNAA-KRWDZBQOSA-N 1 1 330.407 0.961 20 30 ECEDMO O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001042963719 781106849 /nfs/dbraw/zinc/10/68/49/781106849.db2.gz SWOIZQLZQTXBEQ-JKSUJKDBSA-N 1 1 345.443 0.106 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493376 781180581 /nfs/dbraw/zinc/18/05/81/781180581.db2.gz MMNJOTODHHIPQP-HFBAOOFYSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493376 781180586 /nfs/dbraw/zinc/18/05/86/781180586.db2.gz MMNJOTODHHIPQP-HFBAOOFYSA-N 1 1 344.390 0.912 20 30 ECEDMO CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001043016218 781185643 /nfs/dbraw/zinc/18/56/43/781185643.db2.gz KICSGMZUCIVOSN-MGPQQGTHSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001079497609 781187654 /nfs/dbraw/zinc/18/76/54/781187654.db2.gz MBLOHDYWFXYTLT-KCPJHIHWSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001079497609 781187661 /nfs/dbraw/zinc/18/76/61/781187661.db2.gz MBLOHDYWFXYTLT-KCPJHIHWSA-N 1 1 331.420 0.555 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043043210 781233869 /nfs/dbraw/zinc/23/38/69/781233869.db2.gz DRZNONPBYFRAPF-INIZCTEOSA-N 1 1 349.475 0.742 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ocnc3C)C2)C1=O ZINC001079535335 781236377 /nfs/dbraw/zinc/23/63/77/781236377.db2.gz OOYHNUBXMWBQFL-BNOWGMLFSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ocnc3C)C2)C1=O ZINC001079535335 781236380 /nfs/dbraw/zinc/23/63/80/781236380.db2.gz OOYHNUBXMWBQFL-BNOWGMLFSA-N 1 1 332.404 0.820 20 30 ECEDMO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079539281 781240470 /nfs/dbraw/zinc/24/04/70/781240470.db2.gz CPFFRCNYSBZIOP-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079539281 781240476 /nfs/dbraw/zinc/24/04/76/781240476.db2.gz CPFFRCNYSBZIOP-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043059873 781256363 /nfs/dbraw/zinc/25/63/63/781256363.db2.gz NAZNESRPHQPDNR-LSDHHAIUSA-N 1 1 349.475 0.763 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001043061468 781259273 /nfs/dbraw/zinc/25/92/73/781259273.db2.gz FYEUPMNJOIINAU-SFHVURJKSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043061917 781259359 /nfs/dbraw/zinc/25/93/59/781259359.db2.gz PTBUEMYMRSPCPY-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079581039 781285618 /nfs/dbraw/zinc/28/56/18/781285618.db2.gz BPNRUESJENNEPG-JRPNMDOOSA-N 1 1 329.404 0.604 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079581039 781285624 /nfs/dbraw/zinc/28/56/24/781285624.db2.gz BPNRUESJENNEPG-JRPNMDOOSA-N 1 1 329.404 0.604 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079589478 781291054 /nfs/dbraw/zinc/29/10/54/781291054.db2.gz HCVCDVQUHLWPGE-XJKCOSOUSA-N 1 1 343.431 0.853 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589977 781292673 /nfs/dbraw/zinc/29/26/73/781292673.db2.gz UBSSHZUYXCIEQG-IEBWSBKVSA-N 1 1 341.455 0.807 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589977 781292679 /nfs/dbraw/zinc/29/26/79/781292679.db2.gz UBSSHZUYXCIEQG-IEBWSBKVSA-N 1 1 341.455 0.807 20 30 ECEDMO C[C@@H](CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)NC(=O)C#CC1CC1 ZINC001077625437 781374117 /nfs/dbraw/zinc/37/41/17/781374117.db2.gz GRPJMSGURWFOPV-NOFHKNGASA-N 1 1 345.443 0.274 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC001041380151 781396491 /nfs/dbraw/zinc/39/64/91/781396491.db2.gz WOJFSYJJCAWBLD-GOSISDBHSA-N 1 1 328.416 0.975 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)c1 ZINC001077649844 781424037 /nfs/dbraw/zinc/42/40/37/781424037.db2.gz HTYDKEXNUJUSOA-GVDBMIGSSA-N 1 1 343.427 0.653 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(C#N)cc3F)C[C@H]2O)CC[N@H+]1C ZINC001041396997 781431182 /nfs/dbraw/zinc/43/11/82/781431182.db2.gz OUAGTIXGWRTIDX-PZTHBURQSA-N 1 1 347.394 0.098 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC001041406043 781446586 /nfs/dbraw/zinc/44/65/86/781446586.db2.gz IDKWREWYSVOKTF-SFHVURJKSA-N 1 1 326.400 0.281 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C2)C1 ZINC001041409345 781450679 /nfs/dbraw/zinc/45/06/79/781450679.db2.gz PWQJJWOIAWMSOL-MRXNPFEDSA-N 1 1 338.473 0.922 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001041423483 781476407 /nfs/dbraw/zinc/47/64/07/781476407.db2.gz UEOPAOWVJGTCLU-OAHLLOKOSA-N 1 1 339.827 0.259 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001041423483 781476411 /nfs/dbraw/zinc/47/64/11/781476411.db2.gz UEOPAOWVJGTCLU-OAHLLOKOSA-N 1 1 339.827 0.259 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077679412 781494033 /nfs/dbraw/zinc/49/40/33/781494033.db2.gz QSDDDWKSLKPBPX-ZTFGCOKTSA-N 1 1 342.443 0.561 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3nnc(-c4ccco4)n3)C2)C1 ZINC001041431093 781495087 /nfs/dbraw/zinc/49/50/87/781495087.db2.gz IIFYCAQUDSUSBW-KRWDZBQOSA-N 1 1 340.387 0.491 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC001041445901 781532858 /nfs/dbraw/zinc/53/28/58/781532858.db2.gz PRTHUQIQUAQQES-SFHVURJKSA-N 1 1 328.416 0.685 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001077699218 781540000 /nfs/dbraw/zinc/54/00/00/781540000.db2.gz YGHPNGRREBPSIT-VQHPVUNQSA-N 1 1 348.447 0.252 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001077699218 781540004 /nfs/dbraw/zinc/54/00/04/781540004.db2.gz YGHPNGRREBPSIT-VQHPVUNQSA-N 1 1 348.447 0.252 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC001041476942 781591505 /nfs/dbraw/zinc/59/15/05/781591505.db2.gz VHUUDEXEMUOFCV-SFHVURJKSA-N 1 1 329.400 0.945 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3COCCN3CC(F)F)C2)C1 ZINC001041509988 781666727 /nfs/dbraw/zinc/66/67/27/781666727.db2.gz UEMXGXWZQKFUAW-WMLDXEAASA-N 1 1 341.402 0.510 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077821893 781759474 /nfs/dbraw/zinc/75/94/74/781759474.db2.gz MEBTYOLNBNPXPE-JJXSEGSLSA-N 1 1 334.420 0.026 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077821893 781759481 /nfs/dbraw/zinc/75/94/81/781759481.db2.gz MEBTYOLNBNPXPE-JJXSEGSLSA-N 1 1 334.420 0.026 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCCO1 ZINC001039907843 783256316 /nfs/dbraw/zinc/25/63/16/783256316.db2.gz KGJYAKPECQVNKP-HUUCEWRRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ncccc2C#N)CCCO1 ZINC001039908393 783259433 /nfs/dbraw/zinc/25/94/33/783259433.db2.gz YOOJYDDSVSLGRX-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(c3ccc(C#N)nc3)CCCO2)C1 ZINC001039915858 783278541 /nfs/dbraw/zinc/27/85/41/783278541.db2.gz WEZVVDVFMROIGM-RHSMWYFYSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039976758 783344194 /nfs/dbraw/zinc/34/41/94/783344194.db2.gz PEQXAXBFUSQEFN-GASCZTMLSA-N 1 1 329.400 0.765 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039976758 783344207 /nfs/dbraw/zinc/34/42/07/783344207.db2.gz PEQXAXBFUSQEFN-GASCZTMLSA-N 1 1 329.400 0.765 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001040762865 783385464 /nfs/dbraw/zinc/38/54/64/783385464.db2.gz FCTMDYATDLPSNW-DZGCQCFKSA-N 1 1 337.387 0.591 20 30 ECEDMO CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001040765192 783389511 /nfs/dbraw/zinc/38/95/11/783389511.db2.gz HHOLLPIDPWMOTH-OAHLLOKOSA-N 1 1 338.473 0.759 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040813397 783489479 /nfs/dbraw/zinc/48/94/79/783489479.db2.gz QDTIHFYUVMYCOQ-ROUUACIJSA-N 1 1 348.447 0.873 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070192827 783626665 /nfs/dbraw/zinc/62/66/65/783626665.db2.gz RMNGFQOMYMOBDJ-CABCVRRESA-N 1 1 342.428 0.690 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001038136663 783903851 /nfs/dbraw/zinc/90/38/51/783903851.db2.gz GCTWQNZNIVHYPB-AWEZNQCLSA-N 1 1 327.392 0.599 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001038136663 783903858 /nfs/dbraw/zinc/90/38/58/783903858.db2.gz GCTWQNZNIVHYPB-AWEZNQCLSA-N 1 1 327.392 0.599 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)c(F)c2)C1 ZINC001038138236 783907281 /nfs/dbraw/zinc/90/72/81/783907281.db2.gz UPESNXBFUGSBDV-WBVHZDCISA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)c(F)c2)C1 ZINC001038138236 783907286 /nfs/dbraw/zinc/90/72/86/783907286.db2.gz UPESNXBFUGSBDV-WBVHZDCISA-N 1 1 346.406 0.718 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCNC(=O)C2)c1 ZINC001038160654 783931347 /nfs/dbraw/zinc/93/13/47/783931347.db2.gz GXCNHQMITUATIB-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCNC(=O)C2)c1 ZINC001038160654 783931356 /nfs/dbraw/zinc/93/13/56/783931356.db2.gz GXCNHQMITUATIB-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCNC(=O)C2)c1 ZINC001038160650 783931842 /nfs/dbraw/zinc/93/18/42/783931842.db2.gz GXCNHQMITUATIB-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCNC(=O)C2)c1 ZINC001038160650 783931848 /nfs/dbraw/zinc/93/18/48/783931848.db2.gz GXCNHQMITUATIB-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2nnc[nH]2)C1 ZINC001070387398 783934663 /nfs/dbraw/zinc/93/46/63/783934663.db2.gz NTTHZKZIGLFLJH-ZDUSSCGKSA-N 1 1 328.376 0.769 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ncn[nH]2)C1 ZINC001070387398 783934671 /nfs/dbraw/zinc/93/46/71/783934671.db2.gz NTTHZKZIGLFLJH-ZDUSSCGKSA-N 1 1 328.376 0.769 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ncn[nH]2)C1 ZINC001070387398 783934676 /nfs/dbraw/zinc/93/46/76/783934676.db2.gz NTTHZKZIGLFLJH-ZDUSSCGKSA-N 1 1 328.376 0.769 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C(N)=O)cc2)[nH]1 ZINC001038171383 783947669 /nfs/dbraw/zinc/94/76/69/783947669.db2.gz XJVRHLKCUHMAHP-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C(N)=O)cc2)[nH]1 ZINC001038171383 783947675 /nfs/dbraw/zinc/94/76/75/783947675.db2.gz XJVRHLKCUHMAHP-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2)C1 ZINC001070396551 783960265 /nfs/dbraw/zinc/96/02/65/783960265.db2.gz SRSKUMVUYZSFJU-CYBMUJFWSA-N 1 1 326.404 0.886 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCO2)C1 ZINC001070398287 783963723 /nfs/dbraw/zinc/96/37/23/783963723.db2.gz QCJSZIXYYZMCAY-ZFWWWQNUSA-N 1 1 332.404 0.254 20 30 ECEDMO N#Cc1ccc(C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCCO)C2)[nH]1 ZINC001070404693 783982812 /nfs/dbraw/zinc/98/28/12/783982812.db2.gz LZZJXBKMOZPAPD-LBPRGKRZSA-N 1 1 342.403 0.711 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2C)C1 ZINC001070405020 783983312 /nfs/dbraw/zinc/98/33/12/783983312.db2.gz WUMIRYOSJXYEPW-DZGCQCFKSA-N 1 1 333.436 0.332 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001070406569 783988293 /nfs/dbraw/zinc/98/82/93/783988293.db2.gz YICAAOYKSMRDEA-NSHDSACASA-N 1 1 329.360 0.054 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(CC)n2)C1 ZINC001070408410 783992727 /nfs/dbraw/zinc/99/27/27/783992727.db2.gz QVCTYDSHGUCGBK-LBPRGKRZSA-N 1 1 329.408 0.926 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001070408087 783992976 /nfs/dbraw/zinc/99/29/76/783992976.db2.gz MHXWNWBFDRUYFL-DGCLKSJQSA-N 1 1 333.392 0.500 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnnn2CC)C1 ZINC001070409733 783997844 /nfs/dbraw/zinc/99/78/44/783997844.db2.gz KYRCXPLMDRJAJP-CYBMUJFWSA-N 1 1 341.419 0.764 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)ccc2=O)C1 ZINC001070415758 784017411 /nfs/dbraw/zinc/01/74/11/784017411.db2.gz BWGKVGLWLPXRIA-CYBMUJFWSA-N 1 1 339.399 0.461 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)ccc2=O)C1 ZINC001070415758 784017416 /nfs/dbraw/zinc/01/74/16/784017416.db2.gz BWGKVGLWLPXRIA-CYBMUJFWSA-N 1 1 339.399 0.461 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ncc(OC)cn2)C1 ZINC001070416832 784019539 /nfs/dbraw/zinc/01/95/39/784019539.db2.gz OZOWADDZWKNEFP-GFCCVEGCSA-N 1 1 340.387 0.561 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC2=O)C1 ZINC001070420307 784028845 /nfs/dbraw/zinc/02/88/45/784028845.db2.gz VTJXCVMDAGTGHU-ZFWWWQNUSA-N 1 1 345.447 0.918 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001070422881 784035202 /nfs/dbraw/zinc/03/52/02/784035202.db2.gz KUXRJJLHYPKWQL-DGCLKSJQSA-N 1 1 332.408 0.073 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001070434010 784061874 /nfs/dbraw/zinc/06/18/74/784061874.db2.gz KKYSNMSDAPPKIW-NSHDSACASA-N 1 1 342.403 0.742 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)OC)C[C@H]2c1nnc(C)[nH]1 ZINC001070442169 784084093 /nfs/dbraw/zinc/08/40/93/784084093.db2.gz DEFHWDRIQHVTOO-KBPBESRZSA-N 1 1 333.436 0.952 20 30 ECEDMO Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cn(C)cn1 ZINC001070476230 784157981 /nfs/dbraw/zinc/15/79/81/784157981.db2.gz CVMFCIBDWJWBGK-PVXIVEMSSA-N 1 1 342.403 0.960 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCn2ccnn2)CC1 ZINC001070958646 784228797 /nfs/dbraw/zinc/22/87/97/784228797.db2.gz LOLFXPBESGUFKV-UHFFFAOYSA-N 1 1 348.451 0.285 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001070963469 784243915 /nfs/dbraw/zinc/24/39/15/784243915.db2.gz SFCGXLBWHGSAJU-MRXNPFEDSA-N 1 1 334.464 0.143 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001070963296 784243979 /nfs/dbraw/zinc/24/39/79/784243979.db2.gz KMIGDTLYZJIQNC-SJORKVTESA-N 1 1 348.491 0.697 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001070975631 784289537 /nfs/dbraw/zinc/28/95/37/784289537.db2.gz VVVVWYJPVORDDF-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(=O)n(C)c2)CC1 ZINC001070976473 784292106 /nfs/dbraw/zinc/29/21/06/784292106.db2.gz DNYLCIIOZQRIHN-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(=O)n(C)c2)CC1 ZINC001070976473 784292111 /nfs/dbraw/zinc/29/21/11/784292111.db2.gz DNYLCIIOZQRIHN-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)COc2cnn(C)c2)CC1 ZINC001070992281 784344805 /nfs/dbraw/zinc/34/48/05/784344805.db2.gz BJRXHHZZWIZBIF-UHFFFAOYSA-N 1 1 349.435 0.026 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC001070996480 784357954 /nfs/dbraw/zinc/35/79/54/784357954.db2.gz UEHDDWFDDATHJW-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001071000236 784370536 /nfs/dbraw/zinc/37/05/36/784370536.db2.gz UTGFEPKGVUNZNV-UHFFFAOYSA-N 1 1 348.491 0.392 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001071007708 784393020 /nfs/dbraw/zinc/39/30/20/784393020.db2.gz UZPGEISIOIXWGN-UHFFFAOYSA-N 1 1 347.463 0.959 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001071007540 784393145 /nfs/dbraw/zinc/39/31/45/784393145.db2.gz PZWJMACOYIKZGF-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cccn2)n1 ZINC001070595730 784404995 /nfs/dbraw/zinc/40/49/95/784404995.db2.gz JXGQDRKZNKSGHT-GJZGRUSLSA-N 1 1 344.419 0.994 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnco2)n1 ZINC001070598328 784410282 /nfs/dbraw/zinc/41/02/82/784410282.db2.gz ZGZRQTOKDFVEDT-STQMWFEESA-N 1 1 329.360 0.846 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnon2)n1 ZINC001070599115 784412552 /nfs/dbraw/zinc/41/25/52/784412552.db2.gz IPQURGQZDARIMI-RYUDHWBXSA-N 1 1 332.364 0.794 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001071017226 784428504 /nfs/dbraw/zinc/42/85/04/784428504.db2.gz MGPYFHWIWUXSOZ-UHFFFAOYSA-N 1 1 333.436 0.487 20 30 ECEDMO C=C(C)CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071020872 784440929 /nfs/dbraw/zinc/44/09/29/784440929.db2.gz ZGRHOTBSQFQLAD-INIZCTEOSA-N 1 1 336.480 0.555 20 30 ECEDMO C=C(C)CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001071020872 784440936 /nfs/dbraw/zinc/44/09/36/784440936.db2.gz ZGRHOTBSQFQLAD-INIZCTEOSA-N 1 1 336.480 0.555 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001071023267 784449348 /nfs/dbraw/zinc/44/93/48/784449348.db2.gz XMQFWTNBKVEMGC-OAHLLOKOSA-N 1 1 335.452 0.035 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 ZINC001071144170 784597102 /nfs/dbraw/zinc/59/71/02/784597102.db2.gz IMCSRRBBDAILFY-HIFRSBDPSA-N 1 1 330.450 0.299 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)C[C@@H](C)O2 ZINC001071156551 784620743 /nfs/dbraw/zinc/62/07/43/784620743.db2.gz JMJPEJOBAGKCMK-AEFFLSMTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@H](C)O2 ZINC001071166850 784642154 /nfs/dbraw/zinc/64/21/54/784642154.db2.gz OUNSGDWHYRXQIQ-SUMWQHHRSA-N 1 1 333.436 0.924 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001070757915 784658247 /nfs/dbraw/zinc/65/82/47/784658247.db2.gz HIJZZMQPERZMLU-CYBMUJFWSA-N 1 1 335.433 0.556 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)C[C@H](C)O2 ZINC001071174284 784661114 /nfs/dbraw/zinc/66/11/14/784661114.db2.gz VYPVZNWWVXUAAC-SJCJKPOMSA-N 1 1 342.403 0.844 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nccn1)C[C@H](C)O2 ZINC001071174333 784661830 /nfs/dbraw/zinc/66/18/30/784661830.db2.gz WRCMLEUWJIWCIA-RDJZCZTQSA-N 1 1 333.436 0.936 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc3ccnn31)C[C@@H](C)O2 ZINC001071175469 784663674 /nfs/dbraw/zinc/66/36/74/784663674.db2.gz FCYHGOHLBSQLEF-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(C)nc1C)C[C@@H](C)O2 ZINC001071177495 784669442 /nfs/dbraw/zinc/66/94/42/784669442.db2.gz AXUUKYCMUXDQDD-DNVCBOLYSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nc(CC)c[nH]1)C[C@@H](C)O2 ZINC001071177845 784669714 /nfs/dbraw/zinc/66/97/14/784669714.db2.gz GYYJQJCJTVBOTQ-RDTXWAMCSA-N 1 1 330.432 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nc(CC)c[nH]1)C[C@H](C)O2 ZINC001071177842 784670001 /nfs/dbraw/zinc/67/00/01/784670001.db2.gz GYYJQJCJTVBOTQ-KBXCAEBGSA-N 1 1 330.432 0.840 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@H](C)O2 ZINC001071178992 784674354 /nfs/dbraw/zinc/67/43/54/784674354.db2.gz YYANXFVVMIUOCX-GUYCJALGSA-N 1 1 332.404 0.272 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C[C@@H](C)O2 ZINC001071182925 784682797 /nfs/dbraw/zinc/68/27/97/784682797.db2.gz GMCCYQAOQISEJH-FZKQIMNGSA-N 1 1 328.416 0.837 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C[C@@H](C)O2 ZINC001071182925 784682801 /nfs/dbraw/zinc/68/28/01/784682801.db2.gz GMCCYQAOQISEJH-FZKQIMNGSA-N 1 1 328.416 0.837 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@@H](C)O2 ZINC001071183561 784684175 /nfs/dbraw/zinc/68/41/75/784684175.db2.gz QBIBHGCJBSSNSR-DNVCBOLYSA-N 1 1 343.427 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@H](C)O2 ZINC001071188753 784692662 /nfs/dbraw/zinc/69/26/62/784692662.db2.gz AQEIWFNTFKEAKR-GUYCJALGSA-N 1 1 334.420 0.920 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cc(C)nn1C)C[C@@H](C)O2 ZINC001071189778 784695439 /nfs/dbraw/zinc/69/54/39/784695439.db2.gz PGTIFKZNXJSMBZ-VQIMIIECSA-N 1 1 344.459 0.986 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@H](C)O2 ZINC001071190089 784696466 /nfs/dbraw/zinc/69/64/66/784696466.db2.gz UCNXPEQCXJNMFQ-GUYCJALGSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@H](C)O2 ZINC001071191304 784701824 /nfs/dbraw/zinc/70/18/24/784701824.db2.gz DWGMAOSGLWXEKK-YVEFUNNKSA-N 1 1 333.388 0.870 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@H](C)O2 ZINC001071209205 784740390 /nfs/dbraw/zinc/74/03/90/784740390.db2.gz GTURCYKBVJSLSU-MAUKXSAKSA-N 1 1 345.447 0.463 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccc(C)n1)C[C@@H](C)O2 ZINC001071211879 784747454 /nfs/dbraw/zinc/74/74/54/784747454.db2.gz PKSYRLQLWYURHT-AEFFLSMTSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@H+](CCOC)C3)C2)nn1 ZINC001071215496 784754426 /nfs/dbraw/zinc/75/44/26/784754426.db2.gz CKRDTDYEQMUNBS-WMLDXEAASA-N 1 1 349.435 0.416 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@@H](C)O2 ZINC001071219836 784766130 /nfs/dbraw/zinc/76/61/30/784766130.db2.gz YVEOKMQDJDEPJQ-AEFFLSMTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)C[C@H](C)O2 ZINC001071219934 784766911 /nfs/dbraw/zinc/76/69/11/784766911.db2.gz AJFMIQWPTSBYAA-GUYCJALGSA-N 1 1 342.403 0.616 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1ncccn1)C[C@H](C)O2 ZINC001071220139 784768327 /nfs/dbraw/zinc/76/83/27/784768327.db2.gz DKEGNQDRSGZOPO-YJBOKZPZSA-N 1 1 328.416 0.734 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(CC)n1)C[C@@H](C)O2 ZINC001071220313 784769476 /nfs/dbraw/zinc/76/94/76/784769476.db2.gz FJSWAPMPNBYOAU-KDOFPFPSSA-N 1 1 346.431 0.755 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@@H](C)O2 ZINC001071227931 784787053 /nfs/dbraw/zinc/78/70/53/784787053.db2.gz MKBWTRGIOHUFHQ-DYVFJYSZSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@@H](C)O2 ZINC001071227931 784787059 /nfs/dbraw/zinc/78/70/59/784787059.db2.gz MKBWTRGIOHUFHQ-DYVFJYSZSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001070889974 784796018 /nfs/dbraw/zinc/79/60/18/784796018.db2.gz OXEJBKKGCUIRFV-OAHLLOKOSA-N 1 1 335.448 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cnc1C)C[C@H](C)O2 ZINC001071234148 784798573 /nfs/dbraw/zinc/79/85/73/784798573.db2.gz UMQMDXQCCIRHJE-KBXCAEBGSA-N 1 1 330.432 0.976 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@@H](C)O2 ZINC001071240289 784811916 /nfs/dbraw/zinc/81/19/16/784811916.db2.gz COIINZGKIYMSGR-ACJLOTCBSA-N 1 1 344.415 0.442 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@H](C)O2 ZINC001071243534 784820316 /nfs/dbraw/zinc/82/03/16/784820316.db2.gz HSRLCVCAVXRSSM-KBXCAEBGSA-N 1 1 348.447 0.605 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@H](C)O2 ZINC001071243536 784820549 /nfs/dbraw/zinc/82/05/49/784820549.db2.gz HSRLCVCAVXRSSM-KSSFIOAISA-N 1 1 348.447 0.605 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@@H](C)O2 ZINC001071248605 784831722 /nfs/dbraw/zinc/83/17/22/784831722.db2.gz OIKJPXPVLVDRFS-RDTXWAMCSA-N 1 1 345.447 0.935 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@@H](C)O2 ZINC001071248603 784832417 /nfs/dbraw/zinc/83/24/17/784832417.db2.gz OIKJPXPVLVDRFS-KDOFPFPSSA-N 1 1 345.447 0.935 20 30 ECEDMO C=CCCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258266 784861644 /nfs/dbraw/zinc/86/16/44/784861644.db2.gz BTBGVWOFDFIGJB-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)Cc3ccon3)C2)C(=O)C1 ZINC001071258547 784864937 /nfs/dbraw/zinc/86/49/37/784864937.db2.gz JZFVUEBFZNUJFQ-INIZCTEOSA-N 1 1 346.431 0.928 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)Cc3ccon3)C2)C(=O)C1 ZINC001071258547 784864946 /nfs/dbraw/zinc/86/49/46/784864946.db2.gz JZFVUEBFZNUJFQ-INIZCTEOSA-N 1 1 346.431 0.928 20 30 ECEDMO C#CCCN1CCN([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258969 784866202 /nfs/dbraw/zinc/86/62/02/784866202.db2.gz VKRAYVAICZRYEQ-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H](N2CC[N@H+](CC3CC3)CC2=O)C1 ZINC001071264097 784882574 /nfs/dbraw/zinc/88/25/74/784882574.db2.gz NKIRZUZLSKRUDC-KRWDZBQOSA-N 1 1 329.444 0.945 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H](N2CC[N@@H+](CC3CC3)CC2=O)C1 ZINC001071264097 784882578 /nfs/dbraw/zinc/88/25/78/784882578.db2.gz NKIRZUZLSKRUDC-KRWDZBQOSA-N 1 1 329.444 0.945 20 30 ECEDMO C=C(C)CN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277556 784924818 /nfs/dbraw/zinc/92/48/18/784924818.db2.gz YKVHLVVBLKMZTM-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001071344181 784984550 /nfs/dbraw/zinc/98/45/50/784984550.db2.gz VYAAQCASNMYTIT-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001068751918 791071935 /nfs/dbraw/zinc/07/19/35/791071935.db2.gz FCGJQIFESLQIPK-CQSZACIVSA-N 1 1 332.404 0.644 20 30 ECEDMO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001068757173 791078932 /nfs/dbraw/zinc/07/89/32/791078932.db2.gz OGRPZXPUFZPFEG-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCn3cncn3)C2)c1 ZINC001071813945 785145595 /nfs/dbraw/zinc/14/55/95/785145595.db2.gz FZAIGTPEMWKLMI-WMLDXEAASA-N 1 1 338.415 0.937 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCn3cccn3)C2)nn1 ZINC001071884127 785270282 /nfs/dbraw/zinc/27/02/82/785270282.db2.gz YEEHICAWZAVTNL-CABCVRRESA-N 1 1 343.435 0.944 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2sccc2-n2cnnn2)CC[C@H]1C ZINC001071645958 785441766 /nfs/dbraw/zinc/44/17/66/785441766.db2.gz PJVRBRCJJRPBPP-VXGBXAGGSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2sccc2-n2cnnn2)CC[C@H]1C ZINC001071645958 785441770 /nfs/dbraw/zinc/44/17/70/785441770.db2.gz PJVRBRCJJRPBPP-VXGBXAGGSA-N 1 1 330.417 0.940 20 30 ECEDMO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071658270 785463912 /nfs/dbraw/zinc/46/39/12/785463912.db2.gz MNKVETFXJPEOEI-TZMCWYRMSA-N 1 1 338.477 0.691 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C ZINC001071685342 785519347 /nfs/dbraw/zinc/51/93/47/785519347.db2.gz ACHFQJJBMVACOB-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@@H]1C ZINC001071700962 785554828 /nfs/dbraw/zinc/55/48/28/785554828.db2.gz AETBESJCHHLICX-KBPBESRZSA-N 1 1 339.403 0.663 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001072282934 785968748 /nfs/dbraw/zinc/96/87/48/785968748.db2.gz LUZTVAUMMCSZDN-IUODEOHRSA-N 1 1 331.420 0.803 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)nc1 ZINC001072285856 785976159 /nfs/dbraw/zinc/97/61/59/785976159.db2.gz BOBUZVFOMORZRM-YOEHRIQHSA-N 1 1 342.443 0.980 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1NC(=O)C#CC(C)(C)C ZINC001072389601 786121421 /nfs/dbraw/zinc/12/14/21/786121421.db2.gz FMOIDQFOTJCMRF-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCCCCC(=O)N[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001072390808 786123850 /nfs/dbraw/zinc/12/38/50/786123850.db2.gz UQUHNIFTPXDGAA-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](C)C2)nc1 ZINC001072464962 786222739 /nfs/dbraw/zinc/22/27/39/786222739.db2.gz PBRYOKQWIMTBMG-YOEHRIQHSA-N 1 1 342.443 0.980 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001072476075 786239563 /nfs/dbraw/zinc/23/95/63/786239563.db2.gz LCFUUSYSNCQNPV-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C)c1 ZINC001072480655 786252314 /nfs/dbraw/zinc/25/23/14/786252314.db2.gz HRCMCSLTZSSRIR-PBHICJAKSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001072481273 786254037 /nfs/dbraw/zinc/25/40/37/786254037.db2.gz OAIKABPSHGHVCD-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C2 ZINC001072544732 786348793 /nfs/dbraw/zinc/34/87/93/786348793.db2.gz VVMLMVCZTWZSRS-GFCCVEGCSA-N 1 1 347.419 0.011 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3N)C[C@@H]21 ZINC001074223178 786461312 /nfs/dbraw/zinc/46/13/12/786461312.db2.gz VETFEQKMDAOJPK-LSDHHAIUSA-N 1 1 333.436 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3N)C[C@@H]21 ZINC001074223178 786461315 /nfs/dbraw/zinc/46/13/15/786461315.db2.gz VETFEQKMDAOJPK-LSDHHAIUSA-N 1 1 333.436 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 ZINC001074224917 786463135 /nfs/dbraw/zinc/46/31/35/786463135.db2.gz AJMHBARHWNLFPU-IRXDYDNUSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 ZINC001074224917 786463142 /nfs/dbraw/zinc/46/31/42/786463142.db2.gz AJMHBARHWNLFPU-IRXDYDNUSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001074292317 786609499 /nfs/dbraw/zinc/60/94/99/786609499.db2.gz SWANWZWPBGTUBJ-GJZGRUSLSA-N 1 1 349.431 0.403 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001074292317 786609505 /nfs/dbraw/zinc/60/95/05/786609505.db2.gz SWANWZWPBGTUBJ-GJZGRUSLSA-N 1 1 349.431 0.403 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@H]21 ZINC001074317529 786662352 /nfs/dbraw/zinc/66/23/52/786662352.db2.gz RCZBGKSQISFBJW-ZIAGYGMSSA-N 1 1 332.404 0.982 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@H]21 ZINC001074317529 786662356 /nfs/dbraw/zinc/66/23/56/786662356.db2.gz RCZBGKSQISFBJW-ZIAGYGMSSA-N 1 1 332.404 0.982 20 30 ECEDMO Cn1cncc1C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073581054 786675704 /nfs/dbraw/zinc/67/57/04/786675704.db2.gz ROEWBOAZXRQGID-OAHLLOKOSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1cncc1C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073581054 786675710 /nfs/dbraw/zinc/67/57/10/786675710.db2.gz ROEWBOAZXRQGID-OAHLLOKOSA-N 1 1 342.403 0.641 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001073616264 786775980 /nfs/dbraw/zinc/77/59/80/786775980.db2.gz SRPIEFMVCIRFOF-ZDUSSCGKSA-N 1 1 343.387 0.529 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001073616264 786775989 /nfs/dbraw/zinc/77/59/89/786775989.db2.gz SRPIEFMVCIRFOF-ZDUSSCGKSA-N 1 1 343.387 0.529 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073630439 786814833 /nfs/dbraw/zinc/81/48/33/786814833.db2.gz VNDINTVBMRCSKR-HUUCEWRRSA-N 1 1 344.477 0.737 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073630439 786814844 /nfs/dbraw/zinc/81/48/44/786814844.db2.gz VNDINTVBMRCSKR-HUUCEWRRSA-N 1 1 344.477 0.737 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 ZINC001074384667 786819327 /nfs/dbraw/zinc/81/93/27/786819327.db2.gz KAZPDNSYORVUBH-HOTGVXAUSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 ZINC001074384667 786819336 /nfs/dbraw/zinc/81/93/36/786819336.db2.gz KAZPDNSYORVUBH-HOTGVXAUSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]21 ZINC001074387967 786825136 /nfs/dbraw/zinc/82/51/36/786825136.db2.gz SSQDQEHLKHEYDP-HOTGVXAUSA-N 1 1 346.431 0.430 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]21 ZINC001074387967 786825142 /nfs/dbraw/zinc/82/51/42/786825142.db2.gz SSQDQEHLKHEYDP-HOTGVXAUSA-N 1 1 346.431 0.430 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001073633974 786826893 /nfs/dbraw/zinc/82/68/93/786826893.db2.gz KLWLHNGPBLXTNV-ZDUSSCGKSA-N 1 1 348.447 0.991 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCF)CCCO1 ZINC001073639483 786844340 /nfs/dbraw/zinc/84/43/40/786844340.db2.gz HEYGKGROZDUZRE-CVEARBPZSA-N 1 1 325.428 0.651 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001073645430 786861297 /nfs/dbraw/zinc/86/12/97/786861297.db2.gz MYWIYDLAERCAFC-JKSUJKDBSA-N 1 1 343.431 0.286 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001073645430 786861302 /nfs/dbraw/zinc/86/13/02/786861302.db2.gz MYWIYDLAERCAFC-JKSUJKDBSA-N 1 1 343.431 0.286 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnn2CC(F)(F)F)C1 ZINC001073649273 786871484 /nfs/dbraw/zinc/87/14/84/786871484.db2.gz QXZLRJNPZBSKRZ-GFCCVEGCSA-N 1 1 344.337 0.899 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnn2CC(F)(F)F)C1 ZINC001073649273 786871493 /nfs/dbraw/zinc/87/14/93/786871493.db2.gz QXZLRJNPZBSKRZ-GFCCVEGCSA-N 1 1 344.337 0.899 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001073661089 786904443 /nfs/dbraw/zinc/90/44/43/786904443.db2.gz VWKSAQCRTANUHB-OAHLLOKOSA-N 1 1 341.415 0.812 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]21 ZINC001074417955 786921420 /nfs/dbraw/zinc/92/14/20/786921420.db2.gz XNDZHEPKSAXZRO-CVEARBPZSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]21 ZINC001074417955 786921425 /nfs/dbraw/zinc/92/14/25/786921425.db2.gz XNDZHEPKSAXZRO-CVEARBPZSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001073691077 786977678 /nfs/dbraw/zinc/97/76/78/786977678.db2.gz PMDDXVOLFLSLIX-NSHDSACASA-N 1 1 342.321 0.949 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001073691077 786977681 /nfs/dbraw/zinc/97/76/81/786977681.db2.gz PMDDXVOLFLSLIX-NSHDSACASA-N 1 1 342.321 0.949 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001073693533 786981681 /nfs/dbraw/zinc/98/16/81/786981681.db2.gz DUPAYCOVUQPULA-OAHLLOKOSA-N 1 1 344.419 0.911 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001073705923 787015619 /nfs/dbraw/zinc/01/56/19/787015619.db2.gz CEEFOPQOZKQZJP-ARFHVFGLSA-N 1 1 330.432 0.754 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001073740238 787093432 /nfs/dbraw/zinc/09/34/32/787093432.db2.gz COOFXNQZGJNSDA-WBVHZDCISA-N 1 1 344.459 0.755 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 ZINC001073742737 787100657 /nfs/dbraw/zinc/10/06/57/787100657.db2.gz DIPSKYBQKRYSEX-ZDUSSCGKSA-N 1 1 333.388 0.151 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)C2 ZINC001073764215 787156325 /nfs/dbraw/zinc/15/63/25/787156325.db2.gz DJAVJUYICOBVFR-GOEBONIOSA-N 1 1 331.420 0.485 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001073778720 787188818 /nfs/dbraw/zinc/18/88/18/787188818.db2.gz HOMZROKMCCXBIJ-GJZGRUSLSA-N 1 1 348.451 0.409 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001073779043 787188832 /nfs/dbraw/zinc/18/88/32/787188832.db2.gz OYVSXQCCAUYHIH-CABCVRRESA-N 1 1 348.451 0.409 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001073781775 787191414 /nfs/dbraw/zinc/19/14/14/787191414.db2.gz NRFSQMKNMFEDCP-CYBMUJFWSA-N 1 1 334.420 0.358 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001073781754 787191600 /nfs/dbraw/zinc/19/16/00/787191600.db2.gz NIYNWFVGKMIZIK-YESZJQIVSA-N 1 1 330.432 0.754 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)nn(C)c2OC)C1 ZINC001073796077 787218085 /nfs/dbraw/zinc/21/80/85/787218085.db2.gz JQNZOEJCCNMEIS-AWEZNQCLSA-N 1 1 334.420 0.581 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001073804774 787234392 /nfs/dbraw/zinc/23/43/92/787234392.db2.gz VIGFTDNJPFMBKU-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001073821231 787265938 /nfs/dbraw/zinc/26/59/38/787265938.db2.gz DCEFCKLERGDTHR-INIZCTEOSA-N 1 1 347.415 0.760 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001073821231 787265943 /nfs/dbraw/zinc/26/59/43/787265943.db2.gz DCEFCKLERGDTHR-INIZCTEOSA-N 1 1 347.415 0.760 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)[C@@H]1C ZINC001074566961 787276433 /nfs/dbraw/zinc/27/64/33/787276433.db2.gz GFBDWFFBWNOOIC-SCVCMEIPSA-N 1 1 343.391 0.308 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001073856594 787372974 /nfs/dbraw/zinc/37/29/74/787372974.db2.gz KDNCAYJFYCTHLD-KRWDZBQOSA-N 1 1 343.427 0.842 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001073856594 787372982 /nfs/dbraw/zinc/37/29/82/787372982.db2.gz KDNCAYJFYCTHLD-KRWDZBQOSA-N 1 1 343.427 0.842 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3ccc(C)nc23)C1 ZINC001073862116 787389205 /nfs/dbraw/zinc/38/92/05/787389205.db2.gz MQAYSBZVBPICLS-CQSZACIVSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3ccc(C)nc23)C1 ZINC001073862116 787389215 /nfs/dbraw/zinc/38/92/15/787389215.db2.gz MQAYSBZVBPICLS-CQSZACIVSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2c(OC)cc[nH]c2=O)C1 ZINC001073862824 787390833 /nfs/dbraw/zinc/39/08/33/787390833.db2.gz YOWORWQUTBIEEM-CYBMUJFWSA-N 1 1 333.388 0.640 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C(C)(C)C)CC1 ZINC001074627104 787441624 /nfs/dbraw/zinc/44/16/24/787441624.db2.gz IDZDYKCPAHKWMR-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C(C)(C)C)CC1 ZINC001074627104 787441627 /nfs/dbraw/zinc/44/16/27/787441627.db2.gz IDZDYKCPAHKWMR-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001073890751 787449420 /nfs/dbraw/zinc/44/94/20/787449420.db2.gz ICLMYIAVPQEUKF-JKSUJKDBSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001074634723 787463847 /nfs/dbraw/zinc/46/38/47/787463847.db2.gz KYPBAVVVAJEQKF-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001073896509 787466833 /nfs/dbraw/zinc/46/68/33/787466833.db2.gz UHGRVZFMQVLOJU-SFHVURJKSA-N 1 1 343.427 0.777 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001073896509 787466838 /nfs/dbraw/zinc/46/68/38/787466838.db2.gz UHGRVZFMQVLOJU-SFHVURJKSA-N 1 1 343.427 0.777 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccccc2-n2ccnn2)C1 ZINC001073914631 787520072 /nfs/dbraw/zinc/52/00/72/787520072.db2.gz YLYXYKWAHZXEIW-OAHLLOKOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccccc2-n2ccnn2)C1 ZINC001073914631 787520075 /nfs/dbraw/zinc/52/00/75/787520075.db2.gz YLYXYKWAHZXEIW-OAHLLOKOSA-N 1 1 339.399 0.721 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001073914934 787520295 /nfs/dbraw/zinc/52/02/95/787520295.db2.gz KDTFTNTUUKQJIA-CQSZACIVSA-N 1 1 330.388 0.025 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001073914934 787520301 /nfs/dbraw/zinc/52/03/01/787520301.db2.gz KDTFTNTUUKQJIA-CQSZACIVSA-N 1 1 330.388 0.025 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001073940503 787554116 /nfs/dbraw/zinc/55/41/16/787554116.db2.gz GLBTXGQIZZDIRN-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)C#CC2CC2)[C@H](C)C1 ZINC001073955286 787578163 /nfs/dbraw/zinc/57/81/63/787578163.db2.gz TZIBWMXRVSGJBX-CJNGLKHVSA-N 1 1 328.416 0.958 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074731154 787720815 /nfs/dbraw/zinc/72/08/15/787720815.db2.gz ITRYRGUYJGEPQM-GDBMZVCRSA-N 1 1 347.459 0.067 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001074731143 787721091 /nfs/dbraw/zinc/72/10/91/787721091.db2.gz IKQVBCKATWBINB-MRXNPFEDSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001074731364 787722074 /nfs/dbraw/zinc/72/20/74/787722074.db2.gz PDJZXIMKQFVLPN-HOTGVXAUSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2C[N@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001074078006 787821317 /nfs/dbraw/zinc/82/13/17/787821317.db2.gz BZUKWSZZTDSETB-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnnn3C)[C@@H]2C)c1 ZINC001074863186 788456473 /nfs/dbraw/zinc/45/64/73/788456473.db2.gz NBEHMSIPKNMPFL-HUBLWGQQSA-N 1 1 339.403 0.540 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H](O)C(C)C)C3)C2)C1=O ZINC001072699743 788615492 /nfs/dbraw/zinc/61/54/92/788615492.db2.gz IHQCWEWKGKPHBF-LSDHHAIUSA-N 1 1 335.448 0.325 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4n[nH]cc4C)C3)C2)C1=O ZINC001072714196 788639393 /nfs/dbraw/zinc/63/93/93/788639393.db2.gz ZCNXMNICPLTACY-AWEZNQCLSA-N 1 1 343.431 0.653 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001072762076 788743147 /nfs/dbraw/zinc/74/31/47/788743147.db2.gz PETCNFQBIBPMQG-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C2)C1 ZINC001072813325 788863548 /nfs/dbraw/zinc/86/35/48/788863548.db2.gz MTQAXCZHNXKKJD-MRXNPFEDSA-N 1 1 329.448 0.371 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1ccnn1C)C2 ZINC001072822562 788889575 /nfs/dbraw/zinc/88/95/75/788889575.db2.gz NTKAIXNIORWUEE-KRWDZBQOSA-N 1 1 341.459 0.552 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1nncs1)C2 ZINC001072822355 788890274 /nfs/dbraw/zinc/89/02/74/788890274.db2.gz CPIYXCOUFTWOTA-AWEZNQCLSA-N 1 1 345.472 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1nncs1)C2 ZINC001072822355 788890284 /nfs/dbraw/zinc/89/02/84/788890284.db2.gz CPIYXCOUFTWOTA-AWEZNQCLSA-N 1 1 345.472 0.670 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001072867468 788993431 /nfs/dbraw/zinc/99/34/31/788993431.db2.gz DXIZGBLXHZGEKB-CYBMUJFWSA-N 1 1 329.404 0.104 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccc(=O)n(CCOC)c3)C2)C1 ZINC001072894361 789052809 /nfs/dbraw/zinc/05/28/09/789052809.db2.gz NDWITRMHNLRBHN-UHFFFAOYSA-N 1 1 343.427 0.666 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)C4(C(N)=O)CC4)C3)C2)s1 ZINC001072935972 789136036 /nfs/dbraw/zinc/13/60/36/789136036.db2.gz KPNPZPDRQBBBEX-UHFFFAOYSA-N 1 1 344.440 0.920 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001073027724 789301308 /nfs/dbraw/zinc/30/13/08/789301308.db2.gz QKIWARNRXSDTEI-UHFFFAOYSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073038795 789321461 /nfs/dbraw/zinc/32/14/61/789321461.db2.gz REHDOQYKOFJBOV-LSDHHAIUSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC001073062626 789371831 /nfs/dbraw/zinc/37/18/31/789371831.db2.gz JUWAHKKCKQAUCG-UHFFFAOYSA-N 1 1 332.404 0.037 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cn(C4CCOCC4)nn3)C2)C1 ZINC001073109091 789453824 /nfs/dbraw/zinc/45/38/24/789453824.db2.gz SMFQRYGEENAURK-UHFFFAOYSA-N 1 1 343.431 0.801 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)s1 ZINC001073136663 789509557 /nfs/dbraw/zinc/50/95/57/789509557.db2.gz WXINDPYLAIUTBZ-AWEZNQCLSA-N 1 1 344.440 0.933 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccn[nH]4)[C@@H]3C2)C1=O ZINC001075570283 789516293 /nfs/dbraw/zinc/51/62/93/789516293.db2.gz CTRFRCDDHAGBES-AEGPPILISA-N 1 1 329.404 0.343 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc[nH]n4)[C@@H]3C2)C1=O ZINC001075570283 789516298 /nfs/dbraw/zinc/51/62/98/789516298.db2.gz CTRFRCDDHAGBES-AEGPPILISA-N 1 1 329.404 0.343 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc[nH]n4)[C@@H]3C2)C1=O ZINC001075570283 789516303 /nfs/dbraw/zinc/51/63/03/789516303.db2.gz CTRFRCDDHAGBES-AEGPPILISA-N 1 1 329.404 0.343 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001073396423 789788828 /nfs/dbraw/zinc/78/88/28/789788828.db2.gz OJNJDNGMCMZOKG-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3ccc(C#N)nn3)C(C)(C)C2)C1 ZINC001069552648 789894568 /nfs/dbraw/zinc/89/45/68/789894568.db2.gz CWNZDLXGKAVXQB-KGLIPLIRSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3ccc(C#N)nn3)C(C)(C)C2)C1 ZINC001069552648 789894576 /nfs/dbraw/zinc/89/45/76/789894576.db2.gz CWNZDLXGKAVXQB-KGLIPLIRSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3ccncc3C#N)C(C)(C)C2)C1 ZINC001069553507 789895281 /nfs/dbraw/zinc/89/52/81/789895281.db2.gz YCPPIIXEIDCRMY-CVEARBPZSA-N 1 1 343.431 0.355 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3ccncc3C#N)C(C)(C)C2)C1 ZINC001069553507 789895287 /nfs/dbraw/zinc/89/52/87/789895287.db2.gz YCPPIIXEIDCRMY-CVEARBPZSA-N 1 1 343.431 0.355 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069596659 789925651 /nfs/dbraw/zinc/92/56/51/789925651.db2.gz GCBJNIFUCOLKBT-CYBMUJFWSA-N 1 1 339.403 0.624 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(Nc2nccc(OC)n2)C1 ZINC001069802170 790041653 /nfs/dbraw/zinc/04/16/53/790041653.db2.gz UBFAQJRQDKEHMT-NRXISQOPSA-N 1 1 343.431 0.984 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(Nc2nccc(OC)n2)C1 ZINC001069802170 790041656 /nfs/dbraw/zinc/04/16/56/790041656.db2.gz UBFAQJRQDKEHMT-NRXISQOPSA-N 1 1 343.431 0.984 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)c2C1 ZINC001069860885 790113663 /nfs/dbraw/zinc/11/36/63/790113663.db2.gz MPCOPBUTNSEZRX-ZBFHGGJFSA-N 1 1 342.447 0.713 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 ZINC001069862521 790116312 /nfs/dbraw/zinc/11/63/12/790116312.db2.gz SEYUSKVDTRYMOA-HNNXBMFYSA-N 1 1 330.436 0.713 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CCCF)CC2 ZINC001069863273 790117366 /nfs/dbraw/zinc/11/73/66/790117366.db2.gz HARPJTISEASSKI-INIZCTEOSA-N 1 1 347.438 0.772 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CCCF)CC2 ZINC001069863273 790117368 /nfs/dbraw/zinc/11/73/68/790117368.db2.gz HARPJTISEASSKI-INIZCTEOSA-N 1 1 347.438 0.772 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)c2C1 ZINC001069883005 790148716 /nfs/dbraw/zinc/14/87/16/790148716.db2.gz MHFCWODFABNCLY-KRWDZBQOSA-N 1 1 345.447 0.059 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)c2C1 ZINC001069883005 790148721 /nfs/dbraw/zinc/14/87/21/790148721.db2.gz MHFCWODFABNCLY-KRWDZBQOSA-N 1 1 345.447 0.059 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](n2ccnn2)C1 ZINC001069892163 790160566 /nfs/dbraw/zinc/16/05/66/790160566.db2.gz LJBXQMQAJOBUJB-CABCVRRESA-N 1 1 328.376 0.143 20 30 ECEDMO CC(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069906226 790175710 /nfs/dbraw/zinc/17/57/10/790175710.db2.gz KKYDDIYFXVSPIU-CABCVRRESA-N 1 1 327.392 0.789 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069908549 790176874 /nfs/dbraw/zinc/17/68/74/790176874.db2.gz CGNNYVOQVIWENV-CABCVRRESA-N 1 1 325.376 0.709 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069910062 790178846 /nfs/dbraw/zinc/17/88/46/790178846.db2.gz CZWHHGNNEINLOD-MCIONIFRSA-N 1 1 333.392 0.149 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C)sn2)[C@@H](n2ccnn2)C1 ZINC001069917506 790187294 /nfs/dbraw/zinc/18/72/94/790187294.db2.gz VCXLQFSQVAYXIS-KGLIPLIRSA-N 1 1 330.417 0.722 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)sn2)[C@@H](n2ccnn2)C1 ZINC001069917506 790187295 /nfs/dbraw/zinc/18/72/95/790187295.db2.gz VCXLQFSQVAYXIS-KGLIPLIRSA-N 1 1 330.417 0.722 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@@H](n2ccnn2)C1 ZINC001069918519 790188350 /nfs/dbraw/zinc/18/83/50/790188350.db2.gz VVSAHQQBRKWVHC-KGLIPLIRSA-N 1 1 329.408 0.726 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930712 790203376 /nfs/dbraw/zinc/20/33/76/790203376.db2.gz YPORKODFEGTIHZ-FPCVCCKLSA-N 1 1 332.452 0.536 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930712 790203378 /nfs/dbraw/zinc/20/33/78/790203378.db2.gz YPORKODFEGTIHZ-FPCVCCKLSA-N 1 1 332.452 0.536 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069950303 790230350 /nfs/dbraw/zinc/23/03/50/790230350.db2.gz MRDLQHZMZMCDCA-CABCVRRESA-N 1 1 341.419 0.171 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069960167 790242733 /nfs/dbraw/zinc/24/27/33/790242733.db2.gz GDUKJXOVEOCSQB-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069960167 790242741 /nfs/dbraw/zinc/24/27/41/790242741.db2.gz GDUKJXOVEOCSQB-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068830651 791216667 /nfs/dbraw/zinc/21/66/67/791216667.db2.gz AXLARCFTWPJERL-LSDHHAIUSA-N 1 1 333.432 0.370 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001068863293 791295653 /nfs/dbraw/zinc/29/56/53/791295653.db2.gz TXYJEYQPIZCIFZ-CABCVRRESA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@@H]1[C@H](Nc2ccncc2C#N)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068870995 791313296 /nfs/dbraw/zinc/31/32/96/791313296.db2.gz JRTRRKXFEQJREY-GDBMZVCRSA-N 1 1 343.431 0.499 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@H+](C)C(C)C)CO2 ZINC001068899460 791369584 /nfs/dbraw/zinc/36/95/84/791369584.db2.gz NMHRFCFEVWNZPV-OAHLLOKOSA-N 1 1 335.448 0.616 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)CO2 ZINC001068917676 791416724 /nfs/dbraw/zinc/41/67/24/791416724.db2.gz ZIAKRRGNFSDAAT-HZPDHXFCSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@]13CC[N@@H+](C1)CCC3)CO2 ZINC001068946246 791482495 /nfs/dbraw/zinc/48/24/95/791482495.db2.gz YHWBJQSKVKDAJC-QAPCUYQASA-N 1 1 347.459 0.925 20 30 ECEDMO CC#CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001068970901 791525830 /nfs/dbraw/zinc/52/58/30/791525830.db2.gz VWIMXOKIWOPLFE-HZPDHXFCSA-N 1 1 347.459 0.760 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001068970902 791526207 /nfs/dbraw/zinc/52/62/07/791526207.db2.gz VWIMXOKIWOPLFE-JKSUJKDBSA-N 1 1 347.459 0.760 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2ccc(C#N)nn2)C[C@@H]1C ZINC001069107117 791706715 /nfs/dbraw/zinc/70/67/15/791706715.db2.gz LIBWYLDHCIJBNB-SMDDNHRTSA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2nccnc2C#N)C[C@H]1C ZINC001069174641 791758879 /nfs/dbraw/zinc/75/88/79/791758879.db2.gz BJKORGIJBGILQL-DGCLKSJQSA-N 1 1 325.376 0.955 20 30 ECEDMO C[N@@H+](CC(=O)N1CCO[C@H](CNc2ccc(C#N)nn2)C1)C1CCC1 ZINC001066686796 791988793 /nfs/dbraw/zinc/98/87/93/791988793.db2.gz BBOWKFCYDSTCSX-OAHLLOKOSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](CNc2cnc(C#N)cn2)C1 ZINC001066691235 792003771 /nfs/dbraw/zinc/00/37/71/792003771.db2.gz OFGCCXNXDYQDTE-LSDHHAIUSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066697708 792013162 /nfs/dbraw/zinc/01/31/62/792013162.db2.gz ATTUADFXYPGXHS-RHSMWYFYSA-N 1 1 338.415 0.836 20 30 ECEDMO CCCC(=O)N1CC[C@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066697713 792013750 /nfs/dbraw/zinc/01/37/50/792013750.db2.gz AVBOKADOMFXEPX-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2C#N)CC1 ZINC001066728783 792054118 /nfs/dbraw/zinc/05/41/18/792054118.db2.gz GDHLFXMBHZMIIS-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)CC1 ZINC001066729981 792054655 /nfs/dbraw/zinc/05/46/55/792054655.db2.gz QBHLYPVYOSIPDX-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1n[nH]nc1C ZINC001067709315 792164961 /nfs/dbraw/zinc/16/49/61/792164961.db2.gz NTHPKOQKGPFPHH-AWEZNQCLSA-N 1 1 346.435 0.131 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1n[nH]nc1C ZINC001067709315 792164965 /nfs/dbraw/zinc/16/49/65/792164965.db2.gz NTHPKOQKGPFPHH-AWEZNQCLSA-N 1 1 346.435 0.131 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001067709218 792165186 /nfs/dbraw/zinc/16/51/86/792165186.db2.gz ADUOKLCAXQVNNN-VVLHAWIVSA-N 1 1 347.459 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001067709218 792165191 /nfs/dbraw/zinc/16/51/91/792165191.db2.gz ADUOKLCAXQVNNN-VVLHAWIVSA-N 1 1 347.459 0.283 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)CSCC#N ZINC001066872961 792244928 /nfs/dbraw/zinc/24/49/28/792244928.db2.gz CBKFCCIXGBPHPI-KBPBESRZSA-N 1 1 340.493 0.748 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1nccnc1C#N ZINC001067762514 792245327 /nfs/dbraw/zinc/24/53/27/792245327.db2.gz BZWOZUWFNIXDHY-UONOGXRCSA-N 1 1 328.420 0.727 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(Nc2ccnc(C#N)n2)C1 ZINC001066889953 792285920 /nfs/dbraw/zinc/28/59/20/792285920.db2.gz AHIITWZQHOWANW-CXAGYDPISA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccc(C#N)cn3)C2)C1 ZINC001067838655 792352280 /nfs/dbraw/zinc/35/22/80/792352280.db2.gz SKSRBPFDVRNEEM-YMAMQOFZSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccc(C#N)cn3)C2)C1 ZINC001067838655 792352290 /nfs/dbraw/zinc/35/22/90/792352290.db2.gz SKSRBPFDVRNEEM-YMAMQOFZSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3nccnc3C#N)CC2(C)C)C1 ZINC001068102258 792673722 /nfs/dbraw/zinc/67/37/22/792673722.db2.gz LHHMLXNQWVFZEH-KBPBESRZSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3nccnc3C#N)CC2(C)C)C1 ZINC001068102258 792673730 /nfs/dbraw/zinc/67/37/30/792673730.db2.gz LHHMLXNQWVFZEH-KBPBESRZSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(c3ccnc(C#N)n3)CC2(C)C)C1 ZINC001068113721 792694250 /nfs/dbraw/zinc/69/42/50/792694250.db2.gz QKEFCEKTXWIQPP-OLZOCXBDSA-N 1 1 328.420 0.631 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H](Nc2nccnc2C#N)C1 ZINC001067108481 792705417 /nfs/dbraw/zinc/70/54/17/792705417.db2.gz LJKGZNYDKVOVDA-SMDDNHRTSA-N 1 1 325.376 0.812 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001067165773 792769029 /nfs/dbraw/zinc/76/90/29/792769029.db2.gz BHNIRNAMLUTQNR-RISCZKNCSA-N 1 1 325.376 0.812 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001068190249 792811846 /nfs/dbraw/zinc/81/18/46/792811846.db2.gz SKPUFWGEPWBYEL-XQLPTFJDSA-N 1 1 340.431 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)CCCC)CCO2 ZINC001068307825 793013997 /nfs/dbraw/zinc/01/39/97/793013997.db2.gz YPKQPVIFXGQVPK-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)CCCC)CCO2 ZINC001068307825 793014006 /nfs/dbraw/zinc/01/40/06/793014006.db2.gz YPKQPVIFXGQVPK-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C#CC2CC2)O1 ZINC001067380930 793063746 /nfs/dbraw/zinc/06/37/46/793063746.db2.gz XVRBNVGBQBCGFX-GDBMZVCRSA-N 1 1 335.448 0.426 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C#CC2CC2)O1 ZINC001067380930 793063753 /nfs/dbraw/zinc/06/37/53/793063753.db2.gz XVRBNVGBQBCGFX-GDBMZVCRSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001067426972 793139729 /nfs/dbraw/zinc/13/97/29/793139729.db2.gz CXLLMCVYRVKUOO-INIZCTEOSA-N 1 1 337.464 0.675 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001067426913 793139901 /nfs/dbraw/zinc/13/99/01/793139901.db2.gz BVHPAWTWFFSQDX-KRWDZBQOSA-N 1 1 347.459 0.431 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001067426913 793139910 /nfs/dbraw/zinc/13/99/10/793139910.db2.gz BVHPAWTWFFSQDX-KRWDZBQOSA-N 1 1 347.459 0.431 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068386876 793173656 /nfs/dbraw/zinc/17/36/56/793173656.db2.gz IECHNWAZWMSMRU-OAHLLOKOSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001068389086 793181001 /nfs/dbraw/zinc/18/10/01/793181001.db2.gz WKRTZJSWBPOWKQ-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C#CC(C)(C)C)CCO2 ZINC001068395434 793203921 /nfs/dbraw/zinc/20/39/21/793203921.db2.gz AMGSEWQSHDKCDO-UHFFFAOYSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC001068399071 793216917 /nfs/dbraw/zinc/21/69/17/793216917.db2.gz PGIDWDZFNRNOEZ-UHFFFAOYSA-N 1 1 344.415 0.435 20 30 ECEDMO C=CCCCC(=O)N1CCOC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001068451598 793334446 /nfs/dbraw/zinc/33/44/46/793334446.db2.gz QCWPAXHESRLKSG-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCn1cc(C(=O)N(C)CC[NH2+]Cc2cn(C(C)C)nn2)nn1 ZINC001267438377 837417350 /nfs/dbraw/zinc/41/73/50/837417350.db2.gz JENMGFDLQYTPRT-UHFFFAOYSA-N 1 1 332.412 0.498 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)C2=COCCO2)C1 ZINC001267443261 837425499 /nfs/dbraw/zinc/42/54/99/837425499.db2.gz NRZPEODKQNARNF-GJZGRUSLSA-N 1 1 349.431 0.325 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)C2=COCCO2)C1 ZINC001267443261 837425506 /nfs/dbraw/zinc/42/55/06/837425506.db2.gz NRZPEODKQNARNF-GJZGRUSLSA-N 1 1 349.431 0.325 20 30 ECEDMO CCCN(C(=O)[C@H](C)C#N)[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267454213 837437175 /nfs/dbraw/zinc/43/71/75/837437175.db2.gz LSLXGZGJCANVDO-KGLIPLIRSA-N 1 1 334.420 0.608 20 30 ECEDMO C#CCOCCC(=O)N(CCC)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001267459816 837447176 /nfs/dbraw/zinc/44/71/76/837447176.db2.gz NNXNQMOCCFYVKS-JKSUJKDBSA-N 1 1 337.464 0.816 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CN(C)C(=O)COC)C1 ZINC001267466990 837473511 /nfs/dbraw/zinc/47/35/11/837473511.db2.gz UVLQPSPRHDGLPH-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCS(N)(=O)=O)C1 ZINC001267481018 837533681 /nfs/dbraw/zinc/53/36/81/837533681.db2.gz DOYUTLZLLQBNOT-CQSZACIVSA-N 1 1 329.466 0.391 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001267491001 837556610 /nfs/dbraw/zinc/55/66/10/837556610.db2.gz YBRZESQYFOEQHN-WCQYABFASA-N 1 1 348.451 0.634 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cc(C)on2)C1 ZINC001267501440 837576914 /nfs/dbraw/zinc/57/69/14/837576914.db2.gz LEUOFUQMCKSPCZ-ZIAGYGMSSA-N 1 1 332.404 0.563 20 30 ECEDMO C#Cc1cncc(C(=O)NCCC[N@@H+](CC(=O)NCC#N)C(C)C)c1 ZINC001267508414 837595507 /nfs/dbraw/zinc/59/55/07/837595507.db2.gz AVGHJQOZKHGRDM-UHFFFAOYSA-N 1 1 341.415 0.533 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cncnc2)C1 ZINC001267524562 837686747 /nfs/dbraw/zinc/68/67/47/837686747.db2.gz VDTHJZVDILMKRU-KBPBESRZSA-N 1 1 329.404 0.056 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001267525034 837687250 /nfs/dbraw/zinc/68/72/50/837687250.db2.gz XSFJOQMRUPNEFH-ZDUSSCGKSA-N 1 1 327.388 0.078 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267531834 837705597 /nfs/dbraw/zinc/70/55/97/837705597.db2.gz ZUVMOUMOHKQCOH-CQSZACIVSA-N 1 1 348.447 0.416 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001267535665 837712811 /nfs/dbraw/zinc/71/28/11/837712811.db2.gz CONPUEHGUUQUBM-HOTGVXAUSA-N 1 1 334.464 0.048 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267541380 837727490 /nfs/dbraw/zinc/72/74/90/837727490.db2.gz ZTOUEKDELDIYNK-QAPCUYQASA-N 1 1 337.464 0.905 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001267541380 837727497 /nfs/dbraw/zinc/72/74/97/837727497.db2.gz ZTOUEKDELDIYNK-QAPCUYQASA-N 1 1 337.464 0.905 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267546703 837739867 /nfs/dbraw/zinc/73/98/67/837739867.db2.gz CHIXQVRSBAQILW-CQSZACIVSA-N 1 1 331.420 0.015 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267546703 837739874 /nfs/dbraw/zinc/73/98/74/837739874.db2.gz CHIXQVRSBAQILW-CQSZACIVSA-N 1 1 331.420 0.015 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccccc2O)C1 ZINC001267551848 837753363 /nfs/dbraw/zinc/75/33/63/837753363.db2.gz SIBIHZUZTHATNI-AWEZNQCLSA-N 1 1 329.400 0.583 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)C2(C(F)F)CC2)C1 ZINC001267555909 837762399 /nfs/dbraw/zinc/76/23/99/837762399.db2.gz KHGKCGNKYIWJES-OLZOCXBDSA-N 1 1 341.402 0.998 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001267558655 837767192 /nfs/dbraw/zinc/76/71/92/837767192.db2.gz DJTSNSHSISXLAU-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CCNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267560077 837769012 /nfs/dbraw/zinc/76/90/12/837769012.db2.gz CIPDKJMXGCWLHE-CQSZACIVSA-N 1 1 339.403 0.522 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](F)CC)C1 ZINC001267560880 837771928 /nfs/dbraw/zinc/77/19/28/837771928.db2.gz KSDBYLLCKQRQAM-CHWSQXEVSA-N 1 1 342.415 0.575 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2[nH]c(C)nc2C)C1 ZINC001267565164 837780692 /nfs/dbraw/zinc/78/06/92/837780692.db2.gz KCSAPVYPDRBDOK-UKRRQHHQSA-N 1 1 345.447 0.606 20 30 ECEDMO COc1cccnc1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267566514 837784119 /nfs/dbraw/zinc/78/41/19/837784119.db2.gz DSCNCHGOCNCKQX-ZDUSSCGKSA-N 1 1 345.403 0.172 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)C[C@@H](C)c2cnn(C)c2)CC1 ZINC001267572991 837812446 /nfs/dbraw/zinc/81/24/46/837812446.db2.gz FCZRDAOJECIPHM-MRXNPFEDSA-N 1 1 331.464 0.623 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001267575052 837824463 /nfs/dbraw/zinc/82/44/63/837824463.db2.gz AWGHHWIKFNHXCH-CQSZACIVSA-N 1 1 328.416 0.954 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)Cn2ccc(C)cc2=O)C1 ZINC001267576068 837829058 /nfs/dbraw/zinc/82/90/58/837829058.db2.gz NJTNOSHKPCOVHT-QGZVFWFLSA-N 1 1 345.443 0.635 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C2(C(C)(F)F)CC2)C1 ZINC001267576759 837831319 /nfs/dbraw/zinc/83/13/19/837831319.db2.gz XPNFQHGFZBQIPF-ZDUSSCGKSA-N 1 1 341.402 0.999 20 30 ECEDMO C=CCN1CC[C@@H](N2CC[NH+](CCCNC(=O)/C(C)=C/C)CC2)C1=O ZINC001266259928 835568476 /nfs/dbraw/zinc/56/84/76/835568476.db2.gz LNAINKBZVDYMTH-RPDKKYPRSA-N 1 1 348.491 0.863 20 30 ECEDMO Cc1nnc([C@@H](C)N2CC[NH+](CCCNC(=O)[C@H](C)C#N)CC2)o1 ZINC001266259991 835568824 /nfs/dbraw/zinc/56/88/24/835568824.db2.gz MGXAOZOMMWNRIW-CHWSQXEVSA-N 1 1 334.424 0.723 20 30 ECEDMO CC(=O)N[C@@](C)(C(=O)NCCC[NH+]1CCN(CC#N)CC1)C(C)C ZINC001266277657 835602906 /nfs/dbraw/zinc/60/29/06/835602906.db2.gz LCQOCGHGUXAYJW-QGZVFWFLSA-N 1 1 337.468 0.185 20 30 ECEDMO C=CCOCC[N@@H+](C)CCNC(=O)c1cnc2ccccn2c1=O ZINC001266288945 835632922 /nfs/dbraw/zinc/63/29/22/835632922.db2.gz VKOCQKAXHNOMMO-UHFFFAOYSA-N 1 1 330.388 0.559 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cc3c(C)nn(C)c3s2)CC1 ZINC001266289912 835633680 /nfs/dbraw/zinc/63/36/80/835633680.db2.gz HGNLHUNQSPOVHT-UHFFFAOYSA-N 1 1 345.472 0.924 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@H](C)Oc2cccnc2)CC1 ZINC001266292663 835637130 /nfs/dbraw/zinc/63/71/30/835637130.db2.gz PQIAFDVGOJVQFU-INIZCTEOSA-N 1 1 330.432 0.606 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)Cc2csc3nccn23)CC1 ZINC001266297868 835649272 /nfs/dbraw/zinc/64/92/72/835649272.db2.gz WGILRQCKPFEPGY-UHFFFAOYSA-N 1 1 331.445 0.305 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)C(N)=O)C2)cc1C#N ZINC001266325763 835703936 /nfs/dbraw/zinc/70/39/36/835703936.db2.gz RNBFUNQONFSLNR-AWEZNQCLSA-N 1 1 344.415 0.769 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)C(C)(C)C(N)=O)C2)cc1C#N ZINC001266325763 835703940 /nfs/dbraw/zinc/70/39/40/835703940.db2.gz RNBFUNQONFSLNR-AWEZNQCLSA-N 1 1 344.415 0.769 20 30 ECEDMO CCOCCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C#CC(C)C)C[C@H]2C1 ZINC001279363804 835705180 /nfs/dbraw/zinc/70/51/80/835705180.db2.gz WLFSYOSWSBOEJQ-IYBDPMFKSA-N 1 1 335.448 0.189 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001266327398 835708382 /nfs/dbraw/zinc/70/83/82/835708382.db2.gz DYFPYFKGSZYLAV-CYBMUJFWSA-N 1 1 331.372 0.307 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001266327398 835708385 /nfs/dbraw/zinc/70/83/85/835708385.db2.gz DYFPYFKGSZYLAV-CYBMUJFWSA-N 1 1 331.372 0.307 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NCc1ccco1 ZINC001266328589 835710424 /nfs/dbraw/zinc/71/04/24/835710424.db2.gz JMBLBMUKDRCROX-BMFZPTHFSA-N 1 1 349.431 0.923 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)C(=O)NCc1ccco1 ZINC001266328589 835710431 /nfs/dbraw/zinc/71/04/31/835710431.db2.gz JMBLBMUKDRCROX-BMFZPTHFSA-N 1 1 349.431 0.923 20 30 ECEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001266333473 835715884 /nfs/dbraw/zinc/71/58/84/835715884.db2.gz NXOOMVIHQSMWOB-CQSZACIVSA-N 1 1 329.404 0.653 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001266344903 835734038 /nfs/dbraw/zinc/73/40/38/835734038.db2.gz ODQMZOQWVLNQHV-GFCCVEGCSA-N 1 1 348.378 0.770 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001266344903 835734051 /nfs/dbraw/zinc/73/40/51/835734051.db2.gz ODQMZOQWVLNQHV-GFCCVEGCSA-N 1 1 348.378 0.770 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCCO[C@H]3CCOC3)C2)nn1 ZINC001266347702 835739981 /nfs/dbraw/zinc/73/99/81/835739981.db2.gz RPTBQPXAJREEED-GJZGRUSLSA-N 1 1 349.435 0.464 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC ZINC001266352162 835751634 /nfs/dbraw/zinc/75/16/34/835751634.db2.gz ORUPQWLLDZCXNU-ZDUSSCGKSA-N 1 1 344.415 0.103 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC ZINC001266352162 835751640 /nfs/dbraw/zinc/75/16/40/835751640.db2.gz ORUPQWLLDZCXNU-ZDUSSCGKSA-N 1 1 344.415 0.103 20 30 ECEDMO COC1(CC(=O)N[C@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)CCC1 ZINC001266370198 835781972 /nfs/dbraw/zinc/78/19/72/835781972.db2.gz ADKZOPFCKFWZHP-AWEZNQCLSA-N 1 1 348.447 0.556 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)[C@H](CC)OC)CC1 ZINC001266384261 835794420 /nfs/dbraw/zinc/79/44/20/835794420.db2.gz BTHXOHWMLBBNSV-INIZCTEOSA-N 1 1 337.464 0.864 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC(C)C)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001266387865 835796254 /nfs/dbraw/zinc/79/62/54/835796254.db2.gz JQHYVVBZXQQFBR-JKSUJKDBSA-N 1 1 337.464 0.768 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC(C)C)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001266387865 835796263 /nfs/dbraw/zinc/79/62/63/835796263.db2.gz JQHYVVBZXQQFBR-JKSUJKDBSA-N 1 1 337.464 0.768 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)CC(=O)N1CCOC[C@H]1C1CC1 ZINC001266390877 835800090 /nfs/dbraw/zinc/80/00/90/835800090.db2.gz QAJWSSJJMBESCB-KRWDZBQOSA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)N1CCOC[C@H]1C1CC1 ZINC001266390877 835800100 /nfs/dbraw/zinc/80/01/00/835800100.db2.gz QAJWSSJJMBESCB-KRWDZBQOSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001266449005 835853055 /nfs/dbraw/zinc/85/30/55/835853055.db2.gz XMSOVCONYRVTBB-ZIAGYGMSSA-N 1 1 331.420 0.332 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001266449005 835853063 /nfs/dbraw/zinc/85/30/63/835853063.db2.gz XMSOVCONYRVTBB-ZIAGYGMSSA-N 1 1 331.420 0.332 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001266449005 835853071 /nfs/dbraw/zinc/85/30/71/835853071.db2.gz XMSOVCONYRVTBB-ZIAGYGMSSA-N 1 1 331.420 0.332 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 ZINC001266451355 835854306 /nfs/dbraw/zinc/85/43/06/835854306.db2.gz COPCMSDSNDXRBU-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)OCC)C1 ZINC001266453088 835856550 /nfs/dbraw/zinc/85/65/50/835856550.db2.gz XPZBULPEKHMNEM-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)OCC)C1 ZINC001266453087 835856698 /nfs/dbraw/zinc/85/66/98/835856698.db2.gz XPZBULPEKHMNEM-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC1 ZINC001266454528 835857372 /nfs/dbraw/zinc/85/73/72/835857372.db2.gz XVRMKYCVZVHQDY-CQSZACIVSA-N 1 1 336.436 0.769 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC1 ZINC001266454528 835857381 /nfs/dbraw/zinc/85/73/81/835857381.db2.gz XVRMKYCVZVHQDY-CQSZACIVSA-N 1 1 336.436 0.769 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001266455457 835857878 /nfs/dbraw/zinc/85/78/78/835857878.db2.gz FHGUMTIMFGXGJF-VKJFTORMSA-N 1 1 335.448 0.496 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001266455785 835858248 /nfs/dbraw/zinc/85/82/48/835858248.db2.gz LEKBKULDVZWCMZ-GJZGRUSLSA-N 1 1 333.432 0.621 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN(C(=O)C2(C(F)F)CC2)C1 ZINC001266456008 835859311 /nfs/dbraw/zinc/85/93/11/835859311.db2.gz PANCUODHRCXCNR-GFCCVEGCSA-N 1 1 342.390 0.842 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001266459036 835862537 /nfs/dbraw/zinc/86/25/37/835862537.db2.gz IQELWECEKKZEEE-HUUCEWRRSA-N 1 1 345.447 0.740 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001266465895 835867236 /nfs/dbraw/zinc/86/72/36/835867236.db2.gz FACFAAUYMXXRGO-CVEARBPZSA-N 1 1 344.463 0.819 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cn(CCC)nn1 ZINC001266487091 835888252 /nfs/dbraw/zinc/88/82/52/835888252.db2.gz TWCJBLJUYNJSLL-KBPBESRZSA-N 1 1 346.435 0.020 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CCC)nn1 ZINC001266487091 835888256 /nfs/dbraw/zinc/88/82/56/835888256.db2.gz TWCJBLJUYNJSLL-KBPBESRZSA-N 1 1 346.435 0.020 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001266489238 835889093 /nfs/dbraw/zinc/88/90/93/835889093.db2.gz ZAMMPIXXVRPXNO-AWEZNQCLSA-N 1 1 333.436 0.538 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)NCC=C)nc1 ZINC001266489090 835889162 /nfs/dbraw/zinc/88/91/62/835889162.db2.gz WHFFRTOFCZWXNV-GDBMZVCRSA-N 1 1 340.427 0.948 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)NCC=C)nc1 ZINC001266489090 835889168 /nfs/dbraw/zinc/88/91/68/835889168.db2.gz WHFFRTOFCZWXNV-GDBMZVCRSA-N 1 1 340.427 0.948 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2snnc2C)C1 ZINC001266500874 835901994 /nfs/dbraw/zinc/90/19/94/835901994.db2.gz XQQPAWUXVLYDRV-NWDGAFQWSA-N 1 1 337.449 0.589 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001266501013 835902155 /nfs/dbraw/zinc/90/21/55/835902155.db2.gz ZWPUIZXJCICSTA-QWHCGFSZSA-N 1 1 333.436 0.715 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C[C@@H](C)OC)C2)CC1 ZINC001266502005 835903174 /nfs/dbraw/zinc/90/31/74/835903174.db2.gz RVHFBMHEFDLKQN-IAGOWNOFSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCCCCC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC)C1 ZINC001266509975 835915910 /nfs/dbraw/zinc/91/59/10/835915910.db2.gz WZZNVUQRZPYPFQ-AWEZNQCLSA-N 1 1 336.436 0.464 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC001266511778 835919898 /nfs/dbraw/zinc/91/98/98/835919898.db2.gz QTKUGRWZMQWPEI-HUUCEWRRSA-N 1 1 328.478 0.909 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001266511826 835919971 /nfs/dbraw/zinc/91/99/71/835919971.db2.gz RNLXHXGZEQLTLI-CYBMUJFWSA-N 1 1 347.419 0.387 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccccn3)CC2)C1 ZINC001266514799 835925501 /nfs/dbraw/zinc/92/55/01/835925501.db2.gz VICDVZHHDPWKIC-AWEZNQCLSA-N 1 1 341.415 0.191 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2(c3ccccn3)CC2)C1 ZINC001266514799 835925508 /nfs/dbraw/zinc/92/55/08/835925508.db2.gz VICDVZHHDPWKIC-AWEZNQCLSA-N 1 1 341.415 0.191 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(OCC)nc2)C1 ZINC001266517836 835930148 /nfs/dbraw/zinc/93/01/48/835930148.db2.gz OEBSTGFMCGYTRV-CQSZACIVSA-N 1 1 346.431 0.834 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC001266524957 835940057 /nfs/dbraw/zinc/94/00/57/835940057.db2.gz AXENBORPVXBFBW-KBPBESRZSA-N 1 1 346.431 0.833 20 30 ECEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CCC1 ZINC001266533561 835951509 /nfs/dbraw/zinc/95/15/09/835951509.db2.gz MGYGKTPESLUKLC-CYBMUJFWSA-N 1 1 333.436 0.793 20 30 ECEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CCC1 ZINC001266533561 835951513 /nfs/dbraw/zinc/95/15/13/835951513.db2.gz MGYGKTPESLUKLC-CYBMUJFWSA-N 1 1 333.436 0.793 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001266537092 835955331 /nfs/dbraw/zinc/95/53/31/835955331.db2.gz DXNINNNKLWAEDF-WBVHZDCISA-N 1 1 347.463 0.829 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C(C)C)nn2C)C1 ZINC001266540003 835961525 /nfs/dbraw/zinc/96/15/25/835961525.db2.gz NBTORPBCJJISCY-AWEZNQCLSA-N 1 1 347.463 0.897 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnoc2C2CC2)C1 ZINC001266540175 835961561 /nfs/dbraw/zinc/96/15/61/835961561.db2.gz QSUOXTIHAAMQNF-QWHCGFSZSA-N 1 1 344.415 0.742 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)CNC(=O)CCC(C)C)C1 ZINC001266539964 835962029 /nfs/dbraw/zinc/96/20/29/835962029.db2.gz MKKDMEIUWGROCZ-MRXNPFEDSA-N 1 1 337.464 0.627 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001266545235 835966989 /nfs/dbraw/zinc/96/69/89/835966989.db2.gz NXOVXRXLOZXYOM-CRAIPNDOSA-N 1 1 339.439 0.879 20 30 ECEDMO CC#CC[N@@H+](CCC)CCNC(=O)CN1CCCCS1(=O)=O ZINC001266567104 835995812 /nfs/dbraw/zinc/99/58/12/835995812.db2.gz WAVQVKHOGPINAU-UHFFFAOYSA-N 1 1 329.466 0.264 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@@H]1CCCN(C(N)=O)C1)C1CC1 ZINC001266600582 836034505 /nfs/dbraw/zinc/03/45/05/836034505.db2.gz ZULRZIVUABNIIQ-CQSZACIVSA-N 1 1 336.436 0.008 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cncnc1CC)C1CC1 ZINC001266619224 836055288 /nfs/dbraw/zinc/05/52/88/836055288.db2.gz DXFAWAWBMKEJLU-CYBMUJFWSA-N 1 1 343.431 0.371 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cncnc1CC)C1CC1 ZINC001266619224 836055298 /nfs/dbraw/zinc/05/52/98/836055298.db2.gz DXFAWAWBMKEJLU-CYBMUJFWSA-N 1 1 343.431 0.371 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnco2)C1 ZINC001266660249 836097448 /nfs/dbraw/zinc/09/74/48/836097448.db2.gz VPFIDXTXGZMMMR-QWHCGFSZSA-N 1 1 331.376 0.241 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnco2)C1 ZINC001266660249 836097459 /nfs/dbraw/zinc/09/74/59/836097459.db2.gz VPFIDXTXGZMMMR-QWHCGFSZSA-N 1 1 331.376 0.241 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CC[NH2+]Cc1nnc(C2CCC2)n1C ZINC001266696880 836160080 /nfs/dbraw/zinc/16/00/80/836160080.db2.gz VHBLGBGGBUDJSN-CYBMUJFWSA-N 1 1 333.436 0.669 20 30 ECEDMO CCCSCC(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266740576 836222938 /nfs/dbraw/zinc/22/29/38/836222938.db2.gz USFNGCGCNDRCES-CYBMUJFWSA-N 1 1 326.466 0.598 20 30 ECEDMO CCCSCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266740576 836222949 /nfs/dbraw/zinc/22/29/49/836222949.db2.gz USFNGCGCNDRCES-CYBMUJFWSA-N 1 1 326.466 0.598 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccsn2)C1 ZINC001266751159 836243587 /nfs/dbraw/zinc/24/35/87/836243587.db2.gz CIDKXOJYNBETRY-STQMWFEESA-N 1 1 334.445 0.723 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc3occc3[nH]2)C1 ZINC001266751622 836243937 /nfs/dbraw/zinc/24/39/37/836243937.db2.gz ILAVBOGQDNWBHZ-GFCCVEGCSA-N 1 1 343.387 0.842 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc3occc3[nH]2)C1 ZINC001266751622 836243946 /nfs/dbraw/zinc/24/39/46/836243946.db2.gz ILAVBOGQDNWBHZ-GFCCVEGCSA-N 1 1 343.387 0.842 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](CNC(=O)CCc2nccn2C)C1 ZINC001266755566 836251428 /nfs/dbraw/zinc/25/14/28/836251428.db2.gz RFGHNNLJNILEAW-MRXNPFEDSA-N 1 1 332.448 0.831 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001266758759 836254819 /nfs/dbraw/zinc/25/48/19/836254819.db2.gz ZTGLVJPLQIWJHF-CYBMUJFWSA-N 1 1 347.419 0.235 20 30 ECEDMO C=CCCC[N@H+]1CCC[C@H](CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001266766182 836271816 /nfs/dbraw/zinc/27/18/16/836271816.db2.gz DXRGICNHUZKKCM-CQSZACIVSA-N 1 1 336.436 0.723 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H](C)CCCOC)C1 ZINC001279518276 836343070 /nfs/dbraw/zinc/34/30/70/836343070.db2.gz HNXLTHVGSATBIC-FUHWJXTLSA-N 1 1 340.464 0.642 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H](C)CCCOC)C1 ZINC001279518276 836343082 /nfs/dbraw/zinc/34/30/82/836343082.db2.gz HNXLTHVGSATBIC-FUHWJXTLSA-N 1 1 340.464 0.642 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001279518524 836346891 /nfs/dbraw/zinc/34/68/91/836346891.db2.gz KSRSLLLAJFHUMW-YJBOKZPZSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001266841730 836367455 /nfs/dbraw/zinc/36/74/55/836367455.db2.gz BKETVIWSNLCBNR-AWEZNQCLSA-N 1 1 330.450 0.204 20 30 ECEDMO C=CCOCC[N@H+]1CCCC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001266841730 836367462 /nfs/dbraw/zinc/36/74/62/836367462.db2.gz BKETVIWSNLCBNR-AWEZNQCLSA-N 1 1 330.450 0.204 20 30 ECEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001266844471 836371007 /nfs/dbraw/zinc/37/10/07/836371007.db2.gz LCXORPFYVVLONH-HNNXBMFYSA-N 1 1 348.447 0.484 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@@H](O)COC)nn1 ZINC001266855303 836389031 /nfs/dbraw/zinc/38/90/31/836389031.db2.gz AISVJHGJSRLRIM-ZIAGYGMSSA-N 1 1 337.424 0.056 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1cncn1C ZINC001266857026 836392662 /nfs/dbraw/zinc/39/26/62/836392662.db2.gz ISJFEEOHSWGFQQ-CQSZACIVSA-N 1 1 333.436 0.236 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cncn1C ZINC001266857026 836392676 /nfs/dbraw/zinc/39/26/76/836392676.db2.gz ISJFEEOHSWGFQQ-CQSZACIVSA-N 1 1 333.436 0.236 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001266859023 836397866 /nfs/dbraw/zinc/39/78/66/836397866.db2.gz WHECZKDKNLWMBI-OAHLLOKOSA-N 1 1 345.447 0.375 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001266892275 836442644 /nfs/dbraw/zinc/44/26/44/836442644.db2.gz UEDRBNPCBPEXGP-STQMWFEESA-N 1 1 334.424 0.170 20 30 ECEDMO C[C@H](NC(=O)C(N)=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001266895902 836447086 /nfs/dbraw/zinc/44/70/86/836447086.db2.gz UUHDWWDALBURLU-FZMZJTMJSA-N 1 1 332.379 0.899 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001266896048 836448224 /nfs/dbraw/zinc/44/82/24/836448224.db2.gz WIYQSHNEVANHRL-STQMWFEESA-N 1 1 329.466 0.164 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC001266954976 836520990 /nfs/dbraw/zinc/52/09/90/836520990.db2.gz XJKBTVVJRRVYRP-MRVPVSSYSA-N 1 1 347.341 0.747 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001267099624 836768791 /nfs/dbraw/zinc/76/87/91/836768791.db2.gz BRLZLHXLLRSNMT-CABCVRRESA-N 1 1 348.451 0.282 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2cnns2)C1 ZINC001267100592 836771715 /nfs/dbraw/zinc/77/17/15/836771715.db2.gz LMYGNPXTCLPWAZ-RYUDHWBXSA-N 1 1 335.433 0.212 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001267107769 836789863 /nfs/dbraw/zinc/78/98/63/836789863.db2.gz IZWBLSNCYHDGAV-OAHLLOKOSA-N 1 1 346.431 0.224 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001267107769 836789873 /nfs/dbraw/zinc/78/98/73/836789873.db2.gz IZWBLSNCYHDGAV-OAHLLOKOSA-N 1 1 346.431 0.224 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)c1cccnc1 ZINC001267113776 836802882 /nfs/dbraw/zinc/80/28/82/836802882.db2.gz RTTLPTSFLVHPCO-GDBMZVCRSA-N 1 1 343.431 0.748 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)c1cccnc1 ZINC001267113776 836802892 /nfs/dbraw/zinc/80/28/92/836802892.db2.gz RTTLPTSFLVHPCO-GDBMZVCRSA-N 1 1 343.431 0.748 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)NS(C)(=O)=O ZINC001279576891 836820304 /nfs/dbraw/zinc/82/03/04/836820304.db2.gz QIKPFUVHAIYJMO-HZSPNIEDSA-N 1 1 327.450 0.013 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CCc1nc[nH]n1 ZINC001267162071 836879055 /nfs/dbraw/zinc/87/90/55/836879055.db2.gz APONTDYPMHFWFH-HNNXBMFYSA-N 1 1 333.436 0.748 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CCNC1=O ZINC001267169447 836896531 /nfs/dbraw/zinc/89/65/31/836896531.db2.gz PFMLAKBQXCVUJJ-JKSUJKDBSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001267171526 836905134 /nfs/dbraw/zinc/90/51/34/836905134.db2.gz JEQAHEYQJXZTHA-CABCVRRESA-N 1 1 326.462 0.948 20 30 ECEDMO Cc1conc1C(=O)NCCC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267177647 836919605 /nfs/dbraw/zinc/91/96/05/836919605.db2.gz VYKFQJYCSIZTLH-ZDUSSCGKSA-N 1 1 333.392 0.597 20 30 ECEDMO C[N@H+](CCNC(=O)C#CC1CC1)CC(=O)NC(=O)NC1CCCC1 ZINC001267194370 836958078 /nfs/dbraw/zinc/95/80/78/836958078.db2.gz OAHLXNYGFSUOKS-UHFFFAOYSA-N 1 1 334.420 0.216 20 30 ECEDMO C[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)NC(=O)NC1CCCC1 ZINC001267194370 836958086 /nfs/dbraw/zinc/95/80/86/836958086.db2.gz OAHLXNYGFSUOKS-UHFFFAOYSA-N 1 1 334.420 0.216 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnn(C(C)(C)C)c1 ZINC001267204652 836983434 /nfs/dbraw/zinc/98/34/34/836983434.db2.gz ILZXWZNGYDYVAJ-CYBMUJFWSA-N 1 1 335.452 0.990 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn(C(C)(C)C)c1 ZINC001267204652 836983444 /nfs/dbraw/zinc/98/34/44/836983444.db2.gz ILZXWZNGYDYVAJ-CYBMUJFWSA-N 1 1 335.452 0.990 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001267218017 837009122 /nfs/dbraw/zinc/00/91/22/837009122.db2.gz VTASDBLBBKNXTH-MJBXVCDLSA-N 1 1 332.466 0.306 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001267218017 837009128 /nfs/dbraw/zinc/00/91/28/837009128.db2.gz VTASDBLBBKNXTH-MJBXVCDLSA-N 1 1 332.466 0.306 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1noc2c1CCCCC2 ZINC001267219042 837009613 /nfs/dbraw/zinc/00/96/13/837009613.db2.gz KNXOMYSZEMVZNV-ZDUSSCGKSA-N 1 1 346.431 0.743 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1noc2c1CCCCC2 ZINC001267219042 837009629 /nfs/dbraw/zinc/00/96/29/837009629.db2.gz KNXOMYSZEMVZNV-ZDUSSCGKSA-N 1 1 346.431 0.743 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccc2c1CCC2 ZINC001267232990 837038099 /nfs/dbraw/zinc/03/80/99/837038099.db2.gz HMNZARQKNFZWAR-AWEZNQCLSA-N 1 1 327.428 0.975 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccc2c1CCC2 ZINC001267232990 837038106 /nfs/dbraw/zinc/03/81/06/837038106.db2.gz HMNZARQKNFZWAR-AWEZNQCLSA-N 1 1 327.428 0.975 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCCN(C)[C@@H](C)c2n[nH]c(CC)n2)CC1 ZINC001267233477 837039398 /nfs/dbraw/zinc/03/93/98/837039398.db2.gz UWRDUSOIZRXPOV-AWEZNQCLSA-N 1 1 346.479 0.821 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001267241371 837049529 /nfs/dbraw/zinc/04/95/29/837049529.db2.gz USWSNSKNZAUSEA-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001267241371 837049539 /nfs/dbraw/zinc/04/95/39/837049539.db2.gz USWSNSKNZAUSEA-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001267243411 837053853 /nfs/dbraw/zinc/05/38/53/837053853.db2.gz XGQZAWOCXASCEV-UHFFFAOYSA-N 1 1 330.388 0.970 20 30 ECEDMO CC[N@H+](CCNC(=O)c1nc2cnccc2s1)CC(=O)NCC#N ZINC001267244601 837057825 /nfs/dbraw/zinc/05/78/25/837057825.db2.gz JQHMQRIHVHHUAJ-UHFFFAOYSA-N 1 1 346.416 0.383 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1nc2cnccc2s1)CC(=O)NCC#N ZINC001267244601 837057839 /nfs/dbraw/zinc/05/78/39/837057839.db2.gz JQHMQRIHVHHUAJ-UHFFFAOYSA-N 1 1 346.416 0.383 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cn2c(n1)C[C@@H](OC)CC2 ZINC001267246245 837061419 /nfs/dbraw/zinc/06/14/19/837061419.db2.gz UJEBZNVTIBSEFM-HNNXBMFYSA-N 1 1 348.447 0.546 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC001267248794 837065890 /nfs/dbraw/zinc/06/58/90/837065890.db2.gz GRWCKQIRXMUTIJ-ZFWWWQNUSA-N 1 1 347.463 0.816 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC001267248794 837065895 /nfs/dbraw/zinc/06/58/95/837065895.db2.gz GRWCKQIRXMUTIJ-ZFWWWQNUSA-N 1 1 347.463 0.816 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001267249599 837068222 /nfs/dbraw/zinc/06/82/22/837068222.db2.gz QBCDRNLRTQVODZ-MRXNPFEDSA-N 1 1 331.391 0.653 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001267249599 837068232 /nfs/dbraw/zinc/06/82/32/837068232.db2.gz QBCDRNLRTQVODZ-MRXNPFEDSA-N 1 1 331.391 0.653 20 30 ECEDMO CC[N@H+](CCNC(=O)c1[nH]nc2ccccc21)CC(=O)NCC#N ZINC001267254819 837076230 /nfs/dbraw/zinc/07/62/30/837076230.db2.gz FXFGPQWYVFGVHP-UHFFFAOYSA-N 1 1 328.376 0.254 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1[nH]nc2ccccc21)CC(=O)NCC#N ZINC001267254819 837076235 /nfs/dbraw/zinc/07/62/35/837076235.db2.gz FXFGPQWYVFGVHP-UHFFFAOYSA-N 1 1 328.376 0.254 20 30 ECEDMO CC[N@H+](CCNC(=O)CC#Cc1ccccc1)CC(=O)NCC#N ZINC001267257411 837083354 /nfs/dbraw/zinc/08/33/54/837083354.db2.gz VTUAAKJPGMMOOJ-UHFFFAOYSA-N 1 1 326.400 0.506 20 30 ECEDMO CC[N@@H+](CCNC(=O)CC#Cc1ccccc1)CC(=O)NCC#N ZINC001267257411 837083361 /nfs/dbraw/zinc/08/33/61/837083361.db2.gz VTUAAKJPGMMOOJ-UHFFFAOYSA-N 1 1 326.400 0.506 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)Cc2nnc(C)o2)C1=O ZINC001267266860 837103484 /nfs/dbraw/zinc/10/34/84/837103484.db2.gz MNGDCNCBLKXGHI-UONOGXRCSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)Cc2nnc(C)o2)C1=O ZINC001267266860 837103491 /nfs/dbraw/zinc/10/34/91/837103491.db2.gz MNGDCNCBLKXGHI-UONOGXRCSA-N 1 1 347.419 0.288 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001267267141 837105257 /nfs/dbraw/zinc/10/52/57/837105257.db2.gz LPUOWXGJSNGNCP-DOTOQJQBSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001267269419 837107751 /nfs/dbraw/zinc/10/77/51/837107751.db2.gz NSESWTWOZYARJF-GFCCVEGCSA-N 1 1 328.372 0.705 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001267269419 837107757 /nfs/dbraw/zinc/10/77/57/837107757.db2.gz NSESWTWOZYARJF-GFCCVEGCSA-N 1 1 328.372 0.705 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001267282424 837131080 /nfs/dbraw/zinc/13/10/80/837131080.db2.gz QMZMPVMMYGTZLJ-CYBMUJFWSA-N 1 1 329.466 0.308 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001267282424 837131088 /nfs/dbraw/zinc/13/10/88/837131088.db2.gz QMZMPVMMYGTZLJ-CYBMUJFWSA-N 1 1 329.466 0.308 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CC2CC2)C1 ZINC001267286108 837137147 /nfs/dbraw/zinc/13/71/47/837137147.db2.gz VQYPFBOXKKTQCZ-OCCSQVGLSA-N 1 1 336.436 0.625 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001267292546 837144622 /nfs/dbraw/zinc/14/46/22/837144622.db2.gz BUUBTWBDDIEAMO-CQSZACIVSA-N 1 1 332.404 0.463 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001267292546 837144627 /nfs/dbraw/zinc/14/46/27/837144627.db2.gz BUUBTWBDDIEAMO-CQSZACIVSA-N 1 1 332.404 0.463 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001267292599 837144678 /nfs/dbraw/zinc/14/46/78/837144678.db2.gz CWAMTWSECMQQIL-KBPBESRZSA-N 1 1 348.399 0.625 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001267292599 837144682 /nfs/dbraw/zinc/14/46/82/837144682.db2.gz CWAMTWSECMQQIL-KBPBESRZSA-N 1 1 348.399 0.625 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)c2ncccc2NC(C)=O)C1 ZINC001267294365 837148154 /nfs/dbraw/zinc/14/81/54/837148154.db2.gz HBUZUFFCMUKPFB-HNNXBMFYSA-N 1 1 344.415 0.742 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001267297602 837155023 /nfs/dbraw/zinc/15/50/23/837155023.db2.gz DGDDAACCNQTYOY-CRAIPNDOSA-N 1 1 337.464 0.886 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001267296226 837155364 /nfs/dbraw/zinc/15/53/64/837155364.db2.gz JHIFOCIRYXVHNX-IRXDYDNUSA-N 1 1 344.459 0.842 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001267298460 837159942 /nfs/dbraw/zinc/15/99/42/837159942.db2.gz NTFKPEBPAGEAJQ-HUUCEWRRSA-N 1 1 345.447 0.101 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001267302932 837167721 /nfs/dbraw/zinc/16/77/21/837167721.db2.gz IXSNUKSNVLVSDN-HOCLYGCPSA-N 1 1 348.451 0.224 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001267302932 837167725 /nfs/dbraw/zinc/16/77/25/837167725.db2.gz IXSNUKSNVLVSDN-HOCLYGCPSA-N 1 1 348.451 0.224 20 30 ECEDMO CCC[N@H+](CCNC(=O)[C@@H]1CCc2cccnc21)CC(=O)NCC#N ZINC001267317108 837193594 /nfs/dbraw/zinc/19/35/94/837193594.db2.gz ODZJQWLYIQTYBJ-OAHLLOKOSA-N 1 1 343.431 0.579 20 30 ECEDMO CCC[N@@H+](CCNC(=O)[C@@H]1CCc2cccnc21)CC(=O)NCC#N ZINC001267317108 837193597 /nfs/dbraw/zinc/19/35/97/837193597.db2.gz ODZJQWLYIQTYBJ-OAHLLOKOSA-N 1 1 343.431 0.579 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cnccc1C)C1CC1 ZINC001267323164 837200337 /nfs/dbraw/zinc/20/03/37/837200337.db2.gz INMATLIZUIAPSD-AWEZNQCLSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cnccc1C)C1CC1 ZINC001267323164 837200348 /nfs/dbraw/zinc/20/03/48/837200348.db2.gz INMATLIZUIAPSD-AWEZNQCLSA-N 1 1 328.416 0.722 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCNC(=O)Cc2ccon2)C2CC2)C1=O ZINC001267323683 837201296 /nfs/dbraw/zinc/20/12/96/837201296.db2.gz PISVYAXFZHTBDV-OAHLLOKOSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCNC(=O)Cc2ccon2)C2CC2)C1=O ZINC001267323683 837201302 /nfs/dbraw/zinc/20/13/02/837201302.db2.gz PISVYAXFZHTBDV-OAHLLOKOSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1cnc2n1CCC2)C1CC1 ZINC001267327667 837206658 /nfs/dbraw/zinc/20/66/58/837206658.db2.gz WBJIMQAJFWXNDX-UHFFFAOYSA-N 1 1 331.420 0.326 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1cnc2n1CCC2)C1CC1 ZINC001267327667 837206668 /nfs/dbraw/zinc/20/66/68/837206668.db2.gz WBJIMQAJFWXNDX-UHFFFAOYSA-N 1 1 331.420 0.326 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)Cc1c(F)cccc1F)C1CC1 ZINC001267331764 837213532 /nfs/dbraw/zinc/21/35/32/837213532.db2.gz QMWYJLZRYWAKNO-UHFFFAOYSA-N 1 1 349.381 0.837 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)Cc1c(F)cccc1F)C1CC1 ZINC001267331764 837213543 /nfs/dbraw/zinc/21/35/43/837213543.db2.gz QMWYJLZRYWAKNO-UHFFFAOYSA-N 1 1 349.381 0.837 20 30 ECEDMO Cc1cc(C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)c2ccccc2)on1 ZINC001267350184 837237434 /nfs/dbraw/zinc/23/74/34/837237434.db2.gz BHRGRENQHJLVDK-CQSZACIVSA-N 1 1 341.371 0.684 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@]1(F)CCOC1)c1ccccc1 ZINC001267371596 837272414 /nfs/dbraw/zinc/27/24/14/837272414.db2.gz ZZUUQKQUTWBOIM-CRAIPNDOSA-N 1 1 347.390 0.312 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001267404739 837373138 /nfs/dbraw/zinc/37/31/38/837373138.db2.gz AHOCTWYVWUJMBW-BHYGNILZSA-N 1 1 343.427 0.599 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](O)COC)cc1 ZINC001267417928 837383221 /nfs/dbraw/zinc/38/32/21/837383221.db2.gz SBHOEOOLHSZRED-KSZLIROESA-N 1 1 328.412 0.964 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H](O)Cn2cccn2)C1 ZINC001267580870 837841503 /nfs/dbraw/zinc/84/15/03/837841503.db2.gz FZRLNCDWIJVGGG-IAGOWNOFSA-N 1 1 332.448 0.828 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[C@@H]2CC[N@H+](CC(=O)NC)C2)nn1 ZINC001267583660 837852695 /nfs/dbraw/zinc/85/26/95/837852695.db2.gz QMYUBYUIVZBRNA-CYBMUJFWSA-N 1 1 334.424 0.042 20 30 ECEDMO CC(C)c1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C2)on1 ZINC001267589148 837874769 /nfs/dbraw/zinc/87/47/69/837874769.db2.gz HFWCOIBWKXTQKY-ZDUSSCGKSA-N 1 1 347.419 0.832 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC001267592257 837883658 /nfs/dbraw/zinc/88/36/58/837883658.db2.gz QKVNNNRXSOVUTN-KBPBESRZSA-N 1 1 331.420 0.561 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cccc2)C1 ZINC001267592116 837885526 /nfs/dbraw/zinc/88/55/26/837885526.db2.gz NZLFGBMFENXJMV-SJORKVTESA-N 1 1 344.459 0.796 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC001267593385 837890276 /nfs/dbraw/zinc/89/02/76/837890276.db2.gz JTNZANMRACJVOU-ZDUSSCGKSA-N 1 1 333.436 0.668 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC001267597037 837902774 /nfs/dbraw/zinc/90/27/74/837902774.db2.gz RTCMPXNKZPBPLU-INIZCTEOSA-N 1 1 335.448 0.429 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2cccc(C)n2)CC1 ZINC001267597980 837905342 /nfs/dbraw/zinc/90/53/42/837905342.db2.gz OYBMHCQMHVTCEI-UHFFFAOYSA-N 1 1 342.443 0.923 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001267598941 837910144 /nfs/dbraw/zinc/91/01/44/837910144.db2.gz WLKMYDUCYHMIPE-UHFFFAOYSA-N 1 1 341.415 0.420 20 30 ECEDMO CCC[C@H](OC)C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267599842 837914655 /nfs/dbraw/zinc/91/46/55/837914655.db2.gz FAQBFYNAJGJGRB-HNNXBMFYSA-N 1 1 338.452 0.612 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001267615295 837995516 /nfs/dbraw/zinc/99/55/16/837995516.db2.gz LRKJCUIUCIJKIG-DZGCQCFKSA-N 1 1 338.452 0.174 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001267619563 838052974 /nfs/dbraw/zinc/05/29/74/838052974.db2.gz SEBBGEXUHFZQHC-GFCCVEGCSA-N 1 1 349.353 0.285 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001267619563 838052987 /nfs/dbraw/zinc/05/29/87/838052987.db2.gz SEBBGEXUHFZQHC-GFCCVEGCSA-N 1 1 349.353 0.285 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001267624829 838073077 /nfs/dbraw/zinc/07/30/77/838073077.db2.gz DCUMWACIYSUSTF-CABCVRRESA-N 1 1 328.416 0.613 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001267624831 838073543 /nfs/dbraw/zinc/07/35/43/838073543.db2.gz DCUMWACIYSUSTF-GJZGRUSLSA-N 1 1 328.416 0.613 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 ZINC001267634353 838102215 /nfs/dbraw/zinc/10/22/15/838102215.db2.gz SPJPXBBHCGNXOL-ZDUSSCGKSA-N 1 1 336.392 0.705 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)COCc2nccn2C)C1 ZINC001267657962 838169821 /nfs/dbraw/zinc/16/98/21/838169821.db2.gz IUSKHSAHAYBRQQ-INIZCTEOSA-N 1 1 348.447 0.367 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2csc(=O)[nH]2)C1 ZINC001267668736 838200778 /nfs/dbraw/zinc/20/07/78/838200778.db2.gz BQWMOGWCTQFLBK-NSHDSACASA-N 1 1 338.433 0.545 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2csc(=O)[nH]2)C1 ZINC001267668735 838200824 /nfs/dbraw/zinc/20/08/24/838200824.db2.gz BQWMOGWCTQFLBK-LLVKDONJSA-N 1 1 338.433 0.545 20 30 ECEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1CN(CC(=O)NCC#N)C1 ZINC001267682957 838242627 /nfs/dbraw/zinc/24/26/27/838242627.db2.gz FXGJYVKNFWDEHQ-ZDUSSCGKSA-N 1 1 346.435 0.084 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(C)C)no2)C1 ZINC001267690457 838260648 /nfs/dbraw/zinc/26/06/48/838260648.db2.gz OELLNQSEHSRRDP-AWEZNQCLSA-N 1 1 346.431 0.941 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)Cc3cccnc3C)C2)C1=O ZINC001267692965 838271610 /nfs/dbraw/zinc/27/16/10/838271610.db2.gz PEBVDNJBBFJLMY-QGZVFWFLSA-N 1 1 342.443 0.767 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001267703054 838300970 /nfs/dbraw/zinc/30/09/70/838300970.db2.gz LHSPDVUOULGMGI-CQSZACIVSA-N 1 1 333.436 0.045 20 30 ECEDMO CC(=O)NCCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)(C)C ZINC001267706256 838308564 /nfs/dbraw/zinc/30/85/64/838308564.db2.gz HFEIJELFVKTGTF-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO CC(=O)NCCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)(C)C ZINC001267706256 838308573 /nfs/dbraw/zinc/30/85/73/838308573.db2.gz HFEIJELFVKTGTF-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001267708147 838315469 /nfs/dbraw/zinc/31/54/69/838315469.db2.gz JXMYJPOMDHGWRJ-UONOGXRCSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)C(C)(F)F)CC1 ZINC001267714227 838339703 /nfs/dbraw/zinc/33/97/03/838339703.db2.gz AQMGWJWPNREAIQ-GFCCVEGCSA-N 1 1 329.391 0.950 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001267719824 838373227 /nfs/dbraw/zinc/37/32/27/838373227.db2.gz PRIIDXGNBRDPGX-LEJUKPKUSA-N 1 1 348.447 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001267719824 838373235 /nfs/dbraw/zinc/37/32/35/838373235.db2.gz PRIIDXGNBRDPGX-LEJUKPKUSA-N 1 1 348.447 0.934 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC3(COC)CC3)C2)C1=O ZINC001267724400 838386402 /nfs/dbraw/zinc/38/64/02/838386402.db2.gz UQYHOELPWNVQQE-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC3(COC)CC3)C2)C1=O ZINC001267724400 838386405 /nfs/dbraw/zinc/38/64/05/838386405.db2.gz UQYHOELPWNVQQE-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc3cccnn32)C1 ZINC001267731086 838418337 /nfs/dbraw/zinc/41/83/37/838418337.db2.gz NCIONUFTWVMCKK-KGLIPLIRSA-N 1 1 339.399 0.276 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc3cccnn32)C1 ZINC001267731086 838418344 /nfs/dbraw/zinc/41/83/44/838418344.db2.gz NCIONUFTWVMCKK-KGLIPLIRSA-N 1 1 339.399 0.276 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001267731329 838419224 /nfs/dbraw/zinc/41/92/24/838419224.db2.gz XYHAMVJIPOTVTK-HOCLYGCPSA-N 1 1 333.436 0.582 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001267731329 838419228 /nfs/dbraw/zinc/41/92/28/838419228.db2.gz XYHAMVJIPOTVTK-HOCLYGCPSA-N 1 1 333.436 0.582 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001267734290 838426910 /nfs/dbraw/zinc/42/69/10/838426910.db2.gz BRWBQTOCVDHUTJ-AWEZNQCLSA-N 1 1 340.383 0.789 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001267734290 838426915 /nfs/dbraw/zinc/42/69/15/838426915.db2.gz BRWBQTOCVDHUTJ-AWEZNQCLSA-N 1 1 340.383 0.789 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@H](COC)OC)CC1 ZINC001267745786 838451665 /nfs/dbraw/zinc/45/16/65/838451665.db2.gz FQKUZENBQBMBJH-INIZCTEOSA-N 1 1 326.437 0.468 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC)c2)C1 ZINC001267758766 838484507 /nfs/dbraw/zinc/48/45/07/838484507.db2.gz DOURIBGPYGBBAH-UKRRQHHQSA-N 1 1 331.420 0.187 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC)c2)C1 ZINC001267758766 838484512 /nfs/dbraw/zinc/48/45/12/838484512.db2.gz DOURIBGPYGBBAH-UKRRQHHQSA-N 1 1 331.420 0.187 20 30 ECEDMO C=CCOCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001267761005 838488597 /nfs/dbraw/zinc/48/85/97/838488597.db2.gz ZMHJEWFWMVEUES-HZPDHXFCSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCOCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001267761005 838488602 /nfs/dbraw/zinc/48/86/02/838488602.db2.gz ZMHJEWFWMVEUES-HZPDHXFCSA-N 1 1 335.448 0.875 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001267768001 838506839 /nfs/dbraw/zinc/50/68/39/838506839.db2.gz RVFOXBFQYRAVKF-AWEZNQCLSA-N 1 1 333.436 0.829 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001267768001 838506844 /nfs/dbraw/zinc/50/68/44/838506844.db2.gz RVFOXBFQYRAVKF-AWEZNQCLSA-N 1 1 333.436 0.829 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(C)c2CC)C1 ZINC001267771666 838522108 /nfs/dbraw/zinc/52/21/08/838522108.db2.gz LENVNSWEUJJDLL-GJZGRUSLSA-N 1 1 344.459 0.872 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccn(C)c2CC)C1 ZINC001267771666 838522114 /nfs/dbraw/zinc/52/21/14/838522114.db2.gz LENVNSWEUJJDLL-GJZGRUSLSA-N 1 1 344.459 0.872 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C(F)F)C1 ZINC001267771903 838522989 /nfs/dbraw/zinc/52/29/89/838522989.db2.gz PIVGGXPZNKJMPY-RYUDHWBXSA-N 1 1 329.391 0.948 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C(F)F)C1 ZINC001267771903 838522992 /nfs/dbraw/zinc/52/29/92/838522992.db2.gz PIVGGXPZNKJMPY-RYUDHWBXSA-N 1 1 329.391 0.948 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCCn2ccnc2)C1 ZINC001267779517 838548847 /nfs/dbraw/zinc/54/88/47/838548847.db2.gz RTFNEVHJBLJGAG-OAHLLOKOSA-N 1 1 333.436 0.498 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2ccnc2)C1 ZINC001267779517 838548852 /nfs/dbraw/zinc/54/88/52/838548852.db2.gz RTFNEVHJBLJGAG-OAHLLOKOSA-N 1 1 333.436 0.498 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2nccn2CC)C1 ZINC001267784599 838559731 /nfs/dbraw/zinc/55/97/31/838559731.db2.gz QWPOCYRLYRRXSV-LSDHHAIUSA-N 1 1 345.447 0.577 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2nccn2CC)C1 ZINC001267784599 838559733 /nfs/dbraw/zinc/55/97/33/838559733.db2.gz QWPOCYRLYRRXSV-LSDHHAIUSA-N 1 1 345.447 0.577 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC001267785175 838562394 /nfs/dbraw/zinc/56/23/94/838562394.db2.gz TZBOTFQNDOQEEN-WMLDXEAASA-N 1 1 325.453 0.763 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001267785175 838562399 /nfs/dbraw/zinc/56/23/99/838562399.db2.gz TZBOTFQNDOQEEN-WMLDXEAASA-N 1 1 325.453 0.763 20 30 ECEDMO CCN(C(=O)c1ccnc2n[nH]nc21)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267787484 838565263 /nfs/dbraw/zinc/56/52/63/838565263.db2.gz CTZSNAUFMWJXNA-CYBMUJFWSA-N 1 1 342.403 0.539 20 30 ECEDMO CCN(C(=O)c1ccnc2n[nH]nc21)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267787484 838565268 /nfs/dbraw/zinc/56/52/68/838565268.db2.gz CTZSNAUFMWJXNA-CYBMUJFWSA-N 1 1 342.403 0.539 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(CC)on2)C1 ZINC001267790763 838571165 /nfs/dbraw/zinc/57/11/65/838571165.db2.gz SRZVMIIHPWJCDM-KGLIPLIRSA-N 1 1 346.431 0.911 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cc(CC)on2)C1 ZINC001267790763 838571173 /nfs/dbraw/zinc/57/11/73/838571173.db2.gz SRZVMIIHPWJCDM-KGLIPLIRSA-N 1 1 346.431 0.911 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CCCN2C)CCCC1 ZINC001267834593 838627713 /nfs/dbraw/zinc/62/77/13/838627713.db2.gz WTJXDAIKDOJVMX-HUUCEWRRSA-N 1 1 334.464 0.237 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3C)C2)nn1 ZINC001105159242 838696756 /nfs/dbraw/zinc/69/67/56/838696756.db2.gz HVKFJTOUXWJTMY-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001267971033 838892811 /nfs/dbraw/zinc/89/28/11/838892811.db2.gz XBBALUJELQZYAF-SJORKVTESA-N 1 1 335.448 0.688 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001267971033 838892820 /nfs/dbraw/zinc/89/28/20/838892820.db2.gz XBBALUJELQZYAF-SJORKVTESA-N 1 1 335.448 0.688 20 30 ECEDMO C#CCOCCC(=O)N1CCC2(CC[N@H+](CC(=O)NCCC)C2)CC1 ZINC001267973289 838904986 /nfs/dbraw/zinc/90/49/86/838904986.db2.gz LDXSYSXSAIAGSM-UHFFFAOYSA-N 1 1 349.475 0.867 20 30 ECEDMO COCC#CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1cncn1C)CC2 ZINC001267974085 838910135 /nfs/dbraw/zinc/91/01/35/838910135.db2.gz MHBUWPSMTPFULW-UHFFFAOYSA-N 1 1 344.459 0.927 20 30 ECEDMO CCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001408885609 838988031 /nfs/dbraw/zinc/98/80/31/838988031.db2.gz UMLKHKNPMWSGEZ-CABCVRRESA-N 1 1 338.452 0.610 20 30 ECEDMO CCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001408885609 838988032 /nfs/dbraw/zinc/98/80/32/838988032.db2.gz UMLKHKNPMWSGEZ-CABCVRRESA-N 1 1 338.452 0.610 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001299167492 839002309 /nfs/dbraw/zinc/00/23/09/839002309.db2.gz RHVSYOXQVMEKKF-INIZCTEOSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)[C@H](C)OC)[C@H]2C1 ZINC000975776402 839007626 /nfs/dbraw/zinc/00/76/26/839007626.db2.gz WOIGYNNNTGLZLN-QAETUUGQSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)[C@H](C)OC)[C@H]2C1 ZINC000975776402 839007630 /nfs/dbraw/zinc/00/76/30/839007630.db2.gz WOIGYNNNTGLZLN-QAETUUGQSA-N 1 1 347.459 0.568 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H](CNC(=O)CCCN2C(=O)CCC2=O)C1 ZINC001268024688 839014834 /nfs/dbraw/zinc/01/48/34/839014834.db2.gz KFJHEGTUQGIBFP-CQSZACIVSA-N 1 1 337.420 0.309 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H](CNC(=O)CCCN2C(=O)CCC2=O)C1 ZINC001268024688 839014836 /nfs/dbraw/zinc/01/48/36/839014836.db2.gz KFJHEGTUQGIBFP-CQSZACIVSA-N 1 1 337.420 0.309 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(CC#CCOC)CCO1 ZINC001268028217 839039696 /nfs/dbraw/zinc/03/96/96/839039696.db2.gz AQMIJRRMJVHPPE-SJORKVTESA-N 1 1 337.464 0.328 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCO1)CC2 ZINC001268042503 839187736 /nfs/dbraw/zinc/18/77/36/839187736.db2.gz RIRRIYSAQLAHGJ-HUUCEWRRSA-N 1 1 333.432 0.228 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)c1ccnc(OC)n1)CC2 ZINC001268045263 839207360 /nfs/dbraw/zinc/20/73/60/839207360.db2.gz WXFATFWOKXWVFX-UHFFFAOYSA-N 1 1 344.415 0.673 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)c1[nH]cnc1C)CC2 ZINC001268047467 839218026 /nfs/dbraw/zinc/21/80/26/839218026.db2.gz DANMDHMXFMRMRB-CQSZACIVSA-N 1 1 345.447 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1nc(CC)no1 ZINC001268066849 839254710 /nfs/dbraw/zinc/25/47/10/839254710.db2.gz CJSYCXBEWNITOY-KGLIPLIRSA-N 1 1 333.436 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1nc(CC)no1 ZINC001268066849 839254721 /nfs/dbraw/zinc/25/47/21/839254721.db2.gz CJSYCXBEWNITOY-KGLIPLIRSA-N 1 1 333.436 0.666 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1C#N ZINC000266518678 248342193 /nfs/dbraw/zinc/34/21/93/248342193.db2.gz ACHZILIIKWRDDW-ZDUSSCGKSA-N 1 1 329.404 0.167 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001077940202 781974881 /nfs/dbraw/zinc/97/48/81/781974881.db2.gz LQWMQYBPLGLOQT-FRFSOERESA-N 1 1 326.400 0.782 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001077940202 781974885 /nfs/dbraw/zinc/97/48/85/781974885.db2.gz LQWMQYBPLGLOQT-FRFSOERESA-N 1 1 326.400 0.782 20 30 ECEDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000346843820 285068729 /nfs/dbraw/zinc/06/87/29/285068729.db2.gz XKIQLPVBKZWUAY-ZIAGYGMSSA-N 1 1 336.436 0.412 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000413506674 208337961 /nfs/dbraw/zinc/33/79/61/208337961.db2.gz CULHCOHVAWNATB-MRXNPFEDSA-N 1 1 344.415 0.847 20 30 ECEDMO C=C[C@@H](CO)NC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000292653104 254578959 /nfs/dbraw/zinc/57/89/59/254578959.db2.gz YQCNNNUYQLHBSU-HNNXBMFYSA-N 1 1 336.411 0.794 20 30 ECEDMO CS(=O)(=O)N1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000328665998 254589957 /nfs/dbraw/zinc/58/99/57/254589957.db2.gz ZQOALSNUFKTBAP-GFCCVEGCSA-N 1 1 344.481 0.398 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000338732143 254671601 /nfs/dbraw/zinc/67/16/01/254671601.db2.gz VWNLWSMVSAYQFW-UHFFFAOYSA-N 1 1 348.451 0.211 20 30 ECEDMO CCN(CC)S(=O)(=O)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000330862442 254644399 /nfs/dbraw/zinc/64/43/99/254644399.db2.gz VULSDGALPKCXAJ-KGLIPLIRSA-N 1 1 346.497 0.741 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337785436 254669690 /nfs/dbraw/zinc/66/96/90/254669690.db2.gz WUUFCLAHFPXREP-HUUCEWRRSA-N 1 1 344.481 0.509 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@@H](C(C)C)[NH+]2CCOCC2)C1=O ZINC000348495520 254703598 /nfs/dbraw/zinc/70/35/98/254703598.db2.gz DPACTNXMZZRGOF-KGLIPLIRSA-N 1 1 325.409 0.466 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)c(OC)c1 ZINC000340224934 254676261 /nfs/dbraw/zinc/67/62/61/254676261.db2.gz DMDNKOITGMPXHR-HUUCEWRRSA-N 1 1 334.416 0.984 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@](C)(O)CNC(=O)OC(C)(C)C)C1=O ZINC000496632684 255116477 /nfs/dbraw/zinc/11/64/77/255116477.db2.gz MLWZGGJNTRDFLW-CXAGYDPISA-N 1 1 341.452 0.981 20 30 ECEDMO CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCC[NH+]1CCOCC1 ZINC000540967698 420629333 /nfs/dbraw/zinc/62/93/33/420629333.db2.gz OHUHSQWLUPHSRO-UHFFFAOYSA-N 1 1 349.439 0.160 20 30 ECEDMO C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000611582071 420653162 /nfs/dbraw/zinc/65/31/62/420653162.db2.gz BOZIQVVHYTTWJG-SMDDNHRTSA-N 1 1 349.439 0.157 20 30 ECEDMO C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000611582071 420653167 /nfs/dbraw/zinc/65/31/67/420653167.db2.gz BOZIQVVHYTTWJG-SMDDNHRTSA-N 1 1 349.439 0.157 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000491165457 421165354 /nfs/dbraw/zinc/16/53/54/421165354.db2.gz LEGHOGBYRPVFCS-UHFFFAOYSA-N 1 1 330.392 0.345 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2CCC([N@@H+](C)CCO)CC2)c1C#N ZINC000269671933 263196211 /nfs/dbraw/zinc/19/62/11/263196211.db2.gz OBVVCTFDINMQSX-UHFFFAOYSA-N 1 1 337.445 0.944 20 30 ECEDMO C[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccc(C#N)cc1 ZINC000271686737 263323104 /nfs/dbraw/zinc/32/31/04/263323104.db2.gz QLNFSRNHSYBCFC-SNVBAGLBSA-N 1 1 341.371 0.071 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000284371574 264205411 /nfs/dbraw/zinc/20/54/11/264205411.db2.gz RIIPIKWSDVRRPU-CVEARBPZSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000284428544 264212409 /nfs/dbraw/zinc/21/24/09/264212409.db2.gz YJGMKMIJPSGTDZ-UONOGXRCSA-N 1 1 344.371 0.854 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000284428544 264212412 /nfs/dbraw/zinc/21/24/12/264212412.db2.gz YJGMKMIJPSGTDZ-UONOGXRCSA-N 1 1 344.371 0.854 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000377751415 270007664 /nfs/dbraw/zinc/00/76/64/270007664.db2.gz XHXVLGCJTQURGA-MRXNPFEDSA-N 1 1 348.472 0.959 20 30 ECEDMO Cn1cc[nH+]c1CC1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 ZINC000376521238 270007846 /nfs/dbraw/zinc/00/78/46/270007846.db2.gz ZCENYOIJOTYJJO-UHFFFAOYSA-N 1 1 342.407 0.548 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000528809214 270008095 /nfs/dbraw/zinc/00/80/95/270008095.db2.gz BXDAASOJVIJYAA-ZDUSSCGKSA-N 1 1 325.376 0.591 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cc2noc(C)c2C#N)CC1 ZINC000354431071 266148906 /nfs/dbraw/zinc/14/89/06/266148906.db2.gz XNWOZHLLDRYYAK-CYBMUJFWSA-N 1 1 333.436 0.787 20 30 ECEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCn1cnc(C#N)n1 ZINC000287934067 266530626 /nfs/dbraw/zinc/53/06/26/266530626.db2.gz SBXNCHWHKDOADM-UHFFFAOYSA-N 1 1 349.439 0.150 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@H](C)[N@H+]1C ZINC000293373683 267037114 /nfs/dbraw/zinc/03/71/14/267037114.db2.gz FILRRMLCCOTCSG-TXEJJXNPSA-N 1 1 346.435 0.999 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@H](C)[N@@H+]1C ZINC000293373683 267037115 /nfs/dbraw/zinc/03/71/15/267037115.db2.gz FILRRMLCCOTCSG-TXEJJXNPSA-N 1 1 346.435 0.999 20 30 ECEDMO C[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CC[NH+](C)CC1 ZINC000355309866 267127403 /nfs/dbraw/zinc/12/74/03/267127403.db2.gz NWCZWUPJBQUZTB-OAHLLOKOSA-N 1 1 342.447 0.238 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366306840 267140914 /nfs/dbraw/zinc/14/09/14/267140914.db2.gz GGSSFPWOUCJVDA-RTXFEEFZSA-N 1 1 326.356 0.480 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366306840 267140916 /nfs/dbraw/zinc/14/09/16/267140916.db2.gz GGSSFPWOUCJVDA-RTXFEEFZSA-N 1 1 326.356 0.480 20 30 ECEDMO C[C@H](CNC(=O)COc1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000298989495 267158913 /nfs/dbraw/zinc/15/89/13/267158913.db2.gz HVHHPKFAIZTBRJ-OAHLLOKOSA-N 1 1 330.432 0.937 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1CC[N@H+]1CCCOCC1 ZINC000361319563 267240200 /nfs/dbraw/zinc/24/02/00/267240200.db2.gz WGAMDMZTFNGONS-HNNXBMFYSA-N 1 1 330.436 0.581 20 30 ECEDMO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000332485857 267241382 /nfs/dbraw/zinc/24/13/82/267241382.db2.gz XVYIEPKXSLTHSN-JSGCOSHPSA-N 1 1 327.388 0.977 20 30 ECEDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000332485857 267241387 /nfs/dbraw/zinc/24/13/87/267241387.db2.gz XVYIEPKXSLTHSN-JSGCOSHPSA-N 1 1 327.388 0.977 20 30 ECEDMO COC(=O)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCOCC1 ZINC000525268849 267363102 /nfs/dbraw/zinc/36/31/02/267363102.db2.gz CICZTSJHFFFHPX-INIZCTEOSA-N 1 1 348.399 0.952 20 30 ECEDMO COC(=O)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCOCC1 ZINC000525268849 267363103 /nfs/dbraw/zinc/36/31/03/267363103.db2.gz CICZTSJHFFFHPX-INIZCTEOSA-N 1 1 348.399 0.952 20 30 ECEDMO N#Cc1cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1F ZINC000321505515 268016869 /nfs/dbraw/zinc/01/68/69/268016869.db2.gz BDURDXGFXVOOCD-OLZOCXBDSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000341852549 268057141 /nfs/dbraw/zinc/05/71/41/268057141.db2.gz OCKVPNAHUSYNOX-INIZCTEOSA-N 1 1 328.416 0.804 20 30 ECEDMO Cn1ncc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1C#N ZINC000527245415 268132378 /nfs/dbraw/zinc/13/23/78/268132378.db2.gz YFYNONUSCJPXDY-CQSZACIVSA-N 1 1 330.436 0.534 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000336888623 268177480 /nfs/dbraw/zinc/17/74/80/268177480.db2.gz KGEMEMKLTMLGIS-INIZCTEOSA-N 1 1 341.415 0.839 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000300708434 268203348 /nfs/dbraw/zinc/20/33/48/268203348.db2.gz XCNDJRKXDRXWEZ-QWRGUYRKSA-N 1 1 327.431 0.761 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000300708434 268203350 /nfs/dbraw/zinc/20/33/50/268203350.db2.gz XCNDJRKXDRXWEZ-QWRGUYRKSA-N 1 1 327.431 0.761 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000358426681 268308138 /nfs/dbraw/zinc/30/81/38/268308138.db2.gz MDIPOQRWYFRGAC-NSHDSACASA-N 1 1 342.446 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000490871935 275382463 /nfs/dbraw/zinc/38/24/63/275382463.db2.gz CZGJVZQYTXSKBZ-CYBMUJFWSA-N 1 1 333.388 0.492 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)n2ncc(C#N)c2N)CC1=O ZINC000247037355 276184141 /nfs/dbraw/zinc/18/41/41/276184141.db2.gz GMISJNQYQUNIBZ-AAEUAGOBSA-N 1 1 330.392 0.310 20 30 ECEDMO CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000330563133 277336225 /nfs/dbraw/zinc/33/62/25/277336225.db2.gz JUTQWYNWKKOSLL-VBQJREDUSA-N 1 1 341.452 0.925 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCCS(=O)(=O)C2)[N@H+](C)C1 ZINC000329181660 277347613 /nfs/dbraw/zinc/34/76/13/277347613.db2.gz NMNFOOPFKBKFCV-AGIUHOORSA-N 1 1 333.454 0.129 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCCS(=O)(=O)C2)[N@@H+](C)C1 ZINC000329181660 277347614 /nfs/dbraw/zinc/34/76/14/277347614.db2.gz NMNFOOPFKBKFCV-AGIUHOORSA-N 1 1 333.454 0.129 20 30 ECEDMO CC(C)[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)N1CCCC1=O ZINC000328757080 279751325 /nfs/dbraw/zinc/75/13/25/279751325.db2.gz UQBMOALQELROLP-INIZCTEOSA-N 1 1 338.452 0.754 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000109819977 289107316 /nfs/dbraw/zinc/10/73/16/289107316.db2.gz REZLKHFTGNTGJZ-AEFFLSMTSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000109819977 289107319 /nfs/dbraw/zinc/10/73/19/289107319.db2.gz REZLKHFTGNTGJZ-AEFFLSMTSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285055921 289257852 /nfs/dbraw/zinc/25/78/52/289257852.db2.gz OIORMUYHGFUNRV-PXAZEXFGSA-N 1 1 348.378 0.383 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285055921 289257854 /nfs/dbraw/zinc/25/78/54/289257854.db2.gz OIORMUYHGFUNRV-PXAZEXFGSA-N 1 1 348.378 0.383 20 30 ECEDMO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)N1CCOCC1 ZINC000329649235 289394345 /nfs/dbraw/zinc/39/43/45/289394345.db2.gz FFSCXPRPXDTSEC-BZUAXINKSA-N 1 1 340.468 0.416 20 30 ECEDMO C[C@H](CNC(=O)N1CCO[C@]2(CCCOC2)C1)C[NH+]1CCOCC1 ZINC000329274929 289394386 /nfs/dbraw/zinc/39/43/86/289394386.db2.gz KOAVJLFXCMMHIC-NVXWUHKLSA-N 1 1 341.452 0.750 20 30 ECEDMO C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[C@@H]1N1CCN(C)CC1 ZINC000330625599 300253329 /nfs/dbraw/zinc/25/33/29/300253329.db2.gz HSDDCGGHMUCMCO-IRXDYDNUSA-N 1 1 335.496 0.706 20 30 ECEDMO C[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[C@@H]1N1CCN(C)CC1 ZINC000330625599 300253333 /nfs/dbraw/zinc/25/33/33/300253333.db2.gz HSDDCGGHMUCMCO-IRXDYDNUSA-N 1 1 335.496 0.706 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)C1CC1 ZINC000009983043 436036963 /nfs/dbraw/zinc/03/69/63/436036963.db2.gz ZKGFABZCTZYMCI-KBXCAEBGSA-N 1 1 348.447 0.366 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000076945337 436218136 /nfs/dbraw/zinc/21/81/36/436218136.db2.gz SPNXETJJKYUTIX-OAHLLOKOSA-N 1 1 337.468 0.090 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000076945337 436218141 /nfs/dbraw/zinc/21/81/41/436218141.db2.gz SPNXETJJKYUTIX-OAHLLOKOSA-N 1 1 337.468 0.090 20 30 ECEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000030968026 436223048 /nfs/dbraw/zinc/22/30/48/436223048.db2.gz JZXQMGGWBJCSQK-OAHLLOKOSA-N 1 1 348.422 0.512 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)C1 ZINC000081370087 436344098 /nfs/dbraw/zinc/34/40/98/436344098.db2.gz ODCRABXJJSADJK-WBVHZDCISA-N 1 1 328.416 0.974 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)C1 ZINC000081370087 436344101 /nfs/dbraw/zinc/34/41/01/436344101.db2.gz ODCRABXJJSADJK-WBVHZDCISA-N 1 1 328.416 0.974 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000079977277 436309763 /nfs/dbraw/zinc/30/97/63/436309763.db2.gz VNEUPFRURWJCKD-AWEZNQCLSA-N 1 1 329.466 0.448 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000079977277 436309767 /nfs/dbraw/zinc/30/97/67/436309767.db2.gz VNEUPFRURWJCKD-AWEZNQCLSA-N 1 1 329.466 0.448 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN(C)CCN1C)N1CCN(c2ccccn2)CC1 ZINC000088695004 436404623 /nfs/dbraw/zinc/40/46/23/436404623.db2.gz KIWKABORQMDYDD-INIZCTEOSA-N 1 1 345.495 0.025 20 30 ECEDMO CC(=O)N1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000091515187 436453007 /nfs/dbraw/zinc/45/30/07/436453007.db2.gz NZCJBIUVUREYEV-QGZVFWFLSA-N 1 1 349.479 0.233 20 30 ECEDMO CC(=O)N1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000091515187 436453011 /nfs/dbraw/zinc/45/30/11/436453011.db2.gz NZCJBIUVUREYEV-QGZVFWFLSA-N 1 1 349.479 0.233 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000052740579 436515624 /nfs/dbraw/zinc/51/56/24/436515624.db2.gz ONOWIZJUDMRZJL-HNNXBMFYSA-N 1 1 344.415 0.751 20 30 ECEDMO C#CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108434083 436617452 /nfs/dbraw/zinc/61/74/52/436617452.db2.gz XOIUNEQLVIXOIL-INIZCTEOSA-N 1 1 328.416 0.816 20 30 ECEDMO C[N@@H+](CCN1CCOCC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000112407367 436633349 /nfs/dbraw/zinc/63/33/49/436633349.db2.gz SUZXWIQJMIADKE-QGZVFWFLSA-N 1 1 333.432 0.756 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CCC([N@@H+](C)CCCO)CC2)nc1 ZINC000115519445 436646910 /nfs/dbraw/zinc/64/69/10/436646910.db2.gz SHZKKHPJFJECPW-UHFFFAOYSA-N 1 1 330.432 0.728 20 30 ECEDMO N#Cc1ccnc(NCCCCN2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000150834893 436691021 /nfs/dbraw/zinc/69/10/21/436691021.db2.gz RALGOMIFXLVEES-UHFFFAOYSA-N 1 1 348.407 0.663 20 30 ECEDMO C#CCCN1CC[NH+](C[C@@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000271952247 436697955 /nfs/dbraw/zinc/69/79/55/436697955.db2.gz BHAFCZFITBPXAX-QGZVFWFLSA-N 1 1 346.427 0.854 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000120295444 436683544 /nfs/dbraw/zinc/68/35/44/436683544.db2.gz YMAHBTWUVGFGQI-LLVKDONJSA-N 1 1 344.341 0.891 20 30 ECEDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC[C@@H]21 ZINC000120337890 436685163 /nfs/dbraw/zinc/68/51/63/436685163.db2.gz GVFINYSAGRYCFZ-KBPBESRZSA-N 1 1 344.419 0.678 20 30 ECEDMO C=CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000120308973 436685247 /nfs/dbraw/zinc/68/52/47/436685247.db2.gz ZBNWDDQWEBBQRU-AWEZNQCLSA-N 1 1 329.466 0.378 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000272846690 436722137 /nfs/dbraw/zinc/72/21/37/436722137.db2.gz OBTNCFMFNPBNBJ-GFCCVEGCSA-N 1 1 338.433 0.747 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000272884875 436724728 /nfs/dbraw/zinc/72/47/28/436724728.db2.gz IAKGCNRJQYAIIB-AWEZNQCLSA-N 1 1 338.415 0.949 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N(C)CCCn1cc[nH+]c1C ZINC000272925201 436728346 /nfs/dbraw/zinc/72/83/46/436728346.db2.gz GKIJIEGEDZQGPK-UHFFFAOYSA-N 1 1 328.438 0.824 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2nc(C)nc3c2CCCC3)CC1 ZINC000272926059 436728476 /nfs/dbraw/zinc/72/84/76/436728476.db2.gz ULYJDKAUUWXRLT-UHFFFAOYSA-N 1 1 341.459 0.925 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2nc(C)nc3c2CCCC3)CC1 ZINC000272926059 436728479 /nfs/dbraw/zinc/72/84/79/436728479.db2.gz ULYJDKAUUWXRLT-UHFFFAOYSA-N 1 1 341.459 0.925 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000273448223 436755008 /nfs/dbraw/zinc/75/50/08/436755008.db2.gz XLRVHAOPSCTBKZ-HOTGVXAUSA-N 1 1 347.463 0.828 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121464076 436718411 /nfs/dbraw/zinc/71/84/11/436718411.db2.gz VIDLOZCNSRCSGL-CYBMUJFWSA-N 1 1 344.481 0.350 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000246275826 436777315 /nfs/dbraw/zinc/77/73/15/436777315.db2.gz ABSITWOBISKECQ-HZPDHXFCSA-N 1 1 327.469 0.424 20 30 ECEDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCO[C@@H](C#N)C1 ZINC000246849491 436787508 /nfs/dbraw/zinc/78/75/08/436787508.db2.gz ZZTFJDDCIGXIFM-NJAFHUGGSA-N 1 1 342.443 0.990 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000159266390 436856638 /nfs/dbraw/zinc/85/66/38/436856638.db2.gz WYPQGWGAKAUJSB-OCCSQVGLSA-N 1 1 334.420 0.474 20 30 ECEDMO CCN(CCC#N)C(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159361437 436856944 /nfs/dbraw/zinc/85/69/44/436856944.db2.gz AEKZQSZCVWYGRG-OAHLLOKOSA-N 1 1 335.452 0.163 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000293333180 436868115 /nfs/dbraw/zinc/86/81/15/436868115.db2.gz JOTFAWUUKRXSFF-UHFFFAOYSA-N 1 1 330.388 0.655 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000293869913 436915337 /nfs/dbraw/zinc/91/53/37/436915337.db2.gz BTRGYXWFPANJNO-ZDUSSCGKSA-N 1 1 346.387 0.784 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 ZINC000163483884 436924298 /nfs/dbraw/zinc/92/42/98/436924298.db2.gz RBHHOEJXMPMLHN-DZGCQCFKSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 ZINC000163483884 436924300 /nfs/dbraw/zinc/92/43/00/436924300.db2.gz RBHHOEJXMPMLHN-DZGCQCFKSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000293493136 436883900 /nfs/dbraw/zinc/88/39/00/436883900.db2.gz WNBJHXTZWLGOHP-UHFFFAOYSA-N 1 1 330.388 0.104 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000293536404 436886004 /nfs/dbraw/zinc/88/60/04/436886004.db2.gz XLKIVACRXCWDOV-INIZCTEOSA-N 1 1 343.431 0.694 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)NC[C@@](C)(O)c1cc(C)oc1C ZINC000261928504 436896283 /nfs/dbraw/zinc/89/62/83/436896283.db2.gz JJTNZKAPKYEEHW-MAUKXSAKSA-N 1 1 349.479 0.269 20 30 ECEDMO CC[NH+]=C(NCc1cn[nH]c1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261956681 436898075 /nfs/dbraw/zinc/89/80/75/436898075.db2.gz IYLGBBFVZJDUIQ-UHFFFAOYSA-N 1 1 327.454 0.693 20 30 ECEDMO COc1ccc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1C#N ZINC000135061207 436908275 /nfs/dbraw/zinc/90/82/75/436908275.db2.gz UNJXPYMXVJCOHP-ZDUSSCGKSA-N 1 1 338.433 0.572 20 30 ECEDMO COc1ccc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1C#N ZINC000135061207 436908278 /nfs/dbraw/zinc/90/82/78/436908278.db2.gz UNJXPYMXVJCOHP-ZDUSSCGKSA-N 1 1 338.433 0.572 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295454152 436969139 /nfs/dbraw/zinc/96/91/39/436969139.db2.gz FGFVAWZHGADSTA-HZSPNIEDSA-N 1 1 344.415 0.668 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295454152 436969140 /nfs/dbraw/zinc/96/91/40/436969140.db2.gz FGFVAWZHGADSTA-HZSPNIEDSA-N 1 1 344.415 0.668 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000295478535 436969169 /nfs/dbraw/zinc/96/91/69/436969169.db2.gz ZNMANNXDHOOZIY-UHFFFAOYSA-N 1 1 327.381 0.432 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000294044180 436930148 /nfs/dbraw/zinc/93/01/48/436930148.db2.gz STJUIZQAVYFMGH-UHFFFAOYSA-N 1 1 341.433 0.523 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCc1c(C)nc2ncnn2c1C ZINC000294087776 436933663 /nfs/dbraw/zinc/93/36/63/436933663.db2.gz XIHFCPRCHJMYFQ-UHFFFAOYSA-N 1 1 328.420 0.745 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2c(C)nn(C)c2-n2cccn2)CC1 ZINC000275347792 436957709 /nfs/dbraw/zinc/95/77/09/436957709.db2.gz RWKVHZVNBVHJQP-UHFFFAOYSA-N 1 1 326.404 0.695 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCSC[C@H]3C)CC2)o1 ZINC000172588977 437021224 /nfs/dbraw/zinc/02/12/24/437021224.db2.gz AEXHJCNLQHIXGG-GFCCVEGCSA-N 1 1 349.460 0.941 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCSC[C@H]3C)CC2)o1 ZINC000172588977 437021226 /nfs/dbraw/zinc/02/12/26/437021226.db2.gz AEXHJCNLQHIXGG-GFCCVEGCSA-N 1 1 349.460 0.941 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296095979 436983419 /nfs/dbraw/zinc/98/34/19/436983419.db2.gz GCVSDTXBGFVUEE-AWEZNQCLSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296095979 436983422 /nfs/dbraw/zinc/98/34/22/436983422.db2.gz GCVSDTXBGFVUEE-AWEZNQCLSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)nc1 ZINC000171883354 436991637 /nfs/dbraw/zinc/99/16/37/436991637.db2.gz ARDJHRQJXHSTIE-HNNXBMFYSA-N 1 1 329.404 0.059 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC(=O)Nc1cccc(C#C)c1 ZINC000296794052 436999098 /nfs/dbraw/zinc/99/90/98/436999098.db2.gz HTGDGBVALCTVQB-UHFFFAOYSA-N 1 1 326.400 0.861 20 30 ECEDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000285241324 437077291 /nfs/dbraw/zinc/07/72/91/437077291.db2.gz BTIBNJGODRLDHH-HZPDHXFCSA-N 1 1 337.445 0.947 20 30 ECEDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000285241324 437077292 /nfs/dbraw/zinc/07/72/92/437077292.db2.gz BTIBNJGODRLDHH-HZPDHXFCSA-N 1 1 337.445 0.947 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000286451849 437090727 /nfs/dbraw/zinc/09/07/27/437090727.db2.gz OAIRCGMRTKKPLX-CQSZACIVSA-N 1 1 338.452 0.080 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000286468240 437091324 /nfs/dbraw/zinc/09/13/24/437091324.db2.gz KLUUNBJXNDEUSB-ZIAGYGMSSA-N 1 1 325.478 0.965 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)nc1 ZINC000176426209 437141991 /nfs/dbraw/zinc/14/19/91/437141991.db2.gz XGUSHEPCFMURAP-MRXNPFEDSA-N 1 1 346.431 0.632 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000304720544 437160364 /nfs/dbraw/zinc/16/03/64/437160364.db2.gz OKFOWMDQMQLAPW-NUJGCVRESA-N 1 1 336.480 0.962 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)N1CCN(c2ncccn2)CC1 ZINC000331836082 437165302 /nfs/dbraw/zinc/16/53/02/437165302.db2.gz BWIACVXAEUDOFA-KKUMJFAQSA-N 1 1 328.420 0.796 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000178581016 437218182 /nfs/dbraw/zinc/21/81/82/437218182.db2.gz IAGQXMWPUHVKIH-CQSZACIVSA-N 1 1 329.404 0.275 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2C)C1 ZINC000266682184 437228883 /nfs/dbraw/zinc/22/88/83/437228883.db2.gz UBJNQDWRRMWZFT-CQSZACIVSA-N 1 1 330.388 0.642 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328728763 437257440 /nfs/dbraw/zinc/25/74/40/437257440.db2.gz GZNVFTODWVTOFS-KFWWJZLASA-N 1 1 326.441 0.026 20 30 ECEDMO O=C(NCCN1CCCS1(=O)=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328762726 437260954 /nfs/dbraw/zinc/26/09/54/437260954.db2.gz ZLZFVEADPQPTGB-CHWSQXEVSA-N 1 1 330.454 0.152 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000336881452 437305212 /nfs/dbraw/zinc/30/52/12/437305212.db2.gz BAXIMRCUDHLSPA-UHFFFAOYSA-N 1 1 326.426 0.022 20 30 ECEDMO C[N@@H+](CCCNS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CCCCC1 ZINC000336912392 437309895 /nfs/dbraw/zinc/30/98/95/437309895.db2.gz JZVGFJDIUYQVHW-HNNXBMFYSA-N 1 1 344.481 0.700 20 30 ECEDMO CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000329073551 437312707 /nfs/dbraw/zinc/31/27/07/437312707.db2.gz AXQUSNRYSHCBFV-AGIUHOORSA-N 1 1 338.412 0.120 20 30 ECEDMO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000278009146 437271696 /nfs/dbraw/zinc/27/16/96/437271696.db2.gz BGILAXZUKGPCGO-ZBFHGGJFSA-N 1 1 334.420 0.488 20 30 ECEDMO CCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000328852068 437272609 /nfs/dbraw/zinc/27/26/09/437272609.db2.gz ZYGDBMXTWCZBGA-ZDUSSCGKSA-N 1 1 344.481 0.541 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000278041293 437274428 /nfs/dbraw/zinc/27/44/28/437274428.db2.gz CLDAINKLBDWCOC-BBWFWOEESA-N 1 1 340.464 0.921 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCOC[C@@H]2c2ncnn2C)C1 ZINC000328893661 437281051 /nfs/dbraw/zinc/28/10/51/437281051.db2.gz UNCHQTXYSJJXEK-ZIAGYGMSSA-N 1 1 336.440 0.834 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCN2CCCS2(=O)=O)C[C@H]1C ZINC000328955122 437291766 /nfs/dbraw/zinc/29/17/66/437291766.db2.gz ITWBIATWYJAJJE-OLZOCXBDSA-N 1 1 332.470 0.350 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CCCOC1 ZINC000329241668 437340315 /nfs/dbraw/zinc/34/03/15/437340315.db2.gz RWHPFDRPEJJABD-CABCVRRESA-N 1 1 339.436 0.835 20 30 ECEDMO C[C@H](C#N)CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000182421793 437348054 /nfs/dbraw/zinc/34/80/54/437348054.db2.gz JWYMLBRXQQVZSR-CQSZACIVSA-N 1 1 331.424 0.448 20 30 ECEDMO CNC(=O)[C@]1(C)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000288782133 437354435 /nfs/dbraw/zinc/35/44/35/437354435.db2.gz BUMBLZIYWPRBGZ-OAHLLOKOSA-N 1 1 336.417 0.185 20 30 ECEDMO CNC(=O)[C@]1(C)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000288782133 437354438 /nfs/dbraw/zinc/35/44/38/437354438.db2.gz BUMBLZIYWPRBGZ-OAHLLOKOSA-N 1 1 336.417 0.185 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000182899142 437367600 /nfs/dbraw/zinc/36/76/00/437367600.db2.gz DWVAQLVKUMIULX-DLBZAZTESA-N 1 1 344.415 0.687 20 30 ECEDMO CC(=O)N1CCC(CNC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000329459789 437370591 /nfs/dbraw/zinc/37/05/91/437370591.db2.gz RTXFPKFNZKTSNN-UHFFFAOYSA-N 1 1 328.482 0.797 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000183061187 437372939 /nfs/dbraw/zinc/37/29/39/437372939.db2.gz MSTQXPHJRVCGQX-UONOGXRCSA-N 1 1 334.445 0.524 20 30 ECEDMO C=CCNC(=O)CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181702498 437328819 /nfs/dbraw/zinc/32/88/19/437328819.db2.gz XZODQEKSOBKOQV-MRXNPFEDSA-N 1 1 331.416 0.696 20 30 ECEDMO C=CCNC(=O)CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181702498 437328824 /nfs/dbraw/zinc/32/88/24/437328824.db2.gz XZODQEKSOBKOQV-MRXNPFEDSA-N 1 1 331.416 0.696 20 30 ECEDMO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@H](C)S1(=O)=O ZINC000329506559 437376282 /nfs/dbraw/zinc/37/62/82/437376282.db2.gz ANZJAHCQPVOFKC-GRYCIOLGSA-N 1 1 326.422 0.619 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184720245 437411123 /nfs/dbraw/zinc/41/11/23/437411123.db2.gz PBJGLDDXEYQLNV-DAXOMENPSA-N 1 1 335.379 0.888 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184720245 437411127 /nfs/dbraw/zinc/41/11/27/437411127.db2.gz PBJGLDDXEYQLNV-DAXOMENPSA-N 1 1 335.379 0.888 20 30 ECEDMO C[C@H](O)CN1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000329785668 437412091 /nfs/dbraw/zinc/41/20/91/437412091.db2.gz QCVFIYSVFKLFGI-IJEWVQPXSA-N 1 1 344.525 0.725 20 30 ECEDMO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000329807234 437415822 /nfs/dbraw/zinc/41/58/22/437415822.db2.gz BIKBHULIYZVDNX-CBBWQLFWSA-N 1 1 329.441 0.481 20 30 ECEDMO Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)cn1 ZINC000329810496 437416510 /nfs/dbraw/zinc/41/65/10/437416510.db2.gz QSIPHZSBTPIQMH-LSDHHAIUSA-N 1 1 349.483 0.138 20 30 ECEDMO Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CN(C)CCN3C)C2)cn1 ZINC000329810496 437416513 /nfs/dbraw/zinc/41/65/13/437416513.db2.gz QSIPHZSBTPIQMH-LSDHHAIUSA-N 1 1 349.483 0.138 20 30 ECEDMO Cn1cc(C2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)cn1 ZINC000329848456 437420952 /nfs/dbraw/zinc/42/09/52/437420952.db2.gz PPTZLQOHLDPASD-MRXNPFEDSA-N 1 1 334.468 0.759 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000337760875 437378746 /nfs/dbraw/zinc/37/87/46/437378746.db2.gz KDIFINHBGCHCRE-UONOGXRCSA-N 1 1 332.470 0.556 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000289104282 437382276 /nfs/dbraw/zinc/38/22/76/437382276.db2.gz HMEWCWQVOMSKAX-HOTGVXAUSA-N 1 1 335.429 0.793 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329620684 437393713 /nfs/dbraw/zinc/39/37/13/437393713.db2.gz RICPUYMEJDSLQM-OLZOCXBDSA-N 1 1 335.452 0.958 20 30 ECEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329620684 437393715 /nfs/dbraw/zinc/39/37/15/437393715.db2.gz RICPUYMEJDSLQM-OLZOCXBDSA-N 1 1 335.452 0.958 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329620684 437393716 /nfs/dbraw/zinc/39/37/16/437393716.db2.gz RICPUYMEJDSLQM-OLZOCXBDSA-N 1 1 335.452 0.958 20 30 ECEDMO CC[C@@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000330214804 437470505 /nfs/dbraw/zinc/47/05/05/437470505.db2.gz GLNCAUHEBGZHFZ-OAGGEKHMSA-N 1 1 340.468 0.274 20 30 ECEDMO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC[N@H+]1C[C@H](C)O ZINC000330243095 437472552 /nfs/dbraw/zinc/47/25/52/437472552.db2.gz CKAIMWNJJZVWLI-RRFJBIMHSA-N 1 1 335.452 0.889 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@@H]2CCn3ccnc3C2)CC[N@@H+]1C[C@H](C)O ZINC000330243095 437472554 /nfs/dbraw/zinc/47/25/54/437472554.db2.gz CKAIMWNJJZVWLI-RRFJBIMHSA-N 1 1 335.452 0.889 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@@H]2CCn3ccnc3C2)CC[N@H+]1C[C@H](C)O ZINC000330243095 437472558 /nfs/dbraw/zinc/47/25/58/437472558.db2.gz CKAIMWNJJZVWLI-RRFJBIMHSA-N 1 1 335.452 0.889 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000330268742 437477695 /nfs/dbraw/zinc/47/76/95/437477695.db2.gz RJNHGKGGPZFWDZ-KFWWJZLASA-N 1 1 338.452 0.564 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000330282727 437479074 /nfs/dbraw/zinc/47/90/74/437479074.db2.gz VOSQGFQCSNEFTD-OAHLLOKOSA-N 1 1 348.451 0.857 20 30 ECEDMO O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000329941468 437434386 /nfs/dbraw/zinc/43/43/86/437434386.db2.gz GRHLENKEDGKVDT-AWEZNQCLSA-N 1 1 329.466 0.690 20 30 ECEDMO O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000329941468 437434391 /nfs/dbraw/zinc/43/43/91/437434391.db2.gz GRHLENKEDGKVDT-AWEZNQCLSA-N 1 1 329.466 0.690 20 30 ECEDMO CN1CCO[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000329949548 437436251 /nfs/dbraw/zinc/43/62/51/437436251.db2.gz HLFBZBPUIXYCGF-BRWVUGGUSA-N 1 1 326.400 0.678 20 30 ECEDMO CC(=O)N1CCC[C@@H](CNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000330006142 437444640 /nfs/dbraw/zinc/44/46/40/437444640.db2.gz CNYIQDKQFBGDSH-HNNXBMFYSA-N 1 1 326.441 0.471 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000330049901 437449420 /nfs/dbraw/zinc/44/94/20/437449420.db2.gz JXRNZPJULZPGAJ-ZDUSSCGKSA-N 1 1 349.435 0.163 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@@]2(CCCOC2)O1 ZINC000330146031 437460729 /nfs/dbraw/zinc/46/07/29/437460729.db2.gz HSRAPLOJZHGDLI-BFYDXBDKSA-N 1 1 340.468 0.416 20 30 ECEDMO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)[C@H]1OC ZINC000330152434 437460996 /nfs/dbraw/zinc/46/09/96/437460996.db2.gz LZZDDKPYNLUCKR-AALSBFMBSA-N 1 1 341.452 0.745 20 30 ECEDMO C[C@](O)(CNC(=O)Cc1csc2nccn12)C[NH+]1CCOCC1 ZINC000330161847 437461951 /nfs/dbraw/zinc/46/19/51/437461951.db2.gz UDARPVDPOFUZPH-HNNXBMFYSA-N 1 1 338.433 0.978 20 30 ECEDMO CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000330169762 437463032 /nfs/dbraw/zinc/46/30/32/437463032.db2.gz DKLARUANZJUOQA-ZIAGYGMSSA-N 1 1 346.497 0.598 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330178687 437464539 /nfs/dbraw/zinc/46/45/39/437464539.db2.gz DWYSLEQEIKFYCC-XBFCOCLRSA-N 1 1 344.481 0.349 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000330374320 437493054 /nfs/dbraw/zinc/49/30/54/437493054.db2.gz BXZUXGFXHPEUDP-CYBMUJFWSA-N 1 1 332.470 0.101 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC2(O)CCCC2)CC1 ZINC000330375418 437495012 /nfs/dbraw/zinc/49/50/12/437495012.db2.gz GMIXRBZPGPLIIN-UHFFFAOYSA-N 1 1 326.441 0.348 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343158353 437519947 /nfs/dbraw/zinc/51/99/47/437519947.db2.gz QNSWEPQDKLNZDU-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000343165202 437522079 /nfs/dbraw/zinc/52/20/79/437522079.db2.gz OEUABUKWFSWLOF-CABCVRRESA-N 1 1 325.453 0.932 20 30 ECEDMO CCOCCCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000330480855 437527587 /nfs/dbraw/zinc/52/75/87/437527587.db2.gz SOMXZWLQHGDKDY-UHFFFAOYSA-N 1 1 340.468 0.813 20 30 ECEDMO COCC1(O)CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000330491843 437528674 /nfs/dbraw/zinc/52/86/74/437528674.db2.gz PQJFKTJZDZQQPR-UHFFFAOYSA-N 1 1 327.303 0.052 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+](CC)CCC ZINC000360173432 437546909 /nfs/dbraw/zinc/54/69/09/437546909.db2.gz ZDQFCHJAXOASQA-LSDHHAIUSA-N 1 1 325.453 0.932 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CCO1 ZINC000330582195 437557557 /nfs/dbraw/zinc/55/75/57/437557557.db2.gz LJABGLBNGBUGHL-YPMHNXCESA-N 1 1 325.365 0.670 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000354224241 437562520 /nfs/dbraw/zinc/56/25/20/437562520.db2.gz QPAXWDNZRCIKMY-CYBMUJFWSA-N 1 1 334.351 0.473 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC000330601045 437564271 /nfs/dbraw/zinc/56/42/71/437564271.db2.gz ZCBNZDAUPDMJIU-KGLIPLIRSA-N 1 1 343.424 0.131 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000360305990 437580684 /nfs/dbraw/zinc/58/06/84/437580684.db2.gz YRSLRIBGGVJZBA-UHFFFAOYSA-N 1 1 344.459 0.953 20 30 ECEDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1sccc1C#N ZINC000340319618 437626230 /nfs/dbraw/zinc/62/62/30/437626230.db2.gz XQYSHXUDOUAZBB-UHFFFAOYSA-N 1 1 349.460 0.654 20 30 ECEDMO CC#CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000190524351 437629268 /nfs/dbraw/zinc/62/92/68/437629268.db2.gz AWLOKWKKLNITFT-UHFFFAOYSA-N 1 1 329.400 0.639 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000360704790 437632139 /nfs/dbraw/zinc/63/21/39/437632139.db2.gz TVYYODWETXUREK-VBQJREDUSA-N 1 1 337.420 0.837 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000360704790 437632143 /nfs/dbraw/zinc/63/21/43/437632143.db2.gz TVYYODWETXUREK-VBQJREDUSA-N 1 1 337.420 0.837 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC3)C2)CC1 ZINC000343743432 437644878 /nfs/dbraw/zinc/64/48/78/437644878.db2.gz VGXSPMABXTXTFQ-INIZCTEOSA-N 1 1 334.464 0.448 20 30 ECEDMO CCN(CC(C)(C)O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000330937045 437653082 /nfs/dbraw/zinc/65/30/82/437653082.db2.gz UDBRKMHIXCEIDA-UHFFFAOYSA-N 1 1 328.457 0.546 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000361321857 437658822 /nfs/dbraw/zinc/65/88/22/437658822.db2.gz UWDQQGDDBXWKNB-UONOGXRCSA-N 1 1 346.362 0.615 20 30 ECEDMO C=CCNc1nnc(SCCC(=O)N2CC[NH+](C)CC2)s1 ZINC000343835453 437670222 /nfs/dbraw/zinc/67/02/22/437670222.db2.gz JHUSOPVVKXDAHP-UHFFFAOYSA-N 1 1 327.479 1.392 20 30 ECEDMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355101426 437671463 /nfs/dbraw/zinc/67/14/63/437671463.db2.gz QPVPTRVRBSFLTI-UHFFFAOYSA-N 1 1 337.449 0.357 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000192483794 437677747 /nfs/dbraw/zinc/67/77/47/437677747.db2.gz GZMYKESUKZLVKR-GASCZTMLSA-N 1 1 349.456 0.785 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)[C@@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000331092072 437686592 /nfs/dbraw/zinc/68/65/92/437686592.db2.gz IRJSBWCFQHAMJK-ZIAGYGMSSA-N 1 1 330.450 0.898 20 30 ECEDMO CN(CCC#N)S(=O)(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000362109758 437717515 /nfs/dbraw/zinc/71/75/15/437717515.db2.gz PXPXPJQTDDDXNU-UHFFFAOYSA-N 1 1 328.413 0.937 20 30 ECEDMO CN(CCC#N)S(=O)(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000362109758 437717519 /nfs/dbraw/zinc/71/75/19/437717519.db2.gz PXPXPJQTDDDXNU-UHFFFAOYSA-N 1 1 328.413 0.937 20 30 ECEDMO COC[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@@H]1CCCO1 ZINC000331229888 437722784 /nfs/dbraw/zinc/72/27/84/437722784.db2.gz HEIIOQBPUIOQJI-KKUMJFAQSA-N 1 1 343.468 0.871 20 30 ECEDMO CC[C@]1(CO)CCCN1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000331264984 437729591 /nfs/dbraw/zinc/72/95/91/437729591.db2.gz PGAQFARRIAZMFU-MRXNPFEDSA-N 1 1 326.441 0.348 20 30 ECEDMO C[C@H](NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)C(=O)N(C)C ZINC000344125096 437735605 /nfs/dbraw/zinc/73/56/05/437735605.db2.gz QUDODNOSGDOJEQ-AWEZNQCLSA-N 1 1 346.431 0.600 20 30 ECEDMO C[C@H](NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)C(=O)N(C)C ZINC000344125096 437735610 /nfs/dbraw/zinc/73/56/10/437735610.db2.gz QUDODNOSGDOJEQ-AWEZNQCLSA-N 1 1 346.431 0.600 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000341210831 437817482 /nfs/dbraw/zinc/81/74/82/437817482.db2.gz VWIYKZOWGMHNHR-LSDHHAIUSA-N 1 1 337.468 0.099 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000364917977 437827305 /nfs/dbraw/zinc/82/73/05/437827305.db2.gz BIBZMNHWDZUGMH-AWEZNQCLSA-N 1 1 330.384 0.682 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(F)(C#N)CC2)CC1 ZINC000345014758 437778009 /nfs/dbraw/zinc/77/80/09/437778009.db2.gz GUIJGSGYYDLRCS-UHFFFAOYSA-N 1 1 339.415 0.576 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000363465991 437792005 /nfs/dbraw/zinc/79/20/05/437792005.db2.gz ABIKFSGKQPTPJC-LBPRGKRZSA-N 1 1 336.436 0.767 20 30 ECEDMO C#CCOCCC(=O)N1CCC2(C[C@@H]2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363843199 437806971 /nfs/dbraw/zinc/80/69/71/437806971.db2.gz FQYFTRHZCOTYAR-MRXNPFEDSA-N 1 1 347.459 0.429 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000346560317 437813369 /nfs/dbraw/zinc/81/33/69/437813369.db2.gz ANMXNUANJRFNFJ-YJBOKZPZSA-N 1 1 334.416 0.467 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000416305806 437913802 /nfs/dbraw/zinc/91/38/02/437913802.db2.gz JGDDMHFIIOCKGO-ZIAGYGMSSA-N 1 1 344.415 0.202 20 30 ECEDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000356988401 437881546 /nfs/dbraw/zinc/88/15/46/437881546.db2.gz QRSUQQGHEGTAPN-GJZGRUSLSA-N 1 1 338.452 0.612 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2(C#N)CCOCC2)CC1=O ZINC000365344628 437896844 /nfs/dbraw/zinc/89/68/44/437896844.db2.gz YILJBARGMRIYIO-HUUCEWRRSA-N 1 1 348.447 0.508 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416302537 437907617 /nfs/dbraw/zinc/90/76/17/437907617.db2.gz WTXKWKBHWFNIEN-KGLIPLIRSA-N 1 1 347.415 0.859 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416302537 437907624 /nfs/dbraw/zinc/90/76/24/437907624.db2.gz WTXKWKBHWFNIEN-KGLIPLIRSA-N 1 1 347.415 0.859 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000416551223 437957910 /nfs/dbraw/zinc/95/79/10/437957910.db2.gz GFIJJGMIIZZVIY-AWEZNQCLSA-N 1 1 332.470 0.415 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425558895 438026631 /nfs/dbraw/zinc/02/66/31/438026631.db2.gz YGXDMRHDHHJQEN-BBRMVZONSA-N 1 1 335.452 0.919 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)nn1 ZINC000425635470 438029609 /nfs/dbraw/zinc/02/96/09/438029609.db2.gz FHFUPCITPSOLSX-MRXNPFEDSA-N 1 1 349.483 0.535 20 30 ECEDMO C=CCSCCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000417343639 438042163 /nfs/dbraw/zinc/04/21/63/438042163.db2.gz OQQAUSKKBFNROS-CYBMUJFWSA-N 1 1 326.466 0.511 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000425908883 438046129 /nfs/dbraw/zinc/04/61/29/438046129.db2.gz KVOVFSSUBBTFMG-UGUYLWEFSA-N 1 1 337.464 0.930 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000425887358 438046319 /nfs/dbraw/zinc/04/63/19/438046319.db2.gz ASIRAIFWJGBOIX-JJXSEGSLSA-N 1 1 335.448 0.636 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC000426163285 438048362 /nfs/dbraw/zinc/04/83/62/438048362.db2.gz VYBJYNWVLLCAGT-HZMBPMFUSA-N 1 1 346.353 0.795 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426145771 438049884 /nfs/dbraw/zinc/04/98/84/438049884.db2.gz NJLGWZQAUVFUHS-RYUDHWBXSA-N 1 1 348.369 0.995 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000357902521 438095467 /nfs/dbraw/zinc/09/54/67/438095467.db2.gz AVPJUEZAECRCNO-HNNXBMFYSA-N 1 1 335.404 0.508 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000357902521 438095472 /nfs/dbraw/zinc/09/54/72/438095472.db2.gz AVPJUEZAECRCNO-HNNXBMFYSA-N 1 1 335.404 0.508 20 30 ECEDMO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000430267631 438108520 /nfs/dbraw/zinc/10/85/20/438108520.db2.gz GLHMOJLLPHQJAN-MAUKXSAKSA-N 1 1 349.479 0.137 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000430391713 438110707 /nfs/dbraw/zinc/11/07/07/438110707.db2.gz HGDQBJGJJGXHNK-PMPSAXMXSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000430398460 438111001 /nfs/dbraw/zinc/11/10/01/438111001.db2.gz IREVWUROYJHDET-PMPSAXMXSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000430389019 438111052 /nfs/dbraw/zinc/11/10/52/438111052.db2.gz ZBLKREAYKONVOJ-JKSUJKDBSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000430372075 438111374 /nfs/dbraw/zinc/11/13/74/438111374.db2.gz FJYHERJGZSGSNK-PMPSAXMXSA-N 1 1 337.464 0.932 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nn1CCC#N ZINC000349000678 438125360 /nfs/dbraw/zinc/12/53/60/438125360.db2.gz GABBBGVOHVUJOU-KGLIPLIRSA-N 1 1 344.419 0.787 20 30 ECEDMO CN1C[C@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCN2C1=O ZINC000373226859 438137670 /nfs/dbraw/zinc/13/76/70/438137670.db2.gz IUBYPLRHJPCAAM-LSDHHAIUSA-N 1 1 330.388 0.350 20 30 ECEDMO CN1C[C@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCN2C1=O ZINC000373226859 438137673 /nfs/dbraw/zinc/13/76/73/438137673.db2.gz IUBYPLRHJPCAAM-LSDHHAIUSA-N 1 1 330.388 0.350 20 30 ECEDMO C=CCOc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358128894 438161066 /nfs/dbraw/zinc/16/10/66/438161066.db2.gz SBZGRTKVWJSHAI-QGZVFWFLSA-N 1 1 333.388 0.373 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000374580756 438217577 /nfs/dbraw/zinc/21/75/77/438217577.db2.gz UGGKCHRIRVDOAD-QLFBSQMISA-N 1 1 344.481 0.556 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000374580757 438217703 /nfs/dbraw/zinc/21/77/03/438217703.db2.gz UGGKCHRIRVDOAD-RBSFLKMASA-N 1 1 344.481 0.556 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)nn1CCC#N ZINC000358409189 438219528 /nfs/dbraw/zinc/21/95/28/438219528.db2.gz ZJFQOGFUHZDQFN-UHFFFAOYSA-N 1 1 344.419 0.812 20 30 ECEDMO N#CCNC(=O)CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000367733694 438241788 /nfs/dbraw/zinc/24/17/88/438241788.db2.gz JQWLIGFJVSTJQU-OAHLLOKOSA-N 1 1 330.388 0.033 20 30 ECEDMO N#CCNC(=O)CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000367733694 438241793 /nfs/dbraw/zinc/24/17/93/438241793.db2.gz JQWLIGFJVSTJQU-OAHLLOKOSA-N 1 1 330.388 0.033 20 30 ECEDMO COc1ccccc1[C@H](CNC(=O)NCC(=O)NCC#N)[NH+](C)C ZINC000358317772 438198851 /nfs/dbraw/zinc/19/88/51/438198851.db2.gz VGWNVUXLSVLMBW-ZDUSSCGKSA-N 1 1 333.392 0.237 20 30 ECEDMO N#Cc1ccc(C(=O)NCCCCN2CC[NH+](CCO)CC2)cc1 ZINC000432523831 438200266 /nfs/dbraw/zinc/20/02/66/438200266.db2.gz OXUDGFSBOKIGEH-UHFFFAOYSA-N 1 1 330.432 0.678 20 30 ECEDMO CCN(CCC#N)C(=O)CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000376865118 438296064 /nfs/dbraw/zinc/29/60/64/438296064.db2.gz UFFHHEWBHUMRJB-INIZCTEOSA-N 1 1 335.496 0.849 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(C(=O)NCC(=O)NCC#N)C[C@H]2[C@@H]1c1ccccc1 ZINC000377065844 438302971 /nfs/dbraw/zinc/30/29/71/438302971.db2.gz HLXDRNPJOUXBEI-INMHGKMJSA-N 1 1 341.415 0.570 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000368706609 438370251 /nfs/dbraw/zinc/37/02/51/438370251.db2.gz LEHNVIGDMYXFMU-CYBMUJFWSA-N 1 1 333.392 0.512 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000368706609 438370255 /nfs/dbraw/zinc/37/02/55/438370255.db2.gz LEHNVIGDMYXFMU-CYBMUJFWSA-N 1 1 333.392 0.512 20 30 ECEDMO C#CCCOc1ccc(C[N@H+]2CCCN(S(N)(=O)=O)CC2)cc1 ZINC000378347843 438379041 /nfs/dbraw/zinc/37/90/41/438379041.db2.gz WLPLOGJKJANGMG-UHFFFAOYSA-N 1 1 337.445 0.800 20 30 ECEDMO C#CCCOc1ccc(C[N@@H+]2CCCN(S(N)(=O)=O)CC2)cc1 ZINC000378347843 438379043 /nfs/dbraw/zinc/37/90/43/438379043.db2.gz WLPLOGJKJANGMG-UHFFFAOYSA-N 1 1 337.445 0.800 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[N@H+]1C ZINC000359232647 438385417 /nfs/dbraw/zinc/38/54/17/438385417.db2.gz TXHUQVVLPIXAMS-DGCLKSJQSA-N 1 1 346.435 1.047 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[N@H+]1C ZINC000359232657 438385784 /nfs/dbraw/zinc/38/57/84/438385784.db2.gz TXHUQVVLPIXAMS-YPMHNXCESA-N 1 1 346.435 1.047 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000437744504 438454827 /nfs/dbraw/zinc/45/48/27/438454827.db2.gz DFPGEOGTLSXJJP-ILXRZTDVSA-N 1 1 338.452 0.607 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369355294 438456529 /nfs/dbraw/zinc/45/65/29/438456529.db2.gz PPZZMTRWTBRYAU-HOTGVXAUSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352675045 438460431 /nfs/dbraw/zinc/46/04/31/438460431.db2.gz CUPRLGSINMOLSN-AXFHLTTASA-N 1 1 337.342 0.879 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352675045 438460433 /nfs/dbraw/zinc/46/04/33/438460433.db2.gz CUPRLGSINMOLSN-AXFHLTTASA-N 1 1 337.342 0.879 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369670596 438501919 /nfs/dbraw/zinc/50/19/19/438501919.db2.gz OLTKDDRBDFYZTJ-LBPRGKRZSA-N 1 1 333.392 0.720 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)nn1CCC#N ZINC000439344549 438508274 /nfs/dbraw/zinc/50/82/74/438508274.db2.gz FSXQLOJVUBJPSI-LBPRGKRZSA-N 1 1 332.408 0.596 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000408098747 438511544 /nfs/dbraw/zinc/51/15/44/438511544.db2.gz HLFDWLVVIYUMJE-IKGGRYGDSA-N 1 1 335.496 0.703 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1C#N ZINC000369802585 438515617 /nfs/dbraw/zinc/51/56/17/438515617.db2.gz DMAWSCLGTPWDJU-ZIAGYGMSSA-N 1 1 342.399 0.785 20 30 ECEDMO N#Cc1c(F)cccc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369959512 438536073 /nfs/dbraw/zinc/53/60/73/438536073.db2.gz ICQABRXOYQDXPH-CQSZACIVSA-N 1 1 346.406 0.834 20 30 ECEDMO CN1C[C@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CCN2C1=O ZINC000370079693 438550381 /nfs/dbraw/zinc/55/03/81/438550381.db2.gz AUWVTYZLSQXXEE-LBPRGKRZSA-N 1 1 333.417 1.000 20 30 ECEDMO CN1C[C@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCN2C1=O ZINC000370079693 438550383 /nfs/dbraw/zinc/55/03/83/438550383.db2.gz AUWVTYZLSQXXEE-LBPRGKRZSA-N 1 1 333.417 1.000 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000452346534 438652968 /nfs/dbraw/zinc/65/29/68/438652968.db2.gz GUPGEXNISAGNTD-MRXNPFEDSA-N 1 1 344.415 0.251 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000444565636 438661816 /nfs/dbraw/zinc/66/18/16/438661816.db2.gz BFVSVEVDPCQDMM-AWEZNQCLSA-N 1 1 346.435 0.972 20 30 ECEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000444624651 438663912 /nfs/dbraw/zinc/66/39/12/438663912.db2.gz FWVLYPXQGQKDCA-UHFFFAOYSA-N 1 1 348.447 1.000 20 30 ECEDMO CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC[N@@H+]1CCOC ZINC000410926369 438667470 /nfs/dbraw/zinc/66/74/70/438667470.db2.gz PLTUFTAEPGUMBR-LSDHHAIUSA-N 1 1 338.452 0.564 20 30 ECEDMO CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC[N@H+]1CCOC ZINC000410926369 438667474 /nfs/dbraw/zinc/66/74/74/438667474.db2.gz PLTUFTAEPGUMBR-LSDHHAIUSA-N 1 1 338.452 0.564 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000410913142 438668703 /nfs/dbraw/zinc/66/87/03/438668703.db2.gz WCPBBUHZGYVOAU-HNNXBMFYSA-N 1 1 325.453 0.838 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000447394008 438676279 /nfs/dbraw/zinc/67/62/79/438676279.db2.gz PNCYFCHFKCQOAA-JKSUJKDBSA-N 1 1 328.453 0.757 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000447394008 438676282 /nfs/dbraw/zinc/67/62/82/438676282.db2.gz PNCYFCHFKCQOAA-JKSUJKDBSA-N 1 1 328.453 0.757 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000447387944 438676304 /nfs/dbraw/zinc/67/63/04/438676304.db2.gz VQTGHUNBSZUSPM-GJZGRUSLSA-N 1 1 327.425 0.094 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000447387944 438676308 /nfs/dbraw/zinc/67/63/08/438676308.db2.gz VQTGHUNBSZUSPM-GJZGRUSLSA-N 1 1 327.425 0.094 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1)C1CC1 ZINC000411967015 438682577 /nfs/dbraw/zinc/68/25/77/438682577.db2.gz HPVWLZQCJYJIHA-OALUTQOASA-N 1 1 340.427 0.924 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C)cc(C#N)c2)C1 ZINC000453656631 438686821 /nfs/dbraw/zinc/68/68/21/438686821.db2.gz VQYQPZKUPAVOPG-AWEZNQCLSA-N 1 1 330.388 0.642 20 30 ECEDMO C[C@@H]1CN(C(=O)NCC(=O)NCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000413552595 438694320 /nfs/dbraw/zinc/69/43/20/438694320.db2.gz ZEMAOSCMORFECU-CQSZACIVSA-N 1 1 329.404 0.542 20 30 ECEDMO C[C@@H]1CN(C(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000413552595 438694323 /nfs/dbraw/zinc/69/43/23/438694323.db2.gz ZEMAOSCMORFECU-CQSZACIVSA-N 1 1 329.404 0.542 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000453814785 438695711 /nfs/dbraw/zinc/69/57/11/438695711.db2.gz FYRSLUUWTCLVHS-OAHLLOKOSA-N 1 1 344.415 0.768 20 30 ECEDMO C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C)[N@@H+]1CCO ZINC000451650377 438703233 /nfs/dbraw/zinc/70/32/33/438703233.db2.gz ARBANNDGLFOPGD-UXLLHSPISA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C)N1CCO ZINC000451650377 438703235 /nfs/dbraw/zinc/70/32/35/438703235.db2.gz ARBANNDGLFOPGD-UXLLHSPISA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C)N1CCO ZINC000451650377 438703237 /nfs/dbraw/zinc/70/32/37/438703237.db2.gz ARBANNDGLFOPGD-UXLLHSPISA-N 1 1 333.432 0.685 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CC#N)CCOC)CC1=O ZINC000457180123 438798459 /nfs/dbraw/zinc/79/84/59/438798459.db2.gz GUOVLPXCKDCGEE-CABCVRRESA-N 1 1 336.436 0.318 20 30 ECEDMO C=CCC[C@H](CO)NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000457606576 438814805 /nfs/dbraw/zinc/81/48/05/438814805.db2.gz HJZBSOBXTFAFDQ-HZPDHXFCSA-N 1 1 326.485 0.885 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000457671427 438817456 /nfs/dbraw/zinc/81/74/56/438817456.db2.gz OEJGQWGZBXGTGG-UHFFFAOYSA-N 1 1 347.394 0.661 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)nc1 ZINC000595551145 438822153 /nfs/dbraw/zinc/82/21/53/438822153.db2.gz FXQWGFBFTWHZDP-UHFFFAOYSA-N 1 1 329.404 0.959 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](Nc2snc(C)c2C#N)CC1=O ZINC000601178110 438827357 /nfs/dbraw/zinc/82/73/57/438827357.db2.gz LODFXOMRCRCGAR-GFCCVEGCSA-N 1 1 337.449 0.914 20 30 ECEDMO N#CC1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC2(CC2)C1 ZINC000601185140 438829062 /nfs/dbraw/zinc/82/90/62/438829062.db2.gz PEZBAEXGXMJLHE-OAHLLOKOSA-N 1 1 332.448 0.593 20 30 ECEDMO CO[C@@]1(CO)CCC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000595660709 438841517 /nfs/dbraw/zinc/84/15/17/438841517.db2.gz UYGUTTKVNMMLCG-AEFFLSMTSA-N 1 1 334.416 0.966 20 30 ECEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000588830324 438841564 /nfs/dbraw/zinc/84/15/64/438841564.db2.gz WMAUTAKTRKLAAY-ZBFHGGJFSA-N 1 1 328.416 0.832 20 30 ECEDMO Cc1cc(C#N)c(=O)n(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000564966397 438897286 /nfs/dbraw/zinc/89/72/86/438897286.db2.gz NOOTZMMQFLCTED-INIZCTEOSA-N 1 1 346.431 0.501 20 30 ECEDMO C[NH+](C)C1(CS(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000601392588 438872945 /nfs/dbraw/zinc/87/29/45/438872945.db2.gz LSSZWFIUKSTGQK-UHFFFAOYSA-N 1 1 349.460 0.499 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595869748 438875307 /nfs/dbraw/zinc/87/53/07/438875307.db2.gz YCAHVEXZXSSCBG-KYJSFNMBSA-N 1 1 336.480 0.960 20 30 ECEDMO COCCn1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000515834122 438880973 /nfs/dbraw/zinc/88/09/73/438880973.db2.gz RBYXJGXTJUPYIT-UHFFFAOYSA-N 1 1 348.428 0.965 20 30 ECEDMO COc1ccc(-n2cc(C[NH2+]C[C@@H](O)CN(C)CCC#N)nn2)cc1 ZINC000577947811 438882608 /nfs/dbraw/zinc/88/26/08/438882608.db2.gz CSFXXRHACZCNDY-MRXNPFEDSA-N 1 1 344.419 0.572 20 30 ECEDMO COC1CC[NH+](CCNS(=O)(=O)c2cnc(C)c(C#N)c2)CC1 ZINC000589901575 438889843 /nfs/dbraw/zinc/88/98/43/438889843.db2.gz ZWWOYFIOLRQOCB-UHFFFAOYSA-N 1 1 338.433 0.651 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000590415967 438919674 /nfs/dbraw/zinc/91/96/74/438919674.db2.gz UKXKQKCWOHKRSQ-OAHLLOKOSA-N 1 1 329.404 0.180 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(=O)NCC#N ZINC000601632011 438944332 /nfs/dbraw/zinc/94/43/32/438944332.db2.gz JRVOYXKTEPUSJF-GDBMZVCRSA-N 1 1 343.431 0.693 20 30 ECEDMO C[C@@H]1NC(=O)N(CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000459313115 438958435 /nfs/dbraw/zinc/95/84/35/438958435.db2.gz OQPYBIKVLUVHGM-AWEZNQCLSA-N 1 1 341.415 0.616 20 30 ECEDMO C[N@@H+](C[C@H](O)CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000566123389 439010627 /nfs/dbraw/zinc/01/06/27/439010627.db2.gz IVRCLNNEGNFDOZ-QZTJIDSGSA-N 1 1 342.443 0.704 20 30 ECEDMO N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000602046042 439003290 /nfs/dbraw/zinc/00/32/90/439003290.db2.gz FXLARSAQZBKZOE-HOTGVXAUSA-N 1 1 341.415 0.465 20 30 ECEDMO N#Cc1ccc(N2CCC(NC(=O)NCC(F)(F)C[NH3+])CC2)nc1 ZINC000591350459 439005610 /nfs/dbraw/zinc/00/56/10/439005610.db2.gz AYVALGADMSQLJP-UHFFFAOYSA-N 1 1 338.362 0.815 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)Cn1cc(C)n(-c2ccc(C#N)cc2)c1=O ZINC000519714423 439058024 /nfs/dbraw/zinc/05/80/24/439058024.db2.gz RVOVFAWIENFVJE-KRWDZBQOSA-N 1 1 344.415 0.758 20 30 ECEDMO N#C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000596881620 439011317 /nfs/dbraw/zinc/01/13/17/439011317.db2.gz YQATYGIEZFWDMW-RBSFLKMASA-N 1 1 334.420 0.564 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000566138161 439012157 /nfs/dbraw/zinc/01/21/57/439012157.db2.gz BXQUDODLVTVXFB-OKZBNKHCSA-N 1 1 347.507 0.705 20 30 ECEDMO N#C[C@H](CO)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000602157422 439026295 /nfs/dbraw/zinc/02/62/95/439026295.db2.gz FCWIMWHNLXGYMU-NUJGCVRESA-N 1 1 329.400 0.526 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CNc1ccc(C#N)cc1 ZINC000602194661 439037827 /nfs/dbraw/zinc/03/78/27/439037827.db2.gz LDFIWMZTZIAEKI-UHFFFAOYSA-N 1 1 329.404 0.203 20 30 ECEDMO CC[N@H+](CCCC(C)(C)C#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000471706693 439091909 /nfs/dbraw/zinc/09/19/09/439091909.db2.gz QUJWREJUVBIKOC-CYBMUJFWSA-N 1 1 329.466 0.942 20 30 ECEDMO CC[N@@H+](CCCC(C)(C)C#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000471706693 439091913 /nfs/dbraw/zinc/09/19/13/439091913.db2.gz QUJWREJUVBIKOC-CYBMUJFWSA-N 1 1 329.466 0.942 20 30 ECEDMO N#Cc1cnn2c1NC[C@@H](C[N@H+]1CCCN(c3cccnn3)CC1)C2 ZINC000580565137 439104916 /nfs/dbraw/zinc/10/49/16/439104916.db2.gz WJITZJUAKKJVGI-AWEZNQCLSA-N 1 1 338.419 0.799 20 30 ECEDMO N#CCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000566494080 439064389 /nfs/dbraw/zinc/06/43/89/439064389.db2.gz HRVXWZUILOHGMY-HZPDHXFCSA-N 1 1 337.445 0.702 20 30 ECEDMO N#CCC(=O)NC[C@]1(NC(=O)CC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000597622105 439141469 /nfs/dbraw/zinc/14/14/69/439141469.db2.gz SDCWATDZPOBZNL-GOSISDBHSA-N 1 1 339.399 0.691 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000592184273 439175123 /nfs/dbraw/zinc/17/51/23/439175123.db2.gz IDQUZZRKOPKCIQ-GWCFXTLKSA-N 1 1 334.342 0.747 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000592184273 439175127 /nfs/dbraw/zinc/17/51/27/439175127.db2.gz IDQUZZRKOPKCIQ-GWCFXTLKSA-N 1 1 334.342 0.747 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)cc1 ZINC000581488899 439218044 /nfs/dbraw/zinc/21/80/44/439218044.db2.gz DMNWWTNGVYMUNP-DLBZAZTESA-N 1 1 333.432 0.734 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+](C)C(C)C)c1 ZINC000490594513 439276811 /nfs/dbraw/zinc/27/68/11/439276811.db2.gz QUVVPJMHYHBSBT-UHFFFAOYSA-N 1 1 337.445 0.668 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000581714617 439244662 /nfs/dbraw/zinc/24/46/62/439244662.db2.gz VITGARKNURRBFV-JSGCOSHPSA-N 1 1 332.408 0.358 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000581714617 439244665 /nfs/dbraw/zinc/24/46/65/439244665.db2.gz VITGARKNURRBFV-JSGCOSHPSA-N 1 1 332.408 0.358 20 30 ECEDMO C[N@H+]1CC[C@@]2(CCN(c3ccc(C#N)cc3CS(N)(=O)=O)C2)C1 ZINC000603381483 439249764 /nfs/dbraw/zinc/24/97/64/439249764.db2.gz BVJCJKBKVHTWMM-MRXNPFEDSA-N 1 1 334.445 0.879 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)ccn1 ZINC000603412299 439256354 /nfs/dbraw/zinc/25/63/54/439256354.db2.gz RBMJJCAGDSRGNA-MRXNPFEDSA-N 1 1 343.431 0.480 20 30 ECEDMO C#CCN(C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000490937628 439314844 /nfs/dbraw/zinc/31/48/44/439314844.db2.gz VICULVHPNZZQSD-HIFRSBDPSA-N 1 1 339.461 0.469 20 30 ECEDMO C#C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C ZINC000490987027 439319713 /nfs/dbraw/zinc/31/97/13/439319713.db2.gz WQMLZWFVMXUCPD-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000569333058 439323066 /nfs/dbraw/zinc/32/30/66/439323066.db2.gz PGDAOPMJXDUTNS-SJLPKXTDSA-N 1 1 346.475 0.718 20 30 ECEDMO C[NH+]1CCN([C@H](C(=O)N2CC[C@](O)(CC#N)C2)c2ccccc2)CC1 ZINC000592842208 439288208 /nfs/dbraw/zinc/28/82/08/439288208.db2.gz YZJQZIUBJIRQGL-PKOBYXMFSA-N 1 1 342.443 0.852 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000490714337 439288465 /nfs/dbraw/zinc/28/84/65/439288465.db2.gz OVUSBQASVOXLAT-AWEZNQCLSA-N 1 1 349.456 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCn1nnc2ccccc2c1=O ZINC000490893502 439306605 /nfs/dbraw/zinc/30/66/05/439306605.db2.gz UXWABUVJUHQFIR-AWEZNQCLSA-N 1 1 340.383 0.822 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](NS(C)(=O)=O)[C@H](C)CC ZINC000490900753 439308849 /nfs/dbraw/zinc/30/88/49/439308849.db2.gz XQSVJQVYNDWPPF-MGPQQGTHSA-N 1 1 330.450 0.591 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528713929 439363075 /nfs/dbraw/zinc/36/30/75/439363075.db2.gz GCKDWCPWTNTWEH-UHFFFAOYSA-N 1 1 347.419 0.858 20 30 ECEDMO C#CC(C)(C)[N@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000491166591 439341309 /nfs/dbraw/zinc/34/13/09/439341309.db2.gz SKRFKTLPFRQQJT-UHFFFAOYSA-N 1 1 336.480 0.389 20 30 ECEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000491166591 439341314 /nfs/dbraw/zinc/34/13/14/439341314.db2.gz SKRFKTLPFRQQJT-UHFFFAOYSA-N 1 1 336.480 0.389 20 30 ECEDMO C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)C[C@H](C)[N@@H+]1CCO ZINC000528519261 439344916 /nfs/dbraw/zinc/34/49/16/439344916.db2.gz MELXXEVASLNDSH-UXLLHSPISA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](C)N1CCO ZINC000528519261 439344921 /nfs/dbraw/zinc/34/49/21/439344921.db2.gz MELXXEVASLNDSH-UXLLHSPISA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](C)N1CCO ZINC000528519261 439344924 /nfs/dbraw/zinc/34/49/24/439344924.db2.gz MELXXEVASLNDSH-UXLLHSPISA-N 1 1 333.432 0.685 20 30 ECEDMO COCCOCC[NH+]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000593114593 439345751 /nfs/dbraw/zinc/34/57/51/439345751.db2.gz BSTGHHVTNQSEQL-QGZVFWFLSA-N 1 1 346.431 0.365 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@H](O)COc1ccccc1C#N ZINC000528524957 439346063 /nfs/dbraw/zinc/34/60/63/439346063.db2.gz SBJJVJMHAMHCLS-INMHGKMJSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)[C@H](C)CN1CCO ZINC000528524957 439346069 /nfs/dbraw/zinc/34/60/69/439346069.db2.gz SBJJVJMHAMHCLS-INMHGKMJSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)[C@H](C)CN1CCO ZINC000528524957 439346075 /nfs/dbraw/zinc/34/60/75/439346075.db2.gz SBJJVJMHAMHCLS-INMHGKMJSA-N 1 1 333.432 0.685 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000491337888 439367891 /nfs/dbraw/zinc/36/78/91/439367891.db2.gz DJZOENLHCAVEKE-CQSZACIVSA-N 1 1 339.436 0.742 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000491337887 439368421 /nfs/dbraw/zinc/36/84/21/439368421.db2.gz DJZOENLHCAVEKE-AWEZNQCLSA-N 1 1 339.436 0.742 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC ZINC000491526042 439402441 /nfs/dbraw/zinc/40/24/41/439402441.db2.gz WPVZGOLRMMTBFM-UHFFFAOYSA-N 1 1 342.399 0.395 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000491546659 439403080 /nfs/dbraw/zinc/40/30/80/439403080.db2.gz WOAQRVDWNKYXJU-CQSZACIVSA-N 1 1 329.466 0.119 20 30 ECEDMO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000491621826 439411610 /nfs/dbraw/zinc/41/16/10/439411610.db2.gz OQAQQCZSXWHOOI-GFCCVEGCSA-N 1 1 330.388 0.605 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](CC(C)C)N1CCOCC1 ZINC000491620334 439411698 /nfs/dbraw/zinc/41/16/98/439411698.db2.gz DRQHUAMVFRCPOH-QGZVFWFLSA-N 1 1 338.496 0.988 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000593583109 439414981 /nfs/dbraw/zinc/41/49/81/439414981.db2.gz RSDOQIRUEFLSKF-UHFFFAOYSA-N 1 1 349.412 0.814 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000593604664 439420151 /nfs/dbraw/zinc/42/01/51/439420151.db2.gz VJENXSJYTYCVBH-LLVKDONJSA-N 1 1 329.447 0.745 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000593604664 439420153 /nfs/dbraw/zinc/42/01/53/439420153.db2.gz VJENXSJYTYCVBH-LLVKDONJSA-N 1 1 329.447 0.745 20 30 ECEDMO C#C[C@H](NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000491673679 439424663 /nfs/dbraw/zinc/42/46/63/439424663.db2.gz URODWQYZTZRTPL-INIZCTEOSA-N 1 1 334.464 0.840 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O ZINC000491699029 439430801 /nfs/dbraw/zinc/43/08/01/439430801.db2.gz BBQUIGICMMECCZ-AWEZNQCLSA-N 1 1 329.466 0.118 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000491731492 439437686 /nfs/dbraw/zinc/43/76/86/439437686.db2.gz MCXMCSXCBNEJKS-KRWDZBQOSA-N 1 1 327.428 0.853 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000491740917 439439134 /nfs/dbraw/zinc/43/91/34/439439134.db2.gz YUPOYDDXBVAVMK-UHFFFAOYSA-N 1 1 343.431 0.692 20 30 ECEDMO C#C[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000491743610 439440027 /nfs/dbraw/zinc/44/00/27/439440027.db2.gz MMOBAVARWPWUSR-MRXNPFEDSA-N 1 1 346.406 0.963 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)[C@@]3(CCCO3)[C@H]2C2CC2)CC1 ZINC000491748334 439442624 /nfs/dbraw/zinc/44/26/24/439442624.db2.gz RAUKBNCSVGFXNC-VQIMIIECSA-N 1 1 345.443 0.575 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000491772128 439446467 /nfs/dbraw/zinc/44/64/67/439446467.db2.gz SFQWVHNZUKQDQR-SFHVURJKSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000491772128 439446471 /nfs/dbraw/zinc/44/64/71/439446471.db2.gz SFQWVHNZUKQDQR-SFHVURJKSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000491786207 439452144 /nfs/dbraw/zinc/45/21/44/439452144.db2.gz UMHGNNQFUJVEAI-ZWKOTPCHSA-N 1 1 327.428 0.572 20 30 ECEDMO COCC[N@H+]1CCN(C(=O)CNc2ccc(C#N)cn2)C(C)(C)C1 ZINC000593874369 439484419 /nfs/dbraw/zinc/48/44/19/439484419.db2.gz BHUIDPWIAQJHJG-UHFFFAOYSA-N 1 1 331.420 0.934 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000599568898 439505890 /nfs/dbraw/zinc/50/58/90/439505890.db2.gz KXJMHNQQBYDHHM-YOEHRIQHSA-N 1 1 334.372 0.562 20 30 ECEDMO C#C[C@@H](C)[N@@H+](C)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000491820370 439458385 /nfs/dbraw/zinc/45/83/85/439458385.db2.gz XLKQDCBTGCBTHR-CYBMUJFWSA-N 1 1 337.445 0.336 20 30 ECEDMO COc1cc(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1C#N ZINC000594244624 439529885 /nfs/dbraw/zinc/52/98/85/439529885.db2.gz LUWMKJXIOSDMBA-LSDHHAIUSA-N 1 1 330.388 0.527 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)C[C@H]3C[C@@H](O)C3)CC2)o1 ZINC000599673176 439533272 /nfs/dbraw/zinc/53/32/72/439533272.db2.gz QSONIRIMNMUSDP-OKILXGFUSA-N 1 1 347.419 0.206 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ncc1C#N ZINC000594292930 439534901 /nfs/dbraw/zinc/53/49/01/439534901.db2.gz RLXBRBDCKGQZNW-AAEUAGOBSA-N 1 1 331.376 0.036 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ncc1C#N ZINC000594292930 439534905 /nfs/dbraw/zinc/53/49/05/439534905.db2.gz RLXBRBDCKGQZNW-AAEUAGOBSA-N 1 1 331.376 0.036 20 30 ECEDMO CC(=O)N1CCN(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000599686593 439536157 /nfs/dbraw/zinc/53/61/57/439536157.db2.gz UCDOIAIHBYSRRX-UHFFFAOYSA-N 1 1 340.427 0.801 20 30 ECEDMO CC(=O)N1CCN(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000599686593 439536160 /nfs/dbraw/zinc/53/61/60/439536160.db2.gz UCDOIAIHBYSRRX-UHFFFAOYSA-N 1 1 340.427 0.801 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ncc1C#N ZINC000594292934 439537327 /nfs/dbraw/zinc/53/73/27/439537327.db2.gz RLXBRBDCKGQZNW-DGCLKSJQSA-N 1 1 331.376 0.036 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ncc1C#N ZINC000594292934 439537333 /nfs/dbraw/zinc/53/73/33/439537333.db2.gz RLXBRBDCKGQZNW-DGCLKSJQSA-N 1 1 331.376 0.036 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000599691870 439538811 /nfs/dbraw/zinc/53/88/11/439538811.db2.gz HLXVQUIIBSNDJE-CHWSQXEVSA-N 1 1 330.454 0.008 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000599691870 439538817 /nfs/dbraw/zinc/53/88/17/439538817.db2.gz HLXVQUIIBSNDJE-CHWSQXEVSA-N 1 1 330.454 0.008 20 30 ECEDMO N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000594427081 439560202 /nfs/dbraw/zinc/56/02/02/439560202.db2.gz STPCWSCOKJKFCU-CABCVRRESA-N 1 1 335.452 0.068 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)n(CCC#N)n1 ZINC000543705078 439562378 /nfs/dbraw/zinc/56/23/78/439562378.db2.gz LJSGHTCDQWUXFQ-ZIAGYGMSSA-N 1 1 344.419 0.596 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1F ZINC000594477385 439567688 /nfs/dbraw/zinc/56/76/88/439567688.db2.gz CZWXZUPOHXOWRL-NWDGAFQWSA-N 1 1 325.365 0.137 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1F ZINC000594477385 439567693 /nfs/dbraw/zinc/56/76/93/439567693.db2.gz CZWXZUPOHXOWRL-NWDGAFQWSA-N 1 1 325.365 0.137 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484555 439568855 /nfs/dbraw/zinc/56/88/55/439568855.db2.gz UZTBTCWBSBGQKI-CABCVRRESA-N 1 1 344.481 0.700 20 30 ECEDMO N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000594620020 439580759 /nfs/dbraw/zinc/58/07/59/439580759.db2.gz CUQYDKFIZOBDAD-HOTGVXAUSA-N 1 1 347.463 0.224 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 ZINC000609672437 439582662 /nfs/dbraw/zinc/58/26/62/439582662.db2.gz HBZQHXYZYOSJJN-ZWKOTPCHSA-N 1 1 341.459 0.796 20 30 ECEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600070079 439607779 /nfs/dbraw/zinc/60/77/79/439607779.db2.gz DMMLCUSFXBNFHK-CYBMUJFWSA-N 1 1 347.419 0.236 20 30 ECEDMO C[C@H](CNC(=O)NC1CCN(CC#N)CC1)CN1CC[NH+](C)CC1 ZINC000610402029 439614192 /nfs/dbraw/zinc/61/41/92/439614192.db2.gz DCPCQUNDQWBDCR-OAHLLOKOSA-N 1 1 336.484 0.157 20 30 ECEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000610662023 439635195 /nfs/dbraw/zinc/63/51/95/439635195.db2.gz URPKZIXSBVPXFC-HOTGVXAUSA-N 1 1 342.509 0.824 20 30 ECEDMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1cccc(C#N)c1 ZINC000587729903 439669227 /nfs/dbraw/zinc/66/92/27/439669227.db2.gz LLVNLBRCEQYGNG-XEZPLFJOSA-N 1 1 344.415 0.571 20 30 ECEDMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1cccc(C#N)c1 ZINC000587729903 439669230 /nfs/dbraw/zinc/66/92/30/439669230.db2.gz LLVNLBRCEQYGNG-XEZPLFJOSA-N 1 1 344.415 0.571 20 30 ECEDMO C[C@@](O)(C[C@@H](O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)C1CC1 ZINC000600845380 439710113 /nfs/dbraw/zinc/71/01/13/439710113.db2.gz DXDUPSZSEPBTLO-SJLPKXTDSA-N 1 1 330.432 0.987 20 30 ECEDMO Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)nn1-c1cccc(C#N)c1 ZINC000600531021 439674874 /nfs/dbraw/zinc/67/48/74/439674874.db2.gz DFRFCHKIFJHJGJ-MRXNPFEDSA-N 1 1 339.399 0.849 20 30 ECEDMO C[C@H](O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613394784 439756360 /nfs/dbraw/zinc/75/63/60/439756360.db2.gz CHPSTGDIGKNSBK-USXIJHARSA-N 1 1 334.416 0.964 20 30 ECEDMO C[C@H](O)C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613394784 439756361 /nfs/dbraw/zinc/75/63/61/439756361.db2.gz CHPSTGDIGKNSBK-USXIJHARSA-N 1 1 334.416 0.964 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CC[C@@](F)(C#N)C1)N1CC[NH+](C)CC1 ZINC000615578198 439802815 /nfs/dbraw/zinc/80/28/15/439802815.db2.gz ZMXQTKVGHSJLFP-GOEBONIOSA-N 1 1 325.432 0.906 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000636584182 439944609 /nfs/dbraw/zinc/94/46/09/439944609.db2.gz VMFRKLRWFIFDFI-OAHLLOKOSA-N 1 1 338.496 0.705 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658811228 440126527 /nfs/dbraw/zinc/12/65/27/440126527.db2.gz SDOXJVCVONHBIZ-DOTOQJQBSA-N 1 1 349.475 0.859 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCNC[C@H]2C(C)C)CC1 ZINC000627386023 440169311 /nfs/dbraw/zinc/16/93/11/440169311.db2.gz CJUFJIBVLIJDKA-INIZCTEOSA-N 1 1 336.480 0.600 20 30 ECEDMO C=CCN1C(=O)c2ccc(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)cc2C1=O ZINC000629179559 440618631 /nfs/dbraw/zinc/61/86/31/440618631.db2.gz TXIQBXCJINAOSL-CYBMUJFWSA-N 1 1 343.383 0.265 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)nn1 ZINC000644635803 440662671 /nfs/dbraw/zinc/66/26/71/440662671.db2.gz AUZAYYYYXRORDV-CQSZACIVSA-N 1 1 332.452 0.753 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nn1 ZINC000644635803 440662679 /nfs/dbraw/zinc/66/26/79/440662679.db2.gz AUZAYYYYXRORDV-CQSZACIVSA-N 1 1 332.452 0.753 20 30 ECEDMO C=C(C)C[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1=O ZINC000630972354 440994018 /nfs/dbraw/zinc/99/40/18/440994018.db2.gz LSKSFNJGYFXBEW-KGLIPLIRSA-N 1 1 336.436 0.816 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1NC[C@H]1C[N@H+](C)CCN1C ZINC000641369213 441106258 /nfs/dbraw/zinc/10/62/58/441106258.db2.gz BRGHQXIGGNWJIG-AWEZNQCLSA-N 1 1 338.477 0.809 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)ncc1C#N ZINC000563373811 322311540 /nfs/dbraw/zinc/31/15/40/322311540.db2.gz KXOWRAZUHXTRBQ-LBPRGKRZSA-N 1 1 327.388 0.801 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001078002655 782113381 /nfs/dbraw/zinc/11/33/81/782113381.db2.gz MSBSHYKJYCSIQQ-HUUCEWRRSA-N 1 1 330.388 0.236 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001078022575 782156331 /nfs/dbraw/zinc/15/63/31/782156331.db2.gz NGUJHZKCWHOIAE-HZPDHXFCSA-N 1 1 331.416 0.739 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncn2nccc2c1=O ZINC000328786603 546005804 /nfs/dbraw/zinc/00/58/04/546005804.db2.gz KVEUUSYQDZUVJP-CYBMUJFWSA-N 1 1 332.408 0.968 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CSc1nnnn1C1CC1 ZINC000329375611 546022982 /nfs/dbraw/zinc/02/29/82/546022982.db2.gz NXWFHVNIFUNCJL-NSHDSACASA-N 1 1 325.442 0.302 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)NCCC(=O)N2CCN(C)CC2)CC[N@H+]1C ZINC000329790968 546034265 /nfs/dbraw/zinc/03/42/65/546034265.db2.gz DDVBZJWSUYZPCD-ZIAGYGMSSA-N 1 1 325.457 0.137 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000330266927 546042461 /nfs/dbraw/zinc/04/24/61/546042461.db2.gz HVNQQDSIKWCRLC-CYBMUJFWSA-N 1 1 332.470 0.352 20 30 ECEDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000619516850 546337898 /nfs/dbraw/zinc/33/78/98/546337898.db2.gz KZAJGZRJNBIHFE-QILLFSRXSA-N 1 1 334.416 0.964 20 30 ECEDMO C[C@H](C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)n1cnc(C#N)n1 ZINC000619597072 546344770 /nfs/dbraw/zinc/34/47/70/546344770.db2.gz STWRMZJNVBNSLG-RDBSUJKOSA-N 1 1 332.408 0.470 20 30 ECEDMO C=CC[C@@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000625704065 547204650 /nfs/dbraw/zinc/20/46/50/547204650.db2.gz NIPQKTUVGJQUDV-CYBMUJFWSA-N 1 1 331.420 0.722 20 30 ECEDMO C=CC[C@H]1CC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000625705436 547205207 /nfs/dbraw/zinc/20/52/07/547205207.db2.gz VIXMKWKHDLYTDL-ZDUSSCGKSA-N 1 1 348.447 0.866 20 30 ECEDMO C=CC[C@H]1CC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000625705436 547205211 /nfs/dbraw/zinc/20/52/11/547205211.db2.gz VIXMKWKHDLYTDL-ZDUSSCGKSA-N 1 1 348.447 0.866 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626170270 547308651 /nfs/dbraw/zinc/30/86/51/547308651.db2.gz CORUZMCLVZQKHV-CQSZACIVSA-N 1 1 329.466 0.448 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626170270 547308653 /nfs/dbraw/zinc/30/86/53/547308653.db2.gz CORUZMCLVZQKHV-CQSZACIVSA-N 1 1 329.466 0.448 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000667939802 547573537 /nfs/dbraw/zinc/57/35/37/547573537.db2.gz QUDZIZIYEGGBTH-GJZGRUSLSA-N 1 1 338.452 0.161 20 30 ECEDMO C=CCCn1cc(CN2CCC(C(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000668157159 547598900 /nfs/dbraw/zinc/59/89/00/547598900.db2.gz IURNVDPXPPXHGB-UHFFFAOYSA-N 1 1 346.479 0.840 20 30 ECEDMO C=C[C@H](O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000668451035 547659699 /nfs/dbraw/zinc/65/96/99/547659699.db2.gz LIYWZCCTQGLZJM-HOTGVXAUSA-N 1 1 331.416 0.547 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000668866632 547772091 /nfs/dbraw/zinc/77/20/91/547772091.db2.gz DSVYWOPDFJRWMX-ZDUSSCGKSA-N 1 1 333.436 0.917 20 30 ECEDMO C=CCN(CCOC)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000682868748 549442631 /nfs/dbraw/zinc/44/26/31/549442631.db2.gz MNTAETMLAZWDJP-INIZCTEOSA-N 1 1 340.468 0.237 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)nc1 ZINC001078031259 782177657 /nfs/dbraw/zinc/17/76/57/782177657.db2.gz KLBXVPKHGXRCKS-IAGOWNOFSA-N 1 1 329.400 0.264 20 30 ECEDMO CC(C)[N@@H+]1CC(=NNC(=S)NCCN2CCOCC2)[C@H](C)C1 ZINC000754254851 579414969 /nfs/dbraw/zinc/41/49/69/579414969.db2.gz QLMXATJSPQUIOF-CYBMUJFWSA-N 1 1 327.498 0.499 20 30 ECEDMO C[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)C[NH+]1CCOCC1 ZINC000755003766 579427607 /nfs/dbraw/zinc/42/76/07/579427607.db2.gz YKIBHAXDKRCQMQ-LBPRGKRZSA-N 1 1 338.433 0.586 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 ZINC000757592763 579462428 /nfs/dbraw/zinc/46/24/28/579462428.db2.gz KBIBQZUEZGNJNW-XQQFMLRXSA-N 1 1 338.408 0.192 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 ZINC000757592763 579462429 /nfs/dbraw/zinc/46/24/29/579462429.db2.gz KBIBQZUEZGNJNW-XQQFMLRXSA-N 1 1 338.408 0.192 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000758340176 579471334 /nfs/dbraw/zinc/47/13/34/579471334.db2.gz WTKGEVBIVNQRGX-XHVRLZQUSA-N 1 1 332.404 0.502 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000758340178 579471364 /nfs/dbraw/zinc/47/13/64/579471364.db2.gz WTKGEVBIVNQRGX-ZCVVHXNJSA-N 1 1 332.404 0.502 20 30 ECEDMO C[NH+]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 ZINC000758769388 579481420 /nfs/dbraw/zinc/48/14/20/579481420.db2.gz IYPIQASFBCWRLY-OLZOCXBDSA-N 1 1 337.424 0.702 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCNc1ncccc1C#N ZINC000732454075 578325634 /nfs/dbraw/zinc/32/56/34/578325634.db2.gz SKMVUGRFFWHNGN-HNNXBMFYSA-N 1 1 346.435 0.775 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=S)NCC(N)=O ZINC000734365396 578357392 /nfs/dbraw/zinc/35/73/92/578357392.db2.gz YCRRAYPWMGKCDP-NSHDSACASA-N 1 1 334.449 0.229 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735429241 578384300 /nfs/dbraw/zinc/38/43/00/578384300.db2.gz RVBPATBIGKYTOJ-UHFFFAOYSA-N 1 1 348.432 0.795 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000798161147 578640001 /nfs/dbraw/zinc/64/00/01/578640001.db2.gz ZIZLBLORYQZNMY-UHFFFAOYSA-N 1 1 340.427 0.689 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000798452555 578645788 /nfs/dbraw/zinc/64/57/88/578645788.db2.gz IYUVVWKAHQYNST-ZWKOTPCHSA-N 1 1 345.443 0.827 20 30 ECEDMO COc1c(O)c(C=NNCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000799487229 578666120 /nfs/dbraw/zinc/66/61/20/578666120.db2.gz HBHFKRNGQDQORU-UHFFFAOYSA-N 1 1 338.364 0.955 20 30 ECEDMO C[C@@H](CNC(=O)[C@H](O)c1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000780939650 578703203 /nfs/dbraw/zinc/70/32/03/578703203.db2.gz KIEGYFMCIOZLIH-WMLDXEAASA-N 1 1 330.432 0.591 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1nccnc1C ZINC000783511944 578742224 /nfs/dbraw/zinc/74/22/24/578742224.db2.gz QFTOQSYVLHOHFU-UHFFFAOYSA-N 1 1 336.465 0.695 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c1=O ZINC000784034573 578748596 /nfs/dbraw/zinc/74/85/96/578748596.db2.gz VVFFRLLGOGJURS-AWEZNQCLSA-N 1 1 348.447 0.869 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc(C#N)[nH]2)C1 ZINC000786090451 578780385 /nfs/dbraw/zinc/78/03/85/578780385.db2.gz FTMBGQUGQFSXBB-CQSZACIVSA-N 1 1 348.403 0.516 20 30 ECEDMO C=CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)C(C)C ZINC000786629996 578791269 /nfs/dbraw/zinc/79/12/69/578791269.db2.gz VEOAERPMXSQDDQ-INIZCTEOSA-N 1 1 338.496 0.798 20 30 ECEDMO N#Cc1c2c(cn(CN3CCC[C@H]3C[NH+]3CCOCC3)c1=O)CCC2 ZINC000766638791 579090526 /nfs/dbraw/zinc/09/05/26/579090526.db2.gz XXZFJBRBIANVPG-INIZCTEOSA-N 1 1 342.443 0.963 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000766799163 579093328 /nfs/dbraw/zinc/09/33/28/579093328.db2.gz HHPBMIQUOFFUIW-UHFFFAOYSA-N 1 1 345.465 0.310 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000772581305 579210923 /nfs/dbraw/zinc/21/09/23/579210923.db2.gz VHCLEGFRBWPMSE-HOTGVXAUSA-N 1 1 330.432 0.790 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000772581305 579210924 /nfs/dbraw/zinc/21/09/24/579210924.db2.gz VHCLEGFRBWPMSE-HOTGVXAUSA-N 1 1 330.432 0.790 20 30 ECEDMO C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)[C@@H]1CCCO1 ZINC000772878839 579216151 /nfs/dbraw/zinc/21/61/51/579216151.db2.gz JSANCXAWHCQEEJ-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#C[C@@H]([NH2+]Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)[C@@H]1CCCO1 ZINC000775788569 579271245 /nfs/dbraw/zinc/27/12/45/579271245.db2.gz HGLFDWVDZCKBLM-KGLIPLIRSA-N 1 1 344.371 0.882 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)[C@@H]1CCCO1 ZINC000775791915 579271326 /nfs/dbraw/zinc/27/13/26/579271326.db2.gz PAUXLUAGCRCJIT-HOTGVXAUSA-N 1 1 335.448 0.666 20 30 ECEDMO C#C[C@H](NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000776106483 579275008 /nfs/dbraw/zinc/27/50/08/579275008.db2.gz BJBFGIRCUMUTRG-ULQDDVLXSA-N 1 1 336.480 0.738 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[C@@H]1CCCO1 ZINC000776227568 579278075 /nfs/dbraw/zinc/27/80/75/579278075.db2.gz ZEOWRQWONNZUKI-SQNIBIBYSA-N 1 1 348.491 0.979 20 30 ECEDMO C[C@H]1CN(Cc2nc3ccccc3c(=O)n2CC#N)CC[N@H+]1CCO ZINC000778341678 579308455 /nfs/dbraw/zinc/30/84/55/579308455.db2.gz BRRKWOUHQGEJOX-AWEZNQCLSA-N 1 1 341.415 0.418 20 30 ECEDMO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000779792773 579320817 /nfs/dbraw/zinc/32/08/17/579320817.db2.gz UGUVYDRDAFDGAS-NSHDSACASA-N 1 1 335.433 0.888 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC[C@H]21 ZINC000746447455 579839471 /nfs/dbraw/zinc/83/94/71/579839471.db2.gz ZDECPTXHHXWTNR-TZMCWYRMSA-N 1 1 330.392 0.288 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2cc(C#N)c[nH]2)C1 ZINC000748229085 579857418 /nfs/dbraw/zinc/85/74/18/579857418.db2.gz YXLFTWBOLFBVMY-CQSZACIVSA-N 1 1 348.403 0.516 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000841252289 588984810 /nfs/dbraw/zinc/98/48/10/588984810.db2.gz VHCJWKJXQCQNLX-KRWDZBQOSA-N 1 1 333.363 0.797 20 30 ECEDMO CCOc1cc(C=NNC2=[NH+]CCN2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000841660823 588997020 /nfs/dbraw/zinc/99/70/20/588997020.db2.gz IDOMDMSDFQUPFG-LBPRGKRZSA-N 1 1 347.419 0.824 20 30 ECEDMO C=C(C[NH+](C)C)C(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 ZINC000804716402 586062372 /nfs/dbraw/zinc/06/23/72/586062372.db2.gz JXLFBMVUHOPMBP-UHFFFAOYSA-N 1 1 346.449 0.073 20 30 ECEDMO CC(C)(C)OC(=O)N1CCOC[C@@H]([NH2+][C@H]2CCCN(O)C2=O)C1 ZINC000895195727 586168962 /nfs/dbraw/zinc/16/89/62/586168962.db2.gz DVFSWRRVMOKMQL-RYUDHWBXSA-N 1 1 329.397 0.592 20 30 ECEDMO Cc1c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cnn1CCC#N ZINC000896212459 586227925 /nfs/dbraw/zinc/22/79/25/586227925.db2.gz JTNQFXWTYXPGDA-CVEARBPZSA-N 1 1 331.420 0.776 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC1 ZINC000896237500 586231041 /nfs/dbraw/zinc/23/10/41/586231041.db2.gz SZDAQPMVOCMVDF-UHFFFAOYSA-N 1 1 330.392 0.012 20 30 ECEDMO N#CCN1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000892879077 586298522 /nfs/dbraw/zinc/29/85/22/586298522.db2.gz FXKXINPRZQGQEM-CVEARBPZSA-N 1 1 335.452 0.215 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)c2ccccc2OCC#N)CC[N@H+](C)C1 ZINC000840501002 586310451 /nfs/dbraw/zinc/31/04/51/586310451.db2.gz NEGZVBCBDWADPV-CYBMUJFWSA-N 1 1 331.372 0.766 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)c2ccccc2OCC#N)CC[N@@H+](C)C1 ZINC000840501002 586310453 /nfs/dbraw/zinc/31/04/53/586310453.db2.gz NEGZVBCBDWADPV-CYBMUJFWSA-N 1 1 331.372 0.766 20 30 ECEDMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000898019506 586392808 /nfs/dbraw/zinc/39/28/08/586392808.db2.gz LIYUBBWJWDJPDH-CQSZACIVSA-N 1 1 330.388 0.393 20 30 ECEDMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000898019506 586392810 /nfs/dbraw/zinc/39/28/10/586392810.db2.gz LIYUBBWJWDJPDH-CQSZACIVSA-N 1 1 330.388 0.393 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)NCc2nc(C#N)cs2)CC1(C)C ZINC000894601329 586403171 /nfs/dbraw/zinc/40/31/71/586403171.db2.gz KNTGRYJGTWAXPL-UHFFFAOYSA-N 1 1 336.465 0.840 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000900045172 586520843 /nfs/dbraw/zinc/52/08/43/586520843.db2.gz MKRWDAJFMXSLOH-YOEHRIQHSA-N 1 1 329.404 0.057 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000843250279 589056331 /nfs/dbraw/zinc/05/63/31/589056331.db2.gz FXOFLNIWEBGHMG-CVEARBPZSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000843250279 589056333 /nfs/dbraw/zinc/05/63/33/589056333.db2.gz FXOFLNIWEBGHMG-CVEARBPZSA-N 1 1 349.475 0.552 20 30 ECEDMO CS(=O)(=O)N1CC(CO[NH+]=C(N)c2ccc3c(c2)CCO3)C1 ZINC000902722389 586755491 /nfs/dbraw/zinc/75/54/91/586755491.db2.gz WQDZLBJUSGWHFK-UHFFFAOYSA-N 1 1 325.390 0.150 20 30 ECEDMO C#C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000839563039 586880570 /nfs/dbraw/zinc/88/05/70/586880570.db2.gz FNGXIUHRRMJRJA-OLZOCXBDSA-N 1 1 331.434 0.513 20 30 ECEDMO N#Cc1ccc(CN2CC[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC2)cc1 ZINC000905899807 586920811 /nfs/dbraw/zinc/92/08/11/586920811.db2.gz ZCAORKGXFJTTER-RTBURBONSA-N 1 1 345.443 0.578 20 30 ECEDMO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000801939520 587006254 /nfs/dbraw/zinc/00/62/54/587006254.db2.gz PVJQONJGYZHKKM-UONOGXRCSA-N 1 1 331.438 0.041 20 30 ECEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000801939520 587006256 /nfs/dbraw/zinc/00/62/56/587006256.db2.gz PVJQONJGYZHKKM-UONOGXRCSA-N 1 1 331.438 0.041 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000803209019 587055904 /nfs/dbraw/zinc/05/59/04/587055904.db2.gz JWRGZBCFUMQLNX-STQMWFEESA-N 1 1 327.450 0.001 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@H]1CCCO1 ZINC000803563697 587063413 /nfs/dbraw/zinc/06/34/13/587063413.db2.gz BKXTWACRQKSZSC-HRCADAONSA-N 1 1 335.448 0.520 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(Cn3cc4c(c(C#N)c3=O)CCC4)[C@H]2C1 ZINC000840083620 587118544 /nfs/dbraw/zinc/11/85/44/587118544.db2.gz KQNZTONIAHLSQE-ZWKOTPCHSA-N 1 1 342.443 0.961 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000813432717 587252664 /nfs/dbraw/zinc/25/26/64/587252664.db2.gz QTRJEMZBTPSWJC-CQSZACIVSA-N 1 1 339.395 0.839 20 30 ECEDMO C=C[C@@H](O)C(=O)OCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000814541226 587276610 /nfs/dbraw/zinc/27/66/10/587276610.db2.gz LXTULBRXAYHVQM-GOEBONIOSA-N 1 1 332.400 0.982 20 30 ECEDMO C=C[C@H](O)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000816888713 587327065 /nfs/dbraw/zinc/32/70/65/587327065.db2.gz VQMWKQWQWVSJDE-ZDUSSCGKSA-N 1 1 327.425 0.592 20 30 ECEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CCN(O)C3=O)CC2)cs1 ZINC000820157300 587514070 /nfs/dbraw/zinc/51/40/70/587514070.db2.gz VEHUGJAPOTYXFT-CYBMUJFWSA-N 1 1 338.433 0.770 20 30 ECEDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000821331894 587585922 /nfs/dbraw/zinc/58/59/22/587585922.db2.gz GYNLFVXFDOYCPU-IXDOHACOSA-N 1 1 329.400 0.708 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)cc2OC)CC[N@H+](C)C1 ZINC000822630958 587670883 /nfs/dbraw/zinc/67/08/83/587670883.db2.gz MIDUHKVINNBEPO-CYBMUJFWSA-N 1 1 331.372 0.744 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)cc2OC)CC[N@@H+](C)C1 ZINC000822630958 587670884 /nfs/dbraw/zinc/67/08/84/587670884.db2.gz MIDUHKVINNBEPO-CYBMUJFWSA-N 1 1 331.372 0.744 20 30 ECEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@](C)(O)C(=O)OC ZINC000823915362 587844212 /nfs/dbraw/zinc/84/42/12/587844212.db2.gz WBFXOCPVBTZGFH-INIZCTEOSA-N 1 1 331.376 0.779 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)CC1 ZINC000825077672 587915502 /nfs/dbraw/zinc/91/55/02/587915502.db2.gz DWYQTIBIWYAAHN-LJQANCHMSA-N 1 1 325.412 0.612 20 30 ECEDMO C#C[C@@H](NC(=O)NC1CC[NH+](CC(=O)NC)CC1)c1ccccc1 ZINC000825633288 587954189 /nfs/dbraw/zinc/95/41/89/587954189.db2.gz SAPMNIHRALWUPJ-MRXNPFEDSA-N 1 1 328.416 0.871 20 30 ECEDMO COc1ccc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1C#N ZINC000826761881 588082384 /nfs/dbraw/zinc/08/23/84/588082384.db2.gz FKNUNBNDTVCYTK-OAHLLOKOSA-N 1 1 330.388 0.527 20 30 ECEDMO COc1ccc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1C#N ZINC000826761881 588082386 /nfs/dbraw/zinc/08/23/86/588082386.db2.gz FKNUNBNDTVCYTK-OAHLLOKOSA-N 1 1 330.388 0.527 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000827436878 588120678 /nfs/dbraw/zinc/12/06/78/588120678.db2.gz YOQAPMLQHYMRIG-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO N#CC1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000827706818 588136512 /nfs/dbraw/zinc/13/65/12/588136512.db2.gz MAXGULKBBXJIBX-CABCVRRESA-N 1 1 348.447 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1 ZINC000829583176 588331031 /nfs/dbraw/zinc/33/10/31/588331031.db2.gz XQOQZHVKPSFPAN-CHWSQXEVSA-N 1 1 325.409 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1 ZINC000829583176 588331033 /nfs/dbraw/zinc/33/10/33/588331033.db2.gz XQOQZHVKPSFPAN-CHWSQXEVSA-N 1 1 325.409 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)C1 ZINC000829582044 588331119 /nfs/dbraw/zinc/33/11/19/588331119.db2.gz IJXJZDDWHORNNS-GJZGRUSLSA-N 1 1 343.431 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)C1 ZINC000829582044 588331121 /nfs/dbraw/zinc/33/11/21/588331121.db2.gz IJXJZDDWHORNNS-GJZGRUSLSA-N 1 1 343.431 0.377 20 30 ECEDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000830461605 588373206 /nfs/dbraw/zinc/37/32/06/588373206.db2.gz GDQTZCKEODSHSO-AWEZNQCLSA-N 1 1 344.419 0.082 20 30 ECEDMO C#CCN(C(=O)[C@H](C)N(C)C)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000831550654 588433286 /nfs/dbraw/zinc/43/32/86/588433286.db2.gz GKPYTGKAIOMTHT-GJZGRUSLSA-N 1 1 336.480 0.339 20 30 ECEDMO C#CCN(C(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)[C@H](C)N(C)C)CC1 ZINC000831550654 588433288 /nfs/dbraw/zinc/43/32/88/588433288.db2.gz GKPYTGKAIOMTHT-GJZGRUSLSA-N 1 1 336.480 0.339 20 30 ECEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000844372230 589109502 /nfs/dbraw/zinc/10/95/02/589109502.db2.gz XFDNXNVKVDOXCR-HOCLYGCPSA-N 1 1 337.445 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 ZINC000846647831 589216211 /nfs/dbraw/zinc/21/62/11/589216211.db2.gz JJHSSORPJGYIOS-AWEZNQCLSA-N 1 1 330.436 0.674 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 ZINC000846647831 589216212 /nfs/dbraw/zinc/21/62/12/589216212.db2.gz JJHSSORPJGYIOS-AWEZNQCLSA-N 1 1 330.436 0.674 20 30 ECEDMO C[C@@H]1CCCN(C(=O)CCNC(O)=C2N=CC=CC2=O)[C@@H]1CC[NH3+] ZINC000846696140 589219336 /nfs/dbraw/zinc/21/93/36/589219336.db2.gz XFEJNWAANNDNFU-OCWZUINPSA-N 1 1 334.420 0.879 20 30 ECEDMO O=C(N[C@@H]1CCCN(O)C1=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000848137016 589279549 /nfs/dbraw/zinc/27/95/49/589279549.db2.gz WOPZQEZIKQDUFM-PBHICJAKSA-N 1 1 333.388 0.120 20 30 ECEDMO C#CCN1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849540105 589339874 /nfs/dbraw/zinc/33/98/74/589339874.db2.gz BKEVFFLXJIFZPL-SJORKVTESA-N 1 1 329.448 0.233 20 30 ECEDMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2C#N)[C@H](c2cnn(C)c2)C1 ZINC000849554065 589340441 /nfs/dbraw/zinc/34/04/41/589340441.db2.gz LIGHNMBCXGIZAG-ULQDDVLXSA-N 1 1 345.447 0.985 20 30 ECEDMO C#C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@H]1CCCO1 ZINC000849574773 589341113 /nfs/dbraw/zinc/34/11/13/589341113.db2.gz ABHBBXQHFMGCHA-WCXIOVBPSA-N 1 1 330.432 0.752 20 30 ECEDMO C#CCOCC[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000852148397 589446128 /nfs/dbraw/zinc/44/61/28/589446128.db2.gz WGGOBSPRUHDKTH-UHFFFAOYSA-N 1 1 330.381 0.434 20 30 ECEDMO CC(C)(C)OC(=O)N1CCO[C@H](C[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000852205806 589450457 /nfs/dbraw/zinc/45/04/57/589450457.db2.gz UXIYQXCYLUQVSR-CZUORRHYSA-N 1 1 325.409 0.973 20 30 ECEDMO CC(C)(C)OC(=O)N1CCO[C@H](C[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000852205806 589450458 /nfs/dbraw/zinc/45/04/58/589450458.db2.gz UXIYQXCYLUQVSR-CZUORRHYSA-N 1 1 325.409 0.973 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@H](COC)c2cccc(OC)c2)CC1 ZINC000852446663 589497109 /nfs/dbraw/zinc/49/71/09/589497109.db2.gz QDJPDUKNCYFCIB-GOSISDBHSA-N 1 1 345.443 0.750 20 30 ECEDMO CCN(C(=O)NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@@H+](CC)C1 ZINC000853713049 589555977 /nfs/dbraw/zinc/55/59/77/589555977.db2.gz NDXPUBIUFWEQCU-UWZWCOGJSA-N 1 1 349.435 0.639 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc1 ZINC000853964816 589566150 /nfs/dbraw/zinc/56/61/50/589566150.db2.gz BHLPQGJTUBLFQB-INIZCTEOSA-N 1 1 328.416 0.480 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000854094053 589571150 /nfs/dbraw/zinc/57/11/50/589571150.db2.gz CEDSVECHVVJGNQ-HZPDHXFCSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000858238630 589734538 /nfs/dbraw/zinc/73/45/38/589734538.db2.gz KVWUWSSSPASKCF-CVEARBPZSA-N 1 1 336.480 0.883 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000858238630 589734540 /nfs/dbraw/zinc/73/45/40/589734540.db2.gz KVWUWSSSPASKCF-CVEARBPZSA-N 1 1 336.480 0.883 20 30 ECEDMO CC(C)(CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)S(C)(=O)=O ZINC000867951794 589864830 /nfs/dbraw/zinc/86/48/30/589864830.db2.gz QPGJWMXMVKACTH-AWEZNQCLSA-N 1 1 335.429 0.684 20 30 ECEDMO CCN1CCC[C@H]1CNC(NC[C@@H](O)C(F)(F)F)=[NH+]CCOC ZINC000864236400 590061570 /nfs/dbraw/zinc/06/15/70/590061570.db2.gz JLVZQSDAYUOIEO-NWDGAFQWSA-N 1 1 340.390 0.576 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000873023944 590179811 /nfs/dbraw/zinc/17/98/11/590179811.db2.gz CCTRFRIXANVHQI-IYBDPMFKSA-N 1 1 341.477 0.408 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000874264450 590229427 /nfs/dbraw/zinc/22/94/27/590229427.db2.gz VRXHUYNOQUEAOV-RYUDHWBXSA-N 1 1 331.338 0.469 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000875049059 590265076 /nfs/dbraw/zinc/26/50/76/590265076.db2.gz YEVZFAUTOPSNJW-SJORKVTESA-N 1 1 338.496 0.986 20 30 ECEDMO C=CC(C)(C)CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000875333338 590294026 /nfs/dbraw/zinc/29/40/26/590294026.db2.gz FKYGOBKECRLPMR-ZIAGYGMSSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC(C)(C)CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000875333338 590294028 /nfs/dbraw/zinc/29/40/28/590294028.db2.gz FKYGOBKECRLPMR-ZIAGYGMSSA-N 1 1 325.453 0.930 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000875398395 590298738 /nfs/dbraw/zinc/29/87/38/590298738.db2.gz KZJRXNMBCCEWCY-SJORKVTESA-N 1 1 325.412 0.837 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000875747264 590328241 /nfs/dbraw/zinc/32/82/41/590328241.db2.gz OYHMYQPKVOXHTD-ARFHVFGLSA-N 1 1 335.448 0.967 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](O)CC(C)(C)C2)CC1 ZINC000879623100 590329701 /nfs/dbraw/zinc/32/97/01/590329701.db2.gz RNIJJUJGYFBWHZ-JKSUJKDBSA-N 1 1 336.480 0.772 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879694229 590335150 /nfs/dbraw/zinc/33/51/50/590335150.db2.gz XUTMYHLTTUPVNV-KFWWJZLASA-N 1 1 349.406 0.993 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000875917369 590346205 /nfs/dbraw/zinc/34/62/05/590346205.db2.gz BZVNTLFAZQJAFU-OAHLLOKOSA-N 1 1 325.453 0.903 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879975438 590357770 /nfs/dbraw/zinc/35/77/70/590357770.db2.gz PVDBUVPIIARTIR-ZJIFWQFVSA-N 1 1 335.448 0.256 20 30 ECEDMO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000880479996 590395036 /nfs/dbraw/zinc/39/50/36/590395036.db2.gz FSXOWGYVSSJTOZ-CYBMUJFWSA-N 1 1 329.400 0.963 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCCS(=O)(=O)CC1 ZINC000876658314 590395830 /nfs/dbraw/zinc/39/58/30/590395830.db2.gz SGXKCTYNLXJKOJ-HNNXBMFYSA-N 1 1 333.413 0.392 20 30 ECEDMO CS(=O)(=O)C1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876679736 590397176 /nfs/dbraw/zinc/39/71/76/590397176.db2.gz JWEJCKVSSABVLC-INIZCTEOSA-N 1 1 347.440 0.781 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(CC(=O)NCC#N)C2)O1 ZINC000880500907 590398433 /nfs/dbraw/zinc/39/84/33/590398433.db2.gz VPNAIRZJLWKZJZ-QFBILLFUSA-N 1 1 342.443 0.992 20 30 ECEDMO COCC[N@H+](C)CCCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876727776 590405110 /nfs/dbraw/zinc/40/51/10/590405110.db2.gz BXVZFMYLBHXMAL-QGZVFWFLSA-N 1 1 330.432 0.830 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876727776 590405113 /nfs/dbraw/zinc/40/51/13/590405113.db2.gz BXVZFMYLBHXMAL-QGZVFWFLSA-N 1 1 330.432 0.830 20 30 ECEDMO C#C[C@@H](CO)NC(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000878481332 590524580 /nfs/dbraw/zinc/52/45/80/590524580.db2.gz OWHJWRYBAWKUTJ-HNNXBMFYSA-N 1 1 344.415 0.580 20 30 ECEDMO C#CC1(F)CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000883693794 590651323 /nfs/dbraw/zinc/65/13/23/590651323.db2.gz KWLBEBQYRCKRQR-AGUYFDCRSA-N 1 1 336.411 0.437 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885318038 590715625 /nfs/dbraw/zinc/71/56/25/590715625.db2.gz CUSXPFYDRZZCSA-HIFRSBDPSA-N 1 1 336.417 0.369 20 30 ECEDMO C[C@@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000885318132 590716274 /nfs/dbraw/zinc/71/62/74/590716274.db2.gz HTELHKNDELNROP-QKDZRIPBSA-N 1 1 339.461 0.644 20 30 ECEDMO C[C@@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000885318132 590716275 /nfs/dbraw/zinc/71/62/75/590716275.db2.gz HTELHKNDELNROP-QKDZRIPBSA-N 1 1 339.461 0.644 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000884189910 590768073 /nfs/dbraw/zinc/76/80/73/590768073.db2.gz PJFFKOUGPHQRTE-ZNMIVQPWSA-N 1 1 325.453 0.917 20 30 ECEDMO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN([C@@H]3CCC[C@@H]3O)CC1)C2 ZINC000884211516 590777189 /nfs/dbraw/zinc/77/71/89/590777189.db2.gz GSTZPSXEHKAKAM-YLADIXGZSA-N 1 1 332.448 0.183 20 30 ECEDMO N#CC1(C[C@@H](O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CCC1 ZINC000886081143 590792933 /nfs/dbraw/zinc/79/29/33/590792933.db2.gz JJPNHCADJORAQE-CVEARBPZSA-N 1 1 334.464 0.845 20 30 ECEDMO N#CC1(C[C@@H](O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CCC1 ZINC000886081143 590792936 /nfs/dbraw/zinc/79/29/36/590792936.db2.gz JJPNHCADJORAQE-CVEARBPZSA-N 1 1 334.464 0.845 20 30 ECEDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886205501 590812586 /nfs/dbraw/zinc/81/25/86/590812586.db2.gz OYDUYNAKKLEGAH-RGCMKSIDSA-N 1 1 325.434 0.256 20 30 ECEDMO C#CC[C@@H]1CC[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000886360534 590835423 /nfs/dbraw/zinc/83/54/23/590835423.db2.gz XIUKAPXAYSPHGN-TXKKKEFDSA-N 1 1 346.431 0.864 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000886360534 590835426 /nfs/dbraw/zinc/83/54/26/590835426.db2.gz XIUKAPXAYSPHGN-TXKKKEFDSA-N 1 1 346.431 0.864 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000886362602 590835538 /nfs/dbraw/zinc/83/55/38/590835538.db2.gz FKXFDCINMCNUMC-HNNXBMFYSA-N 1 1 329.400 0.512 20 30 ECEDMO CN1C(=O)C[C@H]([NH2+]CC(=O)NCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000887113879 590944345 /nfs/dbraw/zinc/94/43/45/590944345.db2.gz QUIQNTUKKRTVAY-XJKSGUPXSA-N 1 1 336.342 0.856 20 30 ECEDMO N#Cc1ccc([C@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CCO2)cc1 ZINC000887731188 590994790 /nfs/dbraw/zinc/99/47/90/590994790.db2.gz KXINBQBJVIDFEV-QZTJIDSGSA-N 1 1 340.427 0.848 20 30 ECEDMO N#Cc1ccc(OCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000889782990 591094518 /nfs/dbraw/zinc/09/45/18/591094518.db2.gz WIGMUGBRXCDNTI-IAGOWNOFSA-N 1 1 329.400 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCc3nn(CC)c(=O)cc3C2)C1 ZINC000890368821 591153504 /nfs/dbraw/zinc/15/35/04/591153504.db2.gz NHLOGNSIQPJAQJ-HNNXBMFYSA-N 1 1 343.431 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCc3nn(CC)c(=O)cc3C2)C1 ZINC000890368821 591153505 /nfs/dbraw/zinc/15/35/05/591153505.db2.gz NHLOGNSIQPJAQJ-HNNXBMFYSA-N 1 1 343.431 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000890377295 591155820 /nfs/dbraw/zinc/15/58/20/591155820.db2.gz IISXTTYVWKYHSG-AWEZNQCLSA-N 1 1 325.376 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000890377295 591155822 /nfs/dbraw/zinc/15/58/22/591155822.db2.gz IISXTTYVWKYHSG-AWEZNQCLSA-N 1 1 325.376 0.881 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000890377247 591155827 /nfs/dbraw/zinc/15/58/27/591155827.db2.gz SOTLEPFEQDEKOC-JKSUJKDBSA-N 1 1 348.447 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000890377247 591155830 /nfs/dbraw/zinc/15/58/30/591155830.db2.gz SOTLEPFEQDEKOC-JKSUJKDBSA-N 1 1 348.447 0.117 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2CC1 ZINC000946589397 611356453 /nfs/dbraw/zinc/35/64/53/611356453.db2.gz XBHBJXJWAXFRCT-CALCHBBNSA-N 1 1 329.444 0.803 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C ZINC000947984583 611369080 /nfs/dbraw/zinc/36/90/80/611369080.db2.gz IOJMQCYSBNMQRM-WCQYABFASA-N 1 1 341.843 0.612 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C ZINC000947984583 611369082 /nfs/dbraw/zinc/36/90/82/611369082.db2.gz IOJMQCYSBNMQRM-WCQYABFASA-N 1 1 341.843 0.612 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)N(C)C)CC[C@@H]2C1 ZINC000946623953 611370775 /nfs/dbraw/zinc/37/07/75/611370775.db2.gz WCGHWCPVEFUFPD-FGTMMUONSA-N 1 1 343.475 0.617 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)CC[C@@H]2C1 ZINC000946689485 611414764 /nfs/dbraw/zinc/41/47/64/611414764.db2.gz DJXSPTDJIHWRGT-LZWOXQAQSA-N 1 1 343.431 0.722 20 30 ECEDMO Cc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC000930514333 611438149 /nfs/dbraw/zinc/43/81/49/611438149.db2.gz AYGVDGCZZPVPBA-CJNGLKHVSA-N 1 1 344.415 0.318 20 30 ECEDMO Cc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000930514333 611438151 /nfs/dbraw/zinc/43/81/51/611438151.db2.gz AYGVDGCZZPVPBA-CJNGLKHVSA-N 1 1 344.415 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2nn(C)cc2C(=O)OCC)C1 ZINC000930735146 611458933 /nfs/dbraw/zinc/45/89/33/611458933.db2.gz OCQQUVPVKVFEFR-GFCCVEGCSA-N 1 1 333.392 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2nn(C)cc2C(=O)OCC)C1 ZINC000930735146 611458935 /nfs/dbraw/zinc/45/89/35/611458935.db2.gz OCQQUVPVKVFEFR-GFCCVEGCSA-N 1 1 333.392 0.816 20 30 ECEDMO C=CCCCCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000930948646 611486779 /nfs/dbraw/zinc/48/67/79/611486779.db2.gz JHGBZRFVMNIIDP-HZPDHXFCSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947370435 611502174 /nfs/dbraw/zinc/50/21/74/611502174.db2.gz TYJNXWQWZOTMSZ-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C ZINC000947454086 611544457 /nfs/dbraw/zinc/54/44/57/611544457.db2.gz CVLPNAUQUVQAEN-ZYHUDNBSSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C ZINC000947523273 611578780 /nfs/dbraw/zinc/57/87/80/611578780.db2.gz ADDVXCNYANRBSO-KGLIPLIRSA-N 1 1 332.404 0.106 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C ZINC000947523332 611579232 /nfs/dbraw/zinc/57/92/32/611579232.db2.gz AQFHIMPXHPKDBQ-CABCVRRESA-N 1 1 346.431 0.496 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2OCC(N)=O)C[C@H]1C ZINC000947523903 611579737 /nfs/dbraw/zinc/57/97/37/611579737.db2.gz KPVXVAQZIZHMPH-ZIAGYGMSSA-N 1 1 329.400 0.767 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000949238554 608593821 /nfs/dbraw/zinc/59/38/21/608593821.db2.gz JHCDHBGGROIHMV-OLZOCXBDSA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000949238554 608593824 /nfs/dbraw/zinc/59/38/24/608593824.db2.gz JHCDHBGGROIHMV-OLZOCXBDSA-N 1 1 343.855 0.813 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947369208 608599668 /nfs/dbraw/zinc/59/96/68/608599668.db2.gz HXDDSBQQWBRRMB-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO O=C(NCC#CCO)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000923771377 608626636 /nfs/dbraw/zinc/62/66/36/608626636.db2.gz OLAOEKOPDDVOAX-KRWDZBQOSA-N 1 1 331.416 0.572 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 ZINC000949386131 608664469 /nfs/dbraw/zinc/66/44/69/608664469.db2.gz UIUYVUZQIPGGTH-HNNXBMFYSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC000949406268 608670478 /nfs/dbraw/zinc/67/04/78/608670478.db2.gz WPQGJYLQODYXBX-UHFFFAOYSA-N 1 1 331.416 0.878 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC000949406268 608670480 /nfs/dbraw/zinc/67/04/80/608670480.db2.gz WPQGJYLQODYXBX-UHFFFAOYSA-N 1 1 331.416 0.878 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 ZINC000949440952 608679233 /nfs/dbraw/zinc/67/92/33/608679233.db2.gz HWGCFKSRVXGRPI-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 ZINC000949440952 608679234 /nfs/dbraw/zinc/67/92/34/608679234.db2.gz HWGCFKSRVXGRPI-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC000949450649 608683086 /nfs/dbraw/zinc/68/30/86/608683086.db2.gz DAGRBWLWLIBZDP-UHFFFAOYSA-N 1 1 330.388 0.100 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC000949450649 608683089 /nfs/dbraw/zinc/68/30/89/608683089.db2.gz DAGRBWLWLIBZDP-UHFFFAOYSA-N 1 1 330.388 0.100 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949489870 608706608 /nfs/dbraw/zinc/70/66/08/608706608.db2.gz UCDSXBKHKCIVLO-HNNXBMFYSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC([C@H]3COC(=O)N3)CC2)C1 ZINC000924035640 608727435 /nfs/dbraw/zinc/72/74/35/608727435.db2.gz JOZUKFDPPQSWLB-LSDHHAIUSA-N 1 1 334.420 0.614 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC([C@H]3COC(=O)N3)CC2)C1 ZINC000924035640 608727438 /nfs/dbraw/zinc/72/74/38/608727438.db2.gz JOZUKFDPPQSWLB-LSDHHAIUSA-N 1 1 334.420 0.614 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000936915476 608732395 /nfs/dbraw/zinc/73/23/95/608732395.db2.gz ZNJRPWNZQAFJHA-HUUCEWRRSA-N 1 1 329.404 0.653 20 30 ECEDMO Cn1cc(C2=NC[C@@H](C[NH+]3CCC4(CC3)CC(=O)C=CO4)O2)cn1 ZINC000933644576 608766655 /nfs/dbraw/zinc/76/66/55/608766655.db2.gz BDTULJSIKBGBMN-HNNXBMFYSA-N 1 1 330.388 0.903 20 30 ECEDMO CCN1CCN(C(=O)[C@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933651795 608767616 /nfs/dbraw/zinc/76/76/16/608767616.db2.gz CAACPBAGUPAPJP-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2-n2cnnn2)C[C@@H]1C ZINC000947479976 608785936 /nfs/dbraw/zinc/78/59/36/608785936.db2.gz QVYYGBCYFHIKOI-NWDGAFQWSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ncccn2)CC1 ZINC000947229772 608793775 /nfs/dbraw/zinc/79/37/75/608793775.db2.gz HIWYKWHDXLBMOQ-HNNXBMFYSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ncccn2)CC1 ZINC000947229772 608793778 /nfs/dbraw/zinc/79/37/78/608793778.db2.gz HIWYKWHDXLBMOQ-HNNXBMFYSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000947230870 608826206 /nfs/dbraw/zinc/82/62/06/608826206.db2.gz VZCNPRGRXBCLGU-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000947230870 608826209 /nfs/dbraw/zinc/82/62/09/608826209.db2.gz VZCNPRGRXBCLGU-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3sccn3c2=O)C[C@H]1C ZINC000947514762 608850144 /nfs/dbraw/zinc/85/01/44/608850144.db2.gz AMNUYSLTFGVQEA-NEPJUHHUSA-N 1 1 330.413 0.972 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC000936910727 608865266 /nfs/dbraw/zinc/86/52/66/608865266.db2.gz KMAMZCWBQMNNDC-HIFRSBDPSA-N 1 1 346.435 0.231 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCn1cncn1 ZINC000947205588 608920709 /nfs/dbraw/zinc/92/07/09/608920709.db2.gz SQPKVAYEPWUJQU-GXTWGEPZSA-N 1 1 327.392 0.761 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCN1CCNC1=O ZINC000947205989 608921624 /nfs/dbraw/zinc/92/16/24/608921624.db2.gz ZHTYPYGPRKQLND-JSGCOSHPSA-N 1 1 344.419 0.494 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCN1CCNC1=O ZINC000947205991 608921922 /nfs/dbraw/zinc/92/19/22/608921922.db2.gz ZHTYPYGPRKQLND-TZMCWYRMSA-N 1 1 344.419 0.494 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CCCN(CC#N)CC1 ZINC000948631168 611672772 /nfs/dbraw/zinc/67/27/72/611672772.db2.gz LRZVRMKHHSBYDS-NDUQDZPOSA-N 1 1 332.448 0.686 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000936119610 608963316 /nfs/dbraw/zinc/96/33/16/608963316.db2.gz OUQSQOCVPDJMOB-KFWWJZLASA-N 1 1 332.404 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cccnc2)C1 ZINC000937615494 608971055 /nfs/dbraw/zinc/97/10/55/608971055.db2.gz KVVSAPLCIPBXTH-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cccnc2)C1 ZINC000937615494 608971057 /nfs/dbraw/zinc/97/10/57/608971057.db2.gz KVVSAPLCIPBXTH-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC000937783498 609084730 /nfs/dbraw/zinc/08/47/30/609084730.db2.gz UOJKFYQOXMHBSD-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC000937783498 609084734 /nfs/dbraw/zinc/08/47/34/609084734.db2.gz UOJKFYQOXMHBSD-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCOC1 ZINC000937277377 609102271 /nfs/dbraw/zinc/10/22/71/609102271.db2.gz BEVBNOGGXKIEQS-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCOC1 ZINC000937277377 609102273 /nfs/dbraw/zinc/10/22/73/609102273.db2.gz BEVBNOGGXKIEQS-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000937840575 609115336 /nfs/dbraw/zinc/11/53/36/609115336.db2.gz ACWCCWJWNPURSC-AWEZNQCLSA-N 1 1 343.431 0.949 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H](CC#N)C(F)(F)F)CC1 ZINC000932915313 611684046 /nfs/dbraw/zinc/68/40/46/611684046.db2.gz HJCYMWDLRZJJTO-NSHDSACASA-N 1 1 349.357 0.683 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000937976978 609429006 /nfs/dbraw/zinc/42/90/06/609429006.db2.gz YNMQMZLKANZQSE-ROUUACIJSA-N 1 1 339.439 0.879 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000937971094 609442330 /nfs/dbraw/zinc/44/23/30/609442330.db2.gz PFEPDOMDNCPYPR-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnnc(C)c2)C1 ZINC000938170963 609482358 /nfs/dbraw/zinc/48/23/58/609482358.db2.gz RKMGEUOVTWHZGK-HOTGVXAUSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnnc(C)c2)C1 ZINC000938170963 609482360 /nfs/dbraw/zinc/48/23/60/609482360.db2.gz RKMGEUOVTWHZGK-HOTGVXAUSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cnc(C)o2)C1 ZINC000938171028 609483173 /nfs/dbraw/zinc/48/31/73/609483173.db2.gz SNTFWDLAKCPWET-HOCLYGCPSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cnc(C)o2)C1 ZINC000938171028 609483174 /nfs/dbraw/zinc/48/31/74/609483174.db2.gz SNTFWDLAKCPWET-HOCLYGCPSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC000938171223 609483973 /nfs/dbraw/zinc/48/39/73/609483973.db2.gz YXCOEAOGHISSLX-RDJZCZTQSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC000938171223 609483974 /nfs/dbraw/zinc/48/39/74/609483974.db2.gz YXCOEAOGHISSLX-RDJZCZTQSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccc(C)n2)C1 ZINC000938171320 609484068 /nfs/dbraw/zinc/48/40/68/609484068.db2.gz BJQVQXKAJVZHNW-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccc(C)n2)C1 ZINC000938171320 609484071 /nfs/dbraw/zinc/48/40/71/609484071.db2.gz BJQVQXKAJVZHNW-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000938172596 609485592 /nfs/dbraw/zinc/48/55/92/609485592.db2.gz YBMOIPOPKSVVBZ-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000938172596 609485593 /nfs/dbraw/zinc/48/55/93/609485593.db2.gz YBMOIPOPKSVVBZ-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000938173309 609487237 /nfs/dbraw/zinc/48/72/37/609487237.db2.gz NSMISRVZXLISSF-NXOAAHMSSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000938173051 609487182 /nfs/dbraw/zinc/48/71/82/609487182.db2.gz MFUZOLVTMLLZLO-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000938173309 609487240 /nfs/dbraw/zinc/48/72/40/609487240.db2.gz NSMISRVZXLISSF-NXOAAHMSSA-N 1 1 329.444 0.847 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000938222607 609548400 /nfs/dbraw/zinc/54/84/00/609548400.db2.gz BOQQEBMWYVRQLJ-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC[N@@H+]2C)s1 ZINC000928571996 611702554 /nfs/dbraw/zinc/70/25/54/611702554.db2.gz UHMHRPIJOKGGSF-LLVKDONJSA-N 1 1 343.474 0.575 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000908014100 609637375 /nfs/dbraw/zinc/63/73/75/609637375.db2.gz WSOKACRLGXBZHV-NWDGAFQWSA-N 1 1 341.458 0.839 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000908014100 609637377 /nfs/dbraw/zinc/63/73/77/609637377.db2.gz WSOKACRLGXBZHV-NWDGAFQWSA-N 1 1 341.458 0.839 20 30 ECEDMO C=CCn1c(-c2cccnn2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000908710034 609658687 /nfs/dbraw/zinc/65/86/87/609658687.db2.gz JMSQQKRHKNRBOE-AWEZNQCLSA-N 1 1 341.419 0.832 20 30 ECEDMO C[C@@H](CNC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000919733288 609661319 /nfs/dbraw/zinc/66/13/19/609661319.db2.gz MCJHFZXGHDXABI-HRCADAONSA-N 1 1 337.468 0.582 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000919990278 609669114 /nfs/dbraw/zinc/66/91/14/609669114.db2.gz PKFPBBRKQODHNI-CJNGLKHVSA-N 1 1 336.461 0.665 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919990278 609669116 /nfs/dbraw/zinc/66/91/16/609669116.db2.gz PKFPBBRKQODHNI-CJNGLKHVSA-N 1 1 336.461 0.665 20 30 ECEDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)C#N)C2 ZINC000920273336 609677428 /nfs/dbraw/zinc/67/74/28/609677428.db2.gz GUHKSOQWRQEQTR-HGTKMLMNSA-N 1 1 343.493 0.935 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@@H]2C(C)C)c1=O ZINC000920484948 609684371 /nfs/dbraw/zinc/68/43/71/609684371.db2.gz LCAXDPPJUXENMR-CQSZACIVSA-N 1 1 334.420 0.622 20 30 ECEDMO C[NH+]1CCN(C(=O)CNS(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000920535979 609685032 /nfs/dbraw/zinc/68/50/32/609685032.db2.gz WZNSKVLUOVUKMU-UHFFFAOYSA-N 1 1 342.465 0.154 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C ZINC000947852832 609695901 /nfs/dbraw/zinc/69/59/01/609695901.db2.gz MISRLFHUXLXSRX-GDBMZVCRSA-N 1 1 330.432 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC000938283654 609699203 /nfs/dbraw/zinc/69/92/03/609699203.db2.gz IBMDRVNQSYRLSA-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC000938283654 609699204 /nfs/dbraw/zinc/69/92/04/609699204.db2.gz IBMDRVNQSYRLSA-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921321515 609702721 /nfs/dbraw/zinc/70/27/21/609702721.db2.gz GKXFNAXDIFYEHY-UPJWGTAASA-N 1 1 332.495 0.635 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921321515 609702723 /nfs/dbraw/zinc/70/27/23/609702723.db2.gz GKXFNAXDIFYEHY-UPJWGTAASA-N 1 1 332.495 0.635 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921322487 609702997 /nfs/dbraw/zinc/70/29/97/609702997.db2.gz SZBMMRYMQHRXNN-MGPQQGTHSA-N 1 1 346.522 0.882 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921322487 609702998 /nfs/dbraw/zinc/70/29/98/609702998.db2.gz SZBMMRYMQHRXNN-MGPQQGTHSA-N 1 1 346.522 0.882 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000921435945 609716212 /nfs/dbraw/zinc/71/62/12/609716212.db2.gz LMZZYXYBFXCZTD-UHFFFAOYSA-N 1 1 349.412 0.393 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cnc3onc(C)c3c2)CC1 ZINC000921438687 609716559 /nfs/dbraw/zinc/71/65/59/609716559.db2.gz HHRNJQWFBHZYDV-UHFFFAOYSA-N 1 1 334.401 0.907 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)C2(C(=O)OCC)CCC2)CC1 ZINC000921436950 609716676 /nfs/dbraw/zinc/71/66/76/609716676.db2.gz IJGBVAMWQBZCEA-UHFFFAOYSA-N 1 1 328.434 0.489 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)C[C@H](OC)C2CCOCC2)CC1 ZINC000921437177 609716729 /nfs/dbraw/zinc/71/67/29/609716729.db2.gz OPXKYHZDFRIIPM-INIZCTEOSA-N 1 1 344.477 0.445 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000938290974 609756506 /nfs/dbraw/zinc/75/65/06/609756506.db2.gz KZZAPKYDHCMPTP-HNNXBMFYSA-N 1 1 340.427 0.892 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C[C@@H]1C ZINC000948017959 609766112 /nfs/dbraw/zinc/76/61/12/609766112.db2.gz YBKFLBFIJYTTDM-RYUDHWBXSA-N 1 1 327.812 0.857 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C[C@@H]1C ZINC000948017959 609766115 /nfs/dbraw/zinc/76/61/15/609766115.db2.gz YBKFLBFIJYTTDM-RYUDHWBXSA-N 1 1 327.812 0.857 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C[C@H]1C ZINC000948035626 609778852 /nfs/dbraw/zinc/77/88/52/609778852.db2.gz HJOZABUFOHZSPB-ZIAGYGMSSA-N 1 1 326.404 0.659 20 30 ECEDMO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@@H+]2CCC(=O)N(C)CCC#N)O1 ZINC000933194250 611714463 /nfs/dbraw/zinc/71/44/63/611714463.db2.gz BUJFPKIXVRFKOR-HRCADAONSA-N 1 1 339.436 0.643 20 30 ECEDMO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@H+]2CCC(=O)N(C)CCC#N)O1 ZINC000933194250 611714467 /nfs/dbraw/zinc/71/44/67/611714467.db2.gz BUJFPKIXVRFKOR-HRCADAONSA-N 1 1 339.436 0.643 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)Cc3csc(C#N)c3)[C@@H]2C1 ZINC000915432491 609912259 /nfs/dbraw/zinc/91/22/59/609912259.db2.gz UHHFXEDDPGEBFR-KGLIPLIRSA-N 1 1 341.458 0.854 20 30 ECEDMO N#Cc1ccc(NCCNC(=S)NCCC[NH+]2CCOCC2)nc1 ZINC000916017525 609929197 /nfs/dbraw/zinc/92/91/97/609929197.db2.gz DFCWQGXKVWFZIR-UHFFFAOYSA-N 1 1 348.476 0.552 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)NCC[NH+]2CCC(O)CC2)cs1 ZINC000916135613 609932832 /nfs/dbraw/zinc/93/28/32/609932832.db2.gz LDEDTCUFSHGOLU-UHFFFAOYSA-N 1 1 329.447 0.496 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn([C@@H]3COC[C@H]3OCC)nn2)C1 ZINC000923598914 609963900 /nfs/dbraw/zinc/96/39/00/609963900.db2.gz YNNVFIZJJYCVBE-FVQBIDKESA-N 1 1 347.419 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn([C@@H]3COC[C@H]3OCC)nn2)C1 ZINC000923598914 609963902 /nfs/dbraw/zinc/96/39/02/609963902.db2.gz YNNVFIZJJYCVBE-FVQBIDKESA-N 1 1 347.419 0.082 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912747463 609999865 /nfs/dbraw/zinc/99/98/65/609999865.db2.gz KDTZXURELCUHHR-HNNXBMFYSA-N 1 1 333.436 0.481 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912747463 609999867 /nfs/dbraw/zinc/99/98/67/609999867.db2.gz KDTZXURELCUHHR-HNNXBMFYSA-N 1 1 333.436 0.481 20 30 ECEDMO C#CC1(O)CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000912970065 610026176 /nfs/dbraw/zinc/02/61/76/610026176.db2.gz WPQOBRVUMFBZRO-UHFFFAOYSA-N 1 1 327.388 0.823 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC000938968784 610058722 /nfs/dbraw/zinc/05/87/22/610058722.db2.gz NWEUIBDPEXGXPT-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cnn(CC)n3)C2)c1 ZINC000939108845 610083692 /nfs/dbraw/zinc/08/36/92/610083692.db2.gz WCGYPJFWILOVDB-DYVFJYSZSA-N 1 1 338.415 0.925 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nncn3C)C2)nn1 ZINC000939294182 610149786 /nfs/dbraw/zinc/14/97/86/610149786.db2.gz YUSOTOHVYBBZHO-QWHCGFSZSA-N 1 1 344.423 0.233 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c1 ZINC000940011433 610185537 /nfs/dbraw/zinc/18/55/37/610185537.db2.gz XCGHHEZGEZNLSS-FRFSOERESA-N 1 1 340.427 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC000939502029 610218603 /nfs/dbraw/zinc/21/86/03/610218603.db2.gz JIFARXCUWBBDNO-ZBFHGGJFSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC000939502029 610218604 /nfs/dbraw/zinc/21/86/04/610218604.db2.gz JIFARXCUWBBDNO-ZBFHGGJFSA-N 1 1 343.431 0.400 20 30 ECEDMO C=C(C)CN1CC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941413817 610303045 /nfs/dbraw/zinc/30/30/45/610303045.db2.gz FTHYIXYVNPGZRM-WMZOPIPTSA-N 1 1 348.491 0.254 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cn3ccc(C)n3)CC2)C1 ZINC000941422352 610307503 /nfs/dbraw/zinc/30/75/03/610307503.db2.gz KZLLTTRJDNDWTH-MRXNPFEDSA-N 1 1 343.475 0.679 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000940596004 610309947 /nfs/dbraw/zinc/30/99/47/610309947.db2.gz FLQYABKUNTXOIZ-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000940596004 610309949 /nfs/dbraw/zinc/30/99/49/610309949.db2.gz FLQYABKUNTXOIZ-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ncc(OC)cc3F)CC2)C1 ZINC000941431114 610312216 /nfs/dbraw/zinc/31/22/16/610312216.db2.gz KASPMHBKKUKNAA-UHFFFAOYSA-N 1 1 346.406 0.695 20 30 ECEDMO C=CCN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941433136 610313067 /nfs/dbraw/zinc/31/30/67/610313067.db2.gz ODYJKNHLAJHMEX-QGZVFWFLSA-N 1 1 334.508 0.979 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)C1 ZINC000941437204 610315040 /nfs/dbraw/zinc/31/50/40/610315040.db2.gz VLQZVMUWMNBZFL-HNNXBMFYSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000940708422 610339537 /nfs/dbraw/zinc/33/95/37/610339537.db2.gz KFXXIEFIQXWCKN-TWMKSMIVSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000940708422 610339540 /nfs/dbraw/zinc/33/95/40/610339540.db2.gz KFXXIEFIQXWCKN-TWMKSMIVSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3nc(C)no3)CC2)C1 ZINC000941509481 610349954 /nfs/dbraw/zinc/34/99/54/610349954.db2.gz NGXSIUFZFVTNEV-UHFFFAOYSA-N 1 1 331.420 0.162 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000941528583 610360747 /nfs/dbraw/zinc/36/07/47/610360747.db2.gz SKEVLHIKTKOXQN-GFCCVEGCSA-N 1 1 333.392 0.570 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000940786227 610361743 /nfs/dbraw/zinc/36/17/43/610361743.db2.gz UTJXXICDINVERA-AWEZNQCLSA-N 1 1 341.477 0.262 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1 ZINC000942259989 610364977 /nfs/dbraw/zinc/36/49/77/610364977.db2.gz VCSQQNCHEXRXEM-MNOVXSKESA-N 1 1 327.406 0.553 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940781825 610368985 /nfs/dbraw/zinc/36/89/85/610368985.db2.gz CVHFXRZTFSYUGI-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000942284362 610373046 /nfs/dbraw/zinc/37/30/46/610373046.db2.gz ARWYGXSYRGDVEU-TZMCWYRMSA-N 1 1 338.371 0.758 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H](C)C1 ZINC000942288729 610381369 /nfs/dbraw/zinc/38/13/69/610381369.db2.gz SAMMGHSWZBVKGZ-JSGCOSHPSA-N 1 1 342.399 0.876 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000941593819 610389052 /nfs/dbraw/zinc/38/90/52/610389052.db2.gz UQBZDOTVJYNHLK-HZPDHXFCSA-N 1 1 346.475 0.130 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC000941587844 610397487 /nfs/dbraw/zinc/39/74/87/610397487.db2.gz WQLIGJITORKVPD-MRXNPFEDSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4nncn4c3)CC2)C1 ZINC000941605694 610404212 /nfs/dbraw/zinc/40/42/12/610404212.db2.gz UPWASCGMCFGBTP-UHFFFAOYSA-N 1 1 326.404 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2oncc2C)C1 ZINC000942331601 610404592 /nfs/dbraw/zinc/40/45/92/610404592.db2.gz GTZAVKPXGKVDPE-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2oncc2C)C1 ZINC000942331601 610404593 /nfs/dbraw/zinc/40/45/93/610404593.db2.gz GTZAVKPXGKVDPE-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2OCC(N)=O)[C@H](C)C1 ZINC000942369233 610417997 /nfs/dbraw/zinc/41/79/97/610417997.db2.gz XSYZKNYPYKAACK-UKRRQHHQSA-N 1 1 329.400 0.624 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC000941632517 610418503 /nfs/dbraw/zinc/41/85/03/610418503.db2.gz ITZGHJSVWDHSKG-HNNXBMFYSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC000941636605 610422240 /nfs/dbraw/zinc/42/22/40/610422240.db2.gz ORIXTJKSEDAAMQ-AWEZNQCLSA-N 1 1 344.463 0.314 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000940875992 610422601 /nfs/dbraw/zinc/42/26/01/610422601.db2.gz VMFLNJPJKBXUOE-OAHLLOKOSA-N 1 1 346.431 0.353 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)C(C)(C)C1 ZINC000940896737 610423811 /nfs/dbraw/zinc/42/38/11/610423811.db2.gz XZBIJTQZDXGHSF-CQSZACIVSA-N 1 1 326.404 0.827 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941675251 610448299 /nfs/dbraw/zinc/44/82/99/610448299.db2.gz VPYUJSFXXZILBR-SFHVURJKSA-N 1 1 332.492 0.713 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H](c3cccnc3)N(C)C)CC2)C1 ZINC000941677366 610450355 /nfs/dbraw/zinc/45/03/55/610450355.db2.gz NLLPYBIZYDUAAW-SFHVURJKSA-N 1 1 343.475 0.699 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3nnnc3c2)C(C)(C)C1 ZINC000940945260 610456486 /nfs/dbraw/zinc/45/64/86/610456486.db2.gz ZLCZKAPNBIRQMV-CQSZACIVSA-N 1 1 326.404 0.978 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000941002610 610479952 /nfs/dbraw/zinc/47/99/52/610479952.db2.gz XCUKZCXXPVHBTP-CABCVRRESA-N 1 1 326.400 0.891 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1 ZINC000941029686 610505653 /nfs/dbraw/zinc/50/56/53/610505653.db2.gz YUZIZUFQGBMKNO-PMPSAXMXSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](C)C1 ZINC000942548195 610508275 /nfs/dbraw/zinc/50/82/75/610508275.db2.gz RTBCVMXBCZVROY-ZYHUDNBSSA-N 1 1 330.396 0.320 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](C)C1 ZINC000942548902 610508644 /nfs/dbraw/zinc/50/86/44/610508644.db2.gz ZXJNXQKOBJAYIS-DGCLKSJQSA-N 1 1 344.423 0.710 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@H](C)C1 ZINC000942581228 610525028 /nfs/dbraw/zinc/52/50/28/610525028.db2.gz CFZMTURBJKFHCR-TZMCWYRMSA-N 1 1 326.404 0.827 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC000941859265 610530668 /nfs/dbraw/zinc/53/06/68/610530668.db2.gz IMSFOUCYEIKFLE-RRFJBIMHSA-N 1 1 337.464 0.882 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000941102744 610537676 /nfs/dbraw/zinc/53/76/76/610537676.db2.gz REWGKXJIVHHKJA-INIZCTEOSA-N 1 1 340.427 0.689 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)C[C@H]2C)c1 ZINC000942616378 610538951 /nfs/dbraw/zinc/53/89/51/610538951.db2.gz LJWWUWGRNSJRBB-CJNGLKHVSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)C[C@H]2C)c1 ZINC000942616378 610538952 /nfs/dbraw/zinc/53/89/52/610538952.db2.gz LJWWUWGRNSJRBB-CJNGLKHVSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)cn1 ZINC000941879479 610550366 /nfs/dbraw/zinc/55/03/66/610550366.db2.gz HFWDPZHQOFFHED-MRXNPFEDSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941941483 610570974 /nfs/dbraw/zinc/57/09/74/610570974.db2.gz CTMFCHYKLGSLSX-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)CC2(C)C)cn1 ZINC000941169688 610583669 /nfs/dbraw/zinc/58/36/69/610583669.db2.gz QAMHITRKURHNQW-OAHLLOKOSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)CC2(C)C)cn1 ZINC000941169688 610583670 /nfs/dbraw/zinc/58/36/70/610583670.db2.gz QAMHITRKURHNQW-OAHLLOKOSA-N 1 1 328.416 0.639 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H](C)C1 ZINC000942720046 610584689 /nfs/dbraw/zinc/58/46/89/610584689.db2.gz HMNNLGAEZHBRKP-HUUCEWRRSA-N 1 1 344.459 0.987 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941225684 610609980 /nfs/dbraw/zinc/60/99/80/610609980.db2.gz HQXLMPFWOMSVMD-OLZOCXBDSA-N 1 1 329.466 0.471 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000941237996 610621561 /nfs/dbraw/zinc/62/15/61/610621561.db2.gz OUFPDAOARXFUHG-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000941237996 610621564 /nfs/dbraw/zinc/62/15/64/610621564.db2.gz OUFPDAOARXFUHG-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 ZINC000941238272 610622062 /nfs/dbraw/zinc/62/20/62/610622062.db2.gz XCRQOVOUGLOAQY-XHSDSOJGSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 ZINC000941238272 610622065 /nfs/dbraw/zinc/62/20/65/610622065.db2.gz XCRQOVOUGLOAQY-XHSDSOJGSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CC(OCC)C2)C1 ZINC000941238143 610622328 /nfs/dbraw/zinc/62/23/28/610622328.db2.gz VQMCNEDRMSCNCM-MYBQVCMBSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CC(OCC)C2)C1 ZINC000941238143 610622330 /nfs/dbraw/zinc/62/23/30/610622330.db2.gz VQMCNEDRMSCNCM-MYBQVCMBSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC000942064563 610632296 /nfs/dbraw/zinc/63/22/96/610632296.db2.gz ZARPDFLTGYPQNQ-OAFZBRQQSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC000942064563 610632298 /nfs/dbraw/zinc/63/22/98/610632298.db2.gz ZARPDFLTGYPQNQ-OAFZBRQQSA-N 1 1 329.444 0.991 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942057816 610636181 /nfs/dbraw/zinc/63/61/81/610636181.db2.gz PQNZAAIKMWRLLV-RISCZKNCSA-N 1 1 345.432 0.633 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@H](C)C1 ZINC000942118813 610661645 /nfs/dbraw/zinc/66/16/45/610661645.db2.gz ZDASPGUSNYSIOD-YPMHNXCESA-N 1 1 327.388 0.747 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)CC1 ZINC000941348933 610685523 /nfs/dbraw/zinc/68/55/23/610685523.db2.gz SYSDIIOXKMWPJQ-ZBFHGGJFSA-N 1 1 334.464 0.790 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000941351351 610687317 /nfs/dbraw/zinc/68/73/17/610687317.db2.gz PKLVCPPKZHJHOO-KBPBESRZSA-N 1 1 329.404 0.981 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3cnn(C)c3C)CC2)C1 ZINC000941424740 610724575 /nfs/dbraw/zinc/72/45/75/610724575.db2.gz ZHOWKSSXNYGWPH-UHFFFAOYSA-N 1 1 343.475 0.513 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000944148606 610758281 /nfs/dbraw/zinc/75/82/81/610758281.db2.gz QLNTZOUTJXAHES-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)nc1 ZINC000944170148 610763938 /nfs/dbraw/zinc/76/39/38/610763938.db2.gz NOVYJRDNTBKEDF-JKSUJKDBSA-N 1 1 340.427 0.735 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943289659 610782020 /nfs/dbraw/zinc/78/20/20/610782020.db2.gz NERJERWZPHZFNK-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943289659 610782023 /nfs/dbraw/zinc/78/20/23/610782023.db2.gz NERJERWZPHZFNK-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C[C@H]2C)cn1 ZINC000944215039 610787464 /nfs/dbraw/zinc/78/74/64/610787464.db2.gz QCXWATOXTXVTDC-CZUORRHYSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCS(C)(=O)=O)C[C@H]2C)cn1 ZINC000944215039 610787465 /nfs/dbraw/zinc/78/74/65/610787465.db2.gz QCXWATOXTXVTDC-CZUORRHYSA-N 1 1 349.456 0.548 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1C ZINC000944215794 610787759 /nfs/dbraw/zinc/78/77/59/610787759.db2.gz UWNUMTARNOXFHF-OCCSQVGLSA-N 1 1 330.388 0.019 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1C ZINC000944215794 610787760 /nfs/dbraw/zinc/78/77/60/610787760.db2.gz UWNUMTARNOXFHF-OCCSQVGLSA-N 1 1 330.388 0.019 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C(F)F)CC2 ZINC000944815159 610796392 /nfs/dbraw/zinc/79/63/92/610796392.db2.gz NNWHMGVSIUWIFV-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C(F)F)CC2 ZINC000944815159 610796393 /nfs/dbraw/zinc/79/63/93/610796393.db2.gz NNWHMGVSIUWIFV-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1conc1C ZINC000944250397 610806647 /nfs/dbraw/zinc/80/66/47/610806647.db2.gz KOTRNLMPDHJRKT-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1conc1C ZINC000944250397 610806649 /nfs/dbraw/zinc/80/66/49/610806649.db2.gz KOTRNLMPDHJRKT-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCCN(C(=O)C#CC3CC3)C2)O1 ZINC000943336769 610807451 /nfs/dbraw/zinc/80/74/51/610807451.db2.gz DIZRTLOSJJLORP-HYVNUMGLSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCCN(C(=O)C#CC3CC3)C2)O1 ZINC000943336769 610807452 /nfs/dbraw/zinc/80/74/52/610807452.db2.gz DIZRTLOSJJLORP-HYVNUMGLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2cc[nH]n2)C1 ZINC000943338787 610808391 /nfs/dbraw/zinc/80/83/91/610808391.db2.gz ZASJSSRMDICCBD-ZBFHGGJFSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2cc[nH]n2)C1 ZINC000943338787 610808393 /nfs/dbraw/zinc/80/83/93/610808393.db2.gz ZASJSSRMDICCBD-ZBFHGGJFSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1n[nH]cc1F ZINC000944268897 610813957 /nfs/dbraw/zinc/81/39/57/610813957.db2.gz NSCYSOSOGMYGFL-OCCSQVGLSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1n[nH]cc1F ZINC000944268897 610813958 /nfs/dbraw/zinc/81/39/58/610813958.db2.gz NSCYSOSOGMYGFL-OCCSQVGLSA-N 1 1 347.394 0.367 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@H](C)C1 ZINC000943514470 610881293 /nfs/dbraw/zinc/88/12/93/610881293.db2.gz CTXKDDVNWYVKSU-OCCSQVGLSA-N 1 1 327.388 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cccn1C ZINC000943868461 611009370 /nfs/dbraw/zinc/00/93/70/611009370.db2.gz RRNVINDTTGXTRX-CVEARBPZSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cccn1C ZINC000943868461 611009373 /nfs/dbraw/zinc/00/93/73/611009373.db2.gz RRNVINDTTGXTRX-CVEARBPZSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H](C)C1 ZINC000944621457 611018403 /nfs/dbraw/zinc/01/84/03/611018403.db2.gz WZXNCLIVJXHDMF-JSGCOSHPSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C=C)CCO1 ZINC000944643742 611049054 /nfs/dbraw/zinc/04/90/54/611049054.db2.gz AOZQXHXYOJVTNC-CVEARBPZSA-N 1 1 347.459 0.640 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C=C)CCO1 ZINC000944643742 611049055 /nfs/dbraw/zinc/04/90/55/611049055.db2.gz AOZQXHXYOJVTNC-CVEARBPZSA-N 1 1 347.459 0.640 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCO1 ZINC000944645805 611054998 /nfs/dbraw/zinc/05/49/98/611054998.db2.gz ZGDGFOKYPPGHCT-VGWMRTNUSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCO1 ZINC000944645805 611055001 /nfs/dbraw/zinc/05/50/01/611055001.db2.gz ZGDGFOKYPPGHCT-VGWMRTNUSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)(C)F)CCO1 ZINC000944647161 611056398 /nfs/dbraw/zinc/05/63/98/611056398.db2.gz MCWYISLXPFWMDP-KBPBESRZSA-N 1 1 339.411 0.176 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)(C)F)CCO1 ZINC000944647161 611056401 /nfs/dbraw/zinc/05/64/01/611056401.db2.gz MCWYISLXPFWMDP-KBPBESRZSA-N 1 1 339.411 0.176 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2ccco2)CCO1 ZINC000944647215 611056566 /nfs/dbraw/zinc/05/65/66/611056566.db2.gz MOQJCGXWUUVBAK-GJZGRUSLSA-N 1 1 345.399 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2ccco2)CCO1 ZINC000944647215 611056569 /nfs/dbraw/zinc/05/65/69/611056569.db2.gz MOQJCGXWUUVBAK-GJZGRUSLSA-N 1 1 345.399 0.334 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC000943963441 611059312 /nfs/dbraw/zinc/05/93/12/611059312.db2.gz PANZIQCYUZYIPU-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 ZINC000944014007 611085525 /nfs/dbraw/zinc/08/55/25/611085525.db2.gz CJJPDABOKKDZHK-CMPLNLGQSA-N 1 1 342.827 0.507 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 ZINC000944014007 611085527 /nfs/dbraw/zinc/08/55/27/611085527.db2.gz CJJPDABOKKDZHK-CMPLNLGQSA-N 1 1 342.827 0.507 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000944027354 611088805 /nfs/dbraw/zinc/08/88/05/611088805.db2.gz HLQJZTVGCJAQOW-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccnnc1 ZINC000944098707 611130978 /nfs/dbraw/zinc/13/09/78/611130978.db2.gz FIOXKWCBMPAMAP-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccnnc1 ZINC000944098707 611130979 /nfs/dbraw/zinc/13/09/79/611130979.db2.gz FIOXKWCBMPAMAP-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC000944098474 611131192 /nfs/dbraw/zinc/13/11/92/611131192.db2.gz YMNIEHQVMVNMIL-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC000944098474 611131193 /nfs/dbraw/zinc/13/11/93/611131193.db2.gz YMNIEHQVMVNMIL-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(N)=O)CC[C@@H]2C1 ZINC000946857035 611199933 /nfs/dbraw/zinc/19/99/33/611199933.db2.gz YOXCLKVXQAAQTJ-OWCLPIDISA-N 1 1 332.448 0.723 20 30 ECEDMO C#CC[C@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1=O ZINC000925371825 611208839 /nfs/dbraw/zinc/20/88/39/611208839.db2.gz QUTBIZKQZPDGJV-DLBZAZTESA-N 1 1 340.427 0.746 20 30 ECEDMO C#CC[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1=O ZINC000925371825 611208842 /nfs/dbraw/zinc/20/88/42/611208842.db2.gz QUTBIZKQZPDGJV-DLBZAZTESA-N 1 1 340.427 0.746 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(CC)CCO3)CC[C@@H]2C1 ZINC000946896458 611236890 /nfs/dbraw/zinc/23/68/90/611236890.db2.gz JTKOOGKXIMXBAH-KSZLIROESA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC[C@H]3O)C1 ZINC000923554277 611260065 /nfs/dbraw/zinc/26/00/65/611260065.db2.gz MCWLWWOAHJQZQE-MLGOLLRUSA-N 1 1 329.400 0.984 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC[C@H]3O)C1 ZINC000923554277 611260066 /nfs/dbraw/zinc/26/00/66/611260066.db2.gz MCWLWWOAHJQZQE-MLGOLLRUSA-N 1 1 329.400 0.984 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CCn3cccn3)n2)C1 ZINC000923558445 611261000 /nfs/dbraw/zinc/26/10/00/611261000.db2.gz ZYDUKJMQEMXGRD-OAHLLOKOSA-N 1 1 326.404 0.607 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CCn3cccn3)n2)C1 ZINC000923558445 611261003 /nfs/dbraw/zinc/26/10/03/611261003.db2.gz ZYDUKJMQEMXGRD-OAHLLOKOSA-N 1 1 326.404 0.607 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)C1 ZINC000923560686 611261913 /nfs/dbraw/zinc/26/19/13/611261913.db2.gz FBVQNYIILOXVCQ-MAUKXSAKSA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)C1 ZINC000923560686 611261914 /nfs/dbraw/zinc/26/19/14/611261914.db2.gz FBVQNYIILOXVCQ-MAUKXSAKSA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000923561265 611262280 /nfs/dbraw/zinc/26/22/80/611262280.db2.gz WSXZFDVAHNXFSQ-YQQAZPJKSA-N 1 1 343.431 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000923561265 611262282 /nfs/dbraw/zinc/26/22/82/611262282.db2.gz WSXZFDVAHNXFSQ-YQQAZPJKSA-N 1 1 343.431 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN2CCc3ccccc3C2=O)C1 ZINC000923561094 611262354 /nfs/dbraw/zinc/26/23/54/611262354.db2.gz RFCGWEGDHUXZRN-INIZCTEOSA-N 1 1 325.412 0.899 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2CCc3ccccc3C2=O)C1 ZINC000923561094 611262355 /nfs/dbraw/zinc/26/23/55/611262355.db2.gz RFCGWEGDHUXZRN-INIZCTEOSA-N 1 1 325.412 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000923579995 611268204 /nfs/dbraw/zinc/26/82/04/611268204.db2.gz VMXZXCWABYEMKA-KBPBESRZSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000923579995 611268207 /nfs/dbraw/zinc/26/82/07/611268207.db2.gz VMXZXCWABYEMKA-KBPBESRZSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000923590016 611270557 /nfs/dbraw/zinc/27/05/57/611270557.db2.gz WMLKCIRCXVXUSL-CQSZACIVSA-N 1 1 339.399 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000923590016 611270559 /nfs/dbraw/zinc/27/05/59/611270559.db2.gz WMLKCIRCXVXUSL-CQSZACIVSA-N 1 1 339.399 0.395 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000923590589 611270853 /nfs/dbraw/zinc/27/08/53/611270853.db2.gz XIVULCPUWMOKQP-TUAOUCFPSA-N 1 1 331.338 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000923590589 611270854 /nfs/dbraw/zinc/27/08/54/611270854.db2.gz XIVULCPUWMOKQP-TUAOUCFPSA-N 1 1 331.338 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000923593833 611274832 /nfs/dbraw/zinc/27/48/32/611274832.db2.gz XJXMXAQBLSSISF-QXSJWSMHSA-N 1 1 345.443 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000923593833 611274833 /nfs/dbraw/zinc/27/48/33/611274833.db2.gz XJXMXAQBLSSISF-QXSJWSMHSA-N 1 1 345.443 0.764 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000946494212 611284707 /nfs/dbraw/zinc/28/47/07/611284707.db2.gz CKHLQVINSPIQLX-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000834691044 611296865 /nfs/dbraw/zinc/29/68/65/611296865.db2.gz HQISAKRAJFFYAI-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]3CC2)c[nH]1 ZINC000946558795 611319143 /nfs/dbraw/zinc/31/91/43/611319143.db2.gz LREJCUQZMYPJQR-DVOMOZLQSA-N 1 1 341.415 0.559 20 30 ECEDMO NS(=O)(=O)c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)s1 ZINC000844590446 611321116 /nfs/dbraw/zinc/32/11/16/611321116.db2.gz WIZOLKWWVSESPJ-AOOOYVTPSA-N 1 1 327.435 0.589 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCO[C@](C)(C#N)C2)C1 ZINC000933593957 611734828 /nfs/dbraw/zinc/73/48/28/611734828.db2.gz FZWFWWYAJVTRBV-DOTOQJQBSA-N 1 1 338.452 0.074 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C ZINC000947899945 611736254 /nfs/dbraw/zinc/73/62/54/611736254.db2.gz OALFHYQVPOLRJF-ZIAGYGMSSA-N 1 1 333.436 0.536 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933699486 611742554 /nfs/dbraw/zinc/74/25/54/611742554.db2.gz NADMXXYCNTVDCQ-MCIONIFRSA-N 1 1 331.482 0.656 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)[C@H](C)C2)nc1 ZINC000947948633 611752593 /nfs/dbraw/zinc/75/25/93/611752593.db2.gz OLZTVYHJWHRGEW-GDBMZVCRSA-N 1 1 338.415 0.937 20 30 ECEDMO C(#CC[N@@H+]1CCC[C@@H]1C1OCCO1)CN1CCC[C@@H]1C1OCCO1 ZINC000933899591 611758472 /nfs/dbraw/zinc/75/84/72/611758472.db2.gz CVQLRSGAXCLUKY-HZPDHXFCSA-N 1 1 336.432 0.664 20 30 ECEDMO C(#CC[N@H+]1CCC[C@@H]1C1OCCO1)CN1CCC[C@@H]1C1OCCO1 ZINC000933899591 611758473 /nfs/dbraw/zinc/75/84/73/611758473.db2.gz CVQLRSGAXCLUKY-HZPDHXFCSA-N 1 1 336.432 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)cn1 ZINC000947968875 611759801 /nfs/dbraw/zinc/75/98/01/611759801.db2.gz RXMQPFFPZBNAAQ-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO CN(C(=O)CN1CCN(C)CC[N@@H+](C)CC1)C1(C#N)CCCCC1 ZINC000933994904 611764256 /nfs/dbraw/zinc/76/42/56/611764256.db2.gz AUBXYLBLJGDZPP-UHFFFAOYSA-N 1 1 335.496 0.850 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(CNC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000948956107 611768035 /nfs/dbraw/zinc/76/80/35/611768035.db2.gz MJTPZNHBTZWFIC-HNNXBMFYSA-N 1 1 343.431 0.806 20 30 ECEDMO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000948985323 611785642 /nfs/dbraw/zinc/78/56/42/611785642.db2.gz CNLWOKDIYFRQEB-CVEARBPZSA-N 1 1 349.456 0.580 20 30 ECEDMO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000948985323 611785643 /nfs/dbraw/zinc/78/56/43/611785643.db2.gz CNLWOKDIYFRQEB-CVEARBPZSA-N 1 1 349.456 0.580 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000929811675 611796972 /nfs/dbraw/zinc/79/69/72/611796972.db2.gz FAAYDCRTCAGECI-GOSISDBHSA-N 1 1 345.443 0.621 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)C(=O)N(C)Cc1cc(C#N)cs1 ZINC000929864268 611801280 /nfs/dbraw/zinc/80/12/80/611801280.db2.gz MERUDOMIGUMABM-UHFFFAOYSA-N 1 1 331.401 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccn2C)C1 ZINC000950645463 611814717 /nfs/dbraw/zinc/81/47/17/611814717.db2.gz ZIWXDUSCEVBPKF-INMHGKMJSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccn2C)C1 ZINC000950645463 611814719 /nfs/dbraw/zinc/81/47/19/611814719.db2.gz ZIWXDUSCEVBPKF-INMHGKMJSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000950076442 611858621 /nfs/dbraw/zinc/85/86/21/611858621.db2.gz DNQSLCNIHYNLHM-IRXDYDNUSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000950076442 611858622 /nfs/dbraw/zinc/85/86/22/611858622.db2.gz DNQSLCNIHYNLHM-IRXDYDNUSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC000949112004 611858808 /nfs/dbraw/zinc/85/88/08/611858808.db2.gz GPNASGMWKAYGMG-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC000949112004 611858810 /nfs/dbraw/zinc/85/88/10/611858810.db2.gz GPNASGMWKAYGMG-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)CCO2 ZINC000949170133 611886783 /nfs/dbraw/zinc/88/67/83/611886783.db2.gz DJRUTJNMZROLNO-UHFFFAOYSA-N 1 1 341.839 0.698 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1cc(C)cn1 ZINC000950754116 611889422 /nfs/dbraw/zinc/88/94/22/611889422.db2.gz QETHBZQFWCGLOT-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1cc(C)cn1 ZINC000950754116 611889425 /nfs/dbraw/zinc/88/94/25/611889425.db2.gz QETHBZQFWCGLOT-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000950755201 611890548 /nfs/dbraw/zinc/89/05/48/611890548.db2.gz GOYPNMRBKKKCGZ-CVEARBPZSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000950755201 611890551 /nfs/dbraw/zinc/89/05/51/611890551.db2.gz GOYPNMRBKKKCGZ-CVEARBPZSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1cnc(C)o1 ZINC000950755174 611890902 /nfs/dbraw/zinc/89/09/02/611890902.db2.gz FSRWLSNCVUUZNO-ZBFHGGJFSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1cnc(C)o1 ZINC000950755174 611890903 /nfs/dbraw/zinc/89/09/03/611890903.db2.gz FSRWLSNCVUUZNO-ZBFHGGJFSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1nn(C)cc1C ZINC000950755691 611891313 /nfs/dbraw/zinc/89/13/13/611891313.db2.gz RMQMLMMDODLESR-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1nn(C)cc1C ZINC000950755691 611891314 /nfs/dbraw/zinc/89/13/14/611891314.db2.gz RMQMLMMDODLESR-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnccc1C ZINC000949222692 611907243 /nfs/dbraw/zinc/90/72/43/611907243.db2.gz VWYAWKNWOGZCKY-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnccc1C ZINC000949222692 611907244 /nfs/dbraw/zinc/90/72/44/611907244.db2.gz VWYAWKNWOGZCKY-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000950229620 611914253 /nfs/dbraw/zinc/91/42/53/611914253.db2.gz AOMLUVVRJYWNLJ-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cncc(F)c1 ZINC000949361254 611952216 /nfs/dbraw/zinc/95/22/16/611952216.db2.gz OZPCVFKZCAIEHF-HOTGVXAUSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cncc(F)c1 ZINC000949361254 611952217 /nfs/dbraw/zinc/95/22/17/611952217.db2.gz OZPCVFKZCAIEHF-HOTGVXAUSA-N 1 1 344.390 0.649 20 30 ECEDMO N#CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370334 611954592 /nfs/dbraw/zinc/95/45/92/611954592.db2.gz PWFASMBWFPOITK-HOTGVXAUSA-N 1 1 348.447 0.067 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000950290502 611957982 /nfs/dbraw/zinc/95/79/82/611957982.db2.gz OGRPAJWXKUSPOG-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000950290502 611957985 /nfs/dbraw/zinc/95/79/85/611957985.db2.gz OGRPAJWXKUSPOG-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949399203 611964557 /nfs/dbraw/zinc/96/45/57/611964557.db2.gz YCRBBNNQFKUMAQ-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949399203 611964558 /nfs/dbraw/zinc/96/45/58/611964558.db2.gz YCRBBNNQFKUMAQ-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949399205 611964810 /nfs/dbraw/zinc/96/48/10/611964810.db2.gz YCRBBNNQFKUMAQ-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949399205 611964813 /nfs/dbraw/zinc/96/48/13/611964813.db2.gz YCRBBNNQFKUMAQ-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N[C@H](C)C3)CC2)C1 ZINC000949401347 611966015 /nfs/dbraw/zinc/96/60/15/611966015.db2.gz ADIYHBABKJALID-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N[C@H](C)C3)CC2)C1 ZINC000949401347 611966016 /nfs/dbraw/zinc/96/60/16/611966016.db2.gz ADIYHBABKJALID-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC000949509089 612014253 /nfs/dbraw/zinc/01/42/53/612014253.db2.gz LCWFINNQVAOBRU-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC000949509089 612014255 /nfs/dbraw/zinc/01/42/55/612014255.db2.gz LCWFINNQVAOBRU-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C[C@@H](C)O)CCO3)cn1 ZINC000949515375 612017555 /nfs/dbraw/zinc/01/75/55/612017555.db2.gz OHNOBDRNMGIUBN-OAHLLOKOSA-N 1 1 343.427 0.751 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4nncn4C3)CC2)C1 ZINC000949529383 612022556 /nfs/dbraw/zinc/02/25/56/612022556.db2.gz RBXBTTXTXOMHHY-HNNXBMFYSA-N 1 1 345.447 0.720 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4nncn4C3)CC2)C1 ZINC000949529383 612022558 /nfs/dbraw/zinc/02/25/58/612022558.db2.gz RBXBTTXTXOMHHY-HNNXBMFYSA-N 1 1 345.447 0.720 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950482377 612035517 /nfs/dbraw/zinc/03/55/17/612035517.db2.gz LFJMFIKGHYFHET-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000950517010 612049232 /nfs/dbraw/zinc/04/92/32/612049232.db2.gz FDSZFKALVLNEPK-IVMMDQJWSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(CC)C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC000949796284 612079032 /nfs/dbraw/zinc/07/90/32/612079032.db2.gz GRDIXXFNAVAHDN-HZPDHXFCSA-N 1 1 334.464 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ocnc2C)C1 ZINC000951223522 612088577 /nfs/dbraw/zinc/08/85/77/612088577.db2.gz JMTVANUVQKMNBM-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ocnc2C)C1 ZINC000951223522 612088578 /nfs/dbraw/zinc/08/85/78/612088578.db2.gz JMTVANUVQKMNBM-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)[C@H](C)OC)C2)C1 ZINC000953122567 612167717 /nfs/dbraw/zinc/16/77/17/612167717.db2.gz KDECLMVQTGFQAE-BXWFABGCSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)[C@H](C)OC)C2)C1 ZINC000953122567 612167719 /nfs/dbraw/zinc/16/77/19/612167719.db2.gz KDECLMVQTGFQAE-BXWFABGCSA-N 1 1 347.459 0.570 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCC[N@@H+]2C)nc1 ZINC000951376428 612192753 /nfs/dbraw/zinc/19/27/53/612192753.db2.gz FIOYVVRIGPGWJQ-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000952034505 612192979 /nfs/dbraw/zinc/19/29/79/612192979.db2.gz OBWMQQSVSGFNBE-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCCC[N@@H+]2C)cn1 ZINC000951385938 612198664 /nfs/dbraw/zinc/19/86/64/612198664.db2.gz PYGIEYAXDHYPOX-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000952154236 612253178 /nfs/dbraw/zinc/25/31/78/612253178.db2.gz MBJFAAXUSADQGY-QWHCGFSZSA-N 1 1 345.403 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ncoc2C)C1 ZINC000953842427 612346157 /nfs/dbraw/zinc/34/61/57/612346157.db2.gz JKANINUSIOEXFV-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ncoc2C)C1 ZINC000953842427 612346162 /nfs/dbraw/zinc/34/61/62/612346162.db2.gz JKANINUSIOEXFV-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954630361 612467086 /nfs/dbraw/zinc/46/70/86/612467086.db2.gz CWCITULRGKIZNJ-INIZCTEOSA-N 1 1 339.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954630361 612467090 /nfs/dbraw/zinc/46/70/90/612467090.db2.gz CWCITULRGKIZNJ-INIZCTEOSA-N 1 1 339.399 0.267 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnc(C)s2)C1 ZINC000954630766 612468378 /nfs/dbraw/zinc/46/83/78/612468378.db2.gz JBNWWQTZICGMMB-AWEZNQCLSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnc(C)s2)C1 ZINC000954630766 612468380 /nfs/dbraw/zinc/46/83/80/612468380.db2.gz JBNWWQTZICGMMB-AWEZNQCLSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000954631507 612470707 /nfs/dbraw/zinc/47/07/07/612470707.db2.gz YUOGXEVIVPNIEW-IHRRRGAJSA-N 1 1 339.386 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000954631507 612470711 /nfs/dbraw/zinc/47/07/11/612470711.db2.gz YUOGXEVIVPNIEW-IHRRRGAJSA-N 1 1 339.386 0.654 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000954638305 612479071 /nfs/dbraw/zinc/47/90/71/612479071.db2.gz UZDLNTCJIJWSQA-PVAVHDDUSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000954638305 612479072 /nfs/dbraw/zinc/47/90/72/612479072.db2.gz UZDLNTCJIJWSQA-PVAVHDDUSA-N 1 1 347.459 0.568 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953998025 612535776 /nfs/dbraw/zinc/53/57/76/612535776.db2.gz PUOASRDXPFOORV-GFCCVEGCSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc[nH]c2C)C1 ZINC000954000487 612538459 /nfs/dbraw/zinc/53/84/59/612538459.db2.gz FVPHWRXEUMUZGN-INIZCTEOSA-N 1 1 328.416 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc[nH]c2C)C1 ZINC000954000487 612538463 /nfs/dbraw/zinc/53/84/63/612538463.db2.gz FVPHWRXEUMUZGN-INIZCTEOSA-N 1 1 328.416 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ocnc2C)C1 ZINC000956793439 612555717 /nfs/dbraw/zinc/55/57/17/612555717.db2.gz CIVRTCFTBXYQOM-KSSFIOAISA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ocnc2C)C1 ZINC000956793439 612555718 /nfs/dbraw/zinc/55/57/18/612555718.db2.gz CIVRTCFTBXYQOM-KSSFIOAISA-N 1 1 344.415 0.801 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000956803560 612567705 /nfs/dbraw/zinc/56/77/05/612567705.db2.gz DULXTWWIYICRIW-RVZJWNSFSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@@H]2CCCO2)CC1 ZINC000953739166 612574480 /nfs/dbraw/zinc/57/44/80/612574480.db2.gz KVZUCBBOHVIUDP-IRXDYDNUSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@@H]2CCCO2)CC1 ZINC000953739166 612574482 /nfs/dbraw/zinc/57/44/82/612574482.db2.gz KVZUCBBOHVIUDP-IRXDYDNUSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000954044771 612585552 /nfs/dbraw/zinc/58/55/52/612585552.db2.gz PSJSDZJWBORVKO-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000954044771 612585558 /nfs/dbraw/zinc/58/55/58/612585558.db2.gz PSJSDZJWBORVKO-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cncn1C ZINC000956083746 612688196 /nfs/dbraw/zinc/68/81/96/612688196.db2.gz LJLJHCRBBHKGOD-GJZGRUSLSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cncn1C ZINC000956083746 612688200 /nfs/dbraw/zinc/68/82/00/612688200.db2.gz LJLJHCRBBHKGOD-GJZGRUSLSA-N 1 1 343.431 0.239 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000956935187 612717595 /nfs/dbraw/zinc/71/75/95/612717595.db2.gz QRXALIYRHIVIQH-HNAYVOBHSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954839928 612735184 /nfs/dbraw/zinc/73/51/84/612735184.db2.gz KDFOHEOEPLQAMS-OIISXLGYSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000954840876 612736777 /nfs/dbraw/zinc/73/67/77/612736777.db2.gz SWWXAZIRHALIQC-CYBMUJFWSA-N 1 1 346.435 0.089 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCOCC2)C1 ZINC000954172697 612736958 /nfs/dbraw/zinc/73/69/58/612736958.db2.gz PPMGXYHMJAJWGA-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCOCC2)C1 ZINC000954172697 612736961 /nfs/dbraw/zinc/73/69/61/612736961.db2.gz PPMGXYHMJAJWGA-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC000954911849 612781207 /nfs/dbraw/zinc/78/12/07/612781207.db2.gz PDSFJUONMDQNJH-QGZVFWFLSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H]2CCCO2)CC1 ZINC000956277924 612809432 /nfs/dbraw/zinc/80/94/32/612809432.db2.gz PQBFNQFHOPAYMC-JKSUJKDBSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H]2CCCO2)CC1 ZINC000956277924 612809435 /nfs/dbraw/zinc/80/94/35/612809435.db2.gz PQBFNQFHOPAYMC-JKSUJKDBSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccccn2)C1 ZINC000956636094 612926592 /nfs/dbraw/zinc/92/65/92/612926592.db2.gz ULSOIECCRNNITI-QFBILLFUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccccn2)C1 ZINC000956636094 612926593 /nfs/dbraw/zinc/92/65/93/612926593.db2.gz ULSOIECCRNNITI-QFBILLFUSA-N 1 1 340.427 0.900 20 30 ECEDMO N#Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C#N)c1 ZINC001164739290 720663219 /nfs/dbraw/zinc/66/32/19/720663219.db2.gz MTIJVCFJDMLBPK-CVEARBPZSA-N 1 1 347.382 0.957 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C)ncc3C#N)CC[C@@H]2C1 ZINC001164851866 720848109 /nfs/dbraw/zinc/84/81/09/720848109.db2.gz IILIRKXZQKTPKP-GDBMZVCRSA-N 1 1 331.420 0.830 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1 ZINC000971874732 735295914 /nfs/dbraw/zinc/29/59/14/735295914.db2.gz KJQMHHOIXLPPLT-DVOMOZLQSA-N 1 1 341.415 0.511 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)[C@H]2C1 ZINC001083231950 735378725 /nfs/dbraw/zinc/37/87/25/735378725.db2.gz AJPAITDSXVOJRA-UONOGXRCSA-N 1 1 348.403 0.226 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC000971996099 735481121 /nfs/dbraw/zinc/48/11/21/735481121.db2.gz MPOMVFIWDZKYMQ-YPMHNXCESA-N 1 1 337.811 0.651 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC000971996099 735481123 /nfs/dbraw/zinc/48/11/23/735481123.db2.gz MPOMVFIWDZKYMQ-YPMHNXCESA-N 1 1 337.811 0.651 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1=O ZINC000981957207 751339847 /nfs/dbraw/zinc/33/98/47/751339847.db2.gz GDAKMBHMPAZVGL-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO Cn1cnnc1C[NH2+]C[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001024933224 738408236 /nfs/dbraw/zinc/40/82/36/738408236.db2.gz XJFVBXUDJKQOGP-CQSZACIVSA-N 1 1 327.392 0.799 20 30 ECEDMO C#CCC[NH+]1CCC2(CC1)CN(C(=O)CCc1nc[nH]n1)C[C@H](C)O2 ZINC001098581052 737290967 /nfs/dbraw/zinc/29/09/67/737290967.db2.gz ZJGOAZZXDFTOOO-HNNXBMFYSA-N 1 1 345.447 0.843 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000987925036 751340719 /nfs/dbraw/zinc/34/07/19/751340719.db2.gz JOHIWXPEDIHTES-UONOGXRCSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccccc3O2)[C@@H](n2ccnn2)C1 ZINC001069973295 790264721 /nfs/dbraw/zinc/26/47/21/790264721.db2.gz WCLUINZRFTUTJQ-HLLBOEOZSA-N 1 1 339.399 0.809 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccccc3O2)[C@@H](n2ccnn2)C1 ZINC001069973295 790264726 /nfs/dbraw/zinc/26/47/26/790264726.db2.gz WCLUINZRFTUTJQ-HLLBOEOZSA-N 1 1 339.399 0.809 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)[C@@H](n2ccnn2)C1 ZINC001069973296 790264958 /nfs/dbraw/zinc/26/49/58/790264958.db2.gz WCLUINZRFTUTJQ-VYDXJSESSA-N 1 1 339.399 0.809 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)[C@@H](n2ccnn2)C1 ZINC001069973296 790264960 /nfs/dbraw/zinc/26/49/60/790264960.db2.gz WCLUINZRFTUTJQ-VYDXJSESSA-N 1 1 339.399 0.809 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC000969137321 731514034 /nfs/dbraw/zinc/51/40/34/731514034.db2.gz XJWVRBKCUWDBBI-IAGOWNOFSA-N 1 1 335.448 0.618 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000969150205 731526471 /nfs/dbraw/zinc/52/64/71/731526471.db2.gz DSURHCHFVBBIMU-QWHCGFSZSA-N 1 1 349.884 0.791 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000969150205 731526472 /nfs/dbraw/zinc/52/64/72/731526472.db2.gz DSURHCHFVBBIMU-QWHCGFSZSA-N 1 1 349.884 0.791 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069974719 790267803 /nfs/dbraw/zinc/26/78/03/790267803.db2.gz NGLRNQGGQCFPAW-CVEARBPZSA-N 1 1 343.435 0.709 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069974719 790267808 /nfs/dbraw/zinc/26/78/08/790267808.db2.gz NGLRNQGGQCFPAW-CVEARBPZSA-N 1 1 343.435 0.709 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N ZINC001125279640 731561248 /nfs/dbraw/zinc/56/12/48/731561248.db2.gz KVPCJFRQBPRJCC-UONOGXRCSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc3nccn32)[C@@H](n2ccnn2)C1 ZINC001069977322 790269901 /nfs/dbraw/zinc/26/99/01/790269901.db2.gz PCBUTVRAFLZISN-ZBFHGGJFSA-N 1 1 349.398 0.604 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc3nccn32)[C@@H](n2ccnn2)C1 ZINC001069977322 790269903 /nfs/dbraw/zinc/26/99/03/790269903.db2.gz PCBUTVRAFLZISN-ZBFHGGJFSA-N 1 1 349.398 0.604 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1ncccc1C#N ZINC001125279707 731565439 /nfs/dbraw/zinc/56/54/39/731565439.db2.gz MXWBWWXYUQMYKG-ZBFHGGJFSA-N 1 1 345.447 0.693 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](C)C(=O)NC)C3)C2)cn1 ZINC001041793265 782221429 /nfs/dbraw/zinc/22/14/29/782221429.db2.gz IHBWPPOIJLIQRD-LIRRHRJNSA-N 1 1 340.427 0.735 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001041794104 782222570 /nfs/dbraw/zinc/22/25/70/782222570.db2.gz AVFBDAMQDWZZID-KCPJHIHWSA-N 1 1 328.420 0.692 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cnn(C)c3)C2)C1=O ZINC000969277254 731665932 /nfs/dbraw/zinc/66/59/32/731665932.db2.gz UWJDEUVECHQPFW-SWLSCSKDSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC000969352503 731750113 /nfs/dbraw/zinc/75/01/13/731750113.db2.gz TZVYSTDOTRTSQZ-DOMZBBRYSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](n2ccnn2)C1 ZINC001069980528 790273615 /nfs/dbraw/zinc/27/36/15/790273615.db2.gz ZWQSLIVTJFCHCU-CABCVRRESA-N 1 1 329.408 0.401 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ncoc3C)C2)C1=O ZINC000969370409 731775071 /nfs/dbraw/zinc/77/50/71/731775071.db2.gz MLXVZHMIRIMCLT-FZMZJTMJSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001211501543 731778131 /nfs/dbraw/zinc/77/81/31/731778131.db2.gz JJTVQHNYTYFPEY-UMVBOHGHSA-N 1 1 333.436 0.262 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001211501543 731778134 /nfs/dbraw/zinc/77/81/34/731778134.db2.gz JJTVQHNYTYFPEY-UMVBOHGHSA-N 1 1 333.436 0.262 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969463309 731910201 /nfs/dbraw/zinc/91/02/01/731910201.db2.gz MWJZGVVWIRFEMS-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000969527645 731945677 /nfs/dbraw/zinc/94/56/77/731945677.db2.gz ZAERHTVYRGTZJA-MLGOLLRUSA-N 1 1 341.415 0.723 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041811363 782251553 /nfs/dbraw/zinc/25/15/53/782251553.db2.gz NKRKNZBNNQEUJU-AEFFLSMTSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nnc(C)[nH]2)C1 ZINC000969865893 732463965 /nfs/dbraw/zinc/46/39/65/732463965.db2.gz SFLZZZQENLUFIW-DOMZBBRYSA-N 1 1 330.436 0.147 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nnc(C)[nH]2)C1 ZINC000969865893 732463966 /nfs/dbraw/zinc/46/39/66/732463966.db2.gz SFLZZZQENLUFIW-DOMZBBRYSA-N 1 1 330.436 0.147 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cnnn2CC)C1 ZINC000969869009 732466932 /nfs/dbraw/zinc/46/69/32/732466932.db2.gz NSLOMMQHRAWDDI-PBHICJAKSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cnnn2CC)C1 ZINC000969869009 732466935 /nfs/dbraw/zinc/46/69/35/732466935.db2.gz NSLOMMQHRAWDDI-PBHICJAKSA-N 1 1 344.463 0.332 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC001098526440 732527587 /nfs/dbraw/zinc/52/75/87/732527587.db2.gz JLEYQSMSKMAVCV-OAHLLOKOSA-N 1 1 344.459 0.823 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC001098526440 732527590 /nfs/dbraw/zinc/52/75/90/732527590.db2.gz JLEYQSMSKMAVCV-OAHLLOKOSA-N 1 1 344.459 0.823 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC001098526440 732527591 /nfs/dbraw/zinc/52/75/91/732527591.db2.gz JLEYQSMSKMAVCV-OAHLLOKOSA-N 1 1 344.459 0.823 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cncc(C(N)=O)c3)[C@H]2C1 ZINC001083277807 738626582 /nfs/dbraw/zinc/62/65/82/738626582.db2.gz TZRDOWQSUKGCNG-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cncc(C(N)=O)c3)[C@H]2C1 ZINC001083277807 738626585 /nfs/dbraw/zinc/62/65/85/738626585.db2.gz TZRDOWQSUKGCNG-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001041820425 782269197 /nfs/dbraw/zinc/26/91/97/782269197.db2.gz PLQVFGZBCNUNSV-OAHLLOKOSA-N 1 1 340.811 0.215 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001041820425 782269200 /nfs/dbraw/zinc/26/92/00/782269200.db2.gz PLQVFGZBCNUNSV-OAHLLOKOSA-N 1 1 340.811 0.215 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 ZINC001083193912 732637939 /nfs/dbraw/zinc/63/79/39/732637939.db2.gz NANHPPXTQMUENB-JJRVBVJISA-N 1 1 338.427 0.634 20 30 ECEDMO C#CCCC[N@@H+]1CCOC[C@@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001209266827 732771711 /nfs/dbraw/zinc/77/17/11/732771711.db2.gz DNLYZBHZELSZOA-KRWDZBQOSA-N 1 1 332.404 0.268 20 30 ECEDMO C#CCCC[N@@H+]1C[C@H]2C[C@H]3[C@@](CN(CC(C)C)S3(=O)=O)(C1)O2 ZINC001209266787 732772924 /nfs/dbraw/zinc/77/29/24/732772924.db2.gz CRFVNQVKRCAORC-PMPSAXMXSA-N 1 1 326.462 0.913 20 30 ECEDMO C#CCCC[N@H+]1C[C@H]2C[C@H]3[C@@](CN(CC(C)C)S3(=O)=O)(C1)O2 ZINC001209266787 732772925 /nfs/dbraw/zinc/77/29/25/732772925.db2.gz CRFVNQVKRCAORC-PMPSAXMXSA-N 1 1 326.462 0.913 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836126 782311061 /nfs/dbraw/zinc/31/10/61/782311061.db2.gz PHDVILQOIKSMTN-DZGCQCFKSA-N 1 1 327.450 0.179 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104243185 733036917 /nfs/dbraw/zinc/03/69/17/733036917.db2.gz IXQOFPXNLGICPW-ZDUSSCGKSA-N 1 1 341.419 0.954 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccc(C#N)cn1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125327157 733046720 /nfs/dbraw/zinc/04/67/20/733046720.db2.gz GZKZHOLVVKNPOH-HZPDHXFCSA-N 1 1 345.447 0.693 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125327196 733047051 /nfs/dbraw/zinc/04/70/51/733047051.db2.gz IDCQCOGWHXTULD-JKSUJKDBSA-N 1 1 345.447 0.693 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC001098533062 733060984 /nfs/dbraw/zinc/06/09/84/733060984.db2.gz QMVUMAILUISTQI-AWEZNQCLSA-N 1 1 330.432 0.433 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC001098533139 733064737 /nfs/dbraw/zinc/06/47/37/733064737.db2.gz UMEKKWGMEUHQKH-AWEZNQCLSA-N 1 1 347.463 0.771 20 30 ECEDMO C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001098533139 733064739 /nfs/dbraw/zinc/06/47/39/733064739.db2.gz UMEKKWGMEUHQKH-AWEZNQCLSA-N 1 1 347.463 0.771 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001098533139 733064742 /nfs/dbraw/zinc/06/47/42/733064742.db2.gz UMEKKWGMEUHQKH-AWEZNQCLSA-N 1 1 347.463 0.771 20 30 ECEDMO C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001098533139 733064745 /nfs/dbraw/zinc/06/47/45/733064745.db2.gz UMEKKWGMEUHQKH-AWEZNQCLSA-N 1 1 347.463 0.771 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001098533139 733064747 /nfs/dbraw/zinc/06/47/47/733064747.db2.gz UMEKKWGMEUHQKH-AWEZNQCLSA-N 1 1 347.463 0.771 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(C(N)=O)cn3)[C@H]2C1 ZINC001083199674 733122098 /nfs/dbraw/zinc/12/20/98/733122098.db2.gz PUICBUCANONEQM-JKSUJKDBSA-N 1 1 344.415 0.590 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(C(N)=O)cn3)[C@H]2C1 ZINC001083199674 733122100 /nfs/dbraw/zinc/12/21/00/733122100.db2.gz PUICBUCANONEQM-JKSUJKDBSA-N 1 1 344.415 0.590 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)cc1 ZINC000970197798 733176001 /nfs/dbraw/zinc/17/60/01/733176001.db2.gz AAQBGVKYWZCALH-CQSZACIVSA-N 1 1 340.387 0.226 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC001125370593 733178439 /nfs/dbraw/zinc/17/84/39/733178439.db2.gz PWIXXMFMPCSYKG-GFCCVEGCSA-N 1 1 343.391 0.034 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nccn3CC)C2)nn1 ZINC000970206554 733201924 /nfs/dbraw/zinc/20/19/24/733201924.db2.gz XMDNBCKXACAPKW-CYBMUJFWSA-N 1 1 329.408 0.685 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC000970223563 733234669 /nfs/dbraw/zinc/23/46/69/733234669.db2.gz PFTNAEUBXBSRIU-ZIAGYGMSSA-N 1 1 330.432 0.997 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CCN([C@@H](C)C(N)=O)C3)C2)CC1 ZINC001041845175 782325417 /nfs/dbraw/zinc/32/54/17/782325417.db2.gz UQLRHQZBWVJANW-HNAYVOBHSA-N 1 1 346.475 0.130 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970353928 733403610 /nfs/dbraw/zinc/40/36/10/733403610.db2.gz ISGLBARFFYVYTE-BONVTDFDSA-N 1 1 345.378 0.315 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNc2ccc(C#N)nc2)CC1 ZINC001067471143 733436262 /nfs/dbraw/zinc/43/62/62/733436262.db2.gz UOAFLBHADOUQSU-INIZCTEOSA-N 1 1 343.431 0.813 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2O)C1 ZINC000970398703 733469744 /nfs/dbraw/zinc/46/97/44/733469744.db2.gz KMINCSDDYGYNJX-KGLIPLIRSA-N 1 1 332.404 0.236 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2O)C1 ZINC000970399270 733470754 /nfs/dbraw/zinc/47/07/54/733470754.db2.gz XFZCQRVTIAKQBM-ZNMIVQPWSA-N 1 1 335.448 0.515 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2O)C1 ZINC000970403158 733475179 /nfs/dbraw/zinc/47/51/79/733475179.db2.gz PBDQYWIQISLNIS-CABCVRRESA-N 1 1 335.448 0.515 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(N)=O)C2)cc1 ZINC000970538067 733656596 /nfs/dbraw/zinc/65/65/96/733656596.db2.gz KKDBVEUYOWBHHQ-STQMWFEESA-N 1 1 329.400 0.623 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCNC3=O)C2)cc1 ZINC000970538576 733657550 /nfs/dbraw/zinc/65/75/50/733657550.db2.gz QNXKWNLROVFRLQ-SUMWQHHRSA-N 1 1 341.411 0.637 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](CC)C(N)=O)C2)nn1 ZINC000970562189 733677093 /nfs/dbraw/zinc/67/70/93/733677093.db2.gz HCQWGOSKFZATKR-FZMZJTMJSA-N 1 1 334.424 0.168 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(=O)NC)C2)nn1 ZINC000970563103 733677637 /nfs/dbraw/zinc/67/76/37/733677637.db2.gz PYPIEBYXISVSAQ-RYUDHWBXSA-N 1 1 334.424 0.039 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC000970601113 733724681 /nfs/dbraw/zinc/72/46/81/733724681.db2.gz VQCHSWPHJYWPOR-ABAIWWIYSA-N 1 1 345.447 0.864 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)CC1 ZINC000970636701 733766911 /nfs/dbraw/zinc/76/69/11/733766911.db2.gz UZVLSOXWHGFNMN-UAGQMJEPSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)C1 ZINC000970645026 733776640 /nfs/dbraw/zinc/77/66/40/733776640.db2.gz BWGWBPBGKHJZNY-YUELXQCFSA-N 1 1 335.448 0.372 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC000970661950 733790363 /nfs/dbraw/zinc/79/03/63/733790363.db2.gz GVGISDIYODXWGP-ZIAGYGMSSA-N 1 1 331.420 0.388 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](OCC)C4CC4)C[C@H]32)nn1 ZINC001114942384 733793002 /nfs/dbraw/zinc/79/30/02/733793002.db2.gz LCQRVPISCCWBGW-WTTBNOFXSA-N 1 1 345.447 0.939 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCC3)C2)nc1 ZINC000970763714 733925885 /nfs/dbraw/zinc/92/58/85/733925885.db2.gz NWYIVRWKYXUGAY-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CCn3cccn3)C2)CC1 ZINC000970787913 733940996 /nfs/dbraw/zinc/94/09/96/733940996.db2.gz GJHOKVDWBOSIJK-QGZVFWFLSA-N 1 1 329.448 0.419 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC000970819476 733983056 /nfs/dbraw/zinc/98/30/56/733983056.db2.gz BUVACIQBIWTXDT-WFASDCNBSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)C3=COCCO3)C2)C1=O ZINC000971017175 734182724 /nfs/dbraw/zinc/18/27/24/734182724.db2.gz DFFJDEZXQZAIJS-ZIAGYGMSSA-N 1 1 335.404 0.194 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)C3=COCCO3)C2)C1=O ZINC000971017170 734182961 /nfs/dbraw/zinc/18/29/61/734182961.db2.gz DFFJDEZXQZAIJS-KGLIPLIRSA-N 1 1 335.404 0.194 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(C)n[nH]3)C2)C1=O ZINC000971160761 734326126 /nfs/dbraw/zinc/32/61/26/734326126.db2.gz MKKNLHODXOFJPZ-DZGCQCFKSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000971160761 734326130 /nfs/dbraw/zinc/32/61/30/734326130.db2.gz MKKNLHODXOFJPZ-DZGCQCFKSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000971160761 734326136 /nfs/dbraw/zinc/32/61/36/734326136.db2.gz MKKNLHODXOFJPZ-DZGCQCFKSA-N 1 1 331.420 0.651 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)n3ccsc3n2)C1 ZINC000971221822 734367126 /nfs/dbraw/zinc/36/71/26/734367126.db2.gz REMKOVNRUGNWFB-WCQYABFASA-N 1 1 345.428 0.948 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3ccsc3n2)C1 ZINC000971221822 734367129 /nfs/dbraw/zinc/36/71/29/734367129.db2.gz REMKOVNRUGNWFB-WCQYABFASA-N 1 1 345.428 0.948 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cn(C)nc3C)C2)C1=O ZINC000971222144 734367665 /nfs/dbraw/zinc/36/76/65/734367665.db2.gz TXLUMPPBFXMGLJ-HOCLYGCPSA-N 1 1 345.447 0.662 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239795 734382276 /nfs/dbraw/zinc/38/22/76/734382276.db2.gz SUVKYHJJNBGDDN-AWEZNQCLSA-N 1 1 330.388 0.475 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239795 734382280 /nfs/dbraw/zinc/38/22/80/734382280.db2.gz SUVKYHJJNBGDDN-AWEZNQCLSA-N 1 1 330.388 0.475 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(c2ccncc2C#N)CCO1 ZINC001104334925 734395689 /nfs/dbraw/zinc/39/56/89/734395689.db2.gz RBNOGLWPHJPPTG-OAHLLOKOSA-N 1 1 340.387 0.480 20 30 ECEDMO C[N@@H+](C[C@@H]1CCc2ncnn21)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971287898 734421041 /nfs/dbraw/zinc/42/10/41/734421041.db2.gz HDFWALWKSSQDIC-KBPBESRZSA-N 1 1 339.403 0.812 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC000949506981 734450178 /nfs/dbraw/zinc/45/01/78/734450178.db2.gz SNPLXFOWQQULKN-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC000949506981 734450181 /nfs/dbraw/zinc/45/01/81/734450181.db2.gz SNPLXFOWQQULKN-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC000971408101 734538286 /nfs/dbraw/zinc/53/82/86/734538286.db2.gz BEFQXHONMJMMAH-VNQPRFMTSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc[nH]n3)[C@@H]2C1 ZINC000971408101 734538289 /nfs/dbraw/zinc/53/82/89/734538289.db2.gz BEFQXHONMJMMAH-VNQPRFMTSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc[nH]n3)[C@@H]2C1 ZINC000971408101 734538290 /nfs/dbraw/zinc/53/82/90/734538290.db2.gz BEFQXHONMJMMAH-VNQPRFMTSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC000971408101 734538292 /nfs/dbraw/zinc/53/82/92/734538292.db2.gz BEFQXHONMJMMAH-VNQPRFMTSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC000971408101 734538294 /nfs/dbraw/zinc/53/82/94/734538294.db2.gz BEFQXHONMJMMAH-VNQPRFMTSA-N 1 1 341.415 0.180 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@@H+]2CC(N)=O)c[nH]1 ZINC001025218338 738827667 /nfs/dbraw/zinc/82/76/67/738827667.db2.gz KJFMESQEMPSOJX-GJZGRUSLSA-N 1 1 329.404 0.831 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC000973155740 738835047 /nfs/dbraw/zinc/83/50/47/738835047.db2.gz LWUHHDCXTSMTJW-DZKIICNBSA-N 1 1 343.431 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC000973155740 738835052 /nfs/dbraw/zinc/83/50/52/738835052.db2.gz LWUHHDCXTSMTJW-DZKIICNBSA-N 1 1 343.431 0.122 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC000973155740 738835058 /nfs/dbraw/zinc/83/50/58/738835058.db2.gz LWUHHDCXTSMTJW-DZKIICNBSA-N 1 1 343.431 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC000973155740 738835063 /nfs/dbraw/zinc/83/50/63/738835063.db2.gz LWUHHDCXTSMTJW-DZKIICNBSA-N 1 1 343.431 0.122 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)nn3)[C@H]2C1 ZINC001083222647 734865797 /nfs/dbraw/zinc/86/57/97/734865797.db2.gz DKPYYNJYJRCJKO-LSDHHAIUSA-N 1 1 340.387 0.374 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)nn3)[C@H]2C1 ZINC001083222647 734865800 /nfs/dbraw/zinc/86/58/00/734865800.db2.gz DKPYYNJYJRCJKO-LSDHHAIUSA-N 1 1 340.387 0.374 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3c[nH]cn3)C2)C1=O ZINC000971651210 734879382 /nfs/dbraw/zinc/87/93/82/734879382.db2.gz HHEHISSTFADXFD-JKSUJKDBSA-N 1 1 345.447 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cnc(C)cn2)C1 ZINC000971703266 734964575 /nfs/dbraw/zinc/96/45/75/734964575.db2.gz BUYCDJZFXUBWHK-ROUUACIJSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cnc(C)cn2)C1 ZINC000971703266 734964577 /nfs/dbraw/zinc/96/45/77/734964577.db2.gz BUYCDJZFXUBWHK-ROUUACIJSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2snnc2C)C1 ZINC000971704002 734965617 /nfs/dbraw/zinc/96/56/17/734965617.db2.gz OZWZARZQHZBGIH-CABCVRRESA-N 1 1 347.488 0.977 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2snnc2C)C1 ZINC000971704002 734965619 /nfs/dbraw/zinc/96/56/19/734965619.db2.gz OZWZARZQHZBGIH-CABCVRRESA-N 1 1 347.488 0.977 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1 ZINC000971706272 734967153 /nfs/dbraw/zinc/96/71/53/734967153.db2.gz QHKYWUVTZUBXCF-IIAWOOMASA-N 1 1 341.415 0.511 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000973178247 738869716 /nfs/dbraw/zinc/86/97/16/738869716.db2.gz UGFMSNPIANGWPU-UMVBOHGHSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973189335 738877933 /nfs/dbraw/zinc/87/79/33/738877933.db2.gz QRCLCVUTGVTECW-UBHSHLNASA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CCC(C)C)C1 ZINC001149168054 735085172 /nfs/dbraw/zinc/08/51/72/735085172.db2.gz NNHHAWQFBIEIAD-OAHLLOKOSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CCC(C)C)C1 ZINC001149168054 735085177 /nfs/dbraw/zinc/08/51/77/735085177.db2.gz NNHHAWQFBIEIAD-OAHLLOKOSA-N 1 1 325.453 0.932 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3nc4ncccn4n3)[C@H]2C1 ZINC001083226525 735144957 /nfs/dbraw/zinc/14/49/57/735144957.db2.gz KCFUQKWFOJIVRW-UONOGXRCSA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3n[nH]nc3C)C2)C1=O ZINC000972061246 735595254 /nfs/dbraw/zinc/59/52/54/735595254.db2.gz KXXRKLZPZHRLCZ-CHWSQXEVSA-N 1 1 332.408 0.046 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078077 735617655 /nfs/dbraw/zinc/61/76/55/735617655.db2.gz CGZBIPAVFLHURA-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972081173 735620141 /nfs/dbraw/zinc/62/01/41/735620141.db2.gz ZQTDLBKFVLFCEQ-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972081173 735620144 /nfs/dbraw/zinc/62/01/44/735620144.db2.gz ZQTDLBKFVLFCEQ-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCN(C(=O)CC)C3)[C@H]2C1 ZINC001083241384 735643207 /nfs/dbraw/zinc/64/32/07/735643207.db2.gz CONQNXDGAPOEIR-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)n1 ZINC000972113512 735657697 /nfs/dbraw/zinc/65/76/97/735657697.db2.gz YPFSNCOXQAUSGF-AWEZNQCLSA-N 1 1 325.376 0.428 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(C#N)cc3F)C2)n1 ZINC000972115851 735660978 /nfs/dbraw/zinc/66/09/78/735660978.db2.gz MJOOFJVMLBDVBS-ZDUSSCGKSA-N 1 1 343.366 0.567 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)cc3F)C2)n1 ZINC000972115851 735660981 /nfs/dbraw/zinc/66/09/81/735660981.db2.gz MJOOFJVMLBDVBS-ZDUSSCGKSA-N 1 1 343.366 0.567 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC001098563994 735662659 /nfs/dbraw/zinc/66/26/59/735662659.db2.gz IRUSECUHERUHKW-UHFFFAOYSA-N 1 1 332.404 0.036 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@@H]2CCCO2)C1 ZINC001059847839 751357351 /nfs/dbraw/zinc/35/73/51/751357351.db2.gz WDTRXHDAMZMSQS-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@@H]2CCCO2)C1 ZINC001059847839 751357358 /nfs/dbraw/zinc/35/73/58/751357358.db2.gz WDTRXHDAMZMSQS-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H](CC)N2CCCC2=O)CC1 ZINC001098566559 735834190 /nfs/dbraw/zinc/83/41/90/735834190.db2.gz BTFLUTFZAAOVGA-KRWDZBQOSA-N 1 1 349.475 0.696 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@@H]2CCOC2)CCO3)[nH]1 ZINC000972340469 735968831 /nfs/dbraw/zinc/96/88/31/735968831.db2.gz XDLVFPBUMYHTBN-KBXCAEBGSA-N 1 1 344.415 0.840 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCCN(C)C3=O)[C@H]2C1 ZINC001083246826 735971225 /nfs/dbraw/zinc/97/12/25/735971225.db2.gz MCAYWSACTPOJSJ-HRCADAONSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3ccc(C)n3)C2)C1=O ZINC000972361306 736015513 /nfs/dbraw/zinc/01/55/13/736015513.db2.gz DQFNUTGVNGEFLY-HZPDHXFCSA-N 1 1 345.447 0.511 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3cn[nH]n3)C2)C1=O ZINC000972370514 736025469 /nfs/dbraw/zinc/02/54/69/736025469.db2.gz PWUWZZSCCKCMPD-LSDHHAIUSA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)CCc3c[nH]nn3)C2)C1=O ZINC000972370514 736025473 /nfs/dbraw/zinc/02/54/73/736025473.db2.gz PWUWZZSCCKCMPD-LSDHHAIUSA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3c[nH]nn3)C2)C1=O ZINC000972370514 736025478 /nfs/dbraw/zinc/02/54/78/736025478.db2.gz PWUWZZSCCKCMPD-LSDHHAIUSA-N 1 1 346.435 0.057 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CNC(=O)C2CCC2)CC1 ZINC001098570789 736127144 /nfs/dbraw/zinc/12/71/44/736127144.db2.gz HZPZJBKNHSTAHV-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972410891 736144943 /nfs/dbraw/zinc/14/49/43/736144943.db2.gz WMQDFVBIXVFPRN-QGZVFWFLSA-N 1 1 340.387 0.293 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972410891 736144946 /nfs/dbraw/zinc/14/49/46/736144946.db2.gz WMQDFVBIXVFPRN-QGZVFWFLSA-N 1 1 340.387 0.293 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC000972413979 736150331 /nfs/dbraw/zinc/15/03/31/736150331.db2.gz RKRAWWIIZSTNJX-KRWDZBQOSA-N 1 1 332.404 0.769 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 ZINC000972413129 736152838 /nfs/dbraw/zinc/15/28/38/736152838.db2.gz GIHBMWZGPFFVOI-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 ZINC000972413129 736152843 /nfs/dbraw/zinc/15/28/43/736152843.db2.gz GIHBMWZGPFFVOI-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428489 736177150 /nfs/dbraw/zinc/17/71/50/736177150.db2.gz KUJDOAYOLGBWQW-QGZVFWFLSA-N 1 1 332.404 0.490 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428489 736177153 /nfs/dbraw/zinc/17/71/53/736177153.db2.gz KUJDOAYOLGBWQW-QGZVFWFLSA-N 1 1 332.404 0.490 20 30 ECEDMO CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972430142 736182611 /nfs/dbraw/zinc/18/26/11/736182611.db2.gz ANVCAXHZJSMKSH-NUJGCVRESA-N 1 1 335.448 0.032 20 30 ECEDMO CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972430142 736182614 /nfs/dbraw/zinc/18/26/14/736182614.db2.gz ANVCAXHZJSMKSH-NUJGCVRESA-N 1 1 335.448 0.032 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972452347 736234826 /nfs/dbraw/zinc/23/48/26/736234826.db2.gz BGLVYKRNMDKDHM-QGZVFWFLSA-N 1 1 332.404 0.227 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972452347 736234831 /nfs/dbraw/zinc/23/48/31/736234831.db2.gz BGLVYKRNMDKDHM-QGZVFWFLSA-N 1 1 332.404 0.227 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480569 736306584 /nfs/dbraw/zinc/30/65/84/736306584.db2.gz OWUJRMGILHKQGR-WMZOPIPTSA-N 1 1 348.447 0.987 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480569 736306587 /nfs/dbraw/zinc/30/65/87/736306587.db2.gz OWUJRMGILHKQGR-WMZOPIPTSA-N 1 1 348.447 0.987 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)cn1 ZINC001022992630 736368770 /nfs/dbraw/zinc/36/87/70/736368770.db2.gz SANBHYDDQJFZGJ-OKILXGFUSA-N 1 1 337.387 0.435 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 ZINC000972492517 736380495 /nfs/dbraw/zinc/38/04/95/736380495.db2.gz MYKNYECZNIQRSO-QAPCUYQASA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 ZINC000972492517 736380499 /nfs/dbraw/zinc/38/04/99/736380499.db2.gz MYKNYECZNIQRSO-QAPCUYQASA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 ZINC000972506301 736451094 /nfs/dbraw/zinc/45/10/94/736451094.db2.gz JSZGCJBWVXIYLS-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 ZINC001098575418 736500826 /nfs/dbraw/zinc/50/08/26/736500826.db2.gz NVHQWPDJFRELAA-QGZVFWFLSA-N 1 1 337.464 0.859 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnccn3)C2)C1=O ZINC001023209595 736587806 /nfs/dbraw/zinc/58/78/06/736587806.db2.gz PCUZVRBCSCIOTM-GOEBONIOSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnn(C)c3)C2)C1=O ZINC001023223178 736598896 /nfs/dbraw/zinc/59/88/96/736598896.db2.gz JAJAJZDCNAYOKF-HOCLYGCPSA-N 1 1 345.447 0.649 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCC(=O)N3)[C@H]2C1 ZINC001083259686 736649263 /nfs/dbraw/zinc/64/92/63/736649263.db2.gz NQEYBEOBZSYHNJ-OWCLPIDISA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cn(C)cn3)C2)C1=O ZINC001023309820 736667598 /nfs/dbraw/zinc/66/75/98/736667598.db2.gz CXTJIZSZERXUQR-GOEBONIOSA-N 1 1 345.447 0.649 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)c[nH]1 ZINC001023320152 736680282 /nfs/dbraw/zinc/68/02/82/736680282.db2.gz UBWFWMVJXYBZHL-IUODEOHRSA-N 1 1 329.404 0.607 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023365902 736739725 /nfs/dbraw/zinc/73/97/25/736739725.db2.gz LJBOFDMTDOPMDH-GJZGRUSLSA-N 1 1 343.431 0.614 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2-n2cnnn2)C1 ZINC001023457286 736859904 /nfs/dbraw/zinc/85/99/04/736859904.db2.gz MAUVUBMGTSATHU-GFCCVEGCSA-N 1 1 330.417 0.799 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001067461608 736872225 /nfs/dbraw/zinc/87/22/25/736872225.db2.gz FCNMJPNEYSSRNP-INIZCTEOSA-N 1 1 342.443 0.935 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001023476314 736886026 /nfs/dbraw/zinc/88/60/26/736886026.db2.gz LCFYVCDSOXTAKE-HNNXBMFYSA-N 1 1 348.447 0.908 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972572684 736886268 /nfs/dbraw/zinc/88/62/68/736886268.db2.gz JVYMGJRZGXJABL-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972572684 736886274 /nfs/dbraw/zinc/88/62/74/736886274.db2.gz JVYMGJRZGXJABL-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001023502920 736928882 /nfs/dbraw/zinc/92/88/82/736928882.db2.gz KCBSDOOWYJCZMC-HIFRSBDPSA-N 1 1 331.420 0.770 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cn(C)nc3C)C2)C1 ZINC000972580962 736933009 /nfs/dbraw/zinc/93/30/09/736933009.db2.gz DBSXGNRALYZIAN-IBGZPJMESA-N 1 1 344.459 0.988 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cn(C)nc3C)C2)C1 ZINC000972580962 736933013 /nfs/dbraw/zinc/93/30/13/736933013.db2.gz DBSXGNRALYZIAN-IBGZPJMESA-N 1 1 344.459 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001023510867 736936566 /nfs/dbraw/zinc/93/65/66/736936566.db2.gz SKBHIJDDAVHWIE-GJZGRUSLSA-N 1 1 330.432 0.999 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 ZINC001098577519 736944645 /nfs/dbraw/zinc/94/46/45/736944645.db2.gz LGNXLKOILZRQEE-QGZVFWFLSA-N 1 1 335.448 0.306 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972583357 736947597 /nfs/dbraw/zinc/94/75/97/736947597.db2.gz UQRHTNAFXPPMIZ-LJQANCHMSA-N 1 1 343.427 0.483 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972583357 736947600 /nfs/dbraw/zinc/94/76/00/736947600.db2.gz UQRHTNAFXPPMIZ-LJQANCHMSA-N 1 1 343.427 0.483 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncc(OC)n3)C2)C1 ZINC000972582854 736948954 /nfs/dbraw/zinc/94/89/54/736948954.db2.gz OHFVCRWEXCEWII-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cncc(OC)n3)C2)C1 ZINC000972582854 736948959 /nfs/dbraw/zinc/94/89/59/736948959.db2.gz OHFVCRWEXCEWII-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001023529560 736962776 /nfs/dbraw/zinc/96/27/76/736962776.db2.gz GXBNFTNPOOIUQA-VXGBXAGGSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001023529560 736962779 /nfs/dbraw/zinc/96/27/79/736962779.db2.gz GXBNFTNPOOIUQA-VXGBXAGGSA-N 1 1 344.253 0.859 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 ZINC001098577992 737027961 /nfs/dbraw/zinc/02/79/61/737027961.db2.gz VNDDZYZJJQDJQE-UHFFFAOYSA-N 1 1 346.431 0.656 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001023596814 737054254 /nfs/dbraw/zinc/05/42/54/737054254.db2.gz ZCKLHUZHKYPFQL-CQSZACIVSA-N 1 1 328.416 0.954 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972602873 737068361 /nfs/dbraw/zinc/06/83/61/737068361.db2.gz RZDVSERJNQNEKG-SFHVURJKSA-N 1 1 344.415 0.203 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972602873 737068364 /nfs/dbraw/zinc/06/83/64/737068364.db2.gz RZDVSERJNQNEKG-SFHVURJKSA-N 1 1 344.415 0.203 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001023605864 737068458 /nfs/dbraw/zinc/06/84/58/737068458.db2.gz LNMMRSDXIAHOKE-CABCVRRESA-N 1 1 330.436 0.477 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ncccn3)C2)C1 ZINC000972603940 737069930 /nfs/dbraw/zinc/06/99/30/737069930.db2.gz BYHUSXSWDWHTSN-SFHVURJKSA-N 1 1 328.416 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ncccn3)C2)C1 ZINC000972603940 737069932 /nfs/dbraw/zinc/06/99/32/737069932.db2.gz BYHUSXSWDWHTSN-SFHVURJKSA-N 1 1 328.416 0.736 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC000972615093 737099820 /nfs/dbraw/zinc/09/98/20/737099820.db2.gz WHYBGEYTNXUQDY-YYIAUSFCSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC000972615093 737099824 /nfs/dbraw/zinc/09/98/24/737099824.db2.gz WHYBGEYTNXUQDY-YYIAUSFCSA-N 1 1 345.443 0.322 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972623647 737132203 /nfs/dbraw/zinc/13/22/03/737132203.db2.gz BPHDKBLHOXKFKZ-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972624118 737136119 /nfs/dbraw/zinc/13/61/19/737136119.db2.gz JZPAKYOQANYCNB-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972624118 737136121 /nfs/dbraw/zinc/13/61/21/737136121.db2.gz JZPAKYOQANYCNB-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001023646207 737137630 /nfs/dbraw/zinc/13/76/30/737137630.db2.gz JTUOOHROVBYPKT-BRWVUGGUSA-N 1 1 330.432 0.750 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnn(CC)c3)C2)C1 ZINC000972631366 737168454 /nfs/dbraw/zinc/16/84/54/737168454.db2.gz LGEZPRRBRIAGEJ-SFHVURJKSA-N 1 1 330.432 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnn(CC)c3)C2)C1 ZINC000972631366 737168456 /nfs/dbraw/zinc/16/84/56/737168456.db2.gz LGEZPRRBRIAGEJ-SFHVURJKSA-N 1 1 330.432 0.772 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972631998 737170966 /nfs/dbraw/zinc/17/09/66/737170966.db2.gz PGNSOYSRNGFNBR-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972631998 737170968 /nfs/dbraw/zinc/17/09/68/737170968.db2.gz PGNSOYSRNGFNBR-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972633197 737175502 /nfs/dbraw/zinc/17/55/02/737175502.db2.gz YSFGPEMTWSRNRB-GOSISDBHSA-N 1 1 347.415 0.556 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972633197 737175506 /nfs/dbraw/zinc/17/55/06/737175506.db2.gz YSFGPEMTWSRNRB-GOSISDBHSA-N 1 1 347.415 0.556 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3conc3COC)C2)C1 ZINC000972635266 737181804 /nfs/dbraw/zinc/18/18/04/737181804.db2.gz QBJYIEOZSOQVPY-QGZVFWFLSA-N 1 1 333.388 0.761 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3conc3COC)C2)C1 ZINC000972635266 737181806 /nfs/dbraw/zinc/18/18/06/737181806.db2.gz QBJYIEOZSOQVPY-QGZVFWFLSA-N 1 1 333.388 0.761 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)nc1 ZINC001023709561 737227972 /nfs/dbraw/zinc/22/79/72/737227972.db2.gz WMRNWTPYRCUDCP-HNNXBMFYSA-N 1 1 328.416 0.593 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655215 737260598 /nfs/dbraw/zinc/26/05/98/737260598.db2.gz FXSCRUACHCGNDH-FUHWJXTLSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655215 737260600 /nfs/dbraw/zinc/26/06/00/737260600.db2.gz FXSCRUACHCGNDH-FUHWJXTLSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]Cc2cc(=O)[nH]c(CNC(=O)C3CC3)n2)C1=O ZINC001087254239 737269339 /nfs/dbraw/zinc/26/93/39/737269339.db2.gz ZDWNZVPVRJDGRC-CYBMUJFWSA-N 1 1 345.403 0.085 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCOC)c3)C2)C1 ZINC000972659590 737271033 /nfs/dbraw/zinc/27/10/33/737271033.db2.gz OPTMNZIGPDEXKI-GOSISDBHSA-N 1 1 346.431 0.470 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCOC)c3)C2)C1 ZINC000972659590 737271036 /nfs/dbraw/zinc/27/10/36/737271036.db2.gz OPTMNZIGPDEXKI-GOSISDBHSA-N 1 1 346.431 0.470 20 30 ECEDMO C[N@H+](CC(=O)N1CCC(N(CC#N)CCO)CC1)Cc1ccccc1 ZINC001098582146 737344351 /nfs/dbraw/zinc/34/43/51/737344351.db2.gz LWXLOVKRHFVJEH-UHFFFAOYSA-N 1 1 344.459 0.927 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC(N(CC#N)CCO)CC1)Cc1ccccc1 ZINC001098582146 737344353 /nfs/dbraw/zinc/34/43/53/737344353.db2.gz LWXLOVKRHFVJEH-UHFFFAOYSA-N 1 1 344.459 0.927 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)C1 ZINC000972674357 737345053 /nfs/dbraw/zinc/34/50/53/737345053.db2.gz OABBFFKDCCTTRX-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)C1 ZINC000972674357 737345062 /nfs/dbraw/zinc/34/50/62/737345062.db2.gz OABBFFKDCCTTRX-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3nonc3C)C2)C1=O ZINC001023776095 737356423 /nfs/dbraw/zinc/35/64/23/737356423.db2.gz QGOXPTYXLLARJG-KBPBESRZSA-N 1 1 347.419 0.607 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001023858199 737443699 /nfs/dbraw/zinc/44/36/99/737443699.db2.gz JOINRXNEIMHXKM-KGLIPLIRSA-N 1 1 331.420 0.638 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972762978 737605144 /nfs/dbraw/zinc/60/51/44/737605144.db2.gz BZAIZTGHCUPXQX-HOTGVXAUSA-N 1 1 326.400 0.870 20 30 ECEDMO C=CCOCC[N@H+](CCO)C1CCN(C(=O)c2nonc2C)CC1 ZINC001098583964 737630097 /nfs/dbraw/zinc/63/00/97/737630097.db2.gz HEJLWWPFYFJGRS-UHFFFAOYSA-N 1 1 338.408 0.480 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972793928 737684396 /nfs/dbraw/zinc/68/43/96/737684396.db2.gz KWBRUDPIKCAEII-ZDUSSCGKSA-N 1 1 345.432 0.633 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972793928 737684398 /nfs/dbraw/zinc/68/43/98/737684398.db2.gz KWBRUDPIKCAEII-ZDUSSCGKSA-N 1 1 345.432 0.633 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)Cn3cccn3)C(C)(C)C2)C1=O ZINC000972814390 737725028 /nfs/dbraw/zinc/72/50/28/737725028.db2.gz ULLGLZNPXDJABM-GJZGRUSLSA-N 1 1 345.447 0.497 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)Cn3cccn3)C(C)(C)C2)C1=O ZINC000972814390 737725031 /nfs/dbraw/zinc/72/50/31/737725031.db2.gz ULLGLZNPXDJABM-GJZGRUSLSA-N 1 1 345.447 0.497 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001024136546 737747269 /nfs/dbraw/zinc/74/72/69/737747269.db2.gz LMHXOZOSDGNXHS-QLFBSQMISA-N 1 1 337.464 0.761 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC2(CCNC(=O)Cc3nnc[nH]3)CC2)C1=O ZINC001167684648 737754795 /nfs/dbraw/zinc/75/47/95/737754795.db2.gz FNXTUBIVWMFJQL-ZDUSSCGKSA-N 1 1 346.435 0.010 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccon3)C(C)(C)C2)C1=O ZINC000972836870 737760189 /nfs/dbraw/zinc/76/01/89/737760189.db2.gz IWFOBJYYWRTSEV-ZIAGYGMSSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccon3)C(C)(C)C2)C1=O ZINC000972836870 737760191 /nfs/dbraw/zinc/76/01/91/737760191.db2.gz IWFOBJYYWRTSEV-ZIAGYGMSSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cocn3)C(C)(C)C2)C1=O ZINC000972863877 737781438 /nfs/dbraw/zinc/78/14/38/737781438.db2.gz QGHFSYOXRMXLCK-KGLIPLIRSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cocn3)C(C)(C)C2)C1=O ZINC000972863877 737781442 /nfs/dbraw/zinc/78/14/42/737781442.db2.gz QGHFSYOXRMXLCK-KGLIPLIRSA-N 1 1 332.404 0.902 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001024164641 737793009 /nfs/dbraw/zinc/79/30/09/737793009.db2.gz FIUYNESPHRRUDM-MCIONIFRSA-N 1 1 334.424 0.129 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1-n1cnnn1 ZINC001024530676 738067425 /nfs/dbraw/zinc/06/74/25/738067425.db2.gz IVASIXGZDNMPMT-LBPRGKRZSA-N 1 1 330.417 0.941 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1-n1cnnn1 ZINC001024530676 738067429 /nfs/dbraw/zinc/06/74/29/738067429.db2.gz IVASIXGZDNMPMT-LBPRGKRZSA-N 1 1 330.417 0.941 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)[C@H]21 ZINC001087279040 738076178 /nfs/dbraw/zinc/07/61/78/738076178.db2.gz QKJPTJHDFVKELW-BMFZPTHFSA-N 1 1 343.431 0.851 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cnc(C(N)=O)n3)C(C)(C)[C@H]21 ZINC001087289378 738124019 /nfs/dbraw/zinc/12/40/19/738124019.db2.gz LIPNZXWCVWEOER-XBFCOCLRSA-N 1 1 346.435 0.168 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(=O)NCC2CC2)C1 ZINC001111932710 738130000 /nfs/dbraw/zinc/13/00/00/738130000.db2.gz HLELJLSWWCUVIC-LPHOPBHVSA-N 1 1 347.459 0.523 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000987971121 751394562 /nfs/dbraw/zinc/39/45/62/751394562.db2.gz VFQSARUIVMYADQ-YESZJQIVSA-N 1 1 349.475 0.408 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000987971121 751394567 /nfs/dbraw/zinc/39/45/67/751394567.db2.gz VFQSARUIVMYADQ-YESZJQIVSA-N 1 1 349.475 0.408 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C(C)(C)[C@@H]21 ZINC001087313198 738252740 /nfs/dbraw/zinc/25/27/40/738252740.db2.gz QQMSMWDIDZGOIA-DAXOMENPSA-N 1 1 348.447 0.672 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001024731080 738254636 /nfs/dbraw/zinc/25/46/36/738254636.db2.gz CBJUGRHFDYFSCJ-HZPDHXFCSA-N 1 1 345.447 0.922 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001024731080 738254641 /nfs/dbraw/zinc/25/46/41/738254641.db2.gz CBJUGRHFDYFSCJ-HZPDHXFCSA-N 1 1 345.447 0.922 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C(C)(C)[C@H]21 ZINC001087316881 738272656 /nfs/dbraw/zinc/27/26/56/738272656.db2.gz YWPLJNTUIFNADU-BMFZPTHFSA-N 1 1 347.463 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C(C)(C)[C@H]21 ZINC001087317048 738282512 /nfs/dbraw/zinc/28/25/12/738282512.db2.gz BOBVIAQADNJNGM-WQVCFCJDSA-N 1 1 346.431 0.119 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c(C)noc2C)C1 ZINC000972956277 738359631 /nfs/dbraw/zinc/35/96/31/738359631.db2.gz NYPMKEBKZKHVDZ-KKUMJFAQSA-N 1 1 344.415 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c(C)noc2C)C1 ZINC000972956277 738359633 /nfs/dbraw/zinc/35/96/33/738359633.db2.gz NYPMKEBKZKHVDZ-KKUMJFAQSA-N 1 1 344.415 0.766 20 30 ECEDMO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1)c1nnnn1C ZINC001024916624 738394078 /nfs/dbraw/zinc/39/40/78/738394078.db2.gz ULCCFBHFBCFYNG-DGCLKSJQSA-N 1 1 342.407 0.755 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025259375 738945052 /nfs/dbraw/zinc/94/50/52/738945052.db2.gz OTPDZHUHIVVKBZ-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N(C)C)cc1 ZINC001028183054 751401578 /nfs/dbraw/zinc/40/15/78/751401578.db2.gz LHKBOWRTEKCQSM-INIZCTEOSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)C)cc1 ZINC001028183054 751401580 /nfs/dbraw/zinc/40/15/80/751401580.db2.gz LHKBOWRTEKCQSM-INIZCTEOSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001025276178 738996848 /nfs/dbraw/zinc/99/68/48/738996848.db2.gz GVZKTNJMZRZSHX-GJZGRUSLSA-N 1 1 331.416 0.518 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025275804 738999624 /nfs/dbraw/zinc/99/96/24/738999624.db2.gz CEFBXIJIWRGQFG-KGLIPLIRSA-N 1 1 334.420 0.570 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000973432577 739274615 /nfs/dbraw/zinc/27/46/15/739274615.db2.gz JRQUKPCLENORBJ-SUJAAXHWSA-N 1 1 335.448 0.825 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC000982009157 751455581 /nfs/dbraw/zinc/45/55/81/751455581.db2.gz HOKWQXMSNUPQDY-JKSUJKDBSA-N 1 1 347.459 0.570 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC23CCN(c2nccnc2C#N)CC3)C1 ZINC001058636822 739568124 /nfs/dbraw/zinc/56/81/24/739568124.db2.gz UWBRRDBULCQCAM-ZFWWWQNUSA-N 1 1 340.431 0.775 20 30 ECEDMO CN1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@@H+](C)CC1 ZINC000892714802 739583676 /nfs/dbraw/zinc/58/36/76/739583676.db2.gz SZHKFYKENNZCBF-UHFFFAOYSA-N 1 1 345.447 0.978 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]cnc2C)C1 ZINC001112024324 739607021 /nfs/dbraw/zinc/60/70/21/739607021.db2.gz IMAUZRNHGRHBNN-GUYCJALGSA-N 1 1 331.420 0.605 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]cnc2C)C1 ZINC001112024324 739607023 /nfs/dbraw/zinc/60/70/23/739607023.db2.gz IMAUZRNHGRHBNN-GUYCJALGSA-N 1 1 331.420 0.605 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001025469147 739620044 /nfs/dbraw/zinc/62/00/44/739620044.db2.gz NODPXJAZQNIWEN-RYUDHWBXSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001025477358 739634604 /nfs/dbraw/zinc/63/46/04/739634604.db2.gz GVMAFDPYGQQAIG-GJZGRUSLSA-N 1 1 346.431 0.353 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3nnnn3c2)C1 ZINC001025488611 739652628 /nfs/dbraw/zinc/65/26/28/739652628.db2.gz KGCSDIZCWAXEIG-KGLIPLIRSA-N 1 1 326.404 0.978 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nncn4C3)[C@H]2C1 ZINC001083282761 739655089 /nfs/dbraw/zinc/65/50/89/739655089.db2.gz RYHPZXDKOSORFD-SOUVJXGZSA-N 1 1 331.420 0.328 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025589368 739750679 /nfs/dbraw/zinc/75/06/79/739750679.db2.gz FLHBKNVTBYSUDK-KBPBESRZSA-N 1 1 346.431 0.962 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025616631 739779588 /nfs/dbraw/zinc/77/95/88/739779588.db2.gz BJCOEKLUZYQCAN-QWHCGFSZSA-N 1 1 334.420 0.892 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2C[C@H](C)OC3(CCN(CC#N)CC3)C2)CC[N@H+]1C ZINC001098603480 739783049 /nfs/dbraw/zinc/78/30/49/739783049.db2.gz PAFCYGJGCYUIBG-ARFHVFGLSA-N 1 1 334.464 0.932 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CC(N)=O)C2)cc1 ZINC001087380022 739793780 /nfs/dbraw/zinc/79/37/80/739793780.db2.gz MWYSSTJIFRYUHV-XSLAGTTESA-N 1 1 337.423 0.936 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@@H](n2ccnn2)C1 ZINC001070007139 790307584 /nfs/dbraw/zinc/30/75/84/790307584.db2.gz WBVGBBYOETXVBE-IJEWVQPXSA-N 1 1 337.399 0.714 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008009 790309487 /nfs/dbraw/zinc/30/94/87/790309487.db2.gz MBUUKRRHIVQZNW-NXOAAHMSSA-N 1 1 344.463 0.373 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008009 790309488 /nfs/dbraw/zinc/30/94/88/790309488.db2.gz MBUUKRRHIVQZNW-NXOAAHMSSA-N 1 1 344.463 0.373 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@]2(C)CCCOC2)C1=O ZINC001026126606 740390646 /nfs/dbraw/zinc/39/06/46/740390646.db2.gz IGXSEMQKYQOJOB-WPECMILSSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001167729318 740465429 /nfs/dbraw/zinc/46/54/29/740465429.db2.gz MMMZNJUBRJXDQG-AWEZNQCLSA-N 1 1 347.463 0.988 20 30 ECEDMO C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001167729318 740465431 /nfs/dbraw/zinc/46/54/31/740465431.db2.gz MMMZNJUBRJXDQG-AWEZNQCLSA-N 1 1 347.463 0.988 20 30 ECEDMO CN(C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cncc(C#N)n1 ZINC001058690326 740473304 /nfs/dbraw/zinc/47/33/04/740473304.db2.gz HHROSSLKMZYNMP-HUUCEWRRSA-N 1 1 342.447 0.975 20 30 ECEDMO CN(C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccnc(C#N)n1 ZINC001058690612 740479616 /nfs/dbraw/zinc/47/96/16/740479616.db2.gz OSHLPRBYZSBLJQ-HUUCEWRRSA-N 1 1 342.447 0.975 20 30 ECEDMO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)CN3CCOCC3)C[C@@H]12 ZINC001026293833 740766323 /nfs/dbraw/zinc/76/63/23/740766323.db2.gz KXNXTRUJNDICTE-BRWVUGGUSA-N 1 1 333.476 0.805 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000974039752 740822819 /nfs/dbraw/zinc/82/28/19/740822819.db2.gz BOGWRCLFJGFRMK-FPMFFAJLSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)C3(N4CCOCC4)CCC3)C2)C1 ZINC000982096158 751582519 /nfs/dbraw/zinc/58/25/19/751582519.db2.gz BPSHAOOUUHYAQR-UHFFFAOYSA-N 1 1 331.460 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC000974076627 740895308 /nfs/dbraw/zinc/89/53/08/740895308.db2.gz JOYGIWRPPIOEBU-NXOAAHMSSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC000974076627 740895310 /nfs/dbraw/zinc/89/53/10/740895310.db2.gz JOYGIWRPPIOEBU-NXOAAHMSSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccsn2)C1 ZINC001111785462 741035256 /nfs/dbraw/zinc/03/52/56/741035256.db2.gz LJNWFDLTCJBNCL-LRDDRELGSA-N 1 1 332.429 0.477 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccsn2)C1 ZINC001111785462 741035260 /nfs/dbraw/zinc/03/52/60/741035260.db2.gz LJNWFDLTCJBNCL-LRDDRELGSA-N 1 1 332.429 0.477 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[N@H+](CCc3ccnn3C)CC2)nn1 ZINC000982113590 751605673 /nfs/dbraw/zinc/60/56/73/751605673.db2.gz MCDPRALFVYPNTE-UHFFFAOYSA-N 1 1 343.435 0.588 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC000982113639 751606533 /nfs/dbraw/zinc/60/65/33/751606533.db2.gz PXVHDJDIIRWVIJ-UHFFFAOYSA-N 1 1 325.372 0.606 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000982116588 751609807 /nfs/dbraw/zinc/60/98/07/751609807.db2.gz NHRWAAQKCXVPGU-AWEZNQCLSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C2CC2)C[C@H]1C(F)(F)F ZINC001112077987 741306243 /nfs/dbraw/zinc/30/62/43/741306243.db2.gz PATQRSGZSGHVRW-CYZMBNFOSA-N 1 1 345.365 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1snnc1C ZINC001038369873 741343030 /nfs/dbraw/zinc/34/30/30/741343030.db2.gz XGZLEVWAHICPGN-KGLIPLIRSA-N 1 1 333.461 0.635 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1snnc1C ZINC001038369873 741343036 /nfs/dbraw/zinc/34/30/36/741343036.db2.gz XGZLEVWAHICPGN-KGLIPLIRSA-N 1 1 333.461 0.635 20 30 ECEDMO C=CCC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)[nH]n3)C2)nn1 ZINC001105165990 741432469 /nfs/dbraw/zinc/43/24/69/741432469.db2.gz WDJKGOJHWKISRK-UHFFFAOYSA-N 1 1 329.408 0.926 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C3CC3)C2)nn1 ZINC001105204885 741470395 /nfs/dbraw/zinc/47/03/95/741470395.db2.gz IMDRPXPFUOPJKU-ZDUSSCGKSA-N 1 1 333.436 1.000 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC000982143815 751641008 /nfs/dbraw/zinc/64/10/08/751641008.db2.gz GUYKSXHEXZACPH-UHFFFAOYSA-N 1 1 334.420 0.381 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]CCOCC)nn2)C1 ZINC001105224079 741502841 /nfs/dbraw/zinc/50/28/41/741502841.db2.gz WRKKZYALIHLBOL-INIZCTEOSA-N 1 1 337.424 0.115 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC000982148294 751645367 /nfs/dbraw/zinc/64/53/67/751645367.db2.gz CKUHYLBVVITXBH-UHFFFAOYSA-N 1 1 338.415 0.615 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240562 741533470 /nfs/dbraw/zinc/53/34/70/741533470.db2.gz RRMJEKRHZWCBJD-GDBMZVCRSA-N 1 1 342.447 0.259 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000296864841 741602021 /nfs/dbraw/zinc/60/20/21/741602021.db2.gz ZCXABGZYGIESSE-UHOFOFEASA-N 1 1 330.384 0.719 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268510 741610633 /nfs/dbraw/zinc/61/06/33/741610633.db2.gz QHURMIWIBDPUCR-WBVHZDCISA-N 1 1 344.463 0.954 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)COCc3ncc(C)o3)C2)nn1 ZINC001105280852 741636785 /nfs/dbraw/zinc/63/67/85/741636785.db2.gz GVSWKLGAGFOHEG-UHFFFAOYSA-N 1 1 346.391 0.450 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccnc(C)n3)C2)nn1 ZINC001105289491 741652886 /nfs/dbraw/zinc/65/28/86/741652886.db2.gz FHMLHWDRPMPIBM-UHFFFAOYSA-N 1 1 341.419 0.668 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(=O)n3C)C2)nn1 ZINC001105296956 741674053 /nfs/dbraw/zinc/67/40/53/741674053.db2.gz DKGRDCYJKNXYST-UHFFFAOYSA-N 1 1 331.380 0.080 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nc[nH]c3=O)C2)nn1 ZINC001105310254 741715728 /nfs/dbraw/zinc/71/57/28/741715728.db2.gz VKFGYDCFNNBXLX-UHFFFAOYSA-N 1 1 329.364 0.055 20 30 ECEDMO C=CCCC1(C(=O)N(CCO)CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001058729968 741738186 /nfs/dbraw/zinc/73/81/86/741738186.db2.gz ZAZZRJXGRMBZSW-UHFFFAOYSA-N 1 1 348.447 0.875 20 30 ECEDMO CC1(C)C[N@@H+](CCn2cncn2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974472424 741778269 /nfs/dbraw/zinc/77/82/69/741778269.db2.gz MOSZVXGXPUHKEE-AWEZNQCLSA-N 1 1 327.392 0.618 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)Oc3cccnc3)C2)nn1 ZINC001105325338 741800178 /nfs/dbraw/zinc/80/01/78/741800178.db2.gz LQDAXGNALQGSMR-ZDUSSCGKSA-N 1 1 342.403 0.800 20 30 ECEDMO C=C(C)CCNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105327128 741812072 /nfs/dbraw/zinc/81/20/72/741812072.db2.gz TWUWLHPAPFNBFM-RHSMWYFYSA-N 1 1 346.479 0.915 20 30 ECEDMO C=C(C)CCNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105327128 741812077 /nfs/dbraw/zinc/81/20/77/741812077.db2.gz TWUWLHPAPFNBFM-RHSMWYFYSA-N 1 1 346.479 0.915 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC1(C)C ZINC000974688584 742008406 /nfs/dbraw/zinc/00/84/06/742008406.db2.gz BGQHNILOMSXPOU-DLBZAZTESA-N 1 1 343.475 0.844 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)CC1(C)C ZINC000974688584 742008409 /nfs/dbraw/zinc/00/84/09/742008409.db2.gz BGQHNILOMSXPOU-DLBZAZTESA-N 1 1 343.475 0.844 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cncn3C)C(C)(C)C2)C1=O ZINC000974772317 742165886 /nfs/dbraw/zinc/16/58/86/742165886.db2.gz FCKDZRDKZYCCHM-HIFRSBDPSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cncn3C)C(C)(C)C2)C1=O ZINC000974772317 742165889 /nfs/dbraw/zinc/16/58/89/742165889.db2.gz FCKDZRDKZYCCHM-HIFRSBDPSA-N 1 1 345.447 0.647 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000974800007 742203009 /nfs/dbraw/zinc/20/30/09/742203009.db2.gz UALHWWXUUVLERB-ZIAGYGMSSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000974800007 742203011 /nfs/dbraw/zinc/20/30/11/742203011.db2.gz UALHWWXUUVLERB-ZIAGYGMSSA-N 1 1 326.462 0.661 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C(C)(C)C1 ZINC000974890790 742311577 /nfs/dbraw/zinc/31/15/77/742311577.db2.gz LJGGWDJGOPHYCY-CQSZACIVSA-N 1 1 330.432 0.861 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)CC2(C)C)c1 ZINC000975008509 742444401 /nfs/dbraw/zinc/44/44/01/742444401.db2.gz AVJYXBKVLNXNAX-MRXNPFEDSA-N 1 1 338.415 0.795 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C(C)(C)C1 ZINC000975063911 742469848 /nfs/dbraw/zinc/46/98/48/742469848.db2.gz RSQCPPLLTGARDV-AWEZNQCLSA-N 1 1 330.432 0.597 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)Cn2ncn3nccc3c2=O)C(C)(C)C1 ZINC000975116651 742498221 /nfs/dbraw/zinc/49/82/21/742498221.db2.gz RGMILWKWXUFJBJ-AWEZNQCLSA-N 1 1 344.419 0.294 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000975198749 742592420 /nfs/dbraw/zinc/59/24/20/742592420.db2.gz ZLQGQDGZILVLAL-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CC(=O)N3CCOCC3)C[C@]2(C)C1 ZINC000982236751 751747240 /nfs/dbraw/zinc/74/72/40/751747240.db2.gz QAZATGOALPCADY-OLMNPRSZSA-N 1 1 348.447 0.175 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CCN3CCNC3=O)C[C@]2(C)C1 ZINC000982236940 751748042 /nfs/dbraw/zinc/74/80/42/751748042.db2.gz RTCSQHPPFCMGOS-XYPHTWIQSA-N 1 1 333.436 0.342 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CCCO1 ZINC001075734996 742869342 /nfs/dbraw/zinc/86/93/42/742869342.db2.gz WMNPANNOXVTQMA-XHSDSOJGSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CCCO1 ZINC001075734996 742869355 /nfs/dbraw/zinc/86/93/55/742869355.db2.gz WMNPANNOXVTQMA-XHSDSOJGSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001028937146 742922062 /nfs/dbraw/zinc/92/20/62/742922062.db2.gz MXXVJXBDMDONKA-AWEZNQCLSA-N 1 1 344.415 0.234 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2cn(C(C)C)nn2)CC1 ZINC001098516597 751777380 /nfs/dbraw/zinc/77/73/80/751777380.db2.gz YAMLLQRLJWJEBW-UHFFFAOYSA-N 1 1 333.436 0.781 20 30 ECEDMO C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2)n1cccn1 ZINC001111601354 743108944 /nfs/dbraw/zinc/10/89/44/743108944.db2.gz WZJLUJZHMUUFPU-ZQIUZPCESA-N 1 1 344.419 0.055 20 30 ECEDMO C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2)n1cccn1 ZINC001111601354 743108946 /nfs/dbraw/zinc/10/89/46/743108946.db2.gz WZJLUJZHMUUFPU-ZQIUZPCESA-N 1 1 344.419 0.055 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4COC(=O)N4)[C@@H]3C2)cc1 ZINC001075752676 743110194 /nfs/dbraw/zinc/11/01/94/743110194.db2.gz KIJLZKXWPOXBIG-ARFHVFGLSA-N 1 1 340.383 0.699 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC001125998277 743157486 /nfs/dbraw/zinc/15/74/86/743157486.db2.gz NPQPULPCPQSERZ-UHFFFAOYSA-N 1 1 336.461 0.786 20 30 ECEDMO Cc1nnc(CNC(N[C@@H]2C[C@@H](C)N(C3CC3)C2)=[NH+]C2CC2)n1C ZINC000261967790 743196000 /nfs/dbraw/zinc/19/60/00/743196000.db2.gz LVYCDXISDGRZNR-BXUZGUMPSA-N 1 1 331.468 0.946 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC000997085824 743213181 /nfs/dbraw/zinc/21/31/81/743213181.db2.gz QYHZVLHANWTMGO-HOCLYGCPSA-N 1 1 348.451 0.662 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nc1 ZINC000997091869 743222920 /nfs/dbraw/zinc/22/29/20/743222920.db2.gz CNRNVCRUSSZDQN-UHFFFAOYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000997100753 743234437 /nfs/dbraw/zinc/23/44/37/743234437.db2.gz AMKBHVDCKPKECX-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC000997101849 743237266 /nfs/dbraw/zinc/23/72/66/743237266.db2.gz LIMIJRDXDUESIB-WBMJQRKESA-N 1 1 326.400 0.201 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)CSC)[C@H]2C1 ZINC000975776055 743313998 /nfs/dbraw/zinc/31/39/98/743313998.db2.gz QMWMIICVEANWFQ-JYJNAYRXSA-N 1 1 349.500 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)CSC)[C@H]2C1 ZINC000975776055 743314002 /nfs/dbraw/zinc/31/40/02/743314002.db2.gz QMWMIICVEANWFQ-JYJNAYRXSA-N 1 1 349.500 0.896 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)COC)nn2)C1 ZINC001105380984 743439217 /nfs/dbraw/zinc/43/92/17/743439217.db2.gz KSLJTCGCJXOEPQ-QWHCGFSZSA-N 1 1 337.424 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(C)ncc2C#N)C1 ZINC001059868018 751835324 /nfs/dbraw/zinc/83/53/24/751835324.db2.gz BYFDGPSDSMIRJG-JZXOWHBKSA-N 1 1 337.427 0.840 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(C)ncc2C#N)C1 ZINC001059868018 751835334 /nfs/dbraw/zinc/83/53/34/751835334.db2.gz BYFDGPSDSMIRJG-JZXOWHBKSA-N 1 1 337.427 0.840 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CCN([C@H](C)C(N)=O)CC2)CC1 ZINC000997435725 743615630 /nfs/dbraw/zinc/61/56/30/743615630.db2.gz ZTJUOFGXTCWNGY-HUUCEWRRSA-N 1 1 348.491 0.422 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)c3cnc(C)[nH]3)CC2)C1=O ZINC000997611366 743708476 /nfs/dbraw/zinc/70/84/76/743708476.db2.gz DGNIROPYYSMHLL-HNNXBMFYSA-N 1 1 345.447 0.947 20 30 ECEDMO COCCc1nc(C[NH2+]CC2CCN(C(=O)[C@@H](C)C#N)CC2)no1 ZINC000997620016 743714517 /nfs/dbraw/zinc/71/45/17/743714517.db2.gz ACILUJVJUNXBNL-LBPRGKRZSA-N 1 1 335.408 0.746 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001027337166 743799971 /nfs/dbraw/zinc/79/99/71/743799971.db2.gz ZHCJMXSZCVNZNG-JSGCOSHPSA-N 1 1 342.403 0.605 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001027337166 743799973 /nfs/dbraw/zinc/79/99/73/743799973.db2.gz ZHCJMXSZCVNZNG-JSGCOSHPSA-N 1 1 342.403 0.605 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000976409461 743919940 /nfs/dbraw/zinc/91/99/40/743919940.db2.gz SWZLQXHODQKRIZ-LCSDZXHASA-N 1 1 341.415 0.557 20 30 ECEDMO C=CCn1cc(C(=O)N(CC)[C@@H]2CCC[N@H+](CC(N)=O)CC2)nn1 ZINC000998141175 744001330 /nfs/dbraw/zinc/00/13/30/744001330.db2.gz NUWICFULRUABHJ-CYBMUJFWSA-N 1 1 334.424 0.266 20 30 ECEDMO C=CCn1cc(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC(N)=O)CC2)nn1 ZINC000998141175 744001332 /nfs/dbraw/zinc/00/13/32/744001332.db2.gz NUWICFULRUABHJ-CYBMUJFWSA-N 1 1 334.424 0.266 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000998200779 744047043 /nfs/dbraw/zinc/04/70/43/744047043.db2.gz ULVDLBVVEAHPCQ-ZDUSSCGKSA-N 1 1 334.424 0.266 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000976547021 744070288 /nfs/dbraw/zinc/07/02/88/744070288.db2.gz MGJDSZYMHHXKKK-VIKVFOODSA-N 1 1 338.371 0.278 20 30 ECEDMO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027406434 744187774 /nfs/dbraw/zinc/18/77/74/744187774.db2.gz RLLZPHXTUXNWQF-HZPDHXFCSA-N 1 1 338.473 0.757 20 30 ECEDMO CC(C)n1nnnc1C[NH2+]C1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000998644904 744265645 /nfs/dbraw/zinc/26/56/45/744265645.db2.gz GGXXYSGPKRGKGS-UHFFFAOYSA-N 1 1 342.407 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccsn1 ZINC000976720782 744268056 /nfs/dbraw/zinc/26/80/56/744268056.db2.gz QSYPMDZELIFSQW-MYZSUADSSA-N 1 1 344.440 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccsn1 ZINC000976720782 744268058 /nfs/dbraw/zinc/26/80/58/744268058.db2.gz QSYPMDZELIFSQW-MYZSUADSSA-N 1 1 344.440 0.427 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000976763893 744305193 /nfs/dbraw/zinc/30/51/93/744305193.db2.gz VSZHSZCCXCEOHT-YUAHOQAQSA-N 1 1 341.455 0.990 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 ZINC000976804365 744343617 /nfs/dbraw/zinc/34/36/17/744343617.db2.gz HXEWGXGQEBKYRJ-AALSBFMBSA-N 1 1 332.448 0.839 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000998976900 744444448 /nfs/dbraw/zinc/44/44/48/744444448.db2.gz UBCYIYJLYHGCFD-CYBMUJFWSA-N 1 1 342.407 0.677 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4cnc[nH]4)C[C@H]32)cn1 ZINC000976914493 744474256 /nfs/dbraw/zinc/47/42/56/744474256.db2.gz RJVWVGAVQQVNDB-VQFNDLOPSA-N 1 1 349.394 0.605 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000999320306 744624766 /nfs/dbraw/zinc/62/47/66/744624766.db2.gz SCNFMOSLDINOJB-MLGOLLRUSA-N 1 1 326.400 0.344 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncc(C#C)c2)C1 ZINC000999320366 744625205 /nfs/dbraw/zinc/62/52/05/744625205.db2.gz UAJVPBTXQRQSKQ-KRWDZBQOSA-N 1 1 336.395 0.101 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncc(C#C)c2)C1 ZINC000999320366 744625208 /nfs/dbraw/zinc/62/52/08/744625208.db2.gz UAJVPBTXQRQSKQ-KRWDZBQOSA-N 1 1 336.395 0.101 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nonc2C)C1 ZINC000999391208 744671553 /nfs/dbraw/zinc/67/15/53/744671553.db2.gz IXXCDSBDSOTAEA-ZBFHGGJFSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nonc2C)C1 ZINC000999391208 744671555 /nfs/dbraw/zinc/67/15/55/744671555.db2.gz IXXCDSBDSOTAEA-ZBFHGGJFSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001027473173 744692422 /nfs/dbraw/zinc/69/24/22/744692422.db2.gz GTDGLLWDOVZXCR-ZDUSSCGKSA-N 1 1 328.376 0.489 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001027483053 744737434 /nfs/dbraw/zinc/73/74/34/744737434.db2.gz KITGBWOJKQBADF-GFCCVEGCSA-N 1 1 340.811 0.624 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001027483053 744737437 /nfs/dbraw/zinc/73/74/37/744737437.db2.gz KITGBWOJKQBADF-GFCCVEGCSA-N 1 1 340.811 0.624 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3nncs3)C2)nn1 ZINC000999522883 744737569 /nfs/dbraw/zinc/73/75/69/744737569.db2.gz LRJSJEOVMBCOLA-UHFFFAOYSA-N 1 1 333.421 0.708 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001027502085 744836254 /nfs/dbraw/zinc/83/62/54/744836254.db2.gz NTBKAXJLCCVTLB-KURKYZTESA-N 1 1 349.475 0.422 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001027508424 744864391 /nfs/dbraw/zinc/86/43/91/744864391.db2.gz ZXZCFSNWIWBOAA-ZIAGYGMSSA-N 1 1 329.391 0.508 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977384987 744918763 /nfs/dbraw/zinc/91/87/63/744918763.db2.gz FLHPLZYEHJYPMM-HOCLYGCPSA-N 1 1 345.447 0.778 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977384987 744918764 /nfs/dbraw/zinc/91/87/64/744918764.db2.gz FLHPLZYEHJYPMM-HOCLYGCPSA-N 1 1 345.447 0.778 20 30 ECEDMO C#CCN1CCC(C(=O)N(C)C2CC([NH2+]C[C@H]3CCOC3)C2)CC1 ZINC000999876643 744984941 /nfs/dbraw/zinc/98/49/41/744984941.db2.gz QODOBESUJUTQTH-FAEJEUNOSA-N 1 1 333.476 0.947 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000999892808 745022820 /nfs/dbraw/zinc/02/28/20/745022820.db2.gz ZQLQLRVZNNNBIU-KDOFPFPSSA-N 1 1 339.439 0.735 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC000977474809 745068701 /nfs/dbraw/zinc/06/87/01/745068701.db2.gz BGKOWEMQENUFIV-ZFWWWQNUSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCOC3)nn2)C1 ZINC000999957558 745097974 /nfs/dbraw/zinc/09/79/74/745097974.db2.gz VYWNHFOYUMOCMG-ZBFHGGJFSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)nc3C)nn2)C1 ZINC000999961113 745103215 /nfs/dbraw/zinc/10/32/15/745103215.db2.gz GZMLJUKCWUQZDZ-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C)[nH]3)nn2)C1 ZINC000999961777 745104505 /nfs/dbraw/zinc/10/45/05/745104505.db2.gz JWNDDFHXMSDZPN-AWEZNQCLSA-N 1 1 327.392 0.510 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(CC)n[nH]3)nn2)C1 ZINC000999966846 745111831 /nfs/dbraw/zinc/11/18/31/745111831.db2.gz NUVAMIJCHGAGFC-CQSZACIVSA-N 1 1 327.392 0.374 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCCO3)nn2)C1 ZINC000999973658 745122682 /nfs/dbraw/zinc/12/26/82/745122682.db2.gz HFJMYWBJSDLNJI-CVEARBPZSA-N 1 1 331.420 0.734 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCCO3)nn2)C1 ZINC000999976836 745125711 /nfs/dbraw/zinc/12/57/11/745125711.db2.gz XBHQOBGCVTZPHG-HOTGVXAUSA-N 1 1 331.420 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCNC(=O)C3)nn2)C1 ZINC000999979073 745128041 /nfs/dbraw/zinc/12/80/41/745128041.db2.gz ICRZVRFPSSOYHW-DZGCQCFKSA-N 1 1 346.435 0.243 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)cn1 ZINC000977511425 745130531 /nfs/dbraw/zinc/13/05/31/745130531.db2.gz JDODRTUEXLIDEP-XJKSGUPXSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)cn1 ZINC000977511425 745130534 /nfs/dbraw/zinc/13/05/34/745130534.db2.gz JDODRTUEXLIDEP-XJKSGUPXSA-N 1 1 342.443 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3coc(C)n3)nn2)C1 ZINC000999982579 745134057 /nfs/dbraw/zinc/13/40/57/745134057.db2.gz ZYINBXYMLFLZIG-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnnc(C)c3)nn2)C1 ZINC000999984305 745136675 /nfs/dbraw/zinc/13/66/75/745136675.db2.gz LAFRKGGNKBAHJO-OAHLLOKOSA-N 1 1 325.376 0.187 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(Cl)cnn3C)nn2)C1 ZINC000999985237 745138687 /nfs/dbraw/zinc/13/86/87/745138687.db2.gz ANSLJMBOZSIEQO-GFCCVEGCSA-N 1 1 347.810 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(OC)ns3)nn2)C1 ZINC000999988891 745144988 /nfs/dbraw/zinc/14/49/88/745144988.db2.gz YNXBVRSYJPAHSS-LBPRGKRZSA-N 1 1 346.416 0.553 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnnn3CC)nn2)C1 ZINC000999993393 745151401 /nfs/dbraw/zinc/15/14/01/745151401.db2.gz SWEXFTRPEAYNQL-CQSZACIVSA-N 1 1 344.423 0.642 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999995450 745154660 /nfs/dbraw/zinc/15/46/60/745154660.db2.gz GHFJPUNULYPDIC-IAGOWNOFSA-N 1 1 344.463 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999995450 745154661 /nfs/dbraw/zinc/15/46/61/745154661.db2.gz GHFJPUNULYPDIC-IAGOWNOFSA-N 1 1 344.463 0.649 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088569646 751976565 /nfs/dbraw/zinc/97/65/65/751976565.db2.gz CTXNESJEWNRMBW-CJNGLKHVSA-N 1 1 342.378 0.443 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088569646 751976568 /nfs/dbraw/zinc/97/65/68/751976568.db2.gz CTXNESJEWNRMBW-CJNGLKHVSA-N 1 1 342.378 0.443 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000977540127 745164125 /nfs/dbraw/zinc/16/41/25/745164125.db2.gz MLASXXOSIKTMSQ-AWEZNQCLSA-N 1 1 335.452 0.683 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnnc3C)nn2)C1 ZINC001000001629 745164421 /nfs/dbraw/zinc/16/44/21/745164421.db2.gz DIMVJGADJZZLSW-AWEZNQCLSA-N 1 1 325.376 0.187 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(F)c[nH]3)nn2)C1 ZINC001000001883 745165116 /nfs/dbraw/zinc/16/51/16/745165116.db2.gz PFVOLPKCBBBAKO-CQSZACIVSA-N 1 1 330.367 0.945 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001000003336 745168267 /nfs/dbraw/zinc/16/82/67/745168267.db2.gz PDLQYZSKZYEEHN-AWEZNQCLSA-N 1 1 327.392 0.212 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnc(OC)c3)nn2)C1 ZINC001000003522 745168292 /nfs/dbraw/zinc/16/82/92/745168292.db2.gz QEUAPCCSVVDTDY-OAHLLOKOSA-N 1 1 340.387 0.492 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCNC3=O)nn2)C1 ZINC001000013683 745183185 /nfs/dbraw/zinc/18/31/85/745183185.db2.gz IQJVQRROOLIXHU-CABCVRRESA-N 1 1 346.435 0.243 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(=O)n3C)nn2)C1 ZINC001000015712 745185341 /nfs/dbraw/zinc/18/53/41/745185341.db2.gz PKESXOQIRQVRNU-LBPRGKRZSA-N 1 1 331.380 0.080 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)n3C)nn2)C1 ZINC001000016254 745186734 /nfs/dbraw/zinc/18/67/34/745186734.db2.gz RZVDPUMCNDGSHO-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C(F)F)n[nH]3)nn2)C1 ZINC001000025169 745195849 /nfs/dbraw/zinc/19/58/49/745195849.db2.gz OVXOGDXGJBUJNQ-NSHDSACASA-N 1 1 349.345 0.749 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001000030862 745205263 /nfs/dbraw/zinc/20/52/63/745205263.db2.gz UWLXMKCZPFBUHD-CQSZACIVSA-N 1 1 327.392 0.821 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(CC)nn3)nn2)C1 ZINC001000035778 745212141 /nfs/dbraw/zinc/21/21/41/745212141.db2.gz MJAMKMNRRGWMKI-AWEZNQCLSA-N 1 1 344.423 0.642 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCN3C(C)=O)nn2)C1 ZINC001000036005 745213202 /nfs/dbraw/zinc/21/32/02/745213202.db2.gz SFERAGIIQHKUIK-CVEARBPZSA-N 1 1 346.435 0.338 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(CC)cn3)nn2)C1 ZINC001000037118 745214754 /nfs/dbraw/zinc/21/47/54/745214754.db2.gz YPUSGJAGZBGTCB-OAHLLOKOSA-N 1 1 341.419 0.695 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c4cccnc34)nn2)C1 ZINC001000037360 745215247 /nfs/dbraw/zinc/21/52/47/745215247.db2.gz QRFCZEHVYROAHD-CQSZACIVSA-N 1 1 349.398 0.964 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CN(CC)CCO3)nn2)C1 ZINC001000042783 745223074 /nfs/dbraw/zinc/22/30/74/745223074.db2.gz HJEJOPYZIDCDSZ-HOTGVXAUSA-N 1 1 348.451 0.048 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CN(CC)CCO3)nn2)C1 ZINC001000042782 745223311 /nfs/dbraw/zinc/22/33/11/745223311.db2.gz HJEJOPYZIDCDSZ-CVEARBPZSA-N 1 1 348.451 0.048 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC34CCOCC4)nn2)C1 ZINC001000048027 745228588 /nfs/dbraw/zinc/22/85/88/745228588.db2.gz VCTUOBSZDCEGNT-JKSUJKDBSA-N 1 1 343.431 0.591 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000977585193 745245597 /nfs/dbraw/zinc/24/55/97/745245597.db2.gz OKVGRTYJFFKNTR-DAXOMENPSA-N 1 1 343.431 0.899 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001075780649 745323642 /nfs/dbraw/zinc/32/36/42/745323642.db2.gz SSGAIVNDSVRENK-IXDOHACOSA-N 1 1 329.444 0.849 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cccn3)[C@H]2CC)C1=O ZINC001087502414 745331188 /nfs/dbraw/zinc/33/11/88/745331188.db2.gz HBMYNNYVJJBQDA-ARFHVFGLSA-N 1 1 345.447 0.639 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3[nH]cnc3C)C(C)(C)C2)C1=O ZINC000977660448 745353865 /nfs/dbraw/zinc/35/38/65/745353865.db2.gz FYEKDHSSZQJPTQ-KBPBESRZSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3[nH]cnc3C)C(C)(C)C2)C1=O ZINC000977660448 745353870 /nfs/dbraw/zinc/35/38/70/745353870.db2.gz FYEKDHSSZQJPTQ-KBPBESRZSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC000977735403 745432451 /nfs/dbraw/zinc/43/24/51/745432451.db2.gz XYCQDCDWUZMZIP-KBPBESRZSA-N 1 1 346.435 0.089 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnsn2)C1 ZINC000983900130 745473997 /nfs/dbraw/zinc/47/39/97/745473997.db2.gz FVGCJRTXNUYHHF-YDHLFZDLSA-N 1 1 333.461 0.620 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nonc3C)C2)nn1 ZINC001000401142 745476877 /nfs/dbraw/zinc/47/68/77/745476877.db2.gz CMRQDMOYHVAWRS-GFCCVEGCSA-N 1 1 331.380 0.550 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nncs3)C2)nn1 ZINC001000405739 745479085 /nfs/dbraw/zinc/47/90/85/745479085.db2.gz UDQGWUYCOSHWBN-LLVKDONJSA-N 1 1 333.421 0.710 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCN2CCCC2=O)c[nH]1 ZINC001029278074 745506333 /nfs/dbraw/zinc/50/63/33/745506333.db2.gz KFAQGZQPSDRSDL-IYBDPMFKSA-N 1 1 341.415 0.798 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN2CCCC2=O)c[nH]1 ZINC001029278074 745506335 /nfs/dbraw/zinc/50/63/35/745506335.db2.gz KFAQGZQPSDRSDL-IYBDPMFKSA-N 1 1 341.415 0.798 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)[nH]1 ZINC001083414077 745531556 /nfs/dbraw/zinc/53/15/56/745531556.db2.gz KJWPEIJHXLWXOA-ZACQAIPSSA-N 1 1 346.431 0.602 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c[nH]1 ZINC001083414807 745543798 /nfs/dbraw/zinc/54/37/98/745543798.db2.gz WMSIJKSQXJONEQ-SJORKVTESA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c[nH]1 ZINC001083414807 745543799 /nfs/dbraw/zinc/54/37/99/745543799.db2.gz WMSIJKSQXJONEQ-SJORKVTESA-N 1 1 335.367 0.733 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](CC)C(N)=O)C2)c1 ZINC001027568068 745588661 /nfs/dbraw/zinc/58/86/61/745588661.db2.gz AASFKNIQDAJIRS-HZPDHXFCSA-N 1 1 328.416 0.863 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC([C@@H]2[N@@H+](CC(N)=O)CC23CCC3)CC1 ZINC001105391361 745624781 /nfs/dbraw/zinc/62/47/81/745624781.db2.gz CGIKSIIYVOCNLF-ZWKOTPCHSA-N 1 1 349.475 0.892 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)nn1 ZINC001105360813 752018197 /nfs/dbraw/zinc/01/81/97/752018197.db2.gz JWOOMMHDSLRBGK-LBPRGKRZSA-N 1 1 341.419 0.465 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cccnc1 ZINC000977926182 745680246 /nfs/dbraw/zinc/68/02/46/745680246.db2.gz JHAQMOWTWBWLDG-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cccnc1 ZINC000977926182 745680249 /nfs/dbraw/zinc/68/02/49/745680249.db2.gz JHAQMOWTWBWLDG-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1coc(C)n1 ZINC000977927214 745681268 /nfs/dbraw/zinc/68/12/68/745681268.db2.gz LGXYXJLANGEFHF-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1coc(C)n1 ZINC000977927214 745681273 /nfs/dbraw/zinc/68/12/73/745681273.db2.gz LGXYXJLANGEFHF-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001000696110 745706657 /nfs/dbraw/zinc/70/66/57/745706657.db2.gz NXESHAKQUQHBAF-IKGGRYGDSA-N 1 1 347.459 0.995 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC000977951819 745706787 /nfs/dbraw/zinc/70/67/87/745706787.db2.gz MDKNHIPTVXFJBO-NWDGAFQWSA-N 1 1 333.392 0.569 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC000977974237 745732535 /nfs/dbraw/zinc/73/25/35/745732535.db2.gz HVSHASZTVQAYCH-GUIRCDHDSA-N 1 1 327.388 0.025 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC000984047151 745734196 /nfs/dbraw/zinc/73/41/96/745734196.db2.gz HNOMGZNYDPQPPA-QAETUUGQSA-N 1 1 348.491 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnnn1C ZINC001029342442 745758415 /nfs/dbraw/zinc/75/84/15/745758415.db2.gz OUTANYVYCIUYNP-UXLLHSPISA-N 1 1 342.447 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnnn1C ZINC001029342442 745758420 /nfs/dbraw/zinc/75/84/20/745758420.db2.gz OUTANYVYCIUYNP-UXLLHSPISA-N 1 1 342.447 0.088 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978041647 745819196 /nfs/dbraw/zinc/81/91/96/745819196.db2.gz SGFONRFAZCICCP-FBUXBERBSA-N 1 1 341.415 0.461 20 30 ECEDMO C=CCOCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001105393890 745839879 /nfs/dbraw/zinc/83/98/79/745839879.db2.gz KFXWWSGKWCQLDD-OAHLLOKOSA-N 1 1 335.448 0.767 20 30 ECEDMO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083432394 752040013 /nfs/dbraw/zinc/04/00/13/752040013.db2.gz NQRPLBLMRHRRKT-SJORKVTESA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083432394 752040016 /nfs/dbraw/zinc/04/00/16/752040016.db2.gz NQRPLBLMRHRRKT-SJORKVTESA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1cnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n1 ZINC000978169622 746004213 /nfs/dbraw/zinc/00/42/13/746004213.db2.gz JEYFNLJBZGJCEF-PHZGNYQRSA-N 1 1 336.399 0.795 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)cc1 ZINC001028273465 752054476 /nfs/dbraw/zinc/05/44/76/752054476.db2.gz QDQUBQWJJNIYJU-CVEARBPZSA-N 1 1 326.400 0.917 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3conc3COC)C2)nn1 ZINC001105361052 752068581 /nfs/dbraw/zinc/06/85/81/752068581.db2.gz OVKSIIFZZSNDMM-UHFFFAOYSA-N 1 1 346.391 0.775 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC001001170939 746133878 /nfs/dbraw/zinc/13/38/78/746133878.db2.gz GAHKUTZVMFFNCI-OAGGEKHMSA-N 1 1 333.432 0.557 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)[C@H]1CC ZINC001087672918 746169997 /nfs/dbraw/zinc/16/99/97/746169997.db2.gz NXXGHUXADFVUSJ-ZNMIVQPWSA-N 1 1 343.418 0.945 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](CC)C(N)=O)C2)nn1 ZINC001027607590 746171984 /nfs/dbraw/zinc/17/19/84/746171984.db2.gz ZRTDSAPGCRGZGE-TZMCWYRMSA-N 1 1 334.424 0.264 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3csnn3)[C@H]2CC)C1=O ZINC001087675536 746175218 /nfs/dbraw/zinc/17/52/18/746175218.db2.gz RHVIPSJUEZUSGC-YUTCNCBUSA-N 1 1 349.460 0.908 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3csnn3)[C@H]2CC)C1=O ZINC001087675536 746175224 /nfs/dbraw/zinc/17/52/24/746175224.db2.gz RHVIPSJUEZUSGC-YUTCNCBUSA-N 1 1 349.460 0.908 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1CC ZINC001087679856 746180357 /nfs/dbraw/zinc/18/03/57/746180357.db2.gz MCGGNWGFGBVNES-QWHCGFSZSA-N 1 1 342.407 0.300 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001001255017 746213646 /nfs/dbraw/zinc/21/36/46/746213646.db2.gz UYJFGJHPGOCPJA-UHFFFAOYSA-N 1 1 332.404 0.299 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4c(n3)C[C@@H](OC)CC4)[C@@H]2C1 ZINC000978336264 746218479 /nfs/dbraw/zinc/21/84/79/746218479.db2.gz MAQHDJCGIOOPOQ-YHUYYLMFSA-N 1 1 342.443 0.775 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4c(n3)C[C@@H](OC)CC4)[C@@H]2C1 ZINC000978342674 746225100 /nfs/dbraw/zinc/22/51/00/746225100.db2.gz WMSLUONWRAHZEK-YHUYYLMFSA-N 1 1 342.443 0.775 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000978359001 746241203 /nfs/dbraw/zinc/24/12/03/746241203.db2.gz JGJVHAZHPLQQCX-XYYAHUGASA-N 1 1 339.417 0.411 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001029421800 746364425 /nfs/dbraw/zinc/36/44/25/746364425.db2.gz KFJCCBHANLXYOE-BETUJISGSA-N 1 1 334.420 0.426 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC001029421800 746364431 /nfs/dbraw/zinc/36/44/31/746364431.db2.gz KFJCCBHANLXYOE-BETUJISGSA-N 1 1 334.420 0.426 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007100311 752085676 /nfs/dbraw/zinc/08/56/76/752085676.db2.gz NIPPOXKJMNKFPM-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007100311 752085685 /nfs/dbraw/zinc/08/56/85/752085685.db2.gz NIPPOXKJMNKFPM-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001001456890 746395740 /nfs/dbraw/zinc/39/57/40/746395740.db2.gz QQWOYLUHMLKZRE-AWEZNQCLSA-N 1 1 327.450 0.393 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nnc(C)n3C2)CC1 ZINC001001467429 746409438 /nfs/dbraw/zinc/40/94/38/746409438.db2.gz JFHKOAOVNYAHHS-MRXNPFEDSA-N 1 1 327.432 0.921 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2ncnn2C)CC1 ZINC001001491848 746429953 /nfs/dbraw/zinc/42/99/53/746429953.db2.gz LRRQOPCGHCACQL-INIZCTEOSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2ncnn2C)CC1 ZINC001001491848 746429958 /nfs/dbraw/zinc/42/99/58/746429958.db2.gz LRRQOPCGHCACQL-INIZCTEOSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001087424201 746438161 /nfs/dbraw/zinc/43/81/61/746438161.db2.gz OFUQPFZTAQQCLD-GUDVDZBRSA-N 1 1 341.455 0.925 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001087424201 746438163 /nfs/dbraw/zinc/43/81/63/746438163.db2.gz OFUQPFZTAQQCLD-GUDVDZBRSA-N 1 1 341.455 0.925 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@@H]2O)c[nH]1 ZINC001083418074 746439648 /nfs/dbraw/zinc/43/96/48/746439648.db2.gz QFSIXNJFGBTWEJ-ZACQAIPSSA-N 1 1 346.431 0.602 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n1 ZINC000978644219 746536681 /nfs/dbraw/zinc/53/66/81/746536681.db2.gz YMTKHTNRPGTBBQ-QKDCVEJESA-N 1 1 337.387 0.190 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)nc1 ZINC001027656385 746597093 /nfs/dbraw/zinc/59/70/93/746597093.db2.gz OOXRGTIYRZKIDD-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cn(CC)nn3)C[C@H]21 ZINC000978728172 746638469 /nfs/dbraw/zinc/63/84/69/746638469.db2.gz FYLLJCPMVJNKEE-MTSZKFMLSA-N 1 1 345.447 0.683 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cn(CC)nn3)C[C@H]21 ZINC000978728172 746638474 /nfs/dbraw/zinc/63/84/74/746638474.db2.gz FYLLJCPMVJNKEE-MTSZKFMLSA-N 1 1 345.447 0.683 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)CC[C@@H]3C2)c1 ZINC001087925456 746670625 /nfs/dbraw/zinc/67/06/25/746670625.db2.gz NQNOICOYSKIZIS-CABCVRRESA-N 1 1 341.415 0.513 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)c[nH]c3CC(N)=O)[C@@H]2C1 ZINC000978745561 746672870 /nfs/dbraw/zinc/67/28/70/746672870.db2.gz MHKAZNNUKHJQMX-ZSOGYDGISA-N 1 1 330.432 0.835 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nc3C(F)(F)F)[C@@H]2C1 ZINC000978809487 746730481 /nfs/dbraw/zinc/73/04/81/746730481.db2.gz PRZVMMVKDXYUOG-RTCCRHLQSA-N 1 1 326.322 0.980 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)c3C(F)(F)F)[C@@H]2C1 ZINC000978812927 746734851 /nfs/dbraw/zinc/73/48/51/746734851.db2.gz FDFDNUPSKZUMPJ-OWUUHHOZSA-N 1 1 329.326 0.928 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C(C)(C)C)n3)C[C@@H]2C1 ZINC001087973858 746777437 /nfs/dbraw/zinc/77/74/37/746777437.db2.gz WNHATYOZLHTGSM-KGLIPLIRSA-N 1 1 330.436 0.845 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)C1 ZINC001001889845 746787985 /nfs/dbraw/zinc/78/79/85/746787985.db2.gz NRJOMFRQKUJOJG-KQTLUZQSSA-N 1 1 341.415 0.700 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001001907352 746798723 /nfs/dbraw/zinc/79/87/23/746798723.db2.gz HSKWEDGVBFACHD-IRXDYDNUSA-N 1 1 329.444 0.849 20 30 ECEDMO C=CCN1CC[C@@H](N(C)[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001027681702 746799951 /nfs/dbraw/zinc/79/99/51/746799951.db2.gz AWFOCZSSKYPBCW-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007150110 752128877 /nfs/dbraw/zinc/12/88/77/752128877.db2.gz GJPBDLAWNJUYNC-GDBMZVCRSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007150110 752128883 /nfs/dbraw/zinc/12/88/83/752128883.db2.gz GJPBDLAWNJUYNC-GDBMZVCRSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3cn(C)nn3)CC2)nn1 ZINC001001919634 746807736 /nfs/dbraw/zinc/80/77/36/746807736.db2.gz XJZXSWQGEKSTMG-UHFFFAOYSA-N 1 1 344.423 0.235 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@@H]2C1 ZINC001087984457 746829774 /nfs/dbraw/zinc/82/97/74/746829774.db2.gz BTRPXGUEQIHHGK-KFWWJZLASA-N 1 1 333.432 0.880 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](N(C)[C@@H](CC)C(N)=O)C2)CC1 ZINC001027693524 746857490 /nfs/dbraw/zinc/85/74/90/746857490.db2.gz DMLWERWUTGPKRC-IRXDYDNUSA-N 1 1 348.491 0.518 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC[NH+](CCS(C)(=O)=O)CC2)cn1 ZINC001002054414 746932122 /nfs/dbraw/zinc/93/21/22/746932122.db2.gz DQVBRLZORQCROO-UHFFFAOYSA-N 1 1 349.456 0.549 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(N)=O)[C@@H]2C1 ZINC000978954279 746948860 /nfs/dbraw/zinc/94/88/60/746948860.db2.gz WWLVANCCUGBQNS-YIYPIFLZSA-N 1 1 340.855 0.966 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC000978954787 746950916 /nfs/dbraw/zinc/95/09/16/746950916.db2.gz ZFLZAEGUQKLXHS-LZWOXQAQSA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC000978954787 746950921 /nfs/dbraw/zinc/95/09/21/746950921.db2.gz ZFLZAEGUQKLXHS-LZWOXQAQSA-N 1 1 328.416 0.737 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3nonc3C)C2)C1=O ZINC001027705535 746952577 /nfs/dbraw/zinc/95/25/77/746952577.db2.gz QTZCNQYARIQQNJ-UONOGXRCSA-N 1 1 347.419 0.701 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001059446284 746981262 /nfs/dbraw/zinc/98/12/62/746981262.db2.gz OPISQMSDRWCMTI-TUVASFSCSA-N 1 1 342.403 0.271 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001002115199 746992799 /nfs/dbraw/zinc/99/27/99/746992799.db2.gz PRHIEYLYPCBFJA-UHFFFAOYSA-N 1 1 340.811 0.680 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978992128 747003520 /nfs/dbraw/zinc/00/35/20/747003520.db2.gz DNVPNBRGJZZMTP-IVMMDQJWSA-N 1 1 343.431 0.995 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)CSCC#N ZINC001211888683 747126273 /nfs/dbraw/zinc/12/62/73/747126273.db2.gz JMJDNLJEYLYOLK-ZIAGYGMSSA-N 1 1 327.450 0.485 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)CSCC#N ZINC001211888683 747126276 /nfs/dbraw/zinc/12/62/76/747126276.db2.gz JMJDNLJEYLYOLK-ZIAGYGMSSA-N 1 1 327.450 0.485 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3C#N)C2)O1 ZINC001059461302 747126648 /nfs/dbraw/zinc/12/66/48/747126648.db2.gz BCJIEBPMTOBQGE-XKVFNRALSA-N 1 1 329.404 0.153 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3C#N)C2)O1 ZINC001059461302 747126653 /nfs/dbraw/zinc/12/66/53/747126653.db2.gz BCJIEBPMTOBQGE-XKVFNRALSA-N 1 1 329.404 0.153 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@@H]2C1 ZINC001088052357 747157554 /nfs/dbraw/zinc/15/75/54/747157554.db2.gz MBLXOPSGOGAPSH-CABCVRRESA-N 1 1 333.436 0.328 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]3C2)cc1 ZINC001088061890 747176658 /nfs/dbraw/zinc/17/66/58/747176658.db2.gz DJBKZMJAJCSAHM-XKQJLSEDSA-N 1 1 325.412 0.936 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnccn2)C1=O ZINC001027731257 747212701 /nfs/dbraw/zinc/21/27/01/747212701.db2.gz IIPYKRIOEKVBRZ-HIFRSBDPSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnccn2)C1=O ZINC001027731257 747212709 /nfs/dbraw/zinc/21/27/09/747212709.db2.gz IIPYKRIOEKVBRZ-HIFRSBDPSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)c3cnsn3)CC2)C1=O ZINC001002406689 747307286 /nfs/dbraw/zinc/30/72/86/747307286.db2.gz YRQUEXVVWTYCEJ-ZDUSSCGKSA-N 1 1 335.433 0.519 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001088113163 747412176 /nfs/dbraw/zinc/41/21/76/747412176.db2.gz QXQVINAZOLVOBU-WTTBNOFXSA-N 1 1 345.447 0.687 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001088113163 747412182 /nfs/dbraw/zinc/41/21/82/747412182.db2.gz QXQVINAZOLVOBU-WTTBNOFXSA-N 1 1 345.447 0.687 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C#CC2CC2)O1 ZINC001002488345 747423676 /nfs/dbraw/zinc/42/36/76/747423676.db2.gz MWJYPNDBTGTGRM-DJIMGWMZSA-N 1 1 347.459 0.568 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C#CC2CC2)O1 ZINC001002488345 747423680 /nfs/dbraw/zinc/42/36/80/747423680.db2.gz MWJYPNDBTGTGRM-DJIMGWMZSA-N 1 1 347.459 0.568 20 30 ECEDMO C[C@@H]([NH2+]Cc1ccon1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979292335 747525375 /nfs/dbraw/zinc/52/53/75/747525375.db2.gz LNWLCKXIJGDAGJ-ABAIWWIYSA-N 1 1 329.360 0.894 20 30 ECEDMO C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979282214 747528546 /nfs/dbraw/zinc/52/85/46/747528546.db2.gz XCPUUOFBUXXQLF-FZMZJTMJSA-N 1 1 343.391 0.034 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3nc4n(c3=O)CCCC4)C[C@@H]2C1 ZINC001088163593 747565098 /nfs/dbraw/zinc/56/50/98/747565098.db2.gz WMAYCCLXBOCVCX-CABCVRRESA-N 1 1 345.447 0.347 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C2)nn1 ZINC001105342824 747590733 /nfs/dbraw/zinc/59/07/33/747590733.db2.gz YZFPMIUWECDAAZ-HOTGVXAUSA-N 1 1 331.420 0.918 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979316496 747627072 /nfs/dbraw/zinc/62/70/72/747627072.db2.gz NZIDLYBJPLZJOL-ZFWWWQNUSA-N 1 1 346.435 0.202 20 30 ECEDMO CCn1ncc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979340848 747642925 /nfs/dbraw/zinc/64/29/25/747642925.db2.gz WWJVHIQGVUTIAV-CZUORRHYSA-N 1 1 331.420 0.417 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)nc1 ZINC001088174464 747676584 /nfs/dbraw/zinc/67/65/84/747676584.db2.gz XNKBLSCDQJTQMW-VYDXJSESSA-N 1 1 338.411 0.345 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000985333164 747736524 /nfs/dbraw/zinc/73/65/24/747736524.db2.gz ZFFUMLGAQNJYNN-KBPBESRZSA-N 1 1 336.436 0.316 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@@H]2C1 ZINC001088206070 747739065 /nfs/dbraw/zinc/73/90/65/747739065.db2.gz BVFLADXIVXVNKB-IXDOHACOSA-N 1 1 333.432 0.037 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)CC2CCS(=O)(=O)CC2)CC1 ZINC000985338939 747740192 /nfs/dbraw/zinc/74/01/92/747740192.db2.gz NSQJRDQXNJSCQQ-ZDUSSCGKSA-N 1 1 341.477 0.894 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001027791992 747769039 /nfs/dbraw/zinc/76/90/39/747769039.db2.gz GSZUEEKOUVPRFX-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001027791992 747769043 /nfs/dbraw/zinc/76/90/43/747769043.db2.gz GSZUEEKOUVPRFX-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CCn3ccnn3)CC2)C1 ZINC001088230635 747783681 /nfs/dbraw/zinc/78/36/81/747783681.db2.gz VPTLHLFOEWJZGS-QGZVFWFLSA-N 1 1 345.447 0.631 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001088230937 747783702 /nfs/dbraw/zinc/78/37/02/747783702.db2.gz CVGQQCNLSFTADO-QGZVFWFLSA-N 1 1 330.432 0.915 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3ccn[nH]3)CC2)C1 ZINC001088230937 747783705 /nfs/dbraw/zinc/78/37/05/747783705.db2.gz CVGQQCNLSFTADO-QGZVFWFLSA-N 1 1 330.432 0.915 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3ccn[nH]3)CC2)C1 ZINC001088230937 747783711 /nfs/dbraw/zinc/78/37/11/747783711.db2.gz CVGQQCNLSFTADO-QGZVFWFLSA-N 1 1 330.432 0.915 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC(CO[C@H]3CC[N@H+](CCO)C3)CC2)c1 ZINC001088231791 747793205 /nfs/dbraw/zinc/79/32/05/747793205.db2.gz ARGXRHNVOHOJMX-INIZCTEOSA-N 1 1 346.431 0.822 20 30 ECEDMO Cn1nncc1C[N@@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985360001 747797335 /nfs/dbraw/zinc/79/73/35/747797335.db2.gz AEHOJVRBIMMGDL-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC001088233535 747798610 /nfs/dbraw/zinc/79/86/10/747798610.db2.gz SFXRMEYGSCOIQL-GOSISDBHSA-N 1 1 344.459 0.925 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001088233889 747800892 /nfs/dbraw/zinc/80/08/92/747800892.db2.gz CIGMQOOWHLWBAL-INIZCTEOSA-N 1 1 346.435 0.026 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001088235701 747818803 /nfs/dbraw/zinc/81/88/03/747818803.db2.gz ZYSALJYWOQPWKU-HOTGVXAUSA-N 1 1 335.448 0.638 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001007236916 752214737 /nfs/dbraw/zinc/21/47/37/752214737.db2.gz RGLYYAAVOKWUSC-CABCVRRESA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001007236916 752214740 /nfs/dbraw/zinc/21/47/40/752214740.db2.gz RGLYYAAVOKWUSC-CABCVRRESA-N 1 1 345.447 0.884 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001002825247 747836012 /nfs/dbraw/zinc/83/60/12/747836012.db2.gz XBDFZGPXEIENLX-UHFFFAOYSA-N 1 1 325.376 0.326 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001088237279 747837479 /nfs/dbraw/zinc/83/74/79/747837479.db2.gz OUDCFJBPZFVISY-BDXSIMOUSA-N 1 1 332.444 0.842 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H]([C@H](C)[NH2+]Cc3cnon3)C2)nc1 ZINC000979442369 747848665 /nfs/dbraw/zinc/84/86/65/747848665.db2.gz GJJCUIGMTNCFTB-LRDDRELGSA-N 1 1 341.371 0.465 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2csc(=O)[nH]2)C1 ZINC001002835632 747857327 /nfs/dbraw/zinc/85/73/27/747857327.db2.gz MKZBCOAVYKLMSX-ZDUSSCGKSA-N 1 1 348.428 0.135 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2csc(=O)[nH]2)C1 ZINC001002835632 747857336 /nfs/dbraw/zinc/85/73/36/747857336.db2.gz MKZBCOAVYKLMSX-ZDUSSCGKSA-N 1 1 348.428 0.135 20 30 ECEDMO C[N@@H+](CCn1cncn1)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985390370 747880900 /nfs/dbraw/zinc/88/09/00/747880900.db2.gz FRLRQQOWKRKLSE-UHFFFAOYSA-N 1 1 327.392 0.714 20 30 ECEDMO C[N@@H+](C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1)[C@H]1CCCNC1=O ZINC000985392197 747886349 /nfs/dbraw/zinc/88/63/49/747886349.db2.gz RNDQQNWAPDRCSO-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(Br)C[N@@H+](C)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000985410958 747930322 /nfs/dbraw/zinc/93/03/22/747930322.db2.gz KJVUMGACZYQVLY-LLVKDONJSA-N 1 1 346.225 0.926 20 30 ECEDMO C=C(Br)C[N@H+](C)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000985410958 747930328 /nfs/dbraw/zinc/93/03/28/747930328.db2.gz KJVUMGACZYQVLY-LLVKDONJSA-N 1 1 346.225 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC12CC2 ZINC000979498760 747936995 /nfs/dbraw/zinc/93/69/95/747936995.db2.gz QXTFHMZYDDLKTF-LEOABGAYSA-N 1 1 327.428 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC12CC2 ZINC000979498760 747937001 /nfs/dbraw/zinc/93/70/01/747937001.db2.gz QXTFHMZYDDLKTF-LEOABGAYSA-N 1 1 327.428 0.457 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cn3cccn3)C2)C1=O ZINC001029648175 747977991 /nfs/dbraw/zinc/97/79/91/747977991.db2.gz HOGKCERLONSRHH-HZPDHXFCSA-N 1 1 345.447 0.450 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001029662467 747994699 /nfs/dbraw/zinc/99/46/99/747994699.db2.gz MQDOQUAVGSUFRB-ZBFHGGJFSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001029662467 747994703 /nfs/dbraw/zinc/99/47/03/747994703.db2.gz MQDOQUAVGSUFRB-ZBFHGGJFSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001029662467 747994709 /nfs/dbraw/zinc/99/47/09/747994709.db2.gz MQDOQUAVGSUFRB-ZBFHGGJFSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccon3)C2)C1=O ZINC001029663834 747997013 /nfs/dbraw/zinc/99/70/13/747997013.db2.gz JWVCUWMMIVUGCK-ZFWWWQNUSA-N 1 1 332.404 0.855 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985436386 748010713 /nfs/dbraw/zinc/01/07/13/748010713.db2.gz PPWUCJWOOFQUBS-UHFFFAOYSA-N 1 1 339.403 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC000979652623 748162310 /nfs/dbraw/zinc/16/23/10/748162310.db2.gz KLGKRBVTAVZHGP-LUKYLMHMSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC000979652623 748162315 /nfs/dbraw/zinc/16/23/15/748162315.db2.gz KLGKRBVTAVZHGP-LUKYLMHMSA-N 1 1 347.459 0.664 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001027825567 748199704 /nfs/dbraw/zinc/19/97/04/748199704.db2.gz BYZOFGJRAFFOSA-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCn2cccn2)CC1 ZINC000985476876 748212859 /nfs/dbraw/zinc/21/28/59/748212859.db2.gz VDTNXIWZPIFDMC-SFHVURJKSA-N 1 1 343.475 0.904 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2csnn2)C1 ZINC001029758457 748271971 /nfs/dbraw/zinc/27/19/71/748271971.db2.gz YUYNDVGEXKHPGS-HOCLYGCPSA-N 1 1 347.488 0.916 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2csnn2)C1 ZINC001029758457 748271976 /nfs/dbraw/zinc/27/19/76/748271976.db2.gz YUYNDVGEXKHPGS-HOCLYGCPSA-N 1 1 347.488 0.916 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(CCOC)nn3)C[C@@H]2C1 ZINC000979724836 748292027 /nfs/dbraw/zinc/29/20/27/748292027.db2.gz QIPQQHGRZWINFN-XHSDSOJGSA-N 1 1 345.447 0.778 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001059555174 748318960 /nfs/dbraw/zinc/31/89/60/748318960.db2.gz OAFHURIEUXJUGV-QAPCUYQASA-N 1 1 348.447 0.873 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCCC2=O)c[nH]1 ZINC001027835548 748385792 /nfs/dbraw/zinc/38/57/92/748385792.db2.gz FDAJNYWICVVRDU-OAHLLOKOSA-N 1 1 329.404 0.703 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCOCC3=O)C[C@@H]2C1 ZINC000979793523 748409034 /nfs/dbraw/zinc/40/90/34/748409034.db2.gz GWPXTTFFYNWDQK-XHSDSOJGSA-N 1 1 335.448 0.638 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCOCC3=O)C[C@@H]2C1 ZINC000979795622 748411498 /nfs/dbraw/zinc/41/14/98/748411498.db2.gz KECNHNSGPIKEKO-ARFHVFGLSA-N 1 1 333.432 0.085 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3n[nH]nc3C)C2)C1=O ZINC001029799502 748465697 /nfs/dbraw/zinc/46/56/97/748465697.db2.gz YRDXLJKXGKFGPZ-UONOGXRCSA-N 1 1 346.435 0.294 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001029799502 748465707 /nfs/dbraw/zinc/46/57/07/748465707.db2.gz YRDXLJKXGKFGPZ-UONOGXRCSA-N 1 1 346.435 0.294 20 30 ECEDMO Cn1nnnc1C[NH2+][C@@H]1CCCCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001088290081 748529515 /nfs/dbraw/zinc/52/95/15/748529515.db2.gz AONMTLVREAFSAG-CYBMUJFWSA-N 1 1 342.407 0.584 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001007314533 752282007 /nfs/dbraw/zinc/28/20/07/752282007.db2.gz CDYNJRBPOKYKQL-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001007314533 752282014 /nfs/dbraw/zinc/28/20/14/752282014.db2.gz CDYNJRBPOKYKQL-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnnc(C)c2)C1=O ZINC001027848974 748620003 /nfs/dbraw/zinc/62/00/03/748620003.db2.gz PFXSSYOIJHJRCL-CVEARBPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnnc(C)c2)C1=O ZINC001027848974 748620006 /nfs/dbraw/zinc/62/00/06/748620006.db2.gz PFXSSYOIJHJRCL-CVEARBPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cnnn3C)C2)c1 ZINC001029835270 748668226 /nfs/dbraw/zinc/66/82/26/748668226.db2.gz OTQPDWRPBXPNHW-OAHLLOKOSA-N 1 1 338.415 0.786 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nccc(C)n2)C1=O ZINC001027852119 748681737 /nfs/dbraw/zinc/68/17/37/748681737.db2.gz AKWXAQBAJAJFIO-HUUCEWRRSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nccc(C)n2)C1=O ZINC001027852119 748681741 /nfs/dbraw/zinc/68/17/41/748681741.db2.gz AKWXAQBAJAJFIO-HUUCEWRRSA-N 1 1 343.431 0.766 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCCCC[C@@H](NCC#N)C1 ZINC001088326163 748729526 /nfs/dbraw/zinc/72/95/26/748729526.db2.gz ISNXLYQVYCMKCA-HZPDHXFCSA-N 1 1 332.452 0.698 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CS(=O)(=O)C3)C[C@@H]2C1 ZINC000979977631 748753723 /nfs/dbraw/zinc/75/37/23/748753723.db2.gz GJTLVRMVSROCHW-ZNMIVQPWSA-N 1 1 326.462 0.824 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@@H]1COC(=O)N1 ZINC001027857900 748754574 /nfs/dbraw/zinc/75/45/74/748754574.db2.gz ALRKWBIGGPLOMO-CVEARBPZSA-N 1 1 327.384 0.727 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@@H]1COC(=O)N1 ZINC001027857900 748754580 /nfs/dbraw/zinc/75/45/80/748754580.db2.gz ALRKWBIGGPLOMO-CVEARBPZSA-N 1 1 327.384 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000979968696 748762088 /nfs/dbraw/zinc/76/20/88/748762088.db2.gz VGSDCYZHGSEDMX-DZKIICNBSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000979968696 748762090 /nfs/dbraw/zinc/76/20/90/748762090.db2.gz VGSDCYZHGSEDMX-DZKIICNBSA-N 1 1 343.431 0.440 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC[NH+](Cc3cnc(C)cn3)CC2)nn1 ZINC001003754895 748863584 /nfs/dbraw/zinc/86/35/84/748863584.db2.gz JLOCTWKMLDOQAT-UHFFFAOYSA-N 1 1 341.419 0.957 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817207 748882529 /nfs/dbraw/zinc/88/25/29/748882529.db2.gz AVYOJECNKNLFPO-UHFFFAOYSA-N 1 1 325.453 0.459 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001003789447 748897228 /nfs/dbraw/zinc/89/72/28/748897228.db2.gz WWCKPUXPWDFXKZ-RDJZCZTQSA-N 1 1 335.448 0.827 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CS(=O)(=O)C3)C[C@H]2C1 ZINC000980085440 748943303 /nfs/dbraw/zinc/94/33/03/748943303.db2.gz NBTNCSGEYCCFAD-JYJNAYRXSA-N 1 1 338.473 0.661 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 ZINC000980085313 748943415 /nfs/dbraw/zinc/94/34/15/748943415.db2.gz MMFJUXLELJTLJT-XHSDSOJGSA-N 1 1 347.463 0.765 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000985720261 748950505 /nfs/dbraw/zinc/95/05/05/748950505.db2.gz KYUVLEODBZXFDO-AWEZNQCLSA-N 1 1 331.420 0.484 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2n[nH]cc2C)C1=O ZINC001027876128 748959709 /nfs/dbraw/zinc/95/97/09/748959709.db2.gz FTHSEPKEOVNPGV-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2n[nH]cc2C)C1=O ZINC001027876128 748959713 /nfs/dbraw/zinc/95/97/13/748959713.db2.gz FTHSEPKEOVNPGV-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027879564 748979421 /nfs/dbraw/zinc/97/94/21/748979421.db2.gz UUFNJDXETZQSGZ-UONOGXRCSA-N 1 1 331.420 0.919 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(N)=O)cn3C)C[C@@H]2C1 ZINC000980139682 749049665 /nfs/dbraw/zinc/04/96/65/749049665.db2.gz JUUIEATWOKNKPZ-SQWLQELKSA-N 1 1 342.443 0.978 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001003936816 749062029 /nfs/dbraw/zinc/06/20/29/749062029.db2.gz OMXMKQOEDRTXTH-CYBMUJFWSA-N 1 1 346.431 0.975 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000985778142 749072258 /nfs/dbraw/zinc/07/22/58/749072258.db2.gz DUGPWAYQCHDMGN-UHFFFAOYSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(C)c[nH]c3CC(N)=O)C[C@H]2C1 ZINC000980150333 749072792 /nfs/dbraw/zinc/07/27/92/749072792.db2.gz BZCDLUZSLJONOR-KKUMJFAQSA-N 1 1 342.443 0.814 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001059645422 749089031 /nfs/dbraw/zinc/08/90/31/749089031.db2.gz BLLRSODRCFOAQR-DLBZAZTESA-N 1 1 349.475 0.723 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4n[nH]c(=O)n4c3)C[C@H]2C1 ZINC000980180871 749116979 /nfs/dbraw/zinc/11/69/79/749116979.db2.gz BCKSDUUXQRJWJM-QEJZJMRPSA-N 1 1 339.399 0.898 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@@H]3C2)cc1F ZINC000980186578 749138602 /nfs/dbraw/zinc/13/86/02/749138602.db2.gz OARUEVBCCAHYSZ-ZNMIVQPWSA-N 1 1 344.390 0.899 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C(=O)N2CC[NH+](CCCF)CC2)CC1 ZINC000985825262 749181638 /nfs/dbraw/zinc/18/16/38/749181638.db2.gz LWWDXPMATPZYPC-AWEZNQCLSA-N 1 1 339.415 0.387 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccn4c(=O)[nH]nc34)C[C@H]2C1 ZINC000980207585 749185468 /nfs/dbraw/zinc/18/54/68/749185468.db2.gz KCOGAKRHWAPHNB-IHRRRGAJSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]2C1 ZINC000980207583 749185615 /nfs/dbraw/zinc/18/56/15/749185615.db2.gz KCOGAKRHWAPHNB-BFHYXJOUSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H](C)CC)CC2)CC1 ZINC000985827264 749190058 /nfs/dbraw/zinc/19/00/58/749190058.db2.gz XTDCPNWRKDRFFM-MRXNPFEDSA-N 1 1 334.464 0.938 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]2C1 ZINC000980237841 749240707 /nfs/dbraw/zinc/24/07/07/749240707.db2.gz SUNHWDKBILAXQE-MELADBBJSA-N 1 1 346.431 0.167 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC000980249709 749254601 /nfs/dbraw/zinc/25/46/01/749254601.db2.gz YLVOTRQOWIDCMY-SOUVJXGZSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC000980258581 749266056 /nfs/dbraw/zinc/26/60/56/749266056.db2.gz ZEYNJWOMCMNDOA-AVGNSLFASA-N 1 1 332.404 0.502 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CC3(CC3)C2)C1 ZINC001004215300 749326674 /nfs/dbraw/zinc/32/66/74/749326674.db2.gz OKAJPGXIAXRCEX-INIZCTEOSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CC3(CC3)C2)C1 ZINC001004215300 749326681 /nfs/dbraw/zinc/32/66/81/749326681.db2.gz OKAJPGXIAXRCEX-INIZCTEOSA-N 1 1 329.444 0.849 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000980322326 749355806 /nfs/dbraw/zinc/35/58/06/749355806.db2.gz LEISSVYFURUBTL-LLVKDONJSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000980322326 749355812 /nfs/dbraw/zinc/35/58/12/749355812.db2.gz LEISSVYFURUBTL-LLVKDONJSA-N 1 1 342.827 0.602 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001059679635 749407312 /nfs/dbraw/zinc/40/73/12/749407312.db2.gz NNEHOCTZHJVIIE-INIZCTEOSA-N 1 1 346.431 0.586 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001004458451 749525927 /nfs/dbraw/zinc/52/59/27/749525927.db2.gz OKICMXIMPURGFA-LSDHHAIUSA-N 1 1 346.431 0.311 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000986097454 749530922 /nfs/dbraw/zinc/53/09/22/749530922.db2.gz BDGVMQKZAFDEJN-DGCLKSJQSA-N 1 1 342.407 0.676 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC001004495342 749567507 /nfs/dbraw/zinc/56/75/07/749567507.db2.gz UHSGZFJFGMDVOQ-MRXNPFEDSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001004508156 749580511 /nfs/dbraw/zinc/58/05/11/749580511.db2.gz SGODZUDLACGJCR-JKSUJKDBSA-N 1 1 332.448 0.736 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC000986132580 749600612 /nfs/dbraw/zinc/60/06/12/749600612.db2.gz APUXOOKBQKRRDX-CFVMTHIKSA-N 1 1 329.404 0.658 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000986138836 749604000 /nfs/dbraw/zinc/60/40/00/749604000.db2.gz ZMGUMRBAAWLLGW-WCQYABFASA-N 1 1 327.392 0.891 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000980468482 749618268 /nfs/dbraw/zinc/61/82/68/749618268.db2.gz WUPQNPWKMVVCTK-DJIMGWMZSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029921302 749622094 /nfs/dbraw/zinc/62/20/94/749622094.db2.gz GHUCIEROLZZVMG-IRXDYDNUSA-N 1 1 340.427 0.794 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029921302 749622098 /nfs/dbraw/zinc/62/20/98/749622098.db2.gz GHUCIEROLZZVMG-IRXDYDNUSA-N 1 1 340.427 0.794 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001004580479 749653257 /nfs/dbraw/zinc/65/32/57/749653257.db2.gz DXVWAZKAGKWWMD-CQSZACIVSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001004585149 749656828 /nfs/dbraw/zinc/65/68/28/749656828.db2.gz WTRWUHNOBFBPGA-HNNXBMFYSA-N 1 1 346.431 0.265 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nnc(C)[nH]1 ZINC001027942291 749665062 /nfs/dbraw/zinc/66/50/62/749665062.db2.gz BMRLFKZMBLOSRU-CABCVRRESA-N 1 1 330.436 0.291 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nnc(C)[nH]1 ZINC001027942291 749665069 /nfs/dbraw/zinc/66/50/69/749665069.db2.gz BMRLFKZMBLOSRU-CABCVRRESA-N 1 1 330.436 0.291 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001027966102 750026716 /nfs/dbraw/zinc/02/67/16/750026716.db2.gz KTDNSTJHUOGHNX-XQQFMLRXSA-N 1 1 334.338 0.937 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)CCn3cccn3)CC2)C1=O ZINC000980726145 750039861 /nfs/dbraw/zinc/03/98/61/750039861.db2.gz IICKVAZSGZIQDF-MRXNPFEDSA-N 1 1 345.447 0.594 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)CCn3cccn3)CC2)C1=O ZINC000980726145 750039873 /nfs/dbraw/zinc/03/98/73/750039873.db2.gz IICKVAZSGZIQDF-MRXNPFEDSA-N 1 1 345.447 0.594 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001105430639 750044833 /nfs/dbraw/zinc/04/48/33/750044833.db2.gz QZTMQHOSDRPHFO-CQSZACIVSA-N 1 1 330.436 0.893 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[C@@H]3CCCO3)CC2)C1=O ZINC000980757619 750095747 /nfs/dbraw/zinc/09/57/47/750095747.db2.gz YAEAOVOKEFFDOV-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[C@@H]3CCCO3)CC2)C1=O ZINC000980757619 750095752 /nfs/dbraw/zinc/09/57/52/750095752.db2.gz YAEAOVOKEFFDOV-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058849450 750172151 /nfs/dbraw/zinc/17/21/51/750172151.db2.gz UTLUURDPIVDUGV-GJZGRUSLSA-N 1 1 339.480 0.724 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1OCC(N)=O ZINC001028009397 750345262 /nfs/dbraw/zinc/34/52/62/750345262.db2.gz LDFNLUHCDNNLNT-AWEZNQCLSA-N 1 1 329.400 0.768 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058857487 750353202 /nfs/dbraw/zinc/35/32/02/750353202.db2.gz RBTRDQNGFQMZFO-GXTWGEPZSA-N 1 1 344.419 0.254 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058857487 750353208 /nfs/dbraw/zinc/35/32/08/750353208.db2.gz RBTRDQNGFQMZFO-GXTWGEPZSA-N 1 1 344.419 0.254 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3CCCCO3)CC2)C1=O ZINC000980984416 750431982 /nfs/dbraw/zinc/43/19/82/750431982.db2.gz KCVCPBFPLYGPRU-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3CCCCO3)CC2)C1=O ZINC000980984416 750431984 /nfs/dbraw/zinc/43/19/84/750431984.db2.gz KCVCPBFPLYGPRU-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(CC4CC4)nn3)C2)nn1 ZINC001105351795 750465102 /nfs/dbraw/zinc/46/51/02/750465102.db2.gz JNHSTBOPTGLAAQ-UHFFFAOYSA-N 1 1 342.407 0.252 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C)cn3)[C@H]2C)nn1 ZINC000987131720 750517349 /nfs/dbraw/zinc/51/73/49/750517349.db2.gz GEHTXIQGQYUQHL-ZIAGYGMSSA-N 1 1 341.419 0.955 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)NC1=O ZINC001028075947 750524643 /nfs/dbraw/zinc/52/46/43/750524643.db2.gz GCEAQUQRKGCGFW-IRXDYDNUSA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2)NC1=O ZINC001028075947 750524648 /nfs/dbraw/zinc/52/46/48/750524648.db2.gz GCEAQUQRKGCGFW-IRXDYDNUSA-N 1 1 340.427 0.642 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccn[nH]2)C1 ZINC001005724827 750560336 /nfs/dbraw/zinc/56/03/36/750560336.db2.gz QHFRJRZWCMJKOL-WFASDCNBSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccn[nH]2)C1 ZINC001005724827 750560339 /nfs/dbraw/zinc/56/03/39/750560339.db2.gz QHFRJRZWCMJKOL-WFASDCNBSA-N 1 1 329.404 0.084 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCCS3(=O)=O)C2)C1 ZINC001041338364 750570724 /nfs/dbraw/zinc/57/07/24/750570724.db2.gz GWGCVUZAHBFVRL-MRXNPFEDSA-N 1 1 341.477 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccon2)C1 ZINC001005754660 750595801 /nfs/dbraw/zinc/59/58/01/750595801.db2.gz GSSBQTVPMULRNN-DOMZBBRYSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccon2)C1 ZINC001005754660 750595804 /nfs/dbraw/zinc/59/58/04/750595804.db2.gz GSSBQTVPMULRNN-DOMZBBRYSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN([C@H]2CCN(CC)C2=O)CC1 ZINC000981365170 750628002 /nfs/dbraw/zinc/62/80/02/750628002.db2.gz JIYJWBWLKSTJFZ-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN([C@H]2CCN(CC)C2=O)CC1 ZINC000981365170 750628007 /nfs/dbraw/zinc/62/80/07/750628007.db2.gz JIYJWBWLKSTJFZ-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cocn2)C1 ZINC001005808457 750662824 /nfs/dbraw/zinc/66/28/24/750662824.db2.gz FKKUTWZZJRXVRY-WFASDCNBSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cocn2)C1 ZINC001005808457 750662827 /nfs/dbraw/zinc/66/28/27/750662827.db2.gz FKKUTWZZJRXVRY-WFASDCNBSA-N 1 1 330.388 0.349 20 30 ECEDMO C=CCn1cc(C(=O)N2CC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001005825532 750692839 /nfs/dbraw/zinc/69/28/39/750692839.db2.gz YATWJYQCZZENFX-SWLSCSKDSA-N 1 1 346.435 0.135 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001005866425 750745315 /nfs/dbraw/zinc/74/53/15/750745315.db2.gz MTYSVWGLLVMUAR-QWHCGFSZSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H](NCc3cnon3)C2)CC1 ZINC000981539876 750789104 /nfs/dbraw/zinc/78/91/04/750789104.db2.gz AFLLKYPQSPZQHO-HZPDHXFCSA-N 1 1 345.447 0.932 20 30 ECEDMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001005916038 750797964 /nfs/dbraw/zinc/79/79/64/750797964.db2.gz WWTZEKWATQTZKJ-INIZCTEOSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)C(F)F)C3)C2)C1=O ZINC000981571115 750810662 /nfs/dbraw/zinc/81/06/62/750810662.db2.gz TVNRVKIXXRNQKM-GFCCVEGCSA-N 1 1 327.375 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2coc(C)n2)C1 ZINC001005971667 750868552 /nfs/dbraw/zinc/86/85/52/750868552.db2.gz OPNJFSYXADDPRN-WBMJQRKESA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2coc(C)n2)C1 ZINC001005971667 750868559 /nfs/dbraw/zinc/86/85/59/750868559.db2.gz OPNJFSYXADDPRN-WBMJQRKESA-N 1 1 344.415 0.657 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)nc1 ZINC000987464342 750877456 /nfs/dbraw/zinc/87/74/56/750877456.db2.gz OGEFQFIUPYNBEB-UKPHBRMFSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC000981625772 750899230 /nfs/dbraw/zinc/89/92/30/750899230.db2.gz SDJKCRTYUOSTBS-VVLHAWIVSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC000981625772 750899237 /nfs/dbraw/zinc/89/92/37/750899237.db2.gz SDJKCRTYUOSTBS-VVLHAWIVSA-N 1 1 347.459 0.664 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCCC3(CN(C(=O)CC(N)=O)C3)C2)c1 ZINC000981679062 750962648 /nfs/dbraw/zinc/96/26/48/750962648.db2.gz KWWMYUWNUOTQRB-UHFFFAOYSA-N 1 1 344.390 0.997 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCC3(CN(C(=O)CC(N)=O)C3)C2)c1 ZINC000981679062 750962651 /nfs/dbraw/zinc/96/26/51/750962651.db2.gz KWWMYUWNUOTQRB-UHFFFAOYSA-N 1 1 344.390 0.997 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CCCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000981722307 751002337 /nfs/dbraw/zinc/00/23/37/751002337.db2.gz PAODXWDZVFQZSH-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)CC2)cc1 ZINC000981731812 751013379 /nfs/dbraw/zinc/01/33/79/751013379.db2.gz PLKCRXGGHPIONL-INIZCTEOSA-N 1 1 339.395 0.621 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)cc1 ZINC000981731812 751013387 /nfs/dbraw/zinc/01/33/87/751013387.db2.gz PLKCRXGGHPIONL-INIZCTEOSA-N 1 1 339.395 0.621 20 30 ECEDMO CN1C[C@H](C(=O)N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)NC1=O ZINC000981750957 751052186 /nfs/dbraw/zinc/05/21/86/751052186.db2.gz LOIDDSIFMQESEN-MRXNPFEDSA-N 1 1 341.415 0.616 20 30 ECEDMO CN1C[C@H](C(=O)N2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)NC1=O ZINC000981750957 751052191 /nfs/dbraw/zinc/05/21/91/751052191.db2.gz LOIDDSIFMQESEN-MRXNPFEDSA-N 1 1 341.415 0.616 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC000981800808 751115714 /nfs/dbraw/zinc/11/57/14/751115714.db2.gz KFVFMKVDEFZNDU-INIZCTEOSA-N 1 1 349.475 0.982 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](Cn3cccn3)N(C)C)C2)C1 ZINC000981812883 751133819 /nfs/dbraw/zinc/13/38/19/751133819.db2.gz XEUFGBMGXAZAJY-KRWDZBQOSA-N 1 1 343.475 0.761 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCCNC2=O)c1 ZINC001028127868 751134647 /nfs/dbraw/zinc/13/46/47/751134647.db2.gz YGNLETIOLLXSJR-HZPDHXFCSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCCNC2=O)c1 ZINC001028127868 751134649 /nfs/dbraw/zinc/13/46/49/751134649.db2.gz YGNLETIOLLXSJR-HZPDHXFCSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)c1 ZINC001028127588 751143054 /nfs/dbraw/zinc/14/30/54/751143054.db2.gz WDXXSINMVCYJJD-HUUCEWRRSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)c1 ZINC001028127588 751143058 /nfs/dbraw/zinc/14/30/58/751143058.db2.gz WDXXSINMVCYJJD-HUUCEWRRSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCN(C)C2=O)c1 ZINC001028130243 751154857 /nfs/dbraw/zinc/15/48/57/751154857.db2.gz ZXOMFBXMQHSSHG-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCN(C)C2=O)c1 ZINC001028130243 751154860 /nfs/dbraw/zinc/15/48/60/751154860.db2.gz ZXOMFBXMQHSSHG-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3nc4ncc(C)cn4n3)C2)C1 ZINC000981835436 751165723 /nfs/dbraw/zinc/16/57/23/751165723.db2.gz JUXCAPZZJKPYMD-UHFFFAOYSA-N 1 1 338.415 0.994 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)ccc1F ZINC001028140423 751193536 /nfs/dbraw/zinc/19/35/36/751193536.db2.gz OBXZCPIKFPLLCG-ZNMIVQPWSA-N 1 1 344.390 0.899 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)ccc1F ZINC001028140423 751193541 /nfs/dbraw/zinc/19/35/41/751193541.db2.gz OBXZCPIKFPLLCG-ZNMIVQPWSA-N 1 1 344.390 0.899 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(=O)n(CCOC)n3)C2)C1 ZINC000981880836 751233336 /nfs/dbraw/zinc/23/33/36/751233336.db2.gz GWCDBWFHIMMUDN-UHFFFAOYSA-N 1 1 344.415 0.061 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccoc2)C1 ZINC001006320126 751242686 /nfs/dbraw/zinc/24/26/86/751242686.db2.gz NOBRVWFKXIEGFC-CJNGLKHVSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccoc2)C1 ZINC001006320126 751242691 /nfs/dbraw/zinc/24/26/91/751242691.db2.gz NOBRVWFKXIEGFC-CJNGLKHVSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cnccn2)C1 ZINC001006321861 751244173 /nfs/dbraw/zinc/24/41/73/751244173.db2.gz SIRSSDKMGWPJPQ-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cnccn2)C1 ZINC001006321861 751244177 /nfs/dbraw/zinc/24/41/77/751244177.db2.gz SIRSSDKMGWPJPQ-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006346005 751269631 /nfs/dbraw/zinc/26/96/31/751269631.db2.gz XXLMEDOODNYHTF-XJKCOSOUSA-N 1 1 333.432 0.082 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006346005 751269634 /nfs/dbraw/zinc/26/96/34/751269634.db2.gz XXLMEDOODNYHTF-XJKCOSOUSA-N 1 1 333.432 0.082 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007339205 752306529 /nfs/dbraw/zinc/30/65/29/752306529.db2.gz XVCCQXLJTYYQEP-KGLIPLIRSA-N 1 1 331.420 0.919 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncs2)C1 ZINC001020945491 752372480 /nfs/dbraw/zinc/37/24/80/752372480.db2.gz LHQPDNLYKZXYTL-HAQNSBGRSA-N 1 1 343.412 0.996 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1OC ZINC001212031959 752429483 /nfs/dbraw/zinc/42/94/83/752429483.db2.gz COGLTBNEMFOTKO-ZIAGYGMSSA-N 1 1 325.434 0.704 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1OC ZINC001212031959 752429485 /nfs/dbraw/zinc/42/94/85/752429485.db2.gz COGLTBNEMFOTKO-ZIAGYGMSSA-N 1 1 325.434 0.704 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001059910876 752446447 /nfs/dbraw/zinc/44/64/47/752446447.db2.gz ABZJWGWJIXGKGH-YOEHRIQHSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001059910876 752446451 /nfs/dbraw/zinc/44/64/51/752446451.db2.gz ABZJWGWJIXGKGH-YOEHRIQHSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4cc[nH]c34)C2)nn1 ZINC001105367924 752465896 /nfs/dbraw/zinc/46/58/96/752465896.db2.gz IRQHTNSATGEWQB-UHFFFAOYSA-N 1 1 326.364 0.227 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)nn1 ZINC001105368001 752467060 /nfs/dbraw/zinc/46/70/60/752467060.db2.gz MACCAUKJRBCOOY-CQSZACIVSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3Cc4cccnc4C3)C2)nn1 ZINC001105368064 752467299 /nfs/dbraw/zinc/46/72/99/752467299.db2.gz OJNKHIYJACMMMB-CQSZACIVSA-N 1 1 338.415 0.747 20 30 ECEDMO C=CCC1(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)CCOCC1 ZINC001105368479 752469054 /nfs/dbraw/zinc/46/90/54/752469054.db2.gz YPKBCUGJCPQXCG-UHFFFAOYSA-N 1 1 349.435 0.116 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988654641 752487470 /nfs/dbraw/zinc/48/74/70/752487470.db2.gz MGEVQZPMTDJMKB-CMPLNLGQSA-N 1 1 340.391 0.601 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cnc(C)cn3)C2)C1=O ZINC001028382064 752510154 /nfs/dbraw/zinc/51/01/54/752510154.db2.gz DHTGPFNQDAACIK-GOEBONIOSA-N 1 1 343.431 0.624 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000937850642 752561908 /nfs/dbraw/zinc/56/19/08/752561908.db2.gz IBUGYWBFQSKDLS-AWEZNQCLSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001028432197 752625487 /nfs/dbraw/zinc/62/54/87/752625487.db2.gz YVQWXJOUGWDTJP-GDBMZVCRSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccon2)[C@@H]1C ZINC000988737659 752639856 /nfs/dbraw/zinc/63/98/56/752639856.db2.gz DQPSKMPGRRFBLX-KBMXLJTQSA-N 1 1 344.415 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccon2)[C@@H]1C ZINC000988737659 752639858 /nfs/dbraw/zinc/63/98/58/752639858.db2.gz DQPSKMPGRRFBLX-KBMXLJTQSA-N 1 1 344.415 0.420 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1C ZINC000988738280 752641116 /nfs/dbraw/zinc/64/11/16/752641116.db2.gz KUCOXXBXOZXVJV-KBMXLJTQSA-N 1 1 343.431 0.155 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1C ZINC000988738280 752641117 /nfs/dbraw/zinc/64/11/17/752641117.db2.gz KUCOXXBXOZXVJV-KBMXLJTQSA-N 1 1 343.431 0.155 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)/C=C\C3CC3)[C@H](OC)C2)C1=O ZINC001212086587 752718458 /nfs/dbraw/zinc/71/84/58/752718458.db2.gz CBDUDHFKMRISPR-WKHAIOEXSA-N 1 1 333.432 0.555 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)/C=C\C3CC3)[C@H](OC)C2)C1=O ZINC001212086587 752718462 /nfs/dbraw/zinc/71/84/62/752718462.db2.gz CBDUDHFKMRISPR-WKHAIOEXSA-N 1 1 333.432 0.555 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001007679016 752772314 /nfs/dbraw/zinc/77/23/14/752772314.db2.gz MEYANCSZLOKONU-GFCCVEGCSA-N 1 1 327.406 0.697 20 30 ECEDMO COCCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1cnc(C#N)cn1 ZINC001126372767 752798238 /nfs/dbraw/zinc/79/82/38/752798238.db2.gz IZBZDXLUGYQKKA-CQSZACIVSA-N 1 1 346.435 0.259 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001007696836 752807689 /nfs/dbraw/zinc/80/76/89/752807689.db2.gz VMQWJJSGMHABIQ-CYBMUJFWSA-N 1 1 327.388 0.955 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001007696836 752807696 /nfs/dbraw/zinc/80/76/96/752807696.db2.gz VMQWJJSGMHABIQ-CYBMUJFWSA-N 1 1 327.388 0.955 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)c[nH]1 ZINC001028488829 752824559 /nfs/dbraw/zinc/82/45/59/752824559.db2.gz HRAOARUIFSLWSO-CYBMUJFWSA-N 1 1 329.404 0.560 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)[nH]1 ZINC001028490245 752829684 /nfs/dbraw/zinc/82/96/84/752829684.db2.gz JNNPOASLMDRBBC-AWEZNQCLSA-N 1 1 343.431 0.951 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001083456183 752839211 /nfs/dbraw/zinc/83/92/11/752839211.db2.gz KDNPVLOSBFXSSB-CVEARBPZSA-N 1 1 329.404 0.766 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001028490869 752840962 /nfs/dbraw/zinc/84/09/62/752840962.db2.gz PLKYRUUVBHTBQX-LBPRGKRZSA-N 1 1 340.387 0.937 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)Cn1ncnn1 ZINC000988828795 752942087 /nfs/dbraw/zinc/94/20/87/752942087.db2.gz NACHGCCTUGJCEL-XHDPSFHLSA-N 1 1 343.366 0.463 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cncn3C)C2)C1=O ZINC001007813551 752955731 /nfs/dbraw/zinc/95/57/31/752955731.db2.gz UYZYFQWXKWIBRV-KGLIPLIRSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cncn3C)C2)C1=O ZINC001007813551 752955736 /nfs/dbraw/zinc/95/57/36/752955736.db2.gz UYZYFQWXKWIBRV-KGLIPLIRSA-N 1 1 331.420 0.401 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001028506204 752958248 /nfs/dbraw/zinc/95/82/48/752958248.db2.gz WLIUURICVVBAKW-LBPRGKRZSA-N 1 1 344.253 0.811 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001028506204 752958254 /nfs/dbraw/zinc/95/82/54/752958254.db2.gz WLIUURICVVBAKW-LBPRGKRZSA-N 1 1 344.253 0.811 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001007842583 752979190 /nfs/dbraw/zinc/97/91/90/752979190.db2.gz BWMAWDGDHOXUIQ-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)c2cnnn2C)C1 ZINC001028513774 753002576 /nfs/dbraw/zinc/00/25/76/753002576.db2.gz WJNGPSRMXSNAQS-SNVBAGLBSA-N 1 1 328.214 0.775 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)c2cnnn2C)C1 ZINC001028513774 753002584 /nfs/dbraw/zinc/00/25/84/753002584.db2.gz WJNGPSRMXSNAQS-SNVBAGLBSA-N 1 1 328.214 0.775 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)ccc1F ZINC001028520167 753047898 /nfs/dbraw/zinc/04/78/98/753047898.db2.gz XZGGYOGDQJBDKL-IUODEOHRSA-N 1 1 346.362 0.744 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](CCNC(=O)CSCC#N)C1 ZINC001059941196 753091801 /nfs/dbraw/zinc/09/18/01/753091801.db2.gz IFEKMQIIYAXEFY-AWEZNQCLSA-N 1 1 349.460 0.803 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3nn(C)cc3C)C2)C1=O ZINC001028537554 753099334 /nfs/dbraw/zinc/09/93/34/753099334.db2.gz NFCZPDRCIJUBDL-LSDHHAIUSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000989064727 753202096 /nfs/dbraw/zinc/20/20/96/753202096.db2.gz ODPVKQIKQAJMKT-JYJNAYRXSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000989064727 753202099 /nfs/dbraw/zinc/20/20/99/753202099.db2.gz ODPVKQIKQAJMKT-JYJNAYRXSA-N 1 1 329.444 0.991 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccns3)C2)C1=O ZINC001028575889 753251121 /nfs/dbraw/zinc/25/11/21/753251121.db2.gz UKLYUFWACBSVBI-STQMWFEESA-N 1 1 334.445 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC000938104927 753284211 /nfs/dbraw/zinc/28/42/11/753284211.db2.gz WORCSKQPTBHWKL-HOCLYGCPSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC000938104927 753284218 /nfs/dbraw/zinc/28/42/18/753284218.db2.gz WORCSKQPTBHWKL-HOCLYGCPSA-N 1 1 344.415 0.340 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCCCNC(C)=O)C2)nn1 ZINC001105370981 753382549 /nfs/dbraw/zinc/38/25/49/753382549.db2.gz DXOSQHLDJXJXFK-UHFFFAOYSA-N 1 1 348.451 0.634 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@]2(C)C1 ZINC000982727685 753426243 /nfs/dbraw/zinc/42/62/43/753426243.db2.gz GAUHGWOZCLHIEJ-CALCHBBNSA-N 1 1 348.403 0.866 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(C(=O)NC)n3)C[C@@]2(C)C1 ZINC000982774352 753523854 /nfs/dbraw/zinc/52/38/54/753523854.db2.gz LKWHVQMZBRAKGV-KDURUIRLSA-N 1 1 340.427 0.858 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@]2(C)C1 ZINC000982781556 753539834 /nfs/dbraw/zinc/53/98/34/753539834.db2.gz AWHSTOTVCVZGIB-HDICACEKSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnc[nH]c3=O)[C@H]2C)C1=O ZINC001088649816 753544481 /nfs/dbraw/zinc/54/44/81/753544481.db2.gz XNIHDPLBUMYBMP-KWCYVHTRSA-N 1 1 345.403 0.162 20 30 ECEDMO C#CCNC(=O)CC(=O)N1C[C@H]2C[N@H+](C[C@@H](CC)OC)C[C@@]2(C)C1 ZINC001101207717 753557016 /nfs/dbraw/zinc/55/70/16/753557016.db2.gz PQODPYLHLNOSMT-RKVPGOIHSA-N 1 1 335.448 0.331 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2snc(Cl)c2C#N)C1 ZINC001105853240 762224343 /nfs/dbraw/zinc/22/43/43/762224343.db2.gz JMPDXJKTQHNWTR-IUCAKERBSA-N 1 1 343.840 0.509 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)c1nnn(C)n1 ZINC000989307873 753599907 /nfs/dbraw/zinc/59/99/07/753599907.db2.gz LVNIGJMDTVNNLJ-QMTHXVAHSA-N 1 1 343.366 0.614 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnco2)C(C)(C)C1 ZINC001008369687 753666152 /nfs/dbraw/zinc/66/61/52/753666152.db2.gz PJXYNEIIDPNKRC-DZGCQCFKSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnco2)C(C)(C)C1 ZINC001008369687 753666158 /nfs/dbraw/zinc/66/61/58/753666158.db2.gz PJXYNEIIDPNKRC-DZGCQCFKSA-N 1 1 344.415 0.739 20 30 ECEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@]2(C)C1 ZINC000982797215 753744412 /nfs/dbraw/zinc/74/44/12/753744412.db2.gz CGESVHPTJXNISN-HDICACEKSA-N 1 1 346.431 0.846 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCN3CCCC3=O)C2)nn1 ZINC001105374246 753749928 /nfs/dbraw/zinc/74/99/28/753749928.db2.gz QPSRGWRFPDFMEB-UHFFFAOYSA-N 1 1 346.435 0.340 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001098685333 753766350 /nfs/dbraw/zinc/76/63/50/753766350.db2.gz FKISEEJOYSVZNE-SJORKVTESA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685333 753766356 /nfs/dbraw/zinc/76/63/56/753766356.db2.gz FKISEEJOYSVZNE-SJORKVTESA-N 1 1 344.463 0.649 20 30 ECEDMO CN(CCN(C)c1nccnc1C#N)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001105558807 753830599 /nfs/dbraw/zinc/83/05/99/753830599.db2.gz DBTBJUCIJRHDRO-UHFFFAOYSA-N 1 1 330.436 0.975 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@@]2(C)C1 ZINC000982816280 753839296 /nfs/dbraw/zinc/83/92/96/753839296.db2.gz GPKLVFOQWIATCK-RYQLBKOJSA-N 1 1 335.448 0.590 20 30 ECEDMO CN(CCN(C)c1ncccc1C#N)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583300 753864875 /nfs/dbraw/zinc/86/48/75/753864875.db2.gz RHYOPENMFFODTB-JKSUJKDBSA-N 1 1 343.431 0.711 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccsn3)C2)C1=O ZINC001028620498 753953054 /nfs/dbraw/zinc/95/30/54/753953054.db2.gz BSMNCOYSMRNUGC-TZMCWYRMSA-N 1 1 334.445 0.982 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C(N)=O)nc3)C[C@@]2(C)C1 ZINC000982851282 753991634 /nfs/dbraw/zinc/99/16/34/753991634.db2.gz NODJQXUVMTVQRO-HDICACEKSA-N 1 1 326.400 0.598 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)OCCOCC)C2)nn1 ZINC001105376860 754060798 /nfs/dbraw/zinc/06/07/98/754060798.db2.gz HCELXTNTSAQKEY-ZDUSSCGKSA-N 1 1 337.424 0.379 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cn(CC)nn3)C[C@@H]2C)nn1 ZINC000989536985 754081517 /nfs/dbraw/zinc/08/15/17/754081517.db2.gz QRYZJJIEQUNGHF-STQMWFEESA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cnn(CC)n3)C[C@H]2C)nn1 ZINC000989537075 754081552 /nfs/dbraw/zinc/08/15/52/754081552.db2.gz RJFVPDFNMKPUJQ-OLZOCXBDSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3ncc(C)cn3)C[C@H]2C)nn1 ZINC000989537685 754086885 /nfs/dbraw/zinc/08/68/85/754086885.db2.gz WKMLPULKNAEFST-ZIAGYGMSSA-N 1 1 341.419 0.955 20 30 ECEDMO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)o1 ZINC001051523873 762274599 /nfs/dbraw/zinc/27/45/99/762274599.db2.gz LPTIIXAIVUQFRN-ZDUSSCGKSA-N 1 1 329.360 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccsn2)C1 ZINC000982914926 754169986 /nfs/dbraw/zinc/16/99/86/754169986.db2.gz KQDKFOMYWVCJOR-ZFWWWQNUSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccsn2)C1 ZINC000982914926 754169988 /nfs/dbraw/zinc/16/99/88/754169988.db2.gz KQDKFOMYWVCJOR-ZFWWWQNUSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000982921999 754202969 /nfs/dbraw/zinc/20/29/69/754202969.db2.gz ITVGMQCDYWDAFA-KBPBESRZSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000982921999 754202974 /nfs/dbraw/zinc/20/29/74/754202974.db2.gz ITVGMQCDYWDAFA-KBPBESRZSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cocn2)C1 ZINC000982924574 754210783 /nfs/dbraw/zinc/21/07/83/754210783.db2.gz YWOOSCNVPXTZEW-ZFWWWQNUSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cocn2)C1 ZINC000982924574 754210788 /nfs/dbraw/zinc/21/07/88/754210788.db2.gz YWOOSCNVPXTZEW-ZFWWWQNUSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccn(C)c2)C1 ZINC000982923519 754210797 /nfs/dbraw/zinc/21/07/97/754210797.db2.gz PUXJLWYSKURGLF-WBVHZDCISA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccn(C)c2)C1 ZINC000982923519 754210802 /nfs/dbraw/zinc/21/08/02/754210802.db2.gz PUXJLWYSKURGLF-WBVHZDCISA-N 1 1 342.443 0.701 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)COc2cccc(C(N)=O)c2)CC1 ZINC000989729699 754375341 /nfs/dbraw/zinc/37/53/41/754375341.db2.gz BSQASSQYLBZOPB-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1 ZINC001008973258 754376209 /nfs/dbraw/zinc/37/62/09/754376209.db2.gz ZKFYDLQQHJBKCY-CYUUQNCZSA-N 1 1 341.415 0.272 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1Cl ZINC001105867255 762290129 /nfs/dbraw/zinc/29/01/29/762290129.db2.gz TZSJCDSHONPTAV-GFCCVEGCSA-N 1 1 348.794 0.701 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105377169 754500134 /nfs/dbraw/zinc/50/01/34/754500134.db2.gz RXVZDCDKUAWFJD-QGZVFWFLSA-N 1 1 344.463 0.649 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN(CCOC)c1nccnc1C#N ZINC001126403428 754517494 /nfs/dbraw/zinc/51/74/94/754517494.db2.gz FEBJDGXAGCSUGI-UHFFFAOYSA-N 1 1 334.424 0.259 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000983075802 754562754 /nfs/dbraw/zinc/56/27/54/754562754.db2.gz PJIPHRYGVHCVRB-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000983075802 754562759 /nfs/dbraw/zinc/56/27/59/754562759.db2.gz PJIPHRYGVHCVRB-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001105872914 762317595 /nfs/dbraw/zinc/31/75/95/762317595.db2.gz FKVUIXKOIPZHCX-ZIAGYGMSSA-N 1 1 332.408 0.112 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001105873024 762318691 /nfs/dbraw/zinc/31/86/91/762318691.db2.gz IBVGNWLVQJUCCP-OCCSQVGLSA-N 1 1 332.408 0.112 20 30 ECEDMO CCn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC001051556231 762332971 /nfs/dbraw/zinc/33/29/71/762332971.db2.gz SDTWVPMHGWSZOY-AWEZNQCLSA-N 1 1 343.391 0.129 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCN3CCNC3=O)C2)nc1 ZINC001009269282 754725584 /nfs/dbraw/zinc/72/55/84/754725584.db2.gz NQPUGFVILCPLBK-HNNXBMFYSA-N 1 1 341.415 0.282 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)nc1 ZINC001009269282 754725589 /nfs/dbraw/zinc/72/55/89/754725589.db2.gz NQPUGFVILCPLBK-HNNXBMFYSA-N 1 1 341.415 0.282 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000990124633 754747125 /nfs/dbraw/zinc/74/71/25/754747125.db2.gz PBTKPIHXXGLUKI-OJLVUWQFSA-N 1 1 346.431 0.888 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1)c1nncn1C ZINC001051555943 762331641 /nfs/dbraw/zinc/33/16/41/762331641.db2.gz QGCSGXSFSKSLIS-WCQYABFASA-N 1 1 343.391 0.207 20 30 ECEDMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1)c1ncccn1 ZINC001051556511 762332609 /nfs/dbraw/zinc/33/26/09/762332609.db2.gz WFHYDFRTKQRKPK-OCCSQVGLSA-N 1 1 340.387 0.868 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001009350653 754796755 /nfs/dbraw/zinc/79/67/55/754796755.db2.gz FZTCVMJJHSRSEJ-QGZVFWFLSA-N 1 1 327.428 0.879 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001009350653 754796757 /nfs/dbraw/zinc/79/67/57/754796757.db2.gz FZTCVMJJHSRSEJ-QGZVFWFLSA-N 1 1 327.428 0.879 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCCN(CCOC)c1cc(C)[nH+]c(C)n1 ZINC001126415061 754886723 /nfs/dbraw/zinc/88/67/23/754886723.db2.gz HSJXJZGLIFJVQF-CQSZACIVSA-N 1 1 334.420 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)cc1 ZINC001028730480 754887523 /nfs/dbraw/zinc/88/75/23/754887523.db2.gz JRDFHMVOFRJAAI-CQSZACIVSA-N 1 1 339.399 0.342 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)cc1 ZINC001028730480 754887529 /nfs/dbraw/zinc/88/75/29/754887529.db2.gz JRDFHMVOFRJAAI-CQSZACIVSA-N 1 1 339.399 0.342 20 30 ECEDMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC001051562800 762344402 /nfs/dbraw/zinc/34/44/02/762344402.db2.gz LAYCUWUCAVHXRG-ZDUSSCGKSA-N 1 1 330.348 0.209 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001028735963 754924586 /nfs/dbraw/zinc/92/45/86/754924586.db2.gz UVPKCPZTPZAOQY-ZFWWWQNUSA-N 1 1 344.390 0.772 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001059109034 755035450 /nfs/dbraw/zinc/03/54/50/755035450.db2.gz WKHMPDCDMQWJOR-VNQPRFMTSA-N 1 1 343.431 0.994 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001059109034 755035457 /nfs/dbraw/zinc/03/54/57/755035457.db2.gz WKHMPDCDMQWJOR-VNQPRFMTSA-N 1 1 343.431 0.994 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 ZINC001075948778 755045136 /nfs/dbraw/zinc/04/51/36/755045136.db2.gz IHVWXBZFWYOKSA-DGAVXFQQSA-N 1 1 346.349 0.889 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001028772639 755060065 /nfs/dbraw/zinc/06/00/65/755060065.db2.gz DWWUJIFBSNCDEN-SWLSCSKDSA-N 1 1 345.378 0.317 20 30 ECEDMO O=C(NC[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001028774462 755065159 /nfs/dbraw/zinc/06/51/59/755065159.db2.gz XDAPQDNQRQSANL-ZBFHGGJFSA-N 1 1 344.390 0.297 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(Cc3n[nH]c(C)n3)C2)CC1 ZINC001009624933 755083015 /nfs/dbraw/zinc/08/30/15/755083015.db2.gz BTQRAVZGICXKGL-INIZCTEOSA-N 1 1 344.463 0.539 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3n[nH]cc3F)C2)C1=O ZINC001028783818 755117573 /nfs/dbraw/zinc/11/75/73/755117573.db2.gz HBNWUFRJFMAEGR-YPMHNXCESA-N 1 1 335.383 0.387 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001028794720 755144225 /nfs/dbraw/zinc/14/42/25/755144225.db2.gz MGYWBMIQVPQNBI-NSHDSACASA-N 1 1 341.437 0.075 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028804549 755181526 /nfs/dbraw/zinc/18/15/26/755181526.db2.gz BLQLZJWSGUHNAP-MAZHCROVSA-N 1 1 326.400 0.618 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccnnc3)C2)C1=O ZINC001028826434 755231058 /nfs/dbraw/zinc/23/10/58/755231058.db2.gz FKYQJWVLCKGCHT-HIFRSBDPSA-N 1 1 329.404 0.315 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001028840743 755271141 /nfs/dbraw/zinc/27/11/41/755271141.db2.gz KWUGRSMMBKQMSA-ZDUSSCGKSA-N 1 1 334.420 0.102 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3ccnc3)C2)C1=O ZINC001009716486 755290516 /nfs/dbraw/zinc/29/05/16/755290516.db2.gz LNTZFXHBBZNRQM-HUUCEWRRSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ccnc3)C2)C1=O ZINC001009716486 755290518 /nfs/dbraw/zinc/29/05/18/755290518.db2.gz LNTZFXHBBZNRQM-HUUCEWRRSA-N 1 1 331.420 0.251 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083470660 755312141 /nfs/dbraw/zinc/31/21/41/755312141.db2.gz FMOSNDUGMWXAGZ-WCVJEAGWSA-N 1 1 334.420 0.026 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083470660 755312145 /nfs/dbraw/zinc/31/21/45/755312145.db2.gz FMOSNDUGMWXAGZ-WCVJEAGWSA-N 1 1 334.420 0.026 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028862699 755334556 /nfs/dbraw/zinc/33/45/56/755334556.db2.gz XEKGIRAZHCPRBJ-IPYPFGDCSA-N 1 1 349.435 0.028 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028862699 755334561 /nfs/dbraw/zinc/33/45/61/755334561.db2.gz XEKGIRAZHCPRBJ-IPYPFGDCSA-N 1 1 349.435 0.028 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3nnc[nH]3)C2)cc1C#N ZINC001028875668 755359584 /nfs/dbraw/zinc/35/95/84/755359584.db2.gz LGHLRKVKKAYTLV-CYBMUJFWSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3ncn[nH]3)C2)cc1C#N ZINC001028875668 755359590 /nfs/dbraw/zinc/35/95/90/755359590.db2.gz LGHLRKVKKAYTLV-CYBMUJFWSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3ncn[nH]3)C2)cc1C#N ZINC001028875668 755359594 /nfs/dbraw/zinc/35/95/94/755359594.db2.gz LGHLRKVKKAYTLV-CYBMUJFWSA-N 1 1 340.387 0.937 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccncn3)C2)C1=O ZINC001028879110 755372046 /nfs/dbraw/zinc/37/20/46/755372046.db2.gz FJKJVKSXQULDDL-DZGCQCFKSA-N 1 1 329.404 0.315 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ncccn3)C2)C1=O ZINC001028881901 755380268 /nfs/dbraw/zinc/38/02/68/755380268.db2.gz DYOBEAXEXNFHQY-KGLIPLIRSA-N 1 1 329.404 0.315 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001075964692 755490927 /nfs/dbraw/zinc/49/09/27/755490927.db2.gz GACSDWPIJGPRLT-BFHYXJOUSA-N 1 1 329.404 0.102 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@H]1CCC[C@@H]1CNc1cc(C)[nH+]c(C)n1 ZINC001105664982 755500311 /nfs/dbraw/zinc/50/03/11/755500311.db2.gz MBDGYNCBRSQNJG-CABCVRRESA-N 1 1 343.431 0.930 20 30 ECEDMO C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncn[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105666898 755583767 /nfs/dbraw/zinc/58/37/67/755583767.db2.gz KWYFJRKODNZPJZ-KJWYOANISA-N 1 1 347.463 0.889 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@@H](O)C1 ZINC001083477157 755605079 /nfs/dbraw/zinc/60/50/79/755605079.db2.gz CZEQTELJDSOQST-PMPSAXMXSA-N 1 1 333.436 0.527 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@@H](O)C1 ZINC001083477157 755605083 /nfs/dbraw/zinc/60/50/83/755605083.db2.gz CZEQTELJDSOQST-PMPSAXMXSA-N 1 1 333.436 0.527 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)c1 ZINC000990706634 755656085 /nfs/dbraw/zinc/65/60/85/755656085.db2.gz ACHVTSYIAQNSOK-AWEZNQCLSA-N 1 1 338.371 0.601 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@@H]12 ZINC000990711194 755705002 /nfs/dbraw/zinc/70/50/02/755705002.db2.gz LZFXZTPYVQSAFR-AUUYWEPGSA-N 1 1 345.443 0.908 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088793334 755707565 /nfs/dbraw/zinc/70/75/65/755707565.db2.gz CUGOHDPHYVSISE-WPGHFRTFSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088793334 755707570 /nfs/dbraw/zinc/70/75/70/755707570.db2.gz CUGOHDPHYVSISE-WPGHFRTFSA-N 1 1 344.390 0.912 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(NC(C)=O)cn2)[C@@H](O)C1 ZINC001083510330 755787574 /nfs/dbraw/zinc/78/75/74/755787574.db2.gz ZZUGBAKHJPCUKA-CVEARBPZSA-N 1 1 332.404 0.781 20 30 ECEDMO C#CCN1CC[C@]2(NC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC000990737014 755801464 /nfs/dbraw/zinc/80/14/64/755801464.db2.gz FVEBHKHBXFENBX-SJLPKXTDSA-N 1 1 329.448 0.805 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)[C@@H](O)C1 ZINC001083522890 755890742 /nfs/dbraw/zinc/89/07/42/755890742.db2.gz BZRLTAMSKDYGBC-CVEARBPZSA-N 1 1 325.368 0.739 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)C1=O ZINC001010266892 755909740 /nfs/dbraw/zinc/90/97/40/755909740.db2.gz HOSXDQBLANTEHV-UKRRQHHQSA-N 1 1 329.400 0.983 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)C1=O ZINC001010266892 755909745 /nfs/dbraw/zinc/90/97/45/755909745.db2.gz HOSXDQBLANTEHV-UKRRQHHQSA-N 1 1 329.400 0.983 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001083525853 755916435 /nfs/dbraw/zinc/91/64/35/755916435.db2.gz OTVUGOPCJHBAIB-KBMXLJTQSA-N 1 1 346.431 0.070 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001083525853 755916437 /nfs/dbraw/zinc/91/64/37/755916437.db2.gz OTVUGOPCJHBAIB-KBMXLJTQSA-N 1 1 346.431 0.070 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)[C@@H](O)C1 ZINC001083531499 755952426 /nfs/dbraw/zinc/95/24/26/755952426.db2.gz QQVPKJZEJZAALS-ZACQAIPSSA-N 1 1 343.427 0.641 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@@H]1O ZINC001083535594 755975293 /nfs/dbraw/zinc/97/52/93/755975293.db2.gz ZGQXVOKKAUAUJP-SQNIBIBYSA-N 1 1 342.443 0.149 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1O ZINC001083535594 755975295 /nfs/dbraw/zinc/97/52/95/755975295.db2.gz ZGQXVOKKAUAUJP-SQNIBIBYSA-N 1 1 342.443 0.149 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001076008993 755987003 /nfs/dbraw/zinc/98/70/03/755987003.db2.gz QGJBQGBMLXWDBO-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)no2)CC1 ZINC001010328630 756008927 /nfs/dbraw/zinc/00/89/27/756008927.db2.gz LYOIYBNQOPULER-AWEZNQCLSA-N 1 1 330.388 0.365 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)no2)CC1 ZINC001010328630 756008929 /nfs/dbraw/zinc/00/89/29/756008929.db2.gz LYOIYBNQOPULER-AWEZNQCLSA-N 1 1 330.388 0.365 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001105680233 756009692 /nfs/dbraw/zinc/00/96/92/756009692.db2.gz YGXBRQANEHTDKT-IYBDPMFKSA-N 1 1 349.479 0.370 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cncn3)cc2)[C@@H](O)C1 ZINC001083539076 756023878 /nfs/dbraw/zinc/02/38/78/756023878.db2.gz FUPJJWZCURLXKS-CVEARBPZSA-N 1 1 327.388 0.618 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001076074213 756059471 /nfs/dbraw/zinc/05/94/71/756059471.db2.gz QVEDMQLYYIJETE-STQMWFEESA-N 1 1 331.420 0.995 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)[C@@H]2C1 ZINC001076108353 756093858 /nfs/dbraw/zinc/09/38/58/756093858.db2.gz LBPIXTDPWUSFSZ-LSDHHAIUSA-N 1 1 339.399 0.052 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCCO1 ZINC001076165935 756160351 /nfs/dbraw/zinc/16/03/51/756160351.db2.gz UFOMSTITYPFQOJ-HRCADAONSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCCO1 ZINC001076165935 756160353 /nfs/dbraw/zinc/16/03/53/756160353.db2.gz UFOMSTITYPFQOJ-HRCADAONSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC001010533305 756214594 /nfs/dbraw/zinc/21/45/94/756214594.db2.gz QULWIQBBMIKZFP-HNNXBMFYSA-N 1 1 329.404 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC001010533305 756214599 /nfs/dbraw/zinc/21/45/99/756214599.db2.gz QULWIQBBMIKZFP-HNNXBMFYSA-N 1 1 329.404 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC001010533305 756214601 /nfs/dbraw/zinc/21/46/01/756214601.db2.gz QULWIQBBMIKZFP-HNNXBMFYSA-N 1 1 329.404 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC001010533305 756214607 /nfs/dbraw/zinc/21/46/07/756214607.db2.gz QULWIQBBMIKZFP-HNNXBMFYSA-N 1 1 329.404 0.100 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001076216978 756219663 /nfs/dbraw/zinc/21/96/63/756219663.db2.gz XOUQXHRLQUXHKN-QWHCGFSZSA-N 1 1 331.420 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccnn1CC ZINC001076265462 756302731 /nfs/dbraw/zinc/30/27/31/756302731.db2.gz YRXFNMPQSPCLIZ-GJZGRUSLSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccnn1CC ZINC001076265462 756302739 /nfs/dbraw/zinc/30/27/39/756302739.db2.gz YRXFNMPQSPCLIZ-GJZGRUSLSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc(C)s2)CC1 ZINC001010615595 756310027 /nfs/dbraw/zinc/31/00/27/756310027.db2.gz DACDRGLMDDEWGI-AWEZNQCLSA-N 1 1 346.456 0.834 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc(C)s2)CC1 ZINC001010615595 756310028 /nfs/dbraw/zinc/31/00/28/756310028.db2.gz DACDRGLMDDEWGI-AWEZNQCLSA-N 1 1 346.456 0.834 20 30 ECEDMO O=C(C#CC1CC1)N1CCO[C@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001051609636 762459522 /nfs/dbraw/zinc/45/95/22/762459522.db2.gz YDSMHOLGQOAOPD-QGZVFWFLSA-N 1 1 343.431 0.419 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001076300274 756342645 /nfs/dbraw/zinc/34/26/45/756342645.db2.gz DZIQCIXURDPIPH-WMLDXEAASA-N 1 1 341.452 0.047 20 30 ECEDMO Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010655599 756358319 /nfs/dbraw/zinc/35/83/19/756358319.db2.gz KDOZBPIBAJNWJJ-ZDUSSCGKSA-N 1 1 345.428 0.922 20 30 ECEDMO Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010655599 756358325 /nfs/dbraw/zinc/35/83/25/756358325.db2.gz KDOZBPIBAJNWJJ-ZDUSSCGKSA-N 1 1 345.428 0.922 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)[nH]1 ZINC001010658246 756360533 /nfs/dbraw/zinc/36/05/33/756360533.db2.gz QLNWEVAKGCLKSZ-WCQYABFASA-N 1 1 336.417 0.125 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)[nH]1 ZINC001010658246 756360538 /nfs/dbraw/zinc/36/05/38/756360538.db2.gz QLNWEVAKGCLKSZ-WCQYABFASA-N 1 1 336.417 0.125 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)[nH]1 ZINC001010658245 756360652 /nfs/dbraw/zinc/36/06/52/756360652.db2.gz QLNWEVAKGCLKSZ-DGCLKSJQSA-N 1 1 336.417 0.125 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)[nH]1 ZINC001010658245 756360655 /nfs/dbraw/zinc/36/06/55/756360655.db2.gz QLNWEVAKGCLKSZ-DGCLKSJQSA-N 1 1 336.417 0.125 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H](C)C#N)C2 ZINC001010666801 756370796 /nfs/dbraw/zinc/37/07/96/756370796.db2.gz JJJNNFMGHKOFHP-ZDUSSCGKSA-N 1 1 329.404 0.802 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)nn1 ZINC001076345212 756395954 /nfs/dbraw/zinc/39/59/54/756395954.db2.gz UMXCBRZIMNPHQR-KCQAQPDRSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)nn1 ZINC001076345212 756395961 /nfs/dbraw/zinc/39/59/61/756395961.db2.gz UMXCBRZIMNPHQR-KCQAQPDRSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001076350982 756402788 /nfs/dbraw/zinc/40/27/88/756402788.db2.gz OVJXABUIQQNSOU-ZNMIVQPWSA-N 1 1 341.477 0.519 20 30 ECEDMO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010698706 756414337 /nfs/dbraw/zinc/41/43/37/756414337.db2.gz QNJBJKQRRHLEKB-UKRRQHHQSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010698706 756414343 /nfs/dbraw/zinc/41/43/43/756414343.db2.gz QNJBJKQRRHLEKB-UKRRQHHQSA-N 1 1 329.404 0.700 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001010717322 756437841 /nfs/dbraw/zinc/43/78/41/756437841.db2.gz QBQYUPWZMVTKJX-RRFJBIMHSA-N 1 1 348.447 0.316 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001010717322 756437842 /nfs/dbraw/zinc/43/78/42/756437842.db2.gz QBQYUPWZMVTKJX-RRFJBIMHSA-N 1 1 348.447 0.316 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990868115 756438926 /nfs/dbraw/zinc/43/89/26/756438926.db2.gz IUVDZYMHNJCKIH-MRXNPFEDSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001010828752 756576817 /nfs/dbraw/zinc/57/68/17/756576817.db2.gz AFIFWVTYABSGLB-RBSFLKMASA-N 1 1 348.447 0.316 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001010828752 756576823 /nfs/dbraw/zinc/57/68/23/756576823.db2.gz AFIFWVTYABSGLB-RBSFLKMASA-N 1 1 348.447 0.316 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1COC(=O)N1 ZINC001010834003 756580821 /nfs/dbraw/zinc/58/08/21/756580821.db2.gz KAWGOMPRQITJRU-LSDHHAIUSA-N 1 1 347.802 0.990 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1COC(=O)N1 ZINC001010834003 756580824 /nfs/dbraw/zinc/58/08/24/756580824.db2.gz KAWGOMPRQITJRU-LSDHHAIUSA-N 1 1 347.802 0.990 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001010836252 756583373 /nfs/dbraw/zinc/58/33/73/756583373.db2.gz MDRNHLQIHJLUOB-ZDUSSCGKSA-N 1 1 329.404 0.802 20 30 ECEDMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)nn1 ZINC001010849547 756599646 /nfs/dbraw/zinc/59/96/46/756599646.db2.gz GJRVFGGTPGTGGR-AWEZNQCLSA-N 1 1 340.387 0.722 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCOC)nn2)C1 ZINC001098663609 756611607 /nfs/dbraw/zinc/61/16/07/756611607.db2.gz HMYWEGKELCZQCM-ZBFHGGJFSA-N 1 1 337.424 0.115 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCOC)nn2)C1 ZINC001098663606 756618558 /nfs/dbraw/zinc/61/85/58/756618558.db2.gz HMYWEGKELCZQCM-GDBMZVCRSA-N 1 1 337.424 0.115 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CN4CCCC4)[C@@H]3C2)C1=O ZINC001076575000 756663375 /nfs/dbraw/zinc/66/33/75/756663375.db2.gz VMLPUWIQXRMJJE-GVDBMIGSSA-N 1 1 346.475 0.402 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CN4CCCC4)[C@@H]3C2)C1=O ZINC001076575000 756663377 /nfs/dbraw/zinc/66/33/77/756663377.db2.gz VMLPUWIQXRMJJE-GVDBMIGSSA-N 1 1 346.475 0.402 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001051621065 762494158 /nfs/dbraw/zinc/49/41/58/762494158.db2.gz YRPUDWNZNCGAFS-OAGGEKHMSA-N 1 1 349.435 0.113 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@@H](O)C1 ZINC001083552506 756836232 /nfs/dbraw/zinc/83/62/32/756836232.db2.gz IAGQLJJSQDBUQA-MNOVXSKESA-N 1 1 330.310 0.846 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@@H](O)C1 ZINC001083552506 756836239 /nfs/dbraw/zinc/83/62/39/756836239.db2.gz IAGQLJJSQDBUQA-MNOVXSKESA-N 1 1 330.310 0.846 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001076711796 756902025 /nfs/dbraw/zinc/90/20/25/756902025.db2.gz NRLLFFMJNFTDJR-DZGCQCFKSA-N 1 1 348.451 0.573 20 30 ECEDMO C=CCCO[C@H](C)C(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107140437 756960847 /nfs/dbraw/zinc/96/08/47/756960847.db2.gz FCPNARDPWJHVNH-QWHCGFSZSA-N 1 1 337.424 0.113 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O)n1cccn1 ZINC001076765651 757019840 /nfs/dbraw/zinc/01/98/40/757019840.db2.gz LQUSAHZICFHVJM-KBRIMQKVSA-N 1 1 339.399 0.677 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O)n1cccn1 ZINC001076765651 757019849 /nfs/dbraw/zinc/01/98/49/757019849.db2.gz LQUSAHZICFHVJM-KBRIMQKVSA-N 1 1 339.399 0.677 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)C#CC(C)(C)C)C1 ZINC001076770559 757036578 /nfs/dbraw/zinc/03/65/78/757036578.db2.gz WQLGZFPTSJDHSV-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)C#CC(C)(C)C)C1 ZINC001076770559 757036583 /nfs/dbraw/zinc/03/65/83/757036583.db2.gz WQLGZFPTSJDHSV-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001011159572 757065607 /nfs/dbraw/zinc/06/56/07/757065607.db2.gz YIOOMGJWNOTISX-HNNXBMFYSA-N 1 1 326.400 0.299 20 30 ECEDMO COCCC[NH+]1CC(n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 ZINC001107153709 757118884 /nfs/dbraw/zinc/11/88/84/757118884.db2.gz LWRAZFKWYHADIW-UHFFFAOYSA-N 1 1 343.391 0.301 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3ccc(=O)n(C)c3=O)CCC[C@@H]12 ZINC000990975071 757142893 /nfs/dbraw/zinc/14/28/93/757142893.db2.gz SZDLVZJXYCKLSI-RDTXWAMCSA-N 1 1 346.431 0.236 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011201565 757179296 /nfs/dbraw/zinc/17/92/96/757179296.db2.gz ZUGZUGNTQBHSJS-NCOADZHNSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CCCCCC(=O)NCc1cn(C2C[NH+]([C@@H](C)COC)C2)nn1 ZINC001107162133 757189421 /nfs/dbraw/zinc/18/94/21/757189421.db2.gz GZIGPDPFJBMGJT-AWEZNQCLSA-N 1 1 333.436 0.980 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011208769 757193054 /nfs/dbraw/zinc/19/30/54/757193054.db2.gz ODCQJXLSQCZZBX-FPCVCCKLSA-N 1 1 335.448 0.589 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CCCOCC)C2)nn1 ZINC001107169345 757205710 /nfs/dbraw/zinc/20/57/10/757205710.db2.gz CWBRIEDCBGENFW-AWEZNQCLSA-N 1 1 349.435 0.216 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@H]2C1 ZINC001048860537 757207034 /nfs/dbraw/zinc/20/70/34/757207034.db2.gz YHSSJEPVPWFQIW-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001048866810 757229972 /nfs/dbraw/zinc/22/99/72/757229972.db2.gz ZLKXNGMZAWGOEX-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O ZINC001076812418 757255363 /nfs/dbraw/zinc/25/53/63/757255363.db2.gz GPGYEXNOJSYOOZ-KZNAEPCWSA-N 1 1 327.428 0.294 20 30 ECEDMO CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001048875020 757255472 /nfs/dbraw/zinc/25/54/72/757255472.db2.gz FPKOGPQZRAVLIX-IYBDPMFKSA-N 1 1 340.427 0.960 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCN(C)C3=O)nn2)C1 ZINC001107180461 757300704 /nfs/dbraw/zinc/30/07/04/757300704.db2.gz SPWGHOKCEKAMDN-ZDUSSCGKSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@]3(CC)CCNC3=O)nn2)C1 ZINC001107180510 757301627 /nfs/dbraw/zinc/30/16/27/757301627.db2.gz VTHQBMZKTPDFRN-KRWDZBQOSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000996331659 757396084 /nfs/dbraw/zinc/39/60/84/757396084.db2.gz SDPFVUSBVJYRIL-RDBSUJKOSA-N 1 1 333.436 0.733 20 30 ECEDMO Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076856058 757399332 /nfs/dbraw/zinc/39/93/32/757399332.db2.gz ZFIGDNFPLZCZKQ-ZIAGYGMSSA-N 1 1 345.428 0.669 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@H]2C1 ZINC001048926185 757431006 /nfs/dbraw/zinc/43/10/06/757431006.db2.gz CDAJWWVCSJLBSJ-OKILXGFUSA-N 1 1 332.404 0.080 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC001011314296 757488520 /nfs/dbraw/zinc/48/85/20/757488520.db2.gz UPNTZNMPFIGAGK-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC001011314296 757488529 /nfs/dbraw/zinc/48/85/29/757488529.db2.gz UPNTZNMPFIGAGK-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001011314300 757488605 /nfs/dbraw/zinc/48/86/05/757488605.db2.gz UYGWLIRBPZGBHJ-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001011314300 757488610 /nfs/dbraw/zinc/48/86/10/757488610.db2.gz UYGWLIRBPZGBHJ-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccn(C)c2C)CC1 ZINC001011314798 757489592 /nfs/dbraw/zinc/48/95/92/757489592.db2.gz LJIBMHQMMQDWQS-KRWDZBQOSA-N 1 1 342.443 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccn(C)c2C)CC1 ZINC001011314798 757489596 /nfs/dbraw/zinc/48/95/96/757489596.db2.gz LJIBMHQMMQDWQS-KRWDZBQOSA-N 1 1 342.443 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2ccon2)CC1 ZINC001011314769 757489781 /nfs/dbraw/zinc/48/97/81/757489781.db2.gz JTXYBYFEYHLING-INIZCTEOSA-N 1 1 344.415 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2ccon2)CC1 ZINC001011314769 757489785 /nfs/dbraw/zinc/48/97/85/757489785.db2.gz JTXYBYFEYHLING-INIZCTEOSA-N 1 1 344.415 0.376 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nncs3)C(C)(C)C2)nn1 ZINC000996391535 757525896 /nfs/dbraw/zinc/52/58/96/757525896.db2.gz YUTFPRVDFJRRMY-GFCCVEGCSA-N 1 1 347.448 0.956 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]2C1 ZINC001048968312 757543472 /nfs/dbraw/zinc/54/34/72/757543472.db2.gz XVBCOHMELMTVLW-OKILXGFUSA-N 1 1 344.415 0.542 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001011405043 757639927 /nfs/dbraw/zinc/63/99/27/757639927.db2.gz HRDIMUORYNUZOC-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021634252 757716022 /nfs/dbraw/zinc/71/60/22/757716022.db2.gz XWMWIQJTVAHKBE-CVEARBPZSA-N 1 1 345.447 0.308 20 30 ECEDMO C=CCN1CC(n2cc(CNC(=O)C[N@@H+]3CCC(C)(C)C3)nn2)C1 ZINC001107212232 757745531 /nfs/dbraw/zinc/74/55/31/757745531.db2.gz VLUZFEMVVVYUNC-UHFFFAOYSA-N 1 1 332.452 0.669 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C4(CF)CC4)C[C@H]3C2)C1=O ZINC001049049202 757779112 /nfs/dbraw/zinc/77/91/12/757779112.db2.gz VFLCBNDIGDFYHT-QLFBSQMISA-N 1 1 335.423 0.913 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2nnnc2C(C)C)C1 ZINC001021686973 757780634 /nfs/dbraw/zinc/78/06/34/757780634.db2.gz CUWZTJVZFVCLJY-LSDHHAIUSA-N 1 1 330.436 0.743 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001021688153 757784555 /nfs/dbraw/zinc/78/45/55/757784555.db2.gz LPDKBGHQRZPCHB-GJZGRUSLSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2nc(C)ccc2=O)C1 ZINC001021718686 757859219 /nfs/dbraw/zinc/85/92/19/757859219.db2.gz ILIAYXQSFPECKA-DLBZAZTESA-N 1 1 342.443 0.888 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001021728754 757869432 /nfs/dbraw/zinc/86/94/32/757869432.db2.gz VRVMJQBAXQAJCN-KBPBESRZSA-N 1 1 346.431 0.263 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001021728924 757870744 /nfs/dbraw/zinc/87/07/44/757870744.db2.gz WPDNTPNVWZYQLB-UONOGXRCSA-N 1 1 348.447 0.816 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021733614 757880389 /nfs/dbraw/zinc/88/03/89/757880389.db2.gz PTIPTWFWSIRZNZ-ZFWWWQNUSA-N 1 1 344.415 0.436 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CC[C@@H](C)O4)C[C@H]3C2)C1=O ZINC001049072657 757881021 /nfs/dbraw/zinc/88/10/21/757881021.db2.gz JUECCVWUSBDXCL-NQNKBUKLSA-N 1 1 347.459 0.731 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021742442 757891486 /nfs/dbraw/zinc/89/14/86/757891486.db2.gz LFPPHACEJDXMDF-HIFRSBDPSA-N 1 1 346.435 0.266 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001076996929 757898888 /nfs/dbraw/zinc/89/88/88/757898888.db2.gz UXRXYZHYDYATJL-APHBMKBZSA-N 1 1 336.436 0.750 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001076996929 757898893 /nfs/dbraw/zinc/89/88/93/757898893.db2.gz UXRXYZHYDYATJL-APHBMKBZSA-N 1 1 336.436 0.750 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001076996818 757899297 /nfs/dbraw/zinc/89/92/97/757899297.db2.gz PHIJIYQTPUAVAI-NUEKZKHPSA-N 1 1 334.420 0.504 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001076996818 757899304 /nfs/dbraw/zinc/89/93/04/757899304.db2.gz PHIJIYQTPUAVAI-NUEKZKHPSA-N 1 1 334.420 0.504 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3cnn(C)n3)C(C)(C)C2)cn1 ZINC000996531195 757902922 /nfs/dbraw/zinc/90/29/22/757902922.db2.gz BJPVYFFROBSGNO-INIZCTEOSA-N 1 1 338.415 0.832 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@H]2C1 ZINC001049104096 757967664 /nfs/dbraw/zinc/96/76/64/757967664.db2.gz LBIHQWKCCDEJPJ-PHIMTYICSA-N 1 1 341.337 0.861 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001049111178 757986386 /nfs/dbraw/zinc/98/63/86/757986386.db2.gz GTFZQJDOGSWMNM-PMPSAXMXSA-N 1 1 335.448 0.018 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001049111860 757989205 /nfs/dbraw/zinc/98/92/05/757989205.db2.gz VJZBDDQILSKKFN-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+]([C@@H](C)COC)C2)nn1 ZINC001107240728 758040911 /nfs/dbraw/zinc/04/09/11/758040911.db2.gz GTGVJNWXHKDEEL-STQMWFEESA-N 1 1 337.424 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2(C3CC3)CCC2)C1 ZINC000996561392 758049830 /nfs/dbraw/zinc/04/98/30/758049830.db2.gz ZLMLUWLGYHQDDR-INIZCTEOSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2(C3CC3)CCC2)C1 ZINC000996561392 758049841 /nfs/dbraw/zinc/04/98/41/758049841.db2.gz ZLMLUWLGYHQDDR-INIZCTEOSA-N 1 1 329.444 0.991 20 30 ECEDMO N#Cc1cnccc1NC/C=C/CNC(=O)CC[NH+]1CCOCC1 ZINC001107253871 758052757 /nfs/dbraw/zinc/05/27/57/758052757.db2.gz KDSFKIMXEDFFNK-OWOJBTEDSA-N 1 1 329.404 0.182 20 30 ECEDMO C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001077066547 758079923 /nfs/dbraw/zinc/07/99/23/758079923.db2.gz RRODHOXZRAWDOU-GJZGRUSLSA-N 1 1 341.452 0.311 20 30 ECEDMO CC(F)(F)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107259370 758082596 /nfs/dbraw/zinc/08/25/96/758082596.db2.gz CLJCSDBNCPEMHU-IAQYHMDHSA-N 1 1 328.363 0.642 20 30 ECEDMO COCCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001021941072 758087475 /nfs/dbraw/zinc/08/74/75/758087475.db2.gz ITWHZMFAEAVSIL-TXEJJXNPSA-N 1 1 344.375 0.509 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC001011626242 758161560 /nfs/dbraw/zinc/16/15/60/758161560.db2.gz RIYTVDMSRGZFAF-GXTWGEPZSA-N 1 1 340.387 0.811 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2NC(C)=O)C1 ZINC001077105816 758178124 /nfs/dbraw/zinc/17/81/24/758178124.db2.gz LPRXXTXVQKFPSR-HUUCEWRRSA-N 1 1 332.404 0.781 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@H]2C1 ZINC001049161956 758180171 /nfs/dbraw/zinc/18/01/71/758180171.db2.gz NJZTWLKMTKBGTM-HRCADAONSA-N 1 1 338.473 0.615 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@H]2C1 ZINC001049161956 758180176 /nfs/dbraw/zinc/18/01/76/758180176.db2.gz NJZTWLKMTKBGTM-HRCADAONSA-N 1 1 338.473 0.615 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001049162360 758181847 /nfs/dbraw/zinc/18/18/47/758181847.db2.gz QOHCOSGICYXTHV-MELADBBJSA-N 1 1 344.415 0.524 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)COCC3CC3)CCC[C@@H]12 ZINC001107299030 758198486 /nfs/dbraw/zinc/19/84/86/758198486.db2.gz CSZVLVYYRYBHMJ-VQIMIIECSA-N 1 1 347.459 0.523 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001011646888 758205512 /nfs/dbraw/zinc/20/55/12/758205512.db2.gz BEUMNOMYUXPPCQ-MRXNPFEDSA-N 1 1 340.427 0.689 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001011647708 758206319 /nfs/dbraw/zinc/20/63/19/758206319.db2.gz JOLGBNUDRPTTPE-OAGGEKHMSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1O ZINC001049176299 758228009 /nfs/dbraw/zinc/22/80/09/758228009.db2.gz MOKJVMSOVHMUNK-KKUMJFAQSA-N 1 1 337.464 0.713 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cn(C)nn4)C[C@@H]3C2)nc1 ZINC001049177537 758231549 /nfs/dbraw/zinc/23/15/49/758231549.db2.gz DVUWYKZVRHJRJQ-GASCZTMLSA-N 1 1 336.399 0.395 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cn(C)nn4)C[C@@H]3C2)nc1 ZINC001049177537 758231558 /nfs/dbraw/zinc/23/15/58/758231558.db2.gz DVUWYKZVRHJRJQ-GASCZTMLSA-N 1 1 336.399 0.395 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C)OCC1CC1 ZINC001077123733 758249789 /nfs/dbraw/zinc/24/97/89/758249789.db2.gz ANXOWGGTEFNHFY-ZOBUZTSGSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C)OCC1CC1 ZINC001077123733 758249797 /nfs/dbraw/zinc/24/97/97/758249797.db2.gz ANXOWGGTEFNHFY-ZOBUZTSGSA-N 1 1 349.475 0.910 20 30 ECEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001111648507 758251723 /nfs/dbraw/zinc/25/17/23/758251723.db2.gz BIFHYTBSLQDYEJ-GUYCJALGSA-N 1 1 334.420 0.475 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cn(C)nn1)CC2 ZINC001107330806 758272592 /nfs/dbraw/zinc/27/25/92/758272592.db2.gz OUILVTCIUHRDAK-NVXWUHKLSA-N 1 1 333.436 0.879 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cn(C)nn1)CC2 ZINC001107330806 758272599 /nfs/dbraw/zinc/27/25/99/758272599.db2.gz OUILVTCIUHRDAK-NVXWUHKLSA-N 1 1 333.436 0.879 20 30 ECEDMO CCC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107331834 758275004 /nfs/dbraw/zinc/27/50/04/758275004.db2.gz OKLWQUQIESKDLZ-CRAIPNDOSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@H]2C1 ZINC001049207802 758309869 /nfs/dbraw/zinc/30/98/69/758309869.db2.gz UKIKVNYMDHSSHI-CALCHBBNSA-N 1 1 340.427 0.882 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001077154138 758365621 /nfs/dbraw/zinc/36/56/21/758365621.db2.gz FNKRHOQOXATKEF-IAGOWNOFSA-N 1 1 343.427 0.851 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001022174159 758376278 /nfs/dbraw/zinc/37/62/78/758376278.db2.gz ZMBHHLCGGXLWCD-JKSUJKDBSA-N 1 1 326.400 0.664 20 30 ECEDMO N#Cc1nccc(NC/C=C\CNC(=O)[C@@H]2CCCc3[nH+]ccn32)n1 ZINC001107380684 758423620 /nfs/dbraw/zinc/42/36/20/758423620.db2.gz ZLANSRFJHXKOBE-FYDYADQUSA-N 1 1 337.387 0.629 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3c(OC)ncnc3OC)C[C@H]2C1 ZINC001049247240 758427961 /nfs/dbraw/zinc/42/79/61/758427961.db2.gz FXXVFYKPZATMSB-BETUJISGSA-N 1 1 330.388 0.521 20 30 ECEDMO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107384071 758430925 /nfs/dbraw/zinc/43/09/25/758430925.db2.gz NLIVJXNFFSTWHD-CXAGYDPISA-N 1 1 334.420 0.346 20 30 ECEDMO COC[C@H](C)[NH+]1CC(OC2CCN(C(=O)CSCC#N)CC2)C1 ZINC001105690909 758434470 /nfs/dbraw/zinc/43/44/70/758434470.db2.gz CFNSKNQCUGKCCI-ZDUSSCGKSA-N 1 1 341.477 0.970 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC/C=C\CNc2ccc(C#N)nn2)no1 ZINC001107403287 758477000 /nfs/dbraw/zinc/47/70/00/758477000.db2.gz VBDFDDIJJIQHEO-ARJAWSKDSA-N 1 1 341.375 0.796 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)cc1 ZINC001077200484 758510520 /nfs/dbraw/zinc/51/05/20/758510520.db2.gz SXFPJJPQQGUWQN-HUUCEWRRSA-N 1 1 339.355 0.029 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)cc1 ZINC001077200484 758510526 /nfs/dbraw/zinc/51/05/26/758510526.db2.gz SXFPJJPQQGUWQN-HUUCEWRRSA-N 1 1 339.355 0.029 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc[nH]c3)CCC[C@@H]12 ZINC001107415148 758531087 /nfs/dbraw/zinc/53/10/87/758531087.db2.gz YWURUXNGDSHLCS-RHSMWYFYSA-N 1 1 329.404 0.629 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)Cn3ccc(=O)n(C)c3=O)CCC[C@@H]12 ZINC001107426229 758535489 /nfs/dbraw/zinc/53/54/89/758535489.db2.gz KDEJKYSEEZAXFX-RDTXWAMCSA-N 1 1 346.431 0.094 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)N(C)C)CCC[C@@H]12 ZINC001107436354 758561830 /nfs/dbraw/zinc/56/18/30/758561830.db2.gz WOZUDOZJGVOZQJ-YQVWRLOYSA-N 1 1 343.475 0.807 20 30 ECEDMO C#CCNC(=O)CN1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450730 758597213 /nfs/dbraw/zinc/59/72/13/758597213.db2.gz LUMCGTMGJNYDFB-GPMSIDNRSA-N 1 1 348.491 0.437 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSCC#N ZINC001077253674 758604363 /nfs/dbraw/zinc/60/43/63/758604363.db2.gz UHXHHEBZJQJXCD-QWHCGFSZSA-N 1 1 326.466 0.738 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(c4nccnc4C#N)C[C@H]3C2)C1 ZINC001049383896 758607244 /nfs/dbraw/zinc/60/72/44/758607244.db2.gz GMJXDWBDJGCYMM-ILXRZTDVSA-N 1 1 340.431 0.585 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12 ZINC001107465160 758619950 /nfs/dbraw/zinc/61/99/50/758619950.db2.gz OHDHJYATNIGSQK-CXAGYDPISA-N 1 1 332.404 0.496 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC001011805765 758629320 /nfs/dbraw/zinc/62/93/20/758629320.db2.gz QCPORGRWDCWGLK-RHSMWYFYSA-N 1 1 340.427 0.545 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CN3CCCNC3=O)CCC[C@@H]12 ZINC001107463775 758644413 /nfs/dbraw/zinc/64/44/13/758644413.db2.gz CNUZYTRKGSJLQG-CRAIPNDOSA-N 1 1 332.448 0.786 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049426859 758671345 /nfs/dbraw/zinc/67/13/45/758671345.db2.gz ASUMSRGUHQAWQL-RYUDHWBXSA-N 1 1 325.800 0.802 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049426859 758671349 /nfs/dbraw/zinc/67/13/49/758671349.db2.gz ASUMSRGUHQAWQL-RYUDHWBXSA-N 1 1 325.800 0.802 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCn2cncn2)c[nH]1 ZINC001049431060 758682820 /nfs/dbraw/zinc/68/28/20/758682820.db2.gz LNIJDQXBUSUVEU-HOTGVXAUSA-N 1 1 339.403 0.857 20 30 ECEDMO C=CCCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2O)CC1 ZINC001049440310 758700370 /nfs/dbraw/zinc/70/03/70/758700370.db2.gz BARYINTZFZCFSY-JYJNAYRXSA-N 1 1 349.475 0.857 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001077302762 758754476 /nfs/dbraw/zinc/75/44/76/758754476.db2.gz HIKANDUFTMDKGH-ZIAGYGMSSA-N 1 1 330.388 0.317 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC(=O)N3C)CCC[C@@H]12 ZINC001107500803 758771528 /nfs/dbraw/zinc/77/15/28/758771528.db2.gz SZOYZIGXJSPFEJ-FRQCXROJSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001077317315 758780541 /nfs/dbraw/zinc/78/05/41/758780541.db2.gz LLKDDUWHQYDANO-GDBMZVCRSA-N 1 1 329.400 0.557 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001049476664 758782636 /nfs/dbraw/zinc/78/26/36/758782636.db2.gz YYBSEFHXOZUZBT-GJZGRUSLSA-N 1 1 345.443 0.860 20 30 ECEDMO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001049484084 758794307 /nfs/dbraw/zinc/79/43/07/758794307.db2.gz DPVKTHSZCLJJOO-IAGOWNOFSA-N 1 1 329.448 0.757 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1nc(Cl)c(C#N)s1 ZINC001105910006 762661203 /nfs/dbraw/zinc/66/12/03/762661203.db2.gz PQLPCSNNJVKXKP-SECBINFHSA-N 1 1 345.856 0.899 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)n(C)c1=O ZINC001049507405 758823528 /nfs/dbraw/zinc/82/35/28/758823528.db2.gz IFYQPILRGXOOKF-GJZGRUSLSA-N 1 1 346.431 0.188 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049507905 758825387 /nfs/dbraw/zinc/82/53/87/758825387.db2.gz NFWCJGPQHZKKLO-CABCVRRESA-N 1 1 341.477 0.663 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001049557290 758918848 /nfs/dbraw/zinc/91/88/48/758918848.db2.gz FUCZTZVOOMOGEF-STQMWFEESA-N 1 1 337.401 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nc(OC)cc(OC)n1 ZINC001049557910 758919986 /nfs/dbraw/zinc/91/99/86/758919986.db2.gz LMUGILKTUWMEOZ-CHWSQXEVSA-N 1 1 330.388 0.806 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001049559525 758921246 /nfs/dbraw/zinc/92/12/46/758921246.db2.gz XKOYDLBDPDDMCH-MELADBBJSA-N 1 1 329.404 0.245 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001049560101 758922849 /nfs/dbraw/zinc/92/28/49/758922849.db2.gz ZUYKUHWMJSJRIG-MELADBBJSA-N 1 1 331.420 0.797 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCS(=O)(=O)C3)CCC[C@H]12 ZINC000991679327 762670972 /nfs/dbraw/zinc/67/09/72/762670972.db2.gz KWRATXOOJCTCHV-YQQAZPJKSA-N 1 1 338.473 0.948 20 30 ECEDMO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001049611312 758992579 /nfs/dbraw/zinc/99/25/79/758992579.db2.gz OMSKXWQVTXUGDP-RVKOJVRFSA-N 1 1 329.444 0.548 20 30 ECEDMO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049611312 758992583 /nfs/dbraw/zinc/99/25/83/758992583.db2.gz OMSKXWQVTXUGDP-RVKOJVRFSA-N 1 1 329.444 0.548 20 30 ECEDMO N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049613539 758994306 /nfs/dbraw/zinc/99/43/06/758994306.db2.gz XOILOFGWUGMIHS-YLADIXGZSA-N 1 1 330.432 0.438 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001049616334 758998586 /nfs/dbraw/zinc/99/85/86/758998586.db2.gz TXUZLLFMXFURIR-CVEARBPZSA-N 1 1 337.387 0.369 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001049732491 759144627 /nfs/dbraw/zinc/14/46/27/759144627.db2.gz NOEMBQBXBCFXNS-UGUYLWEFSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)c(C(N)=O)cn1 ZINC001049732130 759144735 /nfs/dbraw/zinc/14/47/35/759144735.db2.gz KLLHUFRISFVUCO-HZPDHXFCSA-N 1 1 326.400 0.801 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001049738068 759152470 /nfs/dbraw/zinc/15/24/70/759152470.db2.gz HPWZKCNYKTZCTG-ARFHVFGLSA-N 1 1 342.447 0.714 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049779594 759195217 /nfs/dbraw/zinc/19/52/17/759195217.db2.gz VJIDXTPHZMCBIE-HPGRBHQUSA-N 1 1 346.431 0.616 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001049783048 759200602 /nfs/dbraw/zinc/20/06/02/759200602.db2.gz TYPRQPNHJZCWKF-RBSFLKMASA-N 1 1 341.477 0.662 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049788539 759209773 /nfs/dbraw/zinc/20/97/73/759209773.db2.gz NXRPNCMQDAMIJB-CABCVRRESA-N 1 1 344.415 0.015 20 30 ECEDMO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ncn[nH]3)C2)cc1C#N ZINC001022868958 759219708 /nfs/dbraw/zinc/21/97/08/759219708.db2.gz FFIWXWKVHTXQTI-BETUJISGSA-N 1 1 326.360 0.736 20 30 ECEDMO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)cc1C#N ZINC001022868958 759219713 /nfs/dbraw/zinc/21/97/13/759219713.db2.gz FFIWXWKVHTXQTI-BETUJISGSA-N 1 1 326.360 0.736 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049839572 759277853 /nfs/dbraw/zinc/27/78/53/759277853.db2.gz IVSLEBKNGAPXGW-NEPJUHHUSA-N 1 1 346.387 0.599 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049871777 759325298 /nfs/dbraw/zinc/32/52/98/759325298.db2.gz NWYWQPUSKSGPQI-UONOGXRCSA-N 1 1 348.447 0.958 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049873381 759327909 /nfs/dbraw/zinc/32/79/09/759327909.db2.gz WWKVHYMIPRYESL-KBPBESRZSA-N 1 1 346.431 0.405 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001047629598 759340102 /nfs/dbraw/zinc/34/01/02/759340102.db2.gz MYELENSVXWQPRF-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001047629598 759340114 /nfs/dbraw/zinc/34/01/14/759340114.db2.gz MYELENSVXWQPRF-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001047633642 759356242 /nfs/dbraw/zinc/35/62/42/759356242.db2.gz FSLCAAAWXDGFRB-HRCADAONSA-N 1 1 332.375 0.656 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001047633642 759356254 /nfs/dbraw/zinc/35/62/54/759356254.db2.gz FSLCAAAWXDGFRB-HRCADAONSA-N 1 1 332.375 0.656 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047636998 759367337 /nfs/dbraw/zinc/36/73/37/759367337.db2.gz SXHGGANOEMNSEP-ULQDDVLXSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CN(CC=C(C)C)C[C@@H]2O)CC1 ZINC001047638337 759374230 /nfs/dbraw/zinc/37/42/30/759374230.db2.gz NKFYFKOWDYLOIC-ROUUACIJSA-N 1 1 333.476 0.801 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001049898337 759374412 /nfs/dbraw/zinc/37/44/12/759374412.db2.gz ARSSLJRTYIRFBY-RRFJBIMHSA-N 1 1 341.477 0.710 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047638867 759376468 /nfs/dbraw/zinc/37/64/68/759376468.db2.gz JTWKJSBENAARLW-PMPSAXMXSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047638867 759376479 /nfs/dbraw/zinc/37/64/79/759376479.db2.gz JTWKJSBENAARLW-PMPSAXMXSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)COc1ccc(C(N)=O)cc1 ZINC001049898376 759376529 /nfs/dbraw/zinc/37/65/29/759376529.db2.gz BDXMNJRWJRYYRT-IAGOWNOFSA-N 1 1 341.411 0.863 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC001047639368 759380604 /nfs/dbraw/zinc/38/06/04/759380604.db2.gz UAYHRZYXVPQYBX-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001047640043 759381510 /nfs/dbraw/zinc/38/15/10/759381510.db2.gz GIMMKDQXHVLVOZ-HOTGVXAUSA-N 1 1 341.415 0.417 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001054241904 767855727 /nfs/dbraw/zinc/85/57/27/767855727.db2.gz ADTXGZKEDRZWRR-SJLPKXTDSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001049919234 759402286 /nfs/dbraw/zinc/40/22/86/759402286.db2.gz OCIQOHQUSJBRDV-HUUCEWRRSA-N 1 1 346.435 0.231 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C(N)=O)nc1 ZINC001049926570 759411024 /nfs/dbraw/zinc/41/10/24/759411024.db2.gz CLBDIALOLYYDHC-HZPDHXFCSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc3nsnc32)C1 ZINC001047657724 759418586 /nfs/dbraw/zinc/41/85/86/759418586.db2.gz JBAHTACKYWSOIY-KBPBESRZSA-N 1 1 330.413 0.371 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc3nsnc32)C1 ZINC001047657724 759418594 /nfs/dbraw/zinc/41/85/94/759418594.db2.gz JBAHTACKYWSOIY-KBPBESRZSA-N 1 1 330.413 0.371 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001054243082 767858876 /nfs/dbraw/zinc/85/88/76/767858876.db2.gz WNDOWLHLUTUULQ-GOEBONIOSA-N 1 1 339.461 0.016 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C)c(=O)n1C)C2 ZINC001054246272 767863214 /nfs/dbraw/zinc/86/32/14/767863214.db2.gz TWRBZEKFBCXYBB-SFHVURJKSA-N 1 1 330.432 0.675 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@@H](C)CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001077429712 759492561 /nfs/dbraw/zinc/49/25/61/759492561.db2.gz FTNSDADEWFHINW-STQMWFEESA-N 1 1 331.420 0.933 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001050024481 759563332 /nfs/dbraw/zinc/56/33/32/759563332.db2.gz HNOFWYQASYTDLA-TYNCELHUSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@@H]4CCCO4)[C@@H]3C2)C1=O ZINC001050025640 759564413 /nfs/dbraw/zinc/56/44/13/759564413.db2.gz DWCAHCRQAKHWGA-NXOAAHMSSA-N 1 1 347.459 0.875 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001050049524 759617149 /nfs/dbraw/zinc/61/71/49/759617149.db2.gz KUIHAKSBOMDBAR-HZMVEIRTSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCCS3(=O)=O)[C@@H]2C1 ZINC001050066224 759645963 /nfs/dbraw/zinc/64/59/63/759645963.db2.gz GDVJNJMEPNIJBK-ARFHVFGLSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCCS3(=O)=O)[C@@H]2C1 ZINC001050066224 759645966 /nfs/dbraw/zinc/64/59/66/759645966.db2.gz GDVJNJMEPNIJBK-ARFHVFGLSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(OC2C[NH+]([C@H](C)COC)C2)CC1 ZINC001105708774 759658548 /nfs/dbraw/zinc/65/85/48/759658548.db2.gz YVQRTIFUYMZNLE-HUUCEWRRSA-N 1 1 338.448 0.751 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(=O)c(OC)c[nH]3)[C@@H]2C1 ZINC001050095344 759692047 /nfs/dbraw/zinc/69/20/47/759692047.db2.gz KZYJHQWIPIGRQC-DZGCQCFKSA-N 1 1 329.400 0.943 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001050095839 759693041 /nfs/dbraw/zinc/69/30/41/759693041.db2.gz AQOKBAANAHRFPB-JJXSEGSLSA-N 1 1 335.448 0.908 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cncc(-n4ccnn4)c3)[C@@H]2C1 ZINC001050102150 759704069 /nfs/dbraw/zinc/70/40/69/759704069.db2.gz MHHWSWQTXHDCGP-WMLDXEAASA-N 1 1 336.399 0.832 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccoc3CC(N)=O)[C@@H]2C1 ZINC001050125546 759759320 /nfs/dbraw/zinc/75/93/20/759759320.db2.gz DBZFMNWUXXLCOI-DZGCQCFKSA-N 1 1 329.400 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@]3(CCN(C(=O)C(F)F)C3)C2)C1=O ZINC001040981472 759771043 /nfs/dbraw/zinc/77/10/43/759771043.db2.gz QAVUUANOVXXFIS-WBMJQRKESA-N 1 1 327.375 0.963 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)c(F)c1 ZINC001050130991 759771762 /nfs/dbraw/zinc/77/17/62/759771762.db2.gz KPWDFAZNMWSOKV-DZGCQCFKSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)c(F)c1 ZINC001050130991 759771771 /nfs/dbraw/zinc/77/17/71/759771771.db2.gz KPWDFAZNMWSOKV-DZGCQCFKSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1cc(C[N@H+]2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)ccc1F ZINC001050131969 759773410 /nfs/dbraw/zinc/77/34/10/759773410.db2.gz YJFTYCGBKRNBRB-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)ccc1F ZINC001050131969 759773412 /nfs/dbraw/zinc/77/34/12/759773412.db2.gz YJFTYCGBKRNBRB-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001017357277 767891290 /nfs/dbraw/zinc/89/12/90/767891290.db2.gz VAYBPFUSSWJYHS-INIZCTEOSA-N 1 1 331.416 0.005 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001017357277 767891297 /nfs/dbraw/zinc/89/12/97/767891297.db2.gz VAYBPFUSSWJYHS-INIZCTEOSA-N 1 1 331.416 0.005 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)F)C2 ZINC000995567236 759802807 /nfs/dbraw/zinc/80/28/07/759802807.db2.gz JTGYXAGTCSJKSX-VOAKCMCISA-N 1 1 325.359 0.597 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)F)C2 ZINC000995567236 759802818 /nfs/dbraw/zinc/80/28/18/759802818.db2.gz JTGYXAGTCSJKSX-VOAKCMCISA-N 1 1 325.359 0.597 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnc(Cl)n2C)C1 ZINC000995583848 759812654 /nfs/dbraw/zinc/81/26/54/759812654.db2.gz FLWFMBIVCUYKFY-LBPRGKRZSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnc(Cl)n2C)C1 ZINC000995583848 759812665 /nfs/dbraw/zinc/81/26/65/759812665.db2.gz FLWFMBIVCUYKFY-LBPRGKRZSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001050176044 759868600 /nfs/dbraw/zinc/86/86/00/759868600.db2.gz LNKZMILDOMVIMT-YQQAZPJKSA-N 1 1 343.431 0.484 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ncc(C#N)cc2F)C1 ZINC001107093917 759898461 /nfs/dbraw/zinc/89/84/61/759898461.db2.gz OMQCSJQPLYSNMS-PYLYLYNFSA-N 1 1 333.367 0.507 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ncc(C#N)cc2F)C1 ZINC001107093917 759898472 /nfs/dbraw/zinc/89/84/72/759898472.db2.gz OMQCSJQPLYSNMS-PYLYLYNFSA-N 1 1 333.367 0.507 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050191034 759904383 /nfs/dbraw/zinc/90/43/83/759904383.db2.gz CBHPHUVLPYVFRI-LZWOXQAQSA-N 1 1 341.477 0.567 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)COc3cccc(C(N)=O)c3)[C@@H]2C1 ZINC001050207105 759941214 /nfs/dbraw/zinc/94/12/14/759941214.db2.gz DGLGSHCSTQKCOP-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=C)C)nn2)C1 ZINC001098672839 760027159 /nfs/dbraw/zinc/02/71/59/760027159.db2.gz JMJSXGBKKZYYNO-GOEBONIOSA-N 1 1 331.420 0.756 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CCOCC2)C1=O ZINC001032246425 760030774 /nfs/dbraw/zinc/03/07/74/760030774.db2.gz XCXCNEVNJMMTBJ-HRCADAONSA-N 1 1 333.432 0.485 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CCOCC2)C1=O ZINC001032246425 760030783 /nfs/dbraw/zinc/03/07/83/760030783.db2.gz XCXCNEVNJMMTBJ-HRCADAONSA-N 1 1 333.432 0.485 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(C)c2C)C1=O ZINC001032280446 760491397 /nfs/dbraw/zinc/49/13/97/760491397.db2.gz HYVOIFJWEQKNGT-OFQRWUPVSA-N 1 1 343.431 0.414 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(C)c2C)C1=O ZINC001032280446 760491401 /nfs/dbraw/zinc/49/14/01/760491401.db2.gz HYVOIFJWEQKNGT-OFQRWUPVSA-N 1 1 343.431 0.414 20 30 ECEDMO N#CCN1CCC2(CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001050598385 760551101 /nfs/dbraw/zinc/55/11/01/760551101.db2.gz DXFDZYLMBHHNDU-SWKXRBFHSA-N 1 1 330.432 0.298 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2csc(-c3ncc[nH]3)n2)[C@@H](O)C1 ZINC001083654096 760610830 /nfs/dbraw/zinc/61/08/30/760610830.db2.gz WOYKZHXDLKDEBB-PWSUYJOCSA-N 1 1 331.401 0.331 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2csc(-c3ncc[nH]3)n2)[C@@H](O)C1 ZINC001083654096 760610835 /nfs/dbraw/zinc/61/08/35/760610835.db2.gz WOYKZHXDLKDEBB-PWSUYJOCSA-N 1 1 331.401 0.331 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001030024740 760630122 /nfs/dbraw/zinc/63/01/22/760630122.db2.gz RTRKAYUQQFFAPO-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001030024740 760630125 /nfs/dbraw/zinc/63/01/25/760630125.db2.gz RTRKAYUQQFFAPO-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050680428 760659671 /nfs/dbraw/zinc/65/96/71/760659671.db2.gz RZTFVMIERSPOEJ-GOEBONIOSA-N 1 1 328.416 0.958 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)C2 ZINC001048546017 760693228 /nfs/dbraw/zinc/69/32/28/760693228.db2.gz VREKCZUTYIHLLN-JONQDZQNSA-N 1 1 332.448 0.770 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cnc3c(c1)nnn3C)C2 ZINC001048545518 760693484 /nfs/dbraw/zinc/69/34/84/760693484.db2.gz ASCBPBDKEWEZOT-YOWGUQMCSA-N 1 1 338.415 0.969 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001048563560 760724769 /nfs/dbraw/zinc/72/47/69/760724769.db2.gz FXUDJLSKTXSHAV-JKJDWNRSSA-N 1 1 335.448 0.683 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001048588906 760762829 /nfs/dbraw/zinc/76/28/29/760762829.db2.gz SHKPXQQWTIRTAI-XGUBFFRZSA-N 1 1 339.461 0.061 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC2CC2)C1 ZINC001048601606 760778977 /nfs/dbraw/zinc/77/89/77/760778977.db2.gz UMXNXRUOTCFGDN-ULQDDVLXSA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC2CC2)C1 ZINC001048601606 760778984 /nfs/dbraw/zinc/77/89/84/760778984.db2.gz UMXNXRUOTCFGDN-ULQDDVLXSA-N 1 1 347.459 0.304 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C4=COCCO4)C[C@H]3C2)C1=O ZINC001048661269 760879467 /nfs/dbraw/zinc/87/94/67/760879467.db2.gz KLXZBERLEQGLDN-ZNMIVQPWSA-N 1 1 347.415 0.052 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4cccn4)C[C@H]3C2)C1=O ZINC001048682223 760927032 /nfs/dbraw/zinc/92/70/32/760927032.db2.gz UCHFFWZLGQCGAP-OWCLPIDISA-N 1 1 343.431 0.060 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3coc(S(N)(=O)=O)c3)CCC[C@H]12 ZINC000991444975 760974247 /nfs/dbraw/zinc/97/42/47/760974247.db2.gz HFVMFNSMEJKQLK-SWLSCSKDSA-N 1 1 339.417 0.840 20 30 ECEDMO C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048728037 761055631 /nfs/dbraw/zinc/05/56/31/761055631.db2.gz RVCDFLYIKAEMBR-RFQIPJPRSA-N 1 1 342.403 0.353 20 30 ECEDMO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048728037 761055635 /nfs/dbraw/zinc/05/56/35/761055635.db2.gz RVCDFLYIKAEMBR-RFQIPJPRSA-N 1 1 342.403 0.353 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)C1=O ZINC001048750656 761111974 /nfs/dbraw/zinc/11/19/74/761111974.db2.gz ZHRUAICQTLHYBQ-VNHYZAJKSA-N 1 1 327.388 0.121 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCCO4)C[C@H]3C2)C1=O ZINC001048768173 761146045 /nfs/dbraw/zinc/14/60/45/761146045.db2.gz SGWKMYURUNPBEJ-TWMKSMIVSA-N 1 1 347.459 0.733 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000991481717 761151144 /nfs/dbraw/zinc/15/11/44/761151144.db2.gz YIMHZEKDGPQRBU-HNNXBMFYSA-N 1 1 329.404 0.700 20 30 ECEDMO CN(C(=O)CCc1cnc[nH]1)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001127091757 761158676 /nfs/dbraw/zinc/15/86/76/761158676.db2.gz AJLDCKUSFKSEHV-UHFFFAOYSA-N 1 1 325.376 0.527 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001017463037 768010614 /nfs/dbraw/zinc/01/06/14/768010614.db2.gz UCKRDMRKRRFNGG-AWEZNQCLSA-N 1 1 341.415 0.727 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1CNCC#N ZINC001106247091 768010941 /nfs/dbraw/zinc/01/09/41/768010941.db2.gz VDOHSBYNFBKHFN-INMHGKMJSA-N 1 1 334.464 0.837 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001050949324 761197457 /nfs/dbraw/zinc/19/74/57/761197457.db2.gz DYEGBHNEEXAEBA-GJZGRUSLSA-N 1 1 325.453 0.882 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H](C)c2nncn2C)C1 ZINC001030031493 761202581 /nfs/dbraw/zinc/20/25/81/761202581.db2.gz SSDAIVIGGWLXFZ-PMPSAXMXSA-N 1 1 344.463 0.554 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H](C)c2nncn2C)C1 ZINC001030031493 761202584 /nfs/dbraw/zinc/20/25/84/761202584.db2.gz SSDAIVIGGWLXFZ-PMPSAXMXSA-N 1 1 344.463 0.554 20 30 ECEDMO C=CCCN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051028020 761361739 /nfs/dbraw/zinc/36/17/39/761361739.db2.gz BPOISTOBZLNGOH-NDUQDZPOSA-N 1 1 335.448 0.243 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051029607 761365510 /nfs/dbraw/zinc/36/55/10/761365510.db2.gz QVIKGZKIGKJJTN-BNQMIIOLSA-N 1 1 335.448 0.243 20 30 ECEDMO N#CCN1CCOC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001051111517 761510247 /nfs/dbraw/zinc/51/02/47/761510247.db2.gz TWXPCFFJLPONDA-CYBMUJFWSA-N 1 1 333.392 0.225 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001054571642 768045999 /nfs/dbraw/zinc/04/59/99/768045999.db2.gz LLVKHRYRFQZZRM-BXUZGUMPSA-N 1 1 342.407 0.704 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)[C@@H]2C)CC[N@H+]1C ZINC001051145584 761559374 /nfs/dbraw/zinc/55/93/74/761559374.db2.gz IVXCJAMZZRJGEL-GBOPCIDUSA-N 1 1 328.420 0.772 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001051203168 761681014 /nfs/dbraw/zinc/68/10/14/761681014.db2.gz GLICEBBKCHJIDY-CYBMUJFWSA-N 1 1 345.403 0.832 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001051203168 761681017 /nfs/dbraw/zinc/68/10/17/761681017.db2.gz GLICEBBKCHJIDY-CYBMUJFWSA-N 1 1 345.403 0.832 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001051252271 761767209 /nfs/dbraw/zinc/76/72/09/761767209.db2.gz CKMMOEKMVKKALD-HOTGVXAUSA-N 1 1 347.463 0.932 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001051252271 761767215 /nfs/dbraw/zinc/76/72/15/761767215.db2.gz CKMMOEKMVKKALD-HOTGVXAUSA-N 1 1 347.463 0.932 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001060288541 761825437 /nfs/dbraw/zinc/82/54/37/761825437.db2.gz AXNMLZIDXQKSBG-HUUCEWRRSA-N 1 1 336.436 0.223 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCC(=O)NC3)cccc2C1 ZINC001051291884 761838799 /nfs/dbraw/zinc/83/87/99/761838799.db2.gz DUQZCPZQDFREJR-HNNXBMFYSA-N 1 1 325.412 0.820 20 30 ECEDMO C=CC[N@H+]1CCc2c(CNC(=O)C3CC(=O)NC(=O)C3)cccc2C1 ZINC001051301181 761852583 /nfs/dbraw/zinc/85/25/83/761852583.db2.gz CAYYGRSGCXFBQZ-UHFFFAOYSA-N 1 1 341.411 0.900 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001014458115 762713416 /nfs/dbraw/zinc/71/34/16/762713416.db2.gz ICWVTDVGODEHDY-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001014458115 762713418 /nfs/dbraw/zinc/71/34/18/762713418.db2.gz ICWVTDVGODEHDY-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCn1cc(C(=O)NC2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000991692418 762777405 /nfs/dbraw/zinc/77/74/05/762777405.db2.gz HXBXPSCLZDIQCN-AWEZNQCLSA-N 1 1 346.435 0.279 20 30 ECEDMO Cc1nn[nH]c1C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001051748139 762864259 /nfs/dbraw/zinc/86/42/59/762864259.db2.gz WITPIJYUDMTFTJ-OAHLLOKOSA-N 1 1 340.387 0.616 20 30 ECEDMO CCc1nc(C#N)cc(NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001106294167 768095488 /nfs/dbraw/zinc/09/54/88/768095488.db2.gz PPKWHUKBFXWBNW-GXTWGEPZSA-N 1 1 346.435 0.548 20 30 ECEDMO CCc1nc(C#N)cc(NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001106294167 768095495 /nfs/dbraw/zinc/09/54/95/768095495.db2.gz PPKWHUKBFXWBNW-GXTWGEPZSA-N 1 1 346.435 0.548 20 30 ECEDMO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1C[N@@H+](CCCN1C(=O)CNC1=O)C2 ZINC001017541859 768097621 /nfs/dbraw/zinc/09/76/21/768097621.db2.gz JOIKKRYYHBVHBK-GASCZTMLSA-N 1 1 344.415 0.017 20 30 ECEDMO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1C[N@H+](CCCN1C(=O)CNC1=O)C2 ZINC001017541859 768097628 /nfs/dbraw/zinc/09/76/28/768097628.db2.gz JOIKKRYYHBVHBK-GASCZTMLSA-N 1 1 344.415 0.017 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)CC[N@H+](C)CC)n1 ZINC001105944122 762995000 /nfs/dbraw/zinc/99/50/00/762995000.db2.gz KCXMBGLYJOJONW-ZDUSSCGKSA-N 1 1 334.424 0.141 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001014703038 763015054 /nfs/dbraw/zinc/01/50/54/763015054.db2.gz YOGKOMJOGMHHHF-DZGCQCFKSA-N 1 1 332.404 0.503 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001014703038 763015059 /nfs/dbraw/zinc/01/50/59/763015059.db2.gz YOGKOMJOGMHHHF-DZGCQCFKSA-N 1 1 332.404 0.503 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C(C)C)C2)C1 ZINC001051814332 763028332 /nfs/dbraw/zinc/02/83/32/763028332.db2.gz CPSMXIWICWIISY-AWEZNQCLSA-N 1 1 348.451 0.927 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncnn2CCC)C1 ZINC001014771198 763128742 /nfs/dbraw/zinc/12/87/42/763128742.db2.gz XMKFMXFFTZYMNZ-HOTGVXAUSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncnn2CCC)C1 ZINC001014771198 763128746 /nfs/dbraw/zinc/12/87/46/763128746.db2.gz XMKFMXFFTZYMNZ-HOTGVXAUSA-N 1 1 344.463 0.476 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(=O)n1C ZINC001089845606 763148967 /nfs/dbraw/zinc/14/89/67/763148967.db2.gz GBNNKTJEBATJIB-XGUBFFRZSA-N 1 1 328.416 0.931 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001054638524 768112801 /nfs/dbraw/zinc/11/28/01/768112801.db2.gz QMUXNERFBWWLCI-GXTWGEPZSA-N 1 1 330.436 0.778 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001046833348 763195285 /nfs/dbraw/zinc/19/52/85/763195285.db2.gz WFVIYMOTCDNNNY-RBSFLKMASA-N 1 1 342.447 0.951 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@]2(C)CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001046885100 763297391 /nfs/dbraw/zinc/29/73/91/763297391.db2.gz BLSQAIDIIOCNJS-RDTXWAMCSA-N 1 1 345.447 0.947 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001046940649 763427854 /nfs/dbraw/zinc/42/78/54/763427854.db2.gz XAHCFLFLXMMFJM-GFCCVEGCSA-N 1 1 337.374 0.863 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001046940649 763427856 /nfs/dbraw/zinc/42/78/56/763427856.db2.gz XAHCFLFLXMMFJM-GFCCVEGCSA-N 1 1 337.374 0.863 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001046946171 763435492 /nfs/dbraw/zinc/43/54/92/763435492.db2.gz TYHMZRSJSWNKSE-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCNC3=O)C2)cc1C#N ZINC001031897687 763439281 /nfs/dbraw/zinc/43/92/81/763439281.db2.gz VSQLAJWPIXRMAW-HNNXBMFYSA-N 1 1 342.399 0.251 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(OCC)s2)C1 ZINC001030463880 763454657 /nfs/dbraw/zinc/45/46/57/763454657.db2.gz ZAPCNCDTGIHFRE-ZDUSSCGKSA-N 1 1 349.460 0.335 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(OCC)s2)C1 ZINC001030463880 763454665 /nfs/dbraw/zinc/45/46/65/763454665.db2.gz ZAPCNCDTGIHFRE-ZDUSSCGKSA-N 1 1 349.460 0.335 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(CCC)s2)C1 ZINC001030464213 763455781 /nfs/dbraw/zinc/45/57/81/763455781.db2.gz KUIAFXBXRHAPII-AWEZNQCLSA-N 1 1 347.488 0.889 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(CCC)s2)C1 ZINC001030464213 763455788 /nfs/dbraw/zinc/45/57/88/763455788.db2.gz KUIAFXBXRHAPII-AWEZNQCLSA-N 1 1 347.488 0.889 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nnc(C)s2)C1 ZINC001030464455 763458761 /nfs/dbraw/zinc/45/87/61/763458761.db2.gz ULBWVPGQIZOGSM-RISCZKNCSA-N 1 1 333.461 0.806 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nnc(C)s2)C1 ZINC001030464455 763458766 /nfs/dbraw/zinc/45/87/66/763458766.db2.gz ULBWVPGQIZOGSM-RISCZKNCSA-N 1 1 333.461 0.806 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001046964902 763476900 /nfs/dbraw/zinc/47/69/00/763476900.db2.gz ZPGGITCAMZBCME-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001046964902 763476903 /nfs/dbraw/zinc/47/69/03/763476903.db2.gz ZPGGITCAMZBCME-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001046964899 763477054 /nfs/dbraw/zinc/47/70/54/763477054.db2.gz ZPGGITCAMZBCME-CHWSQXEVSA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001046964899 763477056 /nfs/dbraw/zinc/47/70/56/763477056.db2.gz ZPGGITCAMZBCME-CHWSQXEVSA-N 1 1 327.375 0.561 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001014929562 763479666 /nfs/dbraw/zinc/47/96/66/763479666.db2.gz FIZHZCYYVOHORF-AWEZNQCLSA-N 1 1 326.462 0.968 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001046972990 763492749 /nfs/dbraw/zinc/49/27/49/763492749.db2.gz WZEADEIOQRIDRL-NEPJUHHUSA-N 1 1 337.374 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001046972990 763492755 /nfs/dbraw/zinc/49/27/55/763492755.db2.gz WZEADEIOQRIDRL-NEPJUHHUSA-N 1 1 337.374 0.931 20 30 ECEDMO C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046982909 763506379 /nfs/dbraw/zinc/50/63/79/763506379.db2.gz UCGMLAMVEBUSMY-NSHDSACASA-N 1 1 329.347 0.299 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001046987904 763518927 /nfs/dbraw/zinc/51/89/27/763518927.db2.gz YFPFWUJEESBZQR-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001046987904 763518930 /nfs/dbraw/zinc/51/89/30/763518930.db2.gz YFPFWUJEESBZQR-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCn3cccn3)C2)CC1 ZINC001051986568 763519968 /nfs/dbraw/zinc/51/99/68/763519968.db2.gz IEWLHOLLUXSXIS-KRWDZBQOSA-N 1 1 329.448 0.515 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001046992553 763528139 /nfs/dbraw/zinc/52/81/39/763528139.db2.gz YFDDZAKYFDXTSN-HUUCEWRRSA-N 1 1 341.402 0.952 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001046997025 763539778 /nfs/dbraw/zinc/53/97/78/763539778.db2.gz SHGPRZBRJKPQAO-UONOGXRCSA-N 1 1 345.390 0.493 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001047022792 763562975 /nfs/dbraw/zinc/56/29/75/763562975.db2.gz BZHGKUIENQEGLO-AAVRWANBSA-N 1 1 328.420 0.275 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001052013253 763584639 /nfs/dbraw/zinc/58/46/39/763584639.db2.gz UGIZQCDUPWVPRD-KRWDZBQOSA-N 1 1 325.416 0.742 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)C1 ZINC001106004453 763598186 /nfs/dbraw/zinc/59/81/86/763598186.db2.gz SBUCWUCMNKOJBD-JKSUJKDBSA-N 1 1 345.447 0.820 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2ccncc2C#N)C1 ZINC001106004075 763610297 /nfs/dbraw/zinc/61/02/97/763610297.db2.gz LMHDGDSWJHHHRK-GOEBONIOSA-N 1 1 345.447 0.242 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(c4ccccn4)CC3)C2)CC1 ZINC001052026175 763619081 /nfs/dbraw/zinc/61/90/81/763619081.db2.gz BINFGXPSISCLAS-QGZVFWFLSA-N 1 1 338.455 0.965 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cccc(C)c3=O)C2)CC1 ZINC001052028495 763624128 /nfs/dbraw/zinc/62/41/28/763624128.db2.gz PVZDCCXVKUDAPN-KRWDZBQOSA-N 1 1 342.443 0.008 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032152 763633353 /nfs/dbraw/zinc/63/33/53/763633353.db2.gz CQWNXEHXBAJFFP-KRWDZBQOSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032152 763633361 /nfs/dbraw/zinc/63/33/61/763633361.db2.gz CQWNXEHXBAJFFP-KRWDZBQOSA-N 1 1 329.448 0.814 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc4ccnn43)C2)CC1 ZINC001052035401 763642247 /nfs/dbraw/zinc/64/22/47/763642247.db2.gz CGRSEEMQDVMZCJ-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)no1 ZINC001106009613 763679743 /nfs/dbraw/zinc/67/97/43/763679743.db2.gz CSJVHMVCKZWGEO-GFCCVEGCSA-N 1 1 344.375 0.206 20 30 ECEDMO CC#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052044731 763680511 /nfs/dbraw/zinc/68/05/11/763680511.db2.gz KYWRJSPCSRVTTQ-ZWKOTPCHSA-N 1 1 332.492 0.713 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccncc3)C2)CC1 ZINC001052045969 763685088 /nfs/dbraw/zinc/68/50/88/763685088.db2.gz ZGLJGTAZPBGBAF-QGZVFWFLSA-N 1 1 327.432 0.756 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C2)CC1 ZINC001052047241 763689704 /nfs/dbraw/zinc/68/97/04/763689704.db2.gz JUDKFLDOLCVYEM-CQSZACIVSA-N 1 1 338.415 0.375 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)cc(=O)oc3C)C2)CC1 ZINC001052049798 763703900 /nfs/dbraw/zinc/70/39/00/763703900.db2.gz QCWZDNSYKFPTCP-MRXNPFEDSA-N 1 1 343.427 0.722 20 30 ECEDMO C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)ccc3=O)C2)CC1 ZINC001052050173 763704974 /nfs/dbraw/zinc/70/49/74/763704974.db2.gz SGHMLIOTXOSQHB-INIZCTEOSA-N 1 1 344.459 0.794 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCO)C3)nn1 ZINC001047157796 763739405 /nfs/dbraw/zinc/73/94/05/763739405.db2.gz LDKAITOIWUJTJA-ZNMIVQPWSA-N 1 1 333.436 0.819 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(N)=O)C2)c1 ZINC001089860577 763747741 /nfs/dbraw/zinc/74/77/41/763747741.db2.gz XWCMCWMUVSCTLS-QAETUUGQSA-N 1 1 338.411 0.712 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]nc3CCC)C2)C1=O ZINC001015052439 763758931 /nfs/dbraw/zinc/75/89/31/763758931.db2.gz LFBLQBIUMQAECT-CJNGLKHVSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]nc3CCC)C2)C1=O ZINC001015052439 763758939 /nfs/dbraw/zinc/75/89/39/763758939.db2.gz LFBLQBIUMQAECT-CJNGLKHVSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCc4cccnc43)C2)CC1 ZINC001052068629 763762893 /nfs/dbraw/zinc/76/28/93/763762893.db2.gz LLAVPPHXKDELBF-QZTJIDSGSA-N 1 1 338.455 0.963 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069212 763764639 /nfs/dbraw/zinc/76/46/39/763764639.db2.gz UAOLIOPSFVWDCY-VQIMIIECSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cccnc3C)C2)CC1 ZINC001052081377 763797347 /nfs/dbraw/zinc/79/73/47/763797347.db2.gz AHGFCHAPWALYGU-SFHVURJKSA-N 1 1 326.444 0.784 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](N3CC[NH+](CC=C)CC3)C2)nn1 ZINC001052093603 763838028 /nfs/dbraw/zinc/83/80/28/763838028.db2.gz RPRSOORWCMQNLD-HNNXBMFYSA-N 1 1 330.436 0.482 20 30 ECEDMO C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)N1CCCC1=O ZINC001052106050 763878945 /nfs/dbraw/zinc/87/89/45/763878945.db2.gz ABNHLYZXXITJNI-JKSUJKDBSA-N 1 1 347.463 0.129 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)CC1 ZINC001052105902 763879063 /nfs/dbraw/zinc/87/90/63/763879063.db2.gz UXIFWJZFMCBMGY-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106166 763880393 /nfs/dbraw/zinc/88/03/93/763880393.db2.gz DMXODRINVONVFO-IEBWSBKVSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106166 763880399 /nfs/dbraw/zinc/88/03/99/763880399.db2.gz DMXODRINVONVFO-IEBWSBKVSA-N 1 1 348.491 0.649 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)cn1 ZINC000995178951 763905667 /nfs/dbraw/zinc/90/56/67/763905667.db2.gz ZMALKVICHYHOGT-SWLSCSKDSA-N 1 1 339.403 0.275 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccc(C#N)cn2)C1 ZINC001106345097 768173776 /nfs/dbraw/zinc/17/37/76/768173776.db2.gz VZAPSMFNLJZVEB-UKRRQHHQSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccc(C#N)cn2)C1 ZINC001106345097 768173780 /nfs/dbraw/zinc/17/37/80/768173780.db2.gz VZAPSMFNLJZVEB-UKRRQHHQSA-N 1 1 331.420 0.981 20 30 ECEDMO CN(C(=O)c1cnn(C)c1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047299431 763919154 /nfs/dbraw/zinc/91/91/54/763919154.db2.gz XVHWBPLXMRURGD-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO CN(C(=O)c1cnn(C)c1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047299431 763919159 /nfs/dbraw/zinc/91/91/59/763919159.db2.gz XVHWBPLXMRURGD-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3ccccc3=O)C2)CC1 ZINC001052116930 763925739 /nfs/dbraw/zinc/92/57/39/763925739.db2.gz BCMXLGOOAHGMNK-INIZCTEOSA-N 1 1 330.432 0.253 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3ccccc3=O)C2)CC1 ZINC001052116930 763925741 /nfs/dbraw/zinc/92/57/41/763925741.db2.gz BCMXLGOOAHGMNK-INIZCTEOSA-N 1 1 330.432 0.253 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C2)CC1 ZINC001052116946 763925765 /nfs/dbraw/zinc/92/57/65/763925765.db2.gz BUUXKLHYQZSSII-GOSISDBHSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212186980 763926270 /nfs/dbraw/zinc/92/62/70/763926270.db2.gz FTWFVZLVSGECAF-JHJVBQTASA-N 1 1 336.354 0.919 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212186980 763926281 /nfs/dbraw/zinc/92/62/81/763926281.db2.gz FTWFVZLVSGECAF-JHJVBQTASA-N 1 1 336.354 0.919 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)CC1 ZINC001052120127 763938297 /nfs/dbraw/zinc/93/82/97/763938297.db2.gz ZABOUUZIIJJNDQ-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001015121584 763939409 /nfs/dbraw/zinc/93/94/09/763939409.db2.gz VPAABLGPZVBNCW-HIFRSBDPSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001015121584 763939413 /nfs/dbraw/zinc/93/94/13/763939413.db2.gz VPAABLGPZVBNCW-HIFRSBDPSA-N 1 1 329.404 0.376 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3COc4ccccc43)C2)CC1 ZINC001052124093 763951674 /nfs/dbraw/zinc/95/16/74/763951674.db2.gz YLTQJJUBFYGRHY-DOTOQJQBSA-N 1 1 340.427 0.905 20 30 ECEDMO CN(C(=O)c1ccon1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047310746 763953191 /nfs/dbraw/zinc/95/31/91/763953191.db2.gz HRNFNAABPPCPNY-HOTGVXAUSA-N 1 1 326.356 0.864 20 30 ECEDMO CN(C(=O)c1ccon1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047310746 763953196 /nfs/dbraw/zinc/95/31/96/763953196.db2.gz HRNFNAABPPCPNY-HOTGVXAUSA-N 1 1 326.356 0.864 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001047337969 764045733 /nfs/dbraw/zinc/04/57/33/764045733.db2.gz OCLGEPJZZGWGLC-KBMXLJTQSA-N 1 1 346.431 0.819 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc(=O)n1C ZINC001089865769 764151981 /nfs/dbraw/zinc/15/19/81/764151981.db2.gz UBGZUIPONKTUPA-JJXSEGSLSA-N 1 1 325.412 0.801 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001047375721 764153959 /nfs/dbraw/zinc/15/39/59/764153959.db2.gz HDWFACYANKQMDB-KBPBESRZSA-N 1 1 328.372 0.430 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001047375721 764153965 /nfs/dbraw/zinc/15/39/65/764153965.db2.gz HDWFACYANKQMDB-KBPBESRZSA-N 1 1 328.372 0.430 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001047379572 764165515 /nfs/dbraw/zinc/16/55/15/764165515.db2.gz GOFRCNMZKQJYPB-AGIUHOORSA-N 1 1 337.445 0.991 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001047379572 764165518 /nfs/dbraw/zinc/16/55/18/764165518.db2.gz GOFRCNMZKQJYPB-AGIUHOORSA-N 1 1 337.445 0.991 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3c(C)cnc3c2)C1 ZINC001047382321 764174506 /nfs/dbraw/zinc/17/45/06/764174506.db2.gz WQOMARHERZWNNT-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001106975781 764184496 /nfs/dbraw/zinc/18/44/96/764184496.db2.gz FXGUIDGLTSQWGD-CABCVRRESA-N 1 1 344.419 0.472 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001047392527 764196221 /nfs/dbraw/zinc/19/62/21/764196221.db2.gz MQUYWRQSYAIIOZ-JYJNAYRXSA-N 1 1 335.448 0.162 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001106059935 764208864 /nfs/dbraw/zinc/20/88/64/764208864.db2.gz LTSALKUCCQJRQI-KBPBESRZSA-N 1 1 346.435 0.284 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c3c(nn2C)CCCC3)C1 ZINC001047397185 764210735 /nfs/dbraw/zinc/21/07/35/764210735.db2.gz NWGAHADQGYFWTF-HOTGVXAUSA-N 1 1 332.448 0.992 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001047405901 764240961 /nfs/dbraw/zinc/24/09/61/764240961.db2.gz BDLHELVVFOZDLQ-STQMWFEESA-N 1 1 334.420 0.288 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001047405901 764240965 /nfs/dbraw/zinc/24/09/65/764240965.db2.gz BDLHELVVFOZDLQ-STQMWFEESA-N 1 1 334.420 0.288 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)c[nH]1 ZINC001052319373 764242203 /nfs/dbraw/zinc/24/22/03/764242203.db2.gz YBYKFPFHVZAYBY-HIFRSBDPSA-N 1 1 329.404 0.749 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001047415415 764274720 /nfs/dbraw/zinc/27/47/20/764274720.db2.gz WUPXSPOXCQAFCT-XSLAGTTESA-N 1 1 349.475 0.014 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)C1 ZINC001106069080 764298276 /nfs/dbraw/zinc/29/82/76/764298276.db2.gz LCTJUTUODADNAD-ZFWWWQNUSA-N 1 1 346.435 0.359 20 30 ECEDMO C=CCOc1ccccc1C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047433783 764332961 /nfs/dbraw/zinc/33/29/61/764332961.db2.gz QBIMIZPXCMOBKI-HOTGVXAUSA-N 1 1 334.416 0.751 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C[C@@H](C)OC ZINC001099033928 764346796 /nfs/dbraw/zinc/34/67/96/764346796.db2.gz PUMONDKVOYEWLR-HUUCEWRRSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cc(C)sc3n2)C1 ZINC001047442396 764359839 /nfs/dbraw/zinc/35/98/39/764359839.db2.gz YNANNTUMEWNDGB-GJZGRUSLSA-N 1 1 346.456 0.774 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001052379708 764369011 /nfs/dbraw/zinc/36/90/11/764369011.db2.gz QOPGQXFZERQWIF-NSHDSACASA-N 1 1 343.229 0.552 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001052379708 764369017 /nfs/dbraw/zinc/36/90/17/764369017.db2.gz QOPGQXFZERQWIF-NSHDSACASA-N 1 1 343.229 0.552 20 30 ECEDMO CN(C[C@H](O)CNc1ccncc1C#N)C(=O)C[N@@H+](C)C1CCC1 ZINC001124835198 764371192 /nfs/dbraw/zinc/37/11/92/764371192.db2.gz ZWOMLFURWMVCST-OAHLLOKOSA-N 1 1 331.420 0.091 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC001047456277 764399522 /nfs/dbraw/zinc/39/95/22/764399522.db2.gz PHRFEMKZVMYHGH-KBMXLJTQSA-N 1 1 332.375 0.514 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC001047456277 764399533 /nfs/dbraw/zinc/39/95/33/764399533.db2.gz PHRFEMKZVMYHGH-KBMXLJTQSA-N 1 1 332.375 0.514 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c(OC)co2)C1 ZINC001047458623 764407795 /nfs/dbraw/zinc/40/77/95/764407795.db2.gz XBKQWWNPJVAPDS-JSGCOSHPSA-N 1 1 336.388 0.732 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001047460250 764412507 /nfs/dbraw/zinc/41/25/07/764412507.db2.gz BDDWATYJJPBUJX-GJZGRUSLSA-N 1 1 344.419 0.447 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001047466961 764425810 /nfs/dbraw/zinc/42/58/10/764425810.db2.gz WWYHPGHAALMCDP-JHNDHUHGSA-N 1 1 332.448 0.993 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001047470249 764434121 /nfs/dbraw/zinc/43/41/21/764434121.db2.gz LBEAQHBHRIEJRI-KKUMJFAQSA-N 1 1 348.472 0.639 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001047470249 764434124 /nfs/dbraw/zinc/43/41/24/764434124.db2.gz LBEAQHBHRIEJRI-KKUMJFAQSA-N 1 1 348.472 0.639 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001047471294 764437985 /nfs/dbraw/zinc/43/79/85/764437985.db2.gz MHZLZQIZCKHCJA-ULQDDVLXSA-N 1 1 337.464 0.177 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001047471294 764437990 /nfs/dbraw/zinc/43/79/90/764437990.db2.gz MHZLZQIZCKHCJA-ULQDDVLXSA-N 1 1 337.464 0.177 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cncc(OC)n1 ZINC001089873097 764461074 /nfs/dbraw/zinc/46/10/74/764461074.db2.gz ODGDHFNYAJCOHI-AYDFFVQHSA-N 1 1 326.400 0.901 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c(C)csc3n2)C1 ZINC001047480552 764471393 /nfs/dbraw/zinc/47/13/93/764471393.db2.gz PATAGUKRKHQQBF-KBPBESRZSA-N 1 1 334.445 0.936 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001052430212 764480591 /nfs/dbraw/zinc/48/05/91/764480591.db2.gz QCVPQJZRXMWELK-AWEZNQCLSA-N 1 1 327.450 0.016 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cn(CCC)nn3)C2)C1=O ZINC001032080877 764493013 /nfs/dbraw/zinc/49/30/13/764493013.db2.gz RJIBWXXAMIGUIU-OAHLLOKOSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001047501795 764529732 /nfs/dbraw/zinc/52/97/32/764529732.db2.gz VUZBAPJHRISEHF-JQFCIGGWSA-N 1 1 330.432 0.367 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)CC1 ZINC001052456553 764537437 /nfs/dbraw/zinc/53/74/37/764537437.db2.gz HHGGVLPOXSEGDZ-AEFFLSMTSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccn(C)n2)CC1 ZINC001052456553 764537441 /nfs/dbraw/zinc/53/74/41/764537441.db2.gz HHGGVLPOXSEGDZ-AEFFLSMTSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001099061264 764573346 /nfs/dbraw/zinc/57/33/46/764573346.db2.gz WAGCYCSSRPRHQQ-RDJZCZTQSA-N 1 1 338.473 0.805 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cncn3)c2)C1 ZINC001047521248 764579417 /nfs/dbraw/zinc/57/94/17/764579417.db2.gz OJPWGYWJMZLFTI-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cncn3)c2)C1 ZINC001047521248 764579423 /nfs/dbraw/zinc/57/94/23/764579423.db2.gz OJPWGYWJMZLFTI-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)[C@H]1C ZINC001088947748 764579943 /nfs/dbraw/zinc/57/99/43/764579943.db2.gz QWNCHNMTCLZDCZ-ILXRZTDVSA-N 1 1 331.420 0.531 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001077481901 764630983 /nfs/dbraw/zinc/63/09/83/764630983.db2.gz MBGQVADSMFXIDH-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001077481901 764630987 /nfs/dbraw/zinc/63/09/87/764630987.db2.gz MBGQVADSMFXIDH-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnnn1 ZINC001089880838 764638619 /nfs/dbraw/zinc/63/86/19/764638619.db2.gz OHABUYACBQPHRM-JONQDZQNSA-N 1 1 328.420 0.255 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2)C1 ZINC001047548125 764658807 /nfs/dbraw/zinc/65/88/07/764658807.db2.gz RMDJBYDZBMBHQH-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2)C1 ZINC001047548125 764658814 /nfs/dbraw/zinc/65/88/14/764658814.db2.gz RMDJBYDZBMBHQH-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001047548422 764660128 /nfs/dbraw/zinc/66/01/28/764660128.db2.gz DATZVLINMLLVJR-GJZGRUSLSA-N 1 1 330.388 0.962 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC1 ZINC001052516277 764666725 /nfs/dbraw/zinc/66/67/25/764666725.db2.gz MIVDLMHLSPCOAA-AWEZNQCLSA-N 1 1 342.403 0.927 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(N3CCOCC3)CCCC2)C1 ZINC001047552671 764672179 /nfs/dbraw/zinc/67/21/79/764672179.db2.gz QLUUDZKRZBFASQ-IRXDYDNUSA-N 1 1 349.475 0.158 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001047552852 764672277 /nfs/dbraw/zinc/67/22/77/764672277.db2.gz AFGLDZSOHXVJPZ-IRXDYDNUSA-N 1 1 345.443 0.645 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001047552852 764672283 /nfs/dbraw/zinc/67/22/83/764672283.db2.gz AFGLDZSOHXVJPZ-IRXDYDNUSA-N 1 1 345.443 0.645 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(N3CCCC3)n2)C1 ZINC001047553163 764674197 /nfs/dbraw/zinc/67/41/97/764674197.db2.gz RCPCSNGKPNJMTR-HOTGVXAUSA-N 1 1 345.447 0.770 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)NCC ZINC001099074187 764693430 /nfs/dbraw/zinc/69/34/30/764693430.db2.gz JBXVBYDRTRENGZ-OAHLLOKOSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)NCC ZINC001099074187 764693432 /nfs/dbraw/zinc/69/34/32/764693432.db2.gz JBXVBYDRTRENGZ-OAHLLOKOSA-N 1 1 337.464 0.769 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001047564047 764701373 /nfs/dbraw/zinc/70/13/73/764701373.db2.gz KZHZLRDULCLTRX-KBPBESRZSA-N 1 1 345.403 0.518 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nncn3c2)C1 ZINC001047564190 764702044 /nfs/dbraw/zinc/70/20/44/764702044.db2.gz MPLCFZPFRRXCOY-GJZGRUSLSA-N 1 1 329.404 0.813 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001052534397 764708627 /nfs/dbraw/zinc/70/86/27/764708627.db2.gz JJCGHKRMFLWNBP-LBPRGKRZSA-N 1 1 340.811 0.672 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(CCC)n[nH]3)C2)C1=O ZINC001015471266 764713292 /nfs/dbraw/zinc/71/32/92/764713292.db2.gz MRIYNXYTCRWVKI-HOCLYGCPSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(CCC)n[nH]3)C2)C1=O ZINC001015471266 764713298 /nfs/dbraw/zinc/71/32/98/764713298.db2.gz MRIYNXYTCRWVKI-HOCLYGCPSA-N 1 1 345.447 0.953 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1OC ZINC001212193263 764714138 /nfs/dbraw/zinc/71/41/38/764714138.db2.gz BZVFRHQPDQQBAE-BFYDXBDKSA-N 1 1 328.453 0.944 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2OCC(N)=O)CC1 ZINC001052543412 764721381 /nfs/dbraw/zinc/72/13/81/764721381.db2.gz DUYSHGHFFNFRGB-AWEZNQCLSA-N 1 1 329.400 0.768 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001052545047 764727083 /nfs/dbraw/zinc/72/70/83/764727083.db2.gz ZOCWDFFNXMCPAG-HNNXBMFYSA-N 1 1 346.431 0.497 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001047572458 764731962 /nfs/dbraw/zinc/73/19/62/764731962.db2.gz NMLWGCCCNXOYOA-IKGGRYGDSA-N 1 1 341.411 0.388 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001047572458 764731968 /nfs/dbraw/zinc/73/19/68/764731968.db2.gz NMLWGCCCNXOYOA-IKGGRYGDSA-N 1 1 341.411 0.388 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)cc1 ZINC001015487921 764763663 /nfs/dbraw/zinc/76/36/63/764763663.db2.gz NUUUVBGVXJVPHI-QZTJIDSGSA-N 1 1 338.411 0.730 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001052562893 764764270 /nfs/dbraw/zinc/76/42/70/764764270.db2.gz DBVKZATZMVKUGT-AWEZNQCLSA-N 1 1 329.466 0.569 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001047590738 764800195 /nfs/dbraw/zinc/80/01/95/764800195.db2.gz HVBJZTWPWAZMOK-HOTGVXAUSA-N 1 1 345.399 0.000 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)cc1 ZINC001015505247 764822195 /nfs/dbraw/zinc/82/21/95/764822195.db2.gz SSLKBEMJWHAIBS-ZBFHGGJFSA-N 1 1 342.399 0.416 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)cn1 ZINC001047599118 764837166 /nfs/dbraw/zinc/83/71/66/764837166.db2.gz ILVJMNXSDQDHQE-WBAXXEDZSA-N 1 1 343.427 0.607 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001015515498 764854775 /nfs/dbraw/zinc/85/47/75/764854775.db2.gz WQPQCNGGWHUVQC-HUUCEWRRSA-N 1 1 327.388 0.272 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001047604774 764857409 /nfs/dbraw/zinc/85/74/09/764857409.db2.gz OWDBJIRDXCJOIS-GJZGRUSLSA-N 1 1 340.383 0.476 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3[nH]nnc3C)CC2)C1=O ZINC001052618207 764859256 /nfs/dbraw/zinc/85/92/56/764859256.db2.gz SDRVTGHEZUODSR-UONOGXRCSA-N 1 1 346.435 0.484 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3oc2=O)C1 ZINC001047616312 764892672 /nfs/dbraw/zinc/89/26/72/764892672.db2.gz NQQYTOGAFLWSEK-HOTGVXAUSA-N 1 1 340.379 0.933 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3oc2=O)C1 ZINC001047616312 764892679 /nfs/dbraw/zinc/89/26/79/764892679.db2.gz NQQYTOGAFLWSEK-HOTGVXAUSA-N 1 1 340.379 0.933 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001047624693 764915272 /nfs/dbraw/zinc/91/52/72/764915272.db2.gz WZJWMBFCNCMQPQ-GJZGRUSLSA-N 1 1 334.420 0.347 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cnoc3)CC2)C1=O ZINC001052650441 764933168 /nfs/dbraw/zinc/93/31/68/764933168.db2.gz FEDOVERXVZIMRZ-HZPDHXFCSA-N 1 1 346.431 0.975 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)c1 ZINC001052696648 765001480 /nfs/dbraw/zinc/00/14/80/765001480.db2.gz SOGUSSLKCYZOAD-IRXDYDNUSA-N 1 1 340.427 0.926 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@H]12 ZINC000991976735 765030235 /nfs/dbraw/zinc/03/02/35/765030235.db2.gz RPPWNDZABDWWSE-GRDNDAEWSA-N 1 1 329.404 0.665 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001099102316 765051303 /nfs/dbraw/zinc/05/13/03/765051303.db2.gz LSYALZMBOZDTOP-CQSZACIVSA-N 1 1 343.493 0.508 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001015612113 765061138 /nfs/dbraw/zinc/06/11/38/765061138.db2.gz RWRKMNXHIKBQHG-ZIAGYGMSSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001015612113 765061148 /nfs/dbraw/zinc/06/11/48/765061148.db2.gz RWRKMNXHIKBQHG-ZIAGYGMSSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)CC2)nn1 ZINC001052774692 765096106 /nfs/dbraw/zinc/09/61/06/765096106.db2.gz HBCADIPBOTYWPE-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001052784711 765116735 /nfs/dbraw/zinc/11/67/35/765116735.db2.gz VYYHMHIODXWZCO-OAHLLOKOSA-N 1 1 348.451 0.726 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001014980506 765117585 /nfs/dbraw/zinc/11/75/85/765117585.db2.gz UMWPGTVELPVZEU-LBPRGKRZSA-N 1 1 327.406 0.697 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001052785697 765118022 /nfs/dbraw/zinc/11/80/22/765118022.db2.gz KWFVRNZCCUXLBG-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000992006526 765133376 /nfs/dbraw/zinc/13/33/76/765133376.db2.gz HUMBPIRRILMPOP-BNQIPGGESA-N 1 1 343.431 0.851 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2cnon2)CC1 ZINC001017666494 768269006 /nfs/dbraw/zinc/26/90/06/768269006.db2.gz HQQNIBABHQQQHN-HNNXBMFYSA-N 1 1 343.387 0.056 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2cnon2)CC1 ZINC001017666494 768269008 /nfs/dbraw/zinc/26/90/08/768269008.db2.gz HQQNIBABHQQQHN-HNNXBMFYSA-N 1 1 343.387 0.056 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001052821139 765181257 /nfs/dbraw/zinc/18/12/57/765181257.db2.gz IEWBDIPQIDTJFL-NFAWXSAZSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001052822098 765181957 /nfs/dbraw/zinc/18/19/57/765181957.db2.gz ZUTPXBRJCXNSHO-UMVBOHGHSA-N 1 1 328.420 0.631 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052857769 765239373 /nfs/dbraw/zinc/23/93/73/765239373.db2.gz UKPJFVCXJGHSRD-ZDUSSCGKSA-N 1 1 332.404 0.716 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)CC2)nc1 ZINC001052875336 765276560 /nfs/dbraw/zinc/27/65/60/765276560.db2.gz MMYPAUJLHXCEDQ-ZBFHGGJFSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)nc1 ZINC001052876414 765278146 /nfs/dbraw/zinc/27/81/46/765278146.db2.gz VOZCJSQFGHWKBN-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)CC2)cn1 ZINC001052879188 765287740 /nfs/dbraw/zinc/28/77/40/765287740.db2.gz QSEKQMQCMPNEML-JKSUJKDBSA-N 1 1 326.400 0.536 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001017675220 768281567 /nfs/dbraw/zinc/28/15/67/768281567.db2.gz FYWXGMYONITDFS-MELADBBJSA-N 1 1 331.420 0.797 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001017677968 768284616 /nfs/dbraw/zinc/28/46/16/768284616.db2.gz WPZZUWNBPZSYAE-MCIONIFRSA-N 1 1 331.420 0.797 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001017677968 768284619 /nfs/dbraw/zinc/28/46/19/768284619.db2.gz WPZZUWNBPZSYAE-MCIONIFRSA-N 1 1 331.420 0.797 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3nc(C)n(-c4nc[nH]n4)n3)CCC[C@H]12 ZINC000992071088 765364422 /nfs/dbraw/zinc/36/44/22/765364422.db2.gz LTBVWEASWJICSA-BLLLJJGKSA-N 1 1 340.391 0.054 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000992071259 765371479 /nfs/dbraw/zinc/37/14/79/765371479.db2.gz MDSPVHMMZSVUBO-BMFZPTHFSA-N 1 1 335.448 0.779 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)cc1 ZINC001015834806 765403578 /nfs/dbraw/zinc/40/35/78/765403578.db2.gz LRXMLBUVJBDMCN-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015834890 765405085 /nfs/dbraw/zinc/40/50/85/765405085.db2.gz MPQXICVHRRTLCM-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015834890 765405092 /nfs/dbraw/zinc/40/50/92/765405092.db2.gz MPQXICVHRRTLCM-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001052988439 765466135 /nfs/dbraw/zinc/46/61/35/765466135.db2.gz UYCVKVWBESTMAX-GOEBONIOSA-N 1 1 346.431 0.442 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnc(C)c3)C2)C1=O ZINC001015878364 765486777 /nfs/dbraw/zinc/48/67/77/765486777.db2.gz FFZQMLIFECKZPG-HZPDHXFCSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccnc(C)c3)C2)C1=O ZINC001015878364 765486781 /nfs/dbraw/zinc/48/67/81/765486781.db2.gz FFZQMLIFECKZPG-HZPDHXFCSA-N 1 1 328.416 0.981 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[N@H+](CC(N)=O)C3)C2)[nH]1 ZINC001053019333 765492620 /nfs/dbraw/zinc/49/26/20/765492620.db2.gz LYLUWPULJXQVAZ-UONOGXRCSA-N 1 1 343.431 0.936 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC001053029928 765501848 /nfs/dbraw/zinc/50/18/48/765501848.db2.gz YLIHQZLTJLBRQN-HOTGVXAUSA-N 1 1 342.443 0.978 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccn(C)n2)C1 ZINC000992120525 765560833 /nfs/dbraw/zinc/56/08/33/765560833.db2.gz JGYCHSWOHADHEN-XUJLQICISA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccn(C)n2)C1 ZINC000992120525 765560838 /nfs/dbraw/zinc/56/08/38/765560838.db2.gz JGYCHSWOHADHEN-XUJLQICISA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN2CCOCC2=O)C1 ZINC001053087412 765562540 /nfs/dbraw/zinc/56/25/40/765562540.db2.gz KSJLWKLSQSTOKN-IAGOWNOFSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2ncnn2)C1 ZINC001053087633 765563198 /nfs/dbraw/zinc/56/31/98/765563198.db2.gz VFSAVJGTJUZQBM-HZPDHXFCSA-N 1 1 330.436 0.790 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C)C(=O)N3)CCC[C@H]12 ZINC000992125786 765576982 /nfs/dbraw/zinc/57/69/82/765576982.db2.gz DOMHEESMYYUASL-SLEUVZQESA-N 1 1 326.828 0.876 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C)C(=O)N3)CCC[C@H]12 ZINC000992125786 765576989 /nfs/dbraw/zinc/57/69/89/765576989.db2.gz DOMHEESMYYUASL-SLEUVZQESA-N 1 1 326.828 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)cc1 ZINC001077494869 765616015 /nfs/dbraw/zinc/61/60/15/765616015.db2.gz HPYWUTBHFHZITJ-QZTJIDSGSA-N 1 1 328.412 0.869 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cnn(CC)c3)C2)C1=O ZINC001015976010 765651468 /nfs/dbraw/zinc/65/14/68/765651468.db2.gz ZPVJKBGSBVOUAD-CVEARBPZSA-N 1 1 345.447 0.423 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cnn(CC)c3)C2)C1=O ZINC001015976010 765651474 /nfs/dbraw/zinc/65/14/74/765651474.db2.gz ZPVJKBGSBVOUAD-CVEARBPZSA-N 1 1 345.447 0.423 20 30 ECEDMO CN(CCOCCNc1ncccc1C#N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001127237810 765680035 /nfs/dbraw/zinc/68/00/35/765680035.db2.gz RAEXLEWMRBMDJY-HNNXBMFYSA-N 1 1 347.419 0.171 20 30 ECEDMO CN(CCOCCNc1ncccc1C#N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001127237810 765680041 /nfs/dbraw/zinc/68/00/41/765680041.db2.gz RAEXLEWMRBMDJY-HNNXBMFYSA-N 1 1 347.419 0.171 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)cc1 ZINC000992160629 765717517 /nfs/dbraw/zinc/71/75/17/765717517.db2.gz OKNDWHMZODURAE-CRAIPNDOSA-N 1 1 342.399 0.687 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)cn1 ZINC001016016401 765723652 /nfs/dbraw/zinc/72/36/52/765723652.db2.gz LGKFVCZGJWBWMU-IAGOWNOFSA-N 1 1 339.399 0.125 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H](O)CNc1ncccc1C#N)CC(C)(C)C ZINC001106108899 765867034 /nfs/dbraw/zinc/86/70/34/765867034.db2.gz RLRMSLUDTWJUDW-CQSZACIVSA-N 1 1 333.436 0.820 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1COCCN1CC)CCO2 ZINC001053320486 765966271 /nfs/dbraw/zinc/96/62/71/765966271.db2.gz HRMOCZKJRGJTCV-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H](OC)[C@@H]1CCOC1)CCO2 ZINC001053356963 766025249 /nfs/dbraw/zinc/02/52/49/766025249.db2.gz QRNUQAUYLQSVLW-CVEARBPZSA-N 1 1 338.448 0.917 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cn[nH]c2)C1 ZINC001016279619 766029404 /nfs/dbraw/zinc/02/94/04/766029404.db2.gz YCUIVZOQRZYGHE-NRXISQOPSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cn[nH]c2)C1 ZINC001016279619 766029411 /nfs/dbraw/zinc/02/94/11/766029411.db2.gz YCUIVZOQRZYGHE-NRXISQOPSA-N 1 1 329.404 0.227 20 30 ECEDMO CCN1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306523 766084587 /nfs/dbraw/zinc/08/45/87/766084587.db2.gz PPSFOMKNIBCOQH-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO CCN1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306523 766084590 /nfs/dbraw/zinc/08/45/90/766084590.db2.gz PPSFOMKNIBCOQH-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 ZINC000992264932 766094351 /nfs/dbraw/zinc/09/43/51/766094351.db2.gz VZNNVRFYVDMGBQ-ZIBATOQPSA-N 1 1 340.811 0.450 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 ZINC000992264932 766094359 /nfs/dbraw/zinc/09/43/59/766094359.db2.gz VZNNVRFYVDMGBQ-ZIBATOQPSA-N 1 1 340.811 0.450 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cn(C)c(=O)n(C)c3=O)CCC[C@H]12 ZINC000992267998 766105829 /nfs/dbraw/zinc/10/58/29/766105829.db2.gz HWPFKVVWAXLMLL-KSSFIOAISA-N 1 1 346.431 0.387 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cn(C)c(=O)n(C)c3=O)CCC[C@H]12 ZINC000992271831 766114313 /nfs/dbraw/zinc/11/43/13/766114313.db2.gz OBYGGHUPCYOCIP-KBXCAEBGSA-N 1 1 346.431 0.387 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001016326160 766117880 /nfs/dbraw/zinc/11/78/80/766117880.db2.gz RQQFNULZDUPEIG-ZALBZXLWSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 ZINC001053429509 766119887 /nfs/dbraw/zinc/11/98/87/766119887.db2.gz QZNCDWJBYHGCIT-QGZVFWFLSA-N 1 1 338.427 0.636 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC001016328095 766122849 /nfs/dbraw/zinc/12/28/49/766122849.db2.gz RXYRXFQGTZRFNY-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC001016328095 766122851 /nfs/dbraw/zinc/12/28/51/766122851.db2.gz RXYRXFQGTZRFNY-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)[C@@H]1CCC(=O)N1)CCO2 ZINC001053442291 766138622 /nfs/dbraw/zinc/13/86/22/766138622.db2.gz IHWNVGOQAUEZSC-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCn1cc(C(=O)N2CCOC3(C[NH+](C[C@H]4CCOC4)C3)C2)nn1 ZINC001053464094 766176219 /nfs/dbraw/zinc/17/62/19/766176219.db2.gz ZWNBSKHKMTWMSS-CQSZACIVSA-N 1 1 347.419 0.027 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 ZINC000992301545 766198788 /nfs/dbraw/zinc/19/87/88/766198788.db2.gz ZXEFPWKKJHELMB-DCGLDWPTSA-N 1 1 334.420 0.664 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cccn3)nc2)[C@@H](O)C1 ZINC001083686108 766217036 /nfs/dbraw/zinc/21/70/36/766217036.db2.gz BFHAOXLJWJZZQR-CABCVRRESA-N 1 1 325.372 0.066 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C(=O)N1CC[C@@H](C)C1)CCO2 ZINC001053502444 766245395 /nfs/dbraw/zinc/24/53/95/766245395.db2.gz VIOHLIRLOKDLCD-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCN(C)S3(=O)=O)CCC[C@H]12 ZINC000992315598 766246865 /nfs/dbraw/zinc/24/68/65/766246865.db2.gz VAASLQQDLNOYEP-OFQRWUPVSA-N 1 1 341.477 0.710 20 30 ECEDMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016411937 766250745 /nfs/dbraw/zinc/25/07/45/766250745.db2.gz UKAYSEGQRLJXFI-IRXDYDNUSA-N 1 1 340.427 0.772 20 30 ECEDMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016411937 766250752 /nfs/dbraw/zinc/25/07/52/766250752.db2.gz UKAYSEGQRLJXFI-IRXDYDNUSA-N 1 1 340.427 0.772 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cccnc2-n2cccn2)[C@@H](O)C1 ZINC001083688744 766258720 /nfs/dbraw/zinc/25/87/20/766258720.db2.gz HXZAYKONBWHDAC-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(CC)n(C)n3)C2)C1=O ZINC001016416614 766259161 /nfs/dbraw/zinc/25/91/61/766259161.db2.gz OIUNZHJVKGFWCD-XJKSGUPXSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(CC)n(C)n3)C2)C1=O ZINC001016416614 766259162 /nfs/dbraw/zinc/25/91/62/766259162.db2.gz OIUNZHJVKGFWCD-XJKSGUPXSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(CC)n(C)n3)C2)C1=O ZINC001016416612 766259177 /nfs/dbraw/zinc/25/91/77/766259177.db2.gz OIUNZHJVKGFWCD-CJNGLKHVSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(CC)n(C)n3)C2)C1=O ZINC001016416612 766259179 /nfs/dbraw/zinc/25/91/79/766259179.db2.gz OIUNZHJVKGFWCD-CJNGLKHVSA-N 1 1 345.447 0.574 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016429744 766284376 /nfs/dbraw/zinc/28/43/76/766284376.db2.gz IYAPHQYHANXKIW-GJZGRUSLSA-N 1 1 340.383 0.302 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016429744 766284381 /nfs/dbraw/zinc/28/43/81/766284381.db2.gz IYAPHQYHANXKIW-GJZGRUSLSA-N 1 1 340.383 0.302 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001045797329 766383536 /nfs/dbraw/zinc/38/35/36/766383536.db2.gz AQWLIDQCYNDCAT-IKGGRYGDSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncc3[nH]cnc31)O2 ZINC001053601686 766410966 /nfs/dbraw/zinc/41/09/66/766410966.db2.gz PNIDPGKWOCDFIZ-CYBMUJFWSA-N 1 1 339.399 0.944 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC(=O)N(CC)C1)O2 ZINC001053606086 766420279 /nfs/dbraw/zinc/42/02/79/766420279.db2.gz HFZIFNFPBCBFCM-HUUCEWRRSA-N 1 1 333.432 0.228 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)c1 ZINC001045844977 766426821 /nfs/dbraw/zinc/42/68/21/766426821.db2.gz PJGXJAGGPQIKBZ-IXDOHACOSA-N 1 1 338.411 0.630 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3n[nH]nc3c1)O2 ZINC001053611585 766432771 /nfs/dbraw/zinc/43/27/71/766432771.db2.gz UMZMHHVFSCEDRI-ZDUSSCGKSA-N 1 1 340.387 0.339 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](C)O)nn1 ZINC001045861930 766441180 /nfs/dbraw/zinc/44/11/80/766441180.db2.gz LIZULDGQBRDFNL-KFWWJZLASA-N 1 1 333.436 0.914 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)O2 ZINC001053619218 766448098 /nfs/dbraw/zinc/44/80/98/766448098.db2.gz NMKMUYYGLBJWJM-CABCVRRESA-N 1 1 333.432 0.228 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)NC)nc1 ZINC001045880457 766462755 /nfs/dbraw/zinc/46/27/55/766462755.db2.gz WWQKBJNZSWPXRH-IMJJTQAJSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCN(C(C)=O)C1)O2 ZINC001053625823 766466408 /nfs/dbraw/zinc/46/64/08/766466408.db2.gz GEGCSASLLUFPLS-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)O2 ZINC001053638900 766494968 /nfs/dbraw/zinc/49/49/68/766494968.db2.gz ZRAVKQAJHLCRGM-CABCVRRESA-N 1 1 333.432 0.276 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001045925927 766498567 /nfs/dbraw/zinc/49/85/67/766498567.db2.gz XPIXUTGZGQIWDQ-QAPCUYQASA-N 1 1 347.463 0.876 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNc1cncc(C#N)n1 ZINC001053653448 766517934 /nfs/dbraw/zinc/51/79/34/766517934.db2.gz LWGSRRSBNHYFCS-NFAWXSAZSA-N 1 1 328.420 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001045973159 766542369 /nfs/dbraw/zinc/54/23/69/766542369.db2.gz HZFPYKYLLZBYAR-IBGZPJMESA-N 1 1 345.443 0.767 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001045974425 766544257 /nfs/dbraw/zinc/54/42/57/766544257.db2.gz CFHHXZWRORNMKI-QGZVFWFLSA-N 1 1 334.420 0.429 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(=O)NC)CC3)nc1 ZINC000992427725 766547545 /nfs/dbraw/zinc/54/75/45/766547545.db2.gz ZQAOWYYJKVSXBR-YJBOKZPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)NC)CC3)nc1 ZINC000992427725 766547549 /nfs/dbraw/zinc/54/75/49/766547549.db2.gz ZQAOWYYJKVSXBR-YJBOKZPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)nc1 ZINC001045979375 766550002 /nfs/dbraw/zinc/55/00/02/766550002.db2.gz SFWDDRLBARVCHJ-IBGZPJMESA-N 1 1 340.427 0.866 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001045984764 766556003 /nfs/dbraw/zinc/55/60/03/766556003.db2.gz IGLKIPSETNMZAU-GOEBONIOSA-N 1 1 341.477 0.569 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]c(C)n2)nn1 ZINC001106131513 766581954 /nfs/dbraw/zinc/58/19/54/766581954.db2.gz COUCTHDRLTUFAK-GFCCVEGCSA-N 1 1 331.380 0.074 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC001046007763 766621785 /nfs/dbraw/zinc/62/17/85/766621785.db2.gz KEPAFMOQAONYBX-LSDHHAIUSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC001046007763 766621791 /nfs/dbraw/zinc/62/17/91/766621791.db2.gz KEPAFMOQAONYBX-LSDHHAIUSA-N 1 1 327.856 0.994 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(N)=O)cs1)O2 ZINC001053702272 766624710 /nfs/dbraw/zinc/62/47/10/766624710.db2.gz SFIBYYZOIPCEDP-CYBMUJFWSA-N 1 1 347.440 0.834 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@H]12 ZINC000992459737 766625677 /nfs/dbraw/zinc/62/56/77/766625677.db2.gz ARHSWGKASPWTHN-GUYCJALGSA-N 1 1 332.404 0.017 20 30 ECEDMO Cc1nnsc1C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011201 766635805 /nfs/dbraw/zinc/63/58/05/766635805.db2.gz ANJVZBBYMCMPRV-TZMCWYRMSA-N 1 1 348.476 0.725 20 30 ECEDMO Cc1nnsc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011201 766635810 /nfs/dbraw/zinc/63/58/10/766635810.db2.gz ANJVZBBYMCMPRV-TZMCWYRMSA-N 1 1 348.476 0.725 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)nn3C)CC2)C1 ZINC001046012168 766638223 /nfs/dbraw/zinc/63/82/23/766638223.db2.gz MNBKSILZGUTBHO-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)c1 ZINC001046017919 766655704 /nfs/dbraw/zinc/65/57/04/766655704.db2.gz RNCUCGXVUFQGTE-OAHLLOKOSA-N 1 1 331.420 0.101 20 30 ECEDMO CCN1C[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)CC1=O ZINC001031709788 766666480 /nfs/dbraw/zinc/66/64/80/766666480.db2.gz SMGPGNIYVQNNNU-SFHVURJKSA-N 1 1 339.439 0.955 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 ZINC001046022078 766668541 /nfs/dbraw/zinc/66/85/41/766668541.db2.gz LKWHCELTEFULHG-CVEARBPZSA-N 1 1 332.452 0.634 20 30 ECEDMO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001213271143 766675862 /nfs/dbraw/zinc/67/58/62/766675862.db2.gz KAKPHJHAQLYQEW-BZUAXINKSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001213271143 766675863 /nfs/dbraw/zinc/67/58/63/766675863.db2.gz KAKPHJHAQLYQEW-BZUAXINKSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncccc3O)CC2)C1 ZINC001046024771 766677605 /nfs/dbraw/zinc/67/76/05/766677605.db2.gz RPYHWTXLYJBIQY-OAHLLOKOSA-N 1 1 328.416 0.643 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 ZINC001046026075 766681074 /nfs/dbraw/zinc/68/10/74/766681074.db2.gz CDKAZXQWSMJQCD-DLBZAZTESA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccnn3C)CC2)C1 ZINC001046026774 766684543 /nfs/dbraw/zinc/68/45/43/766684543.db2.gz HOTWHFJCOBGQAR-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992484007 766686141 /nfs/dbraw/zinc/68/61/41/766686141.db2.gz ZKYVBWNHYRAPMB-SUMWQHHRSA-N 1 1 332.404 0.789 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1OC ZINC001212262642 766692603 /nfs/dbraw/zinc/69/26/03/766692603.db2.gz UMFUICCZXPKWNH-BZUAXINKSA-N 1 1 338.448 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC001016669783 766697574 /nfs/dbraw/zinc/69/75/74/766697574.db2.gz BKVSFPFAZCXSAF-LMPOIIKSSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC001016669783 766697576 /nfs/dbraw/zinc/69/75/76/766697576.db2.gz BKVSFPFAZCXSAF-LMPOIIKSSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc3c([nH]2)CCC3)C1 ZINC000994752852 766704090 /nfs/dbraw/zinc/70/40/90/766704090.db2.gz WCPPYJXHLQRQGB-KRWDZBQOSA-N 1 1 340.427 0.542 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc3c([nH]2)CCC3)C1 ZINC000994752852 766704100 /nfs/dbraw/zinc/70/41/00/766704100.db2.gz WCPPYJXHLQRQGB-KRWDZBQOSA-N 1 1 340.427 0.542 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C)c(C)n2)C1 ZINC000994754325 766707436 /nfs/dbraw/zinc/70/74/36/766707436.db2.gz KXPBMLVGRDIPLI-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C)c(C)n2)C1 ZINC000994754325 766707440 /nfs/dbraw/zinc/70/74/40/766707440.db2.gz KXPBMLVGRDIPLI-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)CC2)C1 ZINC001046032735 766707477 /nfs/dbraw/zinc/70/74/77/766707477.db2.gz IIVFHMWFJIUKQZ-FUHWJXTLSA-N 1 1 343.475 0.679 20 30 ECEDMO CCN1C[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001031713243 766709740 /nfs/dbraw/zinc/70/97/40/766709740.db2.gz RVTRLQNKOGNHPI-QGZVFWFLSA-N 1 1 340.427 0.975 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc4n[nH]nc43)CC2)C1 ZINC001046033691 766709923 /nfs/dbraw/zinc/70/99/23/766709923.db2.gz YXSPURNKVQNGCO-AWEZNQCLSA-N 1 1 338.415 0.423 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC2CC(F)(F)C2)C1 ZINC000994753562 766711221 /nfs/dbraw/zinc/71/12/21/766711221.db2.gz IQFJRMLNRLPDTH-AWEZNQCLSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC2CC(F)(F)C2)C1 ZINC000994753562 766711226 /nfs/dbraw/zinc/71/12/26/766711226.db2.gz IQFJRMLNRLPDTH-AWEZNQCLSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)C1 ZINC001046033818 766711885 /nfs/dbraw/zinc/71/18/85/766711885.db2.gz LWKFOIMTLSPIMT-MRXNPFEDSA-N 1 1 341.459 0.763 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046034241 766712385 /nfs/dbraw/zinc/71/23/85/766712385.db2.gz QENKXAGTUKKJER-CYBMUJFWSA-N 1 1 342.871 0.469 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046034241 766712389 /nfs/dbraw/zinc/71/23/89/766712389.db2.gz QENKXAGTUKKJER-CYBMUJFWSA-N 1 1 342.871 0.469 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnn3CCC)CC2)C1 ZINC001046034536 766714733 /nfs/dbraw/zinc/71/47/33/766714733.db2.gz UMVZPGZZCJUCNI-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc4[nH]cnc43)CC2)C1 ZINC001046034883 766716454 /nfs/dbraw/zinc/71/64/54/766716454.db2.gz YASUWPSBHQQPNJ-AWEZNQCLSA-N 1 1 338.415 0.423 20 30 ECEDMO N#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001046035549 766720665 /nfs/dbraw/zinc/72/06/65/766720665.db2.gz OUVSTZWBDIALOW-JKSUJKDBSA-N 1 1 342.447 0.503 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cc(C4CC4)no3)CC2)C1 ZINC001046035468 766721125 /nfs/dbraw/zinc/72/11/25/766721125.db2.gz MIDKPIOJQYHLKA-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(F)CCOCC3)CC2)C1 ZINC001046036000 766723995 /nfs/dbraw/zinc/72/39/95/766723995.db2.gz YFHRXCPULBFWON-OAHLLOKOSA-N 1 1 325.428 0.910 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)C1 ZINC001046036149 766724413 /nfs/dbraw/zinc/72/44/13/766724413.db2.gz BFUPCLMBQWGPIB-VQIMIIECSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2nc(C)sc2C)C1 ZINC000994756211 766725041 /nfs/dbraw/zinc/72/50/41/766725041.db2.gz VRJDPRKBFQHLGA-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2nc(C)sc2C)C1 ZINC000994756211 766725044 /nfs/dbraw/zinc/72/50/44/766725044.db2.gz VRJDPRKBFQHLGA-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001046036489 766726520 /nfs/dbraw/zinc/72/65/20/766726520.db2.gz LRHMUBQXMZCBEC-OALUTQOASA-N 1 1 346.519 0.959 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4n3CCC4)CC2)C1 ZINC001046036487 766727388 /nfs/dbraw/zinc/72/73/88/766727388.db2.gz LOFYTELHLNLKQV-OAHLLOKOSA-N 1 1 327.432 0.295 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC001046036366 766727531 /nfs/dbraw/zinc/72/75/31/766727531.db2.gz ICTOBJJKBCUEMI-AWEZNQCLSA-N 1 1 331.420 0.294 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)C1 ZINC001046036719 766728624 /nfs/dbraw/zinc/72/86/24/766728624.db2.gz NZCVCHRLRBTXCL-QFBILLFUSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC#CC)C2)CC1 ZINC001046036963 766729733 /nfs/dbraw/zinc/72/97/33/766729733.db2.gz QRHVQFAMCSCITD-OALUTQOASA-N 1 1 342.487 0.326 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3snnc3C3CC3)CC2)C1 ZINC001046036794 766729782 /nfs/dbraw/zinc/72/97/82/766729782.db2.gz GFNKPNMSGMYBBW-AWEZNQCLSA-N 1 1 345.472 0.881 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046036918 766729827 /nfs/dbraw/zinc/72/98/27/766729827.db2.gz PFJKFOJFWITLRO-IRXDYDNUSA-N 1 1 333.480 0.603 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC001046037057 766730951 /nfs/dbraw/zinc/73/09/51/766730951.db2.gz KHJWUDDBQBBSGC-OAHLLOKOSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nnc(C)n4C3)CCC[C@H]12 ZINC000992502946 766731835 /nfs/dbraw/zinc/73/18/35/766731835.db2.gz CNBPBLYGWFUNHZ-RLFYNMQTSA-N 1 1 327.432 0.895 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001077561100 766731977 /nfs/dbraw/zinc/73/19/77/766731977.db2.gz VXEGDILKFMRAJS-BRWVUGGUSA-N 1 1 337.464 0.367 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nc(CC)c[nH]3)CC2)C1 ZINC001046037329 766732119 /nfs/dbraw/zinc/73/21/19/766732119.db2.gz WQRUEBRUAQIUCQ-MRXNPFEDSA-N 1 1 331.464 0.919 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1 ZINC001046037430 766733790 /nfs/dbraw/zinc/73/37/90/766733790.db2.gz PDGZFBGLWOANJR-AWEZNQCLSA-N 1 1 331.420 0.279 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 ZINC001046037525 766734281 /nfs/dbraw/zinc/73/42/81/766734281.db2.gz ROBHIVVZYDQCHQ-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC001046039819 766743940 /nfs/dbraw/zinc/74/39/40/766743940.db2.gz YVYWOTITSGEVBZ-KRWDZBQOSA-N 1 1 342.443 0.241 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)C1 ZINC001046041940 766754023 /nfs/dbraw/zinc/75/40/23/766754023.db2.gz VCZLDUDZBJTCGU-KRWDZBQOSA-N 1 1 342.443 0.804 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3Cl)CC2)C1 ZINC001046042411 766755260 /nfs/dbraw/zinc/75/52/60/766755260.db2.gz ZJJYUFOFERXXJY-ZDUSSCGKSA-N 1 1 335.839 0.539 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC001046042793 766757754 /nfs/dbraw/zinc/75/77/54/766757754.db2.gz MXUVPHIFPGNYSX-QGZVFWFLSA-N 1 1 348.491 0.794 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]nc2CCC)C1 ZINC000994768054 766762838 /nfs/dbraw/zinc/76/28/38/766762838.db2.gz ISJAVJHOZCFXIM-INIZCTEOSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]nc2CCC)C1 ZINC000994768054 766762840 /nfs/dbraw/zinc/76/28/40/766762840.db2.gz ISJAVJHOZCFXIM-INIZCTEOSA-N 1 1 343.431 0.400 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC001046043664 766763723 /nfs/dbraw/zinc/76/37/23/766763723.db2.gz CPCIHTUILLJVTB-OAHLLOKOSA-N 1 1 330.432 0.403 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(Cl)n3C)CC2)C1 ZINC001046043916 766764401 /nfs/dbraw/zinc/76/44/01/766764401.db2.gz MXIDPXWTNBFKKN-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)n(C)n3)CC2)C1 ZINC001046044204 766766091 /nfs/dbraw/zinc/76/60/91/766766091.db2.gz KFLYDKMEOTUBMQ-OAHLLOKOSA-N 1 1 347.463 0.837 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ccon3)CC2)C1 ZINC001046044218 766766378 /nfs/dbraw/zinc/76/63/78/766766378.db2.gz RCAIIQPNEBRZAH-KRWDZBQOSA-N 1 1 330.432 0.849 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)c(=O)cn3)CC2)C1 ZINC001046045212 766770323 /nfs/dbraw/zinc/77/03/23/766770323.db2.gz DVKCSZWTBLJBCM-HNNXBMFYSA-N 1 1 345.447 0.189 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](OC)c3cnn(C)c3)CC2)C1 ZINC001046047219 766777431 /nfs/dbraw/zinc/77/74/31/766777431.db2.gz MVPKIKQTBCRYAM-IRXDYDNUSA-N 1 1 347.463 0.512 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nn(C)c3Cl)CC2)C1 ZINC001046049873 766784361 /nfs/dbraw/zinc/78/43/61/766784361.db2.gz ZDPMDZKMWNIRNR-AWEZNQCLSA-N 1 1 349.866 0.847 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)C1 ZINC001046050880 766789098 /nfs/dbraw/zinc/78/90/98/766789098.db2.gz SDCHCIOHHPWURG-HNNXBMFYSA-N 1 1 345.447 0.817 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)c3n[nH]nc3C)CC2)C1 ZINC001046051234 766790784 /nfs/dbraw/zinc/79/07/84/766790784.db2.gz ZFPYVWKDGAQWRS-HNNXBMFYSA-N 1 1 332.452 0.911 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3[nH]nnc3C)CC2)C1 ZINC001046051234 766790787 /nfs/dbraw/zinc/79/07/87/766790787.db2.gz ZFPYVWKDGAQWRS-HNNXBMFYSA-N 1 1 332.452 0.911 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)c3[nH]nnc3C)CC2)C1 ZINC001046051234 766790791 /nfs/dbraw/zinc/79/07/91/766790791.db2.gz ZFPYVWKDGAQWRS-HNNXBMFYSA-N 1 1 332.452 0.911 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@H]12 ZINC000992531337 766793636 /nfs/dbraw/zinc/79/36/36/766793636.db2.gz VFTKGTIZESRGOH-BBRMVZONSA-N 1 1 332.408 0.066 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ccc(=O)[nH]c3)CC2)C1 ZINC001046055906 766807399 /nfs/dbraw/zinc/80/73/99/766807399.db2.gz KEQYNSPNPIOKJO-KRWDZBQOSA-N 1 1 342.443 0.572 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046056051 766807666 /nfs/dbraw/zinc/80/76/66/766807666.db2.gz NQQQCZXKSQJCMC-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1 ZINC001046060329 766826902 /nfs/dbraw/zinc/82/69/02/766826902.db2.gz ASQYIKSDRSORHU-OAHLLOKOSA-N 1 1 347.463 0.924 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001046060329 766826912 /nfs/dbraw/zinc/82/69/12/766826912.db2.gz ASQYIKSDRSORHU-OAHLLOKOSA-N 1 1 347.463 0.924 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001046060329 766826920 /nfs/dbraw/zinc/82/69/20/766826920.db2.gz ASQYIKSDRSORHU-OAHLLOKOSA-N 1 1 347.463 0.924 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)cc3C)CC2)C1 ZINC001046061912 766831458 /nfs/dbraw/zinc/83/14/58/766831458.db2.gz RJKLTBZEXLHLPR-MRXNPFEDSA-N 1 1 342.443 0.951 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3[nH]c(C)nc3C)CC2)C1 ZINC001046062217 766833313 /nfs/dbraw/zinc/83/33/13/766833313.db2.gz CUDNTUSXCQEKPK-INIZCTEOSA-N 1 1 329.448 0.882 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(OC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000994790757 766833692 /nfs/dbraw/zinc/83/36/92/766833692.db2.gz BERPNSGCKLQJHP-CZUORRHYSA-N 1 1 348.447 0.459 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001046062335 766834307 /nfs/dbraw/zinc/83/43/07/766834307.db2.gz FMNULMSDHHMBRS-IKGGRYGDSA-N 1 1 346.475 0.130 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Oc3cccnc3)CC2)C1 ZINC001046062532 766835143 /nfs/dbraw/zinc/83/51/43/766835143.db2.gz WBVIPEOIVUAPMA-IAGOWNOFSA-N 1 1 342.443 0.701 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064839 766846901 /nfs/dbraw/zinc/84/69/01/766846901.db2.gz WESAPYNSJZSNRT-MRXNPFEDSA-N 1 1 333.480 0.460 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC001046067287 766858446 /nfs/dbraw/zinc/85/84/46/766858446.db2.gz WLCDBAJJYZOAQP-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC001046072543 766881645 /nfs/dbraw/zinc/88/16/45/766881645.db2.gz HUXYFANGZDOSSG-INIZCTEOSA-N 1 1 327.432 0.261 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC001046073035 766884053 /nfs/dbraw/zinc/88/40/53/766884053.db2.gz UXQDRXONNCYLJL-QGZVFWFLSA-N 1 1 341.459 0.651 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3cnn(C)c3)CC2)C1 ZINC001046075701 766900505 /nfs/dbraw/zinc/90/05/05/766900505.db2.gz XNQIXKDHLVTEOT-AEFFLSMTSA-N 1 1 343.475 0.450 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](C[C@H](C)O)C3)CC2)cn1 ZINC001046076122 766900762 /nfs/dbraw/zinc/90/07/62/766900762.db2.gz JEMWSCSPJBUDFQ-MAUKXSAKSA-N 1 1 342.443 0.276 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC001046077591 766907532 /nfs/dbraw/zinc/90/75/32/766907532.db2.gz CJIFUEOPJRBAFB-INIZCTEOSA-N 1 1 344.459 0.794 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC001046077752 766908804 /nfs/dbraw/zinc/90/88/04/766908804.db2.gz YLMBXSUVBXTMHU-MRXNPFEDSA-N 1 1 331.464 0.757 20 30 ECEDMO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001089654956 766909068 /nfs/dbraw/zinc/90/90/68/766909068.db2.gz XNDUBGHTHFNPAZ-ZIAGYGMSSA-N 1 1 346.435 0.400 20 30 ECEDMO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001089654956 766909072 /nfs/dbraw/zinc/90/90/72/766909072.db2.gz XNDUBGHTHFNPAZ-ZIAGYGMSSA-N 1 1 346.435 0.400 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)C1 ZINC001046079219 766913310 /nfs/dbraw/zinc/91/33/10/766913310.db2.gz RDLAHWMOPXNUGK-HNNXBMFYSA-N 1 1 330.432 0.701 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046080267 766915177 /nfs/dbraw/zinc/91/51/77/766915177.db2.gz DPZVDXQQALJAKV-MSOLQXFVSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CCOC)c3)CC2)C1 ZINC001046080239 766915858 /nfs/dbraw/zinc/91/58/58/766915858.db2.gz CWHCQHJJDMOPPS-KRWDZBQOSA-N 1 1 347.463 0.548 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)C1 ZINC001046082890 766922231 /nfs/dbraw/zinc/92/22/31/766922231.db2.gz XJSOBDGFMGYJNI-SFHVURJKSA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC001046082719 766922359 /nfs/dbraw/zinc/92/23/59/766922359.db2.gz VVVOZZROLNDSMY-KRWDZBQOSA-N 1 1 348.491 0.794 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC001046083081 766922916 /nfs/dbraw/zinc/92/29/16/766922916.db2.gz LBUSWBJQKSOSKK-KRWDZBQOSA-N 1 1 348.491 0.794 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccnc3N(C)C)CC2)C1 ZINC001046084783 766926002 /nfs/dbraw/zinc/92/60/02/766926002.db2.gz UJAPRROSDAVODS-INIZCTEOSA-N 1 1 341.459 0.613 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC001046086674 766929723 /nfs/dbraw/zinc/92/97/23/766929723.db2.gz JXKUQPKFCXMVEA-DLBZAZTESA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(COC)s3)CC2)C1 ZINC001046090499 766932314 /nfs/dbraw/zinc/93/23/14/766932314.db2.gz WUNSJWCYOXZCKU-AWEZNQCLSA-N 1 1 348.472 0.755 20 30 ECEDMO C#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CO2 ZINC001053826630 766951892 /nfs/dbraw/zinc/95/18/92/766951892.db2.gz GKSBYZYKTNLRIX-RDJZCZTQSA-N 1 1 347.459 0.223 20 30 ECEDMO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001089670524 766975306 /nfs/dbraw/zinc/97/53/06/766975306.db2.gz KFAGQXMBWADSQV-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(C3CC3)o2)C1 ZINC001031740695 766985610 /nfs/dbraw/zinc/98/56/10/766985610.db2.gz IZFACWQNJKAOEW-HNNXBMFYSA-N 1 1 343.431 0.593 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(C3CC3)o2)C1 ZINC001031740695 766985616 /nfs/dbraw/zinc/98/56/16/766985616.db2.gz IZFACWQNJKAOEW-HNNXBMFYSA-N 1 1 343.431 0.593 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2noc(C(C)C)n2)C1 ZINC001031741399 766985764 /nfs/dbraw/zinc/98/57/64/766985764.db2.gz YOSMZDLNVMIEMU-HNNXBMFYSA-N 1 1 345.447 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2noc(C(C)C)n2)C1 ZINC001031741399 766985768 /nfs/dbraw/zinc/98/57/68/766985768.db2.gz YOSMZDLNVMIEMU-HNNXBMFYSA-N 1 1 345.447 0.839 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)c1 ZINC001083765280 766995650 /nfs/dbraw/zinc/99/56/50/766995650.db2.gz WOIGTMFWUUMHIC-SJORKVTESA-N 1 1 329.400 0.407 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2O)c1 ZINC001083765280 766995656 /nfs/dbraw/zinc/99/56/56/766995656.db2.gz WOIGTMFWUUMHIC-SJORKVTESA-N 1 1 329.400 0.407 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C)C1 ZINC001040879835 767001254 /nfs/dbraw/zinc/00/12/54/767001254.db2.gz IZNSJZOLMWOQRK-KBXCAEBGSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C)C1 ZINC001040879835 767001261 /nfs/dbraw/zinc/00/12/61/767001261.db2.gz IZNSJZOLMWOQRK-KBXCAEBGSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnsn3)C2)C1=O ZINC001046170014 767010160 /nfs/dbraw/zinc/01/01/60/767010160.db2.gz XSUGICABYSKKFI-SWLSCSKDSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnsn3)C2)C1=O ZINC001046170014 767010171 /nfs/dbraw/zinc/01/01/71/767010171.db2.gz XSUGICABYSKKFI-SWLSCSKDSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001046207130 767066531 /nfs/dbraw/zinc/06/65/31/767066531.db2.gz LFGHVQKJWYGJPY-YJBOKZPZSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001046207130 767066543 /nfs/dbraw/zinc/06/65/43/767066543.db2.gz LFGHVQKJWYGJPY-YJBOKZPZSA-N 1 1 345.447 0.884 20 30 ECEDMO CN(C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1)C1CC1 ZINC001046220029 767087309 /nfs/dbraw/zinc/08/73/09/767087309.db2.gz GWCOKXDBGJELQJ-QGZVFWFLSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1)C1CC1 ZINC001046220029 767087316 /nfs/dbraw/zinc/08/73/16/767087316.db2.gz GWCOKXDBGJELQJ-QGZVFWFLSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046247373 767106399 /nfs/dbraw/zinc/10/63/99/767106399.db2.gz DVCAOPWJWUVABN-AZUAARDMSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046247373 767106402 /nfs/dbraw/zinc/10/64/02/767106402.db2.gz DVCAOPWJWUVABN-AZUAARDMSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046248179 767107530 /nfs/dbraw/zinc/10/75/30/767107530.db2.gz MICFZSIUWJWOLN-IEBWSBKVSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001046279053 767122690 /nfs/dbraw/zinc/12/26/90/767122690.db2.gz CYNONQNMPKFOEA-OAGGEKHMSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001046279053 767122693 /nfs/dbraw/zinc/12/26/93/767122693.db2.gz CYNONQNMPKFOEA-OAGGEKHMSA-N 1 1 347.459 0.210 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000938824686 767122738 /nfs/dbraw/zinc/12/27/38/767122738.db2.gz HURJDMGPAYOSCK-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046288286 767129068 /nfs/dbraw/zinc/12/90/68/767129068.db2.gz NFVWNOIGXVTVAM-YOEHRIQHSA-N 1 1 328.372 0.747 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046288286 767129069 /nfs/dbraw/zinc/12/90/69/767129069.db2.gz NFVWNOIGXVTVAM-YOEHRIQHSA-N 1 1 328.372 0.747 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001089731193 767134055 /nfs/dbraw/zinc/13/40/55/767134055.db2.gz MSADMNKBXANPSR-CYBMUJFWSA-N 1 1 346.431 0.730 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001089735933 767137439 /nfs/dbraw/zinc/13/74/39/767137439.db2.gz RFRVBYMPUGJKEA-CYBMUJFWSA-N 1 1 346.435 0.007 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001046311581 767140848 /nfs/dbraw/zinc/14/08/48/767140848.db2.gz GNDXJQGUHFWBMV-HNNXBMFYSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001046311581 767140849 /nfs/dbraw/zinc/14/08/49/767140849.db2.gz GNDXJQGUHFWBMV-HNNXBMFYSA-N 1 1 345.443 0.130 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCNC3=O)C2)s1 ZINC001031749614 767146037 /nfs/dbraw/zinc/14/60/37/767146037.db2.gz XZBKXTXCRIOTDO-AWEZNQCLSA-N 1 1 332.429 0.694 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001046374765 767178891 /nfs/dbraw/zinc/17/88/91/767178891.db2.gz RNFLYVDCKHDHFM-KDOFPFPSSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001046374765 767178892 /nfs/dbraw/zinc/17/88/92/767178892.db2.gz RNFLYVDCKHDHFM-KDOFPFPSSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nccnc1N ZINC001089789446 767184402 /nfs/dbraw/zinc/18/44/02/767184402.db2.gz XCLCKAICNSRFST-YJNKXOJESA-N 1 1 325.416 0.865 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@H](OC)C1 ZINC001212301412 767190452 /nfs/dbraw/zinc/19/04/52/767190452.db2.gz QRFOMAFHWBTLLA-HUUCEWRRSA-N 1 1 345.403 0.590 20 30 ECEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H](OC)C1 ZINC001212309068 767199778 /nfs/dbraw/zinc/19/97/78/767199778.db2.gz MEKYQMCUGOTNPB-MGPQQGTHSA-N 1 1 347.481 0.096 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000994898857 767209883 /nfs/dbraw/zinc/20/98/83/767209883.db2.gz DSAKJCXHGRVIBD-MNOVXSKESA-N 1 1 328.380 0.098 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1 ZINC001089795815 767220491 /nfs/dbraw/zinc/22/04/91/767220491.db2.gz AYPCBMWYQWGLBD-FJIDUMEYSA-N 1 1 331.460 0.511 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCOCC2)C1 ZINC001089795818 767220702 /nfs/dbraw/zinc/22/07/02/767220702.db2.gz AYPCBMWYQWGLBD-XSLAGTTESA-N 1 1 331.460 0.511 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@H](OC)C1 ZINC001212340166 767262589 /nfs/dbraw/zinc/26/25/89/767262589.db2.gz DWKQSBIYQSPKKV-HUUCEWRRSA-N 1 1 345.403 0.590 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001046507072 767268164 /nfs/dbraw/zinc/26/81/64/767268164.db2.gz GFNJLNXOUBKKMJ-MRXNPFEDSA-N 1 1 327.392 0.828 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(OC)ncn1 ZINC001089816439 767287389 /nfs/dbraw/zinc/28/73/89/767287389.db2.gz OIJLQJAABIBVCK-NHIYQJMISA-N 1 1 326.400 0.901 20 30 ECEDMO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001016924903 767320140 /nfs/dbraw/zinc/32/01/40/767320140.db2.gz DYLUDSRRNMKCKE-BBRMVZONSA-N 1 1 327.432 0.904 20 30 ECEDMO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001016924903 767320148 /nfs/dbraw/zinc/32/01/48/767320148.db2.gz DYLUDSRRNMKCKE-BBRMVZONSA-N 1 1 327.432 0.904 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)nc1COC ZINC001089822921 767338964 /nfs/dbraw/zinc/33/89/64/767338964.db2.gz BFAXBBDYOZKNSI-AFIMGQEJSA-N 1 1 342.443 0.982 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046588841 767340738 /nfs/dbraw/zinc/34/07/38/767340738.db2.gz RUPVLGSBSGRUAW-PBHICJAKSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046588841 767340745 /nfs/dbraw/zinc/34/07/45/767340745.db2.gz RUPVLGSBSGRUAW-PBHICJAKSA-N 1 1 345.378 0.459 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc2n1CCOC2 ZINC001089823543 767340689 /nfs/dbraw/zinc/34/06/89/767340689.db2.gz AWXSNCDADDTEJF-FZKCQIBNSA-N 1 1 340.427 0.829 20 30 ECEDMO C=CCN1CC[C@@H](N2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001046596172 767350348 /nfs/dbraw/zinc/35/03/48/767350348.db2.gz VSEQDXUUSDXBFA-APWZRJJASA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001046601004 767354402 /nfs/dbraw/zinc/35/44/02/767354402.db2.gz XYANGBCOAOTMFP-LRDDRELGSA-N 1 1 335.383 0.530 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001046601004 767354409 /nfs/dbraw/zinc/35/44/09/767354409.db2.gz XYANGBCOAOTMFP-LRDDRELGSA-N 1 1 335.383 0.530 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1OC ZINC001212345051 767361460 /nfs/dbraw/zinc/36/14/60/767361460.db2.gz YPJQEHOALAWGBP-ARFHVFGLSA-N 1 1 336.436 0.416 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cc(C)ncc1C#N ZINC001106147772 767373599 /nfs/dbraw/zinc/37/35/99/767373599.db2.gz XKJXRYNWPYFXEF-RDJZCZTQSA-N 1 1 345.447 0.447 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001046619479 767374748 /nfs/dbraw/zinc/37/47/48/767374748.db2.gz SSTSCZCMUOGETK-GOSISDBHSA-N 1 1 330.432 0.741 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCCC1=O ZINC001089831353 767394991 /nfs/dbraw/zinc/39/49/91/767394991.db2.gz KXLWQPPNCGMCET-NXOAAHMSSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCCNC2=O)C1 ZINC001089832357 767395849 /nfs/dbraw/zinc/39/58/49/767395849.db2.gz USXHMWURAZKQAK-QAETUUGQSA-N 1 1 344.459 0.594 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC001089832047 767396236 /nfs/dbraw/zinc/39/62/36/767396236.db2.gz RFAUZDBCJBVZKQ-JONQDZQNSA-N 1 1 330.432 0.204 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1CNCC#N ZINC001106156708 767401233 /nfs/dbraw/zinc/40/12/33/767401233.db2.gz LTZOKTJQFAFKOH-IOASZLSFSA-N 1 1 330.436 0.998 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1CNCC#N ZINC001106156708 767401240 /nfs/dbraw/zinc/40/12/40/767401240.db2.gz LTZOKTJQFAFKOH-IOASZLSFSA-N 1 1 330.436 0.998 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001106157221 767417219 /nfs/dbraw/zinc/41/72/19/767417219.db2.gz BHFRHSCMVYUNNI-GJZGRUSLSA-N 1 1 346.435 0.420 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H](CC)OC)C3)C2)nn1 ZINC001053949470 767431571 /nfs/dbraw/zinc/43/15/71/767431571.db2.gz IHKVQLXQVYURKJ-UONOGXRCSA-N 1 1 349.435 0.462 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1nnnc1C(C)C)CO2 ZINC001053949580 767433257 /nfs/dbraw/zinc/43/32/57/767433257.db2.gz LBFWUCVHYPAWHK-ZDUSSCGKSA-N 1 1 334.424 0.332 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2COC3(C[NH+](CC4CC4)C3)C2)nn1 ZINC001053950638 767435198 /nfs/dbraw/zinc/43/51/98/767435198.db2.gz GCDCXSXVORCVRE-CQSZACIVSA-N 1 1 331.420 0.837 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CCN([C@H](C)C(N)=O)CC3)CC1 ZINC001016984072 767437888 /nfs/dbraw/zinc/43/78/88/767437888.db2.gz BXVQTPYCWHCQIJ-ZBFHGGJFSA-N 1 1 346.475 0.176 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001106169789 767478761 /nfs/dbraw/zinc/47/87/61/767478761.db2.gz LVZWJOYXKGWSOD-HIFRSBDPSA-N 1 1 346.435 0.358 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001017038543 767494982 /nfs/dbraw/zinc/49/49/82/767494982.db2.gz KFEYMPQMNNZAAS-GRTSSRMGSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccncn3)C2)C1=O ZINC001046709974 767523689 /nfs/dbraw/zinc/52/36/89/767523689.db2.gz SMJQSICXNJJDOZ-RHSMWYFYSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccncn3)C2)C1=O ZINC001046709974 767523690 /nfs/dbraw/zinc/52/36/90/767523690.db2.gz SMJQSICXNJJDOZ-RHSMWYFYSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ncccn3)C2)C1=O ZINC001046721115 767541311 /nfs/dbraw/zinc/54/13/11/767541311.db2.gz IGWMJTMPVRSSGQ-CXAGYDPISA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ncccn3)C2)C1=O ZINC001046721115 767541315 /nfs/dbraw/zinc/54/13/15/767541315.db2.gz IGWMJTMPVRSSGQ-CXAGYDPISA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(CCOC)c1)CO2 ZINC001053996610 767555513 /nfs/dbraw/zinc/55/55/13/767555513.db2.gz OLPQWJQHWOFYBV-OAHLLOKOSA-N 1 1 334.420 0.679 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@@H]1CCNC1=O ZINC001017107424 767596287 /nfs/dbraw/zinc/59/62/87/767596287.db2.gz RWKWIBHAMVBISL-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001017109225 767600676 /nfs/dbraw/zinc/60/06/76/767600676.db2.gz HAXPDHLIOVBGGY-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nncn3C1)CO2 ZINC001054017362 767608888 /nfs/dbraw/zinc/60/88/88/767608888.db2.gz XSGSNEFMODMCFP-ZIAGYGMSSA-N 1 1 331.420 0.376 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(N)=O)nc1)CO2 ZINC001054024752 767624060 /nfs/dbraw/zinc/62/40/60/767624060.db2.gz XURCKYPZMPRDPE-ZDUSSCGKSA-N 1 1 330.388 0.330 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001060476337 767686726 /nfs/dbraw/zinc/68/67/26/767686726.db2.gz CRVKGZHKBDYWEJ-HSMHQDCBSA-N 1 1 326.404 0.097 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)c[nH]1 ZINC001054118534 767705907 /nfs/dbraw/zinc/70/59/07/767705907.db2.gz KJGRUQMTIZSELX-QAPCUYQASA-N 1 1 341.415 0.703 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001054118292 767706547 /nfs/dbraw/zinc/70/65/47/767706547.db2.gz FHPMDRGXIHZEEH-YVEFUNNKSA-N 1 1 329.404 0.688 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001054155132 767750206 /nfs/dbraw/zinc/75/02/06/767750206.db2.gz KJPOKSPTNGRHHC-INIZCTEOSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001054155132 767750208 /nfs/dbraw/zinc/75/02/08/767750208.db2.gz KJPOKSPTNGRHHC-INIZCTEOSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCCS1(=O)=O)C2 ZINC001054170277 767766467 /nfs/dbraw/zinc/76/64/67/767766467.db2.gz DQKKZDPRQPXCJK-DOTOQJQBSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCCS1(=O)=O)C2 ZINC001054170277 767766470 /nfs/dbraw/zinc/76/64/70/767766470.db2.gz DQKKZDPRQPXCJK-DOTOQJQBSA-N 1 1 338.473 0.901 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)c1 ZINC001054193633 767792902 /nfs/dbraw/zinc/79/29/02/767792902.db2.gz BJARBJLEWFERNI-GOSISDBHSA-N 1 1 326.400 0.476 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCS(=O)(=O)C1)C2 ZINC001054206176 767802586 /nfs/dbraw/zinc/80/25/86/767802586.db2.gz GKVLXFCSSLBOPH-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCS(=O)(=O)C1)C2 ZINC001054206176 767802593 /nfs/dbraw/zinc/80/25/93/767802593.db2.gz GKVLXFCSSLBOPH-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001054214986 767813755 /nfs/dbraw/zinc/81/37/55/767813755.db2.gz JCOZGPIHXMABMJ-QGZVFWFLSA-N 1 1 334.420 0.429 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001054236654 767845782 /nfs/dbraw/zinc/84/57/82/767845782.db2.gz LQOXBXZPSOJPPG-KBXCAEBGSA-N 1 1 348.447 0.865 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nn1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001127346859 768370327 /nfs/dbraw/zinc/37/03/27/768370327.db2.gz GRXZPTFHZOAWSI-CQSZACIVSA-N 1 1 346.435 0.577 20 30 ECEDMO C=CCN1CC[C@@H](N(C)S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C1=O ZINC000915199974 768380711 /nfs/dbraw/zinc/38/07/11/768380711.db2.gz VANQMEZMSYDMQE-ZBFHGGJFSA-N 1 1 341.477 0.521 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)[C@@H](O)C1 ZINC001083731480 768416121 /nfs/dbraw/zinc/41/61/21/768416121.db2.gz AMGOAGWSTZGVIZ-OIISXLGYSA-N 1 1 332.448 0.881 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccnc(C#N)n2)C1 ZINC001106540103 768419927 /nfs/dbraw/zinc/41/99/27/768419927.db2.gz WQMOJTGZWALHBD-KGLIPLIRSA-N 1 1 346.435 0.186 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccnc(C#N)n2)C1 ZINC001106540103 768419929 /nfs/dbraw/zinc/41/99/29/768419929.db2.gz WQMOJTGZWALHBD-KGLIPLIRSA-N 1 1 346.435 0.186 20 30 ECEDMO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001106568194 768445408 /nfs/dbraw/zinc/44/54/08/768445408.db2.gz DTACSNLVXCALDW-CYBMUJFWSA-N 1 1 330.436 0.809 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CCN1CCNC1=O ZINC000993236388 768630204 /nfs/dbraw/zinc/63/02/04/768630204.db2.gz PWTKHFBJCSDDOG-GXTWGEPZSA-N 1 1 344.419 0.494 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001018054402 768665720 /nfs/dbraw/zinc/66/57/20/768665720.db2.gz JBTLAKOWNXSSRX-GIIQZNHOSA-N 1 1 332.404 0.226 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001018054402 768665725 /nfs/dbraw/zinc/66/57/25/768665725.db2.gz JBTLAKOWNXSSRX-GIIQZNHOSA-N 1 1 332.404 0.226 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268664 768725398 /nfs/dbraw/zinc/72/53/98/768725398.db2.gz OQCKMTMPSORUTK-NXOAAHMSSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268664 768725401 /nfs/dbraw/zinc/72/54/01/768725401.db2.gz OQCKMTMPSORUTK-NXOAAHMSSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001055313853 768770213 /nfs/dbraw/zinc/77/02/13/768770213.db2.gz FMPWSWQGTLLRIW-RUEZSYAVSA-N 1 1 349.475 0.571 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001055328822 768786101 /nfs/dbraw/zinc/78/61/01/768786101.db2.gz DIERMQWHJODAEQ-WCXIOVBPSA-N 1 1 331.460 0.760 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055340176 768797563 /nfs/dbraw/zinc/79/75/63/768797563.db2.gz OHWPSMWKQWGYOP-BPKGMFCQSA-N 1 1 347.459 0.282 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001055379615 768836510 /nfs/dbraw/zinc/83/65/10/768836510.db2.gz LNLUBXXYUNFQQR-YESZJQIVSA-N 1 1 349.475 0.838 20 30 ECEDMO COCC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001099263877 768878061 /nfs/dbraw/zinc/87/80/61/768878061.db2.gz JZBKZDHNGLFPBB-CQSZACIVSA-N 1 1 333.436 0.685 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001099263877 768878069 /nfs/dbraw/zinc/87/80/69/768878069.db2.gz JZBKZDHNGLFPBB-CQSZACIVSA-N 1 1 333.436 0.685 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993397096 768959286 /nfs/dbraw/zinc/95/92/86/768959286.db2.gz PJFDCECXHATDKX-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO Cc1cc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)on1 ZINC001055516269 768988640 /nfs/dbraw/zinc/98/86/40/768988640.db2.gz DUFXHWMLDXRFKR-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO CS[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055528916 769011945 /nfs/dbraw/zinc/01/19/45/769011945.db2.gz KFIPOBKHWDDIDB-RYUDHWBXSA-N 1 1 326.466 0.594 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(c2cnc(C#N)cn2)C3)C1 ZINC001055535131 769039854 /nfs/dbraw/zinc/03/98/54/769039854.db2.gz RSXWKPFMDCQUBJ-GLJUWKHASA-N 1 1 340.431 0.775 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001042075216 782716716 /nfs/dbraw/zinc/71/67/16/782716716.db2.gz AWFZTZOFHCKYON-LSDHHAIUSA-N 1 1 344.463 0.917 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)c3ccn[nH]3)CCCO2)C1=O ZINC001078344319 782717593 /nfs/dbraw/zinc/71/75/93/782717593.db2.gz MTXHFIAJCKFLAE-KBPBESRZSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cn(C)nn2)CC1 ZINC001055569993 769141360 /nfs/dbraw/zinc/14/13/60/769141360.db2.gz BXBKVVKBQREXJA-UHFFFAOYSA-N 1 1 348.451 0.482 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)C[C@H]21 ZINC001042079521 782724382 /nfs/dbraw/zinc/72/43/82/782724382.db2.gz DUHQWGHVCSMPSG-RHSMWYFYSA-N 1 1 341.411 0.720 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2ncc[nH]2)CC1 ZINC001055572983 769151518 /nfs/dbraw/zinc/15/15/18/769151518.db2.gz MUIWCRNNHQXJSE-UHFFFAOYSA-N 1 1 331.420 0.380 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055578926 769176158 /nfs/dbraw/zinc/17/61/58/769176158.db2.gz ZYCKCJHMFKHIDK-HNNXBMFYSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055578926 769176164 /nfs/dbraw/zinc/17/61/64/769176164.db2.gz ZYCKCJHMFKHIDK-HNNXBMFYSA-N 1 1 336.480 0.601 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)CC1 ZINC001018357872 769182499 /nfs/dbraw/zinc/18/24/99/769182499.db2.gz IZVNJONXMCBIFW-DLBZAZTESA-N 1 1 347.459 0.429 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cocn3)C2)CC1 ZINC001018363012 769200117 /nfs/dbraw/zinc/20/01/17/769200117.db2.gz JOAHCOMIQPMGEU-HNNXBMFYSA-N 1 1 344.415 0.694 20 30 ECEDMO Cc1nonc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC001055596195 769216256 /nfs/dbraw/zinc/21/62/56/769216256.db2.gz XCFXQAUTIOVPSA-UHFFFAOYSA-N 1 1 347.419 0.348 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cn[nH]n3)C2)CC1 ZINC001018370017 769223750 /nfs/dbraw/zinc/22/37/50/769223750.db2.gz PIZXPTBTTIULTM-AWEZNQCLSA-N 1 1 346.435 0.377 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)CC1 ZINC001018370019 769223841 /nfs/dbraw/zinc/22/38/41/769223841.db2.gz PIZXPTBTTIULTM-CQSZACIVSA-N 1 1 346.435 0.377 20 30 ECEDMO C=CCN1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001018391080 769275350 /nfs/dbraw/zinc/27/53/50/769275350.db2.gz BUFCRDCKYDFRLQ-DLBZAZTESA-N 1 1 348.491 0.507 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2cnns2)CC1 ZINC001055630298 769299549 /nfs/dbraw/zinc/29/95/49/769299549.db2.gz YXAVWFVKWFGYET-JTQLQIEISA-N 1 1 336.421 0.008 20 30 ECEDMO Cc1noc(C(=O)NC2CC[NH+](CCNC(=O)[C@@H](C)C#N)CC2)c1C ZINC001055631242 769301495 /nfs/dbraw/zinc/30/14/95/769301495.db2.gz DEVNOJGCZLRMIZ-NSHDSACASA-N 1 1 347.419 0.762 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055632513 769308921 /nfs/dbraw/zinc/30/89/21/769308921.db2.gz WTXGAVQSYHWWQE-SQWLQELKSA-N 1 1 349.479 0.183 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055632513 769308934 /nfs/dbraw/zinc/30/89/34/769308934.db2.gz WTXGAVQSYHWWQE-SQWLQELKSA-N 1 1 349.479 0.183 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@H]1C ZINC000993557990 769314105 /nfs/dbraw/zinc/31/41/05/769314105.db2.gz VRHRTMCELZMFJB-GDBMZVCRSA-N 1 1 331.416 0.711 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2ccnnc2)CC1 ZINC001055653673 769347615 /nfs/dbraw/zinc/34/76/15/769347615.db2.gz OUJXJQCXKNXZMU-UHFFFAOYSA-N 1 1 343.431 0.446 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H]1C ZINC000993603307 769349316 /nfs/dbraw/zinc/34/93/16/769349316.db2.gz MNJBSOXQIPYDJE-JSGCOSHPSA-N 1 1 326.404 0.969 20 30 ECEDMO CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1 ZINC001078358548 782768403 /nfs/dbraw/zinc/76/84/03/782768403.db2.gz RJKIWZXJDDUTGQ-TZMCWYRMSA-N 1 1 334.424 0.473 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1C ZINC001078360011 782771314 /nfs/dbraw/zinc/77/13/14/782771314.db2.gz JPMSLQXAIIHMHD-UONOGXRCSA-N 1 1 348.451 0.805 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042104688 782777570 /nfs/dbraw/zinc/77/75/70/782777570.db2.gz RFBMYOASUFQBBV-HNNXBMFYSA-N 1 1 335.448 0.539 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C ZINC000993898021 769805030 /nfs/dbraw/zinc/80/50/30/769805030.db2.gz DZCYEUUSIFMCOY-JSGCOSHPSA-N 1 1 334.420 0.243 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000993907644 769863087 /nfs/dbraw/zinc/86/30/87/769863087.db2.gz HOMMYBHHDTXLKN-HZSPNIEDSA-N 1 1 343.431 0.662 20 30 ECEDMO C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H]1C ZINC000993921348 769884514 /nfs/dbraw/zinc/88/45/14/769884514.db2.gz XBMVBFGSUMPKBL-DZGCQCFKSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H]1C ZINC000993921348 769884530 /nfs/dbraw/zinc/88/45/30/769884530.db2.gz XBMVBFGSUMPKBL-DZGCQCFKSA-N 1 1 326.462 0.804 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1C ZINC000993921263 769884564 /nfs/dbraw/zinc/88/45/64/769884564.db2.gz WFZDBSMTYUAWGQ-ZIAGYGMSSA-N 1 1 344.419 0.436 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1C ZINC000993921847 769886497 /nfs/dbraw/zinc/88/64/97/769886497.db2.gz YQULJLGWIVZDFZ-ZIAGYGMSSA-N 1 1 344.419 0.436 20 30 ECEDMO C=C(C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055837542 769919172 /nfs/dbraw/zinc/91/91/72/769919172.db2.gz NMRXSKSXMKNVEV-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055838811 769922934 /nfs/dbraw/zinc/92/29/34/769922934.db2.gz VXRLBZDJVDUXLO-LPHOPBHVSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055838812 769923050 /nfs/dbraw/zinc/92/30/50/769923050.db2.gz VXRLBZDJVDUXLO-QFBILLFUSA-N 1 1 349.475 0.744 20 30 ECEDMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCCO2)n1 ZINC001078368961 782793245 /nfs/dbraw/zinc/79/32/45/782793245.db2.gz FIGPAHYFBAIADE-CQSZACIVSA-N 1 1 343.391 0.036 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H]1C ZINC000993990088 769970623 /nfs/dbraw/zinc/97/06/23/769970623.db2.gz QHKNYXXEUROIPP-LSDHHAIUSA-N 1 1 346.435 0.171 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCCO2)[nH]1 ZINC001078370420 782795088 /nfs/dbraw/zinc/79/50/88/782795088.db2.gz WNUNWMMQSBHDEO-CYBMUJFWSA-N 1 1 343.391 0.334 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCO[C@H](C[NH2+]Cc3ncccn3)C2)c1 ZINC001078374215 782799885 /nfs/dbraw/zinc/79/98/85/782799885.db2.gz UMEHFWFXUUHEPI-CQSZACIVSA-N 1 1 340.387 0.697 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@H]21 ZINC001042118633 782801489 /nfs/dbraw/zinc/80/14/89/782801489.db2.gz XTZZSXUTIWENSN-GOEBONIOSA-N 1 1 328.416 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](C)OC)C2)C1 ZINC001018844503 770074228 /nfs/dbraw/zinc/07/42/28/770074228.db2.gz FAPVSDNLMHRHOL-GJZGRUSLSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](C)OC)C2)C1 ZINC001018844503 770074241 /nfs/dbraw/zinc/07/42/41/770074241.db2.gz FAPVSDNLMHRHOL-GJZGRUSLSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@@H]21 ZINC001042120153 782803956 /nfs/dbraw/zinc/80/39/56/782803956.db2.gz PHSVWGAJMHLFJH-AAEUAGOBSA-N 1 1 339.417 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001042116183 782798776 /nfs/dbraw/zinc/79/87/76/782798776.db2.gz IMYLMMNCCZQZPX-WBVHZDCISA-N 1 1 340.427 0.669 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H]1C ZINC000994089121 770117221 /nfs/dbraw/zinc/11/72/21/770117221.db2.gz DTZUAXRLEDFRFP-CVEARBPZSA-N 1 1 330.432 0.853 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001055906466 770168101 /nfs/dbraw/zinc/16/81/01/770168101.db2.gz KGOZQAGILPSFEP-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1 ZINC001078382654 782816679 /nfs/dbraw/zinc/81/66/79/782816679.db2.gz FXQXNPTUVYPCHU-ZDUSSCGKSA-N 1 1 343.391 0.036 20 30 ECEDMO N#Cc1nccnc1N1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001055928285 770250576 /nfs/dbraw/zinc/25/05/76/770250576.db2.gz PVYXHXJYDWGUPU-CQSZACIVSA-N 1 1 337.387 0.771 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3ncccn3)C2)c[nH]1 ZINC001078384279 782821032 /nfs/dbraw/zinc/82/10/32/782821032.db2.gz RXZBCVZFBJNPMM-HNNXBMFYSA-N 1 1 340.387 0.697 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCO[C@H](C[NH2+]Cc3ncccn3)C2)c[nH]1 ZINC001078384280 782821305 /nfs/dbraw/zinc/82/13/05/782821305.db2.gz RXZBCVZFBJNPMM-OAHLLOKOSA-N 1 1 340.387 0.697 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938308 770288182 /nfs/dbraw/zinc/28/81/82/770288182.db2.gz BYAWEZUVUDRDDT-SFHVURJKSA-N 1 1 344.415 0.075 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)COC)CC1 ZINC001060644760 770292823 /nfs/dbraw/zinc/29/28/23/770292823.db2.gz RNNZIMWMYCFKMI-JYJNAYRXSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)COC)CC1 ZINC001060644760 770292827 /nfs/dbraw/zinc/29/28/27/770292827.db2.gz RNNZIMWMYCFKMI-JYJNAYRXSA-N 1 1 335.448 0.522 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)[C@H]2C)cn1 ZINC000994245782 770407645 /nfs/dbraw/zinc/40/76/45/770407645.db2.gz XYYVOWAFWLGGBL-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@H]2C)cn1 ZINC000994245782 770407654 /nfs/dbraw/zinc/40/76/54/770407654.db2.gz XYYVOWAFWLGGBL-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)[C@H]2C)cn1 ZINC000994252475 770440686 /nfs/dbraw/zinc/44/06/86/770440686.db2.gz PIMHJTKLZRGGQT-YOEHRIQHSA-N 1 1 338.415 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2csnn2)C1 ZINC001018986288 770486758 /nfs/dbraw/zinc/48/67/58/770486758.db2.gz XNTBCCHDYAEUHB-IPYPFGDCSA-N 1 1 333.461 0.887 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2csnn2)C1 ZINC001018986288 770486764 /nfs/dbraw/zinc/48/67/64/770486764.db2.gz XNTBCCHDYAEUHB-IPYPFGDCSA-N 1 1 333.461 0.887 20 30 ECEDMO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106874425 770502602 /nfs/dbraw/zinc/50/26/02/770502602.db2.gz HRHZUEUZITZRFE-CHWSQXEVSA-N 1 1 346.435 0.011 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)COc3c(C)occc3=O)C[C@H]21 ZINC001042142376 782843140 /nfs/dbraw/zinc/84/31/40/782843140.db2.gz NWZRFKSUQVGCMZ-HUUCEWRRSA-N 1 1 330.384 0.883 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COc3c(C)occc3=O)C[C@H]21 ZINC001042142376 782843148 /nfs/dbraw/zinc/84/31/48/782843148.db2.gz NWZRFKSUQVGCMZ-HUUCEWRRSA-N 1 1 330.384 0.883 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001056020653 770578334 /nfs/dbraw/zinc/57/83/34/770578334.db2.gz UWWZDQCUJLGSTG-HIFRSBDPSA-N 1 1 342.447 0.757 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@@H]21 ZINC001042152666 782858773 /nfs/dbraw/zinc/85/87/73/782858773.db2.gz OUXBTDDIXVXYFW-HIFRSBDPSA-N 1 1 329.400 0.943 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)CC[N@H+]1C ZINC001056054598 770691331 /nfs/dbraw/zinc/69/13/31/770691331.db2.gz DYRXUCQWQJLLCJ-UONOGXRCSA-N 1 1 328.420 0.727 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1C ZINC000994408239 770752327 /nfs/dbraw/zinc/75/23/27/770752327.db2.gz DPDJSSVDMYPIJP-LSDHHAIUSA-N 1 1 343.493 0.262 20 30 ECEDMO C=CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001056084901 770794878 /nfs/dbraw/zinc/79/48/78/770794878.db2.gz BALWEIRLVLEZFZ-MAUKXSAKSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@H]1C ZINC000994429026 770795199 /nfs/dbraw/zinc/79/51/99/770795199.db2.gz LJJVKMJMWNXBFB-KGLIPLIRSA-N 1 1 326.404 0.659 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@H]21 ZINC001042163296 782877636 /nfs/dbraw/zinc/87/76/36/782877636.db2.gz RGVITXYWWPKXHL-XJKSGUPXSA-N 1 1 339.403 0.780 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cocn1)C2 ZINC001019142796 770913813 /nfs/dbraw/zinc/91/38/13/770913813.db2.gz ABXJUBRXFHIDIN-HNNXBMFYSA-N 1 1 342.399 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cocn1)C2 ZINC001019142796 770913823 /nfs/dbraw/zinc/91/38/23/770913823.db2.gz ABXJUBRXFHIDIN-HNNXBMFYSA-N 1 1 342.399 0.447 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cn[nH]c1)C2 ZINC001019143574 770916478 /nfs/dbraw/zinc/91/64/78/770916478.db2.gz PRTTWYMQWINECJ-HNNXBMFYSA-N 1 1 341.415 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cn[nH]c1)C2 ZINC001019143574 770916483 /nfs/dbraw/zinc/91/64/83/770916483.db2.gz PRTTWYMQWINECJ-HNNXBMFYSA-N 1 1 341.415 0.182 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccccc3C#N)C2)C1 ZINC001031417838 771029743 /nfs/dbraw/zinc/02/97/43/771029743.db2.gz CWQHGEWQFPPBLM-KRWDZBQOSA-N 1 1 328.416 0.579 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccccc3C#N)C2)C1 ZINC001031417838 771029750 /nfs/dbraw/zinc/02/97/50/771029750.db2.gz CWQHGEWQFPPBLM-KRWDZBQOSA-N 1 1 328.416 0.579 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001031420290 771033340 /nfs/dbraw/zinc/03/33/40/771033340.db2.gz MOZYKBRJRFTARH-KRWDZBQOSA-N 1 1 346.406 0.718 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001031420290 771033347 /nfs/dbraw/zinc/03/33/47/771033347.db2.gz MOZYKBRJRFTARH-KRWDZBQOSA-N 1 1 346.406 0.718 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001056302511 771094684 /nfs/dbraw/zinc/09/46/84/771094684.db2.gz UOBDMOKAXLNCHU-DLTWYDFYSA-N 1 1 340.431 0.772 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056314227 771111075 /nfs/dbraw/zinc/11/10/75/771111075.db2.gz LHCCFFFQWRKASJ-ARFHVFGLSA-N 1 1 335.448 0.875 20 30 ECEDMO N#Cc1nccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001056322631 771124211 /nfs/dbraw/zinc/12/42/11/771124211.db2.gz XAUFIROSFVOEHB-FIRUKDTASA-N 1 1 349.398 0.673 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC(C)(C)C1 ZINC001089424160 771126284 /nfs/dbraw/zinc/12/62/84/771126284.db2.gz SCEAXHURFDYUFJ-KBPBESRZSA-N 1 1 345.447 0.786 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089432534 771161455 /nfs/dbraw/zinc/16/14/55/771161455.db2.gz BSVDLQSTCIMFRS-CYBMUJFWSA-N 1 1 334.420 0.742 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C[N@H+](C)CCC ZINC001056402243 771227817 /nfs/dbraw/zinc/22/78/17/771227817.db2.gz OAHNJOBDVYOEBR-BRWVUGGUSA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001056412939 771245333 /nfs/dbraw/zinc/24/53/33/771245333.db2.gz OBGMVOFRYQRTHC-ANRZDRKOSA-N 1 1 325.416 0.988 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCOCCNc1ccncc1C#N ZINC001127472606 771300795 /nfs/dbraw/zinc/30/07/95/771300795.db2.gz QPEYGPHTZLVDGD-GOEBONIOSA-N 1 1 345.447 0.460 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127472783 771301755 /nfs/dbraw/zinc/30/17/55/771301755.db2.gz UIKLNVSFKZWBAL-UKRRQHHQSA-N 1 1 346.435 0.433 20 30 ECEDMO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031578188 771324944 /nfs/dbraw/zinc/32/49/44/771324944.db2.gz HEULYSMGGUVTBW-IRXDYDNUSA-N 1 1 326.396 0.895 20 30 ECEDMO COC(=O)[C@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031580305 771332022 /nfs/dbraw/zinc/33/20/22/771332022.db2.gz VGCWTZZLZCKYSR-CVEARBPZSA-N 1 1 327.384 0.915 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC(C)(C)C1 ZINC001089565689 771520859 /nfs/dbraw/zinc/52/08/59/771520859.db2.gz XCNZQNSZROCUPA-CYBMUJFWSA-N 1 1 348.451 0.560 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCCOCC3)C2)C1=O ZINC001031641604 771574976 /nfs/dbraw/zinc/57/49/76/771574976.db2.gz VPGIBDNADRKWHN-CVEARBPZSA-N 1 1 335.448 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCCO1 ZINC001019611148 771592229 /nfs/dbraw/zinc/59/22/29/771592229.db2.gz BYVUOZYMKIXQAF-TWMKSMIVSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCCO1 ZINC001019611148 771592234 /nfs/dbraw/zinc/59/22/34/771592234.db2.gz BYVUOZYMKIXQAF-TWMKSMIVSA-N 1 1 347.459 0.474 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001019617151 771603308 /nfs/dbraw/zinc/60/33/08/771603308.db2.gz OUEBYMPAMDEZCY-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019673579 771702691 /nfs/dbraw/zinc/70/26/91/771702691.db2.gz ZPPUVMPYEAPFKJ-LBPRGKRZSA-N 1 1 327.344 0.481 20 30 ECEDMO CN(c1ncccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001056879326 771755603 /nfs/dbraw/zinc/75/56/03/771755603.db2.gz AORDUIAYNSXUFD-CABCVRRESA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ncccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001056879326 771755604 /nfs/dbraw/zinc/75/56/04/771755604.db2.gz AORDUIAYNSXUFD-CABCVRRESA-N 1 1 329.404 0.321 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056880014 771757804 /nfs/dbraw/zinc/75/78/04/771757804.db2.gz RXHOLCDQHLTFDM-HUUCEWRRSA-N 1 1 344.419 0.024 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056880014 771757805 /nfs/dbraw/zinc/75/78/05/771757805.db2.gz RXHOLCDQHLTFDM-HUUCEWRRSA-N 1 1 344.419 0.024 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)nc3)C2)C1 ZINC001056930325 771821711 /nfs/dbraw/zinc/82/17/11/771821711.db2.gz HLIQKDOTBNRKSG-DLBZAZTESA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)nc3)C2)C1 ZINC001056930325 771821715 /nfs/dbraw/zinc/82/17/15/771821715.db2.gz HLIQKDOTBNRKSG-DLBZAZTESA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3ccnc(C#N)n3)C2)C1 ZINC001056930833 771822140 /nfs/dbraw/zinc/82/21/40/771822140.db2.gz WEKZEOSUCIICSO-UONOGXRCSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3ccnc(C#N)n3)C2)C1 ZINC001056930833 771822146 /nfs/dbraw/zinc/82/21/46/771822146.db2.gz WEKZEOSUCIICSO-UONOGXRCSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056940204 771837157 /nfs/dbraw/zinc/83/71/57/771837157.db2.gz NLTXHYSLPCAXER-OAHLLOKOSA-N 1 1 344.419 0.108 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 ZINC001057027615 771963434 /nfs/dbraw/zinc/96/34/34/771963434.db2.gz LVCNXYQXQHBFBT-KBPBESRZSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057027927 771963684 /nfs/dbraw/zinc/96/36/84/771963684.db2.gz SUWJWFXWSPZPGD-DZGCQCFKSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C)c(C(N)=O)cn3)C[C@H]21 ZINC001042241610 782973972 /nfs/dbraw/zinc/97/39/72/782973972.db2.gz BMSIYIZMLDCBNM-XJKSGUPXSA-N 1 1 326.400 0.659 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3cnc(C#N)cn3)C2)O1 ZINC001057062961 772020281 /nfs/dbraw/zinc/02/02/81/772020281.db2.gz URNLMWDVAUASKO-VHDGCEQUSA-N 1 1 344.419 0.104 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3cnc(C#N)cn3)C2)O1 ZINC001057062961 772020285 /nfs/dbraw/zinc/02/02/85/772020285.db2.gz URNLMWDVAUASKO-VHDGCEQUSA-N 1 1 344.419 0.104 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1C ZINC001020108947 772167590 /nfs/dbraw/zinc/16/75/90/772167590.db2.gz ZQEFMWUUGAQDPO-VGWMRTNUSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1C ZINC001020108947 772167593 /nfs/dbraw/zinc/16/75/93/772167593.db2.gz ZQEFMWUUGAQDPO-VGWMRTNUSA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001020123569 772185670 /nfs/dbraw/zinc/18/56/70/772185670.db2.gz BQVHMZMPACSTHJ-CORIIIEPSA-N 1 1 329.404 0.700 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1C ZINC001020140206 772207780 /nfs/dbraw/zinc/20/77/80/772207780.db2.gz KUCOXXBXOZXVJV-BPUTZDHNSA-N 1 1 343.431 0.155 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1C ZINC001020140206 772207784 /nfs/dbraw/zinc/20/77/84/772207784.db2.gz KUCOXXBXOZXVJV-BPUTZDHNSA-N 1 1 343.431 0.155 20 30 ECEDMO C=CCOCC(=O)N(CCO)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001057196580 772256597 /nfs/dbraw/zinc/25/65/97/772256597.db2.gz NQASMWXUTNDNDS-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCCN(c3nccnc3C#N)CC2)C1 ZINC001057234837 772319579 /nfs/dbraw/zinc/31/95/79/772319579.db2.gz RMCZZBZFYSKUDR-AWEZNQCLSA-N 1 1 328.420 0.729 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001057446834 772623801 /nfs/dbraw/zinc/62/38/01/772623801.db2.gz KKUAABAYZXFIBG-UHFFFAOYSA-N 1 1 325.453 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@@H](C)CC ZINC001057447586 772625546 /nfs/dbraw/zinc/62/55/46/772625546.db2.gz BVNRLSNRDCMXHH-HOTGVXAUSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@@H](C)CC ZINC001057447586 772625548 /nfs/dbraw/zinc/62/55/48/772625548.db2.gz BVNRLSNRDCMXHH-HOTGVXAUSA-N 1 1 337.464 0.457 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC(CNc3ccnc(C#N)n3)CC2)C1 ZINC001057506608 772695546 /nfs/dbraw/zinc/69/55/46/772695546.db2.gz YFLADLDMJOQHRU-HNNXBMFYSA-N 1 1 342.447 0.762 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC(CNc2ccnc(C#N)n2)CC1 ZINC001057528356 772722100 /nfs/dbraw/zinc/72/21/00/772722100.db2.gz NVPLOQMEWUULRG-HNNXBMFYSA-N 1 1 342.447 0.905 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057539443 772734821 /nfs/dbraw/zinc/73/48/21/772734821.db2.gz YKLFDTFCBCGQML-UHFFFAOYSA-N 1 1 339.480 0.705 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N ZINC001057570252 772766427 /nfs/dbraw/zinc/76/64/27/772766427.db2.gz LUTPQRJTAHNHAK-CABCVRRESA-N 1 1 338.452 0.346 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057599023 772795092 /nfs/dbraw/zinc/79/50/92/772795092.db2.gz OHYJCBQNRLGACE-IRXDYDNUSA-N 1 1 349.475 0.601 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001057600595 772797536 /nfs/dbraw/zinc/79/75/36/772797536.db2.gz CWRVKDFIADWFJU-HZPDHXFCSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001057600595 772797538 /nfs/dbraw/zinc/79/75/38/772797538.db2.gz CWRVKDFIADWFJU-HZPDHXFCSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001057602977 772801187 /nfs/dbraw/zinc/80/11/87/772801187.db2.gz ZKSGBSWAXLXOAP-DZGCQCFKSA-N 1 1 344.419 0.390 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001057602977 772801190 /nfs/dbraw/zinc/80/11/90/772801190.db2.gz ZKSGBSWAXLXOAP-DZGCQCFKSA-N 1 1 344.419 0.390 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057635731 772842542 /nfs/dbraw/zinc/84/25/42/772842542.db2.gz IAKLRQHBRRBPLN-ZDUSSCGKSA-N 1 1 345.871 0.654 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057717887 772940823 /nfs/dbraw/zinc/94/08/23/772940823.db2.gz BVKGZNUMBNKHJA-SJORKVTESA-N 1 1 349.475 0.600 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001057719282 772943218 /nfs/dbraw/zinc/94/32/18/772943218.db2.gz GRYIUKGNTIDVAR-CYBMUJFWSA-N 1 1 325.376 0.378 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001057791435 772987548 /nfs/dbraw/zinc/98/75/48/772987548.db2.gz POHWACKJCPYHIT-HNNXBMFYSA-N 1 1 342.447 0.941 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(c2nccnc2C#N)CC1 ZINC001057811957 773015213 /nfs/dbraw/zinc/01/52/13/773015213.db2.gz MXMLTPFXDFEJCV-HIFRSBDPSA-N 1 1 342.447 0.879 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001057845511 773063970 /nfs/dbraw/zinc/06/39/70/773063970.db2.gz KCTAIOQBNFWGEM-OAHLLOKOSA-N 1 1 347.394 0.508 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001057845511 773063971 /nfs/dbraw/zinc/06/39/71/773063971.db2.gz KCTAIOQBNFWGEM-OAHLLOKOSA-N 1 1 347.394 0.508 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001057853567 773073316 /nfs/dbraw/zinc/07/33/16/773073316.db2.gz UNZQMIQJDIFMQX-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001057863485 773088745 /nfs/dbraw/zinc/08/87/45/773088745.db2.gz UGDJEELZCIOGOZ-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)C[N@@H+](C)C(C)C ZINC001057864154 773090706 /nfs/dbraw/zinc/09/07/06/773090706.db2.gz DSZVLYVBPPZKEF-HNNXBMFYSA-N 1 1 327.469 0.866 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001057876105 773113504 /nfs/dbraw/zinc/11/35/04/773113504.db2.gz BGKTWVRYFLJXJR-CQSZACIVSA-N 1 1 334.420 0.664 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057945932 773245911 /nfs/dbraw/zinc/24/59/11/773245911.db2.gz MKJUUVLZHQDKRD-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCCC#CC ZINC001057962450 773295203 /nfs/dbraw/zinc/29/52/03/773295203.db2.gz WVXOFAYBKWEANK-KRWDZBQOSA-N 1 1 347.459 0.215 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCCC#CC ZINC001057962450 773295208 /nfs/dbraw/zinc/29/52/08/773295208.db2.gz WVXOFAYBKWEANK-KRWDZBQOSA-N 1 1 347.459 0.215 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040606831 783092756 /nfs/dbraw/zinc/09/27/56/783092756.db2.gz PBPVBSLBAQINJP-LPHOPBHVSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058038610 773402298 /nfs/dbraw/zinc/40/22/98/773402298.db2.gz ARQNVMSMGWGNGM-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001058039345 773406552 /nfs/dbraw/zinc/40/65/52/773406552.db2.gz XTFSGAZPEZRVBF-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058056042 773445780 /nfs/dbraw/zinc/44/57/80/773445780.db2.gz AEZFABIAQYWPIL-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CCN(c2nccnc2C#N)CC1 ZINC001058056357 773445848 /nfs/dbraw/zinc/44/58/48/773445848.db2.gz RRQNBFUSUVMRLG-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001058096515 773529738 /nfs/dbraw/zinc/52/97/38/773529738.db2.gz HYLQXYMOQKZXJO-ZDUSSCGKSA-N 1 1 335.408 0.069 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001058119915 773573583 /nfs/dbraw/zinc/57/35/83/773573583.db2.gz CTLUZRYKLYDSNF-ZFWWWQNUSA-N 1 1 328.420 0.836 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058163956 773674660 /nfs/dbraw/zinc/67/46/60/773674660.db2.gz DGSWPGNOBHTPTE-AWEZNQCLSA-N 1 1 325.376 0.638 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058164154 773675277 /nfs/dbraw/zinc/67/52/77/773675277.db2.gz KDLCMYYYQXVPDS-ZDUSSCGKSA-N 1 1 325.376 0.638 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001058241518 773829192 /nfs/dbraw/zinc/82/91/92/773829192.db2.gz RXNMIAMYMAIADY-KGLIPLIRSA-N 1 1 328.420 0.918 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058254186 773851540 /nfs/dbraw/zinc/85/15/40/773851540.db2.gz YFQMWKYOCOPXCX-QGZVFWFLSA-N 1 1 327.469 0.868 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058257407 773858855 /nfs/dbraw/zinc/85/88/55/773858855.db2.gz VUXKWWNUCXYDDD-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001058258346 773860447 /nfs/dbraw/zinc/86/04/47/773860447.db2.gz SVYDLXNQGBCDDD-UMVBOHGHSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cnc(F)cn2)C1 ZINC001058263945 773875124 /nfs/dbraw/zinc/87/51/24/773875124.db2.gz FVDQPHCUMBZTFT-KBPBESRZSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cnc(F)cn2)C1 ZINC001058263945 773875128 /nfs/dbraw/zinc/87/51/28/773875128.db2.gz FVDQPHCUMBZTFT-KBPBESRZSA-N 1 1 331.395 0.798 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC001058317322 773963418 /nfs/dbraw/zinc/96/34/18/773963418.db2.gz UDQMXCDXUWAWCZ-OCCSQVGLSA-N 1 1 349.822 0.632 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC001058317322 773963425 /nfs/dbraw/zinc/96/34/25/773963425.db2.gz UDQMXCDXUWAWCZ-OCCSQVGLSA-N 1 1 349.822 0.632 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@]12C[C@H]1CCC2 ZINC001058344807 774008979 /nfs/dbraw/zinc/00/89/79/774008979.db2.gz RCPBDUWOUXVSMU-JTDSTZFVSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@]12C[C@H]1CCC2 ZINC001058344807 774008985 /nfs/dbraw/zinc/00/89/85/774008985.db2.gz RCPBDUWOUXVSMU-JTDSTZFVSA-N 1 1 347.459 0.211 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058376722 774060813 /nfs/dbraw/zinc/06/08/13/774060813.db2.gz UFDNRJFSJRFNDG-HUUCEWRRSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058376722 774060818 /nfs/dbraw/zinc/06/08/18/774060818.db2.gz UFDNRJFSJRFNDG-HUUCEWRRSA-N 1 1 329.404 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@]1(C)C=CCC1 ZINC001058416897 774141166 /nfs/dbraw/zinc/14/11/66/774141166.db2.gz XXHQEDCLMGKJQQ-LPHOPBHVSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@]1(C)C=CCC1 ZINC001058416897 774141170 /nfs/dbraw/zinc/14/11/70/774141170.db2.gz XXHQEDCLMGKJQQ-LPHOPBHVSA-N 1 1 347.459 0.377 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001058437449 774178383 /nfs/dbraw/zinc/17/83/83/774178383.db2.gz DPXGYMQLVDCOFV-CABCVRRESA-N 1 1 339.480 0.866 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001058437780 774179414 /nfs/dbraw/zinc/17/94/14/774179414.db2.gz KCKDRMBMOPZSMT-KGLIPLIRSA-N 1 1 336.436 0.587 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001045059925 774913528 /nfs/dbraw/zinc/91/35/28/774913528.db2.gz YQACWXBEIHGGBT-CABCVRRESA-N 1 1 337.464 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nonc1C ZINC001045073297 774935794 /nfs/dbraw/zinc/93/57/94/774935794.db2.gz BRVGEBIGLCCLMY-HOCLYGCPSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nonc1C ZINC001045073297 774935797 /nfs/dbraw/zinc/93/57/97/774935797.db2.gz BRVGEBIGLCCLMY-HOCLYGCPSA-N 1 1 331.420 0.556 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nonc2C)nn1 ZINC001045233090 775192178 /nfs/dbraw/zinc/19/21/78/775192178.db2.gz YOBUJUDZNJSROS-LBPRGKRZSA-N 1 1 331.380 0.550 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001045233366 775193608 /nfs/dbraw/zinc/19/36/08/775193608.db2.gz QZCHBRJOKCQPQJ-DZKIICNBSA-N 1 1 348.451 0.662 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001043909987 775287229 /nfs/dbraw/zinc/28/72/29/775287229.db2.gz NABGBHLNWMOPKI-UHFFFAOYSA-N 1 1 346.431 0.627 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O ZINC001043959258 775402888 /nfs/dbraw/zinc/40/28/88/775402888.db2.gz JAELBVJBWHOSPG-CABCVRRESA-N 1 1 340.387 0.133 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044007136 775497319 /nfs/dbraw/zinc/49/73/19/775497319.db2.gz GBFWMLAQAFRTBO-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2C[NH+](C[C@H]3CCNC(=O)CC3)C2)nn1 ZINC001044022698 775536013 /nfs/dbraw/zinc/53/60/13/775536013.db2.gz RGLHIOYGYUSTBW-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1 ZINC001045493168 775700849 /nfs/dbraw/zinc/70/08/49/775700849.db2.gz PNXQQCWZCXTOHG-ZIAGYGMSSA-N 1 1 339.403 0.815 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001045551248 775778928 /nfs/dbraw/zinc/77/89/28/775778928.db2.gz GNHVDJMYZHASDN-ZFWWWQNUSA-N 1 1 348.447 0.243 20 30 ECEDMO C=CCCC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCOCC1 ZINC001070032537 790394873 /nfs/dbraw/zinc/39/48/73/790394873.db2.gz ZEJFUUUYJXQMIU-GJZGRUSLSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001044189707 775885360 /nfs/dbraw/zinc/88/53/60/775885360.db2.gz ZAPFFLCLYRRMNC-HOCLYGCPSA-N 1 1 334.464 0.258 20 30 ECEDMO C=C(Br)CN1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001044322743 776149892 /nfs/dbraw/zinc/14/98/92/776149892.db2.gz QFTDOSZRFQYTLO-CYBMUJFWSA-N 1 1 346.269 0.758 20 30 ECEDMO C=C(Br)CN1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001044322743 776149898 /nfs/dbraw/zinc/14/98/98/776149898.db2.gz QFTDOSZRFQYTLO-CYBMUJFWSA-N 1 1 346.269 0.758 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001068506741 790435125 /nfs/dbraw/zinc/43/51/25/790435125.db2.gz VMMFOAFTHSEPCE-MGPQQGTHSA-N 1 1 328.420 0.997 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001044479350 776342387 /nfs/dbraw/zinc/34/23/87/776342387.db2.gz XGQGRUAHKKXBFN-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)C[C@@H]1O ZINC001044560328 776439832 /nfs/dbraw/zinc/43/98/32/776439832.db2.gz VWFZNWLONJNMRG-WCVJEAGWSA-N 1 1 346.431 0.604 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001079629559 776554879 /nfs/dbraw/zinc/55/48/79/776554879.db2.gz NOTZTYGYNXNRIK-FZKQIMNGSA-N 1 1 340.427 0.973 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cncnc3)C2)C1=O ZINC001079638606 776583486 /nfs/dbraw/zinc/58/34/86/776583486.db2.gz YEMWNOGESXXAKJ-FVQBIDKESA-N 1 1 343.431 0.243 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@@H]1O ZINC001044661299 776598434 /nfs/dbraw/zinc/59/84/34/776598434.db2.gz NJPJSTZLWQJZLI-IVSAIRAKSA-N 1 1 346.431 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@](C)(O)C=C)C1 ZINC001079690286 776694040 /nfs/dbraw/zinc/69/40/40/776694040.db2.gz UBHCRJNPUIMPPS-QFBILLFUSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@](C)(O)C=C)C1 ZINC001079690286 776694045 /nfs/dbraw/zinc/69/40/45/776694045.db2.gz UBHCRJNPUIMPPS-QFBILLFUSA-N 1 1 347.459 0.470 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001079804945 776906244 /nfs/dbraw/zinc/90/62/44/776906244.db2.gz SXVJAPWAEIVAEG-CYBMUJFWSA-N 1 1 334.420 0.842 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)[C@@H](n2ccnn2)C1 ZINC001070073335 790511395 /nfs/dbraw/zinc/51/13/95/790511395.db2.gz GJLIZZBRKIBVSV-SJORKVTESA-N 1 1 338.415 0.774 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)C[N@H+](C)CCC)C1 ZINC001079978710 777183932 /nfs/dbraw/zinc/18/39/32/777183932.db2.gz ZACRNAAPDIBFHV-UHFFFAOYSA-N 1 1 325.453 0.980 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C#CC(C)C)C1 ZINC001080013863 777231183 /nfs/dbraw/zinc/23/11/83/777231183.db2.gz CMMGVSNJFRLXPC-GDBMZVCRSA-N 1 1 335.448 0.424 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C#CC(C)C)C1 ZINC001080013863 777231189 /nfs/dbraw/zinc/23/11/89/777231189.db2.gz CMMGVSNJFRLXPC-GDBMZVCRSA-N 1 1 335.448 0.424 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001080033443 777273745 /nfs/dbraw/zinc/27/37/45/777273745.db2.gz OATBLXFJNMEMIG-GDBMZVCRSA-N 1 1 331.416 0.568 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@@H](n2ccnn2)C1 ZINC001070081197 790537418 /nfs/dbraw/zinc/53/74/18/790537418.db2.gz LQMORYVIVNRZNR-MNOVXSKESA-N 1 1 334.767 0.598 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@@H](n2ccnn2)C1 ZINC001070081197 790537426 /nfs/dbraw/zinc/53/74/26/790537426.db2.gz LQMORYVIVNRZNR-MNOVXSKESA-N 1 1 334.767 0.598 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001080196280 777537608 /nfs/dbraw/zinc/53/76/08/777537608.db2.gz QEZOYZFXYFITKN-BXUZGUMPSA-N 1 1 327.388 0.404 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001080196450 777538028 /nfs/dbraw/zinc/53/80/28/777538028.db2.gz YQHNGTQQBPAXSW-BXUZGUMPSA-N 1 1 329.404 0.957 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)cc1 ZINC001080244778 777601523 /nfs/dbraw/zinc/60/15/23/777601523.db2.gz MCVKQXMXLUSOOF-KBRIMQKVSA-N 1 1 325.412 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)cc1 ZINC001080244778 777601524 /nfs/dbraw/zinc/60/15/24/777601524.db2.gz MCVKQXMXLUSOOF-KBRIMQKVSA-N 1 1 325.412 0.949 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001043090911 777708952 /nfs/dbraw/zinc/70/89/52/777708952.db2.gz MSWXWGYSBJFGBC-UHFFFAOYSA-N 1 1 346.431 0.500 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2C)c1 ZINC001080410293 777811536 /nfs/dbraw/zinc/81/15/36/777811536.db2.gz ZJRYBNQDOZQZAC-WQVCFCJDSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2C)c1 ZINC001080410293 777811545 /nfs/dbraw/zinc/81/15/45/777811545.db2.gz ZJRYBNQDOZQZAC-WQVCFCJDSA-N 1 1 326.400 0.392 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001080464871 777899257 /nfs/dbraw/zinc/89/92/57/777899257.db2.gz NRFUVVBJCRLRDT-QAPCUYQASA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001080464871 777899266 /nfs/dbraw/zinc/89/92/66/777899266.db2.gz NRFUVVBJCRLRDT-QAPCUYQASA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001080470899 777904428 /nfs/dbraw/zinc/90/44/28/777904428.db2.gz CJAOYIFCQYPMRV-MIGQKNRLSA-N 1 1 335.448 0.635 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001080470899 777904433 /nfs/dbraw/zinc/90/44/33/777904433.db2.gz CJAOYIFCQYPMRV-MIGQKNRLSA-N 1 1 335.448 0.635 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001043207432 777961039 /nfs/dbraw/zinc/96/10/39/777961039.db2.gz WFOHRNLAALVLBL-UHFFFAOYSA-N 1 1 325.453 0.618 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001080547798 778004558 /nfs/dbraw/zinc/00/45/58/778004558.db2.gz VTYVFIVIWIILOB-TZMCWYRMSA-N 1 1 334.420 0.100 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001080557759 778024598 /nfs/dbraw/zinc/02/45/98/778024598.db2.gz DFJZILFGHJRCHM-CABCVRRESA-N 1 1 335.448 0.568 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001080558257 778028958 /nfs/dbraw/zinc/02/89/58/778028958.db2.gz PLCBVUDZZLYYNB-OAHLLOKOSA-N 1 1 335.448 0.570 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@H]2C)nn1 ZINC001080579253 778083188 /nfs/dbraw/zinc/08/31/88/778083188.db2.gz WNWXBVJCMOXFCL-TZMCWYRMSA-N 1 1 341.419 0.813 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3nccnc3C)C[C@H]2C)nn1 ZINC001080579253 778083194 /nfs/dbraw/zinc/08/31/94/778083194.db2.gz WNWXBVJCMOXFCL-TZMCWYRMSA-N 1 1 341.419 0.813 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096401 790591994 /nfs/dbraw/zinc/59/19/94/790591994.db2.gz XXYGIRXYSHRJIQ-MJBXVCDLSA-N 1 1 338.843 0.324 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@@H](n2ccnn2)C1 ZINC001070097529 790596122 /nfs/dbraw/zinc/59/61/22/790596122.db2.gz YDSVSRICBJFJJN-CVEARBPZSA-N 1 1 341.419 0.862 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CCC1 ZINC001043347840 778199893 /nfs/dbraw/zinc/19/98/93/778199893.db2.gz AFLCWAUKMDXFKX-LSDHHAIUSA-N 1 1 347.459 0.067 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CCC1 ZINC001043347829 778200032 /nfs/dbraw/zinc/20/00/32/778200032.db2.gz AFLCWAUKMDXFKX-CABCVRRESA-N 1 1 347.459 0.067 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)CCC)C2)CCC1 ZINC001043348910 778203589 /nfs/dbraw/zinc/20/35/89/778203589.db2.gz YHIGBPBIAOSNKW-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001043435398 778330025 /nfs/dbraw/zinc/33/00/25/778330025.db2.gz CVCIVEPQLQBTLT-QGZVFWFLSA-N 1 1 345.443 0.945 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 ZINC001043461765 778371803 /nfs/dbraw/zinc/37/18/03/778371803.db2.gz DDVNDEYWSCZEKH-KGLIPLIRSA-N 1 1 336.436 0.098 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001043528685 778475551 /nfs/dbraw/zinc/47/55/51/778475551.db2.gz ZBGRHRRYYAYPBS-UHFFFAOYSA-N 1 1 348.447 0.319 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043590001 778553765 /nfs/dbraw/zinc/55/37/65/778553765.db2.gz KGWSOPDCWGQFTF-KFWWJZLASA-N 1 1 338.415 0.127 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043590001 778553768 /nfs/dbraw/zinc/55/37/68/778553768.db2.gz KGWSOPDCWGQFTF-KFWWJZLASA-N 1 1 338.415 0.127 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001043657557 778677027 /nfs/dbraw/zinc/67/70/27/778677027.db2.gz AWZQVRXIEOKVIF-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001043661385 778682722 /nfs/dbraw/zinc/68/27/22/778682722.db2.gz QYQHGMDDYSCICP-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 ZINC001043802097 778888440 /nfs/dbraw/zinc/88/84/40/778888440.db2.gz RAOUIRPISJEQNI-INIZCTEOSA-N 1 1 347.459 0.210 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3cnc(C#N)cn3)C2)O1 ZINC001068614662 790713833 /nfs/dbraw/zinc/71/38/33/790713833.db2.gz CDJDBPIDYSJFTE-RGCMKSIDSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3cnc(C#N)cn3)C2)O1 ZINC001068614662 790713847 /nfs/dbraw/zinc/71/38/47/790713847.db2.gz CDJDBPIDYSJFTE-RGCMKSIDSA-N 1 1 344.419 0.374 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC001070143958 790739148 /nfs/dbraw/zinc/73/91/48/790739148.db2.gz DSSPPTNTSBOKPJ-UHFFFAOYSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@@H]21 ZINC001042271009 779952604 /nfs/dbraw/zinc/95/26/04/779952604.db2.gz VRPOBKDTBMZAHR-ZFWWWQNUSA-N 1 1 339.399 0.501 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001042273338 779956875 /nfs/dbraw/zinc/95/68/75/779956875.db2.gz RTJZFIPQCPRKOH-HOCLYGCPSA-N 1 1 328.416 0.823 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]21 ZINC001042286467 779991711 /nfs/dbraw/zinc/99/17/11/779991711.db2.gz AKJZOOJNVRTNAY-CVEARBPZSA-N 1 1 328.416 0.416 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]21 ZINC001042287964 779994899 /nfs/dbraw/zinc/99/48/99/779994899.db2.gz PPRMQGRALKXVPI-IAGOWNOFSA-N 1 1 342.443 0.806 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC2(CN(C(=O)C#CC3CC3)C2)O1 ZINC001068631712 790756292 /nfs/dbraw/zinc/75/62/92/790756292.db2.gz JADVRPMKRHHOLJ-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@H]21 ZINC001042311185 780049687 /nfs/dbraw/zinc/04/96/87/780049687.db2.gz GWDIBXZWFUMRQR-TZMCWYRMSA-N 1 1 325.372 0.605 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC001042331426 780085778 /nfs/dbraw/zinc/08/57/78/780085778.db2.gz BVGGPVAQQLGNPJ-ZIAGYGMSSA-N 1 1 348.447 0.816 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]21 ZINC001042354346 780126665 /nfs/dbraw/zinc/12/66/65/780126665.db2.gz RQVBYFDZTGMWSK-OCCSQVGLSA-N 1 1 332.404 0.598 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)cc3)C[C@@H]21 ZINC001042375381 780163874 /nfs/dbraw/zinc/16/38/74/780163874.db2.gz WFYGTDWDWJLIDC-WBVHZDCISA-N 1 1 325.412 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)[C@@H](C)OC)CC1 ZINC001078852627 780560046 /nfs/dbraw/zinc/56/00/46/780560046.db2.gz GDOSBZJCXOVWTD-IKGGRYGDSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)[C@@H](C)OC)CC1 ZINC001078852627 780560053 /nfs/dbraw/zinc/56/00/53/780560053.db2.gz GDOSBZJCXOVWTD-IKGGRYGDSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001078960502 780655155 /nfs/dbraw/zinc/65/51/55/780655155.db2.gz WCDLRZHWDPKLQY-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO CN(c1cnc(C#N)cn1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001068656818 790818143 /nfs/dbraw/zinc/81/81/43/790818143.db2.gz FDFVBMWBTFDOKO-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001079165799 780848694 /nfs/dbraw/zinc/84/86/94/780848694.db2.gz HULVURLDCJSNJS-CYBMUJFWSA-N 1 1 347.423 0.009 20 30 ECEDMO C#CCC[NH+]1CCC2(CN(C(=O)c3[nH]nnc3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079254450 780927287 /nfs/dbraw/zinc/92/72/87/780927287.db2.gz DJELNJBDIQKPTO-LSDHHAIUSA-N 1 1 343.431 0.689 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)CN3CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273428 780949327 /nfs/dbraw/zinc/94/93/27/780949327.db2.gz BOMKXYHWZNPQIQ-DLBZAZTESA-N 1 1 331.460 0.655 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042860761 780954844 /nfs/dbraw/zinc/95/48/44/780954844.db2.gz ITECZCMGIMJFOD-NUEKZKHPSA-N 1 1 343.431 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2CC(C)(C)C2)C1 ZINC001042873629 780974191 /nfs/dbraw/zinc/97/41/91/780974191.db2.gz LCUSNQZYCNBRQK-HNNXBMFYSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2CC(C)(C)C2)C1 ZINC001042873629 780974196 /nfs/dbraw/zinc/97/41/96/780974196.db2.gz LCUSNQZYCNBRQK-HNNXBMFYSA-N 1 1 347.459 0.210 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccncc3)C2)C1=O ZINC001079354125 781020237 /nfs/dbraw/zinc/02/02/37/781020237.db2.gz GPCGDIDSRMQTFL-FVQBIDKESA-N 1 1 328.416 0.919 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccncc3)C2)C1=O ZINC001079354125 781020245 /nfs/dbraw/zinc/02/02/45/781020245.db2.gz GPCGDIDSRMQTFL-FVQBIDKESA-N 1 1 328.416 0.919 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001042940405 781071853 /nfs/dbraw/zinc/07/18/53/781071853.db2.gz OKGKUFIFGFTQOS-MRXNPFEDSA-N 1 1 349.475 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2noc(C(C)C)n2)C1 ZINC001042960379 781102562 /nfs/dbraw/zinc/10/25/62/781102562.db2.gz OCTUZLVSWKVAAL-HNNXBMFYSA-N 1 1 345.447 0.933 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2noc(C(C)C)n2)C1 ZINC001042960379 781102565 /nfs/dbraw/zinc/10/25/65/781102565.db2.gz OCTUZLVSWKVAAL-HNNXBMFYSA-N 1 1 345.447 0.933 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001042973804 781122644 /nfs/dbraw/zinc/12/26/44/781122644.db2.gz BKEFKPMFBUQYDF-KBRIMQKVSA-N 1 1 343.431 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](CC)OC)C1 ZINC001079451920 781133721 /nfs/dbraw/zinc/13/37/21/781133721.db2.gz COPFMWUNRNVEKA-HOTGVXAUSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](CC)OC)C1 ZINC001079451920 781133726 /nfs/dbraw/zinc/13/37/26/781133726.db2.gz COPFMWUNRNVEKA-HOTGVXAUSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ncoc3C)C2)C1=O ZINC001079471632 781156871 /nfs/dbraw/zinc/15/68/71/781156871.db2.gz LFEHMLFETZVSTQ-MRVWCRGKSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ncoc3C)C2)C1=O ZINC001079471632 781156875 /nfs/dbraw/zinc/15/68/75/781156875.db2.gz LFEHMLFETZVSTQ-MRVWCRGKSA-N 1 1 332.404 0.820 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493144 781180776 /nfs/dbraw/zinc/18/07/76/781180776.db2.gz ACNDMMCLCVKVNG-KBRIMQKVSA-N 1 1 343.402 0.892 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493144 781180780 /nfs/dbraw/zinc/18/07/80/781180780.db2.gz ACNDMMCLCVKVNG-KBRIMQKVSA-N 1 1 343.402 0.892 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043060895 781258525 /nfs/dbraw/zinc/25/85/25/781258525.db2.gz XNSVZUJMGTWHLD-JKSUJKDBSA-N 1 1 347.459 0.354 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589292 781291015 /nfs/dbraw/zinc/29/10/15/781291015.db2.gz BVIYMKNBOUPBPW-CRAIPNDOSA-N 1 1 342.443 0.827 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589292 781291021 /nfs/dbraw/zinc/29/10/21/781291021.db2.gz BVIYMKNBOUPBPW-CRAIPNDOSA-N 1 1 342.443 0.827 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592395 781295440 /nfs/dbraw/zinc/29/54/40/781295440.db2.gz DSPUQACYRFSMHC-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cncnc3)C2)C1=O ZINC001079606444 781312162 /nfs/dbraw/zinc/31/21/62/781312162.db2.gz OGTAHLGLNJNLID-BPLDGKMQSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cncnc3)C2)C1=O ZINC001079606444 781312173 /nfs/dbraw/zinc/31/21/73/781312173.db2.gz OGTAHLGLNJNLID-BPLDGKMQSA-N 1 1 329.404 0.314 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077676966 781484760 /nfs/dbraw/zinc/48/47/60/781484760.db2.gz RDEWFYXTZJHBPA-ZTFGCOKTSA-N 1 1 342.443 0.704 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1O ZINC001077694342 781530501 /nfs/dbraw/zinc/53/05/01/781530501.db2.gz NGWNZNHBNRHEMF-TVFCKZIOSA-N 1 1 346.427 0.948 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)c2)C[C@H]1O ZINC001077694342 781530506 /nfs/dbraw/zinc/53/05/06/781530506.db2.gz NGWNZNHBNRHEMF-TVFCKZIOSA-N 1 1 346.427 0.948 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451554 781544301 /nfs/dbraw/zinc/54/43/01/781544301.db2.gz NCUGAFFWFYPCNC-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451554 781544310 /nfs/dbraw/zinc/54/43/10/781544310.db2.gz NCUGAFFWFYPCNC-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)O1 ZINC001077701233 781544533 /nfs/dbraw/zinc/54/45/33/781544533.db2.gz OVGLTUUUNPFCNC-BASLNEPJSA-N 1 1 329.400 0.787 20 30 ECEDMO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)O1 ZINC001077701233 781544543 /nfs/dbraw/zinc/54/45/43/781544543.db2.gz OVGLTUUUNPFCNC-BASLNEPJSA-N 1 1 329.400 0.787 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC001041476206 781589687 /nfs/dbraw/zinc/58/96/87/781589687.db2.gz QAPQWEKRYNNXHN-GOSISDBHSA-N 1 1 329.400 0.945 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNc2ccc(C#N)nn2)C1 ZINC001041478410 781594677 /nfs/dbraw/zinc/59/46/77/781594677.db2.gz AKNULRWCHPJJGY-HUUCEWRRSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNc2ccc(C#N)nn2)C1 ZINC001041478409 781594832 /nfs/dbraw/zinc/59/48/32/781594832.db2.gz AKNULRWCHPJJGY-GJZGRUSLSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041482195 781604422 /nfs/dbraw/zinc/60/44/22/781604422.db2.gz MDXWXPYGHBSBDP-JTDSTZFVSA-N 1 1 347.459 0.747 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC001077737050 781621250 /nfs/dbraw/zinc/62/12/50/781621250.db2.gz VSQACTKECGPVQP-GDBMZVCRSA-N 1 1 344.415 0.869 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-n4cnnn4)cn3)C2)C1 ZINC001041507133 781656599 /nfs/dbraw/zinc/65/65/99/781656599.db2.gz VAVZMHJSTSBXMD-QGZVFWFLSA-N 1 1 339.403 0.781 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001077902096 781905702 /nfs/dbraw/zinc/90/57/02/781905702.db2.gz QZSUZQXOXXJUNJ-HUUCEWRRSA-N 1 1 329.404 0.709 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(c2ccc(C#N)cn2)CCCO1 ZINC001039908168 783257834 /nfs/dbraw/zinc/25/78/34/783257834.db2.gz SCGIYRRINIIMML-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO N#CCN1CCC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001040712407 783314736 /nfs/dbraw/zinc/31/47/36/783314736.db2.gz IYINSGQCBSXFMY-HOTGVXAUSA-N 1 1 332.448 0.688 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001040729414 783340870 /nfs/dbraw/zinc/34/08/70/783340870.db2.gz OVIBJOQQOCEQET-KRWDZBQOSA-N 1 1 325.453 0.764 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001040734347 783348082 /nfs/dbraw/zinc/34/80/82/783348082.db2.gz VGBZXERUGYFFEL-CRAIPNDOSA-N 1 1 337.464 0.907 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001040786769 783437264 /nfs/dbraw/zinc/43/72/64/783437264.db2.gz MBFDTPANFUFBOR-SOUVJXGZSA-N 1 1 340.431 0.870 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@@H]1n1ccnn1 ZINC001070219911 783684711 /nfs/dbraw/zinc/68/47/11/783684711.db2.gz RBHXIHATIUGYSI-PMPSAXMXSA-N 1 1 332.452 0.680 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@@H]1n1ccnn1 ZINC001070219910 783684757 /nfs/dbraw/zinc/68/47/57/783684757.db2.gz RBHXIHATIUGYSI-OAGGEKHMSA-N 1 1 332.452 0.680 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 ZINC001070232654 783707703 /nfs/dbraw/zinc/70/77/03/783707703.db2.gz OCRCYZKQEMUVCZ-LBPRGKRZSA-N 1 1 333.392 0.133 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@@H]1n1ccnn1 ZINC001070292142 783798372 /nfs/dbraw/zinc/79/83/72/783798372.db2.gz IKACVSUCIIWTIT-NEPJUHHUSA-N 1 1 335.799 0.717 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+]2CCCN2CCCC2=O)c1 ZINC001038143322 783912832 /nfs/dbraw/zinc/91/28/32/783912832.db2.gz GIEFOUOUWSWWBP-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnnn2C)C1 ZINC001070385497 783928629 /nfs/dbraw/zinc/92/86/29/783928629.db2.gz XKLHWHXWONHUEP-AWEZNQCLSA-N 1 1 340.387 0.226 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnnn2C)C1 ZINC001070385497 783928633 /nfs/dbraw/zinc/92/86/33/783928633.db2.gz XKLHWHXWONHUEP-AWEZNQCLSA-N 1 1 340.387 0.226 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](c3n[nH]cc3CNC(C)=O)C2)C1=O ZINC001070390407 783942083 /nfs/dbraw/zinc/94/20/83/783942083.db2.gz SFBYTFQQUQZGFD-DZGCQCFKSA-N 1 1 331.420 0.622 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H]2CCc3ncnn32)c[nH]1 ZINC001038176211 783951860 /nfs/dbraw/zinc/95/18/60/783951860.db2.gz YLZDSGWEQNRGRL-UONOGXRCSA-N 1 1 325.376 0.469 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001070394529 783953742 /nfs/dbraw/zinc/95/37/42/783953742.db2.gz KXANSYQHAHNNPO-HNNXBMFYSA-N 1 1 339.399 0.786 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nnn(C)c2C)C1 ZINC001070400949 783970022 /nfs/dbraw/zinc/97/00/22/783970022.db2.gz GQFNASSJFVUQBC-LBPRGKRZSA-N 1 1 327.392 0.199 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001070403312 783976549 /nfs/dbraw/zinc/97/65/49/783976549.db2.gz PPLVNIMRWQLHDO-ZIAGYGMSSA-N 1 1 343.431 0.365 20 30 ECEDMO N#Cc1ccc(C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCO)C2)[nH]1 ZINC001070404834 783982505 /nfs/dbraw/zinc/98/25/05/783982505.db2.gz QIYKXJOFLWYNLZ-LLVKDONJSA-N 1 1 328.376 0.321 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001070406346 783987039 /nfs/dbraw/zinc/98/70/39/783987039.db2.gz SBMFRZJBVSWCIZ-AWEZNQCLSA-N 1 1 345.447 0.870 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001070406597 783988559 /nfs/dbraw/zinc/98/85/59/783988559.db2.gz YZNQXFONLZUMBN-ZDUSSCGKSA-N 1 1 331.420 0.480 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2N)C1 ZINC001070406611 783988647 /nfs/dbraw/zinc/98/86/47/783988647.db2.gz ZGLHFSHNNYESGM-NSHDSACASA-N 1 1 327.392 0.078 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)nn2)C1 ZINC001070408483 783994357 /nfs/dbraw/zinc/99/43/57/783994357.db2.gz TXRSGECXVWFUGF-GFCCVEGCSA-N 1 1 329.408 0.834 20 30 ECEDMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OCC#N)cc2)nn1 ZINC001038210518 784000295 /nfs/dbraw/zinc/00/02/95/784000295.db2.gz FJFDZCSOGXYRPH-CQSZACIVSA-N 1 1 340.387 0.722 20 30 ECEDMO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OCC#N)cc2)nn1 ZINC001038210518 784000303 /nfs/dbraw/zinc/00/03/03/784000303.db2.gz FJFDZCSOGXYRPH-CQSZACIVSA-N 1 1 340.387 0.722 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1 ZINC001070411720 784001812 /nfs/dbraw/zinc/00/18/12/784001812.db2.gz WYPGIJCYNDGPOV-IMJJTQAJSA-N 1 1 348.447 0.789 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001070414952 784016429 /nfs/dbraw/zinc/01/64/29/784016429.db2.gz VQECOKPMSBQRPF-LLVKDONJSA-N 1 1 328.376 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nccn3ccnc23)C1 ZINC001070424110 784038044 /nfs/dbraw/zinc/03/80/44/784038044.db2.gz ADUFCPWKYZLVBF-ZDUSSCGKSA-N 1 1 349.398 0.805 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1 ZINC001070424639 784039985 /nfs/dbraw/zinc/03/99/85/784039985.db2.gz QIITTWRCLXQWRN-CFVMTHIKSA-N 1 1 334.420 0.399 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(C)n2)C1 ZINC001070430769 784050066 /nfs/dbraw/zinc/05/00/66/784050066.db2.gz BJLRJGQNQHJNTB-GFCCVEGCSA-N 1 1 327.392 0.281 20 30 ECEDMO CC#CCN1CC[C@H](c2n[nH]cc2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070433008 784057802 /nfs/dbraw/zinc/05/78/02/784057802.db2.gz XYYQEKKVWSHSDW-HNNXBMFYSA-N 1 1 341.459 0.934 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001070434184 784061155 /nfs/dbraw/zinc/06/11/55/784061155.db2.gz ORMGWWLPLAPABR-NSHDSACASA-N 1 1 340.387 0.189 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001070434046 784061569 /nfs/dbraw/zinc/06/15/69/784061569.db2.gz LDLZITFJUGPRPK-GJZGRUSLSA-N 1 1 343.431 0.317 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001070433973 784061835 /nfs/dbraw/zinc/06/18/35/784061835.db2.gz JHFXDQKPQQZCOV-UONOGXRCSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001070434632 784063842 /nfs/dbraw/zinc/06/38/42/784063842.db2.gz YWGVTIJWPOWLLS-ZIAGYGMSSA-N 1 1 343.431 0.317 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)[C@H]1CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070443188 784089206 /nfs/dbraw/zinc/08/92/06/784089206.db2.gz ZWCDCZCACLHCLF-GJZGRUSLSA-N 1 1 345.447 0.954 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@]1(F)CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070449925 784108294 /nfs/dbraw/zinc/10/82/94/784108294.db2.gz YHCLUHLGBBZKQQ-GUYCJALGSA-N 1 1 349.410 0.656 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cnon1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451273 784113122 /nfs/dbraw/zinc/11/31/22/784113122.db2.gz XCFMHATXAXKEEF-LLVKDONJSA-N 1 1 329.364 0.224 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cnon1)C[C@H]2c1nnc(C)[nH]1 ZINC001070451274 784113263 /nfs/dbraw/zinc/11/32/63/784113263.db2.gz XCFMHATXAXKEEF-NSHDSACASA-N 1 1 329.364 0.224 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cncnc2C)CC1 ZINC001070940691 784172151 /nfs/dbraw/zinc/17/21/51/784172151.db2.gz RFAGQHVAFJKTLT-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cncnc2C)CC1 ZINC001070940691 784172156 /nfs/dbraw/zinc/17/21/56/784172156.db2.gz RFAGQHVAFJKTLT-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2C)CC1 ZINC001070948142 784196672 /nfs/dbraw/zinc/19/66/72/784196672.db2.gz ACLCAKPCCXTYJT-UHFFFAOYSA-N 1 1 347.463 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc[nH]c2CC)CC1 ZINC001070961282 784236996 /nfs/dbraw/zinc/23/69/96/784236996.db2.gz QZVFUDROGAWTMY-UHFFFAOYSA-N 1 1 330.432 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc[nH]c2CC)CC1 ZINC001070961282 784237000 /nfs/dbraw/zinc/23/70/00/784237000.db2.gz QZVFUDROGAWTMY-UHFFFAOYSA-N 1 1 330.432 0.865 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(=O)NCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC001070962123 784238420 /nfs/dbraw/zinc/23/84/20/784238420.db2.gz JFJSFCNRPDGRJX-INIZCTEOSA-N 1 1 333.432 0.087 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccn(C)n2)CC1 ZINC001070963561 784245191 /nfs/dbraw/zinc/24/51/91/784245191.db2.gz XENIXWBFFRALRR-UHFFFAOYSA-N 1 1 333.436 0.189 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001070567818 784285026 /nfs/dbraw/zinc/28/50/26/784285026.db2.gz IWAITFDMHJVHEY-FUHWJXTLSA-N 1 1 343.475 0.813 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccn(C)c(=O)c2)CC1 ZINC001070975228 784288028 /nfs/dbraw/zinc/28/80/28/784288028.db2.gz HYFJUFNGUKUXGF-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 ZINC001070991253 784339784 /nfs/dbraw/zinc/33/97/84/784339784.db2.gz JVZXJBHNATZTMC-INIZCTEOSA-N 1 1 349.479 0.282 20 30 ECEDMO C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001070584614 784355587 /nfs/dbraw/zinc/35/55/87/784355587.db2.gz BRHCQAGBJMEPJS-MGPQQGTHSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001070584614 784355591 /nfs/dbraw/zinc/35/55/91/784355591.db2.gz BRHCQAGBJMEPJS-MGPQQGTHSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001070584614 784355600 /nfs/dbraw/zinc/35/56/00/784355600.db2.gz BRHCQAGBJMEPJS-MGPQQGTHSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001070584614 784355604 /nfs/dbraw/zinc/35/56/04/784355604.db2.gz BRHCQAGBJMEPJS-MGPQQGTHSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001070584614 784355611 /nfs/dbraw/zinc/35/56/11/784355611.db2.gz BRHCQAGBJMEPJS-MGPQQGTHSA-N 1 1 348.451 0.320 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001071000225 784370750 /nfs/dbraw/zinc/37/07/50/784370750.db2.gz TWGROTLRZORAHL-INIZCTEOSA-N 1 1 334.464 0.002 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nc(C)n2)CC1 ZINC001071007344 784391933 /nfs/dbraw/zinc/39/19/33/784391933.db2.gz LERRZXPXLLBTPS-UHFFFAOYSA-N 1 1 345.447 0.934 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nc(C)n2)CC1 ZINC001071007344 784391942 /nfs/dbraw/zinc/39/19/42/784391942.db2.gz LERRZXPXLLBTPS-UHFFFAOYSA-N 1 1 345.447 0.934 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC(=O)NCC[N@@H+](C(C)C)CC2)nn1 ZINC001071007446 784392354 /nfs/dbraw/zinc/39/23/54/784392354.db2.gz NTIHUXBVRBUYJV-UHFFFAOYSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC(=O)NCC[N@H+](C(C)C)CC2)nn1 ZINC001071007446 784392365 /nfs/dbraw/zinc/39/23/65/784392365.db2.gz NTIHUXBVRBUYJV-UHFFFAOYSA-N 1 1 348.451 0.527 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ccon2)n1 ZINC001070596158 784406684 /nfs/dbraw/zinc/40/66/84/784406684.db2.gz XCDRNGHOAKUXHE-STQMWFEESA-N 1 1 329.360 0.846 20 30 ECEDMO C#CCC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCOC2)n1 ZINC001070601333 784417898 /nfs/dbraw/zinc/41/78/98/784417898.db2.gz HNSMQXWVQICXCK-HRCADAONSA-N 1 1 346.431 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnco2)n1 ZINC001070604774 784424572 /nfs/dbraw/zinc/42/45/72/784424572.db2.gz ZGZRQTOKDFVEDT-QWHCGFSZSA-N 1 1 329.360 0.846 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cccnn2)n1 ZINC001070605722 784426978 /nfs/dbraw/zinc/42/69/78/784426978.db2.gz YEZHTERNPMLQEP-UONOGXRCSA-N 1 1 340.387 0.648 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2ccnc2)n1 ZINC001070606225 784427815 /nfs/dbraw/zinc/42/78/15/784427815.db2.gz SRAWYMZUZVNCHQ-LSDHHAIUSA-N 1 1 344.419 0.994 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2[nH]cnc2CC)CC1 ZINC001071018477 784432846 /nfs/dbraw/zinc/43/28/46/784432846.db2.gz ULYYPIFPGZCEPI-UHFFFAOYSA-N 1 1 333.436 0.812 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2[nH]cnc2CC)CC1 ZINC001071018477 784432853 /nfs/dbraw/zinc/43/28/53/784432853.db2.gz ULYYPIFPGZCEPI-UHFFFAOYSA-N 1 1 333.436 0.812 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[C@H]2OC)CC1 ZINC001071022943 784448465 /nfs/dbraw/zinc/44/84/65/784448465.db2.gz JNVZJHYCZOVPNJ-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[C@H]2OC)CC1 ZINC001071022943 784448466 /nfs/dbraw/zinc/44/84/66/784448466.db2.gz JNVZJHYCZOVPNJ-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cncn1C ZINC001070643766 784486961 /nfs/dbraw/zinc/48/69/61/784486961.db2.gz KHHNQBJBHLUTHY-VXGBXAGGSA-N 1 1 349.826 0.499 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)O1 ZINC001070713193 784583410 /nfs/dbraw/zinc/58/34/10/784583410.db2.gz ILFPAQKUNSYFIX-BZUAXINKSA-N 1 1 349.475 0.862 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)O1 ZINC001070713193 784583411 /nfs/dbraw/zinc/58/34/11/784583411.db2.gz ILFPAQKUNSYFIX-BZUAXINKSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 ZINC001071144172 784597281 /nfs/dbraw/zinc/59/72/81/784597281.db2.gz IMCSRRBBDAILFY-ZFWWWQNUSA-N 1 1 330.450 0.299 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C)c1C)C[C@H](C)O2 ZINC001071149681 784607741 /nfs/dbraw/zinc/60/77/41/784607741.db2.gz PLJIQYVEUIDARC-SUMWQHHRSA-N 1 1 331.420 0.452 20 30 ECEDMO COCC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C#N)[nH]1)C[C@H](C)O2 ZINC001071156005 784619767 /nfs/dbraw/zinc/61/97/67/784619767.db2.gz AFNYNZGOPOSYAW-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@H](C)O2 ZINC001071159213 784625717 /nfs/dbraw/zinc/62/57/17/784625717.db2.gz IZUHCXILGZRXEY-KBXCAEBGSA-N 1 1 333.432 0.180 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CN=NC1=O)C[C@@H](C)O2 ZINC001071160026 784629252 /nfs/dbraw/zinc/62/92/52/784629252.db2.gz WFIUCMYUYOQSQH-RHSMWYFYSA-N 1 1 349.435 0.642 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cncnc1)C[C@@H](C)O2 ZINC001071163923 784637016 /nfs/dbraw/zinc/63/70/16/784637016.db2.gz DHCNLHSRSHRIDK-QAPCUYQASA-N 1 1 328.416 0.734 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc(C)o1)C[C@H](C)O2 ZINC001071165212 784638743 /nfs/dbraw/zinc/63/87/43/784638743.db2.gz ZGYQGTHLLCXRRK-SUMWQHHRSA-N 1 1 332.404 0.636 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@H](C)O2 ZINC001071166849 784643129 /nfs/dbraw/zinc/64/31/29/784643129.db2.gz OUNSGDWHYRXQIQ-GUYCJALGSA-N 1 1 333.436 0.924 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1ccncn1)C[C@H](C)O2 ZINC001071170691 784651389 /nfs/dbraw/zinc/65/13/89/784651389.db2.gz BAJOVWPQPLRGJY-YJBOKZPZSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)C[C@@H](C)O2 ZINC001071174208 784660540 /nfs/dbraw/zinc/66/05/40/784660540.db2.gz UVDBQJUUNVIFKM-KDOFPFPSSA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)C[C@@H](C)O2 ZINC001071174208 784660546 /nfs/dbraw/zinc/66/05/46/784660546.db2.gz UVDBQJUUNVIFKM-KDOFPFPSSA-N 1 1 328.416 0.768 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)C[C@H](C)O2 ZINC001071174331 784661043 /nfs/dbraw/zinc/66/10/43/784661043.db2.gz WRCMLEUWJIWCIA-DOTOQJQBSA-N 1 1 333.436 0.936 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)C[C@H](C)O2 ZINC001071185625 784689276 /nfs/dbraw/zinc/68/92/76/784689276.db2.gz JPXLAYYUTCPSJG-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)C[C@H](C)O2 ZINC001071185625 784689278 /nfs/dbraw/zinc/68/92/78/784689278.db2.gz JPXLAYYUTCPSJG-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nc(C)cc1C)C[C@@H](C)O2 ZINC001071189387 784694368 /nfs/dbraw/zinc/69/43/68/784694368.db2.gz KPJDEWYDCHMKQS-AEFFLSMTSA-N 1 1 330.432 0.825 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cc(C)nn1C)C[C@@H](C)O2 ZINC001071189986 784696850 /nfs/dbraw/zinc/69/68/50/784696850.db2.gz RXXGEQUEOSFLIT-VQIMIIECSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)C[C@@H](C)O2 ZINC001071190364 784698272 /nfs/dbraw/zinc/69/82/72/784698272.db2.gz YEXJDGPZDGASIY-KDOFPFPSSA-N 1 1 344.415 0.604 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)C[C@@H](C)O2 ZINC001071190364 784698278 /nfs/dbraw/zinc/69/82/78/784698278.db2.gz YEXJDGPZDGASIY-KDOFPFPSSA-N 1 1 344.415 0.604 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@@H](C)O2 ZINC001071193026 784706614 /nfs/dbraw/zinc/70/66/14/784706614.db2.gz VKYMHVKHLABUTI-CXAGYDPISA-N 1 1 332.404 0.272 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)C)C2)C1 ZINC001070810956 784706969 /nfs/dbraw/zinc/70/69/69/784706969.db2.gz GUAQJVXIUKQWGL-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)C)C2)C1 ZINC001070810956 784706972 /nfs/dbraw/zinc/70/69/72/784706972.db2.gz GUAQJVXIUKQWGL-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)C1 ZINC001070811111 784707084 /nfs/dbraw/zinc/70/70/84/784707084.db2.gz IKGUNPKSNGSXKW-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)C1 ZINC001070811111 784707087 /nfs/dbraw/zinc/70/70/87/784707087.db2.gz IKGUNPKSNGSXKW-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@@H](C)O2 ZINC001071194447 784709107 /nfs/dbraw/zinc/70/91/07/784709107.db2.gz JJUXUDLBOJBQSG-QAPCUYQASA-N 1 1 345.447 0.556 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@]2(CCN(CC#N)C2)O1 ZINC001071208935 784739893 /nfs/dbraw/zinc/73/98/93/784739893.db2.gz BRQCRMIAEQZODI-YJBOKZPZSA-N 1 1 334.464 0.934 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@@H](C)O2 ZINC001071212288 784749294 /nfs/dbraw/zinc/74/92/94/784749294.db2.gz VSPWIICLRJVDKK-FZKQIMNGSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ncn(C(C)(C)C)n1)C[C@@H](C)O2 ZINC001071214034 784752356 /nfs/dbraw/zinc/75/23/56/784752356.db2.gz OBUXHTISQCWKIV-KDOFPFPSSA-N 1 1 345.447 0.972 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncn(C(C)(C)C)n1)C[C@@H](C)O2 ZINC001071214034 784752365 /nfs/dbraw/zinc/75/23/65/784752365.db2.gz OBUXHTISQCWKIV-KDOFPFPSSA-N 1 1 345.447 0.972 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CC=C)C3)C2)nn1 ZINC001071215753 784753903 /nfs/dbraw/zinc/75/39/03/784753903.db2.gz GQJJDQJZNUONNS-YOEHRIQHSA-N 1 1 331.420 0.956 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1nonc1C)C[C@H](C)O2 ZINC001071228260 784788111 /nfs/dbraw/zinc/78/81/11/784788111.db2.gz RNKPNGCNDXQYJA-GUYCJALGSA-N 1 1 332.404 0.636 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nc(C)ccc1=O)C[C@H](C)O2 ZINC001071229798 784791490 /nfs/dbraw/zinc/79/14/90/784791490.db2.gz ACDLZTSBROOLHA-MAUKXSAKSA-N 1 1 346.431 0.430 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CCN(C(N)=O)CC1)C[C@@H](C)O2 ZINC001071237785 784806155 /nfs/dbraw/zinc/80/61/55/784806155.db2.gz CQYLMASDYJICNN-KDOFPFPSSA-N 1 1 348.447 0.102 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(F)F)C1 ZINC001070900624 784808644 /nfs/dbraw/zinc/80/86/44/784808644.db2.gz SFKKCAMORIJKQM-TUAOUCFPSA-N 1 1 329.347 0.934 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c(C)csc1=O)C[C@H](C)O2 ZINC001071239138 784809922 /nfs/dbraw/zinc/80/99/22/784809922.db2.gz WUDTXAOEADQLNU-WMLDXEAASA-N 1 1 349.456 0.543 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@H](C)O2 ZINC001071241624 784816569 /nfs/dbraw/zinc/81/65/69/784816569.db2.gz YBXHLKYRVHVOOQ-UGSOOPFHSA-N 1 1 346.431 0.995 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@H](C)O2 ZINC001071244464 784822354 /nfs/dbraw/zinc/82/23/54/784822354.db2.gz VNLKNNKODCSIQX-GUYCJALGSA-N 1 1 334.420 0.215 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@H](C)O2 ZINC001071248908 784833093 /nfs/dbraw/zinc/83/30/93/784833093.db2.gz VMJIMOMLSFBYTP-WMLDXEAASA-N 1 1 331.420 0.073 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)Cn3cccn3)C2)C(=O)C1 ZINC001071253809 784844941 /nfs/dbraw/zinc/84/49/41/784844941.db2.gz RJTNQWJGHVDXBA-MRXNPFEDSA-N 1 1 345.447 0.594 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)Cn3cccn3)C2)C(=O)C1 ZINC001071253809 784844950 /nfs/dbraw/zinc/84/49/50/784844950.db2.gz RJTNQWJGHVDXBA-MRXNPFEDSA-N 1 1 345.447 0.594 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cn[nH]c3)C2)C(=O)C1 ZINC001071254270 784846518 /nfs/dbraw/zinc/84/65/18/784846518.db2.gz YJLPIUIKVUGGPH-HNNXBMFYSA-N 1 1 331.420 0.735 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cn[nH]c3)C2)C(=O)C1 ZINC001071254270 784846523 /nfs/dbraw/zinc/84/65/23/784846523.db2.gz YJLPIUIKVUGGPH-HNNXBMFYSA-N 1 1 331.420 0.735 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)Cc3cc[nH]n3)C2)C(=O)C1 ZINC001071258699 784864382 /nfs/dbraw/zinc/86/43/82/784864382.db2.gz OTJJZRSRTGHUGQ-INIZCTEOSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)Cc3cc[nH]n3)C2)C(=O)C1 ZINC001071258699 784864390 /nfs/dbraw/zinc/86/43/90/784864390.db2.gz OTJJZRSRTGHUGQ-INIZCTEOSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cncnc3)C2)C(=O)C1 ZINC001071262177 784874695 /nfs/dbraw/zinc/87/46/95/784874695.db2.gz DYDVYHDYRBWWHG-INIZCTEOSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cncnc3)C2)C(=O)C1 ZINC001071262177 784874702 /nfs/dbraw/zinc/87/47/02/784874702.db2.gz DYDVYHDYRBWWHG-INIZCTEOSA-N 1 1 343.431 0.802 20 30 ECEDMO C#CCN1CCN([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C(=O)C1 ZINC001071267564 784892814 /nfs/dbraw/zinc/89/28/14/784892814.db2.gz LSEGYARDXIUKME-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 ZINC001071267676 784894706 /nfs/dbraw/zinc/89/47/06/784894706.db2.gz OIBCQCOPCVTJIA-CVEARBPZSA-N 1 1 347.463 0.129 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)C(=O)C1 ZINC001071276909 784919883 /nfs/dbraw/zinc/91/98/83/784919883.db2.gz DOPJQQAABDXJLE-HNNXBMFYSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)C(=O)C1 ZINC001071276909 784919885 /nfs/dbraw/zinc/91/98/85/784919885.db2.gz DOPJQQAABDXJLE-HNNXBMFYSA-N 1 1 345.447 0.745 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CCn1cncn1 ZINC001071438087 785087026 /nfs/dbraw/zinc/08/70/26/785087026.db2.gz LTERLTHXFSGBDJ-GXTWGEPZSA-N 1 1 327.392 0.761 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001071808703 785136474 /nfs/dbraw/zinc/13/64/74/785136474.db2.gz KNNDQVPQNSZLET-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC[C@@H]1C ZINC001071509187 785216582 /nfs/dbraw/zinc/21/65/82/785216582.db2.gz ZIZRRJGLQQXCRW-KBPBESRZSA-N 1 1 333.432 0.764 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C ZINC001071860452 785233073 /nfs/dbraw/zinc/23/30/73/785233073.db2.gz IYSUBMLOKQHSDX-OLZOCXBDSA-N 1 1 334.420 0.243 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1C ZINC001071548821 785284883 /nfs/dbraw/zinc/28/48/83/785284883.db2.gz MCESIHKAROPTQT-UONOGXRCSA-N 1 1 334.420 0.092 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)CC[C@H]1C ZINC001071561842 785307902 /nfs/dbraw/zinc/30/79/02/785307902.db2.gz WFTNWNHYFWTQHS-VXGBXAGGSA-N 1 1 327.388 0.890 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1C ZINC001071967070 785434274 /nfs/dbraw/zinc/43/42/74/785434274.db2.gz JRFQJZPTBYRQSA-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)CC[C@@H]1C ZINC001071975823 785457662 /nfs/dbraw/zinc/45/76/62/785457662.db2.gz ZPDLQDPIBJLNHL-KBPBESRZSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)CC[C@@H]1C ZINC001071975823 785457684 /nfs/dbraw/zinc/45/76/84/785457684.db2.gz ZPDLQDPIBJLNHL-KBPBESRZSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)CC[C@@H]1C ZINC001071662634 785476387 /nfs/dbraw/zinc/47/63/87/785476387.db2.gz DXQSGXVWRNMBTC-ZFWWWQNUSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@@H]1C ZINC001071670773 785490976 /nfs/dbraw/zinc/49/09/76/785490976.db2.gz REIDUZRUFUQKNR-UONOGXRCSA-N 1 1 332.404 0.106 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)CC[C@H]1C ZINC001071735191 785609712 /nfs/dbraw/zinc/60/97/12/785609712.db2.gz HQGBHAJPSMLPHW-CABCVRRESA-N 1 1 330.436 0.935 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)CC[C@H]1C ZINC001071735191 785609720 /nfs/dbraw/zinc/60/97/20/785609720.db2.gz HQGBHAJPSMLPHW-CABCVRRESA-N 1 1 330.436 0.935 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001072097127 785663700 /nfs/dbraw/zinc/66/37/00/785663700.db2.gz IVUFMFYPNXSJED-DZGCQCFKSA-N 1 1 332.404 0.195 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@H]1C ZINC001072099054 785667760 /nfs/dbraw/zinc/66/77/60/785667760.db2.gz KPRFGQPYMMBIDE-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C2)nn1 ZINC001072124453 785704002 /nfs/dbraw/zinc/70/40/02/785704002.db2.gz ANZOXYNQHROOEL-UONOGXRCSA-N 1 1 348.451 0.383 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)nc1 ZINC001072285854 785976009 /nfs/dbraw/zinc/97/60/09/785976009.db2.gz BOBUZVFOMORZRM-RHSMWYFYSA-N 1 1 342.443 0.980 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001072316477 786029754 /nfs/dbraw/zinc/02/97/54/786029754.db2.gz CSIVEDYJBXIASC-GDBMZVCRSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001072336789 786042117 /nfs/dbraw/zinc/04/21/17/786042117.db2.gz NRDOOBDNVOSJSG-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CCCO4)C3)C2)C1=O ZINC001072445695 786196105 /nfs/dbraw/zinc/19/61/05/786196105.db2.gz PIAZZOGDAOYQLK-HUUCEWRRSA-N 1 1 333.432 0.487 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001072476073 786239851 /nfs/dbraw/zinc/23/98/51/786239851.db2.gz LCFUUSYSNCQNPV-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C)cn1 ZINC001072479280 786247104 /nfs/dbraw/zinc/24/71/04/786247104.db2.gz VCEWVIAHRUVLER-YOEHRIQHSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ccnn4C)C3)C2)C1=O ZINC001072535742 786339296 /nfs/dbraw/zinc/33/92/96/786339296.db2.gz CRCYHFHCUNVVFI-OAHLLOKOSA-N 1 1 343.431 0.355 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cccc(C(N)=O)c1)C2 ZINC001072552051 786356613 /nfs/dbraw/zinc/35/66/13/786356613.db2.gz MHHVPDBWYXKFQM-ZDUSSCGKSA-N 1 1 326.400 0.979 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)C2 ZINC001072553334 786358583 /nfs/dbraw/zinc/35/85/83/786358583.db2.gz XVEUYXSPPINWLN-CABCVRRESA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001072553357 786358594 /nfs/dbraw/zinc/35/85/94/786358594.db2.gz YGBPEYLBJJAZTM-OLZOCXBDSA-N 1 1 325.434 0.115 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC[C@H](C)C1)C2 ZINC001072553335 786358846 /nfs/dbraw/zinc/35/88/46/786358846.db2.gz XVEUYXSPPINWLN-GJZGRUSLSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001074243412 786495305 /nfs/dbraw/zinc/49/53/05/786495305.db2.gz LJRPBPSWJJJDCT-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 ZINC001074269593 786553745 /nfs/dbraw/zinc/55/37/45/786553745.db2.gz XSFGINQFYNPKPE-GJZGRUSLSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 ZINC001074269593 786553748 /nfs/dbraw/zinc/55/37/48/786553748.db2.gz XSFGINQFYNPKPE-GJZGRUSLSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001073551641 786563935 /nfs/dbraw/zinc/56/39/35/786563935.db2.gz TWLVNGMYFGJTJW-WBVHZDCISA-N 1 1 348.491 0.505 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 ZINC001074301551 786630383 /nfs/dbraw/zinc/63/03/83/786630383.db2.gz CKOSYXWTGLJRDP-HOTGVXAUSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 ZINC001074301551 786630386 /nfs/dbraw/zinc/63/03/86/786630386.db2.gz CKOSYXWTGLJRDP-HOTGVXAUSA-N 1 1 346.431 0.662 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 ZINC001074348979 786729858 /nfs/dbraw/zinc/72/98/58/786729858.db2.gz VIHKCRZGLQWBCA-GJZGRUSLSA-N 1 1 331.420 0.832 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@@H]21 ZINC001074353010 786736042 /nfs/dbraw/zinc/73/60/42/786736042.db2.gz ARPGQAISBRROJS-HOTGVXAUSA-N 1 1 331.420 0.956 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@@H]21 ZINC001074353010 786736047 /nfs/dbraw/zinc/73/60/47/786736047.db2.gz ARPGQAISBRROJS-HOTGVXAUSA-N 1 1 331.420 0.956 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(CCOC)nc2C)C1 ZINC001073601453 786747784 /nfs/dbraw/zinc/74/77/84/786747784.db2.gz MRSNOVQCAMQMBO-OAHLLOKOSA-N 1 1 334.420 0.292 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(CCOC)nc2C)C1 ZINC001073601453 786747793 /nfs/dbraw/zinc/74/77/93/786747793.db2.gz MRSNOVQCAMQMBO-OAHLLOKOSA-N 1 1 334.420 0.292 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CCOC)c2C)C1 ZINC001073601427 786748137 /nfs/dbraw/zinc/74/81/37/786748137.db2.gz MCJWCEMNLRBYBQ-MRXNPFEDSA-N 1 1 348.447 0.682 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 ZINC001074369529 786778432 /nfs/dbraw/zinc/77/84/32/786778432.db2.gz XSAFEIJLHKQFAW-LSDHHAIUSA-N 1 1 334.424 0.331 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 ZINC001074369529 786778439 /nfs/dbraw/zinc/77/84/39/786778439.db2.gz XSAFEIJLHKQFAW-LSDHHAIUSA-N 1 1 334.424 0.331 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3cnccc3=O)C[C@@H]21 ZINC001074372107 786783712 /nfs/dbraw/zinc/78/37/12/786783712.db2.gz RQQQDLYTKVVWAR-HOTGVXAUSA-N 1 1 346.431 0.511 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCn3cnccc3=O)C[C@@H]21 ZINC001074372107 786783723 /nfs/dbraw/zinc/78/37/23/786783723.db2.gz RQQQDLYTKVVWAR-HOTGVXAUSA-N 1 1 346.431 0.511 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625199 786796996 /nfs/dbraw/zinc/79/69/96/786796996.db2.gz CDQSBGJJEXZYGB-CVEARBPZSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625199 786797005 /nfs/dbraw/zinc/79/70/05/786797005.db2.gz CDQSBGJJEXZYGB-CVEARBPZSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073630374 786814902 /nfs/dbraw/zinc/81/49/02/786814902.db2.gz TYQGVKOSAXFPJJ-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001073652326 786877743 /nfs/dbraw/zinc/87/77/43/786877743.db2.gz WPNPTVCVAUVFKD-CQSZACIVSA-N 1 1 344.419 0.830 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001073664799 786912609 /nfs/dbraw/zinc/91/26/09/786912609.db2.gz PONWKGMILMZERS-HOTGVXAUSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2sccc2-n2cnnn2)C1 ZINC001073674874 786943154 /nfs/dbraw/zinc/94/31/54/786943154.db2.gz QMJCVHVDJPKZJR-LBPRGKRZSA-N 1 1 348.432 0.731 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001073710360 787019705 /nfs/dbraw/zinc/01/97/05/787019705.db2.gz YJSFQDQTZVZLHJ-JKSUJKDBSA-N 1 1 347.463 0.932 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@@H](C)C(N)=O)CCCO2)cc1 ZINC001073723939 787063283 /nfs/dbraw/zinc/06/32/83/787063283.db2.gz OVJMMJIABIYCCT-BBRMVZONSA-N 1 1 329.400 0.362 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)CCCO2)cc1 ZINC001073723939 787063296 /nfs/dbraw/zinc/06/32/96/787063296.db2.gz OVJMMJIABIYCCT-BBRMVZONSA-N 1 1 329.400 0.362 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001073739963 787091486 /nfs/dbraw/zinc/09/14/86/787091486.db2.gz ADAQJSZXSFJSTH-QZTJIDSGSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001073739963 787091497 /nfs/dbraw/zinc/09/14/97/787091497.db2.gz ADAQJSZXSFJSTH-QZTJIDSGSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(CCC(C)C)nn2)C1 ZINC001073757500 787138808 /nfs/dbraw/zinc/13/88/08/787138808.db2.gz FKMYPDMJPPWVJD-HNNXBMFYSA-N 1 1 333.436 0.778 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CCC(C)C)nn2)C1 ZINC001073757500 787138812 /nfs/dbraw/zinc/13/88/12/787138812.db2.gz FKMYPDMJPPWVJD-HNNXBMFYSA-N 1 1 333.436 0.778 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001073762651 787151388 /nfs/dbraw/zinc/15/13/88/787151388.db2.gz IXMLLMBEJJCDDE-OAHLLOKOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001073762651 787151392 /nfs/dbraw/zinc/15/13/92/787151392.db2.gz IXMLLMBEJJCDDE-OAHLLOKOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)c1 ZINC001073762704 787151434 /nfs/dbraw/zinc/15/14/34/787151434.db2.gz KQVAEDXAWLJRKB-AEFFLSMTSA-N 1 1 343.427 0.920 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001073764861 787157287 /nfs/dbraw/zinc/15/72/87/787157287.db2.gz MMNIBLRJHANIDC-WMZOPIPTSA-N 1 1 344.459 0.984 20 30 ECEDMO N#CCN1CCCO[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001073766697 787162875 /nfs/dbraw/zinc/16/28/75/787162875.db2.gz MEJGRKNLGHZKTE-OAHLLOKOSA-N 1 1 347.419 0.615 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cnn(C)c2)CCCO1 ZINC001073774755 787180371 /nfs/dbraw/zinc/18/03/71/787180371.db2.gz KCTWSNYVSNDFRE-ZACQAIPSSA-N 1 1 348.447 0.718 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)c2)CCCO1 ZINC001073774755 787180377 /nfs/dbraw/zinc/18/03/77/787180377.db2.gz KCTWSNYVSNDFRE-ZACQAIPSSA-N 1 1 348.447 0.718 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001073796257 787218270 /nfs/dbraw/zinc/21/82/70/787218270.db2.gz KZGFLHBVCGFQQP-RDJZCZTQSA-N 1 1 332.375 0.970 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001073796257 787218277 /nfs/dbraw/zinc/21/82/77/787218277.db2.gz KZGFLHBVCGFQQP-RDJZCZTQSA-N 1 1 332.375 0.970 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073810383 787241535 /nfs/dbraw/zinc/24/15/35/787241535.db2.gz RGDDVWVIIDMLLH-PMPSAXMXSA-N 1 1 326.437 0.557 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2C[N@H+](CC#CC)CCCO2)nn1 ZINC001073813167 787246260 /nfs/dbraw/zinc/24/62/60/787246260.db2.gz QABXFCSRMQFVRB-HNNXBMFYSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2C[N@@H+](CC#CC)CCCO2)nn1 ZINC001073813167 787246266 /nfs/dbraw/zinc/24/62/66/787246266.db2.gz QABXFCSRMQFVRB-HNNXBMFYSA-N 1 1 331.420 0.698 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001073815772 787250328 /nfs/dbraw/zinc/25/03/28/787250328.db2.gz JYUHGXLXOSQYKR-IXDOHACOSA-N 1 1 346.431 0.129 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001073815772 787250333 /nfs/dbraw/zinc/25/03/33/787250333.db2.gz JYUHGXLXOSQYKR-IXDOHACOSA-N 1 1 346.431 0.129 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)s2)C1 ZINC001073816158 787252054 /nfs/dbraw/zinc/25/20/54/787252054.db2.gz WFOCHHZQVXSCCV-LBPRGKRZSA-N 1 1 335.429 0.691 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)s2)C1 ZINC001073816158 787252062 /nfs/dbraw/zinc/25/20/62/787252062.db2.gz WFOCHHZQVXSCCV-LBPRGKRZSA-N 1 1 335.429 0.691 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001073821508 787267966 /nfs/dbraw/zinc/26/79/66/787267966.db2.gz LJRXXWIUDLFBFZ-CQSZACIVSA-N 1 1 332.404 0.107 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001073824341 787276273 /nfs/dbraw/zinc/27/62/73/787276273.db2.gz QVIGUZJYRYTIEC-AWEZNQCLSA-N 1 1 344.419 0.911 20 30 ECEDMO O=C(NC[C@H]1C[N@H+](CC#Cc2ccccc2)CCCO1)c1cnon1 ZINC001073827965 787290565 /nfs/dbraw/zinc/29/05/65/787290565.db2.gz BNWJMKXWTLWSBR-INIZCTEOSA-N 1 1 340.383 0.942 20 30 ECEDMO O=C(NC[C@H]1C[N@@H+](CC#Cc2ccccc2)CCCO1)c1cnon1 ZINC001073827965 787290568 /nfs/dbraw/zinc/29/05/68/787290568.db2.gz BNWJMKXWTLWSBR-INIZCTEOSA-N 1 1 340.383 0.942 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 ZINC001073836351 787313583 /nfs/dbraw/zinc/31/35/83/787313583.db2.gz BOXNQJMILVWTEK-HNNXBMFYSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001073844552 787336686 /nfs/dbraw/zinc/33/66/86/787336686.db2.gz SVGKSMIKWVGDAC-MRXNPFEDSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001073844552 787336696 /nfs/dbraw/zinc/33/66/96/787336696.db2.gz SVGKSMIKWVGDAC-MRXNPFEDSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001073847608 787345219 /nfs/dbraw/zinc/34/52/19/787345219.db2.gz FMGSNYIFIVIPLA-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001073856243 787373256 /nfs/dbraw/zinc/37/32/56/787373256.db2.gz AIKJAZXPXJSTSF-CQSZACIVSA-N 1 1 342.403 0.277 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001073862698 787390406 /nfs/dbraw/zinc/39/04/06/787390406.db2.gz WQUOJTXCURQLMN-KRWDZBQOSA-N 1 1 343.427 0.842 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001073862698 787390416 /nfs/dbraw/zinc/39/04/16/787390416.db2.gz WQUOJTXCURQLMN-KRWDZBQOSA-N 1 1 343.427 0.842 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001073869802 787404680 /nfs/dbraw/zinc/40/46/80/787404680.db2.gz IJZSNYAGDZRFKZ-HNNXBMFYSA-N 1 1 329.400 0.861 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001073869802 787404684 /nfs/dbraw/zinc/40/46/84/787404684.db2.gz IJZSNYAGDZRFKZ-HNNXBMFYSA-N 1 1 329.400 0.861 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001073872549 787412822 /nfs/dbraw/zinc/41/28/22/787412822.db2.gz SUIWXOGXBAAUNP-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001073872549 787412828 /nfs/dbraw/zinc/41/28/28/787412828.db2.gz SUIWXOGXBAAUNP-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001073873615 787416786 /nfs/dbraw/zinc/41/67/86/787416786.db2.gz FXWJCHXYIYRNRD-GJZGRUSLSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001073873615 787416789 /nfs/dbraw/zinc/41/67/89/787416789.db2.gz FXWJCHXYIYRNRD-GJZGRUSLSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001073878580 787423926 /nfs/dbraw/zinc/42/39/26/787423926.db2.gz PDIUDWOCURVCLL-INIZCTEOSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001073878580 787423934 /nfs/dbraw/zinc/42/39/34/787423934.db2.gz PDIUDWOCURVCLL-INIZCTEOSA-N 1 1 340.387 0.116 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001073885851 787434143 /nfs/dbraw/zinc/43/41/43/787434143.db2.gz AGQLSDTYNDLSLE-OAHLLOKOSA-N 1 1 338.452 0.560 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001073886465 787436925 /nfs/dbraw/zinc/43/69/25/787436925.db2.gz PFQYYDPIFGTLHR-CQSZACIVSA-N 1 1 327.388 0.802 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074626396 787439835 /nfs/dbraw/zinc/43/98/35/787439835.db2.gz VSRIDQVKCWIVSQ-UHFFFAOYSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(Cl)CN1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001073896423 787465819 /nfs/dbraw/zinc/46/58/19/787465819.db2.gz RTNHAGNIFKTWHN-LSDHHAIUSA-N 1 1 345.871 0.667 20 30 ECEDMO C=C(Cl)CN1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896423 787465825 /nfs/dbraw/zinc/46/58/25/787465825.db2.gz RTNHAGNIFKTWHN-LSDHHAIUSA-N 1 1 345.871 0.667 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001073902042 787483656 /nfs/dbraw/zinc/48/36/56/787483656.db2.gz QDDQZINIAGRTTL-HUUCEWRRSA-N 1 1 333.436 0.624 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001073905407 787490215 /nfs/dbraw/zinc/49/02/15/787490215.db2.gz DPRZTVOYLRXRFE-CQSZACIVSA-N 1 1 346.431 0.967 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3nnn(C)c32)C1 ZINC001073914891 787520475 /nfs/dbraw/zinc/52/04/75/787520475.db2.gz IFQIOKUANGUGLL-AWEZNQCLSA-N 1 1 341.415 0.812 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001074730978 787719155 /nfs/dbraw/zinc/71/91/55/787719155.db2.gz CFIJZFMQEYKYKF-MRXNPFEDSA-N 1 1 349.475 0.457 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)CSCC#N)C[C@@H]1C ZINC001074844112 788420632 /nfs/dbraw/zinc/42/06/32/788420632.db2.gz WKEKUSFRIZUGBQ-JSGCOSHPSA-N 1 1 349.460 0.944 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](C)C1 ZINC001072737373 788674212 /nfs/dbraw/zinc/67/42/12/788674212.db2.gz RWMUHDJXNPTTJG-WFASDCNBSA-N 1 1 331.420 0.805 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001074990313 788677141 /nfs/dbraw/zinc/67/71/41/788677141.db2.gz DVVSNQIZLSCZFK-CVEARBPZSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001072739802 788680929 /nfs/dbraw/zinc/68/09/29/788680929.db2.gz QUNSRVKCHRDORL-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001075000076 788699817 /nfs/dbraw/zinc/69/98/17/788699817.db2.gz SUXGHBZYCRPDLO-DZGCQCFKSA-N 1 1 334.420 0.890 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnnn3C)[C@@H]2C)nc1 ZINC001075049776 788799585 /nfs/dbraw/zinc/79/95/85/788799585.db2.gz KBPSVWQHGMKMHR-DYEKYZERSA-N 1 1 339.403 0.540 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)CN3CCCS3(=O)=O)C2)C1 ZINC001072799984 788825940 /nfs/dbraw/zinc/82/59/40/788825940.db2.gz WPWPLMKOYXHLNI-UHFFFAOYSA-N 1 1 327.450 0.132 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001072867469 788993191 /nfs/dbraw/zinc/99/31/91/788993191.db2.gz DXIZGBLXHZGEKB-ZDUSSCGKSA-N 1 1 329.404 0.104 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001072895023 789055882 /nfs/dbraw/zinc/05/58/82/789055882.db2.gz WYVFKVRFAYIBMH-UHFFFAOYSA-N 1 1 326.828 0.689 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001072895023 789055889 /nfs/dbraw/zinc/05/58/89/789055889.db2.gz WYVFKVRFAYIBMH-UHFFFAOYSA-N 1 1 326.828 0.689 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC001072902989 789074778 /nfs/dbraw/zinc/07/47/78/789074778.db2.gz KFLVDTHVQUCGPN-UHFFFAOYSA-N 1 1 339.823 0.812 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC001072902989 789074786 /nfs/dbraw/zinc/07/47/86/789074786.db2.gz KFLVDTHVQUCGPN-UHFFFAOYSA-N 1 1 339.823 0.812 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cnc4sccn4c3=O)C2)C1 ZINC001072903252 789076474 /nfs/dbraw/zinc/07/64/74/789076474.db2.gz VWBGWBJGAHALCH-UHFFFAOYSA-N 1 1 328.397 0.537 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001072936254 789137003 /nfs/dbraw/zinc/13/70/03/789137003.db2.gz WZKWCBASQIHQBF-UHFFFAOYSA-N 1 1 338.411 0.858 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001072936254 789137008 /nfs/dbraw/zinc/13/70/08/789137008.db2.gz WZKWCBASQIHQBF-UHFFFAOYSA-N 1 1 338.411 0.858 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073026280 789297665 /nfs/dbraw/zinc/29/76/65/789297665.db2.gz ZBXAIJDVRAAOKK-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073026280 789297670 /nfs/dbraw/zinc/29/76/70/789297670.db2.gz ZBXAIJDVRAAOKK-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3ncnn3)CC2)CC1 ZINC001075452428 789377392 /nfs/dbraw/zinc/37/73/92/789377392.db2.gz GOYSGSVJQADUCQ-OAHLLOKOSA-N 1 1 330.436 0.647 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C2)C1 ZINC001073135486 789507505 /nfs/dbraw/zinc/50/75/05/789507505.db2.gz HUJGGKOEASDZSX-UHFFFAOYSA-N 1 1 337.379 0.741 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001073154020 789538232 /nfs/dbraw/zinc/53/82/32/789538232.db2.gz JICVJOBAOGNAHO-CQSZACIVSA-N 1 1 336.436 0.366 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001073183876 789587721 /nfs/dbraw/zinc/58/77/21/789587721.db2.gz XTIAVGSLOZELPJ-RDTXWAMCSA-N 1 1 337.464 0.905 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001073379102 789773290 /nfs/dbraw/zinc/77/32/90/789773290.db2.gz UINULJRNLHSQAT-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001073379102 789773295 /nfs/dbraw/zinc/77/32/95/789773295.db2.gz UINULJRNLHSQAT-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCN1CC[C@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073425529 789820740 /nfs/dbraw/zinc/82/07/40/789820740.db2.gz AANLQTBSYKUJPI-CVEARBPZSA-N 1 1 346.475 0.259 20 30 ECEDMO C=CCN1CC[C@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073425529 789820747 /nfs/dbraw/zinc/82/07/47/789820747.db2.gz AANLQTBSYKUJPI-CVEARBPZSA-N 1 1 346.475 0.259 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)c3cn(CC(=O)N(C)C)nn3)C2)C1 ZINC001073459021 789866140 /nfs/dbraw/zinc/86/61/40/789866140.db2.gz HLSXHFHFSCSJKU-UHFFFAOYSA-N 1 1 346.435 0.090 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC(Nc2ccc(C#N)nn2)C1 ZINC001069719979 789987319 /nfs/dbraw/zinc/98/73/19/789987319.db2.gz ZWFDUKXUTVYYDP-RUXDESIVSA-N 1 1 330.392 0.080 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC(Nc2ccc(C#N)nn2)C1 ZINC001069719979 789987324 /nfs/dbraw/zinc/98/73/24/789987324.db2.gz ZWFDUKXUTVYYDP-RUXDESIVSA-N 1 1 330.392 0.080 20 30 ECEDMO Cc1cc(NC2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001069719953 789987701 /nfs/dbraw/zinc/98/77/01/789987701.db2.gz YSVATLSABMORBG-DQPZFDDXSA-N 1 1 343.431 0.416 20 30 ECEDMO Cc1cc(NC2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001069719953 789987705 /nfs/dbraw/zinc/98/77/05/789987705.db2.gz YSVATLSABMORBG-DQPZFDDXSA-N 1 1 343.431 0.416 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(c3cncc(C#N)n3)CC2)C1 ZINC001069820378 790054428 /nfs/dbraw/zinc/05/44/28/790054428.db2.gz NIVMQEOEZYGROO-AWEZNQCLSA-N 1 1 326.404 0.553 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)c2C1 ZINC001069860680 790113056 /nfs/dbraw/zinc/11/30/56/790113056.db2.gz DMKWDUUYWWZROG-WBVHZDCISA-N 1 1 341.459 0.823 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001069917301 790187073 /nfs/dbraw/zinc/18/70/73/790187073.db2.gz LMOZPDXPCRNWRW-KGLIPLIRSA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001069917301 790187076 /nfs/dbraw/zinc/18/70/76/790187076.db2.gz LMOZPDXPCRNWRW-KGLIPLIRSA-N 1 1 327.392 0.608 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929964 790202431 /nfs/dbraw/zinc/20/24/31/790202431.db2.gz WFABSCKVNBGHGM-LZWOXQAQSA-N 1 1 343.435 0.733 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069932136 790205139 /nfs/dbraw/zinc/20/51/39/790205139.db2.gz RVZMHNBFWPYSCU-JJXSEGSLSA-N 1 1 332.452 0.536 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@@H](n2ccnn2)C1 ZINC001069936490 790210311 /nfs/dbraw/zinc/21/03/11/790210311.db2.gz DZMBXZIFAMPHJF-YPMHNXCESA-N 1 1 349.345 0.548 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@@H](n2ccnn2)C1 ZINC001069936490 790210316 /nfs/dbraw/zinc/21/03/16/790210316.db2.gz DZMBXZIFAMPHJF-YPMHNXCESA-N 1 1 349.345 0.548 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C3CC3)cnn2C)[C@@H](n2ccnn2)C1 ZINC001069944211 790221712 /nfs/dbraw/zinc/22/17/12/790221712.db2.gz CASCJVMEYZJBJR-CABCVRRESA-N 1 1 341.419 0.730 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C3CC3)cnn2C)[C@@H](n2ccnn2)C1 ZINC001069944211 790221716 /nfs/dbraw/zinc/22/17/16/790221716.db2.gz CASCJVMEYZJBJR-CABCVRRESA-N 1 1 341.419 0.730 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2Cl)[C@@H](n2ccnn2)C1 ZINC001069959388 790241384 /nfs/dbraw/zinc/24/13/84/790241384.db2.gz SQSBZVOPZHGHRP-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001068858413 791277966 /nfs/dbraw/zinc/27/79/66/791277966.db2.gz DSFCSZJYNDZLRD-OAHLLOKOSA-N 1 1 335.448 0.472 20 30 ECEDMO C[C@@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068871048 791313950 /nfs/dbraw/zinc/31/39/50/791313950.db2.gz KWBSBHOYSMSJRK-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001068873293 791317477 /nfs/dbraw/zinc/31/74/77/791317477.db2.gz BQGVYKBLWYAMNM-HUUCEWRRSA-N 1 1 333.432 0.084 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885475 791342582 /nfs/dbraw/zinc/34/25/82/791342582.db2.gz XGBLLURZYNPVRM-BZUAXINKSA-N 1 1 347.459 0.472 20 30 ECEDMO C[C@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001068944849 791480043 /nfs/dbraw/zinc/48/00/43/791480043.db2.gz BIPUZLLJZLXUDH-UONOGXRCSA-N 1 1 342.447 0.903 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068950139 791487954 /nfs/dbraw/zinc/48/79/54/791487954.db2.gz UVPGSBAXKZWGLM-KGLIPLIRSA-N 1 1 335.448 0.636 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C[C@H]1C ZINC001069107867 791708258 /nfs/dbraw/zinc/70/82/58/791708258.db2.gz SVDDQVWHOQCCON-YPMHNXCESA-N 1 1 325.376 0.377 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](CNc2ccncc2C#N)C1 ZINC001066675452 791967718 /nfs/dbraw/zinc/96/77/18/791967718.db2.gz KDIUBEZBBFFVNQ-GDBMZVCRSA-N 1 1 343.431 0.499 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3ccncc3C#N)C2)C1 ZINC001066675737 791969734 /nfs/dbraw/zinc/96/97/34/791969734.db2.gz RSCVZGVKIYREQT-ZBFHGGJFSA-N 1 1 343.431 0.356 20 30 ECEDMO Cc1cc(N2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H](O)C2)nc(C)[nH+]1 ZINC001067667311 791993310 /nfs/dbraw/zinc/99/33/10/791993310.db2.gz KXOYJSRBFSGHQK-IUODEOHRSA-N 1 1 340.387 0.520 20 30 ECEDMO Cc1cc(N2C[C@H](O)[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nc(C)[nH+]1 ZINC001067667310 791993670 /nfs/dbraw/zinc/99/36/70/791993670.db2.gz KXOYJSRBFSGHQK-DOMZBBRYSA-N 1 1 340.387 0.520 20 30 ECEDMO N#Cc1nccc(N2CC[NH+]([C@H]3CCN(C(=O)CC4CC4)C3)CC2)n1 ZINC001066696885 792013206 /nfs/dbraw/zinc/01/32/06/792013206.db2.gz WLUXRUTUPNZAPL-HNNXBMFYSA-N 1 1 340.431 0.871 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066736154 792069088 /nfs/dbraw/zinc/06/90/88/792069088.db2.gz GOCZHLKORLCHHW-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066736154 792069098 /nfs/dbraw/zinc/06/90/98/792069098.db2.gz GOCZHLKORLCHHW-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)CC2)C1 ZINC001066736427 792071846 /nfs/dbraw/zinc/07/18/46/792071846.db2.gz MZMALXYTXHYOGZ-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)CC2)C1 ZINC001066736427 792071859 /nfs/dbraw/zinc/07/18/59/792071859.db2.gz MZMALXYTXHYOGZ-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066749898 792095742 /nfs/dbraw/zinc/09/57/42/792095742.db2.gz COVJMVFQJVDUDD-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ncccn1 ZINC001067709425 792165086 /nfs/dbraw/zinc/16/50/86/792165086.db2.gz VOCRMPBIDZQSOK-HNNXBMFYSA-N 1 1 343.431 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ncccn1 ZINC001067709425 792165091 /nfs/dbraw/zinc/16/50/91/792165091.db2.gz VOCRMPBIDZQSOK-HNNXBMFYSA-N 1 1 343.431 0.495 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1ccc(C#N)nn1 ZINC001067741937 792210737 /nfs/dbraw/zinc/21/07/37/792210737.db2.gz DHNGTUDHAVNMAE-HUUCEWRRSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1ccnc(C#N)n1 ZINC001067763211 792246458 /nfs/dbraw/zinc/24/64/58/792246458.db2.gz SLMPKHJLFIWNKI-UONOGXRCSA-N 1 1 328.420 0.727 20 30 ECEDMO Cc1nsc(NCC2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001067838298 792350516 /nfs/dbraw/zinc/35/05/16/792350516.db2.gz BRDNRBQRJGDWEI-ORHYLEIMSA-N 1 1 349.460 0.961 20 30 ECEDMO Cc1nsc(NCC2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001067838298 792350524 /nfs/dbraw/zinc/35/05/24/792350524.db2.gz BRDNRBQRJGDWEI-ORHYLEIMSA-N 1 1 349.460 0.961 20 30 ECEDMO Cc1cc(C#N)nc(NCC2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001067838567 792351999 /nfs/dbraw/zinc/35/19/99/792351999.db2.gz NVXAAMHLEGIWCK-SSDMNJCBSA-N 1 1 344.419 0.294 20 30 ECEDMO Cc1cc(C#N)nc(NCC2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001067838567 792352005 /nfs/dbraw/zinc/35/20/05/792352005.db2.gz NVXAAMHLEGIWCK-SSDMNJCBSA-N 1 1 344.419 0.294 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2nccnc2C#N)CC[C@@H]1C ZINC001067961084 792508261 /nfs/dbraw/zinc/50/82/61/792508261.db2.gz MVFCJSSTEYORMD-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1C ZINC001067980207 792537982 /nfs/dbraw/zinc/53/79/82/792537982.db2.gz LOYJNAXWQLIBEN-JSGCOSHPSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3ccc(C#N)cn3)CC2(C)C)C1 ZINC001068102006 792672284 /nfs/dbraw/zinc/67/22/84/792672284.db2.gz FHTQYHMINQXNNN-CABCVRRESA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3ccc(C#N)cn3)CC2(C)C)C1 ZINC001068102006 792672290 /nfs/dbraw/zinc/67/22/90/792672290.db2.gz FHTQYHMINQXNNN-CABCVRRESA-N 1 1 343.431 0.615 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067115920 792712879 /nfs/dbraw/zinc/71/28/79/792712879.db2.gz BHHHNKLXGTYQOJ-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2nccnc2C#N)CC1(C)C ZINC001068126519 792716114 /nfs/dbraw/zinc/71/61/14/792716114.db2.gz DJQMHJSLEYBHND-CQSZACIVSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H](Nc2ccc(C#N)nn2)C1 ZINC001067165774 792769056 /nfs/dbraw/zinc/76/90/56/792769056.db2.gz BHNIRNAMLUTQNR-SMDDNHRTSA-N 1 1 325.376 0.812 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001068190114 792811741 /nfs/dbraw/zinc/81/17/41/792811741.db2.gz PLBGVBYIEAMWLW-AYDFFVQHSA-N 1 1 340.431 0.631 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)C[N@H+](C)CCC ZINC001067292159 792944718 /nfs/dbraw/zinc/94/47/18/792944718.db2.gz DJJAIKJFJBIUMA-QGZVFWFLSA-N 1 1 327.469 0.962 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001067293220 792946784 /nfs/dbraw/zinc/94/67/84/792946784.db2.gz OVVRSSAVMWULAA-QGZVFWFLSA-N 1 1 327.469 0.961 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)C#CC1CC1 ZINC001067380589 793062707 /nfs/dbraw/zinc/06/27/07/793062707.db2.gz PSKVBPVHVDTJGO-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001067430369 793145217 /nfs/dbraw/zinc/14/52/17/793145217.db2.gz DUBSKVHMBMQCGC-BZUAXINKSA-N 1 1 337.464 0.672 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C#CC(C)C)CCO2 ZINC001068394803 793201453 /nfs/dbraw/zinc/20/14/53/793201453.db2.gz GWGAUSYIZYSMSH-UHFFFAOYSA-N 1 1 335.448 0.427 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001068399259 793217682 /nfs/dbraw/zinc/21/76/82/793217682.db2.gz WFGRHZZRMRWCEE-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267466027 837471282 /nfs/dbraw/zinc/47/12/82/837471282.db2.gz LBGCQAUUKKOQLG-ZIAGYGMSSA-N 1 1 331.420 0.492 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267466027 837471288 /nfs/dbraw/zinc/47/12/88/837471288.db2.gz LBGCQAUUKKOQLG-ZIAGYGMSSA-N 1 1 331.420 0.492 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001267496638 837567804 /nfs/dbraw/zinc/56/78/04/837567804.db2.gz XKBKTWWVOXMJHH-HNNXBMFYSA-N 1 1 348.447 0.655 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267496626 837567922 /nfs/dbraw/zinc/56/79/22/837567922.db2.gz XHPBKCUYROBYGO-KBPBESRZSA-N 1 1 334.420 0.311 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2cccn2)C1 ZINC001267502478 837578254 /nfs/dbraw/zinc/57/82/54/837578254.db2.gz UWJSXWPTXABLKY-CABCVRRESA-N 1 1 333.436 0.402 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCCO1)c1ccccc1 ZINC001267516985 837611124 /nfs/dbraw/zinc/61/11/24/837611124.db2.gz IHRWCWLKVAGVGL-LSDHHAIUSA-N 1 1 330.388 0.252 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC=C)C1 ZINC001267535581 837712413 /nfs/dbraw/zinc/71/24/13/837712413.db2.gz BCBAOQHRPOMQKD-SJORKVTESA-N 1 1 346.475 0.214 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)CN2CCCS2(=O)=O)C1 ZINC001267535570 837712789 /nfs/dbraw/zinc/71/27/89/837712789.db2.gz ARHAXSNFTTYTGY-HNNXBMFYSA-N 1 1 343.493 0.816 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001267536330 837715946 /nfs/dbraw/zinc/71/59/46/837715946.db2.gz QWUXHEJOTHDKDV-RYUDHWBXSA-N 1 1 328.363 0.500 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cccc(=O)[nH]2)C1 ZINC001267539774 837724448 /nfs/dbraw/zinc/72/44/48/837724448.db2.gz JTERUKWTWLFQEE-CQSZACIVSA-N 1 1 344.415 0.463 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cccc(=O)[nH]2)C1 ZINC001267539774 837724455 /nfs/dbraw/zinc/72/44/55/837724455.db2.gz JTERUKWTWLFQEE-CQSZACIVSA-N 1 1 344.415 0.463 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CCC)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267542263 837730670 /nfs/dbraw/zinc/73/06/70/837730670.db2.gz SKZLBTQRFKDMRE-ZBFHGGJFSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CCC)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001267542263 837730683 /nfs/dbraw/zinc/73/06/83/837730683.db2.gz SKZLBTQRFKDMRE-ZBFHGGJFSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001267544691 837734318 /nfs/dbraw/zinc/73/43/18/837734318.db2.gz MLOPRWZKVJYOJN-LLVKDONJSA-N 1 1 327.406 0.555 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2cncn2)C1 ZINC001267548668 837746129 /nfs/dbraw/zinc/74/61/29/837746129.db2.gz KLKYLVMVICHVBB-HUUCEWRRSA-N 1 1 348.451 0.282 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2cncn2)C1 ZINC001267548668 837746142 /nfs/dbraw/zinc/74/61/42/837746142.db2.gz KLKYLVMVICHVBB-HUUCEWRRSA-N 1 1 348.451 0.282 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cc(F)c[nH]2)C1 ZINC001267552287 837757208 /nfs/dbraw/zinc/75/72/08/837757208.db2.gz MBLVOHKFODXLOM-CHWSQXEVSA-N 1 1 334.395 0.734 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)CSC)C1 ZINC001267554053 837758617 /nfs/dbraw/zinc/75/86/17/837758617.db2.gz DUJKDUYKAIYGJI-KGLIPLIRSA-N 1 1 325.478 0.563 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C#CC(C)C)C1 ZINC001267556612 837764532 /nfs/dbraw/zinc/76/45/32/837764532.db2.gz RUGJVCCFBHGWTE-HNNXBMFYSA-N 1 1 348.447 0.486 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)Cc2cn(C)nc2C)C1 ZINC001267557301 837765361 /nfs/dbraw/zinc/76/53/61/837765361.db2.gz BSWAEEGXAHVGDA-MRXNPFEDSA-N 1 1 332.448 0.749 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001267557036 837764549 /nfs/dbraw/zinc/76/45/49/837764549.db2.gz XJNASGLTXZNXQU-CABCVRRESA-N 1 1 335.448 0.474 20 30 ECEDMO CCc1cccnc1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267557606 837766082 /nfs/dbraw/zinc/76/60/82/837766082.db2.gz IZOSWBKWTBNJGH-AWEZNQCLSA-N 1 1 343.431 0.726 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2coc(OCC)n2)C1 ZINC001267561572 837773308 /nfs/dbraw/zinc/77/33/08/837773308.db2.gz SBFAOHLRFAWKAP-CYBMUJFWSA-N 1 1 348.403 0.265 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001267571683 837806461 /nfs/dbraw/zinc/80/64/61/837806461.db2.gz QOJVNMQHZYMKAZ-AWEZNQCLSA-N 1 1 348.451 0.384 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2ccc3c(c2)CCO3)CC1 ZINC001267574327 837820621 /nfs/dbraw/zinc/82/06/21/837820621.db2.gz CLMGDMVMYJIXQO-UHFFFAOYSA-N 1 1 327.428 0.944 20 30 ECEDMO C=CCN1CCN(CCN(C)C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001267575330 837825757 /nfs/dbraw/zinc/82/57/57/837825757.db2.gz BCEMRZPZVMYZRL-UHFFFAOYSA-N 1 1 338.496 0.359 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)c2cn(C3CCC3)nn2)CC1 ZINC001266262080 835572378 /nfs/dbraw/zinc/57/23/78/835572378.db2.gz AYQZBSMUGZWBDP-UHFFFAOYSA-N 1 1 344.463 0.764 20 30 ECEDMO C#CCCCC(=O)NCCC[NH+]1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC001266263140 835574887 /nfs/dbraw/zinc/57/48/87/835574887.db2.gz VWRMGDIBDFTJDP-MRXNPFEDSA-N 1 1 336.480 0.391 20 30 ECEDMO CO[C@@H]1COCC[C@H]1CC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001266265149 835578409 /nfs/dbraw/zinc/57/84/09/835578409.db2.gz XEYSCVWJPKEVHK-JKSUJKDBSA-N 1 1 338.452 0.075 20 30 ECEDMO CC(=O)N[C@H](C(=O)NCCC[NH+]1CCN(CC#N)CC1)C1CCCC1 ZINC001266267278 835584967 /nfs/dbraw/zinc/58/49/67/835584967.db2.gz WRKXGNPEOYZQSJ-KRWDZBQOSA-N 1 1 349.479 0.329 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001266271979 835593854 /nfs/dbraw/zinc/59/38/54/835593854.db2.gz PBHMXKFITUMPMD-AWEZNQCLSA-N 1 1 335.791 0.848 20 30 ECEDMO C[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001266271979 835593857 /nfs/dbraw/zinc/59/38/57/835593857.db2.gz PBHMXKFITUMPMD-AWEZNQCLSA-N 1 1 335.791 0.848 20 30 ECEDMO COCC(=O)N(C)CC(=O)NCC[N@H+](C)CC#Cc1ccccc1 ZINC001266280961 835609352 /nfs/dbraw/zinc/60/93/52/835609352.db2.gz ZPCLWTIESDAAIC-UHFFFAOYSA-N 1 1 331.416 0.191 20 30 ECEDMO COCC(=O)N(C)CC(=O)NCC[N@@H+](C)CC#Cc1ccccc1 ZINC001266280961 835609357 /nfs/dbraw/zinc/60/93/57/835609357.db2.gz ZPCLWTIESDAAIC-UHFFFAOYSA-N 1 1 331.416 0.191 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)COc2ccc(F)c(F)c2)CC1 ZINC001266299337 835655994 /nfs/dbraw/zinc/65/59/94/835655994.db2.gz PEWOWUMKLKJDCW-UHFFFAOYSA-N 1 1 337.370 0.711 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001266314342 835682399 /nfs/dbraw/zinc/68/23/99/835682399.db2.gz WRVSRSTVRMBKDZ-KGLIPLIRSA-N 1 1 347.463 0.264 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001266314342 835682402 /nfs/dbraw/zinc/68/24/02/835682402.db2.gz WRVSRSTVRMBKDZ-KGLIPLIRSA-N 1 1 347.463 0.264 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2C[N@H+](Cc3cn(CC)nn3)C[C@@H]2C1 ZINC001279362182 835700139 /nfs/dbraw/zinc/70/01/39/835700139.db2.gz DRIKJGMPWKWONZ-GASCZTMLSA-N 1 1 331.420 0.228 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2C[N@@H+](Cc3cn(CC)nn3)C[C@@H]2C1 ZINC001279362182 835700144 /nfs/dbraw/zinc/70/01/44/835700144.db2.gz DRIKJGMPWKWONZ-GASCZTMLSA-N 1 1 331.420 0.228 20 30 ECEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001266326413 835704790 /nfs/dbraw/zinc/70/47/90/835704790.db2.gz BYCVSCLYIUUIJW-CABCVRRESA-N 1 1 333.819 0.861 20 30 ECEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001266326413 835704797 /nfs/dbraw/zinc/70/47/97/835704797.db2.gz BYCVSCLYIUUIJW-CABCVRRESA-N 1 1 333.819 0.861 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001266327358 835706907 /nfs/dbraw/zinc/70/69/07/835706907.db2.gz DBNDCWVFOKHAMT-CHWSQXEVSA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001266327358 835706913 /nfs/dbraw/zinc/70/69/13/835706913.db2.gz DBNDCWVFOKHAMT-CHWSQXEVSA-N 1 1 333.436 0.857 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccco1 ZINC001266328590 835710885 /nfs/dbraw/zinc/71/08/85/835710885.db2.gz JMBLBMUKDRCROX-IMJJTQAJSA-N 1 1 349.431 0.923 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NCc1ccco1 ZINC001266328590 835710889 /nfs/dbraw/zinc/71/08/89/835710889.db2.gz JMBLBMUKDRCROX-IMJJTQAJSA-N 1 1 349.431 0.923 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001266330150 835712220 /nfs/dbraw/zinc/71/22/20/835712220.db2.gz BPDBOLHCNHYGSO-AWEZNQCLSA-N 1 1 332.404 0.456 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001266330150 835712224 /nfs/dbraw/zinc/71/22/24/835712224.db2.gz BPDBOLHCNHYGSO-AWEZNQCLSA-N 1 1 332.404 0.456 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001266336160 835719731 /nfs/dbraw/zinc/71/97/31/835719731.db2.gz KVHRQVMKNWLNQZ-FUHWJXTLSA-N 1 1 349.475 0.470 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001266336160 835719734 /nfs/dbraw/zinc/71/97/34/835719734.db2.gz KVHRQVMKNWLNQZ-FUHWJXTLSA-N 1 1 349.475 0.470 20 30 ECEDMO C[N@@H+](CCNC(=O)C1CC(=O)NC(=O)C1)Cc1cccc(C#N)c1 ZINC001266338215 835722436 /nfs/dbraw/zinc/72/24/36/835722436.db2.gz YVMWEBALCGMVSM-UHFFFAOYSA-N 1 1 328.372 0.159 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnn2ccccc12 ZINC001266340202 835725433 /nfs/dbraw/zinc/72/54/33/835725433.db2.gz NSSSXZBYGIUDDR-ZDUSSCGKSA-N 1 1 327.388 0.134 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnn2ccccc12 ZINC001266340202 835725435 /nfs/dbraw/zinc/72/54/35/835725435.db2.gz NSSSXZBYGIUDDR-ZDUSSCGKSA-N 1 1 327.388 0.134 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccncn1 ZINC001266340254 835725945 /nfs/dbraw/zinc/72/59/45/835725945.db2.gz PXOAFWJJNXEJFM-AWEZNQCLSA-N 1 1 333.436 0.951 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccncn1 ZINC001266340254 835725949 /nfs/dbraw/zinc/72/59/49/835725949.db2.gz PXOAFWJJNXEJFM-AWEZNQCLSA-N 1 1 333.436 0.951 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001266353331 835754122 /nfs/dbraw/zinc/75/41/22/835754122.db2.gz UCUGTPDQLWBTRK-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001266353331 835754130 /nfs/dbraw/zinc/75/41/30/835754130.db2.gz UCUGTPDQLWBTRK-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C[C@H](O)COC)C2)CCOCC1 ZINC001266356102 835760752 /nfs/dbraw/zinc/76/07/52/835760752.db2.gz QPWJEGXDXIDHCB-GJZGRUSLSA-N 1 1 326.437 0.557 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001266358405 835764183 /nfs/dbraw/zinc/76/41/83/835764183.db2.gz CSWKWZWDYOKSCP-AWEZNQCLSA-N 1 1 333.436 0.628 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)CCc2ccoc2)CC1 ZINC001266369002 835780603 /nfs/dbraw/zinc/78/06/03/835780603.db2.gz PJVHOVFHIRLTLN-HNNXBMFYSA-N 1 1 344.415 0.823 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)[C@@H](C)COC)CC1 ZINC001266384847 835795539 /nfs/dbraw/zinc/79/55/39/835795539.db2.gz WYRDFHRNPWNSLX-HNNXBMFYSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)Cc1cnn2ccccc12 ZINC001266394404 835801124 /nfs/dbraw/zinc/80/11/24/835801124.db2.gz OKLDJXQUQNLQOV-UHFFFAOYSA-N 1 1 341.415 0.064 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)Cc1cnn2ccccc12 ZINC001266394404 835801132 /nfs/dbraw/zinc/80/11/32/835801132.db2.gz OKLDJXQUQNLQOV-UHFFFAOYSA-N 1 1 341.415 0.064 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1sccc1-n1cnnn1 ZINC001266400383 835807817 /nfs/dbraw/zinc/80/78/17/835807817.db2.gz KQHQNTVSGIGPLU-UHFFFAOYSA-N 1 1 348.432 0.425 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc(Cl)n(C)n1 ZINC001266400309 835808017 /nfs/dbraw/zinc/80/80/17/835808017.db2.gz HIRIULQNBXLHDX-UHFFFAOYSA-N 1 1 327.816 0.427 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc(Cl)n(C)n1 ZINC001266400309 835808028 /nfs/dbraw/zinc/80/80/28/835808028.db2.gz HIRIULQNBXLHDX-UHFFFAOYSA-N 1 1 327.816 0.427 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC)CCN2CCNC2=O)cn1 ZINC001266431467 835835219 /nfs/dbraw/zinc/83/52/19/835835219.db2.gz GBIPRAYHKIRZGP-UHFFFAOYSA-N 1 1 329.404 0.140 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cccc(OC)c1 ZINC001266431551 835835510 /nfs/dbraw/zinc/83/55/10/835835510.db2.gz IEZDULZPWIBECV-AWEZNQCLSA-N 1 1 331.416 0.885 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cccc(OC)c1 ZINC001266431551 835835513 /nfs/dbraw/zinc/83/55/13/835835513.db2.gz IEZDULZPWIBECV-AWEZNQCLSA-N 1 1 331.416 0.885 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001266437729 835840842 /nfs/dbraw/zinc/84/08/42/835840842.db2.gz KPEDKMBMYWCLDT-UONOGXRCSA-N 1 1 347.463 0.643 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001266437729 835840850 /nfs/dbraw/zinc/84/08/50/835840850.db2.gz KPEDKMBMYWCLDT-UONOGXRCSA-N 1 1 347.463 0.643 20 30 ECEDMO CS[C@@H](C)C(=O)N1CCC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001266448053 835851722 /nfs/dbraw/zinc/85/17/22/835851722.db2.gz FRYURRMJIQNYHT-QWHCGFSZSA-N 1 1 326.466 0.548 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc(C)n2)C1 ZINC001266448547 835853334 /nfs/dbraw/zinc/85/33/34/835853334.db2.gz PYXBOLWTSUDCME-INIZCTEOSA-N 1 1 342.443 0.923 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC001266453113 835855823 /nfs/dbraw/zinc/85/58/23/835855823.db2.gz YERUOHDJGWFVBT-CVEARBPZSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)OCC)C1 ZINC001266453090 835856497 /nfs/dbraw/zinc/85/64/97/835856497.db2.gz XPZBULPEKHMNEM-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001266455428 835857656 /nfs/dbraw/zinc/85/76/56/835857656.db2.gz DQSVGXSOQYUXQO-HUUCEWRRSA-N 1 1 338.452 0.254 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](OCC)C2CC2)C1 ZINC001266455844 835859486 /nfs/dbraw/zinc/85/94/86/835859486.db2.gz MEZSSTDSWKNWER-CRAIPNDOSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1nccn1CC ZINC001266457258 835861084 /nfs/dbraw/zinc/86/10/84/835861084.db2.gz ICWUNLJGZQZBRH-KBPBESRZSA-N 1 1 333.436 0.788 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1nccn1CC ZINC001266457258 835861087 /nfs/dbraw/zinc/86/10/87/835861087.db2.gz ICWUNLJGZQZBRH-KBPBESRZSA-N 1 1 333.436 0.788 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001266459035 835861989 /nfs/dbraw/zinc/86/19/89/835861989.db2.gz IQELWECEKKZEEE-GJZGRUSLSA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001266464292 835865601 /nfs/dbraw/zinc/86/56/01/835865601.db2.gz XNCBKSTZFIBMTN-MRXNPFEDSA-N 1 1 336.480 0.555 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266465066 835865840 /nfs/dbraw/zinc/86/58/40/835865840.db2.gz NZHFFCKYGGYXAD-OWCLPIDISA-N 1 1 336.480 0.600 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001266465898 835867184 /nfs/dbraw/zinc/86/71/84/835867184.db2.gz FACFAAUYMXXRGO-JKSUJKDBSA-N 1 1 344.463 0.819 20 30 ECEDMO CNC(=O)C1(C(=O)N2CCC[C@H](C[N@@H+](C)CC#CCOC)C2)CC1 ZINC001266469971 835873107 /nfs/dbraw/zinc/87/31/07/835873107.db2.gz XCUMBFICHTWICJ-OAHLLOKOSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266472056 835875973 /nfs/dbraw/zinc/87/59/73/835875973.db2.gz BMBQZROZTNOSLJ-AWEZNQCLSA-N 1 1 334.420 0.074 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)nn1CC ZINC001266482521 835882482 /nfs/dbraw/zinc/88/24/82/835882482.db2.gz CVTWLFDYVBTGKN-CABCVRRESA-N 1 1 345.447 0.544 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)nn1CC ZINC001266482521 835882488 /nfs/dbraw/zinc/88/24/88/835882488.db2.gz CVTWLFDYVBTGKN-CABCVRRESA-N 1 1 345.447 0.544 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(=O)n1C ZINC001266483254 835882749 /nfs/dbraw/zinc/88/27/49/835882749.db2.gz RINDWHAGOPVOOE-UONOGXRCSA-N 1 1 346.431 0.270 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(=O)n1C ZINC001266483254 835882752 /nfs/dbraw/zinc/88/27/52/835882752.db2.gz RINDWHAGOPVOOE-UONOGXRCSA-N 1 1 346.431 0.270 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001266482585 835882799 /nfs/dbraw/zinc/88/27/99/835882799.db2.gz DRUCZVUKLCUWGA-HUUCEWRRSA-N 1 1 344.459 0.920 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001266482585 835882808 /nfs/dbraw/zinc/88/28/08/835882808.db2.gz DRUCZVUKLCUWGA-HUUCEWRRSA-N 1 1 344.459 0.920 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2nncn2C1 ZINC001266495691 835895833 /nfs/dbraw/zinc/89/58/33/835895833.db2.gz RHYQNKCEJGOLSM-GJZGRUSLSA-N 1 1 331.420 0.071 20 30 ECEDMO C[C@H](C[N@H+]1CC[C@H](CNC(=O)CSCC#N)C1)CS(C)(=O)=O ZINC001266500085 835900726 /nfs/dbraw/zinc/90/07/26/835900726.db2.gz LXLQTIWPDWBGAD-CHWSQXEVSA-N 1 1 347.506 0.362 20 30 ECEDMO C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)NC ZINC001266501620 835902459 /nfs/dbraw/zinc/90/24/59/835902459.db2.gz DXXUFHDMFKGKMI-GASCZTMLSA-N 1 1 343.493 0.957 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)COCC3CC3)C2)C1=O ZINC001266503506 835904609 /nfs/dbraw/zinc/90/46/09/835904609.db2.gz WKOJTEDXWVSURF-HZPDHXFCSA-N 1 1 335.448 0.638 20 30 ECEDMO COCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C#CC(C)C)C2)CC1 ZINC001266504533 835905770 /nfs/dbraw/zinc/90/57/70/835905770.db2.gz HGMGVNQCBFXQOF-QGZVFWFLSA-N 1 1 349.475 0.675 20 30 ECEDMO C[C@@H](C[N@H+]1CC[C@H](CNC(=O)C#CC2CC2)C1)CS(C)(=O)=O ZINC001266514533 835925456 /nfs/dbraw/zinc/92/54/56/835925456.db2.gz RXIYZIDURUVQOY-DZGCQCFKSA-N 1 1 326.462 0.519 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001266520527 835934500 /nfs/dbraw/zinc/93/45/00/835934500.db2.gz OPDMBIOUALXQKO-CVEARBPZSA-N 1 1 349.479 0.185 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccnc(C)n2)C1 ZINC001266523091 835937745 /nfs/dbraw/zinc/93/77/45/835937745.db2.gz GHQWMFPRJPIZID-HNNXBMFYSA-N 1 1 345.447 0.458 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001266526757 835941646 /nfs/dbraw/zinc/94/16/46/835941646.db2.gz ZLPWBTQTRBVEED-CYBMUJFWSA-N 1 1 331.482 0.576 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001266539594 835960299 /nfs/dbraw/zinc/96/02/99/835960299.db2.gz FEIRLEKCXRUGEL-GJZGRUSLSA-N 1 1 347.463 0.954 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnoc2C2CC2)C1 ZINC001266540174 835961971 /nfs/dbraw/zinc/96/19/71/835961971.db2.gz QSUOXTIHAAMQNF-OLZOCXBDSA-N 1 1 344.415 0.742 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ncoc2C(C)(C)C)C1 ZINC001266540614 835962767 /nfs/dbraw/zinc/96/27/67/835962767.db2.gz ZWZLPAMFUVJCMQ-ZDUSSCGKSA-N 1 1 346.431 0.773 20 30 ECEDMO CCCc1occc1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266544595 835965446 /nfs/dbraw/zinc/96/54/46/835965446.db2.gz DRNSTNKNRMHZMN-CYBMUJFWSA-N 1 1 332.404 0.924 20 30 ECEDMO CCCc1occc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266544595 835965451 /nfs/dbraw/zinc/96/54/51/835965451.db2.gz DRNSTNKNRMHZMN-CYBMUJFWSA-N 1 1 332.404 0.924 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001266547200 835969234 /nfs/dbraw/zinc/96/92/34/835969234.db2.gz LAFNNZKVXPOJNV-VIFPVBQESA-N 1 1 327.335 0.454 20 30 ECEDMO Cc1ccc(C(=O)N[C@@H](C)C2CC[NH+](CC(=O)NCC#N)CC2)n1C ZINC001279111027 835989782 /nfs/dbraw/zinc/98/97/82/835989782.db2.gz HHXMFACSINVSEJ-AWEZNQCLSA-N 1 1 345.447 0.804 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)c1c(C)ncn1C ZINC001266562538 835990865 /nfs/dbraw/zinc/99/08/65/835990865.db2.gz FXMUVUAYPMOXGN-AWEZNQCLSA-N 1 1 333.436 0.308 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCC)Cc1cnnn1C ZINC001266562447 835991290 /nfs/dbraw/zinc/99/12/90/835991290.db2.gz CERYGCPWGUILJH-INIZCTEOSA-N 1 1 332.452 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCC)Cc1cnnn1C ZINC001266562447 835991295 /nfs/dbraw/zinc/99/12/95/835991295.db2.gz CERYGCPWGUILJH-INIZCTEOSA-N 1 1 332.452 0.241 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1ccc(C#C)cn1 ZINC001266575551 836005970 /nfs/dbraw/zinc/00/59/70/836005970.db2.gz STALGNIRLHXTRA-UHFFFAOYSA-N 1 1 326.400 0.254 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1ccc(C#C)cn1 ZINC001266575551 836005976 /nfs/dbraw/zinc/00/59/76/836005976.db2.gz STALGNIRLHXTRA-UHFFFAOYSA-N 1 1 326.400 0.254 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)/C=C/c1ccc[nH]1)C1CC1 ZINC001266591036 836022206 /nfs/dbraw/zinc/02/22/06/836022206.db2.gz XLAXDLSSYPFBBT-VIIAAUOXSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)/C=C/c1ccc[nH]1)C1CC1 ZINC001266591036 836022215 /nfs/dbraw/zinc/02/22/15/836022215.db2.gz XLAXDLSSYPFBBT-VIIAAUOXSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1n[nH]c2c1CCC2)C1CC1 ZINC001266599976 836033997 /nfs/dbraw/zinc/03/39/97/836033997.db2.gz DXBJGJOSTXNZBJ-LBPRGKRZSA-N 1 1 343.431 0.231 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1n[nH]c2c1CCC2)C1CC1 ZINC001266599976 836034016 /nfs/dbraw/zinc/03/40/16/836034016.db2.gz DXBJGJOSTXNZBJ-LBPRGKRZSA-N 1 1 343.431 0.231 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1ccnc(C2CC2)n1)C1CC1 ZINC001266613716 836047288 /nfs/dbraw/zinc/04/72/88/836047288.db2.gz CTBDORGJUPDAMM-UHFFFAOYSA-N 1 1 341.415 0.298 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1ccnc(C2CC2)n1)C1CC1 ZINC001266613716 836047298 /nfs/dbraw/zinc/04/72/98/836047298.db2.gz CTBDORGJUPDAMM-UHFFFAOYSA-N 1 1 341.415 0.298 20 30 ECEDMO C=CCNC(=O)CN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001266614304 836048470 /nfs/dbraw/zinc/04/84/70/836048470.db2.gz ZXKVVJKYKWYXTL-IAGOWNOFSA-N 1 1 348.491 0.886 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001266629103 836064517 /nfs/dbraw/zinc/06/45/17/836064517.db2.gz ZCISHETVNWKBGY-HAQNSBGRSA-N 1 1 325.372 0.163 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNC(=O)OC)C1 ZINC001266655994 836091419 /nfs/dbraw/zinc/09/14/19/836091419.db2.gz LTIHXPMLMBCHFL-LSDHHAIUSA-N 1 1 339.436 0.858 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2c(C)ccn2C)C1 ZINC001266747308 836234805 /nfs/dbraw/zinc/23/48/05/836234805.db2.gz PLLFORDDHRNERE-JKSUJKDBSA-N 1 1 344.459 0.913 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001266747364 836235231 /nfs/dbraw/zinc/23/52/31/836235231.db2.gz QGUNMWALAFGUHO-CYBMUJFWSA-N 1 1 329.404 0.630 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001266758259 836254868 /nfs/dbraw/zinc/25/48/68/836254868.db2.gz PNHQEUMTNGQNFF-MTSZKFMLSA-N 1 1 331.460 0.999 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001266763933 836266962 /nfs/dbraw/zinc/26/69/62/836266962.db2.gz KCCJNNJUZNJDOZ-CQSZACIVSA-N 1 1 338.452 0.032 20 30 ECEDMO N#CCSCC(=O)NC[C@H]1CCCC[N@H+]1CCN1CCCC1=O ZINC001266833711 836359555 /nfs/dbraw/zinc/35/95/55/836359555.db2.gz WXEUVZWKYZBHJF-CQSZACIVSA-N 1 1 338.477 0.836 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@@H]1CCCC[N@H+]1CCCN1C(=O)CNC1=O ZINC001266837898 836364165 /nfs/dbraw/zinc/36/41/65/836364165.db2.gz YLHHPQOYEQWYPR-OLZOCXBDSA-N 1 1 335.408 0.059 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC ZINC001266844759 836370751 /nfs/dbraw/zinc/37/07/51/836370751.db2.gz PLMBKWXEABBARJ-BBWFWOEESA-N 1 1 337.464 0.062 20 30 ECEDMO CCC[C@@H](NC(N)=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC#CCOC ZINC001266858348 836396412 /nfs/dbraw/zinc/39/64/12/836396412.db2.gz SMDLUUDOKDBYIZ-HUUCEWRRSA-N 1 1 338.452 0.444 20 30 ECEDMO CCC[C@@H](NC(N)=O)C(=O)NC[C@H]1CCCC[N@H+]1CC#CCOC ZINC001266858348 836396418 /nfs/dbraw/zinc/39/64/18/836396418.db2.gz SMDLUUDOKDBYIZ-HUUCEWRRSA-N 1 1 338.452 0.444 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H](C)CO1 ZINC001266903132 836458067 /nfs/dbraw/zinc/45/80/67/836458067.db2.gz SXNYIOGMXNGUFZ-ZNFSNMQZSA-N 1 1 349.475 0.882 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1ncnn1-c1ccccc1 ZINC001266938252 836496506 /nfs/dbraw/zinc/49/65/06/836496506.db2.gz VSNKKKCGNPTDEV-CABCVRRESA-N 1 1 341.415 0.900 20 30 ECEDMO C[C@H](CNC(=O)C#CC1CC1)[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001266937500 836496800 /nfs/dbraw/zinc/49/68/00/836496800.db2.gz KKRPSNQLDMQKFK-LLVKDONJSA-N 1 1 326.360 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)CC[NH2+]Cc2nn(CC)nc2C)cn1 ZINC001266992542 836574610 /nfs/dbraw/zinc/57/46/10/836574610.db2.gz KZTNANQWUQSSHV-UHFFFAOYSA-N 1 1 326.404 0.845 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)N(C)CC2CC2)C1 ZINC001267105613 836784948 /nfs/dbraw/zinc/78/49/48/836784948.db2.gz LHKVJENTUUCZQM-DOTOQJQBSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)N(C)CC2CC2)C1 ZINC001267105613 836784956 /nfs/dbraw/zinc/78/49/56/836784956.db2.gz LHKVJENTUUCZQM-DOTOQJQBSA-N 1 1 349.475 0.816 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)NCC#N ZINC001279575441 836799777 /nfs/dbraw/zinc/79/97/77/836799777.db2.gz GCGOUXSJCMSCCY-JKSUJKDBSA-N 1 1 330.432 0.885 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)NCC#N ZINC001279575441 836799788 /nfs/dbraw/zinc/79/97/88/836799788.db2.gz GCGOUXSJCMSCCY-JKSUJKDBSA-N 1 1 330.432 0.885 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001267114136 836806082 /nfs/dbraw/zinc/80/60/82/836806082.db2.gz BTWLDLYAUYLIGD-AWEZNQCLSA-N 1 1 332.404 0.626 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001267114136 836806094 /nfs/dbraw/zinc/80/60/94/836806094.db2.gz BTWLDLYAUYLIGD-AWEZNQCLSA-N 1 1 332.404 0.626 20 30 ECEDMO C#CCN1CCC(C(=O)N(C)CC[NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC001267117276 836812777 /nfs/dbraw/zinc/81/27/77/836812777.db2.gz PHRRRPDOOBOGPK-MRXNPFEDSA-N 1 1 344.463 0.159 20 30 ECEDMO Cn1ncnc1C[N@@H+]1CCC[C@H]1CCCNC(=O)CSCC#N ZINC001267162641 836879679 /nfs/dbraw/zinc/87/96/79/836879679.db2.gz XWINOQNCOJQGMI-CYBMUJFWSA-N 1 1 336.465 0.933 20 30 ECEDMO Cn1ncnc1C[N@H+]1CCC[C@H]1CCCNC(=O)CSCC#N ZINC001267162641 836879685 /nfs/dbraw/zinc/87/96/85/836879685.db2.gz XWINOQNCOJQGMI-CYBMUJFWSA-N 1 1 336.465 0.933 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001267168392 836893154 /nfs/dbraw/zinc/89/31/54/836893154.db2.gz AYSFOEHVMJKECZ-CYBMUJFWSA-N 1 1 347.419 0.148 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001267172281 836909002 /nfs/dbraw/zinc/90/90/02/836909002.db2.gz ZZDFWGQFAOHUGI-ZDUSSCGKSA-N 1 1 344.423 0.854 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001267176566 836916997 /nfs/dbraw/zinc/91/69/97/836916997.db2.gz JTBRTMLGJHHLNP-CYBMUJFWSA-N 1 1 332.404 0.733 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc(C2CC2)nn1C ZINC001267197569 836965080 /nfs/dbraw/zinc/96/50/80/836965080.db2.gz PCMGDDPARHOUOD-LBPRGKRZSA-N 1 1 333.436 0.650 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C2CC2)nn1C ZINC001267197569 836965087 /nfs/dbraw/zinc/96/50/87/836965087.db2.gz PCMGDDPARHOUOD-LBPRGKRZSA-N 1 1 333.436 0.650 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1nnnn1C1CC1 ZINC001267201005 836974798 /nfs/dbraw/zinc/97/47/98/836974798.db2.gz UPIJXOONGWPRIL-ZFWWWQNUSA-N 1 1 345.451 0.215 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1nnnn1C1CC1 ZINC001267201005 836974805 /nfs/dbraw/zinc/97/48/05/836974805.db2.gz UPIJXOONGWPRIL-ZFWWWQNUSA-N 1 1 345.451 0.215 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[C@H](C)C1 ZINC001267210344 836996273 /nfs/dbraw/zinc/99/62/73/836996273.db2.gz CZXFBVZYOLAHIR-KBPBESRZSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC[C@H](C)C1 ZINC001267210344 836996276 /nfs/dbraw/zinc/99/62/76/836996276.db2.gz CZXFBVZYOLAHIR-KBPBESRZSA-N 1 1 338.452 0.873 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CC(F)(F)C(F)(F)F ZINC001267232965 837037968 /nfs/dbraw/zinc/03/79/68/837037968.db2.gz GHYTWLWZZMXYCM-SECBINFHSA-N 1 1 343.296 0.760 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CC(F)(F)C(F)(F)F ZINC001267232965 837037977 /nfs/dbraw/zinc/03/79/77/837037977.db2.gz GHYTWLWZZMXYCM-SECBINFHSA-N 1 1 343.296 0.760 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1c(C)ccn1C)C(C)C ZINC001267248156 837062528 /nfs/dbraw/zinc/06/25/28/837062528.db2.gz OTBBASRBRDYYED-UHFFFAOYSA-N 1 1 332.448 0.913 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)Cn1ncnn1)Cc1ccccc1C#N ZINC001267256831 837081454 /nfs/dbraw/zinc/08/14/54/837081454.db2.gz DWMTWJBAABQFSY-UHFFFAOYSA-N 1 1 341.419 0.962 20 30 ECEDMO CCn1nnc(C)c1C[N@@H+]1CCC[C@@H]1CNC(=O)CSCC#N ZINC001267259415 837087272 /nfs/dbraw/zinc/08/72/72/837087272.db2.gz APWJZZUZSGLGRQ-CYBMUJFWSA-N 1 1 336.465 0.944 20 30 ECEDMO CCn1nnc(C)c1C[N@H+]1CCC[C@@H]1CNC(=O)CSCC#N ZINC001267259415 837087281 /nfs/dbraw/zinc/08/72/81/837087281.db2.gz APWJZZUZSGLGRQ-CYBMUJFWSA-N 1 1 336.465 0.944 20 30 ECEDMO CC(=O)NCCOCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001267264981 837102081 /nfs/dbraw/zinc/10/20/81/837102081.db2.gz XTZGNLRFRRDORL-HNNXBMFYSA-N 1 1 347.419 0.233 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001267268816 837106843 /nfs/dbraw/zinc/10/68/43/837106843.db2.gz GPMKLGAVCBQABA-AAEUAGOBSA-N 1 1 333.392 0.067 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCCC1CCOCC1 ZINC001267268755 837107101 /nfs/dbraw/zinc/10/71/01/837107101.db2.gz FSOHBIWGAGNOBH-QGZVFWFLSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCC1CCOCC1 ZINC001267268755 837107104 /nfs/dbraw/zinc/10/71/04/837107104.db2.gz FSOHBIWGAGNOBH-QGZVFWFLSA-N 1 1 349.475 0.913 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn2ccncc12 ZINC001267268854 837107220 /nfs/dbraw/zinc/10/72/20/837107220.db2.gz HDEHLYIHMHTEFU-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn2ccncc12 ZINC001267268854 837107225 /nfs/dbraw/zinc/10/72/25/837107225.db2.gz HDEHLYIHMHTEFU-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001267271041 837111934 /nfs/dbraw/zinc/11/19/34/837111934.db2.gz ONDJLAKBFGKIKD-ZDUSSCGKSA-N 1 1 342.399 0.420 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001267271041 837111939 /nfs/dbraw/zinc/11/19/39/837111939.db2.gz ONDJLAKBFGKIKD-ZDUSSCGKSA-N 1 1 342.399 0.420 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001267273333 837115531 /nfs/dbraw/zinc/11/55/31/837115531.db2.gz WUCCKRJNUGXXKR-ZDUSSCGKSA-N 1 1 348.447 0.377 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001267273333 837115536 /nfs/dbraw/zinc/11/55/36/837115536.db2.gz WUCCKRJNUGXXKR-ZDUSSCGKSA-N 1 1 348.447 0.377 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001267277274 837120811 /nfs/dbraw/zinc/12/08/11/837120811.db2.gz VKGKHXZTWFPUCF-HUUCEWRRSA-N 1 1 345.447 0.796 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001267277274 837120815 /nfs/dbraw/zinc/12/08/15/837120815.db2.gz VKGKHXZTWFPUCF-HUUCEWRRSA-N 1 1 345.447 0.796 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267287829 837138755 /nfs/dbraw/zinc/13/87/55/837138755.db2.gz LCVOLUBACMIHMA-QWHCGFSZSA-N 1 1 336.436 0.767 20 30 ECEDMO CCn1nc(C)c(C[N@@H+]2CC[C@H](CNC(=O)CSCC#N)C2)n1 ZINC001267288935 837139573 /nfs/dbraw/zinc/13/95/73/837139573.db2.gz OSGKJVSHJSYVIC-CYBMUJFWSA-N 1 1 336.465 0.801 20 30 ECEDMO CCn1nc(C)c(C[N@H+]2CC[C@H](CNC(=O)CSCC#N)C2)n1 ZINC001267288935 837139581 /nfs/dbraw/zinc/13/95/81/837139581.db2.gz OSGKJVSHJSYVIC-CYBMUJFWSA-N 1 1 336.465 0.801 20 30 ECEDMO Cc1cnc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)cc1C ZINC001267297363 837158189 /nfs/dbraw/zinc/15/81/89/837158189.db2.gz ACLBKMNAGJBDGG-CQSZACIVSA-N 1 1 329.404 0.390 20 30 ECEDMO Cc1cnc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cc1C ZINC001267297363 837158190 /nfs/dbraw/zinc/15/81/90/837158190.db2.gz ACLBKMNAGJBDGG-CQSZACIVSA-N 1 1 329.404 0.390 20 30 ECEDMO C#CCNC(=O)CN1CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267302530 837167848 /nfs/dbraw/zinc/16/78/48/837167848.db2.gz FPPRHHQKEUQIQF-HNNXBMFYSA-N 1 1 336.480 0.152 20 30 ECEDMO C#CCNC(=O)CN1CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267302530 837167852 /nfs/dbraw/zinc/16/78/52/837167852.db2.gz FPPRHHQKEUQIQF-HNNXBMFYSA-N 1 1 336.480 0.152 20 30 ECEDMO C#CCNC(=O)CN1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267302703 837168032 /nfs/dbraw/zinc/16/80/32/837168032.db2.gz GYCDQUXHYITZPU-IAGOWNOFSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)CN1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267302703 837168035 /nfs/dbraw/zinc/16/80/35/837168035.db2.gz GYCDQUXHYITZPU-IAGOWNOFSA-N 1 1 348.491 0.437 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001267315682 837191003 /nfs/dbraw/zinc/19/10/03/837191003.db2.gz ROTWVPDSKFEMFS-MRXNPFEDSA-N 1 1 332.448 0.924 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@H]1CCOC[C@H]1C)CC(=O)NCC#N ZINC001267318635 837195191 /nfs/dbraw/zinc/19/51/91/837195191.db2.gz BDCBQYUFGBLMFU-CABCVRRESA-N 1 1 338.452 0.515 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)c1cc2ncccn2n1 ZINC001267318711 837195268 /nfs/dbraw/zinc/19/52/68/837195268.db2.gz REWAXYZAUQGHJH-UHFFFAOYSA-N 1 1 329.404 0.821 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1ccn(C)c1C)C(C)C ZINC001267318749 837195503 /nfs/dbraw/zinc/19/55/03/837195503.db2.gz CXNRTFRVNBGKRE-UHFFFAOYSA-N 1 1 332.448 0.913 20 30 ECEDMO C#CCNC(=O)[C@H](C)N(CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001267326667 837205221 /nfs/dbraw/zinc/20/52/21/837205221.db2.gz XXWZOXJHSPHDID-DOTOQJQBSA-N 1 1 348.491 0.578 20 30 ECEDMO CC(C)(C)C(=O)C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC001267350182 837237263 /nfs/dbraw/zinc/23/72/63/837237263.db2.gz BGVKICOSWPIJEU-CQSZACIVSA-N 1 1 344.415 0.688 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@H](C[N@@H+](C)CCCS(C)(=O)=O)C1 ZINC001267581045 837842837 /nfs/dbraw/zinc/84/28/37/837842837.db2.gz IMAXASCKFFAXTM-GDBMZVCRSA-N 1 1 346.493 0.529 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC001267581933 837847493 /nfs/dbraw/zinc/84/74/93/837847493.db2.gz GJGPELNGYWZFIB-GJZGRUSLSA-N 1 1 345.447 0.260 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC001267581934 837847558 /nfs/dbraw/zinc/84/75/58/837847558.db2.gz GJGPELNGYWZFIB-HUUCEWRRSA-N 1 1 345.447 0.260 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001267592629 837886683 /nfs/dbraw/zinc/88/66/83/837886683.db2.gz WDOWPIYDYHWNIM-GFCCVEGCSA-N 1 1 333.367 0.254 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1)c1cccnc1 ZINC001267593088 837889051 /nfs/dbraw/zinc/88/90/51/837889051.db2.gz CTNHFMCJGICHLQ-HUUCEWRRSA-N 1 1 343.431 0.605 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@@H]2CC[N@@H+](Cc3nncn3C)C2)cn1 ZINC001267594785 837895988 /nfs/dbraw/zinc/89/59/88/837895988.db2.gz MBAYIONHPAVRKY-CQSZACIVSA-N 1 1 338.415 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@@H]2CC[N@H+](Cc3nncn3C)C2)cn1 ZINC001267594785 837895995 /nfs/dbraw/zinc/89/59/95/837895995.db2.gz MBAYIONHPAVRKY-CQSZACIVSA-N 1 1 338.415 0.833 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2cncnc2)CC1 ZINC001267598931 837910057 /nfs/dbraw/zinc/91/00/57/837910057.db2.gz WBKUYPDNDSFNRK-UHFFFAOYSA-N 1 1 331.420 0.563 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C[N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001267598978 837910082 /nfs/dbraw/zinc/91/00/82/837910082.db2.gz XMSCYNPQJFYXCD-WMLDXEAASA-N 1 1 325.453 0.748 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 ZINC001267601210 837920474 /nfs/dbraw/zinc/92/04/74/837920474.db2.gz ZDJHKSDVSSFPSO-INIZCTEOSA-N 1 1 335.448 0.427 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCC(C[N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001267602920 837928439 /nfs/dbraw/zinc/92/84/39/837928439.db2.gz JEWVNHBCJVPQOI-QGZVFWFLSA-N 1 1 338.452 0.954 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 ZINC001267603807 837932974 /nfs/dbraw/zinc/93/29/74/837932974.db2.gz BUXDUPRDHLTTND-KRWDZBQOSA-N 1 1 349.475 0.818 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)Cc2cncn2C)CC1 ZINC001267604200 837934569 /nfs/dbraw/zinc/93/45/69/837934569.db2.gz KUBQPIHOGGPPHN-UHFFFAOYSA-N 1 1 347.463 0.435 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](CCNC(=O)c2c(OC)ncnc2OC)C1 ZINC001267605345 837941532 /nfs/dbraw/zinc/94/15/32/837941532.db2.gz RVEVMZYTKQTNEF-ZDUSSCGKSA-N 1 1 332.404 0.959 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)Cc2c(C)cc(C)[nH]c2=O)CC1 ZINC001267609375 837969883 /nfs/dbraw/zinc/96/98/83/837969883.db2.gz YDPLYRJBTAWGRP-UHFFFAOYSA-N 1 1 344.459 0.656 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)c2ccoc2CC(N)=O)CC1 ZINC001267609418 837970321 /nfs/dbraw/zinc/97/03/21/837970321.db2.gz ZWWCEWUDGHXVKY-UHFFFAOYSA-N 1 1 346.431 0.020 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2ccc(C)nc2OC)CC1 ZINC001267612441 837979025 /nfs/dbraw/zinc/97/90/25/837979025.db2.gz KFXHJQBJBSPCFU-UHFFFAOYSA-N 1 1 330.432 0.721 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2ccn(CC)n2)C1 ZINC001267626404 838076034 /nfs/dbraw/zinc/07/60/34/838076034.db2.gz UNKVACKFTJQMCP-HOCLYGCPSA-N 1 1 347.463 0.717 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2ccn(CC)n2)C1 ZINC001267626404 838076046 /nfs/dbraw/zinc/07/60/46/838076046.db2.gz UNKVACKFTJQMCP-HOCLYGCPSA-N 1 1 347.463 0.717 20 30 ECEDMO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267629145 838083950 /nfs/dbraw/zinc/08/39/50/838083950.db2.gz PESUSSYFGOLMJV-HNNXBMFYSA-N 1 1 333.432 0.910 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001267632577 838096630 /nfs/dbraw/zinc/09/66/30/838096630.db2.gz ZKZVFZAPBOPVNZ-INIZCTEOSA-N 1 1 330.432 0.992 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001267632577 838096638 /nfs/dbraw/zinc/09/66/38/838096638.db2.gz ZKZVFZAPBOPVNZ-INIZCTEOSA-N 1 1 330.432 0.992 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC001267638638 838116398 /nfs/dbraw/zinc/11/63/98/838116398.db2.gz PEPPOXXIJDPCCS-ZDUSSCGKSA-N 1 1 334.395 0.917 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cc(C)on2)C1 ZINC001267638898 838117110 /nfs/dbraw/zinc/11/71/10/838117110.db2.gz UQQWKDFWHOFAQF-GJZGRUSLSA-N 1 1 348.447 0.997 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC001267646055 838131147 /nfs/dbraw/zinc/13/11/47/838131147.db2.gz KYDCRCLJNJMEES-AWEZNQCLSA-N 1 1 333.436 0.425 20 30 ECEDMO CCO[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1)C(C)C ZINC001267645884 838131382 /nfs/dbraw/zinc/13/13/82/838131382.db2.gz HNOXODQIETZCOS-ZBFHGGJFSA-N 1 1 338.452 0.468 20 30 ECEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001267653372 838157216 /nfs/dbraw/zinc/15/72/16/838157216.db2.gz QIGYYSMOCRHFLE-UONOGXRCSA-N 1 1 348.451 0.512 20 30 ECEDMO CCN(CCNC(=O)c1ccc(C#N)[nH]1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001408732777 838166680 /nfs/dbraw/zinc/16/66/80/838166680.db2.gz NRWHFIYDWLVWCE-CYBMUJFWSA-N 1 1 331.420 0.806 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001267658454 838173105 /nfs/dbraw/zinc/17/31/05/838173105.db2.gz ONWFFKFSOBTLHS-HNNXBMFYSA-N 1 1 328.416 0.527 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267667000 838194753 /nfs/dbraw/zinc/19/47/53/838194753.db2.gz YHXFENJNVRCRMP-AWEZNQCLSA-N 1 1 334.420 0.695 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267678101 838231317 /nfs/dbraw/zinc/23/13/17/838231317.db2.gz MJRGYVBPPJDXTA-UHFFFAOYSA-N 1 1 343.431 0.973 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)C3(F)CCOCC3)C2)C1=O ZINC001267681286 838241869 /nfs/dbraw/zinc/24/18/69/838241869.db2.gz BRSYOCSTIHDKRT-CQSZACIVSA-N 1 1 339.411 0.340 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2ccnn2CC2CCC2)C1 ZINC001267681039 838242208 /nfs/dbraw/zinc/24/22/08/838242208.db2.gz GSZPSXOAGNRIQF-UHFFFAOYSA-N 1 1 330.432 0.995 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001267686973 838250526 /nfs/dbraw/zinc/25/05/26/838250526.db2.gz XKNHVPFZWYIPBO-LBPRGKRZSA-N 1 1 347.419 0.151 20 30 ECEDMO CNC(=O)C1(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)CC1 ZINC001267694576 838281419 /nfs/dbraw/zinc/28/14/19/838281419.db2.gz PJPZAFATSCSVTD-UHFFFAOYSA-N 1 1 325.412 0.612 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@H](C)n2cccn2)CC1 ZINC001267718966 838371417 /nfs/dbraw/zinc/37/14/17/838371417.db2.gz UUSVKBBSTFEYHA-HNNXBMFYSA-N 1 1 347.463 0.917 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC001267732605 838420445 /nfs/dbraw/zinc/42/04/45/838420445.db2.gz WHUMYPSWNXWILU-HIFRSBDPSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC001267732605 838420450 /nfs/dbraw/zinc/42/04/50/838420450.db2.gz WHUMYPSWNXWILU-HIFRSBDPSA-N 1 1 329.400 0.637 20 30 ECEDMO CCN(CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(=O)[C@@H](C)C#N ZINC001408789240 838431602 /nfs/dbraw/zinc/43/16/02/838431602.db2.gz YZZBVBZHKFBZFZ-GXTWGEPZSA-N 1 1 331.420 0.878 20 30 ECEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC=C)C1 ZINC001267748422 838458187 /nfs/dbraw/zinc/45/81/87/838458187.db2.gz ZQDLIBPVXDBUAS-ZIAGYGMSSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NCC=C)C1 ZINC001267748422 838458191 /nfs/dbraw/zinc/45/81/91/838458191.db2.gz ZQDLIBPVXDBUAS-ZIAGYGMSSA-N 1 1 336.436 0.934 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCC=C)C2)c1 ZINC001267748742 838458927 /nfs/dbraw/zinc/45/89/27/838458927.db2.gz GIEXXCSXLIUOLQ-CZUORRHYSA-N 1 1 326.400 0.558 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NCC=C)C2)c1 ZINC001267748742 838458932 /nfs/dbraw/zinc/45/89/32/838458932.db2.gz GIEXXCSXLIUOLQ-CZUORRHYSA-N 1 1 326.400 0.558 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CCN(C)S(C)(=O)=O)C2)C1 ZINC001267748891 838462849 /nfs/dbraw/zinc/46/28/49/838462849.db2.gz JEEDNOPOLHTSHW-CYBMUJFWSA-N 1 1 329.466 0.425 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCN(C)S(C)(=O)=O)C2)C1 ZINC001267748891 838462856 /nfs/dbraw/zinc/46/28/56/838462856.db2.gz JEEDNOPOLHTSHW-CYBMUJFWSA-N 1 1 329.466 0.425 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001267751593 838472741 /nfs/dbraw/zinc/47/27/41/838472741.db2.gz FSRCWQRXZWCPNC-OAHLLOKOSA-N 1 1 347.463 0.876 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001267751593 838472750 /nfs/dbraw/zinc/47/27/50/838472750.db2.gz FSRCWQRXZWCPNC-OAHLLOKOSA-N 1 1 347.463 0.876 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCc2ccccn2)C1 ZINC001267751794 838473176 /nfs/dbraw/zinc/47/31/76/838473176.db2.gz KYPBNCUCIAXQBY-MRXNPFEDSA-N 1 1 330.432 0.897 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCc2ccccn2)C1 ZINC001267751794 838473181 /nfs/dbraw/zinc/47/31/81/838473181.db2.gz KYPBNCUCIAXQBY-MRXNPFEDSA-N 1 1 330.432 0.897 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001267761166 838487833 /nfs/dbraw/zinc/48/78/33/838487833.db2.gz CDYAYZPROOQCHI-GJZGRUSLSA-N 1 1 331.420 0.338 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)cn2)C1 ZINC001267763430 838492588 /nfs/dbraw/zinc/49/25/88/838492588.db2.gz LNBCUOUUEGIPLM-OCCSQVGLSA-N 1 1 332.379 0.505 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(F)cn2)C1 ZINC001267763430 838492590 /nfs/dbraw/zinc/49/25/90/838492590.db2.gz LNBCUOUUEGIPLM-OCCSQVGLSA-N 1 1 332.379 0.505 20 30 ECEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267763809 838493447 /nfs/dbraw/zinc/49/34/47/838493447.db2.gz PUBNXRAHWZWDKY-TZMCWYRMSA-N 1 1 336.436 0.871 20 30 ECEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267763809 838493449 /nfs/dbraw/zinc/49/34/49/838493449.db2.gz PUBNXRAHWZWDKY-TZMCWYRMSA-N 1 1 336.436 0.871 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001267767878 838505895 /nfs/dbraw/zinc/50/58/95/838505895.db2.gz LRPLQFYOHQDDQA-HNNXBMFYSA-N 1 1 346.431 0.798 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001267767878 838505902 /nfs/dbraw/zinc/50/59/02/838505902.db2.gz LRPLQFYOHQDDQA-HNNXBMFYSA-N 1 1 346.431 0.798 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](OC)c2cnn(C)c2)C1 ZINC001267769304 838515210 /nfs/dbraw/zinc/51/52/10/838515210.db2.gz WQGWTSLJEZSMRK-CVEARBPZSA-N 1 1 334.420 0.290 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](OC)c2cnn(C)c2)C1 ZINC001267769304 838515212 /nfs/dbraw/zinc/51/52/12/838515212.db2.gz WQGWTSLJEZSMRK-CVEARBPZSA-N 1 1 334.420 0.290 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001267769950 838517276 /nfs/dbraw/zinc/51/72/76/838517276.db2.gz XDSWILSJAXBMBA-GOEBONIOSA-N 1 1 345.447 0.280 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001267769950 838517281 /nfs/dbraw/zinc/51/72/81/838517281.db2.gz XDSWILSJAXBMBA-GOEBONIOSA-N 1 1 345.447 0.280 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cnccn2)C1 ZINC001267775650 838538468 /nfs/dbraw/zinc/53/84/68/838538468.db2.gz VCDHMBWSVHHMCZ-GDBMZVCRSA-N 1 1 343.431 0.080 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCc2cnccn2)C1 ZINC001267775650 838538480 /nfs/dbraw/zinc/53/84/80/838538480.db2.gz VCDHMBWSVHHMCZ-GDBMZVCRSA-N 1 1 343.431 0.080 20 30 ECEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001267787273 838563460 /nfs/dbraw/zinc/56/34/60/838563460.db2.gz ZFPSTFWZFDPFMP-CQSZACIVSA-N 1 1 331.482 0.767 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)N(CC)C2CC2)C1 ZINC001267787208 838563887 /nfs/dbraw/zinc/56/38/87/838563887.db2.gz XREPRFULQASPEC-DOTOQJQBSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)N(CC)C2CC2)C1 ZINC001267787208 838563893 /nfs/dbraw/zinc/56/38/93/838563893.db2.gz XREPRFULQASPEC-DOTOQJQBSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(CC)on2)C1 ZINC001267790761 838570540 /nfs/dbraw/zinc/57/05/40/838570540.db2.gz SRZVMIIHPWJCDM-KBPBESRZSA-N 1 1 346.431 0.911 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cc(CC)on2)C1 ZINC001267790761 838570551 /nfs/dbraw/zinc/57/05/51/838570551.db2.gz SRZVMIIHPWJCDM-KBPBESRZSA-N 1 1 346.431 0.911 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001267949215 838841483 /nfs/dbraw/zinc/84/14/83/838841483.db2.gz DTGICRFRULZGOB-CQSZACIVSA-N 1 1 345.399 0.697 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001267949215 838841497 /nfs/dbraw/zinc/84/14/97/838841497.db2.gz DTGICRFRULZGOB-CQSZACIVSA-N 1 1 345.399 0.697 20 30 ECEDMO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC001408868474 838855769 /nfs/dbraw/zinc/85/57/69/838855769.db2.gz NAMZFPFYUFOGFS-CYBMUJFWSA-N 1 1 331.420 0.806 20 30 ECEDMO C=CCOCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)NC(N)=O)CC2 ZINC001267973253 838904684 /nfs/dbraw/zinc/90/46/84/838904684.db2.gz JMDBKXSSQMQYNS-AWEZNQCLSA-N 1 1 338.452 0.560 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)c1ccns1)CC2 ZINC001267973581 838904727 /nfs/dbraw/zinc/90/47/27/838904727.db2.gz UQQBYABNCUZPCG-UHFFFAOYSA-N 1 1 346.456 0.821 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC2(CC[N@H+](Cc3cnn(C)n3)C2)CC1 ZINC001267973428 838904937 /nfs/dbraw/zinc/90/49/37/838904937.db2.gz PJPXBGCIGKJUIE-OAHLLOKOSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC2(CC[N@@H+](Cc3cnn(C)n3)C2)CC1 ZINC001267973428 838904941 /nfs/dbraw/zinc/90/49/41/838904941.db2.gz PJPXBGCIGKJUIE-OAHLLOKOSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001268023976 839011269 /nfs/dbraw/zinc/01/12/69/839011269.db2.gz UQMPXJNAOUEOTC-INIZCTEOSA-N 1 1 326.400 0.946 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@H](CNC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001268023976 839011279 /nfs/dbraw/zinc/01/12/79/839011279.db2.gz UQMPXJNAOUEOTC-INIZCTEOSA-N 1 1 326.400 0.946 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)NC(=O)NCCC)C1 ZINC001268029517 839046732 /nfs/dbraw/zinc/04/67/32/839046732.db2.gz VWBPNGICTYYKOA-CQSZACIVSA-N 1 1 340.468 0.867 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)NC(=O)NCCC)C1 ZINC001268029517 839046743 /nfs/dbraw/zinc/04/67/43/839046743.db2.gz VWBPNGICTYYKOA-CQSZACIVSA-N 1 1 340.468 0.867 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)c2[nH]nc(C)c2C)CCCC1 ZINC001268031650 839064410 /nfs/dbraw/zinc/06/44/10/839064410.db2.gz JPTSIPFFKPONER-AWEZNQCLSA-N 1 1 345.447 0.797 20 30 ECEDMO C=CCn1cc(C(=O)NCC2([NH2+]Cc3cnon3)CCCC2)nn1 ZINC001268040687 839145397 /nfs/dbraw/zinc/14/53/97/839145397.db2.gz UJJHAKAIFHJCCE-UHFFFAOYSA-N 1 1 331.380 0.680 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(C(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001408904796 839237357 /nfs/dbraw/zinc/23/73/57/839237357.db2.gz MFYSGTUDFSHBPU-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1nc(CC)no1 ZINC001268066847 839253135 /nfs/dbraw/zinc/25/31/35/839253135.db2.gz CJSYCXBEWNITOY-KBPBESRZSA-N 1 1 333.436 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1nc(CC)no1 ZINC001268066847 839253149 /nfs/dbraw/zinc/25/31/49/839253149.db2.gz CJSYCXBEWNITOY-KBPBESRZSA-N 1 1 333.436 0.666 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000981001817 839308381 /nfs/dbraw/zinc/30/83/81/839308381.db2.gz TXAMFCRLRRXQBT-MRXNPFEDSA-N 1 1 341.415 0.821 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000981001817 839308394 /nfs/dbraw/zinc/30/83/94/839308394.db2.gz TXAMFCRLRRXQBT-MRXNPFEDSA-N 1 1 341.415 0.821 20 30 ECEDMO Cc1cc(N2CCC(NC(=O)Cn3cnc(C#N)n3)CC2)nc(C)[nH+]1 ZINC000426878395 210168919 /nfs/dbraw/zinc/16/89/19/210168919.db2.gz GYIYCODGGKYGGS-UHFFFAOYSA-N 1 1 340.391 0.342 20 30 ECEDMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)Cn2cnnn2)cc[nH+]1 ZINC000328654380 282324041 /nfs/dbraw/zinc/32/40/41/282324041.db2.gz XIPRDTFXEOFEQW-QWRGUYRKSA-N 1 1 349.374 0.103 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)c1 ZINC001041661773 781944185 /nfs/dbraw/zinc/94/41/85/781944185.db2.gz YJVOJUVURJRMJL-SCLBCKFNSA-N 1 1 326.400 0.475 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000246076311 243188457 /nfs/dbraw/zinc/18/84/57/243188457.db2.gz DMNMPNZNXVQYPP-IAGOWNOFSA-N 1 1 331.416 0.704 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc3ncnn32)[C@@H](n2ccnn2)C1 ZINC001069970473 790259982 /nfs/dbraw/zinc/25/99/82/790259982.db2.gz HTUAVLNGZTZSOG-OCCSQVGLSA-N 1 1 338.375 0.162 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cccc3ncnn32)[C@@H](n2ccnn2)C1 ZINC001069970473 790259984 /nfs/dbraw/zinc/25/99/84/790259984.db2.gz HTUAVLNGZTZSOG-OCCSQVGLSA-N 1 1 338.375 0.162 20 30 ECEDMO COC(=O)[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411921816 208170045 /nfs/dbraw/zinc/17/00/45/208170045.db2.gz SMBZCHMBGDYUJB-CQSZACIVSA-N 1 1 330.388 0.533 20 30 ECEDMO COCC(C)(C)[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000429245394 210308236 /nfs/dbraw/zinc/30/82/36/210308236.db2.gz JZJKMQNXFAFVRC-UHFFFAOYSA-N 1 1 349.435 0.860 20 30 ECEDMO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428778456 210282488 /nfs/dbraw/zinc/28/24/88/210282488.db2.gz JEDZTOBOQFPZJG-AWEZNQCLSA-N 1 1 346.387 0.428 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](CCC)CC2)c1 ZINC000053637248 254484755 /nfs/dbraw/zinc/48/47/55/254484755.db2.gz IQXATMVABZEZPG-UHFFFAOYSA-N 1 1 349.456 0.766 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000292224936 254578081 /nfs/dbraw/zinc/57/80/81/254578081.db2.gz AJJHVNYFKPVRDX-KBPBESRZSA-N 1 1 341.477 0.249 20 30 ECEDMO C#CCN(C)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000283614780 254557680 /nfs/dbraw/zinc/55/76/80/254557680.db2.gz NHBSQGPWRLPHRV-UHFFFAOYSA-N 1 1 328.416 0.859 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411966091 254767239 /nfs/dbraw/zinc/76/72/39/254767239.db2.gz LBXILGZFSIDNHR-RDTXWAMCSA-N 1 1 328.416 0.876 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000491127770 254898510 /nfs/dbraw/zinc/89/85/10/254898510.db2.gz XRSYYVJTDDMXDS-UHFFFAOYSA-N 1 1 337.427 0.739 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000230342570 165088247 /nfs/dbraw/zinc/08/82/47/165088247.db2.gz XCNDJRKXDRXWEZ-MNOVXSKESA-N 1 1 327.431 0.761 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000230342570 165088250 /nfs/dbraw/zinc/08/82/50/165088250.db2.gz XCNDJRKXDRXWEZ-MNOVXSKESA-N 1 1 327.431 0.761 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3cnnn3C)C2)C1 ZINC001041696866 782014160 /nfs/dbraw/zinc/01/41/60/782014160.db2.gz XRYUHWQQMJQHLV-RYRKJORJSA-N 1 1 345.447 0.831 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3cnnn3C)C2)C1 ZINC001041696866 782014170 /nfs/dbraw/zinc/01/41/70/782014170.db2.gz XRYUHWQQMJQHLV-RYRKJORJSA-N 1 1 345.447 0.831 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC001041703774 782020714 /nfs/dbraw/zinc/02/07/14/782020714.db2.gz IOQQTMSKQGVGLZ-QAPCUYQASA-N 1 1 342.447 0.573 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC001041704214 782022624 /nfs/dbraw/zinc/02/26/24/782022624.db2.gz RCAUYRAXUIHHDU-PBHICJAKSA-N 1 1 328.420 0.183 20 30 ECEDMO N#Cc1ccc2ncc(CNCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)n2c1 ZINC000123645876 222310627 /nfs/dbraw/zinc/31/06/27/222310627.db2.gz IOHUHDYJQDYORB-OAHLLOKOSA-N 1 1 340.431 0.883 20 30 ECEDMO N#Cc1ccccc1N1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000270500395 263246620 /nfs/dbraw/zinc/24/66/20/263246620.db2.gz QHDSSNSFCOAIPB-UHFFFAOYSA-N 1 1 331.376 0.875 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3COC(=O)N3)CC2)cc1 ZINC000282853924 264065544 /nfs/dbraw/zinc/06/55/44/264065544.db2.gz CBHNABJJMKAPSK-HNNXBMFYSA-N 1 1 328.372 0.701 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3COC(=O)N3)CC2)cc1 ZINC000282853924 264065546 /nfs/dbraw/zinc/06/55/46/264065546.db2.gz CBHNABJJMKAPSK-HNNXBMFYSA-N 1 1 328.372 0.701 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2cccc(C#N)c2)n1C ZINC000275954633 270005473 /nfs/dbraw/zinc/00/54/73/270005473.db2.gz QLGMZHYSMNNTGK-UHFFFAOYSA-N 1 1 326.360 0.613 20 30 ECEDMO CCN1C(=O)[C@@H]2C[N@H+](CCOc3ccccc3C#N)CCN2C1=O ZINC000375867056 266142796 /nfs/dbraw/zinc/14/27/96/266142796.db2.gz CDLJSQYNHAQSIN-AWEZNQCLSA-N 1 1 328.372 0.905 20 30 ECEDMO CCN1C(=O)[C@@H]2C[N@@H+](CCOc3ccccc3C#N)CCN2C1=O ZINC000375867056 266142800 /nfs/dbraw/zinc/14/28/00/266142800.db2.gz CDLJSQYNHAQSIN-AWEZNQCLSA-N 1 1 328.372 0.905 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000362899928 267046330 /nfs/dbraw/zinc/04/63/30/267046330.db2.gz FPDGPZUMTRPQKD-MGPQQGTHSA-N 1 1 328.420 0.583 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000284061566 267046867 /nfs/dbraw/zinc/04/68/67/267046867.db2.gz QSTQVXXIENTNOD-MLGOLLRUSA-N 1 1 326.400 0.773 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)n1cnc(C#N)n1 ZINC000336895737 267126633 /nfs/dbraw/zinc/12/66/33/267126633.db2.gz NAOIMJHXMNAIRY-BARDWOONSA-N 1 1 346.435 0.811 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)n1cnc(C#N)n1 ZINC000336895737 267126635 /nfs/dbraw/zinc/12/66/35/267126635.db2.gz NAOIMJHXMNAIRY-BARDWOONSA-N 1 1 346.435 0.811 20 30 ECEDMO C[C@H](C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)n1cnc(C#N)n1 ZINC000337059383 267135719 /nfs/dbraw/zinc/13/57/19/267135719.db2.gz RDYJBVNLPIALDL-LLVKDONJSA-N 1 1 341.375 0.850 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CC(C(N)=O)=NO3)CC2)cc1 ZINC000372773011 268064638 /nfs/dbraw/zinc/06/46/38/268064638.db2.gz PFLQQFDPRRFKII-INIZCTEOSA-N 1 1 341.415 0.742 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+]([C@H](C)CN3CCOCC3)CC2)c1C#N ZINC000530361206 268091516 /nfs/dbraw/zinc/09/15/16/268091516.db2.gz BTPKUBCJJOQNDH-CQSZACIVSA-N 1 1 332.452 0.443 20 30 ECEDMO Cc1nn(C)c(N2CCN([C@H](C)C[NH+]3CCOCC3)CC2)c1C#N ZINC000530361206 268091517 /nfs/dbraw/zinc/09/15/17/268091517.db2.gz BTPKUBCJJOQNDH-CQSZACIVSA-N 1 1 332.452 0.443 20 30 ECEDMO Cn1cc(N2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)cn1 ZINC000528392385 268129714 /nfs/dbraw/zinc/12/97/14/268129714.db2.gz CDULZZADRTXAKH-KRWDZBQOSA-N 1 1 341.415 0.854 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000363683396 268134095 /nfs/dbraw/zinc/13/40/95/268134095.db2.gz RHCLVFXEPCMPOG-LSDHHAIUSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 ZINC000370705452 268138360 /nfs/dbraw/zinc/13/83/60/268138360.db2.gz GXZCSWDWSAYWCB-GJZGRUSLSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1F ZINC000293530686 268191410 /nfs/dbraw/zinc/19/14/10/268191410.db2.gz UCPKRYYUSJZNPP-UHFFFAOYSA-N 1 1 327.381 0.386 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1F ZINC000293530686 268191411 /nfs/dbraw/zinc/19/14/11/268191411.db2.gz UCPKRYYUSJZNPP-UHFFFAOYSA-N 1 1 327.381 0.386 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000376394454 268192300 /nfs/dbraw/zinc/19/23/00/268192300.db2.gz JICMQCBDZPSRQY-QWHCGFSZSA-N 1 1 339.417 0.761 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000344448253 268200515 /nfs/dbraw/zinc/20/05/15/268200515.db2.gz UJBBNCXCNBSMRC-NSHDSACASA-N 1 1 340.405 0.017 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000528546450 268302469 /nfs/dbraw/zinc/30/24/69/268302469.db2.gz CVECVIFMFNNDER-GOEBONIOSA-N 1 1 327.388 0.912 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@@H](n2ccnn2)C1 ZINC001069970722 790260373 /nfs/dbraw/zinc/26/03/73/790260373.db2.gz WYYCEDCRLZEDMZ-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@@H](n2ccnn2)C1 ZINC001069970722 790260376 /nfs/dbraw/zinc/26/03/76/790260376.db2.gz WYYCEDCRLZEDMZ-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000331697123 275691544 /nfs/dbraw/zinc/69/15/44/275691544.db2.gz UYIOPWOLGDSOHA-MLGOLLRUSA-N 1 1 349.435 0.446 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121513989 280100995 /nfs/dbraw/zinc/10/09/95/280100995.db2.gz PTXHNWMHKNGNOK-OAHLLOKOSA-N 1 1 344.481 0.397 20 30 ECEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](N(C)CC(=O)OC(C)(C)C)[C@@H](O)C1 ZINC000340219792 437606266 /nfs/dbraw/zinc/60/62/66/437606266.db2.gz KSMMLNYVUFAYIN-ZNMIVQPWSA-N 1 1 328.453 0.632 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000337160448 289238575 /nfs/dbraw/zinc/23/85/75/289238575.db2.gz SXUDYDRHLSHURN-KGLIPLIRSA-N 1 1 332.470 0.413 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ncnn2C(C)(C)C)C[C@@H]1C ZINC000330434135 290086375 /nfs/dbraw/zinc/08/63/75/290086375.db2.gz XXMADJAHCHOMLU-STQMWFEESA-N 1 1 338.456 0.834 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329520293 290176365 /nfs/dbraw/zinc/17/63/65/290176365.db2.gz QHQRADYODULWLF-LXTVHRRPSA-N 1 1 334.424 0.548 20 30 ECEDMO CNC(=O)NC(=O)CC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029229260 436198996 /nfs/dbraw/zinc/19/89/96/436198996.db2.gz DBTJEXQIQWGTLI-UHFFFAOYSA-N 1 1 346.391 0.391 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000077022938 436222636 /nfs/dbraw/zinc/22/26/36/436222636.db2.gz JSPMMFJKTUPUPC-UHFFFAOYSA-N 1 1 346.435 0.376 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(C#N)cc3)CC2)C1 ZINC000081256932 436340687 /nfs/dbraw/zinc/34/06/87/436340687.db2.gz WBLBBPYELYUJPA-KRWDZBQOSA-N 1 1 328.416 0.928 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(C#N)cc3)CC2)C1 ZINC000081256932 436340690 /nfs/dbraw/zinc/34/06/90/436340690.db2.gz WBLBBPYELYUJPA-KRWDZBQOSA-N 1 1 328.416 0.928 20 30 ECEDMO CCNC(=O)NC(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000046085674 436386552 /nfs/dbraw/zinc/38/65/52/436386552.db2.gz ZDXPRXXVWLYBTR-UHFFFAOYSA-N 1 1 329.404 0.916 20 30 ECEDMO CCNC(=O)NC(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000046085674 436386558 /nfs/dbraw/zinc/38/65/58/436386558.db2.gz ZDXPRXXVWLYBTR-UHFFFAOYSA-N 1 1 329.404 0.916 20 30 ECEDMO CNC(=O)Cc1nc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cs1 ZINC000089943718 436421937 /nfs/dbraw/zinc/42/19/37/436421937.db2.gz UMLMJSZAQYUNBP-UHFFFAOYSA-N 1 1 347.448 0.673 20 30 ECEDMO CNC(=O)Cc1nc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cs1 ZINC000089943718 436421942 /nfs/dbraw/zinc/42/19/42/436421942.db2.gz UMLMJSZAQYUNBP-UHFFFAOYSA-N 1 1 347.448 0.673 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2scnc2C)CC1 ZINC000051099571 436482016 /nfs/dbraw/zinc/48/20/16/436482016.db2.gz LDJUKRSFJFBWAQ-GFCCVEGCSA-N 1 1 334.445 0.784 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000101909738 436550626 /nfs/dbraw/zinc/55/06/26/436550626.db2.gz MSSDGLKPMCWGAW-KBPBESRZSA-N 1 1 338.452 0.871 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000057667544 436615143 /nfs/dbraw/zinc/61/51/43/436615143.db2.gz DBDXQTWVXJGQGR-UHFFFAOYSA-N 1 1 332.404 0.890 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000111567635 436631899 /nfs/dbraw/zinc/63/18/99/436631899.db2.gz VIUZPUGJTGLMGE-UHFFFAOYSA-N 1 1 341.459 0.844 20 30 ECEDMO C=CCCOCCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000271671634 436694319 /nfs/dbraw/zinc/69/43/19/436694319.db2.gz IELZXNZNHLDZIO-AWEZNQCLSA-N 1 1 327.425 0.858 20 30 ECEDMO C=CCCOCCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000271671634 436694323 /nfs/dbraw/zinc/69/43/23/436694323.db2.gz IELZXNZNHLDZIO-AWEZNQCLSA-N 1 1 327.425 0.858 20 30 ECEDMO C=CC[N@@H+](C)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000121196322 436709364 /nfs/dbraw/zinc/70/93/64/436709364.db2.gz TVGZLKVUJLELCK-UHFFFAOYSA-N 1 1 331.416 0.893 20 30 ECEDMO C=CC[N@H+](C)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000121196322 436709368 /nfs/dbraw/zinc/70/93/68/436709368.db2.gz TVGZLKVUJLELCK-UHFFFAOYSA-N 1 1 331.416 0.893 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000269359367 436663797 /nfs/dbraw/zinc/66/37/97/436663797.db2.gz VBFSCFCRQJFSKP-GFCCVEGCSA-N 1 1 334.351 0.473 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCn2c3ccccc3n(C)c2=O)CC1 ZINC000139264082 436664523 /nfs/dbraw/zinc/66/45/23/436664523.db2.gz ZSNSNCPBOLPKOU-UHFFFAOYSA-N 1 1 340.427 0.898 20 30 ECEDMO C=CCNc1ncc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000269533245 436667473 /nfs/dbraw/zinc/66/74/73/436667473.db2.gz NRWAMWVLHLUKDV-NSHDSACASA-N 1 1 337.449 0.811 20 30 ECEDMO C#CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1CCCCC1 ZINC000065960074 436675055 /nfs/dbraw/zinc/67/50/55/436675055.db2.gz ARUYTDDDDQIFCI-UHFFFAOYSA-N 1 1 343.493 0.652 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000068271990 436739776 /nfs/dbraw/zinc/73/97/76/436739776.db2.gz CECOPOYROUNMDS-MRXNPFEDSA-N 1 1 327.432 0.861 20 30 ECEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)N1CCOCC1 ZINC000068370486 436743129 /nfs/dbraw/zinc/74/31/29/436743129.db2.gz ZYDKWOGNQFLWTP-UHFFFAOYSA-N 1 1 330.388 0.677 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000153277985 436751953 /nfs/dbraw/zinc/75/19/53/436751953.db2.gz WXIKSZPWGZMAEE-MRXNPFEDSA-N 1 1 329.408 0.536 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000245462482 436762325 /nfs/dbraw/zinc/76/23/25/436762325.db2.gz NXRSAOAIQSZBCW-ROUUACIJSA-N 1 1 342.443 0.944 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000245462482 436762330 /nfs/dbraw/zinc/76/23/30/436762330.db2.gz NXRSAOAIQSZBCW-ROUUACIJSA-N 1 1 342.443 0.944 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121463934 436718441 /nfs/dbraw/zinc/71/84/41/436718441.db2.gz VIDLOZCNSRCSGL-ZDUSSCGKSA-N 1 1 344.481 0.350 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2sccc2C#N)CC1 ZINC000128076733 436811045 /nfs/dbraw/zinc/81/10/45/436811045.db2.gz BDTYAZWWALNVCI-ZDUSSCGKSA-N 1 1 332.429 0.998 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@H](C)O)C3)CC2)o1 ZINC000248610788 436804857 /nfs/dbraw/zinc/80/48/57/436804857.db2.gz WEOSITMDZUNGBG-GXTWGEPZSA-N 1 1 347.419 0.206 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000131447144 436852249 /nfs/dbraw/zinc/85/22/49/436852249.db2.gz LNKKJJAFDIMLDI-HNNXBMFYSA-N 1 1 336.436 0.462 20 30 ECEDMO N#Cc1c(C#N)c(N2CC[NH2+][C@H](C(N)=O)C2)nc2c1CCCCCC2 ZINC000279965869 436853127 /nfs/dbraw/zinc/85/31/27/436853127.db2.gz CQFMDVDRBWGXCF-INIZCTEOSA-N 1 1 338.415 0.747 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C[S@](C)=O ZINC000293252648 436861122 /nfs/dbraw/zinc/86/11/22/436861122.db2.gz DMJDIECVPZDCOL-DEOSSOPVSA-N 1 1 349.456 0.575 20 30 ECEDMO C#CC[N@@H+](C)CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000292852634 436832494 /nfs/dbraw/zinc/83/24/94/436832494.db2.gz ROOVETGJKOPMHM-UHFFFAOYSA-N 1 1 326.378 0.609 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 ZINC000293552217 436888223 /nfs/dbraw/zinc/88/82/23/436888223.db2.gz ZEFQLDMJXDXMGG-UHFFFAOYSA-N 1 1 340.383 0.150 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCN1C(=O)NC(C)(C)C1=O ZINC000162697035 436909446 /nfs/dbraw/zinc/90/94/46/436909446.db2.gz GULUFVONZQCLJA-UHFFFAOYSA-N 1 1 333.396 0.058 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162696830 436910699 /nfs/dbraw/zinc/91/06/99/436910699.db2.gz BWKRUSVXVXQLHE-JKSUJKDBSA-N 1 1 349.479 0.233 20 30 ECEDMO C[NH+](C)CCN(C(=O)C#Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000136466133 436933084 /nfs/dbraw/zinc/93/30/84/436933084.db2.gz DVDDHKFTROSQLD-INIZCTEOSA-N 1 1 334.441 0.615 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166393069 436938647 /nfs/dbraw/zinc/93/86/47/436938647.db2.gz UNBQWBVGCSNHSD-UHFFFAOYSA-N 1 1 334.376 0.486 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000275265507 436948102 /nfs/dbraw/zinc/94/81/02/436948102.db2.gz SCILHNLXBUHCPD-ZIAGYGMSSA-N 1 1 347.415 0.859 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000275265507 436948106 /nfs/dbraw/zinc/94/81/06/436948106.db2.gz SCILHNLXBUHCPD-ZIAGYGMSSA-N 1 1 347.415 0.859 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000294452800 436954960 /nfs/dbraw/zinc/95/49/60/436954960.db2.gz NKKZITLVWVQRPV-OAHLLOKOSA-N 1 1 331.420 0.143 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000294561000 436960886 /nfs/dbraw/zinc/96/08/86/436960886.db2.gz NISZFGUBYJKVFC-MRXNPFEDSA-N 1 1 343.427 0.485 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)C#Cc2ccc3c(c2)OCO3)CC1(C)C ZINC000281701969 436991583 /nfs/dbraw/zinc/99/15/83/436991583.db2.gz GZQBKFZHLLSUMX-UHFFFAOYSA-N 1 1 343.427 0.909 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCNC(=O)c1cccc(C)c1 ZINC000296884560 436997804 /nfs/dbraw/zinc/99/78/04/436997804.db2.gz LWWHGQOHASCJIY-UHFFFAOYSA-N 1 1 330.432 0.979 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000296931309 436997943 /nfs/dbraw/zinc/99/79/43/436997943.db2.gz OXOOEEWJPADTJV-CQSZACIVSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000296732794 436998584 /nfs/dbraw/zinc/99/85/84/436998584.db2.gz CYQOITMUQOJJEB-UHFFFAOYSA-N 1 1 344.463 0.880 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000297630947 437008852 /nfs/dbraw/zinc/00/88/52/437008852.db2.gz WPQPNVYOIIJWRH-QGZVFWFLSA-N 1 1 348.491 0.816 20 30 ECEDMO N#Cc1ccc2c(c1)N(C(=O)C(=O)NCC[N@@H+]1CCCOCC1)CC2 ZINC000275773829 437012328 /nfs/dbraw/zinc/01/23/28/437012328.db2.gz RTHUNVNDQIGAIE-UHFFFAOYSA-N 1 1 342.399 0.286 20 30 ECEDMO N#Cc1ccc2c(c1)N(C(=O)C(=O)NCC[N@H+]1CCCOCC1)CC2 ZINC000275773829 437012332 /nfs/dbraw/zinc/01/23/32/437012332.db2.gz RTHUNVNDQIGAIE-UHFFFAOYSA-N 1 1 342.399 0.286 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)CC1 ZINC000299363290 437072978 /nfs/dbraw/zinc/07/29/78/437072978.db2.gz ZBXPIJVTPNIZPS-INIZCTEOSA-N 1 1 327.384 0.944 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000285530371 437079673 /nfs/dbraw/zinc/07/96/73/437079673.db2.gz AZWKQQFZCSYHGN-UHFFFAOYSA-N 1 1 325.438 0.138 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)NCC(=O)OC)c1 ZINC000264747939 437077071 /nfs/dbraw/zinc/07/70/71/437077071.db2.gz VPUJBSWLEKLUKN-UHFFFAOYSA-N 1 1 331.372 0.218 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)NCC(=O)OC)c1 ZINC000264747939 437077075 /nfs/dbraw/zinc/07/70/75/437077075.db2.gz VPUJBSWLEKLUKN-UHFFFAOYSA-N 1 1 331.372 0.218 20 30 ECEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276281406 437082758 /nfs/dbraw/zinc/08/27/58/437082758.db2.gz FMFGNXPZGLDRPL-PSLIRLAXSA-N 1 1 336.779 0.461 20 30 ECEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276281406 437082762 /nfs/dbraw/zinc/08/27/62/437082762.db2.gz FMFGNXPZGLDRPL-PSLIRLAXSA-N 1 1 336.779 0.461 20 30 ECEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CCCCC1 ZINC000358202898 303145390 /nfs/dbraw/zinc/14/53/90/303145390.db2.gz CGWJJBMLPGLENP-CYBMUJFWSA-N 1 1 342.465 0.330 20 30 ECEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CCCCC1 ZINC000358202898 303145393 /nfs/dbraw/zinc/14/53/93/303145393.db2.gz CGWJJBMLPGLENP-CYBMUJFWSA-N 1 1 342.465 0.330 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000286422496 437091097 /nfs/dbraw/zinc/09/10/97/437091097.db2.gz GLHXEXXFNHZFMN-UHFFFAOYSA-N 1 1 342.509 0.164 20 30 ECEDMO C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000286795365 437131507 /nfs/dbraw/zinc/13/15/07/437131507.db2.gz AANCTXFNPZZXOT-KRWDZBQOSA-N 1 1 344.459 0.563 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000332384600 437217065 /nfs/dbraw/zinc/21/70/65/437217065.db2.gz GSGXWAVEYXXQIQ-STQMWFEESA-N 1 1 325.438 0.936 20 30 ECEDMO Cc1[nH]c(C#N)cc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000332088711 437208283 /nfs/dbraw/zinc/20/82/83/437208283.db2.gz KLAPFWIHRPOVDM-OAHLLOKOSA-N 1 1 329.404 0.573 20 30 ECEDMO CCN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000328666461 437248967 /nfs/dbraw/zinc/24/89/67/437248967.db2.gz ZXYJBVZUKQHFEO-JSGCOSHPSA-N 1 1 329.466 0.894 20 30 ECEDMO CC[N@H+]1CCC[C@H](CNC(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000328691514 437252826 /nfs/dbraw/zinc/25/28/26/437252826.db2.gz DXAZFILURYKECK-OAHLLOKOSA-N 1 1 339.484 0.386 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000328689914 437253052 /nfs/dbraw/zinc/25/30/52/437253052.db2.gz DDVHMQYEBSPICS-HUUCEWRRSA-N 1 1 339.484 0.337 20 30 ECEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000328708793 437254173 /nfs/dbraw/zinc/25/41/73/437254173.db2.gz FSCWWSIDMQGXHV-KGLIPLIRSA-N 1 1 346.497 0.456 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180953325 437306236 /nfs/dbraw/zinc/30/62/36/437306236.db2.gz SVYSGVBJTBAZOG-AWEZNQCLSA-N 1 1 339.484 0.345 20 30 ECEDMO CCC[C@@H]1CN(S(=O)(=O)N(CC)CCC#N)CC[N@@H+]1CCOC ZINC000336931339 437314074 /nfs/dbraw/zinc/31/40/74/437314074.db2.gz BPRHDDYIOSSRCC-OAHLLOKOSA-N 1 1 346.497 0.899 20 30 ECEDMO CCC[C@@H]1CN(S(=O)(=O)N(CC)CCC#N)CC[N@H+]1CCOC ZINC000336931339 437314076 /nfs/dbraw/zinc/31/40/76/437314076.db2.gz BPRHDDYIOSSRCC-OAHLLOKOSA-N 1 1 346.497 0.899 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@]3(CC[N@H+](CC(N)=O)C3)C2)cc1 ZINC001041727904 782067922 /nfs/dbraw/zinc/06/79/22/782067922.db2.gz RLNCWFRHPHKIMS-IBGZPJMESA-N 1 1 341.411 0.722 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@@H]2CCc3nc(C)nn3C2)[N@@H+](C)C1 ZINC000329130655 437322201 /nfs/dbraw/zinc/32/22/01/437322201.db2.gz OMQBNTJGESNJOR-RDBSUJKOSA-N 1 1 336.440 0.466 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCc3nc(C)nn3C2)[N@H+](C)C1 ZINC000329130655 437322206 /nfs/dbraw/zinc/32/22/06/437322206.db2.gz OMQBNTJGESNJOR-RDBSUJKOSA-N 1 1 336.440 0.466 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCc3nc(C)nn3C2)[N@@H+](C)C1 ZINC000329130655 437322210 /nfs/dbraw/zinc/32/22/10/437322210.db2.gz OMQBNTJGESNJOR-RDBSUJKOSA-N 1 1 336.440 0.466 20 30 ECEDMO CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000328967954 437294800 /nfs/dbraw/zinc/29/48/00/437294800.db2.gz AEKHVNYMFVWBRH-ZRJCITRHSA-N 1 1 334.424 0.963 20 30 ECEDMO CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000328967954 437294804 /nfs/dbraw/zinc/29/48/04/437294804.db2.gz AEKHVNYMFVWBRH-ZRJCITRHSA-N 1 1 334.424 0.963 20 30 ECEDMO CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000328967954 437294808 /nfs/dbraw/zinc/29/48/08/437294808.db2.gz AEKHVNYMFVWBRH-ZRJCITRHSA-N 1 1 334.424 0.963 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)[N@@H+](C)C1 ZINC000328969732 437294831 /nfs/dbraw/zinc/29/48/31/437294831.db2.gz AWFYEUAKWJROCR-RDBSUJKOSA-N 1 1 326.441 0.561 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)s1 ZINC000267169035 437299266 /nfs/dbraw/zinc/29/92/66/437299266.db2.gz HRRMXMNAIIIKFZ-UONOGXRCSA-N 1 1 341.458 0.207 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)[C@@H]2C1 ZINC000329470681 437373807 /nfs/dbraw/zinc/37/38/07/437373807.db2.gz YZOAKNSPRKWWBI-MGPQQGTHSA-N 1 1 344.481 0.350 20 30 ECEDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000337094609 437331036 /nfs/dbraw/zinc/33/10/36/437331036.db2.gz PCRUBVRHMSIVGP-KGLIPLIRSA-N 1 1 330.454 0.310 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000337096062 437331905 /nfs/dbraw/zinc/33/19/05/437331905.db2.gz QWCMMAPCWYCBPI-CABCVRRESA-N 1 1 342.465 0.310 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)n1 ZINC000278666052 437332439 /nfs/dbraw/zinc/33/24/39/437332439.db2.gz AHBRGXJLGGHDDX-HNNXBMFYSA-N 1 1 333.436 0.769 20 30 ECEDMO CCN(C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000329208136 437334921 /nfs/dbraw/zinc/33/49/21/437334921.db2.gz BNTYYJABTMHFHU-FPMFFAJLSA-N 1 1 329.466 0.892 20 30 ECEDMO CCN(C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000329208136 437334925 /nfs/dbraw/zinc/33/49/25/437334925.db2.gz BNTYYJABTMHFHU-FPMFFAJLSA-N 1 1 329.466 0.892 20 30 ECEDMO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)CC[N@H+]1C[C@@H](C)O ZINC000329753280 437409711 /nfs/dbraw/zinc/40/97/11/437409711.db2.gz JYOBIJQMKXWFSS-BPLDGKMQSA-N 1 1 335.452 0.958 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC[N@@H+]1C[C@@H](C)O ZINC000329753280 437409716 /nfs/dbraw/zinc/40/97/16/437409716.db2.gz JYOBIJQMKXWFSS-BPLDGKMQSA-N 1 1 335.452 0.958 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC[N@H+]1C[C@@H](C)O ZINC000329753280 437409719 /nfs/dbraw/zinc/40/97/19/437409719.db2.gz JYOBIJQMKXWFSS-BPLDGKMQSA-N 1 1 335.452 0.958 20 30 ECEDMO Cn1nc2c(cc1=O)CN(C(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000329797234 437414125 /nfs/dbraw/zinc/41/41/25/437414125.db2.gz HEKGTCVJCSDVCP-LBPRGKRZSA-N 1 1 331.420 0.537 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)N(S(C)(=O)=O)C1 ZINC000329826857 437417971 /nfs/dbraw/zinc/41/79/71/437417971.db2.gz CMEHFCRSZBGHNU-KGYLQXTDSA-N 1 1 333.454 0.475 20 30 ECEDMO COCC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000329841606 437420826 /nfs/dbraw/zinc/42/08/26/437420826.db2.gz WUEBCSXJEUCWKP-UHFFFAOYSA-N 1 1 347.481 0.520 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NCC[N@@H+]2CC=C(C)CC2)N(S(C)(=O)=O)C1 ZINC000329900364 437427237 /nfs/dbraw/zinc/42/72/37/437427237.db2.gz NSLGOWMCBCZONW-UONOGXRCSA-N 1 1 345.465 0.644 20 30 ECEDMO CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCN(C)C1=O ZINC000329517052 437378468 /nfs/dbraw/zinc/37/84/68/437378468.db2.gz PDYADAXFYOAFDL-ZDUSSCGKSA-N 1 1 325.457 0.089 20 30 ECEDMO CCC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000329545526 437380934 /nfs/dbraw/zinc/38/09/34/437380934.db2.gz GRMAZCJCIPQSIL-RBSFLKMASA-N 1 1 338.452 0.706 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CN2CCN(C)C(=O)C2)C[C@@H](C)O1 ZINC000329590216 437387101 /nfs/dbraw/zinc/38/71/01/437387101.db2.gz SYWQNNZFYGUEKG-ZIAGYGMSSA-N 1 1 340.468 0.605 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000329613102 437391744 /nfs/dbraw/zinc/39/17/44/437391744.db2.gz OSXNKAJKSZHWQR-NMKXLXIOSA-N 1 1 329.466 0.891 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000329613102 437391748 /nfs/dbraw/zinc/39/17/48/437391748.db2.gz OSXNKAJKSZHWQR-NMKXLXIOSA-N 1 1 329.466 0.891 20 30 ECEDMO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC(Nc2cccnn2)CC1 ZINC000330278262 437478253 /nfs/dbraw/zinc/47/82/53/437478253.db2.gz PKBGSNRIWCHCFK-AWEZNQCLSA-N 1 1 341.419 1.478 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000186743157 437482174 /nfs/dbraw/zinc/48/21/74/437482174.db2.gz LACMLVPUKACHDD-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO N#CCC1(O)CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000186800768 437485407 /nfs/dbraw/zinc/48/54/07/437485407.db2.gz PURROVPRQCKLLT-INIZCTEOSA-N 1 1 329.400 0.764 20 30 ECEDMO N#CCC1(O)CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000186800768 437485413 /nfs/dbraw/zinc/48/54/13/437485413.db2.gz PURROVPRQCKLLT-INIZCTEOSA-N 1 1 329.400 0.764 20 30 ECEDMO CN1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000329933126 437433219 /nfs/dbraw/zinc/43/32/19/437433219.db2.gz PXDSZBSQXMVPNG-INIZCTEOSA-N 1 1 346.431 0.753 20 30 ECEDMO CC(=O)N1CC[C@H](NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000329976082 437439605 /nfs/dbraw/zinc/43/96/05/437439605.db2.gz FBABRBCLAKCDDE-GJZGRUSLSA-N 1 1 326.441 0.468 20 30 ECEDMO CN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330187114 437465791 /nfs/dbraw/zinc/46/57/91/437465791.db2.gz SSXUQWHCRVSAPJ-JSGCOSHPSA-N 1 1 344.481 0.350 20 30 ECEDMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC(S(N)(=O)=O)CC2)C1 ZINC000330381308 437494977 /nfs/dbraw/zinc/49/49/77/437494977.db2.gz IBILRHIUNFTZDX-LBPRGKRZSA-N 1 1 332.470 0.385 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000330377366 437495181 /nfs/dbraw/zinc/49/51/81/437495181.db2.gz FFIDYKATJMVCOK-CHWSQXEVSA-N 1 1 325.438 0.761 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330384549 437498220 /nfs/dbraw/zinc/49/82/20/437498220.db2.gz KQRAHQJHRBUXDK-ZIAGYGMSSA-N 1 1 332.470 0.508 20 30 ECEDMO COCC[NH+]1CCC(NC(=O)N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC000330426095 437508856 /nfs/dbraw/zinc/50/88/56/437508856.db2.gz SLMZGHGMRKDYNM-ZDUSSCGKSA-N 1 1 333.454 0.130 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000330426426 437508998 /nfs/dbraw/zinc/50/89/98/437508998.db2.gz DZHWMOHDFNTHCS-LBPRGKRZSA-N 1 1 340.453 0.457 20 30 ECEDMO CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN(CC(=O)NC)CC2)C1 ZINC000330427850 437509613 /nfs/dbraw/zinc/50/96/13/437509613.db2.gz UCVQLJZHGPYHEV-CQSZACIVSA-N 1 1 339.484 0.432 20 30 ECEDMO C[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)C[NH+]1CCN(C)CC1 ZINC000354079655 437522996 /nfs/dbraw/zinc/52/29/96/437522996.db2.gz JYFCEOZBWQMUMO-HNNXBMFYSA-N 1 1 342.509 0.873 20 30 ECEDMO NC(=O)NC[C@@H]1CCCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000330483003 437526898 /nfs/dbraw/zinc/52/68/98/437526898.db2.gz YNFGVKDFLYXCLZ-ZDUSSCGKSA-N 1 1 327.429 0.417 20 30 ECEDMO CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000330563124 437553700 /nfs/dbraw/zinc/55/37/00/437553700.db2.gz JUTQWYNWKKOSLL-JJRVBVJISA-N 1 1 341.452 0.925 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)n1 ZINC000354524866 437630847 /nfs/dbraw/zinc/63/08/47/437630847.db2.gz VQJZLLXWXQEZDA-GFCCVEGCSA-N 1 1 334.424 1.119 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)n1 ZINC000354524867 437631085 /nfs/dbraw/zinc/63/10/85/437631085.db2.gz VQJZLLXWXQEZDA-LBPRGKRZSA-N 1 1 334.424 1.119 20 30 ECEDMO C=CCN(CCOC)C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000191975156 437657029 /nfs/dbraw/zinc/65/70/29/437657029.db2.gz HDRGDWIYWNXEAY-HZPDHXFCSA-N 1 1 337.464 0.980 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc(C(N)=O)nc2)C[C@H](C)O1 ZINC000331218778 437719470 /nfs/dbraw/zinc/71/94/70/437719470.db2.gz SHGMKSYXTAVWOM-TXEJJXNPSA-N 1 1 335.408 0.767 20 30 ECEDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc(C(N)=O)nc2)C[C@H](C)O1 ZINC000331218778 437719472 /nfs/dbraw/zinc/71/94/72/437719472.db2.gz SHGMKSYXTAVWOM-TXEJJXNPSA-N 1 1 335.408 0.767 20 30 ECEDMO C=CC[N@@H+](CCOC)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000361998136 437710521 /nfs/dbraw/zinc/71/05/21/437710521.db2.gz BPNPOXAOPWPOOO-UHFFFAOYSA-N 1 1 335.404 0.698 20 30 ECEDMO C=CC[N@H+](CCOC)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000361998136 437710525 /nfs/dbraw/zinc/71/05/25/437710525.db2.gz BPNPOXAOPWPOOO-UHFFFAOYSA-N 1 1 335.404 0.698 20 30 ECEDMO C=CCCC[N@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000344779227 437764956 /nfs/dbraw/zinc/76/49/56/437764956.db2.gz URWVEDMBXIBAOX-UHFFFAOYSA-N 1 1 338.496 0.943 20 30 ECEDMO COC(=O)[C@H]1CCCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000331262531 437728822 /nfs/dbraw/zinc/72/88/22/437728822.db2.gz DOTCXLAMXMAHRL-AWEZNQCLSA-N 1 1 340.468 0.811 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@@H]1C(N)=O ZINC000344500623 437758472 /nfs/dbraw/zinc/75/84/72/437758472.db2.gz AZDGWYIFHKWJFW-OWCLPIDISA-N 1 1 334.416 0.729 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@H]1C(N)=O ZINC000344500623 437758473 /nfs/dbraw/zinc/75/84/73/437758473.db2.gz AZDGWYIFHKWJFW-OWCLPIDISA-N 1 1 334.416 0.729 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000356305060 437758531 /nfs/dbraw/zinc/75/85/31/437758531.db2.gz QAXGHGWJLSUXJX-TZMCWYRMSA-N 1 1 328.438 0.608 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000341164287 437806288 /nfs/dbraw/zinc/80/62/88/437806288.db2.gz MNWVRMQMRWBMHP-OAHLLOKOSA-N 1 1 332.404 0.957 20 30 ECEDMO N#Cc1ccnc(N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000363888282 437809118 /nfs/dbraw/zinc/80/91/18/437809118.db2.gz JHVFVCDCANAQRK-CQSZACIVSA-N 1 1 346.391 0.680 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000346529403 437814058 /nfs/dbraw/zinc/81/40/58/437814058.db2.gz KGOBCMISAYOQIO-MNOVXSKESA-N 1 1 346.353 0.938 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000416368657 437921550 /nfs/dbraw/zinc/92/15/50/437921550.db2.gz HJMHEJKYZUZBPF-CQSZACIVSA-N 1 1 336.461 0.765 20 30 ECEDMO C=CC[C@@H](CO)CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000341799744 437899672 /nfs/dbraw/zinc/89/96/72/437899672.db2.gz HJRPGYQTIGYZES-HUUCEWRRSA-N 1 1 340.468 0.413 20 30 ECEDMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000365733487 437959352 /nfs/dbraw/zinc/95/93/52/437959352.db2.gz GVUZJDOWPSZJKL-DOTOQJQBSA-N 1 1 348.447 0.878 20 30 ECEDMO COC(=O)[C@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@H+](C)C1 ZINC000416585224 437966982 /nfs/dbraw/zinc/96/69/82/437966982.db2.gz NMMWICXDHNACSW-GFCCVEGCSA-N 1 1 329.422 0.047 20 30 ECEDMO COC(=O)[C@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@@H+](C)C1 ZINC000416585224 437966986 /nfs/dbraw/zinc/96/69/86/437966986.db2.gz NMMWICXDHNACSW-GFCCVEGCSA-N 1 1 329.422 0.047 20 30 ECEDMO C=CCOCC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000342486396 438020750 /nfs/dbraw/zinc/02/07/50/438020750.db2.gz YGLUQDROKVIYMB-UHFFFAOYSA-N 1 1 337.464 0.982 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C)n(CCC#N)n1 ZINC000348206893 438027536 /nfs/dbraw/zinc/02/75/36/438027536.db2.gz MUXVOWKSETYHTP-CQSZACIVSA-N 1 1 334.424 1.338 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000425887359 438047443 /nfs/dbraw/zinc/04/74/43/438047443.db2.gz ASIRAIFWJGBOIX-JONQDZQNSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000365950789 437993837 /nfs/dbraw/zinc/99/38/37/437993837.db2.gz PPLBZWQJBTYAKU-BRWVUGGUSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@@H](CC(C)C)[NH+]2CCOCC2)C1=O ZINC000348503286 438067453 /nfs/dbraw/zinc/06/74/53/438067453.db2.gz WTHVKNSQBIGAOC-HUUCEWRRSA-N 1 1 339.436 0.856 20 30 ECEDMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 ZINC000348825128 438106446 /nfs/dbraw/zinc/10/64/46/438106446.db2.gz FONYYGMAIAZVJD-AWEZNQCLSA-N 1 1 346.435 0.892 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000358052863 438134325 /nfs/dbraw/zinc/13/43/25/438134325.db2.gz VEPJTVDWFDGSFQ-OAHLLOKOSA-N 1 1 336.779 0.333 20 30 ECEDMO N#Cc1ccc(CN2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)cc1 ZINC000418527295 438158049 /nfs/dbraw/zinc/15/80/49/438158049.db2.gz SQISYLCHEUIBRO-UHFFFAOYSA-N 1 1 337.374 0.979 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367135990 438171246 /nfs/dbraw/zinc/17/12/46/438171246.db2.gz SGHVBEIXDYWKAZ-GOOCMWNKSA-N 1 1 344.481 0.556 20 30 ECEDMO COCCOc1ccc(C#N)cc1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358481028 438235489 /nfs/dbraw/zinc/23/54/89/438235489.db2.gz OQFLPBKPEOPDQK-QGZVFWFLSA-N 1 1 348.403 0.772 20 30 ECEDMO N#CCNC(=O)CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000358318776 438198431 /nfs/dbraw/zinc/19/84/31/438198431.db2.gz XADZAVVSSZTQCG-UHFFFAOYSA-N 1 1 329.404 0.196 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375507870 438258882 /nfs/dbraw/zinc/25/88/82/438258882.db2.gz ZGGIQGTWOVHJOS-GMTAPVOTSA-N 1 1 334.342 0.590 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375507870 438258885 /nfs/dbraw/zinc/25/88/85/438258885.db2.gz ZGGIQGTWOVHJOS-GMTAPVOTSA-N 1 1 334.342 0.590 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000376240848 438275520 /nfs/dbraw/zinc/27/55/20/438275520.db2.gz HWHRQDOXDVEUIG-CQSZACIVSA-N 1 1 327.450 0.144 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000376240848 438275523 /nfs/dbraw/zinc/27/55/23/438275523.db2.gz HWHRQDOXDVEUIG-CQSZACIVSA-N 1 1 327.450 0.144 20 30 ECEDMO C#CCNC(=O)c1ccc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)nc1 ZINC000376207135 438276109 /nfs/dbraw/zinc/27/61/09/438276109.db2.gz NFAPFLAJEDVYDV-GOEBONIOSA-N 1 1 328.416 0.744 20 30 ECEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000377021086 438299509 /nfs/dbraw/zinc/29/95/09/438299509.db2.gz SCESRGQZHRUAGT-UHFFFAOYSA-N 1 1 331.376 0.583 20 30 ECEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000378301984 438373314 /nfs/dbraw/zinc/37/33/14/438373314.db2.gz RZLJLMQXOSHZPS-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C=CCNC(=O)CN1CCN(c2cc[nH+]cc2C(=O)OCC)CC1 ZINC000359446642 438438350 /nfs/dbraw/zinc/43/83/50/438438350.db2.gz ZQGDYBRHDYRXHE-UHFFFAOYSA-N 1 1 332.404 0.683 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(Cc2noc(CC)n2)C1 ZINC000369245882 438443738 /nfs/dbraw/zinc/44/37/38/438443738.db2.gz ULEIUVVAFGFFPZ-KGLIPLIRSA-N 1 1 333.436 0.666 20 30 ECEDMO Cc1cc(NC(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)nn1CCC#N ZINC000378520523 438396164 /nfs/dbraw/zinc/39/61/64/438396164.db2.gz NYJNHWHWWCROSJ-GJZGRUSLSA-N 1 1 346.435 1.480 20 30 ECEDMO Cc1cc(NC(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)nn1CCC#N ZINC000378520523 438396167 /nfs/dbraw/zinc/39/61/67/438396167.db2.gz NYJNHWHWWCROSJ-GJZGRUSLSA-N 1 1 346.435 1.480 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000403979901 438463574 /nfs/dbraw/zinc/46/35/74/438463574.db2.gz APGIERYMGGJEJP-OLZOCXBDSA-N 1 1 341.820 0.963 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)c1 ZINC000407951635 438469867 /nfs/dbraw/zinc/46/98/67/438469867.db2.gz CNSVWXYOQFICMX-CQSZACIVSA-N 1 1 337.449 0.848 20 30 ECEDMO C=CCOCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000370328951 438572128 /nfs/dbraw/zinc/57/21/28/438572128.db2.gz XSCGKOIPLJLWQI-UHFFFAOYSA-N 1 1 329.360 0.833 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443522067 438654919 /nfs/dbraw/zinc/65/49/19/438654919.db2.gz LIWZEZQJXGMQGK-UHFFFAOYSA-N 1 1 341.337 1.548 20 30 ECEDMO CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC[N@@H+]1CCOC ZINC000410926368 438667959 /nfs/dbraw/zinc/66/79/59/438667959.db2.gz PLTUFTAEPGUMBR-HUUCEWRRSA-N 1 1 338.452 0.564 20 30 ECEDMO CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC[N@H+]1CCOC ZINC000410926368 438667961 /nfs/dbraw/zinc/66/79/61/438667961.db2.gz PLTUFTAEPGUMBR-HUUCEWRRSA-N 1 1 338.452 0.564 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC12COC2 ZINC000451124772 438696533 /nfs/dbraw/zinc/69/65/33/438696533.db2.gz JJTDHDOQZLURQB-XJKSGUPXSA-N 1 1 335.404 0.306 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC12COC2 ZINC000451124772 438696535 /nfs/dbraw/zinc/69/65/35/438696535.db2.gz JJTDHDOQZLURQB-XJKSGUPXSA-N 1 1 335.404 0.306 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@H](C)[N@H+]1CCO ZINC000453944469 438702632 /nfs/dbraw/zinc/70/26/32/438702632.db2.gz VLDPFFFYQAMWNP-OKILXGFUSA-N 1 1 344.415 0.605 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@H](C)[N@@H+]1CCO ZINC000453944469 438702635 /nfs/dbraw/zinc/70/26/35/438702635.db2.gz VLDPFFFYQAMWNP-OKILXGFUSA-N 1 1 344.415 0.605 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C[C@H](C)[N@H+]1CCO ZINC000453949667 438703759 /nfs/dbraw/zinc/70/37/59/438703759.db2.gz ZYWCEXAWKDORBM-TXEJJXNPSA-N 1 1 348.378 0.549 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C[C@H](C)[N@@H+]1CCO ZINC000453949667 438703761 /nfs/dbraw/zinc/70/37/61/438703761.db2.gz ZYWCEXAWKDORBM-TXEJJXNPSA-N 1 1 348.378 0.549 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000451664912 438705660 /nfs/dbraw/zinc/70/56/60/438705660.db2.gz CTOPKCRXLCKZET-UONOGXRCSA-N 1 1 332.470 0.149 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000454449328 438716853 /nfs/dbraw/zinc/71/68/53/438716853.db2.gz XMBWTZDOOIVFAS-KFWWJZLASA-N 1 1 338.452 0.607 20 30 ECEDMO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000549655349 438735306 /nfs/dbraw/zinc/73/53/06/438735306.db2.gz SVRWZTJLVCNMIW-CQSZACIVSA-N 1 1 348.451 0.513 20 30 ECEDMO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000549655349 438735309 /nfs/dbraw/zinc/73/53/09/438735309.db2.gz SVRWZTJLVCNMIW-CQSZACIVSA-N 1 1 348.451 0.513 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)n(CCC#N)n1 ZINC000551690264 438738064 /nfs/dbraw/zinc/73/80/64/438738064.db2.gz FSSZCGIRVUNGSH-KRWDZBQOSA-N 1 1 344.419 0.598 20 30 ECEDMO COC(=O)c1ccc(N2CCN(c3ccc(N)[nH+]c3)CC2)c(C#N)n1 ZINC000575161428 438740551 /nfs/dbraw/zinc/74/05/51/438740551.db2.gz VXXRRHVGMWWIEE-UHFFFAOYSA-N 1 1 338.371 1.044 20 30 ECEDMO CN(CCC#N)C[C@@H](O)CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000575862669 438757279 /nfs/dbraw/zinc/75/72/79/438757279.db2.gz IXPYZLZOXLHRKQ-MSOLQXFVSA-N 1 1 332.448 0.871 20 30 ECEDMO C#CCCN1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000497044272 438760515 /nfs/dbraw/zinc/76/05/15/438760515.db2.gz MTSRUWZXJVNHGK-QGZVFWFLSA-N 1 1 325.453 0.903 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)OC)CC1 ZINC000497246740 438784672 /nfs/dbraw/zinc/78/46/72/438784672.db2.gz QWOJXJRGRVAGHL-CQSZACIVSA-N 1 1 339.436 0.694 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](Nc2nnc(C)c(C)c2C#N)CC1=O ZINC000601178116 438828332 /nfs/dbraw/zinc/82/83/32/438828332.db2.gz LTEZFSIRVITKPV-CQSZACIVSA-N 1 1 346.435 0.556 20 30 ECEDMO N#Cc1sccc1N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000595633092 438836392 /nfs/dbraw/zinc/83/63/92/438836392.db2.gz LXVMMGWWLSPHAY-CQSZACIVSA-N 1 1 336.461 0.435 20 30 ECEDMO CO[C@]1(CO)CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000595660710 438840488 /nfs/dbraw/zinc/84/04/88/438840488.db2.gz UYGUTTKVNMMLCG-FUHWJXTLSA-N 1 1 334.416 0.966 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000601440715 438896884 /nfs/dbraw/zinc/89/68/84/438896884.db2.gz VZPWWRNDOTXKMU-AWEZNQCLSA-N 1 1 344.481 0.509 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595831619 438867876 /nfs/dbraw/zinc/86/78/76/438867876.db2.gz KTXLOKWZEVYESL-OAHLLOKOSA-N 1 1 331.420 0.587 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000565657904 438968918 /nfs/dbraw/zinc/96/89/18/438968918.db2.gz FFNXPTUDXVLUSQ-ZDUSSCGKSA-N 1 1 331.401 0.939 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000565657904 438968923 /nfs/dbraw/zinc/96/89/23/438968923.db2.gz FFNXPTUDXVLUSQ-ZDUSSCGKSA-N 1 1 331.401 0.939 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000591059856 438980744 /nfs/dbraw/zinc/98/07/44/438980744.db2.gz PVUXWKBZHYRNDK-XHDPSFHLSA-N 1 1 325.434 0.633 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000591059856 438980748 /nfs/dbraw/zinc/98/07/48/438980748.db2.gz PVUXWKBZHYRNDK-XHDPSFHLSA-N 1 1 325.434 0.633 20 30 ECEDMO N#Cc1ccc(CC(=O)NC2CCC([NH+]3CCNCC3)CC2)cn1 ZINC000602512727 439102806 /nfs/dbraw/zinc/10/28/06/439102806.db2.gz SWOHPQDRONLURF-UHFFFAOYSA-N 1 1 327.432 0.828 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](O)C3(C)C)CC2)o1 ZINC000580141945 439066551 /nfs/dbraw/zinc/06/65/51/439066551.db2.gz SDYCYHPLQMNQOP-AWEZNQCLSA-N 1 1 347.419 0.349 20 30 ECEDMO C=CCn1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nn1 ZINC000566732607 439085092 /nfs/dbraw/zinc/08/50/92/439085092.db2.gz DBXZOADZHIVDFH-CQSZACIVSA-N 1 1 333.348 0.902 20 30 ECEDMO N#CC[C@]1(O)CC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000592150684 439168110 /nfs/dbraw/zinc/16/81/10/439168110.db2.gz HCSRVPRAFMUYNP-PBHICJAKSA-N 1 1 344.371 0.215 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856055 439143825 /nfs/dbraw/zinc/14/38/25/439143825.db2.gz JPFJNSRRIZHXPW-LXTVHRRPSA-N 1 1 335.452 0.017 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856055 439143829 /nfs/dbraw/zinc/14/38/29/439143829.db2.gz JPFJNSRRIZHXPW-LXTVHRRPSA-N 1 1 335.452 0.017 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000487709004 439159814 /nfs/dbraw/zinc/15/98/14/439159814.db2.gz VFYIDDPZHNKLAA-KBRIMQKVSA-N 1 1 340.427 0.973 20 30 ECEDMO CCOC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146654 439165019 /nfs/dbraw/zinc/16/50/19/439165019.db2.gz DVKXLFCZWLTPBE-YJBOKZPZSA-N 1 1 348.399 0.953 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000592184192 439175112 /nfs/dbraw/zinc/17/51/12/439175112.db2.gz FJEJHUTWMZCFJQ-ZIAGYGMSSA-N 1 1 346.353 0.795 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000592184192 439175116 /nfs/dbraw/zinc/17/51/16/439175116.db2.gz FJEJHUTWMZCFJQ-ZIAGYGMSSA-N 1 1 346.353 0.795 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000597774507 439178990 /nfs/dbraw/zinc/17/89/90/439178990.db2.gz MLWZSFKVMHIRKB-ZIAGYGMSSA-N 1 1 325.409 0.021 20 30 ECEDMO C[C@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1CC[NH+](C)CC1 ZINC000597937383 439201811 /nfs/dbraw/zinc/20/18/11/439201811.db2.gz OHWPIIPEBZXICA-CQSZACIVSA-N 1 1 347.488 0.904 20 30 ECEDMO N#Cc1ncn(CC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000597993150 439209964 /nfs/dbraw/zinc/20/99/64/439209964.db2.gz ZRWOXWLMQUUUSI-OAHLLOKOSA-N 1 1 340.387 0.033 20 30 ECEDMO C=CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000489105061 439214284 /nfs/dbraw/zinc/21/42/84/439214284.db2.gz SOOAKZQIKPDIBI-AWEZNQCLSA-N 1 1 329.466 0.521 20 30 ECEDMO CCN1CC[N@@H+](C[C@H]2CNc3c(C#N)cnn3C2)C[C@@H]1c1ncc[nH]1 ZINC000592510256 439244209 /nfs/dbraw/zinc/24/42/09/439244209.db2.gz DMVCGNKTGYSSAS-UKRRQHHQSA-N 1 1 340.435 0.898 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000603422292 439259998 /nfs/dbraw/zinc/25/99/98/439259998.db2.gz FQCLPHUTJRGGQH-OAHLLOKOSA-N 1 1 330.436 0.865 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N(C)C(=O)OCC)CC1 ZINC000491066280 439325372 /nfs/dbraw/zinc/32/53/72/439325372.db2.gz VPAVPZSDBBIPEZ-GFCCVEGCSA-N 1 1 340.424 0.939 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000491070959 439327251 /nfs/dbraw/zinc/32/72/51/439327251.db2.gz GUNKOWJSOKXSSB-UHFFFAOYSA-N 1 1 341.371 0.746 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000491106341 439332506 /nfs/dbraw/zinc/33/25/06/439332506.db2.gz YBKKJMSDAUJNTI-UHFFFAOYSA-N 1 1 338.411 0.636 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000491125464 439334281 /nfs/dbraw/zinc/33/42/81/439334281.db2.gz FBRVLUOPBPFQRI-LSDHHAIUSA-N 1 1 332.404 0.543 20 30 ECEDMO CN(C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO1)c1cccnn1 ZINC000598596865 439285382 /nfs/dbraw/zinc/28/53/82/439285382.db2.gz UOTFOSQTFNBPCD-LSDHHAIUSA-N 1 1 333.436 0.914 20 30 ECEDMO CN(C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO1)c1cccnn1 ZINC000598596865 439285386 /nfs/dbraw/zinc/28/53/86/439285386.db2.gz UOTFOSQTFNBPCD-LSDHHAIUSA-N 1 1 333.436 0.914 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(=O)NCC)c1 ZINC000491127186 439338056 /nfs/dbraw/zinc/33/80/56/439338056.db2.gz VOQQRSOPWCVUJZ-UHFFFAOYSA-N 1 1 344.415 0.446 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)CCC)C2)CC1 ZINC000490780221 439298475 /nfs/dbraw/zinc/29/84/75/439298475.db2.gz GQTMRQATHPXRGB-QGZVFWFLSA-N 1 1 348.491 0.392 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2nc(C)nn2-c2ccc(C#N)cc2)C1 ZINC000598685776 439304808 /nfs/dbraw/zinc/30/48/08/439304808.db2.gz RNLUSIRFKOCTQX-OAHLLOKOSA-N 1 1 340.387 0.529 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2nc(C)nn2-c2ccc(C#N)cc2)C1 ZINC000598685776 439304812 /nfs/dbraw/zinc/30/48/12/439304812.db2.gz RNLUSIRFKOCTQX-OAHLLOKOSA-N 1 1 340.387 0.529 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000490898857 439309335 /nfs/dbraw/zinc/30/93/35/439309335.db2.gz MJZYNHSJCHXXDI-STQMWFEESA-N 1 1 330.450 0.591 20 30 ECEDMO C[C@]1(CO)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@]1(C)CO ZINC000528747428 439365342 /nfs/dbraw/zinc/36/53/42/439365342.db2.gz AISTXBABGJPLAS-NXHRZFHOSA-N 1 1 334.416 0.611 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000491165867 439343559 /nfs/dbraw/zinc/34/35/59/439343559.db2.gz NRXASNYEGAMLBR-CYBMUJFWSA-N 1 1 328.376 0.564 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000491165867 439343564 /nfs/dbraw/zinc/34/35/64/439343564.db2.gz NRXASNYEGAMLBR-CYBMUJFWSA-N 1 1 328.376 0.564 20 30 ECEDMO Cn1cnnc1N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528536509 439346887 /nfs/dbraw/zinc/34/68/87/439346887.db2.gz DBGNLBFBXIJMNF-OAHLLOKOSA-N 1 1 342.403 0.249 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)CC[C@@H]1CCCCN1C(C)=O ZINC000491203452 439348416 /nfs/dbraw/zinc/34/84/16/439348416.db2.gz WHMMCVLFBAANQP-INIZCTEOSA-N 1 1 343.493 0.652 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000491553656 439405531 /nfs/dbraw/zinc/40/55/31/439405531.db2.gz BNZMCHVZNKDOOL-UHFFFAOYSA-N 1 1 341.477 0.262 20 30 ECEDMO O=C(NCC#Cc1ccccc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000570028471 439383979 /nfs/dbraw/zinc/38/39/79/439383979.db2.gz RIBHYNYNIQRINF-KRWDZBQOSA-N 1 1 340.427 0.644 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000491617501 439412422 /nfs/dbraw/zinc/41/24/22/439412422.db2.gz CSQKYEIHIXVYJZ-MRXNPFEDSA-N 1 1 348.491 0.377 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1cc(=O)n2ccccc2n1 ZINC000491652332 439420137 /nfs/dbraw/zinc/42/01/37/439420137.db2.gz LVBWFERGEPOFGO-UHFFFAOYSA-N 1 1 327.388 0.449 20 30 ECEDMO C#CCN1C(=O)C[C@@H](N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1=O ZINC000491723785 439435154 /nfs/dbraw/zinc/43/51/54/439435154.db2.gz DOXYNMTUTGEVDD-RCCFBDPRSA-N 1 1 337.423 0.953 20 30 ECEDMO C#CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1=O ZINC000491723785 439435157 /nfs/dbraw/zinc/43/51/57/439435157.db2.gz DOXYNMTUTGEVDD-RCCFBDPRSA-N 1 1 337.423 0.953 20 30 ECEDMO C#CCN1C(=O)C[C@@H]([N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1=O ZINC000491723785 439435159 /nfs/dbraw/zinc/43/51/59/439435159.db2.gz DOXYNMTUTGEVDD-RCCFBDPRSA-N 1 1 337.423 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1nnn(-c2cnn(C)c2)c1C ZINC000491745452 439439450 /nfs/dbraw/zinc/43/94/50/439439450.db2.gz KOWVSWMHEJGVQC-CYBMUJFWSA-N 1 1 328.376 0.564 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1nnn(-c2cnn(C)c2)c1C ZINC000491745452 439439454 /nfs/dbraw/zinc/43/94/54/439439454.db2.gz KOWVSWMHEJGVQC-CYBMUJFWSA-N 1 1 328.376 0.564 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)Cc1cccc(OCC(=O)NC)c1 ZINC000491754405 439442721 /nfs/dbraw/zinc/44/27/21/439442721.db2.gz SMXOAUUXTUDRGR-INIZCTEOSA-N 1 1 344.411 0.995 20 30 ECEDMO C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCN1S(C)(=O)=O ZINC000599353037 439445503 /nfs/dbraw/zinc/44/55/03/439445503.db2.gz JZERTYWONPNJIC-KBPBESRZSA-N 1 1 345.465 0.023 20 30 ECEDMO C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCN1S(C)(=O)=O ZINC000599353037 439445507 /nfs/dbraw/zinc/44/55/07/439445507.db2.gz JZERTYWONPNJIC-KBPBESRZSA-N 1 1 345.465 0.023 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)C(C)(C)[C@H]2[C@@H]2CCCO2)CC1 ZINC000491794341 439452199 /nfs/dbraw/zinc/45/21/99/439452199.db2.gz QEICBNABQAGVIN-JKSUJKDBSA-N 1 1 347.459 0.821 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)c1C#N ZINC000570291705 439407880 /nfs/dbraw/zinc/40/78/80/439407880.db2.gz DABIEDAEMJQEIH-UHFFFAOYSA-N 1 1 344.463 0.981 20 30 ECEDMO CN(C)C(=O)[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000570908181 439460120 /nfs/dbraw/zinc/46/01/20/439460120.db2.gz ZOBOTMMVBGIXIZ-UKRRQHHQSA-N 1 1 340.383 0.600 20 30 ECEDMO CN(C)C(=O)[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000570908181 439460124 /nfs/dbraw/zinc/46/01/24/439460124.db2.gz ZOBOTMMVBGIXIZ-UKRRQHHQSA-N 1 1 340.383 0.600 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C[C@@H](C)O)C3CC3)CC2)o1 ZINC000594065449 439510939 /nfs/dbraw/zinc/51/09/39/439510939.db2.gz POYPIQUWTCQGBY-GFCCVEGCSA-N 1 1 347.419 0.349 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000599559128 439503609 /nfs/dbraw/zinc/50/36/09/439503609.db2.gz SBDMMFUXSYYGIV-PBHICJAKSA-N 1 1 334.372 0.562 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000599568897 439507143 /nfs/dbraw/zinc/50/71/43/439507143.db2.gz KXJMHNQQBYDHHM-WMLDXEAASA-N 1 1 334.372 0.562 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H](N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2=O)cc1 ZINC000594026057 439509421 /nfs/dbraw/zinc/50/94/21/439509421.db2.gz ZEHSLTVIFANPAH-KSZLIROESA-N 1 1 340.427 0.804 20 30 ECEDMO C[N@@H+]1CCN(c2cc(C#N)ncn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000492392699 439533580 /nfs/dbraw/zinc/53/35/80/439533580.db2.gz UWUSTUGNXYXQNE-ZDUSSCGKSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2cc(C#N)ncn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000492392699 439533585 /nfs/dbraw/zinc/53/35/85/439533585.db2.gz UWUSTUGNXYXQNE-ZDUSSCGKSA-N 1 1 332.408 0.993 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Cn2cnc(C#N)n2)C[C@H](C)O1 ZINC000610881956 439652959 /nfs/dbraw/zinc/65/29/59/439652959.db2.gz CGIOIUCGHZBDCX-HZSPNIEDSA-N 1 1 332.408 0.250 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Cn2cnc(C#N)n2)C[C@H](C)O1 ZINC000610881956 439652962 /nfs/dbraw/zinc/65/29/62/439652962.db2.gz CGIOIUCGHZBDCX-HZSPNIEDSA-N 1 1 332.408 0.250 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610906825 439656228 /nfs/dbraw/zinc/65/62/28/439656228.db2.gz AYLANYWVOOSGSA-IAQYHMDHSA-N 1 1 346.387 0.341 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610906825 439656232 /nfs/dbraw/zinc/65/62/32/439656232.db2.gz AYLANYWVOOSGSA-IAQYHMDHSA-N 1 1 346.387 0.341 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000610916736 439657828 /nfs/dbraw/zinc/65/78/28/439657828.db2.gz AOAVNQPHBCGTQC-YGRLFVJLSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000610916736 439657829 /nfs/dbraw/zinc/65/78/29/439657829.db2.gz AOAVNQPHBCGTQC-YGRLFVJLSA-N 1 1 334.351 0.471 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000586850605 439662747 /nfs/dbraw/zinc/66/27/47/439662747.db2.gz VXUDNARZFXPITI-CYBMUJFWSA-N 1 1 332.404 0.430 20 30 ECEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595173628 439667619 /nfs/dbraw/zinc/66/76/19/439667619.db2.gz VBCBTGWPLHCGFJ-DYVFJYSZSA-N 1 1 336.436 0.052 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595173628 439667623 /nfs/dbraw/zinc/66/76/23/439667623.db2.gz VBCBTGWPLHCGFJ-DYVFJYSZSA-N 1 1 336.436 0.052 20 30 ECEDMO Cc1onc(CC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1C#N ZINC000611524105 439702681 /nfs/dbraw/zinc/70/26/81/439702681.db2.gz QAWUYLSLRSGDKF-UHFFFAOYSA-N 1 1 342.403 0.865 20 30 ECEDMO Cc1onc(CC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1C#N ZINC000611524105 439702686 /nfs/dbraw/zinc/70/26/86/439702686.db2.gz QAWUYLSLRSGDKF-UHFFFAOYSA-N 1 1 342.403 0.865 20 30 ECEDMO COc1cc(C#N)ccc1OCCCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600535188 439674897 /nfs/dbraw/zinc/67/48/97/439674897.db2.gz XIXGTOOEVZCPGR-OAHLLOKOSA-N 1 1 347.415 0.909 20 30 ECEDMO N#Cc1ccc(N2CCC([NH2+]C[C@H](O)CN3CCCC3)CC2)nc1 ZINC000600722175 439695603 /nfs/dbraw/zinc/69/56/03/439695603.db2.gz GTBFJIQNVDDBIA-KRWDZBQOSA-N 1 1 329.448 0.968 20 30 ECEDMO N#CCCN1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612110116 439747637 /nfs/dbraw/zinc/74/76/37/439747637.db2.gz FQCZQDVWVLWAAQ-AWEZNQCLSA-N 1 1 334.376 0.866 20 30 ECEDMO C[C@H](O)C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000613394785 439756346 /nfs/dbraw/zinc/75/63/46/439756346.db2.gz CHPSTGDIGKNSBK-XIRDDKMYSA-N 1 1 334.416 0.964 20 30 ECEDMO C[C@H](O)C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000613394785 439756347 /nfs/dbraw/zinc/75/63/47/439756347.db2.gz CHPSTGDIGKNSBK-XIRDDKMYSA-N 1 1 334.416 0.964 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000595469917 439731995 /nfs/dbraw/zinc/73/19/95/439731995.db2.gz JSDUEYMJKKWYLQ-LSDHHAIUSA-N 1 1 338.452 0.573 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595469917 439731998 /nfs/dbraw/zinc/73/19/98/439731998.db2.gz JSDUEYMJKKWYLQ-LSDHHAIUSA-N 1 1 338.452 0.573 20 30 ECEDMO C=C[C@H](O)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000614721096 439785051 /nfs/dbraw/zinc/78/50/51/439785051.db2.gz GXDLJICXMMXNJI-ROUUACIJSA-N 1 1 329.444 0.952 20 30 ECEDMO C=C[C@@H](O)C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000614861981 439789399 /nfs/dbraw/zinc/78/93/99/439789399.db2.gz YEORYZLMGUYOSX-OAHLLOKOSA-N 1 1 345.399 0.220 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000646915626 439930155 /nfs/dbraw/zinc/93/01/55/439930155.db2.gz RLNKHMVMQDIBES-ZBFHGGJFSA-N 1 1 349.456 0.927 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000649188232 440409929 /nfs/dbraw/zinc/40/99/29/440409929.db2.gz HBXJTBLMFMOQEV-QZTJIDSGSA-N 1 1 329.444 0.866 20 30 ECEDMO C=CCOCC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000645128415 440750226 /nfs/dbraw/zinc/75/02/26/440750226.db2.gz SDZVCQLVSJPRJE-UHFFFAOYSA-N 1 1 325.434 0.659 20 30 ECEDMO C=CC[N@@H+](CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O)C(C)(C)C ZINC000661760749 440914833 /nfs/dbraw/zinc/91/48/33/440914833.db2.gz ZCRPEOWRVXXVPO-UHFFFAOYSA-N 1 1 338.408 0.647 20 30 ECEDMO C=CC[N@H+](CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O)C(C)(C)C ZINC000661760749 440914840 /nfs/dbraw/zinc/91/48/40/440914840.db2.gz ZCRPEOWRVXXVPO-UHFFFAOYSA-N 1 1 338.408 0.647 20 30 ECEDMO C=CCCn1cc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)nn1 ZINC000657491209 441009908 /nfs/dbraw/zinc/00/99/08/441009908.db2.gz VRSDQNTZXDNGTN-UHFFFAOYSA-N 1 1 348.495 0.740 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001077991135 782089950 /nfs/dbraw/zinc/08/99/50/782089950.db2.gz KLOUZPPTMYQJHF-QDIHITRGSA-N 1 1 337.464 0.618 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)c1C#N ZINC000562346874 322270558 /nfs/dbraw/zinc/27/05/58/322270558.db2.gz AGVKNWUAYNIHIN-MRXNPFEDSA-N 1 1 342.447 0.876 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)cc1 ZINC000564452286 322375633 /nfs/dbraw/zinc/37/56/33/322375633.db2.gz DMNWWTNGVYMUNP-SJORKVTESA-N 1 1 333.432 0.734 20 30 ECEDMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000569926380 322669577 /nfs/dbraw/zinc/66/95/77/322669577.db2.gz WWRVYUSMDNQBPF-UHFFFAOYSA-N 1 1 326.360 0.945 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000174927754 527109508 /nfs/dbraw/zinc/10/95/08/527109508.db2.gz DDGXGZPMEMIXNC-GFCCVEGCSA-N 1 1 333.363 0.844 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)CC1 ZINC000172352713 545866901 /nfs/dbraw/zinc/86/69/01/545866901.db2.gz PIMGJEUAOLIXRJ-QWHCGFSZSA-N 1 1 329.466 0.854 20 30 ECEDMO Cc1n[nH]cc1CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000328654854 546003838 /nfs/dbraw/zinc/00/38/38/546003838.db2.gz MEACMPJIPKCVJC-UHFFFAOYSA-N 1 1 348.451 0.618 20 30 ECEDMO N#C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000329017385 546012534 /nfs/dbraw/zinc/01/25/34/546012534.db2.gz RAWSVJNBKSEAIN-LSDHHAIUSA-N 1 1 334.420 0.958 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCc1cn2c(n1)CCCC2 ZINC000329346801 546021178 /nfs/dbraw/zinc/02/11/78/546021178.db2.gz DCBQFZURPGGIBI-OAHLLOKOSA-N 1 1 334.468 0.511 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)N1CC[NH+](C)CC1 ZINC000329406793 546022856 /nfs/dbraw/zinc/02/28/56/546022856.db2.gz XILPWEWHAIMGJG-TZMCWYRMSA-N 1 1 334.424 0.118 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1cnc2sccc2c1=O ZINC000329390704 546022917 /nfs/dbraw/zinc/02/29/17/546022917.db2.gz VATBKTPWDMOTCY-NSHDSACASA-N 1 1 335.433 0.660 20 30 ECEDMO CS(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000329448064 546024960 /nfs/dbraw/zinc/02/49/60/546024960.db2.gz OFAIDKJVIFUXFR-UHFFFAOYSA-N 1 1 335.495 0.663 20 30 ECEDMO N#C[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000332967955 546056370 /nfs/dbraw/zinc/05/63/70/546056370.db2.gz YCAJLNWZLHFSDH-ARFHVFGLSA-N 1 1 348.447 0.508 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H]1C ZINC000619710802 546360515 /nfs/dbraw/zinc/36/05/15/546360515.db2.gz WCFBBMSVWBVFOZ-HZSPNIEDSA-N 1 1 330.454 0.260 20 30 ECEDMO C[C@@H]1CC(=O)NCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625274810 547059265 /nfs/dbraw/zinc/05/92/65/547059265.db2.gz JVAMFXOVUVECGG-CYBMUJFWSA-N 1 1 325.368 0.496 20 30 ECEDMO C[C@@H]1CC(=O)NCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625274810 547059269 /nfs/dbraw/zinc/05/92/69/547059269.db2.gz JVAMFXOVUVECGG-CYBMUJFWSA-N 1 1 325.368 0.496 20 30 ECEDMO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000680447048 549169701 /nfs/dbraw/zinc/16/97/01/549169701.db2.gz OKQDKRKPACHZTC-CQSZACIVSA-N 1 1 348.403 0.178 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001041775731 782177666 /nfs/dbraw/zinc/17/76/66/782177666.db2.gz SLEGQNSZINBRSA-QGZVFWFLSA-N 1 1 334.420 0.429 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)COc2cccc(C#N)c2)CC1 ZINC000750733557 579357954 /nfs/dbraw/zinc/35/79/54/579357954.db2.gz GMHVIMOGTUKLFD-UHFFFAOYSA-N 1 1 330.388 0.217 20 30 ECEDMO CC(C[C@@H]1CCOC1)=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000751521926 579370806 /nfs/dbraw/zinc/37/08/06/579370806.db2.gz NNJJIAMUOOACNF-AWEZNQCLSA-N 1 1 328.482 0.975 20 30 ECEDMO C#CCOCCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000753384768 579400124 /nfs/dbraw/zinc/40/01/24/579400124.db2.gz YQEFVFNMTACUIR-GOSISDBHSA-N 1 1 331.416 0.572 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000755492076 579434128 /nfs/dbraw/zinc/43/41/28/579434128.db2.gz HOCMHPPCBOMNCH-ZDUSSCGKSA-N 1 1 329.360 0.567 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000757685239 579463240 /nfs/dbraw/zinc/46/32/40/579463240.db2.gz JWGWUPQMTAWHEG-QQOGMKOOSA-N 1 1 347.419 0.295 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@@H]2C2CC2)c1=O ZINC000728562146 578289660 /nfs/dbraw/zinc/28/96/60/578289660.db2.gz GONOQBSIRMFHKH-CQSZACIVSA-N 1 1 332.404 0.376 20 30 ECEDMO C[NH+](C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccco1 ZINC000733886026 578348851 /nfs/dbraw/zinc/34/88/51/578348851.db2.gz DJGTUQXHWIBAOQ-QIVXWBPLSA-N 1 1 346.387 0.915 20 30 ECEDMO N#Cc1cnc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000737728457 578520095 /nfs/dbraw/zinc/52/00/95/578520095.db2.gz OQKYEOCQVSQEGY-UHFFFAOYSA-N 1 1 347.386 0.851 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000793902707 578565517 /nfs/dbraw/zinc/56/55/17/578565517.db2.gz RYIGUPIKIFHZJZ-WCVJEAGWSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000798398547 578645000 /nfs/dbraw/zinc/64/50/00/578645000.db2.gz XCQAINGZJJGLTR-GJZGRUSLSA-N 1 1 338.452 0.003 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000799180484 578660551 /nfs/dbraw/zinc/66/05/51/578660551.db2.gz LOXBVMBOGCTMIH-INMHGKMJSA-N 1 1 345.399 0.923 20 30 ECEDMO CN1CC[NH+](C(C)(C)CNC(=O)NCc2ccc(C#N)cn2)CC1 ZINC000780241040 578690369 /nfs/dbraw/zinc/69/03/69/578690369.db2.gz KZXZIXRRZZFDIG-UHFFFAOYSA-N 1 1 330.436 0.778 20 30 ECEDMO C=CCn1nnn(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1=S ZINC000780480457 578694718 /nfs/dbraw/zinc/69/47/18/578694718.db2.gz MRPZISXWJHXUOS-LBPRGKRZSA-N 1 1 326.470 0.730 20 30 ECEDMO C#CCC[NH+]1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000780565707 578696249 /nfs/dbraw/zinc/69/62/49/578696249.db2.gz MWULREBPQXLUAH-INIZCTEOSA-N 1 1 329.448 0.865 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000782968702 578736444 /nfs/dbraw/zinc/73/64/44/578736444.db2.gz MQPCWWLFEJSTIY-UHFFFAOYSA-N 1 1 342.465 0.256 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000783012828 578737408 /nfs/dbraw/zinc/73/74/08/578737408.db2.gz IYMIMBOSPQCHCV-CQSZACIVSA-N 1 1 329.466 0.857 20 30 ECEDMO C#CCOCCNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000783937426 578747365 /nfs/dbraw/zinc/74/73/65/578747365.db2.gz NUYVRAHKMVPGRH-INIZCTEOSA-N 1 1 344.415 0.908 20 30 ECEDMO C#CCOCCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000783937426 578747366 /nfs/dbraw/zinc/74/73/66/578747366.db2.gz NUYVRAHKMVPGRH-INIZCTEOSA-N 1 1 344.415 0.908 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)CC[N@H+]1C ZINC000787759214 578815817 /nfs/dbraw/zinc/81/58/17/578815817.db2.gz MIZLIOSFWZUCCD-GXTWGEPZSA-N 1 1 344.419 0.080 20 30 ECEDMO C(=NNCCC[NH+]1CCOCC1)c1cnnn1Cc1ccccc1 ZINC000793053558 578920912 /nfs/dbraw/zinc/92/09/12/578920912.db2.gz LOMLCLKELAHHHL-UHFFFAOYSA-N 1 1 328.420 0.972 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)NCC[N@@H+](CC)CCO)cc1 ZINC000769265465 579141763 /nfs/dbraw/zinc/14/17/63/579141763.db2.gz ADYQYQVIIHKZKP-UHFFFAOYSA-N 1 1 333.388 0.068 20 30 ECEDMO C=CC[C@@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ccncc1 ZINC000774470753 579248623 /nfs/dbraw/zinc/24/86/23/579248623.db2.gz NJYFBVAEFUFQEA-MRXNPFEDSA-N 1 1 346.431 0.654 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@H](C)[C@@H]2CC)c1=O ZINC000774618028 579252283 /nfs/dbraw/zinc/25/22/83/579252283.db2.gz HYWLPROYJWKFDE-KBPBESRZSA-N 1 1 334.420 0.622 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)[C@H]1CCCO1 ZINC000775794370 579271395 /nfs/dbraw/zinc/27/13/95/579271395.db2.gz QGVJFHUQVQEQNI-IAGOWNOFSA-N 1 1 343.427 0.661 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@H]1CCCO1 ZINC000776228072 579278277 /nfs/dbraw/zinc/27/82/77/579278277.db2.gz OETGOVSFCJSODP-IXDOHACOSA-N 1 1 334.464 0.589 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000776594008 579285599 /nfs/dbraw/zinc/28/55/99/579285599.db2.gz QSJYDLVAZUOYLH-LBPRGKRZSA-N 1 1 334.445 0.815 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000778325227 579308256 /nfs/dbraw/zinc/30/82/56/579308256.db2.gz HOERMQSZDFCYNE-SJORKVTESA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000778325227 579308257 /nfs/dbraw/zinc/30/82/57/579308257.db2.gz HOERMQSZDFCYNE-SJORKVTESA-N 1 1 335.448 0.034 20 30 ECEDMO CON=Cc1ccc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000761545271 579529783 /nfs/dbraw/zinc/52/97/83/579529783.db2.gz CBTRQYWBBHDWHE-UHFFFAOYSA-N 1 1 346.431 0.903 20 30 ECEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000762700200 579546080 /nfs/dbraw/zinc/54/60/80/579546080.db2.gz LLDKMXWWJYBQST-SJKOYZFVSA-N 1 1 346.387 0.099 20 30 ECEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746378183 579837497 /nfs/dbraw/zinc/83/74/97/579837497.db2.gz PRGMQTJAIKHECG-QWHCGFSZSA-N 1 1 332.408 0.582 20 30 ECEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746422138 579838912 /nfs/dbraw/zinc/83/89/12/579838912.db2.gz OHEAIDZWNQPZMV-AWEZNQCLSA-N 1 1 344.419 0.535 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000747980166 579855951 /nfs/dbraw/zinc/85/59/51/579855951.db2.gz SHWJXPZVIRWKHG-CVEARBPZSA-N 1 1 332.448 0.784 20 30 ECEDMO O=C(C#CC1CC1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000837381086 588950250 /nfs/dbraw/zinc/95/02/50/588950250.db2.gz DUJVSNBIVSGFKP-UHFFFAOYSA-N 1 1 325.412 0.860 20 30 ECEDMO NS(=O)(=O)c1cc(C(=NNC2=[NH+]CCN2)C2CC2)ccc1Cl ZINC000841660492 588996923 /nfs/dbraw/zinc/99/69/23/588996923.db2.gz PZHLWUPVUGCWTF-UHFFFAOYSA-N 1 1 341.824 0.650 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000842167823 589016608 /nfs/dbraw/zinc/01/66/08/589016608.db2.gz ISQWMKXDPJYJIZ-OAHLLOKOSA-N 1 1 331.372 0.843 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000842167823 589016610 /nfs/dbraw/zinc/01/66/10/589016610.db2.gz ISQWMKXDPJYJIZ-OAHLLOKOSA-N 1 1 331.372 0.843 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000890993132 586074345 /nfs/dbraw/zinc/07/43/45/586074345.db2.gz GBGMTHQLFANPPB-NEPJUHHUSA-N 1 1 349.822 0.628 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000890993132 586074346 /nfs/dbraw/zinc/07/43/46/586074346.db2.gz GBGMTHQLFANPPB-NEPJUHHUSA-N 1 1 349.822 0.628 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)nn1CCC#N ZINC000891006009 586075130 /nfs/dbraw/zinc/07/51/30/586075130.db2.gz JZULEBIRODVJTN-UHFFFAOYSA-N 1 1 332.408 0.596 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)nn1CCC#N ZINC000891006009 586075132 /nfs/dbraw/zinc/07/51/32/586075132.db2.gz JZULEBIRODVJTN-UHFFFAOYSA-N 1 1 332.408 0.596 20 30 ECEDMO CC#CC[C@H](CO)[NH2+]Cc1c(I)cnn1C ZINC000895102892 586163245 /nfs/dbraw/zinc/16/32/45/586163245.db2.gz HLQRGVFJJDICSR-SECBINFHSA-N 1 1 333.173 0.889 20 30 ECEDMO CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+][C@@H]2CCCN(O)C2=O)C1 ZINC000895195728 586169041 /nfs/dbraw/zinc/16/90/41/586169041.db2.gz DVFSWRRVMOKMQL-VXGBXAGGSA-N 1 1 329.397 0.592 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896180691 586225344 /nfs/dbraw/zinc/22/53/44/586225344.db2.gz FDLPCWISANSFLZ-HNNXBMFYSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000896487717 586243735 /nfs/dbraw/zinc/24/37/35/586243735.db2.gz BOEJOOQQFQSOKH-YESZJQIVSA-N 1 1 334.464 0.325 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccnn3C)C2)C1 ZINC000896492599 586243889 /nfs/dbraw/zinc/24/38/89/586243889.db2.gz GDUQWCRTJVRIDL-ZBFHGGJFSA-N 1 1 331.420 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccnn3C)C2)C1 ZINC000896492599 586243890 /nfs/dbraw/zinc/24/38/90/586243890.db2.gz GDUQWCRTJVRIDL-ZBFHGGJFSA-N 1 1 331.420 0.601 20 30 ECEDMO C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896546281 586250445 /nfs/dbraw/zinc/25/04/45/586250445.db2.gz UUVVSPBZRAIQCA-WBAXXEDZSA-N 1 1 339.443 0.991 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2nc(Cl)nc3nc[nH]c32)CC1 ZINC000892515194 586270897 /nfs/dbraw/zinc/27/08/97/586270897.db2.gz IBSHHAJTAULMFS-UHFFFAOYSA-N 1 1 347.810 0.268 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2nc(Cl)nc3nc[nH]c32)CC1 ZINC000892515194 586270900 /nfs/dbraw/zinc/27/09/00/586270900.db2.gz IBSHHAJTAULMFS-UHFFFAOYSA-N 1 1 347.810 0.268 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000898255642 586411513 /nfs/dbraw/zinc/41/15/13/586411513.db2.gz VHHGGWBBTQTBKY-UHFFFAOYSA-N 1 1 331.416 0.906 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000843250281 589056181 /nfs/dbraw/zinc/05/61/81/589056181.db2.gz FXOFLNIWEBGHMG-HOTGVXAUSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000843250281 589056183 /nfs/dbraw/zinc/05/61/83/589056183.db2.gz FXOFLNIWEBGHMG-HOTGVXAUSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CCNC(=O)c1ccccc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900402715 586630018 /nfs/dbraw/zinc/63/00/18/586630018.db2.gz QIQBSCSZPOYENN-SFHVURJKSA-N 1 1 329.400 0.835 20 30 ECEDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc(C#CCO)c2)C1 ZINC000900512077 586638407 /nfs/dbraw/zinc/63/84/07/586638407.db2.gz KDBPHZYQGHHNOC-KRWDZBQOSA-N 1 1 343.427 0.348 20 30 ECEDMO N#Cc1c2c(cn(CN3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)c1=O)CCC2 ZINC000902643071 586749325 /nfs/dbraw/zinc/74/93/25/586749325.db2.gz KFJBLYGBEFKVPB-ROUUACIJSA-N 1 1 342.443 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1 ZINC000902730468 586755329 /nfs/dbraw/zinc/75/53/29/586755329.db2.gz RZCCUAUGTAAZFW-GFCCVEGCSA-N 1 1 326.356 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1(C(=O)OCC)CCOCC1 ZINC000888338918 586772049 /nfs/dbraw/zinc/77/20/49/586772049.db2.gz QBYMSLKWBWIJFM-CABCVRRESA-N 1 1 336.432 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1(C(=O)OCC)CCOCC1 ZINC000888338918 586772052 /nfs/dbraw/zinc/77/20/52/586772052.db2.gz QBYMSLKWBWIJFM-CABCVRRESA-N 1 1 336.432 0.949 20 30 ECEDMO COC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000903600016 586795077 /nfs/dbraw/zinc/79/50/77/586795077.db2.gz FWNNMKVOSZONQM-NSHDSACASA-N 1 1 329.809 0.821 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000838624425 586819376 /nfs/dbraw/zinc/81/93/76/586819376.db2.gz YHKXTDZELKRXND-AWEZNQCLSA-N 1 1 344.481 0.055 20 30 ECEDMO N#Cc1ccccc1N1CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905927479 586922983 /nfs/dbraw/zinc/92/29/83/586922983.db2.gz PHAPMYJHABWXEZ-SJLPKXTDSA-N 1 1 331.416 0.583 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906578441 586956797 /nfs/dbraw/zinc/95/67/97/586956797.db2.gz AAPICPANAVVNJH-QGZVFWFLSA-N 1 1 348.491 0.392 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)[C@H]1CCCO1 ZINC000809309583 587174269 /nfs/dbraw/zinc/17/42/69/587174269.db2.gz NRWZESHPCBXRCQ-HRCADAONSA-N 1 1 335.448 0.474 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC000810366844 587193705 /nfs/dbraw/zinc/19/37/05/587193705.db2.gz QCAXSRBLAANDOW-UONOGXRCSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1F ZINC000813659617 587258814 /nfs/dbraw/zinc/25/88/14/587258814.db2.gz ICRFAUROQQBCJS-CHWSQXEVSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC000813659617 587258816 /nfs/dbraw/zinc/25/88/16/587258816.db2.gz ICRFAUROQQBCJS-CHWSQXEVSA-N 1 1 339.392 0.839 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000815704445 587296431 /nfs/dbraw/zinc/29/64/31/587296431.db2.gz HKQLXVNRTLFEGG-DOMZBBRYSA-N 1 1 345.374 0.939 20 30 ECEDMO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1ccc(C#N)cn1 ZINC000819313233 587476339 /nfs/dbraw/zinc/47/63/39/587476339.db2.gz ZJUXLYGBJWTANU-UHFFFAOYSA-N 1 1 339.417 0.799 20 30 ECEDMO C[N@@H+]1CCc2[nH]c3ccc(C(=O)N[C@@H]4CCN(O)C4=O)cc3c2C1 ZINC000820138324 587512836 /nfs/dbraw/zinc/51/28/36/587512836.db2.gz YNMQHAJLJOSJHQ-OAHLLOKOSA-N 1 1 328.372 0.876 20 30 ECEDMO C[N@H+]1CCc2[nH]c3ccc(C(=O)N[C@@H]4CCN(O)C4=O)cc3c2C1 ZINC000820138324 587512838 /nfs/dbraw/zinc/51/28/38/587512838.db2.gz YNMQHAJLJOSJHQ-OAHLLOKOSA-N 1 1 328.372 0.876 20 30 ECEDMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCCN(O)C1=O ZINC000820483007 587537557 /nfs/dbraw/zinc/53/75/57/587537557.db2.gz WIEWWRWSQPMXOX-MRXNPFEDSA-N 1 1 346.431 0.301 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000823455281 587721588 /nfs/dbraw/zinc/72/15/88/587721588.db2.gz BORKCBHXDGLCKI-LSDHHAIUSA-N 1 1 336.436 0.132 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000823455281 587721590 /nfs/dbraw/zinc/72/15/90/587721590.db2.gz BORKCBHXDGLCKI-LSDHHAIUSA-N 1 1 336.436 0.132 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000823932414 587845283 /nfs/dbraw/zinc/84/52/83/587845283.db2.gz XLRWZVUDEGQONB-UHFFFAOYSA-N 1 1 325.369 0.696 20 30 ECEDMO CON=C(C(=O)N1CC[NH+](CCCF)CC1)c1csc(N)n1 ZINC000824117373 587855556 /nfs/dbraw/zinc/85/55/56/587855556.db2.gz VVSBKJOGMVFIDQ-UHFFFAOYSA-N 1 1 329.401 0.580 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC000827398954 588118345 /nfs/dbraw/zinc/11/83/45/588118345.db2.gz SXYNRXWLKUMHHT-AWEZNQCLSA-N 1 1 339.403 0.118 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC000827398954 588118346 /nfs/dbraw/zinc/11/83/46/588118346.db2.gz SXYNRXWLKUMHHT-AWEZNQCLSA-N 1 1 339.403 0.118 20 30 ECEDMO C#CCN(C(=O)[C@@H](C)N(C)C)C1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000831550655 588433164 /nfs/dbraw/zinc/43/31/64/588433164.db2.gz GKPYTGKAIOMTHT-HUUCEWRRSA-N 1 1 336.480 0.339 20 30 ECEDMO C#CCN(C(=O)[C@@H](C)[NH+](C)C)C1CCN(C(=O)[C@@H](C)N(C)C)CC1 ZINC000831550655 588433165 /nfs/dbraw/zinc/43/31/65/588433165.db2.gz GKPYTGKAIOMTHT-HUUCEWRRSA-N 1 1 336.480 0.339 20 30 ECEDMO CCS(=O)(=O)NCCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368014 589109350 /nfs/dbraw/zinc/10/93/50/589109350.db2.gz WCDOCKUBSODYAO-HNNXBMFYSA-N 1 1 325.434 0.853 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369175 589109387 /nfs/dbraw/zinc/10/93/87/589109387.db2.gz VYJHZDXKJRSIDR-DOMZBBRYSA-N 1 1 330.388 0.924 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369175 589109389 /nfs/dbraw/zinc/10/93/89/589109389.db2.gz VYJHZDXKJRSIDR-DOMZBBRYSA-N 1 1 330.388 0.924 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844949380 589126467 /nfs/dbraw/zinc/12/64/67/589126467.db2.gz XKJGUVGLWMAYOP-INIZCTEOSA-N 1 1 334.420 0.811 20 30 ECEDMO C#CCN(C(=O)NCCC[N@H+](C)CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000845309108 589142800 /nfs/dbraw/zinc/14/28/00/589142800.db2.gz BNZYDAKIYIGRAM-OAHLLOKOSA-N 1 1 343.493 0.796 20 30 ECEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000847027767 589233192 /nfs/dbraw/zinc/23/31/92/589233192.db2.gz CTOYQSHEEGISQD-JKSUJKDBSA-N 1 1 327.432 0.859 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)CC1 ZINC000847019915 589233224 /nfs/dbraw/zinc/23/32/24/589233224.db2.gz YVMYKRHWINEPQQ-VQIMIIECSA-N 1 1 347.459 0.429 20 30 ECEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCCN(O)C1=O ZINC000848134308 589279364 /nfs/dbraw/zinc/27/93/64/589279364.db2.gz RNNHCENGBMZFRH-LLVKDONJSA-N 1 1 332.364 0.333 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000849959320 589354132 /nfs/dbraw/zinc/35/41/32/589354132.db2.gz AFMGGTUCTURNFL-ZFWWWQNUSA-N 1 1 339.436 0.553 20 30 ECEDMO C#C[C@@H](NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C1CCOCC1 ZINC000852183114 589448531 /nfs/dbraw/zinc/44/85/31/589448531.db2.gz FOEHQLGNYYHYKD-NVXWUHKLSA-N 1 1 336.480 0.598 20 30 ECEDMO C#C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C1CCOCC1 ZINC000852638857 589504110 /nfs/dbraw/zinc/50/41/10/589504110.db2.gz HCKYLEYZWUJSJX-GOEBONIOSA-N 1 1 337.464 0.901 20 30 ECEDMO Cc1cc(NC[C@H]2COCCO2)c(C#N)c(NC[C@@H]2COCCO2)[nH+]1 ZINC000853209274 589537563 /nfs/dbraw/zinc/53/75/63/589537563.db2.gz LQBVIDKCRVMOCM-UONOGXRCSA-N 1 1 348.403 0.916 20 30 ECEDMO COc1ccc(C(N)=[NH+]OC[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000853654842 589553672 /nfs/dbraw/zinc/55/36/72/589553672.db2.gz MWVLLICAJBSXAL-NSHDSACASA-N 1 1 327.406 0.614 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000854094054 589571229 /nfs/dbraw/zinc/57/12/29/589571229.db2.gz CEDSVECHVVJGNQ-JKSUJKDBSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CCN(CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000854897265 589612315 /nfs/dbraw/zinc/61/23/15/589612315.db2.gz WGEYYEUOYWNUJA-AWEZNQCLSA-N 1 1 339.436 0.382 20 30 ECEDMO C#CCN(CC(=O)N1CC[N@H+](CCO)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000854897265 589612317 /nfs/dbraw/zinc/61/23/17/589612317.db2.gz WGEYYEUOYWNUJA-AWEZNQCLSA-N 1 1 339.436 0.382 20 30 ECEDMO C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(OCC#N)cc1 ZINC000858569850 589757687 /nfs/dbraw/zinc/75/76/87/589757687.db2.gz OMJPMCVKXHQOPT-LBPRGKRZSA-N 1 1 338.433 0.730 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000860529112 589779768 /nfs/dbraw/zinc/77/97/68/589779768.db2.gz ALJRQTHGECIALP-CYBMUJFWSA-N 1 1 328.372 0.724 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000859348408 589824962 /nfs/dbraw/zinc/82/49/62/589824962.db2.gz ABRCBBVXJDOHEL-LSDHHAIUSA-N 1 1 331.372 0.824 20 30 ECEDMO CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867950664 589864825 /nfs/dbraw/zinc/86/48/25/589864825.db2.gz YJSOGVFTYPHHGP-ABAIWWIYSA-N 1 1 335.429 0.684 20 30 ECEDMO CN(CC(=O)N1CCCC1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867985896 589866639 /nfs/dbraw/zinc/86/66/39/589866639.db2.gz QPUFFUUJDADIBG-QGZVFWFLSA-N 1 1 326.400 0.826 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2coc(C#N)c2)CC1=O ZINC000868389221 589900734 /nfs/dbraw/zinc/90/07/34/589900734.db2.gz YFZNGHVWKXFJKG-ZDUSSCGKSA-N 1 1 334.376 0.060 20 30 ECEDMO C#CC[C@H](COC)NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000863799615 590039453 /nfs/dbraw/zinc/03/94/53/590039453.db2.gz MUCSTVNTMXYHSP-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO C[N@H+]1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CCC1(C)C ZINC000871154645 590052126 /nfs/dbraw/zinc/05/21/26/590052126.db2.gz WLRABRHKDYXCRX-NXVVXOECSA-N 1 1 334.420 0.846 20 30 ECEDMO COC(=O)CCN(CC#N)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000871347389 590061108 /nfs/dbraw/zinc/06/11/08/590061108.db2.gz BQSAPYUWBDMEKP-HUUCEWRRSA-N 1 1 347.419 0.371 20 30 ECEDMO C#CCNC(=O)CO[NH+]=C(N)[C@H]1CCC(=O)N(CC2CCCC2)C1 ZINC000871766708 590086445 /nfs/dbraw/zinc/08/64/45/590086445.db2.gz ACPMVYCCTSUXPU-AWEZNQCLSA-N 1 1 334.420 0.663 20 30 ECEDMO N#CC1(CS(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CCCCC1 ZINC000872617687 590133837 /nfs/dbraw/zinc/13/38/37/590133837.db2.gz OTSDMJAXPWZSMH-LSDHHAIUSA-N 1 1 341.477 0.931 20 30 ECEDMO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000873727606 590198751 /nfs/dbraw/zinc/19/87/51/590198751.db2.gz YFIWOHWSVUCGSJ-CYBMUJFWSA-N 1 1 328.372 0.858 20 30 ECEDMO CCCCCCCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000875071409 590267538 /nfs/dbraw/zinc/26/75/38/590267538.db2.gz IVFKQPSKBLRNEY-UHFFFAOYSA-N 1 1 340.468 0.400 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000875139525 590275078 /nfs/dbraw/zinc/27/50/78/590275078.db2.gz AEJICJYEERFWOL-CVEARBPZSA-N 1 1 337.464 0.912 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCCO1 ZINC000875323042 590292717 /nfs/dbraw/zinc/29/27/17/590292717.db2.gz FLERQKNVNYVCLX-JYJNAYRXSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000875595891 590311742 /nfs/dbraw/zinc/31/17/42/590311742.db2.gz FHJSYWBXPQWYOQ-GDBMZVCRSA-N 1 1 335.448 0.664 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C[C@H]2C1=O ZINC000879534205 590320910 /nfs/dbraw/zinc/32/09/10/590320910.db2.gz ZIFPZBXNWGVNID-OKILXGFUSA-N 1 1 326.356 0.433 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879694678 590334764 /nfs/dbraw/zinc/33/47/64/590334764.db2.gz MLHPBJWFAFAMAT-HRCADAONSA-N 1 1 331.416 0.854 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3OCCNC(=O)[C@@H]32)cc1 ZINC000879718804 590337827 /nfs/dbraw/zinc/33/78/27/590337827.db2.gz ILEBLESRQRRQSS-NVXWUHKLSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3OCCNC(=O)[C@@H]32)cc1 ZINC000879718804 590337829 /nfs/dbraw/zinc/33/78/29/590337829.db2.gz ILEBLESRQRRQSS-NVXWUHKLSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1 ZINC000880072306 590366088 /nfs/dbraw/zinc/36/60/88/590366088.db2.gz RQQCJTZFVYRDNV-JKSUJKDBSA-N 1 1 349.456 0.473 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000880072306 590366091 /nfs/dbraw/zinc/36/60/91/590366091.db2.gz RQQCJTZFVYRDNV-JKSUJKDBSA-N 1 1 349.456 0.473 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCS1(=O)=O ZINC000876669864 590396904 /nfs/dbraw/zinc/39/69/04/590396904.db2.gz AEHINMUJEUMHAS-IAQYHMDHSA-N 1 1 333.413 0.391 20 30 ECEDMO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880581595 590408263 /nfs/dbraw/zinc/40/82/63/590408263.db2.gz FDIVPFYMGCZIIA-JKSUJKDBSA-N 1 1 329.400 0.948 20 30 ECEDMO N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880581595 590408266 /nfs/dbraw/zinc/40/82/66/590408266.db2.gz FDIVPFYMGCZIIA-JKSUJKDBSA-N 1 1 329.400 0.948 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876751215 590409187 /nfs/dbraw/zinc/40/91/87/590409187.db2.gz MPAOQWIZLPJWCZ-FUHWJXTLSA-N 1 1 342.443 0.972 20 30 ECEDMO COCC[N@H+]1CCCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876875344 590421060 /nfs/dbraw/zinc/42/10/60/590421060.db2.gz SCCHJYJAVRNEPK-SFHVURJKSA-N 1 1 342.443 0.926 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879085020 590563601 /nfs/dbraw/zinc/56/36/01/590563601.db2.gz ZUVAPSYDBKXVEP-CHWSQXEVSA-N 1 1 329.441 0.837 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879085020 590563604 /nfs/dbraw/zinc/56/36/04/590563604.db2.gz ZUVAPSYDBKXVEP-CHWSQXEVSA-N 1 1 329.441 0.837 20 30 ECEDMO C#CCCS(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000882617810 590564686 /nfs/dbraw/zinc/56/46/86/590564686.db2.gz SNDJYZGIDVJLFW-UHFFFAOYSA-N 1 1 327.450 0.145 20 30 ECEDMO C#CCC(CC#C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882634673 590566207 /nfs/dbraw/zinc/56/62/07/590566207.db2.gz IKWOPEGZQLSVTH-SFHVURJKSA-N 1 1 331.460 0.562 20 30 ECEDMO Cc1nc(C#N)cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000882986807 590600404 /nfs/dbraw/zinc/60/04/04/590600404.db2.gz KBCXBYAHCAROLD-HNNXBMFYSA-N 1 1 330.436 0.865 20 30 ECEDMO C#CCC1(O)CCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000883075443 590603748 /nfs/dbraw/zinc/60/37/48/590603748.db2.gz BUMBHLYCJQNRLL-MRXNPFEDSA-N 1 1 337.464 0.903 20 30 ECEDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000883893618 590677825 /nfs/dbraw/zinc/67/78/25/590677825.db2.gz ODWMMMWOMYARHX-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO C=CC[C@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883911996 590683157 /nfs/dbraw/zinc/68/31/57/590683157.db2.gz DXXALMSSCLJZKR-HZPDHXFCSA-N 1 1 340.468 0.019 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C1)CC2 ZINC000885312391 590714248 /nfs/dbraw/zinc/71/42/48/590714248.db2.gz LLLKGQNPBRGRLV-ZENOOKHLSA-N 1 1 348.428 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCc2nnc3n2CCCCC3)C1 ZINC000884044277 590715768 /nfs/dbraw/zinc/71/57/68/590715768.db2.gz AUSJZYPDFHTQBS-HNNXBMFYSA-N 1 1 344.463 0.944 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCc2nnc3n2CCCCC3)C1 ZINC000884044277 590715770 /nfs/dbraw/zinc/71/57/70/590715770.db2.gz AUSJZYPDFHTQBS-HNNXBMFYSA-N 1 1 344.463 0.944 20 30 ECEDMO C[C@@H]1CN(CCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@@H](C)O1 ZINC000884183690 590766049 /nfs/dbraw/zinc/76/60/49/590766049.db2.gz UDUWZRFGZRKJLK-FTRJEVOPSA-N 1 1 334.464 0.741 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000884321607 590804909 /nfs/dbraw/zinc/80/49/09/590804909.db2.gz SSEVWOHEWPNEHZ-MRXNPFEDSA-N 1 1 335.496 0.409 20 30 ECEDMO C=CCC1(O)CC[NH+]([C@@H]2CC(=O)N(CCOCCOC)C2=O)CC1 ZINC000887305839 590959056 /nfs/dbraw/zinc/95/90/56/590959056.db2.gz AUFUUTVDQXMSQE-CQSZACIVSA-N 1 1 340.420 0.180 20 30 ECEDMO C#CCN(CC#CC)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890138608 591134668 /nfs/dbraw/zinc/13/46/68/591134668.db2.gz DYJYTUUTKVMRBG-SFHVURJKSA-N 1 1 346.475 0.451 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N(CCN2CCOCC2)CC2CC2)C1 ZINC000890360972 591150789 /nfs/dbraw/zinc/15/07/89/591150789.db2.gz HFHJYXLKPGMFTR-GOSISDBHSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CCN2CCOCC2)CC2CC2)C1 ZINC000890360972 591150794 /nfs/dbraw/zinc/15/07/94/591150794.db2.gz HFHJYXLKPGMFTR-GOSISDBHSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000890360836 591150824 /nfs/dbraw/zinc/15/08/24/591150824.db2.gz CXKBYYDTSCFYHL-JKSUJKDBSA-N 1 1 332.448 0.738 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000890360836 591150827 /nfs/dbraw/zinc/15/08/27/591150827.db2.gz CXKBYYDTSCFYHL-JKSUJKDBSA-N 1 1 332.448 0.738 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000890369337 591153906 /nfs/dbraw/zinc/15/39/06/591153906.db2.gz SWLKFUWZULOEHQ-JKSUJKDBSA-N 1 1 330.436 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000890369337 591153908 /nfs/dbraw/zinc/15/39/08/591153908.db2.gz SWLKFUWZULOEHQ-JKSUJKDBSA-N 1 1 330.436 0.797 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946612694 611363855 /nfs/dbraw/zinc/36/38/55/611363855.db2.gz SFSFSXMNVMRTAD-KFWWJZLASA-N 1 1 331.416 0.328 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)CC[C@@H]2C1 ZINC000946642698 611383496 /nfs/dbraw/zinc/38/34/96/611383496.db2.gz PWFIACDKYDKDLS-IYBDPMFKSA-N 1 1 340.427 0.527 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC000946662852 611400168 /nfs/dbraw/zinc/40/01/68/611400168.db2.gz AASMUFGNTCCAPN-KBPBESRZSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC000946662852 611400173 /nfs/dbraw/zinc/40/01/73/611400173.db2.gz AASMUFGNTCCAPN-KBPBESRZSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@@H]2C1 ZINC000946664078 611400662 /nfs/dbraw/zinc/40/06/62/611400662.db2.gz JCGOREMDFUIIGH-GASCZTMLSA-N 1 1 344.415 0.143 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCCNc1cccc(C)[nH+]1)[C@@H]1CCCO1 ZINC000930469024 611430844 /nfs/dbraw/zinc/43/08/44/611430844.db2.gz CZAZQZCQZDSHEE-KBPBESRZSA-N 1 1 330.388 0.215 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947174536 611448939 /nfs/dbraw/zinc/44/89/39/611448939.db2.gz NABDTWUZZQYDHZ-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CCN1CCNC1=O ZINC000947175875 611451075 /nfs/dbraw/zinc/45/10/75/611451075.db2.gz UWGJBNHJGCJCQT-GXTWGEPZSA-N 1 1 344.419 0.494 20 30 ECEDMO C=CCn1cc(C(=O)NC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000946793992 611482473 /nfs/dbraw/zinc/48/24/73/611482473.db2.gz VRKHVUQODHQHSS-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C ZINC000947370671 611502177 /nfs/dbraw/zinc/50/21/77/611502177.db2.gz VFDYJUFSZBZVNI-CABCVRRESA-N 1 1 348.447 0.482 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000931145237 611511012 /nfs/dbraw/zinc/51/10/12/611511012.db2.gz PUXWQMGRZHPSCR-UHFFFAOYSA-N 1 1 327.428 0.625 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000931148465 611511327 /nfs/dbraw/zinc/51/13/27/611511327.db2.gz XRSFNEKJOSESDE-UHFFFAOYSA-N 1 1 347.484 0.852 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)C[C@@H]2C1 ZINC000931437269 611542422 /nfs/dbraw/zinc/54/24/22/611542422.db2.gz NOOMAZKZOVSHQC-CABCVRRESA-N 1 1 334.445 0.610 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2C(=O)CC(C)(C)C2=O)CC1 ZINC000948373815 611551996 /nfs/dbraw/zinc/55/19/96/611551996.db2.gz PJILWRUCVVITJF-CQSZACIVSA-N 1 1 333.432 0.718 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000947499651 611567631 /nfs/dbraw/zinc/56/76/31/611567631.db2.gz DAUADEAKQNMJRE-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)C[C@H]1C ZINC000947556148 611593918 /nfs/dbraw/zinc/59/39/18/611593918.db2.gz OSGPWKBEJVYSKH-TZMCWYRMSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000948435607 611594290 /nfs/dbraw/zinc/59/42/90/611594290.db2.gz NDVDJYBUJQDAPY-LSDHHAIUSA-N 1 1 326.462 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000948435607 611594292 /nfs/dbraw/zinc/59/42/92/611594292.db2.gz NDVDJYBUJQDAPY-LSDHHAIUSA-N 1 1 326.462 0.900 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCO[C@@H](C)CC3)CC2)o1 ZINC000932342363 611617462 /nfs/dbraw/zinc/61/74/62/611617462.db2.gz NDFIOUAXOPVGJI-ZDUSSCGKSA-N 1 1 347.419 0.614 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCO[C@@H](C)CC3)CC2)o1 ZINC000932342363 611617463 /nfs/dbraw/zinc/61/74/63/611617463.db2.gz NDFIOUAXOPVGJI-ZDUSSCGKSA-N 1 1 347.419 0.614 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC000949433390 608677606 /nfs/dbraw/zinc/67/76/06/608677606.db2.gz RLCLWTYLEQTNSJ-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC000949433293 608677721 /nfs/dbraw/zinc/67/77/21/608677721.db2.gz NENRVXAVSXDSIE-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC3(CC2)C[N@@H+](CCO)CCO3)c1 ZINC000949469338 608693263 /nfs/dbraw/zinc/69/32/63/608693263.db2.gz XLLKEUWZPUZUGX-UHFFFAOYSA-N 1 1 329.400 0.362 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000948561717 611655381 /nfs/dbraw/zinc/65/53/81/611655381.db2.gz MRTHQIBVMTYZHJ-MRXNPFEDSA-N 1 1 336.480 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000936545272 608763566 /nfs/dbraw/zinc/76/35/66/608763566.db2.gz YENYRPMZFQKSLR-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000936545272 608763569 /nfs/dbraw/zinc/76/35/69/608763569.db2.gz YENYRPMZFQKSLR-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000948577593 611659945 /nfs/dbraw/zinc/65/99/45/611659945.db2.gz ZQWDAJGSBSCWFG-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)[C@H](C)C2)c1 ZINC000947710166 611662229 /nfs/dbraw/zinc/66/22/29/611662229.db2.gz KWIHVOXSFKXVAX-RHSMWYFYSA-N 1 1 338.415 0.937 20 30 ECEDMO C#C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000934510481 608830256 /nfs/dbraw/zinc/83/02/56/608830256.db2.gz JBDWEAZNBZQYJP-INIZCTEOSA-N 1 1 348.491 0.533 20 30 ECEDMO C#C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000934510481 608830258 /nfs/dbraw/zinc/83/02/58/608830258.db2.gz JBDWEAZNBZQYJP-INIZCTEOSA-N 1 1 348.491 0.533 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC000947800415 608859341 /nfs/dbraw/zinc/85/93/41/608859341.db2.gz HOKPTLCRVRAPLL-PWSUYJOCSA-N 1 1 327.812 0.761 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC000947800415 608859346 /nfs/dbraw/zinc/85/93/46/608859346.db2.gz HOKPTLCRVRAPLL-PWSUYJOCSA-N 1 1 327.812 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000936626493 608898120 /nfs/dbraw/zinc/89/81/20/608898120.db2.gz BAZSKBMCDOJWOU-HOTGVXAUSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000936626493 608898122 /nfs/dbraw/zinc/89/81/22/608898122.db2.gz BAZSKBMCDOJWOU-HOTGVXAUSA-N 1 1 343.431 0.040 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947204818 608918073 /nfs/dbraw/zinc/91/80/73/608918073.db2.gz HFANVJFWCIAMJO-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCN1CCNC1=O ZINC000947205988 608921618 /nfs/dbraw/zinc/92/16/18/608921618.db2.gz ZHTYPYGPRKQLND-GXTWGEPZSA-N 1 1 344.419 0.494 20 30 ECEDMO CC[C@H](NC(=O)NCC#CCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000923776191 608922572 /nfs/dbraw/zinc/92/25/72/608922572.db2.gz PEKALEVNJMCHEG-ROUUACIJSA-N 1 1 345.443 0.961 20 30 ECEDMO CC[C@H](NC(=O)NCC#CCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000923776191 608922573 /nfs/dbraw/zinc/92/25/73/608922573.db2.gz PEKALEVNJMCHEG-ROUUACIJSA-N 1 1 345.443 0.961 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1C ZINC000947309916 608957492 /nfs/dbraw/zinc/95/74/92/608957492.db2.gz IXWXBORYERJVPC-KGLIPLIRSA-N 1 1 333.432 0.764 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)c1C#N ZINC000897526260 609048228 /nfs/dbraw/zinc/04/82/28/609048228.db2.gz DXKNESOGHRMDRE-SFHVURJKSA-N 1 1 342.447 0.735 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2C3CCC2(C(N)=O)CC3)cc1 ZINC000932932444 611686396 /nfs/dbraw/zinc/68/63/96/611686396.db2.gz JVRSWPDYIPAEBF-SWKXRBFHSA-N 1 1 329.400 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC000937887068 609375899 /nfs/dbraw/zinc/37/58/99/609375899.db2.gz VIPULRKJRKQQKM-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC000937887068 609375902 /nfs/dbraw/zinc/37/59/02/609375902.db2.gz VIPULRKJRKQQKM-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnc(C)c2)C1 ZINC000938170665 609482013 /nfs/dbraw/zinc/48/20/13/609482013.db2.gz LVEOSEBYWKDNOG-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnc(C)c2)C1 ZINC000938170665 609482015 /nfs/dbraw/zinc/48/20/15/609482015.db2.gz LVEOSEBYWKDNOG-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(C)CCOCC2)C1 ZINC000938170877 609482484 /nfs/dbraw/zinc/48/24/84/609482484.db2.gz QTBUGIAYZVPNST-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(C)CCOCC2)C1 ZINC000938170877 609482488 /nfs/dbraw/zinc/48/24/88/609482488.db2.gz QTBUGIAYZVPNST-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000938171769 609484464 /nfs/dbraw/zinc/48/44/64/609484464.db2.gz KNRHKBSANGWXPM-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000938171769 609484467 /nfs/dbraw/zinc/48/44/67/609484467.db2.gz KNRHKBSANGWXPM-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000908006969 609635209 /nfs/dbraw/zinc/63/52/09/609635209.db2.gz JLGGXOPKKKDOAH-HUUCEWRRSA-N 1 1 341.477 0.931 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908014099 609637326 /nfs/dbraw/zinc/63/73/26/609637326.db2.gz WSOKACRLGXBZHV-NEPJUHHUSA-N 1 1 341.458 0.839 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000908014099 609637328 /nfs/dbraw/zinc/63/73/28/609637328.db2.gz WSOKACRLGXBZHV-NEPJUHHUSA-N 1 1 341.458 0.839 20 30 ECEDMO C=CCn1c(-c2ncon2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000908736580 609659599 /nfs/dbraw/zinc/65/95/99/609659599.db2.gz OBZYWNBYPNGMGI-LBPRGKRZSA-N 1 1 331.380 0.425 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920208785 609675088 /nfs/dbraw/zinc/67/50/88/609675088.db2.gz OCHGJZJLJRYQNM-CYBMUJFWSA-N 1 1 344.415 0.706 20 30 ECEDMO C#CCCCc1nnc(N2CC[NH+]([C@H]3CCOC3)CC2)n1CCOC ZINC000909204334 609686829 /nfs/dbraw/zinc/68/68/29/609686829.db2.gz JHHCROYSOIBZKG-INIZCTEOSA-N 1 1 347.463 0.791 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@@H]1C ZINC000948071446 609721929 /nfs/dbraw/zinc/72/19/29/609721929.db2.gz YCJYVVJTRPTBNE-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000938322574 609736064 /nfs/dbraw/zinc/73/60/64/609736064.db2.gz UONMEJKEUDOLTF-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000938387536 609769084 /nfs/dbraw/zinc/76/90/84/609769084.db2.gz RSOHCCVUAMDQMM-ROUUACIJSA-N 1 1 339.439 0.879 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C[C@@H]1C ZINC000947344495 609786569 /nfs/dbraw/zinc/78/65/69/609786569.db2.gz VYZOYFLNWOMHTG-KBPBESRZSA-N 1 1 332.452 0.963 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000913988223 609840727 /nfs/dbraw/zinc/84/07/27/609840727.db2.gz HGHJHPDEDGZOQW-HOTGVXAUSA-N 1 1 336.480 0.883 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938539258 609857124 /nfs/dbraw/zinc/85/71/24/609857124.db2.gz GICQRHYQAVRSDD-KGLIPLIRSA-N 1 1 329.404 0.511 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925409327 609888194 /nfs/dbraw/zinc/88/81/94/609888194.db2.gz NTAURPOEHGWGRI-CHWSQXEVSA-N 1 1 329.408 0.272 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cs1 ZINC000916014418 609929621 /nfs/dbraw/zinc/92/96/21/609929621.db2.gz DKTGKKZBIKUJFM-ZDUSSCGKSA-N 1 1 343.474 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC000938756356 609981757 /nfs/dbraw/zinc/98/17/57/609981757.db2.gz OCHYSJXCSADJKT-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC000938756356 609981760 /nfs/dbraw/zinc/98/17/60/609981760.db2.gz OCHYSJXCSADJKT-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO CN(CC[NH+]1CC2(C1)CCOCC2)S(=O)(=O)CC(C)(C)C#N ZINC000919136599 610033230 /nfs/dbraw/zinc/03/32/30/610033230.db2.gz NSZFIXSGHIWBOF-UHFFFAOYSA-N 1 1 329.466 0.910 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938904044 610036320 /nfs/dbraw/zinc/03/63/20/610036320.db2.gz XHSAPEWIIGEGCX-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000938904164 610036517 /nfs/dbraw/zinc/03/65/17/610036517.db2.gz ZPYJKVRMCSVPKN-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000938968746 610058697 /nfs/dbraw/zinc/05/86/97/610058697.db2.gz NNABVSPPJMKRBL-HOTGVXAUSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cnn(CC)n3)C2)c1 ZINC000939108847 610083750 /nfs/dbraw/zinc/08/37/50/610083750.db2.gz WCGYPJFWILOVDB-SUMWQHHRSA-N 1 1 338.415 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000939168358 610105248 /nfs/dbraw/zinc/10/52/48/610105248.db2.gz JCYWGYMPNHWHPQ-NRKLIOEPSA-N 1 1 345.443 0.036 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000939168358 610105250 /nfs/dbraw/zinc/10/52/50/610105250.db2.gz JCYWGYMPNHWHPQ-NRKLIOEPSA-N 1 1 345.443 0.036 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000939762138 610120014 /nfs/dbraw/zinc/12/00/14/610120014.db2.gz MWDGDTHPRXZOAP-XHSDSOJGSA-N 1 1 346.431 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2oncc2C)C1 ZINC000939840607 610145936 /nfs/dbraw/zinc/14/59/36/610145936.db2.gz XZPCAHBKQNFNFU-KFWWJZLASA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2oncc2C)C1 ZINC000939840607 610145937 /nfs/dbraw/zinc/14/59/37/610145937.db2.gz XZPCAHBKQNFNFU-KFWWJZLASA-N 1 1 344.415 0.657 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(C)nn3)C2)nn1 ZINC000939292500 610149244 /nfs/dbraw/zinc/14/92/44/610149244.db2.gz LIWDLYKNHNKKGH-TZMCWYRMSA-N 1 1 344.423 0.233 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000940288259 610260027 /nfs/dbraw/zinc/26/00/27/610260027.db2.gz QLAVPTPCSHRXOC-XJKCOSOUSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000940505253 610293257 /nfs/dbraw/zinc/29/32/57/610293257.db2.gz ZGXDSYWCEQUDDW-MGPQQGTHSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC000941423491 610308325 /nfs/dbraw/zinc/30/83/25/610308325.db2.gz ZXXSRXCCKLCVOX-MRXNPFEDSA-N 1 1 346.475 0.095 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(C4CC4)cnn3C)CC2)C1 ZINC000941433109 610313152 /nfs/dbraw/zinc/31/31/52/610313152.db2.gz NAVTYCSRUVFDNY-UHFFFAOYSA-N 1 1 341.459 0.763 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCN(C2CN(CC#N)C2)CC1 ZINC000941437076 610314763 /nfs/dbraw/zinc/31/47/63/610314763.db2.gz QWKZPVMGFCXLCV-MRXNPFEDSA-N 1 1 333.480 0.601 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C ZINC000947895059 610328742 /nfs/dbraw/zinc/32/87/42/610328742.db2.gz GSOIGUZRVINORW-CHWSQXEVSA-N 1 1 336.436 0.862 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)C1 ZINC000941466146 610334409 /nfs/dbraw/zinc/33/44/09/610334409.db2.gz SITFPABHWUVNAD-OAHLLOKOSA-N 1 1 329.448 0.460 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(OCC)no3)CC2)C1 ZINC000941489256 610339760 /nfs/dbraw/zinc/33/97/60/610339760.db2.gz CNKPRSXRUZPLMG-UHFFFAOYSA-N 1 1 332.404 0.539 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1 ZINC000941500070 610344594 /nfs/dbraw/zinc/34/45/94/610344594.db2.gz KWJMGHPCIFAEEI-IAGOWNOFSA-N 1 1 343.475 0.928 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)CC2)C1 ZINC000941509320 610349842 /nfs/dbraw/zinc/34/98/42/610349842.db2.gz DURVMFPPICPLHP-UHFFFAOYSA-N 1 1 345.447 0.025 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)C1 ZINC000941509594 610350071 /nfs/dbraw/zinc/35/00/71/610350071.db2.gz SHSVEVALXMQWHX-UHFFFAOYSA-N 1 1 343.431 0.264 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000940753438 610357417 /nfs/dbraw/zinc/35/74/17/610357417.db2.gz LSRMMFNDJYHEOV-LBPRGKRZSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000941593820 610389150 /nfs/dbraw/zinc/38/91/50/610389150.db2.gz UQBZDOTVJYNHLK-JKSUJKDBSA-N 1 1 346.475 0.130 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](C)C1 ZINC000942313404 610392729 /nfs/dbraw/zinc/39/27/29/610392729.db2.gz IWYILFJAZPMJRP-JQWIXIFHSA-N 1 1 340.811 0.528 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](C)C1 ZINC000942313404 610392731 /nfs/dbraw/zinc/39/27/31/610392731.db2.gz IWYILFJAZPMJRP-JQWIXIFHSA-N 1 1 340.811 0.528 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000940842242 610396066 /nfs/dbraw/zinc/39/60/66/610396066.db2.gz BCUDAXXQUVPWGU-GFCCVEGCSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000940843187 610396096 /nfs/dbraw/zinc/39/60/96/610396096.db2.gz YXFQZCVQJKBQME-LBPRGKRZSA-N 1 1 339.417 0.391 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCCCN3C(C)=O)CC2)C1 ZINC000941601100 610401464 /nfs/dbraw/zinc/40/14/64/610401464.db2.gz KANHFJKEIWJTBY-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn[nH]n3)C(C)(C)C2)C1=O ZINC000940858392 610408938 /nfs/dbraw/zinc/40/89/38/610408938.db2.gz MJZHEIYSIQAMJZ-KBPBESRZSA-N 1 1 346.435 0.422 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000940858392 610408940 /nfs/dbraw/zinc/40/89/40/610408940.db2.gz MJZHEIYSIQAMJZ-KBPBESRZSA-N 1 1 346.435 0.422 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000940858392 610408943 /nfs/dbraw/zinc/40/89/43/610408943.db2.gz MJZHEIYSIQAMJZ-KBPBESRZSA-N 1 1 346.435 0.422 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@H]3CC)CC2)C1 ZINC000941632545 610418768 /nfs/dbraw/zinc/41/87/68/610418768.db2.gz JVFMFKRRTWSXGM-MRXNPFEDSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3cnn(C)c3)CC2)C1 ZINC000941622726 610426756 /nfs/dbraw/zinc/42/67/56/610426756.db2.gz NKUKMBRVYYFRAM-MRXNPFEDSA-N 1 1 343.475 0.450 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC000941650930 610440702 /nfs/dbraw/zinc/44/07/02/610440702.db2.gz KJLGCCJGQGYZOS-UHFFFAOYSA-N 1 1 333.436 0.447 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC000941678876 610451770 /nfs/dbraw/zinc/45/17/70/610451770.db2.gz LTHWRRZUMZARQM-QGZVFWFLSA-N 1 1 334.464 0.402 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)CC[C@H]1NC(=O)C(N)=O ZINC000940992486 610485421 /nfs/dbraw/zinc/48/54/21/610485421.db2.gz DFRDXVOQCZENIV-OAHLLOKOSA-N 1 1 331.391 0.879 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)CC2(C)C)c1 ZINC000941015847 610495222 /nfs/dbraw/zinc/49/52/22/610495222.db2.gz VDJPPRFYFGSGRB-MRXNPFEDSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](C)C1 ZINC000942542439 610505936 /nfs/dbraw/zinc/50/59/36/610505936.db2.gz FJQQRZYBWMTKAJ-UONOGXRCSA-N 1 1 329.404 0.509 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@H](C)C1 ZINC000942551305 610509614 /nfs/dbraw/zinc/50/96/14/610509614.db2.gz RBZOCBXQKRWUIO-IUODEOHRSA-N 1 1 330.432 0.861 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562379 610518201 /nfs/dbraw/zinc/51/82/01/610518201.db2.gz KQPZNHATXMXEKG-IUODEOHRSA-N 1 1 339.403 0.722 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000070758284 610524583 /nfs/dbraw/zinc/52/45/83/610524583.db2.gz ZNUZYOBGWYQVDZ-UHFFFAOYSA-N 1 1 346.431 0.967 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@H]2C)C1 ZINC000942607638 610536398 /nfs/dbraw/zinc/53/63/98/610536398.db2.gz INVPYISVLLEJQK-ZIAGYGMSSA-N 1 1 348.447 0.721 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2C)c1 ZINC000942617829 610539478 /nfs/dbraw/zinc/53/94/78/610539478.db2.gz SBZBVMUAOQCUBZ-XJKSGUPXSA-N 1 1 328.416 0.591 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nc3ncccn3n2)C(C)(C)C1 ZINC000941107242 610539709 /nfs/dbraw/zinc/53/97/09/610539709.db2.gz JLFXRRINDMHBOO-CYBMUJFWSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C(C)(C)C1 ZINC000941123625 610554165 /nfs/dbraw/zinc/55/41/65/610554165.db2.gz JNKIMVNILYLFGX-HNNXBMFYSA-N 1 1 330.432 0.710 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941928086 610566892 /nfs/dbraw/zinc/56/68/92/610566892.db2.gz AYSQZTGXBAGAFW-FZMZJTMJSA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@H]1C[N@@H+](CCN2CCNC2=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941928652 610567023 /nfs/dbraw/zinc/56/70/23/610567023.db2.gz FWGABSIQJXFKRH-GXTWGEPZSA-N 1 1 344.419 0.352 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929850 610567417 /nfs/dbraw/zinc/56/74/17/610567417.db2.gz PKKNLQPHJGCVSE-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941967787 610581670 /nfs/dbraw/zinc/58/16/70/610581670.db2.gz UGDIZWCKQDGAPO-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941210535 610597846 /nfs/dbraw/zinc/59/78/46/610597846.db2.gz HKZUMCRIJSFAFR-ZDUSSCGKSA-N 1 1 332.404 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000941244849 610615750 /nfs/dbraw/zinc/61/57/50/610615750.db2.gz AULUBZFGBDRCFI-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000941244849 610615752 /nfs/dbraw/zinc/61/57/52/610615752.db2.gz AULUBZFGBDRCFI-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2scnc2C)C1 ZINC000941237673 610621072 /nfs/dbraw/zinc/62/10/72/610621072.db2.gz FKRDIOUKZVIUCT-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2scnc2C)C1 ZINC000941237673 610621075 /nfs/dbraw/zinc/62/10/75/610621075.db2.gz FKRDIOUKZVIUCT-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2ccc(C)o2)C1 ZINC000941237471 610621120 /nfs/dbraw/zinc/62/11/20/610621120.db2.gz ANZWWIJMNOSAQE-WBVHZDCISA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2ccc(C)o2)C1 ZINC000941237471 610621122 /nfs/dbraw/zinc/62/11/22/610621122.db2.gz ANZWWIJMNOSAQE-WBVHZDCISA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000941237783 610621570 /nfs/dbraw/zinc/62/15/70/610621570.db2.gz JQXFRFSMKNZWTH-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000941237783 610621573 /nfs/dbraw/zinc/62/15/73/610621573.db2.gz JQXFRFSMKNZWTH-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000941238105 610622301 /nfs/dbraw/zinc/62/23/01/610622301.db2.gz UNLYNIJQAXYOLU-CVEARBPZSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000941238105 610622303 /nfs/dbraw/zinc/62/23/03/610622303.db2.gz UNLYNIJQAXYOLU-CVEARBPZSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)sn2)C1 ZINC000941238163 610622306 /nfs/dbraw/zinc/62/23/06/610622306.db2.gz WCBMXBYBERCNIN-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)sn2)C1 ZINC000941238163 610622308 /nfs/dbraw/zinc/62/23/08/610622308.db2.gz WCBMXBYBERCNIN-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000941349655 610685861 /nfs/dbraw/zinc/68/58/61/610685861.db2.gz OZWIDMSTZYUAEP-HUUCEWRRSA-N 1 1 346.435 0.034 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 ZINC000942175255 610686367 /nfs/dbraw/zinc/68/63/67/610686367.db2.gz HMLCUOBZAWRVES-HIFRSBDPSA-N 1 1 338.473 0.661 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000942190070 610690041 /nfs/dbraw/zinc/69/00/41/610690041.db2.gz YVMZXHCQBQSLTJ-YPMHNXCESA-N 1 1 339.417 0.391 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000942199743 610693742 /nfs/dbraw/zinc/69/37/42/610693742.db2.gz GTXNJMOWFCPQAD-HZPDHXFCSA-N 1 1 336.480 0.553 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H](C)C1 ZINC000942206785 610696641 /nfs/dbraw/zinc/69/66/41/610696641.db2.gz FGPDYEYLDIJLLX-KBPBESRZSA-N 1 1 342.403 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000941392432 610723244 /nfs/dbraw/zinc/72/32/44/610723244.db2.gz BOQQEBMWYVRQLJ-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000943165604 610734590 /nfs/dbraw/zinc/73/45/90/610734590.db2.gz OBWSPKCHXQOART-HUUCEWRRSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000943198377 610743932 /nfs/dbraw/zinc/74/39/32/610743932.db2.gz IGOOAPUXESRSPL-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)nc1 ZINC000944168058 610763252 /nfs/dbraw/zinc/76/32/52/610763252.db2.gz DLBVXFFJWDYQDI-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC000943293504 610783230 /nfs/dbraw/zinc/78/32/30/610783230.db2.gz XZIZAPHNPIMFOE-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC000943293504 610783231 /nfs/dbraw/zinc/78/32/31/610783231.db2.gz XZIZAPHNPIMFOE-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)[C@H](C)C1 ZINC000944831628 610801666 /nfs/dbraw/zinc/80/16/66/610801666.db2.gz QUOKTYZUOGHQKQ-CJNGLKHVSA-N 1 1 328.416 0.928 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000944272641 610806262 /nfs/dbraw/zinc/80/62/62/610806262.db2.gz KDUJCAOCPJYWCN-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000944272641 610806265 /nfs/dbraw/zinc/80/62/65/610806265.db2.gz KDUJCAOCPJYWCN-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)CC1 ZINC000944941524 610850238 /nfs/dbraw/zinc/85/02/38/610850238.db2.gz IGVYQODFNXXHAW-CYBMUJFWSA-N 1 1 329.404 0.802 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cncn3C)C[C@@H]2C)nn1 ZINC000943482898 610869451 /nfs/dbraw/zinc/86/94/51/610869451.db2.gz REWQDAYGXOBJAK-DZGCQCFKSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](C)C1 ZINC000943513867 610881339 /nfs/dbraw/zinc/88/13/39/610881339.db2.gz AYXJHFOADUXZRB-CABCVRRESA-N 1 1 348.451 0.582 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000945049001 610900582 /nfs/dbraw/zinc/90/05/82/610900582.db2.gz QQDVUGFQGMOBDJ-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000945049001 610900584 /nfs/dbraw/zinc/90/05/84/610900584.db2.gz QQDVUGFQGMOBDJ-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](CC)OC)CC1 ZINC000945107035 610911747 /nfs/dbraw/zinc/91/17/47/610911747.db2.gz QZIXKBYZVRRJML-JKSUJKDBSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](CC)OC)CC1 ZINC000945107035 610911748 /nfs/dbraw/zinc/91/17/48/610911748.db2.gz QZIXKBYZVRRJML-JKSUJKDBSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H](C)C1 ZINC000943648048 610928116 /nfs/dbraw/zinc/92/81/16/610928116.db2.gz SAZBGDHLKRHUEL-DOMZBBRYSA-N 1 1 341.415 0.795 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000943682640 610943631 /nfs/dbraw/zinc/94/36/31/610943631.db2.gz ASEGRYFIOHYPIP-QEJZJMRPSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccc[nH]1 ZINC000943862530 611006991 /nfs/dbraw/zinc/00/69/91/611006991.db2.gz ZDONGBMRLRAKGE-ZBFHGGJFSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccc[nH]1 ZINC000943862530 611006994 /nfs/dbraw/zinc/00/69/94/611006994.db2.gz ZDONGBMRLRAKGE-ZBFHGGJFSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CCC2)CCO1 ZINC000944648029 611056967 /nfs/dbraw/zinc/05/69/67/611056967.db2.gz RUBSAIPOUZFAFJ-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CCC2)CCO1 ZINC000944648029 611056970 /nfs/dbraw/zinc/05/69/70/611056970.db2.gz RUBSAIPOUZFAFJ-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cnns1 ZINC000944097862 611130819 /nfs/dbraw/zinc/13/08/19/611130819.db2.gz NUQLMNFIVRTTFT-OLZOCXBDSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cnns1 ZINC000944097862 611130821 /nfs/dbraw/zinc/13/08/21/611130821.db2.gz NUQLMNFIVRTTFT-OLZOCXBDSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(C)C)nn3)CC[C@@H]2C1 ZINC000946863937 611206194 /nfs/dbraw/zinc/20/61/94/611206194.db2.gz LNQGVZOQPVYWRT-GASCZTMLSA-N 1 1 327.432 0.960 20 30 ECEDMO C#CCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000921528124 611247016 /nfs/dbraw/zinc/24/70/16/611247016.db2.gz SYWYOHVBTXVAKF-ZWKOTPCHSA-N 1 1 348.491 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(Nc3nn[nH]n3)c2)C1 ZINC000923554735 611260031 /nfs/dbraw/zinc/26/00/31/611260031.db2.gz OTSAYCOFRLOBDW-CQSZACIVSA-N 1 1 325.376 0.771 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Nc3nn[nH]n3)c2)C1 ZINC000923554735 611260033 /nfs/dbraw/zinc/26/00/33/611260033.db2.gz OTSAYCOFRLOBDW-CQSZACIVSA-N 1 1 325.376 0.771 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)/C=C/c2cncc(C(=O)NC)c2)C1 ZINC000923574040 611267265 /nfs/dbraw/zinc/26/72/65/611267265.db2.gz CSEXZXPLXCESJK-MOEXGYKKSA-N 1 1 326.400 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000923579277 611267981 /nfs/dbraw/zinc/26/79/81/611267981.db2.gz PMVLMUHWERVBOY-MRXNPFEDSA-N 1 1 349.456 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000923579277 611267982 /nfs/dbraw/zinc/26/79/82/611267982.db2.gz PMVLMUHWERVBOY-MRXNPFEDSA-N 1 1 349.456 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN(C)c2ncnc3nc[nH]c32)C1 ZINC000923582195 611269540 /nfs/dbraw/zinc/26/95/40/611269540.db2.gz GNISDQVDVWGPTQ-GFCCVEGCSA-N 1 1 327.392 0.003 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)c2ncnc3nc[nH]c32)C1 ZINC000923582195 611269541 /nfs/dbraw/zinc/26/95/41/611269541.db2.gz GNISDQVDVWGPTQ-GFCCVEGCSA-N 1 1 327.392 0.003 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC)ccc2C)C1 ZINC000923589436 611270524 /nfs/dbraw/zinc/27/05/24/611270524.db2.gz RECRFAJEDIPTDU-AWEZNQCLSA-N 1 1 349.456 0.731 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC)ccc2C)C1 ZINC000923589436 611270525 /nfs/dbraw/zinc/27/05/25/611270525.db2.gz RECRFAJEDIPTDU-AWEZNQCLSA-N 1 1 349.456 0.731 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@@H]1C ZINC000947924446 611281279 /nfs/dbraw/zinc/28/12/79/611281279.db2.gz DEKDUQMTYQSGCE-WDEREUQCSA-N 1 1 334.376 0.502 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC000947944640 611281384 /nfs/dbraw/zinc/28/13/84/611281384.db2.gz XISNPVQQJQEZOR-QWHCGFSZSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC000947944640 611281385 /nfs/dbraw/zinc/28/13/85/611281385.db2.gz XISNPVQQJQEZOR-QWHCGFSZSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000948597433 611291551 /nfs/dbraw/zinc/29/15/51/611291551.db2.gz BBCSPHSLRKXZEE-LSDHHAIUSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000948597433 611291553 /nfs/dbraw/zinc/29/15/53/611291553.db2.gz BBCSPHSLRKXZEE-LSDHHAIUSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000834727421 611298328 /nfs/dbraw/zinc/29/83/28/611298328.db2.gz JRXTXIKODVUWQI-ZDUSSCGKSA-N 1 1 331.420 0.364 20 30 ECEDMO CCCn1nnnc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)CC[C@@H]2C1 ZINC000946521652 611298946 /nfs/dbraw/zinc/29/89/46/611298946.db2.gz YNVMZXVNRIQGFD-KFWWJZLASA-N 1 1 345.451 0.913 20 30 ECEDMO CCCn1nnnc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)CC[C@@H]2C1 ZINC000946521652 611298949 /nfs/dbraw/zinc/29/89/49/611298949.db2.gz YNVMZXVNRIQGFD-KFWWJZLASA-N 1 1 345.451 0.913 20 30 ECEDMO CS(=O)(=O)c1cccc(C=NNCCC[NH+]2CCOCC2)c1 ZINC000834977558 611305717 /nfs/dbraw/zinc/30/57/17/611305717.db2.gz UYWOIPTXCJPCRJ-UHFFFAOYSA-N 1 1 325.434 0.736 20 30 ECEDMO CCn1nnc(C)c1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000834926089 611305946 /nfs/dbraw/zinc/30/59/46/611305946.db2.gz WLWKUDPRXVWUPG-UHFFFAOYSA-N 1 1 339.469 0.127 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921911706 611325828 /nfs/dbraw/zinc/32/58/28/611325828.db2.gz RSFYHKKWTRZEHU-OCCSQVGLSA-N 1 1 330.454 0.308 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000922191612 611342589 /nfs/dbraw/zinc/34/25/89/611342589.db2.gz XAMFFBABJFLCDM-MSOLQXFVSA-N 1 1 345.443 0.961 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)C[C@@]2(O)CCOC2)c1 ZINC000929289437 611742817 /nfs/dbraw/zinc/74/28/17/611742817.db2.gz CCUWBXHCQBESSA-AEFFLSMTSA-N 1 1 332.400 0.441 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)C[C@@]2(O)CCOC2)c1 ZINC000929289437 611742820 /nfs/dbraw/zinc/74/28/20/611742820.db2.gz CCUWBXHCQBESSA-AEFFLSMTSA-N 1 1 332.400 0.441 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C ZINC000947929758 611744732 /nfs/dbraw/zinc/74/47/32/611744732.db2.gz NXOKQTUACMACNK-RYUDHWBXSA-N 1 1 330.392 0.576 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)[C@H](C)C2)nc1 ZINC000947947382 611752036 /nfs/dbraw/zinc/75/20/36/611752036.db2.gz GCGAZPDFWKXGJB-UKRRQHHQSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)[C@H](C)C2)nc1 ZINC000947947382 611752037 /nfs/dbraw/zinc/75/20/37/611752037.db2.gz GCGAZPDFWKXGJB-UKRRQHHQSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C2)cn1 ZINC000947948152 611752316 /nfs/dbraw/zinc/75/23/16/611752316.db2.gz LNXIZYFRJNEDIT-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H](C)C2)cn1 ZINC000947949332 611752855 /nfs/dbraw/zinc/75/28/55/611752855.db2.gz UFTZFMABJLTZKE-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC000948969191 611777111 /nfs/dbraw/zinc/77/71/11/611777111.db2.gz ANIVROGNTFSBOH-INIZCTEOSA-N 1 1 341.411 0.941 20 30 ECEDMO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC000948969191 611777114 /nfs/dbraw/zinc/77/71/14/611777114.db2.gz ANIVROGNTFSBOH-INIZCTEOSA-N 1 1 341.411 0.941 20 30 ECEDMO C#C[C@H]1CCCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000934512576 611805715 /nfs/dbraw/zinc/80/57/15/611805715.db2.gz QXARQXJLQZEBJK-HNNXBMFYSA-N 1 1 343.493 0.650 20 30 ECEDMO C#C[C@H]1CCCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000934512576 611805716 /nfs/dbraw/zinc/80/57/16/611805716.db2.gz QXARQXJLQZEBJK-HNNXBMFYSA-N 1 1 343.493 0.650 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ncoc1C ZINC000949018291 611809890 /nfs/dbraw/zinc/80/98/90/611809890.db2.gz BNYOIRYZYOMVHD-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ncoc1C ZINC000949018291 611809892 /nfs/dbraw/zinc/80/98/92/611809892.db2.gz BNYOIRYZYOMVHD-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000950648543 611816719 /nfs/dbraw/zinc/81/67/19/611816719.db2.gz PUEXRLOJKYSCRJ-BMFZPTHFSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000950648543 611816721 /nfs/dbraw/zinc/81/67/21/611816721.db2.gz PUEXRLOJKYSCRJ-BMFZPTHFSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cscn1 ZINC000949081731 611845321 /nfs/dbraw/zinc/84/53/21/611845321.db2.gz KDHQFGYUDWGLLW-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cscn1 ZINC000949081731 611845323 /nfs/dbraw/zinc/84/53/23/611845323.db2.gz KDHQFGYUDWGLLW-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)c1cn[nH]n1)CCO2 ZINC000949132814 611867900 /nfs/dbraw/zinc/86/79/00/611867900.db2.gz PJWZNHXZGBSKOW-UHFFFAOYSA-N 1 1 325.800 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(CC)n[nH]1 ZINC000950754580 611890361 /nfs/dbraw/zinc/89/03/61/611890361.db2.gz WKVHSVLHXWCCOD-ZBFHGGJFSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(CC)n[nH]1 ZINC000950754580 611890363 /nfs/dbraw/zinc/89/03/63/611890363.db2.gz WKVHSVLHXWCCOD-ZBFHGGJFSA-N 1 1 343.431 0.400 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950761752 611895059 /nfs/dbraw/zinc/89/50/59/611895059.db2.gz NGMQGEZWNRFDQV-DLBZAZTESA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950761752 611895062 /nfs/dbraw/zinc/89/50/62/611895062.db2.gz NGMQGEZWNRFDQV-DLBZAZTESA-N 1 1 347.459 0.616 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC3(CC2)C[N@@H+](CCCO)CCO3)c1 ZINC000949332867 611941632 /nfs/dbraw/zinc/94/16/32/611941632.db2.gz WKCBAOZSVAWSFY-UHFFFAOYSA-N 1 1 332.404 0.576 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3nnn(C(C)(C)C)n3)CC2)C1 ZINC000949370158 611954489 /nfs/dbraw/zinc/95/44/89/611954489.db2.gz LTONVEORICBCGO-UHFFFAOYSA-N 1 1 348.451 0.921 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3nnn(C(C)(C)C)n3)CC2)C1 ZINC000949370158 611954491 /nfs/dbraw/zinc/95/44/91/611954491.db2.gz LTONVEORICBCGO-UHFFFAOYSA-N 1 1 348.451 0.921 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000949390280 611961274 /nfs/dbraw/zinc/96/12/74/611961274.db2.gz AXSWRIIISFCBMC-UKRRQHHQSA-N 1 1 336.436 0.222 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000949390280 611961276 /nfs/dbraw/zinc/96/12/76/611961276.db2.gz AXSWRIIISFCBMC-UKRRQHHQSA-N 1 1 336.436 0.222 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395103 611963156 /nfs/dbraw/zinc/96/31/56/611963156.db2.gz MWMWJLCEKCLULA-SFHVURJKSA-N 1 1 347.459 0.619 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N[C@H](C)C3)CC2)C1 ZINC000949401349 611965794 /nfs/dbraw/zinc/96/57/94/611965794.db2.gz ADIYHBABKJALID-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N[C@H](C)C3)CC2)C1 ZINC000949401349 611965795 /nfs/dbraw/zinc/96/57/95/611965795.db2.gz ADIYHBABKJALID-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950320712 611969828 /nfs/dbraw/zinc/96/98/28/611969828.db2.gz URYGRTWUZOCQPA-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 ZINC000949470781 611991303 /nfs/dbraw/zinc/99/13/03/611991303.db2.gz JCGGBVOWVWUVBX-KRWDZBQOSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC000949472813 611992950 /nfs/dbraw/zinc/99/29/50/611992950.db2.gz OEPKQRXBFAQEJU-UHFFFAOYSA-N 1 1 332.404 0.607 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC000949472813 611992953 /nfs/dbraw/zinc/99/29/53/611992953.db2.gz OEPKQRXBFAQEJU-UHFFFAOYSA-N 1 1 332.404 0.607 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC000949498269 612008129 /nfs/dbraw/zinc/00/81/29/612008129.db2.gz DPDZVRYGQIHPCX-UHFFFAOYSA-N 1 1 346.431 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H]2CCCN(C)C2=O)C1 ZINC000950533808 612058010 /nfs/dbraw/zinc/05/80/10/612058010.db2.gz NHNKXMQATVGZJH-SJORKVTESA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H]2CCCN(C)C2=O)C1 ZINC000950533808 612058011 /nfs/dbraw/zinc/05/80/11/612058011.db2.gz NHNKXMQATVGZJH-SJORKVTESA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2ncccn2)C1 ZINC000950534433 612058172 /nfs/dbraw/zinc/05/81/72/612058172.db2.gz UXEPKWHFTBEYSF-INIZCTEOSA-N 1 1 327.432 0.607 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2ncccn2)C1 ZINC000950534433 612058171 /nfs/dbraw/zinc/05/81/71/612058171.db2.gz UXEPKWHFTBEYSF-INIZCTEOSA-N 1 1 327.432 0.607 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@H](C)C#N)C1 ZINC000952725403 612083851 /nfs/dbraw/zinc/08/38/51/612083851.db2.gz MVYGDPODTUCNQH-LVQVYYBASA-N 1 1 348.447 0.459 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@H](C)C#N)C1 ZINC000952725403 612083853 /nfs/dbraw/zinc/08/38/53/612083853.db2.gz MVYGDPODTUCNQH-LVQVYYBASA-N 1 1 348.447 0.459 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cnn(C)c2)C1 ZINC000951224026 612089161 /nfs/dbraw/zinc/08/91/61/612089161.db2.gz WJYLIGCWZIVWCS-HOTGVXAUSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cnn(C)c2)C1 ZINC000951224026 612089164 /nfs/dbraw/zinc/08/91/64/612089164.db2.gz WJYLIGCWZIVWCS-HOTGVXAUSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ncccn2)C1 ZINC000951224137 612089530 /nfs/dbraw/zinc/08/95/30/612089530.db2.gz YIAPUCJYHPXWRU-CABCVRRESA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ncccn2)C1 ZINC000951224137 612089533 /nfs/dbraw/zinc/08/95/33/612089533.db2.gz YIAPUCJYHPXWRU-CABCVRRESA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1oncc1C ZINC000951941449 612146334 /nfs/dbraw/zinc/14/63/34/612146334.db2.gz NGRPNWAIWMEKHE-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1oncc1C ZINC000951941449 612146337 /nfs/dbraw/zinc/14/63/37/612146337.db2.gz NGRPNWAIWMEKHE-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2(CF)CC2)C1 ZINC000951963903 612157204 /nfs/dbraw/zinc/15/72/04/612157204.db2.gz GZOHUFQTUFDJMR-CABCVRRESA-N 1 1 335.423 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2(CF)CC2)C1 ZINC000951963903 612157206 /nfs/dbraw/zinc/15/72/06/612157206.db2.gz GZOHUFQTUFDJMR-CABCVRRESA-N 1 1 335.423 0.941 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000951492388 612268437 /nfs/dbraw/zinc/26/84/37/612268437.db2.gz QZDNNMHDPOZBRL-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000952219493 612296954 /nfs/dbraw/zinc/29/69/54/612296954.db2.gz LVOWHAAHGSVZDF-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnc(C)s2)C1 ZINC000953863689 612364044 /nfs/dbraw/zinc/36/40/44/612364044.db2.gz BSCWXBIVJYNKPV-AWEZNQCLSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnc(C)s2)C1 ZINC000953863689 612364050 /nfs/dbraw/zinc/36/40/50/612364050.db2.gz BSCWXBIVJYNKPV-AWEZNQCLSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cn(C)nc2C)C1 ZINC000954630340 612466813 /nfs/dbraw/zinc/46/68/13/612466813.db2.gz CJNRAAKTKMTQOA-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cn(C)nc2C)C1 ZINC000954630340 612466817 /nfs/dbraw/zinc/46/68/17/612466817.db2.gz CJNRAAKTKMTQOA-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2[nH]cnc2C)C1 ZINC000954630662 612468364 /nfs/dbraw/zinc/46/83/64/612468364.db2.gz GKGFUWIVICTBIL-AWEZNQCLSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2[nH]cnc2C)C1 ZINC000954630662 612468369 /nfs/dbraw/zinc/46/83/69/612468369.db2.gz GKGFUWIVICTBIL-AWEZNQCLSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnn(CC)c2)C1 ZINC000954630666 612468459 /nfs/dbraw/zinc/46/84/59/612468459.db2.gz GLSJBBCLDHVUPH-INIZCTEOSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnn(CC)c2)C1 ZINC000954630666 612468463 /nfs/dbraw/zinc/46/84/63/612468463.db2.gz GLSJBBCLDHVUPH-INIZCTEOSA-N 1 1 343.431 0.283 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000955353243 612486770 /nfs/dbraw/zinc/48/67/70/612486770.db2.gz ZJSNULYPDYFRAK-NHYWBVRUSA-N 1 1 329.404 0.367 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954647664 612488819 /nfs/dbraw/zinc/48/88/19/612488819.db2.gz DLKCORIHGLONOQ-UKRRQHHQSA-N 1 1 337.464 0.977 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954647664 612488820 /nfs/dbraw/zinc/48/88/20/612488820.db2.gz DLKCORIHGLONOQ-UKRRQHHQSA-N 1 1 337.464 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cscn2)C1 ZINC000956766159 612494446 /nfs/dbraw/zinc/49/44/46/612494446.db2.gz DSDIIJTVXHAUNQ-WMLDXEAASA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cscn2)C1 ZINC000956766159 612494452 /nfs/dbraw/zinc/49/44/52/612494452.db2.gz DSDIIJTVXHAUNQ-WMLDXEAASA-N 1 1 346.456 0.962 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000956777413 612519783 /nfs/dbraw/zinc/51/97/83/612519783.db2.gz XRUZXMBTLHSSTD-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC000952592568 612540341 /nfs/dbraw/zinc/54/03/41/612540341.db2.gz CUOUPKRYZBZGIE-YUELXQCFSA-N 1 1 329.404 0.943 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000956004997 612596927 /nfs/dbraw/zinc/59/69/27/612596927.db2.gz TVTUOXXPVPBVOQ-LPHOPBHVSA-N 1 1 329.444 0.993 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1coc(C)n1 ZINC000956072748 612676683 /nfs/dbraw/zinc/67/66/83/612676683.db2.gz JIWJLAWOPIABBL-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1coc(C)n1 ZINC000956072748 612676685 /nfs/dbraw/zinc/67/66/85/612676685.db2.gz JIWJLAWOPIABBL-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cccnc1 ZINC000956073180 612677243 /nfs/dbraw/zinc/67/72/43/612677243.db2.gz DKKOFLUEMVQUIU-IRXDYDNUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cccnc1 ZINC000956073180 612677245 /nfs/dbraw/zinc/67/72/45/612677245.db2.gz DKKOFLUEMVQUIU-IRXDYDNUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cccn1C ZINC000956074513 612678277 /nfs/dbraw/zinc/67/82/77/612678277.db2.gz ZJGXGHPXPZMGHP-RDJZCZTQSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cccn1C ZINC000956074513 612678280 /nfs/dbraw/zinc/67/82/80/612678280.db2.gz ZJGXGHPXPZMGHP-RDJZCZTQSA-N 1 1 342.443 0.844 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000954788215 612683192 /nfs/dbraw/zinc/68/31/92/612683192.db2.gz QHJSBEFUPJWHKJ-OIISXLGYSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cnco1 ZINC000956119308 612723516 /nfs/dbraw/zinc/72/35/16/612723516.db2.gz OMJSDPFHCGBLNH-KBPBESRZSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cnco1 ZINC000956119308 612723519 /nfs/dbraw/zinc/72/35/19/612723519.db2.gz OMJSDPFHCGBLNH-KBPBESRZSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)sn2)C1 ZINC000954162049 612726023 /nfs/dbraw/zinc/72/60/23/612726023.db2.gz JLMOSJUVCIUSHU-HNNXBMFYSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)sn2)C1 ZINC000954162049 612726024 /nfs/dbraw/zinc/72/60/24/612726024.db2.gz JLMOSJUVCIUSHU-HNNXBMFYSA-N 1 1 346.456 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000954834818 612727930 /nfs/dbraw/zinc/72/79/30/612727930.db2.gz IKWUOYBDXZIQFK-HNNXBMFYSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]nc2C)C1 ZINC000954944278 612805987 /nfs/dbraw/zinc/80/59/87/612805987.db2.gz YMJYKVZXITXURM-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]nc2C)C1 ZINC000954944278 612805989 /nfs/dbraw/zinc/80/59/89/612805989.db2.gz YMJYKVZXITXURM-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000954317877 612846727 /nfs/dbraw/zinc/84/67/27/612846727.db2.gz BIXCDYCINKMAHJ-ZDUSSCGKSA-N 1 1 346.435 0.089 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954327280 612859120 /nfs/dbraw/zinc/85/91/20/612859120.db2.gz CYPFWYILJDXUMP-UHFFFAOYSA-N 1 1 326.360 0.374 20 30 ECEDMO Cc1nc(C#N)cnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738158 720745424 /nfs/dbraw/zinc/74/54/24/720745424.db2.gz DVMBJVYSQKMWFA-GJZGRUSLSA-N 1 1 337.387 0.789 20 30 ECEDMO N#Cc1ncc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1C#N ZINC001164738537 720774059 /nfs/dbraw/zinc/77/40/59/720774059.db2.gz FXVXRWSAIVGWDV-QWHCGFSZSA-N 1 1 348.370 0.352 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC001098215443 735294563 /nfs/dbraw/zinc/29/45/63/735294563.db2.gz NVAAFBWAFYLSSA-HIFRSBDPSA-N 1 1 346.435 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2nocc2C)CC1 ZINC000947229237 735339634 /nfs/dbraw/zinc/33/96/34/735339634.db2.gz ACCZOKVCEKPYOM-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2nocc2C)CC1 ZINC000947229237 735339639 /nfs/dbraw/zinc/33/96/39/735339639.db2.gz ACCZOKVCEKPYOM-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@]1(C)CCOC1 ZINC001078042203 782202792 /nfs/dbraw/zinc/20/27/92/782202792.db2.gz SVKIUSQTXHXYHG-MPGHIAIKSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@]1(C)CCOC1 ZINC001078042203 782202798 /nfs/dbraw/zinc/20/27/98/782202798.db2.gz SVKIUSQTXHXYHG-MPGHIAIKSA-N 1 1 335.448 0.522 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC001041786618 782204961 /nfs/dbraw/zinc/20/49/61/782204961.db2.gz VODQBURGFOKACP-QGZVFWFLSA-N 1 1 334.420 0.381 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001078048408 782212025 /nfs/dbraw/zinc/21/20/25/782212025.db2.gz OFIBMVUMPVXTTF-IAGOWNOFSA-N 1 1 331.416 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3csnn3)C2)C1=O ZINC000972025492 735522643 /nfs/dbraw/zinc/52/26/43/735522643.db2.gz SIIKOUSRRWZHBO-YPMHNXCESA-N 1 1 335.433 0.471 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](C)N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001104537408 738446586 /nfs/dbraw/zinc/44/65/86/738446586.db2.gz DROYBSJLJPHZNX-JSGCOSHPSA-N 1 1 346.435 0.500 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](C)N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001104537408 738446590 /nfs/dbraw/zinc/44/65/90/738446590.db2.gz DROYBSJLJPHZNX-JSGCOSHPSA-N 1 1 346.435 0.500 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CC(N)=O)C2)c1 ZINC001087346699 738510930 /nfs/dbraw/zinc/51/09/30/738510930.db2.gz QPVPDESHUXXXKI-ABHRYQDASA-N 1 1 327.388 0.154 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)nn1 ZINC001114941585 731475591 /nfs/dbraw/zinc/47/55/91/731475591.db2.gz DCQYVKGSJLUDSX-JYAVWHMHSA-N 1 1 346.435 0.039 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)nn1 ZINC001114941585 731475593 /nfs/dbraw/zinc/47/55/93/731475593.db2.gz DCQYVKGSJLUDSX-JYAVWHMHSA-N 1 1 346.435 0.039 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cnccn3)C2)C1=O ZINC000969233683 731629299 /nfs/dbraw/zinc/62/92/99/731629299.db2.gz PMXMNPFTIASPNY-DOMZBBRYSA-N 1 1 329.404 0.314 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)CCC2(C)CC2)CC1 ZINC001098521284 731640419 /nfs/dbraw/zinc/64/04/19/731640419.db2.gz ZUOHJMVYBYRCBZ-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@@H](n2ccnn2)C1 ZINC001069979518 790272644 /nfs/dbraw/zinc/27/26/44/790272644.db2.gz KQFHMVSZYZUQAT-DLTWYDFYSA-N 1 1 331.420 0.765 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@@H](n2ccnn2)C1 ZINC001069979518 790272649 /nfs/dbraw/zinc/27/26/49/790272649.db2.gz KQFHMVSZYZUQAT-DLTWYDFYSA-N 1 1 331.420 0.765 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001069980427 790273870 /nfs/dbraw/zinc/27/38/70/790273870.db2.gz VDYBOEOKMRWUGO-KGLIPLIRSA-N 1 1 349.826 0.577 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001041806162 782240009 /nfs/dbraw/zinc/24/00/09/782240009.db2.gz UXYPKPSVASVVDP-JKSUJKDBSA-N 1 1 339.461 0.016 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cn(C)cn3)C2)C1=O ZINC000969499753 731932573 /nfs/dbraw/zinc/93/25/73/731932573.db2.gz ARKWDYYTYBHCQP-DOMZBBRYSA-N 1 1 331.420 0.257 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC000969505727 731934676 /nfs/dbraw/zinc/93/46/76/731934676.db2.gz DKJKSMGCJRUTIW-GHMZBOCLSA-N 1 1 329.404 0.604 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969683845 732046124 /nfs/dbraw/zinc/04/61/24/732046124.db2.gz GELLGIUAHFNOPO-IMJJTQAJSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000973057376 738593480 /nfs/dbraw/zinc/59/34/80/738593480.db2.gz XBQXYQBXYACRSK-FPCVCCKLSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000973057376 738593482 /nfs/dbraw/zinc/59/34/82/738593482.db2.gz XBQXYQBXYACRSK-FPCVCCKLSA-N 1 1 333.432 0.417 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nncn2C)c1 ZINC001025077959 738610298 /nfs/dbraw/zinc/61/02/98/738610298.db2.gz HQOUBGDFAHXGLB-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2snnc2C)C1 ZINC000969865442 732461570 /nfs/dbraw/zinc/46/15/70/732461570.db2.gz OFAMZIUYMJGUCW-DOMZBBRYSA-N 1 1 347.488 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2snnc2C)C1 ZINC000969865442 732461573 /nfs/dbraw/zinc/46/15/73/732461573.db2.gz OFAMZIUYMJGUCW-DOMZBBRYSA-N 1 1 347.488 0.881 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)c1 ZINC000969887713 732483744 /nfs/dbraw/zinc/48/37/44/732483744.db2.gz DWEAWOWAGJSEII-SMDDNHRTSA-N 1 1 325.376 0.152 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3c(C)ncn3C)C2)C1=O ZINC000969895628 732489966 /nfs/dbraw/zinc/48/99/66/732489966.db2.gz BYLCOYJCHBMCAM-IUODEOHRSA-N 1 1 345.447 0.566 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)COCCCOC)CC1 ZINC001098526356 732524657 /nfs/dbraw/zinc/52/46/57/732524657.db2.gz HFPCPMHJCYHCPF-UHFFFAOYSA-N 1 1 326.437 0.348 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C(=O)N2CCC[C@@H]2CC)CC1 ZINC001098526445 732528903 /nfs/dbraw/zinc/52/89/03/732528903.db2.gz JMCJRRQJMBDTIQ-INIZCTEOSA-N 1 1 349.475 0.696 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001078082011 782273676 /nfs/dbraw/zinc/27/36/76/782273676.db2.gz AVTBIGLSAWZROF-ATZDWAIDSA-N 1 1 342.439 0.798 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(=O)cc3OC)[C@H]2C1 ZINC001083195294 732865828 /nfs/dbraw/zinc/86/58/28/732865828.db2.gz NCMBLTLYPWNZEU-DZGCQCFKSA-N 1 1 331.372 0.344 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1 ZINC001098528975 732910292 /nfs/dbraw/zinc/91/02/92/732910292.db2.gz SIQGDPGYLRBRIF-UHFFFAOYSA-N 1 1 335.448 0.163 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836127 782310734 /nfs/dbraw/zinc/31/07/34/782310734.db2.gz PHDVILQOIKSMTN-HIFRSBDPSA-N 1 1 327.450 0.179 20 30 ECEDMO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000969049024 733110192 /nfs/dbraw/zinc/11/01/92/733110192.db2.gz DDBJWYLCIBVUBB-CQSZACIVSA-N 1 1 348.447 0.635 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(CC)n3C)C2)nn1 ZINC000970205320 733198478 /nfs/dbraw/zinc/19/84/78/733198478.db2.gz GXMWUJOOCABKPA-GFCCVEGCSA-N 1 1 344.423 0.159 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nccc(C)n3)C2)nn1 ZINC000970228682 733226805 /nfs/dbraw/zinc/22/68/05/733226805.db2.gz WYAJVIZKYHCRBU-CQSZACIVSA-N 1 1 341.419 0.957 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970263790 733272527 /nfs/dbraw/zinc/27/25/27/733272527.db2.gz FLDYJFRNSWVTIJ-RHSMWYFYSA-N 1 1 325.412 0.611 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970265323 733274722 /nfs/dbraw/zinc/27/47/22/733274722.db2.gz PBQKHQMEPGUFTF-SUMWQHHRSA-N 1 1 343.402 0.750 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970271313 733286093 /nfs/dbraw/zinc/28/60/93/733286093.db2.gz NRSGQQXYCGBPEU-BLLLJJGKSA-N 1 1 341.415 0.518 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC001041850914 782336827 /nfs/dbraw/zinc/33/68/27/782336827.db2.gz RHOVMSGGBIUUHS-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2O)CC1 ZINC000970336604 733370031 /nfs/dbraw/zinc/37/00/31/733370031.db2.gz PGJWJOALHZYMDM-CVEARBPZSA-N 1 1 346.431 0.626 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2O)C1 ZINC000970399269 733470560 /nfs/dbraw/zinc/47/05/60/733470560.db2.gz XFZCQRVTIAKQBM-KFWWJZLASA-N 1 1 335.448 0.515 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2O)C1 ZINC000970399194 733470658 /nfs/dbraw/zinc/47/06/58/733470658.db2.gz WLIMMGHEEZHEIE-CFVMTHIKSA-N 1 1 335.448 0.372 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC000970400892 733471967 /nfs/dbraw/zinc/47/19/67/733471967.db2.gz HPKZGAPORNBQAU-QWHCGFSZSA-N 1 1 340.427 0.780 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC000970511651 733630558 /nfs/dbraw/zinc/63/05/58/733630558.db2.gz ODHPDVJFAZMJIP-CYBMUJFWSA-N 1 1 340.387 0.226 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)C(=O)NC)C2)cc1 ZINC000970539099 733658100 /nfs/dbraw/zinc/65/81/00/733658100.db2.gz YZJFVJDZWOMSEI-KGLIPLIRSA-N 1 1 343.427 0.883 20 30 ECEDMO C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111984036 738737566 /nfs/dbraw/zinc/73/75/66/738737566.db2.gz WJWGKIAHVQXVTL-VKJFTORMSA-N 1 1 334.464 0.211 20 30 ECEDMO C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111984036 738737567 /nfs/dbraw/zinc/73/75/67/738737567.db2.gz WJWGKIAHVQXVTL-VKJFTORMSA-N 1 1 334.464 0.211 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCCNC3=O)C2)nn1 ZINC000970552724 733668754 /nfs/dbraw/zinc/66/87/54/733668754.db2.gz PKTJOLYUXSMJAA-IUODEOHRSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCCNC3=O)C2)nn1 ZINC000970552726 733668879 /nfs/dbraw/zinc/66/88/79/733668879.db2.gz PKTJOLYUXSMJAA-WFASDCNBSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC000970601115 733724605 /nfs/dbraw/zinc/72/46/05/733724605.db2.gz VQCHSWPHJYWPOR-NHYWBVRUSA-N 1 1 345.447 0.864 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3nocc3C)C2)C1=O ZINC000970703946 733848829 /nfs/dbraw/zinc/84/88/29/733848829.db2.gz AEEMEWKMYUCMKP-OCCSQVGLSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cn(CC)cn3)C2)C1=O ZINC000970751741 733911769 /nfs/dbraw/zinc/91/17/69/733911769.db2.gz JGJYJYLMTINCBP-CJNGLKHVSA-N 1 1 345.447 0.740 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCCNC3=O)C2)nc1 ZINC000970762841 733920089 /nfs/dbraw/zinc/92/00/89/733920089.db2.gz GROOCBIWRKPHPP-LRDDRELGSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC000970767006 733925099 /nfs/dbraw/zinc/92/50/99/733925099.db2.gz OEOMEIQDVRBAQM-SUMWQHHRSA-N 1 1 340.427 0.734 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC001041881106 782383982 /nfs/dbraw/zinc/38/39/82/782383982.db2.gz SXODRTKCKIVQRL-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001078161229 782405025 /nfs/dbraw/zinc/40/50/25/782405025.db2.gz KFHQDWJNHLXCLC-HUUCEWRRSA-N 1 1 328.376 0.013 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cccn3C)C2)C1=O ZINC000971090358 734250134 /nfs/dbraw/zinc/25/01/34/734250134.db2.gz DBWJDORGVCQGLY-GDBMZVCRSA-N 1 1 330.432 0.958 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001211354833 734275311 /nfs/dbraw/zinc/27/53/11/734275311.db2.gz IHZODYCWESBYCR-CYBMUJFWSA-N 1 1 334.424 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC000971117147 734280077 /nfs/dbraw/zinc/28/00/77/734280077.db2.gz NTXYKEXCECXUHW-ZBFHGGJFSA-N 1 1 345.447 0.905 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000971117147 734280081 /nfs/dbraw/zinc/28/00/81/734280081.db2.gz NTXYKEXCECXUHW-ZBFHGGJFSA-N 1 1 345.447 0.905 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000971117147 734280083 /nfs/dbraw/zinc/28/00/83/734280083.db2.gz NTXYKEXCECXUHW-ZBFHGGJFSA-N 1 1 345.447 0.905 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)COCc2cccnc2)CC1 ZINC001098547609 734296279 /nfs/dbraw/zinc/29/62/79/734296279.db2.gz DCYQVZCKFHFPON-UHFFFAOYSA-N 1 1 331.416 0.517 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001161320221 734298480 /nfs/dbraw/zinc/29/84/80/734298480.db2.gz HSUOTVDOYJVXPT-ZDUSSCGKSA-N 1 1 329.466 0.639 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 ZINC001104323278 734302567 /nfs/dbraw/zinc/30/25/67/734302567.db2.gz MPIQBEQNHQTUBT-AWEZNQCLSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cc(C)cn3)C2)C1=O ZINC000971163148 734330120 /nfs/dbraw/zinc/33/01/20/734330120.db2.gz SYGFWAABMQXWKE-HOTGVXAUSA-N 1 1 345.447 0.511 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2nc(C)ccc2C#N)CCO1 ZINC001104327686 734341909 /nfs/dbraw/zinc/34/19/09/734341909.db2.gz AFWKYBHJIFELMN-MRXNPFEDSA-N 1 1 345.447 0.925 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104329204 734350634 /nfs/dbraw/zinc/35/06/34/734350634.db2.gz XYTYEQQNNQDTSM-INIZCTEOSA-N 1 1 331.420 0.616 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC000971334189 734452603 /nfs/dbraw/zinc/45/26/03/734452603.db2.gz MUSMWQBATRKBLC-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000971364243 734476651 /nfs/dbraw/zinc/47/66/51/734476651.db2.gz SCZFGOQAWRXVAL-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC000971380716 734491099 /nfs/dbraw/zinc/49/10/99/734491099.db2.gz UTVXCXAGWCYXKN-ZWKOTPCHSA-N 1 1 342.443 0.922 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000971380716 734491101 /nfs/dbraw/zinc/49/11/01/734491101.db2.gz UTVXCXAGWCYXKN-ZWKOTPCHSA-N 1 1 342.443 0.922 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2ccncc2C#N)CCO1 ZINC001104349845 734522385 /nfs/dbraw/zinc/52/23/85/734522385.db2.gz MHKLATYANZFLNF-GDBMZVCRSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H]1CN(c2ccncc2C#N)CCO1)C1CCC1 ZINC001104353186 734597272 /nfs/dbraw/zinc/59/72/72/734597272.db2.gz RAVJOTJYNSLRQG-INIZCTEOSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971453089 734607935 /nfs/dbraw/zinc/60/79/35/734607935.db2.gz YOMYUWXWQKLTDW-DZGCQCFKSA-N 1 1 346.362 0.838 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971453089 734607939 /nfs/dbraw/zinc/60/79/39/734607939.db2.gz YOMYUWXWQKLTDW-DZGCQCFKSA-N 1 1 346.362 0.838 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)n3C)CC2)C1 ZINC000949531864 734655739 /nfs/dbraw/zinc/65/57/39/734655739.db2.gz RPWHATWJTOJIFL-UHFFFAOYSA-N 1 1 346.431 0.054 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)n3C)CC2)C1 ZINC000949531864 734655743 /nfs/dbraw/zinc/65/57/43/734655743.db2.gz RPWHATWJTOJIFL-UHFFFAOYSA-N 1 1 346.431 0.054 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC000949534422 734680901 /nfs/dbraw/zinc/68/09/01/734680901.db2.gz XHUHCBYEIPBNEZ-MRXNPFEDSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC000949534422 734680902 /nfs/dbraw/zinc/68/09/02/734680902.db2.gz XHUHCBYEIPBNEZ-MRXNPFEDSA-N 1 1 335.448 0.877 20 30 ECEDMO C[N@@H+](CC[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971507526 734697814 /nfs/dbraw/zinc/69/78/14/734697814.db2.gz JFQUIFBKUARQMA-HOTGVXAUSA-N 1 1 338.473 0.757 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000971566895 734755007 /nfs/dbraw/zinc/75/50/07/734755007.db2.gz AKRBEACQXYGNRQ-UHOFOFEASA-N 1 1 341.415 0.653 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000971567691 734759573 /nfs/dbraw/zinc/75/95/73/734759573.db2.gz LZOBLFCUGHLIHE-VNQPRFMTSA-N 1 1 341.415 0.653 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001078187073 782456264 /nfs/dbraw/zinc/45/62/64/782456264.db2.gz SPMLHZIEOOGSLR-HUUCEWRRSA-N 1 1 326.356 0.134 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(C)nc1C ZINC001114988967 734946596 /nfs/dbraw/zinc/94/65/96/734946596.db2.gz NUWNVMAUVHTDAX-FOLVSLTJSA-N 1 1 329.404 0.056 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(C)nc1C ZINC001114988967 734946599 /nfs/dbraw/zinc/94/65/99/734946599.db2.gz NUWNVMAUVHTDAX-FOLVSLTJSA-N 1 1 329.404 0.056 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC000971686662 734951778 /nfs/dbraw/zinc/95/17/78/734951778.db2.gz DGWVXTNXSAMGHO-KGLIPLIRSA-N 1 1 344.415 0.626 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC000971739174 735008890 /nfs/dbraw/zinc/00/88/90/735008890.db2.gz JIGDCOBAQMLDIK-KGLIPLIRSA-N 1 1 345.403 0.115 20 30 ECEDMO C=C(Cl)CN1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001083224609 735070424 /nfs/dbraw/zinc/07/04/24/735070424.db2.gz ICSIZSCZKOYXEL-LSDHHAIUSA-N 1 1 343.855 0.373 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000973189511 738878605 /nfs/dbraw/zinc/87/86/05/738878605.db2.gz WORANCVXJJYOHX-DARAHFNDSA-N 1 1 343.431 0.994 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(NC(C)=O)c3)[C@H]2C1 ZINC001083226624 735147576 /nfs/dbraw/zinc/14/75/76/735147576.db2.gz OAMBYPLWQLNCEQ-JKSUJKDBSA-N 1 1 342.399 0.589 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(NC(C)=O)c3)[C@H]2C1 ZINC001083226624 735147577 /nfs/dbraw/zinc/14/75/77/735147577.db2.gz OAMBYPLWQLNCEQ-JKSUJKDBSA-N 1 1 342.399 0.589 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCn3ccnc3)C2)C1=O ZINC000972040943 735546807 /nfs/dbraw/zinc/54/68/07/735546807.db2.gz VOOVXBMQGCIHRR-CVEARBPZSA-N 1 1 345.447 0.593 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972081171 735620246 /nfs/dbraw/zinc/62/02/46/735620246.db2.gz ZQTDLBKFVLFCEQ-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972081171 735620248 /nfs/dbraw/zinc/62/02/48/735620248.db2.gz ZQTDLBKFVLFCEQ-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO CN1C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)NC1=O ZINC000972087176 735626762 /nfs/dbraw/zinc/62/67/62/735626762.db2.gz QKBAHSIJAUHENW-JKSUJKDBSA-N 1 1 341.415 0.615 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000972088590 735629700 /nfs/dbraw/zinc/62/97/00/735629700.db2.gz OIQABUHUMIOVDI-HZPDHXFCSA-N 1 1 326.400 0.664 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001078206038 782488361 /nfs/dbraw/zinc/48/83/61/782488361.db2.gz NBFFQVFYQCDFKM-ZIAGYGMSSA-N 1 1 333.436 0.363 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cncc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069988280 790282160 /nfs/dbraw/zinc/28/21/60/790282160.db2.gz PWIBCMAWRPSJAM-SJORKVTESA-N 1 1 338.415 0.589 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)/C=C\c2ccccc2C#N)CC1 ZINC000255504421 735753429 /nfs/dbraw/zinc/75/34/29/735753429.db2.gz KBRQYHAXZUOQEB-SREVYHEPSA-N 1 1 326.400 0.852 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972198153 735776184 /nfs/dbraw/zinc/77/61/84/735776184.db2.gz GNJIMYVXGGEOTI-MFKMUULPSA-N 1 1 333.417 0.334 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972225187 735812092 /nfs/dbraw/zinc/81/20/92/735812092.db2.gz XIOYWAAINWTSTQ-CQSZACIVSA-N 1 1 344.390 0.996 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972225187 735812097 /nfs/dbraw/zinc/81/20/97/735812097.db2.gz XIOYWAAINWTSTQ-CQSZACIVSA-N 1 1 344.390 0.996 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001058908808 751363526 /nfs/dbraw/zinc/36/35/26/751363526.db2.gz HMTDYHTWVNSMSX-ZFWWWQNUSA-N 1 1 347.394 0.826 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001058908808 751363531 /nfs/dbraw/zinc/36/35/31/751363531.db2.gz HMTDYHTWVNSMSX-ZFWWWQNUSA-N 1 1 347.394 0.826 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)C1=O ZINC000972271642 735869969 /nfs/dbraw/zinc/86/99/69/735869969.db2.gz LPNDJWJKJDLCNZ-DGCLKSJQSA-N 1 1 335.383 0.482 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)c1 ZINC000972284513 735888866 /nfs/dbraw/zinc/88/88/66/735888866.db2.gz LFZYWYMTXNSBCN-LSDHHAIUSA-N 1 1 340.383 0.014 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@H]2CCOC2)CCO3)[nH]1 ZINC000972340475 735968212 /nfs/dbraw/zinc/96/82/12/735968212.db2.gz XDLVFPBUMYHTBN-RDTXWAMCSA-N 1 1 344.415 0.840 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCCN(C)C3=O)[C@H]2C1 ZINC001083246844 735973042 /nfs/dbraw/zinc/97/30/42/735973042.db2.gz MSYIRXPIXJSCTF-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)[C@H]2C1 ZINC001083247123 735988096 /nfs/dbraw/zinc/98/80/96/735988096.db2.gz BKJBLSDMFVPWML-XOKHGSTOSA-N 1 1 328.416 0.450 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4n[nH]nc4C3)[C@H]2C1 ZINC001083247388 735989200 /nfs/dbraw/zinc/98/92/00/735989200.db2.gz NJEYLCNUMMZIOT-VBNZEHGJSA-N 1 1 331.420 0.397 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4[nH]nnc4C3)[C@H]2C1 ZINC001083247388 735989203 /nfs/dbraw/zinc/98/92/03/735989203.db2.gz NJEYLCNUMMZIOT-VBNZEHGJSA-N 1 1 331.420 0.397 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4[nH]nnc4C3)[C@H]2C1 ZINC001083247388 735989206 /nfs/dbraw/zinc/98/92/06/735989206.db2.gz NJEYLCNUMMZIOT-VBNZEHGJSA-N 1 1 331.420 0.397 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](OC)C(C)C ZINC001078213454 782505193 /nfs/dbraw/zinc/50/51/93/782505193.db2.gz PWTBOLSAFZYGFW-JYJNAYRXSA-N 1 1 337.464 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](OC)C(C)C ZINC001078213454 782505196 /nfs/dbraw/zinc/50/51/96/782505196.db2.gz PWTBOLSAFZYGFW-JYJNAYRXSA-N 1 1 337.464 0.766 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380871 736049724 /nfs/dbraw/zinc/04/97/24/736049724.db2.gz LBRDNJYRPSBYTH-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](C)Nc1ccnc(C#N)n1)CC2 ZINC001098220479 736080556 /nfs/dbraw/zinc/08/05/56/736080556.db2.gz KEPCULHDGAQLTF-DGCLKSJQSA-N 1 1 339.403 0.454 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001041966678 782508892 /nfs/dbraw/zinc/50/88/92/782508892.db2.gz RIWKYIIUSZUDDZ-LSDHHAIUSA-N 1 1 335.448 0.659 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001078219601 782511390 /nfs/dbraw/zinc/51/13/90/782511390.db2.gz HXTVDKBNRSLCIK-BZUAXINKSA-N 1 1 337.464 0.905 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cnccc3OC)C2)C1 ZINC000972428023 736174020 /nfs/dbraw/zinc/17/40/20/736174020.db2.gz FERJLQXPMVTVSU-LJQANCHMSA-N 1 1 343.427 0.959 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cnccc3OC)C2)C1 ZINC000972428023 736174023 /nfs/dbraw/zinc/17/40/23/736174023.db2.gz FERJLQXPMVTVSU-LJQANCHMSA-N 1 1 343.427 0.959 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC001098572673 736288705 /nfs/dbraw/zinc/28/87/05/736288705.db2.gz VCMVZLNDIMFLHE-UHFFFAOYSA-N 1 1 332.448 0.890 20 30 ECEDMO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3nnc[nH]3)C2)cc1C#N ZINC001022953721 736312661 /nfs/dbraw/zinc/31/26/61/736312661.db2.gz XWHMGVPKIDDWIJ-OKILXGFUSA-N 1 1 340.387 0.664 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 ZINC000972495158 736395549 /nfs/dbraw/zinc/39/55/49/736395549.db2.gz XUWZXSJYUWORNL-QAPCUYQASA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCCC3)C2)nn1 ZINC000972501264 736427899 /nfs/dbraw/zinc/42/78/99/736427899.db2.gz NXLHVEXYCKINMY-CQSZACIVSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCCC3)C2)nn1 ZINC000972501264 736427902 /nfs/dbraw/zinc/42/79/02/736427902.db2.gz NXLHVEXYCKINMY-CQSZACIVSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cnc(C)nc3)C2)nn1 ZINC000972507012 736457860 /nfs/dbraw/zinc/45/78/60/736457860.db2.gz PAWVRAGRPJSIOJ-HNNXBMFYSA-N 1 1 341.419 0.909 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cnc(C)nc3)C2)nn1 ZINC000972507012 736457865 /nfs/dbraw/zinc/45/78/65/736457865.db2.gz PAWVRAGRPJSIOJ-HNNXBMFYSA-N 1 1 341.419 0.909 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NCc3cc(C)n(C)n3)C2)CC1 ZINC001023128564 736524236 /nfs/dbraw/zinc/52/42/36/736524236.db2.gz KEKRNAGEWCOPRN-CALCHBBNSA-N 1 1 343.475 0.811 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)nn1 ZINC000972517293 736529190 /nfs/dbraw/zinc/52/91/90/736529190.db2.gz PEHARNGODKPOMS-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cncnc3)C2)C1 ZINC000972518110 736533448 /nfs/dbraw/zinc/53/34/48/736533448.db2.gz HREDPALZOHOCEN-QAPCUYQASA-N 1 1 328.416 0.907 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cncnc3)C2)C1 ZINC000972518110 736533449 /nfs/dbraw/zinc/53/34/49/736533449.db2.gz HREDPALZOHOCEN-QAPCUYQASA-N 1 1 328.416 0.907 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC000972527393 736583520 /nfs/dbraw/zinc/58/35/20/736583520.db2.gz UASJFPBWXZFMIK-PMPSAXMXSA-N 1 1 333.436 0.792 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000972547506 736672551 /nfs/dbraw/zinc/67/25/51/736672551.db2.gz BOVAERPNCHWSNV-ZWKOTPCHSA-N 1 1 335.448 0.782 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001023320210 736680131 /nfs/dbraw/zinc/68/01/31/736680131.db2.gz VUUJRGUTHNEXGE-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023320140 736680547 /nfs/dbraw/zinc/68/05/47/736680547.db2.gz SSJQMLKUDHIRLO-STQMWFEESA-N 1 1 343.431 0.995 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4nnn(C)c4c3)[C@H]2C1 ZINC001083260161 736697346 /nfs/dbraw/zinc/69/73/46/736697346.db2.gz NAUXILCYVNLUBQ-JKSUJKDBSA-N 1 1 327.388 0.680 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4nnn(C)c4c3)[C@H]2C1 ZINC001083260161 736697347 /nfs/dbraw/zinc/69/73/47/736697347.db2.gz NAUXILCYVNLUBQ-JKSUJKDBSA-N 1 1 327.388 0.680 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1COC(=O)N1 ZINC001023343949 736715328 /nfs/dbraw/zinc/71/53/28/736715328.db2.gz CIYLEHIAJNIZQD-DLBZAZTESA-N 1 1 341.411 0.975 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001023424124 736807281 /nfs/dbraw/zinc/80/72/81/736807281.db2.gz OLFFTBVGEYZWOB-HOTGVXAUSA-N 1 1 334.464 0.000 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972572686 736887808 /nfs/dbraw/zinc/88/78/08/736887808.db2.gz JVYMGJRZGXJABL-VQIMIIECSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972572686 736887813 /nfs/dbraw/zinc/88/78/13/736887813.db2.gz JVYMGJRZGXJABL-VQIMIIECSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCN1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000972574033 736895289 /nfs/dbraw/zinc/89/52/89/736895289.db2.gz WIJKOTUYBADVOA-SFHVURJKSA-N 1 1 330.432 0.943 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+]([C@@H](C)COC)CCO3)nn1 ZINC000972585385 736969923 /nfs/dbraw/zinc/96/99/23/736969923.db2.gz LVTRDLQUAOQAQV-YOEHRIQHSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+]([C@@H](C)COC)CCO3)nn1 ZINC000972585385 736969927 /nfs/dbraw/zinc/96/99/27/736969927.db2.gz LVTRDLQUAOQAQV-YOEHRIQHSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](CC2CC2)CCO3)nn1 ZINC000972586611 736977085 /nfs/dbraw/zinc/97/70/85/736977085.db2.gz ZMKRRWUKWPNREN-QGZVFWFLSA-N 1 1 331.420 0.791 20 30 ECEDMO CC#CCN1CCO[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972598833 737047607 /nfs/dbraw/zinc/04/76/07/737047607.db2.gz JVZLVBFRTAWDMA-GOSISDBHSA-N 1 1 335.448 0.035 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CCCO2)C1 ZINC001059847837 751387860 /nfs/dbraw/zinc/38/78/60/751387860.db2.gz WDTRXHDAMZMSQS-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CCCO2)C1 ZINC001059847837 751387867 /nfs/dbraw/zinc/38/78/67/751387867.db2.gz WDTRXHDAMZMSQS-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCN3CCOCC3)C2)C1 ZINC000972599464 737056856 /nfs/dbraw/zinc/05/68/56/737056856.db2.gz QOKOGGPNUGZECP-SFHVURJKSA-N 1 1 335.448 0.035 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCN3CCOCC3)C2)C1 ZINC000972599464 737056860 /nfs/dbraw/zinc/05/68/60/737056860.db2.gz QOKOGGPNUGZECP-SFHVURJKSA-N 1 1 335.448 0.035 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972600398 737059549 /nfs/dbraw/zinc/05/95/49/737059549.db2.gz ADDMZYDYWHRJKJ-KRWDZBQOSA-N 1 1 332.404 0.366 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972600398 737059552 /nfs/dbraw/zinc/05/95/52/737059552.db2.gz ADDMZYDYWHRJKJ-KRWDZBQOSA-N 1 1 332.404 0.366 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001023625951 737108800 /nfs/dbraw/zinc/10/88/00/737108800.db2.gz RFJNXKXUDRLHDU-CQSZACIVSA-N 1 1 326.462 0.663 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001023625951 737108802 /nfs/dbraw/zinc/10/88/02/737108802.db2.gz RFJNXKXUDRLHDU-CQSZACIVSA-N 1 1 326.462 0.663 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NC)C2)cc1 ZINC001023634759 737120102 /nfs/dbraw/zinc/12/01/02/737120102.db2.gz QMWRDAAVNTVXJW-HNNXBMFYSA-N 1 1 343.427 0.886 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCN(Cc3n[nH]c(C)n3)C2)nn1 ZINC001023637030 737122940 /nfs/dbraw/zinc/12/29/40/737122940.db2.gz BIEAWKQNAXXEKS-CYBMUJFWSA-N 1 1 344.423 0.533 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001023651137 737141952 /nfs/dbraw/zinc/14/19/52/737141952.db2.gz JJFCMIIMRYVYCR-CYBMUJFWSA-N 1 1 327.388 0.406 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972629436 737160205 /nfs/dbraw/zinc/16/02/05/737160205.db2.gz ZIFOWYDXJAVKNP-RBUKOAKNSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972629436 737160206 /nfs/dbraw/zinc/16/02/06/737160206.db2.gz ZIFOWYDXJAVKNP-RBUKOAKNSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972633198 737175440 /nfs/dbraw/zinc/17/54/40/737175440.db2.gz YSFGPEMTWSRNRB-SFHVURJKSA-N 1 1 347.415 0.556 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972633198 737175444 /nfs/dbraw/zinc/17/54/44/737175444.db2.gz YSFGPEMTWSRNRB-SFHVURJKSA-N 1 1 347.415 0.556 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC000972635060 737184119 /nfs/dbraw/zinc/18/41/19/737184119.db2.gz OVWHGKSPNIOCTM-QGZVFWFLSA-N 1 1 343.387 0.538 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC000972635060 737184121 /nfs/dbraw/zinc/18/41/21/737184121.db2.gz OVWHGKSPNIOCTM-QGZVFWFLSA-N 1 1 343.387 0.538 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 ZINC000972635571 737185307 /nfs/dbraw/zinc/18/53/07/737185307.db2.gz RVCDNMHZSOEJNW-IBGZPJMESA-N 1 1 342.443 0.849 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 ZINC000972635571 737185308 /nfs/dbraw/zinc/18/53/08/737185308.db2.gz RVCDNMHZSOEJNW-IBGZPJMESA-N 1 1 342.443 0.849 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001039667994 737252843 /nfs/dbraw/zinc/25/28/43/737252843.db2.gz LLPUGMGNKBWIBM-YJBOKZPZSA-N 1 1 335.448 0.067 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001023731709 737256369 /nfs/dbraw/zinc/25/63/69/737256369.db2.gz UTMSPVRRLBBNIK-CQSZACIVSA-N 1 1 326.404 0.898 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972655569 737265285 /nfs/dbraw/zinc/26/52/85/737265285.db2.gz NBZDZNNOHUHHJI-KRWDZBQOSA-N 1 1 332.404 0.369 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972655569 737265289 /nfs/dbraw/zinc/26/52/89/737265289.db2.gz NBZDZNNOHUHHJI-KRWDZBQOSA-N 1 1 332.404 0.369 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972678144 737363777 /nfs/dbraw/zinc/36/37/77/737363777.db2.gz ROENAIFERPEGPK-KRWDZBQOSA-N 1 1 348.403 0.801 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972688102 737380588 /nfs/dbraw/zinc/38/05/88/737380588.db2.gz MGEAJKGCITZEBW-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972688102 737380592 /nfs/dbraw/zinc/38/05/92/737380592.db2.gz MGEAJKGCITZEBW-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cn(CC)cn3)C2)C1=O ZINC000972740779 737580244 /nfs/dbraw/zinc/58/02/44/737580244.db2.gz SUKKHVORUFSUSQ-GDBMZVCRSA-N 1 1 345.447 0.836 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972793650 737684620 /nfs/dbraw/zinc/68/46/20/737684620.db2.gz JZGKDWXRNFCUDZ-HNNXBMFYSA-N 1 1 339.403 0.572 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)C1 ZINC001024150488 737767231 /nfs/dbraw/zinc/76/72/31/737767231.db2.gz SSANXMHZXGYADP-BRWVUGGUSA-N 1 1 347.459 0.066 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001024268482 737864556 /nfs/dbraw/zinc/86/45/56/737864556.db2.gz VUXWSXKEOVPKJR-IAGOWNOFSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](CNCc3cnon3)C2)CC1 ZINC001024277910 737878159 /nfs/dbraw/zinc/87/81/59/737878159.db2.gz WOAGJWFYVWILNV-HNNXBMFYSA-N 1 1 345.447 0.743 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cn[nH]c2)C1=O ZINC001024341926 737909693 /nfs/dbraw/zinc/90/96/93/737909693.db2.gz NJLSNKJPDWBKDW-HUUCEWRRSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cn[nH]c2)C1=O ZINC001024341926 737909695 /nfs/dbraw/zinc/90/96/95/737909695.db2.gz NJLSNKJPDWBKDW-HUUCEWRRSA-N 1 1 331.420 0.781 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001024466568 737997791 /nfs/dbraw/zinc/99/77/91/737997791.db2.gz BULARUOISQUXGS-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)c2[nH]cnc2C)CC1 ZINC001098586538 738009420 /nfs/dbraw/zinc/00/94/20/738009420.db2.gz IFNFBKZDJYBHGN-UHFFFAOYSA-N 1 1 334.420 0.267 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ncnn1C ZINC001024487097 738014393 /nfs/dbraw/zinc/01/43/93/738014393.db2.gz LYESDNMOWPOFFQ-CVEARBPZSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ncnn1C ZINC001024487097 738014397 /nfs/dbraw/zinc/01/43/97/738014397.db2.gz LYESDNMOWPOFFQ-CVEARBPZSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001024530317 738064925 /nfs/dbraw/zinc/06/49/25/738064925.db2.gz FLZZHBWOEQSACL-CYBMUJFWSA-N 1 1 328.372 0.630 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001024530317 738064928 /nfs/dbraw/zinc/06/49/28/738064928.db2.gz FLZZHBWOEQSACL-CYBMUJFWSA-N 1 1 328.372 0.630 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]2CCC[N@@H+](CC(N)=O)[C@@H]21 ZINC001087282430 738099211 /nfs/dbraw/zinc/09/92/11/738099211.db2.gz YORZDPAIIYXMQP-DFBGVHRSSA-N 1 1 329.404 0.590 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001024575440 738122671 /nfs/dbraw/zinc/12/26/71/738122671.db2.gz JUQQOUYTZFHSMX-CQSZACIVSA-N 1 1 341.415 0.939 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001024581744 738128635 /nfs/dbraw/zinc/12/86/35/738128635.db2.gz MVPMYFGEEGQZBI-ZDUSSCGKSA-N 1 1 342.407 0.301 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@H]21 ZINC001087298769 738159486 /nfs/dbraw/zinc/15/94/86/738159486.db2.gz KRZWTQYKQIRSHU-JLSDUUJJSA-N 1 1 348.491 0.600 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C(C)(C)[C@H]21 ZINC001087310040 738243640 /nfs/dbraw/zinc/24/36/40/738243640.db2.gz PWBNTPFIRACXIB-XYPHTWIQSA-N 1 1 345.443 0.668 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ccncn2)C1=O ZINC001024718260 738247302 /nfs/dbraw/zinc/24/73/02/738247302.db2.gz OHNLYMKUFWXZID-HOCLYGCPSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ccncn2)C1=O ZINC001024718260 738247303 /nfs/dbraw/zinc/24/73/03/738247303.db2.gz OHNLYMKUFWXZID-HOCLYGCPSA-N 1 1 343.431 0.848 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC(N)=O)[C@@H]3C2(C)C)nc1 ZINC001087315193 738263114 /nfs/dbraw/zinc/26/31/14/738263114.db2.gz XPCISTNPTHHQFC-XKQJLSEDSA-N 1 1 340.427 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CC(N)=O)[C@@H]3C2(C)C)nc1 ZINC001087315193 738263116 /nfs/dbraw/zinc/26/31/16/738263116.db2.gz XPCISTNPTHHQFC-XKQJLSEDSA-N 1 1 340.427 0.767 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@H]21 ZINC001087318579 738284865 /nfs/dbraw/zinc/28/48/65/738284865.db2.gz ZRCIRQLWMVSNIH-KCXAZCMYSA-N 1 1 346.431 0.167 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)Nc3cc(C)on3)[C@H]2C1 ZINC001083273273 738366202 /nfs/dbraw/zinc/36/62/02/738366202.db2.gz JSESNSICSOZHPG-QWHCGFSZSA-N 1 1 334.376 0.409 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)[C@H]2C1 ZINC001083273302 738366500 /nfs/dbraw/zinc/36/65/00/738366500.db2.gz KZNJHRUHWLYUMN-JKSUJKDBSA-N 1 1 344.415 0.276 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 ZINC001025246330 738920699 /nfs/dbraw/zinc/92/06/99/738920699.db2.gz VSLWBZABGPJKEC-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001025247111 738921520 /nfs/dbraw/zinc/92/15/20/738921520.db2.gz IQXSSLDUQNGKGV-LSDHHAIUSA-N 1 1 346.431 0.980 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001025280574 739002415 /nfs/dbraw/zinc/00/24/15/739002415.db2.gz PRQMNGDNUNEFHQ-JKSUJKDBSA-N 1 1 330.436 0.932 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001025281931 739004544 /nfs/dbraw/zinc/00/45/44/739004544.db2.gz XKYVPDDXOHLBTI-JKSUJKDBSA-N 1 1 330.436 0.932 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1nccnc1C(N)=O ZINC001025296876 739018285 /nfs/dbraw/zinc/01/82/85/739018285.db2.gz LXIJBSCTUBXGJO-KGLIPLIRSA-N 1 1 341.415 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2ccco2)C1 ZINC000973410866 739225073 /nfs/dbraw/zinc/22/50/73/739225073.db2.gz ZTOVDZFJZHEPOF-DZKIICNBSA-N 1 1 329.400 0.683 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2ccco2)C1 ZINC000973410866 739225075 /nfs/dbraw/zinc/22/50/75/739225075.db2.gz ZTOVDZFJZHEPOF-DZKIICNBSA-N 1 1 329.400 0.683 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001028196323 751445952 /nfs/dbraw/zinc/44/59/52/751445952.db2.gz IJHITIUZSUVCII-UIORMTCPSA-N 1 1 334.420 0.521 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nc1 ZINC000973485475 739379970 /nfs/dbraw/zinc/37/99/70/739379970.db2.gz ZTXUYQWYSRWLSI-FVQBIDKESA-N 1 1 340.427 0.924 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001025457376 739561480 /nfs/dbraw/zinc/56/14/80/739561480.db2.gz BQUXATWLYWBUJG-VXGBXAGGSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001025471894 739615798 /nfs/dbraw/zinc/61/57/98/739615798.db2.gz JXHXAKJIUCTDSE-CHWSQXEVSA-N 1 1 342.399 0.876 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nncn4C3)[C@H]2C1 ZINC001083282496 739648863 /nfs/dbraw/zinc/64/88/63/739648863.db2.gz GWNZHPAKNKINQK-SOUVJXGZSA-N 1 1 331.420 0.328 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2O)C1 ZINC001025522515 739684923 /nfs/dbraw/zinc/68/49/23/739684923.db2.gz XONKFOOVRLZIHX-RBSFLKMASA-N 1 1 335.448 0.515 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001025544826 739705878 /nfs/dbraw/zinc/70/58/78/739705878.db2.gz CCRSUYSNCHYFCE-KBPBESRZSA-N 1 1 348.447 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001025592459 739753432 /nfs/dbraw/zinc/75/34/32/739753432.db2.gz ORYDRYPFYKXEBL-MNOVXSKESA-N 1 1 334.376 0.360 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001025593785 739757569 /nfs/dbraw/zinc/75/75/69/739757569.db2.gz CQGYSZPXMNCLMX-HIFRSBDPSA-N 1 1 328.416 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001006527051 751482664 /nfs/dbraw/zinc/48/26/64/751482664.db2.gz BDFVCGWIFWVYPG-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO CC(C)c1[nH+]ccn1CCC(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058657439 739843862 /nfs/dbraw/zinc/84/38/62/739843862.db2.gz ZGKYRMXTURMFJE-CQSZACIVSA-N 1 1 349.435 0.493 20 30 ECEDMO COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001025704782 739881687 /nfs/dbraw/zinc/88/16/87/739881687.db2.gz CNKOUYABFWZJCT-SEBNEYGDSA-N 1 1 345.424 0.975 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC2)C[C@H]1C(F)(F)F ZINC001112032630 739940111 /nfs/dbraw/zinc/94/01/11/739940111.db2.gz TZGCCLZOHFDFOV-MVWJERBFSA-N 1 1 331.338 0.513 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025775290 739943363 /nfs/dbraw/zinc/94/33/63/739943363.db2.gz LZAJDOYGHSGUFY-LJIZCISZSA-N 1 1 326.356 0.770 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025775290 739943368 /nfs/dbraw/zinc/94/33/68/739943368.db2.gz LZAJDOYGHSGUFY-LJIZCISZSA-N 1 1 326.356 0.770 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025775290 739943373 /nfs/dbraw/zinc/94/33/73/739943373.db2.gz LZAJDOYGHSGUFY-LJIZCISZSA-N 1 1 326.356 0.770 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3nncn3C)C[C@H]21 ZINC001025814038 739996376 /nfs/dbraw/zinc/99/63/76/739996376.db2.gz GSZMHKRDJVBHIC-ARKGTOAJSA-N 1 1 342.447 0.020 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3nncn3C)C[C@H]21 ZINC001025814038 739996377 /nfs/dbraw/zinc/99/63/77/739996377.db2.gz GSZMHKRDJVBHIC-ARKGTOAJSA-N 1 1 342.447 0.020 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccncn2)C1=O ZINC001028212662 751514133 /nfs/dbraw/zinc/51/41/33/751514133.db2.gz DBXWMMKUIKERGN-ZFWWWQNUSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccncn2)C1=O ZINC001028212662 751514136 /nfs/dbraw/zinc/51/41/36/751514136.db2.gz DBXWMMKUIKERGN-ZFWWWQNUSA-N 1 1 329.404 0.458 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)C[N@H+]1CCC[C@H]1C)CCO2 ZINC001068464176 790321665 /nfs/dbraw/zinc/32/16/65/790321665.db2.gz ZWQPYNRRXKAANE-MRXNPFEDSA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000988091045 751520474 /nfs/dbraw/zinc/52/04/74/751520474.db2.gz LZGIDHDXVIYFEZ-XBFCOCLRSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083287842 740294694 /nfs/dbraw/zinc/29/46/94/740294694.db2.gz BBQZJDZXXSSBFV-DLBZAZTESA-N 1 1 343.427 0.816 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@]2(C)CCOC2)C1=O ZINC001026124207 740392624 /nfs/dbraw/zinc/39/26/24/740392624.db2.gz WWWNNPJDDGMPTQ-JSEZXORMSA-N 1 1 333.432 0.246 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CCC[N@@H+]([C@H](C)C(N)=O)C3)nn1 ZINC000982061091 751541941 /nfs/dbraw/zinc/54/19/41/751541941.db2.gz KRYGZNTXGRCTKT-CYBMUJFWSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CCC[N@H+]([C@H](C)C(N)=O)C3)nn1 ZINC000982061091 751541943 /nfs/dbraw/zinc/54/19/43/751541943.db2.gz KRYGZNTXGRCTKT-CYBMUJFWSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=COCCC2)C1 ZINC000973942563 740638730 /nfs/dbraw/zinc/63/87/30/740638730.db2.gz PXZUQSZOHFFTLG-XHSDSOJGSA-N 1 1 331.416 0.542 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=COCCC2)C1 ZINC000973942563 740638731 /nfs/dbraw/zinc/63/87/31/740638731.db2.gz PXZUQSZOHFFTLG-XHSDSOJGSA-N 1 1 331.416 0.542 20 30 ECEDMO CN(CCCN(C)c1ncc(C#N)cc1F)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001112055842 740671984 /nfs/dbraw/zinc/67/19/84/740671984.db2.gz VVNZQPSAMGSTAR-OAHLLOKOSA-N 1 1 349.410 0.708 20 30 ECEDMO CN(CCCN(C)c1ncc(C#N)cc1F)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001112055842 740671986 /nfs/dbraw/zinc/67/19/86/740671986.db2.gz VVNZQPSAMGSTAR-OAHLLOKOSA-N 1 1 349.410 0.708 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccnc(C#N)n1 ZINC001104854137 740723274 /nfs/dbraw/zinc/72/32/74/740723274.db2.gz AIAGDKAKBCLKFW-ZIAGYGMSSA-N 1 1 330.436 0.903 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCNC2=O)c1 ZINC001038361411 740723399 /nfs/dbraw/zinc/72/33/99/740723399.db2.gz RQQZKMDYRMDXFW-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCNC2=O)c1 ZINC001038361411 740723402 /nfs/dbraw/zinc/72/34/02/740723402.db2.gz RQQZKMDYRMDXFW-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001059856841 751573519 /nfs/dbraw/zinc/57/35/19/751573519.db2.gz ANBDQKWWOLMIFK-XFMPKHEZSA-N 1 1 342.403 0.271 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974042122 740831755 /nfs/dbraw/zinc/83/17/55/740831755.db2.gz YREISBZGISUXMM-RUZUBIRVSA-N 1 1 329.404 0.461 20 30 ECEDMO CC(C)C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104926506 740949154 /nfs/dbraw/zinc/94/91/54/740949154.db2.gz UQDMBJGYILOBET-ZFWWWQNUSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104926506 740949156 /nfs/dbraw/zinc/94/91/56/740949156.db2.gz UQDMBJGYILOBET-ZFWWWQNUSA-N 1 1 346.435 0.622 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C(N)=O)ccn3)[C@H]2C1 ZINC001083294840 741023930 /nfs/dbraw/zinc/02/39/30/741023930.db2.gz XDVQRVPJEBZZID-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC000982107326 751599610 /nfs/dbraw/zinc/59/96/10/751599610.db2.gz HBPVHEJCRKFFKE-OAHLLOKOSA-N 1 1 343.431 0.801 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)cn1 ZINC001087405098 741103304 /nfs/dbraw/zinc/10/33/04/741103304.db2.gz DHXFJPGKBAUYEW-RANZSIQMSA-N 1 1 325.412 0.838 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[N@@H+]([C@H]3CCCN(C)C3=O)CC2)nn1 ZINC000982114238 751607056 /nfs/dbraw/zinc/60/70/56/751607056.db2.gz YZWVBBQYHRKZLC-HNNXBMFYSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[N@H+]([C@H]3CCCN(C)C3=O)CC2)nn1 ZINC000982114238 751607063 /nfs/dbraw/zinc/60/70/63/751607063.db2.gz YZWVBBQYHRKZLC-HNNXBMFYSA-N 1 1 346.435 0.233 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC000974251442 741178810 /nfs/dbraw/zinc/17/88/10/741178810.db2.gz HAPUDVFIGWLHFH-RQJABVFESA-N 1 1 339.386 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC000974251442 741178811 /nfs/dbraw/zinc/17/88/11/741178811.db2.gz HAPUDVFIGWLHFH-RQJABVFESA-N 1 1 339.386 0.893 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)O)C2)CC1 ZINC001105062575 741267938 /nfs/dbraw/zinc/26/79/38/741267938.db2.gz YIZJIACEHYKSRN-JFIYKMOQSA-N 1 1 335.492 0.787 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)c1 ZINC000974314405 741297366 /nfs/dbraw/zinc/29/73/66/741297366.db2.gz AKMLYNIESDLTGQ-IYBDPMFKSA-N 1 1 337.383 0.645 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(CC)n3)[C@H]2C)C1=O ZINC001088555550 751626766 /nfs/dbraw/zinc/62/67/66/751626766.db2.gz LVYDURNPWFZXOI-IPYPFGDCSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CC)n3)[C@H]2C)C1=O ZINC001088555550 751626771 /nfs/dbraw/zinc/62/67/71/751626771.db2.gz LVYDURNPWFZXOI-IPYPFGDCSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)CCOC)C1 ZINC001111791065 741347271 /nfs/dbraw/zinc/34/72/71/741347271.db2.gz FIZIZZQZCWMBTF-HOCLYGCPSA-N 1 1 344.477 0.594 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3ccco3)C2)nn1 ZINC001105136952 741409158 /nfs/dbraw/zinc/40/91/58/741409158.db2.gz NWCQCJAXGDMACJ-UHFFFAOYSA-N 1 1 331.376 0.860 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3cccnc3)C2)nn1 ZINC001105136980 741409226 /nfs/dbraw/zinc/40/92/26/741409226.db2.gz PEPRYVWIMKJATC-UHFFFAOYSA-N 1 1 342.403 0.662 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)CCSC)C2)nn1 ZINC001105157387 741425669 /nfs/dbraw/zinc/42/56/69/741425669.db2.gz JIIHSXMVZWAUNC-UHFFFAOYSA-N 1 1 339.465 0.707 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC000982144140 751642107 /nfs/dbraw/zinc/64/21/07/751642107.db2.gz ZFDSJWLHOKOTTO-UHFFFAOYSA-N 1 1 327.388 0.137 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCNC2=O)cc1 ZINC001038371499 741499990 /nfs/dbraw/zinc/49/99/90/741499990.db2.gz KDIKPQVPIAAKAY-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCNC2=O)cc1 ZINC001038371499 741499992 /nfs/dbraw/zinc/49/99/92/741499992.db2.gz KDIKPQVPIAAKAY-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CCCCC(=O)N1CC(n2cc(C[NH2+]CCOCC=C)nn2)C1 ZINC001105224828 741505514 /nfs/dbraw/zinc/50/55/14/741505514.db2.gz FCQUHTBSMOFGSI-UHFFFAOYSA-N 1 1 331.420 0.757 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001105227415 741508631 /nfs/dbraw/zinc/50/86/31/741508631.db2.gz IWEVEASSWKAACF-MLGOLLRUSA-N 1 1 337.424 0.113 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240213 741530421 /nfs/dbraw/zinc/53/04/21/741530421.db2.gz CXTVCYCTHFVFEX-INIZCTEOSA-N 1 1 332.452 0.810 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CO[C@H]3CCOC3)C2)nn1 ZINC001105238407 741532791 /nfs/dbraw/zinc/53/27/91/741532791.db2.gz YKEXHWSSIOBVQY-HNNXBMFYSA-N 1 1 335.408 0.133 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105259795 741586536 /nfs/dbraw/zinc/58/65/36/741586536.db2.gz MVEGPXBBQKBBBJ-MRXNPFEDSA-N 1 1 344.463 0.647 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCCC2=O)C1 ZINC001111796889 741643268 /nfs/dbraw/zinc/64/32/68/741643268.db2.gz MWDCJFRSLOXOAL-LPHOPBHVSA-N 1 1 347.459 0.619 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)CN3CCOCC3)C2)C1 ZINC000982150607 751656178 /nfs/dbraw/zinc/65/61/78/751656178.db2.gz MBCKVODQOYRFJL-KRWDZBQOSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)CN3CCOCC3)C2)C1 ZINC000982150607 751656180 /nfs/dbraw/zinc/65/61/80/751656180.db2.gz MBCKVODQOYRFJL-KRWDZBQOSA-N 1 1 333.476 0.902 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OCC)[C@H]3CCOC3)C2)nn1 ZINC001105292254 741655675 /nfs/dbraw/zinc/65/56/75/741655675.db2.gz HHUOWKXOWUTMGC-BBRMVZONSA-N 1 1 349.435 0.379 20 30 ECEDMO C#CCCCCCC(=O)N1CC(n2cc(C[NH2+]CCOC)nn2)C1 ZINC001105301350 741685643 /nfs/dbraw/zinc/68/56/43/741685643.db2.gz MUNRFGIMNOFMMB-UHFFFAOYSA-N 1 1 333.436 0.981 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001058728343 741691468 /nfs/dbraw/zinc/69/14/68/741691468.db2.gz QDYVQOUOFQOZFO-KRWDZBQOSA-N 1 1 327.469 0.868 20 30 ECEDMO O=C(C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F)NC1CC1 ZINC001112097768 741694925 /nfs/dbraw/zinc/69/49/25/741694925.db2.gz LTJNWQLBDNGVFQ-CHWSQXEVSA-N 1 1 343.349 0.657 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)s1 ZINC001006682111 751664996 /nfs/dbraw/zinc/66/49/96/751664996.db2.gz GUJNXTGRVWUAMW-LLVKDONJSA-N 1 1 331.405 0.387 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)s1 ZINC001006682111 751665000 /nfs/dbraw/zinc/66/50/00/751665000.db2.gz GUJNXTGRVWUAMW-LLVKDONJSA-N 1 1 331.405 0.387 20 30 ECEDMO CN(C)c1noc(C[NH2+]C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001026759692 741776307 /nfs/dbraw/zinc/77/63/07/741776307.db2.gz MGYUCDFKYQLEGL-LLVKDONJSA-N 1 1 343.391 0.587 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cncnc3)C(C)(C)C2)C1=O ZINC000974493253 741806195 /nfs/dbraw/zinc/80/61/95/741806195.db2.gz TXHZOJGLNGUWHE-LSDHHAIUSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cncnc3)C(C)(C)C2)C1=O ZINC000974493253 741806200 /nfs/dbraw/zinc/80/62/00/741806200.db2.gz TXHZOJGLNGUWHE-LSDHHAIUSA-N 1 1 343.431 0.704 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC000982179008 751678772 /nfs/dbraw/zinc/67/87/72/751678772.db2.gz LNBIKECQDCRLCO-XHSDSOJGSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC000982179008 751678774 /nfs/dbraw/zinc/67/87/74/751678774.db2.gz LNBIKECQDCRLCO-XHSDSOJGSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C(C)(C)C1 ZINC000974688063 742006294 /nfs/dbraw/zinc/00/62/94/742006294.db2.gz HBTLLYLBFKRDRJ-CVEARBPZSA-N 1 1 325.412 0.973 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC(=O)N2CCC2)CC1(C)C ZINC000974707368 742066055 /nfs/dbraw/zinc/06/60/55/742066055.db2.gz YIYJVEUWMNCODO-HOTGVXAUSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CC(=O)N2CCC2)CC1(C)C ZINC000974707368 742066060 /nfs/dbraw/zinc/06/60/60/742066060.db2.gz YIYJVEUWMNCODO-HOTGVXAUSA-N 1 1 346.475 0.143 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000974728510 742111926 /nfs/dbraw/zinc/11/19/26/742111926.db2.gz PJHSGQDGFDEOMV-KFWWJZLASA-N 1 1 335.448 0.589 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000974728510 742111927 /nfs/dbraw/zinc/11/19/27/742111927.db2.gz PJHSGQDGFDEOMV-KFWWJZLASA-N 1 1 335.448 0.589 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974743983 742129040 /nfs/dbraw/zinc/12/90/40/742129040.db2.gz SMXVOKGNQMXDEI-CHWSQXEVSA-N 1 1 333.436 0.949 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000974853738 742262237 /nfs/dbraw/zinc/26/22/37/742262237.db2.gz AQHPKCOUMWOGNH-CQSZACIVSA-N 1 1 325.376 0.131 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000974853738 742262239 /nfs/dbraw/zinc/26/22/39/742262239.db2.gz AQHPKCOUMWOGNH-CQSZACIVSA-N 1 1 325.376 0.131 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC(C)(F)F ZINC001058745135 742273607 /nfs/dbraw/zinc/27/36/07/742273607.db2.gz CBWVYKXZRGSNDZ-ZDUSSCGKSA-N 1 1 345.390 0.066 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC(C)(F)F ZINC001058745135 742273614 /nfs/dbraw/zinc/27/36/14/742273614.db2.gz CBWVYKXZRGSNDZ-ZDUSSCGKSA-N 1 1 345.390 0.066 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC2(C)C)n1 ZINC000974952454 742388633 /nfs/dbraw/zinc/38/86/33/742388633.db2.gz WRDDFBMJKFDBGP-CQSZACIVSA-N 1 1 339.403 0.722 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC2(C)C)n1 ZINC000974952454 742388640 /nfs/dbraw/zinc/38/86/40/742388640.db2.gz WRDDFBMJKFDBGP-CQSZACIVSA-N 1 1 339.403 0.722 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC2(C)C)n1 ZINC000974953212 742389086 /nfs/dbraw/zinc/38/90/86/742389086.db2.gz YCSBIQMHPJRLQZ-CQSZACIVSA-N 1 1 339.403 0.722 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC2(C)C)n1 ZINC000974953212 742389092 /nfs/dbraw/zinc/38/90/92/742389092.db2.gz YCSBIQMHPJRLQZ-CQSZACIVSA-N 1 1 339.403 0.722 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C(C)(C)C1 ZINC000975022933 742441544 /nfs/dbraw/zinc/44/15/44/742441544.db2.gz WVACEXDNUKXQOR-LLVKDONJSA-N 1 1 341.437 0.073 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCCNC3=O)CC2(C)C)c1 ZINC000975012392 742446259 /nfs/dbraw/zinc/44/62/59/742446259.db2.gz QGHHVECTXGBPHH-CVEARBPZSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC2(C)C)c1 ZINC000975012392 742446261 /nfs/dbraw/zinc/44/62/61/742446261.db2.gz QGHHVECTXGBPHH-CVEARBPZSA-N 1 1 340.427 0.782 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OCCOC)C2)nn1 ZINC001105337295 742458729 /nfs/dbraw/zinc/45/87/29/742458729.db2.gz YVHTWHDEYKSHDA-CYBMUJFWSA-N 1 1 337.424 0.379 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000975116920 742498906 /nfs/dbraw/zinc/49/89/06/742498906.db2.gz BYOPMQCDWDVPLW-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000975116920 742498908 /nfs/dbraw/zinc/49/89/08/742498908.db2.gz BYOPMQCDWDVPLW-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000975114160 742511333 /nfs/dbraw/zinc/51/13/33/742511333.db2.gz OGIRQXJRSILHAL-AWEZNQCLSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)C2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000975114160 742511337 /nfs/dbraw/zinc/51/13/37/742511337.db2.gz OGIRQXJRSILHAL-AWEZNQCLSA-N 1 1 326.462 0.661 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001027114088 742587861 /nfs/dbraw/zinc/58/78/61/742587861.db2.gz PBUCFFDBJMNRHQ-DZKIICNBSA-N 1 1 348.451 0.520 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(C)c2ccccc2n1 ZINC001125982015 742675227 /nfs/dbraw/zinc/67/52/27/742675227.db2.gz OWGUHWBCNXLNFD-UHFFFAOYSA-N 1 1 339.399 0.284 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000975281962 742690984 /nfs/dbraw/zinc/69/09/84/742690984.db2.gz OIXYRZAIARCVSY-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]1(C)C[N@H+]([C@@H]1CCNC1=O)C2 ZINC000982250408 751762317 /nfs/dbraw/zinc/76/23/17/751762317.db2.gz QMSFENUOHGEDIV-OLMNPRSZSA-N 1 1 341.415 0.559 20 30 ECEDMO C=CCC[NH+]1CCN(C2CCC(NC(=O)[C@H]3CCNC3=O)CC2)CC1 ZINC000996782569 742854209 /nfs/dbraw/zinc/85/42/09/742854209.db2.gz MRNHBTLXEWZJHE-JCYILVPMSA-N 1 1 348.491 0.744 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CN(C(=O)C3(F)CCOCC3)C[C@]2(C)C1 ZINC001101260563 742889651 /nfs/dbraw/zinc/88/96/51/742889651.db2.gz AWXQRKXYIXVDLF-WBVHZDCISA-N 1 1 338.423 0.935 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)nc1 ZINC001028939468 742929476 /nfs/dbraw/zinc/92/94/76/742929476.db2.gz OJTXGXMMQOHCBY-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC001028940958 742938993 /nfs/dbraw/zinc/93/89/93/742938993.db2.gz RXCRTCPWRZBKGX-ZDUSSCGKSA-N 1 1 326.400 0.393 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1 ZINC000982256482 751779620 /nfs/dbraw/zinc/77/96/20/751779620.db2.gz XNCAUHVSDZGQDW-UYHISHBKSA-N 1 1 343.431 0.805 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4COC(=O)N4)[C@@H]3C2)s1 ZINC001075752481 743103405 /nfs/dbraw/zinc/10/34/05/743103405.db2.gz CEOUMUJDPGHMQT-ZLKJLUDKSA-N 1 1 346.412 0.761 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4COC(=O)N4)[C@@H]3C2)s1 ZINC001075752481 743103408 /nfs/dbraw/zinc/10/34/08/743103408.db2.gz CEOUMUJDPGHMQT-ZLKJLUDKSA-N 1 1 346.412 0.761 20 30 ECEDMO O=C([C@@H]1COC(=O)N1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075752581 743108355 /nfs/dbraw/zinc/10/83/55/743108355.db2.gz GWILCNZXHFQRGW-YESZJQIVSA-N 1 1 339.395 0.679 20 30 ECEDMO O=C([C@@H]1COC(=O)N1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075752581 743108361 /nfs/dbraw/zinc/10/83/61/743108361.db2.gz GWILCNZXHFQRGW-YESZJQIVSA-N 1 1 339.395 0.679 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000997087360 743215243 /nfs/dbraw/zinc/21/52/43/743215243.db2.gz IPKFMRGEOXJPHV-MRXNPFEDSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc1 ZINC000997093644 743226626 /nfs/dbraw/zinc/22/66/26/743226626.db2.gz QNAAKZWLYXBTBV-OKILXGFUSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC000997102386 743237954 /nfs/dbraw/zinc/23/79/54/743237954.db2.gz RIKRDUUSYGWJSR-QGZVFWFLSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001027234401 743247431 /nfs/dbraw/zinc/24/74/31/743247431.db2.gz VUUSZFMVRRJUFN-WBVHZDCISA-N 1 1 346.475 0.048 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 ZINC000975700622 743249397 /nfs/dbraw/zinc/24/93/97/743249397.db2.gz KJXDVEYWYYTMRL-ULQDDVLXSA-N 1 1 329.444 0.801 20 30 ECEDMO CC[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000262012200 743427595 /nfs/dbraw/zinc/42/75/95/743427595.db2.gz WVEBHYRCTMDRQO-GXTWGEPZSA-N 1 1 331.468 0.762 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCn3ccnc3)C2)nn1 ZINC001105381314 743458243 /nfs/dbraw/zinc/45/82/43/743458243.db2.gz XHKAXFRRFCBGKQ-UHFFFAOYSA-N 1 1 329.408 0.614 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)C1=O ZINC001027291901 743471761 /nfs/dbraw/zinc/47/17/61/743471761.db2.gz YXUZDNWXLFRCAH-HZPDHXFCSA-N 1 1 345.447 0.743 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnns3)C2)C1=O ZINC001027316408 743658057 /nfs/dbraw/zinc/65/80/57/743658057.db2.gz XEFPSJFPBOSEII-CHWSQXEVSA-N 1 1 349.460 0.861 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCO1 ZINC000976201747 743679740 /nfs/dbraw/zinc/67/97/40/743679740.db2.gz YGYXIUYKNVLFGU-RNGZQALNSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCO1 ZINC000976201747 743679741 /nfs/dbraw/zinc/67/97/41/743679741.db2.gz YGYXIUYKNVLFGU-RNGZQALNSA-N 1 1 345.443 0.226 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ccnn3C)C2)C1=O ZINC001027326828 743744088 /nfs/dbraw/zinc/74/40/88/743744088.db2.gz CCGTZDUVARQTSN-LSDHHAIUSA-N 1 1 345.447 0.743 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000976336706 743834128 /nfs/dbraw/zinc/83/41/28/743834128.db2.gz ONPXRGMSEVKVDI-UYLCMAPUSA-N 1 1 341.415 0.413 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CCN(CC(N)=O)CC2)CC1 ZINC000997875365 743863213 /nfs/dbraw/zinc/86/32/13/743863213.db2.gz ZCODTKHWVVGEDL-AWEZNQCLSA-N 1 1 334.464 0.034 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000976407456 743917572 /nfs/dbraw/zinc/91/75/72/743917572.db2.gz IMYAPYTUWGBLSY-FOLVSLTJSA-N 1 1 338.371 0.278 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@H]2O)cc1 ZINC001078243729 782545365 /nfs/dbraw/zinc/54/53/65/782545365.db2.gz VVTSTZGBMADCAN-BMGDILEWSA-N 1 1 348.443 0.990 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC001020599769 751882622 /nfs/dbraw/zinc/88/26/22/751882622.db2.gz QXGVZTDECPGTQY-FZKCQIBNSA-N 1 1 346.431 0.888 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cncnc3)C2)C1=O ZINC001027378293 744050297 /nfs/dbraw/zinc/05/02/97/744050297.db2.gz DVPXUKXQTXWHTJ-CVEARBPZSA-N 1 1 343.431 0.800 20 30 ECEDMO C[N@@H+]([C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@H]1CCC(=O)NC1=O ZINC001027375955 744055573 /nfs/dbraw/zinc/05/55/73/744055573.db2.gz ZZFOLZPAUHPZCW-KBPBESRZSA-N 1 1 343.387 0.228 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)CC[N@H+]1C ZINC000976595063 744120550 /nfs/dbraw/zinc/12/05/50/744120550.db2.gz FZXARMZRSUSYOC-VWOPQJGGSA-N 1 1 341.415 0.413 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001020604946 751891516 /nfs/dbraw/zinc/89/15/16/751891516.db2.gz VUMQJXUBFXYBQN-SYQHCUMBSA-N 1 1 348.451 0.756 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)NC(=O)NCC)C2)nn1 ZINC001105338933 744151313 /nfs/dbraw/zinc/15/13/13/744151313.db2.gz FEPRIFNNTCIZGI-UHFFFAOYSA-N 1 1 349.439 0.035 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ncc[nH]3)C2)C1=O ZINC001027404902 744201685 /nfs/dbraw/zinc/20/16/85/744201685.db2.gz KLWAFUUZSHVWNR-KGLIPLIRSA-N 1 1 331.420 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@H]21 ZINC000976737325 744263389 /nfs/dbraw/zinc/26/33/89/744263389.db2.gz UASWZHPIRYDEAY-XFIYOXNOSA-N 1 1 327.428 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@H]21 ZINC000976737325 744263392 /nfs/dbraw/zinc/26/33/92/744263392.db2.gz UASWZHPIRYDEAY-XFIYOXNOSA-N 1 1 327.428 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CC=CC3)C[C@H]21 ZINC000976742501 744278355 /nfs/dbraw/zinc/27/83/55/744278355.db2.gz UAOKGJZPIJVVDQ-VVLHAWIVSA-N 1 1 327.428 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CC=CC3)C[C@H]21 ZINC000976742501 744278359 /nfs/dbraw/zinc/27/83/59/744278359.db2.gz UAOKGJZPIJVVDQ-VVLHAWIVSA-N 1 1 327.428 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=COCCC3)C[C@H]21 ZINC000976743445 744279342 /nfs/dbraw/zinc/27/93/42/744279342.db2.gz YHZBHXDOAYWHSU-VVLHAWIVSA-N 1 1 343.427 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=COCCC3)C[C@H]21 ZINC000976743445 744279347 /nfs/dbraw/zinc/27/93/47/744279347.db2.gz YHZBHXDOAYWHSU-VVLHAWIVSA-N 1 1 343.427 0.351 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC000998757172 744317014 /nfs/dbraw/zinc/31/70/14/744317014.db2.gz WGBMTKKYHHFMHA-NWDGAFQWSA-N 1 1 341.375 0.767 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000976792379 744329085 /nfs/dbraw/zinc/32/90/85/744329085.db2.gz JTNFBALWURXHBJ-XDKXFUCDSA-N 1 1 347.459 0.635 20 30 ECEDMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nncn1C ZINC000998849641 744370840 /nfs/dbraw/zinc/37/08/40/744370840.db2.gz PDNNKUCELQFIIY-DGCLKSJQSA-N 1 1 327.392 0.970 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001027435177 744382632 /nfs/dbraw/zinc/38/26/32/744382632.db2.gz ZQDQKYALFOFTLV-CYBMUJFWSA-N 1 1 349.884 0.697 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001027435177 744382638 /nfs/dbraw/zinc/38/26/38/744382638.db2.gz ZQDQKYALFOFTLV-CYBMUJFWSA-N 1 1 349.884 0.697 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC000998962333 744432738 /nfs/dbraw/zinc/43/27/38/744432738.db2.gz SFHDUGOOWUKLGF-CYBMUJFWSA-N 1 1 327.392 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2nncn2C)C1 ZINC001027446302 744484445 /nfs/dbraw/zinc/48/44/45/744484445.db2.gz FSNZYVLNGBOBRM-HOTGVXAUSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2nncn2C)C1 ZINC001027446302 744484447 /nfs/dbraw/zinc/48/44/47/744484447.db2.gz FSNZYVLNGBOBRM-HOTGVXAUSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3nc(OC)cc(OC)n3)C[C@@]2(C)C1 ZINC000982308385 751932237 /nfs/dbraw/zinc/93/22/37/751932237.db2.gz WRKDFHPKPPXQAR-HDICACEKSA-N 1 1 344.415 0.911 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000999284438 744600571 /nfs/dbraw/zinc/60/05/71/744600571.db2.gz QUTFBBWYFFEERY-HNNXBMFYSA-N 1 1 345.447 0.497 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000999290091 744603421 /nfs/dbraw/zinc/60/34/21/744603421.db2.gz HFMPQBYNORTOMH-LSDHHAIUSA-N 1 1 333.432 0.533 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001027468126 744646338 /nfs/dbraw/zinc/64/63/38/744646338.db2.gz FGLNOYMCHLQXBJ-GFCCVEGCSA-N 1 1 325.390 0.097 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000999356714 744649972 /nfs/dbraw/zinc/64/99/72/744649972.db2.gz BVNMJHWTMHJILQ-CYBMUJFWSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3nc(CC)no3)C2)nn1 ZINC000999524343 744738100 /nfs/dbraw/zinc/73/81/00/744738100.db2.gz VVMVCRZJVMEQNI-UHFFFAOYSA-N 1 1 345.407 0.802 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1 ZINC000977205564 744765165 /nfs/dbraw/zinc/76/51/65/744765165.db2.gz VYNKZWAXBFBEQZ-CVGURMSBSA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2oc(CC)nc2C)C1 ZINC000999618323 744797438 /nfs/dbraw/zinc/79/74/38/744797438.db2.gz WZAJICAQDJMZKT-AWEZNQCLSA-N 1 1 344.415 0.584 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2oc(CC)nc2C)C1 ZINC000999618323 744797440 /nfs/dbraw/zinc/79/74/40/744797440.db2.gz WZAJICAQDJMZKT-AWEZNQCLSA-N 1 1 344.415 0.584 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2nnn(C)c2C(F)(F)F)C(C)(C)C1 ZINC000977271627 744827301 /nfs/dbraw/zinc/82/73/01/744827301.db2.gz HGRUBEMFLLRKGC-SECBINFHSA-N 1 1 329.326 0.907 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2nnn(C)c2C(F)(F)F)C(C)(C)C1 ZINC000977271627 744827303 /nfs/dbraw/zinc/82/73/03/744827303.db2.gz HGRUBEMFLLRKGC-SECBINFHSA-N 1 1 329.326 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccccn1 ZINC000977289754 744833224 /nfs/dbraw/zinc/83/32/24/744833224.db2.gz QIKFFGWNGQAZBE-RDJZCZTQSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccccn1 ZINC000977289754 744833226 /nfs/dbraw/zinc/83/32/26/744833226.db2.gz QIKFFGWNGQAZBE-RDJZCZTQSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000977285309 744842554 /nfs/dbraw/zinc/84/25/54/744842554.db2.gz GSMXJRMFUKRLJP-BPXZUEPWSA-N 1 1 345.443 0.225 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000977285309 744842555 /nfs/dbraw/zinc/84/25/55/744842555.db2.gz GSMXJRMFUKRLJP-BPXZUEPWSA-N 1 1 345.443 0.225 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)C1=O ZINC000977390708 744912034 /nfs/dbraw/zinc/91/20/34/744912034.db2.gz OKDNQURXEAFAJF-ZIAGYGMSSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)C1=O ZINC000977390708 744912036 /nfs/dbraw/zinc/91/20/36/744912036.db2.gz OKDNQURXEAFAJF-ZIAGYGMSSA-N 1 1 345.447 0.566 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000977415871 744946984 /nfs/dbraw/zinc/94/69/84/744946984.db2.gz ADQAVBSXFCLISO-LBPRGKRZSA-N 1 1 336.436 0.720 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H](C)Cc2cnc[nH]2)C1=O ZINC001167979776 744976404 /nfs/dbraw/zinc/97/64/04/744976404.db2.gz XDBFYNLCKDJLLY-UKRRQHHQSA-N 1 1 333.436 0.471 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 ZINC000999876652 744984961 /nfs/dbraw/zinc/98/49/61/744984961.db2.gz INAIMTKLXHKGTR-GOSISDBHSA-N 1 1 335.423 0.939 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977442690 744994567 /nfs/dbraw/zinc/99/45/67/744994567.db2.gz XEIFRSDBKBDRCG-DZGCQCFKSA-N 1 1 331.420 0.703 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977442690 744994572 /nfs/dbraw/zinc/99/45/72/744994572.db2.gz XEIFRSDBKBDRCG-DZGCQCFKSA-N 1 1 331.420 0.703 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CN(C(=O)C#CC3CC3)C1)C2 ZINC000999883892 744999857 /nfs/dbraw/zinc/99/98/57/744999857.db2.gz VOGWHYJBPDKNPJ-CQSZACIVSA-N 1 1 326.400 0.494 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000977463033 745047073 /nfs/dbraw/zinc/04/70/73/745047073.db2.gz DWQUBWAHKXJHSV-JTQLQIEISA-N 1 1 336.392 0.913 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000977470804 745060463 /nfs/dbraw/zinc/06/04/63/745060463.db2.gz BRDZEAXBRGDHMC-GJZGRUSLSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncnc3C)nn2)C1 ZINC000999953206 745090294 /nfs/dbraw/zinc/09/02/94/745090294.db2.gz ABKMCPBPCHRSMW-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3scnc3C)nn2)C1 ZINC000999955457 745094904 /nfs/dbraw/zinc/09/49/04/745094904.db2.gz KVTXKSZTGBPFEE-CYBMUJFWSA-N 1 1 330.417 0.853 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)nn3C)nn2)C1 ZINC000999960184 745101592 /nfs/dbraw/zinc/10/15/92/745101592.db2.gz CMOONHMVDLTAFB-AWEZNQCLSA-N 1 1 329.408 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ocnc1C ZINC000977498904 745102560 /nfs/dbraw/zinc/10/25/60/745102560.db2.gz FXZVENHKVANBQO-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ocnc1C ZINC000977498904 745102561 /nfs/dbraw/zinc/10/25/61/745102561.db2.gz FXZVENHKVANBQO-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO COCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC000999976339 745125351 /nfs/dbraw/zinc/12/53/51/745125351.db2.gz UKHHJQWAPRUHDP-OAHLLOKOSA-N 1 1 343.391 0.301 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3N)nn2)C1 ZINC000999980064 745130343 /nfs/dbraw/zinc/13/03/43/745130343.db2.gz CFUZXRLCXDRQEZ-ZDUSSCGKSA-N 1 1 344.423 0.347 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCOCC3)nn2)C1 ZINC000999986528 745140967 /nfs/dbraw/zinc/14/09/67/745140967.db2.gz TVRMXTZBTPJTKY-RDJZCZTQSA-N 1 1 345.447 0.981 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cn[nH]c(=O)c3)nn2)C1 ZINC000999992691 745150302 /nfs/dbraw/zinc/15/03/02/745150302.db2.gz PIVHELDAOYGWLW-AWEZNQCLSA-N 1 1 343.391 0.527 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]c(=O)[nH]c3C)nn2)C1 ZINC000999994491 745152847 /nfs/dbraw/zinc/15/28/47/745152847.db2.gz BHCYBFRHNHXDLL-LBPRGKRZSA-N 1 1 331.380 0.378 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 ZINC000999995724 745154900 /nfs/dbraw/zinc/15/49/00/745154900.db2.gz HHDPJRBTWZFJBD-LSDHHAIUSA-N 1 1 331.424 0.149 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]nc3CC)nn2)C1 ZINC001000002134 745165303 /nfs/dbraw/zinc/16/53/03/745165303.db2.gz HBHZZAOWGFJUPC-AWEZNQCLSA-N 1 1 341.419 0.764 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnnc3C)nn2)C1 ZINC001000001714 745165332 /nfs/dbraw/zinc/16/53/32/745165332.db2.gz FQXVQZMKLPRUQV-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)nn(C)c3C)nn2)C1 ZINC001000003421 745168045 /nfs/dbraw/zinc/16/80/45/745168045.db2.gz YEAMUIPMEJKYFL-OAHLLOKOSA-N 1 1 341.419 0.438 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001027536465 745172507 /nfs/dbraw/zinc/17/25/07/745172507.db2.gz RLIOWDZPDZEPBP-FIDHJVLJSA-N 1 1 347.459 0.589 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCNC3=O)nn2)C1 ZINC001000013685 745182844 /nfs/dbraw/zinc/18/28/44/745182844.db2.gz IQJVQRROOLIXHU-GJZGRUSLSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncc(C#C)c3)nn2)C1 ZINC001000019051 745188613 /nfs/dbraw/zinc/18/86/13/745188613.db2.gz CFWCJJXVXLFDSF-GOSISDBHSA-N 1 1 348.410 0.855 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccc(=O)n3C)nn2)C1 ZINC001000020600 745191459 /nfs/dbraw/zinc/19/14/59/745191459.db2.gz NXUSRNKTIGBVOL-AWEZNQCLSA-N 1 1 342.403 0.340 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(CC)nn3)nn2)C1 ZINC001000035195 745211136 /nfs/dbraw/zinc/21/11/36/745211136.db2.gz KXFDCSOQTREKQO-AWEZNQCLSA-N 1 1 342.407 0.090 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(OC)o3)nn2)C1 ZINC001000038270 745216719 /nfs/dbraw/zinc/21/67/19/745216719.db2.gz VBJKFDYNNATOKL-CYBMUJFWSA-N 1 1 329.360 0.690 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1c[nH]c(C#N)c1 ZINC000977580435 745237931 /nfs/dbraw/zinc/23/79/31/745237931.db2.gz LPFPTRNTXROXNB-HUUCEWRRSA-N 1 1 329.404 0.653 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000977609192 745264832 /nfs/dbraw/zinc/26/48/32/745264832.db2.gz XQHOJAXEQYGTIL-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ncccn3)C2)nn1 ZINC001020700284 751989402 /nfs/dbraw/zinc/98/94/02/751989402.db2.gz LVEOJFKHQISCNG-AVGNSLFASA-N 1 1 327.392 0.866 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001059235180 745300080 /nfs/dbraw/zinc/30/00/80/745300080.db2.gz MMPWCJYKPAKWNE-YDHLFZDLSA-N 1 1 344.419 0.437 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001059235180 745300089 /nfs/dbraw/zinc/30/00/89/745300089.db2.gz MMPWCJYKPAKWNE-YDHLFZDLSA-N 1 1 344.419 0.437 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001006949117 751998236 /nfs/dbraw/zinc/99/82/36/751998236.db2.gz IACDGEXVRNOGOM-GOEBONIOSA-N 1 1 346.431 0.893 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001006949117 751998242 /nfs/dbraw/zinc/99/82/42/751998242.db2.gz IACDGEXVRNOGOM-GOEBONIOSA-N 1 1 346.431 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]cc1C ZINC000977691567 745403829 /nfs/dbraw/zinc/40/38/29/745403829.db2.gz KGKCHKWVDJXCJE-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1n[nH]cc1C ZINC000977691567 745403833 /nfs/dbraw/zinc/40/38/33/745403833.db2.gz KGKCHKWVDJXCJE-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)[nH]1 ZINC001083413409 745484220 /nfs/dbraw/zinc/48/42/20/745484220.db2.gz MFPXPTQBDZJEAL-IMJJTQAJSA-N 1 1 332.404 0.620 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)[nH]1 ZINC001083413637 745487316 /nfs/dbraw/zinc/48/73/16/745487316.db2.gz XSRSJBQOGBTIAZ-FRRDWIJNSA-N 1 1 340.330 0.085 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)[nH]1 ZINC001083413637 745487319 /nfs/dbraw/zinc/48/73/19/745487319.db2.gz XSRSJBQOGBTIAZ-FRRDWIJNSA-N 1 1 340.330 0.085 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCN2CCNC2=O)[nH]1 ZINC001029276065 745505875 /nfs/dbraw/zinc/50/58/75/745505875.db2.gz XWXRXMIZBRVOFV-OKILXGFUSA-N 1 1 342.403 0.200 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN2CCNC2=O)[nH]1 ZINC001029276065 745505878 /nfs/dbraw/zinc/50/58/78/745505878.db2.gz XWXRXMIZBRVOFV-OKILXGFUSA-N 1 1 342.403 0.200 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)[nH]1 ZINC001029276054 745505887 /nfs/dbraw/zinc/50/58/87/745505887.db2.gz XKRBXECTOFLZQV-OKILXGFUSA-N 1 1 325.376 0.467 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)[nH]1 ZINC001029276054 745505889 /nfs/dbraw/zinc/50/58/89/745505889.db2.gz XKRBXECTOFLZQV-OKILXGFUSA-N 1 1 325.376 0.467 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1nccnc1C#N ZINC001126513953 745556055 /nfs/dbraw/zinc/55/60/55/745556055.db2.gz YVGXRAYNDXKKMP-AWEZNQCLSA-N 1 1 346.435 0.402 20 30 ECEDMO CN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC001000564852 745600275 /nfs/dbraw/zinc/60/02/75/745600275.db2.gz VRPBGYGWLAEPRV-HNNXBMFYSA-N 1 1 327.388 0.479 20 30 ECEDMO C=CCC1(C(=O)NCC[NH2+]Cc2ncnn2CCF)CCOCC1 ZINC001149318513 745628980 /nfs/dbraw/zinc/62/89/80/745628980.db2.gz WFGBQQCLIDENGK-UHFFFAOYSA-N 1 1 339.415 0.826 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1cnc[nH]1 ZINC000977916789 745643304 /nfs/dbraw/zinc/64/33/04/745643304.db2.gz GNHVNTWTSMRSAT-HOTGVXAUSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1cnc[nH]1 ZINC000977916789 745643306 /nfs/dbraw/zinc/64/33/06/745643306.db2.gz GNHVNTWTSMRSAT-HOTGVXAUSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1ccco1 ZINC000977917524 745644653 /nfs/dbraw/zinc/64/46/53/745644653.db2.gz HTHRMTPKOAMNNH-RDJZCZTQSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1ccco1 ZINC000977917524 745644654 /nfs/dbraw/zinc/64/46/54/745644654.db2.gz HTHRMTPKOAMNNH-RDJZCZTQSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(C)no1 ZINC000977924325 745677579 /nfs/dbraw/zinc/67/75/79/745677579.db2.gz FXRONYLVBQBVOQ-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(C)no1 ZINC000977924325 745677584 /nfs/dbraw/zinc/67/75/84/745677584.db2.gz FXRONYLVBQBVOQ-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001029312183 745680902 /nfs/dbraw/zinc/68/09/02/745680902.db2.gz URBKGOUQQNFLGO-JJTUDDRGSA-N 1 1 347.459 0.921 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1ccncc1C#N ZINC001126523723 745729526 /nfs/dbraw/zinc/72/95/26/745729526.db2.gz OQQWJJPVDYXASI-GDBMZVCRSA-N 1 1 345.447 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccn(C)c4)[C@@H]3C2)C1=O ZINC000977985902 745750032 /nfs/dbraw/zinc/75/00/32/745750032.db2.gz WOTSITHXVFPKPF-NXOAAHMSSA-N 1 1 342.443 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C)o2)C1 ZINC001000819148 745797123 /nfs/dbraw/zinc/79/71/23/745797123.db2.gz RNYDSFCASYEUNF-HNNXBMFYSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C)o2)C1 ZINC001000819148 745797127 /nfs/dbraw/zinc/79/71/27/745797127.db2.gz RNYDSFCASYEUNF-HNNXBMFYSA-N 1 1 329.400 0.874 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC001000915348 745894804 /nfs/dbraw/zinc/89/48/04/745894804.db2.gz VXZZHIQVDQTBHZ-UHFFFAOYSA-N 1 1 340.383 0.798 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cnc3sccn3c2=O)CC1 ZINC001000918049 745897876 /nfs/dbraw/zinc/89/78/76/745897876.db2.gz NQFAKDTWNLHTKC-UHFFFAOYSA-N 1 1 328.397 0.751 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncc[nH]3)[C@H]2CC)C1=O ZINC001087566252 746054444 /nfs/dbraw/zinc/05/44/44/746054444.db2.gz BKCDZHKVDGJKIR-MJBXVCDLSA-N 1 1 331.420 0.779 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1 ZINC000978231200 746063010 /nfs/dbraw/zinc/06/30/10/746063010.db2.gz AGVBUFZNZCTWFX-PHZGNYQRSA-N 1 1 329.400 0.644 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC000978263147 746108030 /nfs/dbraw/zinc/10/80/30/746108030.db2.gz BLBGCLYGGSMGTA-PNBKFKSVSA-N 1 1 342.443 0.812 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1CC ZINC001087603692 746121052 /nfs/dbraw/zinc/12/10/52/746121052.db2.gz CYVYEXOEXFUMHB-QWHCGFSZSA-N 1 1 329.828 0.567 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1CC ZINC001087603692 746121054 /nfs/dbraw/zinc/12/10/54/746121054.db2.gz CYVYEXOEXFUMHB-QWHCGFSZSA-N 1 1 329.828 0.567 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1CC ZINC001087622699 746127223 /nfs/dbraw/zinc/12/72/23/746127223.db2.gz BHSXHEGCMNLFLR-LSDHHAIUSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1CC ZINC001087622699 746127227 /nfs/dbraw/zinc/12/72/27/746127227.db2.gz BHSXHEGCMNLFLR-LSDHHAIUSA-N 1 1 338.473 0.804 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1CC ZINC001087629854 746131127 /nfs/dbraw/zinc/13/11/27/746131127.db2.gz JQCUVGBBMPNMJY-JKSUJKDBSA-N 1 1 336.480 0.696 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@H]1CC ZINC001087674916 746174586 /nfs/dbraw/zinc/17/45/86/746174586.db2.gz KJNVEPXEUFVJMO-MWDXBVQZSA-N 1 1 335.448 0.615 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](CC)C(N)=O)C2)nn1 ZINC001027609684 746182194 /nfs/dbraw/zinc/18/21/94/746182194.db2.gz CZOSUDCARNEJHV-UKRRQHHQSA-N 1 1 348.451 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]cc1F ZINC000978328906 746186246 /nfs/dbraw/zinc/18/62/46/746186246.db2.gz AFQPKYCZRZIBQQ-JSGCOSHPSA-N 1 1 347.394 0.319 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]cc1F ZINC000978328906 746186251 /nfs/dbraw/zinc/18/62/51/746186251.db2.gz AFQPKYCZRZIBQQ-JSGCOSHPSA-N 1 1 347.394 0.319 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001027612585 746211465 /nfs/dbraw/zinc/21/14/65/746211465.db2.gz LRDZQAQWYFHWRC-CHWSQXEVSA-N 1 1 349.884 0.696 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001027612585 746211467 /nfs/dbraw/zinc/21/14/67/746211467.db2.gz LRDZQAQWYFHWRC-CHWSQXEVSA-N 1 1 349.884 0.696 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087708055 746213849 /nfs/dbraw/zinc/21/38/49/746213849.db2.gz PMKDDBAPLSCAGI-HRCADAONSA-N 1 1 341.415 0.709 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnn(C)n3)C2)C1=O ZINC001027613465 746234646 /nfs/dbraw/zinc/23/46/46/746234646.db2.gz IFTSVJHDZXVZNK-DZGCQCFKSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001297949 746256311 /nfs/dbraw/zinc/25/63/11/746256311.db2.gz VGOCWFHOONSAGB-MRXNPFEDSA-N 1 1 346.431 0.193 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001297949 746256313 /nfs/dbraw/zinc/25/63/13/746256313.db2.gz VGOCWFHOONSAGB-MRXNPFEDSA-N 1 1 346.431 0.193 20 30 ECEDMO C=CCOc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cc1 ZINC000978395657 746276605 /nfs/dbraw/zinc/27/66/05/746276605.db2.gz TWKOUIPHSOMBJR-PHZGNYQRSA-N 1 1 329.400 0.644 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)c3)[C@@H]2CC)nn1 ZINC001087754115 746286582 /nfs/dbraw/zinc/28/65/82/746286582.db2.gz OWJDLJDKQIGDEV-GOEBONIOSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)[C@@H]2CC)nn1 ZINC001087754115 746286590 /nfs/dbraw/zinc/28/65/90/746286590.db2.gz OWJDLJDKQIGDEV-GOEBONIOSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3OCC(N)=O)[C@@H]2C1 ZINC000978418754 746287859 /nfs/dbraw/zinc/28/78/59/746287859.db2.gz ARDQQPFWVGSNIH-QKDCVEJESA-N 1 1 327.384 0.092 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc[nH]c2C)C1 ZINC001001356718 746303740 /nfs/dbraw/zinc/30/37/40/746303740.db2.gz OBULPPHGOIYDLV-INIZCTEOSA-N 1 1 328.416 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc[nH]c2C)C1 ZINC001001356718 746303748 /nfs/dbraw/zinc/30/37/48/746303748.db2.gz OBULPPHGOIYDLV-INIZCTEOSA-N 1 1 328.416 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2cnco2)C1 ZINC000984342551 746311188 /nfs/dbraw/zinc/31/11/88/746311188.db2.gz FNVJSFFEOGOIEM-CABCVRRESA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2cnco2)C1 ZINC000984342551 746311191 /nfs/dbraw/zinc/31/11/91/746311191.db2.gz FNVJSFFEOGOIEM-CABCVRRESA-N 1 1 344.415 0.835 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2ccc(C(=O)NC)nc2)CC1 ZINC001001378988 746324566 /nfs/dbraw/zinc/32/45/66/746324566.db2.gz NZCQMCPJUDPHGP-UHFFFAOYSA-N 1 1 326.400 0.826 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1CC ZINC001087786963 746332996 /nfs/dbraw/zinc/33/29/96/746332996.db2.gz AZZLKGNOZGLLAD-LSDHHAIUSA-N 1 1 345.447 0.374 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)[C@H]1CC ZINC001087788394 746334212 /nfs/dbraw/zinc/33/42/12/746334212.db2.gz PTYQKLAJTUOYOT-IJEWVQPXSA-N 1 1 331.420 0.846 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)C1=O ZINC001027628986 746373575 /nfs/dbraw/zinc/37/35/75/746373575.db2.gz PGRHXARPZJWSJI-HUUCEWRRSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@@H]2C1 ZINC000978548039 746415779 /nfs/dbraw/zinc/41/57/79/746415779.db2.gz JLHFYDPIGVOMJA-SMLCLMEVSA-N 1 1 335.448 0.492 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)[nH]1 ZINC001001478772 746418879 /nfs/dbraw/zinc/41/88/79/746418879.db2.gz WTZOCDOEXJGTDI-SFHVURJKSA-N 1 1 341.415 0.560 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001509575 746448051 /nfs/dbraw/zinc/44/80/51/746448051.db2.gz QSFYHBISESWJDD-ABAIWWIYSA-N 1 1 329.404 0.272 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc[nH]c4)[C@@H]3C2)C1=O ZINC001075824698 746544893 /nfs/dbraw/zinc/54/48/93/746544893.db2.gz KEYFETWBHLNDCG-ARFHVFGLSA-N 1 1 328.416 0.948 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2[nH]ccc2C)C1 ZINC001001657531 746575684 /nfs/dbraw/zinc/57/56/84/746575684.db2.gz XYXBBPWTRPJINN-HNNXBMFYSA-N 1 1 328.416 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2[nH]ccc2C)C1 ZINC001001657531 746575687 /nfs/dbraw/zinc/57/56/87/746575687.db2.gz XYXBBPWTRPJINN-HNNXBMFYSA-N 1 1 328.416 0.609 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C)c(C(N)=O)cn3)[C@@H]2C1 ZINC000978753336 746658195 /nfs/dbraw/zinc/65/81/95/746658195.db2.gz YWZXXSKRBOPCRK-QKDCVEJESA-N 1 1 326.400 0.420 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]2C1 ZINC001087920398 746661994 /nfs/dbraw/zinc/66/19/94/746661994.db2.gz NLOSFPLROUXCBI-ILXRZTDVSA-N 1 1 327.856 0.850 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]2C1 ZINC001087920398 746661998 /nfs/dbraw/zinc/66/19/98/746661998.db2.gz NLOSFPLROUXCBI-ILXRZTDVSA-N 1 1 327.856 0.850 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC000978740404 746666141 /nfs/dbraw/zinc/66/61/41/746666141.db2.gz GSSPIBIHNDQJER-ROHXPCBUSA-N 1 1 342.237 0.310 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087924921 746670315 /nfs/dbraw/zinc/67/03/15/746670315.db2.gz PCPQXKSCSDKFEY-YUTCNCBUSA-N 1 1 329.404 0.415 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3(CF)CCC3)C[C@]2(C)C1 ZINC001101367947 746700293 /nfs/dbraw/zinc/70/02/93/746700293.db2.gz UJGTUPYCGHBDMB-PBHICJAKSA-N 1 1 335.423 0.656 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000978786990 746711305 /nfs/dbraw/zinc/71/13/05/746711305.db2.gz CJJBGKOYOJQLLU-ZNMIVQPWSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000978786990 746711309 /nfs/dbraw/zinc/71/13/09/746711309.db2.gz CJJBGKOYOJQLLU-ZNMIVQPWSA-N 1 1 343.431 0.440 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001027671074 746717317 /nfs/dbraw/zinc/71/73/17/746717317.db2.gz RSSUNPZSSSSYRD-ZDUSSCGKSA-N 1 1 336.436 0.816 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnns4)C[C@H]32)nn1 ZINC000978817619 746744510 /nfs/dbraw/zinc/74/45/10/746744510.db2.gz NWOCHEAZYNODOF-XYYAHUGASA-N 1 1 345.432 0.423 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnns4)C[C@H]32)nn1 ZINC000978817619 746744515 /nfs/dbraw/zinc/74/45/15/746744515.db2.gz NWOCHEAZYNODOF-XYYAHUGASA-N 1 1 345.432 0.423 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001027677556 746752679 /nfs/dbraw/zinc/75/26/79/746752679.db2.gz VQELKOCAQNJVDW-LLVKDONJSA-N 1 1 340.811 0.775 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001027677556 746752685 /nfs/dbraw/zinc/75/26/85/746752685.db2.gz VQELKOCAQNJVDW-LLVKDONJSA-N 1 1 340.811 0.775 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)n1 ZINC001059413931 746763038 /nfs/dbraw/zinc/76/30/38/746763038.db2.gz AFAOHWHQKSGQDK-OPQSFPLASA-N 1 1 328.420 0.914 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]2C1 ZINC001087977972 746776505 /nfs/dbraw/zinc/77/65/05/746776505.db2.gz FOEMEBQENMMBOD-KGLIPLIRSA-N 1 1 332.452 0.937 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3cnnn3C)CC2)nn1 ZINC001001919166 746806973 /nfs/dbraw/zinc/80/69/73/746806973.db2.gz QIZAOLGGYYFBNC-UHFFFAOYSA-N 1 1 344.423 0.235 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001027688250 746810346 /nfs/dbraw/zinc/81/03/46/746810346.db2.gz GQQYCEOVWGOLQA-LSDHHAIUSA-N 1 1 343.855 0.909 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001027688250 746810350 /nfs/dbraw/zinc/81/03/50/746810350.db2.gz GQQYCEOVWGOLQA-LSDHHAIUSA-N 1 1 343.855 0.909 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001001926019 746810966 /nfs/dbraw/zinc/81/09/66/746810966.db2.gz JZXYTDZEAJGRQE-CVEARBPZSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001001926019 746810972 /nfs/dbraw/zinc/81/09/72/746810972.db2.gz JZXYTDZEAJGRQE-CVEARBPZSA-N 1 1 329.444 0.849 20 30 ECEDMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)n1 ZINC000978864154 746812896 /nfs/dbraw/zinc/81/28/96/746812896.db2.gz PYUWQFSFLSQWGP-ZSOGYDGISA-N 1 1 342.428 0.856 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000978867958 746818687 /nfs/dbraw/zinc/81/86/87/746818687.db2.gz XHPFAODTUYHHHM-SIRPWMCASA-N 1 1 349.475 0.930 20 30 ECEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nnc[nH]4)[C@@H]3C2)ccc1F ZINC000978877298 746844034 /nfs/dbraw/zinc/84/40/34/746844034.db2.gz IJPKZCWKIFUVKL-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccnc(C)n2)C1 ZINC001002046110 746921267 /nfs/dbraw/zinc/92/12/67/746921267.db2.gz IZMWDANWVAGNHX-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccnc(C)n2)C1 ZINC001002046110 746921270 /nfs/dbraw/zinc/92/12/70/746921270.db2.gz IZMWDANWVAGNHX-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@@H]2C1 ZINC000978942307 746923663 /nfs/dbraw/zinc/92/36/63/746923663.db2.gz RUHFPMUCIWPXTD-CNDDSTCGSA-N 1 1 348.403 0.770 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3cnnn3C)CC2)cn1 ZINC001002054809 746932975 /nfs/dbraw/zinc/93/29/75/746932975.db2.gz KFFDQGXACRKVDB-UHFFFAOYSA-N 1 1 338.415 0.833 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007154712 752135276 /nfs/dbraw/zinc/13/52/76/752135276.db2.gz HAZRCIVRHQFABY-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007154712 752135281 /nfs/dbraw/zinc/13/52/81/752135281.db2.gz HAZRCIVRHQFABY-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027704170 746963817 /nfs/dbraw/zinc/96/38/17/746963817.db2.gz KGAZZGVTVGJTPR-NEPJUHHUSA-N 1 1 327.812 0.715 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027704170 746963824 /nfs/dbraw/zinc/96/38/24/746963824.db2.gz KGAZZGVTVGJTPR-NEPJUHHUSA-N 1 1 327.812 0.715 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978971183 746975086 /nfs/dbraw/zinc/97/50/86/746975086.db2.gz QNNQOAKOCYBFOH-ZQDZILKHSA-N 1 1 331.420 0.723 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@H]32)nc1 ZINC000978984739 747020011 /nfs/dbraw/zinc/02/00/11/747020011.db2.gz JHYWIWAAVDHRAE-OSYLJGHBSA-N 1 1 335.411 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@H]32)nc1 ZINC000978984739 747020019 /nfs/dbraw/zinc/02/00/19/747020019.db2.gz JHYWIWAAVDHRAE-OSYLJGHBSA-N 1 1 335.411 0.904 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C[C@@H]2C1 ZINC001088020407 747075677 /nfs/dbraw/zinc/07/56/77/747075677.db2.gz JVURTLUMPSYNDE-YPMHNXCESA-N 1 1 325.372 0.691 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001088032517 747114410 /nfs/dbraw/zinc/11/44/10/747114410.db2.gz RVSLSJDGEAQNIV-CABCVRRESA-N 1 1 333.432 0.882 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088043495 747135680 /nfs/dbraw/zinc/13/56/80/747135680.db2.gz WAHGXQHYILPNON-TWMKSMIVSA-N 1 1 347.459 0.603 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1 ZINC000979073388 747146631 /nfs/dbraw/zinc/14/66/31/747146631.db2.gz QLDGGEVWUREJDN-XYYAHUGASA-N 1 1 332.404 0.360 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CNC(C)=O)c3)[C@@H]2C1 ZINC000979093487 747163990 /nfs/dbraw/zinc/16/39/90/747163990.db2.gz RGQYCTNXVYXEKM-NNZMDNLPSA-N 1 1 325.412 0.864 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@@H]2C1 ZINC001088082808 747286883 /nfs/dbraw/zinc/28/68/83/747286883.db2.gz LXANVDGHBIASOI-ZNMIVQPWSA-N 1 1 329.448 0.886 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001002404614 747303022 /nfs/dbraw/zinc/30/30/22/747303022.db2.gz IHQRWAYFFDDFBS-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCOC4)CC[C@@H]3C2)nn1 ZINC001088133386 747461456 /nfs/dbraw/zinc/46/14/56/747461456.db2.gz FFWIKVZVZKXLPL-OAGGEKHMSA-N 1 1 345.447 0.895 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088134478 747465418 /nfs/dbraw/zinc/46/54/18/747465418.db2.gz OOJNYIGQXVBBDB-AESZEHBQSA-N 1 1 335.448 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000982430755 752187697 /nfs/dbraw/zinc/18/76/97/752187697.db2.gz IKVBTDIGGSVSBX-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000982430755 752187701 /nfs/dbraw/zinc/18/77/01/752187701.db2.gz IKVBTDIGGSVSBX-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO N#CCSCC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CCCO1 ZINC001149239405 752188656 /nfs/dbraw/zinc/18/86/56/752188656.db2.gz ZYRQCKRLKKOCOS-HUUCEWRRSA-N 1 1 341.477 0.877 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(C#N)n2)C1 ZINC001059498669 747537558 /nfs/dbraw/zinc/53/75/58/747537558.db2.gz PMGWPIVKQLBPRR-WYQXTGKHSA-N 1 1 340.431 0.916 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088164036 747561749 /nfs/dbraw/zinc/56/17/49/747561749.db2.gz RIDRHHZOBJOBEG-PMPSAXMXSA-N 1 1 343.431 0.657 20 30 ECEDMO CN(C(=O)C[NH+]1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1)C1CC1 ZINC001002631906 747595592 /nfs/dbraw/zinc/59/55/92/747595592.db2.gz NKKVSQAMEWPRFY-UHFFFAOYSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC001002637403 747600228 /nfs/dbraw/zinc/60/02/28/747600228.db2.gz ICCRSANHMFJKBI-YESZJQIVSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC001002637403 747600234 /nfs/dbraw/zinc/60/02/34/747600234.db2.gz ICCRSANHMFJKBI-YESZJQIVSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@@H]2C1 ZINC001088175161 747677453 /nfs/dbraw/zinc/67/74/53/747677453.db2.gz IDORGRVTUIRRQN-KGLIPLIRSA-N 1 1 337.379 0.597 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2nnnn2C2CC2)C1 ZINC000979380725 747707643 /nfs/dbraw/zinc/70/76/43/747707643.db2.gz UPWYGFINJBKZAM-JSGCOSHPSA-N 1 1 348.451 0.926 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@@H]2C1 ZINC001088195617 747717978 /nfs/dbraw/zinc/71/79/78/747717978.db2.gz NVEWIACDAWVRON-SJORKVTESA-N 1 1 340.427 0.882 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204963 747741491 /nfs/dbraw/zinc/74/14/91/747741491.db2.gz VXPKKVKEVRXFCS-FRRDWIJNSA-N 1 1 347.868 0.211 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204963 747741498 /nfs/dbraw/zinc/74/14/98/747741498.db2.gz VXPKKVKEVRXFCS-FRRDWIJNSA-N 1 1 347.868 0.211 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 ZINC001088232021 747784693 /nfs/dbraw/zinc/78/46/93/747784693.db2.gz FZRMPXCIVFZVRA-DLBZAZTESA-N 1 1 348.443 0.902 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC(CO[C@H]3CC[N@H+](CCO)C3)CC2)c[nH]1 ZINC001088231390 747791279 /nfs/dbraw/zinc/79/12/79/747791279.db2.gz QACOUONSTGPKML-KRWDZBQOSA-N 1 1 346.431 0.822 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001088234346 747803761 /nfs/dbraw/zinc/80/37/61/747803761.db2.gz PEEFEEAIFBJCIA-MRXNPFEDSA-N 1 1 333.436 0.794 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC001088234357 747804125 /nfs/dbraw/zinc/80/41/25/747804125.db2.gz POBWRGDHUXVEQW-INIZCTEOSA-N 1 1 344.415 0.759 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 ZINC001088236273 747809266 /nfs/dbraw/zinc/80/92/66/747809266.db2.gz PWWWGQFBPCFVEQ-SJORKVTESA-N 1 1 349.475 0.980 20 30 ECEDMO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]nn2)C12CCC2 ZINC001203419347 747810735 /nfs/dbraw/zinc/81/07/35/747810735.db2.gz LPXKYVUMOZHXTJ-LSDHHAIUSA-N 1 1 331.420 0.404 20 30 ECEDMO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2cnn[nH]2)C12CCC2 ZINC001203419347 747810740 /nfs/dbraw/zinc/81/07/40/747810740.db2.gz LPXKYVUMOZHXTJ-LSDHHAIUSA-N 1 1 331.420 0.404 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001088235174 747814911 /nfs/dbraw/zinc/81/49/11/747814911.db2.gz LWUDDWFHGOWUIO-OAHLLOKOSA-N 1 1 331.420 0.771 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001088236998 747833044 /nfs/dbraw/zinc/83/30/44/747833044.db2.gz JFMDWKYSGWJUBK-LSDHHAIUSA-N 1 1 336.436 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc[nH]c2CC)C1 ZINC001002825326 747836795 /nfs/dbraw/zinc/83/67/95/747836795.db2.gz BYPYDZXQZNRLNQ-KRWDZBQOSA-N 1 1 342.443 0.863 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc[nH]c2CC)C1 ZINC001002825326 747836800 /nfs/dbraw/zinc/83/68/00/747836800.db2.gz BYPYDZXQZNRLNQ-KRWDZBQOSA-N 1 1 342.443 0.863 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC001002828737 747843546 /nfs/dbraw/zinc/84/35/46/747843546.db2.gz GGQQYKLBKMLQQJ-QWPQOLDESA-N 1 1 340.427 0.700 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC001002828737 747843552 /nfs/dbraw/zinc/84/35/52/747843552.db2.gz GGQQYKLBKMLQQJ-QWPQOLDESA-N 1 1 340.427 0.700 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001002829935 747846072 /nfs/dbraw/zinc/84/60/72/747846072.db2.gz PKBARNANHQDDBB-HNNXBMFYSA-N 1 1 348.834 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001002829935 747846080 /nfs/dbraw/zinc/84/60/80/747846080.db2.gz PKBARNANHQDDBB-HNNXBMFYSA-N 1 1 348.834 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cncc(C)c2)C1 ZINC001002830418 747848204 /nfs/dbraw/zinc/84/82/04/747848204.db2.gz ROXNQPYRBAVKQP-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cncc(C)c2)C1 ZINC001002830418 747848225 /nfs/dbraw/zinc/84/82/25/747848225.db2.gz ROXNQPYRBAVKQP-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C)n2cccn2)C1 ZINC001002830917 747848501 /nfs/dbraw/zinc/84/85/01/747848501.db2.gz YMQMQFKFLIQWBQ-ZBFHGGJFSA-N 1 1 343.431 0.116 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C)n2cccn2)C1 ZINC001002830917 747848508 /nfs/dbraw/zinc/84/85/08/747848508.db2.gz YMQMQFKFLIQWBQ-ZBFHGGJFSA-N 1 1 343.431 0.116 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001002834759 747855285 /nfs/dbraw/zinc/85/52/85/747855285.db2.gz ICQWNPRXZNGNFN-WBVHZDCISA-N 1 1 346.475 0.143 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000988501415 752219498 /nfs/dbraw/zinc/21/94/98/752219498.db2.gz MSIPEBSQSCIPMP-DGCLKSJQSA-N 1 1 327.392 0.891 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2cnnn2C)CC1 ZINC001002849021 747873973 /nfs/dbraw/zinc/87/39/73/747873973.db2.gz NUYRXZCVDHXCCJ-CVEARBPZSA-N 1 1 333.436 0.877 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000988503919 752221195 /nfs/dbraw/zinc/22/11/95/752221195.db2.gz VQYDZURZSUQBFG-DGCLKSJQSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001078249688 782556917 /nfs/dbraw/zinc/55/69/17/782556917.db2.gz HIPCDYKBJNLMJU-HUUCEWRRSA-N 1 1 327.384 0.975 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)nn1 ZINC001098723649 747916773 /nfs/dbraw/zinc/91/67/73/747916773.db2.gz ZMHCZWOLXLBHCD-GFCCVEGCSA-N 1 1 333.371 0.893 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001088240134 747942938 /nfs/dbraw/zinc/94/29/38/747942938.db2.gz PRDWEBZMAOGSJB-OAHLLOKOSA-N 1 1 331.420 0.310 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027813323 748002532 /nfs/dbraw/zinc/00/25/32/748002532.db2.gz RELFUWJOWZTXEQ-ZBFHGGJFSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027813323 748002538 /nfs/dbraw/zinc/00/25/38/748002538.db2.gz RELFUWJOWZTXEQ-ZBFHGGJFSA-N 1 1 341.415 0.867 20 30 ECEDMO Cc1nc(CN(C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n[nH]1 ZINC001029690999 748078839 /nfs/dbraw/zinc/07/88/39/748078839.db2.gz LPNGXNSEQDLKJA-GFCCVEGCSA-N 1 1 327.392 0.907 20 30 ECEDMO Cn1nncc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029707659 748109579 /nfs/dbraw/zinc/10/95/79/748109579.db2.gz DNWWWXGOVNNMDZ-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc[nH]c(=O)c2)C1=O ZINC001027822275 748120045 /nfs/dbraw/zinc/12/00/45/748120045.db2.gz CGCXIUQSOHWJAQ-GJZGRUSLSA-N 1 1 344.415 0.768 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC000979612974 748120936 /nfs/dbraw/zinc/12/09/36/748120936.db2.gz GVTRJFVIZKSPBE-YUTCNCBUSA-N 1 1 329.404 0.463 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001029724723 748160192 /nfs/dbraw/zinc/16/01/92/748160192.db2.gz NZLPGDIPDZHHPB-HZPDHXFCSA-N 1 1 342.399 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)C1=O ZINC001029733430 748175984 /nfs/dbraw/zinc/17/59/84/748175984.db2.gz JRAINNNLQPALEE-IAGOWNOFSA-N 1 1 329.444 0.967 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985475580 748215615 /nfs/dbraw/zinc/21/56/15/748215615.db2.gz MBOHYSMELPRTFJ-AWEZNQCLSA-N 1 1 346.435 0.031 20 30 ECEDMO C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985475580 748215621 /nfs/dbraw/zinc/21/56/21/748215621.db2.gz MBOHYSMELPRTFJ-AWEZNQCLSA-N 1 1 346.435 0.031 20 30 ECEDMO C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985475580 748215628 /nfs/dbraw/zinc/21/56/28/748215628.db2.gz MBOHYSMELPRTFJ-AWEZNQCLSA-N 1 1 346.435 0.031 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985475580 748215635 /nfs/dbraw/zinc/21/56/35/748215635.db2.gz MBOHYSMELPRTFJ-AWEZNQCLSA-N 1 1 346.435 0.031 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001029755264 748263233 /nfs/dbraw/zinc/26/32/33/748263233.db2.gz LGQJMBOKOUOOKT-HUUCEWRRSA-N 1 1 330.432 0.957 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)[nH]1 ZINC001027834144 748334214 /nfs/dbraw/zinc/33/42/14/748334214.db2.gz VCZSLTJUBQZNBF-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)[nH]1 ZINC001027834144 748334221 /nfs/dbraw/zinc/33/42/21/748334221.db2.gz VCZSLTJUBQZNBF-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO CN(C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001027832470 748340467 /nfs/dbraw/zinc/34/04/67/748340467.db2.gz FMFKBVRVZGNKNZ-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001027832470 748340472 /nfs/dbraw/zinc/34/04/72/748340472.db2.gz FMFKBVRVZGNKNZ-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000979779335 748379981 /nfs/dbraw/zinc/37/99/81/748379981.db2.gz RZXGVXKVTTTWDI-BZUAXINKSA-N 1 1 340.427 0.639 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCNC2=O)c[nH]1 ZINC001027835634 748386652 /nfs/dbraw/zinc/38/66/52/748386652.db2.gz HKTZRWSETGJKQR-CQSZACIVSA-N 1 1 330.392 0.106 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC001003471480 748589011 /nfs/dbraw/zinc/58/90/11/748589011.db2.gz JRUYKOCBEHXRCX-CXAGYDPISA-N 1 1 340.427 0.449 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029821572 748598284 /nfs/dbraw/zinc/59/82/84/748598284.db2.gz OLRPRYGUZMGVLU-HZPDHXFCSA-N 1 1 341.415 0.520 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cn(C)nn3)C2)c1 ZINC001029834792 748667042 /nfs/dbraw/zinc/66/70/42/748667042.db2.gz IORFXHJGFYZVPJ-OAHLLOKOSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cn(C)nn3)C2)c1 ZINC001029834792 748667048 /nfs/dbraw/zinc/66/70/48/748667048.db2.gz IORFXHJGFYZVPJ-OAHLLOKOSA-N 1 1 338.415 0.786 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCCCC[C@H](NCC#N)C1 ZINC001088326164 748729833 /nfs/dbraw/zinc/72/98/33/748729833.db2.gz ISNXLYQVYCMKCA-JKSUJKDBSA-N 1 1 332.452 0.698 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC000979975732 748751708 /nfs/dbraw/zinc/75/17/08/748751708.db2.gz BLYUWMHEDPELJR-ULQDDVLXSA-N 1 1 348.491 0.553 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2csnn2)C1 ZINC000979966707 748758526 /nfs/dbraw/zinc/75/85/26/748758526.db2.gz DCGLKOFWJCWBPA-OBJOEFQTSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2csnn2)C1 ZINC000979966707 748758530 /nfs/dbraw/zinc/75/85/30/748758530.db2.gz DCGLKOFWJCWBPA-OBJOEFQTSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000979967411 748759936 /nfs/dbraw/zinc/75/99/36/748759936.db2.gz KSCDIIJWSCASCB-QAETUUGQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000979967411 748759939 /nfs/dbraw/zinc/75/99/39/748759939.db2.gz KSCDIIJWSCASCB-QAETUUGQSA-N 1 1 347.459 0.664 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001003663915 748772814 /nfs/dbraw/zinc/77/28/14/748772814.db2.gz PWHFSHFDUWJXKK-LBPRGKRZSA-N 1 1 338.843 0.959 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3ccc(C(N)=O)nc3)C[C@H]2C1 ZINC000979986486 748780860 /nfs/dbraw/zinc/78/08/60/748780860.db2.gz LFYYOKPVGPQWDD-JYJNAYRXSA-N 1 1 340.427 0.573 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCO1 ZINC001003674889 748783850 /nfs/dbraw/zinc/78/38/50/748783850.db2.gz KYWXQHBHZVDEFY-NRKLIOEPSA-N 1 1 345.443 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCO1 ZINC001003674889 748783856 /nfs/dbraw/zinc/78/38/56/748783856.db2.gz KYWXQHBHZVDEFY-NRKLIOEPSA-N 1 1 345.443 0.511 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)c1 ZINC001027861636 748804430 /nfs/dbraw/zinc/80/44/30/748804430.db2.gz ZXBSWXDPFKJYOO-ZFWWWQNUSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)c1 ZINC001027861636 748804435 /nfs/dbraw/zinc/80/44/35/748804435.db2.gz ZXBSWXDPFKJYOO-ZFWWWQNUSA-N 1 1 346.362 0.886 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccnnc3)C2)C1=O ZINC001029853243 748834555 /nfs/dbraw/zinc/83/45/55/748834555.db2.gz ORJFIDJZCKKHHD-ZBFHGGJFSA-N 1 1 343.431 0.657 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817383 748886072 /nfs/dbraw/zinc/88/60/72/748886072.db2.gz GWNUZJINLMYODR-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1 ZINC000985697021 748888035 /nfs/dbraw/zinc/88/80/35/748888035.db2.gz OIYUNDNUCIAVSJ-NVXWUHKLSA-N 1 1 330.432 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnn(CC)n2)C1=O ZINC001027869636 748896556 /nfs/dbraw/zinc/89/65/56/748896556.db2.gz KKCZIYOAOZXOKF-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnn(CC)n2)C1=O ZINC001027869636 748896561 /nfs/dbraw/zinc/89/65/61/748896561.db2.gz KKCZIYOAOZXOKF-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2csnn2)C1 ZINC000980063250 748915411 /nfs/dbraw/zinc/91/54/11/748915411.db2.gz RMEUBHKKLKUQJY-OBJOEFQTSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2csnn2)C1 ZINC000980063250 748915418 /nfs/dbraw/zinc/91/54/18/748915418.db2.gz RMEUBHKKLKUQJY-OBJOEFQTSA-N 1 1 347.444 0.260 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cccnn3)CC2)C1=O ZINC000985717281 748946710 /nfs/dbraw/zinc/94/67/10/748946710.db2.gz QPCOZEZVOFJLAV-MRXNPFEDSA-N 1 1 343.431 0.800 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)C[C@@H]3CCOC3)C2)nn1 ZINC001029859485 748949975 /nfs/dbraw/zinc/94/99/75/748949975.db2.gz DEWBFLCOSHTMNV-GJZGRUSLSA-N 1 1 333.436 0.895 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000980081840 748951129 /nfs/dbraw/zinc/95/11/29/748951129.db2.gz NTEUGXPJZYNRER-KBRIMQKVSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nccn3C)C2)nn1 ZINC001029859701 748951830 /nfs/dbraw/zinc/95/18/30/748951830.db2.gz HKSWQAMVWHIGOM-CQSZACIVSA-N 1 1 343.435 0.792 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nccn3C)C2)nn1 ZINC001029859701 748951836 /nfs/dbraw/zinc/95/18/36/748951836.db2.gz HKSWQAMVWHIGOM-CQSZACIVSA-N 1 1 343.435 0.792 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000985741187 748988027 /nfs/dbraw/zinc/98/80/27/748988027.db2.gz HBPYVPMTZYSINZ-CQSZACIVSA-N 1 1 326.462 0.757 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)CCn3cncn3)CC2)cn1 ZINC000985758624 749026888 /nfs/dbraw/zinc/02/68/88/749026888.db2.gz YCONUDHPHLMOEH-UHFFFAOYSA-N 1 1 338.415 0.891 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCCNC3=O)C[C@H]2C1 ZINC000980141139 749052472 /nfs/dbraw/zinc/05/24/72/749052472.db2.gz MFRNMGVDJYKGNW-JYJNAYRXSA-N 1 1 332.448 0.642 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)C[C@H]2C1 ZINC000980153326 749077493 /nfs/dbraw/zinc/07/74/93/749077493.db2.gz WABUPUAWWBWQQM-IHRRRGAJSA-N 1 1 328.416 0.967 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@@H]3C2)c(F)c1 ZINC000980160253 749090613 /nfs/dbraw/zinc/09/06/13/749090613.db2.gz GSQVPCKCSYKVQX-NWANDNLSSA-N 1 1 344.390 0.899 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)cn3)C[C@@H]2C1 ZINC000980168829 749104713 /nfs/dbraw/zinc/10/47/13/749104713.db2.gz SRMTXDSPSVGSBQ-RRFJBIMHSA-N 1 1 328.416 0.634 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCCNc2cnc(C#N)cn2)C1 ZINC001114946240 749134177 /nfs/dbraw/zinc/13/41/77/749134177.db2.gz GOEHSFIZSRVLGJ-HIFRSBDPSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCCNc2cnc(C#N)cn2)C1 ZINC001114946240 749134180 /nfs/dbraw/zinc/13/41/80/749134180.db2.gz GOEHSFIZSRVLGJ-HIFRSBDPSA-N 1 1 346.435 0.766 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 ZINC000980207556 749185371 /nfs/dbraw/zinc/18/53/71/749185371.db2.gz KARBJMNZQUPSTI-ZNMIVQPWSA-N 1 1 346.431 0.120 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 ZINC000980207552 749185855 /nfs/dbraw/zinc/18/58/55/749185855.db2.gz KARBJMNZQUPSTI-RRFJBIMHSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]2C1 ZINC000980207772 749186973 /nfs/dbraw/zinc/18/69/73/749186973.db2.gz LDBYWYQUSFXCNB-SRVKXCTJSA-N 1 1 348.403 0.913 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)/C(C)=C\C)CC2)CC1 ZINC000985827846 749188364 /nfs/dbraw/zinc/18/83/64/749188364.db2.gz CMZWSXNWWXCPBC-BNCCVWRVSA-N 1 1 332.448 0.858 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]2C1 ZINC000980241213 749245626 /nfs/dbraw/zinc/24/56/26/749245626.db2.gz IORGMFWNENMGEK-CFVMTHIKSA-N 1 1 328.416 0.967 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 ZINC000980249703 749255133 /nfs/dbraw/zinc/25/51/33/749255133.db2.gz YLVOTRQOWIDCMY-RRFJBIMHSA-N 1 1 346.431 0.120 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C(N)=O)cn3)C[C@H]2C1 ZINC000980255301 749261715 /nfs/dbraw/zinc/26/17/15/749261715.db2.gz JHMDNRBEUCWOBP-SOUVJXGZSA-N 1 1 326.400 0.644 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCCNc2ccnc(C#N)n2)C1 ZINC001114946317 749271614 /nfs/dbraw/zinc/27/16/14/749271614.db2.gz ISXKRLJDHZQGTD-KBPBESRZSA-N 1 1 346.435 0.188 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCCNc2ccnc(C#N)n2)C1 ZINC001114946317 749271617 /nfs/dbraw/zinc/27/16/17/749271617.db2.gz ISXKRLJDHZQGTD-KBPBESRZSA-N 1 1 346.435 0.188 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3[nH]cnc3C)C2)C1=O ZINC000980268412 749278301 /nfs/dbraw/zinc/27/83/01/749278301.db2.gz GRZGUTIVVRHNAQ-ZBFHGGJFSA-N 1 1 345.447 0.580 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ocnc2CC)C1 ZINC001004192231 749299534 /nfs/dbraw/zinc/29/95/34/749299534.db2.gz KBHAXSQGDQCFNN-HNNXBMFYSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ocnc2CC)C1 ZINC001004192231 749299539 /nfs/dbraw/zinc/29/95/39/749299539.db2.gz KBHAXSQGDQCFNN-HNNXBMFYSA-N 1 1 344.415 0.523 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001059679657 749408649 /nfs/dbraw/zinc/40/86/49/749408649.db2.gz NWSVWUFKFFEVOM-QAPCUYQASA-N 1 1 348.447 0.873 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)c(C)c(C)[nH+]1 ZINC001105807836 761948580 /nfs/dbraw/zinc/94/85/80/761948580.db2.gz GRQUTHCMYKXDEJ-ZDUSSCGKSA-N 1 1 328.376 0.804 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCCNC3=O)C2)nc1 ZINC001029889792 749445700 /nfs/dbraw/zinc/44/57/00/749445700.db2.gz PCHJLFUWXCHRBF-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088461329 749478590 /nfs/dbraw/zinc/47/85/90/749478590.db2.gz BSBOXHQOORYIDP-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088461329 749478592 /nfs/dbraw/zinc/47/85/92/749478592.db2.gz BSBOXHQOORYIDP-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001004421592 749479018 /nfs/dbraw/zinc/47/90/18/749479018.db2.gz SFDQFXLWDPMGEX-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCN(C)C3=O)C2)cn1 ZINC001029893038 749480314 /nfs/dbraw/zinc/48/03/14/749480314.db2.gz YWPUHRGWVNTPAW-PBHICJAKSA-N 1 1 340.427 0.688 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001004441004 749500269 /nfs/dbraw/zinc/50/02/69/749500269.db2.gz AGSIETNIZCBAHD-FZMZJTMJSA-N 1 1 329.404 0.272 20 30 ECEDMO CCc1cc(NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)nc(C)[nH+]1 ZINC001105809049 761957814 /nfs/dbraw/zinc/95/78/14/761957814.db2.gz VMMIHSRLLVQMSR-CYBMUJFWSA-N 1 1 328.376 0.750 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC001029904390 749539248 /nfs/dbraw/zinc/53/92/48/749539248.db2.gz UTXZQTXEJKRRKX-ZBFHGGJFSA-N 1 1 345.447 0.601 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCCN2C(C)=O)C1 ZINC000980440948 749598632 /nfs/dbraw/zinc/59/86/32/749598632.db2.gz SQLNOAZKMWSTSR-ZIAGYGMSSA-N 1 1 329.828 0.519 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCCN2C(C)=O)C1 ZINC000980440948 749598635 /nfs/dbraw/zinc/59/86/35/749598635.db2.gz SQLNOAZKMWSTSR-ZIAGYGMSSA-N 1 1 329.828 0.519 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004554316 749616719 /nfs/dbraw/zinc/61/67/19/749616719.db2.gz WRLXMSZEIHNGRM-PMPSAXMXSA-N 1 1 335.448 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029921304 749622488 /nfs/dbraw/zinc/62/24/88/749622488.db2.gz GHUCIEROLZZVMG-SJORKVTESA-N 1 1 340.427 0.794 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029921304 749622494 /nfs/dbraw/zinc/62/24/94/749622494.db2.gz GHUCIEROLZZVMG-SJORKVTESA-N 1 1 340.427 0.794 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000986189892 749648591 /nfs/dbraw/zinc/64/85/91/749648591.db2.gz YFACRWZYIYZQGG-FZMZJTMJSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccnn1C ZINC001027943388 749658602 /nfs/dbraw/zinc/65/86/02/749658602.db2.gz MHDJPTADDMKPLD-WBVHZDCISA-N 1 1 329.448 0.598 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccnn1C ZINC001027943388 749658605 /nfs/dbraw/zinc/65/86/05/749658605.db2.gz MHDJPTADDMKPLD-WBVHZDCISA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cnn(CC)n1 ZINC001027943585 749660554 /nfs/dbraw/zinc/66/05/54/749660554.db2.gz OKWCRMCRUGJZEP-SJORKVTESA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cnn(CC)n1 ZINC001027943585 749660559 /nfs/dbraw/zinc/66/05/59/749660559.db2.gz OKWCRMCRUGJZEP-SJORKVTESA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cnns1 ZINC001027943560 749660789 /nfs/dbraw/zinc/66/07/89/749660789.db2.gz NVUYHTMDVTVLPU-ZFWWWQNUSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cnns1 ZINC001027943560 749660794 /nfs/dbraw/zinc/66/07/94/749660794.db2.gz NVUYHTMDVTVLPU-ZFWWWQNUSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C)ncn1 ZINC001027942275 749664445 /nfs/dbraw/zinc/66/44/45/749664445.db2.gz BFVVBGFDEWSVIP-MSOLQXFVSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C)ncn1 ZINC001027942275 749664448 /nfs/dbraw/zinc/66/44/48/749664448.db2.gz BFVVBGFDEWSVIP-MSOLQXFVSA-N 1 1 341.459 0.963 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001004600238 749671310 /nfs/dbraw/zinc/67/13/10/749671310.db2.gz CXKDINUSKPUCPW-HNNXBMFYSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2nc(C)ccc2=O)CC1 ZINC001004600684 749671538 /nfs/dbraw/zinc/67/15/38/749671538.db2.gz GVPRPTOUJWJNGW-QGZVFWFLSA-N 1 1 342.443 0.888 20 30 ECEDMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000980511975 749677164 /nfs/dbraw/zinc/67/71/64/749677164.db2.gz IXESKJUGBPZZMI-WDEREUQCSA-N 1 1 328.380 0.050 20 30 ECEDMO C[NH+]=C(NCCN1CCSCC1)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000262764583 749678481 /nfs/dbraw/zinc/67/84/81/749678481.db2.gz FQFPJIUCXHXIBI-UONOGXRCSA-N 1 1 325.526 0.825 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001004608685 749680145 /nfs/dbraw/zinc/68/01/45/749680145.db2.gz AVTBJNQYCLNPPC-MSOLQXFVSA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001004807670 749892081 /nfs/dbraw/zinc/89/20/81/749892081.db2.gz ICOAURUBLPHVMT-SMDDNHRTSA-N 1 1 342.407 0.583 20 30 ECEDMO C#CCC[NH+]1CCC2(CC1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@H](C)O2 ZINC001098633468 749948986 /nfs/dbraw/zinc/94/89/86/749948986.db2.gz IEOKEUDFQHROEF-AWEZNQCLSA-N 1 1 346.431 0.845 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)[nH]3)[C@H]2C)C1=O ZINC001088495604 749996449 /nfs/dbraw/zinc/99/64/49/749996449.db2.gz BNAOKTXJXXAJRS-ZLDLUXBVSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(C)[nH]3)[C@H]2C)C1=O ZINC001088495604 749996455 /nfs/dbraw/zinc/99/64/55/749996455.db2.gz BNAOKTXJXXAJRS-ZLDLUXBVSA-N 1 1 331.420 0.698 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001004965701 750078232 /nfs/dbraw/zinc/07/82/32/750078232.db2.gz KRSNFZDIZUVRKN-KPLDXPABSA-N 1 1 329.444 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001004965701 750078238 /nfs/dbraw/zinc/07/82/38/750078238.db2.gz KRSNFZDIZUVRKN-KPLDXPABSA-N 1 1 329.444 0.988 20 30 ECEDMO Cn1cc(C[N@H+](C)CC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC001029958222 750081912 /nfs/dbraw/zinc/08/19/12/750081912.db2.gz PRMCVWCWHHQLCA-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1cc(C[N@@H+](C)CC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC001029958222 750081914 /nfs/dbraw/zinc/08/19/14/750081914.db2.gz PRMCVWCWHHQLCA-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058846669 750115722 /nfs/dbraw/zinc/11/57/22/750115722.db2.gz BVEYKBHKAPWTRK-AWEZNQCLSA-N 1 1 325.453 0.478 20 30 ECEDMO CC(C)OCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 ZINC001098633867 750121505 /nfs/dbraw/zinc/12/15/05/750121505.db2.gz NGGSWJDXUNGVFL-DZGCQCFKSA-N 1 1 334.424 0.726 20 30 ECEDMO CC(C)OCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 ZINC001098633883 750122677 /nfs/dbraw/zinc/12/26/77/750122677.db2.gz NGGSWJDXUNGVFL-HIFRSBDPSA-N 1 1 334.424 0.726 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001058848493 750159253 /nfs/dbraw/zinc/15/92/53/750159253.db2.gz GIISDXCGACYLJC-HUUCEWRRSA-N 1 1 337.464 0.478 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088505477 750187142 /nfs/dbraw/zinc/18/71/42/750187142.db2.gz JMGXVOKHSSUQRB-AGIUHOORSA-N 1 1 346.269 0.805 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088505477 750187146 /nfs/dbraw/zinc/18/71/46/750187146.db2.gz JMGXVOKHSSUQRB-AGIUHOORSA-N 1 1 346.269 0.805 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3CCCOC3)CC2)C1=O ZINC000980827421 750216668 /nfs/dbraw/zinc/21/66/68/750216668.db2.gz CWZAFVXPJPUXDL-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3CCCOC3)CC2)C1=O ZINC000980827421 750216672 /nfs/dbraw/zinc/21/66/72/750216672.db2.gz CWZAFVXPJPUXDL-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]CCOC3CCC3)nn2)C1 ZINC001098634184 750265133 /nfs/dbraw/zinc/26/51/33/750265133.db2.gz PLGXCDPXPBSXKJ-ZFWWWQNUSA-N 1 1 346.435 0.870 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3cc(C)on3)CC2)C1=O ZINC000980859192 750273715 /nfs/dbraw/zinc/27/37/15/750273715.db2.gz QIUWQYFXYHWPBZ-MRXNPFEDSA-N 1 1 346.431 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3cc(C)on3)CC2)C1=O ZINC000980859192 750273721 /nfs/dbraw/zinc/27/37/21/750273721.db2.gz QIUWQYFXYHWPBZ-MRXNPFEDSA-N 1 1 346.431 0.847 20 30 ECEDMO COc1ccc(C[N@@H+]2CCCN(C(=O)CC(N)=O)CC2)cc1C#N ZINC000980872747 750278734 /nfs/dbraw/zinc/27/87/34/750278734.db2.gz SYECHCRUGVQEFG-UHFFFAOYSA-N 1 1 330.388 0.477 20 30 ECEDMO COc1ccc(C[N@H+]2CCCN(C(=O)CC(N)=O)CC2)cc1C#N ZINC000980872747 750278738 /nfs/dbraw/zinc/27/87/38/750278738.db2.gz SYECHCRUGVQEFG-UHFFFAOYSA-N 1 1 330.388 0.477 20 30 ECEDMO Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058857519 750354776 /nfs/dbraw/zinc/35/47/76/750354776.db2.gz RWAKQNSGJNSEQA-HOCLYGCPSA-N 1 1 329.404 0.027 20 30 ECEDMO Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058857519 750354785 /nfs/dbraw/zinc/35/47/85/750354785.db2.gz RWAKQNSGJNSEQA-HOCLYGCPSA-N 1 1 329.404 0.027 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cc[nH]c(=O)c3)CC2)C1=O ZINC000980957962 750396900 /nfs/dbraw/zinc/39/69/00/750396900.db2.gz NZSAXTWJKYYUQK-HNNXBMFYSA-N 1 1 344.415 0.722 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cc[nH]c(=O)c3)CC2)C1=O ZINC000980957962 750396907 /nfs/dbraw/zinc/39/69/07/750396907.db2.gz NZSAXTWJKYYUQK-HNNXBMFYSA-N 1 1 344.415 0.722 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCCN(C(=O)COC)C1 ZINC000986832589 750406274 /nfs/dbraw/zinc/40/62/74/750406274.db2.gz ADZOWUQUBIHBLR-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCCN(C(=O)COC)C1 ZINC000986832589 750406277 /nfs/dbraw/zinc/40/62/77/750406277.db2.gz ADZOWUQUBIHBLR-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)COCc3ccncc3)C2)nn1 ZINC001105349889 750444435 /nfs/dbraw/zinc/44/44/35/750444435.db2.gz SGHNJEMVWMEMLQ-UHFFFAOYSA-N 1 1 342.403 0.549 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)n1 ZINC001028078835 750546952 /nfs/dbraw/zinc/54/69/52/750546952.db2.gz SUEKQEAUKMTQLX-SNVBAGLBSA-N 1 1 331.405 0.538 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)n1 ZINC001028078835 750546954 /nfs/dbraw/zinc/54/69/54/750546954.db2.gz SUEKQEAUKMTQLX-SNVBAGLBSA-N 1 1 331.405 0.538 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001005866424 750745260 /nfs/dbraw/zinc/74/52/60/750745260.db2.gz MTYSVWGLLVMUAR-OLZOCXBDSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001005941580 750824315 /nfs/dbraw/zinc/82/43/15/750824315.db2.gz BDEKVOYHWUWTKI-QWHCGFSZSA-N 1 1 343.431 0.947 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CC[NH+]([C@H]3CCNC3=O)CC2)c1 ZINC001005968381 750864549 /nfs/dbraw/zinc/86/45/49/750864549.db2.gz NBKOJWHSLMQOBP-INIZCTEOSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)[C@@H]4CCOC4)C3)C2)C1=O ZINC000981659239 750939840 /nfs/dbraw/zinc/93/98/40/750939840.db2.gz DBFHJHHGXFOTCM-CVEARBPZSA-N 1 1 347.459 0.734 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CCCN1C(=O)CNC1=O)C2 ZINC000981669621 750948286 /nfs/dbraw/zinc/94/82/86/750948286.db2.gz QQTWPZIAMHJYCC-CYBMUJFWSA-N 1 1 347.419 0.012 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccn(C)c(=O)c1)C2 ZINC000981670371 750950602 /nfs/dbraw/zinc/95/06/02/750950602.db2.gz SQWWTTXGHIOCGG-CQSZACIVSA-N 1 1 328.416 0.969 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)N2CCC2)C3)[nH]1 ZINC000981719134 751009267 /nfs/dbraw/zinc/00/92/67/751009267.db2.gz WVCPGZGGOKEKEC-UHFFFAOYSA-N 1 1 341.415 0.657 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)c4ncc[nH]4)C3)C2)C1=O ZINC000981758599 751081255 /nfs/dbraw/zinc/08/12/55/751081255.db2.gz WGZYOHQRMHOSKT-CQSZACIVSA-N 1 1 343.431 0.735 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000981784224 751097460 /nfs/dbraw/zinc/09/74/60/751097460.db2.gz JTRDLEUOXBAUKF-UHFFFAOYSA-N 1 1 330.436 0.989 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)[C@H]2CCOC2)C1 ZINC001006195699 751110860 /nfs/dbraw/zinc/11/08/60/751110860.db2.gz GFZDTLJLOOKDKO-YCPHGPKFSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)[C@H]2CCOC2)C1 ZINC001006195699 751110863 /nfs/dbraw/zinc/11/08/63/751110863.db2.gz GFZDTLJLOOKDKO-YCPHGPKFSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001028135128 751175205 /nfs/dbraw/zinc/17/52/05/751175205.db2.gz MILOKJXTQRSIRZ-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CCN1CCCC2(CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)C1 ZINC000981842896 751183625 /nfs/dbraw/zinc/18/36/25/751183625.db2.gz OUKUABDUVFMHLO-UHFFFAOYSA-N 1 1 333.476 0.902 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC001028146488 751225706 /nfs/dbraw/zinc/22/57/06/751225706.db2.gz HNAUGWJRQQWVRB-ZNMIVQPWSA-N 1 1 349.431 0.307 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001006312198 751230079 /nfs/dbraw/zinc/23/00/79/751230079.db2.gz AGPVBTSZZKFWSX-PBHICJAKSA-N 1 1 342.443 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001006312198 751230086 /nfs/dbraw/zinc/23/00/86/751230086.db2.gz AGPVBTSZZKFWSX-PBHICJAKSA-N 1 1 342.443 0.618 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000981878720 751239153 /nfs/dbraw/zinc/23/91/53/751239153.db2.gz VDAMZDPKBLAHGZ-OAHLLOKOSA-N 1 1 332.448 0.725 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C[C@H]2CCOC2)C1 ZINC001006323685 751245904 /nfs/dbraw/zinc/24/59/04/751245904.db2.gz ZDPUVIPJQWQQLC-UXLLHSPISA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C[C@H]2CCOC2)C1 ZINC001006323685 751245908 /nfs/dbraw/zinc/24/59/08/751245908.db2.gz ZDPUVIPJQWQQLC-UXLLHSPISA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cncc(-n4ccnn4)c3)C2)C1 ZINC000981917510 751275452 /nfs/dbraw/zinc/27/54/52/751275452.db2.gz BOMXQNFJRDXATQ-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NC)C3)cc1 ZINC000981930177 751276866 /nfs/dbraw/zinc/27/68/66/751276866.db2.gz FPNYLOUXWXALKE-UHFFFAOYSA-N 1 1 325.412 0.952 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NC)C3)cc1 ZINC000981930177 751276871 /nfs/dbraw/zinc/27/68/71/751276871.db2.gz FPNYLOUXWXALKE-UHFFFAOYSA-N 1 1 325.412 0.952 20 30 ECEDMO N#Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccn[nH]3)CCO2)c1 ZINC001051458325 762117055 /nfs/dbraw/zinc/11/70/55/762117055.db2.gz UFUAEQFHSRBHGD-OAHLLOKOSA-N 1 1 325.372 0.912 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007338977 752305183 /nfs/dbraw/zinc/30/51/83/752305183.db2.gz WGQWJWWYJYZOGP-KGLIPLIRSA-N 1 1 329.404 0.367 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007338977 752305192 /nfs/dbraw/zinc/30/51/92/752305192.db2.gz WGQWJWWYJYZOGP-KGLIPLIRSA-N 1 1 329.404 0.367 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001059909752 752399056 /nfs/dbraw/zinc/39/90/56/752399056.db2.gz CAECZMKDDLTMKA-HIFRSBDPSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2[C@H]2CCN(C)C2=O)CC1 ZINC001028334038 752413276 /nfs/dbraw/zinc/41/32/76/752413276.db2.gz VCLMCWLYPKNFBQ-IRXDYDNUSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000988627149 752414511 /nfs/dbraw/zinc/41/45/11/752414511.db2.gz GFLAVTVJBBEJPT-WBVHZDCISA-N 1 1 344.459 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000988627149 752414516 /nfs/dbraw/zinc/41/45/16/752414516.db2.gz GFLAVTVJBBEJPT-WBVHZDCISA-N 1 1 344.459 0.941 20 30 ECEDMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212028539 752421117 /nfs/dbraw/zinc/42/11/17/752421117.db2.gz UMPRAAGWAWJKKM-HZPDHXFCSA-N 1 1 344.415 0.400 20 30 ECEDMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212028539 752421119 /nfs/dbraw/zinc/42/11/19/752421119.db2.gz UMPRAAGWAWJKKM-HZPDHXFCSA-N 1 1 344.415 0.400 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212033696 752422432 /nfs/dbraw/zinc/42/24/32/752422432.db2.gz NFPBQOZMYOWFLR-RBSFLKMASA-N 1 1 341.452 0.260 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212033696 752422441 /nfs/dbraw/zinc/42/24/41/752422441.db2.gz NFPBQOZMYOWFLR-RBSFLKMASA-N 1 1 341.452 0.260 20 30 ECEDMO COCCN(CCNC(=O)C[N@@H+](C)C(C)C)c1cncc(C#N)n1 ZINC001126361176 752442825 /nfs/dbraw/zinc/44/28/25/752442825.db2.gz VAZJYEGQNCETHE-UHFFFAOYSA-N 1 1 334.424 0.257 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001059911020 752453013 /nfs/dbraw/zinc/45/30/13/752453013.db2.gz CGNKUTURDMRQSJ-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001059911020 752453019 /nfs/dbraw/zinc/45/30/19/752453019.db2.gz CGNKUTURDMRQSJ-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001059911390 752457063 /nfs/dbraw/zinc/45/70/63/752457063.db2.gz KILZIIUSIZCITG-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001059911390 752457067 /nfs/dbraw/zinc/45/70/67/752457067.db2.gz KILZIIUSIZCITG-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(C)n(C)n2)C1 ZINC001007519416 752475386 /nfs/dbraw/zinc/47/53/86/752475386.db2.gz RAMKCCHWKAUBQC-AEFFLSMTSA-N 1 1 343.475 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(C)n(C)n2)C1 ZINC001007519416 752475395 /nfs/dbraw/zinc/47/53/95/752475395.db2.gz RAMKCCHWKAUBQC-AEFFLSMTSA-N 1 1 343.475 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ncnn2CC)C1 ZINC001007519376 752475909 /nfs/dbraw/zinc/47/59/09/752475909.db2.gz PUEKYFKTTMSRHC-CVEARBPZSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ncnn2CC)C1 ZINC001007519376 752475912 /nfs/dbraw/zinc/47/59/12/752475912.db2.gz PUEKYFKTTMSRHC-CVEARBPZSA-N 1 1 344.463 0.476 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001058982943 752545658 /nfs/dbraw/zinc/54/56/58/752545658.db2.gz LXZDFGCUURTYPJ-GJZGRUSLSA-N 1 1 342.447 0.761 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)cc1 ZINC001083447771 752594408 /nfs/dbraw/zinc/59/44/08/752594408.db2.gz IYSQRGFWXMJUKB-CABCVRRESA-N 1 1 341.371 0.287 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)cc1 ZINC001083447771 752594413 /nfs/dbraw/zinc/59/44/13/752594413.db2.gz IYSQRGFWXMJUKB-CABCVRRESA-N 1 1 341.371 0.287 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)C)C2)C1 ZINC001007605212 752618061 /nfs/dbraw/zinc/61/80/61/752618061.db2.gz NTQREDZLNVJPAG-QFBILLFUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)C)C2)C1 ZINC001007605212 752618064 /nfs/dbraw/zinc/61/80/64/752618064.db2.gz NTQREDZLNVJPAG-QFBILLFUSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cncs3)C2)C1=O ZINC001028432639 752626398 /nfs/dbraw/zinc/62/63/98/752626398.db2.gz GKXOKCNKZXLQFZ-OLZOCXBDSA-N 1 1 334.445 0.982 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cncs3)C2)C1=O ZINC001028432638 752626628 /nfs/dbraw/zinc/62/66/28/752626628.db2.gz GKXOKCNKZXLQFZ-CHWSQXEVSA-N 1 1 334.445 0.982 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cncs3)C2)C1=O ZINC001028432641 752626646 /nfs/dbraw/zinc/62/66/46/752626646.db2.gz GKXOKCNKZXLQFZ-STQMWFEESA-N 1 1 334.445 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cocn3)[C@@H]2C1 ZINC001021231384 752681189 /nfs/dbraw/zinc/68/11/89/752681189.db2.gz DESHNMWQTRXZSZ-CWRNSKLLSA-N 1 1 342.399 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cocn3)[C@@H]2C1 ZINC001021231384 752681193 /nfs/dbraw/zinc/68/11/93/752681193.db2.gz DESHNMWQTRXZSZ-CWRNSKLLSA-N 1 1 342.399 0.445 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cc1 ZINC001028448527 752684228 /nfs/dbraw/zinc/68/42/28/752684228.db2.gz IVXFXRRCIRFYSA-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(=O)NC)nc1 ZINC001098246885 752733370 /nfs/dbraw/zinc/73/33/70/752733370.db2.gz YTTZCRVRFBTGIM-ZCDTZLGTSA-N 1 1 326.400 0.533 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(=O)NC)nc1 ZINC001098246885 752733376 /nfs/dbraw/zinc/73/33/76/752733376.db2.gz YTTZCRVRFBTGIM-ZCDTZLGTSA-N 1 1 326.400 0.533 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001075922494 752768967 /nfs/dbraw/zinc/76/89/67/752768967.db2.gz VLIJXJCHYPHKNP-KKUMJFAQSA-N 1 1 325.453 0.930 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)[nH]1 ZINC001028486597 752821857 /nfs/dbraw/zinc/82/18/57/752821857.db2.gz HZSWWFXQGULXDJ-CYBMUJFWSA-N 1 1 329.404 0.560 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028486485 752821911 /nfs/dbraw/zinc/82/19/11/752821911.db2.gz GNKLJEXAKXLWOB-BBRMVZONSA-N 1 1 341.415 0.725 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)c[nH]1 ZINC001028488724 752824283 /nfs/dbraw/zinc/82/42/83/752824283.db2.gz FYNBVXNSBCEGPV-ZDUSSCGKSA-N 1 1 343.431 0.997 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028491664 752836169 /nfs/dbraw/zinc/83/61/69/752836169.db2.gz GDBGMKNEZNUBNJ-XJKSGUPXSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cc(OC)no3)C2)C1=O ZINC001028492349 752838450 /nfs/dbraw/zinc/83/84/50/752838450.db2.gz LJXSPHYOSKZHAK-CHWSQXEVSA-N 1 1 348.403 0.522 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@]2(C)C1 ZINC000982584299 752980915 /nfs/dbraw/zinc/98/09/15/752980915.db2.gz VIIXGMMFESTKEI-KDURUIRLSA-N 1 1 342.443 0.768 20 30 ECEDMO O=C(NC[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COC(=O)N1 ZINC001028519693 753018503 /nfs/dbraw/zinc/01/85/03/753018503.db2.gz RMEWLYUGRGQTAK-HOCLYGCPSA-N 1 1 345.374 0.724 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000982603446 753030376 /nfs/dbraw/zinc/03/03/76/753030376.db2.gz JHHLLHFFEXCXPP-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001028519984 753048167 /nfs/dbraw/zinc/04/81/67/753048167.db2.gz WZHNSPNKFIGUOY-GJZGRUSLSA-N 1 1 328.372 0.605 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC000988971124 753094081 /nfs/dbraw/zinc/09/40/81/753094081.db2.gz ZJNYKYYGBXWPMF-OLZOCXBDSA-N 1 1 329.408 0.590 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3nc4ncccn4n3)C[C@@]2(C)C1 ZINC000982660785 753227999 /nfs/dbraw/zinc/22/79/99/753227999.db2.gz OOWXMIZJIMFIFI-HDICACEKSA-N 1 1 338.415 0.932 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462650 753286945 /nfs/dbraw/zinc/28/69/45/753286945.db2.gz SSDJQRXWPNMPJQ-NXHRZFHOSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462650 753286949 /nfs/dbraw/zinc/28/69/49/753286949.db2.gz SSDJQRXWPNMPJQ-NXHRZFHOSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000982682130 753291236 /nfs/dbraw/zinc/29/12/36/753291236.db2.gz WNWRHCCGWJRFSS-IRXDYDNUSA-N 1 1 343.427 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000982682130 753291242 /nfs/dbraw/zinc/29/12/42/753291242.db2.gz WNWRHCCGWJRFSS-IRXDYDNUSA-N 1 1 343.427 0.884 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(-c3ccoc3)no2)C1 ZINC001051494491 762205286 /nfs/dbraw/zinc/20/52/86/762205286.db2.gz ISCKTJWARSGBPX-AAEUAGOBSA-N 1 1 345.359 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)[C@H]2CCCO2)C(C)(C)C1 ZINC001008235374 753491421 /nfs/dbraw/zinc/49/14/21/753491421.db2.gz BSBBRHZXNJQCLG-XHSDSOJGSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)[C@H]2CCCO2)C(C)(C)C1 ZINC001008235374 753491426 /nfs/dbraw/zinc/49/14/26/753491426.db2.gz BSBBRHZXNJQCLG-XHSDSOJGSA-N 1 1 347.459 0.616 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+]C1CC(CNC(=O)CN2CCCC2)C1 ZINC001100985048 753512925 /nfs/dbraw/zinc/51/29/25/753512925.db2.gz ZYRMOORUWQDPJP-UHFFFAOYSA-N 1 1 349.479 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@@H]2CCCO2)CC1(C)C ZINC001008274239 753536359 /nfs/dbraw/zinc/53/63/59/753536359.db2.gz AYQUUUDCPIHVGG-JYJNAYRXSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@@H]2CCCO2)CC1(C)C ZINC001008274239 753536361 /nfs/dbraw/zinc/53/63/61/753536361.db2.gz AYQUUUDCPIHVGG-JYJNAYRXSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000982785502 753556893 /nfs/dbraw/zinc/55/68/93/753556893.db2.gz BFGGFWFCWBLSAM-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000982785502 753556900 /nfs/dbraw/zinc/55/69/00/753556900.db2.gz BFGGFWFCWBLSAM-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000982786276 753566092 /nfs/dbraw/zinc/56/60/92/753566092.db2.gz FOFKOHMKZHYPSU-HZPDHXFCSA-N 1 1 340.427 0.593 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098680569 753572839 /nfs/dbraw/zinc/57/28/39/753572839.db2.gz HJEUPKOLACXTBA-SJORKVTESA-N 1 1 344.463 0.505 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)nn1 ZINC001098649052 753632710 /nfs/dbraw/zinc/63/27/10/753632710.db2.gz KANVNUAHFSBEHN-CVEARBPZSA-N 1 1 348.451 0.048 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)nn1 ZINC001098649053 753632993 /nfs/dbraw/zinc/63/29/93/753632993.db2.gz KANVNUAHFSBEHN-HOTGVXAUSA-N 1 1 348.451 0.048 20 30 ECEDMO Cn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083364900 753693417 /nfs/dbraw/zinc/69/34/17/753693417.db2.gz MGGFMHQTVNSMFN-ZBFHGGJFSA-N 1 1 325.372 0.267 20 30 ECEDMO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083364900 753693422 /nfs/dbraw/zinc/69/34/22/753693422.db2.gz MGGFMHQTVNSMFN-ZBFHGGJFSA-N 1 1 325.372 0.267 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)C1 ZINC000989390508 753763161 /nfs/dbraw/zinc/76/31/61/753763161.db2.gz IVENRRVIPCBTMN-PVAVHDDUSA-N 1 1 347.459 0.615 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)C1 ZINC000989390508 753763167 /nfs/dbraw/zinc/76/31/67/753763167.db2.gz IVENRRVIPCBTMN-PVAVHDDUSA-N 1 1 347.459 0.615 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001105558584 753828821 /nfs/dbraw/zinc/82/88/21/753828821.db2.gz YLJQHXOLXNQDTM-DOMZBBRYSA-N 1 1 330.436 0.749 20 30 ECEDMO CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583149 753864738 /nfs/dbraw/zinc/86/47/38/753864738.db2.gz KXVUQRIPKHPFCD-ZIAGYGMSSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cnn(CC)n2)C1 ZINC001028601036 753876617 /nfs/dbraw/zinc/87/66/17/753876617.db2.gz HOJQBWYGPWWUCE-WBVHZDCISA-N 1 1 344.463 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cnn(CC)n2)C1 ZINC001028601036 753876622 /nfs/dbraw/zinc/87/66/22/753876622.db2.gz HOJQBWYGPWWUCE-WBVHZDCISA-N 1 1 344.463 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(C)s2)C1 ZINC001028602088 753883247 /nfs/dbraw/zinc/88/32/47/753883247.db2.gz WUHAUKBZNOLOPR-GJZGRUSLSA-N 1 1 347.488 0.882 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(C)s2)C1 ZINC001028602088 753883250 /nfs/dbraw/zinc/88/32/50/753883250.db2.gz WUHAUKBZNOLOPR-GJZGRUSLSA-N 1 1 347.488 0.882 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001008570550 753923105 /nfs/dbraw/zinc/92/31/05/753923105.db2.gz LBOPQGKVEKYDLJ-HZPDHXFCSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001008570550 753923110 /nfs/dbraw/zinc/92/31/10/753923110.db2.gz LBOPQGKVEKYDLJ-HZPDHXFCSA-N 1 1 345.447 0.559 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001028624740 753967187 /nfs/dbraw/zinc/96/71/87/753967187.db2.gz GGZOJNAAYCKNNU-GJZGRUSLSA-N 1 1 330.432 0.919 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC000989477390 754007480 /nfs/dbraw/zinc/00/74/80/754007480.db2.gz INRCXUJWMAUNRG-UHFFFAOYSA-N 1 1 330.392 0.532 20 30 ECEDMO C[C@@H](CCNC(=O)CSCC#N)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001075678137 754016300 /nfs/dbraw/zinc/01/63/00/754016300.db2.gz NIKWRAYQZFDUPO-QWHCGFSZSA-N 1 1 326.466 0.738 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)[nH]3)C[C@H]2C)nn1 ZINC000989536900 754081084 /nfs/dbraw/zinc/08/10/84/754081084.db2.gz PMNMDIJQWIKGIA-PWSUYJOCSA-N 1 1 330.396 0.283 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cnn(CC)n3)C[C@H]2C)nn1 ZINC000989537073 754081377 /nfs/dbraw/zinc/08/13/77/754081377.db2.gz RJFVPDFNMKPUJQ-CHWSQXEVSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nonc3C)C[C@@H]2C)nn1 ZINC000989544476 754093120 /nfs/dbraw/zinc/09/31/20/754093120.db2.gz RVHYXZCNSQSZCL-AAEUAGOBSA-N 1 1 345.407 0.938 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CC3(CO2)CCN(C(=O)[C@H](C)C#N)CC3)[nH]1 ZINC000982888568 754099372 /nfs/dbraw/zinc/09/93/72/754099372.db2.gz DCHAODXTVHMOOR-OCCSQVGLSA-N 1 1 346.435 0.760 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001008800138 754131588 /nfs/dbraw/zinc/13/15/88/754131588.db2.gz NXWBRBUTAPHRDT-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001008800138 754131592 /nfs/dbraw/zinc/13/15/92/754131592.db2.gz NXWBRBUTAPHRDT-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC1 ZINC000989574787 754138396 /nfs/dbraw/zinc/13/83/96/754138396.db2.gz ULFLEODOJVUVEU-UHFFFAOYSA-N 1 1 325.372 0.902 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC1 ZINC000989574787 754138401 /nfs/dbraw/zinc/13/84/01/754138401.db2.gz ULFLEODOJVUVEU-UHFFFAOYSA-N 1 1 325.372 0.902 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccsn2)C1 ZINC000982919885 754196192 /nfs/dbraw/zinc/19/61/92/754196192.db2.gz ASNSKXJGKMSIDQ-ZFWWWQNUSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccsn2)C1 ZINC000982919885 754196197 /nfs/dbraw/zinc/19/61/97/754196197.db2.gz ASNSKXJGKMSIDQ-ZFWWWQNUSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccns2)C1 ZINC000982921210 754200271 /nfs/dbraw/zinc/20/02/71/754200271.db2.gz HFACDLXCTDRHPG-KBPBESRZSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccns2)C1 ZINC000982921210 754200278 /nfs/dbraw/zinc/20/02/78/754200278.db2.gz HFACDLXCTDRHPG-KBPBESRZSA-N 1 1 346.456 0.819 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001008911878 754299862 /nfs/dbraw/zinc/29/98/62/754299862.db2.gz WRALSAQIMQRNKL-APIJFGDWSA-N 1 1 335.448 0.350 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001008911878 754299871 /nfs/dbraw/zinc/29/98/71/754299871.db2.gz WRALSAQIMQRNKL-APIJFGDWSA-N 1 1 335.448 0.350 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000983009302 754415807 /nfs/dbraw/zinc/41/58/07/754415807.db2.gz KXELDXJOBIVWLL-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001009012351 754425824 /nfs/dbraw/zinc/42/58/24/754425824.db2.gz DSXUKNTXPJOASB-GJZGRUSLSA-N 1 1 331.420 0.532 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001009012351 754425829 /nfs/dbraw/zinc/42/58/29/754425829.db2.gz DSXUKNTXPJOASB-GJZGRUSLSA-N 1 1 331.420 0.532 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1Cl ZINC001105869566 762305092 /nfs/dbraw/zinc/30/50/92/762305092.db2.gz WKQGSJXLHZKGNR-GFCCVEGCSA-N 1 1 339.827 0.836 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cnc3sccn3c2=O)C1 ZINC001028670906 754532888 /nfs/dbraw/zinc/53/28/88/754532888.db2.gz VXWBJZUREKVYCK-GFCCVEGCSA-N 1 1 330.413 0.831 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000983075803 754562725 /nfs/dbraw/zinc/56/27/25/754562725.db2.gz PJIPHRYGVHCVRB-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000983075803 754562730 /nfs/dbraw/zinc/56/27/30/754562730.db2.gz PJIPHRYGVHCVRB-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)COCC)C1 ZINC001059083618 754570895 /nfs/dbraw/zinc/57/08/95/754570895.db2.gz QNOOZYKZTRCXFN-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)COCC)C1 ZINC001059083618 754570899 /nfs/dbraw/zinc/57/08/99/754570899.db2.gz QNOOZYKZTRCXFN-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4ccn[nH]4)CCC[C@H]23)C1=O ZINC000989969041 754602786 /nfs/dbraw/zinc/60/27/86/754602786.db2.gz GBGROIZWYBPWQP-MPGHIAIKSA-N 1 1 343.431 0.923 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCCNC3=O)C2)nc1 ZINC001009252804 754711562 /nfs/dbraw/zinc/71/15/62/754711562.db2.gz KUULJUVHKNCCPN-ZBFHGGJFSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)nc1 ZINC001009252804 754711564 /nfs/dbraw/zinc/71/15/64/754711564.db2.gz KUULJUVHKNCCPN-ZBFHGGJFSA-N 1 1 326.400 0.536 20 30 ECEDMO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC001051556274 762332665 /nfs/dbraw/zinc/33/26/65/762332665.db2.gz TVHPPMARZSWOMN-CYBMUJFWSA-N 1 1 329.360 0.814 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990249606 754876504 /nfs/dbraw/zinc/87/65/04/754876504.db2.gz FSLIBJNTSCXYBH-KHIZAZIESA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1)c1ncccn1 ZINC001051563229 762345542 /nfs/dbraw/zinc/34/55/42/762345542.db2.gz QLEZHWZYRXACAR-DOMZBBRYSA-N 1 1 340.387 0.868 20 30 ECEDMO O=C(NC[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC1=O ZINC001028734993 754919137 /nfs/dbraw/zinc/91/91/37/754919137.db2.gz FKZXDACETVAYKP-WBVHZDCISA-N 1 1 343.402 0.751 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990286111 754922026 /nfs/dbraw/zinc/92/20/26/754922026.db2.gz AXWJODAZMXAXCX-NVXWUHKLSA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990286111 754922027 /nfs/dbraw/zinc/92/20/27/754922027.db2.gz AXWJODAZMXAXCX-NVXWUHKLSA-N 1 1 339.403 0.942 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H]2CCCNC2=O)CC3)c[nH]1 ZINC000990289044 754926687 /nfs/dbraw/zinc/92/66/87/754926687.db2.gz NNEDWAITXOVOIZ-DAYGRLMNSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H]2CCCNC2=O)CC3)c[nH]1 ZINC000990289047 754927008 /nfs/dbraw/zinc/92/70/08/754927008.db2.gz NNEDWAITXOVOIZ-MPGHIAIKSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)[nH]1 ZINC001075698717 755024759 /nfs/dbraw/zinc/02/47/59/755024759.db2.gz HMIWTCXXLPWROY-SWLSCSKDSA-N 1 1 327.388 0.265 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)[nH]1 ZINC001075698717 755024761 /nfs/dbraw/zinc/02/47/61/755024761.db2.gz HMIWTCXXLPWROY-SWLSCSKDSA-N 1 1 327.388 0.265 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028774040 755066483 /nfs/dbraw/zinc/06/64/83/755066483.db2.gz RGNNBNAMQNUIPH-NHYWBVRUSA-N 1 1 345.378 0.317 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028774040 755066487 /nfs/dbraw/zinc/06/64/87/755066487.db2.gz RGNNBNAMQNUIPH-NHYWBVRUSA-N 1 1 345.378 0.317 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3conc3C)C2)C1=O ZINC001028780899 755095812 /nfs/dbraw/zinc/09/58/12/755095812.db2.gz WXHGLJSHEIOEIS-UKRRQHHQSA-N 1 1 332.404 0.822 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000983307842 755126115 /nfs/dbraw/zinc/12/61/15/755126115.db2.gz YBTBZUXMYKYYJV-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC001028792756 755140930 /nfs/dbraw/zinc/14/09/30/755140930.db2.gz MDHNBMPTTLGPOS-MRXNPFEDSA-N 1 1 340.427 0.737 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCN3C)C2)C1=O ZINC000983324107 755213102 /nfs/dbraw/zinc/21/31/02/755213102.db2.gz ZHXKXVZKOVDZDC-YHUYYLMFSA-N 1 1 334.464 0.352 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3ccnc3)C2)C1=O ZINC001009716478 755290645 /nfs/dbraw/zinc/29/06/45/755290645.db2.gz LNTZFXHBBZNRQM-CABCVRRESA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ccnc3)C2)C1=O ZINC001009716478 755290647 /nfs/dbraw/zinc/29/06/47/755290647.db2.gz LNTZFXHBBZNRQM-CABCVRRESA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)nn1 ZINC001028851655 755308815 /nfs/dbraw/zinc/30/88/15/755308815.db2.gz SPKSWPFCSYIIFY-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001028852100 755310219 /nfs/dbraw/zinc/31/02/19/755310219.db2.gz FIPMPJKFWOBYJT-OLZOCXBDSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3snnc3C)C2)nn1 ZINC001028852488 755310978 /nfs/dbraw/zinc/31/09/78/755310978.db2.gz JVOHMHFGMFNYRW-GFCCVEGCSA-N 1 1 347.448 0.876 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3snnc3C)C2)nn1 ZINC001028852488 755310983 /nfs/dbraw/zinc/31/09/83/755310983.db2.gz JVOHMHFGMFNYRW-GFCCVEGCSA-N 1 1 347.448 0.876 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001028858419 755324548 /nfs/dbraw/zinc/32/45/48/755324548.db2.gz QRVIYQSDRBKBHJ-GXTWGEPZSA-N 1 1 334.424 0.170 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001028869587 755349028 /nfs/dbraw/zinc/34/90/28/755349028.db2.gz XXTHCHRPDFRIAC-ZDUSSCGKSA-N 1 1 327.388 0.406 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990630506 755522207 /nfs/dbraw/zinc/52/22/07/755522207.db2.gz NXVXIVXUDCNWES-GFCCVEGCSA-N 1 1 329.828 0.423 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990630506 755522208 /nfs/dbraw/zinc/52/22/08/755522208.db2.gz NXVXIVXUDCNWES-GFCCVEGCSA-N 1 1 329.828 0.423 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c(C)nc[nH]c3=O)[C@@H]2C1 ZINC001075983844 755566490 /nfs/dbraw/zinc/56/64/90/755566490.db2.gz VOCOJDXBXLWLNE-GOEBONIOSA-N 1 1 328.416 0.979 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC001075993252 755613087 /nfs/dbraw/zinc/61/30/87/755613087.db2.gz LKMGKLKPQZZOIY-SWLSCSKDSA-N 1 1 340.383 0.582 20 30 ECEDMO C#CCN1CCC2(CC1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001098655273 755619075 /nfs/dbraw/zinc/61/90/75/755619075.db2.gz JRRWQNRKJFXJTH-MRXNPFEDSA-N 1 1 331.460 0.797 20 30 ECEDMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010097202 755648425 /nfs/dbraw/zinc/64/84/25/755648425.db2.gz PQVDDKFBSTUKBK-OAHLLOKOSA-N 1 1 344.806 0.569 20 30 ECEDMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010097202 755648426 /nfs/dbraw/zinc/64/84/26/755648426.db2.gz PQVDDKFBSTUKBK-OAHLLOKOSA-N 1 1 344.806 0.569 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2COc3ccccc3O2)[C@@H](O)C1 ZINC001083494158 755696086 /nfs/dbraw/zinc/69/60/86/755696086.db2.gz MHMLARDQARPMAP-KFWWJZLASA-N 1 1 330.384 0.401 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2COc3ccccc3O2)[C@@H](O)C1 ZINC001083494158 755696090 /nfs/dbraw/zinc/69/60/90/755696090.db2.gz MHMLARDQARPMAP-KFWWJZLASA-N 1 1 330.384 0.401 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3cccnc3)C2)nn1 ZINC001098657753 755719150 /nfs/dbraw/zinc/71/91/50/755719150.db2.gz ZVQKLGQOILLACN-INIZCTEOSA-N 1 1 326.404 0.965 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)[C@@H](O)C1 ZINC001083504233 755761280 /nfs/dbraw/zinc/76/12/80/755761280.db2.gz UQQFXTLMJJQSFA-CVEARBPZSA-N 1 1 347.415 0.292 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cncnc3)C2)nn1 ZINC001098658650 755765329 /nfs/dbraw/zinc/76/53/29/755765329.db2.gz IGJMKLSYWQKFIY-OAHLLOKOSA-N 1 1 327.392 0.821 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2ccccc2)[C@@H](O)C1 ZINC001083514167 755823813 /nfs/dbraw/zinc/82/38/13/755823813.db2.gz QWICTIWLMYFGRG-KURKYZTESA-N 1 1 327.428 0.840 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2ccccc2)[C@@H](O)C1 ZINC001083514167 755823818 /nfs/dbraw/zinc/82/38/18/755823818.db2.gz QWICTIWLMYFGRG-KURKYZTESA-N 1 1 327.428 0.840 20 30 ECEDMO CC(C)[C@H]1N(C(=O)C[N@@H+](C)C(C)C)C[C@]12C[C@@H](O)[C@H](NCC#N)C2 ZINC001105675947 755842060 /nfs/dbraw/zinc/84/20/60/755842060.db2.gz SGPHNPAVCCVLRQ-AHCXZYCDSA-N 1 1 336.480 0.816 20 30 ECEDMO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)C(N)=O)CC1 ZINC001105680036 755978968 /nfs/dbraw/zinc/97/89/68/755978968.db2.gz QCOQTBFTKXQCCS-OIISXLGYSA-N 1 1 348.491 0.966 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1 ZINC001076012441 755993583 /nfs/dbraw/zinc/99/35/83/755993583.db2.gz GQUXUVVDKLLLTQ-GOEBONIOSA-N 1 1 346.431 0.612 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(OC)no3)C2)nn1 ZINC001098661438 756049999 /nfs/dbraw/zinc/04/99/99/756049999.db2.gz MJIOWYJFNHCCAX-LBPRGKRZSA-N 1 1 332.364 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC001010415246 756102452 /nfs/dbraw/zinc/10/24/52/756102452.db2.gz UIEJFMVSUMVAQH-SJORKVTESA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC001010415246 756102456 /nfs/dbraw/zinc/10/24/56/756102456.db2.gz UIEJFMVSUMVAQH-SJORKVTESA-N 1 1 347.459 0.714 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2N(C(=O)C#CC2CC2)CC3)C1 ZINC001014285236 762443028 /nfs/dbraw/zinc/44/30/28/762443028.db2.gz PYWGQOPKAJZRPW-FRQCXROJSA-N 1 1 329.444 0.991 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4n[nH]cc4F)[C@@H]3C2)C1=O ZINC001076214867 756226836 /nfs/dbraw/zinc/22/68/36/756226836.db2.gz DKYNDFXWZRPGHG-IACUBPJLSA-N 1 1 347.394 0.482 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)[nH]1 ZINC001010646018 756346054 /nfs/dbraw/zinc/34/60/54/756346054.db2.gz UZKZBKJIZBQROE-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)[nH]1 ZINC001010646018 756346059 /nfs/dbraw/zinc/34/60/59/756346059.db2.gz UZKZBKJIZBQROE-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010659299 756361306 /nfs/dbraw/zinc/36/13/06/756361306.db2.gz VLYITBSZIRIZQZ-HIFRSBDPSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010659299 756361310 /nfs/dbraw/zinc/36/13/10/756361310.db2.gz VLYITBSZIRIZQZ-HIFRSBDPSA-N 1 1 329.404 0.700 20 30 ECEDMO O=C(C#CC1CC1)N1CCO[C@H](C[NH2+]Cc2nnc3n2CCCC3)C1 ZINC001051610668 762462124 /nfs/dbraw/zinc/46/21/24/762462124.db2.gz DXZVWYKQFCLNLN-OAHLLOKOSA-N 1 1 343.431 0.345 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)nn1 ZINC001076335927 756377800 /nfs/dbraw/zinc/37/78/00/756377800.db2.gz CIACMHIAYHMUNJ-IJEWVQPXSA-N 1 1 331.420 0.647 20 30 ECEDMO O=C(CN1CCOCC1)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010671027 756378057 /nfs/dbraw/zinc/37/80/57/756378057.db2.gz RPFISRGMMHNQAJ-GOSISDBHSA-N 1 1 345.418 0.700 20 30 ECEDMO O=C(CN1CCOCC1)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010671027 756378058 /nfs/dbraw/zinc/37/80/58/756378058.db2.gz RPFISRGMMHNQAJ-GOSISDBHSA-N 1 1 345.418 0.700 20 30 ECEDMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010671813 756379334 /nfs/dbraw/zinc/37/93/34/756379334.db2.gz VUESPEXNYBURFK-HNNXBMFYSA-N 1 1 343.362 0.365 20 30 ECEDMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010671813 756379335 /nfs/dbraw/zinc/37/93/35/756379335.db2.gz VUESPEXNYBURFK-HNNXBMFYSA-N 1 1 343.362 0.365 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)s1 ZINC001010677045 756387697 /nfs/dbraw/zinc/38/76/97/756387697.db2.gz MFEIAEZNOCXCNL-JTQLQIEISA-N 1 1 332.389 0.308 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)s1 ZINC001010677045 756387705 /nfs/dbraw/zinc/38/77/05/756387705.db2.gz MFEIAEZNOCXCNL-JTQLQIEISA-N 1 1 332.389 0.308 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)(F)F)[C@@H](O)C1 ZINC001083547640 756463863 /nfs/dbraw/zinc/46/38/63/756463863.db2.gz VWCRMPSYRDSWLE-PWSUYJOCSA-N 1 1 330.310 0.244 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001076395443 756466289 /nfs/dbraw/zinc/46/62/89/756466289.db2.gz WKYPOWAONUBSHQ-GXTWGEPZSA-N 1 1 330.388 0.295 20 30 ECEDMO O=C(Cc1nnc[nH]1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076443301 756503879 /nfs/dbraw/zinc/50/38/79/756503879.db2.gz FQJVZNBLYAIHSR-DLBZAZTESA-N 1 1 335.411 0.932 20 30 ECEDMO O=C(Cc1nnc[nH]1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076443301 756503885 /nfs/dbraw/zinc/50/38/85/756503885.db2.gz FQJVZNBLYAIHSR-DLBZAZTESA-N 1 1 335.411 0.932 20 30 ECEDMO Cn1oc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cc1=O ZINC001010773340 756505422 /nfs/dbraw/zinc/50/54/22/756505422.db2.gz LUXAEYDUFSOQQG-CYBMUJFWSA-N 1 1 344.346 0.993 20 30 ECEDMO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)cc1=O ZINC001010773340 756505427 /nfs/dbraw/zinc/50/54/27/756505427.db2.gz LUXAEYDUFSOQQG-CYBMUJFWSA-N 1 1 344.346 0.993 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001010809502 756550864 /nfs/dbraw/zinc/55/08/64/756550864.db2.gz FIRITEBSQXIKGB-UONOGXRCSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001010809502 756550868 /nfs/dbraw/zinc/55/08/68/756550868.db2.gz FIRITEBSQXIKGB-UONOGXRCSA-N 1 1 331.420 0.494 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)nc1 ZINC001076475933 756562536 /nfs/dbraw/zinc/56/25/36/756562536.db2.gz MVCUCDLEEGVDSD-USXIJHARSA-N 1 1 338.411 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)cn1 ZINC001076476893 756564053 /nfs/dbraw/zinc/56/40/53/756564053.db2.gz HCOAOLDJITZSMK-JLJPHGGASA-N 1 1 340.427 0.686 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)cn1 ZINC001076476893 756564055 /nfs/dbraw/zinc/56/40/55/756564055.db2.gz HCOAOLDJITZSMK-JLJPHGGASA-N 1 1 340.427 0.686 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001010868651 756617958 /nfs/dbraw/zinc/61/79/58/756617958.db2.gz LCLOTICINPDCMY-HUUCEWRRSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc[nH]c2C)CC1 ZINC001010948989 756694925 /nfs/dbraw/zinc/69/49/25/756694925.db2.gz SQEZRXNNYRZSCK-INIZCTEOSA-N 1 1 328.416 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc[nH]c2C)CC1 ZINC001010948989 756694930 /nfs/dbraw/zinc/69/49/30/756694930.db2.gz SQEZRXNNYRZSCK-INIZCTEOSA-N 1 1 328.416 0.705 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@H](CC)C(N)=O)C[C@H]32)CC1 ZINC001076605643 756724810 /nfs/dbraw/zinc/72/48/10/756724810.db2.gz LHFPKOSVDMSFMM-GVDBMIGSSA-N 1 1 346.475 0.128 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000990896682 756759983 /nfs/dbraw/zinc/75/99/83/756759983.db2.gz REDVPPJLRHADED-CYBMUJFWSA-N 1 1 343.431 0.805 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001011026207 756787125 /nfs/dbraw/zinc/78/71/25/756787125.db2.gz QJWRQKKHRYFOLJ-CYBMUJFWSA-N 1 1 329.404 0.513 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ccnc(C#N)n2)C1 ZINC001060129182 756803852 /nfs/dbraw/zinc/80/38/52/756803852.db2.gz JXPVVWDGTNMFJP-ZIAGYGMSSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ccnc(C#N)n2)C1 ZINC001060129182 756803858 /nfs/dbraw/zinc/80/38/58/756803858.db2.gz JXPVVWDGTNMFJP-ZIAGYGMSSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2csnc2C)C1 ZINC000990919991 756855254 /nfs/dbraw/zinc/85/52/54/756855254.db2.gz JORTZSAUEGJNRU-AWEZNQCLSA-N 1 1 332.429 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2csnc2C)C1 ZINC000990919991 756855260 /nfs/dbraw/zinc/85/52/60/756855260.db2.gz JORTZSAUEGJNRU-AWEZNQCLSA-N 1 1 332.429 0.490 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990927488 756886296 /nfs/dbraw/zinc/88/62/96/756886296.db2.gz LCTRLMFZBGXCDQ-INIZCTEOSA-N 1 1 343.431 0.947 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001011107481 756937342 /nfs/dbraw/zinc/93/73/42/756937342.db2.gz IGTRJMFTDQIGPQ-MRXNPFEDSA-N 1 1 333.432 0.180 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001011107481 756937348 /nfs/dbraw/zinc/93/73/48/756937348.db2.gz IGTRJMFTDQIGPQ-MRXNPFEDSA-N 1 1 333.432 0.180 20 30 ECEDMO O=C(C#CC1CC1)N1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001011109915 756939837 /nfs/dbraw/zinc/93/98/37/756939837.db2.gz FPIAOMZPFDMLHP-OAHLLOKOSA-N 1 1 326.400 0.845 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048779582 756967658 /nfs/dbraw/zinc/96/76/58/756967658.db2.gz XUOWETHPHUIURN-BNOWGMLFSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(OCC(N)=O)c3)CCC[C@@H]12 ZINC000990972614 757108795 /nfs/dbraw/zinc/10/87/95/757108795.db2.gz KIPHGKGHEPEBSO-VQIMIIECSA-N 1 1 341.411 0.911 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@H]2C1 ZINC001048854490 757190404 /nfs/dbraw/zinc/19/04/04/757190404.db2.gz BOOCOCMZRKKSDR-KFWWJZLASA-N 1 1 344.463 0.945 20 30 ECEDMO CC(C)C#CC(=O)NCc1cn(C2C[NH+](CCC[C@H](C)O)C2)nn1 ZINC001107169787 757208439 /nfs/dbraw/zinc/20/84/39/757208439.db2.gz SXTXEMCJCCIKOA-AWEZNQCLSA-N 1 1 333.436 0.571 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@H]2C1 ZINC001048861395 757210179 /nfs/dbraw/zinc/21/01/79/757210179.db2.gz LKOUASJHOCYPJT-IXDOHACOSA-N 1 1 331.464 0.780 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@H]2C1 ZINC001048869745 757237193 /nfs/dbraw/zinc/23/71/93/757237193.db2.gz DJHJFIIDNPKVCF-XHSDSOJGSA-N 1 1 325.416 0.469 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)c1 ZINC001076818795 757245650 /nfs/dbraw/zinc/24/56/50/757245650.db2.gz NUKMXPZLHRHJCR-HZPDHXFCSA-N 1 1 326.356 0.450 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)c1 ZINC001076818795 757245655 /nfs/dbraw/zinc/24/56/55/757245655.db2.gz NUKMXPZLHRHJCR-HZPDHXFCSA-N 1 1 326.356 0.450 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@H]12 ZINC000990996800 757283851 /nfs/dbraw/zinc/28/38/51/757283851.db2.gz LWHUJFURFYQZEI-HOCLYGCPSA-N 1 1 341.477 0.711 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)c1 ZINC001076828873 757291279 /nfs/dbraw/zinc/29/12/79/757291279.db2.gz PYTVTRQSWRPMNE-HZPDHXFCSA-N 1 1 325.372 0.185 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)c1 ZINC001076828873 757291285 /nfs/dbraw/zinc/29/12/85/757291285.db2.gz PYTVTRQSWRPMNE-HZPDHXFCSA-N 1 1 325.372 0.185 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCNC(=O)C3)nn2)C1 ZINC001107182095 757315844 /nfs/dbraw/zinc/31/58/44/757315844.db2.gz OEDVKCDEOOEQDX-QGZVFWFLSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCC(=O)NC3)nn2)C1 ZINC001107178422 757334941 /nfs/dbraw/zinc/33/49/41/757334941.db2.gz XDZVCBZEXJBPSH-CYBMUJFWSA-N 1 1 346.435 0.243 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3cnc4ccc(OC)nn43)C[C@H]2C1 ZINC001048898504 757335467 /nfs/dbraw/zinc/33/54/67/757335467.db2.gz DPUABDTXDWERQF-OKILXGFUSA-N 1 1 339.399 0.765 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3cn(C)nc3C)nn2)C1 ZINC001107179119 757354998 /nfs/dbraw/zinc/35/49/98/757354998.db2.gz BUFMFQINAYDTGU-UHFFFAOYSA-N 1 1 343.435 0.612 20 30 ECEDMO C=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)nn1 ZINC001021404115 757397568 /nfs/dbraw/zinc/39/75/68/757397568.db2.gz SGVFIADAHOECDZ-FLTXBFBQSA-N 1 1 344.419 0.078 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1 ZINC001021414724 757408337 /nfs/dbraw/zinc/40/83/37/757408337.db2.gz CNARLXBFIHNVHD-WOSRLPQWSA-N 1 1 341.415 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(CF)CCC2)CC1 ZINC001011314805 757490020 /nfs/dbraw/zinc/49/00/20/757490020.db2.gz LXZBBLZDPXGHIJ-HNNXBMFYSA-N 1 1 335.423 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(CF)CCC2)CC1 ZINC001011314805 757490022 /nfs/dbraw/zinc/49/00/22/757490022.db2.gz LXZBBLZDPXGHIJ-HNNXBMFYSA-N 1 1 335.423 0.895 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)C[C@H]2C1 ZINC001048952951 757499101 /nfs/dbraw/zinc/49/91/01/757499101.db2.gz SUTMJVLFXCYZPL-XDNAFOTISA-N 1 1 349.475 0.442 20 30 ECEDMO CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001076898286 757516463 /nfs/dbraw/zinc/51/64/63/757516463.db2.gz BPWPILYVDCLQSS-NWANDNLSSA-N 1 1 332.404 0.476 20 30 ECEDMO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)n1 ZINC001076898713 757518372 /nfs/dbraw/zinc/51/83/72/757518372.db2.gz WYHCCPAYAUNJPV-IAGOWNOFSA-N 1 1 339.399 0.873 20 30 ECEDMO Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)n1 ZINC001076898713 757518377 /nfs/dbraw/zinc/51/83/77/757518377.db2.gz WYHCCPAYAUNJPV-IAGOWNOFSA-N 1 1 339.399 0.873 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]2C1 ZINC001048967376 757541132 /nfs/dbraw/zinc/54/11/32/757541132.db2.gz BGUXSVPQOIWEHI-OKILXGFUSA-N 1 1 344.415 0.542 20 30 ECEDMO CC#CCCCC(=O)NCc1cn(C2C[NH+]([C@@H](C)COC)C2)nn1 ZINC001107197890 757558159 /nfs/dbraw/zinc/55/81/59/757558159.db2.gz LOLSHTVBXMEZBY-AWEZNQCLSA-N 1 1 333.436 0.980 20 30 ECEDMO CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001076907304 757562816 /nfs/dbraw/zinc/56/28/16/757562816.db2.gz JPFFXJZRRYQFLZ-XZQMRNSJSA-N 1 1 332.404 0.476 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048977431 757581472 /nfs/dbraw/zinc/58/14/72/757581472.db2.gz CQURSCTVUFMQGR-GRYCIOLGSA-N 1 1 342.237 0.421 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048977431 757581475 /nfs/dbraw/zinc/58/14/75/757581475.db2.gz CQURSCTVUFMQGR-GRYCIOLGSA-N 1 1 342.237 0.421 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(CCOC)nn2)C1 ZINC001021585832 757643146 /nfs/dbraw/zinc/64/31/46/757643146.db2.gz WOGWAKBNYOHMJG-RDJZCZTQSA-N 1 1 345.447 0.874 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCCS2(=O)=O)C1 ZINC001021594950 757660285 /nfs/dbraw/zinc/66/02/85/757660285.db2.gz RZMASAROSJRBBN-GJZGRUSLSA-N 1 1 341.477 0.521 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@H]3C2)cc1 ZINC001049014502 757695842 /nfs/dbraw/zinc/69/58/42/757695842.db2.gz IHFSSRYJHUHMMO-IYBDPMFKSA-N 1 1 349.394 0.846 20 30 ECEDMO C=CCCCN1CC(n2cc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)nn2)C1 ZINC001107210854 757697707 /nfs/dbraw/zinc/69/77/07/757697707.db2.gz GJXODYFSEMGRSW-WMLDXEAASA-N 1 1 346.479 0.915 20 30 ECEDMO C=CCCCN1CC(n2cc(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)nn2)C1 ZINC001107210854 757697713 /nfs/dbraw/zinc/69/77/13/757697713.db2.gz GJXODYFSEMGRSW-WMLDXEAASA-N 1 1 346.479 0.915 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ccncc2C#N)C1 ZINC001107211129 757699089 /nfs/dbraw/zinc/69/90/89/757699089.db2.gz RWBNJMJKQHSDGC-MJSXRHKHSA-N 1 1 329.404 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ccncc2C#N)C1 ZINC001107211129 757699094 /nfs/dbraw/zinc/69/90/94/757699094.db2.gz RWBNJMJKQHSDGC-MJSXRHKHSA-N 1 1 329.404 0.180 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ccc(C#N)cn2)C1 ZINC001107211791 757702915 /nfs/dbraw/zinc/70/29/15/757702915.db2.gz ZEDXIYIOZDATFK-NHZBNJEXSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ccc(C#N)cn2)C1 ZINC001107211791 757702923 /nfs/dbraw/zinc/70/29/23/757702923.db2.gz ZEDXIYIOZDATFK-NHZBNJEXSA-N 1 1 329.404 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)CCC)C[C@@H]1O ZINC001049019010 757709531 /nfs/dbraw/zinc/70/95/31/757709531.db2.gz CTQHYMNQVXALGJ-QZWWFDLISA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)CCC)C[C@@H]1O ZINC001049019010 757709544 /nfs/dbraw/zinc/70/95/44/757709544.db2.gz CTQHYMNQVXALGJ-QZWWFDLISA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)CCC)C[C@@H]1O ZINC001049019008 757709674 /nfs/dbraw/zinc/70/96/74/757709674.db2.gz CTQHYMNQVXALGJ-QAETUUGQSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)CCC)C[C@@H]1O ZINC001049019008 757709682 /nfs/dbraw/zinc/70/96/82/757709682.db2.gz CTQHYMNQVXALGJ-QAETUUGQSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)cn2)C1 ZINC001021636480 757719815 /nfs/dbraw/zinc/71/98/15/757719815.db2.gz QGGZSIFQLMTCBO-HOCLYGCPSA-N 1 1 328.416 0.730 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001021653232 757742671 /nfs/dbraw/zinc/74/26/71/757742671.db2.gz VWOVGQFHMSVYHK-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)ccc1F ZINC001021662383 757754964 /nfs/dbraw/zinc/75/49/64/757754964.db2.gz VCLKTIVUJZHINE-BBRMVZONSA-N 1 1 344.390 0.996 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCOCC4)C[C@@H]3C2)C1 ZINC001049046670 757772882 /nfs/dbraw/zinc/77/28/82/757772882.db2.gz RAGPCQFRMMRQCN-IYBDPMFKSA-N 1 1 347.459 0.592 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@H]3C2)c1 ZINC001049047701 757774241 /nfs/dbraw/zinc/77/42/41/757774241.db2.gz RAUAQODPHDKXQG-IYBDPMFKSA-N 1 1 338.411 0.345 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001049048627 757778187 /nfs/dbraw/zinc/77/81/87/757778187.db2.gz OOGLITQAZYVNQR-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CCN1CC(n2cc(CNC(=O)C[N@H+](C)CC(C)(C)C)nn2)C1 ZINC001107211940 757800579 /nfs/dbraw/zinc/80/05/79/757800579.db2.gz GSXWYOOKNSBJBZ-UHFFFAOYSA-N 1 1 332.452 0.362 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001076982744 757805262 /nfs/dbraw/zinc/80/52/62/757805262.db2.gz HYRYEZZTOHQNOY-ZIAGYGMSSA-N 1 1 328.372 0.478 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001076982744 757805276 /nfs/dbraw/zinc/80/52/76/757805276.db2.gz HYRYEZZTOHQNOY-ZIAGYGMSSA-N 1 1 328.372 0.478 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)cc1 ZINC001076972534 757807543 /nfs/dbraw/zinc/80/75/43/757807543.db2.gz IYSQRGFWXMJUKB-HUUCEWRRSA-N 1 1 341.371 0.287 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)cc1 ZINC001076972534 757807552 /nfs/dbraw/zinc/80/75/52/757807552.db2.gz IYSQRGFWXMJUKB-HUUCEWRRSA-N 1 1 341.371 0.287 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC(C)C)c2CC)C1 ZINC001076986348 757849027 /nfs/dbraw/zinc/84/90/27/757849027.db2.gz VDDJHIAVFLILGX-NVXWUHKLSA-N 1 1 332.448 0.900 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021714583 757851668 /nfs/dbraw/zinc/85/16/68/757851668.db2.gz XPRIRNAWIAXNSF-GJZGRUSLSA-N 1 1 348.447 0.769 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccnc3nc(C)nn32)C1 ZINC001021715042 757854585 /nfs/dbraw/zinc/85/45/85/757854585.db2.gz ZPZGCWZLJOMFGF-GJZGRUSLSA-N 1 1 338.415 0.992 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001021715501 757854971 /nfs/dbraw/zinc/85/49/71/757854971.db2.gz GXYRKHZDKUADHM-GXTWGEPZSA-N 1 1 342.403 0.530 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021714931 757855315 /nfs/dbraw/zinc/85/53/15/757855315.db2.gz YVCWYFBUCNCJKY-CABCVRRESA-N 1 1 346.431 0.217 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)n2C)C1 ZINC001021740593 757889632 /nfs/dbraw/zinc/88/96/32/757889632.db2.gz UWTGSMGEKLEOLJ-GJZGRUSLSA-N 1 1 330.432 0.674 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001021755539 757904640 /nfs/dbraw/zinc/90/46/40/757904640.db2.gz XLQALTITEMPEQZ-HOCLYGCPSA-N 1 1 326.400 0.740 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(S(C)(=O)=O)o3)C[C@H]2C1 ZINC001049092826 757942796 /nfs/dbraw/zinc/94/27/96/757942796.db2.gz NNZVQNDGKIBLOR-BETUJISGSA-N 1 1 336.413 0.710 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(S(C)(=O)=O)o3)C[C@H]2C1 ZINC001049092826 757942804 /nfs/dbraw/zinc/94/28/04/757942804.db2.gz NNZVQNDGKIBLOR-BETUJISGSA-N 1 1 336.413 0.710 20 30 ECEDMO C#CCOc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]3C2)cc1 ZINC001049102094 757962641 /nfs/dbraw/zinc/96/26/41/757962641.db2.gz KWQZYZOKMFYYDD-CWRNSKLLSA-N 1 1 341.411 0.576 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C[C@H]2C1 ZINC001049108910 757981813 /nfs/dbraw/zinc/98/18/13/757981813.db2.gz LNTSNHUVHWMECB-QLFBSQMISA-N 1 1 341.477 0.377 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049111092 757986490 /nfs/dbraw/zinc/98/64/90/757986490.db2.gz JOUOCNBDFGGGHV-NPJQDHAYSA-N 1 1 333.432 0.246 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049111507 757987966 /nfs/dbraw/zinc/98/79/66/757987966.db2.gz UNNWYWXJCPTYME-QEOTZNIISA-N 1 1 347.459 0.589 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)c3[nH]nc(C)c3C)C2)C1=O ZINC001021913824 758052403 /nfs/dbraw/zinc/05/24/03/758052403.db2.gz KUIXHSVKOKQOPS-HZSPNIEDSA-N 1 1 331.420 0.664 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001077067018 758081496 /nfs/dbraw/zinc/08/14/96/758081496.db2.gz JABCOERCYKFMBE-RBSFLKMASA-N 1 1 330.384 0.401 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]2C1 ZINC001049135531 758086379 /nfs/dbraw/zinc/08/63/79/758086379.db2.gz UMUFRBQUNLUXGH-IYBDPMFKSA-N 1 1 330.432 0.826 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc4c3COCC4)C2)c[nH]1 ZINC001021990653 758139633 /nfs/dbraw/zinc/13/96/33/758139633.db2.gz OABAAXDNPWDMFO-TXEJJXNPSA-N 1 1 341.371 0.998 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)[C@@H](O)C1 ZINC001083563789 758206830 /nfs/dbraw/zinc/20/68/30/758206830.db2.gz DSWLOOSOCROENY-LZWOXQAQSA-N 1 1 348.447 0.585 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)OC)CCC[C@@H]12 ZINC001107323117 758243295 /nfs/dbraw/zinc/24/32/95/758243295.db2.gz PRFWUDDSYZLANK-IIDMSEBBSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC1(F)F ZINC001077123773 758250167 /nfs/dbraw/zinc/25/01/67/758250167.db2.gz CDVYJDRMHOCTNV-XQQFMLRXSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC1(F)F ZINC001077123773 758250175 /nfs/dbraw/zinc/25/01/75/758250175.db2.gz CDVYJDRMHOCTNV-XQQFMLRXSA-N 1 1 327.375 0.750 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049190758 758258656 /nfs/dbraw/zinc/25/86/56/758258656.db2.gz FUAAKPFVPRXMKP-KDURUIRLSA-N 1 1 349.438 0.892 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@H]2C1 ZINC001049199996 758283632 /nfs/dbraw/zinc/28/36/32/758283632.db2.gz GQMLKHCFHKAZNU-GASCZTMLSA-N 1 1 338.415 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccnc(F)c1 ZINC001077124402 758285158 /nfs/dbraw/zinc/28/51/58/758285158.db2.gz VCBOAXGDNLIKOA-ZFWWWQNUSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccnc(F)c1 ZINC001077124402 758285169 /nfs/dbraw/zinc/28/51/69/758285169.db2.gz VCBOAXGDNLIKOA-ZFWWWQNUSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)COCC(F)F ZINC001077125264 758290794 /nfs/dbraw/zinc/29/07/94/758290794.db2.gz QQBYCOVWMXVTFO-STQMWFEESA-N 1 1 345.390 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)COCC(F)F ZINC001077125264 758290804 /nfs/dbraw/zinc/29/08/04/758290804.db2.gz QQBYCOVWMXVTFO-STQMWFEESA-N 1 1 345.390 0.377 20 30 ECEDMO O=C(Cn1cncn1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001049202375 758291031 /nfs/dbraw/zinc/29/10/31/758291031.db2.gz LKEDDNXMLDNCAG-HDICACEKSA-N 1 1 335.411 0.720 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C)CCC[C@@H]12 ZINC001107328920 758300302 /nfs/dbraw/zinc/30/03/02/758300302.db2.gz CAPBXXVCGUVGPV-GPMSIDNRSA-N 1 1 348.491 0.744 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C)CCC[C@@H]12 ZINC001107328920 758300315 /nfs/dbraw/zinc/30/03/15/758300315.db2.gz CAPBXXVCGUVGPV-GPMSIDNRSA-N 1 1 348.491 0.744 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cocn3)CCC[C@@H]12 ZINC001107329418 758301787 /nfs/dbraw/zinc/30/17/87/758301787.db2.gz TVUGPAXYTRTFCI-RHSMWYFYSA-N 1 1 332.404 0.951 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3-n3cnnn3)C[C@H]2C1 ZINC001049210374 758317038 /nfs/dbraw/zinc/31/70/38/758317038.db2.gz WDHSNDYPAUHWPT-GASCZTMLSA-N 1 1 336.399 0.689 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNc1ccnc(C#N)n1 ZINC001107346908 758359621 /nfs/dbraw/zinc/35/96/21/758359621.db2.gz XCUIKEBEWJOLPX-XGACYXMMSA-N 1 1 328.420 0.727 20 30 ECEDMO Cc1[nH]ccc1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107349568 758365285 /nfs/dbraw/zinc/36/52/85/758365285.db2.gz HWBQWUACTQXIIF-CRAIPNDOSA-N 1 1 343.431 0.937 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001077158845 758376115 /nfs/dbraw/zinc/37/61/15/758376115.db2.gz BABUMEWLRLPCCW-VQHPVUNQSA-N 1 1 348.447 0.625 20 30 ECEDMO CNC(=O)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107376634 758404630 /nfs/dbraw/zinc/40/46/30/758404630.db2.gz MRVYJJIFCDKFFO-VQIMIIECSA-N 1 1 349.475 0.913 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCN3C)CCC[C@@H]12 ZINC001107367502 758409800 /nfs/dbraw/zinc/40/98/00/758409800.db2.gz DMJOJGCKBLLVLC-YQVWRLOYSA-N 1 1 349.475 0.328 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(c3ccc(C#N)nn3)C[C@H]2C1 ZINC001049244964 758421131 /nfs/dbraw/zinc/42/11/31/758421131.db2.gz SOOPXJPYKRJUBK-IJEWVQPXSA-N 1 1 340.431 0.727 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001049249472 758433531 /nfs/dbraw/zinc/43/35/31/758433531.db2.gz FGIURDKUBVLXDI-HOTGVXAUSA-N 1 1 337.464 0.550 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001077185140 758443814 /nfs/dbraw/zinc/44/38/14/758443814.db2.gz MOHFNIWFJMWFRT-VXGBXAGGSA-N 1 1 330.310 0.244 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(C)C)CC2 ZINC001107401941 758471807 /nfs/dbraw/zinc/47/18/07/758471807.db2.gz GZLVWMCNJGRRFW-IIDMSEBBSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@@H]12 ZINC001107410484 758473095 /nfs/dbraw/zinc/47/30/95/758473095.db2.gz GBGKEMFHEXEWSZ-AUUYWEPGSA-N 1 1 345.443 0.766 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001077226521 758561761 /nfs/dbraw/zinc/56/17/61/758561761.db2.gz WBAQJQYSRDFPGW-GDBMZVCRSA-N 1 1 329.400 0.313 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H](O)CNc2nc(C)[nH+]c(C)c2C)cn1 ZINC001105907695 762635973 /nfs/dbraw/zinc/63/59/73/762635973.db2.gz CCTKGUVQTWNMQR-INIZCTEOSA-N 1 1 339.399 0.981 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001077257140 758632941 /nfs/dbraw/zinc/63/29/41/758632941.db2.gz VYFSKYGKFHRHGR-HUUCEWRRSA-N 1 1 331.420 0.428 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001077257140 758632948 /nfs/dbraw/zinc/63/29/48/758632948.db2.gz VYFSKYGKFHRHGR-HUUCEWRRSA-N 1 1 331.420 0.428 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)NC2CC2)c1 ZINC001049401129 758634016 /nfs/dbraw/zinc/63/40/16/758634016.db2.gz LTANBBXRHMHQKV-JKSUJKDBSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)NC2CC2)c1 ZINC001049401129 758634021 /nfs/dbraw/zinc/63/40/21/758634021.db2.gz LTANBBXRHMHQKV-JKSUJKDBSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)N2CCC2)c[nH]1 ZINC001049424631 758667717 /nfs/dbraw/zinc/66/77/17/758667717.db2.gz FWIXTJFPYBYEHN-HOTGVXAUSA-N 1 1 341.415 0.798 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCn2cncn2)[nH]1 ZINC001049425446 758669653 /nfs/dbraw/zinc/66/96/53/758669653.db2.gz LQDFDWHWQJNQDQ-HZPDHXFCSA-N 1 1 339.403 0.857 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C#N)[nH]1 ZINC001049425535 758669771 /nfs/dbraw/zinc/66/97/71/758669771.db2.gz MXEZHJAOTUMHAF-LSDHHAIUSA-N 1 1 329.404 0.653 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCn2cncn2)[nH]1 ZINC001049425448 758669780 /nfs/dbraw/zinc/66/97/80/758669780.db2.gz LQDFDWHWQJNQDQ-JKSUJKDBSA-N 1 1 339.403 0.857 20 30 ECEDMO N#Cc1cnc(N2CC=C(CNC(=O)CCc3cnc[nH]3)CC2)cn1 ZINC001127782369 758707122 /nfs/dbraw/zinc/70/71/22/758707122.db2.gz SNVQLKJGCDOJFW-UHFFFAOYSA-N 1 1 337.387 0.957 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1snc(Cl)c1C#N ZINC001105908964 762657547 /nfs/dbraw/zinc/65/75/47/762657547.db2.gz AJJLHSMDSXTODG-VIFPVBQESA-N 1 1 345.856 0.899 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)nn1 ZINC001098676720 762657767 /nfs/dbraw/zinc/65/77/67/762657767.db2.gz UANVAECEJVYTMQ-JKSUJKDBSA-N 1 1 349.435 0.523 20 30 ECEDMO CN(C(=O)CC[NH+]1CCOCC1)C1CC(Nc2ccncc2C#N)C1 ZINC001126972155 758824412 /nfs/dbraw/zinc/82/44/12/758824412.db2.gz LFTFXPPYRPRIBE-UHFFFAOYSA-N 1 1 343.431 0.499 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521206 758852875 /nfs/dbraw/zinc/85/28/75/758852875.db2.gz GYUVDTIUTPGYEN-KBPBESRZSA-N 1 1 341.839 0.663 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521206 758852886 /nfs/dbraw/zinc/85/28/86/758852886.db2.gz GYUVDTIUTPGYEN-KBPBESRZSA-N 1 1 341.839 0.663 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001077341833 758861112 /nfs/dbraw/zinc/86/11/12/758861112.db2.gz KJASIEXSXSOTFS-HZPDHXFCSA-N 1 1 347.415 0.292 20 30 ECEDMO C[N@@H+](CC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(C#N)n1)C1CCC1 ZINC001105692892 758911491 /nfs/dbraw/zinc/91/14/91/758911491.db2.gz BGWSRSODMFFLQP-HIFRSBDPSA-N 1 1 342.447 0.951 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049552813 758913785 /nfs/dbraw/zinc/91/37/85/758913785.db2.gz QCCMYBVRPHKZSR-DLBZAZTESA-N 1 1 340.427 0.812 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001049560671 758923541 /nfs/dbraw/zinc/92/35/41/758923541.db2.gz XASSDMAGKDHCSG-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001049560545 758924192 /nfs/dbraw/zinc/92/41/92/758924192.db2.gz VEZWYIWGWFAVQF-JYJNAYRXSA-N 1 1 335.448 0.162 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cnc3ccccn3c2=O)[C@@H](O)C1 ZINC001083575600 758961168 /nfs/dbraw/zinc/96/11/68/758961168.db2.gz GEPLDRWXWSQTKY-KGLIPLIRSA-N 1 1 328.372 0.046 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001049615504 758997297 /nfs/dbraw/zinc/99/72/97/758997297.db2.gz KXZNMHUQFJMZSJ-CABCVRRESA-N 1 1 339.399 0.643 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cncc(-n2ccnn2)c1 ZINC001049616384 758999063 /nfs/dbraw/zinc/99/90/63/758999063.db2.gz UXXYRAYHWKAZMZ-IRXDYDNUSA-N 1 1 336.399 0.974 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001077422946 759065318 /nfs/dbraw/zinc/06/53/18/759065318.db2.gz AZZIDFQWODITSD-CFVMTHIKSA-N 1 1 334.420 0.794 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)c1 ZINC001049692930 759106958 /nfs/dbraw/zinc/10/69/58/759106958.db2.gz VKZXDOWJRKKAPF-HUUCEWRRSA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)c1 ZINC001049692930 759106962 /nfs/dbraw/zinc/10/69/62/759106962.db2.gz VKZXDOWJRKKAPF-HUUCEWRRSA-N 1 1 330.363 0.748 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049721885 759131426 /nfs/dbraw/zinc/13/14/26/759131426.db2.gz GNZWVFWQLSKMAG-VVLHAWIVSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049721881 759132107 /nfs/dbraw/zinc/13/21/07/759132107.db2.gz GNZWVFWQLSKMAG-LTIDMASMSA-N 1 1 347.459 0.711 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nonc3C)C2)nn1 ZINC001022828274 759152058 /nfs/dbraw/zinc/15/20/58/759152058.db2.gz CMMVMUVTQWGTDF-TXEJJXNPSA-N 1 1 331.380 0.596 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cnnn1C ZINC001049741834 759156026 /nfs/dbraw/zinc/15/60/26/759156026.db2.gz QTMCQFWYGHNKEH-QZWWFDLISA-N 1 1 345.447 0.972 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cnnn1C ZINC001049741834 759156032 /nfs/dbraw/zinc/15/60/32/759156032.db2.gz QTMCQFWYGHNKEH-QZWWFDLISA-N 1 1 345.447 0.972 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(OC)ncn3)C2)C1=O ZINC001014438454 762688216 /nfs/dbraw/zinc/68/82/16/762688216.db2.gz IAGXWPQDKYYDAM-OCCSQVGLSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(OC)ncn3)C2)C1=O ZINC001014438454 762688223 /nfs/dbraw/zinc/68/82/23/762688223.db2.gz IAGXWPQDKYYDAM-OCCSQVGLSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCCO)nn1 ZINC001049778604 759193254 /nfs/dbraw/zinc/19/32/54/759193254.db2.gz WXTNBTCRYQZQEU-HZPDHXFCSA-N 1 1 333.436 0.916 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001049780492 759196394 /nfs/dbraw/zinc/19/63/94/759196394.db2.gz HFJQOKCQMCTDMC-MJBXVCDLSA-N 1 1 327.450 0.272 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001049788954 759209429 /nfs/dbraw/zinc/20/94/29/759209429.db2.gz SXCKCBWROZYFFV-CABCVRRESA-N 1 1 339.399 0.643 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049791800 759215817 /nfs/dbraw/zinc/21/58/17/759215817.db2.gz ZJINJYXMBVSTBC-NEPJUHHUSA-N 1 1 340.811 0.356 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049791800 759215824 /nfs/dbraw/zinc/21/58/24/759215824.db2.gz ZJINJYXMBVSTBC-NEPJUHHUSA-N 1 1 340.811 0.356 20 30 ECEDMO C=CCCC(=O)N1CCC(OC2C[NH+](C[C@@H](O)COC)C2)CC1 ZINC001105697283 759247177 /nfs/dbraw/zinc/24/71/77/759247177.db2.gz SCCJETYRHUMKFR-CQSZACIVSA-N 1 1 326.437 0.652 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049829171 759263255 /nfs/dbraw/zinc/26/32/55/759263255.db2.gz ANJKLMDUAZNWDO-ZIAGYGMSSA-N 1 1 332.404 0.017 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049831189 759267373 /nfs/dbraw/zinc/26/73/73/759267373.db2.gz KIYVQJVTGMXEBP-ZIAGYGMSSA-N 1 1 334.420 0.570 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001049837103 759273412 /nfs/dbraw/zinc/27/34/12/759273412.db2.gz ZLASZCHBZXGJKE-GJZGRUSLSA-N 1 1 345.447 0.632 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001049840021 759279853 /nfs/dbraw/zinc/27/98/53/759279853.db2.gz LSLUOIWUIUEOHP-IAOVAPTHSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001049840021 759279858 /nfs/dbraw/zinc/27/98/58/759279858.db2.gz LSLUOIWUIUEOHP-IAOVAPTHSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001049840021 759279869 /nfs/dbraw/zinc/27/98/69/759279869.db2.gz LSLUOIWUIUEOHP-IAOVAPTHSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001049840021 759279875 /nfs/dbraw/zinc/27/98/75/759279875.db2.gz LSLUOIWUIUEOHP-IAOVAPTHSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001049840021 759279885 /nfs/dbraw/zinc/27/98/85/759279885.db2.gz LSLUOIWUIUEOHP-IAOVAPTHSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001049840028 759280082 /nfs/dbraw/zinc/28/00/82/759280082.db2.gz LSLUOIWUIUEOHP-XOKHGSTOSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001049840028 759280088 /nfs/dbraw/zinc/28/00/88/759280088.db2.gz LSLUOIWUIUEOHP-XOKHGSTOSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001049840028 759280093 /nfs/dbraw/zinc/28/00/93/759280093.db2.gz LSLUOIWUIUEOHP-XOKHGSTOSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001049840028 759280098 /nfs/dbraw/zinc/28/00/98/759280098.db2.gz LSLUOIWUIUEOHP-XOKHGSTOSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001049840028 759280101 /nfs/dbraw/zinc/28/01/01/759280101.db2.gz LSLUOIWUIUEOHP-XOKHGSTOSA-N 1 1 327.432 0.998 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001049869403 759323058 /nfs/dbraw/zinc/32/30/58/759323058.db2.gz GODGWIJJOGGKBZ-GVDBMIGSSA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001031089230 767851277 /nfs/dbraw/zinc/85/12/77/767851277.db2.gz BNXJZFTUBVLONP-KMFMINBZSA-N 1 1 335.448 0.684 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049883673 759344396 /nfs/dbraw/zinc/34/43/96/759344396.db2.gz JDMWGEDKZZROII-CHWSQXEVSA-N 1 1 329.404 0.831 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(C(N)=O)c2)C1 ZINC001047632003 759351113 /nfs/dbraw/zinc/35/11/13/759351113.db2.gz VAWAHBPYQXMOON-GJZGRUSLSA-N 1 1 332.404 0.264 20 30 ECEDMO Cc1ccc(C#N)c(N(C)C[C@H](O)CN(C)C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001125000439 759367613 /nfs/dbraw/zinc/36/76/13/759367613.db2.gz KLIDSSAURRYJPR-JKSUJKDBSA-N 1 1 345.447 0.611 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047638717 759374757 /nfs/dbraw/zinc/37/47/57/759374757.db2.gz FJMZMFQXOSJBSB-IKGGRYGDSA-N 1 1 349.475 0.550 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047638717 759374767 /nfs/dbraw/zinc/37/47/67/759374767.db2.gz FJMZMFQXOSJBSB-IKGGRYGDSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001047650092 759409415 /nfs/dbraw/zinc/40/94/15/759409415.db2.gz QDPTZMJGLGKROB-HOTGVXAUSA-N 1 1 325.372 0.018 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001047650092 759409420 /nfs/dbraw/zinc/40/94/20/759409420.db2.gz QDPTZMJGLGKROB-HOTGVXAUSA-N 1 1 325.372 0.018 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C(N)=O)n1 ZINC001049924463 759409735 /nfs/dbraw/zinc/40/97/35/759409735.db2.gz RSNJTXSXEFRUIM-CVEARBPZSA-N 1 1 326.400 0.883 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001054243996 767859816 /nfs/dbraw/zinc/85/98/16/767859816.db2.gz RZVVGMHXDXSSQW-DOTOQJQBSA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001054243996 767859819 /nfs/dbraw/zinc/85/98/19/767859819.db2.gz RZVVGMHXDXSSQW-DOTOQJQBSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C(N)=O)ccn1)C2 ZINC001054250004 767869119 /nfs/dbraw/zinc/86/91/19/767869119.db2.gz IZXCUTLOJNASJS-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001054250586 767870493 /nfs/dbraw/zinc/87/04/93/767870493.db2.gz XDBYBWXVVGXYHK-KDOFPFPSSA-N 1 1 333.432 0.930 20 30 ECEDMO C=CCC[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)NC(N)=O)CC2)C1 ZINC001105708360 759591757 /nfs/dbraw/zinc/59/17/57/759591757.db2.gz CUZNORWNCZIRGN-CYBMUJFWSA-N 1 1 338.452 0.701 20 30 ECEDMO C#CCOCCC(=O)N1CCC(OC2C[NH+]([C@@H](C)COC)C2)CC1 ZINC001105708444 759644077 /nfs/dbraw/zinc/64/40/77/759644077.db2.gz IDRZMNZARRIJGA-HNNXBMFYSA-N 1 1 338.448 0.753 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cnc4n3CCOC4)[C@@H]2C1 ZINC001050068540 759649838 /nfs/dbraw/zinc/64/98/38/759649838.db2.gz UXZVALNDMFCIOB-GOEBONIOSA-N 1 1 328.416 0.973 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN(C(N)=O)C3)[C@@H]2C1 ZINC001050089235 759682557 /nfs/dbraw/zinc/68/25/57/759682557.db2.gz YZRDNQVAVKXLLR-HRCADAONSA-N 1 1 332.448 0.723 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125110846 759704111 /nfs/dbraw/zinc/70/41/11/759704111.db2.gz MGALWKNTHPHSCV-HUUCEWRRSA-N 1 1 331.420 0.160 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([C@H](C)[NH2+]Cc3nnn(C)n3)C2)cc1 ZINC001047929676 759709044 /nfs/dbraw/zinc/70/90/44/759709044.db2.gz UNEYSWCCSHTZGA-BBRMVZONSA-N 1 1 338.415 0.832 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)n1 ZINC001050105828 759714890 /nfs/dbraw/zinc/71/48/90/759714890.db2.gz IFXDBRYPFFJFKG-VNQPRFMTSA-N 1 1 343.431 0.676 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)n1 ZINC001050105828 759714898 /nfs/dbraw/zinc/71/48/98/759714898.db2.gz IFXDBRYPFFJFKG-VNQPRFMTSA-N 1 1 343.431 0.676 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccccc3C(N)=O)[C@@H]2C1 ZINC001050108175 759721774 /nfs/dbraw/zinc/72/17/74/759721774.db2.gz SWPZKTPXCCVCOS-DOTOQJQBSA-N 1 1 325.412 0.884 20 30 ECEDMO CC1(C)CN(C(=O)CC(N)=O)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC000995575073 759812454 /nfs/dbraw/zinc/81/24/54/759812454.db2.gz RSYYYODJTCROGJ-CQSZACIVSA-N 1 1 332.379 0.899 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH]c(=O)c3=O)[C@@H]2C1 ZINC001050165152 759839846 /nfs/dbraw/zinc/83/98/46/759839846.db2.gz WIIQQOOWUNBTDC-UONOGXRCSA-N 1 1 332.404 0.036 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000348493925 759844077 /nfs/dbraw/zinc/84/40/77/759844077.db2.gz CXGMCAJFFCTXMI-HZSPNIEDSA-N 1 1 339.436 0.997 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000348493925 759844087 /nfs/dbraw/zinc/84/40/87/759844087.db2.gz CXGMCAJFFCTXMI-HZSPNIEDSA-N 1 1 339.436 0.997 20 30 ECEDMO Cc1nsc(NC/C=C/CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001107093812 759897791 /nfs/dbraw/zinc/89/77/91/759897791.db2.gz OFAIZDPOFMTBKI-OOPCZODUSA-N 1 1 335.433 0.738 20 30 ECEDMO Cc1nsc(NC/C=C/CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001107093812 759897800 /nfs/dbraw/zinc/89/78/00/759897800.db2.gz OFAIZDPOFMTBKI-OOPCZODUSA-N 1 1 335.433 0.738 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001050192303 759907623 /nfs/dbraw/zinc/90/76/23/759907623.db2.gz CSPUFGFCCJJEGT-BBWFWOEESA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001050193038 759910006 /nfs/dbraw/zinc/91/00/06/759910006.db2.gz ZZAQTOBLPLRYLA-BBWFWOEESA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1 ZINC001050200937 759926714 /nfs/dbraw/zinc/92/67/14/759926714.db2.gz VTEGMEQWXFSJHQ-GXTWGEPZSA-N 1 1 332.404 0.598 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CC34CCOCC4)C2)C1=O ZINC001032231421 759990337 /nfs/dbraw/zinc/99/03/37/759990337.db2.gz IKTMFASSFPIJNM-CVEARBPZSA-N 1 1 347.459 0.638 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)C[C@H](NC(=O)CC(N)=O)c1ccccc1O2 ZINC001111529338 760006837 /nfs/dbraw/zinc/00/68/37/760006837.db2.gz IPZFDCFECKJVBK-KXBFYZLASA-N 1 1 341.411 0.970 20 30 ECEDMO C[C@H]([NH2+][C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C)c1nnnn1C ZINC000995683647 760041423 /nfs/dbraw/zinc/04/14/23/760041423.db2.gz YJPFFBHLOUMJAS-GWCFXTLKSA-N 1 1 342.407 0.611 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000945288029 760047532 /nfs/dbraw/zinc/04/75/32/760047532.db2.gz ZJEAQCSDXROAIZ-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO Cn1ncc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)n1 ZINC000995687674 760059231 /nfs/dbraw/zinc/05/92/31/760059231.db2.gz KASJZMJRGYRNEP-AWEZNQCLSA-N 1 1 327.392 0.655 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001212349388 760063559 /nfs/dbraw/zinc/06/35/59/760063559.db2.gz SYYRQEUORRLLLT-HUUCEWRRSA-N 1 1 340.468 0.866 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001212349388 760063567 /nfs/dbraw/zinc/06/35/67/760063567.db2.gz SYYRQEUORRLLLT-HUUCEWRRSA-N 1 1 340.468 0.866 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001050314285 760108735 /nfs/dbraw/zinc/10/87/35/760108735.db2.gz VBQFPQLQDWLABS-HUUCEWRRSA-N 1 1 334.420 0.747 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)[C@@H]1C ZINC001050319856 760117796 /nfs/dbraw/zinc/11/77/96/760117796.db2.gz YCWCKWZDKBWHTF-DOMZBBRYSA-N 1 1 339.403 0.945 20 30 ECEDMO C[C@]12CN(C(=O)c3cscn3)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101169812 760548695 /nfs/dbraw/zinc/54/86/95/760548695.db2.gz YNJHPQKXMPLTAC-ABAIWWIYSA-N 1 1 333.417 0.177 20 30 ECEDMO C[C@]12CN(C(=O)c3cscn3)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101169812 760548701 /nfs/dbraw/zinc/54/87/01/760548701.db2.gz YNJHPQKXMPLTAC-ABAIWWIYSA-N 1 1 333.417 0.177 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001050649459 760626458 /nfs/dbraw/zinc/62/64/58/760626458.db2.gz PCUPKWRWRORQEY-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)onc2CC)C1 ZINC000991390300 760656024 /nfs/dbraw/zinc/65/60/24/760656024.db2.gz CCWSTJYCWPLUPP-HNNXBMFYSA-N 1 1 344.415 0.584 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)onc2CC)C1 ZINC000991390300 760656027 /nfs/dbraw/zinc/65/60/27/760656027.db2.gz CCWSTJYCWPLUPP-HNNXBMFYSA-N 1 1 344.415 0.584 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001048530884 760669785 /nfs/dbraw/zinc/66/97/85/760669785.db2.gz OCRKATGFDNBJPT-JYJNAYRXSA-N 1 1 337.464 0.856 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001106226016 767971086 /nfs/dbraw/zinc/97/10/86/767971086.db2.gz OLZIWEJQXSYKQX-QLFBSQMISA-N 1 1 345.447 0.164 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC#N)C1 ZINC001048558640 760715448 /nfs/dbraw/zinc/71/54/48/760715448.db2.gz YSCVRIADUMVBOI-YVSFHVDLSA-N 1 1 334.464 0.978 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001030025631 760724835 /nfs/dbraw/zinc/72/48/35/760724835.db2.gz FLCCMWMHGCYTPQ-OAGGEKHMSA-N 1 1 334.464 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC000995920029 760776892 /nfs/dbraw/zinc/77/68/92/760776892.db2.gz XTGBBRUDRZUJKP-KRWDZBQOSA-N 1 1 340.427 0.542 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC000995920029 760776901 /nfs/dbraw/zinc/77/69/01/760776901.db2.gz XTGBBRUDRZUJKP-KRWDZBQOSA-N 1 1 340.427 0.542 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995926134 760788759 /nfs/dbraw/zinc/78/87/59/760788759.db2.gz TZFFAQWBFQTCNG-HOTGVXAUSA-N 1 1 344.463 0.239 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnoc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001083665158 760797748 /nfs/dbraw/zinc/79/77/48/760797748.db2.gz SATVOMLJUDLRPB-KGLIPLIRSA-N 1 1 331.376 0.426 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnoc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001083665158 760797754 /nfs/dbraw/zinc/79/77/54/760797754.db2.gz SATVOMLJUDLRPB-KGLIPLIRSA-N 1 1 331.376 0.426 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)C#N)C[C@H](C)O2 ZINC001111538473 760798479 /nfs/dbraw/zinc/79/84/79/760798479.db2.gz KAEWTQAOXGSCHL-CABCVRRESA-N 1 1 348.447 0.530 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1 ZINC000995911511 760804656 /nfs/dbraw/zinc/80/46/56/760804656.db2.gz YQOIXSUEYSLAMJ-VRKREXBASA-N 1 1 341.415 0.842 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cncc(-n3ccnn3)c2)[C@@H](O)C1 ZINC001083671737 760916131 /nfs/dbraw/zinc/91/61/31/760916131.db2.gz YFWCRBKMMOYMSB-CABCVRRESA-N 1 1 328.376 0.013 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cncc(-n3ccnn3)c2)[C@@H](O)C1 ZINC001083671737 760916134 /nfs/dbraw/zinc/91/61/34/760916134.db2.gz YFWCRBKMMOYMSB-CABCVRRESA-N 1 1 328.376 0.013 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccc[nH]4)C[C@H]3C2)C1=O ZINC001048676452 760917509 /nfs/dbraw/zinc/91/75/09/760917509.db2.gz DLBAJBKKXSODPT-IJEWVQPXSA-N 1 1 328.416 0.805 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cccc(C#N)c1 ZINC001050838354 760968779 /nfs/dbraw/zinc/96/87/79/760968779.db2.gz KVKNOMVNJBMYBI-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001048712032 760997374 /nfs/dbraw/zinc/99/73/74/760997374.db2.gz JVCAHXRXASUBBT-HOTGVXAUSA-N 1 1 337.464 0.550 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](CC)OC)C[C@H]3C2)C1=O ZINC001048715714 761009531 /nfs/dbraw/zinc/00/95/31/761009531.db2.gz OMXVMJITMHYUCE-QKPAOTATSA-N 1 1 335.448 0.589 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@@H]2CCOC2)c1 ZINC001050864285 761032264 /nfs/dbraw/zinc/03/22/64/761032264.db2.gz AAAAAFNMPMKZIU-HIFRSBDPSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@H+]2CC[C@@H]2CCOC2)c1 ZINC001050864285 761032276 /nfs/dbraw/zinc/03/22/76/761032276.db2.gz AAAAAFNMPMKZIU-HIFRSBDPSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@@H]2CCOC2)[nH]1 ZINC001050872095 761045015 /nfs/dbraw/zinc/04/50/15/761045015.db2.gz JQPDCQNEBHUGCS-UKRRQHHQSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@@H]2CCOC2)[nH]1 ZINC001050872095 761045027 /nfs/dbraw/zinc/04/50/27/761045027.db2.gz JQPDCQNEBHUGCS-UKRRQHHQSA-N 1 1 332.404 0.744 20 30 ECEDMO Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)on1 ZINC001048725027 761046878 /nfs/dbraw/zinc/04/68/78/761046878.db2.gz MXQWSNPTIMFPRO-CABNGKKXSA-N 1 1 345.403 0.860 20 30 ECEDMO Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)on1 ZINC001048725027 761046890 /nfs/dbraw/zinc/04/68/90/761046890.db2.gz MXQWSNPTIMFPRO-CABNGKKXSA-N 1 1 345.403 0.860 20 30 ECEDMO COCc1noc([C@H](C)[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1 ZINC001048726563 761050876 /nfs/dbraw/zinc/05/08/76/761050876.db2.gz FVSXFFQEEZLSRT-ZDEQEGDKSA-N 1 1 333.392 0.827 20 30 ECEDMO COCc1noc([C@H](C)[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1 ZINC001048726563 761050886 /nfs/dbraw/zinc/05/08/86/761050886.db2.gz FVSXFFQEEZLSRT-ZDEQEGDKSA-N 1 1 333.392 0.827 20 30 ECEDMO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1C1CC1 ZINC001048728032 761055533 /nfs/dbraw/zinc/05/55/33/761055533.db2.gz RPWRVOMDSSYLNV-FPMFFAJLSA-N 1 1 328.420 0.971 20 30 ECEDMO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1C1CC1 ZINC001048728032 761055539 /nfs/dbraw/zinc/05/55/39/761055539.db2.gz RPWRVOMDSSYLNV-FPMFFAJLSA-N 1 1 328.420 0.971 20 30 ECEDMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001048732688 761068064 /nfs/dbraw/zinc/06/80/64/761068064.db2.gz KPHJUGLRSUZMMV-GASCZTMLSA-N 1 1 345.830 0.957 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)c1 ZINC001048733554 761070376 /nfs/dbraw/zinc/07/03/76/761070376.db2.gz IPAQJGSMBUXZPH-OKILXGFUSA-N 1 1 330.363 0.463 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnns4)C[C@@H]3C2)c1 ZINC001048749934 761108644 /nfs/dbraw/zinc/10/86/44/761108644.db2.gz RWXJOHJVPPGMOQ-TXEJJXNPSA-N 1 1 328.401 0.942 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@H+](Cc4cnns4)C[C@@H]3C2)c1 ZINC001048749934 761108647 /nfs/dbraw/zinc/10/86/47/761108647.db2.gz RWXJOHJVPPGMOQ-TXEJJXNPSA-N 1 1 328.401 0.942 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001030031469 761201756 /nfs/dbraw/zinc/20/17/56/761201756.db2.gz NEDHAZOJLKEEGF-PMPSAXMXSA-N 1 1 334.464 0.141 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001030031469 761201761 /nfs/dbraw/zinc/20/17/61/761201761.db2.gz NEDHAZOJLKEEGF-PMPSAXMXSA-N 1 1 334.464 0.141 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C3CC3)C[C@@]2(C)C1 ZINC000993070322 768017718 /nfs/dbraw/zinc/01/77/18/768017718.db2.gz SBBBVXFZJDTPBQ-GJYPPUQNSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C3CC3)C[C@@]2(C)C1 ZINC000993070322 768017722 /nfs/dbraw/zinc/01/77/22/768017722.db2.gz SBBBVXFZJDTPBQ-GJYPPUQNSA-N 1 1 329.444 0.801 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COCCN1CC ZINC001050993377 761289409 /nfs/dbraw/zinc/28/94/09/761289409.db2.gz SYLWOYOWXPTZBH-JKSUJKDBSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COCCN1CC ZINC001050993377 761289413 /nfs/dbraw/zinc/28/94/13/761289413.db2.gz SYLWOYOWXPTZBH-JKSUJKDBSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001051011129 761331905 /nfs/dbraw/zinc/33/19/05/761331905.db2.gz HFGZFOWDPVBTLK-GJZGRUSLSA-N 1 1 338.452 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001051011129 761331913 /nfs/dbraw/zinc/33/19/13/761331913.db2.gz HFGZFOWDPVBTLK-GJZGRUSLSA-N 1 1 338.452 0.560 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nnc(-c4ccco4)n3)CCC[C@H]12 ZINC000991542796 761479212 /nfs/dbraw/zinc/47/92/12/761479212.db2.gz RZPCXPPZVNZDDW-YOEHRIQHSA-N 1 1 340.387 0.680 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001054548885 768038572 /nfs/dbraw/zinc/03/85/72/768038572.db2.gz QNCFJGLASDIACY-RISCZKNCSA-N 1 1 342.407 0.704 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001051189722 761650067 /nfs/dbraw/zinc/65/00/67/761650067.db2.gz PQSRHZZXBCPVDY-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]([C@H](C)NC(=O)CSCC#N)C1 ZINC001051205729 761685510 /nfs/dbraw/zinc/68/55/10/761685510.db2.gz MPUXTIAYXNFEAA-KBPBESRZSA-N 1 1 349.460 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H]2CCCOC2)cn1 ZINC001051211309 761697275 /nfs/dbraw/zinc/69/72/75/761697275.db2.gz CSCJNPYYUDJCII-CRAIPNDOSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H]2CCCOC2)cn1 ZINC001051211309 761697278 /nfs/dbraw/zinc/69/72/78/761697278.db2.gz CSCJNPYYUDJCII-CRAIPNDOSA-N 1 1 343.427 0.920 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2CC#Cc2ccccc2)C1 ZINC001051242870 761747640 /nfs/dbraw/zinc/74/76/40/761747640.db2.gz ZBLURNWNMNZIIT-OALUTQOASA-N 1 1 341.455 0.807 20 30 ECEDMO C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001051255868 761776756 /nfs/dbraw/zinc/77/67/56/761776756.db2.gz UIVVDSYMDRKQHJ-KGLIPLIRSA-N 1 1 331.844 0.277 20 30 ECEDMO C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001051255868 761776762 /nfs/dbraw/zinc/77/67/62/761776762.db2.gz UIVVDSYMDRKQHJ-KGLIPLIRSA-N 1 1 331.844 0.277 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H](C)NC(N)=O)C2)nn1 ZINC001098676763 762709780 /nfs/dbraw/zinc/70/97/80/762709780.db2.gz VJVXSXLCMRYDIV-OCCSQVGLSA-N 1 1 349.439 0.164 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3ccn(CC)n3)C2)C1=O ZINC001014512048 762778290 /nfs/dbraw/zinc/77/82/90/762778290.db2.gz MXLGJDZBHASZDV-HZPDHXFCSA-N 1 1 345.447 0.423 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3ccn(CC)n3)C2)C1=O ZINC001014512048 762778295 /nfs/dbraw/zinc/77/82/95/762778295.db2.gz MXLGJDZBHASZDV-HZPDHXFCSA-N 1 1 345.447 0.423 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)C2)cc1C#N ZINC001014564465 762836399 /nfs/dbraw/zinc/83/63/99/762836399.db2.gz IQDSIMCYBUCDJM-OAHLLOKOSA-N 1 1 340.387 0.549 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3nccn3)C2)cc1C#N ZINC001014564465 762836404 /nfs/dbraw/zinc/83/64/04/762836404.db2.gz IQDSIMCYBUCDJM-OAHLLOKOSA-N 1 1 340.387 0.549 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)C2)cc1C#N ZINC001014564462 762836443 /nfs/dbraw/zinc/83/64/43/762836443.db2.gz IQDSIMCYBUCDJM-HNNXBMFYSA-N 1 1 340.387 0.549 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3nccn3)C2)cc1C#N ZINC001014564462 762836449 /nfs/dbraw/zinc/83/64/49/762836449.db2.gz IQDSIMCYBUCDJM-HNNXBMFYSA-N 1 1 340.387 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn(C)n3)C2)cc1 ZINC001051747647 762862537 /nfs/dbraw/zinc/86/25/37/762862537.db2.gz PNAQSOORAPOXEG-KRWDZBQOSA-N 1 1 339.399 0.427 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991716725 762931168 /nfs/dbraw/zinc/93/11/68/762931168.db2.gz NHQXTCRCYFRLNZ-CYBMUJFWSA-N 1 1 344.415 0.539 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)ccc1F ZINC001014711012 763025979 /nfs/dbraw/zinc/02/59/79/763025979.db2.gz KYHVVGOCLDUWOF-ZFWWWQNUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)ccc1F ZINC001014711012 763025987 /nfs/dbraw/zinc/02/59/87/763025987.db2.gz KYHVVGOCLDUWOF-ZFWWWQNUSA-N 1 1 344.390 0.914 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H](C[NH2+][C@@H](C)c3nnnn3C)C2)C1 ZINC001051814949 763029337 /nfs/dbraw/zinc/02/93/37/763029337.db2.gz MVUGNXSWCOWBMQ-STQMWFEESA-N 1 1 334.424 0.444 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncc(C)o3)C2)c1 ZINC001051816170 763031873 /nfs/dbraw/zinc/03/18/73/763031873.db2.gz HLIZKFCGZLWAJH-MRXNPFEDSA-N 1 1 340.383 0.990 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001014732240 763050871 /nfs/dbraw/zinc/05/08/71/763050871.db2.gz RTLWMZIOJJPBCK-CQSZACIVSA-N 1 1 331.420 0.503 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046778163 763111504 /nfs/dbraw/zinc/11/15/04/763111504.db2.gz CFTWLNGDEJQSAQ-QFBILLFUSA-N 1 1 325.412 0.897 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046778163 763111509 /nfs/dbraw/zinc/11/15/09/763111509.db2.gz CFTWLNGDEJQSAQ-QFBILLFUSA-N 1 1 325.412 0.897 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC3CC3)C2)nc1 ZINC001046781815 763117744 /nfs/dbraw/zinc/11/77/44/763117744.db2.gz QBUOEBSBVAOQBE-SFHVURJKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC3CC3)C2)nc1 ZINC001046781815 763117748 /nfs/dbraw/zinc/11/77/48/763117748.db2.gz QBUOEBSBVAOQBE-SFHVURJKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001046782700 763118720 /nfs/dbraw/zinc/11/87/20/763118720.db2.gz DHUAXLTYWNSPTI-CRAIPNDOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001046782700 763118725 /nfs/dbraw/zinc/11/87/25/763118725.db2.gz DHUAXLTYWNSPTI-CRAIPNDOSA-N 1 1 326.400 0.536 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3cc(C)on3)C2)nn1 ZINC001051859922 763134927 /nfs/dbraw/zinc/13/49/27/763134927.db2.gz HIGRLNSXQFRIBI-CQSZACIVSA-N 1 1 346.391 0.391 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(CC)o2)C1 ZINC001014777249 763135666 /nfs/dbraw/zinc/13/56/66/763135666.db2.gz WAYLXTOFAIIQDO-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(CC)o2)C1 ZINC001014777249 763135675 /nfs/dbraw/zinc/13/56/75/763135675.db2.gz WAYLXTOFAIIQDO-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cncc(OC)n2)C1 ZINC001014778339 763138822 /nfs/dbraw/zinc/13/88/22/763138822.db2.gz DJDFQPGNMKTJAH-ZBFHGGJFSA-N 1 1 343.431 0.273 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cncc(OC)n2)C1 ZINC001014778339 763138826 /nfs/dbraw/zinc/13/88/26/763138826.db2.gz DJDFQPGNMKTJAH-ZBFHGGJFSA-N 1 1 343.431 0.273 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)nc1OC ZINC001089846183 763140973 /nfs/dbraw/zinc/14/09/73/763140973.db2.gz KOMGNXVAEKESFK-NHIYQJMISA-N 1 1 328.416 0.844 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001046806971 763149864 /nfs/dbraw/zinc/14/98/64/763149864.db2.gz WHDJHRSEDARAOT-KRWDZBQOSA-N 1 1 325.372 0.948 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001051867384 763153080 /nfs/dbraw/zinc/15/30/80/763153080.db2.gz IIJCMHPYCUKLGS-YCPHGPKFSA-N 1 1 349.435 0.113 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+]C[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001051876698 763182361 /nfs/dbraw/zinc/18/23/61/763182361.db2.gz SPZMVGTXLFBWST-AWEZNQCLSA-N 1 1 345.334 0.711 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001105983093 763235737 /nfs/dbraw/zinc/23/57/37/763235737.db2.gz VWEHTIWUCGWDQF-UKRRQHHQSA-N 1 1 346.435 0.500 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001014840818 763286997 /nfs/dbraw/zinc/28/69/97/763286997.db2.gz UIBFAODFEABPLG-RYUDHWBXSA-N 1 1 333.392 0.015 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001014840818 763287002 /nfs/dbraw/zinc/28/70/02/763287002.db2.gz UIBFAODFEABPLG-RYUDHWBXSA-N 1 1 333.392 0.015 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089858946 763288228 /nfs/dbraw/zinc/28/82/28/763288228.db2.gz NEDLWGCPCOURLT-YFKTTZPYSA-N 1 1 342.237 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nncs3)C2)nc1 ZINC001051908276 763302477 /nfs/dbraw/zinc/30/24/77/763302477.db2.gz HARFYOQAMPJKRM-ZDUSSCGKSA-N 1 1 343.412 0.545 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncccn3)C2)nc1 ZINC001051908840 763303680 /nfs/dbraw/zinc/30/36/80/763303680.db2.gz MWBYTPXAKDWPKW-OAHLLOKOSA-N 1 1 337.383 0.484 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)s1 ZINC001014861856 763324577 /nfs/dbraw/zinc/32/45/77/763324577.db2.gz ZIJDYPPNGQHELC-BXUZGUMPSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)s1 ZINC001014861856 763324585 /nfs/dbraw/zinc/32/45/85/763324585.db2.gz ZIJDYPPNGQHELC-BXUZGUMPSA-N 1 1 332.429 0.979 20 30 ECEDMO CN(CCOCCNc1ccncc1C#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001127319765 768131068 /nfs/dbraw/zinc/13/10/68/768131068.db2.gz BRLHBRGZUHRBPO-AWEZNQCLSA-N 1 1 331.420 0.214 20 30 ECEDMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n1C ZINC001083728018 768126005 /nfs/dbraw/zinc/12/60/05/768126005.db2.gz ATFCYLUAINEDFF-WBVHZDCISA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n1C ZINC001083728018 768126008 /nfs/dbraw/zinc/12/60/08/768126008.db2.gz ATFCYLUAINEDFF-WBVHZDCISA-N 1 1 339.399 0.575 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001046930985 763408444 /nfs/dbraw/zinc/40/84/44/763408444.db2.gz NZPCDPPCTZRLIM-KBPBESRZSA-N 1 1 329.391 0.414 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001046930985 763408450 /nfs/dbraw/zinc/40/84/50/763408450.db2.gz NZPCDPPCTZRLIM-KBPBESRZSA-N 1 1 329.391 0.414 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ncccc3C#N)C2)C1 ZINC001051947592 763417354 /nfs/dbraw/zinc/41/73/54/763417354.db2.gz IQSXDMLEQUPNLJ-BCLQGDPASA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ncccc3C#N)C2)C1 ZINC001051947592 763417360 /nfs/dbraw/zinc/41/73/60/763417360.db2.gz IQSXDMLEQUPNLJ-BCLQGDPASA-N 1 1 343.431 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 ZINC001120400839 763431334 /nfs/dbraw/zinc/43/13/34/763431334.db2.gz FIEJPZVAMMXWOP-LSDHHAIUSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)NC2CCCCC2)C1 ZINC001030461854 763432551 /nfs/dbraw/zinc/43/25/51/763432551.db2.gz BDUZMHUXZLYMOS-KRWDZBQOSA-N 1 1 346.475 0.333 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)NC2CCCCC2)C1 ZINC001030461854 763432559 /nfs/dbraw/zinc/43/25/59/763432559.db2.gz BDUZMHUXZLYMOS-KRWDZBQOSA-N 1 1 346.475 0.333 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3nn[n-]c3n2)C1 ZINC001046943992 763432959 /nfs/dbraw/zinc/43/29/59/763432959.db2.gz ZBQSVFUSFUWXJP-JTQLQIEISA-N 1 1 334.330 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3nn[n-]c3n2)C1 ZINC001046943992 763432963 /nfs/dbraw/zinc/43/29/63/763432963.db2.gz ZBQSVFUSFUWXJP-JTQLQIEISA-N 1 1 334.330 0.673 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001046943992 763432965 /nfs/dbraw/zinc/43/29/65/763432965.db2.gz ZBQSVFUSFUWXJP-JTQLQIEISA-N 1 1 334.330 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001046943992 763432967 /nfs/dbraw/zinc/43/29/67/763432967.db2.gz ZBQSVFUSFUWXJP-JTQLQIEISA-N 1 1 334.330 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C3CC3)o2)C1 ZINC001030462213 763436929 /nfs/dbraw/zinc/43/69/29/763436929.db2.gz LULUPQWULFPJBQ-AWEZNQCLSA-N 1 1 329.404 0.345 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C3CC3)o2)C1 ZINC001030462213 763436933 /nfs/dbraw/zinc/43/69/33/763436933.db2.gz LULUPQWULFPJBQ-AWEZNQCLSA-N 1 1 329.404 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(CC(C)C)no2)C1 ZINC001030462429 763439302 /nfs/dbraw/zinc/43/93/02/763439302.db2.gz WSMZSRWDLJZNPD-HNNXBMFYSA-N 1 1 345.447 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(CC(C)C)no2)C1 ZINC001030462429 763439306 /nfs/dbraw/zinc/43/93/06/763439306.db2.gz WSMZSRWDLJZNPD-HNNXBMFYSA-N 1 1 345.447 0.666 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)O1 ZINC001046948857 763440689 /nfs/dbraw/zinc/44/06/89/763440689.db2.gz ODJITAVBUFMVNS-JHJVBQTASA-N 1 1 330.379 0.302 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)O1 ZINC001046948857 763440694 /nfs/dbraw/zinc/44/06/94/763440694.db2.gz ODJITAVBUFMVNS-JHJVBQTASA-N 1 1 330.379 0.302 20 30 ECEDMO COCC(=O)N1CC[C@H]([NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC001051956422 763444249 /nfs/dbraw/zinc/44/42/49/763444249.db2.gz NOHPNLDASSVRRB-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO COCC(=O)N1CC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001051956422 763444255 /nfs/dbraw/zinc/44/42/55/763444255.db2.gz NOHPNLDASSVRRB-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc3n(n2)CCCC3)C1 ZINC001030463915 763452240 /nfs/dbraw/zinc/45/22/40/763452240.db2.gz AGJNQHIHACQXFQ-SFHVURJKSA-N 1 1 341.459 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc3n(n2)CCCC3)C1 ZINC001030463915 763452247 /nfs/dbraw/zinc/45/22/47/763452247.db2.gz AGJNQHIHACQXFQ-SFHVURJKSA-N 1 1 341.459 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001046954128 763453975 /nfs/dbraw/zinc/45/39/75/763453975.db2.gz QIJFOYCMXWVAHF-CHWSQXEVSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001046954128 763453979 /nfs/dbraw/zinc/45/39/79/763453979.db2.gz QIJFOYCMXWVAHF-CHWSQXEVSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001046956757 763459594 /nfs/dbraw/zinc/45/95/94/763459594.db2.gz FRHMAAUPHLHHJA-ZDUSSCGKSA-N 1 1 348.357 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001046956950 763459634 /nfs/dbraw/zinc/45/96/34/763459634.db2.gz BOUDCYAAVDCEDB-LLVKDONJSA-N 1 1 325.315 0.699 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001046956950 763459639 /nfs/dbraw/zinc/45/96/39/763459639.db2.gz BOUDCYAAVDCEDB-LLVKDONJSA-N 1 1 325.315 0.699 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[N@@H+](C[C@H](C)O)CCC2(F)F)nn1 ZINC001046978104 763498290 /nfs/dbraw/zinc/49/82/90/763498290.db2.gz PJUFXXADCRVJQO-RYUDHWBXSA-N 1 1 343.378 0.532 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001127320352 768139142 /nfs/dbraw/zinc/13/91/42/768139142.db2.gz RJLLDFVLXJGPJX-OAHLLOKOSA-N 1 1 331.420 0.792 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046981905 763504613 /nfs/dbraw/zinc/50/46/13/763504613.db2.gz IWVPDYBHOVKODD-GFCCVEGCSA-N 1 1 341.358 0.136 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046981905 763504619 /nfs/dbraw/zinc/50/46/19/763504619.db2.gz IWVPDYBHOVKODD-GFCCVEGCSA-N 1 1 341.358 0.136 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001046995374 763534575 /nfs/dbraw/zinc/53/45/75/763534575.db2.gz IOCVCPOQRYCMRJ-GJZGRUSLSA-N 1 1 343.418 0.804 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001046997027 763539640 /nfs/dbraw/zinc/53/96/40/763539640.db2.gz SHGPRZBRJKPQAO-ZIAGYGMSSA-N 1 1 345.390 0.493 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052026779 763619805 /nfs/dbraw/zinc/61/98/05/763619805.db2.gz SYKVGVWEKMEHKG-SJORKVTESA-N 1 1 333.480 0.601 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(OC)ncn3)C2)CC1 ZINC001052028956 763625389 /nfs/dbraw/zinc/62/53/89/763625389.db2.gz VFWRAAKAVSQYSC-AWEZNQCLSA-N 1 1 331.420 0.503 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033999 763638026 /nfs/dbraw/zinc/63/80/26/763638026.db2.gz YUGJBMLESNGOAG-IRXDYDNUSA-N 1 1 346.475 0.095 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052035628 763643902 /nfs/dbraw/zinc/64/39/02/763643902.db2.gz LWNLRTOVNQYCQE-SJORKVTESA-N 1 1 333.480 0.603 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C4CC4)n(C)n3)C2)CC1 ZINC001052035833 763644424 /nfs/dbraw/zinc/64/44/24/763644424.db2.gz QZEFPRFMYZAWMZ-MRXNPFEDSA-N 1 1 341.459 0.763 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(C)nc3OC)C2)CC1 ZINC001052035781 763644543 /nfs/dbraw/zinc/64/45/43/763644543.db2.gz POCQOTQOESBJOC-OAHLLOKOSA-N 1 1 345.447 0.812 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052036018 763646795 /nfs/dbraw/zinc/64/67/95/763646795.db2.gz XCWXMSCJSVIFDU-KRWDZBQOSA-N 1 1 341.459 0.685 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C2)CC1 ZINC001052041843 763669761 /nfs/dbraw/zinc/66/97/61/763669761.db2.gz SWOKJIWDVJLQSS-QGZVFWFLSA-N 1 1 343.475 0.756 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)CC1 ZINC001052050741 763708455 /nfs/dbraw/zinc/70/84/55/763708455.db2.gz YNEOXXFECWTUPK-DLBZAZTESA-N 1 1 346.475 0.287 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)ccc1F ZINC001015040839 763730623 /nfs/dbraw/zinc/73/06/23/763730623.db2.gz BNLAOGURVFPMAS-DZGCQCFKSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)ccc1F ZINC001015040839 763730631 /nfs/dbraw/zinc/73/06/31/763730631.db2.gz BNLAOGURVFPMAS-DZGCQCFKSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)ccc1F ZINC001015040842 763730961 /nfs/dbraw/zinc/73/09/61/763730961.db2.gz BNLAOGURVFPMAS-UKRRQHHQSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)ccc1F ZINC001015040842 763730966 /nfs/dbraw/zinc/73/09/66/763730966.db2.gz BNLAOGURVFPMAS-UKRRQHHQSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cc1F ZINC001015041278 763731658 /nfs/dbraw/zinc/73/16/58/763731658.db2.gz DJCBCRORRCNNOS-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cc1F ZINC001015041278 763731664 /nfs/dbraw/zinc/73/16/64/763731664.db2.gz DJCBCRORRCNNOS-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cc1F ZINC001015041276 763731760 /nfs/dbraw/zinc/73/17/60/763731760.db2.gz DJCBCRORRCNNOS-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cc1F ZINC001015041276 763731765 /nfs/dbraw/zinc/73/17/65/763731765.db2.gz DJCBCRORRCNNOS-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)s1 ZINC001015046233 763746475 /nfs/dbraw/zinc/74/64/75/763746475.db2.gz YSWFTPUGZZLQPJ-NWDGAFQWSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)s1 ZINC001015046233 763746484 /nfs/dbraw/zinc/74/64/84/763746484.db2.gz YSWFTPUGZZLQPJ-NWDGAFQWSA-N 1 1 332.429 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(Cc3cn(C)nn3)CC2)C1 ZINC001052062764 763748002 /nfs/dbraw/zinc/74/80/02/763748002.db2.gz NNXVCVNADHGHLN-INIZCTEOSA-N 1 1 346.479 0.746 20 30 ECEDMO CCOC1CC(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052068313 763761953 /nfs/dbraw/zinc/76/19/53/763761953.db2.gz FKWXYMFHSSYDKB-CGZBRXJRSA-N 1 1 334.464 0.934 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C2)CC1 ZINC001052077292 763786163 /nfs/dbraw/zinc/78/61/63/763786163.db2.gz QPPGQDCHZRJWNW-OAHLLOKOSA-N 1 1 347.463 0.924 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052078726 763790748 /nfs/dbraw/zinc/79/07/48/763790748.db2.gz AGRBIBWXXRHJFC-DLBZAZTESA-N 1 1 346.475 0.287 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001047216773 763811255 /nfs/dbraw/zinc/81/12/55/763811255.db2.gz INSHEUVZYRUOSL-BFHYXJOUSA-N 1 1 328.420 0.561 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3c[nH]nn3)C2)CC1 ZINC001052087248 763816247 /nfs/dbraw/zinc/81/62/47/763816247.db2.gz QFLKSTKBPCRHQU-QGZVFWFLSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cnn[nH]3)C2)CC1 ZINC001052087248 763816255 /nfs/dbraw/zinc/81/62/55/763816255.db2.gz QFLKSTKBPCRHQU-QGZVFWFLSA-N 1 1 346.479 0.922 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2C[NH+]([C@H]3CCN(CC=C)C3=O)C2)c1 ZINC001031963015 763822455 /nfs/dbraw/zinc/82/24/55/763822455.db2.gz AYNOGELNLIIZNV-KRWDZBQOSA-N 1 1 338.411 0.511 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001047234517 763823414 /nfs/dbraw/zinc/82/34/14/763823414.db2.gz WNPFGGPHNKNWNS-IMJJTQAJSA-N 1 1 343.431 0.981 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001047234517 763823422 /nfs/dbraw/zinc/82/34/22/763823422.db2.gz WNPFGGPHNKNWNS-IMJJTQAJSA-N 1 1 343.431 0.981 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001052091378 763831548 /nfs/dbraw/zinc/83/15/48/763831548.db2.gz BJTCWLDRDWKAGJ-IBGZPJMESA-N 1 1 346.519 0.960 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)CC1 ZINC001052092072 763831878 /nfs/dbraw/zinc/83/18/78/763831878.db2.gz QMYJHAHMSSAMHK-FGTMMUONSA-N 1 1 343.475 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)CC1 ZINC001052092072 763831888 /nfs/dbraw/zinc/83/18/88/763831888.db2.gz QMYJHAHMSSAMHK-FGTMMUONSA-N 1 1 343.475 0.928 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4cccnn34)C2)CC1 ZINC001052093065 763835549 /nfs/dbraw/zinc/83/55/49/763835549.db2.gz JVZIFBIFAZQNNN-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(C)nc3C)C2)CC1 ZINC001052099403 763856930 /nfs/dbraw/zinc/85/69/30/763856930.db2.gz IKTHWZHAYJONTD-MRXNPFEDSA-N 1 1 327.432 0.559 20 30 ECEDMO CN(C(=O)C1CCOCC1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047278174 763867266 /nfs/dbraw/zinc/86/72/66/763867266.db2.gz KZWQIJXDXBQHFM-ROUUACIJSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)C1CCOCC1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047278174 763867273 /nfs/dbraw/zinc/86/72/73/763867273.db2.gz KZWQIJXDXBQHFM-ROUUACIJSA-N 1 1 343.427 0.988 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 ZINC001106026705 763874828 /nfs/dbraw/zinc/87/48/28/763874828.db2.gz PHDUJNYQPOIUAW-CQSZACIVSA-N 1 1 328.376 0.356 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052105307 763875935 /nfs/dbraw/zinc/87/59/35/763875935.db2.gz HVVJZMIJRBTVNR-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C[C@H](CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)N1CCCC1=O ZINC001052106047 763878461 /nfs/dbraw/zinc/87/84/61/763878461.db2.gz ABNHLYZXXITJNI-CVEARBPZSA-N 1 1 347.463 0.129 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C2)CC1 ZINC001052106951 763883367 /nfs/dbraw/zinc/88/33/67/763883367.db2.gz XRGJUICQNJSQHQ-INIZCTEOSA-N 1 1 326.444 0.969 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC001052113197 763910996 /nfs/dbraw/zinc/91/09/96/763910996.db2.gz OZVNYKJCGYOHBM-MRXNPFEDSA-N 1 1 328.416 0.807 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3Cc4cccnc4C3)C2)CC1 ZINC001052113402 763912401 /nfs/dbraw/zinc/91/24/01/763912401.db2.gz UPAKDLHNGYSPTL-SJORKVTESA-N 1 1 339.443 0.538 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113521 763912643 /nfs/dbraw/zinc/91/26/43/763912643.db2.gz XSNRZVUUTZCYPI-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3csc(C)n3)C2)CC1 ZINC001052115121 763919024 /nfs/dbraw/zinc/91/90/24/763919024.db2.gz SZXTZNMCFLGFLR-INIZCTEOSA-N 1 1 332.473 0.846 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c4ncccc34)C2)CC1 ZINC001052116893 763925686 /nfs/dbraw/zinc/92/56/86/763925686.db2.gz AAXYNBCTARKBEA-CQSZACIVSA-N 1 1 338.415 0.919 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(C)c3C3CC3)C2)CC1 ZINC001052123856 763951490 /nfs/dbraw/zinc/95/14/90/763951490.db2.gz RQMOFCWQURTRED-INIZCTEOSA-N 1 1 341.459 0.763 20 30 ECEDMO Cc1cc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]n1 ZINC001047315684 763970607 /nfs/dbraw/zinc/97/06/07/763970607.db2.gz LPUWQUSIQAYANE-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]n1 ZINC001047315684 763970613 /nfs/dbraw/zinc/97/06/13/763970613.db2.gz LPUWQUSIQAYANE-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3ccc(C)n3)[C@H]2C)C1=O ZINC001088866196 764022986 /nfs/dbraw/zinc/02/29/86/764022986.db2.gz DUKKGZLBPVBDHW-PMPSAXMXSA-N 1 1 345.447 0.557 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3ccc(C)n3)[C@H]2C)C1=O ZINC001088866196 764022994 /nfs/dbraw/zinc/02/29/94/764022994.db2.gz DUKKGZLBPVBDHW-PMPSAXMXSA-N 1 1 345.447 0.557 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1C ZINC000947900679 764070881 /nfs/dbraw/zinc/07/08/81/764070881.db2.gz URGRFFGNVMBJTN-GJZGRUSLSA-N 1 1 345.447 0.374 20 30 ECEDMO CN(C(=O)c1cn(C)cn1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047350273 764077923 /nfs/dbraw/zinc/07/79/23/764077923.db2.gz WEJWTABCZKIQKV-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO CN(C(=O)c1cn(C)cn1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047350273 764077927 /nfs/dbraw/zinc/07/79/27/764077927.db2.gz WEJWTABCZKIQKV-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001047353595 764089095 /nfs/dbraw/zinc/08/90/95/764089095.db2.gz HGINQSKXKPMVJZ-PMPSAXMXSA-N 1 1 346.431 0.819 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001047354443 764092040 /nfs/dbraw/zinc/09/20/40/764092040.db2.gz XWYSJHMORMLPFY-PVAVHDDUSA-N 1 1 346.431 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(OC)nc3)C2)C1=O ZINC001015185858 764097809 /nfs/dbraw/zinc/09/78/09/764097809.db2.gz KUMFHTFKFRJOFO-GJZGRUSLSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(OC)nc3)C2)C1=O ZINC001015185858 764097818 /nfs/dbraw/zinc/09/78/18/764097818.db2.gz KUMFHTFKFRJOFO-GJZGRUSLSA-N 1 1 344.415 0.681 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(N(C)C)cn2)C1 ZINC001047381040 764171250 /nfs/dbraw/zinc/17/12/50/764171250.db2.gz CTIQYWGKVPXZBV-GJZGRUSLSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccn(CC)n3)C2)C1=O ZINC001032028728 764195204 /nfs/dbraw/zinc/19/52/04/764195204.db2.gz ZCEZXNYXBJPXNT-HNNXBMFYSA-N 1 1 331.420 0.352 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)c1 ZINC001052290298 764201834 /nfs/dbraw/zinc/20/18/34/764201834.db2.gz MZOPQOIJVAJTAL-TZMCWYRMSA-N 1 1 343.387 0.276 20 30 ECEDMO C=CCn1cc(C(=O)NCC2C[NH+]([C@@H]3CCN(C(C)C)C3=O)C2)nn1 ZINC001032034956 764226507 /nfs/dbraw/zinc/22/65/07/764226507.db2.gz JMVLKQBUEOBSGV-OAHLLOKOSA-N 1 1 346.435 0.135 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001047406054 764240687 /nfs/dbraw/zinc/24/06/87/764240687.db2.gz KEVUDDWLWQCDNU-IRXDYDNUSA-N 1 1 341.415 0.556 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001047406054 764240690 /nfs/dbraw/zinc/24/06/90/764240690.db2.gz KEVUDDWLWQCDNU-IRXDYDNUSA-N 1 1 341.415 0.556 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC(=O)N2)C1 ZINC000995261128 764242874 /nfs/dbraw/zinc/24/28/74/764242874.db2.gz SEKNIIDETJGIQF-DLBZAZTESA-N 1 1 340.427 0.644 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001106987262 764268170 /nfs/dbraw/zinc/26/81/70/764268170.db2.gz AFTDPWWITLTLKY-AWEZNQCLSA-N 1 1 330.436 0.905 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001106987696 764273906 /nfs/dbraw/zinc/27/39/06/764273906.db2.gz USPMOIOGOMHUCY-VXGBXAGGSA-N 1 1 325.376 0.557 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001047415356 764275489 /nfs/dbraw/zinc/27/54/89/764275489.db2.gz VLDXHKHFYZILRY-XSLAGTTESA-N 1 1 349.475 0.014 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001083778562 764298569 /nfs/dbraw/zinc/29/85/69/764298569.db2.gz QEIADSZDCONUKM-OLMNPRSZSA-N 1 1 342.443 0.704 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001047427436 764312649 /nfs/dbraw/zinc/31/26/49/764312649.db2.gz QZSIGFHHHGIEJZ-KBMXLJTQSA-N 1 1 330.432 0.606 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001047427436 764312654 /nfs/dbraw/zinc/31/26/54/764312654.db2.gz QZSIGFHHHGIEJZ-KBMXLJTQSA-N 1 1 330.432 0.606 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001047427721 764313733 /nfs/dbraw/zinc/31/37/33/764313733.db2.gz CPXLTSOXKKHXBT-PMPSAXMXSA-N 1 1 330.432 0.281 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001047428076 764316672 /nfs/dbraw/zinc/31/66/72/764316672.db2.gz WOJYPPMUSPHRKE-PMPSAXMXSA-N 1 1 332.448 0.834 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cn(C)nn3)CC2)C1=O ZINC001052358398 764325658 /nfs/dbraw/zinc/32/56/58/764325658.db2.gz HQUBQFTZOZHATH-DZGCQCFKSA-N 1 1 346.435 0.186 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001047441819 764358282 /nfs/dbraw/zinc/35/82/82/764358282.db2.gz MKTHKOGTADDWDV-KBPBESRZSA-N 1 1 330.388 0.269 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3cccnc3n2)C1 ZINC001047441858 764358777 /nfs/dbraw/zinc/35/87/77/764358777.db2.gz NQRIPVQMGNAMHF-GJZGRUSLSA-N 1 1 329.404 0.813 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)CC2)c1 ZINC001052379058 764366472 /nfs/dbraw/zinc/36/64/72/764366472.db2.gz MDVVJSDGHFLOOE-INIZCTEOSA-N 1 1 339.403 0.716 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2OCC(N)=O)C1 ZINC001047449491 764380677 /nfs/dbraw/zinc/38/06/77/764380677.db2.gz AOJHXMDEIFZSSV-GJZGRUSLSA-N 1 1 347.415 0.244 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3cnccc3s2)C1 ZINC001047450902 764384592 /nfs/dbraw/zinc/38/45/92/764384592.db2.gz OIPYCWYJAZYNSR-STQMWFEESA-N 1 1 330.413 0.832 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3cnccc3s2)C1 ZINC001047450902 764384596 /nfs/dbraw/zinc/38/45/96/764384596.db2.gz OIPYCWYJAZYNSR-STQMWFEESA-N 1 1 330.413 0.832 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2CCOC3)C1 ZINC001047453526 764395428 /nfs/dbraw/zinc/39/54/28/764395428.db2.gz JZVVGZYUQXJNQR-ROUUACIJSA-N 1 1 328.412 0.900 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nc(CC)nc2C)C1 ZINC001047463413 764419810 /nfs/dbraw/zinc/41/98/10/764419810.db2.gz HCSUVOSCYZTBQG-IRXDYDNUSA-N 1 1 344.459 0.725 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nc(CC)nc2C)C1 ZINC001047463413 764419815 /nfs/dbraw/zinc/41/98/15/764419815.db2.gz HCSUVOSCYZTBQG-IRXDYDNUSA-N 1 1 344.459 0.725 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001047468318 764428551 /nfs/dbraw/zinc/42/85/51/764428551.db2.gz CHUZTBXGFUYTQZ-GJZGRUSLSA-N 1 1 345.403 0.768 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001047470471 764435529 /nfs/dbraw/zinc/43/55/29/764435529.db2.gz PURBRAWGGMATBU-RDBSUJKOSA-N 1 1 336.461 0.801 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001047470471 764435532 /nfs/dbraw/zinc/43/55/32/764435532.db2.gz PURBRAWGGMATBU-RDBSUJKOSA-N 1 1 336.461 0.801 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001047471635 764438637 /nfs/dbraw/zinc/43/86/37/764438637.db2.gz RCMPUHUVUWNBKN-BPUTZDHNSA-N 1 1 348.447 0.997 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)S(C)(=O)=O ZINC001089872806 764441744 /nfs/dbraw/zinc/44/17/44/764441744.db2.gz JYKRMXVAHSFICJ-XGUBFFRZSA-N 1 1 338.473 0.612 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001047473557 764444678 /nfs/dbraw/zinc/44/46/78/764444678.db2.gz SYATVCOVUNHQQT-KBMXLJTQSA-N 1 1 348.447 0.617 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3cncn3C)C2)nn1 ZINC001098766178 764481227 /nfs/dbraw/zinc/48/12/27/764481227.db2.gz ACGWJGKGYIKMII-OAHLLOKOSA-N 1 1 343.435 0.693 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)ncn3C)C1 ZINC001047483429 764481367 /nfs/dbraw/zinc/48/13/67/764481367.db2.gz LZZYRMCNZNYXRD-GJZGRUSLSA-N 1 1 329.404 0.662 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CNC(=O)C1 ZINC001015379977 764484798 /nfs/dbraw/zinc/48/47/98/764484798.db2.gz ZBNVFYVNAFXSJL-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CNC(=O)C1 ZINC001015379977 764484803 /nfs/dbraw/zinc/48/48/03/764484803.db2.gz ZBNVFYVNAFXSJL-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001077480534 764513623 /nfs/dbraw/zinc/51/36/23/764513623.db2.gz VUZAFXFGZDIACJ-HZPDHXFCSA-N 1 1 325.368 0.739 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001047500385 764523601 /nfs/dbraw/zinc/52/36/01/764523601.db2.gz FFMZDVFTNWKXIE-KSZLIROESA-N 1 1 349.475 0.157 20 30 ECEDMO CN(C(=O)[C@]1(F)CCOC1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047503128 764533059 /nfs/dbraw/zinc/53/30/59/764533059.db2.gz WAFRZIRVAWPHOA-BQFCYCMXSA-N 1 1 347.390 0.690 20 30 ECEDMO CN(C(=O)[C@]1(F)CCOC1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047503128 764533068 /nfs/dbraw/zinc/53/30/68/764533068.db2.gz WAFRZIRVAWPHOA-BQFCYCMXSA-N 1 1 347.390 0.690 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001052457799 764541441 /nfs/dbraw/zinc/54/14/41/764541441.db2.gz VWMIIYIXGFTZMA-MSOLQXFVSA-N 1 1 343.475 0.988 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC4(CC4)C3)C2)C1=O ZINC001047523337 764584726 /nfs/dbraw/zinc/58/47/26/764584726.db2.gz WSTPKOLHVMRSQU-JYJNAYRXSA-N 1 1 347.459 0.467 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC4(CC4)C3)C2)C1=O ZINC001047523337 764584733 /nfs/dbraw/zinc/58/47/33/764584733.db2.gz WSTPKOLHVMRSQU-JYJNAYRXSA-N 1 1 347.459 0.467 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001047525660 764593255 /nfs/dbraw/zinc/59/32/55/764593255.db2.gz XQHFPHOYGQJDCX-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001047525660 764593257 /nfs/dbraw/zinc/59/32/57/764593257.db2.gz XQHFPHOYGQJDCX-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001060406442 764622419 /nfs/dbraw/zinc/62/24/19/764622419.db2.gz ALCVWHCBZIZCPI-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3ccc(OC)nn32)CC1 ZINC001052505822 764641013 /nfs/dbraw/zinc/64/10/13/764641013.db2.gz QBMGYRDKWYRUOO-ZDUSSCGKSA-N 1 1 327.388 0.955 20 30 ECEDMO C=CCCNCc1cn([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098768342 764652239 /nfs/dbraw/zinc/65/22/39/764652239.db2.gz SJHNDAMQBUKBJB-INIZCTEOSA-N 1 1 344.463 0.813 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)Cc3ccccc32)C1 ZINC001047545968 764653618 /nfs/dbraw/zinc/65/36/18/764653618.db2.gz VCXGTFLTWBNGSE-IRXDYDNUSA-N 1 1 341.411 0.103 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)Cc3ccccc32)C1 ZINC001047545968 764653623 /nfs/dbraw/zinc/65/36/23/764653623.db2.gz VCXGTFLTWBNGSE-IRXDYDNUSA-N 1 1 341.411 0.103 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001047549531 764664144 /nfs/dbraw/zinc/66/41/44/764664144.db2.gz UJYMETIYTJVJBU-GJZGRUSLSA-N 1 1 328.372 0.409 20 30 ECEDMO C[C@H](CCNc1ccc(C#N)nc1)NC(=O)CC[NH+]1CCOCC1 ZINC001106383455 768229940 /nfs/dbraw/zinc/22/99/40/768229940.db2.gz UTDQVZNCXROASY-CQSZACIVSA-N 1 1 331.420 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CCCF)C[C@@H]2O)nn1 ZINC001047557970 764690073 /nfs/dbraw/zinc/69/00/73/764690073.db2.gz SMZFVJGLEAIWEC-KBPBESRZSA-N 1 1 325.388 0.331 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001047561419 764696999 /nfs/dbraw/zinc/69/69/99/764696999.db2.gz JCDMXFCNKSCMBU-LTIDMASMSA-N 1 1 348.447 0.368 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001047565236 764705015 /nfs/dbraw/zinc/70/50/15/764705015.db2.gz IESYXGHBMJEWGO-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001047565856 764707990 /nfs/dbraw/zinc/70/79/90/764707990.db2.gz PAVMWGLQKRCUJI-GJZGRUSLSA-N 1 1 335.404 0.609 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(=O)[nH]c3)[C@H]2C)C1=O ZINC001089019500 764780063 /nfs/dbraw/zinc/78/00/63/764780063.db2.gz PCHUOZSXSWWZIM-VHDGCEQUSA-N 1 1 344.415 0.767 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001047593316 764811956 /nfs/dbraw/zinc/81/19/56/764811956.db2.gz FPPRUDYTMHWYAA-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)ccc1F ZINC001015504219 764819519 /nfs/dbraw/zinc/81/95/19/764819519.db2.gz NVYJDRMJIQGWHQ-KBPBESRZSA-N 1 1 330.363 0.524 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)ccc1F ZINC001015504219 764819526 /nfs/dbraw/zinc/81/95/26/764819526.db2.gz NVYJDRMJIQGWHQ-KBPBESRZSA-N 1 1 330.363 0.524 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC001052595212 764821862 /nfs/dbraw/zinc/82/18/62/764821862.db2.gz RFBYEABXFYUXHJ-UONOGXRCSA-N 1 1 329.391 0.556 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001047597212 764825539 /nfs/dbraw/zinc/82/55/39/764825539.db2.gz JGIHWLMUWMQJMD-HOTGVXAUSA-N 1 1 344.415 0.578 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001047597212 764825547 /nfs/dbraw/zinc/82/55/47/764825547.db2.gz JGIHWLMUWMQJMD-HOTGVXAUSA-N 1 1 344.415 0.578 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001047598359 764833877 /nfs/dbraw/zinc/83/38/77/764833877.db2.gz IYGFQTOQSKJGEJ-XYJFISCASA-N 1 1 328.412 0.825 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001047598359 764833882 /nfs/dbraw/zinc/83/38/82/764833882.db2.gz IYGFQTOQSKJGEJ-XYJFISCASA-N 1 1 328.412 0.825 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001047599238 764836826 /nfs/dbraw/zinc/83/68/26/764836826.db2.gz NBDFNKSZVUDJIU-IRXDYDNUSA-N 1 1 332.448 0.589 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)nc1 ZINC001047602064 764847007 /nfs/dbraw/zinc/84/70/07/764847007.db2.gz XUQANZWHPHXGNZ-NJAFHUGGSA-N 1 1 343.427 0.749 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnn(C)c3c2)C1 ZINC001047610558 764873543 /nfs/dbraw/zinc/87/35/43/764873543.db2.gz VNLMOXWAZGDLRT-HOTGVXAUSA-N 1 1 329.404 0.662 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3nccc(C)n3n2)C1 ZINC001047619002 764899323 /nfs/dbraw/zinc/89/93/23/764899323.db2.gz YWVURPPRVFIGMH-STQMWFEESA-N 1 1 330.392 0.126 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC001047619342 764900676 /nfs/dbraw/zinc/90/06/76/764900676.db2.gz KMAXQXMRWJGADK-QWRGUYRKSA-N 1 1 332.326 0.591 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047624383 764914204 /nfs/dbraw/zinc/91/42/04/764914204.db2.gz MYNLFECSZDEQEZ-BPUTZDHNSA-N 1 1 335.448 0.467 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047624383 764914213 /nfs/dbraw/zinc/91/42/13/764914213.db2.gz MYNLFECSZDEQEZ-BPUTZDHNSA-N 1 1 335.448 0.467 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1=O ZINC001052640236 764915372 /nfs/dbraw/zinc/91/53/72/764915372.db2.gz FDLGFBALCFNZNM-UUAJXVIYSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001052639990 764915564 /nfs/dbraw/zinc/91/55/64/764915564.db2.gz DVLJDDJFAIBNGR-HOCLYGCPSA-N 1 1 346.431 0.442 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047624738 764915865 /nfs/dbraw/zinc/91/58/65/764915865.db2.gz XRLSCXPNFFNYLP-PVAVHDDUSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1=O ZINC001052640134 764915973 /nfs/dbraw/zinc/91/59/73/764915973.db2.gz FDLGFBALCFNZNM-FIDHJVLJSA-N 1 1 347.459 0.636 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001015601559 765038589 /nfs/dbraw/zinc/03/85/89/765038589.db2.gz OARFXCSNCBVNQU-JKSUJKDBSA-N 1 1 326.400 0.870 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001052761634 765076908 /nfs/dbraw/zinc/07/69/08/765076908.db2.gz QWQJTZRUESAHRJ-AWEZNQCLSA-N 1 1 344.419 0.438 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)CC2)nn1 ZINC001052777151 765102286 /nfs/dbraw/zinc/10/22/86/765102286.db2.gz BCEHHPYKGRJYGU-ZFWWWQNUSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cccnc3C)C2)C1=O ZINC001015631386 765104567 /nfs/dbraw/zinc/10/45/67/765104567.db2.gz KCVWIDIQHJECDG-ZBFHGGJFSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cccnc3C)C2)C1=O ZINC001015631386 765104569 /nfs/dbraw/zinc/10/45/69/765104569.db2.gz KCVWIDIQHJECDG-ZBFHGGJFSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000991999799 765109846 /nfs/dbraw/zinc/10/98/46/765109846.db2.gz WQILRAUYPDEJCL-HNNXBMFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001052784710 765116961 /nfs/dbraw/zinc/11/69/61/765116961.db2.gz VYYHMHIODXWZCO-HNNXBMFYSA-N 1 1 348.451 0.726 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786396 765120506 /nfs/dbraw/zinc/12/05/06/765120506.db2.gz VEURTNXPOASRLG-CHWSQXEVSA-N 1 1 349.884 0.744 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CCNC1=O ZINC001015696113 765179122 /nfs/dbraw/zinc/17/91/22/765179122.db2.gz VEXYNUQPWCYGOR-YJBOKZPZSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1 ZINC001015697367 765182263 /nfs/dbraw/zinc/18/22/63/765182263.db2.gz SKHXWWXRUDAEJD-HRCADAONSA-N 1 1 342.399 0.282 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001015697736 765182753 /nfs/dbraw/zinc/18/27/53/765182753.db2.gz ZKGZSFBYXIZBTN-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001077487720 765224370 /nfs/dbraw/zinc/22/43/70/765224370.db2.gz HAZUXWHYBUJNDS-ZIAGYGMSSA-N 1 1 334.420 0.138 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC000992037660 765235475 /nfs/dbraw/zinc/23/54/75/765235475.db2.gz ICUXATKEJGHGFA-ULQDDVLXSA-N 1 1 345.443 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC000992037660 765235480 /nfs/dbraw/zinc/23/54/80/765235480.db2.gz ICUXATKEJGHGFA-ULQDDVLXSA-N 1 1 345.443 0.392 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001052877537 765283458 /nfs/dbraw/zinc/28/34/58/765283458.db2.gz PJZOSSBUXCEPBU-ZIAGYGMSSA-N 1 1 344.415 0.552 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)cn1 ZINC001052879515 765287386 /nfs/dbraw/zinc/28/73/86/765287386.db2.gz ZGBFCKLUWGDTBN-DLBZAZTESA-N 1 1 340.427 0.926 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001015776968 765298304 /nfs/dbraw/zinc/29/83/04/765298304.db2.gz HXAZTYMDKCDFFE-HUUCEWRRSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001015776968 765298309 /nfs/dbraw/zinc/29/83/09/765298309.db2.gz HXAZTYMDKCDFFE-HUUCEWRRSA-N 1 1 331.420 0.169 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC001052894522 765303807 /nfs/dbraw/zinc/30/38/07/765303807.db2.gz KNTRBHMPSJYELA-QGZVFWFLSA-N 1 1 327.428 0.927 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C2)nn1 ZINC001015810759 765370243 /nfs/dbraw/zinc/37/02/43/765370243.db2.gz QMJOGQMQEYAPAR-UKRRQHHQSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C2)nn1 ZINC001015810759 765370251 /nfs/dbraw/zinc/37/02/51/765370251.db2.gz QMJOGQMQEYAPAR-UKRRQHHQSA-N 1 1 346.435 0.278 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001015828442 765390737 /nfs/dbraw/zinc/39/07/37/765390737.db2.gz HLDSGAFHOTYYHW-ZOBUZTSGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001015828442 765390746 /nfs/dbraw/zinc/39/07/46/765390746.db2.gz HLDSGAFHOTYYHW-ZOBUZTSGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C)nc(C)n3)C2)C1=O ZINC001015838100 765414501 /nfs/dbraw/zinc/41/45/01/765414501.db2.gz HETAUTQMASXFIS-GDBMZVCRSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C)nc(C)n3)C2)C1=O ZINC001015838100 765414506 /nfs/dbraw/zinc/41/45/06/765414506.db2.gz HETAUTQMASXFIS-GDBMZVCRSA-N 1 1 343.431 0.684 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001127232607 765443275 /nfs/dbraw/zinc/44/32/75/765443275.db2.gz DCKXVLUQKJWAKC-MRXNPFEDSA-N 1 1 331.420 0.934 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001052982500 765456219 /nfs/dbraw/zinc/45/62/19/765456219.db2.gz VFNMOZNTPDRBKN-IAGOWNOFSA-N 1 1 349.475 0.723 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001015863354 765458060 /nfs/dbraw/zinc/45/80/60/765458060.db2.gz VHJDYMVHRDLKPN-UONOGXRCSA-N 1 1 331.420 0.618 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001015863354 765458062 /nfs/dbraw/zinc/45/80/62/765458062.db2.gz VHJDYMVHRDLKPN-UONOGXRCSA-N 1 1 331.420 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001053011444 765484151 /nfs/dbraw/zinc/48/41/51/765484151.db2.gz HBYBWUNNIQQCPS-HUUCEWRRSA-N 1 1 331.420 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001053036005 765511875 /nfs/dbraw/zinc/51/18/75/765511875.db2.gz GURKNGCNOWYKCW-HUUCEWRRSA-N 1 1 328.416 0.967 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001053046881 765524555 /nfs/dbraw/zinc/52/45/55/765524555.db2.gz NYUGICDPDNKOFD-HUUCEWRRSA-N 1 1 348.447 0.675 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cccc(OC)n3)C2)C1=O ZINC001015932910 765576353 /nfs/dbraw/zinc/57/63/53/765576353.db2.gz URKITTWNUWBABG-DZGCQCFKSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccc(OC)n3)C2)C1=O ZINC001015932910 765576356 /nfs/dbraw/zinc/57/63/56/765576356.db2.gz URKITTWNUWBABG-DZGCQCFKSA-N 1 1 344.415 0.681 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001053110079 765591506 /nfs/dbraw/zinc/59/15/06/765591506.db2.gz YFAMSGCWIPSLMR-CVEARBPZSA-N 1 1 337.464 0.579 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)cc1 ZINC001015966945 765634734 /nfs/dbraw/zinc/63/47/34/765634734.db2.gz BXOLYGXZVCIHRZ-AWEZNQCLSA-N 1 1 340.387 0.640 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3nnc[nH]3)C2)cc1 ZINC001015966945 765634737 /nfs/dbraw/zinc/63/47/37/765634737.db2.gz BXOLYGXZVCIHRZ-AWEZNQCLSA-N 1 1 340.387 0.640 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3nnc[nH]3)C2)cc1 ZINC001015966945 765634741 /nfs/dbraw/zinc/63/47/41/765634741.db2.gz BXOLYGXZVCIHRZ-AWEZNQCLSA-N 1 1 340.387 0.640 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)ccc1F ZINC000992165197 765729727 /nfs/dbraw/zinc/72/97/27/765729727.db2.gz ZQGJISXRBOVBRP-WMLDXEAASA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)ccc1F ZINC000992165197 765729730 /nfs/dbraw/zinc/72/97/30/765729730.db2.gz ZQGJISXRBOVBRP-WMLDXEAASA-N 1 1 330.363 0.796 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C#N ZINC001106104921 765757386 /nfs/dbraw/zinc/75/73/86/765757386.db2.gz QYTAECJTUUZUPA-WFASDCNBSA-N 1 1 331.420 0.493 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCOC3(C[NH+](C[C@@H]4CCOC4)C3)C2)[nH]1 ZINC001053216367 765775772 /nfs/dbraw/zinc/77/57/72/765775772.db2.gz FCNIYQXOQNLHIZ-ZDUSSCGKSA-N 1 1 330.388 0.450 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001016109786 765794005 /nfs/dbraw/zinc/79/40/05/765794005.db2.gz DRRLBGXPRMZZCN-HOTGVXAUSA-N 1 1 339.395 0.206 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001016109786 765794011 /nfs/dbraw/zinc/79/40/11/765794011.db2.gz DRRLBGXPRMZZCN-HOTGVXAUSA-N 1 1 339.395 0.206 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001077501903 765794544 /nfs/dbraw/zinc/79/45/44/765794544.db2.gz UIMLPLNYWYNBCM-HUUCEWRRSA-N 1 1 327.388 0.823 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(C)c3OC)C2)C1=O ZINC001016120550 765809810 /nfs/dbraw/zinc/80/98/10/765809810.db2.gz RGXXFBZBEYJPRZ-OCCSQVGLSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(C)c3OC)C2)C1=O ZINC001016120550 765809820 /nfs/dbraw/zinc/80/98/20/765809820.db2.gz RGXXFBZBEYJPRZ-OCCSQVGLSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1=O ZINC001030825612 765859533 /nfs/dbraw/zinc/85/95/33/765859533.db2.gz NWHROFAIFNIKGH-WBVHZDCISA-N 1 1 348.491 0.696 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)ccc1C#N ZINC001106109130 765872525 /nfs/dbraw/zinc/87/25/25/765872525.db2.gz UKYYYHYJWXKQST-WFASDCNBSA-N 1 1 331.420 0.635 20 30 ECEDMO Cn1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)ccc1=O ZINC001016182855 765878102 /nfs/dbraw/zinc/87/81/02/765878102.db2.gz WKVXEPXDWCACGZ-HNNXBMFYSA-N 1 1 337.383 0.656 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cc(C)n[nH]2)C1 ZINC000992209317 765911247 /nfs/dbraw/zinc/91/12/47/765911247.db2.gz VGSDCYZHGSEDMX-XUJLQICISA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cc(C)n[nH]2)C1 ZINC000992209317 765911250 /nfs/dbraw/zinc/91/12/50/765911250.db2.gz VGSDCYZHGSEDMX-XUJLQICISA-N 1 1 343.431 0.440 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2noc(CC)n2)[C@H](C)C1 ZINC001106110649 765912458 /nfs/dbraw/zinc/91/24/58/765912458.db2.gz BQZCJGFPUCUZBZ-HZSPNIEDSA-N 1 1 334.420 0.854 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CCNc1ccnc(C#N)n1 ZINC001053319937 765965512 /nfs/dbraw/zinc/96/55/12/765965512.db2.gz CBKZWUMRTYNCCY-RBSFLKMASA-N 1 1 342.447 0.761 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccccc3C#N)C2)C1 ZINC001030840198 765968713 /nfs/dbraw/zinc/96/87/13/765968713.db2.gz YXMWJLNFERHPGQ-SFHVURJKSA-N 1 1 342.443 0.968 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccccc3C#N)C2)C1 ZINC001030840198 765968718 /nfs/dbraw/zinc/96/87/18/765968718.db2.gz YXMWJLNFERHPGQ-SFHVURJKSA-N 1 1 342.443 0.968 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001016306153 766083338 /nfs/dbraw/zinc/08/33/38/766083338.db2.gz NNJGTXXRUICWIH-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001016306153 766083346 /nfs/dbraw/zinc/08/33/46/766083346.db2.gz NNJGTXXRUICWIH-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CCO2 ZINC001053428934 766117219 /nfs/dbraw/zinc/11/72/19/766117219.db2.gz AGVYEEZJBPYIDQ-OAHLLOKOSA-N 1 1 330.432 0.853 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)C(=O)N(C)C3=O)CCC[C@H]12 ZINC000992273417 766124411 /nfs/dbraw/zinc/12/44/11/766124411.db2.gz QJYCXRVDQSSBRK-SJCJKPOMSA-N 1 1 348.403 0.096 20 30 ECEDMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)n(C)c1=O ZINC001016354657 766174760 /nfs/dbraw/zinc/17/47/60/766174760.db2.gz QFCDIJLZSHMQHA-INIZCTEOSA-N 1 1 338.411 0.580 20 30 ECEDMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)n(C)c1=O ZINC001016354657 766174762 /nfs/dbraw/zinc/17/47/62/766174762.db2.gz QFCDIJLZSHMQHA-INIZCTEOSA-N 1 1 338.411 0.580 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCN(C)S3(=O)=O)CCC[C@@H]12 ZINC000992305617 766220728 /nfs/dbraw/zinc/22/07/28/766220728.db2.gz DESXNSBXLBLMNH-SQWLQELKSA-N 1 1 339.461 0.157 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(CC)n1 ZINC001106125050 766248472 /nfs/dbraw/zinc/24/84/72/766248472.db2.gz KBLCZAZIFLRADG-MCIONIFRSA-N 1 1 334.420 0.828 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC001016420830 766267583 /nfs/dbraw/zinc/26/75/83/766267583.db2.gz SFTCAIVUHMWKEN-MLVVQWTHSA-N 1 1 343.431 0.946 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001016421435 766268450 /nfs/dbraw/zinc/26/84/50/766268450.db2.gz FSQODUFOTBXCPF-XEBKBJJBSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)N1CCOCC1 ZINC001016435075 766295422 /nfs/dbraw/zinc/29/54/22/766295422.db2.gz CPRRFGLMPATVBO-YJBOKZPZSA-N 1 1 342.443 0.969 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](CC)CCO1)CCO2 ZINC001053537657 766301406 /nfs/dbraw/zinc/30/14/06/766301406.db2.gz JODIUDCYTDLFRW-CQSZACIVSA-N 1 1 343.855 0.373 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CCO2 ZINC001053537657 766301412 /nfs/dbraw/zinc/30/14/12/766301412.db2.gz JODIUDCYTDLFRW-CQSZACIVSA-N 1 1 343.855 0.373 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)CCO2 ZINC001053543040 766309761 /nfs/dbraw/zinc/30/97/61/766309761.db2.gz UORPIQZCQIDCJT-QGZVFWFLSA-N 1 1 327.428 0.836 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@@H]12 ZINC000992347509 766339089 /nfs/dbraw/zinc/33/90/89/766339089.db2.gz VHERREMNJSXUDQ-JJZFQXHVSA-N 1 1 346.431 0.664 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992351154 766351783 /nfs/dbraw/zinc/35/17/83/766351783.db2.gz MBPHTFFUZDFKNO-KSSFIOAISA-N 1 1 344.415 0.875 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001045785671 766369564 /nfs/dbraw/zinc/36/95/64/766369564.db2.gz SXUJEFQXWJJQLH-UHFFFAOYSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)O2 ZINC001053600720 766408603 /nfs/dbraw/zinc/40/86/03/766408603.db2.gz PVEOBMAQFLFAEN-CYBMUJFWSA-N 1 1 346.435 0.415 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncc3[nH]cnc31)O2 ZINC001053601687 766410997 /nfs/dbraw/zinc/41/09/97/766410997.db2.gz PNIDPGKWOCDFIZ-ZDUSSCGKSA-N 1 1 339.399 0.944 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnc3[nH]cnc31)O2 ZINC001053604526 766415572 /nfs/dbraw/zinc/41/55/72/766415572.db2.gz IMSTWNPPHSLMBP-ZDUSSCGKSA-N 1 1 339.399 0.944 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)NC)c1 ZINC001045845170 766426350 /nfs/dbraw/zinc/42/63/50/766426350.db2.gz XTZPHIWFHWVKGJ-XYPHTWIQSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)O2 ZINC001053609279 766426765 /nfs/dbraw/zinc/42/67/65/766426765.db2.gz WAHBBCNHIFQTOI-HUUCEWRRSA-N 1 1 328.416 0.743 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3nc[nH]c3n1)O2 ZINC001053614912 766437694 /nfs/dbraw/zinc/43/76/94/766437694.db2.gz VEFNHGVVWLETJS-ZDUSSCGKSA-N 1 1 339.399 0.944 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nc1 ZINC001045880053 766462667 /nfs/dbraw/zinc/46/26/67/766462667.db2.gz GRZUSAKYXXGRNX-CVEARBPZSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nc1 ZINC001045880053 766462672 /nfs/dbraw/zinc/46/26/72/766462672.db2.gz GRZUSAKYXXGRNX-CVEARBPZSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)NC)cn1 ZINC001045880138 766462807 /nfs/dbraw/zinc/46/28/07/766462807.db2.gz JXDIEBBPJRVJKX-XKQJLSEDSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)O2 ZINC001053625921 766467461 /nfs/dbraw/zinc/46/74/61/766467461.db2.gz JDKKSSHRFHGELF-HUUCEWRRSA-N 1 1 348.447 0.150 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@H]12 ZINC000992401853 766487857 /nfs/dbraw/zinc/48/78/57/766487857.db2.gz YKANKCCZCNJAJI-GUYCJALGSA-N 1 1 332.404 0.017 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1coc(C(N)=O)c1)O2 ZINC001053638646 766493851 /nfs/dbraw/zinc/49/38/51/766493851.db2.gz RZNFLRKYXGBARR-CYBMUJFWSA-N 1 1 331.372 0.365 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1 ZINC001053647145 766507375 /nfs/dbraw/zinc/50/73/75/766507375.db2.gz NOAHLIGVFJWBRB-HOTGVXAUSA-N 1 1 334.464 0.982 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001045939751 766510528 /nfs/dbraw/zinc/51/05/28/766510528.db2.gz HXDSORSFBRSHQK-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO Cn1nncc1C[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001016575825 766524561 /nfs/dbraw/zinc/52/45/61/766524561.db2.gz JRFIUDWFKJKUSW-OAHLLOKOSA-N 1 1 339.403 0.799 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nnn(CC)c1CC)O2 ZINC001053658120 766527836 /nfs/dbraw/zinc/52/78/36/766527836.db2.gz QUOCTFCJRMZCFA-CQSZACIVSA-N 1 1 345.447 0.847 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1OC ZINC001212255010 766543073 /nfs/dbraw/zinc/54/30/73/766543073.db2.gz ALIKOYALDPTLHY-USXIJHARSA-N 1 1 331.416 0.744 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1OC ZINC001212255010 766543078 /nfs/dbraw/zinc/54/30/78/766543078.db2.gz ALIKOYALDPTLHY-USXIJHARSA-N 1 1 331.416 0.744 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncc(OC)n1)O2 ZINC001053673340 766554775 /nfs/dbraw/zinc/55/47/75/766554775.db2.gz AZFORFMUJYJPGY-ZDUSSCGKSA-N 1 1 330.388 0.472 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(CC=C)nn1)O2 ZINC001053676702 766560655 /nfs/dbraw/zinc/56/06/55/766560655.db2.gz ISCYILPPGLGAPP-AWEZNQCLSA-N 1 1 329.404 0.451 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)n[nH]3)CC2)C1 ZINC001046006073 766615372 /nfs/dbraw/zinc/61/53/72/766615372.db2.gz FQVZUYIFYGOQOB-INIZCTEOSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)[nH]n3)CC2)C1 ZINC001046006073 766615377 /nfs/dbraw/zinc/61/53/77/766615377.db2.gz FQVZUYIFYGOQOB-INIZCTEOSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)[nH]n3)CC2)C1 ZINC001046006073 766615379 /nfs/dbraw/zinc/61/53/79/766615379.db2.gz FQVZUYIFYGOQOB-INIZCTEOSA-N 1 1 329.448 0.828 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 ZINC001046007631 766621637 /nfs/dbraw/zinc/62/16/37/766621637.db2.gz FHELKHJKDNGNAY-SJORKVTESA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12 ZINC000992461605 766629223 /nfs/dbraw/zinc/62/92/23/766629223.db2.gz YECSZBSQTFPITH-QAPCUYQASA-N 1 1 347.463 0.970 20 30 ECEDMO Cc1oncc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011218 766636179 /nfs/dbraw/zinc/63/61/79/766636179.db2.gz APZSXOGFSLEOOW-XJKSGUPXSA-N 1 1 331.420 0.861 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnn(C)c3)CC2)C1 ZINC001046011630 766636812 /nfs/dbraw/zinc/63/68/12/766636812.db2.gz GELPRMSLTFIIEH-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cc3nc4ncccn4n3)CCC[C@@H]12 ZINC000992473838 766658745 /nfs/dbraw/zinc/65/87/45/766658745.db2.gz GFGPAPDFWOVVPO-KDOFPFPSSA-N 1 1 338.415 0.803 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC001046020056 766661660 /nfs/dbraw/zinc/66/16/60/766661660.db2.gz MHWLXNHVCRLWAT-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC001046020318 766662560 /nfs/dbraw/zinc/66/25/60/766662560.db2.gz QJAPQKBOZRISFD-IRXDYDNUSA-N 1 1 348.491 0.697 20 30 ECEDMO CO[C@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046021491 766666345 /nfs/dbraw/zinc/66/63/45/766666345.db2.gz IKSGECDAQUMCCP-ZBFHGGJFSA-N 1 1 345.447 0.753 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 ZINC001046022558 766669747 /nfs/dbraw/zinc/66/97/47/766669747.db2.gz VAJVRGCHIDWPEX-CVEARBPZSA-N 1 1 330.436 0.081 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 ZINC001046022701 766670036 /nfs/dbraw/zinc/67/00/36/766670036.db2.gz WJHJNWMOLZQWPO-CVEARBPZSA-N 1 1 332.452 0.634 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 ZINC001046027827 766686885 /nfs/dbraw/zinc/68/68/85/766686885.db2.gz SDHVTUIJRHBTDW-DLBZAZTESA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@H]12 ZINC000992488607 766694286 /nfs/dbraw/zinc/69/42/86/766694286.db2.gz APHSEXHHQLFPIP-OFQRWUPVSA-N 1 1 341.477 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccoc2CC)C1 ZINC000994750317 766695065 /nfs/dbraw/zinc/69/50/65/766695065.db2.gz HTEJJRWCHJOBPT-HNNXBMFYSA-N 1 1 329.400 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccoc2CC)C1 ZINC000994750317 766695073 /nfs/dbraw/zinc/69/50/73/766695073.db2.gz HTEJJRWCHJOBPT-HNNXBMFYSA-N 1 1 329.400 0.880 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)c3ccnn3C)CC2)C1 ZINC001046031762 766703475 /nfs/dbraw/zinc/70/34/75/766703475.db2.gz VJBLEBIHHDDWTO-HOTGVXAUSA-N 1 1 331.464 0.928 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)CC[N@H+]1C ZINC001046032238 766704921 /nfs/dbraw/zinc/70/49/21/766704921.db2.gz HAOIMJYQCIWUQD-IXDOHACOSA-N 1 1 333.480 0.459 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccn(CC)n3)CC2)C1 ZINC001046032969 766706750 /nfs/dbraw/zinc/70/67/50/766706750.db2.gz PHKNMIIXKCOZIC-GOSISDBHSA-N 1 1 343.475 0.687 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cn(CC)nc2C)C1 ZINC000994755036 766709873 /nfs/dbraw/zinc/70/98/73/766709873.db2.gz PQDIIWJMHVRGPQ-INIZCTEOSA-N 1 1 343.431 0.250 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cn(CC)nc2C)C1 ZINC000994755036 766709877 /nfs/dbraw/zinc/70/98/77/766709877.db2.gz PQDIIWJMHVRGPQ-INIZCTEOSA-N 1 1 343.431 0.250 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 ZINC001046033550 766710154 /nfs/dbraw/zinc/71/01/54/766710154.db2.gz HLUAWUXLYHFFRP-KRWDZBQOSA-N 1 1 341.459 0.685 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC001046033831 766711238 /nfs/dbraw/zinc/71/12/38/766711238.db2.gz MFUNQTAFGKPXJM-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(Cl)no2)C1 ZINC000994753529 766711205 /nfs/dbraw/zinc/71/12/05/766711205.db2.gz HVYXDVSKCFLCAS-NSHDSACASA-N 1 1 336.779 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(Cl)no2)C1 ZINC000994753529 766711211 /nfs/dbraw/zinc/71/12/11/766711211.db2.gz HVYXDVSKCFLCAS-NSHDSACASA-N 1 1 336.779 0.366 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)C1 ZINC001046033730 766711610 /nfs/dbraw/zinc/71/16/10/766711610.db2.gz JPHPXJPQDZTIRU-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4c3CCC4)CC2)C1 ZINC001046035491 766721319 /nfs/dbraw/zinc/72/13/19/766721319.db2.gz NCRBQRYPDVMRFJ-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN([C@@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001046035966 766723857 /nfs/dbraw/zinc/72/38/57/766723857.db2.gz XOZYQGLYJFMPNF-IAGOWNOFSA-N 1 1 346.475 0.887 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4n[nH]nc4c3)CC2)C1 ZINC001046036107 766724340 /nfs/dbraw/zinc/72/43/40/766724340.db2.gz AAVCJVQXIPAUKV-CQSZACIVSA-N 1 1 341.419 0.371 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccc(C)cc2)C1 ZINC000994756599 766729053 /nfs/dbraw/zinc/72/90/53/766729053.db2.gz YCAVEVVOIJOEPE-SFHVURJKSA-N 1 1 339.439 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccc(C)cc2)C1 ZINC000994756599 766729059 /nfs/dbraw/zinc/72/90/59/766729059.db2.gz YCAVEVVOIJOEPE-SFHVURJKSA-N 1 1 339.439 0.962 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046037099 766730785 /nfs/dbraw/zinc/73/07/85/766730785.db2.gz LZGNRRSZVKVCQI-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC001046037124 766730882 /nfs/dbraw/zinc/73/08/82/766730882.db2.gz SKGJZGPUIDJQSM-HNNXBMFYSA-N 1 1 343.431 0.131 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccc(F)cn3)CC2)C1 ZINC001046038816 766739307 /nfs/dbraw/zinc/73/93/07/766739307.db2.gz JTTHMSMSATUOBC-KRWDZBQOSA-N 1 1 330.407 0.615 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnccc3OC)CC2)C1 ZINC001046039424 766742738 /nfs/dbraw/zinc/74/27/38/766742738.db2.gz XYDOEAYAYSUJBN-KRWDZBQOSA-N 1 1 342.443 0.484 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc(OC)c3)CC2)C1 ZINC001046040651 766748191 /nfs/dbraw/zinc/74/81/91/766748191.db2.gz GJRCLIQOTBMTOW-QGZVFWFLSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4nccn4C3)CC2)C1 ZINC001046040757 766749524 /nfs/dbraw/zinc/74/95/24/766749524.db2.gz KPMXJSHOSUGCLL-DLBZAZTESA-N 1 1 343.475 0.850 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC001046042253 766755034 /nfs/dbraw/zinc/75/50/34/766755034.db2.gz SMAVLMRWUXJIGF-QZTJIDSGSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC001046042566 766756096 /nfs/dbraw/zinc/75/60/96/766756096.db2.gz JDKNAXZAMMDZLH-KRWDZBQOSA-N 1 1 342.443 0.241 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncnc4[nH]ccc43)CC2)C1 ZINC001046042555 766756472 /nfs/dbraw/zinc/75/64/72/766756472.db2.gz YAHJCLXPWQPISP-AWEZNQCLSA-N 1 1 338.415 0.375 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC001046042966 766759134 /nfs/dbraw/zinc/75/91/34/766759134.db2.gz QFLTVKJHRSXYDN-MRXNPFEDSA-N 1 1 330.432 0.403 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2C)C1 ZINC001041999311 782577695 /nfs/dbraw/zinc/57/76/95/782577695.db2.gz XXIIDOQPPWMVIW-BMFZPTHFSA-N 1 1 343.431 0.615 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2C)C1 ZINC001041999311 782577701 /nfs/dbraw/zinc/57/77/01/782577701.db2.gz XXIIDOQPPWMVIW-BMFZPTHFSA-N 1 1 343.431 0.615 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3ccon3)CC2)C1 ZINC001046043327 766760935 /nfs/dbraw/zinc/76/09/35/766760935.db2.gz CBGFIJBMMWUFTK-KRWDZBQOSA-N 1 1 330.432 0.849 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn(CCOC)n3)CC2)C1 ZINC001046043986 766765173 /nfs/dbraw/zinc/76/51/73/766765173.db2.gz GQSQSMJZDSZALQ-MRXNPFEDSA-N 1 1 347.463 0.548 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3nc(C)cc3C)CC2)C1 ZINC001046044177 766766619 /nfs/dbraw/zinc/76/66/19/766766619.db2.gz JNWREWOVBDEHHD-GOSISDBHSA-N 1 1 343.475 0.742 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001046044821 766769169 /nfs/dbraw/zinc/76/91/69/766769169.db2.gz RUFPJSCKNKRGEO-AWEZNQCLSA-N 1 1 344.415 0.234 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC001046046739 766774557 /nfs/dbraw/zinc/77/45/57/766774557.db2.gz HWHIWOLEAWYXSV-HNNXBMFYSA-N 1 1 346.431 0.787 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3occ4c3CCOC4)CC2)C1 ZINC001046046456 766774844 /nfs/dbraw/zinc/77/48/44/766774844.db2.gz DJVHGOOPEWJFLR-MRXNPFEDSA-N 1 1 343.427 0.818 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001046048960 766781296 /nfs/dbraw/zinc/78/12/96/766781296.db2.gz GYLFJZDGVLSJPF-GJZGRUSLSA-N 1 1 336.480 0.681 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H](C)n3ccc(C)n3)CC2)C1 ZINC001046051199 766790684 /nfs/dbraw/zinc/79/06/84/766790684.db2.gz YEJYZQQZXNHFLT-ZWKOTPCHSA-N 1 1 343.475 0.994 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046056064 766807709 /nfs/dbraw/zinc/80/77/09/766807709.db2.gz NTTHBHXFAJDNMY-VQIMIIECSA-N 1 1 346.475 0.145 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046059429 766822165 /nfs/dbraw/zinc/82/21/65/766822165.db2.gz GZFRXXCVYRAONB-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H](C)n3ccnc3)CC2)C1 ZINC001046065539 766849061 /nfs/dbraw/zinc/84/90/61/766849061.db2.gz APGRHVDYVHMWQB-IAGOWNOFSA-N 1 1 329.448 0.686 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ccc(C)cc3=O)CC2)C1 ZINC001046069414 766867693 /nfs/dbraw/zinc/86/76/93/766867693.db2.gz FUMKWTNBNHQQKJ-KRWDZBQOSA-N 1 1 342.443 0.008 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)nc(C)n3)CC2)C1 ZINC001046070280 766871596 /nfs/dbraw/zinc/87/15/96/766871596.db2.gz QYAVMEAFRMCNID-KRWDZBQOSA-N 1 1 341.459 0.949 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001016765270 766875200 /nfs/dbraw/zinc/87/52/00/766875200.db2.gz GEQXPCNQZATKBX-YGONEPDPSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(C)nc3C)CC2)C1 ZINC001046071348 766877321 /nfs/dbraw/zinc/87/73/21/766877321.db2.gz IATLLAPZWHIGGC-MRXNPFEDSA-N 1 1 327.432 0.559 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn(CC)n3)CC2)C1 ZINC001046071198 766877872 /nfs/dbraw/zinc/87/78/72/766877872.db2.gz TXZWJWDIGCDWQH-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)C1 ZINC001046076294 766902981 /nfs/dbraw/zinc/90/29/81/766902981.db2.gz DEWOMWPRBQYURS-MRXNPFEDSA-N 1 1 342.443 0.539 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnn(CC)c3)CC2)C1 ZINC001046076525 766904179 /nfs/dbraw/zinc/90/41/79/766904179.db2.gz GVWMNPJYKVCORF-GOSISDBHSA-N 1 1 343.475 0.687 20 30 ECEDMO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001089654682 766908175 /nfs/dbraw/zinc/90/81/75/766908175.db2.gz QREJFOIUGHYWNP-HIFRSBDPSA-N 1 1 346.435 0.400 20 30 ECEDMO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001089654682 766908181 /nfs/dbraw/zinc/90/81/81/766908181.db2.gz QREJFOIUGHYWNP-HIFRSBDPSA-N 1 1 346.435 0.400 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C#C)cn3)CC2)C1 ZINC001046078434 766910535 /nfs/dbraw/zinc/91/05/35/766910535.db2.gz XLLVTOWJPZYZMP-GOSISDBHSA-N 1 1 336.439 0.918 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC001046078128 766910906 /nfs/dbraw/zinc/91/09/06/766910906.db2.gz IWCBLRIDCXFKHA-MRXNPFEDSA-N 1 1 344.459 0.794 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)C1 ZINC001046079262 766913194 /nfs/dbraw/zinc/91/31/94/766913194.db2.gz SATRXXGSLDZACR-MRXNPFEDSA-N 1 1 342.443 0.539 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046080270 766916497 /nfs/dbraw/zinc/91/64/97/766916497.db2.gz DPZVDXQQALJAKV-ZWKOTPCHSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCn3cc(C)cn3)CC2)C1 ZINC001046085971 766928232 /nfs/dbraw/zinc/92/82/32/766928232.db2.gz KYRXZTUJSMWLNC-KRWDZBQOSA-N 1 1 331.464 0.986 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCC(=O)NC1)CO2 ZINC001053827155 766954668 /nfs/dbraw/zinc/95/46/68/766954668.db2.gz SNBZGMZXSRINSA-LSDHHAIUSA-N 1 1 335.448 0.828 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)CO2 ZINC001053827187 766954854 /nfs/dbraw/zinc/95/48/54/766954854.db2.gz SXVDJQANRCLIPL-LSDHHAIUSA-N 1 1 328.416 0.743 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CCC1 ZINC001046126858 766958940 /nfs/dbraw/zinc/95/89/40/766958940.db2.gz NQPOWPJJPYRMOT-HUUCEWRRSA-N 1 1 349.475 0.763 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(CC(=C)Cl)C2)C1 ZINC001053832671 766970862 /nfs/dbraw/zinc/97/08/62/766970862.db2.gz NEDBFIYBPXHADW-GJZGRUSLSA-N 1 1 337.851 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(CC(=C)Cl)C2)C1 ZINC001053832671 766970863 /nfs/dbraw/zinc/97/08/63/766970863.db2.gz NEDBFIYBPXHADW-GJZGRUSLSA-N 1 1 337.851 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cnc(C)cn2)C1 ZINC001031742812 767006790 /nfs/dbraw/zinc/00/67/90/767006790.db2.gz SJJRPKRFPDHMGJ-KRWDZBQOSA-N 1 1 327.432 0.431 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cnc(C)cn2)C1 ZINC001031742812 767006799 /nfs/dbraw/zinc/00/67/99/767006799.db2.gz SJJRPKRFPDHMGJ-KRWDZBQOSA-N 1 1 327.432 0.431 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1COCCN1CC)CO2 ZINC001053854085 767028440 /nfs/dbraw/zinc/02/84/40/767028440.db2.gz RMXKADZFNGNKRK-JKSUJKDBSA-N 1 1 337.464 0.633 20 30 ECEDMO C#CC[NH+]1CCC2(CCN(C(=O)[C@@]3(C)CCCS3(=O)=O)C2)CC1 ZINC001040881530 767035593 /nfs/dbraw/zinc/03/55/93/767035593.db2.gz NYUXAWLGYIFFAH-MRXNPFEDSA-N 1 1 338.473 0.901 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001042016955 782604390 /nfs/dbraw/zinc/60/43/90/782604390.db2.gz XJTWUSAEMPHRJH-WBMJQRKESA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001042016955 782604395 /nfs/dbraw/zinc/60/43/95/782604395.db2.gz XJTWUSAEMPHRJH-WBMJQRKESA-N 1 1 339.403 0.751 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2ncc(C#N)cc2F)CC[N@H+]1C ZINC001106141323 767114802 /nfs/dbraw/zinc/11/48/02/767114802.db2.gz BGFMTIJXFRSCCN-VNHYZAJKSA-N 1 1 349.410 0.712 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046289574 767130265 /nfs/dbraw/zinc/13/02/65/767130265.db2.gz YGNMNMAUIITLDR-CRAIPNDOSA-N 1 1 327.384 0.727 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046289574 767130267 /nfs/dbraw/zinc/13/02/67/767130267.db2.gz YGNMNMAUIITLDR-CRAIPNDOSA-N 1 1 327.384 0.727 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001089730408 767134052 /nfs/dbraw/zinc/13/40/52/767134052.db2.gz ZWWKRLVQUHBJNF-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046321648 767147384 /nfs/dbraw/zinc/14/73/84/767147384.db2.gz ROWBUQVLAJLPDF-GUYCJALGSA-N 1 1 331.420 0.919 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCC1=O ZINC001089768917 767149747 /nfs/dbraw/zinc/14/97/47/767149747.db2.gz FVFGBZMMDXQOHE-HZMVEIRTSA-N 1 1 329.444 0.801 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCC1=O ZINC001089768920 767149807 /nfs/dbraw/zinc/14/98/07/767149807.db2.gz FVFGBZMMDXQOHE-YVSFHVDLSA-N 1 1 329.444 0.801 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001046329713 767152567 /nfs/dbraw/zinc/15/25/67/767152567.db2.gz UNNSEBWKPWQONX-IVMMDQJWSA-N 1 1 329.404 0.012 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001046329713 767152569 /nfs/dbraw/zinc/15/25/69/767152569.db2.gz UNNSEBWKPWQONX-IVMMDQJWSA-N 1 1 329.404 0.012 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001046387874 767188261 /nfs/dbraw/zinc/18/82/61/767188261.db2.gz PEGKMZDOSKMRCZ-MCIONIFRSA-N 1 1 328.420 0.915 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001212316474 767207273 /nfs/dbraw/zinc/20/72/73/767207273.db2.gz QQWXPKFCGWHFDJ-BPLDGKMQSA-N 1 1 333.388 0.237 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001212316474 767207274 /nfs/dbraw/zinc/20/72/74/767207274.db2.gz QQWXPKFCGWHFDJ-BPLDGKMQSA-N 1 1 333.388 0.237 20 30 ECEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC ZINC001212321210 767214388 /nfs/dbraw/zinc/21/43/88/767214388.db2.gz WKFDMKUHCUKRJJ-HZPDHXFCSA-N 1 1 333.436 0.862 20 30 ECEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC ZINC001212321210 767214389 /nfs/dbraw/zinc/21/43/89/767214389.db2.gz WKFDMKUHCUKRJJ-HZPDHXFCSA-N 1 1 333.436 0.862 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CN=NC2=O)C1 ZINC001089795387 767220093 /nfs/dbraw/zinc/22/00/93/767220093.db2.gz NGJCGZJUQDXFPU-AJNGGQMLSA-N 1 1 329.404 0.176 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CN=NC1=O ZINC001089795222 767220196 /nfs/dbraw/zinc/22/01/96/767220196.db2.gz LJJCOCUPWCRCLC-XQLPTFJDSA-N 1 1 329.404 0.176 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnn(C)c3CC)C2)C1=O ZINC001031809347 767257662 /nfs/dbraw/zinc/25/76/62/767257662.db2.gz HASYQDSXSQWZJA-MRXNPFEDSA-N 1 1 345.447 0.431 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001046506052 767268234 /nfs/dbraw/zinc/26/82/34/767268234.db2.gz OBQGFLWDGLDBIP-AOIWGVFYSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046535728 767286657 /nfs/dbraw/zinc/28/66/57/767286657.db2.gz LEXJMLNYIZPNMM-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)cn1 ZINC001089826167 767348537 /nfs/dbraw/zinc/34/85/37/767348537.db2.gz GNIPRFMGZBGNFB-MPTYRVRUSA-N 1 1 340.427 0.586 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccncc2CC)C1 ZINC000994987605 767350197 /nfs/dbraw/zinc/35/01/97/767350197.db2.gz VKQNVUQIOHGLFN-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccncc2CC)C1 ZINC000994987605 767350205 /nfs/dbraw/zinc/35/02/05/767350205.db2.gz VKQNVUQIOHGLFN-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)c(C(N)=O)cn1)CO2 ZINC001053929522 767389632 /nfs/dbraw/zinc/38/96/32/767389632.db2.gz BPJQZUFPMGILQA-CYBMUJFWSA-N 1 1 344.415 0.638 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106157228 767416854 /nfs/dbraw/zinc/41/68/54/767416854.db2.gz BKZUJQRUYZZBBE-CVEARBPZSA-N 1 1 331.420 0.717 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2nnnn2c1 ZINC001089836808 767432624 /nfs/dbraw/zinc/43/26/24/767432624.db2.gz UQNGGWMCUYMJEW-XZDPQHSOSA-N 1 1 336.399 0.540 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001046672535 767454775 /nfs/dbraw/zinc/45/47/75/767454775.db2.gz VXNMXUKYCRJHHK-CABCVRRESA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001046677507 767463849 /nfs/dbraw/zinc/46/38/49/767463849.db2.gz BMOAHHKAMRGQAY-ACJLOTCBSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001046677507 767463851 /nfs/dbraw/zinc/46/38/51/767463851.db2.gz BMOAHHKAMRGQAY-ACJLOTCBSA-N 1 1 329.400 0.767 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001046684598 767477480 /nfs/dbraw/zinc/47/74/80/767477480.db2.gz JMNFZAHWGXPBDJ-HUUCEWRRSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046691807 767492048 /nfs/dbraw/zinc/49/20/48/767492048.db2.gz MKCGJESZWYWEAJ-UONOGXRCSA-N 1 1 337.464 0.476 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)C1)CO2 ZINC001053976966 767510081 /nfs/dbraw/zinc/51/00/81/767510081.db2.gz KZFQWVNPYSXMNQ-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3n[nH]nc3C1)CO2 ZINC001053982443 767526897 /nfs/dbraw/zinc/52/68/97/767526897.db2.gz JPEFIOMQVNMIHH-OLZOCXBDSA-N 1 1 331.420 0.445 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@@H]1CCCNC1=O ZINC001017110175 767603334 /nfs/dbraw/zinc/60/33/34/767603334.db2.gz ZBFSRZRGUHUZGF-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)cn1)CO2 ZINC001054023245 767620671 /nfs/dbraw/zinc/62/06/71/767620671.db2.gz WNWQBWZIVIRKPT-CQSZACIVSA-N 1 1 344.415 0.720 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017125797 767628436 /nfs/dbraw/zinc/62/84/36/767628436.db2.gz FSGFCWULOXHYIR-UKRRQHHQSA-N 1 1 330.436 0.855 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017125797 767628438 /nfs/dbraw/zinc/62/84/38/767628438.db2.gz FSGFCWULOXHYIR-UKRRQHHQSA-N 1 1 330.436 0.855 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(N)=O)ccn1)CO2 ZINC001054026863 767629139 /nfs/dbraw/zinc/62/91/39/767629139.db2.gz HGMPNIDUGOWWPT-CQSZACIVSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3ncc[nH]3)C2)C1=O ZINC001017127976 767629220 /nfs/dbraw/zinc/62/92/20/767629220.db2.gz YNSNEYZAZPQUBN-LSDHHAIUSA-N 1 1 345.447 0.981 20 30 ECEDMO CC#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001054036608 767635299 /nfs/dbraw/zinc/63/52/99/767635299.db2.gz OUDBFIZGKLRXQT-MOPGFXCFSA-N 1 1 341.455 0.883 20 30 ECEDMO CC#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001054036608 767635305 /nfs/dbraw/zinc/63/53/05/767635305.db2.gz OUDBFIZGKLRXQT-MOPGFXCFSA-N 1 1 341.455 0.883 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001054036619 767636195 /nfs/dbraw/zinc/63/61/95/767636195.db2.gz OXVBQCROLQEWQL-ZWKOTPCHSA-N 1 1 327.428 0.493 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001054036619 767636197 /nfs/dbraw/zinc/63/61/97/767636197.db2.gz OXVBQCROLQEWQL-ZWKOTPCHSA-N 1 1 327.428 0.493 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001054048735 767647758 /nfs/dbraw/zinc/64/77/58/767647758.db2.gz HRFRFQARUGXWDR-IAGOWNOFSA-N 1 1 325.412 0.689 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001054050663 767650001 /nfs/dbraw/zinc/65/00/01/767650001.db2.gz IVWDWSLIWVEBJP-CVEARBPZSA-N 1 1 326.400 0.234 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001054050663 767650006 /nfs/dbraw/zinc/65/00/06/767650006.db2.gz IVWDWSLIWVEBJP-CVEARBPZSA-N 1 1 326.400 0.234 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001054099221 767686143 /nfs/dbraw/zinc/68/61/43/767686143.db2.gz CSQAAXJIYLGEMQ-CXAGYDPISA-N 1 1 347.419 0.012 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]21 ZINC001060476470 767688841 /nfs/dbraw/zinc/68/88/41/767688841.db2.gz RMRMRDFNUJBNFX-UYLCMAPUSA-N 1 1 343.406 0.841 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017192931 767706173 /nfs/dbraw/zinc/70/61/73/767706173.db2.gz DBIYXSDZJIYDDU-AWEZNQCLSA-N 1 1 344.415 0.723 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn3c(n1)COCC3)C2 ZINC001054153736 767749174 /nfs/dbraw/zinc/74/91/74/767749174.db2.gz YIIZTMZFUIGNHS-GOSISDBHSA-N 1 1 328.416 0.975 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3cnon3)C2)C1=O ZINC001017235681 767751859 /nfs/dbraw/zinc/75/18/59/767751859.db2.gz JODNJTZINZUZQO-ZFWWWQNUSA-N 1 1 347.419 0.641 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001054160510 767758763 /nfs/dbraw/zinc/75/87/63/767758763.db2.gz HPRGVZJUGUVYRP-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)cn1 ZINC001017248516 767767941 /nfs/dbraw/zinc/76/79/41/767767941.db2.gz MZNOSZBCMKGPSE-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@]3(CC[N@H+](CC(=O)NC)C3)C2)c1 ZINC001054194193 767793109 /nfs/dbraw/zinc/79/31/09/767793109.db2.gz LYLBMWJWPMJYNJ-IBGZPJMESA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C2 ZINC001054197330 767795346 /nfs/dbraw/zinc/79/53/46/767795346.db2.gz WBIYUTQDNOUJHQ-FCEWJHQRSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCS(=O)(=O)C1)C2 ZINC001054206171 767802002 /nfs/dbraw/zinc/80/20/02/767802002.db2.gz GKVLXFCSSLBOPH-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCS(=O)(=O)C1)C2 ZINC001054206171 767802010 /nfs/dbraw/zinc/80/20/10/767802010.db2.gz GKVLXFCSSLBOPH-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001054207097 767804365 /nfs/dbraw/zinc/80/43/65/767804365.db2.gz SAWXCOIYAGPTIN-GUYCJALGSA-N 1 1 334.420 0.475 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@]3(CC[N@H+](CCO)C3)C2)nn1 ZINC001054212528 767809939 /nfs/dbraw/zinc/80/99/39/767809939.db2.gz JAVHGJGNUTYPGB-KRWDZBQOSA-N 1 1 333.436 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccn3c(=O)[nH]nc13)C2 ZINC001054227091 767834301 /nfs/dbraw/zinc/83/43/01/767834301.db2.gz IBBXTECDAAVYEA-GOSISDBHSA-N 1 1 339.399 0.996 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 ZINC001054227403 767836728 /nfs/dbraw/zinc/83/67/28/767836728.db2.gz NBMSFFUJTMBSQB-QGZVFWFLSA-N 1 1 342.403 0.532 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001054237123 767847425 /nfs/dbraw/zinc/84/74/25/767847425.db2.gz VGZNTCUZBFMKKP-KRWDZBQOSA-N 1 1 334.420 0.381 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(C)CCOCCNc1ccncc1C#N ZINC001127347817 768381222 /nfs/dbraw/zinc/38/12/22/768381222.db2.gz TVJPDQOBJKSYLH-UHFFFAOYSA-N 1 1 347.463 0.994 20 30 ECEDMO CN(CCOCCNc1cnc(C#N)cn1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001127348111 768384850 /nfs/dbraw/zinc/38/48/50/768384850.db2.gz WNOYAFACOGKCHS-CQSZACIVSA-N 1 1 346.435 0.577 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@@H](O)C1 ZINC001083731888 768423595 /nfs/dbraw/zinc/42/35/95/768423595.db2.gz SBJRVIHPTUGZDR-OLZOCXBDSA-N 1 1 330.392 0.104 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1cc(C)nc(CO)n1 ZINC001106627969 768527136 /nfs/dbraw/zinc/52/71/36/768527136.db2.gz QJDNGOLRDDBQRG-HIFRSBDPSA-N 1 1 345.447 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1cc(C)nc(CO)n1 ZINC001106627969 768527137 /nfs/dbraw/zinc/52/71/37/768527137.db2.gz QJDNGOLRDDBQRG-HIFRSBDPSA-N 1 1 345.447 0.682 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001017974707 768573099 /nfs/dbraw/zinc/57/30/99/768573099.db2.gz FCPJFAHQYQCOMH-SOUVJXGZSA-N 1 1 330.436 0.877 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001017974707 768573105 /nfs/dbraw/zinc/57/31/05/768573105.db2.gz FCPJFAHQYQCOMH-SOUVJXGZSA-N 1 1 330.436 0.877 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CCn1cncn1 ZINC000993233373 768614227 /nfs/dbraw/zinc/61/42/27/768614227.db2.gz KVYHDDBMSUTGCV-JSGCOSHPSA-N 1 1 327.392 0.761 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@H]21 ZINC001042053346 782685237 /nfs/dbraw/zinc/68/52/37/782685237.db2.gz YSSZXJZHFDAPST-GOEBONIOSA-N 1 1 331.420 0.484 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001018063648 768679850 /nfs/dbraw/zinc/67/98/50/768679850.db2.gz RXCKVLFMFUNGDC-OKILXGFUSA-N 1 1 325.372 0.747 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001018063648 768679854 /nfs/dbraw/zinc/67/98/54/768679854.db2.gz RXCKVLFMFUNGDC-OKILXGFUSA-N 1 1 325.372 0.747 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001055238094 768694312 /nfs/dbraw/zinc/69/43/12/768694312.db2.gz UQXGTGWHVAHCQZ-XHSDSOJGSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001055238094 768694316 /nfs/dbraw/zinc/69/43/16/768694316.db2.gz UQXGTGWHVAHCQZ-XHSDSOJGSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCOCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001055271840 768728267 /nfs/dbraw/zinc/72/82/67/768728267.db2.gz WLKJDQUKUHBMIY-ZACQAIPSSA-N 1 1 349.475 0.838 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001055314107 768771009 /nfs/dbraw/zinc/77/10/09/768771009.db2.gz QRUBJVFIEPFIBO-DAYGRLMNSA-N 1 1 346.431 0.435 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001055337908 768794115 /nfs/dbraw/zinc/79/41/15/768794115.db2.gz KLBFDJXASSCCOK-IYBDPMFKSA-N 1 1 335.448 0.285 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001038576525 768794970 /nfs/dbraw/zinc/79/49/70/768794970.db2.gz UGBUGENEJFUFMZ-LBPRGKRZSA-N 1 1 330.396 0.464 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001055339249 768795682 /nfs/dbraw/zinc/79/56/82/768795682.db2.gz ANTNRUIAJNDIRF-NCOADZHNSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001055340190 768797676 /nfs/dbraw/zinc/79/76/76/768797676.db2.gz OMSZJQYLDKMOML-HRCADAONSA-N 1 1 344.415 0.147 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)C1 ZINC001055341525 768800010 /nfs/dbraw/zinc/80/00/10/768800010.db2.gz IDACCFVIACCCCZ-BHPKHCPMSA-N 1 1 326.404 0.526 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001055359656 768813302 /nfs/dbraw/zinc/81/33/02/768813302.db2.gz WPAAFMKWJQFEDN-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001055359656 768813307 /nfs/dbraw/zinc/81/33/07/768813307.db2.gz WPAAFMKWJQFEDN-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)C1 ZINC001055362229 768814230 /nfs/dbraw/zinc/81/42/30/768814230.db2.gz OMSOGXITCIXFJU-MIGQKNRLSA-N 1 1 340.431 0.916 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001055379770 768836718 /nfs/dbraw/zinc/83/67/18/768836718.db2.gz RQOFCTLWQJXJCC-MWDXBVQZSA-N 1 1 349.475 0.694 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993354801 768853093 /nfs/dbraw/zinc/85/30/93/768853093.db2.gz UBYISNYWMYBQLJ-DOTOQJQBSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993354801 768853103 /nfs/dbraw/zinc/85/31/03/768853103.db2.gz UBYISNYWMYBQLJ-DOTOQJQBSA-N 1 1 338.415 0.694 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COc3c(C)nn(C)c3C)C[C@@H]21 ZINC001042063528 782701846 /nfs/dbraw/zinc/70/18/46/782701846.db2.gz YNGWEBRYLSXGOI-CVEARBPZSA-N 1 1 330.432 0.972 20 30 ECEDMO COCC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001099263873 768877234 /nfs/dbraw/zinc/87/72/34/768877234.db2.gz JZBKZDHNGLFPBB-AWEZNQCLSA-N 1 1 333.436 0.685 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001099263873 768877246 /nfs/dbraw/zinc/87/72/46/768877246.db2.gz JZBKZDHNGLFPBB-AWEZNQCLSA-N 1 1 333.436 0.685 20 30 ECEDMO C=CCOCCCC(=O)NC1CC[NH+](CCNC(=O)C(F)F)CC1 ZINC001055478884 768897483 /nfs/dbraw/zinc/89/74/83/768897483.db2.gz CYLRCRNTVWZQOF-UHFFFAOYSA-N 1 1 347.406 0.931 20 30 ECEDMO N#CCSCC(=O)NC1CC[NH+](CCNC(=O)C(F)F)CC1 ZINC001055479708 768901730 /nfs/dbraw/zinc/90/17/30/768901730.db2.gz SQFPUENTXOBHJZ-UHFFFAOYSA-N 1 1 334.392 0.205 20 30 ECEDMO CC(F)(F)C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055493317 768935307 /nfs/dbraw/zinc/93/53/07/768935307.db2.gz LGWXNRGORBOOCJ-UHFFFAOYSA-N 1 1 327.375 0.752 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(C)(F)F)CC1 ZINC001055494632 768938331 /nfs/dbraw/zinc/93/83/31/768938331.db2.gz REKFGYCRLXJGEA-GFCCVEGCSA-N 1 1 345.390 0.377 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(c2cncc(C#N)n2)C3)C1 ZINC001055534796 769038382 /nfs/dbraw/zinc/03/83/82/769038382.db2.gz KBTCUPSQKHIEAA-DEYYWGMASA-N 1 1 340.431 0.775 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CCC(Nc3cnc(C#N)cn3)CC2)C1 ZINC001060583692 769071288 /nfs/dbraw/zinc/07/12/88/769071288.db2.gz LPCXXNWAHLSRLN-PIMMBPRGSA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CCC(Nc3cnc(C#N)cn3)CC2)C1 ZINC001060583692 769071298 /nfs/dbraw/zinc/07/12/98/769071298.db2.gz LPCXXNWAHLSRLN-PIMMBPRGSA-N 1 1 344.419 0.518 20 30 ECEDMO CC[C@H](SC)C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055562380 769120259 /nfs/dbraw/zinc/12/02/59/769120259.db2.gz YIYOWNNCXWPYCV-OCCSQVGLSA-N 1 1 340.493 0.984 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)C[C@@H]21 ZINC001042079520 782725071 /nfs/dbraw/zinc/72/50/71/782725071.db2.gz DUHQWGHVCSMPSG-PBHICJAKSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000993518679 769216295 /nfs/dbraw/zinc/21/62/95/769216295.db2.gz INZKNGSYWDFTPG-CMPLNLGQSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000993518679 769216301 /nfs/dbraw/zinc/21/63/01/769216301.db2.gz INZKNGSYWDFTPG-CMPLNLGQSA-N 1 1 325.390 0.143 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042083813 782732683 /nfs/dbraw/zinc/73/26/83/782732683.db2.gz GNJCPHBANRWGGZ-VNHYZAJKSA-N 1 1 328.420 0.631 20 30 ECEDMO C=CCOCC(=O)NC1CC[NH+](CCNC(=O)c2cnco2)CC1 ZINC001055602356 769236607 /nfs/dbraw/zinc/23/66/07/769236607.db2.gz YNMHLNUJONEGGX-UHFFFAOYSA-N 1 1 336.392 0.188 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)C[C@H]21 ZINC001042088314 782740673 /nfs/dbraw/zinc/74/06/73/782740673.db2.gz PJWYBINOCXWRFI-RHSMWYFYSA-N 1 1 336.399 0.832 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@@H]21 ZINC001042088731 782741914 /nfs/dbraw/zinc/74/19/14/782741914.db2.gz AGPAJTIBKYYQEM-JSGCOSHPSA-N 1 1 339.399 0.844 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC000993673179 769462293 /nfs/dbraw/zinc/46/22/93/769462293.db2.gz OQGWUVAZYFALBE-YPMHNXCESA-N 1 1 344.423 0.853 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC001018538605 769477645 /nfs/dbraw/zinc/47/76/45/769477645.db2.gz BPOWBTYYPHXTCJ-KBPBESRZSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COC[C@H]3CCCO3)C2)nn1 ZINC001098795896 769583289 /nfs/dbraw/zinc/58/32/89/769583289.db2.gz HHWRDPDLQUNKNZ-JKSUJKDBSA-N 1 1 349.435 0.523 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)c1 ZINC000993804660 769645644 /nfs/dbraw/zinc/64/56/44/769645644.db2.gz DXPBAWQQKQFZTC-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001018681813 769755537 /nfs/dbraw/zinc/75/55/37/769755537.db2.gz HYMJADLMCYGMKK-ZDUSSCGKSA-N 1 1 342.407 0.677 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C1CC1 ZINC001018682981 769756293 /nfs/dbraw/zinc/75/62/93/769756293.db2.gz SWAKRKLHJURIOD-PWSUYJOCSA-N 1 1 340.391 0.773 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)c1 ZINC000993878492 769777150 /nfs/dbraw/zinc/77/71/50/769777150.db2.gz KRDMNHROQXAFQB-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1C1CC1 ZINC001078360073 782773207 /nfs/dbraw/zinc/77/32/07/782773207.db2.gz KSOBLDVYIWCPLQ-SWLSCSKDSA-N 1 1 346.435 0.788 20 30 ECEDMO Cn1c(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nnc1C1CC1 ZINC001018738701 769831126 /nfs/dbraw/zinc/83/11/26/769831126.db2.gz VVEWSXSHVSUERE-ZDUSSCGKSA-N 1 1 339.403 0.897 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)[C@H]2C)nn1 ZINC000993942166 769917715 /nfs/dbraw/zinc/91/77/15/769917715.db2.gz CLOLGEBVUUVNOQ-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)[C@H]2C)nn1 ZINC000993942166 769917723 /nfs/dbraw/zinc/91/77/23/769917723.db2.gz CLOLGEBVUUVNOQ-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO C=C(C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055837540 769918951 /nfs/dbraw/zinc/91/89/51/769918951.db2.gz NMRXSKSXMKNVEV-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCO[C@@H](C[NH2+]Cc3ncccn3)C2)c1 ZINC001078374214 782800447 /nfs/dbraw/zinc/80/04/47/782800447.db2.gz UMEHFWFXUUHEPI-AWEZNQCLSA-N 1 1 340.387 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC001018861292 770124156 /nfs/dbraw/zinc/12/41/56/770124156.db2.gz MQRCOOFNEDKSII-CVEARBPZSA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC001018861292 770124159 /nfs/dbraw/zinc/12/41/59/770124159.db2.gz MQRCOOFNEDKSII-CVEARBPZSA-N 1 1 345.443 0.181 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001055910027 770176764 /nfs/dbraw/zinc/17/67/64/770176764.db2.gz FNGISPBTYCMXOT-GOSISDBHSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001055910152 770177893 /nfs/dbraw/zinc/17/78/93/770177893.db2.gz ICHSJILTVUVABF-LPHOPBHVSA-N 1 1 349.475 0.601 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C ZINC000994170866 770219659 /nfs/dbraw/zinc/21/96/59/770219659.db2.gz NZZGYIIJSDCUCD-CHWSQXEVSA-N 1 1 334.420 0.309 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C ZINC000994170869 770220847 /nfs/dbraw/zinc/22/08/47/770220847.db2.gz NZZGYIIJSDCUCD-OLZOCXBDSA-N 1 1 334.420 0.309 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H]1C ZINC000994186119 770274670 /nfs/dbraw/zinc/27/46/70/770274670.db2.gz ZYJQFCZVOPNKKC-LSDHHAIUSA-N 1 1 345.447 0.374 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@H]21 ZINC001042152667 782859802 /nfs/dbraw/zinc/85/98/02/782859802.db2.gz OUXBTDDIXVXYFW-UKRRQHHQSA-N 1 1 329.400 0.943 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001056075245 770761427 /nfs/dbraw/zinc/76/14/27/770761427.db2.gz HGMJVAGMEUSPBR-OAHLLOKOSA-N 1 1 328.420 0.790 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056124263 770882919 /nfs/dbraw/zinc/88/29/19/770882919.db2.gz LHCAWQRBHPDLQN-DNVCBOLYSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001056127662 770890552 /nfs/dbraw/zinc/89/05/52/770890552.db2.gz GLVNWOZJYPXROG-YJBOKZPZSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@@H]21 ZINC001042162997 782876348 /nfs/dbraw/zinc/87/63/48/782876348.db2.gz NDQVJHLUBWLOBN-BBRMVZONSA-N 1 1 337.387 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC)C2 ZINC001019142815 770913988 /nfs/dbraw/zinc/91/39/88/770913988.db2.gz ATJGZPCNXCKGSA-AWEZNQCLSA-N 1 1 335.473 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC)C2 ZINC001019142815 770913995 /nfs/dbraw/zinc/91/39/95/770913995.db2.gz ATJGZPCNXCKGSA-AWEZNQCLSA-N 1 1 335.473 0.508 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCCO1)C2 ZINC001019143857 770917647 /nfs/dbraw/zinc/91/76/47/770917647.db2.gz UIDXYZMPKGPWTM-JKSUJKDBSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCCO1)C2 ZINC001019143857 770917649 /nfs/dbraw/zinc/91/76/49/770917649.db2.gz UIDXYZMPKGPWTM-JKSUJKDBSA-N 1 1 345.443 0.324 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001019149457 770931537 /nfs/dbraw/zinc/93/15/37/770931537.db2.gz SXSCXCFYUOTFIL-HUUCEWRRSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001019149457 770931542 /nfs/dbraw/zinc/93/15/42/770931542.db2.gz SXSCXCFYUOTFIL-HUUCEWRRSA-N 1 1 349.475 0.979 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001060699602 771014968 /nfs/dbraw/zinc/01/49/68/771014968.db2.gz AJXWPMWRYWAHSD-BRWVUGGUSA-N 1 1 349.475 0.768 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001060699602 771014972 /nfs/dbraw/zinc/01/49/72/771014972.db2.gz AJXWPMWRYWAHSD-BRWVUGGUSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@H]21 ZINC001042179716 782899239 /nfs/dbraw/zinc/89/92/39/782899239.db2.gz PTNUCZRKGIJPRT-LSDHHAIUSA-N 1 1 328.416 0.567 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)Nc1ccnc(C#N)n1 ZINC001089435132 771167718 /nfs/dbraw/zinc/16/77/18/771167718.db2.gz QOLZVBLQGHFYNJ-RYUDHWBXSA-N 1 1 327.392 0.671 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001019353541 771192384 /nfs/dbraw/zinc/19/23/84/771192384.db2.gz PPOQZBKNKHGTRU-ZDUSSCGKSA-N 1 1 331.420 0.855 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C(C)C)C2)c1 ZINC001019356907 771197119 /nfs/dbraw/zinc/19/71/19/771197119.db2.gz MENPGEGIJNPBPX-HNNXBMFYSA-N 1 1 339.403 0.635 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001056401449 771226438 /nfs/dbraw/zinc/22/64/38/771226438.db2.gz GSEBWWDAHUMJJD-GVDBMIGSSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnn(C)c3C)C2)C1=O ZINC001031550600 771265436 /nfs/dbraw/zinc/26/54/36/771265436.db2.gz CKBQANFKBKCYPC-OAHLLOKOSA-N 1 1 331.420 0.177 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cccc(C)n3)C2)C1=O ZINC001031554986 771272292 /nfs/dbraw/zinc/27/22/92/771272292.db2.gz NQJSCQZXXIMULJ-INIZCTEOSA-N 1 1 328.416 0.839 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001056450948 771281581 /nfs/dbraw/zinc/28/15/81/771281581.db2.gz IXNQQYSSRJCORJ-QSJFSLAZSA-N 1 1 340.431 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(C)n3)C[C@H]21 ZINC001056467389 771304984 /nfs/dbraw/zinc/30/49/84/771304984.db2.gz QXZHCXGFFPQOJM-VVLHAWIVSA-N 1 1 339.443 0.742 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(C)n3)C[C@H]21 ZINC001056467389 771304989 /nfs/dbraw/zinc/30/49/89/771304989.db2.gz QXZHCXGFFPQOJM-VVLHAWIVSA-N 1 1 339.443 0.742 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCOCCNc2cncc(C#N)n2)C1 ZINC001127486185 771335150 /nfs/dbraw/zinc/33/51/50/771335150.db2.gz JUQWKUANODPOLS-AWEZNQCLSA-N 1 1 346.435 0.577 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031594887 771368273 /nfs/dbraw/zinc/36/82/73/771368273.db2.gz LWRWIZONAJJUNG-KRWDZBQOSA-N 1 1 346.406 0.576 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031594887 771368277 /nfs/dbraw/zinc/36/82/77/771368277.db2.gz LWRWIZONAJJUNG-KRWDZBQOSA-N 1 1 346.406 0.576 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001031600233 771382731 /nfs/dbraw/zinc/38/27/31/771382731.db2.gz LZNQGWUVYOPARW-AWEZNQCLSA-N 1 1 330.388 0.236 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1ncccn1 ZINC001127511099 771395885 /nfs/dbraw/zinc/39/58/85/771395885.db2.gz HMEADXHEPFJSIA-HNNXBMFYSA-N 1 1 331.420 0.461 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1ncccn1 ZINC001127511099 771395890 /nfs/dbraw/zinc/39/58/90/771395890.db2.gz HMEADXHEPFJSIA-HNNXBMFYSA-N 1 1 331.420 0.461 20 30 ECEDMO Cc1csc(=O)n1CC[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031603897 771401030 /nfs/dbraw/zinc/40/10/30/771401030.db2.gz ANZPLPIFLYOHKB-UHFFFAOYSA-N 1 1 345.428 0.780 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC(C)(C)C1 ZINC001089541985 771427077 /nfs/dbraw/zinc/42/70/77/771427077.db2.gz PTOJFKDKAHNFOA-CYBMUJFWSA-N 1 1 334.420 0.120 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2cc(C)[nH+]c(C)n2)CCCO1 ZINC001089546124 771445266 /nfs/dbraw/zinc/44/52/66/771445266.db2.gz GJXGELAPQKJIMI-ZBFHGGJFSA-N 1 1 346.431 0.843 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089552395 771466287 /nfs/dbraw/zinc/46/62/87/771466287.db2.gz CJKLQCDFEKPLEN-ZDUSSCGKSA-N 1 1 346.431 0.730 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC(C)(C)C1 ZINC001089553139 771468444 /nfs/dbraw/zinc/46/84/44/771468444.db2.gz HJBIQJGRZGCWJR-AWEZNQCLSA-N 1 1 348.447 0.511 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001056756273 771595614 /nfs/dbraw/zinc/59/56/14/771595614.db2.gz HVAWFPWGWSHHNA-LSDHHAIUSA-N 1 1 342.447 0.905 20 30 ECEDMO NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC001042210005 782941477 /nfs/dbraw/zinc/94/14/77/782941477.db2.gz FMWFEBICPUKUTA-HOCLYGCPSA-N 1 1 329.375 0.585 20 30 ECEDMO NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC001042210005 782941484 /nfs/dbraw/zinc/94/14/84/782941484.db2.gz FMWFEBICPUKUTA-HOCLYGCPSA-N 1 1 329.375 0.585 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)cc1 ZINC001042211693 782945495 /nfs/dbraw/zinc/94/54/95/782945495.db2.gz UEINPZPTLYWRDC-HOCLYGCPSA-N 1 1 342.399 0.497 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001019673344 771701617 /nfs/dbraw/zinc/70/16/17/771701617.db2.gz ODHPDVJFAZMJIP-ZDUSSCGKSA-N 1 1 340.387 0.226 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056880013 771757786 /nfs/dbraw/zinc/75/77/86/771757786.db2.gz RXHOLCDQHLTFDM-GJZGRUSLSA-N 1 1 344.419 0.024 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056880013 771757788 /nfs/dbraw/zinc/75/77/88/771757788.db2.gz RXHOLCDQHLTFDM-GJZGRUSLSA-N 1 1 344.419 0.024 20 30 ECEDMO CCc1nc(C#N)cc(N(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001056926744 771815417 /nfs/dbraw/zinc/81/54/17/771815417.db2.gz OPCVHFHBEIBSCN-HIFRSBDPSA-N 1 1 342.447 0.899 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 ZINC001056927026 771816609 /nfs/dbraw/zinc/81/66/09/771816609.db2.gz VNOZQHVLZSXLDG-ZDUSSCGKSA-N 1 1 325.376 0.591 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 ZINC001056927065 771816624 /nfs/dbraw/zinc/81/66/24/771816624.db2.gz WDPBBQVXJNFKSR-AWEZNQCLSA-N 1 1 325.376 0.591 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3cnc(C#N)cn3)C2)C1 ZINC001056928261 771819295 /nfs/dbraw/zinc/81/92/95/771819295.db2.gz COEHUAKDIHVGEQ-LSDHHAIUSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3cnc(C#N)cn3)C2)C1 ZINC001056928261 771819299 /nfs/dbraw/zinc/81/92/99/771819299.db2.gz COEHUAKDIHVGEQ-LSDHHAIUSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3cncc(C#N)n3)C2)C1 ZINC001056930504 771822212 /nfs/dbraw/zinc/82/22/12/771822212.db2.gz MDIXOCRXMDPUJC-GJZGRUSLSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3cncc(C#N)n3)C2)C1 ZINC001056930504 771822214 /nfs/dbraw/zinc/82/22/14/771822214.db2.gz MDIXOCRXMDPUJC-GJZGRUSLSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CCc3ccnn3C)C2)CC1 ZINC001019816218 771832119 /nfs/dbraw/zinc/83/21/19/771832119.db2.gz VHQJGBRBWWROQX-KRWDZBQOSA-N 1 1 343.475 0.498 20 30 ECEDMO CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056939793 771835939 /nfs/dbraw/zinc/83/59/39/771835939.db2.gz DKGWUDFWJNGUAM-HNNXBMFYSA-N 1 1 344.419 0.108 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nnc4c3CCCC4)C[C@@H]21 ZINC001042237437 782967568 /nfs/dbraw/zinc/96/75/68/782967568.db2.gz GRERNPOEDUXTKI-PBHICJAKSA-N 1 1 327.432 0.713 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3cnc(C#N)cn3)C2)C1 ZINC001057029119 771965893 /nfs/dbraw/zinc/96/58/93/771965893.db2.gz FJDZKGLEOSKSOB-DZGCQCFKSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C(C)=C\CC ZINC001057124052 772121655 /nfs/dbraw/zinc/12/16/55/772121655.db2.gz NDZKUHWYVZHPJG-UJPCXNRSSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C(C)=C\CC ZINC001057124052 772121657 /nfs/dbraw/zinc/12/16/57/772121657.db2.gz NDZKUHWYVZHPJG-UJPCXNRSSA-N 1 1 335.448 0.377 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C[C@@H]21 ZINC001042254611 782988707 /nfs/dbraw/zinc/98/87/07/782988707.db2.gz MOUGFJMRKNGHPH-HIFRSBDPSA-N 1 1 346.431 0.197 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001057146693 772165167 /nfs/dbraw/zinc/16/51/67/772165167.db2.gz JVQPGYGOXBGWMY-HNNXBMFYSA-N 1 1 344.419 0.108 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001057146693 772165168 /nfs/dbraw/zinc/16/51/68/772165168.db2.gz JVQPGYGOXBGWMY-HNNXBMFYSA-N 1 1 344.419 0.108 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCOC2)[C@H]1C ZINC001020119318 772180092 /nfs/dbraw/zinc/18/00/92/772180092.db2.gz ZWCHTHMRRVPLLD-QAETUUGQSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCOC2)[C@H]1C ZINC001020119318 772180094 /nfs/dbraw/zinc/18/00/94/772180094.db2.gz ZWCHTHMRRVPLLD-QAETUUGQSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@H]1C ZINC001020119319 772180156 /nfs/dbraw/zinc/18/01/56/772180156.db2.gz ZWCHTHMRRVPLLD-YVSFHVDLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@H]1C ZINC001020119319 772180159 /nfs/dbraw/zinc/18/01/59/772180159.db2.gz ZWCHTHMRRVPLLD-YVSFHVDLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cscn2)[C@H]1C ZINC001020120005 772181291 /nfs/dbraw/zinc/18/12/91/772181291.db2.gz DEUMBCSPFLROGZ-YDHLFZDLSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cscn2)[C@H]1C ZINC001020120005 772181297 /nfs/dbraw/zinc/18/12/97/772181297.db2.gz DEUMBCSPFLROGZ-YDHLFZDLSA-N 1 1 346.456 0.960 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001057170790 772211228 /nfs/dbraw/zinc/21/12/28/772211228.db2.gz AYXSAQOLMSAKLK-MRXNPFEDSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001078465189 782996427 /nfs/dbraw/zinc/99/64/27/782996427.db2.gz REDSQXFGAVBDJM-CYBMUJFWSA-N 1 1 334.424 0.274 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001020201576 772277042 /nfs/dbraw/zinc/27/70/42/772277042.db2.gz PXCZQABWHYOGNK-ZENOOKHLSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C1CCC(C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001057212825 772288487 /nfs/dbraw/zinc/28/84/87/772288487.db2.gz XEZKLZWGZYYRQV-INIZCTEOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057213924 772290661 /nfs/dbraw/zinc/29/06/61/772290661.db2.gz RHSGKZVDGXNEIJ-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](OC)C2CC2)[C@H]1C ZINC001020223804 772309945 /nfs/dbraw/zinc/30/99/45/772309945.db2.gz CEHGULDRLGYZFN-QSPRXWTASA-N 1 1 347.459 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](OC)C2CC2)[C@H]1C ZINC001020223804 772309951 /nfs/dbraw/zinc/30/99/51/772309951.db2.gz CEHGULDRLGYZFN-QSPRXWTASA-N 1 1 347.459 0.615 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@H]21 ZINC001042265462 783005036 /nfs/dbraw/zinc/00/50/36/783005036.db2.gz GMURVTVGCOHBLA-TZMCWYRMSA-N 1 1 325.372 0.605 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C)nn1 ZINC001020269402 772376221 /nfs/dbraw/zinc/37/62/21/772376221.db2.gz UMBDNJLQYLOVOD-IHRRRGAJSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCOCCCC(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001057267392 772376600 /nfs/dbraw/zinc/37/66/00/772376600.db2.gz BHEQZFZZWWODRW-UHFFFAOYSA-N 1 1 343.468 0.247 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 ZINC001057426860 772601910 /nfs/dbraw/zinc/60/19/10/772601910.db2.gz JCBORHLKTYBIEK-SWLSCSKDSA-N 1 1 328.420 0.949 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNc2ccnc(C#N)n2)CC1 ZINC001057479676 772667316 /nfs/dbraw/zinc/66/73/16/772667316.db2.gz WFWJZPNVSPYHKQ-AWEZNQCLSA-N 1 1 328.420 0.515 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001057525366 772718235 /nfs/dbraw/zinc/71/82/35/772718235.db2.gz PWVWDHYHTLKCNT-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057531266 772726409 /nfs/dbraw/zinc/72/64/09/772726409.db2.gz LDWOVSFVAQBNPJ-UHFFFAOYSA-N 1 1 346.431 0.322 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001057599016 772794973 /nfs/dbraw/zinc/79/49/73/772794973.db2.gz NXIXDNTZFALVIR-OAHLLOKOSA-N 1 1 339.480 0.868 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ncccc3C#N)C2)C1 ZINC001057600745 772797804 /nfs/dbraw/zinc/79/78/04/772797804.db2.gz FPIGVTOQHVWMOI-GJZGRUSLSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ncccc3C#N)C2)C1 ZINC001057600745 772797806 /nfs/dbraw/zinc/79/78/06/772797806.db2.gz FPIGVTOQHVWMOI-GJZGRUSLSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCC(CC=C)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057642638 772854221 /nfs/dbraw/zinc/85/42/21/772854221.db2.gz SCKHYKSQSZKQOD-UHFFFAOYSA-N 1 1 348.447 0.897 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057642936 772854595 /nfs/dbraw/zinc/85/45/95/772854595.db2.gz YYEQSNGXJYUPJP-UHFFFAOYSA-N 1 1 336.436 0.731 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057643957 772856110 /nfs/dbraw/zinc/85/61/10/772856110.db2.gz ROENHDZVFPYRML-UHFFFAOYSA-N 1 1 336.436 0.731 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057655705 772872441 /nfs/dbraw/zinc/87/24/41/772872441.db2.gz QWMPQVBKLOJKNR-LSDHHAIUSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057655705 772872444 /nfs/dbraw/zinc/87/24/44/772872444.db2.gz QWMPQVBKLOJKNR-LSDHHAIUSA-N 1 1 344.419 0.472 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057718687 772942245 /nfs/dbraw/zinc/94/22/45/772942245.db2.gz QCKORPAEFPPHQT-SJORKVTESA-N 1 1 347.459 0.354 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001057770271 772971729 /nfs/dbraw/zinc/97/17/29/772971729.db2.gz WXCDDNAAIPZAHM-SOUVJXGZSA-N 1 1 342.447 0.903 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2cncc(C#N)n2)C1 ZINC001057773403 772974358 /nfs/dbraw/zinc/97/43/58/772974358.db2.gz JRSNYMXSGOPRLO-ZBFHGGJFSA-N 1 1 338.415 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2cncc(C#N)n2)C1 ZINC001057773403 772974360 /nfs/dbraw/zinc/97/43/60/772974360.db2.gz JRSNYMXSGOPRLO-ZBFHGGJFSA-N 1 1 338.415 0.849 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001057786336 772982344 /nfs/dbraw/zinc/98/23/44/772982344.db2.gz UMFKGQAMTDLWMJ-MRXNPFEDSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001057786336 772982346 /nfs/dbraw/zinc/98/23/46/772982346.db2.gz UMFKGQAMTDLWMJ-MRXNPFEDSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001057864339 773091860 /nfs/dbraw/zinc/09/18/60/773091860.db2.gz NOFDNNSAHPTSLO-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001057903562 773164751 /nfs/dbraw/zinc/16/47/51/773164751.db2.gz OUNLBEDUAVVKKB-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001057961206 773291250 /nfs/dbraw/zinc/29/12/50/773291250.db2.gz MRHWGKQBPXTEPP-KRWDZBQOSA-N 1 1 347.459 0.215 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001057961206 773291254 /nfs/dbraw/zinc/29/12/54/773291254.db2.gz MRHWGKQBPXTEPP-KRWDZBQOSA-N 1 1 347.459 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC=CCC1 ZINC001057961423 773292215 /nfs/dbraw/zinc/29/22/15/773292215.db2.gz XCSRACMRXDUAET-SJORKVTESA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC=CCC1 ZINC001057961423 773292219 /nfs/dbraw/zinc/29/22/19/773292219.db2.gz XCSRACMRXDUAET-SJORKVTESA-N 1 1 347.459 0.377 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CCN(c3nccnc3C#N)CC2)CC[N@H+]1C ZINC001057964915 773298212 /nfs/dbraw/zinc/29/82/12/773298212.db2.gz PIIPDXDBORAHBW-TZMCWYRMSA-N 1 1 328.420 0.773 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001058054571 773440165 /nfs/dbraw/zinc/44/01/65/773440165.db2.gz GIBPZKCHSMPWHZ-QGZVFWFLSA-N 1 1 349.475 0.457 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058113063 773559122 /nfs/dbraw/zinc/55/91/22/773559122.db2.gz UYKRUDUYURKDKE-DZGCQCFKSA-N 1 1 336.436 0.587 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058113065 773559309 /nfs/dbraw/zinc/55/93/09/773559309.db2.gz UYKRUDUYURKDKE-UKRRQHHQSA-N 1 1 336.436 0.587 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001058119913 773573417 /nfs/dbraw/zinc/57/34/17/773573417.db2.gz CTLUZRYKLYDSNF-HIFRSBDPSA-N 1 1 328.420 0.836 20 30 ECEDMO Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058134442 773604638 /nfs/dbraw/zinc/60/46/38/773604638.db2.gz FAQGQEPDNXALEP-WBVHZDCISA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058134442 773604640 /nfs/dbraw/zinc/60/46/40/773604640.db2.gz FAQGQEPDNXALEP-WBVHZDCISA-N 1 1 343.431 0.677 20 30 ECEDMO C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CCC ZINC001058252349 773844332 /nfs/dbraw/zinc/84/43/32/773844332.db2.gz GMGAWIMIUPMWNA-HNNXBMFYSA-N 1 1 343.468 0.247 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cccc(F)c3C#N)C2)C1 ZINC001058317122 773961870 /nfs/dbraw/zinc/96/18/70/773961870.db2.gz PBMUMPUSQCYLIY-BLLLJJGKSA-N 1 1 332.379 0.723 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cccc(F)c3C#N)C2)C1 ZINC001058317122 773961877 /nfs/dbraw/zinc/96/18/77/773961877.db2.gz PBMUMPUSQCYLIY-BLLLJJGKSA-N 1 1 332.379 0.723 20 30 ECEDMO C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001039830429 783167056 /nfs/dbraw/zinc/16/70/56/783167056.db2.gz GYJXLMUWMOICCN-DYVFJYSZSA-N 1 1 334.420 0.634 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058521646 774353793 /nfs/dbraw/zinc/35/37/93/774353793.db2.gz QJHLETGVOYVDHJ-NVXWUHKLSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058521646 774353800 /nfs/dbraw/zinc/35/38/00/774353800.db2.gz QJHLETGVOYVDHJ-NVXWUHKLSA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001058525188 774362777 /nfs/dbraw/zinc/36/27/77/774362777.db2.gz IVRYKRDASYJAAQ-IHRRRGAJSA-N 1 1 328.420 0.773 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)CC[N@H+]1C ZINC001058573352 774456743 /nfs/dbraw/zinc/45/67/43/774456743.db2.gz KCTAYAAMKKVDQP-KCQAQPDRSA-N 1 1 328.420 0.773 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001058626239 774565219 /nfs/dbraw/zinc/56/52/19/774565219.db2.gz AXIBSFYTVCWOIR-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(c1cnc(C#N)cn1)CC2 ZINC001058627494 774566741 /nfs/dbraw/zinc/56/67/41/774566741.db2.gz TWSKHBOMNHSBGI-HUUCEWRRSA-N 1 1 340.431 0.918 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnn(C)n3)C[C@@H]2C)cn1 ZINC001044829842 774657765 /nfs/dbraw/zinc/65/77/65/774657765.db2.gz VILAZZPNUDFZSY-SWLSCSKDSA-N 1 1 339.403 0.369 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001044986356 774801635 /nfs/dbraw/zinc/80/16/35/774801635.db2.gz UZHUAMPKRIOPQO-JSGCOSHPSA-N 1 1 334.420 0.339 20 30 ECEDMO CCn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)nn1 ZINC001045006250 774827551 /nfs/dbraw/zinc/82/75/51/774827551.db2.gz XUQMEHNZMDVJMR-HNNXBMFYSA-N 1 1 327.392 0.892 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001045059992 774913517 /nfs/dbraw/zinc/91/35/17/774913517.db2.gz ZUJIRFSCDXFBRP-CABCVRRESA-N 1 1 337.464 0.620 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001045069340 774929628 /nfs/dbraw/zinc/92/96/28/774929628.db2.gz TUCZBAVTYURQPG-QLFBSQMISA-N 1 1 337.464 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nnc(C)o1 ZINC001045073908 774936679 /nfs/dbraw/zinc/93/66/79/774936679.db2.gz SNNJXRSMQGBWHK-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nnc(C)o1 ZINC001045073908 774936684 /nfs/dbraw/zinc/93/66/84/774936684.db2.gz SNNJXRSMQGBWHK-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)C1 ZINC001040673736 783229668 /nfs/dbraw/zinc/22/96/68/783229668.db2.gz JVGCGWBFVGFWPS-OFQRWUPVSA-N 1 1 340.431 0.727 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O ZINC001043874295 775172482 /nfs/dbraw/zinc/17/24/82/775172482.db2.gz HEOHMLWNIWRNQD-BMFZPTHFSA-N 1 1 332.379 0.457 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cnn(C)n2)nn1 ZINC001045235148 775194753 /nfs/dbraw/zinc/19/47/53/775194753.db2.gz JVXJYECMCBNZKG-AWEZNQCLSA-N 1 1 344.423 0.377 20 30 ECEDMO CCc1cc(N2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001043892392 775236102 /nfs/dbraw/zinc/23/61/02/775236102.db2.gz WQFIZYKJZRGGBI-CABCVRRESA-N 1 1 340.387 0.527 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043910979 775292266 /nfs/dbraw/zinc/29/22/66/775292266.db2.gz XTBRDXLEFSPCKD-UHFFFAOYSA-N 1 1 334.420 0.483 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001070021011 790351398 /nfs/dbraw/zinc/35/13/98/790351398.db2.gz AXOADTARRDHMNQ-HIFRSBDPSA-N 1 1 342.403 0.208 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@@H]2n2ccnn2)c1 ZINC001070022234 790355424 /nfs/dbraw/zinc/35/54/24/790355424.db2.gz DDUYGLDCWYKAIO-SJORKVTESA-N 1 1 338.415 0.966 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070023175 790357772 /nfs/dbraw/zinc/35/77/72/790357772.db2.gz GBEIZXQRRPBZKP-ZNMIVQPWSA-N 1 1 346.435 0.255 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001045454923 775631099 /nfs/dbraw/zinc/63/10/99/775631099.db2.gz HEKNCTIPGIXWGI-CVEARBPZSA-N 1 1 349.475 0.907 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001045552196 775782860 /nfs/dbraw/zinc/78/28/60/775782860.db2.gz QVBYKQNENOFOKY-UONOGXRCSA-N 1 1 336.436 0.098 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)CCC)C2)CC1 ZINC001044297721 776086072 /nfs/dbraw/zinc/08/60/72/776086072.db2.gz DBWPOGSYGWFKQF-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCOCCCC(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044303073 776102461 /nfs/dbraw/zinc/10/24/61/776102461.db2.gz UDXBAYFPGIAPIS-UHFFFAOYSA-N 1 1 341.452 0.001 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)c1 ZINC001045744620 776126255 /nfs/dbraw/zinc/12/62/55/776126255.db2.gz AASZTAGTFMRMPZ-IPYPFGDCSA-N 1 1 327.388 0.454 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001070040927 790423504 /nfs/dbraw/zinc/42/35/04/790423504.db2.gz MIUQJWJHSXJIIF-KGLIPLIRSA-N 1 1 342.407 0.163 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001044336886 776180158 /nfs/dbraw/zinc/18/01/58/776180158.db2.gz XBSWHWMMUFRAFH-SJORKVTESA-N 1 1 348.491 0.790 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O ZINC001044538437 776408137 /nfs/dbraw/zinc/40/81/37/776408137.db2.gz NALYDEZAZFKBTL-MJEQTWJJSA-N 1 1 346.406 0.847 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O ZINC001044539207 776409574 /nfs/dbraw/zinc/40/95/74/776409574.db2.gz YSOZYDZHAQETBH-BJJXKVORSA-N 1 1 329.404 0.103 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2coc(C3CC3)n2)[C@@H](n2ccnn2)C1 ZINC001070048051 790446635 /nfs/dbraw/zinc/44/66/35/790446635.db2.gz WBBZVYARSKBGAP-HIFRSBDPSA-N 1 1 340.387 0.822 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2coc(C3CC3)n2)[C@@H](n2ccnn2)C1 ZINC001070048051 790446642 /nfs/dbraw/zinc/44/66/42/790446642.db2.gz WBBZVYARSKBGAP-HIFRSBDPSA-N 1 1 340.387 0.822 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnn(C)n3)C[C@H]2C)cc1 ZINC001044709865 776677183 /nfs/dbraw/zinc/67/71/83/776677183.db2.gz ZJVJBBWMSPHXRC-CZUORRHYSA-N 1 1 338.415 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC(C)(C)O)C1 ZINC001079694348 776705997 /nfs/dbraw/zinc/70/59/97/776705997.db2.gz GQQUWUUKIUCZLR-HNNXBMFYSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC(C)(C)O)C1 ZINC001079694348 776706002 /nfs/dbraw/zinc/70/60/02/776706002.db2.gz GQQUWUUKIUCZLR-HNNXBMFYSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc3[nH]cnc32)[C@@H](n2ccnn2)C1 ZINC001070060398 790476301 /nfs/dbraw/zinc/47/63/01/790476301.db2.gz UHRYWJUEOLXOGZ-CVEARBPZSA-N 1 1 349.398 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC2(O)CCC2)C1 ZINC001079734997 776776520 /nfs/dbraw/zinc/77/65/20/776776520.db2.gz KEXVPKKPDZAORQ-INIZCTEOSA-N 1 1 347.459 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC2(O)CCC2)C1 ZINC001079734997 776776527 /nfs/dbraw/zinc/77/65/27/776776527.db2.gz KEXVPKKPDZAORQ-INIZCTEOSA-N 1 1 347.459 0.448 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001079743728 776787556 /nfs/dbraw/zinc/78/75/56/776787556.db2.gz COTUKMRABATFGJ-UHFFFAOYSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079773411 776841280 /nfs/dbraw/zinc/84/12/80/776841280.db2.gz JTPVDXWFFLBUIR-KRWDZBQOSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001079774593 776846004 /nfs/dbraw/zinc/84/60/04/776846004.db2.gz GZNVZKACPRWCSM-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001079776944 776852390 /nfs/dbraw/zinc/85/23/90/776852390.db2.gz PIQOOJYRELQJHL-AWEZNQCLSA-N 1 1 332.404 0.289 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001079778312 776857972 /nfs/dbraw/zinc/85/79/72/776857972.db2.gz WKXWZOFLNURSAH-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001079878340 777011716 /nfs/dbraw/zinc/01/17/16/777011716.db2.gz TWBNIFHQNGQDMT-OIISXLGYSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001079878340 777011722 /nfs/dbraw/zinc/01/17/22/777011722.db2.gz TWBNIFHQNGQDMT-OIISXLGYSA-N 1 1 329.448 0.454 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001079902098 777049429 /nfs/dbraw/zinc/04/94/29/777049429.db2.gz JTFJPHVTMWKIBB-BPLDGKMQSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001079902098 777049436 /nfs/dbraw/zinc/04/94/36/777049436.db2.gz JTFJPHVTMWKIBB-BPLDGKMQSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cncs3)C2)C1=O ZINC001079906909 777055153 /nfs/dbraw/zinc/05/51/53/777055153.db2.gz GYPWAZAIQDDHRR-YUELXQCFSA-N 1 1 348.472 0.909 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079930667 777105294 /nfs/dbraw/zinc/10/52/94/777105294.db2.gz XQABWEIGGAFMOX-QGZVFWFLSA-N 1 1 325.453 0.713 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070072647 790509791 /nfs/dbraw/zinc/50/97/91/790509791.db2.gz PTERTRIZHJDHGG-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO CCN(C(=O)[C@H](Cn1cccn1)[NH+](C)C)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001079943672 777121118 /nfs/dbraw/zinc/12/11/18/777121118.db2.gz KRHSFHFQQLSMDT-HIFRSBDPSA-N 1 1 346.435 0.032 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001079947972 777129307 /nfs/dbraw/zinc/12/93/07/777129307.db2.gz SLXQZQPXGBQALE-QLFBSQMISA-N 1 1 330.432 0.918 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080141334 777453043 /nfs/dbraw/zinc/45/30/43/777453043.db2.gz FFWUVENTZCCXKY-CABCVRRESA-N 1 1 335.448 0.426 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001080231320 777585728 /nfs/dbraw/zinc/58/57/28/777585728.db2.gz HUCDWQAQJFMLSL-HUUCEWRRSA-N 1 1 343.431 0.899 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261391 777622704 /nfs/dbraw/zinc/62/27/04/777622704.db2.gz MIAGNGKSBIUQQL-UHOFOFEASA-N 1 1 326.400 0.631 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261391 777622709 /nfs/dbraw/zinc/62/27/09/777622709.db2.gz MIAGNGKSBIUQQL-UHOFOFEASA-N 1 1 326.400 0.631 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001080292395 777653274 /nfs/dbraw/zinc/65/32/74/777653274.db2.gz RLBNJESIOLEMMF-AQGHMYMLSA-N 1 1 333.432 0.102 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2csc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070091529 790571921 /nfs/dbraw/zinc/57/19/21/790571921.db2.gz QFUYYTMLYRSZPR-CABCVRRESA-N 1 1 344.444 0.651 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043207052 777959025 /nfs/dbraw/zinc/95/90/25/777959025.db2.gz LBIWUQDJAHWKAW-KGLIPLIRSA-N 1 1 337.464 0.476 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC001068564525 790581074 /nfs/dbraw/zinc/58/10/74/790581074.db2.gz UZCRTXUIONOFRK-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001080558256 778029574 /nfs/dbraw/zinc/02/95/74/778029574.db2.gz PLCBVUDZZLYYNB-HNNXBMFYSA-N 1 1 335.448 0.570 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080560909 778042696 /nfs/dbraw/zinc/04/26/96/778042696.db2.gz GJOVZMNEPQRGCH-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043250745 778047520 /nfs/dbraw/zinc/04/75/20/778047520.db2.gz HLZKTCMVCCJMKY-HZSPNIEDSA-N 1 1 328.420 0.371 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)C#CC(C)C)O2 ZINC001068569268 790594913 /nfs/dbraw/zinc/59/49/13/790594913.db2.gz RTOVKUMWYVYYMN-MRXNPFEDSA-N 1 1 349.475 0.864 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C#CC1CC1)O2 ZINC001068572736 790606977 /nfs/dbraw/zinc/60/69/77/790606977.db2.gz KOTNQNDBASRKQE-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001043410528 778285709 /nfs/dbraw/zinc/28/57/09/778285709.db2.gz OBRLTIBWPWOEJG-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)C(C)C)C2)CCC1 ZINC001043430749 778317487 /nfs/dbraw/zinc/31/74/87/778317487.db2.gz MHKJPSZIBVHUIT-UHFFFAOYSA-N 1 1 335.448 0.210 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001043451179 778356409 /nfs/dbraw/zinc/35/64/09/778356409.db2.gz ZJWHZCREPNBOAF-MRXNPFEDSA-N 1 1 349.475 0.313 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001068575920 790615288 /nfs/dbraw/zinc/61/52/88/790615288.db2.gz XOTYXQLDSVRAJM-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001043517509 778451278 /nfs/dbraw/zinc/45/12/78/778451278.db2.gz MVZZRFQLBGRPRY-GZBFAFLISA-N 1 1 328.420 0.949 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cn2)[C@@H](n2ccnn2)C1 ZINC001070108149 790628988 /nfs/dbraw/zinc/62/89/88/790628988.db2.gz MDOAAHHIANKWCM-CVEARBPZSA-N 1 1 341.419 0.580 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cn2)[C@@H](n2ccnn2)C1 ZINC001070108149 790628995 /nfs/dbraw/zinc/62/89/95/790628995.db2.gz MDOAAHHIANKWCM-CVEARBPZSA-N 1 1 341.419 0.580 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070108797 790631786 /nfs/dbraw/zinc/63/17/86/790631786.db2.gz QJCBBUUWCSDAPI-HZPDHXFCSA-N 1 1 349.475 0.768 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1Nc1cncc(C#N)n1 ZINC001043601557 778572146 /nfs/dbraw/zinc/57/21/46/778572146.db2.gz WNFOKBTVPBHIFM-QHSBEEBCSA-N 1 1 344.419 0.326 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1Nc1cncc(C#N)n1 ZINC001043601557 778572149 /nfs/dbraw/zinc/57/21/49/778572149.db2.gz WNFOKBTVPBHIFM-QHSBEEBCSA-N 1 1 344.419 0.326 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043612695 778592622 /nfs/dbraw/zinc/59/26/22/778592622.db2.gz LUCOYXMMSVFFTB-UHFFFAOYSA-N 1 1 325.453 0.763 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)O2 ZINC001068586948 790639061 /nfs/dbraw/zinc/63/90/61/790639061.db2.gz NZYRLUQHBZWTLU-UKRRQHHQSA-N 1 1 348.447 0.507 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043659037 778679387 /nfs/dbraw/zinc/67/93/87/778679387.db2.gz GFMAPBOXWQCOEW-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001043660899 778681762 /nfs/dbraw/zinc/68/17/62/778681762.db2.gz OZDNQQYCYIAJQL-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070112375 790644283 /nfs/dbraw/zinc/64/42/83/790644283.db2.gz WVAQBCAIPQMGHU-UHFFFAOYSA-N 1 1 335.448 0.523 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 ZINC001068588953 790645423 /nfs/dbraw/zinc/64/54/23/790645423.db2.gz PBHRTTWZVBOZPK-GBOPCIDUSA-N 1 1 328.420 0.853 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043769412 778839731 /nfs/dbraw/zinc/83/97/31/778839731.db2.gz HJVNXXLFVXZFBJ-MRXNPFEDSA-N 1 1 349.475 0.929 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043772949 778849927 /nfs/dbraw/zinc/84/99/27/778849927.db2.gz IAEZAWQDELSPSC-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001068610979 790704692 /nfs/dbraw/zinc/70/46/92/790704692.db2.gz YXCXPQJDMAHWRA-QHSBEEBCSA-N 1 1 328.420 0.995 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1n1ccnn1 ZINC001070131937 790709796 /nfs/dbraw/zinc/70/97/96/790709796.db2.gz CGTVZOMFAYOXCA-NEPJUHHUSA-N 1 1 339.783 0.260 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001042271866 779953708 /nfs/dbraw/zinc/95/37/08/779953708.db2.gz HAHNKFCYQJXWDV-GDBMZVCRSA-N 1 1 328.416 0.823 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001078481230 779955117 /nfs/dbraw/zinc/95/51/17/779955117.db2.gz MFMQYKFIALMKRA-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21 ZINC001042282618 779980540 /nfs/dbraw/zinc/98/05/40/779980540.db2.gz FDQYSXPPWNTBRJ-HIFRSBDPSA-N 1 1 344.415 0.685 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cnccc3=O)C[C@H]21 ZINC001042292961 780008182 /nfs/dbraw/zinc/00/81/82/780008182.db2.gz ZKRBNSSABKXQGJ-JKSUJKDBSA-N 1 1 328.416 0.580 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)C[C@H]21 ZINC001042301799 780022562 /nfs/dbraw/zinc/02/25/62/780022562.db2.gz NVTJMMHBDLQPAI-LSDHHAIUSA-N 1 1 345.447 0.490 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 ZINC001042311284 780049185 /nfs/dbraw/zinc/04/91/85/780049185.db2.gz IIXXSDJFEISREQ-HUUCEWRRSA-N 1 1 348.447 0.769 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 ZINC001042333591 780088944 /nfs/dbraw/zinc/08/89/44/780088944.db2.gz PYFABUFKCWNZOZ-CABCVRRESA-N 1 1 333.436 0.389 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001042348951 780116261 /nfs/dbraw/zinc/11/62/61/780116261.db2.gz MUZQMURLADHZIA-CHWSQXEVSA-N 1 1 329.404 0.688 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001042349746 780117193 /nfs/dbraw/zinc/11/71/93/780117193.db2.gz SWELYIIJPPDYIC-STQMWFEESA-N 1 1 329.404 0.688 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001042348955 780117630 /nfs/dbraw/zinc/11/76/30/780117630.db2.gz MUZQMURLADHZIA-QWHCGFSZSA-N 1 1 329.404 0.688 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@H]21 ZINC001042363304 780147583 /nfs/dbraw/zinc/14/75/83/780147583.db2.gz QVCXNYKEKXRGGB-DZGCQCFKSA-N 1 1 326.400 0.740 20 30 ECEDMO CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159795 790786956 /nfs/dbraw/zinc/78/69/56/790786956.db2.gz RNEPBTOOYCLAMC-GLQYFDAESA-N 1 1 343.391 0.530 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](C)OC)CC1 ZINC001078852629 780560446 /nfs/dbraw/zinc/56/04/46/780560446.db2.gz GDOSBZJCXOVWTD-ZACQAIPSSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](C)OC)CC1 ZINC001078852629 780560453 /nfs/dbraw/zinc/56/04/53/780560453.db2.gz GDOSBZJCXOVWTD-ZACQAIPSSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ncn(C)n2)C1 ZINC001079134494 780798073 /nfs/dbraw/zinc/79/80/73/780798073.db2.gz BIXBVEOOKJQXMG-HZPDHXFCSA-N 1 1 341.415 0.689 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ncn(C)n2)C1 ZINC001079134494 780798077 /nfs/dbraw/zinc/79/80/77/780798077.db2.gz BIXBVEOOKJQXMG-HZPDHXFCSA-N 1 1 341.415 0.689 20 30 ECEDMO C=CCCC(=O)NCCCCC[NH+]1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001079158518 780831942 /nfs/dbraw/zinc/83/19/42/780831942.db2.gz LSYYSFFSEIGKTP-UHFFFAOYSA-N 1 1 348.451 0.815 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001042804394 780851938 /nfs/dbraw/zinc/85/19/38/780851938.db2.gz CBKOYRIOCRJERG-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001042806301 780856102 /nfs/dbraw/zinc/85/61/02/780856102.db2.gz DOCIFTRCSLNREV-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042860670 780955524 /nfs/dbraw/zinc/95/55/24/780955524.db2.gz GACXAGYBQQDBGE-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001042963717 781107065 /nfs/dbraw/zinc/10/70/65/781107065.db2.gz SWOIZQLZQTXBEQ-HOTGVXAUSA-N 1 1 345.443 0.106 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 ZINC001042964831 781109365 /nfs/dbraw/zinc/10/93/65/781109365.db2.gz NKTHEUCPOSRNDK-MRXNPFEDSA-N 1 1 347.459 0.210 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)C1 ZINC001042966155 781112221 /nfs/dbraw/zinc/11/22/21/781112221.db2.gz PEAAHPCBXSDWFH-AWEZNQCLSA-N 1 1 335.448 0.067 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042976973 781127327 /nfs/dbraw/zinc/12/73/27/781127327.db2.gz BGPBBRLOTAFOHY-IAOVAPTHSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cnn(C)c3)C2)C1=O ZINC001079482533 781166956 /nfs/dbraw/zinc/16/69/56/781166956.db2.gz CDMLYEILQLJCOT-FVQBIDKESA-N 1 1 345.447 0.186 20 30 ECEDMO CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001043012162 781178656 /nfs/dbraw/zinc/17/86/56/781178656.db2.gz WBKYMPLSMOCOIN-NMFUWQPSSA-N 1 1 344.419 0.008 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001043044271 781238025 /nfs/dbraw/zinc/23/80/25/781238025.db2.gz UYTMXHLIEBMTCV-OAHLLOKOSA-N 1 1 349.475 0.905 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001043061647 781259225 /nfs/dbraw/zinc/25/92/25/781259225.db2.gz MCECDQOHMPLSHN-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001043068430 781269644 /nfs/dbraw/zinc/26/96/44/781269644.db2.gz NIILERNOVHHPGC-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001079587393 781289092 /nfs/dbraw/zinc/28/90/92/781289092.db2.gz ZMQUMADSAZMGGV-DAXOMENPSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001079587393 781289099 /nfs/dbraw/zinc/28/90/99/781289099.db2.gz ZMQUMADSAZMGGV-DAXOMENPSA-N 1 1 343.431 0.622 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3=CCOCC3)C2)cc1 ZINC001077628574 781380113 /nfs/dbraw/zinc/38/01/13/781380113.db2.gz ISKGPXOKBQQEEJ-QZTJIDSGSA-N 1 1 341.411 0.956 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3=CCOCC3)C2)cc1 ZINC001077628574 781380115 /nfs/dbraw/zinc/38/01/15/781380115.db2.gz ISKGPXOKBQQEEJ-QZTJIDSGSA-N 1 1 341.411 0.956 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@H]2O)C1 ZINC001077641717 781410537 /nfs/dbraw/zinc/41/05/37/781410537.db2.gz DFBHQSJKRHFUAR-HZPDHXFCSA-N 1 1 332.448 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccsc2)C1 ZINC001041392269 781419507 /nfs/dbraw/zinc/41/95/07/781419507.db2.gz HQEZIHOAGVXGKF-AWEZNQCLSA-N 1 1 347.440 0.149 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccsc2)C1 ZINC001041392269 781419516 /nfs/dbraw/zinc/41/95/16/781419516.db2.gz HQEZIHOAGVXGKF-AWEZNQCLSA-N 1 1 347.440 0.149 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041422789 781475455 /nfs/dbraw/zinc/47/54/55/781475455.db2.gz QUQNMTZQFGDZLY-GUYCJALGSA-N 1 1 331.420 0.657 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C2)C1 ZINC001041437186 781513598 /nfs/dbraw/zinc/51/35/98/781513598.db2.gz LLGVYWAFVFBPIR-HNNXBMFYSA-N 1 1 339.417 0.651 20 30 ECEDMO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]1 ZINC001077692109 781524510 /nfs/dbraw/zinc/52/45/10/781524510.db2.gz IJVMKNIVMQFWEC-HZPDHXFCSA-N 1 1 339.399 0.873 20 30 ECEDMO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]1 ZINC001077692109 781524517 /nfs/dbraw/zinc/52/45/17/781524517.db2.gz IJVMKNIVMQFWEC-HZPDHXFCSA-N 1 1 339.399 0.873 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3c2O)C1 ZINC001077766875 781667627 /nfs/dbraw/zinc/66/76/27/781667627.db2.gz ZRZBBKRKSDKFAM-ZIAGYGMSSA-N 1 1 328.372 0.686 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001077792609 781705230 /nfs/dbraw/zinc/70/52/30/781705230.db2.gz QZPNCGMIFANGGA-OWCLPIDISA-N 1 1 335.448 0.515 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001077829794 781771220 /nfs/dbraw/zinc/77/12/20/781771220.db2.gz ZNGSAZXMYVVXDX-ZIAGYGMSSA-N 1 1 328.376 0.013 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001077829794 781771229 /nfs/dbraw/zinc/77/12/29/781771229.db2.gz ZNGSAZXMYVVXDX-ZIAGYGMSSA-N 1 1 328.376 0.013 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001077849658 781813910 /nfs/dbraw/zinc/81/39/10/781813910.db2.gz HNOFYSVQFXFALH-ZIAGYGMSSA-N 1 1 330.388 0.694 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2NC(C)=O)C1 ZINC001077859664 781828332 /nfs/dbraw/zinc/82/83/32/781828332.db2.gz ROIMQGSDZGDVJZ-IAGOWNOFSA-N 1 1 329.400 0.372 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2NC(C)=O)C1 ZINC001077859664 781828340 /nfs/dbraw/zinc/82/83/40/781828340.db2.gz ROIMQGSDZGDVJZ-IAGOWNOFSA-N 1 1 329.400 0.372 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC3CCCC3)c2)C1 ZINC001077905528 781913376 /nfs/dbraw/zinc/91/33/76/781913376.db2.gz UMOLENYZCHNFAA-IAGOWNOFSA-N 1 1 330.432 0.872 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCCO1 ZINC001039907844 783257258 /nfs/dbraw/zinc/25/72/58/783257258.db2.gz KGJYAKPECQVNKP-LSDHHAIUSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070209110 783661150 /nfs/dbraw/zinc/66/11/50/783661150.db2.gz MOGTWTQETQZOQS-ZACQAIPSSA-N 1 1 344.463 0.516 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070209110 783661156 /nfs/dbraw/zinc/66/11/56/783661156.db2.gz MOGTWTQETQZOQS-ZACQAIPSSA-N 1 1 344.463 0.516 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CC#Cc2ccccc2)C1 ZINC001038138971 783906995 /nfs/dbraw/zinc/90/69/95/783906995.db2.gz ZJDQJVQFAWQGEG-MSOLQXFVSA-N 1 1 327.428 0.559 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CC#Cc2ccccc2)C1 ZINC001038138971 783907003 /nfs/dbraw/zinc/90/70/03/783907003.db2.gz ZJDQJVQFAWQGEG-MSOLQXFVSA-N 1 1 327.428 0.559 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2cc(F)ccc2C#N)C1 ZINC001038138829 783907061 /nfs/dbraw/zinc/90/70/61/783907061.db2.gz YEFOLCNJHFCBPN-DLBZAZTESA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2cc(F)ccc2C#N)C1 ZINC001038138829 783907068 /nfs/dbraw/zinc/90/70/68/783907068.db2.gz YEFOLCNJHFCBPN-DLBZAZTESA-N 1 1 346.406 0.718 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnn(C)c2)C1 ZINC001070384874 783925611 /nfs/dbraw/zinc/92/56/11/783925611.db2.gz POTDMNMVYZBYJE-INIZCTEOSA-N 1 1 339.399 0.831 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnn(C)c2)C1 ZINC001070384874 783925617 /nfs/dbraw/zinc/92/56/17/783925617.db2.gz POTDMNMVYZBYJE-INIZCTEOSA-N 1 1 339.399 0.831 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCNC(=O)C2)cc1 ZINC001038162443 783935200 /nfs/dbraw/zinc/93/52/00/783935200.db2.gz VPAOKIMBRXFNOT-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCNC(=O)C2)cc1 ZINC001038162443 783935209 /nfs/dbraw/zinc/93/52/09/783935209.db2.gz VPAOKIMBRXFNOT-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CCN1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070388968 783939440 /nfs/dbraw/zinc/93/94/40/783939440.db2.gz WBXLRSHKDZIDRA-IRXDYDNUSA-N 1 1 342.443 0.736 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nccnc2N)C1 ZINC001070400651 783970631 /nfs/dbraw/zinc/97/06/31/783970631.db2.gz ARVXCICNEHNBAY-LBPRGKRZSA-N 1 1 339.403 0.525 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2C)C1 ZINC001070404541 783982462 /nfs/dbraw/zinc/98/24/62/783982462.db2.gz IMQWRYRIWJVXPK-GOEBONIOSA-N 1 1 347.463 0.722 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2C)C1 ZINC001070404543 783982756 /nfs/dbraw/zinc/98/27/56/783982756.db2.gz IMQWRYRIWJVXPK-ZBFHGGJFSA-N 1 1 347.463 0.722 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001070406394 783987293 /nfs/dbraw/zinc/98/72/93/783987293.db2.gz UAZXZSORKLDKSX-AWEZNQCLSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001070409645 783997094 /nfs/dbraw/zinc/99/70/94/783997094.db2.gz IZLJNUDSBUIFDV-DOTOQJQBSA-N 1 1 341.459 0.790 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn3c2CCC3)C1 ZINC001070411625 784002216 /nfs/dbraw/zinc/00/22/16/784002216.db2.gz UHCZNPNEQIQQSA-CYBMUJFWSA-N 1 1 338.415 0.905 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(CCF)c2)C1 ZINC001070414512 784015061 /nfs/dbraw/zinc/01/50/61/784015061.db2.gz OLOKTOQCSWEHSZ-CYBMUJFWSA-N 1 1 344.394 0.928 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001070415142 784015503 /nfs/dbraw/zinc/01/55/03/784015503.db2.gz YDLZXYBUQZPSCE-GFCCVEGCSA-N 1 1 342.403 0.889 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001070414966 784016063 /nfs/dbraw/zinc/01/60/63/784016063.db2.gz VVJQIFUPPOYKQK-KBPBESRZSA-N 1 1 345.447 0.918 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001070419761 784025743 /nfs/dbraw/zinc/02/57/43/784025743.db2.gz HXMHSUHSSGPKTC-JSGCOSHPSA-N 1 1 346.435 0.415 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cccc(=O)n2C)C1 ZINC001070422915 784036208 /nfs/dbraw/zinc/03/62/08/784036208.db2.gz LKWPLEGJWOMVBY-ZDUSSCGKSA-N 1 1 339.399 0.461 20 30 ECEDMO C=CCn1cc(C(=O)NCc2c[nH]nc2[C@H]2CC[N@@H+](CCF)C2)nn1 ZINC001070428181 784046394 /nfs/dbraw/zinc/04/63/94/784046394.db2.gz NXSGWNISWCLHRU-LBPRGKRZSA-N 1 1 347.398 0.876 20 30 ECEDMO C=CCn1cc(C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCF)C2)nn1 ZINC001070428181 784046400 /nfs/dbraw/zinc/04/64/00/784046400.db2.gz NXSGWNISWCLHRU-LBPRGKRZSA-N 1 1 347.398 0.876 20 30 ECEDMO CC#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070433799 784059519 /nfs/dbraw/zinc/05/95/19/784059519.db2.gz DRYPLDBOZUYHIE-HUUCEWRRSA-N 1 1 329.448 0.790 20 30 ECEDMO CC#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070433799 784059526 /nfs/dbraw/zinc/05/95/26/784059526.db2.gz DRYPLDBOZUYHIE-HUUCEWRRSA-N 1 1 329.448 0.790 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCO)C2)nc1 ZINC001070433040 784059771 /nfs/dbraw/zinc/05/97/71/784059771.db2.gz ZAKBGCJMSLQOSF-AWEZNQCLSA-N 1 1 339.399 0.498 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCO1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441307 784081465 /nfs/dbraw/zinc/08/14/65/784081465.db2.gz SEKSGBAKFTWILI-ZIAGYGMSSA-N 1 1 331.420 0.706 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070911781 784101669 /nfs/dbraw/zinc/10/16/69/784101669.db2.gz LEARQTACACCZIS-MCIONIFRSA-N 1 1 343.387 0.153 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070911781 784101673 /nfs/dbraw/zinc/10/16/73/784101673.db2.gz LEARQTACACCZIS-MCIONIFRSA-N 1 1 343.387 0.153 20 30 ECEDMO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2NCC#N)c1 ZINC001070506048 784202992 /nfs/dbraw/zinc/20/29/92/784202992.db2.gz VRYZNWVIBVCXEC-IMJJTQAJSA-N 1 1 330.436 0.312 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001070963272 784242321 /nfs/dbraw/zinc/24/23/21/784242321.db2.gz JZRQNDJYALVZCK-QGZVFWFLSA-N 1 1 348.491 0.533 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2ccnn2C)CC1 ZINC001070964344 784247678 /nfs/dbraw/zinc/24/76/78/784247678.db2.gz DVPNONMWYAYTSF-HNNXBMFYSA-N 1 1 347.463 0.750 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2ccnn2C)CC1 ZINC001070964344 784247687 /nfs/dbraw/zinc/24/76/87/784247687.db2.gz DVPNONMWYAYTSF-HNNXBMFYSA-N 1 1 347.463 0.750 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@]2(C)CCO[C@@H]2C)CC1 ZINC001070984126 784320296 /nfs/dbraw/zinc/32/02/96/784320296.db2.gz VGQGBCJNJNQBBK-CRAIPNDOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@]2(C)CCO[C@@H]2C)CC1 ZINC001070984126 784320298 /nfs/dbraw/zinc/32/02/98/784320298.db2.gz VGQGBCJNJNQBBK-CRAIPNDOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](C[C@H](C)O)CC2)cc1 ZINC001070985136 784325650 /nfs/dbraw/zinc/32/56/50/784325650.db2.gz HUEVXVQDEOZFPM-HNNXBMFYSA-N 1 1 343.427 0.313 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](C[C@H](C)O)CC2)cc1 ZINC001070985136 784325657 /nfs/dbraw/zinc/32/56/57/784325657.db2.gz HUEVXVQDEOZFPM-HNNXBMFYSA-N 1 1 343.427 0.313 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070993035 784346934 /nfs/dbraw/zinc/34/69/34/784346934.db2.gz JCYZTRLZEFAXFL-PBHICJAKSA-N 1 1 334.420 0.626 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070992994 784347102 /nfs/dbraw/zinc/34/71/02/784347102.db2.gz HISNHQQNBIKEFT-LSDHHAIUSA-N 1 1 332.404 0.337 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC001070996051 784355463 /nfs/dbraw/zinc/35/54/63/784355463.db2.gz GBLRYPZTVHECDA-INIZCTEOSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC001070996051 784355474 /nfs/dbraw/zinc/35/54/74/784355474.db2.gz GBLRYPZTVHECDA-INIZCTEOSA-N 1 1 325.453 0.884 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CC2=CCOCC2)CC1 ZINC001070996536 784359028 /nfs/dbraw/zinc/35/90/28/784359028.db2.gz WXZDPSVWQKADNE-UHFFFAOYSA-N 1 1 335.448 0.950 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CC2=CCOCC2)CC1 ZINC001070996536 784359036 /nfs/dbraw/zinc/35/90/36/784359036.db2.gz WXZDPSVWQKADNE-UHFFFAOYSA-N 1 1 335.448 0.950 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001070998748 784365422 /nfs/dbraw/zinc/36/54/22/784365422.db2.gz QYIXNYPQBGPBAS-INIZCTEOSA-N 1 1 336.480 0.697 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001070999871 784368194 /nfs/dbraw/zinc/36/81/94/784368194.db2.gz DENOAMCGMUWZGB-MRXNPFEDSA-N 1 1 336.480 0.697 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001071006168 784388715 /nfs/dbraw/zinc/38/87/15/784388715.db2.gz XPTAMYCMKIHXEY-KRWDZBQOSA-N 1 1 348.491 0.533 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2(C)CCOCC2)CC1 ZINC001071008335 784395515 /nfs/dbraw/zinc/39/55/15/784395515.db2.gz ULGADBKIYKTHQT-UHFFFAOYSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C2(C)CCOCC2)CC1 ZINC001071008335 784395520 /nfs/dbraw/zinc/39/55/20/784395520.db2.gz ULGADBKIYKTHQT-UHFFFAOYSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnsn2)n1 ZINC001070596036 784406547 /nfs/dbraw/zinc/40/65/47/784406547.db2.gz VWJLWIUVYIJSSO-RYUDHWBXSA-N 1 1 346.416 0.709 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc[nH]n2)n1 ZINC001070599272 784411659 /nfs/dbraw/zinc/41/16/59/784411659.db2.gz QWMRPWAFHSKVTF-STQMWFEESA-N 1 1 343.391 0.366 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NC(=O)CSCC#N)C2)C1 ZINC001071013398 784412625 /nfs/dbraw/zinc/41/26/25/784412625.db2.gz BDCYDVITYAXZAR-UONOGXRCSA-N 1 1 338.477 0.692 20 30 ECEDMO CC#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCOC2)n1 ZINC001070601326 784418444 /nfs/dbraw/zinc/41/84/44/784418444.db2.gz HHAUYDOMJCMQTR-OWCLPIDISA-N 1 1 346.431 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2ccon2)n1 ZINC001070602517 784420823 /nfs/dbraw/zinc/42/08/23/784420823.db2.gz UITCSMHZCMIAGJ-LSDHHAIUSA-N 1 1 343.387 0.775 20 30 ECEDMO C#CCC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnon2)n1 ZINC001070605716 784427077 /nfs/dbraw/zinc/42/70/77/784427077.db2.gz XXXSVQHNFOUSAE-QWHCGFSZSA-N 1 1 344.375 0.631 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001070606201 784427946 /nfs/dbraw/zinc/42/79/46/784427946.db2.gz RDQFIPWWMWOFLH-MJBXVCDLSA-N 1 1 347.419 0.376 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001071051855 784484349 /nfs/dbraw/zinc/48/43/49/784484349.db2.gz SPCFSCRKIUPSNW-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@H](C)O2 ZINC001071134504 784579624 /nfs/dbraw/zinc/57/96/24/784579624.db2.gz STXAFKOZKXYKML-MAUKXSAKSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1)C[C@H](C)O2 ZINC001071142610 784592967 /nfs/dbraw/zinc/59/29/67/784592967.db2.gz RIVXUTJBTKESEO-MAUKXSAKSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001070729531 784612425 /nfs/dbraw/zinc/61/24/25/784612425.db2.gz PHIZQGDHUCATOM-BBWFWOEESA-N 1 1 345.443 0.230 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001070729531 784612432 /nfs/dbraw/zinc/61/24/32/784612432.db2.gz PHIZQGDHUCATOM-BBWFWOEESA-N 1 1 345.443 0.230 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CN=NC1=O)C[C@H](C)O2 ZINC001071159937 784627621 /nfs/dbraw/zinc/62/76/21/784627621.db2.gz UMPHSLUYDZTZTR-BBRMVZONSA-N 1 1 335.408 0.252 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)C[C@H](C)O2 ZINC001071171291 784652987 /nfs/dbraw/zinc/65/29/87/784652987.db2.gz KRZOLEIITOWURG-SUMWQHHRSA-N 1 1 346.435 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)C[C@H](C)O2 ZINC001071171291 784652991 /nfs/dbraw/zinc/65/29/91/784652991.db2.gz KRZOLEIITOWURG-SUMWQHHRSA-N 1 1 346.435 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3[nH]cnc3c1)C[C@@H](C)O2 ZINC001071171517 784653966 /nfs/dbraw/zinc/65/39/66/784653966.db2.gz ODUYSAWSQLPQLL-FZKQIMNGSA-N 1 1 339.399 0.897 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001071175532 784664066 /nfs/dbraw/zinc/66/40/66/784664066.db2.gz FZHIUXIGLVKMAH-QAPCUYQASA-N 1 1 333.432 0.972 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3n[nH]nc3c1)C[C@H](C)O2 ZINC001071176315 784665155 /nfs/dbraw/zinc/66/51/55/784665155.db2.gz UOJBGHPOKVMKDF-SJCJKPOMSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@@H](C)O2 ZINC001071178990 784674288 /nfs/dbraw/zinc/67/42/88/784674288.db2.gz YYANXFVVMIUOCX-CXAGYDPISA-N 1 1 332.404 0.272 20 30 ECEDMO C#CCN1CC[C@@]2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C[C@@H](C)O2 ZINC001071186045 784690244 /nfs/dbraw/zinc/69/02/44/784690244.db2.gz PPGDESMAIGCLQM-SJLPKXTDSA-N 1 1 331.460 0.940 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nccn1C)C[C@@H](C)O2 ZINC001071194745 784711296 /nfs/dbraw/zinc/71/12/96/784711296.db2.gz NQCFRIWBGLSLMA-CRAIPNDOSA-N 1 1 330.432 0.678 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@@H](C)O2 ZINC001071195406 784711714 /nfs/dbraw/zinc/71/17/14/784711714.db2.gz XNQWOBRMWGOVQG-RHSMWYFYSA-N 1 1 333.436 0.718 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)C[C@@H](C)O2 ZINC001071197499 784715601 /nfs/dbraw/zinc/71/56/01/784715601.db2.gz UGRBEKRPBWNIQJ-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)C[C@@H](C)O2 ZINC001071197499 784715609 /nfs/dbraw/zinc/71/56/09/784715609.db2.gz UGRBEKRPBWNIQJ-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@H](C)O2 ZINC001071200529 784722289 /nfs/dbraw/zinc/72/22/89/784722289.db2.gz YNXRDVHKPOLTRG-KBXCAEBGSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CCC1(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CCC1 ZINC001070834639 784725084 /nfs/dbraw/zinc/72/50/84/784725084.db2.gz RDIADMUNZTZTGX-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC1(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CCC1 ZINC001070834639 784725088 /nfs/dbraw/zinc/72/50/88/784725088.db2.gz RDIADMUNZTZTGX-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001071206415 784735614 /nfs/dbraw/zinc/73/56/14/784735614.db2.gz JWHUJAKSNQGIEK-KXBFYZLASA-N 1 1 341.411 0.215 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001071206415 784735618 /nfs/dbraw/zinc/73/56/18/784735618.db2.gz JWHUJAKSNQGIEK-KXBFYZLASA-N 1 1 341.411 0.215 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@@H](C)O2 ZINC001071209328 784740771 /nfs/dbraw/zinc/74/07/71/784740771.db2.gz IDJYPUORYHBOEN-PXAZEXFGSA-N 1 1 333.388 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@H](C)O2 ZINC001071211075 784744719 /nfs/dbraw/zinc/74/47/19/784744719.db2.gz BGJVQMAPGRAVNM-KBXCAEBGSA-N 1 1 329.400 0.324 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CCO)C3)C2)nn1 ZINC001071218360 784762386 /nfs/dbraw/zinc/76/23/86/784762386.db2.gz MOYGNCRBFDWTAT-YOEHRIQHSA-N 1 1 349.435 0.152 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(COC)on1)C[C@@H](C)O2 ZINC001071219269 784765087 /nfs/dbraw/zinc/76/50/87/784765087.db2.gz UPEQNDSTZWMQRW-CXAGYDPISA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(COC)on1)C[C@@H](C)O2 ZINC001071219269 784765114 /nfs/dbraw/zinc/76/51/14/784765114.db2.gz UPEQNDSTZWMQRW-CXAGYDPISA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(CC)n1)C[C@H](C)O2 ZINC001071220760 784770199 /nfs/dbraw/zinc/77/01/99/784770199.db2.gz IZHUIZBXCFOXJU-KBXCAEBGSA-N 1 1 344.415 0.202 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cncn1C)C[C@@H](C)O2 ZINC001071226093 784784082 /nfs/dbraw/zinc/78/40/82/784784082.db2.gz UZDUMTDLHHVMSF-QAPCUYQASA-N 1 1 330.432 0.678 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@H](C)O2 ZINC001071227704 784787323 /nfs/dbraw/zinc/78/73/23/784787323.db2.gz ITGNWOFGSCHBPN-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CCCO)C3)C2)cn1 ZINC001071230922 784793701 /nfs/dbraw/zinc/79/37/01/784793701.db2.gz LHPIFECWBXQPCW-DNVCBOLYSA-N 1 1 343.427 0.751 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)C[C@@H](C)O2 ZINC001071240613 784813777 /nfs/dbraw/zinc/81/37/77/784813777.db2.gz IQCXUYWUEWZICQ-ACJLOTCBSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)C[C@@H](C)O2 ZINC001071240613 784813783 /nfs/dbraw/zinc/81/37/83/784813783.db2.gz IQCXUYWUEWZICQ-ACJLOTCBSA-N 1 1 342.399 0.119 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@@H](C)O2 ZINC001071241605 784817024 /nfs/dbraw/zinc/81/70/24/784817024.db2.gz XUSPLIGIUQAPAT-ACJLOTCBSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@@H](C)O2 ZINC001071244569 784823267 /nfs/dbraw/zinc/82/32/67/784823267.db2.gz WZVDBMJFOAYYPQ-VQIMIIECSA-N 1 1 347.459 0.714 20 30 ECEDMO C=C(C)CN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071259136 784867510 /nfs/dbraw/zinc/86/75/10/784867510.db2.gz ZHCVBPWNMOLBHI-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265505 784887378 /nfs/dbraw/zinc/88/73/78/784887378.db2.gz KPLPAVWDZAVQBG-BRWVUGGUSA-N 1 1 346.475 0.095 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccncn3)C2)C(=O)C1 ZINC001071275896 784917727 /nfs/dbraw/zinc/91/77/27/784917727.db2.gz SCGVGKUWSNBIBC-HNNXBMFYSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccncn3)C2)C(=O)C1 ZINC001071275896 784917729 /nfs/dbraw/zinc/91/77/29/784917729.db2.gz SCGVGKUWSNBIBC-HNNXBMFYSA-N 1 1 343.431 0.802 20 30 ECEDMO C#CCN1CCN([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277551 784924837 /nfs/dbraw/zinc/92/48/37/784924837.db2.gz YEROPADLYZYIBS-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001071320754 784949272 /nfs/dbraw/zinc/94/92/72/784949272.db2.gz VBNGBARFOPXBCE-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071437407 785086462 /nfs/dbraw/zinc/08/64/62/785086462.db2.gz GIYBWIGZABYKIP-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CC(=O)NC1CC1 ZINC001071437407 785086464 /nfs/dbraw/zinc/08/64/64/785086464.db2.gz GIYBWIGZABYKIP-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)CC[C@H]1C ZINC001071862040 785234836 /nfs/dbraw/zinc/23/48/36/785234836.db2.gz UUUZXWACZMXMAQ-OLZOCXBDSA-N 1 1 330.392 0.046 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001068764388 791098913 /nfs/dbraw/zinc/09/89/13/791098913.db2.gz POQYJEXBLYVOJM-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1C ZINC001071967500 785435225 /nfs/dbraw/zinc/43/52/25/785435225.db2.gz MTGZDEPTAMNLPW-OLZOCXBDSA-N 1 1 334.420 0.309 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C ZINC001071972181 785446056 /nfs/dbraw/zinc/44/60/56/785446056.db2.gz SUUNADFUHBFLLI-UONOGXRCSA-N 1 1 336.436 0.864 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071658461 785464789 /nfs/dbraw/zinc/46/47/89/785464789.db2.gz NLSHCDTVMPPZGJ-QWHCGFSZSA-N 1 1 326.466 0.546 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1C ZINC001071989058 785485224 /nfs/dbraw/zinc/48/52/24/785485224.db2.gz NKCKPCQOLCNSDF-VXGBXAGGSA-N 1 1 330.392 0.576 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC[C@H]1C ZINC001071989535 785487141 /nfs/dbraw/zinc/48/71/41/785487141.db2.gz QFFDZZPVYNZKDW-GHMZBOCLSA-N 1 1 334.376 0.502 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@H]1C ZINC001071671188 785492249 /nfs/dbraw/zinc/49/22/49/785492249.db2.gz YUSSWNMLRGBNSH-KGLIPLIRSA-N 1 1 334.420 0.658 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)N3CCC3)C2)cn1 ZINC001072002125 785509154 /nfs/dbraw/zinc/50/91/54/785509154.db2.gz IXFORJXAWHUZKH-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001072002125 785509157 /nfs/dbraw/zinc/50/91/57/785509157.db2.gz IXFORJXAWHUZKH-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@H]1C ZINC001071701540 785554243 /nfs/dbraw/zinc/55/42/43/785554243.db2.gz KRXBTEVSWSKFPH-KGLIPLIRSA-N 1 1 341.415 0.937 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@H]1C ZINC001071701540 785554248 /nfs/dbraw/zinc/55/42/48/785554248.db2.gz KRXBTEVSWSKFPH-KGLIPLIRSA-N 1 1 341.415 0.937 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C ZINC001072055469 785586332 /nfs/dbraw/zinc/58/63/32/785586332.db2.gz UZUYJHVDCZKNLV-UONOGXRCSA-N 1 1 336.436 0.816 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C ZINC001072055468 785587119 /nfs/dbraw/zinc/58/71/19/785587119.db2.gz UZUYJHVDCZKNLV-KGLIPLIRSA-N 1 1 336.436 0.816 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001072354955 786068964 /nfs/dbraw/zinc/06/89/64/786068964.db2.gz PPWJOFVVYUGCGC-UONOGXRCSA-N 1 1 325.453 0.882 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001072401245 786138475 /nfs/dbraw/zinc/13/84/75/786138475.db2.gz KPBFWPZIAGYJGY-AAEUAGOBSA-N 1 1 335.433 0.411 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cn1 ZINC001072467230 786225209 /nfs/dbraw/zinc/22/52/09/786225209.db2.gz FGASEEYQXMIDFL-WMLDXEAASA-N 1 1 342.443 0.980 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001072479192 786247274 /nfs/dbraw/zinc/24/72/74/786247274.db2.gz TXBKEMZFPBDSRM-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001072479191 786247384 /nfs/dbraw/zinc/24/73/84/786247384.db2.gz TXBKEMZFPBDSRM-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)C2 ZINC001072552140 786356649 /nfs/dbraw/zinc/35/66/49/786356649.db2.gz MOXUQIJNIDLQLG-KGLIPLIRSA-N 1 1 339.461 0.505 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001072553359 786358206 /nfs/dbraw/zinc/35/82/06/786358206.db2.gz YGBPEYLBJJAZTM-STQMWFEESA-N 1 1 325.434 0.115 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC(C)CC1)C2 ZINC001072559313 786366794 /nfs/dbraw/zinc/36/67/94/786366794.db2.gz XFGBUCHYRHZLEJ-HNNXBMFYSA-N 1 1 332.448 0.939 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)C3CCC3)C2)C1=O ZINC001073507808 786440542 /nfs/dbraw/zinc/44/05/42/786440542.db2.gz GELZGEQHMVAVTJ-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)C3CCC3)C2)C1=O ZINC001073507808 786440544 /nfs/dbraw/zinc/44/05/44/786440544.db2.gz GELZGEQHMVAVTJ-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3ccon3)C2)C1=O ZINC001073541769 786524584 /nfs/dbraw/zinc/52/45/84/786524584.db2.gz XLYKBPCGAAYWIA-ZFWWWQNUSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)c3ccon3)C2)C1=O ZINC001073541769 786524588 /nfs/dbraw/zinc/52/45/88/786524588.db2.gz XLYKBPCGAAYWIA-ZFWWWQNUSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2CC1 ZINC001074307322 786642538 /nfs/dbraw/zinc/64/25/38/786642538.db2.gz XTOMUUNLFNLUNX-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001073579132 786668926 /nfs/dbraw/zinc/66/89/26/786668926.db2.gz FTPKPGBLBMDNSW-AWEZNQCLSA-N 1 1 349.479 0.231 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 ZINC001074348981 786729231 /nfs/dbraw/zinc/72/92/31/786729231.db2.gz VIHKCRZGLQWBCA-LSDHHAIUSA-N 1 1 331.420 0.832 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001073604082 786755327 /nfs/dbraw/zinc/75/53/27/786755327.db2.gz WHPVZNUSPSYVAR-MRXNPFEDSA-N 1 1 346.431 0.689 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001073604082 786755334 /nfs/dbraw/zinc/75/53/34/786755334.db2.gz WHPVZNUSPSYVAR-MRXNPFEDSA-N 1 1 346.431 0.689 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(Br)n[nH]2)C1 ZINC001073623191 786792158 /nfs/dbraw/zinc/79/21/58/786792158.db2.gz AREHQGJXHBWVDS-JTQLQIEISA-N 1 1 341.209 0.626 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(Br)n[nH]2)C1 ZINC001073623191 786792166 /nfs/dbraw/zinc/79/21/66/786792166.db2.gz AREHQGJXHBWVDS-JTQLQIEISA-N 1 1 341.209 0.626 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001073642838 786852453 /nfs/dbraw/zinc/85/24/53/786852453.db2.gz VXXKGHXOKYGXEN-CQSZACIVSA-N 1 1 334.420 0.567 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001073649372 786872547 /nfs/dbraw/zinc/87/25/47/786872547.db2.gz UAGUVPYJXUQKTQ-LBPRGKRZSA-N 1 1 344.337 0.899 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001073649372 786872556 /nfs/dbraw/zinc/87/25/56/786872556.db2.gz UAGUVPYJXUQKTQ-LBPRGKRZSA-N 1 1 344.337 0.899 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnn2CCOC)C1 ZINC001073652414 786877888 /nfs/dbraw/zinc/87/78/88/786877888.db2.gz YWODZBRGCRKZKS-OAHLLOKOSA-N 1 1 336.436 0.926 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001073661614 786905758 /nfs/dbraw/zinc/90/57/58/786905758.db2.gz BCDRYSWNBKUTCE-AWEZNQCLSA-N 1 1 329.404 0.975 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3nccn3c2)C1 ZINC001073697485 786993176 /nfs/dbraw/zinc/99/31/76/786993176.db2.gz KLRMNQRZWDTZKP-OAHLLOKOSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001073703121 787006200 /nfs/dbraw/zinc/00/62/00/787006200.db2.gz GCCDTGWEIYXUJP-CYBMUJFWSA-N 1 1 347.415 0.962 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001073713344 787030366 /nfs/dbraw/zinc/03/03/66/787030366.db2.gz YZUPBESKBODRIG-CABCVRRESA-N 1 1 348.472 0.952 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001073713344 787030373 /nfs/dbraw/zinc/03/03/73/787030373.db2.gz YZUPBESKBODRIG-CABCVRRESA-N 1 1 348.472 0.952 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001073722205 787056027 /nfs/dbraw/zinc/05/60/27/787056027.db2.gz HCISGUCRSQWIOZ-OAHLLOKOSA-N 1 1 341.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001073722205 787056038 /nfs/dbraw/zinc/05/60/38/787056038.db2.gz HCISGUCRSQWIOZ-OAHLLOKOSA-N 1 1 341.415 0.665 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001073723356 787063094 /nfs/dbraw/zinc/06/30/94/787063094.db2.gz HQDFHDAEMUDQKG-HNNXBMFYSA-N 1 1 346.431 0.241 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001073723222 787063707 /nfs/dbraw/zinc/06/37/07/787063707.db2.gz CTPLJNBQCRYHGR-KRWDZBQOSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001073723222 787063715 /nfs/dbraw/zinc/06/37/15/787063715.db2.gz CTPLJNBQCRYHGR-KRWDZBQOSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 ZINC001073742802 787100208 /nfs/dbraw/zinc/10/02/08/787100208.db2.gz GKRDQXHUEBMVAJ-CYBMUJFWSA-N 1 1 333.388 0.151 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSCC#N)[C@H](C)C1 ZINC001073744239 787105515 /nfs/dbraw/zinc/10/55/15/787105515.db2.gz KGPTZSZDRMVWMK-ZIAGYGMSSA-N 1 1 340.493 0.938 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSCC#N)[C@H](C)C1 ZINC001073744739 787107049 /nfs/dbraw/zinc/10/70/49/787107049.db2.gz PUGXGIMLBJWXBL-ZIAGYGMSSA-N 1 1 340.493 0.937 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001073745616 787109985 /nfs/dbraw/zinc/10/99/85/787109985.db2.gz CVFBMBVNEXEPON-KBPBESRZSA-N 1 1 333.436 0.313 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001073749440 787124292 /nfs/dbraw/zinc/12/42/92/787124292.db2.gz ZGRJKHLHMLCFIN-UONOGXRCSA-N 1 1 331.420 0.455 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001073749440 787124299 /nfs/dbraw/zinc/12/42/99/787124299.db2.gz ZGRJKHLHMLCFIN-UONOGXRCSA-N 1 1 331.420 0.455 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001073749440 787124307 /nfs/dbraw/zinc/12/43/07/787124307.db2.gz ZGRJKHLHMLCFIN-UONOGXRCSA-N 1 1 331.420 0.455 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@H+]([C@@H](C)C(=O)NC)CCCO2)c1 ZINC001073763220 787152557 /nfs/dbraw/zinc/15/25/57/787152557.db2.gz YNKKSCNMFLAONH-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)CCCO2)c1 ZINC001073763220 787152559 /nfs/dbraw/zinc/15/25/59/787152559.db2.gz YNKKSCNMFLAONH-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C#CC(C)(C)C)CC1 ZINC001074518661 787155373 /nfs/dbraw/zinc/15/53/73/787155373.db2.gz PRIXJZSFCQDVNC-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nccn3ccnc23)C1 ZINC001073774224 787179643 /nfs/dbraw/zinc/17/96/43/787179643.db2.gz CJEDJEQVESQLPU-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nccn3ccnc23)C1 ZINC001073774224 787179650 /nfs/dbraw/zinc/17/96/50/787179650.db2.gz CJEDJEQVESQLPU-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001073779025 787188770 /nfs/dbraw/zinc/18/87/70/787188770.db2.gz OQHQLEFJVLLDAQ-UONOGXRCSA-N 1 1 334.424 0.019 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCOC)CCCO2)nn1 ZINC001073813012 787245711 /nfs/dbraw/zinc/24/57/11/787245711.db2.gz LOUZZBKCBYYRLR-CQSZACIVSA-N 1 1 337.424 0.321 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001073816750 787253762 /nfs/dbraw/zinc/25/37/62/787253762.db2.gz FOGMMKIKQTUJJK-HIFRSBDPSA-N 1 1 334.420 0.747 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001073818070 787257979 /nfs/dbraw/zinc/25/79/79/787257979.db2.gz BSQRXLQDBHWNFN-CQSZACIVSA-N 1 1 337.420 0.213 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001073821029 787266347 /nfs/dbraw/zinc/26/63/47/787266347.db2.gz ZCYOSAUTSCLNGU-HUUCEWRRSA-N 1 1 325.453 0.882 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 ZINC001073847623 787344901 /nfs/dbraw/zinc/34/49/01/787344901.db2.gz FQNJUHAIUYMRIM-CABCVRRESA-N 1 1 330.432 0.745 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001073847623 787344910 /nfs/dbraw/zinc/34/49/10/787344910.db2.gz FQNJUHAIUYMRIM-CABCVRRESA-N 1 1 330.432 0.745 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001073847623 787344915 /nfs/dbraw/zinc/34/49/15/787344915.db2.gz FQNJUHAIUYMRIM-CABCVRRESA-N 1 1 330.432 0.745 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001073848159 787348443 /nfs/dbraw/zinc/34/84/43/787348443.db2.gz QPTSMVUNYQMNMM-KBPBESRZSA-N 1 1 335.408 0.246 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001073856407 787372353 /nfs/dbraw/zinc/37/23/53/787372353.db2.gz FPUXMDGPGUDLGG-GOEBONIOSA-N 1 1 330.432 0.745 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074603718 787376626 /nfs/dbraw/zinc/37/66/26/787376626.db2.gz VLIBTIACEGOCRN-HZPDHXFCSA-N 1 1 349.475 0.456 20 30 ECEDMO C=C(C)CCC(=O)N1CCC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001074608921 787382924 /nfs/dbraw/zinc/38/29/24/787382924.db2.gz KQLGDIOTJQJUMA-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(=O)NC)CCCO2)cn1 ZINC001073865281 787399133 /nfs/dbraw/zinc/39/91/33/787399133.db2.gz DYXIYSPNTRWRCK-CZUORRHYSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)CCCO2)cn1 ZINC001073865281 787399142 /nfs/dbraw/zinc/39/91/42/787399142.db2.gz DYXIYSPNTRWRCK-CZUORRHYSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@H](CC)C(N)=O)CCCO2)nc1 ZINC001073865401 787399502 /nfs/dbraw/zinc/39/95/02/787399502.db2.gz IALSICQVBOTNRQ-GOEBONIOSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@H](CC)C(N)=O)CCCO2)nc1 ZINC001073865401 787399513 /nfs/dbraw/zinc/39/95/13/787399513.db2.gz IALSICQVBOTNRQ-GOEBONIOSA-N 1 1 344.415 0.148 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001073877254 787421304 /nfs/dbraw/zinc/42/13/04/787421304.db2.gz ZPYXLBOCDLSPRM-AWEZNQCLSA-N 1 1 342.403 0.277 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001073883823 787430896 /nfs/dbraw/zinc/43/08/96/787430896.db2.gz YQRVDYXFRWAJJX-OAHLLOKOSA-N 1 1 330.384 0.912 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001073883823 787430899 /nfs/dbraw/zinc/43/08/99/787430899.db2.gz YQRVDYXFRWAJJX-OAHLLOKOSA-N 1 1 330.384 0.912 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccnc2N(C)C)C1 ZINC001073889620 787445323 /nfs/dbraw/zinc/44/53/23/787445323.db2.gz VWGYNJQLLROULF-HNNXBMFYSA-N 1 1 330.432 0.992 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001073893035 787456656 /nfs/dbraw/zinc/45/66/56/787456656.db2.gz ICJNITXDHAPCQV-OAHLLOKOSA-N 1 1 330.388 0.025 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001073893298 787458030 /nfs/dbraw/zinc/45/80/30/787458030.db2.gz PPMOGXIZJDIGOF-HNNXBMFYSA-N 1 1 332.404 0.577 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001073898717 787473007 /nfs/dbraw/zinc/47/30/07/787473007.db2.gz AGMZEHHEFQMWPG-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001073898717 787473010 /nfs/dbraw/zinc/47/30/10/787473010.db2.gz AGMZEHHEFQMWPG-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001074642418 787483266 /nfs/dbraw/zinc/48/32/66/787483266.db2.gz SMIONCUSARDZHS-UHFFFAOYSA-N 1 1 346.431 0.465 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)cs2)C1 ZINC001073901927 787483609 /nfs/dbraw/zinc/48/36/09/787483609.db2.gz KJOCEBFKPYXBMX-ZDUSSCGKSA-N 1 1 335.429 0.691 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)cs2)C1 ZINC001073901927 787483616 /nfs/dbraw/zinc/48/36/16/787483616.db2.gz KJOCEBFKPYXBMX-ZDUSSCGKSA-N 1 1 335.429 0.691 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001073904994 787488905 /nfs/dbraw/zinc/48/89/05/787488905.db2.gz RUNVJCUNUIVKIQ-INIZCTEOSA-N 1 1 344.415 0.892 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001073904994 787488910 /nfs/dbraw/zinc/48/89/10/787488910.db2.gz RUNVJCUNUIVKIQ-INIZCTEOSA-N 1 1 344.415 0.892 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001073905406 787489620 /nfs/dbraw/zinc/48/96/20/787489620.db2.gz DPRZTVOYLRXRFE-AWEZNQCLSA-N 1 1 346.431 0.967 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001074646055 787492679 /nfs/dbraw/zinc/49/26/79/787492679.db2.gz JBOYFWYYQDKXCC-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC(O)(CNC(=O)C#CC3CC3)CC2)C1 ZINC001074646216 787494257 /nfs/dbraw/zinc/49/42/57/787494257.db2.gz ORKLBCWKJFPSDS-MRXNPFEDSA-N 1 1 347.459 0.211 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001073908359 787496668 /nfs/dbraw/zinc/49/66/68/787496668.db2.gz JHACSTSQWOABOM-OAHLLOKOSA-N 1 1 342.403 0.669 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001073911625 787509424 /nfs/dbraw/zinc/50/94/24/787509424.db2.gz WSYVCZMYVKJOJV-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001073911625 787509426 /nfs/dbraw/zinc/50/94/26/787509426.db2.gz WSYVCZMYVKJOJV-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nncn2C)[C@@H]1C ZINC001074656814 787522322 /nfs/dbraw/zinc/52/23/22/787522322.db2.gz AZWOMTFRXUPWBU-XGUBFFRZSA-N 1 1 333.436 0.875 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001073960326 787587010 /nfs/dbraw/zinc/58/70/10/787587010.db2.gz MQIQJPWKRNADJV-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001074723948 787697514 /nfs/dbraw/zinc/69/75/14/787697514.db2.gz QCSDEWLTPURHIR-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001074731366 787721564 /nfs/dbraw/zinc/72/15/64/787721564.db2.gz PDJZXIMKQFVLPN-JKSUJKDBSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCCCN2C(=O)c2cnon2)C1=O ZINC001074081787 787833311 /nfs/dbraw/zinc/83/33/11/787833311.db2.gz MFBGGQSWNAJVCS-UKRRQHHQSA-N 1 1 347.419 0.783 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N2CCCC2)C3)c[nH]1 ZINC001072639803 788483228 /nfs/dbraw/zinc/48/32/28/788483228.db2.gz MGKCFFMKFDLERK-UHFFFAOYSA-N 1 1 341.415 0.657 20 30 ECEDMO O=C([C@H]1COC(=O)N1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001072686076 788588665 /nfs/dbraw/zinc/58/86/65/788588665.db2.gz BSYRWRQQCRUPQB-MRXNPFEDSA-N 1 1 339.395 0.681 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001074991800 788681657 /nfs/dbraw/zinc/68/16/57/788681657.db2.gz YPHBKEIKZVUPSI-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001074992486 788682536 /nfs/dbraw/zinc/68/25/36/788682536.db2.gz FILPEKGSMQSOIX-CVEARBPZSA-N 1 1 337.464 0.862 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)c1 ZINC001072742158 788689901 /nfs/dbraw/zinc/68/99/01/788689901.db2.gz NNNPDIANJUQESJ-RHSMWYFYSA-N 1 1 342.443 0.981 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001072756361 788728703 /nfs/dbraw/zinc/72/87/03/788728703.db2.gz PJOXAOIARRVUGQ-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001075032045 788757070 /nfs/dbraw/zinc/75/70/70/788757070.db2.gz OBZHQIIEJNBMDE-JKSUJKDBSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C2)C1 ZINC001072848813 788953594 /nfs/dbraw/zinc/95/35/94/788953594.db2.gz LGLVJAOZAAQHBC-CQSZACIVSA-N 1 1 328.416 0.625 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001073029070 789304800 /nfs/dbraw/zinc/30/48/00/789304800.db2.gz KYSJKQYMXKTERL-HNNXBMFYSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073029045 789305029 /nfs/dbraw/zinc/30/50/29/789305029.db2.gz KEDAXFBPYPMEGK-GJZGRUSLSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001073038637 789321171 /nfs/dbraw/zinc/32/11/71/789321171.db2.gz MSUVWXRZAZKXMX-KBXCAEBGSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC001075408439 789333314 /nfs/dbraw/zinc/33/33/14/789333314.db2.gz GIYGUCWFGSWDJS-QAPCUYQASA-N 1 1 345.447 0.746 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)C1 ZINC001073050883 789349362 /nfs/dbraw/zinc/34/93/62/789349362.db2.gz CQZMWURHQBUJDD-IAGOWNOFSA-N 1 1 342.443 0.846 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC001073083935 789411166 /nfs/dbraw/zinc/41/11/66/789411166.db2.gz NPJYFWYMANFIGG-UHFFFAOYSA-N 1 1 328.416 0.418 20 30 ECEDMO C=CC[N@H+]1CCC2(CN(C(=O)Cn3nc4n(c3=O)CCCC4)C2)C1 ZINC001073108836 789453753 /nfs/dbraw/zinc/45/37/53/789453753.db2.gz LSLQWISETIJYON-UHFFFAOYSA-N 1 1 331.420 0.101 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)cc1 ZINC001075617420 789575884 /nfs/dbraw/zinc/57/58/84/789575884.db2.gz JONVJALUXZDAQN-GVDBMIGSSA-N 1 1 338.411 0.870 20 30 ECEDMO CCC1(NC(=O)[C@@H](C)C#N)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001069272868 789724753 /nfs/dbraw/zinc/72/47/53/789724753.db2.gz HWZCEUYYCSJIEP-KBPBESRZSA-N 1 1 336.436 0.364 20 30 ECEDMO CCC1(NC(=O)[C@@H](C)C#N)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001069272868 789724757 /nfs/dbraw/zinc/72/47/57/789724757.db2.gz HWZCEUYYCSJIEP-KBPBESRZSA-N 1 1 336.436 0.364 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001069384659 789789898 /nfs/dbraw/zinc/78/98/98/789789898.db2.gz CFDBCTYULLIUJW-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001069494955 789862686 /nfs/dbraw/zinc/86/26/86/789862686.db2.gz IDPMIXLPCDNUGC-ZIAGYGMSSA-N 1 1 339.403 0.672 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CC(Nc2cnc(C#N)cn2)C1 ZINC001069744036 790002839 /nfs/dbraw/zinc/00/28/39/790002839.db2.gz YWFWUKHPIPRWPS-UHFFFAOYSA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2=CCN(c3cnc(C#N)cn3)CC2)CC[N@H+]1C ZINC001069833764 790065581 /nfs/dbraw/zinc/06/55/81/790065581.db2.gz KFZGMFDGILVVKS-CZUORRHYSA-N 1 1 340.431 0.941 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2=CCN(c3ccnc(C#N)n3)CC2)CC[N@H+]1C ZINC001069833774 790065606 /nfs/dbraw/zinc/06/56/06/790065606.db2.gz KQAWZMNSPVFFMJ-UKRRQHHQSA-N 1 1 340.431 0.941 20 30 ECEDMO C=CCN1CCn2ncc(CNC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)c2C1 ZINC001069862038 790114955 /nfs/dbraw/zinc/11/49/55/790114955.db2.gz XFSCWRNKFOPXBG-NVXWUHKLSA-N 1 1 345.447 0.364 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 ZINC001069866562 790124937 /nfs/dbraw/zinc/12/49/37/790124937.db2.gz WKCBPGCDSRCTQC-MRXNPFEDSA-N 1 1 344.463 0.959 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)c2C1 ZINC001069869443 790128862 /nfs/dbraw/zinc/12/88/62/790128862.db2.gz MJFDKYZMZHZHOA-LSDHHAIUSA-N 1 1 345.447 0.793 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)c2C1 ZINC001069869443 790128865 /nfs/dbraw/zinc/12/88/65/790128865.db2.gz MJFDKYZMZHZHOA-LSDHHAIUSA-N 1 1 345.447 0.793 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@H]3C(N)=O)c2C1 ZINC001069869440 790128916 /nfs/dbraw/zinc/12/89/16/790128916.db2.gz MJFDKYZMZHZHOA-CABCVRRESA-N 1 1 345.447 0.793 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@H]3C(N)=O)c2C1 ZINC001069869440 790128919 /nfs/dbraw/zinc/12/89/19/790128919.db2.gz MJFDKYZMZHZHOA-CABCVRRESA-N 1 1 345.447 0.793 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001069894960 790162880 /nfs/dbraw/zinc/16/28/80/790162880.db2.gz UGGCAEMILGBZJZ-CABCVRRESA-N 1 1 346.435 0.208 20 30 ECEDMO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069911268 790180096 /nfs/dbraw/zinc/18/00/96/790180096.db2.gz GMICRLJJCIRXJO-GLQYFDAESA-N 1 1 343.391 0.168 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@@H](n2ccnn2)C1 ZINC001069937761 790211944 /nfs/dbraw/zinc/21/19/44/790211944.db2.gz MIAWFZWIPJYTLY-CVEARBPZSA-N 1 1 341.419 0.916 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccnn2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069939936 790214540 /nfs/dbraw/zinc/21/45/40/790214540.db2.gz LNSVARJGQMVOJX-ZBFHGGJFSA-N 1 1 343.435 0.972 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069939936 790214542 /nfs/dbraw/zinc/21/45/42/790214542.db2.gz LNSVARJGQMVOJX-ZBFHGGJFSA-N 1 1 343.435 0.972 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2scnc2CC)[C@@H](n2ccnn2)C1 ZINC001069943440 790220297 /nfs/dbraw/zinc/22/02/97/790220297.db2.gz SYOMPQIDJYABAO-KGLIPLIRSA-N 1 1 344.444 0.976 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2scnc2CC)[C@@H](n2ccnn2)C1 ZINC001069943440 790220301 /nfs/dbraw/zinc/22/03/01/790220301.db2.gz SYOMPQIDJYABAO-KGLIPLIRSA-N 1 1 344.444 0.976 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cncc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001069969261 790257747 /nfs/dbraw/zinc/25/77/47/790257747.db2.gz KQWIUCSPEUEBRK-SJORKVTESA-N 1 1 349.398 0.833 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001068838000 791232955 /nfs/dbraw/zinc/23/29/55/791232955.db2.gz DHXANCBVGQVESG-HZPDHXFCSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001068840561 791238430 /nfs/dbraw/zinc/23/84/30/791238430.db2.gz ZZSQEJXLPHWVRX-HNNXBMFYSA-N 1 1 347.459 0.760 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068973354 791528800 /nfs/dbraw/zinc/52/88/00/791528800.db2.gz SDPKQZOFOMKISJ-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H](C)C#N)CO2 ZINC001069007480 791583786 /nfs/dbraw/zinc/58/37/86/791583786.db2.gz GKMOMMMTCKRFLF-CHWSQXEVSA-N 1 1 336.436 0.362 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001069039575 791634823 /nfs/dbraw/zinc/63/48/23/791634823.db2.gz PDSGXPLLDXNMPL-HNNXBMFYSA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3nccnc3C#N)C2)C1 ZINC001066675699 791968712 /nfs/dbraw/zinc/96/87/12/791968712.db2.gz QLYNWBLIQYJHCS-ZIAGYGMSSA-N 1 1 344.419 0.329 20 30 ECEDMO Cc1nsc(NCC2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001067838300 792350203 /nfs/dbraw/zinc/35/02/03/792350203.db2.gz BRDNRBQRJGDWEI-YIZWMMSDSA-N 1 1 349.460 0.961 20 30 ECEDMO Cc1nsc(NCC2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001067838300 792350215 /nfs/dbraw/zinc/35/02/15/792350215.db2.gz BRDNRBQRJGDWEI-YIZWMMSDSA-N 1 1 349.460 0.961 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC[C@@H]1C ZINC001067981009 792538554 /nfs/dbraw/zinc/53/85/54/792538554.db2.gz VBJOKAJUGDLUNG-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001067011374 792576953 /nfs/dbraw/zinc/57/69/53/792576953.db2.gz NSNIPGSOOCBNCT-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(c2nccnc2C#N)CC1(C)C ZINC001068098776 792667846 /nfs/dbraw/zinc/66/78/46/792667846.db2.gz JHMSMARRHAVABG-KGLIPLIRSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC1(C)C ZINC001068099516 792669381 /nfs/dbraw/zinc/66/93/81/792669381.db2.gz UZJYGIBQNVUFEQ-ZIAGYGMSSA-N 1 1 328.420 0.773 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC1(C)C ZINC001068127077 792717194 /nfs/dbraw/zinc/71/71/94/792717194.db2.gz SPYQKJASKYVBFU-AWEZNQCLSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccn2)CC1(C)C ZINC001068143793 792739906 /nfs/dbraw/zinc/73/99/06/792739906.db2.gz DHZMRRLNDRJAGY-LSDHHAIUSA-N 1 1 327.432 0.905 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccn2)CC1(C)C ZINC001068143793 792739911 /nfs/dbraw/zinc/73/99/11/792739911.db2.gz DHZMRRLNDRJAGY-LSDHHAIUSA-N 1 1 327.432 0.905 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cncnc1 ZINC001067253268 792892328 /nfs/dbraw/zinc/89/23/28/792892328.db2.gz JMXMRZXFZNLXEJ-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cncnc1 ZINC001067253268 792892345 /nfs/dbraw/zinc/89/23/45/792892345.db2.gz JMXMRZXFZNLXEJ-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001067292653 792945712 /nfs/dbraw/zinc/94/57/12/792945712.db2.gz SYZKTGYNRRLANI-MAUKXSAKSA-N 1 1 339.480 0.962 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001067292569 792945955 /nfs/dbraw/zinc/94/59/55/792945955.db2.gz RCHSZHHIJYMFBU-CRAIPNDOSA-N 1 1 339.480 0.962 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001068348416 793097500 /nfs/dbraw/zinc/09/75/00/793097500.db2.gz ROONXHLSIZXCAH-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001068420287 793278545 /nfs/dbraw/zinc/27/85/45/793278545.db2.gz LGQSSEANKOASPH-UHFFFAOYSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccncc2)C1 ZINC001267501517 837576638 /nfs/dbraw/zinc/57/66/38/837576638.db2.gz LZUSDZGYJWQOKD-CABCVRRESA-N 1 1 328.416 0.661 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)CCc2ccco2)C1 ZINC001267501123 837577198 /nfs/dbraw/zinc/57/71/98/837577198.db2.gz KITCKTXIYJJVFW-HNNXBMFYSA-N 1 1 331.416 0.790 20 30 ECEDMO COCC#CC[N@@H+](CCCNC(=O)[C@@H]1CCc2nncn2C1)C(C)C ZINC001267512622 837605623 /nfs/dbraw/zinc/60/56/23/837605623.db2.gz PFOSMWCUYCQOCM-MRXNPFEDSA-N 1 1 347.463 0.707 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](CNC(=O)c1cn[nH]c1)c1ccccc1 ZINC001267517253 837611143 /nfs/dbraw/zinc/61/11/43/837611143.db2.gz NQDYGCSAVHSNMX-HNNXBMFYSA-N 1 1 327.388 0.773 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1n[nH]cc1F)c1ccccc1 ZINC001267522790 837676503 /nfs/dbraw/zinc/67/65/03/837676503.db2.gz LQQXOEFQXUKJLK-ZDUSSCGKSA-N 1 1 344.350 0.249 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CCNC(=O)c3ncc[nH]3)C2)C1=O ZINC001267523752 837682598 /nfs/dbraw/zinc/68/25/98/837682598.db2.gz LXFKXFPZHIKQDI-KBPBESRZSA-N 1 1 331.420 0.638 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ncnn2CC)C1 ZINC001267523725 837682675 /nfs/dbraw/zinc/68/26/75/837682675.db2.gz LPEFAPOZLQXLSF-RHSMWYFYSA-N 1 1 335.452 0.953 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ncnn2CC)C1 ZINC001267523725 837682683 /nfs/dbraw/zinc/68/26/83/837682683.db2.gz LPEFAPOZLQXLSF-RHSMWYFYSA-N 1 1 335.452 0.953 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001267530763 837704357 /nfs/dbraw/zinc/70/43/57/837704357.db2.gz ZPZPJDGDRNDYDZ-TWMKSMIVSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccsn2)C1 ZINC001267536234 837715896 /nfs/dbraw/zinc/71/58/96/837715896.db2.gz PCPXAVQLCJNWIE-CHWSQXEVSA-N 1 1 334.445 0.723 20 30 ECEDMO C=CCOCC(=O)N(CCC)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267538944 837721335 /nfs/dbraw/zinc/72/13/35/837721335.db2.gz QOEXNDJTFZDKHQ-UONOGXRCSA-N 1 1 337.420 0.307 20 30 ECEDMO C=CCOCC(=O)N(CCC)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267538944 837721345 /nfs/dbraw/zinc/72/13/45/837721345.db2.gz QOEXNDJTFZDKHQ-UONOGXRCSA-N 1 1 337.420 0.307 20 30 ECEDMO CCCN(C(=O)Cc1nnc(C)o1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267538858 837721800 /nfs/dbraw/zinc/72/18/00/837721800.db2.gz DGFSAOVXWQNHNZ-HNNXBMFYSA-N 1 1 334.420 0.883 20 30 ECEDMO CCCN(C(=O)Cc1nnc(C)o1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267538858 837721806 /nfs/dbraw/zinc/72/18/06/837721806.db2.gz DGFSAOVXWQNHNZ-HNNXBMFYSA-N 1 1 334.420 0.883 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CCC)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267541381 837727713 /nfs/dbraw/zinc/72/77/13/837727713.db2.gz ZTOUEKDELDIYNK-YJBOKZPZSA-N 1 1 337.464 0.905 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001267541381 837727716 /nfs/dbraw/zinc/72/77/16/837727716.db2.gz ZTOUEKDELDIYNK-YJBOKZPZSA-N 1 1 337.464 0.905 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cncn2)C1 ZINC001267548666 837746455 /nfs/dbraw/zinc/74/64/55/837746455.db2.gz KLKYLVMVICHVBB-CABCVRRESA-N 1 1 348.451 0.282 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)Cn2cncn2)C1 ZINC001267548666 837746462 /nfs/dbraw/zinc/74/64/62/837746462.db2.gz KLKYLVMVICHVBB-CABCVRRESA-N 1 1 348.451 0.282 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2c(C)noc2C)C1 ZINC001267551571 837752751 /nfs/dbraw/zinc/75/27/51/837752751.db2.gz PDPVTHJIKQSLDN-CQSZACIVSA-N 1 1 332.404 0.483 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cc(C)ncn2)C1 ZINC001267554170 837759175 /nfs/dbraw/zinc/75/91/75/837759175.db2.gz QRLDODAJJWKSRW-CABCVRRESA-N 1 1 345.447 0.918 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC001267555511 837762326 /nfs/dbraw/zinc/76/23/26/837762326.db2.gz HCJUEYZLCQIUED-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267556310 837763506 /nfs/dbraw/zinc/76/35/06/837763506.db2.gz OZZVFGAQGHKOKQ-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001267559874 837768790 /nfs/dbraw/zinc/76/87/90/837768790.db2.gz FMUFGVJQLOWRTQ-CYBMUJFWSA-N 1 1 345.447 0.642 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001267560521 837771391 /nfs/dbraw/zinc/77/13/91/837771391.db2.gz KNPRASHSZRZCSV-FCEWJHQRSA-N 1 1 347.459 0.523 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCC[C@@H]2CCN(CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001267560567 837773595 /nfs/dbraw/zinc/77/35/95/837773595.db2.gz AYZYPBBKKRRJCM-XHSDSOJGSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCC[C@@H]2CCN(CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001267560567 837773599 /nfs/dbraw/zinc/77/35/99/837773599.db2.gz AYZYPBBKKRRJCM-XHSDSOJGSA-N 1 1 349.479 0.185 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2[nH]c(C)nc2C)C1 ZINC001267565165 837780121 /nfs/dbraw/zinc/78/01/21/837780121.db2.gz KCSAPVYPDRBDOK-ZFWWWQNUSA-N 1 1 345.447 0.606 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)C(C)(C)CNC(C)=O)CC1 ZINC001267575978 837827520 /nfs/dbraw/zinc/82/75/20/837827520.db2.gz PMNQDNDGHMBMGW-UHFFFAOYSA-N 1 1 336.480 0.248 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)CC)C1 ZINC001266246965 835552434 /nfs/dbraw/zinc/55/24/34/835552434.db2.gz ZFHJBKNWHYNICL-AWEZNQCLSA-N 1 1 331.482 0.815 20 30 ECEDMO CCOCCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001266251489 835556610 /nfs/dbraw/zinc/55/66/10/835556610.db2.gz DGEXKQCCVGYNQK-HZPDHXFCSA-N 1 1 326.437 0.658 20 30 ECEDMO CCOCCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001266251489 835556617 /nfs/dbraw/zinc/55/66/17/835556617.db2.gz DGEXKQCCVGYNQK-HZPDHXFCSA-N 1 1 326.437 0.658 20 30 ECEDMO CO[C@@H](C)CN1CC[NH+](CCCNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001266260230 835569907 /nfs/dbraw/zinc/56/99/07/835569907.db2.gz QCUQFXAVCQTOIS-AWEZNQCLSA-N 1 1 333.436 0.659 20 30 ECEDMO C=CCN1CC[C@@H](N2CC[NH+](CCCNC(=O)[C@H]3C[C@@H]3C)CC2)C1=O ZINC001266269280 835587853 /nfs/dbraw/zinc/58/78/53/835587853.db2.gz DAJPMGQWHOTLKY-YESZJQIVSA-N 1 1 348.491 0.553 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)CCn1c(C)csc1=O ZINC001266271601 835592605 /nfs/dbraw/zinc/59/26/05/835592605.db2.gz KXOFSOZEAQVYBM-OAHLLOKOSA-N 1 1 327.450 0.593 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)Cc2ncccc2OC)CC1 ZINC001266272088 835594339 /nfs/dbraw/zinc/59/43/39/835594339.db2.gz XJBCDRGTEUTXDX-UHFFFAOYSA-N 1 1 344.459 0.780 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccncc1C ZINC001266272913 835595511 /nfs/dbraw/zinc/59/55/11/835595511.db2.gz GFPYCAYNSLFMCI-ZDUSSCGKSA-N 1 1 347.419 0.452 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccncc1C ZINC001266272913 835595515 /nfs/dbraw/zinc/59/55/15/835595515.db2.gz GFPYCAYNSLFMCI-ZDUSSCGKSA-N 1 1 347.419 0.452 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001266275232 835598682 /nfs/dbraw/zinc/59/86/82/835598682.db2.gz RBAUQZGCANTLET-OLZOCXBDSA-N 1 1 331.420 0.016 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001266275232 835598687 /nfs/dbraw/zinc/59/86/87/835598687.db2.gz RBAUQZGCANTLET-OLZOCXBDSA-N 1 1 331.420 0.016 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)c2cccc(NC(N)=O)c2)CC1 ZINC001266277474 835602948 /nfs/dbraw/zinc/60/29/48/835602948.db2.gz BVFVLYIDWJIFIY-UHFFFAOYSA-N 1 1 344.419 0.438 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnc2n1CCCCC2 ZINC001266288318 835631353 /nfs/dbraw/zinc/63/13/53/835631353.db2.gz FINFJKJWFLRRRE-CQSZACIVSA-N 1 1 347.463 0.962 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnc2n1CCCCC2 ZINC001266288318 835631356 /nfs/dbraw/zinc/63/13/56/835631356.db2.gz FINFJKJWFLRRRE-CQSZACIVSA-N 1 1 347.463 0.962 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1c(C)cc(=O)oc1C ZINC001266295418 835642764 /nfs/dbraw/zinc/64/27/64/835642764.db2.gz JGQXJIRKWIUHBJ-LBPRGKRZSA-N 1 1 335.404 0.609 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1c(C)cc(=O)oc1C ZINC001266295418 835642766 /nfs/dbraw/zinc/64/27/66/835642766.db2.gz JGQXJIRKWIUHBJ-LBPRGKRZSA-N 1 1 335.404 0.609 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc2ccccc2nn1 ZINC001266306215 835670106 /nfs/dbraw/zinc/67/01/06/835670106.db2.gz HUJDHABTNJVCOC-ZDUSSCGKSA-N 1 1 339.399 0.429 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc2ccccc2nn1 ZINC001266306215 835670110 /nfs/dbraw/zinc/67/01/10/835670110.db2.gz HUJDHABTNJVCOC-ZDUSSCGKSA-N 1 1 339.399 0.429 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266308597 835674622 /nfs/dbraw/zinc/67/46/22/835674622.db2.gz YLXFBRTYFISKRD-HZPDHXFCSA-N 1 1 334.464 0.472 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccnc(OC)c2)C1 ZINC001266328026 835708990 /nfs/dbraw/zinc/70/89/90/835708990.db2.gz RAEFXJWARLLEME-OCCSQVGLSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccnc(OC)c2)C1 ZINC001266328026 835708997 /nfs/dbraw/zinc/70/89/97/835708997.db2.gz RAEFXJWARLLEME-OCCSQVGLSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001266333666 835716491 /nfs/dbraw/zinc/71/64/91/835716491.db2.gz RQCOTZKXZWAOGI-CABCVRRESA-N 1 1 347.463 0.461 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001266333666 835716493 /nfs/dbraw/zinc/71/64/93/835716493.db2.gz RQCOTZKXZWAOGI-CABCVRRESA-N 1 1 347.463 0.461 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CCn3ccnc3)C2)C1=O ZINC001266333587 835716500 /nfs/dbraw/zinc/71/65/00/835716500.db2.gz QDPDZJUDLZNFGP-LSDHHAIUSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CCn3ccnc3)C2)C1=O ZINC001266333587 835716505 /nfs/dbraw/zinc/71/65/05/835716505.db2.gz QDPDZJUDLZNFGP-LSDHHAIUSA-N 1 1 331.420 0.251 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001266344091 835731835 /nfs/dbraw/zinc/73/18/35/835731835.db2.gz CPCXWNMRDLTCRQ-RDJZCZTQSA-N 1 1 345.447 0.946 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001266344091 835731846 /nfs/dbraw/zinc/73/18/46/835731846.db2.gz CPCXWNMRDLTCRQ-RDJZCZTQSA-N 1 1 345.447 0.946 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)C2CCCCC2)C1 ZINC001266346655 835736793 /nfs/dbraw/zinc/73/67/93/835736793.db2.gz FRYHZWGTXYKRKF-KRWDZBQOSA-N 1 1 349.475 0.913 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)CCNC(=O)C2CCCCC2)C1 ZINC001266346655 835736799 /nfs/dbraw/zinc/73/67/99/835736799.db2.gz FRYHZWGTXYKRKF-KRWDZBQOSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CCNC(=O)CN1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266376548 835788277 /nfs/dbraw/zinc/78/82/77/835788277.db2.gz DUPDPQHDFIUICM-OAHLLOKOSA-N 1 1 346.475 0.048 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001266390661 835799921 /nfs/dbraw/zinc/79/99/21/835799921.db2.gz GXYCHPXOMSXHPT-GOEBONIOSA-N 1 1 335.448 0.522 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001266390661 835799936 /nfs/dbraw/zinc/79/99/36/835799936.db2.gz GXYCHPXOMSXHPT-GOEBONIOSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001266403136 835810620 /nfs/dbraw/zinc/81/06/20/835810620.db2.gz FMDOJFPWPUELKW-FXUDXRNXSA-N 1 1 337.464 0.930 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001266403136 835810626 /nfs/dbraw/zinc/81/06/26/835810626.db2.gz FMDOJFPWPUELKW-FXUDXRNXSA-N 1 1 337.464 0.930 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ccc(C)nc1C1CC1)CC(=O)NCC#N ZINC001266406029 835812612 /nfs/dbraw/zinc/81/26/12/835812612.db2.gz QSAQLZRFYDRQHB-UHFFFAOYSA-N 1 1 343.431 0.959 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ccc(C)nc1C1CC1)CC(=O)NCC#N ZINC001266406029 835812620 /nfs/dbraw/zinc/81/26/20/835812620.db2.gz QSAQLZRFYDRQHB-UHFFFAOYSA-N 1 1 343.431 0.959 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1ccc2nccnc2c1 ZINC001266434751 835839288 /nfs/dbraw/zinc/83/92/88/835839288.db2.gz MOFNBOJBTRWSAB-UHFFFAOYSA-N 1 1 341.415 0.984 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ccc2nccnc2c1 ZINC001266434751 835839293 /nfs/dbraw/zinc/83/92/93/835839293.db2.gz MOFNBOJBTRWSAB-UHFFFAOYSA-N 1 1 341.415 0.984 20 30 ECEDMO C=C(Br)C[N@H+](C)C[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001266452577 835854435 /nfs/dbraw/zinc/85/44/35/835854435.db2.gz POQCTUOXVDSHJX-LLVKDONJSA-N 1 1 332.242 0.941 20 30 ECEDMO C=C(Br)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001266452577 835854450 /nfs/dbraw/zinc/85/44/50/835854450.db2.gz POQCTUOXVDSHJX-LLVKDONJSA-N 1 1 332.242 0.941 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001266463951 835865038 /nfs/dbraw/zinc/86/50/38/835865038.db2.gz SGGGNXPHTVIEDP-HNNXBMFYSA-N 1 1 333.436 0.166 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2ccnc2C)C1 ZINC001266473146 835876237 /nfs/dbraw/zinc/87/62/37/835876237.db2.gz WTLAKZDFCLLPOU-INIZCTEOSA-N 1 1 347.463 0.664 20 30 ECEDMO CC#CCCCC(=O)NC[C@H]1CCC[N@@H+]1CCN(C)S(C)(=O)=O ZINC001266477119 835879191 /nfs/dbraw/zinc/87/91/91/835879191.db2.gz JFBKLNLCAXBMMJ-OAHLLOKOSA-N 1 1 343.493 0.652 20 30 ECEDMO CC#CCCCC(=O)NC[C@H]1CCC[N@H+]1CCN(C)S(C)(=O)=O ZINC001266477119 835879198 /nfs/dbraw/zinc/87/91/98/835879198.db2.gz JFBKLNLCAXBMMJ-OAHLLOKOSA-N 1 1 343.493 0.652 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(=O)n1C ZINC001266483253 835882465 /nfs/dbraw/zinc/88/24/65/835882465.db2.gz RINDWHAGOPVOOE-KGLIPLIRSA-N 1 1 346.431 0.270 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cccc(=O)n1C ZINC001266483253 835882468 /nfs/dbraw/zinc/88/24/68/835882468.db2.gz RINDWHAGOPVOOE-KGLIPLIRSA-N 1 1 346.431 0.270 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001266482954 835883393 /nfs/dbraw/zinc/88/33/93/835883393.db2.gz LGTVUGPQTSIMDK-QWHCGFSZSA-N 1 1 336.436 0.767 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001266482954 835883397 /nfs/dbraw/zinc/88/33/97/835883397.db2.gz LGTVUGPQTSIMDK-QWHCGFSZSA-N 1 1 336.436 0.767 20 30 ECEDMO COCCOC[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001266483860 835883881 /nfs/dbraw/zinc/88/38/81/835883881.db2.gz HQDQQWSIJCQZLT-BBWFWOEESA-N 1 1 336.432 0.099 20 30 ECEDMO COCCOC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001266483860 835883886 /nfs/dbraw/zinc/88/38/86/835883886.db2.gz HQDQQWSIJCQZLT-BBWFWOEESA-N 1 1 336.432 0.099 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CCC)nn1 ZINC001266487093 835887555 /nfs/dbraw/zinc/88/75/55/835887555.db2.gz TWCJBLJUYNJSLL-UONOGXRCSA-N 1 1 346.435 0.020 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CCC)nn1 ZINC001266487093 835887565 /nfs/dbraw/zinc/88/75/65/835887565.db2.gz TWCJBLJUYNJSLL-UONOGXRCSA-N 1 1 346.435 0.020 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001266489015 835889500 /nfs/dbraw/zinc/88/95/00/835889500.db2.gz VFXPUNIKPZGSLH-ZDUSSCGKSA-N 1 1 331.420 0.784 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001266489015 835889503 /nfs/dbraw/zinc/88/95/03/835889503.db2.gz VFXPUNIKPZGSLH-ZDUSSCGKSA-N 1 1 331.420 0.784 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C[C@H](C)OC)C2)CC1 ZINC001266502004 835903209 /nfs/dbraw/zinc/90/32/09/835903209.db2.gz RVHFBMHEFDLKQN-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO O=C(C#CC1CC1)NC[C@@H]1CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001266511130 835918533 /nfs/dbraw/zinc/91/85/33/835918533.db2.gz JTJTVYBLHZMLEF-HOTGVXAUSA-N 1 1 338.473 0.663 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001266513603 835923517 /nfs/dbraw/zinc/92/35/17/835923517.db2.gz DANFPOQGWLAOMB-CVEARBPZSA-N 1 1 349.475 0.912 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCc2ccccn2)C1 ZINC001266525506 835940730 /nfs/dbraw/zinc/94/07/30/835940730.db2.gz JELGUASPVCCVAF-CQSZACIVSA-N 1 1 329.404 0.092 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCc2ccccn2)C1 ZINC001266525506 835940739 /nfs/dbraw/zinc/94/07/39/835940739.db2.gz JELGUASPVCCVAF-CQSZACIVSA-N 1 1 329.404 0.092 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001266534212 835952359 /nfs/dbraw/zinc/95/23/59/835952359.db2.gz XETOAVHDXNNFBN-FZMZJTMJSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001266534212 835952363 /nfs/dbraw/zinc/95/23/63/835952363.db2.gz XETOAVHDXNNFBN-FZMZJTMJSA-N 1 1 344.253 0.859 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2Cc3ccccc3C2)C1 ZINC001266537659 835956597 /nfs/dbraw/zinc/95/65/97/835956597.db2.gz PWBLFHRTHXGLSK-HNNXBMFYSA-N 1 1 339.439 0.589 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ncccc2OC)C1 ZINC001266546896 835969016 /nfs/dbraw/zinc/96/90/16/835969016.db2.gz ZCZSSBCHZUTSIM-KBPBESRZSA-N 1 1 346.431 0.833 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)c1cc(C)ncn1 ZINC001266559014 835986672 /nfs/dbraw/zinc/98/66/72/835986672.db2.gz XNQKAFBJHWPUKI-CQSZACIVSA-N 1 1 331.420 0.365 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCC)Cc1cnns1 ZINC001266562404 835991185 /nfs/dbraw/zinc/99/11/85/835991185.db2.gz ABAPQOKVFHSECF-HNNXBMFYSA-N 1 1 335.477 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCC)Cc1cnns1 ZINC001266562404 835991192 /nfs/dbraw/zinc/99/11/92/835991192.db2.gz ABAPQOKVFHSECF-HNNXBMFYSA-N 1 1 335.477 0.964 20 30 ECEDMO C=CCNC(=O)CN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001266614305 836048048 /nfs/dbraw/zinc/04/80/48/836048048.db2.gz ZXKVVJKYKWYXTL-IRXDYDNUSA-N 1 1 348.491 0.886 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NCC)cn1 ZINC001266653516 836089104 /nfs/dbraw/zinc/08/91/04/836089104.db2.gz KPUCGSKUQHPJHV-ALOPSCKCSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nonc2C)C1 ZINC001266663566 836100751 /nfs/dbraw/zinc/10/07/51/836100751.db2.gz OSVKLPRVGWODCS-KGLIPLIRSA-N 1 1 345.403 0.054 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccncc2F)C1 ZINC001266743377 836225907 /nfs/dbraw/zinc/22/59/07/836225907.db2.gz NLJZQYDLYNYFFS-UONOGXRCSA-N 1 1 346.406 0.800 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001266746776 836232410 /nfs/dbraw/zinc/23/24/10/836232410.db2.gz JBYXFAPLMIBVIU-AWEZNQCLSA-N 1 1 338.452 0.115 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccsn2)C1 ZINC001266751156 836243305 /nfs/dbraw/zinc/24/33/05/836243305.db2.gz CIDKXOJYNBETRY-CHWSQXEVSA-N 1 1 334.445 0.723 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ncccn2)C1 ZINC001266763344 836266364 /nfs/dbraw/zinc/26/63/64/836266364.db2.gz CICLBIMAYHHJNH-KBPBESRZSA-N 1 1 329.404 0.056 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NCC)C2)nn1 ZINC001266764206 836268312 /nfs/dbraw/zinc/26/83/12/836268312.db2.gz MMUUPFKHTUBUKR-CYBMUJFWSA-N 1 1 334.424 0.042 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001266841875 836367667 /nfs/dbraw/zinc/36/76/67/836367667.db2.gz DKIGPOKDUWYXJJ-NVXWUHKLSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001266841875 836367677 /nfs/dbraw/zinc/36/76/77/836367677.db2.gz DKIGPOKDUWYXJJ-NVXWUHKLSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)c1ccncc1 ZINC001266842960 836369774 /nfs/dbraw/zinc/36/97/74/836369774.db2.gz XZBRYMHKKRJYMW-MRXNPFEDSA-N 1 1 328.416 0.805 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001266858397 836395012 /nfs/dbraw/zinc/39/50/12/836395012.db2.gz SXNRDNZCBKSLLG-CYBMUJFWSA-N 1 1 344.419 0.549 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn2cc[nH]c12 ZINC001266858397 836395022 /nfs/dbraw/zinc/39/50/22/836395022.db2.gz SXNRDNZCBKSLLG-CYBMUJFWSA-N 1 1 344.419 0.549 20 30 ECEDMO C=CCn1cc(C(=O)N(C)CC[NH2+]Cc2nnc(C(C)C)[nH]2)nn1 ZINC001266861548 836400960 /nfs/dbraw/zinc/40/09/60/836400960.db2.gz AZFUNYGEVHGPAV-UHFFFAOYSA-N 1 1 332.412 0.567 20 30 ECEDMO C[C@H](NC(=O)CCC(F)F)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266890074 836438807 /nfs/dbraw/zinc/43/88/07/836438807.db2.gz ILOAVFJFXJOXSP-NWDGAFQWSA-N 1 1 330.379 0.888 20 30 ECEDMO C[C@H](NC(=O)CCC(F)F)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266890074 836438811 /nfs/dbraw/zinc/43/88/11/836438811.db2.gz ILOAVFJFXJOXSP-NWDGAFQWSA-N 1 1 330.379 0.888 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(F)nc1)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266894387 836445263 /nfs/dbraw/zinc/44/52/63/836445263.db2.gz VCERJSDJGAGECT-OCCSQVGLSA-N 1 1 347.394 0.691 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(F)nc1)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266894387 836445266 /nfs/dbraw/zinc/44/52/66/836445266.db2.gz VCERJSDJGAGECT-OCCSQVGLSA-N 1 1 347.394 0.691 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ncccc2C)C1 ZINC001266895237 836446263 /nfs/dbraw/zinc/44/62/63/836446263.db2.gz ZJQMKDPCLGZYMO-HZPDHXFCSA-N 1 1 342.443 0.970 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001266900847 836454073 /nfs/dbraw/zinc/45/40/73/836454073.db2.gz LDXRWZJYHOKXSC-QHNLCMDKSA-N 1 1 347.459 0.513 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCOC1 ZINC001266905029 836463057 /nfs/dbraw/zinc/46/30/57/836463057.db2.gz YLCIPMIYOVDEJI-NBFUAULTSA-N 1 1 335.448 0.540 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nccn2C)C1 ZINC001267026047 836646053 /nfs/dbraw/zinc/64/60/53/836646053.db2.gz CIRGNSCBFMPUBM-ZDUSSCGKSA-N 1 1 348.451 0.374 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CS(=O)(=O)CCOC ZINC001279567278 836734130 /nfs/dbraw/zinc/73/41/30/836734130.db2.gz XMKQGIZTOJQAAJ-CABCVRRESA-N 1 1 344.477 0.689 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)noc2C)C1 ZINC001267101036 836772479 /nfs/dbraw/zinc/77/24/79/836772479.db2.gz OYTOAGWSWPDALF-UKRRQHHQSA-N 1 1 346.431 0.966 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CSC(C)C)C1 ZINC001267101655 836773789 /nfs/dbraw/zinc/77/37/89/836773789.db2.gz WRCNWOVHQCYOCM-CQSZACIVSA-N 1 1 325.478 0.800 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CSC(C)C)C1 ZINC001267101655 836773796 /nfs/dbraw/zinc/77/37/96/836773796.db2.gz WRCNWOVHQCYOCM-CQSZACIVSA-N 1 1 325.478 0.800 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]([N@@H+](C)CCCN2CCCC2=O)C1 ZINC001267104398 836781105 /nfs/dbraw/zinc/78/11/05/836781105.db2.gz BEXUMPSQKIZRQW-QGZVFWFLSA-N 1 1 349.475 0.962 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2nnc(C)o2)C1 ZINC001267106027 836786134 /nfs/dbraw/zinc/78/61/34/836786134.db2.gz NZIIEQCSEWAVRJ-TZMCWYRMSA-N 1 1 349.435 0.534 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)C(F)(F)F ZINC001267108724 836792432 /nfs/dbraw/zinc/79/24/32/836792432.db2.gz QFZGFLOZUWDORK-GHMZBOCLSA-N 1 1 334.342 0.747 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)C(F)(F)F ZINC001267108724 836792439 /nfs/dbraw/zinc/79/24/39/836792439.db2.gz QFZGFLOZUWDORK-GHMZBOCLSA-N 1 1 334.342 0.747 20 30 ECEDMO Cc1c(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NCC#N)C2)ccn1C ZINC001267112512 836800219 /nfs/dbraw/zinc/80/02/19/836800219.db2.gz ZRQUKVWVNBBQAR-AWEZNQCLSA-N 1 1 331.420 0.510 20 30 ECEDMO Cc1c(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)ccn1C ZINC001267112512 836800227 /nfs/dbraw/zinc/80/02/27/836800227.db2.gz ZRQUKVWVNBBQAR-AWEZNQCLSA-N 1 1 331.420 0.510 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001267112827 836803185 /nfs/dbraw/zinc/80/31/85/836803185.db2.gz YAWLZAHRGIDUBL-KGLIPLIRSA-N 1 1 331.420 0.392 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CN(C)S(C)(=O)=O ZINC001267167395 836890186 /nfs/dbraw/zinc/89/01/86/836890186.db2.gz FCVIYGPJSQIHHF-CQSZACIVSA-N 1 1 329.466 0.262 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CCNC1=O ZINC001267169446 836897207 /nfs/dbraw/zinc/89/72/07/836897207.db2.gz PFMLAKBQXCVUJJ-HZPDHXFCSA-N 1 1 335.448 0.523 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001267175844 836916705 /nfs/dbraw/zinc/91/67/05/836916705.db2.gz ZPSHODOGDMOFFL-CYBMUJFWSA-N 1 1 349.435 0.402 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)C1=NC(=O)N(C)C1 ZINC001267175844 836916714 /nfs/dbraw/zinc/91/67/14/836916714.db2.gz ZPSHODOGDMOFFL-CYBMUJFWSA-N 1 1 349.435 0.402 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)C1=NC(=O)N(C)C1 ZINC001267175844 836916723 /nfs/dbraw/zinc/91/67/23/836916723.db2.gz ZPSHODOGDMOFFL-CYBMUJFWSA-N 1 1 349.435 0.402 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCS1(=O)=O ZINC001267181843 836934535 /nfs/dbraw/zinc/93/45/35/836934535.db2.gz OQWBKFYGKNNJRW-LSDHHAIUSA-N 1 1 326.462 0.948 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)COC ZINC001279597726 836968282 /nfs/dbraw/zinc/96/82/82/836968282.db2.gz OFVIHLNSFCBXBY-PMPSAXMXSA-N 1 1 326.437 0.652 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001267202702 836979922 /nfs/dbraw/zinc/97/99/22/836979922.db2.gz HFKPGBILKYVOKY-ZIAGYGMSSA-N 1 1 347.463 0.818 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001267202702 836979929 /nfs/dbraw/zinc/97/99/29/836979929.db2.gz HFKPGBILKYVOKY-ZIAGYGMSSA-N 1 1 347.463 0.818 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C(C)C)c1 ZINC001267214845 837005388 /nfs/dbraw/zinc/00/53/88/837005388.db2.gz FWLITDZQZYZHDR-AWEZNQCLSA-N 1 1 330.432 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C(C)C)c1 ZINC001267214845 837005398 /nfs/dbraw/zinc/00/53/98/837005398.db2.gz FWLITDZQZYZHDR-AWEZNQCLSA-N 1 1 330.432 0.980 20 30 ECEDMO C=CCC1(C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CCOCC1 ZINC001267227126 837027801 /nfs/dbraw/zinc/02/78/01/837027801.db2.gz DDLVDMNUXFXUAY-CYBMUJFWSA-N 1 1 337.420 0.213 20 30 ECEDMO C=CCC1(C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CCOCC1 ZINC001267227126 837027808 /nfs/dbraw/zinc/02/78/08/837027808.db2.gz DDLVDMNUXFXUAY-CYBMUJFWSA-N 1 1 337.420 0.213 20 30 ECEDMO CC[N@H+](CCNC(=O)c1nc(C(C)C)oc1C)CC(=O)NCC#N ZINC001267240958 837048361 /nfs/dbraw/zinc/04/83/61/837048361.db2.gz FSIRNZNZSRTQCJ-UHFFFAOYSA-N 1 1 335.408 0.798 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1nc(C(C)C)oc1C)CC(=O)NCC#N ZINC001267240958 837048369 /nfs/dbraw/zinc/04/83/69/837048369.db2.gz FSIRNZNZSRTQCJ-UHFFFAOYSA-N 1 1 335.408 0.798 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H](C)c1cccnc1 ZINC001267256106 837081982 /nfs/dbraw/zinc/08/19/82/837081982.db2.gz XRZMOARJKTYBTH-GJZGRUSLSA-N 1 1 330.432 0.761 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H](C)c1cccnc1 ZINC001267256106 837081996 /nfs/dbraw/zinc/08/19/96/837081996.db2.gz XRZMOARJKTYBTH-GJZGRUSLSA-N 1 1 330.432 0.761 20 30 ECEDMO CC[N@H+](CCNC(=O)CC#Cc1ccccc1)CC(=O)NC(N)=O ZINC001267257520 837084711 /nfs/dbraw/zinc/08/47/11/837084711.db2.gz YWOFYQIXJDHXAP-UHFFFAOYSA-N 1 1 330.388 0.061 20 30 ECEDMO CC[N@@H+](CCNC(=O)CC#Cc1ccccc1)CC(=O)NC(N)=O ZINC001267257520 837084723 /nfs/dbraw/zinc/08/47/23/837084723.db2.gz YWOFYQIXJDHXAP-UHFFFAOYSA-N 1 1 330.388 0.061 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)nn1C ZINC001267260780 837091261 /nfs/dbraw/zinc/09/12/61/837091261.db2.gz NGQAATIRESDKDF-KGLIPLIRSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)nn1C ZINC001267260780 837091274 /nfs/dbraw/zinc/09/12/74/837091274.db2.gz NGQAATIRESDKDF-KGLIPLIRSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001267267000 837104039 /nfs/dbraw/zinc/10/40/39/837104039.db2.gz KGWBSHDUQXGENL-GXTWGEPZSA-N 1 1 336.436 0.919 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001267267000 837104044 /nfs/dbraw/zinc/10/40/44/837104044.db2.gz KGWBSHDUQXGENL-GXTWGEPZSA-N 1 1 336.436 0.919 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001267276294 837119944 /nfs/dbraw/zinc/11/99/44/837119944.db2.gz PCHIIJZNOSJSRE-KGLIPLIRSA-N 1 1 344.415 0.428 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001267276294 837119946 /nfs/dbraw/zinc/11/99/46/837119946.db2.gz PCHIIJZNOSJSRE-KGLIPLIRSA-N 1 1 344.415 0.428 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1cncn1C ZINC001267280744 837128767 /nfs/dbraw/zinc/12/87/67/837128767.db2.gz GGVLMUQDZKQEME-ZBFHGGJFSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1cncn1C ZINC001267280744 837128773 /nfs/dbraw/zinc/12/87/73/837128773.db2.gz GGVLMUQDZKQEME-ZBFHGGJFSA-N 1 1 345.447 0.071 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnns2)C1 ZINC001267288586 837138616 /nfs/dbraw/zinc/13/86/16/837138616.db2.gz MIGXBZPMFPWNHF-ZDUSSCGKSA-N 1 1 349.460 0.790 20 30 ECEDMO CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001267292332 837143624 /nfs/dbraw/zinc/14/36/24/837143624.db2.gz AAPYSVBHUOWMLV-WBVHZDCISA-N 1 1 349.475 0.769 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CC[N@H+](CC(=O)NC(=O)NCC=C)C1 ZINC001267292214 837145234 /nfs/dbraw/zinc/14/52/34/837145234.db2.gz UWUDHUNSVQOBOC-CQSZACIVSA-N 1 1 334.420 0.240 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)COCc2ccnn2C)C1 ZINC001267296092 837153655 /nfs/dbraw/zinc/15/36/55/837153655.db2.gz GVUCMRLMKWLCBG-HNNXBMFYSA-N 1 1 334.420 0.025 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC(C)C)C2)cn1 ZINC001267307094 837177650 /nfs/dbraw/zinc/17/76/50/837177650.db2.gz LOXRMILTXMURAI-HNNXBMFYSA-N 1 1 342.443 0.887 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001267314390 837189019 /nfs/dbraw/zinc/18/90/19/837189019.db2.gz HVZGFFCYSCAKIM-LUKYLMHMSA-N 1 1 349.475 0.768 20 30 ECEDMO CC(C)C#CC(=O)NCC[N@@H+](CCCS(=O)(=O)N(C)C)C1CC1 ZINC001267325488 837203278 /nfs/dbraw/zinc/20/32/78/837203278.db2.gz ILMJNDILKQCBQX-UHFFFAOYSA-N 1 1 343.493 0.508 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[N@H+](CC(=O)NC[C@H]1CCCO1)C1CC1 ZINC001267325474 837203570 /nfs/dbraw/zinc/20/35/70/837203570.db2.gz IDXQCEJTOGYHCG-MRXNPFEDSA-N 1 1 349.475 0.912 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[N@@H+](CC(=O)NC[C@H]1CCCO1)C1CC1 ZINC001267325474 837203577 /nfs/dbraw/zinc/20/35/77/837203577.db2.gz IDXQCEJTOGYHCG-MRXNPFEDSA-N 1 1 349.475 0.912 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]([NH2+]CC(=O)NC)c2ccccc2)c1 ZINC001267370437 837270785 /nfs/dbraw/zinc/27/07/85/837270785.db2.gz PNQPAPHXNBQQHY-QGZVFWFLSA-N 1 1 336.395 0.870 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cccn2)C1 ZINC001267578952 837837529 /nfs/dbraw/zinc/83/75/29/837837529.db2.gz UNSGMBSMPBUDBG-HNNXBMFYSA-N 1 1 333.436 0.356 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC001267580811 837841926 /nfs/dbraw/zinc/84/19/26/837841926.db2.gz DSBIXCNPKKIIJH-GXTWGEPZSA-N 1 1 332.404 0.515 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)COc2cccnc2)C1 ZINC001267581981 837847516 /nfs/dbraw/zinc/84/75/16/837847516.db2.gz ABZJKIWZCBDXTD-OAHLLOKOSA-N 1 1 344.415 0.038 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N2CCCC2)C1 ZINC001267583767 837851875 /nfs/dbraw/zinc/85/18/75/837851875.db2.gz VMDAXPVZJBVRFK-HZPDHXFCSA-N 1 1 335.448 0.427 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)COCc2ncc(C)o2)C1 ZINC001267586328 837863053 /nfs/dbraw/zinc/86/30/53/837863053.db2.gz PALWUQSJUKFJQQ-MRXNPFEDSA-N 1 1 349.431 0.930 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)nc2OC)C1 ZINC001267586863 837865689 /nfs/dbraw/zinc/86/56/89/837865689.db2.gz BBTDUOCAZARGAA-AWEZNQCLSA-N 1 1 334.420 0.472 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)nc1 ZINC001267594516 837896018 /nfs/dbraw/zinc/89/60/18/837896018.db2.gz INNWFMXCSGQEFC-UKRRQHHQSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2ccncc2)CC1 ZINC001267596211 837900609 /nfs/dbraw/zinc/90/06/09/837900609.db2.gz MQYDKKVIIBMOTJ-UHFFFAOYSA-N 1 1 328.416 0.615 20 30 ECEDMO CC[C@@H](SC)C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267598361 837906250 /nfs/dbraw/zinc/90/62/50/837906250.db2.gz BKHBLCKADNRFGW-CQSZACIVSA-N 1 1 340.493 0.938 20 30 ECEDMO CCOCCNC(=O)C[N@@H+](C)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001267599245 837911046 /nfs/dbraw/zinc/91/10/46/837911046.db2.gz IFSDYJBRCMVYDG-UHFFFAOYSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]2OC)CC1 ZINC001267601331 837920421 /nfs/dbraw/zinc/92/04/21/837920421.db2.gz KZGIGRFFMJMSOQ-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001267605934 837943803 /nfs/dbraw/zinc/94/38/03/837943803.db2.gz IJNCMTMQBRVJQA-PIIMJCKOSA-N 1 1 333.476 0.758 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cncc(OC)c2C)CC1 ZINC001267607832 837951573 /nfs/dbraw/zinc/95/15/73/837951573.db2.gz WRHXVWMWFSHEAR-UHFFFAOYSA-N 1 1 330.432 0.721 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)c2ccn(CCOC)n2)CC1 ZINC001267608962 837964715 /nfs/dbraw/zinc/96/47/15/837964715.db2.gz JZGSRMYAXKFUPA-UHFFFAOYSA-N 1 1 347.463 0.242 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)CCCc2nc(C)no2)CC1 ZINC001267617745 838044078 /nfs/dbraw/zinc/04/40/78/838044078.db2.gz HQJCPNTZTXLQKG-UHFFFAOYSA-N 1 1 333.436 0.410 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cncc(OC)n2)C1 ZINC001267631234 838089913 /nfs/dbraw/zinc/08/99/13/838089913.db2.gz DAQKHHXOMRVASI-AWEZNQCLSA-N 1 1 334.420 0.968 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001267633433 838095410 /nfs/dbraw/zinc/09/54/10/838095410.db2.gz YLJAHOUTIOFMER-HUUCEWRRSA-N 1 1 347.463 0.434 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)Nc2cnccn2)C1 ZINC001267646036 838131080 /nfs/dbraw/zinc/13/10/80/838131080.db2.gz KGIRPMKUZVEVFD-OAHLLOKOSA-N 1 1 343.431 0.855 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)Nc2cnccn2)C1 ZINC001267646036 838131084 /nfs/dbraw/zinc/13/10/84/838131084.db2.gz KGIRPMKUZVEVFD-OAHLLOKOSA-N 1 1 343.431 0.855 20 30 ECEDMO C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC2(CS(C)(=O)=O)CC2)C1 ZINC001267653063 838156399 /nfs/dbraw/zinc/15/63/99/838156399.db2.gz KAMGREQVHKZIMH-CQSZACIVSA-N 1 1 326.462 0.615 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)CC2(CS(C)(=O)=O)CC2)C1 ZINC001267653063 838156402 /nfs/dbraw/zinc/15/64/02/838156402.db2.gz KAMGREQVHKZIMH-CQSZACIVSA-N 1 1 326.462 0.615 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001267658455 838173809 /nfs/dbraw/zinc/17/38/09/838173809.db2.gz ONWFFKFSOBTLHS-OAHLLOKOSA-N 1 1 328.416 0.527 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267667002 838194623 /nfs/dbraw/zinc/19/46/23/838194623.db2.gz YHXFENJNVRCRMP-CQSZACIVSA-N 1 1 334.420 0.695 20 30 ECEDMO COCCCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267677823 838229290 /nfs/dbraw/zinc/22/92/90/838229290.db2.gz BSLFDXLDCZMIFQ-LBPRGKRZSA-N 1 1 347.419 0.089 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cnc(C)n2C)C1 ZINC001267683040 838243192 /nfs/dbraw/zinc/24/31/92/838243192.db2.gz IOKZWEWAXLZTBT-UKRRQHHQSA-N 1 1 345.447 0.260 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1C[NH+](CCN(C)S(C)(=O)=O)C1 ZINC001267683277 838243946 /nfs/dbraw/zinc/24/39/46/838243946.db2.gz KFNMCUGEACHPGL-UHFFFAOYSA-N 1 1 331.482 0.528 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001267695720 838283118 /nfs/dbraw/zinc/28/31/18/838283118.db2.gz FXXGRUIGNMUSFB-UHFFFAOYSA-N 1 1 343.431 0.388 20 30 ECEDMO CC(C)c1oncc1C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267696436 838285663 /nfs/dbraw/zinc/28/56/63/838285663.db2.gz GKDWAQLQOUYRLW-ZDUSSCGKSA-N 1 1 347.419 0.832 20 30 ECEDMO C=CCC1(C(=O)NCC2C[NH+]([C@@H](C)C(=O)N(C)C)C2)CCOCC1 ZINC001267696969 838289445 /nfs/dbraw/zinc/28/94/45/838289445.db2.gz BWIKEUHPJLAUMD-AWEZNQCLSA-N 1 1 337.464 0.884 20 30 ECEDMO CC#CC[NH2+]CCN(CCO)C(=O)c1c[nH]c2ccccc2c1=O ZINC001279753378 838300426 /nfs/dbraw/zinc/30/04/26/838300426.db2.gz JWRJPNXLWDMRFA-UHFFFAOYSA-N 1 1 327.384 0.576 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCC1=O ZINC001267704278 838304246 /nfs/dbraw/zinc/30/42/46/838304246.db2.gz LKFQWKQOLLOAAH-JYJNAYRXSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCC1=O ZINC001267704278 838304258 /nfs/dbraw/zinc/30/42/58/838304258.db2.gz LKFQWKQOLLOAAH-JYJNAYRXSA-N 1 1 335.448 0.875 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001267707029 838313049 /nfs/dbraw/zinc/31/30/49/838313049.db2.gz YDVUOMIJNWTICZ-HOTGVXAUSA-N 1 1 329.400 0.210 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cncc2C1 ZINC001267708366 838315863 /nfs/dbraw/zinc/31/58/63/838315863.db2.gz IAGYEGIWHBWYLU-PVAVHDDUSA-N 1 1 330.432 0.933 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cncc2C1 ZINC001267708366 838315874 /nfs/dbraw/zinc/31/58/74/838315874.db2.gz IAGYEGIWHBWYLU-PVAVHDDUSA-N 1 1 330.432 0.933 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001267724540 838386888 /nfs/dbraw/zinc/38/68/88/838386888.db2.gz GPJWSGMBFKNKED-ZDUSSCGKSA-N 1 1 331.420 0.332 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001267725175 838393600 /nfs/dbraw/zinc/39/36/00/838393600.db2.gz VDOPTPLSAVJLJK-AWEZNQCLSA-N 1 1 347.463 0.813 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001267725175 838393608 /nfs/dbraw/zinc/39/36/08/838393608.db2.gz VDOPTPLSAVJLJK-AWEZNQCLSA-N 1 1 347.463 0.813 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001267725175 838393614 /nfs/dbraw/zinc/39/36/14/838393614.db2.gz VDOPTPLSAVJLJK-AWEZNQCLSA-N 1 1 347.463 0.813 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2nccn3ccnc23)C1 ZINC001267729273 838413721 /nfs/dbraw/zinc/41/37/21/838413721.db2.gz ZIYHBIHSBLINAI-OLZOCXBDSA-N 1 1 342.403 0.224 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2nccn3ccnc23)C1 ZINC001267729273 838413726 /nfs/dbraw/zinc/41/37/26/838413726.db2.gz ZIYHBIHSBLINAI-OLZOCXBDSA-N 1 1 342.403 0.224 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC001267732606 838420149 /nfs/dbraw/zinc/42/01/49/838420149.db2.gz WHUMYPSWNXWILU-ZFWWWQNUSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC001267732606 838420152 /nfs/dbraw/zinc/42/01/52/838420152.db2.gz WHUMYPSWNXWILU-ZFWWWQNUSA-N 1 1 329.400 0.637 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001267737821 838435247 /nfs/dbraw/zinc/43/52/47/838435247.db2.gz DOHSDVMODLYHBF-OAHLLOKOSA-N 1 1 333.436 0.567 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001267737821 838435249 /nfs/dbraw/zinc/43/52/49/838435249.db2.gz DOHSDVMODLYHBF-OAHLLOKOSA-N 1 1 333.436 0.567 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)c2ccnnc2)CC1 ZINC001267746268 838452478 /nfs/dbraw/zinc/45/24/78/838452478.db2.gz SWPXIGCQJJUKEH-AWEZNQCLSA-N 1 1 345.447 0.951 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC001267746494 838452620 /nfs/dbraw/zinc/45/26/20/838452620.db2.gz XNXDQGRJGLDTBY-UHFFFAOYSA-N 1 1 348.451 0.210 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001267746494 838452622 /nfs/dbraw/zinc/45/26/22/838452622.db2.gz XNXDQGRJGLDTBY-UHFFFAOYSA-N 1 1 348.451 0.210 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001267746494 838452626 /nfs/dbraw/zinc/45/26/26/838452626.db2.gz XNXDQGRJGLDTBY-UHFFFAOYSA-N 1 1 348.451 0.210 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001267746494 838452629 /nfs/dbraw/zinc/45/26/29/838452629.db2.gz XNXDQGRJGLDTBY-UHFFFAOYSA-N 1 1 348.451 0.210 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001267746494 838452635 /nfs/dbraw/zinc/45/26/35/838452635.db2.gz XNXDQGRJGLDTBY-UHFFFAOYSA-N 1 1 348.451 0.210 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001267761078 838488486 /nfs/dbraw/zinc/48/84/86/838488486.db2.gz ANROLJYKYIKSKC-ZIAGYGMSSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001267761078 838488488 /nfs/dbraw/zinc/48/84/88/838488488.db2.gz ANROLJYKYIKSKC-ZIAGYGMSSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC001267762517 838491734 /nfs/dbraw/zinc/49/17/34/838491734.db2.gz RAEWFNNHJALXDT-JKSUJKDBSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC001267762517 838491738 /nfs/dbraw/zinc/49/17/38/838491738.db2.gz RAEWFNNHJALXDT-JKSUJKDBSA-N 1 1 337.464 0.720 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)nn(C)c2C)C1 ZINC001267766745 838502150 /nfs/dbraw/zinc/50/21/50/838502150.db2.gz ADLQLHXJEMVIOB-MRXNPFEDSA-N 1 1 332.448 0.762 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)nn(C)c2C)C1 ZINC001267766745 838502155 /nfs/dbraw/zinc/50/21/55/838502155.db2.gz ADLQLHXJEMVIOB-MRXNPFEDSA-N 1 1 332.448 0.762 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001267770725 838519050 /nfs/dbraw/zinc/51/90/50/838519050.db2.gz QINHAIMCJWHMHP-CHWSQXEVSA-N 1 1 347.419 0.328 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001267770725 838519056 /nfs/dbraw/zinc/51/90/56/838519056.db2.gz QINHAIMCJWHMHP-CHWSQXEVSA-N 1 1 347.419 0.328 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267773411 838531409 /nfs/dbraw/zinc/53/14/09/838531409.db2.gz MYKSKLWLALZNDG-KBPBESRZSA-N 1 1 344.415 0.380 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267773411 838531412 /nfs/dbraw/zinc/53/14/12/838531412.db2.gz MYKSKLWLALZNDG-KBPBESRZSA-N 1 1 344.415 0.380 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001267777146 838542902 /nfs/dbraw/zinc/54/29/02/838542902.db2.gz JOWGLDASSPCJND-HOTGVXAUSA-N 1 1 345.447 0.331 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001267777146 838542907 /nfs/dbraw/zinc/54/29/07/838542907.db2.gz JOWGLDASSPCJND-HOTGVXAUSA-N 1 1 345.447 0.331 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001267778562 838547938 /nfs/dbraw/zinc/54/79/38/838547938.db2.gz CZNSGDBUXNMEML-HWASQKLDSA-N 1 1 329.444 0.561 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001267778562 838547941 /nfs/dbraw/zinc/54/79/41/838547941.db2.gz CZNSGDBUXNMEML-HWASQKLDSA-N 1 1 329.444 0.561 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)CCn2cccn2)C1 ZINC001267779932 838552503 /nfs/dbraw/zinc/55/25/03/838552503.db2.gz HSIGGEDZICPPJH-HOTGVXAUSA-N 1 1 347.463 0.887 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CCn2cccn2)C1 ZINC001267779932 838552510 /nfs/dbraw/zinc/55/25/10/838552510.db2.gz HSIGGEDZICPPJH-HOTGVXAUSA-N 1 1 347.463 0.887 20 30 ECEDMO CCN(C(=O)CC(N)=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001267783585 838558571 /nfs/dbraw/zinc/55/85/71/838558571.db2.gz CEIOXKRSTZEHMW-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO CCN(C(=O)CC(N)=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001267783585 838558575 /nfs/dbraw/zinc/55/85/75/838558575.db2.gz CEIOXKRSTZEHMW-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C#CCCCC(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC001267783933 838558855 /nfs/dbraw/zinc/55/88/55/838558855.db2.gz MJYMSAPTUTVIPY-AWEZNQCLSA-N 1 1 336.436 0.558 20 30 ECEDMO C#CCCCC(=O)N(CC)[C@H]1CC[N@H+](CC(=O)NC(=O)NCC)C1 ZINC001267783933 838558856 /nfs/dbraw/zinc/55/88/56/838558856.db2.gz MJYMSAPTUTVIPY-AWEZNQCLSA-N 1 1 336.436 0.558 20 30 ECEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267788010 838565447 /nfs/dbraw/zinc/56/54/47/838565447.db2.gz OOMXIDFIPPGWPL-AWEZNQCLSA-N 1 1 334.420 0.838 20 30 ECEDMO C#CCOCCC(=O)N(CC)[C@@H]1CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001267786695 838566337 /nfs/dbraw/zinc/56/63/37/838566337.db2.gz OQQBWTVCANIADN-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2cn[nH]c2)C1 ZINC001267791911 838572356 /nfs/dbraw/zinc/57/23/56/838572356.db2.gz YKQXYRXAEPWYCY-GOEBONIOSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CCc2cn[nH]c2)C1 ZINC001267791911 838572360 /nfs/dbraw/zinc/57/23/60/838572360.db2.gz YKQXYRXAEPWYCY-GOEBONIOSA-N 1 1 345.447 0.403 20 30 ECEDMO CC[C@@H](CNC(=O)C#CC(C)C)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001267803817 838581468 /nfs/dbraw/zinc/58/14/68/838581468.db2.gz WHJQBZVTZFDNDD-HOTGVXAUSA-N 1 1 347.463 0.958 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ncnn1CC ZINC001267804707 838583750 /nfs/dbraw/zinc/58/37/50/838583750.db2.gz AAMZJXWYYFYHHI-GJZGRUSLSA-N 1 1 332.452 0.380 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)OC)C2)nn1 ZINC001105183454 838726503 /nfs/dbraw/zinc/72/65/03/838726503.db2.gz QUJJHCWDHNRUMF-ZDUSSCGKSA-N 1 1 337.424 0.379 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cn3cc(C)cn3)C2)nn1 ZINC001105178910 838726984 /nfs/dbraw/zinc/72/69/84/838726984.db2.gz YGMYLGDXOSZTAD-UHFFFAOYSA-N 1 1 329.408 0.532 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H](CNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001268030851 839054023 /nfs/dbraw/zinc/05/40/23/839054023.db2.gz VQUIUULEOMECIZ-GFCCVEGCSA-N 1 1 336.392 0.132 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H](CNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001268030851 839054038 /nfs/dbraw/zinc/05/40/38/839054038.db2.gz VQUIUULEOMECIZ-GFCCVEGCSA-N 1 1 336.392 0.132 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001268030852 839054066 /nfs/dbraw/zinc/05/40/66/839054066.db2.gz VQUIUULEOMECIZ-LBPRGKRZSA-N 1 1 336.392 0.132 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H](CNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001268030852 839054080 /nfs/dbraw/zinc/05/40/80/839054080.db2.gz VQUIUULEOMECIZ-LBPRGKRZSA-N 1 1 336.392 0.132 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC001268042502 839187762 /nfs/dbraw/zinc/18/77/62/839187762.db2.gz RIRRIYSAQLAHGJ-GJZGRUSLSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1[nH]c(C)nc1C)CC2 ZINC001268046408 839212493 /nfs/dbraw/zinc/21/24/93/839212493.db2.gz ZBTQITLZXJDIHD-UHFFFAOYSA-N 1 1 345.447 0.867 20 30 ECEDMO N#Cc1ncn(CC(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)n1 ZINC000428534949 210267196 /nfs/dbraw/zinc/26/71/96/210267196.db2.gz GVCSKOSCLPIINW-AWEZNQCLSA-N 1 1 326.360 0.355 20 30 ECEDMO CN1CCN(CCC[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000174721753 529887456 /nfs/dbraw/zinc/88/74/56/529887456.db2.gz REIGPPDSLSZEBP-GOSISDBHSA-N 1 1 346.475 0.867 20 30 ECEDMO CN1CCN(CCC[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000174721753 529887457 /nfs/dbraw/zinc/88/74/57/529887457.db2.gz REIGPPDSLSZEBP-GOSISDBHSA-N 1 1 346.475 0.867 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cccc(F)c2C#N)CC1 ZINC000427011894 210176594 /nfs/dbraw/zinc/17/65/94/210176594.db2.gz KLBMCFQVDXOBKN-UHFFFAOYSA-N 1 1 332.379 0.980 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000178137619 530061705 /nfs/dbraw/zinc/06/17/05/530061705.db2.gz LTDAMDREVYUQKY-KRWDZBQOSA-N 1 1 340.427 0.866 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000178100391 232083280 /nfs/dbraw/zinc/08/32/80/232083280.db2.gz YMJOFZVALHODES-HNNXBMFYSA-N 1 1 342.399 0.677 20 30 ECEDMO N#C[C@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000333355948 283066830 /nfs/dbraw/zinc/06/68/30/283066830.db2.gz GJWBZZMSKAFZCE-LSDHHAIUSA-N 1 1 336.436 0.859 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000264659514 283185215 /nfs/dbraw/zinc/18/52/15/283185215.db2.gz YLDHYYUBCLKVJL-CQSZACIVSA-N 1 1 336.417 0.176 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000264659514 283185217 /nfs/dbraw/zinc/18/52/17/283185217.db2.gz YLDHYYUBCLKVJL-CQSZACIVSA-N 1 1 336.417 0.176 20 30 ECEDMO N#Cc1ccc(CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C2CC2)cc1 ZINC000420148493 209322057 /nfs/dbraw/zinc/32/20/57/209322057.db2.gz GCUWSHZHWNDDGZ-UHFFFAOYSA-N 1 1 336.342 0.759 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](C)C(=O)NC)C3)C2)c1 ZINC001041661212 781942932 /nfs/dbraw/zinc/94/29/32/781942932.db2.gz UTQGUHDSZNLGIN-IFXJQAMLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](C)C(=O)NC)C3)C2)c1 ZINC001041661217 781943065 /nfs/dbraw/zinc/94/30/65/781943065.db2.gz UTQGUHDSZNLGIN-LIRRHRJNSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)c1 ZINC001041661771 781943773 /nfs/dbraw/zinc/94/37/73/781943773.db2.gz YJVOJUVURJRMJL-ACJLOTCBSA-N 1 1 326.400 0.475 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000265175008 247270948 /nfs/dbraw/zinc/27/09/48/247270948.db2.gz FMBJRRNKSSSKPA-HOCLYGCPSA-N 1 1 349.431 0.896 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001077940397 781974572 /nfs/dbraw/zinc/97/45/72/781974572.db2.gz ZRGCCPNBGRKTJF-FRFSOERESA-N 1 1 326.400 0.782 20 30 ECEDMO CC(C)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000329522959 254610179 /nfs/dbraw/zinc/61/01/79/254610179.db2.gz RJYWSWVDZSENML-AWEZNQCLSA-N 1 1 326.441 0.421 20 30 ECEDMO CC(C)(CCC#N)CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000358709169 254730900 /nfs/dbraw/zinc/73/09/00/254730900.db2.gz NSMXYUFWRHGQFO-INIZCTEOSA-N 1 1 326.441 0.699 20 30 ECEDMO N#CCc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000453819142 254807683 /nfs/dbraw/zinc/80/76/83/254807683.db2.gz MLEADJMRQNGZQB-INIZCTEOSA-N 1 1 344.415 0.654 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000491667148 254926307 /nfs/dbraw/zinc/92/63/07/254926307.db2.gz KYHYQYWJNCUWRH-INIZCTEOSA-N 1 1 348.447 0.460 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495417918 255007918 /nfs/dbraw/zinc/00/79/18/255007918.db2.gz FUWMPEVHBCTDPE-AWEZNQCLSA-N 1 1 341.452 0.982 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000419349377 209065603 /nfs/dbraw/zinc/06/56/03/209065603.db2.gz UGPMUEUJXYAVPY-OAHLLOKOSA-N 1 1 331.372 0.691 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000419349377 209065606 /nfs/dbraw/zinc/06/56/06/209065606.db2.gz UGPMUEUJXYAVPY-OAHLLOKOSA-N 1 1 331.372 0.691 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000419349376 209065738 /nfs/dbraw/zinc/06/57/38/209065738.db2.gz UGPMUEUJXYAVPY-HNNXBMFYSA-N 1 1 331.372 0.691 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000419349376 209065742 /nfs/dbraw/zinc/06/57/42/209065742.db2.gz UGPMUEUJXYAVPY-HNNXBMFYSA-N 1 1 331.372 0.691 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000249142484 165193461 /nfs/dbraw/zinc/19/34/61/165193461.db2.gz ZNIUKYJGNWXUCZ-JKSUJKDBSA-N 1 1 342.399 0.106 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000249142484 165193463 /nfs/dbraw/zinc/19/34/63/165193463.db2.gz ZNIUKYJGNWXUCZ-JKSUJKDBSA-N 1 1 342.399 0.106 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC001041703775 782021144 /nfs/dbraw/zinc/02/11/44/782021144.db2.gz IOQQTMSKQGVGLZ-YJBOKZPZSA-N 1 1 342.447 0.573 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC[C@H]3CO)CC2)o1 ZINC000123026303 222202141 /nfs/dbraw/zinc/20/21/41/222202141.db2.gz UTQDKSQQQRYWEH-AWEZNQCLSA-N 1 1 347.419 0.350 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)nn1CCC#N ZINC000536624280 421229094 /nfs/dbraw/zinc/22/90/94/421229094.db2.gz MXXAFKGDZRXLRE-GFCCVEGCSA-N 1 1 332.408 0.502 20 30 ECEDMO N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCC[NH+]1CCOCC1)CC2 ZINC000270257075 263231301 /nfs/dbraw/zinc/23/13/01/263231301.db2.gz YINOWKJECDHPPC-UHFFFAOYSA-N 1 1 342.399 0.286 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000281963266 264000805 /nfs/dbraw/zinc/00/08/05/264000805.db2.gz GHYUGJMTXHAAKX-CABCVRRESA-N 1 1 330.432 0.561 20 30 ECEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000284039003 264184072 /nfs/dbraw/zinc/18/40/72/264184072.db2.gz PINYKBQQFUSBED-INIZCTEOSA-N 1 1 328.416 0.975 20 30 ECEDMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)cc3C#N)[C@@H]2C1 ZINC000284348575 264202726 /nfs/dbraw/zinc/20/27/26/264202726.db2.gz AITSSTAETPJGRB-KGLIPLIRSA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)cc3C#N)[C@@H]2C1 ZINC000284348575 264202727 /nfs/dbraw/zinc/20/27/27/264202727.db2.gz AITSSTAETPJGRB-KGLIPLIRSA-N 1 1 339.392 0.791 20 30 ECEDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000285833507 264343085 /nfs/dbraw/zinc/34/30/85/264343085.db2.gz HIAWACOIFYQBTC-MAUKXSAKSA-N 1 1 342.443 0.969 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)NCc2cccc(C#N)c2)n1C ZINC000340148189 270005990 /nfs/dbraw/zinc/00/59/90/270005990.db2.gz KEVSXGYVJNNLPA-UHFFFAOYSA-N 1 1 340.387 0.290 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000528560006 270008121 /nfs/dbraw/zinc/00/81/21/270008121.db2.gz FUROZHSQFHNCEV-MSOLQXFVSA-N 1 1 345.443 0.829 20 30 ECEDMO CC(C)N1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1=O ZINC000515831916 266921873 /nfs/dbraw/zinc/92/18/73/266921873.db2.gz BQSHWLPFGCDVJS-AWEZNQCLSA-N 1 1 335.429 0.931 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1CC[N@H+]1CCCOCC1 ZINC000361319564 267067095 /nfs/dbraw/zinc/06/70/95/267067095.db2.gz WGAMDMZTFNGONS-OAHLLOKOSA-N 1 1 330.436 0.581 20 30 ECEDMO C[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000362243311 267131741 /nfs/dbraw/zinc/13/17/41/267131741.db2.gz WZYDOPUPKKNGKD-AWEZNQCLSA-N 1 1 328.416 0.942 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366419388 267137391 /nfs/dbraw/zinc/13/73/91/267137391.db2.gz NFEUMLLPAPIUMV-SWHYSGLUSA-N 1 1 326.356 0.480 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372105416 267282554 /nfs/dbraw/zinc/28/25/54/267282554.db2.gz LMHPEMIYLONWOQ-HUUCEWRRSA-N 1 1 342.399 0.785 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C1 ZINC000528583014 267338216 /nfs/dbraw/zinc/33/82/16/267338216.db2.gz QMVIMAABFXCSHD-KRWDZBQOSA-N 1 1 327.432 0.734 20 30 ECEDMO C[C@]1(CO)C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@@]1(C)CO ZINC000528755184 267904022 /nfs/dbraw/zinc/90/40/22/267904022.db2.gz PMMUEMJIWCIGAX-RYQLBKOJSA-N 1 1 334.416 0.611 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)cc1C#N ZINC000519183122 268083169 /nfs/dbraw/zinc/08/31/69/268083169.db2.gz JPWPIEGUZDTPFH-MRXNPFEDSA-N 1 1 343.412 0.992 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1 ZINC000371354094 268134395 /nfs/dbraw/zinc/13/43/95/268134395.db2.gz KUZVDAZMGXTXOC-JKSUJKDBSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc1 ZINC000371354094 268134398 /nfs/dbraw/zinc/13/43/98/268134398.db2.gz KUZVDAZMGXTXOC-JKSUJKDBSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1F ZINC000340967286 268135110 /nfs/dbraw/zinc/13/51/10/268135110.db2.gz KKBASAVCCIOCMC-AWEZNQCLSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1F ZINC000340967286 268135112 /nfs/dbraw/zinc/13/51/12/268135112.db2.gz KKBASAVCCIOCMC-AWEZNQCLSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(C(N)=O)CCCCC2)nc1 ZINC000289905868 268189601 /nfs/dbraw/zinc/18/96/01/268189601.db2.gz NFEFYHSPADEEIB-UHFFFAOYSA-N 1 1 336.417 0.505 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000347546161 268264597 /nfs/dbraw/zinc/26/45/97/268264597.db2.gz VHSXTVOZLFIXJG-CQSZACIVSA-N 1 1 336.417 0.640 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366814428 268308097 /nfs/dbraw/zinc/30/80/97/268308097.db2.gz WZIPINYYBUYJDG-NWDGAFQWSA-N 1 1 334.401 0.538 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000268806297 277075810 /nfs/dbraw/zinc/07/58/10/277075810.db2.gz FWZDTLOAFPLSST-ZDUSSCGKSA-N 1 1 344.375 0.604 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC001041719929 782050694 /nfs/dbraw/zinc/05/06/94/782050694.db2.gz JOSOOQDAZIZJSM-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000451328650 293278098 /nfs/dbraw/zinc/27/80/98/293278098.db2.gz LJBUGVLDHNCXMN-XKQJLSEDSA-N 1 1 339.436 0.941 20 30 ECEDMO C[C@H](CNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)[N@@H+](C)C1CC1 ZINC000330201423 298244412 /nfs/dbraw/zinc/24/44/12/298244412.db2.gz XTNJZKIKEGTFNO-YPMHNXCESA-N 1 1 332.470 0.349 20 30 ECEDMO C=C(C)C[N@@H+](CC)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000072553272 436046809 /nfs/dbraw/zinc/04/68/09/436046809.db2.gz QRJGXKGTMBNADL-UHFFFAOYSA-N 1 1 336.436 0.866 20 30 ECEDMO C=C(C)C[N@H+](CC)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000072553272 436046815 /nfs/dbraw/zinc/04/68/15/436046815.db2.gz QRJGXKGTMBNADL-UHFFFAOYSA-N 1 1 336.436 0.866 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000072834544 436059325 /nfs/dbraw/zinc/05/93/25/436059325.db2.gz VZMPALSMPJBZIZ-OAHLLOKOSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000072834544 436059330 /nfs/dbraw/zinc/05/93/30/436059330.db2.gz VZMPALSMPJBZIZ-OAHLLOKOSA-N 1 1 329.404 0.323 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000076429302 436205583 /nfs/dbraw/zinc/20/55/83/436205583.db2.gz NBZUIJVDZHKOIH-UHFFFAOYSA-N 1 1 336.367 0.720 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000076945334 436218946 /nfs/dbraw/zinc/21/89/46/436218946.db2.gz SPNXETJJKYUTIX-HNNXBMFYSA-N 1 1 337.468 0.090 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000076945334 436218952 /nfs/dbraw/zinc/21/89/52/436218952.db2.gz SPNXETJJKYUTIX-HNNXBMFYSA-N 1 1 337.468 0.090 20 30 ECEDMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513180 436349333 /nfs/dbraw/zinc/34/93/33/436349333.db2.gz RIDWXZIMDSRGED-JSGCOSHPSA-N 1 1 335.429 0.918 20 30 ECEDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513180 436349337 /nfs/dbraw/zinc/34/93/37/436349337.db2.gz RIDWXZIMDSRGED-JSGCOSHPSA-N 1 1 335.429 0.918 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000081759014 436356512 /nfs/dbraw/zinc/35/65/12/436356512.db2.gz ITYUPIQJHKOLOT-OAHLLOKOSA-N 1 1 343.431 0.523 20 30 ECEDMO C#CCC[NH+]1CCN(c2ccc(S(=O)(=O)NC)cc2F)CC1 ZINC000091480390 436450752 /nfs/dbraw/zinc/45/07/52/436450752.db2.gz BHAUTAKGFAQKMW-UHFFFAOYSA-N 1 1 325.409 0.879 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[NH+](C3CC3)CC2)CC1 ZINC000091542958 436452046 /nfs/dbraw/zinc/45/20/46/436452046.db2.gz ALYPSOSMHKTBOV-KRWDZBQOSA-N 1 1 333.480 0.459 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](CCCCO)C2CC2)CC1 ZINC000091581249 436454334 /nfs/dbraw/zinc/45/43/34/436454334.db2.gz FBMXNSWWGXWGNS-QGZVFWFLSA-N 1 1 336.480 0.916 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)o1 ZINC000089937449 436422085 /nfs/dbraw/zinc/42/20/85/436422085.db2.gz IQJAPEWQHRJPFW-ZDUSSCGKSA-N 1 1 349.460 0.941 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000089992425 436424798 /nfs/dbraw/zinc/42/47/98/436424798.db2.gz JMIGHPBDKUYFJV-ZDUSSCGKSA-N 1 1 331.482 0.800 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cnc3sc(C)cn3c2=O)CC1 ZINC000092884623 436478547 /nfs/dbraw/zinc/47/85/47/436478547.db2.gz UZRXKJQVHUJUPH-UHFFFAOYSA-N 1 1 330.413 0.846 20 30 ECEDMO C#CCNC(=O)[C@H](C)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000056215170 436588763 /nfs/dbraw/zinc/58/87/63/436588763.db2.gz SHLKYZQWSMRGTM-HNNXBMFYSA-N 1 1 342.443 0.553 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000108326792 436616592 /nfs/dbraw/zinc/61/65/92/436616592.db2.gz BPBXQKCUAMNGPS-CQSZACIVSA-N 1 1 349.456 0.670 20 30 ECEDMO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(C#N)CC1 ZINC000057876493 436616770 /nfs/dbraw/zinc/61/67/70/436616770.db2.gz ALTFOQDLFZVHRF-CQSZACIVSA-N 1 1 328.420 0.749 20 30 ECEDMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000057860489 436617058 /nfs/dbraw/zinc/61/70/58/436617058.db2.gz QULSAXREFRWTAU-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231171 436629917 /nfs/dbraw/zinc/62/99/17/436629917.db2.gz FPYSFXHRBGKFIY-DLBZAZTESA-N 1 1 335.496 0.849 20 30 ECEDMO CN(C)c1nc(N2CCN(C(=O)c3ccc(C#N)nc3)CC2)cc[nH+]1 ZINC000153770215 436763068 /nfs/dbraw/zinc/76/30/68/436763068.db2.gz BPJNFJYVXFMJEU-UHFFFAOYSA-N 1 1 337.387 0.772 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000245563211 436764374 /nfs/dbraw/zinc/76/43/74/436764374.db2.gz PORDEGQANLPFMV-SJLPKXTDSA-N 1 1 334.464 0.791 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 ZINC000272482482 436717490 /nfs/dbraw/zinc/71/74/90/436717490.db2.gz RWXQQDNPFFIHDU-ZBFHGGJFSA-N 1 1 326.400 0.841 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+](CC)C2)c1 ZINC000121498472 436718246 /nfs/dbraw/zinc/71/82/46/436718246.db2.gz LPLRQEXZKLCDKF-CQSZACIVSA-N 1 1 349.456 0.670 20 30 ECEDMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000246155351 436773453 /nfs/dbraw/zinc/77/34/53/436773453.db2.gz TYXAZIFTQKXIAZ-CVEARBPZSA-N 1 1 349.479 0.137 20 30 ECEDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000246224825 436775472 /nfs/dbraw/zinc/77/54/72/436775472.db2.gz ZWCWXKHBQNYXGF-QZTJIDSGSA-N 1 1 349.523 0.952 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246402239 436779226 /nfs/dbraw/zinc/77/92/26/436779226.db2.gz ITFCEIJRUDPNCV-UNEWFSDZSA-N 1 1 334.416 0.729 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246402239 436779228 /nfs/dbraw/zinc/77/92/28/436779228.db2.gz ITFCEIJRUDPNCV-UNEWFSDZSA-N 1 1 334.416 0.729 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000126973824 436794336 /nfs/dbraw/zinc/79/43/36/436794336.db2.gz UMVUDYUFLYLIEH-MRXNPFEDSA-N 1 1 336.480 0.671 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000126973824 436794338 /nfs/dbraw/zinc/79/43/38/436794338.db2.gz UMVUDYUFLYLIEH-MRXNPFEDSA-N 1 1 336.480 0.671 20 30 ECEDMO C#CC[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000274114724 436798272 /nfs/dbraw/zinc/79/82/72/436798272.db2.gz FZLAFWDIMXETEZ-UHFFFAOYSA-N 1 1 332.404 0.760 20 30 ECEDMO C=CCOCC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000293011227 436841421 /nfs/dbraw/zinc/84/14/21/436841421.db2.gz HLZGZFQKQIWMNN-UHFFFAOYSA-N 1 1 333.436 0.638 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159395275 436857229 /nfs/dbraw/zinc/85/72/29/436857229.db2.gz WQDCIGIAOAOYJO-INIZCTEOSA-N 1 1 336.480 0.825 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1sccc1C(=O)OC ZINC000293297252 436864824 /nfs/dbraw/zinc/86/48/24/436864824.db2.gz HGFRTEACSZVTDR-UHFFFAOYSA-N 1 1 337.401 0.545 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249867697 436827578 /nfs/dbraw/zinc/82/75/78/436827578.db2.gz ILRUWQOHLFRIFH-CHWSQXEVSA-N 1 1 346.435 0.804 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249867697 436827580 /nfs/dbraw/zinc/82/75/80/436827580.db2.gz ILRUWQOHLFRIFH-CHWSQXEVSA-N 1 1 346.435 0.804 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000129951324 436831621 /nfs/dbraw/zinc/83/16/21/436831621.db2.gz GVVHWBRJROYKTP-LSDHHAIUSA-N 1 1 349.479 0.241 20 30 ECEDMO CNC(=O)NCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000292882796 436834887 /nfs/dbraw/zinc/83/48/87/436834887.db2.gz YZVNMPPZXRQXQW-UHFFFAOYSA-N 1 1 343.431 0.912 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000293861721 436914532 /nfs/dbraw/zinc/91/45/32/436914532.db2.gz BHLYMAZVHIYYLY-UHFFFAOYSA-N 1 1 337.445 0.378 20 30 ECEDMO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1 ZINC000163240704 436920986 /nfs/dbraw/zinc/92/09/86/436920986.db2.gz NYVDGFQODSQIAP-UHFFFAOYSA-N 1 1 341.408 0.527 20 30 ECEDMO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[N@H+](CCO)CC2)c1 ZINC000163240704 436920992 /nfs/dbraw/zinc/92/09/92/436920992.db2.gz NYVDGFQODSQIAP-UHFFFAOYSA-N 1 1 341.408 0.527 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000293534844 436886708 /nfs/dbraw/zinc/88/67/08/436886708.db2.gz PUJFTKWMTMBROL-UHFFFAOYSA-N 1 1 335.429 0.556 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC000293681606 436899119 /nfs/dbraw/zinc/89/91/19/436899119.db2.gz AZPXMSNZUKADGZ-UHFFFAOYSA-N 1 1 338.429 0.848 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000293793963 436910621 /nfs/dbraw/zinc/91/06/21/436910621.db2.gz MRSDCKDRHSMDAN-UHFFFAOYSA-N 1 1 341.389 0.837 20 30 ECEDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000295097775 436961596 /nfs/dbraw/zinc/96/15/96/436961596.db2.gz GTPRMBANMNESDG-HNNXBMFYSA-N 1 1 341.408 0.837 20 30 ECEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000295097775 436961597 /nfs/dbraw/zinc/96/15/97/436961597.db2.gz GTPRMBANMNESDG-HNNXBMFYSA-N 1 1 341.408 0.837 20 30 ECEDMO C=CCN1CC[C@@H](N(C)CC[N@H+](C)[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000281493817 436975067 /nfs/dbraw/zinc/97/50/67/436975067.db2.gz XOTQCIBIFVQZLR-HZPDHXFCSA-N 1 1 334.464 0.424 20 30 ECEDMO C=CCN1CC[C@@H](N(C)CC[N@@H+](C)[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000281493817 436975071 /nfs/dbraw/zinc/97/50/71/436975071.db2.gz XOTQCIBIFVQZLR-HZPDHXFCSA-N 1 1 334.464 0.424 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNS(=O)(=O)c1cccs1 ZINC000294017904 436928523 /nfs/dbraw/zinc/92/85/23/436928523.db2.gz QHFWZCFNEKRRCW-UHFFFAOYSA-N 1 1 329.447 0.098 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280910726 436932111 /nfs/dbraw/zinc/93/21/11/436932111.db2.gz SCKGJVHMVDZYJJ-JQHSSLGASA-N 1 1 327.428 0.710 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280910726 436932114 /nfs/dbraw/zinc/93/21/14/436932114.db2.gz SCKGJVHMVDZYJJ-JQHSSLGASA-N 1 1 327.428 0.710 20 30 ECEDMO N#CC1(NC(=O)C[NH+]2CCC(c3nc(=O)[nH][nH]3)CC2)CCCCC1 ZINC000280964745 436936414 /nfs/dbraw/zinc/93/64/14/436936414.db2.gz JXFVAXRVIIFWPM-UHFFFAOYSA-N 1 1 332.408 0.620 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000294747205 436960681 /nfs/dbraw/zinc/96/06/81/436960681.db2.gz OWPORWYCPIXDDB-MRXNPFEDSA-N 1 1 345.443 0.972 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@H](O)c1cc(OC)ccc1OC ZINC000296494255 436993256 /nfs/dbraw/zinc/99/32/56/436993256.db2.gz BAHQTCPMZYTKJQ-INIZCTEOSA-N 1 1 349.431 0.992 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000297065023 437002675 /nfs/dbraw/zinc/00/26/75/437002675.db2.gz YIFKCKBJUIHZKI-UHFFFAOYSA-N 1 1 340.431 0.740 20 30 ECEDMO CO/N=C/c1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000264558880 437046174 /nfs/dbraw/zinc/04/61/74/437046174.db2.gz QGPQVQNNLILVLV-RVZJCZPVSA-N 1 1 332.404 0.737 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000285203665 437078031 /nfs/dbraw/zinc/07/80/31/437078031.db2.gz VUEUDDWPXUCSPL-UHFFFAOYSA-N 1 1 333.432 0.944 20 30 ECEDMO N#Cc1ncn(CCNC(=O)NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000286502477 437093389 /nfs/dbraw/zinc/09/33/89/437093389.db2.gz KKXLMCWHNHSTON-UHFFFAOYSA-N 1 1 339.403 0.507 20 30 ECEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000177380551 437181702 /nfs/dbraw/zinc/18/17/02/437181702.db2.gz BQORYHZZYWCXBO-SFHVURJKSA-N 1 1 335.496 0.753 20 30 ECEDMO CN(CCN(C)C1CC[NH+](C)CC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000177380551 437181708 /nfs/dbraw/zinc/18/17/08/437181708.db2.gz BQORYHZZYWCXBO-SFHVURJKSA-N 1 1 335.496 0.753 20 30 ECEDMO C#CCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000178188150 437207227 /nfs/dbraw/zinc/20/72/27/437207227.db2.gz MEWFPJFECGNXQH-ZDUSSCGKSA-N 1 1 344.415 0.423 20 30 ECEDMO CCC(CC)[C@@H](CNC(=O)Cn1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000178400438 437214728 /nfs/dbraw/zinc/21/47/28/437214728.db2.gz JNLDIELGVUROGX-CQSZACIVSA-N 1 1 334.424 0.403 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000332354302 437216290 /nfs/dbraw/zinc/21/62/90/437216290.db2.gz RYCNHGFEPKPYPC-AEFFLSMTSA-N 1 1 336.480 0.916 20 30 ECEDMO Cc1ncc(S(=O)(=O)NC[C@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000332558574 437232498 /nfs/dbraw/zinc/23/24/98/437232498.db2.gz OVTMUVQYNAITSW-GFCCVEGCSA-N 1 1 331.401 0.999 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277727193 437247160 /nfs/dbraw/zinc/24/71/60/437247160.db2.gz JPBLOPBCSZGZPA-BPUTZDHNSA-N 1 1 333.436 0.436 20 30 ECEDMO C#CC[NH+]1CCC(c2nc(CC(=O)NCCCOCC)no2)CC1 ZINC000277757608 437251423 /nfs/dbraw/zinc/25/14/23/437251423.db2.gz FTLIZRGNRKBKDF-UHFFFAOYSA-N 1 1 334.420 0.968 20 30 ECEDMO C[N@@H+]1CCN(C(=O)NCCn2cnc(C#N)n2)[C@H](c2ccccc2)C1 ZINC000287921976 437254523 /nfs/dbraw/zinc/25/45/23/437254523.db2.gz QXUZHHOTTIMTEA-HNNXBMFYSA-N 1 1 339.403 0.848 20 30 ECEDMO C[N@H+]1CCN(C(=O)NCCn2cnc(C#N)n2)[C@H](c2ccccc2)C1 ZINC000287921976 437254526 /nfs/dbraw/zinc/25/45/26/437254526.db2.gz QXUZHHOTTIMTEA-HNNXBMFYSA-N 1 1 339.403 0.848 20 30 ECEDMO Cn1cc([C@@H]2C[N@H+](CC(=O)Nc3cccc(C#N)c3)C[C@H]2CO)cn1 ZINC000277807781 437256068 /nfs/dbraw/zinc/25/60/68/437256068.db2.gz PUFLOJJIUYTJOF-RDJZCZTQSA-N 1 1 339.399 0.938 20 30 ECEDMO Cn1cc([C@@H]2C[N@@H+](CC(=O)Nc3cccc(C#N)c3)C[C@H]2CO)cn1 ZINC000277807781 437256069 /nfs/dbraw/zinc/25/60/69/437256069.db2.gz PUFLOJJIUYTJOF-RDJZCZTQSA-N 1 1 339.399 0.938 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC2(O)CCOCC2)C1 ZINC000329071901 437313096 /nfs/dbraw/zinc/31/30/96/437313096.db2.gz NXTRUTVLCRQELU-CQSZACIVSA-N 1 1 329.441 0.388 20 30 ECEDMO C=C(C)C[N@@H+](C)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000181269973 437315415 /nfs/dbraw/zinc/31/54/15/437315415.db2.gz WEGJMLSMEOANLE-UHFFFAOYSA-N 1 1 339.461 0.891 20 30 ECEDMO Cn1nccc1[C@H]1[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)CC(=O)N1C ZINC000329103363 437319363 /nfs/dbraw/zinc/31/93/63/437319363.db2.gz DFNAQLPWJLRGDF-QMTHXVAHSA-N 1 1 334.380 0.314 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000329006940 437300498 /nfs/dbraw/zinc/30/04/98/437300498.db2.gz NDZAGCMMAREISN-CQSZACIVSA-N 1 1 331.482 0.999 20 30 ECEDMO C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000329305177 437350082 /nfs/dbraw/zinc/35/00/82/437350082.db2.gz OPFHLEAEJDPLSC-QWHCGFSZSA-N 1 1 344.481 0.517 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc3nccnc3n2)CC1 ZINC000329377083 437359407 /nfs/dbraw/zinc/35/94/07/437359407.db2.gz MCEZZNKZSAMSNG-UHFFFAOYSA-N 1 1 328.376 0.805 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000329408406 437365959 /nfs/dbraw/zinc/36/59/59/437365959.db2.gz BJYDSJKEULNJKX-MLGOLLRUSA-N 1 1 337.424 0.114 20 30 ECEDMO N#CCCNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCC2)cc1 ZINC000337593442 437367753 /nfs/dbraw/zinc/36/77/53/437367753.db2.gz NWWLOLGXDPDETR-UHFFFAOYSA-N 1 1 336.417 0.314 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000337067383 437325990 /nfs/dbraw/zinc/32/59/90/437325990.db2.gz LRFORUVKDIVFQW-CQSZACIVSA-N 1 1 346.497 0.491 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000337088026 437329220 /nfs/dbraw/zinc/32/92/20/437329220.db2.gz GUFQMUKDSSCTCK-AWEZNQCLSA-N 1 1 332.470 0.367 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000337154160 437336038 /nfs/dbraw/zinc/33/60/38/437336038.db2.gz MPWDSFBLKMXAID-CQSZACIVSA-N 1 1 346.497 0.803 20 30 ECEDMO N#CCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000329226792 437337770 /nfs/dbraw/zinc/33/77/70/437337770.db2.gz HQCJKKNJEZBQBM-HNNXBMFYSA-N 1 1 334.420 0.214 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)C2=O)C[C@H](C)O1 ZINC000329501088 437376387 /nfs/dbraw/zinc/37/63/87/437376387.db2.gz YNSVQPCHHKNZMU-HZSPNIEDSA-N 1 1 340.468 0.951 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)C2=O)C[C@H](C)O1 ZINC000329501088 437376391 /nfs/dbraw/zinc/37/63/91/437376391.db2.gz YNSVQPCHHKNZMU-HZSPNIEDSA-N 1 1 340.468 0.951 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000337160450 437338614 /nfs/dbraw/zinc/33/86/14/437338614.db2.gz SXUDYDRHLSHURN-ZIAGYGMSSA-N 1 1 332.470 0.413 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCCS(=O)(=O)C2)n1C ZINC000329794114 437415333 /nfs/dbraw/zinc/41/53/33/437415333.db2.gz VWTHLRNTHMJXTI-SNVBAGLBSA-N 1 1 329.426 0.067 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000338881244 437424085 /nfs/dbraw/zinc/42/40/85/437424085.db2.gz RBWJYXRNGFKMGI-KRWDZBQOSA-N 1 1 335.423 0.649 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CCO)c2ccco2)CC1 ZINC000185129485 437428248 /nfs/dbraw/zinc/42/82/48/437428248.db2.gz ZGEADXASYBHVQA-HOTGVXAUSA-N 1 1 348.447 0.985 20 30 ECEDMO N#CCC1(CS(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000329571663 437384651 /nfs/dbraw/zinc/38/46/51/437384651.db2.gz IZJSIZHKBYKCLH-AWEZNQCLSA-N 1 1 327.450 0.664 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2nc(N(C)C)no2)C[C@H](C)O1 ZINC000329682819 437400558 /nfs/dbraw/zinc/40/05/58/437400558.db2.gz XMJHFCRTVDUMAV-TXEJJXNPSA-N 1 1 340.428 0.591 20 30 ECEDMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2nc(N(C)C)no2)C[C@H](C)O1 ZINC000329682819 437400562 /nfs/dbraw/zinc/40/05/62/437400562.db2.gz XMJHFCRTVDUMAV-TXEJJXNPSA-N 1 1 340.428 0.591 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186530442 437475620 /nfs/dbraw/zinc/47/56/20/437475620.db2.gz PBJGLDDXEYQLNV-RCBQFDQVSA-N 1 1 335.379 0.888 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186530442 437475623 /nfs/dbraw/zinc/47/56/23/437475623.db2.gz PBJGLDDXEYQLNV-RCBQFDQVSA-N 1 1 335.379 0.888 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000330335016 437484853 /nfs/dbraw/zinc/48/48/53/437484853.db2.gz RCMLEUWLWUEQFW-BZPMIXESSA-N 1 1 329.466 0.892 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000330335016 437484854 /nfs/dbraw/zinc/48/48/54/437484854.db2.gz RCMLEUWLWUEQFW-BZPMIXESSA-N 1 1 329.466 0.892 20 30 ECEDMO CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000329958403 437438166 /nfs/dbraw/zinc/43/81/66/437438166.db2.gz QPKGJHNHIPMJKL-VNQPRFMTSA-N 1 1 349.435 0.759 20 30 ECEDMO CC(=O)N1CCC[C@H](CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000329998618 437443480 /nfs/dbraw/zinc/44/34/80/437443480.db2.gz SQQFZJSBZKSKLI-CQSZACIVSA-N 1 1 328.482 0.797 20 30 ECEDMO CC(C)[C@H](CNC(=O)NC[C@]1(O)CCSC1)[NH+]1CCOCC1 ZINC000330019896 437445678 /nfs/dbraw/zinc/44/56/78/437445678.db2.gz VUNQFBUOTPIXIA-DZGCQCFKSA-N 1 1 331.482 0.715 20 30 ECEDMO CCn1ncnc1CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000330034869 437447624 /nfs/dbraw/zinc/44/76/24/437447624.db2.gz WVTRGNQKMQMGPU-UHFFFAOYSA-N 1 1 346.439 0.653 20 30 ECEDMO CCn1ncnc1CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000330034869 437447628 /nfs/dbraw/zinc/44/76/28/437447628.db2.gz WVTRGNQKMQMGPU-UHFFFAOYSA-N 1 1 346.439 0.653 20 30 ECEDMO CN(CC(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000330045990 437448919 /nfs/dbraw/zinc/44/89/19/437448919.db2.gz ILJIVAQYFIKTFL-GXTWGEPZSA-N 1 1 349.522 0.499 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@]2(O)CCSC2)C1 ZINC000330098775 437453690 /nfs/dbraw/zinc/45/36/90/437453690.db2.gz ZHCYTNIUPVFIHF-HIFRSBDPSA-N 1 1 331.482 0.715 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000290002664 437456499 /nfs/dbraw/zinc/45/64/99/437456499.db2.gz CHRILTZFOGKERN-UHFFFAOYSA-N 1 1 347.400 0.158 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330409659 437503800 /nfs/dbraw/zinc/50/38/00/437503800.db2.gz YHTCNDIYNGDPLT-HZSPNIEDSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330409659 437503802 /nfs/dbraw/zinc/50/38/02/437503802.db2.gz YHTCNDIYNGDPLT-HZSPNIEDSA-N 1 1 332.470 0.100 20 30 ECEDMO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)co1 ZINC000330436537 437510075 /nfs/dbraw/zinc/51/00/75/437510075.db2.gz AWTFKQVCCNYQJI-LBPRGKRZSA-N 1 1 344.437 0.080 20 30 ECEDMO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)co1 ZINC000330436537 437510083 /nfs/dbraw/zinc/51/00/83/437510083.db2.gz AWTFKQVCCNYQJI-LBPRGKRZSA-N 1 1 344.437 0.080 20 30 ECEDMO N#C[C@H]1CCC[C@H]1NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000360069221 437514348 /nfs/dbraw/zinc/51/43/48/437514348.db2.gz CSLGOSCDUJMGCH-HZPDHXFCSA-N 1 1 337.468 0.368 20 30 ECEDMO N#Cc1c(N)n[nH]c1CCCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000354074350 437520231 /nfs/dbraw/zinc/52/02/31/437520231.db2.gz ZUUSFVHNDVFPPV-UHFFFAOYSA-N 1 1 326.408 1.110 20 30 ECEDMO COC(=O)C1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCCCC1 ZINC000330849247 437633877 /nfs/dbraw/zinc/63/38/77/437633877.db2.gz PGIHXKCSYVYABC-CQSZACIVSA-N 1 1 340.468 0.859 20 30 ECEDMO C[C@@H](CNC(=O)NCC(=O)NCC#N)[N@H+]1CCc2ccccc2C1 ZINC000343745624 437644591 /nfs/dbraw/zinc/64/45/91/437644591.db2.gz UBSGJZXLZMRYBZ-ZDUSSCGKSA-N 1 1 329.404 0.372 20 30 ECEDMO COc1c(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(C)nn1C ZINC000330903897 437646260 /nfs/dbraw/zinc/64/62/60/437646260.db2.gz UBJSYLCQNCKPIJ-RYUDHWBXSA-N 1 1 339.440 0.538 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC1 ZINC000343759715 437650021 /nfs/dbraw/zinc/65/00/21/437650021.db2.gz DHUVGFQLABSFGK-GOEBONIOSA-N 1 1 334.464 0.306 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000343776502 437653001 /nfs/dbraw/zinc/65/30/01/437653001.db2.gz YWIZQGSDMXYZPB-UHFFFAOYSA-N 1 1 345.447 0.882 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000330986335 437663688 /nfs/dbraw/zinc/66/36/88/437663688.db2.gz QAXDFSGDEVOHIF-GOEBONIOSA-N 1 1 339.484 0.384 20 30 ECEDMO COCC[NH+]1CCN(C(=O)NC[C@H]2CCCN(C(C)=O)C2)CC1 ZINC000331075841 437683250 /nfs/dbraw/zinc/68/32/50/437683250.db2.gz WCWZHPOOYBRGCV-OAHLLOKOSA-N 1 1 326.441 0.423 20 30 ECEDMO C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1 ZINC000331143515 437696780 /nfs/dbraw/zinc/69/67/80/437696780.db2.gz XWGDPGRALAXMTJ-KGLIPLIRSA-N 1 1 331.482 0.999 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1 ZINC000331143515 437696784 /nfs/dbraw/zinc/69/67/84/437696784.db2.gz XWGDPGRALAXMTJ-KGLIPLIRSA-N 1 1 331.482 0.999 20 30 ECEDMO C[C@H](CCNC(=O)N1CC[NH+](C2CCOCC2)CC1)[S@@](C)=O ZINC000331142503 437697299 /nfs/dbraw/zinc/69/72/99/437697299.db2.gz XVPMCRABKSLBDZ-MCMMXHMISA-N 1 1 331.482 0.854 20 30 ECEDMO CO[C@@H]1CN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C[C@@H]1OC ZINC000331113569 437692260 /nfs/dbraw/zinc/69/22/60/437692260.db2.gz MJJXUDMUTRLIAR-SOUVJXGZSA-N 1 1 328.457 0.130 20 30 ECEDMO CC(C)OC(=O)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000331223129 437720096 /nfs/dbraw/zinc/72/00/96/437720096.db2.gz LGLXLICVVQLXNF-KBPBESRZSA-N 1 1 327.425 0.895 20 30 ECEDMO N#CCCn1ccc(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000370352978 437769514 /nfs/dbraw/zinc/76/95/14/437769514.db2.gz HHXVZWOJZLZUBA-CABCVRRESA-N 1 1 346.435 1.250 20 30 ECEDMO COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCC([N@@H+](C)CCO)CC2)C1 ZINC000331254243 437727979 /nfs/dbraw/zinc/72/79/79/437727979.db2.gz WUTNIKMKOGVEDR-QWHCGFSZSA-N 1 1 327.425 0.631 20 30 ECEDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CC(=O)NCC#N)CC1 ZINC000344144047 437738283 /nfs/dbraw/zinc/73/82/83/437738283.db2.gz OIYAGHAIUISOCO-GFCCVEGCSA-N 1 1 330.454 0.008 20 30 ECEDMO C[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)n1cnc(C#N)n1 ZINC000344241462 437749527 /nfs/dbraw/zinc/74/95/27/437749527.db2.gz VSOMCDJUZGCRBN-AWEZNQCLSA-N 1 1 346.435 0.862 20 30 ECEDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000346843818 437820803 /nfs/dbraw/zinc/82/08/03/437820803.db2.gz XKIQLPVBKZWUAY-KGLIPLIRSA-N 1 1 336.436 0.412 20 30 ECEDMO N#CCCn1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000370603957 437809240 /nfs/dbraw/zinc/80/92/40/437809240.db2.gz NDTCKEGNUIEQRC-CABCVRRESA-N 1 1 346.435 1.562 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000365111246 437860205 /nfs/dbraw/zinc/86/02/05/437860205.db2.gz RCRQTPGENTYJTE-UHFFFAOYSA-N 1 1 349.439 0.465 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000342012531 437940653 /nfs/dbraw/zinc/94/06/53/437940653.db2.gz XHQKOOZYOBAWEU-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000424535627 437970026 /nfs/dbraw/zinc/97/00/26/437970026.db2.gz AQTSLAHTYWMZQX-NWANDNLSSA-N 1 1 327.388 0.363 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371728969 437983167 /nfs/dbraw/zinc/98/31/67/437983167.db2.gz WSQWQXJIGJIBLW-ZNMIVQPWSA-N 1 1 341.477 0.713 20 30 ECEDMO N#Cc1c2c(cnc1NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000425220022 438018184 /nfs/dbraw/zinc/01/81/84/438018184.db2.gz CRRCNOXCJZDZLH-CQSZACIVSA-N 1 1 327.432 1.441 20 30 ECEDMO C=CCn1cc(CNC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)nn1 ZINC000425883569 438046672 /nfs/dbraw/zinc/04/66/72/438046672.db2.gz VTCXSFNLANMSKW-UHFFFAOYSA-N 1 1 349.483 0.679 20 30 ECEDMO C[NH+]1CCN(C2(C(=O)Nc3ccn(CCC#N)n3)CCCC2)CC1 ZINC000371818790 437996458 /nfs/dbraw/zinc/99/64/58/437996458.db2.gz LNLYJQAYYZHXGA-UHFFFAOYSA-N 1 1 330.436 1.295 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)CCC1 ZINC000357569638 438011499 /nfs/dbraw/zinc/01/14/99/438011499.db2.gz FDQYXWNVIHHKSI-UHFFFAOYSA-N 1 1 327.450 0.807 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000357885057 438089701 /nfs/dbraw/zinc/08/97/01/438089701.db2.gz DZHXCPDUDKPPDA-OCCSQVGLSA-N 1 1 330.454 0.041 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000357885057 438089708 /nfs/dbraw/zinc/08/97/08/438089708.db2.gz DZHXCPDUDKPPDA-OCCSQVGLSA-N 1 1 330.454 0.041 20 30 ECEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)c1ccccc1 ZINC000366438640 438074696 /nfs/dbraw/zinc/07/46/96/438074696.db2.gz LSIUMFDUZUWPBA-CABCVRRESA-N 1 1 340.383 0.528 20 30 ECEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)c1ccccc1 ZINC000366438640 438074699 /nfs/dbraw/zinc/07/46/99/438074699.db2.gz LSIUMFDUZUWPBA-CABCVRRESA-N 1 1 340.383 0.528 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000430377086 438110717 /nfs/dbraw/zinc/11/07/17/438110717.db2.gz NRPWGYJUNLRGCB-WCVJEAGWSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)NCC)C1 ZINC000373128621 438129854 /nfs/dbraw/zinc/12/98/54/438129854.db2.gz ZVNPICLDKRUEHN-OLZOCXBDSA-N 1 1 346.435 0.868 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)NCC)C1 ZINC000373128621 438129859 /nfs/dbraw/zinc/12/98/59/438129859.db2.gz ZVNPICLDKRUEHN-OLZOCXBDSA-N 1 1 346.435 0.868 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366829605 438132951 /nfs/dbraw/zinc/13/29/51/438132951.db2.gz JGFZHVZZAREFBO-CQSZACIVSA-N 1 1 341.419 0.894 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366829605 438132953 /nfs/dbraw/zinc/13/29/53/438132953.db2.gz JGFZHVZZAREFBO-CQSZACIVSA-N 1 1 341.419 0.894 20 30 ECEDMO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349906710 438187105 /nfs/dbraw/zinc/18/71/05/438187105.db2.gz HETDMVJKPOAMMK-INIZCTEOSA-N 1 1 335.408 0.036 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000373532561 438156692 /nfs/dbraw/zinc/15/66/92/438156692.db2.gz IRNIUXXKMUZKDI-KPZWWZAWSA-N 1 1 342.399 0.983 20 30 ECEDMO C=CCCS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000367155568 438174047 /nfs/dbraw/zinc/17/40/47/438174047.db2.gz FJXOKSCNRPGBIZ-AGUYFDCRSA-N 1 1 329.466 0.566 20 30 ECEDMO C=CCCS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000367155568 438174050 /nfs/dbraw/zinc/17/40/50/438174050.db2.gz FJXOKSCNRPGBIZ-AGUYFDCRSA-N 1 1 329.466 0.566 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000374460634 438211733 /nfs/dbraw/zinc/21/17/33/438211733.db2.gz GYJANJVFJATXSZ-CQSZACIVSA-N 1 1 330.454 0.263 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000374472341 438212347 /nfs/dbraw/zinc/21/23/47/438212347.db2.gz PUALDJAEQZKOKJ-UHFFFAOYSA-N 1 1 331.420 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000375626960 438257870 /nfs/dbraw/zinc/25/78/70/438257870.db2.gz VBNLMKTUVCZVLZ-JSGCOSHPSA-N 1 1 333.392 0.489 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000375626960 438257877 /nfs/dbraw/zinc/25/78/77/438257877.db2.gz VBNLMKTUVCZVLZ-JSGCOSHPSA-N 1 1 333.392 0.489 20 30 ECEDMO COCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000376276640 438276730 /nfs/dbraw/zinc/27/67/30/438276730.db2.gz WOGYDDXPMIQYHE-UHFFFAOYSA-N 1 1 327.406 0.884 20 30 ECEDMO COCCC[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000376276640 438276734 /nfs/dbraw/zinc/27/67/34/438276734.db2.gz WOGYDDXPMIQYHE-UHFFFAOYSA-N 1 1 327.406 0.884 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC(=O)NCC#N ZINC000376566154 438285171 /nfs/dbraw/zinc/28/51/71/438285171.db2.gz SBNBXTNNASYHMR-DZGCQCFKSA-N 1 1 329.404 0.446 20 30 ECEDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)N(CCC#N)CCOC ZINC000368144449 438292273 /nfs/dbraw/zinc/29/22/73/438292273.db2.gz ZGIQXMUAQQOEDT-AWEZNQCLSA-N 1 1 332.470 0.509 20 30 ECEDMO C#CC[C@@H](C)NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000377911471 438332712 /nfs/dbraw/zinc/33/27/12/438332712.db2.gz KONAWQYGQNVJHC-OAHLLOKOSA-N 1 1 334.464 0.984 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000368788918 438379625 /nfs/dbraw/zinc/37/96/25/438379625.db2.gz ALAFNVLGQIVDHN-QGZVFWFLSA-N 1 1 328.372 0.594 20 30 ECEDMO CNC(=O)CN1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000368828255 438384446 /nfs/dbraw/zinc/38/44/46/438384446.db2.gz DZPRIYJWOAOUDT-INIZCTEOSA-N 1 1 346.431 0.052 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000352570045 438444417 /nfs/dbraw/zinc/44/44/17/438444417.db2.gz BDHOHXKDJDCOKY-KBPBESRZSA-N 1 1 329.466 0.377 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000352570045 438444421 /nfs/dbraw/zinc/44/44/21/438444421.db2.gz BDHOHXKDJDCOKY-KBPBESRZSA-N 1 1 329.466 0.377 20 30 ECEDMO CN1C(=O)CSC12CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000378622743 438409457 /nfs/dbraw/zinc/40/94/57/438409457.db2.gz OHWMWGPJSWWHIJ-UHFFFAOYSA-N 1 1 349.460 0.640 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N1CCN(C)[C@@H](C#N)C1 ZINC000369588973 438492634 /nfs/dbraw/zinc/49/26/34/438492634.db2.gz UBWPNYSDMPPMTP-QZWWFDLISA-N 1 1 349.479 0.725 20 30 ECEDMO CC[N@H+]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H](C)C1 ZINC000352674328 438459621 /nfs/dbraw/zinc/45/96/21/438459621.db2.gz PTWLDJIXFYEQOE-IAGOWNOFSA-N 1 1 335.496 0.705 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC000353497176 438506625 /nfs/dbraw/zinc/50/66/25/438506625.db2.gz DFDCJGYPGBIUMW-LSDHHAIUSA-N 1 1 338.452 0.612 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)CC2(C)C)CC1 ZINC000408100020 438511828 /nfs/dbraw/zinc/51/18/28/438511828.db2.gz OYSHKMDMFIVOCI-MRXNPFEDSA-N 1 1 335.496 0.705 20 30 ECEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H]1C ZINC000441101992 438576617 /nfs/dbraw/zinc/57/66/17/438576617.db2.gz LPHNIDIWGQSVQH-CHWSQXEVSA-N 1 1 332.408 0.676 20 30 ECEDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H]1C ZINC000441101992 438576619 /nfs/dbraw/zinc/57/66/19/438576619.db2.gz LPHNIDIWGQSVQH-CHWSQXEVSA-N 1 1 332.408 0.676 20 30 ECEDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@@H]1C ZINC000441115890 438576692 /nfs/dbraw/zinc/57/66/92/438576692.db2.gz QIAGXBMOFPDGLZ-KBPBESRZSA-N 1 1 346.435 0.985 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@@H]1C ZINC000441115890 438576693 /nfs/dbraw/zinc/57/66/93/438576693.db2.gz QIAGXBMOFPDGLZ-KBPBESRZSA-N 1 1 346.435 0.985 20 30 ECEDMO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)N(CCC#N)CCOC ZINC000451931598 438617625 /nfs/dbraw/zinc/61/76/25/438617625.db2.gz LKXPLJAWPDWPBI-AWEZNQCLSA-N 1 1 332.470 0.509 20 30 ECEDMO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)N(CCC#N)CCOC ZINC000451931598 438617630 /nfs/dbraw/zinc/61/76/30/438617630.db2.gz LKXPLJAWPDWPBI-AWEZNQCLSA-N 1 1 332.470 0.509 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000452110442 438642761 /nfs/dbraw/zinc/64/27/61/438642761.db2.gz ZBYJJHPTXSUVQX-CVEARBPZSA-N 1 1 334.416 0.731 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000452110442 438642764 /nfs/dbraw/zinc/64/27/64/438642764.db2.gz ZBYJJHPTXSUVQX-CVEARBPZSA-N 1 1 334.416 0.731 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444384333 438661383 /nfs/dbraw/zinc/66/13/83/438661383.db2.gz LRQOPXIAKAGGSV-CQSZACIVSA-N 1 1 347.463 0.871 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000410824828 438663322 /nfs/dbraw/zinc/66/33/22/438663322.db2.gz NCSQLNHGHYTPLJ-ZBFHGGJFSA-N 1 1 331.416 0.999 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410836337 438665306 /nfs/dbraw/zinc/66/53/06/438665306.db2.gz QUNKIEYTQXLWLN-UHFFFAOYSA-N 1 1 325.453 0.838 20 30 ECEDMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)CC12COC2 ZINC000451123226 438696389 /nfs/dbraw/zinc/69/63/89/438696389.db2.gz CEOKNIPDFSJBML-CQSZACIVSA-N 1 1 349.431 0.841 20 30 ECEDMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC12COC2 ZINC000451123226 438696392 /nfs/dbraw/zinc/69/63/92/438696392.db2.gz CEOKNIPDFSJBML-CQSZACIVSA-N 1 1 349.431 0.841 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000494568906 438697369 /nfs/dbraw/zinc/69/73/69/438697369.db2.gz AZDGWYIFHKWJFW-JYJNAYRXSA-N 1 1 334.416 0.729 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000494568906 438697372 /nfs/dbraw/zinc/69/73/72/438697372.db2.gz AZDGWYIFHKWJFW-JYJNAYRXSA-N 1 1 334.416 0.729 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)CC1(CC#N)CC1 ZINC000451556277 438699741 /nfs/dbraw/zinc/69/97/41/438699741.db2.gz LLCHARLRRRUYSG-UHFFFAOYSA-N 1 1 330.498 0.825 20 30 ECEDMO CN(CCCN(C)S(=O)(=O)CC1(CC#N)CC1)CC[NH+](C)C ZINC000451556277 438699744 /nfs/dbraw/zinc/69/97/44/438699744.db2.gz LLCHARLRRRUYSG-UHFFFAOYSA-N 1 1 330.498 0.825 20 30 ECEDMO Cc1cccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1C#N ZINC000451664858 438704589 /nfs/dbraw/zinc/70/45/89/438704589.db2.gz CHICVMQLKFCTDK-AWEZNQCLSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1C#N ZINC000451664858 438704592 /nfs/dbraw/zinc/70/45/92/438704592.db2.gz CHICVMQLKFCTDK-AWEZNQCLSA-N 1 1 337.445 0.992 20 30 ECEDMO CN1CC[NH+](Cc2ccc(C(=O)N[C@@]3(C#N)CCOC3)cc2)CC1 ZINC000547812473 438719978 /nfs/dbraw/zinc/71/99/78/438719978.db2.gz FDDDICUUGPAHPC-GOSISDBHSA-N 1 1 328.416 0.846 20 30 ECEDMO N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000548884162 438734943 /nfs/dbraw/zinc/73/49/43/438734943.db2.gz WTBBODNEZYXQPL-INIZCTEOSA-N 1 1 339.443 0.855 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CC#N)CCOC)CC1=O ZINC000457180125 438798076 /nfs/dbraw/zinc/79/80/76/438798076.db2.gz GUOVLPXCKDCGEE-HUUCEWRRSA-N 1 1 336.436 0.318 20 30 ECEDMO COCCN(CC#N)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000457187351 438798979 /nfs/dbraw/zinc/79/89/79/438798979.db2.gz ZGMGOQACLZVXCM-UHFFFAOYSA-N 1 1 330.432 0.803 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCCCCN1CC[NH+](C)CC1 ZINC000554521019 438766682 /nfs/dbraw/zinc/76/66/82/438766682.db2.gz IORVUWOSDADPMA-UHFFFAOYSA-N 1 1 331.486 0.084 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000576412255 438782227 /nfs/dbraw/zinc/78/22/27/438782227.db2.gz MAOMPBQRYGUJKU-GJZGRUSLSA-N 1 1 344.481 0.509 20 30 ECEDMO C[C@H]1NC(=O)N(CC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000577348112 438833804 /nfs/dbraw/zinc/83/38/04/438833804.db2.gz SXUGBZZMMLJFSD-DGCLKSJQSA-N 1 1 329.360 0.347 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1cccc(CC#N)c1 ZINC000588903545 438848170 /nfs/dbraw/zinc/84/81/70/438848170.db2.gz HAEYYZVEWFVZSL-UHFFFAOYSA-N 1 1 338.477 0.914 20 30 ECEDMO CN(CCCNS(=O)(=O)c1cccc(CC#N)c1)CC[NH+](C)C ZINC000588903545 438848174 /nfs/dbraw/zinc/84/81/74/438848174.db2.gz HAEYYZVEWFVZSL-UHFFFAOYSA-N 1 1 338.477 0.914 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)n(CCC#N)n1 ZINC000562351462 438850911 /nfs/dbraw/zinc/85/09/11/438850911.db2.gz QJLJHYXVTKVURZ-CQSZACIVSA-N 1 1 346.435 0.842 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)n(CCC#N)n1 ZINC000562351462 438850913 /nfs/dbraw/zinc/85/09/13/438850913.db2.gz QJLJHYXVTKVURZ-CQSZACIVSA-N 1 1 346.435 0.842 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N(C)Cc1cccc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000589139091 438857142 /nfs/dbraw/zinc/85/71/42/438857142.db2.gz OBJBMWCLDLMMGJ-CZUORRHYSA-N 1 1 344.415 0.352 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N(C)Cc1cccc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000589139091 438857149 /nfs/dbraw/zinc/85/71/49/438857149.db2.gz OBJBMWCLDLMMGJ-CZUORRHYSA-N 1 1 344.415 0.352 20 30 ECEDMO N#Cc1cc(O)cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000589174221 438860444 /nfs/dbraw/zinc/86/04/44/438860444.db2.gz NANLZWAKHMJSAQ-MRXNPFEDSA-N 1 1 342.399 0.818 20 30 ECEDMO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000589837195 438887918 /nfs/dbraw/zinc/88/79/18/438887918.db2.gz LMGDLOLZSXRRRW-AWEZNQCLSA-N 1 1 333.367 0.593 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000601469759 438908969 /nfs/dbraw/zinc/90/89/69/438908969.db2.gz LEIGDRYYCCSTQN-MRXNPFEDSA-N 1 1 349.456 0.972 20 30 ECEDMO N#CCCN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000601596730 438938982 /nfs/dbraw/zinc/93/89/82/438938982.db2.gz WKLHLQJZXQHDPF-SJORKVTESA-N 1 1 349.479 0.871 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1 ZINC000459700265 438989012 /nfs/dbraw/zinc/98/90/12/438989012.db2.gz NQNRHLPKVXVHPJ-WBVHZDCISA-N 1 1 331.416 0.835 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1 ZINC000459700265 438989018 /nfs/dbraw/zinc/98/90/18/438989018.db2.gz NQNRHLPKVXVHPJ-WBVHZDCISA-N 1 1 331.416 0.835 20 30 ECEDMO CCC[N@H+]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 ZINC000596882104 439012229 /nfs/dbraw/zinc/01/22/29/439012229.db2.gz ORGTYTQRXUBDIE-LBPRGKRZSA-N 1 1 333.440 0.922 20 30 ECEDMO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](CO)O1 ZINC000591475978 439019177 /nfs/dbraw/zinc/01/91/77/439019177.db2.gz HCAPFVKBHIFARF-NVXWUHKLSA-N 1 1 334.416 0.964 20 30 ECEDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](CO)O1 ZINC000591475978 439019180 /nfs/dbraw/zinc/01/91/80/439019180.db2.gz HCAPFVKBHIFARF-NVXWUHKLSA-N 1 1 334.416 0.964 20 30 ECEDMO N#CCC(=O)N1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000579731160 439032822 /nfs/dbraw/zinc/03/28/22/439032822.db2.gz ZLFKAWASZZOGTN-UHFFFAOYSA-N 1 1 331.376 0.468 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000597471681 439104992 /nfs/dbraw/zinc/10/49/92/439104992.db2.gz YXXNNYIWUQDOSI-ZFWWWQNUSA-N 1 1 339.436 0.553 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000597471681 439104998 /nfs/dbraw/zinc/10/49/98/439104998.db2.gz YXXNNYIWUQDOSI-ZFWWWQNUSA-N 1 1 339.436 0.553 20 30 ECEDMO COC(=O)c1ccc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c(C#N)n1 ZINC000521272134 439113144 /nfs/dbraw/zinc/11/31/44/439113144.db2.gz RWYXISUVPIIOFO-AWEZNQCLSA-N 1 1 331.376 0.492 20 30 ECEDMO COc1cc(C#N)ccc1OCC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000602871654 439150263 /nfs/dbraw/zinc/15/02/63/439150263.db2.gz TTWUZVQDTBBWFP-UHFFFAOYSA-N 1 1 328.376 0.886 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C[C@H]2CO)CC1 ZINC000602931833 439164884 /nfs/dbraw/zinc/16/48/84/439164884.db2.gz UKKPCXDQDJUMIZ-IKGGRYGDSA-N 1 1 336.480 0.772 20 30 ECEDMO N#CCNCc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000603262822 439222833 /nfs/dbraw/zinc/22/28/33/439222833.db2.gz YGNNOKQPNIYHSV-QGZVFWFLSA-N 1 1 326.404 0.528 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000592184181 439174284 /nfs/dbraw/zinc/17/42/84/439174284.db2.gz FJEJHUTWMZCFJQ-KBPBESRZSA-N 1 1 346.353 0.795 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000592184181 439174289 /nfs/dbraw/zinc/17/42/89/439174289.db2.gz FJEJHUTWMZCFJQ-KBPBESRZSA-N 1 1 346.353 0.795 20 30 ECEDMO CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000603153783 439197557 /nfs/dbraw/zinc/19/75/57/439197557.db2.gz CKXFOFBEFOUZAJ-SFHVURJKSA-N 1 1 341.459 0.843 20 30 ECEDMO CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCOC1 ZINC000581344231 439202181 /nfs/dbraw/zinc/20/21/81/439202181.db2.gz PBINKNRIJBOEFR-CQSZACIVSA-N 1 1 347.419 0.614 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000592375942 439214771 /nfs/dbraw/zinc/21/47/71/439214771.db2.gz VBZGOPNTBYLBFW-AWEZNQCLSA-N 1 1 348.428 0.143 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2ncnc(N3CCOCC3)c2C1 ZINC000598588800 439281394 /nfs/dbraw/zinc/28/13/94/439281394.db2.gz COMDNGSFGSLIIH-AWEZNQCLSA-N 1 1 345.447 0.972 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2ncnc(N3CCOCC3)c2C1 ZINC000598588800 439281399 /nfs/dbraw/zinc/28/13/99/439281399.db2.gz COMDNGSFGSLIIH-AWEZNQCLSA-N 1 1 345.447 0.972 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCN1c1nccn2cnnc12 ZINC000598597762 439284977 /nfs/dbraw/zinc/28/49/77/439284977.db2.gz HQSMRHDMHXGBKU-KGLIPLIRSA-N 1 1 343.435 0.936 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1C#N ZINC000489812136 439241344 /nfs/dbraw/zinc/24/13/44/439241344.db2.gz QMOAQIWINDGMIW-GFCCVEGCSA-N 1 1 338.433 0.339 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCC[N@H+]([C@H](C)CO)CC2)cc1C#N ZINC000489812136 439241349 /nfs/dbraw/zinc/24/13/49/439241349.db2.gz QMOAQIWINDGMIW-GFCCVEGCSA-N 1 1 338.433 0.339 20 30 ECEDMO C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000489810136 439242020 /nfs/dbraw/zinc/24/20/20/439242020.db2.gz QQZLZPZTTYUPFG-LBPRGKRZSA-N 1 1 341.408 0.775 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000489810136 439242024 /nfs/dbraw/zinc/24/20/24/439242024.db2.gz QQZLZPZTTYUPFG-LBPRGKRZSA-N 1 1 341.408 0.775 20 30 ECEDMO Cc1cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc(C#N)n1 ZINC000603423925 439259070 /nfs/dbraw/zinc/25/90/70/439259070.db2.gz RJNJGCKLEQIZRV-INIZCTEOSA-N 1 1 329.448 0.892 20 30 ECEDMO N#CCCCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603428129 439260021 /nfs/dbraw/zinc/26/00/21/439260021.db2.gz KIOCRQSXBZKPGA-MRXNPFEDSA-N 1 1 337.468 0.776 20 30 ECEDMO C#CCN(C(=S)NC[C@H]1CCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC000490556630 439273374 /nfs/dbraw/zinc/27/33/74/439273374.db2.gz OFADBYHXTZONSY-KGLIPLIRSA-N 1 1 343.518 0.468 20 30 ECEDMO C#CCN(C(=S)NC[C@H]1CCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC000490556630 439273377 /nfs/dbraw/zinc/27/33/77/439273377.db2.gz OFADBYHXTZONSY-KGLIPLIRSA-N 1 1 343.518 0.468 20 30 ECEDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000569333056 439322272 /nfs/dbraw/zinc/32/22/72/439322272.db2.gz PGDAOPMJXDUTNS-AEFFLSMTSA-N 1 1 346.475 0.718 20 30 ECEDMO C#CCNC(=O)C1CC[NH+]([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000491066993 439327891 /nfs/dbraw/zinc/32/78/91/439327891.db2.gz FSJIHDGGONIIHX-LBPRGKRZSA-N 1 1 331.338 0.611 20 30 ECEDMO C[NH+]1CCN([C@@H](C(=O)N2CC[C@](O)(CC#N)C2)c2ccccc2)CC1 ZINC000592842206 439287693 /nfs/dbraw/zinc/28/76/93/439287693.db2.gz YZJQZIUBJIRQGL-IEBWSBKVSA-N 1 1 342.443 0.852 20 30 ECEDMO C#CCN(CC#CC)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000490678489 439287852 /nfs/dbraw/zinc/28/78/52/439287852.db2.gz OEKGYOYBGMMCHU-MRXNPFEDSA-N 1 1 332.448 0.597 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)CCc2ccccc2OC)CC1 ZINC000490761750 439296378 /nfs/dbraw/zinc/29/63/78/439296378.db2.gz WJWDRKCYXAWICY-UHFFFAOYSA-N 1 1 329.444 0.947 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)CCc2ccccc2OC)CC1 ZINC000490761750 439296383 /nfs/dbraw/zinc/29/63/83/439296383.db2.gz WJWDRKCYXAWICY-UHFFFAOYSA-N 1 1 329.444 0.947 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)CC1 ZINC000490853822 439305896 /nfs/dbraw/zinc/30/58/96/439305896.db2.gz UUZLIHYGUNJCEF-ROUUACIJSA-N 1 1 348.491 0.485 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)CC1 ZINC000490853822 439305901 /nfs/dbraw/zinc/30/59/01/439305901.db2.gz UUZLIHYGUNJCEF-ROUUACIJSA-N 1 1 348.491 0.485 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000490891285 439308205 /nfs/dbraw/zinc/30/82/05/439308205.db2.gz CIGRORYYCFJBOB-SUMWQHHRSA-N 1 1 333.388 0.348 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000490898979 439310230 /nfs/dbraw/zinc/31/02/30/439310230.db2.gz MUULKJAJMQVBBN-UONOGXRCSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000490898979 439310234 /nfs/dbraw/zinc/31/02/34/439310234.db2.gz MUULKJAJMQVBBN-UONOGXRCSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OCC ZINC000491266952 439360455 /nfs/dbraw/zinc/36/04/55/439360455.db2.gz RJLJXMONPNJVKE-CVEARBPZSA-N 1 1 337.464 0.903 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000491179843 439344272 /nfs/dbraw/zinc/34/42/72/439344272.db2.gz IDBQMCMDGKKJKQ-STQMWFEESA-N 1 1 334.338 0.890 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000491202898 439349099 /nfs/dbraw/zinc/34/90/99/439349099.db2.gz QULWNFIRZUOFRX-UHFFFAOYSA-N 1 1 348.432 0.111 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000491327590 439366211 /nfs/dbraw/zinc/36/62/11/439366211.db2.gz WTUFAYXRNDLRPE-INIZCTEOSA-N 1 1 349.479 0.921 20 30 ECEDMO N#CC1(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCC1 ZINC000593351522 439371696 /nfs/dbraw/zinc/37/16/96/439371696.db2.gz ZHKWZSSPJMVKAK-AWEZNQCLSA-N 1 1 335.452 0.957 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C ZINC000491393120 439376098 /nfs/dbraw/zinc/37/60/98/439376098.db2.gz GJRWNWRRVULTNQ-UHFFFAOYSA-N 1 1 328.376 0.361 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCc1cccc(OCC(=O)NC)c1 ZINC000491507773 439396162 /nfs/dbraw/zinc/39/61/62/439396162.db2.gz WZSRUAUFTTYGEF-UHFFFAOYSA-N 1 1 346.431 0.566 20 30 ECEDMO CC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](C)CS(C)(=O)=O ZINC000599293366 439421651 /nfs/dbraw/zinc/42/16/51/439421651.db2.gz WCCSDDGNACAPGG-KBPBESRZSA-N 1 1 332.466 0.813 20 30 ECEDMO CC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](C)CS(C)(=O)=O ZINC000599293366 439421657 /nfs/dbraw/zinc/42/16/57/439421657.db2.gz WCCSDDGNACAPGG-KBPBESRZSA-N 1 1 332.466 0.813 20 30 ECEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2CN2CCOCC2)CCOCC1 ZINC000599299380 439423154 /nfs/dbraw/zinc/42/31/54/439423154.db2.gz FHLAZDJSZXCTCS-DLBZAZTESA-N 1 1 337.464 0.854 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@]2(CO)CCOc3ccccc32)CC1 ZINC000491671487 439423307 /nfs/dbraw/zinc/42/33/07/439423307.db2.gz FUHCUESJMCBLAU-IBGZPJMESA-N 1 1 343.427 0.024 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CCC(=O)NC)CC1 ZINC000491707869 439433573 /nfs/dbraw/zinc/43/35/73/439433573.db2.gz PCPQAIYYGKGLBG-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599329869 439435405 /nfs/dbraw/zinc/43/54/05/439435405.db2.gz FUOFYQOCOBEILE-ZIAGYGMSSA-N 1 1 345.465 0.071 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000491725064 439435942 /nfs/dbraw/zinc/43/59/42/439435942.db2.gz CUBIMELJYWPBHW-HUUCEWRRSA-N 1 1 341.477 0.693 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000491725064 439435946 /nfs/dbraw/zinc/43/59/46/439435946.db2.gz CUBIMELJYWPBHW-HUUCEWRRSA-N 1 1 341.477 0.693 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)S(=O)(=O)[C@H](CC)C1 ZINC000491751069 439441522 /nfs/dbraw/zinc/44/15/22/439441522.db2.gz XGPFQPAPAIAKNT-ZIAGYGMSSA-N 1 1 329.466 0.549 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C)S(=O)(=O)[C@H](CC)C1 ZINC000491751069 439441526 /nfs/dbraw/zinc/44/15/26/439441526.db2.gz XGPFQPAPAIAKNT-ZIAGYGMSSA-N 1 1 329.466 0.549 20 30 ECEDMO C#CCn1ccc(C[N@H+](CCOC)CCC(=O)N2CCOCC2)n1 ZINC000491784760 439451812 /nfs/dbraw/zinc/45/18/12/439451812.db2.gz LTSMCJRIGQJMDC-UHFFFAOYSA-N 1 1 334.420 0.214 20 30 ECEDMO C#CCn1ccc(C[N@@H+](CCOC)CCC(=O)N2CCOCC2)n1 ZINC000491784760 439451821 /nfs/dbraw/zinc/45/18/21/439451821.db2.gz LTSMCJRIGQJMDC-UHFFFAOYSA-N 1 1 334.420 0.214 20 30 ECEDMO COC(=O)CN1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000599381664 439452104 /nfs/dbraw/zinc/45/21/04/439452104.db2.gz NBJOUAKQIKBGHX-OAHLLOKOSA-N 1 1 333.388 0.089 20 30 ECEDMO C[C@H](C[NH3+])NC(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593773670 439463433 /nfs/dbraw/zinc/46/34/33/439463433.db2.gz HQIJXTLMPMHKIT-CYBMUJFWSA-N 1 1 343.431 0.102 20 30 ECEDMO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599475075 439484275 /nfs/dbraw/zinc/48/42/75/439484275.db2.gz ZUQBYQBFNHYISR-YOEHRIQHSA-N 1 1 340.420 0.712 20 30 ECEDMO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599475075 439484277 /nfs/dbraw/zinc/48/42/77/439484277.db2.gz ZUQBYQBFNHYISR-YOEHRIQHSA-N 1 1 340.420 0.712 20 30 ECEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1)C1CC1 ZINC000530756949 439502434 /nfs/dbraw/zinc/50/24/34/439502434.db2.gz WRBANXYYASHHCC-SJORKVTESA-N 1 1 347.419 0.105 20 30 ECEDMO N#Cc1csc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000531117857 439506782 /nfs/dbraw/zinc/50/67/82/439506782.db2.gz RFIHSUHGTPHMMW-KBPBESRZSA-N 1 1 341.458 0.207 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000491820792 439457161 /nfs/dbraw/zinc/45/71/61/439457161.db2.gz SQWAHJIHUSYBOX-IBGZPJMESA-N 1 1 349.475 0.818 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)n(CCC#N)n1 ZINC000532566954 439519164 /nfs/dbraw/zinc/51/91/64/439519164.db2.gz XTHUSNQLPUZYJW-SMDDNHRTSA-N 1 1 344.419 0.643 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COC[C@H]1CCCO1 ZINC000535545370 439535899 /nfs/dbraw/zinc/53/58/99/439535899.db2.gz IWNMZYLLBNBEDY-QWHCGFSZSA-N 1 1 337.424 0.284 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000531812186 439513194 /nfs/dbraw/zinc/51/31/94/439513194.db2.gz KWAILLIBTLJEPI-HOCLYGCPSA-N 1 1 349.479 0.099 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC[N@H+]3CCOC[C@H]3C)CC2)c1C#N ZINC000532296201 439516005 /nfs/dbraw/zinc/51/60/05/439516005.db2.gz MGVJCKQWPCSROX-CQSZACIVSA-N 1 1 332.452 0.443 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC[N@@H+]3CCOC[C@H]3C)CC2)c1C#N ZINC000532296201 439516009 /nfs/dbraw/zinc/51/60/09/439516009.db2.gz MGVJCKQWPCSROX-CQSZACIVSA-N 1 1 332.452 0.443 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](CCN3CCOC[C@H]3C)CC2)c1C#N ZINC000532296201 439516013 /nfs/dbraw/zinc/51/60/13/439516013.db2.gz MGVJCKQWPCSROX-CQSZACIVSA-N 1 1 332.452 0.443 20 30 ECEDMO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H](C)O1 ZINC000599604290 439516619 /nfs/dbraw/zinc/51/66/19/439516619.db2.gz GCZYADRSOJONKM-RDBSUJKOSA-N 1 1 326.393 0.320 20 30 ECEDMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H](C)O1 ZINC000599604290 439516620 /nfs/dbraw/zinc/51/66/20/439516620.db2.gz GCZYADRSOJONKM-RDBSUJKOSA-N 1 1 326.393 0.320 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](NC(=O)NC3CCN(CC#N)CC3)C2)CC1 ZINC000609639795 439583248 /nfs/dbraw/zinc/58/32/48/439583248.db2.gz FFHKLKUESKGEMN-INIZCTEOSA-N 1 1 348.495 0.442 20 30 ECEDMO C[NH+]1CCC(N2CC[C@H](NC(=O)NC3CCN(CC#N)CC3)C2)CC1 ZINC000609639795 439583253 /nfs/dbraw/zinc/58/32/53/439583253.db2.gz FFHKLKUESKGEMN-INIZCTEOSA-N 1 1 348.495 0.442 20 30 ECEDMO COc1cc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)c(F)cc1C#N ZINC000599967652 439587399 /nfs/dbraw/zinc/58/73/99/439587399.db2.gz DCMAJSUKIWDZHF-UHFFFAOYSA-N 1 1 334.351 0.809 20 30 ECEDMO N#CCN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000610397018 439613796 /nfs/dbraw/zinc/61/37/96/439613796.db2.gz JPAFVFKNXAEXQX-KRWDZBQOSA-N 1 1 327.432 0.961 20 30 ECEDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000595194630 439672148 /nfs/dbraw/zinc/67/21/48/439672148.db2.gz RDSMOTPAAPLLMZ-ZDUSSCGKSA-N 1 1 346.435 1.049 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC[N@H+]1C ZINC000586859753 439664315 /nfs/dbraw/zinc/66/43/15/439664315.db2.gz HVXGOPBLVBQPMV-BXUZGUMPSA-N 1 1 332.379 0.912 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000595181200 439670535 /nfs/dbraw/zinc/67/05/35/439670535.db2.gz BOKDENRPYOEJOX-KBPBESRZSA-N 1 1 325.478 0.965 20 30 ECEDMO N#CCC1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000611620016 439711787 /nfs/dbraw/zinc/71/17/87/439711787.db2.gz GEAWNGXOPGLLAN-KRWDZBQOSA-N 1 1 349.479 0.728 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595383687 439718906 /nfs/dbraw/zinc/71/89/06/439718906.db2.gz CCODAWLHMAPFGQ-QGZVFWFLSA-N 1 1 349.456 0.919 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595383282 439719028 /nfs/dbraw/zinc/71/90/28/439719028.db2.gz BRXBAXYMURWADO-MRXNPFEDSA-N 1 1 349.456 0.972 20 30 ECEDMO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611175150 439677989 /nfs/dbraw/zinc/67/79/89/439677989.db2.gz XJDZNWRMNHFQMW-MRXNPFEDSA-N 1 1 347.415 0.744 20 30 ECEDMO N#CCCN1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000611176315 439678165 /nfs/dbraw/zinc/67/81/65/439678165.db2.gz ZKMVDBYUGPSWMX-HNNXBMFYSA-N 1 1 334.376 0.866 20 30 ECEDMO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175833 439678300 /nfs/dbraw/zinc/67/83/00/439678300.db2.gz YCZYNMIAPDJCGL-HNNXBMFYSA-N 1 1 349.431 0.975 20 30 ECEDMO COC(=O)Cn1cc(CC[NH+]2CCN([C@H](C#N)C(C)C)CC2)nn1 ZINC000611432213 439697539 /nfs/dbraw/zinc/69/75/39/439697539.db2.gz PKVLDFXQBOTAFK-OAHLLOKOSA-N 1 1 334.424 0.159 20 30 ECEDMO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccnc(C#N)c1 ZINC000613022960 439749006 /nfs/dbraw/zinc/74/90/06/439749006.db2.gz FPUPDMZFPOFGFL-OAHLLOKOSA-N 1 1 331.420 0.935 20 30 ECEDMO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccnc(C#N)c1 ZINC000613022960 439749007 /nfs/dbraw/zinc/74/90/07/439749007.db2.gz FPUPDMZFPOFGFL-OAHLLOKOSA-N 1 1 331.420 0.935 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000595411183 439724379 /nfs/dbraw/zinc/72/43/79/439724379.db2.gz OTFWINVOAWOTOJ-CABCVRRESA-N 1 1 342.465 0.167 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)nn1 ZINC001041733259 782080076 /nfs/dbraw/zinc/08/00/76/782080076.db2.gz ROIAEDIGPASZRD-SUMWQHHRSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000617413277 439877356 /nfs/dbraw/zinc/87/73/56/439877356.db2.gz HDMGRCXXLRPTLY-CQSZACIVSA-N 1 1 337.445 0.975 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN[C@@H](C(C)C)C2)CC1 ZINC000642795923 440045845 /nfs/dbraw/zinc/04/58/45/440045845.db2.gz JIWZVKHQYMIGOA-MRXNPFEDSA-N 1 1 336.480 0.600 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000636979734 440118740 /nfs/dbraw/zinc/11/87/40/440118740.db2.gz GKSVPNPVZZZMSS-IMJJTQAJSA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCCCCCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658902491 440180775 /nfs/dbraw/zinc/18/07/75/440180775.db2.gz AIZSJGZAXWRWTQ-MRXNPFEDSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000644299453 440512559 /nfs/dbraw/zinc/51/25/59/440512559.db2.gz LRUNIBVSRWMFIA-GOEBONIOSA-N 1 1 349.456 0.927 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1=O ZINC000628966845 440592238 /nfs/dbraw/zinc/59/22/38/440592238.db2.gz XYGLVDJRAQUSGU-CYBMUJFWSA-N 1 1 348.403 0.096 20 30 ECEDMO CC#CCNCc1cn(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)nn1 ZINC000641215147 441076849 /nfs/dbraw/zinc/07/68/49/441076849.db2.gz NYSYVYHXKQPDNJ-SFHVURJKSA-N 1 1 327.432 0.884 20 30 ECEDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)COc1ccc(C#N)cc1 ZINC000563628492 322335410 /nfs/dbraw/zinc/33/54/10/322335410.db2.gz PRKRYROZXWTGIK-OAHLLOKOSA-N 1 1 325.372 0.844 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC001041741436 782100335 /nfs/dbraw/zinc/10/03/35/782100335.db2.gz OAFSDWXRVZCRTR-SFHVURJKSA-N 1 1 346.431 0.427 20 30 ECEDMO CC[NH+]1CCN([C@@H]2CCN(C([O-])=[NH+][C@@H](C)Cn3cccn3)C2)CC1 ZINC000329202294 546016534 /nfs/dbraw/zinc/01/65/34/546016534.db2.gz YAHDOQTWOLWSJO-JKSUJKDBSA-N 1 1 334.468 0.897 20 30 ECEDMO C=C[C@H](CO)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000620590579 546436969 /nfs/dbraw/zinc/43/69/69/546436969.db2.gz XKHMUHUMJKCECD-CQSZACIVSA-N 1 1 341.415 0.840 20 30 ECEDMO CNC(=O)[C@H]1CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625100540 547021975 /nfs/dbraw/zinc/02/19/75/547021975.db2.gz BYQBVLRGHYIDCZ-OAHLLOKOSA-N 1 1 325.368 0.496 20 30 ECEDMO CNC(=O)[C@H]1CCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625100540 547021978 /nfs/dbraw/zinc/02/19/78/547021978.db2.gz BYQBVLRGHYIDCZ-OAHLLOKOSA-N 1 1 325.368 0.496 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626170269 547308086 /nfs/dbraw/zinc/30/80/86/547308086.db2.gz CORUZMCLVZQKHV-AWEZNQCLSA-N 1 1 329.466 0.448 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626170269 547308087 /nfs/dbraw/zinc/30/80/87/547308087.db2.gz CORUZMCLVZQKHV-AWEZNQCLSA-N 1 1 329.466 0.448 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672305366 548301559 /nfs/dbraw/zinc/30/15/59/548301559.db2.gz MEQXBGIRKZSTIQ-OAGGEKHMSA-N 1 1 335.448 0.684 20 30 ECEDMO COCC#CCN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000681004001 549213502 /nfs/dbraw/zinc/21/35/02/549213502.db2.gz DFPWDUCXQMAIMZ-SFHVURJKSA-N 1 1 327.384 0.833 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC001041777126 782180916 /nfs/dbraw/zinc/18/09/16/782180916.db2.gz IFIDQQKERTXTJF-RHSMWYFYSA-N 1 1 329.404 0.411 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 ZINC000750048257 579346621 /nfs/dbraw/zinc/34/66/21/579346621.db2.gz XVVNXDRZDAVCKX-KRWDZBQOSA-N 1 1 328.416 0.974 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 ZINC000750048257 579346622 /nfs/dbraw/zinc/34/66/22/579346622.db2.gz XVVNXDRZDAVCKX-KRWDZBQOSA-N 1 1 328.416 0.974 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000755908128 579440877 /nfs/dbraw/zinc/44/08/77/579440877.db2.gz CZVKNIGCJJXTRX-MRXNPFEDSA-N 1 1 330.432 0.748 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000756551629 579451191 /nfs/dbraw/zinc/45/11/91/579451191.db2.gz OVOQJGOSIGNSQM-UONOGXRCSA-N 1 1 328.434 0.441 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000759020046 579485142 /nfs/dbraw/zinc/48/51/42/579485142.db2.gz RUESILKKGWRKHC-KGLIPLIRSA-N 1 1 327.450 0.853 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=S)NCC(N)=O)CC2)cc1 ZINC000727072478 578154618 /nfs/dbraw/zinc/15/46/18/578154618.db2.gz AAVFTVQEYYJAGF-UHFFFAOYSA-N 1 1 331.445 0.426 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)c1cc(OC)ccc1OC ZINC000730103789 578303410 /nfs/dbraw/zinc/30/34/10/578303410.db2.gz DMDTZMZZQMGMNW-JKSUJKDBSA-N 1 1 332.400 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)c1cc(OC)ccc1OC ZINC000730103789 578303411 /nfs/dbraw/zinc/30/34/11/578303411.db2.gz DMDTZMZZQMGMNW-JKSUJKDBSA-N 1 1 332.400 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000730280640 578304579 /nfs/dbraw/zinc/30/45/79/578304579.db2.gz YLGFMSIQIFYBEW-INIZCTEOSA-N 1 1 334.441 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000730280640 578304580 /nfs/dbraw/zinc/30/45/80/578304580.db2.gz YLGFMSIQIFYBEW-INIZCTEOSA-N 1 1 334.441 0.945 20 30 ECEDMO O=C(NCCNC(=O)N1CC[NH+](C2CC2)CC1)C1N=CC=CC1=O ZINC000732467484 578326054 /nfs/dbraw/zinc/32/60/54/578326054.db2.gz YDBVSKDDQDZOOL-PFONDFGASA-N 1 1 333.392 0.002 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735379946 578382956 /nfs/dbraw/zinc/38/29/56/578382956.db2.gz ANXYXZIOPSLIRM-UHFFFAOYSA-N 1 1 340.387 0.459 20 30 ECEDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000798926520 578654379 /nfs/dbraw/zinc/65/43/79/578654379.db2.gz KTPNAEYGAWHOFL-LLVKDONJSA-N 1 1 336.359 0.916 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780993405 578704158 /nfs/dbraw/zinc/70/41/58/578704158.db2.gz HLYFOBCGXJTDLK-KRWDZBQOSA-N 1 1 331.416 0.897 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000782754216 578732948 /nfs/dbraw/zinc/73/29/48/578732948.db2.gz WJNGRORTDBLDTD-INIZCTEOSA-N 1 1 349.456 0.651 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000782754216 578732949 /nfs/dbraw/zinc/73/29/49/578732949.db2.gz WJNGRORTDBLDTD-INIZCTEOSA-N 1 1 349.456 0.651 20 30 ECEDMO N#Cc1ccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)nc1 ZINC000783301269 578741060 /nfs/dbraw/zinc/74/10/60/578741060.db2.gz ULZKFURWKLILEM-UHFFFAOYSA-N 1 1 329.448 0.839 20 30 ECEDMO COC(=O)COc1ccc(C=NNC2=[NH+]C[C@@H](C)N2)cc1[N+](=O)[O-] ZINC000788725946 578843431 /nfs/dbraw/zinc/84/34/31/578843431.db2.gz QZZGGJDZEBCNLY-SECBINFHSA-N 1 1 335.320 0.418 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000790034578 578866505 /nfs/dbraw/zinc/86/65/05/578866505.db2.gz MAUURCMAAXQGIR-ZDUSSCGKSA-N 1 1 342.465 0.104 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc(C)on1 ZINC000790291822 578871660 /nfs/dbraw/zinc/87/16/60/578871660.db2.gz WOIMWEODFNPZPQ-UHFFFAOYSA-N 1 1 325.438 0.893 20 30 ECEDMO C[N@@H+]1CCN(c2ccc(C#N)nn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000767253997 579104274 /nfs/dbraw/zinc/10/42/74/579104274.db2.gz ACUDACBTTSJQTG-ZDUSSCGKSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2ccc(C#N)nn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000767253997 579104276 /nfs/dbraw/zinc/10/42/76/579104276.db2.gz ACUDACBTTSJQTG-ZDUSSCGKSA-N 1 1 332.408 0.993 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)nn1CCC#N ZINC000768087059 579121641 /nfs/dbraw/zinc/12/16/41/579121641.db2.gz MVHMNXKVDUHCOA-LBPRGKRZSA-N 1 1 332.408 0.644 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000770954544 579181039 /nfs/dbraw/zinc/18/10/39/579181039.db2.gz LVDOCJBHNLNUFK-CYBMUJFWSA-N 1 1 329.466 0.118 20 30 ECEDMO CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000773948269 579236896 /nfs/dbraw/zinc/23/68/96/579236896.db2.gz DRUFYSCDROOTKA-UHFFFAOYSA-N 1 1 332.408 0.583 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1c(C(=O)OCC)cnn1C)[C@H]1CCCO1 ZINC000775793643 579271372 /nfs/dbraw/zinc/27/13/72/579271372.db2.gz WGEGPIWYBVJIHE-QWHCGFSZSA-N 1 1 334.376 0.306 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCO1 ZINC000775800699 579271716 /nfs/dbraw/zinc/27/17/16/579271716.db2.gz TZPCHNAVMKTQPA-UONOGXRCSA-N 1 1 337.401 0.043 20 30 ECEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000776594007 579285680 /nfs/dbraw/zinc/28/56/80/579285680.db2.gz QSJYDLVAZUOYLH-GFCCVEGCSA-N 1 1 334.445 0.815 20 30 ECEDMO C#CCOCCNC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779656820 579319395 /nfs/dbraw/zinc/31/93/95/579319395.db2.gz ITKFHQFUPZMVEX-LJQANCHMSA-N 1 1 345.443 0.915 20 30 ECEDMO C[C@@H]1CN=C(NN=Cc2ccc(C=NNC3=[NH+]C[C@H](C)N3)cc2)N1 ZINC000779791418 579320880 /nfs/dbraw/zinc/32/08/80/579320880.db2.gz CLYDTRXFIXAJPC-TXEJJXNPSA-N 1 1 326.408 0.229 20 30 ECEDMO C[C@@H]1C[NH+]=C(NN=Cc2ccc(C=NNC3=NC[C@H](C)N3)cc2)N1 ZINC000779791418 579320881 /nfs/dbraw/zinc/32/08/81/579320881.db2.gz CLYDTRXFIXAJPC-TXEJJXNPSA-N 1 1 326.408 0.229 20 30 ECEDMO C[C@@H]1CC(N=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[N@H+]1C ZINC000761793575 579532089 /nfs/dbraw/zinc/53/20/89/579532089.db2.gz NYZPDDLJHSHRIA-MRVPVSSYSA-N 1 1 327.366 0.734 20 30 ECEDMO Cn1ccnc(N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)c1=O ZINC000763242763 579557444 /nfs/dbraw/zinc/55/74/44/579557444.db2.gz WGIZVPDUCXUYLA-MRXNPFEDSA-N 1 1 339.399 0.508 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ncnc3c2CCCC3)CC1 ZINC000763351089 579558908 /nfs/dbraw/zinc/55/89/08/579558908.db2.gz MRFIUEXOVZMZTL-UHFFFAOYSA-N 1 1 327.432 0.617 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ncnc3c2CCCC3)CC1 ZINC000763351089 579558910 /nfs/dbraw/zinc/55/89/10/579558910.db2.gz MRFIUEXOVZMZTL-UHFFFAOYSA-N 1 1 327.432 0.617 20 30 ECEDMO C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)C[NH+]1CCOCC1 ZINC000742408743 579787046 /nfs/dbraw/zinc/78/70/46/579787046.db2.gz VIQVOSHFUCKPME-GFCCVEGCSA-N 1 1 338.433 0.586 20 30 ECEDMO CC(C)[N@H+]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000746210778 579832992 /nfs/dbraw/zinc/83/29/92/579832992.db2.gz UESPBJMHFRYMEK-WUKNDPDISA-N 1 1 334.420 0.846 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)Cc2cc(C#N)cs2)CC1 ZINC000891927576 586206553 /nfs/dbraw/zinc/20/65/53/586206553.db2.gz VZPMVYPUJINOGG-UHFFFAOYSA-N 1 1 349.460 0.972 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000895919688 586213340 /nfs/dbraw/zinc/21/33/40/586213340.db2.gz BDXDJDPRNFYFNO-UHFFFAOYSA-N 1 1 332.429 0.753 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)NCC#C[C@@H]2CCCCO2)CC1(C)C ZINC000894599053 586403928 /nfs/dbraw/zinc/40/39/28/586403928.db2.gz DQRIIRCSJSFZKM-INIZCTEOSA-N 1 1 336.480 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCOC2(CC(C(=O)OC)C2)C1 ZINC000899677468 586494806 /nfs/dbraw/zinc/49/48/06/586494806.db2.gz GVXGSBZGHDIDSK-DGSCNEQVSA-N 1 1 334.416 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCOC2(CC(C(=O)OC)C2)C1 ZINC000899677468 586494808 /nfs/dbraw/zinc/49/48/08/586494808.db2.gz GVXGSBZGHDIDSK-DGSCNEQVSA-N 1 1 334.416 0.701 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000900080760 586522431 /nfs/dbraw/zinc/52/24/31/586522431.db2.gz UAKOEMPAYPCCBN-RHSMWYFYSA-N 1 1 329.404 0.057 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCOC)C1 ZINC000900561209 586641445 /nfs/dbraw/zinc/64/14/45/586641445.db2.gz OLMRKCAXZIEWHG-CQSZACIVSA-N 1 1 325.409 0.650 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCOC)C1 ZINC000900561209 586641447 /nfs/dbraw/zinc/64/14/47/586641447.db2.gz OLMRKCAXZIEWHG-CQSZACIVSA-N 1 1 325.409 0.650 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(C#CCO)c3)C2)CC1 ZINC000900672265 586654231 /nfs/dbraw/zinc/65/42/31/586654231.db2.gz BBSQNWZJDJINBL-SFHVURJKSA-N 1 1 341.455 0.929 20 30 ECEDMO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cccc(C#CCO)c3)C2)CC1 ZINC000900672265 586654233 /nfs/dbraw/zinc/65/42/33/586654233.db2.gz BBSQNWZJDJINBL-SFHVURJKSA-N 1 1 341.455 0.929 20 30 ECEDMO C#CCOc1ccc(CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1 ZINC000838677791 586820466 /nfs/dbraw/zinc/82/04/66/586820466.db2.gz PYSLVUAEZUZPMW-HNNXBMFYSA-N 1 1 331.416 0.907 20 30 ECEDMO C#CCOc1ccc(CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1 ZINC000838677791 586820469 /nfs/dbraw/zinc/82/04/69/586820469.db2.gz PYSLVUAEZUZPMW-HNNXBMFYSA-N 1 1 331.416 0.907 20 30 ECEDMO CC(=Nn1cnnc1)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000839380661 586853593 /nfs/dbraw/zinc/85/35/93/586853593.db2.gz BBNZYXYFEMTMBA-UHFFFAOYSA-N 1 1 334.405 0.144 20 30 ECEDMO CCO[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)C[NH+](C)C ZINC000905578428 586903645 /nfs/dbraw/zinc/90/36/45/586903645.db2.gz DUHKCOPRABVSCG-OAHLLOKOSA-N 1 1 339.461 0.888 20 30 ECEDMO C#CCNC(=O)c1ccccc1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906429448 586948456 /nfs/dbraw/zinc/94/84/56/586948456.db2.gz TVSBAXSTBHAEOR-UHFFFAOYSA-N 1 1 328.416 0.482 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000907159556 587021375 /nfs/dbraw/zinc/02/13/75/587021375.db2.gz OISDKGMVVFDUBS-GOSISDBHSA-N 1 1 342.443 0.952 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCCO1 ZINC000807364036 587125764 /nfs/dbraw/zinc/12/57/64/587125764.db2.gz YKIMTDCPACVXLT-WFDRTZIDSA-N 1 1 333.432 0.415 20 30 ECEDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000807986986 587140975 /nfs/dbraw/zinc/14/09/75/587140975.db2.gz BYEWKAAOABPFHW-PHODEOQFSA-N 1 1 334.420 0.846 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@@H](C3CCC3)C2)c1=O ZINC000840189246 587186363 /nfs/dbraw/zinc/18/63/63/587186363.db2.gz PFSZKPGLJPQPNI-OAHLLOKOSA-N 1 1 346.431 0.623 20 30 ECEDMO C=C[C@H](O)C(=O)OCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000814541229 587276485 /nfs/dbraw/zinc/27/64/85/587276485.db2.gz LXTULBRXAYHVQM-ZBFHGGJFSA-N 1 1 332.400 0.982 20 30 ECEDMO C[NH+]1CCN([C@H](C(=O)N[C@H]2CCCN(O)C2=O)c2ccccc2)CC1 ZINC000816758257 587324719 /nfs/dbraw/zinc/32/47/19/587324719.db2.gz LKVYYWWXJIBHLB-HOTGVXAUSA-N 1 1 346.431 0.472 20 30 ECEDMO C#C[C@H](NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1CCOCC1 ZINC000823158164 587706603 /nfs/dbraw/zinc/70/66/03/587706603.db2.gz COUQTRKBZIUFHQ-SJORKVTESA-N 1 1 335.448 0.655 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000823455278 587721457 /nfs/dbraw/zinc/72/14/57/587721457.db2.gz BORKCBHXDGLCKI-CABCVRRESA-N 1 1 336.436 0.132 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000823455278 587721459 /nfs/dbraw/zinc/72/14/59/587721459.db2.gz BORKCBHXDGLCKI-CABCVRRESA-N 1 1 336.436 0.132 20 30 ECEDMO COc1cc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)ccc1C#N ZINC000827082835 588098645 /nfs/dbraw/zinc/09/86/45/588098645.db2.gz QYGLVJYRFJQYQA-UHFFFAOYSA-N 1 1 344.415 0.849 20 30 ECEDMO C#CCN(CC(=O)N1CC[NH+](CCOC)CC1)C(=O)OC(C)(C)C ZINC000827480341 588123377 /nfs/dbraw/zinc/12/33/77/588123377.db2.gz BSUVMTNYLTZNSL-UHFFFAOYSA-N 1 1 339.436 0.647 20 30 ECEDMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000829974974 588351442 /nfs/dbraw/zinc/35/14/42/588351442.db2.gz MXGPECCZYQANKF-BBRMVZONSA-N 1 1 338.408 0.026 20 30 ECEDMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000829974974 588351444 /nfs/dbraw/zinc/35/14/44/588351444.db2.gz MXGPECCZYQANKF-BBRMVZONSA-N 1 1 338.408 0.026 20 30 ECEDMO COCCOCC[NH+]1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000844468326 589111727 /nfs/dbraw/zinc/11/17/27/589111727.db2.gz VBTUEAHYMTYJOY-GOSISDBHSA-N 1 1 333.432 0.872 20 30 ECEDMO COCCOCCN1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000844468326 589111728 /nfs/dbraw/zinc/11/17/28/589111728.db2.gz VBTUEAHYMTYJOY-GOSISDBHSA-N 1 1 333.432 0.872 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847349065 589243484 /nfs/dbraw/zinc/24/34/84/589243484.db2.gz QDATXMARDNXAQU-UONOGXRCSA-N 1 1 329.466 0.903 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847349065 589243486 /nfs/dbraw/zinc/24/34/86/589243486.db2.gz QDATXMARDNXAQU-UONOGXRCSA-N 1 1 329.466 0.903 20 30 ECEDMO C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)N1CCC(C)CC1 ZINC000849067594 589319299 /nfs/dbraw/zinc/31/92/99/589319299.db2.gz OMDDFSXHBLCZLT-INIZCTEOSA-N 1 1 325.501 0.604 20 30 ECEDMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2C#N)[C@@H](c2cnn(C)c2)C1 ZINC000849554066 589340261 /nfs/dbraw/zinc/34/02/61/589340261.db2.gz LIGHNMBCXGIZAG-YESZJQIVSA-N 1 1 345.447 0.985 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000850709948 589381123 /nfs/dbraw/zinc/38/11/23/589381123.db2.gz NGLIFHZEULDDSD-GOSISDBHSA-N 1 1 335.448 0.429 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](N3CCOC3=O)C2)cc1 ZINC000852431262 589496021 /nfs/dbraw/zinc/49/60/21/589496021.db2.gz AAFPVNFXZZWIOF-HNNXBMFYSA-N 1 1 328.372 0.701 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](N3CCOC3=O)C2)cc1 ZINC000852431262 589496023 /nfs/dbraw/zinc/49/60/23/589496023.db2.gz AAFPVNFXZZWIOF-HNNXBMFYSA-N 1 1 328.372 0.701 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000852714497 589507101 /nfs/dbraw/zinc/50/71/01/589507101.db2.gz SSUBIBUHFFNCIM-SECBINFHSA-N 1 1 334.344 0.758 20 30 ECEDMO COC(=O)NC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000852769149 589511543 /nfs/dbraw/zinc/51/15/43/589511543.db2.gz PFQNVUNVEIPXLB-UHFFFAOYSA-N 1 1 330.388 0.995 20 30 ECEDMO O=[S@]1CCCC(=NNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000853267511 589539160 /nfs/dbraw/zinc/53/91/60/589539160.db2.gz SFCPGBMDPUJUME-QFIPXVFZSA-N 1 1 346.522 0.461 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2cc(C#N)nc(CC)n2)CC1 ZINC000853325300 589540538 /nfs/dbraw/zinc/54/05/38/589540538.db2.gz GHEJUBPGRGYFQQ-UHFFFAOYSA-N 1 1 326.404 0.172 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C#N)nc(CC)n2)CC1 ZINC000853325300 589540540 /nfs/dbraw/zinc/54/05/40/589540540.db2.gz GHEJUBPGRGYFQQ-UHFFFAOYSA-N 1 1 326.404 0.172 20 30 ECEDMO C[C@H]1CCCC[N@H+]1CC(N)=NO[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000113250142 589626991 /nfs/dbraw/zinc/62/69/91/589626991.db2.gz WEEYVLYUBBBQOV-GXTWGEPZSA-N 1 1 334.424 0.689 20 30 ECEDMO N#Cc1cc(F)ccc1N1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000866702793 589759497 /nfs/dbraw/zinc/75/94/97/589759497.db2.gz GODUKGRNBUWJQD-UHFFFAOYSA-N 1 1 345.422 0.641 20 30 ECEDMO C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867944732 589864451 /nfs/dbraw/zinc/86/44/51/589864451.db2.gz HQVTVWWRPDQTMV-IAQYHMDHSA-N 1 1 335.429 0.684 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000862196748 589930909 /nfs/dbraw/zinc/93/09/09/589930909.db2.gz UQLHDEHCWFVUCB-LBPRGKRZSA-N 1 1 327.344 0.360 20 30 ECEDMO C[NH+]1CCN(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC1 ZINC000871183269 590054338 /nfs/dbraw/zinc/05/43/38/590054338.db2.gz ZGZNJQMBFZOZOL-UHFFFAOYSA-N 1 1 338.415 0.989 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1C#N ZINC000872616428 590133541 /nfs/dbraw/zinc/13/35/41/590133541.db2.gz DSGRIYBJXWQDMR-UONOGXRCSA-N 1 1 336.417 0.091 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000874456646 590241728 /nfs/dbraw/zinc/24/17/28/590241728.db2.gz NLAGISHEYKQPBE-PERWBAPNSA-N 1 1 332.404 0.646 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000874456646 590241729 /nfs/dbraw/zinc/24/17/29/590241729.db2.gz NLAGISHEYKQPBE-PERWBAPNSA-N 1 1 332.404 0.646 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000875121640 590272716 /nfs/dbraw/zinc/27/27/16/590272716.db2.gz CINPWMLTWOALRO-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO CC(C)[C@H]1CN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC[N@H+]1C ZINC000875267911 590288815 /nfs/dbraw/zinc/28/88/15/590288815.db2.gz TVJSSIUNHVYERW-UWZWCOGJSA-N 1 1 349.435 0.494 20 30 ECEDMO COCCCS(=O)(=O)NCC[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434090 590311898 /nfs/dbraw/zinc/31/18/98/590311898.db2.gz NGNQMFVTQZAZEY-UHFFFAOYSA-N 1 1 339.461 0.988 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC000875624014 590316705 /nfs/dbraw/zinc/31/67/05/590316705.db2.gz ZYPIUEROIKJSEY-UHFFFAOYSA-N 1 1 334.424 0.453 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCc1n[nH]c(C2CCOCC2)n1 ZINC000875624014 590316707 /nfs/dbraw/zinc/31/67/07/590316707.db2.gz ZYPIUEROIKJSEY-UHFFFAOYSA-N 1 1 334.424 0.453 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1n[nH]c(C2CCOCC2)n1 ZINC000875624014 590316709 /nfs/dbraw/zinc/31/67/09/590316709.db2.gz ZYPIUEROIKJSEY-UHFFFAOYSA-N 1 1 334.424 0.453 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879973289 590357166 /nfs/dbraw/zinc/35/71/66/590357166.db2.gz XMXFSGHLDBULGA-BZUAXINKSA-N 1 1 335.448 0.258 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000876281175 590371313 /nfs/dbraw/zinc/37/13/13/590371313.db2.gz GPBAEIDBAJCWHS-SUMWQHHRSA-N 1 1 328.416 0.733 20 30 ECEDMO COCCN(CC(=O)N(C)C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876601602 590390602 /nfs/dbraw/zinc/39/06/02/590390602.db2.gz WJYLSVCAARTWKH-KRWDZBQOSA-N 1 1 344.415 0.308 20 30 ECEDMO COC(=O)[C@]1(O)CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880566419 590406165 /nfs/dbraw/zinc/40/61/65/590406165.db2.gz JOPXTUGVLAWZQY-YJBOKZPZSA-N 1 1 343.383 0.663 20 30 ECEDMO COC(=O)[C@]1(O)CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880566419 590406168 /nfs/dbraw/zinc/40/61/68/590406168.db2.gz JOPXTUGVLAWZQY-YJBOKZPZSA-N 1 1 343.383 0.663 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000876851972 590419232 /nfs/dbraw/zinc/41/92/32/590419232.db2.gz QXUKZQURDLLQPM-FUHWJXTLSA-N 1 1 339.443 0.251 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000876908453 590425562 /nfs/dbraw/zinc/42/55/62/590425562.db2.gz OFOUDTCXKCHOPU-DLBZAZTESA-N 1 1 339.395 0.952 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CS1(=O)=O ZINC000876966586 590430241 /nfs/dbraw/zinc/43/02/41/590430241.db2.gz WUYVITHYHPAPCL-DIOULYMOSA-N 1 1 347.440 0.827 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)c3csc(C[NH3+])n3)CC2)cn1 ZINC000877296390 590454985 /nfs/dbraw/zinc/45/49/85/590454985.db2.gz CQOVQYUZCBKGQX-UHFFFAOYSA-N 1 1 328.401 0.831 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@@H](O)CC3(O)CCCC3)CC2)c1C#N ZINC000878494917 590524718 /nfs/dbraw/zinc/52/47/18/590524718.db2.gz RBENWIDEBNWLHA-HNNXBMFYSA-N 1 1 347.463 0.778 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879230035 590572538 /nfs/dbraw/zinc/57/25/38/590572538.db2.gz HHYAVEGDYOUALM-UHFFFAOYSA-N 1 1 328.416 0.835 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879230035 590572540 /nfs/dbraw/zinc/57/25/40/590572540.db2.gz HHYAVEGDYOUALM-UHFFFAOYSA-N 1 1 328.416 0.835 20 30 ECEDMO Cc1nc(C#N)cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000882986808 590600494 /nfs/dbraw/zinc/60/04/94/590600494.db2.gz KBCXBYAHCAROLD-OAHLLOKOSA-N 1 1 330.436 0.865 20 30 ECEDMO C#CCC1(O)CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000883096974 590604699 /nfs/dbraw/zinc/60/46/99/590604699.db2.gz XRUNDHOABASIDB-MRXNPFEDSA-N 1 1 337.464 0.903 20 30 ECEDMO C#CCC1(O)CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000883673618 590649268 /nfs/dbraw/zinc/64/92/68/590649268.db2.gz MIBRQRQODNJINN-UHFFFAOYSA-N 1 1 336.480 0.572 20 30 ECEDMO CC(C)(C)OCCC[NH+]1CCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000883695897 590652241 /nfs/dbraw/zinc/65/22/41/590652241.db2.gz QLHQCKVZSGQOEP-UHFFFAOYSA-N 1 1 339.440 0.159 20 30 ECEDMO N#CCCc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1 ZINC000885023571 590673965 /nfs/dbraw/zinc/67/39/65/590673965.db2.gz ACQIRCGVHWUCDU-UHFFFAOYSA-N 1 1 337.445 0.831 20 30 ECEDMO N#CCCc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1 ZINC000885023571 590673967 /nfs/dbraw/zinc/67/39/67/590673967.db2.gz ACQIRCGVHWUCDU-UHFFFAOYSA-N 1 1 337.445 0.831 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C1)CC2 ZINC000885312388 590714115 /nfs/dbraw/zinc/71/41/15/590714115.db2.gz LLLKGQNPBRGRLV-IOASZLSFSA-N 1 1 348.428 0.151 20 30 ECEDMO N#Cc1ccc(NCC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)nc1 ZINC000885874830 590775046 /nfs/dbraw/zinc/77/50/46/590775046.db2.gz BAUFTZOGVZCGAB-OAHLLOKOSA-N 1 1 329.404 0.735 20 30 ECEDMO N#Cc1ccc([C@@H](O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000885879492 590776462 /nfs/dbraw/zinc/77/64/62/590776462.db2.gz IFBJOHXXRKVEGN-IAGOWNOFSA-N 1 1 329.400 0.961 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCOC[C@H]2OCCOC)C1 ZINC000884277894 590794338 /nfs/dbraw/zinc/79/43/38/590794338.db2.gz XYORBOYLTNYALU-HRCADAONSA-N 1 1 339.436 0.204 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCOC[C@H]2OCCOC)C1 ZINC000884277894 590794340 /nfs/dbraw/zinc/79/43/40/590794340.db2.gz XYORBOYLTNYALU-HRCADAONSA-N 1 1 339.436 0.204 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886304295 590828506 /nfs/dbraw/zinc/82/85/06/590828506.db2.gz SYEOUBYKMOMZKJ-UONOGXRCSA-N 1 1 329.466 0.692 20 30 ECEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000886361314 590835618 /nfs/dbraw/zinc/83/56/18/590835618.db2.gz AXLSFBMXPGFAKE-JKSUJKDBSA-N 1 1 327.432 0.859 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)CC1 ZINC000886799317 590883792 /nfs/dbraw/zinc/88/37/92/590883792.db2.gz PNVYGVNPIFFDDK-CQSZACIVSA-N 1 1 333.354 0.011 20 30 ECEDMO COC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000886852274 590892727 /nfs/dbraw/zinc/89/27/27/590892727.db2.gz DLRSSFPBVMMSQN-GJZGRUSLSA-N 1 1 333.388 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(CCO)(CCO)CC2)C1 ZINC000890361180 591151173 /nfs/dbraw/zinc/15/11/73/591151173.db2.gz LIGPQVKIGHQVFJ-INIZCTEOSA-N 1 1 337.464 0.641 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(CCO)(CCO)CC2)C1 ZINC000890361180 591151175 /nfs/dbraw/zinc/15/11/75/591151175.db2.gz LIGPQVKIGHQVFJ-INIZCTEOSA-N 1 1 337.464 0.641 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC2(CO)Cc3ccccc3C2)C1 ZINC000890365040 591152073 /nfs/dbraw/zinc/15/20/73/591152073.db2.gz NZVKHEGFTADSJU-QGZVFWFLSA-N 1 1 327.428 0.913 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2(CO)Cc3ccccc3C2)C1 ZINC000890365040 591152077 /nfs/dbraw/zinc/15/20/77/591152077.db2.gz NZVKHEGFTADSJU-QGZVFWFLSA-N 1 1 327.428 0.913 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000890367998 591153859 /nfs/dbraw/zinc/15/38/59/591153859.db2.gz ZSZXHCLZIQHWML-JKSUJKDBSA-N 1 1 336.480 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)N(CC)CC)CC2)C1 ZINC000890371323 591155177 /nfs/dbraw/zinc/15/51/77/591155177.db2.gz SDMUUTFLTLEKQV-INIZCTEOSA-N 1 1 349.479 0.873 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)N(CC)CC)CC2)C1 ZINC000890371323 591155178 /nfs/dbraw/zinc/15/51/78/591155178.db2.gz SDMUUTFLTLEKQV-INIZCTEOSA-N 1 1 349.479 0.873 20 30 ECEDMO N#CCC(=O)N1CC[NH+](C[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000930630977 611448280 /nfs/dbraw/zinc/44/82/80/611448280.db2.gz QEBRDQRYHCQFML-IAGOWNOFSA-N 1 1 331.416 0.919 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000948201357 611465237 /nfs/dbraw/zinc/46/52/37/611465237.db2.gz CYCURRPYZFSRGK-DVOMOZLQSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948207199 611468285 /nfs/dbraw/zinc/46/82/85/611468285.db2.gz IKNCUTCQGCGZSN-UXIGCNINSA-N 1 1 329.404 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)[C@@H]3CC[C@@H](C(=O)OC)CN3C2=O)C1 ZINC000925327112 611469531 /nfs/dbraw/zinc/46/95/31/611469531.db2.gz UIMQQVDSPSKVDE-RDBSUJKOSA-N 1 1 333.388 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)[C@@H]3CC[C@@H](C(=O)OC)CN3C2=O)C1 ZINC000925327112 611469533 /nfs/dbraw/zinc/46/95/33/611469533.db2.gz UIMQQVDSPSKVDE-RDBSUJKOSA-N 1 1 333.388 0.300 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnnn4CC3)CC[C@@H]2C1 ZINC000946790412 611480507 /nfs/dbraw/zinc/48/05/07/611480507.db2.gz LIIFGXJKFMWVNU-HRCADAONSA-N 1 1 342.447 0.429 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000946797103 611487063 /nfs/dbraw/zinc/48/70/63/611487063.db2.gz XTASWZNMUGMJQJ-OAHLLOKOSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930980686 611492646 /nfs/dbraw/zinc/49/26/46/611492646.db2.gz BRXONJWBFGSMDA-CQSZACIVSA-N 1 1 346.431 0.851 20 30 ECEDMO C#CC1(O)CC[NH+](C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000931150877 611511971 /nfs/dbraw/zinc/51/19/71/611511971.db2.gz JPUNZMNMNUXAQT-INIZCTEOSA-N 1 1 337.441 0.758 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000926146061 611519640 /nfs/dbraw/zinc/51/96/40/611519640.db2.gz JBPYEXBJRQNCGJ-MMTVNHQJSA-N 1 1 333.436 0.674 20 30 ECEDMO N#CC[C@@H](O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000931333063 611530901 /nfs/dbraw/zinc/53/09/01/611530901.db2.gz VBGXPBITROOKOK-QWQWKMKNSA-N 1 1 331.338 0.992 20 30 ECEDMO C[N@@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1CO ZINC000931403220 611536601 /nfs/dbraw/zinc/53/66/01/611536601.db2.gz IWVVJJFQQWGFEH-IRXDYDNUSA-N 1 1 328.416 0.662 20 30 ECEDMO C[N@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1CO ZINC000931403220 611536604 /nfs/dbraw/zinc/53/66/04/611536604.db2.gz IWVVJJFQQWGFEH-IRXDYDNUSA-N 1 1 328.416 0.662 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C ZINC000947441298 611539492 /nfs/dbraw/zinc/53/94/92/611539492.db2.gz HXUMMVXQWOEKHT-HIFRSBDPSA-N 1 1 338.473 0.804 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)CC1 ZINC000931721043 611566392 /nfs/dbraw/zinc/56/63/92/611566392.db2.gz GKSBFVMULOYIEO-SQNIBIBYSA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2CN(C)CC3)CC1 ZINC000931721043 611566394 /nfs/dbraw/zinc/56/63/94/611566394.db2.gz GKSBFVMULOYIEO-SQNIBIBYSA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2CN(C)CC3)CC1 ZINC000931721043 611566396 /nfs/dbraw/zinc/56/63/96/611566396.db2.gz GKSBFVMULOYIEO-SQNIBIBYSA-N 1 1 347.507 0.847 20 30 ECEDMO CC[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cccc(C#N)c1O ZINC000926775699 611567604 /nfs/dbraw/zinc/56/76/04/611567604.db2.gz YZXZJZVZEOBHBF-CQSZACIVSA-N 1 1 338.433 0.795 20 30 ECEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931873479 611579423 /nfs/dbraw/zinc/57/94/23/611579423.db2.gz ORBGDOOGOVFQRU-INIZCTEOSA-N 1 1 326.400 0.893 20 30 ECEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931873479 611579424 /nfs/dbraw/zinc/57/94/24/611579424.db2.gz ORBGDOOGOVFQRU-INIZCTEOSA-N 1 1 326.400 0.893 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C ZINC000947524294 611579614 /nfs/dbraw/zinc/57/96/14/611579614.db2.gz RMSMSJJCERPZSY-HUUCEWRRSA-N 1 1 346.431 0.496 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948417030 611583250 /nfs/dbraw/zinc/58/32/50/611583250.db2.gz VMCOMRAWSQWJGV-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@H]1C ZINC000947571451 611601839 /nfs/dbraw/zinc/60/18/39/611601839.db2.gz FELUIGAFNQMTBS-OLZOCXBDSA-N 1 1 327.388 0.547 20 30 ECEDMO C#CC[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C(C)C ZINC000932394782 611622193 /nfs/dbraw/zinc/62/21/93/611622193.db2.gz AGVQFFMNZCZETB-UHFFFAOYSA-N 1 1 335.429 0.567 20 30 ECEDMO C#CC[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C(C)C ZINC000932394782 611622196 /nfs/dbraw/zinc/62/21/96/611622196.db2.gz AGVQFFMNZCZETB-UHFFFAOYSA-N 1 1 335.429 0.567 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947370924 608602930 /nfs/dbraw/zinc/60/29/30/608602930.db2.gz WODFVDIKUVCZFP-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000924038241 608611860 /nfs/dbraw/zinc/61/18/60/608611860.db2.gz YXPLXSNXVNFTAT-WBVHZDCISA-N 1 1 334.464 0.637 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 ZINC000949326195 608635742 /nfs/dbraw/zinc/63/57/42/608635742.db2.gz HDBGJOKUKKONNL-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 ZINC000949386162 608664909 /nfs/dbraw/zinc/66/49/09/608664909.db2.gz VMDMDCAOLMRTHK-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 ZINC000949391465 608666227 /nfs/dbraw/zinc/66/62/27/608666227.db2.gz BZQLPVFRJAVTAI-OAHLLOKOSA-N 1 1 333.432 0.372 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC(=O)NC[C@@H]2c2ccccc2)C1 ZINC000924034777 608666655 /nfs/dbraw/zinc/66/66/55/608666655.db2.gz FPFDCGMKENNNAE-DLBZAZTESA-N 1 1 340.427 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC(=O)NC[C@@H]2c2ccccc2)C1 ZINC000924034777 608666657 /nfs/dbraw/zinc/66/66/57/608666657.db2.gz FPFDCGMKENNNAE-DLBZAZTESA-N 1 1 340.427 0.967 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)c1 ZINC000927870093 611647731 /nfs/dbraw/zinc/64/77/31/611647731.db2.gz KHQRBYRGDKPOTM-UHFFFAOYSA-N 1 1 342.443 0.798 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C#CC2CC2)C1 ZINC000937400076 608712485 /nfs/dbraw/zinc/71/24/85/608712485.db2.gz ZTMGIQBZISDEDU-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C#CC2CC2)C1 ZINC000937400076 608712489 /nfs/dbraw/zinc/71/24/89/608712489.db2.gz ZTMGIQBZISDEDU-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000948561017 611654848 /nfs/dbraw/zinc/65/48/48/611654848.db2.gz HTDOBFVKGZSNTF-KBPBESRZSA-N 1 1 331.420 0.492 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000948562057 611655269 /nfs/dbraw/zinc/65/52/69/611655269.db2.gz QCAGHFJANRJHCB-GJZGRUSLSA-N 1 1 345.447 0.882 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC000948567069 611657386 /nfs/dbraw/zinc/65/73/86/611657386.db2.gz DBOUGYRYWSUROL-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC000948567069 611657388 /nfs/dbraw/zinc/65/73/88/611657388.db2.gz DBOUGYRYWSUROL-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cc2ccc[nH]2)CC1 ZINC000947229899 608797606 /nfs/dbraw/zinc/79/76/06/608797606.db2.gz ISQLYYQPSVLNNZ-KRWDZBQOSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cc2ccc[nH]2)CC1 ZINC000947229899 608797607 /nfs/dbraw/zinc/79/76/07/608797607.db2.gz ISQLYYQPSVLNNZ-KRWDZBQOSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2CCOCC2)CC1 ZINC000947230439 608821397 /nfs/dbraw/zinc/82/13/97/608821397.db2.gz QXMGAUQKAMUNGF-KRWDZBQOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2CCOCC2)CC1 ZINC000947230439 608821399 /nfs/dbraw/zinc/82/13/99/608821399.db2.gz QXMGAUQKAMUNGF-KRWDZBQOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000936985261 608848834 /nfs/dbraw/zinc/84/88/34/608848834.db2.gz KZUFMSZTGSDGNE-HOTGVXAUSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000936985261 608848836 /nfs/dbraw/zinc/84/88/36/608848836.db2.gz KZUFMSZTGSDGNE-HOTGVXAUSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C ZINC000947729565 611668668 /nfs/dbraw/zinc/66/86/68/611668668.db2.gz GKPZOYPIKIUBOP-YUELXQCFSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C ZINC000947729565 611668670 /nfs/dbraw/zinc/66/86/70/611668670.db2.gz GKPZOYPIKIUBOP-YUELXQCFSA-N 1 1 330.388 0.349 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1C ZINC000947567788 608899246 /nfs/dbraw/zinc/89/92/46/608899246.db2.gz HVVGNLNNDYBYMC-STQMWFEESA-N 1 1 327.392 0.826 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000936633162 608906492 /nfs/dbraw/zinc/90/64/92/608906492.db2.gz FUHWQYYTPAXSQI-YESZJQIVSA-N 1 1 338.411 0.582 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000936913539 608911557 /nfs/dbraw/zinc/91/15/57/608911557.db2.gz SFMDISIEBYVRLL-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947205352 608919969 /nfs/dbraw/zinc/91/99/69/608919969.db2.gz PIYYMJLBEICRRB-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000937064736 608946574 /nfs/dbraw/zinc/94/65/74/608946574.db2.gz JGOPERWVBZXYGX-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2snnc2C)C1 ZINC000937668350 609001782 /nfs/dbraw/zinc/00/17/82/609001782.db2.gz JWNCJNGMUMONLK-STQMWFEESA-N 1 1 347.444 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2snnc2C)C1 ZINC000937668350 609001786 /nfs/dbraw/zinc/00/17/86/609001786.db2.gz JWNCJNGMUMONLK-STQMWFEESA-N 1 1 347.444 0.275 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C[C@@H]1C ZINC000947762637 611680581 /nfs/dbraw/zinc/68/05/81/611680581.db2.gz XRURAOMLRTUDSU-UONOGXRCSA-N 1 1 344.419 0.436 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000178322426 609077903 /nfs/dbraw/zinc/07/79/03/609077903.db2.gz NHNSYIRPWKYROE-UKRRQHHQSA-N 1 1 338.433 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cncs2)C1 ZINC000936788414 609087650 /nfs/dbraw/zinc/08/76/50/609087650.db2.gz DRHUHLBLZNIOPX-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cncs2)C1 ZINC000936788414 609087651 /nfs/dbraw/zinc/08/76/51/609087651.db2.gz DRHUHLBLZNIOPX-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccnn3C)[C@H](C)C2)nn1 ZINC000947792592 611692218 /nfs/dbraw/zinc/69/22/18/611692218.db2.gz OVAKAMZWEZHURG-ZIAGYGMSSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnn3C)[C@H](C)C2)nn1 ZINC000947792592 611692221 /nfs/dbraw/zinc/69/22/21/611692221.db2.gz OVAKAMZWEZHURG-ZIAGYGMSSA-N 1 1 343.435 0.981 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000937979803 609433254 /nfs/dbraw/zinc/43/32/54/609433254.db2.gz XABYSLSWYCKRDC-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000938171112 609483332 /nfs/dbraw/zinc/48/33/32/609483332.db2.gz XDJVXNOEDLZTIT-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000938171112 609483335 /nfs/dbraw/zinc/48/33/35/609483335.db2.gz XDJVXNOEDLZTIT-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc(C)cn2)C1 ZINC000938172329 609485116 /nfs/dbraw/zinc/48/51/16/609485116.db2.gz UXDLNHWTZCHIAA-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc(C)cn2)C1 ZINC000938172329 609485117 /nfs/dbraw/zinc/48/51/17/609485117.db2.gz UXDLNHWTZCHIAA-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000907851646 609626109 /nfs/dbraw/zinc/62/61/09/609626109.db2.gz BPBIDVHDVOEYCQ-GOSISDBHSA-N 1 1 343.431 0.449 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908013369 609636923 /nfs/dbraw/zinc/63/69/23/609636923.db2.gz BHLLHPMDEKHRRW-KFWWJZLASA-N 1 1 344.481 0.244 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000908013167 609636988 /nfs/dbraw/zinc/63/69/88/609636988.db2.gz AGKNEWADQBRBEU-HZPDHXFCSA-N 1 1 349.456 0.972 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000908013167 609636990 /nfs/dbraw/zinc/63/69/90/609636990.db2.gz AGKNEWADQBRBEU-HZPDHXFCSA-N 1 1 349.456 0.972 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)o1 ZINC000908016587 609638160 /nfs/dbraw/zinc/63/81/60/609638160.db2.gz XPEJDVHTSGVVPZ-OLZOCXBDSA-N 1 1 325.390 0.371 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)o1 ZINC000908016587 609638162 /nfs/dbraw/zinc/63/81/62/609638162.db2.gz XPEJDVHTSGVVPZ-OLZOCXBDSA-N 1 1 325.390 0.371 20 30 ECEDMO C=CCn1c(-c2cnsn2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000908719876 609658075 /nfs/dbraw/zinc/65/80/75/609658075.db2.gz HALYFBIIJGNAFM-GFCCVEGCSA-N 1 1 347.448 0.894 20 30 ECEDMO C=CCn1c(-c2cnsn2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000908719877 609658143 /nfs/dbraw/zinc/65/81/43/609658143.db2.gz HALYFBIIJGNAFM-LBPRGKRZSA-N 1 1 347.448 0.894 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000920190637 609675387 /nfs/dbraw/zinc/67/53/87/609675387.db2.gz FLWLGZZEJJSLHG-IAGOWNOFSA-N 1 1 344.459 0.881 20 30 ECEDMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CC1(C#N)CC1)C2 ZINC000920276342 609677842 /nfs/dbraw/zinc/67/78/42/609677842.db2.gz WKZRCWOCBRLMLT-IXYNUQLISA-N 1 1 341.477 0.689 20 30 ECEDMO C#CCN(C(=O)NCC(C)(C)S(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000921319173 609702881 /nfs/dbraw/zinc/70/28/81/609702881.db2.gz KOUDWHLVYUCJFS-UHFFFAOYSA-N 1 1 329.466 0.549 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2c(C)nn(COC)c2C)CC1 ZINC000921438202 609716733 /nfs/dbraw/zinc/71/67/33/609716733.db2.gz UDMWNYQSVRMISJ-UHFFFAOYSA-N 1 1 340.449 0.480 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC000948775394 609744666 /nfs/dbraw/zinc/74/46/66/609744666.db2.gz HNOKSTNTGJDYDD-OWCLPIDISA-N 1 1 335.448 0.568 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000948820366 609756847 /nfs/dbraw/zinc/75/68/47/609756847.db2.gz GASIYHRPCNVBDC-CQSZACIVSA-N 1 1 348.447 0.587 20 30 ECEDMO C=C(C)C[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1)C(=O)OC ZINC000913661543 609808347 /nfs/dbraw/zinc/80/83/47/609808347.db2.gz NMFSAMBIACWCSB-KBPBESRZSA-N 1 1 340.420 0.886 20 30 ECEDMO C=C(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1)C(=O)OC ZINC000913661543 609808348 /nfs/dbraw/zinc/80/83/48/609808348.db2.gz NMFSAMBIACWCSB-KBPBESRZSA-N 1 1 340.420 0.886 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929752589 609815936 /nfs/dbraw/zinc/81/59/36/609815936.db2.gz MDOAEBXPLCWOSX-KGLIPLIRSA-N 1 1 341.477 0.079 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cccc(S(N)(=O)=O)c2C)CC1 ZINC000151800700 609817004 /nfs/dbraw/zinc/81/70/04/609817004.db2.gz BJMBSDRRNVRBCZ-UHFFFAOYSA-N 1 1 335.429 0.424 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C ZINC000947853517 611719003 /nfs/dbraw/zinc/71/90/03/611719003.db2.gz RLRQCBGOAZFWMU-ZBFHGGJFSA-N 1 1 330.432 0.853 20 30 ECEDMO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC(C)(C)C#N ZINC000914390364 609884124 /nfs/dbraw/zinc/88/41/24/609884124.db2.gz ADYDQICDQUXAEQ-UHFFFAOYSA-N 1 1 330.498 0.824 20 30 ECEDMO C#CC[C@H]1NC(=O)N(C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000925408151 609885305 /nfs/dbraw/zinc/88/53/05/609885305.db2.gz PEUQVRFNEQFWOA-GZBFAFLISA-N 1 1 329.404 0.747 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000925408153 609885347 /nfs/dbraw/zinc/88/53/47/609885347.db2.gz PEUQVRFNEQFWOA-KCQAQPDRSA-N 1 1 329.404 0.747 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H](C)N1CC#N ZINC000916843261 609951070 /nfs/dbraw/zinc/95/10/70/609951070.db2.gz UNNRDZSDMLIZDZ-QKPAOTATSA-N 1 1 335.452 0.477 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000938779975 609995343 /nfs/dbraw/zinc/99/53/43/609995343.db2.gz MJULJSZKOHPXNI-CVEARBPZSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000938779975 609995347 /nfs/dbraw/zinc/99/53/47/609995347.db2.gz MJULJSZKOHPXNI-CVEARBPZSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000912969932 610026138 /nfs/dbraw/zinc/02/61/38/610026138.db2.gz QFCRJIJKUMRDQN-LJQANCHMSA-N 1 1 328.412 0.610 20 30 ECEDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cccc(C#CCO)c1 ZINC000912992542 610028511 /nfs/dbraw/zinc/02/85/11/610028511.db2.gz ZFNPTCZFHYAILT-INIZCTEOSA-N 1 1 329.400 0.100 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000938968747 610058745 /nfs/dbraw/zinc/05/87/45/610058745.db2.gz NNABVSPPJMKRBL-HZPDHXFCSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000939007117 610067867 /nfs/dbraw/zinc/06/78/67/610067867.db2.gz UXMUNVBXXHAKNV-RBSFLKMASA-N 1 1 337.464 0.977 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000939007117 610067868 /nfs/dbraw/zinc/06/78/68/610067868.db2.gz UXMUNVBXXHAKNV-RBSFLKMASA-N 1 1 337.464 0.977 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000939750129 610113672 /nfs/dbraw/zinc/11/36/72/610113672.db2.gz AVIXUQMOQRPNQX-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000939750069 610113703 /nfs/dbraw/zinc/11/37/03/610113703.db2.gz LOCNFUCAYFQODT-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCc3cnns3)C2)CC1 ZINC000939808164 610136000 /nfs/dbraw/zinc/13/60/00/610136000.db2.gz CGQXFSAYBUOWOT-CZUORRHYSA-N 1 1 347.488 0.820 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](NCc3nccn3C)C2)CC1 ZINC000939811790 610137263 /nfs/dbraw/zinc/13/72/63/610137263.db2.gz UOZQFTSGAXABLH-DOTOQJQBSA-N 1 1 343.475 0.702 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000939406540 610192763 /nfs/dbraw/zinc/19/27/63/610192763.db2.gz QVRYKDDGARAIDL-VXGBXAGGSA-N 1 1 333.392 0.569 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000940063080 610198960 /nfs/dbraw/zinc/19/89/60/610198960.db2.gz XRMQUHMGSCRRBB-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000940098602 610208026 /nfs/dbraw/zinc/20/80/26/610208026.db2.gz BRTDPKJWNFXXTC-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnnc(C)c2)C1 ZINC000940167837 610231334 /nfs/dbraw/zinc/23/13/34/610231334.db2.gz JPTQLYAITXHRPQ-CVEARBPZSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnnc(C)c2)C1 ZINC000940167837 610231335 /nfs/dbraw/zinc/23/13/35/610231335.db2.gz JPTQLYAITXHRPQ-CVEARBPZSA-N 1 1 341.415 0.213 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000939565227 610239358 /nfs/dbraw/zinc/23/93/58/610239358.db2.gz OLLCUUIGZCWEQG-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(Cl)cnn3C)CC2)C1 ZINC000941410906 610301942 /nfs/dbraw/zinc/30/19/42/610301942.db2.gz RATZFHHCJHBDNW-UHFFFAOYSA-N 1 1 335.839 0.539 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)C1 ZINC000941411336 610302251 /nfs/dbraw/zinc/30/22/51/610302251.db2.gz ZVOVNJSHGPNPHZ-HNNXBMFYSA-N 1 1 329.448 0.844 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)C1 ZINC000941411337 610302322 /nfs/dbraw/zinc/30/23/22/610302322.db2.gz ZVOVNJSHGPNPHZ-OAHLLOKOSA-N 1 1 329.448 0.844 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCOC[C@@H]3OC)CC2)C1 ZINC000941432502 610312762 /nfs/dbraw/zinc/31/27/62/610312762.db2.gz BJNKSZRTDZCDCB-WMZOPIPTSA-N 1 1 349.475 0.280 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N[C@@H](C)C3)CC2)C1 ZINC000941468100 610328535 /nfs/dbraw/zinc/32/85/35/610328535.db2.gz MMHWLAPUNZUHGR-LSDHHAIUSA-N 1 1 334.464 0.306 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000940688516 610330978 /nfs/dbraw/zinc/33/09/78/610330978.db2.gz AQIPNYHHSAMUNL-NSHDSACASA-N 1 1 327.816 0.953 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000940688516 610330979 /nfs/dbraw/zinc/33/09/79/610330979.db2.gz AQIPNYHHSAMUNL-NSHDSACASA-N 1 1 327.816 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC000941464878 610333780 /nfs/dbraw/zinc/33/37/80/610333780.db2.gz BAACWJULFPYQKG-HOTGVXAUSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC000941464878 610333781 /nfs/dbraw/zinc/33/37/81/610333781.db2.gz BAACWJULFPYQKG-HOTGVXAUSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000941465458 610334244 /nfs/dbraw/zinc/33/42/44/610334244.db2.gz MGGGWUNGTKJFPR-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000941465458 610334246 /nfs/dbraw/zinc/33/42/46/610334246.db2.gz MGGGWUNGTKJFPR-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cn3nc(C)cc3C)CC2)C1 ZINC000941480192 610334939 /nfs/dbraw/zinc/33/49/39/610334939.db2.gz HBNBOTKNEMWDIG-UHFFFAOYSA-N 1 1 329.448 0.352 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1 ZINC000941500721 610345107 /nfs/dbraw/zinc/34/51/07/610345107.db2.gz ZWJUJZOEWPPVNT-HZPDHXFCSA-N 1 1 329.448 0.538 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000940745673 610347394 /nfs/dbraw/zinc/34/73/94/610347394.db2.gz SGDZAHSRMARAPF-DZGCQCFKSA-N 1 1 343.431 0.613 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000940761404 610353351 /nfs/dbraw/zinc/35/33/51/610353351.db2.gz GUDXMSYOLPWWSO-MGPQQGTHSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3cncnc3)CC2)C1 ZINC000941533791 610365349 /nfs/dbraw/zinc/36/53/49/610365349.db2.gz IKVZLGGIQFUAML-HNNXBMFYSA-N 1 1 329.448 0.985 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc(OC)cc(OC)n2)C(C)(C)C1 ZINC000940842667 610396030 /nfs/dbraw/zinc/39/60/30/610396030.db2.gz MAOZVAXSRQGGDD-LBPRGKRZSA-N 1 1 332.404 0.957 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc4nncn4c3)CC2)C1 ZINC000941605518 610404360 /nfs/dbraw/zinc/40/43/60/610404360.db2.gz MCUUUTQDOSZWLE-UHFFFAOYSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)cc1 ZINC000941596712 610413901 /nfs/dbraw/zinc/41/39/01/610413901.db2.gz NSSMLODHRSBCRG-UHFFFAOYSA-N 1 1 343.427 0.133 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000941673898 610446982 /nfs/dbraw/zinc/44/69/82/610446982.db2.gz GGHIUSUUVRKGIJ-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C3CCC(NC(C)=O)CC3)CC2)C1 ZINC000941687879 610464450 /nfs/dbraw/zinc/46/44/50/610464450.db2.gz VFZXCMFXSAXAMA-UHFFFAOYSA-N 1 1 348.491 0.696 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](C)C1 ZINC000942498188 610482668 /nfs/dbraw/zinc/48/26/68/610482668.db2.gz XPNQAJZULFBCOG-HUUCEWRRSA-N 1 1 343.493 0.815 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)CC2(C)C)nn1 ZINC000941085380 610528819 /nfs/dbraw/zinc/52/88/19/610528819.db2.gz OBJVMTZJEILFEA-ZDUSSCGKSA-N 1 1 334.424 0.040 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)CC2(C)C)nn1 ZINC000941085380 610528820 /nfs/dbraw/zinc/52/88/20/610528820.db2.gz OBJVMTZJEILFEA-ZDUSSCGKSA-N 1 1 334.424 0.040 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C(C)(C)C1 ZINC000941094122 610543469 /nfs/dbraw/zinc/54/34/69/610543469.db2.gz YFNCUWKKOMOBGQ-ZDUSSCGKSA-N 1 1 327.388 0.898 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000941161463 610569663 /nfs/dbraw/zinc/56/96/63/610569663.db2.gz PEMGDUSBASOAAS-JTQLQIEISA-N 1 1 336.392 0.913 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000941206800 610596205 /nfs/dbraw/zinc/59/62/05/610596205.db2.gz OAMYXVJWNIIUPG-ZDUSSCGKSA-N 1 1 334.420 0.120 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C(C)(C)C1 ZINC000941217413 610601349 /nfs/dbraw/zinc/60/13/49/610601349.db2.gz OEMXPOJETILEJN-CQSZACIVSA-N 1 1 340.431 0.907 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000941230718 610602302 /nfs/dbraw/zinc/60/23/02/610602302.db2.gz JQTZCFYBMCNVMV-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cn(CC)cn2)C1 ZINC000941237574 610620719 /nfs/dbraw/zinc/62/07/19/610620719.db2.gz CKOBMLNLDADGFJ-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cn(CC)cn2)C1 ZINC000941237574 610620721 /nfs/dbraw/zinc/62/07/21/610620721.db2.gz CKOBMLNLDADGFJ-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C(C)(C)C1 ZINC000941237285 610620919 /nfs/dbraw/zinc/62/09/19/610620919.db2.gz KHYLWTJKTJHGBX-CABCVRRESA-N 1 1 329.448 0.999 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000941237838 610621799 /nfs/dbraw/zinc/62/17/99/610621799.db2.gz KSODHMKPADQGID-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000941237838 610621801 /nfs/dbraw/zinc/62/18/01/610621801.db2.gz KSODHMKPADQGID-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000941238275 610622254 /nfs/dbraw/zinc/62/22/54/610622254.db2.gz XDJVXNOEDLZTIT-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000941238275 610622256 /nfs/dbraw/zinc/62/22/56/610622256.db2.gz XDJVXNOEDLZTIT-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000941349654 610685825 /nfs/dbraw/zinc/68/58/25/610685825.db2.gz OZWIDMSTZYUAEP-GJZGRUSLSA-N 1 1 346.435 0.034 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2nc(OC)cc(OC)n2)[C@@H](C)C1 ZINC000942184416 610687919 /nfs/dbraw/zinc/68/79/19/610687919.db2.gz SLJZJYFCQXXJPL-STQMWFEESA-N 1 1 332.404 0.957 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC000941410169 610723153 /nfs/dbraw/zinc/72/31/53/610723153.db2.gz BJWJKPKXCBFDPL-UHFFFAOYSA-N 1 1 331.420 0.503 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H](C)C1 ZINC000944136095 610752537 /nfs/dbraw/zinc/75/25/37/610752537.db2.gz RRKWOUYFCNUPTH-GHMZBOCLSA-N 1 1 334.376 0.360 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)cn1 ZINC000944169548 610763660 /nfs/dbraw/zinc/76/36/60/610763660.db2.gz DSZHSLIMWFSENG-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000943264931 610768501 /nfs/dbraw/zinc/76/85/01/610768501.db2.gz NYJJDBHKFBUOMV-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2C)nc1 ZINC000944193070 610776264 /nfs/dbraw/zinc/77/62/64/610776264.db2.gz RAUPCZSTNOSHMN-ZBFHGGJFSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1C ZINC000944213301 610785990 /nfs/dbraw/zinc/78/59/90/610785990.db2.gz CMTIOWZHOVYEKV-GOEBONIOSA-N 1 1 331.416 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](C)OC)C2)CC1 ZINC000944966053 610860159 /nfs/dbraw/zinc/86/01/59/610860159.db2.gz BWZRBMFZBDSTAG-CVEARBPZSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](C)OC)C2)CC1 ZINC000944966053 610860160 /nfs/dbraw/zinc/86/01/60/610860160.db2.gz BWZRBMFZBDSTAG-CVEARBPZSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C)nn1 ZINC000943480719 610868236 /nfs/dbraw/zinc/86/82/36/610868236.db2.gz FXBCNVAUESHRKW-HIFRSBDPSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2C)nn1 ZINC000943483589 610869745 /nfs/dbraw/zinc/86/97/45/610869745.db2.gz YHKHIFUMLBIUPZ-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2 ZINC000945034808 610889931 /nfs/dbraw/zinc/88/99/31/610889931.db2.gz GJUAWKPRRBUITO-HOTGVXAUSA-N 1 1 342.443 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2 ZINC000945034808 610889932 /nfs/dbraw/zinc/88/99/32/610889932.db2.gz GJUAWKPRRBUITO-HOTGVXAUSA-N 1 1 342.443 0.695 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H](C)C1 ZINC000943648051 610928080 /nfs/dbraw/zinc/92/80/80/610928080.db2.gz SAZBGDHLKRHUEL-SWLSCSKDSA-N 1 1 341.415 0.795 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2nc3nccc(C)n3n2)[C@H](C)C1 ZINC000944531853 610950999 /nfs/dbraw/zinc/95/09/99/610950999.db2.gz KEEYDGRNCCXPEW-OCCSQVGLSA-N 1 1 326.404 0.896 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(=O)NC)n2)[C@H](C)C1 ZINC000944532353 610951833 /nfs/dbraw/zinc/95/18/33/610951833.db2.gz KUUJNBWRLILPPO-ZIAGYGMSSA-N 1 1 328.416 0.905 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000943970182 611054423 /nfs/dbraw/zinc/05/44/23/611054423.db2.gz BJLXZOIZVVMTIY-BPLDGKMQSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cn(C)cn1 ZINC000943961968 611058224 /nfs/dbraw/zinc/05/82/24/611058224.db2.gz PDPDJZZZHNSEAK-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cn(C)cn1 ZINC000943961968 611058227 /nfs/dbraw/zinc/05/82/27/611058227.db2.gz PDPDJZZZHNSEAK-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC000944010075 611082905 /nfs/dbraw/zinc/08/29/05/611082905.db2.gz WYQMLEJKVVJTOA-SJORKVTESA-N 1 1 347.459 0.616 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 ZINC000944032263 611097205 /nfs/dbraw/zinc/09/72/05/611097205.db2.gz GIOBBSQSHKOYLE-UONOGXRCSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cccn1C ZINC000944098590 611131115 /nfs/dbraw/zinc/13/11/15/611131115.db2.gz ZJGXGHPXPZMGHP-WBVHZDCISA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cccn1C ZINC000944098590 611131117 /nfs/dbraw/zinc/13/11/17/611131117.db2.gz ZJGXGHPXPZMGHP-WBVHZDCISA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1CC(OC)C1 ZINC000944100783 611131791 /nfs/dbraw/zinc/13/17/91/611131791.db2.gz OOGHPFDSBSAMGK-MYBQVCMBSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1CC(OC)C1 ZINC000944100783 611131792 /nfs/dbraw/zinc/13/17/92/611131792.db2.gz OOGHPFDSBSAMGK-MYBQVCMBSA-N 1 1 347.459 0.616 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3nc4ncccn4n3)CC[C@@H]2C1 ZINC000946826600 611176200 /nfs/dbraw/zinc/17/62/00/611176200.db2.gz HYXGELLPYDCQKQ-GASCZTMLSA-N 1 1 338.415 0.932 20 30 ECEDMO C#CCN(C(=O)NCCS(=O)(=O)C1CC1)C1CC[NH+](C)CC1 ZINC000922901213 611178505 /nfs/dbraw/zinc/17/85/05/611178505.db2.gz YNQXQMLBGXEKGZ-UHFFFAOYSA-N 1 1 327.450 0.303 20 30 ECEDMO C=CCn1cc(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)nn1 ZINC000922956017 611186405 /nfs/dbraw/zinc/18/64/05/611186405.db2.gz UBXKLULRAQUNAY-UONOGXRCSA-N 1 1 336.465 0.843 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CC[C@@H]2C1 ZINC000946859404 611202751 /nfs/dbraw/zinc/20/27/51/611202751.db2.gz SRRFFMGAWSDQOX-TXEJJXNPSA-N 1 1 348.403 0.866 20 30 ECEDMO C#C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)C1CCOCC1 ZINC000923327155 611230211 /nfs/dbraw/zinc/23/02/11/611230211.db2.gz QAPDUHLTPMQYOB-SJORKVTESA-N 1 1 335.448 0.967 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC[C@@H]2C1 ZINC000946915378 611258029 /nfs/dbraw/zinc/25/80/29/611258029.db2.gz GBAIRKAYISUWEH-QLFBSQMISA-N 1 1 331.416 0.233 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2nnn(Cc3cc(C)no3)c2C)C1 ZINC000923559179 611261391 /nfs/dbraw/zinc/26/13/91/611261391.db2.gz IDMQMHNXOCXVAU-AWEZNQCLSA-N 1 1 342.403 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nnn(Cc3cc(C)no3)c2C)C1 ZINC000923559179 611261394 /nfs/dbraw/zinc/26/13/94/611261394.db2.gz IDMQMHNXOCXVAU-AWEZNQCLSA-N 1 1 342.403 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)C1 ZINC000923560364 611261902 /nfs/dbraw/zinc/26/19/02/611261902.db2.gz UNUHVGGTHBIXDC-UKRRQHHQSA-N 1 1 341.477 0.307 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)C1 ZINC000923560364 611261903 /nfs/dbraw/zinc/26/19/03/611261903.db2.gz UNUHVGGTHBIXDC-UKRRQHHQSA-N 1 1 341.477 0.307 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000923557723 611262793 /nfs/dbraw/zinc/26/27/93/611262793.db2.gz OCMWMOLFVFXVSN-OAHLLOKOSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000923557723 611262796 /nfs/dbraw/zinc/26/27/96/611262796.db2.gz OCMWMOLFVFXVSN-OAHLLOKOSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3c(cnn3C)c2OC)C1 ZINC000923565662 611264173 /nfs/dbraw/zinc/26/41/73/611264173.db2.gz KHGWJIQGRKMIFX-GFCCVEGCSA-N 1 1 327.388 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(cnn3C)c2OC)C1 ZINC000923565662 611264174 /nfs/dbraw/zinc/26/41/74/611264174.db2.gz KHGWJIQGRKMIFX-GFCCVEGCSA-N 1 1 327.388 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)C1 ZINC000923581830 611269602 /nfs/dbraw/zinc/26/96/02/611269602.db2.gz KPTKTAJIRWIQNQ-HUUCEWRRSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)C1 ZINC000923581830 611269604 /nfs/dbraw/zinc/26/96/04/611269604.db2.gz KPTKTAJIRWIQNQ-HUUCEWRRSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000923590018 611270276 /nfs/dbraw/zinc/27/02/76/611270276.db2.gz WMPVCBQHLHFZTB-CYBMUJFWSA-N 1 1 325.372 0.005 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000923590018 611270277 /nfs/dbraw/zinc/27/02/77/611270277.db2.gz WMPVCBQHLHFZTB-CYBMUJFWSA-N 1 1 325.372 0.005 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000923591327 611270860 /nfs/dbraw/zinc/27/08/60/611270860.db2.gz WIUNUCFSEZALGS-CQSZACIVSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000923591327 611270863 /nfs/dbraw/zinc/27/08/63/611270863.db2.gz WIUNUCFSEZALGS-CQSZACIVSA-N 1 1 335.429 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000946496297 611285281 /nfs/dbraw/zinc/28/52/81/611285281.db2.gz MGLYBCUJMGVMLC-DOMZBBRYSA-N 1 1 343.431 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)[C@H](C)C2)nc1 ZINC000947947719 611294341 /nfs/dbraw/zinc/29/43/41/611294341.db2.gz JACRFYFUUWBANI-UKRRQHHQSA-N 1 1 328.416 0.734 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]2CC1 ZINC000946514783 611294716 /nfs/dbraw/zinc/29/47/16/611294716.db2.gz OKNYPVGPUFYPRL-WCXIOVBPSA-N 1 1 345.447 0.574 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1=O ZINC000925344723 611296114 /nfs/dbraw/zinc/29/61/14/611296114.db2.gz MLMBELMEDAESIS-PIGZVRMJSA-N 1 1 332.404 0.014 20 30 ECEDMO O=C(C#Cc1ccccc1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922344527 611347520 /nfs/dbraw/zinc/34/75/20/611347520.db2.gz PQSMAMQFUYSDEA-IBGZPJMESA-N 1 1 341.455 0.951 20 30 ECEDMO N#CCSCC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922346283 611347757 /nfs/dbraw/zinc/34/77/57/611347757.db2.gz DVZWTOMEHRXESM-CQSZACIVSA-N 1 1 326.466 0.156 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@H]1C ZINC000947944131 611750526 /nfs/dbraw/zinc/75/05/26/611750526.db2.gz RHIVORDMDMTXNA-DGCLKSJQSA-N 1 1 325.368 0.786 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000929668379 611779246 /nfs/dbraw/zinc/77/92/46/611779246.db2.gz HPJSJOXDJNXOND-KRWDZBQOSA-N 1 1 329.400 0.833 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000929668379 611779249 /nfs/dbraw/zinc/77/92/49/611779249.db2.gz HPJSJOXDJNXOND-KRWDZBQOSA-N 1 1 329.400 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccnc2)C1 ZINC000950645085 611814489 /nfs/dbraw/zinc/81/44/89/611814489.db2.gz GWNHIZZKNCGUAP-OIISXLGYSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccnc2)C1 ZINC000950645085 611814493 /nfs/dbraw/zinc/81/44/93/611814493.db2.gz GWNHIZZKNCGUAP-OIISXLGYSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccnc(F)c1 ZINC000949057759 611833197 /nfs/dbraw/zinc/83/31/97/611833197.db2.gz LEWWSMYBYKNHAH-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccnc(F)c1 ZINC000949057759 611833199 /nfs/dbraw/zinc/83/31/99/611833199.db2.gz LEWWSMYBYKNHAH-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cn(C)nc1C ZINC000949161900 611883871 /nfs/dbraw/zinc/88/38/71/611883871.db2.gz WLLVOSMREYBOCK-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cn(C)nc1C ZINC000949161900 611883874 /nfs/dbraw/zinc/88/38/74/611883874.db2.gz WLLVOSMREYBOCK-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnnc(C)c1 ZINC000950755258 611890571 /nfs/dbraw/zinc/89/05/71/611890571.db2.gz IEGMHNUWOGWKPU-HOTGVXAUSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnnc(C)c1 ZINC000950755258 611890572 /nfs/dbraw/zinc/89/05/72/611890572.db2.gz IEGMHNUWOGWKPU-HOTGVXAUSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1nccn1CC ZINC000950756001 611891875 /nfs/dbraw/zinc/89/18/75/611891875.db2.gz ZSQVWRWIJQFSNQ-CABCVRRESA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1nccn1CC ZINC000950756001 611891876 /nfs/dbraw/zinc/89/18/76/611891876.db2.gz ZSQVWRWIJQFSNQ-CABCVRRESA-N 1 1 343.431 0.331 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)cn1 ZINC000949184463 611892895 /nfs/dbraw/zinc/89/28/95/611892895.db2.gz MPNAGQCNOZAFNM-FRFSOERESA-N 1 1 340.427 0.591 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC000950197304 611902272 /nfs/dbraw/zinc/90/22/72/611902272.db2.gz WJGIPOXXTPHFQT-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000949214255 611903150 /nfs/dbraw/zinc/90/31/50/611903150.db2.gz UBCFVJLNYCDMGO-IAQYHMDHSA-N 1 1 340.387 0.668 20 30 ECEDMO C#CCN1CCC2(CC1)CN(C(=O)C1CC[NH+](CC#C)CC1)CCO2 ZINC000949250901 611919356 /nfs/dbraw/zinc/91/93/56/611919356.db2.gz CRSUDGDTTIHGCP-UHFFFAOYSA-N 1 1 343.471 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC000949264986 611922933 /nfs/dbraw/zinc/92/29/33/611922933.db2.gz VOPAIXMFIDMWLI-HIFRSBDPSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC000949264986 611922935 /nfs/dbraw/zinc/92/29/35/611922935.db2.gz VOPAIXMFIDMWLI-HIFRSBDPSA-N 1 1 342.399 0.216 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000950252380 611929430 /nfs/dbraw/zinc/92/94/30/611929430.db2.gz PQYGPGHOTYRAMD-IJEWVQPXSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949293720 611929928 /nfs/dbraw/zinc/92/99/28/611929928.db2.gz UWQCSQOZGBMVSY-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3C(=O)OC)CC2)C1 ZINC000949317386 611936529 /nfs/dbraw/zinc/93/65/29/611936529.db2.gz LAMPLKHCMYPAKL-HUUCEWRRSA-N 1 1 334.416 0.512 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950861148 611950314 /nfs/dbraw/zinc/95/03/14/611950314.db2.gz AHKMBRKPLAWCCP-KGLIPLIRSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)Cc3nnc(C)[nH]3)CC2)C1 ZINC000949362458 611952753 /nfs/dbraw/zinc/95/27/53/611952753.db2.gz PIKPVNJOQCWPGN-UHFFFAOYSA-N 1 1 333.436 0.925 20 30 ECEDMO C=CCN1CCOC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370144 611954677 /nfs/dbraw/zinc/95/46/77/611954677.db2.gz LHXSSIARBPWJPK-DLBZAZTESA-N 1 1 349.475 0.729 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC000949378867 611957614 /nfs/dbraw/zinc/95/76/14/611957614.db2.gz BIIPGAKIVYLQAU-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000950870655 611958704 /nfs/dbraw/zinc/95/87/04/611958704.db2.gz XTFDRQFSVKQWCP-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 ZINC000949433204 611978631 /nfs/dbraw/zinc/97/86/31/611978631.db2.gz IMFKSUKFACNZIR-CQSZACIVSA-N 1 1 336.436 0.280 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949485852 611999903 /nfs/dbraw/zinc/99/99/03/611999903.db2.gz OKJCQSGGCJEMMA-CVEARBPZSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949485852 611999905 /nfs/dbraw/zinc/99/99/05/611999905.db2.gz OKJCQSGGCJEMMA-CVEARBPZSA-N 1 1 339.399 0.315 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](CCCO)CCO3)nc1 ZINC000949509690 612014890 /nfs/dbraw/zinc/01/48/90/612014890.db2.gz XBEVCFFINSUMBD-UHFFFAOYSA-N 1 1 343.427 0.752 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)c2cc(C)[nH]n2)CC1 ZINC000950428377 612015315 /nfs/dbraw/zinc/01/53/15/612015315.db2.gz KDLPDBKFALNLQC-OAHLLOKOSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nccc(C)n2)C1 ZINC000950533753 612057803 /nfs/dbraw/zinc/05/78/03/612057803.db2.gz KNXPATDFEUQDAX-KRWDZBQOSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nccc(C)n2)C1 ZINC000950533753 612057805 /nfs/dbraw/zinc/05/78/05/612057805.db2.gz KNXPATDFEUQDAX-KRWDZBQOSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cn(CC)nn2)C1 ZINC000950534725 612058448 /nfs/dbraw/zinc/05/84/48/612058448.db2.gz YLNOIKBWIIXWBJ-KRWDZBQOSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cn(CC)nn2)C1 ZINC000950534725 612058450 /nfs/dbraw/zinc/05/84/50/612058450.db2.gz YLNOIKBWIIXWBJ-KRWDZBQOSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC000951224025 612089012 /nfs/dbraw/zinc/08/90/12/612089012.db2.gz WJYLIGCWZIVWCS-CVEARBPZSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC000951224025 612089013 /nfs/dbraw/zinc/08/90/13/612089013.db2.gz WJYLIGCWZIVWCS-CVEARBPZSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000951223859 612089058 /nfs/dbraw/zinc/08/90/58/612089058.db2.gz RJHHBENCDONEPM-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000951223859 612089059 /nfs/dbraw/zinc/08/90/59/612089059.db2.gz RJHHBENCDONEPM-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1conc1C ZINC000951887055 612114476 /nfs/dbraw/zinc/11/44/76/612114476.db2.gz XCSZFKYQVYTQAK-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1conc1C ZINC000951887055 612114477 /nfs/dbraw/zinc/11/44/77/612114477.db2.gz XCSZFKYQVYTQAK-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000951901167 612123908 /nfs/dbraw/zinc/12/39/08/612123908.db2.gz VDXBKCPVGDFGGL-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000951901167 612123911 /nfs/dbraw/zinc/12/39/11/612123911.db2.gz VDXBKCPVGDFGGL-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000952034506 612193043 /nfs/dbraw/zinc/19/30/43/612193043.db2.gz OBWMQQSVSGFNBE-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000953192229 612198563 /nfs/dbraw/zinc/19/85/63/612198563.db2.gz GDOFWUUSAVCBTD-CXAGYDPISA-N 1 1 329.404 0.802 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)c3cc(C)[nH]n3)C2)CC1 ZINC000953828055 612327766 /nfs/dbraw/zinc/32/77/66/612327766.db2.gz GBWHIIZWRPURIO-UHFFFAOYSA-N 1 1 343.431 0.346 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2oncc2C)C1 ZINC000955202286 612346612 /nfs/dbraw/zinc/34/66/12/612346612.db2.gz AWFMIJPVWJDCPB-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2oncc2C)C1 ZINC000955202286 612346617 /nfs/dbraw/zinc/34/66/17/612346617.db2.gz AWFMIJPVWJDCPB-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)CCc3cnc[nH]3)C2)c1 ZINC000955263483 612392529 /nfs/dbraw/zinc/39/25/29/612392529.db2.gz FPESVHHESCIBOY-UHFFFAOYSA-N 1 1 337.383 0.702 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000953906412 612424794 /nfs/dbraw/zinc/42/47/94/612424794.db2.gz BRARPELJUXLKSR-OAGGEKHMSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000954630350 612467155 /nfs/dbraw/zinc/46/71/55/612467155.db2.gz COZUHRGBDXVZTM-KRWDZBQOSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc[nH]c2CC)C1 ZINC000954631333 612470508 /nfs/dbraw/zinc/47/05/08/612470508.db2.gz WXAIJBLNTXTBKK-KRWDZBQOSA-N 1 1 342.443 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc[nH]c2CC)C1 ZINC000954631333 612470511 /nfs/dbraw/zinc/47/05/11/612470511.db2.gz WXAIJBLNTXTBKK-KRWDZBQOSA-N 1 1 342.443 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]cc2C)C1 ZINC000954632194 612471112 /nfs/dbraw/zinc/47/11/12/612471112.db2.gz RNXCBSOAHCOJRJ-INIZCTEOSA-N 1 1 328.416 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]cc2C)C1 ZINC000954632194 612471115 /nfs/dbraw/zinc/47/11/15/612471115.db2.gz RNXCBSOAHCOJRJ-INIZCTEOSA-N 1 1 328.416 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC2(F)F)C1 ZINC000954632544 612472208 /nfs/dbraw/zinc/47/22/08/612472208.db2.gz ZTLNKVOCVSRORV-KGLIPLIRSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC2(F)F)C1 ZINC000954632544 612472211 /nfs/dbraw/zinc/47/22/11/612472211.db2.gz ZTLNKVOCVSRORV-KGLIPLIRSA-N 1 1 339.386 0.799 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000955928052 612494506 /nfs/dbraw/zinc/49/45/06/612494506.db2.gz WYPZQTDVNVWTPK-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ocnc2C)C1 ZINC000953980219 612521264 /nfs/dbraw/zinc/52/12/64/612521264.db2.gz PIRYJCQDHJBNNQ-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ocnc2C)C1 ZINC000953980219 612521265 /nfs/dbraw/zinc/52/12/65/612521265.db2.gz PIRYJCQDHJBNNQ-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954709867 612579827 /nfs/dbraw/zinc/57/98/27/612579827.db2.gz LGJVEPQGTGTSQI-OAHLLOKOSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000246765559 612608741 /nfs/dbraw/zinc/60/87/41/612608741.db2.gz QXHOGXSISQTUGH-HZSPNIEDSA-N 1 1 326.441 0.428 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000954073723 612632652 /nfs/dbraw/zinc/63/26/52/612632652.db2.gz SZOHFHKMZPDBSX-STQMWFEESA-N 1 1 343.431 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2nccs2)C1 ZINC000951802426 612638058 /nfs/dbraw/zinc/63/80/58/612638058.db2.gz SQOGCUSXOFUGRT-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2nccs2)C1 ZINC000951802426 612638061 /nfs/dbraw/zinc/63/80/61/612638061.db2.gz SQOGCUSXOFUGRT-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2coc(C)c2)C1 ZINC000954142500 612709866 /nfs/dbraw/zinc/70/98/66/612709866.db2.gz GLHMATWCYXWHMZ-INIZCTEOSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2coc(C)c2)C1 ZINC000954142500 612709869 /nfs/dbraw/zinc/70/98/69/612709869.db2.gz GLHMATWCYXWHMZ-INIZCTEOSA-N 1 1 329.400 0.968 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000954915128 612784871 /nfs/dbraw/zinc/78/48/71/612784871.db2.gz WECCKDMFVMLGPU-SHBDPFAUSA-N 1 1 347.459 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2ccon2)CC1 ZINC000956308422 612823639 /nfs/dbraw/zinc/82/36/39/612823639.db2.gz GQRSJXJPBBDMAA-HNNXBMFYSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2ccon2)CC1 ZINC000956308422 612823641 /nfs/dbraw/zinc/82/36/41/612823641.db2.gz GQRSJXJPBBDMAA-HNNXBMFYSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cccnc2C)C1 ZINC000955016867 612857038 /nfs/dbraw/zinc/85/70/38/612857038.db2.gz QJBAXTXNQORTHL-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cccnc2C)C1 ZINC000955016867 612857041 /nfs/dbraw/zinc/85/70/41/612857041.db2.gz QJBAXTXNQORTHL-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)c1 ZINC000954326713 612858084 /nfs/dbraw/zinc/85/80/84/612858084.db2.gz NFYSPAKMAZZGHY-UHFFFAOYSA-N 1 1 337.383 0.551 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000954386844 612887534 /nfs/dbraw/zinc/88/75/34/612887534.db2.gz HTJYXBKQIMPFKS-BBWFWOEESA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000954386844 612887537 /nfs/dbraw/zinc/88/75/37/612887537.db2.gz HTJYXBKQIMPFKS-BBWFWOEESA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cnccn2)C1 ZINC000956661335 612928969 /nfs/dbraw/zinc/92/89/69/612928969.db2.gz MSTKGNYVKYSFQN-MAUKXSAKSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cnccn2)C1 ZINC000956661335 612928970 /nfs/dbraw/zinc/92/89/70/612928970.db2.gz MSTKGNYVKYSFQN-MAUKXSAKSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)C2=COCCC2)C1 ZINC000956762497 612944966 /nfs/dbraw/zinc/94/49/66/612944966.db2.gz LEFFLHLTPLPHQY-QFBILLFUSA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)C2=COCCC2)C1 ZINC000956762497 612944967 /nfs/dbraw/zinc/94/49/67/612944967.db2.gz LEFFLHLTPLPHQY-QFBILLFUSA-N 1 1 345.443 0.886 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC001041782131 782194718 /nfs/dbraw/zinc/19/47/18/782194718.db2.gz RIIWEXKBIAUWJW-MAUKXSAKSA-N 1 1 332.448 0.867 20 30 ECEDMO Cc1ncc(C#N)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737597 720670047 /nfs/dbraw/zinc/67/00/47/720670047.db2.gz GLTQBOOTOHFFSA-LSDHHAIUSA-N 1 1 337.387 0.789 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C#N)nc(C)n3)CC[C@@H]2C1 ZINC001164860067 720889410 /nfs/dbraw/zinc/88/94/10/720889410.db2.gz ODTWUUIVXWSSMK-GDBMZVCRSA-N 1 1 331.420 0.830 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC001041785778 782201354 /nfs/dbraw/zinc/20/13/54/782201354.db2.gz NFANMPFAOSUTKT-KRWDZBQOSA-N 1 1 334.420 0.381 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@]1(C)CCOC1 ZINC001078042204 782202968 /nfs/dbraw/zinc/20/29/68/782202968.db2.gz SVKIUSQTXHXYHG-RLFYNMQTSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@]1(C)CCOC1 ZINC001078042204 782202976 /nfs/dbraw/zinc/20/29/76/782202976.db2.gz SVKIUSQTXHXYHG-RLFYNMQTSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC000981957208 751340089 /nfs/dbraw/zinc/34/00/89/751340089.db2.gz GDAKMBHMPAZVGL-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO Cc1nc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001104538187 738447259 /nfs/dbraw/zinc/44/72/59/738447259.db2.gz LRRQHXAEIMTBOI-SWLSCSKDSA-N 1 1 331.420 0.851 20 30 ECEDMO Cc1nc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001104538187 738447261 /nfs/dbraw/zinc/44/72/61/738447261.db2.gz LRRQHXAEIMTBOI-SWLSCSKDSA-N 1 1 331.420 0.851 20 30 ECEDMO CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC000969115623 731478364 /nfs/dbraw/zinc/47/83/64/731478364.db2.gz SFZZZSBWGGJZAM-LBPRGKRZSA-N 1 1 348.403 0.894 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCCCC[N@H+]1CC(N)=O ZINC000969121811 731493458 /nfs/dbraw/zinc/49/34/58/731493458.db2.gz NVVOGTUIRHFMSU-AWEZNQCLSA-N 1 1 344.415 0.553 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(N)=O ZINC000969121811 731493461 /nfs/dbraw/zinc/49/34/61/731493461.db2.gz NVVOGTUIRHFMSU-AWEZNQCLSA-N 1 1 344.415 0.553 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001078054994 782218639 /nfs/dbraw/zinc/21/86/39/782218639.db2.gz WBTYZJUIDKNMMG-ZIAGYGMSSA-N 1 1 326.356 0.134 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001078054994 782218644 /nfs/dbraw/zinc/21/86/44/782218644.db2.gz WBTYZJUIDKNMMG-ZIAGYGMSSA-N 1 1 326.356 0.134 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069974971 790267206 /nfs/dbraw/zinc/26/72/06/790267206.db2.gz ZEGPRUJMXJGBER-CVEARBPZSA-N 1 1 343.435 0.709 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000969142210 731521710 /nfs/dbraw/zinc/52/17/10/731521710.db2.gz YRMLTILIUZSGJC-ZDUSSCGKSA-N 1 1 332.404 0.484 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1ccncc1C#N ZINC001125278469 731547497 /nfs/dbraw/zinc/54/74/97/731547497.db2.gz DHVMIEYNWLDGBJ-GDBMZVCRSA-N 1 1 345.447 0.693 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C2)C1 ZINC001041794271 782222547 /nfs/dbraw/zinc/22/25/47/782222547.db2.gz RAMPYDPSEWINBH-LJQANCHMSA-N 1 1 337.379 0.741 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C)no3)C2)C1=O ZINC000969288410 731679972 /nfs/dbraw/zinc/67/99/72/731679972.db2.gz XRISEBSRWRRBAI-OCCSQVGLSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001211498836 731746624 /nfs/dbraw/zinc/74/66/24/731746624.db2.gz DDEXBWCWHGYGPF-IUODEOHRSA-N 1 1 332.404 0.433 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973010210 738537773 /nfs/dbraw/zinc/53/77/73/738537773.db2.gz MHCOYLFVCQLZTO-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973010210 738537778 /nfs/dbraw/zinc/53/77/78/738537778.db2.gz MHCOYLFVCQLZTO-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001041805225 782238874 /nfs/dbraw/zinc/23/88/74/782238874.db2.gz IHOIIZJUDKWEOD-LJQANCHMSA-N 1 1 325.412 0.620 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC000969421228 731848297 /nfs/dbraw/zinc/84/82/97/731848297.db2.gz VVDGTCCMLVMOQI-HIFRSBDPSA-N 1 1 345.447 0.864 20 30 ECEDMO Cc1nc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001041808417 782243796 /nfs/dbraw/zinc/24/37/96/782243796.db2.gz HJROWIUMFSWIGK-WQVCFCJDSA-N 1 1 343.431 0.533 20 30 ECEDMO Cc1nc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001041808417 782243803 /nfs/dbraw/zinc/24/38/03/782243803.db2.gz HJROWIUMFSWIGK-WQVCFCJDSA-N 1 1 343.431 0.533 20 30 ECEDMO CC(C)N1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000969506131 731935040 /nfs/dbraw/zinc/93/50/40/731935040.db2.gz NBCIWTLURIWNCI-BLLLJJGKSA-N 1 1 343.431 0.946 20 30 ECEDMO CC(C)N1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000969514760 731935871 /nfs/dbraw/zinc/93/58/71/731935871.db2.gz RMVBMBJAKIWAJP-BLLLJJGKSA-N 1 1 343.431 0.946 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1COCCN1C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969516427 731936442 /nfs/dbraw/zinc/93/64/42/731936442.db2.gz BNZCELXOZJAWET-WBMJQRKESA-N 1 1 348.472 0.887 20 30 ECEDMO COCCC(=O)N1CC[C@@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001111963866 738557947 /nfs/dbraw/zinc/55/79/47/738557947.db2.gz YOFPNDRCURLFJV-OAHLLOKOSA-N 1 1 344.419 0.108 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)C3=CCOCC3)C2)C1=O ZINC000969549616 731958228 /nfs/dbraw/zinc/95/82/28/731958228.db2.gz UUJXLIBQOPUOPA-BBRMVZONSA-N 1 1 333.432 0.557 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(OCC)no2)[C@@H](n2ccnn2)C1 ZINC001069981634 790275416 /nfs/dbraw/zinc/27/54/16/790275416.db2.gz OVHQATWWVPXXRT-OLZOCXBDSA-N 1 1 344.375 0.343 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(OCC)no2)[C@@H](n2ccnn2)C1 ZINC001069981634 790275421 /nfs/dbraw/zinc/27/54/21/790275421.db2.gz OVHQATWWVPXXRT-OLZOCXBDSA-N 1 1 344.375 0.343 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1)C1CC1 ZINC000973046639 738580328 /nfs/dbraw/zinc/58/03/28/738580328.db2.gz GDAUOSPUNMXTQX-HNNXBMFYSA-N 1 1 343.431 0.947 20 30 ECEDMO CN(C(=O)C[N@H+]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1)C1CC1 ZINC000973046639 738580331 /nfs/dbraw/zinc/58/03/31/738580331.db2.gz GDAUOSPUNMXTQX-HNNXBMFYSA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973049216 738582341 /nfs/dbraw/zinc/58/23/41/738582341.db2.gz ZKPBJZDLNGCTKI-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973049216 738582343 /nfs/dbraw/zinc/58/23/43/738582343.db2.gz ZKPBJZDLNGCTKI-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2ccc(OC)nn2)CC1 ZINC001098524840 732332521 /nfs/dbraw/zinc/33/25/21/732332521.db2.gz SXRGHYOZTJKBMT-UHFFFAOYSA-N 1 1 334.420 0.960 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001041816192 782260206 /nfs/dbraw/zinc/26/02/06/782260206.db2.gz LVHUQYJZWRHMGH-GOSISDBHSA-N 1 1 346.431 0.265 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC001098526350 732523541 /nfs/dbraw/zinc/52/35/41/732523541.db2.gz HBMZINFXCFXYCI-OAHLLOKOSA-N 1 1 349.435 0.324 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CCCn2nc(C)nc2C)CC1 ZINC001098528768 732892252 /nfs/dbraw/zinc/89/22/52/732892252.db2.gz PLSJSNNSAYVHRB-UHFFFAOYSA-N 1 1 347.463 0.594 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)CC1 ZINC001039114380 732960048 /nfs/dbraw/zinc/96/00/48/732960048.db2.gz ZCEHVHFFNKJGMG-HIFRSBDPSA-N 1 1 341.477 0.751 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)COc3ccc(C(N)=O)cc3)C2)C1 ZINC001041837534 782314516 /nfs/dbraw/zinc/31/45/16/782314516.db2.gz JPIWRYTYJOUQTN-IBGZPJMESA-N 1 1 341.411 0.722 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001206946981 733111444 /nfs/dbraw/zinc/11/14/44/733111444.db2.gz AAIODTKXCSODCW-RRFJBIMHSA-N 1 1 328.478 0.763 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001206946981 733111447 /nfs/dbraw/zinc/11/14/47/733111447.db2.gz AAIODTKXCSODCW-RRFJBIMHSA-N 1 1 328.478 0.763 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001078114651 782322621 /nfs/dbraw/zinc/32/26/21/782322621.db2.gz SNQQBPWIKNAUCR-HUUCEWRRSA-N 1 1 332.400 0.431 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC001041843663 782324679 /nfs/dbraw/zinc/32/46/79/782324679.db2.gz VFJTXNQCOOTPPA-MAUKXSAKSA-N 1 1 327.432 0.788 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(CC)n3)C2)nn1 ZINC000970223832 733234709 /nfs/dbraw/zinc/23/47/09/733234709.db2.gz BPWUCCWZPLXKEV-CYBMUJFWSA-N 1 1 344.423 0.470 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970268734 733282300 /nfs/dbraw/zinc/28/23/00/733282300.db2.gz OHMWHPQXMMMPDJ-MLGOLLRUSA-N 1 1 326.400 0.631 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3ccccc3O2)C1 ZINC001078123398 782339324 /nfs/dbraw/zinc/33/93/24/782339324.db2.gz QPMQXLUBKSFVJC-CKEIUWERSA-N 1 1 332.400 0.954 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2O)CC1 ZINC000970328678 733364480 /nfs/dbraw/zinc/36/44/80/733364480.db2.gz DTLUCXKNZGWVNQ-ZACQAIPSSA-N 1 1 349.475 0.905 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1nccc(OC)n1 ZINC001104253718 733368483 /nfs/dbraw/zinc/36/84/83/733368483.db2.gz XBEORMGTSOKYDJ-KGLIPLIRSA-N 1 1 331.420 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1nccc(OC)n1 ZINC001104253718 733368488 /nfs/dbraw/zinc/36/84/88/733368488.db2.gz XBEORMGTSOKYDJ-KGLIPLIRSA-N 1 1 331.420 0.747 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnn(C)n2)nc1 ZINC001025141737 738712920 /nfs/dbraw/zinc/71/29/20/738712920.db2.gz CPXNSTVGZHKQQQ-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCCNC3=O)C2)c1 ZINC000970399524 733470602 /nfs/dbraw/zinc/47/06/02/733470602.db2.gz QNSLEEJQDJXUGV-LRDDRELGSA-N 1 1 326.400 0.392 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000970511643 733630602 /nfs/dbraw/zinc/63/06/02/733630602.db2.gz NSSRHQWYSRHLDU-CYBMUJFWSA-N 1 1 340.387 0.226 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(CC)n3C)C2)cn1 ZINC000970519022 733638685 /nfs/dbraw/zinc/63/86/85/733638685.db2.gz FIKPTYXLKQJNDM-OAHLLOKOSA-N 1 1 338.415 0.758 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC000970544442 733661585 /nfs/dbraw/zinc/66/15/85/733661585.db2.gz MSOUBSXYOARSLS-DOMZBBRYSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC000970566819 733681081 /nfs/dbraw/zinc/68/10/81/733681081.db2.gz LXMBHBNTEOHWBR-RPVQJOFSSA-N 1 1 340.427 0.671 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3nccs3)C2)C1=O ZINC000970632635 733762672 /nfs/dbraw/zinc/76/26/72/733762672.db2.gz VTOXZCQWYUYJRA-WCQYABFASA-N 1 1 334.445 0.980 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)CC1 ZINC000970636700 733766995 /nfs/dbraw/zinc/76/69/95/733766995.db2.gz UZVLSOXWHGFNMN-OIISXLGYSA-N 1 1 349.475 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC000970767038 733925056 /nfs/dbraw/zinc/92/50/56/733925056.db2.gz OUYQXPGAMQHYOL-MLGOLLRUSA-N 1 1 326.400 0.344 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cnc(C)cn3)C2)C1=O ZINC000971016382 734180970 /nfs/dbraw/zinc/18/09/70/734180970.db2.gz UWAGOXMXWDMGDY-GOEBONIOSA-N 1 1 343.431 0.718 20 30 ECEDMO C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001167422087 734210997 /nfs/dbraw/zinc/21/09/97/734210997.db2.gz IDEYSTQYGBDZQF-CQSZACIVSA-N 1 1 345.447 0.214 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001078158616 782400013 /nfs/dbraw/zinc/40/00/13/782400013.db2.gz NNFAGZOTLMNOSO-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001078158616 782400021 /nfs/dbraw/zinc/40/00/21/782400021.db2.gz NNFAGZOTLMNOSO-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO Cc1cc(N2CCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)c(C#N)cn1 ZINC001104318159 734277140 /nfs/dbraw/zinc/27/71/40/734277140.db2.gz CJXINEXDAKPYDJ-MRXNPFEDSA-N 1 1 345.447 0.923 20 30 ECEDMO Cc1nc(N2CCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)ccc1C#N ZINC001104318269 734278230 /nfs/dbraw/zinc/27/82/30/734278230.db2.gz FEHMKAJPHPJDFG-MRXNPFEDSA-N 1 1 345.447 0.923 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 ZINC001104323208 734302622 /nfs/dbraw/zinc/30/26/22/734302622.db2.gz LAGGPTNIRIFBRT-AWEZNQCLSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C)n[nH]3)C2)C1=O ZINC000971160762 734326020 /nfs/dbraw/zinc/32/60/20/734326020.db2.gz MKKNLHODXOFJPZ-HIFRSBDPSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000971160762 734326022 /nfs/dbraw/zinc/32/60/22/734326022.db2.gz MKKNLHODXOFJPZ-HIFRSBDPSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000971160762 734326025 /nfs/dbraw/zinc/32/60/25/734326025.db2.gz MKKNLHODXOFJPZ-HIFRSBDPSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cc(C)nn3C)C2)C1=O ZINC000971163391 734330238 /nfs/dbraw/zinc/33/02/38/734330238.db2.gz VNKJINFGFXCNGP-HUUCEWRRSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ncoc3C)C2)C1=O ZINC000971174062 734337049 /nfs/dbraw/zinc/33/70/49/734337049.db2.gz QSPPYZNSKKEZQK-KGLIPLIRSA-N 1 1 332.404 0.916 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)oc3ccccc32)C1 ZINC001078163337 782408449 /nfs/dbraw/zinc/40/84/49/782408449.db2.gz IMTBGOXMVGOSEP-TZMCWYRMSA-N 1 1 331.372 0.332 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNc2ccc(C#N)cn2)C1 ZINC001111489053 734402102 /nfs/dbraw/zinc/40/21/02/734402102.db2.gz GTUCYALBFLVESR-AWEZNQCLSA-N 1 1 331.420 0.528 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 ZINC001098550352 734448898 /nfs/dbraw/zinc/44/88/98/734448898.db2.gz JLNKBFGXWURPKQ-MRXNPFEDSA-N 1 1 337.464 0.859 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC000949507180 734450675 /nfs/dbraw/zinc/45/06/75/734450675.db2.gz WTIZQEZOZQUQJK-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3ncccc3O)C2)C1=O ZINC000971394184 734506739 /nfs/dbraw/zinc/50/67/39/734506739.db2.gz NKHDSMYTAFSPGF-KGLIPLIRSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ncccc3O)C2)C1=O ZINC000971394184 734506742 /nfs/dbraw/zinc/50/67/42/734506742.db2.gz NKHDSMYTAFSPGF-KGLIPLIRSA-N 1 1 344.415 0.720 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 ZINC001104349480 734520045 /nfs/dbraw/zinc/52/00/45/734520045.db2.gz HGYFPTWWTOIRAF-KGLIPLIRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000973145126 738826906 /nfs/dbraw/zinc/82/69/06/738826906.db2.gz UMTDQWUMKWLCPG-UBHSHLNASA-N 1 1 329.404 0.605 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451898 734610207 /nfs/dbraw/zinc/61/02/07/734610207.db2.gz MYUAOVFQWSNTIE-LSDHHAIUSA-N 1 1 328.372 0.699 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](C)OC)C[C@@H]32)nn1 ZINC001083219827 734675457 /nfs/dbraw/zinc/67/54/57/734675457.db2.gz PMNOKYAYESFFTP-VNQPRFMTSA-N 1 1 349.435 0.414 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC000971555587 734744698 /nfs/dbraw/zinc/74/46/98/734744698.db2.gz GXOMSGOMKRAHBI-XHSDSOJGSA-N 1 1 333.436 0.792 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC000973173889 738855521 /nfs/dbraw/zinc/85/55/21/738855521.db2.gz BXIKJVSRSIUULG-QAETUUGQSA-N 1 1 342.443 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC000973173889 738855525 /nfs/dbraw/zinc/85/55/25/738855525.db2.gz BXIKJVSRSIUULG-QAETUUGQSA-N 1 1 342.443 0.910 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC000971635254 734850034 /nfs/dbraw/zinc/85/00/34/734850034.db2.gz ZEWWOXXLORAFCY-KBPBESRZSA-N 1 1 343.855 0.767 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC000971635254 734850038 /nfs/dbraw/zinc/85/00/38/734850038.db2.gz ZEWWOXXLORAFCY-KBPBESRZSA-N 1 1 343.855 0.767 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CCNC(=O)c2ccco2)CC1 ZINC001098555421 734894867 /nfs/dbraw/zinc/89/48/67/734894867.db2.gz IJKHMHNSUOACPH-UHFFFAOYSA-N 1 1 347.415 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H](C)CCC)C1 ZINC001041932057 782452484 /nfs/dbraw/zinc/45/24/84/782452484.db2.gz CNMAPGXFRNGQTC-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H](C)CCC)C1 ZINC001041932057 782452487 /nfs/dbraw/zinc/45/24/87/782452487.db2.gz CNMAPGXFRNGQTC-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC000971739175 735009155 /nfs/dbraw/zinc/00/91/55/735009155.db2.gz JIGDCOBAQMLDIK-UONOGXRCSA-N 1 1 345.403 0.115 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)C2CCN(C(N)=O)CC2)CC1 ZINC001098556073 735070299 /nfs/dbraw/zinc/07/02/99/735070299.db2.gz DZGRPYBXNCFSPB-UHFFFAOYSA-N 1 1 338.452 0.248 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3n[nH]nc3C)C2)C1=O ZINC000972061253 735595155 /nfs/dbraw/zinc/59/51/55/735595155.db2.gz KXXRKLZPZHRLCZ-STQMWFEESA-N 1 1 332.408 0.046 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972215630 735797429 /nfs/dbraw/zinc/79/74/29/735797429.db2.gz ILGZKQYHRSFEKT-HNNXBMFYSA-N 1 1 326.400 0.856 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(N4CCCC4)nn3)[C@H]2C1 ZINC001083245451 735798921 /nfs/dbraw/zinc/79/89/21/735798921.db2.gz SBJCVCNPTKYZRL-JKSUJKDBSA-N 1 1 343.431 0.788 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N4CCCC4)nn3)[C@H]2C1 ZINC001083245451 735798924 /nfs/dbraw/zinc/79/89/24/735798924.db2.gz SBJCVCNPTKYZRL-JKSUJKDBSA-N 1 1 343.431 0.788 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCCNC3=O)C2)c1 ZINC000972283713 735886510 /nfs/dbraw/zinc/88/65/10/735886510.db2.gz CJDIOWOKJCOBJX-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C(Cl)CN1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083247715 735996088 /nfs/dbraw/zinc/99/60/88/735996088.db2.gz CFRGTSNKYLODLV-QLFBSQMISA-N 1 1 327.856 0.992 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccn(CC)n3)C2)C1 ZINC000972389551 736106547 /nfs/dbraw/zinc/10/65/47/736106547.db2.gz PXQFUEOHCDHKMC-GOSISDBHSA-N 1 1 330.432 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccn(CC)n3)C2)C1 ZINC000972389551 736106549 /nfs/dbraw/zinc/10/65/49/736106549.db2.gz PXQFUEOHCDHKMC-GOSISDBHSA-N 1 1 330.432 0.772 20 30 ECEDMO C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972432153 736182816 /nfs/dbraw/zinc/18/28/16/736182816.db2.gz YUOXOZVXGHHOPD-NUJGCVRESA-N 1 1 337.464 0.585 20 30 ECEDMO C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972432153 736182818 /nfs/dbraw/zinc/18/28/18/736182818.db2.gz YUOXOZVXGHHOPD-NUJGCVRESA-N 1 1 337.464 0.585 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435964 736187353 /nfs/dbraw/zinc/18/73/53/736187353.db2.gz SETYLWZQDYGJNQ-SFHVURJKSA-N 1 1 346.431 0.906 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435964 736187355 /nfs/dbraw/zinc/18/73/55/736187355.db2.gz SETYLWZQDYGJNQ-SFHVURJKSA-N 1 1 346.431 0.906 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972440805 736199906 /nfs/dbraw/zinc/19/99/06/736199906.db2.gz LJHMUNSLENPWSO-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001098571882 736202535 /nfs/dbraw/zinc/20/25/35/736202535.db2.gz YGMVWZVNCHYJRP-OAHLLOKOSA-N 1 1 345.447 0.149 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)nc3COC)C2)C1 ZINC000972441965 736205093 /nfs/dbraw/zinc/20/50/93/736205093.db2.gz XONYSSUMFIDUPL-GOSISDBHSA-N 1 1 346.431 0.507 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)nc3COC)C2)C1 ZINC000972441965 736205097 /nfs/dbraw/zinc/20/50/97/736205097.db2.gz XONYSSUMFIDUPL-GOSISDBHSA-N 1 1 346.431 0.507 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 ZINC000972446262 736217988 /nfs/dbraw/zinc/21/79/88/736217988.db2.gz JBSMSVCCMPMNSO-SFHVURJKSA-N 1 1 333.432 0.326 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 ZINC000972446262 736217991 /nfs/dbraw/zinc/21/79/91/736217991.db2.gz JBSMSVCCMPMNSO-SFHVURJKSA-N 1 1 333.432 0.326 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001041972734 782520619 /nfs/dbraw/zinc/52/06/19/782520619.db2.gz IAROLNZWHHRGGB-HNNXBMFYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 ZINC000972458850 736253330 /nfs/dbraw/zinc/25/33/30/736253330.db2.gz OLHOSSRDCBMDGX-CRAIPNDOSA-N 1 1 335.448 0.925 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000972480046 736304716 /nfs/dbraw/zinc/30/47/16/736304716.db2.gz GNNSULISXRQYBQ-QZTJIDSGSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972495159 736395810 /nfs/dbraw/zinc/39/58/10/736395810.db2.gz XUWZXSJYUWORNL-YJBOKZPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513046 736504957 /nfs/dbraw/zinc/50/49/57/736504957.db2.gz DCCBORFWZQHXDR-ZWKOTPCHSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513046 736504958 /nfs/dbraw/zinc/50/49/58/736504958.db2.gz DCCBORFWZQHXDR-ZWKOTPCHSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cncn3C)C2)nn1 ZINC000972515946 736522165 /nfs/dbraw/zinc/52/21/65/736522165.db2.gz DPTXPGWLSYHIQK-CQSZACIVSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cncn3C)C2)nn1 ZINC000972515946 736522167 /nfs/dbraw/zinc/52/21/67/736522167.db2.gz DPTXPGWLSYHIQK-CQSZACIVSA-N 1 1 343.435 0.934 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972525096 736570950 /nfs/dbraw/zinc/57/09/50/736570950.db2.gz YLWJDILBROISFR-KRWDZBQOSA-N 1 1 332.404 0.126 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972525096 736570953 /nfs/dbraw/zinc/57/09/53/736570953.db2.gz YLWJDILBROISFR-KRWDZBQOSA-N 1 1 332.404 0.126 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1)C1CC1 ZINC001023296144 736655789 /nfs/dbraw/zinc/65/57/89/736655789.db2.gz PSZVYTDBQDBQNT-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)[nH]1 ZINC001023318090 736674322 /nfs/dbraw/zinc/67/43/22/736674322.db2.gz BXYWBQGJDHQEJF-CYBMUJFWSA-N 1 1 344.419 0.353 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023320138 736680139 /nfs/dbraw/zinc/68/01/39/736680139.db2.gz SSJQMLKUDHIRLO-OLZOCXBDSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023320219 736680327 /nfs/dbraw/zinc/68/03/27/736680327.db2.gz XDEOCFUKGKEDHD-OLZOCXBDSA-N 1 1 331.420 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)C1 ZINC000972551503 736699210 /nfs/dbraw/zinc/69/92/10/736699210.db2.gz BGAPOUPZSHNMTM-SFHVURJKSA-N 1 1 345.447 0.973 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)C1 ZINC000972551503 736699214 /nfs/dbraw/zinc/69/92/14/736699214.db2.gz BGAPOUPZSHNMTM-SFHVURJKSA-N 1 1 345.447 0.973 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972553094 736718754 /nfs/dbraw/zinc/71/87/54/736718754.db2.gz YUOPFMUWPLIXCA-RVKKMQEKSA-N 1 1 335.448 0.590 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972553094 736718758 /nfs/dbraw/zinc/71/87/58/736718758.db2.gz YUOPFMUWPLIXCA-RVKKMQEKSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001023363004 736741347 /nfs/dbraw/zinc/74/13/47/736741347.db2.gz YZWBEHGLNVOULQ-UONOGXRCSA-N 1 1 331.420 0.638 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001023465511 736872013 /nfs/dbraw/zinc/87/20/13/736872013.db2.gz UPIJTKZEKFGMEP-LBPRGKRZSA-N 1 1 341.433 0.945 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001023469490 736880799 /nfs/dbraw/zinc/88/07/99/736880799.db2.gz GBOINFFQIFIMAK-CYBMUJFWSA-N 1 1 342.399 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001023502916 736928368 /nfs/dbraw/zinc/92/83/68/736928368.db2.gz KAWIXEXUZBGLJI-KSZLIROESA-N 1 1 349.475 0.328 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001023507566 736932263 /nfs/dbraw/zinc/93/22/63/736932263.db2.gz VFCQLPPRTMDKIY-AWEZNQCLSA-N 1 1 341.415 0.796 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001023507994 736933256 /nfs/dbraw/zinc/93/32/56/736933256.db2.gz FRAZOBMNROFQIL-YESZJQIVSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001023510835 736936596 /nfs/dbraw/zinc/93/65/96/736936596.db2.gz SGHNYQXBGXMXJC-CYBMUJFWSA-N 1 1 327.392 0.685 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 ZINC001098577532 736947711 /nfs/dbraw/zinc/94/77/11/736947711.db2.gz LPYICFARSVFZGB-WBVHZDCISA-N 1 1 338.448 0.489 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972586620 736976723 /nfs/dbraw/zinc/97/67/23/736976723.db2.gz ZNTPSZSNSPHZAC-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972586620 736976724 /nfs/dbraw/zinc/97/67/24/736976724.db2.gz ZNTPSZSNSPHZAC-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972586619 736976993 /nfs/dbraw/zinc/97/69/93/736976993.db2.gz ZNTPSZSNSPHZAC-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972586619 736976997 /nfs/dbraw/zinc/97/69/97/736976997.db2.gz ZNTPSZSNSPHZAC-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CCOC)c3)[C@H]2C1 ZINC001083261719 736993059 /nfs/dbraw/zinc/99/30/59/736993059.db2.gz JDOIUUCNBRFWHD-JKSUJKDBSA-N 1 1 334.420 0.631 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CCOC)c3)[C@H]2C1 ZINC001083261719 736993063 /nfs/dbraw/zinc/99/30/63/736993063.db2.gz JDOIUUCNBRFWHD-JKSUJKDBSA-N 1 1 334.420 0.631 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)s1 ZINC001023566023 737018642 /nfs/dbraw/zinc/01/86/42/737018642.db2.gz HSSKOQKPCSGPBI-FZMZJTMJSA-N 1 1 347.444 0.629 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC000972596742 737034057 /nfs/dbraw/zinc/03/40/57/737034057.db2.gz OHJOUQMFERRVJL-GOSISDBHSA-N 1 1 349.431 0.309 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnnn3C)C2)c1 ZINC001023583096 737038980 /nfs/dbraw/zinc/03/89/80/737038980.db2.gz XOJGQPWITYACOO-OAHLLOKOSA-N 1 1 338.415 0.833 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnnn3C)C2)c1 ZINC001023583096 737038984 /nfs/dbraw/zinc/03/89/84/737038984.db2.gz XOJGQPWITYACOO-OAHLLOKOSA-N 1 1 338.415 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CCCOC)C1 ZINC001059847349 751382234 /nfs/dbraw/zinc/38/22/34/751382234.db2.gz PTJQLLVJEPWOHR-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CCCOC)C1 ZINC001059847349 751382241 /nfs/dbraw/zinc/38/22/41/751382241.db2.gz PTJQLLVJEPWOHR-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001023637311 737123697 /nfs/dbraw/zinc/12/36/97/737123697.db2.gz HTPFNZNQKNDPRT-ZOBUZTSGSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)nn1 ZINC001023638187 737125315 /nfs/dbraw/zinc/12/53/15/737125315.db2.gz ZICLDHRKZULADF-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccn(C)n3)C2)nn1 ZINC001023638187 737125319 /nfs/dbraw/zinc/12/53/19/737125319.db2.gz ZICLDHRKZULADF-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001023639628 737127990 /nfs/dbraw/zinc/12/79/90/737127990.db2.gz LAEWMTRTZCHLLC-DZGCQCFKSA-N 1 1 348.451 0.560 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001023647006 737135842 /nfs/dbraw/zinc/13/58/42/737135842.db2.gz SMHIMMUZEBSQPM-CYBMUJFWSA-N 1 1 327.388 0.900 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3ccncn3)C2)C1=O ZINC001023658846 737158042 /nfs/dbraw/zinc/15/80/42/737158042.db2.gz VROLZOOHHJHTOK-ZBFHGGJFSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cn(CC)nn3)C2)C1=O ZINC000972636851 737191481 /nfs/dbraw/zinc/19/14/81/737191481.db2.gz WYZFRSLPOFOVGS-DZGCQCFKSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001023692855 737207111 /nfs/dbraw/zinc/20/71/11/737207111.db2.gz MMKRBSFMRSHDPW-CQSZACIVSA-N 1 1 331.420 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001023694691 737209098 /nfs/dbraw/zinc/20/90/98/737209098.db2.gz HWYCFDVVSXZQRB-ZDUSSCGKSA-N 1 1 329.400 0.935 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001023699999 737218299 /nfs/dbraw/zinc/21/82/99/737218299.db2.gz AGDAFLHYMQHUEG-CYBMUJFWSA-N 1 1 344.419 0.826 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001023700342 737218883 /nfs/dbraw/zinc/21/88/83/737218883.db2.gz MSYCERYHVIZUKJ-LLVKDONJSA-N 1 1 336.392 0.914 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)nc1 ZINC001023708496 737226688 /nfs/dbraw/zinc/22/66/88/737226688.db2.gz GRTZCECASGWDKC-OAHLLOKOSA-N 1 1 340.427 0.783 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001023730508 737254015 /nfs/dbraw/zinc/25/40/15/737254015.db2.gz YTSARYYUGAVKGI-GJZGRUSLSA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001023730508 737254021 /nfs/dbraw/zinc/25/40/21/737254021.db2.gz YTSARYYUGAVKGI-GJZGRUSLSA-N 1 1 343.855 0.814 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655983 737263656 /nfs/dbraw/zinc/26/36/56/737263656.db2.gz QSPIIBWANIQFAU-AEFFLSMTSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC[NH2+]Cc1nc(CC)no1 ZINC001167677856 737304031 /nfs/dbraw/zinc/30/40/31/737304031.db2.gz JCPZNDRFZZZVON-CYBMUJFWSA-N 1 1 337.424 0.699 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN([C@H](C)C(=O)NC)C2)CC1 ZINC001023759293 737320088 /nfs/dbraw/zinc/32/00/88/737320088.db2.gz FCNVHDLJCFPDGY-HZPDHXFCSA-N 1 1 348.491 0.294 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC001098581867 737325411 /nfs/dbraw/zinc/32/54/11/737325411.db2.gz FMPGSNWNMSUUGD-UHFFFAOYSA-N 1 1 330.432 0.680 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972674266 737344410 /nfs/dbraw/zinc/34/44/10/737344410.db2.gz BLRSKJZNINACNP-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3noc4c3COCC4)C2)C1 ZINC000972683747 737372697 /nfs/dbraw/zinc/37/26/97/737372697.db2.gz PBUYHCOXHKRMMV-SFHVURJKSA-N 1 1 345.399 0.688 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3noc4c3COCC4)C2)C1 ZINC000972683747 737372702 /nfs/dbraw/zinc/37/27/02/737372702.db2.gz PBUYHCOXHKRMMV-SFHVURJKSA-N 1 1 345.399 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2n2ccnn2)cc1 ZINC001069993926 790288642 /nfs/dbraw/zinc/28/86/42/790288642.db2.gz VSEPGCIWMLDZFB-SJORKVTESA-N 1 1 339.399 0.561 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2n2ccnn2)cc1 ZINC001069993926 790288646 /nfs/dbraw/zinc/28/86/46/790288646.db2.gz VSEPGCIWMLDZFB-SJORKVTESA-N 1 1 339.399 0.561 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC000972757601 737599002 /nfs/dbraw/zinc/59/90/02/737599002.db2.gz SZMGFWBCWWKOOM-STQMWFEESA-N 1 1 330.388 0.114 20 30 ECEDMO C=C(C)CC[N@H+](CCO)C1CCN(C(=O)CCc2cn(C)nn2)CC1 ZINC001098584120 737672825 /nfs/dbraw/zinc/67/28/25/737672825.db2.gz LYCNVXQUBBBVBO-UHFFFAOYSA-N 1 1 349.479 0.999 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CCNC(=O)CC(C)C)CC1 ZINC001098584268 737712710 /nfs/dbraw/zinc/71/27/10/737712710.db2.gz RUEPKYGGNTYRAR-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC(C)(C)O)C[C@H]21 ZINC000972835010 737758790 /nfs/dbraw/zinc/75/87/90/737758790.db2.gz KZLMYAMIDOAEFG-OWCLPIDISA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC(C)(C)O)C[C@H]21 ZINC000972835010 737758791 /nfs/dbraw/zinc/75/87/91/737758791.db2.gz KZLMYAMIDOAEFG-OWCLPIDISA-N 1 1 347.459 0.304 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)O1 ZINC000972856650 737777357 /nfs/dbraw/zinc/77/73/57/737777357.db2.gz SSAWMXQOUINFBM-MWQQHZPXSA-N 1 1 345.443 0.178 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)O1 ZINC000972856650 737777361 /nfs/dbraw/zinc/77/73/61/737777361.db2.gz SSAWMXQOUINFBM-MWQQHZPXSA-N 1 1 345.443 0.178 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ccn[nH]2)C1=O ZINC001024346869 737912282 /nfs/dbraw/zinc/91/22/82/737912282.db2.gz SZGVJJHAQQHHPU-HIFRSBDPSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ccn[nH]2)C1=O ZINC001024346869 737912284 /nfs/dbraw/zinc/91/22/84/737912284.db2.gz SZGVJJHAQQHHPU-HIFRSBDPSA-N 1 1 331.420 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ncnn1C ZINC001024487098 738014635 /nfs/dbraw/zinc/01/46/35/738014635.db2.gz LYESDNMOWPOFFQ-HOTGVXAUSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ncnn1C ZINC001024487098 738014638 /nfs/dbraw/zinc/01/46/38/738014638.db2.gz LYESDNMOWPOFFQ-HOTGVXAUSA-N 1 1 344.463 0.383 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001039761093 738038123 /nfs/dbraw/zinc/03/81/23/738038123.db2.gz YROQIFGMDWQKMS-KSSFIOAISA-N 1 1 335.448 0.067 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cncn2C)C1=O ZINC001024536921 738076109 /nfs/dbraw/zinc/07/61/09/738076109.db2.gz WTTZRXCNIRUUMV-GJZGRUSLSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cncn2C)C1=O ZINC001024536921 738076112 /nfs/dbraw/zinc/07/61/12/738076112.db2.gz WTTZRXCNIRUUMV-GJZGRUSLSA-N 1 1 345.447 0.791 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]2CCC[N@@H+](CC(N)=O)[C@@H]21 ZINC001087280659 738082295 /nfs/dbraw/zinc/08/22/95/738082295.db2.gz SFCVKCNVHVQWLR-GLQYFDAESA-N 1 1 329.404 0.590 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001024576315 738123245 /nfs/dbraw/zinc/12/32/45/738123245.db2.gz QYKYPXFGJDTUCP-YESZJQIVSA-N 1 1 335.448 0.616 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CC[C@]2(C)CCC(=O)N2)CC1 ZINC001098588670 738128321 /nfs/dbraw/zinc/12/83/21/738128321.db2.gz NNYGDKIFANRXNZ-IBGZPJMESA-N 1 1 349.475 0.744 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@@H]21 ZINC001087293069 738134929 /nfs/dbraw/zinc/13/49/29/738134929.db2.gz XHQZNUKVVUMTEC-FVQBIDKESA-N 1 1 347.463 0.763 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001087294122 738135206 /nfs/dbraw/zinc/13/52/06/738135206.db2.gz OFDKXMDYYGPJTR-UHOFOFEASA-N 1 1 344.415 0.187 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@H]21 ZINC001087298525 738158141 /nfs/dbraw/zinc/15/81/41/738158141.db2.gz GSWJKXLVBVERDL-JLSDUUJJSA-N 1 1 348.491 0.600 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCN(C(C)=O)CC3)[C@H]2C1 ZINC001083269576 738164106 /nfs/dbraw/zinc/16/41/06/738164106.db2.gz KUBGNROVTWTTDS-DLBZAZTESA-N 1 1 333.432 0.180 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N(C)C)c1 ZINC001024644619 738197829 /nfs/dbraw/zinc/19/78/29/738197829.db2.gz UUEKXJNUNLFETB-MRXNPFEDSA-N 1 1 328.416 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N(C)C)c1 ZINC001024644619 738197830 /nfs/dbraw/zinc/19/78/30/738197830.db2.gz UUEKXJNUNLFETB-MRXNPFEDSA-N 1 1 328.416 0.735 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001024704515 738231701 /nfs/dbraw/zinc/23/17/01/738231701.db2.gz OBYWYNULKAVTQQ-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001024704515 738231703 /nfs/dbraw/zinc/23/17/03/738231703.db2.gz OBYWYNULKAVTQQ-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CCCC)n3)[C@H]2C1 ZINC001083271704 738245638 /nfs/dbraw/zinc/24/56/38/738245638.db2.gz XVEVYZVWJSZKDV-JKSUJKDBSA-N 1 1 346.431 0.755 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CCCC)n3)[C@H]2C1 ZINC001083271704 738245640 /nfs/dbraw/zinc/24/56/40/738245640.db2.gz XVEVYZVWJSZKDV-JKSUJKDBSA-N 1 1 346.431 0.755 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001024761962 738274405 /nfs/dbraw/zinc/27/44/05/738274405.db2.gz LKFIKMPIQQFHEP-CYBMUJFWSA-N 1 1 325.368 0.788 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001024761962 738274410 /nfs/dbraw/zinc/27/44/10/738274410.db2.gz LKFIKMPIQQFHEP-CYBMUJFWSA-N 1 1 325.368 0.788 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001024805361 738310532 /nfs/dbraw/zinc/31/05/32/738310532.db2.gz ABFJVTITYBIVJO-KGLIPLIRSA-N 1 1 329.466 0.615 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@@H+]2CCO)nn1 ZINC001025275087 738998776 /nfs/dbraw/zinc/99/87/76/738998776.db2.gz SCUBHBVHEVIZDY-HOTGVXAUSA-N 1 1 333.436 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2nccc2C)C1 ZINC000973279823 739031832 /nfs/dbraw/zinc/03/18/32/739031832.db2.gz QCYDCXWYQHQLGQ-JYJNAYRXSA-N 1 1 343.431 0.053 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2nccc2C)C1 ZINC000973279823 739031835 /nfs/dbraw/zinc/03/18/35/739031835.db2.gz QCYDCXWYQHQLGQ-JYJNAYRXSA-N 1 1 343.431 0.053 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000973285582 739048905 /nfs/dbraw/zinc/04/89/05/739048905.db2.gz VWVCIRNSVHMKCE-IHRRRGAJSA-N 1 1 346.435 0.183 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccnc(C#N)n1 ZINC001104590129 739146053 /nfs/dbraw/zinc/14/60/53/739146053.db2.gz LSGHZCSRNWLFRF-ZIAGYGMSSA-N 1 1 330.436 0.903 20 30 ECEDMO CCc1nc(C#N)cc(N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001100365076 751417382 /nfs/dbraw/zinc/41/73/82/751417382.db2.gz HGCZZPMJVYWZGG-TZMCWYRMSA-N 1 1 330.436 0.803 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CC(OC)C2)C1 ZINC000973376854 739161331 /nfs/dbraw/zinc/16/13/31/739161331.db2.gz XLKKPDQWGNOFQE-ABSNHQIMSA-N 1 1 333.432 0.272 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CC(OC)C2)C1 ZINC000973376854 739161335 /nfs/dbraw/zinc/16/13/35/739161335.db2.gz XLKKPDQWGNOFQE-ABSNHQIMSA-N 1 1 333.432 0.272 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccnn2C)nn1 ZINC001028187573 751421909 /nfs/dbraw/zinc/42/19/09/751421909.db2.gz LGHDREXZRCXVSZ-CYBMUJFWSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccnn2C)nn1 ZINC001028187573 751421912 /nfs/dbraw/zinc/42/19/12/751421912.db2.gz LGHDREXZRCXVSZ-CYBMUJFWSA-N 1 1 329.408 0.592 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000973432609 739274578 /nfs/dbraw/zinc/27/45/78/739274578.db2.gz KSJXDSQKFXMSSJ-ULQDDVLXSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)N(C)C)nn1 ZINC001028192154 751431832 /nfs/dbraw/zinc/43/18/32/751431832.db2.gz HLLCTPGGYHCSTM-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(C)C)nn1 ZINC001028192154 751431836 /nfs/dbraw/zinc/43/18/36/751431836.db2.gz HLLCTPGGYHCSTM-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cnco2)C1 ZINC001006489745 751442532 /nfs/dbraw/zinc/44/25/32/751442532.db2.gz STBNSPCVKLOFHH-JSGCOSHPSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cnco2)C1 ZINC001006489745 751442537 /nfs/dbraw/zinc/44/25/37/751442537.db2.gz STBNSPCVKLOFHH-JSGCOSHPSA-N 1 1 330.388 0.349 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001078232308 782531127 /nfs/dbraw/zinc/53/11/27/782531127.db2.gz KTKNZSZTQSVCJS-FRRDWIJNSA-N 1 1 335.370 0.751 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001028197273 751455706 /nfs/dbraw/zinc/45/57/06/751455706.db2.gz DBXUEYCKCFIWQD-BRWVUGGUSA-N 1 1 330.432 0.892 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC000982009276 751456019 /nfs/dbraw/zinc/45/60/19/751456019.db2.gz MBTANZJLKSJVLJ-LSDHHAIUSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001025478463 739636572 /nfs/dbraw/zinc/63/65/72/739636572.db2.gz QFOCMCFSMBFOSG-LSDHHAIUSA-N 1 1 348.447 0.906 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2O)CC1 ZINC001025484926 739646805 /nfs/dbraw/zinc/64/68/05/739646805.db2.gz ARTJFGGSPWWBIL-OWCLPIDISA-N 1 1 335.448 0.515 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001025533252 739695264 /nfs/dbraw/zinc/69/52/64/739695264.db2.gz IBGBOIDUVBUXOW-QWRGUYRKSA-N 1 1 341.437 0.073 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccnc3nc(C)nn32)C1 ZINC001025593709 739757666 /nfs/dbraw/zinc/75/76/66/739757666.db2.gz BUDJLSNJHAFRIL-GXTWGEPZSA-N 1 1 326.404 0.896 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025618266 739780781 /nfs/dbraw/zinc/78/07/81/739780781.db2.gz KGOIYLUBIRCBKG-CHWSQXEVSA-N 1 1 332.404 0.340 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCCN(CC(N)=O)C2)CC1 ZINC001025630004 739795072 /nfs/dbraw/zinc/79/50/72/739795072.db2.gz NZDIYZXYKXGXJL-GOEBONIOSA-N 1 1 334.464 0.034 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001025630768 739796971 /nfs/dbraw/zinc/79/69/71/739796971.db2.gz VSSUYWKMQJXCBS-KGLIPLIRSA-N 1 1 348.451 0.560 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCOC)C[C@H]1C(F)(F)F ZINC001112033589 739964515 /nfs/dbraw/zinc/96/45/15/739964515.db2.gz PXAITMWTUUZORY-IJLUTSLNSA-N 1 1 349.353 0.140 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC2(F)F)C1=O ZINC001025817059 739990838 /nfs/dbraw/zinc/99/08/38/739990838.db2.gz XTJGXXNRQINWRZ-BJJPWKGXSA-N 1 1 339.386 0.865 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070007005 790307691 /nfs/dbraw/zinc/30/76/91/790307691.db2.gz UEUJOYZJSQFDCC-IMJJTQAJSA-N 1 1 341.419 0.789 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070007005 790307697 /nfs/dbraw/zinc/30/76/97/790307697.db2.gz UEUJOYZJSQFDCC-IMJJTQAJSA-N 1 1 341.419 0.789 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070006974 790307996 /nfs/dbraw/zinc/30/79/96/790307996.db2.gz RQRNBANBJHCQMF-BMFZPTHFSA-N 1 1 339.403 0.237 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070007192 790308074 /nfs/dbraw/zinc/30/80/74/790308074.db2.gz YIMCBCNFSQPSGR-YUELXQCFSA-N 1 1 327.392 0.399 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070007192 790308080 /nfs/dbraw/zinc/30/80/80/790308080.db2.gz YIMCBCNFSQPSGR-YUELXQCFSA-N 1 1 327.392 0.399 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070007974 790310231 /nfs/dbraw/zinc/31/02/31/790310231.db2.gz KHQZVOQIIUYRLJ-CVEARBPZSA-N 1 1 344.394 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2ncc[nH]2)C1 ZINC000988085646 751514713 /nfs/dbraw/zinc/51/47/13/751514713.db2.gz DWBINLCYNPAJTO-GJZGRUSLSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2ncc[nH]2)C1 ZINC000988085646 751514717 /nfs/dbraw/zinc/51/47/17/751514717.db2.gz DWBINLCYNPAJTO-GJZGRUSLSA-N 1 1 343.431 0.428 20 30 ECEDMO NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001025938402 740267321 /nfs/dbraw/zinc/26/73/21/740267321.db2.gz XBBPJNGKMSVMAE-DZVNLGKHSA-N 1 1 337.423 0.596 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC000982064826 751545291 /nfs/dbraw/zinc/54/52/91/751545291.db2.gz YGAKOTXRPXXOIF-AWEZNQCLSA-N 1 1 341.477 0.521 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)C)C[C@H]1C(F)(F)F ZINC001112048991 740481348 /nfs/dbraw/zinc/48/13/48/740481348.db2.gz ULJQRPYMKAVGJL-IJLUTSLNSA-N 1 1 333.354 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cccn2C)C1 ZINC000973894400 740552453 /nfs/dbraw/zinc/55/24/53/740552453.db2.gz HKXAHOUNILERMQ-LZWOXQAQSA-N 1 1 328.416 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cccn2C)C1 ZINC000973894400 740552457 /nfs/dbraw/zinc/55/24/57/740552457.db2.gz HKXAHOUNILERMQ-LZWOXQAQSA-N 1 1 328.416 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)nn2C)C1 ZINC000973929172 740615460 /nfs/dbraw/zinc/61/54/60/740615460.db2.gz JHXRPWZAGRAGBF-ZNMIVQPWSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)nn2C)C1 ZINC000973929172 740615465 /nfs/dbraw/zinc/61/54/65/740615465.db2.gz JHXRPWZAGRAGBF-ZNMIVQPWSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@H]1C(F)(F)F ZINC001112054972 740646425 /nfs/dbraw/zinc/64/64/25/740646425.db2.gz FDROSPKSVXJKTR-MWLCHTKSSA-N 1 1 344.293 0.017 20 30 ECEDMO CN(CCCN(C)c1ncc(C#N)cc1F)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001112055841 740671811 /nfs/dbraw/zinc/67/18/11/740671811.db2.gz VVNZQPSAMGSTAR-HNNXBMFYSA-N 1 1 349.410 0.708 20 30 ECEDMO CN(CCCN(C)c1ncc(C#N)cc1F)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001112055841 740671815 /nfs/dbraw/zinc/67/18/15/740671815.db2.gz VVNZQPSAMGSTAR-HNNXBMFYSA-N 1 1 349.410 0.708 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000973963379 740686306 /nfs/dbraw/zinc/68/63/06/740686306.db2.gz DWLKUNLPYWLSFX-GUTXKFCHSA-N 1 1 346.435 0.325 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000973963434 740686534 /nfs/dbraw/zinc/68/65/34/740686534.db2.gz FARCTMYYEFWRGZ-NPJQDHAYSA-N 1 1 335.448 0.825 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnn(CC)c2)C1 ZINC000973968528 740692347 /nfs/dbraw/zinc/69/23/47/740692347.db2.gz JUBNESXISWJBBH-XHSDSOJGSA-N 1 1 343.431 0.378 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnn(CC)c2)C1 ZINC000973968528 740692349 /nfs/dbraw/zinc/69/23/49/740692349.db2.gz JUBNESXISWJBBH-XHSDSOJGSA-N 1 1 343.431 0.378 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000973994528 740742360 /nfs/dbraw/zinc/74/23/60/740742360.db2.gz IGLZQCYYGFTVOL-CYUUQNCZSA-N 1 1 343.431 0.994 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cc(C)nc(CO)n1 ZINC001104861990 740748629 /nfs/dbraw/zinc/74/86/29/740748629.db2.gz ZNSUPMUOZGGYSE-GJZGRUSLSA-N 1 1 345.447 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cc(C)nc(CO)n1 ZINC001104861990 740748633 /nfs/dbraw/zinc/74/86/33/740748633.db2.gz ZNSUPMUOZGGYSE-GJZGRUSLSA-N 1 1 345.447 0.634 20 30 ECEDMO N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001059856839 751573677 /nfs/dbraw/zinc/57/36/77/751573677.db2.gz ANBDQKWWOLMIFK-QVHKTLOISA-N 1 1 342.403 0.271 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000974021426 740787477 /nfs/dbraw/zinc/78/74/77/740787477.db2.gz HOKRRQDWPVOYTQ-ZNMIVQPWSA-N 1 1 342.399 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000974021426 740787480 /nfs/dbraw/zinc/78/74/80/740787480.db2.gz HOKRRQDWPVOYTQ-ZNMIVQPWSA-N 1 1 342.399 0.262 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3cn(C)nn3)[C@H]2C1 ZINC001083293125 740816695 /nfs/dbraw/zinc/81/66/95/740816695.db2.gz PBJJGLJNOFMFHD-JKSUJKDBSA-N 1 1 333.436 0.626 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000974040601 740819225 /nfs/dbraw/zinc/81/92/25/740819225.db2.gz IJQLJKJMOMIMGT-OKILXGFUSA-N 1 1 343.431 0.995 20 30 ECEDMO CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104926322 740954785 /nfs/dbraw/zinc/95/47/85/740954785.db2.gz OPZBPOFMFYZUPY-KGLIPLIRSA-N 1 1 346.435 0.044 20 30 ECEDMO CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104926322 740954790 /nfs/dbraw/zinc/95/47/90/740954790.db2.gz OPZBPOFMFYZUPY-KGLIPLIRSA-N 1 1 346.435 0.044 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)c1 ZINC000974152015 741014121 /nfs/dbraw/zinc/01/41/21/741014121.db2.gz XFHISBNJICXFBY-IYBDPMFKSA-N 1 1 337.383 0.645 20 30 ECEDMO CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001104950596 741018269 /nfs/dbraw/zinc/01/82/69/741018269.db2.gz WZDOEYYQMBDBRV-KBPBESRZSA-N 1 1 330.436 0.665 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC2CC2)C[C@H]1C(F)(F)F ZINC001112072035 741188605 /nfs/dbraw/zinc/18/86/05/741188605.db2.gz GPFIDVGMIRBAHY-VXGBXAGGSA-N 1 1 346.353 0.795 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000974263005 741192597 /nfs/dbraw/zinc/19/25/97/741192597.db2.gz JEJHNVABNVYDCJ-JTOWHCCKSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000974263005 741192599 /nfs/dbraw/zinc/19/25/99/741192599.db2.gz JEJHNVABNVYDCJ-JTOWHCCKSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2coc(OC)n2)C1 ZINC000974262741 741192709 /nfs/dbraw/zinc/19/27/09/741192709.db2.gz HHADABQRMLRLCO-SCRDCRAPSA-N 1 1 346.387 0.158 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2coc(OC)n2)C1 ZINC000974262741 741192712 /nfs/dbraw/zinc/19/27/12/741192712.db2.gz HHADABQRMLRLCO-SCRDCRAPSA-N 1 1 346.387 0.158 20 30 ECEDMO C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)CCc3nc[nH]n3)C2)nn1 ZINC001105207272 741473564 /nfs/dbraw/zinc/47/35/64/741473564.db2.gz LOIPIEXPOYGQRZ-UHFFFAOYSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C3=CCOCC3)C2)nn1 ZINC001105217526 741482107 /nfs/dbraw/zinc/48/21/07/741482107.db2.gz CBLPWHJEDZWJRY-UHFFFAOYSA-N 1 1 347.419 0.300 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105240433 741531742 /nfs/dbraw/zinc/53/17/42/741531742.db2.gz NERJNZNQQBKBSS-KRWDZBQOSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240433 741531745 /nfs/dbraw/zinc/53/17/45/741531745.db2.gz NERJNZNQQBKBSS-KRWDZBQOSA-N 1 1 344.463 0.647 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105240616 741534096 /nfs/dbraw/zinc/53/40/96/741534096.db2.gz UMUIEVAZACSZJN-KRWDZBQOSA-N 1 1 344.463 0.647 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC000982135713 751648621 /nfs/dbraw/zinc/64/86/21/751648621.db2.gz PWACINPUAFDABN-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnn4c3CCC4)C2)nn1 ZINC001105254355 741568654 /nfs/dbraw/zinc/56/86/54/741568654.db2.gz VZBYGYANRKDEDG-UHFFFAOYSA-N 1 1 341.419 0.784 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C(C)(C)C)nn3)C2)nn1 ZINC001105254379 741568693 /nfs/dbraw/zinc/56/86/93/741568693.db2.gz XHHQAHCSCJUECT-UHFFFAOYSA-N 1 1 344.423 0.597 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)nn1 ZINC001105289800 741650607 /nfs/dbraw/zinc/65/06/07/741650607.db2.gz JMQJWBAABSDKEU-HUUCEWRRSA-N 1 1 341.419 0.474 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCNC(=O)CC3)C2)nn1 ZINC001105289435 741652928 /nfs/dbraw/zinc/65/29/28/741652928.db2.gz DDYMCCOZFPSRNF-ZDUSSCGKSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OCC)[C@H]3CCOC3)C2)nn1 ZINC001105292257 741655468 /nfs/dbraw/zinc/65/54/68/741655468.db2.gz HHUOWKXOWUTMGC-XJKSGUPXSA-N 1 1 349.435 0.379 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1cnc(C#N)cn1 ZINC001105302341 741694833 /nfs/dbraw/zinc/69/48/33/741694833.db2.gz JIXZZBVCRMWIBT-VHDGCEQUSA-N 1 1 346.435 0.620 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1cnc(C#N)cn1 ZINC001105302341 741694836 /nfs/dbraw/zinc/69/48/36/741694836.db2.gz JIXZZBVCRMWIBT-VHDGCEQUSA-N 1 1 346.435 0.620 20 30 ECEDMO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974473658 741780757 /nfs/dbraw/zinc/78/07/57/741780757.db2.gz VCWMLIJFWPZDTI-KGLIPLIRSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974473658 741780759 /nfs/dbraw/zinc/78/07/59/741780759.db2.gz VCWMLIJFWPZDTI-KGLIPLIRSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 ZINC001105328660 741816752 /nfs/dbraw/zinc/81/67/52/741816752.db2.gz PJEBZTSXWUBYIX-UHFFFAOYSA-N 1 1 331.424 0.006 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000974581211 741919249 /nfs/dbraw/zinc/91/92/49/741919249.db2.gz NVAAVOZPWJNMGR-GVDBMIGSSA-N 1 1 329.444 0.801 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974639464 741960045 /nfs/dbraw/zinc/96/00/45/741960045.db2.gz HQVRBAVKAVSRKW-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC001026879886 742016579 /nfs/dbraw/zinc/01/65/79/742016579.db2.gz DIDKRRRLVWKHKD-HOCLYGCPSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C(C)(C)C1 ZINC000974726515 742120160 /nfs/dbraw/zinc/12/01/60/742120160.db2.gz BSOCZKRNEGTNBF-HIFRSBDPSA-N 1 1 330.432 0.918 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C(C)(C)C1 ZINC000974726515 742120163 /nfs/dbraw/zinc/12/01/63/742120163.db2.gz BSOCZKRNEGTNBF-HIFRSBDPSA-N 1 1 330.432 0.918 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974741698 742139971 /nfs/dbraw/zinc/13/99/71/742139971.db2.gz JKHKFQDRKCFDQH-QWHCGFSZSA-N 1 1 333.436 0.949 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C(C)(C)C1 ZINC000974769572 742160852 /nfs/dbraw/zinc/16/08/52/742160852.db2.gz ZOUPYZPINXXYMB-AWEZNQCLSA-N 1 1 342.399 0.876 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C(C)(C)C1 ZINC000974769572 742160854 /nfs/dbraw/zinc/16/08/54/742160854.db2.gz ZOUPYZPINXXYMB-AWEZNQCLSA-N 1 1 342.399 0.876 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000974784616 742178813 /nfs/dbraw/zinc/17/88/13/742178813.db2.gz SBGYPFQCJUTKQL-CYBMUJFWSA-N 1 1 334.420 0.742 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC000982208263 751708861 /nfs/dbraw/zinc/70/88/61/751708861.db2.gz WUCUKQYEHBEIDO-UHFFFAOYSA-N 1 1 327.388 0.502 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)CC2(C)C)c1 ZINC000975010041 742445240 /nfs/dbraw/zinc/44/52/40/742445240.db2.gz GKGGIHJFRBEYOY-HUUCEWRRSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)CC2(C)C)c1 ZINC000975010041 742445241 /nfs/dbraw/zinc/44/52/41/742445241.db2.gz GKGGIHJFRBEYOY-HUUCEWRRSA-N 1 1 328.416 0.767 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C(C)(C)C1 ZINC000975057722 742467401 /nfs/dbraw/zinc/46/74/01/742467401.db2.gz CGAHGGRBQASXIU-OAHLLOKOSA-N 1 1 344.459 0.987 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C(C)(C)C1 ZINC000975057718 742467557 /nfs/dbraw/zinc/46/75/57/742467557.db2.gz CGAHGGRBQASXIU-HNNXBMFYSA-N 1 1 344.459 0.987 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CC(=O)N(C)C3CC3)C[C@]2(C)C1 ZINC000982232729 751737844 /nfs/dbraw/zinc/73/78/44/751737844.db2.gz BFWLUIMDFMLANI-XWIAVFTESA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@]2(C)C1 ZINC000982233161 751737989 /nfs/dbraw/zinc/73/79/89/751737989.db2.gz JQYVCJMHTPLGBV-OBQMCUGOSA-N 1 1 332.448 0.984 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000975198747 742592884 /nfs/dbraw/zinc/59/28/84/742592884.db2.gz ZLQGQDGZILVLAL-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000975361950 742753479 /nfs/dbraw/zinc/75/34/79/742753479.db2.gz PMJAVKKINYSERG-MSOLQXFVSA-N 1 1 341.455 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000975361950 742753481 /nfs/dbraw/zinc/75/34/81/742753481.db2.gz PMJAVKKINYSERG-MSOLQXFVSA-N 1 1 341.455 0.852 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)cc1F ZINC001027160259 742831956 /nfs/dbraw/zinc/83/19/56/742831956.db2.gz AIFKHYILWIIGJT-CYBMUJFWSA-N 1 1 342.378 0.996 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001028935841 742917128 /nfs/dbraw/zinc/91/71/28/742917128.db2.gz MQJVAAQBGSFDOI-UONOGXRCSA-N 1 1 328.416 0.591 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001028936548 742919883 /nfs/dbraw/zinc/91/98/83/742919883.db2.gz ZZJMFGKUSVITQK-HNNXBMFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001028937010 742922019 /nfs/dbraw/zinc/92/20/19/742922019.db2.gz LMLVMTJRDMMULS-DZGCQCFKSA-N 1 1 344.415 0.409 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+]C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001027160931 742926081 /nfs/dbraw/zinc/92/60/81/742926081.db2.gz NCOYKBFKNSIIIJ-GFCCVEGCSA-N 1 1 342.378 0.996 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CC(C)(C)O)[C@@H]3C2)C1=O ZINC001075743160 742957528 /nfs/dbraw/zinc/95/75/28/742957528.db2.gz GLUQZCRHUAPKQC-SOUVJXGZSA-N 1 1 335.448 0.467 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)C1=O ZINC001111601318 742993337 /nfs/dbraw/zinc/99/33/37/742993337.db2.gz VPDZFOZNFGITTJ-XEZPLFJOSA-N 1 1 336.461 0.445 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001028976632 743041711 /nfs/dbraw/zinc/04/17/11/743041711.db2.gz MMFIXZJQZSDLET-GFCCVEGCSA-N 1 1 328.844 0.968 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001028976632 743041720 /nfs/dbraw/zinc/04/17/20/743041720.db2.gz MMFIXZJQZSDLET-GFCCVEGCSA-N 1 1 328.844 0.968 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)CC[N@H+]1C ZINC000997003029 743115057 /nfs/dbraw/zinc/11/50/57/743115057.db2.gz HZZMUAABWXHJQK-MNLARUNXSA-N 1 1 329.444 0.988 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000997062226 743186637 /nfs/dbraw/zinc/18/66/37/743186637.db2.gz AEJWABOYYWHZNY-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000997067566 743192542 /nfs/dbraw/zinc/19/25/42/743192542.db2.gz ZBSLUCZRRFOSHY-BTUGKURYSA-N 1 1 345.443 0.533 20 30 ECEDMO CC[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000262012205 743427110 /nfs/dbraw/zinc/42/71/10/743427110.db2.gz WVEBHYRCTMDRQO-TZMCWYRMSA-N 1 1 331.468 0.762 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)OC[C@H]3CCCO3)C2)nn1 ZINC001105381413 743459096 /nfs/dbraw/zinc/45/90/96/743459096.db2.gz ZOZJSCGYAAIEBZ-XJKSGUPXSA-N 1 1 349.435 0.521 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)nn1 ZINC001098694818 743477484 /nfs/dbraw/zinc/47/74/84/743477484.db2.gz KAOZJZSDWFPPFI-OAHLLOKOSA-N 1 1 343.435 0.991 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)cc1 ZINC000997336579 743503061 /nfs/dbraw/zinc/50/30/61/743503061.db2.gz FQPCVHRODHMYCU-QGZVFWFLSA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)cc1 ZINC000997336579 743503066 /nfs/dbraw/zinc/50/30/66/743503066.db2.gz FQPCVHRODHMYCU-QGZVFWFLSA-N 1 1 341.411 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2n[nH]cc2F)C1 ZINC001006790729 751831648 /nfs/dbraw/zinc/83/16/48/751831648.db2.gz BAYHYNYHYJNCGG-FZMZJTMJSA-N 1 1 347.394 0.223 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2n[nH]cc2F)C1 ZINC001006790729 751831659 /nfs/dbraw/zinc/83/16/59/751831659.db2.gz BAYHYNYHYJNCGG-FZMZJTMJSA-N 1 1 347.394 0.223 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([NH2+]CCn3cccn3)CC2)CC1 ZINC000997365020 743535830 /nfs/dbraw/zinc/53/58/30/743535830.db2.gz POANCZCOALOUNO-UHFFFAOYSA-N 1 1 343.475 0.809 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001059172322 743556231 /nfs/dbraw/zinc/55/62/31/743556231.db2.gz MBTHBIMBBNOAQE-IIAWOOMASA-N 1 1 329.404 0.073 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001059172322 743556235 /nfs/dbraw/zinc/55/62/35/743556235.db2.gz MBTHBIMBBNOAQE-IIAWOOMASA-N 1 1 329.404 0.073 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C ZINC000976181374 743649381 /nfs/dbraw/zinc/64/93/81/743649381.db2.gz SLSMXTXKDHZBSZ-XUWVNRHRSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C ZINC000976181374 743649382 /nfs/dbraw/zinc/64/93/82/743649382.db2.gz SLSMXTXKDHZBSZ-XUWVNRHRSA-N 1 1 341.411 0.872 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ccon3)C2)C1=O ZINC001027316831 743649416 /nfs/dbraw/zinc/64/94/16/743649416.db2.gz HAXKKJCLHLUCIM-ZFWWWQNUSA-N 1 1 332.404 0.998 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ccon3)C2)C1=O ZINC001027316830 743649433 /nfs/dbraw/zinc/64/94/33/743649433.db2.gz HAXKKJCLHLUCIM-UKRRQHHQSA-N 1 1 332.404 0.998 20 30 ECEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)C[N@@H+](CCn1cncn1)C2 ZINC000982278676 751850732 /nfs/dbraw/zinc/85/07/32/751850732.db2.gz NZTBEINFNXGWKN-HDICACEKSA-N 1 1 327.432 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCOC1 ZINC000976263167 743760347 /nfs/dbraw/zinc/76/03/47/743760347.db2.gz ZJLCPXCCDVGGBZ-NRKLIOEPSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCOC1 ZINC000976263167 743760349 /nfs/dbraw/zinc/76/03/49/743760349.db2.gz ZJLCPXCCDVGGBZ-NRKLIOEPSA-N 1 1 345.443 0.084 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976365735 743860626 /nfs/dbraw/zinc/86/06/26/743860626.db2.gz AVAAXDGJGNHHNQ-OSRDXIQISA-N 1 1 327.388 0.167 20 30 ECEDMO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@@H+](CC(=O)NC)CC1 ZINC000997979377 743914331 /nfs/dbraw/zinc/91/43/31/743914331.db2.gz WSRLZJCJMBCKCQ-OAHLLOKOSA-N 1 1 331.420 0.949 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)C2CS(=O)(=O)C2)CC1 ZINC000998019889 743933059 /nfs/dbraw/zinc/93/30/59/743933059.db2.gz RZYZPNGRNQTGGF-HNNXBMFYSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CS(=O)(=O)C2)CC1 ZINC000998019889 743933060 /nfs/dbraw/zinc/93/30/60/743933060.db2.gz RZYZPNGRNQTGGF-HNNXBMFYSA-N 1 1 326.462 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cn(C)cn3)C2)C1=O ZINC001027366592 744001365 /nfs/dbraw/zinc/00/13/65/744001365.db2.gz PBYBFXABWIHKSW-GDBMZVCRSA-N 1 1 345.447 0.743 20 30 ECEDMO C[N@H+]([C@@H]1CCCNC1=O)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027371668 744017122 /nfs/dbraw/zinc/01/71/22/744017122.db2.gz GVSRZKATCMPTPK-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 ZINC000976498281 744025326 /nfs/dbraw/zinc/02/53/26/744025326.db2.gz AYMQQZSYFLBYBC-OWYFMNJBSA-N 1 1 332.448 0.982 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000998179695 744033163 /nfs/dbraw/zinc/03/31/63/744033163.db2.gz ZONGSSOFGWGAED-ZOBUZTSGSA-N 1 1 346.475 0.141 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)COC)C[C@H]2O)cc1 ZINC001078243730 782545774 /nfs/dbraw/zinc/54/57/74/782545774.db2.gz VVTSTZGBMADCAN-ZTFGCOKTSA-N 1 1 348.443 0.990 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC000998186884 744037979 /nfs/dbraw/zinc/03/79/79/744037979.db2.gz HMBJEKLVVXWJGC-ZWKOTPCHSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC000998190062 744040654 /nfs/dbraw/zinc/04/06/54/744040654.db2.gz SAFQUJDAWMQQCJ-SJORKVTESA-N 1 1 335.448 0.570 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000998197371 744044993 /nfs/dbraw/zinc/04/49/93/744044993.db2.gz LJBVGVXXSVYJKG-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC000976534826 744060533 /nfs/dbraw/zinc/06/05/33/744060533.db2.gz CHWUOKLUGKELET-QMCVQRASSA-N 1 1 338.411 0.201 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000976545918 744068784 /nfs/dbraw/zinc/06/87/84/744068784.db2.gz LJRRDHYWUSHNDI-ROIMOXLHSA-N 1 1 347.459 0.492 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001058773702 744190209 /nfs/dbraw/zinc/19/02/09/744190209.db2.gz UEZHNMFOOLLZTG-UHFFFAOYSA-N 1 1 334.420 0.485 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)/C=C/C3CC3)C[C@H]21 ZINC000976738223 744264013 /nfs/dbraw/zinc/26/40/13/744264013.db2.gz CYMGLRUBXNDKDC-LYVMZKTOSA-N 1 1 327.428 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)/C=C/C3CC3)C[C@H]21 ZINC000976738223 744264018 /nfs/dbraw/zinc/26/40/18/744264018.db2.gz CYMGLRUBXNDKDC-LYVMZKTOSA-N 1 1 327.428 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]21 ZINC000976738977 744264968 /nfs/dbraw/zinc/26/49/68/744264968.db2.gz GITXKGBUFSDKPW-BJJPWKGXSA-N 1 1 337.370 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]21 ZINC000976738977 744264970 /nfs/dbraw/zinc/26/49/70/744264970.db2.gz GITXKGBUFSDKPW-BJJPWKGXSA-N 1 1 337.370 0.312 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)no1 ZINC000976777378 744299158 /nfs/dbraw/zinc/29/91/58/744299158.db2.gz BVWGVIHGYCMASN-HALDLXJZSA-N 1 1 342.399 0.336 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000998849250 744371037 /nfs/dbraw/zinc/37/10/37/744371037.db2.gz LUQOWXHNMGKHEX-ZDUSSCGKSA-N 1 1 342.407 0.677 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027446293 744484268 /nfs/dbraw/zinc/48/42/68/744484268.db2.gz FHXSEZNMEACCRC-IRXDYDNUSA-N 1 1 344.463 0.299 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCn2cccn2)C1 ZINC001027446502 744486226 /nfs/dbraw/zinc/48/62/26/744486226.db2.gz LSTFUDDWYQFHTR-ROUUACIJSA-N 1 1 343.475 0.904 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2ncnn2C)C1 ZINC001027446632 744487074 /nfs/dbraw/zinc/48/70/74/744487074.db2.gz PSJXTCAVKIAMQL-CVEARBPZSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2ncnn2C)C1 ZINC001027446632 744487077 /nfs/dbraw/zinc/48/70/77/744487077.db2.gz PSJXTCAVKIAMQL-CVEARBPZSA-N 1 1 344.463 0.336 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000999127875 744524670 /nfs/dbraw/zinc/52/46/70/744524670.db2.gz KCYXMZCULVOSCG-AWEZNQCLSA-N 1 1 329.404 0.302 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ocnc2CC)C1 ZINC000999308830 744616285 /nfs/dbraw/zinc/61/62/85/744616285.db2.gz FLSMUTOBERHQFU-AWEZNQCLSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ocnc2CC)C1 ZINC000999308830 744616288 /nfs/dbraw/zinc/61/62/88/744616288.db2.gz FLSMUTOBERHQFU-AWEZNQCLSA-N 1 1 330.388 0.275 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]31)CC2 ZINC000977076344 744640345 /nfs/dbraw/zinc/64/03/45/744640345.db2.gz SXKMFBZCOZNMAV-VPOTXYKHSA-N 1 1 341.415 0.487 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001028865542 755338642 /nfs/dbraw/zinc/33/86/42/755338642.db2.gz UORIMBRAGBDYQM-JTQLQIEISA-N 1 1 328.214 0.775 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001028865542 755338648 /nfs/dbraw/zinc/33/86/48/755338648.db2.gz UORIMBRAGBDYQM-JTQLQIEISA-N 1 1 328.214 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncoc2C2CC2)C1 ZINC000999604295 744786875 /nfs/dbraw/zinc/78/68/75/744786875.db2.gz PBNSPZFBEKOAQU-AWEZNQCLSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncoc2C2CC2)C1 ZINC000999604295 744786878 /nfs/dbraw/zinc/78/68/78/744786878.db2.gz PBNSPZFBEKOAQU-AWEZNQCLSA-N 1 1 342.399 0.590 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000977216827 744796304 /nfs/dbraw/zinc/79/63/04/744796304.db2.gz GMDHHKSFIHPLHD-PMQCXYRDSA-N 1 1 347.459 0.491 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC000977226652 744797618 /nfs/dbraw/zinc/79/76/18/744797618.db2.gz NDNQHCLGSUWYCS-XDKXFUCDSA-N 1 1 347.459 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C)on1 ZINC000977334485 744859888 /nfs/dbraw/zinc/85/98/88/744859888.db2.gz OOJOZTOQUKRMSD-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C)on1 ZINC000977334485 744859892 /nfs/dbraw/zinc/85/98/92/744859892.db2.gz OOJOZTOQUKRMSD-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000977325073 744868728 /nfs/dbraw/zinc/86/87/28/744868728.db2.gz JAGLAOPZAHYDQR-CHWSQXEVSA-N 1 1 329.466 0.423 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001027511880 744895920 /nfs/dbraw/zinc/89/59/20/744895920.db2.gz WJBZJTYXWDOZLJ-CYBMUJFWSA-N 1 1 332.404 0.685 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999875732 744984050 /nfs/dbraw/zinc/98/40/50/744984050.db2.gz CUKJUVUPHAUXST-QRTARXTBSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999876175 744984094 /nfs/dbraw/zinc/98/40/94/744984094.db2.gz GNJRJOPFJGJQBN-IMJJTQAJSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncnc3C)nn2)C1 ZINC000999954198 745093208 /nfs/dbraw/zinc/09/32/08/745093208.db2.gz FXXFHARMCHZAFH-CQSZACIVSA-N 1 1 327.392 0.739 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncnc3C)nn2)C1 ZINC000999956129 745095936 /nfs/dbraw/zinc/09/59/36/745095936.db2.gz OFAFIASHRRDIPR-AWEZNQCLSA-N 1 1 325.376 0.187 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccccc3O)nn2)C1 ZINC000999959068 745099678 /nfs/dbraw/zinc/09/96/78/745099678.db2.gz DFVBOELNUUIPPG-AWEZNQCLSA-N 1 1 325.372 0.794 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 ZINC000999967945 745113516 /nfs/dbraw/zinc/11/35/16/745113516.db2.gz QAGDZJJKAFXKDH-OAHLLOKOSA-N 1 1 327.392 0.212 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nnn(C)c3C)nn2)C1 ZINC000999970445 745117627 /nfs/dbraw/zinc/11/76/27/745117627.db2.gz HBHOBNQZSMEOHC-CQSZACIVSA-N 1 1 344.423 0.468 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC000999973873 745122746 /nfs/dbraw/zinc/12/27/46/745122746.db2.gz IFTHJEOGIFCCJV-MRXNPFEDSA-N 1 1 337.387 0.678 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3oc(C)nc3C)nn2)C1 ZINC000999975796 745124888 /nfs/dbraw/zinc/12/48/88/745124888.db2.gz QYGPZUBMMVDUBJ-AWEZNQCLSA-N 1 1 328.376 0.693 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnn3CC)nn2)C1 ZINC000999981345 745132739 /nfs/dbraw/zinc/13/27/39/745132739.db2.gz SGGCFMAKAXIIAP-AWEZNQCLSA-N 1 1 329.408 0.857 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nccn3CC)nn2)C1 ZINC000999983726 745135887 /nfs/dbraw/zinc/13/58/87/745135887.db2.gz JVMRBRTYRZVFTI-AWEZNQCLSA-N 1 1 329.408 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)nn2)C1 ZINC000999985403 745138229 /nfs/dbraw/zinc/13/82/29/745138229.db2.gz BRSSVODOUPMBAF-IKGGRYGDSA-N 1 1 345.447 0.835 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(=O)n(C)o3)nn2)C1 ZINC000999985981 745139481 /nfs/dbraw/zinc/13/94/81/745139481.db2.gz RYKXQHCFXRMBDD-CYBMUJFWSA-N 1 1 346.391 0.323 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCOCC3)nn2)C1 ZINC000999987167 745141642 /nfs/dbraw/zinc/14/16/42/745141642.db2.gz VYRWWXRQRIHLNE-WBVHZDCISA-N 1 1 345.447 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)nc1 ZINC000977523467 745142145 /nfs/dbraw/zinc/14/21/45/745142145.db2.gz JAQBQPRMYPALSN-CVEARBPZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)nc1 ZINC000977523467 745142146 /nfs/dbraw/zinc/14/21/46/745142146.db2.gz JAQBQPRMYPALSN-CVEARBPZSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)nn2)C1 ZINC000999987492 745142594 /nfs/dbraw/zinc/14/25/94/745142594.db2.gz OOHARJLOVQWSFJ-BPLDGKMQSA-N 1 1 346.435 0.242 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)nc1 ZINC000977527471 745147612 /nfs/dbraw/zinc/14/76/12/745147612.db2.gz REQNKIFAGWSQPF-XJKSGUPXSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)nc1 ZINC000977527471 745147617 /nfs/dbraw/zinc/14/76/17/745147617.db2.gz REQNKIFAGWSQPF-XJKSGUPXSA-N 1 1 342.443 0.980 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 ZINC000999991319 745148450 /nfs/dbraw/zinc/14/84/50/745148450.db2.gz MSDHNSGXHOXLBR-ZDUSSCGKSA-N 1 1 330.396 0.160 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC(=O)N3)nn2)C1 ZINC000999998964 745160036 /nfs/dbraw/zinc/16/00/36/745160036.db2.gz VYAGKOKKXVJJIP-HUUCEWRRSA-N 1 1 346.435 0.386 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncc4ccccn43)nn2)C1 ZINC001000002034 745164871 /nfs/dbraw/zinc/16/48/71/745164871.db2.gz GQRJZVACLCKDDU-MRXNPFEDSA-N 1 1 349.398 0.736 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncc(OC)cn3)nn2)C1 ZINC001000002839 745166610 /nfs/dbraw/zinc/16/66/10/745166610.db2.gz MYGVMNLLCVYGAX-CYBMUJFWSA-N 1 1 343.391 0.440 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC(=O)NC3)nn2)C1 ZINC001000003501 745168247 /nfs/dbraw/zinc/16/82/47/745168247.db2.gz QDUKBPUVNMUUIW-HIFRSBDPSA-N 1 1 346.435 0.243 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1 ZINC001006921697 751979040 /nfs/dbraw/zinc/97/90/40/751979040.db2.gz XBIRISNQHNZNGQ-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]nc3C)nn2)C1 ZINC001000015161 745184396 /nfs/dbraw/zinc/18/43/96/745184396.db2.gz NBNRPXXFYRGUIW-AWEZNQCLSA-N 1 1 327.392 0.510 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)cnn3C)nn2)C1 ZINC001000015752 745185088 /nfs/dbraw/zinc/18/50/88/745185088.db2.gz PNLBCSZSZPWWMU-CQSZACIVSA-N 1 1 329.408 0.683 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001000017254 745187275 /nfs/dbraw/zinc/18/72/75/745187275.db2.gz MGUGODLYRLSMAI-OAGGEKHMSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 ZINC001000022552 745193725 /nfs/dbraw/zinc/19/37/25/745193725.db2.gz WMWLZGTUSSVPGJ-GFCCVEGCSA-N 1 1 331.355 0.340 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001075770574 745195232 /nfs/dbraw/zinc/19/52/32/745195232.db2.gz AMOSHAYXCIRXOJ-LSDHHAIUSA-N 1 1 329.400 0.082 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3nnc[nH]3)nn2)C1 ZINC001000028305 745201648 /nfs/dbraw/zinc/20/16/48/745201648.db2.gz HFZCUWOVMXZWAO-ZDUSSCGKSA-N 1 1 330.396 0.539 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001000028305 745201650 /nfs/dbraw/zinc/20/16/50/745201650.db2.gz HFZCUWOVMXZWAO-ZDUSSCGKSA-N 1 1 330.396 0.539 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001000028305 745201655 /nfs/dbraw/zinc/20/16/55/745201655.db2.gz HFZCUWOVMXZWAO-ZDUSSCGKSA-N 1 1 330.396 0.539 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001000028305 745201660 /nfs/dbraw/zinc/20/16/60/745201660.db2.gz HFZCUWOVMXZWAO-ZDUSSCGKSA-N 1 1 330.396 0.539 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001000028305 745201665 /nfs/dbraw/zinc/20/16/65/745201665.db2.gz HFZCUWOVMXZWAO-ZDUSSCGKSA-N 1 1 330.396 0.539 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001000028882 745202698 /nfs/dbraw/zinc/20/26/98/745202698.db2.gz MDSJYFLPZJYZPX-CQSZACIVSA-N 1 1 327.392 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]nc3C3CC3)nn2)C1 ZINC001000032966 745206885 /nfs/dbraw/zinc/20/68/85/745206885.db2.gz AZJGRDMZERBNTR-AWEZNQCLSA-N 1 1 339.403 0.689 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(CC)nn3C)nn2)C1 ZINC001000033809 745208478 /nfs/dbraw/zinc/20/84/78/745208478.db2.gz GSROVGUVUQSMRV-OAHLLOKOSA-N 1 1 343.435 0.937 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)nn1 ZINC001098696952 745212406 /nfs/dbraw/zinc/21/24/06/745212406.db2.gz AHJWJFVYRBLFLJ-HUUCEWRRSA-N 1 1 346.435 0.338 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]cnc3CC)nn2)C1 ZINC001000041306 745220097 /nfs/dbraw/zinc/22/00/97/745220097.db2.gz ADVYWCDSAHPFDI-ZDUSSCGKSA-N 1 1 329.408 0.926 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nonc3C)nn2)C1 ZINC001000042271 745222568 /nfs/dbraw/zinc/22/25/68/745222568.db2.gz LPENWLBTKLAOIP-CYBMUJFWSA-N 1 1 331.380 0.722 20 30 ECEDMO CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149137097 751983330 /nfs/dbraw/zinc/98/33/30/751983330.db2.gz MWYCMDQPLZRNNV-AWEZNQCLSA-N 1 1 328.457 0.832 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000977581276 745238655 /nfs/dbraw/zinc/23/86/55/745238655.db2.gz CKMPOMFMALWMCV-GFCCVEGCSA-N 1 1 334.420 0.167 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059234915 745301339 /nfs/dbraw/zinc/30/13/39/745301339.db2.gz ALVNZPMNCBHEGH-YRGRVCCFSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059234915 745301346 /nfs/dbraw/zinc/30/13/46/745301346.db2.gz ALVNZPMNCBHEGH-YRGRVCCFSA-N 1 1 330.392 0.128 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)nn1 ZINC001020700388 751990532 /nfs/dbraw/zinc/99/05/32/751990532.db2.gz PCLKEAARSOGZOW-HAQNSBGRSA-N 1 1 343.391 0.775 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027552557 745406750 /nfs/dbraw/zinc/40/67/50/745406750.db2.gz XRLSABRNASYZDS-CVEARBPZSA-N 1 1 341.415 0.662 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027552557 745406753 /nfs/dbraw/zinc/40/67/53/745406753.db2.gz XRLSABRNASYZDS-CVEARBPZSA-N 1 1 341.415 0.662 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(C2CCC2)C1=O ZINC001029244341 745427141 /nfs/dbraw/zinc/42/71/41/745427141.db2.gz DADLJBGJDKWAOI-HNKHHVNMSA-N 1 1 330.432 0.975 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC000977730975 745448261 /nfs/dbraw/zinc/44/82/61/745448261.db2.gz JIZTYRBYUBNLQQ-HIFRSBDPSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3cn(C)nn3)C2)nn1 ZINC001000431079 745493737 /nfs/dbraw/zinc/49/37/37/745493737.db2.gz XHZMRWUPBMRGPI-CYBMUJFWSA-N 1 1 344.423 0.377 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC000977782523 745502564 /nfs/dbraw/zinc/50/25/64/745502564.db2.gz ZEDPUXHLHJYOBX-ZIAGYGMSSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCN1CC[C@@H](N2CC=C(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001000520481 745563023 /nfs/dbraw/zinc/56/30/23/745563023.db2.gz FKZGEMBYEODQHV-DLBZAZTESA-N 1 1 346.475 0.616 20 30 ECEDMO C=CCN1CC[C@@H](N2CC=C(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001000520481 745563024 /nfs/dbraw/zinc/56/30/24/745563024.db2.gz FKZGEMBYEODQHV-DLBZAZTESA-N 1 1 346.475 0.616 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3cnc(C)[nH]3)CC2)C1=O ZINC001000531113 745569565 /nfs/dbraw/zinc/56/95/65/745569565.db2.gz YZXMOKUEWLEVLA-INIZCTEOSA-N 1 1 343.431 0.867 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4COCCO4)[C@@H]3C2)cc1 ZINC000977836026 745571868 /nfs/dbraw/zinc/57/18/68/745571868.db2.gz IMRMTKAHNZTHLP-FJIDUMEYSA-N 1 1 341.411 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnsn4)[C@@H]3C2)C1=O ZINC000977887649 745613165 /nfs/dbraw/zinc/61/31/65/745613165.db2.gz YYAISIQFFYMZAO-NRWUCQMLSA-N 1 1 347.444 0.233 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC2CC2)nc1 ZINC001028269799 752021083 /nfs/dbraw/zinc/02/10/83/752021083.db2.gz WDKWYIWSEPRCMW-OAHLLOKOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC2CC2)nc1 ZINC001028269799 752021086 /nfs/dbraw/zinc/02/10/86/752021086.db2.gz WDKWYIWSEPRCMW-OAHLLOKOSA-N 1 1 326.400 0.536 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccnc(C#N)n1 ZINC001126517335 745629357 /nfs/dbraw/zinc/62/93/57/745629357.db2.gz CPYDISMOCQPRJU-CQSZACIVSA-N 1 1 346.435 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccns1 ZINC000977918267 745645376 /nfs/dbraw/zinc/64/53/76/745645376.db2.gz LIQFFWFFQKUNKL-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccns1 ZINC000977918267 745645379 /nfs/dbraw/zinc/64/53/79/745645379.db2.gz LIQFFWFFQKUNKL-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1(CF)CC1 ZINC000977919382 745646926 /nfs/dbraw/zinc/64/69/26/745646926.db2.gz NAAQCOLGYGRKGM-GJZGRUSLSA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1(CF)CC1 ZINC000977919382 745646929 /nfs/dbraw/zinc/64/69/29/745646929.db2.gz NAAQCOLGYGRKGM-GJZGRUSLSA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cncs1 ZINC000977929290 745684823 /nfs/dbraw/zinc/68/48/23/745684823.db2.gz PVNPHZWQTFHCQZ-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cncs1 ZINC000977929290 745684827 /nfs/dbraw/zinc/68/48/27/745684827.db2.gz PVNPHZWQTFHCQZ-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC000977951816 745706742 /nfs/dbraw/zinc/70/67/42/745706742.db2.gz MDKNHIPTVXFJBO-NEPJUHHUSA-N 1 1 333.392 0.569 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001000747602 745740055 /nfs/dbraw/zinc/74/00/55/745740055.db2.gz MHUSDDGTSXFNPV-MRXNPFEDSA-N 1 1 335.448 0.806 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)s1 ZINC001028271119 752029841 /nfs/dbraw/zinc/02/98/41/752029841.db2.gz ZBUPABJJZQKXTD-FZMZJTMJSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)s1 ZINC001028271119 752029844 /nfs/dbraw/zinc/02/98/44/752029844.db2.gz ZBUPABJJZQKXTD-FZMZJTMJSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)[nH]1 ZINC000978018095 745803223 /nfs/dbraw/zinc/80/32/23/745803223.db2.gz GAXFWJGGLPTYCU-QKDCVEJESA-N 1 1 341.415 0.416 20 30 ECEDMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978029690 745830442 /nfs/dbraw/zinc/83/04/42/745830442.db2.gz QIQLJZAGMNGEAS-QKDCVEJESA-N 1 1 325.376 0.123 20 30 ECEDMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978029690 745830450 /nfs/dbraw/zinc/83/04/50/745830450.db2.gz QIQLJZAGMNGEAS-QKDCVEJESA-N 1 1 325.376 0.123 20 30 ECEDMO C=CCOCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001105393889 745838960 /nfs/dbraw/zinc/83/89/60/745838960.db2.gz KFXWWSGKWCQLDD-HNNXBMFYSA-N 1 1 335.448 0.767 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001000927169 745906482 /nfs/dbraw/zinc/90/64/82/745906482.db2.gz MNDDEERYJITDRM-UHFFFAOYSA-N 1 1 344.415 0.275 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)nc1 ZINC000978098837 745915849 /nfs/dbraw/zinc/91/58/49/745915849.db2.gz QNFZIBPSCBYAFL-JKSUJKDBSA-N 1 1 340.427 0.688 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[C@H]1COC(=O)N1 ZINC000978106765 745939578 /nfs/dbraw/zinc/93/95/78/745939578.db2.gz HOXJWUFXGLSIOO-WCXIOVBPSA-N 1 1 339.395 0.441 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cnnn1C ZINC001087548561 745961759 /nfs/dbraw/zinc/96/17/59/745961759.db2.gz BIUIQTBVWGGMRX-LSDHHAIUSA-N 1 1 327.392 0.798 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cnnn1C ZINC001087548561 745961762 /nfs/dbraw/zinc/96/17/62/745961762.db2.gz BIUIQTBVWGGMRX-LSDHHAIUSA-N 1 1 327.392 0.798 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001001002158 745966876 /nfs/dbraw/zinc/96/68/76/745966876.db2.gz FKMBIOFBOCSWMA-INIZCTEOSA-N 1 1 343.431 0.258 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001001002158 745966877 /nfs/dbraw/zinc/96/68/77/745966877.db2.gz FKMBIOFBOCSWMA-INIZCTEOSA-N 1 1 343.431 0.258 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@@H]4CCOC4)nc3C)[C@@H]2C1 ZINC000978172288 746007096 /nfs/dbraw/zinc/00/70/96/746007096.db2.gz ZYZWGWPLFYMSQS-SRABZTEZSA-N 1 1 328.416 0.694 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)[C@@H]2C1 ZINC000978187615 746010576 /nfs/dbraw/zinc/01/05/76/746010576.db2.gz KIPGKQCBELNYRS-XLAORIBOSA-N 1 1 343.471 0.952 20 30 ECEDMO Cn1nnc(C(=O)NCC2=CC[N@H+](Cc3ccccc3C#N)CC2)n1 ZINC001001057596 746024439 /nfs/dbraw/zinc/02/44/39/746024439.db2.gz LMXDRWOSOKPOFL-UHFFFAOYSA-N 1 1 337.387 0.644 20 30 ECEDMO Cn1nnc(C(=O)NCC2=CC[N@@H+](Cc3ccccc3C#N)CC2)n1 ZINC001001057596 746024445 /nfs/dbraw/zinc/02/44/45/746024445.db2.gz LMXDRWOSOKPOFL-UHFFFAOYSA-N 1 1 337.387 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ncccn1 ZINC000978272534 746122624 /nfs/dbraw/zinc/12/26/24/746122624.db2.gz RPPZCEHDBSZNRI-GJZGRUSLSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ncccn1 ZINC000978272534 746122628 /nfs/dbraw/zinc/12/26/28/746122628.db2.gz RPPZCEHDBSZNRI-GJZGRUSLSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2-n2cnnn2)[C@H]1CC ZINC001087638104 746137824 /nfs/dbraw/zinc/13/78/24/746137824.db2.gz AHRXGKRQQWDBHY-NWDGAFQWSA-N 1 1 330.417 0.940 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cncn3C)[C@H]2CC)C1=O ZINC001087643877 746141837 /nfs/dbraw/zinc/14/18/37/746141837.db2.gz QWSWHTQIVYZIKP-ZNMIVQPWSA-N 1 1 345.447 0.790 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001007062942 752066563 /nfs/dbraw/zinc/06/65/63/752066563.db2.gz JLVSUKZDCJUGOU-HOCLYGCPSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001007062942 752066570 /nfs/dbraw/zinc/06/65/70/752066570.db2.gz JLVSUKZDCJUGOU-HOCLYGCPSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001007062942 752066579 /nfs/dbraw/zinc/06/65/79/752066579.db2.gz JLVSUKZDCJUGOU-HOCLYGCPSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001007062942 752066587 /nfs/dbraw/zinc/06/65/87/752066587.db2.gz JLVSUKZDCJUGOU-HOCLYGCPSA-N 1 1 345.447 0.628 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC000978345849 746228180 /nfs/dbraw/zinc/22/81/80/746228180.db2.gz CAQLYONAIZHBEO-QKDCVEJESA-N 1 1 338.473 0.681 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H]1CC ZINC001087719608 746235707 /nfs/dbraw/zinc/23/57/07/746235707.db2.gz CMDXSHVEGSOUDJ-NWDGAFQWSA-N 1 1 341.437 0.216 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001027614728 746247698 /nfs/dbraw/zinc/24/76/98/746247698.db2.gz DTRKRHBWYVHSDP-CYBMUJFWSA-N 1 1 327.388 0.501 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001001315133 746272228 /nfs/dbraw/zinc/27/22/28/746272228.db2.gz OZEPFDLGJYRAGP-INIZCTEOSA-N 1 1 343.431 0.700 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001001317186 746273413 /nfs/dbraw/zinc/27/34/13/746273413.db2.gz GHICHUDMQZBUHC-HNNXBMFYSA-N 1 1 342.399 0.073 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001001317186 746273414 /nfs/dbraw/zinc/27/34/14/746273414.db2.gz GHICHUDMQZBUHC-HNNXBMFYSA-N 1 1 342.399 0.073 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1CC ZINC001087748085 746278100 /nfs/dbraw/zinc/27/81/00/746278100.db2.gz NMJWPTWISVWIAP-QWHCGFSZSA-N 1 1 330.392 0.046 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccnn3)[C@H]2CC)C1=O ZINC001087770652 746308904 /nfs/dbraw/zinc/30/89/04/746308904.db2.gz QMGBZGMEMQBXNZ-NUEKZKHPSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cccnn3)[C@H]2CC)C1=O ZINC001087770652 746308909 /nfs/dbraw/zinc/30/89/09/746308909.db2.gz QMGBZGMEMQBXNZ-NUEKZKHPSA-N 1 1 343.431 0.846 20 30 ECEDMO C=C(Br)C[NH+]1CCC(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001001364563 746310468 /nfs/dbraw/zinc/31/04/68/746310468.db2.gz APIJSCIEZBAVTR-LLVKDONJSA-N 1 1 346.225 0.832 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(CNC(C)=O)cc3)[C@@H]2C1 ZINC000978461005 746328216 /nfs/dbraw/zinc/32/82/16/746328216.db2.gz CFLGRBRLLCRMMZ-NNZMDNLPSA-N 1 1 325.412 0.864 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1CC ZINC001087787010 746333514 /nfs/dbraw/zinc/33/35/14/746333514.db2.gz CWJHFVIZFWSUTH-LSDHHAIUSA-N 1 1 345.447 0.374 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1CC ZINC001087784511 746337262 /nfs/dbraw/zinc/33/72/62/746337262.db2.gz IVXMVCLQNLEMLJ-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(C#N)nn1 ZINC001126549665 746362823 /nfs/dbraw/zinc/36/28/23/746362823.db2.gz ULSRPQWBVAVTFW-OAHLLOKOSA-N 1 1 346.435 0.402 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3CCC(O)CC3)[C@@H](O)C2)c1 ZINC001083435464 752085680 /nfs/dbraw/zinc/08/56/80/752085680.db2.gz VEYDRKXKYVDISZ-HIEASXQVSA-N 1 1 343.427 0.771 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C3CCC(O)CC3)[C@@H](O)C2)c1 ZINC001083435464 752085688 /nfs/dbraw/zinc/08/56/88/752085688.db2.gz VEYDRKXKYVDISZ-HIEASXQVSA-N 1 1 343.427 0.771 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3CCCC)[C@@H]2C1 ZINC000978526814 746406171 /nfs/dbraw/zinc/40/61/71/746406171.db2.gz PLPZNASWLDBRJI-FJIDUMEYSA-N 1 1 333.476 0.805 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001506721 746445082 /nfs/dbraw/zinc/44/50/82/746445082.db2.gz AAWJHUQBUFYBDW-UHFFFAOYSA-N 1 1 326.360 0.280 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)c[nH]1 ZINC001083418217 746451817 /nfs/dbraw/zinc/45/18/17/746451817.db2.gz XSAYNDDPQQVDGN-ZACQAIPSSA-N 1 1 340.383 0.395 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)c[nH]1 ZINC001083418217 746451821 /nfs/dbraw/zinc/45/18/21/746451821.db2.gz XSAYNDDPQQVDGN-ZACQAIPSSA-N 1 1 340.383 0.395 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@H]2CCCN(C(=O)C3(C)CC3)C2)C1=O ZINC001087854428 746506963 /nfs/dbraw/zinc/50/69/63/746506963.db2.gz HFVBQOUYIJEQJH-JKSUJKDBSA-N 1 1 349.475 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnns2)C1 ZINC000978616118 746509211 /nfs/dbraw/zinc/50/92/11/746509211.db2.gz DNBIQOUAPSFVSP-XQQFMLRXSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnns2)C1 ZINC000978616118 746509214 /nfs/dbraw/zinc/50/92/14/746509214.db2.gz DNBIQOUAPSFVSP-XQQFMLRXSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1ccc(C)nn1 ZINC001126555881 746522228 /nfs/dbraw/zinc/52/22/28/746522228.db2.gz VMDDGFNZFILGAP-INIZCTEOSA-N 1 1 345.447 0.452 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1ccc(C)nn1 ZINC001126555881 746522229 /nfs/dbraw/zinc/52/22/29/746522229.db2.gz VMDDGFNZFILGAP-INIZCTEOSA-N 1 1 345.447 0.452 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCOC2)C1 ZINC000978635801 746527064 /nfs/dbraw/zinc/52/70/64/746527064.db2.gz CWKCJZWCGBDFBJ-NCOADZHNSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCOC2)C1 ZINC000978635801 746527065 /nfs/dbraw/zinc/52/70/65/746527065.db2.gz CWKCJZWCGBDFBJ-NCOADZHNSA-N 1 1 347.459 0.522 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)c(F)c1 ZINC001041986668 782552715 /nfs/dbraw/zinc/55/27/15/782552715.db2.gz SIHKDYCIHAFOJC-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nccn2CC)C1 ZINC001001636487 746559157 /nfs/dbraw/zinc/55/91/57/746559157.db2.gz NVOMXTKEXYKKRX-HNNXBMFYSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nccn2CC)C1 ZINC001001636487 746559161 /nfs/dbraw/zinc/55/91/61/746559161.db2.gz NVOMXTKEXYKKRX-HNNXBMFYSA-N 1 1 343.431 0.189 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001007117575 752103572 /nfs/dbraw/zinc/10/35/72/752103572.db2.gz ROHWNUHVCLJTFO-SJORKVTESA-N 1 1 342.443 0.992 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001007117575 752103574 /nfs/dbraw/zinc/10/35/74/752103574.db2.gz ROHWNUHVCLJTFO-SJORKVTESA-N 1 1 342.443 0.992 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001027654275 746574292 /nfs/dbraw/zinc/57/42/92/746574292.db2.gz TVIUNBDYFIEVRI-CYBMUJFWSA-N 1 1 330.388 0.115 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001027654275 746574297 /nfs/dbraw/zinc/57/42/97/746574297.db2.gz TVIUNBDYFIEVRI-CYBMUJFWSA-N 1 1 330.388 0.115 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1 ZINC000978710653 746611917 /nfs/dbraw/zinc/61/19/17/746611917.db2.gz YYRIOLHMPDVWBJ-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059397776 746635888 /nfs/dbraw/zinc/63/58/88/746635888.db2.gz YNRWJXGDLMKGFS-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059397776 746635896 /nfs/dbraw/zinc/63/58/96/746635896.db2.gz YNRWJXGDLMKGFS-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)ccc1F ZINC001087914713 746656306 /nfs/dbraw/zinc/65/63/06/746656306.db2.gz AFMDEFMIKBSHPZ-HIFRSBDPSA-N 1 1 344.390 0.853 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001027670677 746713617 /nfs/dbraw/zinc/71/36/17/746713617.db2.gz LGZWJLAQLQEUTH-AWEZNQCLSA-N 1 1 326.404 0.911 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001027673055 746733363 /nfs/dbraw/zinc/73/33/63/746733363.db2.gz CCZAAQRVDXQFIB-LBPRGKRZSA-N 1 1 342.827 0.556 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001027673055 746733369 /nfs/dbraw/zinc/73/33/69/746733369.db2.gz CCZAAQRVDXQFIB-LBPRGKRZSA-N 1 1 342.827 0.556 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cc(C)no4)C[C@H]32)nn1 ZINC000978816016 746742220 /nfs/dbraw/zinc/74/22/20/746742220.db2.gz KRYOMZMRFCOSJP-QKDCVEJESA-N 1 1 342.403 0.868 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001001932437 746815551 /nfs/dbraw/zinc/81/55/51/746815551.db2.gz BNONQVUCKBRCDZ-CYBMUJFWSA-N 1 1 349.884 0.601 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001001995925 746869775 /nfs/dbraw/zinc/86/97/75/746869775.db2.gz AYZOTFGZNPJTLF-IKGGRYGDSA-N 1 1 349.475 0.884 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@@H]2C1 ZINC001087985515 746878727 /nfs/dbraw/zinc/87/87/27/746878727.db2.gz SQCNCXSTOILTJH-ZACQAIPSSA-N 1 1 349.475 0.838 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccnc4nc(C)nn43)[C@@H]2C1 ZINC000978942268 746923650 /nfs/dbraw/zinc/92/36/50/746923650.db2.gz RQMUCRJIBPVZPG-ZSOGYDGISA-N 1 1 326.404 0.916 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]nc3-c3cnn(C)c3)[C@@H]2C1 ZINC000978948966 746939213 /nfs/dbraw/zinc/93/92/13/746939213.db2.gz ZGOPXGNYFSKQCT-MKZZRHPPSA-N 1 1 338.415 0.741 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007156636 752138235 /nfs/dbraw/zinc/13/82/35/752138235.db2.gz OLLIGNMUCMCKSX-HOCLYGCPSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007156636 752138237 /nfs/dbraw/zinc/13/82/37/752138237.db2.gz OLLIGNMUCMCKSX-HOCLYGCPSA-N 1 1 341.415 0.867 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C(=O)N(C)C)c3)[C@@H]2C1 ZINC000978969481 746971867 /nfs/dbraw/zinc/97/18/67/746971867.db2.gz FLVVOGMHKMWODR-OSYLJGHBSA-N 1 1 325.412 0.929 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978999484 747022714 /nfs/dbraw/zinc/02/27/14/747022714.db2.gz ZONZNTZEEDSYRH-IVMMDQJWSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001002159156 747039809 /nfs/dbraw/zinc/03/98/09/747039809.db2.gz LNYXRYSNTHTZTP-OAHLLOKOSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc4nc(C)cc(C)n4n3)[C@@H]2C1 ZINC000979042609 747072209 /nfs/dbraw/zinc/07/22/09/747072209.db2.gz TXCGKCMEQMNETJ-ZSOGYDGISA-N 1 1 326.404 0.835 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C[C@@H]2C1 ZINC001088018496 747073827 /nfs/dbraw/zinc/07/38/27/747073827.db2.gz ALZZXAFSZHSKGD-KFWWJZLASA-N 1 1 343.431 0.350 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@@H]2C1 ZINC001088054467 747163528 /nfs/dbraw/zinc/16/35/28/747163528.db2.gz GRYGFUSVOUSDQV-VSZNYVQBSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC000979095241 747167523 /nfs/dbraw/zinc/16/75/23/747167523.db2.gz ZPKBBPBUYBBEAS-LZWOXQAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC000979095241 747167526 /nfs/dbraw/zinc/16/75/26/747167526.db2.gz ZPKBBPBUYBBEAS-LZWOXQAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cncn4)nc3)C[C@@H]2C1 ZINC001088059982 747171930 /nfs/dbraw/zinc/17/19/30/747171930.db2.gz FVDDDERYBBQDMU-CVEARBPZSA-N 1 1 336.399 0.689 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@@H]2C1 ZINC001088066493 747189736 /nfs/dbraw/zinc/18/97/36/747189736.db2.gz MKDXDGWBGXXXIB-AGIUHOORSA-N 1 1 326.828 0.543 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@@H]2C1 ZINC001088066493 747189738 /nfs/dbraw/zinc/18/97/38/747189738.db2.gz MKDXDGWBGXXXIB-AGIUHOORSA-N 1 1 326.828 0.543 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1CC ZINC000985047544 747300089 /nfs/dbraw/zinc/30/00/89/747300089.db2.gz LVZKLYBZVOCDNM-ZNMIVQPWSA-N 1 1 343.431 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1CC ZINC000985047544 747300100 /nfs/dbraw/zinc/30/01/00/747300100.db2.gz LVZKLYBZVOCDNM-ZNMIVQPWSA-N 1 1 343.431 0.617 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)C2=COCCO2)C1=O ZINC001027739416 747311304 /nfs/dbraw/zinc/31/13/04/747311304.db2.gz PITUTMYSZVNLNJ-ZIAGYGMSSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)C2=COCCO2)C1=O ZINC001027739416 747311310 /nfs/dbraw/zinc/31/13/10/747311310.db2.gz PITUTMYSZVNLNJ-ZIAGYGMSSA-N 1 1 335.404 0.242 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)cc1C#N ZINC001088087195 747329032 /nfs/dbraw/zinc/32/90/32/747329032.db2.gz MQFDSHGIRMIVSI-HIFRSBDPSA-N 1 1 342.399 0.332 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)cc1F ZINC001088088489 747334517 /nfs/dbraw/zinc/33/45/17/747334517.db2.gz XHNVHQQLYSNECK-KGLIPLIRSA-N 1 1 330.363 0.463 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001002448607 747357926 /nfs/dbraw/zinc/35/79/26/747357926.db2.gz BWCOQKPROGJHAG-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1 ZINC001002495625 747433085 /nfs/dbraw/zinc/43/30/85/747433085.db2.gz GGOIQZJBXHAJPN-KRWDZBQOSA-N 1 1 331.460 0.952 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)CC[C@@H]2C1 ZINC001088134547 747464927 /nfs/dbraw/zinc/46/49/27/747464927.db2.gz STCFQKUNMXEQTK-CVYDXHPNSA-N 1 1 349.475 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC001002599307 747552195 /nfs/dbraw/zinc/55/21/95/747552195.db2.gz FDKPKOLXSAKACW-YESZJQIVSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC001002599307 747552199 /nfs/dbraw/zinc/55/21/99/747552199.db2.gz FDKPKOLXSAKACW-YESZJQIVSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@@H]2C1 ZINC001088165056 747563747 /nfs/dbraw/zinc/56/37/47/747563747.db2.gz LSDZKMNMDYAXQY-CABCVRRESA-N 1 1 339.399 0.947 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001002615006 747575227 /nfs/dbraw/zinc/57/52/27/747575227.db2.gz BVHOEZAWKSHXSN-HNNXBMFYSA-N 1 1 330.432 0.814 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)COc3cccnc3)C2)nn1 ZINC001105342599 747588853 /nfs/dbraw/zinc/58/88/53/747588853.db2.gz MPSOWNQUSGQNLK-UHFFFAOYSA-N 1 1 328.376 0.411 20 30 ECEDMO CC(C)n1cc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 ZINC000979328411 747620172 /nfs/dbraw/zinc/62/01/72/747620172.db2.gz HGEISZBHYOSFHV-WMLDXEAASA-N 1 1 345.447 0.978 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979340855 747643233 /nfs/dbraw/zinc/64/32/33/747643233.db2.gz WWJVHIQGVUTIAV-XJKSGUPXSA-N 1 1 331.420 0.417 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CCOC3)CC2)C1=O ZINC000985315741 747684830 /nfs/dbraw/zinc/68/48/30/747684830.db2.gz CYWVFSUMUXVICI-ZBFHGGJFSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H]([C@H](C)[NH2+]Cc3nnnn3C)C2)C1 ZINC000979373351 747699897 /nfs/dbraw/zinc/69/98/97/747699897.db2.gz DRNOXMRZEPJUCY-STQMWFEESA-N 1 1 334.424 0.272 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 ZINC001088194663 747707904 /nfs/dbraw/zinc/70/79/04/747707904.db2.gz PZDJQKIHSNNGSX-ILXRZTDVSA-N 1 1 348.447 0.721 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cocn3)CC2)C1=O ZINC000985333222 747736551 /nfs/dbraw/zinc/73/65/51/747736551.db2.gz CZBMBQWVAZJQIU-HNNXBMFYSA-N 1 1 332.404 0.998 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C[C@@H]2C1 ZINC001088210198 747744418 /nfs/dbraw/zinc/74/44/18/747744418.db2.gz AYSQKLNBOGTWIO-OAGGEKHMSA-N 1 1 327.432 0.562 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985346382 747761319 /nfs/dbraw/zinc/76/13/19/747761319.db2.gz AJQRCDNXJWGZDJ-UHFFFAOYSA-N 1 1 332.379 0.996 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cncnc3)C2)C1=O ZINC001007229763 752209194 /nfs/dbraw/zinc/20/91/94/752209194.db2.gz ZQMGVHMOBMBKLD-CVEARBPZSA-N 1 1 343.431 0.387 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cncnc3)C2)C1=O ZINC001007229763 752209196 /nfs/dbraw/zinc/20/91/96/752209196.db2.gz ZQMGVHMOBMBKLD-CVEARBPZSA-N 1 1 343.431 0.387 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3ccnn3C)CC2)C1 ZINC001088230327 747782107 /nfs/dbraw/zinc/78/21/07/747782107.db2.gz NCPIZJZTCVOVCS-MRXNPFEDSA-N 1 1 330.432 0.996 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001088233724 747796838 /nfs/dbraw/zinc/79/68/38/747796838.db2.gz YFUVSACXQAOIFV-OAHLLOKOSA-N 1 1 333.436 0.944 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC001088235380 747815395 /nfs/dbraw/zinc/81/53/95/747815395.db2.gz QIGMSICOZDQLMK-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2ccco2)C1 ZINC001002825833 747837775 /nfs/dbraw/zinc/83/77/75/747837775.db2.gz IKKNSDGRQHDTAM-INIZCTEOSA-N 1 1 329.400 0.494 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2ccco2)C1 ZINC001002825833 747837784 /nfs/dbraw/zinc/83/77/84/747837784.db2.gz IKKNSDGRQHDTAM-INIZCTEOSA-N 1 1 329.400 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c(C)n[nH]c2C)C1 ZINC001002825844 747838055 /nfs/dbraw/zinc/83/80/55/747838055.db2.gz IQFVWAUOUNUAHH-HNNXBMFYSA-N 1 1 343.431 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c(C)n[nH]c2C)C1 ZINC001002825844 747838068 /nfs/dbraw/zinc/83/80/68/747838068.db2.gz IQFVWAUOUNUAHH-HNNXBMFYSA-N 1 1 343.431 0.312 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cn(C)cn3)CC2)C1=O ZINC000985381375 747839704 /nfs/dbraw/zinc/83/97/04/747839704.db2.gz KVIVJQACUIWNGV-INIZCTEOSA-N 1 1 345.447 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)/C=C/c2ccco2)C1 ZINC001002828859 747843854 /nfs/dbraw/zinc/84/38/54/747843854.db2.gz IEJSPENOOJRHST-OZSKJFCKSA-N 1 1 341.411 0.965 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)/C=C/c2ccco2)C1 ZINC001002828859 747843859 /nfs/dbraw/zinc/84/38/59/747843859.db2.gz IEJSPENOOJRHST-OZSKJFCKSA-N 1 1 341.411 0.965 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)no2)C1 ZINC001002828754 747844126 /nfs/dbraw/zinc/84/41/26/747844126.db2.gz GQSQJYWZGATJRO-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)no2)C1 ZINC001002828754 747844135 /nfs/dbraw/zinc/84/41/35/747844135.db2.gz GQSQJYWZGATJRO-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001088237573 747845251 /nfs/dbraw/zinc/84/52/51/747845251.db2.gz XVAYNJZFPHCCAV-HNNXBMFYSA-N 1 1 335.448 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC2CCOCC2)C1 ZINC001002830467 747847366 /nfs/dbraw/zinc/84/73/66/747847366.db2.gz SSFQRQHNFKOFMP-KRWDZBQOSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC2CCOCC2)C1 ZINC001002830467 747847372 /nfs/dbraw/zinc/84/73/72/747847372.db2.gz SSFQRQHNFKOFMP-KRWDZBQOSA-N 1 1 347.459 0.475 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC000988498690 752217437 /nfs/dbraw/zinc/21/74/37/752217437.db2.gz FFETYLDGTKXMAB-DGCLKSJQSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2C=CC=CC=C2)C1 ZINC001002837078 747859802 /nfs/dbraw/zinc/85/98/02/747859802.db2.gz XPNZXIFJLCXRDT-SFHVURJKSA-N 1 1 339.439 0.957 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2C=CC=CC=C2)C1 ZINC001002837078 747859813 /nfs/dbraw/zinc/85/98/13/747859813.db2.gz XPNZXIFJLCXRDT-SFHVURJKSA-N 1 1 339.439 0.957 20 30 ECEDMO Cn1cnnc1C[N@H+](C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985386237 747866933 /nfs/dbraw/zinc/86/69/33/747866933.db2.gz JFZODULFGCQGPA-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1cnnc1C[N@@H+](C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985386237 747866942 /nfs/dbraw/zinc/86/69/42/747866942.db2.gz JFZODULFGCQGPA-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001088239752 747936575 /nfs/dbraw/zinc/93/65/75/747936575.db2.gz FSOSSOJZFUDPNU-MRXNPFEDSA-N 1 1 345.447 0.700 20 30 ECEDMO C=CCOCCN1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446858 747961831 /nfs/dbraw/zinc/96/18/31/747961831.db2.gz WFTDIXXFMFLDQH-HZPDHXFCSA-N 1 1 341.496 0.982 20 30 ECEDMO C=CCOCCN1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446858 747961834 /nfs/dbraw/zinc/96/18/34/747961834.db2.gz WFTDIXXFMFLDQH-HZPDHXFCSA-N 1 1 341.496 0.982 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3c[nH]c(C)n3)C2)C1=O ZINC001029674646 748033129 /nfs/dbraw/zinc/03/31/29/748033129.db2.gz HXSUKBNWSAFRPV-GOEBONIOSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001029674646 748033138 /nfs/dbraw/zinc/03/31/38/748033138.db2.gz HXSUKBNWSAFRPV-GOEBONIOSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001029674646 748033141 /nfs/dbraw/zinc/03/31/41/748033141.db2.gz HXSUKBNWSAFRPV-GOEBONIOSA-N 1 1 345.447 0.899 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCS(=O)(=O)CC2)C1 ZINC001029677114 748040553 /nfs/dbraw/zinc/04/05/53/748040553.db2.gz JCJZNFBWUANHCW-ZFWWWQNUSA-N 1 1 341.477 0.751 20 30 ECEDMO Cn1ncc(C[N@H+](C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001029707666 748109048 /nfs/dbraw/zinc/10/90/48/748109048.db2.gz DTJFBYKVXXJZPZ-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001029707666 748109051 /nfs/dbraw/zinc/10/90/51/748109051.db2.gz DTJFBYKVXXJZPZ-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@H]1CCCNC1=O ZINC001029712657 748124828 /nfs/dbraw/zinc/12/48/28/748124828.db2.gz XREACIWUFRQPPM-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cccn2)[nH]1 ZINC001027821884 748131292 /nfs/dbraw/zinc/13/12/92/748131292.db2.gz TYYYBVJLXZOBBW-LSDHHAIUSA-N 1 1 342.403 0.338 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000979654710 748164888 /nfs/dbraw/zinc/16/48/88/748164888.db2.gz FEYHSPJNFDZCGW-UMVBOHGHSA-N 1 1 343.431 0.853 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979655633 748166567 /nfs/dbraw/zinc/16/65/67/748166567.db2.gz IOZUZSLLPWHRPN-MQMHXKEQSA-N 1 1 340.387 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nnc(C)o2)C1 ZINC001029758477 748272211 /nfs/dbraw/zinc/27/22/11/748272211.db2.gz ZBKUSNXORININZ-CVEARBPZSA-N 1 1 345.447 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nnc(C)o2)C1 ZINC001029758477 748272215 /nfs/dbraw/zinc/27/22/15/748272215.db2.gz ZBKUSNXORININZ-CVEARBPZSA-N 1 1 345.447 0.756 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(CCOC)nn3)C[C@@H]2C1 ZINC000979730565 748303195 /nfs/dbraw/zinc/30/31/95/748303195.db2.gz WSFBFGNUVHKMBT-RRFJBIMHSA-N 1 1 333.436 0.941 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCOCC3=O)C[C@@H]2C1 ZINC000979797185 748413344 /nfs/dbraw/zinc/41/33/44/748413344.db2.gz PBLRXDWJXSZQQU-ARFHVFGLSA-N 1 1 333.432 0.085 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CN2CCCCS2(=O)=O)CC1 ZINC000985539974 748427812 /nfs/dbraw/zinc/42/78/12/748427812.db2.gz PCRVRBQRIHYYPU-UHFFFAOYSA-N 1 1 343.493 0.911 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 ZINC000979822097 748508637 /nfs/dbraw/zinc/50/86/37/748508637.db2.gz ZSTIJSNEFMQNRW-BRWVUGGUSA-N 1 1 340.427 0.958 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnnc(C)c2)C1=O ZINC001027848976 748619758 /nfs/dbraw/zinc/61/97/58/748619758.db2.gz PFXSSYOIJHJRCL-HZPDHXFCSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnnc(C)c2)C1=O ZINC001027848976 748619761 /nfs/dbraw/zinc/61/97/61/748619761.db2.gz PFXSSYOIJHJRCL-HZPDHXFCSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)C1=O ZINC001029831224 748655298 /nfs/dbraw/zinc/65/52/98/748655298.db2.gz SKZRPOQLCKMPNU-JSGCOSHPSA-N 1 1 349.410 0.730 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001029839866 748691143 /nfs/dbraw/zinc/69/11/43/748691143.db2.gz LAKJIHKDUYQBBG-BBWFWOEESA-N 1 1 340.427 0.960 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnn(C)n2)C1 ZINC001029845229 748749908 /nfs/dbraw/zinc/74/99/08/748749908.db2.gz AVNUBKXXUKXVOR-IMJJTQAJSA-N 1 1 333.436 0.687 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cnn(C)n2)C1 ZINC001029845229 748749910 /nfs/dbraw/zinc/74/99/10/748749910.db2.gz AVNUBKXXUKXVOR-IMJJTQAJSA-N 1 1 333.436 0.687 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001003642831 748754975 /nfs/dbraw/zinc/75/49/75/748754975.db2.gz QWBMXSOTXONSER-CVEARBPZSA-N 1 1 326.400 0.760 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC000979980300 748757442 /nfs/dbraw/zinc/75/74/42/748757442.db2.gz MHJHCKQQFDYTRC-HRCADAONSA-N 1 1 334.464 0.163 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCOC1 ZINC001003677746 748786630 /nfs/dbraw/zinc/78/66/30/748786630.db2.gz ZYKSEXZLEJDKTG-BIVLZKPYSA-N 1 1 345.443 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCOC1 ZINC001003677746 748786636 /nfs/dbraw/zinc/78/66/36/748786636.db2.gz ZYKSEXZLEJDKTG-BIVLZKPYSA-N 1 1 345.443 0.369 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059621225 748855459 /nfs/dbraw/zinc/85/54/59/748855459.db2.gz RJHZHKOAOBWTQR-HZPDHXFCSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059621225 748855466 /nfs/dbraw/zinc/85/54/66/748855466.db2.gz RJHZHKOAOBWTQR-HZPDHXFCSA-N 1 1 333.432 0.085 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CC[NH+](Cc3cncn3C)CC2)nn1 ZINC001003766399 748874292 /nfs/dbraw/zinc/87/42/92/748874292.db2.gz KRMKEEJKNCKZPT-UHFFFAOYSA-N 1 1 343.435 0.982 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817465 748887963 /nfs/dbraw/zinc/88/79/63/748887963.db2.gz JDQNATXITYGENT-HNNXBMFYSA-N 1 1 327.469 0.868 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001003792419 748900360 /nfs/dbraw/zinc/90/03/60/748900360.db2.gz CTPHEFJJXXAPBZ-OAHLLOKOSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cn(C)nn3)C2)nn1 ZINC001029860821 748970862 /nfs/dbraw/zinc/97/08/62/748970862.db2.gz XPPWIGUACCAIDE-CYBMUJFWSA-N 1 1 344.423 0.187 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cn(C)nn3)C2)nn1 ZINC001029860821 748970867 /nfs/dbraw/zinc/97/08/67/748970867.db2.gz XPPWIGUACCAIDE-CYBMUJFWSA-N 1 1 344.423 0.187 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)[C@@H](CC)C(N)=O)CC2)nc1 ZINC000985758601 749027102 /nfs/dbraw/zinc/02/71/02/749027102.db2.gz XORBKDUQMDQWKC-INIZCTEOSA-N 1 1 328.416 0.863 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000980131519 749059358 /nfs/dbraw/zinc/05/93/58/749059358.db2.gz ASEGRYFIOHYPIP-GRTSSRMGSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCCNC3=O)C[C@@H]2C1 ZINC000980143837 749060312 /nfs/dbraw/zinc/06/03/12/749060312.db2.gz QFLIXUNAXVPIKH-XHSDSOJGSA-N 1 1 332.448 0.642 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3C2)c1 ZINC000980145693 749063710 /nfs/dbraw/zinc/06/37/10/749063710.db2.gz JAZHCMAIXJSGBV-NUEKZKHPSA-N 1 1 326.400 0.379 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn(CCOC)n3)C[C@@H]2C1 ZINC000980151742 749074385 /nfs/dbraw/zinc/07/43/85/749074385.db2.gz YNMYGYMCKKJYMT-XHSDSOJGSA-N 1 1 330.432 0.993 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001059648218 749113334 /nfs/dbraw/zinc/11/33/34/749113334.db2.gz OPSWXQCDMYDTAV-INIZCTEOSA-N 1 1 346.431 0.586 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC000980181583 749118092 /nfs/dbraw/zinc/11/80/92/749118092.db2.gz FHJNQPQNVINYHU-QEJZJMRPSA-N 1 1 333.432 0.832 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001003993230 749119992 /nfs/dbraw/zinc/11/99/92/749119992.db2.gz VIVFWYRNOHEINU-UHFFFAOYSA-N 1 1 344.415 0.376 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCOCC3)C[C@H]2C1 ZINC000980185054 749134269 /nfs/dbraw/zinc/13/42/69/749134269.db2.gz SNKYSPPLTXEXHM-ULQDDVLXSA-N 1 1 333.476 0.947 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)nn1 ZINC000980185531 749136039 /nfs/dbraw/zinc/13/60/39/749136039.db2.gz WFOOBIZWOKLMPC-HZSPNIEDSA-N 1 1 346.435 0.170 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1ncccc1C#N ZINC001126255493 749151423 /nfs/dbraw/zinc/15/14/23/749151423.db2.gz WTZQROMELUOZRV-OAHLLOKOSA-N 1 1 331.420 0.616 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC000980206193 749182702 /nfs/dbraw/zinc/18/27/02/749182702.db2.gz GGVPLDICOGABRS-KKUMJFAQSA-N 1 1 346.431 0.120 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]2C1 ZINC000980204739 749198626 /nfs/dbraw/zinc/19/86/26/749198626.db2.gz BBNZYTAMRWSPDT-QJPTWQEYSA-N 1 1 346.387 0.360 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000980219074 749214228 /nfs/dbraw/zinc/21/42/28/749214228.db2.gz NQVMIGYSEWBVTM-RRFJBIMHSA-N 1 1 348.447 0.721 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cnon3)C2)C1=O ZINC001029870469 749223873 /nfs/dbraw/zinc/22/38/73/749223873.db2.gz UBMMPNAPTOPNGT-OCCSQVGLSA-N 1 1 333.392 0.250 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]2C1 ZINC000980238241 749241596 /nfs/dbraw/zinc/24/15/96/749241596.db2.gz VMCOAGOGMVCJMV-MELADBBJSA-N 1 1 348.447 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3[nH]cnc3C)C2)C1=O ZINC000980268409 749278912 /nfs/dbraw/zinc/27/89/12/749278912.db2.gz GRZGUTIVVRHNAQ-HOCLYGCPSA-N 1 1 345.447 0.580 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001004177066 749286376 /nfs/dbraw/zinc/28/63/76/749286376.db2.gz RSICKFQNYXSZRN-CQSZACIVSA-N 1 1 329.828 0.567 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC001004199962 749306835 /nfs/dbraw/zinc/30/68/35/749306835.db2.gz YKRSCDFLENMEDS-AWEZNQCLSA-N 1 1 340.427 0.593 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)c3nonc3C)CC2)C1=O ZINC001004267071 749368333 /nfs/dbraw/zinc/36/83/33/749368333.db2.gz PGAGIQPQAHDYSX-CYBMUJFWSA-N 1 1 333.392 0.359 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)cn1 ZINC001029891156 749460257 /nfs/dbraw/zinc/46/02/57/749460257.db2.gz BYNOMNKGQHOEGB-CZUORRHYSA-N 1 1 326.400 0.345 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088461330 749478499 /nfs/dbraw/zinc/47/84/99/749478499.db2.gz BSCWQZUCYFIDGW-DOMZBBRYSA-N 1 1 325.376 0.324 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1C#N ZINC001088461330 749478504 /nfs/dbraw/zinc/47/85/04/749478504.db2.gz BSCWQZUCYFIDGW-DOMZBBRYSA-N 1 1 325.376 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cn(CCOC)nn2)CC1 ZINC001004432124 749489617 /nfs/dbraw/zinc/48/96/17/749489617.db2.gz DBYONKGQFWYEMT-KRWDZBQOSA-N 1 1 345.447 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001004549216 749610590 /nfs/dbraw/zinc/61/05/90/749610590.db2.gz VJHHVEXPVMVAEZ-OWCLPIDISA-N 1 1 333.432 0.356 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000986178165 749636655 /nfs/dbraw/zinc/63/66/55/749636655.db2.gz STXHPJWGUVMBRY-SMDDNHRTSA-N 1 1 342.407 0.847 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001004580441 749653979 /nfs/dbraw/zinc/65/39/79/749653979.db2.gz DLVVUSOVYDAIQI-HNNXBMFYSA-N 1 1 348.447 0.817 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004632418 749711129 /nfs/dbraw/zinc/71/11/29/749711129.db2.gz FKGBRDGGKOXBEB-HZPDHXFCSA-N 1 1 345.443 0.766 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004637833 749717650 /nfs/dbraw/zinc/71/76/50/749717650.db2.gz XHPJGGBXQZSJJC-HUUCEWRRSA-N 1 1 333.432 0.928 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC000986284008 749751811 /nfs/dbraw/zinc/75/18/11/749751811.db2.gz WOXDNDHRVPVKNF-KFWWJZLASA-N 1 1 332.448 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)OC)CC[C@@H]2C1 ZINC000986308060 749777430 /nfs/dbraw/zinc/77/74/30/749777430.db2.gz FKINWUATSUPNHS-NCOADZHNSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)OC)CC[C@@H]2C1 ZINC000986308060 749777435 /nfs/dbraw/zinc/77/74/35/749777435.db2.gz FKINWUATSUPNHS-NCOADZHNSA-N 1 1 347.459 0.426 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3[nH]cnc3C)C2)C1=O ZINC000980567657 749808685 /nfs/dbraw/zinc/80/86/85/749808685.db2.gz VCGVZRBAVRSJSL-KGLIPLIRSA-N 1 1 331.420 0.651 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001027968430 750044891 /nfs/dbraw/zinc/04/48/91/750044891.db2.gz QWYZUFQXKSOLHX-AWEZNQCLSA-N 1 1 326.462 0.968 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001027968430 750044897 /nfs/dbraw/zinc/04/48/97/750044897.db2.gz QWYZUFQXKSOLHX-AWEZNQCLSA-N 1 1 326.462 0.968 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001030182377 762009170 /nfs/dbraw/zinc/00/91/70/762009170.db2.gz KLPVAFJRYNOSLU-INIZCTEOSA-N 1 1 332.379 0.328 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001030182377 762009179 /nfs/dbraw/zinc/00/91/79/762009179.db2.gz KLPVAFJRYNOSLU-INIZCTEOSA-N 1 1 332.379 0.328 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3CCCOC3)CC2)C1=O ZINC000980827423 750216832 /nfs/dbraw/zinc/21/68/32/750216832.db2.gz CWZAFVXPJPUXDL-HZPDHXFCSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3CCCOC3)CC2)C1=O ZINC000980827423 750216838 /nfs/dbraw/zinc/21/68/38/750216838.db2.gz CWZAFVXPJPUXDL-HZPDHXFCSA-N 1 1 335.448 0.734 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCCN(Cc3ccccc3C#N)CC2)C1 ZINC000980893391 750301370 /nfs/dbraw/zinc/30/13/70/750301370.db2.gz KQQCMWNCOGGONH-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCCN(Cc3ccccc3C#N)CC2)C1 ZINC000980893391 750301374 /nfs/dbraw/zinc/30/13/74/750301374.db2.gz KQQCMWNCOGGONH-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[N@H+](CCN3CCCC3=O)CC2)c1 ZINC000980917696 750352767 /nfs/dbraw/zinc/35/27/67/750352767.db2.gz WHGAFNQTQRRMJX-UHFFFAOYSA-N 1 1 329.404 0.657 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[N@@H+](CCN3CCCC3=O)CC2)c1 ZINC000980917696 750352769 /nfs/dbraw/zinc/35/27/69/750352769.db2.gz WHGAFNQTQRRMJX-UHFFFAOYSA-N 1 1 329.404 0.657 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001058857602 750354503 /nfs/dbraw/zinc/35/45/03/750354503.db2.gz TVLJEQVMDAXXRW-GXTWGEPZSA-N 1 1 333.367 0.436 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001058857602 750354510 /nfs/dbraw/zinc/35/45/10/750354510.db2.gz TVLJEQVMDAXXRW-GXTWGEPZSA-N 1 1 333.367 0.436 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CCc4ncnn43)CC2)[nH]1 ZINC000980992009 750428307 /nfs/dbraw/zinc/42/83/07/750428307.db2.gz XYEGSHCGLLZZEK-CQSZACIVSA-N 1 1 339.403 0.813 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)cc1 ZINC001028066697 750464156 /nfs/dbraw/zinc/46/41/56/750464156.db2.gz GSTHVHAZNUGJSU-HOTGVXAUSA-N 1 1 339.395 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)cc1 ZINC001028066697 750464159 /nfs/dbraw/zinc/46/41/59/750464159.db2.gz GSTHVHAZNUGJSU-HOTGVXAUSA-N 1 1 339.395 0.667 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3nnn(C(C)C)c3C)C2)nn1 ZINC001105352133 750466023 /nfs/dbraw/zinc/46/60/23/750466023.db2.gz QVHKHPRPTILLOP-UHFFFAOYSA-N 1 1 344.423 0.732 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)c(F)c1 ZINC001028073190 750489770 /nfs/dbraw/zinc/48/97/70/750489770.db2.gz RSFGBBBAIACAGD-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)c(F)c1 ZINC001028073190 750489775 /nfs/dbraw/zinc/48/97/75/750489775.db2.gz RSFGBBBAIACAGD-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2C#N)NC1=O ZINC001028076274 750542555 /nfs/dbraw/zinc/54/25/55/750542555.db2.gz KRRGLYZEFOCPKX-HZPDHXFCSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2C#N)NC1=O ZINC001028076274 750542557 /nfs/dbraw/zinc/54/25/57/750542557.db2.gz KRRGLYZEFOCPKX-HZPDHXFCSA-N 1 1 341.415 0.662 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccc(OC)nn3)C2)nn1 ZINC001105356533 750558294 /nfs/dbraw/zinc/55/82/94/750558294.db2.gz YTNQVAOXPQGSEI-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ncnn2CC)CC1 ZINC000981361617 750625848 /nfs/dbraw/zinc/62/58/48/750625848.db2.gz VFWLGPSKSDDRGC-INIZCTEOSA-N 1 1 344.463 0.430 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ncnn2CC)CC1 ZINC000981361617 750625851 /nfs/dbraw/zinc/62/58/51/750625851.db2.gz VFWLGPSKSDDRGC-INIZCTEOSA-N 1 1 344.463 0.430 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088549731 750629602 /nfs/dbraw/zinc/62/96/02/750629602.db2.gz BKVCVJXCBRKHLO-ONERCXAPSA-N 1 1 346.362 0.885 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088549731 750629605 /nfs/dbraw/zinc/62/96/05/750629605.db2.gz BKVCVJXCBRKHLO-ONERCXAPSA-N 1 1 346.362 0.885 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088550223 750640503 /nfs/dbraw/zinc/64/05/03/750640503.db2.gz SGEWSBZDNSNXJF-ONERCXAPSA-N 1 1 346.362 0.885 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088550223 750640504 /nfs/dbraw/zinc/64/05/04/750640504.db2.gz SGEWSBZDNSNXJF-ONERCXAPSA-N 1 1 346.362 0.885 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001005826049 750693277 /nfs/dbraw/zinc/69/32/77/750693277.db2.gz ZRPWVVBBTCXRGQ-GUYCJALGSA-N 1 1 340.427 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001005849218 750725360 /nfs/dbraw/zinc/72/53/60/750725360.db2.gz CZVWNWCTNFKEIQ-HIFRSBDPSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001005849218 750725365 /nfs/dbraw/zinc/72/53/65/750725365.db2.gz CZVWNWCTNFKEIQ-HIFRSBDPSA-N 1 1 335.448 0.636 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001005922299 750805760 /nfs/dbraw/zinc/80/57/60/750805760.db2.gz NBYIVZFZVOQRGC-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001005940701 750823543 /nfs/dbraw/zinc/82/35/43/750823543.db2.gz UABOVLNGIQZPER-OLZOCXBDSA-N 1 1 343.431 0.805 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001028110120 750907223 /nfs/dbraw/zinc/90/72/23/750907223.db2.gz RIPJRFZTPUGTLN-ZFWWWQNUSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001028110120 750907229 /nfs/dbraw/zinc/90/72/29/750907229.db2.gz RIPJRFZTPUGTLN-ZFWWWQNUSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CC[NH+](CC(=O)N(C)C)CC2)nn1 ZINC001006113703 751029127 /nfs/dbraw/zinc/02/91/27/751029127.db2.gz YGRZETDIUFOOEE-UHFFFAOYSA-N 1 1 348.451 0.479 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)n3cccn3)C2)nn1 ZINC001105357925 751045616 /nfs/dbraw/zinc/04/56/16/751045616.db2.gz ODMKYBLOCONIMC-CYBMUJFWSA-N 1 1 329.408 0.785 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001006137646 751062467 /nfs/dbraw/zinc/06/24/67/751062467.db2.gz ZABFQWMBECPQSP-UHFFFAOYSA-N 1 1 327.812 0.715 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CCC[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC000981758366 751079937 /nfs/dbraw/zinc/07/99/37/751079937.db2.gz NFKHCNVVOCHKJY-KRWDZBQOSA-N 1 1 342.443 0.582 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CCC[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC000981758627 751080951 /nfs/dbraw/zinc/08/09/51/751080951.db2.gz XILODLKPGDPFMS-UHFFFAOYSA-N 1 1 343.427 0.473 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001006180647 751093645 /nfs/dbraw/zinc/09/36/45/751093645.db2.gz JQPIZGXDUQFARW-YWPYICTPSA-N 1 1 343.431 0.803 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)n1 ZINC001059824417 751118311 /nfs/dbraw/zinc/11/83/11/751118311.db2.gz AFAOHWHQKSGQDK-MUYACECFSA-N 1 1 328.420 0.914 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c(C#N)cn1 ZINC001059824714 751123870 /nfs/dbraw/zinc/12/38/70/751123870.db2.gz JECVHPLOWDMJTO-DANNLKNASA-N 1 1 327.432 0.940 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)[C@H]2CCCO2)C1 ZINC001006237684 751144980 /nfs/dbraw/zinc/14/49/80/751144980.db2.gz KQBYOJGWOVCGDL-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)[C@H]2CCCO2)C1 ZINC001006237684 751144985 /nfs/dbraw/zinc/14/49/85/751144985.db2.gz KQBYOJGWOVCGDL-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCN(CC)C2=O)c1 ZINC001028128679 751153614 /nfs/dbraw/zinc/15/36/14/751153614.db2.gz JQCOREOFKVXLEG-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCN(CC)C2=O)c1 ZINC001028128679 751153617 /nfs/dbraw/zinc/15/36/17/751153617.db2.gz JQCOREOFKVXLEG-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCCOCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059831064 751169466 /nfs/dbraw/zinc/16/94/66/751169466.db2.gz MFGHSFUDENFAAK-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)nn1 ZINC001105358284 751171600 /nfs/dbraw/zinc/17/16/00/751171600.db2.gz VOFSNNSADVAPGX-ZDUSSCGKSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccsn2)C1 ZINC001006313158 751231815 /nfs/dbraw/zinc/23/18/15/751231815.db2.gz PXCRAQGFRCTKDP-WFASDCNBSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccsn2)C1 ZINC001006313158 751231820 /nfs/dbraw/zinc/23/18/20/751231820.db2.gz PXCRAQGFRCTKDP-WFASDCNBSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccn(C)c2)C1 ZINC001006318886 751240984 /nfs/dbraw/zinc/24/09/84/751240984.db2.gz JUPJJOJWUTTYRC-PBHICJAKSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccn(C)c2)C1 ZINC001006318886 751240988 /nfs/dbraw/zinc/24/09/88/751240988.db2.gz JUPJJOJWUTTYRC-PBHICJAKSA-N 1 1 342.443 0.699 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC000981887494 751249427 /nfs/dbraw/zinc/24/94/27/751249427.db2.gz HGOSAQGIVRFVRD-QGZVFWFLSA-N 1 1 336.436 0.675 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC000981887494 751249430 /nfs/dbraw/zinc/24/94/30/751249430.db2.gz HGOSAQGIVRFVRD-QGZVFWFLSA-N 1 1 336.436 0.675 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001020904304 752316224 /nfs/dbraw/zinc/31/62/24/752316224.db2.gz SCLYOCLENKPYCT-HDJSIYSDSA-N 1 1 340.387 0.664 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)Oc3ccccn3)C2)nn1 ZINC001105362849 752318025 /nfs/dbraw/zinc/31/80/25/752318025.db2.gz LXLMDOROJGPROY-ZDUSSCGKSA-N 1 1 342.403 0.800 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C(C)(C)c3cnc[nH]3)C2)C1=O ZINC001020931917 752357017 /nfs/dbraw/zinc/35/70/17/752357017.db2.gz IBNZLCAZFIOCRB-IHRRRGAJSA-N 1 1 345.447 0.711 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1OC ZINC001212032404 752430512 /nfs/dbraw/zinc/43/05/12/752430512.db2.gz YSAVCHORNULALJ-BZUAXINKSA-N 1 1 326.437 0.821 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988650318 752469910 /nfs/dbraw/zinc/46/99/10/752469910.db2.gz DUDCERQIGOFCRA-DGCLKSJQSA-N 1 1 345.382 0.840 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccnn2C)C1 ZINC001007520046 752476533 /nfs/dbraw/zinc/47/65/33/752476533.db2.gz WXUMYFFRKGIJLT-RDJZCZTQSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccnn2C)C1 ZINC001007520046 752476541 /nfs/dbraw/zinc/47/65/41/752476541.db2.gz WXUMYFFRKGIJLT-RDJZCZTQSA-N 1 1 329.448 0.598 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988654642 752487304 /nfs/dbraw/zinc/48/73/04/752487304.db2.gz MGEVQZPMTDJMKB-JQWIXIFHSA-N 1 1 340.391 0.601 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001007544511 752503679 /nfs/dbraw/zinc/50/36/79/752503679.db2.gz UAUPXAICXBLZAH-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001007544511 752503682 /nfs/dbraw/zinc/50/36/82/752503682.db2.gz UAUPXAICXBLZAH-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)NC(=O)CC)C2)nn1 ZINC001098678350 752518619 /nfs/dbraw/zinc/51/86/19/752518619.db2.gz HJMQEEPWUCDGIY-OCCSQVGLSA-N 1 1 334.424 0.242 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc[nH]n3)[C@@H]2C1 ZINC001021133259 752573591 /nfs/dbraw/zinc/57/35/91/752573591.db2.gz OAQDXXZTECAYEW-CWRNSKLLSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc[nH]n3)[C@@H]2C1 ZINC001021133259 752573595 /nfs/dbraw/zinc/57/35/95/752573595.db2.gz OAQDXXZTECAYEW-CWRNSKLLSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001021133259 752573597 /nfs/dbraw/zinc/57/35/97/752573597.db2.gz OAQDXXZTECAYEW-CWRNSKLLSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001021133259 752573601 /nfs/dbraw/zinc/57/36/01/752573601.db2.gz OAQDXXZTECAYEW-CWRNSKLLSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC000982503640 752598825 /nfs/dbraw/zinc/59/88/25/752598825.db2.gz FYUMESCEEUMDAD-ZFWWWQNUSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC000982503640 752598832 /nfs/dbraw/zinc/59/88/32/752598832.db2.gz FYUMESCEEUMDAD-ZFWWWQNUSA-N 1 1 330.388 0.351 20 30 ECEDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](CC#Cc1ccccc1)C2 ZINC000982503981 752602314 /nfs/dbraw/zinc/60/23/14/752602314.db2.gz SJAIOWSEDKATFJ-KDURUIRLSA-N 1 1 325.412 0.694 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cnsn3)C2)C1=O ZINC001028426784 752618510 /nfs/dbraw/zinc/61/85/10/752618510.db2.gz OIJHYNAZPZFWFY-DGCLKSJQSA-N 1 1 335.433 0.377 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ncoc3C)C2)C1=O ZINC001028431981 752624832 /nfs/dbraw/zinc/62/48/32/752624832.db2.gz WWVYHPUUTGNSAA-KBPBESRZSA-N 1 1 332.404 0.822 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001028448970 752678509 /nfs/dbraw/zinc/67/85/09/752678509.db2.gz RBDPVTGIDLGUGJ-DZGCQCFKSA-N 1 1 331.420 0.557 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)s1 ZINC001028448854 752686785 /nfs/dbraw/zinc/68/67/85/752686785.db2.gz OSAJQQZAOCXWPV-SMDDNHRTSA-N 1 1 332.429 0.836 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001212092900 752714642 /nfs/dbraw/zinc/71/46/42/752714642.db2.gz WCDJYZIDUYYZFC-RBSFLKMASA-N 1 1 341.452 0.261 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001212092900 752714646 /nfs/dbraw/zinc/71/46/46/752714646.db2.gz WCDJYZIDUYYZFC-RBSFLKMASA-N 1 1 341.452 0.261 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)/C=C/C3CC3)[C@H](OC)C2)C1=O ZINC001212086585 752718082 /nfs/dbraw/zinc/71/80/82/752718082.db2.gz CBDUDHFKMRISPR-JZNSLKIISA-N 1 1 333.432 0.555 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)/C=C/C3CC3)[C@H](OC)C2)C1=O ZINC001212086585 752718086 /nfs/dbraw/zinc/71/80/86/752718086.db2.gz CBDUDHFKMRISPR-JZNSLKIISA-N 1 1 333.432 0.555 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001007654933 752719262 /nfs/dbraw/zinc/71/92/62/752719262.db2.gz PDBLDPQLFMTMDQ-APWZRJJASA-N 1 1 345.443 0.181 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001007655365 752721527 /nfs/dbraw/zinc/72/15/27/752721527.db2.gz HELKVCGDQLDGTB-GUYCJALGSA-N 1 1 345.403 0.181 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000938051558 752771257 /nfs/dbraw/zinc/77/12/57/752771257.db2.gz QIWFDLHDJATTDU-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000938051558 752771260 /nfs/dbraw/zinc/77/12/60/752771260.db2.gz QIWFDLHDJATTDU-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028487351 752833697 /nfs/dbraw/zinc/83/36/97/752833697.db2.gz VTGLLFMMEHJLCY-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001028491138 752834054 /nfs/dbraw/zinc/83/40/54/752834054.db2.gz SJJIIGGUTIDBQN-CZUORRHYSA-N 1 1 348.472 0.888 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)C#CC2CC2)C1 ZINC000988811925 752914465 /nfs/dbraw/zinc/91/44/65/752914465.db2.gz LOLMQRKVJZYZPE-DZGCQCFKSA-N 1 1 330.436 0.966 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)CN1C(=O)C#CC1CC1 ZINC000988828754 752941847 /nfs/dbraw/zinc/94/18/47/752941847.db2.gz XXMWDCNTGDIGAQ-OCCSQVGLSA-N 1 1 329.404 0.301 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001059934923 752957507 /nfs/dbraw/zinc/95/75/07/752957507.db2.gz XMQHUHZOPDDEOP-CABCVRRESA-N 1 1 336.436 0.223 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3sccn3c2=O)C1 ZINC001007848707 752988118 /nfs/dbraw/zinc/98/81/18/752988118.db2.gz JVEPSRBADNELEQ-GFCCVEGCSA-N 1 1 330.413 0.974 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cnc3sccn3c2=O)C1 ZINC001007851124 752991840 /nfs/dbraw/zinc/99/18/40/752991840.db2.gz PFZCHHZFPZBJAW-LBPRGKRZSA-N 1 1 330.413 0.974 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001028518172 753012450 /nfs/dbraw/zinc/01/24/50/753012450.db2.gz PYMHNIRQSHIOJL-JTQLQIEISA-N 1 1 328.214 0.775 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001028518172 753012453 /nfs/dbraw/zinc/01/24/53/753012453.db2.gz PYMHNIRQSHIOJL-JTQLQIEISA-N 1 1 328.214 0.775 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001007952623 753121716 /nfs/dbraw/zinc/12/17/16/753121716.db2.gz MYTCNJOXZUQSIH-HZPDHXFCSA-N 1 1 345.447 0.559 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000988989371 753122132 /nfs/dbraw/zinc/12/21/32/753122132.db2.gz QXGVZTDECPGTQY-WCVJEAGWSA-N 1 1 346.431 0.888 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC001007970310 753151516 /nfs/dbraw/zinc/15/15/16/753151516.db2.gz QKOJZDICEQBNAP-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001008050903 753241367 /nfs/dbraw/zinc/24/13/67/753241367.db2.gz FGCLHKQTJASXQR-ZDUSSCGKSA-N 1 1 327.392 0.828 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCc2ccccc2C#N)C1 ZINC001051493088 762199800 /nfs/dbraw/zinc/19/98/00/762199800.db2.gz HIUUIAQUSJOQIW-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCc2ccccc2C#N)C1 ZINC001051493088 762199805 /nfs/dbraw/zinc/19/98/05/762199805.db2.gz HIUUIAQUSJOQIW-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC001008074880 753278184 /nfs/dbraw/zinc/27/81/84/753278184.db2.gz KCQDNYZXTBWWHW-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@]2(C)C1 ZINC000982702210 753338253 /nfs/dbraw/zinc/33/82/53/753338253.db2.gz FIAAZQZQGIXCFL-HDICACEKSA-N 1 1 346.431 0.120 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)cc1F ZINC001008176783 753425205 /nfs/dbraw/zinc/42/52/05/753425205.db2.gz LJCDNTMSFWMRDP-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)cc1F ZINC001008176783 753425210 /nfs/dbraw/zinc/42/52/10/753425210.db2.gz LJCDNTMSFWMRDP-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@]2(C)C1 ZINC000982727228 753425710 /nfs/dbraw/zinc/42/57/10/753425710.db2.gz DOBDNYBFYZASEB-CALCHBBNSA-N 1 1 334.420 0.237 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)C1 ZINC001008177176 753426163 /nfs/dbraw/zinc/42/61/63/753426163.db2.gz ZEFDGTZXWFCGAU-DZGCQCFKSA-N 1 1 343.431 0.805 20 30 ECEDMO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1CCNC1=O ZINC001008179017 753429080 /nfs/dbraw/zinc/42/90/80/753429080.db2.gz SXESACUYPRJWRS-IAGOWNOFSA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCNC1=O ZINC001008179017 753429083 /nfs/dbraw/zinc/42/90/83/753429083.db2.gz SXESACUYPRJWRS-IAGOWNOFSA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC000982739453 753449873 /nfs/dbraw/zinc/44/98/73/753449873.db2.gz MMIYUUJEVDXLMA-FVQBIDKESA-N 1 1 333.432 0.084 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC000982739453 753449879 /nfs/dbraw/zinc/44/98/79/753449879.db2.gz MMIYUUJEVDXLMA-FVQBIDKESA-N 1 1 333.432 0.084 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001008232803 753488534 /nfs/dbraw/zinc/48/85/34/753488534.db2.gz PBGSUFHVFQQZBN-LJIZCISZSA-N 1 1 333.432 0.246 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001008232803 753488540 /nfs/dbraw/zinc/48/85/40/753488540.db2.gz PBGSUFHVFQQZBN-LJIZCISZSA-N 1 1 333.432 0.246 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001008232804 753488716 /nfs/dbraw/zinc/48/87/16/753488716.db2.gz PBGSUFHVFQQZBN-OWYFMNJBSA-N 1 1 333.432 0.246 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001008232804 753488718 /nfs/dbraw/zinc/48/87/18/753488718.db2.gz PBGSUFHVFQQZBN-OWYFMNJBSA-N 1 1 333.432 0.246 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@@]2(C)C1 ZINC000982772414 753519338 /nfs/dbraw/zinc/51/93/38/753519338.db2.gz JVPKLYQFVWSMQV-QRQLOZEOSA-N 1 1 347.459 0.427 20 30 ECEDMO Cc1cc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001068464360 790323155 /nfs/dbraw/zinc/32/31/55/790323155.db2.gz ISJQCAQBHXPCMC-FRFSOERESA-N 1 1 343.431 0.321 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000982780697 753548750 /nfs/dbraw/zinc/54/87/50/753548750.db2.gz GTMZWLORXFBCLR-CHWSQXEVSA-N 1 1 329.404 0.416 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)nn1 ZINC001098680738 753583354 /nfs/dbraw/zinc/58/33/54/753583354.db2.gz IRGDPCQITRSACZ-UKRRQHHQSA-N 1 1 346.435 0.196 20 30 ECEDMO Cc1cc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001068464360 790323161 /nfs/dbraw/zinc/32/31/61/790323161.db2.gz ISJQCAQBHXPCMC-FRFSOERESA-N 1 1 343.431 0.321 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnc3ccc(OC)nn32)[C@H]1C ZINC001088676199 753672028 /nfs/dbraw/zinc/67/20/28/753672028.db2.gz VPJSLERSBCPCGT-OLZOCXBDSA-N 1 1 327.388 0.954 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cn3c(C)csc3=O)C2)nn1 ZINC001105372649 753676297 /nfs/dbraw/zinc/67/62/97/753676297.db2.gz RCQNYADVBYDDSX-UHFFFAOYSA-N 1 1 348.432 0.169 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cnc4c(c3)NC(=O)CO4)CCC[C@@H]12 ZINC000991623091 762240045 /nfs/dbraw/zinc/24/00/45/762240045.db2.gz JOPPMLUHGLNNHL-KDOFPFPSSA-N 1 1 340.383 0.773 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]2O)c1 ZINC001083392604 753794664 /nfs/dbraw/zinc/79/46/64/753794664.db2.gz QPNDZECIDPJATA-MAZHCROVSA-N 1 1 332.404 0.478 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001105558107 753829552 /nfs/dbraw/zinc/82/95/52/753829552.db2.gz MHMKHTLCFXFYKZ-CYBMUJFWSA-N 1 1 330.436 0.893 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001028608893 753910505 /nfs/dbraw/zinc/91/05/05/753910505.db2.gz FBWDSXPDCSOKOB-NWDGAFQWSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001028608893 753910511 /nfs/dbraw/zinc/91/05/11/753910511.db2.gz FBWDSXPDCSOKOB-NWDGAFQWSA-N 1 1 344.253 0.859 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001149137549 753936806 /nfs/dbraw/zinc/93/68/06/753936806.db2.gz PUWCDGGDRPRQCU-KBPBESRZSA-N 1 1 334.420 0.526 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001149137549 753936811 /nfs/dbraw/zinc/93/68/11/753936811.db2.gz PUWCDGGDRPRQCU-KBPBESRZSA-N 1 1 334.420 0.526 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C(N)=O)cn3)C[C@@]2(C)C1 ZINC000982849870 753985997 /nfs/dbraw/zinc/98/59/97/753985997.db2.gz CQJAFRYMERLMGR-KDURUIRLSA-N 1 1 340.427 0.988 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001077457649 762260886 /nfs/dbraw/zinc/26/08/86/762260886.db2.gz WUODWHPBMCULNL-NWANDNLSSA-N 1 1 334.420 0.275 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001077457649 762260889 /nfs/dbraw/zinc/26/08/89/762260889.db2.gz WUODWHPBMCULNL-NWANDNLSSA-N 1 1 334.420 0.275 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028636770 754064120 /nfs/dbraw/zinc/06/41/20/754064120.db2.gz HLJKACJEEYJFMK-JTQLQIEISA-N 1 1 347.824 0.731 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028636770 754064122 /nfs/dbraw/zinc/06/41/22/754064122.db2.gz HLJKACJEEYJFMK-JTQLQIEISA-N 1 1 347.824 0.731 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cnn(C)c3)C2)nn1 ZINC001105376927 754067174 /nfs/dbraw/zinc/06/71/74/754067174.db2.gz LMVFSSOUPOFFTE-UHFFFAOYSA-N 1 1 329.408 0.303 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccoc3)[C@@H]2C1 ZINC001008785869 754116328 /nfs/dbraw/zinc/11/63/28/754116328.db2.gz AEIGEWFIUGSDFL-NXOAAHMSSA-N 1 1 341.411 0.811 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccoc3)[C@@H]2C1 ZINC001008785869 754116333 /nfs/dbraw/zinc/11/63/33/754116333.db2.gz AEIGEWFIUGSDFL-NXOAAHMSSA-N 1 1 341.411 0.811 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001008839070 754183910 /nfs/dbraw/zinc/18/39/10/754183910.db2.gz IQAJKTVTTKCMCQ-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2nonc2C)C1 ZINC000982923791 754207433 /nfs/dbraw/zinc/20/74/33/754207433.db2.gz RCJUATDONMZHMT-KGLIPLIRSA-N 1 1 345.403 0.054 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2nonc2C)C1 ZINC000982923791 754207441 /nfs/dbraw/zinc/20/74/41/754207441.db2.gz RCJUATDONMZHMT-KGLIPLIRSA-N 1 1 345.403 0.054 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000982958978 754295000 /nfs/dbraw/zinc/29/50/00/754295000.db2.gz KZAOGGLCDYNGJR-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000982958976 754295194 /nfs/dbraw/zinc/29/51/94/754295194.db2.gz KZAOGGLCDYNGJR-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)Cn2cc[nH+]c2C)n1 ZINC001105867488 762291649 /nfs/dbraw/zinc/29/16/49/762291649.db2.gz XFCZEMUTMYEYNI-ZDUSSCGKSA-N 1 1 343.391 0.005 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1CN(C(=O)COC)C2 ZINC001008952347 754352759 /nfs/dbraw/zinc/35/27/59/754352759.db2.gz IQMGWAKAOHJXFZ-BXWFABGCSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1CN(C(=O)COC)C2 ZINC001008952347 754352763 /nfs/dbraw/zinc/35/27/63/754352763.db2.gz IQMGWAKAOHJXFZ-BXWFABGCSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)c3cc(CC)[nH]n3)CC2)C1=O ZINC000989981845 754618763 /nfs/dbraw/zinc/61/87/63/754618763.db2.gz WSWFHJMVYXVJST-OAHLLOKOSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C(C)(C)C)C[C@H]21 ZINC001009194919 754638633 /nfs/dbraw/zinc/63/86/33/754638633.db2.gz YKPQAMMJNXFFLL-JONQDZQNSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C(C)(C)C)C[C@H]21 ZINC001009194919 754638635 /nfs/dbraw/zinc/63/86/35/754638635.db2.gz YKPQAMMJNXFFLL-JONQDZQNSA-N 1 1 331.460 0.951 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001060007738 754688372 /nfs/dbraw/zinc/68/83/72/754688372.db2.gz PQSDBYVVAPJNGB-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001060007738 754688379 /nfs/dbraw/zinc/68/83/79/754688379.db2.gz PQSDBYVVAPJNGB-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001060008358 754694725 /nfs/dbraw/zinc/69/47/25/754694725.db2.gz ZGGNRKBNGVBINJ-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001060008358 754694726 /nfs/dbraw/zinc/69/47/26/754694726.db2.gz ZGGNRKBNGVBINJ-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC001009278314 754737208 /nfs/dbraw/zinc/73/72/08/754737208.db2.gz UPPPIBHUUNSWDJ-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC001009278314 754737209 /nfs/dbraw/zinc/73/72/09/754737209.db2.gz UPPPIBHUUNSWDJ-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990162776 754788250 /nfs/dbraw/zinc/78/82/50/754788250.db2.gz PJCNXBDJSBKMMN-JKIFEVAISA-N 1 1 329.404 0.877 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001009351417 754797375 /nfs/dbraw/zinc/79/73/75/754797375.db2.gz JEGNJTHNIBEADU-PBHICJAKSA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001009351417 754797379 /nfs/dbraw/zinc/79/73/79/754797379.db2.gz JEGNJTHNIBEADU-PBHICJAKSA-N 1 1 327.428 0.926 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001028724904 754859755 /nfs/dbraw/zinc/85/97/55/754859755.db2.gz RIPWXWBJBOKAAU-LBPRGKRZSA-N 1 1 330.396 0.322 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cncn3)C2)s1 ZINC001009435805 754890773 /nfs/dbraw/zinc/89/07/73/754890773.db2.gz NYHRVYSRIOTFNX-GFCCVEGCSA-N 1 1 330.417 0.992 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cncn3)C2)s1 ZINC001009435805 754890780 /nfs/dbraw/zinc/89/07/80/754890780.db2.gz NYHRVYSRIOTFNX-GFCCVEGCSA-N 1 1 330.417 0.992 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCn2cncn2)CC3)c[nH]1 ZINC000990287653 754925011 /nfs/dbraw/zinc/92/50/11/754925011.db2.gz IXEFPQKRNMOZJQ-DOTOQJQBSA-N 1 1 339.403 0.905 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001028752584 754973200 /nfs/dbraw/zinc/97/32/00/754973200.db2.gz HGPKNTUCWMXLIV-NWDGAFQWSA-N 1 1 344.253 0.954 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001028752584 754973205 /nfs/dbraw/zinc/97/32/05/754973205.db2.gz HGPKNTUCWMXLIV-NWDGAFQWSA-N 1 1 344.253 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C)n1cccn1 ZINC001075706842 755171473 /nfs/dbraw/zinc/17/14/73/755171473.db2.gz YMVOYQNAUZTURZ-JYJNAYRXSA-N 1 1 345.447 0.553 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C)n1cccn1 ZINC001075706842 755171476 /nfs/dbraw/zinc/17/14/76/755171476.db2.gz YMVOYQNAUZTURZ-JYJNAYRXSA-N 1 1 345.447 0.553 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001028809689 755199721 /nfs/dbraw/zinc/19/97/21/755199721.db2.gz NMGCRCIBZBQZFR-ZACQAIPSSA-N 1 1 345.443 0.915 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083470285 755279894 /nfs/dbraw/zinc/27/98/94/755279894.db2.gz JGIORHQSSWBDLF-MKXGPGLRSA-N 1 1 342.439 0.991 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001028850706 755304258 /nfs/dbraw/zinc/30/42/58/755304258.db2.gz BIKSRUSOEMKWRZ-ZDUSSCGKSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001028851149 755308098 /nfs/dbraw/zinc/30/80/98/755308098.db2.gz GVZPBDANUMCRPX-AWEZNQCLSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CC3CCOCC3)C2)nn1 ZINC001028852305 755309562 /nfs/dbraw/zinc/30/95/62/755309562.db2.gz IUHYVCCKHGXKIE-HNNXBMFYSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)nn1 ZINC001028857026 755321818 /nfs/dbraw/zinc/32/18/18/755321818.db2.gz SPVRHLLSAGZRDW-ZDUSSCGKSA-N 1 1 344.423 0.235 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnnn3C)C2)nn1 ZINC001028857026 755321822 /nfs/dbraw/zinc/32/18/22/755321822.db2.gz SPVRHLLSAGZRDW-ZDUSSCGKSA-N 1 1 344.423 0.235 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001028857441 755322460 /nfs/dbraw/zinc/32/24/60/755322460.db2.gz IDZNEBBQQDIIJC-HIFRSBDPSA-N 1 1 346.435 0.137 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001028875601 755362934 /nfs/dbraw/zinc/36/29/34/755362934.db2.gz IQBZQABXQGTWTM-ZDUSSCGKSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001028875601 755362939 /nfs/dbraw/zinc/36/29/39/755362939.db2.gz IQBZQABXQGTWTM-ZDUSSCGKSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001028875601 755362943 /nfs/dbraw/zinc/36/29/43/755362943.db2.gz IQBZQABXQGTWTM-ZDUSSCGKSA-N 1 1 340.387 0.937 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccccn4c3=O)[C@@H]2C1 ZINC001075957709 755395484 /nfs/dbraw/zinc/39/54/84/755395484.db2.gz XAOUQUWMAXKZFJ-GOEBONIOSA-N 1 1 336.395 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001028899493 755430185 /nfs/dbraw/zinc/43/01/85/755430185.db2.gz KWHUUHOWFSQXAW-HUUCEWRRSA-N 1 1 331.420 0.390 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3oncc3C)C2)C1=O ZINC001028902908 755442160 /nfs/dbraw/zinc/44/21/60/755442160.db2.gz HYECNINCHGPJGD-UONOGXRCSA-N 1 1 332.404 0.822 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001028918246 755473856 /nfs/dbraw/zinc/47/38/56/755473856.db2.gz CLQFNGBDBQBMIV-ZDUSSCGKSA-N 1 1 332.404 0.444 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001075966348 755499783 /nfs/dbraw/zinc/49/97/83/755499783.db2.gz YSVCDUPKVVZMQR-UONOGXRCSA-N 1 1 340.855 0.046 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001075966348 755499786 /nfs/dbraw/zinc/49/97/86/755499786.db2.gz YSVCDUPKVVZMQR-UONOGXRCSA-N 1 1 340.855 0.046 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@H]12 ZINC000990667142 755589132 /nfs/dbraw/zinc/58/91/32/755589132.db2.gz ZEEDUYCNWWQLCW-QIIPPGSGSA-N 1 1 341.415 0.509 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1C ZINC001088769550 755621556 /nfs/dbraw/zinc/62/15/56/755621556.db2.gz QNQIAFXOJAMUPN-OLZOCXBDSA-N 1 1 327.388 0.547 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1C ZINC001088769550 755621560 /nfs/dbraw/zinc/62/15/60/755621560.db2.gz QNQIAFXOJAMUPN-OLZOCXBDSA-N 1 1 327.388 0.547 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@H]1C(C)C ZINC001105669024 755655604 /nfs/dbraw/zinc/65/56/04/755655604.db2.gz ORYUXBUEOXFJSH-AHCXZYCDSA-N 1 1 336.480 0.818 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)[C@@H](O)C1 ZINC001083489355 755677530 /nfs/dbraw/zinc/67/75/30/755677530.db2.gz ZUQDBTNOFQCODT-MNOVXSKESA-N 1 1 332.326 0.790 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)[C@@H](O)C1 ZINC001083489355 755677534 /nfs/dbraw/zinc/67/75/34/755677534.db2.gz ZUQDBTNOFQCODT-MNOVXSKESA-N 1 1 332.326 0.790 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc3c2cccc3OC)[C@@H](O)C1 ZINC001083496452 755707134 /nfs/dbraw/zinc/70/71/34/755707134.db2.gz WPDXPHIZCMGULL-OLZOCXBDSA-N 1 1 328.372 0.370 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3c2cccc3OC)[C@@H](O)C1 ZINC001083496452 755707139 /nfs/dbraw/zinc/70/71/39/755707139.db2.gz WPDXPHIZCMGULL-OLZOCXBDSA-N 1 1 328.372 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)COC)CC(C)(C)C1 ZINC000990721113 755753963 /nfs/dbraw/zinc/75/39/63/755753963.db2.gz WRQOFWBEQWXREX-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)COC)CC(C)(C)C1 ZINC000990721113 755753966 /nfs/dbraw/zinc/75/39/66/755753966.db2.gz WRQOFWBEQWXREX-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CNC(C)=O)CC1 ZINC001105672893 755789000 /nfs/dbraw/zinc/78/90/00/755789000.db2.gz DQXQYLPTOGMYJH-HDICACEKSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 ZINC001105674527 755810141 /nfs/dbraw/zinc/81/01/41/755810141.db2.gz YRNJMWBKPIECEM-OLMNPRSZSA-N 1 1 348.491 0.837 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2ccccc2)[C@@H](O)C1 ZINC001083514168 755823530 /nfs/dbraw/zinc/82/35/30/755823530.db2.gz QWICTIWLMYFGRG-SQNIBIBYSA-N 1 1 327.428 0.840 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2ccccc2)[C@@H](O)C1 ZINC001083514168 755823536 /nfs/dbraw/zinc/82/35/36/755823536.db2.gz QWICTIWLMYFGRG-SQNIBIBYSA-N 1 1 327.428 0.840 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001010224293 755838724 /nfs/dbraw/zinc/83/87/24/755838724.db2.gz XOXUBMIEPZUHNQ-HIFRSBDPSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001010224293 755838727 /nfs/dbraw/zinc/83/87/27/755838727.db2.gz XOXUBMIEPZUHNQ-HIFRSBDPSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cccc(C)n3)C2)C1=O ZINC001010230933 755846946 /nfs/dbraw/zinc/84/69/46/755846946.db2.gz XJNPAQQTPHANSH-HOCLYGCPSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cccc(C)n3)C2)C1=O ZINC001010230933 755846949 /nfs/dbraw/zinc/84/69/49/755846949.db2.gz XJNPAQQTPHANSH-HOCLYGCPSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083526223 755921687 /nfs/dbraw/zinc/92/16/87/755921687.db2.gz HPUIFPIFAGKYSH-ZBFHGGJFSA-N 1 1 329.404 0.346 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083526223 755921692 /nfs/dbraw/zinc/92/16/92/755921692.db2.gz HPUIFPIFAGKYSH-ZBFHGGJFSA-N 1 1 329.404 0.346 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)[C@@H](O)C1 ZINC001083531498 755952491 /nfs/dbraw/zinc/95/24/91/755952491.db2.gz QQVPKJZEJZAALS-BBWFWOEESA-N 1 1 343.427 0.641 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001010293596 755953515 /nfs/dbraw/zinc/95/35/15/755953515.db2.gz NZDYJCHDTQTEET-DZGCQCFKSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001010293596 755953518 /nfs/dbraw/zinc/95/35/18/755953518.db2.gz NZDYJCHDTQTEET-DZGCQCFKSA-N 1 1 331.420 0.563 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088828939 755962788 /nfs/dbraw/zinc/96/27/88/755962788.db2.gz YQXLPIROTFBPEG-WKPIXPDZSA-N 1 1 345.378 0.458 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088828939 755962790 /nfs/dbraw/zinc/96/27/90/755962790.db2.gz YQXLPIROTFBPEG-WKPIXPDZSA-N 1 1 345.378 0.458 20 30 ECEDMO COc1ccc(C[NH2+]CCNC(=O)Cc2n[nH]c(C)n2)cc1C#N ZINC001126912349 755967990 /nfs/dbraw/zinc/96/79/90/755967990.db2.gz KXARQNZXKMETIH-UHFFFAOYSA-N 1 1 328.376 0.442 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC001105680052 755982358 /nfs/dbraw/zinc/98/23/58/755982358.db2.gz QVJJIVOZJVEMFG-CALCHBBNSA-N 1 1 348.491 0.790 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cncn3)cc2)[C@@H](O)C1 ZINC001083539024 756024341 /nfs/dbraw/zinc/02/43/41/756024341.db2.gz DCWWMTVHGPGTCW-CVEARBPZSA-N 1 1 327.388 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001076073846 756058769 /nfs/dbraw/zinc/05/87/69/756058769.db2.gz DEBHSBRLSPGOAI-BBRMVZONSA-N 1 1 341.415 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001076073846 756058776 /nfs/dbraw/zinc/05/87/76/756058776.db2.gz DEBHSBRLSPGOAI-BBRMVZONSA-N 1 1 341.415 0.609 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(C)nn4C3)[C@@H]2C1 ZINC001076079212 756069035 /nfs/dbraw/zinc/06/90/35/756069035.db2.gz JYZFYTHHHJWZKO-ARFHVFGLSA-N 1 1 327.432 0.705 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001010388513 756073348 /nfs/dbraw/zinc/07/33/48/756073348.db2.gz SCRJEQBXAPSMPE-UKRRQHHQSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001010388513 756073355 /nfs/dbraw/zinc/07/33/55/756073355.db2.gz SCRJEQBXAPSMPE-UKRRQHHQSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001010395674 756080233 /nfs/dbraw/zinc/08/02/33/756080233.db2.gz CTEMMEFFMJBHQT-CABCVRRESA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001010395674 756080237 /nfs/dbraw/zinc/08/02/37/756080237.db2.gz CTEMMEFFMJBHQT-CABCVRRESA-N 1 1 331.420 0.494 20 30 ECEDMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001076193437 756186249 /nfs/dbraw/zinc/18/62/49/756186249.db2.gz JNWCFHIHXODRJK-DZGCQCFKSA-N 1 1 331.803 0.710 20 30 ECEDMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001076193437 756186254 /nfs/dbraw/zinc/18/62/54/756186254.db2.gz JNWCFHIHXODRJK-DZGCQCFKSA-N 1 1 331.803 0.710 20 30 ECEDMO C#CCCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001076211592 756204354 /nfs/dbraw/zinc/20/43/54/756204354.db2.gz NMAMMZIHTOSOAT-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CCCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001076211592 756204357 /nfs/dbraw/zinc/20/43/57/756204357.db2.gz NMAMMZIHTOSOAT-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)c1 ZINC001076223388 756234657 /nfs/dbraw/zinc/23/46/57/756234657.db2.gz WUJJKYOXOOEHKU-DOTOQJQBSA-N 1 1 338.411 0.442 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)c1 ZINC001076223388 756234662 /nfs/dbraw/zinc/23/46/62/756234662.db2.gz WUJJKYOXOOEHKU-DOTOQJQBSA-N 1 1 338.411 0.442 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)[C@@H]2C1 ZINC001076244081 756274615 /nfs/dbraw/zinc/27/46/15/756274615.db2.gz LWRULIJUXQKQRU-GOEBONIOSA-N 1 1 342.443 0.693 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)s1 ZINC001051608762 762457032 /nfs/dbraw/zinc/45/70/32/762457032.db2.gz JBQRFXAWDRVRES-ZDUSSCGKSA-N 1 1 334.445 0.831 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cncs3)[C@@H](O)C2)c1 ZINC001083546600 756389112 /nfs/dbraw/zinc/38/91/12/756389112.db2.gz WHAKZDYJNBYUDU-CVEARBPZSA-N 1 1 342.424 0.919 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)Cc3cncs3)[C@@H](O)C2)c1 ZINC001083546600 756389118 /nfs/dbraw/zinc/38/91/18/756389118.db2.gz WHAKZDYJNBYUDU-CVEARBPZSA-N 1 1 342.424 0.919 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010696949 756411431 /nfs/dbraw/zinc/41/14/31/756411431.db2.gz UNNRPFWEGVLUDZ-RDJZCZTQSA-N 1 1 346.406 0.718 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010696949 756411434 /nfs/dbraw/zinc/41/14/34/756411434.db2.gz UNNRPFWEGVLUDZ-RDJZCZTQSA-N 1 1 346.406 0.718 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)cc1 ZINC001010699545 756415295 /nfs/dbraw/zinc/41/52/95/756415295.db2.gz VELSWPZRJUYGFT-AWEZNQCLSA-N 1 1 326.360 0.246 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001076415081 756486746 /nfs/dbraw/zinc/48/67/46/756486746.db2.gz XTXIJRIZSQPXBH-JKSUJKDBSA-N 1 1 337.464 0.766 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001076415081 756486748 /nfs/dbraw/zinc/48/67/48/756486748.db2.gz XTXIJRIZSQPXBH-JKSUJKDBSA-N 1 1 337.464 0.766 20 30 ECEDMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001010824437 756571860 /nfs/dbraw/zinc/57/18/60/756571860.db2.gz SYZCDSMGQFGRCZ-CQSZACIVSA-N 1 1 340.387 0.722 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001076500663 756584791 /nfs/dbraw/zinc/58/47/91/756584791.db2.gz JZPGGJUASRXSHD-XOKHGSTOSA-N 1 1 325.412 0.617 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001076500663 756584796 /nfs/dbraw/zinc/58/47/96/756584796.db2.gz JZPGGJUASRXSHD-XOKHGSTOSA-N 1 1 325.412 0.617 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC(F)(F)F)n2)[C@@H](O)C1 ZINC001083549254 756603916 /nfs/dbraw/zinc/60/39/16/756603916.db2.gz YNQAGYASJYNZEA-NEPJUHHUSA-N 1 1 332.326 0.796 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076581905 756684099 /nfs/dbraw/zinc/68/40/99/756684099.db2.gz CIJJALVJAUMHFR-MELADBBJSA-N 1 1 327.450 0.177 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)c1 ZINC001076700888 756876745 /nfs/dbraw/zinc/87/67/45/756876745.db2.gz ZZAGHXDERCZMLO-HUUCEWRRSA-N 1 1 329.356 0.108 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)c1 ZINC001076700888 756876751 /nfs/dbraw/zinc/87/67/51/756876751.db2.gz ZZAGHXDERCZMLO-HUUCEWRRSA-N 1 1 329.356 0.108 20 30 ECEDMO C[C@@H](c1nncn1C)[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771868 756945607 /nfs/dbraw/zinc/94/56/07/756945607.db2.gz QAHWPOLQFXCGLI-RWMBFGLXSA-N 1 1 339.403 0.780 20 30 ECEDMO C[C@@H](c1nncn1C)[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771868 756945609 /nfs/dbraw/zinc/94/56/09/756945609.db2.gz QAHWPOLQFXCGLI-RWMBFGLXSA-N 1 1 339.403 0.780 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@H]3C2)c[nH]1 ZINC001048779210 756966047 /nfs/dbraw/zinc/96/60/47/756966047.db2.gz QKPMAMIPBQUKKM-GASCZTMLSA-N 1 1 341.415 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC001011142163 757014773 /nfs/dbraw/zinc/01/47/73/757014773.db2.gz PKXYXBIHJGCGLX-CVEARBPZSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC001011142163 757014777 /nfs/dbraw/zinc/01/47/77/757014777.db2.gz PKXYXBIHJGCGLX-CVEARBPZSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCC1 ZINC001076770140 757032140 /nfs/dbraw/zinc/03/21/40/757032140.db2.gz IIDFXPQCRIMMFC-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCC1 ZINC001076770140 757032150 /nfs/dbraw/zinc/03/21/50/757032150.db2.gz IIDFXPQCRIMMFC-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001011160960 757073626 /nfs/dbraw/zinc/07/36/26/757073626.db2.gz YWDUSEFCTFWXFE-CQSZACIVSA-N 1 1 346.435 0.090 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@H]2C1 ZINC001048818205 757096123 /nfs/dbraw/zinc/09/61/23/757096123.db2.gz IFNBLPWNNLHPOL-SOUVJXGZSA-N 1 1 343.431 0.729 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3ccnn3C)nn2)C1 ZINC001107165373 757179003 /nfs/dbraw/zinc/17/90/03/757179003.db2.gz UXAAFGFCVDKLGZ-UHFFFAOYSA-N 1 1 329.408 0.303 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001011201429 757179805 /nfs/dbraw/zinc/17/98/05/757179805.db2.gz SVWLJKYSPHGWGG-RYRKJORJSA-N 1 1 349.475 0.980 20 30 ECEDMO CC(C)C#CC(=O)NCc1cn(C2C[NH+](CC[C@@H]3CCCO3)C2)nn1 ZINC001107169555 757206801 /nfs/dbraw/zinc/20/68/01/757206801.db2.gz NXGXCAGGKPQODR-KRWDZBQOSA-N 1 1 345.447 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3cnn(C)n3)C(C)(C)C2)c1 ZINC000996273023 757219913 /nfs/dbraw/zinc/21/99/13/757219913.db2.gz JQXCYNHMVZMWFW-INIZCTEOSA-N 1 1 338.415 0.832 20 30 ECEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1O ZINC001048866710 757229414 /nfs/dbraw/zinc/22/94/14/757229414.db2.gz WITZFYUGCRUQKL-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@]3(C4CCCC4)CCNC3=O)C[C@H]2C1 ZINC001048872251 757246744 /nfs/dbraw/zinc/24/67/44/757246744.db2.gz AAXHZVNXTNODFP-KHYOSLBOSA-N 1 1 329.444 0.706 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001048874246 757253031 /nfs/dbraw/zinc/25/30/31/757253031.db2.gz UQHACDWNKITKMY-ILXRZTDVSA-N 1 1 337.464 0.571 20 30 ECEDMO CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048875061 757255669 /nfs/dbraw/zinc/25/56/69/757255669.db2.gz HOPBFVFQRXQHIM-CALCHBBNSA-N 1 1 339.439 0.940 20 30 ECEDMO C=CCN1CC(n2cc(CNC(=O)CC[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107180432 757301175 /nfs/dbraw/zinc/30/11/75/757301175.db2.gz RLPIJHXUDIJBSA-OAHLLOKOSA-N 1 1 332.452 0.811 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107180546 757301224 /nfs/dbraw/zinc/30/12/24/757301224.db2.gz YOJYMCBWIZNJAN-INIZCTEOSA-N 1 1 344.463 0.649 20 30 ECEDMO C#Cc1cncc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)NC)c1 ZINC001021377154 757364064 /nfs/dbraw/zinc/36/40/64/757364064.db2.gz WMYCASKWDJBNAU-FCLXEUQJSA-N 1 1 340.427 0.923 20 30 ECEDMO Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001076856051 757400035 /nfs/dbraw/zinc/40/00/35/757400035.db2.gz YVPGERXMLXIXTQ-HUUCEWRRSA-N 1 1 345.428 0.669 20 30 ECEDMO Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001076856051 757400043 /nfs/dbraw/zinc/40/00/43/757400043.db2.gz YVPGERXMLXIXTQ-HUUCEWRRSA-N 1 1 345.428 0.669 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001048919910 757412730 /nfs/dbraw/zinc/41/27/30/757412730.db2.gz BXOQOMSWCIGBOM-WCVJEAGWSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](OC)[C@@H]3CCOC3)nn2)C1 ZINC001107189764 757427746 /nfs/dbraw/zinc/42/77/46/757427746.db2.gz HKRAPMLKHBNCFN-CJNGLKHVSA-N 1 1 349.435 0.379 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)[nH]1 ZINC001076898622 757518516 /nfs/dbraw/zinc/51/85/16/757518516.db2.gz RXSOGCCNCDXFCD-IAGOWNOFSA-N 1 1 346.431 0.868 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cncc(-n4ccnn4)c3)C[C@H]2C1 ZINC001048961276 757526353 /nfs/dbraw/zinc/52/63/53/757526353.db2.gz XRWQAKAEZVIRPJ-IYBDPMFKSA-N 1 1 336.399 0.689 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001105900351 762558952 /nfs/dbraw/zinc/55/89/52/762558952.db2.gz KIDODINOEOPSDN-INIZCTEOSA-N 1 1 342.403 0.828 20 30 ECEDMO CCc1nc(C#N)cc(NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001107199450 757587131 /nfs/dbraw/zinc/58/71/31/757587131.db2.gz CYIZEZJIAIIRGI-DSYXLKISSA-N 1 1 328.420 0.947 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3cncnc3)nn2)C1 ZINC001107199825 757587838 /nfs/dbraw/zinc/58/78/38/757587838.db2.gz PSAXEHVGSUBQKH-ZDUSSCGKSA-N 1 1 341.419 0.921 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC001021557228 757597786 /nfs/dbraw/zinc/59/77/86/757597786.db2.gz FAVXAFHLCHEERV-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2nc(C)cc(C#N)n2)C1 ZINC001107210539 757692456 /nfs/dbraw/zinc/69/24/56/757692456.db2.gz LXNGVXALEMTUGD-MBVDDHJVSA-N 1 1 344.419 0.462 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2nc(C)cc(C#N)n2)C1 ZINC001107210539 757692464 /nfs/dbraw/zinc/69/24/64/757692464.db2.gz LXNGVXALEMTUGD-MBVDDHJVSA-N 1 1 344.419 0.462 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ccc(C#N)cn2)C1 ZINC001107211789 757703141 /nfs/dbraw/zinc/70/31/41/757703141.db2.gz ZEDXIYIOZDATFK-BWPKMQGJSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ccc(C#N)cn2)C1 ZINC001107211789 757703148 /nfs/dbraw/zinc/70/31/48/757703148.db2.gz ZEDXIYIOZDATFK-BWPKMQGJSA-N 1 1 329.404 0.758 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 ZINC001021626725 757706792 /nfs/dbraw/zinc/70/67/92/757706792.db2.gz HQWHCOHIDPCNFL-CVEARBPZSA-N 1 1 345.443 0.862 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 ZINC001021627881 757708462 /nfs/dbraw/zinc/70/84/62/757708462.db2.gz QKIKOIXTPQBLBI-HZPDHXFCSA-N 1 1 345.443 0.862 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001021634775 757717036 /nfs/dbraw/zinc/71/70/36/757717036.db2.gz FBOWCHAXCOJSIA-CJNGLKHVSA-N 1 1 338.415 0.923 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001021634776 757717777 /nfs/dbraw/zinc/71/77/77/757717777.db2.gz FBOWCHAXCOJSIA-CZUORRHYSA-N 1 1 338.415 0.923 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021663143 757757143 /nfs/dbraw/zinc/75/71/43/757757143.db2.gz ZWOASIOCRPBQOX-WDEREUQCSA-N 1 1 330.226 0.693 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021663143 757757145 /nfs/dbraw/zinc/75/71/45/757757145.db2.gz ZWOASIOCRPBQOX-WDEREUQCSA-N 1 1 330.226 0.693 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C[C@H]2C1 ZINC001049053888 757789537 /nfs/dbraw/zinc/78/95/37/757789537.db2.gz IDSOZEODZPBSGM-TWMKSMIVSA-N 1 1 347.459 0.733 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cn3nccc3C)nn2)C1 ZINC001107215431 757792472 /nfs/dbraw/zinc/79/24/72/757792472.db2.gz HAGXDVGITMRYRP-UHFFFAOYSA-N 1 1 329.408 0.532 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2C[NH+](CCCOC)C2)nn1 ZINC001107211839 757799281 /nfs/dbraw/zinc/79/92/81/757799281.db2.gz AFNJRGMYWFZSFH-CVEARBPZSA-N 1 1 349.435 0.379 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]32)cn1 ZINC001021717932 757857353 /nfs/dbraw/zinc/85/73/53/757857353.db2.gz SQOLPWBQBGBEFV-ZBFHGGJFSA-N 1 1 326.400 0.475 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(=O)n(C)n2)C1 ZINC001021728596 757870682 /nfs/dbraw/zinc/87/06/82/757870682.db2.gz UWGQOLGIQXXWCZ-GOEBONIOSA-N 1 1 328.416 0.730 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cncc(C(N)=O)c2)C1 ZINC001021738877 757886977 /nfs/dbraw/zinc/88/69/77/757886977.db2.gz CQICUCANNGNALP-CJNGLKHVSA-N 1 1 326.400 0.740 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3cn(C)nn3)C(C)(C)C2)nc1 ZINC000996528197 757894730 /nfs/dbraw/zinc/89/47/30/757894730.db2.gz MPAHBIXVRPOHLR-INIZCTEOSA-N 1 1 338.415 0.832 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccnnc4)C[C@H]3C2)C1=O ZINC001049079277 757905000 /nfs/dbraw/zinc/90/50/00/757905000.db2.gz WCFLGCYQPFVCAJ-XHSDSOJGSA-N 1 1 341.415 0.267 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001049104692 757968609 /nfs/dbraw/zinc/96/86/09/757968609.db2.gz REZOADTXOHJVIP-QMHWVQJVSA-N 1 1 335.448 0.622 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001077027138 757982340 /nfs/dbraw/zinc/98/23/40/757982340.db2.gz CZEQTELJDSOQST-BZUAXINKSA-N 1 1 333.436 0.527 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001077027138 757982345 /nfs/dbraw/zinc/98/23/45/757982345.db2.gz CZEQTELJDSOQST-BZUAXINKSA-N 1 1 333.436 0.527 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049111528 757988128 /nfs/dbraw/zinc/98/81/28/757988128.db2.gz LVVLSCWWHTYAPV-JYJNAYRXSA-N 1 1 349.475 0.408 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001049112006 757990642 /nfs/dbraw/zinc/99/06/42/757990642.db2.gz YECBALKDQAWTPT-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cn3ccccc3=O)nn2)C1 ZINC001107234432 758016349 /nfs/dbraw/zinc/01/63/49/758016349.db2.gz BAPOITFLFMDJTI-UHFFFAOYSA-N 1 1 342.403 0.189 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001077062785 758068992 /nfs/dbraw/zinc/06/89/92/758068992.db2.gz KEKJKCABUQERHW-HNNXBMFYSA-N 1 1 341.452 0.312 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001077064127 758071588 /nfs/dbraw/zinc/07/15/88/758071588.db2.gz SBLDNVPCJUSPOS-CABCVRRESA-N 1 1 325.453 0.932 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21)C1CCC1 ZINC001021939386 758085798 /nfs/dbraw/zinc/08/57/98/758085798.db2.gz IOJNWKZFQDCVCL-DOTOQJQBSA-N 1 1 329.444 0.943 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001077071027 758089772 /nfs/dbraw/zinc/08/97/72/758089772.db2.gz DGWNBNVZQNZBDA-CHWSQXEVSA-N 1 1 330.388 0.923 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(Br)c2)C1 ZINC001077090027 758136123 /nfs/dbraw/zinc/13/61/23/758136123.db2.gz QDGYCXQPTSDMCB-GHMZBOCLSA-N 1 1 327.178 0.840 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(Br)c2)C1 ZINC001077090027 758136132 /nfs/dbraw/zinc/13/61/32/758136132.db2.gz QDGYCXQPTSDMCB-GHMZBOCLSA-N 1 1 327.178 0.840 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC001049154914 758152876 /nfs/dbraw/zinc/15/28/76/758152876.db2.gz RFCJREVSQYZDMU-OKILXGFUSA-N 1 1 334.420 0.285 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001077089115 758156561 /nfs/dbraw/zinc/15/65/61/758156561.db2.gz UQQFXTLMJJQSFA-HZPDHXFCSA-N 1 1 347.415 0.292 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)C[C@H]2C1 ZINC001049161427 758177202 /nfs/dbraw/zinc/17/72/02/758177202.db2.gz JTMGFELUDCNLOV-OKILXGFUSA-N 1 1 329.404 0.267 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001077110076 758196014 /nfs/dbraw/zinc/19/60/14/758196014.db2.gz ACPJODAPUJPIHN-FGTMMUONSA-N 1 1 327.428 0.840 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(C)n[nH]3)CCC[C@@H]12 ZINC001107300641 758202526 /nfs/dbraw/zinc/20/25/26/758202526.db2.gz YXVGATSNQCMHDQ-CRAIPNDOSA-N 1 1 345.447 0.995 20 30 ECEDMO Cn1cc(C[N@@H+]2CC[C@@]3(CNC(=O)CSCC#N)CCC[C@@H]23)nn1 ZINC001107291145 758208781 /nfs/dbraw/zinc/20/87/81/758208781.db2.gz LJDJJJBZKYYKOX-GDBMZVCRSA-N 1 1 348.476 0.933 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@@]3(CNC(=O)CSCC#N)CCC[C@@H]23)nn1 ZINC001107291145 758208791 /nfs/dbraw/zinc/20/87/91/758208791.db2.gz LJDJJJBZKYYKOX-GDBMZVCRSA-N 1 1 348.476 0.933 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)SC)C[C@]2(C)C1 ZINC001101137680 758216251 /nfs/dbraw/zinc/21/62/51/758216251.db2.gz KWJMVGHCOKZSDW-ZENOOKHLSA-N 1 1 325.478 0.820 20 30 ECEDMO N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001022063686 758225878 /nfs/dbraw/zinc/22/58/78/758225878.db2.gz GXHLGQOLMAWJJQ-OCVGTWLNSA-N 1 1 344.371 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H]1COC(=O)C1 ZINC001077123909 758251721 /nfs/dbraw/zinc/25/17/21/758251721.db2.gz FUEVPZYIASUKJA-KKUMJFAQSA-N 1 1 349.431 0.048 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H]1COC(=O)C1 ZINC001077123909 758251724 /nfs/dbraw/zinc/25/17/24/758251724.db2.gz FUEVPZYIASUKJA-KKUMJFAQSA-N 1 1 349.431 0.048 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nocc1C ZINC001077124878 758286017 /nfs/dbraw/zinc/28/60/17/758286017.db2.gz HQLUPXFNOSIJPG-KBPBESRZSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nocc1C ZINC001077124878 758286025 /nfs/dbraw/zinc/28/60/25/758286025.db2.gz HQLUPXFNOSIJPG-KBPBESRZSA-N 1 1 332.404 0.705 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)COc3ccc(C(N)=O)cc3)C[C@H]2C1 ZINC001049222047 758367730 /nfs/dbraw/zinc/36/77/30/758367730.db2.gz QYNOZMIXPMGBSO-IYBDPMFKSA-N 1 1 341.411 0.578 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[C@H](C)OC)CCC[C@@H]12 ZINC001107372231 758394873 /nfs/dbraw/zinc/39/48/73/758394873.db2.gz VJGAGEIUMOLIRF-FRQCXROJSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCOC)CC2 ZINC001107373940 758398691 /nfs/dbraw/zinc/39/86/91/758398691.db2.gz GTRVHJBDTXUKNI-VQIMIIECSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@H](C)OC)C[C@@H]3C2)CC1 ZINC001049234402 758401580 /nfs/dbraw/zinc/40/15/80/758401580.db2.gz DSUWGHLPSZUBAH-RYQLBKOJSA-N 1 1 333.476 0.757 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@H](C)OC)C[C@@H]3C2)CC1 ZINC001049234402 758401589 /nfs/dbraw/zinc/40/15/89/758401589.db2.gz DSUWGHLPSZUBAH-RYQLBKOJSA-N 1 1 333.476 0.757 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(OC)ccc2OC)C1 ZINC001077171699 758424995 /nfs/dbraw/zinc/42/49/95/758424995.db2.gz PARCHGBTZLMICV-HZPDHXFCSA-N 1 1 334.416 0.984 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001014407054 762622657 /nfs/dbraw/zinc/62/26/57/762622657.db2.gz MAXFEXMVZIHSBX-KGLIPLIRSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001014407054 762622662 /nfs/dbraw/zinc/62/26/62/762622662.db2.gz MAXFEXMVZIHSBX-KGLIPLIRSA-N 1 1 331.420 0.320 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC3(O)CCC3)CCC[C@@H]12 ZINC001107395766 758456572 /nfs/dbraw/zinc/45/65/72/758456572.db2.gz NKDKEADETJIESW-CRAIPNDOSA-N 1 1 347.459 0.402 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(OC)c2C)C1 ZINC001077196744 758459464 /nfs/dbraw/zinc/45/94/64/758459464.db2.gz IYTVYJPOWIHETP-HUUCEWRRSA-N 1 1 332.400 0.810 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(OC)c2C)C1 ZINC001077196744 758459470 /nfs/dbraw/zinc/45/94/70/758459470.db2.gz IYTVYJPOWIHETP-HUUCEWRRSA-N 1 1 332.400 0.810 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)OCC#C)CCC[C@@H]12 ZINC001107402943 758472971 /nfs/dbraw/zinc/47/29/71/758472971.db2.gz UYCGGIIPCDGPBH-GPMSIDNRSA-N 1 1 345.443 0.135 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107404959 758482394 /nfs/dbraw/zinc/48/23/94/758482394.db2.gz XYQMIZOPHLJBKP-CRAIPNDOSA-N 1 1 346.431 0.027 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NS(=O)(=O)CC)CCC[C@@H]12 ZINC001107414721 758531009 /nfs/dbraw/zinc/53/10/09/758531009.db2.gz RFHLJJRLDLHSJY-IIAWOOMASA-N 1 1 341.477 0.308 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCNC(=O)COC)CCC[C@@H]12 ZINC001107426221 758535733 /nfs/dbraw/zinc/53/57/33/758535733.db2.gz JVLMKUYVWYVTAQ-CRAIPNDOSA-N 1 1 335.448 0.523 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2cn[nH]c2)C1=O ZINC001049339928 758536058 /nfs/dbraw/zinc/53/60/58/758536058.db2.gz GZMJCASWZREURD-PMPSAXMXSA-N 1 1 343.431 0.876 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001077217775 758540062 /nfs/dbraw/zinc/54/00/62/758540062.db2.gz DUZJZFYQRWOHFA-UMVBOHGHSA-N 1 1 334.420 0.195 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC001107438843 758567841 /nfs/dbraw/zinc/56/78/41/758567841.db2.gz KJBPLSUTHPDDKJ-CRAIPNDOSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@@H]12 ZINC001107449319 758589266 /nfs/dbraw/zinc/58/92/66/758589266.db2.gz DYVSSKFLPLBYTG-VQIMIIECSA-N 1 1 340.427 0.717 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC/C=C\CNc2ccnc(C#N)n2)CC[N@H+]1C ZINC001107465773 758622747 /nfs/dbraw/zinc/62/27/47/758622747.db2.gz LUQFZIBGHKTDKK-NMEQGOOXSA-N 1 1 328.420 0.585 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)C1 ZINC001107465470 758622797 /nfs/dbraw/zinc/62/27/97/758622797.db2.gz CBAZWZUJCIYHIX-NHZBNJEXSA-N 1 1 344.419 0.542 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001077265895 758643031 /nfs/dbraw/zinc/64/30/31/758643031.db2.gz MKBPFRKQGKOGAA-ZIAGYGMSSA-N 1 1 327.388 0.144 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077275241 758666574 /nfs/dbraw/zinc/66/65/74/758666574.db2.gz XGCIRAGVTLMLQR-CHWSQXEVSA-N 1 1 328.800 0.264 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]c(C#N)c1 ZINC001049425034 758668414 /nfs/dbraw/zinc/66/84/14/758668414.db2.gz KDCAWRZETJFALH-CABCVRRESA-N 1 1 329.404 0.653 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)N2CCC2)[nH]1 ZINC001049424820 758668423 /nfs/dbraw/zinc/66/84/23/758668423.db2.gz HTXNWEKDHYNBQO-CVEARBPZSA-N 1 1 341.415 0.798 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(-c3ccccn3)n2)C1 ZINC001077300887 758746209 /nfs/dbraw/zinc/74/62/09/758746209.db2.gz VYLVPDMQQGNHCC-UKRRQHHQSA-N 1 1 326.356 0.535 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(-c3ccccn3)n2)C1 ZINC001077300887 758746215 /nfs/dbraw/zinc/74/62/15/758746215.db2.gz VYLVPDMQQGNHCC-UKRRQHHQSA-N 1 1 326.356 0.535 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCNC3=O)CCC[C@@H]12 ZINC001107494857 758749785 /nfs/dbraw/zinc/74/97/85/758749785.db2.gz CUTDBNKVUUZJOY-HDMKZQKVSA-N 1 1 335.448 0.686 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001049505723 758820393 /nfs/dbraw/zinc/82/03/93/758820393.db2.gz RTONKYAIEQUKDK-GVDBMIGSSA-N 1 1 347.459 0.570 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)ccc1F ZINC001014428915 762665807 /nfs/dbraw/zinc/66/58/07/762665807.db2.gz MZILNUHJYAAPMA-CYBMUJFWSA-N 1 1 329.339 0.075 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)ccc1F ZINC001014428915 762665812 /nfs/dbraw/zinc/66/58/12/762665812.db2.gz MZILNUHJYAAPMA-CYBMUJFWSA-N 1 1 329.339 0.075 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC001011905568 758915153 /nfs/dbraw/zinc/91/51/53/758915153.db2.gz VGYOWHILSXNEPD-GXTWGEPZSA-N 1 1 340.387 0.811 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(OC)ccnc2OC)C1 ZINC001077371355 758926113 /nfs/dbraw/zinc/92/61/13/758926113.db2.gz IPHKXFBFDBAOGT-CHWSQXEVSA-N 1 1 335.404 0.840 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2cn[nH]n2)C1=O ZINC001049572170 758943346 /nfs/dbraw/zinc/94/33/46/758943346.db2.gz XURXVNHETDMCHP-KFWWJZLASA-N 1 1 344.419 0.271 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)c1 ZINC001022685613 758998403 /nfs/dbraw/zinc/99/84/03/758998403.db2.gz UZPQJPVECITMBD-LEWSCRJBSA-N 1 1 325.376 0.198 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)Cn2c[nH+]cc2C)cn1 ZINC001077421968 759031764 /nfs/dbraw/zinc/03/17/64/759031764.db2.gz BUHWRQXARDLQJS-ZDUSSCGKSA-N 1 1 339.399 0.893 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001049680703 759083698 /nfs/dbraw/zinc/08/36/98/759083698.db2.gz RAONJRGSXDDJPZ-VNQPRFMTSA-N 1 1 327.432 0.619 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nncs3)C2)nn1 ZINC001022836052 759156160 /nfs/dbraw/zinc/15/61/60/759156160.db2.gz RTBDQSOULYEFKY-PHIMTYICSA-N 1 1 333.421 0.756 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001049780522 759197758 /nfs/dbraw/zinc/19/77/58/759197758.db2.gz ICIBHRKATDWJQP-ZNMIVQPWSA-N 1 1 341.477 0.662 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c(C)cc(C)nc1=O ZINC001049813594 759244951 /nfs/dbraw/zinc/24/49/51/759244951.db2.gz GPTJLNOOYDPKII-IAGOWNOFSA-N 1 1 342.443 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(N2CCOCC2)CCC1 ZINC001049829943 759265042 /nfs/dbraw/zinc/26/50/42/759265042.db2.gz VBEOWNRPPCVBIH-DLBZAZTESA-N 1 1 331.460 0.940 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CNC(C)=O)cc2)[C@@H](O)C1 ZINC001083612896 759299421 /nfs/dbraw/zinc/29/94/21/759299421.db2.gz RBDDBGRVSIRLJP-SJORKVTESA-N 1 1 331.416 0.674 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049853259 759304743 /nfs/dbraw/zinc/30/47/43/759304743.db2.gz BMWMMDYTZKSACG-CVEARBPZSA-N 1 1 329.400 0.765 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001049869180 759321669 /nfs/dbraw/zinc/32/16/69/759321669.db2.gz DKQPZXUDZLSTBC-ZACQAIPSSA-N 1 1 333.432 0.322 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O ZINC001049870705 759323601 /nfs/dbraw/zinc/32/36/01/759323601.db2.gz NHSQHLPIUVYQDE-CABCVRRESA-N 1 1 333.436 0.532 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049871786 759324701 /nfs/dbraw/zinc/32/47/01/759324701.db2.gz NWYWQPUSKSGPQI-ZIAGYGMSSA-N 1 1 348.447 0.958 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O ZINC001049871867 759325126 /nfs/dbraw/zinc/32/51/26/759325126.db2.gz SQOMWOJCTZWQCF-GJZGRUSLSA-N 1 1 333.436 0.532 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 ZINC001022934535 759332314 /nfs/dbraw/zinc/33/23/14/759332314.db2.gz HBOQTJNBDREPIS-IXDOHACOSA-N 1 1 341.411 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 ZINC001022934535 759332324 /nfs/dbraw/zinc/33/23/24/759332324.db2.gz HBOQTJNBDREPIS-IXDOHACOSA-N 1 1 341.411 0.086 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1NC(=O)NC1=O ZINC001049886302 759349795 /nfs/dbraw/zinc/34/97/95/759349795.db2.gz SNLKHJQQUQGDDU-MGPQQGTHSA-N 1 1 332.404 0.063 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049886379 759350154 /nfs/dbraw/zinc/35/01/54/759350154.db2.gz TXSGTUOUMNUQBY-KBPBESRZSA-N 1 1 330.388 0.188 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4ccn[nH]4)[C@@H]3C2)C1=O ZINC001049981183 759489943 /nfs/dbraw/zinc/48/99/43/759489943.db2.gz WGEBLQVHTSUCFC-CWRNSKLLSA-N 1 1 343.431 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCCN(C(=O)c4cc[nH]n4)[C@@H]3C2)C1=O ZINC001049981183 759489945 /nfs/dbraw/zinc/48/99/45/759489945.db2.gz WGEBLQVHTSUCFC-CWRNSKLLSA-N 1 1 343.431 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cc[nH]n4)[C@@H]3C2)C1=O ZINC001049981183 759489946 /nfs/dbraw/zinc/48/99/46/759489946.db2.gz WGEBLQVHTSUCFC-CWRNSKLLSA-N 1 1 343.431 0.733 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001049995027 759515679 /nfs/dbraw/zinc/51/56/79/759515679.db2.gz FSHBBSAFRGEMTO-MELADBBJSA-N 1 1 347.419 0.011 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001050063401 759642083 /nfs/dbraw/zinc/64/20/83/759642083.db2.gz KJDOLJJNUKNYGJ-GOEBONIOSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001050063401 759642089 /nfs/dbraw/zinc/64/20/89/759642089.db2.gz KJDOLJJNUKNYGJ-GOEBONIOSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2CN(CCc3cnn(C)c3)C2)CC1 ZINC001032207373 759642670 /nfs/dbraw/zinc/64/26/70/759642670.db2.gz OQGOYXFWFQWZSP-UHFFFAOYSA-N 1 1 343.475 0.356 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccn[nH]3)CC2(C)C)C1=O ZINC000995525988 759706774 /nfs/dbraw/zinc/70/67/74/759706774.db2.gz NNNNTPWRGAABTP-TZMCWYRMSA-N 1 1 331.420 0.637 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCCS3(=O)=O)[C@@H]2C1 ZINC001050106320 759716653 /nfs/dbraw/zinc/71/66/53/759716653.db2.gz NRLMCSWKFHEFSX-HRCADAONSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CCN1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)cc2C1 ZINC001054269932 767885224 /nfs/dbraw/zinc/88/52/24/767885224.db2.gz VOUBPCILQBPEJG-RDTXWAMCSA-N 1 1 327.428 0.971 20 30 ECEDMO C#CCN1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)cc2C1 ZINC001054269932 767885233 /nfs/dbraw/zinc/88/52/33/767885233.db2.gz VOUBPCILQBPEJG-RDTXWAMCSA-N 1 1 327.428 0.971 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([C@H](C)[NH2+]Cc3nnn(C)n3)C2)c1 ZINC001047973754 759759282 /nfs/dbraw/zinc/75/92/82/759759282.db2.gz VWZDPAKJZLLKSQ-JSGCOSHPSA-N 1 1 339.403 0.227 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccoc3CC(N)=O)[C@@H]2C1 ZINC001050125551 759759690 /nfs/dbraw/zinc/75/96/90/759759690.db2.gz DISHCPMJQHFMKG-DZGCQCFKSA-N 1 1 329.400 0.867 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001050146083 759798485 /nfs/dbraw/zinc/79/84/85/759798485.db2.gz LUQIIFQLOPKCCN-SOUVJXGZSA-N 1 1 328.420 0.182 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C(C)(C)C1 ZINC000995578260 759821007 /nfs/dbraw/zinc/82/10/07/759821007.db2.gz FKYRJQHIIJZMQK-NEPJUHHUSA-N 1 1 332.408 0.295 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C(C)(C)C1 ZINC000995578277 759821032 /nfs/dbraw/zinc/82/10/32/759821032.db2.gz FKYRJQHIIJZMQK-RYUDHWBXSA-N 1 1 332.408 0.295 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(=O)n(CC)n3)[C@@H]2C1 ZINC001050166030 759843029 /nfs/dbraw/zinc/84/30/29/759843029.db2.gz MRJCEXNGIASTII-GOEBONIOSA-N 1 1 328.416 0.823 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 ZINC001050177376 759870790 /nfs/dbraw/zinc/87/07/90/759870790.db2.gz GTRWWEGBPUYGGL-UONOGXRCSA-N 1 1 348.447 0.816 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)c3cn(C)c(=O)n3C)cc2C1 ZINC001054292528 767901252 /nfs/dbraw/zinc/90/12/52/767901252.db2.gz KBEMUDKXKYNZBA-UHFFFAOYSA-N 1 1 338.411 0.993 20 30 ECEDMO Cn1ncnc1C[NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC000995655003 759954192 /nfs/dbraw/zinc/95/41/92/759954192.db2.gz YRJNADFONUMLCY-ZDUSSCGKSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993018733 767911791 /nfs/dbraw/zinc/91/17/91/767911791.db2.gz UFNXCZMIEMPKOJ-FZMZJTMJSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993018733 767911793 /nfs/dbraw/zinc/91/17/93/767911793.db2.gz UFNXCZMIEMPKOJ-FZMZJTMJSA-N 1 1 345.432 0.776 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3ccc(F)cc3O2)[C@@H](O)C1 ZINC001083641926 760195741 /nfs/dbraw/zinc/19/57/41/760195741.db2.gz IIWCPGSBBHDLNE-PMPSAXMXSA-N 1 1 332.375 0.704 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)c4ccn[nH]4)C3)CC2)C1=O ZINC001050440529 760269019 /nfs/dbraw/zinc/26/90/19/760269019.db2.gz GGBIKCBYQIKNMQ-HNNXBMFYSA-N 1 1 343.431 0.735 20 30 ECEDMO C[NH+]=C(NC[C@@H](C1CC1)N(C)C)N1CCN(C(=O)c2ccco2)CC1 ZINC000073187971 760323463 /nfs/dbraw/zinc/32/34/63/760323463.db2.gz YVJBUGJAFCCRKG-HNNXBMFYSA-N 1 1 347.463 0.953 20 30 ECEDMO Cn1ncnc1C[NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C ZINC000995704792 760442294 /nfs/dbraw/zinc/44/22/94/760442294.db2.gz HGOBEHRBSVLDHE-ZDUSSCGKSA-N 1 1 327.392 0.655 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)on2)C1=O ZINC001032268940 760443669 /nfs/dbraw/zinc/44/36/69/760443669.db2.gz QLUIXXGTCRDISJ-YDHLFZDLSA-N 1 1 330.388 0.669 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)on2)C1=O ZINC001032268940 760443673 /nfs/dbraw/zinc/44/36/73/760443673.db2.gz QLUIXXGTCRDISJ-YDHLFZDLSA-N 1 1 330.388 0.669 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001012651210 760489656 /nfs/dbraw/zinc/48/96/56/760489656.db2.gz ZJJDEYCTONNLTR-IAQYHMDHSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3nc(OC)cc(OC)n3)CCC[C@H]12 ZINC000991386388 760633623 /nfs/dbraw/zinc/63/36/23/760633623.db2.gz MLEZTCSXAJVIAR-SJCJKPOMSA-N 1 1 330.388 0.854 20 30 ECEDMO C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050667320 760645823 /nfs/dbraw/zinc/64/58/23/760645823.db2.gz WZYFBXKQXMZZDF-DOTOQJQBSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1O ZINC001048530552 760668865 /nfs/dbraw/zinc/66/88/65/760668865.db2.gz HVDWIZAERKEGKD-KBPBESRZSA-N 1 1 325.453 0.713 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001048561681 760721469 /nfs/dbraw/zinc/72/14/69/760721469.db2.gz HIDDWRJEPMRSQK-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCN(C)S1(=O)=O)C2 ZINC001048574177 760737633 /nfs/dbraw/zinc/73/76/33/760737633.db2.gz RNWVKCAZDNNDAP-XGUBFFRZSA-N 1 1 339.461 0.013 20 30 ECEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001048574290 760737768 /nfs/dbraw/zinc/73/77/68/760737768.db2.gz BEQRBTAKCUSAPR-YOWGUQMCSA-N 1 1 333.432 0.975 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001048574684 760739995 /nfs/dbraw/zinc/73/99/95/760739995.db2.gz OWCKNFUWEJJFSI-YOWGUQMCSA-N 1 1 331.416 0.422 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001050729257 760744000 /nfs/dbraw/zinc/74/40/00/760744000.db2.gz PIAMCGIRBGWGAG-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)nc1 ZINC001048582920 760753484 /nfs/dbraw/zinc/75/34/84/760753484.db2.gz YKNUBZQKUWGIAG-MUJYYYPQSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn([C@H]3CCOC3)nn1)C2 ZINC001048583220 760753708 /nfs/dbraw/zinc/75/37/08/760753708.db2.gz GTNHOMKIRSKHOI-FZKCQIBNSA-N 1 1 343.431 0.846 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccnc3[nH]c(CC)nc32)[C@@H](O)C1 ZINC001083663042 760758644 /nfs/dbraw/zinc/75/86/44/760758644.db2.gz UQPVUFIMARUCMQ-OLZOCXBDSA-N 1 1 329.404 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2ncccn2)C(C)(C)C1 ZINC000995920525 760778513 /nfs/dbraw/zinc/77/85/13/760778513.db2.gz FRWIWJDISGXATE-JKSUJKDBSA-N 1 1 341.459 0.901 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2ncccn2)C(C)(C)C1 ZINC000995920525 760778515 /nfs/dbraw/zinc/77/85/15/760778515.db2.gz FRWIWJDISGXATE-JKSUJKDBSA-N 1 1 341.459 0.901 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1cnc(C#N)cn1 ZINC001048612809 760791291 /nfs/dbraw/zinc/79/12/91/760791291.db2.gz FZOLVFXPYHDECZ-ZNMIVQPWSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1cnc(C#N)cn1 ZINC001048612809 760791297 /nfs/dbraw/zinc/79/12/97/760791297.db2.gz FZOLVFXPYHDECZ-ZNMIVQPWSA-N 1 1 344.419 0.152 20 30 ECEDMO CS(=O)(=O)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001048706625 760985152 /nfs/dbraw/zinc/98/51/52/760985152.db2.gz CHHJPXILRCBWNQ-IYBDPMFKSA-N 1 1 347.440 0.493 20 30 ECEDMO CS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001048706625 760985160 /nfs/dbraw/zinc/98/51/60/760985160.db2.gz CHHJPXILRCBWNQ-IYBDPMFKSA-N 1 1 347.440 0.493 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3coc(S(N)(=O)=O)c3)CCC[C@H]12 ZINC000991447893 760993783 /nfs/dbraw/zinc/99/37/83/760993783.db2.gz PBMOHURUMLYPHC-SWLSCSKDSA-N 1 1 337.401 0.287 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cocn4)C[C@H]3C2)C1=O ZINC001048721051 761030115 /nfs/dbraw/zinc/03/01/15/761030115.db2.gz VROAFUGEUAEAIR-VNHYZAJKSA-N 1 1 330.388 0.465 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H](C)C3)C[C@@H]2C1 ZINC001048727685 761056137 /nfs/dbraw/zinc/05/61/37/761056137.db2.gz MBASEESXWUCIKZ-FPCVCCKLSA-N 1 1 332.448 0.795 20 30 ECEDMO C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001050982238 761270867 /nfs/dbraw/zinc/27/08/67/761270867.db2.gz OBRYPJGGQRIZJO-HZSPNIEDSA-N 1 1 331.844 0.275 20 30 ECEDMO C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001050982238 761270872 /nfs/dbraw/zinc/27/08/72/761270872.db2.gz OBRYPJGGQRIZJO-HZSPNIEDSA-N 1 1 331.844 0.275 20 30 ECEDMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212154324 761446142 /nfs/dbraw/zinc/44/61/42/761446142.db2.gz LTRHGIQXCIRPIK-HZPDHXFCSA-N 1 1 344.415 0.400 20 30 ECEDMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212154324 761446147 /nfs/dbraw/zinc/44/61/47/761446147.db2.gz LTRHGIQXCIRPIK-HZPDHXFCSA-N 1 1 344.415 0.400 20 30 ECEDMO C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051081904 761455553 /nfs/dbraw/zinc/45/55/53/761455553.db2.gz QIMQPBMFFOIFJZ-CABCVRRESA-N 1 1 345.871 0.665 20 30 ECEDMO C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001051088071 761467885 /nfs/dbraw/zinc/46/78/85/761467885.db2.gz YDDHTTQRKGBFAQ-RDJZCZTQSA-N 1 1 330.432 0.594 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001051125203 761526768 /nfs/dbraw/zinc/52/67/68/761526768.db2.gz PBQAYVJOADSIOC-CABCVRRESA-N 1 1 348.451 0.409 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001051125203 761526773 /nfs/dbraw/zinc/52/67/73/761526773.db2.gz PBQAYVJOADSIOC-CABCVRRESA-N 1 1 348.451 0.409 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CCOCC2)nn1 ZINC001051156702 761580918 /nfs/dbraw/zinc/58/09/18/761580918.db2.gz XANNXWLJQYYVKX-OAHLLOKOSA-N 1 1 349.435 0.321 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CCOCC2)nn1 ZINC001051156702 761580923 /nfs/dbraw/zinc/58/09/23/761580923.db2.gz XANNXWLJQYYVKX-OAHLLOKOSA-N 1 1 349.435 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncc(F)cn2)[C@@H]1C ZINC001051196051 761666836 /nfs/dbraw/zinc/66/68/36/761666836.db2.gz GQFOPJQFPIKIBB-SNPRPXQTSA-N 1 1 331.395 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncc(F)cn2)[C@@H]1C ZINC001051196051 761666839 /nfs/dbraw/zinc/66/68/39/761666839.db2.gz GQFOPJQFPIKIBB-SNPRPXQTSA-N 1 1 331.395 0.797 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001051203229 761680669 /nfs/dbraw/zinc/68/06/69/761680669.db2.gz GZANVBRIGFDNBD-GFCCVEGCSA-N 1 1 331.376 0.442 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001051203229 761680676 /nfs/dbraw/zinc/68/06/76/761680676.db2.gz GZANVBRIGFDNBD-GFCCVEGCSA-N 1 1 331.376 0.442 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H]2CCCOC2)cn1 ZINC001051211311 761697400 /nfs/dbraw/zinc/69/74/00/761697400.db2.gz CSCJNPYYUDJCII-QAPCUYQASA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@H]2CCCOC2)cn1 ZINC001051211311 761697403 /nfs/dbraw/zinc/69/74/03/761697403.db2.gz CSCJNPYYUDJCII-QAPCUYQASA-N 1 1 343.427 0.920 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)cccc2C1 ZINC001051296502 761844341 /nfs/dbraw/zinc/84/43/41/761844341.db2.gz SITJHJDBPLHTHM-IAGOWNOFSA-N 1 1 325.412 0.806 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)NC(=O)CSCC#N)C1 ZINC001051315289 761879569 /nfs/dbraw/zinc/87/95/69/761879569.db2.gz YSKSSFLSFXNRDM-KBPBESRZSA-N 1 1 340.493 0.938 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051755100 762884708 /nfs/dbraw/zinc/88/47/08/762884708.db2.gz DJIIQYYRVWXGOK-ZDUSSCGKSA-N 1 1 334.424 0.537 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2CCC)C1 ZINC001051755242 762886137 /nfs/dbraw/zinc/88/61/37/762886137.db2.gz GRFQRAZFXIUCFX-ZDUSSCGKSA-N 1 1 336.440 0.612 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1ccnc(C#N)n1 ZINC001105935929 762893291 /nfs/dbraw/zinc/89/32/91/762893291.db2.gz XYCXTUNMURTLTI-AWEZNQCLSA-N 1 1 348.451 0.171 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1=O ZINC001014615955 762909089 /nfs/dbraw/zinc/90/90/89/762909089.db2.gz KEWREQIMGABDAA-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2cnon2)CC1 ZINC001017538506 768093696 /nfs/dbraw/zinc/09/36/96/768093696.db2.gz SNKXDUMSWCRKOW-HNNXBMFYSA-N 1 1 343.387 0.056 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2cnon2)CC1 ZINC001017538506 768093703 /nfs/dbraw/zinc/09/37/03/768093703.db2.gz SNKXDUMSWCRKOW-HNNXBMFYSA-N 1 1 343.387 0.056 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cc(C)on3)C2)c1 ZINC001051816692 763032516 /nfs/dbraw/zinc/03/25/16/763032516.db2.gz LLCSUPCULFKPEQ-KRWDZBQOSA-N 1 1 340.383 0.990 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3coc(C)n3)C2)c1 ZINC001051817219 763033480 /nfs/dbraw/zinc/03/34/80/763033480.db2.gz QQRGBENZBLORLB-KRWDZBQOSA-N 1 1 340.383 0.990 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001014777529 763137590 /nfs/dbraw/zinc/13/75/90/763137590.db2.gz YBEUPZHCJPZHKZ-MOPGFXCFSA-N 1 1 341.455 0.967 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001105973026 763137651 /nfs/dbraw/zinc/13/76/51/763137651.db2.gz SNGRXTWSFKSQCP-HOTGVXAUSA-N 1 1 331.420 0.715 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001051868395 763155136 /nfs/dbraw/zinc/15/51/36/763155136.db2.gz UYXVUQNLJBKAOB-VYDXJSESSA-N 1 1 346.431 0.775 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COc1cnn(C)c1 ZINC001089852936 763184026 /nfs/dbraw/zinc/18/40/26/763184026.db2.gz MOTIOMQEKLPEHL-OWLYRPNTSA-N 1 1 342.443 0.991 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COc1cnn(C)c1 ZINC001089853628 763195713 /nfs/dbraw/zinc/19/57/13/763195713.db2.gz WPLLKTBXQGFNMF-LLLHUVSDSA-N 1 1 328.416 0.601 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)ccc1F ZINC001014809106 763208524 /nfs/dbraw/zinc/20/85/24/763208524.db2.gz BJMOBZDDKWUXKF-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)ccc1F ZINC001014809106 763208530 /nfs/dbraw/zinc/20/85/30/763208530.db2.gz BJMOBZDDKWUXKF-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)cc1F ZINC001014813005 763218186 /nfs/dbraw/zinc/21/81/86/763218186.db2.gz XJDZWYDGJDYWMY-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)cc1F ZINC001014813005 763218194 /nfs/dbraw/zinc/21/81/94/763218194.db2.gz XJDZWYDGJDYWMY-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)CN1CC(=O)NCC#N ZINC001098976991 763234770 /nfs/dbraw/zinc/23/47/70/763234770.db2.gz YNFIMUQHHXRYDY-CABCVRRESA-N 1 1 349.479 0.327 20 30 ECEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001046853731 763237688 /nfs/dbraw/zinc/23/76/88/763237688.db2.gz DJXNDHRJKCDWAC-INIZCTEOSA-N 1 1 334.424 0.137 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC001046865069 763265410 /nfs/dbraw/zinc/26/54/10/763265410.db2.gz VKEMHQKAIVNSIR-DEYYWGMASA-N 1 1 340.431 0.563 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC000940507368 763350040 /nfs/dbraw/zinc/35/00/40/763350040.db2.gz YNXGYZOZJHSQAJ-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCc3ccccc3C#N)C2)C1 ZINC001051931894 763370535 /nfs/dbraw/zinc/37/05/35/763370535.db2.gz IFHRCCZWBXYEMX-ROUUACIJSA-N 1 1 342.443 0.827 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCc3ccccc3C#N)C2)C1 ZINC001051931894 763370544 /nfs/dbraw/zinc/37/05/44/763370544.db2.gz IFHRCCZWBXYEMX-ROUUACIJSA-N 1 1 342.443 0.827 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(OCC)n[nH]3)C2)C1=O ZINC001014889278 763379797 /nfs/dbraw/zinc/37/97/97/763379797.db2.gz NORZHMXBXOEWHV-TZMCWYRMSA-N 1 1 347.419 0.399 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(OCC)n[nH]3)C2)C1=O ZINC001014889278 763379805 /nfs/dbraw/zinc/37/98/05/763379805.db2.gz NORZHMXBXOEWHV-TZMCWYRMSA-N 1 1 347.419 0.399 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)c1 ZINC000940547846 763407987 /nfs/dbraw/zinc/40/79/87/763407987.db2.gz NBHUSTPOYQHCCM-MRXNPFEDSA-N 1 1 337.383 0.599 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccc(C#N)nc3)C2)C1 ZINC001051948748 763422150 /nfs/dbraw/zinc/42/21/50/763422150.db2.gz ZMEZNFLNESHBMV-IMRCBTMISA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccc(C#N)nc3)C2)C1 ZINC001051948748 763422152 /nfs/dbraw/zinc/42/21/52/763422152.db2.gz ZMEZNFLNESHBMV-IMRCBTMISA-N 1 1 343.431 0.981 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)no1 ZINC001046950813 763446675 /nfs/dbraw/zinc/44/66/75/763446675.db2.gz LNWANDGSAHBINQ-NSHDSACASA-N 1 1 341.362 0.947 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001046951992 763449573 /nfs/dbraw/zinc/44/95/73/763449573.db2.gz VEOOIXPSLXKRDB-LLVKDONJSA-N 1 1 349.341 0.984 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001046951992 763449579 /nfs/dbraw/zinc/44/95/79/763449579.db2.gz VEOOIXPSLXKRDB-LLVKDONJSA-N 1 1 349.341 0.984 20 30 ECEDMO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001105995040 763481349 /nfs/dbraw/zinc/48/13/49/763481349.db2.gz LCJOUAFWMDWLKT-ZIAGYGMSSA-N 1 1 340.387 0.616 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001046967885 763483363 /nfs/dbraw/zinc/48/33/63/763483363.db2.gz ZLIIDHUIQPCYCF-QWHCGFSZSA-N 1 1 327.375 0.704 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001046967885 763483368 /nfs/dbraw/zinc/48/33/68/763483368.db2.gz ZLIIDHUIQPCYCF-QWHCGFSZSA-N 1 1 327.375 0.704 20 30 ECEDMO C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046969035 763487650 /nfs/dbraw/zinc/48/76/50/763487650.db2.gz UPXBWASCMFPDPS-VXGBXAGGSA-N 1 1 330.379 0.707 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046971058 763489449 /nfs/dbraw/zinc/48/94/49/763489449.db2.gz RUFVQTOAJXUDSZ-FRRDWIJNSA-N 1 1 345.390 0.669 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccccc2)C1 ZINC000995110034 763550568 /nfs/dbraw/zinc/55/05/68/763550568.db2.gz ZSFBAXUEHHSRIR-KRWDZBQOSA-N 1 1 325.412 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccccc2)C1 ZINC000995110034 763550574 /nfs/dbraw/zinc/55/05/74/763550574.db2.gz ZSFBAXUEHHSRIR-KRWDZBQOSA-N 1 1 325.412 0.654 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052028933 763625243 /nfs/dbraw/zinc/62/52/43/763625243.db2.gz VAMMDMPJKUNOPQ-RBUKOAKNSA-N 1 1 344.503 0.570 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3C=C)C2)CC1 ZINC001052030823 763630462 /nfs/dbraw/zinc/63/04/62/763630462.db2.gz WBUPCPRUBFNFIU-KURKYZTESA-N 1 1 331.460 0.819 20 30 ECEDMO N#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001052036327 763647976 /nfs/dbraw/zinc/64/79/76/763647976.db2.gz LKUXGZRVGDNAQO-HOTGVXAUSA-N 1 1 342.447 0.503 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037049 763653570 /nfs/dbraw/zinc/65/35/70/763653570.db2.gz CUJDOKLURMZKRK-QGZVFWFLSA-N 1 1 329.448 0.123 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001052040478 763662335 /nfs/dbraw/zinc/66/23/35/763662335.db2.gz AWOAQPIYOPNUAV-MSOLQXFVSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)CC1 ZINC001052045147 763682326 /nfs/dbraw/zinc/68/23/26/763682326.db2.gz QLWIRMZHXXPRKD-IAGOWNOFSA-N 1 1 341.459 0.297 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)CC1 ZINC001052045627 763683441 /nfs/dbraw/zinc/68/34/41/763683441.db2.gz VIVMJXHNQSAZNN-HOTGVXAUSA-N 1 1 342.447 0.188 20 30 ECEDMO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001015024560 763692222 /nfs/dbraw/zinc/69/22/22/763692222.db2.gz NMTFPNLFEIWWDT-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C2)CC1 ZINC001052047726 763692396 /nfs/dbraw/zinc/69/23/96/763692396.db2.gz XOMUVSRFBMMGQM-AWEZNQCLSA-N 1 1 340.431 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C2)CC1 ZINC001052047726 763692402 /nfs/dbraw/zinc/69/24/02/763692402.db2.gz XOMUVSRFBMMGQM-AWEZNQCLSA-N 1 1 340.431 0.928 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C2)CC1 ZINC001052048920 763698636 /nfs/dbraw/zinc/69/86/36/763698636.db2.gz GOOMDAQCBPJBHF-CQSZACIVSA-N 1 1 333.436 0.447 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)CC1 ZINC001052049813 763703633 /nfs/dbraw/zinc/70/36/33/763703633.db2.gz QHOAAOMITAORHT-OAHLLOKOSA-N 1 1 345.447 0.684 20 30 ECEDMO Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052056191 763726985 /nfs/dbraw/zinc/72/69/85/763726985.db2.gz SOJAWZDGWHETJX-BZUAXINKSA-N 1 1 342.447 0.266 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCC(=O)NC1 ZINC001015041802 763732885 /nfs/dbraw/zinc/73/28/85/763732885.db2.gz GIYNIGFKDQGHLP-WBVHZDCISA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCC(=O)NC1 ZINC001015041802 763732890 /nfs/dbraw/zinc/73/28/90/763732890.db2.gz GIYNIGFKDQGHLP-WBVHZDCISA-N 1 1 343.402 0.894 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCC2CC(Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001052061450 763744300 /nfs/dbraw/zinc/74/43/00/763744300.db2.gz FNOUJZPQFRCMCP-LQULJDIASA-N 1 1 342.447 0.807 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052079229 763791717 /nfs/dbraw/zinc/79/17/17/763791717.db2.gz GOISZTXYLKQYQR-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052079229 763791728 /nfs/dbraw/zinc/79/17/28/763791728.db2.gz GOISZTXYLKQYQR-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO CC#CCN1CCN([C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081452 763799294 /nfs/dbraw/zinc/79/92/94/763799294.db2.gz BQHNFTIKSOFSMF-MSOLQXFVSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2(C)CCOCC2)C1 ZINC000941573178 763807808 /nfs/dbraw/zinc/80/78/08/763807808.db2.gz IBMDRVNQSYRLSA-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2(C)CCOCC2)C1 ZINC000941573178 763807814 /nfs/dbraw/zinc/80/78/14/763807814.db2.gz IBMDRVNQSYRLSA-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cnn(C)n3)C2)CC1 ZINC001052084893 763809991 /nfs/dbraw/zinc/80/99/91/763809991.db2.gz ZDHAXLJVXAWIDA-INIZCTEOSA-N 1 1 332.452 0.152 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3cnn(C)n3)C2)CC1 ZINC001052084893 763810002 /nfs/dbraw/zinc/81/00/02/763810002.db2.gz ZDHAXLJVXAWIDA-INIZCTEOSA-N 1 1 332.452 0.152 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2C[NH+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001031963192 763825045 /nfs/dbraw/zinc/82/50/45/763825045.db2.gz HBQMNUWRMCFGKK-INIZCTEOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2C[NH+]([C@H]3CCN(C(C)C)C3=O)C2)c1 ZINC001031963943 763829797 /nfs/dbraw/zinc/82/97/97/763829797.db2.gz ZHHMTMPXBCONFF-KRWDZBQOSA-N 1 1 340.427 0.734 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cncc(OC)n3)C2)CC1 ZINC001052093993 763837846 /nfs/dbraw/zinc/83/78/46/763837846.db2.gz VEDCFNGGEFQWSN-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)C2)CC1 ZINC001052097974 763851955 /nfs/dbraw/zinc/85/19/55/763851955.db2.gz AWTMBMHNBBFUPF-RHSMWYFYSA-N 1 1 343.475 0.982 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(CC)nn3)C2)CC1 ZINC001052103305 763869107 /nfs/dbraw/zinc/86/91/07/763869107.db2.gz OXXBDYWJKKTLNT-OAHLLOKOSA-N 1 1 330.436 0.153 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106344437 768171538 /nfs/dbraw/zinc/17/15/38/768171538.db2.gz MVYYRAVRCFUWHV-OCCSQVGLSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106344437 768171544 /nfs/dbraw/zinc/17/15/44/768171544.db2.gz MVYYRAVRCFUWHV-OCCSQVGLSA-N 1 1 332.408 0.376 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107935 763888383 /nfs/dbraw/zinc/88/83/83/763888383.db2.gz IAOFESISDZHWLF-MSOLQXFVSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107935 763888390 /nfs/dbraw/zinc/88/83/90/763888390.db2.gz IAOFESISDZHWLF-MSOLQXFVSA-N 1 1 332.492 0.570 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3conc3COC)C2)CC1 ZINC001052109140 763894894 /nfs/dbraw/zinc/89/48/94/763894894.db2.gz XELGLFHNQXUJTP-HNNXBMFYSA-N 1 1 346.431 0.676 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncccc3OC)C2)CC1 ZINC001052111883 763905127 /nfs/dbraw/zinc/90/51/27/763905127.db2.gz GIIFMLYJJOFTTB-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C=C(Cl)CN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117079 763926426 /nfs/dbraw/zinc/92/64/26/763926426.db2.gz FSMOXGQLKRUJRS-JKSUJKDBSA-N 1 1 340.899 0.909 20 30 ECEDMO Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052117690 763930060 /nfs/dbraw/zinc/93/00/60/763930060.db2.gz XHANNTPAFBFWPK-MRXNPFEDSA-N 1 1 344.463 0.701 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052118292 763931463 /nfs/dbraw/zinc/93/14/63/763931463.db2.gz BMJQKQIFEVEXAV-SJORKVTESA-N 1 1 333.480 0.603 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052118291 763932246 /nfs/dbraw/zinc/93/22/46/763932246.db2.gz BMJQKQIFEVEXAV-IRXDYDNUSA-N 1 1 333.480 0.603 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)CC1 ZINC001052118173 763932302 /nfs/dbraw/zinc/93/23/02/763932302.db2.gz NGICETPMTBKTLH-CQSZACIVSA-N 1 1 331.420 0.132 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)CC1 ZINC001052118173 763932309 /nfs/dbraw/zinc/93/23/09/763932309.db2.gz NGICETPMTBKTLH-CQSZACIVSA-N 1 1 331.420 0.132 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)C2)CC1 ZINC001052121817 763943296 /nfs/dbraw/zinc/94/32/96/763943296.db2.gz HVQLQLIEUVGOIH-MSOLQXFVSA-N 1 1 343.475 0.913 20 30 ECEDMO Cc1cnn(CCC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052122450 763946098 /nfs/dbraw/zinc/94/60/98/763946098.db2.gz TWRVQXSCNPBCCE-MRXNPFEDSA-N 1 1 330.436 0.324 20 30 ECEDMO Cc1cncc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001047338044 764046235 /nfs/dbraw/zinc/04/62/35/764046235.db2.gz QKXYQNJDWOVTSB-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1cncc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001047338044 764046243 /nfs/dbraw/zinc/04/62/43/764046243.db2.gz QKXYQNJDWOVTSB-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccccn2)C1 ZINC000991858251 764086559 /nfs/dbraw/zinc/08/65/59/764086559.db2.gz QXRJFCHSTQFXSA-DQPZFDDXSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccccn2)C1 ZINC000991858251 764086563 /nfs/dbraw/zinc/08/65/63/764086563.db2.gz QXRJFCHSTQFXSA-DQPZFDDXSA-N 1 1 340.427 0.804 20 30 ECEDMO Cc1c[nH]nc1C(=O)N(C)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047372624 764145483 /nfs/dbraw/zinc/14/54/83/764145483.db2.gz GSNPTYQMSXHOME-HOTGVXAUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1c[nH]nc1C(=O)N(C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047372624 764145490 /nfs/dbraw/zinc/14/54/90/764145490.db2.gz GSNPTYQMSXHOME-HOTGVXAUSA-N 1 1 339.399 0.907 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC(F)F)C1 ZINC001047380077 764168171 /nfs/dbraw/zinc/16/81/71/764168171.db2.gz YAMDVGWRPLQITD-STQMWFEESA-N 1 1 328.363 0.841 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2cn[nH]n2)C1 ZINC001089866826 764169555 /nfs/dbraw/zinc/16/95/55/764169555.db2.gz FNZRWBVABBTCEE-HJWJTTGWSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2c[nH]nn2)C1 ZINC001089866826 764169561 /nfs/dbraw/zinc/16/95/61/764169561.db2.gz FNZRWBVABBTCEE-HJWJTTGWSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2c[nH]nn2)C1 ZINC001089866826 764169567 /nfs/dbraw/zinc/16/95/67/764169567.db2.gz FNZRWBVABBTCEE-HJWJTTGWSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2cnn[nH]2)C1 ZINC001089866826 764169575 /nfs/dbraw/zinc/16/95/75/764169575.db2.gz FNZRWBVABBTCEE-HJWJTTGWSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2cnn[nH]2)C1 ZINC001089866826 764169582 /nfs/dbraw/zinc/16/95/82/764169582.db2.gz FNZRWBVABBTCEE-HJWJTTGWSA-N 1 1 327.432 0.929 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCOC)nc2C)C1 ZINC001047380684 764170388 /nfs/dbraw/zinc/17/03/88/764170388.db2.gz RMQVKFLASDBGAS-HOTGVXAUSA-N 1 1 336.436 0.531 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 ZINC001047388104 764186219 /nfs/dbraw/zinc/18/62/19/764186219.db2.gz CXLOOXZHNIMGTK-IKGGRYGDSA-N 1 1 347.463 0.870 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001047388104 764186227 /nfs/dbraw/zinc/18/62/27/764186227.db2.gz CXLOOXZHNIMGTK-IKGGRYGDSA-N 1 1 347.463 0.870 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001047388104 764186233 /nfs/dbraw/zinc/18/62/33/764186233.db2.gz CXLOOXZHNIMGTK-IKGGRYGDSA-N 1 1 347.463 0.870 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001047392653 764198031 /nfs/dbraw/zinc/19/80/31/764198031.db2.gz DISAZTIFQBLKAE-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001047397249 764210656 /nfs/dbraw/zinc/21/06/56/764210656.db2.gz PNPPXRQNRJGZID-ILXRZTDVSA-N 1 1 332.400 0.906 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001047398210 764213833 /nfs/dbraw/zinc/21/38/33/764213833.db2.gz GHVNGOGGCQXYKL-HOTGVXAUSA-N 1 1 347.415 0.244 20 30 ECEDMO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC001052318792 764241869 /nfs/dbraw/zinc/24/18/69/764241869.db2.gz LUQGENYWDKTAOC-CYBMUJFWSA-N 1 1 327.392 0.799 20 30 ECEDMO Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC001052318792 764241876 /nfs/dbraw/zinc/24/18/76/764241876.db2.gz LUQGENYWDKTAOC-CYBMUJFWSA-N 1 1 327.392 0.799 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052319036 764242390 /nfs/dbraw/zinc/24/23/90/764242390.db2.gz QFUFXDJAVKRGGI-GXTWGEPZSA-N 1 1 331.420 0.947 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083778242 764244989 /nfs/dbraw/zinc/24/49/89/764244989.db2.gz GMDWAWKWWPWAKW-OLMNPRSZSA-N 1 1 342.443 0.704 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001047407848 764251214 /nfs/dbraw/zinc/25/12/14/764251214.db2.gz QWEJGGJCOCRYKU-KBPBESRZSA-N 1 1 331.372 0.435 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001047407848 764251216 /nfs/dbraw/zinc/25/12/16/764251216.db2.gz QWEJGGJCOCRYKU-KBPBESRZSA-N 1 1 331.372 0.435 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001032041360 764252367 /nfs/dbraw/zinc/25/23/67/764252367.db2.gz KUXWRCUQDSEKPK-BPUTZDHNSA-N 1 1 337.464 0.882 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001047414785 764271754 /nfs/dbraw/zinc/27/17/54/764271754.db2.gz SOVJBEVIDWEODM-HOTGVXAUSA-N 1 1 325.372 0.018 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001047414785 764271759 /nfs/dbraw/zinc/27/17/59/764271759.db2.gz SOVJBEVIDWEODM-HOTGVXAUSA-N 1 1 325.372 0.018 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106987878 764274530 /nfs/dbraw/zinc/27/45/30/764274530.db2.gz BURRTKFOEPMTJH-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106987878 764274537 /nfs/dbraw/zinc/27/45/37/764274537.db2.gz BURRTKFOEPMTJH-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CNC(=O)N2)C1 ZINC000995275147 764282887 /nfs/dbraw/zinc/28/28/87/764282887.db2.gz SSJDQFTWBMRVPV-HZPDHXFCSA-N 1 1 343.431 0.600 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNc2ccncc2C#N)C1 ZINC001106069456 764301806 /nfs/dbraw/zinc/30/18/06/764301806.db2.gz RANWTDQSVULHQL-HOCLYGCPSA-N 1 1 345.447 0.386 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCO[C@H]3C(=C)C)C2)C1=O ZINC001032048097 764308429 /nfs/dbraw/zinc/30/84/29/764308429.db2.gz UOQDJDDWOFDAQO-ULQDDVLXSA-N 1 1 347.459 0.803 20 30 ECEDMO C=CCOc1ccccc1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001047433524 764333042 /nfs/dbraw/zinc/33/30/42/764333042.db2.gz MGUGZYUEFTYKRC-BPUTZDHNSA-N 1 1 334.416 0.749 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3nonc3C)C2)nn1 ZINC001098763287 764344382 /nfs/dbraw/zinc/34/43/82/764344382.db2.gz XGBGICBNYRJEFO-CYBMUJFWSA-N 1 1 331.380 0.261 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(n2)OCCO3)C1 ZINC001047441401 764357270 /nfs/dbraw/zinc/35/72/70/764357270.db2.gz CREVGCPUIFMWMI-KBPBESRZSA-N 1 1 333.388 0.546 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052378912 764367391 /nfs/dbraw/zinc/36/73/91/764367391.db2.gz KQNPNSRUFSQEOA-GJZGRUSLSA-N 1 1 343.431 0.757 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001047445489 764369602 /nfs/dbraw/zinc/36/96/02/764369602.db2.gz ZHNWVWZWGHJSSV-KBPBESRZSA-N 1 1 338.839 0.451 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001047445489 764369610 /nfs/dbraw/zinc/36/96/10/764369610.db2.gz ZHNWVWZWGHJSSV-KBPBESRZSA-N 1 1 338.839 0.451 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)c[nH]2)C1 ZINC001047447437 764375585 /nfs/dbraw/zinc/37/55/85/764375585.db2.gz SATRMAFQIHOJRW-STQMWFEESA-N 1 1 340.221 0.918 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)c[nH]2)C1 ZINC001047447437 764375591 /nfs/dbraw/zinc/37/55/91/764375591.db2.gz SATRMAFQIHOJRW-STQMWFEESA-N 1 1 340.221 0.918 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(N3CCCC3)ccn2)C1 ZINC001047448367 764377582 /nfs/dbraw/zinc/37/75/82/764377582.db2.gz PQUYUCJIDYQRHP-ROUUACIJSA-N 1 1 342.443 0.822 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(N3CCCC3)ccn2)C1 ZINC001047448367 764377588 /nfs/dbraw/zinc/37/75/88/764377588.db2.gz PQUYUCJIDYQRHP-ROUUACIJSA-N 1 1 342.443 0.822 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001047455940 764398350 /nfs/dbraw/zinc/39/83/50/764398350.db2.gz HVABPSGLNLXXOE-QWRGUYRKSA-N 1 1 330.310 0.799 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001047455940 764398363 /nfs/dbraw/zinc/39/83/63/764398363.db2.gz HVABPSGLNLXXOE-QWRGUYRKSA-N 1 1 330.310 0.799 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@@H]2C)nn1 ZINC001088906814 764419847 /nfs/dbraw/zinc/41/98/47/764419847.db2.gz NBBKCFDWXZYUIA-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001047471295 764437630 /nfs/dbraw/zinc/43/76/30/764437630.db2.gz MILBBZUEPJZVOX-BZSNNMDCSA-N 1 1 349.475 0.014 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001047471295 764437636 /nfs/dbraw/zinc/43/76/36/764437636.db2.gz MILBBZUEPJZVOX-BZSNNMDCSA-N 1 1 349.475 0.014 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001047473756 764445135 /nfs/dbraw/zinc/44/51/35/764445135.db2.gz XHBDFKTUEHGLPC-OALUTQOASA-N 1 1 343.471 0.931 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC(C)(C)O ZINC001099049217 764456040 /nfs/dbraw/zinc/45/60/40/764456040.db2.gz OWITXEOCZZSOAL-AWEZNQCLSA-N 1 1 337.464 0.504 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC(C)(C)O ZINC001099049217 764456044 /nfs/dbraw/zinc/45/60/44/764456044.db2.gz OWITXEOCZZSOAL-AWEZNQCLSA-N 1 1 337.464 0.504 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001047479782 764467159 /nfs/dbraw/zinc/46/71/59/764467159.db2.gz WVMVOANIILNMPO-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001047479782 764467162 /nfs/dbraw/zinc/46/71/62/764467162.db2.gz WVMVOANIILNMPO-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CNC(=O)C1 ZINC001015375787 764473107 /nfs/dbraw/zinc/47/31/07/764473107.db2.gz KSKNDQTULVWNAU-CRAIPNDOSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CNC(=O)C1 ZINC001015375787 764473109 /nfs/dbraw/zinc/47/31/09/764473109.db2.gz KSKNDQTULVWNAU-CRAIPNDOSA-N 1 1 326.400 0.775 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001052429517 764477709 /nfs/dbraw/zinc/47/77/09/764477709.db2.gz NGUKVVDMXATOOL-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001077579671 764498153 /nfs/dbraw/zinc/49/81/53/764498153.db2.gz LQECMEZQHMGKEW-MGPQQGTHSA-N 1 1 331.407 0.701 20 30 ECEDMO COCC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001099055272 764507309 /nfs/dbraw/zinc/50/73/09/764507309.db2.gz QMTCDPYZDLPFJR-CQSZACIVSA-N 1 1 333.436 0.685 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001099055272 764507313 /nfs/dbraw/zinc/50/73/13/764507313.db2.gz QMTCDPYZDLPFJR-CQSZACIVSA-N 1 1 333.436 0.685 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001047501942 764529622 /nfs/dbraw/zinc/52/96/22/764529622.db2.gz YOASFYYNGQWCKN-KBPBESRZSA-N 1 1 345.403 0.747 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(CC(F)F)CC2)C1 ZINC001047503920 764535470 /nfs/dbraw/zinc/53/54/70/764535470.db2.gz QNKODZXGORXQFU-GJZGRUSLSA-N 1 1 343.418 0.490 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001052457803 764542439 /nfs/dbraw/zinc/54/24/39/764542439.db2.gz VWMIIYIXGFTZMA-ROUUACIJSA-N 1 1 343.475 0.988 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001047523586 764585860 /nfs/dbraw/zinc/58/58/60/764585860.db2.gz ZMTIJWFKPYNPQR-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO N#CCN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089877468 764623754 /nfs/dbraw/zinc/62/37/54/764623754.db2.gz ZXJAMTSUAIGREP-NXOAAHMSSA-N 1 1 332.448 0.401 20 30 ECEDMO Cc1cc(NCC[C@@H](C)NC(=O)CC[NH+]2CCOCC2)c(C#N)cn1 ZINC001106383367 768229169 /nfs/dbraw/zinc/22/91/69/768229169.db2.gz RZOAIQWPGHRESW-CQSZACIVSA-N 1 1 345.447 0.713 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC001047557049 764686651 /nfs/dbraw/zinc/68/66/51/764686651.db2.gz CCRZQLFDVSTCRQ-HOTGVXAUSA-N 1 1 331.416 0.880 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001052526519 764692355 /nfs/dbraw/zinc/69/23/55/764692355.db2.gz FMHHQJMEFNOBNJ-LBPRGKRZSA-N 1 1 339.417 0.535 20 30 ECEDMO CN(C(=O)[C@]1(C)CCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047577827 764754961 /nfs/dbraw/zinc/75/49/61/764754961.db2.gz CNEMILUCWBQZSA-JENIJYKNSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)[C@]1(C)CCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047577827 764754970 /nfs/dbraw/zinc/75/49/70/764754970.db2.gz CNEMILUCWBQZSA-JENIJYKNSA-N 1 1 343.427 0.988 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)cc1 ZINC001015486268 764756540 /nfs/dbraw/zinc/75/65/40/764756540.db2.gz GPEPWOYLVYIAKR-OAHLLOKOSA-N 1 1 340.383 0.024 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)cc1 ZINC001015486268 764756547 /nfs/dbraw/zinc/75/65/47/764756547.db2.gz GPEPWOYLVYIAKR-OAHLLOKOSA-N 1 1 340.383 0.024 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001047587435 764789689 /nfs/dbraw/zinc/78/96/89/764789689.db2.gz OJYFZVXVHCTFMJ-RRFJBIMHSA-N 1 1 342.447 0.951 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H]3CCN(C(C)C)C3=O)C2)cn1 ZINC001032137864 764789912 /nfs/dbraw/zinc/78/99/12/764789912.db2.gz CSPUZUGPEGAULR-KRWDZBQOSA-N 1 1 340.427 0.734 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001047590805 764802040 /nfs/dbraw/zinc/80/20/40/764802040.db2.gz KTIIDKBOQALVBU-HOTGVXAUSA-N 1 1 343.431 0.217 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001047590805 764802044 /nfs/dbraw/zinc/80/20/44/764802044.db2.gz KTIIDKBOQALVBU-HOTGVXAUSA-N 1 1 343.431 0.217 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC001047591296 764804230 /nfs/dbraw/zinc/80/42/30/764804230.db2.gz VDMKLBGHOBTHEP-KBPBESRZSA-N 1 1 330.388 0.983 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC001047591296 764804235 /nfs/dbraw/zinc/80/42/35/764804235.db2.gz VDMKLBGHOBTHEP-KBPBESRZSA-N 1 1 330.388 0.983 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)CC1 ZINC001052590019 764809894 /nfs/dbraw/zinc/80/98/94/764809894.db2.gz UEAFWJJWSDGHSF-CABCVRRESA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)CC1 ZINC001052590019 764809901 /nfs/dbraw/zinc/80/99/01/764809901.db2.gz UEAFWJJWSDGHSF-CABCVRRESA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001052598352 764827135 /nfs/dbraw/zinc/82/71/35/764827135.db2.gz GGOXRABRESWIQI-HZPDHXFCSA-N 1 1 337.464 0.577 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3csnn3)CC2)C1=O ZINC001052598830 764827202 /nfs/dbraw/zinc/82/72/02/764827202.db2.gz ORJUVUCRSHAMFI-OCCSQVGLSA-N 1 1 349.460 0.909 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC001047598261 764830521 /nfs/dbraw/zinc/83/05/21/764830521.db2.gz CKZYWUWLTBTMNP-BQFCYCMXSA-N 1 1 328.412 0.825 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001047599314 764836086 /nfs/dbraw/zinc/83/60/86/764836086.db2.gz QVGRKFAONUMYMC-IRXDYDNUSA-N 1 1 343.427 0.529 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001052608141 764841902 /nfs/dbraw/zinc/84/19/02/764841902.db2.gz DLDPHFQNMPGGNA-CYBMUJFWSA-N 1 1 342.407 0.301 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001052609754 764843418 /nfs/dbraw/zinc/84/34/18/764843418.db2.gz ZWZRCLSQLOCCED-ZDUSSCGKSA-N 1 1 342.407 0.301 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047601656 764845045 /nfs/dbraw/zinc/84/50/45/764845045.db2.gz FLUQIFAGZTVJRA-GJZGRUSLSA-N 1 1 335.379 0.570 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2Cc3ccccc3C2=O)C1 ZINC001047601755 764845409 /nfs/dbraw/zinc/84/54/09/764845409.db2.gz JTVRWRMIWSPPJK-IRXDYDNUSA-N 1 1 341.411 0.169 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2Cc3ccccc3C2=O)C1 ZINC001047601755 764845415 /nfs/dbraw/zinc/84/54/15/764845415.db2.gz JTVRWRMIWSPPJK-IRXDYDNUSA-N 1 1 341.411 0.169 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1OC ZINC001212194866 764913482 /nfs/dbraw/zinc/91/34/82/764913482.db2.gz YYQOTTOXFMNTOY-NUJGCVRESA-N 1 1 340.464 0.946 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3[nH]cnc3CC)C2)nn1 ZINC001098774075 764930736 /nfs/dbraw/zinc/93/07/36/764930736.db2.gz MTLPKIASYWPFOQ-CYBMUJFWSA-N 1 1 329.408 0.926 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1=O ZINC001015548015 764932063 /nfs/dbraw/zinc/93/20/63/764932063.db2.gz LMMVBRCNXSJDEV-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1=O ZINC001015548015 764932071 /nfs/dbraw/zinc/93/20/71/764932071.db2.gz LMMVBRCNXSJDEV-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1=O ZINC001015549700 764936014 /nfs/dbraw/zinc/93/60/14/764936014.db2.gz PWGGVPJKFNLLPH-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1=O ZINC001015549700 764936019 /nfs/dbraw/zinc/93/60/19/764936019.db2.gz PWGGVPJKFNLLPH-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO C[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)Nc1ccnc(C#N)n1 ZINC001098284872 764966972 /nfs/dbraw/zinc/96/69/72/764966972.db2.gz MURWOWAJPPBEKX-SJCJKPOMSA-N 1 1 348.426 0.899 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015599802 765035476 /nfs/dbraw/zinc/03/54/76/765035476.db2.gz BVINBJPLPLDDJI-BXUZGUMPSA-N 1 1 332.429 0.931 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015599802 765035479 /nfs/dbraw/zinc/03/54/79/765035479.db2.gz BVINBJPLPLDDJI-BXUZGUMPSA-N 1 1 332.429 0.931 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001052755682 765069908 /nfs/dbraw/zinc/06/99/08/765069908.db2.gz XDAVHZAJMUWFPW-QWRGUYRKSA-N 1 1 328.800 0.308 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991988197 765076685 /nfs/dbraw/zinc/07/66/85/765076685.db2.gz QLKAWENSFLEMAA-BPUTZDHNSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)CC2)nn1 ZINC001052779135 765104853 /nfs/dbraw/zinc/10/48/53/765104853.db2.gz XJJJRMLXJAPUAP-CHWSQXEVSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnn(C)n3)CC2)C1=O ZINC001052792122 765129997 /nfs/dbraw/zinc/12/99/97/765129997.db2.gz LHTXMMXIRNJKRG-ZFWWWQNUSA-N 1 1 346.435 0.186 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000992006176 765132560 /nfs/dbraw/zinc/13/25/60/765132560.db2.gz QNBIMZMKYBEBTD-OPFPJEHXSA-N 1 1 343.431 0.853 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CC1 ZINC001015659820 765135021 /nfs/dbraw/zinc/13/50/21/765135021.db2.gz LCCFWIPRTHLPPP-MRXNPFEDSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CC1 ZINC001015659820 765135026 /nfs/dbraw/zinc/13/50/26/765135026.db2.gz LCCFWIPRTHLPPP-MRXNPFEDSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC001052796572 765137011 /nfs/dbraw/zinc/13/70/11/765137011.db2.gz SEVFASXNZMHRDI-CQSZACIVSA-N 1 1 341.415 0.939 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001015675601 765147523 /nfs/dbraw/zinc/14/75/23/765147523.db2.gz BVELIZVRADQJLP-ZDUSSCGKSA-N 1 1 334.420 0.475 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CCNC1=O ZINC001015695519 765176555 /nfs/dbraw/zinc/17/65/55/765176555.db2.gz LLBXBULPWLZOPU-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CCNC1=O ZINC001015695519 765176557 /nfs/dbraw/zinc/17/65/57/765176557.db2.gz LLBXBULPWLZOPU-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CCNC1=O ZINC001015696110 765179414 /nfs/dbraw/zinc/17/94/14/765179414.db2.gz VEXYNUQPWCYGOR-CRAIPNDOSA-N 1 1 326.400 0.775 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000992030034 765208961 /nfs/dbraw/zinc/20/89/61/765208961.db2.gz WSIGYWHAAVTKJC-KMFMINBZSA-N 1 1 335.448 0.779 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 ZINC001015711594 765212399 /nfs/dbraw/zinc/21/23/99/765212399.db2.gz LSUTYKIDSRIMIQ-IMJJTQAJSA-N 1 1 342.399 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3nc[nH]n3)CC2)C1=O ZINC001052854146 765234817 /nfs/dbraw/zinc/23/48/17/765234817.db2.gz YNUGXDVNAOTBCR-KBPBESRZSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3nnc[nH]3)CC2)C1=O ZINC001052854146 765234821 /nfs/dbraw/zinc/23/48/21/765234821.db2.gz YNUGXDVNAOTBCR-KBPBESRZSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3nnc[nH]3)CC2)C1=O ZINC001052854146 765234824 /nfs/dbraw/zinc/23/48/24/765234824.db2.gz YNUGXDVNAOTBCR-KBPBESRZSA-N 1 1 346.435 0.105 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001052865376 765250249 /nfs/dbraw/zinc/25/02/49/765250249.db2.gz NBRNZBQLBOMGID-NSHDSACASA-N 1 1 334.376 0.504 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)nc1 ZINC001052873096 765270384 /nfs/dbraw/zinc/27/03/84/765270384.db2.gz ACQQRTPYPAAWKN-ZBFHGGJFSA-N 1 1 328.416 0.911 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(C)[nH]c3=O)C2)C1=O ZINC001015757077 765273296 /nfs/dbraw/zinc/27/32/96/765273296.db2.gz FAOFWKQOEFQUPR-UKRRQHHQSA-N 1 1 344.415 0.687 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C)[nH]c3=O)C2)C1=O ZINC001015757077 765273301 /nfs/dbraw/zinc/27/33/01/765273301.db2.gz FAOFWKQOEFQUPR-UKRRQHHQSA-N 1 1 344.415 0.687 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCS(C)(=O)=O)CC2)nc1 ZINC001052876428 765278277 /nfs/dbraw/zinc/27/82/77/765278277.db2.gz VXLLTHCEOPPRQH-HNNXBMFYSA-N 1 1 349.456 0.692 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCS(C)(=O)=O)CC2)nc1 ZINC001052876428 765278281 /nfs/dbraw/zinc/27/82/81/765278281.db2.gz VXLLTHCEOPPRQH-HNNXBMFYSA-N 1 1 349.456 0.692 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001052920642 765349476 /nfs/dbraw/zinc/34/94/76/765349476.db2.gz BSWVVDKYYHXSIU-LBPRGKRZSA-N 1 1 327.812 0.859 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001052921875 765351605 /nfs/dbraw/zinc/35/16/05/765351605.db2.gz KZXHPWGSNZAFHQ-HZSPNIEDSA-N 1 1 328.420 0.488 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001052922428 765353036 /nfs/dbraw/zinc/35/30/36/765353036.db2.gz UXISFJDMHFAHRW-MGPQQGTHSA-N 1 1 328.420 0.488 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO[C@H]3CC3(F)F)C2)nn1 ZINC001015809412 765367164 /nfs/dbraw/zinc/36/71/64/765367164.db2.gz AEWPXWLLQVTFTQ-YPMHNXCESA-N 1 1 341.362 0.692 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCO[C@H]3CC3(F)F)C2)nn1 ZINC001015809412 765367175 /nfs/dbraw/zinc/36/71/75/765367175.db2.gz AEWPXWLLQVTFTQ-YPMHNXCESA-N 1 1 341.362 0.692 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO[C@@H]3CC3(F)F)C2)nn1 ZINC001015809408 765367601 /nfs/dbraw/zinc/36/76/01/765367601.db2.gz AEWPXWLLQVTFTQ-DGCLKSJQSA-N 1 1 341.362 0.692 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)C2)nn1 ZINC001015809408 765367605 /nfs/dbraw/zinc/36/76/05/765367605.db2.gz AEWPXWLLQVTFTQ-DGCLKSJQSA-N 1 1 341.362 0.692 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001015819187 765380556 /nfs/dbraw/zinc/38/05/56/765380556.db2.gz BCZJTVFQGFEJGT-OAHLLOKOSA-N 1 1 343.435 0.900 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001015819187 765380565 /nfs/dbraw/zinc/38/05/65/765380565.db2.gz BCZJTVFQGFEJGT-OAHLLOKOSA-N 1 1 343.435 0.900 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCCC3=O)C2)nn1 ZINC001015820205 765382679 /nfs/dbraw/zinc/38/26/79/765382679.db2.gz CTNXLHVGTPKBAE-CQSZACIVSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)nn1 ZINC001015820205 765382686 /nfs/dbraw/zinc/38/26/86/765382686.db2.gz CTNXLHVGTPKBAE-CQSZACIVSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001015820636 765383490 /nfs/dbraw/zinc/38/34/90/765383490.db2.gz JUDYJYVMBTVTAE-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001015820636 765383496 /nfs/dbraw/zinc/38/34/96/765383496.db2.gz JUDYJYVMBTVTAE-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001015821311 765383937 /nfs/dbraw/zinc/38/39/37/765383937.db2.gz TUYXTVFZTVHMFT-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001015821311 765383941 /nfs/dbraw/zinc/38/39/41/765383941.db2.gz TUYXTVFZTVHMFT-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C2)cc1 ZINC001015837182 765411156 /nfs/dbraw/zinc/41/11/56/765411156.db2.gz OMGVFSUMLCWMQS-OAHLLOKOSA-N 1 1 340.383 0.302 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C3(C)CCOCC3)C2)C1=O ZINC001015854847 765446470 /nfs/dbraw/zinc/44/64/70/765446470.db2.gz HJZTZSWLSJURHA-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C3(C)CCOCC3)C2)C1=O ZINC001015854847 765446474 /nfs/dbraw/zinc/44/64/74/765446474.db2.gz HJZTZSWLSJURHA-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+](CC(N)=O)C3)C2)c[nH]1 ZINC001053013490 765485268 /nfs/dbraw/zinc/48/52/68/765485268.db2.gz QZXIJBYTWLEOEL-KBPBESRZSA-N 1 1 343.431 0.936 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnc(C)c3)C2)C1=O ZINC001015878365 765486241 /nfs/dbraw/zinc/48/62/41/765486241.db2.gz FFZQMLIFECKZPG-JKSUJKDBSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(C)c3)C2)C1=O ZINC001015878365 765486246 /nfs/dbraw/zinc/48/62/46/765486246.db2.gz FFZQMLIFECKZPG-JKSUJKDBSA-N 1 1 328.416 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001053037318 765513821 /nfs/dbraw/zinc/51/38/21/765513821.db2.gz YMJQTWSJOTWLEY-DLBZAZTESA-N 1 1 346.475 0.002 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001053046880 765524523 /nfs/dbraw/zinc/52/45/23/765524523.db2.gz NYUGICDPDNKOFD-GJZGRUSLSA-N 1 1 348.447 0.675 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001053051426 765527623 /nfs/dbraw/zinc/52/76/23/765527623.db2.gz MNXMFWIYCCQZTQ-GJZGRUSLSA-N 1 1 348.447 0.675 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001015968690 765638360 /nfs/dbraw/zinc/63/83/60/765638360.db2.gz GASMCOBEZCIXAM-KBPBESRZSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001015968690 765638365 /nfs/dbraw/zinc/63/83/65/765638365.db2.gz GASMCOBEZCIXAM-KBPBESRZSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnn(CC)c3)C2)C1=O ZINC001015976011 765651407 /nfs/dbraw/zinc/65/14/07/765651407.db2.gz ZPVJKBGSBVOUAD-HOTGVXAUSA-N 1 1 345.447 0.423 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cnn(CC)c3)C2)C1=O ZINC001015976011 765651409 /nfs/dbraw/zinc/65/14/09/765651409.db2.gz ZPVJKBGSBVOUAD-HOTGVXAUSA-N 1 1 345.447 0.423 20 30 ECEDMO C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(C#N)[nH]1 ZINC001077496507 765665685 /nfs/dbraw/zinc/66/56/85/765665685.db2.gz AFUXWLJBUQTQDY-QWHCGFSZSA-N 1 1 331.420 0.853 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCNC1=O ZINC001089162435 765698830 /nfs/dbraw/zinc/69/88/30/765698830.db2.gz UPINSKARYZDGFU-LSDHHAIUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)nc3C)C2)nc1 ZINC001016015585 765721653 /nfs/dbraw/zinc/72/16/53/765721653.db2.gz BAPDAUUKXQGNMT-INIZCTEOSA-N 1 1 338.415 0.776 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001016021277 765726364 /nfs/dbraw/zinc/72/63/64/765726364.db2.gz XVGYUECNBKKABK-CABCVRRESA-N 1 1 329.400 0.934 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC001016032159 765734248 /nfs/dbraw/zinc/73/42/48/765734248.db2.gz WYZJPISEQCTRCP-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC001016032159 765734255 /nfs/dbraw/zinc/73/42/55/765734255.db2.gz WYZJPISEQCTRCP-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12 ZINC000992168218 765739735 /nfs/dbraw/zinc/73/97/35/765739735.db2.gz CVTYUAINBSKFEL-BASYENTBSA-N 1 1 333.432 0.369 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001106103961 765747050 /nfs/dbraw/zinc/74/70/50/765747050.db2.gz FJJUVGMVIYNRED-IUODEOHRSA-N 1 1 331.420 0.493 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@H]12 ZINC000992172279 765767934 /nfs/dbraw/zinc/76/79/34/765767934.db2.gz OCTYPENUNKBXGK-PASDCYSWSA-N 1 1 347.459 0.759 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ncccc3OC)C2)C1=O ZINC001016093213 765774004 /nfs/dbraw/zinc/77/40/04/765774004.db2.gz NXSPNIGVCUUNPB-ZIAGYGMSSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ncccc3OC)C2)C1=O ZINC001016093213 765774006 /nfs/dbraw/zinc/77/40/06/765774006.db2.gz NXSPNIGVCUUNPB-ZIAGYGMSSA-N 1 1 344.415 0.681 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCCO4)C3)C2)[nH]1 ZINC001053223524 765786468 /nfs/dbraw/zinc/78/64/68/765786468.db2.gz AILWDXWQJARGQL-HNNXBMFYSA-N 1 1 344.415 0.982 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001099125510 765806267 /nfs/dbraw/zinc/80/62/67/765806267.db2.gz HCWVKKAIUTYZGQ-CQSZACIVSA-N 1 1 338.452 0.032 20 30 ECEDMO C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263657 765865770 /nfs/dbraw/zinc/86/57/70/765865770.db2.gz UASHZFZPXZRIFD-CVEARBPZSA-N 1 1 335.448 0.339 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)[C@H]2CCCO2)C1 ZINC000992208594 765903139 /nfs/dbraw/zinc/90/31/39/765903139.db2.gz RBBLXJNNFDPJPI-SSHXOBKSSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)[C@H]2CCCO2)C1 ZINC000992208594 765903143 /nfs/dbraw/zinc/90/31/43/765903143.db2.gz RBBLXJNNFDPJPI-SSHXOBKSSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCOC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001053291526 765920346 /nfs/dbraw/zinc/92/03/46/765920346.db2.gz VLOVQDHIXUEJRT-SJORKVTESA-N 1 1 347.459 0.034 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCN(C)C1=O)CCO2 ZINC001053298169 765928862 /nfs/dbraw/zinc/92/88/62/765928862.db2.gz JDEKBGHIBCIHFO-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H](OC)[C@H]1CCOC1)CCO2 ZINC001053356964 766025115 /nfs/dbraw/zinc/02/51/15/766025115.db2.gz QRNUQAUYLQSVLW-HOTGVXAUSA-N 1 1 338.448 0.917 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC000992242629 766028158 /nfs/dbraw/zinc/02/81/58/766028158.db2.gz RTVQSPWEIWDNRX-OLMMMNRUSA-N 1 1 347.459 0.969 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CCO2 ZINC001053429876 766120570 /nfs/dbraw/zinc/12/05/70/766120570.db2.gz AXGTUTMDQANMTF-CABCVRRESA-N 1 1 335.448 0.767 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)n(C)c1=O ZINC001016353048 766170531 /nfs/dbraw/zinc/17/05/31/766170531.db2.gz FWQNRUJLDFNNFE-OAHLLOKOSA-N 1 1 339.399 0.600 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001016370604 766194943 /nfs/dbraw/zinc/19/49/43/766194943.db2.gz AKXMIUMMGXAAGC-UHFFFAOYSA-N 1 1 340.387 0.811 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3nnnc3C(C)C)CCC[C@@H]12 ZINC000992307359 766226942 /nfs/dbraw/zinc/22/69/42/766226942.db2.gz RMTXNBIRYYUQIQ-RHSMWYFYSA-N 1 1 330.436 0.933 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCN(C)S3(=O)=O)CCC[C@@H]12 ZINC000992312348 766243218 /nfs/dbraw/zinc/24/32/18/766243218.db2.gz PMRFEJNROBEPAL-IIAWOOMASA-N 1 1 339.461 0.157 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2ccccn2c1=O ZINC001017782107 768365219 /nfs/dbraw/zinc/36/52/19/768365219.db2.gz SAQCLMYMPJKMHJ-GASCZTMLSA-N 1 1 339.399 0.195 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@H]2C[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC001089253803 766274667 /nfs/dbraw/zinc/27/46/67/766274667.db2.gz QUHXTBODHDCEKG-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016429369 766283316 /nfs/dbraw/zinc/28/33/16/766283316.db2.gz GNISARMVUMGECJ-CVEARBPZSA-N 1 1 339.395 0.281 20 30 ECEDMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016429369 766283320 /nfs/dbraw/zinc/28/33/20/766283320.db2.gz GNISARMVUMGECJ-CVEARBPZSA-N 1 1 339.395 0.281 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)N1CCOCC1 ZINC001016435853 766295960 /nfs/dbraw/zinc/29/59/60/766295960.db2.gz HSDQVGHMWJEINV-PKOBYXMFSA-N 1 1 341.455 0.949 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)N1CCOCC1 ZINC001016435853 766295964 /nfs/dbraw/zinc/29/59/64/766295964.db2.gz HSDQVGHMWJEINV-PKOBYXMFSA-N 1 1 341.455 0.949 20 30 ECEDMO C[NH+](C)[C@@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)c1ccccc1 ZINC001053542758 766309382 /nfs/dbraw/zinc/30/93/82/766309382.db2.gz OKCGWIAPBBOAMD-MRXNPFEDSA-N 1 1 328.416 0.726 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)c3cn(C)nn3)C2)cc1C#N ZINC001031649534 766342736 /nfs/dbraw/zinc/34/27/36/766342736.db2.gz FGXODDHWUJGDTP-UHFFFAOYSA-N 1 1 340.387 0.557 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@H]12 ZINC000992348758 766342810 /nfs/dbraw/zinc/34/28/10/766342810.db2.gz XOJZSMBWSSBSLD-PLNSWCQBSA-N 1 1 332.404 0.274 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001045772504 766349643 /nfs/dbraw/zinc/34/96/43/766349643.db2.gz HFKBRRZMBVUSJN-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001045783011 766365498 /nfs/dbraw/zinc/36/54/98/766365498.db2.gz OQIULNNEJCSHRW-RHSMWYFYSA-N 1 1 337.464 0.620 20 30 ECEDMO CO[C@@H](C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)O2 ZINC001053593699 766390697 /nfs/dbraw/zinc/39/06/97/766390697.db2.gz RMAIFQCGPWUPJJ-JSGCOSHPSA-N 1 1 332.404 0.884 20 30 ECEDMO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)O2 ZINC001053606466 766420997 /nfs/dbraw/zinc/42/09/97/766420997.db2.gz KVYUYEVTSLKRJO-DLBZAZTESA-N 1 1 333.476 0.947 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)C1 ZINC001053607520 766423107 /nfs/dbraw/zinc/42/31/07/766423107.db2.gz YEZGDPUBZUMDNW-JKSUJKDBSA-N 1 1 334.464 0.837 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@@H]12 ZINC000992375920 766426387 /nfs/dbraw/zinc/42/63/87/766426387.db2.gz FKNIKTHRTDMTQG-FZKQIMNGSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc(C)c(C)[nH]c1=O)O2 ZINC001053615775 766439521 /nfs/dbraw/zinc/43/95/21/766439521.db2.gz RMCQGZOCXDCDEV-CQSZACIVSA-N 1 1 344.415 0.786 20 30 ECEDMO C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)O2 ZINC001053617738 766443133 /nfs/dbraw/zinc/44/31/33/766443133.db2.gz GDENQPCPKXNQJH-BZUAXINKSA-N 1 1 337.464 0.631 20 30 ECEDMO C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)O2 ZINC001053617738 766443140 /nfs/dbraw/zinc/44/31/40/766443140.db2.gz GDENQPCPKXNQJH-BZUAXINKSA-N 1 1 337.464 0.631 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)O2 ZINC001053619219 766448122 /nfs/dbraw/zinc/44/81/22/766448122.db2.gz NMKMUYYGLBJWJM-GJZGRUSLSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn3cccnc3n1)O2 ZINC001053620263 766453344 /nfs/dbraw/zinc/45/33/44/766453344.db2.gz IZZGYCPUYZVYIU-AWEZNQCLSA-N 1 1 339.399 0.716 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 ZINC001053621380 766458469 /nfs/dbraw/zinc/45/84/69/766458469.db2.gz DZXLRMXTECSSBE-JKSUJKDBSA-N 1 1 334.464 0.980 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992396404 766473575 /nfs/dbraw/zinc/47/35/75/766473575.db2.gz LZPZFAFNSJVXLX-CXAGYDPISA-N 1 1 334.420 0.570 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001045924038 766496944 /nfs/dbraw/zinc/49/69/44/766496944.db2.gz GGHQJGDQFOIPRQ-DYVFJYSZSA-N 1 1 346.435 0.473 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001045924038 766496947 /nfs/dbraw/zinc/49/69/47/766496947.db2.gz GGHQJGDQFOIPRQ-DYVFJYSZSA-N 1 1 346.435 0.473 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CN=NC1=O)C2 ZINC001045928953 766500259 /nfs/dbraw/zinc/50/02/59/766500259.db2.gz BPXPMIXROZBZLN-QGZVFWFLSA-N 1 1 331.420 0.712 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649515 766511165 /nfs/dbraw/zinc/51/11/65/766511165.db2.gz OBEBNCHXRLNDFV-IAGOWNOFSA-N 1 1 349.475 0.469 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C2CC(NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC001016579127 766529239 /nfs/dbraw/zinc/52/92/39/766529239.db2.gz ODZYIJKARJHDDE-GALLPEHLSA-N 1 1 343.431 0.946 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)N(C)C)CC3)nc1 ZINC000992423577 766540583 /nfs/dbraw/zinc/54/05/83/766540583.db2.gz QVWOFLMYRWNWQA-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cnnn1)C2 ZINC001045975334 766546944 /nfs/dbraw/zinc/54/69/44/766546944.db2.gz AJJPWJJCFCRFOU-KRWDZBQOSA-N 1 1 330.436 0.791 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc4n(c3=O)CCCC4)CCC[C@@H]12 ZINC000992435549 766563289 /nfs/dbraw/zinc/56/32/89/766563289.db2.gz VWQFTEKGLYEPRM-KDOFPFPSSA-N 1 1 343.431 0.128 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](n3cc(CNCC)nn3)C2)CC1 ZINC001089593663 766574516 /nfs/dbraw/zinc/57/45/16/766574516.db2.gz PXEIKBSIQGJWBG-QGZVFWFLSA-N 1 1 344.463 0.506 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](N3CCN(C(=O)C(C)C)CC3)C2)C1=O ZINC001046005604 766614016 /nfs/dbraw/zinc/61/40/16/766614016.db2.gz VMRWRPJBXWMOTJ-DLBZAZTESA-N 1 1 348.491 0.648 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncc(C(N)=O)c1)O2 ZINC001053700410 766619354 /nfs/dbraw/zinc/61/93/54/766619354.db2.gz UFVWRYVFUWHUFQ-HNNXBMFYSA-N 1 1 342.399 0.167 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](CCOC3CCC3)C2)CC1 ZINC001046012043 766638543 /nfs/dbraw/zinc/63/85/43/766638543.db2.gz JUWSWNKEOSDTOM-CVEARBPZSA-N 1 1 334.464 0.934 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)c3nccnc3N)CC2)C1 ZINC001046014234 766645088 /nfs/dbraw/zinc/64/50/88/766645088.db2.gz SACAKFAJOZNNDW-HNNXBMFYSA-N 1 1 344.463 0.857 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046017007 766652650 /nfs/dbraw/zinc/65/26/50/766652650.db2.gz JQZYFOOKZMFUGQ-ZFWWWQNUSA-N 1 1 331.420 0.099 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@H]12 ZINC000992472101 766653231 /nfs/dbraw/zinc/65/32/31/766653231.db2.gz IFLPHOAIOFUZQB-KBXCAEBGSA-N 1 1 348.447 0.960 20 30 ECEDMO COCC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046017422 766653254 /nfs/dbraw/zinc/65/32/54/766653254.db2.gz MITQDMNVCSHZHY-HNNXBMFYSA-N 1 1 331.420 0.365 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC001046020319 766662509 /nfs/dbraw/zinc/66/25/09/766662509.db2.gz QJAPQKBOZRISFD-SJORKVTESA-N 1 1 348.491 0.697 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 ZINC001046020918 766664993 /nfs/dbraw/zinc/66/49/93/766664993.db2.gz YWCGMGACHOIGDV-JKSUJKDBSA-N 1 1 333.432 0.181 20 30 ECEDMO COC[C@@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046021557 766665823 /nfs/dbraw/zinc/66/58/23/766665823.db2.gz JTQQAULWXFENGM-PBHICJAKSA-N 1 1 345.447 0.753 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccnn3C)CC2)C1 ZINC001046022873 766671298 /nfs/dbraw/zinc/67/12/98/766671298.db2.gz ZUXPGVFKFCFIKX-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@@H](OCC)C2CC2)C[C@H]1OC ZINC001212262204 766675610 /nfs/dbraw/zinc/67/56/10/766675610.db2.gz GXKOPNZBNMQKBJ-BRWVUGGUSA-N 1 1 338.448 0.657 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nccn3CC)CC2)C1 ZINC001046024854 766677480 /nfs/dbraw/zinc/67/74/80/766677480.db2.gz CDDLOQJNVJFSRN-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc(C)[nH]3)CC2)C1 ZINC001046026769 766684689 /nfs/dbraw/zinc/68/46/89/766684689.db2.gz FZOFVIVXNOHSFZ-HNNXBMFYSA-N 1 1 332.452 0.450 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnc(CC)s2)C1 ZINC000994750639 766686979 /nfs/dbraw/zinc/68/69/79/766686979.db2.gz AYXMLCMCUXAKAM-ZDUSSCGKSA-N 1 1 346.456 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnc(CC)s2)C1 ZINC000994750639 766686983 /nfs/dbraw/zinc/68/69/83/766686983.db2.gz AYXMLCMCUXAKAM-ZDUSSCGKSA-N 1 1 346.456 0.744 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ncccc2F)C1 ZINC000994750748 766687284 /nfs/dbraw/zinc/68/72/84/766687284.db2.gz CGTIVPUPHSKALL-INIZCTEOSA-N 1 1 344.390 0.188 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ncccc2F)C1 ZINC000994750748 766687291 /nfs/dbraw/zinc/68/72/91/766687291.db2.gz CGTIVPUPHSKALL-INIZCTEOSA-N 1 1 344.390 0.188 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 ZINC001046027942 766689042 /nfs/dbraw/zinc/68/90/42/766689042.db2.gz UADRPMNZTNKUHP-SJORKVTESA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cn(C)nc2Cl)C1 ZINC000994750998 766694703 /nfs/dbraw/zinc/69/47/03/766694703.db2.gz KNPLAWBKUFXHGU-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cn(C)nc2Cl)C1 ZINC000994750998 766694707 /nfs/dbraw/zinc/69/47/07/766694707.db2.gz KNPLAWBKUFXHGU-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2coc(CCC)n2)C1 ZINC000994751039 766696165 /nfs/dbraw/zinc/69/61/65/766696165.db2.gz LSFUNCHPCWYCLE-HNNXBMFYSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2coc(CCC)n2)C1 ZINC000994751039 766696168 /nfs/dbraw/zinc/69/61/68/766696168.db2.gz LSFUNCHPCWYCLE-HNNXBMFYSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C4CCC4)nn3)CC2)C1 ZINC001046030380 766696364 /nfs/dbraw/zinc/69/63/64/766696364.db2.gz PWBNGGILOAVCHD-INIZCTEOSA-N 1 1 342.447 0.468 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC001046030286 766696643 /nfs/dbraw/zinc/69/66/43/766696643.db2.gz NTUARKJHKKKSOX-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cccnc2)C1 ZINC000994751114 766696708 /nfs/dbraw/zinc/69/67/08/766696708.db2.gz MUNCNPWDEHJGJB-INIZCTEOSA-N 1 1 326.400 0.049 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cccnc2)C1 ZINC000994751114 766696716 /nfs/dbraw/zinc/69/67/16/766696716.db2.gz MUNCNPWDEHJGJB-INIZCTEOSA-N 1 1 326.400 0.049 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2coc(CC)n2)C1 ZINC000994752601 766702515 /nfs/dbraw/zinc/70/25/15/766702515.db2.gz SYNAJQWMXUIJHO-AWEZNQCLSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2coc(CC)n2)C1 ZINC000994752601 766702522 /nfs/dbraw/zinc/70/25/22/766702522.db2.gz SYNAJQWMXUIJHO-AWEZNQCLSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)c3ccnn3C)CC2)C1 ZINC001046031718 766702870 /nfs/dbraw/zinc/70/28/70/766702870.db2.gz UNKQRYOZRYYALM-SJORKVTESA-N 1 1 343.475 0.765 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)nnc3C)CC2)C1 ZINC001046032367 766704111 /nfs/dbraw/zinc/70/41/11/766704111.db2.gz CCUCXZDCEKFOOO-QGZVFWFLSA-N 1 1 341.459 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C3CC3)no2)C1 ZINC000994754155 766705333 /nfs/dbraw/zinc/70/53/33/766705333.db2.gz JQTGQTQQGZNTLI-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C3CC3)no2)C1 ZINC000994754155 766705339 /nfs/dbraw/zinc/70/53/39/766705339.db2.gz JQTGQTQQGZNTLI-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046032631 766705482 /nfs/dbraw/zinc/70/54/82/766705482.db2.gz GUFQBTCNWYRZDA-INIZCTEOSA-N 1 1 332.452 0.463 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccn(CC)n3)CC2)C1 ZINC001046033668 766710199 /nfs/dbraw/zinc/71/01/99/766710199.db2.gz YKLXODWMVDMYGZ-QGZVFWFLSA-N 1 1 331.464 0.850 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)C1 ZINC001046034267 766713040 /nfs/dbraw/zinc/71/30/40/766713040.db2.gz QSKQHIBXDSMESD-HNNXBMFYSA-N 1 1 338.415 0.423 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCn3ccccc3=O)CC2)C1 ZINC001046034224 766713099 /nfs/dbraw/zinc/71/30/99/766713099.db2.gz RVEAMNCTIYTBMX-QGZVFWFLSA-N 1 1 342.443 0.090 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCn2cc(C)cn2)C1 ZINC000994755215 766714410 /nfs/dbraw/zinc/71/44/10/766714410.db2.gz QMWPELBDNKANRL-INIZCTEOSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCn2cc(C)cn2)C1 ZINC000994755215 766714415 /nfs/dbraw/zinc/71/44/15/766714415.db2.gz QMWPELBDNKANRL-INIZCTEOSA-N 1 1 343.431 0.006 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046035202 766719467 /nfs/dbraw/zinc/71/94/67/766719467.db2.gz GVPINMQZVZOOQH-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 ZINC001046035875 766723139 /nfs/dbraw/zinc/72/31/39/766723139.db2.gz VAQGXOMSABLBFD-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC000994756182 766724222 /nfs/dbraw/zinc/72/42/22/766724222.db2.gz UWXUERUYWTVQDK-ULQDDVLXSA-N 1 1 345.443 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC000994756182 766724228 /nfs/dbraw/zinc/72/42/28/766724228.db2.gz UWXUERUYWTVQDK-ULQDDVLXSA-N 1 1 345.443 0.392 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046037098 766731182 /nfs/dbraw/zinc/73/11/82/766731182.db2.gz LZGNRRSZVKVCQI-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046037090 766731325 /nfs/dbraw/zinc/73/13/25/766731325.db2.gz LVMCWAPLGPKJML-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1 ZINC001046037605 766735037 /nfs/dbraw/zinc/73/50/37/766735037.db2.gz UMISVPNHIWOJKX-CQSZACIVSA-N 1 1 331.420 0.279 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)C1 ZINC001046039406 766742487 /nfs/dbraw/zinc/74/24/87/766742487.db2.gz XUFQEGGEVBASBS-HUUCEWRRSA-N 1 1 343.493 0.214 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OCC)n[nH]3)CC2)C1 ZINC001046039818 766743317 /nfs/dbraw/zinc/74/33/17/766743317.db2.gz YSMHQCVRNDZYOG-CQSZACIVSA-N 1 1 331.420 0.274 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046040481 766748088 /nfs/dbraw/zinc/74/80/88/766748088.db2.gz JSIJLVBGWNINQA-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnn4c3CCC4)C2)C1=O ZINC001031717971 766748232 /nfs/dbraw/zinc/74/82/32/766748232.db2.gz QKWJVXWWRQUOQI-MRXNPFEDSA-N 1 1 343.431 0.278 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnnc3C)CC2)C1 ZINC001046040952 766749874 /nfs/dbraw/zinc/74/98/74/766749874.db2.gz ALHLIWGLACPPFL-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccn4cncc4c3)CC2)C1 ZINC001046041465 766752440 /nfs/dbraw/zinc/75/24/40/766752440.db2.gz JZROXSULVGMCNZ-KRWDZBQOSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn4cncc4c3)CC2)C1 ZINC001046041465 766752444 /nfs/dbraw/zinc/75/24/44/766752444.db2.gz JZROXSULVGMCNZ-KRWDZBQOSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nncn4C3)CCC[C@H]12 ZINC000992513459 766752818 /nfs/dbraw/zinc/75/28/18/766752818.db2.gz VUZPLAJQKPDUTO-RLFYNMQTSA-N 1 1 327.432 0.977 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001046044199 766766546 /nfs/dbraw/zinc/76/65/46/766766546.db2.gz KACIZBNZWIBTPZ-CYBMUJFWSA-N 1 1 332.404 0.397 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(OC)nc3)CC2)C1 ZINC001046044744 766767138 /nfs/dbraw/zinc/76/71/38/766767138.db2.gz QJCYNSMLRIUAGY-KRWDZBQOSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001046044739 766767685 /nfs/dbraw/zinc/76/76/85/766767685.db2.gz QCLHAMUOBZVHBP-CQSZACIVSA-N 1 1 346.431 0.787 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3nccn3C)CC2)C1 ZINC001046046786 766775703 /nfs/dbraw/zinc/77/57/03/766775703.db2.gz DJIPDCHOIDDDDG-QGZVFWFLSA-N 1 1 343.475 0.595 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC001046047054 766776657 /nfs/dbraw/zinc/77/66/57/766776657.db2.gz IAQQGYYJHLKHTP-INIZCTEOSA-N 1 1 332.452 0.245 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccn4nnnc4c3)CC2)C1 ZINC001046050155 766785534 /nfs/dbraw/zinc/78/55/34/766785534.db2.gz GDLFCHWZQDDVMZ-OAHLLOKOSA-N 1 1 341.419 0.142 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C(N)=O)nc3)CCC[C@H]12 ZINC000992532566 766788769 /nfs/dbraw/zinc/78/87/69/766788769.db2.gz MPOMVWJFYTUDGD-YJBOKZPZSA-N 1 1 326.400 0.931 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)cc1 ZINC001046050793 766788901 /nfs/dbraw/zinc/78/89/01/766788901.db2.gz PWOSLKDHIRRGBE-SFHVURJKSA-N 1 1 327.428 0.492 20 30 ECEDMO CC[C@H](C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C#N)[nH]1)CO2)OC ZINC001053774045 766806960 /nfs/dbraw/zinc/80/69/60/766806960.db2.gz QOACBJCYEBACSC-ZIAGYGMSSA-N 1 1 332.404 0.884 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046056092 766809641 /nfs/dbraw/zinc/80/96/41/766809641.db2.gz UVYIAZYKQVXXHQ-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccnc(OC)c3)CC2)C1 ZINC001046064319 766842670 /nfs/dbraw/zinc/84/26/70/766842670.db2.gz KYAGSYJFPVRQDH-QGZVFWFLSA-N 1 1 342.443 0.484 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)C1 ZINC001046065298 766849820 /nfs/dbraw/zinc/84/98/20/766849820.db2.gz KFFMEDUUNOVWHU-HNNXBMFYSA-N 1 1 329.448 0.998 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)C1 ZINC001046065298 766849831 /nfs/dbraw/zinc/84/98/31/766849831.db2.gz KFFMEDUUNOVWHU-HNNXBMFYSA-N 1 1 329.448 0.998 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)C1 ZINC001046065298 766849841 /nfs/dbraw/zinc/84/98/41/766849841.db2.gz KFFMEDUUNOVWHU-HNNXBMFYSA-N 1 1 329.448 0.998 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@H]12 ZINC000992552650 766854551 /nfs/dbraw/zinc/85/45/51/766854551.db2.gz YFVLTRSKOHFCCK-MQIPJXDCSA-N 1 1 339.823 0.905 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@H]12 ZINC000992552650 766854561 /nfs/dbraw/zinc/85/45/61/766854561.db2.gz YFVLTRSKOHFCCK-MQIPJXDCSA-N 1 1 339.823 0.905 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC001046068537 766862777 /nfs/dbraw/zinc/86/27/77/766862777.db2.gz NQCZFNMIEPZEMR-HNNXBMFYSA-N 1 1 345.447 0.893 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(CCOC)nn1)CO2 ZINC001053796242 766868091 /nfs/dbraw/zinc/86/80/91/766868091.db2.gz FBKFSOKWIPUFMM-CYBMUJFWSA-N 1 1 335.408 0.074 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046069667 766870264 /nfs/dbraw/zinc/87/02/64/766870264.db2.gz JRAPZQLCWWLIOM-FUHWJXTLSA-N 1 1 343.475 0.830 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046069667 766870272 /nfs/dbraw/zinc/87/02/72/766870272.db2.gz JRAPZQLCWWLIOM-FUHWJXTLSA-N 1 1 343.475 0.830 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046069667 766870279 /nfs/dbraw/zinc/87/02/79/766870279.db2.gz JRAPZQLCWWLIOM-FUHWJXTLSA-N 1 1 343.475 0.830 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)n[nH]c3C)CC2)C1 ZINC001046072275 766880921 /nfs/dbraw/zinc/88/09/21/766880921.db2.gz VWOPCFJVXWPWCQ-INIZCTEOSA-N 1 1 329.448 0.882 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC001046072790 766883288 /nfs/dbraw/zinc/88/32/88/766883288.db2.gz NEIHFWHLKSJSDC-HNNXBMFYSA-N 1 1 345.447 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC)C[C@]2(C)C1 ZINC000992561465 766888312 /nfs/dbraw/zinc/88/83/12/766888312.db2.gz ITKIMTYKPKGEEA-RLFYNMQTSA-N 1 1 349.500 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC)C[C@]2(C)C1 ZINC000992561465 766888319 /nfs/dbraw/zinc/88/83/19/766888319.db2.gz ITKIMTYKPKGEEA-RLFYNMQTSA-N 1 1 349.500 0.754 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]cnc3C)CC2)C1 ZINC001046080281 766916625 /nfs/dbraw/zinc/91/66/25/766916625.db2.gz DZNVBLRSEIXNOX-INIZCTEOSA-N 1 1 329.448 0.502 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cc(C(N)=O)ccn3)CCC[C@H]12 ZINC000992573416 766918252 /nfs/dbraw/zinc/91/82/52/766918252.db2.gz NDROYQZGSOLORK-MAUKXSAKSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC001046081460 766919279 /nfs/dbraw/zinc/91/92/79/766919279.db2.gz ZPBMHHZCGKUNKF-AWEZNQCLSA-N 1 1 326.404 0.128 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)C1 ZINC001046081933 766921014 /nfs/dbraw/zinc/92/10/14/766921014.db2.gz MHOZHRIJITUZGV-INIZCTEOSA-N 1 1 329.448 0.421 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncnc3CC)CC2)C1 ZINC001046084560 766925142 /nfs/dbraw/zinc/92/51/42/766925142.db2.gz SVVOHQNTNOHWIU-INIZCTEOSA-N 1 1 341.459 0.894 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC001046085555 766926728 /nfs/dbraw/zinc/92/67/28/766926728.db2.gz BELNCHPIZQYKKQ-WMZOPIPTSA-N 1 1 343.475 0.765 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)c(=O)n3C)CC2)C1 ZINC001046085430 766926759 /nfs/dbraw/zinc/92/67/59/766926759.db2.gz OCEQSEUCYJIJCY-OAHLLOKOSA-N 1 1 347.463 0.132 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC001046086514 766928520 /nfs/dbraw/zinc/92/85/20/766928520.db2.gz JJKGJGFIXNTHEL-ZWKOTPCHSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CN(CC)CCO3)CC2)C1 ZINC001046087647 766930115 /nfs/dbraw/zinc/93/01/15/766930115.db2.gz YSUXPQLFJZUSOJ-DLBZAZTESA-N 1 1 336.480 0.112 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC001046090509 766932478 /nfs/dbraw/zinc/93/24/78/766932478.db2.gz WXDFEWPZXRMPAC-INIZCTEOSA-N 1 1 332.452 0.152 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)C3CCOCC3)C2)C1=O ZINC001046097831 766934210 /nfs/dbraw/zinc/93/42/10/766934210.db2.gz IRPNELYICSYJOI-CRAIPNDOSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(OC)ns2)C1 ZINC001031740844 766986951 /nfs/dbraw/zinc/98/69/51/766986951.db2.gz LXKFOPBQNBYKBZ-HNNXBMFYSA-N 1 1 348.472 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(OC)ns2)C1 ZINC001031740844 766986958 /nfs/dbraw/zinc/98/69/58/766986958.db2.gz LXKFOPBQNBYKBZ-HNNXBMFYSA-N 1 1 348.472 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(CCn2cc(Cl)cn2)C1 ZINC001031741238 766989462 /nfs/dbraw/zinc/98/94/62/766989462.db2.gz UEUIJGFNFBSSRH-INIZCTEOSA-N 1 1 349.866 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CCn2cc(Cl)cn2)C1 ZINC001031741238 766989467 /nfs/dbraw/zinc/98/94/67/766989467.db2.gz UEUIJGFNFBSSRH-INIZCTEOSA-N 1 1 349.866 0.682 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(C)n(C)n2)C1 ZINC001031741349 766989686 /nfs/dbraw/zinc/98/96/86/766989686.db2.gz XBEFDAOOBXARLV-KRWDZBQOSA-N 1 1 329.448 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(C)n(C)n2)C1 ZINC001031741349 766989689 /nfs/dbraw/zinc/98/96/89/766989689.db2.gz XBEFDAOOBXARLV-KRWDZBQOSA-N 1 1 329.448 0.374 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(CN(C)C)on1)CO2 ZINC001053853475 767027611 /nfs/dbraw/zinc/02/76/11/767027611.db2.gz GQVISVMUUXUCCA-ZDUSSCGKSA-N 1 1 334.420 0.885 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046198229 767049805 /nfs/dbraw/zinc/04/98/05/767049805.db2.gz UAEBKFYXGQBDAY-QAPCUYQASA-N 1 1 326.400 0.917 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3ncnn31)CO2 ZINC001053859420 767050017 /nfs/dbraw/zinc/05/00/17/767050017.db2.gz IWKSBQIDKUOUEG-CYBMUJFWSA-N 1 1 327.388 0.879 20 30 ECEDMO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001046225859 767096819 /nfs/dbraw/zinc/09/68/19/767096819.db2.gz GZWHZIHBCXBGGF-DYVFJYSZSA-N 1 1 339.403 0.860 20 30 ECEDMO N#CCN1CC2(C1)C[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)CO2 ZINC001053873395 767098369 /nfs/dbraw/zinc/09/83/69/767098369.db2.gz XNKUXUSMEDKHNL-ZDUSSCGKSA-N 1 1 329.404 0.245 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046248201 767107678 /nfs/dbraw/zinc/10/76/78/767107678.db2.gz MUMLXRVJWDTKES-QAPCUYQASA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046248201 767107683 /nfs/dbraw/zinc/10/76/83/767107683.db2.gz MUMLXRVJWDTKES-QAPCUYQASA-N 1 1 341.415 0.867 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046248615 767108318 /nfs/dbraw/zinc/10/83/18/767108318.db2.gz QWCZJDWLDLXPLY-HKUYNNGSSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046248615 767108319 /nfs/dbraw/zinc/10/83/19/767108319.db2.gz QWCZJDWLDLXPLY-HKUYNNGSSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046248616 767108335 /nfs/dbraw/zinc/10/83/35/767108335.db2.gz QWCZJDWLDLXPLY-IEBWSBKVSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046248616 767108336 /nfs/dbraw/zinc/10/83/36/767108336.db2.gz QWCZJDWLDLXPLY-IEBWSBKVSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046248537 767108347 /nfs/dbraw/zinc/10/83/47/767108347.db2.gz PFJZGNBVJPMCGU-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875567 767111279 /nfs/dbraw/zinc/11/12/79/767111279.db2.gz GECKDKIOQHFSEE-GARNVTTQSA-N 1 1 347.459 0.385 20 30 ECEDMO C=C(C)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875456 767111907 /nfs/dbraw/zinc/11/19/07/767111907.db2.gz DADCHQDQHAZMOX-NDUQDZPOSA-N 1 1 347.459 0.385 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)C3=CCOCC3)C2)C1=O ZINC001046264653 767116820 /nfs/dbraw/zinc/11/68/20/767116820.db2.gz SVWQJYUFZRILPR-QAPCUYQASA-N 1 1 333.432 0.701 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC001089731487 767134287 /nfs/dbraw/zinc/13/42/87/767134287.db2.gz RFZVBCIMMIONAB-LBPRGKRZSA-N 1 1 329.404 0.429 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC001089731487 767134288 /nfs/dbraw/zinc/13/42/88/767134288.db2.gz RFZVBCIMMIONAB-LBPRGKRZSA-N 1 1 329.404 0.429 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001089735529 767136910 /nfs/dbraw/zinc/13/69/10/767136910.db2.gz MXOVWGNNTVHCDP-ZIAGYGMSSA-N 1 1 341.477 0.308 20 30 ECEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001089735715 767136905 /nfs/dbraw/zinc/13/69/05/767136905.db2.gz OXORIECCDNVJTE-ZIAGYGMSSA-N 1 1 343.493 0.861 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001089735573 767136961 /nfs/dbraw/zinc/13/69/61/767136961.db2.gz NIOJTFRALOIVOY-CYBMUJFWSA-N 1 1 346.435 0.007 20 30 ECEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001089735713 767137022 /nfs/dbraw/zinc/13/70/22/767137022.db2.gz OXORIECCDNVJTE-KGLIPLIRSA-N 1 1 343.493 0.861 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCNC(=O)CC1)CO2 ZINC001053881201 767150684 /nfs/dbraw/zinc/15/06/84/767150684.db2.gz GDFJLKUEBBKZHV-CABCVRRESA-N 1 1 335.448 0.828 20 30 ECEDMO Cc1nc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001046329228 767152000 /nfs/dbraw/zinc/15/20/00/767152000.db2.gz KUSQHLOEULPYHX-IMJJTQAJSA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1nc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001046329228 767152001 /nfs/dbraw/zinc/15/20/01/767152001.db2.gz KUSQHLOEULPYHX-IMJJTQAJSA-N 1 1 343.431 0.899 20 30 ECEDMO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001089775993 767156136 /nfs/dbraw/zinc/15/61/36/767156136.db2.gz ZOIXGYXACWHJKD-UMVBOHGHSA-N 1 1 346.435 0.398 20 30 ECEDMO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001089775993 767156138 /nfs/dbraw/zinc/15/61/38/767156138.db2.gz ZOIXGYXACWHJKD-UMVBOHGHSA-N 1 1 346.435 0.398 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(OCC)n[nH]3)C2)C1=O ZINC001031763544 767166956 /nfs/dbraw/zinc/16/69/56/767166956.db2.gz SOAMKLWTUFVCLK-AWEZNQCLSA-N 1 1 347.419 0.257 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@H](OC)C1 ZINC001212297680 767182930 /nfs/dbraw/zinc/18/29/30/767182930.db2.gz JDFUCMPTTCLATC-UKRRQHHQSA-N 1 1 334.420 0.461 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC4CC4)[C@H]3C2)c[nH]1 ZINC001042019252 782609883 /nfs/dbraw/zinc/60/98/83/782609883.db2.gz QXOODPWJTRYIMQ-LRDDRELGSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC4CC4)[C@H]3C2)c[nH]1 ZINC001042019252 782609889 /nfs/dbraw/zinc/60/98/89/782609889.db2.gz QXOODPWJTRYIMQ-LRDDRELGSA-N 1 1 341.415 0.701 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C#N)c[nH]1 ZINC001089790208 767186360 /nfs/dbraw/zinc/18/63/60/767186360.db2.gz QUMYZHVFLVGRQC-FQLMCAECSA-N 1 1 341.415 0.415 20 30 ECEDMO C=CCN1CC[C@H](N2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001031777211 767187170 /nfs/dbraw/zinc/18/71/70/767187170.db2.gz YRRXJTNOFFLWIH-HOTGVXAUSA-N 1 1 334.464 0.306 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001046393436 767192130 /nfs/dbraw/zinc/19/21/30/767192130.db2.gz WWLGTAUSHROKAE-UKPHBRMFSA-N 1 1 343.431 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001046393436 767192131 /nfs/dbraw/zinc/19/21/31/767192131.db2.gz WWLGTAUSHROKAE-UKPHBRMFSA-N 1 1 343.431 0.403 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001212315995 767206877 /nfs/dbraw/zinc/20/68/77/767206877.db2.gz DIICQLMDCZUIPK-NWANDNLSSA-N 1 1 335.404 0.789 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001046430246 767216232 /nfs/dbraw/zinc/21/62/32/767216232.db2.gz ZDZFMTHHVGRGND-KRWDZBQOSA-N 1 1 327.388 0.955 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1 ZINC001089795816 767220527 /nfs/dbraw/zinc/22/05/27/767220527.db2.gz AYPCBMWYQWGLBD-MHORFTMASA-N 1 1 331.460 0.511 20 30 ECEDMO CCN1CCOC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031796270 767222553 /nfs/dbraw/zinc/22/25/53/767222553.db2.gz GDGRJBDDVFMUEL-SFHVURJKSA-N 1 1 342.443 0.827 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)c(C)nn(C)c1=O)CO2 ZINC001053889020 767228133 /nfs/dbraw/zinc/22/81/33/767228133.db2.gz YQLTVWPROISIPC-AWEZNQCLSA-N 1 1 346.431 0.546 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046468062 767244582 /nfs/dbraw/zinc/24/45/82/767244582.db2.gz FRLOIQUEEZTMEX-QLFBSQMISA-N 1 1 342.447 0.950 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C(C)(C)C)n1 ZINC001089813564 767266438 /nfs/dbraw/zinc/26/64/38/767266438.db2.gz VHSJKZPGVRMIOV-YJNKXOJESA-N 1 1 342.447 0.844 20 30 ECEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001046507139 767268410 /nfs/dbraw/zinc/26/84/10/767268410.db2.gz HHSFSKKSIHDYDH-INIZCTEOSA-N 1 1 327.392 0.828 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(OC)ncn1 ZINC001089816435 767287506 /nfs/dbraw/zinc/28/75/06/767287506.db2.gz OIJLQJAABIBVCK-AYDFFVQHSA-N 1 1 326.400 0.901 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046538129 767288788 /nfs/dbraw/zinc/28/87/88/767288788.db2.gz GEQQVRFAYZZKSE-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046538129 767288790 /nfs/dbraw/zinc/28/87/90/767288790.db2.gz GEQQVRFAYZZKSE-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncnn1 ZINC001089818218 767292881 /nfs/dbraw/zinc/29/28/81/767292881.db2.gz WWLYATDHQUIOFW-CRWXNKLISA-N 1 1 336.827 0.594 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001046542399 767292898 /nfs/dbraw/zinc/29/28/98/767292898.db2.gz IYDHMVDTNOJRCH-MAUKXSAKSA-N 1 1 341.415 0.662 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCOCC2=O)C1 ZINC001089818594 767296220 /nfs/dbraw/zinc/29/62/20/767296220.db2.gz BCDXHPWQQJHPCA-QAETUUGQSA-N 1 1 345.443 0.037 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046589476 767341359 /nfs/dbraw/zinc/34/13/59/767341359.db2.gz VTYFOHCTBMYTQJ-YJBOKZPZSA-N 1 1 326.400 0.300 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046589476 767341362 /nfs/dbraw/zinc/34/13/62/767341362.db2.gz VTYFOHCTBMYTQJ-YJBOKZPZSA-N 1 1 326.400 0.300 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nnnn3CC1)CO2 ZINC001053932044 767393929 /nfs/dbraw/zinc/39/39/29/767393929.db2.gz JWXVWTPWJGAYEM-KGLIPLIRSA-N 1 1 346.435 0.161 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(=O)n(C)c1 ZINC001089832607 767398607 /nfs/dbraw/zinc/39/86/07/767398607.db2.gz WKUDVPFWNTZZOP-ORQFMDKSSA-N 1 1 325.412 0.801 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001046631264 767402050 /nfs/dbraw/zinc/40/20/50/767402050.db2.gz CZARNLYBCBWTEA-RVKKMQEKSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001046631264 767402053 /nfs/dbraw/zinc/40/20/53/767402053.db2.gz CZARNLYBCBWTEA-RVKKMQEKSA-N 1 1 335.448 0.779 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001106153837 767403224 /nfs/dbraw/zinc/40/32/24/767403224.db2.gz AROPGUAIKQCXBW-CQSZACIVSA-N 1 1 346.435 0.284 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCC)C1)CO2 ZINC001053941277 767411941 /nfs/dbraw/zinc/41/19/41/767411941.db2.gz VLIIJKFWFFKIMN-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ccc(C)cc1=O)CO2 ZINC001053945252 767420711 /nfs/dbraw/zinc/42/07/11/767420711.db2.gz QQPSIFYOOZXANI-HNNXBMFYSA-N 1 1 331.416 0.692 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001106158245 767424763 /nfs/dbraw/zinc/42/47/63/767424763.db2.gz QVXZBQALLKCNFR-UONOGXRCSA-N 1 1 332.408 0.112 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001089835552 767427692 /nfs/dbraw/zinc/42/76/92/767427692.db2.gz WCJMZFCMVBDBOT-YJNKXOJESA-N 1 1 344.415 0.304 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001046670375 767447345 /nfs/dbraw/zinc/44/73/45/767447345.db2.gz NZQIXKXHGOFBHE-KRWDZBQOSA-N 1 1 334.420 0.244 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001046676718 767461512 /nfs/dbraw/zinc/46/15/12/767461512.db2.gz KSIZTSQNVXGCAV-CQSZACIVSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001046678590 767466160 /nfs/dbraw/zinc/46/61/60/767466160.db2.gz SRHZIEFAGVTRNO-MAUKXSAKSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001046678590 767466163 /nfs/dbraw/zinc/46/61/63/767466163.db2.gz SRHZIEFAGVTRNO-MAUKXSAKSA-N 1 1 345.447 0.884 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001046684832 767478495 /nfs/dbraw/zinc/47/84/95/767478495.db2.gz MJFUHGIOAJBIIH-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001046688832 767485040 /nfs/dbraw/zinc/48/50/40/767485040.db2.gz ACQBAURGWYTRJT-LRDDRELGSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001046688832 767485044 /nfs/dbraw/zinc/48/50/44/767485044.db2.gz ACQBAURGWYTRJT-LRDDRELGSA-N 1 1 334.424 0.183 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001046704379 767517473 /nfs/dbraw/zinc/51/74/73/767517473.db2.gz QSDJMEGDCZUGNA-KRWDZBQOSA-N 1 1 327.388 0.549 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cncc(C(N)=O)c1)CO2 ZINC001054010458 767592025 /nfs/dbraw/zinc/59/20/25/767592025.db2.gz SWEZJYIAVAAUEF-HNNXBMFYSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001054043785 767642502 /nfs/dbraw/zinc/64/25/02/767642502.db2.gz KEJJETMAUDQVGZ-ATZDWAIDSA-N 1 1 341.455 0.882 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001054043785 767642506 /nfs/dbraw/zinc/64/25/06/767642506.db2.gz KEJJETMAUDQVGZ-ATZDWAIDSA-N 1 1 341.455 0.882 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1=O ZINC001031050687 767647682 /nfs/dbraw/zinc/64/76/82/767647682.db2.gz UEOXCUYWFZINRZ-DLBZAZTESA-N 1 1 348.491 0.837 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001054116121 767703755 /nfs/dbraw/zinc/70/37/55/767703755.db2.gz MYIDSJVDRZCRTN-KRWDZBQOSA-N 1 1 329.404 0.560 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)N1C(=O)CCC1=O)C2 ZINC001054141741 767735872 /nfs/dbraw/zinc/73/58/72/767735872.db2.gz OQTLPIZZRYYWTQ-KSSFIOAISA-N 1 1 331.416 0.472 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCN1C(=O)CCC1=O)C2 ZINC001054161748 767759896 /nfs/dbraw/zinc/75/98/96/767759896.db2.gz NTXKFRRAEYESSU-LJQANCHMSA-N 1 1 345.443 0.863 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001054166777 767765232 /nfs/dbraw/zinc/76/52/32/767765232.db2.gz JCWKWUDHFFZBOS-SFHVURJKSA-N 1 1 345.447 0.310 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C)c(=O)cn1)C2 ZINC001054167797 767765504 /nfs/dbraw/zinc/76/55/04/767765504.db2.gz KMGNRZNPEFHCES-SFHVURJKSA-N 1 1 328.416 0.732 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[C@H](OC)CN1C(C)=O)C2 ZINC001054171096 767767399 /nfs/dbraw/zinc/76/73/99/767767399.db2.gz YPNVEQSLXGWPMX-SCTDSRPQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCc3nnn(C)c3C1)C2 ZINC001054184275 767782282 /nfs/dbraw/zinc/78/22/82/767782282.db2.gz BYMFKEYXTXFGPQ-DNVCBOLYSA-N 1 1 341.459 0.868 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C(N)=O)C3)cc1F ZINC001054188686 767789229 /nfs/dbraw/zinc/78/92/29/767789229.db2.gz RCJALGXBPHWOHU-SFHVURJKSA-N 1 1 344.390 0.997 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)nn1 ZINC001054213330 767810849 /nfs/dbraw/zinc/81/08/49/767810849.db2.gz XMCMRUXUCUXZBD-KRWDZBQOSA-N 1 1 346.435 0.268 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)nn1 ZINC001054213330 767810856 /nfs/dbraw/zinc/81/08/56/767810856.db2.gz XMCMRUXUCUXZBD-KRWDZBQOSA-N 1 1 346.435 0.268 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001054213559 767811183 /nfs/dbraw/zinc/81/11/83/767811183.db2.gz HELWMRJNVCFOOK-SFHVURJKSA-N 1 1 333.432 0.930 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001054227286 767833759 /nfs/dbraw/zinc/83/37/59/767833759.db2.gz KUDRSEXIZVJXAJ-QGZVFWFLSA-N 1 1 334.420 0.381 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001054235724 767845095 /nfs/dbraw/zinc/84/50/95/767845095.db2.gz BIQZRXMYMUPTSY-KDOFPFPSSA-N 1 1 346.431 0.312 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)NC(C)(C)C1=O)C2 ZINC001054237403 767846857 /nfs/dbraw/zinc/84/68/57/767846857.db2.gz WGDBZHQWCYWWKI-GOSISDBHSA-N 1 1 346.431 0.265 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001054237124 767847859 /nfs/dbraw/zinc/84/78/59/767847859.db2.gz VGZNTCUZBFMKKP-QGZVFWFLSA-N 1 1 334.420 0.381 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccncc2C#N)C1 ZINC001106539506 768418790 /nfs/dbraw/zinc/41/87/90/768418790.db2.gz NNVNXSXRUGKKHJ-RHSMWYFYSA-N 1 1 345.447 0.791 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccncc2C#N)C1 ZINC001106539506 768418791 /nfs/dbraw/zinc/41/87/91/768418791.db2.gz NNVNXSXRUGKKHJ-RHSMWYFYSA-N 1 1 345.447 0.791 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21)C1CC1 ZINC001042045417 782664688 /nfs/dbraw/zinc/66/46/88/782664688.db2.gz XYGIXACOOQLVCW-DOTOQJQBSA-N 1 1 329.444 0.943 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1ccnc(C#N)n1 ZINC001106616037 768513441 /nfs/dbraw/zinc/51/34/41/768513441.db2.gz OWMRLGUEHNVAHM-KGLIPLIRSA-N 1 1 330.436 0.951 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001017941973 768530932 /nfs/dbraw/zinc/53/09/32/768530932.db2.gz KDRMNQKBPZYTEP-GASCZTMLSA-N 1 1 342.443 0.835 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)C1 ZINC001055064793 768552137 /nfs/dbraw/zinc/55/21/37/768552137.db2.gz UUNCHCJSYAQJLA-UKMLZYKCSA-N 1 1 340.431 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)COCC)C[C@@H]2C1 ZINC001055140352 768599537 /nfs/dbraw/zinc/59/95/37/768599537.db2.gz MPXKUXNIHDKDED-XHSDSOJGSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)COCC)C[C@@H]2C1 ZINC001055140352 768599543 /nfs/dbraw/zinc/59/95/43/768599543.db2.gz MPXKUXNIHDKDED-XHSDSOJGSA-N 1 1 333.432 0.037 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2C1 ZINC001055180431 768636412 /nfs/dbraw/zinc/63/64/12/768636412.db2.gz FZOPBJOKQCKAGB-OKILXGFUSA-N 1 1 338.477 0.502 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001055238093 768694359 /nfs/dbraw/zinc/69/43/59/768694359.db2.gz UQXGTGWHVAHCQZ-OWCLPIDISA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001055238093 768694364 /nfs/dbraw/zinc/69/43/64/768694364.db2.gz UQXGTGWHVAHCQZ-OWCLPIDISA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001055250029 768707813 /nfs/dbraw/zinc/70/78/13/768707813.db2.gz LRXLHEMDPRZJHS-IXDOHACOSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001055249856 768707962 /nfs/dbraw/zinc/70/79/62/768707962.db2.gz DKZWLRPQSVTZMZ-JONQDZQNSA-N 1 1 335.448 0.304 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001055250163 768708998 /nfs/dbraw/zinc/70/89/98/768708998.db2.gz RVECPKPABSKDQF-HRCADAONSA-N 1 1 335.448 0.448 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001055250979 768709673 /nfs/dbraw/zinc/70/96/73/768709673.db2.gz RMBVFVMNPGYVAY-XHSDSOJGSA-N 1 1 335.448 0.590 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001055251808 768711278 /nfs/dbraw/zinc/71/12/78/768711278.db2.gz KOPRHARBMBMCNX-BASYENTBSA-N 1 1 335.448 0.325 20 30 ECEDMO C=CCOCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001055251919 768711500 /nfs/dbraw/zinc/71/15/00/768711500.db2.gz NVVZMUJUSGGSCT-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(C(=O)C#CC(C)(C)C)C[C@H]3C2)C1 ZINC001055268360 768724440 /nfs/dbraw/zinc/72/44/40/768724440.db2.gz IAUPAZUECHRCNA-XHSDSOJGSA-N 1 1 347.459 0.283 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(C(=O)C#CC(C)(C)C)C[C@H]3C2)C1 ZINC001055268360 768724446 /nfs/dbraw/zinc/72/44/46/768724446.db2.gz IAUPAZUECHRCNA-XHSDSOJGSA-N 1 1 347.459 0.283 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 ZINC001055295109 768749057 /nfs/dbraw/zinc/74/90/57/768749057.db2.gz VDMFUOQYWWJUCC-MQYQWHSLSA-N 1 1 326.404 0.668 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001055312658 768767293 /nfs/dbraw/zinc/76/72/93/768767293.db2.gz NPKMFERXMNPUQT-IXDOHACOSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001055312658 768767301 /nfs/dbraw/zinc/76/73/01/768767301.db2.gz NPKMFERXMNPUQT-IXDOHACOSA-N 1 1 347.459 0.427 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001055313108 768768060 /nfs/dbraw/zinc/76/80/60/768768060.db2.gz BTWHQEALKNMNLP-OAFZBRQQSA-N 1 1 349.475 0.572 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001018141906 768791705 /nfs/dbraw/zinc/79/17/05/768791705.db2.gz GQQBWBXISVMJAL-OKILXGFUSA-N 1 1 348.447 0.958 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)C1 ZINC001055341452 768799206 /nfs/dbraw/zinc/79/92/06/768799206.db2.gz FDMGYIJMLYWSOC-SYQHCUMBSA-N 1 1 326.404 0.526 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)C1 ZINC001055341558 768799955 /nfs/dbraw/zinc/79/99/55/768799955.db2.gz JOCRNRQMLREOBW-NGFQHRJXSA-N 1 1 326.404 0.526 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001055379472 768835625 /nfs/dbraw/zinc/83/56/25/768835625.db2.gz BUJJPGWBMPGFKT-HRCADAONSA-N 1 1 337.464 0.836 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001055416198 768876083 /nfs/dbraw/zinc/87/60/83/768876083.db2.gz PDFQRKQMBLDIMF-KFWWJZLASA-N 1 1 337.387 0.779 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001018214475 768899459 /nfs/dbraw/zinc/89/94/59/768899459.db2.gz RGNUZIVQRXUNEI-IJEWVQPXSA-N 1 1 339.461 0.157 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(C)(C)F)CC1 ZINC001055494470 768937707 /nfs/dbraw/zinc/93/77/07/768937707.db2.gz LGDDVNLZVNZHLX-CYBMUJFWSA-N 1 1 341.427 0.470 20 30 ECEDMO C=CCOCC(=O)NC1CC[NH+](CCNC(=O)C(C)(F)F)CC1 ZINC001055494822 768938540 /nfs/dbraw/zinc/93/85/40/768938540.db2.gz XIHHDQSAPUKTSL-UHFFFAOYSA-N 1 1 333.379 0.541 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2cnccn2)CC1 ZINC001055502724 768955382 /nfs/dbraw/zinc/95/53/82/768955382.db2.gz NQBGVQJCLWVBAQ-UHFFFAOYSA-N 1 1 341.415 0.200 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]21 ZINC001042067528 782709119 /nfs/dbraw/zinc/70/91/19/782709119.db2.gz QRQGMKBXVAYPOS-UONOGXRCSA-N 1 1 346.435 0.266 20 30 ECEDMO Cc1cc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)no1 ZINC001055512377 768981312 /nfs/dbraw/zinc/98/13/12/768981312.db2.gz OTDZFXGWOGVGMS-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)CC[NH+]1CCOCC1 ZINC001106797948 769015570 /nfs/dbraw/zinc/01/55/70/769015570.db2.gz FDPWKUALIGMQDT-UHFFFAOYSA-N 1 1 332.408 0.331 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2cnsn2)CC1 ZINC001055532138 769029948 /nfs/dbraw/zinc/02/99/48/769029948.db2.gz YDLDPUNROCIIAO-SNVBAGLBSA-N 1 1 336.421 0.008 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001031275908 769037565 /nfs/dbraw/zinc/03/75/65/769037565.db2.gz CVVRDSKQZQDJPJ-AWEZNQCLSA-N 1 1 329.400 0.934 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(c2ccc(C#N)nn2)C3)C1 ZINC001055535299 769040654 /nfs/dbraw/zinc/04/06/54/769040654.db2.gz VNKSGXYTDUAJTK-DEYYWGMASA-N 1 1 340.431 0.775 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C(=O)C(C)(C)C)CC1 ZINC001055545014 769078891 /nfs/dbraw/zinc/07/88/91/769078891.db2.gz BRVAHPMJMNWNHP-GFCCVEGCSA-N 1 1 336.436 0.458 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001042077751 782721951 /nfs/dbraw/zinc/72/19/51/782721951.db2.gz OOSZNODIQXDQPC-GJZGRUSLSA-N 1 1 344.463 0.917 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cncnc2)CC1 ZINC001055563350 769121954 /nfs/dbraw/zinc/12/19/54/769121954.db2.gz BVWLVCVZHUSQFZ-UHFFFAOYSA-N 1 1 343.431 0.591 20 30 ECEDMO Cc1cc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)ns1 ZINC001055567637 769132323 /nfs/dbraw/zinc/13/23/23/769132323.db2.gz JKENKNOIVYHJRP-LLVKDONJSA-N 1 1 349.460 0.922 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)CC1 ZINC001018357040 769178457 /nfs/dbraw/zinc/17/84/57/769178457.db2.gz ADUCTRLNEOGNPM-IRXDYDNUSA-N 1 1 349.475 0.982 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001018362258 769198034 /nfs/dbraw/zinc/19/80/34/769198034.db2.gz DSDXOFVMLUHCOD-CQSZACIVSA-N 1 1 343.431 0.903 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000993518609 769216202 /nfs/dbraw/zinc/21/62/02/769216202.db2.gz HZIMXGFHHCKAKL-AAEUAGOBSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CCCCC(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055618947 769270025 /nfs/dbraw/zinc/27/00/25/769270025.db2.gz RCTOYDAJMKGLQR-UHFFFAOYSA-N 1 1 346.435 0.309 20 30 ECEDMO CC(C)(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622573 769280813 /nfs/dbraw/zinc/28/08/13/769280813.db2.gz PYPWDOAPYOPNMO-UHFFFAOYSA-N 1 1 347.419 0.430 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2ncccc2F)CC1 ZINC001055623329 769283747 /nfs/dbraw/zinc/28/37/47/769283747.db2.gz CITSYPLDNRGJSS-LBPRGKRZSA-N 1 1 347.394 0.691 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2ncccc2F)CC1 ZINC001055623328 769283911 /nfs/dbraw/zinc/28/39/11/769283911.db2.gz CITSYPLDNRGJSS-GFCCVEGCSA-N 1 1 347.394 0.691 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2csnn2)CC1 ZINC001055631581 769303406 /nfs/dbraw/zinc/30/34/06/769303406.db2.gz IOJCFVNIEDAOEA-JTQLQIEISA-N 1 1 336.421 0.008 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001055632221 769306219 /nfs/dbraw/zinc/30/62/19/769306219.db2.gz QUHUONORJIJBEF-BBRMVZONSA-N 1 1 349.479 0.183 20 30 ECEDMO Cc1cnoc1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055634702 769313914 /nfs/dbraw/zinc/31/39/14/769313914.db2.gz PRSJZLUYELUJFI-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000993559710 769317354 /nfs/dbraw/zinc/31/73/54/769317354.db2.gz CDKXAYLWGIJAOX-WDEREUQCSA-N 1 1 327.406 0.696 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2-n2cnnn2)[C@@H]1C ZINC000993566354 769325792 /nfs/dbraw/zinc/32/57/92/769325792.db2.gz KHCJVVWMALZSMH-NWDGAFQWSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2-n2cnnn2)[C@@H]1C ZINC000993566354 769325804 /nfs/dbraw/zinc/32/58/04/769325804.db2.gz KHCJVVWMALZSMH-NWDGAFQWSA-N 1 1 330.417 0.940 20 30 ECEDMO CCc1ncoc1C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055640736 769326369 /nfs/dbraw/zinc/32/63/69/769326369.db2.gz FXOPGRBCSCDVMT-GFCCVEGCSA-N 1 1 347.419 0.707 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H]1C ZINC000993654206 769431886 /nfs/dbraw/zinc/43/18/86/769431886.db2.gz BLLSVXBXOKOFRS-UONOGXRCSA-N 1 1 327.388 0.098 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC000993663197 769496695 /nfs/dbraw/zinc/49/66/95/769496695.db2.gz CRYSCMOAUIVXJX-DGCLKSJQSA-N 1 1 344.423 0.853 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@H]1C ZINC000993700468 769533545 /nfs/dbraw/zinc/53/35/45/769533545.db2.gz CDJLCGQRKPOGLW-OCCSQVGLSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@@H]1C ZINC000993700464 769533777 /nfs/dbraw/zinc/53/37/77/769533777.db2.gz CDJLCGQRKPOGLW-GXTWGEPZSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@H]1C ZINC000993700471 769533829 /nfs/dbraw/zinc/53/38/29/769533829.db2.gz CDJLCGQRKPOGLW-TZMCWYRMSA-N 1 1 326.404 0.969 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H]1C ZINC000993773407 769597353 /nfs/dbraw/zinc/59/73/53/769597353.db2.gz QQQUEADYZRQILA-CMPLNLGQSA-N 1 1 341.437 0.216 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001078358336 782768794 /nfs/dbraw/zinc/76/87/94/782768794.db2.gz NWYGQLVIAVJXBS-XJKSGUPXSA-N 1 1 346.435 0.555 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H]1C ZINC000993858612 769706915 /nfs/dbraw/zinc/70/69/15/769706915.db2.gz RZDUMFNHOCOUTA-UONOGXRCSA-N 1 1 330.432 0.957 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001018681810 769755056 /nfs/dbraw/zinc/75/50/56/769755056.db2.gz HYCVPRRFSRAMBU-LBPRGKRZSA-N 1 1 328.380 0.287 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001018732076 769821695 /nfs/dbraw/zinc/82/16/95/769821695.db2.gz PMHOKQSPHNIHJB-ZDUSSCGKSA-N 1 1 342.407 0.677 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001018732553 769823402 /nfs/dbraw/zinc/82/34/02/769823402.db2.gz HHIZVRSAGJFWMR-KRWDZBQOSA-N 1 1 346.406 0.720 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3cc(C)ncc3C#N)CC2)C1 ZINC001055824940 769864361 /nfs/dbraw/zinc/86/43/61/769864361.db2.gz ONGOTIVHLFMEGA-QGZVFWFLSA-N 1 1 343.431 0.631 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3cc(C)ncc3C#N)CC2)C1 ZINC001055824940 769864378 /nfs/dbraw/zinc/86/43/78/769864378.db2.gz ONGOTIVHLFMEGA-QGZVFWFLSA-N 1 1 343.431 0.631 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3nc(C)ccc3C#N)CC2)C1 ZINC001055824982 769865030 /nfs/dbraw/zinc/86/50/30/769865030.db2.gz SANIWDDUFOUXNT-MRXNPFEDSA-N 1 1 343.431 0.631 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3nc(C)ccc3C#N)CC2)C1 ZINC001055824982 769865043 /nfs/dbraw/zinc/86/50/43/769865043.db2.gz SANIWDDUFOUXNT-MRXNPFEDSA-N 1 1 343.431 0.631 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(CO)CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001055836741 769914369 /nfs/dbraw/zinc/91/43/69/769914369.db2.gz FBXRAJSUTXHEFB-DNVCBOLYSA-N 1 1 349.475 0.600 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001055837025 769918469 /nfs/dbraw/zinc/91/84/69/769918469.db2.gz IXQXLQJWEUDQBN-LPHOPBHVSA-N 1 1 349.475 0.744 20 30 ECEDMO Cc1ccc(C#N)c(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)n1 ZINC001055851049 769969674 /nfs/dbraw/zinc/96/96/74/769969674.db2.gz KNBJJTHWFPWOPP-UHFFFAOYSA-N 1 1 343.431 0.633 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccccn4c3=O)C[C@H]21 ZINC001042116757 782798072 /nfs/dbraw/zinc/79/80/72/782798072.db2.gz NGQROVQOBKPDKU-GDBMZVCRSA-N 1 1 336.395 0.864 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 ZINC001042122138 782806422 /nfs/dbraw/zinc/80/64/22/782806422.db2.gz MMEQIIXKRNHJHM-HUUCEWRRSA-N 1 1 333.436 0.471 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 ZINC001042121701 782806487 /nfs/dbraw/zinc/80/64/87/782806487.db2.gz JKHRCEWMGLKHCX-QWHCGFSZSA-N 1 1 339.827 0.257 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 ZINC001042121701 782806490 /nfs/dbraw/zinc/80/64/90/782806490.db2.gz JKHRCEWMGLKHCX-QWHCGFSZSA-N 1 1 339.827 0.257 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C=C\C(C)(C)C)C1 ZINC001042122461 782807909 /nfs/dbraw/zinc/80/79/09/782807909.db2.gz FEPRJBNOBXPOHK-CDNLZTBQSA-N 1 1 347.459 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C=C\C(C)(C)C)C1 ZINC001042122461 782807913 /nfs/dbraw/zinc/80/79/13/782807913.db2.gz FEPRJBNOBXPOHK-CDNLZTBQSA-N 1 1 347.459 0.376 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001018899318 770236296 /nfs/dbraw/zinc/23/62/96/770236296.db2.gz PJBFIFXADULVLF-YJBOKZPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001018899318 770236303 /nfs/dbraw/zinc/23/63/03/770236303.db2.gz PJBFIFXADULVLF-YJBOKZPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H]1C ZINC000994169742 770242553 /nfs/dbraw/zinc/24/25/53/770242553.db2.gz BMMGSAOFRXCYCN-UONOGXRCSA-N 1 1 333.436 0.536 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 ZINC001018913515 770263338 /nfs/dbraw/zinc/26/33/38/770263338.db2.gz DIUNOAICIXRBKT-CQSZACIVSA-N 1 1 341.415 0.513 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H]1C ZINC000994179116 770264995 /nfs/dbraw/zinc/26/49/95/770264995.db2.gz YNWCXDAYTMQYNU-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938810 770291719 /nfs/dbraw/zinc/29/17/19/770291719.db2.gz LENSRDMJTXALOL-IBGZPJMESA-N 1 1 349.475 0.601 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCN(c3nccnc3C#N)CC2)no1 ZINC001055945519 770313406 /nfs/dbraw/zinc/31/34/06/770313406.db2.gz NMXYZBOOLFJOFH-UHFFFAOYSA-N 1 1 341.375 0.360 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@@H]21 ZINC001042133830 782828492 /nfs/dbraw/zinc/82/84/92/782828492.db2.gz LWHNCRMBHFLNBM-RYUDHWBXSA-N 1 1 339.417 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001042138096 782835955 /nfs/dbraw/zinc/83/59/55/782835955.db2.gz KVWAYNCUJUBSJE-CJNGLKHVSA-N 1 1 328.416 0.684 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ncnn2CCF)C1 ZINC001018985874 770483632 /nfs/dbraw/zinc/48/36/32/770483632.db2.gz JXMQGZRIJSQOJZ-GJZGRUSLSA-N 1 1 348.426 0.036 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ncnn2CCF)C1 ZINC001018985874 770483639 /nfs/dbraw/zinc/48/36/39/770483639.db2.gz JXMQGZRIJSQOJZ-GJZGRUSLSA-N 1 1 348.426 0.036 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]21 ZINC001042140624 782842531 /nfs/dbraw/zinc/84/25/31/782842531.db2.gz BGTVPQQPLSQKHO-HUUCEWRRSA-N 1 1 346.431 0.838 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3OCC(N)=O)C[C@H]21 ZINC001042140831 782842757 /nfs/dbraw/zinc/84/27/57/782842757.db2.gz BEDWNFKCTOFWEL-GOEBONIOSA-N 1 1 341.411 0.720 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056031566 770616365 /nfs/dbraw/zinc/61/63/65/770616365.db2.gz APKPUNJMIBVNFR-GOSISDBHSA-N 1 1 335.448 0.211 20 30 ECEDMO CC1(C)C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001089364965 770666360 /nfs/dbraw/zinc/66/63/60/770666360.db2.gz JHDQHEIMSRGJQH-DZGCQCFKSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C ZINC000994368012 770667314 /nfs/dbraw/zinc/66/73/14/770667314.db2.gz VDNZFNUBMZTVCE-KBPBESRZSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@H]21 ZINC001042152665 782858600 /nfs/dbraw/zinc/85/86/00/782858600.db2.gz OUXBTDDIXVXYFW-DZGCQCFKSA-N 1 1 329.400 0.943 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001019073853 770717946 /nfs/dbraw/zinc/71/79/46/770717946.db2.gz LCKCRWLVUIQPBG-BBRMVZONSA-N 1 1 344.390 0.914 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001056072334 770751979 /nfs/dbraw/zinc/75/19/79/770751979.db2.gz SIMNUIPSGJZILB-UKRRQHHQSA-N 1 1 344.419 0.024 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001056072334 770751983 /nfs/dbraw/zinc/75/19/83/770751983.db2.gz SIMNUIPSGJZILB-UKRRQHHQSA-N 1 1 344.419 0.024 20 30 ECEDMO CC(C)n1ncnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001078398542 782870452 /nfs/dbraw/zinc/87/04/52/782870452.db2.gz PUKLXPJUHSXHGI-INIZCTEOSA-N 1 1 345.447 0.980 20 30 ECEDMO CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001078398833 782870811 /nfs/dbraw/zinc/87/08/11/782870811.db2.gz UPTZUAZMLQKIGR-OAHLLOKOSA-N 1 1 346.435 0.375 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@@H]21 ZINC001042163294 782877784 /nfs/dbraw/zinc/87/77/84/782877784.db2.gz RGVITXYWWPKXHL-CJNGLKHVSA-N 1 1 339.403 0.780 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)SC)C2 ZINC001019143676 770916171 /nfs/dbraw/zinc/91/61/71/770916171.db2.gz ROZXESLDRVEOGO-GJZGRUSLSA-N 1 1 349.500 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)SC)C2 ZINC001019143676 770916177 /nfs/dbraw/zinc/91/61/77/770916177.db2.gz ROZXESLDRVEOGO-GJZGRUSLSA-N 1 1 349.500 0.896 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(Cc3n[nH]c(C4CC4)n3)C2)CC1 ZINC001031436557 771066933 /nfs/dbraw/zinc/06/69/33/771066933.db2.gz JRGDLMYLIOMNLB-UHFFFAOYSA-N 1 1 342.447 0.328 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN([C@H](C)c3n[nH]c(C)n3)C2)CC1 ZINC001031435337 771070168 /nfs/dbraw/zinc/07/01/68/771070168.db2.gz XXPWHDSJWWGPKT-GFCCVEGCSA-N 1 1 330.436 0.320 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC001089432791 771157175 /nfs/dbraw/zinc/15/71/75/771157175.db2.gz DNMKWSWGCSEKJQ-ZIAGYGMSSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC001089432791 771157176 /nfs/dbraw/zinc/15/71/76/771157176.db2.gz DNMKWSWGCSEKJQ-ZIAGYGMSSA-N 1 1 326.462 0.661 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)CC[N@H+]1C ZINC001056381250 771204905 /nfs/dbraw/zinc/20/49/05/771204905.db2.gz YIFUXDVNOBBYNA-AORAQPTISA-N 1 1 340.431 0.629 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001056412742 771245281 /nfs/dbraw/zinc/24/52/81/771245281.db2.gz LWDRPOYPYGSLSU-CTNYNGJSSA-N 1 1 325.416 0.988 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)/C=C(/C)CC)[C@H](OC)C2)C1=O ZINC001212237566 771261989 /nfs/dbraw/zinc/26/19/89/771261989.db2.gz RRFUPTLGDGPINR-FBJBHJOSSA-N 1 1 335.448 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)/C=C(/C)CC)[C@H](OC)C2)C1=O ZINC001212237566 771261992 /nfs/dbraw/zinc/26/19/92/771261992.db2.gz RRFUPTLGDGPINR-FBJBHJOSSA-N 1 1 335.448 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(Cl)cn3)C[C@H]21 ZINC001056467073 771304497 /nfs/dbraw/zinc/30/44/97/771304497.db2.gz LFAQKGNDIQHYGL-LJISPDSOSA-N 1 1 345.834 0.778 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(Cl)cn3)C[C@H]21 ZINC001056467073 771304502 /nfs/dbraw/zinc/30/45/02/771304502.db2.gz LFAQKGNDIQHYGL-LJISPDSOSA-N 1 1 345.834 0.778 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(C)nn3C)C2)C1=O ZINC001031569129 771307556 /nfs/dbraw/zinc/30/75/56/771307556.db2.gz YFCMGXCDIRMBKQ-CQSZACIVSA-N 1 1 331.420 0.177 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001056489435 771329282 /nfs/dbraw/zinc/32/92/82/771329282.db2.gz QYQIYBXLOUPJAU-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031594888 771368773 /nfs/dbraw/zinc/36/87/73/771368773.db2.gz LWRWIZONAJJUNG-QGZVFWFLSA-N 1 1 346.406 0.576 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031594888 771368778 /nfs/dbraw/zinc/36/87/78/771368778.db2.gz LWRWIZONAJJUNG-QGZVFWFLSA-N 1 1 346.406 0.576 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001056559055 771380748 /nfs/dbraw/zinc/38/07/48/771380748.db2.gz ISRXKHSCKXGTOE-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C#CC(C)C ZINC001212241458 771384835 /nfs/dbraw/zinc/38/48/35/771384835.db2.gz RPQHEJBKEZWLKS-GVDBMIGSSA-N 1 1 338.448 0.657 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C#CC(C)C ZINC001212241458 771384837 /nfs/dbraw/zinc/38/48/37/771384837.db2.gz RPQHEJBKEZWLKS-GVDBMIGSSA-N 1 1 338.448 0.657 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001031612098 771442460 /nfs/dbraw/zinc/44/24/60/771442460.db2.gz FNSGNTKYHNBXJH-AWEZNQCLSA-N 1 1 330.388 0.236 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)CC(C)(C)C1 ZINC001089551037 771462929 /nfs/dbraw/zinc/46/29/29/771462929.db2.gz CKIZBTBCHLEULW-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001056648450 771467551 /nfs/dbraw/zinc/46/75/51/771467551.db2.gz WSKLTKAUXIVHBC-TZMCWYRMSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001056648450 771467554 /nfs/dbraw/zinc/46/75/54/771467554.db2.gz WSKLTKAUXIVHBC-TZMCWYRMSA-N 1 1 330.392 0.082 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC(C)(C)C1 ZINC001089556407 771475864 /nfs/dbraw/zinc/47/58/64/771475864.db2.gz QZECDPQOOMSIFE-CYBMUJFWSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001056668580 771493935 /nfs/dbraw/zinc/49/39/35/771493935.db2.gz ANQBPADHRCGJSD-GVDBMIGSSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001056679348 771505255 /nfs/dbraw/zinc/50/52/55/771505255.db2.gz MWIYPOHNVBCEDW-YESZJQIVSA-N 1 1 349.475 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C[C@@H]21 ZINC001042202259 782931419 /nfs/dbraw/zinc/93/14/19/782931419.db2.gz YOWVCNLYFCLCSA-FZMZJTMJSA-N 1 1 325.372 0.833 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCCO2)C1 ZINC001019590000 771553770 /nfs/dbraw/zinc/55/37/70/771553770.db2.gz KEMWBWFMLIMWIO-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCCO2)C1 ZINC001019590001 771554040 /nfs/dbraw/zinc/55/40/40/771554040.db2.gz KEMWBWFMLIMWIO-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nc3)C2)O1 ZINC001056812185 771675203 /nfs/dbraw/zinc/67/52/03/771675203.db2.gz NIVSEUPKLIPLLL-DAXOMENPSA-N 1 1 329.404 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nc3)C2)O1 ZINC001056812185 771675206 /nfs/dbraw/zinc/67/52/06/771675206.db2.gz NIVSEUPKLIPLLL-DAXOMENPSA-N 1 1 329.404 0.685 20 30 ECEDMO Cc1nsc(N(C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001056880171 771757742 /nfs/dbraw/zinc/75/77/42/771757742.db2.gz WOLPHWJKZPLFEM-TZMCWYRMSA-N 1 1 349.460 0.691 20 30 ECEDMO Cc1nsc(N(C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001056880171 771757744 /nfs/dbraw/zinc/75/77/44/771757744.db2.gz WOLPHWJKZPLFEM-TZMCWYRMSA-N 1 1 349.460 0.691 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057060648 772014788 /nfs/dbraw/zinc/01/47/88/772014788.db2.gz OIFOCOHYYUUXJC-HOTGVXAUSA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057060648 772014792 /nfs/dbraw/zinc/01/47/92/772014792.db2.gz OIFOCOHYYUUXJC-HOTGVXAUSA-N 1 1 338.415 0.483 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001020084621 772138812 /nfs/dbraw/zinc/13/88/12/772138812.db2.gz MYHVXOIIIRJVPR-HAQNSBGRSA-N 1 1 342.407 0.678 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ccncc3C#N)CC2)C1 ZINC001057146647 772165501 /nfs/dbraw/zinc/16/55/01/772165501.db2.gz HIKLQIMSYIAODQ-KRWDZBQOSA-N 1 1 343.431 0.713 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ccncc3C#N)CC2)C1 ZINC001057146647 772165506 /nfs/dbraw/zinc/16/55/06/772165506.db2.gz HIKLQIMSYIAODQ-KRWDZBQOSA-N 1 1 343.431 0.713 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCOC2)[C@H]1C ZINC001020138224 772204245 /nfs/dbraw/zinc/20/42/45/772204245.db2.gz ACCXBFKFQUPXLY-YVSFHVDLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCOC2)[C@H]1C ZINC001020138224 772204246 /nfs/dbraw/zinc/20/42/46/772204246.db2.gz ACCXBFKFQUPXLY-YVSFHVDLSA-N 1 1 347.459 0.616 20 30 ECEDMO C=C1CCC(C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001057212826 772287961 /nfs/dbraw/zinc/28/79/61/772287961.db2.gz XEZKLZWGZYYRQV-MRXNPFEDSA-N 1 1 337.464 0.764 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057234939 772319061 /nfs/dbraw/zinc/31/90/61/772319061.db2.gz WBYHTJKSAJVSFI-ZFWWWQNUSA-N 1 1 328.420 0.585 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057252925 772347460 /nfs/dbraw/zinc/34/74/60/772347460.db2.gz ZSQWWQZALJGWOG-INIZCTEOSA-N 1 1 338.415 0.485 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057252925 772347467 /nfs/dbraw/zinc/34/74/67/772347467.db2.gz ZSQWWQZALJGWOG-INIZCTEOSA-N 1 1 338.415 0.485 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccnc(C)n2)CC1 ZINC001057252890 772347628 /nfs/dbraw/zinc/34/76/28/772347628.db2.gz WXISAVHPBUZXCU-INIZCTEOSA-N 1 1 327.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccnc(C)n2)CC1 ZINC001057252890 772347631 /nfs/dbraw/zinc/34/76/31/772347631.db2.gz WXISAVHPBUZXCU-INIZCTEOSA-N 1 1 327.432 0.921 20 30 ECEDMO C=CCOCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001057266831 772374639 /nfs/dbraw/zinc/37/46/39/772374639.db2.gz JQOUPNBSPIVDSC-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]21 ZINC001042267590 783010612 /nfs/dbraw/zinc/01/06/12/783010612.db2.gz YVQAJAOKDQKDSG-HIFRSBDPSA-N 1 1 339.399 0.995 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 ZINC001057292902 772415814 /nfs/dbraw/zinc/41/58/14/772415814.db2.gz HTKLFNCRXSCLCT-UHFFFAOYSA-N 1 1 349.435 0.167 20 30 ECEDMO Cc1ccc(C#N)c(NC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001057303162 772432959 /nfs/dbraw/zinc/43/29/59/772432959.db2.gz GQTHQPDQYGUNQK-INIZCTEOSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1ccc(C#N)c(NC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001057303162 772432962 /nfs/dbraw/zinc/43/29/62/772432962.db2.gz GQTHQPDQYGUNQK-INIZCTEOSA-N 1 1 343.431 0.995 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3cnc(C#N)cn3)CC2)C1 ZINC001057337175 772483216 /nfs/dbraw/zinc/48/32/16/772483216.db2.gz NXPHNRPMESKOJX-HNNXBMFYSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3cnc(C#N)cn3)CC2)C1 ZINC001057337175 772483219 /nfs/dbraw/zinc/48/32/19/772483219.db2.gz NXPHNRPMESKOJX-HNNXBMFYSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(CNc3ccc(C#N)cn3)CC2)C1 ZINC001057483870 772672354 /nfs/dbraw/zinc/67/23/54/772672354.db2.gz PPCKEVDKACRLGD-MRXNPFEDSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(CNc3ccc(C#N)cn3)CC2)C1 ZINC001057483870 772672357 /nfs/dbraw/zinc/67/23/57/772672357.db2.gz PPCKEVDKACRLGD-MRXNPFEDSA-N 1 1 343.431 0.934 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057533003 772727985 /nfs/dbraw/zinc/72/79/85/772727985.db2.gz GJXGRJYWKNWTTA-IRXDYDNUSA-N 1 1 347.459 0.211 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C)C1 ZINC001057539262 772734851 /nfs/dbraw/zinc/73/48/51/772734851.db2.gz UNTOAVDQRYMFDF-HNNXBMFYSA-N 1 1 337.464 0.315 20 30 ECEDMO Cc1nc(N[C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001057600910 772797542 /nfs/dbraw/zinc/79/75/42/772797542.db2.gz IPFAVEOTYCJAES-HOTGVXAUSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1nc(N[C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001057600910 772797544 /nfs/dbraw/zinc/79/75/44/772797544.db2.gz IPFAVEOTYCJAES-HOTGVXAUSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057635673 772842576 /nfs/dbraw/zinc/84/25/76/772842576.db2.gz GUWREVGDGJKYGG-CQSZACIVSA-N 1 1 325.453 0.478 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057636565 772844245 /nfs/dbraw/zinc/84/42/45/772844245.db2.gz UIGVBWMLTIARLL-PBHICJAKSA-N 1 1 325.453 0.478 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](Nc3cncc(C#N)n3)C2)O1 ZINC001057774294 772974969 /nfs/dbraw/zinc/97/49/69/772974969.db2.gz ITXSTDXURFOLJM-UMVBOHGHSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](Nc3cncc(C#N)n3)C2)O1 ZINC001057774294 772974972 /nfs/dbraw/zinc/97/49/72/772974972.db2.gz ITXSTDXURFOLJM-UMVBOHGHSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057811848 773014724 /nfs/dbraw/zinc/01/47/24/773014724.db2.gz IARVYYCVEGMLBT-XJKSGUPXSA-N 1 1 342.447 0.879 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057812162 773014912 /nfs/dbraw/zinc/01/49/12/773014912.db2.gz VYNQDNWOHFGPLV-CJNGLKHVSA-N 1 1 342.447 0.879 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001057823531 773034806 /nfs/dbraw/zinc/03/48/06/773034806.db2.gz UQMHDCZXEXHPGO-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO Cc1nsc(N2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1C#N ZINC001057845445 773063304 /nfs/dbraw/zinc/06/33/04/773063304.db2.gz GEQJQQQNHNMYJJ-CQSZACIVSA-N 1 1 349.460 0.739 20 30 ECEDMO Cc1nsc(N2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1C#N ZINC001057845445 773063306 /nfs/dbraw/zinc/06/33/06/773063306.db2.gz GEQJQQQNHNMYJJ-CQSZACIVSA-N 1 1 349.460 0.739 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057875210 773111363 /nfs/dbraw/zinc/11/13/63/773111363.db2.gz MVJBDSYTNZBKFF-KRWDZBQOSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001057876104 773113451 /nfs/dbraw/zinc/11/34/51/773113451.db2.gz BGKTWVRYFLJXJR-AWEZNQCLSA-N 1 1 334.420 0.664 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057918265 773182836 /nfs/dbraw/zinc/18/28/36/773182836.db2.gz IBKMMZREBNUVFS-UHFFFAOYSA-N 1 1 325.376 0.638 20 30 ECEDMO C=CCCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001057922086 773189236 /nfs/dbraw/zinc/18/92/36/773189236.db2.gz WSOUTRIQNBWPDI-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001057923269 773191401 /nfs/dbraw/zinc/19/14/01/773191401.db2.gz PSTRODQEFGTDRD-AWEZNQCLSA-N 1 1 343.468 0.245 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057945691 773245581 /nfs/dbraw/zinc/24/55/81/773245581.db2.gz CUKIFEBEKFFZLA-ZDUSSCGKSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057945686 773245891 /nfs/dbraw/zinc/24/58/91/773245891.db2.gz CUCKARBVVGDGEL-GXTWGEPZSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)CCC ZINC001057961081 773290423 /nfs/dbraw/zinc/29/04/23/773290423.db2.gz IIDSUZNPLBOIBG-CVEARBPZSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)CCC ZINC001057961081 773290429 /nfs/dbraw/zinc/29/04/29/773290429.db2.gz IIDSUZNPLBOIBG-CVEARBPZSA-N 1 1 337.464 0.457 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058056451 773446635 /nfs/dbraw/zinc/44/66/35/773446635.db2.gz WPTJNUMPNITRBH-ZDUSSCGKSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058087238 773508439 /nfs/dbraw/zinc/50/84/39/773508439.db2.gz KUWQBOLTRZWTCV-BBRMVZONSA-N 1 1 342.447 0.973 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058087339 773509108 /nfs/dbraw/zinc/50/91/08/773509108.db2.gz OKHRQSJKDYOEBJ-CJNGLKHVSA-N 1 1 342.447 0.973 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058113095 773559050 /nfs/dbraw/zinc/55/90/50/773559050.db2.gz WCKMMBQYKPRUJL-UHFFFAOYSA-N 1 1 334.420 0.322 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058134892 773605650 /nfs/dbraw/zinc/60/56/50/773605650.db2.gz QSMXDQLOXAPGJZ-ZFWWWQNUSA-N 1 1 347.394 0.508 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058134892 773605654 /nfs/dbraw/zinc/60/56/54/773605654.db2.gz QSMXDQLOXAPGJZ-ZFWWWQNUSA-N 1 1 347.394 0.508 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058167494 773683971 /nfs/dbraw/zinc/68/39/71/773683971.db2.gz DXNSTEWTPNHAOA-LSDHHAIUSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058167494 773683977 /nfs/dbraw/zinc/68/39/77/773683977.db2.gz DXNSTEWTPNHAOA-LSDHHAIUSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058167591 773684200 /nfs/dbraw/zinc/68/42/00/773684200.db2.gz GXNPNZTYMKBPRS-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058167591 773684205 /nfs/dbraw/zinc/68/42/05/773684205.db2.gz GXNPNZTYMKBPRS-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058219201 773793651 /nfs/dbraw/zinc/79/36/51/773793651.db2.gz NAOJVHXPJFJXEY-GJZGRUSLSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC)CCC1 ZINC001058254217 773851124 /nfs/dbraw/zinc/85/11/24/773851124.db2.gz ZCXOPQGPENRPCL-UHFFFAOYSA-N 1 1 337.464 0.459 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001058258007 773859731 /nfs/dbraw/zinc/85/97/31/773859731.db2.gz KVFXMEQYQXVHQU-VHDGCEQUSA-N 1 1 328.420 0.773 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cc(C)ncc3C#N)C2)C1 ZINC001058376636 774060922 /nfs/dbraw/zinc/06/09/22/774060922.db2.gz RTCFRACBNKYKGG-DOTOQJQBSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cc(C)ncc3C#N)C2)C1 ZINC001058376636 774060927 /nfs/dbraw/zinc/06/09/27/774060927.db2.gz RTCFRACBNKYKGG-DOTOQJQBSA-N 1 1 343.431 0.677 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001058435690 774175770 /nfs/dbraw/zinc/17/57/70/774175770.db2.gz PCAALFKUAJBLEQ-CABCVRRESA-N 1 1 327.469 0.724 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001058444636 774194246 /nfs/dbraw/zinc/19/42/46/774194246.db2.gz ZBWNRXDGNINAKP-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058468166 774243079 /nfs/dbraw/zinc/24/30/79/774243079.db2.gz BXJJHEUHPSJDMI-JKSUJKDBSA-N 1 1 339.480 0.868 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058582683 774475529 /nfs/dbraw/zinc/47/55/29/774475529.db2.gz PISIKHURXRAOAX-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)O1 ZINC001058588077 774486641 /nfs/dbraw/zinc/48/66/41/774486641.db2.gz RCLWVLZYGBQPAE-XNRPHZJLSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)O1 ZINC001058588077 774486644 /nfs/dbraw/zinc/48/66/44/774486644.db2.gz RCLWVLZYGBQPAE-XNRPHZJLSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nc(C)cc(OC)n2)C1 ZINC001058589677 774490948 /nfs/dbraw/zinc/49/09/48/774490948.db2.gz JXCALSPKISNZGZ-CABCVRRESA-N 1 1 343.431 0.586 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nc(C)cc(OC)n2)C1 ZINC001058589677 774490952 /nfs/dbraw/zinc/49/09/52/774490952.db2.gz JXCALSPKISNZGZ-CABCVRRESA-N 1 1 343.431 0.586 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(C)nc(OC)n2)C1 ZINC001058590257 774491891 /nfs/dbraw/zinc/49/18/91/774491891.db2.gz YBZFHPGDLIIECN-CABCVRRESA-N 1 1 343.431 0.586 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(C)nc(OC)n2)C1 ZINC001058590257 774491896 /nfs/dbraw/zinc/49/18/96/774491896.db2.gz YBZFHPGDLIIECN-CABCVRRESA-N 1 1 343.431 0.586 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(c1ccc(C#N)nn1)CC2 ZINC001058627334 774566421 /nfs/dbraw/zinc/56/64/21/774566421.db2.gz OSLRPAYFOPMNBU-CABCVRRESA-N 1 1 340.431 0.918 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CCN(c1ccc(C#N)nn1)CC2 ZINC001058627335 774566459 /nfs/dbraw/zinc/56/64/59/774566459.db2.gz OSLRPAYFOPMNBU-GJZGRUSLSA-N 1 1 340.431 0.918 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)Cc2ccn[nH]2)C1=O ZINC001044971392 774784667 /nfs/dbraw/zinc/78/46/67/774784667.db2.gz PNNUNEUQUYGKCM-GJZGRUSLSA-N 1 1 331.420 0.320 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001044998707 774815525 /nfs/dbraw/zinc/81/55/25/774815525.db2.gz MAMIKZNYAXLXTG-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001045059091 774911019 /nfs/dbraw/zinc/91/10/19/774911019.db2.gz LUFQWAKVHCVGIU-RRFJBIMHSA-N 1 1 337.464 0.618 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O ZINC001043874316 775172905 /nfs/dbraw/zinc/17/29/05/775172905.db2.gz HEOHMLWNIWRNQD-KBMXLJTQSA-N 1 1 332.379 0.457 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043909713 775285558 /nfs/dbraw/zinc/28/55/58/775285558.db2.gz MCLOZCZCKMLMKL-UHFFFAOYSA-N 1 1 346.431 0.649 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043910584 775289377 /nfs/dbraw/zinc/28/93/77/775289377.db2.gz SHDLMKHMOFDIFF-UHFFFAOYSA-N 1 1 334.420 0.483 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001045397031 775535078 /nfs/dbraw/zinc/53/50/78/775535078.db2.gz LFGAZVTVVLBORD-AWEZNQCLSA-N 1 1 346.431 0.410 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2nccn3ccnc23)[C@@H](n2ccnn2)C1 ZINC001070027671 790377778 /nfs/dbraw/zinc/37/77/78/790377778.db2.gz UMIKFAFZOFINCO-OLZOCXBDSA-N 1 1 338.375 0.162 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2nccn3ccnc23)[C@@H](n2ccnn2)C1 ZINC001070027671 790377796 /nfs/dbraw/zinc/37/77/96/790377796.db2.gz UMIKFAFZOFINCO-OLZOCXBDSA-N 1 1 338.375 0.162 20 30 ECEDMO C=CCn1cc(C(=O)NC2(C)CC[NH+](CC(=O)N(C)C)CC2)nn1 ZINC001045580816 775829415 /nfs/dbraw/zinc/82/94/15/775829415.db2.gz SKHLBYZATCMWIO-UHFFFAOYSA-N 1 1 334.424 0.137 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001045585950 775837122 /nfs/dbraw/zinc/83/71/22/775837122.db2.gz BNCNNVJFOJYVJY-LBPRGKRZSA-N 1 1 349.884 0.744 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070035036 790402156 /nfs/dbraw/zinc/40/21/56/790402156.db2.gz FBFXFVWKEWDOFI-CABCVRRESA-N 1 1 327.392 0.720 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070035036 790402163 /nfs/dbraw/zinc/40/21/63/790402163.db2.gz FBFXFVWKEWDOFI-CABCVRRESA-N 1 1 327.392 0.720 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@@H]1O ZINC001044318392 776137414 /nfs/dbraw/zinc/13/74/14/776137414.db2.gz NDHOWLPHPBBXHY-OLZOCXBDSA-N 1 1 346.416 0.194 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001044474969 776335833 /nfs/dbraw/zinc/33/58/33/776335833.db2.gz HBFSBHNURVLSPV-UHFFFAOYSA-N 1 1 339.480 0.866 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3ncc(C#N)cc3F)C[C@@H]2O)C1 ZINC001044546356 776416964 /nfs/dbraw/zinc/41/69/64/776416964.db2.gz CMFSGGHNRJAXKR-DFBGVHRSSA-N 1 1 347.394 0.100 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nncn3c2)[C@@H](n2ccnn2)C1 ZINC001070051887 790458130 /nfs/dbraw/zinc/45/81/30/790458130.db2.gz VPSKNBDNEKLKTM-KGLIPLIRSA-N 1 1 338.375 0.162 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3nncn3c2)[C@@H](n2ccnn2)C1 ZINC001070051887 790458134 /nfs/dbraw/zinc/45/81/34/790458134.db2.gz VPSKNBDNEKLKTM-KGLIPLIRSA-N 1 1 338.375 0.162 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O ZINC001044702894 776664252 /nfs/dbraw/zinc/66/42/52/776664252.db2.gz BCVZVQLTULNDTP-OAGGEKHMSA-N 1 1 343.431 0.493 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001079686410 776684355 /nfs/dbraw/zinc/68/43/55/776684355.db2.gz CKPAZWZAYWXBHK-KDOFPFPSSA-N 1 1 337.464 0.715 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3nnn(C)n3)C[C@H]2C)c1 ZINC001044743565 776729016 /nfs/dbraw/zinc/72/90/16/776729016.db2.gz WHVCGVLFCFMCPO-IUODEOHRSA-N 1 1 339.403 0.369 20 30 ECEDMO CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001079732682 776772102 /nfs/dbraw/zinc/77/21/02/776772102.db2.gz KFDYPLXMWGBJMC-WBVHZDCISA-N 1 1 347.459 0.568 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001079777325 776853592 /nfs/dbraw/zinc/85/35/92/776853592.db2.gz XSCGURUCUKACCQ-CQSZACIVSA-N 1 1 337.464 0.814 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001079850316 776975037 /nfs/dbraw/zinc/97/50/37/776975037.db2.gz KHRURJLBKJHLTL-HUUCEWRRSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001079850316 776975040 /nfs/dbraw/zinc/97/50/40/776975040.db2.gz KHRURJLBKJHLTL-HUUCEWRRSA-N 1 1 330.432 0.957 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1CN(C(=O)C#CC(C)C)C1 ZINC001079865491 776998460 /nfs/dbraw/zinc/99/84/60/776998460.db2.gz GKXMZESAHDHLLS-MRXNPFEDSA-N 1 1 335.448 0.426 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1CN(C(=O)C#CC(C)C)C1 ZINC001079865491 776998461 /nfs/dbraw/zinc/99/84/61/776998461.db2.gz GKXMZESAHDHLLS-MRXNPFEDSA-N 1 1 335.448 0.426 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@@H](n2ccnn2)C1 ZINC001070069091 790500158 /nfs/dbraw/zinc/50/01/58/790500158.db2.gz DZICAEUQGZHHGG-CABCVRRESA-N 1 1 342.403 0.506 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@@H](n2ccnn2)C1 ZINC001070069091 790500164 /nfs/dbraw/zinc/50/01/64/790500164.db2.gz DZICAEUQGZHHGG-CABCVRRESA-N 1 1 342.403 0.506 20 30 ECEDMO C#CCC1(C(=O)N(CC)C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CCC1 ZINC001079890571 777029975 /nfs/dbraw/zinc/02/99/75/777029975.db2.gz YWVVFNOYRGUIMC-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC1(C(=O)N(CC)C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CCC1 ZINC001079890571 777029980 /nfs/dbraw/zinc/02/99/80/777029980.db2.gz YWVVFNOYRGUIMC-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001079928980 777098791 /nfs/dbraw/zinc/09/87/91/777098791.db2.gz ZVLGIWJMCHCXAX-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC001068537157 790508515 /nfs/dbraw/zinc/50/85/15/790508515.db2.gz DNLKWQVZCLEJCV-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001079978202 777182830 /nfs/dbraw/zinc/18/28/30/777182830.db2.gz FIFRBOCKBAEKGC-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001080107384 777401907 /nfs/dbraw/zinc/40/19/07/777401907.db2.gz CFJSLMONUPEAOL-AWEZNQCLSA-N 1 1 332.404 0.289 20 30 ECEDMO CCN(C(=O)Cn1c[nH+]c2c1CCCC2)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001080108919 777403927 /nfs/dbraw/zinc/40/39/27/777403927.db2.gz RDOJYJJCANTNQA-ZDUSSCGKSA-N 1 1 343.431 0.981 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(CC)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001080191665 777528698 /nfs/dbraw/zinc/52/86/98/777528698.db2.gz VGBHDJBYMDSISN-UHFFFAOYSA-N 1 1 331.420 0.901 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261298 777622532 /nfs/dbraw/zinc/62/25/32/777622532.db2.gz JKQDYYISWRSSNP-DIOULYMOSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261298 777622537 /nfs/dbraw/zinc/62/25/37/777622537.db2.gz JKQDYYISWRSSNP-DIOULYMOSA-N 1 1 344.390 0.770 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2C)c1 ZINC001080410775 777810479 /nfs/dbraw/zinc/81/04/79/777810479.db2.gz SIVYZSVBQMEUAG-PBFPGSCMSA-N 1 1 340.427 0.780 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2C)c1 ZINC001080410775 777810486 /nfs/dbraw/zinc/81/04/86/777810486.db2.gz SIVYZSVBQMEUAG-PBFPGSCMSA-N 1 1 340.427 0.780 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070093800 790580962 /nfs/dbraw/zinc/58/09/62/790580962.db2.gz HXWVQPCSXKBBGC-CABCVRRESA-N 1 1 329.408 0.388 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070093800 790580969 /nfs/dbraw/zinc/58/09/69/790580969.db2.gz HXWVQPCSXKBBGC-CABCVRRESA-N 1 1 329.408 0.388 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@H]2C)nn1 ZINC001080577514 778082296 /nfs/dbraw/zinc/08/22/96/778082296.db2.gz FIVFIWGMUYJIIJ-IUODEOHRSA-N 1 1 341.419 0.813 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ncn3)C[C@H]2C)nn1 ZINC001080577514 778082303 /nfs/dbraw/zinc/08/23/03/778082303.db2.gz FIVFIWGMUYJIIJ-IUODEOHRSA-N 1 1 341.419 0.813 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)nn1 ZINC001080589709 778101465 /nfs/dbraw/zinc/10/14/65/778101465.db2.gz HSMSZZDJJFIIAP-ZIAGYGMSSA-N 1 1 344.423 0.196 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001043319341 778152201 /nfs/dbraw/zinc/15/22/01/778152201.db2.gz FEFDDZVBQNSEQV-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CCC1 ZINC001043347834 778200104 /nfs/dbraw/zinc/20/01/04/778200104.db2.gz AFLCWAUKMDXFKX-GJZGRUSLSA-N 1 1 347.459 0.067 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043430242 778316504 /nfs/dbraw/zinc/31/65/04/778316504.db2.gz JEFDUXUFCGLSFI-AWEZNQCLSA-N 1 1 325.453 0.618 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102491 790613234 /nfs/dbraw/zinc/61/32/34/790613234.db2.gz NQKFLLSQURGAEY-IKGGRYGDSA-N 1 1 344.463 0.517 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 ZINC001043461763 778371762 /nfs/dbraw/zinc/37/17/62/778371762.db2.gz DDVNDEYWSCZEKH-KBPBESRZSA-N 1 1 336.436 0.098 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043577351 778540329 /nfs/dbraw/zinc/54/03/29/778540329.db2.gz SEUVRNOBWYDWPP-KFWWJZLASA-N 1 1 342.447 0.903 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2nn(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070109157 790633110 /nfs/dbraw/zinc/63/31/10/790633110.db2.gz IETBDROILUEAAN-KGLIPLIRSA-N 1 1 344.423 0.429 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2nn(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070109157 790633113 /nfs/dbraw/zinc/63/31/13/790633113.db2.gz IETBDROILUEAAN-KGLIPLIRSA-N 1 1 344.423 0.429 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)C#CC3CC3)CCOCC2)C1 ZINC001070111895 790641902 /nfs/dbraw/zinc/64/19/02/790641902.db2.gz DUCASVOWGQBWOP-OAHLLOKOSA-N 1 1 347.459 0.523 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001043799267 778884166 /nfs/dbraw/zinc/88/41/66/778884166.db2.gz BMQQXKVGZVJDNN-HNNXBMFYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070144218 790742523 /nfs/dbraw/zinc/74/25/23/790742523.db2.gz ATUIDQRRPCHYHG-CABCVRRESA-N 1 1 329.408 0.795 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@H]21 ZINC001042271443 779952101 /nfs/dbraw/zinc/95/21/01/779952101.db2.gz YFRMDXJXOQVNGN-LSDHHAIUSA-N 1 1 346.431 0.426 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cnccc3=O)C[C@@H]21 ZINC001042292958 780007633 /nfs/dbraw/zinc/00/76/33/780007633.db2.gz ZKRBNSSABKXQGJ-CVEARBPZSA-N 1 1 328.416 0.580 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 ZINC001042302664 780024097 /nfs/dbraw/zinc/02/40/97/780024097.db2.gz WDJZNMPMPVSLON-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]21 ZINC001042312021 780051214 /nfs/dbraw/zinc/05/12/14/780051214.db2.gz LYWOORXICXLEBL-NWDGAFQWSA-N 1 1 346.387 0.456 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@H]21 ZINC001042317422 780062266 /nfs/dbraw/zinc/06/22/66/780062266.db2.gz XXOLJWJGNRUDDZ-MLGOLLRUSA-N 1 1 337.379 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1ccc(C)n1 ZINC001078513374 780064826 /nfs/dbraw/zinc/06/48/26/780064826.db2.gz LMVBBHNUSGOUPC-HOCLYGCPSA-N 1 1 345.447 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1ccc(C)n1 ZINC001078513374 780064832 /nfs/dbraw/zinc/06/48/32/780064832.db2.gz LMVBBHNUSGOUPC-HOCLYGCPSA-N 1 1 345.447 0.300 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001078537805 780099120 /nfs/dbraw/zinc/09/91/20/780099120.db2.gz AWZFJINKNKUHAD-CFVMTHIKSA-N 1 1 334.420 0.794 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]21 ZINC001042353358 780125397 /nfs/dbraw/zinc/12/53/97/780125397.db2.gz LQXVALQMJYXBPC-HIFRSBDPSA-N 1 1 346.431 0.989 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@H]21 ZINC001042376383 780165803 /nfs/dbraw/zinc/16/58/03/780165803.db2.gz REQPANCPNIYOBJ-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]21 ZINC001042380709 780176373 /nfs/dbraw/zinc/17/63/73/780176373.db2.gz WKOCTMYNYNUHJZ-CZUORRHYSA-N 1 1 326.400 0.740 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001070155959 790775063 /nfs/dbraw/zinc/77/50/63/790775063.db2.gz KZUCQVQMYZXJLF-AGIUHOORSA-N 1 1 327.816 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001078662090 780313747 /nfs/dbraw/zinc/31/37/47/780313747.db2.gz FBIWDMJBXMSOET-XUWVNRHRSA-N 1 1 335.448 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001078662090 780313751 /nfs/dbraw/zinc/31/37/51/780313751.db2.gz FBIWDMJBXMSOET-XUWVNRHRSA-N 1 1 335.448 0.663 20 30 ECEDMO Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)o1 ZINC001070159931 790787540 /nfs/dbraw/zinc/78/75/40/790787540.db2.gz WIRGEFUQIBEVNE-GDLCADMTSA-N 1 1 343.391 0.584 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@@H]1n1ccnn1 ZINC001070159725 790787592 /nfs/dbraw/zinc/78/75/92/790787592.db2.gz PBGDFAXDBLYWJI-OLZOCXBDSA-N 1 1 335.799 0.717 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001078885044 780582757 /nfs/dbraw/zinc/58/27/57/780582757.db2.gz SYDJJFKKKQFVMA-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001042664105 780607031 /nfs/dbraw/zinc/60/70/31/780607031.db2.gz NVPJJKXQZTWWPY-IYBDPMFKSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001042664209 780608514 /nfs/dbraw/zinc/60/85/14/780608514.db2.gz QORLXXTXMMHXCQ-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001079165709 780847836 /nfs/dbraw/zinc/84/78/36/780847836.db2.gz DZTQJUCPGLSDEB-ZDUSSCGKSA-N 1 1 347.423 0.009 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001042802951 780849721 /nfs/dbraw/zinc/84/97/21/780849721.db2.gz PPQUSHRLXAXAKJ-HZPDHXFCSA-N 1 1 347.459 0.496 20 30 ECEDMO CN(c1ccc(C#N)nc1)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001068663981 790836518 /nfs/dbraw/zinc/83/65/18/790836518.db2.gz RJGDVVSTDKZVHG-KRWDZBQOSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(c1ccc(C#N)nc1)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001068663981 790836528 /nfs/dbraw/zinc/83/65/28/790836528.db2.gz RJGDVVSTDKZVHG-KRWDZBQOSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)CCc3c[nH]nn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079261718 780933685 /nfs/dbraw/zinc/93/36/85/780933685.db2.gz DUYQHMYHKDADQR-JKSUJKDBSA-N 1 1 343.431 0.310 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)CCc3cnn[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079261718 780933691 /nfs/dbraw/zinc/93/36/91/780933691.db2.gz DUYQHMYHKDADQR-JKSUJKDBSA-N 1 1 343.431 0.310 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001079344935 781010024 /nfs/dbraw/zinc/01/00/24/781010024.db2.gz SEWMUNSYZRKUCN-ZDUSSCGKSA-N 1 1 338.477 0.644 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042948765 781085155 /nfs/dbraw/zinc/08/51/55/781085155.db2.gz MBOROGCTZACISC-OWCLPIDISA-N 1 1 343.431 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2csnc2OC)C1 ZINC001042961903 781104710 /nfs/dbraw/zinc/10/47/10/781104710.db2.gz ACIAJOYIGJFHCX-HNNXBMFYSA-N 1 1 348.472 0.892 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2csnc2OC)C1 ZINC001042961903 781104713 /nfs/dbraw/zinc/10/47/13/781104713.db2.gz ACIAJOYIGJFHCX-HNNXBMFYSA-N 1 1 348.472 0.892 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)C1 ZINC001042969712 781117028 /nfs/dbraw/zinc/11/70/28/781117028.db2.gz ZSAKYBOQPLBITQ-CQSZACIVSA-N 1 1 335.448 0.067 20 30 ECEDMO CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001042974517 781124440 /nfs/dbraw/zinc/12/44/40/781124440.db2.gz KCZORKCQMMKAPP-BFHYXJOUSA-N 1 1 344.419 0.010 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042976969 781127477 /nfs/dbraw/zinc/12/74/77/781127477.db2.gz BCMMHUDQGCTESF-NUEKZKHPSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001079468973 781155194 /nfs/dbraw/zinc/15/51/94/781155194.db2.gz QHTNNKWZVNXYOL-DAXOMENPSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001079468973 781155195 /nfs/dbraw/zinc/15/51/95/781155195.db2.gz QHTNNKWZVNXYOL-DAXOMENPSA-N 1 1 345.447 0.566 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001043011662 781177941 /nfs/dbraw/zinc/17/79/41/781177941.db2.gz MWWIUHCXJKFYRM-NMFUWQPSSA-N 1 1 344.419 0.008 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079540369 781241278 /nfs/dbraw/zinc/24/12/78/781241278.db2.gz SLKVFESOEOVHMG-UXIGCNINSA-N 1 1 339.403 0.715 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079601061 781307172 /nfs/dbraw/zinc/30/71/72/781307172.db2.gz GPMACLNWWCNBGA-XJKCOSOUSA-N 1 1 343.431 0.853 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602308 781308916 /nfs/dbraw/zinc/30/89/16/781308916.db2.gz HJVNAHSRZXHMTD-IUODEOHRSA-N 1 1 340.387 0.492 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602308 781308922 /nfs/dbraw/zinc/30/89/22/781308922.db2.gz HJVNAHSRZXHMTD-IUODEOHRSA-N 1 1 340.387 0.492 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077679039 781491890 /nfs/dbraw/zinc/49/18/90/781491890.db2.gz FKUHBSPSGDMEDI-BMGDILEWSA-N 1 1 342.443 0.561 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 ZINC001077687307 781513764 /nfs/dbraw/zinc/51/37/64/781513764.db2.gz JZTAZMKYIRWJLP-GDBMZVCRSA-N 1 1 333.436 0.284 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNc2cnc(C#N)cn2)C1 ZINC001041478461 781594985 /nfs/dbraw/zinc/59/49/85/781594985.db2.gz AZQYHIOAIGDMPK-GJZGRUSLSA-N 1 1 344.419 0.472 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001077795857 781710002 /nfs/dbraw/zinc/71/00/02/781710002.db2.gz ZUCUBXGRCNADRM-ARFHVFGLSA-N 1 1 328.412 0.910 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001077795857 781710006 /nfs/dbraw/zinc/71/00/06/781710006.db2.gz ZUCUBXGRCNADRM-ARFHVFGLSA-N 1 1 328.412 0.910 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001041545380 781740876 /nfs/dbraw/zinc/74/08/76/781740876.db2.gz VKTAECZDRXSDID-FZKQIMNGSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2O)nn1 ZINC001077813071 781741681 /nfs/dbraw/zinc/74/16/81/781741681.db2.gz YRDSTKDFHOYXOT-IIAWOOMASA-N 1 1 349.435 0.198 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1c(C)n[nH]c1C ZINC001077816493 781750475 /nfs/dbraw/zinc/75/04/75/781750475.db2.gz JRMLNNMYUJMLDD-WFASDCNBSA-N 1 1 345.447 0.749 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1c(C)n[nH]c1C ZINC001077816493 781750483 /nfs/dbraw/zinc/75/04/83/781750483.db2.gz JRMLNNMYUJMLDD-WFASDCNBSA-N 1 1 345.447 0.749 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)cc1F ZINC001041616679 781862200 /nfs/dbraw/zinc/86/22/00/781862200.db2.gz MVGPYVGYKYYGFJ-KRWDZBQOSA-N 1 1 330.363 0.607 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)c(F)c1 ZINC001041622696 781872963 /nfs/dbraw/zinc/87/29/63/781872963.db2.gz JYXYWCDJDREZFE-QGZVFWFLSA-N 1 1 330.363 0.607 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)CCOC1 ZINC001077900631 781903183 /nfs/dbraw/zinc/90/31/83/781903183.db2.gz HNXDLYKOWLFVPZ-NUJGCVRESA-N 1 1 329.400 0.646 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)CCOC1 ZINC001077900631 781903193 /nfs/dbraw/zinc/90/31/93/781903193.db2.gz HNXDLYKOWLFVPZ-NUJGCVRESA-N 1 1 329.400 0.646 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(c2ccncc2C#N)CCCO1 ZINC001039908241 783258471 /nfs/dbraw/zinc/25/84/71/783258471.db2.gz ULBVFBOMPICIST-DOTOQJQBSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(c3ccc(C#N)nc3)CCCO2)C1 ZINC001039915855 783277085 /nfs/dbraw/zinc/27/70/85/783277085.db2.gz WEZVVDVFMROIGM-PBHICJAKSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001040728099 783338794 /nfs/dbraw/zinc/33/87/94/783338794.db2.gz WPYYYSCNHKFQET-QAPCUYQASA-N 1 1 337.464 0.764 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 ZINC001040764714 783388395 /nfs/dbraw/zinc/38/83/95/783388395.db2.gz YCMYAAQNRPFMBK-DYVFJYSZSA-N 1 1 347.419 0.211 20 30 ECEDMO C#CCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001040059006 783460265 /nfs/dbraw/zinc/46/02/65/783460265.db2.gz DPDHTTFKEDLBCP-HNAYVOBHSA-N 1 1 347.459 0.354 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1(CNC(=O)C#CC(C)C)CCOCC1 ZINC001070167649 783582791 /nfs/dbraw/zinc/58/27/91/783582791.db2.gz BAHJBGCQSFYZMC-UHFFFAOYSA-N 1 1 346.431 0.633 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1n1ccnn1 ZINC001070185182 783615829 /nfs/dbraw/zinc/61/58/29/783615829.db2.gz ICGXOGYCDPYFTI-KGLIPLIRSA-N 1 1 347.810 0.405 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1n1ccnn1 ZINC001070193828 783627804 /nfs/dbraw/zinc/62/78/04/783627804.db2.gz SNCFOKWEOGMONJ-KGLIPLIRSA-N 1 1 349.826 0.348 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001070194950 783634008 /nfs/dbraw/zinc/63/40/08/783634008.db2.gz WCMXRZCDNJDCGT-KFWWJZLASA-N 1 1 341.419 0.649 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC001070233125 783709521 /nfs/dbraw/zinc/70/95/21/783709521.db2.gz ZXCKOEMMOZAXON-KBPBESRZSA-N 1 1 336.436 0.269 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)cc2)C1 ZINC001038134491 783899746 /nfs/dbraw/zinc/89/97/46/783899746.db2.gz FOUXQYTWPSSFSD-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)cc2)C1 ZINC001038134491 783899752 /nfs/dbraw/zinc/89/97/52/783899752.db2.gz FOUXQYTWPSSFSD-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CC#Cc2ccc(F)cc2)C1 ZINC001038138825 783906975 /nfs/dbraw/zinc/90/69/75/783906975.db2.gz YAUGHGBZCDACPI-MSOLQXFVSA-N 1 1 345.418 0.698 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CC#Cc2ccc(F)cc2)C1 ZINC001038138825 783906980 /nfs/dbraw/zinc/90/69/80/783906980.db2.gz YAUGHGBZCDACPI-MSOLQXFVSA-N 1 1 345.418 0.698 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CCNC2=O)C1 ZINC001070386576 783932403 /nfs/dbraw/zinc/93/24/03/783932403.db2.gz ZEXAFTAIROYTJF-GJZGRUSLSA-N 1 1 344.415 0.473 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C[C@H]2CCc3ncnn32)c[nH]1 ZINC001038176213 783952074 /nfs/dbraw/zinc/95/20/74/783952074.db2.gz YLZDSGWEQNRGRL-ZIAGYGMSSA-N 1 1 325.376 0.469 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccnn2C)C1 ZINC001070397604 783961729 /nfs/dbraw/zinc/96/17/29/783961729.db2.gz FUPFEVVFJCUGFW-CYBMUJFWSA-N 1 1 326.404 0.886 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCN2C)C1 ZINC001070400164 783967834 /nfs/dbraw/zinc/96/78/34/783967834.db2.gz SJYBQZVXVSNVIB-HOCLYGCPSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCN2C)C1 ZINC001070400164 783967842 /nfs/dbraw/zinc/96/78/42/783967842.db2.gz SJYBQZVXVSNVIB-HOCLYGCPSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nnn(C)c2C)C1 ZINC001070400948 783969779 /nfs/dbraw/zinc/96/97/79/783969779.db2.gz GQFNASSJFVUQBC-GFCCVEGCSA-N 1 1 327.392 0.199 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001070403228 783977397 /nfs/dbraw/zinc/97/73/97/783977397.db2.gz NXCOWRWEICJBGS-ZBFHGGJFSA-N 1 1 347.463 0.722 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001070406115 783985884 /nfs/dbraw/zinc/98/58/84/783985884.db2.gz MBBJEKCMKVPGCN-CQSZACIVSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001070412567 784005118 /nfs/dbraw/zinc/00/51/18/784005118.db2.gz DODLYMWTIIMSDS-XEZPLFJOSA-N 1 1 332.404 0.252 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001070413186 784009193 /nfs/dbraw/zinc/00/91/93/784009193.db2.gz WCLZTJMLTKPMBN-TZMCWYRMSA-N 1 1 331.420 0.670 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2CC)C1 ZINC001070414621 784014134 /nfs/dbraw/zinc/01/41/34/784014134.db2.gz QVYCGEWTIYOMQV-GOEBONIOSA-N 1 1 347.463 0.722 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2CC)C1 ZINC001070414620 784015034 /nfs/dbraw/zinc/01/50/34/784015034.db2.gz QVYCGEWTIYOMQV-GDBMZVCRSA-N 1 1 347.463 0.722 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2csc(=O)[nH]2)C1 ZINC001070419708 784026364 /nfs/dbraw/zinc/02/63/64/784026364.db2.gz GTHOQIWKLSKXLD-JTQLQIEISA-N 1 1 331.401 0.924 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2[nH]nnc2C)C1 ZINC001070420354 784028811 /nfs/dbraw/zinc/02/88/11/784028811.db2.gz XNHLCQZXLQKXNV-GFCCVEGCSA-N 1 1 327.392 0.579 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001070421564 784031683 /nfs/dbraw/zinc/03/16/83/784031683.db2.gz PVKZKXZTNBEECO-ZFWWWQNUSA-N 1 1 343.431 0.317 20 30 ECEDMO C#Cc1cncc(C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCO)C2)c1 ZINC001070422667 784033820 /nfs/dbraw/zinc/03/38/20/784033820.db2.gz FSDASHRNKQYQTB-CQSZACIVSA-N 1 1 339.399 0.498 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001070422900 784035864 /nfs/dbraw/zinc/03/58/64/784035864.db2.gz KZXGWAHGXQGEGU-GFCCVEGCSA-N 1 1 342.403 0.591 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001070423253 784036997 /nfs/dbraw/zinc/03/69/97/784036997.db2.gz UORSKSVWBKNJFC-JSGCOSHPSA-N 1 1 346.435 0.463 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccn(CC)n2)C1 ZINC001070426441 784043005 /nfs/dbraw/zinc/04/30/05/784043005.db2.gz UJZABOMRGVADTC-ZDUSSCGKSA-N 1 1 326.404 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001070433752 784059835 /nfs/dbraw/zinc/05/98/35/784059835.db2.gz CPHPUDQJBGSPLF-ZDUSSCGKSA-N 1 1 325.372 0.863 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)CC1(O)CCC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442963 784088293 /nfs/dbraw/zinc/08/82/93/784088293.db2.gz UIPZHKLGTLQNGP-AWEZNQCLSA-N 1 1 345.447 0.832 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)Cc1ccon1)C[C@H]2c1nnc(C)[nH]1 ZINC001070443055 784089146 /nfs/dbraw/zinc/08/91/46/784089146.db2.gz WFDPVESENAIEBI-AWEZNQCLSA-N 1 1 342.403 0.758 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444943 784095530 /nfs/dbraw/zinc/09/55/30/784095530.db2.gz XYBWFRKSHBXAIK-OAHLLOKOSA-N 1 1 325.416 0.940 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)CC(C)(C)O)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446113 784099337 /nfs/dbraw/zinc/09/93/37/784099337.db2.gz SKNCRGUYXXWNBB-CYBMUJFWSA-N 1 1 333.436 0.688 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1n[nH]cc1F)C[C@@H]2c1nnc(C)[nH]1 ZINC001070447998 784104126 /nfs/dbraw/zinc/10/41/26/784104126.db2.gz SPVMWTXEMUOZQC-LLVKDONJSA-N 1 1 345.382 0.703 20 30 ECEDMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913592 784104914 /nfs/dbraw/zinc/10/49/14/784104914.db2.gz QRYVKFXWQOEGJO-XHSDSOJGSA-N 1 1 331.416 0.914 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916555 784108737 /nfs/dbraw/zinc/10/87/37/784108737.db2.gz PMYOSVKFYNJIKJ-GUTXKFCHSA-N 1 1 346.387 0.970 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ncccn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070450619 784110638 /nfs/dbraw/zinc/11/06/38/784110638.db2.gz LYKMUGGDOGHOER-CYBMUJFWSA-N 1 1 339.403 0.631 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001070919800 784114849 /nfs/dbraw/zinc/11/48/49/784114849.db2.gz VDPGTTGJPYNDQT-UPJWGTAASA-N 1 1 346.391 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)COC(C)C)C1 ZINC001070921616 784118622 /nfs/dbraw/zinc/11/86/22/784118622.db2.gz GDKAUXGILZSLPA-CVEARBPZSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)COC(C)C)C1 ZINC001070921616 784118632 /nfs/dbraw/zinc/11/86/32/784118632.db2.gz GDKAUXGILZSLPA-CVEARBPZSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)CCOC)C1 ZINC001070921982 784119911 /nfs/dbraw/zinc/11/99/11/784119911.db2.gz VSPYXPANSYYEGV-BBWFWOEESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)CCOC)C1 ZINC001070921982 784119917 /nfs/dbraw/zinc/11/99/17/784119917.db2.gz VSPYXPANSYYEGV-BBWFWOEESA-N 1 1 349.475 0.864 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070927194 784131298 /nfs/dbraw/zinc/13/12/98/784131298.db2.gz YLZXKYJCLOJRLR-BZUAXINKSA-N 1 1 335.448 0.472 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070927194 784131304 /nfs/dbraw/zinc/13/13/04/784131304.db2.gz YLZXKYJCLOJRLR-BZUAXINKSA-N 1 1 335.448 0.472 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)n2cccn2)CC1 ZINC001070940735 784171948 /nfs/dbraw/zinc/17/19/48/784171948.db2.gz SSYCKPUOZXCTPP-OAHLLOKOSA-N 1 1 333.436 0.671 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)n2cccn2)CC1 ZINC001070940735 784171951 /nfs/dbraw/zinc/17/19/51/784171951.db2.gz SSYCKPUOZXCTPP-OAHLLOKOSA-N 1 1 333.436 0.671 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC001070946912 784191410 /nfs/dbraw/zinc/19/14/10/784191410.db2.gz BBJHQQRVKITKTQ-GFCCVEGCSA-N 1 1 342.390 0.842 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CC2CC(F)(F)C2)CC1 ZINC001070946912 784191414 /nfs/dbraw/zinc/19/14/14/784191414.db2.gz BBJHQQRVKITKTQ-GFCCVEGCSA-N 1 1 342.390 0.842 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(C)c2ccc(C#N)nn2)CC1 ZINC001068727353 791007073 /nfs/dbraw/zinc/00/70/73/791007073.db2.gz NWVGPURJTRDTNQ-CZUORRHYSA-N 1 1 342.447 0.973 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CC(C)(C)O)CC1 ZINC001070958544 784228844 /nfs/dbraw/zinc/22/88/44/784228844.db2.gz FZJFGJKWVNRIPS-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CCC=C)CC1 ZINC001070970388 784268770 /nfs/dbraw/zinc/26/87/70/784268770.db2.gz BXHXTRMPRIMAKL-KRWDZBQOSA-N 1 1 346.475 0.311 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CC2CC2)CC1 ZINC001070970743 784270644 /nfs/dbraw/zinc/27/06/44/784270644.db2.gz VGGCRLIMNHNXBQ-KRWDZBQOSA-N 1 1 346.475 0.145 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC001070970774 784270682 /nfs/dbraw/zinc/27/06/82/784270682.db2.gz XHKLSYCDHKVSAN-UHFFFAOYSA-N 1 1 347.419 0.116 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC001070970774 784270689 /nfs/dbraw/zinc/27/06/89/784270689.db2.gz XHKLSYCDHKVSAN-UHFFFAOYSA-N 1 1 347.419 0.116 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cn(C)nc2C)CC1 ZINC001070971890 784276944 /nfs/dbraw/zinc/27/69/44/784276944.db2.gz XUBBKEBHWANVSV-UHFFFAOYSA-N 1 1 347.463 0.498 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cn(C)nc2C)CC1 ZINC001070971890 784276946 /nfs/dbraw/zinc/27/69/46/784276946.db2.gz XUBBKEBHWANVSV-UHFFFAOYSA-N 1 1 347.463 0.498 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2[nH]c(C)cc2C)CC1 ZINC001070975437 784288361 /nfs/dbraw/zinc/28/83/61/784288361.db2.gz OZSXGDONJGTAJK-UHFFFAOYSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2[nH]c(C)cc2C)CC1 ZINC001070975437 784288367 /nfs/dbraw/zinc/28/83/67/784288367.db2.gz OZSXGDONJGTAJK-UHFFFAOYSA-N 1 1 330.432 0.919 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2nccn2C)CC1 ZINC001070982576 784315126 /nfs/dbraw/zinc/31/51/26/784315126.db2.gz AQXBCKAYKAEPOH-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001070998749 784365166 /nfs/dbraw/zinc/36/51/66/784365166.db2.gz QYIXNYPQBGPBAS-MRXNPFEDSA-N 1 1 336.480 0.697 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2n[nH]nc2C)n1 ZINC001070598174 784410619 /nfs/dbraw/zinc/41/06/19/784410619.db2.gz PYWIUFSAMBFMPP-STQMWFEESA-N 1 1 345.407 0.837 20 30 ECEDMO CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)[C@H]3CC[N@@H+](C)C3)n2)N(CC#N)C1 ZINC001070605975 784428415 /nfs/dbraw/zinc/42/84/15/784428415.db2.gz FEFIHMRXIQTAPD-SOUVJXGZSA-N 1 1 346.435 0.386 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC001071020653 784440239 /nfs/dbraw/zinc/44/02/39/784440239.db2.gz NUYXEUKOJYHCTJ-UHFFFAOYSA-N 1 1 347.463 0.796 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC001071020653 784440242 /nfs/dbraw/zinc/44/02/42/784440242.db2.gz NUYXEUKOJYHCTJ-UHFFFAOYSA-N 1 1 347.463 0.796 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC001071021756 784442764 /nfs/dbraw/zinc/44/27/64/784442764.db2.gz FDWACMFLDMHJFB-INIZCTEOSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC001071021756 784442768 /nfs/dbraw/zinc/44/27/68/784442768.db2.gz FDWACMFLDMHJFB-INIZCTEOSA-N 1 1 335.448 0.477 20 30 ECEDMO Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cncn1C ZINC001070630104 784461130 /nfs/dbraw/zinc/46/11/30/784461130.db2.gz CEIMMENFBUEIHS-UXIGCNINSA-N 1 1 342.403 0.960 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@H]1c1cncn1C ZINC001070675670 784535383 /nfs/dbraw/zinc/53/53/83/784535383.db2.gz OWMBSYCUXSVQOP-GDBMZVCRSA-N 1 1 340.431 0.927 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 ZINC001071133702 784577111 /nfs/dbraw/zinc/57/71/11/784577111.db2.gz FQLZLLISFSVDJR-ZBFHGGJFSA-N 1 1 334.424 0.331 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 ZINC001071133701 784577273 /nfs/dbraw/zinc/57/72/73/784577273.db2.gz FQLZLLISFSVDJR-HOCLYGCPSA-N 1 1 334.424 0.331 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)C[C@H](C)O2 ZINC001071136189 784582247 /nfs/dbraw/zinc/58/22/47/784582247.db2.gz FZXZCKXLSVFVSO-DOTOQJQBSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@@H](C)O2 ZINC001071160130 784629198 /nfs/dbraw/zinc/62/91/98/784629198.db2.gz XMFXLJCYONMRAO-KDOFPFPSSA-N 1 1 335.448 0.733 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC1OCCCO1)C[C@@H](C)O2 ZINC001071161156 784630724 /nfs/dbraw/zinc/63/07/24/784630724.db2.gz FMJGAYRHLUBCFD-QAPCUYQASA-N 1 1 336.432 0.855 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC1OCCCO1)C[C@H](C)O2 ZINC001071162861 784634475 /nfs/dbraw/zinc/63/44/75/784634475.db2.gz YNMSNRHZSGEUSR-YJBOKZPZSA-N 1 1 336.432 0.855 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(CC)n1)C[C@H](C)O2 ZINC001071165219 784639424 /nfs/dbraw/zinc/63/94/24/784639424.db2.gz ZJPUAROGJZXSNP-WMLDXEAASA-N 1 1 331.420 0.627 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@@H](C)O2 ZINC001071169071 784647810 /nfs/dbraw/zinc/64/78/10/784647810.db2.gz LRVVHXPGQHMSBH-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(C)nc1OC)C[C@H](C)O2 ZINC001071173441 784658698 /nfs/dbraw/zinc/65/86/98/784658698.db2.gz INODZZHRPSPFDI-SCLBCKFNSA-N 1 1 344.415 0.732 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(C)nc1OC)C[C@H](C)O2 ZINC001071173441 784658703 /nfs/dbraw/zinc/65/87/03/784658703.db2.gz INODZZHRPSPFDI-SCLBCKFNSA-N 1 1 344.415 0.732 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)C[C@@H](C)O2 ZINC001071173463 784658800 /nfs/dbraw/zinc/65/88/00/784658800.db2.gz IZFXPQPXBKVOSX-PXAZEXFGSA-N 1 1 340.387 0.292 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)C[C@@H](C)O2 ZINC001071173463 784658805 /nfs/dbraw/zinc/65/88/05/784658805.db2.gz IZFXPQPXBKVOSX-PXAZEXFGSA-N 1 1 340.387 0.292 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3ccncc13)C[C@@H](C)O2 ZINC001071175697 784665603 /nfs/dbraw/zinc/66/56/03/784665603.db2.gz IZPVVVFEYSZODT-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3ccncc13)C[C@@H](C)O2 ZINC001071175697 784665608 /nfs/dbraw/zinc/66/56/08/784665608.db2.gz IZPVVVFEYSZODT-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnccc1OC)C[C@H](C)O2 ZINC001071180299 784677452 /nfs/dbraw/zinc/67/74/52/784677452.db2.gz JYPMDMGBXDFTBH-KXBFYZLASA-N 1 1 343.427 0.958 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCNC1=O)C[C@@H](C)O2 ZINC001071183286 784682271 /nfs/dbraw/zinc/68/22/71/784682271.db2.gz LWQLMEJXJNHAMZ-QAPCUYQASA-N 1 1 348.447 0.117 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@@H](C)O2 ZINC001071183492 784683487 /nfs/dbraw/zinc/68/34/87/784683487.db2.gz OZEZXISEKJJAAY-APWZRJJASA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@@H](C)O2 ZINC001071189000 784693016 /nfs/dbraw/zinc/69/30/16/784693016.db2.gz DOSDKWPKKLIIGG-FZKQIMNGSA-N 1 1 345.399 0.707 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@@H](C)O2 ZINC001071188841 784693088 /nfs/dbraw/zinc/69/30/88/784693088.db2.gz BTIVWFCPHIAJSE-SJKOYZFVSA-N 1 1 333.388 0.870 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@@H](C)O2 ZINC001071188999 784693260 /nfs/dbraw/zinc/69/32/60/784693260.db2.gz DOSDKWPKKLIIGG-ACJLOTCBSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@@H](C)O2 ZINC001071190112 784696546 /nfs/dbraw/zinc/69/65/46/784696546.db2.gz UIXHNMPADNEFGJ-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccnc1)C[C@H](C)O2 ZINC001071195146 784712392 /nfs/dbraw/zinc/71/23/92/784712392.db2.gz SIZBPUNBGJQWMH-FUHWJXTLSA-N 1 1 330.432 0.988 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@@H](C)O2 ZINC001071201415 784723487 /nfs/dbraw/zinc/72/34/87/784723487.db2.gz DSJPGOLIGWYCLB-CXAGYDPISA-N 1 1 330.388 0.099 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@H](C)O2 ZINC001071201222 784723777 /nfs/dbraw/zinc/72/37/77/784723777.db2.gz AKJVSWWWOSFPID-YVEFUNNKSA-N 1 1 330.388 0.429 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccoc1CC(N)=O)C[C@@H](C)O2 ZINC001071203759 784728172 /nfs/dbraw/zinc/72/81/72/784728172.db2.gz HJWRXAVXZNMHGI-FZKQIMNGSA-N 1 1 345.399 0.246 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccoc1CC(N)=O)C[C@@H](C)O2 ZINC001071203759 784728177 /nfs/dbraw/zinc/72/81/77/784728177.db2.gz HJWRXAVXZNMHGI-FZKQIMNGSA-N 1 1 345.399 0.246 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@@H](C)O2 ZINC001071203991 784729619 /nfs/dbraw/zinc/72/96/19/784729619.db2.gz LDMSPQWVQRJPHG-RHSMWYFYSA-N 1 1 334.420 0.677 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@H](C)O2 ZINC001071211077 784744386 /nfs/dbraw/zinc/74/43/86/784744386.db2.gz BGJVQMAPGRAVNM-KSSFIOAISA-N 1 1 329.400 0.324 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@H](C)O2 ZINC001071212465 784748718 /nfs/dbraw/zinc/74/87/18/784748718.db2.gz XXPGAHAWUWABJY-HNAYVOBHSA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn[nH]n1)C[C@@H](C)O2 ZINC001071212416 784749326 /nfs/dbraw/zinc/74/93/26/784749326.db2.gz XHHXNTHOYCHIPJ-RHSMWYFYSA-N 1 1 331.420 0.452 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@@H](C)O2 ZINC001071212416 784749332 /nfs/dbraw/zinc/74/93/32/784749332.db2.gz XHHXNTHOYCHIPJ-RHSMWYFYSA-N 1 1 331.420 0.452 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@@H](C)O2 ZINC001071212416 784749337 /nfs/dbraw/zinc/74/93/37/784749337.db2.gz XHHXNTHOYCHIPJ-RHSMWYFYSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nccn3ccnc13)C[C@H](C)O2 ZINC001071213407 784750217 /nfs/dbraw/zinc/75/02/17/784750217.db2.gz DWUDAGBLEAYVBN-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nccn3ccnc13)C[C@H](C)O2 ZINC001071213407 784750224 /nfs/dbraw/zinc/75/02/24/784750224.db2.gz DWUDAGBLEAYVBN-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nccn3ccnc13)C[C@@H](C)O2 ZINC001071213406 784750335 /nfs/dbraw/zinc/75/03/35/784750335.db2.gz DWUDAGBLEAYVBN-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nccn3ccnc13)C[C@@H](C)O2 ZINC001071213406 784750341 /nfs/dbraw/zinc/75/03/41/784750341.db2.gz DWUDAGBLEAYVBN-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC=C)nn1)C[C@H](C)O2 ZINC001071215945 784755416 /nfs/dbraw/zinc/75/54/16/784755416.db2.gz JMHICLHZBQGXSM-YJBOKZPZSA-N 1 1 343.431 0.793 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C[C@H](C)O2 ZINC001071218164 784761059 /nfs/dbraw/zinc/76/10/59/784761059.db2.gz JYLIEPHYTSVERE-UGSOOPFHSA-N 1 1 349.431 0.307 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@H](C)O2 ZINC001071218352 784762241 /nfs/dbraw/zinc/76/22/41/784762241.db2.gz MKKDOARBXVFHOX-PKOBYXMFSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COc1cccnc1)C[C@H](C)O2 ZINC001071218450 784762721 /nfs/dbraw/zinc/76/27/21/784762721.db2.gz NPGAFYCUAKBNMR-MAUKXSAKSA-N 1 1 329.400 0.785 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@H](C)O2 ZINC001071227185 784785298 /nfs/dbraw/zinc/78/52/98/784785298.db2.gz ANEHONXHDJKSTA-SUMWQHHRSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nonc1C)C[C@H](C)O2 ZINC001071227457 784787154 /nfs/dbraw/zinc/78/71/54/784787154.db2.gz FYCTZNBFMWOIOB-SUMWQHHRSA-N 1 1 332.404 0.636 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@@H](C)O2 ZINC001071230762 784794022 /nfs/dbraw/zinc/79/40/22/784794022.db2.gz KOLPSHREBHTIBI-DYVFJYSZSA-N 1 1 332.404 0.977 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001070889981 784796343 /nfs/dbraw/zinc/79/63/43/784796343.db2.gz PGSHDCUSBBHCSL-RDTXWAMCSA-N 1 1 337.464 0.905 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]cnc1C)C[C@@H](C)O2 ZINC001071234309 784800293 /nfs/dbraw/zinc/80/02/93/784800293.db2.gz WZNROJCWSYWMHM-KDOFPFPSSA-N 1 1 330.432 0.976 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@@H](C)O2 ZINC001071241622 784817265 /nfs/dbraw/zinc/81/72/65/784817265.db2.gz YBXHLKYRVHVOOQ-FZKQIMNGSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cc(C)cn1)C[C@H](C)O2 ZINC001071244031 784822814 /nfs/dbraw/zinc/82/28/14/784822814.db2.gz ONELCDANCFKXLZ-FUHWJXTLSA-N 1 1 330.432 0.907 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@@H](C)O2 ZINC001071244067 784822839 /nfs/dbraw/zinc/82/28/39/784822839.db2.gz OZRJZAVSRBSPRK-KDOFPFPSSA-N 1 1 348.447 0.605 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@@H](C)O2 ZINC001071248891 784833604 /nfs/dbraw/zinc/83/36/04/784833604.db2.gz VGDAIOSQQNUHRB-RHSMWYFYSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cnccn3)C2)C(=O)C1 ZINC001071252921 784841806 /nfs/dbraw/zinc/84/18/06/784841806.db2.gz BGSBRDPQCIVCIS-OAHLLOKOSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cnccn3)C2)C(=O)C1 ZINC001071252921 784841814 /nfs/dbraw/zinc/84/18/14/784841814.db2.gz BGSBRDPQCIVCIS-OAHLLOKOSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)C(=O)C1 ZINC001071255712 784852493 /nfs/dbraw/zinc/85/24/93/784852493.db2.gz UVUAAMNOJWELJQ-CQSZACIVSA-N 1 1 331.420 0.735 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)C(=O)C1 ZINC001071255712 784852500 /nfs/dbraw/zinc/85/25/00/784852500.db2.gz UVUAAMNOJWELJQ-CQSZACIVSA-N 1 1 331.420 0.735 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)CC(C)(C)O)C2)C(=O)C1 ZINC001071263740 784880207 /nfs/dbraw/zinc/88/02/07/784880207.db2.gz DRNVZNYRLYFMFI-OAHLLOKOSA-N 1 1 337.464 0.859 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)CC(C)(C)O)C2)C(=O)C1 ZINC001071263740 784880213 /nfs/dbraw/zinc/88/02/13/784880213.db2.gz DRNVZNYRLYFMFI-OAHLLOKOSA-N 1 1 337.464 0.859 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)Cc3cnoc3)C2)C(=O)C1 ZINC001071270955 784902970 /nfs/dbraw/zinc/90/29/70/784902970.db2.gz QUNSZKAZGDBJHI-INIZCTEOSA-N 1 1 346.431 0.928 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)Cc3cnoc3)C2)C(=O)C1 ZINC001071270955 784902975 /nfs/dbraw/zinc/90/29/75/784902975.db2.gz QUNSZKAZGDBJHI-INIZCTEOSA-N 1 1 346.431 0.928 20 30 ECEDMO C=C(C)CN1CCN([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277557 784925117 /nfs/dbraw/zinc/92/51/17/784925117.db2.gz YKVHLVVBLKMZTM-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071340907 784979791 /nfs/dbraw/zinc/97/97/91/784979791.db2.gz VQRWKZZAQNROGA-RDJZCZTQSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CC#Cc1ccccc1 ZINC001071340907 784979795 /nfs/dbraw/zinc/97/97/95/784979795.db2.gz VQRWKZZAQNROGA-RDJZCZTQSA-N 1 1 338.415 0.694 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)CC[C@H]1C ZINC001071530846 785252953 /nfs/dbraw/zinc/25/29/53/785252953.db2.gz BMBCZLWDWSXVQZ-ZIAGYGMSSA-N 1 1 332.452 0.963 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCn3cncn3)C2)nn1 ZINC001071883163 785269211 /nfs/dbraw/zinc/26/92/11/785269211.db2.gz HBRHHPKCRSJUBM-KBPBESRZSA-N 1 1 344.423 0.339 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC[C@@H]1C ZINC001071930274 785353655 /nfs/dbraw/zinc/35/36/55/785353655.db2.gz CIHFMYHQGSJPAB-GOEBONIOSA-N 1 1 330.432 0.853 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC[C@H]1C ZINC001071930278 785354748 /nfs/dbraw/zinc/35/47/48/785354748.db2.gz CIHFMYHQGSJPAB-ZBFHGGJFSA-N 1 1 330.432 0.853 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC[C@H]1C ZINC001071610284 785392194 /nfs/dbraw/zinc/39/21/94/785392194.db2.gz RPWHDHZBHBCABV-HIFRSBDPSA-N 1 1 328.416 0.715 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@H]1C ZINC001071645691 785440503 /nfs/dbraw/zinc/44/05/03/785440503.db2.gz LQBPCMZPCHVNEM-GHMZBOCLSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@H]1C ZINC001071645691 785440507 /nfs/dbraw/zinc/44/05/07/785440507.db2.gz LQBPCMZPCHVNEM-GHMZBOCLSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1C ZINC001071645693 785442061 /nfs/dbraw/zinc/44/20/61/785442061.db2.gz LQBPCMZPCHVNEM-QWRGUYRKSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1C ZINC001071645693 785442067 /nfs/dbraw/zinc/44/20/67/785442067.db2.gz LQBPCMZPCHVNEM-QWRGUYRKSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@H]1C ZINC001071689882 785529225 /nfs/dbraw/zinc/52/92/25/785529225.db2.gz QTDFHADSBYWZNS-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001072098427 785666224 /nfs/dbraw/zinc/66/62/24/785666224.db2.gz YVYYKYRHUNHOQK-ZFWWWQNUSA-N 1 1 332.404 0.195 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001072338458 786043759 /nfs/dbraw/zinc/04/37/59/786043759.db2.gz DNYWBARQKCHUBV-DZGCQCFKSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)C4CCOCC4)C3)C2)C1=O ZINC001072388797 786120738 /nfs/dbraw/zinc/12/07/38/786120738.db2.gz AWZRDNLOKSLJIX-MRXNPFEDSA-N 1 1 347.459 0.734 20 30 ECEDMO C=CCCOCC(=O)N[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001072401298 786138024 /nfs/dbraw/zinc/13/80/24/786138024.db2.gz LBJCHUOSTAQWBC-HIFRSBDPSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)Cn4cccn4)C3)C2)C1=O ZINC001072469153 786227686 /nfs/dbraw/zinc/22/76/86/786227686.db2.gz MISBADDDEMHJMP-OAHLLOKOSA-N 1 1 343.431 0.204 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ccon4)C3)C2)C1=O ZINC001072512868 786307418 /nfs/dbraw/zinc/30/74/18/786307418.db2.gz LTRJWPJBMBZMQY-CQSZACIVSA-N 1 1 330.388 0.609 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CCCOC4)C3)C2)C1=O ZINC001072539598 786342666 /nfs/dbraw/zinc/34/26/66/786342666.db2.gz XGUITKILFMHMOS-HZPDHXFCSA-N 1 1 347.459 0.734 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCCS(=O)(=O)C1)C2 ZINC001072553422 786359216 /nfs/dbraw/zinc/35/92/16/786359216.db2.gz ZGRSSDLVJCUFQH-UONOGXRCSA-N 1 1 339.461 0.505 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(C(N)=O)cc1)C2 ZINC001072559177 786367074 /nfs/dbraw/zinc/36/70/74/786367074.db2.gz RAYXXNUJNUYJSO-ZDUSSCGKSA-N 1 1 326.400 0.979 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)c3ccon3)C2)C1=O ZINC001073541767 786523898 /nfs/dbraw/zinc/52/38/98/786523898.db2.gz XLYKBPCGAAYWIA-HIFRSBDPSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)c3ccon3)C2)C1=O ZINC001073541767 786523902 /nfs/dbraw/zinc/52/39/02/786523902.db2.gz XLYKBPCGAAYWIA-HIFRSBDPSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001073544878 786535741 /nfs/dbraw/zinc/53/57/41/786535741.db2.gz ILZZEGXASQZYFV-GJZGRUSLSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001073544878 786535746 /nfs/dbraw/zinc/53/57/46/786535746.db2.gz ILZZEGXASQZYFV-GJZGRUSLSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@H]21 ZINC001074293870 786612994 /nfs/dbraw/zinc/61/29/94/786612994.db2.gz FDLGBJGAUVGJSC-HUUCEWRRSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@H]21 ZINC001074293870 786613001 /nfs/dbraw/zinc/61/30/01/786613001.db2.gz FDLGBJGAUVGJSC-HUUCEWRRSA-N 1 1 334.420 0.920 20 30 ECEDMO C#CCCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001073564609 786619730 /nfs/dbraw/zinc/61/97/30/786619730.db2.gz FMGWQUWMTROTIR-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCN1CCO[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001074297329 786623498 /nfs/dbraw/zinc/62/34/98/786623498.db2.gz MNOKKJPRVVTUHV-ZWKOTPCHSA-N 1 1 342.443 0.697 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 ZINC001074302150 786632828 /nfs/dbraw/zinc/63/28/28/786632828.db2.gz MAJPZELJRGCRRV-CABCVRRESA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 ZINC001074302150 786632838 /nfs/dbraw/zinc/63/28/38/786632838.db2.gz MAJPZELJRGCRRV-CABCVRRESA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@H]21 ZINC001074353009 786736419 /nfs/dbraw/zinc/73/64/19/786736419.db2.gz ARPGQAISBRROJS-CVEARBPZSA-N 1 1 331.420 0.956 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@H]21 ZINC001074353009 786736423 /nfs/dbraw/zinc/73/64/23/786736423.db2.gz ARPGQAISBRROJS-CVEARBPZSA-N 1 1 331.420 0.956 20 30 ECEDMO C=C(C)CN1CCO[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001074360272 786751935 /nfs/dbraw/zinc/75/19/35/786751935.db2.gz MPQMPVMVLJBCJU-SJORKVTESA-N 1 1 337.464 0.587 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001073604081 786755363 /nfs/dbraw/zinc/75/53/63/786755363.db2.gz WHPVZNUSPSYVAR-INIZCTEOSA-N 1 1 346.431 0.689 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001073604081 786755370 /nfs/dbraw/zinc/75/53/70/786755370.db2.gz WHPVZNUSPSYVAR-INIZCTEOSA-N 1 1 346.431 0.689 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001073615017 786773934 /nfs/dbraw/zinc/77/39/34/786773934.db2.gz FDFVKMSRWLREGL-CYBMUJFWSA-N 1 1 330.392 0.521 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOC)[C@H]3C2)nc1 ZINC001074385623 786821738 /nfs/dbraw/zinc/82/17/38/786821738.db2.gz VGOAUVSRGAZBPD-IRXDYDNUSA-N 1 1 329.400 0.625 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CCOC)[C@H]3C2)nc1 ZINC001074385623 786821747 /nfs/dbraw/zinc/82/17/47/786821747.db2.gz VGOAUVSRGAZBPD-IRXDYDNUSA-N 1 1 329.400 0.625 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC)CCCO1 ZINC001073637301 786837879 /nfs/dbraw/zinc/83/78/79/786837879.db2.gz VPOBPWHZVYHSRD-HUUCEWRRSA-N 1 1 348.447 0.629 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)CCCO1 ZINC001073637301 786837892 /nfs/dbraw/zinc/83/78/92/786837892.db2.gz VPOBPWHZVYHSRD-HUUCEWRRSA-N 1 1 348.447 0.629 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 ZINC001074399544 786855616 /nfs/dbraw/zinc/85/56/16/786855616.db2.gz GOWLTESSSSMEIB-JKSUJKDBSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 ZINC001074399544 786855629 /nfs/dbraw/zinc/85/56/29/786855629.db2.gz GOWLTESSSSMEIB-JKSUJKDBSA-N 1 1 346.431 0.662 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074404405 786873763 /nfs/dbraw/zinc/87/37/63/786873763.db2.gz BLWPICOLJISSPZ-CABCVRRESA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074404405 786873774 /nfs/dbraw/zinc/87/37/74/786873774.db2.gz BLWPICOLJISSPZ-CABCVRRESA-N 1 1 332.404 0.605 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001073652234 786877634 /nfs/dbraw/zinc/87/76/34/786877634.db2.gz TYXZJMZTYIPWDG-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001073652234 786877642 /nfs/dbraw/zinc/87/76/42/786877642.db2.gz TYXZJMZTYIPWDG-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3ccccn3c2=O)C1 ZINC001073661140 786905611 /nfs/dbraw/zinc/90/56/11/786905611.db2.gz WTNZOZRMWHAGPO-AWEZNQCLSA-N 1 1 340.383 0.148 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3ccccn3c2=O)C1 ZINC001073661140 786905618 /nfs/dbraw/zinc/90/56/18/786905618.db2.gz WTNZOZRMWHAGPO-AWEZNQCLSA-N 1 1 340.383 0.148 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 ZINC001074419719 786929462 /nfs/dbraw/zinc/92/94/62/786929462.db2.gz QAAYTCDLPXSAGS-HZPDHXFCSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 ZINC001074419719 786929466 /nfs/dbraw/zinc/92/94/66/786929466.db2.gz QAAYTCDLPXSAGS-HZPDHXFCSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2sccc2-n2cnnn2)C1 ZINC001073674873 786942936 /nfs/dbraw/zinc/94/29/36/786942936.db2.gz QMJCVHVDJPKZJR-GFCCVEGCSA-N 1 1 348.432 0.731 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001073679054 786952879 /nfs/dbraw/zinc/95/28/79/786952879.db2.gz HWSXYYVEIHGUTL-HNNXBMFYSA-N 1 1 347.415 0.943 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001073681177 786957746 /nfs/dbraw/zinc/95/77/46/786957746.db2.gz FOZKLOSYKOMHHH-AWEZNQCLSA-N 1 1 334.420 0.521 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001073687511 786971869 /nfs/dbraw/zinc/97/18/69/786971869.db2.gz UAIRMXRELIPULY-CABCVRRESA-N 1 1 338.452 0.560 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001073697610 786994385 /nfs/dbraw/zinc/99/43/85/786994385.db2.gz NZPURGVUEWOLPH-CYBMUJFWSA-N 1 1 333.388 0.228 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001073697610 786994391 /nfs/dbraw/zinc/99/43/91/786994391.db2.gz NZPURGVUEWOLPH-CYBMUJFWSA-N 1 1 333.388 0.228 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001073712528 787026132 /nfs/dbraw/zinc/02/61/32/787026132.db2.gz FDHARMZQTOFXNT-KGLIPLIRSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3cnco3)C2)C1=O ZINC001073716326 787040394 /nfs/dbraw/zinc/04/03/94/787040394.db2.gz AAHSNZHWWUEPDN-KBPBESRZSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)c3cnco3)C2)C1=O ZINC001073716326 787040406 /nfs/dbraw/zinc/04/04/06/787040406.db2.gz AAHSNZHWWUEPDN-KBPBESRZSA-N 1 1 348.403 0.282 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001073726692 787068614 /nfs/dbraw/zinc/06/86/14/787068614.db2.gz PGYLJXZXCGTGHE-AWEZNQCLSA-N 1 1 332.404 0.643 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001073739315 787089048 /nfs/dbraw/zinc/08/90/48/787089048.db2.gz PTNDVRFBHZNODJ-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001073739315 787089058 /nfs/dbraw/zinc/08/90/58/787089058.db2.gz PTNDVRFBHZNODJ-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001073745565 787109850 /nfs/dbraw/zinc/10/98/50/787109850.db2.gz BDHZWORJNBOLEC-GJZGRUSLSA-N 1 1 347.463 0.703 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)c1 ZINC001073762706 787150555 /nfs/dbraw/zinc/15/05/55/787150555.db2.gz KQVAEDXAWLJRKB-SJLPKXTDSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+]([C@@H](C)COC)CCCO2)c1 ZINC001073762915 787152477 /nfs/dbraw/zinc/15/24/77/787152477.db2.gz PXBFGIYBPYIXNE-YOEHRIQHSA-N 1 1 331.416 0.919 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001073764628 787157506 /nfs/dbraw/zinc/15/75/06/787157506.db2.gz IXQCICWISFQTCX-RDJZCZTQSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001073764628 787157509 /nfs/dbraw/zinc/15/75/09/787157509.db2.gz IXQCICWISFQTCX-RDJZCZTQSA-N 1 1 330.432 0.594 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCn2cncn2)CCCO1 ZINC001073775581 787183186 /nfs/dbraw/zinc/18/31/86/787183186.db2.gz XKDRMCCOUCSQNX-XHSDSOJGSA-N 1 1 349.435 0.076 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001073794977 787215374 /nfs/dbraw/zinc/21/53/74/787215374.db2.gz XGNWXUZHVTYMRE-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3cc(C)cnc23)C1 ZINC001073795634 787216812 /nfs/dbraw/zinc/21/68/12/787216812.db2.gz CYNGJMBDAWDOFP-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3cc(C)cnc23)C1 ZINC001073795634 787216820 /nfs/dbraw/zinc/21/68/20/787216820.db2.gz CYNGJMBDAWDOFP-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001073810219 787241751 /nfs/dbraw/zinc/24/17/51/787241751.db2.gz MKKORZJZMSWNJH-ULQDDVLXSA-N 1 1 340.464 0.947 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001073815511 787250855 /nfs/dbraw/zinc/25/08/55/787250855.db2.gz CRGIZCLMLATEIC-AWEZNQCLSA-N 1 1 342.403 0.669 20 30 ECEDMO N#CCN1CCCO[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001073835222 787313240 /nfs/dbraw/zinc/31/32/40/787313240.db2.gz XGBDPKIWBKQMRU-MRXNPFEDSA-N 1 1 340.387 0.612 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 ZINC001073837619 787317463 /nfs/dbraw/zinc/31/74/63/787317463.db2.gz RAFQODZTADGENX-HNNXBMFYSA-N 1 1 331.420 0.532 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 ZINC001073837619 787317474 /nfs/dbraw/zinc/31/74/74/787317474.db2.gz RAFQODZTADGENX-HNNXBMFYSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001073837829 787319509 /nfs/dbraw/zinc/31/95/09/787319509.db2.gz VJECXALFCDTOLD-KBPBESRZSA-N 1 1 330.432 0.988 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001073837829 787319521 /nfs/dbraw/zinc/31/95/21/787319521.db2.gz VJECXALFCDTOLD-KBPBESRZSA-N 1 1 330.432 0.988 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001073848198 787348204 /nfs/dbraw/zinc/34/82/04/787348204.db2.gz SCSBTLGKTQHZNR-LSDHHAIUSA-N 1 1 349.435 0.636 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001073851064 787361449 /nfs/dbraw/zinc/36/14/49/787361449.db2.gz SGMMEFZZARWESH-OAHLLOKOSA-N 1 1 345.403 0.926 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c3c(nn2C)CCC3)C1 ZINC001073853917 787368207 /nfs/dbraw/zinc/36/82/07/787368207.db2.gz RVKQKJVAJJEYCD-AWEZNQCLSA-N 1 1 330.432 0.753 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3ccc(C)nc23)C1 ZINC001073862115 787389965 /nfs/dbraw/zinc/38/99/65/787389965.db2.gz MQAYSBZVBPICLS-AWEZNQCLSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3ccc(C)nc23)C1 ZINC001073862115 787389975 /nfs/dbraw/zinc/38/99/75/787389975.db2.gz MQAYSBZVBPICLS-AWEZNQCLSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3ccc(C)nc23)C1 ZINC001073862701 787391586 /nfs/dbraw/zinc/39/15/86/787391586.db2.gz WTZBENNSRALKKE-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@@H](C)COC)CCCO2)cn1 ZINC001073865949 787400946 /nfs/dbraw/zinc/40/09/46/787400946.db2.gz QFAZSCXIYXKUQL-YOEHRIQHSA-N 1 1 331.416 0.919 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001073873748 787416067 /nfs/dbraw/zinc/41/60/67/787416067.db2.gz ISQMSQNBNFDJIH-INIZCTEOSA-N 1 1 336.436 0.926 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001073874379 787417686 /nfs/dbraw/zinc/41/76/86/787417686.db2.gz ZWRPBLRLQRHMQX-CQSZACIVSA-N 1 1 344.415 0.285 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001073874379 787417692 /nfs/dbraw/zinc/41/76/92/787417692.db2.gz ZWRPBLRLQRHMQX-CQSZACIVSA-N 1 1 344.415 0.285 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001073901810 787483109 /nfs/dbraw/zinc/48/31/09/787483109.db2.gz GKXIMDJIGWNAAV-CABCVRRESA-N 1 1 331.420 0.071 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001073908358 787496391 /nfs/dbraw/zinc/49/63/91/787496391.db2.gz JHACSTSQWOABOM-HNNXBMFYSA-N 1 1 342.403 0.669 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3nnn(C)c32)C1 ZINC001073914135 787517316 /nfs/dbraw/zinc/51/73/16/787517316.db2.gz KARIEUNKQDIBQB-CQSZACIVSA-N 1 1 341.415 0.812 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001073914873 787520158 /nfs/dbraw/zinc/52/01/58/787520158.db2.gz HAFOOLJVKDLDSN-AWEZNQCLSA-N 1 1 332.404 0.577 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCC(O)(CNC(=O)C#CC(C)C)CC1 ZINC001074728460 787710221 /nfs/dbraw/zinc/71/02/21/787710221.db2.gz LIWNYGWNVQUXOU-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001074731670 787724653 /nfs/dbraw/zinc/72/46/53/787724653.db2.gz ZAUIZWMYZZUURR-LSDHHAIUSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4ccn(C)c4)C3)C2)C1=O ZINC001072618611 788443590 /nfs/dbraw/zinc/44/35/90/788443590.db2.gz RIEFDAHQSYOZKY-INIZCTEOSA-N 1 1 342.443 0.960 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4COC(=O)N4)C3)C2)c1 ZINC001072686199 788589945 /nfs/dbraw/zinc/58/99/45/788589945.db2.gz FRGUBPLSEYCWNU-HNNXBMFYSA-N 1 1 340.383 0.701 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSCC#N)C1 ZINC001072737299 788673654 /nfs/dbraw/zinc/67/36/54/788673654.db2.gz RAOZKITXKGGAAS-OLZOCXBDSA-N 1 1 326.466 0.548 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001072737370 788674222 /nfs/dbraw/zinc/67/42/22/788674222.db2.gz RWMUHDJXNPTTJG-DOMZBBRYSA-N 1 1 331.420 0.805 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cc(-c4ccn(C)n4)on3)C2)C1 ZINC001072779538 788777334 /nfs/dbraw/zinc/77/73/34/788777334.db2.gz UDSOBJMCXZIVIL-UHFFFAOYSA-N 1 1 325.372 0.856 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001075070521 788849017 /nfs/dbraw/zinc/84/90/17/788849017.db2.gz YVGBEQYNZDUHPR-HOCLYGCPSA-N 1 1 346.431 0.727 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C2)C1 ZINC001072896811 789060162 /nfs/dbraw/zinc/06/01/62/789060162.db2.gz HXNQVZNGBFYAQA-UHFFFAOYSA-N 1 1 340.383 0.584 20 30 ECEDMO C=CCOCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001072922679 789120794 /nfs/dbraw/zinc/12/07/94/789120794.db2.gz XCTNLTQRUVXQOI-AWEZNQCLSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCOCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001072922679 789120795 /nfs/dbraw/zinc/12/07/95/789120795.db2.gz XCTNLTQRUVXQOI-AWEZNQCLSA-N 1 1 339.436 0.017 20 30 ECEDMO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075260733 789128892 /nfs/dbraw/zinc/12/88/92/789128892.db2.gz HJNBMCDLCSDGHR-RYUDHWBXSA-N 1 1 342.407 0.298 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H]4OCC[C@H]4C)C3)C2)C1=O ZINC001072993735 789243699 /nfs/dbraw/zinc/24/36/99/789243699.db2.gz PIXFMOGEGIZVHT-OAGGEKHMSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073027473 789300905 /nfs/dbraw/zinc/30/09/05/789300905.db2.gz JXKMTBUUGNKYEL-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)C3(n4cnnn4)CCOCC3)C2)C1 ZINC001073050322 789348292 /nfs/dbraw/zinc/34/82/92/789348292.db2.gz UHGWLVJNJFHIMV-UHFFFAOYSA-N 1 1 346.435 0.289 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001073050873 789349180 /nfs/dbraw/zinc/34/91/80/789349180.db2.gz CICMXVXODZOFTA-JYJNAYRXSA-N 1 1 347.459 0.781 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001073053685 789352771 /nfs/dbraw/zinc/35/27/71/789352771.db2.gz RJKPTAUQNIEZDU-CYBMUJFWSA-N 1 1 327.450 0.131 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001073124880 789482110 /nfs/dbraw/zinc/48/21/10/789482110.db2.gz FONQAXRWHCHQMI-MGPQQGTHSA-N 1 1 336.436 0.362 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001073124880 789482118 /nfs/dbraw/zinc/48/21/18/789482118.db2.gz FONQAXRWHCHQMI-MGPQQGTHSA-N 1 1 336.436 0.362 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)C#CC3CC3)CC2)O1 ZINC001073125262 789482242 /nfs/dbraw/zinc/48/22/42/789482242.db2.gz QEUYRKDUIVUANR-GDBMZVCRSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)C#CC3CC3)CC2)O1 ZINC001073125262 789482245 /nfs/dbraw/zinc/48/22/45/789482245.db2.gz QEUYRKDUIVUANR-GDBMZVCRSA-N 1 1 347.459 0.616 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CCn2cncn2)C3)nc1 ZINC001073137793 789510586 /nfs/dbraw/zinc/51/05/86/789510586.db2.gz LNOAYFIBDKOLDE-UHFFFAOYSA-N 1 1 336.399 0.503 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(=O)N(C)C)C3)nc1 ZINC001073137856 789510694 /nfs/dbraw/zinc/51/06/94/789510694.db2.gz OPSMLOKHCOYVTG-AWEZNQCLSA-N 1 1 340.427 0.688 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001073158416 789549537 /nfs/dbraw/zinc/54/95/37/789549537.db2.gz WHINNKGWYPVTCW-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001075658561 789624563 /nfs/dbraw/zinc/62/45/63/789624563.db2.gz IHMVJCIOCZIJRV-DETPVDSQSA-N 1 1 341.415 0.700 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001075658561 789624568 /nfs/dbraw/zinc/62/45/68/789624568.db2.gz IHMVJCIOCZIJRV-DETPVDSQSA-N 1 1 341.415 0.700 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001073346824 789748631 /nfs/dbraw/zinc/74/86/31/789748631.db2.gz DKJWOQKKHZGXTN-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(Cl)CN1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073447437 789853573 /nfs/dbraw/zinc/85/35/73/789853573.db2.gz SJJSCGKQAXOXID-AWEZNQCLSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)CN1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073447437 789853579 /nfs/dbraw/zinc/85/35/79/789853579.db2.gz SJJSCGKQAXOXID-AWEZNQCLSA-N 1 1 327.856 0.994 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001073476085 789878732 /nfs/dbraw/zinc/87/87/32/789878732.db2.gz SGAXOGRBJLBGSM-UHFFFAOYSA-N 1 1 325.412 0.886 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC(Nc2ccc(C#N)nc2)C1 ZINC001069719888 789987676 /nfs/dbraw/zinc/98/76/76/789987676.db2.gz XVDQVEKTDHVVEB-GPANFISMSA-N 1 1 329.404 0.685 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC(Nc2ccc(C#N)nc2)C1 ZINC001069719888 789987682 /nfs/dbraw/zinc/98/76/82/789987682.db2.gz XVDQVEKTDHVVEB-GPANFISMSA-N 1 1 329.404 0.685 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCc1cccc(N2CC[C@H](NCC#N)C2)n1 ZINC001069838403 790071071 /nfs/dbraw/zinc/07/10/71/790071071.db2.gz WFNLKYYUKOAHRT-HOTGVXAUSA-N 1 1 342.447 0.484 20 30 ECEDMO C=CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)c3ncn[nH]3)n2)C1 ZINC001069839540 790072615 /nfs/dbraw/zinc/07/26/15/790072615.db2.gz CFDAFFJVGXXPPO-ZDUSSCGKSA-N 1 1 327.392 0.484 20 30 ECEDMO C=CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)c3nc[nH]n3)n2)C1 ZINC001069839540 790072621 /nfs/dbraw/zinc/07/26/21/790072621.db2.gz CFDAFFJVGXXPPO-ZDUSSCGKSA-N 1 1 327.392 0.484 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)c3cnn(C)c3N)c2C1 ZINC001069858783 790109428 /nfs/dbraw/zinc/10/94/28/790109428.db2.gz NFAGVOWIDSPSOH-UHFFFAOYSA-N 1 1 343.435 0.911 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)c3cnn(C)c3N)c2C1 ZINC001069858783 790109431 /nfs/dbraw/zinc/10/94/31/790109431.db2.gz NFAGVOWIDSPSOH-UHFFFAOYSA-N 1 1 343.435 0.911 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069932142 790205296 /nfs/dbraw/zinc/20/52/96/790205296.db2.gz SDJAKLUYFXWYHQ-HZMVEIRTSA-N 1 1 346.479 0.926 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069932142 790205298 /nfs/dbraw/zinc/20/52/98/790205298.db2.gz SDJAKLUYFXWYHQ-HZMVEIRTSA-N 1 1 346.479 0.926 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069943530 790220737 /nfs/dbraw/zinc/22/07/37/790220737.db2.gz YKUHDYLTJLVUFL-ZBFHGGJFSA-N 1 1 341.419 0.652 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069943530 790220743 /nfs/dbraw/zinc/22/07/43/790220743.db2.gz YKUHDYLTJLVUFL-ZBFHGGJFSA-N 1 1 341.419 0.652 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001069945345 790223030 /nfs/dbraw/zinc/22/30/30/790223030.db2.gz JUSOKCYYDQDEBP-OAGGEKHMSA-N 1 1 345.451 0.406 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001069955611 790237572 /nfs/dbraw/zinc/23/75/72/790237572.db2.gz DNCALGURBOJEMV-KGLIPLIRSA-N 1 1 343.391 0.395 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCn3nccc32)[C@@H](n2ccnn2)C1 ZINC001069964128 790249015 /nfs/dbraw/zinc/24/90/15/790249015.db2.gz WPVORYJPNIOPED-LZWOXQAQSA-N 1 1 341.419 0.580 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCn3nccc32)[C@@H](n2ccnn2)C1 ZINC001069964128 790249020 /nfs/dbraw/zinc/24/90/20/790249020.db2.gz WPVORYJPNIOPED-LZWOXQAQSA-N 1 1 341.419 0.580 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001069965749 790252613 /nfs/dbraw/zinc/25/26/13/790252613.db2.gz DDONXBHKHZRDOY-KFWWJZLASA-N 1 1 346.435 0.112 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2CCC(C(N)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001069965936 790252947 /nfs/dbraw/zinc/25/29/47/790252947.db2.gz NJSRYIBPDTXMDR-CVSAEHQPSA-N 1 1 346.435 0.097 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2CCC(C(N)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001069965936 790252951 /nfs/dbraw/zinc/25/29/51/790252951.db2.gz NJSRYIBPDTXMDR-CVSAEHQPSA-N 1 1 346.435 0.097 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC(C)C)CO2 ZINC001068859508 791281377 /nfs/dbraw/zinc/28/13/77/791281377.db2.gz SIEQQCCTKPQEJJ-HNNXBMFYSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068891268 791352923 /nfs/dbraw/zinc/35/29/23/791352923.db2.gz KEYJGFDXRYBKPS-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@H+](C)C(C)C)CO2 ZINC001068899458 791369968 /nfs/dbraw/zinc/36/99/68/791369968.db2.gz NMHRFCFEVWNZPV-HNNXBMFYSA-N 1 1 335.448 0.616 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068911385 791401040 /nfs/dbraw/zinc/40/10/40/791401040.db2.gz AITCRBAHXPABKD-HNNXBMFYSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001068916583 791413611 /nfs/dbraw/zinc/41/36/11/791413611.db2.gz NNXKMBLECSVUCD-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)[C@@H]1C ZINC001068919665 791421213 /nfs/dbraw/zinc/42/12/13/791421213.db2.gz DHAMDSLGHLKOPJ-QWHCGFSZSA-N 1 1 325.376 0.377 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068924044 791429952 /nfs/dbraw/zinc/42/99/52/791429952.db2.gz CLCGZFJUOGSCBW-HNNXBMFYSA-N 1 1 344.415 0.337 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)[C@H]1C ZINC001068925926 791437620 /nfs/dbraw/zinc/43/76/20/791437620.db2.gz HOXNCWUDQBBBJH-OCCSQVGLSA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@@H]1COC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001069007287 791582757 /nfs/dbraw/zinc/58/27/57/791582757.db2.gz DGZZWPCQNXOXKP-KGLIPLIRSA-N 1 1 348.447 0.364 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001069039576 791634962 /nfs/dbraw/zinc/63/49/62/791634962.db2.gz PDSGXPLLDXNMPL-OAHLLOKOSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001069040640 791637570 /nfs/dbraw/zinc/63/75/70/791637570.db2.gz PZMFOOMOTIKJLQ-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)CO2 ZINC001069040643 791637689 /nfs/dbraw/zinc/63/76/89/791637689.db2.gz PZMFOOMOTIKJLQ-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2nccnc2C#N)C[C@@H]1C ZINC001069174640 791759074 /nfs/dbraw/zinc/75/90/74/791759074.db2.gz BJKORGIJBGILQL-AAEUAGOBSA-N 1 1 325.376 0.955 20 30 ECEDMO C[N@@H+](CC(=O)N1CCO[C@@H](CNc2ccc(C#N)nn2)C1)C1CCC1 ZINC001066686792 791988415 /nfs/dbraw/zinc/98/84/15/791988415.db2.gz BBOWKFCYDSTCSX-HNNXBMFYSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@@H+](CC(=O)N1CCO[C@@H](CNc2nccnc2C#N)C1)C1CCC1 ZINC001066687183 791989730 /nfs/dbraw/zinc/98/97/30/791989730.db2.gz HQGHHDCNJCBWBA-AWEZNQCLSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066702059 792030694 /nfs/dbraw/zinc/03/06/94/792030694.db2.gz AUCIJDUDMISVNR-VNQPRFMTSA-N 1 1 340.431 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1[nH]cnc1C ZINC001067709372 792164994 /nfs/dbraw/zinc/16/49/94/792164994.db2.gz PMIXGSJVVGGEJG-HNNXBMFYSA-N 1 1 345.447 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1[nH]cnc1C ZINC001067709372 792164998 /nfs/dbraw/zinc/16/49/98/792164998.db2.gz PMIXGSJVVGGEJG-HNNXBMFYSA-N 1 1 345.447 0.736 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1ccc(C#N)nn1 ZINC001067741935 792210858 /nfs/dbraw/zinc/21/08/58/792210858.db2.gz DHNGTUDHAVNMAE-CABCVRRESA-N 1 1 328.420 0.870 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1ccnc(C#N)n1 ZINC001067742648 792211569 /nfs/dbraw/zinc/21/15/69/792211569.db2.gz NQJBMYYUQQQQON-KBPBESRZSA-N 1 1 328.420 0.870 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(Nc3ccncc3C#N)C2)C1 ZINC001066905862 792338145 /nfs/dbraw/zinc/33/81/45/792338145.db2.gz CGYNGFWNEGGAEQ-RDTXWAMCSA-N 1 1 343.431 0.092 20 30 ECEDMO Cc1ccc(C#N)c(NCC2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001067838753 792351150 /nfs/dbraw/zinc/35/11/50/792351150.db2.gz XNVWEOLAQIZPDW-BCLQGDPASA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1ccc(C#N)c(NCC2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001067838753 792351170 /nfs/dbraw/zinc/35/11/70/792351170.db2.gz XNVWEOLAQIZPDW-BCLQGDPASA-N 1 1 343.431 0.899 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CC(CNc3cncc(C#N)n3)C2)C1 ZINC001067856981 792381021 /nfs/dbraw/zinc/38/10/21/792381021.db2.gz VMMFOAFTHSEPCE-HSBZDZAISA-N 1 1 328.420 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2ncccn2)C1 ZINC001066928329 792407654 /nfs/dbraw/zinc/40/76/54/792407654.db2.gz IAGGTICUCLOSNR-MAUKXSAKSA-N 1 1 343.431 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2ncccn2)C1 ZINC001066928329 792407659 /nfs/dbraw/zinc/40/76/59/792407659.db2.gz IAGGTICUCLOSNR-MAUKXSAKSA-N 1 1 343.431 0.340 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001067001042 792544828 /nfs/dbraw/zinc/54/48/28/792544828.db2.gz KEMWFQKCZBYMRB-HUUCEWRRSA-N 1 1 325.453 0.694 20 30 ECEDMO C=CCn1cc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001067010607 792572805 /nfs/dbraw/zinc/57/28/05/792572805.db2.gz QVWUNZDQWQIAQT-HNNXBMFYSA-N 1 1 348.451 0.479 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)CC2(C)C)C1 ZINC001068102149 792673771 /nfs/dbraw/zinc/67/37/71/792673771.db2.gz IMFTVAMNSLYMJL-JKSUJKDBSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)CC2(C)C)C1 ZINC001068102149 792673777 /nfs/dbraw/zinc/67/37/77/792673777.db2.gz IMFTVAMNSLYMJL-JKSUJKDBSA-N 1 1 343.431 0.615 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC1(C)C ZINC001068127078 792717111 /nfs/dbraw/zinc/71/71/11/792717111.db2.gz SPYQKJASKYVBFU-CQSZACIVSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(C)=O)CC1 ZINC001068247063 792929325 /nfs/dbraw/zinc/92/93/25/792929325.db2.gz PPZGNSXTOXPUHN-HDICACEKSA-N 1 1 347.459 0.712 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CC[N@H+](C)CC ZINC001067292562 792945731 /nfs/dbraw/zinc/94/57/31/792945731.db2.gz QZPLBBNSQXZXJQ-KRWDZBQOSA-N 1 1 327.469 0.962 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001068393916 793198107 /nfs/dbraw/zinc/19/81/07/793198107.db2.gz FCKSCCXEQBFJLQ-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CN(C(=O)C#CC(C)(C)C)CCO3)C1 ZINC001068395938 793205037 /nfs/dbraw/zinc/20/50/37/793205037.db2.gz NENMCEDBAUAWSS-OAHLLOKOSA-N 1 1 347.459 0.427 20 30 ECEDMO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001068403774 793230796 /nfs/dbraw/zinc/23/07/96/793230796.db2.gz WELLGGMKMNJECL-JKSUJKDBSA-N 1 1 349.475 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCOCCO)c1 ZINC001267428232 837403887 /nfs/dbraw/zinc/40/38/87/837403887.db2.gz HFLAQQWOZSCNQO-CALCHBBNSA-N 1 1 329.400 0.361 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOCCO)c1 ZINC001267428232 837403906 /nfs/dbraw/zinc/40/39/06/837403906.db2.gz HFLAQQWOZSCNQO-CALCHBBNSA-N 1 1 329.400 0.361 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001267481563 837536080 /nfs/dbraw/zinc/53/60/80/837536080.db2.gz JHSYODDUKIXAQI-HZPDHXFCSA-N 1 1 344.463 0.962 20 30 ECEDMO C=C(C)C[N@H+](CCCNC(=O)CN1C(=O)C(=O)N(C)C1=O)C(C)C ZINC001267510498 837601778 /nfs/dbraw/zinc/60/17/78/837601778.db2.gz SAZGZALRWHIYKT-UHFFFAOYSA-N 1 1 338.408 0.200 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CCNC(=O)c3ncc[nH]3)C2)C1=O ZINC001267523754 837682339 /nfs/dbraw/zinc/68/23/39/837682339.db2.gz LXFKXFPZHIKQDI-UONOGXRCSA-N 1 1 331.420 0.638 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001267530548 837704184 /nfs/dbraw/zinc/70/41/84/837704184.db2.gz BYQWPKQEFDBLSA-GXTWGEPZSA-N 1 1 348.451 0.175 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001267530548 837704192 /nfs/dbraw/zinc/70/41/92/837704192.db2.gz BYQWPKQEFDBLSA-GXTWGEPZSA-N 1 1 348.451 0.175 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001267530548 837704199 /nfs/dbraw/zinc/70/41/99/837704199.db2.gz BYQWPKQEFDBLSA-GXTWGEPZSA-N 1 1 348.451 0.175 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001267539638 837723393 /nfs/dbraw/zinc/72/33/93/837723393.db2.gz IQXSUJUVEAUQHK-QAPCUYQASA-N 1 1 337.464 0.859 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001267539638 837723398 /nfs/dbraw/zinc/72/33/98/837723398.db2.gz IQXSUJUVEAUQHK-QAPCUYQASA-N 1 1 337.464 0.859 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001267541746 837729159 /nfs/dbraw/zinc/72/91/59/837729159.db2.gz HWSNCCUPPSSJMH-CYBMUJFWSA-N 1 1 334.424 0.266 20 30 ECEDMO Cc1cnc(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cc1C ZINC001267552036 837754322 /nfs/dbraw/zinc/75/43/22/837754322.db2.gz JUHXCSRLYHKQNA-OAHLLOKOSA-N 1 1 343.431 0.780 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2cncc(C)c2)C1 ZINC001267552655 837755131 /nfs/dbraw/zinc/75/51/31/837755131.db2.gz QALJBRKOLMNJII-MRXNPFEDSA-N 1 1 342.443 0.510 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)C2(C(F)F)CC2)C1 ZINC001267555911 837762000 /nfs/dbraw/zinc/76/20/00/837762000.db2.gz KHGKCGNKYIWJES-STQMWFEESA-N 1 1 341.402 0.998 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](F)CC)C1 ZINC001267560883 837771649 /nfs/dbraw/zinc/77/16/49/837771649.db2.gz KSDBYLLCKQRQAM-STQMWFEESA-N 1 1 342.415 0.575 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001267562210 837775540 /nfs/dbraw/zinc/77/55/40/837775540.db2.gz YMNFMOUIOHIMFU-CYBMUJFWSA-N 1 1 326.404 0.828 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001267566906 837786437 /nfs/dbraw/zinc/78/64/37/837786437.db2.gz JTHVRGGBUNHTHP-CYBMUJFWSA-N 1 1 331.482 0.719 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001267567368 837787666 /nfs/dbraw/zinc/78/76/66/837787666.db2.gz BRSAJCMDLBFBAY-AWEZNQCLSA-N 1 1 336.436 0.723 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001267569020 837793523 /nfs/dbraw/zinc/79/35/23/837793523.db2.gz ZSCOVXAZBHVNGR-CYBMUJFWSA-N 1 1 346.435 0.185 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2nccn3cc(C)nc23)CC1 ZINC001267575341 837826035 /nfs/dbraw/zinc/82/60/35/837826035.db2.gz BNDBDSILIAUMAK-UHFFFAOYSA-N 1 1 340.431 0.361 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cccnc2OCC)CC1 ZINC001267576327 837830477 /nfs/dbraw/zinc/83/04/77/837830477.db2.gz WALICHCIJMUWRC-UHFFFAOYSA-N 1 1 330.432 0.803 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCOCC)C1 ZINC001266251915 835557055 /nfs/dbraw/zinc/55/70/55/835557055.db2.gz IMHYCZWJTIXTAC-CQSZACIVSA-N 1 1 340.468 0.867 20 30 ECEDMO C=C(Cl)CN1CC[NH+](CCCNC(=O)CC(=O)NCC)CC1 ZINC001266262649 835573099 /nfs/dbraw/zinc/57/30/99/835573099.db2.gz MYLUKNIUJXMJCM-UHFFFAOYSA-N 1 1 330.860 0.389 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)CCc2ccc(=O)[nH]c2)CC1 ZINC001266271137 835592208 /nfs/dbraw/zinc/59/22/08/835592208.db2.gz GOCLANHZQAACMW-UHFFFAOYSA-N 1 1 344.459 0.867 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001266277805 835603758 /nfs/dbraw/zinc/60/37/58/835603758.db2.gz QUMFWQVAFUKCEP-OAHLLOKOSA-N 1 1 332.452 0.150 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1nnc(C(C)C)[nH]1 ZINC001266285472 835620081 /nfs/dbraw/zinc/62/00/81/835620081.db2.gz ZWULIBNVBZGJQZ-AWEZNQCLSA-N 1 1 332.452 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1nnc(C(C)C)[nH]1 ZINC001266285472 835620083 /nfs/dbraw/zinc/62/00/83/835620083.db2.gz ZWULIBNVBZGJQZ-AWEZNQCLSA-N 1 1 332.452 0.574 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2coc(CC3CC3)n2)CC1 ZINC001266294597 835640965 /nfs/dbraw/zinc/64/09/65/835640965.db2.gz DKYHQZJPHJZEGY-UHFFFAOYSA-N 1 1 330.432 0.998 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2cccnc21 ZINC001266313276 835680931 /nfs/dbraw/zinc/68/09/31/835680931.db2.gz IJLXDOVTUGPPPN-DZGCQCFKSA-N 1 1 328.416 0.297 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2cccnc21 ZINC001266313276 835680937 /nfs/dbraw/zinc/68/09/37/835680937.db2.gz IJLXDOVTUGPPPN-DZGCQCFKSA-N 1 1 328.416 0.297 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CC[N@H+](C[C@H](O)c2cccc(OC)c2)C1 ZINC001266319097 835688403 /nfs/dbraw/zinc/68/84/03/835688403.db2.gz HAJYCNZQMUCZDS-WMZOPIPTSA-N 1 1 346.427 0.959 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 ZINC001266320517 835691252 /nfs/dbraw/zinc/69/12/52/835691252.db2.gz BUCUGFSRPPLFSJ-GOEBONIOSA-N 1 1 335.448 0.522 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 ZINC001266320517 835691257 /nfs/dbraw/zinc/69/12/57/835691257.db2.gz BUCUGFSRPPLFSJ-GOEBONIOSA-N 1 1 335.448 0.522 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC(F)F)C2)cc1 ZINC001266327599 835708098 /nfs/dbraw/zinc/70/80/98/835708098.db2.gz HWLYGYNWLKAIMG-ZDUSSCGKSA-N 1 1 336.342 0.630 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC(F)F)C2)cc1 ZINC001266327599 835708103 /nfs/dbraw/zinc/70/81/03/835708103.db2.gz HWLYGYNWLKAIMG-ZDUSSCGKSA-N 1 1 336.342 0.630 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001266332991 835715251 /nfs/dbraw/zinc/71/52/51/835715251.db2.gz DXWLADTVWLZEJT-ZIAGYGMSSA-N 1 1 343.493 0.671 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2c(C)nn(CC)c2C)C1=O ZINC001266340272 835726171 /nfs/dbraw/zinc/72/61/71/835726171.db2.gz QOOXODJSVMCEDA-HNNXBMFYSA-N 1 1 347.463 0.968 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2c(C)nn(CC)c2C)C1=O ZINC001266340272 835726177 /nfs/dbraw/zinc/72/61/77/835726177.db2.gz QOOXODJSVMCEDA-HNNXBMFYSA-N 1 1 347.463 0.968 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H](C)c2c(C)n[nH]c2C)C1=O ZINC001266340103 835726199 /nfs/dbraw/zinc/72/61/99/835726199.db2.gz KECYEONRQFOYPL-IUODEOHRSA-N 1 1 347.463 0.965 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H](C)c2c(C)n[nH]c2C)C1=O ZINC001266340103 835726205 /nfs/dbraw/zinc/72/62/05/835726205.db2.gz KECYEONRQFOYPL-IUODEOHRSA-N 1 1 347.463 0.965 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001266343936 835732200 /nfs/dbraw/zinc/73/22/00/835732200.db2.gz BAOFWNYYRGKUSC-RDJZCZTQSA-N 1 1 347.463 0.624 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cnn3c2CCCC3)C1=O ZINC001266344710 835734219 /nfs/dbraw/zinc/73/42/19/835734219.db2.gz NOICJMNCOHLUEM-MRXNPFEDSA-N 1 1 345.447 0.668 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cnn3c2CCCC3)C1=O ZINC001266344710 835734224 /nfs/dbraw/zinc/73/42/24/835734224.db2.gz NOICJMNCOHLUEM-MRXNPFEDSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345751 835735256 /nfs/dbraw/zinc/73/52/56/835735256.db2.gz XXWHQCNFVXQUPW-UKRRQHHQSA-N 1 1 343.431 0.090 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345751 835735269 /nfs/dbraw/zinc/73/52/69/835735269.db2.gz XXWHQCNFVXQUPW-UKRRQHHQSA-N 1 1 343.431 0.090 20 30 ECEDMO CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CSCC#N)C2 ZINC001279212997 835749429 /nfs/dbraw/zinc/74/94/29/835749429.db2.gz IWGOWDLAJQNVHJ-CRWXNKLISA-N 1 1 338.477 0.866 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001266362206 835772135 /nfs/dbraw/zinc/77/21/35/835772135.db2.gz ZKNMGXJLAVFPLD-STQMWFEESA-N 1 1 348.472 0.576 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001266362206 835772143 /nfs/dbraw/zinc/77/21/43/835772143.db2.gz ZKNMGXJLAVFPLD-STQMWFEESA-N 1 1 348.472 0.576 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)[C@H](C)COC)CC1 ZINC001266384848 835795840 /nfs/dbraw/zinc/79/58/40/835795840.db2.gz WYRDFHRNPWNSLX-OAHLLOKOSA-N 1 1 337.464 0.721 20 30 ECEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)Cn1ncnn1 ZINC001266391027 835800539 /nfs/dbraw/zinc/80/05/39/835800539.db2.gz WSSZKKRTVWQQDJ-UHFFFAOYSA-N 1 1 330.367 0.302 20 30 ECEDMO CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)Cn1ncnn1 ZINC001266391027 835800550 /nfs/dbraw/zinc/80/05/50/835800550.db2.gz WSSZKKRTVWQQDJ-UHFFFAOYSA-N 1 1 330.367 0.302 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cnn2ccncc12 ZINC001266394712 835802455 /nfs/dbraw/zinc/80/24/55/835802455.db2.gz WAYRAXDWIDFIFT-CYBMUJFWSA-N 1 1 344.419 0.472 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cnn2ccncc12 ZINC001266394712 835802462 /nfs/dbraw/zinc/80/24/62/835802462.db2.gz WAYRAXDWIDFIFT-CYBMUJFWSA-N 1 1 344.419 0.472 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001266399518 835806785 /nfs/dbraw/zinc/80/67/85/835806785.db2.gz YTSINCVKEXGCCD-HNNXBMFYSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001266399518 835806793 /nfs/dbraw/zinc/80/67/93/835806793.db2.gz YTSINCVKEXGCCD-HNNXBMFYSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001266437727 835841601 /nfs/dbraw/zinc/84/16/01/835841601.db2.gz KPEDKMBMYWCLDT-KBPBESRZSA-N 1 1 347.463 0.643 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001266437727 835841610 /nfs/dbraw/zinc/84/16/10/835841610.db2.gz KPEDKMBMYWCLDT-KBPBESRZSA-N 1 1 347.463 0.643 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)Cc2cc(C)on2)C1=O ZINC001266453472 835856821 /nfs/dbraw/zinc/85/68/21/835856821.db2.gz GCIWRBOZSZGBCL-JKSUJKDBSA-N 1 1 346.431 0.893 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@H](C[N@@H+](C)CCN2C(=O)CCC2=O)C1 ZINC001266455947 835859283 /nfs/dbraw/zinc/85/92/83/835859283.db2.gz ODHRXJOZVCRFSE-MRXNPFEDSA-N 1 1 347.459 0.965 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001266455916 835859351 /nfs/dbraw/zinc/85/93/51/835859351.db2.gz NQYUHFYQRWQHKD-DOTOQJQBSA-N 1 1 329.444 0.708 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001266457887 835861205 /nfs/dbraw/zinc/86/12/05/835861205.db2.gz OEEJBFGXDJNAED-TZMCWYRMSA-N 1 1 332.379 0.553 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001266457887 835861210 /nfs/dbraw/zinc/86/12/10/835861210.db2.gz OEEJBFGXDJNAED-TZMCWYRMSA-N 1 1 332.379 0.553 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001266459854 835862424 /nfs/dbraw/zinc/86/24/24/835862424.db2.gz UOFLNTTVDQHNEQ-CVEARBPZSA-N 1 1 335.448 0.333 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C1(C)CC1 ZINC001266465638 835866646 /nfs/dbraw/zinc/86/66/46/835866646.db2.gz YYRPPNFTNVMDAA-STQMWFEESA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(C)CC1 ZINC001266465638 835866652 /nfs/dbraw/zinc/86/66/52/835866652.db2.gz YYRPPNFTNVMDAA-STQMWFEESA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCc1nc(C)no1 ZINC001266473850 835876158 /nfs/dbraw/zinc/87/61/58/835876158.db2.gz BPANXKZGRIIEKN-ZDUSSCGKSA-N 1 1 335.408 0.193 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1nc(C)no1 ZINC001266473850 835876164 /nfs/dbraw/zinc/87/61/64/835876164.db2.gz BPANXKZGRIIEKN-ZDUSSCGKSA-N 1 1 335.408 0.193 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001266483217 835882574 /nfs/dbraw/zinc/88/25/74/835882574.db2.gz QLWYPSKHHXXXCJ-CQSZACIVSA-N 1 1 344.415 0.333 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001266483217 835882578 /nfs/dbraw/zinc/88/25/78/835882578.db2.gz QLWYPSKHHXXXCJ-CQSZACIVSA-N 1 1 344.415 0.333 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001266492241 835892188 /nfs/dbraw/zinc/89/21/88/835892188.db2.gz LCSGZKAAGQCVLW-OAHLLOKOSA-N 1 1 348.451 0.283 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001266492241 835892195 /nfs/dbraw/zinc/89/21/95/835892195.db2.gz LCSGZKAAGQCVLW-OAHLLOKOSA-N 1 1 348.451 0.283 20 30 ECEDMO C=CCCOCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC(=O)NC ZINC001266497201 835897439 /nfs/dbraw/zinc/89/74/39/835897439.db2.gz BYOXJKLLEOROEW-OLZOCXBDSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCCOCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(=O)NC ZINC001266497201 835897446 /nfs/dbraw/zinc/89/74/46/835897446.db2.gz BYOXJKLLEOROEW-OLZOCXBDSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001266501014 835902177 /nfs/dbraw/zinc/90/21/77/835902177.db2.gz ZWPUIZXJCICSTA-STQMWFEESA-N 1 1 333.436 0.715 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CC[N@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC001266506420 835908016 /nfs/dbraw/zinc/90/80/16/835908016.db2.gz WRBUREDIXYLILD-CQSZACIVSA-N 1 1 338.452 0.873 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2conc2C(C)C)C1 ZINC001266518056 835929412 /nfs/dbraw/zinc/92/94/12/835929412.db2.gz SJQJPFBSFLNHOU-ZDUSSCGKSA-N 1 1 332.404 0.599 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)COC2CCCCC2)C1 ZINC001266520183 835933097 /nfs/dbraw/zinc/93/30/97/835933097.db2.gz HPRDPRNXFMCSRL-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266520991 835935406 /nfs/dbraw/zinc/93/54/06/835935406.db2.gz XUXOGHOZEQTPFU-CVEARBPZSA-N 1 1 346.475 0.191 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001266523608 835938626 /nfs/dbraw/zinc/93/86/26/835938626.db2.gz RBHLLULNIRQWGB-JONQDZQNSA-N 1 1 332.448 0.891 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001266523608 835938632 /nfs/dbraw/zinc/93/86/32/835938632.db2.gz RBHLLULNIRQWGB-JONQDZQNSA-N 1 1 332.448 0.891 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc3c[nH]nc32)C1 ZINC001266525486 835940190 /nfs/dbraw/zinc/94/01/90/835940190.db2.gz IXNKUSUIXLFQBK-LBPRGKRZSA-N 1 1 340.387 0.254 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccc3c[nH]nc32)C1 ZINC001266525486 835940196 /nfs/dbraw/zinc/94/01/96/835940196.db2.gz IXNKUSUIXLFQBK-LBPRGKRZSA-N 1 1 340.387 0.254 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C=C)C1 ZINC001266526019 835940983 /nfs/dbraw/zinc/94/09/83/835940983.db2.gz PJNRLSMDNQJZNJ-CYBMUJFWSA-N 1 1 336.436 0.649 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001266545980 835967745 /nfs/dbraw/zinc/96/77/45/835967745.db2.gz SEKPFTYCFDQRKO-JTQLQIEISA-N 1 1 340.330 0.909 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001266545980 835967748 /nfs/dbraw/zinc/96/77/48/835967748.db2.gz SEKPFTYCFDQRKO-JTQLQIEISA-N 1 1 340.330 0.909 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2conc2COC)C1 ZINC001266546798 835968785 /nfs/dbraw/zinc/96/87/85/835968785.db2.gz XJHXCCJNLXJQBL-QWHCGFSZSA-N 1 1 348.403 0.011 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)c2csc(COC)n2)C1 ZINC001266551490 835976843 /nfs/dbraw/zinc/97/68/43/835976843.db2.gz TUXUXJWWVHNGRZ-ZDUSSCGKSA-N 1 1 337.445 0.991 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CCOCC(F)F)C2)CC1 ZINC001266567840 835997813 /nfs/dbraw/zinc/99/78/13/835997813.db2.gz UXWLIJLPLKETRP-HNNXBMFYSA-N 1 1 343.418 0.804 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccnc(C)n3)C2)C1=O ZINC000970896632 836016967 /nfs/dbraw/zinc/01/69/67/836016967.db2.gz VJXIOSUMIKMCRY-LRDDRELGSA-N 1 1 343.431 0.622 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)CNC(=O)c1ccncc1)C1CC1 ZINC001266594390 836025995 /nfs/dbraw/zinc/02/59/95/836025995.db2.gz KJJIUWIKKRHUDH-UHFFFAOYSA-N 1 1 344.415 0.042 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cnc(C2CC2)o1)C1CC1 ZINC001266594430 836026064 /nfs/dbraw/zinc/02/60/64/836026064.db2.gz KZTDFHHIWCYEIU-GFCCVEGCSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cnc(C2CC2)o1)C1CC1 ZINC001266594430 836026080 /nfs/dbraw/zinc/02/60/80/836026080.db2.gz KZTDFHHIWCYEIU-GFCCVEGCSA-N 1 1 344.415 0.884 20 30 ECEDMO CCc1nnc(C)cc1C(=O)NCC[N@H+](CC(=O)NCC#N)C1CC1 ZINC001266600146 836033793 /nfs/dbraw/zinc/03/37/93/836033793.db2.gz KOYVRSONMFKHLM-UHFFFAOYSA-N 1 1 344.419 0.181 20 30 ECEDMO CCc1nnc(C)cc1C(=O)NCC[N@@H+](CC(=O)NCC#N)C1CC1 ZINC001266600146 836033806 /nfs/dbraw/zinc/03/38/06/836033806.db2.gz KOYVRSONMFKHLM-UHFFFAOYSA-N 1 1 344.419 0.181 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CC(=O)N2CCCC2)C2CC2)cn1 ZINC001266617241 836051653 /nfs/dbraw/zinc/05/16/53/836051653.db2.gz AWLSXSJJWAUMFN-UHFFFAOYSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC(=O)N2CCCC2)C2CC2)cn1 ZINC001266617241 836051664 /nfs/dbraw/zinc/05/16/64/836051664.db2.gz AWLSXSJJWAUMFN-UHFFFAOYSA-N 1 1 340.427 0.880 20 30 ECEDMO CN(CC[NH2+]Cc1nnnn1-c1ccccc1)C(=O)CSCC#N ZINC001266644428 836079519 /nfs/dbraw/zinc/07/95/19/836079519.db2.gz IXIYWZUALSXLPJ-UHFFFAOYSA-N 1 1 345.432 0.467 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)COCCC)C1 ZINC001266659359 836096039 /nfs/dbraw/zinc/09/60/39/836096039.db2.gz OCQBYHPLOPCLKM-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cncn2C)C1 ZINC001266659098 836096075 /nfs/dbraw/zinc/09/60/75/836096075.db2.gz MEZWQZHWTZGEMJ-JKSUJKDBSA-N 1 1 330.432 0.996 20 30 ECEDMO C#CCCCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001266746228 836232378 /nfs/dbraw/zinc/23/23/78/836232378.db2.gz DLWOAHZMTUHLFQ-KRWDZBQOSA-N 1 1 349.475 0.867 20 30 ECEDMO C#CCCCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001266746229 836232548 /nfs/dbraw/zinc/23/25/48/836232548.db2.gz DLWOAHZMTUHLFQ-QGZVFWFLSA-N 1 1 349.475 0.867 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001266754539 836248273 /nfs/dbraw/zinc/24/82/73/836248273.db2.gz CTWQMXDMPWOAOF-MRXNPFEDSA-N 1 1 336.480 0.555 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ncccc2F)C1 ZINC001266763593 836266802 /nfs/dbraw/zinc/26/68/02/836266802.db2.gz GNGXISVOZOLINF-ZDUSSCGKSA-N 1 1 334.395 0.965 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001266766214 836271410 /nfs/dbraw/zinc/27/14/10/836271410.db2.gz FEKBNDVCTLLASL-CQSZACIVSA-N 1 1 336.436 0.723 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CCC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001266767419 836274218 /nfs/dbraw/zinc/27/42/18/836274218.db2.gz NAJBUIGBWSVLPH-HZPDHXFCSA-N 1 1 336.480 0.294 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CCC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001266767419 836274226 /nfs/dbraw/zinc/27/42/26/836274226.db2.gz NAJBUIGBWSVLPH-HZPDHXFCSA-N 1 1 336.480 0.294 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC(N)=O)cc1 ZINC001266839806 836367777 /nfs/dbraw/zinc/36/77/77/836367777.db2.gz ISBFZRVGRZLKNG-OAHLLOKOSA-N 1 1 344.415 0.935 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001266859663 836397103 /nfs/dbraw/zinc/39/71/03/836397103.db2.gz NGXAKGWEMMRGEX-ZDUSSCGKSA-N 1 1 326.441 0.213 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)Cn2ccnc2)C1=O ZINC001266860103 836400147 /nfs/dbraw/zinc/40/01/47/836400147.db2.gz XIPXABKIZXXZPX-CVEARBPZSA-N 1 1 345.447 0.641 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)Cn2ccnc2)C1=O ZINC001266860103 836400155 /nfs/dbraw/zinc/40/01/55/836400155.db2.gz XIPXABKIZXXZPX-CVEARBPZSA-N 1 1 345.447 0.641 20 30 ECEDMO C[C@@H](NC(=O)C(N)=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001266895901 836446510 /nfs/dbraw/zinc/44/65/10/836446510.db2.gz UUHDWWDALBURLU-BXUZGUMPSA-N 1 1 332.379 0.899 20 30 ECEDMO C[C@H]1CC[C@H](CCC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)O1 ZINC001266906197 836464084 /nfs/dbraw/zinc/46/40/84/836464084.db2.gz OREZFMLWUARDGB-RKWLLSJHSA-N 1 1 334.420 0.020 20 30 ECEDMO C[C@H]1CC[C@H](CCC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)O1 ZINC001266906197 836464089 /nfs/dbraw/zinc/46/40/89/836464089.db2.gz OREZFMLWUARDGB-RKWLLSJHSA-N 1 1 334.420 0.020 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCNS(C)(=O)=O ZINC001279541224 836500637 /nfs/dbraw/zinc/50/06/37/836500637.db2.gz IMYPNUAPGJLIHL-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H](C)[NH2+]Cc2ncc(C)cn2)nn1 ZINC001266977380 836548630 /nfs/dbraw/zinc/54/86/30/836548630.db2.gz OUVWPZKITMUILS-ZDUSSCGKSA-N 1 1 329.408 0.861 20 30 ECEDMO COCC#CC[NH2+]CCc1ccc(CNC(=O)Cc2nnc[nH]2)cc1 ZINC001267098406 836764439 /nfs/dbraw/zinc/76/44/39/836764439.db2.gz OBXCBKPPCHEKCD-UHFFFAOYSA-N 1 1 341.415 0.446 20 30 ECEDMO CCCCO[C@@H](C)C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267099913 836769700 /nfs/dbraw/zinc/76/97/00/836769700.db2.gz FLBXMMXXTZDSKN-LSDHHAIUSA-N 1 1 338.452 0.754 20 30 ECEDMO CCCCO[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267099913 836769710 /nfs/dbraw/zinc/76/97/10/836769710.db2.gz FLBXMMXXTZDSKN-LSDHHAIUSA-N 1 1 338.452 0.754 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)n2cccn2)C1 ZINC001267101226 836771695 /nfs/dbraw/zinc/77/16/95/836771695.db2.gz RCONIVHZTJURME-LSDHHAIUSA-N 1 1 331.420 0.116 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)n2cccn2)C1 ZINC001267101226 836771703 /nfs/dbraw/zinc/77/17/03/836771703.db2.gz RCONIVHZTJURME-LSDHHAIUSA-N 1 1 331.420 0.116 20 30 ECEDMO CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001267103522 836778234 /nfs/dbraw/zinc/77/82/34/836778234.db2.gz AFVGNIJHVZLEHA-HZPDHXFCSA-N 1 1 335.448 0.427 20 30 ECEDMO COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2ccn(C)n2)C1 ZINC001267103890 836779255 /nfs/dbraw/zinc/77/92/55/836779255.db2.gz IFBCZGBUDYJIEP-KRWDZBQOSA-N 1 1 332.448 0.925 20 30 ECEDMO CCO[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)C(C)C ZINC001267105568 836785516 /nfs/dbraw/zinc/78/55/16/836785516.db2.gz KXWUBMLBTMAKSC-GDBMZVCRSA-N 1 1 338.452 0.610 20 30 ECEDMO CCO[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)C(C)C ZINC001267105568 836785523 /nfs/dbraw/zinc/78/55/23/836785523.db2.gz KXWUBMLBTMAKSC-GDBMZVCRSA-N 1 1 338.452 0.610 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CCCN2CCCC2=O)C1 ZINC001267106515 836787674 /nfs/dbraw/zinc/78/76/74/836787674.db2.gz QYPOHOWGEJCGSB-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NC(C)C)C2)nn1 ZINC001267111086 836796802 /nfs/dbraw/zinc/79/68/02/836796802.db2.gz FVWZVMFKBOLLJT-CQSZACIVSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NC(C)C)C2)nn1 ZINC001267111086 836796809 /nfs/dbraw/zinc/79/68/09/836796809.db2.gz FVWZVMFKBOLLJT-CQSZACIVSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N(C)CC[NH2+]Cc1nccn1C ZINC001267117774 836815384 /nfs/dbraw/zinc/81/53/84/836815384.db2.gz XTHAPRWPCRVXCW-UHFFFAOYSA-N 1 1 336.440 0.232 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCC[C@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC001267163035 836882279 /nfs/dbraw/zinc/88/22/79/836882279.db2.gz LCBDSKGVZHFOKP-KBPBESRZSA-N 1 1 334.420 0.656 20 30 ECEDMO CCOCCCC(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001279597180 836955707 /nfs/dbraw/zinc/95/57/07/836955707.db2.gz HWWGEYHFCFDJQK-LSDHHAIUSA-N 1 1 336.436 0.366 20 30 ECEDMO CCOCCCC(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001279597180 836955713 /nfs/dbraw/zinc/95/57/13/836955713.db2.gz HWWGEYHFCFDJQK-LSDHHAIUSA-N 1 1 336.436 0.366 20 30 ECEDMO C#CCNC(=O)CN(C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001267195917 836963087 /nfs/dbraw/zinc/96/30/87/836963087.db2.gz SVIVFKLGUCTJLR-INIZCTEOSA-N 1 1 348.491 0.438 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)COC ZINC001279597723 836968438 /nfs/dbraw/zinc/96/84/38/836968438.db2.gz OFVIHLNSFCBXBY-BZUAXINKSA-N 1 1 326.437 0.652 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1nnnn1C1CC1 ZINC001267201003 836974827 /nfs/dbraw/zinc/97/48/27/836974827.db2.gz UPIJXOONGWPRIL-HIFRSBDPSA-N 1 1 345.451 0.215 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1nnnn1C1CC1 ZINC001267201003 836974836 /nfs/dbraw/zinc/97/48/36/836974836.db2.gz UPIJXOONGWPRIL-HIFRSBDPSA-N 1 1 345.451 0.215 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2n[nH]c3c2CCCC3)C1=O ZINC001267205328 836984373 /nfs/dbraw/zinc/98/43/73/836984373.db2.gz HIDNBDBXTSJDDX-HNNXBMFYSA-N 1 1 345.447 0.737 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2n[nH]c3c2CCCC3)C1=O ZINC001267205328 836984378 /nfs/dbraw/zinc/98/43/78/836984378.db2.gz HIDNBDBXTSJDDX-HNNXBMFYSA-N 1 1 345.447 0.737 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2ccc(OC)nc2)C1=O ZINC001267206361 836987268 /nfs/dbraw/zinc/98/72/68/836987268.db2.gz XPOWURKFLHKRKD-AWEZNQCLSA-N 1 1 332.404 0.539 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2ccc(OC)nc2)C1=O ZINC001267206361 836987278 /nfs/dbraw/zinc/98/72/78/836987278.db2.gz XPOWURKFLHKRKD-AWEZNQCLSA-N 1 1 332.404 0.539 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2[nH]ccc2n1 ZINC001267207036 836989421 /nfs/dbraw/zinc/98/94/21/836989421.db2.gz ZNBNLQBRTFIYPD-GFCCVEGCSA-N 1 1 327.388 0.362 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2[nH]ccc2n1 ZINC001267207036 836989426 /nfs/dbraw/zinc/98/94/26/836989426.db2.gz ZNBNLQBRTFIYPD-GFCCVEGCSA-N 1 1 327.388 0.362 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1occc1Cl ZINC001267214746 837005428 /nfs/dbraw/zinc/00/54/28/837005428.db2.gz BSGHCPYKCJPOKD-UHFFFAOYSA-N 1 1 342.783 0.606 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1occc1Cl ZINC001267214746 837005435 /nfs/dbraw/zinc/00/54/35/837005435.db2.gz BSGHCPYKCJPOKD-UHFFFAOYSA-N 1 1 342.783 0.606 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1c2ccccc2nn1C ZINC001267225433 837023493 /nfs/dbraw/zinc/02/34/93/837023493.db2.gz VWJSPGWVUWUSBW-ZDUSSCGKSA-N 1 1 343.431 0.926 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1c2ccccc2nn1C ZINC001267225433 837023498 /nfs/dbraw/zinc/02/34/98/837023498.db2.gz VWJSPGWVUWUSBW-ZDUSSCGKSA-N 1 1 343.431 0.926 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2c(C)nn(C)c2F)C1=O ZINC001267227535 837027909 /nfs/dbraw/zinc/02/79/09/837027909.db2.gz URQNVCRMTJXHMZ-LBPRGKRZSA-N 1 1 337.399 0.316 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2c(C)nn(C)c2F)C1=O ZINC001267227535 837027915 /nfs/dbraw/zinc/02/79/15/837027915.db2.gz URQNVCRMTJXHMZ-LBPRGKRZSA-N 1 1 337.399 0.316 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C(N)=O)cc1 ZINC001267229804 837032077 /nfs/dbraw/zinc/03/20/77/837032077.db2.gz DPAYHYODFOGCIR-GFCCVEGCSA-N 1 1 332.404 0.138 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)cc1 ZINC001267229804 837032083 /nfs/dbraw/zinc/03/20/83/837032083.db2.gz DPAYHYODFOGCIR-GFCCVEGCSA-N 1 1 332.404 0.138 20 30 ECEDMO C[N@@H+](CCNC(=O)CC#Cc1ccccc1)CCN1C(=O)CNC1=O ZINC001267231188 837033982 /nfs/dbraw/zinc/03/39/82/837033982.db2.gz QVQJQHDXYNIGFG-UHFFFAOYSA-N 1 1 342.399 0.028 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@@H](C)C#N)CC(=O)N1CCO[C@H](C)C1 ZINC001267239338 837046770 /nfs/dbraw/zinc/04/67/70/837046770.db2.gz FASRJUASMQHRPP-LSDHHAIUSA-N 1 1 338.452 0.610 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@@H+](CC)CC(=O)N1CCCC[C@H]1C ZINC001267241302 837049098 /nfs/dbraw/zinc/04/90/98/837049098.db2.gz RGXSZRKFXIMTHV-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@H+](CC)CC(=O)N1CCCC[C@H]1C ZINC001267241302 837049107 /nfs/dbraw/zinc/04/91/07/837049107.db2.gz RGXSZRKFXIMTHV-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cnc2ccccc2n1)CC(=O)NCC#N ZINC001267242687 837052299 /nfs/dbraw/zinc/05/22/99/837052299.db2.gz VAXBOJOOJABIGX-UHFFFAOYSA-N 1 1 340.387 0.321 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cnc2ccccc2n1)CC(=O)NCC#N ZINC001267242687 837052302 /nfs/dbraw/zinc/05/23/02/837052302.db2.gz VAXBOJOOJABIGX-UHFFFAOYSA-N 1 1 340.387 0.321 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001267246436 837061284 /nfs/dbraw/zinc/06/12/84/837061284.db2.gz ZONQRJLQCKPMHA-AWEZNQCLSA-N 1 1 333.436 0.186 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001267246436 837061292 /nfs/dbraw/zinc/06/12/92/837061292.db2.gz ZONQRJLQCKPMHA-AWEZNQCLSA-N 1 1 333.436 0.186 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001267247337 837063285 /nfs/dbraw/zinc/06/32/85/837063285.db2.gz IZORRNJWAICKOX-CQSZACIVSA-N 1 1 346.431 0.594 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001267247337 837063296 /nfs/dbraw/zinc/06/32/96/837063296.db2.gz IZORRNJWAICKOX-CQSZACIVSA-N 1 1 346.431 0.594 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267250420 837069219 /nfs/dbraw/zinc/06/92/19/837069219.db2.gz IWHWZEYELBOFTC-CYBMUJFWSA-N 1 1 336.436 0.490 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2cccn(C)c2=O)C1=O ZINC001267255496 837076933 /nfs/dbraw/zinc/07/69/33/837076933.db2.gz IQBLLAAEPGMWRW-HNNXBMFYSA-N 1 1 346.431 0.224 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001267263676 837099123 /nfs/dbraw/zinc/09/91/23/837099123.db2.gz NJWVZSSUIPNORN-CHWSQXEVSA-N 1 1 336.436 0.625 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001267263676 837099128 /nfs/dbraw/zinc/09/91/28/837099128.db2.gz NJWVZSSUIPNORN-CHWSQXEVSA-N 1 1 336.436 0.625 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)Cc2nnc(C)o2)C1=O ZINC001267266858 837104068 /nfs/dbraw/zinc/10/40/68/837104068.db2.gz MNGDCNCBLKXGHI-KGLIPLIRSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)Cc2nnc(C)o2)C1=O ZINC001267266858 837104073 /nfs/dbraw/zinc/10/40/73/837104073.db2.gz MNGDCNCBLKXGHI-KGLIPLIRSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001267268818 837107895 /nfs/dbraw/zinc/10/78/95/837107895.db2.gz GPMKLGAVCBQABA-WCQYABFASA-N 1 1 333.392 0.067 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1CCN(C)S(C)(=O)=O ZINC001267272144 837113351 /nfs/dbraw/zinc/11/33/51/837113351.db2.gz JIPMTOFPAYSVPF-CYBMUJFWSA-N 1 1 331.482 0.671 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CCN(C)S(C)(=O)=O ZINC001267272144 837113355 /nfs/dbraw/zinc/11/33/55/837113355.db2.gz JIPMTOFPAYSVPF-CYBMUJFWSA-N 1 1 331.482 0.671 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)CN1CCCCS1(=O)=O ZINC001267274950 837116825 /nfs/dbraw/zinc/11/68/25/837116825.db2.gz DOPSJKMFKWXVBQ-CQSZACIVSA-N 1 1 327.450 0.016 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001267278501 837124830 /nfs/dbraw/zinc/12/48/30/837124830.db2.gz LLFZEOJFBJXUIY-ZOBUZTSGSA-N 1 1 335.448 0.850 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001267278501 837124833 /nfs/dbraw/zinc/12/48/33/837124833.db2.gz LLFZEOJFBJXUIY-ZOBUZTSGSA-N 1 1 335.448 0.850 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001267285332 837135337 /nfs/dbraw/zinc/13/53/37/837135337.db2.gz GICBLCZCHVXDNB-CABCVRRESA-N 1 1 348.447 0.793 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC001267290009 837140318 /nfs/dbraw/zinc/14/03/18/837140318.db2.gz KAKJPNHXDPXHDJ-HNNXBMFYSA-N 1 1 347.463 0.896 20 30 ECEDMO C#CCCCCC(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267292658 837147830 /nfs/dbraw/zinc/14/78/30/837147830.db2.gz YSOKJUAUOCDYPT-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO O=C(C#CC1CC1)NC[C@H]1CC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001267293556 837148296 /nfs/dbraw/zinc/14/82/96/837148296.db2.gz VFDLVDANPSQHED-OAHLLOKOSA-N 1 1 329.400 0.747 20 30 ECEDMO O=C(C#CC1CC1)NC[C@H]1CC[N@H+](CC(=O)NCc2ccco2)C1 ZINC001267293556 837148301 /nfs/dbraw/zinc/14/83/01/837148301.db2.gz VFDLVDANPSQHED-OAHLLOKOSA-N 1 1 329.400 0.747 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001267295425 837149723 /nfs/dbraw/zinc/14/97/23/837149723.db2.gz WGEBURGAJNITHI-NEPJUHHUSA-N 1 1 328.363 0.500 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001267295425 837149727 /nfs/dbraw/zinc/14/97/27/837149727.db2.gz WGEBURGAJNITHI-NEPJUHHUSA-N 1 1 328.363 0.500 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001267296224 837155245 /nfs/dbraw/zinc/15/52/45/837155245.db2.gz JHIFOCIRYXVHNX-DLBZAZTESA-N 1 1 344.459 0.842 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ncc(C)cc2C)C1 ZINC001267299464 837164327 /nfs/dbraw/zinc/16/43/27/837164327.db2.gz YIWXVFZHMDXPHB-HOTGVXAUSA-N 1 1 342.443 0.888 20 30 ECEDMO C#CCNC(=O)CN1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267302704 837167633 /nfs/dbraw/zinc/16/76/33/837167633.db2.gz GYCDQUXHYITZPU-IRXDYDNUSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)CN1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267302704 837167639 /nfs/dbraw/zinc/16/76/39/837167639.db2.gz GYCDQUXHYITZPU-IRXDYDNUSA-N 1 1 348.491 0.437 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001267302740 837168150 /nfs/dbraw/zinc/16/81/50/837168150.db2.gz HKRYDKBASZXSQV-RDJZCZTQSA-N 1 1 347.463 0.829 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2conc2COC)C1 ZINC001267306140 837175748 /nfs/dbraw/zinc/17/57/48/837175748.db2.gz DTMHEDRCTWLALN-LBPRGKRZSA-N 1 1 336.392 0.175 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc(N(C)C)ccn2)C1 ZINC001267309180 837184358 /nfs/dbraw/zinc/18/43/58/837184358.db2.gz JYKNXKPKNYTHGJ-CQSZACIVSA-N 1 1 345.447 0.502 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cnccc1C)C1CC1 ZINC001267323166 837200557 /nfs/dbraw/zinc/20/05/57/837200557.db2.gz INMATLIZUIAPSD-CQSZACIVSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cnccc1C)C1CC1 ZINC001267323166 837200567 /nfs/dbraw/zinc/20/05/67/837200567.db2.gz INMATLIZUIAPSD-CQSZACIVSA-N 1 1 328.416 0.722 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccnc1)C1CC1 ZINC001267332735 837214072 /nfs/dbraw/zinc/21/40/72/837214072.db2.gz IOJNRHPJQCQBDU-JKSUJKDBSA-N 1 1 341.415 0.405 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccnc1)C1CC1 ZINC001267332735 837214084 /nfs/dbraw/zinc/21/40/84/837214084.db2.gz IOJNRHPJQCQBDU-JKSUJKDBSA-N 1 1 341.415 0.405 20 30 ECEDMO C=C1CC(C)(C(=O)NCC[N@H+](CCNS(C)(=O)=O)C2CC2)C1 ZINC001267332915 837214697 /nfs/dbraw/zinc/21/46/97/837214697.db2.gz TYWNFOJIQUZAGU-UHFFFAOYSA-N 1 1 329.466 0.473 20 30 ECEDMO C=C1CC(C)(C(=O)NCC[N@@H+](CCNS(C)(=O)=O)C2CC2)C1 ZINC001267332915 837214705 /nfs/dbraw/zinc/21/47/05/837214705.db2.gz TYWNFOJIQUZAGU-UHFFFAOYSA-N 1 1 329.466 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]([NH2+][C@H](C)C(N)=O)c2ccccc2)nc1 ZINC001267376763 837289292 /nfs/dbraw/zinc/28/92/92/837289292.db2.gz IWVZINWUIAPMHR-DYVFJYSZSA-N 1 1 336.395 0.997 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnc(C)s2)C1 ZINC001267577608 837835054 /nfs/dbraw/zinc/83/50/54/837835054.db2.gz CGKZRFABRLKWOZ-JSGCOSHPSA-N 1 1 348.472 0.983 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001267581097 837844521 /nfs/dbraw/zinc/84/45/21/837844521.db2.gz IWCVGEQEGYBOEN-HUUCEWRRSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)CCc2ccn(C)n2)C1 ZINC001267581674 837845463 /nfs/dbraw/zinc/84/54/63/837845463.db2.gz CIWMXTBJSZHJDV-OAHLLOKOSA-N 1 1 347.463 0.435 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001267582763 837848373 /nfs/dbraw/zinc/84/83/73/837848373.db2.gz KNRKQXNPAFZSHT-OLZOCXBDSA-N 1 1 341.402 0.950 20 30 ECEDMO CCc1nc(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(C)o1 ZINC001267583537 837850486 /nfs/dbraw/zinc/85/04/86/837850486.db2.gz PAMKVLVJMYFAIZ-ZDUSSCGKSA-N 1 1 347.419 0.627 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)Nc2ccon2)C1 ZINC001267584116 837854304 /nfs/dbraw/zinc/85/43/04/837854304.db2.gz YGHDPXZDDCEEFP-AWEZNQCLSA-N 1 1 348.403 0.433 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)Nc2ccon2)C1 ZINC001267584116 837854313 /nfs/dbraw/zinc/85/43/13/837854313.db2.gz YGHDPXZDDCEEFP-AWEZNQCLSA-N 1 1 348.403 0.433 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 ZINC001267585068 837859568 /nfs/dbraw/zinc/85/95/68/837859568.db2.gz NTQQQDHMNPXDIK-OAHLLOKOSA-N 1 1 335.448 0.285 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001267591564 837882077 /nfs/dbraw/zinc/88/20/77/837882077.db2.gz GGKVBCLZFDNPPX-RYRKJORJSA-N 1 1 347.459 0.497 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC001267591782 837883459 /nfs/dbraw/zinc/88/34/59/837883459.db2.gz JAWYNQZWLDLBGP-LSDHHAIUSA-N 1 1 331.416 0.740 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(OC)n2)C1 ZINC001267591933 837883749 /nfs/dbraw/zinc/88/37/49/837883749.db2.gz LGXJLXGNTPFJQS-CQSZACIVSA-N 1 1 344.415 0.234 20 30 ECEDMO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001267591869 837884261 /nfs/dbraw/zinc/88/42/61/837884261.db2.gz KQCKCRPBNPHSPC-AWEZNQCLSA-N 1 1 329.466 0.072 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001267592738 837886216 /nfs/dbraw/zinc/88/62/16/837886216.db2.gz XLJFSOZGGJUFKX-QGZVFWFLSA-N 1 1 337.464 0.139 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)C[C@@H](O)COC)C2)nc1 ZINC001267592982 837887740 /nfs/dbraw/zinc/88/77/40/837887740.db2.gz AHDDZFIZZHMALG-HZPDHXFCSA-N 1 1 331.416 0.464 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H](OC)C2CC2)CC1 ZINC001267598377 837906625 /nfs/dbraw/zinc/90/66/25/837906625.db2.gz BTTJQUQZUODOHR-PBHICJAKSA-N 1 1 349.475 0.720 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001267598597 837908578 /nfs/dbraw/zinc/90/85/78/837908578.db2.gz JXLWQPIWNPRXOX-MRXNPFEDSA-N 1 1 336.432 0.760 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CCc3cnn(C)c3C2)CC1 ZINC001267609395 837969548 /nfs/dbraw/zinc/96/95/48/837969548.db2.gz YXEORPBRIPTSKH-INIZCTEOSA-N 1 1 343.475 0.234 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCc3cnn(C)c3C2)CC1 ZINC001267609395 837969558 /nfs/dbraw/zinc/96/95/58/837969558.db2.gz YXEORPBRIPTSKH-INIZCTEOSA-N 1 1 343.475 0.234 20 30 ECEDMO O=C(C#CC1CC1)N[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001267614952 837992743 /nfs/dbraw/zinc/99/27/43/837992743.db2.gz VSHMQPISUDTDAE-OAHLLOKOSA-N 1 1 339.461 0.016 20 30 ECEDMO O=C(C#CC1CC1)N[C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001267614952 837992748 /nfs/dbraw/zinc/99/27/48/837992748.db2.gz VSHMQPISUDTDAE-OAHLLOKOSA-N 1 1 339.461 0.016 20 30 ECEDMO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001267618536 838051532 /nfs/dbraw/zinc/05/15/32/838051532.db2.gz QDLFFCNROYBOMD-CQSZACIVSA-N 1 1 348.447 0.521 20 30 ECEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001267618536 838051546 /nfs/dbraw/zinc/05/15/46/838051546.db2.gz QDLFFCNROYBOMD-CQSZACIVSA-N 1 1 348.447 0.521 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC001267625432 838074974 /nfs/dbraw/zinc/07/49/74/838074974.db2.gz KHLJUSHPTRFNFK-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)CCn2ccccc2=O)C1 ZINC001267627590 838078394 /nfs/dbraw/zinc/07/83/94/838078394.db2.gz AOCYGHZJZTYITE-INIZCTEOSA-N 1 1 331.416 0.469 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)CCn2ccccc2=O)C1 ZINC001267627590 838078405 /nfs/dbraw/zinc/07/84/05/838078405.db2.gz AOCYGHZJZTYITE-INIZCTEOSA-N 1 1 331.416 0.469 20 30 ECEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001267628602 838083978 /nfs/dbraw/zinc/08/39/78/838083978.db2.gz CLEBEEZMLTWUFZ-HNNXBMFYSA-N 1 1 343.493 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001267634335 838101858 /nfs/dbraw/zinc/10/18/58/838101858.db2.gz RSUAQLXYUCHRMK-ZFWWWQNUSA-N 1 1 327.450 0.062 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001267639180 838118047 /nfs/dbraw/zinc/11/80/47/838118047.db2.gz ZPXQDOMAFHKHEV-WBVHZDCISA-N 1 1 342.443 0.542 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CCc2cnn(C)c2)C1 ZINC001267646087 838131284 /nfs/dbraw/zinc/13/12/84/838131284.db2.gz LNTLLMHENKLNEB-DOTOQJQBSA-N 1 1 332.448 0.781 20 30 ECEDMO CCN(CCNC(=O)c1ccc(C#N)[nH]1)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001408733047 838167972 /nfs/dbraw/zinc/16/79/72/838167972.db2.gz WRKARZWMSLXGSJ-OAHLLOKOSA-N 1 1 347.419 0.185 20 30 ECEDMO CCN(CCNC(=O)c1ccc(C#N)[nH]1)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001408733047 838167977 /nfs/dbraw/zinc/16/79/77/838167977.db2.gz WRKARZWMSLXGSJ-OAHLLOKOSA-N 1 1 347.419 0.185 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2cccc3ncn(C)c32)C1 ZINC001267688926 838254229 /nfs/dbraw/zinc/25/42/29/838254229.db2.gz ZVUNHYGNPBBSBG-UHFFFAOYSA-N 1 1 326.400 0.885 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001267689351 838258536 /nfs/dbraw/zinc/25/85/36/838258536.db2.gz DFXRQWVIYPAAKV-UONOGXRCSA-N 1 1 333.436 0.423 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001267697119 838289800 /nfs/dbraw/zinc/28/98/00/838289800.db2.gz OVPVMCAVJNOLBU-ZIAGYGMSSA-N 1 1 333.436 0.423 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC1C[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC001267697363 838290752 /nfs/dbraw/zinc/29/07/52/838290752.db2.gz ILPBIKCJCCZLHT-GOSISDBHSA-N 1 1 339.439 0.879 20 30 ECEDMO C=CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001267705835 838310468 /nfs/dbraw/zinc/31/04/68/838310468.db2.gz PFXYCXYFSLKDSU-JYJNAYRXSA-N 1 1 334.464 0.448 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)c2nccnc2N)CC1 ZINC001267718342 838366682 /nfs/dbraw/zinc/36/66/82/838366682.db2.gz HCDYMVLSAQRTBY-UHFFFAOYSA-N 1 1 331.420 0.493 20 30 ECEDMO CCCSCC(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267718428 838369287 /nfs/dbraw/zinc/36/92/87/838369287.db2.gz KDKQKVPENNZEMS-UHFFFAOYSA-N 1 1 340.493 0.940 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001267729629 838415667 /nfs/dbraw/zinc/41/56/67/838415667.db2.gz DDRRMLHWDWNJGR-UHFFFAOYSA-N 1 1 342.390 0.842 20 30 ECEDMO C=CCC[N@H+](C)CC1CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC001267730111 838416579 /nfs/dbraw/zinc/41/65/79/838416579.db2.gz NPBGGFUMQQGSRG-UHFFFAOYSA-N 1 1 343.493 0.768 20 30 ECEDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737314 838433786 /nfs/dbraw/zinc/43/37/86/838433786.db2.gz GJRRBRPNNSIOQP-VXGBXAGGSA-N 1 1 326.466 0.737 20 30 ECEDMO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737314 838433791 /nfs/dbraw/zinc/43/37/91/838433791.db2.gz GJRRBRPNNSIOQP-VXGBXAGGSA-N 1 1 326.466 0.737 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@H](CCC)OC)CC1 ZINC001267740121 838439286 /nfs/dbraw/zinc/43/92/86/838439286.db2.gz UTEFHZCSHFANNO-INIZCTEOSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC001267743972 838446313 /nfs/dbraw/zinc/44/63/13/838446313.db2.gz CFZVQJTVCHQZGO-RDBSUJKOSA-N 1 1 347.381 0.588 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CSC(C)C)C1 ZINC001267756757 838482255 /nfs/dbraw/zinc/48/22/55/838482255.db2.gz LRFLLTWJZFJRBL-ZIAGYGMSSA-N 1 1 325.478 0.799 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CSC(C)C)C1 ZINC001267756757 838482258 /nfs/dbraw/zinc/48/22/58/838482258.db2.gz LRFLLTWJZFJRBL-ZIAGYGMSSA-N 1 1 325.478 0.799 20 30 ECEDMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001267759560 838485569 /nfs/dbraw/zinc/48/55/69/838485569.db2.gz LADYVDJTUMCWTO-OLZOCXBDSA-N 1 1 330.454 0.008 20 30 ECEDMO CN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001267761172 838487444 /nfs/dbraw/zinc/48/74/44/838487444.db2.gz CFBXVYCZKVCVPB-HOTGVXAUSA-N 1 1 349.475 0.552 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267761953 838490672 /nfs/dbraw/zinc/49/06/72/838490672.db2.gz MGPGTGRJGRZDRD-HOTGVXAUSA-N 1 1 336.480 0.694 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC001267763511 838493389 /nfs/dbraw/zinc/49/33/89/838493389.db2.gz XXDYBRMWTGAJLI-WMLDXEAASA-N 1 1 343.427 0.857 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC001267763511 838493393 /nfs/dbraw/zinc/49/33/93/838493393.db2.gz XXDYBRMWTGAJLI-WMLDXEAASA-N 1 1 343.427 0.857 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001267772937 838529971 /nfs/dbraw/zinc/52/99/71/838529971.db2.gz YBLCEYVYPXMMMO-JSGCOSHPSA-N 1 1 331.420 0.311 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001267772937 838529977 /nfs/dbraw/zinc/52/99/77/838529977.db2.gz YBLCEYVYPXMMMO-JSGCOSHPSA-N 1 1 331.420 0.311 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](CC#CCOC)C2)nn1 ZINC001267773581 838533349 /nfs/dbraw/zinc/53/33/49/838533349.db2.gz OJYGOVNCHFWSIE-HNNXBMFYSA-N 1 1 331.420 0.650 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2CC[N@H+](CC#CCOC)C2)nn1 ZINC001267773581 838533358 /nfs/dbraw/zinc/53/33/58/838533358.db2.gz OJYGOVNCHFWSIE-HNNXBMFYSA-N 1 1 331.420 0.650 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001267777150 838543153 /nfs/dbraw/zinc/54/31/53/838543153.db2.gz JOWGLDASSPCJND-JKSUJKDBSA-N 1 1 345.447 0.331 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001267777150 838543157 /nfs/dbraw/zinc/54/31/57/838543157.db2.gz JOWGLDASSPCJND-JKSUJKDBSA-N 1 1 345.447 0.331 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc(F)cc2)C1 ZINC001267778232 838546205 /nfs/dbraw/zinc/54/62/05/838546205.db2.gz XBCGXAXUJZOIJU-OAHLLOKOSA-N 1 1 347.390 0.487 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(F)cc2)C1 ZINC001267778232 838546215 /nfs/dbraw/zinc/54/62/15/838546215.db2.gz XBCGXAXUJZOIJU-OAHLLOKOSA-N 1 1 347.390 0.487 20 30 ECEDMO CCN(C(=O)c1cnc2[n-]nnc2c1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267787089 838564221 /nfs/dbraw/zinc/56/42/21/838564221.db2.gz VGPLDCUGHQGGSY-CQSZACIVSA-N 1 1 342.403 0.539 20 30 ECEDMO CCN(C(=O)c1cnc2n[nH]nc2c1)[C@@H]1CCN(CC#CCOC)C1 ZINC001267787089 838564223 /nfs/dbraw/zinc/56/42/23/838564223.db2.gz VGPLDCUGHQGGSY-CQSZACIVSA-N 1 1 342.403 0.539 20 30 ECEDMO CCN(C(=O)c1cnc2n[nH]nc2c1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267787089 838564228 /nfs/dbraw/zinc/56/42/28/838564228.db2.gz VGPLDCUGHQGGSY-CQSZACIVSA-N 1 1 342.403 0.539 20 30 ECEDMO CCN(C(=O)c1cnc2n[nH]nc2c1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267787089 838564235 /nfs/dbraw/zinc/56/42/35/838564235.db2.gz VGPLDCUGHQGGSY-CQSZACIVSA-N 1 1 342.403 0.539 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1ccc2cncn2c1C ZINC001267994197 838941165 /nfs/dbraw/zinc/94/11/65/838941165.db2.gz OUHDWFUZFBWSCT-ZDUSSCGKSA-N 1 1 341.415 0.348 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(CC#CCOC)CCO1 ZINC001268028214 839039665 /nfs/dbraw/zinc/03/96/65/839039665.db2.gz AQMIJRRMJVHPPE-DLBZAZTESA-N 1 1 337.464 0.328 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CCC[C@@H](C)O)CCO2)nc1 ZINC001268028985 839044577 /nfs/dbraw/zinc/04/45/77/839044577.db2.gz ALSFLRNTMKNTAO-GDBMZVCRSA-N 1 1 331.416 0.655 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCC[C@@H](C)O)CCO2)nc1 ZINC001268028985 839044594 /nfs/dbraw/zinc/04/45/94/839044594.db2.gz ALSFLRNTMKNTAO-GDBMZVCRSA-N 1 1 331.416 0.655 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 ZINC001268030318 839050581 /nfs/dbraw/zinc/05/05/81/839050581.db2.gz PAJDLZQTPBBNTI-KBPBESRZSA-N 1 1 340.468 0.853 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC001268042841 839188258 /nfs/dbraw/zinc/18/82/58/839188258.db2.gz WWLPKMUBRMVTPD-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO CCNC(=O)CCC(=O)N1CCC2(C[NH+](CC#CCOC)C2)CC1 ZINC001268042949 839188516 /nfs/dbraw/zinc/18/85/16/839188516.db2.gz ABGJLUDMOBUMEB-UHFFFAOYSA-N 1 1 335.448 0.477 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC000981001451 839305292 /nfs/dbraw/zinc/30/52/92/839305292.db2.gz JJZMJSOJYLKSRT-UHFFFAOYSA-N 1 1 341.419 0.943 20 30 ECEDMO Cc1ccc(N2CCC(NC(=O)Cn3cnc(C#N)n3)CC2)[nH+]c1 ZINC000426859666 210167371 /nfs/dbraw/zinc/16/73/71/210167371.db2.gz ROSLQUBLSKVGJQ-UHFFFAOYSA-N 1 1 325.376 0.638 20 30 ECEDMO Cn1cc([C@@H]2C[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C[C@H]2CO)cn1 ZINC000444746099 211096070 /nfs/dbraw/zinc/09/60/70/211096070.db2.gz CJVDQGIYLXCGPQ-ULQDDVLXSA-N 1 1 339.399 0.526 20 30 ECEDMO Cn1cc([C@@H]2C[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C[C@H]2CO)cn1 ZINC000444746099 211096073 /nfs/dbraw/zinc/09/60/73/211096073.db2.gz CJVDQGIYLXCGPQ-ULQDDVLXSA-N 1 1 339.399 0.526 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)CC1 ZINC000280095238 254547528 /nfs/dbraw/zinc/54/75/28/254547528.db2.gz JLOLEHJLJWOCGO-SFHVURJKSA-N 1 1 331.416 0.075 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC(=O)N2CCCCC2)C1 ZINC000328660006 254589764 /nfs/dbraw/zinc/58/97/64/254589764.db2.gz UORKPMFXFBJMHP-OAHLLOKOSA-N 1 1 340.468 0.859 20 30 ECEDMO Cc1cccc(NC(=O)NCC(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000331173531 254649533 /nfs/dbraw/zinc/64/95/33/254649533.db2.gz PGCCJWVKJSULKP-AWEZNQCLSA-N 1 1 334.420 0.846 20 30 ECEDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000152803197 286498405 /nfs/dbraw/zinc/49/84/05/286498405.db2.gz HHAGAANJLGLXIT-CVEARBPZSA-N 1 1 348.447 0.894 20 30 ECEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000271754689 263327859 /nfs/dbraw/zinc/32/78/59/263327859.db2.gz CMZMRAVUQMDJJR-CYBMUJFWSA-N 1 1 341.415 0.888 20 30 ECEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]CN3CCC(=O)CC3)C2=O)cc1 ZINC000277266213 263767259 /nfs/dbraw/zinc/76/72/59/263767259.db2.gz PKNXXWDZYVFRPE-KRWDZBQOSA-N 1 1 326.400 0.871 20 30 ECEDMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C[C@H]2C1 ZINC000279292847 263873915 /nfs/dbraw/zinc/87/39/15/263873915.db2.gz KJNUGCZIFROSOD-BETUJISGSA-N 1 1 344.419 0.468 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCN(CCN3CCCS3(=O)=O)CC2)cc1 ZINC000332278656 270005742 /nfs/dbraw/zinc/00/57/42/270005742.db2.gz KOZUUHWUULQCFU-UHFFFAOYSA-N 1 1 348.472 0.711 20 30 ECEDMO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292274912 266340959 /nfs/dbraw/zinc/34/09/59/266340959.db2.gz SLVVTTYRJRCJJR-CQSZACIVSA-N 1 1 338.433 0.736 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)no1 ZINC000359177951 266504056 /nfs/dbraw/zinc/50/40/56/266504056.db2.gz VZAGSMOTZXELHT-UHFFFAOYSA-N 1 1 340.387 0.965 20 30 ECEDMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000293100705 267050205 /nfs/dbraw/zinc/05/02/05/267050205.db2.gz RYJVXOJLWSAXJP-BETUJISGSA-N 1 1 345.403 0.507 20 30 ECEDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352036527 267110884 /nfs/dbraw/zinc/11/08/84/267110884.db2.gz HIRQXDUVQPJMHM-KBRIMQKVSA-N 1 1 328.416 0.880 20 30 ECEDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352036527 267110887 /nfs/dbraw/zinc/11/08/87/267110887.db2.gz HIRQXDUVQPJMHM-KBRIMQKVSA-N 1 1 328.416 0.880 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1sccc1C#N)CN1CC[NH+](C)CC1 ZINC000361851784 267159433 /nfs/dbraw/zinc/15/94/33/267159433.db2.gz PPSLBWREXUJUGG-GFCCVEGCSA-N 1 1 349.460 0.558 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000375506122 267164507 /nfs/dbraw/zinc/16/45/07/267164507.db2.gz CNEHDSMYYNPCSZ-CYBMUJFWSA-N 1 1 330.388 0.412 20 30 ECEDMO Cc1cc(C#N)nc(Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000341945519 267318337 /nfs/dbraw/zinc/31/83/37/267318337.db2.gz OYIDRIGKOZNABV-UHFFFAOYSA-N 1 1 340.391 0.371 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)NCC[N@@H+](C)C3CC3)CC2)c1C#N ZINC000530514273 268089801 /nfs/dbraw/zinc/08/98/01/268089801.db2.gz NBUYKCFAGOLYRC-UHFFFAOYSA-N 1 1 345.451 0.526 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000336883022 268177735 /nfs/dbraw/zinc/17/77/35/268177735.db2.gz XYNNBTYVTKJDMQ-YJBOKZPZSA-N 1 1 329.400 0.900 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C2)nc1 ZINC000366400319 268185277 /nfs/dbraw/zinc/18/52/77/268185277.db2.gz CUCZTJAUONDOSY-HNNXBMFYSA-N 1 1 330.388 0.702 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)C2)nc1 ZINC000366400319 268185279 /nfs/dbraw/zinc/18/52/79/268185279.db2.gz CUCZTJAUONDOSY-HNNXBMFYSA-N 1 1 330.388 0.702 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)c1 ZINC000362405011 268250076 /nfs/dbraw/zinc/25/00/76/268250076.db2.gz DSKGDDDOWLETOE-GOSISDBHSA-N 1 1 326.400 0.777 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000368975376 268251315 /nfs/dbraw/zinc/25/13/15/268251315.db2.gz VIPATMIGRRPTBM-ZMSDIMECSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000368975376 268251317 /nfs/dbraw/zinc/25/13/17/268251317.db2.gz VIPATMIGRRPTBM-ZMSDIMECSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)C1=O ZINC000368246458 268304063 /nfs/dbraw/zinc/30/40/63/268304063.db2.gz WXHFHWMRNOLJNR-AVGNSLFASA-N 1 1 330.413 0.793 20 30 ECEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)C1=O ZINC000368246458 268304067 /nfs/dbraw/zinc/30/40/67/268304067.db2.gz WXHFHWMRNOLJNR-AVGNSLFASA-N 1 1 330.413 0.793 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000189365277 437593848 /nfs/dbraw/zinc/59/38/48/437593848.db2.gz MQUDPEZANQRURX-PBHICJAKSA-N 1 1 328.416 0.662 20 30 ECEDMO CNC(=O)c1ccc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000330850481 277257780 /nfs/dbraw/zinc/25/77/80/277257780.db2.gz NEWWNHRHDAQYPY-KBPBESRZSA-N 1 1 348.447 0.847 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000340724138 277847588 /nfs/dbraw/zinc/84/75/88/277847588.db2.gz LDGKUXMPUFEFCA-IAQYHMDHSA-N 1 1 335.408 0.103 20 30 ECEDMO COc1cnc(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)s1 ZINC000330735507 437600851 /nfs/dbraw/zinc/60/08/51/437600851.db2.gz LODYHALDIAIEGF-UHFFFAOYSA-N 1 1 341.437 0.793 20 30 ECEDMO CN(C)C(=O)C1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCCC1 ZINC000330772634 437611516 /nfs/dbraw/zinc/61/15/16/437611516.db2.gz WMWLBZCPUVRGLG-CQSZACIVSA-N 1 1 339.484 0.384 20 30 ECEDMO C[C@H](CNC(=O)N(C)CC(=O)N1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000329493773 289394584 /nfs/dbraw/zinc/39/45/84/289394584.db2.gz WQKWCNULCGRMIR-HUUCEWRRSA-N 1 1 340.468 0.811 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000072849457 436058856 /nfs/dbraw/zinc/05/88/56/436058856.db2.gz SRSTZSOXIQHFAJ-HNNXBMFYSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000072849457 436058863 /nfs/dbraw/zinc/05/88/63/436058863.db2.gz SRSTZSOXIQHFAJ-HNNXBMFYSA-N 1 1 329.404 0.323 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000025137385 436146240 /nfs/dbraw/zinc/14/62/40/436146240.db2.gz WQIIXOFXNXQSHW-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)N(C)CCC#N)CC2)CCO1 ZINC000075791266 436177051 /nfs/dbraw/zinc/17/70/51/436177051.db2.gz UEMKXJSZNCRPGK-ZDUSSCGKSA-N 1 1 330.454 0.262 20 30 ECEDMO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)N(C)CCC#N)CC2)CCO1 ZINC000075791266 436177052 /nfs/dbraw/zinc/17/70/52/436177052.db2.gz UEMKXJSZNCRPGK-ZDUSSCGKSA-N 1 1 330.454 0.262 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000086461298 436394382 /nfs/dbraw/zinc/39/43/82/436394382.db2.gz IMGQRZAKOMXZBT-CYBMUJFWSA-N 1 1 332.408 0.726 20 30 ECEDMO C#CCN(C(=O)NCC[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000091210565 436444633 /nfs/dbraw/zinc/44/46/33/436444633.db2.gz CUAMSAAFKYMRRS-OAHLLOKOSA-N 1 1 341.477 0.550 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943480 436421488 /nfs/dbraw/zinc/42/14/88/436421488.db2.gz KNZCLTBDGPXWSW-SNVBAGLBSA-N 1 1 333.396 0.128 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000108856943 436621286 /nfs/dbraw/zinc/62/12/86/436621286.db2.gz FJIBIPFRGBVDGC-UHFFFAOYSA-N 1 1 326.400 0.927 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000551064269 302353007 /nfs/dbraw/zinc/35/30/07/302353007.db2.gz UGBUFPWZRAKMDV-HNNXBMFYSA-N 1 1 341.415 0.640 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000120879227 436700796 /nfs/dbraw/zinc/70/07/96/436700796.db2.gz UBYJQMIEPQYRDW-CYBMUJFWSA-N 1 1 330.388 0.581 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000194714900 436670882 /nfs/dbraw/zinc/67/08/82/436670882.db2.gz OOAAQWNRSIEQHN-CQSZACIVSA-N 1 1 335.429 0.422 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)nn1CCC#N ZINC000270988662 436677674 /nfs/dbraw/zinc/67/76/74/436677674.db2.gz DCXRMIAHEMCVDJ-UHFFFAOYSA-N 1 1 346.435 0.844 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000067701537 436720795 /nfs/dbraw/zinc/72/07/95/436720795.db2.gz LFUSWHWYNVTZMT-UHFFFAOYSA-N 1 1 337.445 0.975 20 30 ECEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)N1CCOCC1 ZINC000128150894 436812271 /nfs/dbraw/zinc/81/22/71/436812271.db2.gz CVNCCRJFZUVGGS-UHFFFAOYSA-N 1 1 336.417 0.739 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)C1 ZINC000249525973 436822547 /nfs/dbraw/zinc/82/25/47/436822547.db2.gz YHQUSCGAIVSVJY-VYDXJSESSA-N 1 1 333.432 0.685 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N2CCS(=O)(=O)[C@H](C)C2)CC1 ZINC000125973581 436780076 /nfs/dbraw/zinc/78/00/76/436780076.db2.gz VISCKPJQRBYRLF-CYBMUJFWSA-N 1 1 329.466 0.855 20 30 ECEDMO C[C@H]1CCC[N@H+]1C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000154911276 436787211 /nfs/dbraw/zinc/78/72/11/436787211.db2.gz VTJYNCKYFBFOOA-LBPRGKRZSA-N 1 1 331.420 0.409 20 30 ECEDMO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000274653187 436854448 /nfs/dbraw/zinc/85/44/48/436854448.db2.gz NSTZTRLHRNUJHW-LRDDRELGSA-N 1 1 333.392 0.173 20 30 ECEDMO CCOC(=O)[C@@](C)(O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000274653187 436854451 /nfs/dbraw/zinc/85/44/51/436854451.db2.gz NSTZTRLHRNUJHW-LRDDRELGSA-N 1 1 333.392 0.173 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000249901035 436827667 /nfs/dbraw/zinc/82/76/67/436827667.db2.gz SZGCDQQFWFYXIU-OLZOCXBDSA-N 1 1 334.424 0.878 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000249901035 436827671 /nfs/dbraw/zinc/82/76/71/436827671.db2.gz SZGCDQQFWFYXIU-OLZOCXBDSA-N 1 1 334.424 0.878 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CSc1nnnn1C1CCCC1 ZINC000293848398 436913740 /nfs/dbraw/zinc/91/37/40/436913740.db2.gz AFPPLJGWAVVKNZ-UHFFFAOYSA-N 1 1 336.465 0.952 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000293901245 436918705 /nfs/dbraw/zinc/91/87/05/436918705.db2.gz FFQUPXFRLOWUMO-UHFFFAOYSA-N 1 1 342.399 0.423 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000293412653 436875428 /nfs/dbraw/zinc/87/54/28/436875428.db2.gz PICQWYUSYMDPQN-UHFFFAOYSA-N 1 1 344.415 0.446 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000293781607 436907834 /nfs/dbraw/zinc/90/78/34/436907834.db2.gz LUTKKPNUXARJLM-UHFFFAOYSA-N 1 1 343.474 0.618 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000293776003 436908362 /nfs/dbraw/zinc/90/83/62/436908362.db2.gz LKGZKKIEOKWQDH-UHFFFAOYSA-N 1 1 326.418 0.937 20 30 ECEDMO COCCOC[C@@H](O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000295003349 436962129 /nfs/dbraw/zinc/96/21/29/436962129.db2.gz RZIFMUCNLJFEQT-ROUUACIJSA-N 1 1 333.432 0.893 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000295150234 436963365 /nfs/dbraw/zinc/96/33/65/436963365.db2.gz LZFDUDGMMIPWIF-UHFFFAOYSA-N 1 1 325.438 0.812 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000294038467 436930388 /nfs/dbraw/zinc/93/03/88/436930388.db2.gz SFJYFAYTSTXMMB-UHFFFAOYSA-N 1 1 341.433 0.523 20 30 ECEDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC[C@H]21 ZINC000294080208 436932794 /nfs/dbraw/zinc/93/27/94/436932794.db2.gz LSJHHKZHKVVPSY-UONOGXRCSA-N 1 1 327.388 0.834 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000294107662 436934879 /nfs/dbraw/zinc/93/48/79/436934879.db2.gz YUMQVAQEOSKYHI-UHFFFAOYSA-N 1 1 333.388 0.244 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000294110143 436935141 /nfs/dbraw/zinc/93/51/41/436935141.db2.gz YYEOODWSRIFHBJ-UHFFFAOYSA-N 1 1 327.406 0.215 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000165481564 436936287 /nfs/dbraw/zinc/93/62/87/436936287.db2.gz OWFOFZBRHVQLRX-INIZCTEOSA-N 1 1 349.456 0.629 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000165481564 436936292 /nfs/dbraw/zinc/93/62/92/436936292.db2.gz OWFOFZBRHVQLRX-INIZCTEOSA-N 1 1 349.456 0.629 20 30 ECEDMO CCC[C@H]1CN(S(=O)(=O)N(C)CCC#N)CC[N@@H+]1CCOC ZINC000166041976 436938064 /nfs/dbraw/zinc/93/80/64/436938064.db2.gz ZLHJIKNVQOTQAY-AWEZNQCLSA-N 1 1 332.470 0.509 20 30 ECEDMO CCC[C@H]1CN(S(=O)(=O)N(C)CCC#N)CC[N@H+]1CCOC ZINC000166041976 436938068 /nfs/dbraw/zinc/93/80/68/436938068.db2.gz ZLHJIKNVQOTQAY-AWEZNQCLSA-N 1 1 332.470 0.509 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281227855 436956386 /nfs/dbraw/zinc/95/63/86/436956386.db2.gz OEDDAOFZTBQTNA-PBHICJAKSA-N 1 1 326.400 0.766 20 30 ECEDMO C#CCN(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000283605850 437030785 /nfs/dbraw/zinc/03/07/85/437030785.db2.gz MNFLWQJSWYYBSA-UHFFFAOYSA-N 1 1 329.400 0.591 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000283596717 437031047 /nfs/dbraw/zinc/03/10/47/437031047.db2.gz SOEZIWFILNEJBG-CYBMUJFWSA-N 1 1 344.437 0.579 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)CC1 ZINC000281612367 436984421 /nfs/dbraw/zinc/98/44/21/436984421.db2.gz MZAQRWNXCMLXHY-AWEZNQCLSA-N 1 1 328.420 0.730 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000275781150 437012189 /nfs/dbraw/zinc/01/21/89/437012189.db2.gz SUVMTOBDEFCAFV-UHFFFAOYSA-N 1 1 346.387 0.344 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000275781150 437012193 /nfs/dbraw/zinc/01/21/93/437012193.db2.gz SUVMTOBDEFCAFV-UHFFFAOYSA-N 1 1 346.387 0.344 20 30 ECEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000264795256 437085161 /nfs/dbraw/zinc/08/51/61/437085161.db2.gz SDNSRIXZDZNTLU-VCHHOEMESA-N 1 1 337.424 0.542 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)CC1 ZINC000299724208 437105814 /nfs/dbraw/zinc/10/58/14/437105814.db2.gz ZBRMDIKPVNTHKL-RMKNXTFCSA-N 1 1 341.411 0.731 20 30 ECEDMO Cc1cc(N2CCC(NC(=O)N3CCO[C@@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC000176892723 437161485 /nfs/dbraw/zinc/16/14/85/437161485.db2.gz AYROPWPVHGNIKY-HNNXBMFYSA-N 1 1 344.419 0.996 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000286655277 437114053 /nfs/dbraw/zinc/11/40/53/437114053.db2.gz NPVWRTBBUFNGFS-AWEZNQCLSA-N 1 1 331.420 0.670 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000332054590 437202006 /nfs/dbraw/zinc/20/20/06/437202006.db2.gz WYAMNCVVMMYMSR-SWLSCSKDSA-N 1 1 327.450 0.879 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000332054590 437202007 /nfs/dbraw/zinc/20/20/07/437202007.db2.gz WYAMNCVVMMYMSR-SWLSCSKDSA-N 1 1 327.450 0.879 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](O)[C@@H]3C)CC2)o1 ZINC000332314452 437211534 /nfs/dbraw/zinc/21/15/34/437211534.db2.gz OTHXWLXQGMRQQD-SWLSCSKDSA-N 1 1 347.419 0.349 20 30 ECEDMO CC1(C#N)CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000333325234 437266486 /nfs/dbraw/zinc/26/64/86/437266486.db2.gz XQJQZOWDDGNAFT-AWEZNQCLSA-N 1 1 334.420 0.072 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000328825060 437268352 /nfs/dbraw/zinc/26/83/52/437268352.db2.gz RRZPQJWCOQDPHO-WOSRLPQWSA-N 1 1 349.435 0.617 20 30 ECEDMO Cn1cc(CNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000328826798 437268426 /nfs/dbraw/zinc/26/84/26/437268426.db2.gz SJDNWKILTHCFKT-UHFFFAOYSA-N 1 1 348.451 0.320 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)C(C)(C)S(=O)(=O)C2CC2)CC1 ZINC000328822029 437269448 /nfs/dbraw/zinc/26/94/48/437269448.db2.gz QRAJXRMXMUTDKB-UHFFFAOYSA-N 1 1 345.465 0.463 20 30 ECEDMO CCS(=O)(=O)NCCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000178899927 437237971 /nfs/dbraw/zinc/23/79/71/437237971.db2.gz UQLVSJFOXXBTRU-UHFFFAOYSA-N 1 1 337.449 0.405 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000328650920 437245893 /nfs/dbraw/zinc/24/58/93/437245893.db2.gz JICQWKMOQPHSSQ-OLZOCXBDSA-N 1 1 332.470 0.241 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277799809 437256359 /nfs/dbraw/zinc/25/63/59/437256359.db2.gz KNMFKRGFJPNTDP-JKSUJKDBSA-N 1 1 326.400 0.870 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277799809 437256361 /nfs/dbraw/zinc/25/63/61/437256361.db2.gz KNMFKRGFJPNTDP-JKSUJKDBSA-N 1 1 326.400 0.870 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000328765756 437262022 /nfs/dbraw/zinc/26/20/22/437262022.db2.gz APHLQEFCVCLMKM-DYEKYZERSA-N 1 1 344.481 0.254 20 30 ECEDMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000336905393 437308589 /nfs/dbraw/zinc/30/85/89/437308589.db2.gz DSMDFACNZVSNBX-UONOGXRCSA-N 1 1 344.481 0.556 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000336912187 437309343 /nfs/dbraw/zinc/30/93/43/437309343.db2.gz YPJSGUZTXFPQLD-UHFFFAOYSA-N 1 1 330.454 0.335 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329123721 437320829 /nfs/dbraw/zinc/32/08/29/437320829.db2.gz LMRGWUDCSYVCRG-KRWDZBQOSA-N 1 1 349.435 0.555 20 30 ECEDMO Cc1[nH+]ccn1CC[NH+]=C([O-])N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329123721 437320837 /nfs/dbraw/zinc/32/08/37/437320837.db2.gz LMRGWUDCSYVCRG-KRWDZBQOSA-N 1 1 349.435 0.555 20 30 ECEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(CC#N)CC1 ZINC000333434747 437271035 /nfs/dbraw/zinc/27/10/35/437271035.db2.gz KQPHQTZNTRWKDX-UHFFFAOYSA-N 1 1 327.392 0.504 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000328840516 437271448 /nfs/dbraw/zinc/27/14/48/437271448.db2.gz UMYMAYYHRGBIHQ-ZIAGYGMSSA-N 1 1 325.457 0.089 20 30 ECEDMO C[C@H](NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1cn[nH]c1 ZINC000328878781 437277193 /nfs/dbraw/zinc/27/71/93/437277193.db2.gz UUCOIJZPJYQZRL-ZDUSSCGKSA-N 1 1 348.451 0.871 20 30 ECEDMO C[C@H](C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCSCC1 ZINC000329005447 437301810 /nfs/dbraw/zinc/30/18/10/437301810.db2.gz XGQFMPRULIMXIO-NEPJUHHUSA-N 1 1 335.495 0.804 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CCCS(=O)(=O)C2)CCSC1 ZINC000329252658 437340656 /nfs/dbraw/zinc/34/06/56/437340656.db2.gz YSTJWTDBCLLINW-OCCSQVGLSA-N 1 1 349.522 0.752 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCn1ncc(=O)c2ccccc21 ZINC000329376337 437359291 /nfs/dbraw/zinc/35/92/91/437359291.db2.gz OFGXAQLIPWWPPV-AWEZNQCLSA-N 1 1 343.431 0.989 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 ZINC000329408936 437366004 /nfs/dbraw/zinc/36/60/04/437366004.db2.gz BCMBYKLQILECLQ-ZDUSSCGKSA-N 1 1 338.452 0.300 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCOc2cc(O)ccc2C1 ZINC000329429677 437367827 /nfs/dbraw/zinc/36/78/27/437367827.db2.gz JWXOWQVZXJINTE-CQSZACIVSA-N 1 1 334.420 0.746 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCn1nc2ccccn2c1=O ZINC000329447518 437369520 /nfs/dbraw/zinc/36/95/20/437369520.db2.gz MFFHUIOOEAOQLX-CYBMUJFWSA-N 1 1 332.408 0.088 20 30 ECEDMO C[C@@H]1C[C@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000329132515 437323274 /nfs/dbraw/zinc/32/32/74/437323274.db2.gz YKWNYNZSEGEFOV-ZIAGYGMSSA-N 1 1 326.441 0.469 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000337064647 437325601 /nfs/dbraw/zinc/32/56/01/437325601.db2.gz JMUUTZIMAQYMQI-AWEZNQCLSA-N 1 1 332.470 0.293 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000337070614 437326556 /nfs/dbraw/zinc/32/65/56/437326556.db2.gz OCYOXQOXXROOBF-HUUCEWRRSA-N 1 1 346.497 0.539 20 30 ECEDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000337102591 437333574 /nfs/dbraw/zinc/33/35/74/437333574.db2.gz XFLPDFLNPJDBCO-KBPBESRZSA-N 1 1 330.454 0.262 20 30 ECEDMO CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000329207568 437335338 /nfs/dbraw/zinc/33/53/38/437335338.db2.gz XSQYCGHZKNRRBG-SOUVJXGZSA-N 1 1 338.452 0.705 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329226391 437336334 /nfs/dbraw/zinc/33/63/34/437336334.db2.gz HIVAZJBVAHZNRM-OLZOCXBDSA-N 1 1 344.481 0.541 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000337162885 437338100 /nfs/dbraw/zinc/33/81/00/437338100.db2.gz WDXPLORAKJLAGH-LSDHHAIUSA-N 1 1 346.497 0.803 20 30 ECEDMO Cn1ccnc(N2CCC[C@@H](NC(=O)NC[C@H]3CCC[N@H+]3C)C2)c1=O ZINC000329236200 437339309 /nfs/dbraw/zinc/33/93/09/437339309.db2.gz OBWFNZBGWBQWIQ-ZIAGYGMSSA-N 1 1 348.451 0.347 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)C1 ZINC000329707433 437402823 /nfs/dbraw/zinc/40/28/23/437402823.db2.gz KMUWTGBCEKQLGH-OWCLPIDISA-N 1 1 340.468 0.416 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000329797948 437414777 /nfs/dbraw/zinc/41/47/77/437414777.db2.gz GAICFVWVJFYBJN-MCIONIFRSA-N 1 1 348.451 0.870 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000329797948 437414780 /nfs/dbraw/zinc/41/47/80/437414780.db2.gz GAICFVWVJFYBJN-MCIONIFRSA-N 1 1 348.451 0.870 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000329797948 437414784 /nfs/dbraw/zinc/41/47/84/437414784.db2.gz GAICFVWVJFYBJN-MCIONIFRSA-N 1 1 348.451 0.870 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000329797948 437414787 /nfs/dbraw/zinc/41/47/87/437414787.db2.gz GAICFVWVJFYBJN-MCIONIFRSA-N 1 1 348.451 0.870 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000329797948 437414791 /nfs/dbraw/zinc/41/47/91/437414791.db2.gz GAICFVWVJFYBJN-MCIONIFRSA-N 1 1 348.451 0.870 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000337856986 437382457 /nfs/dbraw/zinc/38/24/57/437382457.db2.gz ZINPXFPSGLDHPR-ZDUSSCGKSA-N 1 1 331.486 0.081 20 30 ECEDMO CN1CCN(CC(=O)NCC[N@@H+]2CCc3sccc3C2)CC1=O ZINC000329606384 437388995 /nfs/dbraw/zinc/38/89/95/437388995.db2.gz MKRFYECCJDJYIL-UHFFFAOYSA-N 1 1 336.461 0.837 20 30 ECEDMO CN1CCN(CC(=O)NCC[N@H+]2CCc3sccc3C2)CC1=O ZINC000329606384 437388998 /nfs/dbraw/zinc/38/89/98/437388998.db2.gz MKRFYECCJDJYIL-UHFFFAOYSA-N 1 1 336.461 0.837 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000279335282 437394814 /nfs/dbraw/zinc/39/48/14/437394814.db2.gz RBKQXTLEOIYQKL-BETUJISGSA-N 1 1 328.372 0.525 20 30 ECEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000329697063 437401783 /nfs/dbraw/zinc/40/17/83/437401783.db2.gz DYAFMIHSHBEQDI-KGLIPLIRSA-N 1 1 331.482 0.999 20 30 ECEDMO CC(C)[N@@H+]1CCCN([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330261619 437476324 /nfs/dbraw/zinc/47/63/24/437476324.db2.gz UIZRLKUOGNVWDK-ZIAGYGMSSA-N 1 1 331.482 0.935 20 30 ECEDMO CC(C)[N@H+]1CCCN([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330261619 437476325 /nfs/dbraw/zinc/47/63/25/437476325.db2.gz UIZRLKUOGNVWDK-ZIAGYGMSSA-N 1 1 331.482 0.935 20 30 ECEDMO C[C@H](CC[NH+]1CCN(C)CC1)NC([O-])=[NH+][C@@H]1CCc2ncnn2C1 ZINC000329933084 437433363 /nfs/dbraw/zinc/43/33/63/437433363.db2.gz PWDFZMNDQHFKNU-ZIAGYGMSSA-N 1 1 335.456 0.123 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339027264 437436103 /nfs/dbraw/zinc/43/61/03/437436103.db2.gz KVFVAUIOQDUEBA-HNNXBMFYSA-N 1 1 344.481 0.511 20 30 ECEDMO CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000329973255 437439396 /nfs/dbraw/zinc/43/93/96/437439396.db2.gz WRKGOQADJPQBFM-GFCCVEGCSA-N 1 1 332.470 0.350 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000339199446 437447321 /nfs/dbraw/zinc/44/73/21/437447321.db2.gz PLZZIUOQCAQXBV-UHFFFAOYSA-N 1 1 329.404 0.297 20 30 ECEDMO CC(=O)N1CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330048674 437448087 /nfs/dbraw/zinc/44/80/87/437448087.db2.gz ITQCRPOZIMGPIL-LSDHHAIUSA-N 1 1 339.484 0.337 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330374019 437493197 /nfs/dbraw/zinc/49/31/97/437493197.db2.gz MGRFJGPRZXIMGC-KGLIPLIRSA-N 1 1 330.454 0.310 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)C1=O ZINC000330384418 437497720 /nfs/dbraw/zinc/49/77/20/437497720.db2.gz KLVGUGXAUKARSY-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C[N@H+](C)CCCC)C1=O ZINC000290553181 437498965 /nfs/dbraw/zinc/49/89/65/437498965.db2.gz JMBVPKSMXIHFCN-GFCCVEGCSA-N 1 1 338.408 0.200 20 30 ECEDMO CNC(=O)[C@@H]1CCCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000330436471 437511731 /nfs/dbraw/zinc/51/17/31/437511731.db2.gz RBGATCLIRAUTMB-OLZOCXBDSA-N 1 1 339.440 0.748 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NCCCCC#N)CC2)CCO1 ZINC000343146342 437515068 /nfs/dbraw/zinc/51/50/68/437515068.db2.gz YYCDPMIHDVNTBX-CQSZACIVSA-N 1 1 336.436 0.508 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)N2CCC(C(=O)NCCCO)CC2)C1 ZINC000330481280 437527269 /nfs/dbraw/zinc/52/72/69/437527269.db2.gz PFKLBWURHBTSFR-HNNXBMFYSA-N 1 1 340.468 0.595 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000330546002 437547763 /nfs/dbraw/zinc/54/77/63/437547763.db2.gz BYNGNKYOFJRTLE-ZJOBFFGXSA-N 1 1 339.436 0.843 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000330695849 437590922 /nfs/dbraw/zinc/59/09/22/437590922.db2.gz JITZVFXHVMZRAJ-AWEZNQCLSA-N 1 1 326.441 0.421 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000343737047 437642700 /nfs/dbraw/zinc/64/27/00/437642700.db2.gz HOQQCCURMGKECR-WBVHZDCISA-N 1 1 348.491 0.696 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC000330972598 437661580 /nfs/dbraw/zinc/66/15/80/437661580.db2.gz HXUKRXOURFFTQA-ZIAGYGMSSA-N 1 1 341.456 0.410 20 30 ECEDMO CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000355136512 437675191 /nfs/dbraw/zinc/67/51/91/437675191.db2.gz PCWIXPHZGYUXSY-HNNXBMFYSA-N 1 1 326.400 0.870 20 30 ECEDMO CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@@H](NC(=O)NC)C2)CC1 ZINC000331165371 437703946 /nfs/dbraw/zinc/70/39/46/437703946.db2.gz GQLCDQQWFMIOHI-MFOWVQHXSA-N 1 1 327.425 0.679 20 30 ECEDMO C=CCCCCC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000193300381 437705557 /nfs/dbraw/zinc/70/55/57/437705557.db2.gz YXPNUYTWMINDIT-UHFFFAOYSA-N 1 1 331.482 0.927 20 30 ECEDMO CC1(C#N)CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000355764955 437730817 /nfs/dbraw/zinc/73/08/17/437730817.db2.gz IIMGDZMRWBVZSJ-CQSZACIVSA-N 1 1 335.452 0.909 20 30 ECEDMO C[C@H](O)C[C@H]1COCCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331280585 437731972 /nfs/dbraw/zinc/73/19/72/437731972.db2.gz UHBADWFVDFOCTH-GJZGRUSLSA-N 1 1 342.484 0.398 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCC[N@H+]1C ZINC000344434872 437754144 /nfs/dbraw/zinc/75/41/44/437754144.db2.gz UVJRHWLITXXWSX-DGCLKSJQSA-N 1 1 346.435 1.047 20 30 ECEDMO CC(C)(O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000370415641 437780280 /nfs/dbraw/zinc/78/02/80/437780280.db2.gz UYJTVEWFQRSRMH-UHFFFAOYSA-N 1 1 344.415 0.802 20 30 ECEDMO N#CCCn1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000370603960 437810652 /nfs/dbraw/zinc/81/06/52/437810652.db2.gz NDTCKEGNUIEQRC-LSDHHAIUSA-N 1 1 346.435 1.562 20 30 ECEDMO COCC1(C#N)CC[NH+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000341994036 437934174 /nfs/dbraw/zinc/93/41/74/437934174.db2.gz RSOAVEWOZRSKGZ-CQSZACIVSA-N 1 1 336.436 0.318 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341842424 437908492 /nfs/dbraw/zinc/90/84/92/437908492.db2.gz QDENXDFVRLAWKP-UONOGXRCSA-N 1 1 326.441 0.058 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000416492717 437943636 /nfs/dbraw/zinc/94/36/36/437943636.db2.gz BDDMCWBFFDOROY-ZDUSSCGKSA-N 1 1 337.445 0.832 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000416551224 437958806 /nfs/dbraw/zinc/95/88/06/437958806.db2.gz GFIJJGMIIZZVIY-CQSZACIVSA-N 1 1 332.470 0.415 20 30 ECEDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C[C@H]2C1 ZINC000365939123 437991917 /nfs/dbraw/zinc/99/19/17/437991917.db2.gz ZRRAMYJPFLVRET-GASCZTMLSA-N 1 1 336.399 0.960 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000425908813 438046624 /nfs/dbraw/zinc/04/66/24/438046624.db2.gz KJSSSOGHIDCANV-JYJNAYRXSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000425887361 438047092 /nfs/dbraw/zinc/04/70/92/438047092.db2.gz ASIRAIFWJGBOIX-VGWMRTNUSA-N 1 1 335.448 0.636 20 30 ECEDMO CN1CCN(C(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)C[C@H]1C#N ZINC000372189401 438048323 /nfs/dbraw/zinc/04/83/23/438048323.db2.gz XRZQIDJNRYAFHB-RDTXWAMCSA-N 1 1 328.416 0.892 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000430403724 438110804 /nfs/dbraw/zinc/11/08/04/438110804.db2.gz VNOFTHOJICEFQV-WCVJEAGWSA-N 1 1 337.464 0.882 20 30 ECEDMO CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CCN2C1=O ZINC000373243948 438138337 /nfs/dbraw/zinc/13/83/37/438138337.db2.gz JUBSJTHFWXWFMY-OAHLLOKOSA-N 1 1 327.388 0.938 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000358124551 438159261 /nfs/dbraw/zinc/15/92/61/438159261.db2.gz NUVWVDWAGHJZAZ-HNNXBMFYSA-N 1 1 336.779 0.333 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000367130935 438169702 /nfs/dbraw/zinc/16/97/02/438169702.db2.gz LITYDLWUIFSGLM-QLFBSQMISA-N 1 1 344.481 0.244 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000349746772 438173604 /nfs/dbraw/zinc/17/36/04/438173604.db2.gz PYMZNTRCODLYDX-IRXDYDNUSA-N 1 1 325.416 0.603 20 30 ECEDMO CN(C(=O)NCC(=O)NCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000367582089 438225329 /nfs/dbraw/zinc/22/53/29/438225329.db2.gz ZMMBUGQFUDWPFE-MRXNPFEDSA-N 1 1 343.431 0.932 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000418968585 438268161 /nfs/dbraw/zinc/26/81/61/438268161.db2.gz CFLIEGAKYQLISL-AWEZNQCLSA-N 1 1 329.404 0.611 20 30 ECEDMO C[N@H+]1CC[C@H](CNC(=O)NCC(=O)NCC#N)[C@@H]1c1cccs1 ZINC000376328915 438279355 /nfs/dbraw/zinc/27/93/55/438279355.db2.gz WZTQZNORUPPZIL-BXUZGUMPSA-N 1 1 335.433 0.680 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000367793080 438249913 /nfs/dbraw/zinc/24/99/13/438249913.db2.gz PIXHXDNGMALEGB-KBPBESRZSA-N 1 1 329.466 0.713 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000358558458 438253398 /nfs/dbraw/zinc/25/33/98/438253398.db2.gz IYPALOOPNAXYOW-UHFFFAOYSA-N 1 1 332.404 0.211 20 30 ECEDMO N#CCNC(=O)CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000377030940 438300842 /nfs/dbraw/zinc/30/08/42/438300842.db2.gz ITLWYWIYJNKNAC-UHFFFAOYSA-N 1 1 335.452 0.924 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000434711489 438317667 /nfs/dbraw/zinc/31/76/67/438317667.db2.gz PDUYLTIONZZUNK-MRXNPFEDSA-N 1 1 336.436 0.100 20 30 ECEDMO N#C[C@H]1C[N@H+](CC2(O)CCOCC2)C[C@]12C(=O)Nc1ccccc12 ZINC000378261701 438370076 /nfs/dbraw/zinc/37/00/76/438370076.db2.gz UITHKVUMXRARQL-UGSOOPFHSA-N 1 1 327.384 0.873 20 30 ECEDMO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000435770830 438385283 /nfs/dbraw/zinc/38/52/83/438385283.db2.gz QZLXIERKFWOARI-AWEZNQCLSA-N 1 1 347.444 0.967 20 30 ECEDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000435770830 438385288 /nfs/dbraw/zinc/38/52/88/438385288.db2.gz QZLXIERKFWOARI-AWEZNQCLSA-N 1 1 347.444 0.967 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352544314 438437281 /nfs/dbraw/zinc/43/72/81/438437281.db2.gz PYWGDMQVQMMBHV-ZIAGYGMSSA-N 1 1 344.481 0.350 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352544314 438437289 /nfs/dbraw/zinc/43/72/89/438437289.db2.gz PYWGDMQVQMMBHV-ZIAGYGMSSA-N 1 1 344.481 0.350 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352563099 438443762 /nfs/dbraw/zinc/44/37/62/438443762.db2.gz OMCZZFILXKCZDY-CQSZACIVSA-N 1 1 344.481 0.352 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1C#N ZINC000368965683 438404797 /nfs/dbraw/zinc/40/47/97/438404797.db2.gz VBYXNMLDWORVOW-AWEZNQCLSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000378634009 438408818 /nfs/dbraw/zinc/40/88/18/438408818.db2.gz BHKRKNDYFMBKNE-ZIAGYGMSSA-N 1 1 329.466 0.713 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000437993218 438462766 /nfs/dbraw/zinc/46/27/66/438462766.db2.gz DGAMQDZTGXNOTN-GOEBONIOSA-N 1 1 338.452 0.431 20 30 ECEDMO CN1C(=O)[C@@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CCN2C1=O ZINC000369439996 438473673 /nfs/dbraw/zinc/47/36/73/438473673.db2.gz POSPPILFJNRCSS-HNNXBMFYSA-N 1 1 328.372 0.905 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2COC[C@@H]2O)c(OC)c1 ZINC000352791446 438477559 /nfs/dbraw/zinc/47/75/59/438477559.db2.gz IBAQGLJORRHMEF-PMPSAXMXSA-N 1 1 337.416 0.855 20 30 ECEDMO COCC[NH+](CCOC)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000352884129 438487386 /nfs/dbraw/zinc/48/73/86/438487386.db2.gz LCNXHOJFKHEQQK-INIZCTEOSA-N 1 1 340.468 0.274 20 30 ECEDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352889411 438487786 /nfs/dbraw/zinc/48/77/86/438487786.db2.gz YNFMWGJFWMNJQP-XOKHGSTOSA-N 1 1 328.416 0.880 20 30 ECEDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352889411 438487791 /nfs/dbraw/zinc/48/77/91/438487791.db2.gz YNFMWGJFWMNJQP-XOKHGSTOSA-N 1 1 328.416 0.880 20 30 ECEDMO CCN(CCC#N)C(=O)CN1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000369331756 438454333 /nfs/dbraw/zinc/45/43/33/438454333.db2.gz YRBCBGJRIQGSIF-UHFFFAOYSA-N 1 1 349.479 0.554 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)cn1 ZINC000369365217 438459214 /nfs/dbraw/zinc/45/92/14/438459214.db2.gz ZAUJJUSJBRYRGG-UHFFFAOYSA-N 1 1 341.415 0.770 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000370091310 438550100 /nfs/dbraw/zinc/55/01/00/438550100.db2.gz BFBQEBYKBFKGDU-BRWVUGGUSA-N 1 1 337.464 0.490 20 30 ECEDMO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000441265420 438581055 /nfs/dbraw/zinc/58/10/55/438581055.db2.gz MNHNYMSZVOVDBT-KRWDZBQOSA-N 1 1 345.399 0.420 20 30 ECEDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000442298681 438603907 /nfs/dbraw/zinc/60/39/07/438603907.db2.gz GJUOKOSEHHBGRE-NWDGAFQWSA-N 1 1 346.435 0.999 20 30 ECEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000442298681 438603910 /nfs/dbraw/zinc/60/39/10/438603910.db2.gz GJUOKOSEHHBGRE-NWDGAFQWSA-N 1 1 346.435 0.999 20 30 ECEDMO C[N@H+]1CCN(CCNS(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000443089368 438641672 /nfs/dbraw/zinc/64/16/72/438641672.db2.gz CXQOZFQTRPRFLL-UHFFFAOYSA-N 1 1 336.461 0.863 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000447395081 438676408 /nfs/dbraw/zinc/67/64/08/438676408.db2.gz RNDGUQNTNPPEQR-LXZKKBNFSA-N 1 1 339.436 0.141 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000447395081 438676412 /nfs/dbraw/zinc/67/64/12/438676412.db2.gz RNDGUQNTNPPEQR-LXZKKBNFSA-N 1 1 339.436 0.141 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411966442 438683585 /nfs/dbraw/zinc/68/35/85/438683585.db2.gz BOVLAYIAMIKXOO-YUELXQCFSA-N 1 1 344.415 0.588 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451394909 438698449 /nfs/dbraw/zinc/69/84/49/438698449.db2.gz CNTAXHAMZBBHBM-CQSZACIVSA-N 1 1 343.836 0.751 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CNc2cccc(C#N)c2)CC1 ZINC000494980886 438714927 /nfs/dbraw/zinc/71/49/27/438714927.db2.gz PTVUKRLQAFQPBQ-UHFFFAOYSA-N 1 1 343.431 0.639 20 30 ECEDMO CC(C)N1CC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1=O ZINC000574869074 438725474 /nfs/dbraw/zinc/72/54/74/438725474.db2.gz MBYJLUGCGCEDLE-OAHLLOKOSA-N 1 1 335.429 0.931 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000553356440 438750192 /nfs/dbraw/zinc/75/01/92/438750192.db2.gz WQENDULBAWWEOY-MRXNPFEDSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000553356440 438750194 /nfs/dbraw/zinc/75/01/94/438750194.db2.gz WQENDULBAWWEOY-MRXNPFEDSA-N 1 1 329.404 0.323 20 30 ECEDMO CC(C)C[N@H+]1CCCC[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000558561370 438813878 /nfs/dbraw/zinc/81/38/78/438813878.db2.gz CZKPKTLYYZJIGN-LSDHHAIUSA-N 1 1 344.481 0.556 20 30 ECEDMO C[C@@H]1COCC[N@H+]1C1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000559639626 438836140 /nfs/dbraw/zinc/83/61/40/438836140.db2.gz MJOCGBASJPJJNG-KDOFPFPSSA-N 1 1 334.464 0.980 20 30 ECEDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 ZINC000514995744 438843559 /nfs/dbraw/zinc/84/35/59/438843559.db2.gz OKWSYFZPKSEGJL-AWEZNQCLSA-N 1 1 346.435 0.986 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000595759396 438856142 /nfs/dbraw/zinc/85/61/42/438856142.db2.gz PJJKLBUPEQEIOU-XYJFISCASA-N 1 1 334.464 0.647 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(O)(CO)CC3)C2=O)cc1 ZINC000595732843 438852148 /nfs/dbraw/zinc/85/21/48/438852148.db2.gz PFJPRBPQJZZCGT-MRXNPFEDSA-N 1 1 329.400 0.873 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590279229 438905262 /nfs/dbraw/zinc/90/52/62/438905262.db2.gz AOFRLLZJOGHEKO-GXTWGEPZSA-N 1 1 328.372 0.668 20 30 ECEDMO C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000589139396 438857540 /nfs/dbraw/zinc/85/75/40/438857540.db2.gz YFGQZCCHCSLGEO-XJKSGUPXSA-N 1 1 344.415 0.352 20 30 ECEDMO C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000589139396 438857544 /nfs/dbraw/zinc/85/75/44/438857544.db2.gz YFGQZCCHCSLGEO-XJKSGUPXSA-N 1 1 344.415 0.352 20 30 ECEDMO Cn1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c(=O)n(C)c1=O ZINC000589210638 438862209 /nfs/dbraw/zinc/86/22/09/438862209.db2.gz WFSSXDNKRBQSIS-UHFFFAOYSA-N 1 1 342.399 0.604 20 30 ECEDMO CN(CCC#N)C[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000578006807 438888259 /nfs/dbraw/zinc/88/82/59/438888259.db2.gz UEWGHRBRFJDOFJ-KZNAEPCWSA-N 1 1 338.496 0.550 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000590604114 438940750 /nfs/dbraw/zinc/94/07/50/438940750.db2.gz XGFPFTVZXGGHMY-RTBURBONSA-N 1 1 346.475 0.808 20 30 ECEDMO C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1CCN(CC#N)CC1 ZINC000596275216 438948776 /nfs/dbraw/zinc/94/87/76/438948776.db2.gz LVYYGQLIDGJXQS-HNNXBMFYSA-N 1 1 338.500 0.546 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459261297 438955199 /nfs/dbraw/zinc/95/51/99/438955199.db2.gz RDRMZFRCHOYXAT-CQSZACIVSA-N 1 1 335.452 0.874 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](CO)[C@H](O)C2)c1 ZINC000459700253 438990706 /nfs/dbraw/zinc/99/07/06/438990706.db2.gz NQNRHLPKVXVHPJ-NVXWUHKLSA-N 1 1 331.416 0.835 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1 ZINC000459700253 438990708 /nfs/dbraw/zinc/99/07/08/438990708.db2.gz NQNRHLPKVXVHPJ-NVXWUHKLSA-N 1 1 331.416 0.835 20 30 ECEDMO N#Cc1cccc(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1 ZINC000591272249 438994962 /nfs/dbraw/zinc/99/49/62/438994962.db2.gz PDBDYZSRVSNWTH-UHFFFAOYSA-N 1 1 349.416 0.009 20 30 ECEDMO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1C#N ZINC000566024502 438998194 /nfs/dbraw/zinc/99/81/94/438998194.db2.gz ZDADIVAVGZDPDH-SNVBAGLBSA-N 1 1 327.392 1.215 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)C[NH+]1CCOCC1 ZINC000602024567 438999676 /nfs/dbraw/zinc/99/96/76/438999676.db2.gz BIRDPHNMNJSYLL-GFCCVEGCSA-N 1 1 348.378 0.720 20 30 ECEDMO CCN(C(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000597257915 439063929 /nfs/dbraw/zinc/06/39/29/439063929.db2.gz JTRIGPSZNGCLJY-OAHLLOKOSA-N 1 1 335.452 0.033 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602241668 439046133 /nfs/dbraw/zinc/04/61/33/439046133.db2.gz JIFKPIAURBFHJS-OAHLLOKOSA-N 1 1 335.452 0.035 20 30 ECEDMO COCCOCC[N@@H+](C)CCC(=O)NC1(C#N)CCSCC1 ZINC000602126748 439016638 /nfs/dbraw/zinc/01/66/38/439016638.db2.gz QQMKCYXKQDPQEF-UHFFFAOYSA-N 1 1 329.466 0.877 20 30 ECEDMO N#CCCN1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602207632 439039759 /nfs/dbraw/zinc/03/97/59/439039759.db2.gz BVVJMRZSOXCGRK-IBGZPJMESA-N 1 1 342.443 0.681 20 30 ECEDMO C[C@@H](CCC#N)C[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000602442456 439087033 /nfs/dbraw/zinc/08/70/33/439087033.db2.gz YVRRYKMEVJNHDC-AWEZNQCLSA-N 1 1 330.454 0.121 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000580568541 439106029 /nfs/dbraw/zinc/10/60/29/439106029.db2.gz JJNZDPCUGQWBHL-CQSZACIVSA-N 1 1 345.403 0.427 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(c3ccc(C#N)c(N)n3)CC2)CC1 ZINC000566688770 439083117 /nfs/dbraw/zinc/08/31/17/439083117.db2.gz JREAKGFVHYXFSY-UHFFFAOYSA-N 1 1 328.420 0.526 20 30 ECEDMO CS(=O)(=O)N(CC[N@@H+]1CC[C@](O)(CC#N)C1)Cc1ccccc1 ZINC000592153691 439166505 /nfs/dbraw/zinc/16/65/05/439166505.db2.gz NVISOZRLGGPUMI-MRXNPFEDSA-N 1 1 337.445 0.799 20 30 ECEDMO CS(=O)(=O)N(CC[N@H+]1CC[C@](O)(CC#N)C1)Cc1ccccc1 ZINC000592153691 439166511 /nfs/dbraw/zinc/16/65/11/439166511.db2.gz NVISOZRLGGPUMI-MRXNPFEDSA-N 1 1 337.445 0.799 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@](O)(CC#N)C3)C2)CC1 ZINC000591960051 439122602 /nfs/dbraw/zinc/12/26/02/439122602.db2.gz RPKMCLMPCBIXLG-YOEHRIQHSA-N 1 1 335.452 0.215 20 30 ECEDMO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@@](O)(CC#N)C3)C2)CC1 ZINC000591960051 439122605 /nfs/dbraw/zinc/12/26/05/439122605.db2.gz RPKMCLMPCBIXLG-YOEHRIQHSA-N 1 1 335.452 0.215 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[C@@](O)(CC#N)C2)CC1 ZINC000591968227 439124765 /nfs/dbraw/zinc/12/47/65/439124765.db2.gz PGEZRGPXZVICTM-RDJZCZTQSA-N 1 1 337.468 0.320 20 30 ECEDMO N#CC[C@]1(O)CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000591985917 439126853 /nfs/dbraw/zinc/12/68/53/439126853.db2.gz PURBOHJJDLTKTI-UXLLHSPISA-N 1 1 336.436 0.690 20 30 ECEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000597626998 439143789 /nfs/dbraw/zinc/14/37/89/439143789.db2.gz WFMAJVIQYUTLQR-ZWKOTPCHSA-N 1 1 337.427 0.747 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](Cn3ccnn3)C2)c1 ZINC000602910346 439157472 /nfs/dbraw/zinc/15/74/72/439157472.db2.gz XEOWGEWNMWPOLE-MRXNPFEDSA-N 1 1 340.387 0.879 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](Cn3ccnn3)C2)c1 ZINC000602910346 439157476 /nfs/dbraw/zinc/15/74/76/439157476.db2.gz XEOWGEWNMWPOLE-MRXNPFEDSA-N 1 1 340.387 0.879 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000592210033 439186665 /nfs/dbraw/zinc/18/66/65/439186665.db2.gz UITULSJYCBOHCO-OAGGEKHMSA-N 1 1 348.399 0.348 20 30 ECEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(C#N)n2)C1 ZINC000592289690 439192277 /nfs/dbraw/zinc/19/22/77/439192277.db2.gz QKWFDQPPHZDIHO-JSGCOSHPSA-N 1 1 327.388 0.834 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603130621 439195241 /nfs/dbraw/zinc/19/52/41/439195241.db2.gz RPKXYNVQHLMCMS-HNNXBMFYSA-N 1 1 342.403 0.724 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(CCC#N)nn2)C1 ZINC000603185316 439205621 /nfs/dbraw/zinc/20/56/21/439205621.db2.gz FUODZBYVFCTWDE-OAHLLOKOSA-N 1 1 334.424 0.207 20 30 ECEDMO Cc1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc(C#N)n1 ZINC000603423926 439259018 /nfs/dbraw/zinc/25/90/18/439259018.db2.gz RJNJGCKLEQIZRV-MRXNPFEDSA-N 1 1 329.448 0.892 20 30 ECEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CCC1 ZINC000527377799 439267816 /nfs/dbraw/zinc/26/78/16/439267816.db2.gz HPHLUHSEDLAAHQ-AWEZNQCLSA-N 1 1 334.420 0.120 20 30 ECEDMO C[C@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCN1c1nccn2cnnc12 ZINC000598597763 439284694 /nfs/dbraw/zinc/28/46/94/439284694.db2.gz HQSMRHDMHXGBKU-UONOGXRCSA-N 1 1 343.435 0.936 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1N(C)C(C)=O ZINC000491072725 439330588 /nfs/dbraw/zinc/33/05/88/439330588.db2.gz VGKSSRXZMNZHGJ-UHFFFAOYSA-N 1 1 344.415 0.679 20 30 ECEDMO N#CCNC(=O)CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000593066932 439336387 /nfs/dbraw/zinc/33/63/87/439336387.db2.gz ISUFEBXFASFBFC-IAGOWNOFSA-N 1 1 328.416 0.601 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC000491127902 439337171 /nfs/dbraw/zinc/33/71/71/439337171.db2.gz YDAFURPDONTKQD-OAHLLOKOSA-N 1 1 347.381 0.543 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC000491127902 439337178 /nfs/dbraw/zinc/33/71/78/439337178.db2.gz YDAFURPDONTKQD-OAHLLOKOSA-N 1 1 347.381 0.543 20 30 ECEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000598614255 439290238 /nfs/dbraw/zinc/29/02/38/439290238.db2.gz JXUPXGAMFGRSSB-CYBMUJFWSA-N 1 1 329.466 0.787 20 30 ECEDMO C#CCN1CCN(C(=O)CON=C(N)C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000490763747 439296787 /nfs/dbraw/zinc/29/67/87/439296787.db2.gz VLSVVGMRQJIVTE-HNNXBMFYSA-N 1 1 335.452 0.137 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000491297204 439364955 /nfs/dbraw/zinc/36/49/55/439364955.db2.gz PEYDDSUPZIEKMZ-UHFFFAOYSA-N 1 1 343.474 0.906 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000528527428 439345696 /nfs/dbraw/zinc/34/56/96/439345696.db2.gz SIKUCYVVCMNNPT-CYBMUJFWSA-N 1 1 335.367 0.894 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000491629128 439415493 /nfs/dbraw/zinc/41/54/93/439415493.db2.gz NZRZWTWLHLYHOD-ZFWWWQNUSA-N 1 1 332.448 0.783 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc(F)c(S(=O)(=O)NC)c1 ZINC000491635292 439417665 /nfs/dbraw/zinc/41/76/65/439417665.db2.gz RPPPDUKHCJEDID-UHFFFAOYSA-N 1 1 341.408 0.419 20 30 ECEDMO C#CCN1CCN(C(=O)CO[NH+]=C(N)CCc2ccccc2)CC1 ZINC000491689454 439427952 /nfs/dbraw/zinc/42/79/52/439427952.db2.gz ABBDOYVTOVKWEU-UHFFFAOYSA-N 1 1 328.416 0.895 20 30 ECEDMO C#CCN1C(=O)C[C@H]([N@H+]2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)C1=O ZINC000491715623 439432658 /nfs/dbraw/zinc/43/26/58/439432658.db2.gz KRAQRDBTRIMQLI-OAGGEKHMSA-N 1 1 340.379 0.636 20 30 ECEDMO C#CCN(C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC000491718740 439435831 /nfs/dbraw/zinc/43/58/31/439435831.db2.gz WBGTUMWGUWKRBK-KRWDZBQOSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000491746466 439439986 /nfs/dbraw/zinc/43/99/86/439439986.db2.gz LNFLPPMCPRSABY-KRWDZBQOSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCNc1nc(N[C@H]2C[C@@H]2C(F)F)[nH+]c(N[C@H]2C[C@@H]2C(F)F)n1 ZINC000491770778 439446210 /nfs/dbraw/zinc/44/62/10/439446210.db2.gz QHHYUAYLLSUVEH-JBDRJPRFSA-N 1 1 344.316 0.313 20 30 ECEDMO C#CCNc1nc(N[C@H]2C[C@@H]2C(F)F)nc(N[C@H]2C[C@@H]2C(F)F)[nH+]1 ZINC000491770778 439446215 /nfs/dbraw/zinc/44/62/15/439446215.db2.gz QHHYUAYLLSUVEH-JBDRJPRFSA-N 1 1 344.316 0.313 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CNc1ccc(C#N)cn1 ZINC000570950337 439464825 /nfs/dbraw/zinc/46/48/25/439464825.db2.gz BGGHYGQCYCMPOE-CQSZACIVSA-N 1 1 343.431 1.077 20 30 ECEDMO N#CC1(C[C@@H](O)C[N@H+](CCOCCO)C2CCC2)CCOCC1 ZINC000599468385 439483034 /nfs/dbraw/zinc/48/30/34/439483034.db2.gz FNXOTVDWGSGZRG-MRXNPFEDSA-N 1 1 326.437 0.921 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3nccnn3)CC2)cc1 ZINC000599510261 439494911 /nfs/dbraw/zinc/49/49/11/439494911.db2.gz VMXVWQWHKPLKSB-HNNXBMFYSA-N 1 1 340.387 0.305 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599542829 439501749 /nfs/dbraw/zinc/50/17/49/439501749.db2.gz DQUBUFWHICSJDU-MRXNPFEDSA-N 1 1 348.447 0.896 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2CO)CC1 ZINC000594016806 439506756 /nfs/dbraw/zinc/50/67/56/439506756.db2.gz IQFCPFBQSYXDNT-SJORKVTESA-N 1 1 336.480 0.916 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCCC[C@H]2CO)CC1 ZINC000594016805 439507929 /nfs/dbraw/zinc/50/79/29/439507929.db2.gz IQFCPFBQSYXDNT-IRXDYDNUSA-N 1 1 336.480 0.916 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599575745 439509757 /nfs/dbraw/zinc/50/97/57/439509757.db2.gz YUVQKIVOXWZNHY-GFCCVEGCSA-N 1 1 347.423 0.022 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)CC1 ZINC000491814879 439457216 /nfs/dbraw/zinc/45/72/16/439457216.db2.gz DPVXJVSMQRAAHU-LZLYRXPVSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)CC1 ZINC000491814879 439457219 /nfs/dbraw/zinc/45/72/19/439457219.db2.gz DPVXJVSMQRAAHU-LZLYRXPVSA-N 1 1 335.448 0.032 20 30 ECEDMO Cc1nccnc1N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599398070 439457453 /nfs/dbraw/zinc/45/74/53/439457453.db2.gz SJOJDXADVHBZPT-INIZCTEOSA-N 1 1 345.447 0.978 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000491820606 439458429 /nfs/dbraw/zinc/45/84/29/439458429.db2.gz YGVCQBHKXMJLLQ-UHFFFAOYSA-N 1 1 349.456 0.911 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)n(CCC#N)n1 ZINC000533326488 439525391 /nfs/dbraw/zinc/52/53/91/439525391.db2.gz VBSSYSSOLPQNOC-LBPRGKRZSA-N 1 1 332.408 0.643 20 30 ECEDMO C=CCCCCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000571777084 439529293 /nfs/dbraw/zinc/52/92/93/439529293.db2.gz QVWILOQTIOFYHF-UHFFFAOYSA-N 1 1 338.452 0.129 20 30 ECEDMO CC(C)(C)OC(=O)CC[N@@H+](CC(=O)NCC#N)C1CCOCC1 ZINC000584111260 439551447 /nfs/dbraw/zinc/55/14/47/439551447.db2.gz TYJRDIXZISCDGB-UHFFFAOYSA-N 1 1 325.409 0.839 20 30 ECEDMO N#Cc1cccc(-n2ccc(C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)n2)c1 ZINC000594385529 439551612 /nfs/dbraw/zinc/55/16/12/439551612.db2.gz GJWPGVNDQYPGTG-JKSUJKDBSA-N 1 1 337.383 0.635 20 30 ECEDMO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000594427091 439560513 /nfs/dbraw/zinc/56/05/13/439560513.db2.gz STPCWSCOKJKFCU-LSDHHAIUSA-N 1 1 335.452 0.068 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000543758300 439563744 /nfs/dbraw/zinc/56/37/44/439563744.db2.gz MFCYNVHGTJXBOK-ABAIWWIYSA-N 1 1 345.451 0.920 20 30 ECEDMO CNS(=O)(=O)c1cc(NC(=O)[C@H]([NH3+])CCCCC#N)ccc1O ZINC000594469681 439565740 /nfs/dbraw/zinc/56/57/40/439565740.db2.gz UCENPAIJMKFGDZ-LLVKDONJSA-N 1 1 340.405 0.650 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000609537708 439575029 /nfs/dbraw/zinc/57/50/29/439575029.db2.gz CVUSQZMFTUQKQE-DLBZAZTESA-N 1 1 335.496 0.705 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 ZINC000609672434 439583375 /nfs/dbraw/zinc/58/33/75/439583375.db2.gz HBZQHXYZYOSJJN-MSOLQXFVSA-N 1 1 341.459 0.796 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)C1 ZINC000609675438 439585822 /nfs/dbraw/zinc/58/58/22/439585822.db2.gz SOODSXXCDXUMLS-MRXNPFEDSA-N 1 1 348.472 0.959 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)n(CCC#N)n1 ZINC000600036081 439600429 /nfs/dbraw/zinc/60/04/29/439600429.db2.gz QPUKHNOJAUUYOJ-CQSZACIVSA-N 1 1 346.435 0.892 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000610605429 439631649 /nfs/dbraw/zinc/63/16/49/439631649.db2.gz WMFOTWPGZLSINR-CABCVRRESA-N 1 1 330.388 0.202 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000610605429 439631653 /nfs/dbraw/zinc/63/16/53/439631653.db2.gz WMFOTWPGZLSINR-CABCVRRESA-N 1 1 330.388 0.202 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000610684687 439639153 /nfs/dbraw/zinc/63/91/53/439639153.db2.gz XOAACGGCEFIFAY-ZIAGYGMSSA-N 1 1 343.435 0.663 20 30 ECEDMO N#Cc1ccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c(F)c1 ZINC000585683045 439643752 /nfs/dbraw/zinc/64/37/52/439643752.db2.gz ITJPQQSLDJUXFK-UHFFFAOYSA-N 1 1 348.378 0.152 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000585718665 439644402 /nfs/dbraw/zinc/64/44/02/439644402.db2.gz RRNNSXVNAAIILQ-AEFFLSMTSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000585718665 439644406 /nfs/dbraw/zinc/64/44/06/439644406.db2.gz RRNNSXVNAAIILQ-AEFFLSMTSA-N 1 1 334.464 0.982 20 30 ECEDMO N#CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000610788268 439647281 /nfs/dbraw/zinc/64/72/81/439647281.db2.gz TVKZIQXVLKUADF-IRXDYDNUSA-N 1 1 349.479 0.917 20 30 ECEDMO CN(CCCc1[nH]nc(N)c1C#N)c1nc(N2CCOCC2)cc[nH+]1 ZINC000610795948 439648047 /nfs/dbraw/zinc/64/80/47/439648047.db2.gz LQGXAPJHOBKCCN-UHFFFAOYSA-N 1 1 342.407 0.559 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000595073145 439651929 /nfs/dbraw/zinc/65/19/29/439651929.db2.gz MQMCBOYXDWOUDM-LBPRGKRZSA-N 1 1 332.408 0.724 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000573806195 439668557 /nfs/dbraw/zinc/66/85/57/439668557.db2.gz UHJXSEAQSKDHLG-CABCVRRESA-N 1 1 338.452 0.526 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595384066 439718294 /nfs/dbraw/zinc/71/82/94/439718294.db2.gz INKBAYOZDNLIHE-ZFWWWQNUSA-N 1 1 344.481 0.244 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600526452 439675049 /nfs/dbraw/zinc/67/50/49/439675049.db2.gz JKIZUHYZUVKPAS-CYBMUJFWSA-N 1 1 332.404 0.391 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000595284239 439691781 /nfs/dbraw/zinc/69/17/81/439691781.db2.gz PMGJYPFBRYJBMC-HNNXBMFYSA-N 1 1 348.472 0.980 20 30 ECEDMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000611359808 439693686 /nfs/dbraw/zinc/69/36/86/439693686.db2.gz SLVFQJJUFQUGPM-GFCCVEGCSA-N 1 1 332.408 0.659 20 30 ECEDMO C=C[C@](C)(O)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000611802041 439730025 /nfs/dbraw/zinc/73/00/25/439730025.db2.gz FNPUIEXOYSBZLF-SFHVURJKSA-N 1 1 331.416 0.879 20 30 ECEDMO C=C[C@H](O)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000614721094 439785074 /nfs/dbraw/zinc/78/50/74/439785074.db2.gz GXDLJICXMMXNJI-MSOLQXFVSA-N 1 1 329.444 0.952 20 30 ECEDMO CC1(C)CN(CC(=O)NCc2ccc(C#N)cc2)CC[N@H+]1CCO ZINC000614920855 439790326 /nfs/dbraw/zinc/79/03/26/439790326.db2.gz UWXJDGUOMIOUDD-UHFFFAOYSA-N 1 1 330.432 0.563 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)c1C#N ZINC000615972181 439810136 /nfs/dbraw/zinc/81/01/36/439810136.db2.gz ZRCAWBXGYHOXNW-UHFFFAOYSA-N 1 1 326.404 0.621 20 30 ECEDMO C=CCOCCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641817659 439921921 /nfs/dbraw/zinc/92/19/21/439921921.db2.gz XKIJBHGITVPVMX-INIZCTEOSA-N 1 1 340.468 0.285 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000665828414 440538478 /nfs/dbraw/zinc/53/84/78/440538478.db2.gz BVUHBWSPLQIPGB-CVEARBPZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC000639973788 440844652 /nfs/dbraw/zinc/84/46/52/440844652.db2.gz OOHWEJMCVJXAEM-HUUCEWRRSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC000639973788 440844658 /nfs/dbraw/zinc/84/46/58/440844658.db2.gz OOHWEJMCVJXAEM-HUUCEWRRSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)nnn3C)CC1 ZINC000645521957 440828386 /nfs/dbraw/zinc/82/83/86/440828386.db2.gz AVRZLJUDSYQTDC-UHFFFAOYSA-N 1 1 335.433 0.897 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000546709457 322120285 /nfs/dbraw/zinc/12/02/85/322120285.db2.gz QSPGOBOYEVVQGA-UHFFFAOYSA-N 1 1 346.387 0.344 20 30 ECEDMO C[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)CN1CCN(C)CC1 ZINC000557169221 322205192 /nfs/dbraw/zinc/20/51/92/322205192.db2.gz DRPFIFZSOLNHCL-CQSZACIVSA-N 1 1 327.436 0.574 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000560325086 322233854 /nfs/dbraw/zinc/23/38/54/322233854.db2.gz WCVOSCRTAMSCQY-UHFFFAOYSA-N 1 1 345.447 0.382 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cc2cccc(C#N)c2)CC1 ZINC000566596510 322544341 /nfs/dbraw/zinc/54/43/41/322544341.db2.gz DLRJICJKDMYMKX-UHFFFAOYSA-N 1 1 328.416 0.770 20 30 ECEDMO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1=O ZINC000568502328 322630305 /nfs/dbraw/zinc/63/03/05/322630305.db2.gz PXWFDQVTNUEGDT-IVMMDQJWSA-N 1 1 347.440 0.931 20 30 ECEDMO N#Cc1cnn2cc(C[NH2+][C@H]3CCN(CC(F)(F)F)C3=O)cnc12 ZINC000572644083 322748624 /nfs/dbraw/zinc/74/86/24/322748624.db2.gz JLXZRNWVBSJDRP-NSHDSACASA-N 1 1 338.293 0.854 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078006324 782119745 /nfs/dbraw/zinc/11/97/45/782119745.db2.gz ZMXKHBNNRUZAIV-KZNAEPCWSA-N 1 1 342.443 0.561 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC001078020379 782152503 /nfs/dbraw/zinc/15/25/03/782152503.db2.gz NVIJCVNJVZSFCD-HUUCEWRRSA-N 1 1 329.404 0.779 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000171536948 526450251 /nfs/dbraw/zinc/45/02/51/526450251.db2.gz UFLHGTOADJJHSW-UHFFFAOYSA-N 1 1 326.422 0.053 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)c2ccccc2OC)CC1 ZINC000154362396 526722954 /nfs/dbraw/zinc/72/29/54/526722954.db2.gz YGBDWTHLAWRUMH-UHFFFAOYSA-N 1 1 329.400 0.593 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000329205778 546016828 /nfs/dbraw/zinc/01/68/28/546016828.db2.gz DNTSGTYIHCGASF-HNNXBMFYSA-N 1 1 346.435 0.992 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCn2ccnc2C1)N1CC[NH+](C)CC1 ZINC000329855906 546035815 /nfs/dbraw/zinc/03/58/15/546035815.db2.gz ULMFZPIPFWVLDU-HNNXBMFYSA-N 1 1 334.468 0.885 20 30 ECEDMO CC1(C)CCC[N@@H+](CCNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC000329903960 546036094 /nfs/dbraw/zinc/03/60/94/546036094.db2.gz QRSMFQLBDMLUSS-UHFFFAOYSA-N 1 1 332.408 0.970 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccn(CCC#N)n1 ZINC000330195670 546040348 /nfs/dbraw/zinc/04/03/48/546040348.db2.gz PHCXFTSSEWXPAC-CQSZACIVSA-N 1 1 346.435 1.514 20 30 ECEDMO Cn1nnc(CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)n1 ZINC000330225608 546041415 /nfs/dbraw/zinc/04/14/15/546041415.db2.gz TZIAMPLQSYACAI-OAHLLOKOSA-N 1 1 329.408 0.655 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1nnn(C)n1 ZINC000330222489 546041689 /nfs/dbraw/zinc/04/16/89/546041689.db2.gz MLVCBXIGHIPYEA-CYBMUJFWSA-N 1 1 329.408 0.830 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1nnn(C)n1 ZINC000330222489 546041693 /nfs/dbraw/zinc/04/16/93/546041693.db2.gz MLVCBXIGHIPYEA-CYBMUJFWSA-N 1 1 329.408 0.830 20 30 ECEDMO C=C[C@@H](NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(=O)OC ZINC000619699639 546358414 /nfs/dbraw/zinc/35/84/14/546358414.db2.gz BSKIAFHUNXMQFB-MRXNPFEDSA-N 1 1 331.416 0.891 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000619709584 546359632 /nfs/dbraw/zinc/35/96/32/546359632.db2.gz DGZDYLKYRLHYDD-CQSZACIVSA-N 1 1 330.454 0.167 20 30 ECEDMO CN(C)C(=O)NCC[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625279491 547060329 /nfs/dbraw/zinc/06/03/29/547060329.db2.gz HMKLMSMVURFSCP-UHFFFAOYSA-N 1 1 342.399 0.489 20 30 ECEDMO CN(C)C(=O)NCC[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625279491 547060332 /nfs/dbraw/zinc/06/03/32/547060332.db2.gz HMKLMSMVURFSCP-UHFFFAOYSA-N 1 1 342.399 0.489 20 30 ECEDMO C=CCOCCNC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000679481517 549096129 /nfs/dbraw/zinc/09/61/29/549096129.db2.gz BVWDOZZTYDXQJQ-UHFFFAOYSA-N 1 1 326.441 0.479 20 30 ECEDMO C=C(C)COCCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679510757 549100582 /nfs/dbraw/zinc/10/05/82/549100582.db2.gz MQJORPXDNHBLQD-UHFFFAOYSA-N 1 1 329.360 0.915 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)cn1 ZINC001078032382 782179883 /nfs/dbraw/zinc/17/98/83/782179883.db2.gz LHQLABPFZVUAHK-IAOVAPTHSA-N 1 1 329.400 0.264 20 30 ECEDMO O=C(CCNC(=O)C1N=CC=CC1=O)OCCC[NH+]1CCOCC1 ZINC000750891482 579360272 /nfs/dbraw/zinc/36/02/72/579360272.db2.gz STDOIOWWDKQKRV-FOCLMDBBSA-N 1 1 337.376 0.168 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2n[nH]c(C)c2C(=O)OC)CC1 ZINC000751076806 579362981 /nfs/dbraw/zinc/36/29/81/579362981.db2.gz WZVFENBUGXUUGM-UHFFFAOYSA-N 1 1 342.421 0.433 20 30 ECEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(S(N)(=O)=O)cc1 ZINC000753941021 579409527 /nfs/dbraw/zinc/40/95/27/579409527.db2.gz VYEMXQHPDOSHQX-ZIAGYGMSSA-N 1 1 335.433 0.918 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 ZINC000757592759 579462465 /nfs/dbraw/zinc/46/24/65/579462465.db2.gz KBIBQZUEZGNJNW-UPJWGTAASA-N 1 1 338.408 0.192 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 ZINC000757592759 579462467 /nfs/dbraw/zinc/46/24/67/579462467.db2.gz KBIBQZUEZGNJNW-UPJWGTAASA-N 1 1 338.408 0.192 20 30 ECEDMO N#CCCNC(=O)C[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759900797 579500300 /nfs/dbraw/zinc/50/03/00/579500300.db2.gz QXUZWJGQFKTXCL-ZDUSSCGKSA-N 1 1 327.388 0.549 20 30 ECEDMO N#CCCNC(=O)C[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759900797 579500301 /nfs/dbraw/zinc/50/03/01/579500301.db2.gz QXUZWJGQFKTXCL-ZDUSSCGKSA-N 1 1 327.388 0.549 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000732448029 578325419 /nfs/dbraw/zinc/32/54/19/578325419.db2.gz MTFMLDPELRAAIN-FJOSAAFMSA-N 1 1 347.419 0.439 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)COCCNC(=O)OC(C)(C)C)CC1 ZINC000732552440 578327246 /nfs/dbraw/zinc/32/72/46/578327246.db2.gz CAADFPOUJCFYHQ-UHFFFAOYSA-N 1 1 339.436 0.695 20 30 ECEDMO Cn1c(Cl)cnc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000799470314 578665645 /nfs/dbraw/zinc/66/56/45/578665645.db2.gz UJAPIDKHZVJVKA-UHFFFAOYSA-N 1 1 344.872 0.594 20 30 ECEDMO N#Cc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nc1 ZINC000780474764 578694541 /nfs/dbraw/zinc/69/45/41/578694541.db2.gz DNBFWNCOBPYCPB-CQSZACIVSA-N 1 1 344.419 0.340 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000781012546 578704493 /nfs/dbraw/zinc/70/44/93/578704493.db2.gz GFDLPCXNVWCCHM-DYVFJYSZSA-N 1 1 345.399 0.687 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000781012546 578704495 /nfs/dbraw/zinc/70/44/95/578704495.db2.gz GFDLPCXNVWCCHM-DYVFJYSZSA-N 1 1 345.399 0.687 20 30 ECEDMO O=C1N=C(N=NC2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)NC1=O ZINC000781127261 578705363 /nfs/dbraw/zinc/70/53/63/578705363.db2.gz HNJHIRUIGOUITP-KBPBESRZSA-N 1 1 339.399 0.877 20 30 ECEDMO C#CCOCCNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000784212398 578749795 /nfs/dbraw/zinc/74/97/95/578749795.db2.gz FYSQIYDBPQYIPQ-UHFFFAOYSA-N 1 1 330.432 0.758 20 30 ECEDMO Cn1ccnc1[C@@H](O)C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000784341970 578750768 /nfs/dbraw/zinc/75/07/68/578750768.db2.gz VBKOUDJISIYIBB-HNNXBMFYSA-N 1 1 331.420 0.728 20 30 ECEDMO CC[N@@H+](CCNC(=O)C(=O)NCCNc1ncccc1C#N)C(C)C ZINC000787777124 578817027 /nfs/dbraw/zinc/81/70/27/578817027.db2.gz HTNVANVTUMZSAO-UHFFFAOYSA-N 1 1 346.435 0.328 20 30 ECEDMO N#Cc1cccc([C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CCO2)c1 ZINC000765380794 579064120 /nfs/dbraw/zinc/06/41/20/579064120.db2.gz KCKMJXLRNOTSFU-ZWKOTPCHSA-N 1 1 340.427 0.848 20 30 ECEDMO C[NH+]1CCN(c2ncc(C=NNCCOCC(F)(F)F)cn2)CC1 ZINC000765595071 579069805 /nfs/dbraw/zinc/06/98/05/579069805.db2.gz CUZPPTWAOQKSGY-UHFFFAOYSA-N 1 1 346.357 0.731 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)CCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC000765934057 579076203 /nfs/dbraw/zinc/07/62/03/579076203.db2.gz XOZWCVXIXSHENR-MSPKJWORSA-N 1 1 334.420 0.844 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000770307825 579164362 /nfs/dbraw/zinc/16/43/62/579164362.db2.gz ZTICTGQWNPSCCR-CJNGLKHVSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000770307825 579164363 /nfs/dbraw/zinc/16/43/63/579164363.db2.gz ZTICTGQWNPSCCR-CJNGLKHVSA-N 1 1 345.399 0.472 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000771214104 579186585 /nfs/dbraw/zinc/18/65/85/579186585.db2.gz BSYXNMYLCPMNBQ-CHWSQXEVSA-N 1 1 346.362 0.615 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000771658397 579192921 /nfs/dbraw/zinc/19/29/21/579192921.db2.gz SISNSUVTRFPXJB-WMLDXEAASA-N 1 1 330.432 0.734 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000773363630 579225927 /nfs/dbraw/zinc/22/59/27/579225927.db2.gz NAILBEOMLSRFKR-ZDUSSCGKSA-N 1 1 327.384 0.990 20 30 ECEDMO C#C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000775330893 579265559 /nfs/dbraw/zinc/26/55/59/579265559.db2.gz SDVKIFDDHSYZIY-LNLFQRSKSA-N 1 1 328.412 0.920 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCCO1 ZINC000775793737 579271422 /nfs/dbraw/zinc/27/14/22/579271422.db2.gz NLFRSKIWUJBYGF-CABCVRRESA-N 1 1 345.399 0.334 20 30 ECEDMO C#C[C@@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000776225794 579278007 /nfs/dbraw/zinc/27/80/07/579278007.db2.gz CJQDXFAOVIKZOX-CVEARBPZSA-N 1 1 336.480 0.883 20 30 ECEDMO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)NCC#N ZINC000738326693 579620214 /nfs/dbraw/zinc/62/02/14/579620214.db2.gz QDLFQDXGCGQCOV-UHFFFAOYSA-N 1 1 339.440 0.111 20 30 ECEDMO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)NCC#N ZINC000738326693 579620215 /nfs/dbraw/zinc/62/02/15/579620215.db2.gz QDLFQDXGCGQCOV-UHFFFAOYSA-N 1 1 339.440 0.111 20 30 ECEDMO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000742370480 579786646 /nfs/dbraw/zinc/78/66/46/579786646.db2.gz WKDSIHUWYYYJRJ-UHFFFAOYSA-N 1 1 348.384 0.788 20 30 ECEDMO N#CCn1cc(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000746183577 579832346 /nfs/dbraw/zinc/83/23/46/579832346.db2.gz KHTAMGIHQRLIRO-QGZVFWFLSA-N 1 1 325.372 0.982 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[N@H+]1CCCC[C@H]1C ZINC000746353846 579836664 /nfs/dbraw/zinc/83/66/64/579836664.db2.gz LHFPMQZXEYJQCU-OLZOCXBDSA-N 1 1 332.408 0.724 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](O)COc1cccc(F)c1 ZINC000836489421 588931449 /nfs/dbraw/zinc/93/14/49/588931449.db2.gz ZTEXZMRKZNHYKS-OAHLLOKOSA-N 1 1 337.395 0.820 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC#C[C@H]2CCCCO2)C1 ZINC000891107519 586082824 /nfs/dbraw/zinc/08/28/24/586082824.db2.gz RKDUZPCSJCTPRV-JKSUJKDBSA-N 1 1 336.432 0.950 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC#C[C@H]2CCCCO2)C1 ZINC000891107519 586082826 /nfs/dbraw/zinc/08/28/26/586082826.db2.gz RKDUZPCSJCTPRV-JKSUJKDBSA-N 1 1 336.432 0.950 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC#C[C@@H]2CCCCO2)C1 ZINC000891107515 586082838 /nfs/dbraw/zinc/08/28/38/586082838.db2.gz RKDUZPCSJCTPRV-CVEARBPZSA-N 1 1 336.432 0.950 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC#C[C@@H]2CCCCO2)C1 ZINC000891107515 586082840 /nfs/dbraw/zinc/08/28/40/586082840.db2.gz RKDUZPCSJCTPRV-CVEARBPZSA-N 1 1 336.432 0.950 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCCc2ccc(C)nc2)CC1 ZINC000895922142 586213388 /nfs/dbraw/zinc/21/33/88/586213388.db2.gz RNFKYNLNRGKNJX-UHFFFAOYSA-N 1 1 336.461 0.408 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC(n3cc(C(C)=O)nn3)C2)C1 ZINC000896490568 586243865 /nfs/dbraw/zinc/24/38/65/586243865.db2.gz UPHNJUVQJPUACE-ZDUSSCGKSA-N 1 1 330.392 0.145 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC(n3cc(C(C)=O)nn3)C2)C1 ZINC000896490568 586243866 /nfs/dbraw/zinc/24/38/66/586243866.db2.gz UPHNJUVQJPUACE-ZDUSSCGKSA-N 1 1 330.392 0.145 20 30 ECEDMO N#CCN1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000892879079 586298697 /nfs/dbraw/zinc/29/86/97/586298697.db2.gz FXKXINPRZQGQEM-HZPDHXFCSA-N 1 1 335.452 0.215 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)cc1 ZINC000897778927 586369725 /nfs/dbraw/zinc/36/97/25/586369725.db2.gz JJWDGOKAHLZMTK-QGZVFWFLSA-N 1 1 343.427 0.577 20 30 ECEDMO Cc1nnsc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000814213940 586379431 /nfs/dbraw/zinc/37/94/31/586379431.db2.gz XDNDDKOCCKGADG-UHFFFAOYSA-N 1 1 328.467 0.367 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)COc2cccc(C#N)c2)C1 ZINC000898255333 586411414 /nfs/dbraw/zinc/41/14/14/586411414.db2.gz YRKCYDPUCFERET-UHFFFAOYSA-N 1 1 347.415 0.743 20 30 ECEDMO C[NH+](C)CC#CCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000894876682 586416933 /nfs/dbraw/zinc/41/69/33/586416933.db2.gz TUKZERSGHZGYTC-UHFFFAOYSA-N 1 1 344.458 0.471 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000900175939 586530554 /nfs/dbraw/zinc/53/05/54/586530554.db2.gz FOMBQAQXLVPQCB-FZKQIMNGSA-N 1 1 346.406 0.801 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000843253417 589056872 /nfs/dbraw/zinc/05/68/72/589056872.db2.gz MGKMNUYFHQQPNT-KRWDZBQOSA-N 1 1 348.491 0.344 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000900486411 586635659 /nfs/dbraw/zinc/63/56/59/586635659.db2.gz VHWSCZHXTWWNGS-MAUKXSAKSA-N 1 1 328.416 0.662 20 30 ECEDMO C[N@H+]1CCCN(CCCNC(=O)c2cccc(C#CCO)c2)CC1 ZINC000900699294 586657532 /nfs/dbraw/zinc/65/75/32/586657532.db2.gz MEDWWDUXYKZTBG-UHFFFAOYSA-N 1 1 329.444 0.788 20 30 ECEDMO CN1CCC[N@H+](CCCNC(=O)c2cccc(C#CCO)c2)CC1 ZINC000900699294 586657533 /nfs/dbraw/zinc/65/75/33/586657533.db2.gz MEDWWDUXYKZTBG-UHFFFAOYSA-N 1 1 329.444 0.788 20 30 ECEDMO CN1CCC[N@@H+](CCCNC(=O)c2cccc(C#CCO)c2)CC1 ZINC000900699294 586657534 /nfs/dbraw/zinc/65/75/34/586657534.db2.gz MEDWWDUXYKZTBG-UHFFFAOYSA-N 1 1 329.444 0.788 20 30 ECEDMO C#CCN1C(=O)C[C@H]([N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1=O ZINC000843270464 589059120 /nfs/dbraw/zinc/05/91/20/589059120.db2.gz VJCKTJOESTYIHH-CVEARBPZSA-N 1 1 339.395 0.385 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C[C@@H]([C@H]3CCCO3)CC2=O)CC1 ZINC000902092525 586719852 /nfs/dbraw/zinc/71/98/52/586719852.db2.gz DYUHQSLQWPVAIJ-JKSUJKDBSA-N 1 1 333.432 0.433 20 30 ECEDMO COCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000903574587 586792503 /nfs/dbraw/zinc/79/25/03/586792503.db2.gz UHIQINNEBJTOLI-ZDUSSCGKSA-N 1 1 327.381 0.696 20 30 ECEDMO C#CCOc1ccccc1CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000838472971 586810322 /nfs/dbraw/zinc/81/03/22/586810322.db2.gz CKUVVMHBLAVVKV-HNNXBMFYSA-N 1 1 331.416 0.907 20 30 ECEDMO C#CCOc1ccccc1CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000838472971 586810324 /nfs/dbraw/zinc/81/03/24/586810324.db2.gz CKUVVMHBLAVVKV-HNNXBMFYSA-N 1 1 331.416 0.907 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000838543470 586815296 /nfs/dbraw/zinc/81/52/96/586815296.db2.gz CTTYPFCKRVSFMC-ZDUSSCGKSA-N 1 1 329.466 0.713 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000838543470 586815297 /nfs/dbraw/zinc/81/52/97/586815297.db2.gz CTTYPFCKRVSFMC-ZDUSSCGKSA-N 1 1 329.466 0.713 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000839170640 586840327 /nfs/dbraw/zinc/84/03/27/586840327.db2.gz QOIVRZQQAZAZQG-YQQAZPJKSA-N 1 1 331.416 0.915 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000839170640 586840329 /nfs/dbraw/zinc/84/03/29/586840329.db2.gz QOIVRZQQAZAZQG-YQQAZPJKSA-N 1 1 331.416 0.915 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1)c1ccncc1 ZINC000804901641 586862420 /nfs/dbraw/zinc/86/24/20/586862420.db2.gz XTTCODMGTZRFNE-CVEARBPZSA-N 1 1 346.431 0.652 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1 ZINC000839606289 586882286 /nfs/dbraw/zinc/88/22/86/586882286.db2.gz OZNUMSKZGABKGX-AWEZNQCLSA-N 1 1 343.383 0.170 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1 ZINC000839606289 586882288 /nfs/dbraw/zinc/88/22/88/586882288.db2.gz OZNUMSKZGABKGX-AWEZNQCLSA-N 1 1 343.383 0.170 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000801935193 587006579 /nfs/dbraw/zinc/00/65/79/587006579.db2.gz AGQICJAYDDPYJP-MRXNPFEDSA-N 1 1 337.445 0.459 20 30 ECEDMO C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1 ZINC000907206240 587022987 /nfs/dbraw/zinc/02/29/87/587022987.db2.gz CVSCUCOVRGWYKU-UHFFFAOYSA-N 1 1 348.808 0.953 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)o1 ZINC000907206240 587022992 /nfs/dbraw/zinc/02/29/92/587022992.db2.gz CVSCUCOVRGWYKU-UHFFFAOYSA-N 1 1 348.808 0.953 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCCO1 ZINC000803563698 587063375 /nfs/dbraw/zinc/06/33/75/587063375.db2.gz BKXTWACRQKSZSC-JYJNAYRXSA-N 1 1 335.448 0.520 20 30 ECEDMO CC(C)n1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)nn1 ZINC000807948310 587140479 /nfs/dbraw/zinc/14/04/79/587140479.db2.gz DQEFNSFNWGCNLW-UHFFFAOYSA-N 1 1 339.469 0.379 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000808776554 587161601 /nfs/dbraw/zinc/16/16/01/587161601.db2.gz WNBIKJXLZBTWIC-CYBMUJFWSA-N 1 1 329.466 0.118 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCCO1 ZINC000808836051 587162145 /nfs/dbraw/zinc/16/21/45/587162145.db2.gz YGJGECHDXKSPHL-IXDOHACOSA-N 1 1 349.475 0.768 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)[C@H]1CCCO1 ZINC000809310034 587174688 /nfs/dbraw/zinc/17/46/88/587174688.db2.gz RYAIEEJTIUKWLQ-CAOSSQGBSA-N 1 1 335.448 0.472 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[C@H]1CCCO1 ZINC000809314186 587175515 /nfs/dbraw/zinc/17/55/15/587175515.db2.gz ZGSKUUGCRLDCQF-OWCLPIDISA-N 1 1 333.432 0.417 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@@H]1CCCO1 ZINC000809314139 587175567 /nfs/dbraw/zinc/17/55/67/587175567.db2.gz YNTKEKQHXSUHHN-QXSJWSMHSA-N 1 1 333.432 0.226 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC(C)(C)C[C@H]2C)c1=O ZINC000840185233 587182875 /nfs/dbraw/zinc/18/28/75/587182875.db2.gz XDSUPZWIZJMPIM-CYBMUJFWSA-N 1 1 334.420 0.622 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC(C)(C)C[C@H]2C)c1=O ZINC000840185233 587182877 /nfs/dbraw/zinc/18/28/77/587182877.db2.gz XDSUPZWIZJMPIM-CYBMUJFWSA-N 1 1 334.420 0.622 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1csnn1 ZINC000814728056 587278767 /nfs/dbraw/zinc/27/87/67/587278767.db2.gz KBZYHXBJPJSLMC-UHFFFAOYSA-N 1 1 328.467 0.449 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000815185565 587284151 /nfs/dbraw/zinc/28/41/51/587284151.db2.gz JDYMNXFGQWHPGK-GASCZTMLSA-N 1 1 329.400 0.105 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000815703583 587296162 /nfs/dbraw/zinc/29/61/62/587296162.db2.gz INYAYUYAHZEDML-HIFRSBDPSA-N 1 1 327.384 0.800 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000815704850 587296177 /nfs/dbraw/zinc/29/61/77/587296177.db2.gz RUNWYBXZEAKHAX-BBRMVZONSA-N 1 1 327.384 0.800 20 30 ECEDMO C[NH+]1CCN([C@H](C(=O)N[C@@H]2CCN(O)C2=O)c2ccccc2)CC1 ZINC000816695408 587320395 /nfs/dbraw/zinc/32/03/95/587320395.db2.gz BOJGXEFWYVKLOW-CABCVRRESA-N 1 1 332.404 0.081 20 30 ECEDMO C[NH+]1CCN([C@@H](C(=O)N[C@H]2CCCN(O)C2=O)c2ccccc2)CC1 ZINC000816758259 587324626 /nfs/dbraw/zinc/32/46/26/587324626.db2.gz LKVYYWWXJIBHLB-JKSUJKDBSA-N 1 1 346.431 0.472 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1C#N ZINC000817838646 587388671 /nfs/dbraw/zinc/38/86/71/587388671.db2.gz BCMNGDPEYNVTHS-OAHLLOKOSA-N 1 1 344.415 0.736 20 30 ECEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)COCCO ZINC000819745663 587488681 /nfs/dbraw/zinc/48/86/81/587488681.db2.gz OOKAMUIIHYSNRW-HNNXBMFYSA-N 1 1 333.392 0.225 20 30 ECEDMO C=C[C@@](C)(O)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822410794 587658656 /nfs/dbraw/zinc/65/86/56/587658656.db2.gz DNIDQPDATBZECF-QGZVFWFLSA-N 1 1 341.452 0.982 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)C2(C#N)CCSCC2)CC[N@H+](C)C1 ZINC000822630713 587670863 /nfs/dbraw/zinc/67/08/63/587670863.db2.gz IEWOJORFLFTIBO-GFCCVEGCSA-N 1 1 325.434 0.587 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)C2(C#N)CCSCC2)CC[N@@H+](C)C1 ZINC000822630713 587670864 /nfs/dbraw/zinc/67/08/64/587670864.db2.gz IEWOJORFLFTIBO-GFCCVEGCSA-N 1 1 325.434 0.587 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000827420890 588119920 /nfs/dbraw/zinc/11/99/20/588119920.db2.gz ZAEZDUJKGJMPTA-MRXNPFEDSA-N 1 1 332.379 0.677 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000827420890 588119921 /nfs/dbraw/zinc/11/99/21/588119921.db2.gz ZAEZDUJKGJMPTA-MRXNPFEDSA-N 1 1 332.379 0.677 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000827967540 588149364 /nfs/dbraw/zinc/14/93/64/588149364.db2.gz RHPVLJZSWCCGNB-ZDUSSCGKSA-N 1 1 332.408 0.929 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000827967540 588149365 /nfs/dbraw/zinc/14/93/65/588149365.db2.gz RHPVLJZSWCCGNB-ZDUSSCGKSA-N 1 1 332.408 0.929 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000828219734 588166492 /nfs/dbraw/zinc/16/64/92/588166492.db2.gz NUOOVORYKRDDHZ-MRXNPFEDSA-N 1 1 337.464 0.865 20 30 ECEDMO N#Cc1c(NC[C@@H]2CCC[N@H+]2CCCO)cccc1S(N)(=O)=O ZINC000828423763 588177882 /nfs/dbraw/zinc/17/78/82/588177882.db2.gz YTNANEMOPJCEOH-LBPRGKRZSA-N 1 1 338.433 0.464 20 30 ECEDMO C#CCC[NH+]1CCN(Cc2nc(-c3ccc(OC)nn3)no2)CC1 ZINC000828519043 588186545 /nfs/dbraw/zinc/18/65/45/588186545.db2.gz BOMMCQIZQYOJDY-UHFFFAOYSA-N 1 1 328.376 0.676 20 30 ECEDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 ZINC000829351150 588322271 /nfs/dbraw/zinc/32/22/71/588322271.db2.gz ITFKQOGLWIWFRR-OAHLLOKOSA-N 1 1 344.415 0.784 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000829773761 588341141 /nfs/dbraw/zinc/34/11/41/588341141.db2.gz SUWOUURNNCHYOV-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCN(C)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1C[C@H]1CCOC1 ZINC000829898666 588347231 /nfs/dbraw/zinc/34/72/31/588347231.db2.gz KODGOOQUGAWBOO-OAGGEKHMSA-N 1 1 345.447 0.920 20 30 ECEDMO N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000831810412 588451228 /nfs/dbraw/zinc/45/12/28/588451228.db2.gz PCFXTOUJWSOCOO-GFCCVEGCSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000831810412 588451229 /nfs/dbraw/zinc/45/12/29/588451229.db2.gz PCFXTOUJWSOCOO-GFCCVEGCSA-N 1 1 341.408 0.822 20 30 ECEDMO C#CCN(CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C(=O)OC(C)(C)C ZINC000832206777 588474938 /nfs/dbraw/zinc/47/49/38/588474938.db2.gz HOCQVQRBXABJSW-INIZCTEOSA-N 1 1 325.409 0.040 20 30 ECEDMO COC(=O)CN(C)C(=O)CC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370843 589109467 /nfs/dbraw/zinc/10/94/67/589109467.db2.gz UQKAHEWNXHMQMZ-HNNXBMFYSA-N 1 1 333.388 0.545 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c(=O)n(C)c1=O ZINC000846007610 589181392 /nfs/dbraw/zinc/18/13/92/589181392.db2.gz REJNHUMLCJBIBG-HNNXBMFYSA-N 1 1 328.372 0.121 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000846731335 589221415 /nfs/dbraw/zinc/22/14/15/589221415.db2.gz IDIOYDJEWWKDEK-KRWDZBQOSA-N 1 1 327.428 0.901 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000846731335 589221416 /nfs/dbraw/zinc/22/14/16/589221416.db2.gz IDIOYDJEWWKDEK-KRWDZBQOSA-N 1 1 327.428 0.901 20 30 ECEDMO C[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847405775 589245901 /nfs/dbraw/zinc/24/59/01/589245901.db2.gz BWVQGEHTOXUJKC-AIANPOQGSA-N 1 1 349.479 0.866 20 30 ECEDMO C[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847405775 589245903 /nfs/dbraw/zinc/24/59/03/589245903.db2.gz BWVQGEHTOXUJKC-AIANPOQGSA-N 1 1 349.479 0.866 20 30 ECEDMO C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1N(C)CCCC1(C)C ZINC000849111373 589320819 /nfs/dbraw/zinc/32/08/19/589320819.db2.gz ZAYGOAOHFWIJHV-HNNXBMFYSA-N 1 1 325.501 0.604 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CCCC1 ZINC000850660050 589376693 /nfs/dbraw/zinc/37/66/93/589376693.db2.gz YBGSPGHTSZXTKO-KRWDZBQOSA-N 1 1 347.459 0.448 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000850683014 589379019 /nfs/dbraw/zinc/37/90/19/589379019.db2.gz PQTBQLQIGAPDPT-RDJZCZTQSA-N 1 1 347.459 0.306 20 30 ECEDMO C#CCC[N@H+](CCOC)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000852752984 589510118 /nfs/dbraw/zinc/51/01/18/589510118.db2.gz SNUIYRCXRXDGAL-CQSZACIVSA-N 1 1 330.384 0.615 20 30 ECEDMO Cc1cc(NC[C@@H]2COCCO2)c(C#N)c(NC[C@@H]2COCCO2)[nH+]1 ZINC000853209275 589537558 /nfs/dbraw/zinc/53/75/58/589537558.db2.gz LQBVIDKCRVMOCM-ZIAGYGMSSA-N 1 1 348.403 0.916 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000853972646 589566357 /nfs/dbraw/zinc/56/63/57/589566357.db2.gz JTNSAFYNCLRYLY-UHFFFAOYSA-N 1 1 345.325 0.449 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000855288715 589626004 /nfs/dbraw/zinc/62/60/04/589626004.db2.gz LEWQHQYECVPNJH-IUDBQGPFSA-N 1 1 334.420 0.892 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000855363947 589627901 /nfs/dbraw/zinc/62/79/01/589627901.db2.gz WRTXITXKMJEMPI-HNNXBMFYSA-N 1 1 349.456 0.764 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000856800434 589676160 /nfs/dbraw/zinc/67/61/60/589676160.db2.gz DJZWJZTXPFDDMI-IUODEOHRSA-N 1 1 349.435 0.566 20 30 ECEDMO CN(CCc1cccc(C#N)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000868235896 589883110 /nfs/dbraw/zinc/88/31/10/589883110.db2.gz KFKHZZLVUNZZQQ-QGZVFWFLSA-N 1 1 329.448 0.988 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000868581151 589915032 /nfs/dbraw/zinc/91/50/32/589915032.db2.gz LUYBWLQQCBDQKI-HNNXBMFYSA-N 1 1 342.399 0.199 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000863497730 590018008 /nfs/dbraw/zinc/01/80/08/590018008.db2.gz DJDSLZAFSDEZPG-MSOLQXFVSA-N 1 1 342.443 0.496 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000863497730 590018011 /nfs/dbraw/zinc/01/80/11/590018011.db2.gz DJDSLZAFSDEZPG-MSOLQXFVSA-N 1 1 342.443 0.496 20 30 ECEDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(C)cc1C#N ZINC000871808212 590087608 /nfs/dbraw/zinc/08/76/08/590087608.db2.gz WCOVJIZXBPDTLN-CYBMUJFWSA-N 1 1 337.401 0.392 20 30 ECEDMO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)ccc1C#N ZINC000872616924 590133818 /nfs/dbraw/zinc/13/38/18/590133818.db2.gz KYEMRVWYKROZMG-LSDHHAIUSA-N 1 1 335.429 0.696 20 30 ECEDMO N#CCCN1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000865267504 590137412 /nfs/dbraw/zinc/13/74/12/590137412.db2.gz OXFVKLYUCHZVNC-UHFFFAOYSA-N 1 1 325.482 0.114 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000873502225 590191226 /nfs/dbraw/zinc/19/12/26/590191226.db2.gz RDOWEKSVHWDZKI-UTUOFQBUSA-N 1 1 332.322 0.942 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000873936029 590212476 /nfs/dbraw/zinc/21/24/76/590212476.db2.gz DHVYTCCDPXMLML-QWHCGFSZSA-N 1 1 346.362 0.222 20 30 ECEDMO CON=C(C(=O)NCC[N@H+]1CCC[C@H](C)C1)c1csc(N)n1 ZINC000874040795 590218348 /nfs/dbraw/zinc/21/83/48/590218348.db2.gz GFFLBGCTEMLCDV-JTQLQIEISA-N 1 1 325.438 0.924 20 30 ECEDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000874365751 590235138 /nfs/dbraw/zinc/23/51/38/590235138.db2.gz DFSKVIHPOPWTAE-CHWSQXEVSA-N 1 1 330.392 0.430 20 30 ECEDMO CON=C(C(=O)NCC[NH+]1CCSCC1)c1csc(N)n1 ZINC000874462224 590242185 /nfs/dbraw/zinc/24/21/85/590242185.db2.gz HVGSPPHEKVPSIZ-UHFFFAOYSA-N 1 1 329.451 0.241 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000875121639 590272682 /nfs/dbraw/zinc/27/26/82/590272682.db2.gz CINPWMLTWOALRO-CABCVRRESA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000875139391 590274887 /nfs/dbraw/zinc/27/48/87/590274887.db2.gz ZHDMLSXWOYDDEY-JKSUJKDBSA-N 1 1 337.464 0.768 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC[C@H]21 ZINC000875166503 590277454 /nfs/dbraw/zinc/27/74/54/590277454.db2.gz VOBNSCWXDNNBJI-GOEBONIOSA-N 1 1 344.390 0.866 20 30 ECEDMO C=CC(C)(C)CCCNC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000875182796 590279292 /nfs/dbraw/zinc/27/92/92/590279292.db2.gz YWHYVCWTZDAVCD-AWEZNQCLSA-N 1 1 325.453 0.932 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000875207355 590281885 /nfs/dbraw/zinc/28/18/85/590281885.db2.gz XKGBWGWOTHJFMS-WBVHZDCISA-N 1 1 345.443 0.778 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000875306883 590291682 /nfs/dbraw/zinc/29/16/82/590291682.db2.gz GQKHKLCMUQOWIT-BRWVUGGUSA-N 1 1 343.427 0.703 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000875379690 590297533 /nfs/dbraw/zinc/29/75/33/590297533.db2.gz INAJRBBJYJSVSY-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000875398392 590298826 /nfs/dbraw/zinc/29/88/26/590298826.db2.gz KZJRXNMBCCEWCY-DLBZAZTESA-N 1 1 325.412 0.837 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000875504036 590306454 /nfs/dbraw/zinc/30/64/54/590306454.db2.gz MZWPPXFGSAKXGU-GDBMZVCRSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000875596841 590312389 /nfs/dbraw/zinc/31/23/89/590312389.db2.gz UNTIAIGHYORFOR-BZUAXINKSA-N 1 1 337.464 0.720 20 30 ECEDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000879484452 590314516 /nfs/dbraw/zinc/31/45/16/590314516.db2.gz XCARUOHUDHHAGL-RDJZCZTQSA-N 1 1 329.356 0.985 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000875623165 590316265 /nfs/dbraw/zinc/31/62/65/590316265.db2.gz NTUDSGVJKCAGQZ-OAHLLOKOSA-N 1 1 334.464 0.888 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531703 590319068 /nfs/dbraw/zinc/31/90/68/590319068.db2.gz KIZKEDULIOWNGG-UPJWGTAASA-N 1 1 332.404 0.264 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000880018419 590361510 /nfs/dbraw/zinc/36/15/10/590361510.db2.gz BVGFONBQAJEHCQ-CQSZACIVSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)N2CCCC[C@@H]2C(=O)OCC)CC1 ZINC000880477593 590395257 /nfs/dbraw/zinc/39/52/57/590395257.db2.gz KZPDRAQLIZSDAF-OAHLLOKOSA-N 1 1 336.432 0.781 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC=C[C@H]2CO)CC1 ZINC000880488582 590396725 /nfs/dbraw/zinc/39/67/25/590396725.db2.gz HWPFQYZLXJVEQT-GJZGRUSLSA-N 1 1 346.456 0.690 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC=C[C@H]2CO)CC1 ZINC000880488582 590396728 /nfs/dbraw/zinc/39/67/28/590396728.db2.gz HWPFQYZLXJVEQT-GJZGRUSLSA-N 1 1 346.456 0.690 20 30 ECEDMO COCC[NH+]1CCC(NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876734695 590405419 /nfs/dbraw/zinc/40/54/19/590405419.db2.gz IUKFQTFYYMAEPB-GOSISDBHSA-N 1 1 342.443 0.972 20 30 ECEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879156398 590567331 /nfs/dbraw/zinc/56/73/31/590567331.db2.gz RWPNTIIPWCNKDH-XWIAVFTESA-N 1 1 341.367 0.757 20 30 ECEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879156398 590567334 /nfs/dbraw/zinc/56/73/34/590567334.db2.gz RWPNTIIPWCNKDH-XWIAVFTESA-N 1 1 341.367 0.757 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)co1 ZINC000882638178 590567466 /nfs/dbraw/zinc/56/74/66/590567466.db2.gz GKRDGEBGVXPZRO-OAHLLOKOSA-N 1 1 332.404 0.678 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884956690 590654486 /nfs/dbraw/zinc/65/44/86/590654486.db2.gz DPTCYUWIKHCQLA-ZIAGYGMSSA-N 1 1 330.454 0.310 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000884163239 590759395 /nfs/dbraw/zinc/75/93/95/590759395.db2.gz ASEANNLIDCOLEQ-VXGBXAGGSA-N 1 1 346.353 0.546 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000884163239 590759398 /nfs/dbraw/zinc/75/93/98/590759398.db2.gz ASEANNLIDCOLEQ-VXGBXAGGSA-N 1 1 346.353 0.546 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000884220561 590780481 /nfs/dbraw/zinc/78/04/81/590780481.db2.gz WQDONZRTYXRXFM-SOUVJXGZSA-N 1 1 339.436 0.193 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000884255919 590789768 /nfs/dbraw/zinc/78/97/68/590789768.db2.gz PRFTTZABALAXCF-RRFJBIMHSA-N 1 1 336.436 0.019 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000884255919 590789772 /nfs/dbraw/zinc/78/97/72/590789772.db2.gz PRFTTZABALAXCF-RRFJBIMHSA-N 1 1 336.436 0.019 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2COC3(CCOCC3)O2)C1 ZINC000884258756 590790607 /nfs/dbraw/zinc/79/06/07/590790607.db2.gz CWHZFPBFHKETKX-CABCVRRESA-N 1 1 337.420 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2COC3(CCOCC3)O2)C1 ZINC000884258756 590790608 /nfs/dbraw/zinc/79/06/08/590790608.db2.gz CWHZFPBFHKETKX-CABCVRRESA-N 1 1 337.420 0.305 20 30 ECEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CCC1 ZINC000886179098 590802469 /nfs/dbraw/zinc/80/24/69/590802469.db2.gz MWRQLTIGEZEYPJ-CABCVRRESA-N 1 1 341.477 0.931 20 30 ECEDMO C[C@]1(C#N)CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000887671093 590990399 /nfs/dbraw/zinc/99/03/99/590990399.db2.gz NSRWFCJCTUIPFD-IBGZPJMESA-N 1 1 342.443 0.945 20 30 ECEDMO C[C@@]1(C#N)CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000887676582 590991175 /nfs/dbraw/zinc/99/11/75/590991175.db2.gz GUQCZVCACHTKNE-QZTJIDSGSA-N 1 1 329.400 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2COc3ccccc3[C@H]2O)C1 ZINC000890365649 591151569 /nfs/dbraw/zinc/15/15/69/591151569.db2.gz XHORXZXSHJYWIY-JLJPHGGASA-N 1 1 329.400 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2COc3ccccc3[C@H]2O)C1 ZINC000890365649 591151574 /nfs/dbraw/zinc/15/15/74/591151574.db2.gz XHORXZXSHJYWIY-JLJPHGGASA-N 1 1 329.400 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC([C@H](F)C(=O)OCC)C2)C1 ZINC000890363708 591151660 /nfs/dbraw/zinc/15/16/60/591151660.db2.gz RSBTXUSRWULTSF-KGLIPLIRSA-N 1 1 325.384 0.627 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC([C@H](F)C(=O)OCC)C2)C1 ZINC000890363708 591151663 /nfs/dbraw/zinc/15/16/63/591151663.db2.gz RSBTXUSRWULTSF-KGLIPLIRSA-N 1 1 325.384 0.627 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(CC#N)n3)CC[C@H]21 ZINC000890431052 591158243 /nfs/dbraw/zinc/15/82/43/591158243.db2.gz ZDPFESLLPQMACT-GXTWGEPZSA-N 1 1 327.388 0.639 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)CC[C@@H]2C1 ZINC000946580618 611352883 /nfs/dbraw/zinc/35/28/83/611352883.db2.gz FTEKMZHUNCVXGM-GASCZTMLSA-N 1 1 331.420 0.342 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)CC[C@@H]2C1 ZINC000946597924 611359642 /nfs/dbraw/zinc/35/96/42/611359642.db2.gz QBLZOTOEEIBGSL-OKILXGFUSA-N 1 1 346.435 0.124 20 30 ECEDMO N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597919 611359678 /nfs/dbraw/zinc/35/96/78/611359678.db2.gz PYKMCXQGRQMVEM-YVSFHVDLSA-N 1 1 332.448 0.544 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC[C@@H]2C1 ZINC000946626129 611371453 /nfs/dbraw/zinc/37/14/53/611371453.db2.gz OGMGJKJUDUTQDR-MJBXVCDLSA-N 1 1 334.420 0.331 20 30 ECEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000929988855 611375725 /nfs/dbraw/zinc/37/57/25/611375725.db2.gz XKRVWYIEMJAFEO-ROUUACIJSA-N 1 1 345.443 0.771 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C ZINC000948010808 611383299 /nfs/dbraw/zinc/38/32/99/611383299.db2.gz DGBHBPYNFBMVPN-UONOGXRCSA-N 1 1 336.436 0.816 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946668326 611404139 /nfs/dbraw/zinc/40/41/39/611404139.db2.gz WFMGVQGMTILWPH-QLFBSQMISA-N 1 1 326.462 0.778 20 30 ECEDMO CS(=O)(=O)N1CC(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000930543435 611442228 /nfs/dbraw/zinc/44/22/28/611442228.db2.gz UYMQCJLTXONADQ-AWEZNQCLSA-N 1 1 336.417 0.298 20 30 ECEDMO C#CC[C@H]1NC(=O)N(C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1=O ZINC000925278248 611464452 /nfs/dbraw/zinc/46/44/52/611464452.db2.gz QQWNKJSTZZLJQN-KGLIPLIRSA-N 1 1 346.456 0.980 20 30 ECEDMO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000946770336 611465085 /nfs/dbraw/zinc/46/50/85/611465085.db2.gz LOWZTICVATZBQH-NUEKZKHPSA-N 1 1 333.432 0.226 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000930820391 611468938 /nfs/dbraw/zinc/46/89/38/611468938.db2.gz OATIMRXJEJKJGH-KGLIPLIRSA-N 1 1 336.436 0.100 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000948277945 611499034 /nfs/dbraw/zinc/49/90/34/611499034.db2.gz NZBJEZABXISZEY-GXTWGEPZSA-N 1 1 331.420 0.947 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C ZINC000947370673 611502143 /nfs/dbraw/zinc/50/21/43/611502143.db2.gz VFDYJUFSZBZVNI-HUUCEWRRSA-N 1 1 348.447 0.482 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C ZINC000947370674 611502200 /nfs/dbraw/zinc/50/22/00/611502200.db2.gz VFDYJUFSZBZVNI-LSDHHAIUSA-N 1 1 348.447 0.482 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000948293697 611505823 /nfs/dbraw/zinc/50/58/23/611505823.db2.gz ZWANMNPUKTYGFR-HNNXBMFYSA-N 1 1 340.427 0.735 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000931594553 611551793 /nfs/dbraw/zinc/55/17/93/611551793.db2.gz OGXCZTATJUUTSH-AWEZNQCLSA-N 1 1 332.379 0.914 20 30 ECEDMO COC1(OC)CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H]1O ZINC000931631182 611558525 /nfs/dbraw/zinc/55/85/25/611558525.db2.gz CFWRQVVJKFLNHH-GOEBONIOSA-N 1 1 336.388 0.354 20 30 ECEDMO COC1(OC)CCOC[C@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000931669019 611563920 /nfs/dbraw/zinc/56/39/20/611563920.db2.gz WKTUHLNRCUPKFN-OAHLLOKOSA-N 1 1 333.388 0.542 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1C ZINC000947569893 611600789 /nfs/dbraw/zinc/60/07/89/611600789.db2.gz RILDQFRPSNEGGM-OAGGEKHMSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1C ZINC000947569893 611600791 /nfs/dbraw/zinc/60/07/91/611600791.db2.gz RILDQFRPSNEGGM-OAGGEKHMSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@H]1C ZINC000947592959 611610785 /nfs/dbraw/zinc/61/07/85/611610785.db2.gz IFYKOGFJEBJFAC-CABCVRRESA-N 1 1 341.415 0.488 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC000949385895 608663691 /nfs/dbraw/zinc/66/36/91/608663691.db2.gz HDKVUVYPEAKWAC-UHFFFAOYSA-N 1 1 344.415 0.606 20 30 ECEDMO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000932639514 611647044 /nfs/dbraw/zinc/64/70/44/611647044.db2.gz QAYDMJOWSPWUEP-ZDUSSCGKSA-N 1 1 330.388 0.985 20 30 ECEDMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000932639514 611647046 /nfs/dbraw/zinc/64/70/46/611647046.db2.gz QAYDMJOWSPWUEP-ZDUSSCGKSA-N 1 1 330.388 0.985 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 ZINC000949441412 608680090 /nfs/dbraw/zinc/68/00/90/608680090.db2.gz SXTVMDMEEGLZPY-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC000936505816 608692501 /nfs/dbraw/zinc/69/25/01/608692501.db2.gz NRUKMWPRONWIMX-CABCVRRESA-N 1 1 347.415 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC000936505816 608692505 /nfs/dbraw/zinc/69/25/05/608692505.db2.gz NRUKMWPRONWIMX-CABCVRRESA-N 1 1 347.415 0.032 20 30 ECEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000933099184 608712354 /nfs/dbraw/zinc/71/23/54/608712354.db2.gz SWFAGOMEFVBRIA-OAHLLOKOSA-N 1 1 334.445 0.822 20 30 ECEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000933099184 608712355 /nfs/dbraw/zinc/71/23/55/608712355.db2.gz SWFAGOMEFVBRIA-OAHLLOKOSA-N 1 1 334.445 0.822 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cnco2)CC1 ZINC000947227746 608742400 /nfs/dbraw/zinc/74/24/00/608742400.db2.gz FAVVXHAMFUARJR-AWEZNQCLSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cnco2)CC1 ZINC000947227746 608742404 /nfs/dbraw/zinc/74/24/04/608742404.db2.gz FAVVXHAMFUARJR-AWEZNQCLSA-N 1 1 330.388 0.493 20 30 ECEDMO COC(=O)CCN1CC[C@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000933644526 608767020 /nfs/dbraw/zinc/76/70/20/608767020.db2.gz AFVOGQUBGFBQBH-AWEZNQCLSA-N 1 1 336.388 0.488 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@@H]1C ZINC000947796409 608781809 /nfs/dbraw/zinc/78/18/09/608781809.db2.gz LTCBWZYSYMWMPK-LSDHHAIUSA-N 1 1 346.435 0.171 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CCOCC2)CC1 ZINC000947229496 608791662 /nfs/dbraw/zinc/79/16/62/608791662.db2.gz CPLRQXGABBXZEI-KRWDZBQOSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=CCOCC2)CC1 ZINC000947229496 608791663 /nfs/dbraw/zinc/79/16/63/608791663.db2.gz CPLRQXGABBXZEI-KRWDZBQOSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=COCCO2)CC1 ZINC000947229505 608791702 /nfs/dbraw/zinc/79/17/02/608791702.db2.gz CQAPTBBMFBGMCF-HNNXBMFYSA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=COCCO2)CC1 ZINC000947229505 608791704 /nfs/dbraw/zinc/79/17/04/608791704.db2.gz CQAPTBBMFBGMCF-HNNXBMFYSA-N 1 1 347.415 0.079 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@@H](C)C2)c1 ZINC000947710436 611662273 /nfs/dbraw/zinc/66/22/73/611662273.db2.gz MTTVZTVJMQYJBD-BBRMVZONSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@@H](C)C2)c1 ZINC000947710436 611662276 /nfs/dbraw/zinc/66/22/76/611662276.db2.gz MTTVZTVJMQYJBD-BBRMVZONSA-N 1 1 338.415 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cccnc2)CC1 ZINC000947230886 608826272 /nfs/dbraw/zinc/82/62/72/608826272.db2.gz WVPOADZGUVIUDO-KRWDZBQOSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cccnc2)CC1 ZINC000947230886 608826273 /nfs/dbraw/zinc/82/62/73/608826273.db2.gz WVPOADZGUVIUDO-KRWDZBQOSA-N 1 1 340.427 0.900 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C[C@@H]1C ZINC000947730264 611669002 /nfs/dbraw/zinc/66/90/02/611669002.db2.gz CDBSRKIPSCFITO-KBPBESRZSA-N 1 1 330.432 0.957 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cnnn1C ZINC000947204463 608917502 /nfs/dbraw/zinc/91/75/02/608917502.db2.gz DHKOGYFAGGVEMD-YPMHNXCESA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cnnn1C ZINC000947204463 608917504 /nfs/dbraw/zinc/91/75/04/608917504.db2.gz DHKOGYFAGGVEMD-YPMHNXCESA-N 1 1 327.392 0.798 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937061225 608937070 /nfs/dbraw/zinc/93/70/70/608937070.db2.gz HTFOCQIRXVYMJX-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000947307149 608937165 /nfs/dbraw/zinc/93/71/65/608937165.db2.gz WIAWHFIYZIEEHH-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937065177 608945792 /nfs/dbraw/zinc/94/57/92/608945792.db2.gz OZPHBCNLUOLKAM-CYBMUJFWSA-N 1 1 326.360 0.525 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000937197460 609034088 /nfs/dbraw/zinc/03/40/88/609034088.db2.gz HKJNQLACNWDBGE-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937198295 609035223 /nfs/dbraw/zinc/03/52/23/609035223.db2.gz VHOQIJYSVWKXGA-HNNXBMFYSA-N 1 1 340.387 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC000937721198 609042514 /nfs/dbraw/zinc/04/25/14/609042514.db2.gz GQNYBJCTDOHLIW-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC000937721198 609042517 /nfs/dbraw/zinc/04/25/17/609042517.db2.gz GQNYBJCTDOHLIW-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)c1nnn(C)n1)CCO2 ZINC000949162091 609098342 /nfs/dbraw/zinc/09/83/42/609098342.db2.gz LDVUYAXRAGNKMT-UHFFFAOYSA-N 1 1 340.815 0.270 20 30 ECEDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)NCC#CCO ZINC000923768935 609102793 /nfs/dbraw/zinc/10/27/93/609102793.db2.gz JJIGFMLKYDOIFH-GOEBONIOSA-N 1 1 333.436 0.440 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000947310282 609116523 /nfs/dbraw/zinc/11/65/23/609116523.db2.gz ORSSPVWUHHFHIE-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000928455733 611690550 /nfs/dbraw/zinc/69/05/50/611690550.db2.gz UIMNZZCZSTXEPX-WFASDCNBSA-N 1 1 335.429 0.421 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000932965676 611695565 /nfs/dbraw/zinc/69/55/65/611695565.db2.gz QEOGOJOAYVJPHH-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC000937952626 609417231 /nfs/dbraw/zinc/41/72/31/609417231.db2.gz FOQWPEAHXGRWCP-XHSDSOJGSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC000937952626 609417234 /nfs/dbraw/zinc/41/72/34/609417234.db2.gz FOQWPEAHXGRWCP-XHSDSOJGSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cc(C)n[nH]2)C1 ZINC000938170405 609481689 /nfs/dbraw/zinc/48/16/89/609481689.db2.gz HFLDVPUIROHBQF-HOCLYGCPSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cc(C)n[nH]2)C1 ZINC000938170405 609481692 /nfs/dbraw/zinc/48/16/92/609481692.db2.gz HFLDVPUIROHBQF-HOCLYGCPSA-N 1 1 343.431 0.075 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@@H]1C ZINC000947809371 611700620 /nfs/dbraw/zinc/70/06/20/611700620.db2.gz BNRUYASYCMTYDB-KBPBESRZSA-N 1 1 341.415 0.937 20 30 ECEDMO N#CCC1(CS(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000908015082 609637494 /nfs/dbraw/zinc/63/74/94/609637494.db2.gz MXWFTNXAPMXDSO-KBPBESRZSA-N 1 1 327.450 0.541 20 30 ECEDMO C=C(CC[NH+](C)C)C(=O)Nc1ccc(O)c(S(=O)(=O)NC)c1 ZINC000908069491 609643194 /nfs/dbraw/zinc/64/31/94/609643194.db2.gz USOURQKQPFLFHN-UHFFFAOYSA-N 1 1 327.406 0.747 20 30 ECEDMO C=CCn1c(-c2cnsn2)nnc1N1CC[NH+](CCOC)CC1 ZINC000908714169 609659085 /nfs/dbraw/zinc/65/90/85/609659085.db2.gz HKBAXLIJYSARCF-UHFFFAOYSA-N 1 1 335.437 0.751 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000920012044 609669724 /nfs/dbraw/zinc/66/97/24/609669724.db2.gz ZXMVZOWNQXLSTP-ABAIWWIYSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920012044 609669725 /nfs/dbraw/zinc/66/97/25/609669725.db2.gz ZXMVZOWNQXLSTP-ABAIWWIYSA-N 1 1 340.424 0.610 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)C1 ZINC000923599271 609674890 /nfs/dbraw/zinc/67/48/90/609674890.db2.gz SWUMUBAPTFUELJ-QJPTWQEYSA-N 1 1 331.338 0.515 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)C1 ZINC000923599271 609674891 /nfs/dbraw/zinc/67/48/91/609674891.db2.gz SWUMUBAPTFUELJ-QJPTWQEYSA-N 1 1 331.338 0.515 20 30 ECEDMO C[N@@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@H]1CO ZINC000913547245 609686559 /nfs/dbraw/zinc/68/65/59/609686559.db2.gz JNJVERIMBJXNDE-HNNXBMFYSA-N 1 1 344.415 0.802 20 30 ECEDMO C[N@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@H]1CO ZINC000913547245 609686560 /nfs/dbraw/zinc/68/65/60/609686560.db2.gz JNJVERIMBJXNDE-HNNXBMFYSA-N 1 1 344.415 0.802 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cn(C)nc2C)CC1 ZINC000948825878 609759024 /nfs/dbraw/zinc/75/90/24/609759024.db2.gz WLXYFOVLSFVJNR-KRWDZBQOSA-N 1 1 329.448 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cn(C)nc2C)CC1 ZINC000948825878 609759025 /nfs/dbraw/zinc/75/90/25/609759025.db2.gz WLXYFOVLSFVJNR-KRWDZBQOSA-N 1 1 329.448 0.470 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C[C@@H]1C ZINC000948035625 609778981 /nfs/dbraw/zinc/77/89/81/609778981.db2.gz HJOZABUFOHZSPB-UONOGXRCSA-N 1 1 326.404 0.659 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000938536775 609854435 /nfs/dbraw/zinc/85/44/35/609854435.db2.gz GLIDRYFDWNARLG-NVXWUHKLSA-N 1 1 340.427 0.688 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938539260 609857080 /nfs/dbraw/zinc/85/70/80/609857080.db2.gz GICQRHYQAVRSDD-ZIAGYGMSSA-N 1 1 329.404 0.511 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000938539291 609857126 /nfs/dbraw/zinc/85/71/26/609857126.db2.gz GTJTTXCBPMFBJY-CVEARBPZSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000938540601 609858776 /nfs/dbraw/zinc/85/87/76/609858776.db2.gz YYZQTPXJSYZMHP-RDJZCZTQSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000914251051 609869997 /nfs/dbraw/zinc/86/99/97/609869997.db2.gz JVGSWAXTRVCZOJ-QGZVFWFLSA-N 1 1 331.416 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC2=CCOCC2)C1 ZINC000938661738 609924776 /nfs/dbraw/zinc/92/47/76/609924776.db2.gz DPWSUNRLZJQSFF-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC2=CCOCC2)C1 ZINC000938661738 609924779 /nfs/dbraw/zinc/92/47/79/609924779.db2.gz DPWSUNRLZJQSFF-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)cn1C ZINC000915905844 609927030 /nfs/dbraw/zinc/92/70/30/609927030.db2.gz UOBCKSGXQYBVFF-UHFFFAOYSA-N 1 1 327.406 0.045 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC000938705562 609953905 /nfs/dbraw/zinc/95/39/05/609953905.db2.gz TZNOHEOTTFMRND-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000938754882 609973342 /nfs/dbraw/zinc/97/33/42/609973342.db2.gz PXQFXPUBWGCZAS-BBWFWOEESA-N 1 1 346.475 0.238 20 30 ECEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912747861 610000655 /nfs/dbraw/zinc/00/06/55/610000655.db2.gz VVPCKCHMJZQMFH-HNNXBMFYSA-N 1 1 347.415 0.861 20 30 ECEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912747861 610000659 /nfs/dbraw/zinc/00/06/59/610000659.db2.gz VVPCKCHMJZQMFH-HNNXBMFYSA-N 1 1 347.415 0.861 20 30 ECEDMO N#Cc1cc(F)cc(C2(C(=O)NC[C@@]3(CO)COCC[NH2+]3)CC2)c1 ZINC000913182598 610046132 /nfs/dbraw/zinc/04/61/32/610046132.db2.gz ZSLQKQPDJBPAJM-MRXNPFEDSA-N 1 1 333.363 0.196 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCN3C)C2)CC1 ZINC000939751211 610114908 /nfs/dbraw/zinc/11/49/08/610114908.db2.gz MLAJVGQMBWDRPZ-SJORKVTESA-N 1 1 346.475 0.143 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000939756866 610123060 /nfs/dbraw/zinc/12/30/60/610123060.db2.gz ATWUKVXIGOTIPW-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cn(CC)nn3)C2)nn1 ZINC000939277386 610146624 /nfs/dbraw/zinc/14/66/24/610146624.db2.gz OXEAJFKPAJTXGM-OCCSQVGLSA-N 1 1 344.423 0.326 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)C1 ZINC000939966297 610178791 /nfs/dbraw/zinc/17/87/91/610178791.db2.gz SEBWSKRCERWJIK-KFWWJZLASA-N 1 1 335.448 0.636 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)C1 ZINC000939966297 610178792 /nfs/dbraw/zinc/17/87/92/610178792.db2.gz SEBWSKRCERWJIK-KFWWJZLASA-N 1 1 335.448 0.636 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940098831 610208080 /nfs/dbraw/zinc/20/80/80/610208080.db2.gz KHNRJMXWGUEDJA-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC000940571154 610299912 /nfs/dbraw/zinc/29/99/12/610299912.db2.gz DQNSIVCSICSNPV-IRXDYDNUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC000940571154 610299913 /nfs/dbraw/zinc/29/99/13/610299913.db2.gz DQNSIVCSICSNPV-IRXDYDNUSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cn3cc(C4CC4)nn3)CC2)C1 ZINC000941432922 610313305 /nfs/dbraw/zinc/31/33/05/610313305.db2.gz IHRMTIVJRCLTPS-UHFFFAOYSA-N 1 1 330.436 0.170 20 30 ECEDMO C=CCOc1ccccc1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941460833 610320388 /nfs/dbraw/zinc/32/03/88/610320388.db2.gz VAKPCQMEQNAXGZ-UHFFFAOYSA-N 1 1 345.443 0.686 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)C1 ZINC000941462830 610321347 /nfs/dbraw/zinc/32/13/47/610321347.db2.gz HJSFMAUJQHATGZ-MRXNPFEDSA-N 1 1 341.459 0.297 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCn4nccc43)CC2)C1 ZINC000941463353 610321752 /nfs/dbraw/zinc/32/17/52/610321752.db2.gz SHCKXLGIPJZXIA-QGZVFWFLSA-N 1 1 341.459 0.612 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000940652300 610324356 /nfs/dbraw/zinc/32/43/56/610324356.db2.gz XFJSQMXYBXZRFQ-AWEZNQCLSA-N 1 1 343.431 0.903 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc4ccccn34)CC2)C1 ZINC000941468688 610328796 /nfs/dbraw/zinc/32/87/96/610328796.db2.gz XHIVMCIMOCYVJM-UHFFFAOYSA-N 1 1 325.416 0.962 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C3CCC(C(N)=O)CC3)CC2)C1 ZINC000941468549 610328897 /nfs/dbraw/zinc/32/88/97/610328897.db2.gz UKTAHGBLNHHKKV-UHFFFAOYSA-N 1 1 348.491 0.683 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC000941471514 610329863 /nfs/dbraw/zinc/32/98/63/610329863.db2.gz CDQFWJSGNNCHKC-UHFFFAOYSA-N 1 1 329.448 0.917 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940685697 610335284 /nfs/dbraw/zinc/33/52/84/610335284.db2.gz GLBVZLQVYDJOHN-HUUCEWRRSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(=O)c(OC)co3)CC2)C1 ZINC000941487220 610338655 /nfs/dbraw/zinc/33/86/55/610338655.db2.gz IHNSAIHKTDCHNS-UHFFFAOYSA-N 1 1 333.388 0.276 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN(C2C[NH+](CCn3cncn3)C2)CC1 ZINC000941513735 610352738 /nfs/dbraw/zinc/35/27/38/610352738.db2.gz QAYUFCQNRHQBCD-UHFFFAOYSA-N 1 1 346.479 0.709 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000940753673 610357441 /nfs/dbraw/zinc/35/74/41/610357441.db2.gz PJIJMGBPBNJCMF-ZDUSSCGKSA-N 1 1 348.451 0.560 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C(C)(C)C1 ZINC000940783493 610360038 /nfs/dbraw/zinc/36/00/38/610360038.db2.gz YNCALPFBHRJFHP-ZIAGYGMSSA-N 1 1 333.432 0.764 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000940785958 610360991 /nfs/dbraw/zinc/36/09/91/610360991.db2.gz MCXYURCNEMFXJJ-CQSZACIVSA-N 1 1 343.431 0.903 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4cccnc43)CC2)C1 ZINC000941537740 610367279 /nfs/dbraw/zinc/36/72/79/610367279.db2.gz NRXOBZGXXUMVEC-GOSISDBHSA-N 1 1 338.455 0.963 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940781823 610369023 /nfs/dbraw/zinc/36/90/23/610369023.db2.gz CVHFXRZTFSYUGI-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H](C)C1 ZINC000942285530 610374017 /nfs/dbraw/zinc/37/40/17/610374017.db2.gz DGZPBLFEEKMEFQ-WCQYABFASA-N 1 1 328.372 0.486 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC000941559836 610382445 /nfs/dbraw/zinc/38/24/45/610382445.db2.gz OGDZFMDQXQDGIP-UHFFFAOYSA-N 1 1 330.432 0.403 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940846641 610397810 /nfs/dbraw/zinc/39/78/10/610397810.db2.gz DTKXWLLSMJHPGM-UONOGXRCSA-N 1 1 345.447 0.786 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603196 610403397 /nfs/dbraw/zinc/40/33/97/610403397.db2.gz GEDUFDIEJGDJGH-WMZOPIPTSA-N 1 1 330.476 0.465 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3Cl)CC2)C1 ZINC000941636154 610421688 /nfs/dbraw/zinc/42/16/88/610421688.db2.gz DBZRAUYWRKTSSE-UHFFFAOYSA-N 1 1 335.839 0.539 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)CC2)C1 ZINC000941636409 610422174 /nfs/dbraw/zinc/42/21/74/610422174.db2.gz KZVYKFVFWPTOPB-MRXNPFEDSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCCN(C)C3=O)CC2)C1 ZINC000941636408 610422421 /nfs/dbraw/zinc/42/24/21/610422421.db2.gz KZVYKFVFWPTOPB-INIZCTEOSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn(CCC)nn3)CC2)C1 ZINC000941623303 610427150 /nfs/dbraw/zinc/42/71/50/610427150.db2.gz VIQHXWHZLZJBED-UHFFFAOYSA-N 1 1 330.436 0.153 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](C)C1 ZINC000942390931 610432860 /nfs/dbraw/zinc/43/28/60/610432860.db2.gz CZEMYJZNSBJIQC-LSDHHAIUSA-N 1 1 346.431 0.353 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC000941645238 610438086 /nfs/dbraw/zinc/43/80/86/610438086.db2.gz LTHWRRZUMZARQM-KRWDZBQOSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4cccnc4C3)CC2)C1 ZINC000941651111 610441256 /nfs/dbraw/zinc/44/12/56/610441256.db2.gz SOIXZBZUBFLQIN-QGZVFWFLSA-N 1 1 338.455 0.648 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc(C(N)=O)nc3)CC2)C1 ZINC000941686275 610464170 /nfs/dbraw/zinc/46/41/70/610464170.db2.gz GRKLERHAMJUDBO-UHFFFAOYSA-N 1 1 343.431 0.199 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H](C)C1 ZINC000942527297 610499753 /nfs/dbraw/zinc/49/97/53/610499753.db2.gz KFEOJDSCSHDVIN-YPMHNXCESA-N 1 1 327.388 0.404 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562179 610518100 /nfs/dbraw/zinc/51/81/00/610518100.db2.gz IGVNCECOHWIVKR-ZBFHGGJFSA-N 1 1 338.415 0.702 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)C[C@H]1C ZINC000947903848 610523880 /nfs/dbraw/zinc/52/38/80/610523880.db2.gz PMRSYAPGQXNJAH-KGLIPLIRSA-N 1 1 331.420 0.846 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 ZINC000941068903 610525003 /nfs/dbraw/zinc/52/50/03/610525003.db2.gz VPHLFSKUIOECPX-AWEZNQCLSA-N 1 1 348.447 0.490 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 ZINC000941069132 610525572 /nfs/dbraw/zinc/52/55/72/610525572.db2.gz YZMRKQGXRNILLX-CQSZACIVSA-N 1 1 348.447 0.490 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000941090651 610531329 /nfs/dbraw/zinc/53/13/29/610531329.db2.gz IPRBUCQUVIEQCF-XYEKJYRLSA-N 1 1 348.447 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000941102746 610537450 /nfs/dbraw/zinc/53/74/50/610537450.db2.gz RHPVYRLBNZZWRW-INIZCTEOSA-N 1 1 340.427 0.689 20 30 ECEDMO C[C@H]1C[N@@H+](CCN2CCNC2=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966861 610581660 /nfs/dbraw/zinc/58/16/60/610581660.db2.gz OJBDCXZKZIOQID-JSGCOSHPSA-N 1 1 344.419 0.352 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000941208583 610596844 /nfs/dbraw/zinc/59/68/44/610596844.db2.gz WDTSGLOSSCEORA-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000941215381 610599931 /nfs/dbraw/zinc/59/99/31/610599931.db2.gz RJVQETCYJJDRKD-CQSZACIVSA-N 1 1 343.493 0.120 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 ZINC000941245357 610616093 /nfs/dbraw/zinc/61/60/93/610616093.db2.gz NHOSUFSWYGVCOS-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 ZINC000941245357 610616094 /nfs/dbraw/zinc/61/60/94/610616094.db2.gz NHOSUFSWYGVCOS-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC000941245992 610616738 /nfs/dbraw/zinc/61/67/38/610616738.db2.gz YIILXTKVISZBQK-CJNGLKHVSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC000941245992 610616740 /nfs/dbraw/zinc/61/67/40/610616740.db2.gz YIILXTKVISZBQK-CJNGLKHVSA-N 1 1 343.431 0.400 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000941237136 610621206 /nfs/dbraw/zinc/62/12/06/610621206.db2.gz ITLDTMMIDDSCIG-ZDUSSCGKSA-N 1 1 334.424 0.170 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000941237052 610621242 /nfs/dbraw/zinc/62/12/42/610621242.db2.gz GQHKMYLVOZODBR-CQSZACIVSA-N 1 1 348.451 0.560 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC000941237955 610621457 /nfs/dbraw/zinc/62/14/57/610621457.db2.gz MWWVCCKTWYBSSA-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC000941237955 610621460 /nfs/dbraw/zinc/62/14/60/610621460.db2.gz MWWVCCKTWYBSSA-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cncs2)C1 ZINC000941237953 610621772 /nfs/dbraw/zinc/62/17/72/610621772.db2.gz MVQBAWGRNILTHP-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cncs2)C1 ZINC000941237953 610621775 /nfs/dbraw/zinc/62/17/75/610621775.db2.gz MVQBAWGRNILTHP-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000941238078 610622181 /nfs/dbraw/zinc/62/21/81/610622181.db2.gz SGVHYCNUJAWZMQ-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000941238078 610622183 /nfs/dbraw/zinc/62/21/83/610622183.db2.gz SGVHYCNUJAWZMQ-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942054187 610633435 /nfs/dbraw/zinc/63/34/35/610633435.db2.gz WFYRXBBIMBMTPX-CZUORRHYSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(C)CC2)[C@H](OC)C1 ZINC000942103772 610651882 /nfs/dbraw/zinc/65/18/82/610651882.db2.gz ICHODHXXASOCAH-QLFBSQMISA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(C)CC2)[C@H](OC)C1 ZINC000942103772 610651883 /nfs/dbraw/zinc/65/18/83/610651883.db2.gz ICHODHXXASOCAH-QLFBSQMISA-N 1 1 333.432 0.226 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000941391034 610705258 /nfs/dbraw/zinc/70/52/58/610705258.db2.gz SDODQQHWXJUCDF-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000944148783 610748301 /nfs/dbraw/zinc/74/83/01/610748301.db2.gz XMSWXVBYNKTTOM-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@@H](C)C1 ZINC000944134326 610751332 /nfs/dbraw/zinc/75/13/32/610751332.db2.gz CRBRXRRAKIWNLD-WDEREUQCSA-N 1 1 334.376 0.360 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@H](C)C1 ZINC000944191919 610775985 /nfs/dbraw/zinc/77/59/85/610775985.db2.gz GZKKFPLGXMWZCU-UKRRQHHQSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@]1(C)CCOC1 ZINC000944237851 610804018 /nfs/dbraw/zinc/80/40/18/610804018.db2.gz MFVIELXYDLMMIJ-JTDSTZFVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@]1(C)CCOC1 ZINC000944237851 610804020 /nfs/dbraw/zinc/80/40/20/610804020.db2.gz MFVIELXYDLMMIJ-JTDSTZFVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)CC(C)(C)O)C1 ZINC000943335638 610806905 /nfs/dbraw/zinc/80/69/05/610806905.db2.gz IDDYVCVXGRVBAJ-HOTGVXAUSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)CC(C)(C)O)C1 ZINC000943335638 610806908 /nfs/dbraw/zinc/80/69/08/610806908.db2.gz IDDYVCVXGRVBAJ-HOTGVXAUSA-N 1 1 349.475 0.742 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000944369258 610844733 /nfs/dbraw/zinc/84/47/33/610844733.db2.gz MRLFFGSAUOJIFT-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000944369258 610844734 /nfs/dbraw/zinc/84/47/34/610844734.db2.gz MRLFFGSAUOJIFT-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000944369259 610844897 /nfs/dbraw/zinc/84/48/97/610844897.db2.gz MRLFFGSAUOJIFT-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000944369259 610844899 /nfs/dbraw/zinc/84/48/99/610844899.db2.gz MRLFFGSAUOJIFT-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]2C)nn1 ZINC000943498321 610884364 /nfs/dbraw/zinc/88/43/64/610884364.db2.gz OYCBTXRMWMSMQY-OLZOCXBDSA-N 1 1 334.424 0.040 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C[C@H]2C)nn1 ZINC000943498321 610884365 /nfs/dbraw/zinc/88/43/65/610884365.db2.gz OYCBTXRMWMSMQY-OLZOCXBDSA-N 1 1 334.424 0.040 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 ZINC000943546135 610894255 /nfs/dbraw/zinc/89/42/55/610894255.db2.gz ARGSZYRRUKEYRD-SKDRFNHKSA-N 1 1 327.812 0.618 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 ZINC000943546135 610894258 /nfs/dbraw/zinc/89/42/58/610894258.db2.gz ARGSZYRRUKEYRD-SKDRFNHKSA-N 1 1 327.812 0.618 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 ZINC000944493560 610896600 /nfs/dbraw/zinc/89/66/00/610896600.db2.gz VTHVVWKNZZQPDL-MFKMUULPSA-N 1 1 341.843 0.469 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 ZINC000944493560 610896602 /nfs/dbraw/zinc/89/66/02/610896602.db2.gz VTHVVWKNZZQPDL-MFKMUULPSA-N 1 1 341.843 0.469 20 30 ECEDMO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000943580882 610909131 /nfs/dbraw/zinc/90/91/31/610909131.db2.gz YAFLHKNAQHJNPK-BZUAXINKSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)c2ccoc2)C1 ZINC000944480247 610911232 /nfs/dbraw/zinc/91/12/32/610911232.db2.gz QJLXLXNZMAWQGV-CVEARBPZSA-N 1 1 345.399 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)c2ccoc2)C1 ZINC000944480247 610911235 /nfs/dbraw/zinc/91/12/35/610911235.db2.gz QJLXLXNZMAWQGV-CVEARBPZSA-N 1 1 345.399 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC000944561376 610970368 /nfs/dbraw/zinc/97/03/68/610970368.db2.gz WYTDELLWEWOPRZ-OAGGEKHMSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC000944561376 610970369 /nfs/dbraw/zinc/97/03/69/610970369.db2.gz WYTDELLWEWOPRZ-OAGGEKHMSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H](C)C1 ZINC000943761350 610978892 /nfs/dbraw/zinc/97/88/92/610978892.db2.gz LKBMFABMCZWNLQ-CZUORRHYSA-N 1 1 330.432 0.710 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000944600635 611008048 /nfs/dbraw/zinc/00/80/48/611008048.db2.gz LAMBLRVNWWCLLD-CABCVRRESA-N 1 1 335.448 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2ccoc2)CCO1 ZINC000944646423 611055755 /nfs/dbraw/zinc/05/57/55/611055755.db2.gz HSKKFSCZTDBKPO-HOTGVXAUSA-N 1 1 345.399 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2ccoc2)CCO1 ZINC000944646423 611055757 /nfs/dbraw/zinc/05/57/57/611055757.db2.gz HSKKFSCZTDBKPO-HOTGVXAUSA-N 1 1 345.399 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(F)F)CCO1 ZINC000944646509 611055889 /nfs/dbraw/zinc/05/58/89/611055889.db2.gz IKUPKYBLHLOOGH-OLZOCXBDSA-N 1 1 343.374 0.083 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(F)F)CCO1 ZINC000944646509 611055892 /nfs/dbraw/zinc/05/58/92/611055892.db2.gz IKUPKYBLHLOOGH-OLZOCXBDSA-N 1 1 343.374 0.083 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@H](C)C1 ZINC000944044893 611094049 /nfs/dbraw/zinc/09/40/49/611094049.db2.gz BBZRKNGSQOUZGM-UKRRQHHQSA-N 1 1 331.420 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC000944097446 611130341 /nfs/dbraw/zinc/13/03/41/611130341.db2.gz DFOMNOMJLAPYEU-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC000944097446 611130342 /nfs/dbraw/zinc/13/03/42/611130342.db2.gz DFOMNOMJLAPYEU-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cncn1C ZINC000944099433 611131329 /nfs/dbraw/zinc/13/13/29/611131329.db2.gz JZPSTEDUTQFRLR-CABCVRRESA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cncn1C ZINC000944099433 611131331 /nfs/dbraw/zinc/13/13/31/611131331.db2.gz JZPSTEDUTQFRLR-CABCVRRESA-N 1 1 343.431 0.239 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]2C1 ZINC000946824085 611174259 /nfs/dbraw/zinc/17/42/59/611174259.db2.gz BGQNIGAOCVNLKG-GASCZTMLSA-N 1 1 348.447 0.675 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCN3CCOCC3)CC[C@@H]2C1 ZINC000946824374 611174698 /nfs/dbraw/zinc/17/46/98/611174698.db2.gz KFFLOIYZPJDMJT-HDICACEKSA-N 1 1 333.476 0.902 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)CC[C@@H]2C1 ZINC000946859482 611202662 /nfs/dbraw/zinc/20/26/62/611202662.db2.gz WRYUCNHDSFWAJB-OKILXGFUSA-N 1 1 334.420 0.237 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)CC[C@@H]2C1 ZINC000946878126 611217308 /nfs/dbraw/zinc/21/73/08/611217308.db2.gz JEXAZLUNKHXYNP-FGTMMUONSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)CC[C@@H]2C1 ZINC000946887519 611226974 /nfs/dbraw/zinc/22/69/74/611226974.db2.gz MBPLEQMRLWBIAQ-CALCHBBNSA-N 1 1 346.475 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCOc2cccc(C(N)=O)c2)C1 ZINC000923568894 611264478 /nfs/dbraw/zinc/26/44/78/611264478.db2.gz KQMDCUXNSBJDQM-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCOc2cccc(C(N)=O)c2)C1 ZINC000923568894 611264479 /nfs/dbraw/zinc/26/44/79/611264479.db2.gz KQMDCUXNSBJDQM-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)C1 ZINC000923581829 611269461 /nfs/dbraw/zinc/26/94/61/611269461.db2.gz KPTKTAJIRWIQNQ-GJZGRUSLSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)C1 ZINC000923581829 611269462 /nfs/dbraw/zinc/26/94/62/611269462.db2.gz KPTKTAJIRWIQNQ-GJZGRUSLSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2nn(C)c(=O)c3ccccc23)C1 ZINC000923591778 611271585 /nfs/dbraw/zinc/27/15/85/611271585.db2.gz KBCLEGCRCXYJGX-CQSZACIVSA-N 1 1 338.411 0.690 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2nn(C)c(=O)c3ccccc23)C1 ZINC000923591778 611271586 /nfs/dbraw/zinc/27/15/86/611271586.db2.gz KBCLEGCRCXYJGX-CQSZACIVSA-N 1 1 338.411 0.690 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)C1 ZINC000923594013 611275060 /nfs/dbraw/zinc/27/50/60/611275060.db2.gz FNCINJYERDPGNQ-SCLBCKFNSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)C1 ZINC000923594013 611275061 /nfs/dbraw/zinc/27/50/61/611275061.db2.gz FNCINJYERDPGNQ-SCLBCKFNSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000948647923 611280251 /nfs/dbraw/zinc/28/02/51/611280251.db2.gz NLMYXRJUAYBLSH-LSDHHAIUSA-N 1 1 343.418 0.898 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000834536793 611291570 /nfs/dbraw/zinc/29/15/70/611291570.db2.gz UKQIYLRXHJUWQA-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2CC1 ZINC000946521426 611298901 /nfs/dbraw/zinc/29/89/01/611298901.db2.gz RLQBQSXUQAHGQG-SOUVJXGZSA-N 1 1 333.436 0.342 20 30 ECEDMO NS(=O)(=O)c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)s1 ZINC000844590448 611321200 /nfs/dbraw/zinc/32/12/00/611321200.db2.gz WIZOLKWWVSESPJ-NXEZZACHSA-N 1 1 327.435 0.589 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921911708 611325872 /nfs/dbraw/zinc/32/58/72/611325872.db2.gz RSFYHKKWTRZEHU-TZMCWYRMSA-N 1 1 330.454 0.308 20 30 ECEDMO C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000921955051 611327890 /nfs/dbraw/zinc/32/78/90/611327890.db2.gz CHBNRNHAJYAEQW-JHJVBQTASA-N 1 1 337.424 0.749 20 30 ECEDMO C#CCN1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000922348967 611347753 /nfs/dbraw/zinc/34/77/53/611347753.db2.gz WCSBYZQETLOMQO-UHFFFAOYSA-N 1 1 335.496 0.409 20 30 ECEDMO C#CCN1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000922348967 611347754 /nfs/dbraw/zinc/34/77/54/611347754.db2.gz WCSBYZQETLOMQO-UHFFFAOYSA-N 1 1 335.496 0.409 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630969 611736582 /nfs/dbraw/zinc/73/65/82/611736582.db2.gz WXZSMAWJPBVFTM-QZTJIDSGSA-N 1 1 333.432 0.871 20 30 ECEDMO CS(=O)(=O)N1CC(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000929235716 611738787 /nfs/dbraw/zinc/73/87/87/611738787.db2.gz CQCWZMGSOLQYAO-UHFFFAOYSA-N 1 1 348.472 0.567 20 30 ECEDMO CS(=O)(=O)N1CC(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000929235716 611738789 /nfs/dbraw/zinc/73/87/89/611738789.db2.gz CQCWZMGSOLQYAO-UHFFFAOYSA-N 1 1 348.472 0.567 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000947968766 611759200 /nfs/dbraw/zinc/75/92/00/611759200.db2.gz MMCZHUAMIRTROC-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000949834716 611775443 /nfs/dbraw/zinc/77/54/43/611775443.db2.gz WQLWVPFRGCEMAU-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000949834716 611775446 /nfs/dbraw/zinc/77/54/46/611775446.db2.gz WQLWVPFRGCEMAU-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC000948984606 611785064 /nfs/dbraw/zinc/78/50/64/611785064.db2.gz AHBLXHYCTKLRAU-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC000948984606 611785068 /nfs/dbraw/zinc/78/50/68/611785068.db2.gz AHBLXHYCTKLRAU-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 ZINC000949051966 611829452 /nfs/dbraw/zinc/82/94/52/611829452.db2.gz UFUSAABFBFVQPQ-CYBMUJFWSA-N 1 1 341.839 0.711 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC000950053113 611854128 /nfs/dbraw/zinc/85/41/28/611854128.db2.gz QFYKBWZXVFKWIS-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C1CS(=O)(=O)C1)CCO2 ZINC000949104467 611855648 /nfs/dbraw/zinc/85/56/48/611855648.db2.gz IRVWKZAMABKXLR-UHFFFAOYSA-N 1 1 342.461 0.301 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)[C@H]2CCOC2)CC1 ZINC000949104791 611856129 /nfs/dbraw/zinc/85/61/29/611856129.db2.gz GZDQSIZDWMKXDD-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)[C@H]2CCOC2)CC1 ZINC000949104791 611856131 /nfs/dbraw/zinc/85/61/31/611856131.db2.gz GZDQSIZDWMKXDD-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)no1 ZINC000950753936 611889272 /nfs/dbraw/zinc/88/92/72/611889272.db2.gz OOUHEWWAUPNCTI-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)no1 ZINC000950753936 611889273 /nfs/dbraw/zinc/88/92/73/611889273.db2.gz OOUHEWWAUPNCTI-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)[nH]n1 ZINC000950754175 611889553 /nfs/dbraw/zinc/88/95/53/611889553.db2.gz RSXRPXJAQSUJHE-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)n[nH]1 ZINC000950754175 611889556 /nfs/dbraw/zinc/88/95/56/611889556.db2.gz RSXRPXJAQSUJHE-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)n[nH]1 ZINC000950754175 611889559 /nfs/dbraw/zinc/88/95/59/611889559.db2.gz RSXRPXJAQSUJHE-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1[nH]cnc1C ZINC000950755075 611890691 /nfs/dbraw/zinc/89/06/91/611890691.db2.gz CQLOWIWXVREFEJ-HOCLYGCPSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1[nH]cnc1C ZINC000950755075 611890693 /nfs/dbraw/zinc/89/06/93/611890693.db2.gz CQLOWIWXVREFEJ-HOCLYGCPSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ncoc1CC ZINC000950755022 611890859 /nfs/dbraw/zinc/89/08/59/611890859.db2.gz BRHYGQLDNFDRRK-KGLIPLIRSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ncoc1CC ZINC000950755022 611890860 /nfs/dbraw/zinc/89/08/60/611890860.db2.gz BRHYGQLDNFDRRK-KGLIPLIRSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1(CF)CCC1 ZINC000950755106 611890887 /nfs/dbraw/zinc/89/08/87/611890887.db2.gz DICIJUBTOLSEJQ-GJZGRUSLSA-N 1 1 335.423 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1(CF)CCC1 ZINC000950755106 611890888 /nfs/dbraw/zinc/89/08/88/611890888.db2.gz DICIJUBTOLSEJQ-GJZGRUSLSA-N 1 1 335.423 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1csc(=O)[nH]1 ZINC000950755086 611890929 /nfs/dbraw/zinc/89/09/29/611890929.db2.gz CWPLYDAUQJHMLY-YPMHNXCESA-N 1 1 348.428 0.277 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1csc(=O)[nH]1 ZINC000950755086 611890930 /nfs/dbraw/zinc/89/09/30/611890930.db2.gz CWPLYDAUQJHMLY-YPMHNXCESA-N 1 1 348.428 0.277 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccn(C)c1C ZINC000950755704 611891454 /nfs/dbraw/zinc/89/14/54/611891454.db2.gz RWKIGJJVNUIHFP-WBVHZDCISA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccn(C)c1C ZINC000950755704 611891455 /nfs/dbraw/zinc/89/14/55/611891455.db2.gz RWKIGJJVNUIHFP-WBVHZDCISA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC000950209589 611905962 /nfs/dbraw/zinc/90/59/62/611905962.db2.gz NJJLEFXFUHPDBT-IRXDYDNUSA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC000950209589 611905963 /nfs/dbraw/zinc/90/59/63/611905963.db2.gz NJJLEFXFUHPDBT-IRXDYDNUSA-N 1 1 345.443 0.886 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000950229617 611914082 /nfs/dbraw/zinc/91/40/82/611914082.db2.gz AOMLUVVRJYWNLJ-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000950233838 611918943 /nfs/dbraw/zinc/91/89/43/611918943.db2.gz HWMDRGKBVIKXSQ-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000950246172 611926727 /nfs/dbraw/zinc/92/67/27/611926727.db2.gz SCESLEGKYRLNPI-MRVWCRGKSA-N 1 1 329.404 0.557 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cnn(C)c3)CC2)C1 ZINC000949317631 611937014 /nfs/dbraw/zinc/93/70/14/611937014.db2.gz UZVADZAWOBRHIC-UHFFFAOYSA-N 1 1 330.432 0.679 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)Cc3cnn(C)c3)CC2)C1 ZINC000949317631 611937016 /nfs/dbraw/zinc/93/70/16/611937016.db2.gz UZVADZAWOBRHIC-UHFFFAOYSA-N 1 1 330.432 0.679 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC000949365938 611953502 /nfs/dbraw/zinc/95/35/02/611953502.db2.gz MHXDANOLSFOUOI-UHFFFAOYSA-N 1 1 334.424 0.333 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC000949369980 611954781 /nfs/dbraw/zinc/95/47/81/611954781.db2.gz JDURKXJIQXIRRT-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC000949369980 611954783 /nfs/dbraw/zinc/95/47/83/611954783.db2.gz JDURKXJIQXIRRT-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC000949391720 611962281 /nfs/dbraw/zinc/96/22/81/611962281.db2.gz SWWDQRXHNFPWHQ-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3COCCN3CC)CC2)C1 ZINC000949401927 611966083 /nfs/dbraw/zinc/96/60/83/611966083.db2.gz QMKSZDAQTSJAOH-QGZVFWFLSA-N 1 1 349.475 0.424 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3COCCN3CC)CC2)C1 ZINC000949401927 611966084 /nfs/dbraw/zinc/96/60/84/611966084.db2.gz QMKSZDAQTSJAOH-QGZVFWFLSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CCn3ccnc3)CC2)C1 ZINC000949429685 611977058 /nfs/dbraw/zinc/97/70/58/611977058.db2.gz BQCWCVPXVRHRBL-UHFFFAOYSA-N 1 1 330.432 0.990 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](CCOC)CCO2 ZINC000949477195 611994355 /nfs/dbraw/zinc/99/43/55/611994355.db2.gz RYQADDZKQZBHMC-CVEARBPZSA-N 1 1 338.448 0.917 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000949499241 612008824 /nfs/dbraw/zinc/00/88/24/612008824.db2.gz YQLKQMFPFZFHKA-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC000950436729 612019285 /nfs/dbraw/zinc/01/92/85/612019285.db2.gz UVEXZXBUFSDROK-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC000950436729 612019288 /nfs/dbraw/zinc/01/92/88/612019288.db2.gz UVEXZXBUFSDROK-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC000949536784 612025230 /nfs/dbraw/zinc/02/52/30/612025230.db2.gz LVLIBYILMLLIRR-UHFFFAOYSA-N 1 1 345.447 0.464 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(CCc2ccnn2C)C1 ZINC000950533496 612057681 /nfs/dbraw/zinc/05/76/81/612057681.db2.gz IHGRLSSXUDKFAY-SFHVURJKSA-N 1 1 343.475 0.593 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(CCc2ccnn2C)C1 ZINC000950533496 612057683 /nfs/dbraw/zinc/05/76/83/612057683.db2.gz IHGRLSSXUDKFAY-SFHVURJKSA-N 1 1 343.475 0.593 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000951223661 612088382 /nfs/dbraw/zinc/08/83/82/612088382.db2.gz MXKOZRSPEUTTDG-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000951223661 612088384 /nfs/dbraw/zinc/08/83/84/612088384.db2.gz MXKOZRSPEUTTDG-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cncs2)C1 ZINC000951223707 612088449 /nfs/dbraw/zinc/08/84/49/612088449.db2.gz NYTISYYJAWLAME-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cncs2)C1 ZINC000951223707 612088451 /nfs/dbraw/zinc/08/84/51/612088451.db2.gz NYTISYYJAWLAME-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1conc1C ZINC000951887056 612114301 /nfs/dbraw/zinc/11/43/01/612114301.db2.gz XCSZFKYQVYTQAK-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1conc1C ZINC000951887056 612114303 /nfs/dbraw/zinc/11/43/03/612114303.db2.gz XCSZFKYQVYTQAK-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CCC[C@@H]2C)c1 ZINC000952014437 612177204 /nfs/dbraw/zinc/17/72/04/612177204.db2.gz LVGNBMLKPDCZTP-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000952033524 612191866 /nfs/dbraw/zinc/19/18/66/612191866.db2.gz GFPXNCBCUOLHKO-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000952065272 612210073 /nfs/dbraw/zinc/21/00/73/612210073.db2.gz WVANYTJSWAQHSR-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000952446213 612436563 /nfs/dbraw/zinc/43/65/63/612436563.db2.gz AGBOSAPXHAMTRT-AWEZNQCLSA-N 1 1 329.466 0.519 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1)C2 ZINC000955342051 612466976 /nfs/dbraw/zinc/46/69/76/612466976.db2.gz KHFFFSPOGOEIMS-YPMHNXCESA-N 1 1 329.404 0.583 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCCO2)C1 ZINC000954630360 612467383 /nfs/dbraw/zinc/46/73/83/612467383.db2.gz CWBPLBHPGPVISO-JKSUJKDBSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCCO2)C1 ZINC000954630360 612467387 /nfs/dbraw/zinc/46/73/87/612467387.db2.gz CWBPLBHPGPVISO-JKSUJKDBSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C)nc2)C1 ZINC000954630777 612468499 /nfs/dbraw/zinc/46/84/99/612468499.db2.gz JHRTZFRZYCCRHE-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C)nc2)C1 ZINC000954630777 612468500 /nfs/dbraw/zinc/46/85/00/612468500.db2.gz JHRTZFRZYCCRHE-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nccc(C)n2)C1 ZINC000954631290 612469695 /nfs/dbraw/zinc/46/96/95/612469695.db2.gz VBHSXIQATMYLHL-HNNXBMFYSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nccc(C)n2)C1 ZINC000954631290 612469697 /nfs/dbraw/zinc/46/96/97/612469697.db2.gz VBHSXIQATMYLHL-HNNXBMFYSA-N 1 1 341.415 0.165 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000954047732 612587896 /nfs/dbraw/zinc/58/78/96/612587896.db2.gz OLQSQDDUGXFLFJ-GZBFAFLISA-N 1 1 336.436 0.315 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000954047732 612587898 /nfs/dbraw/zinc/58/78/98/612587898.db2.gz OLQSQDDUGXFLFJ-GZBFAFLISA-N 1 1 336.436 0.315 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954105381 612667541 /nfs/dbraw/zinc/66/75/41/612667541.db2.gz FIIKBBKBSZLUAC-INIZCTEOSA-N 1 1 339.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954105381 612667542 /nfs/dbraw/zinc/66/75/42/612667542.db2.gz FIIKBBKBSZLUAC-INIZCTEOSA-N 1 1 339.399 0.267 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(F)c[nH]2)C1 ZINC000954805038 612699195 /nfs/dbraw/zinc/69/91/95/612699195.db2.gz JRBPHDTWQGORLW-HNNXBMFYSA-N 1 1 332.379 0.534 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(F)c[nH]2)C1 ZINC000954805038 612699197 /nfs/dbraw/zinc/69/91/97/612699197.db2.gz JRBPHDTWQGORLW-HNNXBMFYSA-N 1 1 332.379 0.534 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000956928818 612712325 /nfs/dbraw/zinc/71/23/25/612712325.db2.gz LOVYTEXRKIFPGK-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956935700 612718575 /nfs/dbraw/zinc/71/85/75/612718575.db2.gz YIBMSTWXUXVGEJ-YVEFUNNKSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)nc1 ZINC000956127228 612728432 /nfs/dbraw/zinc/72/84/32/612728432.db2.gz NOVYJRDNTBKEDF-HOTGVXAUSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954932566 612795464 /nfs/dbraw/zinc/79/54/64/612795464.db2.gz ZYUPLEAWYAQATF-KRWDZBQOSA-N 1 1 339.439 0.831 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000954315418 612844406 /nfs/dbraw/zinc/84/44/06/612844406.db2.gz FLZUXSNQTVWKGC-CQSZACIVSA-N 1 1 326.400 0.297 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954319945 612849747 /nfs/dbraw/zinc/84/97/47/612849747.db2.gz CANQJCCUAPKQCX-CQSZACIVSA-N 1 1 330.432 0.909 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000954393988 612889127 /nfs/dbraw/zinc/88/91/27/612889127.db2.gz HXTSHLOUUYDJNC-RDJZCZTQSA-N 1 1 346.431 0.842 20 30 ECEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc(C#N)nc1C)CC2 ZINC001164683613 719733699 /nfs/dbraw/zinc/73/36/99/719733699.db2.gz BDAZWZZWUHXFKH-UHFFFAOYSA-N 1 1 328.420 0.838 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3coc(OC)n3)C2)C1=O ZINC000972015808 735506638 /nfs/dbraw/zinc/50/66/38/735506638.db2.gz GFBHCSZAWBJYKX-TZMCWYRMSA-N 1 1 348.403 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)no2)C1 ZINC000972963648 738405346 /nfs/dbraw/zinc/40/53/46/738405346.db2.gz JCLHVYYUIGGFNZ-IHRRRGAJSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)no2)C1 ZINC000972963648 738405347 /nfs/dbraw/zinc/40/53/47/738405347.db2.gz JCLHVYYUIGGFNZ-IHRRRGAJSA-N 1 1 330.388 0.458 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001104537772 738446772 /nfs/dbraw/zinc/44/67/72/738446772.db2.gz IKLWSMNMABLYCK-ZFWWWQNUSA-N 1 1 331.420 0.851 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001104537772 738446775 /nfs/dbraw/zinc/44/67/75/738446775.db2.gz IKLWSMNMABLYCK-ZFWWWQNUSA-N 1 1 331.420 0.851 20 30 ECEDMO Cc1nsc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001104538152 738447208 /nfs/dbraw/zinc/44/72/08/738447208.db2.gz LFUCNDHPYHTMCA-ZWNOBZJWSA-N 1 1 337.449 0.913 20 30 ECEDMO Cc1nsc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001104538152 738447210 /nfs/dbraw/zinc/44/72/10/738447210.db2.gz LFUCNDHPYHTMCA-ZWNOBZJWSA-N 1 1 337.449 0.913 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCc1cnon1 ZINC001024987835 738462396 /nfs/dbraw/zinc/46/23/96/738462396.db2.gz WKEMAOSVKWIJKT-HOTGVXAUSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCc1cnon1 ZINC001024987835 738462397 /nfs/dbraw/zinc/46/23/97/738462397.db2.gz WKEMAOSVKWIJKT-HOTGVXAUSA-N 1 1 331.420 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)nc1 ZINC001041793097 782219497 /nfs/dbraw/zinc/21/94/97/782219497.db2.gz DJKQPIOYHKZBPF-APWZRJJASA-N 1 1 338.411 0.489 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C2(N3CCOCC3)CCC2)CC1 ZINC001098521074 731594288 /nfs/dbraw/zinc/59/42/88/731594288.db2.gz QLQJMOGTDUTMEM-UHFFFAOYSA-N 1 1 349.475 0.160 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cnns3)C2)C1=O ZINC000969349377 731745818 /nfs/dbraw/zinc/74/58/18/731745818.db2.gz QQHUJBWIRHHOHC-CMPLNLGQSA-N 1 1 335.433 0.375 20 30 ECEDMO COCCC(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001111963832 738556698 /nfs/dbraw/zinc/55/66/98/738556698.db2.gz XQNGYXFHCGDIKO-OAHLLOKOSA-N 1 1 344.419 0.108 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc(OC)no3)C2)C1=O ZINC000969521252 731942591 /nfs/dbraw/zinc/94/25/91/731942591.db2.gz DKVFPUNAPDLPLW-WCQYABFASA-N 1 1 348.403 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC000973077524 738645920 /nfs/dbraw/zinc/64/59/20/738645920.db2.gz VKXYISQHDGEPPA-JYJNAYRXSA-N 1 1 343.431 0.053 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC000973077524 738645924 /nfs/dbraw/zinc/64/59/24/738645924.db2.gz VKXYISQHDGEPPA-JYJNAYRXSA-N 1 1 343.431 0.053 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001041824909 782279024 /nfs/dbraw/zinc/27/90/24/782279024.db2.gz YZUSJORCWXYONI-KRWDZBQOSA-N 1 1 327.388 0.137 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CC(=O)NCC2CC2)CC1 ZINC001098528453 732877108 /nfs/dbraw/zinc/87/71/08/732877108.db2.gz FRPRRBBQUQKBTN-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)CCCCC(N)=O)CC1 ZINC001098528734 732891693 /nfs/dbraw/zinc/89/16/93/732891693.db2.gz OIBYGCHVSCRMRX-UHFFFAOYSA-N 1 1 325.453 0.894 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001039114803 732962381 /nfs/dbraw/zinc/96/23/81/732962381.db2.gz HGUCSBUUDCMIHR-SWLSCSKDSA-N 1 1 343.431 0.934 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N3CCOCC3)C2)C1 ZINC001041838672 782317036 /nfs/dbraw/zinc/31/70/36/782317036.db2.gz CVICXNAYAGYTEN-PKOBYXMFSA-N 1 1 331.460 0.655 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC001125370802 733179129 /nfs/dbraw/zinc/17/91/29/733179129.db2.gz VLYOOPPIKHLYPI-UHFFFAOYSA-N 1 1 335.371 0.987 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nncn3C)C2)nn1 ZINC000970204578 733198004 /nfs/dbraw/zinc/19/80/04/733198004.db2.gz TYZCDYJGEVPZCD-NWDGAFQWSA-N 1 1 330.396 0.158 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nccc(C)n3)C2)nn1 ZINC000970205765 733198946 /nfs/dbraw/zinc/19/89/46/733198946.db2.gz MSRSPWZYOKBHAH-CYBMUJFWSA-N 1 1 327.392 0.567 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC001041853912 782339974 /nfs/dbraw/zinc/33/99/74/782339974.db2.gz SVVQVOXBUHWJES-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO CCc1cc(C(=O)N2CCC([N@H+](CC#CCOC)CCO)CC2)no1 ZINC001098536647 733381040 /nfs/dbraw/zinc/38/10/40/733381040.db2.gz QIDWIAKPXHGKKX-UHFFFAOYSA-N 1 1 349.431 0.786 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970340887 733393016 /nfs/dbraw/zinc/39/30/16/733393016.db2.gz SJUGFBXANQOYPH-AWEZNQCLSA-N 1 1 336.395 0.872 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1ncc(C#N)cc1F ZINC001104269694 733537165 /nfs/dbraw/zinc/53/71/65/733537165.db2.gz DGFVEPPIHLTCAD-LALPHHSUSA-N 1 1 349.410 0.976 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1ncc(C#N)cc1F ZINC001104269694 733537166 /nfs/dbraw/zinc/53/71/66/733537166.db2.gz DGFVEPPIHLTCAD-LALPHHSUSA-N 1 1 349.410 0.976 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1nccnc1C#N ZINC001104269991 733537599 /nfs/dbraw/zinc/53/75/99/733537599.db2.gz LLQXWJBDARLLLL-YRGRVCCFSA-N 1 1 332.408 0.232 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1nccnc1C#N ZINC001104269991 733537604 /nfs/dbraw/zinc/53/76/04/733537604.db2.gz LLQXWJBDARLLLL-YRGRVCCFSA-N 1 1 332.408 0.232 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3CCC)C2)cn1 ZINC000970519754 733639775 /nfs/dbraw/zinc/63/97/75/733639775.db2.gz OGESQADKMVKQGJ-OAHLLOKOSA-N 1 1 339.403 0.464 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccncn3)C2)C1=O ZINC000970613789 733743520 /nfs/dbraw/zinc/74/35/20/733743520.db2.gz SMLGVGQXRUPYDN-DOMZBBRYSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)CCO1 ZINC001104298692 734082452 /nfs/dbraw/zinc/08/24/52/734082452.db2.gz SPFFLSMVDXMASM-OAHLLOKOSA-N 1 1 334.420 0.871 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2C(=O)CCC2=O)C1 ZINC001039248499 734116619 /nfs/dbraw/zinc/11/66/19/734116619.db2.gz CKNXHBXDFRSTGM-LSDHHAIUSA-N 1 1 331.416 0.472 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)CCO1 ZINC001104316925 734258940 /nfs/dbraw/zinc/25/89/40/734258940.db2.gz LYEWFMHKPRYIDW-CRAIPNDOSA-N 1 1 348.447 0.996 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000973123770 738798756 /nfs/dbraw/zinc/79/87/56/738798756.db2.gz JYRGUAQCBGHXIA-BZUAXINKSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000973123770 738798759 /nfs/dbraw/zinc/79/87/59/738798759.db2.gz JYRGUAQCBGHXIA-BZUAXINKSA-N 1 1 335.448 0.827 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC001098548324 734320914 /nfs/dbraw/zinc/32/09/14/734320914.db2.gz RDQDNZLVKRURRJ-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2cc(CC)[nH+]c(C)n2)CCO1 ZINC001104330650 734371665 /nfs/dbraw/zinc/37/16/65/734371665.db2.gz UGBPGRMSAKUPFL-BBRMVZONSA-N 1 1 346.431 0.707 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ocnc3C)C2)C1=O ZINC000971286350 734421924 /nfs/dbraw/zinc/42/19/24/734421924.db2.gz XEOBLZOYIRSESO-KGLIPLIRSA-N 1 1 332.404 0.916 20 30 ECEDMO C[N@@H+](C[C@H]1CCc2ncnn21)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363660 734475641 /nfs/dbraw/zinc/47/56/41/734475641.db2.gz BBTZFAADRSDMKS-ZIAGYGMSSA-N 1 1 339.403 0.812 20 30 ECEDMO C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971377253 734485445 /nfs/dbraw/zinc/48/54/45/734485445.db2.gz VUNIWDIMDAILRI-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cc(OC)no3)C2)C1=O ZINC000971380310 734493092 /nfs/dbraw/zinc/49/30/92/734493092.db2.gz HHTKZWRRZTWLRX-CHWSQXEVSA-N 1 1 348.403 0.616 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1)C1CCC1 ZINC001104353372 734600688 /nfs/dbraw/zinc/60/06/88/734600688.db2.gz VIBRBQJODBMJAK-HNNXBMFYSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC000973157913 738839335 /nfs/dbraw/zinc/83/93/35/738839335.db2.gz ILLLLOPRXKZRTD-VQHPVUNQSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC000973157913 738839340 /nfs/dbraw/zinc/83/93/40/738839340.db2.gz ILLLLOPRXKZRTD-VQHPVUNQSA-N 1 1 347.459 0.807 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C#CC1CC1)c1nnnn1C ZINC001087164815 734851590 /nfs/dbraw/zinc/85/15/90/734851590.db2.gz QFAAWRBDAUQKTH-IPYPFGDCSA-N 1 1 330.436 0.901 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCOCC1 ZINC001114988753 734867095 /nfs/dbraw/zinc/86/70/95/734867095.db2.gz LOZKVQGOWIXECJ-QLPKVWCKSA-N 1 1 335.448 0.542 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cnc(C)o3)C2)C1=O ZINC000971670801 734936372 /nfs/dbraw/zinc/93/63/72/734936372.db2.gz LTTZRIDRSNSPRD-GDBMZVCRSA-N 1 1 346.431 0.845 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC000971739173 735009140 /nfs/dbraw/zinc/00/91/40/735009140.db2.gz JIGDCOBAQMLDIK-KBPBESRZSA-N 1 1 345.403 0.115 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000973181463 738873062 /nfs/dbraw/zinc/87/30/62/738873062.db2.gz UWFWUPCUISBPLU-MRVWCRGKSA-N 1 1 329.404 0.748 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(Nc3nccnc3C#N)CCCC2)C1 ZINC001104379249 735055610 /nfs/dbraw/zinc/05/56/10/735055610.db2.gz IKWQABBKGTWUMC-AWEZNQCLSA-N 1 1 344.419 0.520 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(Nc3nccnc3C#N)CCCC2)C1 ZINC001104379249 735055612 /nfs/dbraw/zinc/05/56/12/735055612.db2.gz IKWQABBKGTWUMC-AWEZNQCLSA-N 1 1 344.419 0.520 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)Nc2ccc(C#N)nc2)C1 ZINC001098215143 735219584 /nfs/dbraw/zinc/21/95/84/735219584.db2.gz HFSGMOBCFWELLG-CJNGLKHVSA-N 1 1 331.420 0.979 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001078198433 782478293 /nfs/dbraw/zinc/47/82/93/782478293.db2.gz NZAXOIHIBQNMGZ-OWCLPIDISA-N 1 1 337.464 0.761 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)[C@H]2C1 ZINC001083229448 735230998 /nfs/dbraw/zinc/23/09/98/735230998.db2.gz AOPSQAVQMYVVGA-YESZJQIVSA-N 1 1 341.411 0.959 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)[C@H]2C1 ZINC001083229448 735231003 /nfs/dbraw/zinc/23/10/03/735231003.db2.gz AOPSQAVQMYVVGA-YESZJQIVSA-N 1 1 341.411 0.959 20 30 ECEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001111586702 735236543 /nfs/dbraw/zinc/23/65/43/735236543.db2.gz IRBBVPYVFPBNNM-ZBEGNZNMSA-N 1 1 349.822 0.892 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001111586702 735236546 /nfs/dbraw/zinc/23/65/46/735236546.db2.gz IRBBVPYVFPBNNM-ZBEGNZNMSA-N 1 1 349.822 0.892 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)Cn2ccccc2=O)CC1 ZINC001098558585 735265856 /nfs/dbraw/zinc/26/58/56/735265856.db2.gz MACIWUFCSJEOHY-UHFFFAOYSA-N 1 1 333.432 0.710 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000972045195 735556330 /nfs/dbraw/zinc/55/63/30/735556330.db2.gz MEYBMMYXPXFGTJ-CYBMUJFWSA-N 1 1 349.822 0.781 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000972045195 735556334 /nfs/dbraw/zinc/55/63/34/735556334.db2.gz MEYBMMYXPXFGTJ-CYBMUJFWSA-N 1 1 349.822 0.781 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972079239 735620124 /nfs/dbraw/zinc/62/01/24/735620124.db2.gz MZVFSCDLTCZVQO-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972079239 735620126 /nfs/dbraw/zinc/62/01/26/735620126.db2.gz MZVFSCDLTCZVQO-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC000972138516 735693076 /nfs/dbraw/zinc/69/30/76/735693076.db2.gz PIIXTUKRBVUHCB-OWYFMNJBSA-N 1 1 333.432 0.198 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972198151 735775996 /nfs/dbraw/zinc/77/59/96/735775996.db2.gz GNJIMYVXGGEOTI-GWCFXTLKSA-N 1 1 333.417 0.334 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([N@@H+](C)CCN3C(=O)CNC3=O)C2)C1 ZINC000972282711 735885410 /nfs/dbraw/zinc/88/54/10/735885410.db2.gz GMCJUNWWCRTRHK-CYBMUJFWSA-N 1 1 334.420 0.427 20 30 ECEDMO Cc1cc(C)n(CC[N@@H+]2CCO[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000972299231 735910870 /nfs/dbraw/zinc/91/08/70/735910870.db2.gz ZGJIMBOLQLJXMD-KDOFPFPSSA-N 1 1 345.447 0.963 20 30 ECEDMO Cc1cc(C)n(CC[N@H+]2CCO[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000972299231 735910873 /nfs/dbraw/zinc/91/08/73/735910873.db2.gz ZGJIMBOLQLJXMD-KDOFPFPSSA-N 1 1 345.447 0.963 20 30 ECEDMO COC[C@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972340281 735971347 /nfs/dbraw/zinc/97/13/47/735971347.db2.gz VWMKYAUPSKEAFA-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972340281 735971350 /nfs/dbraw/zinc/97/13/50/735971350.db2.gz VWMKYAUPSKEAFA-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 ZINC000972358533 736007626 /nfs/dbraw/zinc/00/76/26/736007626.db2.gz RLGAUWREMYEMEO-QGZVFWFLSA-N 1 1 333.436 0.938 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001058909134 751365835 /nfs/dbraw/zinc/36/58/35/751365835.db2.gz XCJMDUMBXZIZOK-UONOGXRCSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001058909134 751365841 /nfs/dbraw/zinc/36/58/41/751365841.db2.gz XCJMDUMBXZIZOK-UONOGXRCSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ncccc3C#N)C2)C1 ZINC001058909189 751365934 /nfs/dbraw/zinc/36/59/34/751365934.db2.gz ZHTGFXSGQMIBMC-LSDHHAIUSA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ncccc3C#N)C2)C1 ZINC001058909189 751365941 /nfs/dbraw/zinc/36/59/41/751365941.db2.gz ZHTGFXSGQMIBMC-LSDHHAIUSA-N 1 1 329.404 0.687 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4ccnn43)C2)C1 ZINC000972407998 736137583 /nfs/dbraw/zinc/13/75/83/736137583.db2.gz IEKIVKBCDGFQSS-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4ccnn43)C2)C1 ZINC000972407998 736137584 /nfs/dbraw/zinc/13/75/84/736137584.db2.gz IEKIVKBCDGFQSS-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO N#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000972411057 736148374 /nfs/dbraw/zinc/14/83/74/736148374.db2.gz WHNABUZWFVUTNT-WMLDXEAASA-N 1 1 329.404 0.587 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3CC)C2)C1 ZINC000972425589 736174848 /nfs/dbraw/zinc/17/48/48/736174848.db2.gz PADKEDFHSCDUOW-SFHVURJKSA-N 1 1 330.432 0.923 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3CC)C2)C1 ZINC000972425589 736174850 /nfs/dbraw/zinc/17/48/50/736174850.db2.gz PADKEDFHSCDUOW-SFHVURJKSA-N 1 1 330.432 0.923 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 ZINC000972446328 736218092 /nfs/dbraw/zinc/21/80/92/736218092.db2.gz KBIPUTJYYONIAU-SFHVURJKSA-N 1 1 335.448 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 ZINC000972446328 736218094 /nfs/dbraw/zinc/21/80/94/736218094.db2.gz KBIPUTJYYONIAU-SFHVURJKSA-N 1 1 335.448 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972456025 736245050 /nfs/dbraw/zinc/24/50/50/736245050.db2.gz PXWBCOYGAGPNKY-CRAIPNDOSA-N 1 1 348.447 0.104 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972456025 736245052 /nfs/dbraw/zinc/24/50/52/736245052.db2.gz PXWBCOYGAGPNKY-CRAIPNDOSA-N 1 1 348.447 0.104 20 30 ECEDMO C#CCN1CCO[C@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC000972465592 736266155 /nfs/dbraw/zinc/26/61/55/736266155.db2.gz KXSQRTBTUKAUGR-LJQANCHMSA-N 1 1 342.443 0.698 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)nc1 ZINC001022991144 736367795 /nfs/dbraw/zinc/36/77/95/736367795.db2.gz ZKXSLVBQQQBKML-RTXFEEFZSA-N 1 1 325.376 0.198 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)CCc3ccnn3C)C2)nn1 ZINC000972507531 736463455 /nfs/dbraw/zinc/46/34/55/736463455.db2.gz XJAHCTKFRLYXEZ-HNNXBMFYSA-N 1 1 343.435 0.587 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cnn(C)c3)C2)nn1 ZINC000972515924 736519993 /nfs/dbraw/zinc/51/99/93/736519993.db2.gz DKNWBMYBQQWFRW-OAHLLOKOSA-N 1 1 343.435 0.934 20 30 ECEDMO C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972516525 736525198 /nfs/dbraw/zinc/52/51/98/736525198.db2.gz AGLSOSAJIXLKBX-FUHWJXTLSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972516525 736525201 /nfs/dbraw/zinc/52/52/01/736525201.db2.gz AGLSOSAJIXLKBX-FUHWJXTLSA-N 1 1 335.448 0.032 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@@]3(C1)CN(CC#N)CCO3)CC2 ZINC000972525184 736570585 /nfs/dbraw/zinc/57/05/85/736570585.db2.gz ZPPUBSUICDEJJY-YJBOKZPZSA-N 1 1 343.431 0.581 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)c1 ZINC001023296426 736656139 /nfs/dbraw/zinc/65/61/39/736656139.db2.gz XACLUBCBJKHJLZ-RISCZKNCSA-N 1 1 343.387 0.133 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001023297328 736659955 /nfs/dbraw/zinc/65/99/55/736659955.db2.gz JXFIRMOVTUILRF-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(C2)C[N@H+](CCCO)CCO3)c1 ZINC000972545822 736662863 /nfs/dbraw/zinc/66/28/63/736662863.db2.gz KPIXOEGBRXHKRH-GOSISDBHSA-N 1 1 329.400 0.362 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCCO)CCO3)c1 ZINC000972545822 736662864 /nfs/dbraw/zinc/66/28/64/736662864.db2.gz KPIXOEGBRXHKRH-GOSISDBHSA-N 1 1 329.400 0.362 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)[nH]1 ZINC001023318713 736678752 /nfs/dbraw/zinc/67/87/52/736678752.db2.gz LDIJJTLPTHKTFB-CYBMUJFWSA-N 1 1 329.404 0.560 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023365432 736739143 /nfs/dbraw/zinc/73/91/43/736739143.db2.gz CYSDCKKXJMOMSS-UONOGXRCSA-N 1 1 329.404 0.224 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cnn(C)n2)C1 ZINC001023424461 736813027 /nfs/dbraw/zinc/81/30/27/736813027.db2.gz YYEPZLPSVMWTPM-WBVHZDCISA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cnn(C)n2)C1 ZINC001023424461 736813030 /nfs/dbraw/zinc/81/30/30/736813030.db2.gz YYEPZLPSVMWTPM-WBVHZDCISA-N 1 1 344.463 0.241 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC000972564394 736814008 /nfs/dbraw/zinc/81/40/08/736814008.db2.gz FNUFJMJRHCHIBH-GJZGRUSLSA-N 1 1 345.447 0.960 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001023462162 736868441 /nfs/dbraw/zinc/86/84/41/736868441.db2.gz BVRYNDKWRXINJC-MRXNPFEDSA-N 1 1 345.443 0.960 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cncn3C)C2)C1=O ZINC001023471134 736883224 /nfs/dbraw/zinc/88/32/24/736883224.db2.gz DMCJZPXROOEZKB-HUUCEWRRSA-N 1 1 345.447 0.649 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@](C)(NC(C)=O)C(C)C)CC1 ZINC001098577517 736944534 /nfs/dbraw/zinc/94/45/34/736944534.db2.gz LCGKSONRFYUBRB-SFHVURJKSA-N 1 1 337.464 0.456 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001023522038 736951711 /nfs/dbraw/zinc/95/17/11/736951711.db2.gz RCMODQNABDRHDX-ZDUSSCGKSA-N 1 1 342.407 0.159 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@H](C)OC)CCO3)nn1 ZINC000972585354 736970466 /nfs/dbraw/zinc/97/04/66/736970466.db2.gz LGRJLQXTKKCTKM-WMLDXEAASA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@H](C)OC)CCO3)nn1 ZINC000972585354 736970469 /nfs/dbraw/zinc/97/04/69/736970469.db2.gz LGRJLQXTKKCTKM-WMLDXEAASA-N 1 1 349.435 0.416 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC(=O)N3C)[C@H]2C1 ZINC001083261739 736989816 /nfs/dbraw/zinc/98/98/16/736989816.db2.gz KCQXAEHIJKJVMU-HRCADAONSA-N 1 1 335.448 0.875 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001023558916 737009631 /nfs/dbraw/zinc/00/96/31/737009631.db2.gz XIHDVCZSPXCXPO-GJZGRUSLSA-N 1 1 329.448 0.772 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001023583364 737039780 /nfs/dbraw/zinc/03/97/80/737039780.db2.gz FRDPSFVHRUVKAL-NVXWUHKLSA-N 1 1 340.427 0.783 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3ccnnc3)C2)C1=O ZINC001023618911 737087408 /nfs/dbraw/zinc/08/74/08/737087408.db2.gz YFXRWZMDUZVWJC-GDBMZVCRSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001023639399 737127259 /nfs/dbraw/zinc/12/72/59/737127259.db2.gz HQUHGXBSKHIJDK-OLZOCXBDSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001023639630 737127881 /nfs/dbraw/zinc/12/78/81/737127881.db2.gz LAEWMTRTZCHLLC-UKRRQHHQSA-N 1 1 348.451 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001023641041 737129727 /nfs/dbraw/zinc/12/97/27/737129727.db2.gz RRRUEHYZAQNQBR-VNSJNIRKSA-N 1 1 348.447 0.769 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001023643688 737132955 /nfs/dbraw/zinc/13/29/55/737132955.db2.gz DPHXHTDIEYHELE-UONOGXRCSA-N 1 1 329.466 0.425 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccncn3)C2)C1=O ZINC001023658842 737158280 /nfs/dbraw/zinc/15/82/80/737158280.db2.gz VROLZOOHHJHTOK-GOEBONIOSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3conc3COC)C2)C1 ZINC000972635265 737181843 /nfs/dbraw/zinc/18/18/43/737181843.db2.gz QBJYIEOZSOQVPY-KRWDZBQOSA-N 1 1 333.388 0.761 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3conc3COC)C2)C1 ZINC000972635265 737181844 /nfs/dbraw/zinc/18/18/44/737181844.db2.gz QBJYIEOZSOQVPY-KRWDZBQOSA-N 1 1 333.388 0.761 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001023695007 737209497 /nfs/dbraw/zinc/20/94/97/737209497.db2.gz SCXTWGKQDIGQPS-ZDUSSCGKSA-N 1 1 326.404 0.885 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC001023711203 737218738 /nfs/dbraw/zinc/21/87/38/737218738.db2.gz XJRXLTHBZQNSRS-CQSZACIVSA-N 1 1 340.427 0.783 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001023730509 737254252 /nfs/dbraw/zinc/25/42/52/737254252.db2.gz YTSARYYUGAVKGI-HUUCEWRRSA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001023730509 737254255 /nfs/dbraw/zinc/25/42/55/737254255.db2.gz YTSARYYUGAVKGI-HUUCEWRRSA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000972669684 737317039 /nfs/dbraw/zinc/31/70/39/737317039.db2.gz RRVIPFYTVTYRLA-QGZVFWFLSA-N 1 1 335.404 0.015 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000972669684 737317042 /nfs/dbraw/zinc/31/70/42/737317042.db2.gz RRVIPFYTVTYRLA-QGZVFWFLSA-N 1 1 335.404 0.015 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN([C@@H](C)C(=O)NC)C2)CC1 ZINC001023759292 737319631 /nfs/dbraw/zinc/31/96/31/737319631.db2.gz FCNVHDLJCFPDGY-HOTGVXAUSA-N 1 1 348.491 0.294 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972674325 737344751 /nfs/dbraw/zinc/34/47/51/737344751.db2.gz CIBCHPCDGNLSTC-SFHVURJKSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972674325 737344756 /nfs/dbraw/zinc/34/47/56/737344756.db2.gz CIBCHPCDGNLSTC-SFHVURJKSA-N 1 1 342.399 0.121 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3nonc3C)C2)C1=O ZINC001023776096 737356754 /nfs/dbraw/zinc/35/67/54/737356754.db2.gz QGOXPTYXLLARJG-KGLIPLIRSA-N 1 1 347.419 0.607 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689668 737387971 /nfs/dbraw/zinc/38/79/71/737387971.db2.gz YUTXZRJWYYBVFN-CRAIPNDOSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689668 737387976 /nfs/dbraw/zinc/38/79/76/737387976.db2.gz YUTXZRJWYYBVFN-CRAIPNDOSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC000972695801 737407424 /nfs/dbraw/zinc/40/74/24/737407424.db2.gz UTDODJRFBVGMPT-QGZVFWFLSA-N 1 1 334.420 0.217 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCN(CC)C3=O)C2)nc1 ZINC000972757045 737598180 /nfs/dbraw/zinc/59/81/80/737598180.db2.gz SLZWNKJTFHSECV-WBVHZDCISA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)nc1 ZINC000972756809 737598199 /nfs/dbraw/zinc/59/81/99/737598199.db2.gz PKRGCIGRRFEHDQ-ZBFHGGJFSA-N 1 1 326.400 0.440 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cnsn3)C(C)(C)C2)C1=O ZINC000972832351 737763297 /nfs/dbraw/zinc/76/32/97/737763297.db2.gz HOLPSJAHRILISJ-CHWSQXEVSA-N 1 1 349.460 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cnsn3)C(C)(C)C2)C1=O ZINC000972832351 737763300 /nfs/dbraw/zinc/76/33/00/737763300.db2.gz HOLPSJAHRILISJ-CHWSQXEVSA-N 1 1 349.460 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cncnc2)C1=O ZINC001024407914 737945860 /nfs/dbraw/zinc/94/58/60/737945860.db2.gz SZPNMKFCVUTNOG-HZPDHXFCSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cncnc2)C1=O ZINC001024407914 737945865 /nfs/dbraw/zinc/94/58/65/737945865.db2.gz SZPNMKFCVUTNOG-HZPDHXFCSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001024466570 737997408 /nfs/dbraw/zinc/99/74/08/737997408.db2.gz BULARUOISQUXGS-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001024501160 738030429 /nfs/dbraw/zinc/03/04/29/738030429.db2.gz FKHUPKBUIQJXCY-BRWVUGGUSA-N 1 1 349.475 0.905 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CNC(=O)C(CC)CC)CC1 ZINC001098588599 738124940 /nfs/dbraw/zinc/12/49/40/738124940.db2.gz MVTYTWHMSMMJIV-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc4nnnn4c3)C(C)(C)[C@H]21 ZINC001087295504 738141873 /nfs/dbraw/zinc/14/18/73/738141873.db2.gz KHXPXCDYCADWKX-BMFZPTHFSA-N 1 1 338.415 0.976 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C(N)=O ZINC001087301132 738167256 /nfs/dbraw/zinc/16/72/56/738167256.db2.gz XEMYVLDCTQKYQS-OUAUKWLOSA-N 1 1 344.253 0.986 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C(N)=O ZINC001087301132 738167257 /nfs/dbraw/zinc/16/72/57/738167257.db2.gz XEMYVLDCTQKYQS-OUAUKWLOSA-N 1 1 344.253 0.986 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001024635518 738189820 /nfs/dbraw/zinc/18/98/20/738189820.db2.gz GRAFZSDGJIYHOG-JSGCOSHPSA-N 1 1 349.410 0.920 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001024635518 738189825 /nfs/dbraw/zinc/18/98/25/738189825.db2.gz GRAFZSDGJIYHOG-JSGCOSHPSA-N 1 1 349.410 0.920 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ccnnc2)C1=O ZINC001024674090 738214784 /nfs/dbraw/zinc/21/47/84/738214784.db2.gz RCNHSRCQAMCYJI-JKSUJKDBSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ccnnc2)C1=O ZINC001024674090 738214788 /nfs/dbraw/zinc/21/47/88/738214788.db2.gz RCNHSRCQAMCYJI-JKSUJKDBSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N(C)C)nn1 ZINC001024699135 738229530 /nfs/dbraw/zinc/22/95/30/738229530.db2.gz OPVLKJJTGICFJL-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N(C)C)nn1 ZINC001024699135 738229531 /nfs/dbraw/zinc/22/95/31/738229531.db2.gz OPVLKJJTGICFJL-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001024731079 738254682 /nfs/dbraw/zinc/25/46/82/738254682.db2.gz CBJUGRHFDYFSCJ-HOTGVXAUSA-N 1 1 345.447 0.922 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001024731079 738254687 /nfs/dbraw/zinc/25/46/87/738254687.db2.gz CBJUGRHFDYFSCJ-HOTGVXAUSA-N 1 1 345.447 0.922 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)CC1=O ZINC001038313399 738262223 /nfs/dbraw/zinc/26/22/23/738262223.db2.gz WUESIAMXFHUGIR-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)CC1=O ZINC001038313399 738262225 /nfs/dbraw/zinc/26/22/25/738262225.db2.gz WUESIAMXFHUGIR-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001024746959 738267947 /nfs/dbraw/zinc/26/79/47/738267947.db2.gz KBYBTNDEZHTHQZ-HUUCEWRRSA-N 1 1 331.420 0.847 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](n2ccnn2)C1 ZINC001070000609 790297082 /nfs/dbraw/zinc/29/70/82/790297082.db2.gz CIEGKRMTKLKZFD-KGLIPLIRSA-N 1 1 329.408 0.551 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025259373 738944622 /nfs/dbraw/zinc/94/46/22/738944622.db2.gz OTPDZHUHIVVKBZ-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1nccnc1C(N)=O ZINC001025296879 739018488 /nfs/dbraw/zinc/01/84/88/739018488.db2.gz LXIJBSCTUBXGJO-ZIAGYGMSSA-N 1 1 341.415 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1nc(C)n(C)c1=O ZINC001025298687 739019338 /nfs/dbraw/zinc/01/93/38/739019338.db2.gz YTVSBMLNIAXLRK-JKSUJKDBSA-N 1 1 345.447 0.369 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2nccnc2C#N)C1 ZINC001104579953 739087744 /nfs/dbraw/zinc/08/77/44/739087744.db2.gz SUAFJLOJTGGEGH-OCCSQVGLSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2nccnc2C#N)C1 ZINC001104579953 739087746 /nfs/dbraw/zinc/08/77/46/739087746.db2.gz SUAFJLOJTGGEGH-OCCSQVGLSA-N 1 1 332.408 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000973410381 739224039 /nfs/dbraw/zinc/22/40/39/739224039.db2.gz JEJHNVABNVYDCJ-YRBFXIGRSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000973410381 739224043 /nfs/dbraw/zinc/22/40/43/739224043.db2.gz JEJHNVABNVYDCJ-YRBFXIGRSA-N 1 1 333.432 0.274 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001114944900 739266491 /nfs/dbraw/zinc/26/64/91/739266491.db2.gz KESGWMIRMYDDBV-UOIKSKOESA-N 1 1 344.390 0.722 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001114944900 739266498 /nfs/dbraw/zinc/26/64/98/739266498.db2.gz KESGWMIRMYDDBV-UOIKSKOESA-N 1 1 344.390 0.722 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H]2CCc3ncnn32)CC1 ZINC000981994638 751429078 /nfs/dbraw/zinc/42/90/78/751429078.db2.gz PQTTUNOQCQOYJO-OAGGEKHMSA-N 1 1 345.447 0.891 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)NC)nn1 ZINC001028191976 751429823 /nfs/dbraw/zinc/42/98/23/751429823.db2.gz DZDMLCZFRCOZTD-CHWSQXEVSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)NC)nn1 ZINC001028191976 751429826 /nfs/dbraw/zinc/42/98/26/751429826.db2.gz DZDMLCZFRCOZTD-CHWSQXEVSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCN(C)C2=O)nn1 ZINC001028193272 751434906 /nfs/dbraw/zinc/43/49/06/751434906.db2.gz ZNXTWJSFBARMRD-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCN(C)C2=O)nn1 ZINC001028193272 751434908 /nfs/dbraw/zinc/43/49/08/751434908.db2.gz ZNXTWJSFBARMRD-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001025390090 739353869 /nfs/dbraw/zinc/35/38/69/739353869.db2.gz IGKCQYIRIRTALD-ZIAGYGMSSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCn1cncn1 ZINC001028194595 751438194 /nfs/dbraw/zinc/43/81/94/751438194.db2.gz BPQHLQFPXRRYNH-PMPSAXMXSA-N 1 1 333.436 0.840 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nc1 ZINC000973485474 739380081 /nfs/dbraw/zinc/38/00/81/739380081.db2.gz ZTXUYQWYSRWLSI-BPUTZDHNSA-N 1 1 340.427 0.924 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001025471081 739612536 /nfs/dbraw/zinc/61/25/36/739612536.db2.gz CIMZNOJLVJELKN-KGLIPLIRSA-N 1 1 330.432 0.978 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3nnnc3c2)C1 ZINC001025505795 739668324 /nfs/dbraw/zinc/66/83/24/739668324.db2.gz KIGVXZVIKYWMET-UKRRQHHQSA-N 1 1 326.404 0.978 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001025591531 739756149 /nfs/dbraw/zinc/75/61/49/739756149.db2.gz DEPSTTVQOGCHDX-WDEREUQCSA-N 1 1 336.392 0.913 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001025593784 739757618 /nfs/dbraw/zinc/75/76/18/739757618.db2.gz CQGYSZPXMNCLMX-DZGCQCFKSA-N 1 1 328.416 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC(=O)NC)C2)cn1 ZINC001025600465 739761981 /nfs/dbraw/zinc/76/19/81/739761981.db2.gz MNJGROCKXGOYNB-UKRRQHHQSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001006531368 751486721 /nfs/dbraw/zinc/48/67/21/751486721.db2.gz WQFPEZBIFPOJPA-UKRRQHHQSA-N 1 1 340.427 0.591 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001025690618 739869364 /nfs/dbraw/zinc/86/93/64/739869364.db2.gz HBTZCLFUNROPPB-HUUCEWRRSA-N 1 1 349.475 0.763 20 30 ECEDMO COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001025704721 739881720 /nfs/dbraw/zinc/88/17/20/739881720.db2.gz BCCYOBAREHGLAF-DZVNLGKHSA-N 1 1 338.407 0.894 20 30 ECEDMO COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001025705275 739882710 /nfs/dbraw/zinc/88/27/10/739882710.db2.gz KXLMCHBPIMNRNQ-ALYAQQCSSA-N 1 1 339.395 0.914 20 30 ECEDMO C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001058658648 739907531 /nfs/dbraw/zinc/90/75/31/739907531.db2.gz IFFUQYMZDKILDJ-CYBMUJFWSA-N 1 1 326.441 0.061 20 30 ECEDMO C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001058661122 739950493 /nfs/dbraw/zinc/95/04/93/739950493.db2.gz PJNVKXBWTWFLJJ-GDBMZVCRSA-N 1 1 346.431 0.386 20 30 ECEDMO C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001058661124 739950620 /nfs/dbraw/zinc/95/06/20/739950620.db2.gz PJNVKXBWTWFLJJ-HOCLYGCPSA-N 1 1 346.431 0.386 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025790790 739954022 /nfs/dbraw/zinc/95/40/22/739954022.db2.gz PUHRBOQRHYIRKP-XDKXFUCDSA-N 1 1 347.459 0.635 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C(F)(F)F ZINC001112033416 739971403 /nfs/dbraw/zinc/97/14/03/739971403.db2.gz HJRUOTSJZLPIDI-RKDXNWHRSA-N 1 1 343.296 0.923 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC2(F)F)C1=O ZINC001025817062 739991096 /nfs/dbraw/zinc/99/10/96/739991096.db2.gz XTJGXXNRQINWRZ-ZUWCUPBKSA-N 1 1 339.386 0.865 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C1 ZINC001025847284 740018762 /nfs/dbraw/zinc/01/87/62/740018762.db2.gz AUJDTZSYVJQPAQ-IMSKVBIZSA-N 1 1 331.460 0.997 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC000982031082 751505074 /nfs/dbraw/zinc/50/50/74/751505074.db2.gz TUDHVKHKDZNEFV-UHFFFAOYSA-N 1 1 342.443 0.912 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006119 790305878 /nfs/dbraw/zinc/30/58/78/790305878.db2.gz DRCIQIZWJSIUCM-BBWFWOEESA-N 1 1 344.463 0.375 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)n2C)[C@@H](n2ccnn2)C1 ZINC001070007966 790309931 /nfs/dbraw/zinc/30/99/31/790309931.db2.gz JRGLBJSIGIBTTR-ZBFHGGJFSA-N 1 1 343.435 0.942 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC000982045836 751530057 /nfs/dbraw/zinc/53/00/57/751530057.db2.gz ASAMYBUIMJOWHZ-UHFFFAOYSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC000982045836 751530060 /nfs/dbraw/zinc/53/00/60/751530060.db2.gz ASAMYBUIMJOWHZ-UHFFFAOYSA-N 1 1 338.473 0.759 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001026057036 740344335 /nfs/dbraw/zinc/34/43/35/740344335.db2.gz STRWZLTUVZRFJS-UDOHHAEJSA-N 1 1 347.459 0.540 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NC)C3)nn1 ZINC000982061029 751541886 /nfs/dbraw/zinc/54/18/86/751541886.db2.gz IPGAAZWVPMBIHO-UHFFFAOYSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NC)C3)nn1 ZINC000982061029 751541892 /nfs/dbraw/zinc/54/18/92/751541892.db2.gz IPGAAZWVPMBIHO-UHFFFAOYSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCCOC2)C1=O ZINC001026146591 740420746 /nfs/dbraw/zinc/42/07/46/740420746.db2.gz IXMCSERMWACLRV-ZNFSNMQZSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC000973981999 740724279 /nfs/dbraw/zinc/72/42/79/740724279.db2.gz BSEHVYNDSUPAGN-GUTXKFCHSA-N 1 1 342.399 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC000973981999 740724280 /nfs/dbraw/zinc/72/42/80/740724280.db2.gz BSEHVYNDSUPAGN-GUTXKFCHSA-N 1 1 342.399 0.262 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000973989085 740735581 /nfs/dbraw/zinc/73/55/81/740735581.db2.gz MTFJBVAPBYXTOX-LZWOXQAQSA-N 1 1 346.431 0.382 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000973989085 740735583 /nfs/dbraw/zinc/73/55/83/740735583.db2.gz MTFJBVAPBYXTOX-LZWOXQAQSA-N 1 1 346.431 0.382 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000974004979 740762062 /nfs/dbraw/zinc/76/20/62/740762062.db2.gz SKAXVSSEWBXCDN-BNOWGMLFSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCCOC)C2 ZINC001111493570 740816539 /nfs/dbraw/zinc/81/65/39/740816539.db2.gz ZZCBTGFCFIOUMK-OAGGEKHMSA-N 1 1 326.437 0.964 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)ncn2)C1 ZINC000974037364 740816559 /nfs/dbraw/zinc/81/65/59/740816559.db2.gz YBQNCPILHSEKLD-LZWOXQAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)ncn2)C1 ZINC000974037364 740816563 /nfs/dbraw/zinc/81/65/63/740816563.db2.gz YBQNCPILHSEKLD-LZWOXQAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000974048461 740845584 /nfs/dbraw/zinc/84/55/84/740845584.db2.gz FRYQLGXWTHHSMX-PBOSXPJTSA-N 1 1 329.404 0.461 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)CCn3cnccc3=O)C2)C1 ZINC000982090546 751588821 /nfs/dbraw/zinc/58/88/21/751588821.db2.gz AORZDBMNHIUCAD-UHFFFAOYSA-N 1 1 328.416 0.581 20 30 ECEDMO CC(C)C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104925712 740953383 /nfs/dbraw/zinc/95/33/83/740953383.db2.gz AOTDOFAZPZTPFB-HIFRSBDPSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104925712 740953388 /nfs/dbraw/zinc/95/33/88/740953388.db2.gz AOTDOFAZPZTPFB-HIFRSBDPSA-N 1 1 346.435 0.622 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC000982104168 751592944 /nfs/dbraw/zinc/59/29/44/751592944.db2.gz FVEQNCYNFPDSHM-UHFFFAOYSA-N 1 1 334.420 0.429 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC1(Nc2cc(CC)[nH+]c(C)n2)CCC1 ZINC001111784878 740996353 /nfs/dbraw/zinc/99/63/53/740996353.db2.gz HPUKXEXWHHGBRR-UHFFFAOYSA-N 1 1 343.431 0.938 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC000974143182 740999712 /nfs/dbraw/zinc/99/97/12/740999712.db2.gz HBOKSJZECXZKMN-MCIONIFRSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000974143388 741000652 /nfs/dbraw/zinc/00/06/52/741000652.db2.gz QFBPKUMMXHMSLY-MCIONIFRSA-N 1 1 346.435 0.183 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000982110177 751602156 /nfs/dbraw/zinc/60/21/56/751602156.db2.gz IJHNKAOZPXXYRS-HNNXBMFYSA-N 1 1 332.448 0.867 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001112071020 741151165 /nfs/dbraw/zinc/15/11/65/741151165.db2.gz OAFWOEOWZOTOJS-IVZWLZJFSA-N 1 1 341.355 0.170 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)[C@H](C)C1 ZINC001105048315 741241804 /nfs/dbraw/zinc/24/18/04/741241804.db2.gz VGGUWEXAIKANSL-ZIAGYGMSSA-N 1 1 330.436 0.761 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC000982141815 751636280 /nfs/dbraw/zinc/63/62/80/751636280.db2.gz SSYKVPCBYVERIE-CYBMUJFWSA-N 1 1 334.420 0.475 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000982141666 751636743 /nfs/dbraw/zinc/63/67/43/751636743.db2.gz OFKDDGJZHPMPGT-AWEZNQCLSA-N 1 1 348.447 0.865 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105248876 741551589 /nfs/dbraw/zinc/55/15/89/741551589.db2.gz CFICFQXBAJGCIC-UHFFFAOYSA-N 1 1 327.816 0.522 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)[nH]nc3Cl)C2)nn1 ZINC001105256768 741571575 /nfs/dbraw/zinc/57/15/75/741571575.db2.gz QZKUFIYAVZKOAF-UHFFFAOYSA-N 1 1 335.799 0.936 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCC(NC(=O)Cc3nnc[nH]3)CC2)C1=O ZINC001026590408 741586577 /nfs/dbraw/zinc/58/65/77/741586577.db2.gz MZSQGWACKFIJRV-RUXDESIVSA-N 1 1 346.435 0.151 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(CC)CCNC3=O)C2)nn1 ZINC001105265062 741603116 /nfs/dbraw/zinc/60/31/16/741603116.db2.gz WOCHMXWQKNNSJA-KRWDZBQOSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(F)F)ncn3)C2)nn1 ZINC001105270679 741617494 /nfs/dbraw/zinc/61/74/94/741617494.db2.gz HZHWJOPLAVGGHZ-UHFFFAOYSA-N 1 1 349.345 0.978 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C)c(=O)c3)C2)nn1 ZINC001105272674 741618021 /nfs/dbraw/zinc/61/80/21/741618021.db2.gz PNNKZEBVQQALQE-UHFFFAOYSA-N 1 1 342.403 0.340 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]c4c3CCC4)C2)nn1 ZINC001105276830 741627259 /nfs/dbraw/zinc/62/72/59/741627259.db2.gz STEKRWMEQGRCBF-UHFFFAOYSA-N 1 1 341.419 0.853 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(OC)n3)C2)nn1 ZINC001105280934 741636365 /nfs/dbraw/zinc/63/63/65/741636365.db2.gz LOYSZKJDFRGJBS-UHFFFAOYSA-N 1 1 329.364 0.049 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(OC)n3)C2)nn1 ZINC001105280904 741637893 /nfs/dbraw/zinc/63/78/93/741637893.db2.gz JTISPJGTHSHMLR-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)c3cnn(C)c3)C2)nn1 ZINC001105292590 741654018 /nfs/dbraw/zinc/65/40/18/741654018.db2.gz WQHRBJFKXMEUFY-CYBMUJFWSA-N 1 1 343.435 0.864 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nn(C)c3C)C2)nn1 ZINC001105295017 741667412 /nfs/dbraw/zinc/66/74/12/741667412.db2.gz UMRLFJAXCMHHKW-UHFFFAOYSA-N 1 1 329.408 0.601 20 30 ECEDMO COCc1noc(C[NH2+]C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001026760038 741777418 /nfs/dbraw/zinc/77/74/18/741777418.db2.gz RGBOKJLIHCLASH-LLVKDONJSA-N 1 1 344.375 0.668 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001105328631 741822583 /nfs/dbraw/zinc/82/25/83/741822583.db2.gz NJYOKVUNLXULCZ-WQVCFCJDSA-N 1 1 349.435 0.377 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cn(C)nn3)C(C)(C)C2)C1=O ZINC000974573332 741914232 /nfs/dbraw/zinc/91/42/32/741914232.db2.gz YICHZTQXZYOGIG-UONOGXRCSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cn(C)nn3)C(C)(C)C2)C1=O ZINC000974573332 741914233 /nfs/dbraw/zinc/91/42/33/741914233.db2.gz YICHZTQXZYOGIG-UONOGXRCSA-N 1 1 346.435 0.042 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974604332 741926408 /nfs/dbraw/zinc/92/64/08/741926408.db2.gz PCMYQHGAAHFRGO-HNNXBMFYSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2ncccn2)C(C)(C)C1 ZINC000974674722 741987167 /nfs/dbraw/zinc/98/71/67/741987167.db2.gz IVFIUTSUHBSHQM-LSDHHAIUSA-N 1 1 327.432 0.905 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1 ZINC000974731046 742127017 /nfs/dbraw/zinc/12/70/17/742127017.db2.gz GODCWXDXNGTLLS-TUAOUCFPSA-N 1 1 334.338 0.793 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1 ZINC000974731046 742127018 /nfs/dbraw/zinc/12/70/18/742127018.db2.gz GODCWXDXNGTLLS-TUAOUCFPSA-N 1 1 334.338 0.793 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C(C)(C)C1 ZINC000974769009 742160084 /nfs/dbraw/zinc/16/00/84/742160084.db2.gz WLYLYMFGNMUGMV-AWEZNQCLSA-N 1 1 342.399 0.876 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cncn3C)C(C)(C)C2)C1=O ZINC000974772320 742166292 /nfs/dbraw/zinc/16/62/92/742166292.db2.gz FCKDZRDKZYCCHM-UKRRQHHQSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cncn3C)C(C)(C)C2)C1=O ZINC000974772320 742166297 /nfs/dbraw/zinc/16/62/97/742166297.db2.gz FCKDZRDKZYCCHM-UKRRQHHQSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H](N2C[C@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000974780586 742181139 /nfs/dbraw/zinc/18/11/39/742181139.db2.gz BXHDHQGTISKKKE-STQMWFEESA-N 1 1 332.408 0.032 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)nn1 ZINC001105336329 742361678 /nfs/dbraw/zinc/36/16/78/742361678.db2.gz DFGKGMDFPJAJIZ-CYBMUJFWSA-N 1 1 346.435 0.196 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000975186557 742598995 /nfs/dbraw/zinc/59/89/95/742598995.db2.gz NXHRIGJPMWFMCE-ZFWWWQNUSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1ccn(C(CC)CC)n1 ZINC001125981628 742658677 /nfs/dbraw/zinc/65/86/77/742658677.db2.gz CSAWKDFDNBDBFQ-UHFFFAOYSA-N 1 1 333.436 0.590 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1 ZINC000982250074 751761748 /nfs/dbraw/zinc/76/17/48/751761748.db2.gz IULATQFYXXUMSC-JCGIZDLHSA-N 1 1 343.431 0.934 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028935695 742915572 /nfs/dbraw/zinc/91/55/72/742915572.db2.gz JZONNDYBDYAGHL-QWRGUYRKSA-N 1 1 330.226 0.612 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028935695 742915581 /nfs/dbraw/zinc/91/55/81/742915581.db2.gz JZONNDYBDYAGHL-QWRGUYRKSA-N 1 1 330.226 0.612 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001028962830 743006770 /nfs/dbraw/zinc/00/67/70/743006770.db2.gz BUZSYFQRNHGPAF-ZIAGYGMSSA-N 1 1 329.828 0.424 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001028962830 743006778 /nfs/dbraw/zinc/00/67/78/743006778.db2.gz BUZSYFQRNHGPAF-ZIAGYGMSSA-N 1 1 329.828 0.424 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3nccn3C)C2)nn1 ZINC001098693234 743035498 /nfs/dbraw/zinc/03/54/98/743035498.db2.gz RKCKCVYUZHOWKV-HNNXBMFYSA-N 1 1 343.435 0.693 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn[nH]2)C1 ZINC001111601378 743144241 /nfs/dbraw/zinc/14/42/41/743144241.db2.gz YUNGYDOSLUHGON-DCGLDWPTSA-N 1 1 329.404 0.132 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)cn1 ZINC000997102038 743237305 /nfs/dbraw/zinc/23/73/05/743237305.db2.gz NVVBTAHQSLUIIS-UHFFFAOYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC000997335026 743501269 /nfs/dbraw/zinc/50/12/69/743501269.db2.gz OTXFLAZQKWNFFO-CXAGYDPISA-N 1 1 325.412 0.806 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)nn1 ZINC001098695140 743518918 /nfs/dbraw/zinc/51/89/18/743518918.db2.gz QIOZHEYYJVOZHL-VNQPRFMTSA-N 1 1 333.436 1.000 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cc[nH]n3)C2)C1=O ZINC001027311386 743591322 /nfs/dbraw/zinc/59/13/22/743591322.db2.gz OZAHQAFKAZYQAY-DZGCQCFKSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001027311386 743591327 /nfs/dbraw/zinc/59/13/27/743591327.db2.gz OZAHQAFKAZYQAY-DZGCQCFKSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001027311386 743591329 /nfs/dbraw/zinc/59/13/29/743591329.db2.gz OZAHQAFKAZYQAY-DZGCQCFKSA-N 1 1 331.420 0.733 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000976278807 743778985 /nfs/dbraw/zinc/77/89/85/743778985.db2.gz GDKSSQUDNUNMLQ-JHMPBIJASA-N 1 1 347.459 0.635 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)O1 ZINC001059873201 751873469 /nfs/dbraw/zinc/87/34/69/751873469.db2.gz YSPSQTDCJBHHBH-IKVITTDRSA-N 1 1 347.394 0.871 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)O1 ZINC001059873201 751873478 /nfs/dbraw/zinc/87/34/78/751873478.db2.gz YSPSQTDCJBHHBH-IKVITTDRSA-N 1 1 347.394 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1(F)F ZINC000976460770 743971901 /nfs/dbraw/zinc/97/19/01/743971901.db2.gz IIHDHTVZKVPBNA-ZUWCUPBKSA-N 1 1 337.370 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1(F)F ZINC000976460770 743971904 /nfs/dbraw/zinc/97/19/04/743971904.db2.gz IIHDHTVZKVPBNA-ZUWCUPBKSA-N 1 1 337.370 0.312 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000998158456 744014953 /nfs/dbraw/zinc/01/49/53/744014953.db2.gz ZBWBRQGGQADTHQ-OAHLLOKOSA-N 1 1 333.432 0.766 20 30 ECEDMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027372399 744021857 /nfs/dbraw/zinc/02/18/57/744021857.db2.gz ROZCFWPMXAIFDH-CQSZACIVSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027372399 744021862 /nfs/dbraw/zinc/02/18/62/744021862.db2.gz ROZCFWPMXAIFDH-CQSZACIVSA-N 1 1 329.404 0.655 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001027373442 744039022 /nfs/dbraw/zinc/03/90/22/744039022.db2.gz LZJGKLDUBIEBOT-HUUCEWRRSA-N 1 1 329.404 0.653 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000976511043 744040256 /nfs/dbraw/zinc/04/02/56/744040256.db2.gz OILVBSYAHVMVME-YTGMWSOZSA-N 1 1 341.455 0.847 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cncc(OC)n3)C2)nn1 ZINC001105338800 744092649 /nfs/dbraw/zinc/09/26/49/744092649.db2.gz BNUSCPRLBXZSCW-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@H]3CCOC3)C[C@H]21 ZINC000976733756 744257830 /nfs/dbraw/zinc/25/78/30/744257830.db2.gz CWNHIXVCRONTOW-LFRCEIEQSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@H]3CCOC3)C[C@H]21 ZINC000976733756 744257833 /nfs/dbraw/zinc/25/78/33/744257833.db2.gz CWNHIXVCRONTOW-LFRCEIEQSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](F)C(C)C)C[C@H]21 ZINC000976736631 744261882 /nfs/dbraw/zinc/26/18/82/744261882.db2.gz QCTIOSKQOQANII-ZVDSWSACSA-N 1 1 335.423 0.651 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](F)C(C)C)C[C@H]21 ZINC000976736631 744261883 /nfs/dbraw/zinc/26/18/83/744261883.db2.gz QCTIOSKQOQANII-ZVDSWSACSA-N 1 1 335.423 0.651 20 30 ECEDMO C[C@H]([NH2+]C1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C ZINC000998661291 744273660 /nfs/dbraw/zinc/27/36/60/744273660.db2.gz SUKPVFZPYOCVFH-FJJSSXBZSA-N 1 1 328.380 0.364 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000976787976 744324268 /nfs/dbraw/zinc/32/42/68/744324268.db2.gz AXALIJXULXRNAP-LQKXBSAESA-N 1 1 341.415 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000998797204 744346891 /nfs/dbraw/zinc/34/68/91/744346891.db2.gz HKDUXVCNGHEXJN-LSDHHAIUSA-N 1 1 331.420 0.320 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001027431845 744372691 /nfs/dbraw/zinc/37/26/91/744372691.db2.gz MZHBOEAPGHLCBB-JKSUJKDBSA-N 1 1 337.464 0.980 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3CCF)C2)c[nH]1 ZINC000998967316 744437712 /nfs/dbraw/zinc/43/77/12/744437712.db2.gz AKYWYMCDTMMRPE-CYBMUJFWSA-N 1 1 345.382 0.842 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998971363 744440999 /nfs/dbraw/zinc/44/09/99/744440999.db2.gz WSRISYHHGUNQKJ-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C ZINC000998971589 744441674 /nfs/dbraw/zinc/44/16/74/744441674.db2.gz XWNRHPCSUMQGCQ-CMPLNLGQSA-N 1 1 328.380 0.365 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001028250537 751923832 /nfs/dbraw/zinc/92/38/32/751923832.db2.gz GRENNRBAAIUEDG-QWHCGFSZSA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001028250537 751923840 /nfs/dbraw/zinc/92/38/40/751923840.db2.gz GRENNRBAAIUEDG-QWHCGFSZSA-N 1 1 332.404 0.714 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@H]32)CC1 ZINC000977127369 744687139 /nfs/dbraw/zinc/68/71/39/744687139.db2.gz WRBXVHJQFOZWHC-TWMKSMIVSA-N 1 1 347.459 0.636 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@H]32)CC1 ZINC000977127369 744687141 /nfs/dbraw/zinc/68/71/41/744687141.db2.gz WRBXVHJQFOZWHC-TWMKSMIVSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2sccc2-n2cnnn2)C1 ZINC001027476862 744702193 /nfs/dbraw/zinc/70/21/93/744702193.db2.gz XOTZQNGHDMPVGM-LBPRGKRZSA-N 1 1 330.417 0.893 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001149137038 751943368 /nfs/dbraw/zinc/94/33/68/751943368.db2.gz MCWPOOBZYAVGQE-HZPDHXFCSA-N 1 1 335.448 0.852 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001149137038 751943373 /nfs/dbraw/zinc/94/33/73/751943373.db2.gz MCWPOOBZYAVGQE-HZPDHXFCSA-N 1 1 335.448 0.852 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001027506009 744866928 /nfs/dbraw/zinc/86/69/28/744866928.db2.gz VPYLHPVXNGCOLE-ZFWWWQNUSA-N 1 1 331.420 0.864 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C(C)(C)C1 ZINC000977365137 744906124 /nfs/dbraw/zinc/90/61/24/744906124.db2.gz DIPFSUOOROFOBG-ZDUSSCGKSA-N 1 1 332.404 0.589 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001027514394 744915832 /nfs/dbraw/zinc/91/58/32/744915832.db2.gz HXAQPRCIIKHLMU-GFCCVEGCSA-N 1 1 330.396 0.416 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977381868 744916506 /nfs/dbraw/zinc/91/65/06/744916506.db2.gz AYDXJVXMKFLXMA-DZGCQCFKSA-N 1 1 331.420 0.388 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977381868 744916509 /nfs/dbraw/zinc/91/65/09/744916509.db2.gz AYDXJVXMKFLXMA-DZGCQCFKSA-N 1 1 331.420 0.388 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cccn1C ZINC000977382293 744916867 /nfs/dbraw/zinc/91/68/67/744916867.db2.gz BMHKFGCPZGNIHO-RDJZCZTQSA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cccn1C ZINC000977382293 744916868 /nfs/dbraw/zinc/91/68/68/744916868.db2.gz BMHKFGCPZGNIHO-RDJZCZTQSA-N 1 1 342.443 0.796 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001027522110 744975220 /nfs/dbraw/zinc/97/52/20/744975220.db2.gz RPIVCUSEXFPEGF-ZDUSSCGKSA-N 1 1 336.436 0.673 20 30 ECEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3ncn(C)c3=O)C[C@@]2(C)C1 ZINC000982322133 751962985 /nfs/dbraw/zinc/96/29/85/751962985.db2.gz UEJQMYLGAKYALF-CALCHBBNSA-N 1 1 333.436 0.328 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000977454813 745015032 /nfs/dbraw/zinc/01/50/32/745015032.db2.gz XQLHTPAMSRUGLV-CQSZACIVSA-N 1 1 345.447 0.231 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000977464154 745049420 /nfs/dbraw/zinc/04/94/20/745049420.db2.gz FWXVYZINYFYPEY-ZDUSSCGKSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CCOCC3)nn2)C1 ZINC000999942362 745076628 /nfs/dbraw/zinc/07/66/28/745076628.db2.gz GNXTXIJEFZGYIR-MRXNPFEDSA-N 1 1 331.420 0.591 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(C(=O)CSCC#N)C2)C1 ZINC001059198277 745116000 /nfs/dbraw/zinc/11/60/00/745116000.db2.gz PIXVYVXICFFJDC-UONOGXRCSA-N 1 1 338.477 0.550 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnc(F)c3)nn2)C1 ZINC000999972087 745120094 /nfs/dbraw/zinc/12/00/94/745120094.db2.gz RYPJHJSMXZZFGI-AWEZNQCLSA-N 1 1 328.351 0.622 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3COCCN3C)nn2)C1 ZINC000999973588 745122754 /nfs/dbraw/zinc/12/27/54/745122754.db2.gz GMGUIXSVELCOSE-JKSUJKDBSA-N 1 1 348.451 0.048 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC000999980314 745131347 /nfs/dbraw/zinc/13/13/47/745131347.db2.gz MUORQZAXZWXGQX-OAHLLOKOSA-N 1 1 337.387 0.678 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC000999984359 745136627 /nfs/dbraw/zinc/13/66/27/745136627.db2.gz LPXKYHPKRABTCO-OAHLLOKOSA-N 1 1 327.392 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)ccn3C)nn2)C1 ZINC000999984418 745136742 /nfs/dbraw/zinc/13/67/42/745136742.db2.gz MHMMFUGHMLIRLT-OAHLLOKOSA-N 1 1 326.404 0.735 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C(C)(C)C1 ZINC000977516665 745137519 /nfs/dbraw/zinc/13/75/19/745137519.db2.gz RTTTZPRYKWHPRF-HNNXBMFYSA-N 1 1 328.416 0.905 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C(C)(C)C1 ZINC000977516665 745137521 /nfs/dbraw/zinc/13/75/21/745137521.db2.gz RTTTZPRYKWHPRF-HNNXBMFYSA-N 1 1 328.416 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC2(C)C)nc1 ZINC000977523469 745141887 /nfs/dbraw/zinc/14/18/87/745141887.db2.gz JAQBQPRMYPALSN-HOTGVXAUSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC2(C)C)nc1 ZINC000977523469 745141893 /nfs/dbraw/zinc/14/18/93/745141893.db2.gz JAQBQPRMYPALSN-HOTGVXAUSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nn(C)cc3C)nn2)C1 ZINC000999990398 745147204 /nfs/dbraw/zinc/14/72/04/745147204.db2.gz JYYMTZXLWYBVHK-CQSZACIVSA-N 1 1 327.392 0.130 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)nc1 ZINC000977527450 745147519 /nfs/dbraw/zinc/14/75/19/745147519.db2.gz REQNKIFAGWSQPF-CZUORRHYSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)nc1 ZINC000977527450 745147523 /nfs/dbraw/zinc/14/75/23/745147523.db2.gz REQNKIFAGWSQPF-CZUORRHYSA-N 1 1 342.443 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)ncn3C)nn2)C1 ZINC000999991329 745148156 /nfs/dbraw/zinc/14/81/56/745148156.db2.gz LJUSFUXLOILDON-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000977529235 745149919 /nfs/dbraw/zinc/14/99/19/745149919.db2.gz MESYFANXKGSIRZ-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCNC3=O)nn2)C1 ZINC000999993361 745151478 /nfs/dbraw/zinc/15/14/78/745151478.db2.gz SAXLBNRBVYYSOC-LSDHHAIUSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc4cc[nH]c4n3)nn2)C1 ZINC000999994237 745152784 /nfs/dbraw/zinc/15/27/84/745152784.db2.gz WPSLPQWELHFFDX-OAHLLOKOSA-N 1 1 349.398 0.964 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(CCF)c3)nn2)C1 ZINC001000001185 745163613 /nfs/dbraw/zinc/16/36/13/745163613.db2.gz CDZUANOIIMHEBI-HNNXBMFYSA-N 1 1 345.382 0.254 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc4[nH]ccc4n3)nn2)C1 ZINC001000002614 745166680 /nfs/dbraw/zinc/16/66/80/745166680.db2.gz KPVDFYDSUPHTQQ-AWEZNQCLSA-N 1 1 349.398 0.964 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)C34CCC[NH+]3CCC4)nn2)C1 ZINC001000002628 745167011 /nfs/dbraw/zinc/16/70/11/745167011.db2.gz KTCFGRUGPCCFKI-INIZCTEOSA-N 1 1 342.447 0.403 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3Cl)C2)nn1 ZINC001105360668 751979701 /nfs/dbraw/zinc/97/97/01/751979701.db2.gz FHIGLSDUUUBSSX-UHFFFAOYSA-N 1 1 335.799 0.638 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3C=C)nn2)C1 ZINC001000022308 745192799 /nfs/dbraw/zinc/19/27/99/745192799.db2.gz VALCQZUYHJFWDD-OAGGEKHMSA-N 1 1 329.404 0.365 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)C1 ZINC000977575077 745197880 /nfs/dbraw/zinc/19/78/80/745197880.db2.gz KYXRDPLXFGJSAG-LBPRGKRZSA-N 1 1 331.420 0.982 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 ZINC001000029420 745203476 /nfs/dbraw/zinc/20/34/76/745203476.db2.gz NSIGQFXWCKVZMP-ZDUSSCGKSA-N 1 1 330.396 0.160 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nc(CC)oc3C)nn2)C1 ZINC001000030760 745205563 /nfs/dbraw/zinc/20/55/63/745205563.db2.gz LGJAOCGWZILFBM-CQSZACIVSA-N 1 1 342.403 0.947 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncc(OC)n3)nn2)C1 ZINC001000035097 745210600 /nfs/dbraw/zinc/21/06/00/745210600.db2.gz YDPRDWAESVBRCR-CYBMUJFWSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3conc3COC)nn2)C1 ZINC001000035884 745212069 /nfs/dbraw/zinc/21/20/69/745212069.db2.gz QKHCXPKIRTVAJD-ZDUSSCGKSA-N 1 1 344.375 0.223 20 30 ECEDMO C=CCCn1cc(C(=O)NCCC[NH2+]Cc2nnc(CC)o2)nn1 ZINC001167991007 745272041 /nfs/dbraw/zinc/27/20/41/745272041.db2.gz FGEVQVPQBVYCSX-UHFFFAOYSA-N 1 1 333.396 0.709 20 30 ECEDMO C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000983785240 745287242 /nfs/dbraw/zinc/28/72/42/745287242.db2.gz NPGQOMPZZPWMCN-HYVNUMGLSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000983785240 745287245 /nfs/dbraw/zinc/28/72/45/745287245.db2.gz NPGQOMPZZPWMCN-HYVNUMGLSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(CC)o3)C2)nn1 ZINC001020699903 751989113 /nfs/dbraw/zinc/98/91/13/751989113.db2.gz BOHCOIANZLQCFO-XYPYZODXSA-N 1 1 331.380 0.460 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C(C)(C)C1 ZINC000977635186 745295768 /nfs/dbraw/zinc/29/57/68/745295768.db2.gz ZFUXRXFJARQRML-LSDHHAIUSA-N 1 1 329.448 0.999 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059240644 745338948 /nfs/dbraw/zinc/33/89/48/745338948.db2.gz XXWGWQOXMXUJOM-YXSUXZIUSA-N 1 1 328.420 0.702 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027551781 745397144 /nfs/dbraw/zinc/39/71/44/745397144.db2.gz QQWGLWGSZUAXCH-HZPDHXFCSA-N 1 1 341.415 0.662 20 30 ECEDMO COc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)C(N)=O)C2)cc1C#N ZINC001027553407 745423283 /nfs/dbraw/zinc/42/32/83/745423283.db2.gz XGKCOCQLBKONLZ-AWEZNQCLSA-N 1 1 330.388 0.475 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+][C@@H](C)c3nncn3C)C2)nn1 ZINC001000405151 745478557 /nfs/dbraw/zinc/47/85/57/745478557.db2.gz QZOOSKBNWPNCRF-QWHCGFSZSA-N 1 1 344.423 0.548 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)[nH]1 ZINC001083413385 745486622 /nfs/dbraw/zinc/48/66/22/745486622.db2.gz LOORWAYBYAYHOI-ZACQAIPSSA-N 1 1 340.383 0.395 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)[nH]1 ZINC001083413385 745486625 /nfs/dbraw/zinc/48/66/25/745486625.db2.gz LOORWAYBYAYHOI-ZACQAIPSSA-N 1 1 340.383 0.395 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)[nH]1 ZINC001083413636 745486714 /nfs/dbraw/zinc/48/67/14/745486714.db2.gz XSRSJBQOGBTIAZ-AGIUHOORSA-N 1 1 340.330 0.085 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)[nH]1 ZINC001083413636 745486717 /nfs/dbraw/zinc/48/67/17/745486717.db2.gz XSRSJBQOGBTIAZ-AGIUHOORSA-N 1 1 340.330 0.085 20 30 ECEDMO CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1)C1CCC1 ZINC001083413478 745488002 /nfs/dbraw/zinc/48/80/02/745488002.db2.gz PZZQOTOVNSSOHK-PMPSAXMXSA-N 1 1 332.404 0.476 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)[nH]1 ZINC001029275766 745505345 /nfs/dbraw/zinc/50/53/45/745505345.db2.gz ODAFETVIOVAFKM-VNHYZAJKSA-N 1 1 327.388 0.454 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C(N)=O)cn3C)C[C@@]2(C)C1 ZINC000982343988 752008417 /nfs/dbraw/zinc/00/84/17/752008417.db2.gz PIFUBHQUCUVAKG-KDURUIRLSA-N 1 1 342.443 0.931 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(C(N)=O)cn3C)C[C@@]2(C)C1 ZINC000982344202 752009587 /nfs/dbraw/zinc/00/95/87/752009587.db2.gz WBDJRFROLBNVIA-KDURUIRLSA-N 1 1 342.443 0.931 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000977801746 745521762 /nfs/dbraw/zinc/52/17/62/745521762.db2.gz KMRQYQTTZNLHSS-VHDGCEQUSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CCOCC(=O)N1CCC([C@H]2[N@@H+](CC(N)=O)CC23CCC3)CC1 ZINC001105389175 745527792 /nfs/dbraw/zinc/52/77/92/745527792.db2.gz JZLAQWQARQONRJ-QGZVFWFLSA-N 1 1 335.448 0.767 20 30 ECEDMO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)s1 ZINC001083414216 745532689 /nfs/dbraw/zinc/53/26/89/745532689.db2.gz RJLMIWALZYTTBP-KGLIPLIRSA-N 1 1 345.428 0.935 20 30 ECEDMO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)s1 ZINC001083414216 745532695 /nfs/dbraw/zinc/53/26/95/745532695.db2.gz RJLMIWALZYTTBP-KGLIPLIRSA-N 1 1 345.428 0.935 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3cocn3)CC2)C1=O ZINC001000519896 745562957 /nfs/dbraw/zinc/56/29/57/745562957.db2.gz ZPWIZXFMNFEAEV-OAHLLOKOSA-N 1 1 330.388 0.823 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([N@@H+](C)[C@H]3CCNC3=O)C2)c1 ZINC001027568594 745595918 /nfs/dbraw/zinc/59/59/18/745595918.db2.gz NSUYJCLMPMNPPF-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnsn4)[C@@H]3C2)C1=O ZINC000977887641 745613323 /nfs/dbraw/zinc/61/33/23/745613323.db2.gz YYAISIQFFYMZAO-FMSGJZPZSA-N 1 1 347.444 0.233 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001028269936 752020936 /nfs/dbraw/zinc/02/09/36/752020936.db2.gz BYTWCBFWXLHSCL-HIFRSBDPSA-N 1 1 342.399 0.176 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001028269936 752020940 /nfs/dbraw/zinc/02/09/40/752020940.db2.gz BYTWCBFWXLHSCL-HIFRSBDPSA-N 1 1 342.399 0.176 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc[nH]c1 ZINC000977915068 745668965 /nfs/dbraw/zinc/66/89/65/745668965.db2.gz AQUDNWUFTOMQAM-CVEARBPZSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc[nH]c1 ZINC000977915068 745668967 /nfs/dbraw/zinc/66/89/67/745668967.db2.gz AQUDNWUFTOMQAM-CVEARBPZSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cn(C)cn1 ZINC000977927309 745681929 /nfs/dbraw/zinc/68/19/29/745681929.db2.gz LZLILYLINQXCOL-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cn(C)cn1 ZINC000977927309 745681933 /nfs/dbraw/zinc/68/19/33/745681933.db2.gz LZLILYLINQXCOL-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001028270568 752023997 /nfs/dbraw/zinc/02/39/97/752023997.db2.gz NSTGSODGIXNSFN-QWHCGFSZSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001028270568 752024000 /nfs/dbraw/zinc/02/40/00/752024000.db2.gz NSTGSODGIXNSFN-QWHCGFSZSA-N 1 1 330.388 0.162 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC#N)n[nH]1 ZINC001029315690 745687578 /nfs/dbraw/zinc/68/75/78/745687578.db2.gz SHPWPKQILNQDOV-DVOMOZLQSA-N 1 1 328.420 0.989 20 30 ECEDMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC#N)n[nH]1 ZINC001029315690 745687581 /nfs/dbraw/zinc/68/75/81/745687581.db2.gz SHPWPKQILNQDOV-DVOMOZLQSA-N 1 1 328.420 0.989 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1ccnc(C#N)n1 ZINC001126524740 745743973 /nfs/dbraw/zinc/74/39/73/745743973.db2.gz YJOOJGHEFACQHO-ZIAGYGMSSA-N 1 1 346.435 0.115 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001000791068 745767981 /nfs/dbraw/zinc/76/79/81/745767981.db2.gz LZBCBDRZHPMAQB-IRXDYDNUSA-N 1 1 344.459 0.111 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059307423 745819324 /nfs/dbraw/zinc/81/93/24/745819324.db2.gz WWGPDCRYSLMHED-IHRRRGAJSA-N 1 1 328.420 0.702 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cnc3ccc(OC)nn32)CC1 ZINC001000853794 745829534 /nfs/dbraw/zinc/82/95/34/745829534.db2.gz CUBVPYXVAOOXIE-UHFFFAOYSA-N 1 1 325.372 0.733 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001000859961 745833313 /nfs/dbraw/zinc/83/33/13/745833313.db2.gz SBDDXSCRGBVBIY-AWEZNQCLSA-N 1 1 331.420 0.871 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nn3)[C@@H]2C1 ZINC000978111125 745919211 /nfs/dbraw/zinc/91/92/11/745919211.db2.gz FJRPKLYRBYJYJW-RTCCRHLQSA-N 1 1 340.225 0.631 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087545292 745937564 /nfs/dbraw/zinc/93/75/64/745937564.db2.gz BLFJVAQUYLSRGM-DZGCQCFKSA-N 1 1 329.404 0.748 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087545292 745937566 /nfs/dbraw/zinc/93/75/66/745937566.db2.gz BLFJVAQUYLSRGM-DZGCQCFKSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC001000994629 745960221 /nfs/dbraw/zinc/96/02/21/745960221.db2.gz KFGXFBQDSXGPJD-UHFFFAOYSA-N 1 1 325.372 0.326 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001059337494 746007172 /nfs/dbraw/zinc/00/71/72/746007172.db2.gz JIYHHLWXEARFRK-OAHLLOKOSA-N 1 1 334.420 0.749 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nnn(C)c3C2)CC1 ZINC001001083612 746058297 /nfs/dbraw/zinc/05/82/97/746058297.db2.gz BINHUXYDSPIXJI-HNNXBMFYSA-N 1 1 327.432 0.692 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc4nnnn4c3)C[C@@]2(C)C1 ZINC000982366077 752058496 /nfs/dbraw/zinc/05/84/96/752058496.db2.gz JQIASFXQTIPAAE-HDICACEKSA-N 1 1 338.415 0.932 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1CC ZINC001087578126 746088148 /nfs/dbraw/zinc/08/81/48/746088148.db2.gz CDPNMEHWRLZLRV-QWHCGFSZSA-N 1 1 334.424 0.312 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H]1CC ZINC001087585289 746105944 /nfs/dbraw/zinc/10/59/44/746105944.db2.gz ZLPPUSCFGPVUCE-UONOGXRCSA-N 1 1 332.452 0.963 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2c3n(c(=O)n2C)CCCC3)CC1 ZINC001001144108 746110867 /nfs/dbraw/zinc/11/08/67/746110867.db2.gz KVOPUNZTMOUVHN-UHFFFAOYSA-N 1 1 342.443 0.908 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cncn3C)[C@H]2CC)C1=O ZINC001087643876 746141964 /nfs/dbraw/zinc/14/19/64/746141964.db2.gz QWSWHTQIVYZIKP-RRFJBIMHSA-N 1 1 345.447 0.790 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1CC ZINC001087649642 746152181 /nfs/dbraw/zinc/15/21/81/746152181.db2.gz XFXGYHIPLAZEQQ-GOEBONIOSA-N 1 1 346.431 0.496 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1CC ZINC001087669146 746165673 /nfs/dbraw/zinc/16/56/73/746165673.db2.gz SRPSXYJPHHPHHY-SOUVJXGZSA-N 1 1 329.404 0.358 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)CSCC#N)C1 ZINC001059350611 746166842 /nfs/dbraw/zinc/16/68/42/746166842.db2.gz WTIJFJJIZMIOLX-ZIAGYGMSSA-N 1 1 338.477 0.692 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001007062943 752066176 /nfs/dbraw/zinc/06/61/76/752066176.db2.gz JLVSUKZDCJUGOU-ZBFHGGJFSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001007062943 752066186 /nfs/dbraw/zinc/06/61/86/752066186.db2.gz JLVSUKZDCJUGOU-ZBFHGGJFSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001007062943 752066194 /nfs/dbraw/zinc/06/61/94/752066194.db2.gz JLVSUKZDCJUGOU-ZBFHGGJFSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001007062943 752066201 /nfs/dbraw/zinc/06/62/01/752066201.db2.gz JLVSUKZDCJUGOU-ZBFHGGJFSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361038 752067991 /nfs/dbraw/zinc/06/79/91/752067991.db2.gz OHJPHUQRWGOZRG-CQSZACIVSA-N 1 1 332.452 0.669 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361038 752067996 /nfs/dbraw/zinc/06/79/96/752067996.db2.gz OHJPHUQRWGOZRG-CQSZACIVSA-N 1 1 332.452 0.669 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC000978331681 746211845 /nfs/dbraw/zinc/21/18/45/746211845.db2.gz ZHSKNJFKPFGGRN-QKDCVEJESA-N 1 1 339.395 0.948 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC001001255915 746214325 /nfs/dbraw/zinc/21/43/25/746214325.db2.gz FVWSRBHJPUYXSF-KBMXLJTQSA-N 1 1 335.448 0.850 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC001001255915 746214330 /nfs/dbraw/zinc/21/43/30/746214330.db2.gz FVWSRBHJPUYXSF-KBMXLJTQSA-N 1 1 335.448 0.850 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087708125 746214618 /nfs/dbraw/zinc/21/46/18/746214618.db2.gz RKBZGEXCTGVLIM-ARFHVFGLSA-N 1 1 341.415 0.709 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2ccc3n[nH]c(=O)n3c2)CC1 ZINC001001262423 746222232 /nfs/dbraw/zinc/22/22/32/746222232.db2.gz DDVGIDBNGRLICB-UHFFFAOYSA-N 1 1 325.372 0.820 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC000978353128 746235377 /nfs/dbraw/zinc/23/53/77/746235377.db2.gz KQAPYWGAMIIACZ-QKDCVEJESA-N 1 1 336.457 0.129 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccnc(N4CCCC4)n3)[C@@H]2C1 ZINC000978382090 746252386 /nfs/dbraw/zinc/25/23/86/746252386.db2.gz CFLUUFHSYZFYCW-QKDCVEJESA-N 1 1 325.416 0.618 20 30 ECEDMO CS(=O)(=O)CC[NH+]1CCC(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001001329111 746281999 /nfs/dbraw/zinc/28/19/99/746281999.db2.gz CCLKDZDUFQJCKX-UHFFFAOYSA-N 1 1 338.433 0.373 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@H]1CC ZINC001087758358 746291909 /nfs/dbraw/zinc/29/19/09/746291909.db2.gz PZYIOXPXMXDZCM-YYIAUSFCSA-N 1 1 330.432 0.891 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001356816 746303915 /nfs/dbraw/zinc/30/39/15/746303915.db2.gz JZZABTAUOBVPAH-BETUJISGSA-N 1 1 343.431 0.947 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001001358075 746304820 /nfs/dbraw/zinc/30/48/20/746304820.db2.gz VBBHFNMSDLPYDT-UHFFFAOYSA-N 1 1 343.431 0.806 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nnc[nH]3)[C@H]2CC)C1=O ZINC001087767501 746305996 /nfs/dbraw/zinc/30/59/96/746305996.db2.gz FUJUFBFHSQDCQN-XQQFMLRXSA-N 1 1 332.408 0.174 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4sccn4c3=O)[C@@H]2C1 ZINC000978426821 746309418 /nfs/dbraw/zinc/30/94/18/746309418.db2.gz SGVDVTLWMXTBGZ-DEZZGGKRSA-N 1 1 342.424 0.687 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4sccn4c3=O)[C@@H]2C1 ZINC000978428805 746311777 /nfs/dbraw/zinc/31/17/77/746311777.db2.gz XWLIRFCMZUYZSY-UOJUARBOSA-N 1 1 330.413 0.850 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC000984349844 746330916 /nfs/dbraw/zinc/33/09/16/746330916.db2.gz JDEORVYHTMKQIE-BBWFWOEESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC000984349844 746330919 /nfs/dbraw/zinc/33/09/19/746330919.db2.gz JDEORVYHTMKQIE-BBWFWOEESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1CC ZINC001087795758 746352122 /nfs/dbraw/zinc/35/21/22/746352122.db2.gz WBTAMFPTOJGVQQ-WCQYABFASA-N 1 1 328.376 0.024 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ncccn3)C2)C1=O ZINC001027625734 746352079 /nfs/dbraw/zinc/35/20/79/746352079.db2.gz SBGLRZHPUNGOOW-HUUCEWRRSA-N 1 1 343.431 0.800 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3CC(F)F)[C@@H]2C1 ZINC000978530500 746410415 /nfs/dbraw/zinc/41/04/15/746410415.db2.gz ZPWANZSULGCGQQ-APIJFGDWSA-N 1 1 341.402 0.270 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2c(OC)ncnc2OC)CC1 ZINC001001499660 746436065 /nfs/dbraw/zinc/43/60/65/746436065.db2.gz DCVSXAXKCAWDKZ-UHFFFAOYSA-N 1 1 330.388 0.879 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@H]1CC ZINC001087834887 746446121 /nfs/dbraw/zinc/44/61/21/746446121.db2.gz ZQXXGEAUCGFYTR-RRFJBIMHSA-N 1 1 343.855 0.955 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@H]1CC ZINC001087834887 746446124 /nfs/dbraw/zinc/44/61/24/746446124.db2.gz ZQXXGEAUCGFYTR-RRFJBIMHSA-N 1 1 343.855 0.955 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000978565144 746446482 /nfs/dbraw/zinc/44/64/82/746446482.db2.gz HBTHOIJEBWSFQN-XUWVNRHRSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000978565144 746446486 /nfs/dbraw/zinc/44/64/86/746446486.db2.gz HBTHOIJEBWSFQN-XUWVNRHRSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC(C)(F)F)C[C@]2(C)C1 ZINC001101354294 746456315 /nfs/dbraw/zinc/45/63/15/746456315.db2.gz ZGOGECOBBLCAFY-ZENOOKHLSA-N 1 1 341.402 0.950 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]2O)c[nH]1 ZINC001083418528 746520722 /nfs/dbraw/zinc/52/07/22/746520722.db2.gz NSCGCIAGZSHOJK-CABCVRRESA-N 1 1 330.413 0.965 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnsn2)C1 ZINC000978626195 746521298 /nfs/dbraw/zinc/52/12/98/746521298.db2.gz GYMXLXDTJVTWHM-SCRDCRAPSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnsn2)C1 ZINC000978626195 746521303 /nfs/dbraw/zinc/52/13/03/746521303.db2.gz GYMXLXDTJVTWHM-SCRDCRAPSA-N 1 1 347.444 0.260 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC000978650476 746523545 /nfs/dbraw/zinc/52/35/45/746523545.db2.gz HIWQRZGQRDENKE-XDQVBPFNSA-N 1 1 349.866 0.967 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1 ZINC001001700964 746615950 /nfs/dbraw/zinc/61/59/50/746615950.db2.gz VLIVELJIWJYCBH-LVQVYYBASA-N 1 1 341.415 0.842 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nonc3C)C[C@H]21 ZINC000978714875 746628550 /nfs/dbraw/zinc/62/85/50/746628550.db2.gz HJCKJKYCIUUBRR-FAHYXWLWSA-N 1 1 332.404 0.763 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nonc3C)C[C@H]21 ZINC000978714875 746628552 /nfs/dbraw/zinc/62/85/52/746628552.db2.gz HJCKJKYCIUUBRR-FAHYXWLWSA-N 1 1 332.404 0.763 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21 ZINC000978714869 746628901 /nfs/dbraw/zinc/62/89/01/746628901.db2.gz HFDVEAGXKBBXSK-DZVNLGKHSA-N 1 1 344.459 0.848 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000978728777 746639759 /nfs/dbraw/zinc/63/97/59/746639759.db2.gz IWVHXNMRQRFJDV-NFAWXSAZSA-N 1 1 343.431 0.853 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001087909738 746641034 /nfs/dbraw/zinc/64/10/34/746641034.db2.gz WJPWIBGHCSPLBL-OAGGEKHMSA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001087909739 746641152 /nfs/dbraw/zinc/64/11/52/746641152.db2.gz WJPWIBGHCSPLBL-XHSDSOJGSA-N 1 1 332.448 0.939 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)cc1F ZINC001087915068 746656111 /nfs/dbraw/zinc/65/61/11/746656111.db2.gz TZBGIEMDOQZCBB-CABCVRRESA-N 1 1 344.390 0.853 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)CC[C@@H]3C2)c1 ZINC001087925370 746670353 /nfs/dbraw/zinc/67/03/53/746670353.db2.gz JIEOANQALPDTFS-YCPHGPKFSA-N 1 1 341.415 0.559 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)CSCC#N ZINC001211886179 746696727 /nfs/dbraw/zinc/69/67/27/746696727.db2.gz DRIXWWQLKCULBW-ZIAGYGMSSA-N 1 1 329.466 0.731 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)CSCC#N ZINC001211886179 746696730 /nfs/dbraw/zinc/69/67/30/746696730.db2.gz DRIXWWQLKCULBW-ZIAGYGMSSA-N 1 1 329.466 0.731 20 30 ECEDMO COCCN(CCNC(=O)C[N@@H+](C)C1CCC1)c1cncc(C#N)n1 ZINC001126561121 746702343 /nfs/dbraw/zinc/70/23/43/746702343.db2.gz CJSUTLCHRMGYMV-UHFFFAOYSA-N 1 1 346.435 0.402 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nn(C)cc2C)C1 ZINC001001814866 746742497 /nfs/dbraw/zinc/74/24/97/746742497.db2.gz LGCPDXLIFFJBPT-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nn(C)cc2C)C1 ZINC001001814866 746742499 /nfs/dbraw/zinc/74/24/99/746742499.db2.gz LGCPDXLIFFJBPT-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ncc(C)o4)C[C@H]32)nn1 ZINC000978820019 746748183 /nfs/dbraw/zinc/74/81/83/746748183.db2.gz SJLVKKPBBFWYIS-ZSOGYDGISA-N 1 1 342.403 0.868 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ncc(C)o4)C[C@H]32)nn1 ZINC000978820019 746748188 /nfs/dbraw/zinc/74/81/88/746748188.db2.gz SJLVKKPBBFWYIS-ZSOGYDGISA-N 1 1 342.403 0.868 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc(C)c[nH]4)[C@@H]3C2)C1=O ZINC000978826128 746754650 /nfs/dbraw/zinc/75/46/50/746754650.db2.gz ZWLWSVLNVIYSGL-APIJFGDWSA-N 1 1 343.431 0.413 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c(C#N)cn1 ZINC001059414416 746762183 /nfs/dbraw/zinc/76/21/83/746762183.db2.gz JECVHPLOWDMJTO-RAEVTNRLSA-N 1 1 327.432 0.940 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC000978843314 746771321 /nfs/dbraw/zinc/77/13/21/746771321.db2.gz SFFIZFGZQJISFJ-VIQHNZTISA-N 1 1 345.447 0.590 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC000978843314 746771324 /nfs/dbraw/zinc/77/13/24/746771324.db2.gz SFFIZFGZQJISFJ-VIQHNZTISA-N 1 1 345.447 0.590 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC000978835535 746780670 /nfs/dbraw/zinc/78/06/70/746780670.db2.gz TXJCMZRCTZKZBT-JGFGOLAASA-N 1 1 335.448 0.398 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)C1 ZINC001001889846 746788388 /nfs/dbraw/zinc/78/83/88/746788388.db2.gz NRJOMFRQKUJOJG-NHIYQJMISA-N 1 1 341.415 0.700 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001027693572 746857554 /nfs/dbraw/zinc/85/75/54/746857554.db2.gz GALDQGSZNZBGTD-AWEZNQCLSA-N 1 1 348.451 0.479 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)Cn3ccnc3)C2)C1=O ZINC001027702236 746915649 /nfs/dbraw/zinc/91/56/49/746915649.db2.gz YNEUSYDCJQATNN-JKSUJKDBSA-N 1 1 345.447 0.593 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007155199 752136062 /nfs/dbraw/zinc/13/60/62/752136062.db2.gz JWZCDDUKKAZQCP-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007155199 752136066 /nfs/dbraw/zinc/13/60/66/752136066.db2.gz JWZCDDUKKAZQCP-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000978953110 746946630 /nfs/dbraw/zinc/94/66/30/746946630.db2.gz KXRKDYOHKNKKIE-UHDSXZAQSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000978953110 746946633 /nfs/dbraw/zinc/94/66/33/746946633.db2.gz KXRKDYOHKNKKIE-UHDSXZAQSA-N 1 1 347.459 0.663 20 30 ECEDMO N#CCOc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ncn[nH]3)C2)cc1 ZINC001020781802 752136406 /nfs/dbraw/zinc/13/64/06/752136406.db2.gz NMLIXSXXCHWHQF-JOCQHMNTSA-N 1 1 326.360 0.758 20 30 ECEDMO N#CCOc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)cc1 ZINC001020781802 752136408 /nfs/dbraw/zinc/13/64/08/752136408.db2.gz NMLIXSXXCHWHQF-JOCQHMNTSA-N 1 1 326.360 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000978954799 746950707 /nfs/dbraw/zinc/95/07/07/746950707.db2.gz ZMNSPXGSNJGYGT-UAGQMJEPSA-N 1 1 342.443 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000978954799 746950711 /nfs/dbraw/zinc/95/07/11/746950711.db2.gz ZMNSPXGSNJGYGT-UAGQMJEPSA-N 1 1 342.443 0.666 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000978954768 746950845 /nfs/dbraw/zinc/95/08/45/746950845.db2.gz YQOAUPOWITUPKF-QXSJWSMHSA-N 1 1 329.444 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000978954768 746950850 /nfs/dbraw/zinc/95/08/50/746950850.db2.gz YQOAUPOWITUPKF-QXSJWSMHSA-N 1 1 329.444 0.895 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1 ZINC000978973375 746977845 /nfs/dbraw/zinc/97/78/45/746977845.db2.gz SIZTVVLVVXQIBH-PHZGNYQRSA-N 1 1 343.431 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000982412312 752139060 /nfs/dbraw/zinc/13/90/60/752139060.db2.gz IKDRVKKJPVAGFT-ZBFHGGJFSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000982412312 752139065 /nfs/dbraw/zinc/13/90/65/752139065.db2.gz IKDRVKKJPVAGFT-ZBFHGGJFSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]2C1 ZINC001088013205 747060734 /nfs/dbraw/zinc/06/07/34/747060734.db2.gz UYAGCOAOESBBPU-CABCVRRESA-N 1 1 326.400 0.137 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001002232135 747107643 /nfs/dbraw/zinc/10/76/43/747107643.db2.gz APLBFQKKUOAGNY-CVEARBPZSA-N 1 1 346.431 0.747 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088031900 747112766 /nfs/dbraw/zinc/11/27/66/747112766.db2.gz RILMRMOTUNIRSU-OAGGEKHMSA-N 1 1 338.473 0.615 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088031900 747112769 /nfs/dbraw/zinc/11/27/69/747112769.db2.gz RILMRMOTUNIRSU-OAGGEKHMSA-N 1 1 338.473 0.615 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088032180 747113248 /nfs/dbraw/zinc/11/32/48/747113248.db2.gz DDYTVIBUEXDFMO-KFWWJZLASA-N 1 1 326.462 0.778 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001059461394 747127259 /nfs/dbraw/zinc/12/72/59/747127259.db2.gz GLLTUNJXKKKRJX-HKUMRIAESA-N 1 1 330.392 0.126 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001059461394 747127269 /nfs/dbraw/zinc/12/72/69/747127269.db2.gz GLLTUNJXKKKRJX-HKUMRIAESA-N 1 1 330.392 0.126 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000979080779 747133665 /nfs/dbraw/zinc/13/36/65/747133665.db2.gz OJBQSUQTBGCIGZ-UXLLHSPISA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(F)F)[C@@H]1CC ZINC000985047503 747299948 /nfs/dbraw/zinc/29/99/48/747299948.db2.gz KUAOYQSJXIXCOF-XQQFMLRXSA-N 1 1 327.375 0.845 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(F)F)[C@@H]1CC ZINC000985047503 747299954 /nfs/dbraw/zinc/29/99/54/747299954.db2.gz KUAOYQSJXIXCOF-XQQFMLRXSA-N 1 1 327.375 0.845 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001002404613 747302981 /nfs/dbraw/zinc/30/29/81/747302981.db2.gz IHQRWAYFFDDFBS-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CSCC#N ZINC001211891299 747348203 /nfs/dbraw/zinc/34/82/03/747348203.db2.gz IHRLWKIDYAOLKP-BFHYXJOUSA-N 1 1 327.450 0.485 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC001002516281 747457548 /nfs/dbraw/zinc/45/75/48/747457548.db2.gz LUJROKSXEDQUDO-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2C)C1=O ZINC001027758451 747475660 /nfs/dbraw/zinc/47/56/60/747475660.db2.gz ZAIXGDXRQACCCM-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2C)C1=O ZINC001027758451 747475667 /nfs/dbraw/zinc/47/56/67/747475667.db2.gz ZAIXGDXRQACCCM-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO C[C@H]([NH2+]Cc1cnon1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979263408 747490058 /nfs/dbraw/zinc/49/00/58/747490058.db2.gz CWNDAEFKFUMZMT-IINYFYTJSA-N 1 1 330.348 0.289 20 30 ECEDMO C[C@H]([NH2+]Cc1cnon1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979263403 747490167 /nfs/dbraw/zinc/49/01/67/747490167.db2.gz CWNDAEFKFUMZMT-HZMBPMFUSA-N 1 1 330.348 0.289 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncnn1C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979291583 747524360 /nfs/dbraw/zinc/52/43/60/747524360.db2.gz KKTHWEKZCUVKJR-BXUZGUMPSA-N 1 1 343.391 0.034 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088164155 747561831 /nfs/dbraw/zinc/56/18/31/747561831.db2.gz XNVLWKNYGBBWIS-OWCLPIDISA-N 1 1 343.431 0.657 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cncnc2C)C1=O ZINC001027769757 747571352 /nfs/dbraw/zinc/57/13/52/747571352.db2.gz XTQXPLZPAOUEKQ-HOCLYGCPSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cncnc2C)C1=O ZINC001027769757 747571359 /nfs/dbraw/zinc/57/13/59/747571359.db2.gz XTQXPLZPAOUEKQ-HOCLYGCPSA-N 1 1 343.431 0.766 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979304900 747572669 /nfs/dbraw/zinc/57/26/69/747572669.db2.gz CDHZRYDJGLITKF-RJZRQDKASA-N 1 1 343.431 0.709 20 30 ECEDMO CCn1nc(C)c(C[NH2+][C@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979312424 747596623 /nfs/dbraw/zinc/59/66/23/747596623.db2.gz IXFLAZCAQYOZNP-RHSMWYFYSA-N 1 1 345.447 0.725 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979315587 747625745 /nfs/dbraw/zinc/62/57/45/747625745.db2.gz SARUGZZXOJSTRG-VIRABCJISA-N 1 1 343.431 0.709 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccnn2C)C1=O ZINC001027782964 747644149 /nfs/dbraw/zinc/64/41/49/747644149.db2.gz RSJNCJILLITDSR-HIFRSBDPSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccnn2C)C1=O ZINC001027782964 747644151 /nfs/dbraw/zinc/64/41/51/747644151.db2.gz RSJNCJILLITDSR-HIFRSBDPSA-N 1 1 331.420 0.401 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC001088187232 747704829 /nfs/dbraw/zinc/70/48/29/747704829.db2.gz NHVBLYFLOLVPHI-CVEARBPZSA-N 1 1 347.463 0.637 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 ZINC001088194491 747708183 /nfs/dbraw/zinc/70/81/83/747708183.db2.gz IHOZWCAZZZBTSO-RDBSUJKOSA-N 1 1 334.420 0.331 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]Cc3nncn3C)C2)C1 ZINC000979386498 747744798 /nfs/dbraw/zinc/74/47/98/747744798.db2.gz YBMZIAQJVHDVLH-KGLIPLIRSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnc(C)[nH]2)C1=O ZINC001027793237 747748247 /nfs/dbraw/zinc/74/82/47/747748247.db2.gz FZNXVBUIQJWXLY-HIFRSBDPSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnc(C)[nH]2)C1=O ZINC001027793237 747748255 /nfs/dbraw/zinc/74/82/55/747748255.db2.gz FZNXVBUIQJWXLY-HIFRSBDPSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCOCC3)C[C@@H]2C1 ZINC001088208629 747749380 /nfs/dbraw/zinc/74/93/80/747749380.db2.gz KEWXDJTVMYTXBV-CEXWTWQISA-N 1 1 345.487 0.901 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001088233116 747789684 /nfs/dbraw/zinc/78/96/84/747789684.db2.gz IGBXUZOTNIUCDY-MRXNPFEDSA-N 1 1 345.447 0.782 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3nnc(C)o3)CC2)C1 ZINC001088233295 747789992 /nfs/dbraw/zinc/78/99/92/747789992.db2.gz MIWXRFMBRZTIEX-INIZCTEOSA-N 1 1 346.431 0.883 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001088233585 747798324 /nfs/dbraw/zinc/79/83/24/747798324.db2.gz UUANDYRWMISPAX-HNNXBMFYSA-N 1 1 331.420 0.391 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001027796759 747818776 /nfs/dbraw/zinc/81/87/76/747818776.db2.gz KNIUSGNVRWSMOH-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001027796759 747818782 /nfs/dbraw/zinc/81/87/82/747818782.db2.gz KNIUSGNVRWSMOH-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001007236920 752214875 /nfs/dbraw/zinc/21/48/75/752214875.db2.gz RGLYYAAVOKWUSC-HUUCEWRRSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001007236920 752214879 /nfs/dbraw/zinc/21/48/79/752214879.db2.gz RGLYYAAVOKWUSC-HUUCEWRRSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001088237354 747837273 /nfs/dbraw/zinc/83/72/73/747837273.db2.gz QVWPSPIHIUCZPK-JKSUJKDBSA-N 1 1 348.447 0.021 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC001088237426 747838662 /nfs/dbraw/zinc/83/86/62/747838662.db2.gz UAACXMONNXPKRS-OAHLLOKOSA-N 1 1 344.415 0.346 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CCOC2)C1 ZINC001002829191 747844904 /nfs/dbraw/zinc/84/49/04/747844904.db2.gz JRZQXOWMQYCKEZ-HOCLYGCPSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CCOC2)C1 ZINC001002829191 747844908 /nfs/dbraw/zinc/84/49/08/747844908.db2.gz JRZQXOWMQYCKEZ-HOCLYGCPSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC(C)(F)F)C1 ZINC001002834572 747854873 /nfs/dbraw/zinc/85/48/73/747854873.db2.gz GNPVMJYRFQISTD-ZDUSSCGKSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC(C)(F)F)C1 ZINC001002834572 747854881 /nfs/dbraw/zinc/85/48/81/747854881.db2.gz GNPVMJYRFQISTD-ZDUSSCGKSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000979485860 747921078 /nfs/dbraw/zinc/92/10/78/747921078.db2.gz TVFVGXKXQNONBO-DZKIICNBSA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000979485860 747921079 /nfs/dbraw/zinc/92/10/79/747921079.db2.gz TVFVGXKXQNONBO-DZKIICNBSA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3nonc3C)CC2)C1 ZINC001088240171 747942974 /nfs/dbraw/zinc/94/29/74/747942974.db2.gz QVNOLEVHHFNBKQ-INIZCTEOSA-N 1 1 346.431 0.883 20 30 ECEDMO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1COC(=O)N1 ZINC001007255743 752226090 /nfs/dbraw/zinc/22/60/90/752226090.db2.gz BNLSGHICFQXOJV-CVEARBPZSA-N 1 1 327.384 0.727 20 30 ECEDMO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1COC(=O)N1 ZINC001007255743 752226095 /nfs/dbraw/zinc/22/60/95/752226095.db2.gz BNLSGHICFQXOJV-CVEARBPZSA-N 1 1 327.384 0.727 20 30 ECEDMO CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001029690223 748077158 /nfs/dbraw/zinc/07/71/58/748077158.db2.gz FOHVXLZCBJGXST-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO CN1CCC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001029690889 748079434 /nfs/dbraw/zinc/07/94/34/748079434.db2.gz KEUWQVBPBSKWBS-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001003035998 748102176 /nfs/dbraw/zinc/10/21/76/748102176.db2.gz IUONGSXOJKVZDT-HNNXBMFYSA-N 1 1 329.404 0.559 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC000979612973 748121217 /nfs/dbraw/zinc/12/12/17/748121217.db2.gz GVTRJFVIZKSPBE-UBHSHLNASA-N 1 1 329.404 0.463 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979614842 748123702 /nfs/dbraw/zinc/12/37/02/748123702.db2.gz SDTUWGRQFQAZPK-MQMHXKEQSA-N 1 1 340.387 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cnns2)CC1 ZINC001003056158 748124493 /nfs/dbraw/zinc/12/44/93/748124493.db2.gz MAJFREPHLBJZQA-HNNXBMFYSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cnns2)CC1 ZINC001003056158 748124498 /nfs/dbraw/zinc/12/44/98/748124498.db2.gz MAJFREPHLBJZQA-HNNXBMFYSA-N 1 1 333.461 0.716 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3nnc(C)o3)C2)C1=O ZINC001007270034 752241870 /nfs/dbraw/zinc/24/18/70/752241870.db2.gz XEMKVDXCNZVKAU-KBPBESRZSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3nnc(C)o3)C2)C1=O ZINC001007270034 752241873 /nfs/dbraw/zinc/24/18/73/752241873.db2.gz XEMKVDXCNZVKAU-KBPBESRZSA-N 1 1 347.419 0.288 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C[C@@H]1CCS(=O)(=O)C1 ZINC001029733524 748175778 /nfs/dbraw/zinc/17/57/78/748175778.db2.gz LOYADCBZTPAJIN-HOTGVXAUSA-N 1 1 338.473 0.615 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)CC3(O)CCC3)C2)C1=O ZINC001029732546 748184070 /nfs/dbraw/zinc/18/40/70/748184070.db2.gz XDVSAODEEBVKPD-CVEARBPZSA-N 1 1 349.475 0.859 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)CC3(O)CCC3)C2)C1=O ZINC001029732547 748184298 /nfs/dbraw/zinc/18/42/98/748184298.db2.gz XDVSAODEEBVKPD-HOTGVXAUSA-N 1 1 349.475 0.859 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC000985471899 748205661 /nfs/dbraw/zinc/20/56/61/748205661.db2.gz KFELCQQYNDOQFA-UHFFFAOYSA-N 1 1 329.828 0.521 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2nncn2C)CC1 ZINC000985476519 748218928 /nfs/dbraw/zinc/21/89/28/748218928.db2.gz UVCHWHNRWFJZGF-INIZCTEOSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2nncn2C)CC1 ZINC000985476519 748218937 /nfs/dbraw/zinc/21/89/37/748218937.db2.gz UVCHWHNRWFJZGF-INIZCTEOSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nonc2C)C1 ZINC001029757975 748269073 /nfs/dbraw/zinc/26/90/73/748269073.db2.gz NBBYNAHFNHQWBO-WBVHZDCISA-N 1 1 345.447 0.756 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C[C@@H]2CCc3ncnn32)[nH]1 ZINC001027830884 748271979 /nfs/dbraw/zinc/27/19/79/748271979.db2.gz IPYZMBOBGXOKHE-KGLIPLIRSA-N 1 1 339.403 0.860 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC000979737301 748315914 /nfs/dbraw/zinc/31/59/14/748315914.db2.gz YTKBXKVLZZNTPW-MELADBBJSA-N 1 1 346.435 0.170 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C[C@H]2C1 ZINC000979740538 748322287 /nfs/dbraw/zinc/32/22/87/748322287.db2.gz FNTFUDYGPQFESV-YDHLFZDLSA-N 1 1 326.462 0.824 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027835383 748381954 /nfs/dbraw/zinc/38/19/54/748381954.db2.gz BIDXISIFUAZXCK-JKSUJKDBSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027835383 748381965 /nfs/dbraw/zinc/38/19/65/748381965.db2.gz BIDXISIFUAZXCK-JKSUJKDBSA-N 1 1 341.415 0.867 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C[C@@H]2CCc3ncnn32)c[nH]1 ZINC001027835419 748383163 /nfs/dbraw/zinc/38/31/63/748383163.db2.gz CHEAHYZWZVUASJ-GJZGRUSLSA-N 1 1 339.403 0.860 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001029802946 748484498 /nfs/dbraw/zinc/48/44/98/748484498.db2.gz HGRLBBQJZHNLEG-DLBZAZTESA-N 1 1 340.427 0.975 20 30 ECEDMO Cn1nnnc1C[NH2+][C@@H]1CCCCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001088298953 748562633 /nfs/dbraw/zinc/56/26/33/748562633.db2.gz AGISTWQXTLGKAR-CYBMUJFWSA-N 1 1 342.407 0.584 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001059587284 748618669 /nfs/dbraw/zinc/61/86/69/748618669.db2.gz ONCJFMDYJUZUTC-SCRDCRAPSA-N 1 1 349.822 0.996 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001059587284 748618672 /nfs/dbraw/zinc/61/86/72/748618672.db2.gz ONCJFMDYJUZUTC-SCRDCRAPSA-N 1 1 349.822 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC000979907970 748649084 /nfs/dbraw/zinc/64/90/84/748649084.db2.gz SHBDZWVDHBOPQU-GMHRPJKWSA-N 1 1 345.443 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC000979907970 748649091 /nfs/dbraw/zinc/64/90/91/748649091.db2.gz SHBDZWVDHBOPQU-GMHRPJKWSA-N 1 1 345.443 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccsn2)C1 ZINC000979959902 748728062 /nfs/dbraw/zinc/72/80/62/748728062.db2.gz FSKQWRSAFARHQK-YDHLFZDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccsn2)C1 ZINC000979959902 748728066 /nfs/dbraw/zinc/72/80/66/748728066.db2.gz FSKQWRSAFARHQK-YDHLFZDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cocn2)C1 ZINC000979968511 748762194 /nfs/dbraw/zinc/76/21/94/748762194.db2.gz RYFGYKAMSCUWMB-YDHLFZDLSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cocn2)C1 ZINC000979968511 748762199 /nfs/dbraw/zinc/76/21/99/748762199.db2.gz RYFGYKAMSCUWMB-YDHLFZDLSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cncn2C)C1 ZINC000979969221 748763572 /nfs/dbraw/zinc/76/35/72/748763572.db2.gz ZHYNWEREPYIZLR-KKUMJFAQSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cncn2C)C1 ZINC000979969221 748763575 /nfs/dbraw/zinc/76/35/75/748763575.db2.gz ZHYNWEREPYIZLR-KKUMJFAQSA-N 1 1 343.431 0.142 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)cc1 ZINC001027861454 748802566 /nfs/dbraw/zinc/80/25/66/748802566.db2.gz XPOFMEUMJWUADX-HUUCEWRRSA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)cc1F ZINC001027860901 748818066 /nfs/dbraw/zinc/81/80/66/748818066.db2.gz MXHBGNCZTIWYFH-DZGCQCFKSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)cc1F ZINC001027860901 748818070 /nfs/dbraw/zinc/81/80/70/748818070.db2.gz MXHBGNCZTIWYFH-DZGCQCFKSA-N 1 1 346.362 0.886 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001059625541 748883580 /nfs/dbraw/zinc/88/35/80/748883580.db2.gz BMPAJSFISXHIRD-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001059625541 748883583 /nfs/dbraw/zinc/88/35/83/748883583.db2.gz BMPAJSFISXHIRD-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3ncccn3)CC2)nn1 ZINC000985696606 748887724 /nfs/dbraw/zinc/88/77/24/748887724.db2.gz VYTBKAXTXPJHRU-UHFFFAOYSA-N 1 1 341.419 0.991 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@@H+](C)Cc3ncccn3)CC2)nn1 ZINC000985696606 748887727 /nfs/dbraw/zinc/88/77/27/748887727.db2.gz VYTBKAXTXPJHRU-UHFFFAOYSA-N 1 1 341.419 0.991 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001003792418 748900780 /nfs/dbraw/zinc/90/07/80/748900780.db2.gz CTPHEFJJXXAPBZ-HNNXBMFYSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnnn2CC)C1=O ZINC001027870775 748928565 /nfs/dbraw/zinc/92/85/65/748928565.db2.gz CCRWVUMDJYIYBL-ZIAGYGMSSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnnn2CC)C1=O ZINC001027870775 748928573 /nfs/dbraw/zinc/92/85/73/748928573.db2.gz CCRWVUMDJYIYBL-ZIAGYGMSSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccc(C)nn2)C1=O ZINC001027880776 748998354 /nfs/dbraw/zinc/99/83/54/748998354.db2.gz TZWQHICCUSGXLP-HOCLYGCPSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccc(C)nn2)C1=O ZINC001027880776 748998359 /nfs/dbraw/zinc/99/83/59/748998359.db2.gz TZWQHICCUSGXLP-HOCLYGCPSA-N 1 1 343.431 0.766 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(=O)NC)C[C@H]3C2)c1 ZINC000980149173 749070904 /nfs/dbraw/zinc/07/09/04/749070904.db2.gz OBYYGLPVXJFERY-USXIJHARSA-N 1 1 340.427 0.639 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@@H]2C1 ZINC000980162502 749094070 /nfs/dbraw/zinc/09/40/70/749094070.db2.gz PRZRKRZJYUUTBO-GVDBMIGSSA-N 1 1 348.491 0.601 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001003973855 749096476 /nfs/dbraw/zinc/09/64/76/749096476.db2.gz GQXZFOXEMWEJLA-NVXWUHKLSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001003973855 749096484 /nfs/dbraw/zinc/09/64/84/749096484.db2.gz GQXZFOXEMWEJLA-NVXWUHKLSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C[C@@H]2C1 ZINC000980166582 749100679 /nfs/dbraw/zinc/10/06/79/749100679.db2.gz XSZMNVUWIVWFRT-XHSDSOJGSA-N 1 1 334.464 0.211 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)cn3)C[C@H]2C1 ZINC000980167757 749101799 /nfs/dbraw/zinc/10/17/99/749101799.db2.gz QQWIEKKGHSXNNF-KKUMJFAQSA-N 1 1 328.416 0.634 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 ZINC000980193313 749127156 /nfs/dbraw/zinc/12/71/56/749127156.db2.gz LPPVWDASRJBUCL-MJBXVCDLSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(=O)n(CC)n3)C[C@H]2C1 ZINC000980194998 749128996 /nfs/dbraw/zinc/12/89/96/749128996.db2.gz TZSGLVWSRLFKGV-SOUVJXGZSA-N 1 1 328.416 0.727 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nc4ncccn4n3)C[C@H]2C1 ZINC000980188314 749142965 /nfs/dbraw/zinc/14/29/65/749142965.db2.gz MDQJDTVVKBZZPH-SOUVJXGZSA-N 1 1 338.415 0.978 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001059654540 749150769 /nfs/dbraw/zinc/15/07/69/749150769.db2.gz JLFUYAWJNDZJJW-SCRDCRAPSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001059654540 749150775 /nfs/dbraw/zinc/15/07/75/749150775.db2.gz JLFUYAWJNDZJJW-SCRDCRAPSA-N 1 1 330.392 0.128 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001004056928 749166627 /nfs/dbraw/zinc/16/66/27/749166627.db2.gz XYYCKEBDNSEUAU-KRWDZBQOSA-N 1 1 325.412 0.680 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccon3)CC2)CC1 ZINC000985821662 749172824 /nfs/dbraw/zinc/17/28/24/749172824.db2.gz BSFQWKHZHVEICH-UHFFFAOYSA-N 1 1 347.419 0.746 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C=C(C)C)CC2)CC1 ZINC000985824217 749176186 /nfs/dbraw/zinc/17/61/86/749176186.db2.gz DEYXDWYRRIOGNV-UHFFFAOYSA-N 1 1 332.448 0.858 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)nc1 ZINC000980207229 749183776 /nfs/dbraw/zinc/18/37/76/749183776.db2.gz IYYLPSRDQHOAEC-QLFBSQMISA-N 1 1 326.400 0.379 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]2C1 ZINC000980207591 749185752 /nfs/dbraw/zinc/18/57/52/749185752.db2.gz KCOGAKRHWAPHNB-MJBXVCDLSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]2C1 ZINC000980209917 749188860 /nfs/dbraw/zinc/18/88/60/749188860.db2.gz NSEZMEFSDIAAJL-IHRRRGAJSA-N 1 1 346.431 0.167 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cnco3)CC2)CC1 ZINC000985829393 749194915 /nfs/dbraw/zinc/19/49/15/749194915.db2.gz GJWMNDVFARXILZ-UHFFFAOYSA-N 1 1 347.419 0.746 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cnn(CCOC)c3)C[C@@H]2C1 ZINC000980234934 749218021 /nfs/dbraw/zinc/21/80/21/749218021.db2.gz YGOXHUJETKZZIF-ZMSDIMECSA-N 1 1 330.432 0.993 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(C(N)=O)n3)C[C@@H]2C1 ZINC000980243790 749250368 /nfs/dbraw/zinc/25/03/68/749250368.db2.gz IGVLUZUAWASLOI-MJBXVCDLSA-N 1 1 326.400 0.644 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C[C@H]2C1 ZINC000980259329 749250982 /nfs/dbraw/zinc/25/09/82/749250982.db2.gz XXLXCHBEUPZCJP-MELADBBJSA-N 1 1 346.435 0.170 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC000980253948 749260448 /nfs/dbraw/zinc/26/04/48/749260448.db2.gz OBHIOJHOWWKFGN-RRFJBIMHSA-N 1 1 331.416 0.375 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)Cn3cc[nH+]c3C)C2)c1 ZINC001004198397 749304857 /nfs/dbraw/zinc/30/48/57/749304857.db2.gz DIRAMJIDJUQHFI-UHFFFAOYSA-N 1 1 337.383 0.456 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN(Cc3cnn(C)c3)CC2)CC1 ZINC001004210614 749321045 /nfs/dbraw/zinc/32/10/45/749321045.db2.gz XTNBSMLUDWTOFN-UHFFFAOYSA-N 1 1 343.475 0.846 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC001004372417 749436104 /nfs/dbraw/zinc/43/61/04/749436104.db2.gz ZAPHPYKRYPGXSV-VQHPVUNQSA-N 1 1 329.444 0.990 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCCNC3=O)C2)nc1 ZINC001029889791 749445646 /nfs/dbraw/zinc/44/56/46/749445646.db2.gz PCHJLFUWXCHRBF-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)c3)[C@H]2C)C1=O ZINC001088463686 749497171 /nfs/dbraw/zinc/49/71/71/749497171.db2.gz KFDLRTWPNGHNFG-VHDGCEQUSA-N 1 1 331.420 0.400 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)c3)[C@H]2C)C1=O ZINC001088463686 749497175 /nfs/dbraw/zinc/49/71/75/749497175.db2.gz KFDLRTWPNGHNFG-VHDGCEQUSA-N 1 1 331.420 0.400 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3ccnc3C)C2)C1=O ZINC000980410234 749514691 /nfs/dbraw/zinc/51/46/91/749514691.db2.gz ZRNYBIPNMUBLHK-CVEARBPZSA-N 1 1 345.447 0.511 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001004458465 749525216 /nfs/dbraw/zinc/52/52/16/749525216.db2.gz OSNFXNGEDJBAMD-UONOGXRCSA-N 1 1 334.420 0.474 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccnc(C)n3)C2)C1=O ZINC000980425678 749552155 /nfs/dbraw/zinc/55/21/55/749552155.db2.gz DNHKZJRCHONTPR-GDBMZVCRSA-N 1 1 343.431 0.718 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnsn3)[C@H]2C)C1=O ZINC001088481231 749598405 /nfs/dbraw/zinc/59/84/05/749598405.db2.gz SOJBPLKNHAAIMY-NTZNESFSSA-N 1 1 335.433 0.518 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnsn3)[C@H]2C)C1=O ZINC001088481231 749598409 /nfs/dbraw/zinc/59/84/09/749598409.db2.gz SOJBPLKNHAAIMY-NTZNESFSSA-N 1 1 335.433 0.518 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001004532942 749601146 /nfs/dbraw/zinc/60/11/46/749601146.db2.gz CZALEVHDZRCOLF-CABCVRRESA-N 1 1 332.404 0.357 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000986136023 749607395 /nfs/dbraw/zinc/60/73/95/749607395.db2.gz RHABATCUQGFIGR-YPMHNXCESA-N 1 1 342.407 0.847 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000986166519 749625701 /nfs/dbraw/zinc/62/57/01/749625701.db2.gz JIVVUXLYHFXOPN-YPMHNXCESA-N 1 1 342.407 0.676 20 30 ECEDMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000986179918 749638780 /nfs/dbraw/zinc/63/87/80/749638780.db2.gz BILYKGGJZUCFGS-HZMBPMFUSA-N 1 1 340.391 0.601 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001004579393 749652973 /nfs/dbraw/zinc/65/29/73/749652973.db2.gz KCFQHWIJFRGCLY-UONOGXRCSA-N 1 1 334.420 0.474 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001004624378 749701692 /nfs/dbraw/zinc/70/16/92/749701692.db2.gz SMWKXQAJLUZFAH-INIZCTEOSA-N 1 1 345.443 0.862 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001004626830 749704468 /nfs/dbraw/zinc/70/44/68/749704468.db2.gz ZRVCQYMPLMAGPQ-HNNXBMFYSA-N 1 1 348.447 0.817 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O ZINC000980539432 749709749 /nfs/dbraw/zinc/70/97/49/749709749.db2.gz QWQXTLBLMMRSMV-GJZGRUSLSA-N 1 1 331.420 0.203 20 30 ECEDMO C[C@H]1[C@@H]([NH2+]Cc2nnc3n2CCOC3)CCN1C(=O)C#CC1CC1 ZINC000986277134 749745692 /nfs/dbraw/zinc/74/56/92/749745692.db2.gz ISFPXXRLCPFRBU-JSGCOSHPSA-N 1 1 329.404 0.301 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001078251319 782559321 /nfs/dbraw/zinc/55/93/21/782559321.db2.gz HELLNYKSMHZICN-SJLPKXTDSA-N 1 1 325.412 0.905 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000980576462 749804286 /nfs/dbraw/zinc/80/42/86/749804286.db2.gz PDACGPRYXMLNGQ-VIQHNZTISA-N 1 1 349.475 0.930 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000980579083 749807127 /nfs/dbraw/zinc/80/71/27/749807127.db2.gz JGGOXWBTXPMZPK-SUJAAXHWSA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C3=COCCO3)CC2)C1=O ZINC000980661686 749936353 /nfs/dbraw/zinc/93/63/53/749936353.db2.gz IWVACXNNFFRTSE-AWEZNQCLSA-N 1 1 335.404 0.196 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C3=COCCO3)CC2)C1=O ZINC000980661686 749936360 /nfs/dbraw/zinc/93/63/60/749936360.db2.gz IWVACXNNFFRTSE-AWEZNQCLSA-N 1 1 335.404 0.196 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)[nH]3)[C@H]2C)C1=O ZINC001088495603 749995868 /nfs/dbraw/zinc/99/58/68/749995868.db2.gz BNAOKTXJXXAJRS-OSAQELSMSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(C)[nH]3)[C@H]2C)C1=O ZINC001088495603 749995872 /nfs/dbraw/zinc/99/58/72/749995872.db2.gz BNAOKTXJXXAJRS-OSAQELSMSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)C[C@@H]2C)nn1 ZINC000980715374 750009248 /nfs/dbraw/zinc/00/92/48/750009248.db2.gz BNNGEDRBCYCJFL-NWDGAFQWSA-N 1 1 347.448 0.956 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001058845188 750083434 /nfs/dbraw/zinc/08/34/34/750083434.db2.gz HOPFLIHLMDWADH-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058846585 750114722 /nfs/dbraw/zinc/11/47/22/750114722.db2.gz AEMAFZHUARVBIS-YJBOKZPZSA-N 1 1 339.480 0.868 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CCCN(C(=O)CC(N)=O)CC2)cc1 ZINC000980872466 750279078 /nfs/dbraw/zinc/27/90/78/750279078.db2.gz JUIDILHNSGLRCM-UHFFFAOYSA-N 1 1 330.388 0.499 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)[C@H](C)OC)CC1 ZINC000986795487 750360965 /nfs/dbraw/zinc/36/09/65/750360965.db2.gz HKEIWNBLIJJXDI-VYDXJSESSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)[C@H](C)OC)CC1 ZINC000986795487 750360970 /nfs/dbraw/zinc/36/09/70/750360970.db2.gz HKEIWNBLIJJXDI-VYDXJSESSA-N 1 1 349.475 0.862 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3nonc3C)C2)nn1 ZINC001105351698 750464245 /nfs/dbraw/zinc/46/42/45/750464245.db2.gz GPCKDDFZGGHLEO-UHFFFAOYSA-N 1 1 331.380 0.261 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cc(C)n[nH]2)C1 ZINC001005762187 750606167 /nfs/dbraw/zinc/60/61/67/750606167.db2.gz SGESVORBDLIUCJ-BBRMVZONSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cc(C)n[nH]2)C1 ZINC001005762187 750606170 /nfs/dbraw/zinc/60/61/70/750606170.db2.gz SGESVORBDLIUCJ-BBRMVZONSA-N 1 1 343.431 0.392 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001005803757 750655584 /nfs/dbraw/zinc/65/55/84/750655584.db2.gz KWQRZEHEMWSUTN-XHDPSFHLSA-N 1 1 329.404 0.557 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C)c1 ZINC000987463469 750877878 /nfs/dbraw/zinc/87/78/78/750877878.db2.gz ILTWNCFLYUABRR-COXVUDFISA-N 1 1 340.427 0.876 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC000981669204 750948453 /nfs/dbraw/zinc/94/84/53/750948453.db2.gz ISMXMJIGQZGNFQ-ZDUSSCGKSA-N 1 1 332.404 0.219 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000981718231 751009389 /nfs/dbraw/zinc/00/93/89/751009389.db2.gz HMXHJBXPPWLVFB-UHFFFAOYSA-N 1 1 329.404 0.513 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CC(=O)NCC3CC3)C2)nn1 ZINC001105357874 751014190 /nfs/dbraw/zinc/01/41/90/751014190.db2.gz MFFBXIUVRWRFIH-UHFFFAOYSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCC3)CC2)nn1 ZINC001006102645 751017715 /nfs/dbraw/zinc/01/77/15/751017715.db2.gz IDLCSNQXSIZKIZ-UHFFFAOYSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CC[NH+]([C@@H](C)C(N)=O)CC2)nn1 ZINC001006113574 751029480 /nfs/dbraw/zinc/02/94/80/751029480.db2.gz UOOPHZOTDQSJTD-LBPRGKRZSA-N 1 1 334.424 0.264 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4c3CCCC4)C2)nn1 ZINC001105357947 751083199 /nfs/dbraw/zinc/08/31/99/751083199.db2.gz OXAMADDRULZWDB-UHFFFAOYSA-N 1 1 341.419 0.784 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)Cc3nnn(C(C)(C)C)n3)C2)C1 ZINC000981789331 751104092 /nfs/dbraw/zinc/10/40/92/751104092.db2.gz DSXRUBNVKAIQBG-UHFFFAOYSA-N 1 1 344.463 0.918 20 30 ECEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC2(C1)CCCN(CC#N)C2 ZINC000981811900 751132830 /nfs/dbraw/zinc/13/28/30/751132830.db2.gz AVIXNEGWHGOPGH-HNNXBMFYSA-N 1 1 330.436 0.261 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C2)C1 ZINC000981812884 751133251 /nfs/dbraw/zinc/13/32/51/751133251.db2.gz XEUFGBMGXAZAJY-QGZVFWFLSA-N 1 1 343.475 0.761 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000981824223 751146131 /nfs/dbraw/zinc/14/61/31/751146131.db2.gz QOVSRQQLAFJESF-UHFFFAOYSA-N 1 1 328.416 0.975 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)C1CC[NH+](CC(=O)NC)CC1 ZINC001006267613 751182685 /nfs/dbraw/zinc/18/26/85/751182685.db2.gz SEOHAGXNVTUGHI-UHFFFAOYSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnn(CCOCC)c2)CC1 ZINC001098514373 751184580 /nfs/dbraw/zinc/18/45/80/751184580.db2.gz RNLJDDVYHCJGFP-UHFFFAOYSA-N 1 1 348.447 0.452 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC001098514408 751186391 /nfs/dbraw/zinc/18/63/91/751186391.db2.gz SQQZRHQUQXCVSJ-IYBDPMFKSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2(CF)CC2)C1 ZINC001006316691 751237731 /nfs/dbraw/zinc/23/77/31/751237731.db2.gz UXTGSEYXICRKNB-ZFWWWQNUSA-N 1 1 335.423 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2(CF)CC2)C1 ZINC001006316691 751237732 /nfs/dbraw/zinc/23/77/32/751237732.db2.gz UXTGSEYXICRKNB-ZFWWWQNUSA-N 1 1 335.423 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2cnc[nH]2)C1 ZINC001006317462 751239397 /nfs/dbraw/zinc/23/93/97/751239397.db2.gz ZUMRVVIMDZUJOE-CJNGLKHVSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2cnc[nH]2)C1 ZINC001006317462 751239401 /nfs/dbraw/zinc/23/94/01/751239401.db2.gz ZUMRVVIMDZUJOE-CJNGLKHVSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C(C)(F)F)C1 ZINC001006322770 751245236 /nfs/dbraw/zinc/24/52/36/751245236.db2.gz WGLGWBCSHIOPAX-YPMHNXCESA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C(C)(F)F)C1 ZINC001006322770 751245241 /nfs/dbraw/zinc/24/52/41/751245241.db2.gz WGLGWBCSHIOPAX-YPMHNXCESA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc(C)no2)C1 ZINC001006323594 751246000 /nfs/dbraw/zinc/24/60/00/751246000.db2.gz XVPPQXAFBFUYPK-ZFWWWQNUSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc(C)no2)C1 ZINC001006323594 751246006 /nfs/dbraw/zinc/24/60/06/751246006.db2.gz XVPPQXAFBFUYPK-ZFWWWQNUSA-N 1 1 344.415 0.657 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[N@@H+](CCCN3C(=O)CNC3=O)CC2)C1 ZINC000981909605 751263777 /nfs/dbraw/zinc/26/37/77/751263777.db2.gz ORHBZNXICJERGC-UHFFFAOYSA-N 1 1 348.447 0.819 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C2)C1 ZINC000981913629 751271601 /nfs/dbraw/zinc/27/16/01/751271601.db2.gz TWWRSSXRGLTQHQ-UHFFFAOYSA-N 1 1 339.399 0.502 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001006368525 751297902 /nfs/dbraw/zinc/29/79/02/751297902.db2.gz HQRBKFLPBQQAJM-BLLLJJGKSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007339206 752306812 /nfs/dbraw/zinc/30/68/12/752306812.db2.gz XVCCQXLJTYYQEP-UONOGXRCSA-N 1 1 331.420 0.919 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001007340832 752308945 /nfs/dbraw/zinc/30/89/45/752308945.db2.gz WMLWJEHDPRWXCW-OAHLLOKOSA-N 1 1 325.376 0.326 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001007340832 752308950 /nfs/dbraw/zinc/30/89/50/752308950.db2.gz WMLWJEHDPRWXCW-OAHLLOKOSA-N 1 1 325.376 0.326 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001028300543 752325096 /nfs/dbraw/zinc/32/50/96/752325096.db2.gz AVMSJSABRPLRDB-CQSZACIVSA-N 1 1 326.404 0.959 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncccn2)C1 ZINC001020945213 752372736 /nfs/dbraw/zinc/37/27/36/752372736.db2.gz AEJDPJVEKPHZMG-HDJSIYSDSA-N 1 1 337.383 0.934 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(C#N)nc1 ZINC001126355288 752382749 /nfs/dbraw/zinc/38/27/49/752382749.db2.gz IXLZYHPMOACWMU-CQSZACIVSA-N 1 1 331.420 0.474 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001059909751 752398899 /nfs/dbraw/zinc/39/88/99/752398899.db2.gz CAECZMKDDLTMKA-DZGCQCFKSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2[C@@H](CC)C(N)=O)CC1 ZINC001028334052 752413958 /nfs/dbraw/zinc/41/39/58/752413958.db2.gz VLDWYHGZRGAYMF-CVEARBPZSA-N 1 1 334.464 0.176 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001212031901 752429080 /nfs/dbraw/zinc/42/90/80/752429080.db2.gz AJAXVMQMGUPRFO-HZPDHXFCSA-N 1 1 347.415 0.304 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001212031901 752429083 /nfs/dbraw/zinc/42/90/83/752429083.db2.gz AJAXVMQMGUPRFO-HZPDHXFCSA-N 1 1 347.415 0.304 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC000988631432 752429420 /nfs/dbraw/zinc/42/94/20/752429420.db2.gz GYHXYXKUYCXFBM-BXUZGUMPSA-N 1 1 327.392 0.891 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1OC ZINC001212032288 752430417 /nfs/dbraw/zinc/43/04/17/752430417.db2.gz ULDGJFKCUAIEJF-ZIAGYGMSSA-N 1 1 338.408 0.329 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1OC ZINC001212032288 752430419 /nfs/dbraw/zinc/43/04/19/752430419.db2.gz ULDGJFKCUAIEJF-ZIAGYGMSSA-N 1 1 338.408 0.329 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212032160 752430524 /nfs/dbraw/zinc/43/05/24/752430524.db2.gz MZCVQDHRRCUKLO-QJPTWQEYSA-N 1 1 340.342 0.318 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212032160 752430527 /nfs/dbraw/zinc/43/05/27/752430527.db2.gz MZCVQDHRRCUKLO-QJPTWQEYSA-N 1 1 340.342 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ncc(C)cn2)C1 ZINC001007519233 752476060 /nfs/dbraw/zinc/47/60/60/752476060.db2.gz MMIQFCARUIIHGJ-SJORKVTESA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ncc(C)cn2)C1 ZINC001007519233 752476061 /nfs/dbraw/zinc/47/60/61/752476061.db2.gz MMIQFCARUIIHGJ-SJORKVTESA-N 1 1 341.459 0.963 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000988654225 752486058 /nfs/dbraw/zinc/48/60/58/752486058.db2.gz LORCMCLMCMSYQS-DGCLKSJQSA-N 1 1 342.407 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001007545169 752505435 /nfs/dbraw/zinc/50/54/35/752505435.db2.gz FALFKRXJXVGEET-UONOGXRCSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001007545169 752505440 /nfs/dbraw/zinc/50/54/40/752505440.db2.gz FALFKRXJXVGEET-UONOGXRCSA-N 1 1 345.403 0.163 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC000982493889 752514140 /nfs/dbraw/zinc/51/41/40/752514140.db2.gz BYBXGFWWVDDKFX-STQMWFEESA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC000982493889 752514146 /nfs/dbraw/zinc/51/41/46/752514146.db2.gz BYBXGFWWVDDKFX-STQMWFEESA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NCc3ccn(CC)n3)C2)CC1 ZINC001021089657 752529096 /nfs/dbraw/zinc/52/90/96/752529096.db2.gz HAXPBIPEGKSTNF-IYARVYRRSA-N 1 1 343.475 0.985 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](N[C@H](C)c3nncn3C)C2)CC1 ZINC001021090579 752531016 /nfs/dbraw/zinc/53/10/16/752531016.db2.gz ZOHAXHZAYDKKMG-FVQBIDKESA-N 1 1 344.463 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C)no3)C2)C1=O ZINC001028403416 752550308 /nfs/dbraw/zinc/55/03/08/752550308.db2.gz JDDHUTCFDBDLRJ-KGLIPLIRSA-N 1 1 332.404 0.822 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937853766 752574396 /nfs/dbraw/zinc/57/43/96/752574396.db2.gz RUIUVTGDBJNLKY-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937853766 752574401 /nfs/dbraw/zinc/57/44/01/752574401.db2.gz RUIUVTGDBJNLKY-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3COCCO3)C2)cc1 ZINC001028421752 752596143 /nfs/dbraw/zinc/59/61/43/752596143.db2.gz VIVMELDAYQKMSJ-DLBZAZTESA-N 1 1 329.400 0.912 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001098644751 752604491 /nfs/dbraw/zinc/60/44/91/752604491.db2.gz DUEUIECZDUSBDY-HOTGVXAUSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644751 752604496 /nfs/dbraw/zinc/60/44/96/752604496.db2.gz DUEUIECZDUSBDY-HOTGVXAUSA-N 1 1 330.436 0.259 20 30 ECEDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000982504325 752605080 /nfs/dbraw/zinc/60/50/80/752605080.db2.gz VBEPZMOLZSXWKM-HDICACEKSA-N 1 1 344.390 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cnon1 ZINC001021285352 752747252 /nfs/dbraw/zinc/74/72/52/752747252.db2.gz IOIKFSQSLJHECF-YQAQFAQXSA-N 1 1 343.431 0.779 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cnon1 ZINC001021285352 752747257 /nfs/dbraw/zinc/74/72/57/752747257.db2.gz IOIKFSQSLJHECF-YQAQFAQXSA-N 1 1 343.431 0.779 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087457927 752751291 /nfs/dbraw/zinc/75/12/91/752751291.db2.gz YVBQLSYCMZCRIK-BZUAXINKSA-N 1 1 344.390 0.414 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087457927 752751292 /nfs/dbraw/zinc/75/12/92/752751292.db2.gz YVBQLSYCMZCRIK-BZUAXINKSA-N 1 1 344.390 0.414 20 30 ECEDMO C[C@H](c1nncn1C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028491725 752835679 /nfs/dbraw/zinc/83/56/79/752835679.db2.gz IWJVOZUSNSGBAT-NEPJUHHUSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@H](c1nncn1C)[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028491725 752835686 /nfs/dbraw/zinc/83/56/86/752835686.db2.gz IWJVOZUSNSGBAT-NEPJUHHUSA-N 1 1 327.392 0.828 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)c[nH]1 ZINC001028492114 752837480 /nfs/dbraw/zinc/83/74/80/752837480.db2.gz ZTUDJQNLYVDFSP-CJNGLKHVSA-N 1 1 342.403 0.196 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](CNC(=O)c3ncccc3O)C2)C1=O ZINC001028499849 752916340 /nfs/dbraw/zinc/91/63/40/752916340.db2.gz LQAPTZQXSFRKMG-KBPBESRZSA-N 1 1 344.415 0.626 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ncccc3O)C2)C1=O ZINC001028499849 752916344 /nfs/dbraw/zinc/91/63/44/752916344.db2.gz LQAPTZQXSFRKMG-KBPBESRZSA-N 1 1 344.415 0.626 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001028521291 753037864 /nfs/dbraw/zinc/03/78/64/753037864.db2.gz FPERSFHZKSHXBT-SNVBAGLBSA-N 1 1 328.214 0.775 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001028521291 753037866 /nfs/dbraw/zinc/03/78/66/753037866.db2.gz FPERSFHZKSHXBT-SNVBAGLBSA-N 1 1 328.214 0.775 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)cc1F ZINC001028519948 753046575 /nfs/dbraw/zinc/04/65/75/753046575.db2.gz WHUBMNJEMVNGEJ-IUODEOHRSA-N 1 1 346.362 0.744 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001007949227 753115336 /nfs/dbraw/zinc/11/53/36/753115336.db2.gz CWSVMINBUHZCDE-AWEZNQCLSA-N 1 1 329.466 0.569 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001008022018 753205604 /nfs/dbraw/zinc/20/56/04/753205604.db2.gz BNUOBGUEORMHQQ-BBWFWOEESA-N 1 1 337.464 0.633 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000982668904 753251782 /nfs/dbraw/zinc/25/17/82/753251782.db2.gz RHQHVFBCHVWQRT-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000982665962 753258476 /nfs/dbraw/zinc/25/84/76/753258476.db2.gz TXCSXPAKQIUQBE-STQMWFEESA-N 1 1 329.404 0.416 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001051493811 762202301 /nfs/dbraw/zinc/20/23/01/762202301.db2.gz AHTKINJHEMCYAK-SWLSCSKDSA-N 1 1 332.408 0.165 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC001051494291 762204759 /nfs/dbraw/zinc/20/47/59/762204759.db2.gz HDSRIKFKJZRVRS-GHMZBOCLSA-N 1 1 325.800 0.550 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001028578857 753333569 /nfs/dbraw/zinc/33/35/69/753333569.db2.gz VXRFNXIZCBIXQB-KGLIPLIRSA-N 1 1 343.855 0.672 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001028578857 753333570 /nfs/dbraw/zinc/33/35/70/753333570.db2.gz VXRFNXIZCBIXQB-KGLIPLIRSA-N 1 1 343.855 0.672 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C)nc1 ZINC000989159173 753387746 /nfs/dbraw/zinc/38/77/46/753387746.db2.gz LFIVYMNIXHOFQX-UKPHBRMFSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(OC)no2)[C@@H]1C ZINC001088631538 753431481 /nfs/dbraw/zinc/43/14/81/753431481.db2.gz QLRBRKKJDCDNDR-KBMXLJTQSA-N 1 1 346.431 0.860 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(OC)no2)[C@@H]1C ZINC001088631538 753431487 /nfs/dbraw/zinc/43/14/87/753431487.db2.gz QLRBRKKJDCDNDR-KBMXLJTQSA-N 1 1 346.431 0.860 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cncn2C)[C@@H]1C ZINC001088630835 753443252 /nfs/dbraw/zinc/44/32/52/753443252.db2.gz COABMLLKDJVAMW-PVAVHDDUSA-N 1 1 329.448 0.597 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)[C@@H]1C ZINC001088630835 753443254 /nfs/dbraw/zinc/44/32/54/753443254.db2.gz COABMLLKDJVAMW-PVAVHDDUSA-N 1 1 329.448 0.597 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)[C@@H]1C ZINC001088630895 753443307 /nfs/dbraw/zinc/44/33/07/753443307.db2.gz GNWVYSVGHUOWDI-PVAVHDDUSA-N 1 1 346.475 0.284 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)[C@@H]1C ZINC001088630895 753443309 /nfs/dbraw/zinc/44/33/09/753443309.db2.gz GNWVYSVGHUOWDI-PVAVHDDUSA-N 1 1 346.475 0.284 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncnn2CC)[C@@H]1C ZINC001088631139 753443318 /nfs/dbraw/zinc/44/33/18/753443318.db2.gz UHHQLQJQOKVXTD-PMPSAXMXSA-N 1 1 344.463 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncnn2CC)[C@@H]1C ZINC001088631139 753443321 /nfs/dbraw/zinc/44/33/21/753443321.db2.gz UHHQLQJQOKVXTD-PMPSAXMXSA-N 1 1 344.463 0.475 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001008206161 753462026 /nfs/dbraw/zinc/46/20/26/753462026.db2.gz DGSMUTNYSCGBDW-HOTGVXAUSA-N 1 1 347.459 0.474 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001008206161 753462029 /nfs/dbraw/zinc/46/20/29/753462029.db2.gz DGSMUTNYSCGBDW-HOTGVXAUSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)[C@H]2C)C1=O ZINC001088642403 753502417 /nfs/dbraw/zinc/50/24/17/753502417.db2.gz DLGMMZWTUOKIBW-AGIUHOORSA-N 1 1 347.419 0.403 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)[C@H]2C)C1=O ZINC001088642403 753502422 /nfs/dbraw/zinc/50/24/22/753502422.db2.gz DLGMMZWTUOKIBW-AGIUHOORSA-N 1 1 347.419 0.403 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(=O)n(C)n3)C[C@@]2(C)C1 ZINC000982781577 753540309 /nfs/dbraw/zinc/54/03/09/753540309.db2.gz CKKNRIJWPIAYTL-HDICACEKSA-N 1 1 328.416 0.588 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC001008338450 753631180 /nfs/dbraw/zinc/63/11/80/753631180.db2.gz FGOBNWZGWGNBPD-OAHLLOKOSA-N 1 1 328.416 0.958 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O)n1cccn1 ZINC001083350468 753641899 /nfs/dbraw/zinc/64/18/99/753641899.db2.gz QMEASJCHAXALDF-XKQJLSEDSA-N 1 1 339.399 0.677 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O)n1cccn1 ZINC001083350468 753641904 /nfs/dbraw/zinc/64/19/04/753641904.db2.gz QMEASJCHAXALDF-XKQJLSEDSA-N 1 1 339.399 0.677 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H]1C ZINC001088662928 753644837 /nfs/dbraw/zinc/64/48/37/753644837.db2.gz HSYBGOPEULLQNJ-XQHKEYJVSA-N 1 1 334.338 0.935 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3ncc[nH]3)CC2)C1=O ZINC000982796072 753721737 /nfs/dbraw/zinc/72/17/37/753721737.db2.gz RKQHQVURYDLVOW-CQSZACIVSA-N 1 1 331.420 0.273 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3ncc[nH]3)CC2)C1=O ZINC000982796072 753721744 /nfs/dbraw/zinc/72/17/44/753721744.db2.gz RKQHQVURYDLVOW-CQSZACIVSA-N 1 1 331.420 0.273 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@]2(C)C1 ZINC000982799421 753771603 /nfs/dbraw/zinc/77/16/03/753771603.db2.gz SWLQFYCWOJMIEG-HDICACEKSA-N 1 1 346.431 0.846 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)c1 ZINC001083392571 753793622 /nfs/dbraw/zinc/79/36/22/753793622.db2.gz OUIJBEACYYCSBW-CVEARBPZSA-N 1 1 332.404 0.478 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC)C[C@H]1C(F)(F)F ZINC001008492215 753806846 /nfs/dbraw/zinc/80/68/46/753806846.db2.gz CRCPDCSREOBRKE-UPJWGTAASA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC)C[C@H]1C(F)(F)F ZINC001008492215 753806850 /nfs/dbraw/zinc/80/68/50/753806850.db2.gz CRCPDCSREOBRKE-UPJWGTAASA-N 1 1 345.365 1.000 20 30 ECEDMO CN(CCN(C)c1ccnc(C#N)n1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001105559121 753830565 /nfs/dbraw/zinc/83/05/65/753830565.db2.gz KVFYNEMRRMFTMI-UHFFFAOYSA-N 1 1 330.436 0.975 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@]2(C)C1 ZINC000982816768 753840401 /nfs/dbraw/zinc/84/04/01/753840401.db2.gz KUMSLXXFTUFSNG-YUELXQCFSA-N 1 1 327.450 0.035 20 30 ECEDMO CN(CCN(C)c1ccncc1C#N)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583026 753863122 /nfs/dbraw/zinc/86/31/22/753863122.db2.gz FOPAUKIFVNCVST-NVXWUHKLSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnc(C)o2)C1 ZINC001028600932 753875350 /nfs/dbraw/zinc/87/53/50/753875350.db2.gz FVQWKZNDULRXKR-CABCVRRESA-N 1 1 331.420 0.414 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnc(C)o2)C1 ZINC001028600932 753875359 /nfs/dbraw/zinc/87/53/59/753875359.db2.gz FVQWKZNDULRXKR-CABCVRRESA-N 1 1 331.420 0.414 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001028603601 753895817 /nfs/dbraw/zinc/89/58/17/753895817.db2.gz DXLSXSNQZGFINY-AEFFLSMTSA-N 1 1 341.459 0.821 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC[N@H+]1C ZINC000925320567 753988058 /nfs/dbraw/zinc/98/80/58/753988058.db2.gz MENWTLRJYAYSDI-HIFRSBDPSA-N 1 1 328.420 0.877 20 30 ECEDMO Cc1ccc(C#N)c(N(C)CCN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001105602219 754035302 /nfs/dbraw/zinc/03/53/02/754035302.db2.gz NJRXWNCHQNXCMK-GDBMZVCRSA-N 1 1 345.447 0.875 20 30 ECEDMO Cc1ccc(C#N)c(N(C)CCN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001105602219 754035306 /nfs/dbraw/zinc/03/53/06/754035306.db2.gz NJRXWNCHQNXCMK-GDBMZVCRSA-N 1 1 345.447 0.875 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nncs3)C[C@@H]2C)nn1 ZINC000989536040 754079102 /nfs/dbraw/zinc/07/91/02/754079102.db2.gz IBJVRKYVHFVFBZ-QWRGUYRKSA-N 1 1 333.421 0.708 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3ncnn3C)C2)CC1 ZINC000982888494 754098764 /nfs/dbraw/zinc/09/87/64/754098764.db2.gz CWZKUPLXXIBQHB-ZIAGYGMSSA-N 1 1 346.435 0.462 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028640898 754146543 /nfs/dbraw/zinc/14/65/43/754146543.db2.gz XORAGMYOYNNBIK-ZIAGYGMSSA-N 1 1 333.436 0.950 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001008817532 754152126 /nfs/dbraw/zinc/15/21/26/754152126.db2.gz CANASQRHNRUTNB-CQSZACIVSA-N 1 1 334.424 0.336 20 30 ECEDMO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)c1ncccn1 ZINC001051523621 762274540 /nfs/dbraw/zinc/27/45/40/762274540.db2.gz HUVIEMUSMGMICV-JSGCOSHPSA-N 1 1 340.387 0.868 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)s1 ZINC001051524985 762276622 /nfs/dbraw/zinc/27/66/22/762276622.db2.gz YVUHZODVFURSPY-LBPRGKRZSA-N 1 1 346.416 0.677 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000982920149 754197215 /nfs/dbraw/zinc/19/72/15/754197215.db2.gz CMZPEFXTAKYBCD-ZFWWWQNUSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000982920149 754197221 /nfs/dbraw/zinc/19/72/21/754197221.db2.gz CMZPEFXTAKYBCD-ZFWWWQNUSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001008847507 754198135 /nfs/dbraw/zinc/19/81/35/754198135.db2.gz SKUBEUSHIAETEZ-BRWVUGGUSA-N 1 1 330.432 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC000982922107 754204138 /nfs/dbraw/zinc/20/41/38/754204138.db2.gz JTCIXEWPOWEJLS-ZBFHGGJFSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC000982922107 754204143 /nfs/dbraw/zinc/20/41/43/754204143.db2.gz JTCIXEWPOWEJLS-ZBFHGGJFSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC000982923534 754206014 /nfs/dbraw/zinc/20/60/14/754206014.db2.gz PVQAHDJGNGSASX-HOCLYGCPSA-N 1 1 328.416 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC000982923534 754206018 /nfs/dbraw/zinc/20/60/18/754206018.db2.gz PVQAHDJGNGSASX-HOCLYGCPSA-N 1 1 328.416 0.691 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC000982924154 754209354 /nfs/dbraw/zinc/20/93/54/754209354.db2.gz VMBXDLSBUGFZSZ-HOCLYGCPSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC000982924154 754209362 /nfs/dbraw/zinc/20/93/62/754209362.db2.gz VMBXDLSBUGFZSZ-HOCLYGCPSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](NCc3ccn(C)n3)C[C@H]2C)CC1 ZINC000989829823 754483479 /nfs/dbraw/zinc/48/34/79/754483479.db2.gz WZAIOBNGHRLKNT-CRAIPNDOSA-N 1 1 343.475 0.844 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](NCc3cnns3)C[C@H]2C)CC1 ZINC000989828709 754497462 /nfs/dbraw/zinc/49/74/62/754497462.db2.gz HVAHUOUHFCOYBD-UKRRQHHQSA-N 1 1 347.488 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)[C@H]3C[C@H](C(=O)OC)CCN3C2=O)C1 ZINC000925325448 754508609 /nfs/dbraw/zinc/50/86/09/754508609.db2.gz LMBISSFBSZBBMM-HZSPNIEDSA-N 1 1 333.388 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)[C@H]3C[C@H](C(=O)OC)CCN3C2=O)C1 ZINC000925325448 754508615 /nfs/dbraw/zinc/50/86/15/754508615.db2.gz LMBISSFBSZBBMM-HZSPNIEDSA-N 1 1 333.388 0.300 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001028675878 754592573 /nfs/dbraw/zinc/59/25/73/754592573.db2.gz HAGHRJQEZXVOPT-HNNXBMFYSA-N 1 1 348.447 0.908 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)c3cc(CC)[nH]n3)CC2)C1=O ZINC000989981844 754618649 /nfs/dbraw/zinc/61/86/49/754618649.db2.gz WSWFHJMVYXVJST-HNNXBMFYSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1[C@H]2CN(C(=O)/C=C/C3CC3)C[C@@H]12 ZINC001009186848 754628748 /nfs/dbraw/zinc/62/87/48/754628748.db2.gz BAXFLGAMHBUMSQ-SNBXVQODSA-N 1 1 341.455 0.871 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1[C@H]2CN(C(=O)/C=C/C3CC3)C[C@@H]12 ZINC001009186848 754628752 /nfs/dbraw/zinc/62/87/52/754628752.db2.gz BAXFLGAMHBUMSQ-SNBXVQODSA-N 1 1 341.455 0.871 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001105872972 762318835 /nfs/dbraw/zinc/31/88/35/762318835.db2.gz GOXYORWWUYGYNW-HUUCEWRRSA-N 1 1 331.420 0.717 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCN(C)C3=O)C2)nc1 ZINC001009269424 754725634 /nfs/dbraw/zinc/72/56/34/754725634.db2.gz ODZYQNDYGMMEQM-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)nc1 ZINC001009269424 754725641 /nfs/dbraw/zinc/72/56/41/754725641.db2.gz ODZYQNDYGMMEQM-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001028709945 754785345 /nfs/dbraw/zinc/78/53/45/754785345.db2.gz QFOYXJOWIQEKMC-KURKYZTESA-N 1 1 349.475 0.328 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001009350647 754796709 /nfs/dbraw/zinc/79/67/09/754796709.db2.gz FZTCVMJJHSRSEJ-KRWDZBQOSA-N 1 1 327.428 0.879 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001009350647 754796710 /nfs/dbraw/zinc/79/67/10/754796710.db2.gz FZTCVMJJHSRSEJ-KRWDZBQOSA-N 1 1 327.428 0.879 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001028714901 754808591 /nfs/dbraw/zinc/80/85/91/754808591.db2.gz WTNOJTDWRUTBJV-GFCCVEGCSA-N 1 1 347.810 0.862 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001028714901 754808596 /nfs/dbraw/zinc/80/85/96/754808596.db2.gz WTNOJTDWRUTBJV-GFCCVEGCSA-N 1 1 347.810 0.862 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3coc(OC)n3)C2)C1=O ZINC001028716663 754821152 /nfs/dbraw/zinc/82/11/52/754821152.db2.gz DAZXNHCHENMFDF-OCCSQVGLSA-N 1 1 348.403 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000990222007 754855311 /nfs/dbraw/zinc/85/53/11/754855311.db2.gz WZOKYGXWZYFQMN-AWEZNQCLSA-N 1 1 334.807 0.706 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000990222007 754855314 /nfs/dbraw/zinc/85/53/14/754855314.db2.gz WZOKYGXWZYFQMN-AWEZNQCLSA-N 1 1 334.807 0.706 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070013000 790323323 /nfs/dbraw/zinc/32/33/23/790323323.db2.gz ZHAOWYOIUDHHOK-KURKYZTESA-N 1 1 335.411 0.983 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)cc1 ZINC001028730491 754887368 /nfs/dbraw/zinc/88/73/68/754887368.db2.gz JXMIKDUZPRYGPV-HNNXBMFYSA-N 1 1 334.441 0.764 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCS(C)(=O)=O)C2)cc1 ZINC001028730491 754887375 /nfs/dbraw/zinc/88/73/75/754887375.db2.gz JXMIKDUZPRYGPV-HNNXBMFYSA-N 1 1 334.441 0.764 20 30 ECEDMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC001051562799 762344309 /nfs/dbraw/zinc/34/43/09/762344309.db2.gz LAYCUWUCAVHXRG-CYBMUJFWSA-N 1 1 330.348 0.209 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)cc1 ZINC001028732935 754902834 /nfs/dbraw/zinc/90/28/34/754902834.db2.gz SYQPPQRRJFWIMR-INIZCTEOSA-N 1 1 340.427 0.745 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001028735960 754923963 /nfs/dbraw/zinc/92/39/63/754923963.db2.gz UVPKCPZTPZAOQY-DZGCQCFKSA-N 1 1 344.390 0.772 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001028743952 754951081 /nfs/dbraw/zinc/95/10/81/754951081.db2.gz FUZGJKQCLQOYBS-AWEZNQCLSA-N 1 1 342.378 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cc(OCC)ncn2)C1 ZINC001059106314 754955977 /nfs/dbraw/zinc/95/59/77/754955977.db2.gz KSTKTBLYFOOJKP-GJZGRUSLSA-N 1 1 343.431 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cc(OCC)ncn2)C1 ZINC001059106314 754955981 /nfs/dbraw/zinc/95/59/81/754955981.db2.gz KSTKTBLYFOOJKP-GJZGRUSLSA-N 1 1 343.431 0.986 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3F)C2)O1 ZINC001059108807 755025584 /nfs/dbraw/zinc/02/55/84/755025584.db2.gz HJIUZFBRMBJZBK-OSAQELSMSA-N 1 1 347.394 0.824 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3F)C2)O1 ZINC001059108807 755025588 /nfs/dbraw/zinc/02/55/88/755025588.db2.gz HJIUZFBRMBJZBK-OSAQELSMSA-N 1 1 347.394 0.824 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3conc3C)C2)C1=O ZINC001028780895 755096091 /nfs/dbraw/zinc/09/60/91/755096091.db2.gz WXHGLJSHEIOEIS-DZGCQCFKSA-N 1 1 332.404 0.822 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC001105878282 762362049 /nfs/dbraw/zinc/36/20/49/762362049.db2.gz MHWGRBZKSHGPKN-KWCYVHTRSA-N 1 1 333.436 0.707 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000983302970 755106011 /nfs/dbraw/zinc/10/60/11/755106011.db2.gz LDWIRXVZRNNSQJ-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000983306448 755116640 /nfs/dbraw/zinc/11/66/40/755116640.db2.gz SXULCPBWSQIVPY-ZIAGYGMSSA-N 1 1 343.431 0.949 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001060034367 755159645 /nfs/dbraw/zinc/15/96/45/755159645.db2.gz GSXGYIZMICGAME-AWEZNQCLSA-N 1 1 339.403 0.626 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001028808656 755197740 /nfs/dbraw/zinc/19/77/40/755197740.db2.gz CMVQIPXDUSHWIC-MCIONIFRSA-N 1 1 330.450 0.060 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001028808656 755197743 /nfs/dbraw/zinc/19/77/43/755197743.db2.gz CMVQIPXDUSHWIC-MCIONIFRSA-N 1 1 330.450 0.060 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cn(CC)nn2)C1 ZINC001028812753 755206785 /nfs/dbraw/zinc/20/67/85/755206785.db2.gz MVWCHDMFKLOWQI-BMFZPTHFSA-N 1 1 333.436 0.827 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cn(CC)nn2)C1 ZINC001028812753 755206790 /nfs/dbraw/zinc/20/67/90/755206790.db2.gz MVWCHDMFKLOWQI-BMFZPTHFSA-N 1 1 333.436 0.827 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001028812776 755206854 /nfs/dbraw/zinc/20/68/54/755206854.db2.gz NWYWFVARCRDQEE-XHSDSOJGSA-N 1 1 335.448 0.638 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cc(OC)no3)C2)nn1 ZINC001028852234 755309827 /nfs/dbraw/zinc/30/98/27/755309827.db2.gz GSRLLFINDMVQSU-LBPRGKRZSA-N 1 1 346.391 0.713 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cc(OC)no3)C2)nn1 ZINC001028852234 755309830 /nfs/dbraw/zinc/30/98/30/755309830.db2.gz GSRLLFINDMVQSU-LBPRGKRZSA-N 1 1 346.391 0.713 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001028860805 755329696 /nfs/dbraw/zinc/32/96/96/755329696.db2.gz FDOVJZNUVQOWPL-PMPSAXMXSA-N 1 1 333.436 0.697 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001028864074 755335693 /nfs/dbraw/zinc/33/56/93/755335693.db2.gz JOLLWNDZTQKWPI-KMFMINBZSA-N 1 1 335.448 0.684 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001028899494 755429944 /nfs/dbraw/zinc/42/99/44/755429944.db2.gz KWHUUHOWFSQXAW-LSDHHAIUSA-N 1 1 331.420 0.390 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001028899782 755434379 /nfs/dbraw/zinc/43/43/79/755434379.db2.gz OODRMZZHKZAICC-LSDHHAIUSA-N 1 1 331.420 0.390 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cn(CCOC)nn3)CCC[C@H]12 ZINC000990588648 755455827 /nfs/dbraw/zinc/45/58/27/755455827.db2.gz LZTCARDYLVXRSN-RDJZCZTQSA-N 1 1 331.420 0.675 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccncc2F)C1 ZINC000990601686 755473862 /nfs/dbraw/zinc/47/38/62/755473862.db2.gz NCCJISDWUDISCA-HNNXBMFYSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccncc2F)C1 ZINC000990601686 755473864 /nfs/dbraw/zinc/47/38/64/755473864.db2.gz NCCJISDWUDISCA-HNNXBMFYSA-N 1 1 330.363 0.259 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083472563 755592292 /nfs/dbraw/zinc/59/22/92/755592292.db2.gz FBMPWTQONKXCGT-PILAGYSTSA-N 1 1 342.443 0.560 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)nn1 ZINC001098654944 755598020 /nfs/dbraw/zinc/59/80/20/755598020.db2.gz DFWBVQDMKWUWKQ-TZMCWYRMSA-N 1 1 333.392 0.280 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)[C@@H](O)C1 ZINC001083483721 755641817 /nfs/dbraw/zinc/64/18/17/755641817.db2.gz GFHPUBSRWBDQIE-BBWFWOEESA-N 1 1 349.475 0.763 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC001088782568 755649183 /nfs/dbraw/zinc/64/91/83/755649183.db2.gz YNJCUJDRVGGCPN-KGLIPLIRSA-N 1 1 329.404 0.651 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)c1 ZINC000990703299 755651823 /nfs/dbraw/zinc/65/18/23/755651823.db2.gz IOSBOSLHRAAQFN-GOEBONIOSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3C)[C@H]2C)C1=O ZINC001088784397 755659164 /nfs/dbraw/zinc/65/91/64/755659164.db2.gz XDJKMMZPQOLLRF-SNPRPXQTSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3C)[C@H]2C)C1=O ZINC001088784397 755659168 /nfs/dbraw/zinc/65/91/68/755659168.db2.gz XDJKMMZPQOLLRF-SNPRPXQTSA-N 1 1 331.420 0.698 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2COc3ccccc3O2)[C@@H](O)C1 ZINC001083494084 755695613 /nfs/dbraw/zinc/69/56/13/755695613.db2.gz JABCOERCYKFMBE-KFWWJZLASA-N 1 1 330.384 0.401 20 30 ECEDMO C=C(C)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CNC(C)=O)CC1 ZINC001105674144 755805467 /nfs/dbraw/zinc/80/54/67/755805467.db2.gz SSSTUSUPPPVTSG-HDICACEKSA-N 1 1 348.491 0.838 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)[C@@H](O)C1 ZINC001083519714 755872575 /nfs/dbraw/zinc/87/25/75/755872575.db2.gz HFLILBKJLRQYDT-OLZOCXBDSA-N 1 1 334.420 0.335 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076008787 755987133 /nfs/dbraw/zinc/98/71/33/755987133.db2.gz HNMMRDDMAHXACV-QWHCGFSZSA-N 1 1 339.823 0.811 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076008787 755987136 /nfs/dbraw/zinc/98/71/36/755987136.db2.gz HNMMRDDMAHXACV-QWHCGFSZSA-N 1 1 339.823 0.811 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2ccc(C)c3C)[C@@H](O)C1 ZINC001083538738 755987944 /nfs/dbraw/zinc/98/79/44/755987944.db2.gz NXHHMPIVNGKGJL-WBVHZDCISA-N 1 1 326.400 0.749 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001076028695 756017606 /nfs/dbraw/zinc/01/76/06/756017606.db2.gz KTTLGGJEGCOXFU-YOEHRIQHSA-N 1 1 343.427 0.623 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001076028695 756017611 /nfs/dbraw/zinc/01/76/11/756017611.db2.gz KTTLGGJEGCOXFU-YOEHRIQHSA-N 1 1 343.427 0.623 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001076057497 756041976 /nfs/dbraw/zinc/04/19/76/756041976.db2.gz AHDRLHRCDHFZJY-JJXSEGSLSA-N 1 1 333.432 0.356 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001076074254 756059455 /nfs/dbraw/zinc/05/94/55/756059455.db2.gz SCYPHZHLFSUJRR-SWLSCSKDSA-N 1 1 331.420 0.995 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001076103320 756083033 /nfs/dbraw/zinc/08/30/33/756083033.db2.gz RJZLIIJTPBXFBZ-GXTWGEPZSA-N 1 1 330.388 0.295 20 30 ECEDMO CC1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001010457144 756151031 /nfs/dbraw/zinc/15/10/31/756151031.db2.gz JWWAPJRJEARVIF-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1CCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001010457144 756151035 /nfs/dbraw/zinc/15/10/35/756151035.db2.gz JWWAPJRJEARVIF-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncccc3C)C2)C1=O ZINC001010486823 756176075 /nfs/dbraw/zinc/17/60/75/756176075.db2.gz CTESIJHMDHAHMV-GJZGRUSLSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncccc3C)C2)C1=O ZINC001010486823 756176078 /nfs/dbraw/zinc/17/60/78/756176078.db2.gz CTESIJHMDHAHMV-GJZGRUSLSA-N 1 1 328.416 0.981 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001076182942 756181194 /nfs/dbraw/zinc/18/11/94/756181194.db2.gz FOQQATFDWPYXAX-WFASDCNBSA-N 1 1 331.420 0.995 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12 ZINC000991649951 762448937 /nfs/dbraw/zinc/44/89/37/762448937.db2.gz ARFRCUOWJSYNME-DYVFJYSZSA-N 1 1 330.388 0.085 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(N4CCCC4)ncn3)[C@@H]2C1 ZINC001076244392 756275762 /nfs/dbraw/zinc/27/57/62/756275762.db2.gz QQSBQGMFJBTKSP-GOEBONIOSA-N 1 1 325.416 0.856 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(N4CCCC4)ncn3)[C@@H]2C1 ZINC001076244392 756275767 /nfs/dbraw/zinc/27/57/67/756275767.db2.gz QQSBQGMFJBTKSP-GOEBONIOSA-N 1 1 325.416 0.856 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001076262398 756299120 /nfs/dbraw/zinc/29/91/20/756299120.db2.gz ACFBXWJOIQLEPU-JJXSEGSLSA-N 1 1 333.432 0.343 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001076262398 756299123 /nfs/dbraw/zinc/29/91/23/756299123.db2.gz ACFBXWJOIQLEPU-JJXSEGSLSA-N 1 1 333.432 0.343 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001010623276 756317059 /nfs/dbraw/zinc/31/70/59/756317059.db2.gz BRKWZKUJWRMKIP-ZFWWWQNUSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001010623276 756317062 /nfs/dbraw/zinc/31/70/62/756317062.db2.gz BRKWZKUJWRMKIP-ZFWWWQNUSA-N 1 1 329.404 0.376 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001010651595 756352587 /nfs/dbraw/zinc/35/25/87/756352587.db2.gz MZDFDDWBUGEAJP-INIZCTEOSA-N 1 1 329.444 0.803 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ccnn1C ZINC001076311009 756353335 /nfs/dbraw/zinc/35/33/35/756353335.db2.gz RRXAPLRURLZGLH-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ccnn1C ZINC001076311009 756353338 /nfs/dbraw/zinc/35/33/38/756353338.db2.gz RRXAPLRURLZGLH-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051610999 762462877 /nfs/dbraw/zinc/46/28/77/762462877.db2.gz GTJZYHFRGXCOIA-OAHLLOKOSA-N 1 1 331.420 0.589 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)c[nH]1 ZINC001010670915 756377239 /nfs/dbraw/zinc/37/72/39/756377239.db2.gz QXASBNLZWPVGJU-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)c[nH]1 ZINC001010670915 756377242 /nfs/dbraw/zinc/37/72/42/756377242.db2.gz QXASBNLZWPVGJU-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010687745 756398275 /nfs/dbraw/zinc/39/82/75/756398275.db2.gz FOLSSHWHNMCTCV-QZTJIDSGSA-N 1 1 327.428 0.559 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010687745 756398281 /nfs/dbraw/zinc/39/82/81/756398281.db2.gz FOLSSHWHNMCTCV-QZTJIDSGSA-N 1 1 327.428 0.559 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c[nH]1 ZINC001010700245 756415886 /nfs/dbraw/zinc/41/58/86/756415886.db2.gz WWEMACGYWJWHNF-OCCSQVGLSA-N 1 1 325.376 0.469 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CC3OCCCO3)C2)C1=O ZINC001010761983 756492222 /nfs/dbraw/zinc/49/22/22/756492222.db2.gz WVOWNGJZHCVGTF-ZIAGYGMSSA-N 1 1 337.420 0.117 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CC3OCCCO3)C2)C1=O ZINC001010761983 756492226 /nfs/dbraw/zinc/49/22/26/756492226.db2.gz WVOWNGJZHCVGTF-ZIAGYGMSSA-N 1 1 337.420 0.117 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)nc1 ZINC001076475932 756562579 /nfs/dbraw/zinc/56/25/79/756562579.db2.gz MVCUCDLEEGVDSD-BHYGNILZSA-N 1 1 338.411 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)cn1 ZINC001076477251 756564167 /nfs/dbraw/zinc/56/41/67/756564167.db2.gz WOPHRUPDKCJVCF-DOTOQJQBSA-N 1 1 338.411 0.442 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)cn1 ZINC001076477251 756564168 /nfs/dbraw/zinc/56/41/68/756564168.db2.gz WOPHRUPDKCJVCF-DOTOQJQBSA-N 1 1 338.411 0.442 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cn(C)nn3)C2)cc1C#N ZINC001010852285 756601713 /nfs/dbraw/zinc/60/17/13/756601713.db2.gz MTUUFOOJNINDHF-CQSZACIVSA-N 1 1 340.387 0.700 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cn(C)nn3)C2)cc1C#N ZINC001010852285 756601718 /nfs/dbraw/zinc/60/17/18/756601718.db2.gz MTUUFOOJNINDHF-CQSZACIVSA-N 1 1 340.387 0.700 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ncn(C)n3)C2)cc1C#N ZINC001010868433 756617417 /nfs/dbraw/zinc/61/74/17/756617417.db2.gz GQNDBJVEKDKMQO-AWEZNQCLSA-N 1 1 340.387 0.700 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ncn(C)n3)C2)cc1C#N ZINC001010868433 756617420 /nfs/dbraw/zinc/61/74/20/756617420.db2.gz GQNDBJVEKDKMQO-AWEZNQCLSA-N 1 1 340.387 0.700 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001010868650 756617978 /nfs/dbraw/zinc/61/79/78/756617978.db2.gz LCLOTICINPDCMY-GJZGRUSLSA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001010868647 756618283 /nfs/dbraw/zinc/61/82/83/756618283.db2.gz LCLOTICINPDCMY-CABCVRRESA-N 1 1 332.448 0.939 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cncn4)[C@@H]3C2)s1 ZINC001076541861 756626045 /nfs/dbraw/zinc/62/60/45/756626045.db2.gz VXFGFJMJRJIVEA-SWLSCSKDSA-N 1 1 342.428 0.944 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cncn4)[C@@H]3C2)s1 ZINC001076541861 756626050 /nfs/dbraw/zinc/62/60/50/756626050.db2.gz VXFGFJMJRJIVEA-SWLSCSKDSA-N 1 1 342.428 0.944 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CN4CCCC4)[C@@H]3C2)C1=O ZINC001076575001 756662930 /nfs/dbraw/zinc/66/29/30/756662930.db2.gz VMLPUWIQXRMJJE-YESZJQIVSA-N 1 1 346.475 0.402 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CN4CCCC4)[C@@H]3C2)C1=O ZINC001076575001 756662935 /nfs/dbraw/zinc/66/29/35/756662935.db2.gz VMLPUWIQXRMJJE-YESZJQIVSA-N 1 1 346.475 0.402 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001051619275 762489049 /nfs/dbraw/zinc/48/90/49/762489049.db2.gz JNVMHDQTAAQCIF-XHSDSOJGSA-N 1 1 335.404 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CCCOC1 ZINC001076613837 756737411 /nfs/dbraw/zinc/73/74/11/756737411.db2.gz UEBUOOJJRVCQID-BBWFWOEESA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CCCOC1 ZINC001076613837 756737412 /nfs/dbraw/zinc/73/74/12/756737412.db2.gz UEBUOOJJRVCQID-BBWFWOEESA-N 1 1 349.475 0.912 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001011020206 756774890 /nfs/dbraw/zinc/77/48/90/756774890.db2.gz UWDCASMHEOWQQV-UHFFFAOYSA-N 1 1 343.431 0.903 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990936450 756916078 /nfs/dbraw/zinc/91/60/78/756916078.db2.gz VOEGKHTWJVBXOS-HNNXBMFYSA-N 1 1 329.404 0.700 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)C[C@@H]3C2)c[nH]1 ZINC001048771927 756945578 /nfs/dbraw/zinc/94/55/78/756945578.db2.gz CTZJMGKVTCAJIC-GASCZTMLSA-N 1 1 341.415 0.513 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771999 756945827 /nfs/dbraw/zinc/94/58/27/756945827.db2.gz SCRHEHVVIZDFMK-UTUOFQBUSA-N 1 1 340.391 0.175 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771999 756945832 /nfs/dbraw/zinc/94/58/32/756945832.db2.gz SCRHEHVVIZDFMK-UTUOFQBUSA-N 1 1 340.391 0.175 20 30 ECEDMO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1c[nH]c(C#N)c1 ZINC001076744710 756969861 /nfs/dbraw/zinc/96/98/61/756969861.db2.gz SUSZEDGLKFZNKB-YWPYICTPSA-N 1 1 331.420 0.851 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC000996118091 756984520 /nfs/dbraw/zinc/98/45/20/756984520.db2.gz IZQNYNRDOBEZMX-UGUYLWEFSA-N 1 1 341.415 0.842 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@H]3C2)s1 ZINC001048796481 757026972 /nfs/dbraw/zinc/02/69/72/757026972.db2.gz RYAPWNWGNFCBNH-WDMOLILDSA-N 1 1 346.412 0.618 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001011159697 757064649 /nfs/dbraw/zinc/06/46/49/757064649.db2.gz BUMVCOLXKJBQAC-JYJNAYRXSA-N 1 1 335.448 0.590 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001048813459 757076647 /nfs/dbraw/zinc/07/66/47/757076647.db2.gz DASRSIBNVVGQOI-GJZGRUSLSA-N 1 1 337.464 0.406 20 30 ECEDMO CCn1nc(C)c(C[N@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048813361 757076856 /nfs/dbraw/zinc/07/68/56/757076856.db2.gz OOPYQHOLXKRBEZ-IYBDPMFKSA-N 1 1 327.432 0.910 20 30 ECEDMO CCn1nc(C)c(C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048813361 757076862 /nfs/dbraw/zinc/07/68/62/757076862.db2.gz OOPYQHOLXKRBEZ-IYBDPMFKSA-N 1 1 327.432 0.910 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001048824940 757116533 /nfs/dbraw/zinc/11/65/33/757116533.db2.gz PZAYSQZKWXWPMK-GJZGRUSLSA-N 1 1 335.448 0.160 20 30 ECEDMO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048828177 757125139 /nfs/dbraw/zinc/12/51/39/757125139.db2.gz HTCXSBIUBMLFTM-KKUMJFAQSA-N 1 1 335.448 0.160 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3COC(=O)C3)nn2)C1 ZINC001107158959 757130812 /nfs/dbraw/zinc/13/08/12/757130812.db2.gz HIEXPRBCPOGKLF-LBPRGKRZSA-N 1 1 333.392 0.280 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 ZINC001048842535 757154363 /nfs/dbraw/zinc/15/43/63/757154363.db2.gz DFDVCOOJMXFVAX-CALCHBBNSA-N 1 1 336.399 0.740 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCCC(=O)NC)nn2)C1 ZINC001107161940 757189335 /nfs/dbraw/zinc/18/93/35/757189335.db2.gz FFSWREZPHQUYPK-UHFFFAOYSA-N 1 1 334.424 0.243 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@H]2C1 ZINC001048855713 757192039 /nfs/dbraw/zinc/19/20/39/757192039.db2.gz IXYSGZQMPMCEQI-MELADBBJSA-N 1 1 330.436 0.555 20 30 ECEDMO C#CCOCCC(=O)NCc1cn(C2C[NH+](CC[C@@H](C)F)C2)nn1 ZINC001107170673 757210488 /nfs/dbraw/zinc/21/04/88/757210488.db2.gz ANEJRJOZIMSIRA-CYBMUJFWSA-N 1 1 337.399 0.539 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001048863549 757219703 /nfs/dbraw/zinc/21/97/03/757219703.db2.gz GMENEGOEHBKBGP-UXLLHSPISA-N 1 1 342.443 0.909 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC001048869403 757235524 /nfs/dbraw/zinc/23/55/24/757235524.db2.gz WJQWODMAFHVADA-OKYOBFRVSA-N 1 1 345.487 0.901 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001048874442 757253522 /nfs/dbraw/zinc/25/35/22/757253522.db2.gz ZNVVFFSZLIJNRY-PMPSAXMXSA-N 1 1 335.448 0.162 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001076812318 757255445 /nfs/dbraw/zinc/25/54/45/757255445.db2.gz CZRRMBOFHBRCIT-BRWVUGGUSA-N 1 1 346.406 0.453 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3ccnn3C)nn2)C1 ZINC001107176792 757257333 /nfs/dbraw/zinc/25/73/33/757257333.db2.gz NOWBHEKXLSTTNT-UHFFFAOYSA-N 1 1 343.435 0.693 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC001011239738 757268248 /nfs/dbraw/zinc/26/82/48/757268248.db2.gz DFKCYQLDDTTYRT-JKSUJKDBSA-N 1 1 347.459 0.877 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048879806 757277229 /nfs/dbraw/zinc/27/72/29/757277229.db2.gz XJUSCBAJCJEOCV-MCIONIFRSA-N 1 1 325.840 0.998 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12 ZINC000990994881 757305020 /nfs/dbraw/zinc/30/50/20/757305020.db2.gz GBJWXRLCFHJHQP-ZBFHGGJFSA-N 1 1 339.461 0.158 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)C(C)(C)[N@H+](C)CC)nn2)C1 ZINC001107181957 757316648 /nfs/dbraw/zinc/31/66/48/757316648.db2.gz LHTPSCSEOKQWHC-UHFFFAOYSA-N 1 1 332.452 0.505 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2O)c1 ZINC001076855784 757397806 /nfs/dbraw/zinc/39/78/06/757397806.db2.gz NDWZIMXIYCXOML-HUUCEWRRSA-N 1 1 330.413 0.965 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@H]2C1 ZINC001048921150 757417474 /nfs/dbraw/zinc/41/74/74/757417474.db2.gz SAVQFEBIHTUSHO-OKILXGFUSA-N 1 1 340.383 0.440 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)c3cnc4sccn4c3=O)C[C@H]2C1 ZINC001048923993 757426623 /nfs/dbraw/zinc/42/66/23/757426623.db2.gz LHCHGYLXRSFFHC-TXEJJXNPSA-N 1 1 330.413 0.946 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)cn1 ZINC001021440404 757448084 /nfs/dbraw/zinc/44/80/84/757448084.db2.gz JRFDFPHMFAAEGH-RJPYNODJSA-N 1 1 326.400 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC(=C)C)C1 ZINC001048937262 757462235 /nfs/dbraw/zinc/46/22/35/757462235.db2.gz CGCFYLCGLUDURF-ULQDDVLXSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC(=C)C)C1 ZINC001048937262 757462238 /nfs/dbraw/zinc/46/22/38/757462238.db2.gz CGCFYLCGLUDURF-ULQDDVLXSA-N 1 1 347.459 0.470 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)CN3CCCCS3(=O)=O)C[C@H]2C1 ZINC001048939563 757470156 /nfs/dbraw/zinc/47/01/56/757470156.db2.gz SBSDSOKABYALGV-GASCZTMLSA-N 1 1 341.477 0.378 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nc(C)nn4C3)C[C@H]2C1 ZINC001048955000 757504612 /nfs/dbraw/zinc/50/46/12/757504612.db2.gz NBNWSZVWWGLUOS-HRCADAONSA-N 1 1 327.432 0.562 20 30 ECEDMO CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001076898510 757516137 /nfs/dbraw/zinc/51/61/37/757516137.db2.gz MJTXKGKAAURWKC-MOBWVJJFSA-N 1 1 332.404 0.476 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)[nH]1 ZINC001076898507 757516207 /nfs/dbraw/zinc/51/62/07/757516207.db2.gz MFPXPTQBDZJEAL-FVQBIDKESA-N 1 1 332.404 0.620 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@H]2C1 ZINC001048964393 757534790 /nfs/dbraw/zinc/53/47/90/757534790.db2.gz CUMXRKACLZEQHM-HRCADAONSA-N 1 1 342.443 0.951 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@H]2C1 ZINC001048965716 757539741 /nfs/dbraw/zinc/53/97/41/757539741.db2.gz VSFNFYXOOHNXOP-HRCADAONSA-N 1 1 342.443 0.951 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001076901072 757543511 /nfs/dbraw/zinc/54/35/11/757543511.db2.gz QGQZBZRALIHHDB-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O)n1cncn1 ZINC001076904669 757553464 /nfs/dbraw/zinc/55/34/64/757553464.db2.gz NZMUASIAYALNOF-DAXOMENPSA-N 1 1 340.387 0.072 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O)n1cncn1 ZINC001076904669 757553467 /nfs/dbraw/zinc/55/34/67/757553467.db2.gz NZMUASIAYALNOF-DAXOMENPSA-N 1 1 340.387 0.072 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001105900709 762561352 /nfs/dbraw/zinc/56/13/52/762561352.db2.gz TWJNJXLINQPJFW-CYBMUJFWSA-N 1 1 343.391 0.223 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC001021552799 757596659 /nfs/dbraw/zinc/59/66/59/757596659.db2.gz BNHSZAOMJVXXAG-HIFRSBDPSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001021586898 757646950 /nfs/dbraw/zinc/64/69/50/757646950.db2.gz FYLXCVZPLQVBED-GJZGRUSLSA-N 1 1 345.443 0.718 20 30 ECEDMO C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)C1CCC1 ZINC001021593750 757658409 /nfs/dbraw/zinc/65/84/09/757658409.db2.gz OLZGJAQUODEJFO-DOTOQJQBSA-N 1 1 329.444 0.943 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cncnc3)C2)c1 ZINC001076934450 757660616 /nfs/dbraw/zinc/66/06/16/757660616.db2.gz GVPWTSIALQIJDU-IAGOWNOFSA-N 1 1 337.383 0.252 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cncnc3)C2)c1 ZINC001076934450 757660621 /nfs/dbraw/zinc/66/06/21/757660621.db2.gz GVPWTSIALQIJDU-IAGOWNOFSA-N 1 1 337.383 0.252 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(CC(F)(F)F)C3)C[C@H]2C1 ZINC001049006934 757674895 /nfs/dbraw/zinc/67/48/95/757674895.db2.gz NEXSEPXYIRTSPU-MELADBBJSA-N 1 1 329.366 0.894 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021604837 757677533 /nfs/dbraw/zinc/67/75/33/757677533.db2.gz HAPZWQODXWFSCP-JKSUJKDBSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn3c(n2)COCC3)C1 ZINC001021612237 757684751 /nfs/dbraw/zinc/68/47/51/757684751.db2.gz BFVUPJJEWLWQSM-GOEBONIOSA-N 1 1 328.416 0.973 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCC(O)CC3)C2)cc1 ZINC001076939576 757685268 /nfs/dbraw/zinc/68/52/68/757685268.db2.gz LBDQEWFSHHVPMT-OPQOLIRYSA-N 1 1 343.427 0.771 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCC(O)CC3)C2)cc1 ZINC001076939576 757685279 /nfs/dbraw/zinc/68/52/79/757685279.db2.gz LBDQEWFSHHVPMT-OPQOLIRYSA-N 1 1 343.427 0.771 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)C1 ZINC001107210480 757692892 /nfs/dbraw/zinc/69/28/92/757692892.db2.gz KMOOWBLXYGSWOX-NQHOJNORSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)C1 ZINC001107210480 757692895 /nfs/dbraw/zinc/69/28/95/757692895.db2.gz KMOOWBLXYGSWOX-NQHOJNORSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2cc(C)ncc2C#N)C1 ZINC001107211374 757701000 /nfs/dbraw/zinc/70/10/00/757701000.db2.gz VSHDEPFBKKCMRQ-LAQIPUCWSA-N 1 1 343.431 0.489 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2cc(C)ncc2C#N)C1 ZINC001107211374 757701007 /nfs/dbraw/zinc/70/10/07/757701007.db2.gz VSHDEPFBKKCMRQ-LAQIPUCWSA-N 1 1 343.431 0.489 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021623759 757703122 /nfs/dbraw/zinc/70/31/22/757703122.db2.gz PUOIIGWOLZQNOE-CABCVRRESA-N 1 1 346.431 0.838 20 30 ECEDMO C=CCCC1(C(=O)NCc2cn(C3C[NH+](C[C@H](C)O)C3)nn2)CC1 ZINC001107206394 757720490 /nfs/dbraw/zinc/72/04/90/757720490.db2.gz LAVSWHRYCYIXLF-ZDUSSCGKSA-N 1 1 333.436 0.878 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001021653234 757743183 /nfs/dbraw/zinc/74/31/83/757743183.db2.gz VWOVGQFHMSVYHK-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)cc1 ZINC001021660464 757747992 /nfs/dbraw/zinc/74/79/92/757747992.db2.gz AMQAIYWJWYHULG-HOTGVXAUSA-N 1 1 326.400 0.856 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001021682853 757777329 /nfs/dbraw/zinc/77/73/29/757777329.db2.gz UVEBOSRGNSPXIF-DZGCQCFKSA-N 1 1 346.431 0.197 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021690880 757787218 /nfs/dbraw/zinc/78/72/18/757787218.db2.gz LBANWCFABTWLRJ-HIFRSBDPSA-N 1 1 333.432 0.928 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)s1 ZINC001049061103 757837071 /nfs/dbraw/zinc/83/70/71/757837071.db2.gz OYAUVJNYFKHVJO-BVIHXZOGSA-N 1 1 344.440 0.631 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001021711043 757843594 /nfs/dbraw/zinc/84/35/94/757843594.db2.gz RPZOZUVGVJMQIE-KBPBESRZSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)o3)C[C@@H]2C1 ZINC001049068553 757867735 /nfs/dbraw/zinc/86/77/35/757867735.db2.gz XCLJCIKDBADYLZ-BARDWOONSA-N 1 1 332.404 0.859 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@H]2C1 ZINC001049068553 757867742 /nfs/dbraw/zinc/86/77/42/757867742.db2.gz XCLJCIKDBADYLZ-BARDWOONSA-N 1 1 332.404 0.859 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2C1 ZINC001049068667 757868324 /nfs/dbraw/zinc/86/83/24/757868324.db2.gz YPLLZYXCBMUHSJ-ALYAQQCSSA-N 1 1 347.459 0.589 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]2C1 ZINC001049068987 757873436 /nfs/dbraw/zinc/87/34/36/757873436.db2.gz JAFBIDZJNRKCAY-WDTWZTHCSA-N 1 1 347.459 0.635 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021734350 757880226 /nfs/dbraw/zinc/88/02/26/757880226.db2.gz WPVVMYDNGRJUCO-DZGCQCFKSA-N 1 1 344.415 0.436 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001011552257 757980387 /nfs/dbraw/zinc/98/03/87/757980387.db2.gz JCOMEVLNTFWVES-SFHVURJKSA-N 1 1 337.464 0.982 20 30 ECEDMO C=C(C)CN1CC(n2cc(CNC(=O)Cn3cc[nH+]c3C)nn2)C1 ZINC001107235716 758022457 /nfs/dbraw/zinc/02/24/57/758022457.db2.gz JVSKTDZYWJTZPV-UHFFFAOYSA-N 1 1 329.408 0.532 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001077048043 758036646 /nfs/dbraw/zinc/03/66/46/758036646.db2.gz ZUWFEMOFBOOARH-BZUAXINKSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cccnn4)C[C@H]3C2)C1=O ZINC001049126495 758051858 /nfs/dbraw/zinc/05/18/58/758051858.db2.gz AORRSHADAXWEIG-LZWOXQAQSA-N 1 1 341.415 0.267 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001077058699 758055364 /nfs/dbraw/zinc/05/53/64/758055364.db2.gz TVIAYRYLLFMHPD-ZIAGYGMSSA-N 1 1 331.376 0.426 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001077058699 758055372 /nfs/dbraw/zinc/05/53/72/758055372.db2.gz TVIAYRYLLFMHPD-ZIAGYGMSSA-N 1 1 331.376 0.426 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001051653987 762599658 /nfs/dbraw/zinc/59/96/58/762599658.db2.gz FBYHNOMFFBUXFM-AWEZNQCLSA-N 1 1 344.419 0.433 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001077098355 758160326 /nfs/dbraw/zinc/16/03/26/758160326.db2.gz WWSFAPUVBMSHRP-ZIAGYGMSSA-N 1 1 334.420 0.715 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001077103666 758187212 /nfs/dbraw/zinc/18/72/12/758187212.db2.gz ZZUGBAKHJPCUKA-HZPDHXFCSA-N 1 1 332.404 0.781 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccn[nH]3)CCC[C@@H]12 ZINC001107284044 758189606 /nfs/dbraw/zinc/18/96/06/758189606.db2.gz RNMNAICNMAUWFO-CZUORRHYSA-N 1 1 330.392 0.024 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001077108707 758192558 /nfs/dbraw/zinc/19/25/58/758192558.db2.gz PVVLBRLFQKTIEX-KBPBESRZSA-N 1 1 325.453 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]3C2)nc1 ZINC001049177377 758231580 /nfs/dbraw/zinc/23/15/80/758231580.db2.gz AEDSBSDNCSYLOO-AEGPPILISA-N 1 1 326.400 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)C[C@@H]3C2)nc1 ZINC001049177914 758234028 /nfs/dbraw/zinc/23/40/28/758234028.db2.gz UVNUVVSEBXMQQI-GASCZTMLSA-N 1 1 347.440 0.111 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@H]3C2)nc1 ZINC001049177914 758234036 /nfs/dbraw/zinc/23/40/36/758234036.db2.gz UVNUVVSEBXMQQI-GASCZTMLSA-N 1 1 347.440 0.111 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)cn1 ZINC001049178256 758234386 /nfs/dbraw/zinc/23/43/86/758234386.db2.gz BSEDGBJQGDJWKV-UXLLHSPISA-N 1 1 338.411 0.297 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049179690 758239013 /nfs/dbraw/zinc/23/90/13/758239013.db2.gz IDMVRGJSAJXVOG-TUAOUCFPSA-N 1 1 342.237 0.564 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049179690 758239022 /nfs/dbraw/zinc/23/90/22/758239022.db2.gz IDMVRGJSAJXVOG-TUAOUCFPSA-N 1 1 342.237 0.564 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001049180368 758240477 /nfs/dbraw/zinc/24/04/77/758240477.db2.gz FCQAFNCCOVNZCG-KBXIAJHMSA-N 1 1 337.464 0.569 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCOC3)CCC[C@@H]12 ZINC001107318849 758258895 /nfs/dbraw/zinc/25/88/95/758258895.db2.gz BCHUMSVQWNNLII-GPMSIDNRSA-N 1 1 347.459 0.523 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[C@H](C)OC ZINC001077124384 758284133 /nfs/dbraw/zinc/28/41/33/758284133.db2.gz USQGJPKRITZBJV-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[C@H](C)OC ZINC001077124384 758284143 /nfs/dbraw/zinc/28/41/43/758284143.db2.gz USQGJPKRITZBJV-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ccnn1C ZINC001077124559 758284946 /nfs/dbraw/zinc/28/49/46/758284946.db2.gz XTPKSYNILLEIPI-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ccnn1C ZINC001077124559 758284958 /nfs/dbraw/zinc/28/49/58/758284958.db2.gz XTPKSYNILLEIPI-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cncnc1C ZINC001077124581 758285601 /nfs/dbraw/zinc/28/56/01/758285601.db2.gz ZAFHTXHQVJBDOD-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cncnc1C ZINC001077124581 758285612 /nfs/dbraw/zinc/28/56/12/758285612.db2.gz ZAFHTXHQVJBDOD-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1csnn1 ZINC001077124948 758288487 /nfs/dbraw/zinc/28/84/87/758288487.db2.gz KCJBUYHOPRPHOD-AAEUAGOBSA-N 1 1 335.433 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1csnn1 ZINC001077124948 758288498 /nfs/dbraw/zinc/28/84/98/758288498.db2.gz KCJBUYHOPRPHOD-AAEUAGOBSA-N 1 1 335.433 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](CCC)OC ZINC001077125094 758289243 /nfs/dbraw/zinc/28/92/43/758289243.db2.gz MQUBOBQVMPRBQA-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](CCC)OC ZINC001077125094 758289253 /nfs/dbraw/zinc/28/92/53/758289253.db2.gz MQUBOBQVMPRBQA-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001077134689 758306660 /nfs/dbraw/zinc/30/66/60/758306660.db2.gz UHNSVMLWXKLJSA-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2ncc(C)o2)C1 ZINC001051660154 762617921 /nfs/dbraw/zinc/61/79/21/762617921.db2.gz MQHIZMXKJBZIBJ-CVEARBPZSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2ncc(C)o2)C1 ZINC001051660154 762617924 /nfs/dbraw/zinc/61/79/24/762617924.db2.gz MQHIZMXKJBZIBJ-CVEARBPZSA-N 1 1 346.431 0.398 20 30 ECEDMO Cc1ncoc1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107347331 758361143 /nfs/dbraw/zinc/36/11/43/758361143.db2.gz IYTAYIRLLFGCPW-CXAGYDPISA-N 1 1 345.403 0.597 20 30 ECEDMO N#Cc1nccc(NC/C=C\CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)n1 ZINC001107348792 758364264 /nfs/dbraw/zinc/36/42/64/758364264.db2.gz MBDWQQKNFMEJCD-OKYAQOQYSA-N 1 1 340.431 0.729 20 30 ECEDMO N#Cc1nccc(NC/C=C/CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)n1 ZINC001107348793 758364278 /nfs/dbraw/zinc/36/42/78/758364278.db2.gz MBDWQQKNFMEJCD-SWVJOTTGSA-N 1 1 340.431 0.729 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001077169124 758406690 /nfs/dbraw/zinc/40/66/90/758406690.db2.gz PDENTNYEVUAYNM-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001077169124 758406695 /nfs/dbraw/zinc/40/66/95/758406695.db2.gz PDENTNYEVUAYNM-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](O)C(C)C)CCC[C@@H]12 ZINC001107390382 758417583 /nfs/dbraw/zinc/41/75/83/758417583.db2.gz ISJCZNYKLCNYPK-QGPMSJSTSA-N 1 1 335.448 0.114 20 30 ECEDMO CO[C@H](C)C[NH+]1CC(OC2CCN(C(=O)CSCC#N)CC2)C1 ZINC001105690828 758433604 /nfs/dbraw/zinc/43/36/04/758433604.db2.gz AIXDXADDSYGFHR-CYBMUJFWSA-N 1 1 341.477 0.970 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001022220473 758439550 /nfs/dbraw/zinc/43/95/50/758439550.db2.gz FWTNSGNCODUHHT-ZNMIVQPWSA-N 1 1 345.451 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2nnc(C)o2)C1 ZINC001022221214 758442538 /nfs/dbraw/zinc/44/25/38/758442538.db2.gz AKZHGWJMRIKQTN-MHEUCROKSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2nnc(C)o2)C1 ZINC001022221214 758442542 /nfs/dbraw/zinc/44/25/42/758442542.db2.gz AKZHGWJMRIKQTN-MHEUCROKSA-N 1 1 331.420 0.773 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1O ZINC001049275451 758465851 /nfs/dbraw/zinc/46/58/51/758465851.db2.gz KLADLNDEYCZLHI-PMPSAXMXSA-N 1 1 339.480 0.961 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(=O)COC)CCC[C@@H]12 ZINC001107426472 758536914 /nfs/dbraw/zinc/53/69/14/758536914.db2.gz PZHOCIOLCDZBKF-CRAIPNDOSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(Br)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779962 758631041 /nfs/dbraw/zinc/63/10/41/758631041.db2.gz UNLHECWMPXMEDL-VXGBXAGGSA-N 1 1 332.242 0.464 20 30 ECEDMO C=C(Br)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779962 758631047 /nfs/dbraw/zinc/63/10/47/758631047.db2.gz UNLHECWMPXMEDL-VXGBXAGGSA-N 1 1 332.242 0.464 20 30 ECEDMO C=C(Br)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779961 758631182 /nfs/dbraw/zinc/63/11/82/758631182.db2.gz UNLHECWMPXMEDL-RYUDHWBXSA-N 1 1 332.242 0.464 20 30 ECEDMO C=C(Br)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779961 758631191 /nfs/dbraw/zinc/63/11/91/758631191.db2.gz UNLHECWMPXMEDL-RYUDHWBXSA-N 1 1 332.242 0.464 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(C#N)c1 ZINC001049425039 758668455 /nfs/dbraw/zinc/66/84/55/758668455.db2.gz KDCAWRZETJFALH-LSDHHAIUSA-N 1 1 329.404 0.653 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(C)sc3n2)C1 ZINC001077299520 758742331 /nfs/dbraw/zinc/74/23/31/758742331.db2.gz FMYAMCUHDYPRJX-ZIAGYGMSSA-N 1 1 334.445 0.984 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3csnn3)CCC[C@@H]12 ZINC001107488678 758756188 /nfs/dbraw/zinc/75/61/88/758756188.db2.gz SJVBVRQKEZOJCB-CZUORRHYSA-N 1 1 349.460 0.815 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001049474932 758778898 /nfs/dbraw/zinc/77/88/98/758778898.db2.gz RUWAGICRZGKXLT-CABCVRRESA-N 1 1 345.443 0.860 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001049505726 758819536 /nfs/dbraw/zinc/81/95/36/758819536.db2.gz RTONKYAIEQUKDK-IXDOHACOSA-N 1 1 347.459 0.570 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049507209 758823542 /nfs/dbraw/zinc/82/35/42/758823542.db2.gz DVDGFGOLZNUHIV-LSDHHAIUSA-N 1 1 339.461 0.111 20 30 ECEDMO C=C(Br)CN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573702 758864490 /nfs/dbraw/zinc/86/44/90/758864490.db2.gz RUVGNIFXNSNBOQ-UPJWGTAASA-N 1 1 346.269 0.541 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1cnon1 ZINC001049529804 758867388 /nfs/dbraw/zinc/86/73/88/758867388.db2.gz SAINZVCTBPRXJM-IKGGRYGDSA-N 1 1 343.431 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1cnon1 ZINC001049529804 758867399 /nfs/dbraw/zinc/86/73/99/758867399.db2.gz SAINZVCTBPRXJM-IKGGRYGDSA-N 1 1 343.431 0.733 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)ccc1F ZINC001014428917 762665637 /nfs/dbraw/zinc/66/56/37/762665637.db2.gz MZILNUHJYAAPMA-ZDUSSCGKSA-N 1 1 329.339 0.075 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)ccc1F ZINC001014428917 762665642 /nfs/dbraw/zinc/66/56/42/762665642.db2.gz MZILNUHJYAAPMA-ZDUSSCGKSA-N 1 1 329.339 0.075 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001049542350 758897585 /nfs/dbraw/zinc/89/75/85/758897585.db2.gz JGKBVSCBIRYCPA-KBPBESRZSA-N 1 1 325.453 0.571 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001049557287 758919262 /nfs/dbraw/zinc/91/92/62/758919262.db2.gz FUCZTZVOOMOGEF-QWHCGFSZSA-N 1 1 337.401 0.239 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001049558862 758920148 /nfs/dbraw/zinc/92/01/48/758920148.db2.gz SVURHTQMJCBDEO-OLZOCXBDSA-N 1 1 339.417 0.792 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001049559650 758921312 /nfs/dbraw/zinc/92/13/12/758921312.db2.gz JYPCJLSVGPIPRL-ULQDDVLXSA-N 1 1 349.475 0.552 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C(N)=O)cn1C ZINC001049577531 758951638 /nfs/dbraw/zinc/95/16/38/758951638.db2.gz QYCHZQUYBVGWMJ-HUUCEWRRSA-N 1 1 328.416 0.826 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCN1C(=O)CCC1=O ZINC001049578931 758955889 /nfs/dbraw/zinc/95/58/89/758955889.db2.gz CDIBWAHMYGWBPB-GJZGRUSLSA-N 1 1 331.416 0.614 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049579595 758956593 /nfs/dbraw/zinc/95/65/93/758956593.db2.gz LYFJVDPQKGMJMV-KGLIPLIRSA-N 1 1 330.388 0.038 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001049579631 758957218 /nfs/dbraw/zinc/95/72/18/758957218.db2.gz HRAIYQXRFANECG-JKSUJKDBSA-N 1 1 346.431 0.755 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCCCS1(=O)=O ZINC001049594636 758972661 /nfs/dbraw/zinc/97/26/61/758972661.db2.gz LLQPMHOXMJQSPM-CABCVRRESA-N 1 1 341.477 0.663 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)CC[NH+]2CCOCC2)CCC1 ZINC001077394244 758982151 /nfs/dbraw/zinc/98/21/51/758982151.db2.gz IVTPJRXYSQSAAR-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O ZINC001077394868 758984822 /nfs/dbraw/zinc/98/48/22/758984822.db2.gz HSNSPEMIUYAJRL-HUUCEWRRSA-N 1 1 345.428 0.486 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001077395890 758988761 /nfs/dbraw/zinc/98/87/61/758988761.db2.gz YQKSPUIKYPRJRE-LSDHHAIUSA-N 1 1 341.452 0.311 20 30 ECEDMO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001049611311 758992189 /nfs/dbraw/zinc/99/21/89/758992189.db2.gz OMSKXWQVTXUGDP-FNYPPERVSA-N 1 1 329.444 0.548 20 30 ECEDMO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049611311 758992193 /nfs/dbraw/zinc/99/21/93/758992193.db2.gz OMSKXWQVTXUGDP-FNYPPERVSA-N 1 1 329.444 0.548 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(Br)c2)C1 ZINC001077403137 759011319 /nfs/dbraw/zinc/01/13/19/759011319.db2.gz VOIMCMNPYVNCHN-GHMZBOCLSA-N 1 1 326.194 0.575 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(Br)c2)C1 ZINC001077403137 759011328 /nfs/dbraw/zinc/01/13/28/759011328.db2.gz VOIMCMNPYVNCHN-GHMZBOCLSA-N 1 1 326.194 0.575 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001077407298 759017451 /nfs/dbraw/zinc/01/74/51/759017451.db2.gz OKRLHYUOEPKAEL-ZIAGYGMSSA-N 1 1 330.392 0.104 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001077415127 759032353 /nfs/dbraw/zinc/03/23/53/759032353.db2.gz LIUWYCFMDNVNQI-ZYHUDNBSSA-N 1 1 333.417 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001077421130 759041990 /nfs/dbraw/zinc/04/19/90/759041990.db2.gz LTOFPGUBWRNLQL-NSHDSACASA-N 1 1 328.376 0.716 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001049680702 759082389 /nfs/dbraw/zinc/08/23/89/759082389.db2.gz RAONJRGSXDDJPZ-NUEKZKHPSA-N 1 1 327.432 0.619 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001049719541 759127621 /nfs/dbraw/zinc/12/76/21/759127621.db2.gz MRJZBSPRFGAMSI-CABCVRRESA-N 1 1 342.443 0.835 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001049740189 759154509 /nfs/dbraw/zinc/15/45/09/759154509.db2.gz UEOQKVXAHJXFEL-RBSFLKMASA-N 1 1 328.420 0.324 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)S(C)(=O)=O ZINC001049767413 759180735 /nfs/dbraw/zinc/18/07/35/759180735.db2.gz GCEZBVJBXPHBPA-KGLIPLIRSA-N 1 1 326.462 0.898 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)S(C)(=O)=O ZINC001049767413 759180738 /nfs/dbraw/zinc/18/07/38/759180738.db2.gz GCEZBVJBXPHBPA-KGLIPLIRSA-N 1 1 326.462 0.898 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(N)=O)cc1 ZINC001049770082 759184059 /nfs/dbraw/zinc/18/40/59/759184059.db2.gz NZFGFGGQRCCVGH-SJORKVTESA-N 1 1 341.411 0.863 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(N)=O)cc1 ZINC001049770082 759184064 /nfs/dbraw/zinc/18/40/64/759184064.db2.gz NZFGFGGQRCCVGH-SJORKVTESA-N 1 1 341.411 0.863 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(N)=O)cc1 ZINC001049770079 759184385 /nfs/dbraw/zinc/18/43/85/759184385.db2.gz NZFGFGGQRCCVGH-DLBZAZTESA-N 1 1 341.411 0.863 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)cc1 ZINC001049770079 759184389 /nfs/dbraw/zinc/18/43/89/759184389.db2.gz NZFGFGGQRCCVGH-DLBZAZTESA-N 1 1 341.411 0.863 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049779172 759194771 /nfs/dbraw/zinc/19/47/71/759194771.db2.gz SJIZEQCMQBXKIF-UDRCLVEDSA-N 1 1 332.404 0.226 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2ccnc2)nn1 ZINC001049783386 759200243 /nfs/dbraw/zinc/20/02/43/759200243.db2.gz OYNQEMFXQUTTFO-JKSUJKDBSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001049785576 759203767 /nfs/dbraw/zinc/20/37/67/759203767.db2.gz ZKENLSDOCPSHGI-KGLIPLIRSA-N 1 1 325.372 0.747 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3ccncc3C)C2)C1=O ZINC001014443365 762697530 /nfs/dbraw/zinc/69/75/30/762697530.db2.gz MRHWOTLJYFCOGN-SJORKVTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3ccncc3C)C2)C1=O ZINC001014443365 762697536 /nfs/dbraw/zinc/69/75/36/762697536.db2.gz MRHWOTLJYFCOGN-SJORKVTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049827592 759262488 /nfs/dbraw/zinc/26/24/88/759262488.db2.gz XACKELGMCPDHBQ-KGLIPLIRSA-N 1 1 348.447 0.958 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001049836050 759271923 /nfs/dbraw/zinc/27/19/23/759271923.db2.gz UMZJKWQDWMCWDH-HUUCEWRRSA-N 1 1 343.431 0.080 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049842741 759288300 /nfs/dbraw/zinc/28/83/00/759288300.db2.gz XUQSEVLNOVRCTM-QWRGUYRKSA-N 1 1 334.376 0.761 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(NC(C)=O)cc2)[C@@H](O)C1 ZINC001083612965 759299729 /nfs/dbraw/zinc/29/97/29/759299729.db2.gz VKKBIPRHNMLIAS-SJORKVTESA-N 1 1 329.400 0.372 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049871376 759325557 /nfs/dbraw/zinc/32/55/57/759325557.db2.gz LCCDJSKOKAWJJW-STQMWFEESA-N 1 1 334.420 0.568 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049873383 759327529 /nfs/dbraw/zinc/32/75/29/759327529.db2.gz WWKVHYMIPRYESL-KGLIPLIRSA-N 1 1 346.431 0.405 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049873385 759328013 /nfs/dbraw/zinc/32/80/13/759328013.db2.gz WWKVHYMIPRYESL-UONOGXRCSA-N 1 1 346.431 0.405 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCN(C(N)=O)CC1 ZINC001049883115 759343037 /nfs/dbraw/zinc/34/30/37/759343037.db2.gz HFPNMYARIMEOTB-CVEARBPZSA-N 1 1 332.448 0.866 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O ZINC001049886752 759351114 /nfs/dbraw/zinc/35/11/14/759351114.db2.gz UHSSPXKBZKJARX-CABCVRRESA-N 1 1 348.447 0.912 20 30 ECEDMO Cc1ccc(C#N)c(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001125000438 759367892 /nfs/dbraw/zinc/36/78/92/759367892.db2.gz KLIDSSAURRYJPR-HZPDHXFCSA-N 1 1 345.447 0.611 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1-n1cnnn1 ZINC001049896073 759370191 /nfs/dbraw/zinc/37/01/91/759370191.db2.gz WXKKYVJPTZXGNB-IAGOWNOFSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(=O)n(CCC)n1 ZINC001049896551 759371393 /nfs/dbraw/zinc/37/13/93/759371393.db2.gz ZKPCEKQWODDHOH-HZPDHXFCSA-N 1 1 328.416 0.965 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 ZINC001049918444 759401030 /nfs/dbraw/zinc/40/10/30/759401030.db2.gz LDJHWOSKJFBZLS-KBPBESRZSA-N 1 1 332.408 0.018 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 ZINC001049918409 759401645 /nfs/dbraw/zinc/40/16/45/759401645.db2.gz KXJGNJMDVZBFON-KBPBESRZSA-N 1 1 332.408 0.018 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3C[C@@H](C)O)CC1 ZINC001049918805 759402234 /nfs/dbraw/zinc/40/22/34/759402234.db2.gz MOTHSKUHJIXKCI-NXHRZFHOSA-N 1 1 333.476 0.778 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H](C)O)CC1 ZINC001049918805 759402237 /nfs/dbraw/zinc/40/22/37/759402237.db2.gz MOTHSKUHJIXKCI-NXHRZFHOSA-N 1 1 333.476 0.778 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3c[nH]c(C(N)=O)c3)C2)cc1 ZINC001032187769 759405576 /nfs/dbraw/zinc/40/55/76/759405576.db2.gz DTMMDCBMCHTORD-UHFFFAOYSA-N 1 1 337.383 0.847 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C(N)=O)cn1 ZINC001049924227 759410139 /nfs/dbraw/zinc/41/01/39/759410139.db2.gz CHJBWCWWNRRNKW-HZPDHXFCSA-N 1 1 326.400 0.883 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(CC(N)=O)nn1)C2 ZINC001054244595 767861845 /nfs/dbraw/zinc/86/18/45/767861845.db2.gz HQEHKDICAWAPFX-QGZVFWFLSA-N 1 1 346.435 0.268 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C(N)=O)n1)C2 ZINC001054246611 767863476 /nfs/dbraw/zinc/86/34/76/767863476.db2.gz FCUKASIHDREULC-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001054250066 767869364 /nfs/dbraw/zinc/86/93/64/767869364.db2.gz KNYJLTAAGRNREG-KDOFPFPSSA-N 1 1 333.432 0.930 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)c[nH]1 ZINC001050025605 759565100 /nfs/dbraw/zinc/56/51/00/759565100.db2.gz APXWOIAHQACTTK-BLLLJJGKSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)c[nH]1 ZINC001050025605 759565106 /nfs/dbraw/zinc/56/51/06/759565106.db2.gz APXWOIAHQACTTK-BLLLJJGKSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)c[nH]1 ZINC001050026342 759568184 /nfs/dbraw/zinc/56/81/84/759568184.db2.gz ZXHLAVIWVPQYAE-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)C1=O ZINC001050045257 759610145 /nfs/dbraw/zinc/61/01/45/759610145.db2.gz ZFCGJVBJRBLUNR-GVDBMIGSSA-N 1 1 329.444 0.943 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)CC2 ZINC001012265815 759611987 /nfs/dbraw/zinc/61/19/87/759611987.db2.gz ZXFCURUPNBUMHO-TZMCWYRMSA-N 1 1 329.404 0.584 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089732 759684653 /nfs/dbraw/zinc/68/46/53/759684653.db2.gz SLWTYNDKDCIUDX-OWCLPIDISA-N 1 1 338.473 0.757 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCCCS3(=O)=O)[C@@H]2C1 ZINC001050095664 759692179 /nfs/dbraw/zinc/69/21/79/759692179.db2.gz XSLKWELQYCUUFS-LSDHHAIUSA-N 1 1 341.477 0.521 20 30 ECEDMO Cc1ccc(C#N)c(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001125110276 759699058 /nfs/dbraw/zinc/69/90/58/759699058.db2.gz DQKIXOSCHBHARL-JKSUJKDBSA-N 1 1 345.447 0.469 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccncc1C#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125110442 759700337 /nfs/dbraw/zinc/70/03/37/759700337.db2.gz GRVCFNNPAFDSGG-ZFWWWQNUSA-N 1 1 331.420 0.160 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CCOCC)nn2)C1 ZINC001098672160 759705768 /nfs/dbraw/zinc/70/57/68/759705768.db2.gz BDUKQSBJVPSZFL-ZBFHGGJFSA-N 1 1 349.435 0.216 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CN(C(=O)c3cc(C)[nH]n3)CC2(C)C)C1=O ZINC000995527018 759707587 /nfs/dbraw/zinc/70/75/87/759707587.db2.gz DJPUFHBMSFHCQH-ZFWWWQNUSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CN(C(=O)c3cnc(C)[nH]3)CC2(C)C)C1=O ZINC000995547377 759762608 /nfs/dbraw/zinc/76/26/08/759762608.db2.gz JQMJHTRNCUQCPH-ZFWWWQNUSA-N 1 1 345.447 0.945 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](C)COC)nn2)C1 ZINC001098672434 759837053 /nfs/dbraw/zinc/83/70/53/759837053.db2.gz FJNWOKRBNWOCLF-GOEBONIOSA-N 1 1 349.435 0.216 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1 ZINC001050173818 759862731 /nfs/dbraw/zinc/86/27/31/759862731.db2.gz UKKBLSSCVZPTDL-JKSUJKDBSA-N 1 1 330.432 0.969 20 30 ECEDMO CCc1nc(C#N)cc(NC/C=C/CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001107093574 759897112 /nfs/dbraw/zinc/89/71/12/759897112.db2.gz ITBDRWISJJXYAR-ISZGNANSSA-N 1 1 344.419 0.326 20 30 ECEDMO CCc1nc(C#N)cc(NC/C=C/CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001107093574 759897124 /nfs/dbraw/zinc/89/71/24/759897124.db2.gz ITBDRWISJJXYAR-ISZGNANSSA-N 1 1 344.419 0.326 20 30 ECEDMO Cc1ccc(C#N)c(NC/C=C\CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001107094075 759899384 /nfs/dbraw/zinc/89/93/84/759899384.db2.gz SLLZKSUELXZPQL-JZIMQPMSSA-N 1 1 329.404 0.677 20 30 ECEDMO Cc1ccc(C#N)c(NC/C=C\CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001107094075 759899390 /nfs/dbraw/zinc/89/93/90/759899390.db2.gz SLLZKSUELXZPQL-JZIMQPMSSA-N 1 1 329.404 0.677 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)CN3CCOCC3)[C@@H]2C1 ZINC001050202072 759929286 /nfs/dbraw/zinc/92/92/86/759929286.db2.gz ISUCNBFQJUYRFY-FGTMMUONSA-N 1 1 333.476 0.901 20 30 ECEDMO Cn1cnnc1C[NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC000995647557 759930693 /nfs/dbraw/zinc/93/06/93/759930693.db2.gz GHBDVWNJQDQOMX-ZDUSSCGKSA-N 1 1 327.392 0.655 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001012445869 760013637 /nfs/dbraw/zinc/01/36/37/760013637.db2.gz KVHJAABWIQLEOY-FZMZJTMJSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC001127031952 760035393 /nfs/dbraw/zinc/03/53/93/760035393.db2.gz MFOFJABRRJAABV-UHFFFAOYSA-N 1 1 332.326 0.691 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C ZINC000945316305 760068819 /nfs/dbraw/zinc/06/88/19/760068819.db2.gz JLZYBOWNTCOPHZ-CZUORRHYSA-N 1 1 328.416 0.958 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C ZINC000945316304 760068967 /nfs/dbraw/zinc/06/89/67/760068967.db2.gz JLZYBOWNTCOPHZ-CJNGLKHVSA-N 1 1 328.416 0.958 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001017391380 767923082 /nfs/dbraw/zinc/92/30/82/767923082.db2.gz MNFNDVQPASUBBB-CQSZACIVSA-N 1 1 341.415 0.727 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)[C@@H](O)C1 ZINC001083641392 760184534 /nfs/dbraw/zinc/18/45/34/760184534.db2.gz KODNNWBOQNHMKU-IMJJTQAJSA-N 1 1 332.375 0.561 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)[C@@H](O)C1 ZINC001083641392 760184540 /nfs/dbraw/zinc/18/45/40/760184540.db2.gz KODNNWBOQNHMKU-IMJJTQAJSA-N 1 1 332.375 0.561 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001083647162 760430107 /nfs/dbraw/zinc/43/01/07/760430107.db2.gz OIGGJPIGBFYKPJ-HIFRSBDPSA-N 1 1 338.839 0.676 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc2ccsc2c(=O)[nH]1 ZINC001127045848 760448954 /nfs/dbraw/zinc/44/89/54/760448954.db2.gz ITEUHJUECKHHNK-SNVBAGLBSA-N 1 1 334.401 0.641 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnnn1C1CCCCC1 ZINC001127046283 760456566 /nfs/dbraw/zinc/45/65/66/760456566.db2.gz PBATZMFRGOMRFH-UONOGXRCSA-N 1 1 348.451 0.983 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)n3cccn3)nn2)C1 ZINC001107135205 760613590 /nfs/dbraw/zinc/61/35/90/760613590.db2.gz PPVNNLXFAXVWHD-CYBMUJFWSA-N 1 1 329.408 0.785 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066465 760693588 /nfs/dbraw/zinc/69/35/88/760693588.db2.gz PGNXKNQOABFSQX-HNNXBMFYSA-N 1 1 337.468 0.327 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](C)O)nn1 ZINC001048572940 760735340 /nfs/dbraw/zinc/73/53/40/760735340.db2.gz UQAQVFXCAUCBJS-APIJFGDWSA-N 1 1 333.436 0.818 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001050734473 760753210 /nfs/dbraw/zinc/75/32/10/760753210.db2.gz AQTKXOZHKJDTCX-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001048588440 760761067 /nfs/dbraw/zinc/76/10/67/760761067.db2.gz BCDKHVPMMWFEJR-FZKCQIBNSA-N 1 1 338.473 0.946 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cnccn4)C[C@H]3C2)C1=O ZINC001048652948 760858672 /nfs/dbraw/zinc/85/86/72/760858672.db2.gz XFBMQQHCLOSYNE-LZWOXQAQSA-N 1 1 341.415 0.267 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2nccs2)[C@@H](O)C1 ZINC001083669174 760859185 /nfs/dbraw/zinc/85/91/85/760859185.db2.gz WORCFSGSUOFYOT-MCIONIFRSA-N 1 1 336.461 0.849 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCCO4)C[C@H]3C2)C1=O ZINC001048666966 760900506 /nfs/dbraw/zinc/90/05/06/760900506.db2.gz SLFHLMVKYAOCCE-XUWVNRHRSA-N 1 1 333.432 0.343 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CCCC)[C@@H](O)C1 ZINC001083670704 760913158 /nfs/dbraw/zinc/91/31/58/760913158.db2.gz KTHPXXJYDPWLGK-PMPSAXMXSA-N 1 1 325.453 0.225 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cncc(-n3ccnn3)c2)[C@@H](O)C1 ZINC001083671162 760919365 /nfs/dbraw/zinc/91/93/65/760919365.db2.gz DAZOEJNPJWPYEP-CVEARBPZSA-N 1 1 342.403 0.403 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001048712253 760998533 /nfs/dbraw/zinc/99/85/33/760998533.db2.gz OYGZHUBJKIIUSA-HOTGVXAUSA-N 1 1 337.464 0.552 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048764135 761135599 /nfs/dbraw/zinc/13/55/99/761135599.db2.gz NZCANPJWUWMADY-UPJWGTAASA-N 1 1 341.415 0.557 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNc2ccnc(C#N)n2)[C@H](C)C1 ZINC001054492655 768015608 /nfs/dbraw/zinc/01/56/08/768015608.db2.gz KJZXWIDPQFXKDV-TZMCWYRMSA-N 1 1 339.403 0.482 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001077448645 761217128 /nfs/dbraw/zinc/21/71/28/761217128.db2.gz AOYJUIBUCXQWKK-GVDBMIGSSA-N 1 1 328.412 0.964 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001077448645 761217132 /nfs/dbraw/zinc/21/71/32/761217132.db2.gz AOYJUIBUCXQWKK-GVDBMIGSSA-N 1 1 328.412 0.964 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001013263322 761243955 /nfs/dbraw/zinc/24/39/55/761243955.db2.gz RZDYGQIAUMDDOW-XHDPSFHLSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)[C@H](C)OC)C[C@@]2(C)C1 ZINC000993071022 768018263 /nfs/dbraw/zinc/01/82/63/768018263.db2.gz TWLBTDSHLUHCET-RCJHGTSTSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)[C@H](C)OC)C[C@@]2(C)C1 ZINC000993071022 768018267 /nfs/dbraw/zinc/01/82/67/768018267.db2.gz TWLBTDSHLUHCET-RCJHGTSTSA-N 1 1 347.459 0.426 20 30 ECEDMO C=CCCOCC(=O)N1CCC(OC2C[NH+](CCCO)C2)CC1 ZINC001105735889 761419358 /nfs/dbraw/zinc/41/93/58/761419358.db2.gz CXSANRPICZACIL-UHFFFAOYSA-N 1 1 326.437 0.653 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001054547955 768038138 /nfs/dbraw/zinc/03/81/38/768038138.db2.gz NQEYCUHJGTZIAY-BXUZGUMPSA-N 1 1 345.382 0.698 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)n1C ZINC001054569930 768045138 /nfs/dbraw/zinc/04/51/38/768045138.db2.gz HVQFKEACXQUPSM-SMDDNHRTSA-N 1 1 341.419 0.828 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1snc(Cl)c1C#N ZINC001105754480 761531173 /nfs/dbraw/zinc/53/11/73/761531173.db2.gz GDANDSRLKMXUKH-WCBMZHEXSA-N 1 1 343.840 0.651 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)[C@@H]2C)CC[N@H+]1C ZINC001051146305 761560139 /nfs/dbraw/zinc/56/01/39/761560139.db2.gz ZXTXVGKWOLWXNM-GBOPCIDUSA-N 1 1 328.420 0.772 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H]2CCOC2)cn1 ZINC001051217418 761709548 /nfs/dbraw/zinc/70/95/48/761709548.db2.gz RXBCBIMXGIIRQF-WMLDXEAASA-N 1 1 329.400 0.530 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H]2CCOC2)cn1 ZINC001051217418 761709554 /nfs/dbraw/zinc/70/95/54/761709554.db2.gz RXBCBIMXGIIRQF-WMLDXEAASA-N 1 1 329.400 0.530 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)c2ccc(C#N)[nH]2)c(C)c(C)[nH+]1 ZINC001105788095 761794714 /nfs/dbraw/zinc/79/47/14/761794714.db2.gz FMUMVKVRXOGLPL-ZDUSSCGKSA-N 1 1 328.376 0.804 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H](C)CCNc1cc(CC)[nH+]c(C)n1 ZINC001106284961 768068466 /nfs/dbraw/zinc/06/84/66/768068466.db2.gz KEIGJJOQTGBYMA-LBPRGKRZSA-N 1 1 331.420 0.794 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001060288540 761825198 /nfs/dbraw/zinc/82/51/98/761825198.db2.gz AXNMLZIDXQKSBG-GJZGRUSLSA-N 1 1 336.436 0.223 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)c3cn(C)c(=O)cn3)cccc2C1 ZINC001051293341 761840119 /nfs/dbraw/zinc/84/01/19/761840119.db2.gz NRFJKIWBDRPLAH-UHFFFAOYSA-N 1 1 336.395 0.702 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001051701666 762733564 /nfs/dbraw/zinc/73/35/64/762733564.db2.gz UBOYYRKNHSXMML-GJZGRUSLSA-N 1 1 340.387 0.214 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)nn1 ZINC001098676893 762839682 /nfs/dbraw/zinc/83/96/82/762839682.db2.gz ZLPCVNLFVDIYIH-LXZKKBNFSA-N 1 1 331.420 0.754 20 30 ECEDMO Cc1nc(NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001106295035 768092459 /nfs/dbraw/zinc/09/24/59/768092459.db2.gz WVRIIMNQSVCBBE-SWLSCSKDSA-N 1 1 331.420 0.899 20 30 ECEDMO Cc1nc(NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001106295035 768092467 /nfs/dbraw/zinc/09/24/67/768092467.db2.gz WVRIIMNQSVCBBE-SWLSCSKDSA-N 1 1 331.420 0.899 20 30 ECEDMO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1C[N@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001017542146 768097437 /nfs/dbraw/zinc/09/74/37/768097437.db2.gz VPGXPIOKVJSUHG-YESZJQIVSA-N 1 1 329.444 0.991 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@@H](C[NH2+]Cc3cn(C)nn3)C2)CC1 ZINC001051804023 763003112 /nfs/dbraw/zinc/00/31/12/763003112.db2.gz VADUIEMVSDBFPX-INIZCTEOSA-N 1 1 333.436 0.879 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(CC)n2)C1 ZINC001051834013 763075813 /nfs/dbraw/zinc/07/58/13/763075813.db2.gz DECDKBRVTQOLPC-XHSDSOJGSA-N 1 1 349.435 0.206 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001105966941 763091567 /nfs/dbraw/zinc/09/15/67/763091567.db2.gz RVEHRGBQKQPGBU-GJZGRUSLSA-N 1 1 349.435 0.453 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001046772928 763098591 /nfs/dbraw/zinc/09/85/91/763098591.db2.gz CNQKIVXMPJLEJA-CRAIPNDOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001046772928 763098594 /nfs/dbraw/zinc/09/85/94/763098594.db2.gz CNQKIVXMPJLEJA-CRAIPNDOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=C(Cl)CN1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031858605 763099351 /nfs/dbraw/zinc/09/93/51/763099351.db2.gz CYFQPBADBPHDHI-CXOJTPOUSA-N 1 1 325.840 0.650 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC001046779053 763114162 /nfs/dbraw/zinc/11/41/62/763114162.db2.gz OJRCXDJYWQOCNS-YJBOKZPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC001046779053 763114165 /nfs/dbraw/zinc/11/41/65/763114165.db2.gz OJRCXDJYWQOCNS-YJBOKZPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)nc1 ZINC001046784092 763121490 /nfs/dbraw/zinc/12/14/90/763121490.db2.gz WXVIXTSYHRYTKL-CRAIPNDOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)nc1 ZINC001046784092 763121494 /nfs/dbraw/zinc/12/14/94/763121494.db2.gz WXVIXTSYHRYTKL-CRAIPNDOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cn(C(C)C)nn2)C1 ZINC001014768544 763123319 /nfs/dbraw/zinc/12/33/19/763123319.db2.gz DGNWZHYUMLMROW-RDJZCZTQSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cn(C(C)C)nn2)C1 ZINC001014768544 763123327 /nfs/dbraw/zinc/12/33/27/763123327.db2.gz DGNWZHYUMLMROW-RDJZCZTQSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2c(C)nnn2CC)C1 ZINC001014768991 763124493 /nfs/dbraw/zinc/12/44/93/763124493.db2.gz HREKZRTYJBOJNQ-HOTGVXAUSA-N 1 1 344.463 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2c(C)nnn2CC)C1 ZINC001014768991 763124501 /nfs/dbraw/zinc/12/45/01/763124501.db2.gz HREKZRTYJBOJNQ-HOTGVXAUSA-N 1 1 344.463 0.395 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2c(C)nnn2CC)C1 ZINC001014768989 763124938 /nfs/dbraw/zinc/12/49/38/763124938.db2.gz HREKZRTYJBOJNQ-CVEARBPZSA-N 1 1 344.463 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2c(C)nnn2CC)C1 ZINC001014768989 763124941 /nfs/dbraw/zinc/12/49/41/763124941.db2.gz HREKZRTYJBOJNQ-CVEARBPZSA-N 1 1 344.463 0.395 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001105973149 763138836 /nfs/dbraw/zinc/13/88/36/763138836.db2.gz VBVLYXUTDPDUQX-ZBFHGGJFSA-N 1 1 331.420 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2noc(C3CC3)n2)C1 ZINC001014779860 763140629 /nfs/dbraw/zinc/14/06/29/763140629.db2.gz OPXGOIWPSIXAHJ-CABCVRRESA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2noc(C3CC3)n2)C1 ZINC001014779860 763140632 /nfs/dbraw/zinc/14/06/32/763140632.db2.gz OPXGOIWPSIXAHJ-CABCVRRESA-N 1 1 343.431 0.735 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046829720 763188238 /nfs/dbraw/zinc/18/82/38/763188238.db2.gz MOQKOBYWOXEROI-CQSZACIVSA-N 1 1 326.784 0.433 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046829720 763188244 /nfs/dbraw/zinc/18/82/44/763188244.db2.gz MOQKOBYWOXEROI-CQSZACIVSA-N 1 1 326.784 0.433 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001105982138 763208938 /nfs/dbraw/zinc/20/89/38/763208938.db2.gz KASVFXYGNQQCCL-HUUCEWRRSA-N 1 1 346.435 0.500 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NCC2=CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001127669484 763209028 /nfs/dbraw/zinc/20/90/28/763209028.db2.gz CJVJPXKHJYAOEK-OAHLLOKOSA-N 1 1 340.431 0.943 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001014819415 763233312 /nfs/dbraw/zinc/23/33/12/763233312.db2.gz ZDOWGLZJULLZOA-KGLIPLIRSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001014819415 763233319 /nfs/dbraw/zinc/23/33/19/763233319.db2.gz ZDOWGLZJULLZOA-KGLIPLIRSA-N 1 1 331.420 0.320 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001089857462 763260770 /nfs/dbraw/zinc/26/07/70/763260770.db2.gz BKFJZJVNSJOGQJ-AYDFFVQHSA-N 1 1 328.416 0.931 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=NC(=O)N(C)C1 ZINC001089857462 763260781 /nfs/dbraw/zinc/26/07/81/763260781.db2.gz BKFJZJVNSJOGQJ-AYDFFVQHSA-N 1 1 328.416 0.931 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=NC(=O)N(C)C1 ZINC001089857462 763260789 /nfs/dbraw/zinc/26/07/89/763260789.db2.gz BKFJZJVNSJOGQJ-AYDFFVQHSA-N 1 1 328.416 0.931 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2O)C1 ZINC000991760428 763300170 /nfs/dbraw/zinc/30/01/70/763300170.db2.gz BQKBYGODBOJYBE-HZPDHXFCSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2O)C1 ZINC000991760427 763300411 /nfs/dbraw/zinc/30/04/11/763300411.db2.gz BQKBYGODBOJYBE-HOTGVXAUSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]2O)C1 ZINC000991762639 763313873 /nfs/dbraw/zinc/31/38/73/763313873.db2.gz GFGIFBCRKQXUEL-HUUCEWRRSA-N 1 1 346.431 0.626 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2O)C1 ZINC000991762632 763314006 /nfs/dbraw/zinc/31/40/06/763314006.db2.gz GFGIFBCRKQXUEL-CABCVRRESA-N 1 1 346.431 0.626 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001046895337 763325385 /nfs/dbraw/zinc/32/53/85/763325385.db2.gz DTFDKRLCBZVKQO-GUYCJALGSA-N 1 1 346.435 0.342 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@]2(C)C1 ZINC000993136347 768128414 /nfs/dbraw/zinc/12/84/14/768128414.db2.gz QLCQEXXDJGGHAH-RVSPLBMKSA-N 1 1 329.404 0.658 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001046929024 763403985 /nfs/dbraw/zinc/40/39/85/763403985.db2.gz NRGXTTSTHIWILJ-STQMWFEESA-N 1 1 327.375 0.609 20 30 ECEDMO C[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046930761 763409086 /nfs/dbraw/zinc/40/90/86/763409086.db2.gz IXAKDCBTWCXYHC-QWRGUYRKSA-N 1 1 326.347 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cn(CC3CC3)nn2)C1 ZINC001030462488 763440320 /nfs/dbraw/zinc/44/03/20/763440320.db2.gz ZJYXEILSNDASJQ-KRWDZBQOSA-N 1 1 342.447 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cn(CC3CC3)nn2)C1 ZINC001030462488 763440324 /nfs/dbraw/zinc/44/03/24/763440324.db2.gz ZJYXEILSNDASJQ-KRWDZBQOSA-N 1 1 342.447 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001046949191 763442189 /nfs/dbraw/zinc/44/21/89/763442189.db2.gz PMNCLGJCNPJSJC-LBPRGKRZSA-N 1 1 348.357 0.753 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001046949191 763442194 /nfs/dbraw/zinc/44/21/94/763442194.db2.gz PMNCLGJCNPJSJC-LBPRGKRZSA-N 1 1 348.357 0.753 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(C3CC3)n2)C1 ZINC001030463351 763444357 /nfs/dbraw/zinc/44/43/57/763444357.db2.gz KGXKWQSDEMVVIT-AWEZNQCLSA-N 1 1 329.404 0.345 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(C3CC3)n2)C1 ZINC001030463351 763444367 /nfs/dbraw/zinc/44/43/67/763444367.db2.gz KGXKWQSDEMVVIT-AWEZNQCLSA-N 1 1 329.404 0.345 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001046951444 763448191 /nfs/dbraw/zinc/44/81/91/763448191.db2.gz LKMBBEDNVCCWKY-OLZOCXBDSA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001046951444 763448194 /nfs/dbraw/zinc/44/81/94/763448194.db2.gz LKMBBEDNVCCWKY-OLZOCXBDSA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nnc(CC)[nH]2)C1 ZINC001030464144 763455948 /nfs/dbraw/zinc/45/59/48/763455948.db2.gz JEDQFMBSLJRCAD-OCCSQVGLSA-N 1 1 330.436 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nnc(CC)[nH]2)C1 ZINC001030464144 763455956 /nfs/dbraw/zinc/45/59/56/763455956.db2.gz JEDQFMBSLJRCAD-OCCSQVGLSA-N 1 1 330.436 0.326 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCCCCC2)C1 ZINC001030464228 763456397 /nfs/dbraw/zinc/45/63/97/763456397.db2.gz LIQPWQUNQTXMNW-KRWDZBQOSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCCCCC2)C1 ZINC001030464228 763456402 /nfs/dbraw/zinc/45/64/02/763456402.db2.gz LIQPWQUNQTXMNW-KRWDZBQOSA-N 1 1 346.475 0.287 20 30 ECEDMO CN1C[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001031900582 763461223 /nfs/dbraw/zinc/46/12/23/763461223.db2.gz WNJNOKCLTJKKJA-OAHLLOKOSA-N 1 1 327.388 0.130 20 30 ECEDMO C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046964175 763475680 /nfs/dbraw/zinc/47/56/80/763475680.db2.gz NBNOKVHIQINBNG-HUUCEWRRSA-N 1 1 343.418 0.802 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCC2(F)F)nn1 ZINC001046977972 763498395 /nfs/dbraw/zinc/49/83/95/763498395.db2.gz OFWRZKPFSSOHHD-LLVKDONJSA-N 1 1 329.351 0.143 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001046992551 763528912 /nfs/dbraw/zinc/52/89/12/763528912.db2.gz YFDDZAKYFDXTSN-CABCVRRESA-N 1 1 341.402 0.952 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046993779 763530443 /nfs/dbraw/zinc/53/04/43/763530443.db2.gz WXHLGZWUXMQERQ-SNVBAGLBSA-N 1 1 342.346 0.359 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccncc2C#N)C1 ZINC001047022926 763563085 /nfs/dbraw/zinc/56/30/85/763563085.db2.gz IOWXDFJFHSBEHB-XOUADPBQSA-N 1 1 327.432 0.880 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)C1 ZINC001106004158 763610422 /nfs/dbraw/zinc/61/04/22/763610422.db2.gz NIAAJRGZCFPLSO-WMLDXEAASA-N 1 1 345.447 0.820 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)C1 ZINC001106004193 763611727 /nfs/dbraw/zinc/61/17/27/763611727.db2.gz OBMCTXCPADUMHX-ZFWWWQNUSA-N 1 1 346.435 0.215 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccnn3C)C2)CC1 ZINC001052035750 763644482 /nfs/dbraw/zinc/64/44/82/763644482.db2.gz OVSYNMJSHKHSGG-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035870 763644966 /nfs/dbraw/zinc/64/49/66/763644966.db2.gz SDOHGDURUPVICN-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052036019 763646531 /nfs/dbraw/zinc/64/65/31/763646531.db2.gz XCWXMSCJSVIFDU-QGZVFWFLSA-N 1 1 341.459 0.685 20 30 ECEDMO Cc1cc(OCC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)no1 ZINC001052037608 763656414 /nfs/dbraw/zinc/65/64/14/763656414.db2.gz OIVPYSWMCDQNKB-AWEZNQCLSA-N 1 1 333.392 0.104 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCn4nccc43)C2)CC1 ZINC001052044979 763681233 /nfs/dbraw/zinc/68/12/33/763681233.db2.gz PFKWIOAICASOAI-IAGOWNOFSA-N 1 1 341.459 0.612 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045414 763682318 /nfs/dbraw/zinc/68/23/18/763682318.db2.gz SHGRUZPRDQVJFU-INIZCTEOSA-N 1 1 335.427 0.871 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001052046391 763687424 /nfs/dbraw/zinc/68/74/24/763687424.db2.gz ZZHCFDIIIRXOFA-ZIAGYGMSSA-N 1 1 340.493 0.796 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3coc(OCC)n3)C2)CC1 ZINC001052047020 763688512 /nfs/dbraw/zinc/68/85/12/763688512.db2.gz GZLMSWDCFXHCAZ-HNNXBMFYSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc4ncnn43)C2)CC1 ZINC001052047281 763690125 /nfs/dbraw/zinc/69/01/25/763690125.db2.gz LBDIDMDPZJPMFY-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015025071 763692525 /nfs/dbraw/zinc/69/25/25/763692525.db2.gz OWSFBSBIBKZRMW-RBUKOAKNSA-N 1 1 341.455 0.949 20 30 ECEDMO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015025071 763692529 /nfs/dbraw/zinc/69/25/29/763692529.db2.gz OWSFBSBIBKZRMW-RBUKOAKNSA-N 1 1 341.455 0.949 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001052048430 763696734 /nfs/dbraw/zinc/69/67/34/763696734.db2.gz UBAXYDWMECLUOX-RTBURBONSA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(C)c3CCC)C2)CC1 ZINC001052048558 763698096 /nfs/dbraw/zinc/69/80/96/763698096.db2.gz XOWPEVSSDXXIDW-MRXNPFEDSA-N 1 1 343.475 0.838 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncc(OC)cn3)C2)CC1 ZINC001052049154 763700140 /nfs/dbraw/zinc/70/01/40/763700140.db2.gz IHTNAHSMLAMUNE-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4nccn4c3)C2)CC1 ZINC001052052510 763715936 /nfs/dbraw/zinc/71/59/36/763715936.db2.gz OPCQWWJOHCYRNC-MRXNPFEDSA-N 1 1 338.415 0.195 20 30 ECEDMO C[C@@H](CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)c1cnn(C)c1 ZINC001052053479 763718444 /nfs/dbraw/zinc/71/84/44/763718444.db2.gz MCGKFMZETJROBG-RDJZCZTQSA-N 1 1 344.463 0.656 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(CCF)c3)C2)C1=O ZINC001015037698 763721986 /nfs/dbraw/zinc/72/19/86/763721986.db2.gz KQQRPGDBVWKTQI-GJZGRUSLSA-N 1 1 349.410 0.444 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CCF)c3)C2)C1=O ZINC001015037698 763721990 /nfs/dbraw/zinc/72/19/90/763721990.db2.gz KQQRPGDBVWKTQI-GJZGRUSLSA-N 1 1 349.410 0.444 20 30 ECEDMO CCc1cc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n(C)n1 ZINC001052055142 763723307 /nfs/dbraw/zinc/72/33/07/763723307.db2.gz ILJUMUPQZCCPJO-MRXNPFEDSA-N 1 1 344.463 0.267 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccn(C(C)C)n3)C2)CC1 ZINC001052055501 763724928 /nfs/dbraw/zinc/72/49/28/763724928.db2.gz MZZALMKFFHKQAJ-SFHVURJKSA-N 1 1 343.475 0.858 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3coc(C(N)=O)c3)C2)CC1 ZINC001052056597 763728795 /nfs/dbraw/zinc/72/87/95/763728795.db2.gz FXABCVCKQVPHHM-HNNXBMFYSA-N 1 1 344.415 0.234 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1CCC(=O)NC1 ZINC001015043184 763738335 /nfs/dbraw/zinc/73/83/35/763738335.db2.gz MEQVEWFPBFVCHZ-IAGOWNOFSA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCC(=O)NC1 ZINC001015043184 763738342 /nfs/dbraw/zinc/73/83/42/763738342.db2.gz MEQVEWFPBFVCHZ-IAGOWNOFSA-N 1 1 325.412 0.755 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccn4nnnc4c3)C2)CC1 ZINC001052060267 763739752 /nfs/dbraw/zinc/73/97/52/763739752.db2.gz BBYNGFVDALRUFR-HNNXBMFYSA-N 1 1 341.419 0.142 20 30 ECEDMO Cc1n[nH]c(=O)c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1C ZINC001052060467 763740218 /nfs/dbraw/zinc/74/02/18/763740218.db2.gz FHCWCLTYHQLDPB-CQSZACIVSA-N 1 1 344.419 0.155 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(OC)ccn3)C2)CC1 ZINC001052061478 763744564 /nfs/dbraw/zinc/74/45/64/763744564.db2.gz ZAGWRSZTFWIZCH-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3ccc(F)c(C#N)c3)C2)O1 ZINC001030515569 763754903 /nfs/dbraw/zinc/75/49/03/763754903.db2.gz AVBNYAXCDFHECO-SJKOYZFVSA-N 1 1 346.406 0.717 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3ccc(F)c(C#N)c3)C2)O1 ZINC001030515569 763754912 /nfs/dbraw/zinc/75/49/12/763754912.db2.gz AVBNYAXCDFHECO-SJKOYZFVSA-N 1 1 346.406 0.717 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)c1 ZINC001089860572 763755748 /nfs/dbraw/zinc/75/57/48/763755748.db2.gz XWCMCWMUVSCTLS-NXOAAHMSSA-N 1 1 338.411 0.712 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H]1C ZINC001088854841 763755892 /nfs/dbraw/zinc/75/58/92/763755892.db2.gz DNBRAVTWACMQAI-FXUDXRNXSA-N 1 1 335.448 0.921 20 30 ECEDMO COc1ccc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nc1 ZINC001052070003 763767281 /nfs/dbraw/zinc/76/72/81/763767281.db2.gz AQTXGJSKXRUBBZ-INIZCTEOSA-N 1 1 343.431 0.375 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C(F)F)n[nH]3)C2)CC1 ZINC001052079526 763793222 /nfs/dbraw/zinc/79/32/22/763793222.db2.gz CCBWGFQWPNYMCC-LBPRGKRZSA-N 1 1 337.374 0.813 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081680 763798691 /nfs/dbraw/zinc/79/86/91/763798691.db2.gz FBCXEQKJEGELEK-QZTJIDSGSA-N 1 1 332.492 0.713 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cncs3)C2)CC1 ZINC001052081701 763799444 /nfs/dbraw/zinc/79/94/44/763799444.db2.gz FNPCWWUMVBHFBS-AWEZNQCLSA-N 1 1 333.461 0.818 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)C2)CC1 ZINC001052082565 763801579 /nfs/dbraw/zinc/80/15/79/763801579.db2.gz UOSUQXNKGJMVEE-HUUCEWRRSA-N 1 1 342.447 0.572 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(=O)cc3C)C2)CC1 ZINC001052082999 763803882 /nfs/dbraw/zinc/80/38/82/763803882.db2.gz YUPDBQJXTIVXEZ-OAHLLOKOSA-N 1 1 328.416 0.561 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3Cc4ccncc4C3)C2)CC1 ZINC001052084686 763809181 /nfs/dbraw/zinc/80/91/81/763809181.db2.gz XAQWWVWVEAPKIR-AEFFLSMTSA-N 1 1 339.443 0.538 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)CC1 ZINC001052085260 763810912 /nfs/dbraw/zinc/81/09/12/763810912.db2.gz BPJSRTFYKVJAPG-CQSZACIVSA-N 1 1 346.431 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)CC1 ZINC001052085260 763810918 /nfs/dbraw/zinc/81/09/18/763810918.db2.gz BPJSRTFYKVJAPG-CQSZACIVSA-N 1 1 346.431 0.814 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)CC1 ZINC001052085691 763812124 /nfs/dbraw/zinc/81/21/24/763812124.db2.gz JKQQLSUTWNXZGB-CQSZACIVSA-N 1 1 344.415 0.261 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ncccn3)C2)CC1 ZINC001052098989 763856146 /nfs/dbraw/zinc/85/61/46/763856146.db2.gz DUTCOTHLHJSKFI-INIZCTEOSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3ncccn3)C2)CC1 ZINC001052098989 763856155 /nfs/dbraw/zinc/85/61/55/763856155.db2.gz DUTCOTHLHJSKFI-INIZCTEOSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)CC1 ZINC001052101956 763864684 /nfs/dbraw/zinc/86/46/84/763864684.db2.gz BBNQPYFLNZWSRR-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(CCC)nn3)C2)CC1 ZINC001052102618 763866893 /nfs/dbraw/zinc/86/68/93/763866893.db2.gz FXXZLANDWGGFRZ-OAHLLOKOSA-N 1 1 332.452 0.706 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106231 763880127 /nfs/dbraw/zinc/88/01/27/763880127.db2.gz GDQDTWOXBKWJCE-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106407 763881137 /nfs/dbraw/zinc/88/11/37/763881137.db2.gz KIDCCJXLDWHTIL-NVXWUHKLSA-N 1 1 341.459 0.366 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106344909 768173736 /nfs/dbraw/zinc/17/37/36/768173736.db2.gz RXUMGJGSVHHQHH-OCCSQVGLSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106344909 768173742 /nfs/dbraw/zinc/17/37/42/768173742.db2.gz RXUMGJGSVHHQHH-OCCSQVGLSA-N 1 1 332.408 0.376 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)CC1 ZINC001052112892 763908771 /nfs/dbraw/zinc/90/87/71/763908771.db2.gz GYBWHDZIGWWCDB-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)CC1 ZINC001052112892 763908781 /nfs/dbraw/zinc/90/87/81/763908781.db2.gz GYBWHDZIGWWCDB-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052112849 763909086 /nfs/dbraw/zinc/90/90/86/763909086.db2.gz GFRKJOVKMFMYCW-MSOLQXFVSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)CC1 ZINC001052119063 763935129 /nfs/dbraw/zinc/93/51/29/763935129.db2.gz ISNOJLJCHPTUHO-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052124201 763951321 /nfs/dbraw/zinc/95/13/21/763951321.db2.gz ZQNIGISIWKHAFA-NVXWUHKLSA-N 1 1 331.464 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052124201 763951328 /nfs/dbraw/zinc/95/13/28/763951328.db2.gz ZQNIGISIWKHAFA-NVXWUHKLSA-N 1 1 331.464 0.928 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cscn3)C2)CC1 ZINC001052124052 763951475 /nfs/dbraw/zinc/95/14/75/763951475.db2.gz XUCHLTUACGPPAJ-HNNXBMFYSA-N 1 1 333.461 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2cncc(C#N)n2)C1 ZINC001052132221 763963765 /nfs/dbraw/zinc/96/37/65/763963765.db2.gz MLPZWBHERXPNDZ-XUJLQICISA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2cncc(C#N)n2)C1 ZINC001052132221 763963768 /nfs/dbraw/zinc/96/37/68/763963768.db2.gz MLPZWBHERXPNDZ-XUJLQICISA-N 1 1 338.415 0.753 20 30 ECEDMO COCC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](COC)OC ZINC001099220074 768179162 /nfs/dbraw/zinc/17/91/62/768179162.db2.gz GXVAAEJFKJDYAN-HZPDHXFCSA-N 1 1 340.464 0.904 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](COC)OC ZINC001099220074 768179167 /nfs/dbraw/zinc/17/91/67/768179167.db2.gz GXVAAEJFKJDYAN-HZPDHXFCSA-N 1 1 340.464 0.904 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047322296 763991128 /nfs/dbraw/zinc/99/11/28/763991128.db2.gz NXFSCNNBJBALMN-SQNIBIBYSA-N 1 1 342.443 0.656 20 30 ECEDMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001052184828 764023247 /nfs/dbraw/zinc/02/32/47/764023247.db2.gz RWCIPBKTTSKNJQ-KRWDZBQOSA-N 1 1 338.415 0.696 20 30 ECEDMO CN(C(=O)C[C@@H]1CCOC1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047330734 764024286 /nfs/dbraw/zinc/02/42/86/764024286.db2.gz VKNXRRAGULOSFE-BZSNNMDCSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)C[C@@H]1CCOC1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047330734 764024294 /nfs/dbraw/zinc/02/42/94/764024294.db2.gz VKNXRRAGULOSFE-BZSNNMDCSA-N 1 1 343.427 0.988 20 30 ECEDMO C=CCCC(=O)NCC[NH2+]Cc1nnnn1-c1ccc(OC)cc1 ZINC001124640997 764030006 /nfs/dbraw/zinc/03/00/06/764030006.db2.gz YHHRUFPBHYACSS-UHFFFAOYSA-N 1 1 330.392 0.843 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001052206356 764052418 /nfs/dbraw/zinc/05/24/18/764052418.db2.gz GREPTCFYKIOVPM-CABCVRRESA-N 1 1 325.453 0.740 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CN3CCCCS3(=O)=O)CCC[C@H]12 ZINC000991864213 764112569 /nfs/dbraw/zinc/11/25/69/764112569.db2.gz UUKBOIFIGZVGRJ-GOEBONIOSA-N 1 1 341.477 0.711 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CN3CCCCS3(=O)=O)CCC[C@@H]12 ZINC000991864210 764112784 /nfs/dbraw/zinc/11/27/84/764112784.db2.gz UUKBOIFIGZVGRJ-GDBMZVCRSA-N 1 1 341.477 0.711 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001047375687 764153438 /nfs/dbraw/zinc/15/34/38/764153438.db2.gz FGTJURWLTRZGCQ-GJZGRUSLSA-N 1 1 342.399 0.821 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001047375687 764153449 /nfs/dbraw/zinc/15/34/49/764153449.db2.gz FGTJURWLTRZGCQ-GJZGRUSLSA-N 1 1 342.399 0.821 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccn(C(C)C)n3)C2)C1=O ZINC001032020454 764159549 /nfs/dbraw/zinc/15/95/49/764159549.db2.gz NNWDFWUWPJLQNU-MRXNPFEDSA-N 1 1 345.447 0.913 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cc[nH]n3)CC2)C1=O ZINC001052269953 764166198 /nfs/dbraw/zinc/16/61/98/764166198.db2.gz CVOLOKRDUWOUDW-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C1 ZINC001047388109 764186397 /nfs/dbraw/zinc/18/63/97/764186397.db2.gz DCDWGYOMUPHKMA-ULQDDVLXSA-N 1 1 345.447 0.317 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047392315 764195656 /nfs/dbraw/zinc/19/56/56/764195656.db2.gz BGDYNBVYBJAKIE-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047392315 764195659 /nfs/dbraw/zinc/19/56/59/764195659.db2.gz BGDYNBVYBJAKIE-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001047392528 764196574 /nfs/dbraw/zinc/19/65/74/764196574.db2.gz MQUYWRQSYAIIOZ-PMPSAXMXSA-N 1 1 335.448 0.162 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001047392855 764198544 /nfs/dbraw/zinc/19/85/44/764198544.db2.gz HFYJMWBSVDXNIH-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001047392855 764198547 /nfs/dbraw/zinc/19/85/47/764198547.db2.gz HFYJMWBSVDXNIH-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001047397535 764210254 /nfs/dbraw/zinc/21/02/54/764210254.db2.gz WMLNVVRUXCOEHP-KKUMJFAQSA-N 1 1 330.384 0.353 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001047397535 764210261 /nfs/dbraw/zinc/21/02/61/764210261.db2.gz WMLNVVRUXCOEHP-KKUMJFAQSA-N 1 1 330.384 0.353 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001047397254 764210374 /nfs/dbraw/zinc/21/03/74/764210374.db2.gz PWRRIXQKXYRXHP-STQMWFEESA-N 1 1 328.372 0.322 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001047397254 764210378 /nfs/dbraw/zinc/21/03/78/764210378.db2.gz PWRRIXQKXYRXHP-STQMWFEESA-N 1 1 328.372 0.322 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)n[nH]2)C1 ZINC001047398218 764214194 /nfs/dbraw/zinc/21/41/94/764214194.db2.gz GOLPUKVXYUHCGR-QWRGUYRKSA-N 1 1 341.209 0.313 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)n[nH]2)C1 ZINC001047398218 764214205 /nfs/dbraw/zinc/21/42/05/764214205.db2.gz GOLPUKVXYUHCGR-QWRGUYRKSA-N 1 1 341.209 0.313 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052313742 764233383 /nfs/dbraw/zinc/23/33/83/764233383.db2.gz CCXQRRSLYNJIPU-ZDUSSCGKSA-N 1 1 327.392 0.799 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052313742 764233389 /nfs/dbraw/zinc/23/33/89/764233389.db2.gz CCXQRRSLYNJIPU-ZDUSSCGKSA-N 1 1 327.392 0.799 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C ZINC001106984757 764236884 /nfs/dbraw/zinc/23/68/84/764236884.db2.gz YTYOVGBRWXAHDD-BZUAXINKSA-N 1 1 336.480 0.457 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001047414881 764271387 /nfs/dbraw/zinc/27/13/87/764271387.db2.gz XGAWOMPCVSKFEK-KBPBESRZSA-N 1 1 329.356 0.674 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001047414881 764271390 /nfs/dbraw/zinc/27/13/90/764271390.db2.gz XGAWOMPCVSKFEK-KBPBESRZSA-N 1 1 329.356 0.674 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001047414876 764271666 /nfs/dbraw/zinc/27/16/66/764271666.db2.gz XVQILZJOQLIBIW-ILXRZTDVSA-N 1 1 331.420 0.135 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001047414876 764271672 /nfs/dbraw/zinc/27/16/72/764271672.db2.gz XVQILZJOQLIBIW-ILXRZTDVSA-N 1 1 331.420 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC000995276202 764289603 /nfs/dbraw/zinc/28/96/03/764289603.db2.gz VRIVSYVJHMPYTG-YOEHRIQHSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC000995276202 764289604 /nfs/dbraw/zinc/28/96/04/764289604.db2.gz VRIVSYVJHMPYTG-YOEHRIQHSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC(F)F)nc2C)C1 ZINC001047419966 764290679 /nfs/dbraw/zinc/29/06/79/764290679.db2.gz WZZHDYZKBCPJFU-STQMWFEESA-N 1 1 328.363 0.760 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC(F)F)nc2C)C1 ZINC001047419966 764290689 /nfs/dbraw/zinc/29/06/89/764290689.db2.gz WZZHDYZKBCPJFU-STQMWFEESA-N 1 1 328.363 0.760 20 30 ECEDMO C=CCOc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)cc1 ZINC001047433341 764331346 /nfs/dbraw/zinc/33/13/46/764331346.db2.gz KNRXSKGZEBOOAR-IRXDYDNUSA-N 1 1 334.416 0.751 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cc(C)sc3n2)C1 ZINC001047441835 764358889 /nfs/dbraw/zinc/35/88/89/764358889.db2.gz NBJBSHHELYIKIZ-KBPBESRZSA-N 1 1 332.429 0.383 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cc(C)sc3n2)C1 ZINC001047441835 764358900 /nfs/dbraw/zinc/35/89/00/764358900.db2.gz NBJBSHHELYIKIZ-KBPBESRZSA-N 1 1 332.429 0.383 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC1 ZINC001052382290 764376039 /nfs/dbraw/zinc/37/60/39/764376039.db2.gz JJCWVKRELSOEDW-AWEZNQCLSA-N 1 1 333.432 0.766 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1C ZINC001088895218 764389143 /nfs/dbraw/zinc/38/91/43/764389143.db2.gz PIKRQIHVMVHHLW-OLZOCXBDSA-N 1 1 330.392 0.046 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(OC)ccn32)C1 ZINC001047456351 764400242 /nfs/dbraw/zinc/40/02/42/764400242.db2.gz AUWAUZNRNFRMHO-HOTGVXAUSA-N 1 1 342.399 0.483 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(OC)ccn32)C1 ZINC001047456351 764400246 /nfs/dbraw/zinc/40/02/46/764400246.db2.gz AUWAUZNRNFRMHO-HOTGVXAUSA-N 1 1 342.399 0.483 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001047470806 764436266 /nfs/dbraw/zinc/43/62/66/764436266.db2.gz BAUJJRCUWFOWOR-IHRRRGAJSA-N 1 1 347.406 0.032 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001047482050 764476764 /nfs/dbraw/zinc/47/67/64/764476764.db2.gz MGEXELAEMMPGBS-GJZGRUSLSA-N 1 1 329.404 0.649 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001047482050 764476767 /nfs/dbraw/zinc/47/67/67/764476767.db2.gz MGEXELAEMMPGBS-GJZGRUSLSA-N 1 1 329.404 0.649 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001047484317 764483754 /nfs/dbraw/zinc/48/37/54/764483754.db2.gz RVDNQHXPXFYZKW-IHRRRGAJSA-N 1 1 333.388 0.667 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001047501169 764525598 /nfs/dbraw/zinc/52/55/98/764525598.db2.gz NMQCMYAIHCKBNF-KKUMJFAQSA-N 1 1 334.420 0.954 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1CCOCC1 ZINC001089875069 764601386 /nfs/dbraw/zinc/60/13/86/764601386.db2.gz LAOCYEBDYZYRQO-MLHJIOFPSA-N 1 1 331.460 0.511 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001047528679 764604223 /nfs/dbraw/zinc/60/42/23/764604223.db2.gz XNJSBMSVHUOQLU-PVAVHDDUSA-N 1 1 332.448 0.834 20 30 ECEDMO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047528807 764605430 /nfs/dbraw/zinc/60/54/30/764605430.db2.gz CTXYPYKXSSVJLA-KBPBESRZSA-N 1 1 329.872 0.974 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001052500786 764625814 /nfs/dbraw/zinc/62/58/14/764625814.db2.gz PGWNIGMAPZFTMF-ZDUSSCGKSA-N 1 1 339.417 0.535 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001047537442 764627050 /nfs/dbraw/zinc/62/70/50/764627050.db2.gz JTHPWIKSHRNTNA-KBPBESRZSA-N 1 1 334.420 0.044 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001052502283 764630347 /nfs/dbraw/zinc/63/03/47/764630347.db2.gz CNOFDCHXCRNTQF-KGLIPLIRSA-N 1 1 331.420 0.540 20 30 ECEDMO C[C@@H](CCNc1nccnc1C#N)NC(=O)CC[NH+]1CCOCC1 ZINC001106382684 768228279 /nfs/dbraw/zinc/22/82/79/768228279.db2.gz GUCJQESTSXBTPZ-ZDUSSCGKSA-N 1 1 332.408 0.377 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001047544545 764648512 /nfs/dbraw/zinc/64/85/12/764648512.db2.gz DFABKTQVJALOQZ-RYUDHWBXSA-N 1 1 344.337 0.579 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+]([C@@H](C)COC)C[C@@H]2O)nn1 ZINC001047557703 764689092 /nfs/dbraw/zinc/68/90/92/764689092.db2.gz ILUDMBCLRDNOKR-QEJZJMRPSA-N 1 1 337.424 0.006 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001047561639 764697216 /nfs/dbraw/zinc/69/72/16/764697216.db2.gz QJCQRJRPOWEYKX-OWSLCNJRSA-N 1 1 328.412 0.901 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001047561639 764697218 /nfs/dbraw/zinc/69/72/18/764697218.db2.gz QJCQRJRPOWEYKX-OWSLCNJRSA-N 1 1 328.412 0.901 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001047564258 764702857 /nfs/dbraw/zinc/70/28/57/764702857.db2.gz NWJIXPNVHXXQJC-STQMWFEESA-N 1 1 331.376 0.128 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001052536611 764712975 /nfs/dbraw/zinc/71/29/75/764712975.db2.gz GOBMNVMFRLDQEO-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001052536611 764712980 /nfs/dbraw/zinc/71/29/80/764712980.db2.gz GOBMNVMFRLDQEO-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001052544791 764726319 /nfs/dbraw/zinc/72/63/19/764726319.db2.gz STFVWNHBQZPLGP-CQSZACIVSA-N 1 1 332.404 0.107 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3nccc3nc2C)C1 ZINC001047581528 764767899 /nfs/dbraw/zinc/76/78/99/764767899.db2.gz CHTYNDPBYVGZCI-GJZGRUSLSA-N 1 1 329.404 0.731 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001047586116 764784502 /nfs/dbraw/zinc/78/45/02/764784502.db2.gz JMJYVWIVPZEJIO-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001032136540 764787756 /nfs/dbraw/zinc/78/77/56/764787756.db2.gz OZTGNRRLYFNNPS-ZDUSSCGKSA-N 1 1 344.415 0.232 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCN(C(C)C)C3=O)C2)cn1 ZINC001032137865 764789854 /nfs/dbraw/zinc/78/98/54/764789854.db2.gz CSPUZUGPEGAULR-QGZVFWFLSA-N 1 1 340.427 0.734 20 30 ECEDMO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032138209 764791624 /nfs/dbraw/zinc/79/16/24/764791624.db2.gz QIYPTTCMWOSXRW-HNNXBMFYSA-N 1 1 342.399 0.393 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001052585278 764799160 /nfs/dbraw/zinc/79/91/60/764799160.db2.gz ZQHSPYURUGTJCZ-ZFWWWQNUSA-N 1 1 331.420 0.912 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047592226 764805588 /nfs/dbraw/zinc/80/55/88/764805588.db2.gz HEHRUCHECXHGAB-RDBSUJKOSA-N 1 1 335.404 0.144 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2OCC=C)C1 ZINC001047592453 764807688 /nfs/dbraw/zinc/80/76/88/764807688.db2.gz QABZFVWGIBJZEK-GJZGRUSLSA-N 1 1 329.400 0.787 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N(C)CCOCCNc1ccc(C#N)nn1 ZINC001127334628 768248456 /nfs/dbraw/zinc/24/84/56/768248456.db2.gz LLJDPGUWQFAHNR-UHFFFAOYSA-N 1 1 334.424 0.575 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001047594207 764815257 /nfs/dbraw/zinc/81/52/57/764815257.db2.gz QLQBRHLYMAYKMV-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001047594207 764815264 /nfs/dbraw/zinc/81/52/64/764815264.db2.gz QLQBRHLYMAYKMV-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc3ccccc3n2)C1 ZINC001047599448 764838235 /nfs/dbraw/zinc/83/82/35/764838235.db2.gz VJRNZQVPMPQLHZ-IRXDYDNUSA-N 1 1 326.400 0.563 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2OCCc3ccsc32)C1 ZINC001047601724 764844990 /nfs/dbraw/zinc/84/49/90/764844990.db2.gz IQSZPNHXSFWIHC-SOUVJXGZSA-N 1 1 334.441 0.889 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2OCCc3ccsc32)C1 ZINC001047601724 764844997 /nfs/dbraw/zinc/84/49/97/764844997.db2.gz IQSZPNHXSFWIHC-SOUVJXGZSA-N 1 1 334.441 0.889 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1OC ZINC001212194777 764883222 /nfs/dbraw/zinc/88/32/22/764883222.db2.gz WTCASSKZPPSIMG-INMHGKMJSA-N 1 1 326.437 0.556 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001047623972 764910080 /nfs/dbraw/zinc/91/00/80/764910080.db2.gz ZBPALKLVYFTUGR-GJZGRUSLSA-N 1 1 334.420 0.421 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047626532 764919966 /nfs/dbraw/zinc/91/99/66/764919966.db2.gz DKRMMEZENMUVOX-SQNIBIBYSA-N 1 1 342.443 0.513 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC001052708347 765020632 /nfs/dbraw/zinc/02/06/32/765020632.db2.gz XHJSCDSBUZRCSG-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cnnn4)cn3)CCC[C@H]12 ZINC000991976030 765028038 /nfs/dbraw/zinc/02/80/38/765028038.db2.gz QDJXCRWXPBDEOF-RDJZCZTQSA-N 1 1 337.387 0.417 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001052714409 765033944 /nfs/dbraw/zinc/03/39/44/765033944.db2.gz PFBRQUGMEDTANZ-UTUOFQBUSA-N 1 1 344.253 0.987 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001052714409 765033947 /nfs/dbraw/zinc/03/39/47/765033947.db2.gz PFBRQUGMEDTANZ-UTUOFQBUSA-N 1 1 344.253 0.987 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cncn3C)CC2)nn1 ZINC001052774793 765096089 /nfs/dbraw/zinc/09/60/89/765096089.db2.gz JQLGKMHRKPYDQG-AWEZNQCLSA-N 1 1 343.435 0.982 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001052792837 765131474 /nfs/dbraw/zinc/13/14/74/765131474.db2.gz UNRYMYREYJPBTM-LBPRGKRZSA-N 1 1 327.812 0.762 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C2)c1 ZINC001015679900 765151704 /nfs/dbraw/zinc/15/17/04/765151704.db2.gz PMZIZLVDOHGJSO-SJORKVTESA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C2)c1 ZINC001015679900 765151706 /nfs/dbraw/zinc/15/17/06/765151706.db2.gz PMZIZLVDOHGJSO-SJORKVTESA-N 1 1 340.427 0.876 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001052815269 765172900 /nfs/dbraw/zinc/17/29/00/765172900.db2.gz TXFWKYLGXLKQFI-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cccnn3)CC2)C1=O ZINC001052817085 765175718 /nfs/dbraw/zinc/17/57/18/765175718.db2.gz RRNQIUTUQLRRFP-ZBFHGGJFSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001052830305 765193334 /nfs/dbraw/zinc/19/33/34/765193334.db2.gz CWCMAXYSJAMTQX-JKSUJKDBSA-N 1 1 345.447 0.922 20 30 ECEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001015707817 765202305 /nfs/dbraw/zinc/20/23/05/765202305.db2.gz TYETZGVGPQYCHO-IXDOHACOSA-N 1 1 340.427 0.973 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC001052849365 765224037 /nfs/dbraw/zinc/22/40/37/765224037.db2.gz SRUJRXZIWJKHFC-OAHLLOKOSA-N 1 1 347.463 0.928 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000992045185 765268488 /nfs/dbraw/zinc/26/84/88/765268488.db2.gz NRWHVTUXLHETTA-MBHSVXNSSA-N 1 1 329.404 0.463 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001052906186 765326936 /nfs/dbraw/zinc/32/69/36/765326936.db2.gz SNHANSOFDDKADG-HUUCEWRRSA-N 1 1 343.855 0.957 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C2)cc1 ZINC001015837181 765411922 /nfs/dbraw/zinc/41/19/22/765411922.db2.gz OMGVFSUMLCWMQS-HNNXBMFYSA-N 1 1 340.383 0.302 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001046689394 768299532 /nfs/dbraw/zinc/29/95/32/768299532.db2.gz IVSWTLVKLMKOBJ-ZFWWWQNUSA-N 1 1 329.466 0.567 20 30 ECEDMO Cn1nccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052988188 765465432 /nfs/dbraw/zinc/46/54/32/765465432.db2.gz YPPWKXBWSHHSDN-IYBDPMFKSA-N 1 1 342.447 0.697 20 30 ECEDMO Cc1n[nH]cc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052990406 765468884 /nfs/dbraw/zinc/46/88/84/765468884.db2.gz BSWJWWSCYKLJOY-IYBDPMFKSA-N 1 1 342.447 0.995 20 30 ECEDMO Cc1nonc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052994811 765473949 /nfs/dbraw/zinc/47/39/49/765473949.db2.gz OWGAKPOOPKYDTR-GASCZTMLSA-N 1 1 344.419 0.655 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001053029389 765500652 /nfs/dbraw/zinc/50/06/52/765500652.db2.gz RBCISHGRTWCWIU-DLBZAZTESA-N 1 1 349.475 0.982 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2cnnn2)C1 ZINC001053069292 765543453 /nfs/dbraw/zinc/54/34/53/765543453.db2.gz ZDTNJULVSFWXTG-HOTGVXAUSA-N 1 1 330.436 0.790 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1ccnc(C#N)n1 ZINC001106444988 768313283 /nfs/dbraw/zinc/31/32/83/768313283.db2.gz GJSPMSCAKUXFSA-KGLIPLIRSA-N 1 1 330.436 0.950 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)C1=O ZINC001016000271 765696473 /nfs/dbraw/zinc/69/64/73/765696473.db2.gz AXFQZEADOYGLSK-KGLIPLIRSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)C1=O ZINC001016000271 765696482 /nfs/dbraw/zinc/69/64/82/765696482.db2.gz AXFQZEADOYGLSK-KGLIPLIRSA-N 1 1 345.447 0.665 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001017714833 768319322 /nfs/dbraw/zinc/31/93/22/768319322.db2.gz SZNBRWFBNXLOOD-OKILXGFUSA-N 1 1 332.404 0.590 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12 ZINC000992172275 765767727 /nfs/dbraw/zinc/76/77/27/765767727.db2.gz OCTYPENUNKBXGK-OLMMMNRUSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ncc(F)cn2)C[C@H]1C ZINC001053228615 765797669 /nfs/dbraw/zinc/79/76/69/765797669.db2.gz ZORFLMZFNFMJAE-FMKPAKJESA-N 1 1 345.422 0.902 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ncc(F)cn2)C[C@H]1C ZINC001053228615 765797673 /nfs/dbraw/zinc/79/76/73/765797673.db2.gz ZORFLMZFNFMJAE-FMKPAKJESA-N 1 1 345.422 0.902 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001016115610 765800851 /nfs/dbraw/zinc/80/08/51/765800851.db2.gz ZJFUWMKQPKBRJR-IRXDYDNUSA-N 1 1 325.412 0.680 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001016115610 765800858 /nfs/dbraw/zinc/80/08/58/765800858.db2.gz ZJFUWMKQPKBRJR-IRXDYDNUSA-N 1 1 325.412 0.680 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1)CC(C)(C)C ZINC001106109141 765872807 /nfs/dbraw/zinc/87/28/07/765872807.db2.gz UTYGZDSCFALMHC-CYBMUJFWSA-N 1 1 334.424 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cccnc2)C1 ZINC000992209391 765910780 /nfs/dbraw/zinc/91/07/80/765910780.db2.gz WPLVYEJFKVBYLD-PREGVCBESA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cccnc2)C1 ZINC000992209391 765910788 /nfs/dbraw/zinc/91/07/88/765910788.db2.gz WPLVYEJFKVBYLD-PREGVCBESA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2oncc2C)C1 ZINC000992209627 765911988 /nfs/dbraw/zinc/91/19/88/765911988.db2.gz XYJOSXFRDWTFBH-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2oncc2C)C1 ZINC000992209627 765911991 /nfs/dbraw/zinc/91/19/91/765911991.db2.gz XYJOSXFRDWTFBH-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2 ZINC001053336262 765994882 /nfs/dbraw/zinc/99/48/82/765994882.db2.gz UHNMVBSHHRHOPS-UHFFFAOYSA-N 1 1 334.420 0.922 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001017750066 768346174 /nfs/dbraw/zinc/34/61/74/768346174.db2.gz JOUXKSLPQDHDRC-ZACQAIPSSA-N 1 1 347.459 0.804 20 30 ECEDMO C=C(Br)CN1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001016304924 766080079 /nfs/dbraw/zinc/08/00/79/766080079.db2.gz ISUASOBBNOKPMD-CHWSQXEVSA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(Br)CN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001016304924 766080087 /nfs/dbraw/zinc/08/00/87/766080087.db2.gz ISUASOBBNOKPMD-CHWSQXEVSA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)[C@@H](O)C1 ZINC001083684401 766089707 /nfs/dbraw/zinc/08/97/07/766089707.db2.gz UIWBOOQJGBRWMA-IMJJTQAJSA-N 1 1 329.400 0.850 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001016325838 766116799 /nfs/dbraw/zinc/11/67/99/766116799.db2.gz NILWCWDNSZIYKL-SSDMNJCBSA-N 1 1 329.404 0.700 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)[C@@H](O)C1 ZINC001083685288 766155759 /nfs/dbraw/zinc/15/57/59/766155759.db2.gz NBENZNWARZELPK-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)[C@@H](O)C1 ZINC001083685288 766155763 /nfs/dbraw/zinc/15/57/63/766155763.db2.gz NBENZNWARZELPK-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2-n2cccc2)[C@@H](O)C1 ZINC001083687759 766244074 /nfs/dbraw/zinc/24/40/74/766244074.db2.gz JISHJVOYCKXFOM-CABCVRRESA-N 1 1 327.388 0.009 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2-n2cccc2)[C@@H](O)C1 ZINC001083687759 766244076 /nfs/dbraw/zinc/24/40/76/766244076.db2.gz JISHJVOYCKXFOM-CABCVRRESA-N 1 1 327.388 0.009 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCN(C)S3(=O)=O)CCC[C@@H]12 ZINC000992314569 766248217 /nfs/dbraw/zinc/24/82/17/766248217.db2.gz UITBBQUFJPDBKO-SQWLQELKSA-N 1 1 341.477 0.710 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992324638 766275745 /nfs/dbraw/zinc/27/57/45/766275745.db2.gz CAKUOOGALSHOJE-IAQYHMDHSA-N 1 1 340.811 0.404 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992324638 766275748 /nfs/dbraw/zinc/27/57/48/766275748.db2.gz CAKUOOGALSHOJE-IAQYHMDHSA-N 1 1 340.811 0.404 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083691171 766354327 /nfs/dbraw/zinc/35/43/27/766354327.db2.gz BRPPRLGAXWFQCY-JQHSSLGASA-N 1 1 328.412 0.869 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)C3CC(OCC)C3)C2)C1=O ZINC001031651231 766354786 /nfs/dbraw/zinc/35/47/86/766354786.db2.gz NEAWDUMKWIQUSW-UYSNPLJNSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cscn3)C2)C1=O ZINC001015802210 766399077 /nfs/dbraw/zinc/39/90/77/766399077.db2.gz GIZWFFIQYMAVND-TZMCWYRMSA-N 1 1 334.445 0.663 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cscn3)C2)C1=O ZINC001015802210 766399088 /nfs/dbraw/zinc/39/90/88/766399088.db2.gz GIZWFFIQYMAVND-TZMCWYRMSA-N 1 1 334.445 0.663 20 30 ECEDMO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)O2 ZINC001053606467 766420738 /nfs/dbraw/zinc/42/07/38/766420738.db2.gz KVYUYEVTSLKRJO-IAGOWNOFSA-N 1 1 333.476 0.947 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](C)O)CC1 ZINC001045896228 766477880 /nfs/dbraw/zinc/47/78/80/766477880.db2.gz YVVMKASRPHSIHH-JQHSSLGASA-N 1 1 333.476 0.778 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](C)O)CC1 ZINC001045896228 766477886 /nfs/dbraw/zinc/47/78/86/766477886.db2.gz YVVMKASRPHSIHH-JQHSSLGASA-N 1 1 333.476 0.778 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)c1 ZINC001045931966 766501469 /nfs/dbraw/zinc/50/14/69/766501469.db2.gz XPZXZUXAWIHLAH-KRWDZBQOSA-N 1 1 329.404 0.690 20 30 ECEDMO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649672 766511935 /nfs/dbraw/zinc/51/19/35/766511935.db2.gz SMHYWVRGXFNJDM-CVEARBPZSA-N 1 1 335.448 0.078 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H](C)C(N)=O)CC3)nc1 ZINC000992417534 766532729 /nfs/dbraw/zinc/53/27/29/766532729.db2.gz DMVGTGPKTSHMQQ-PNPHSEOMSA-N 1 1 326.400 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@@H](C)C(N)=O)CC3)nc1 ZINC000992417534 766532762 /nfs/dbraw/zinc/53/27/62/766532762.db2.gz DMVGTGPKTSHMQQ-PNPHSEOMSA-N 1 1 326.400 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H]2CCNC2=O)CC3)nc1 ZINC000992424082 766541811 /nfs/dbraw/zinc/54/18/11/766541811.db2.gz RCUXSDBOINKCFG-MDZRGWNJSA-N 1 1 338.411 0.678 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H]2CCNC2=O)CC3)nc1 ZINC000992424080 766542244 /nfs/dbraw/zinc/54/22/44/766542244.db2.gz RCUXSDBOINKCFG-GJYPPUQNSA-N 1 1 338.411 0.678 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@@H]12 ZINC000992428575 766548685 /nfs/dbraw/zinc/54/86/85/766548685.db2.gz MQHDJUGVGUPCFM-DYVFJYSZSA-N 1 1 332.404 0.065 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC3(C[NH+]([C@H](C)COC)C3)O2)nn1 ZINC001053676826 766560761 /nfs/dbraw/zinc/56/07/61/766560761.db2.gz KOUBYRGGTPRFHA-ZIAGYGMSSA-N 1 1 349.435 0.462 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3n[nH]cc3C1)O2 ZINC001053686186 766586327 /nfs/dbraw/zinc/58/63/27/766586327.db2.gz JGKIEHATEYGADV-HOCLYGCPSA-N 1 1 342.443 0.888 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C(C)=O)CCO3)CCC[C@@H]12 ZINC000992446294 766589036 /nfs/dbraw/zinc/58/90/36/766589036.db2.gz CCRKXLQLYJELJR-JFIYKMOQSA-N 1 1 333.432 0.370 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc(C)cn3)CC2)C1 ZINC001046006243 766614733 /nfs/dbraw/zinc/61/47/33/766614733.db2.gz HWGVYIXWCLIUKS-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C(C)=O)CCO3)CCC[C@H]12 ZINC000992455514 766615270 /nfs/dbraw/zinc/61/52/70/766615270.db2.gz LSCGERNAWUMEOE-XYJFISCASA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCN1C(C)=O)O2 ZINC001053700972 766621095 /nfs/dbraw/zinc/62/10/95/766621095.db2.gz JGWAETGDPRNUGS-HZPDHXFCSA-N 1 1 333.432 0.370 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3n[nH]c(C)c3C)CC2)C1 ZINC001046010863 766634513 /nfs/dbraw/zinc/63/45/13/766634513.db2.gz VYGWPNMDXNLDHQ-MRXNPFEDSA-N 1 1 329.448 0.882 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccn(C)n3)C2)CC1 ZINC001046013286 766641791 /nfs/dbraw/zinc/64/17/91/766641791.db2.gz WBUAZDJGVOXSBM-HOCLYGCPSA-N 1 1 330.436 0.298 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)CC1 ZINC001046013286 766641803 /nfs/dbraw/zinc/64/18/03/766641803.db2.gz WBUAZDJGVOXSBM-HOCLYGCPSA-N 1 1 330.436 0.298 20 30 ECEDMO COC[C@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046018330 766656893 /nfs/dbraw/zinc/65/68/93/766656893.db2.gz VTPYIRPSTNTZQO-HOCLYGCPSA-N 1 1 345.447 0.753 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)C1 ZINC001046022879 766671269 /nfs/dbraw/zinc/67/12/69/766671269.db2.gz WFYBOUYWZZPMTC-INIZCTEOSA-N 1 1 328.416 0.643 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cccnc3)CC2)C1 ZINC001046023865 766673999 /nfs/dbraw/zinc/67/39/99/766673999.db2.gz YIYPVCUCZWULIC-SFHVURJKSA-N 1 1 326.444 0.866 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1OC ZINC001212262336 766684710 /nfs/dbraw/zinc/68/47/10/766684710.db2.gz LPGGTUXDCKPTEC-QZTJIDSGSA-N 1 1 346.427 0.534 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000994750704 766687769 /nfs/dbraw/zinc/68/77/69/766687769.db2.gz BVPCASIYZOHMKV-BONHGPHZSA-N 1 1 341.455 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000994750704 766687774 /nfs/dbraw/zinc/68/77/74/766687774.db2.gz BVPCASIYZOHMKV-BONHGPHZSA-N 1 1 341.455 0.703 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1OC ZINC001212262672 766694239 /nfs/dbraw/zinc/69/42/39/766694239.db2.gz VWEPDIZEQUPYBE-MCIONIFRSA-N 1 1 346.374 0.266 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1OC ZINC001212262672 766694245 /nfs/dbraw/zinc/69/42/45/766694245.db2.gz VWEPDIZEQUPYBE-MCIONIFRSA-N 1 1 346.374 0.266 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ncc[nH]3)CC2)C1 ZINC001046029068 766694338 /nfs/dbraw/zinc/69/43/38/766694338.db2.gz YHQYABCPVZZYMW-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC001046030185 766696587 /nfs/dbraw/zinc/69/65/87/766696587.db2.gz LDMFXRSXGULDEG-CQSZACIVSA-N 1 1 331.420 0.503 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046030465 766698060 /nfs/dbraw/zinc/69/80/60/766698060.db2.gz RVEDQJSZNKKSGA-ZACQAIPSSA-N 1 1 337.464 0.178 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2[nH]cnc2C)C1 ZINC001016670137 766699131 /nfs/dbraw/zinc/69/91/31/766699131.db2.gz JFBIXXHIVYEVQX-NRXISQOPSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2[nH]cnc2C)C1 ZINC001016670137 766699135 /nfs/dbraw/zinc/69/91/35/766699135.db2.gz JFBIXXHIVYEVQX-NRXISQOPSA-N 1 1 343.431 0.535 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nnn(C(C)(C)C)n3)CC2)C1 ZINC001046030888 766699252 /nfs/dbraw/zinc/69/92/52/766699252.db2.gz DZYODCFVGMQZKV-AWEZNQCLSA-N 1 1 347.467 0.446 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C)CC(F)(F)C2)C1 ZINC000994752116 766699914 /nfs/dbraw/zinc/69/99/14/766699914.db2.gz PMAKVEZTVIFDRR-ZDUSSCGKSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C)CC(F)(F)C2)C1 ZINC000994752116 766699916 /nfs/dbraw/zinc/69/99/16/766699916.db2.gz PMAKVEZTVIFDRR-ZDUSSCGKSA-N 1 1 339.386 0.846 20 30 ECEDMO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089624684 766703584 /nfs/dbraw/zinc/70/35/84/766703584.db2.gz GPCZCMVEWSIJNF-TZMCWYRMSA-N 1 1 332.408 0.010 20 30 ECEDMO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089624684 766703587 /nfs/dbraw/zinc/70/35/87/766703587.db2.gz GPCZCMVEWSIJNF-TZMCWYRMSA-N 1 1 332.408 0.010 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3nn(C)cc3Cl)CC2)C1 ZINC001046032325 766704875 /nfs/dbraw/zinc/70/48/75/766704875.db2.gz AQCSUPPLJYCEKM-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cnccc2C)C1 ZINC000994754556 766706941 /nfs/dbraw/zinc/70/69/41/766706941.db2.gz MNNZGGRNBAVEAM-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cnccc2C)C1 ZINC000994754556 766706948 /nfs/dbraw/zinc/70/69/48/766706948.db2.gz MNNZGGRNBAVEAM-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2ccccn2)C1 ZINC000994753505 766710720 /nfs/dbraw/zinc/71/07/20/766710720.db2.gz HHWMOCZSDFLIHL-KRWDZBQOSA-N 1 1 340.427 0.439 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2ccccn2)C1 ZINC000994753505 766710726 /nfs/dbraw/zinc/71/07/26/766710726.db2.gz HHWMOCZSDFLIHL-KRWDZBQOSA-N 1 1 340.427 0.439 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)Cc2ccco2)C1 ZINC000994753532 766710897 /nfs/dbraw/zinc/71/08/97/766710897.db2.gz HYYGVCQOORLNMB-PBHICJAKSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)Cc2ccco2)C1 ZINC000994753532 766710899 /nfs/dbraw/zinc/71/08/99/766710899.db2.gz HYYGVCQOORLNMB-PBHICJAKSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nn(C)cc3Cl)CC2)C1 ZINC001046034272 766714951 /nfs/dbraw/zinc/71/49/51/766714951.db2.gz QYEMWDCAQYRRNJ-ZDUSSCGKSA-N 1 1 335.839 0.539 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046035137 766718079 /nfs/dbraw/zinc/71/80/79/766718079.db2.gz FMZQWFJSZBLSNY-ZWKOTPCHSA-N 1 1 347.507 0.991 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 ZINC001046035157 766719769 /nfs/dbraw/zinc/71/97/69/766719769.db2.gz FTICZMXKFPRTCP-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 ZINC001046035873 766723006 /nfs/dbraw/zinc/72/30/06/766723006.db2.gz VAQGXOMSABLBFD-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4ncccc34)CC2)C1 ZINC001046036241 766725212 /nfs/dbraw/zinc/72/52/12/766725212.db2.gz DNHCWRIJPIYUPF-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1 ZINC001046036526 766726664 /nfs/dbraw/zinc/72/66/64/766726664.db2.gz ASQUTEKRYCZRCV-ARFHVFGLSA-N 1 1 329.448 0.918 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046036526 766726671 /nfs/dbraw/zinc/72/66/71/766726671.db2.gz ASQUTEKRYCZRCV-ARFHVFGLSA-N 1 1 329.448 0.918 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046036526 766726680 /nfs/dbraw/zinc/72/66/80/766726680.db2.gz ASQUTEKRYCZRCV-ARFHVFGLSA-N 1 1 329.448 0.918 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC001046036473 766727399 /nfs/dbraw/zinc/72/73/99/766727399.db2.gz LAODSRAFPUMUOG-LPHOPBHVSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncc(C)cc3OC)CC2)C1 ZINC001046036433 766727523 /nfs/dbraw/zinc/72/75/23/766727523.db2.gz JUWOZGLRIMFNIS-MRXNPFEDSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2conc2C2CC2)C1 ZINC000994756780 766730473 /nfs/dbraw/zinc/73/04/73/766730473.db2.gz YSIWQKAFVMQOOG-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2conc2C2CC2)C1 ZINC000994756780 766730479 /nfs/dbraw/zinc/73/04/79/766730479.db2.gz YSIWQKAFVMQOOG-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1OC ZINC001212264465 766744296 /nfs/dbraw/zinc/74/42/96/766744296.db2.gz JQSGODFFVQGNAU-GVDBMIGSSA-N 1 1 340.464 0.903 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]nc3CC)CC2)C1 ZINC001046040269 766746355 /nfs/dbraw/zinc/74/63/55/766746355.db2.gz AOYYFHLVRHQWNH-HNNXBMFYSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc4ncnn43)CC2)C1 ZINC001046041348 766751064 /nfs/dbraw/zinc/75/10/64/766751064.db2.gz HHODAPINJSMBRW-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cccnc3)CC2)C1 ZINC001046041368 766751551 /nfs/dbraw/zinc/75/15/51/766751551.db2.gz HNYKCRFQGCHTNU-SFHVURJKSA-N 1 1 326.444 0.866 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC001046042049 766755250 /nfs/dbraw/zinc/75/52/50/766755250.db2.gz RCFDDFUZAHTODM-ZWKOTPCHSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)C1 ZINC001046042533 766756486 /nfs/dbraw/zinc/75/64/86/766756486.db2.gz IXEPPWVNQMXBNQ-QGZVFWFLSA-N 1 1 341.459 0.613 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCNC3=O)CC2)C1 ZINC001046042777 766757545 /nfs/dbraw/zinc/75/75/45/766757545.db2.gz MPLBVCIYACNLJZ-MRXNPFEDSA-N 1 1 349.479 0.196 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)C1 ZINC001046042824 766757710 /nfs/dbraw/zinc/75/77/10/766757710.db2.gz NMYMOVIHBHSENO-HNNXBMFYSA-N 1 1 341.459 0.754 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001046048962 766781686 /nfs/dbraw/zinc/78/16/86/766781686.db2.gz GYLFJZDGVLSJPF-LSDHHAIUSA-N 1 1 336.480 0.681 20 30 ECEDMO C#CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC001016715606 766784550 /nfs/dbraw/zinc/78/45/50/766784550.db2.gz POPYJDPPZFUNNR-MRXNPFEDSA-N 1 1 344.459 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](C[C@H](C)O)C3)CC2)cc1 ZINC001046051258 766790159 /nfs/dbraw/zinc/79/01/59/766790159.db2.gz ZXPZXLFDKTZXQA-QFBILLFUSA-N 1 1 341.455 0.881 20 30 ECEDMO CC[C@H](C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C#N)[nH]1)CO2)OC ZINC001053774044 766806841 /nfs/dbraw/zinc/80/68/41/766806841.db2.gz QOACBJCYEBACSC-UONOGXRCSA-N 1 1 332.404 0.884 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056863 766813878 /nfs/dbraw/zinc/81/38/78/766813878.db2.gz VKDBJPJTBFTZGO-ROUUACIJSA-N 1 1 347.507 0.850 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC001046057354 766814665 /nfs/dbraw/zinc/81/46/65/766814665.db2.gz YPSVBYUDJRFETF-CQSZACIVSA-N 1 1 331.420 0.509 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)c[nH]1 ZINC001053778921 766817398 /nfs/dbraw/zinc/81/73/98/766817398.db2.gz KOUKITHLOKTTJX-DOMZBBRYSA-N 1 1 330.388 0.496 20 30 ECEDMO C=C1CCC(C(=O)N2CCN([C@@H]3CC[N@H+]([C@@H](C)C(N)=O)C3)CC2)CC1 ZINC001046058118 766817492 /nfs/dbraw/zinc/81/74/92/766817492.db2.gz COCGRBCIOLGEAH-DOTOQJQBSA-N 1 1 348.491 0.825 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC001046059845 766824463 /nfs/dbraw/zinc/82/44/63/766824463.db2.gz QDYCNAZSHCFKMC-OAHLLOKOSA-N 1 1 346.431 0.787 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(F)F)n[nH]3)CC2)C1 ZINC001046060474 766826538 /nfs/dbraw/zinc/82/65/38/766826538.db2.gz AJTHOPLKTNUCIX-GFCCVEGCSA-N 1 1 337.374 0.813 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001016751566 766845218 /nfs/dbraw/zinc/84/52/18/766845218.db2.gz JHTHXQDBUKMPBL-UHFFFAOYSA-N 1 1 340.387 0.811 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC001046067132 766856630 /nfs/dbraw/zinc/85/66/30/766856630.db2.gz SUNGTPYGPAWLRI-INIZCTEOSA-N 1 1 349.866 0.778 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)CC2)C1 ZINC001046069597 766870107 /nfs/dbraw/zinc/87/01/07/766870107.db2.gz IKXHDTOLGXXVIC-SQNIBIBYSA-N 1 1 331.460 0.819 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC001046074178 766889994 /nfs/dbraw/zinc/88/99/94/766889994.db2.gz UTJVJPHCKWBXLX-INIZCTEOSA-N 1 1 347.467 0.248 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CC)nn3)CC2)C1 ZINC001046074831 766892991 /nfs/dbraw/zinc/89/29/91/766892991.db2.gz IDCRGSCZZNQWQA-HNNXBMFYSA-N 1 1 332.452 0.706 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc(OC)n3)CC2)C1 ZINC001046074974 766893444 /nfs/dbraw/zinc/89/34/44/766893444.db2.gz LTLIUWHQYYWQKB-HNNXBMFYSA-N 1 1 328.416 0.556 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCCN(C)C3=O)CC2)C1 ZINC001046075913 766899904 /nfs/dbraw/zinc/89/99/04/766899904.db2.gz IDQDWDVRCVUULS-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC001046076263 766902612 /nfs/dbraw/zinc/90/26/12/766902612.db2.gz DITFGLVYLRKXOC-MJGOQNOKSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc(OC)n3)CC2)C1 ZINC001046076551 766903669 /nfs/dbraw/zinc/90/36/69/766903669.db2.gz FNUSYRUNDXVZPO-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c4c(nn3C)CCC4)CC2)C1 ZINC001046076651 766904196 /nfs/dbraw/zinc/90/41/96/766904196.db2.gz OEAYHWDLZZUKFE-HNNXBMFYSA-N 1 1 343.475 0.927 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC001046078275 766910671 /nfs/dbraw/zinc/91/06/71/766910671.db2.gz WHLVHCBIKOJSRT-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC001046078565 766911974 /nfs/dbraw/zinc/91/19/74/766911974.db2.gz ZOBYJXTWBWRCAY-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(Cl)CN1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081659 766919992 /nfs/dbraw/zinc/91/99/92/766919992.db2.gz HSRAJHRRJDHBDO-CVEARBPZSA-N 1 1 340.899 0.909 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)N3CCCCC3=O)CC2)C1 ZINC001046084877 766925993 /nfs/dbraw/zinc/92/59/93/766925993.db2.gz BYBFLNQWRUOBBN-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc(C(N)=O)n3)CC2)C1 ZINC001046085109 766926392 /nfs/dbraw/zinc/92/63/92/766926392.db2.gz LDPRBWAVGZOELC-AWEZNQCLSA-N 1 1 343.431 0.199 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)N3CCCCC3=O)CC2)C1 ZINC001046086433 766928595 /nfs/dbraw/zinc/92/85/95/766928595.db2.gz NVMSRFQCFDVYJF-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C3CCOCC3)CC2)C1 ZINC001046089614 766930979 /nfs/dbraw/zinc/93/09/79/766930979.db2.gz HRTKUCYTWZLISP-SJLPKXTDSA-N 1 1 333.476 0.901 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cc(C3CC3)nn1)CO2 ZINC001053824769 766947754 /nfs/dbraw/zinc/94/77/54/766947754.db2.gz CYCNHKDSBBBXTK-CQSZACIVSA-N 1 1 331.420 0.691 20 30 ECEDMO N#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CO2 ZINC001053827399 766955943 /nfs/dbraw/zinc/95/59/43/766955943.db2.gz YJTYOZQNXJBTSF-ZBFHGGJFSA-N 1 1 348.447 0.113 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CO2 ZINC001053828693 766959089 /nfs/dbraw/zinc/95/90/89/766959089.db2.gz XTIKEUCXZSDVGD-IAGOWNOFSA-N 1 1 333.476 0.947 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C(C)C)C2)CCC1 ZINC001046126909 766959310 /nfs/dbraw/zinc/95/93/10/766959310.db2.gz OTVQDQGJFWINII-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nncn2C)C1 ZINC001031741190 766988099 /nfs/dbraw/zinc/98/80/99/766988099.db2.gz REPPDLRRQWXNJW-HIFRSBDPSA-N 1 1 330.436 0.022 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nncn2C)C1 ZINC001031741190 766988107 /nfs/dbraw/zinc/98/81/07/766988107.db2.gz REPPDLRRQWXNJW-HIFRSBDPSA-N 1 1 330.436 0.022 20 30 ECEDMO CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001031740344 766990287 /nfs/dbraw/zinc/99/02/87/766990287.db2.gz ZOYMJNMJNXEXBT-SJORKVTESA-N 1 1 330.432 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccc(OC)nn2)C1 ZINC001031741449 766991225 /nfs/dbraw/zinc/99/12/25/766991225.db2.gz ZCLHIBCWPKWLOO-INIZCTEOSA-N 1 1 343.431 0.131 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccc(OC)nn2)C1 ZINC001031741449 766991232 /nfs/dbraw/zinc/99/12/32/766991232.db2.gz ZCLHIBCWPKWLOO-INIZCTEOSA-N 1 1 343.431 0.131 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn3cccnc3n1)CO2 ZINC001053857822 767043782 /nfs/dbraw/zinc/04/37/82/767043782.db2.gz PFXLUNJPVAKYOA-CYBMUJFWSA-N 1 1 327.388 0.879 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046198224 767049892 /nfs/dbraw/zinc/04/98/92/767049892.db2.gz UAEBKFYXGQBDAY-CRAIPNDOSA-N 1 1 326.400 0.917 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3nccnc3N)C2)C1=O ZINC001046204296 767058521 /nfs/dbraw/zinc/05/85/21/767058521.db2.gz MMQJGFITADLYQD-SJCJKPOMSA-N 1 1 344.419 0.040 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3nccnc3N)C2)C1=O ZINC001046204296 767058526 /nfs/dbraw/zinc/05/85/26/767058526.db2.gz MMQJGFITADLYQD-SJCJKPOMSA-N 1 1 344.419 0.040 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@]2(C)CCCS2(=O)=O)CC1 ZINC001016874059 767074050 /nfs/dbraw/zinc/07/40/50/767074050.db2.gz SSIORIFGLOHGKZ-HOCLYGCPSA-N 1 1 338.473 0.948 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn(CCOC)n1)CO2 ZINC001053867957 767079063 /nfs/dbraw/zinc/07/90/63/767079063.db2.gz YKAZMXZIERRBOL-AWEZNQCLSA-N 1 1 334.420 0.679 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nncn3CC1)CO2 ZINC001053873956 767100165 /nfs/dbraw/zinc/10/01/65/767100165.db2.gz OGJDIVRFDBENMM-HUUCEWRRSA-N 1 1 345.447 0.766 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1 ZINC000068445660 767103080 /nfs/dbraw/zinc/10/30/80/767103080.db2.gz GBRCHNOBKHCIPM-UHFFFAOYSA-N 1 1 346.456 0.980 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046247379 767106613 /nfs/dbraw/zinc/10/66/13/767106613.db2.gz DVCAOPWJWUVABN-UYAOXDASSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046247379 767106615 /nfs/dbraw/zinc/10/66/15/767106615.db2.gz DVCAOPWJWUVABN-UYAOXDASSA-N 1 1 341.455 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC000938755968 767106707 /nfs/dbraw/zinc/10/67/07/767106707.db2.gz DEODEGFDLTYWGI-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC000938755968 767106708 /nfs/dbraw/zinc/10/67/08/767106708.db2.gz DEODEGFDLTYWGI-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001046249605 767109027 /nfs/dbraw/zinc/10/90/27/767109027.db2.gz YXNIPKZUAVFMPS-CXAGYDPISA-N 1 1 339.403 0.860 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001089710159 767112325 /nfs/dbraw/zinc/11/23/25/767112325.db2.gz CPYUSRLVLUDTCN-AWEZNQCLSA-N 1 1 333.432 0.669 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001089709771 767112349 /nfs/dbraw/zinc/11/23/49/767112349.db2.gz XVVHJUWQWFGGRC-UONOGXRCSA-N 1 1 341.477 0.260 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001089709771 767112350 /nfs/dbraw/zinc/11/23/50/767112350.db2.gz XVVHJUWQWFGGRC-UONOGXRCSA-N 1 1 341.477 0.260 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001089709739 767112385 /nfs/dbraw/zinc/11/23/85/767112385.db2.gz WTKVXWCICUCQHW-YNAXMUEKSA-N 1 1 346.431 0.215 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000938828465 767127076 /nfs/dbraw/zinc/12/70/76/767127076.db2.gz QEXBTXCLJNRVEF-AWEZNQCLSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001089726124 767132539 /nfs/dbraw/zinc/13/25/39/767132539.db2.gz NFVSLZOCTHFXGE-NSHDSACASA-N 1 1 348.403 0.750 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnnn3CC)C2)C1=O ZINC001046297440 767134154 /nfs/dbraw/zinc/13/41/54/767134154.db2.gz BVSYSAPZEHJFHX-GUYCJALGSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cnnn3CC)C2)C1=O ZINC001046297440 767134155 /nfs/dbraw/zinc/13/41/55/767134155.db2.gz BVSYSAPZEHJFHX-GUYCJALGSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001046309066 767139808 /nfs/dbraw/zinc/13/98/08/767139808.db2.gz KMFXMNMPWIZYNP-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001046309066 767139810 /nfs/dbraw/zinc/13/98/10/767139810.db2.gz KMFXMNMPWIZYNP-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001046312021 767141186 /nfs/dbraw/zinc/14/11/86/767141186.db2.gz OPJMWBSAWNFZMR-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(=O)[nH]n1 ZINC001089765338 767148029 /nfs/dbraw/zinc/14/80/29/767148029.db2.gz DADCNYSMVJZPAU-FQLMCAECSA-N 1 1 326.400 0.988 20 30 ECEDMO C=CCOCCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293524 767173924 /nfs/dbraw/zinc/17/39/24/767173924.db2.gz VOTCHLLTVZLQSA-GVDBMIGSSA-N 1 1 337.464 0.346 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C)c1C ZINC001089788207 767180703 /nfs/dbraw/zinc/18/07/03/767180703.db2.gz JLASQLIXRDNRNJ-JJXSEGSLSA-N 1 1 327.432 0.929 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C#N)c[nH]1 ZINC001089790202 767186375 /nfs/dbraw/zinc/18/63/75/767186375.db2.gz QUMYZHVFLVGRQC-AYDFFVQHSA-N 1 1 341.415 0.415 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001046400686 767197037 /nfs/dbraw/zinc/19/70/37/767197037.db2.gz UFFVDICXMROBDC-CXAGYDPISA-N 1 1 345.403 0.163 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@H](OC)C1 ZINC001212313098 767204011 /nfs/dbraw/zinc/20/40/11/767204011.db2.gz FKVBPTKRRCQLPT-HUUCEWRRSA-N 1 1 335.404 0.791 20 30 ECEDMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805877 767234040 /nfs/dbraw/zinc/23/40/40/767234040.db2.gz LZCODRGMSIRYMZ-OWLYRPNTSA-N 1 1 339.443 0.897 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001127623067 767237379 /nfs/dbraw/zinc/23/73/79/767237379.db2.gz AAKRSPVLRLTDON-UHFFFAOYSA-N 1 1 341.415 0.486 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)CC[N@H+]1C ZINC001106142807 767251072 /nfs/dbraw/zinc/25/10/72/767251072.db2.gz YWSPPLZGAWXDLH-SOUVJXGZSA-N 1 1 331.420 0.573 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001046506048 767268040 /nfs/dbraw/zinc/26/80/40/767268040.db2.gz OAOMGRYYNGHIPL-WMLDXEAASA-N 1 1 331.420 0.912 20 30 ECEDMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC001046545231 767296027 /nfs/dbraw/zinc/29/60/27/767296027.db2.gz YNVVELCXPFHLKE-INIZCTEOSA-N 1 1 325.376 0.476 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)CCC(=O)NC1)CO2 ZINC001053902412 767304478 /nfs/dbraw/zinc/30/44/78/767304478.db2.gz CDBNATLAIYJMBR-RHSMWYFYSA-N 1 1 335.448 0.828 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc2n[nH]nc2c1 ZINC001089819489 767306929 /nfs/dbraw/zinc/30/69/29/767306929.db2.gz GZHKCQNFQMYUII-ZIEJDFEHSA-N 1 1 336.399 0.769 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ncccn2)C1 ZINC001016920047 767309865 /nfs/dbraw/zinc/30/98/65/767309865.db2.gz RXKXCZNMWSQARZ-NRXISQOPSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ncccn2)C1 ZINC001016920047 767309869 /nfs/dbraw/zinc/30/98/69/767309869.db2.gz RXKXCZNMWSQARZ-NRXISQOPSA-N 1 1 341.415 0.293 20 30 ECEDMO C=CCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053904398 767312615 /nfs/dbraw/zinc/31/26/15/767312615.db2.gz NBDCWHPXBRKTBU-HOTGVXAUSA-N 1 1 337.464 0.631 20 30 ECEDMO C=CCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053904398 767312619 /nfs/dbraw/zinc/31/26/19/767312619.db2.gz NBDCWHPXBRKTBU-HOTGVXAUSA-N 1 1 337.464 0.631 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccoc1CC(N)=O)CO2 ZINC001053905496 767317575 /nfs/dbraw/zinc/31/75/75/767317575.db2.gz ILUFFJIVAWSMBX-ZDUSSCGKSA-N 1 1 347.415 0.847 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn[nH]c(=O)c1 ZINC001089823284 767339676 /nfs/dbraw/zinc/33/96/76/767339676.db2.gz FHCIIIDIFVUMNZ-UKMLZYKCSA-N 1 1 326.400 0.988 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046589472 767341441 /nfs/dbraw/zinc/34/14/41/767341441.db2.gz VTRZBCYTYYVIIC-YOEHRIQHSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046589472 767341444 /nfs/dbraw/zinc/34/14/44/767341444.db2.gz VTRZBCYTYYVIIC-YOEHRIQHSA-N 1 1 345.378 0.459 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC001089826323 767349040 /nfs/dbraw/zinc/34/90/40/767349040.db2.gz GNASNBLTBAORDS-JJXSEGSLSA-N 1 1 345.447 0.327 20 30 ECEDMO C#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924586 767373411 /nfs/dbraw/zinc/37/34/11/767373411.db2.gz XWIJIBOQNPSSMT-CABCVRRESA-N 1 1 328.416 0.347 20 30 ECEDMO C=CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924456 767373561 /nfs/dbraw/zinc/37/35/61/767373561.db2.gz UEKAXQYQTFAZCI-HUUCEWRRSA-N 1 1 330.432 0.899 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046628736 767394535 /nfs/dbraw/zinc/39/45/35/767394535.db2.gz PCNRSVAHCFTWSG-GLJUWKHASA-N 1 1 344.390 0.899 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046628736 767394548 /nfs/dbraw/zinc/39/45/48/767394548.db2.gz PCNRSVAHCFTWSG-GLJUWKHASA-N 1 1 344.390 0.899 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC001089832045 767395389 /nfs/dbraw/zinc/39/53/89/767395389.db2.gz RFAUZDBCJBVZKQ-FZKCQIBNSA-N 1 1 330.432 0.204 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCCC2=CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001089832553 767397919 /nfs/dbraw/zinc/39/79/19/767397919.db2.gz YLVXVXIYHPTDRQ-OAHLLOKOSA-N 1 1 340.431 0.943 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001046630993 767401942 /nfs/dbraw/zinc/40/19/42/767401942.db2.gz BJHLEJVWTRYJOR-RVKKMQEKSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001046630993 767401946 /nfs/dbraw/zinc/40/19/46/767401946.db2.gz BJHLEJVWTRYJOR-RVKKMQEKSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1cccc(F)c1C#N ZINC001106154328 767405678 /nfs/dbraw/zinc/40/56/78/767405678.db2.gz IAQGEPSMVMIJHU-DYVFJYSZSA-N 1 1 344.390 0.684 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1cccc(F)c1C#N ZINC001106154328 767405684 /nfs/dbraw/zinc/40/56/84/767405684.db2.gz IAQGEPSMVMIJHU-DYVFJYSZSA-N 1 1 344.390 0.684 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106157343 767420200 /nfs/dbraw/zinc/42/02/00/767420200.db2.gz CUKGRUCQRPHOJU-KGLIPLIRSA-N 1 1 349.410 0.856 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1nnnc1C(C)C)CO2 ZINC001053949342 767431978 /nfs/dbraw/zinc/43/19/78/767431978.db2.gz DWKLXSWPXAXEFL-AWEZNQCLSA-N 1 1 348.451 0.722 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001106170934 767482792 /nfs/dbraw/zinc/48/27/92/767482792.db2.gz ZCHMAQWFCTYTQI-LSDHHAIUSA-N 1 1 346.435 0.358 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046690190 767487133 /nfs/dbraw/zinc/48/71/33/767487133.db2.gz BDLAQIPPNJMKFN-HZPDHXFCSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046691441 767489665 /nfs/dbraw/zinc/48/96/65/767489665.db2.gz IVXLOGISHYATSV-GDBMZVCRSA-N 1 1 349.475 0.642 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001017038544 767494299 /nfs/dbraw/zinc/49/42/99/767494299.db2.gz KFEYMPQMNNZAAS-LRVUVFPRSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)CCN(C(C)=O)C1)CO2 ZINC001053977239 767511820 /nfs/dbraw/zinc/51/18/20/767511820.db2.gz PSEJNXWKEKTYHN-RDJZCZTQSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)C1=O ZINC001017051660 767519499 /nfs/dbraw/zinc/51/94/99/767519499.db2.gz GUHZEGAJGRELOG-HOCLYGCPSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001017051660 767519504 /nfs/dbraw/zinc/51/95/04/767519504.db2.gz GUHZEGAJGRELOG-HOCLYGCPSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001017051660 767519506 /nfs/dbraw/zinc/51/95/06/767519506.db2.gz GUHZEGAJGRELOG-HOCLYGCPSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCCCC(=O)N1)CO2 ZINC001053992850 767546337 /nfs/dbraw/zinc/54/63/37/767546337.db2.gz BMCHLXHYMKUVAD-HUUCEWRRSA-N 1 1 335.448 0.971 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001046735602 767560104 /nfs/dbraw/zinc/56/01/04/767560104.db2.gz QTILAXBZJYFABC-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001046735602 767560108 /nfs/dbraw/zinc/56/01/08/767560108.db2.gz QTILAXBZJYFABC-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO Cn1cc(C[N@H+](C)C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001017093043 767574919 /nfs/dbraw/zinc/57/49/19/767574919.db2.gz LQQWIWANNICIAY-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001017093043 767574924 /nfs/dbraw/zinc/57/49/24/767574924.db2.gz LQQWIWANNICIAY-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)cc1)CO2 ZINC001054006130 767575642 /nfs/dbraw/zinc/57/56/42/767575642.db2.gz SVRUWAXHMCGJAT-OAHLLOKOSA-N 1 1 329.400 0.935 20 30 ECEDMO Cc1nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001046752768 767589152 /nfs/dbraw/zinc/58/91/52/767589152.db2.gz KUSQHLOEULPYHX-BPUTZDHNSA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001046752768 767589155 /nfs/dbraw/zinc/58/91/55/767589155.db2.gz KUSQHLOEULPYHX-BPUTZDHNSA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001046752681 767589864 /nfs/dbraw/zinc/58/98/64/767589864.db2.gz HHXICTRJMJLOOX-QRTARXTBSA-N 1 1 343.431 0.321 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001046752681 767589869 /nfs/dbraw/zinc/58/98/69/767589869.db2.gz HHXICTRJMJLOOX-QRTARXTBSA-N 1 1 343.431 0.321 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054049161 767648869 /nfs/dbraw/zinc/64/88/69/767648869.db2.gz RPMHMSOYQSHIFH-IAGOWNOFSA-N 1 1 340.427 0.576 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001054052025 767651148 /nfs/dbraw/zinc/65/11/48/767651148.db2.gz NGYBSCIQKAICTP-HOTGVXAUSA-N 1 1 326.400 0.234 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](Cn1cccn1)N(C)C)C2 ZINC001054144716 767740288 /nfs/dbraw/zinc/74/02/88/767740288.db2.gz CNDIWGKDSGDNOC-HKUYNNGSSA-N 1 1 343.475 0.761 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC3N=NC(=O)N3C1)C2 ZINC001054155651 767751513 /nfs/dbraw/zinc/75/15/13/767751513.db2.gz WIKXALXCSBEKMS-KSSFIOAISA-N 1 1 343.431 0.494 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001054160274 767757370 /nfs/dbraw/zinc/75/73/70/767757370.db2.gz AVQSZBWSLXBLKV-GOSISDBHSA-N 1 1 344.415 0.287 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001042042286 782659152 /nfs/dbraw/zinc/65/91/52/782659152.db2.gz DMQXFKBDJULICL-IRXDYDNUSA-N 1 1 329.444 0.945 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001054213716 767810905 /nfs/dbraw/zinc/81/09/05/767810905.db2.gz JDEIFGCLHVXTAW-SFHVURJKSA-N 1 1 333.432 0.930 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001054225378 767830768 /nfs/dbraw/zinc/83/07/68/767830768.db2.gz VXZQZYMEZJXFAV-SFHVURJKSA-N 1 1 348.447 0.819 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001054236228 767845983 /nfs/dbraw/zinc/84/59/83/767845983.db2.gz GZDINHDJWSCWTE-GOSISDBHSA-N 1 1 348.447 0.771 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 ZINC001111535524 768442505 /nfs/dbraw/zinc/44/25/05/768442505.db2.gz PEUJNFRDQHXWDZ-LBPRGKRZSA-N 1 1 344.843 0.489 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N(C)CCOCCNc1ccncc1C#N ZINC001127368617 768561963 /nfs/dbraw/zinc/56/19/63/768561963.db2.gz DIPBZUZOTCQWET-UHFFFAOYSA-N 1 1 333.436 0.604 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 ZINC001055147256 768607742 /nfs/dbraw/zinc/60/77/42/768607742.db2.gz LCYXDFAXYLJIPL-ILXRZTDVSA-N 1 1 337.387 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCC=C)C[C@H]2C1 ZINC001055238292 768694506 /nfs/dbraw/zinc/69/45/06/768694506.db2.gz BWHAUQCWPVEYMP-BBWFWOEESA-N 1 1 329.444 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCC=C)C[C@H]2C1 ZINC001055238292 768694511 /nfs/dbraw/zinc/69/45/11/768694511.db2.gz BWHAUQCWPVEYMP-BBWFWOEESA-N 1 1 329.444 0.967 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001055238741 768694976 /nfs/dbraw/zinc/69/49/76/768694976.db2.gz TZBARJAOJMGBRT-LVQVYYBASA-N 1 1 335.448 0.589 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001055238741 768694983 /nfs/dbraw/zinc/69/49/83/768694983.db2.gz TZBARJAOJMGBRT-LVQVYYBASA-N 1 1 335.448 0.589 20 30 ECEDMO CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001106710104 768697292 /nfs/dbraw/zinc/69/72/92/768697292.db2.gz WBEITMRUQSCXOJ-AWEZNQCLSA-N 1 1 332.408 0.248 20 30 ECEDMO CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001106710104 768697297 /nfs/dbraw/zinc/69/72/97/768697297.db2.gz WBEITMRUQSCXOJ-AWEZNQCLSA-N 1 1 332.408 0.248 20 30 ECEDMO Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C3)n1 ZINC001055295067 768749433 /nfs/dbraw/zinc/74/94/33/768749433.db2.gz SZQYVRPBITUKIO-WCVJEAGWSA-N 1 1 340.431 0.977 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001055305572 768762961 /nfs/dbraw/zinc/76/29/61/768762961.db2.gz OGULBFALGSDGSZ-RCJHGTSTSA-N 1 1 349.475 0.715 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001055337496 768792852 /nfs/dbraw/zinc/79/28/52/768792852.db2.gz GXLMUOKICUSKQP-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001055381027 768839075 /nfs/dbraw/zinc/83/90/75/768839075.db2.gz PPBKWSKXOVQVHN-NXOAAHMSSA-N 1 1 349.475 0.979 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N ZINC001055416233 768876746 /nfs/dbraw/zinc/87/67/46/768876746.db2.gz QRMCJWZEDLXOMI-NFAWXSAZSA-N 1 1 337.387 0.779 20 30 ECEDMO CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001106772992 768912602 /nfs/dbraw/zinc/91/26/02/768912602.db2.gz DKNLXCIXNDBKNT-QGZVFWFLSA-N 1 1 345.447 0.665 20 30 ECEDMO CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001106772992 768912609 /nfs/dbraw/zinc/91/26/09/768912609.db2.gz DKNLXCIXNDBKNT-QGZVFWFLSA-N 1 1 345.447 0.665 20 30 ECEDMO C#CCN1CC[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]21 ZINC001042065428 782706907 /nfs/dbraw/zinc/70/69/07/782706907.db2.gz STUQSBQJNBRJCL-WBVHZDCISA-N 1 1 329.448 0.614 20 30 ECEDMO CC1(C)C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001089354533 769050547 /nfs/dbraw/zinc/05/05/47/769050547.db2.gz ISHOSQVZHAHUHI-DZGCQCFKSA-N 1 1 343.431 0.995 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC(C)(C)C1 ZINC001089354854 769074750 /nfs/dbraw/zinc/07/47/50/769074750.db2.gz LRDYSSXEQHROHX-ZDUSSCGKSA-N 1 1 331.420 0.853 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001018309167 769075125 /nfs/dbraw/zinc/07/51/25/769075125.db2.gz XHIPEOMXFOYOMH-OKILXGFUSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2cnnn2C)CC1 ZINC001055569433 769139907 /nfs/dbraw/zinc/13/99/07/769139907.db2.gz WCDJUCRFVVCIAH-UHFFFAOYSA-N 1 1 334.424 0.092 20 30 ECEDMO Cn1ccc(C(=O)NCC[NH+]2CCC(NC(=O)C#CC3CC3)CC2)n1 ZINC001055578894 769176388 /nfs/dbraw/zinc/17/63/88/769176388.db2.gz ZDEOGAXMMXLJAC-UHFFFAOYSA-N 1 1 343.431 0.144 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H](CC)OC)C2)CC1 ZINC001018357016 769179103 /nfs/dbraw/zinc/17/91/03/769179103.db2.gz ZTZNSGSGCKAPLR-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cnco3)C2)CC1 ZINC001018371768 769230250 /nfs/dbraw/zinc/23/02/50/769230250.db2.gz ZGKSIICPTICGAL-OAHLLOKOSA-N 1 1 344.415 0.694 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055622213 769277676 /nfs/dbraw/zinc/27/76/76/769277676.db2.gz XCUNEHFOFYTYLC-ZDUSSCGKSA-N 1 1 348.451 0.717 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055622212 769277716 /nfs/dbraw/zinc/27/77/16/769277716.db2.gz XCUNEHFOFYTYLC-CYBMUJFWSA-N 1 1 348.451 0.717 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2ncccn2)CC1 ZINC001055623366 769283532 /nfs/dbraw/zinc/28/35/32/769283532.db2.gz DTDPMHHDYZTANZ-UHFFFAOYSA-N 1 1 331.420 0.753 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H]1C ZINC000993619671 769371548 /nfs/dbraw/zinc/37/15/48/769371548.db2.gz HLPRHLFWWIHRDQ-ZFWWWQNUSA-N 1 1 339.403 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@@H]1C ZINC000993802715 769642867 /nfs/dbraw/zinc/64/28/67/769642867.db2.gz HNUAIQVDGRIJMV-KBPBESRZSA-N 1 1 330.432 0.739 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC001078358343 782768913 /nfs/dbraw/zinc/76/89/13/782768913.db2.gz ODQDDIRPJCKFAT-UONOGXRCSA-N 1 1 348.451 0.900 20 30 ECEDMO CN1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001018663519 769732202 /nfs/dbraw/zinc/73/22/02/769732202.db2.gz FHPCIIBFFFJDLP-DLBZAZTESA-N 1 1 346.406 0.718 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042104521 782777550 /nfs/dbraw/zinc/77/75/50/782777550.db2.gz PWMAMPLSAOBCLC-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)[C@H]2C)nn1 ZINC000993955785 769886926 /nfs/dbraw/zinc/88/69/26/769886926.db2.gz XIWUJJQBASUQQN-KBPBESRZSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@H]2C)nn1 ZINC000993955785 769886936 /nfs/dbraw/zinc/88/69/36/769886936.db2.gz XIWUJJQBASUQQN-KBPBESRZSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cnn(C)c3)[C@@H]2C)nn1 ZINC000993941158 769915594 /nfs/dbraw/zinc/91/55/94/769915594.db2.gz ACCJSFCJOSTIAM-HIFRSBDPSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnn(C)c3)[C@@H]2C)nn1 ZINC000993941158 769915603 /nfs/dbraw/zinc/91/56/03/769915603.db2.gz ACCJSFCJOSTIAM-HIFRSBDPSA-N 1 1 343.435 0.981 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC000993980835 769957338 /nfs/dbraw/zinc/95/73/38/769957338.db2.gz CBNSKFLDRGBHEP-HUUCEWRRSA-N 1 1 348.451 0.724 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H]1C ZINC000994003389 769992172 /nfs/dbraw/zinc/99/21/72/769992172.db2.gz GOIIDLGFQUJAFX-DZGCQCFKSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@@H]1C ZINC000994089079 770116985 /nfs/dbraw/zinc/11/69/85/770116985.db2.gz DNPURKWTQWLTLX-JSGCOSHPSA-N 1 1 332.404 0.731 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001055909643 770175624 /nfs/dbraw/zinc/17/56/24/770175624.db2.gz BMCBLRSYPSVKRA-GOSISDBHSA-N 1 1 346.431 0.465 20 30 ECEDMO N#Cc1nccnc1N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001055912894 770191154 /nfs/dbraw/zinc/19/11/54/770191154.db2.gz UKRPXLWRBQHRRB-HUUCEWRRSA-N 1 1 340.431 0.871 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001055934698 770277537 /nfs/dbraw/zinc/27/75/37/770277537.db2.gz HKCDTCPNZRPRCG-LPHOPBHVSA-N 1 1 349.475 0.600 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@H]1C ZINC001106847649 770305516 /nfs/dbraw/zinc/30/55/16/770305516.db2.gz ZNRTZBHAWBYUNT-OWCLPIDISA-N 1 1 344.459 0.849 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001018948126 770356065 /nfs/dbraw/zinc/35/60/65/770356065.db2.gz JOUFCZNIQOFHPT-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)[C@@H]2C)nc1 ZINC000994252495 770440841 /nfs/dbraw/zinc/44/08/41/770440841.db2.gz LXSGVGPGHVMVAP-ZBFHGGJFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)nc1 ZINC000994252495 770440846 /nfs/dbraw/zinc/44/08/46/770440846.db2.gz LXSGVGPGHVMVAP-ZBFHGGJFSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)CC[N@H+]1C ZINC001055988950 770468664 /nfs/dbraw/zinc/46/86/64/770468664.db2.gz QMCJJKGQTGGZNY-KBPBESRZSA-N 1 1 328.420 0.727 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001055991623 770478919 /nfs/dbraw/zinc/47/89/19/770478919.db2.gz NEECGNFEDALVJJ-CQSZACIVSA-N 1 1 344.419 0.106 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001055991623 770478926 /nfs/dbraw/zinc/47/89/26/770478926.db2.gz NEECGNFEDALVJJ-CQSZACIVSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@@H]21 ZINC001042141164 782842541 /nfs/dbraw/zinc/84/25/41/782842541.db2.gz CAYUIHNBIKQFDE-HOCLYGCPSA-N 1 1 344.415 0.059 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@H]21 ZINC001042141162 782842599 /nfs/dbraw/zinc/84/25/99/782842599.db2.gz CAYUIHNBIKQFDE-GOEBONIOSA-N 1 1 344.415 0.059 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001056019888 770574204 /nfs/dbraw/zinc/57/42/04/770574204.db2.gz PTAAYWYCNPYWOR-CRAIPNDOSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001056038002 770640730 /nfs/dbraw/zinc/64/07/30/770640730.db2.gz BGFGHBVDKUSQMW-OAFZBRQQSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001056038002 770640736 /nfs/dbraw/zinc/64/07/36/770640736.db2.gz BGFGHBVDKUSQMW-OAFZBRQQSA-N 1 1 347.459 0.210 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001056053414 770688054 /nfs/dbraw/zinc/68/80/54/770688054.db2.gz MRXASMFBXPPGPO-UKRRQHHQSA-N 1 1 342.447 0.899 20 30 ECEDMO CC#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001056058116 770701169 /nfs/dbraw/zinc/70/11/69/770701169.db2.gz DOFLWOYPRCSDHO-QFBILLFUSA-N 1 1 349.475 0.744 20 30 ECEDMO CC#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001056058117 770701686 /nfs/dbraw/zinc/70/16/86/770701686.db2.gz DOFLWOYPRCSDHO-VQIMIIECSA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001056068266 770734867 /nfs/dbraw/zinc/73/48/67/770734867.db2.gz UJDNVMLTKPIPNV-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3cc[nH]c3)C2)C1 ZINC001019097255 770777637 /nfs/dbraw/zinc/77/76/37/770777637.db2.gz BLAUTQTUUIWCSD-INIZCTEOSA-N 1 1 340.427 0.787 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3cc[nH]c3)C2)C1 ZINC001019097255 770777643 /nfs/dbraw/zinc/77/76/43/770777643.db2.gz BLAUTQTUUIWCSD-INIZCTEOSA-N 1 1 340.427 0.787 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)n1C ZINC001078398341 782870107 /nfs/dbraw/zinc/87/01/07/782870107.db2.gz MVJINKMNLKEUOD-OAHLLOKOSA-N 1 1 345.447 0.498 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@@H]21 ZINC001042159766 782871853 /nfs/dbraw/zinc/87/18/53/782871853.db2.gz HCLKBDUGFNFZCC-BBRMVZONSA-N 1 1 339.399 0.501 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001056150567 770939703 /nfs/dbraw/zinc/93/97/03/770939703.db2.gz TTXYFVBKVSKSPL-LJISPDSOSA-N 1 1 326.404 0.302 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)CC(C)(C)C1 ZINC001089398586 771044795 /nfs/dbraw/zinc/04/47/95/771044795.db2.gz IOTZVAZOQSXPTR-KBPBESRZSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)C[C@@H]21 ZINC001042173761 782889792 /nfs/dbraw/zinc/88/97/92/782889792.db2.gz TZAMTHWUVYHBKB-HOCLYGCPSA-N 1 1 336.399 0.832 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001056355404 771163997 /nfs/dbraw/zinc/16/39/97/771163997.db2.gz JWVDTBZCDUQLCU-HDEZJCGLSA-N 1 1 325.416 0.988 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001056409607 771240644 /nfs/dbraw/zinc/24/06/44/771240644.db2.gz WTIAQDRPDHUSOD-BZUAXINKSA-N 1 1 335.448 0.733 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001056413652 771245876 /nfs/dbraw/zinc/24/58/76/771245876.db2.gz TUROXJSQJHNQLG-HVOFVXBASA-N 1 1 326.404 0.383 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001019405849 771259965 /nfs/dbraw/zinc/25/99/65/771259965.db2.gz UDZOODPQFJEWRS-ZNMIVQPWSA-N 1 1 345.447 0.974 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001056472843 771311881 /nfs/dbraw/zinc/31/18/81/771311881.db2.gz WZBCXAAKCWALHT-HZPDHXFCSA-N 1 1 346.431 0.986 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)n3CC)C2)nn1 ZINC001019483531 771347994 /nfs/dbraw/zinc/34/79/94/771347994.db2.gz UBRVDEDMJOPVAP-ZDUSSCGKSA-N 1 1 344.423 0.388 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001060732518 771361822 /nfs/dbraw/zinc/36/18/22/771361822.db2.gz LRGDBBBUBNKMEN-VQHPVUNQSA-N 1 1 349.475 0.910 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001019500372 771367866 /nfs/dbraw/zinc/36/78/66/771367866.db2.gz STJLGJSRHKTNNN-NOLJZWGESA-N 1 1 346.435 0.680 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC(C)(C)C1 ZINC001089520574 771393963 /nfs/dbraw/zinc/39/39/63/771393963.db2.gz YBYZDGVVDMQFLN-CQSZACIVSA-N 1 1 333.432 0.669 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1nccnc1F ZINC001127511484 771407478 /nfs/dbraw/zinc/40/74/78/771407478.db2.gz XAHANNZJYWADSJ-AWEZNQCLSA-N 1 1 349.410 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1nccnc1F ZINC001127511484 771407484 /nfs/dbraw/zinc/40/74/84/771407484.db2.gz XAHANNZJYWADSJ-AWEZNQCLSA-N 1 1 349.410 0.600 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCCO1 ZINC001089543006 771431982 /nfs/dbraw/zinc/43/19/82/771431982.db2.gz BSDKNTYATWIBAO-CQSZACIVSA-N 1 1 346.435 0.400 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC(C)(C)C1 ZINC001089552117 771464949 /nfs/dbraw/zinc/46/49/49/771464949.db2.gz MBGUVALBGGGNJZ-HNNXBMFYSA-N 1 1 347.463 0.520 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001019552326 771472469 /nfs/dbraw/zinc/47/24/69/771472469.db2.gz POHWXIXZXOYLOW-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089569108 771530031 /nfs/dbraw/zinc/53/00/31/771530031.db2.gz BLZZDZACIIQLJS-UONOGXRCSA-N 1 1 333.432 0.669 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001019590929 771556421 /nfs/dbraw/zinc/55/64/21/771556421.db2.gz SLKUBUZWFNGNIC-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 ZINC001056796154 771654556 /nfs/dbraw/zinc/65/45/56/771654556.db2.gz BXNWGIDXRCKLHI-NWDGAFQWSA-N 1 1 325.376 0.963 20 30 ECEDMO CN(c1ncc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001056879920 771756897 /nfs/dbraw/zinc/75/68/97/771756897.db2.gz PNRJFHUVDDRDMA-UKRRQHHQSA-N 1 1 347.394 0.460 20 30 ECEDMO CN(c1ncc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001056879920 771756901 /nfs/dbraw/zinc/75/69/01/771756901.db2.gz PNRJFHUVDDRDMA-UKRRQHHQSA-N 1 1 347.394 0.460 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccoc1C ZINC001056928081 771818654 /nfs/dbraw/zinc/81/86/54/771818654.db2.gz ZFCNSQOIGXNLEM-INIZCTEOSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccoc1C ZINC001056928081 771818657 /nfs/dbraw/zinc/81/86/57/771818657.db2.gz ZFCNSQOIGXNLEM-INIZCTEOSA-N 1 1 347.415 0.236 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3ncccc3C#N)C2)C1 ZINC001056928634 771819897 /nfs/dbraw/zinc/81/98/97/771819897.db2.gz MUAIBKMYJDYTDN-CVEARBPZSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3ncccc3C#N)C2)C1 ZINC001056928634 771819899 /nfs/dbraw/zinc/81/98/99/771819899.db2.gz MUAIBKMYJDYTDN-CVEARBPZSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3cnnn3CC)C2)CC1 ZINC001019813338 771828151 /nfs/dbraw/zinc/82/81/51/771828151.db2.gz AZBAFAWJLVUABS-INIZCTEOSA-N 1 1 344.463 0.334 20 30 ECEDMO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056942323 771840592 /nfs/dbraw/zinc/84/05/92/771840592.db2.gz VZQOTIPDJBVHBF-ZFWWWQNUSA-N 1 1 328.420 0.727 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001056942419 771840648 /nfs/dbraw/zinc/84/06/48/771840648.db2.gz XTEZQEHHOLGNEF-ZIAGYGMSSA-N 1 1 328.420 0.727 20 30 ECEDMO CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056942320 771840699 /nfs/dbraw/zinc/84/06/99/771840699.db2.gz VZQOTIPDJBVHBF-DZGCQCFKSA-N 1 1 328.420 0.727 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)c1 ZINC001042233150 782963317 /nfs/dbraw/zinc/96/33/17/782963317.db2.gz PVOAVJNMRHORMO-RDJZCZTQSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCCCC ZINC001056984176 771907443 /nfs/dbraw/zinc/90/74/43/771907443.db2.gz WXIIRXMKRLDVAX-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCCCC ZINC001056984176 771907445 /nfs/dbraw/zinc/90/74/45/771907445.db2.gz WXIIRXMKRLDVAX-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057027321 771963075 /nfs/dbraw/zinc/96/30/75/771963075.db2.gz DTFADWMMZYDCAZ-UONOGXRCSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3nccnc3C#N)C2)C1 ZINC001057029973 771967302 /nfs/dbraw/zinc/96/73/02/771967302.db2.gz WJKUZZRDJOBZBV-KGLIPLIRSA-N 1 1 328.420 0.727 20 30 ECEDMO COCCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001020055211 772113227 /nfs/dbraw/zinc/11/32/27/772113227.db2.gz ITWHZMFAEAVSIL-HAQNSBGRSA-N 1 1 344.375 0.509 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001020192569 772264305 /nfs/dbraw/zinc/26/43/05/772264305.db2.gz RBJOBFNDPXEWJW-WHOFXGATSA-N 1 1 329.404 0.700 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057234686 772319568 /nfs/dbraw/zinc/31/95/68/772319568.db2.gz LPTQGENXADOPRF-AWEZNQCLSA-N 1 1 328.420 0.729 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCCN(c3cncc(C#N)n3)CC2)CC[N@H+]1C ZINC001057248388 772338490 /nfs/dbraw/zinc/33/84/90/772338490.db2.gz KNCWCXIDBZBIHM-UKRRQHHQSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C#CC1CC1 ZINC001020248188 772347360 /nfs/dbraw/zinc/34/73/60/772347360.db2.gz KVBDTUQEGVOKEV-BFJAYTPKSA-N 1 1 333.432 0.225 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C#CC1CC1 ZINC001020248188 772347367 /nfs/dbraw/zinc/34/73/67/772347367.db2.gz KVBDTUQEGVOKEV-BFJAYTPKSA-N 1 1 333.432 0.225 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H](C)c2noc(C)n2)C1 ZINC001020250528 772350961 /nfs/dbraw/zinc/35/09/61/772350961.db2.gz HOXPLEKKJUBDDU-MXAVVETBSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H](C)c2noc(C)n2)C1 ZINC001020250528 772350965 /nfs/dbraw/zinc/35/09/65/772350965.db2.gz HOXPLEKKJUBDDU-MXAVVETBSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nnc(CC)o2)C1 ZINC001020250997 772351907 /nfs/dbraw/zinc/35/19/07/772351907.db2.gz ZIWRWOSZVBCNPY-IHRRRGAJSA-N 1 1 331.420 0.466 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nnc(CC)o2)C1 ZINC001020250997 772351911 /nfs/dbraw/zinc/35/19/11/772351911.db2.gz ZIWRWOSZVBCNPY-IHRRRGAJSA-N 1 1 331.420 0.466 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]21 ZINC001042265459 783005793 /nfs/dbraw/zinc/00/57/93/783005793.db2.gz GMURVTVGCOHBLA-OCCSQVGLSA-N 1 1 325.372 0.605 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)nn1 ZINC001020272654 772383445 /nfs/dbraw/zinc/38/34/45/772383445.db2.gz VVXCBURWCKUHOD-IHRRRGAJSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)nn1 ZINC001020272655 772383607 /nfs/dbraw/zinc/38/36/07/772383607.db2.gz VVXCBURWCKUHOD-MJBXVCDLSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncn2C)[C@H]1C ZINC001020378459 772512489 /nfs/dbraw/zinc/51/24/89/772512489.db2.gz BQQFWEQMHYKIBX-KKUMJFAQSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncn2C)[C@H]1C ZINC001020378459 772512492 /nfs/dbraw/zinc/51/24/92/772512492.db2.gz BQQFWEQMHYKIBX-KKUMJFAQSA-N 1 1 343.431 0.237 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001057600593 772797715 /nfs/dbraw/zinc/79/77/15/772797715.db2.gz CWRVKDFIADWFJU-CVEARBPZSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001057600593 772797719 /nfs/dbraw/zinc/79/77/19/772797719.db2.gz CWRVKDFIADWFJU-CVEARBPZSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001057601684 772799497 /nfs/dbraw/zinc/79/94/97/772799497.db2.gz RUSJXHOWAXVBOQ-OAHLLOKOSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057635672 772842588 /nfs/dbraw/zinc/84/25/88/772842588.db2.gz GUWREVGDGJKYGG-AWEZNQCLSA-N 1 1 325.453 0.478 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057636541 772844011 /nfs/dbraw/zinc/84/40/11/772844011.db2.gz SZRWFUPADWTXLO-CQSZACIVSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001057697553 772922392 /nfs/dbraw/zinc/92/23/92/772922392.db2.gz SYQNDRVSWWILOO-UHFFFAOYSA-N 1 1 336.436 0.731 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057718685 772942087 /nfs/dbraw/zinc/94/20/87/772942087.db2.gz QCKORPAEFPPHQT-IAGOWNOFSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057719020 772942638 /nfs/dbraw/zinc/94/26/38/772942638.db2.gz YNLGHJYLQYZKCT-HOTGVXAUSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001057790850 772986497 /nfs/dbraw/zinc/98/64/97/772986497.db2.gz QNZZIZIUCVTVTL-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001057790850 772986500 /nfs/dbraw/zinc/98/65/00/772986500.db2.gz QNZZIZIUCVTVTL-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCC1 ZINC001076837474 783073270 /nfs/dbraw/zinc/07/32/70/783073270.db2.gz GIHVPVWEYGWOBM-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCC1 ZINC001076837474 783073279 /nfs/dbraw/zinc/07/32/79/783073279.db2.gz GIHVPVWEYGWOBM-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCCOCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001057920515 773186137 /nfs/dbraw/zinc/18/61/37/773186137.db2.gz USNLLOPUGNYFJD-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC1CCN(c2cncc(C#N)n2)CC1 ZINC001057929297 773205148 /nfs/dbraw/zinc/20/51/48/773205148.db2.gz UVGKRHJMMPJDIR-HNNXBMFYSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C1CCC1 ZINC001057938314 773224160 /nfs/dbraw/zinc/22/41/60/773224160.db2.gz LKXWFEIZNSFEAI-RDJZCZTQSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C1CCC1 ZINC001057938314 773224164 /nfs/dbraw/zinc/22/41/64/773224164.db2.gz LKXWFEIZNSFEAI-RDJZCZTQSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(C)n2)C1 ZINC001058264287 773876591 /nfs/dbraw/zinc/87/65/91/773876591.db2.gz SDKFPZPEKANETG-CVEARBPZSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(C)n2)C1 ZINC001058264287 773876594 /nfs/dbraw/zinc/87/65/94/773876594.db2.gz SDKFPZPEKANETG-CVEARBPZSA-N 1 1 327.432 0.968 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC)cc1 ZINC001058273252 773899502 /nfs/dbraw/zinc/89/95/02/773899502.db2.gz CVGUPZCOQMXRKJ-UHFFFAOYSA-N 1 1 345.443 0.560 20 30 ECEDMO C#CCCCCCC(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001058307624 773944872 /nfs/dbraw/zinc/94/48/72/773944872.db2.gz QTZOPCGYFCNCRY-UHFFFAOYSA-N 1 1 339.480 0.849 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058376694 774061288 /nfs/dbraw/zinc/06/12/88/774061288.db2.gz TXMBPPCAGMOHRU-HOCLYGCPSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058376694 774061295 /nfs/dbraw/zinc/06/12/95/774061295.db2.gz TXMBPPCAGMOHRU-HOCLYGCPSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(c4nccnc4C#N)C[C@H]32)C1 ZINC001040637499 783150976 /nfs/dbraw/zinc/15/09/76/783150976.db2.gz YSKLMQYOYHDPJO-GZBFAFLISA-N 1 1 326.404 0.337 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058403682 774115071 /nfs/dbraw/zinc/11/50/71/774115071.db2.gz VXGDGNUBBLYOHS-KBPBESRZSA-N 1 1 342.447 0.947 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001058446355 774198825 /nfs/dbraw/zinc/19/88/25/774198825.db2.gz ZBWNRXDGNINAKP-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001058466110 774238954 /nfs/dbraw/zinc/23/89/54/774238954.db2.gz GPMBDZUVZDQBMN-HNNXBMFYSA-N 1 1 327.469 0.866 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)CC(=C)C ZINC001058466362 774239548 /nfs/dbraw/zinc/23/95/48/774239548.db2.gz MEFSNUMIEIOTMD-IRXDYDNUSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)CC(=C)C ZINC001058466362 774239552 /nfs/dbraw/zinc/23/95/52/774239552.db2.gz MEFSNUMIEIOTMD-IRXDYDNUSA-N 1 1 349.475 0.623 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058468672 774244475 /nfs/dbraw/zinc/24/44/75/774244475.db2.gz OHUJLUPWBZGSSC-OWCLPIDISA-N 1 1 339.480 0.866 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)no1 ZINC001058483911 774279048 /nfs/dbraw/zinc/27/90/48/774279048.db2.gz CBAPQPGTQQUDQV-GFCCVEGCSA-N 1 1 341.375 0.407 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001058550624 774418222 /nfs/dbraw/zinc/41/82/22/774418222.db2.gz AJSSFASXIDHWEI-UONOGXRCSA-N 1 1 328.420 0.836 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001058573412 774456622 /nfs/dbraw/zinc/45/66/22/774456622.db2.gz LKNXGAHGDWHPSK-AEGPPILISA-N 1 1 328.420 0.773 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001058580504 774471264 /nfs/dbraw/zinc/47/12/64/774471264.db2.gz QVLFKVFNXZLRGQ-UMVBOHGHSA-N 1 1 328.420 0.692 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(COC)ncn2)C1 ZINC001058589660 774491362 /nfs/dbraw/zinc/49/13/62/774491362.db2.gz JOCKKPNVZIKVRK-ZBFHGGJFSA-N 1 1 343.431 0.416 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(COC)ncn2)C1 ZINC001058589660 774491363 /nfs/dbraw/zinc/49/13/63/774491363.db2.gz JOCKKPNVZIKVRK-ZBFHGGJFSA-N 1 1 343.431 0.416 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058623532 774561487 /nfs/dbraw/zinc/56/14/87/774561487.db2.gz WCAJOVCIOJFXJU-OAHLLOKOSA-N 1 1 325.453 0.622 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CCN(c1nccnc1C#N)CC2 ZINC001058627181 774566522 /nfs/dbraw/zinc/56/65/22/774566522.db2.gz KNUFZODDOOWRBQ-LSDHHAIUSA-N 1 1 340.431 0.918 20 30 ECEDMO C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001039866682 783204273 /nfs/dbraw/zinc/20/42/73/783204273.db2.gz AKSSBZSHONVJDA-DAYGRLMNSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001044960714 774770279 /nfs/dbraw/zinc/77/02/79/774770279.db2.gz HGGHJKADZBRMFP-NEPJUHHUSA-N 1 1 341.375 0.767 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001044998708 774815304 /nfs/dbraw/zinc/81/53/04/774815304.db2.gz MAMIKZNYAXLXTG-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1=O ZINC001043874498 775174563 /nfs/dbraw/zinc/17/45/63/775174563.db2.gz HQUWTPFVRCUBOF-HOCLYGCPSA-N 1 1 334.464 0.258 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@@H](C)c2nncn2C)nn1 ZINC001045231610 775187698 /nfs/dbraw/zinc/18/76/98/775187698.db2.gz CSBBDBNVMPWXQM-STQMWFEESA-N 1 1 344.423 0.548 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@@H](n2ccnn2)C1 ZINC001070016374 790335395 /nfs/dbraw/zinc/33/53/95/790335395.db2.gz HOJUJBAMWIZJQC-CABCVRRESA-N 1 1 340.387 0.360 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@@H](n2ccnn2)C1 ZINC001070016374 790335406 /nfs/dbraw/zinc/33/54/06/790335406.db2.gz HOJUJBAMWIZJQC-CABCVRRESA-N 1 1 340.387 0.360 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043909677 775285747 /nfs/dbraw/zinc/28/57/47/775285747.db2.gz LGLGDSPJZLDZKQ-UHFFFAOYSA-N 1 1 332.404 0.075 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CN2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070026870 790373190 /nfs/dbraw/zinc/37/31/90/790373190.db2.gz LOEVWMRVWFHCMV-OAGGEKHMSA-N 1 1 332.452 0.680 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070026870 790373202 /nfs/dbraw/zinc/37/32/02/790373202.db2.gz LOEVWMRVWFHCMV-OAGGEKHMSA-N 1 1 332.452 0.680 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)CC)C1 ZINC001045470462 775661653 /nfs/dbraw/zinc/66/16/53/775661653.db2.gz XOFIPTUKLAVBRV-AWEZNQCLSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)CC)C1 ZINC001045470462 775661664 /nfs/dbraw/zinc/66/16/64/775661664.db2.gz XOFIPTUKLAVBRV-AWEZNQCLSA-N 1 1 335.448 0.210 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(C#N)n2)C1 ZINC001045497745 775704310 /nfs/dbraw/zinc/70/43/10/775704310.db2.gz JHMXXUGPRJVXRR-BFHYXJOUSA-N 1 1 328.420 0.561 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001045551246 775779322 /nfs/dbraw/zinc/77/93/22/775779322.db2.gz GNHVDJMYZHASDN-UKRRQHHQSA-N 1 1 348.447 0.243 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2(C)CCN([C@@H](C)C(=O)NC)CC2)CC1 ZINC001045646664 775961059 /nfs/dbraw/zinc/96/10/59/775961059.db2.gz LMAMUVDNFVEMPY-HNNXBMFYSA-N 1 1 348.491 0.437 20 30 ECEDMO C=CCOCC(=O)NC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001070036871 790409393 /nfs/dbraw/zinc/40/93/93/790409393.db2.gz UXQVFFMZZHDJQQ-CQSZACIVSA-N 1 1 339.436 0.065 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O ZINC001044313924 776125414 /nfs/dbraw/zinc/12/54/14/776125414.db2.gz FTIYGJYRELYFQS-ZBFHGGJFSA-N 1 1 343.362 0.568 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070040892 790423634 /nfs/dbraw/zinc/42/36/34/790423634.db2.gz KKIOJRRLCGVCMO-CVEARBPZSA-N 1 1 341.419 0.482 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070040892 790423644 /nfs/dbraw/zinc/42/36/44/790423644.db2.gz KKIOJRRLCGVCMO-CVEARBPZSA-N 1 1 341.419 0.482 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001044340864 776188756 /nfs/dbraw/zinc/18/87/56/776188756.db2.gz AVTFZXYKPRHGRB-KRWDZBQOSA-N 1 1 335.448 0.518 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001044409359 776283246 /nfs/dbraw/zinc/28/32/46/776283246.db2.gz DGWDJFBHHILLAQ-ZIAGYGMSSA-N 1 1 337.464 0.618 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001068506720 790435427 /nfs/dbraw/zinc/43/54/27/790435427.db2.gz UUFHNJQPJCXRQT-YDHLFZDLSA-N 1 1 328.420 0.997 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001044484534 776347105 /nfs/dbraw/zinc/34/71/05/776347105.db2.gz NJYGKDQYQBQODQ-UHFFFAOYSA-N 1 1 346.431 0.465 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccn3ccnc23)[C@@H](n2ccnn2)C1 ZINC001070051644 790456515 /nfs/dbraw/zinc/45/65/15/790456515.db2.gz ICSHVAFFBXRVKO-CABCVRRESA-N 1 1 337.387 0.767 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cccn3ccnc23)[C@@H](n2ccnn2)C1 ZINC001070051644 790456520 /nfs/dbraw/zinc/45/65/20/790456520.db2.gz ICSHVAFFBXRVKO-CABCVRRESA-N 1 1 337.387 0.767 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001079776458 776851245 /nfs/dbraw/zinc/85/12/45/776851245.db2.gz GXHUNPVQLLCZAT-HUUCEWRRSA-N 1 1 335.448 0.568 20 30 ECEDMO CCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001079804846 776906260 /nfs/dbraw/zinc/90/62/60/776906260.db2.gz PNJUOMIZKMMPQH-KBPBESRZSA-N 1 1 336.436 0.174 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079981754 777189134 /nfs/dbraw/zinc/18/91/34/777189134.db2.gz ZVOJFPRKDNLKPG-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001080009052 777221911 /nfs/dbraw/zinc/22/19/11/777221911.db2.gz OABKKTSVJYHDSM-KRWDZBQOSA-N 1 1 329.444 0.947 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001080009052 777221918 /nfs/dbraw/zinc/22/19/18/777221918.db2.gz OABKKTSVJYHDSM-KRWDZBQOSA-N 1 1 329.444 0.947 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001080050998 777305398 /nfs/dbraw/zinc/30/53/98/777305398.db2.gz MCCPUXCGNKHXMB-ZBFHGGJFSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001080083607 777357769 /nfs/dbraw/zinc/35/77/69/777357769.db2.gz CEWUSXPDJTUEPH-UKRRQHHQSA-N 1 1 334.420 0.516 20 30 ECEDMO CCN(C(=O)CC[NH+]1CCOCC1)C1CN(C(=O)C#CC2CC2)C1 ZINC001080096297 777381428 /nfs/dbraw/zinc/38/14/28/777381428.db2.gz CHSHHVIRTLMINJ-UHFFFAOYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080141336 777453495 /nfs/dbraw/zinc/45/34/95/777453495.db2.gz FFWUVENTZCCXKY-HUUCEWRRSA-N 1 1 335.448 0.426 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(F)c[nH]3)C2)C1=O ZINC001080152205 777473116 /nfs/dbraw/zinc/47/31/16/777473116.db2.gz PMRLLILQJVPFSS-DFBGVHRSSA-N 1 1 334.395 0.991 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(F)c[nH]3)C2)C1=O ZINC001080152205 777473122 /nfs/dbraw/zinc/47/31/22/777473122.db2.gz PMRLLILQJVPFSS-DFBGVHRSSA-N 1 1 334.395 0.991 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001080196106 777536474 /nfs/dbraw/zinc/53/64/74/777536474.db2.gz ITPAHAGBEDMNDY-BXUZGUMPSA-N 1 1 327.388 0.404 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001080196106 777536478 /nfs/dbraw/zinc/53/64/78/777536478.db2.gz ITPAHAGBEDMNDY-BXUZGUMPSA-N 1 1 327.388 0.404 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001080231990 777586607 /nfs/dbraw/zinc/58/66/07/777586607.db2.gz YAENXHDNLMQUFJ-ZYHUDNBSSA-N 1 1 330.396 0.320 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)cc1 ZINC001080245066 777602154 /nfs/dbraw/zinc/60/21/54/777602154.db2.gz ZTRSVRBCGVTYEH-RHSMWYFYSA-N 1 1 325.412 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)cc1 ZINC001080245066 777602158 /nfs/dbraw/zinc/60/21/58/777602158.db2.gz ZTRSVRBCGVTYEH-RHSMWYFYSA-N 1 1 325.412 0.950 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001080288543 777650138 /nfs/dbraw/zinc/65/01/38/777650138.db2.gz XBQNIETTYHBKFC-KBRIMQKVSA-N 1 1 340.427 0.973 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)C1=O ZINC001043099221 777728034 /nfs/dbraw/zinc/72/80/34/777728034.db2.gz GVZSEFMBCQMIID-CVEARBPZSA-N 1 1 334.464 0.400 20 30 ECEDMO Cc1cc(N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c(C#N)cn1 ZINC001043104231 777733795 /nfs/dbraw/zinc/73/37/95/777733795.db2.gz LKVHSFFAGRTIEP-CSMYWGQOSA-N 1 1 343.431 0.273 20 30 ECEDMO Cc1cc(N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c(C#N)cn1 ZINC001043104231 777733800 /nfs/dbraw/zinc/73/38/00/777733800.db2.gz LKVHSFFAGRTIEP-CSMYWGQOSA-N 1 1 343.431 0.273 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080361061 777748800 /nfs/dbraw/zinc/74/88/00/777748800.db2.gz ROMXZOSPKFMGAA-BYCMXARLSA-N 1 1 327.388 0.176 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080361062 777748846 /nfs/dbraw/zinc/74/88/46/777748846.db2.gz ROMXZOSPKFMGAA-KCPJHIHWSA-N 1 1 327.388 0.176 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043132700 777793440 /nfs/dbraw/zinc/79/34/40/777793440.db2.gz IROGECKEYBTUQY-CYBMUJFWSA-N 1 1 334.420 0.483 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001043206952 777958490 /nfs/dbraw/zinc/95/84/90/777958490.db2.gz HBIHRJNFFGFBDZ-UHFFFAOYSA-N 1 1 334.420 0.483 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001080557827 778025490 /nfs/dbraw/zinc/02/54/90/778025490.db2.gz FREOPBLDUSMNIR-ZBFHGGJFSA-N 1 1 335.448 0.283 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C1CN(C(=O)CSCC#N)C1 ZINC001080558400 778028437 /nfs/dbraw/zinc/02/84/37/778028437.db2.gz SIHVIAXLVXJESS-TZMCWYRMSA-N 1 1 338.477 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC(=C)C)C1 ZINC001043314956 778146203 /nfs/dbraw/zinc/14/62/03/778146203.db2.gz KMYCPLCWCZXZTE-HNNXBMFYSA-N 1 1 333.432 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC(=C)C)C1 ZINC001043314956 778146208 /nfs/dbraw/zinc/14/62/08/778146208.db2.gz KMYCPLCWCZXZTE-HNNXBMFYSA-N 1 1 333.432 0.130 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CCC1 ZINC001043352568 778210546 /nfs/dbraw/zinc/21/05/46/778210546.db2.gz LCYBJIMDSOMXOK-OAHLLOKOSA-N 1 1 347.459 0.354 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)C#CC1CC1)O2 ZINC001068571999 790605002 /nfs/dbraw/zinc/60/50/02/790605002.db2.gz ZXQQJVQDAMKTEV-CVEARBPZSA-N 1 1 345.443 0.370 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001043430941 778317350 /nfs/dbraw/zinc/31/73/50/778317350.db2.gz OIMXGEFGZAAKCN-MRXNPFEDSA-N 1 1 325.453 0.618 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 ZINC001043433172 778324541 /nfs/dbraw/zinc/32/45/41/778324541.db2.gz RMXTZQKAZSGZAI-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001043536446 778489053 /nfs/dbraw/zinc/48/90/53/778489053.db2.gz NKOSQFUHXYFUDN-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043591553 778556734 /nfs/dbraw/zinc/55/67/34/778556734.db2.gz AYBKNOKXCGUWLH-RBSFLKMASA-N 1 1 342.447 0.903 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCOCC1 ZINC001070108751 790631674 /nfs/dbraw/zinc/63/16/74/790631674.db2.gz NUTXSFSMXFDLSJ-MRXNPFEDSA-N 1 1 349.475 0.912 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCOCC1 ZINC001070108750 790631829 /nfs/dbraw/zinc/63/18/29/790631829.db2.gz NUTXSFSMXFDLSJ-INIZCTEOSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070110512 790636752 /nfs/dbraw/zinc/63/67/52/790636752.db2.gz UUJWKSXZSRZSRT-CFVMTHIKSA-N 1 1 329.408 0.343 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070110512 790636758 /nfs/dbraw/zinc/63/67/58/790636758.db2.gz UUJWKSXZSRZSRT-CFVMTHIKSA-N 1 1 329.408 0.343 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001043642550 778652309 /nfs/dbraw/zinc/65/23/09/778652309.db2.gz VDCFKMIRYJANBW-YQQAZPJKSA-N 1 1 348.491 0.646 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043659039 778679483 /nfs/dbraw/zinc/67/94/83/778679483.db2.gz GFMAPBOXWQCOEW-OAHLLOKOSA-N 1 1 349.475 0.600 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001043661352 778682647 /nfs/dbraw/zinc/68/26/47/778682647.db2.gz QHBRODYUVSILJA-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 ZINC001068588955 790645057 /nfs/dbraw/zinc/64/50/57/790645057.db2.gz PBHRTTWZVBOZPK-NZBPQXDJSA-N 1 1 328.420 0.853 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001043678356 778707799 /nfs/dbraw/zinc/70/77/99/778707799.db2.gz GSROZXVONNKOJL-HOTGVXAUSA-N 1 1 347.459 0.496 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043771766 778846533 /nfs/dbraw/zinc/84/65/33/778846533.db2.gz YNTCFWYBEPNFFL-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043773109 778849663 /nfs/dbraw/zinc/84/96/63/778849663.db2.gz KFKRZGXOMOHUEK-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001068622732 790738745 /nfs/dbraw/zinc/73/87/45/790738745.db2.gz KFIVGKKWQVNQRH-KBPBESRZSA-N 1 1 336.436 0.362 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@@H]21 ZINC001042271007 779952240 /nfs/dbraw/zinc/95/22/40/779952240.db2.gz VRPOBKDTBMZAHR-HIFRSBDPSA-N 1 1 339.399 0.501 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]21 ZINC001042287711 779995095 /nfs/dbraw/zinc/99/50/95/779995095.db2.gz MKZOEECIWHNKFS-IAGOWNOFSA-N 1 1 342.443 0.806 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1 ZINC001070148082 790754605 /nfs/dbraw/zinc/75/46/05/790754605.db2.gz LOJBZMLKHLGHGE-MNOVXSKESA-N 1 1 339.812 0.537 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCCO[C@H](C[NH2+]CC3CC3)C2)CC1 ZINC001078510868 780060370 /nfs/dbraw/zinc/06/03/70/780060370.db2.gz CLYSYNLDLMEEFC-GOSISDBHSA-N 1 1 333.476 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)NC)nc3)C[C@H]21 ZINC001042317454 780063140 /nfs/dbraw/zinc/06/31/40/780063140.db2.gz YIPMUVATKCRUFG-CZUORRHYSA-N 1 1 326.400 0.611 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001042326340 780077258 /nfs/dbraw/zinc/07/72/58/780077258.db2.gz NXILDECAMGAZLM-RDJZCZTQSA-N 1 1 325.412 0.619 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001042326340 780077266 /nfs/dbraw/zinc/07/72/66/780077266.db2.gz NXILDECAMGAZLM-RDJZCZTQSA-N 1 1 325.412 0.619 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc4nccc(C)n4n3)C[C@@H]21 ZINC001042334063 780088325 /nfs/dbraw/zinc/08/83/25/780088325.db2.gz DMHCOPNJWPTXAG-CABCVRRESA-N 1 1 338.415 0.992 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@H]21 ZINC001042358325 780139102 /nfs/dbraw/zinc/13/91/02/780139102.db2.gz QUVLKFCJQYEJAL-ZIAGYGMSSA-N 1 1 326.404 0.776 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)C[C@H]21 ZINC001042367063 780154114 /nfs/dbraw/zinc/15/41/14/780154114.db2.gz ABWPXEPDHUVNIY-DZGCQCFKSA-N 1 1 346.435 0.089 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042426306 780243200 /nfs/dbraw/zinc/24/32/00/780243200.db2.gz QSDKUSBJFYNRLQ-YUELXQCFSA-N 1 1 328.420 0.773 20 30 ECEDMO Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070156929 790778307 /nfs/dbraw/zinc/77/83/07/790778307.db2.gz BNDNOJQMDBWRDP-HONMWMINSA-N 1 1 329.364 0.276 20 30 ECEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)ncn1 ZINC001070160736 790790240 /nfs/dbraw/zinc/79/02/40/790790240.db2.gz CKWIURQEISMQNX-GLQYFDAESA-N 1 1 340.391 0.078 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@H]1C ZINC001042621639 780542340 /nfs/dbraw/zinc/54/23/40/780542340.db2.gz ZELGBAAWHPNKHF-BNOWGMLFSA-N 1 1 333.461 0.885 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@H]1C ZINC001042621639 780542346 /nfs/dbraw/zinc/54/23/46/780542346.db2.gz ZELGBAAWHPNKHF-BNOWGMLFSA-N 1 1 333.461 0.885 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001042664201 780608083 /nfs/dbraw/zinc/60/80/83/780608083.db2.gz QJSMXFTTXWIDTJ-HUUCEWRRSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001042664448 780608128 /nfs/dbraw/zinc/60/81/28/780608128.db2.gz WATRQYYSRQAISQ-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO CN(c1cnc(C#N)cn1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001068656819 790818102 /nfs/dbraw/zinc/81/81/02/790818102.db2.gz FDFVBMWBTFDOKO-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001042776834 780796510 /nfs/dbraw/zinc/79/65/10/780796510.db2.gz VFQNOQIGOXLOIB-BZUAXINKSA-N 1 1 343.431 0.676 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnnn2C)C1 ZINC001079134509 780797564 /nfs/dbraw/zinc/79/75/64/780797564.db2.gz CBUVIHTYCJYOMI-IAGOWNOFSA-N 1 1 341.415 0.689 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnnn2C)C1 ZINC001079134509 780797573 /nfs/dbraw/zinc/79/75/73/780797573.db2.gz CBUVIHTYCJYOMI-IAGOWNOFSA-N 1 1 341.415 0.689 20 30 ECEDMO C=CCC[NH+]1CCC2(CN(C(=O)Cc3ncn[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079269099 780945540 /nfs/dbraw/zinc/94/55/40/780945540.db2.gz GGWLGSLUHCOBIE-LSDHHAIUSA-N 1 1 345.447 0.863 20 30 ECEDMO CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042948548 781085397 /nfs/dbraw/zinc/08/53/97/781085397.db2.gz HDXVCRHXCWXVKX-QLFBSQMISA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ncc(Cl)n2C)C1 ZINC001042960673 781102593 /nfs/dbraw/zinc/10/25/93/781102593.db2.gz RWQZOTNJVSZYOX-AWEZNQCLSA-N 1 1 349.866 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ncc(Cl)n2C)C1 ZINC001042960673 781102596 /nfs/dbraw/zinc/10/25/96/781102596.db2.gz RWQZOTNJVSZYOX-AWEZNQCLSA-N 1 1 349.866 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2ncccn2)C1 ZINC001042963538 781106369 /nfs/dbraw/zinc/10/63/69/781106369.db2.gz RMZQYHZLJBIOOT-HOCLYGCPSA-N 1 1 327.432 0.778 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2ncccn2)C1 ZINC001042963538 781106373 /nfs/dbraw/zinc/10/63/73/781106373.db2.gz RMZQYHZLJBIOOT-HOCLYGCPSA-N 1 1 327.432 0.778 20 30 ECEDMO CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001043016186 781185616 /nfs/dbraw/zinc/18/56/16/781185616.db2.gz IRSCAWIPUOLUEZ-RBSFLKMASA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001079517634 781212413 /nfs/dbraw/zinc/21/24/13/781212413.db2.gz MYUYLKPRJJXDGP-BPLDGKMQSA-N 1 1 331.420 0.176 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001079537717 781238276 /nfs/dbraw/zinc/23/82/76/781238276.db2.gz FLCKLKPZXHNMQQ-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001079537717 781238277 /nfs/dbraw/zinc/23/82/77/781238277.db2.gz FLCKLKPZXHNMQQ-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079540748 781242445 /nfs/dbraw/zinc/24/24/45/781242445.db2.gz XFVBOCJUXXHDGY-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581478 781285514 /nfs/dbraw/zinc/28/55/14/781285514.db2.gz QPQXDPXJIGAYQU-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589295 781291618 /nfs/dbraw/zinc/29/16/18/781291618.db2.gz BZUGMEIAAIGIAO-CRAIPNDOSA-N 1 1 342.443 0.827 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079598664 781303497 /nfs/dbraw/zinc/30/34/97/781303497.db2.gz KMXUXRAIKZLARC-OLMNPRSZSA-N 1 1 342.443 0.825 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079598664 781303501 /nfs/dbraw/zinc/30/35/01/781303501.db2.gz KMXUXRAIKZLARC-OLMNPRSZSA-N 1 1 342.443 0.825 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)c1 ZINC001077648924 781422326 /nfs/dbraw/zinc/42/23/26/781422326.db2.gz YWFCNHSLBBMKBX-CGTJXYLNSA-N 1 1 343.427 0.655 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)c1 ZINC001077650166 781425075 /nfs/dbraw/zinc/42/50/75/781425075.db2.gz VWMNZAMGARUPKI-IAGOWNOFSA-N 1 1 329.400 0.264 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001041420482 781470509 /nfs/dbraw/zinc/47/05/09/781470509.db2.gz CYJWLOUOMGIOLR-KRWDZBQOSA-N 1 1 333.436 0.472 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2C(F)(F)F)C1 ZINC001077674433 781477439 /nfs/dbraw/zinc/47/74/39/781477439.db2.gz WIJQDGCQUOWXMT-NXEZZACHSA-N 1 1 330.310 0.535 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(CCN(C(=O)c4cn[nH]n4)C3)C2)C1=O ZINC001041435134 781506932 /nfs/dbraw/zinc/50/69/32/781506932.db2.gz OUQURWIJTFYZTG-YOEHRIQHSA-N 1 1 344.419 0.130 20 30 ECEDMO Cc1ccn(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001077694742 781531401 /nfs/dbraw/zinc/53/14/01/781531401.db2.gz FMIXXFGKIDYUFI-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001077694742 781531408 /nfs/dbraw/zinc/53/14/08/781531408.db2.gz FMIXXFGKIDYUFI-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC001041445899 781532750 /nfs/dbraw/zinc/53/27/50/781532750.db2.gz PRTHUQIQUAQQES-GOSISDBHSA-N 1 1 328.416 0.685 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451317 781544762 /nfs/dbraw/zinc/54/47/62/781544762.db2.gz KCHHAVAWZYLFES-GDBMZVCRSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nncn4CC3)C2)C1 ZINC001041487425 781615414 /nfs/dbraw/zinc/61/54/14/781615414.db2.gz SHNXOVMIQVCFOG-YJBOKZPZSA-N 1 1 327.432 0.788 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC001041499974 781638232 /nfs/dbraw/zinc/63/82/32/781638232.db2.gz ZUJOZABGGXVZGM-MAUKXSAKSA-N 1 1 343.431 0.866 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001041505291 781653012 /nfs/dbraw/zinc/65/30/12/781653012.db2.gz KWVYHHHPHKKHNZ-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(C)cnc23)C1 ZINC001077763149 781660143 /nfs/dbraw/zinc/66/01/43/781660143.db2.gz IJTXKIRBXKWPNH-HUUCEWRRSA-N 1 1 329.404 0.779 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@H]2O)nn1 ZINC001077801370 781721859 /nfs/dbraw/zinc/72/18/59/781721859.db2.gz OUONUEUKTQTFPL-FVQBIDKESA-N 1 1 349.435 0.054 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001077820917 781756142 /nfs/dbraw/zinc/75/61/42/781756142.db2.gz QMUQJCKWGZPYSW-TVFCKZIOSA-N 1 1 328.412 0.949 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001077820917 781756148 /nfs/dbraw/zinc/75/61/48/781756148.db2.gz QMUQJCKWGZPYSW-TVFCKZIOSA-N 1 1 328.412 0.949 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001077830268 781773639 /nfs/dbraw/zinc/77/36/39/781773639.db2.gz NGHHDCMMFZUNAT-ZIAGYGMSSA-N 1 1 328.376 0.013 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)ccc1F ZINC001041612886 781852800 /nfs/dbraw/zinc/85/28/00/781852800.db2.gz CVUNGAMGEGBEPN-KRWDZBQOSA-N 1 1 330.363 0.607 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2nccnc2C#N)CCCO1 ZINC001039907735 783255182 /nfs/dbraw/zinc/25/51/82/783255182.db2.gz IFYSIEATYSYFMR-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(c3nccnc3C#N)CCCO2)C1 ZINC001039914988 783273406 /nfs/dbraw/zinc/27/34/06/783273406.db2.gz GXDVLLFNMRPDQX-KBPBESRZSA-N 1 1 344.419 0.011 20 30 ECEDMO CS(=O)(=O)CC[NH+]1CCC2(CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001040697580 783289809 /nfs/dbraw/zinc/28/98/09/783289809.db2.gz VFRGPGXKKKGCIN-UHFFFAOYSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040728185 783338571 /nfs/dbraw/zinc/33/85/71/783338571.db2.gz XNCXPJSAFAKGGW-KRWDZBQOSA-N 1 1 334.420 0.627 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040046486 783433852 /nfs/dbraw/zinc/43/38/52/783433852.db2.gz ALQMEBKBULUMDI-KRWDZBQOSA-N 1 1 334.420 0.627 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001040786568 783437235 /nfs/dbraw/zinc/43/72/35/783437235.db2.gz ILNMDJOQMHNJLM-CWRNSKLLSA-N 1 1 340.431 0.870 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(N(C)c2cnc(C#N)cn2)CC1 ZINC001068707500 790944783 /nfs/dbraw/zinc/94/47/83/790944783.db2.gz RFWIMHHDRZJUAD-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO C=C1CCC(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040807139 783477202 /nfs/dbraw/zinc/47/72/02/783477202.db2.gz OJERNOJWYJXTRN-VQIMIIECSA-N 1 1 349.475 0.764 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@]2(O)CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001040850491 783559313 /nfs/dbraw/zinc/55/93/13/783559313.db2.gz NYJBNSHBPHBJGZ-GOSISDBHSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1n1ccnn1 ZINC001070183151 783610158 /nfs/dbraw/zinc/61/01/58/783610158.db2.gz SLWYEFGEPSHJLR-KGLIPLIRSA-N 1 1 337.811 0.719 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC001070203543 783649702 /nfs/dbraw/zinc/64/97/02/783649702.db2.gz CBYXQGXLZPSQCY-INIZCTEOSA-N 1 1 349.475 0.912 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070252411 783745388 /nfs/dbraw/zinc/74/53/88/783745388.db2.gz FACVTPPQBSPGSJ-OAHLLOKOSA-N 1 1 347.459 0.666 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](NCC#N)[C@@H](n3ccnn3)C2)C1 ZINC001070258299 783755790 /nfs/dbraw/zinc/75/57/90/783755790.db2.gz OCTGDMZZLRRXAD-XHSDSOJGSA-N 1 1 345.451 0.265 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070282492 783787542 /nfs/dbraw/zinc/78/75/42/783787542.db2.gz IYNKCEZNNBCGAY-CABCVRRESA-N 1 1 327.392 0.720 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001070292547 783799822 /nfs/dbraw/zinc/79/98/22/783799822.db2.gz SIRUOSLHRORFGM-CFVMTHIKSA-N 1 1 329.408 0.408 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)cc2F)C1 ZINC001038139066 783908753 /nfs/dbraw/zinc/90/87/53/783908753.db2.gz ZZGLDQBZZUZVKB-RDJZCZTQSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)cc2F)C1 ZINC001038139066 783908760 /nfs/dbraw/zinc/90/87/60/783908760.db2.gz ZZGLDQBZZUZVKB-RDJZCZTQSA-N 1 1 346.406 0.718 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nnn(C)c2C)C1 ZINC001070401526 783972824 /nfs/dbraw/zinc/97/28/24/783972824.db2.gz QGFPRXJLAOXZBI-CYBMUJFWSA-N 1 1 341.419 0.589 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001070403184 783977144 /nfs/dbraw/zinc/97/71/44/783977144.db2.gz MKUNOUVYUTZYKN-ZIAGYGMSSA-N 1 1 345.447 0.918 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2C)C1 ZINC001070404503 783982644 /nfs/dbraw/zinc/98/26/44/783982644.db2.gz HLZCFEHMSXZTEJ-GOEBONIOSA-N 1 1 345.447 0.169 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2C)C1 ZINC001070405028 783983457 /nfs/dbraw/zinc/98/34/57/783983457.db2.gz WYWMTQROIOGRPM-HOCLYGCPSA-N 1 1 345.447 0.169 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ncccc2O)C1 ZINC001070406159 783985914 /nfs/dbraw/zinc/98/59/14/783985914.db2.gz MXNXYQJLCDVLDB-LBPRGKRZSA-N 1 1 325.372 0.863 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ncccc2O)C1 ZINC001070406159 783985920 /nfs/dbraw/zinc/98/59/20/783985920.db2.gz MXNXYQJLCDVLDB-LBPRGKRZSA-N 1 1 325.372 0.863 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ncn(C)n2)C1 ZINC001070408703 783994532 /nfs/dbraw/zinc/99/45/32/783994532.db2.gz ZPBPFTZOCGFFBW-GFCCVEGCSA-N 1 1 327.392 0.281 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnc3nccn3c2)C1 ZINC001070414067 784011299 /nfs/dbraw/zinc/01/12/99/784011299.db2.gz DJNHFKAHTPCDHZ-ZDUSSCGKSA-N 1 1 349.398 0.805 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001070414459 784014006 /nfs/dbraw/zinc/01/40/06/784014006.db2.gz NLNZZHMSBGCTBR-ZIAGYGMSSA-N 1 1 343.431 0.317 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001070414516 784014729 /nfs/dbraw/zinc/01/47/29/784014729.db2.gz OLTKWJFQBOVQPH-UONOGXRCSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnc[nH]c2=O)C1 ZINC001070415018 784015350 /nfs/dbraw/zinc/01/53/50/784015350.db2.gz XDAGUMPTVRNOPC-GFCCVEGCSA-N 1 1 340.387 0.648 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001070414956 784015742 /nfs/dbraw/zinc/01/57/42/784015742.db2.gz VQZLDBYRCMJMDL-UONOGXRCSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001070415139 784015778 /nfs/dbraw/zinc/01/57/78/784015778.db2.gz YBPAWVADTYDFGU-ZBFHGGJFSA-N 1 1 345.447 0.169 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001070418629 784023426 /nfs/dbraw/zinc/02/34/26/784023426.db2.gz TZPJCMJPVIJOKU-UONOGXRCSA-N 1 1 343.431 0.365 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001070419763 784025872 /nfs/dbraw/zinc/02/58/72/784025872.db2.gz HXMHSUHSSGPKTC-TZMCWYRMSA-N 1 1 346.435 0.415 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001070419688 784026445 /nfs/dbraw/zinc/02/64/45/784026445.db2.gz GGMFCTWPMHWEHJ-GXTWGEPZSA-N 1 1 331.420 0.527 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001070421481 784031532 /nfs/dbraw/zinc/03/15/32/784031532.db2.gz LXSKMAUVUUTRMZ-ARLBYUKCSA-N 1 1 328.416 0.731 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001070432789 784057568 /nfs/dbraw/zinc/05/75/68/784057568.db2.gz QCPGXNOVGOLBJM-OCCSQVGLSA-N 1 1 329.404 0.117 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2c[nH]nc2[C@@H]2CCN(CC#N)C2)C1 ZINC001070433809 784059375 /nfs/dbraw/zinc/05/93/75/784059375.db2.gz DWGPEAKEFUIZKM-UKRRQHHQSA-N 1 1 346.435 0.059 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2c[nH]nc2[C@@H]2CCN(CC#N)C2)C1 ZINC001070433809 784059379 /nfs/dbraw/zinc/05/93/79/784059379.db2.gz DWGPEAKEFUIZKM-UKRRQHHQSA-N 1 1 346.435 0.059 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001070434629 784063762 /nfs/dbraw/zinc/06/37/62/784063762.db2.gz YWGVTIJWPOWLLS-KBPBESRZSA-N 1 1 343.431 0.317 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C1CCOCC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070439351 784074063 /nfs/dbraw/zinc/07/40/63/784074063.db2.gz QNHRBYTXXYHGHD-HNNXBMFYSA-N 1 1 345.447 0.954 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H](c2nnc(C)[nH]2)C2(C[NH+](CCO)C2)C1 ZINC001070447467 784102636 /nfs/dbraw/zinc/10/26/36/784102636.db2.gz LIAXWTJEMIWXER-RHSMWYFYSA-N 1 1 347.463 0.936 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001070913120 784103645 /nfs/dbraw/zinc/10/36/45/784103645.db2.gz BWTDSDNHBZTTBZ-XHSDSOJGSA-N 1 1 342.399 0.758 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001070913120 784103648 /nfs/dbraw/zinc/10/36/48/784103648.db2.gz BWTDSDNHBZTTBZ-XHSDSOJGSA-N 1 1 342.399 0.758 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CN(C(=O)c1cnon1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070450806 784111076 /nfs/dbraw/zinc/11/10/76/784111076.db2.gz RSONJCJBQBDYHX-GFCCVEGCSA-N 1 1 341.375 0.061 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001070919940 784115123 /nfs/dbraw/zinc/11/51/23/784115123.db2.gz ZELPZOJJTOEQFP-KFWWJZLASA-N 1 1 349.406 0.865 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001070919940 784115128 /nfs/dbraw/zinc/11/51/28/784115128.db2.gz ZELPZOJJTOEQFP-KFWWJZLASA-N 1 1 349.406 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@@](C)(O)C=C)C1 ZINC001070921933 784119855 /nfs/dbraw/zinc/11/98/55/784119855.db2.gz TWYMNCLFSYXWEQ-GJYPPUQNSA-N 1 1 347.459 0.518 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@@](C)(O)C=C)C1 ZINC001070921933 784119858 /nfs/dbraw/zinc/11/98/58/784119858.db2.gz TWYMNCLFSYXWEQ-GJYPPUQNSA-N 1 1 347.459 0.518 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](C)SC)C1 ZINC001070921957 784120185 /nfs/dbraw/zinc/12/01/85/784120185.db2.gz USDYLOQNWLWTAF-ZNMIVQPWSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](C)SC)C1 ZINC001070921957 784120189 /nfs/dbraw/zinc/12/01/89/784120189.db2.gz USDYLOQNWLWTAF-ZNMIVQPWSA-N 1 1 337.489 0.943 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(=O)NCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC001070962555 784240299 /nfs/dbraw/zinc/24/02/99/784240299.db2.gz WHPNSMYURVZLHK-KRWDZBQOSA-N 1 1 347.459 0.477 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccncc2C)CC1 ZINC001070964371 784248064 /nfs/dbraw/zinc/24/80/64/784248064.db2.gz GAMMNTYEGYRORW-UHFFFAOYSA-N 1 1 342.443 0.606 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccncc2C)CC1 ZINC001070964371 784248067 /nfs/dbraw/zinc/24/80/67/784248067.db2.gz GAMMNTYEGYRORW-UHFFFAOYSA-N 1 1 342.443 0.606 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccn2CC=C)CC1 ZINC001070970814 784271880 /nfs/dbraw/zinc/27/18/80/784271880.db2.gz ZITAQBQQTAOBFA-UHFFFAOYSA-N 1 1 342.443 0.962 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccn2CC=C)CC1 ZINC001070970814 784271891 /nfs/dbraw/zinc/27/18/91/784271891.db2.gz ZITAQBQQTAOBFA-UHFFFAOYSA-N 1 1 342.443 0.962 20 30 ECEDMO N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001070972789 784280356 /nfs/dbraw/zinc/28/03/56/784280356.db2.gz MEWPDRJWAQJVOL-CVEARBPZSA-N 1 1 347.463 0.177 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC001070978730 784300434 /nfs/dbraw/zinc/30/04/34/784300434.db2.gz BBPRXWUKTLNZCV-UHFFFAOYSA-N 1 1 348.403 0.219 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC001070978730 784300441 /nfs/dbraw/zinc/30/04/41/784300441.db2.gz BBPRXWUKTLNZCV-UHFFFAOYSA-N 1 1 348.403 0.219 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2n[nH]nc2C)CC1 ZINC001070985347 784325552 /nfs/dbraw/zinc/32/55/52/784325552.db2.gz LPTLSUMYXSTOCR-UHFFFAOYSA-N 1 1 334.424 0.343 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2n[nH]nc2C)CC1 ZINC001070985347 784325559 /nfs/dbraw/zinc/32/55/59/784325559.db2.gz LPTLSUMYXSTOCR-UHFFFAOYSA-N 1 1 334.424 0.343 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(=O)NCC[N@@H+]([C@@H](C)COC)CC1 ZINC001070987143 784331586 /nfs/dbraw/zinc/33/15/86/784331586.db2.gz SGUSDLVFTUAVQI-AWEZNQCLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(=O)NCC[N@H+]([C@@H](C)COC)CC1 ZINC001070987143 784331595 /nfs/dbraw/zinc/33/15/95/784331595.db2.gz SGUSDLVFTUAVQI-AWEZNQCLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ncccc2F)CC1 ZINC001070992479 784344924 /nfs/dbraw/zinc/34/49/24/784344924.db2.gz KNILQEYUGXNWPG-UHFFFAOYSA-N 1 1 348.422 0.990 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)n2C)CC1 ZINC001070992722 784346955 /nfs/dbraw/zinc/34/69/55/784346955.db2.gz VMHCLAYZTBHMPS-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)n2C)CC1 ZINC001070992722 784346966 /nfs/dbraw/zinc/34/69/66/784346966.db2.gz VMHCLAYZTBHMPS-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC001070996477 784357324 /nfs/dbraw/zinc/35/73/24/784357324.db2.gz UEHDDWFDDATHJW-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001070999999 784368886 /nfs/dbraw/zinc/36/88/86/784368886.db2.gz JKAIIIQNAKVCNN-HZPDHXFCSA-N 1 1 336.480 0.411 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001071003028 784378937 /nfs/dbraw/zinc/37/89/37/784378937.db2.gz OZWNBCGRYRNDOP-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001071003028 784378941 /nfs/dbraw/zinc/37/89/41/784378941.db2.gz OZWNBCGRYRNDOP-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)n2)CC1 ZINC001071008307 784394148 /nfs/dbraw/zinc/39/41/48/784394148.db2.gz SCLNKFRNJIRXTL-UHFFFAOYSA-N 1 1 334.424 0.045 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)n2)CC1 ZINC001071008307 784394159 /nfs/dbraw/zinc/39/41/59/784394159.db2.gz SCLNKFRNJIRXTL-UHFFFAOYSA-N 1 1 334.424 0.045 20 30 ECEDMO N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001071008147 784394657 /nfs/dbraw/zinc/39/46/57/784394657.db2.gz KVTXCFYVBSGOPJ-CVEARBPZSA-N 1 1 347.463 0.177 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ncccn2)n1 ZINC001070599253 784411589 /nfs/dbraw/zinc/41/15/89/784411589.db2.gz QCJOOFQKWNUXSK-KBPBESRZSA-N 1 1 340.387 0.648 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc(OC)nc2)CC1 ZINC001071014160 784415255 /nfs/dbraw/zinc/41/52/55/784415255.db2.gz BSVWAEKBQFGPGL-UHFFFAOYSA-N 1 1 347.419 0.325 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc(OC)nc2)CC1 ZINC001071014160 784415259 /nfs/dbraw/zinc/41/52/59/784415259.db2.gz BSVWAEKBQFGPGL-UHFFFAOYSA-N 1 1 347.419 0.325 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001071015369 784419986 /nfs/dbraw/zinc/41/99/86/784419986.db2.gz ALMYZADDRHIDIG-UHFFFAOYSA-N 1 1 345.447 0.361 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001071015369 784419990 /nfs/dbraw/zinc/41/99/90/784419990.db2.gz ALMYZADDRHIDIG-UHFFFAOYSA-N 1 1 345.447 0.361 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001071019588 784435776 /nfs/dbraw/zinc/43/57/76/784435776.db2.gz UOGVXWJJQXCRHE-UHFFFAOYSA-N 1 1 330.388 0.075 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001071019588 784435780 /nfs/dbraw/zinc/43/57/80/784435780.db2.gz UOGVXWJJQXCRHE-UHFFFAOYSA-N 1 1 330.388 0.075 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccn2CC)CC1 ZINC001071020804 784441549 /nfs/dbraw/zinc/44/15/49/784441549.db2.gz WEDNOCLIAWJINQ-UHFFFAOYSA-N 1 1 330.432 0.795 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccn2CC)CC1 ZINC001071020804 784441550 /nfs/dbraw/zinc/44/15/50/784441550.db2.gz WEDNOCLIAWJINQ-UHFFFAOYSA-N 1 1 330.432 0.795 20 30 ECEDMO Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cncn1C ZINC001070630103 784461413 /nfs/dbraw/zinc/46/14/13/784461413.db2.gz CEIMMENFBUEIHS-NJZAAPMLSA-N 1 1 342.403 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 ZINC001071063204 784502982 /nfs/dbraw/zinc/50/29/82/784502982.db2.gz JSDWRVLWBPCEOM-SQNIBIBYSA-N 1 1 344.459 0.593 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 ZINC001071063204 784502985 /nfs/dbraw/zinc/50/29/85/784502985.db2.gz JSDWRVLWBPCEOM-SQNIBIBYSA-N 1 1 344.459 0.593 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1 ZINC001070654533 784504364 /nfs/dbraw/zinc/50/43/64/784504364.db2.gz VRSIMRUHZILSNA-BZUAXINKSA-N 1 1 344.463 0.702 20 30 ECEDMO Cn1cncc1[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NCC#N ZINC001070655517 784507560 /nfs/dbraw/zinc/50/75/60/784507560.db2.gz PIXUYWRFNAEWIK-HUUCEWRRSA-N 1 1 330.436 0.312 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nccnc1N)C[C@@H](C)O2 ZINC001071146086 784600113 /nfs/dbraw/zinc/60/01/13/784600113.db2.gz GLCIBRIUOKMZBB-DYVFJYSZSA-N 1 1 331.420 0.940 20 30 ECEDMO COCC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)C[C@H](C)O2 ZINC001071154578 784616955 /nfs/dbraw/zinc/61/69/55/784616955.db2.gz MERVVSFUBBYZKD-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CN=NC1=O)C[C@H](C)O2 ZINC001071158940 784624280 /nfs/dbraw/zinc/62/42/80/784624280.db2.gz DVKDCVREADFRIR-XJKSGUPXSA-N 1 1 335.408 0.252 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)C[C@H](C)O2 ZINC001071159895 784627603 /nfs/dbraw/zinc/62/76/03/784627603.db2.gz TTXXECGOTIAJTF-RDJZCZTQSA-N 1 1 333.436 0.936 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CCOC)nn1)C[C@H](C)O2 ZINC001071164351 784637404 /nfs/dbraw/zinc/63/74/04/784637404.db2.gz LAOLPGQPRDDNEA-WMLDXEAASA-N 1 1 349.435 0.416 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@H+](CC(=O)N3CCC3)C2)O1 ZINC001071164396 784637786 /nfs/dbraw/zinc/63/77/86/784637786.db2.gz MJYITWOSBFNIHI-KXBFYZLASA-N 1 1 345.443 0.324 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@@H+](CC(=O)N3CCC3)C2)O1 ZINC001071164396 784637790 /nfs/dbraw/zinc/63/77/90/784637790.db2.gz MJYITWOSBFNIHI-KXBFYZLASA-N 1 1 345.443 0.324 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@]2(CCN(CC#N)C2)O1 ZINC001071183564 784683580 /nfs/dbraw/zinc/68/35/80/784683580.db2.gz QBVVMRXVDLEBBG-CXAGYDPISA-N 1 1 347.419 0.565 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@H](C)O2 ZINC001071185842 784689077 /nfs/dbraw/zinc/68/90/77/784689077.db2.gz MPUYHGPQRLMSDL-YJBOKZPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(=O)Nc1ccccc1)C[C@@H](C)O2 ZINC001071186156 784690747 /nfs/dbraw/zinc/69/07/47/784690747.db2.gz RFDJFIFIFOHJAG-DNVCBOLYSA-N 1 1 341.411 0.950 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@H](C)O2 ZINC001071190111 784696832 /nfs/dbraw/zinc/69/68/32/784696832.db2.gz UIXHNMPADNEFGJ-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@H](C)O2 ZINC001071190271 784697004 /nfs/dbraw/zinc/69/70/04/784697004.db2.gz WOBAHQYGSXKPCU-KBXCAEBGSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@H](C)O2 ZINC001071190250 784697361 /nfs/dbraw/zinc/69/73/61/784697361.db2.gz WIFDUJYKGLXQOK-SUMWQHHRSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@H](C)O2 ZINC001071190250 784697369 /nfs/dbraw/zinc/69/73/69/784697369.db2.gz WIFDUJYKGLXQOK-SUMWQHHRSA-N 1 1 330.388 0.424 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)C)C2)C1 ZINC001070810957 784707112 /nfs/dbraw/zinc/70/71/12/784707112.db2.gz GUAQJVXIUKQWGL-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)C)C2)C1 ZINC001070810957 784707116 /nfs/dbraw/zinc/70/71/16/784707116.db2.gz GUAQJVXIUKQWGL-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)c(C)n[nH]c1=O)C[C@@H](C)O2 ZINC001071197117 784715695 /nfs/dbraw/zinc/71/56/95/784715695.db2.gz NMXYSCPXCDRRBX-XIKOKIGWSA-N 1 1 344.415 0.738 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@H](C)O2 ZINC001071202754 784726252 /nfs/dbraw/zinc/72/62/52/784726252.db2.gz ZJBJWJAXCHDBEU-UGSOOPFHSA-N 1 1 344.415 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cn1)C[C@@H](C)O2 ZINC001071203971 784729979 /nfs/dbraw/zinc/72/99/79/784729979.db2.gz KRTKGCRUCSHCJG-DNVCBOLYSA-N 1 1 343.427 0.958 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@H](C)O2 ZINC001071211917 784748280 /nfs/dbraw/zinc/74/82/80/784748280.db2.gz PYAIMJIJJONFBQ-SCLBCKFNSA-N 1 1 346.431 0.995 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@H+](CCOC)C3)C2)nn1 ZINC001071215495 784754568 /nfs/dbraw/zinc/75/45/68/784754568.db2.gz CKRDTDYEQMUNBS-RHSMWYFYSA-N 1 1 349.435 0.416 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@H](C)O2 ZINC001071218349 784762141 /nfs/dbraw/zinc/76/21/41/784762141.db2.gz MKKDOARBXVFHOX-HKUYNNGSSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnn(CC)c1)C[C@@H](C)O2 ZINC001071225425 784780543 /nfs/dbraw/zinc/78/05/43/784780543.db2.gz KCKJRSDMFJNCBH-QAPCUYQASA-N 1 1 330.432 0.771 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@@H](C)O2 ZINC001071226395 784783934 /nfs/dbraw/zinc/78/39/34/784783934.db2.gz ZOSAISNXCIWWKM-ACJLOTCBSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1conc1COC)C[C@@H](C)O2 ZINC001071228706 784789114 /nfs/dbraw/zinc/78/91/14/784789114.db2.gz YSRGXOIURINEHR-CXAGYDPISA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1conc1COC)C[C@@H](C)O2 ZINC001071228706 784789119 /nfs/dbraw/zinc/78/91/19/784789119.db2.gz YSRGXOIURINEHR-CXAGYDPISA-N 1 1 333.388 0.760 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CCCO)C3)C2)nc1 ZINC001071230551 784792568 /nfs/dbraw/zinc/79/25/68/784792568.db2.gz IXMPXLMDSMWZJS-HNAYVOBHSA-N 1 1 343.427 0.751 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@@H](C)O2 ZINC001071230761 784793204 /nfs/dbraw/zinc/79/32/04/784793204.db2.gz KOLPSHREBHTIBI-CXAGYDPISA-N 1 1 332.404 0.977 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@@H](C)O2 ZINC001071231190 784794469 /nfs/dbraw/zinc/79/44/69/784794469.db2.gz OGDJYJOOUBQDBO-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@H](C)O2 ZINC001071233838 784798626 /nfs/dbraw/zinc/79/86/26/784798626.db2.gz OHKWQYDDGHKIHI-KSSFIOAISA-N 1 1 346.431 0.757 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@H](C)O2 ZINC001071236107 784803371 /nfs/dbraw/zinc/80/33/71/784803371.db2.gz PWRWZYCNLRINOA-GUYCJALGSA-N 1 1 327.388 0.601 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@H](C)O2 ZINC001071236107 784803380 /nfs/dbraw/zinc/80/33/80/784803380.db2.gz PWRWZYCNLRINOA-GUYCJALGSA-N 1 1 327.388 0.601 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC001070900464 784807616 /nfs/dbraw/zinc/80/76/16/784807616.db2.gz NFUIACIJMKGJEJ-OAGGEKHMSA-N 1 1 331.416 0.916 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC001070900464 784807621 /nfs/dbraw/zinc/80/76/21/784807621.db2.gz NFUIACIJMKGJEJ-OAGGEKHMSA-N 1 1 331.416 0.916 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)C(=O)C1 ZINC001071256911 784857591 /nfs/dbraw/zinc/85/75/91/784857591.db2.gz LOOKYVAINSFUCE-HOTGVXAUSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)C(=O)C1 ZINC001071256911 784857595 /nfs/dbraw/zinc/85/75/95/784857595.db2.gz LOOKYVAINSFUCE-HOTGVXAUSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCN1CCN([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C(=O)C1 ZINC001071271898 784904626 /nfs/dbraw/zinc/90/46/26/784904626.db2.gz AELPHKONTMKPNX-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cnn(C)n3)C2)C(=O)C1 ZINC001071275758 784916243 /nfs/dbraw/zinc/91/62/43/784916243.db2.gz OVCHOKQFCOJGAC-AWEZNQCLSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cnn(C)n3)C2)C(=O)C1 ZINC001071275758 784916246 /nfs/dbraw/zinc/91/62/46/784916246.db2.gz OVCHOKQFCOJGAC-AWEZNQCLSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccncn3)C2)C(=O)C1 ZINC001071275897 784917657 /nfs/dbraw/zinc/91/76/57/784917657.db2.gz SCGVGKUWSNBIBC-OAHLLOKOSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccncn3)C2)C(=O)C1 ZINC001071275897 784917663 /nfs/dbraw/zinc/91/76/63/784917663.db2.gz SCGVGKUWSNBIBC-OAHLLOKOSA-N 1 1 343.431 0.802 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071340545 784978473 /nfs/dbraw/zinc/97/84/73/784978473.db2.gz QICSMDGFUHXNPG-NEPJUHHUSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071340545 784978480 /nfs/dbraw/zinc/97/84/80/784978480.db2.gz QICSMDGFUHXNPG-NEPJUHHUSA-N 1 1 345.432 0.776 20 30 ECEDMO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068754165 791076692 /nfs/dbraw/zinc/07/66/92/791076692.db2.gz YBKBHRPSBURYQR-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CCN1CCNC1=O ZINC001071431075 785078263 /nfs/dbraw/zinc/07/82/63/785078263.db2.gz KHZKEJMGSQTRQW-GXTWGEPZSA-N 1 1 344.419 0.494 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071512284 785227036 /nfs/dbraw/zinc/22/70/36/785227036.db2.gz WTGBNTLWCAXJLL-NVXWUHKLSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CC#Cc1ccccc1 ZINC001071512284 785227041 /nfs/dbraw/zinc/22/70/41/785227041.db2.gz WTGBNTLWCAXJLL-NVXWUHKLSA-N 1 1 338.415 0.694 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C ZINC001071860453 785232691 /nfs/dbraw/zinc/23/26/91/785232691.db2.gz IYSUBMLOKQHSDX-QWHCGFSZSA-N 1 1 334.420 0.243 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1COC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001068764099 791097868 /nfs/dbraw/zinc/09/78/68/791097868.db2.gz JJZCLEBKRWOHSL-HUUCEWRRSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C ZINC001071550082 785286999 /nfs/dbraw/zinc/28/69/99/785286999.db2.gz XPMYZWLHTCWKDI-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001068764525 791099567 /nfs/dbraw/zinc/09/95/67/791099567.db2.gz SFQUEHTTYMSRJJ-AWEZNQCLSA-N 1 1 339.436 0.015 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC[C@@H]1C ZINC001071608675 785391280 /nfs/dbraw/zinc/39/12/80/785391280.db2.gz CPKMDBPVMCERKS-DZGCQCFKSA-N 1 1 328.416 0.715 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC[C@H]1C ZINC001071631515 785418952 /nfs/dbraw/zinc/41/89/52/785418952.db2.gz NWKFEFHSIWQFRD-CHWSQXEVSA-N 1 1 328.376 0.535 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@H]1C ZINC001071966937 785434222 /nfs/dbraw/zinc/43/42/22/785434222.db2.gz IUFLVLALEYMRGU-HUUCEWRRSA-N 1 1 345.447 0.374 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@@H]1C ZINC001071702309 785556226 /nfs/dbraw/zinc/55/62/26/785556226.db2.gz XMPPRMGBVMGAPF-UONOGXRCSA-N 1 1 339.403 0.663 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)CC[C@@H]1C ZINC001072072743 785622187 /nfs/dbraw/zinc/62/21/87/785622187.db2.gz OQHPAHBPRHUBCW-KBPBESRZSA-N 1 1 326.404 0.659 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@H]1C ZINC001072098986 785666383 /nfs/dbraw/zinc/66/63/83/785666383.db2.gz JTWZHYLUWIAHAA-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@H]1C ZINC001072099199 785667391 /nfs/dbraw/zinc/66/73/91/785667391.db2.gz NMTKIXWXHZOVQK-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072136725 785730557 /nfs/dbraw/zinc/73/05/57/785730557.db2.gz ZNUJAGXKQVNBES-WCQYABFASA-N 1 1 335.433 0.411 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CC[NH+](C)C)C2)CC1 ZINC001072275956 785948867 /nfs/dbraw/zinc/94/88/67/785948867.db2.gz PUWOCYDKWSQANJ-WBVHZDCISA-N 1 1 348.491 0.246 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001072316479 786029716 /nfs/dbraw/zinc/02/97/16/786029716.db2.gz CSIVEDYJBXIASC-HOCLYGCPSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3N)C[C@H]21 ZINC001074223175 786461525 /nfs/dbraw/zinc/46/15/25/786461525.db2.gz VETFEQKMDAOJPK-CABCVRRESA-N 1 1 333.436 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3N)C[C@H]21 ZINC001074223175 786461526 /nfs/dbraw/zinc/46/15/26/786461526.db2.gz VETFEQKMDAOJPK-CABCVRRESA-N 1 1 333.436 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3nnc(C)[nH]3)C[C@@H]21 ZINC001074239026 786483946 /nfs/dbraw/zinc/48/39/46/786483946.db2.gz VETWNGLNFJJJFK-LSDHHAIUSA-N 1 1 333.436 0.924 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3nnc(C)[nH]3)C[C@@H]21 ZINC001074239026 786483954 /nfs/dbraw/zinc/48/39/54/786483954.db2.gz VETWNGLNFJJJFK-LSDHHAIUSA-N 1 1 333.436 0.924 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3ccoc3)C2)C1=O ZINC001073535189 786501580 /nfs/dbraw/zinc/50/15/80/786501580.db2.gz GGLWGTYGJVZBGP-HOTGVXAUSA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)c3ccoc3)C2)C1=O ZINC001073535189 786501582 /nfs/dbraw/zinc/50/15/82/786501582.db2.gz GGLWGTYGJVZBGP-HOTGVXAUSA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCCCC(=O)N1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001073552647 786568559 /nfs/dbraw/zinc/56/85/59/786568559.db2.gz FACYDCLQJKMADP-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 ZINC001074283456 786587046 /nfs/dbraw/zinc/58/70/46/786587046.db2.gz DQZUMJFQODMQDN-LSDHHAIUSA-N 1 1 336.436 0.280 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 ZINC001074283456 786587055 /nfs/dbraw/zinc/58/70/55/786587055.db2.gz DQZUMJFQODMQDN-LSDHHAIUSA-N 1 1 336.436 0.280 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574465 786652985 /nfs/dbraw/zinc/65/29/85/786652985.db2.gz SUGWCFANTDSFQN-GXTWGEPZSA-N 1 1 347.419 0.184 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574465 786652990 /nfs/dbraw/zinc/65/29/90/786652990.db2.gz SUGWCFANTDSFQN-GXTWGEPZSA-N 1 1 347.419 0.184 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574466 786653051 /nfs/dbraw/zinc/65/30/51/786653051.db2.gz SUGWCFANTDSFQN-JSGCOSHPSA-N 1 1 347.419 0.184 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574466 786653057 /nfs/dbraw/zinc/65/30/57/786653057.db2.gz SUGWCFANTDSFQN-JSGCOSHPSA-N 1 1 347.419 0.184 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3OCC[N@H+](CC4CC4)[C@@H]3C2)nn1 ZINC001074354389 786739131 /nfs/dbraw/zinc/73/91/31/786739131.db2.gz POTCWICUEICZOP-HZPDHXFCSA-N 1 1 331.420 0.789 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](CC4CC4)[C@@H]3C2)nn1 ZINC001074354389 786739137 /nfs/dbraw/zinc/73/91/37/786739137.db2.gz POTCWICUEICZOP-HZPDHXFCSA-N 1 1 331.420 0.789 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001074354566 786740943 /nfs/dbraw/zinc/74/09/43/786740943.db2.gz RZDSTVUWDSJJJJ-LSDHHAIUSA-N 1 1 348.451 0.674 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001074354566 786740951 /nfs/dbraw/zinc/74/09/51/786740951.db2.gz RZDSTVUWDSJJJJ-LSDHHAIUSA-N 1 1 348.451 0.674 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001073601043 786746836 /nfs/dbraw/zinc/74/68/36/786746836.db2.gz DWWYYOGCJKKMQV-ZIAGYGMSSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001073601043 786746842 /nfs/dbraw/zinc/74/68/42/786746842.db2.gz DWWYYOGCJKKMQV-ZIAGYGMSSA-N 1 1 347.419 0.017 20 30 ECEDMO C=C(C)CN1CCO[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001074360271 786751776 /nfs/dbraw/zinc/75/17/76/786751776.db2.gz MPQMPVMVLJBCJU-IRXDYDNUSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCCN1CCO[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001074361199 786753664 /nfs/dbraw/zinc/75/36/64/786753664.db2.gz YEECETUEYHLTES-IRXDYDNUSA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCN1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603822 786755822 /nfs/dbraw/zinc/75/58/22/786755822.db2.gz PNGITJCRVSJIOX-OAHLLOKOSA-N 1 1 335.452 0.451 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001073607934 786762471 /nfs/dbraw/zinc/76/24/71/786762471.db2.gz APJOCGNJPNSNFU-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001073607934 786762475 /nfs/dbraw/zinc/76/24/75/786762475.db2.gz APJOCGNJPNSNFU-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074369650 786779335 /nfs/dbraw/zinc/77/93/35/786779335.db2.gz ZVGYANSVRBQVJV-CABCVRRESA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074369650 786779340 /nfs/dbraw/zinc/77/93/40/786779340.db2.gz ZVGYANSVRBQVJV-CABCVRRESA-N 1 1 332.404 0.605 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625200 786797572 /nfs/dbraw/zinc/79/75/72/786797572.db2.gz CDQSBGJJEXZYGB-HOTGVXAUSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625200 786797574 /nfs/dbraw/zinc/79/75/74/786797574.db2.gz CDQSBGJJEXZYGB-HOTGVXAUSA-N 1 1 335.448 0.331 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001073636930 786836005 /nfs/dbraw/zinc/83/60/05/786836005.db2.gz KWBDHQNJGUPFGP-RHSMWYFYSA-N 1 1 343.427 0.907 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001073636962 786836063 /nfs/dbraw/zinc/83/60/63/786836063.db2.gz MAONUZXTSQFKLH-YOEHRIQHSA-N 1 1 341.411 0.354 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001073636962 786836072 /nfs/dbraw/zinc/83/60/72/786836072.db2.gz MAONUZXTSQFKLH-YOEHRIQHSA-N 1 1 341.411 0.354 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+]([C@@H](CC)C(N)=O)CCCO1 ZINC001073637260 786838201 /nfs/dbraw/zinc/83/82/01/786838201.db2.gz UKZBZTLVUWARIO-GJZGRUSLSA-N 1 1 348.447 0.759 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+]([C@@H](CC)C(N)=O)CCCO1 ZINC001073637260 786838213 /nfs/dbraw/zinc/83/82/13/786838213.db2.gz UKZBZTLVUWARIO-GJZGRUSLSA-N 1 1 348.447 0.759 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cncc3ncn(C)c32)C1 ZINC001073645796 786863012 /nfs/dbraw/zinc/86/30/12/786863012.db2.gz YJGVURVCGVYTJF-CQSZACIVSA-N 1 1 341.415 0.812 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001073647265 786865325 /nfs/dbraw/zinc/86/53/25/786865325.db2.gz GNLQJRMUQXHYLV-AWEZNQCLSA-N 1 1 344.415 0.904 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001073661008 786904651 /nfs/dbraw/zinc/90/46/51/786904651.db2.gz UEADMYSGBCKKPN-AWEZNQCLSA-N 1 1 332.404 0.257 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001073667263 786917761 /nfs/dbraw/zinc/91/77/61/786917761.db2.gz ASWSXCDEHMCXJD-KGLIPLIRSA-N 1 1 349.435 0.329 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]21 ZINC001074417956 786921171 /nfs/dbraw/zinc/92/11/71/786921171.db2.gz XNDZHEPKSAXZRO-HOTGVXAUSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]21 ZINC001074417956 786921179 /nfs/dbraw/zinc/92/11/79/786921179.db2.gz XNDZHEPKSAXZRO-HOTGVXAUSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001073671127 786928993 /nfs/dbraw/zinc/92/89/93/786928993.db2.gz WJYUIQRXKQMKIC-INIZCTEOSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001073671127 786928995 /nfs/dbraw/zinc/92/89/95/786928995.db2.gz WJYUIQRXKQMKIC-INIZCTEOSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001073677447 786947441 /nfs/dbraw/zinc/94/74/41/786947441.db2.gz HILWENLBEHJLJV-AWEZNQCLSA-N 1 1 333.388 0.553 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001073677447 786947448 /nfs/dbraw/zinc/94/74/48/786947448.db2.gz HILWENLBEHJLJV-AWEZNQCLSA-N 1 1 333.388 0.553 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001073686911 786968956 /nfs/dbraw/zinc/96/89/56/786968956.db2.gz DOKRXTZNNNJHKS-AWEZNQCLSA-N 1 1 347.415 0.557 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001073686908 786969483 /nfs/dbraw/zinc/96/94/83/786969483.db2.gz DNJUFSKEFDMFCV-GJZGRUSLSA-N 1 1 336.436 0.008 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001073687707 786971890 /nfs/dbraw/zinc/97/18/90/786971890.db2.gz YXRKSMVNGZSZNW-INIZCTEOSA-N 1 1 347.415 0.557 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001073703078 787006956 /nfs/dbraw/zinc/00/69/56/787006956.db2.gz DOUZVXRYJVGTMO-GJZGRUSLSA-N 1 1 331.420 0.071 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001073703078 787006962 /nfs/dbraw/zinc/00/69/62/787006962.db2.gz DOUZVXRYJVGTMO-GJZGRUSLSA-N 1 1 331.420 0.071 20 30 ECEDMO C=CCN1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073710378 787020569 /nfs/dbraw/zinc/02/05/69/787020569.db2.gz YSRARLIDGWKDKD-NDUQDZPOSA-N 1 1 335.448 0.243 20 30 ECEDMO C=CCN1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073710378 787020578 /nfs/dbraw/zinc/02/05/78/787020578.db2.gz YSRARLIDGWKDKD-NDUQDZPOSA-N 1 1 335.448 0.243 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2CCCC)C1 ZINC001073713030 787029304 /nfs/dbraw/zinc/02/93/04/787029304.db2.gz RJUXBBVZWKKUFI-IAGOWNOFSA-N 1 1 339.480 0.880 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001073713328 787031827 /nfs/dbraw/zinc/03/18/27/787031827.db2.gz YSOLDHQAAGCPPX-MSOLQXFVSA-N 1 1 349.475 0.328 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001073713328 787031834 /nfs/dbraw/zinc/03/18/34/787031834.db2.gz YSOLDHQAAGCPPX-MSOLQXFVSA-N 1 1 349.475 0.328 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001073741969 787098531 /nfs/dbraw/zinc/09/85/31/787098531.db2.gz ZLRCXWYULRFCSL-NVXWUHKLSA-N 1 1 344.459 0.755 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001073742773 787100579 /nfs/dbraw/zinc/10/05/79/787100579.db2.gz FMAUTHVUXOKYTE-ZDUSSCGKSA-N 1 1 344.419 0.760 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001073743139 787102385 /nfs/dbraw/zinc/10/23/85/787102385.db2.gz OBICYJRCKMMLKN-ZDUSSCGKSA-N 1 1 344.419 0.760 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001073746003 787111512 /nfs/dbraw/zinc/11/15/12/787111512.db2.gz MLYDHZRJMWKUGQ-GJZGRUSLSA-N 1 1 345.447 0.150 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001073746212 787113262 /nfs/dbraw/zinc/11/32/62/787113262.db2.gz RYUBLRGHWPBYBW-HUUCEWRRSA-N 1 1 347.463 0.703 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)OC)CCCO2)c1 ZINC001073763234 787152148 /nfs/dbraw/zinc/15/21/48/787152148.db2.gz YVYXFMBNNNLTKN-WMLDXEAASA-N 1 1 331.416 0.919 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001074520574 787161142 /nfs/dbraw/zinc/16/11/42/787161142.db2.gz YRPMZRMQRMOUHA-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001073769414 787167721 /nfs/dbraw/zinc/16/77/21/787167721.db2.gz GVCYSKSDAMSNFF-AWEZNQCLSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001073772161 787174333 /nfs/dbraw/zinc/17/43/33/787174333.db2.gz GQYWCGPXYIGRLV-CQSZACIVSA-N 1 1 346.431 0.886 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001073798298 787222220 /nfs/dbraw/zinc/22/22/20/787222220.db2.gz BNOFMVJLFUFDIG-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001073798298 787222224 /nfs/dbraw/zinc/22/22/24/787222224.db2.gz BNOFMVJLFUFDIG-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CCCCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074555197 787247521 /nfs/dbraw/zinc/24/75/21/787247521.db2.gz QPHRECKTYWOKNP-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001073819740 787262822 /nfs/dbraw/zinc/26/28/22/787262822.db2.gz IOYWQKKMEBAYKQ-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001073824185 787276078 /nfs/dbraw/zinc/27/60/78/787276078.db2.gz PGSDSVYOUOBBFM-INIZCTEOSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc3ncccn3n2)C1 ZINC001073830674 787297688 /nfs/dbraw/zinc/29/76/88/787297688.db2.gz NDNIAJHSWQHSLN-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001073832640 787304161 /nfs/dbraw/zinc/30/41/61/787304161.db2.gz QXPQSWSDTAEWPI-OAHLLOKOSA-N 1 1 329.404 0.975 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001074579779 787312027 /nfs/dbraw/zinc/31/20/27/787312027.db2.gz VBLZBWCRMKVCAD-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001073851215 787361382 /nfs/dbraw/zinc/36/13/82/787361382.db2.gz YAIANPWMPNOGND-AWEZNQCLSA-N 1 1 342.403 0.264 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001073851215 787361387 /nfs/dbraw/zinc/36/13/87/787361387.db2.gz YAIANPWMPNOGND-AWEZNQCLSA-N 1 1 342.403 0.264 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073851224 787362172 /nfs/dbraw/zinc/36/21/72/787362172.db2.gz YDSOMWOFEMXOGP-OAHLLOKOSA-N 1 1 349.431 0.850 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001073853511 787364879 /nfs/dbraw/zinc/36/48/79/787364879.db2.gz HPKVXTKFSGLDNO-CABCVRRESA-N 1 1 338.452 0.703 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001073856650 787374561 /nfs/dbraw/zinc/37/45/61/787374561.db2.gz LITCWBXFARLBLQ-HNNXBMFYSA-N 1 1 344.415 0.719 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001073856650 787374568 /nfs/dbraw/zinc/37/45/68/787374568.db2.gz LITCWBXFARLBLQ-HNNXBMFYSA-N 1 1 344.415 0.719 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001073859264 787379063 /nfs/dbraw/zinc/37/90/63/787379063.db2.gz FMVLANYOEWVHLW-UONOGXRCSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001073859264 787379072 /nfs/dbraw/zinc/37/90/72/787379072.db2.gz FMVLANYOEWVHLW-UONOGXRCSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001073859264 787379082 /nfs/dbraw/zinc/37/90/82/787379082.db2.gz FMVLANYOEWVHLW-UONOGXRCSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001073859264 787379090 /nfs/dbraw/zinc/37/90/90/787379090.db2.gz FMVLANYOEWVHLW-UONOGXRCSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001073859264 787379102 /nfs/dbraw/zinc/37/91/02/787379102.db2.gz FMVLANYOEWVHLW-UONOGXRCSA-N 1 1 331.420 0.140 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001073862523 787390549 /nfs/dbraw/zinc/39/05/49/787390549.db2.gz ULYRDSHSYKBMNU-ZDUSSCGKSA-N 1 1 343.383 0.577 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ncoc2-c2ccon2)C1 ZINC001073862663 787391438 /nfs/dbraw/zinc/39/14/38/787391438.db2.gz VOAJJCDNFAVAKQ-LBPRGKRZSA-N 1 1 330.344 0.784 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ncoc2-c2ccon2)C1 ZINC001073862663 787391446 /nfs/dbraw/zinc/39/14/46/787391446.db2.gz VOAJJCDNFAVAKQ-LBPRGKRZSA-N 1 1 330.344 0.784 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C)c1nncn1C ZINC001074613919 787396449 /nfs/dbraw/zinc/39/64/49/787396449.db2.gz QATSDJJRGBEODA-MJVIPROJSA-N 1 1 327.392 0.969 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)COC)CCCO2)nc1 ZINC001073865385 787399680 /nfs/dbraw/zinc/39/96/80/787399680.db2.gz HMKPHBUSAPDZJH-GOEBONIOSA-N 1 1 331.416 0.919 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001073890748 787448951 /nfs/dbraw/zinc/44/89/51/787448951.db2.gz ICLMYIAVPQEUKF-CVEARBPZSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001074642089 787482285 /nfs/dbraw/zinc/48/22/85/787482285.db2.gz GGEIEBCYIAEAED-UHFFFAOYSA-N 1 1 334.420 0.627 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(O)(CNC(=O)C#CC(C)C)CC1 ZINC001074642602 787483855 /nfs/dbraw/zinc/48/38/55/787483855.db2.gz ZVHXHKWQLZCSEG-UHFFFAOYSA-N 1 1 346.431 0.321 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074662183 787533825 /nfs/dbraw/zinc/53/38/25/787533825.db2.gz IRJNREKLXQYMSD-CQSZACIVSA-N 1 1 337.464 0.620 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1NC(=O)C#CC1CC1 ZINC001073949722 787569296 /nfs/dbraw/zinc/56/92/96/787569296.db2.gz UWUVNAQMAPHLLV-NVXWUHKLSA-N 1 1 347.459 0.475 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)C[C@H]1C ZINC001073972383 787612680 /nfs/dbraw/zinc/61/26/80/787612680.db2.gz WJNOVFWWFCJLOU-TZMCWYRMSA-N 1 1 349.460 0.802 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001074723949 787697846 /nfs/dbraw/zinc/69/78/46/787697846.db2.gz QCSDEWLTPURHIR-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074731156 787720852 /nfs/dbraw/zinc/72/08/52/787720852.db2.gz ITRYRGUYJGEPQM-HOCLYGCPSA-N 1 1 347.459 0.067 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC001074093255 787867512 /nfs/dbraw/zinc/86/75/12/787867512.db2.gz QUHXTBODHDCEKG-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1=O ZINC001072595518 788392554 /nfs/dbraw/zinc/39/25/54/788392554.db2.gz XUBFHCVDMULWMV-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CCCCO4)C3)C2)C1=O ZINC001072627836 788466273 /nfs/dbraw/zinc/46/62/73/788466273.db2.gz BBIDGLFDOPEIAI-HZPDHXFCSA-N 1 1 347.459 0.877 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)C1=O ZINC001072639814 788483437 /nfs/dbraw/zinc/48/34/37/788483437.db2.gz NHPCKJPPYPLCBS-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)CC4(O)CCC4)C3)C2)C1=O ZINC001072716157 788641767 /nfs/dbraw/zinc/64/17/67/788641767.db2.gz GWDOTTGXPFABBF-OAHLLOKOSA-N 1 1 347.459 0.613 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)CC4(O)CCC4)C3)C2)C1=O ZINC001072716156 788642001 /nfs/dbraw/zinc/64/20/01/788642001.db2.gz GWDOTTGXPFABBF-HNNXBMFYSA-N 1 1 347.459 0.613 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C)cn1 ZINC001072742552 788692322 /nfs/dbraw/zinc/69/23/22/788692322.db2.gz RWSVPRDRBQNUQJ-YOEHRIQHSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CC[N@@H+]1CCC2(CN(C(=O)c3cccc(OCC(N)=O)c3)C2)C1 ZINC001072796774 788815267 /nfs/dbraw/zinc/81/52/67/788815267.db2.gz BJMOZZNRCATETD-UHFFFAOYSA-N 1 1 329.400 0.885 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cccc(OCC(N)=O)c3)C2)C1 ZINC001072797139 788816639 /nfs/dbraw/zinc/81/66/39/788816639.db2.gz MZGTYVKANVJVQX-UHFFFAOYSA-N 1 1 341.411 0.722 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C2)C1 ZINC001072803249 788838775 /nfs/dbraw/zinc/83/87/75/788838775.db2.gz JLIQTQHXOQPOKB-CYBMUJFWSA-N 1 1 330.436 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H](OC)C(C)C)C3)C2)C1=O ZINC001072944891 789148629 /nfs/dbraw/zinc/14/86/29/789148629.db2.gz NINUZSYVEQGFSC-CVEARBPZSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001072994629 789244966 /nfs/dbraw/zinc/24/49/66/789244966.db2.gz KOBXZWACMJKGSC-ILXRZTDVSA-N 1 1 333.432 0.390 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001072999514 789254400 /nfs/dbraw/zinc/25/44/00/789254400.db2.gz CGBYCGLVDMSWER-IMJJTQAJSA-N 1 1 347.459 0.779 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001073027419 789300295 /nfs/dbraw/zinc/30/02/95/789300295.db2.gz IYEVIDWCMUZXJI-HNNXBMFYSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(=O)N(C)C)C3)nn1 ZINC001073043432 789335302 /nfs/dbraw/zinc/33/53/02/789335302.db2.gz YTTCWIGHXAGHLB-ZDUSSCGKSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cnon4)C3)C2)C1=O ZINC001073068220 789382562 /nfs/dbraw/zinc/38/25/62/789382562.db2.gz GGWWZEAVGYIABA-ZDUSSCGKSA-N 1 1 331.376 0.004 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnn(C)c4)[C@@H]3C2)C1=O ZINC001075533899 789466546 /nfs/dbraw/zinc/46/65/46/789466546.db2.gz NBWYVKAHDFSTRM-CWRNSKLLSA-N 1 1 343.431 0.353 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnn(C)c1C ZINC001075626143 789586690 /nfs/dbraw/zinc/58/66/90/789586690.db2.gz MSDKGCRGQHMQQA-BBRMVZONSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnn(C)c1C ZINC001075626143 789586696 /nfs/dbraw/zinc/58/66/96/789586696.db2.gz MSDKGCRGQHMQQA-BBRMVZONSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001073396420 789788536 /nfs/dbraw/zinc/78/85/36/789788536.db2.gz OJNJDNGMCMZOKG-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCOc1ccc(CC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)cc1 ZINC001073467648 789873099 /nfs/dbraw/zinc/87/30/99/789873099.db2.gz BRPVJYHENXHACU-UHFFFAOYSA-N 1 1 343.427 0.814 20 30 ECEDMO C=CCOc1ccc(CC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)cc1 ZINC001073467648 789873103 /nfs/dbraw/zinc/87/31/03/789873103.db2.gz BRPVJYHENXHACU-UHFFFAOYSA-N 1 1 343.427 0.814 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3ccc(C#N)nc3)C(C)(C)C2)C1 ZINC001069553544 789896055 /nfs/dbraw/zinc/89/60/55/789896055.db2.gz YXXPVHKTIZMJTH-HOTGVXAUSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3ccc(C#N)nc3)C(C)(C)C2)C1 ZINC001069553544 789896061 /nfs/dbraw/zinc/89/60/61/789896061.db2.gz YXXPVHKTIZMJTH-HOTGVXAUSA-N 1 1 343.431 0.933 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069616025 789933923 /nfs/dbraw/zinc/93/39/23/789933923.db2.gz DVCMNEZWZHIZJS-ZIAGYGMSSA-N 1 1 342.447 0.903 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CC(Nc2cncc(C#N)n2)C1 ZINC001069787162 790033634 /nfs/dbraw/zinc/03/36/34/790033634.db2.gz URZOUVPQYUIELR-UHFFFAOYSA-N 1 1 325.376 0.955 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC(=O)N(C)C3)c2C1 ZINC001069862244 790115628 /nfs/dbraw/zinc/11/56/28/790115628.db2.gz HEOPGQIPWJXNQL-AWEZNQCLSA-N 1 1 345.447 0.759 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC(=O)N(C)C3)c2C1 ZINC001069862244 790115630 /nfs/dbraw/zinc/11/56/30/790115630.db2.gz HEOPGQIPWJXNQL-AWEZNQCLSA-N 1 1 345.447 0.759 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)NC3)c2C1 ZINC001069865783 790122659 /nfs/dbraw/zinc/12/26/59/790122659.db2.gz POECGBGRYJZBAA-CQSZACIVSA-N 1 1 345.447 0.807 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)NC3)c2C1 ZINC001069865783 790122660 /nfs/dbraw/zinc/12/26/60/790122660.db2.gz POECGBGRYJZBAA-CQSZACIVSA-N 1 1 345.447 0.807 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)c2C1 ZINC001069873488 790135807 /nfs/dbraw/zinc/13/58/07/790135807.db2.gz HGLBUDXAVILLFF-GOEBONIOSA-N 1 1 329.448 0.536 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069902879 790172630 /nfs/dbraw/zinc/17/26/30/790172630.db2.gz TXQUSLCDQLEOBO-CVEARBPZSA-N 1 1 343.435 0.942 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)[C@@H](n2ccnn2)C1 ZINC001069929703 790202189 /nfs/dbraw/zinc/20/21/89/790202189.db2.gz LUPQCHYTXMRDCE-WCVJEAGWSA-N 1 1 331.420 0.787 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)[C@@H](n2ccnn2)C1 ZINC001069929703 790202197 /nfs/dbraw/zinc/20/21/97/790202197.db2.gz LUPQCHYTXMRDCE-WCVJEAGWSA-N 1 1 331.420 0.787 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@@H](n2ccnn2)C1 ZINC001069937699 790211639 /nfs/dbraw/zinc/21/16/39/790211639.db2.gz IUHYEWLWDNCALC-CVEARBPZSA-N 1 1 341.419 0.916 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@@H](n2ccnn2)C1 ZINC001069937699 790211641 /nfs/dbraw/zinc/21/16/41/790211641.db2.gz IUHYEWLWDNCALC-CVEARBPZSA-N 1 1 341.419 0.916 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@@H](n2ccnn2)C1 ZINC001069939139 790213631 /nfs/dbraw/zinc/21/36/31/790213631.db2.gz ZSLLDCUSLSHELU-HIFRSBDPSA-N 1 1 329.408 0.726 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@@H](n2ccnn2)C1 ZINC001069939139 790213636 /nfs/dbraw/zinc/21/36/36/790213636.db2.gz ZSLLDCUSLSHELU-HIFRSBDPSA-N 1 1 329.408 0.726 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](n2ccnn2)C1 ZINC001069946540 790225117 /nfs/dbraw/zinc/22/51/17/790225117.db2.gz WXNRUIURKUCNKJ-KGLIPLIRSA-N 1 1 343.391 0.098 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](n2ccnn2)C1 ZINC001069946540 790225122 /nfs/dbraw/zinc/22/51/22/790225122.db2.gz WXNRUIURKUCNKJ-KGLIPLIRSA-N 1 1 343.391 0.098 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001069949116 790229008 /nfs/dbraw/zinc/22/90/08/790229008.db2.gz DGQCFGXNXMXMHC-XOUADPBQSA-N 1 1 341.419 0.723 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001069949116 790229013 /nfs/dbraw/zinc/22/90/13/790229013.db2.gz DGQCFGXNXMXMHC-XOUADPBQSA-N 1 1 341.419 0.723 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069960115 790242717 /nfs/dbraw/zinc/24/27/17/790242717.db2.gz BTGUGLZPLDUQDH-CABCVRRESA-N 1 1 330.367 0.582 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069960115 790242723 /nfs/dbraw/zinc/24/27/23/790242723.db2.gz BTGUGLZPLDUQDH-CABCVRRESA-N 1 1 330.367 0.582 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069962278 790246220 /nfs/dbraw/zinc/24/62/20/790246220.db2.gz NYYMDBIQJWTSFK-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccnc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001069965795 790252451 /nfs/dbraw/zinc/25/24/51/790252451.db2.gz GUDHAJVPNPYMRG-CABCVRRESA-N 1 1 340.387 0.360 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001069965795 790252455 /nfs/dbraw/zinc/25/24/55/790252455.db2.gz GUDHAJVPNPYMRG-CABCVRRESA-N 1 1 340.387 0.360 20 30 ECEDMO C#CCCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068821827 791198633 /nfs/dbraw/zinc/19/86/33/791198633.db2.gz QPPMCSBKOULGSG-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001068833491 791223362 /nfs/dbraw/zinc/22/33/62/791223362.db2.gz OMGUGNAXXWPLAL-HZPDHXFCSA-N 1 1 347.459 0.760 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001068899507 791369088 /nfs/dbraw/zinc/36/90/88/791369088.db2.gz OCEHTRWZGXGLJS-OAHLLOKOSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@H+](C)C1CCC1)CO2 ZINC001068906396 791389671 /nfs/dbraw/zinc/38/96/71/791389671.db2.gz VFFADPWFYYDGNK-CQSZACIVSA-N 1 1 335.448 0.923 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001068935940 791457085 /nfs/dbraw/zinc/45/70/85/791457085.db2.gz VSKZBDAKFITVOE-JKSUJKDBSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCOCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@H+](C)CCC)CO2 ZINC001068940406 791468885 /nfs/dbraw/zinc/46/88/85/791468885.db2.gz NJKMGXYTHJDHSU-CQSZACIVSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001068949974 791487932 /nfs/dbraw/zinc/48/79/32/791487932.db2.gz QZUCJKXTJFICHX-AWEZNQCLSA-N 1 1 346.431 0.890 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)CO2 ZINC001069040099 791636628 /nfs/dbraw/zinc/63/66/28/791636628.db2.gz LEOSVESHGQNNOY-HZPDHXFCSA-N 1 1 347.459 0.474 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)C[C@@H]1C ZINC001069176413 791759728 /nfs/dbraw/zinc/75/97/28/791759728.db2.gz SHCDEYCSPHPXAO-FZMZJTMJSA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNc3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001066685737 791985455 /nfs/dbraw/zinc/98/54/55/791985455.db2.gz DKJRVZHJBSDNOF-BPLDGKMQSA-N 1 1 344.419 0.328 20 30 ECEDMO Cc1cc(N2CCN([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)nc(C)[nH+]1 ZINC001066697775 792015970 /nfs/dbraw/zinc/01/59/70/792015970.db2.gz CMNXYTVFNRBMIJ-CZUORRHYSA-N 1 1 342.447 0.976 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001066750697 792097120 /nfs/dbraw/zinc/09/71/20/792097120.db2.gz XQJAUJPXQLDEFN-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066750413 792097727 /nfs/dbraw/zinc/09/77/27/792097727.db2.gz PUTYURRHWFPPHP-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1cnc[nH]1 ZINC001067709298 792165038 /nfs/dbraw/zinc/16/50/38/792165038.db2.gz KYOFPEKUMFMPNJ-INIZCTEOSA-N 1 1 345.447 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1cnc[nH]1 ZINC001067709298 792165042 /nfs/dbraw/zinc/16/50/42/792165042.db2.gz KYOFPEKUMFMPNJ-INIZCTEOSA-N 1 1 345.447 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1nonc1C ZINC001067709440 792165157 /nfs/dbraw/zinc/16/51/57/792165157.db2.gz XBVQFBHFESNBKU-AWEZNQCLSA-N 1 1 347.419 0.396 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1nonc1C ZINC001067709440 792165161 /nfs/dbraw/zinc/16/51/61/792165161.db2.gz XBVQFBHFESNBKU-AWEZNQCLSA-N 1 1 347.419 0.396 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cn1ccnc1 ZINC001067709365 792165265 /nfs/dbraw/zinc/16/52/65/792165265.db2.gz OUVLUQZFVJLUNF-INIZCTEOSA-N 1 1 345.447 0.288 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cn1ccnc1 ZINC001067709365 792165270 /nfs/dbraw/zinc/16/52/70/792165270.db2.gz OUVLUQZFVJLUNF-INIZCTEOSA-N 1 1 345.447 0.288 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1nccnc1C#N ZINC001067742972 792213060 /nfs/dbraw/zinc/21/30/60/792213060.db2.gz SFIQYKFQJCKOMW-UKRRQHHQSA-N 1 1 328.420 0.870 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)CSCC#N ZINC001066874758 792248053 /nfs/dbraw/zinc/24/80/53/792248053.db2.gz GGWURCGPOYFNAC-UHFFFAOYSA-N 1 1 328.482 0.890 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3ncccc3C#N)C2)C1 ZINC001067838589 792352335 /nfs/dbraw/zinc/35/23/35/792352335.db2.gz ONQPFGOWKVBNFU-ZALBZXLWSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3ncccc3C#N)C2)C1 ZINC001067838589 792352342 /nfs/dbraw/zinc/35/23/42/792352342.db2.gz ONQPFGOWKVBNFU-ZALBZXLWSA-N 1 1 329.404 0.591 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3nccnc3C#N)C2)C1 ZINC001067853004 792373967 /nfs/dbraw/zinc/37/39/67/792373967.db2.gz VNSOVOLJMRVQNF-PIMMBPRGSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3nccnc3C#N)C2)C1 ZINC001067853004 792373982 /nfs/dbraw/zinc/37/39/82/792373982.db2.gz VNSOVOLJMRVQNF-PIMMBPRGSA-N 1 1 344.419 0.376 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CC(CNc2nccnc2C#N)C1 ZINC001067873368 792404120 /nfs/dbraw/zinc/40/41/20/792404120.db2.gz BFVREAHZAMXXTI-UHFFFAOYSA-N 1 1 325.376 0.860 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC2CC(CNc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001067892921 792433858 /nfs/dbraw/zinc/43/38/58/792433858.db2.gz MMDZJVVIZRMXTL-PFSRBDOWSA-N 1 1 342.447 0.807 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001066998904 792539125 /nfs/dbraw/zinc/53/91/25/792539125.db2.gz IKPZFOYSYRKWBN-UHFFFAOYSA-N 1 1 341.452 0.218 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001067011341 792575581 /nfs/dbraw/zinc/57/55/81/792575581.db2.gz MRHAFMAABUQYNR-GJZGRUSLSA-N 1 1 325.453 0.979 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001068099494 792669103 /nfs/dbraw/zinc/66/91/03/792669103.db2.gz UMVJWFRJAMUEAT-ZIAGYGMSSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CCC1(C(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001067080708 792677430 /nfs/dbraw/zinc/67/74/30/792677430.db2.gz SVEKNDJCHCRDFI-MRXNPFEDSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCC1(C(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001067080708 792677435 /nfs/dbraw/zinc/67/74/35/792677435.db2.gz SVEKNDJCHCRDFI-MRXNPFEDSA-N 1 1 349.475 0.818 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC1(C)C ZINC001068112325 792691834 /nfs/dbraw/zinc/69/18/34/792691834.db2.gz OUWNLYBZARTPCY-AWEZNQCLSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(c3cncc(C#N)n3)CC2(C)C)C1 ZINC001068113370 792692969 /nfs/dbraw/zinc/69/29/69/792692969.db2.gz IFFUVWZXMZBFOL-JSGCOSHPSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001067115918 792712680 /nfs/dbraw/zinc/71/26/80/792712680.db2.gz BHHHNKLXGTYQOJ-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001068157753 792757812 /nfs/dbraw/zinc/75/78/12/792757812.db2.gz LJBHZOCVWDZURU-APIJFGDWSA-N 1 1 326.404 0.241 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cc(C)ncn3)C[C@H]21 ZINC001068209180 792831739 /nfs/dbraw/zinc/83/17/39/792831739.db2.gz UKGNDMTYFBGVGK-NXOAAHMSSA-N 1 1 339.443 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cc(C)ncn3)C[C@H]21 ZINC001068209180 792831752 /nfs/dbraw/zinc/83/17/52/792831752.db2.gz UKGNDMTYFBGVGK-NXOAAHMSSA-N 1 1 339.443 0.681 20 30 ECEDMO CC(C)C#CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001067363866 793041702 /nfs/dbraw/zinc/04/17/02/793041702.db2.gz YRZBLYUMATWLLV-SJORKVTESA-N 1 1 349.475 0.816 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001068357399 793121158 /nfs/dbraw/zinc/12/11/58/793121158.db2.gz ZJTMAAICVFVJPV-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1C ZINC001067421670 793130141 /nfs/dbraw/zinc/13/01/41/793130141.db2.gz YVLPQAZHRPHSQF-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CCC[C@H]1C ZINC001067431584 793149201 /nfs/dbraw/zinc/14/92/01/793149201.db2.gz SRVNZQOCCNEFEK-CVEARBPZSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068389196 793182263 /nfs/dbraw/zinc/18/22/63/793182263.db2.gz ZLEFULGZGVZMMS-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068395297 793203215 /nfs/dbraw/zinc/20/32/15/793203215.db2.gz WOWOXSRLDHBDAC-MRXNPFEDSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCCC[N@@H+]1C)CCO2 ZINC001068410620 793255328 /nfs/dbraw/zinc/25/53/28/793255328.db2.gz WJHHRDLIOXYTQK-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001267500541 837575341 /nfs/dbraw/zinc/57/53/41/837575341.db2.gz FYYRPXCCLQCZPI-LBPRGKRZSA-N 1 1 336.823 0.859 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](CNC(=O)c1cn[nH]c1)c1ccccc1 ZINC001267517254 837610713 /nfs/dbraw/zinc/61/07/13/837610713.db2.gz NQDYGCSAVHSNMX-OAHLLOKOSA-N 1 1 327.388 0.773 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267523062 837676871 /nfs/dbraw/zinc/67/68/71/837676871.db2.gz GBOAIXZJSDDNSU-AWEZNQCLSA-N 1 1 334.420 0.026 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](CNC(=O)c1ccncn1)c1ccccc1 ZINC001267522914 837678154 /nfs/dbraw/zinc/67/81/54/837678154.db2.gz MXBKJVLIYZLBDT-INIZCTEOSA-N 1 1 339.399 0.840 20 30 ECEDMO CCCN(C(=O)C[C@H]1COC(=O)C1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267541348 837725722 /nfs/dbraw/zinc/72/57/22/837725722.db2.gz ZGBBPULNZCGUTJ-CVEARBPZSA-N 1 1 336.432 0.902 20 30 ECEDMO CCCN(C(=O)C[C@H]1COC(=O)C1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267541348 837725725 /nfs/dbraw/zinc/72/57/25/837725725.db2.gz ZGBBPULNZCGUTJ-CVEARBPZSA-N 1 1 336.432 0.902 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2snnc2CC)C1 ZINC001267544178 837732041 /nfs/dbraw/zinc/73/20/41/837732041.db2.gz JUHLFHXTIUIYMO-GFCCVEGCSA-N 1 1 349.460 0.292 20 30 ECEDMO C#Cc1cncc(C(=O)N(CCC)[C@H]2CC[N@@H+](C[C@@H](O)COC)C2)c1 ZINC001267546674 837740544 /nfs/dbraw/zinc/74/05/44/837740544.db2.gz RTQHVOCYMNEWBT-ZWKOTPCHSA-N 1 1 345.443 0.997 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccccn2)C1 ZINC001267549809 837749320 /nfs/dbraw/zinc/74/93/20/837749320.db2.gz JGZXFZYLQJYRJI-LSDHHAIUSA-N 1 1 328.416 0.661 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001267550653 837751175 /nfs/dbraw/zinc/75/11/75/837751175.db2.gz CBTYACFHUVRMOK-CHWSQXEVSA-N 1 1 347.419 0.315 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C2(COC)CCC2)C1 ZINC001267560700 837771489 /nfs/dbraw/zinc/77/14/89/837771489.db2.gz LOYOKWGELJABHI-HZPDHXFCSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001267564863 837780023 /nfs/dbraw/zinc/78/00/23/837780023.db2.gz GOMYXVJMRLYILE-XHSDSOJGSA-N 1 1 335.448 0.708 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@@H]2CC[N@H+](C[C@@H](O)COC)C2)nc1 ZINC001267567672 837787444 /nfs/dbraw/zinc/78/74/44/837787444.db2.gz PYAAQNRRKMFGPS-HZPDHXFCSA-N 1 1 331.416 0.512 20 30 ECEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001267567524 837787498 /nfs/dbraw/zinc/78/74/98/837787498.db2.gz NWIHYDQPRFLYOB-AWEZNQCLSA-N 1 1 348.447 0.492 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)CCn2cnccc2=O)C1 ZINC001267568190 837789123 /nfs/dbraw/zinc/78/91/23/837789123.db2.gz HLZOTVATGHQPGT-INIZCTEOSA-N 1 1 346.431 0.111 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)CCc2cnn(C)c2)C1 ZINC001267572277 837808057 /nfs/dbraw/zinc/80/80/57/837808057.db2.gz YEDDQSNBCRYRPH-MRXNPFEDSA-N 1 1 332.448 0.831 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)Cc2cnn3ccccc23)CC1 ZINC001267572992 837812965 /nfs/dbraw/zinc/81/29/65/837812965.db2.gz FEFUGMQWGONPQX-UHFFFAOYSA-N 1 1 339.443 0.586 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)Cc2cnn3ccccc23)CC1 ZINC001267572992 837812974 /nfs/dbraw/zinc/81/29/74/837812974.db2.gz FEFUGMQWGONPQX-UHFFFAOYSA-N 1 1 339.443 0.586 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CCN1CCN(CC#N)CC1 ZINC001267573814 837817727 /nfs/dbraw/zinc/81/77/27/837817727.db2.gz ZPPHVTRJWPBQCC-QGZVFWFLSA-N 1 1 335.496 0.706 20 30 ECEDMO C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001267577880 837834309 /nfs/dbraw/zinc/83/43/09/837834309.db2.gz FDRJEHMUZOSXTD-AWEZNQCLSA-N 1 1 338.477 0.646 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2snnc2C)C1 ZINC001267576902 837831554 /nfs/dbraw/zinc/83/15/54/837831554.db2.gz BASWVLQXOVQHPO-OLZOCXBDSA-N 1 1 349.460 0.378 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001267576548 837831850 /nfs/dbraw/zinc/83/18/50/837831850.db2.gz SLHHQPNOYIHXCY-FPCVCCKLSA-N 1 1 335.448 0.684 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001266249235 835555595 /nfs/dbraw/zinc/55/55/95/835555595.db2.gz WLMMEVVTSNTZFX-ZIAGYGMSSA-N 1 1 333.436 0.532 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001266249235 835555597 /nfs/dbraw/zinc/55/55/97/835555597.db2.gz WLMMEVVTSNTZFX-ZIAGYGMSSA-N 1 1 333.436 0.532 20 30 ECEDMO CO[C@@H](C)CN1CC[NH+](CCCNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001266259401 835566695 /nfs/dbraw/zinc/56/66/95/835566695.db2.gz BKHHEYGPULWRPR-AWEZNQCLSA-N 1 1 333.436 0.659 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCCC[NH+]1CCN(Cc2cnc(C)o2)CC1 ZINC001266262126 835572609 /nfs/dbraw/zinc/57/26/09/835572609.db2.gz DNCNSHZQQWMLGL-OAHLLOKOSA-N 1 1 348.447 0.645 20 30 ECEDMO C=C(Cl)CN1CC[NH+](CCCNC(=O)[C@@]2(C)CCNC2=O)CC1 ZINC001266271154 835591811 /nfs/dbraw/zinc/59/18/11/835591811.db2.gz HKLAVJVFQFSAEC-MRXNPFEDSA-N 1 1 342.871 0.389 20 30 ECEDMO COc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C#N ZINC001266272878 835595369 /nfs/dbraw/zinc/59/53/69/835595369.db2.gz FTOGAFAXPPGCFY-ZIAGYGMSSA-N 1 1 332.360 0.780 20 30 ECEDMO COc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C#N ZINC001266272878 835595375 /nfs/dbraw/zinc/59/53/75/835595375.db2.gz FTOGAFAXPPGCFY-ZIAGYGMSSA-N 1 1 332.360 0.780 20 30 ECEDMO COc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C#N ZINC001266272878 835595381 /nfs/dbraw/zinc/59/53/81/835595381.db2.gz FTOGAFAXPPGCFY-ZIAGYGMSSA-N 1 1 332.360 0.780 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC001266275340 835599112 /nfs/dbraw/zinc/59/91/12/835599112.db2.gz VUCHARDIFWPKPT-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC001266275340 835599117 /nfs/dbraw/zinc/59/91/17/835599117.db2.gz VUCHARDIFWPKPT-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO O=C(C#CC1CC1)NCCN1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC001266283183 835614315 /nfs/dbraw/zinc/61/43/15/835614315.db2.gz HUMUSKZACVBWCQ-AWEZNQCLSA-N 1 1 347.381 0.447 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1c(C)cc(=O)oc1C ZINC001266295417 835642634 /nfs/dbraw/zinc/64/26/34/835642634.db2.gz JGQXJIRKWIUHBJ-GFCCVEGCSA-N 1 1 335.404 0.609 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1c(C)cc(=O)oc1C ZINC001266295417 835642636 /nfs/dbraw/zinc/64/26/36/835642636.db2.gz JGQXJIRKWIUHBJ-GFCCVEGCSA-N 1 1 335.404 0.609 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC(C2(NC(=O)c3ccns3)CC2)CC1 ZINC001279359865 835679931 /nfs/dbraw/zinc/67/99/31/835679931.db2.gz AOMQOSXCIQOHEJ-UHFFFAOYSA-N 1 1 347.444 0.757 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001266327361 835706780 /nfs/dbraw/zinc/70/67/80/835706780.db2.gz DBNDCWVFOKHAMT-STQMWFEESA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001266327361 835706784 /nfs/dbraw/zinc/70/67/84/835706784.db2.gz DBNDCWVFOKHAMT-STQMWFEESA-N 1 1 333.436 0.857 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2ccccc2C1 ZINC001266330548 835712238 /nfs/dbraw/zinc/71/22/38/835712238.db2.gz ZDARSRBMFFQYEL-YJBOKZPZSA-N 1 1 341.455 0.977 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2ccccc2C1 ZINC001266330548 835712242 /nfs/dbraw/zinc/71/22/42/835712242.db2.gz ZDARSRBMFFQYEL-YJBOKZPZSA-N 1 1 341.455 0.977 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266339283 835724154 /nfs/dbraw/zinc/72/41/54/835724154.db2.gz NFRCGJGSVSKINR-GJZGRUSLSA-N 1 1 345.447 0.247 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266339282 835724493 /nfs/dbraw/zinc/72/44/93/835724493.db2.gz NFRCGJGSVSKINR-CABCVRRESA-N 1 1 345.447 0.247 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001266342026 835728493 /nfs/dbraw/zinc/72/84/93/835728493.db2.gz OHJLZWUDBQWSQN-DLBZAZTESA-N 1 1 348.491 0.719 20 30 ECEDMO CN1C(=O)CN(CC(=O)NCC[N@H+](C)Cc2ccc(C#N)s2)C1=O ZINC001266347087 835739312 /nfs/dbraw/zinc/73/93/12/835739312.db2.gz HKOKKUCGBVUBTP-UHFFFAOYSA-N 1 1 349.416 0.062 20 30 ECEDMO CN1C(=O)CN(CC(=O)NCC[N@@H+](C)Cc2ccc(C#N)s2)C1=O ZINC001266347087 835739321 /nfs/dbraw/zinc/73/93/21/835739321.db2.gz HKOKKUCGBVUBTP-UHFFFAOYSA-N 1 1 349.416 0.062 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001266347658 835740724 /nfs/dbraw/zinc/74/07/24/835740724.db2.gz QPOZKDWJLICYEK-CQSZACIVSA-N 1 1 331.420 0.723 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001266347658 835740738 /nfs/dbraw/zinc/74/07/38/835740738.db2.gz QPOZKDWJLICYEK-CQSZACIVSA-N 1 1 331.420 0.723 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2ccc(C)s2)C1 ZINC001266355761 835759312 /nfs/dbraw/zinc/75/93/12/835759312.db2.gz NPKPHLIHCWEGKD-AWEZNQCLSA-N 1 1 349.456 0.627 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)CNC(=O)c2ccc(C)s2)C1 ZINC001266355761 835759325 /nfs/dbraw/zinc/75/93/25/835759325.db2.gz NPKPHLIHCWEGKD-AWEZNQCLSA-N 1 1 349.456 0.627 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC001266358674 835765218 /nfs/dbraw/zinc/76/52/18/835765218.db2.gz XHAZCZGDGFHBLO-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CCc1ccccc1F ZINC001266358683 835765613 /nfs/dbraw/zinc/76/56/13/835765613.db2.gz XNRWMNPBIQAAFQ-CQSZACIVSA-N 1 1 333.407 0.944 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CCc1ccccc1F ZINC001266358683 835765621 /nfs/dbraw/zinc/76/56/21/835765621.db2.gz XNRWMNPBIQAAFQ-CQSZACIVSA-N 1 1 333.407 0.944 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC001266358631 835765642 /nfs/dbraw/zinc/76/56/42/835765642.db2.gz FSSYKKHUZVZSHE-WCQYABFASA-N 1 1 336.461 0.875 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC001266358631 835765650 /nfs/dbraw/zinc/76/56/50/835765650.db2.gz FSSYKKHUZVZSHE-WCQYABFASA-N 1 1 336.461 0.875 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001266359326 835767554 /nfs/dbraw/zinc/76/75/54/835767554.db2.gz SSWSWXWLYZBUNI-HOTGVXAUSA-N 1 1 347.463 0.944 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001266359326 835767563 /nfs/dbraw/zinc/76/75/63/835767563.db2.gz SSWSWXWLYZBUNI-HOTGVXAUSA-N 1 1 347.463 0.944 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001266361304 835770410 /nfs/dbraw/zinc/77/04/10/835770410.db2.gz KTCGXIZYDTVDOX-HUUCEWRRSA-N 1 1 333.436 0.542 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1ccc2cccnn21 ZINC001266419952 835825297 /nfs/dbraw/zinc/82/52/97/835825297.db2.gz BCFUCLQKVNLMRW-UHFFFAOYSA-N 1 1 329.404 0.688 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ccc2cccnn21 ZINC001266419952 835825306 /nfs/dbraw/zinc/82/53/06/835825306.db2.gz BCFUCLQKVNLMRW-UHFFFAOYSA-N 1 1 329.404 0.688 20 30 ECEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001266431318 835835596 /nfs/dbraw/zinc/83/55/96/835835596.db2.gz DKGBWCHAAFQGFI-HNNXBMFYSA-N 1 1 331.482 0.863 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 ZINC001266451358 835854169 /nfs/dbraw/zinc/85/41/69/835854169.db2.gz COPCMSDSNDXRBU-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@H](C[N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001266455786 835857986 /nfs/dbraw/zinc/85/79/86/835857986.db2.gz LEKBKULDVZWCMZ-HUUCEWRRSA-N 1 1 333.432 0.621 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1)n1cccc1 ZINC001266455453 835858428 /nfs/dbraw/zinc/85/84/28/835858428.db2.gz FGZVMBWPMZZWKJ-JKSUJKDBSA-N 1 1 345.447 0.859 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@H](C[N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001266455867 835859098 /nfs/dbraw/zinc/85/90/98/835859098.db2.gz MRXVWWYAOLLZPU-OAHLLOKOSA-N 1 1 347.463 0.972 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001266469700 835872067 /nfs/dbraw/zinc/87/20/67/835872067.db2.gz QRCWPDMCKJYIPI-CRAIPNDOSA-N 1 1 335.448 0.333 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2nccc2C)C1 ZINC001266469926 835872828 /nfs/dbraw/zinc/87/28/28/835872828.db2.gz WFIWQYSZIVLLCW-INIZCTEOSA-N 1 1 347.463 0.664 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1coc(OCC)n1 ZINC001266471216 835874034 /nfs/dbraw/zinc/87/40/34/835874034.db2.gz KTZDWSAXHXMZAI-QWHCGFSZSA-N 1 1 348.403 0.405 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(OCC)n1 ZINC001266471216 835874040 /nfs/dbraw/zinc/87/40/40/835874040.db2.gz KTZDWSAXHXMZAI-QWHCGFSZSA-N 1 1 348.403 0.405 20 30 ECEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001266473358 835876054 /nfs/dbraw/zinc/87/60/54/835876054.db2.gz ZQHGIGHFOAIJMO-GDBMZVCRSA-N 1 1 343.493 0.815 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001266473962 835876336 /nfs/dbraw/zinc/87/63/36/835876336.db2.gz DWJCBLSXUORRMW-HLUFSKSISA-N 1 1 333.432 0.293 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001266473962 835876341 /nfs/dbraw/zinc/87/63/41/835876341.db2.gz DWJCBLSXUORRMW-HLUFSKSISA-N 1 1 333.432 0.293 20 30 ECEDMO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)CN1CCCCS1(=O)=O ZINC001266473785 835876367 /nfs/dbraw/zinc/87/63/67/835876367.db2.gz AFJYLJVSSQXPMH-HNNXBMFYSA-N 1 1 343.493 0.959 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001266474094 835877236 /nfs/dbraw/zinc/87/72/36/835877236.db2.gz HKSMDYJPFDZLHG-CQSZACIVSA-N 1 1 333.436 0.533 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001266474094 835877240 /nfs/dbraw/zinc/87/72/40/835877240.db2.gz HKSMDYJPFDZLHG-CQSZACIVSA-N 1 1 333.436 0.533 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(=O)cc1OC ZINC001266483551 835883311 /nfs/dbraw/zinc/88/33/11/835883311.db2.gz XYJWXAUPTZIKMC-CYBMUJFWSA-N 1 1 333.388 0.640 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCN1C(=O)CCC1=O ZINC001266486830 835886672 /nfs/dbraw/zinc/88/66/72/835886672.db2.gz VPHGDLNQSWRNPL-GASCZTMLSA-N 1 1 331.416 0.614 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001266495212 835893991 /nfs/dbraw/zinc/89/39/91/835893991.db2.gz IZJDBIISMDVRAK-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CSCC#N)C2)nn1 ZINC001266501021 835901922 /nfs/dbraw/zinc/90/19/22/835901922.db2.gz ZZYKWAAKACJTDN-LBPRGKRZSA-N 1 1 335.433 0.680 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C(=O)N2CCN(CC#N)CC2)C1 ZINC001266504407 835905689 /nfs/dbraw/zinc/90/56/89/835905689.db2.gz BDYMQZFZVPPRRY-INIZCTEOSA-N 1 1 349.479 0.233 20 30 ECEDMO O=C(C#CC1CC1)NC[C@@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001266511132 835918547 /nfs/dbraw/zinc/91/85/47/835918547.db2.gz JTJTVYBLHZMLEF-JKSUJKDBSA-N 1 1 338.473 0.663 20 30 ECEDMO CCc1ccnc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001266513718 835924287 /nfs/dbraw/zinc/92/42/87/835924287.db2.gz FWJUWHDPMJATHG-CQSZACIVSA-N 1 1 329.404 0.335 20 30 ECEDMO CCc1ccnc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001266513718 835924294 /nfs/dbraw/zinc/92/42/94/835924294.db2.gz FWJUWHDPMJATHG-CQSZACIVSA-N 1 1 329.404 0.335 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2cn(CC3CC3)nn2)C1 ZINC001266514612 835926335 /nfs/dbraw/zinc/92/63/35/835926335.db2.gz SVEYJIQEFJTWEM-GOEBONIOSA-N 1 1 345.447 0.665 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2cn(CC3CC3)nn2)C1 ZINC001266514612 835926337 /nfs/dbraw/zinc/92/63/37/835926337.db2.gz SVEYJIQEFJTWEM-GOEBONIOSA-N 1 1 345.447 0.665 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(F)CCOCC2)C1 ZINC001266517530 835928830 /nfs/dbraw/zinc/92/88/30/835928830.db2.gz KTTYAPFFBLNXOR-KBPBESRZSA-N 1 1 339.411 0.081 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2occ3c2CCOC3)C1 ZINC001266523271 835938243 /nfs/dbraw/zinc/93/82/43/835938243.db2.gz KFPNWDUXPRGISF-CYBMUJFWSA-N 1 1 345.399 0.153 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cc2cncc(C)c2)C1 ZINC001266523526 835938837 /nfs/dbraw/zinc/93/88/37/835938837.db2.gz PRUQWNYNEZWKFV-OAHLLOKOSA-N 1 1 330.432 0.673 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001266534214 835952841 /nfs/dbraw/zinc/95/28/41/835952841.db2.gz XETOAVHDXNNFBN-SMDDNHRTSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001266534214 835952850 /nfs/dbraw/zinc/95/28/50/835952850.db2.gz XETOAVHDXNNFBN-SMDDNHRTSA-N 1 1 344.253 0.859 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C3CC3)no2)C1 ZINC001266537228 835955493 /nfs/dbraw/zinc/95/54/93/835955493.db2.gz HAZVUCHVVHVPHE-STQMWFEESA-N 1 1 344.415 0.742 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2c(C)nn(C)c2OC)C1 ZINC001266537063 835955845 /nfs/dbraw/zinc/95/58/45/835955845.db2.gz DDUTVRSAWUHUSP-CYBMUJFWSA-N 1 1 349.435 0.091 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2nocc2C)C1 ZINC001266539871 835959945 /nfs/dbraw/zinc/95/99/45/835959945.db2.gz KNALSABMBXRKAU-GFCCVEGCSA-N 1 1 349.391 0.047 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2nocc2C)C1 ZINC001266539871 835959949 /nfs/dbraw/zinc/95/99/49/835959949.db2.gz KNALSABMBXRKAU-GFCCVEGCSA-N 1 1 349.391 0.047 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cncnc2C(C)C)C1 ZINC001266548467 835970893 /nfs/dbraw/zinc/97/08/93/835970893.db2.gz ATCIFCXFBIRQGE-CQSZACIVSA-N 1 1 345.447 0.954 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)C[C@@H]1CCOC[C@@H]1OC)C1CC1 ZINC001266594155 836025795 /nfs/dbraw/zinc/02/57/95/836025795.db2.gz HBNLAOVSHYSOID-RDJZCZTQSA-N 1 1 338.448 0.658 20 30 ECEDMO CN(CC[NH2+]Cc1nc(C2CC2)nn1C)C(=O)c1c[nH]c(C#N)c1 ZINC001266680046 836132566 /nfs/dbraw/zinc/13/25/66/836132566.db2.gz ARSPNACMGYWOQF-UHFFFAOYSA-N 1 1 327.392 0.754 20 30 ECEDMO CC(C)Cn1ncnc1C[NH2+]CCN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001266681345 836133786 /nfs/dbraw/zinc/13/37/86/836133786.db2.gz RFUJJGQTKCZOBP-UHFFFAOYSA-N 1 1 329.408 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)c1nnnn1C1CC1 ZINC001266728785 836207938 /nfs/dbraw/zinc/20/79/38/836207938.db2.gz LEPSGYOSBBTHNZ-ZFWWWQNUSA-N 1 1 345.451 0.215 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)c1nnnn1C1CC1 ZINC001266728785 836207945 /nfs/dbraw/zinc/20/79/45/836207945.db2.gz LEPSGYOSBBTHNZ-ZFWWWQNUSA-N 1 1 345.451 0.215 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001266740782 836223200 /nfs/dbraw/zinc/22/32/00/836223200.db2.gz ZKNVVHACPGIRJK-LLVKDONJSA-N 1 1 337.811 0.750 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001266740782 836223211 /nfs/dbraw/zinc/22/32/11/836223211.db2.gz ZKNVVHACPGIRJK-LLVKDONJSA-N 1 1 337.811 0.750 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001266751193 836243088 /nfs/dbraw/zinc/24/30/88/836243088.db2.gz CVQUXPARZWYKHO-CQSZACIVSA-N 1 1 345.447 0.573 20 30 ECEDMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)c(C)nn1 ZINC001266751889 836244382 /nfs/dbraw/zinc/24/43/82/836244382.db2.gz KYGKFRHLUVMZHS-CQSZACIVSA-N 1 1 344.419 0.175 20 30 ECEDMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)c(C)nn1 ZINC001266751889 836244398 /nfs/dbraw/zinc/24/43/98/836244398.db2.gz KYGKFRHLUVMZHS-CQSZACIVSA-N 1 1 344.419 0.175 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC001266754305 836247028 /nfs/dbraw/zinc/24/70/28/836247028.db2.gz AFDXXEVQQJOVDQ-CQSZACIVSA-N 1 1 346.431 0.834 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2occ3c2CCC3)C1 ZINC001266754523 836247200 /nfs/dbraw/zinc/24/72/00/836247200.db2.gz CKSMGDYQHBBMEW-CQSZACIVSA-N 1 1 343.427 0.960 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2occ3c2CCC3)C1 ZINC001266754523 836247216 /nfs/dbraw/zinc/24/72/16/836247216.db2.gz CKSMGDYQHBBMEW-CQSZACIVSA-N 1 1 343.427 0.960 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2ncccc2F)C1 ZINC001266757802 836254939 /nfs/dbraw/zinc/25/49/39/836254939.db2.gz IBAGKYROGJERLI-CQSZACIVSA-N 1 1 346.406 0.341 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)N(C)CC)C1 ZINC001266760928 836261698 /nfs/dbraw/zinc/26/16/98/836261698.db2.gz PEOKQSLTYJALDJ-XHSDSOJGSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ncccc2F)C1 ZINC001266763592 836266696 /nfs/dbraw/zinc/26/66/96/836266696.db2.gz GNGXISVOZOLINF-CYBMUJFWSA-N 1 1 334.395 0.965 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@@H+]2CCNS(C)(=O)=O)C1 ZINC001266855674 836389940 /nfs/dbraw/zinc/38/99/40/836389940.db2.gz FQYMLLYZWURAJS-CQSZACIVSA-N 1 1 343.493 0.863 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@H+]2CCNS(C)(=O)=O)C1 ZINC001266855674 836389946 /nfs/dbraw/zinc/38/99/46/836389946.db2.gz FQYMLLYZWURAJS-CQSZACIVSA-N 1 1 343.493 0.863 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001266892421 836442958 /nfs/dbraw/zinc/44/29/58/836442958.db2.gz VPQIRRFKZSEKDW-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC(=O)N2CCOCC2)C1 ZINC001266896533 836447808 /nfs/dbraw/zinc/44/78/08/836447808.db2.gz CDUDXKSGNOQAAS-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001266898363 836449933 /nfs/dbraw/zinc/44/99/33/836449933.db2.gz VHBOGSLSUPITQO-JKSUJKDBSA-N 1 1 334.464 0.048 20 30 ECEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001266899364 836452690 /nfs/dbraw/zinc/45/26/90/836452690.db2.gz ZFDXDANZSOURLN-LVNYTYFRSA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001266899364 836452694 /nfs/dbraw/zinc/45/26/94/836452694.db2.gz ZFDXDANZSOURLN-LVNYTYFRSA-N 1 1 335.448 0.683 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NCCCC)C[C@H]21 ZINC001266901136 836455239 /nfs/dbraw/zinc/45/52/39/836455239.db2.gz VOGKIZVNZHZTDT-ZVDSWSACSA-N 1 1 335.448 0.376 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001267099628 836768600 /nfs/dbraw/zinc/76/86/00/836768600.db2.gz BRLZLHXLLRSNMT-HUUCEWRRSA-N 1 1 348.451 0.282 20 30 ECEDMO CCCn1nccc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267104125 836780098 /nfs/dbraw/zinc/78/00/98/836780098.db2.gz MVDUJFOYCPVVSS-CQSZACIVSA-N 1 1 346.435 0.469 20 30 ECEDMO CCCn1nccc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267104125 836780101 /nfs/dbraw/zinc/78/01/01/836780101.db2.gz MVDUJFOYCPVVSS-CQSZACIVSA-N 1 1 346.435 0.469 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CCNC(=O)C2CC2)C1 ZINC001267104684 836781366 /nfs/dbraw/zinc/78/13/66/836781366.db2.gz DUJLETKIOOVMAT-ZBFHGGJFSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cncc2C)C1 ZINC001267107517 836789663 /nfs/dbraw/zinc/78/96/63/836789663.db2.gz DYGVFBODKWBLMS-JKSUJKDBSA-N 1 1 345.447 0.252 20 30 ECEDMO CCOCC1(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001267109032 836792224 /nfs/dbraw/zinc/79/22/24/836792224.db2.gz WAUXLSCZEKIYRT-CQSZACIVSA-N 1 1 336.436 0.366 20 30 ECEDMO CCOCC1(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001267109032 836792230 /nfs/dbraw/zinc/79/22/30/836792230.db2.gz WAUXLSCZEKIYRT-CQSZACIVSA-N 1 1 336.436 0.366 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(F)nc1 ZINC001267162711 836880420 /nfs/dbraw/zinc/88/04/20/836880420.db2.gz HTYCQAIFNUYCPF-AWEZNQCLSA-N 1 1 347.394 0.835 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CCOC1 ZINC001267163440 836881336 /nfs/dbraw/zinc/88/13/36/836881336.db2.gz UDUHRZMBIZYHIM-HOTGVXAUSA-N 1 1 335.448 0.523 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1csnn1 ZINC001267171601 836904449 /nfs/dbraw/zinc/90/44/49/836904449.db2.gz KSVADWQBCNBBQT-NSHDSACASA-N 1 1 336.421 0.152 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001267176568 836916849 /nfs/dbraw/zinc/91/68/49/836916849.db2.gz JTBRTMLGJHHLNP-ZDUSSCGKSA-N 1 1 332.404 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cnn3c2CCC3)C1=O ZINC001267199318 836967646 /nfs/dbraw/zinc/96/76/46/836967646.db2.gz NEZBINWYNFUREP-HNNXBMFYSA-N 1 1 331.420 0.278 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cnn3c2CCC3)C1=O ZINC001267199318 836967655 /nfs/dbraw/zinc/96/76/55/836967655.db2.gz NEZBINWYNFUREP-HNNXBMFYSA-N 1 1 331.420 0.278 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001267213577 837002445 /nfs/dbraw/zinc/00/24/45/837002445.db2.gz QEKXIEHAGKJXDV-UONOGXRCSA-N 1 1 347.463 0.579 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001267213577 837002454 /nfs/dbraw/zinc/00/24/54/837002454.db2.gz QEKXIEHAGKJXDV-UONOGXRCSA-N 1 1 347.463 0.579 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C(N)=O)cc1 ZINC001267229805 837032412 /nfs/dbraw/zinc/03/24/12/837032412.db2.gz DPAYHYODFOGCIR-LBPRGKRZSA-N 1 1 332.404 0.138 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)cc1 ZINC001267229805 837032425 /nfs/dbraw/zinc/03/24/25/837032425.db2.gz DPAYHYODFOGCIR-LBPRGKRZSA-N 1 1 332.404 0.138 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1ccc(C)o1 ZINC001267235216 837042860 /nfs/dbraw/zinc/04/28/60/837042860.db2.gz XFWMOMBZCVIMCP-UHFFFAOYSA-N 1 1 336.392 0.652 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1ccc(C)o1 ZINC001267235216 837042869 /nfs/dbraw/zinc/04/28/69/837042869.db2.gz XFWMOMBZCVIMCP-UHFFFAOYSA-N 1 1 336.392 0.652 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cccc2[nH]cnc21 ZINC001267253967 837073489 /nfs/dbraw/zinc/07/34/89/837073489.db2.gz XQYCIPZILZLZAB-ZDUSSCGKSA-N 1 1 341.415 0.753 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cccc2[nH]cnc21 ZINC001267253967 837073500 /nfs/dbraw/zinc/07/35/00/837073500.db2.gz XQYCIPZILZLZAB-ZDUSSCGKSA-N 1 1 341.415 0.753 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001267268596 837105282 /nfs/dbraw/zinc/10/52/82/837105282.db2.gz BIWGWDQFVVJLST-AWEZNQCLSA-N 1 1 345.447 0.716 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001267268596 837105289 /nfs/dbraw/zinc/10/52/89/837105289.db2.gz BIWGWDQFVVJLST-AWEZNQCLSA-N 1 1 345.447 0.716 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccn(C)n1 ZINC001267268381 837107248 /nfs/dbraw/zinc/10/72/48/837107248.db2.gz ZKLPLSJXHCURQC-DZGCQCFKSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccn(C)n1 ZINC001267268381 837107253 /nfs/dbraw/zinc/10/72/53/837107253.db2.gz ZKLPLSJXHCURQC-DZGCQCFKSA-N 1 1 333.436 0.234 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001267276394 837120780 /nfs/dbraw/zinc/12/07/80/837120780.db2.gz MTTHHNVEBCXLMW-IXDOHACOSA-N 1 1 347.459 0.379 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001267276394 837120785 /nfs/dbraw/zinc/12/07/85/837120785.db2.gz MTTHHNVEBCXLMW-IXDOHACOSA-N 1 1 347.459 0.379 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001267276861 837122143 /nfs/dbraw/zinc/12/21/43/837122143.db2.gz QITNLUFFDRHJLY-ZBFHGGJFSA-N 1 1 345.447 0.244 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001267276861 837122151 /nfs/dbraw/zinc/12/21/51/837122151.db2.gz QITNLUFFDRHJLY-ZBFHGGJFSA-N 1 1 345.447 0.244 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001267280097 837126448 /nfs/dbraw/zinc/12/64/48/837126448.db2.gz QYSRBLCUZRHDBM-FZMZJTMJSA-N 1 1 332.404 0.624 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001267280097 837126458 /nfs/dbraw/zinc/12/64/58/837126458.db2.gz QYSRBLCUZRHDBM-FZMZJTMJSA-N 1 1 332.404 0.624 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2c(C)noc2C)C1 ZINC001267285143 837135368 /nfs/dbraw/zinc/13/53/68/837135368.db2.gz CMVDPTWVLKNEIH-TZMCWYRMSA-N 1 1 332.404 0.481 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001267291275 837142301 /nfs/dbraw/zinc/14/23/01/837142301.db2.gz CIOKHEXYWFVBCE-HNNXBMFYSA-N 1 1 341.477 0.264 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001267293669 837148104 /nfs/dbraw/zinc/14/81/04/837148104.db2.gz WTMJCOAUSFERBB-KBPBESRZSA-N 1 1 345.447 0.572 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccc3n[nH]nc32)C1 ZINC001267295039 837150920 /nfs/dbraw/zinc/15/09/20/837150920.db2.gz PKBSGBRPPFIUSN-GFCCVEGCSA-N 1 1 342.403 0.312 20 30 ECEDMO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001267300672 837163693 /nfs/dbraw/zinc/16/36/93/837163693.db2.gz RKHAGJTVODXEGQ-DLBZAZTESA-N 1 1 349.475 0.771 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001267303200 837169198 /nfs/dbraw/zinc/16/91/98/837169198.db2.gz LLCBSDUALALSIB-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C)nn2CC)C1 ZINC001267302950 837169491 /nfs/dbraw/zinc/16/94/91/837169491.db2.gz JBCIRIFWIJQXGE-CABCVRRESA-N 1 1 345.447 0.401 20 30 ECEDMO Cc1nc(C)c(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)s1 ZINC001267304836 837172315 /nfs/dbraw/zinc/17/23/15/837172315.db2.gz DBCPOTGWCVWTBR-GFCCVEGCSA-N 1 1 335.433 0.451 20 30 ECEDMO Cc1nc(C)c(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)s1 ZINC001267304836 837172323 /nfs/dbraw/zinc/17/23/23/837172323.db2.gz DBCPOTGWCVWTBR-GFCCVEGCSA-N 1 1 335.433 0.451 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCC)CCNC(=O)c2cnsn2)C1=O ZINC001267311472 837186656 /nfs/dbraw/zinc/18/66/56/837186656.db2.gz SCGVGXQYXBJIOS-CYBMUJFWSA-N 1 1 337.449 0.767 20 30 ECEDMO CCC[N@@H+](CCNC(=O)C#CC(C)C)CCN(C)S(C)(=O)=O ZINC001267313091 837188019 /nfs/dbraw/zinc/18/80/19/837188019.db2.gz YPEUEWOKBJODAP-UHFFFAOYSA-N 1 1 331.482 0.365 20 30 ECEDMO CC#CC[N@@H+](CCC)CCNC(=O)Cn1nc2ccccn2c1=O ZINC001267316144 837192140 /nfs/dbraw/zinc/19/21/40/837192140.db2.gz HFPTYVMGPATBDN-UHFFFAOYSA-N 1 1 329.404 0.348 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1ccnn1C(C)C)C1CC1 ZINC001267326285 837202871 /nfs/dbraw/zinc/20/28/71/837202871.db2.gz PMAHJKQHCDORKB-CQSZACIVSA-N 1 1 345.447 0.796 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1ccnn1C(C)C)C1CC1 ZINC001267326285 837202881 /nfs/dbraw/zinc/20/28/81/837202881.db2.gz PMAHJKQHCDORKB-CQSZACIVSA-N 1 1 345.447 0.796 20 30 ECEDMO O=C(NCC[N@H+](CC#Cc1ccccc1)C1CC1)C(=O)NCC(F)F ZINC001267328106 837208239 /nfs/dbraw/zinc/20/82/39/837208239.db2.gz LAFSTEBSEURYFS-UHFFFAOYSA-N 1 1 349.381 1.000 20 30 ECEDMO O=C(NCC[N@@H+](CC#Cc1ccccc1)C1CC1)C(=O)NCC(F)F ZINC001267328106 837208248 /nfs/dbraw/zinc/20/82/48/837208248.db2.gz LAFSTEBSEURYFS-UHFFFAOYSA-N 1 1 349.381 1.000 20 30 ECEDMO CC(C)c1ncncc1C(=O)NCC[N@H+](CC(=O)NCC#N)C1CC1 ZINC001267337872 837221355 /nfs/dbraw/zinc/22/13/55/837221355.db2.gz LGVGIFQUKYVGKZ-UHFFFAOYSA-N 1 1 344.419 0.434 20 30 ECEDMO CC(C)c1ncncc1C(=O)NCC[N@@H+](CC(=O)NCC#N)C1CC1 ZINC001267337872 837221363 /nfs/dbraw/zinc/22/13/63/837221363.db2.gz LGVGIFQUKYVGKZ-UHFFFAOYSA-N 1 1 344.419 0.434 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1cnc(C)[nH]1)c1ccccc1 ZINC001267352265 837239827 /nfs/dbraw/zinc/23/98/27/837239827.db2.gz ZJGNAYDVFPKILW-OAHLLOKOSA-N 1 1 339.399 0.528 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)c1ncc[nH]1)c1ccccc1 ZINC001267357613 837245896 /nfs/dbraw/zinc/24/58/96/837245896.db2.gz QEDOIUPZEZWCAF-DZGCQCFKSA-N 1 1 339.399 0.608 20 30 ECEDMO CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001267406205 837375312 /nfs/dbraw/zinc/37/53/12/837375312.db2.gz XRSKDFYFGPPUOV-MJBXVCDLSA-N 1 1 331.416 0.516 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnn(CC)n2)C1 ZINC001267580819 837842457 /nfs/dbraw/zinc/84/24/57/837842457.db2.gz DTFHFRDTGXBUSF-WMLDXEAASA-N 1 1 335.452 0.905 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cnn(CC)n2)C1 ZINC001267580819 837842465 /nfs/dbraw/zinc/84/24/65/837842465.db2.gz DTFHFRDTGXBUSF-WMLDXEAASA-N 1 1 335.452 0.905 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](C[N@@H+](C)CCN2C(=O)CCC2=O)C1 ZINC001267581956 837847231 /nfs/dbraw/zinc/84/72/31/837847231.db2.gz UQUAMPUKNIGXHM-OAHLLOKOSA-N 1 1 333.432 0.719 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001267583790 837852505 /nfs/dbraw/zinc/85/25/05/837852505.db2.gz SCQKRIRSXLBVGJ-ZDUSSCGKSA-N 1 1 332.404 0.590 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CCNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001267584681 837857030 /nfs/dbraw/zinc/85/70/30/837857030.db2.gz ZRDPXWXFHYLPFN-JTQLQIEISA-N 1 1 329.326 0.909 20 30 ECEDMO Cc1cc(C)c(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C2)[nH]1 ZINC001267584747 837858670 /nfs/dbraw/zinc/85/86/70/837858670.db2.gz HUEYEPRWCHBYJI-AWEZNQCLSA-N 1 1 331.420 0.665 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001267594219 837894490 /nfs/dbraw/zinc/89/44/90/837894490.db2.gz BDOYDMRUTCSFLC-IAGOWNOFSA-N 1 1 349.475 0.723 20 30 ECEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC001267594875 837896193 /nfs/dbraw/zinc/89/61/93/837896193.db2.gz CFTFHEOSSBWBOA-MRXNPFEDSA-N 1 1 337.464 0.982 20 30 ECEDMO CC#CC[N@@H+](C)CC1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC001267599476 837912626 /nfs/dbraw/zinc/91/26/26/837912626.db2.gz PXJXOIOAXSGKPQ-UHFFFAOYSA-N 1 1 329.466 0.119 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)c2cnon2)CC1 ZINC001267602637 837927279 /nfs/dbraw/zinc/92/72/79/837927279.db2.gz ICBXCMCXTYUCHT-LBPRGKRZSA-N 1 1 335.408 0.544 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCC[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001267605077 837939898 /nfs/dbraw/zinc/93/98/98/837939898.db2.gz KYROMPGKNGVQMA-KBPBESRZSA-N 1 1 340.468 0.459 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267625689 838073589 /nfs/dbraw/zinc/07/35/89/838073589.db2.gz BBRZJHWMZJKLMX-JKSUJKDBSA-N 1 1 334.464 0.189 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC001267626705 838076528 /nfs/dbraw/zinc/07/65/28/838076528.db2.gz YRYYGAALJZFZMH-ZIAGYGMSSA-N 1 1 332.404 0.515 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCCN(CC(=O)NCC#N)C1 ZINC001267627856 838080157 /nfs/dbraw/zinc/08/01/57/838080157.db2.gz IRNXTGLRGYBGEH-GJZGRUSLSA-N 1 1 335.452 0.081 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001267627601 838080370 /nfs/dbraw/zinc/08/03/70/838080370.db2.gz AVLTVLPHNCOMQK-HOCLYGCPSA-N 1 1 347.463 0.542 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001267627601 838080382 /nfs/dbraw/zinc/08/03/82/838080382.db2.gz AVLTVLPHNCOMQK-HOCLYGCPSA-N 1 1 347.463 0.542 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)COc2cc(C)on2)C1 ZINC001267627699 838080645 /nfs/dbraw/zinc/08/06/45/838080645.db2.gz JHUNCVUGTBYLDR-KBPBESRZSA-N 1 1 348.403 0.080 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)COc2cc(C)on2)C1 ZINC001267627699 838080659 /nfs/dbraw/zinc/08/06/59/838080659.db2.gz JHUNCVUGTBYLDR-KBPBESRZSA-N 1 1 348.403 0.080 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](C[N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC001267632808 838093465 /nfs/dbraw/zinc/09/34/65/838093465.db2.gz QKTGZHWJPBNBQR-MRXNPFEDSA-N 1 1 333.432 0.868 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001267634095 838100536 /nfs/dbraw/zinc/10/05/36/838100536.db2.gz DYZIFVPJTXOMSJ-HNNXBMFYSA-N 1 1 346.431 0.572 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001267634095 838100544 /nfs/dbraw/zinc/10/05/44/838100544.db2.gz DYZIFVPJTXOMSJ-HNNXBMFYSA-N 1 1 346.431 0.572 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001267658784 838174817 /nfs/dbraw/zinc/17/48/17/838174817.db2.gz RLLLNBIQGPNTAH-INMHGKMJSA-N 1 1 335.448 0.331 20 30 ECEDMO CS(=O)(=O)NCCC(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001267681742 838240858 /nfs/dbraw/zinc/24/08/58/838240858.db2.gz FRIVQHMYTLAUSI-UHFFFAOYSA-N 1 1 349.456 0.025 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001267682606 838243230 /nfs/dbraw/zinc/24/32/30/838243230.db2.gz CEOZINXNBIBNSW-UKRRQHHQSA-N 1 1 347.463 0.566 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001267683507 838244841 /nfs/dbraw/zinc/24/48/41/838244841.db2.gz MITUKLIPEVOILX-KRWDZBQOSA-N 1 1 347.459 0.333 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001267689527 838260001 /nfs/dbraw/zinc/26/00/01/838260001.db2.gz FKYSLEJORKXRCG-AWEZNQCLSA-N 1 1 330.432 0.768 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cc2cnn(CC)c2)C1 ZINC001267696148 838284852 /nfs/dbraw/zinc/28/48/52/838284852.db2.gz PUVVERLMVLJSIJ-ZDUSSCGKSA-N 1 1 333.436 0.184 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC1C[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC001267697364 838290844 /nfs/dbraw/zinc/29/08/44/838290844.db2.gz ILPBIKCJCCZLHT-SFHVURJKSA-N 1 1 339.439 0.879 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001267724805 838387263 /nfs/dbraw/zinc/38/72/63/838387263.db2.gz NRURBXFUPMVHQQ-WBVHZDCISA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001267725572 838394107 /nfs/dbraw/zinc/39/41/07/838394107.db2.gz SGKGDJDZVZNWQB-WFASDCNBSA-N 1 1 332.379 0.092 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001267725572 838394113 /nfs/dbraw/zinc/39/41/13/838394113.db2.gz SGKGDJDZVZNWQB-WFASDCNBSA-N 1 1 332.379 0.092 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001267725598 838394255 /nfs/dbraw/zinc/39/42/55/838394255.db2.gz TVZYDZGWHWGYRG-LSDHHAIUSA-N 1 1 348.447 0.851 20 30 ECEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001267731366 838419188 /nfs/dbraw/zinc/41/91/88/838419188.db2.gz ZLZMNYKXJSDNAI-AWEZNQCLSA-N 1 1 343.493 0.815 20 30 ECEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001267731366 838419190 /nfs/dbraw/zinc/41/91/90/838419190.db2.gz ZLZMNYKXJSDNAI-AWEZNQCLSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CC[N@H+](C)CC1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001267740080 838439845 /nfs/dbraw/zinc/43/98/45/838439845.db2.gz SPLSXCDKYKYTBS-UHFFFAOYSA-N 1 1 339.403 0.475 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267740595 838440764 /nfs/dbraw/zinc/44/07/64/838440764.db2.gz LZYUTXHDZRWYFU-DZGCQCFKSA-N 1 1 348.447 0.747 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267740595 838440771 /nfs/dbraw/zinc/44/07/71/838440771.db2.gz LZYUTXHDZRWYFU-DZGCQCFKSA-N 1 1 348.447 0.747 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001267749019 838463508 /nfs/dbraw/zinc/46/35/08/838463508.db2.gz GNAIFVDECMSECH-NWDGAFQWSA-N 1 1 348.403 0.291 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001267749019 838463512 /nfs/dbraw/zinc/46/35/12/838463512.db2.gz GNAIFVDECMSECH-NWDGAFQWSA-N 1 1 348.403 0.291 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)/C=C(\C)C2CC2)C1 ZINC001267758615 838483261 /nfs/dbraw/zinc/48/32/61/838483261.db2.gz LHRIXWVTWAXYPJ-NRMKIYEFSA-N 1 1 348.447 0.887 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)/C=C(\C)C2CC2)C1 ZINC001267758615 838483267 /nfs/dbraw/zinc/48/32/67/838483267.db2.gz LHRIXWVTWAXYPJ-NRMKIYEFSA-N 1 1 348.447 0.887 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001267761075 838488534 /nfs/dbraw/zinc/48/85/34/838488534.db2.gz ANROLJYKYIKSKC-KBPBESRZSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001267761075 838488536 /nfs/dbraw/zinc/48/85/36/838488536.db2.gz ANROLJYKYIKSKC-KBPBESRZSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnnc(C)c2)C1 ZINC001267762266 838489712 /nfs/dbraw/zinc/48/97/12/838489712.db2.gz DYQSVBDJHUOCPC-HIFRSBDPSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnnc(C)c2)C1 ZINC001267762266 838489713 /nfs/dbraw/zinc/48/97/13/838489713.db2.gz DYQSVBDJHUOCPC-HIFRSBDPSA-N 1 1 329.404 0.069 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001408819994 838524197 /nfs/dbraw/zinc/52/41/97/838524197.db2.gz KWQWZMGSWUVYCW-AWEZNQCLSA-N 1 1 331.420 0.949 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001267777148 838542946 /nfs/dbraw/zinc/54/29/46/838542946.db2.gz JOWGLDASSPCJND-HZPDHXFCSA-N 1 1 345.447 0.331 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001267777148 838542952 /nfs/dbraw/zinc/54/29/52/838542952.db2.gz JOWGLDASSPCJND-HZPDHXFCSA-N 1 1 345.447 0.331 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)CCn2cccn2)C1 ZINC001267779935 838552024 /nfs/dbraw/zinc/55/20/24/838552024.db2.gz HSIGGEDZICPPJH-HZPDHXFCSA-N 1 1 347.463 0.887 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CCn2cccn2)C1 ZINC001267779935 838552028 /nfs/dbraw/zinc/55/20/28/838552028.db2.gz HSIGGEDZICPPJH-HZPDHXFCSA-N 1 1 347.463 0.887 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cncnc2)C1 ZINC001267782711 838558382 /nfs/dbraw/zinc/55/83/82/838558382.db2.gz BHPMQVTXCZTEAD-ZFWWWQNUSA-N 1 1 329.404 0.151 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cncnc2)C1 ZINC001267782711 838558388 /nfs/dbraw/zinc/55/83/88/838558388.db2.gz BHPMQVTXCZTEAD-ZFWWWQNUSA-N 1 1 329.404 0.151 20 30 ECEDMO C#CCCCC(=O)N(CC)[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001267784044 838558421 /nfs/dbraw/zinc/55/84/21/838558421.db2.gz NDHLIBGYAFZNBY-HNNXBMFYSA-N 1 1 348.447 0.655 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2cnn(C)c2C)C1 ZINC001267786114 838562327 /nfs/dbraw/zinc/56/23/27/838562327.db2.gz JIWAIEDBGHODAQ-INIZCTEOSA-N 1 1 347.463 0.496 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2cnn(C)c2C)C1 ZINC001267786114 838562330 /nfs/dbraw/zinc/56/23/30/838562330.db2.gz JIWAIEDBGHODAQ-INIZCTEOSA-N 1 1 347.463 0.496 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CN2CCCS2(=O)=O)C1 ZINC001267787062 838563803 /nfs/dbraw/zinc/56/38/03/838563803.db2.gz UYFWHRDUPAOHIV-AWEZNQCLSA-N 1 1 329.466 0.521 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H](CC)CNC(=O)c2[nH]nc3c2CCC3)C1=O ZINC001267810732 838592086 /nfs/dbraw/zinc/59/20/86/838592086.db2.gz LSOYDQYCKTVERJ-IUODEOHRSA-N 1 1 345.447 0.783 20 30 ECEDMO CCCN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408863959 838833018 /nfs/dbraw/zinc/83/30/18/838833018.db2.gz ABRGFXGDJVDVNU-CYBMUJFWSA-N 1 1 331.420 0.806 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC001267972530 838902234 /nfs/dbraw/zinc/90/22/34/838902234.db2.gz JUNMQOSWPRQYMI-UHFFFAOYSA-N 1 1 341.415 0.649 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H](C)CO1)CC2 ZINC001267973587 838904552 /nfs/dbraw/zinc/90/45/52/838904552.db2.gz UUVNYHDYCURYAM-JKSUJKDBSA-N 1 1 347.459 0.475 20 30 ECEDMO CC1(C)CO[C@@H](C[N@@H+]2CCO[C@H](CNC(=O)CSCC#N)C2)C1 ZINC001268016999 838981843 /nfs/dbraw/zinc/98/18/43/838981843.db2.gz HYTXGLMQGKVXNJ-ZIAGYGMSSA-N 1 1 341.477 0.875 20 30 ECEDMO CC1(C)CO[C@@H](C[N@H+]2CCO[C@H](CNC(=O)CSCC#N)C2)C1 ZINC001268016999 838981846 /nfs/dbraw/zinc/98/18/46/838981846.db2.gz HYTXGLMQGKVXNJ-ZIAGYGMSSA-N 1 1 341.477 0.875 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)NC(=O)NCCC)C1 ZINC001268029516 839046637 /nfs/dbraw/zinc/04/66/37/839046637.db2.gz VWBPNGICTYYKOA-AWEZNQCLSA-N 1 1 340.468 0.867 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)NC(=O)NCCC)C1 ZINC001268029516 839046644 /nfs/dbraw/zinc/04/66/44/839046644.db2.gz VWBPNGICTYYKOA-AWEZNQCLSA-N 1 1 340.468 0.867 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 ZINC001268030321 839050714 /nfs/dbraw/zinc/05/07/14/839050714.db2.gz PAJDLZQTPBBNTI-ZIAGYGMSSA-N 1 1 340.468 0.853 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 ZINC001268030320 839050770 /nfs/dbraw/zinc/05/07/70/839050770.db2.gz PAJDLZQTPBBNTI-UONOGXRCSA-N 1 1 340.468 0.853 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)c1csnn1)CC2 ZINC001268045259 839207253 /nfs/dbraw/zinc/20/72/53/839207253.db2.gz WPFKQAQRJNEZCQ-LBPRGKRZSA-N 1 1 349.460 0.767 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)c1csnn1)CC2 ZINC001268045258 839207276 /nfs/dbraw/zinc/20/72/76/839207276.db2.gz WPFKQAQRJNEZCQ-GFCCVEGCSA-N 1 1 349.460 0.767 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2n[nH]cc21 ZINC001268076914 839274463 /nfs/dbraw/zinc/27/44/63/839274463.db2.gz HNTJGCDZEIQAER-GFCCVEGCSA-N 1 1 327.388 0.362 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000981006264 839315023 /nfs/dbraw/zinc/31/50/23/839315023.db2.gz RNTYVVRRWFENIO-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000981006264 839315038 /nfs/dbraw/zinc/31/50/38/839315038.db2.gz RNTYVVRRWFENIO-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)n1cnc(C#N)n1 ZINC000428547596 210267642 /nfs/dbraw/zinc/26/76/42/210267642.db2.gz MMECAWDHBXTAFP-IUODEOHRSA-N 1 1 340.387 0.916 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc(C#N)o2)CC1=O ZINC000425321183 210039944 /nfs/dbraw/zinc/03/99/44/210039944.db2.gz RKLKLMDAPUYUMM-LBPRGKRZSA-N 1 1 334.376 0.060 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)[C@H]2C1 ZINC000329560658 283061401 /nfs/dbraw/zinc/06/14/01/283061401.db2.gz RIDDWHUXUASRLX-MCIONIFRSA-N 1 1 344.481 0.350 20 30 ECEDMO N#Cc1cccnc1N1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111682316 220178744 /nfs/dbraw/zinc/17/87/44/220178744.db2.gz XCZJYJLQNGFLKA-OAHLLOKOSA-N 1 1 329.404 0.059 20 30 ECEDMO COC(=O)[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CC[N@H+](C)C1 ZINC000416575320 284399414 /nfs/dbraw/zinc/39/94/14/284399414.db2.gz AOAPBOTVHYTZRX-LBPRGKRZSA-N 1 1 331.438 0.293 20 30 ECEDMO COC(=O)[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CC[N@@H+](C)C1 ZINC000416575320 284399417 /nfs/dbraw/zinc/39/94/17/284399417.db2.gz AOAPBOTVHYTZRX-LBPRGKRZSA-N 1 1 331.438 0.293 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)NCC[N@H+](C)CCCOC)c1 ZINC000266574510 248366541 /nfs/dbraw/zinc/36/65/41/248366541.db2.gz AJMKANYKUKHRNN-UHFFFAOYSA-N 1 1 347.415 0.722 20 30 ECEDMO CC[C@@H](CO)[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000451153356 211363752 /nfs/dbraw/zinc/36/37/52/211363752.db2.gz FLRONOBEXZCMHG-ZDUSSCGKSA-N 1 1 335.408 0.206 20 30 ECEDMO C[C@](O)(CNC(=O)Nc1ccc(F)cc1C#N)C[NH+]1CCOCC1 ZINC000435163900 210618003 /nfs/dbraw/zinc/61/80/03/210618003.db2.gz APSAGKCQJDKALE-INIZCTEOSA-N 1 1 336.367 0.902 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373413739 269822910 /nfs/dbraw/zinc/82/29/10/269822910.db2.gz SNQWGJDWYKDZFD-JTQLQIEISA-N 1 1 331.380 0.163 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000177524745 263153657 /nfs/dbraw/zinc/15/36/57/263153657.db2.gz OKIREXYXBSPXEJ-UHFFFAOYSA-N 1 1 344.415 0.720 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272814241 263377023 /nfs/dbraw/zinc/37/70/23/263377023.db2.gz LQAFTWXMZYUMLA-JKSUJKDBSA-N 1 1 342.399 0.500 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272814241 263377024 /nfs/dbraw/zinc/37/70/24/263377024.db2.gz LQAFTWXMZYUMLA-JKSUJKDBSA-N 1 1 342.399 0.500 20 30 ECEDMO C[N@H+]1CCN(CCNS(=O)(=O)c2cccnc2C#N)CC1(C)C ZINC000282455754 264045784 /nfs/dbraw/zinc/04/57/84/264045784.db2.gz HMVQGDGCMOEFOQ-UHFFFAOYSA-N 1 1 337.449 0.258 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(O)(C(N)=O)CC3)C2=O)cc1 ZINC000284234656 264188394 /nfs/dbraw/zinc/18/83/94/264188394.db2.gz KKVDXNDKTYESOG-HNNXBMFYSA-N 1 1 342.399 0.366 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000284428540 264212390 /nfs/dbraw/zinc/21/23/90/264212390.db2.gz YJGMKMIJPSGTDZ-KBPBESRZSA-N 1 1 344.371 0.854 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000284428540 264212391 /nfs/dbraw/zinc/21/23/91/264212391.db2.gz YJGMKMIJPSGTDZ-KBPBESRZSA-N 1 1 344.371 0.854 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000365015147 270007238 /nfs/dbraw/zinc/00/72/38/270007238.db2.gz GBDTYMGRUCEZTQ-IAGOWNOFSA-N 1 1 349.456 0.919 20 30 ECEDMO N#Cc1ncn(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)n1 ZINC000507269069 270007941 /nfs/dbraw/zinc/00/79/41/270007941.db2.gz VPLHJPOQNMLBMY-LBPRGKRZSA-N 1 1 349.192 0.728 20 30 ECEDMO C[C@@H]1[C@@H](N2CCOCC2)CC[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352036528 267105133 /nfs/dbraw/zinc/10/51/33/267105133.db2.gz HIRQXDUVQPJMHM-XOKHGSTOSA-N 1 1 328.416 0.880 20 30 ECEDMO C[C@@H]1[C@@H](N2CCOCC2)CC[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352036528 267105136 /nfs/dbraw/zinc/10/51/36/267105136.db2.gz HIRQXDUVQPJMHM-XOKHGSTOSA-N 1 1 328.416 0.880 20 30 ECEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000343636851 267199911 /nfs/dbraw/zinc/19/99/11/267199911.db2.gz RJZRJNGYUQMPLR-KSSFIOAISA-N 1 1 347.415 0.525 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000532240234 267335390 /nfs/dbraw/zinc/33/53/90/267335390.db2.gz OENDWDHZSIOUIX-QGZVFWFLSA-N 1 1 340.427 0.866 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000368908723 268031391 /nfs/dbraw/zinc/03/13/91/268031391.db2.gz DBCUXHDOBVEHRI-JKSUJKDBSA-N 1 1 342.399 0.267 20 30 ECEDMO N#Cc1cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)ccc1C(F)(F)F ZINC000528054572 268191352 /nfs/dbraw/zinc/19/13/52/268191352.db2.gz QLHKOMOUBVDAHQ-JTQLQIEISA-N 1 1 349.334 0.844 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC000287710109 268200538 /nfs/dbraw/zinc/20/05/38/268200538.db2.gz FZTAEPPGILFCRN-LBPRGKRZSA-N 1 1 327.406 0.666 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000528455721 268297633 /nfs/dbraw/zinc/29/76/33/268297633.db2.gz JXVUTPYKYIJMRN-AWEZNQCLSA-N 1 1 326.356 0.852 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000329243810 277102394 /nfs/dbraw/zinc/10/23/94/277102394.db2.gz TXQKTKVCUCFILT-ZBFHGGJFSA-N 1 1 326.441 0.028 20 30 ECEDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000330698338 278097373 /nfs/dbraw/zinc/09/73/73/278097373.db2.gz DUCUDSYYATUULS-UKRRQHHQSA-N 1 1 340.468 0.736 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCNC(=O)N(C)C ZINC000330687971 278139066 /nfs/dbraw/zinc/13/90/66/278139066.db2.gz CPPSGODYFASFAY-VXGBXAGGSA-N 1 1 327.429 0.556 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CCNC(=O)N(C)C ZINC000330687971 278139068 /nfs/dbraw/zinc/13/90/68/278139068.db2.gz CPPSGODYFASFAY-VXGBXAGGSA-N 1 1 327.429 0.556 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000329422776 279267857 /nfs/dbraw/zinc/26/78/57/279267857.db2.gz HQAIIPWOKMXSBD-WBMJQRKESA-N 1 1 337.424 0.605 20 30 ECEDMO Cc1cc(C#N)ccc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000340241433 437614861 /nfs/dbraw/zinc/61/48/61/437614861.db2.gz CTJYVUATMDZZEU-UHFFFAOYSA-N 1 1 344.459 0.987 20 30 ECEDMO C=C(C)COCCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000354455696 437619957 /nfs/dbraw/zinc/61/99/57/437619957.db2.gz GSJRLNCUGPCUML-HNNXBMFYSA-N 1 1 340.468 0.821 20 30 ECEDMO COCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)N(C)C ZINC000072518382 436046076 /nfs/dbraw/zinc/04/60/76/436046076.db2.gz VKVOSBMHXRZIDJ-UHFFFAOYSA-N 1 1 332.404 0.923 20 30 ECEDMO COCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)N(C)C ZINC000072518382 436046080 /nfs/dbraw/zinc/04/60/80/436046080.db2.gz VKVOSBMHXRZIDJ-UHFFFAOYSA-N 1 1 332.404 0.923 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)ccc1F ZINC000077537525 436242823 /nfs/dbraw/zinc/24/28/23/436242823.db2.gz SRQPFWRDCBDSSX-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO Cc1nc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1C#N ZINC000076459559 436208491 /nfs/dbraw/zinc/20/84/91/436208491.db2.gz MSCOTCWPERVBPF-CQSZACIVSA-N 1 1 329.404 0.579 20 30 ECEDMO CN(C)C(=O)C[N@@H+]1CCCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000029845435 436210881 /nfs/dbraw/zinc/21/08/81/436210881.db2.gz YXYQGFIVFABHLZ-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000029845435 436210886 /nfs/dbraw/zinc/21/08/86/436210886.db2.gz YXYQGFIVFABHLZ-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO N#CCN1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000078112324 436261298 /nfs/dbraw/zinc/26/12/98/436261298.db2.gz DOIVHUSGJCDBHE-SFHVURJKSA-N 1 1 342.443 0.992 20 30 ECEDMO N#CCN1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000078112324 436261302 /nfs/dbraw/zinc/26/13/02/436261302.db2.gz DOIVHUSGJCDBHE-SFHVURJKSA-N 1 1 342.443 0.992 20 30 ECEDMO Cc1cccc(C[NH+]2CCN(C(=O)CN3CCOC[C@H]3C#N)CC2)c1 ZINC000081166341 436337740 /nfs/dbraw/zinc/33/77/40/436337740.db2.gz JUPAGMIPVSEKJH-GOSISDBHSA-N 1 1 342.443 0.864 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(C#N)cc3)CC2)C1 ZINC000081256933 436339950 /nfs/dbraw/zinc/33/99/50/436339950.db2.gz WBLBBPYELYUJPA-QGZVFWFLSA-N 1 1 328.416 0.928 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(C#N)cc3)CC2)C1 ZINC000081256933 436339955 /nfs/dbraw/zinc/33/99/55/436339955.db2.gz WBLBBPYELYUJPA-QGZVFWFLSA-N 1 1 328.416 0.928 20 30 ECEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083245862 436371106 /nfs/dbraw/zinc/37/11/06/436371106.db2.gz BTUHNQQEBBBYIX-HOCLYGCPSA-N 1 1 346.431 0.510 20 30 ECEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083245862 436371109 /nfs/dbraw/zinc/37/11/09/436371109.db2.gz BTUHNQQEBBBYIX-HOCLYGCPSA-N 1 1 346.431 0.510 20 30 ECEDMO C#CCN(C(=O)NCC[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000091210566 436444124 /nfs/dbraw/zinc/44/41/24/436444124.db2.gz CUAMSAAFKYMRRS-HNNXBMFYSA-N 1 1 341.477 0.550 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000091588872 436455477 /nfs/dbraw/zinc/45/54/77/436455477.db2.gz YFBOQCHRHFZQAE-CVEARBPZSA-N 1 1 349.479 0.266 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000051557629 436492460 /nfs/dbraw/zinc/49/24/60/436492460.db2.gz KSOIRIWARCZLMH-CQSZACIVSA-N 1 1 336.436 0.723 20 30 ECEDMO COC[C@@H](C)NC(=[NH2+])NCCN1CCN(Cc2ccccc2)CC1 ZINC000104155576 436557109 /nfs/dbraw/zinc/55/71/09/436557109.db2.gz DPZZKDDRLPXJIR-MRXNPFEDSA-N 1 1 333.480 0.743 20 30 ECEDMO CCN(CCC#N)C(=O)CN1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104720523 436560661 /nfs/dbraw/zinc/56/06/61/436560661.db2.gz SCLDTGCCRMTOSY-UHFFFAOYSA-N 1 1 331.420 0.974 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000055209206 436569088 /nfs/dbraw/zinc/56/90/88/436569088.db2.gz WWHCZNYVAFJHGS-HNNXBMFYSA-N 1 1 349.456 0.812 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000547417677 302257254 /nfs/dbraw/zinc/25/72/54/302257254.db2.gz UTGIQURXDMABKI-QGZVFWFLSA-N 1 1 348.403 0.772 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)COc2ccccc2)CC1 ZINC000064442232 436649297 /nfs/dbraw/zinc/64/92/97/436649297.db2.gz MWXQKUYCALOIKP-UHFFFAOYSA-N 1 1 329.400 0.349 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)c(F)c1 ZINC000269314774 436658838 /nfs/dbraw/zinc/65/88/38/436658838.db2.gz GYKWDCCRODJELW-UHFFFAOYSA-N 1 1 336.392 0.801 20 30 ECEDMO C=CCCS(=O)(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000120482633 436689971 /nfs/dbraw/zinc/68/99/71/436689971.db2.gz LICMAJQANXBJMF-UHFFFAOYSA-N 1 1 343.493 0.768 20 30 ECEDMO C#CC[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000271699353 436694967 /nfs/dbraw/zinc/69/49/67/436694967.db2.gz MCRAYIIDNYNGRG-CYBMUJFWSA-N 1 1 340.383 0.203 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000151143699 436697535 /nfs/dbraw/zinc/69/75/35/436697535.db2.gz MZSOHFMKTUWOFS-HNNXBMFYSA-N 1 1 349.456 0.764 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000139749332 436666069 /nfs/dbraw/zinc/66/60/69/436666069.db2.gz TURRRFXFJZMWFQ-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000271194928 436679990 /nfs/dbraw/zinc/67/99/90/436679990.db2.gz YDDNIESGKYOOPD-UHFFFAOYSA-N 1 1 334.424 0.892 20 30 ECEDMO N#Cc1ccnc(N2CC[NH+](CCCN3C(=O)CNC3=O)CC2)c1 ZINC000066420375 436685148 /nfs/dbraw/zinc/68/51/48/436685148.db2.gz ZQQARGWWVQDAPU-UHFFFAOYSA-N 1 1 328.376 0.017 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000068272000 436740481 /nfs/dbraw/zinc/74/04/81/436740481.db2.gz NQDQXVDDERRIGO-MRXNPFEDSA-N 1 1 340.427 0.598 20 30 ECEDMO Cn1c(NCC[NH+]2Cc3ccccc3C2)c(C#N)c(=O)n(C)c1=O ZINC000068321563 436741050 /nfs/dbraw/zinc/74/10/50/436741050.db2.gz DAVCBIKOAHFJMX-UHFFFAOYSA-N 1 1 325.372 0.383 20 30 ECEDMO COCC[N@@H+](CCCN1C(=O)CNC1=O)Cc1ccc(C#N)cc1 ZINC000069071821 436761448 /nfs/dbraw/zinc/76/14/48/436761448.db2.gz WQNQTMFGMZQWFH-UHFFFAOYSA-N 1 1 330.388 0.949 20 30 ECEDMO CCC[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000155077506 436789309 /nfs/dbraw/zinc/78/93/09/436789309.db2.gz HXFOUAQZVHAHAX-UHFFFAOYSA-N 1 1 332.408 0.680 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000155333226 436792837 /nfs/dbraw/zinc/79/28/37/436792837.db2.gz ATEOVWRSFMNDLA-SJORKVTESA-N 1 1 341.411 0.976 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000155333226 436792842 /nfs/dbraw/zinc/79/28/42/436792842.db2.gz ATEOVWRSFMNDLA-SJORKVTESA-N 1 1 341.411 0.976 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000127401171 436801577 /nfs/dbraw/zinc/80/15/77/436801577.db2.gz NCNJDGABGYZCQM-AWEZNQCLSA-N 1 1 328.416 0.753 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293022739 436843888 /nfs/dbraw/zinc/84/38/88/436843888.db2.gz QVOAGZXRFSSKJN-ZFWWWQNUSA-N 1 1 334.424 0.415 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293022739 436843891 /nfs/dbraw/zinc/84/38/91/436843891.db2.gz QVOAGZXRFSSKJN-ZFWWWQNUSA-N 1 1 334.424 0.415 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000132024204 436859518 /nfs/dbraw/zinc/85/95/18/436859518.db2.gz ITFCEIJRUDPNCV-KMFMINBZSA-N 1 1 334.416 0.729 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000132024204 436859521 /nfs/dbraw/zinc/85/95/21/436859521.db2.gz ITFCEIJRUDPNCV-KMFMINBZSA-N 1 1 334.416 0.729 20 30 ECEDMO C#CCNC(=O)c1ccc(N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)nc1 ZINC000132006486 436860940 /nfs/dbraw/zinc/86/09/40/436860940.db2.gz KQJUETYDMPSOTJ-GASCZTMLSA-N 1 1 330.432 0.990 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@](C)(O)Cn2ccc(C)cc2=O)CC1 ZINC000280095235 436862833 /nfs/dbraw/zinc/86/28/33/436862833.db2.gz JLOLEHJLJWOCGO-GOSISDBHSA-N 1 1 331.416 0.075 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000293315458 436866121 /nfs/dbraw/zinc/86/61/21/436866121.db2.gz ILJCGOMCIGZVAV-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000249690479 436826701 /nfs/dbraw/zinc/82/67/01/436826701.db2.gz QODXDSRGKHSYOR-ZIAGYGMSSA-N 1 1 338.452 0.572 20 30 ECEDMO C#CC[N@H+](C)CCCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000292896645 436835900 /nfs/dbraw/zinc/83/59/00/436835900.db2.gz WKPOWJFYAGWSHH-UHFFFAOYSA-N 1 1 340.405 0.870 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000293487327 436880677 /nfs/dbraw/zinc/88/06/77/436880677.db2.gz WDEFHNLHEZEXOO-UHFFFAOYSA-N 1 1 346.435 0.793 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1nc(C(C)(C)C)ns1 ZINC000293520770 436884727 /nfs/dbraw/zinc/88/47/27/436884727.db2.gz YXPQMHMBDLZTHV-UHFFFAOYSA-N 1 1 337.449 0.845 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000161309408 436888289 /nfs/dbraw/zinc/88/82/89/436888289.db2.gz MKHHVSILNFEDKU-CYBMUJFWSA-N 1 1 333.436 0.736 20 30 ECEDMO C=CCOCCN1CC[N@H+](CCOCC=C)C[C@@H]1C(=O)N(C)C ZINC000293754002 436907076 /nfs/dbraw/zinc/90/70/76/436907076.db2.gz JCLMHLGJKKAUFT-MRXNPFEDSA-N 1 1 325.453 0.466 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281375219 436965299 /nfs/dbraw/zinc/96/52/99/436965299.db2.gz OSFHVDJMMKXGGH-YCPHGPKFSA-N 1 1 331.372 0.728 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000166199163 436938333 /nfs/dbraw/zinc/93/83/33/436938333.db2.gz AKFAOYYRFMZTKD-HZPDHXFCSA-N 1 1 349.456 0.845 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000166199163 436938336 /nfs/dbraw/zinc/93/83/36/436938336.db2.gz AKFAOYYRFMZTKD-HZPDHXFCSA-N 1 1 349.456 0.845 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@H](N2CC=CC2)C1 ZINC000262754850 436941508 /nfs/dbraw/zinc/94/15/08/436941508.db2.gz DCRJSSBGKXUDEE-HOTGVXAUSA-N 1 1 343.479 0.670 20 30 ECEDMO C[C@H]1CCCCN1CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264093741 437017657 /nfs/dbraw/zinc/01/76/57/437017657.db2.gz LXRKFLRZCQVCDA-HNNXBMFYSA-N 1 1 331.468 0.788 20 30 ECEDMO N#C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CCO1 ZINC000264423873 437027275 /nfs/dbraw/zinc/02/72/75/437027275.db2.gz VEWPNVKECOTGGF-SJORKVTESA-N 1 1 329.400 0.935 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000283482091 437028800 /nfs/dbraw/zinc/02/88/00/437028800.db2.gz HEMITMYCKGVWBU-MRXNPFEDSA-N 1 1 336.480 0.575 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)c1C#N ZINC000275906164 437029013 /nfs/dbraw/zinc/02/90/13/437029013.db2.gz KSKATQCWBFOYJP-UHFFFAOYSA-N 1 1 340.387 0.921 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=O ZINC000296782005 436998626 /nfs/dbraw/zinc/99/86/26/436998626.db2.gz QGFAWQYMGLWLGA-QWHCGFSZSA-N 1 1 327.425 0.591 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2cc(C)no2)CC1 ZINC000297041511 437002653 /nfs/dbraw/zinc/00/26/53/437002653.db2.gz WOIYNUKJERYBPE-UHFFFAOYSA-N 1 1 333.436 0.765 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000275722803 437004846 /nfs/dbraw/zinc/00/48/46/437004846.db2.gz IROCTYVUJZMDCS-UHFFFAOYSA-N 1 1 345.399 0.476 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000275722803 437004851 /nfs/dbraw/zinc/00/48/51/437004851.db2.gz IROCTYVUJZMDCS-UHFFFAOYSA-N 1 1 345.399 0.476 20 30 ECEDMO N#Cc1cccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000264555202 437045327 /nfs/dbraw/zinc/04/53/27/437045327.db2.gz DNDCTSKOEGSXKC-OAHLLOKOSA-N 1 1 329.404 0.697 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000173736568 437061067 /nfs/dbraw/zinc/06/10/67/437061067.db2.gz CZNRMLNRCDZSQU-DLBZAZTESA-N 1 1 328.416 0.726 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000173736568 437061070 /nfs/dbraw/zinc/06/10/70/437061070.db2.gz CZNRMLNRCDZSQU-DLBZAZTESA-N 1 1 328.416 0.726 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000264749386 437076541 /nfs/dbraw/zinc/07/65/41/437076541.db2.gz NOBAHFSQOVGOQQ-JFVSRZABSA-N 1 1 349.435 0.544 20 30 ECEDMO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000285241321 437077084 /nfs/dbraw/zinc/07/70/84/437077084.db2.gz BTIBNJGODRLDHH-HOTGVXAUSA-N 1 1 337.445 0.947 20 30 ECEDMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000285241321 437077089 /nfs/dbraw/zinc/07/70/89/437077089.db2.gz BTIBNJGODRLDHH-HOTGVXAUSA-N 1 1 337.445 0.947 20 30 ECEDMO C#CCNc1nc(NC2(CO)CCC2)[nH+]c(NC2(CO)CCC2)n1 ZINC000286398501 437091290 /nfs/dbraw/zinc/09/12/90/437091290.db2.gz ZKEDGYVBWWBXLY-UHFFFAOYSA-N 1 1 332.408 0.571 20 30 ECEDMO C#CCNc1nc(NC2(CO)CCC2)nc(NC2(CO)CCC2)[nH+]1 ZINC000286398501 437091293 /nfs/dbraw/zinc/09/12/93/437091293.db2.gz ZKEDGYVBWWBXLY-UHFFFAOYSA-N 1 1 332.408 0.571 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000305782781 437163698 /nfs/dbraw/zinc/16/36/98/437163698.db2.gz VQLSBEOPDVBPIX-GJZGRUSLSA-N 1 1 348.472 0.914 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276488353 437114855 /nfs/dbraw/zinc/11/48/55/437114855.db2.gz UQZFURBFXYBAPH-GUYCJALGSA-N 1 1 330.388 0.244 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276488353 437114859 /nfs/dbraw/zinc/11/48/59/437114859.db2.gz UQZFURBFXYBAPH-GUYCJALGSA-N 1 1 330.388 0.244 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001077981547 782065449 /nfs/dbraw/zinc/06/54/49/782065449.db2.gz SBNYQROFYHOJRK-HUUCEWRRSA-N 1 1 344.419 0.551 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000286750360 437126746 /nfs/dbraw/zinc/12/67/46/437126746.db2.gz GINVRVLUGCFGDP-TZMCWYRMSA-N 1 1 349.435 0.200 20 30 ECEDMO COCC[NH+]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000176995659 437164735 /nfs/dbraw/zinc/16/47/35/437164735.db2.gz MBVXVKPQICGTSM-AWEZNQCLSA-N 1 1 334.445 0.989 20 30 ECEDMO C[C@@H]1[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCS1(=O)=O ZINC000319213773 437200940 /nfs/dbraw/zinc/20/09/40/437200940.db2.gz HBQQOKAEUDSZIT-BXUZGUMPSA-N 1 1 342.442 0.497 20 30 ECEDMO CC(C)C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH+]1CCOCC1 ZINC000328810307 437267586 /nfs/dbraw/zinc/26/75/86/437267586.db2.gz AQKONROPFSPSFB-LBPRGKRZSA-N 1 1 338.408 0.537 20 30 ECEDMO C#CCC(CC#C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000277551640 437230705 /nfs/dbraw/zinc/23/07/05/437230705.db2.gz WGFIEOQOFGBZGX-UHFFFAOYSA-N 1 1 339.443 0.768 20 30 ECEDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000328691511 437252202 /nfs/dbraw/zinc/25/22/02/437252202.db2.gz DXAZFILURYKECK-HNNXBMFYSA-N 1 1 339.484 0.386 20 30 ECEDMO CC(C)(C(N)=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000266849735 437254083 /nfs/dbraw/zinc/25/40/83/437254083.db2.gz CNBHPLJFLVBILS-UHFFFAOYSA-N 1 1 343.431 0.768 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)CCC(=O)N2CCOCC2)CC1(C)C ZINC000328723991 437256628 /nfs/dbraw/zinc/25/66/28/437256628.db2.gz SNRLIHINXXRPDT-UHFFFAOYSA-N 1 1 340.468 0.608 20 30 ECEDMO CN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000179363562 437261331 /nfs/dbraw/zinc/26/13/31/437261331.db2.gz RJJYDNUFOUBRMS-UHFFFAOYSA-N 1 1 329.404 0.602 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000266895780 437261986 /nfs/dbraw/zinc/26/19/86/437261986.db2.gz FCDIOAQNALTXRP-UHFFFAOYSA-N 1 1 330.436 0.885 20 30 ECEDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000266906254 437262850 /nfs/dbraw/zinc/26/28/50/437262850.db2.gz IPDKOQLEGOCYLA-CYBMUJFWSA-N 1 1 348.407 0.898 20 30 ECEDMO C=CC[C@H]1[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CCCC1(C)C ZINC000277903250 437264291 /nfs/dbraw/zinc/26/42/91/437264291.db2.gz WVHPGNLRVSOLEI-CYBMUJFWSA-N 1 1 348.447 0.916 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C#N)c(C)n2)[C@@H](C)C1 ZINC000180825092 437303457 /nfs/dbraw/zinc/30/34/57/437303457.db2.gz KGERIMVGZVYIFZ-LBPRGKRZSA-N 1 1 330.388 0.971 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C#N)c(C)n2)[C@@H](C)C1 ZINC000180825092 437303462 /nfs/dbraw/zinc/30/34/62/437303462.db2.gz KGERIMVGZVYIFZ-LBPRGKRZSA-N 1 1 330.388 0.971 20 30 ECEDMO CCC[C@@H]1CN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC[N@@H+]1CCOC ZINC000329073994 437313204 /nfs/dbraw/zinc/31/32/04/437313204.db2.gz PCBFBLOLLXAFMJ-XDEPDNQISA-N 1 1 331.482 0.854 20 30 ECEDMO CCC[C@@H]1CN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC[N@H+]1CCOC ZINC000329073994 437313208 /nfs/dbraw/zinc/31/32/08/437313208.db2.gz PCBFBLOLLXAFMJ-XDEPDNQISA-N 1 1 331.482 0.854 20 30 ECEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000267302133 437317508 /nfs/dbraw/zinc/31/75/08/437317508.db2.gz KJBGIJSSEHPBIZ-QWHCGFSZSA-N 1 1 337.445 0.855 20 30 ECEDMO C#CC[N@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000267302133 437317510 /nfs/dbraw/zinc/31/75/10/437317510.db2.gz KJBGIJSSEHPBIZ-QWHCGFSZSA-N 1 1 337.445 0.855 20 30 ECEDMO C[C@@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)n1cnc(C#N)n1 ZINC000336968442 437320301 /nfs/dbraw/zinc/32/03/01/437320301.db2.gz MSNZVSLOZPCDSA-ZDUSSCGKSA-N 1 1 334.424 0.528 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000278041296 437274147 /nfs/dbraw/zinc/27/41/47/437274147.db2.gz CLDAINKLBDWCOC-GVDBMIGSSA-N 1 1 340.464 0.921 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@@H](C(N)=O)C2)C1 ZINC000328871715 437275010 /nfs/dbraw/zinc/27/50/10/437275010.db2.gz QGIXIJIIGYAAIB-CHWSQXEVSA-N 1 1 328.413 0.493 20 30 ECEDMO CNC(=O)c1ccn([C@H]2CCC[N@H+](CC(=O)NC(=O)NC3CC3)C2)n1 ZINC000328963021 437294988 /nfs/dbraw/zinc/29/49/88/437294988.db2.gz QXCAXGRCKSUSTA-LBPRGKRZSA-N 1 1 348.407 0.913 20 30 ECEDMO CNC(=O)c1ccn([C@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)n1 ZINC000328963021 437294993 /nfs/dbraw/zinc/29/49/93/437294993.db2.gz QXCAXGRCKSUSTA-LBPRGKRZSA-N 1 1 348.407 0.913 20 30 ECEDMO CCC(=O)N1CSC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329275668 437343876 /nfs/dbraw/zinc/34/38/76/437343876.db2.gz IUPWPQVJASCAOH-LBPRGKRZSA-N 1 1 342.465 0.419 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)[C@H]2C1 ZINC000329273170 437344650 /nfs/dbraw/zinc/34/46/50/437344650.db2.gz IVIYPJMWIUUDND-MJBXVCDLSA-N 1 1 344.481 0.208 20 30 ECEDMO Cc1cnn([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)c1 ZINC000329380387 437359380 /nfs/dbraw/zinc/35/93/80/437359380.db2.gz PVLBHKFFDLJUQI-HZPDHXFCSA-N 1 1 334.468 0.988 20 30 ECEDMO Cc1cnn([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)c1 ZINC000329380387 437359387 /nfs/dbraw/zinc/35/93/87/437359387.db2.gz PVLBHKFFDLJUQI-HZPDHXFCSA-N 1 1 334.468 0.988 20 30 ECEDMO C[C@H](C#N)CNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000182853592 437363995 /nfs/dbraw/zinc/36/39/95/437363995.db2.gz OQKVSEQEFJQOKB-CQSZACIVSA-N 1 1 335.452 0.732 20 30 ECEDMO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000329433450 437367165 /nfs/dbraw/zinc/36/71/65/437367165.db2.gz IYFOSFRLDKKEHD-QWHCGFSZSA-N 1 1 330.454 0.104 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000329425399 437367399 /nfs/dbraw/zinc/36/73/99/437367399.db2.gz IOBJMZKIQOTRPD-RSAASHCRSA-N 1 1 335.408 0.214 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCOc2cc(O)ccc2C1 ZINC000329429675 437368230 /nfs/dbraw/zinc/36/82/30/437368230.db2.gz JWXOWQVZXJINTE-AWEZNQCLSA-N 1 1 334.420 0.746 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000337066577 437325294 /nfs/dbraw/zinc/32/52/94/437325294.db2.gz KXXULMHREHKIQL-LSDHHAIUSA-N 1 1 345.513 0.186 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181952942 437332457 /nfs/dbraw/zinc/33/24/57/437332457.db2.gz BMEPLLHZKIGQMK-LBPRGKRZSA-N 1 1 325.434 0.890 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCNC(=O)C2)C[C@H]1C ZINC000329707578 437404231 /nfs/dbraw/zinc/40/42/31/437404231.db2.gz LSMUBSIEAQFPMD-KGLIPLIRSA-N 1 1 325.457 0.977 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1 ZINC000338370350 437406840 /nfs/dbraw/zinc/40/68/40/437406840.db2.gz NQLSGSFTHGZZHZ-QITLCBANSA-N 1 1 340.383 0.189 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1 ZINC000338370350 437406843 /nfs/dbraw/zinc/40/68/43/437406843.db2.gz NQLSGSFTHGZZHZ-QITLCBANSA-N 1 1 340.383 0.189 20 30 ECEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000329810382 437416120 /nfs/dbraw/zinc/41/61/20/437416120.db2.gz CJNRWWLIHBXNJR-KBPBESRZSA-N 1 1 346.497 0.596 20 30 ECEDMO O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329862151 437422396 /nfs/dbraw/zinc/42/23/96/437422396.db2.gz QWHMLWPPFXPORW-DZGCQCFKSA-N 1 1 333.436 0.835 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000329895150 437426999 /nfs/dbraw/zinc/42/69/99/437426999.db2.gz BRFVEQLCQLQYLL-KGLIPLIRSA-N 1 1 325.457 0.977 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000289104284 437383143 /nfs/dbraw/zinc/38/31/43/437383143.db2.gz HMEWCWQVOMSKAX-HZPDHXFCSA-N 1 1 335.429 0.793 20 30 ECEDMO O=C(NCCS(=O)(=O)N1CCSCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330232293 437471652 /nfs/dbraw/zinc/47/16/52/437471652.db2.gz RNSIUJPOBLUBFE-ZDUSSCGKSA-N 1 1 347.506 0.948 20 30 ECEDMO O=C(NCCS(=O)(=O)N1CCSCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330232293 437471656 /nfs/dbraw/zinc/47/16/56/437471656.db2.gz RNSIUJPOBLUBFE-ZDUSSCGKSA-N 1 1 347.506 0.948 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)[C@H](C)[C@@H](C)C2=O)C1 ZINC000330257848 437476627 /nfs/dbraw/zinc/47/66/27/437476627.db2.gz LXBUHSQPJGGGEB-MGPQQGTHSA-N 1 1 339.436 0.941 20 30 ECEDMO CC(=O)N1CCC[C@H](CNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000330006143 437444846 /nfs/dbraw/zinc/44/48/46/437444846.db2.gz CNYIQDKQFBGDSH-OAHLLOKOSA-N 1 1 326.441 0.471 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000330076252 437450279 /nfs/dbraw/zinc/45/02/79/437450279.db2.gz MFFPLYVNOYHBBU-WBVHZDCISA-N 1 1 348.447 0.925 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000186126156 437460549 /nfs/dbraw/zinc/46/05/49/437460549.db2.gz CWJCJHXJVXXWSQ-AWEZNQCLSA-N 1 1 348.428 0.143 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC(=O)N(CC)C2)CC1 ZINC000330161000 437461222 /nfs/dbraw/zinc/46/12/22/437461222.db2.gz RMKDTSNNJHFJAB-UHFFFAOYSA-N 1 1 339.440 0.853 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@H](C)c2nncn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000330183960 437466650 /nfs/dbraw/zinc/46/66/50/437466650.db2.gz IGIKRWCOVVFBOQ-MCIONIFRSA-N 1 1 336.440 0.833 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC[N@@H+]1C[C@H](C)O ZINC000330375694 437494871 /nfs/dbraw/zinc/49/48/71/437494871.db2.gz CZFGOEZQAVJCMA-MELADBBJSA-N 1 1 332.470 0.100 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC[N@H+]1C[C@H](C)O ZINC000330375694 437494875 /nfs/dbraw/zinc/49/48/75/437494875.db2.gz CZFGOEZQAVJCMA-MELADBBJSA-N 1 1 332.470 0.100 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339842138 437505902 /nfs/dbraw/zinc/50/59/02/437505902.db2.gz AXVFKFWRNRALDW-GFCCVEGCSA-N 1 1 325.390 0.308 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000339842138 437505905 /nfs/dbraw/zinc/50/59/05/437505905.db2.gz AXVFKFWRNRALDW-GFCCVEGCSA-N 1 1 325.390 0.308 20 30 ECEDMO C[C@H](CNC(=O)c1coc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000330479333 437524742 /nfs/dbraw/zinc/52/47/42/437524742.db2.gz LZMGBEYSHFPAFE-SNVBAGLBSA-N 1 1 331.394 0.200 20 30 ECEDMO CNC(=O)C1CCC(NC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000330479331 437524938 /nfs/dbraw/zinc/52/49/38/437524938.db2.gz LZAFDTYYWKLAIM-UHFFFAOYSA-N 1 1 326.441 0.469 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[N@H+](C)C1 ZINC000330531707 437542529 /nfs/dbraw/zinc/54/25/29/437542529.db2.gz HCAVGLACTSOSTA-BZSNNMDCSA-N 1 1 342.443 0.942 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[N@@H+](C)C1 ZINC000330531707 437542533 /nfs/dbraw/zinc/54/25/33/437542533.db2.gz HCAVGLACTSOSTA-BZSNNMDCSA-N 1 1 342.443 0.942 20 30 ECEDMO C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000340081931 437566345 /nfs/dbraw/zinc/56/63/45/437566345.db2.gz WHFIAPILFNADAR-HNNXBMFYSA-N 1 1 338.496 0.990 20 30 ECEDMO Cc1oc(S(N)(=O)=O)cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000330654192 437579188 /nfs/dbraw/zinc/57/91/88/437579188.db2.gz SBIDAHONWJRMJJ-UHFFFAOYSA-N 1 1 331.394 0.262 20 30 ECEDMO CC(C)[C@H]1CN(C(=O)C(=O)NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000340150134 437585633 /nfs/dbraw/zinc/58/56/33/437585633.db2.gz QMXUZGHNMMEEHY-MRXNPFEDSA-N 1 1 328.416 0.973 20 30 ECEDMO CC(C)[C@H]1CN(C(=O)C(=O)NCc2cccc(C#N)c2)CC[N@H+]1C ZINC000340150134 437585637 /nfs/dbraw/zinc/58/56/37/437585637.db2.gz QMXUZGHNMMEEHY-MRXNPFEDSA-N 1 1 328.416 0.973 20 30 ECEDMO CC(C)[C@H](C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000330911431 437647943 /nfs/dbraw/zinc/64/79/43/437647943.db2.gz GCAHJAMTANXCBG-GJZGRUSLSA-N 1 1 336.436 0.364 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000360973022 437651725 /nfs/dbraw/zinc/65/17/25/437651725.db2.gz RGILJFGCOPTTPU-IAGOWNOFSA-N 1 1 335.496 0.706 20 30 ECEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000354841588 437653241 /nfs/dbraw/zinc/65/32/41/437653241.db2.gz FDTZDYYNPSZIJH-ZDUSSCGKSA-N 1 1 348.451 1.511 20 30 ECEDMO C[C@@H]1C(=O)NCCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000330936444 437653491 /nfs/dbraw/zinc/65/34/91/437653491.db2.gz RZVBGUNQCTXKOA-VXGBXAGGSA-N 1 1 325.413 0.358 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000330965327 437660337 /nfs/dbraw/zinc/66/03/37/437660337.db2.gz DJBJGUJUWVSZMQ-IRXDYDNUSA-N 1 1 349.435 0.555 20 30 ECEDMO COC(=O)c1cn([C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000355034536 437663230 /nfs/dbraw/zinc/66/32/30/437663230.db2.gz GCDWADPHXGSOJW-NEPJUHHUSA-N 1 1 334.380 0.072 20 30 ECEDMO COC(=O)c1cn([C@H]2CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000355034536 437663231 /nfs/dbraw/zinc/66/32/31/437663231.db2.gz GCDWADPHXGSOJW-NEPJUHHUSA-N 1 1 334.380 0.072 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340501854 437675504 /nfs/dbraw/zinc/67/55/04/437675504.db2.gz VMFOLRNIEMQJJS-LZWOXQAQSA-N 1 1 335.448 0.684 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCN(CC)CC2)CC1 ZINC000343882634 437679910 /nfs/dbraw/zinc/67/99/10/437679910.db2.gz DYZFMFAAEQPFQT-UHFFFAOYSA-N 1 1 336.480 0.697 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000343918228 437696266 /nfs/dbraw/zinc/69/62/66/437696266.db2.gz VKDMBDATFKYQPH-PBHICJAKSA-N 1 1 325.453 0.919 20 30 ECEDMO CO[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(C)C ZINC000331144733 437696812 /nfs/dbraw/zinc/69/68/12/437696812.db2.gz SDRXEBQPKQXTPN-HUUCEWRRSA-N 1 1 340.468 0.810 20 30 ECEDMO C#CCNC(=O)CC[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000292763247 437718925 /nfs/dbraw/zinc/71/89/25/437718925.db2.gz JAWMWCQYAIJWPL-UHFFFAOYSA-N 1 1 337.445 0.345 20 30 ECEDMO CC(C)C[C@@H](CNC(=O)NCCn1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000343964116 437710126 /nfs/dbraw/zinc/71/01/26/437710126.db2.gz HQJYICYQJJUDEC-AWEZNQCLSA-N 1 1 349.439 0.196 20 30 ECEDMO COC[C@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[C@H]1CCCO1 ZINC000331235723 437723903 /nfs/dbraw/zinc/72/39/03/437723903.db2.gz KIHHCXJCAFCMQC-CBBWQLFWSA-N 1 1 329.441 0.481 20 30 ECEDMO COC(=O)C[C@@H]1CCCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000331244861 437726258 /nfs/dbraw/zinc/72/62/58/437726258.db2.gz ZZZGHRTYEXTMIB-ZDUSSCGKSA-N 1 1 340.424 0.092 20 30 ECEDMO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344114192 437732960 /nfs/dbraw/zinc/73/29/60/437732960.db2.gz MVSBYADPWYVBIB-CYBMUJFWSA-N 1 1 333.388 0.684 20 30 ECEDMO C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000345312357 437785793 /nfs/dbraw/zinc/78/57/93/437785793.db2.gz SGDNHUFBEFBGRD-CQSZACIVSA-N 1 1 329.466 0.789 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000345312357 437785800 /nfs/dbraw/zinc/78/58/00/437785800.db2.gz SGDNHUFBEFBGRD-CQSZACIVSA-N 1 1 329.466 0.789 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000370544301 437801152 /nfs/dbraw/zinc/80/11/52/437801152.db2.gz RIYOLXMCVJTJNZ-MRXNPFEDSA-N 1 1 343.431 0.711 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000370544301 437801153 /nfs/dbraw/zinc/80/11/53/437801153.db2.gz RIYOLXMCVJTJNZ-MRXNPFEDSA-N 1 1 343.431 0.711 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC[N@@H+](C)CCN(C)C ZINC000341621932 437876206 /nfs/dbraw/zinc/87/62/06/437876206.db2.gz JNVMQYWQEXUBEP-AWEZNQCLSA-N 1 1 333.502 0.186 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCN(C)CC[NH+](C)C ZINC000341621932 437876211 /nfs/dbraw/zinc/87/62/11/437876211.db2.gz JNVMQYWQEXUBEP-AWEZNQCLSA-N 1 1 333.502 0.186 20 30 ECEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CCC1 ZINC000347222764 437856102 /nfs/dbraw/zinc/85/61/02/437856102.db2.gz GJQCXXDRZYTGHC-SNVBAGLBSA-N 1 1 332.326 0.549 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000371322576 437920472 /nfs/dbraw/zinc/92/04/72/437920472.db2.gz ZZIZWIUTCWZZQJ-HIFRSBDPSA-N 1 1 335.452 0.161 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000357036142 437892815 /nfs/dbraw/zinc/89/28/15/437892815.db2.gz FXANLTNWMKXNCL-OWCLPIDISA-N 1 1 336.480 0.694 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2(C#N)CCOCC2)CC1=O ZINC000365344630 437897089 /nfs/dbraw/zinc/89/70/89/437897089.db2.gz YILJBARGMRIYIO-LSDHHAIUSA-N 1 1 348.447 0.508 20 30 ECEDMO CC(C)OCC[NH+]1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000347517331 437901607 /nfs/dbraw/zinc/90/16/07/437901607.db2.gz HKGHMJILZCJQGC-UHFFFAOYSA-N 1 1 335.452 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@H](C)O1 ZINC000371619879 437965500 /nfs/dbraw/zinc/96/55/00/437965500.db2.gz DLMGFOQLVAHARE-HLLBOEOZSA-N 1 1 349.479 0.867 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000425321273 438021254 /nfs/dbraw/zinc/02/12/54/438021254.db2.gz RQKULSNJAPTFLJ-PBHICJAKSA-N 1 1 325.453 0.884 20 30 ECEDMO CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[C@H]1C#N ZINC000372160837 438041889 /nfs/dbraw/zinc/04/18/89/438041889.db2.gz PVAUHMVKMYQUBX-OAHLLOKOSA-N 1 1 327.388 0.237 20 30 ECEDMO CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[C@H]1C#N ZINC000372160837 438041895 /nfs/dbraw/zinc/04/18/95/438041895.db2.gz PVAUHMVKMYQUBX-OAHLLOKOSA-N 1 1 327.388 0.237 20 30 ECEDMO C=CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372599223 438104515 /nfs/dbraw/zinc/10/45/15/438104515.db2.gz IZXXNLZMWHWTPC-MRXNPFEDSA-N 1 1 326.404 0.962 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000430389016 438111539 /nfs/dbraw/zinc/11/15/39/438111539.db2.gz ZBLKREAYKONVOJ-CVEARBPZSA-N 1 1 337.464 0.884 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)nn1CCC#N ZINC000349077277 438131098 /nfs/dbraw/zinc/13/10/98/438131098.db2.gz CVGHBGXFJPHNSP-ZDUSSCGKSA-N 1 1 346.435 1.034 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000366830593 438135680 /nfs/dbraw/zinc/13/56/80/438135680.db2.gz RBKTVLDGERLQGX-MRXNPFEDSA-N 1 1 338.452 0.170 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000366830593 438135684 /nfs/dbraw/zinc/13/56/84/438135684.db2.gz RBKTVLDGERLQGX-MRXNPFEDSA-N 1 1 338.452 0.170 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000349836623 438183283 /nfs/dbraw/zinc/18/32/83/438183283.db2.gz SPLRTCMNFQPKMI-CQSZACIVSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](OC)C[C@@H]1CC(=O)OCC ZINC000373568962 438158891 /nfs/dbraw/zinc/15/88/91/438158891.db2.gz SIYMILCXPYYSHR-VXGBXAGGSA-N 1 1 327.381 0.041 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](OC)C[C@@H]1CC(=O)OCC ZINC000373568962 438158896 /nfs/dbraw/zinc/15/88/96/438158896.db2.gz SIYMILCXPYYSHR-VXGBXAGGSA-N 1 1 327.381 0.041 20 30 ECEDMO C[C@]1(C(N)=O)CCCCN1CC#CC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000367464995 438212008 /nfs/dbraw/zinc/21/20/08/438212008.db2.gz XCUYRJFRJQDHSV-HDICACEKSA-N 1 1 334.464 0.450 20 30 ECEDMO C[C@]1(C(N)=O)CCCCN1CC#CC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000367464995 438212011 /nfs/dbraw/zinc/21/20/11/438212011.db2.gz XCUYRJFRJQDHSV-HDICACEKSA-N 1 1 334.464 0.450 20 30 ECEDMO C[C@]1(C(N)=O)CCCC[N@H+]1CC#CCN1CCCC[C@@]1(C)C(N)=O ZINC000367464995 438212014 /nfs/dbraw/zinc/21/20/14/438212014.db2.gz XCUYRJFRJQDHSV-HDICACEKSA-N 1 1 334.464 0.450 20 30 ECEDMO C[C@]1(C(N)=O)CCCC[N@@H+]1CC#CCN1CCCC[C@@]1(C)C(N)=O ZINC000367464995 438212018 /nfs/dbraw/zinc/21/20/18/438212018.db2.gz XCUYRJFRJQDHSV-HDICACEKSA-N 1 1 334.464 0.450 20 30 ECEDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000375743927 438261568 /nfs/dbraw/zinc/26/15/68/438261568.db2.gz QEYVZHPPZSUMMG-MAUKXSAKSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N1CCOCC1 ZINC000375785754 438262804 /nfs/dbraw/zinc/26/28/04/438262804.db2.gz KUYTZEIPRURWJV-AWEZNQCLSA-N 1 1 325.409 0.612 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1COC(=O)N1CCOCC1 ZINC000375785754 438262809 /nfs/dbraw/zinc/26/28/09/438262809.db2.gz KUYTZEIPRURWJV-AWEZNQCLSA-N 1 1 325.409 0.612 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@](C)(C#N)COC)CC1=O ZINC000433973731 438274082 /nfs/dbraw/zinc/27/40/82/438274082.db2.gz YRDMUPRMTREPTP-VBQJREDUSA-N 1 1 336.436 0.364 20 30 ECEDMO N#CCNC(=O)CNC(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000377106017 438302445 /nfs/dbraw/zinc/30/24/45/438302445.db2.gz ISIDDJULYUYKNU-UHFFFAOYSA-N 1 1 347.394 0.683 20 30 ECEDMO N#CCNC(=O)CNC(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000377106017 438302451 /nfs/dbraw/zinc/30/24/51/438302451.db2.gz ISIDDJULYUYKNU-UHFFFAOYSA-N 1 1 347.394 0.683 20 30 ECEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000378301985 438373022 /nfs/dbraw/zinc/37/30/22/438373022.db2.gz RZLJLMQXOSHZPS-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000369123017 438426073 /nfs/dbraw/zinc/42/60/73/438426073.db2.gz WWUBSCKCLRNFGL-KBPBESRZSA-N 1 1 330.454 0.119 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000352570048 438443358 /nfs/dbraw/zinc/44/33/58/438443358.db2.gz BDHOHXKDJDCOKY-ZIAGYGMSSA-N 1 1 329.466 0.377 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000352570048 438443365 /nfs/dbraw/zinc/44/33/65/438443365.db2.gz BDHOHXKDJDCOKY-ZIAGYGMSSA-N 1 1 329.466 0.377 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000359262212 438395861 /nfs/dbraw/zinc/39/58/61/438395861.db2.gz LMCCTAIIIOUUMM-KFWWJZLASA-N 1 1 325.453 0.930 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000407976487 438476178 /nfs/dbraw/zinc/47/61/78/438476178.db2.gz UHLCZQDXCLMGBG-QWHCGFSZSA-N 1 1 332.470 0.242 20 30 ECEDMO CN(C)c1[nH+]cc(CNS(=O)(=O)CC2(C#N)CCCC2)n1C ZINC000352947560 438492236 /nfs/dbraw/zinc/49/22/36/438492236.db2.gz RCVYFGQSYQBRCI-UHFFFAOYSA-N 1 1 325.438 0.989 20 30 ECEDMO C[N@@H+](CCC(N)=O)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000353184446 438502828 /nfs/dbraw/zinc/50/28/28/438502828.db2.gz RDCCHEFRYOTERN-ZDUSSCGKSA-N 1 1 349.460 0.264 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](O)C3)CC2)o1 ZINC000408089913 438508476 /nfs/dbraw/zinc/50/84/76/438508476.db2.gz KSICAVZAEJJJJE-DOMZBBRYSA-N 1 1 347.419 0.206 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000440950039 438571835 /nfs/dbraw/zinc/57/18/35/438571835.db2.gz AKYOFRFSSGFBOU-TZMCWYRMSA-N 1 1 346.435 1.215 20 30 ECEDMO C[N@@H+](CCCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000440965159 438571864 /nfs/dbraw/zinc/57/18/64/438571864.db2.gz WSDIQTUHPZNKRH-CQSZACIVSA-N 1 1 336.461 0.771 20 30 ECEDMO CC1(C#N)CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000408358295 438561632 /nfs/dbraw/zinc/56/16/32/438561632.db2.gz FGXNMYACGXWUSJ-UHFFFAOYSA-N 1 1 328.420 0.751 20 30 ECEDMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccco1 ZINC000444595926 438663797 /nfs/dbraw/zinc/66/37/97/438663797.db2.gz XNEYJWJRBNWCOY-LBPRGKRZSA-N 1 1 344.375 0.747 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000447394006 438676653 /nfs/dbraw/zinc/67/66/53/438676653.db2.gz PNCYFCHFKCQOAA-HZPDHXFCSA-N 1 1 328.453 0.757 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000447394006 438676656 /nfs/dbraw/zinc/67/66/56/438676656.db2.gz PNCYFCHFKCQOAA-HZPDHXFCSA-N 1 1 328.453 0.757 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411965927 438683117 /nfs/dbraw/zinc/68/31/17/438683117.db2.gz KPMTVBHJGBBLOT-GOSISDBHSA-N 1 1 328.416 0.878 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)ccc1C#N ZINC000453717400 438690528 /nfs/dbraw/zinc/69/05/28/438690528.db2.gz FFUCLJFWPKPCPA-AWEZNQCLSA-N 1 1 329.404 0.999 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)ccc1C#N ZINC000453717400 438690530 /nfs/dbraw/zinc/69/05/30/438690530.db2.gz FFUCLJFWPKPCPA-AWEZNQCLSA-N 1 1 329.404 0.999 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413513881 438695007 /nfs/dbraw/zinc/69/50/07/438695007.db2.gz JBFGVRPSKPFNJZ-KFWWJZLASA-N 1 1 339.436 0.714 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413591677 438695301 /nfs/dbraw/zinc/69/53/01/438695301.db2.gz JCVJGFWPMFLOIO-MCIONIFRSA-N 1 1 325.409 0.466 20 30 ECEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000549159051 438735525 /nfs/dbraw/zinc/73/55/25/438735525.db2.gz PFOKMRLDIVYFSI-HNNXBMFYSA-N 1 1 339.399 0.792 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1F ZINC000451675152 438707975 /nfs/dbraw/zinc/70/79/75/438707975.db2.gz ZUSNVNJIGYNMIK-CYBMUJFWSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1F ZINC000451675152 438707976 /nfs/dbraw/zinc/70/79/76/438707976.db2.gz ZUSNVNJIGYNMIK-CYBMUJFWSA-N 1 1 341.408 0.822 20 30 ECEDMO C[NH+]1CCC(C#N)(NC(=O)c2cc(N3CCOCC3)ncn2)CC1 ZINC000601043225 438813966 /nfs/dbraw/zinc/81/39/66/438813966.db2.gz XKMMLZZTWLPFAK-UHFFFAOYSA-N 1 1 330.392 0.031 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000577198842 438823281 /nfs/dbraw/zinc/82/32/81/438823281.db2.gz BDHZFGNSCTVLIA-AWEZNQCLSA-N 1 1 344.415 0.606 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@](O)(C3CC3)C2)CC1 ZINC000595748637 438855704 /nfs/dbraw/zinc/85/57/04/438855704.db2.gz BPNWUCHFJZOOAF-PKOBYXMFSA-N 1 1 348.491 0.916 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000595619907 438835167 /nfs/dbraw/zinc/83/51/67/438835167.db2.gz BPABRSXYEQGQHZ-ZDUSSCGKSA-N 1 1 331.424 0.856 20 30 ECEDMO COC(=O)[C@@](C)(O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000588964545 438850974 /nfs/dbraw/zinc/85/09/74/438850974.db2.gz YXZHHWNEKBSCIZ-RDJZCZTQSA-N 1 1 335.379 0.932 20 30 ECEDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccccc1CC#N ZINC000601343405 438853720 /nfs/dbraw/zinc/85/37/20/438853720.db2.gz ORMGIFOQDGUCTO-CYBMUJFWSA-N 1 1 337.401 0.278 20 30 ECEDMO C=CCN(C(=O)[C@H]1CCn2c(C)[nH+]cc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000578182065 438903987 /nfs/dbraw/zinc/90/39/87/438903987.db2.gz VTCBIZSUQNBBIB-UONOGXRCSA-N 1 1 337.445 0.956 20 30 ECEDMO N#C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000563018569 438857775 /nfs/dbraw/zinc/85/77/75/438857775.db2.gz OMCRVEYQIDIKOY-XHSDSOJGSA-N 1 1 348.447 0.508 20 30 ECEDMO C=CCn1c(CC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000577664334 438861574 /nfs/dbraw/zinc/86/15/74/438861574.db2.gz MZRFIYCFXAVATO-AWEZNQCLSA-N 1 1 332.452 0.769 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)CC1 ZINC000595875563 438877053 /nfs/dbraw/zinc/87/70/53/438877053.db2.gz QUGFJYUJMYTTGG-XYJFISCASA-N 1 1 336.480 0.629 20 30 ECEDMO N#Cc1cccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000578320823 438914853 /nfs/dbraw/zinc/91/48/53/438914853.db2.gz DZUKRNOCGPYWDJ-GFCCVEGCSA-N 1 1 330.392 0.662 20 30 ECEDMO C[C@H](CNC(=O)N1CCN(CCC#N)CC1)CN1CC[NH+](C)CC1 ZINC000601579099 438936686 /nfs/dbraw/zinc/93/66/86/438936686.db2.gz BNXASLNRKCBNNE-MRXNPFEDSA-N 1 1 336.484 0.111 20 30 ECEDMO CCc1nc(C#N)cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)n1 ZINC000596229283 438945110 /nfs/dbraw/zinc/94/51/10/438945110.db2.gz ITEHTZHJTCLJQM-LQDVMPOASA-N 1 1 342.447 1.406 20 30 ECEDMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000602028774 438999490 /nfs/dbraw/zinc/99/94/90/438999490.db2.gz DUNOGERBSHFMDK-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602240122 439045861 /nfs/dbraw/zinc/04/58/61/439045861.db2.gz QOUVEDLXNYWCOF-CVEARBPZSA-N 1 1 349.479 0.281 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)cc1 ZINC000591634284 439041629 /nfs/dbraw/zinc/04/16/29/439041629.db2.gz TWBDDLBLFTVPIJ-BBWFWOEESA-N 1 1 349.456 0.965 20 30 ECEDMO C=CCN(Cc1noc(C[NH3+])n1)S(=O)(=O)c1ccc(OC)cc1 ZINC000567167294 439118808 /nfs/dbraw/zinc/11/88/08/439118808.db2.gz MORHWYZQSNQGIW-UHFFFAOYSA-N 1 1 338.389 0.914 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CNc1ccc(C#N)cn1 ZINC000580146601 439066796 /nfs/dbraw/zinc/06/67/96/439066796.db2.gz BGGHYGQCYCMPOE-AWEZNQCLSA-N 1 1 343.431 1.077 20 30 ECEDMO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cn1 ZINC000591723814 439075183 /nfs/dbraw/zinc/07/51/83/439075183.db2.gz BFRJLOBHJZNMHR-UHFFFAOYSA-N 1 1 332.385 0.920 20 30 ECEDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(CC#N)cc2)C1 ZINC000597348052 439081274 /nfs/dbraw/zinc/08/12/74/439081274.db2.gz WEZVLMASVAQMBH-INIZCTEOSA-N 1 1 328.416 0.969 20 30 ECEDMO N#Cc1cnn2cc(C[N@H+]3C[C@H](O)C[C@H]3[C@H]3CCCOC3)cnc12 ZINC000566737306 439085426 /nfs/dbraw/zinc/08/54/26/439085426.db2.gz GQUZJTIHFCMCCD-IMJJTQAJSA-N 1 1 327.388 0.963 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[C@](O)(CC#N)C2)CC1 ZINC000591968221 439124577 /nfs/dbraw/zinc/12/45/77/439124577.db2.gz PGEZRGPXZVICTM-DOTOQJQBSA-N 1 1 337.468 0.320 20 30 ECEDMO Cc1c(C(=O)N[C@H](C#N)CO)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000597747537 439173230 /nfs/dbraw/zinc/17/32/30/439173230.db2.gz QZJQFVDEZAJOOM-CYBMUJFWSA-N 1 1 340.387 0.178 20 30 ECEDMO N#CCNC(=O)CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000597651732 439150524 /nfs/dbraw/zinc/15/05/24/439150524.db2.gz SEXFWPBKHDZPEM-INIZCTEOSA-N 1 1 328.416 0.697 20 30 ECEDMO C[N@@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](CO)C1 ZINC000602906940 439157950 /nfs/dbraw/zinc/15/79/50/439157950.db2.gz VICQYQGLLRTCET-SJORKVTESA-N 1 1 328.416 0.662 20 30 ECEDMO C[N@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](CO)C1 ZINC000602906940 439157954 /nfs/dbraw/zinc/15/79/54/439157954.db2.gz VICQYQGLLRTCET-SJORKVTESA-N 1 1 328.416 0.662 20 30 ECEDMO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000592149376 439166303 /nfs/dbraw/zinc/16/63/03/439166303.db2.gz NXQQIFQWDGRAGQ-GOSISDBHSA-N 1 1 346.406 0.825 20 30 ECEDMO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000592149376 439166308 /nfs/dbraw/zinc/16/63/08/439166308.db2.gz NXQQIFQWDGRAGQ-GOSISDBHSA-N 1 1 346.406 0.825 20 30 ECEDMO Cn1c2ncn(CC[N@H+](C)[C@H]3CCC[C@H]3C#N)c2c(=O)n(C)c1=O ZINC000602980212 439175161 /nfs/dbraw/zinc/17/51/61/439175161.db2.gz NABGSUQYDCLOJN-RYUDHWBXSA-N 1 1 330.392 0.058 20 30 ECEDMO Cn1c2ncn(CC[N@@H+](C)[C@H]3CCC[C@H]3C#N)c2c(=O)n(C)c1=O ZINC000602980212 439175163 /nfs/dbraw/zinc/17/51/63/439175163.db2.gz NABGSUQYDCLOJN-RYUDHWBXSA-N 1 1 330.392 0.058 20 30 ECEDMO CC[C@@]1(O)CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000602983191 439175525 /nfs/dbraw/zinc/17/55/25/439175525.db2.gz DNMUUGSIRMVUNB-SJLPKXTDSA-N 1 1 336.480 0.916 20 30 ECEDMO Cc1oc(NC(=O)CN(C)CC(=O)N2CC[NH+](C)CC2)c(C#N)c1C ZINC000602989329 439178644 /nfs/dbraw/zinc/17/86/44/439178644.db2.gz LXOIGGSEXYBBJB-UHFFFAOYSA-N 1 1 347.419 0.412 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000603658460 439276255 /nfs/dbraw/zinc/27/62/55/439276255.db2.gz PHLNOCGAMBBJKG-CQSZACIVSA-N 1 1 330.454 0.263 20 30 ECEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000603400971 439256045 /nfs/dbraw/zinc/25/60/45/439256045.db2.gz CSXREWCWXAJAFL-UHFFFAOYSA-N 1 1 342.490 0.926 20 30 ECEDMO N#CC1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCC1 ZINC000581932375 439268166 /nfs/dbraw/zinc/26/81/66/439268166.db2.gz HLCJOFVYUHNCMY-OAHLLOKOSA-N 1 1 348.447 0.510 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000490925614 439314356 /nfs/dbraw/zinc/31/43/56/439314356.db2.gz WMLYMBAMODVRMC-IBGZPJMESA-N 1 1 340.471 0.753 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000490925614 439314364 /nfs/dbraw/zinc/31/43/64/439314364.db2.gz WMLYMBAMODVRMC-IBGZPJMESA-N 1 1 340.471 0.753 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@H](CO)c2ccccc2OC)CC1 ZINC000490937471 439315948 /nfs/dbraw/zinc/31/59/48/439315948.db2.gz UQYIQPDPIBZCPC-MRXNPFEDSA-N 1 1 331.416 0.096 20 30 ECEDMO Cn1c(NC[C@H]2CC[N@H+]2C2CCCCC2)c(C#N)c(=O)n(C)c1=O ZINC000528115105 439316026 /nfs/dbraw/zinc/31/60/26/439316026.db2.gz OBUHBWKUHKFLIB-CYBMUJFWSA-N 1 1 331.420 0.775 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(OC)ccc1OC ZINC000491067857 439328234 /nfs/dbraw/zinc/32/82/34/439328234.db2.gz KNQWSMYCNZLXNZ-UHFFFAOYSA-N 1 1 326.418 0.937 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC000490840497 439303366 /nfs/dbraw/zinc/30/33/66/439303366.db2.gz OLYQBSSFFXAGED-UHFFFAOYSA-N 1 1 343.427 0.682 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC000490840497 439303370 /nfs/dbraw/zinc/30/33/70/439303370.db2.gz OLYQBSSFFXAGED-UHFFFAOYSA-N 1 1 343.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000490875420 439308068 /nfs/dbraw/zinc/30/80/68/439308068.db2.gz PZQPBHIPGSCJPD-HNNXBMFYSA-N 1 1 342.461 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000490875579 439308110 /nfs/dbraw/zinc/30/81/10/439308110.db2.gz QNPXIWGXGSYJQJ-LBPRGKRZSA-N 1 1 340.401 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000490875579 439308113 /nfs/dbraw/zinc/30/81/13/439308113.db2.gz QNPXIWGXGSYJQJ-LBPRGKRZSA-N 1 1 340.401 0.784 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000490915016 439311068 /nfs/dbraw/zinc/31/10/68/439311068.db2.gz KSQKQAAFCCGNKV-BFHYXJOUSA-N 1 1 327.450 0.301 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000593094383 439339699 /nfs/dbraw/zinc/33/96/99/439339699.db2.gz ZSASZJNJNFESCE-MRXNPFEDSA-N 1 1 330.432 0.857 20 30 ECEDMO C[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H]1CCN2CCO[C@H]1C2 ZINC000528514102 439345274 /nfs/dbraw/zinc/34/52/74/439345274.db2.gz DXUOPWMGJSPVKB-NUJGCVRESA-N 1 1 331.416 0.703 20 30 ECEDMO COCCOCC[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000593117705 439345549 /nfs/dbraw/zinc/34/55/49/439345549.db2.gz RTSJVPHFOTXPFR-UHFFFAOYSA-N 1 1 346.431 0.777 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000593537511 439396514 /nfs/dbraw/zinc/39/65/14/439396514.db2.gz LUTWBZJTMVZHER-LBPRGKRZSA-N 1 1 337.401 0.717 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000593537511 439396518 /nfs/dbraw/zinc/39/65/18/439396518.db2.gz LUTWBZJTMVZHER-LBPRGKRZSA-N 1 1 337.401 0.717 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000491543427 439404185 /nfs/dbraw/zinc/40/41/85/439404185.db2.gz GRTBSTMUWVVMEP-UHFFFAOYSA-N 1 1 330.432 0.599 20 30 ECEDMO Cc1cc(NC(=O)C[N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)no1 ZINC000599261145 439404864 /nfs/dbraw/zinc/40/48/64/439404864.db2.gz OCCSIINACGQXGQ-CYBMUJFWSA-N 1 1 336.392 0.925 20 30 ECEDMO Cc1cc(NC(=O)C[N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)no1 ZINC000599261145 439404870 /nfs/dbraw/zinc/40/48/70/439404870.db2.gz OCCSIINACGQXGQ-CYBMUJFWSA-N 1 1 336.392 0.925 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cc1ccc(C#N)nc1 ZINC000599265047 439406003 /nfs/dbraw/zinc/40/60/03/439406003.db2.gz QNCOWJBVGMQMQI-INIZCTEOSA-N 1 1 343.431 0.555 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593577587 439412941 /nfs/dbraw/zinc/41/29/41/439412941.db2.gz MHWGZIUMEBBBAR-MRXNPFEDSA-N 1 1 337.445 0.833 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000593603268 439420807 /nfs/dbraw/zinc/42/08/07/439420807.db2.gz KBQFTIFAVOMSIU-LLVKDONJSA-N 1 1 329.447 0.745 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000593603268 439420810 /nfs/dbraw/zinc/42/08/10/439420810.db2.gz KBQFTIFAVOMSIU-LLVKDONJSA-N 1 1 329.447 0.745 20 30 ECEDMO COCC(COC)[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000529484792 439425558 /nfs/dbraw/zinc/42/55/58/439425558.db2.gz PGPYZMBKORVHDV-UHFFFAOYSA-N 1 1 332.404 0.301 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000491676358 439426201 /nfs/dbraw/zinc/42/62/01/439426201.db2.gz WEEGFACEUHYDAU-CQSZACIVSA-N 1 1 344.481 0.055 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000491676230 439427356 /nfs/dbraw/zinc/42/73/56/439427356.db2.gz YWUIPZRENHWCBW-CYBMUJFWSA-N 1 1 339.436 0.476 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000491699445 439430391 /nfs/dbraw/zinc/43/03/91/439430391.db2.gz NLKIBKFFMUKVHA-CYBMUJFWSA-N 1 1 327.384 0.742 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCOC[C@@H]1OCCOC ZINC000491764208 439443872 /nfs/dbraw/zinc/44/38/72/439443872.db2.gz BYTDFCBBXUMYDU-CABCVRRESA-N 1 1 327.425 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000491771334 439445771 /nfs/dbraw/zinc/44/57/71/439445771.db2.gz RHGSPEIWSGEDPB-KEYYUXOJSA-N 1 1 344.415 0.580 20 30 ECEDMO C#CCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](C(=O)N[C@H](C)CCC)C2)C1=O ZINC000491773264 439446262 /nfs/dbraw/zinc/44/62/62/439446262.db2.gz VKJUPBHGSZNMCI-KFWWJZLASA-N 1 1 333.432 0.764 20 30 ECEDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599475524 439483866 /nfs/dbraw/zinc/48/38/66/439483866.db2.gz RTIJYTBIZKYLQE-GJZGRUSLSA-N 1 1 338.452 0.745 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2nccnn2)CC1 ZINC000599510168 439495431 /nfs/dbraw/zinc/49/54/31/439495431.db2.gz WANQARRRJSNMRL-UHFFFAOYSA-N 1 1 337.387 0.894 20 30 ECEDMO C[NH2+]CCCc1[nH]nc(NC(=O)C(=O)c2ccc(O)cc2)c1C#N ZINC000571430520 439502234 /nfs/dbraw/zinc/50/22/34/439502234.db2.gz HPHBIXRFGWIOQR-UHFFFAOYSA-N 1 1 327.344 0.960 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2CO)CC1 ZINC000594016804 439507888 /nfs/dbraw/zinc/50/78/88/439507888.db2.gz IQFCPFBQSYXDNT-IAGOWNOFSA-N 1 1 336.480 0.916 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@@]1(O)C[C@@H](OCC)C1(C)C ZINC000491811487 439456479 /nfs/dbraw/zinc/45/64/79/439456479.db2.gz LVBCSCBCBUOTJI-PBHICJAKSA-N 1 1 325.453 0.807 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(NC(C)=O)ccc1F ZINC000491818276 439457814 /nfs/dbraw/zinc/45/78/14/439457814.db2.gz PYQAYCGWYKXSRC-UHFFFAOYSA-N 1 1 348.378 0.794 20 30 ECEDMO CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C)nn1CCC#N)C1CC1 ZINC000533461647 439525127 /nfs/dbraw/zinc/52/51/27/439525127.db2.gz GZCLLCCWPMTDLU-UHFFFAOYSA-N 1 1 332.408 0.644 20 30 ECEDMO COc1cc(/C=C\C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1OCC#N ZINC000492582115 439550580 /nfs/dbraw/zinc/55/05/80/439550580.db2.gz OQQMZAJZXOPOMN-SUZKBHRPSA-N 1 1 345.399 0.794 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000572195512 439564076 /nfs/dbraw/zinc/56/40/76/439564076.db2.gz VUYWBVBQLXLNFZ-RDTXWAMCSA-N 1 1 338.367 0.402 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000572195512 439564079 /nfs/dbraw/zinc/56/40/79/439564079.db2.gz VUYWBVBQLXLNFZ-RDTXWAMCSA-N 1 1 338.367 0.402 20 30 ECEDMO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000599590962 439514232 /nfs/dbraw/zinc/51/42/32/439514232.db2.gz PCQFDHSZOYDGAR-CHWSQXEVSA-N 1 1 339.392 0.175 20 30 ECEDMO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000599590962 439514234 /nfs/dbraw/zinc/51/42/34/439514234.db2.gz PCQFDHSZOYDGAR-CHWSQXEVSA-N 1 1 339.392 0.175 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)C1 ZINC000609686269 439586068 /nfs/dbraw/zinc/58/60/68/439586068.db2.gz XZWWUKADINWVBC-KRWDZBQOSA-N 1 1 348.495 0.396 20 30 ECEDMO N#C[C@@H]1N(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CCC[C@@]12CCCCO2 ZINC000573416594 439644693 /nfs/dbraw/zinc/64/46/93/439644693.db2.gz LKXJOSVHXIJRJT-RYRKJORJSA-N 1 1 332.448 0.830 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCOC[C@@H]3C)CC2)o1 ZINC000610990622 439664453 /nfs/dbraw/zinc/66/44/53/439664453.db2.gz DAMOREDBNFEWRS-ZDUSSCGKSA-N 1 1 347.419 0.614 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000600212809 439622217 /nfs/dbraw/zinc/62/22/17/439622217.db2.gz HOGBOFVSXQAHHE-AWEZNQCLSA-N 1 1 347.444 0.967 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000600212809 439622222 /nfs/dbraw/zinc/62/22/22/439622222.db2.gz HOGBOFVSXQAHHE-AWEZNQCLSA-N 1 1 347.444 0.967 20 30 ECEDMO N#Cc1ncn(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)n1 ZINC000584846575 439622203 /nfs/dbraw/zinc/62/22/03/439622203.db2.gz STZHJBVISVCFDP-ZDUSSCGKSA-N 1 1 330.779 0.976 20 30 ECEDMO N#Cc1cnc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(Cl)c1 ZINC000600234870 439627968 /nfs/dbraw/zinc/62/79/68/439627968.db2.gz RYFYXLREWCPCAO-LBPRGKRZSA-N 1 1 335.795 0.676 20 30 ECEDMO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808751 439705305 /nfs/dbraw/zinc/70/53/05/439705305.db2.gz PCPGBGKBQSQGRT-LRDDRELGSA-N 1 1 325.409 0.431 20 30 ECEDMO C[C@@H]1C[N@H+](CCN2CCN(c3nccnc3C#N)C[C@@H]2C)C[C@H](C)O1 ZINC000595338463 439705963 /nfs/dbraw/zinc/70/59/63/439705963.db2.gz ILPDXHJCGHBTEG-HRCADAONSA-N 1 1 344.463 0.968 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000600846887 439709541 /nfs/dbraw/zinc/70/95/41/439709541.db2.gz UIJQVCKCHIPEKO-XUWXXGDYSA-N 1 1 345.447 0.771 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000600846887 439709545 /nfs/dbraw/zinc/70/95/45/439709545.db2.gz UIJQVCKCHIPEKO-XUWXXGDYSA-N 1 1 345.447 0.771 20 30 ECEDMO C=CCCSCCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000595271257 439686617 /nfs/dbraw/zinc/68/66/17/439686617.db2.gz JVGOKUNBHVLCBY-AWEZNQCLSA-N 1 1 340.493 0.902 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(CCC(=O)OC)C2=O)C1=O ZINC000595471564 439731568 /nfs/dbraw/zinc/73/15/68/439731568.db2.gz BOXVUSPHGVDZFR-UONOGXRCSA-N 1 1 337.420 0.259 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(CCC(=O)OC)C2=O)C1=O ZINC000595471564 439731569 /nfs/dbraw/zinc/73/15/69/439731569.db2.gz BOXVUSPHGVDZFR-UONOGXRCSA-N 1 1 337.420 0.259 20 30 ECEDMO CN1CC(=O)N(CC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000595502134 439735759 /nfs/dbraw/zinc/73/57/59/439735759.db2.gz PSJXTOZXDRITDH-ZDUSSCGKSA-N 1 1 329.360 0.300 20 30 ECEDMO C=C(C)CS(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641695496 439901322 /nfs/dbraw/zinc/90/13/22/439901322.db2.gz AAWRHWBYQNBRMI-OAHLLOKOSA-N 1 1 331.482 0.279 20 30 ECEDMO C=C(C)CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641695496 439901330 /nfs/dbraw/zinc/90/13/30/439901330.db2.gz AAWRHWBYQNBRMI-OAHLLOKOSA-N 1 1 331.482 0.279 20 30 ECEDMO C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000636878901 440077103 /nfs/dbraw/zinc/07/71/03/440077103.db2.gz YRJUYBDBLDFODF-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000636878901 440077113 /nfs/dbraw/zinc/07/71/13/440077113.db2.gz YRJUYBDBLDFODF-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000647371273 440045372 /nfs/dbraw/zinc/04/53/72/440045372.db2.gz NTCXQPRFXVJFIT-QLFBSQMISA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000647371273 440045378 /nfs/dbraw/zinc/04/53/78/440045378.db2.gz NTCXQPRFXVJFIT-QLFBSQMISA-N 1 1 333.436 0.877 20 30 ECEDMO C=C(C)COc1cccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000628103954 440414425 /nfs/dbraw/zinc/41/44/25/440414425.db2.gz ASYMEEYHRMHXBQ-HNNXBMFYSA-N 1 1 347.415 0.763 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000645243429 440768427 /nfs/dbraw/zinc/76/84/27/440768427.db2.gz KLSWBQRCETTZEN-LSDHHAIUSA-N 1 1 338.452 0.003 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635156606 440769957 /nfs/dbraw/zinc/76/99/57/440769957.db2.gz MESRMZZIJIOPAZ-MRXNPFEDSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CCN1CC[C@@H](N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000640049907 440864808 /nfs/dbraw/zinc/86/48/08/440864808.db2.gz UAAWGTQBLNQARO-MWDXBVQZSA-N 1 1 344.459 0.319 20 30 ECEDMO C=CCN1CC[C@@H](N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000640049907 440864812 /nfs/dbraw/zinc/86/48/12/440864812.db2.gz UAAWGTQBLNQARO-MWDXBVQZSA-N 1 1 344.459 0.319 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000662168340 440978766 /nfs/dbraw/zinc/97/87/66/440978766.db2.gz BXBKBZAKSTYYKR-LLVKDONJSA-N 1 1 346.366 0.754 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC[N@H+](CCO)[C@H](C)C1 ZINC000641502109 441133884 /nfs/dbraw/zinc/13/38/84/441133884.db2.gz BAENAZVCEJLAIA-CQSZACIVSA-N 1 1 339.461 0.654 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000641502109 441133886 /nfs/dbraw/zinc/13/38/86/441133886.db2.gz BAENAZVCEJLAIA-CQSZACIVSA-N 1 1 339.461 0.654 20 30 ECEDMO C[NH+]1CCN(C(=O)Cc2noc(Cc3c(F)cccc3C#N)n2)CC1 ZINC000350198789 321322509 /nfs/dbraw/zinc/32/25/09/321322509.db2.gz CJELCVVGVVNFEX-UHFFFAOYSA-N 1 1 343.362 0.988 20 30 ECEDMO N#Cc1cc(F)c(N2CC[NH2+][C@@H](C(N)=O)C2)cc1Br ZINC000563637363 322335986 /nfs/dbraw/zinc/33/59/86/322335986.db2.gz SREALKVTSHTGPT-SNVBAGLBSA-N 1 1 327.157 0.723 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)NCC[NH+]2CCC(O)CC2)c(F)c1 ZINC000576241272 322804017 /nfs/dbraw/zinc/80/40/17/322804017.db2.gz VFEMPMHBJRFMKK-UHFFFAOYSA-N 1 1 341.408 0.573 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001041754825 782133337 /nfs/dbraw/zinc/13/33/37/782133337.db2.gz FDAZGQHZDJHCTD-KRWDZBQOSA-N 1 1 332.404 0.849 20 30 ECEDMO CC[N@@H+](CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C1CC1 ZINC000153620183 527898777 /nfs/dbraw/zinc/89/87/77/527898777.db2.gz DPVVCHHACLGRMU-ZDUSSCGKSA-N 1 1 328.420 0.870 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC1CCOCC1 ZINC000329245101 546017464 /nfs/dbraw/zinc/01/74/64/546017464.db2.gz VBNYUVCZIIYMMR-OAHLLOKOSA-N 1 1 339.436 0.835 20 30 ECEDMO CC1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)COC1 ZINC000329408518 546023059 /nfs/dbraw/zinc/02/30/59/546023059.db2.gz CNIBLXBEFOFDEG-AWEZNQCLSA-N 1 1 339.436 0.693 20 30 ECEDMO CC(=O)N1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000329834934 546035289 /nfs/dbraw/zinc/03/52/89/546035289.db2.gz LGOCQYLLEFIFDY-CYBMUJFWSA-N 1 1 326.441 0.469 20 30 ECEDMO CC[C@H]1CN(C(=O)C(=O)N2CCC(C#N)CC2)CC[N@@H+]1CCOC ZINC000410430226 546199598 /nfs/dbraw/zinc/19/95/98/546199598.db2.gz FEWTXAUJTBYJCG-HNNXBMFYSA-N 1 1 336.436 0.318 20 30 ECEDMO CC[C@H]1CN(C(=O)C(=O)N2CCC(C#N)CC2)CC[N@H+]1CCOC ZINC000410430226 546199603 /nfs/dbraw/zinc/19/96/03/546199603.db2.gz FEWTXAUJTBYJCG-HNNXBMFYSA-N 1 1 336.436 0.318 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)n1cnc(C#N)n1 ZINC000619597071 546344577 /nfs/dbraw/zinc/34/45/77/546344577.db2.gz STWRMZJNVBNSLG-MGPQQGTHSA-N 1 1 332.408 0.470 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000619873785 546376701 /nfs/dbraw/zinc/37/67/01/546376701.db2.gz WEFZIAYSVRYMFH-OAHLLOKOSA-N 1 1 344.415 0.452 20 30 ECEDMO C=C(CNC(=O)C[NH+]1CC[C@H](C)C1)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000620749646 546451044 /nfs/dbraw/zinc/45/10/44/546451044.db2.gz HXIDSTPAVDCQEF-GJZGRUSLSA-N 1 1 336.480 0.459 20 30 ECEDMO CNC(=O)[C@@H]1CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625100538 547021905 /nfs/dbraw/zinc/02/19/05/547021905.db2.gz BYQBVLRGHYIDCZ-HNNXBMFYSA-N 1 1 325.368 0.496 20 30 ECEDMO CNC(=O)[C@@H]1CCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625100538 547021906 /nfs/dbraw/zinc/02/19/06/547021906.db2.gz BYQBVLRGHYIDCZ-HNNXBMFYSA-N 1 1 325.368 0.496 20 30 ECEDMO CNC(=O)[C@@H](C)C[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625206743 547042028 /nfs/dbraw/zinc/04/20/28/547042028.db2.gz HVMVJDMQGJGRIJ-ZDUSSCGKSA-N 1 1 327.384 0.600 20 30 ECEDMO C=CC[C@@H]1CC[N@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000625705675 547204987 /nfs/dbraw/zinc/20/49/87/547204987.db2.gz XCRXNOIHDFVWPU-LLVKDONJSA-N 1 1 336.392 0.258 20 30 ECEDMO C=C[C@@](C)(O)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000668451196 547659753 /nfs/dbraw/zinc/65/97/53/547659753.db2.gz NERGKJOSNLZNGO-QFBILLFUSA-N 1 1 345.443 0.937 20 30 ECEDMO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[N@H+](C)CCOC ZINC000668751167 547741294 /nfs/dbraw/zinc/74/12/94/547741294.db2.gz RJYRWPKRYZTMTJ-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000669036660 547817025 /nfs/dbraw/zinc/81/70/25/547817025.db2.gz XMPMHPZLVPMBMM-CYBMUJFWSA-N 1 1 344.423 0.171 20 30 ECEDMO C=CCn1c([C@H]2COCCO2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000669055388 547820612 /nfs/dbraw/zinc/82/06/12/547820612.db2.gz CCITWHHBJILFOH-HUUCEWRRSA-N 1 1 349.435 0.463 20 30 ECEDMO CC(=NNC(=S)NCC(N)=O)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000751528892 579370798 /nfs/dbraw/zinc/37/07/98/579370798.db2.gz MEGKCLCZMDCFGB-UHFFFAOYSA-N 1 1 330.417 0.854 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cnn2cccnc12 ZINC000755522174 579434617 /nfs/dbraw/zinc/43/46/17/579434617.db2.gz XDNMTIBBNUOZAY-UHFFFAOYSA-N 1 1 347.448 0.250 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@@H](C(C)C)C2)c1=O ZINC000755918190 579441301 /nfs/dbraw/zinc/44/13/01/579441301.db2.gz BEHYFDZXUYXIBB-CQSZACIVSA-N 1 1 334.420 0.479 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cn2cccc(C#N)c2=O)CC1 ZINC000758224540 579469189 /nfs/dbraw/zinc/46/91/89/579469189.db2.gz RVXASPUBYQKIKT-QGZVFWFLSA-N 1 1 329.448 0.779 20 30 ECEDMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cn1 ZINC000730074852 578302758 /nfs/dbraw/zinc/30/27/58/578302758.db2.gz XOYJSSHYNQVFHB-CYBMUJFWSA-N 1 1 340.343 0.265 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000730278181 578304550 /nfs/dbraw/zinc/30/45/50/578304550.db2.gz KUQZTQVWASSFFE-HNNXBMFYSA-N 1 1 335.429 0.772 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000730278181 578304551 /nfs/dbraw/zinc/30/45/51/578304551.db2.gz KUQZTQVWASSFFE-HNNXBMFYSA-N 1 1 335.429 0.772 20 30 ECEDMO CCC[N@H+]1CC[C@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000732425996 578325322 /nfs/dbraw/zinc/32/53/22/578325322.db2.gz IMCBHLAYPKALMV-UWZWCOGJSA-N 1 1 349.435 0.544 20 30 ECEDMO O=C(NCC[NH2+]Cc1cn(-c2ccccc2)nn1)C1N=CC=CC1=O ZINC000733334142 578336163 /nfs/dbraw/zinc/33/61/63/578336163.db2.gz BKYXPJZKGXUQEK-MSUUIHNZSA-N 1 1 338.371 0.883 20 30 ECEDMO C[C@H]1CC(=NNC(=S)NCC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000734299616 578356078 /nfs/dbraw/zinc/35/60/78/578356078.db2.gz RFVKXGLTCNFGAC-LBPRGKRZSA-N 1 1 333.461 0.976 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(n2ncc(C(=O)OCC)c2C)CC1 ZINC000796094171 578622629 /nfs/dbraw/zinc/62/26/29/578622629.db2.gz ORMWPHOHKLVEBJ-UHFFFAOYSA-N 1 1 332.404 0.755 20 30 ECEDMO C#C[C@H]([NH2+]Cc1c(C)nn(CCS(C)(=O)=O)c1C)[C@@H]1CCCO1 ZINC000797983918 578637480 /nfs/dbraw/zinc/63/74/80/578637480.db2.gz LIFSQAXWPDLFIP-HOTGVXAUSA-N 1 1 339.461 0.815 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000798356668 578644638 /nfs/dbraw/zinc/64/46/38/578644638.db2.gz ZPJGGKCYNMBUAQ-QLFBSQMISA-N 1 1 325.453 0.948 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000798356668 578644639 /nfs/dbraw/zinc/64/46/39/578644639.db2.gz ZPJGGKCYNMBUAQ-QLFBSQMISA-N 1 1 325.453 0.948 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)/C=C/c1ccccc1C#N ZINC000799834352 578670884 /nfs/dbraw/zinc/67/08/84/578670884.db2.gz KHQHDEMAVBJXEX-BQYQJAHWSA-N 1 1 326.400 0.804 20 30 ECEDMO C[C@@H](CNC(=O)NCc1ccc(C#N)cn1)CN1CC[NH+](C)CC1 ZINC000780497987 578695087 /nfs/dbraw/zinc/69/50/87/578695087.db2.gz NCWCXWVNYNVQFB-AWEZNQCLSA-N 1 1 330.436 0.636 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC3(CNC(=O)O3)CC2)c1 ZINC000781998190 578718393 /nfs/dbraw/zinc/71/83/93/578718393.db2.gz GPWMDNGTOLYKOU-UHFFFAOYSA-N 1 1 328.372 0.749 20 30 ECEDMO C#CCOCCNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000784255783 578750079 /nfs/dbraw/zinc/75/00/79/578750079.db2.gz YUVYDJOENKDZSN-UHFFFAOYSA-N 1 1 345.447 0.543 20 30 ECEDMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cn1 ZINC000786442067 578787234 /nfs/dbraw/zinc/78/72/34/578787234.db2.gz QXXHFFLNXWHEGC-MRXNPFEDSA-N 1 1 342.334 0.978 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CON=C(N)c2ccco2)C1 ZINC000789625314 578857837 /nfs/dbraw/zinc/85/78/37/578857837.db2.gz XWXJFULAMSBIHI-CYBMUJFWSA-N 1 1 338.408 0.390 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000790220813 578869887 /nfs/dbraw/zinc/86/98/87/578869887.db2.gz VMELGXWPQYLEIH-GJZGRUSLSA-N 1 1 339.461 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000790220813 578869889 /nfs/dbraw/zinc/86/98/89/578869889.db2.gz VMELGXWPQYLEIH-GJZGRUSLSA-N 1 1 339.461 0.111 20 30 ECEDMO C[C@@H]1CC(=NNC(=S)NCC(N)=O)C[N@@H+](Cc2ccccc2)C1 ZINC000767379860 579107180 /nfs/dbraw/zinc/10/71/80/579107180.db2.gz ULUIYIWVILMMLR-GFCCVEGCSA-N 1 1 333.461 0.834 20 30 ECEDMO C[C@@H]1CC(=NNC(=S)NCC(N)=O)C[N@H+](Cc2ccccc2)C1 ZINC000767379860 579107182 /nfs/dbraw/zinc/10/71/82/579107182.db2.gz ULUIYIWVILMMLR-GFCCVEGCSA-N 1 1 333.461 0.834 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)OCCCn2cc[nH+]c2C)C1=O ZINC000767620814 579113056 /nfs/dbraw/zinc/11/30/56/579113056.db2.gz LRYOHOTZYRYHFH-UHFFFAOYSA-N 1 1 334.332 0.102 20 30 ECEDMO COCC#CC[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767752002 579115001 /nfs/dbraw/zinc/11/50/01/579115001.db2.gz HMXPQCIAALELTH-UHFFFAOYSA-N 1 1 337.445 0.830 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)nn1CCC#N ZINC000768087058 579121686 /nfs/dbraw/zinc/12/16/86/579121686.db2.gz MVHMNXKVDUHCOA-GFCCVEGCSA-N 1 1 332.408 0.644 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000771658396 579192918 /nfs/dbraw/zinc/19/29/18/579192918.db2.gz SISNSUVTRFPXJB-RHSMWYFYSA-N 1 1 330.432 0.734 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1c(C(=O)OCC)cnn1C)[C@H]1CCCO1 ZINC000775793641 579271401 /nfs/dbraw/zinc/27/14/01/579271401.db2.gz WGEGPIWYBVJIHE-CHWSQXEVSA-N 1 1 334.376 0.306 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1)[C@H]1CCCO1 ZINC000775800980 579271725 /nfs/dbraw/zinc/27/17/25/579271725.db2.gz RGFNSXFCOAPLLB-QLFBSQMISA-N 1 1 330.384 0.713 20 30 ECEDMO C#C[C@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000776225805 579277992 /nfs/dbraw/zinc/27/79/92/579277992.db2.gz CJQDXFAOVIKZOX-HOTGVXAUSA-N 1 1 336.480 0.883 20 30 ECEDMO COCCS(=O)(=O)CCCO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000778594282 579309925 /nfs/dbraw/zinc/30/99/25/579309925.db2.gz DBOPTYKHYSORLO-UHFFFAOYSA-N 1 1 342.417 0.710 20 30 ECEDMO CC(=NNC1=[NH+]C[C@H](C)N1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000779805759 579321128 /nfs/dbraw/zinc/32/11/28/579321128.db2.gz RHCTUTHIMSRADO-NSHDSACASA-N 1 1 335.433 0.888 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCc2scnc2C)CC1 ZINC000761030516 579519783 /nfs/dbraw/zinc/51/97/83/579519783.db2.gz IDKOFCDKQQZISZ-UHFFFAOYSA-N 1 1 328.463 0.079 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000739949196 579723640 /nfs/dbraw/zinc/72/36/40/579723640.db2.gz MYBVKGINCKERMD-QWHCGFSZSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000739949196 579723642 /nfs/dbraw/zinc/72/36/42/579723642.db2.gz MYBVKGINCKERMD-QWHCGFSZSA-N 1 1 339.392 0.839 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000742193885 579781623 /nfs/dbraw/zinc/78/16/23/579781623.db2.gz CZKGZIPVEWKIKW-ZDUSSCGKSA-N 1 1 337.445 0.927 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000742193885 579781624 /nfs/dbraw/zinc/78/16/24/579781624.db2.gz CZKGZIPVEWKIKW-ZDUSSCGKSA-N 1 1 337.445 0.927 20 30 ECEDMO O=C(CCNC(=O)C1N=CC=CC1=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000746238665 579833937 /nfs/dbraw/zinc/83/39/37/579833937.db2.gz RHGUZQJFUJXCQC-PHODEOQFSA-N 1 1 332.404 0.503 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000747980169 579855908 /nfs/dbraw/zinc/85/59/08/579855908.db2.gz SHWJXPZVIRWKHG-JKSUJKDBSA-N 1 1 332.448 0.784 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000837858799 588963481 /nfs/dbraw/zinc/96/34/81/588963481.db2.gz AYYUAYAQSLTRQX-OAHLLOKOSA-N 1 1 346.435 0.511 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1=O ZINC000841690278 588998359 /nfs/dbraw/zinc/99/83/59/588998359.db2.gz MPHWOZZXBIRTQD-BFHYXJOUSA-N 1 1 334.420 0.478 20 30 ECEDMO C#C[C@@H](NC(=O)NC1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCCO1 ZINC000841878565 589004208 /nfs/dbraw/zinc/00/42/08/589004208.db2.gz HLRGHJLOQCYYRB-BACDZXNISA-N 1 1 334.464 0.683 20 30 ECEDMO COC(=O)Cn1cc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)nn1 ZINC000842035825 589008994 /nfs/dbraw/zinc/00/89/94/589008994.db2.gz QNLXWFKMIWEUMU-UHFFFAOYSA-N 1 1 331.332 0.223 20 30 ECEDMO C#CCNC(=O)CO[NH+]=C(N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000842109831 589012011 /nfs/dbraw/zinc/01/20/11/589012011.db2.gz CWFNCMFQNXVYRX-UHFFFAOYSA-N 1 1 338.408 0.881 20 30 ECEDMO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895161940 586167184 /nfs/dbraw/zinc/16/71/84/586167184.db2.gz INGOMDALWDMSKF-AWEZNQCLSA-N 1 1 338.408 0.921 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000891608036 586180981 /nfs/dbraw/zinc/18/09/81/586180981.db2.gz UOIXFZDCQWZSND-KRWDZBQOSA-N 1 1 340.427 0.784 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000891608036 586180982 /nfs/dbraw/zinc/18/09/82/586180982.db2.gz UOIXFZDCQWZSND-KRWDZBQOSA-N 1 1 340.427 0.784 20 30 ECEDMO C#CCC1(O)CC[NH+](Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000895671843 586197977 /nfs/dbraw/zinc/19/79/77/586197977.db2.gz YRXJNINUMDECDE-UHFFFAOYSA-N 1 1 326.393 0.823 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCOC[C@H]2C[C@H]2CCOC2)C1 ZINC000896489008 586243677 /nfs/dbraw/zinc/24/36/77/586243677.db2.gz LDLHVXFJSJAPLX-IXDOHACOSA-N 1 1 335.448 0.921 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@H]2C[C@H]2CCOC2)C1 ZINC000896489008 586243679 /nfs/dbraw/zinc/24/36/79/586243679.db2.gz LDLHVXFJSJAPLX-IXDOHACOSA-N 1 1 335.448 0.921 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](c3ccnn3C)C2)C1 ZINC000896492597 586243818 /nfs/dbraw/zinc/24/38/18/586243818.db2.gz GDUQWCRTJVRIDL-GOEBONIOSA-N 1 1 331.420 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](c3ccnn3C)C2)C1 ZINC000896492597 586243819 /nfs/dbraw/zinc/24/38/19/586243819.db2.gz GDUQWCRTJVRIDL-GOEBONIOSA-N 1 1 331.420 0.601 20 30 ECEDMO N#Cc1csc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)n1 ZINC000897262058 586290910 /nfs/dbraw/zinc/29/09/10/586290910.db2.gz TWTXNMFIKKUXTR-QWHCGFSZSA-N 1 1 335.433 0.755 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000898254239 586410545 /nfs/dbraw/zinc/41/05/45/586410545.db2.gz HLJCRKFNCVSEFE-UHFFFAOYSA-N 1 1 331.416 0.906 20 30 ECEDMO C=CCn1c(Cc2noc(C[NH2+]C3CC3)n2)nnc1N1CCOCC1 ZINC000843203412 589053900 /nfs/dbraw/zinc/05/39/00/589053900.db2.gz BZIWLHAQOYCAKW-UHFFFAOYSA-N 1 1 345.407 0.527 20 30 ECEDMO C#CCN1C(=O)C[C@@H]([N@@H+]2CCCN(c3ccccc3OC)CC2)C1=O ZINC000899255824 586478981 /nfs/dbraw/zinc/47/89/81/586478981.db2.gz PYRNZNMESZAHIX-MRXNPFEDSA-N 1 1 341.411 0.968 20 30 ECEDMO C#CCN1C(=O)C[C@@H]([N@H+]2CCCN(c3ccccc3OC)CC2)C1=O ZINC000899255824 586478983 /nfs/dbraw/zinc/47/89/83/586478983.db2.gz PYRNZNMESZAHIX-MRXNPFEDSA-N 1 1 341.411 0.968 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000900175938 586530624 /nfs/dbraw/zinc/53/06/24/586530624.db2.gz FOMBQAQXLVPQCB-ACJLOTCBSA-N 1 1 346.406 0.801 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000843256734 589057320 /nfs/dbraw/zinc/05/73/20/589057320.db2.gz YEBBOXLTZPXPNI-INIZCTEOSA-N 1 1 349.475 0.818 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000900528051 586639991 /nfs/dbraw/zinc/63/99/91/586639991.db2.gz DGOTUTNAOFNGGW-YJBOKZPZSA-N 1 1 343.431 0.493 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510497 586781045 /nfs/dbraw/zinc/78/10/45/586781045.db2.gz QZYPXCFDHBSECF-BMFZPTHFSA-N 1 1 349.479 0.287 20 30 ECEDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758190443 586896262 /nfs/dbraw/zinc/89/62/62/586896262.db2.gz FTZHLVBJTZAMPX-UKRRQHHQSA-N 1 1 332.404 0.541 20 30 ECEDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758190443 586896263 /nfs/dbraw/zinc/89/62/63/586896263.db2.gz FTZHLVBJTZAMPX-UKRRQHHQSA-N 1 1 332.404 0.541 20 30 ECEDMO N#Cc1ccc(CN2CC[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)CC2)cc1 ZINC000905899805 586920962 /nfs/dbraw/zinc/92/09/62/586920962.db2.gz ZCAORKGXFJTTER-OALUTQOASA-N 1 1 345.443 0.578 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000907042250 587006058 /nfs/dbraw/zinc/00/60/58/587006058.db2.gz GDHSSOHUFVZSAA-CYBMUJFWSA-N 1 1 332.429 0.998 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N([C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1=O ZINC000804169230 587080551 /nfs/dbraw/zinc/08/05/51/587080551.db2.gz RRLAGXOLOKCIDP-GJZGRUSLSA-N 1 1 336.436 0.278 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N([C@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O ZINC000804169230 587080553 /nfs/dbraw/zinc/08/05/53/587080553.db2.gz RRLAGXOLOKCIDP-GJZGRUSLSA-N 1 1 336.436 0.278 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N([C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1=O ZINC000804169232 587080720 /nfs/dbraw/zinc/08/07/20/587080720.db2.gz RRLAGXOLOKCIDP-LSDHHAIUSA-N 1 1 336.436 0.278 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N([C@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O ZINC000804169232 587080722 /nfs/dbraw/zinc/08/07/22/587080722.db2.gz RRLAGXOLOKCIDP-LSDHHAIUSA-N 1 1 336.436 0.278 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000806780606 587107687 /nfs/dbraw/zinc/10/76/87/587107687.db2.gz PLTLOTHXKVEIPZ-ZGTROFRASA-N 1 1 349.435 0.686 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000807085676 587118531 /nfs/dbraw/zinc/11/85/31/587118531.db2.gz JBSLDNNKMVPOJL-INIZCTEOSA-N 1 1 326.400 0.442 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000809308922 587174382 /nfs/dbraw/zinc/17/43/82/587174382.db2.gz NORPGIJZTXXBOH-GJZGRUSLSA-N 1 1 332.404 0.337 20 30 ECEDMO C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)[C@H]2C1 ZINC000815704063 587296147 /nfs/dbraw/zinc/29/61/47/587296147.db2.gz URQSJMSKFLVSMW-RISCZKNCSA-N 1 1 346.362 0.829 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986172 587463661 /nfs/dbraw/zinc/46/36/61/587463661.db2.gz HHTOWMBNCNDCCR-ZHALLVOQSA-N 1 1 345.443 0.945 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986172 587463662 /nfs/dbraw/zinc/46/36/62/587463662.db2.gz HHTOWMBNCNDCCR-ZHALLVOQSA-N 1 1 345.443 0.945 20 30 ECEDMO N#Cc1ccc([C@@H](O)CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000819003258 587463951 /nfs/dbraw/zinc/46/39/51/587463951.db2.gz CNTGEUIPBONTPH-IRXDYDNUSA-N 1 1 330.432 0.769 20 30 ECEDMO N#Cc1ccc([C@@H](O)CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000819003258 587463953 /nfs/dbraw/zinc/46/39/53/587463953.db2.gz CNTGEUIPBONTPH-IRXDYDNUSA-N 1 1 330.432 0.769 20 30 ECEDMO C#CCNC(=O)CCNc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000819454671 587479624 /nfs/dbraw/zinc/47/96/24/587479624.db2.gz RKOIOJXTICFPKY-UHFFFAOYSA-N 1 1 344.459 0.864 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1)C1CCOCC1 ZINC000823159312 587706412 /nfs/dbraw/zinc/70/64/12/587706412.db2.gz QMRWNMNSYNBWBR-GJZGRUSLSA-N 1 1 337.420 0.161 20 30 ECEDMO C#C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCOCC1 ZINC000823191666 587708731 /nfs/dbraw/zinc/70/87/31/587708731.db2.gz RPYNYJLVZJLPON-IAGOWNOFSA-N 1 1 335.448 0.921 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCCCCCS(N)(=O)=O)CC1 ZINC000825078075 587915792 /nfs/dbraw/zinc/91/57/92/587915792.db2.gz RYQYYGILSBRTFB-UHFFFAOYSA-N 1 1 329.466 0.393 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccccc1OCC#N ZINC000825298218 587929966 /nfs/dbraw/zinc/92/99/66/587929966.db2.gz MBCLDSCZZHZXQO-UHFFFAOYSA-N 1 1 330.388 0.435 20 30 ECEDMO C=CCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000828473146 588182020 /nfs/dbraw/zinc/18/20/20/588182020.db2.gz PXAQPVGUMOTRMO-LSDHHAIUSA-N 1 1 333.436 0.879 20 30 ECEDMO C=CC1(CC(=O)NCC[N@@H+](C)CCO)CN(C(=O)OC(C)(C)C)C1 ZINC000829750351 588339375 /nfs/dbraw/zinc/33/93/75/588339375.db2.gz RMWIIMHDWYKSPJ-UHFFFAOYSA-N 1 1 341.452 0.840 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000867360069 589112760 /nfs/dbraw/zinc/11/27/60/589112760.db2.gz FYHKOBCOUHBUFP-UHFFFAOYSA-N 1 1 327.381 0.432 20 30 ECEDMO CC[C@@H](CC#N)[NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000846988057 589232142 /nfs/dbraw/zinc/23/21/42/589232142.db2.gz QFIQWZJHELXWTJ-LBPRGKRZSA-N 1 1 335.408 0.944 20 30 ECEDMO C#C[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000847307752 589241314 /nfs/dbraw/zinc/24/13/14/589241314.db2.gz YHYXGIQQONJRKV-HOTGVXAUSA-N 1 1 334.464 0.984 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ncc1C#N ZINC000847489496 589251329 /nfs/dbraw/zinc/25/13/29/589251329.db2.gz OQDRJEASBBIKJQ-KGLIPLIRSA-N 1 1 343.387 0.180 20 30 ECEDMO C#CCCN1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849518838 589338835 /nfs/dbraw/zinc/33/88/35/589338835.db2.gz PEFWZAPTIXUFCM-QZTJIDSGSA-N 1 1 343.475 0.623 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000851740026 589419263 /nfs/dbraw/zinc/41/92/63/589419263.db2.gz KOCMPOCNAJKUBT-UHFFFAOYSA-N 1 1 340.225 0.502 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000852358114 589492385 /nfs/dbraw/zinc/49/23/85/589492385.db2.gz MWCLYAWXQMUZMP-OWCLPIDISA-N 1 1 325.453 0.807 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000852752691 589510174 /nfs/dbraw/zinc/51/01/74/589510174.db2.gz HSQVYDUQWKOPPJ-UHFFFAOYSA-N 1 1 347.415 0.536 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000852752691 589510175 /nfs/dbraw/zinc/51/01/75/589510175.db2.gz HSQVYDUQWKOPPJ-UHFFFAOYSA-N 1 1 347.415 0.536 20 30 ECEDMO C#CCC[N@@H+](CCOC)CN1C[C@@](CO)(c2ccccn2)CC1=O ZINC000853620784 589552486 /nfs/dbraw/zinc/55/24/86/589552486.db2.gz DFYPZXJXBOPVRS-SFHVURJKSA-N 1 1 331.416 0.473 20 30 ECEDMO C#CCC[N@H+](CCOC)CN1C[C@@](CO)(c2ccccn2)CC1=O ZINC000853620784 589552488 /nfs/dbraw/zinc/55/24/88/589552488.db2.gz DFYPZXJXBOPVRS-SFHVURJKSA-N 1 1 331.416 0.473 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000854314246 589579255 /nfs/dbraw/zinc/57/92/55/589579255.db2.gz HDAODPQMWSKOSA-ZIAGYGMSSA-N 1 1 341.477 0.691 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000858278339 589737065 /nfs/dbraw/zinc/73/70/65/589737065.db2.gz VTUBCOLXCXHHBA-IRXDYDNUSA-N 1 1 338.496 0.988 20 30 ECEDMO CCOC(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000859053360 589796056 /nfs/dbraw/zinc/79/60/56/589796056.db2.gz DHOFLMCRMBAAMA-CQSZACIVSA-N 1 1 325.409 0.832 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC(=O)NCC(F)(F)F ZINC000867949828 589865073 /nfs/dbraw/zinc/86/50/73/589865073.db2.gz JZWGAKFVBPPUJS-ZDUSSCGKSA-N 1 1 340.305 0.540 20 30 ECEDMO CNC(=O)C1(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCCC1 ZINC000867955651 589865269 /nfs/dbraw/zinc/86/52/69/589865269.db2.gz FDDBQZNAJQONMX-HNNXBMFYSA-N 1 1 326.400 0.920 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868235614 589883330 /nfs/dbraw/zinc/88/33/30/589883330.db2.gz BTJKZJCXVGYPGA-IRXDYDNUSA-N 1 1 327.432 0.570 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNC2=NCC(=O)N2)c1C ZINC000863175101 589991600 /nfs/dbraw/zinc/99/16/00/589991600.db2.gz RKFNTWLLGYWABR-OAHLLOKOSA-N 1 1 330.436 0.999 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CC2(C(=O)OCC)CCOCC2)CC1 ZINC000865086572 590124048 /nfs/dbraw/zinc/12/40/48/590124048.db2.gz XFIRGLJGMLPWER-UHFFFAOYSA-N 1 1 336.432 0.904 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000873024685 590179664 /nfs/dbraw/zinc/17/96/64/590179664.db2.gz YVZRXRFEXWPBHX-UONOGXRCSA-N 1 1 327.450 0.018 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)n(CCC#N)n1 ZINC000874171593 590223969 /nfs/dbraw/zinc/22/39/69/590223969.db2.gz DOLHFVHLHPXCJU-UONOGXRCSA-N 1 1 344.419 0.596 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000875456359 590303194 /nfs/dbraw/zinc/30/31/94/590303194.db2.gz CWZGGSGSSYFIHN-CABCVRRESA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000875596243 590312037 /nfs/dbraw/zinc/31/20/37/590312037.db2.gz JGURZCXKGMFHMW-ARFHVFGLSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879973290 590357303 /nfs/dbraw/zinc/35/73/03/590357303.db2.gz XMXFSGHLDBULGA-OAGGEKHMSA-N 1 1 335.448 0.258 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000880479617 590395265 /nfs/dbraw/zinc/39/52/65/590395265.db2.gz SJBVBMCJYKLWOZ-UHFFFAOYSA-N 1 1 336.432 0.639 20 30 ECEDMO COC(=O)[C@]1(O)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880563981 590405032 /nfs/dbraw/zinc/40/50/32/590405032.db2.gz YHXWVTKAJNNQJO-KDOFPFPSSA-N 1 1 345.399 0.932 20 30 ECEDMO COC(=O)[C@]1(O)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880563981 590405034 /nfs/dbraw/zinc/40/50/34/590405034.db2.gz YHXWVTKAJNNQJO-KDOFPFPSSA-N 1 1 345.399 0.932 20 30 ECEDMO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000877767184 590481370 /nfs/dbraw/zinc/48/13/70/590481370.db2.gz XHCCRCWDNZKNED-OAHLLOKOSA-N 1 1 345.428 0.666 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H](O)CC2(CO)CCCC2)CC1 ZINC000877893054 590485256 /nfs/dbraw/zinc/48/52/56/590485256.db2.gz JPRYIRLLCXRJGT-MRXNPFEDSA-N 1 1 339.480 0.210 20 30 ECEDMO C=CC[C@@H](C(=O)OC)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000877955866 590489171 /nfs/dbraw/zinc/48/91/71/590489171.db2.gz FQPSSTQMAWIWPU-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CC[C@@H](C(=O)OC)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000877955866 590489172 /nfs/dbraw/zinc/48/91/72/590489172.db2.gz FQPSSTQMAWIWPU-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C[NH+]1CCN(C(=O)CNc2ncc(C#N)cc2Br)CC1 ZINC000881913838 590491252 /nfs/dbraw/zinc/49/12/52/590491252.db2.gz WSSOWEZIRZXYRH-UHFFFAOYSA-N 1 1 338.209 0.902 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000878315910 590515624 /nfs/dbraw/zinc/51/56/24/590515624.db2.gz XZDOOIQJGJUXQC-CQSZACIVSA-N 1 1 327.450 0.173 20 30 ECEDMO C#CC[N@@H+](C[C@@H](O)Cn1c(=O)onc1-c1ccccc1)C1CSC1 ZINC000878913965 590550963 /nfs/dbraw/zinc/55/09/63/590550963.db2.gz IBAVQUPYVOGWLB-OAHLLOKOSA-N 1 1 345.424 0.915 20 30 ECEDMO C#CC[N@H+](C[C@@H](O)Cn1c(=O)onc1-c1ccccc1)C1CSC1 ZINC000878913965 590550964 /nfs/dbraw/zinc/55/09/64/590550964.db2.gz IBAVQUPYVOGWLB-OAHLLOKOSA-N 1 1 345.424 0.915 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](n3ccnn3)CC2)CC1 ZINC000878939823 590552615 /nfs/dbraw/zinc/55/26/15/590552615.db2.gz BHSKXQJTWGAVHF-MRXNPFEDSA-N 1 1 330.436 0.083 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000882735390 590578792 /nfs/dbraw/zinc/57/87/92/590578792.db2.gz FQAOKNQBRNKIQB-UHFFFAOYSA-N 1 1 346.497 0.899 20 30 ECEDMO CNC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000879338164 590580304 /nfs/dbraw/zinc/58/03/04/590580304.db2.gz NQUYBWGGKSYODA-CABCVRRESA-N 1 1 338.452 0.841 20 30 ECEDMO C#CC1(F)CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000883099037 590605044 /nfs/dbraw/zinc/60/50/44/590605044.db2.gz HULSYIBXRVUZML-UHFFFAOYSA-N 1 1 346.410 0.355 20 30 ECEDMO C#C[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000883623588 590633490 /nfs/dbraw/zinc/63/34/90/590633490.db2.gz ACRCHESSISITHR-IRXDYDNUSA-N 1 1 336.480 0.740 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884956687 590654379 /nfs/dbraw/zinc/65/43/79/590654379.db2.gz DPTCYUWIKHCQLA-KBPBESRZSA-N 1 1 330.454 0.310 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884956689 590654425 /nfs/dbraw/zinc/65/44/25/590654425.db2.gz DPTCYUWIKHCQLA-UONOGXRCSA-N 1 1 330.454 0.310 20 30 ECEDMO N#C[C@@]12CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@@H]1CS(=O)(=O)C2 ZINC000885310538 590712409 /nfs/dbraw/zinc/71/24/09/590712409.db2.gz DGHIALIKMOBGHZ-CTASWTNQSA-N 1 1 337.445 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCc2cccc(C(N)=O)c2)C1 ZINC000884116770 590744989 /nfs/dbraw/zinc/74/49/89/590744989.db2.gz FNFYBGWZCOOCRD-MRXNPFEDSA-N 1 1 328.416 0.725 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2cccc(C(N)=O)c2)C1 ZINC000884116770 590744992 /nfs/dbraw/zinc/74/49/92/590744992.db2.gz FNFYBGWZCOOCRD-MRXNPFEDSA-N 1 1 328.416 0.725 20 30 ECEDMO C=CCC1(O)CC[NH+](CC(=O)N(CC)CC(=O)NC(C)C)CC1 ZINC000886757620 590881003 /nfs/dbraw/zinc/88/10/03/590881003.db2.gz MJBBMZUQXLDCBR-UHFFFAOYSA-N 1 1 325.453 0.763 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CC1 ZINC000890133830 591135094 /nfs/dbraw/zinc/13/50/94/591135094.db2.gz QXZIORVCGNJQCX-MRXNPFEDSA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC2(CO)Cc3ccccc3C2)C1 ZINC000890365039 591152005 /nfs/dbraw/zinc/15/20/05/591152005.db2.gz NZVKHEGFTADSJU-KRWDZBQOSA-N 1 1 327.428 0.913 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC2(CO)Cc3ccccc3C2)C1 ZINC000890365039 591152008 /nfs/dbraw/zinc/15/20/08/591152008.db2.gz NZVKHEGFTADSJU-KRWDZBQOSA-N 1 1 327.428 0.913 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](O)COc2ccc(F)cc2)C1 ZINC000890374850 591154820 /nfs/dbraw/zinc/15/48/20/591154820.db2.gz NAMNNVZHNAULOQ-JKSUJKDBSA-N 1 1 349.406 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](O)COc2ccc(F)cc2)C1 ZINC000890374850 591154823 /nfs/dbraw/zinc/15/48/23/591154823.db2.gz NAMNNVZHNAULOQ-JKSUJKDBSA-N 1 1 349.406 0.962 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@H](C)C1 ZINC000947975296 611364903 /nfs/dbraw/zinc/36/49/03/611364903.db2.gz LZCYEAMTWHVJTI-PBHICJAKSA-N 1 1 327.428 0.926 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)CC[C@@H]2C1 ZINC000946631330 611375896 /nfs/dbraw/zinc/37/58/96/611375896.db2.gz BOTOTWIZRAJOHQ-GASCZTMLSA-N 1 1 328.416 0.831 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)CC[C@@H]2C1 ZINC000946651779 611390173 /nfs/dbraw/zinc/39/01/73/611390173.db2.gz FNSUMZMSRYURTN-ZNMIVQPWSA-N 1 1 345.447 0.903 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)CC[C@@H]2C1 ZINC000946661436 611399159 /nfs/dbraw/zinc/39/91/59/611399159.db2.gz WUFBDHCTOVSPES-IYBDPMFKSA-N 1 1 332.448 0.595 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1C ZINC000948069234 611407436 /nfs/dbraw/zinc/40/74/36/611407436.db2.gz DQFKLDOOUHNZFH-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(CC(=O)NC)[C@H](C)C2)CC1 ZINC000948071570 611408625 /nfs/dbraw/zinc/40/86/25/611408625.db2.gz ZANAMXTUCOPMAH-GDBMZVCRSA-N 1 1 334.464 0.047 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)C3(O)CCOCC3)C2)nc1 ZINC000930540866 611442061 /nfs/dbraw/zinc/44/20/61/611442061.db2.gz JRXXARQKKSEUAO-LSDHHAIUSA-N 1 1 333.388 0.309 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000930768812 611462533 /nfs/dbraw/zinc/46/25/33/611462533.db2.gz KAKIYBDZTBMJCP-HUUCEWRRSA-N 1 1 337.464 0.932 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)[C@H]3CC[C@H](C(=O)OC)CN3C2=O)C1 ZINC000925327110 611469908 /nfs/dbraw/zinc/46/99/08/611469908.db2.gz UIMQQVDSPSKVDE-MELADBBJSA-N 1 1 333.388 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)[C@H]3CC[C@H](C(=O)OC)CN3C2=O)C1 ZINC000925327110 611469911 /nfs/dbraw/zinc/46/99/11/611469911.db2.gz UIMQQVDSPSKVDE-MELADBBJSA-N 1 1 333.388 0.300 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC000925321447 611469259 /nfs/dbraw/zinc/46/92/59/611469259.db2.gz RBKYZCPYBFIHRD-UKRRQHHQSA-N 1 1 328.420 0.877 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000930897212 611481391 /nfs/dbraw/zinc/48/13/91/611481391.db2.gz NSAHQUMHBXXTSW-XHSDSOJGSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000930897212 611481394 /nfs/dbraw/zinc/48/13/94/611481394.db2.gz NSAHQUMHBXXTSW-XHSDSOJGSA-N 1 1 337.464 0.882 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C)on2)C[C@H]1C ZINC000947395736 611514307 /nfs/dbraw/zinc/51/43/07/611514307.db2.gz SCACABGKTXWRGH-WQVCFCJDSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C)on2)C[C@H]1C ZINC000947395736 611514311 /nfs/dbraw/zinc/51/43/11/611514311.db2.gz SCACABGKTXWRGH-WQVCFCJDSA-N 1 1 344.415 0.657 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000931902588 611584414 /nfs/dbraw/zinc/58/44/14/611584414.db2.gz VZRSJMHXSGGBFP-QAPCUYQASA-N 1 1 329.400 0.898 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@@H]1C ZINC000947571452 611601857 /nfs/dbraw/zinc/60/18/57/611601857.db2.gz FELUIGAFNQMTBS-QWHCGFSZSA-N 1 1 327.388 0.547 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000947629836 611626040 /nfs/dbraw/zinc/62/60/40/611626040.db2.gz QJLNVEHMUVKIPF-IUODEOHRSA-N 1 1 339.403 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000937344006 608606364 /nfs/dbraw/zinc/60/63/64/608606364.db2.gz UXJSYYJTYKZUSX-CVEARBPZSA-N 1 1 347.459 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000937344006 608606367 /nfs/dbraw/zinc/60/63/67/608606367.db2.gz UXJSYYJTYKZUSX-CVEARBPZSA-N 1 1 347.459 0.448 20 30 ECEDMO O=C(NCC#CCO)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000923771378 608626458 /nfs/dbraw/zinc/62/64/58/608626458.db2.gz OLAOEKOPDDVOAX-QGZVFWFLSA-N 1 1 331.416 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)C1 ZINC000924035625 608727208 /nfs/dbraw/zinc/72/72/08/608727208.db2.gz JOZUKFDPPQSWLB-CABCVRRESA-N 1 1 334.420 0.614 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)C1 ZINC000924035625 608727212 /nfs/dbraw/zinc/72/72/12/608727212.db2.gz JOZUKFDPPQSWLB-CABCVRRESA-N 1 1 334.420 0.614 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2-n2cnnn2)C[C@H]1C ZINC000947479975 608785887 /nfs/dbraw/zinc/78/58/87/608785887.db2.gz QVYYGBCYFHIKOI-NEPJUHHUSA-N 1 1 330.417 0.940 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H](C)C2)c1 ZINC000947711428 611663218 /nfs/dbraw/zinc/66/32/18/611663218.db2.gz WBQSXUUDNNPXKU-SUMWQHHRSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H](C)C2)c1 ZINC000947711428 611663221 /nfs/dbraw/zinc/66/32/21/611663221.db2.gz WBQSXUUDNNPXKU-SUMWQHHRSA-N 1 1 340.427 0.924 20 30 ECEDMO N#Cc1cccc(CNC(=O)CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000934257784 608805258 /nfs/dbraw/zinc/80/52/58/608805258.db2.gz NDSWLTDPUVKWOH-QZTJIDSGSA-N 1 1 342.443 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cn2cccn2)CC1 ZINC000947230265 608813284 /nfs/dbraw/zinc/81/32/84/608813284.db2.gz PFRLHMKLHSYZNJ-INIZCTEOSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cn2cccn2)CC1 ZINC000947230265 608813287 /nfs/dbraw/zinc/81/32/87/608813287.db2.gz PFRLHMKLHSYZNJ-INIZCTEOSA-N 1 1 343.431 0.088 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1C ZINC000947498745 608822727 /nfs/dbraw/zinc/82/27/27/608822727.db2.gz YNBWUOHMMIIVRR-NWDGAFQWSA-N 1 1 339.417 0.533 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C ZINC000947718551 611665685 /nfs/dbraw/zinc/66/56/85/611665685.db2.gz YVDRTEYPBLXJLO-UPJWGTAASA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C ZINC000947718551 611665686 /nfs/dbraw/zinc/66/56/86/611665686.db2.gz YVDRTEYPBLXJLO-UPJWGTAASA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000936605826 608864921 /nfs/dbraw/zinc/86/49/21/608864921.db2.gz VWGLHYZMPFVNOM-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000936605826 608864924 /nfs/dbraw/zinc/86/49/24/608864924.db2.gz VWGLHYZMPFVNOM-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000936910745 608865316 /nfs/dbraw/zinc/86/53/16/608865316.db2.gz KNLABIJDQPQREY-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000936910745 608865318 /nfs/dbraw/zinc/86/53/18/608865318.db2.gz KNLABIJDQPQREY-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937054282 608936581 /nfs/dbraw/zinc/93/65/81/608936581.db2.gz MGFSPNXAIZIFOJ-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO N#CCCN1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000925169225 608942150 /nfs/dbraw/zinc/94/21/50/608942150.db2.gz KAUGVRLDGAMHLQ-HUUCEWRRSA-N 1 1 337.493 0.807 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CCCN(CC#N)CC1 ZINC000948631167 611672810 /nfs/dbraw/zinc/67/28/10/611672810.db2.gz LRZVRMKHHSBYDS-LPMVOBIJSA-N 1 1 332.448 0.686 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2(CF)CCC2)C1 ZINC000936113868 608960414 /nfs/dbraw/zinc/96/04/14/608960414.db2.gz MVFHPDIXHJSDTM-CABCVRRESA-N 1 1 335.423 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2(CF)CCC2)C1 ZINC000936113868 608960416 /nfs/dbraw/zinc/96/04/16/608960416.db2.gz MVFHPDIXHJSDTM-CABCVRRESA-N 1 1 335.423 0.941 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947218050 608969701 /nfs/dbraw/zinc/96/97/01/608969701.db2.gz VSXVWPINLQOJNR-QWHCGFSZSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(CO)(C(F)(F)F)CC2)CC1 ZINC000932825670 611674903 /nfs/dbraw/zinc/67/49/03/611674903.db2.gz ZISPCMQTNIGGOD-UHFFFAOYSA-N 1 1 347.381 0.401 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CSC ZINC000937205818 609041528 /nfs/dbraw/zinc/04/15/28/609041528.db2.gz DPRKYWLOTQMPJM-GJZGRUSLSA-N 1 1 337.489 0.944 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CSC ZINC000937205818 609041529 /nfs/dbraw/zinc/04/15/29/609041529.db2.gz DPRKYWLOTQMPJM-GJZGRUSLSA-N 1 1 337.489 0.944 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000937224403 609061426 /nfs/dbraw/zinc/06/14/26/609061426.db2.gz OLDJIIIYZKJIAF-IRXDYDNUSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000937224403 609061428 /nfs/dbraw/zinc/06/14/28/609061428.db2.gz OLDJIIIYZKJIAF-IRXDYDNUSA-N 1 1 343.427 0.979 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C[C@@H]1C ZINC000947762635 611680814 /nfs/dbraw/zinc/68/08/14/611680814.db2.gz XRURAOMLRTUDSU-KBPBESRZSA-N 1 1 344.419 0.436 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000936370801 609100726 /nfs/dbraw/zinc/10/07/26/609100726.db2.gz OJXKNAKBNGPKNE-STQMWFEESA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000936370801 609100729 /nfs/dbraw/zinc/10/07/29/609100729.db2.gz OJXKNAKBNGPKNE-STQMWFEESA-N 1 1 327.375 0.799 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@H](C)C2)nn1 ZINC000947792326 611692536 /nfs/dbraw/zinc/69/25/36/611692536.db2.gz KXHNURHIUZHLHM-KGLIPLIRSA-N 1 1 344.423 0.339 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000938170452 609482021 /nfs/dbraw/zinc/48/20/21/609482021.db2.gz HTMOXOJMVFAUHW-BIVLZKPYSA-N 1 1 345.443 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000938170452 609482024 /nfs/dbraw/zinc/48/20/24/609482024.db2.gz HTMOXOJMVFAUHW-BIVLZKPYSA-N 1 1 345.443 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2conc2CC)C1 ZINC000938171024 609482329 /nfs/dbraw/zinc/48/23/29/609482329.db2.gz SLTBODWSYMEZMZ-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2conc2CC)C1 ZINC000938171024 609482331 /nfs/dbraw/zinc/48/23/31/609482331.db2.gz SLTBODWSYMEZMZ-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000938170502 609482878 /nfs/dbraw/zinc/48/28/78/609482878.db2.gz ITSOCJIMNMFSSZ-AVGNSLFASA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000938170502 609482879 /nfs/dbraw/zinc/48/28/79/609482879.db2.gz ITSOCJIMNMFSSZ-AVGNSLFASA-N 1 1 325.359 0.456 20 30 ECEDMO CN1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC[N@H+](C)CC1 ZINC000907787645 609621966 /nfs/dbraw/zinc/62/19/66/609621966.db2.gz DYDVHVXQQIXPKA-UHFFFAOYSA-N 1 1 342.509 0.969 20 30 ECEDMO CN1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC[N@@H+](C)CC1 ZINC000907787645 609621967 /nfs/dbraw/zinc/62/19/67/609621967.db2.gz DYDVHVXQQIXPKA-UHFFFAOYSA-N 1 1 342.509 0.969 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000907852314 609625980 /nfs/dbraw/zinc/62/59/80/609625980.db2.gz KVJUFEIVRXUYOS-UHFFFAOYSA-N 1 1 342.447 0.095 20 30 ECEDMO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000908345427 609651256 /nfs/dbraw/zinc/65/12/56/609651256.db2.gz FLVARNGRBRCHRE-QAPCUYQASA-N 1 1 344.415 0.780 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@H]1C[N@H+](C)CCN1C ZINC000919975580 609666834 /nfs/dbraw/zinc/66/68/34/609666834.db2.gz XEHUVYJVVMEUSW-IAQYHMDHSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000919975580 609666836 /nfs/dbraw/zinc/66/68/36/609666836.db2.gz XEHUVYJVVMEUSW-IAQYHMDHSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCC#CC[NH+](C)C ZINC000913518407 609685329 /nfs/dbraw/zinc/68/53/29/609685329.db2.gz NUMLVJIRNBJBHZ-LBPRGKRZSA-N 1 1 327.388 0.362 20 30 ECEDMO C#CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000920702644 609690708 /nfs/dbraw/zinc/69/07/08/609690708.db2.gz OPWPONFNVAMMNG-UHFFFAOYSA-N 1 1 343.493 0.939 20 30 ECEDMO C=CCNc1ncc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)s1 ZINC000910413791 609720507 /nfs/dbraw/zinc/72/05/07/609720507.db2.gz UXWAYOBTKNHNOM-NSHDSACASA-N 1 1 338.433 0.918 20 30 ECEDMO C=CCNc1ncc(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)s1 ZINC000910413791 609720510 /nfs/dbraw/zinc/72/05/10/609720510.db2.gz UXWAYOBTKNHNOM-NSHDSACASA-N 1 1 338.433 0.918 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C ZINC000948071379 609721561 /nfs/dbraw/zinc/72/15/61/609721561.db2.gz XNAMZTVJYXWUNV-QWHCGFSZSA-N 1 1 334.424 0.312 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC000948071433 609721859 /nfs/dbraw/zinc/72/18/59/609721859.db2.gz YCBCNRMJPURCER-GHMZBOCLSA-N 1 1 340.815 0.099 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC000948071433 609721860 /nfs/dbraw/zinc/72/18/60/609721860.db2.gz YCBCNRMJPURCER-GHMZBOCLSA-N 1 1 340.815 0.099 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000947761687 609733655 /nfs/dbraw/zinc/73/36/55/609733655.db2.gz ONXHICZDYAPRDB-CHWSQXEVSA-N 1 1 334.420 0.243 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2cccc(OC)c2)C1 ZINC000923594776 609754326 /nfs/dbraw/zinc/75/43/26/609754326.db2.gz MRKGVBWDCKQEPI-OAHLLOKOSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2cccc(OC)c2)C1 ZINC000923594776 609754327 /nfs/dbraw/zinc/75/43/27/609754327.db2.gz MRKGVBWDCKQEPI-OAHLLOKOSA-N 1 1 329.400 0.639 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(CC#N)CCC(=O)OC)C1 ZINC000913737651 609817397 /nfs/dbraw/zinc/81/73/97/609817397.db2.gz VYIURJRRSXBKFS-ZDUSSCGKSA-N 1 1 339.392 0.177 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CC#N)CCC(=O)OC)C1 ZINC000913737651 609817400 /nfs/dbraw/zinc/81/74/00/609817400.db2.gz VYIURJRRSXBKFS-ZDUSSCGKSA-N 1 1 339.392 0.177 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000913761149 609820429 /nfs/dbraw/zinc/82/04/29/609820429.db2.gz ZKUFMCWXQSDWCP-YJBOKZPZSA-N 1 1 346.406 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC000938506586 609824088 /nfs/dbraw/zinc/82/40/88/609824088.db2.gz HXEQAHHVIYIWIU-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC000938506586 609824089 /nfs/dbraw/zinc/82/40/89/609824089.db2.gz HXEQAHHVIYIWIU-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000913920153 609834375 /nfs/dbraw/zinc/83/43/75/609834375.db2.gz IXMXRUKSBGULHC-QGZVFWFLSA-N 1 1 336.480 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000938533860 609852720 /nfs/dbraw/zinc/85/27/20/609852720.db2.gz QGECETIGRHHVLQ-RLFYNMQTSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000938533860 609852721 /nfs/dbraw/zinc/85/27/21/609852721.db2.gz QGECETIGRHHVLQ-RLFYNMQTSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000911814442 609911163 /nfs/dbraw/zinc/91/11/63/609911163.db2.gz JFWQGVCZPZZUET-AWEZNQCLSA-N 1 1 349.431 0.097 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000911814442 609911164 /nfs/dbraw/zinc/91/11/64/609911164.db2.gz JFWQGVCZPZZUET-AWEZNQCLSA-N 1 1 349.431 0.097 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)ccn1 ZINC000915905552 609926948 /nfs/dbraw/zinc/92/69/48/609926948.db2.gz PDJVHQGXBSQSEW-UHFFFAOYSA-N 1 1 325.390 0.102 20 30 ECEDMO Cc1cc(C=NN2CC(=O)NC2=O)c(C)n1CC[NH+]1CCOCC1 ZINC000915956186 609927756 /nfs/dbraw/zinc/92/77/56/609927756.db2.gz SPVOYQKPJAVSCQ-UHFFFAOYSA-N 1 1 333.392 0.323 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000938705345 609953470 /nfs/dbraw/zinc/95/34/70/609953470.db2.gz IUDUPXTUZXYXAK-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCCS(=O)(=O)C[C@H]2C)CC1 ZINC000917142231 609962829 /nfs/dbraw/zinc/96/28/29/609962829.db2.gz WGRZVSCBWFWOLH-CYBMUJFWSA-N 1 1 329.466 0.855 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cncs2)C1 ZINC000938756179 609981823 /nfs/dbraw/zinc/98/18/23/609981823.db2.gz JNZTYGSHXZSJJQ-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cncs2)C1 ZINC000938756179 609981826 /nfs/dbraw/zinc/98/18/26/609981826.db2.gz JNZTYGSHXZSJJQ-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC000938756355 609982109 /nfs/dbraw/zinc/98/21/09/609982109.db2.gz OCHYSJXCSADJKT-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC000938756355 609982112 /nfs/dbraw/zinc/98/21/12/609982112.db2.gz OCHYSJXCSADJKT-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000919296836 610038649 /nfs/dbraw/zinc/03/86/49/610038649.db2.gz LJBUOXAWHNVIML-CVEARBPZSA-N 1 1 345.447 0.276 20 30 ECEDMO N#Cc1cc(F)cc(C2(C(=O)NC[C@]3(CO)COCC[NH2+]3)CC2)c1 ZINC000913182597 610046195 /nfs/dbraw/zinc/04/61/95/610046195.db2.gz ZSLQKQPDJBPAJM-INIZCTEOSA-N 1 1 333.363 0.196 20 30 ECEDMO N#Cc1ccc(CSCC(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC000913189689 610049239 /nfs/dbraw/zinc/04/92/39/610049239.db2.gz CQQOMKQRPSILPL-MRXNPFEDSA-N 1 1 335.429 0.259 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000938999774 610065326 /nfs/dbraw/zinc/06/53/26/610065326.db2.gz XRNYMAQMGSNHHU-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000938999774 610065327 /nfs/dbraw/zinc/06/53/27/610065327.db2.gz XRNYMAQMGSNHHU-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000939677022 610086044 /nfs/dbraw/zinc/08/60/44/610086044.db2.gz IPEUXZXTVDAFCF-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000939677022 610086046 /nfs/dbraw/zinc/08/60/46/610086046.db2.gz IPEUXZXTVDAFCF-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000939697953 610089719 /nfs/dbraw/zinc/08/97/19/610089719.db2.gz FKPJFNWNHSBEDH-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000939700102 610091632 /nfs/dbraw/zinc/09/16/32/610091632.db2.gz PRWMTGHNIXHTIV-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)[nH]3)[C@@H](C)C2)nn1 ZINC000939292507 610149206 /nfs/dbraw/zinc/14/92/06/610149206.db2.gz LLQAKIVDFYKHER-AAEUAGOBSA-N 1 1 344.423 0.531 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ncccc2C)C1 ZINC000939947029 610174177 /nfs/dbraw/zinc/17/41/77/610174177.db2.gz GPGAJQCPWQTDPF-CVEARBPZSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ncccc2C)C1 ZINC000939947029 610174178 /nfs/dbraw/zinc/17/41/78/610174178.db2.gz GPGAJQCPWQTDPF-CVEARBPZSA-N 1 1 340.427 0.818 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000940063079 610198992 /nfs/dbraw/zinc/19/89/92/610198992.db2.gz XRMQUHMGSCRRBB-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000940545695 610297401 /nfs/dbraw/zinc/29/74/01/610297401.db2.gz FBWISZKPXNRUKL-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)C1 ZINC000941428503 610303673 /nfs/dbraw/zinc/30/36/73/610303673.db2.gz RNZNFEXTOIOTLB-UHFFFAOYSA-N 1 1 341.459 0.763 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431927 610312406 /nfs/dbraw/zinc/31/24/06/610312406.db2.gz WOZVOZWPADSUGS-SFHVURJKSA-N 1 1 332.492 0.713 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)C1 ZINC000941455727 610318237 /nfs/dbraw/zinc/31/82/37/610318237.db2.gz BXKTWKQZSVBGIA-DOTOQJQBSA-N 1 1 331.464 0.355 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)C1 ZINC000941462763 610321319 /nfs/dbraw/zinc/32/13/19/610321319.db2.gz DSSGZXJRGPKHBM-OAHLLOKOSA-N 1 1 329.448 0.460 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)C1 ZINC000941451604 610325968 /nfs/dbraw/zinc/32/59/68/610325968.db2.gz LYGWLZWDQKTNHN-UHFFFAOYSA-N 1 1 340.431 0.976 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000940659476 610326795 /nfs/dbraw/zinc/32/67/95/610326795.db2.gz ZAPNUNJSCPEFAK-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4nccn4C3)CC2)C1 ZINC000941464418 610333525 /nfs/dbraw/zinc/33/35/25/610333525.db2.gz JFUXTXINJFEMAU-INIZCTEOSA-N 1 1 341.459 0.297 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC000941480182 610335091 /nfs/dbraw/zinc/33/50/91/610335091.db2.gz GOZRLMDQICGITF-KRWDZBQOSA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC000941527866 610360254 /nfs/dbraw/zinc/36/02/54/610360254.db2.gz BLMKOPZDUNXISV-GOSISDBHSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C3(c4cc(C)no4)CC3)CC2)C1 ZINC000941529493 610361654 /nfs/dbraw/zinc/36/16/54/610361654.db2.gz QOKZTWCIYJKTDD-UHFFFAOYSA-N 1 1 342.443 0.866 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000941592593 610388358 /nfs/dbraw/zinc/38/83/58/610388358.db2.gz JGZCGSFMCOBXJY-CABCVRRESA-N 1 1 334.464 0.293 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000940850080 610399210 /nfs/dbraw/zinc/39/92/10/610399210.db2.gz ASEZUSHVSOAXDF-LBPRGKRZSA-N 1 1 341.843 0.551 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000940850080 610399213 /nfs/dbraw/zinc/39/92/13/610399213.db2.gz ASEZUSHVSOAXDF-LBPRGKRZSA-N 1 1 341.843 0.551 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn(CCC=C)nn3)CC2)C1 ZINC000941601249 610401513 /nfs/dbraw/zinc/40/15/13/610401513.db2.gz MFYRWGUNRJKSNB-UHFFFAOYSA-N 1 1 342.447 0.320 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603191 610403285 /nfs/dbraw/zinc/40/32/85/610403285.db2.gz GEDUFDIEJGDJGH-FUHWJXTLSA-N 1 1 330.476 0.465 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000941603269 610403370 /nfs/dbraw/zinc/40/33/70/610403370.db2.gz QQQQJBXOYOXNPX-OAGGEKHMSA-N 1 1 346.431 0.890 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603694 610403465 /nfs/dbraw/zinc/40/34/65/610403465.db2.gz MJKUVHMNAXSDOV-HKUYNNGSSA-N 1 1 344.503 0.855 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C(C)(C)C1 ZINC000940869016 610404479 /nfs/dbraw/zinc/40/44/79/610404479.db2.gz AUUOBDNCRUDVJB-AWEZNQCLSA-N 1 1 342.399 0.876 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc(C)nc3C)CC2)C1 ZINC000941611084 610407552 /nfs/dbraw/zinc/40/75/52/610407552.db2.gz KZMOKWUMDIAGTN-UHFFFAOYSA-N 1 1 327.432 0.559 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000942369733 610418429 /nfs/dbraw/zinc/41/84/29/610418429.db2.gz WRCDPBCTMQUNDA-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC000941632591 610418531 /nfs/dbraw/zinc/41/85/31/610418531.db2.gz LEJBJTINTOFIIS-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000942371019 610419410 /nfs/dbraw/zinc/41/94/10/610419410.db2.gz UXODBPWJXFTWLK-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2CN(CC#N)C2)CC1 ZINC000941636407 610422461 /nfs/dbraw/zinc/42/24/61/610422461.db2.gz KZVXKSOMKZWICE-SFHVURJKSA-N 1 1 347.507 0.993 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000940917882 610440041 /nfs/dbraw/zinc/44/00/41/610440041.db2.gz DQVXIGUZKRZHRM-UONOGXRCSA-N 1 1 343.418 0.802 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000940919158 610440450 /nfs/dbraw/zinc/44/04/50/610440450.db2.gz XLDRHZMACFHUNI-HNNXBMFYSA-N 1 1 339.403 0.521 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](C)C1 ZINC000942497417 610482138 /nfs/dbraw/zinc/48/21/38/610482138.db2.gz RZAPYZQUOAKORN-CABCVRRESA-N 1 1 341.477 0.262 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H](C)C1 ZINC000942523629 610498778 /nfs/dbraw/zinc/49/87/78/610498778.db2.gz SLXJVJDGWZMTRE-OCCSQVGLSA-N 1 1 326.404 0.827 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](C)C1 ZINC000942542873 610505921 /nfs/dbraw/zinc/50/59/21/610505921.db2.gz LVKNMNMOICEPEI-CABCVRRESA-N 1 1 343.431 0.899 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](C)C1 ZINC000942548631 610508562 /nfs/dbraw/zinc/50/85/62/610508562.db2.gz WJINQLYHZDEXAA-AAEUAGOBSA-N 1 1 344.423 0.710 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](C)C1 ZINC000942548607 610508567 /nfs/dbraw/zinc/50/85/67/610508567.db2.gz VPOKKERZQQWNAK-AAEUAGOBSA-N 1 1 342.407 0.157 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941791592 610510506 /nfs/dbraw/zinc/51/05/06/610510506.db2.gz VBWVWRIZYQIPMK-BBRMVZONSA-N 1 1 339.403 0.572 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 ZINC000941064189 610522993 /nfs/dbraw/zinc/52/29/93/610522993.db2.gz LJTYPJHHAFOBLP-STQMWFEESA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000941085542 610529183 /nfs/dbraw/zinc/52/91/83/610529183.db2.gz PQOYBXAQDNNRKG-TZMCWYRMSA-N 1 1 348.451 0.429 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000941882123 610540408 /nfs/dbraw/zinc/54/04/08/610540408.db2.gz QXHODOZTABPAQG-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc1 ZINC000941881994 610540750 /nfs/dbraw/zinc/54/07/50/610540750.db2.gz OGXNAKGKLSTYBR-GOEBONIOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)nc1 ZINC000941882332 610540977 /nfs/dbraw/zinc/54/09/77/610540977.db2.gz YRVJNJIFJNNGKE-OAHLLOKOSA-N 1 1 337.383 0.599 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2cc[nH]n2)C1 ZINC000942686761 610555976 /nfs/dbraw/zinc/55/59/76/610555976.db2.gz GQNWZHHCLMUIDH-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2cc[nH]n2)C1 ZINC000942686761 610555977 /nfs/dbraw/zinc/55/59/77/610555977.db2.gz GQNWZHHCLMUIDH-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2ccn[nH]2)C1 ZINC000942686761 610555979 /nfs/dbraw/zinc/55/59/79/610555979.db2.gz GQNWZHHCLMUIDH-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2ccn[nH]2)C1 ZINC000942686761 610555981 /nfs/dbraw/zinc/55/59/81/610555981.db2.gz GQNWZHHCLMUIDH-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941968959 610582311 /nfs/dbraw/zinc/58/23/11/610582311.db2.gz ZEUPZZWUHUXJHR-RISCZKNCSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cscn2)C1 ZINC000941245029 610616140 /nfs/dbraw/zinc/61/61/40/610616140.db2.gz FWTPZXOJJMIEMZ-HIFRSBDPSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cscn2)C1 ZINC000941245029 610616141 /nfs/dbraw/zinc/61/61/41/610616141.db2.gz FWTPZXOJJMIEMZ-HIFRSBDPSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](OC)C2CCC2)C1 ZINC000941245551 610616637 /nfs/dbraw/zinc/61/66/37/610616637.db2.gz RYZLVUQKKUVDMJ-IXDOHACOSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](OC)C2CCC2)C1 ZINC000941245551 610616640 /nfs/dbraw/zinc/61/66/40/610616640.db2.gz RYZLVUQKKUVDMJ-IXDOHACOSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)COC2CCCC2)C1 ZINC000941237508 610620906 /nfs/dbraw/zinc/62/09/06/610620906.db2.gz BIOSIGJJCDKXFT-WBVHZDCISA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)COC2CCCC2)C1 ZINC000941237508 610620908 /nfs/dbraw/zinc/62/09/08/610620908.db2.gz BIOSIGJJCDKXFT-WBVHZDCISA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000941237811 610621346 /nfs/dbraw/zinc/62/13/46/610621346.db2.gz KGFQZJFLPSYWOY-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000941237811 610621347 /nfs/dbraw/zinc/62/13/47/610621347.db2.gz KGFQZJFLPSYWOY-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC000941238077 610621936 /nfs/dbraw/zinc/62/19/36/610621936.db2.gz SFJKSDQSBHWWQV-ZBFHGGJFSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC000941238077 610621937 /nfs/dbraw/zinc/62/19/37/610621937.db2.gz SFJKSDQSBHWWQV-ZBFHGGJFSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC000942256446 610713628 /nfs/dbraw/zinc/71/36/28/610713628.db2.gz HXEQAHHVIYIWIU-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC000942256446 610713630 /nfs/dbraw/zinc/71/36/30/610713630.db2.gz HXEQAHHVIYIWIU-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000943197077 610743067 /nfs/dbraw/zinc/74/30/67/610743067.db2.gz SIMKXHSKFAWTRT-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000943197077 610743070 /nfs/dbraw/zinc/74/30/70/610743070.db2.gz SIMKXHSKFAWTRT-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 ZINC000944155374 610770279 /nfs/dbraw/zinc/77/02/79/610770279.db2.gz ONHUCZOJNFAAGE-NEPJUHHUSA-N 1 1 330.392 0.434 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)[C@@H](C)C1 ZINC000944831627 610801660 /nfs/dbraw/zinc/80/16/60/610801660.db2.gz QUOKTYZUOGHQKQ-BBRMVZONSA-N 1 1 328.416 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2cc[nH]n2)C1 ZINC000943338786 610808349 /nfs/dbraw/zinc/80/83/49/610808349.db2.gz ZASJSSRMDICCBD-HOCLYGCPSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2cc[nH]n2)C1 ZINC000943338786 610808352 /nfs/dbraw/zinc/80/83/52/610808352.db2.gz ZASJSSRMDICCBD-HOCLYGCPSA-N 1 1 343.431 0.618 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000944305273 610830443 /nfs/dbraw/zinc/83/04/43/610830443.db2.gz LZRMEBMKEWOHFM-FPCVCCKLSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccnn3C)C[C@H]2C)nn1 ZINC000943480486 610867538 /nfs/dbraw/zinc/86/75/38/610867538.db2.gz DHLLZQFLUSOZGJ-UKRRQHHQSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]2C)nn1 ZINC000943480943 610868204 /nfs/dbraw/zinc/86/82/04/610868204.db2.gz HFPZKUAWIDYTRP-OCCSQVGLSA-N 1 1 344.423 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C[C@H]2C)nn1 ZINC000943480943 610868207 /nfs/dbraw/zinc/86/82/07/610868207.db2.gz HFPZKUAWIDYTRP-OCCSQVGLSA-N 1 1 344.423 0.233 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H](C)C#N)CC3)C1 ZINC000945035659 610890297 /nfs/dbraw/zinc/89/02/97/610890297.db2.gz QVWGWGAMQNGXEN-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H](C)C#N)CC3)C1 ZINC000945035659 610890298 /nfs/dbraw/zinc/89/02/98/610890298.db2.gz QVWGWGAMQNGXEN-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000944478934 610910621 /nfs/dbraw/zinc/91/06/21/610910621.db2.gz KENACLGCTCGTGA-HOCLYGCPSA-N 1 1 344.415 0.070 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000944478934 610910622 /nfs/dbraw/zinc/91/06/22/610910622.db2.gz KENACLGCTCGTGA-HOCLYGCPSA-N 1 1 344.415 0.070 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H](C)C1 ZINC000943649487 610928322 /nfs/dbraw/zinc/92/83/22/610928322.db2.gz YKKQEKOIGUHLPV-RISCZKNCSA-N 1 1 327.388 0.404 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C(C)(F)F ZINC000943819187 610994373 /nfs/dbraw/zinc/99/43/73/610994373.db2.gz NTOBOBHACSKOCI-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C(C)(F)F ZINC000943819187 610994375 /nfs/dbraw/zinc/99/43/75/610994375.db2.gz NTOBOBHACSKOCI-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000944600646 611008233 /nfs/dbraw/zinc/00/82/33/611008233.db2.gz LAMBLRVNWWCLLD-LSDHHAIUSA-N 1 1 335.448 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cn[nH]c1 ZINC000943883554 611013192 /nfs/dbraw/zinc/01/31/92/611013192.db2.gz KOERPPSPUOJUTE-CABCVRRESA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cn[nH]c1 ZINC000943883554 611013195 /nfs/dbraw/zinc/01/31/95/611013195.db2.gz KOERPPSPUOJUTE-CABCVRRESA-N 1 1 329.404 0.228 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C ZINC000945319503 611023356 /nfs/dbraw/zinc/02/33/56/611023356.db2.gz UZORMKWGXUQCJP-XJKSGUPXSA-N 1 1 328.416 0.958 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC000943973100 611061603 /nfs/dbraw/zinc/06/16/03/611061603.db2.gz BTWJXPADOIBOHF-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC000943973987 611061987 /nfs/dbraw/zinc/06/19/87/611061987.db2.gz OACZOWXGFGVZNP-CABCVRRESA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 ZINC000944032259 611097264 /nfs/dbraw/zinc/09/72/64/611097264.db2.gz GIOBBSQSHKOYLE-KBPBESRZSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000945699754 611127931 /nfs/dbraw/zinc/12/79/31/611127931.db2.gz AVYSUYPJIWNPSD-INIZCTEOSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000945699754 611127933 /nfs/dbraw/zinc/12/79/33/611127933.db2.gz AVYSUYPJIWNPSD-INIZCTEOSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ocnc1C ZINC000944100039 611131788 /nfs/dbraw/zinc/13/17/88/611131788.db2.gz MCMJVDNAQGNILL-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ocnc1C ZINC000944100039 611131789 /nfs/dbraw/zinc/13/17/89/611131789.db2.gz MCMJVDNAQGNILL-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](C)O)C[C@H]3CC2)nn1 ZINC000946810492 611169842 /nfs/dbraw/zinc/16/98/42/611169842.db2.gz HNAGVGSNPILTKU-SOUVJXGZSA-N 1 1 333.436 0.629 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]2C1 ZINC000946820651 611172584 /nfs/dbraw/zinc/17/25/84/611172584.db2.gz BSMLIUBIEADADC-OKILXGFUSA-N 1 1 331.416 0.233 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)CC[C@@H]2C1 ZINC000946859048 611202289 /nfs/dbraw/zinc/20/22/89/611202289.db2.gz JILIAKQNJSKRNP-GASCZTMLSA-N 1 1 348.447 0.627 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946887307 611226938 /nfs/dbraw/zinc/22/69/38/611226938.db2.gz FRWGZUONZIDBEP-GASCZTMLSA-N 1 1 331.416 0.329 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC[C@@H]2C1 ZINC000946896959 611237535 /nfs/dbraw/zinc/23/75/35/611237535.db2.gz RPXIYQXDLAPBTM-QLFBSQMISA-N 1 1 341.477 0.425 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)CC[C@@H]2C1 ZINC000946899200 611241344 /nfs/dbraw/zinc/24/13/44/611241344.db2.gz DGODWSPSOBJYPQ-OKILXGFUSA-N 1 1 326.400 0.598 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC[C@@H]2C1 ZINC000946911231 611254751 /nfs/dbraw/zinc/25/47/51/611254751.db2.gz JTGVCAYNONEQFF-XHSDSOJGSA-N 1 1 332.448 0.723 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(Nc3nn[nH]n3)c2)C1 ZINC000923554733 611260059 /nfs/dbraw/zinc/26/00/59/611260059.db2.gz OTSAYCOFRLOBDW-AWEZNQCLSA-N 1 1 325.376 0.771 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(Nc3nn[nH]n3)c2)C1 ZINC000923554733 611260061 /nfs/dbraw/zinc/26/00/61/611260061.db2.gz OTSAYCOFRLOBDW-AWEZNQCLSA-N 1 1 325.376 0.771 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 ZINC000923560103 611261600 /nfs/dbraw/zinc/26/16/00/611261600.db2.gz ZIJXVUAJVQECRX-CYBMUJFWSA-N 1 1 340.383 0.196 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 ZINC000923560103 611261602 /nfs/dbraw/zinc/26/16/02/611261602.db2.gz ZIJXVUAJVQECRX-CYBMUJFWSA-N 1 1 340.383 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)C1 ZINC000923563623 611263331 /nfs/dbraw/zinc/26/33/31/611263331.db2.gz IKUNWPSMSQKPGO-KBPBESRZSA-N 1 1 328.420 0.777 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)C1 ZINC000923563623 611263332 /nfs/dbraw/zinc/26/33/32/611263332.db2.gz IKUNWPSMSQKPGO-KBPBESRZSA-N 1 1 328.420 0.777 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCOc2ccc(C(N)=O)cc2)C1 ZINC000923571138 611264796 /nfs/dbraw/zinc/26/47/96/611264796.db2.gz ZUSBPUZGZBAGPA-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCOc2ccc(C(N)=O)cc2)C1 ZINC000923571138 611264799 /nfs/dbraw/zinc/26/47/99/611264799.db2.gz ZUSBPUZGZBAGPA-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2cccc(OCC(=O)NC)c2)C1 ZINC000923572530 611265255 /nfs/dbraw/zinc/26/52/55/611265255.db2.gz YCJRMKSMVPFMNG-INIZCTEOSA-N 1 1 343.427 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cccc(OCC(=O)NC)c2)C1 ZINC000923572530 611265256 /nfs/dbraw/zinc/26/52/56/611265256.db2.gz YCJRMKSMVPFMNG-INIZCTEOSA-N 1 1 343.427 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc3c(C)cccc3c2=O)C1 ZINC000923589431 611270323 /nfs/dbraw/zinc/27/03/23/611270323.db2.gz RCCSXSSGDZYEIV-OAHLLOKOSA-N 1 1 338.411 0.919 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cnc3c(C)cccc3c2=O)C1 ZINC000923589431 611270325 /nfs/dbraw/zinc/27/03/25/611270325.db2.gz RCCSXSSGDZYEIV-OAHLLOKOSA-N 1 1 338.411 0.919 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000923590620 611270951 /nfs/dbraw/zinc/27/09/51/611270951.db2.gz YHZIEUJIVCVEPO-GJZGRUSLSA-N 1 1 329.400 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000923590620 611270953 /nfs/dbraw/zinc/27/09/53/611270953.db2.gz YHZIEUJIVCVEPO-GJZGRUSLSA-N 1 1 329.400 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)C1 ZINC000923591116 611270979 /nfs/dbraw/zinc/27/09/79/611270979.db2.gz NUWWKVUDHGCMGO-MRXNPFEDSA-N 1 1 338.415 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)C1 ZINC000923591116 611270980 /nfs/dbraw/zinc/27/09/80/611270980.db2.gz NUWWKVUDHGCMGO-MRXNPFEDSA-N 1 1 338.415 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1 ZINC000923592800 611271022 /nfs/dbraw/zinc/27/10/22/611271022.db2.gz USPBDAHXIDWVPN-OAHLLOKOSA-N 1 1 349.456 0.778 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1 ZINC000923592800 611271023 /nfs/dbraw/zinc/27/10/23/611271023.db2.gz USPBDAHXIDWVPN-OAHLLOKOSA-N 1 1 349.456 0.778 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)OC)CC[C@@H]3C2)C1=O ZINC000946505788 611287521 /nfs/dbraw/zinc/28/75/21/611287521.db2.gz IZQSETIOAMPPAE-NCOADZHNSA-N 1 1 349.475 0.979 20 30 ECEDMO C[N@@H+](CCNC(=O)c1ccc(C#N)c(Cl)c1)CCOCCO ZINC000922116779 611336643 /nfs/dbraw/zinc/33/66/43/611336643.db2.gz LMSDGJJRWGDUEH-UHFFFAOYSA-N 1 1 325.796 0.882 20 30 ECEDMO N#CC[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000929157075 611733810 /nfs/dbraw/zinc/73/38/10/611733810.db2.gz RVUQUGFMPKDJTH-GFCCVEGCSA-N 1 1 329.447 0.765 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCO[C@@](C)(C#N)C2)C1 ZINC000933593961 611735021 /nfs/dbraw/zinc/73/50/21/611735021.db2.gz FZWFWWYAJVTRBV-RDJZCZTQSA-N 1 1 338.452 0.074 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933723443 611744278 /nfs/dbraw/zinc/74/42/78/611744278.db2.gz NOBXHHPGFPBOOJ-OKILXGFUSA-N 1 1 333.413 0.863 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2c3ccccc3CCN2CC#N)C1 ZINC000948987446 611788176 /nfs/dbraw/zinc/78/81/76/611788176.db2.gz YDSLZNURLBQUBZ-QZTJIDSGSA-N 1 1 342.443 0.946 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2c3ccccc3CCN2CC#N)C1 ZINC000948987446 611788179 /nfs/dbraw/zinc/78/81/79/611788179.db2.gz YDSLZNURLBQUBZ-QZTJIDSGSA-N 1 1 342.443 0.946 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929822397 611797605 /nfs/dbraw/zinc/79/76/05/611797605.db2.gz ALQONDRRIKPRAB-HOSILWTGSA-N 1 1 329.404 0.663 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929822397 611797607 /nfs/dbraw/zinc/79/76/07/611797607.db2.gz ALQONDRRIKPRAB-HOSILWTGSA-N 1 1 329.404 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1conc1C ZINC000950754967 611890165 /nfs/dbraw/zinc/89/01/65/611890165.db2.gz AIHDHVPYZQKRSJ-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1conc1C ZINC000950754967 611890167 /nfs/dbraw/zinc/89/01/67/611890167.db2.gz AIHDHVPYZQKRSJ-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c(C)n[nH]c1C ZINC000950755117 611890594 /nfs/dbraw/zinc/89/05/94/611890594.db2.gz DTRZNNIWHZSFPE-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c(C)n[nH]c1C ZINC000950755117 611890597 /nfs/dbraw/zinc/89/05/97/611890597.db2.gz DTRZNNIWHZSFPE-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(C)n1 ZINC000950755001 611890608 /nfs/dbraw/zinc/89/06/08/611890608.db2.gz BBICILQSGGZFDK-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(C)n1 ZINC000950755001 611890609 /nfs/dbraw/zinc/89/06/09/611890609.db2.gz BBICILQSGGZFDK-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccnnc1C ZINC000950755177 611890845 /nfs/dbraw/zinc/89/08/45/611890845.db2.gz FWQNMTWAAREIKP-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccnnc1C ZINC000950755177 611890847 /nfs/dbraw/zinc/89/08/47/611890847.db2.gz FWQNMTWAAREIKP-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1occc1C ZINC000950755823 611891356 /nfs/dbraw/zinc/89/13/56/611891356.db2.gz VMJURAHVJRZNGO-CVEARBPZSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1occc1C ZINC000950755823 611891357 /nfs/dbraw/zinc/89/13/57/611891357.db2.gz VMJURAHVJRZNGO-CVEARBPZSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]nc1CC ZINC000950755844 611891799 /nfs/dbraw/zinc/89/17/99/611891799.db2.gz VXHQWXZUHDPSIU-CJNGLKHVSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]nc1CC ZINC000950755844 611891801 /nfs/dbraw/zinc/89/18/01/611891801.db2.gz VXHQWXZUHDPSIU-CJNGLKHVSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C[C@H]1CCOC1 ZINC000950755898 611891977 /nfs/dbraw/zinc/89/19/77/611891977.db2.gz XJQLHAZHGOBNRR-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C[C@H]1CCOC1 ZINC000950755898 611891980 /nfs/dbraw/zinc/89/19/80/611891980.db2.gz XJQLHAZHGOBNRR-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(=O)[nH]c1 ZINC000950755948 611892023 /nfs/dbraw/zinc/89/20/23/611892023.db2.gz YLXKIWNLAUTHKZ-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(=O)[nH]c1 ZINC000950755948 611892026 /nfs/dbraw/zinc/89/20/26/611892026.db2.gz YLXKIWNLAUTHKZ-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950764107 611896183 /nfs/dbraw/zinc/89/61/83/611896183.db2.gz IVSMEMDQEZZDCV-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950764107 611896184 /nfs/dbraw/zinc/89/61/84/611896184.db2.gz IVSMEMDQEZZDCV-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCc3[nH]nnc3C1)CCO2 ZINC000949226388 611908413 /nfs/dbraw/zinc/90/84/13/611908413.db2.gz GNYUYPAJUMRIMP-AWEZNQCLSA-N 1 1 345.447 0.789 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCc3nn[nH]c3C1)CCO2 ZINC000949226388 611908414 /nfs/dbraw/zinc/90/84/14/611908414.db2.gz GNYUYPAJUMRIMP-AWEZNQCLSA-N 1 1 345.447 0.789 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000950854023 611946337 /nfs/dbraw/zinc/94/63/37/611946337.db2.gz CBBRIYORDQCFPO-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000950855097 611947181 /nfs/dbraw/zinc/94/71/81/611947181.db2.gz YGSMYQARODJCED-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000949412564 611969926 /nfs/dbraw/zinc/96/99/26/611969926.db2.gz YUILVRLBNYHSGP-UHFFFAOYSA-N 1 1 345.399 0.709 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000949412564 611969928 /nfs/dbraw/zinc/96/99/28/611969928.db2.gz YUILVRLBNYHSGP-UHFFFAOYSA-N 1 1 345.399 0.709 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC000949423675 611973993 /nfs/dbraw/zinc/97/39/93/611973993.db2.gz KHPZEUCCGFPZEB-UHFFFAOYSA-N 1 1 345.399 0.709 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC000949423675 611973995 /nfs/dbraw/zinc/97/39/95/611973995.db2.gz KHPZEUCCGFPZEB-UHFFFAOYSA-N 1 1 345.399 0.709 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000949485940 612000094 /nfs/dbraw/zinc/00/00/94/612000094.db2.gz QGBLPXVGNOUVGA-HEHGZKQESA-N 1 1 343.431 0.947 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)c1 ZINC000950411360 612006521 /nfs/dbraw/zinc/00/65/21/612006521.db2.gz YSSPMTUMRYVWNX-KRWDZBQOSA-N 1 1 339.399 0.078 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000949498558 612008584 /nfs/dbraw/zinc/00/85/84/612008584.db2.gz SYUWBAFNJHGAGQ-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(CC(=O)N2CCCC2)C1 ZINC000950534036 612058006 /nfs/dbraw/zinc/05/80/06/612058006.db2.gz OILQBZIDBZUFFT-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(CC(=O)N2CCCC2)C1 ZINC000950534036 612058007 /nfs/dbraw/zinc/05/80/07/612058007.db2.gz OILQBZIDBZUFFT-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2coc(C)n2)C1 ZINC000950554241 612066910 /nfs/dbraw/zinc/06/69/10/612066910.db2.gz IFGANTBXVXJLDV-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2coc(C)n2)C1 ZINC000950554241 612066911 /nfs/dbraw/zinc/06/69/11/612066911.db2.gz IFGANTBXVXJLDV-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cccnc2)C1 ZINC000951223427 612088516 /nfs/dbraw/zinc/08/85/16/612088516.db2.gz HNRVQNMWBDEFSL-IRXDYDNUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cccnc2)C1 ZINC000951223427 612088518 /nfs/dbraw/zinc/08/85/18/612088518.db2.gz HNRVQNMWBDEFSL-IRXDYDNUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2conc2C)C1 ZINC000951865334 612104017 /nfs/dbraw/zinc/10/40/17/612104017.db2.gz PVDSBJMROLGZMM-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2conc2C)C1 ZINC000951865334 612104018 /nfs/dbraw/zinc/10/40/18/612104018.db2.gz PVDSBJMROLGZMM-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000951957642 612152591 /nfs/dbraw/zinc/15/25/91/612152591.db2.gz GIENXIPBVPXFCM-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC000952014459 612177396 /nfs/dbraw/zinc/17/73/96/612177396.db2.gz MLANTOOIFHTAFD-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC000953167245 612189850 /nfs/dbraw/zinc/18/98/50/612189850.db2.gz JLZBDMZLFRPIGG-LPHOPBHVSA-N 1 1 329.444 0.803 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC000951376308 612192139 /nfs/dbraw/zinc/19/21/39/612192139.db2.gz BXHCWNRYEGHGTB-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC000951386212 612199080 /nfs/dbraw/zinc/19/90/80/612199080.db2.gz XFLSKRVSOXRQPS-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1)C2 ZINC000952152563 612251391 /nfs/dbraw/zinc/25/13/91/612251391.db2.gz JPPIBSFUMCAHQL-HOTGVXAUSA-N 1 1 340.427 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000951495312 612269501 /nfs/dbraw/zinc/26/95/01/612269501.db2.gz YIYQVMPCJXRUFK-JKSUJKDBSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC000953906739 612426258 /nfs/dbraw/zinc/42/62/58/612426258.db2.gz LKWWLADWDYTJPO-OAHLLOKOSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000955339710 612459620 /nfs/dbraw/zinc/45/96/20/612459620.db2.gz KQOAQLMSABQIGZ-WBVHZDCISA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccn(C)c2)C1 ZINC000954630782 612467968 /nfs/dbraw/zinc/46/79/68/612467968.db2.gz JKVOSMGYBRDABW-INIZCTEOSA-N 1 1 328.416 0.406 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccn(C)c2)C1 ZINC000954630782 612467972 /nfs/dbraw/zinc/46/79/72/612467972.db2.gz JKVOSMGYBRDABW-INIZCTEOSA-N 1 1 328.416 0.406 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000954631181 612469143 /nfs/dbraw/zinc/46/91/43/612469143.db2.gz RLVXDAIIXWDZAY-WBVHZDCISA-N 1 1 346.475 0.095 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2ccon2)C1 ZINC000954631636 612470049 /nfs/dbraw/zinc/47/00/49/612470049.db2.gz ICHNXTSFHDXMRJ-INIZCTEOSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2ccon2)C1 ZINC000954631636 612470053 /nfs/dbraw/zinc/47/00/53/612470053.db2.gz ICHNXTSFHDXMRJ-INIZCTEOSA-N 1 1 344.415 0.374 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000955348764 612479306 /nfs/dbraw/zinc/47/93/06/612479306.db2.gz CRBLAYOPYDTDEZ-CXAGYDPISA-N 1 1 340.427 0.543 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000956775476 612514395 /nfs/dbraw/zinc/51/43/95/612514395.db2.gz LNTDOYUCNCOTQO-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@](C)(NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000956777410 612520437 /nfs/dbraw/zinc/52/04/37/612520437.db2.gz XRUZXMBTLHSSTD-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000953996035 612533597 /nfs/dbraw/zinc/53/35/97/612533597.db2.gz LHWGMOKQXZFHPM-HNNXBMFYSA-N 1 1 329.404 0.653 20 30 ECEDMO N#Cc1ccccc1CN1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000951754620 612559295 /nfs/dbraw/zinc/55/92/95/612559295.db2.gz NQFISSSUEKLIOH-UHFFFAOYSA-N 1 1 342.443 0.925 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956838970 612609420 /nfs/dbraw/zinc/60/94/20/612609420.db2.gz VWNCLBSIQQOLCA-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954108165 612671140 /nfs/dbraw/zinc/67/11/40/612671140.db2.gz OOVRRSOAFISAKT-GFCCVEGCSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ncc[nH]2)C1 ZINC000956900884 612689337 /nfs/dbraw/zinc/68/93/37/612689337.db2.gz QJQVQUAMILXPGM-GUYCJALGSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ncc[nH]2)C1 ZINC000956900884 612689340 /nfs/dbraw/zinc/68/93/40/612689340.db2.gz QJQVQUAMILXPGM-GUYCJALGSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1[nH]cnc1C ZINC000956095556 612701710 /nfs/dbraw/zinc/70/17/10/612701710.db2.gz ZUUHSUMLWHWABD-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1[nH]cnc1C ZINC000956095556 612701713 /nfs/dbraw/zinc/70/17/13/612701713.db2.gz ZUUHSUMLWHWABD-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nccn2CC)C1 ZINC000954170961 612734924 /nfs/dbraw/zinc/73/49/24/612734924.db2.gz MELCPSXCRBLUIZ-HNNXBMFYSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nccn2CC)C1 ZINC000954170961 612734926 /nfs/dbraw/zinc/73/49/26/612734926.db2.gz MELCPSXCRBLUIZ-HNNXBMFYSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000954989297 612838621 /nfs/dbraw/zinc/83/86/21/612838621.db2.gz VXHZRPPCWPEEIR-IKGGRYGDSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000954989297 612838623 /nfs/dbraw/zinc/83/86/23/612838623.db2.gz VXHZRPPCWPEEIR-IKGGRYGDSA-N 1 1 347.459 0.568 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC000954307737 612839973 /nfs/dbraw/zinc/83/99/73/612839973.db2.gz CJMCJMNTHMPVRB-ZDUSSCGKSA-N 1 1 346.435 0.089 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(C)(NC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000956340807 612842145 /nfs/dbraw/zinc/84/21/45/612842145.db2.gz MVVYHUYWRNVYJC-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954411303 612896937 /nfs/dbraw/zinc/89/69/37/612896937.db2.gz NZPVNNCUWJALLG-SIXLDLHFSA-N 1 1 349.475 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)C2=COCCO2)C1 ZINC000956668072 612930102 /nfs/dbraw/zinc/93/01/02/612930102.db2.gz MIPIIPXKZNOXOX-KBXCAEBGSA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)C2=COCCO2)C1 ZINC000956668072 612930103 /nfs/dbraw/zinc/93/01/03/612930103.db2.gz MIPIIPXKZNOXOX-KBXCAEBGSA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cc(C)on2)C1 ZINC000956680553 612932273 /nfs/dbraw/zinc/93/22/73/612932273.db2.gz VXSFHBYHPUBXGQ-MAUKXSAKSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cc(C)on2)C1 ZINC000956680553 612932274 /nfs/dbraw/zinc/93/22/74/612932274.db2.gz VXSFHBYHPUBXGQ-MAUKXSAKSA-N 1 1 344.415 0.801 20 30 ECEDMO Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C#N)n1 ZINC001164739876 720747147 /nfs/dbraw/zinc/74/71/47/720747147.db2.gz JEFJDZSLFCLZKH-UONOGXRCSA-N 1 1 337.387 0.789 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)Nc2cnc(C#N)cn2)C1 ZINC001098215594 735305428 /nfs/dbraw/zinc/30/54/28/735305428.db2.gz RBRNVHOBGOQXOI-OCCSQVGLSA-N 1 1 332.408 0.374 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC000971897699 735335768 /nfs/dbraw/zinc/33/57/68/735335768.db2.gz FLNWNTSXPLKDMC-AWEZNQCLSA-N 1 1 334.420 0.612 20 30 ECEDMO C=C(Cl)CN(CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098561186 735471351 /nfs/dbraw/zinc/47/13/51/735471351.db2.gz VVBCUJAJRQXSMS-CQSZACIVSA-N 1 1 329.872 0.976 20 30 ECEDMO C=C(Cl)CN(CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098561186 735471352 /nfs/dbraw/zinc/47/13/52/735471352.db2.gz VVBCUJAJRQXSMS-CQSZACIVSA-N 1 1 329.872 0.976 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC000971996552 735481667 /nfs/dbraw/zinc/48/16/67/735481667.db2.gz FEUVONZQFOKTHY-BBWFWOEESA-N 1 1 337.464 0.585 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn4nccc4nc3C)[C@H]2C1 ZINC001083236410 735508709 /nfs/dbraw/zinc/50/87/09/735508709.db2.gz AOGTTZKBIVJZJT-LSDHHAIUSA-N 1 1 327.388 0.749 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn4nccc4nc3C)[C@H]2C1 ZINC001083236410 735508710 /nfs/dbraw/zinc/50/87/10/735508710.db2.gz AOGTTZKBIVJZJT-LSDHHAIUSA-N 1 1 327.388 0.749 20 30 ECEDMO Cn1ncc(C[NH2+]C[C@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)n1 ZINC001024933266 738408226 /nfs/dbraw/zinc/40/82/26/738408226.db2.gz ZEFRMTJQDGDNDX-CQSZACIVSA-N 1 1 327.392 0.799 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]c(CC)n1 ZINC001104530346 738440391 /nfs/dbraw/zinc/44/03/91/738440391.db2.gz NEDCKRVYWQPWDM-CYBMUJFWSA-N 1 1 331.420 0.746 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC000969135877 731518207 /nfs/dbraw/zinc/51/82/07/731518207.db2.gz HZFVQYOIZKFXPT-DLBZAZTESA-N 1 1 335.448 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC001041797000 782230223 /nfs/dbraw/zinc/23/02/23/782230223.db2.gz FLYFFHAIIVKGMN-GOSISDBHSA-N 1 1 328.416 0.499 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1COCCO1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969321455 731717793 /nfs/dbraw/zinc/71/77/93/731717793.db2.gz DOMFCBRMBFWOBD-CRAIPNDOSA-N 1 1 328.412 0.890 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC000969326115 731720851 /nfs/dbraw/zinc/72/08/51/731720851.db2.gz DSCWVTSEOVYCGL-WBMJQRKESA-N 1 1 345.447 0.809 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(=O)n3C)[C@H]2C1 ZINC001083188789 731766253 /nfs/dbraw/zinc/76/62/53/731766253.db2.gz MHBRAOKKEPKDAQ-JKSUJKDBSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000969403151 731807054 /nfs/dbraw/zinc/80/70/54/731807054.db2.gz ZKMSPJOWYKUGIX-NHYWBVRUSA-N 1 1 331.420 0.555 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969409706 731817762 /nfs/dbraw/zinc/81/77/62/731817762.db2.gz LMGNCMVCEQURLZ-SUMWQHHRSA-N 1 1 343.402 0.892 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(CC)n2)C1 ZINC001098523560 731893384 /nfs/dbraw/zinc/89/33/84/731893384.db2.gz CLKKCEWEUNSMAS-AWEZNQCLSA-N 1 1 343.431 0.747 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[NH+]1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000969465591 731912059 /nfs/dbraw/zinc/91/20/59/731912059.db2.gz GLMRVAJPAOUMDL-WDEREUQCSA-N 1 1 329.404 0.604 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3coc(C)n3)C2)C1=O ZINC000969548831 731957649 /nfs/dbraw/zinc/95/76/49/731957649.db2.gz OSQRGSMEXGRDAQ-IAQYHMDHSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cnnc(C)c3)C2)C1=O ZINC000969560009 731967412 /nfs/dbraw/zinc/96/74/12/731967412.db2.gz BHXQRRPSJXVAOP-CZUORRHYSA-N 1 1 343.431 0.622 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000969592770 731991492 /nfs/dbraw/zinc/99/14/92/731991492.db2.gz AUMJPSAZPJCGFT-BONVTDFDSA-N 1 1 346.362 0.742 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C[C@H](OC)C(F)(F)F)CC1 ZINC001098524126 732006179 /nfs/dbraw/zinc/00/61/79/732006179.db2.gz CUBUMVKGVZDVOV-ZDUSSCGKSA-N 1 1 336.354 0.872 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973049215 738582459 /nfs/dbraw/zinc/58/24/59/738582459.db2.gz ZKPBJZDLNGCTKI-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973049215 738582462 /nfs/dbraw/zinc/58/24/62/738582462.db2.gz ZKPBJZDLNGCTKI-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000969786930 732354236 /nfs/dbraw/zinc/35/42/36/732354236.db2.gz WFROENAVROJZHM-CQSZACIVSA-N 1 1 330.363 0.653 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001208963445 732438840 /nfs/dbraw/zinc/43/88/40/732438840.db2.gz KPMRHRDCOLKGSJ-XNRPHZJLSA-N 1 1 345.447 0.399 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001208963445 732438845 /nfs/dbraw/zinc/43/88/45/732438845.db2.gz KPMRHRDCOLKGSJ-XNRPHZJLSA-N 1 1 345.447 0.399 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nccnc2C)C1 ZINC000969865154 732461733 /nfs/dbraw/zinc/46/17/33/732461733.db2.gz KHCMUZQVFVRGIJ-KSSFIOAISA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nccnc2C)C1 ZINC000969865154 732461741 /nfs/dbraw/zinc/46/17/41/732461741.db2.gz KHCMUZQVFVRGIJ-KSSFIOAISA-N 1 1 341.459 0.819 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nccnc2C)C1 ZINC000969865154 732461746 /nfs/dbraw/zinc/46/17/46/732461746.db2.gz KHCMUZQVFVRGIJ-KSSFIOAISA-N 1 1 341.459 0.819 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nnnn2C)c1 ZINC001025078328 738610834 /nfs/dbraw/zinc/61/08/34/738610834.db2.gz UQMVNFSSRDZSBQ-OAHLLOKOSA-N 1 1 339.403 0.371 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nnc(C)[nH]2)nn1 ZINC001025107384 738661474 /nfs/dbraw/zinc/66/14/74/738661474.db2.gz FYAZLLRZSFFAGZ-CYBMUJFWSA-N 1 1 344.423 0.675 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125327233 733047655 /nfs/dbraw/zinc/04/76/55/733047655.db2.gz JCVITANDIDPWAL-HUUCEWRRSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CC[N@@H+](CCO)C1CCN(C(=O)c2cnccc2N(C)C)CC1 ZINC001098534756 733104588 /nfs/dbraw/zinc/10/45/88/733104588.db2.gz DOPHTBZKCHNPSW-UHFFFAOYSA-N 1 1 330.432 0.680 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnccc2N(C)C)CC1 ZINC001098534756 733104590 /nfs/dbraw/zinc/10/45/90/733104590.db2.gz DOPHTBZKCHNPSW-UHFFFAOYSA-N 1 1 330.432 0.680 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnc(CC)[nH]3)C2)nn1 ZINC000970205116 733198553 /nfs/dbraw/zinc/19/85/53/733198553.db2.gz DBXPBZWFCDKCHE-NWDGAFQWSA-N 1 1 344.423 0.710 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCC3)C2)cc1 ZINC000970253596 733257116 /nfs/dbraw/zinc/25/71/16/733257116.db2.gz MRQSJLNXIMHBFQ-AWEZNQCLSA-N 1 1 325.412 0.950 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970263793 733272580 /nfs/dbraw/zinc/27/25/80/733272580.db2.gz FLDYJFRNSWVTIJ-YOEHRIQHSA-N 1 1 325.412 0.611 20 30 ECEDMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000970289178 733313064 /nfs/dbraw/zinc/31/30/64/733313064.db2.gz CRMKMSZEFZUENB-LLVKDONJSA-N 1 1 325.376 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1ccc(C#N)nn1 ZINC001104253135 733367813 /nfs/dbraw/zinc/36/78/13/733367813.db2.gz GJAJGWGQWUHBEL-HIFRSBDPSA-N 1 1 326.404 0.610 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1ccc(C#N)nn1 ZINC001104253135 733367815 /nfs/dbraw/zinc/36/78/15/733367815.db2.gz GJAJGWGQWUHBEL-HIFRSBDPSA-N 1 1 326.404 0.610 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCCC3)C2)c1 ZINC000970399258 733470758 /nfs/dbraw/zinc/47/07/58/733470758.db2.gz OMEVBBPKAKNZFA-CQSZACIVSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC000970401672 733473059 /nfs/dbraw/zinc/47/30/59/733473059.db2.gz QQUHIZYUQDTABI-GUYCJALGSA-N 1 1 340.427 0.734 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1nccnc1C#N ZINC001104269990 733537670 /nfs/dbraw/zinc/53/76/70/733537670.db2.gz LLQXWJBDARLLLL-OUCADQQQSA-N 1 1 332.408 0.232 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1nccnc1C#N ZINC001104269990 733537672 /nfs/dbraw/zinc/53/76/72/733537672.db2.gz LLQXWJBDARLLLL-OUCADQQQSA-N 1 1 332.408 0.232 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1ccc(C#N)nn1 ZINC001104269769 733537716 /nfs/dbraw/zinc/53/77/16/733537716.db2.gz FPHPVHWKYBDTFC-YRGRVCCFSA-N 1 1 332.408 0.232 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1ccc(C#N)nn1 ZINC001104269769 733537720 /nfs/dbraw/zinc/53/77/20/733537720.db2.gz FPHPVHWKYBDTFC-YRGRVCCFSA-N 1 1 332.408 0.232 20 30 ECEDMO N#CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)cc1 ZINC000970446023 733543027 /nfs/dbraw/zinc/54/30/27/733543027.db2.gz SBKUDQXGKSBASZ-CQSZACIVSA-N 1 1 340.387 0.640 20 30 ECEDMO C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104274439 733556647 /nfs/dbraw/zinc/55/66/47/733556647.db2.gz PLSKGTDYIUILDV-ZIAGYGMSSA-N 1 1 346.435 0.056 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCNC3=O)C2)cc1 ZINC000970538575 733657565 /nfs/dbraw/zinc/65/75/65/733657565.db2.gz QNXKWNLROVFRLQ-GUYCJALGSA-N 1 1 341.411 0.637 20 30 ECEDMO C#CCCS(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000289180619 733700696 /nfs/dbraw/zinc/70/06/96/733700696.db2.gz NGUXEIGJBSBADB-IRXDYDNUSA-N 1 1 336.457 0.812 20 30 ECEDMO C#CCCS(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000289180619 733700700 /nfs/dbraw/zinc/70/07/00/733700700.db2.gz NGUXEIGJBSBADB-IRXDYDNUSA-N 1 1 336.457 0.812 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC001078139795 782360665 /nfs/dbraw/zinc/36/06/65/782360665.db2.gz IFYBCWLBMZTBAJ-GHMZBOCLSA-N 1 1 332.326 0.639 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001111985453 738759083 /nfs/dbraw/zinc/75/90/83/738759083.db2.gz JNCOXHUAZKZAEY-OAHLLOKOSA-N 1 1 343.431 0.708 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC000970763227 733925394 /nfs/dbraw/zinc/92/53/94/733925394.db2.gz JVGLTHCEGUSUCT-STQMWFEESA-N 1 1 328.416 0.590 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC000970763476 733925953 /nfs/dbraw/zinc/92/59/53/733925953.db2.gz LQUFXENUVZVNGV-DYVFJYSZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC000970763468 733926148 /nfs/dbraw/zinc/92/61/48/733926148.db2.gz LQUFXENUVZVNGV-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC000970839839 734005387 /nfs/dbraw/zinc/00/53/87/734005387.db2.gz FBARYFZDNGUNIF-CYBMUJFWSA-N 1 1 326.404 0.815 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000973126346 738792980 /nfs/dbraw/zinc/79/29/80/738792980.db2.gz MTFJBVAPBYXTOX-IIAWOOMASA-N 1 1 346.431 0.382 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000973126346 738792982 /nfs/dbraw/zinc/79/29/82/738792982.db2.gz MTFJBVAPBYXTOX-IIAWOOMASA-N 1 1 346.431 0.382 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2nc(C)cc(C#N)n2)CCO1 ZINC001104322740 734301111 /nfs/dbraw/zinc/30/11/11/734301111.db2.gz AKUXEHCGGJBCAO-HNNXBMFYSA-N 1 1 346.435 0.320 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 ZINC001104323334 734303568 /nfs/dbraw/zinc/30/35/68/734303568.db2.gz OJABMDUCQRXUAD-AWEZNQCLSA-N 1 1 332.408 0.011 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c3ccccc3oc2=O)C1 ZINC001078163366 782408024 /nfs/dbraw/zinc/40/80/24/782408024.db2.gz JXUDMQIAQABBCA-UKRRQHHQSA-N 1 1 345.399 0.722 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)c2cnn(C)c2OC)CC1 ZINC001098548842 734339714 /nfs/dbraw/zinc/33/97/14/734339714.db2.gz ZZQIXMRYAPYWON-UHFFFAOYSA-N 1 1 334.420 0.351 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104334928 734395451 /nfs/dbraw/zinc/39/54/51/734395451.db2.gz RGJCRIZHKSBIBO-HNNXBMFYSA-N 1 1 340.387 0.480 20 30 ECEDMO CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000971289471 734423080 /nfs/dbraw/zinc/42/30/80/734423080.db2.gz SOZSVPXNELGLAA-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3ccn(C)c3)C2)C1=O ZINC000971339730 734457711 /nfs/dbraw/zinc/45/77/11/734457711.db2.gz HUIZIPDHQOHNMO-HOTGVXAUSA-N 1 1 330.432 0.958 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971375495 734487556 /nfs/dbraw/zinc/48/75/56/734487556.db2.gz AOIKVKUNXCQIMA-AWEZNQCLSA-N 1 1 330.392 0.058 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000971378309 734488988 /nfs/dbraw/zinc/48/89/88/734488988.db2.gz HZZPQTREMULIRS-ZWKOTPCHSA-N 1 1 342.443 0.922 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1)C1CCC1 ZINC001104353353 734606891 /nfs/dbraw/zinc/60/68/91/734606891.db2.gz UYCXMMJWTLYEIE-CQSZACIVSA-N 1 1 344.419 0.154 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nnnc3C(C)C)[C@H]2C1 ZINC001083218299 734614977 /nfs/dbraw/zinc/61/49/77/734614977.db2.gz LGTHQLBMDDDCGP-UONOGXRCSA-N 1 1 334.424 0.284 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078174301 782428748 /nfs/dbraw/zinc/42/87/48/782428748.db2.gz HWJCDDSDXBICSW-KBAYOESNSA-N 1 1 345.418 0.290 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971544690 734738090 /nfs/dbraw/zinc/73/80/90/734738090.db2.gz DKOLNDVCEIYBFS-AWEZNQCLSA-N 1 1 343.366 0.417 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545623 734739610 /nfs/dbraw/zinc/73/96/10/734739610.db2.gz VPHIEESDWJGLAA-NSHDSACASA-N 1 1 331.405 0.339 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC001083221458 734814659 /nfs/dbraw/zinc/81/46/59/734814659.db2.gz CREWKWNPUSNJFP-YESZJQIVSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC001083221458 734814663 /nfs/dbraw/zinc/81/46/63/734814663.db2.gz CREWKWNPUSNJFP-YESZJQIVSA-N 1 1 335.448 0.875 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000973190171 738879268 /nfs/dbraw/zinc/87/92/68/738879268.db2.gz CJUKTCCTBRYQLA-JURCDPSOSA-N 1 1 343.431 0.994 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001078199658 782479190 /nfs/dbraw/zinc/47/91/90/782479190.db2.gz RDKGIKVNVDWYCT-IAGOWNOFSA-N 1 1 329.400 0.121 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000971849335 735235086 /nfs/dbraw/zinc/23/50/86/735235086.db2.gz VXQNTYXPDBUNQW-UHOFOFEASA-N 1 1 341.415 0.653 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC001098558406 735252575 /nfs/dbraw/zinc/25/25/75/735252575.db2.gz BAXIIYPOFVDCIW-UHFFFAOYSA-N 1 1 332.448 0.878 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC000972074238 735613856 /nfs/dbraw/zinc/61/38/56/735613856.db2.gz YRRFEKJQSDMKCW-ZDUSSCGKSA-N 1 1 336.436 0.673 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078078 735617602 /nfs/dbraw/zinc/61/76/02/735617602.db2.gz CGZBIPAVFLHURA-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)NC1=O ZINC000972087174 735626784 /nfs/dbraw/zinc/62/67/84/735626784.db2.gz QKBAHSIJAUHENW-HOTGVXAUSA-N 1 1 341.415 0.615 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)[C@H]2C1 ZINC001083242875 735673435 /nfs/dbraw/zinc/67/34/35/735673435.db2.gz COYWXEZWVRYHKR-XOKHGSTOSA-N 1 1 328.416 0.450 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)[C@H]2C1 ZINC001083242874 735673517 /nfs/dbraw/zinc/67/35/17/735673517.db2.gz COYWXEZWVRYHKR-RRQGHBQHSA-N 1 1 328.416 0.450 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3n[nH]cc3F)C2)C1=O ZINC000972271641 735869940 /nfs/dbraw/zinc/86/99/40/735869940.db2.gz LPNDJWJKJDLCNZ-AAEUAGOBSA-N 1 1 335.383 0.482 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCOCC3)C2)C1 ZINC000972276485 735876078 /nfs/dbraw/zinc/87/60/78/735876078.db2.gz UOCPFUYZPFUFGA-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCOCC3)C2)C1 ZINC000972276485 735876082 /nfs/dbraw/zinc/87/60/82/735876082.db2.gz UOCPFUYZPFUFGA-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@H+](CCc1ccnn1C)CCO2 ZINC000972297974 735907724 /nfs/dbraw/zinc/90/77/24/735907724.db2.gz OWYOLFWTUIOJHM-YOEHRIQHSA-N 1 1 331.420 0.426 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCc1ccnn1C)CCO2 ZINC000972297974 735907727 /nfs/dbraw/zinc/90/77/27/735907727.db2.gz OWYOLFWTUIOJHM-YOEHRIQHSA-N 1 1 331.420 0.426 20 30 ECEDMO Cn1cc(CC[N@@H+]2CCO[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)cn1 ZINC000972380294 736048449 /nfs/dbraw/zinc/04/84/49/736048449.db2.gz HHODCYHHFCUTQV-LJQANCHMSA-N 1 1 342.443 0.679 20 30 ECEDMO Cn1cc(CC[N@H+]2CCO[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)cn1 ZINC000972380294 736048454 /nfs/dbraw/zinc/04/84/54/736048454.db2.gz HHODCYHHFCUTQV-LJQANCHMSA-N 1 1 342.443 0.679 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(=O)NC)nc3)[C@H]2C1 ZINC001083250730 736083167 /nfs/dbraw/zinc/08/31/67/736083167.db2.gz IAJHVLZSFJUAQJ-JKSUJKDBSA-N 1 1 344.415 0.543 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3CC#C)C2)C1 ZINC000972416271 736154060 /nfs/dbraw/zinc/15/40/60/736154060.db2.gz GOQCKPOJHUUGKP-PKOBYXMFSA-N 1 1 329.444 0.411 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3CC#C)C2)C1 ZINC000972416271 736154061 /nfs/dbraw/zinc/15/40/61/736154061.db2.gz GOQCKPOJHUUGKP-PKOBYXMFSA-N 1 1 329.444 0.411 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001078219868 782511936 /nfs/dbraw/zinc/51/19/36/782511936.db2.gz PSEBSCKAFLFXFE-ARFHVFGLSA-N 1 1 335.448 0.210 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001078219868 782511944 /nfs/dbraw/zinc/51/19/44/782511944.db2.gz PSEBSCKAFLFXFE-ARFHVFGLSA-N 1 1 335.448 0.210 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CCc2cnn(C)c2)CC1 ZINC001098571497 736173321 /nfs/dbraw/zinc/17/33/21/736173321.db2.gz RVQBRNINSJTQPR-UHFFFAOYSA-N 1 1 332.448 0.661 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 ZINC000972431900 736181982 /nfs/dbraw/zinc/18/19/82/736181982.db2.gz WNGSJCKHCVIAMV-ZWKOTPCHSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)C1=O ZINC000972434598 736185950 /nfs/dbraw/zinc/18/59/50/736185950.db2.gz XPUMCCSGWJWCPP-HUUCEWRRSA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001098575062 736482871 /nfs/dbraw/zinc/48/28/71/736482871.db2.gz APMRJEYJXFGHNX-AWEZNQCLSA-N 1 1 346.493 0.529 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NCc3ccn(CC)n3)C2)CC1 ZINC001023127866 736523014 /nfs/dbraw/zinc/52/30/14/736523014.db2.gz HAXPBIPEGKSTNF-HDICACEKSA-N 1 1 343.475 0.985 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000972525186 736570507 /nfs/dbraw/zinc/57/05/07/736570507.db2.gz ZRMUFLZSIURZBZ-QGZVFWFLSA-N 1 1 332.404 0.653 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001023296404 736656110 /nfs/dbraw/zinc/65/61/10/736656110.db2.gz WWSMFJHEVUMNFA-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cn(C)nn3)C2)C1=O ZINC001023351218 736721820 /nfs/dbraw/zinc/72/18/20/736721820.db2.gz TUHZIQJQIPNAQW-DZGCQCFKSA-N 1 1 346.435 0.044 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nonc2C)C1 ZINC001023424048 736806688 /nfs/dbraw/zinc/80/66/88/736806688.db2.gz MWEWULKASNBJQN-RDJZCZTQSA-N 1 1 345.447 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nonc2C)C1 ZINC001023424048 736806689 /nfs/dbraw/zinc/80/66/89/736806689.db2.gz MWEWULKASNBJQN-RDJZCZTQSA-N 1 1 345.447 0.804 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001023444825 736841993 /nfs/dbraw/zinc/84/19/93/736841993.db2.gz XGDZTXNRFBRVEE-CYBMUJFWSA-N 1 1 326.462 0.825 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023449263 736847662 /nfs/dbraw/zinc/84/76/62/736847662.db2.gz LHPAEJINGDGHCO-UONOGXRCSA-N 1 1 331.420 0.398 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC([N@@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098577257 736889148 /nfs/dbraw/zinc/88/91/48/736889148.db2.gz GPOZTRKTRHFNFC-HOTGVXAUSA-N 1 1 340.464 0.899 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001023511156 736936799 /nfs/dbraw/zinc/93/67/99/736936799.db2.gz XNXYVPHRRUKEQJ-IXDOHACOSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC([N@H+](CCO)Cc2ncccn2)CC1 ZINC001098577520 736942493 /nfs/dbraw/zinc/94/24/93/736942493.db2.gz LIDADKOPGASQGC-HNNXBMFYSA-N 1 1 348.447 0.853 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC([N@@H+](CCO)Cc2ncccn2)CC1 ZINC001098577520 736942499 /nfs/dbraw/zinc/94/24/99/736942499.db2.gz LIDADKOPGASQGC-HNNXBMFYSA-N 1 1 348.447 0.853 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cnco3)C2)C1=O ZINC001023517623 736950170 /nfs/dbraw/zinc/95/01/70/736950170.db2.gz DJCQHONLZOGFSM-KGLIPLIRSA-N 1 1 332.404 0.903 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001023526785 736958350 /nfs/dbraw/zinc/95/83/50/736958350.db2.gz LSRCKVQANNVGBG-RDJZCZTQSA-N 1 1 325.412 0.998 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC000972596743 737034525 /nfs/dbraw/zinc/03/45/25/737034525.db2.gz OHJOUQMFERRVJL-SFHVURJKSA-N 1 1 349.431 0.309 20 30 ECEDMO C=CCCOCC(=O)N1CCC([N@H+](CCO)CCCOC)CC1 ZINC001098578123 737044001 /nfs/dbraw/zinc/04/40/01/737044001.db2.gz YGMXFGKZBWCADL-UHFFFAOYSA-N 1 1 328.453 0.901 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 ZINC001098578326 737065298 /nfs/dbraw/zinc/06/52/98/737065298.db2.gz QYNVMLOFLLWKPB-GFCCVEGCSA-N 1 1 329.828 0.696 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NC)C2)nn1 ZINC001023639962 737125064 /nfs/dbraw/zinc/12/50/64/737125064.db2.gz RZFLGKFFAKXPPZ-ZDUSSCGKSA-N 1 1 334.424 0.042 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001023637990 737125232 /nfs/dbraw/zinc/12/52/32/737125232.db2.gz WEPDDQWAJRZBDZ-STQMWFEESA-N 1 1 334.424 0.040 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001023699504 737217126 /nfs/dbraw/zinc/21/71/26/737217126.db2.gz FWRPREXGZLREMK-LLVKDONJSA-N 1 1 334.376 0.362 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001023707278 737224331 /nfs/dbraw/zinc/22/43/31/737224331.db2.gz NZAAEOPSURCRIF-CQSZACIVSA-N 1 1 328.416 0.906 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001023729145 737251877 /nfs/dbraw/zinc/25/18/77/737251877.db2.gz IJGRBWPBRYWFRV-AWEZNQCLSA-N 1 1 328.416 0.906 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001023734515 737264194 /nfs/dbraw/zinc/26/41/94/737264194.db2.gz CQHFKIMRGJOMAD-AWEZNQCLSA-N 1 1 326.404 0.816 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972655570 737265630 /nfs/dbraw/zinc/26/56/30/737265630.db2.gz NBZDZNNOHUHHJI-QGZVFWFLSA-N 1 1 332.404 0.369 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972655570 737265631 /nfs/dbraw/zinc/26/56/31/737265631.db2.gz NBZDZNNOHUHHJI-QGZVFWFLSA-N 1 1 332.404 0.369 20 30 ECEDMO C=CCOCC[N@H+](CCO)C1CCN(C(=O)CCCC(N)=O)CC1 ZINC001098581853 737325297 /nfs/dbraw/zinc/32/52/97/737325297.db2.gz DWHJQOCVVAIEIF-UHFFFAOYSA-N 1 1 341.452 0.130 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972674323 737344344 /nfs/dbraw/zinc/34/43/44/737344344.db2.gz CIBCHPCDGNLSTC-GOSISDBHSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972674323 737344346 /nfs/dbraw/zinc/34/43/46/737344346.db2.gz CIBCHPCDGNLSTC-GOSISDBHSA-N 1 1 342.399 0.121 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972683405 737372912 /nfs/dbraw/zinc/37/29/12/737372912.db2.gz MKVXUEPOKMFIDT-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972683405 737372915 /nfs/dbraw/zinc/37/29/15/737372915.db2.gz MKVXUEPOKMFIDT-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC000972695258 737404930 /nfs/dbraw/zinc/40/49/30/737404930.db2.gz RPTBGMXJLFXMRS-GOSISDBHSA-N 1 1 348.447 0.607 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972707424 737519503 /nfs/dbraw/zinc/51/95/03/737519503.db2.gz JHTKGEFPEFNRSB-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972707424 737519506 /nfs/dbraw/zinc/51/95/06/737519506.db2.gz JHTKGEFPEFNRSB-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)nc1 ZINC000972751816 737594147 /nfs/dbraw/zinc/59/41/47/737594147.db2.gz LHIKIOZLVTVJKJ-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCN3CCNC3=O)C2)nc1 ZINC000972756250 737597428 /nfs/dbraw/zinc/59/74/28/737597428.db2.gz KJDUENYWNJYVCS-HNNXBMFYSA-N 1 1 341.415 0.234 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C)NC(=O)C2CCC2)CC1 ZINC001098583704 737605709 /nfs/dbraw/zinc/60/57/09/737605709.db2.gz ATHSOTMYICSPEA-OAHLLOKOSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3nc4nccc(C)n4n3)[C@H]2C1 ZINC001083265532 737744312 /nfs/dbraw/zinc/74/43/12/737744312.db2.gz CIFQVKTVWMHNSV-UONOGXRCSA-N 1 1 342.403 0.534 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001114944651 737908624 /nfs/dbraw/zinc/90/86/24/737908624.db2.gz IACXXGNNYIFICD-HWWDLCQESA-N 1 1 326.400 0.583 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001114944651 737908626 /nfs/dbraw/zinc/90/86/26/737908626.db2.gz IACXXGNNYIFICD-HWWDLCQESA-N 1 1 326.400 0.583 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001024438724 737974852 /nfs/dbraw/zinc/97/48/52/737974852.db2.gz VMPJZQUPNRNLDU-GJZGRUSLSA-N 1 1 343.431 0.757 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001024503761 738035548 /nfs/dbraw/zinc/03/55/48/738035548.db2.gz JYACODCGZHTYDH-RBSFLKMASA-N 1 1 337.464 0.761 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001024530275 738064937 /nfs/dbraw/zinc/06/49/37/738064937.db2.gz DCDJAUGDTBRVPH-GFCCVEGCSA-N 1 1 339.417 0.535 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001024530284 738065032 /nfs/dbraw/zinc/06/50/32/738065032.db2.gz DJVNNGXCGWTCNS-LBPRGKRZSA-N 1 1 339.417 0.535 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001024530284 738065034 /nfs/dbraw/zinc/06/50/34/738065034.db2.gz DJVNNGXCGWTCNS-LBPRGKRZSA-N 1 1 339.417 0.535 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)[C@H]21 ZINC001087279042 738076098 /nfs/dbraw/zinc/07/60/98/738076098.db2.gz QKJPTJHDFVKELW-KBMXLJTQSA-N 1 1 343.431 0.851 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCOCC3)C(C)(C)[C@H]21 ZINC001087281392 738092177 /nfs/dbraw/zinc/09/21/77/738092177.db2.gz GJJNBRVQSRXGIL-NJAFHUGGSA-N 1 1 333.476 0.947 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)ccn2)CC1 ZINC001098588117 738118582 /nfs/dbraw/zinc/11/85/82/738118582.db2.gz FKYNDCJPCBGZTO-UHFFFAOYSA-N 1 1 344.415 0.103 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCOCC3=O)C(C)(C)[C@@H]21 ZINC001087289920 738127734 /nfs/dbraw/zinc/12/77/34/738127734.db2.gz ULYFCHXZCFZIQL-KBRIMQKVSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CC3=CCCCC3)C[C@H]2O)CC1 ZINC001078228446 782527508 /nfs/dbraw/zinc/52/75/08/782527508.db2.gz QQTZWUWUUVCHKT-RTBURBONSA-N 1 1 345.487 0.993 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCn1cncn1 ZINC001024662130 738206266 /nfs/dbraw/zinc/20/62/66/738206266.db2.gz SKVHCFYGQVHDAU-OAGGEKHMSA-N 1 1 333.436 0.840 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)nn1 ZINC001024700031 738230056 /nfs/dbraw/zinc/23/00/56/738230056.db2.gz VLHIHCOYUQKFCM-HNNXBMFYSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2)nn1 ZINC001024700031 738230058 /nfs/dbraw/zinc/23/00/58/738230058.db2.gz VLHIHCOYUQKFCM-HNNXBMFYSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1 ZINC001083271392 738239697 /nfs/dbraw/zinc/23/96/97/738239697.db2.gz GEWACXAWWGEXKI-BHYGNILZSA-N 1 1 347.459 0.875 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1 ZINC001083271392 738239701 /nfs/dbraw/zinc/23/97/01/738239701.db2.gz GEWACXAWWGEXKI-BHYGNILZSA-N 1 1 347.459 0.875 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001024760537 738272828 /nfs/dbraw/zinc/27/28/28/738272828.db2.gz VKEUOPLGZGGLTI-GFCCVEGCSA-N 1 1 328.376 0.025 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C(C)(C)[C@@H]21 ZINC001087317387 738284075 /nfs/dbraw/zinc/28/40/75/738284075.db2.gz HJTUWNRSXAQFBD-KCPJHIHWSA-N 1 1 346.435 0.168 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC)cc1 ZINC001028183163 751401656 /nfs/dbraw/zinc/40/16/56/751401656.db2.gz NVIGBHARMILNOR-HNNXBMFYSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC)cc1 ZINC001028183163 751401658 /nfs/dbraw/zinc/40/16/58/751401658.db2.gz NVIGBHARMILNOR-HNNXBMFYSA-N 1 1 329.400 0.639 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@@H+]2CCO)nn1 ZINC001025275089 738998944 /nfs/dbraw/zinc/99/89/44/738998944.db2.gz SCUBHBVHEVIZDY-JKSUJKDBSA-N 1 1 333.436 0.916 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O ZINC001025283899 739008933 /nfs/dbraw/zinc/00/89/33/739008933.db2.gz CHGPNVXHNLGHGF-HUUCEWRRSA-N 1 1 348.447 0.960 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000973293239 739054762 /nfs/dbraw/zinc/05/47/62/739054762.db2.gz PLFDODJDVMPBJT-FVQBIDKESA-N 1 1 326.400 0.392 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2cc(C)ncc2C#N)C1 ZINC001104580015 739083790 /nfs/dbraw/zinc/08/37/90/739083790.db2.gz UYUTWGYMKDBRGN-WMLDXEAASA-N 1 1 345.447 0.663 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2cc(C)ncc2C#N)C1 ZINC001104580015 739083794 /nfs/dbraw/zinc/08/37/94/739083794.db2.gz UYUTWGYMKDBRGN-WMLDXEAASA-N 1 1 345.447 0.663 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)CC[NH+]2CCOCC2)n1 ZINC001104622673 739254340 /nfs/dbraw/zinc/25/43/40/739254340.db2.gz JVFYWYGDGWBFLC-AWEZNQCLSA-N 1 1 346.435 0.638 20 30 ECEDMO C[C@H](CNc1ncccc1C#N)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104623021 739256885 /nfs/dbraw/zinc/25/68/85/739256885.db2.gz QCMKGGHTWFNYSB-CQSZACIVSA-N 1 1 331.420 0.934 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001025391520 739366399 /nfs/dbraw/zinc/36/63/99/739366399.db2.gz SEAQWHRHVVBQJZ-OLZOCXBDSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000973550470 739508153 /nfs/dbraw/zinc/50/81/53/739508153.db2.gz ZBTHPHBXKZPEQB-GVRJEKJASA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282514 739649699 /nfs/dbraw/zinc/64/96/99/739649699.db2.gz HIEGVEQMTYFVDT-OWCLPIDISA-N 1 1 345.447 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001025489422 739652029 /nfs/dbraw/zinc/65/20/29/739652029.db2.gz PFPVETKYZUMHSU-CHWSQXEVSA-N 1 1 326.404 0.827 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2O)CC1 ZINC001025490592 739656942 /nfs/dbraw/zinc/65/69/42/739656942.db2.gz FRZWMPRUBWGAJY-USXIJHARSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2O)C1 ZINC001025549100 739705421 /nfs/dbraw/zinc/70/54/21/739705421.db2.gz YUMRMPPZQXSYBT-ARFHVFGLSA-N 1 1 349.475 0.905 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001025559689 739720199 /nfs/dbraw/zinc/72/01/99/739720199.db2.gz VIWLCRTWOISALG-UONOGXRCSA-N 1 1 341.415 0.795 20 30 ECEDMO CS(=O)(=O)N1CCC(C[N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001207444606 739741197 /nfs/dbraw/zinc/74/11/97/739741197.db2.gz GBGQZPIPSOSKGP-ZDUSSCGKSA-N 1 1 330.475 0.932 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001025593268 739754898 /nfs/dbraw/zinc/75/48/98/739754898.db2.gz AKUXDDYOHKDCFD-STQMWFEESA-N 1 1 342.403 0.271 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)cn1 ZINC001025598874 739764404 /nfs/dbraw/zinc/76/44/04/739764404.db2.gz CETHJIUSWSBAHK-HOCLYGCPSA-N 1 1 342.443 0.981 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025618260 739780852 /nfs/dbraw/zinc/78/08/52/739780852.db2.gz KFTDYDNAZKJTOS-QWHCGFSZSA-N 1 1 332.404 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000988062681 751488564 /nfs/dbraw/zinc/48/85/64/751488564.db2.gz NYVQZSMXXTWJFS-YESZJQIVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000988062681 751488566 /nfs/dbraw/zinc/48/85/66/751488566.db2.gz NYVQZSMXXTWJFS-YESZJQIVSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC(OCC)C2)C1=O ZINC001025766628 739932525 /nfs/dbraw/zinc/93/25/25/739932525.db2.gz NZBXONATGJRVHI-XZKIIODMSA-N 1 1 347.459 0.635 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C(F)(F)F ZINC001112033442 739970712 /nfs/dbraw/zinc/97/07/12/739970712.db2.gz INWMJUFKKZDCPN-RKDXNWHRSA-N 1 1 341.280 0.370 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058662936 740024378 /nfs/dbraw/zinc/02/43/78/740024378.db2.gz CYFVVDQHWRGWMO-CABCVRRESA-N 1 1 338.452 0.204 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001068463653 790319568 /nfs/dbraw/zinc/31/95/68/790319568.db2.gz KCLWUHWCIHPHPQ-JKSUJKDBSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2cn[nH]c2)C1 ZINC000988090189 751519255 /nfs/dbraw/zinc/51/92/55/751519255.db2.gz ZZWCNDCATLWNSG-ZBFHGGJFSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2cn[nH]c2)C1 ZINC000988090189 751519261 /nfs/dbraw/zinc/51/92/61/751519261.db2.gz ZZWCNDCATLWNSG-ZBFHGGJFSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001078234018 782533639 /nfs/dbraw/zinc/53/36/39/782533639.db2.gz IEFVPQVRJOSVHP-UKRRQHHQSA-N 1 1 328.372 0.077 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]2(C)CCCOC2)C1=O ZINC001026126605 740390530 /nfs/dbraw/zinc/39/05/30/740390530.db2.gz IGXSEMQKYQOJOB-POORBHPNSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC000973921537 740599197 /nfs/dbraw/zinc/59/91/97/740599197.db2.gz MSBJFOIOWLZTAF-LZWOXQAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC000973921537 740599199 /nfs/dbraw/zinc/59/91/99/740599199.db2.gz MSBJFOIOWLZTAF-LZWOXQAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nnc(CC)n1C ZINC001038365390 740984151 /nfs/dbraw/zinc/98/41/51/740984151.db2.gz BZGJRFZXHRRYGP-GJZGRUSLSA-N 1 1 344.463 0.166 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nnc(CC)n1C ZINC001038365390 740984155 /nfs/dbraw/zinc/98/41/55/740984155.db2.gz BZGJRFZXHRRYGP-GJZGRUSLSA-N 1 1 344.463 0.166 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112068460 741076355 /nfs/dbraw/zinc/07/63/55/741076355.db2.gz AAIVVQVYIUHJRN-GRYCIOLGSA-N 1 1 349.353 0.399 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000974197684 741089566 /nfs/dbraw/zinc/08/95/66/741089566.db2.gz MBANAOIWEGZDMJ-XHSDSOJGSA-N 1 1 328.416 0.418 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000974197684 741089568 /nfs/dbraw/zinc/08/95/68/741089568.db2.gz MBANAOIWEGZDMJ-XHSDSOJGSA-N 1 1 328.416 0.418 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nc(C2CC2)no1 ZINC001038367254 741148286 /nfs/dbraw/zinc/14/82/86/741148286.db2.gz LMBDKWKYNYSHNE-CABCVRRESA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nc(C2CC2)no1 ZINC001038367254 741148289 /nfs/dbraw/zinc/14/82/89/741148289.db2.gz LMBDKWKYNYSHNE-CABCVRRESA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn(CC)cn2)C1 ZINC000974265593 741197597 /nfs/dbraw/zinc/19/75/97/741197597.db2.gz PYLCRDDIKDYABE-LZWOXQAQSA-N 1 1 343.431 0.378 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn(CC)cn2)C1 ZINC000974265593 741197601 /nfs/dbraw/zinc/19/76/01/741197601.db2.gz PYLCRDDIKDYABE-LZWOXQAQSA-N 1 1 343.431 0.378 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC000982126361 751621633 /nfs/dbraw/zinc/62/16/33/751621633.db2.gz VHBXKTJGEBIHLY-UHFFFAOYSA-N 1 1 328.416 0.499 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3ccoc3)C2)nn1 ZINC001105155707 741422954 /nfs/dbraw/zinc/42/29/54/741422954.db2.gz RIABOSHHDGMBCE-UHFFFAOYSA-N 1 1 331.376 0.860 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H]3OCC)C2)nn1 ZINC001105171252 741438899 /nfs/dbraw/zinc/43/88/99/741438899.db2.gz FJHIJPRLASBREU-JKSUJKDBSA-N 1 1 349.435 0.379 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc[nH]c(=O)c3)C2)nn1 ZINC001105211272 741480506 /nfs/dbraw/zinc/48/05/06/741480506.db2.gz MNUBRHATBUKOMN-UHFFFAOYSA-N 1 1 328.376 0.742 20 30 ECEDMO C#CCCCCC(=O)N1CC(n2cc(C[NH2+]CCOCC)nn2)C1 ZINC001105219840 741485011 /nfs/dbraw/zinc/48/50/11/741485011.db2.gz SWWILJVTFDTFBB-UHFFFAOYSA-N 1 1 333.436 0.981 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC000982144142 751641857 /nfs/dbraw/zinc/64/18/57/751641857.db2.gz ZJICPYMURRLARF-UHFFFAOYSA-N 1 1 329.404 0.690 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CN(C)C(=O)C(C)C)C2)nn1 ZINC001105254358 741568691 /nfs/dbraw/zinc/56/86/91/741568691.db2.gz WCADJTMZSKINLZ-UHFFFAOYSA-N 1 1 348.451 0.442 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268734 741612032 /nfs/dbraw/zinc/61/20/32/741612032.db2.gz XERDJTMQNJAOIV-GDBMZVCRSA-N 1 1 343.435 0.291 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cn3nc(C)cc3C)C2)nn1 ZINC001105278682 741634147 /nfs/dbraw/zinc/63/41/47/741634147.db2.gz RALGCLCXDQOIJY-UHFFFAOYSA-N 1 1 343.435 0.841 20 30 ECEDMO C=C(Cl)CNCc1cn(C2CN(C(=O)Cn3c[nH+]cc3C)C2)nn1 ZINC001105283419 741640957 /nfs/dbraw/zinc/64/09/57/741640957.db2.gz MOZNHPPGRNXXPH-UHFFFAOYSA-N 1 1 349.826 0.709 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)c3cnn(C)c3)C2)nn1 ZINC001105292591 741654774 /nfs/dbraw/zinc/65/47/74/741654774.db2.gz WQHRBJFKXMEUFY-ZDUSSCGKSA-N 1 1 343.435 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001006681779 751663478 /nfs/dbraw/zinc/66/34/78/751663478.db2.gz SPMPRQLVPPEGHE-TZMCWYRMSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001006681779 751663481 /nfs/dbraw/zinc/66/34/81/751663481.db2.gz SPMPRQLVPPEGHE-TZMCWYRMSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001006681778 751663858 /nfs/dbraw/zinc/66/38/58/751663858.db2.gz SPMPRQLVPPEGHE-OCCSQVGLSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001006681778 751663862 /nfs/dbraw/zinc/66/38/62/751663862.db2.gz SPMPRQLVPPEGHE-OCCSQVGLSA-N 1 1 345.403 0.163 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC000982157206 751664285 /nfs/dbraw/zinc/66/42/85/751664285.db2.gz HVKGBDJGJSWKGW-MRXNPFEDSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@](C)(C=C)CC ZINC001058731148 741759788 /nfs/dbraw/zinc/75/97/88/741759788.db2.gz SVZIJUXSQRHNFN-LPHOPBHVSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@](C)(C=C)CC ZINC001058731148 741759790 /nfs/dbraw/zinc/75/97/90/741759790.db2.gz SVZIJUXSQRHNFN-LPHOPBHVSA-N 1 1 349.475 0.623 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3C[C@@H]3C)C2)nn1 ZINC001105320739 741774992 /nfs/dbraw/zinc/77/49/92/741774992.db2.gz IDUVVJWJPRMHTC-KBPBESRZSA-N 1 1 333.436 1.000 20 30 ECEDMO CC1(C)C[N@@H+](CCN2CCNC2=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974471620 741776980 /nfs/dbraw/zinc/77/69/80/741776980.db2.gz IMURWULOFXJIKS-AWEZNQCLSA-N 1 1 344.419 0.352 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+]([C@H](C)C(=O)N(C)C)CC1 ZINC000982178571 751677584 /nfs/dbraw/zinc/67/75/84/751677584.db2.gz DKAGGIVGINQMET-PMPSAXMXSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+]([C@H](C)C(=O)N(C)C)CC1 ZINC000982178571 751677586 /nfs/dbraw/zinc/67/75/86/751677586.db2.gz DKAGGIVGINQMET-PMPSAXMXSA-N 1 1 337.464 0.979 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974541101 741874346 /nfs/dbraw/zinc/87/43/46/741874346.db2.gz UDASXMDFWPSTEH-HOTGVXAUSA-N 1 1 341.411 0.973 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974541101 741874349 /nfs/dbraw/zinc/87/43/49/741874349.db2.gz UDASXMDFWPSTEH-HOTGVXAUSA-N 1 1 341.411 0.973 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974542225 741875145 /nfs/dbraw/zinc/87/51/45/741875145.db2.gz XFXROVSCLAHDOP-LSDHHAIUSA-N 1 1 342.399 0.993 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974542225 741875151 /nfs/dbraw/zinc/87/51/51/741875151.db2.gz XFXROVSCLAHDOP-LSDHHAIUSA-N 1 1 342.399 0.993 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1 ZINC000982173152 751682923 /nfs/dbraw/zinc/68/29/23/751682923.db2.gz GGUJNCHXWQSIDL-IAGOWNOFSA-N 1 1 330.432 0.846 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1 ZINC000982173152 751682928 /nfs/dbraw/zinc/68/29/28/751682928.db2.gz GGUJNCHXWQSIDL-IAGOWNOFSA-N 1 1 330.432 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cnoc2)[C@H]1C ZINC001020501241 751709566 /nfs/dbraw/zinc/70/95/66/751709566.db2.gz SVNSXLSPRFQEFS-BPUTZDHNSA-N 1 1 344.415 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cnoc2)[C@H]1C ZINC001020501241 751709569 /nfs/dbraw/zinc/70/95/69/751709569.db2.gz SVNSXLSPRFQEFS-BPUTZDHNSA-N 1 1 344.415 0.420 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3c[nH]nc3C)C(C)(C)C2)C1=O ZINC000974889263 742308715 /nfs/dbraw/zinc/30/87/15/742308715.db2.gz GNUJKRZAWAEEQR-GJZGRUSLSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3c[nH]nc3C)C(C)(C)C2)C1=O ZINC000974889263 742308722 /nfs/dbraw/zinc/30/87/22/742308722.db2.gz GNUJKRZAWAEEQR-GJZGRUSLSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)nn1 ZINC001105336330 742360986 /nfs/dbraw/zinc/36/09/86/742360986.db2.gz DFGKGMDFPJAJIZ-ZDUSSCGKSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)C1=O ZINC000974967690 742394694 /nfs/dbraw/zinc/39/46/94/742394694.db2.gz AQLYYDMGQXNJNV-XFIYOXNOSA-N 1 1 347.459 0.492 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)C1=O ZINC000974967690 742394698 /nfs/dbraw/zinc/39/46/98/742394698.db2.gz AQLYYDMGQXNJNV-XFIYOXNOSA-N 1 1 347.459 0.492 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000975049989 742472918 /nfs/dbraw/zinc/47/29/18/742472918.db2.gz SRPHRPDWBDWZFE-IXDOHACOSA-N 1 1 339.439 0.986 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000975049989 742472920 /nfs/dbraw/zinc/47/29/20/742472920.db2.gz SRPHRPDWBDWZFE-IXDOHACOSA-N 1 1 339.439 0.986 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1cc(-c2ccco2)on1 ZINC001125978803 742484868 /nfs/dbraw/zinc/48/48/68/742484868.db2.gz YRWVJJDJQLIQAB-UHFFFAOYSA-N 1 1 330.344 0.280 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@H]3CCCN(C)C3=O)C[C@]2(C)C1 ZINC000982236685 751747275 /nfs/dbraw/zinc/74/72/75/751747275.db2.gz NXVSUJICEZBFQU-DFEHZGFQSA-N 1 1 332.448 0.937 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)C1=O ZINC000982237039 751748207 /nfs/dbraw/zinc/74/82/07/751748207.db2.gz UAANVLYANKUOSP-DTDBQYNISA-N 1 1 332.448 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000975350204 742744008 /nfs/dbraw/zinc/74/40/08/742744008.db2.gz JCBFEPIORRJPKO-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000975350204 742744014 /nfs/dbraw/zinc/74/40/14/742744014.db2.gz JCBFEPIORRJPKO-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C(F)F)C1 ZINC000975364507 742755922 /nfs/dbraw/zinc/75/59/22/742755922.db2.gz YOSWGJHZFBLFJI-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C(F)F)C1 ZINC000975364507 742755926 /nfs/dbraw/zinc/75/59/26/742755926.db2.gz YOSWGJHZFBLFJI-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001006748047 751760871 /nfs/dbraw/zinc/76/08/71/751760871.db2.gz BUXYLTZBHJGYCH-CABCVRRESA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001006748047 751760878 /nfs/dbraw/zinc/76/08/78/751760878.db2.gz BUXYLTZBHJGYCH-CABCVRRESA-N 1 1 331.420 0.251 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000975359150 742777061 /nfs/dbraw/zinc/77/70/61/742777061.db2.gz DWQHEYVRYMQNDE-YESZJQIVSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000975359150 742777064 /nfs/dbraw/zinc/77/70/64/742777064.db2.gz DWQHEYVRYMQNDE-YESZJQIVSA-N 1 1 349.475 0.456 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)c(F)c1 ZINC001027162870 742895204 /nfs/dbraw/zinc/89/52/04/742895204.db2.gz WTDPUVFCCDGHIT-CYBMUJFWSA-N 1 1 342.378 0.996 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001028957623 742986912 /nfs/dbraw/zinc/98/69/12/742986912.db2.gz AKKNDTYYQZAZFN-GFCCVEGCSA-N 1 1 325.372 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccnc(C)n3)C2)C1=O ZINC001028992731 743111198 /nfs/dbraw/zinc/11/11/98/743111198.db2.gz KALKAOJAHDYENA-GOEBONIOSA-N 1 1 343.431 0.624 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccnc(C)n3)C2)C1=O ZINC001028992730 743111271 /nfs/dbraw/zinc/11/12/71/743111271.db2.gz KALKAOJAHDYENA-GDBMZVCRSA-N 1 1 343.431 0.624 20 30 ECEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C(F)(F)F ZINC001112142074 743142155 /nfs/dbraw/zinc/14/21/55/743142155.db2.gz LEYLCNAWPPIXCI-GHMZBOCLSA-N 1 1 347.341 0.908 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn[nH]2)C1 ZINC001111601379 743149383 /nfs/dbraw/zinc/14/93/83/743149383.db2.gz YUNGYDOSLUHGON-IGCXYCKISA-N 1 1 329.404 0.132 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001028231758 751798783 /nfs/dbraw/zinc/79/87/83/751798783.db2.gz VPUINSXBVSXMJI-LSDHHAIUSA-N 1 1 331.420 0.532 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000997090404 743219537 /nfs/dbraw/zinc/21/95/37/743219537.db2.gz PCKTZCWMNJKMQO-INIZCTEOSA-N 1 1 326.400 0.488 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)C1 ZINC000975719080 743262542 /nfs/dbraw/zinc/26/25/42/743262542.db2.gz POBXUELFKYFXJG-BBWFWOEESA-N 1 1 329.444 0.801 20 30 ECEDMO C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112144346 743318753 /nfs/dbraw/zinc/31/87/53/743318753.db2.gz VOVYMHXCVASMHV-UKKRHICBSA-N 1 1 332.326 0.261 20 30 ECEDMO C[NH+]=C(NCCN1CCOCC1(C)C)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000262023054 743479196 /nfs/dbraw/zinc/47/91/96/743479196.db2.gz ZECANZCWDWOZQG-GOEBONIOSA-N 1 1 337.512 0.745 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC([C@@H](C)NC(=O)c3ncn[nH]3)CC2)C1=O ZINC000997354381 743525018 /nfs/dbraw/zinc/52/50/18/743525018.db2.gz DGXWDXOBFRSYHY-TZMCWYRMSA-N 1 1 346.435 0.422 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC([C@@H](C)NC(=O)c3nc[nH]n3)CC2)C1=O ZINC000997354381 743525022 /nfs/dbraw/zinc/52/50/22/743525022.db2.gz DGXWDXOBFRSYHY-TZMCWYRMSA-N 1 1 346.435 0.422 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnn(C)n1)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001029084522 743601539 /nfs/dbraw/zinc/60/15/39/743601539.db2.gz DCLNSCKVXFEKHS-LLVKDONJSA-N 1 1 342.407 0.440 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976323409 743814980 /nfs/dbraw/zinc/81/49/80/743814980.db2.gz MULLBYGDOTXTMM-CKTDYHTKSA-N 1 1 341.415 0.271 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976324822 743815866 /nfs/dbraw/zinc/81/58/66/743815866.db2.gz WFKYDGHVMBPHJF-MYZSUADSSA-N 1 1 327.388 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC1(C)C ZINC000976376702 743889217 /nfs/dbraw/zinc/88/92/17/743889217.db2.gz OGVITMDMXLLKLF-LEOABGAYSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC1(C)C ZINC000976376702 743889223 /nfs/dbraw/zinc/88/92/23/743889223.db2.gz OGVITMDMXLLKLF-LEOABGAYSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCOCC1 ZINC000976393091 743901019 /nfs/dbraw/zinc/90/10/19/743901019.db2.gz DVILBEPFELCKBN-VVLHAWIVSA-N 1 1 343.427 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCOCC1 ZINC000976393091 743901021 /nfs/dbraw/zinc/90/10/21/743901021.db2.gz DVILBEPFELCKBN-VVLHAWIVSA-N 1 1 343.427 0.004 20 30 ECEDMO C=C(CCC(=O)OC)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001137720680 743901844 /nfs/dbraw/zinc/90/18/44/743901844.db2.gz QVBAQJTZYUTOGP-CQSZACIVSA-N 1 1 337.420 0.261 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000998028551 743938495 /nfs/dbraw/zinc/93/84/95/743938495.db2.gz YFWGLSRJMUCROL-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000976482534 743993607 /nfs/dbraw/zinc/99/36/07/743993607.db2.gz OYQUGIZVTROWQE-RRFJBIMHSA-N 1 1 343.431 0.995 20 30 ECEDMO C[N@@H+]([C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@@H]1CCCNC1=O ZINC001027371670 744017049 /nfs/dbraw/zinc/01/70/49/744017049.db2.gz GVSRZKATCMPTPK-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccn4nnnc34)C[C@@]2(C)C1 ZINC000982289541 751880665 /nfs/dbraw/zinc/88/06/65/751880665.db2.gz XBUWUKJMATVPDY-HDICACEKSA-N 1 1 338.415 0.932 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC000998190044 744040327 /nfs/dbraw/zinc/04/03/27/744040327.db2.gz SAFQUJDAWMQQCJ-DLBZAZTESA-N 1 1 335.448 0.570 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000998200148 744046652 /nfs/dbraw/zinc/04/66/52/744046652.db2.gz SUTOUSNMMFMXKO-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC000976581381 744107027 /nfs/dbraw/zinc/10/70/27/744107027.db2.gz GFDOLCHTEWSKNK-YUAHOQAQSA-N 1 1 341.455 0.990 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C2CC2)C1 ZINC001020604537 751891219 /nfs/dbraw/zinc/89/12/19/751891219.db2.gz BWMCRIWEZHTKMC-JVSQWTDWSA-N 1 1 346.435 0.897 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncc[nH]1 ZINC000976629499 744166700 /nfs/dbraw/zinc/16/67/00/744166700.db2.gz WRHITLIPXFDAKD-KFWWJZLASA-N 1 1 343.431 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncc[nH]1 ZINC000976629499 744166702 /nfs/dbraw/zinc/16/67/02/744166702.db2.gz WRHITLIPXFDAKD-KFWWJZLASA-N 1 1 343.431 0.665 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000976676259 744187504 /nfs/dbraw/zinc/18/75/04/744187504.db2.gz SVKTVGDKDYTYEJ-JTOWHCCKSA-N 1 1 338.411 0.747 20 30 ECEDMO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027406432 744187738 /nfs/dbraw/zinc/18/77/38/744187738.db2.gz RLLZPHXTUXNWQF-CVEARBPZSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001006848927 751898449 /nfs/dbraw/zinc/89/84/49/751898449.db2.gz ZZVDKIFRAIRUQX-DZGCQCFKSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001006848927 751898453 /nfs/dbraw/zinc/89/84/53/751898453.db2.gz ZZVDKIFRAIRUQX-DZGCQCFKSA-N 1 1 331.420 0.699 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001028747836 754960744 /nfs/dbraw/zinc/96/07/44/754960744.db2.gz HGPKNTUCWMXLIV-NEPJUHHUSA-N 1 1 344.253 0.954 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001028747836 754960749 /nfs/dbraw/zinc/96/07/49/754960749.db2.gz HGPKNTUCWMXLIV-NEPJUHHUSA-N 1 1 344.253 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)SC)C[C@H]21 ZINC000976740161 744251789 /nfs/dbraw/zinc/25/17/89/744251789.db2.gz MCZRQAUUCNMDBQ-SBJFKYEJSA-N 1 1 335.473 0.409 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)SC)C[C@H]21 ZINC000976740161 744251790 /nfs/dbraw/zinc/25/17/90/744251790.db2.gz MCZRQAUUCNMDBQ-SBJFKYEJSA-N 1 1 335.473 0.409 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CCCC3)C[C@H]21 ZINC000976740183 744254740 /nfs/dbraw/zinc/25/47/40/744254740.db2.gz MFVJEWYQXVJHGI-VVLHAWIVSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CCCC3)C[C@H]21 ZINC000976740183 744254743 /nfs/dbraw/zinc/25/47/43/744254743.db2.gz MFVJEWYQXVJHGI-VVLHAWIVSA-N 1 1 329.444 0.847 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C)nc3OC)C2)nn1 ZINC001105339025 744265404 /nfs/dbraw/zinc/26/54/04/744265404.db2.gz IBSBWWMYYRXIOO-UHFFFAOYSA-N 1 1 342.403 0.963 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000976757307 744272412 /nfs/dbraw/zinc/27/24/12/744272412.db2.gz SEVZGFOTCWWTMI-LJIZCISZSA-N 1 1 347.459 0.635 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000976757307 744272414 /nfs/dbraw/zinc/27/24/14/744272414.db2.gz SEVZGFOTCWWTMI-LJIZCISZSA-N 1 1 347.459 0.635 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC000998754809 744316093 /nfs/dbraw/zinc/31/60/93/744316093.db2.gz PTQYKKTVJJXGIL-CHWSQXEVSA-N 1 1 347.423 0.265 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC000998757734 744317457 /nfs/dbraw/zinc/31/74/57/744317457.db2.gz YYTKJKNATAGWTG-KBPBESRZSA-N 1 1 339.403 0.903 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(=O)n(C)cn3)C[C@@]2(C)C1 ZINC000982298480 751908883 /nfs/dbraw/zinc/90/88/83/751908883.db2.gz FZLAQZROUVXKFG-HDICACEKSA-N 1 1 328.416 0.588 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2c[nH+]cc2C)c1 ZINC000976850979 744397409 /nfs/dbraw/zinc/39/74/09/744397409.db2.gz GKGUDLUTJISXPV-VQFNDLOPSA-N 1 1 349.394 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2noc(CC)n2)C1 ZINC000998923623 744408366 /nfs/dbraw/zinc/40/83/66/744408366.db2.gz SHIKQDSBICJUPY-NRXISQOPSA-N 1 1 345.447 0.809 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2noc(CC)n2)C1 ZINC000998923623 744408367 /nfs/dbraw/zinc/40/83/67/744408367.db2.gz SHIKQDSBICJUPY-NRXISQOPSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001028250535 751924126 /nfs/dbraw/zinc/92/41/26/751924126.db2.gz GRENNRBAAIUEDG-CHWSQXEVSA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001028250535 751924129 /nfs/dbraw/zinc/92/41/29/751924129.db2.gz GRENNRBAAIUEDG-CHWSQXEVSA-N 1 1 332.404 0.714 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnnn2C(C)C)C1 ZINC000999429138 744693869 /nfs/dbraw/zinc/69/38/69/744693869.db2.gz XHMZBXFDPGSGSG-CVSAEHQPSA-N 1 1 348.451 0.924 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3nccc(C)n3)C2)nn1 ZINC000999524763 744738642 /nfs/dbraw/zinc/73/86/42/744738642.db2.gz YHSNNZDULMXNJH-UHFFFAOYSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC001114979736 744815198 /nfs/dbraw/zinc/81/51/98/744815198.db2.gz DAWBFHPPZXWYPK-VIKVFOODSA-N 1 1 334.420 0.331 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000977304254 744848446 /nfs/dbraw/zinc/84/84/46/744848446.db2.gz OMUCQYCQSAAZIP-CYBMUJFWSA-N 1 1 334.424 0.191 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C(C)(C)C1 ZINC000977315534 744857736 /nfs/dbraw/zinc/85/77/36/744857736.db2.gz DKPKSKYGVQSCSY-CYBMUJFWSA-N 1 1 329.404 0.957 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000977326307 744869629 /nfs/dbraw/zinc/86/96/29/744869629.db2.gz LDTLERKLQKQTGR-UONOGXRCSA-N 1 1 343.493 0.813 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000999865595 744963648 /nfs/dbraw/zinc/96/36/48/744963648.db2.gz UWCDJSVDQKPZKN-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cnns1 ZINC000977437473 744966503 /nfs/dbraw/zinc/96/65/03/744966503.db2.gz MSIQIVUFQRKHGV-STQMWFEESA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cnns1 ZINC000977437473 744966505 /nfs/dbraw/zinc/96/65/05/744966505.db2.gz MSIQIVUFQRKHGV-STQMWFEESA-N 1 1 347.444 0.309 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 ZINC000999957011 745097454 /nfs/dbraw/zinc/09/74/54/745097454.db2.gz SPHKFZVSFAIPJC-HOTGVXAUSA-N 1 1 349.435 0.523 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCOC3)nn2)C1 ZINC000999957624 745098451 /nfs/dbraw/zinc/09/84/51/745098451.db2.gz WFGSWELQLZKAPV-GOEBONIOSA-N 1 1 331.420 0.591 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnns3)nn2)C1 ZINC000999958229 745099070 /nfs/dbraw/zinc/09/90/70/745099070.db2.gz YHDBPGJJOYEKHF-GFCCVEGCSA-N 1 1 333.421 0.883 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nccnc3N)nn2)C1 ZINC000999960605 745103168 /nfs/dbraw/zinc/10/31/68/745103168.db2.gz CYHIDKCBWWTSKV-GFCCVEGCSA-N 1 1 328.380 0.013 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(CC)c3)nn2)C1 ZINC000999962923 745105910 /nfs/dbraw/zinc/10/59/10/745105910.db2.gz OLLXJRQFZOWYQO-OAHLLOKOSA-N 1 1 327.392 0.305 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc[nH]c(=O)c3)nn2)C1 ZINC000999971276 745119312 /nfs/dbraw/zinc/11/93/12/745119312.db2.gz NOMFYHIIKYJJGE-AWEZNQCLSA-N 1 1 326.360 0.189 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnnn3C)nn2)C1 ZINC000999982654 745134690 /nfs/dbraw/zinc/13/46/90/745134690.db2.gz FZVUIFLDJIWJJO-CQSZACIVSA-N 1 1 344.423 0.550 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNc1ccc(C#N)nc1 ZINC001111494757 745138408 /nfs/dbraw/zinc/13/84/08/745138408.db2.gz HGPRONBKGVZNJH-UHFFFAOYSA-N 1 1 333.436 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nccc(C)n3)nn2)C1 ZINC000999985882 745139452 /nfs/dbraw/zinc/13/94/52/745139452.db2.gz QMNLLKPNOJARBH-AWEZNQCLSA-N 1 1 325.376 0.187 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@]34C[C@H]3COC4)nn2)C1 ZINC000999992825 745150285 /nfs/dbraw/zinc/15/02/85/745150285.db2.gz QTRINSHVWSNXTD-QRTARXTBSA-N 1 1 331.420 0.754 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C)nn3)nn2)C1 ZINC000999992197 745150327 /nfs/dbraw/zinc/15/03/27/745150327.db2.gz PRTJXXGEEUEZPH-AWEZNQCLSA-N 1 1 325.376 0.187 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CCOC)C1 ZINC001058964958 745153303 /nfs/dbraw/zinc/15/33/03/745153303.db2.gz RNXJRAUWDZBAKW-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CCOC)C1 ZINC001058964958 745153307 /nfs/dbraw/zinc/15/33/07/745153307.db2.gz RNXJRAUWDZBAKW-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@]34C[C@H]3COC4)nn2)C1 ZINC000999994593 745154057 /nfs/dbraw/zinc/15/40/57/745154057.db2.gz ZAFOHTQPMSADSI-LXZKKBNFSA-N 1 1 331.420 0.754 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999996940 745156707 /nfs/dbraw/zinc/15/67/07/745156707.db2.gz KKDJGQJWFZANMX-IAGOWNOFSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999996940 745156712 /nfs/dbraw/zinc/15/67/12/745156712.db2.gz KKDJGQJWFZANMX-IAGOWNOFSA-N 1 1 344.463 0.649 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCNC(=O)CC3)nn2)C1 ZINC000999998929 745160001 /nfs/dbraw/zinc/16/00/01/745160001.db2.gz ACNSEEYINHFVCD-ZFWWWQNUSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(CCF)c3)nn2)C1 ZINC001000001187 745163744 /nfs/dbraw/zinc/16/37/44/745163744.db2.gz CDZUANOIIMHEBI-OAHLLOKOSA-N 1 1 345.382 0.254 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccn4nccc34)nn2)C1 ZINC001000001015 745163765 /nfs/dbraw/zinc/16/37/65/745163765.db2.gz AHMDAHDDBGMWOV-HNNXBMFYSA-N 1 1 349.398 0.736 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccnnc3C)nn2)C1 ZINC001000005049 745172381 /nfs/dbraw/zinc/17/23/81/745172381.db2.gz XZVOHLZZIFPXAL-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCNC3=O)nn2)C1 ZINC001000013690 745182941 /nfs/dbraw/zinc/18/29/41/745182941.db2.gz IQJVQRROOLIXHU-HUUCEWRRSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001000017256 745187244 /nfs/dbraw/zinc/18/72/44/745187244.db2.gz MGUGODLYRLSMAI-PMPSAXMXSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001000023489 745194503 /nfs/dbraw/zinc/19/45/03/745194503.db2.gz BWHFNJCIJMDRGQ-OAHLLOKOSA-N 1 1 325.376 0.268 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCO[C@H]3C(=C)C)nn2)C1 ZINC001000034193 745208226 /nfs/dbraw/zinc/20/82/26/745208226.db2.gz IVLSPTQOBONXTO-IKGGRYGDSA-N 1 1 343.431 0.756 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@H]3CC[N@@H+](CCF)C3)nn2)cn1 ZINC001000035506 745211049 /nfs/dbraw/zinc/21/10/49/745211049.db2.gz OFCCKZJZRKMGKQ-INIZCTEOSA-N 1 1 342.378 0.801 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@H]3CC[N@H+](CCF)C3)nn2)cn1 ZINC001000035506 745211054 /nfs/dbraw/zinc/21/10/54/745211054.db2.gz OFCCKZJZRKMGKQ-INIZCTEOSA-N 1 1 342.378 0.801 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001000038636 745217425 /nfs/dbraw/zinc/21/74/25/745217425.db2.gz YQYNLCWGBWCLEN-AWEZNQCLSA-N 1 1 327.392 0.821 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]cnc3CC)nn2)C1 ZINC001000042603 745221861 /nfs/dbraw/zinc/22/18/61/745221861.db2.gz FTNSSBQRQNRYQO-AWEZNQCLSA-N 1 1 341.419 0.764 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(C)s3)C2)nn1 ZINC001020700327 751990549 /nfs/dbraw/zinc/99/05/49/751990549.db2.gz NNQCGUDWZJIVED-XYPYZODXSA-N 1 1 333.421 0.675 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001059235425 745303153 /nfs/dbraw/zinc/30/31/53/745303153.db2.gz YIXNUOXUCQLVGY-RBSFLKMASA-N 1 1 329.404 0.733 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001059235425 745303162 /nfs/dbraw/zinc/30/31/62/745303162.db2.gz YIXNUOXUCQLVGY-RBSFLKMASA-N 1 1 329.404 0.733 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001075789638 745466371 /nfs/dbraw/zinc/46/63/71/745466371.db2.gz KZQQVNGUTWHVMD-OFQRWUPVSA-N 1 1 341.415 0.319 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3cnns3)CC2)C1=O ZINC001000475338 745530301 /nfs/dbraw/zinc/53/03/01/745530301.db2.gz HDFUSHUYZBHPQI-CYBMUJFWSA-N 1 1 347.444 0.687 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccns1 ZINC000977820728 745539195 /nfs/dbraw/zinc/53/91/95/745539195.db2.gz LMKBMAWPJVUTDF-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccns1 ZINC000977820728 745539196 /nfs/dbraw/zinc/53/91/96/745539196.db2.gz LMKBMAWPJVUTDF-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3cc(C)n[nH]3)CC2)C1=O ZINC001000491150 745542273 /nfs/dbraw/zinc/54/22/73/745542273.db2.gz MGJZEFATDSAITA-MRXNPFEDSA-N 1 1 343.431 0.867 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001000539796 745578271 /nfs/dbraw/zinc/57/82/71/745578271.db2.gz PHBONCUGLODGFN-HNNXBMFYSA-N 1 1 342.399 0.134 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001000539796 745578274 /nfs/dbraw/zinc/57/82/74/745578274.db2.gz PHBONCUGLODGFN-HNNXBMFYSA-N 1 1 342.399 0.134 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)nc1 ZINC001028269777 752020669 /nfs/dbraw/zinc/02/06/69/752020669.db2.gz VZQLALCQCKIGHL-DZGCQCFKSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)nc1 ZINC001028269777 752020677 /nfs/dbraw/zinc/02/06/77/752020677.db2.gz VZQLALCQCKIGHL-DZGCQCFKSA-N 1 1 340.383 0.062 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001028269933 752020847 /nfs/dbraw/zinc/02/08/47/752020847.db2.gz BYTWCBFWXLHSCL-DZGCQCFKSA-N 1 1 342.399 0.176 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001028269933 752020850 /nfs/dbraw/zinc/02/08/50/752020850.db2.gz BYTWCBFWXLHSCL-DZGCQCFKSA-N 1 1 342.399 0.176 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001000593941 745623453 /nfs/dbraw/zinc/62/34/53/745623453.db2.gz GDPTVJKXAQVCMN-LBPRGKRZSA-N 1 1 341.415 0.915 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001000593941 745623458 /nfs/dbraw/zinc/62/34/58/745623458.db2.gz GDPTVJKXAQVCMN-LBPRGKRZSA-N 1 1 341.415 0.915 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001029302360 745628094 /nfs/dbraw/zinc/62/80/94/745628094.db2.gz DWBASRFBBXKZNV-OWCLPIDISA-N 1 1 325.416 0.854 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001006977265 752022614 /nfs/dbraw/zinc/02/26/14/752022614.db2.gz XEMRHNXLVXXFAX-LSDHHAIUSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001006977265 752022620 /nfs/dbraw/zinc/02/26/20/752022620.db2.gz XEMRHNXLVXXFAX-LSDHHAIUSA-N 1 1 332.404 0.585 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ncccn1 ZINC000977916813 745643264 /nfs/dbraw/zinc/64/32/64/745643264.db2.gz GSNQNHDMLUAQJJ-CABCVRRESA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ncccn1 ZINC000977916813 745643267 /nfs/dbraw/zinc/64/32/67/745643267.db2.gz GSNQNHDMLUAQJJ-CABCVRRESA-N 1 1 341.415 0.247 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1ccn[nH]1 ZINC000977931089 745687799 /nfs/dbraw/zinc/68/77/99/745687799.db2.gz SXWRMLYGNUZARO-HOTGVXAUSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1cc[nH]n1 ZINC000977931089 745687802 /nfs/dbraw/zinc/68/78/02/745687802.db2.gz SXWRMLYGNUZARO-HOTGVXAUSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1cc[nH]n1 ZINC000977931089 745687803 /nfs/dbraw/zinc/68/78/03/745687803.db2.gz SXWRMLYGNUZARO-HOTGVXAUSA-N 1 1 343.431 0.109 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001000694709 745705627 /nfs/dbraw/zinc/70/56/27/745705627.db2.gz FZIUXWYNOZJXOL-OAGGEKHMSA-N 1 1 333.432 0.604 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001000694709 745705629 /nfs/dbraw/zinc/70/56/29/745705629.db2.gz FZIUXWYNOZJXOL-OAGGEKHMSA-N 1 1 333.432 0.604 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@]34C[C@H]3COC4)CC2)C1=O ZINC001000713647 745716690 /nfs/dbraw/zinc/71/66/90/745716690.db2.gz JKFNGQSXBPJXPT-FCEWJHQRSA-N 1 1 345.443 0.558 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1cnc(C#N)cn1 ZINC001126524186 745737386 /nfs/dbraw/zinc/73/73/86/745737386.db2.gz RWMFDLBHENJNLY-ZFWWWQNUSA-N 1 1 346.435 0.115 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H](C)C(=O)N(C)C)CC1 ZINC001000788633 745764578 /nfs/dbraw/zinc/76/45/78/745764578.db2.gz WMXLTYQFZADDQQ-WBVHZDCISA-N 1 1 346.475 0.309 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)CC1 ZINC001000843786 745820269 /nfs/dbraw/zinc/82/02/69/745820269.db2.gz ZUGXHBYUEBUMCD-OAHLLOKOSA-N 1 1 328.416 0.839 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001000845261 745821223 /nfs/dbraw/zinc/82/12/23/745821223.db2.gz SWADEYSALRBFOW-UHFFFAOYSA-N 1 1 336.457 0.583 20 30 ECEDMO CC#CCN1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975551 745945786 /nfs/dbraw/zinc/94/57/86/745945786.db2.gz IZKCSDDKLBAGLU-HFCFLWKCSA-N 1 1 329.444 0.621 20 30 ECEDMO CC#CCN1CC=C(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975551 745945788 /nfs/dbraw/zinc/94/57/88/745945788.db2.gz IZKCSDDKLBAGLU-HFCFLWKCSA-N 1 1 329.444 0.621 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN(C(=O)CC)C3)[C@@H]2C1 ZINC000978189775 746013139 /nfs/dbraw/zinc/01/31/39/746013139.db2.gz MDZRSFAVLMMRCT-VQHPVUNQSA-N 1 1 331.460 0.952 20 30 ECEDMO Cn1nnc(C(=O)NCC2=CC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC001001057136 746024060 /nfs/dbraw/zinc/02/40/60/746024060.db2.gz CUDFMDCLSDCPGW-UHFFFAOYSA-N 1 1 337.387 0.644 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)cc1 ZINC001041986351 782550976 /nfs/dbraw/zinc/55/09/76/782550976.db2.gz PRQFRQHGSTWQHY-JKSUJKDBSA-N 1 1 326.400 0.856 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000978235293 746069701 /nfs/dbraw/zinc/06/97/01/746069701.db2.gz NIVLKKXDFHBTHP-IAGOWNOFSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)nn2C)C1 ZINC001001100652 746075758 /nfs/dbraw/zinc/07/57/58/746075758.db2.gz NANRUWLXWPMPBD-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)nn2C)C1 ZINC001001100652 746075766 /nfs/dbraw/zinc/07/57/66/746075766.db2.gz NANRUWLXWPMPBD-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000984229926 746096169 /nfs/dbraw/zinc/09/61/69/746096169.db2.gz ZEZPWUILZDQINR-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)[C@@H]1CC ZINC001087607335 746115452 /nfs/dbraw/zinc/11/54/52/746115452.db2.gz YFKMYVJZCSPTGI-KSZLIROESA-N 1 1 343.475 0.987 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)[C@@H]1CC ZINC001087607335 746115454 /nfs/dbraw/zinc/11/54/54/746115454.db2.gz YFKMYVJZCSPTGI-KSZLIROESA-N 1 1 343.475 0.987 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=O)N2CCC2)CC1 ZINC001001163844 746128021 /nfs/dbraw/zinc/12/80/21/746128021.db2.gz QELZRJRBNNYGTL-CVEARBPZSA-N 1 1 333.432 0.558 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001001163844 746128025 /nfs/dbraw/zinc/12/80/25/746128025.db2.gz QELZRJRBNNYGTL-CVEARBPZSA-N 1 1 333.432 0.558 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H]1CC ZINC001087624633 746128297 /nfs/dbraw/zinc/12/82/97/746128297.db2.gz QEUSXIQZJZGFRO-GOEBONIOSA-N 1 1 328.416 0.715 20 30 ECEDMO CC#CCN1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665194 746169143 /nfs/dbraw/zinc/16/91/43/746169143.db2.gz BQMHPIZZFFRMJI-FNYPPERVSA-N 1 1 331.460 0.842 20 30 ECEDMO CC#CCN1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665194 746169145 /nfs/dbraw/zinc/16/91/45/746169145.db2.gz BQMHPIZZFFRMJI-FNYPPERVSA-N 1 1 331.460 0.842 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)c4ccccc43)[C@@H]2C1 ZINC000978304701 746175421 /nfs/dbraw/zinc/17/54/21/746175421.db2.gz XOTODFGZCBUHLH-TVFCKZIOSA-N 1 1 337.423 0.831 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4c3NC(=O)CO4)[C@@H]2C1 ZINC000978304689 746175450 /nfs/dbraw/zinc/17/54/50/746175450.db2.gz XMJXGCUFDPYZAL-QKDCVEJESA-N 1 1 339.395 0.948 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 ZINC000978329748 746187555 /nfs/dbraw/zinc/18/75/55/746187555.db2.gz CILMUHQGKJWPQJ-RGDJUOJXSA-N 1 1 346.349 0.650 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](CC(=O)NC2CC2)CC1 ZINC001001257611 746216688 /nfs/dbraw/zinc/21/66/88/746216688.db2.gz XHGQTTAQUNMPSK-WMZOPIPTSA-N 1 1 347.459 0.995 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001001257611 746216689 /nfs/dbraw/zinc/21/66/89/746216689.db2.gz XHGQTTAQUNMPSK-WMZOPIPTSA-N 1 1 347.459 0.995 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4ccc(OC)nn43)[C@@H]2C1 ZINC000978345056 746227412 /nfs/dbraw/zinc/22/74/12/746227412.db2.gz AYPSAGMTBBRXIL-XYYAHUGASA-N 1 1 325.372 0.279 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccnn3CC(F)(F)F)[C@@H]2C1 ZINC000978357139 746239464 /nfs/dbraw/zinc/23/94/64/746239464.db2.gz YPDLLLGAUSTNJS-CNDDSTCGSA-N 1 1 326.322 0.986 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000978360794 746242703 /nfs/dbraw/zinc/24/27/03/746242703.db2.gz MLBWCQIYCYJQJX-XYYAHUGASA-N 1 1 339.417 0.411 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3ncccn3)CC2)C1=O ZINC001001283584 746243894 /nfs/dbraw/zinc/24/38/94/746243894.db2.gz DXKIQOOYMJXOOM-OAHLLOKOSA-N 1 1 341.415 0.625 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001027614729 746247704 /nfs/dbraw/zinc/24/77/04/746247704.db2.gz DTRKRHBWYVHSDP-ZDUSSCGKSA-N 1 1 327.388 0.501 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001001311269 746268871 /nfs/dbraw/zinc/26/88/71/746268871.db2.gz SQYODSRXHGAQNG-OAHLLOKOSA-N 1 1 329.404 0.310 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2CC)nn1 ZINC001087754075 746286673 /nfs/dbraw/zinc/28/66/73/746286673.db2.gz NEPAKNBMOMXQMO-DZGCQCFKSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2CC)nn1 ZINC001087754075 746286676 /nfs/dbraw/zinc/28/66/76/746286676.db2.gz NEPAKNBMOMXQMO-DZGCQCFKSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087757699 746291283 /nfs/dbraw/zinc/29/12/83/746291283.db2.gz HNKUHBYFBXVFAO-MJBXVCDLSA-N 1 1 329.466 0.566 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001346898 746295242 /nfs/dbraw/zinc/29/52/42/746295242.db2.gz HULXLJCAIYPPLD-HNNXBMFYSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC000978411079 746301246 /nfs/dbraw/zinc/30/12/46/746301246.db2.gz CJJTWLAVWQACFE-CNDDSTCGSA-N 1 1 339.417 0.411 20 30 ECEDMO C=CCN1CC[C@@H](N2CC=C(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001001454538 746393054 /nfs/dbraw/zinc/39/30/54/746393054.db2.gz XTWPMCSGXCQMFX-DLBZAZTESA-N 1 1 346.475 0.473 20 30 ECEDMO C=CCN1CC[C@@H](N2CC=C(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001001454538 746393058 /nfs/dbraw/zinc/39/30/58/746393058.db2.gz XTWPMCSGXCQMFX-DLBZAZTESA-N 1 1 346.475 0.473 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3CC3CCC3)[C@@H]2C1 ZINC000978525105 746404021 /nfs/dbraw/zinc/40/40/21/746404021.db2.gz JAPRXKOXAPJJRP-ZJPYXAASSA-N 1 1 331.460 0.415 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3CC3CCC3)[C@@H]2C1 ZINC000978525474 746404609 /nfs/dbraw/zinc/40/46/09/746404609.db2.gz JSGNXRGJTCVGTJ-OKYOBFRVSA-N 1 1 345.487 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccn(C)n3)[C@H]2CC)C1=O ZINC001087827605 746430058 /nfs/dbraw/zinc/43/00/58/746430058.db2.gz BFLGCSIXEJZJJZ-NUEKZKHPSA-N 1 1 345.447 0.790 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001502743 746438832 /nfs/dbraw/zinc/43/88/32/746438832.db2.gz UUCVITQTXCIVGO-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001509576 746447770 /nfs/dbraw/zinc/44/77/70/746447770.db2.gz QSFYHBISESWJDD-IAQYHMDHSA-N 1 1 329.404 0.272 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001516406 746454230 /nfs/dbraw/zinc/45/42/30/746454230.db2.gz YZGXYYSBNOVIAR-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)C3(C)CC3)C2)C1=O ZINC001087854427 746507224 /nfs/dbraw/zinc/50/72/24/746507224.db2.gz HFVBQOUYIJEQJH-HZPDHXFCSA-N 1 1 349.475 0.859 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)C(C)C)C2)C1=O ZINC001087854410 746507304 /nfs/dbraw/zinc/50/73/04/746507304.db2.gz GNACIHQZBFJMFV-HZPDHXFCSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)c3cnn[nH]3)CC2)C1=O ZINC001001582654 746512896 /nfs/dbraw/zinc/51/28/96/746512896.db2.gz OBVNVMVWOJHXFV-AWEZNQCLSA-N 1 1 332.408 0.033 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4cnn(C)c4C3)[C@@H]2C1 ZINC000978624504 746519384 /nfs/dbraw/zinc/51/93/84/746519384.db2.gz ADYBUVKHNJMLSV-DZUCGIPZSA-N 1 1 326.444 0.842 20 30 ECEDMO CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1)C1CCC1 ZINC001083418763 746523628 /nfs/dbraw/zinc/52/36/28/746523628.db2.gz ZENXYFYNIQOOES-PMPSAXMXSA-N 1 1 332.404 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CCC(O)CC2)C1 ZINC001001640159 746563497 /nfs/dbraw/zinc/56/34/97/746563497.db2.gz LOVVMXWPRBBSKQ-JCYILVPMSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CCC(O)CC2)C1 ZINC001001640159 746563502 /nfs/dbraw/zinc/56/35/02/746563502.db2.gz LOVVMXWPRBBSKQ-JCYILVPMSA-N 1 1 347.459 0.210 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)ccc1F ZINC001041986531 782552514 /nfs/dbraw/zinc/55/25/14/782552514.db2.gz RRHBODAPJUXRDT-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc[nH]c2CC)C1 ZINC001001693272 746606503 /nfs/dbraw/zinc/60/65/03/746606503.db2.gz KUPCEFSKGDOMBE-KRWDZBQOSA-N 1 1 342.443 0.863 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc[nH]c2CC)C1 ZINC001001693272 746606506 /nfs/dbraw/zinc/60/65/06/746606506.db2.gz KUPCEFSKGDOMBE-KRWDZBQOSA-N 1 1 342.443 0.863 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978729880 746641619 /nfs/dbraw/zinc/64/16/19/746641619.db2.gz XGBDOZSQKYBSGC-LNSITVRQSA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001087911458 746646249 /nfs/dbraw/zinc/64/62/49/746646249.db2.gz VZYRKTWYNKNFKN-XHSDSOJGSA-N 1 1 332.448 0.939 20 30 ECEDMO CC#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059399981 746650711 /nfs/dbraw/zinc/65/07/11/746650711.db2.gz YWUQHZRXHSMAEG-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059399981 746650714 /nfs/dbraw/zinc/65/07/14/746650714.db2.gz YWUQHZRXHSMAEG-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)[nH]1 ZINC001087938849 746689039 /nfs/dbraw/zinc/68/90/39/746689039.db2.gz NAHQWOOYONJEEU-TYNCELHUSA-N 1 1 327.388 0.169 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccncc2C)C1 ZINC001001776407 746712440 /nfs/dbraw/zinc/71/24/40/746712440.db2.gz YHPSHYSQPJCHJB-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccncc2C)C1 ZINC001001776407 746712445 /nfs/dbraw/zinc/71/24/45/746712445.db2.gz YHPSHYSQPJCHJB-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)CSCC#N ZINC001211886793 746749583 /nfs/dbraw/zinc/74/95/83/746749583.db2.gz ZNXVRGJJPRQIAO-MGPQQGTHSA-N 1 1 327.450 0.485 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CCOC)nc3C)C[C@@H]2C1 ZINC001087965064 746753851 /nfs/dbraw/zinc/75/38/51/746753851.db2.gz NHNWPKMJLURUOO-CVEARBPZSA-N 1 1 330.432 0.865 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]2C1 ZINC001087968016 746760499 /nfs/dbraw/zinc/76/04/99/746760499.db2.gz WHPVHCZDHAAKGH-CABCVRRESA-N 1 1 345.443 0.575 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001027693901 746859331 /nfs/dbraw/zinc/85/93/31/746859331.db2.gz MTENUHSPAAHQBG-ZDUSSCGKSA-N 1 1 334.424 0.089 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C[C@@H]3CCc4ncnn43)C2)[nH]1 ZINC001007151130 752130399 /nfs/dbraw/zinc/13/03/99/752130399.db2.gz JSVRITHFKBSBOG-KBPBESRZSA-N 1 1 339.403 0.860 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@@H]2C1 ZINC001087989560 746941198 /nfs/dbraw/zinc/94/11/98/746941198.db2.gz MKQHOUNTWNRZNG-KFWWJZLASA-N 1 1 344.463 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccon2)C1 ZINC000978953729 746948214 /nfs/dbraw/zinc/94/82/14/746948214.db2.gz QBOBKZRFACSRNY-GUTXKFCHSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccon2)C1 ZINC000978953729 746948220 /nfs/dbraw/zinc/94/82/20/746948220.db2.gz QBOBKZRFACSRNY-GUTXKFCHSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000978954759 746950454 /nfs/dbraw/zinc/95/04/54/746950454.db2.gz YGLLKRDVKKKHJX-LZWOXQAQSA-N 1 1 343.431 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000978954759 746950459 /nfs/dbraw/zinc/95/04/59/746950459.db2.gz YGLLKRDVKKKHJX-LZWOXQAQSA-N 1 1 343.431 0.061 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(=O)NC)nc3)[C@@H]2C1 ZINC000978970365 746973535 /nfs/dbraw/zinc/97/35/35/746973535.db2.gz GVBJFLKYBKQREY-QKDCVEJESA-N 1 1 328.416 0.925 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007157299 752139053 /nfs/dbraw/zinc/13/90/53/752139053.db2.gz SIAXCEITKDRXJL-OALUTQOASA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007157299 752139056 /nfs/dbraw/zinc/13/90/56/752139056.db2.gz SIAXCEITKDRXJL-OALUTQOASA-N 1 1 341.455 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)cn1 ZINC000979003431 747029083 /nfs/dbraw/zinc/02/90/83/747029083.db2.gz LFSHMBYLOIDPTR-NXOAAHMSSA-N 1 1 338.411 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccnn4C)C[C@H]32)cn1 ZINC000979013031 747046555 /nfs/dbraw/zinc/04/65/55/747046555.db2.gz FJKSUNHKNNMCHP-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ncnc3nc[nH]c32)C1 ZINC001059455836 747071865 /nfs/dbraw/zinc/07/18/65/747071865.db2.gz FXSSAGPVZOEJAE-AVGNSLFASA-N 1 1 339.403 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ncnc3nc[nH]c32)C1 ZINC001059455836 747071871 /nfs/dbraw/zinc/07/18/71/747071871.db2.gz FXSSAGPVZOEJAE-AVGNSLFASA-N 1 1 339.403 0.510 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001002234168 747109348 /nfs/dbraw/zinc/10/93/48/747109348.db2.gz NRHRXQKFYWDIEV-CVEARBPZSA-N 1 1 346.431 0.747 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CCOC)n3)C[C@@H]2C1 ZINC001088036653 747123596 /nfs/dbraw/zinc/12/35/96/747123596.db2.gz WWCHDNGAMVCDRA-CVEARBPZSA-N 1 1 330.432 0.947 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CCOC)n3)C[C@@H]2C1 ZINC001088036458 747123771 /nfs/dbraw/zinc/12/37/71/747123771.db2.gz LQCPLMCUPDNQFL-CVEARBPZSA-N 1 1 330.432 0.947 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN(C(=O)CCC)C3)[C@@H]2C1 ZINC000979091316 747160454 /nfs/dbraw/zinc/16/04/54/747160454.db2.gz RHNUQGNQUZRRQT-LUKYLMHMSA-N 1 1 331.460 0.952 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(N)=O)[C@@H]2C1 ZINC000979112665 747199039 /nfs/dbraw/zinc/19/90/39/747199039.db2.gz HOKIEDFMUBLSHV-RVMXOQNASA-N 1 1 326.828 0.576 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)c1 ZINC001088099342 747381954 /nfs/dbraw/zinc/38/19/54/747381954.db2.gz FQYKSIRXSMZQIJ-HYVNUMGLSA-N 1 1 338.411 0.345 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001059488916 747383874 /nfs/dbraw/zinc/38/38/74/747383874.db2.gz FFCJCXHEFRWVPZ-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@@H]2C1 ZINC001088138511 747477744 /nfs/dbraw/zinc/47/77/44/747477744.db2.gz OHNKRMAFYVXVRC-NEPJUHHUSA-N 1 1 342.428 0.955 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)O ZINC001029557263 747488136 /nfs/dbraw/zinc/48/81/36/747488136.db2.gz HZQDAHRYPQMDBI-KFWWJZLASA-N 1 1 329.400 0.763 20 30 ECEDMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979285884 747536766 /nfs/dbraw/zinc/53/67/66/747536766.db2.gz CFORYSDYZSJFOY-ABAIWWIYSA-N 1 1 343.391 0.034 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001027763106 747537680 /nfs/dbraw/zinc/53/76/80/747537680.db2.gz BFDPNVGBCTWEBN-ZBFHGGJFSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001027763106 747537685 /nfs/dbraw/zinc/53/76/85/747537685.db2.gz BFDPNVGBCTWEBN-ZBFHGGJFSA-N 1 1 345.447 0.953 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 ZINC001088169209 747584042 /nfs/dbraw/zinc/58/40/42/747584042.db2.gz MLYKBZYVVZLYRX-CABCVRRESA-N 1 1 348.447 0.627 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001027776683 747596073 /nfs/dbraw/zinc/59/60/73/747596073.db2.gz WJUNXLFERTXXSR-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001027776683 747596079 /nfs/dbraw/zinc/59/60/79/747596079.db2.gz WJUNXLFERTXXSR-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001002645387 747611004 /nfs/dbraw/zinc/61/10/04/747611004.db2.gz WJDKEMQHWGVIMU-LJQANCHMSA-N 1 1 341.455 0.949 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000979328886 747622259 /nfs/dbraw/zinc/62/22/59/747622259.db2.gz ILEZYCZAOXWSJW-QXSJWSMHSA-N 1 1 346.431 0.794 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccnn2C)C1=O ZINC001027782963 747644061 /nfs/dbraw/zinc/64/40/61/747644061.db2.gz RSJNCJILLITDSR-DZGCQCFKSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccnn2C)C1=O ZINC001027782963 747644066 /nfs/dbraw/zinc/64/40/66/747644066.db2.gz RSJNCJILLITDSR-DZGCQCFKSA-N 1 1 331.420 0.401 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]2C1 ZINC001088204408 747740738 /nfs/dbraw/zinc/74/07/38/747740738.db2.gz WOOTXVFWYJZCSH-CJNGLKHVSA-N 1 1 326.400 0.598 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@H]([C@H](C)[NH2+]Cc3ccon3)C2)nn1 ZINC000979387011 747745758 /nfs/dbraw/zinc/74/57/58/747745758.db2.gz PGZATZCEZCKHHY-WFASDCNBSA-N 1 1 346.391 0.471 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]2C1 ZINC001088212406 747747479 /nfs/dbraw/zinc/74/74/79/747747479.db2.gz KGBDEIBDUSFNPI-KGLIPLIRSA-N 1 1 346.435 0.124 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)Cc3ccon3)CC2)C1=O ZINC000985344950 747755105 /nfs/dbraw/zinc/75/51/05/747755105.db2.gz GPEXYWDLCVGHSU-MRXNPFEDSA-N 1 1 346.431 0.927 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCC(=O)N1 ZINC001027792030 747769027 /nfs/dbraw/zinc/76/90/27/747769027.db2.gz HPRHLTPYWPVNRS-DLBZAZTESA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@H]1CCC(=O)N1 ZINC001027792030 747769032 /nfs/dbraw/zinc/76/90/32/747769032.db2.gz HPRHLTPYWPVNRS-DLBZAZTESA-N 1 1 325.412 0.897 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)c1nccnc1C#N ZINC001112181416 747776471 /nfs/dbraw/zinc/77/64/71/747776471.db2.gz MXGBOONYPYYEKL-KBPBESRZSA-N 1 1 330.436 0.831 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC001088230333 747782345 /nfs/dbraw/zinc/78/23/45/747782345.db2.gz NEHIHJYKVZIMQA-SFHVURJKSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001088232867 747788485 /nfs/dbraw/zinc/78/84/85/747788485.db2.gz BHNLBOYNLTZJAC-GOSISDBHSA-N 1 1 342.443 0.982 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC001088234175 747801753 /nfs/dbraw/zinc/80/17/53/747801753.db2.gz KHSBPOWDXSKOKK-HNNXBMFYSA-N 1 1 344.415 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001088235381 747815529 /nfs/dbraw/zinc/81/55/29/747815529.db2.gz QIGMSICOZDQLMK-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3n[nH]nc3C)CC2)C1 ZINC001088235993 747820947 /nfs/dbraw/zinc/82/09/47/747820947.db2.gz JAQGQLUEOKBKLI-OAHLLOKOSA-N 1 1 331.420 0.689 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)c3[nH]nnc3C)CC2)C1 ZINC001088235993 747820955 /nfs/dbraw/zinc/82/09/55/747820955.db2.gz JAQGQLUEOKBKLI-OAHLLOKOSA-N 1 1 331.420 0.689 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3[nH]nnc3C)CC2)C1 ZINC001088235993 747820962 /nfs/dbraw/zinc/82/09/62/747820962.db2.gz JAQGQLUEOKBKLI-OAHLLOKOSA-N 1 1 331.420 0.689 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001088236940 747833170 /nfs/dbraw/zinc/83/31/70/747833170.db2.gz HSSILQXVUQTWKH-OAHLLOKOSA-N 1 1 348.451 0.729 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001088237387 747837247 /nfs/dbraw/zinc/83/72/47/747837247.db2.gz SGZLSNSGPCMVAC-HNNXBMFYSA-N 1 1 348.451 0.729 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CCOC2)C1 ZINC001002826072 747838907 /nfs/dbraw/zinc/83/89/07/747838907.db2.gz JRZQXOWMQYCKEZ-ZBFHGGJFSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CCOC2)C1 ZINC001002826072 747838916 /nfs/dbraw/zinc/83/89/16/747838916.db2.gz JRZQXOWMQYCKEZ-ZBFHGGJFSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CCOCC2)C1 ZINC001002826679 747840621 /nfs/dbraw/zinc/84/06/21/747840621.db2.gz PTHGKKDKMIILHZ-INIZCTEOSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CCOCC2)C1 ZINC001002826679 747840627 /nfs/dbraw/zinc/84/06/27/747840627.db2.gz PTHGKKDKMIILHZ-INIZCTEOSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(OC)o2)C1 ZINC001002827588 747841826 /nfs/dbraw/zinc/84/18/26/747841826.db2.gz WUQPXRNGABKXPV-AWEZNQCLSA-N 1 1 345.399 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(OC)o2)C1 ZINC001002827588 747841828 /nfs/dbraw/zinc/84/18/28/747841828.db2.gz WUQPXRNGABKXPV-AWEZNQCLSA-N 1 1 345.399 0.574 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001088237578 747845223 /nfs/dbraw/zinc/84/52/23/747845223.db2.gz XXDNPNICYHZWKQ-OAHLLOKOSA-N 1 1 333.432 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C)nc2)C1 ZINC001002829335 747845239 /nfs/dbraw/zinc/84/52/39/747845239.db2.gz KIYDRHOZWNGGIK-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C)nc2)C1 ZINC001002829335 747845246 /nfs/dbraw/zinc/84/52/46/747845246.db2.gz KIYDRHOZWNGGIK-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](OC)C2CC2)C1 ZINC001002829775 747845861 /nfs/dbraw/zinc/84/58/61/747845861.db2.gz OKOLNOGPKTUBCY-JKSUJKDBSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](OC)C2CC2)C1 ZINC001002829775 747845863 /nfs/dbraw/zinc/84/58/63/747845863.db2.gz OKOLNOGPKTUBCY-JKSUJKDBSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cccnc2)C1 ZINC001002830436 747848155 /nfs/dbraw/zinc/84/81/55/747848155.db2.gz RSYOPNCUGNIATL-INIZCTEOSA-N 1 1 326.400 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cccnc2)C1 ZINC001002830436 747848164 /nfs/dbraw/zinc/84/81/64/747848164.db2.gz RSYOPNCUGNIATL-INIZCTEOSA-N 1 1 326.400 0.367 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC000988498694 752217602 /nfs/dbraw/zinc/21/76/02/752217602.db2.gz FFETYLDGTKXMAB-YPMHNXCESA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC001002834524 747854922 /nfs/dbraw/zinc/85/49/22/747854922.db2.gz FRFASZLHADRDGJ-JSGCOSHPSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC001002834524 747854932 /nfs/dbraw/zinc/85/49/32/747854932.db2.gz FRFASZLHADRDGJ-JSGCOSHPSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001002834536 747855213 /nfs/dbraw/zinc/85/52/13/747855213.db2.gz FTFFTITYMMKFHN-KBPBESRZSA-N 1 1 339.386 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001002834536 747855223 /nfs/dbraw/zinc/85/52/23/747855223.db2.gz FTFFTITYMMKFHN-KBPBESRZSA-N 1 1 339.386 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1cnon1 ZINC001002870627 747902333 /nfs/dbraw/zinc/90/23/33/747902333.db2.gz FDMMVHNVGCIQKT-HIFRSBDPSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1cnon1 ZINC001002870627 747902337 /nfs/dbraw/zinc/90/23/37/747902337.db2.gz FDMMVHNVGCIQKT-HIFRSBDPSA-N 1 1 345.403 0.230 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001029641272 747959334 /nfs/dbraw/zinc/95/93/34/747959334.db2.gz FUCIWPWBTICAKF-GFCCVEGCSA-N 1 1 345.432 0.587 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cccc(=O)[nH]2)C1=O ZINC001027811119 747969924 /nfs/dbraw/zinc/96/99/24/747969924.db2.gz AXTSMKHCZUKTLS-UKRRQHHQSA-N 1 1 344.415 0.768 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001007258375 752230040 /nfs/dbraw/zinc/23/00/40/752230040.db2.gz IXHSENMIQIYIIZ-HUUCEWRRSA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001007258375 752230044 /nfs/dbraw/zinc/23/00/44/752230044.db2.gz IXHSENMIQIYIIZ-HUUCEWRRSA-N 1 1 328.372 0.747 20 30 ECEDMO N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CCN1C1CC1 ZINC000925148618 747993226 /nfs/dbraw/zinc/99/32/26/747993226.db2.gz KDMZTBKWPHVKKN-BZUAXINKSA-N 1 1 349.504 0.948 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)c3ccnn3C)C2)C1=O ZINC001029672022 748024522 /nfs/dbraw/zinc/02/45/22/748024522.db2.gz XNOBJRGVEZLSRW-CABCVRRESA-N 1 1 345.447 0.601 20 30 ECEDMO Cn1ncc(C[N@H+](C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001029689995 748076295 /nfs/dbraw/zinc/07/62/95/748076295.db2.gz CXXBPPVNXSDTIS-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001029689995 748076307 /nfs/dbraw/zinc/07/63/07/748076307.db2.gz CXXBPPVNXSDTIS-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1 ZINC001003035568 748100591 /nfs/dbraw/zinc/10/05/91/748100591.db2.gz DVDDQHTXRNNPTK-QGZVFWFLSA-N 1 1 340.427 0.735 20 30 ECEDMO CN(C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001027822046 748116920 /nfs/dbraw/zinc/11/69/20/748116920.db2.gz WTYHHPDHRQUZPW-AWEZNQCLSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001027822046 748116926 /nfs/dbraw/zinc/11/69/26/748116926.db2.gz WTYHHPDHRQUZPW-AWEZNQCLSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(CCOC)nn3)C[C@@H]2C1 ZINC000979666026 748188554 /nfs/dbraw/zinc/18/85/54/748188554.db2.gz ABNAQOKOSRDHQD-RRFJBIMHSA-N 1 1 331.420 0.388 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001027825512 748197417 /nfs/dbraw/zinc/19/74/17/748197417.db2.gz BMRJFCWHQBFJPQ-ZFWWWQNUSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001027825512 748197420 /nfs/dbraw/zinc/19/74/20/748197420.db2.gz BMRJFCWHQBFJPQ-ZFWWWQNUSA-N 1 1 331.420 0.401 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nnn(C(C)(C)C)n3)C[C@@H]2C1 ZINC000979724328 748290837 /nfs/dbraw/zinc/29/08/37/748290837.db2.gz DPQBJXDAIZBNFL-BFHYXJOUSA-N 1 1 330.436 0.892 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C[C@@H]2C1 ZINC000979740518 748322324 /nfs/dbraw/zinc/32/23/24/748322324.db2.gz FNTFUDYGPQFESV-GUTXKFCHSA-N 1 1 326.462 0.824 20 30 ECEDMO Cn1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1=O ZINC001027834335 748337800 /nfs/dbraw/zinc/33/78/00/748337800.db2.gz YBSNRDGBIGJBBE-HNNXBMFYSA-N 1 1 339.399 0.979 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000979781965 748383475 /nfs/dbraw/zinc/38/34/75/748383475.db2.gz CNUOGNKSHZATAV-MGPQQGTHSA-N 1 1 346.435 0.040 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C[C@H]2CCNC(=O)CC2)c[nH]1 ZINC001027836586 748390896 /nfs/dbraw/zinc/39/08/96/748390896.db2.gz VWPCVUHRUXULCO-CZUORRHYSA-N 1 1 343.431 0.997 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000979772218 748397006 /nfs/dbraw/zinc/39/70/06/748397006.db2.gz JSEVDCZGQJCDMF-ZOBUZTSGSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001087427025 748420638 /nfs/dbraw/zinc/42/06/38/748420638.db2.gz IRSAJGNAHAJSDD-OAGGEKHMSA-N 1 1 327.384 0.702 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001087427025 748420639 /nfs/dbraw/zinc/42/06/39/748420639.db2.gz IRSAJGNAHAJSDD-OAGGEKHMSA-N 1 1 327.384 0.702 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)[C@@H]2C1 ZINC001075857931 748422694 /nfs/dbraw/zinc/42/26/94/748422694.db2.gz MQZKBDCHPXHUAO-LSDHHAIUSA-N 1 1 346.431 0.046 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000985551234 748468159 /nfs/dbraw/zinc/46/81/59/748468159.db2.gz UCAJHYYEJFHFIE-UHFFFAOYSA-N 1 1 325.376 0.227 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000979854746 748557470 /nfs/dbraw/zinc/55/74/70/748557470.db2.gz YGQNCUBMITUSQN-MTSZKFMLSA-N 1 1 349.475 0.930 20 30 ECEDMO Cn1nnnc1C[NH2+][C@H]1CCCCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001088298954 748562465 /nfs/dbraw/zinc/56/24/65/748562465.db2.gz AGISTWQXTLGKAR-ZDUSSCGKSA-N 1 1 342.407 0.584 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC001003468842 748586657 /nfs/dbraw/zinc/58/66/57/748586657.db2.gz WKXQLQUNTTYDLM-HNNXBMFYSA-N 1 1 326.400 0.203 20 30 ECEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001029820384 748595540 /nfs/dbraw/zinc/59/55/40/748595540.db2.gz CQQMLLBREFEIRC-AWEZNQCLSA-N 1 1 330.388 0.355 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3n[nH]cc3F)C2)C1=O ZINC001029831225 748655097 /nfs/dbraw/zinc/65/50/97/748655097.db2.gz SKZRPOQLCKMPNU-OCCSQVGLSA-N 1 1 349.410 0.730 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001003609645 748725774 /nfs/dbraw/zinc/72/57/74/748725774.db2.gz KEKBAJCFUWBLMU-IKGGRYGDSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001003609645 748725778 /nfs/dbraw/zinc/72/57/78/748725778.db2.gz KEKBAJCFUWBLMU-IKGGRYGDSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000979966536 748736891 /nfs/dbraw/zinc/73/68/91/748736891.db2.gz ACOOMGFVXHYIQD-VQHPVUNQSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000979966536 748736896 /nfs/dbraw/zinc/73/68/96/748736896.db2.gz ACOOMGFVXHYIQD-VQHPVUNQSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnco2)C1 ZINC000979968497 748761870 /nfs/dbraw/zinc/76/18/70/748761870.db2.gz RGUPKYZFCGKKPA-IHRRRGAJSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnco2)C1 ZINC000979968497 748761874 /nfs/dbraw/zinc/76/18/74/748761874.db2.gz RGUPKYZFCGKKPA-IHRRRGAJSA-N 1 1 330.388 0.397 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC000979982156 748775853 /nfs/dbraw/zinc/77/58/53/748775853.db2.gz RDKDTZHBGXJKBH-ULQDDVLXSA-N 1 1 348.491 0.553 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCOC1 ZINC001003677747 748786651 /nfs/dbraw/zinc/78/66/51/748786651.db2.gz ZYKSEXZLEJDKTG-MTSZKFMLSA-N 1 1 345.443 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCOC1 ZINC001003677747 748786656 /nfs/dbraw/zinc/78/66/56/748786656.db2.gz ZYKSEXZLEJDKTG-MTSZKFMLSA-N 1 1 345.443 0.369 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058816144 748808003 /nfs/dbraw/zinc/80/80/03/748808003.db2.gz KPGVMRSXZWVZRW-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001003780566 748885989 /nfs/dbraw/zinc/88/59/89/748885989.db2.gz SCLRBEANUYDLLX-GFCCVEGCSA-N 1 1 335.857 0.353 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC([N@@H+](C)[C@@H]3CCNC3=O)CC2)nn1 ZINC000985699982 748890509 /nfs/dbraw/zinc/89/05/09/748890509.db2.gz NRKWXQNSBREOFR-OAHLLOKOSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817930 748908209 /nfs/dbraw/zinc/90/82/09/748908209.db2.gz XBOLCCPSWOLXHB-GJZGRUSLSA-N 1 1 327.469 0.724 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)CC3OCCCO3)[C@@H](O)C2)c1 ZINC001083425899 748908389 /nfs/dbraw/zinc/90/83/89/748908389.db2.gz KMDAYJPQUUDEOP-CVEARBPZSA-N 1 1 345.399 0.373 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)CC3OCCCO3)[C@@H](O)C2)c1 ZINC001083425899 748908398 /nfs/dbraw/zinc/90/83/98/748908398.db2.gz KMDAYJPQUUDEOP-CVEARBPZSA-N 1 1 345.399 0.373 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccnc(C)c2)C1 ZINC001003807591 748920595 /nfs/dbraw/zinc/92/05/95/748920595.db2.gz VILBEWUMLQCLFJ-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccnc(C)c2)C1 ZINC001003807591 748920599 /nfs/dbraw/zinc/92/05/99/748920599.db2.gz VILBEWUMLQCLFJ-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nn(C)cc2C)C1=O ZINC001027878759 748972171 /nfs/dbraw/zinc/97/21/71/748972171.db2.gz HYNYSBWYCKRDCU-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nn(C)cc2C)C1=O ZINC001027878759 748972177 /nfs/dbraw/zinc/97/21/77/748972177.db2.gz HYNYSBWYCKRDCU-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(N)=O)cn3C)C[C@@H]2C1 ZINC000980139675 749050502 /nfs/dbraw/zinc/05/05/02/749050502.db2.gz JUUIEATWOKNKPZ-LZWOXQAQSA-N 1 1 342.443 0.978 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(N)=O)cn3C)C[C@H]2C1 ZINC000980143970 749060351 /nfs/dbraw/zinc/06/03/51/749060351.db2.gz QVPWAIKABMRVLI-KCQAQPDRSA-N 1 1 328.416 0.588 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001003936817 749062092 /nfs/dbraw/zinc/06/20/92/749062092.db2.gz OMXMKQOEDRTXTH-ZDUSSCGKSA-N 1 1 346.431 0.975 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)c1 ZINC000980145699 749063433 /nfs/dbraw/zinc/06/34/33/749063433.db2.gz JAZHCMAIXJSGBV-VNQPRFMTSA-N 1 1 326.400 0.379 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 ZINC000980181582 749117339 /nfs/dbraw/zinc/11/73/39/749117339.db2.gz FHJNQPQNVINYHU-NWANDNLSSA-N 1 1 333.432 0.832 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1ncc(C#N)cc1F ZINC001126255600 749151982 /nfs/dbraw/zinc/15/19/82/749151982.db2.gz ZCBPLMCGDRCVCV-OAHLLOKOSA-N 1 1 349.410 0.756 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)/C=C\C3CC3)CC2)CC1 ZINC000985830108 749194087 /nfs/dbraw/zinc/19/40/87/749194087.db2.gz XUHGEFFKEYTGQO-SREVYHEPSA-N 1 1 344.459 0.858 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)ccc3=O)C[C@@H]2C1 ZINC000980214839 749208654 /nfs/dbraw/zinc/20/86/54/749208654.db2.gz NQVDJYIUNBHQCV-GVDBMIGSSA-N 1 1 342.443 0.792 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccncn3)C2)C1=O ZINC001029869513 749217947 /nfs/dbraw/zinc/21/79/47/749217947.db2.gz KSZHQPTZPVQYGH-GDBMZVCRSA-N 1 1 343.431 0.657 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ncccn3)C2)C1=O ZINC001029872876 749248505 /nfs/dbraw/zinc/24/85/05/749248505.db2.gz WNWDTFBJJRYQSI-GJZGRUSLSA-N 1 1 343.431 0.657 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C[C@H]2C1 ZINC000980251823 749257390 /nfs/dbraw/zinc/25/73/90/749257390.db2.gz GPWXWRDSPDAARH-MELADBBJSA-N 1 1 346.435 0.170 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3[nH]cnc3C)C2)C1=O ZINC000980268407 749278882 /nfs/dbraw/zinc/27/88/82/749278882.db2.gz GRZGUTIVVRHNAQ-GOEBONIOSA-N 1 1 345.447 0.580 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC001004198883 749305435 /nfs/dbraw/zinc/30/54/35/749305435.db2.gz KKMSJMDURYBUQS-AWEZNQCLSA-N 1 1 340.427 0.735 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CCNC(=O)CSCC#N)C1 ZINC001059680078 749411141 /nfs/dbraw/zinc/41/11/41/749411141.db2.gz XMWYBUFKCAKRAR-CQSZACIVSA-N 1 1 349.460 0.803 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c(C)nc(=O)[nH]c3C)[C@@H]2C1 ZINC001075880250 749415196 /nfs/dbraw/zinc/41/51/96/749415196.db2.gz QFJKURCXTNPGPB-GOEBONIOSA-N 1 1 328.416 0.898 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cn(C)nn3)C2)cn1 ZINC001029891384 749462824 /nfs/dbraw/zinc/46/28/24/749462824.db2.gz FNQBQLKBSCUWPP-CQSZACIVSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cn(C)nn3)C2)cn1 ZINC001029891384 749462828 /nfs/dbraw/zinc/46/28/28/749462828.db2.gz FNQBQLKBSCUWPP-CQSZACIVSA-N 1 1 338.415 0.786 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@H+]2CCS(C)(=O)=O)CC1 ZINC001004400468 749466635 /nfs/dbraw/zinc/46/66/35/749466635.db2.gz ZUAJPMFOGUEQRB-ZFWWWQNUSA-N 1 1 341.477 0.894 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CN=NC2=O)CC1 ZINC001004410317 749473902 /nfs/dbraw/zinc/47/39/02/749473902.db2.gz YXHNJVXPWIYFNZ-OAHLLOKOSA-N 1 1 331.420 0.710 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088461753 749476253 /nfs/dbraw/zinc/47/62/53/749476253.db2.gz SPHVLYGXVRILDP-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088461753 749476254 /nfs/dbraw/zinc/47/62/54/749476254.db2.gz SPHVLYGXVRILDP-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)c3)[C@H]2C)C1=O ZINC001088463685 749497002 /nfs/dbraw/zinc/49/70/02/749497002.db2.gz KFDLRTWPNGHNFG-SNPRPXQTSA-N 1 1 331.420 0.400 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)c3)[C@H]2C)C1=O ZINC001088463685 749497004 /nfs/dbraw/zinc/49/70/04/749497004.db2.gz KFDLRTWPNGHNFG-SNPRPXQTSA-N 1 1 331.420 0.400 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001004441007 749500045 /nfs/dbraw/zinc/50/00/45/749500045.db2.gz AGSIETNIZCBAHD-SMDDNHRTSA-N 1 1 329.404 0.272 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC001004446353 749508641 /nfs/dbraw/zinc/50/86/41/749508641.db2.gz KMWAQQSCZLPEFI-GDBMZVCRSA-N 1 1 345.443 0.860 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 ZINC001004456744 749523852 /nfs/dbraw/zinc/52/38/52/749523852.db2.gz HMSGOHOTFDXLBN-INIZCTEOSA-N 1 1 328.416 0.730 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001004460235 749527374 /nfs/dbraw/zinc/52/73/74/749527374.db2.gz YLWKZDMHBSJMJO-QGZVFWFLSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccnc(C)n3)C2)C1=O ZINC000980425681 749552340 /nfs/dbraw/zinc/55/23/40/749552340.db2.gz DNHKZJRCHONTPR-ZBFHGGJFSA-N 1 1 343.431 0.718 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(CC)n[nH]3)[C@H]2C)C1=O ZINC001088476149 749575617 /nfs/dbraw/zinc/57/56/17/749575617.db2.gz BNJHSXFNNSPLCQ-IVMMDQJWSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(CC)n[nH]3)[C@H]2C)C1=O ZINC001088476149 749575620 /nfs/dbraw/zinc/57/56/20/749575620.db2.gz BNJHSXFNNSPLCQ-IVMMDQJWSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3ccc[nH]3)C2)C1=O ZINC000980453502 749585738 /nfs/dbraw/zinc/58/57/38/749585738.db2.gz BBKFCNCMVQBMNB-CVEARBPZSA-N 1 1 330.432 0.877 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001004521129 749591352 /nfs/dbraw/zinc/59/13/52/749591352.db2.gz JRZQGMJVKPZITB-BMFZPTHFSA-N 1 1 335.448 0.494 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)nn1 ZINC000986171498 749628702 /nfs/dbraw/zinc/62/87/02/749628702.db2.gz ZPMAKNYNHMPSTH-BXUZGUMPSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@H]3CCOC3)C2)CC1 ZINC000980479888 749642000 /nfs/dbraw/zinc/64/20/00/749642000.db2.gz YYGYQSNVDCMOHJ-AEFFLSMTSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([N@@H+](C)C[C@H]3CCOC3)C2)CC1 ZINC000980479888 749642004 /nfs/dbraw/zinc/64/20/04/749642004.db2.gz YYGYQSNVDCMOHJ-AEFFLSMTSA-N 1 1 333.476 0.901 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000986184191 749650816 /nfs/dbraw/zinc/65/08/16/749650816.db2.gz LTDDHOOFGUOERB-WCQYABFASA-N 1 1 342.407 0.847 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC001027942335 749665141 /nfs/dbraw/zinc/66/51/41/749665141.db2.gz CBQDKICKCKIUIW-SJORKVTESA-N 1 1 329.448 0.598 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC001027942335 749665142 /nfs/dbraw/zinc/66/51/42/749665142.db2.gz CBQDKICKCKIUIW-SJORKVTESA-N 1 1 329.448 0.598 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001004610146 749683030 /nfs/dbraw/zinc/68/30/30/749683030.db2.gz NWSUJTVCFUFDMR-CABCVRRESA-N 1 1 348.447 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC001004615293 749690180 /nfs/dbraw/zinc/69/01/80/749690180.db2.gz FOWBKDVTOZGHFW-HOTGVXAUSA-N 1 1 338.473 0.900 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001004622630 749700174 /nfs/dbraw/zinc/70/01/74/749700174.db2.gz OITRXBDCRPXCOH-OAHLLOKOSA-N 1 1 346.431 0.989 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004638339 749718249 /nfs/dbraw/zinc/71/82/49/749718249.db2.gz ZVVMJIVYNLLRIH-LSDHHAIUSA-N 1 1 331.416 0.375 20 30 ECEDMO CC[NH+]=C(NCCN1CCSCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000262791160 749774128 /nfs/dbraw/zinc/77/41/28/749774128.db2.gz NZLUICPEIPZSJF-INIZCTEOSA-N 1 1 337.537 0.947 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)no1 ZINC000980575396 749802622 /nfs/dbraw/zinc/80/26/22/749802622.db2.gz OFVYHYWLOIJUIV-DZGCQCFKSA-N 1 1 346.431 0.999 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058846584 750114475 /nfs/dbraw/zinc/11/44/75/750114475.db2.gz AEMAFZHUARVBIS-QAPCUYQASA-N 1 1 339.480 0.868 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058848842 750164349 /nfs/dbraw/zinc/16/43/49/750164349.db2.gz LEPFFJDIGZJUKF-HUUCEWRRSA-N 1 1 325.453 0.478 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001058849069 750168366 /nfs/dbraw/zinc/16/83/66/750168366.db2.gz NYVNRMRGDCJEPW-HOTGVXAUSA-N 1 1 337.464 0.315 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 ZINC000986602241 750179010 /nfs/dbraw/zinc/17/90/10/750179010.db2.gz YFVRWQRZJNBJAA-YUELXQCFSA-N 1 1 329.404 0.658 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001098635953 750202928 /nfs/dbraw/zinc/20/29/28/750202928.db2.gz ANYMHBAMAGLASZ-ZIAGYGMSSA-N 1 1 330.436 0.951 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001028009448 750346083 /nfs/dbraw/zinc/34/60/83/750346083.db2.gz KZTAYHPTBIKQSM-LBPRGKRZSA-N 1 1 330.413 0.974 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001028008831 750355719 /nfs/dbraw/zinc/35/57/19/750355719.db2.gz DLTUEZJZXKVWDM-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001028073814 750499062 /nfs/dbraw/zinc/49/90/62/750499062.db2.gz YLTBHKLVCUBCSM-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001028073814 750499065 /nfs/dbraw/zinc/49/90/65/750499065.db2.gz YLTBHKLVCUBCSM-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)NC1=O ZINC001028075731 750519346 /nfs/dbraw/zinc/51/93/46/750519346.db2.gz BRRNWOWDBOMZDJ-HZPDHXFCSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001028076415 750543473 /nfs/dbraw/zinc/54/34/73/750543473.db2.gz NWCKHCXNBHDSIR-BXUZGUMPSA-N 1 1 347.444 0.724 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001028076415 750543474 /nfs/dbraw/zinc/54/34/74/750543474.db2.gz NWCKHCXNBHDSIR-BXUZGUMPSA-N 1 1 347.444 0.724 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088550054 750638076 /nfs/dbraw/zinc/63/80/76/750638076.db2.gz NEVLILYSUMZLDI-KBMXLJTQSA-N 1 1 327.384 0.726 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088550054 750638079 /nfs/dbraw/zinc/63/80/79/750638079.db2.gz NEVLILYSUMZLDI-KBMXLJTQSA-N 1 1 327.384 0.726 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cscn2)C1 ZINC001005800765 750650593 /nfs/dbraw/zinc/65/05/93/750650593.db2.gz INUAIWHPYWSPCZ-DOMZBBRYSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cscn2)C1 ZINC001005800765 750650600 /nfs/dbraw/zinc/65/06/00/750650600.db2.gz INUAIWHPYWSPCZ-DOMZBBRYSA-N 1 1 346.456 0.817 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001005803756 750655606 /nfs/dbraw/zinc/65/56/06/750655606.db2.gz KWQRZEHEMWSUTN-NHYWBVRUSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000981474816 750730233 /nfs/dbraw/zinc/73/02/33/750730233.db2.gz YJOBCRVEPWRWEC-UHFFFAOYSA-N 1 1 327.406 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cc[nH]c2C)C1 ZINC001005885601 750760627 /nfs/dbraw/zinc/76/06/27/750760627.db2.gz KKKAFGSJURNFGU-GUYCJALGSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cc[nH]c2C)C1 ZINC001005885601 750760633 /nfs/dbraw/zinc/76/06/33/750760633.db2.gz KKKAFGSJURNFGU-GUYCJALGSA-N 1 1 342.443 0.997 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001005947528 750833051 /nfs/dbraw/zinc/83/30/51/750833051.db2.gz QWYVSYUTYUMUKO-LBPRGKRZSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)c4ccon4)C3)C2)C1=O ZINC000981645731 750929576 /nfs/dbraw/zinc/92/95/76/750929576.db2.gz JCWDDFFOSFROAJ-OAHLLOKOSA-N 1 1 344.415 1.000 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)[C@H]4CCOC4)C3)C2)C1=O ZINC000981659240 750940152 /nfs/dbraw/zinc/94/01/52/750940152.db2.gz DBFHJHHGXFOTCM-HOTGVXAUSA-N 1 1 347.459 0.734 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CN(C(=O)CC(N)=O)C3)C2)cc1 ZINC000981679349 750963908 /nfs/dbraw/zinc/96/39/08/750963908.db2.gz OTPHGYRRJUXOPF-UHFFFAOYSA-N 1 1 326.400 0.858 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000981722560 751003167 /nfs/dbraw/zinc/00/31/67/751003167.db2.gz ZZHVHYSLVFWNKY-CQSZACIVSA-N 1 1 329.404 0.688 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000981722062 751013796 /nfs/dbraw/zinc/01/37/96/751013796.db2.gz JMNJQBAXFCLBCT-ZDUSSCGKSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000981784223 751096571 /nfs/dbraw/zinc/09/65/71/751096571.db2.gz JTHNKBVBCSPQJK-UHFFFAOYSA-N 1 1 330.436 0.989 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001098514363 751183723 /nfs/dbraw/zinc/18/37/23/751183723.db2.gz RFJCTTUQEHKBOB-UHFFFAOYSA-N 1 1 334.420 0.589 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001028139850 751190825 /nfs/dbraw/zinc/19/08/25/751190825.db2.gz DGQPSEYKZJPADO-BBWFWOEESA-N 1 1 343.402 0.879 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001028139850 751190827 /nfs/dbraw/zinc/19/08/27/751190827.db2.gz DGQPSEYKZJPADO-BBWFWOEESA-N 1 1 343.402 0.879 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000981853530 751201705 /nfs/dbraw/zinc/20/17/05/751201705.db2.gz OTZMIOASKOLOAS-CQSZACIVSA-N 1 1 343.431 0.494 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001028146448 751225849 /nfs/dbraw/zinc/22/58/49/751225849.db2.gz GSKNXSTWBHEKOZ-ZNMIVQPWSA-N 1 1 336.436 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2nonc2C)C1 ZINC001006315534 751236509 /nfs/dbraw/zinc/23/65/09/751236509.db2.gz PDFBRQOKMUWYMC-RISCZKNCSA-N 1 1 345.403 0.052 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2nonc2C)C1 ZINC001006315534 751236512 /nfs/dbraw/zinc/23/65/12/751236512.db2.gz PDFBRQOKMUWYMC-RISCZKNCSA-N 1 1 345.403 0.052 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2cnc[nH]2)C1 ZINC001006317461 751239585 /nfs/dbraw/zinc/23/95/85/751239585.db2.gz ZUMRVVIMDZUJOE-BBRMVZONSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2cnc[nH]2)C1 ZINC001006317461 751239589 /nfs/dbraw/zinc/23/95/89/751239589.db2.gz ZUMRVVIMDZUJOE-BBRMVZONSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cnns2)C1 ZINC001006319586 751241545 /nfs/dbraw/zinc/24/15/45/751241545.db2.gz MHSBSISESHNFAS-YPMHNXCESA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cnns2)C1 ZINC001006319586 751241548 /nfs/dbraw/zinc/24/15/48/751241548.db2.gz MHSBSISESHNFAS-YPMHNXCESA-N 1 1 347.444 0.212 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3nnc[nH]3)C2)c(F)c1 ZINC001020904056 752315881 /nfs/dbraw/zinc/31/58/81/752315881.db2.gz KNELWXMZDNJEAL-JOCQHMNTSA-N 1 1 328.351 0.795 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)Oc3ccccn3)C2)nn1 ZINC001105362848 752316935 /nfs/dbraw/zinc/31/69/35/752316935.db2.gz LXLMDOROJGPROY-CYBMUJFWSA-N 1 1 342.403 0.800 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccc(=O)[nH]c2)C1=O ZINC001028299888 752321729 /nfs/dbraw/zinc/32/17/29/752321729.db2.gz LZAZFZGGBVJDAQ-HUUCEWRRSA-N 1 1 344.415 0.768 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)cn1 ZINC001020947861 752374331 /nfs/dbraw/zinc/37/43/31/752374331.db2.gz JNFQJKOWBLBDKP-BPNCWPANSA-N 1 1 325.376 0.198 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988619562 752386332 /nfs/dbraw/zinc/38/63/32/752386332.db2.gz GBVAXNSCIGIJTM-FZMZJTMJSA-N 1 1 345.382 0.840 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988619573 752386800 /nfs/dbraw/zinc/38/68/00/752386800.db2.gz GBVAXNSCIGIJTM-SMDDNHRTSA-N 1 1 345.382 0.840 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001007487434 752439960 /nfs/dbraw/zinc/43/99/60/752439960.db2.gz IFLXSZPPTBOSGC-ZBFHGGJFSA-N 1 1 346.431 0.893 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001007487434 752439964 /nfs/dbraw/zinc/43/99/64/752439964.db2.gz IFLXSZPPTBOSGC-ZBFHGGJFSA-N 1 1 346.431 0.893 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001059910874 752446164 /nfs/dbraw/zinc/44/61/64/752446164.db2.gz ABZJWGWJIXGKGH-RHSMWYFYSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001059910874 752446168 /nfs/dbraw/zinc/44/61/68/752446168.db2.gz ABZJWGWJIXGKGH-RHSMWYFYSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)nn1 ZINC001105366574 752464253 /nfs/dbraw/zinc/46/42/53/752464253.db2.gz XQTNUUMGKURZHQ-ZDUSSCGKSA-N 1 1 346.435 0.386 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3Cc4cccnc4C3)C2)nn1 ZINC001105368063 752466971 /nfs/dbraw/zinc/46/69/71/752466971.db2.gz OJNKHIYJACMMMB-AWEZNQCLSA-N 1 1 338.415 0.747 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nnc(C)o2)C1 ZINC001007519326 752475365 /nfs/dbraw/zinc/47/53/65/752475365.db2.gz OLBHVBBSDOPALE-CABCVRRESA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nnc(C)o2)C1 ZINC001007519326 752475369 /nfs/dbraw/zinc/47/53/69/752475369.db2.gz OLBHVBBSDOPALE-CABCVRRESA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(C)n(C)n2)C1 ZINC001007519417 752475726 /nfs/dbraw/zinc/47/57/26/752475726.db2.gz RAMKCCHWKAUBQC-WMZOPIPTSA-N 1 1 343.475 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(C)n(C)n2)C1 ZINC001007519417 752475730 /nfs/dbraw/zinc/47/57/30/752475730.db2.gz RAMKCCHWKAUBQC-WMZOPIPTSA-N 1 1 343.475 0.907 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccccn3)C2)C1=O ZINC001028372582 752493520 /nfs/dbraw/zinc/49/35/20/752493520.db2.gz VSGKJSRMIILKGU-GDBMZVCRSA-N 1 1 328.416 0.920 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cnn(C)c3C)C2)C1=O ZINC001028408854 752568124 /nfs/dbraw/zinc/56/81/24/752568124.db2.gz LRPMGKPCSHUYBC-ZBFHGGJFSA-N 1 1 345.447 0.567 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3COCCO3)C2)c1 ZINC001028412418 752582874 /nfs/dbraw/zinc/58/28/74/752582874.db2.gz MDHDTYQQMFPXGI-DLBZAZTESA-N 1 1 329.400 0.912 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098644754 752610436 /nfs/dbraw/zinc/61/04/36/752610436.db2.gz DUEUIECZDUSBDY-HZPDHXFCSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644754 752610441 /nfs/dbraw/zinc/61/04/41/752610441.db2.gz DUEUIECZDUSBDY-HZPDHXFCSA-N 1 1 330.436 0.259 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cnns3)C2)C1=O ZINC001028424649 752611981 /nfs/dbraw/zinc/61/19/81/752611981.db2.gz SPYKJZCABMSVEC-NWDGAFQWSA-N 1 1 335.433 0.377 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001028429237 752635064 /nfs/dbraw/zinc/63/50/64/752635064.db2.gz JRWGBHVLKRUGDQ-DZGCQCFKSA-N 1 1 331.420 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)on2)[C@@H]1C ZINC000988738478 752640911 /nfs/dbraw/zinc/64/09/11/752640911.db2.gz ORZYEMQIXDBBHI-YCPHGPKFSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)on2)[C@@H]1C ZINC000988738478 752640916 /nfs/dbraw/zinc/64/09/16/752640916.db2.gz ORZYEMQIXDBBHI-YCPHGPKFSA-N 1 1 344.415 0.800 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001075919864 752652702 /nfs/dbraw/zinc/65/27/02/752652702.db2.gz FJIMPLHFQFLNBK-AWEZNQCLSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000938022271 752656727 /nfs/dbraw/zinc/65/67/27/752656727.db2.gz VOCIJRQOQOANII-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCC2)c1 ZINC001021221918 752671342 /nfs/dbraw/zinc/67/13/42/752671342.db2.gz NZNXZYXHTLKEHQ-GOOCMWNKSA-N 1 1 341.415 0.844 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001021236057 752690265 /nfs/dbraw/zinc/69/02/65/752690265.db2.gz SQYIVTSOZFMVNM-APHBMKBZSA-N 1 1 341.415 0.653 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000938036083 752704073 /nfs/dbraw/zinc/70/40/73/752704073.db2.gz GVRLAKSGCNIKPW-OSAQELSMSA-N 1 1 329.404 0.557 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001007654935 752719384 /nfs/dbraw/zinc/71/93/84/752719384.db2.gz PDBLDPQLFMTMDQ-QFBILLFUSA-N 1 1 345.443 0.181 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001007678410 752770640 /nfs/dbraw/zinc/77/06/40/752770640.db2.gz VVIKDACKLXNWEX-GUYCJALGSA-N 1 1 345.403 0.181 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cc1=O ZINC001028471473 752774053 /nfs/dbraw/zinc/77/40/53/752774053.db2.gz ZJIUOJIMOLYLSD-CQSZACIVSA-N 1 1 339.399 0.837 20 30 ECEDMO COCCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(C#N)nn1 ZINC001126372760 752796648 /nfs/dbraw/zinc/79/66/48/752796648.db2.gz IWURWVOSCPCQOR-CQSZACIVSA-N 1 1 346.435 0.259 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(=O)CC)C2)nn1 ZINC001098645822 752819090 /nfs/dbraw/zinc/81/90/90/752819090.db2.gz WNJOKQNDCMDTQZ-AWEZNQCLSA-N 1 1 334.424 0.243 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)[nH]1 ZINC001028487004 752832628 /nfs/dbraw/zinc/83/26/28/752832628.db2.gz OLNFEBPZAPOBMA-UKRRQHHQSA-N 1 1 342.403 0.196 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)c[nH]1 ZINC001028492116 752837455 /nfs/dbraw/zinc/83/74/55/752837455.db2.gz ZTUDJQNLYVDFSP-XJKSGUPXSA-N 1 1 342.403 0.196 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028492048 752837979 /nfs/dbraw/zinc/83/79/79/752837979.db2.gz WTZYMEZOLXCZKD-NWDGAFQWSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3nccn3CC)C2)C1=O ZINC001028510402 752992392 /nfs/dbraw/zinc/99/23/92/752992392.db2.gz ASFWHRYEPMYKJE-HUUCEWRRSA-N 1 1 345.447 0.742 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@]2(C)C1 ZINC000982600429 753025523 /nfs/dbraw/zinc/02/55/23/753025523.db2.gz YGWSOOAWPPOORM-DOPJRALCSA-N 1 1 348.447 0.721 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)cc1 ZINC001028520252 753049409 /nfs/dbraw/zinc/04/94/09/753049409.db2.gz ZIJZYHWQXIMRGS-CABCVRRESA-N 1 1 328.372 0.605 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001028548819 753110475 /nfs/dbraw/zinc/11/04/75/753110475.db2.gz HVSNASPGSQEOER-OAGGEKHMSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028549781 753112260 /nfs/dbraw/zinc/11/22/60/753112260.db2.gz XYGZTTQQXCLTMJ-MJBXVCDLSA-N 1 1 349.435 0.028 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028549781 753112264 /nfs/dbraw/zinc/11/22/64/753112264.db2.gz XYGZTTQQXCLTMJ-MJBXVCDLSA-N 1 1 349.435 0.028 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1 ZINC001008026773 753210962 /nfs/dbraw/zinc/21/09/62/753210962.db2.gz XJWUSZFORONIRX-HIFRSBDPSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001008065271 753262744 /nfs/dbraw/zinc/26/27/44/753262744.db2.gz ZMWCLUHDURCBQR-KBPBESRZSA-N 1 1 329.391 0.556 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001008143271 753371571 /nfs/dbraw/zinc/37/15/71/753371571.db2.gz BKPHMPITCBWDGT-CVEARBPZSA-N 1 1 339.395 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001008143271 753371573 /nfs/dbraw/zinc/37/15/73/753371573.db2.gz BKPHMPITCBWDGT-CVEARBPZSA-N 1 1 339.395 0.667 20 30 ECEDMO CCCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)s1 ZINC001051495473 762208963 /nfs/dbraw/zinc/20/89/63/762208963.db2.gz VDRGBFZFXXQFFQ-RYUDHWBXSA-N 1 1 337.449 0.967 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc3n2CCCCC3)C1 ZINC001051495776 762209522 /nfs/dbraw/zinc/20/95/22/762209522.db2.gz YAHNVJNJIVZVJJ-UONOGXRCSA-N 1 1 346.435 0.481 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1C1CC1 ZINC001051495753 762210057 /nfs/dbraw/zinc/21/00/57/762210057.db2.gz XRWCDNWGOLUUMT-FZMZJTMJSA-N 1 1 332.408 0.398 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1C1CC1 ZINC001051495755 762210070 /nfs/dbraw/zinc/21/00/70/762210070.db2.gz XRWCDNWGOLUUMT-SMDDNHRTSA-N 1 1 332.408 0.398 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001008174303 753419571 /nfs/dbraw/zinc/41/95/71/753419571.db2.gz BRHPNUVHVTYGOV-DLBZAZTESA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001008174303 753419573 /nfs/dbraw/zinc/41/95/73/753419573.db2.gz BRHPNUVHVTYGOV-DLBZAZTESA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001008177041 753425366 /nfs/dbraw/zinc/42/53/66/753425366.db2.gz PELZTFJZEIKBQC-JKSUJKDBSA-N 1 1 341.415 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nccn2C)[C@@H]1C ZINC001088631197 753442771 /nfs/dbraw/zinc/44/27/71/753442771.db2.gz YCQSWXFYYCILIX-PMPSAXMXSA-N 1 1 329.448 0.597 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nccn2C)[C@@H]1C ZINC001088631197 753442779 /nfs/dbraw/zinc/44/27/79/753442779.db2.gz YCQSWXFYYCILIX-PMPSAXMXSA-N 1 1 329.448 0.597 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000982738044 753446976 /nfs/dbraw/zinc/44/69/76/753446976.db2.gz BUOYTXMLIRWERL-IRXDYDNUSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001008191562 753449874 /nfs/dbraw/zinc/44/98/74/753449874.db2.gz UYQVGHJUFWUPTO-QWHCGFSZSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001008191562 753449878 /nfs/dbraw/zinc/44/98/78/753449878.db2.gz UYQVGHJUFWUPTO-QWHCGFSZSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001008229579 753486851 /nfs/dbraw/zinc/48/68/51/753486851.db2.gz LHRCMVILVYUVJL-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001008229579 753486854 /nfs/dbraw/zinc/48/68/54/753486854.db2.gz LHRCMVILVYUVJL-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@]2(C)C1 ZINC000982773813 753522342 /nfs/dbraw/zinc/52/23/42/753522342.db2.gz XKGJYPBAKSEUOS-HDICACEKSA-N 1 1 345.447 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCOC2)CC1(C)C ZINC001008278405 753541479 /nfs/dbraw/zinc/54/14/79/753541479.db2.gz QVZRYQKKMIENJG-OWCLPIDISA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCOC2)CC1(C)C ZINC001008278405 753541482 /nfs/dbraw/zinc/54/14/82/753541482.db2.gz QVZRYQKKMIENJG-OWCLPIDISA-N 1 1 347.459 0.474 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000982780393 753547836 /nfs/dbraw/zinc/54/78/36/753547836.db2.gz WIUQVIOBMRBKIE-OAGGEKHMSA-N 1 1 346.431 0.747 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098680566 753573121 /nfs/dbraw/zinc/57/31/21/753573121.db2.gz HJEUPKOLACXTBA-DLBZAZTESA-N 1 1 344.463 0.505 20 30 ECEDMO C#CCC1(C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)CCC1 ZINC001098681069 753609856 /nfs/dbraw/zinc/60/98/56/753609856.db2.gz NXHYNSMBNGDMQT-HNNXBMFYSA-N 1 1 331.420 0.327 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)cc1 ZINC001083378344 753735500 /nfs/dbraw/zinc/73/55/00/753735500.db2.gz LZJONDQVYDAHKX-CVEARBPZSA-N 1 1 326.356 0.450 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)cc1 ZINC001083378344 753735506 /nfs/dbraw/zinc/73/55/06/753735506.db2.gz LZJONDQVYDAHKX-CVEARBPZSA-N 1 1 326.356 0.450 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ccncc2C#N)C1 ZINC001105531950 753800799 /nfs/dbraw/zinc/80/07/99/753800799.db2.gz ONFALHSLXACNCP-KRWDZBQOSA-N 1 1 345.447 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000982812508 753829150 /nfs/dbraw/zinc/82/91/50/753829150.db2.gz MRYMSQUJQCROAC-GJZGRUSLSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000982812508 753829156 /nfs/dbraw/zinc/82/91/56/753829156.db2.gz MRYMSQUJQCROAC-GJZGRUSLSA-N 1 1 343.431 0.394 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2nn(C)c3ccccc23)[C@@H](O)C1 ZINC001083463343 753872147 /nfs/dbraw/zinc/87/21/47/753872147.db2.gz FCZCCPWSAOWZFQ-WBVHZDCISA-N 1 1 326.400 0.300 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2nn(C)c3ccccc23)[C@@H](O)C1 ZINC001083463343 753872156 /nfs/dbraw/zinc/87/21/56/753872156.db2.gz FCZCCPWSAOWZFQ-WBVHZDCISA-N 1 1 326.400 0.300 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nonc2C)C1 ZINC001028600787 753875164 /nfs/dbraw/zinc/87/51/64/753875164.db2.gz DBNOAQXSQNUHJP-HOCLYGCPSA-N 1 1 331.420 0.414 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nonc2C)C1 ZINC001028600787 753875170 /nfs/dbraw/zinc/87/51/70/753875170.db2.gz DBNOAQXSQNUHJP-HOCLYGCPSA-N 1 1 331.420 0.414 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001028617791 753947611 /nfs/dbraw/zinc/94/76/11/753947611.db2.gz KRJMOFDSHVRAJZ-JSGCOSHPSA-N 1 1 345.403 0.021 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001075942954 753963000 /nfs/dbraw/zinc/96/30/00/753963000.db2.gz WSVRCXFAQSGMSR-JKSUJKDBSA-N 1 1 349.475 0.912 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001008735435 754055975 /nfs/dbraw/zinc/05/59/75/754055975.db2.gz FVWLZTKGLNJHGU-CQSZACIVSA-N 1 1 344.419 0.438 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCCN(C)C3=O)CC2)nc1 ZINC000989512466 754063200 /nfs/dbraw/zinc/06/32/00/754063200.db2.gz LCKIDIGCFHOODV-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCCN(C)C3=O)CC2)nc1 ZINC000989512466 754063206 /nfs/dbraw/zinc/06/32/06/754063206.db2.gz LCKIDIGCFHOODV-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+](CCN3CCCC3=O)CC2)cn1 ZINC000989512329 754063436 /nfs/dbraw/zinc/06/34/36/754063436.db2.gz FPIFXEVMEKZGGS-UHFFFAOYSA-N 1 1 340.427 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+](CCN3CCCC3=O)CC2)cn1 ZINC000989512329 754063441 /nfs/dbraw/zinc/06/34/41/754063441.db2.gz FPIFXEVMEKZGGS-UHFFFAOYSA-N 1 1 340.427 0.833 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001075944130 754073836 /nfs/dbraw/zinc/07/38/36/754073836.db2.gz PJIHNVGQAJRHLS-ZFWWWQNUSA-N 1 1 348.451 0.573 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001105866893 762275378 /nfs/dbraw/zinc/27/53/78/762275378.db2.gz MFYJENHFYKLPKA-GFCCVEGCSA-N 1 1 332.339 0.187 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1=O ZINC000989599484 754180588 /nfs/dbraw/zinc/18/05/88/754180588.db2.gz OXFZEEWQYGDTBG-OAHLLOKOSA-N 1 1 344.415 0.722 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1=O ZINC000989599484 754180594 /nfs/dbraw/zinc/18/05/94/754180594.db2.gz OXFZEEWQYGDTBG-OAHLLOKOSA-N 1 1 344.415 0.722 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cnccn2)C1 ZINC000982923483 754210273 /nfs/dbraw/zinc/21/02/73/754210273.db2.gz PLHSXVONDDSKSO-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cnccn2)C1 ZINC000982923483 754210277 /nfs/dbraw/zinc/21/02/77/754210277.db2.gz PLHSXVONDDSKSO-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001008957884 754358790 /nfs/dbraw/zinc/35/87/90/754358790.db2.gz DRPVKVCHXDBPNX-LVQVYYBASA-N 1 1 341.415 0.415 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028659552 754381661 /nfs/dbraw/zinc/38/16/61/754381661.db2.gz VWFUXQXERRXVAD-LLVKDONJSA-N 1 1 325.390 0.002 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](OC)C2CCC2)[C@H](OC)C1 ZINC001213232355 754461422 /nfs/dbraw/zinc/46/14/22/754461422.db2.gz FLSZDCKSOGWUGK-BZUAXINKSA-N 1 1 326.437 0.820 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](NCc3ccn(C)n3)C[C@@H]2C)CC1 ZINC000989829826 754483557 /nfs/dbraw/zinc/48/35/57/754483557.db2.gz WZAIOBNGHRLKNT-YJBOKZPZSA-N 1 1 343.475 0.844 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001105873022 762318469 /nfs/dbraw/zinc/31/84/69/762318469.db2.gz IBVGNWLVQJUCCP-GXTWGEPZSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C(F)F)C[C@H]21 ZINC001009188822 754631252 /nfs/dbraw/zinc/63/12/52/754631252.db2.gz HEGJFRFNXSNNPR-RVMXOQNASA-N 1 1 325.359 0.170 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C(F)F)C[C@H]21 ZINC001009188822 754631254 /nfs/dbraw/zinc/63/12/54/754631254.db2.gz HEGJFRFNXSNNPR-RVMXOQNASA-N 1 1 325.359 0.170 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1)c1ncccn1 ZINC001051556514 762332953 /nfs/dbraw/zinc/33/29/53/762332953.db2.gz WFHYDFRTKQRKPK-TZMCWYRMSA-N 1 1 340.387 0.868 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=O)NC2CC2)CC3)c1 ZINC000990161281 754786123 /nfs/dbraw/zinc/78/61/23/754786123.db2.gz MJUQKXPPYGVMKY-MAUKXSAKSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)NC2CC2)CC3)c1 ZINC000990161281 754786127 /nfs/dbraw/zinc/78/61/27/754786127.db2.gz MJUQKXPPYGVMKY-MAUKXSAKSA-N 1 1 341.415 0.892 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001028711648 754795457 /nfs/dbraw/zinc/79/54/57/754795457.db2.gz DDZAFOVEUDYWGQ-LSDHHAIUSA-N 1 1 330.432 0.999 20 30 ECEDMO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)no1 ZINC001051557979 762335944 /nfs/dbraw/zinc/33/59/44/762335944.db2.gz DLKFVMXZCCRDPI-OAHLLOKOSA-N 1 1 329.360 0.814 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028774041 755066407 /nfs/dbraw/zinc/06/64/07/755066407.db2.gz RGNNBNAMQNUIPH-XHDPSFHLSA-N 1 1 345.378 0.317 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028774041 755066412 /nfs/dbraw/zinc/06/64/12/755066412.db2.gz RGNNBNAMQNUIPH-XHDPSFHLSA-N 1 1 345.378 0.317 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001028781515 755094530 /nfs/dbraw/zinc/09/45/30/755094530.db2.gz YNKKZGIQWQVPLI-CYBMUJFWSA-N 1 1 333.436 0.793 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001028781515 755094537 /nfs/dbraw/zinc/09/45/37/755094537.db2.gz YNKKZGIQWQVPLI-CYBMUJFWSA-N 1 1 333.436 0.793 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001028795353 755149416 /nfs/dbraw/zinc/14/94/16/755149416.db2.gz YLWFGHRHHIYIMV-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1F ZINC001028807791 755193780 /nfs/dbraw/zinc/19/37/80/755193780.db2.gz SRIQMMLKPNYARE-CFVMTHIKSA-N 1 1 344.390 0.757 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)[C@@H](O)C1 ZINC001083468869 755200561 /nfs/dbraw/zinc/20/05/61/755200561.db2.gz VNRMGMFAHCWDOU-NCOADZHNSA-N 1 1 331.416 0.897 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001040265474 755503681 /nfs/dbraw/zinc/50/36/81/755503681.db2.gz AFMSEAZYGYUBFG-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO C=C[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1)c1ccccc1 ZINC000990620544 755507274 /nfs/dbraw/zinc/50/72/74/755507274.db2.gz BTMXRYUUMMRRKW-IAGOWNOFSA-N 1 1 343.427 0.614 20 30 ECEDMO C=C[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)c1ccccc1 ZINC000990620544 755507279 /nfs/dbraw/zinc/50/72/79/755507279.db2.gz BTMXRYUUMMRRKW-IAGOWNOFSA-N 1 1 343.427 0.614 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)c1 ZINC000990699109 755646248 /nfs/dbraw/zinc/64/62/48/755646248.db2.gz MABUKUWPJJUUEB-UKRRQHHQSA-N 1 1 341.415 0.701 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@@H]1C(C)C ZINC001105669027 755655645 /nfs/dbraw/zinc/65/56/45/755655645.db2.gz ORYUXBUEOXFJSH-XYVMCAHJSA-N 1 1 336.480 0.818 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(C#N)n1 ZINC001105670949 755728713 /nfs/dbraw/zinc/72/87/13/755728713.db2.gz WSFULDNJKVPCDP-ZIAGYGMSSA-N 1 1 330.436 0.809 20 30 ECEDMO CN(C)S(=O)(=O)c1ccc(C[NH2+]CCNC(=O)C#CC2CC2)o1 ZINC001126881342 755778401 /nfs/dbraw/zinc/77/84/01/755778401.db2.gz PPYPLFCDDFRXLV-UHFFFAOYSA-N 1 1 339.417 0.149 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)nn1 ZINC001098658938 755779262 /nfs/dbraw/zinc/77/92/62/755779262.db2.gz LECYJPNGUKJIEU-DZGCQCFKSA-N 1 1 344.423 0.570 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)[C@@H](O)C1 ZINC001083522208 755880973 /nfs/dbraw/zinc/88/09/73/755880973.db2.gz XSVNCDQTEZITBQ-KGLIPLIRSA-N 1 1 348.447 0.726 20 30 ECEDMO COCc1noc(C[NH2+]C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC000990788872 755909774 /nfs/dbraw/zinc/90/97/74/755909774.db2.gz GDZMFELFOOOOPA-UHFFFAOYSA-N 1 1 344.375 0.810 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)[C@@H](O)C1 ZINC001083525348 755912502 /nfs/dbraw/zinc/91/25/02/755912502.db2.gz MCFLGUFKHONRKK-NEPJUHHUSA-N 1 1 346.387 0.978 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001060087644 755917179 /nfs/dbraw/zinc/91/71/79/755917179.db2.gz JTOLMOWUWBZXEY-LSDHHAIUSA-N 1 1 342.447 0.762 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001060087641 755917466 /nfs/dbraw/zinc/91/74/66/755917466.db2.gz JTOLMOWUWBZXEY-CABCVRRESA-N 1 1 342.447 0.762 20 30 ECEDMO C=C(C)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CC(=O)NC)CC1 ZINC001105678781 755936351 /nfs/dbraw/zinc/93/63/51/755936351.db2.gz ORDCPWIXDFQWBS-CALCHBBNSA-N 1 1 348.491 0.838 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001076028524 756016035 /nfs/dbraw/zinc/01/60/35/756016035.db2.gz FPECUOHYDWLEJR-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001076028524 756016042 /nfs/dbraw/zinc/01/60/42/756016042.db2.gz FPECUOHYDWLEJR-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076028550 756016497 /nfs/dbraw/zinc/01/64/97/756016497.db2.gz GOSHOZHHIIYYEP-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076028550 756016504 /nfs/dbraw/zinc/01/65/04/756016504.db2.gz GOSHOZHHIIYYEP-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001076076621 756062538 /nfs/dbraw/zinc/06/25/38/756062538.db2.gz UYWYZFSUOHBCIC-NSHDSACASA-N 1 1 328.376 0.716 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)C1=O ZINC001010384149 756068812 /nfs/dbraw/zinc/06/88/12/756068812.db2.gz KCTAXGXTVWOUCA-KBPBESRZSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)C1=O ZINC001010384149 756068817 /nfs/dbraw/zinc/06/88/17/756068817.db2.gz KCTAXGXTVWOUCA-KBPBESRZSA-N 1 1 332.379 0.812 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCNC4=O)[C@@H]3C2)cc1 ZINC001076125891 756115450 /nfs/dbraw/zinc/11/54/50/756115450.db2.gz DFDPETODKARWBM-GVDBMIGSSA-N 1 1 338.411 0.727 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001010456411 756150388 /nfs/dbraw/zinc/15/03/88/756150388.db2.gz FXTKKEYZTIOQHI-AWEZNQCLSA-N 1 1 327.392 0.599 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1N(C(=O)[C@@H](C)C#N)CC2 ZINC001014287884 762448274 /nfs/dbraw/zinc/44/82/74/762448274.db2.gz ZEFDGMGLUYDFKX-QEORTHHSSA-N 1 1 329.404 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1coc(C)n1 ZINC001076262093 756298441 /nfs/dbraw/zinc/29/84/41/756298441.db2.gz MQRRIMOJBQPWBS-WFASDCNBSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1coc(C)n1 ZINC001076262093 756298445 /nfs/dbraw/zinc/29/84/45/756298445.db2.gz MQRRIMOJBQPWBS-WFASDCNBSA-N 1 1 332.404 0.705 20 30 ECEDMO Cn1cc(Cl)c(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051608697 762457658 /nfs/dbraw/zinc/45/76/58/762457658.db2.gz HBUMWHNKMAZGKX-CYBMUJFWSA-N 1 1 336.823 0.804 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001076267640 756305284 /nfs/dbraw/zinc/30/52/84/756305284.db2.gz CHFYGDIOKYFQCA-SOUVJXGZSA-N 1 1 330.436 0.734 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)[nH]1 ZINC001010658310 756360863 /nfs/dbraw/zinc/36/08/63/756360863.db2.gz RMJHYGHMZUCQAL-JSGCOSHPSA-N 1 1 329.404 0.607 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)c1 ZINC001010668036 756373437 /nfs/dbraw/zinc/37/34/37/756373437.db2.gz LIYNUVPZEAJGCK-CQSZACIVSA-N 1 1 326.360 0.246 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)s1 ZINC001010670779 756377251 /nfs/dbraw/zinc/37/72/51/756377251.db2.gz QMWASHMOBSNGRP-ZDUSSCGKSA-N 1 1 334.445 0.642 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)s1 ZINC001010670779 756377254 /nfs/dbraw/zinc/37/72/54/756377254.db2.gz QMWASHMOBSNGRP-ZDUSSCGKSA-N 1 1 334.445 0.642 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001010690363 756402757 /nfs/dbraw/zinc/40/27/57/756402757.db2.gz JWRDUAUBQWCEJV-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001010741341 756468657 /nfs/dbraw/zinc/46/86/57/756468657.db2.gz UIDMDXDJJODYOG-GJZGRUSLSA-N 1 1 332.448 0.939 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001010751302 756480084 /nfs/dbraw/zinc/48/00/84/756480084.db2.gz DPRLPSQHAVMPDZ-MRXNPFEDSA-N 1 1 344.390 0.866 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001010751302 756480088 /nfs/dbraw/zinc/48/00/88/756480088.db2.gz DPRLPSQHAVMPDZ-MRXNPFEDSA-N 1 1 344.390 0.866 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4nocc4C)[C@@H]3C2)C1=O ZINC001076435694 756510611 /nfs/dbraw/zinc/51/06/11/756510611.db2.gz CDYKAOLBIROJHA-RRFJBIMHSA-N 1 1 344.415 0.916 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1 ZINC001076441038 756519357 /nfs/dbraw/zinc/51/93/57/756519357.db2.gz MHGGMDUFWLBWQJ-XJKSGUPXSA-N 1 1 331.420 0.962 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076503452 756586411 /nfs/dbraw/zinc/58/64/11/756586411.db2.gz IVCGQWVEOYSTHQ-LZWOXQAQSA-N 1 1 339.461 0.014 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076529895 756615399 /nfs/dbraw/zinc/61/53/99/756615399.db2.gz PYGOHVKUPLIWMN-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076529895 756615401 /nfs/dbraw/zinc/61/54/01/756615401.db2.gz PYGOHVKUPLIWMN-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001010875640 756629002 /nfs/dbraw/zinc/62/90/02/756629002.db2.gz IQFNPIRPBOPVJX-MRXNPFEDSA-N 1 1 346.431 0.289 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001010875640 756629005 /nfs/dbraw/zinc/62/90/05/756629005.db2.gz IQFNPIRPBOPVJX-MRXNPFEDSA-N 1 1 346.431 0.289 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010925206 756674471 /nfs/dbraw/zinc/67/44/71/756674471.db2.gz KMQPNTYXLDQGPH-UHFFFAOYSA-N 1 1 326.360 0.376 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001076577323 756689899 /nfs/dbraw/zinc/68/98/99/756689899.db2.gz ZNNCJODPTQNBAD-ZFWWWQNUSA-N 1 1 348.451 0.573 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001051620241 762491798 /nfs/dbraw/zinc/49/17/98/762491798.db2.gz PFBRFZLAZBIVJD-ZNMIVQPWSA-N 1 1 349.435 0.411 20 30 ECEDMO Cc1nonc1C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771165 756944058 /nfs/dbraw/zinc/94/40/58/756944058.db2.gz DAEOMMRQWPNXPX-TXEJJXNPSA-N 1 1 326.360 0.782 20 30 ECEDMO Cc1nonc1C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771165 756944065 /nfs/dbraw/zinc/94/40/65/756944065.db2.gz DAEOMMRQWPNXPX-TXEJJXNPSA-N 1 1 326.360 0.782 20 30 ECEDMO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)o1 ZINC001048778992 756965429 /nfs/dbraw/zinc/96/54/29/756965429.db2.gz NQIZOZLVQONSDF-BETUJISGSA-N 1 1 326.360 0.782 20 30 ECEDMO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)o1 ZINC001048778992 756965437 /nfs/dbraw/zinc/96/54/37/756965437.db2.gz NQIZOZLVQONSDF-BETUJISGSA-N 1 1 326.360 0.782 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076768856 757060979 /nfs/dbraw/zinc/06/09/79/757060979.db2.gz MFKXPKHDHZCNJH-SWLSCSKDSA-N 1 1 347.419 0.232 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076768856 757060989 /nfs/dbraw/zinc/06/09/89/757060989.db2.gz MFKXPKHDHZCNJH-SWLSCSKDSA-N 1 1 347.419 0.232 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048811572 757072131 /nfs/dbraw/zinc/07/21/31/757072131.db2.gz ZPKNKBCATWMUAY-JYJNAYRXSA-N 1 1 335.448 0.018 20 30 ECEDMO CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC001048824725 757115119 /nfs/dbraw/zinc/11/51/19/757115119.db2.gz IERZAAQXYFJMQS-HOTGVXAUSA-N 1 1 347.459 0.162 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001048826542 757123018 /nfs/dbraw/zinc/12/30/18/757123018.db2.gz GDJAFNQJIYTJTM-UUAJXVIYSA-N 1 1 349.475 0.835 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCc1cn(C2C[NH+](C[C@H](C)OC)C2)nn1 ZINC001107163805 757197184 /nfs/dbraw/zinc/19/71/84/757197184.db2.gz BQUVCJJUQTZCBV-BLLLJJGKSA-N 1 1 337.424 0.113 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CO[C@@H]3CCOC3)nn2)C1 ZINC001107172771 757209522 /nfs/dbraw/zinc/20/95/22/757209522.db2.gz LDYQTFDHNGCZRP-OAHLLOKOSA-N 1 1 335.408 0.133 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048864553 757222239 /nfs/dbraw/zinc/22/22/39/757222239.db2.gz JLANTRABNWXVIE-QLFBSQMISA-N 1 1 328.416 0.566 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@H]2C1 ZINC001048870321 757238863 /nfs/dbraw/zinc/23/88/63/757238863.db2.gz XXYUHJJZETVOBH-JZXOWHBKSA-N 1 1 342.443 0.971 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076812604 757257920 /nfs/dbraw/zinc/25/79/20/757257920.db2.gz NCAJQBYOVVZBNO-FGTMMUONSA-N 1 1 345.418 0.433 20 30 ECEDMO C=CCC(CC=C)C(=O)NCc1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001107173966 757281911 /nfs/dbraw/zinc/28/19/11/757281911.db2.gz KYIJWFCRCHNCLC-CYBMUJFWSA-N 1 1 333.436 0.900 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)C[N@H+](C)C3CCC3)nn2)C1 ZINC001107179695 757296805 /nfs/dbraw/zinc/29/68/05/757296805.db2.gz QRYKYKDYSBWUCQ-UHFFFAOYSA-N 1 1 330.436 0.259 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C[C@H]2C1 ZINC001048898709 757338416 /nfs/dbraw/zinc/33/84/16/757338416.db2.gz JVZPXEGPPJBELC-MELADBBJSA-N 1 1 331.420 0.512 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cnc4ccc(OC)nn43)C[C@H]2C1 ZINC001048899317 757339728 /nfs/dbraw/zinc/33/97/28/757339728.db2.gz URXTXKJZTXNTQZ-BETUJISGSA-N 1 1 325.372 0.375 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N[C@H](CC(C)C)C3)C[C@H]2C1 ZINC001048911262 757369358 /nfs/dbraw/zinc/36/93/58/757369358.db2.gz ARWKOULPCVEHFA-WCXIOVBPSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cn(C(C)C)cn2)C1 ZINC000996324651 757371106 /nfs/dbraw/zinc/37/11/06/757371106.db2.gz AAFUANVSZZVZOC-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cn(C(C)C)cn2)C1 ZINC000996324651 757371118 /nfs/dbraw/zinc/37/11/18/757371118.db2.gz AAFUANVSZZVZOC-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO C=CCCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](C)O)nn1 ZINC001021404079 757397930 /nfs/dbraw/zinc/39/79/30/757397930.db2.gz QFBGTXBEILGQBF-AVOUXACISA-N 1 1 333.436 0.960 20 30 ECEDMO Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855791 757398528 /nfs/dbraw/zinc/39/85/28/757398528.db2.gz NSGRGAKQJCTMHH-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855791 757398537 /nfs/dbraw/zinc/39/85/37/757398537.db2.gz NSGRGAKQJCTMHH-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cnc4sccn4c3=O)C[C@H]2C1 ZINC001048924120 757426019 /nfs/dbraw/zinc/42/60/19/757426019.db2.gz RFUQRJUMZWEFAY-TXEJJXNPSA-N 1 1 328.397 0.393 20 30 ECEDMO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048937909 757465045 /nfs/dbraw/zinc/46/50/45/757465045.db2.gz YFBIHPJEJIZSPU-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001048941490 757474926 /nfs/dbraw/zinc/47/49/26/757474926.db2.gz VKIPWKAMBDKLAG-GJZGRUSLSA-N 1 1 325.453 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(CC)cn2)CC1 ZINC001011314275 757488622 /nfs/dbraw/zinc/48/86/22/757488622.db2.gz RHTQPTCNZAMARG-INIZCTEOSA-N 1 1 343.431 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(CC)cn2)CC1 ZINC001011314275 757488631 /nfs/dbraw/zinc/48/86/31/757488631.db2.gz RHTQPTCNZAMARG-INIZCTEOSA-N 1 1 343.431 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ocnc2CC)CC1 ZINC001011314687 757489582 /nfs/dbraw/zinc/48/95/82/757489582.db2.gz DXQBBLYBQVGDET-HNNXBMFYSA-N 1 1 344.415 0.619 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ocnc2CC)CC1 ZINC001011314687 757489584 /nfs/dbraw/zinc/48/95/84/757489584.db2.gz DXQBBLYBQVGDET-HNNXBMFYSA-N 1 1 344.415 0.619 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001011315047 757491052 /nfs/dbraw/zinc/49/10/52/757491052.db2.gz VNPIXONOECCLNH-HZMVEIRTSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001011315047 757491055 /nfs/dbraw/zinc/49/10/55/757491055.db2.gz VNPIXONOECCLNH-HZMVEIRTSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001011314842 757491311 /nfs/dbraw/zinc/49/13/11/757491311.db2.gz NWJFUDBYNUAACN-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001011314842 757491315 /nfs/dbraw/zinc/49/13/15/757491315.db2.gz NWJFUDBYNUAACN-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cnco4)C[C@H]3C2)C1=O ZINC001048967609 757542601 /nfs/dbraw/zinc/54/26/01/757542601.db2.gz JPQXBJMNQWONJO-MJBXVCDLSA-N 1 1 330.388 0.465 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)Cc3ccccc3C(N)=O)C[C@H]2C1 ZINC001048973511 757562949 /nfs/dbraw/zinc/56/29/49/757562949.db2.gz NRYWYSDVJDRPQM-IYBDPMFKSA-N 1 1 325.412 0.742 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]3C2)cc1 ZINC001048973738 757563030 /nfs/dbraw/zinc/56/30/30/757563030.db2.gz VHSFWRFSZTVCRH-XYPHTWIQSA-N 1 1 325.412 0.806 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC001021567405 757608825 /nfs/dbraw/zinc/60/88/25/757608825.db2.gz RLICVARBLRAQJP-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021580058 757635914 /nfs/dbraw/zinc/63/59/14/757635914.db2.gz BMCCQBPMHJBNNZ-HOTGVXAUSA-N 1 1 338.473 0.757 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021580058 757635924 /nfs/dbraw/zinc/63/59/24/757635924.db2.gz BMCCQBPMHJBNNZ-HOTGVXAUSA-N 1 1 338.473 0.757 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@H]21 ZINC001021589377 757652118 /nfs/dbraw/zinc/65/21/18/757652118.db2.gz TYWCGESPCZKDHF-QKLQHJQFSA-N 1 1 341.455 0.945 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000996435578 757669674 /nfs/dbraw/zinc/66/96/74/757669674.db2.gz KFTZQIYNRDXUQW-OAHLLOKOSA-N 1 1 339.439 0.879 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)cn2)C1 ZINC001021636526 757718741 /nfs/dbraw/zinc/71/87/41/757718741.db2.gz QNHWYOIYFIKBNM-ZBFHGGJFSA-N 1 1 328.416 0.730 20 30 ECEDMO NC(=O)C1(C(=O)N2C[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001049022223 757718872 /nfs/dbraw/zinc/71/88/72/757718872.db2.gz JZDMYZHRRQBZNB-CALCHBBNSA-N 1 1 337.423 0.694 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001076954541 757724297 /nfs/dbraw/zinc/72/42/97/757724297.db2.gz SITWYWSEELEWDY-KBPBESRZSA-N 1 1 334.420 0.974 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]21 ZINC001021662903 757756648 /nfs/dbraw/zinc/75/66/48/757756648.db2.gz YQODADNSEUJXHV-WBVHZDCISA-N 1 1 343.402 0.975 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001021682855 757777670 /nfs/dbraw/zinc/77/76/70/757777670.db2.gz UVEBOSRGNSPXIF-HIFRSBDPSA-N 1 1 346.431 0.197 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001021688266 757783886 /nfs/dbraw/zinc/78/38/86/757783886.db2.gz MNIIWLYAWVWOOC-DZGCQCFKSA-N 1 1 339.399 0.995 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccncc3C)C2)C1=O ZINC001014383267 762575823 /nfs/dbraw/zinc/57/58/23/762575823.db2.gz ZAPBXXCAQAQMLG-HOCLYGCPSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccncc3C)C2)C1=O ZINC001014383267 762575828 /nfs/dbraw/zinc/57/58/28/762575828.db2.gz ZAPBXXCAQAQMLG-HOCLYGCPSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@H]2C1 ZINC001049057699 757810708 /nfs/dbraw/zinc/81/07/08/757810708.db2.gz QRKHMNAVOSCREZ-OKILXGFUSA-N 1 1 330.432 0.713 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001021701175 757821291 /nfs/dbraw/zinc/82/12/91/757821291.db2.gz VZFKELRXMYTXCP-HIFRSBDPSA-N 1 1 344.415 0.685 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001021712562 757848017 /nfs/dbraw/zinc/84/80/17/757848017.db2.gz JWLOYLYYTLGELB-NEPJUHHUSA-N 1 1 346.387 0.456 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049068075 757869683 /nfs/dbraw/zinc/86/96/83/757869683.db2.gz JIMHOQAPTMERJB-QXSJWSMHSA-N 1 1 331.420 0.259 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021730379 757873942 /nfs/dbraw/zinc/87/39/42/757873942.db2.gz NDGFQCXOYQBFOA-CABCVRRESA-N 1 1 348.447 0.769 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C(N)=O)n2)C1 ZINC001021743873 757894290 /nfs/dbraw/zinc/89/42/90/757894290.db2.gz SECCDLHTCUQMJW-CJNGLKHVSA-N 1 1 326.400 0.740 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001076996930 757898471 /nfs/dbraw/zinc/89/84/71/757898471.db2.gz UXRXYZHYDYATJL-DAXOMENPSA-N 1 1 336.436 0.750 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001076996930 757898482 /nfs/dbraw/zinc/89/84/82/757898482.db2.gz UXRXYZHYDYATJL-DAXOMENPSA-N 1 1 336.436 0.750 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001077019391 757951062 /nfs/dbraw/zinc/95/10/62/757951062.db2.gz RZZLKYZVDAXMQY-VQHPVUNQSA-N 1 1 348.447 0.371 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001077019391 757951067 /nfs/dbraw/zinc/95/10/67/757951067.db2.gz RZZLKYZVDAXMQY-VQHPVUNQSA-N 1 1 348.447 0.371 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C3(n4cnnn4)CCOCC3)C[C@H]2C1 ZINC001049109966 757984948 /nfs/dbraw/zinc/98/49/48/757984948.db2.gz YUTKDVLUKOJELK-GASCZTMLSA-N 1 1 346.435 0.145 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3cnn(C)c3)nn2)C1 ZINC001107244570 758006442 /nfs/dbraw/zinc/00/64/42/758006442.db2.gz ZNEMSGKVSCHSIC-ZDUSSCGKSA-N 1 1 343.435 0.864 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)c1 ZINC001011574876 758037385 /nfs/dbraw/zinc/03/73/85/758037385.db2.gz UVOAADZSCNVXRE-UHFFFAOYSA-N 1 1 337.383 0.552 20 30 ECEDMO C=CCO[C@H](C)C(=O)NCc1cn(C2C[NH+]([C@H](C)COC)C2)nn1 ZINC001107240725 758041727 /nfs/dbraw/zinc/04/17/27/758041727.db2.gz GTGVJNWXHKDEEL-CHWSQXEVSA-N 1 1 337.424 0.377 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)n(C)n2)C1=O ZINC001032303644 758083795 /nfs/dbraw/zinc/08/37/95/758083795.db2.gz DJDWBSDYCTXLLQ-DZKIICNBSA-N 1 1 343.431 0.414 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)n(C)n2)C1=O ZINC001032303644 758083798 /nfs/dbraw/zinc/08/37/98/758083798.db2.gz DJDWBSDYCTXLLQ-DZKIICNBSA-N 1 1 343.431 0.414 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001021940828 758086222 /nfs/dbraw/zinc/08/62/22/758086222.db2.gz GBHHLTWFSRRMGO-TXEJJXNPSA-N 1 1 328.380 0.504 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049140795 758108246 /nfs/dbraw/zinc/10/82/46/758108246.db2.gz SKBMQBVDKSDSMT-HRCADAONSA-N 1 1 345.447 0.895 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001051653988 762600566 /nfs/dbraw/zinc/60/05/66/762600566.db2.gz FBYHNOMFFBUXFM-CQSZACIVSA-N 1 1 344.419 0.433 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051654382 762601450 /nfs/dbraw/zinc/60/14/50/762601450.db2.gz MBYSIDFHHQMUTH-CQSZACIVSA-N 1 1 331.376 0.688 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001077087464 758152225 /nfs/dbraw/zinc/15/22/25/758152225.db2.gz IZTHGRXMYIVKSC-ARFHVFGLSA-N 1 1 337.464 0.618 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@H]2C1 ZINC001049161320 758177307 /nfs/dbraw/zinc/17/73/07/758177307.db2.gz IQNBDQUSWHHCMK-HRCADAONSA-N 1 1 338.473 0.615 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 ZINC001077110173 758195974 /nfs/dbraw/zinc/19/59/74/758195974.db2.gz FSFYZAZEEAXMHS-YNEHKIRRSA-N 1 1 336.440 0.269 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049171277 758210644 /nfs/dbraw/zinc/21/06/44/758210644.db2.gz BGSVGRJALGWDBC-KKUMJFAQSA-N 1 1 337.464 0.571 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)=O)CCC[C@@H]12 ZINC001107292671 758210804 /nfs/dbraw/zinc/21/08/04/758210804.db2.gz KSEALEWHYGDJEI-SJLPKXTDSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)SC)CCC[C@@H]12 ZINC001107295070 758215511 /nfs/dbraw/zinc/21/55/11/758215511.db2.gz NELVAPPAANRJQW-JJRVBVJISA-N 1 1 337.489 0.848 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC001049180471 758240381 /nfs/dbraw/zinc/24/03/81/758240381.db2.gz IQNZRVSXFCQBDO-GJZGRUSLSA-N 1 1 337.464 0.713 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC(=O)N3)CCC[C@@H]12 ZINC001107323441 758245305 /nfs/dbraw/zinc/24/53/05/758245305.db2.gz BCUIAQRLOPAGFK-IIDMSEBBSA-N 1 1 333.432 0.276 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001077123766 758249140 /nfs/dbraw/zinc/24/91/40/758249140.db2.gz CASGHRCQNAHMMN-JYJNAYRXSA-N 1 1 334.464 0.189 20 30 ECEDMO CC[C@H](OC)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107315337 758250319 /nfs/dbraw/zinc/25/03/19/758250319.db2.gz OVGKCJITYWEHNF-JJRVBVJISA-N 1 1 336.436 0.412 20 30 ECEDMO C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128761 758267984 /nfs/dbraw/zinc/26/79/84/758267984.db2.gz CTLDUFVJUNSXLQ-BRWVUGGUSA-N 1 1 337.464 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC001077124363 758285467 /nfs/dbraw/zinc/28/54/67/758285467.db2.gz UBBJQFLHQXNCJE-ZFWWWQNUSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC001077124363 758285478 /nfs/dbraw/zinc/28/54/78/758285478.db2.gz UBBJQFLHQXNCJE-ZFWWWQNUSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccsn1 ZINC001077124756 758287075 /nfs/dbraw/zinc/28/70/75/758287075.db2.gz DZEPXBPTBHRMMW-JSGCOSHPSA-N 1 1 334.445 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccsn1 ZINC001077124756 758287082 /nfs/dbraw/zinc/28/70/82/758287082.db2.gz DZEPXBPTBHRMMW-JSGCOSHPSA-N 1 1 334.445 0.865 20 30 ECEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107327038 758291502 /nfs/dbraw/zinc/29/15/02/758291502.db2.gz PCRUJMWKHYUSLY-CXAGYDPISA-N 1 1 333.436 0.935 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077138340 758294334 /nfs/dbraw/zinc/29/43/34/758294334.db2.gz DOPOGCKXEIRNQW-ZMSDIMECSA-N 1 1 333.432 0.876 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001077133758 758303552 /nfs/dbraw/zinc/30/35/52/758303552.db2.gz ZXCHRDJQZKIIAO-HZPDHXFCSA-N 1 1 325.368 0.739 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001077133758 758303564 /nfs/dbraw/zinc/30/35/64/758303564.db2.gz ZXCHRDJQZKIIAO-HZPDHXFCSA-N 1 1 325.368 0.739 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001049207008 758306792 /nfs/dbraw/zinc/30/67/92/758306792.db2.gz PEZMQVMWQKMNLP-TUAOUCFPSA-N 1 1 340.811 0.117 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN(C)CCO3)CCC[C@@H]12 ZINC001107343108 758312151 /nfs/dbraw/zinc/31/21/51/758312151.db2.gz LEQYQISAYPHYBE-YQVWRLOYSA-N 1 1 349.475 0.328 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)COCCCC)CCC[C@@H]12 ZINC001107343257 758314190 /nfs/dbraw/zinc/31/41/90/758314190.db2.gz STFSKFUAZUYNOY-VQIMIIECSA-N 1 1 349.475 0.913 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCNS(C)(=O)=O)CC2 ZINC001107336251 758318863 /nfs/dbraw/zinc/31/88/63/758318863.db2.gz JCLSVLDINHKWCZ-UMVBOHGHSA-N 1 1 342.465 0.056 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)CCC=C)C[C@@H](C)O2 ZINC001111539079 758383452 /nfs/dbraw/zinc/38/34/52/758383452.db2.gz WGTPHACTDQTXQE-MRXNPFEDSA-N 1 1 347.459 0.784 20 30 ECEDMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077161446 758383532 /nfs/dbraw/zinc/38/35/32/758383532.db2.gz ZZFSAYCSVCLQOD-DXEWXGHRSA-N 1 1 345.399 0.023 20 30 ECEDMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077161446 758383542 /nfs/dbraw/zinc/38/35/42/758383542.db2.gz ZZFSAYCSVCLQOD-DXEWXGHRSA-N 1 1 345.399 0.023 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)COc3cccc(C(N)=O)c3)C[C@H]2C1 ZINC001049230923 758389725 /nfs/dbraw/zinc/38/97/25/758389725.db2.gz HFTODRBYRDODJC-GASCZTMLSA-N 1 1 327.384 0.188 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001077166915 758399842 /nfs/dbraw/zinc/39/98/42/758399842.db2.gz OWDYSCZRFYQJAA-MUIFIZLQSA-N 1 1 348.447 0.718 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)Cc3ccc(C(N)=O)cc3)C[C@H]2C1 ZINC001049243465 758420568 /nfs/dbraw/zinc/42/05/68/758420568.db2.gz PSWMLQHXQRZIOE-CALCHBBNSA-N 1 1 325.412 0.742 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3COC(=O)N3)CCC[C@@H]12 ZINC001107388696 758441833 /nfs/dbraw/zinc/44/18/33/758441833.db2.gz WYYKMBFKZKLLKK-JJRVBVJISA-N 1 1 337.420 0.658 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107401518 758499914 /nfs/dbraw/zinc/49/99/14/758499914.db2.gz RQTKOXURXVWNOM-IIDMSEBBSA-N 1 1 346.431 0.025 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC001011770912 758534217 /nfs/dbraw/zinc/53/42/17/758534217.db2.gz GWPVUQBXQDIVQC-FZMZJTMJSA-N 1 1 340.387 0.811 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O ZINC001077237611 758573029 /nfs/dbraw/zinc/57/30/29/758573029.db2.gz MPMYVGBPUKPNCM-CEXWTWQISA-N 1 1 341.455 0.684 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCNC3=O)CCC[C@@H]12 ZINC001107441316 758573831 /nfs/dbraw/zinc/57/38/31/758573831.db2.gz QSXFVTBWZWXMNY-GPMSIDNRSA-N 1 1 347.459 0.523 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001011794480 758600286 /nfs/dbraw/zinc/60/02/86/758600286.db2.gz QPGSOOAWCLDWQR-XAUUPUKJSA-N 1 1 347.459 0.733 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)C1 ZINC001107465522 758622606 /nfs/dbraw/zinc/62/26/06/758622606.db2.gz DMTYYQPSPRGLJV-NHZBNJEXSA-N 1 1 344.419 0.542 20 30 ECEDMO O=C(NCCNCC#Cc1ccc(F)cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779975 758630882 /nfs/dbraw/zinc/63/08/82/758630882.db2.gz UPZLRAQSEJYZGH-MSOLQXFVSA-N 1 1 345.418 0.746 20 30 ECEDMO O=C(NCCNCC#Cc1ccc(F)cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779975 758630887 /nfs/dbraw/zinc/63/08/87/758630887.db2.gz UPZLRAQSEJYZGH-MSOLQXFVSA-N 1 1 345.418 0.746 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001077265061 758640781 /nfs/dbraw/zinc/64/07/81/758640781.db2.gz BZRBQDGWYLBRJC-RCCFBDPRSA-N 1 1 328.412 0.989 20 30 ECEDMO Cc1n[nH]cc1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107494458 758748164 /nfs/dbraw/zinc/74/81/64/758748164.db2.gz ILXVLXSRZRPQOE-RHSMWYFYSA-N 1 1 344.419 0.332 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049507906 758825166 /nfs/dbraw/zinc/82/51/66/758825166.db2.gz NFWCJGPQHZKKLO-GJZGRUSLSA-N 1 1 341.477 0.663 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049550937 758913065 /nfs/dbraw/zinc/91/30/65/758913065.db2.gz CRVKXYZXQRKFCE-HZPDHXFCSA-N 1 1 328.416 0.974 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001049556987 758918825 /nfs/dbraw/zinc/91/88/25/758918825.db2.gz DJPKTSFDEUZWCP-SOUVJXGZSA-N 1 1 343.431 0.635 20 30 ECEDMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001014431824 762672495 /nfs/dbraw/zinc/67/24/95/762672495.db2.gz VTOJXPYOKVKNPQ-HNNXBMFYSA-N 1 1 344.806 0.569 20 30 ECEDMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001014431824 762672497 /nfs/dbraw/zinc/67/24/97/762672497.db2.gz VTOJXPYOKVKNPQ-HNNXBMFYSA-N 1 1 344.806 0.569 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001049579352 758957208 /nfs/dbraw/zinc/95/72/08/758957208.db2.gz GAEDMVNBPNJXNH-ARFHVFGLSA-N 1 1 332.448 0.866 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049622649 759005597 /nfs/dbraw/zinc/00/55/97/759005597.db2.gz WXYIVKZGLQDIIM-XLAORIBOSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nc2ccccn2c1=O ZINC001049624896 759008177 /nfs/dbraw/zinc/00/81/77/759008177.db2.gz JSCDGECDJFZOEY-CABCVRRESA-N 1 1 339.399 0.195 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001049636112 759033315 /nfs/dbraw/zinc/03/33/15/759033315.db2.gz PEPLCWFCHYKRQO-YNEHKIRRSA-N 1 1 326.828 0.828 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001049636112 759033321 /nfs/dbraw/zinc/03/33/21/759033321.db2.gz PEPLCWFCHYKRQO-YNEHKIRRSA-N 1 1 326.828 0.828 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001126987942 759082397 /nfs/dbraw/zinc/08/23/97/759082397.db2.gz ZLETUKQZKUSDTJ-UHFFFAOYSA-N 1 1 330.436 0.903 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049722656 759133111 /nfs/dbraw/zinc/13/31/11/759133111.db2.gz KTOYLGPBOWGAER-VVLHAWIVSA-N 1 1 347.459 0.711 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(CC)no3)C2)nn1 ZINC001022825169 759148493 /nfs/dbraw/zinc/14/84/93/759148493.db2.gz UUPWDFRTVBJBCK-PHIMTYICSA-N 1 1 331.380 0.460 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001049767358 759180523 /nfs/dbraw/zinc/18/05/23/759180523.db2.gz FWYGUAISOHFXDL-STQMWFEESA-N 1 1 348.403 0.048 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nnnc1C(C)C ZINC001049773978 759188926 /nfs/dbraw/zinc/18/89/26/759188926.db2.gz UDVPLKPMMPVKJR-LSDHHAIUSA-N 1 1 330.436 0.885 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049788019 759208371 /nfs/dbraw/zinc/20/83/71/759208371.db2.gz MMAXLQLXKGUHSI-UONOGXRCSA-N 1 1 332.404 0.178 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(=O)n(CC)n1 ZINC001049792906 759216802 /nfs/dbraw/zinc/21/68/02/759216802.db2.gz LGEXMFRIQPIXRU-JKSUJKDBSA-N 1 1 328.416 0.965 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001212131781 759217653 /nfs/dbraw/zinc/21/76/53/759217653.db2.gz UOUHGBDHUJHUIX-HZPDHXFCSA-N 1 1 332.404 0.742 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn([C@H]2CCOC2)nn1 ZINC001049830336 759266281 /nfs/dbraw/zinc/26/62/81/759266281.db2.gz FPLDLOAVQBRVMX-BHYGNILZSA-N 1 1 343.431 0.942 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001049836046 759271437 /nfs/dbraw/zinc/27/14/37/759271437.db2.gz UMZJKWQDWMCWDH-GJZGRUSLSA-N 1 1 343.431 0.080 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049873378 759328742 /nfs/dbraw/zinc/32/87/42/759328742.db2.gz WUSZIYKYLQVSHQ-STQMWFEESA-N 1 1 332.404 0.015 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049885248 759348137 /nfs/dbraw/zinc/34/81/37/759348137.db2.gz NCJIYDIROMVLCC-OLZOCXBDSA-N 1 1 327.388 0.278 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCc3ccccc32)C1 ZINC001047629841 759343580 /nfs/dbraw/zinc/34/35/80/759343580.db2.gz ZYPCOFNQRMCBJE-ROUUACIJSA-N 1 1 327.428 0.576 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCc3ccccc32)C1 ZINC001047629841 759343590 /nfs/dbraw/zinc/34/35/90/759343590.db2.gz ZYPCOFNQRMCBJE-ROUUACIJSA-N 1 1 327.428 0.576 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1NC(=O)NC1=O ZINC001049885972 759349188 /nfs/dbraw/zinc/34/91/88/759349188.db2.gz QZDRULZHDUVZNC-HZSPNIEDSA-N 1 1 334.420 0.616 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1nc2ncccn2n1 ZINC001049889823 759355769 /nfs/dbraw/zinc/35/57/69/759355769.db2.gz JEIMSWAHBXVATG-GJZGRUSLSA-N 1 1 338.415 0.755 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001047638225 759372984 /nfs/dbraw/zinc/37/29/84/759372984.db2.gz HNWKZGAUZJIRHM-AGIUHOORSA-N 1 1 333.354 0.150 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001047638225 759372994 /nfs/dbraw/zinc/37/29/94/759372994.db2.gz HNWKZGAUZJIRHM-AGIUHOORSA-N 1 1 333.354 0.150 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001049900971 759380936 /nfs/dbraw/zinc/38/09/36/759380936.db2.gz WCFXEQBKJBHOJO-YNEHKIRRSA-N 1 1 347.868 0.496 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001049900971 759380944 /nfs/dbraw/zinc/38/09/44/759380944.db2.gz WCFXEQBKJBHOJO-YNEHKIRRSA-N 1 1 347.868 0.496 20 30 ECEDMO C=CCOc1ccc(CC(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)cc1 ZINC001047640929 759385739 /nfs/dbraw/zinc/38/57/39/759385739.db2.gz MFWKOQXHWYZTAQ-JLSDUUJJSA-N 1 1 348.443 0.678 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)c(NC(C)=O)c2)C1 ZINC001047644218 759392125 /nfs/dbraw/zinc/39/21/25/759392125.db2.gz DBTGPJAJRJFRJW-IRXDYDNUSA-N 1 1 347.390 0.925 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nncn2C1 ZINC001049920249 759404640 /nfs/dbraw/zinc/40/46/40/759404640.db2.gz RASNKULIZIAWLT-OWCLPIDISA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001054242218 767857327 /nfs/dbraw/zinc/85/73/27/767857327.db2.gz HURBFNYZALZFLX-PKOBYXMFSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc3nsnc32)C1 ZINC001047658942 759418798 /nfs/dbraw/zinc/41/87/98/759418798.db2.gz QYZQXBKCYDSBFS-GJZGRUSLSA-N 1 1 344.440 0.761 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc3nsnc32)C1 ZINC001047658942 759418806 /nfs/dbraw/zinc/41/88/06/759418806.db2.gz QYZQXBKCYDSBFS-GJZGRUSLSA-N 1 1 344.440 0.761 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cn[nH]c4)[C@@H]3C2)C1=O ZINC001049985959 759498604 /nfs/dbraw/zinc/49/86/04/759498604.db2.gz VWFFEFUOQVPATB-NUEKZKHPSA-N 1 1 343.431 0.733 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)C1=O ZINC001050045480 759610075 /nfs/dbraw/zinc/61/00/75/759610075.db2.gz GKNZYHQECFRUIJ-GVDBMIGSSA-N 1 1 329.444 0.943 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001047863731 759621128 /nfs/dbraw/zinc/62/11/28/759621128.db2.gz IORLKFDEDLTUHU-KBPBESRZSA-N 1 1 343.435 0.838 20 30 ECEDMO C#CCOCCC(=O)N1CCC(OC2C[NH+]([C@H](C)COC)C2)CC1 ZINC001105708445 759644062 /nfs/dbraw/zinc/64/40/62/759644062.db2.gz IDRZMNZARRIJGA-OAHLLOKOSA-N 1 1 338.448 0.753 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)[C@@H]2C1 ZINC001050089234 759682604 /nfs/dbraw/zinc/68/26/04/759682604.db2.gz YZRDNQVAVKXLLR-ARFHVFGLSA-N 1 1 332.448 0.723 20 30 ECEDMO CC#CCN1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100301 759701836 /nfs/dbraw/zinc/70/18/36/759701836.db2.gz YGMJXUJBZLKHEG-KZIZELGASA-N 1 1 343.471 0.796 20 30 ECEDMO CC#CCN1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100301 759701841 /nfs/dbraw/zinc/70/18/41/759701841.db2.gz YGMJXUJBZLKHEG-KZIZELGASA-N 1 1 343.471 0.796 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)n1 ZINC001050106253 759716614 /nfs/dbraw/zinc/71/66/14/759716614.db2.gz NYVASECSLZRRIT-VHDGCEQUSA-N 1 1 344.419 0.071 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)n1 ZINC001050106253 759716622 /nfs/dbraw/zinc/71/66/22/759716622.db2.gz NYVASECSLZRRIT-VHDGCEQUSA-N 1 1 344.419 0.071 20 30 ECEDMO Cc1nc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)ccc1C#N ZINC001050107185 759717553 /nfs/dbraw/zinc/71/75/53/759717553.db2.gz ZNZHMJWFHCKGJP-VNQPRFMTSA-N 1 1 343.431 0.676 20 30 ECEDMO Cc1nc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)ccc1C#N ZINC001050107185 759717555 /nfs/dbraw/zinc/71/75/55/759717555.db2.gz ZNZHMJWFHCKGJP-VNQPRFMTSA-N 1 1 343.431 0.676 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3ccn[nH]3)C2)CC1 ZINC001012334946 759741054 /nfs/dbraw/zinc/74/10/54/759741054.db2.gz SMTCQLHGQJVEMO-HIFRSBDPSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CCN1C[C@@H]2CCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001050163985 759836925 /nfs/dbraw/zinc/83/69/25/759836925.db2.gz VOZNLGBLVBVDJV-DOTOQJQBSA-N 1 1 329.448 0.614 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)C3CC(=O)NC(=O)C3)cc2C1 ZINC001054286143 767895897 /nfs/dbraw/zinc/89/58/97/767895897.db2.gz VGQZTSJCAUMNIE-UHFFFAOYSA-N 1 1 339.395 0.695 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(C1)C[C@@H](NC(C)=O)c1ccccc1O2 ZINC001111529200 759857426 /nfs/dbraw/zinc/85/74/26/759857426.db2.gz GLRCJCHTRWUNOD-APWZRJJASA-N 1 1 341.411 0.840 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@]2(C1)C[C@@H](NC(C)=O)c1ccccc1O2 ZINC001111529200 759857433 /nfs/dbraw/zinc/85/74/33/759857433.db2.gz GLRCJCHTRWUNOD-APWZRJJASA-N 1 1 341.411 0.840 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 ZINC001050178100 759873070 /nfs/dbraw/zinc/87/30/70/759873070.db2.gz ZGOGUGDMLXVLKM-UONOGXRCSA-N 1 1 346.431 0.263 20 30 ECEDMO COCC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccnc1 ZINC001099556290 759873063 /nfs/dbraw/zinc/87/30/63/759873063.db2.gz IKVXJWQXAPHHCR-MHORFTMASA-N 1 1 342.443 0.702 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@@H]2C1 ZINC001050182815 759888870 /nfs/dbraw/zinc/88/88/70/759888870.db2.gz DHGKBLDBNLGMFD-WDEREUQCSA-N 1 1 334.376 0.619 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@H](CC)C(N)=O)C[C@H]32)cn1 ZINC001050185489 759897047 /nfs/dbraw/zinc/89/70/47/759897047.db2.gz DUXUXVLRLUBYCZ-USXIJHARSA-N 1 1 340.427 0.863 20 30 ECEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054291734 767900025 /nfs/dbraw/zinc/90/00/25/767900025.db2.gz DVKZINNXVFIUFU-OAHLLOKOSA-N 1 1 335.429 0.496 20 30 ECEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054291734 767900031 /nfs/dbraw/zinc/90/00/31/767900031.db2.gz DVKZINNXVFIUFU-OAHLLOKOSA-N 1 1 335.429 0.496 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nncn4C3)[C@@H]2C1 ZINC001050208650 759943600 /nfs/dbraw/zinc/94/36/00/759943600.db2.gz UTNFEZJZDGZOQS-HRCADAONSA-N 1 1 327.432 0.787 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)C[C@@H](NC(=O)CC(N)=O)c1ccccc1O2 ZINC001111529335 759980847 /nfs/dbraw/zinc/98/08/47/759980847.db2.gz IPZFDCFECKJVBK-BEFAXECRSA-N 1 1 341.411 0.970 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccccn2)C1=O ZINC001032248512 760038070 /nfs/dbraw/zinc/03/80/70/760038070.db2.gz IAGGWELUYLKQDQ-OFQRWUPVSA-N 1 1 326.400 0.767 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccccn2)C1=O ZINC001032248512 760038082 /nfs/dbraw/zinc/03/80/82/760038082.db2.gz IAGGWELUYLKQDQ-OFQRWUPVSA-N 1 1 326.400 0.767 20 30 ECEDMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C ZINC000995704880 760444096 /nfs/dbraw/zinc/44/40/96/760444096.db2.gz HUGRAPKSKRDTRO-GFCCVEGCSA-N 1 1 328.380 0.050 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNc2ccnc(C#N)n2)[C@H](C)C1 ZINC001054400704 767959945 /nfs/dbraw/zinc/95/99/45/767959945.db2.gz CBAGTLAENGXVBR-TZMCWYRMSA-N 1 1 339.403 0.482 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@@H]12 ZINC000991388397 760644621 /nfs/dbraw/zinc/64/46/21/760644621.db2.gz QJQNUWKRILVFEH-VQIMIIECSA-N 1 1 340.427 0.860 20 30 ECEDMO C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050667324 760646718 /nfs/dbraw/zinc/64/67/18/760646718.db2.gz WZYFBXKQXMZZDF-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001048559022 760717424 /nfs/dbraw/zinc/71/74/24/760717424.db2.gz PNKBSZOUEMNCLJ-RNJOBUHISA-N 1 1 326.828 0.780 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001083665168 760798928 /nfs/dbraw/zinc/79/89/28/760798928.db2.gz SQLMAUOOVDWWNV-CABCVRRESA-N 1 1 345.403 0.816 20 30 ECEDMO CN(C)c1noc(C[NH2+]C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC000991417830 760823341 /nfs/dbraw/zinc/82/33/41/760823341.db2.gz WDOQOHCPVKQBTC-UHFFFAOYSA-N 1 1 343.391 0.730 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)C1=O ZINC001048644585 760846555 /nfs/dbraw/zinc/84/65/55/760846555.db2.gz AKCKFLUFSOSPDE-BBWFWOEESA-N 1 1 340.427 0.872 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](CC)OC)C[C@H]3C2)C1=O ZINC001048715716 761009089 /nfs/dbraw/zinc/00/90/89/761009089.db2.gz OMXVMJITMHYUCE-XUWVNRHRSA-N 1 1 335.448 0.589 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C4=COCCC4)C[C@H]3C2)C1=O ZINC001048718319 761019129 /nfs/dbraw/zinc/01/91/29/761019129.db2.gz KIWXZRAKPTUVHG-IXDOHACOSA-N 1 1 345.443 0.858 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@@H]2C1 ZINC001048725012 761046545 /nfs/dbraw/zinc/04/65/45/761046545.db2.gz MQLDHFUBQJKBBY-NYTXWWLZSA-N 1 1 330.432 0.690 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001048726042 761049891 /nfs/dbraw/zinc/04/98/91/761049891.db2.gz ZJFCASCAPLKQHU-BARDWOONSA-N 1 1 339.461 0.361 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)[nH]1 ZINC001050879180 761058701 /nfs/dbraw/zinc/05/87/01/761058701.db2.gz JCPAWQJVRIVMSW-ZFWWWQNUSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H]2CCCOC2)[nH]1 ZINC001050879180 761058707 /nfs/dbraw/zinc/05/87/07/761058707.db2.gz JCPAWQJVRIVMSW-ZFWWWQNUSA-N 1 1 332.404 0.744 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C[C@H]4CCOC4)C[C@H]3C2)C1=O ZINC001048736536 761077142 /nfs/dbraw/zinc/07/71/42/761077142.db2.gz MFRTZCBYLULQPP-NCOADZHNSA-N 1 1 347.459 0.590 20 30 ECEDMO N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001050917516 761138847 /nfs/dbraw/zinc/13/88/47/761138847.db2.gz MNRAUGXKNYWDDA-RDJZCZTQSA-N 1 1 334.464 0.982 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001077446872 761171552 /nfs/dbraw/zinc/17/15/52/761171552.db2.gz XPJOYRODDRVNJA-HZSPNIEDSA-N 1 1 334.445 0.297 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1OC ZINC001212150434 761318982 /nfs/dbraw/zinc/31/89/82/761318982.db2.gz YEZSEQHZBYIBOC-HZPDHXFCSA-N 1 1 347.390 0.281 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1OC ZINC001212150434 761318993 /nfs/dbraw/zinc/31/89/93/761318993.db2.gz YEZSEQHZBYIBOC-HZPDHXFCSA-N 1 1 347.390 0.281 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1c1ccc(C#N)nn1 ZINC001051016839 761342606 /nfs/dbraw/zinc/34/26/06/761342606.db2.gz SLXKZDRPSPAHKD-GUTXKFCHSA-N 1 1 328.420 0.773 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1c1cncc(C#N)n1 ZINC001051026563 761359091 /nfs/dbraw/zinc/35/90/91/761359091.db2.gz CHKYFIPLEKXMSK-GUTXKFCHSA-N 1 1 328.420 0.916 20 30 ECEDMO C=CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051028019 761360309 /nfs/dbraw/zinc/36/03/09/761360309.db2.gz BPOISTOBZLNGOH-LPMVOBIJSA-N 1 1 335.448 0.243 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)c[nH]1 ZINC000991529532 761397112 /nfs/dbraw/zinc/39/71/12/761397112.db2.gz WTMLDUSRRZVJFU-XJKSGUPXSA-N 1 1 341.415 0.701 20 30 ECEDMO C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082027 761455766 /nfs/dbraw/zinc/45/57/66/761455766.db2.gz QIMQPBMFFOIFJZ-LSDHHAIUSA-N 1 1 345.871 0.665 20 30 ECEDMO CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001051085365 761462042 /nfs/dbraw/zinc/46/20/42/761462042.db2.gz DSTBNPPHPNHDDZ-WBVHZDCISA-N 1 1 330.432 0.594 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)n1C ZINC001054569921 768045437 /nfs/dbraw/zinc/04/54/37/768045437.db2.gz HVQFKEACXQUPSM-FZMZJTMJSA-N 1 1 341.419 0.828 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(CC)n1 ZINC001051172925 761610620 /nfs/dbraw/zinc/61/06/20/761610620.db2.gz OEMRMBDOXXFLPZ-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(CC)n1 ZINC001051172925 761610626 /nfs/dbraw/zinc/61/06/26/761610626.db2.gz OEMRMBDOXXFLPZ-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C ZINC001051195789 761665571 /nfs/dbraw/zinc/66/55/71/761665571.db2.gz DHAXVOWUHJRODG-KBMXLJTQSA-N 1 1 338.415 0.529 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C ZINC001051195789 761665573 /nfs/dbraw/zinc/66/55/73/761665573.db2.gz DHAXVOWUHJRODG-KBMXLJTQSA-N 1 1 338.415 0.529 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1 ZINC001054588710 768057198 /nfs/dbraw/zinc/05/71/98/768057198.db2.gz SHSZAXIQNLDNBE-ABAIWWIYSA-N 1 1 327.392 0.748 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(CC)n1 ZINC001106284876 768067956 /nfs/dbraw/zinc/06/79/56/768067956.db2.gz IKNBIIKWZUSGDM-LBPRGKRZSA-N 1 1 331.420 0.794 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)CSCC#N)C1 ZINC001051315291 761880031 /nfs/dbraw/zinc/88/00/31/761880031.db2.gz YSKSSFLSFXNRDM-UONOGXRCSA-N 1 1 340.493 0.938 20 30 ECEDMO C=CCn1cc(C(=O)NC2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC000991688242 762737500 /nfs/dbraw/zinc/73/75/00/762737500.db2.gz NOEKHWHOTCFMQT-BETUJISGSA-N 1 1 346.435 0.278 20 30 ECEDMO Cc1ccc(C#N)c(NCC[C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001106293053 768090570 /nfs/dbraw/zinc/09/05/70/768090570.db2.gz AEIYGUKYVISMFE-HIFRSBDPSA-N 1 1 331.420 0.899 20 30 ECEDMO Cc1ccc(C#N)c(NCC[C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001106293053 768090578 /nfs/dbraw/zinc/09/05/78/768090578.db2.gz AEIYGUKYVISMFE-HIFRSBDPSA-N 1 1 331.420 0.899 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC1=O ZINC001014613079 762902078 /nfs/dbraw/zinc/90/20/78/762902078.db2.gz AZQQDROXYKUGTL-NWDGAFQWSA-N 1 1 332.429 0.789 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1=O ZINC001014613079 762902086 /nfs/dbraw/zinc/90/20/86/762902086.db2.gz AZQQDROXYKUGTL-NWDGAFQWSA-N 1 1 332.429 0.789 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991723019 762969769 /nfs/dbraw/zinc/96/97/69/762969769.db2.gz RLEGTDGSUDOBOB-BPUTZDHNSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051803318 763001678 /nfs/dbraw/zinc/00/16/78/763001678.db2.gz LZAUNAFQSLGATF-WMLDXEAASA-N 1 1 348.451 0.927 20 30 ECEDMO O=C(C[C@@H]1CCNC1=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014709565 763023000 /nfs/dbraw/zinc/02/30/00/763023000.db2.gz BODCQRDZNYZFCS-RDJZCZTQSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(C[C@@H]1CCNC1=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014709565 763023004 /nfs/dbraw/zinc/02/30/04/763023004.db2.gz BODCQRDZNYZFCS-RDJZCZTQSA-N 1 1 343.402 0.894 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nonc3C)C2)c1 ZINC001051817029 763032787 /nfs/dbraw/zinc/03/27/87/763032787.db2.gz NVPJVAUMLCNDMT-HNNXBMFYSA-N 1 1 341.371 0.385 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cn(C)nc3C)C2)C1=O ZINC001014750689 763087914 /nfs/dbraw/zinc/08/79/14/763087914.db2.gz BBIIBFPWGSEHAC-HZPDHXFCSA-N 1 1 345.447 0.248 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cn(C)nc3C)C2)C1=O ZINC001014750689 763087920 /nfs/dbraw/zinc/08/79/20/763087920.db2.gz BBIIBFPWGSEHAC-HZPDHXFCSA-N 1 1 345.447 0.248 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 ZINC001127654193 763101103 /nfs/dbraw/zinc/10/11/03/763101103.db2.gz JNXAJWZDILDESD-UHFFFAOYSA-N 1 1 328.420 0.941 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001046780016 763115263 /nfs/dbraw/zinc/11/52/63/763115263.db2.gz ZIZHAOMRIVTXIF-DJJJIMSYSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001046780016 763115268 /nfs/dbraw/zinc/11/52/68/763115268.db2.gz ZIZHAOMRIVTXIF-DJJJIMSYSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ncc(C)cn2)C1 ZINC001014776941 763136326 /nfs/dbraw/zinc/13/63/26/763136326.db2.gz SOXMMDMCDZIWPS-CVEARBPZSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ncc(C)cn2)C1 ZINC001014776941 763136332 /nfs/dbraw/zinc/13/63/32/763136332.db2.gz SOXMMDMCDZIWPS-CVEARBPZSA-N 1 1 327.432 0.573 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001051867509 763153209 /nfs/dbraw/zinc/15/32/09/763153209.db2.gz KBNUSPJJLGUCAP-PMPSAXMXSA-N 1 1 349.435 0.113 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC000991748268 763170671 /nfs/dbraw/zinc/17/06/71/763170671.db2.gz IUEBVCPMTUMFNQ-UHFFFAOYSA-N 1 1 336.395 0.743 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCNC(=O)C1 ZINC001089850879 763172112 /nfs/dbraw/zinc/17/21/12/763172112.db2.gz QYEOBWSDMAEYDW-NXOAAHMSSA-N 1 1 346.475 0.163 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccn(C)n3)C2)C1=O ZINC001046840668 763206350 /nfs/dbraw/zinc/20/63/50/763206350.db2.gz ZZTGSWCECSGVOM-RHSMWYFYSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccn(C)n3)C2)C1=O ZINC001046840668 763206358 /nfs/dbraw/zinc/20/63/58/763206358.db2.gz ZZTGSWCECSGVOM-RHSMWYFYSA-N 1 1 331.420 0.401 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NCC2=CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001127669699 763209808 /nfs/dbraw/zinc/20/98/08/763209808.db2.gz FTNKZJANPONVQB-HNNXBMFYSA-N 1 1 340.431 0.943 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)cc1 ZINC000995056906 763234783 /nfs/dbraw/zinc/23/47/83/763234783.db2.gz SKWBJVLVGQPXEV-GDBMZVCRSA-N 1 1 338.415 0.880 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)c1 ZINC001014858444 763316752 /nfs/dbraw/zinc/31/67/52/763316752.db2.gz CCXIDRNCEGGLEK-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001031892376 763348032 /nfs/dbraw/zinc/34/80/32/763348032.db2.gz ZHWVAYYOFMNOSV-OAHLLOKOSA-N 1 1 325.368 0.135 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCC1=CCN(c2nccnc2C#N)CC1 ZINC001127684259 763364952 /nfs/dbraw/zinc/36/49/52/763364952.db2.gz LHBVVEUPSDTNLE-UHFFFAOYSA-N 1 1 328.420 0.943 20 30 ECEDMO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCc3ccccc3C#N)C2)C1 ZINC001051931892 763371175 /nfs/dbraw/zinc/37/11/75/763371175.db2.gz IFHRCCZWBXYEMX-MSOLQXFVSA-N 1 1 342.443 0.827 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCc3ccccc3C#N)C2)C1 ZINC001051931892 763371181 /nfs/dbraw/zinc/37/11/81/763371181.db2.gz IFHRCCZWBXYEMX-MSOLQXFVSA-N 1 1 342.443 0.827 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001046942826 763430505 /nfs/dbraw/zinc/43/05/05/763430505.db2.gz CILALQLDTRPLML-QWHCGFSZSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001046942826 763430513 /nfs/dbraw/zinc/43/05/13/763430513.db2.gz CILALQLDTRPLML-QWHCGFSZSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccc3nonc3c2)C1 ZINC001030464396 763458488 /nfs/dbraw/zinc/45/84/88/763458488.db2.gz RCSRCDDMEJIJRJ-KRWDZBQOSA-N 1 1 339.399 0.621 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccc3nonc3c2)C1 ZINC001030464396 763458493 /nfs/dbraw/zinc/45/84/93/763458493.db2.gz RCSRCDDMEJIJRJ-KRWDZBQOSA-N 1 1 339.399 0.621 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001040926483 763468189 /nfs/dbraw/zinc/46/81/89/763468189.db2.gz ZUCPPQWHLDZVLL-MAUKXSAKSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001046974964 763494798 /nfs/dbraw/zinc/49/47/98/763494798.db2.gz RIXOSOAWMQIMNY-AGIUHOORSA-N 1 1 327.375 0.595 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001046974964 763494800 /nfs/dbraw/zinc/49/48/00/763494800.db2.gz RIXOSOAWMQIMNY-AGIUHOORSA-N 1 1 327.375 0.595 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001046986983 763517402 /nfs/dbraw/zinc/51/74/02/763517402.db2.gz QROSVOQPGSOELV-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001046986983 763517406 /nfs/dbraw/zinc/51/74/06/763517406.db2.gz QROSVOQPGSOELV-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)n3cccn3)C2)CC1 ZINC001051990077 763527623 /nfs/dbraw/zinc/52/76/23/763527623.db2.gz LPZBDKJDMYPYQS-SJORKVTESA-N 1 1 329.448 0.686 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)n3cccn3)C2)CC1 ZINC001051990076 763527752 /nfs/dbraw/zinc/52/77/52/763527752.db2.gz LPZBDKJDMYPYQS-IRXDYDNUSA-N 1 1 329.448 0.686 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001046993684 763529462 /nfs/dbraw/zinc/52/94/62/763529462.db2.gz SXEVWVGJXKHRME-GFCCVEGCSA-N 1 1 338.358 0.824 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001046993684 763529470 /nfs/dbraw/zinc/52/94/70/763529470.db2.gz SXEVWVGJXKHRME-GFCCVEGCSA-N 1 1 338.358 0.824 20 30 ECEDMO CN(CCOCCNc1nccnc1C#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001127320357 768141337 /nfs/dbraw/zinc/14/13/37/768141337.db2.gz RMOLGXPCZRIPHA-ZDUSSCGKSA-N 1 1 332.408 0.187 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001089859979 763587734 /nfs/dbraw/zinc/58/77/34/763587734.db2.gz UCZAJLNWBCYRCO-NHIYQJMISA-N 1 1 328.416 0.931 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=NC(=O)N(C)C1 ZINC001089859979 763587741 /nfs/dbraw/zinc/58/77/41/763587741.db2.gz UCZAJLNWBCYRCO-NHIYQJMISA-N 1 1 328.416 0.931 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=NC(=O)N(C)C1 ZINC001089859979 763587745 /nfs/dbraw/zinc/58/77/45/763587745.db2.gz UCZAJLNWBCYRCO-NHIYQJMISA-N 1 1 328.416 0.931 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)C1 ZINC001106004452 763598002 /nfs/dbraw/zinc/59/80/02/763598002.db2.gz SBUCWUCMNKOJBD-HZPDHXFCSA-N 1 1 345.447 0.820 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4ccncc34)C2)CC1 ZINC001052035356 763641568 /nfs/dbraw/zinc/64/15/68/763641568.db2.gz AZZVCMTVKJQXOI-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4ccncc34)C2)CC1 ZINC001052035356 763641573 /nfs/dbraw/zinc/64/15/73/763641573.db2.gz AZZVCMTVKJQXOI-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO Cn1nccc1CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035591 763643223 /nfs/dbraw/zinc/64/32/23/763643223.db2.gz LVPHEWCVFQTWLS-MRXNPFEDSA-N 1 1 330.436 0.095 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)C1 ZINC001052036377 763649735 /nfs/dbraw/zinc/64/97/35/763649735.db2.gz NANQHOAQOZUNFI-QZTJIDSGSA-N 1 1 347.507 0.706 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CCN(CCF)CC2)C1 ZINC001052037949 763656488 /nfs/dbraw/zinc/65/64/88/763656488.db2.gz VNRQLXVODHZCSA-SJORKVTESA-N 1 1 336.455 0.272 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CCN(CCF)CC2)C1 ZINC001052037949 763656495 /nfs/dbraw/zinc/65/64/95/763656495.db2.gz VNRQLXVODHZCSA-SJORKVTESA-N 1 1 336.455 0.272 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4n3CCC4)C2)CC1 ZINC001052037983 763657691 /nfs/dbraw/zinc/65/76/91/763657691.db2.gz WEPYRUWTCSIFHD-OAHLLOKOSA-N 1 1 327.432 0.295 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3COCCN3CC)C2)CC1 ZINC001052044717 763680096 /nfs/dbraw/zinc/68/00/96/763680096.db2.gz KIOCUHZRMDGKEC-IAGOWNOFSA-N 1 1 336.480 0.112 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3COCCN3CC)C2)CC1 ZINC001052044717 763680104 /nfs/dbraw/zinc/68/01/04/763680104.db2.gz KIOCUHZRMDGKEC-IAGOWNOFSA-N 1 1 336.480 0.112 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(C)c3Cl)C2)CC1 ZINC001052045154 763682263 /nfs/dbraw/zinc/68/22/63/763682263.db2.gz QNWGRLPABBVZAF-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)CC1 ZINC001052045629 763683344 /nfs/dbraw/zinc/68/33/44/763683344.db2.gz VIVMJXHNQSAZNN-JKSUJKDBSA-N 1 1 342.447 0.188 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccn4nccc34)C2)CC1 ZINC001052047521 763690992 /nfs/dbraw/zinc/69/09/92/763690992.db2.gz PMWYCDJGEJLTTH-MRXNPFEDSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001052047678 763691500 /nfs/dbraw/zinc/69/15/00/763691500.db2.gz WFNCUJGCRXAUFA-GOSISDBHSA-N 1 1 344.503 0.857 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC001052048030 763693547 /nfs/dbraw/zinc/69/35/47/763693547.db2.gz JBYHROQUYSUPSO-HNNXBMFYSA-N 1 1 341.459 0.754 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCC1CC(Nc2ccnc(C#N)n2)C1 ZINC001052050679 763706972 /nfs/dbraw/zinc/70/69/72/763706972.db2.gz RURFQCSMAFCDON-RUXDESIVSA-N 1 1 328.420 0.561 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4cccnc34)C2)CC1 ZINC001052060781 763740892 /nfs/dbraw/zinc/74/08/92/763740892.db2.gz MADNRRAICYEKGD-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4cccnc34)C2)CC1 ZINC001052060781 763740897 /nfs/dbraw/zinc/74/08/97/763740897.db2.gz MADNRRAICYEKGD-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc4[nH]ncc43)C2)CC1 ZINC001052060590 763741018 /nfs/dbraw/zinc/74/10/18/763741018.db2.gz IMTMELAMLGWIFB-CQSZACIVSA-N 1 1 338.415 0.919 20 30 ECEDMO Cc1cc(=O)[nH]cc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052079537 763793778 /nfs/dbraw/zinc/79/37/78/763793778.db2.gz CODKTHFZPWGZOI-AWEZNQCLSA-N 1 1 329.404 0.451 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081615 763799497 /nfs/dbraw/zinc/79/94/97/763799497.db2.gz CUTQEHXXXZGOSI-MSOLQXFVSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081615 763799500 /nfs/dbraw/zinc/79/95/00/763799500.db2.gz CUTQEHXXXZGOSI-MSOLQXFVSA-N 1 1 332.492 0.570 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 ZINC001052083205 763804622 /nfs/dbraw/zinc/80/46/22/763804622.db2.gz MADYFQGMGXSRSW-OWCLPIDISA-N 1 1 334.464 0.293 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 ZINC001052083205 763804630 /nfs/dbraw/zinc/80/46/30/763804630.db2.gz MADYFQGMGXSRSW-OWCLPIDISA-N 1 1 334.464 0.293 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 ZINC001052085247 763811332 /nfs/dbraw/zinc/81/13/32/763811332.db2.gz BJRVECNGSSWLRK-IKGGRYGDSA-N 1 1 346.475 0.130 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2C[NH+]([C@@H]3CCN(C(C)C)C3=O)C2)c1 ZINC001031963944 763829763 /nfs/dbraw/zinc/82/97/63/763829763.db2.gz ZHHMTMPXBCONFF-QGZVFWFLSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](N3CC[NH+](CC#CC)CC3)C2)nn1 ZINC001052092955 763834670 /nfs/dbraw/zinc/83/46/70/763834670.db2.gz HTJCAWYUJRINOL-INIZCTEOSA-N 1 1 342.447 0.320 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)COC3CCOCC3)C2)CC1 ZINC001052094634 763841268 /nfs/dbraw/zinc/84/12/68/763841268.db2.gz WULDGBFTTBCHRA-QGZVFWFLSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4ccccc34)C2)CC1 ZINC001052097989 763852131 /nfs/dbraw/zinc/85/21/31/763852131.db2.gz BCEUUPXQPKJKKL-INIZCTEOSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ncccn3)C2)CC1 ZINC001052099440 763856977 /nfs/dbraw/zinc/85/69/77/763856977.db2.gz JNEJMXANQXXOFC-INIZCTEOSA-N 1 1 327.432 0.261 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(CC)nn3C)C2)CC1 ZINC001052100579 763861416 /nfs/dbraw/zinc/86/14/16/763861416.db2.gz GDAHCEPSCRKMBJ-QGZVFWFLSA-N 1 1 343.475 0.838 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@@H]3CCCOC3)C2)CC1 ZINC001052102214 763865095 /nfs/dbraw/zinc/86/50/95/763865095.db2.gz COFJRMZAIBVSGK-DLBZAZTESA-N 1 1 334.464 0.935 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(CC)nn3)C2)CC1 ZINC001052103304 763869501 /nfs/dbraw/zinc/86/95/01/763869501.db2.gz OXXBDYWJKKTLNT-HNNXBMFYSA-N 1 1 330.436 0.153 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001017596970 768171559 /nfs/dbraw/zinc/17/15/59/768171559.db2.gz PXRSQIOSFRERNK-HRCADAONSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106408 763881986 /nfs/dbraw/zinc/88/19/86/763881986.db2.gz KIDCCJXLDWHTIL-RDJZCZTQSA-N 1 1 341.459 0.366 20 30 ECEDMO CN(C(=O)C1=COCCO1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047288321 763891835 /nfs/dbraw/zinc/89/18/35/763891835.db2.gz OMMCTGWFOBKXGL-HOTGVXAUSA-N 1 1 343.383 0.450 20 30 ECEDMO CN(C(=O)C1=COCCO1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047288321 763891843 /nfs/dbraw/zinc/89/18/43/763891843.db2.gz OMMCTGWFOBKXGL-HOTGVXAUSA-N 1 1 343.383 0.450 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncccc3OC)C2)CC1 ZINC001052111882 763904895 /nfs/dbraw/zinc/90/48/95/763904895.db2.gz GIIFMLYJJOFTTB-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4cc[nH]c34)C2)CC1 ZINC001052111903 763905057 /nfs/dbraw/zinc/90/50/57/763905057.db2.gz GUYUIVWXAYJNAX-CQSZACIVSA-N 1 1 328.420 0.681 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4cc[nH]c34)C2)CC1 ZINC001052111903 763905063 /nfs/dbraw/zinc/90/50/63/763905063.db2.gz GUYUIVWXAYJNAX-CQSZACIVSA-N 1 1 328.420 0.681 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)CC1 ZINC001052117362 763927301 /nfs/dbraw/zinc/92/73/01/763927301.db2.gz LIIBXKZBTKZFRK-MRXNPFEDSA-N 1 1 331.464 0.974 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)CC1 ZINC001052117362 763927304 /nfs/dbraw/zinc/92/73/04/763927304.db2.gz LIIBXKZBTKZFRK-MRXNPFEDSA-N 1 1 331.464 0.974 20 30 ECEDMO Cc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052117223 763927417 /nfs/dbraw/zinc/92/74/17/763927417.db2.gz BWODPRBFAYICSD-QGZVFWFLSA-N 1 1 327.432 0.675 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C2)CC1 ZINC001052117597 763928964 /nfs/dbraw/zinc/92/89/64/763928964.db2.gz UYMNAROCNXSHKQ-GOSISDBHSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C2)CC1 ZINC001052117597 763928967 /nfs/dbraw/zinc/92/89/67/763928967.db2.gz UYMNAROCNXSHKQ-GOSISDBHSA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cnn(C)c3)C2)CC1 ZINC001052119157 763934929 /nfs/dbraw/zinc/93/49/29/763934929.db2.gz LGAKYHZGAMVRAH-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cnn(C)c3)C2)CC1 ZINC001052119084 763935423 /nfs/dbraw/zinc/93/54/23/763935423.db2.gz JMTORNIVGNJTHL-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C[C@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)C1CCOCC1 ZINC001052126149 763954477 /nfs/dbraw/zinc/95/44/77/763954477.db2.gz IWGWYIWWGWGPSA-RDJZCZTQSA-N 1 1 334.464 0.791 20 30 ECEDMO CN(C(=O)c1cnsn1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047312048 763958313 /nfs/dbraw/zinc/95/83/13/763958313.db2.gz KHBHODUDXSYLOJ-GJZGRUSLSA-N 1 1 343.412 0.727 20 30 ECEDMO CN(C(=O)c1cnsn1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047312048 763958320 /nfs/dbraw/zinc/95/83/20/763958320.db2.gz KHBHODUDXSYLOJ-GJZGRUSLSA-N 1 1 343.412 0.727 20 30 ECEDMO Cc1nc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c[nH]1 ZINC001047326816 764005854 /nfs/dbraw/zinc/00/58/54/764005854.db2.gz XMNLBGUXAAEQSK-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1nc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c[nH]1 ZINC001047326816 764005859 /nfs/dbraw/zinc/00/58/59/764005859.db2.gz XMNLBGUXAAEQSK-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001212187464 764021408 /nfs/dbraw/zinc/02/14/08/764021408.db2.gz ULHLITAORWIBRG-HUUCEWRRSA-N 1 1 338.452 0.313 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001212187464 764021414 /nfs/dbraw/zinc/02/14/14/764021414.db2.gz ULHLITAORWIBRG-HUUCEWRRSA-N 1 1 338.452 0.313 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3ncn(C)c3n2)[C@@H](O)C1 ZINC001083776740 764066963 /nfs/dbraw/zinc/06/69/63/764066963.db2.gz MQYXBONPDAQAQS-CABCVRRESA-N 1 1 329.404 0.709 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001047353894 764089492 /nfs/dbraw/zinc/08/94/92/764089492.db2.gz OMNXIEIUKCLNGG-RYUDHWBXSA-N 1 1 330.310 0.956 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001047353894 764089498 /nfs/dbraw/zinc/08/94/98/764089498.db2.gz OMNXIEIUKCLNGG-RYUDHWBXSA-N 1 1 330.310 0.956 20 30 ECEDMO Cc1ncsc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353828 764090558 /nfs/dbraw/zinc/09/05/58/764090558.db2.gz NTPQKOYBIMXROD-KBPBESRZSA-N 1 1 345.428 0.969 20 30 ECEDMO Cc1ncsc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353828 764090565 /nfs/dbraw/zinc/09/05/65/764090565.db2.gz NTPQKOYBIMXROD-KBPBESRZSA-N 1 1 345.428 0.969 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(c3cncc(C#N)n3)C[C@@]2(C)C1 ZINC001052234714 764105965 /nfs/dbraw/zinc/10/59/65/764105965.db2.gz VYNUPYGYVQOJQN-XUWXXGDYSA-N 1 1 340.431 0.727 20 30 ECEDMO C[C@@H]1CN(C(=O)C2CC2)CC2(CC[NH+](CC(=O)NCC#N)CC2)O1 ZINC001111532144 764165466 /nfs/dbraw/zinc/16/54/66/764165466.db2.gz QTLRZEHYXIOZDH-CYBMUJFWSA-N 1 1 334.420 0.118 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001047380402 764169557 /nfs/dbraw/zinc/16/95/57/764169557.db2.gz MVBUZORJNJXPGG-PVAVHDDUSA-N 1 1 346.402 0.904 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001047380402 764169562 /nfs/dbraw/zinc/16/95/62/764169562.db2.gz MVBUZORJNJXPGG-PVAVHDDUSA-N 1 1 346.402 0.904 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OC(C)C)cn2)C1 ZINC001047381337 764171490 /nfs/dbraw/zinc/17/14/90/764171490.db2.gz JKCMHGACPOOTPE-GJZGRUSLSA-N 1 1 332.404 0.404 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001106057590 764182916 /nfs/dbraw/zinc/18/29/16/764182916.db2.gz CVQZYKRZHVGKRP-GJZGRUSLSA-N 1 1 331.420 0.635 20 30 ECEDMO CCN(CCNc1nccnc1C#N)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001106975832 764184319 /nfs/dbraw/zinc/18/43/19/764184319.db2.gz HMUCKEFFXJSKRD-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001106976145 764186567 /nfs/dbraw/zinc/18/65/67/764186567.db2.gz VBEZCHUAJMGMEW-GJZGRUSLSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289874 764200890 /nfs/dbraw/zinc/20/08/90/764200890.db2.gz GFJIVMFEKNUOEL-GXTWGEPZSA-N 1 1 331.420 0.947 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001047397093 764208847 /nfs/dbraw/zinc/20/88/47/764208847.db2.gz MCRFBMYHTYOMFN-PMPSAXMXSA-N 1 1 344.411 0.743 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001047397493 764210443 /nfs/dbraw/zinc/21/04/43/764210443.db2.gz USCJTMGWSOQNPL-KBPBESRZSA-N 1 1 342.399 0.712 20 30 ECEDMO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001017617126 768198380 /nfs/dbraw/zinc/19/83/80/768198380.db2.gz LYBISLQLDWPRNG-IXDOHACOSA-N 1 1 332.448 0.829 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001047405646 764239022 /nfs/dbraw/zinc/23/90/22/764239022.db2.gz OKXAPVYWAVWZPN-GJZGRUSLSA-N 1 1 325.372 0.222 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001047405646 764239027 /nfs/dbraw/zinc/23/90/27/764239027.db2.gz OKXAPVYWAVWZPN-GJZGRUSLSA-N 1 1 325.372 0.222 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)c[nH]1 ZINC001052316378 764239149 /nfs/dbraw/zinc/23/91/49/764239149.db2.gz XFUPCCUXSYHCPJ-CYBMUJFWSA-N 1 1 329.404 0.749 20 30 ECEDMO C=CCOCC(=O)NCC[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC001124778351 764244602 /nfs/dbraw/zinc/24/46/02/764244602.db2.gz NSURQMKXROMYSS-CYBMUJFWSA-N 1 1 330.392 0.632 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001032041361 764251764 /nfs/dbraw/zinc/25/17/64/764251764.db2.gz KUXWRCUQDSEKPK-KBMXLJTQSA-N 1 1 337.464 0.882 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc3nccn3c2C)C1 ZINC001047412782 764264623 /nfs/dbraw/zinc/26/46/23/764264623.db2.gz HNVJTGBJLDAXJJ-STQMWFEESA-N 1 1 332.429 0.845 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc3nccn3c2C)C1 ZINC001047412782 764264627 /nfs/dbraw/zinc/26/46/27/764264627.db2.gz HNVJTGBJLDAXJJ-STQMWFEESA-N 1 1 332.429 0.845 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001047414070 764268573 /nfs/dbraw/zinc/26/85/73/764268573.db2.gz FYVDMOCZHWXXHB-PMPSAXMXSA-N 1 1 345.447 0.525 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)C1 ZINC001106069775 764307733 /nfs/dbraw/zinc/30/77/33/764307733.db2.gz ZIQPTHUOACPNLC-YOEHRIQHSA-N 1 1 345.447 0.964 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001047433706 764332634 /nfs/dbraw/zinc/33/26/34/764332634.db2.gz JFDIWDOXIFLORF-GJZGRUSLSA-N 1 1 341.415 0.487 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 ZINC001098785222 768206768 /nfs/dbraw/zinc/20/67/68/768206768.db2.gz QCJRDTHFHCUJDB-HOTGVXAUSA-N 1 1 345.451 0.539 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001047439538 764350208 /nfs/dbraw/zinc/35/02/08/764350208.db2.gz KHVDEVBDSOCGJC-IRXDYDNUSA-N 1 1 326.400 0.783 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnc(C)nc3C)C2)C1=O ZINC001032059346 764365822 /nfs/dbraw/zinc/36/58/22/764365822.db2.gz YQDIHXJKRCYLFT-MRXNPFEDSA-N 1 1 343.431 0.542 20 30 ECEDMO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001052378977 764366362 /nfs/dbraw/zinc/36/63/62/764366362.db2.gz LDEUENHSBDZMDH-KRWDZBQOSA-N 1 1 338.415 0.696 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001047460316 764413119 /nfs/dbraw/zinc/41/31/19/764413119.db2.gz FXUOCQXJFIXHEJ-IRXDYDNUSA-N 1 1 330.432 0.289 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nc3C)[C@@H]2C)nn1 ZINC001088907460 764419654 /nfs/dbraw/zinc/41/96/54/764419654.db2.gz UXRHAKMRZDESPW-HIFRSBDPSA-N 1 1 343.435 0.899 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nc3C)[C@@H]2C)nn1 ZINC001088907460 764419658 /nfs/dbraw/zinc/41/96/58/764419658.db2.gz UXRHAKMRZDESPW-HIFRSBDPSA-N 1 1 343.435 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(CC)nn3C)C2)C1=O ZINC001032071123 764454960 /nfs/dbraw/zinc/45/49/60/764454960.db2.gz OYBYWNOQOSDGFF-OAHLLOKOSA-N 1 1 345.447 0.431 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001047477528 764457560 /nfs/dbraw/zinc/45/75/60/764457560.db2.gz CGUVOSROKVMVEH-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001047477528 764457567 /nfs/dbraw/zinc/45/75/67/764457567.db2.gz CGUVOSROKVMVEH-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO CN(C[C@H](O)CNc1ncc(C#N)cc1F)C(=O)[C@H]1CCCC[N@H+]1C ZINC001124866118 764459767 /nfs/dbraw/zinc/45/97/67/764459767.db2.gz ULCZQVGLSBDRFV-UKRRQHHQSA-N 1 1 349.410 0.808 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c(C)csc3n2)C1 ZINC001047479856 764467422 /nfs/dbraw/zinc/46/74/22/764467422.db2.gz BIYOURKRUXLJQL-GJZGRUSLSA-N 1 1 346.456 0.774 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001052429924 764479868 /nfs/dbraw/zinc/47/98/68/764479868.db2.gz OZKGKNPDDSRFAW-AWEZNQCLSA-N 1 1 329.466 0.569 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001047501826 764529515 /nfs/dbraw/zinc/52/95/15/764529515.db2.gz XADJFYOZAUHUNK-JQFCIGGWSA-N 1 1 332.448 0.605 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nccn2C)CC1 ZINC001052456610 764538230 /nfs/dbraw/zinc/53/82/30/764538230.db2.gz IEPQPHUZJJEAKW-SJORKVTESA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nccn2C)CC1 ZINC001052456610 764538240 /nfs/dbraw/zinc/53/82/40/764538240.db2.gz IEPQPHUZJJEAKW-SJORKVTESA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cncn2C)CC1 ZINC001052457866 764542764 /nfs/dbraw/zinc/54/27/64/764542764.db2.gz WHIOUQLYMRFGKL-AEFFLSMTSA-N 1 1 343.475 0.988 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083780858 764544069 /nfs/dbraw/zinc/54/40/69/764544069.db2.gz MXGGOWKZBDGYOW-QRQLOZEOSA-N 1 1 341.455 0.541 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cncn3)c2)C1 ZINC001047521464 764581506 /nfs/dbraw/zinc/58/15/06/764581506.db2.gz UEZRRFOJFMNNPA-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001052476982 764585900 /nfs/dbraw/zinc/58/59/00/764585900.db2.gz DBMSPMZOLFAROS-IAGOWNOFSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cccn3)n2)C1 ZINC001047524159 764587363 /nfs/dbraw/zinc/58/73/63/764587363.db2.gz DBMIBRZJIUFANP-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089874698 764594354 /nfs/dbraw/zinc/59/43/54/764594354.db2.gz IRLQNUKSCAPRDV-XZDPQHSOSA-N 1 1 343.427 0.231 20 30 ECEDMO C[C@H](CCNc1cncc(C#N)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001106382505 768228447 /nfs/dbraw/zinc/22/84/47/768228447.db2.gz CLWYWPRDYPMMRX-CYBMUJFWSA-N 1 1 332.408 0.377 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@@H](C)F)C[C@@H]2O)nn1 ZINC001047557605 764688083 /nfs/dbraw/zinc/68/80/83/764688083.db2.gz CXLADDOYCMVJBW-SNPRPXQTSA-N 1 1 339.415 0.719 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cncn3C)[C@H]2C)C1=O ZINC001088981934 764690098 /nfs/dbraw/zinc/69/00/98/764690098.db2.gz VALGFUVVQPGHRF-KBMXLJTQSA-N 1 1 345.447 0.329 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001047562385 764697600 /nfs/dbraw/zinc/69/76/00/764697600.db2.gz QHMBNUSCJOFNPM-RYUDHWBXSA-N 1 1 348.432 0.621 20 30 ECEDMO CN(C(=O)c1cnn(C)n1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047563050 764699633 /nfs/dbraw/zinc/69/96/33/764699633.db2.gz CLHYIJHJCQTZHZ-HOTGVXAUSA-N 1 1 340.387 0.004 20 30 ECEDMO CN(C(=O)c1cnn(C)n1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047563050 764699635 /nfs/dbraw/zinc/69/96/35/764699635.db2.gz CLHYIJHJCQTZHZ-HOTGVXAUSA-N 1 1 340.387 0.004 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001047566716 764710052 /nfs/dbraw/zinc/71/00/52/764710052.db2.gz RQOUDLWFOZCANM-HOTGVXAUSA-N 1 1 326.400 0.322 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001047566716 764710058 /nfs/dbraw/zinc/71/00/58/764710058.db2.gz RQOUDLWFOZCANM-HOTGVXAUSA-N 1 1 326.400 0.322 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1OC ZINC001212193714 764754709 /nfs/dbraw/zinc/75/47/09/764754709.db2.gz JPTQRTZEUHRXLE-BFYDXBDKSA-N 1 1 328.453 0.802 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000944008015 764765223 /nfs/dbraw/zinc/76/52/23/764765223.db2.gz TVTUOXXPVPBVOQ-APWZRJJASA-N 1 1 329.444 0.993 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H]1C ZINC001089010821 764766499 /nfs/dbraw/zinc/76/64/99/764766499.db2.gz WBONDCWDLQRXDK-YPMHNXCESA-N 1 1 325.372 0.946 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c3ccccc3nn2C)C1 ZINC001047587579 764788555 /nfs/dbraw/zinc/78/85/55/764788555.db2.gz IPMJUNMXKRZDBQ-HOTGVXAUSA-N 1 1 326.400 0.714 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c3ccccc3nn2C)C1 ZINC001047587579 764788563 /nfs/dbraw/zinc/78/85/63/764788563.db2.gz IPMJUNMXKRZDBQ-HOTGVXAUSA-N 1 1 326.400 0.714 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001047590185 764799291 /nfs/dbraw/zinc/79/92/91/764799291.db2.gz ZUDDCYPHVFPCOI-XYJFISCASA-N 1 1 337.464 0.715 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC001052595522 764821218 /nfs/dbraw/zinc/82/12/18/764821218.db2.gz VSYJGODYOBQZRR-CABCVRRESA-N 1 1 343.418 0.946 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001047597565 764827524 /nfs/dbraw/zinc/82/75/24/764827524.db2.gz UXLDRSDJHPDRPE-HOTGVXAUSA-N 1 1 344.415 0.578 20 30 ECEDMO COc1ccnc(C(=N)Nc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC001168424481 764830377 /nfs/dbraw/zinc/83/03/77/764830377.db2.gz JTGPOSDGDWEUKQ-UHFFFAOYSA-N 1 1 328.380 0.064 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1C ZINC001089035774 764847503 /nfs/dbraw/zinc/84/75/03/764847503.db2.gz VKEWOCQDJHYPHG-KOLCDFICSA-N 1 1 326.784 0.431 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1C ZINC001089035774 764847508 /nfs/dbraw/zinc/84/75/08/764847508.db2.gz VKEWOCQDJHYPHG-KOLCDFICSA-N 1 1 326.784 0.431 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2Cc3ccccc3C2=O)C1 ZINC001047602103 764848983 /nfs/dbraw/zinc/84/89/83/764848983.db2.gz ZNZAXBHMEUNCLZ-HOTGVXAUSA-N 1 1 329.400 0.332 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccccc3O2)C1 ZINC001047618730 764897882 /nfs/dbraw/zinc/89/78/82/764897882.db2.gz LYTGDHRQEIBKQO-GRDNDAEWSA-N 1 1 332.400 0.906 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001015530944 764898616 /nfs/dbraw/zinc/89/86/16/764898616.db2.gz OARFXCSNCBVNQU-CVEARBPZSA-N 1 1 326.400 0.870 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccccc3O2)C1 ZINC001047618822 764898960 /nfs/dbraw/zinc/89/89/60/764898960.db2.gz QHTVOWJXNYPVEX-GRDNDAEWSA-N 1 1 330.384 0.353 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccccc3O2)C1 ZINC001047618822 764898966 /nfs/dbraw/zinc/89/89/66/764898966.db2.gz QHTVOWJXNYPVEX-GRDNDAEWSA-N 1 1 330.384 0.353 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)nn1 ZINC001098773832 764903744 /nfs/dbraw/zinc/90/37/44/764903744.db2.gz JBNKYIMYMIXJKD-KRWDZBQOSA-N 1 1 346.479 0.896 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001047623394 764909417 /nfs/dbraw/zinc/90/94/17/764909417.db2.gz JDIBQXOAVDXVSS-HOTGVXAUSA-N 1 1 342.403 0.356 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)CC1 ZINC001052659997 764951604 /nfs/dbraw/zinc/95/16/04/764951604.db2.gz SFTPDNBMYYKHLX-HUUCEWRRSA-N 1 1 329.448 0.914 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](NC(=O)C(N)=O)CC2)c1 ZINC001052671167 764970999 /nfs/dbraw/zinc/97/09/99/764970999.db2.gz BGIDRRNJLOUVHM-CQSZACIVSA-N 1 1 342.399 0.062 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)C(N)=O)CC2)c1 ZINC001052671167 764971004 /nfs/dbraw/zinc/97/10/04/764971004.db2.gz BGIDRRNJLOUVHM-CQSZACIVSA-N 1 1 342.399 0.062 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)CC2)C1 ZINC001052692405 764996588 /nfs/dbraw/zinc/99/65/88/764996588.db2.gz BLLWUYBNTKZDCY-CQSZACIVSA-N 1 1 348.447 0.865 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000991981621 765047033 /nfs/dbraw/zinc/04/70/33/765047033.db2.gz RRSJLHCZGAHESZ-ABIUDSBCSA-N 1 1 329.404 0.605 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001052730609 765050647 /nfs/dbraw/zinc/05/06/47/765050647.db2.gz BETCNDZKRCRBDV-HUUCEWRRSA-N 1 1 330.436 0.620 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)CC2)nn1 ZINC001052777134 765101738 /nfs/dbraw/zinc/10/17/38/765101738.db2.gz BBQLXLIHKSNPLS-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)CC2)nn1 ZINC001052777148 765102067 /nfs/dbraw/zinc/10/20/67/765102067.db2.gz BCEHHPYKGRJYGU-UKRRQHHQSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC)CC2)nn1 ZINC001052778856 765105110 /nfs/dbraw/zinc/10/51/10/765105110.db2.gz SQDFFCZTBDWNRJ-ZDUSSCGKSA-N 1 1 334.424 0.185 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@H](C)C2)n1 ZINC001052821440 765181125 /nfs/dbraw/zinc/18/11/25/765181125.db2.gz NGCMZRZDMQJBGS-XPKDYRNWSA-N 1 1 342.447 0.939 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3ncc[nH]3)CC2)C1=O ZINC001052823720 765184722 /nfs/dbraw/zinc/18/47/22/765184722.db2.gz MPYCPGUUHWIOCJ-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ncc[nH]3)CC2)C1=O ZINC001052823719 765184836 /nfs/dbraw/zinc/18/48/36/765184836.db2.gz MPYCPGUUHWIOCJ-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001052830679 765193278 /nfs/dbraw/zinc/19/32/78/765193278.db2.gz IPXVLBCOYVUKNV-LSDHHAIUSA-N 1 1 331.420 0.532 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC001052849170 765223073 /nfs/dbraw/zinc/22/30/73/765223073.db2.gz NQSGQSJRNQCQDB-HNNXBMFYSA-N 1 1 347.463 0.928 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCn2nc(C)nc2C)C1 ZINC001015722218 765238955 /nfs/dbraw/zinc/23/89/55/765238955.db2.gz WSJRLMKDDOTJDT-OAGGEKHMSA-N 1 1 333.436 0.677 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCN3CCCC3=O)C2)nn1 ZINC001098785622 768275934 /nfs/dbraw/zinc/27/59/34/768275934.db2.gz WDDLPROVRXKDAE-OAHLLOKOSA-N 1 1 346.435 0.340 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)nc1 ZINC001052874455 765274723 /nfs/dbraw/zinc/27/47/23/765274723.db2.gz HEWUGEXBPULTNC-INIZCTEOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)cn1 ZINC001052879528 765287619 /nfs/dbraw/zinc/28/76/19/765287619.db2.gz ZKJNNYJXPNTKBW-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001017676184 768282346 /nfs/dbraw/zinc/28/23/46/768282346.db2.gz MMWDQYDIDJOYKP-MCIONIFRSA-N 1 1 329.404 0.245 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)CN3CCCC3)CC2)C1=O ZINC001052938500 765388236 /nfs/dbraw/zinc/38/82/36/765388236.db2.gz YRANJIWYHAEGBS-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)CN3CCCC3)CC2)C1=O ZINC001052938500 765388248 /nfs/dbraw/zinc/38/82/48/765388248.db2.gz YRANJIWYHAEGBS-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001052946556 765402196 /nfs/dbraw/zinc/40/21/96/765402196.db2.gz VODKWTKOROQMSS-RYUDHWBXSA-N 1 1 335.857 0.401 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001052978248 765445508 /nfs/dbraw/zinc/44/55/08/765445508.db2.gz WPLPSYZQNSIQDM-NEPJUHHUSA-N 1 1 327.812 0.762 20 30 ECEDMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)[nH]n1 ZINC001052986218 765462421 /nfs/dbraw/zinc/46/24/21/765462421.db2.gz JGDPPGIWWAAVRI-IYBDPMFKSA-N 1 1 342.447 0.995 20 30 ECEDMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(CC#N)CC2)n[nH]1 ZINC001052986218 765462423 /nfs/dbraw/zinc/46/24/23/765462423.db2.gz JGDPPGIWWAAVRI-IYBDPMFKSA-N 1 1 342.447 0.995 20 30 ECEDMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)n[nH]1 ZINC001052986218 765462428 /nfs/dbraw/zinc/46/24/28/765462428.db2.gz JGDPPGIWWAAVRI-IYBDPMFKSA-N 1 1 342.447 0.995 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnc(C)nc3C)C2)C1=O ZINC001015868995 765468874 /nfs/dbraw/zinc/46/88/74/765468874.db2.gz FWZSGQBFTVXXJJ-GDBMZVCRSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnc(C)nc3C)C2)C1=O ZINC001015868995 765468878 /nfs/dbraw/zinc/46/88/78/765468878.db2.gz FWZSGQBFTVXXJJ-GDBMZVCRSA-N 1 1 343.431 0.684 20 30 ECEDMO Cc1nc[nH]c1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052994464 765474082 /nfs/dbraw/zinc/47/40/82/765474082.db2.gz NNMOURMGRGOBRK-IYBDPMFKSA-N 1 1 342.447 0.995 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[N@H+](CC(N)=O)C3)C2)c[nH]1 ZINC001053013492 765485873 /nfs/dbraw/zinc/48/58/73/765485873.db2.gz QZXIJBYTWLEOEL-UONOGXRCSA-N 1 1 343.431 0.936 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC001053029927 765502649 /nfs/dbraw/zinc/50/26/49/765502649.db2.gz YLIHQZLTJLBRQN-CVEARBPZSA-N 1 1 342.443 0.978 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001053044623 765522573 /nfs/dbraw/zinc/52/25/73/765522573.db2.gz QUNHOHQCQBJCLN-CABCVRRESA-N 1 1 345.443 0.623 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000992112588 765523015 /nfs/dbraw/zinc/52/30/15/765523015.db2.gz GBTUVYSXGRRZNF-MBHSVXNSSA-N 1 1 329.404 0.463 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCOCC2=O)C1 ZINC001053087416 765562259 /nfs/dbraw/zinc/56/22/59/765562259.db2.gz KSJLWKLSQSTOKN-SJORKVTESA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCn2cnnn2)C1 ZINC001053102997 765580757 /nfs/dbraw/zinc/58/07/57/765580757.db2.gz YRQHGBGISRPKDE-HZPDHXFCSA-N 1 1 330.436 0.790 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001106093584 765600854 /nfs/dbraw/zinc/60/08/54/765600854.db2.gz YVJGDMAGRVISAI-YDHLFZDLSA-N 1 1 346.435 0.276 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 ZINC001077496326 765657506 /nfs/dbraw/zinc/65/75/06/765657506.db2.gz RDWSCUJWQRCSMC-HZPDHXFCSA-N 1 1 331.416 0.456 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]c(CC)n2)c1 ZINC001106100069 765705908 /nfs/dbraw/zinc/70/59/08/765705908.db2.gz JTLRWDCBAGENIS-HNNXBMFYSA-N 1 1 339.399 0.927 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001016005676 765706070 /nfs/dbraw/zinc/70/60/70/765706070.db2.gz YQVBRABWLQBIAZ-UKRRQHHQSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001016005676 765706075 /nfs/dbraw/zinc/70/60/75/765706075.db2.gz YQVBRABWLQBIAZ-UKRRQHHQSA-N 1 1 331.420 0.494 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)[C@@H](O)C1 ZINC001083729642 768317861 /nfs/dbraw/zinc/31/78/61/768317861.db2.gz XBPJAOHBTOBNJF-XQQFMLRXSA-N 1 1 333.354 0.055 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)[C@@H](O)C1 ZINC001083729642 768317870 /nfs/dbraw/zinc/31/78/70/768317870.db2.gz XBPJAOHBTOBNJF-XQQFMLRXSA-N 1 1 333.354 0.055 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001106105440 765762819 /nfs/dbraw/zinc/76/28/19/765762819.db2.gz UGPIHBAVMLTKQQ-TZMCWYRMSA-N 1 1 346.435 0.141 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001016115609 765801158 /nfs/dbraw/zinc/80/11/58/765801158.db2.gz ZJFUWMKQPKBRJR-IAGOWNOFSA-N 1 1 325.412 0.680 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001016115609 765801160 /nfs/dbraw/zinc/80/11/60/765801160.db2.gz ZJFUWMKQPKBRJR-IAGOWNOFSA-N 1 1 325.412 0.680 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C2)s1 ZINC001016206965 765907067 /nfs/dbraw/zinc/90/70/67/765907067.db2.gz BJVSSNVHISJBCF-LLVKDONJSA-N 1 1 346.412 0.459 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C2)s1 ZINC001016206965 765907071 /nfs/dbraw/zinc/90/70/71/765907071.db2.gz BJVSSNVHISJBCF-LLVKDONJSA-N 1 1 346.412 0.459 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)C2=COCCO2)C1 ZINC001016214041 765917210 /nfs/dbraw/zinc/91/72/10/765917210.db2.gz QYOAPNKGSSYFQY-NRXISQOPSA-N 1 1 347.415 0.078 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)C2=COCCO2)C1 ZINC001016214041 765917212 /nfs/dbraw/zinc/91/72/12/765917212.db2.gz QYOAPNKGSSYFQY-NRXISQOPSA-N 1 1 347.415 0.078 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3c(C)noc3C)C2)C1=O ZINC001016236382 765956239 /nfs/dbraw/zinc/95/62/39/765956239.db2.gz ZSZFRCAQYVMSGN-ZBFHGGJFSA-N 1 1 346.431 0.811 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3c(C)noc3C)C2)C1=O ZINC001016236382 765956242 /nfs/dbraw/zinc/95/62/42/765956242.db2.gz ZSZFRCAQYVMSGN-ZBFHGGJFSA-N 1 1 346.431 0.811 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001030839846 765960795 /nfs/dbraw/zinc/96/07/95/765960795.db2.gz SKWUMAYJEPSUQV-SFHVURJKSA-N 1 1 342.443 0.968 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001030839846 765960796 /nfs/dbraw/zinc/96/07/96/765960796.db2.gz SKWUMAYJEPSUQV-SFHVURJKSA-N 1 1 342.443 0.968 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ncc(OC)cn1)CCO2 ZINC001053336707 765996344 /nfs/dbraw/zinc/99/63/44/765996344.db2.gz JDUNPXRCZFWSST-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccc3nnnn3c1)CCO2 ZINC001053340578 766000938 /nfs/dbraw/zinc/00/09/38/766000938.db2.gz JZNZKNYTCBOYFX-UHFFFAOYSA-N 1 1 342.403 0.617 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCCS1(=O)=O ZINC001017739563 768339184 /nfs/dbraw/zinc/33/91/84/768339184.db2.gz QIUPJKLRVJBFMT-GASCZTMLSA-N 1 1 341.477 0.663 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nnnn4CC3)CCC[C@H]12 ZINC000992249697 766051161 /nfs/dbraw/zinc/05/11/61/766051161.db2.gz NAPFVTVCLCOGPP-GRDNDAEWSA-N 1 1 328.420 0.372 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CCO2 ZINC001053394849 766077242 /nfs/dbraw/zinc/07/72/42/766077242.db2.gz QMFXCHKFZAIYLO-INIZCTEOSA-N 1 1 342.443 0.690 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CCO2 ZINC001053429054 766117194 /nfs/dbraw/zinc/11/71/94/766117194.db2.gz DGPUABLVBRTNRJ-MRXNPFEDSA-N 1 1 342.443 0.690 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001053436011 766128398 /nfs/dbraw/zinc/12/83/98/766128398.db2.gz CJSVBPDUUOBFLN-LSDHHAIUSA-N 1 1 325.453 0.742 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001016371573 766195436 /nfs/dbraw/zinc/19/54/36/766195436.db2.gz JSRZIKWPCZLZMR-GRTSSRMGSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@H](CC)C(N)=O)CC3)nn1 ZINC000992300448 766198398 /nfs/dbraw/zinc/19/83/98/766198398.db2.gz FVVSBUHTNMIRDU-CPUCHLNUSA-N 1 1 346.435 0.455 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)C[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001053506311 766253286 /nfs/dbraw/zinc/25/32/86/766253286.db2.gz AITWCIWTTSADNV-AWEZNQCLSA-N 1 1 327.856 0.994 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)[C@@H](O)C1 ZINC001083688806 766263549 /nfs/dbraw/zinc/26/35/49/766263549.db2.gz LGNBRUCFBBBWHK-CVEARBPZSA-N 1 1 337.464 0.618 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016429745 766284098 /nfs/dbraw/zinc/28/40/98/766284098.db2.gz IYAPHQYHANXKIW-HUUCEWRRSA-N 1 1 340.383 0.302 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016429745 766284103 /nfs/dbraw/zinc/28/41/03/766284103.db2.gz IYAPHQYHANXKIW-HUUCEWRRSA-N 1 1 340.383 0.302 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001045782533 766363703 /nfs/dbraw/zinc/36/37/03/766363703.db2.gz HIQGFZHDXOCXKW-WMLDXEAASA-N 1 1 337.464 0.763 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cn3c(C)csc3n2)[C@@H](O)C1 ZINC001083691537 766364445 /nfs/dbraw/zinc/36/44/45/766364445.db2.gz TZAGRTJPOLOVLT-KGLIPLIRSA-N 1 1 332.429 0.431 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c(C)csc3n2)[C@@H](O)C1 ZINC001083691537 766364452 /nfs/dbraw/zinc/36/44/52/766364452.db2.gz TZAGRTJPOLOVLT-KGLIPLIRSA-N 1 1 332.429 0.431 20 30 ECEDMO CO[C@@H](C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)O2 ZINC001053587657 766380300 /nfs/dbraw/zinc/38/03/00/766380300.db2.gz HWESVDBMKXBEHS-JSGCOSHPSA-N 1 1 332.404 0.884 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250675 766410995 /nfs/dbraw/zinc/41/09/95/766410995.db2.gz FHZAWLRGKZWSQH-BRWVUGGUSA-N 1 1 338.448 0.249 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1)O2 ZINC001053604475 766414036 /nfs/dbraw/zinc/41/40/36/766414036.db2.gz HCIKTIQUHSUMAL-HZPDHXFCSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3nc[nH]c3n1)O2 ZINC001053614911 766437785 /nfs/dbraw/zinc/43/77/85/766437785.db2.gz VEFNHGVVWLETJS-CYBMUJFWSA-N 1 1 339.399 0.944 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3nccn3C1)O2 ZINC001053618641 766447226 /nfs/dbraw/zinc/44/72/26/766447226.db2.gz BVKLSJJKVRYVJT-HZPDHXFCSA-N 1 1 342.443 0.818 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(C(N)=O)c1)O2 ZINC001053619383 766449422 /nfs/dbraw/zinc/44/94/22/766449422.db2.gz QUVNHAYJAYNECB-MRXNPFEDSA-N 1 1 341.411 0.772 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@@H]12 ZINC000992387157 766450788 /nfs/dbraw/zinc/45/07/88/766450788.db2.gz ZYXUFDCDEMXVCD-FZKQIMNGSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)O2 ZINC001053637477 766490865 /nfs/dbraw/zinc/49/08/65/766490865.db2.gz AEBVFHHPDGQBMT-LUKYLMHMSA-N 1 1 348.443 0.411 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@@H](O)C1 ZINC001083694655 766506965 /nfs/dbraw/zinc/50/69/65/766506965.db2.gz KTQLUJOBRKACTF-KGLIPLIRSA-N 1 1 334.424 0.070 20 30 ECEDMO Cn1nncc1C[NH+]1CCC2(C[C@H]2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001016563259 766509360 /nfs/dbraw/zinc/50/93/60/766509360.db2.gz WEZUAYYFKYAUJM-OAHLLOKOSA-N 1 1 339.403 0.799 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001045943829 766513461 /nfs/dbraw/zinc/51/34/61/766513461.db2.gz POJHCAUWJFFVOI-QFBILLFUSA-N 1 1 346.475 0.274 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001045943766 766513607 /nfs/dbraw/zinc/51/36/07/766513607.db2.gz OMAOOIKVBHGRJS-GUYCJALGSA-N 1 1 334.420 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCN1C(=O)CCC1=O)C2 ZINC001045950824 766523407 /nfs/dbraw/zinc/52/34/07/766523407.db2.gz MPZPZRIQYGPDND-LJQANCHMSA-N 1 1 345.443 0.863 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001045953843 766524538 /nfs/dbraw/zinc/52/45/38/766524538.db2.gz KXSFVLOVPOAMFM-SFHVURJKSA-N 1 1 347.463 0.863 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001045968904 766540386 /nfs/dbraw/zinc/54/03/86/766540386.db2.gz JCJVEEFUIULNCM-KBXCAEBGSA-N 1 1 346.431 0.312 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)nc1 ZINC000992423572 766541049 /nfs/dbraw/zinc/54/10/49/766541049.db2.gz QVWOFLMYRWNWQA-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001045981953 766552235 /nfs/dbraw/zinc/55/22/35/766552235.db2.gz KDXNFJVYENXUMF-MJGOQNOKSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001045984911 766556184 /nfs/dbraw/zinc/55/61/84/766556184.db2.gz KCIYOQNWLYGGHN-GOEBONIOSA-N 1 1 339.461 0.016 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC3(C[NH+](CCCF)C3)O2)nn1 ZINC001053677333 766560232 /nfs/dbraw/zinc/56/02/32/766560232.db2.gz VYGWGESIVLDPDV-CYBMUJFWSA-N 1 1 337.399 0.787 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(CC)nn1C)O2 ZINC001053677673 766561727 /nfs/dbraw/zinc/56/17/27/766561727.db2.gz GKLYKAQUSOKGQT-OAHLLOKOSA-N 1 1 330.432 0.969 20 30 ECEDMO COCC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC001045989195 766564003 /nfs/dbraw/zinc/56/40/03/766564003.db2.gz DNLWGIZAKAQNSU-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C[C@H]1CC(=O)N[C@@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001127554342 766570374 /nfs/dbraw/zinc/57/03/74/766570374.db2.gz RWYHZLBAUCHRAP-IAQYHMDHSA-N 1 1 332.379 0.818 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc(OC)nc1)O2 ZINC001053682404 766577241 /nfs/dbraw/zinc/57/72/41/766577241.db2.gz GIIGQMZBRPQTBJ-CQSZACIVSA-N 1 1 330.388 0.472 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(CC3CC3)nn1)O2 ZINC001053684517 766581678 /nfs/dbraw/zinc/58/16/78/766581678.db2.gz QBVRGFNKTHDWIX-OAHLLOKOSA-N 1 1 343.431 0.675 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1coc(COC)n1)O2 ZINC001053685537 766583574 /nfs/dbraw/zinc/58/35/74/766583574.db2.gz SGTZRGHIACSUNO-ZDUSSCGKSA-N 1 1 333.388 0.808 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC3(C[NH+](C[C@@H](C)O)C3)O2)nc1 ZINC001053691012 766597496 /nfs/dbraw/zinc/59/74/96/766597496.db2.gz QXCFKYARURAWRG-UKRRQHHQSA-N 1 1 329.400 0.407 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC001046001018 766601552 /nfs/dbraw/zinc/60/15/52/766601552.db2.gz CETSGDQBNPFRJA-QGZVFWFLSA-N 1 1 348.491 0.794 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)CCn3cncn3)CC2)C1 ZINC001046001644 766604158 /nfs/dbraw/zinc/60/41/58/766604158.db2.gz DFDUIMBBSKBBMA-KRWDZBQOSA-N 1 1 346.479 0.853 20 30 ECEDMO Cc1ncc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046011538 766635987 /nfs/dbraw/zinc/63/59/87/766635987.db2.gz DOXGDEHRLCHFCH-DZGCQCFKSA-N 1 1 331.420 0.861 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)n(C)n3)CC2)C1 ZINC001046013118 766641247 /nfs/dbraw/zinc/64/12/47/766641247.db2.gz WVYYNTWDFZUBON-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO COC[C@@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046018327 766656913 /nfs/dbraw/zinc/65/69/13/766656913.db2.gz VTPYIRPSTNTZQO-GDBMZVCRSA-N 1 1 345.447 0.753 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)no3)CC2)C1 ZINC001046023877 766673755 /nfs/dbraw/zinc/67/37/55/766673755.db2.gz YSIDKGWTYDKWLW-CQSZACIVSA-N 1 1 332.404 0.539 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@H](OCC)C2CC2)C[C@H]1OC ZINC001212262205 766675548 /nfs/dbraw/zinc/67/55/48/766675548.db2.gz GXKOPNZBNMQKBJ-IXDOHACOSA-N 1 1 338.448 0.657 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046026671 766684095 /nfs/dbraw/zinc/68/40/95/766684095.db2.gz GPMMLKKARWECFB-CYBMUJFWSA-N 1 1 338.843 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046026671 766684098 /nfs/dbraw/zinc/68/40/98/766684098.db2.gz GPMMLKKARWECFB-CYBMUJFWSA-N 1 1 338.843 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccsc2)C1 ZINC000994749258 766691330 /nfs/dbraw/zinc/69/13/30/766691330.db2.gz AIUJUBOLLILTPE-HNNXBMFYSA-N 1 1 331.441 0.715 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccsc2)C1 ZINC000994749258 766691333 /nfs/dbraw/zinc/69/13/33/766691333.db2.gz AIUJUBOLLILTPE-HNNXBMFYSA-N 1 1 331.441 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)c2cccnc2)C1 ZINC000994749883 766692528 /nfs/dbraw/zinc/69/25/28/766692528.db2.gz FAYZWYRYUICBBS-PBHICJAKSA-N 1 1 340.427 0.610 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)c2cccnc2)C1 ZINC000994749883 766692533 /nfs/dbraw/zinc/69/25/33/766692533.db2.gz FAYZWYRYUICBBS-PBHICJAKSA-N 1 1 340.427 0.610 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCOC2)C1 ZINC000994749927 766693704 /nfs/dbraw/zinc/69/37/04/766693704.db2.gz FGXHMCCWSXTQJG-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCOC2)C1 ZINC000994749927 766693713 /nfs/dbraw/zinc/69/37/13/766693713.db2.gz FGXHMCCWSXTQJG-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2F)C1 ZINC000994750273 766694817 /nfs/dbraw/zinc/69/48/17/766694817.db2.gz HBEMTIYZYLIMJO-AWEZNQCLSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2F)C1 ZINC000994750273 766694821 /nfs/dbraw/zinc/69/48/21/766694821.db2.gz HBEMTIYZYLIMJO-AWEZNQCLSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992487613 766695310 /nfs/dbraw/zinc/69/53/10/766695310.db2.gz DNTJKEAVCAYAGR-GUYCJALGSA-N 1 1 330.388 0.236 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2c[nH]nc2C)C1 ZINC001016670562 766700738 /nfs/dbraw/zinc/70/07/38/766700738.db2.gz QJAMJXHEPZFYJJ-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2c[nH]nc2C)C1 ZINC001016670562 766700743 /nfs/dbraw/zinc/70/07/43/766700743.db2.gz QJAMJXHEPZFYJJ-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001046031442 766701398 /nfs/dbraw/zinc/70/13/98/766701398.db2.gz PCYHFMYSYNXJSY-BRWVUGGUSA-N 1 1 348.491 0.696 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3nn(C)cc3Cl)CC2)C1 ZINC001046032324 766703857 /nfs/dbraw/zinc/70/38/57/766703857.db2.gz AQCSUPPLJYCEKM-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033206 766708693 /nfs/dbraw/zinc/70/86/93/766708693.db2.gz AXABPXNAMDQBJM-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccc(C)n2)C1 ZINC000994753303 766709814 /nfs/dbraw/zinc/70/98/14/766709814.db2.gz YJUTVFHOIAEIKA-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccc(C)n2)C1 ZINC000994753303 766709818 /nfs/dbraw/zinc/70/98/18/766709818.db2.gz YJUTVFHOIAEIKA-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#C)cc2)C1 ZINC000994753490 766710939 /nfs/dbraw/zinc/71/09/39/766710939.db2.gz GXLCKIGJZGJATF-SFHVURJKSA-N 1 1 335.407 0.706 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#C)cc2)C1 ZINC000994753490 766710943 /nfs/dbraw/zinc/71/09/43/766710943.db2.gz GXLCKIGJZGJATF-SFHVURJKSA-N 1 1 335.407 0.706 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)C1 ZINC001046033852 766711292 /nfs/dbraw/zinc/71/12/92/766711292.db2.gz KMIXFYZPAXKWSE-OAHLLOKOSA-N 1 1 340.431 0.976 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC001046033834 766711361 /nfs/dbraw/zinc/71/13/61/766711361.db2.gz MFUNQTAFGKPXJM-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 ZINC001046034027 766712728 /nfs/dbraw/zinc/71/27/28/766712728.db2.gz OTVQUVUBHMDSSY-INIZCTEOSA-N 1 1 327.432 0.295 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4nccn43)CC2)C1 ZINC001046035216 766719625 /nfs/dbraw/zinc/71/96/25/766719625.db2.gz HHFUQWTTWRXYMB-IRXDYDNUSA-N 1 1 341.459 0.612 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C3(F)CCOCC3)CC2)C1 ZINC001046035556 766720829 /nfs/dbraw/zinc/72/08/29/766720829.db2.gz OYZMKLXOLNTNPU-INIZCTEOSA-N 1 1 337.439 0.747 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046035988 766723618 /nfs/dbraw/zinc/72/36/18/766723618.db2.gz XURLDOJUHKJHNW-ZWKOTPCHSA-N 1 1 347.507 0.706 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001046036202 766725137 /nfs/dbraw/zinc/72/51/37/766725137.db2.gz CNUVFHVXIRGYPE-MOPGFXCFSA-N 1 1 344.503 0.713 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncc(OC)c3C)CC2)C1 ZINC001046038057 766736247 /nfs/dbraw/zinc/73/62/47/766736247.db2.gz GNODBZZRRBNKKR-MRXNPFEDSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccncc3)CC2)C1 ZINC001046040145 766745343 /nfs/dbraw/zinc/74/53/43/766745343.db2.gz FLRZEANVJSHCRM-GOSISDBHSA-N 1 1 326.444 0.866 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2C)C1 ZINC001041999149 782576871 /nfs/dbraw/zinc/57/68/71/782576871.db2.gz SPFBUCNUWKKDRM-FRFSOERESA-N 1 1 343.431 0.615 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2C)C1 ZINC001041999149 782576879 /nfs/dbraw/zinc/57/68/79/782576879.db2.gz SPFBUCNUWKKDRM-FRFSOERESA-N 1 1 343.431 0.615 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)C1 ZINC001046041010 766749703 /nfs/dbraw/zinc/74/97/03/766749703.db2.gz NEGATEYPUSVABP-AEFFLSMTSA-N 1 1 343.475 0.850 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(N)=O)cn3C)CC2)C1 ZINC001046041625 766752329 /nfs/dbraw/zinc/75/23/29/766752329.db2.gz KVTCIDXCXPNSMR-HNNXBMFYSA-N 1 1 345.447 0.142 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2N([C@@H](C)C(N)=O)CC3)CC1 ZINC000992515637 766755272 /nfs/dbraw/zinc/75/52/72/766755272.db2.gz ZGXWTSDJSBBIKM-QOKNQOGYSA-N 1 1 346.475 0.319 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncnc4[nH]ccc43)CC2)C1 ZINC001046042556 766756546 /nfs/dbraw/zinc/75/65/46/766756546.db2.gz YAHJCLXPWQPISP-CQSZACIVSA-N 1 1 338.415 0.375 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC001046043109 766758897 /nfs/dbraw/zinc/75/88/97/766758897.db2.gz VZMHUOJYPSPIAH-HNNXBMFYSA-N 1 1 341.459 0.754 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncc3C)CC2)C1 ZINC001046044531 766767484 /nfs/dbraw/zinc/76/74/84/766767484.db2.gz YFGPSWZEVNUNEB-QGZVFWFLSA-N 1 1 331.464 0.986 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C(N)=O)nc3)CCC[C@@H]12 ZINC000992530108 766782822 /nfs/dbraw/zinc/78/28/22/766782822.db2.gz JGPZFMULKJFHRD-QAPCUYQASA-N 1 1 326.400 0.931 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001046049077 766782932 /nfs/dbraw/zinc/78/29/32/766782932.db2.gz IPGZGSVMWCZPHL-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC001046051038 766789366 /nfs/dbraw/zinc/78/93/66/766789366.db2.gz VDPILSSMJJAMDO-OAHLLOKOSA-N 1 1 347.463 0.837 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccn2nnnc12 ZINC001089643750 766796559 /nfs/dbraw/zinc/79/65/59/766796559.db2.gz AYDRJIDKAKLIIF-ZDUSSCGKSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3occc3CN(C)C)CC2)C1 ZINC001046055175 766805150 /nfs/dbraw/zinc/80/51/50/766805150.db2.gz UDLOTGTUTWGHSM-KRWDZBQOSA-N 1 1 344.459 0.807 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3occc3CN(C)C)CC2)C1 ZINC001046055175 766805161 /nfs/dbraw/zinc/80/51/61/766805161.db2.gz UDLOTGTUTWGHSM-KRWDZBQOSA-N 1 1 344.459 0.807 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046056060 766807154 /nfs/dbraw/zinc/80/71/54/766807154.db2.gz NTTHBHXFAJDNMY-APWZRJJASA-N 1 1 346.475 0.145 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046056093 766809963 /nfs/dbraw/zinc/80/99/63/766809963.db2.gz UVYIAZYKQVXXHQ-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C1CCC(C(=O)N2CCN([C@H]3CC[N@H+](CC(=O)NC)C3)CC2)CC1 ZINC001046057945 766817364 /nfs/dbraw/zinc/81/73/64/766817364.db2.gz ALKZBVLNTJOZIH-KRWDZBQOSA-N 1 1 348.491 0.697 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058638 766819482 /nfs/dbraw/zinc/81/94/82/766819482.db2.gz PQCBQIMFWWVGJF-CYBMUJFWSA-N 1 1 340.855 0.223 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058638 766819493 /nfs/dbraw/zinc/81/94/93/766819493.db2.gz PQCBQIMFWWVGJF-CYBMUJFWSA-N 1 1 340.855 0.223 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@@H]3CC[N@H+]([C@@H]4CCNC4=O)C3)CC2)C1 ZINC001046060118 766824608 /nfs/dbraw/zinc/82/46/08/766824608.db2.gz VNLGCVTXGBAUCK-HZPDHXFCSA-N 1 1 346.475 0.450 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 ZINC001046061346 766829061 /nfs/dbraw/zinc/82/90/61/766829061.db2.gz MISMXWSXROCXDO-QAPCUYQASA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 ZINC001046061581 766829796 /nfs/dbraw/zinc/82/97/96/766829796.db2.gz NYHZJBXVMXEQSX-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C(N)=O)n3)CCC[C@H]12 ZINC000992545678 766831415 /nfs/dbraw/zinc/83/14/15/766831415.db2.gz HRJUERVODNPWFA-MAUKXSAKSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)CC2)C1 ZINC001046062538 766835033 /nfs/dbraw/zinc/83/50/33/766835033.db2.gz WBXHNJCOURLATP-HZPDHXFCSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncn(C(C)(C)C)n3)CC2)C1 ZINC001046064729 766846221 /nfs/dbraw/zinc/84/62/21/766846221.db2.gz SPOAWUYUQZPDAW-HNNXBMFYSA-N 1 1 344.463 0.498 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](CCn4cncn4)[C@@H]3C2)c1 ZINC001042001270 782582374 /nfs/dbraw/zinc/58/23/74/782582374.db2.gz VFUQDPRQMMVXGZ-GDBMZVCRSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(COC)on3)CC2)C1 ZINC001046068701 766864229 /nfs/dbraw/zinc/86/42/29/766864229.db2.gz RIORUHUXENGMHL-AWEZNQCLSA-N 1 1 334.420 0.839 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cscn3)CC2)C1 ZINC001046068706 766865136 /nfs/dbraw/zinc/86/51/36/766865136.db2.gz RKMRFWYCISJUEB-MRXNPFEDSA-N 1 1 332.473 0.927 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)COC3CCOCC3)CC2)C1 ZINC001046070589 766873233 /nfs/dbraw/zinc/87/32/33/766873233.db2.gz PKTLJQUFJOPABV-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046070511 766874323 /nfs/dbraw/zinc/87/43/23/766874323.db2.gz OOMLIEOQEGDWIS-ZWKOTPCHSA-N 1 1 347.507 0.991 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)COc3cccnc3)CC2)C1 ZINC001046070733 766875026 /nfs/dbraw/zinc/87/50/26/766875026.db2.gz AUAOLBYKRCNQGD-KRWDZBQOSA-N 1 1 342.443 0.702 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3cnccc3=O)CC2)C1 ZINC001046075365 766895153 /nfs/dbraw/zinc/89/51/53/766895153.db2.gz RIZUNSKTRIOMFI-MRXNPFEDSA-N 1 1 345.447 0.038 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnn(CC)c3)CC2)C1 ZINC001046076035 766900724 /nfs/dbraw/zinc/90/07/24/766900724.db2.gz APKRMLUZDGMZLD-SFHVURJKSA-N 1 1 343.475 0.687 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CC)nn3)CC2)C1 ZINC001046075987 766901765 /nfs/dbraw/zinc/90/17/65/766901765.db2.gz ZFTBTZCMVMFLNQ-OAHLLOKOSA-N 1 1 330.436 0.153 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC001046076171 766901787 /nfs/dbraw/zinc/90/17/87/766901787.db2.gz JXKUQPKFCXMVEA-IRXDYDNUSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc4c([nH]3)CCC4)CC2)C1 ZINC001046076430 766902741 /nfs/dbraw/zinc/90/27/41/766902741.db2.gz FOHXUQBQMRRTJZ-INIZCTEOSA-N 1 1 326.444 0.969 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC001046076511 766904001 /nfs/dbraw/zinc/90/40/01/766904001.db2.gz NNTMGVIRJVAOIV-HUUCEWRRSA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)CC2)C1 ZINC001046076511 766904009 /nfs/dbraw/zinc/90/40/09/766904009.db2.gz NNTMGVIRJVAOIV-HUUCEWRRSA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)CC2)C1 ZINC001046076511 766904014 /nfs/dbraw/zinc/90/40/14/766904014.db2.gz NNTMGVIRJVAOIV-HUUCEWRRSA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)CC2)C1 ZINC001046076511 766904019 /nfs/dbraw/zinc/90/40/19/766904019.db2.gz NNTMGVIRJVAOIV-HUUCEWRRSA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)CC2)C1 ZINC001046076511 766904024 /nfs/dbraw/zinc/90/40/24/766904024.db2.gz NNTMGVIRJVAOIV-HUUCEWRRSA-N 1 1 344.463 0.314 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC001046077888 766909689 /nfs/dbraw/zinc/90/96/89/766909689.db2.gz GIQNEVFWYYXNPK-MRXNPFEDSA-N 1 1 342.443 0.241 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C(C)C)c3)CC2)C1 ZINC001046078481 766910737 /nfs/dbraw/zinc/91/07/37/766910737.db2.gz YRJRXJWZVNDYDU-QGZVFWFLSA-N 1 1 329.448 0.929 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncccc3OC)CC2)C1 ZINC001046080007 766915042 /nfs/dbraw/zinc/91/50/42/766915042.db2.gz JIUPQJUCLXERTM-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncccc3OC)CC2)C1 ZINC001046080293 766916394 /nfs/dbraw/zinc/91/63/94/766916394.db2.gz MFPKHKSIEYEEEE-OAHLLOKOSA-N 1 1 328.416 0.556 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC001046081739 766920215 /nfs/dbraw/zinc/92/02/15/766920215.db2.gz NNSQQYSLDGIXBW-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC001046081637 766920287 /nfs/dbraw/zinc/92/02/87/766920287.db2.gz NNSQQYSLDGIXBW-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046082040 766920663 /nfs/dbraw/zinc/92/06/63/766920663.db2.gz RRLBXTSFDYVWRU-MSOLQXFVSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3nccs3)CC2)C1 ZINC001046084267 766924214 /nfs/dbraw/zinc/92/42/14/766924214.db2.gz OOMKTLVNVSEMMI-HNNXBMFYSA-N 1 1 332.473 0.927 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)N3CCCC3=O)CC2)C1 ZINC001046086086 766928266 /nfs/dbraw/zinc/92/82/66/766928266.db2.gz LTZWXWIUJGKYFE-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC001046086664 766929780 /nfs/dbraw/zinc/92/97/80/766929780.db2.gz JMEQKPQCSUCQBW-RDJZCZTQSA-N 1 1 331.464 0.928 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001046124500 766954912 /nfs/dbraw/zinc/95/49/12/766954912.db2.gz IGOLGEOCCHZXNK-CXAGYDPISA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CCC1 ZINC001046126314 766958126 /nfs/dbraw/zinc/95/81/26/766958126.db2.gz DDBUKBPBDGVOGE-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC001016809180 766964845 /nfs/dbraw/zinc/96/48/45/766964845.db2.gz TXCXDABJTBUOBG-DQPZFDDXSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001078266838 782591702 /nfs/dbraw/zinc/59/17/02/782591702.db2.gz HAANVXJFQCSAMX-NUEKZKHPSA-N 1 1 327.384 0.297 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1C[NH+](Cc2oc(C)nc2C)C1 ZINC001031740494 766984347 /nfs/dbraw/zinc/98/43/47/766984347.db2.gz DFAKJEBJSRFTGC-INIZCTEOSA-N 1 1 330.432 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2noc(CCC)n2)C1 ZINC001031741461 766991460 /nfs/dbraw/zinc/99/14/60/766991460.db2.gz ZQZGNAZHMMUDSU-HNNXBMFYSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2noc(CCC)n2)C1 ZINC001031741461 766991467 /nfs/dbraw/zinc/99/14/67/766991467.db2.gz ZQZGNAZHMMUDSU-HNNXBMFYSA-N 1 1 345.447 0.668 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994850534 767004198 /nfs/dbraw/zinc/00/41/98/767004198.db2.gz OCVOJBDNPDYENU-CZUORRHYSA-N 1 1 346.431 0.334 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994850534 767004205 /nfs/dbraw/zinc/00/42/05/767004205.db2.gz OCVOJBDNPDYENU-CZUORRHYSA-N 1 1 346.431 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nnc(C)o2)C1 ZINC001031742881 767005524 /nfs/dbraw/zinc/00/55/24/767005524.db2.gz UTXVSJMLGPDXBP-DOMZBBRYSA-N 1 1 331.420 0.585 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nnc(C)o2)C1 ZINC001031742881 767005534 /nfs/dbraw/zinc/00/55/34/767005534.db2.gz UTXVSJMLGPDXBP-DOMZBBRYSA-N 1 1 331.420 0.585 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn3c(n1)COCC3)CO2 ZINC001053848068 767009286 /nfs/dbraw/zinc/00/92/86/767009286.db2.gz RKKVAZBFCZSXOG-ZDUSSCGKSA-N 1 1 332.404 0.563 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001046194510 767044182 /nfs/dbraw/zinc/04/41/82/767044182.db2.gz FZHKYNPHXWNIQD-RHSMWYFYSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001046194510 767044192 /nfs/dbraw/zinc/04/41/92/767044192.db2.gz FZHKYNPHXWNIQD-RHSMWYFYSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ocnc3C)C2)C1=O ZINC001046215368 767075830 /nfs/dbraw/zinc/07/58/30/767075830.db2.gz CHQYMLJRSCMIDJ-GUYCJALGSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ocnc3C)C2)C1=O ZINC001046215368 767075846 /nfs/dbraw/zinc/07/58/46/767075846.db2.gz CHQYMLJRSCMIDJ-GUYCJALGSA-N 1 1 332.404 0.964 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046220474 767088236 /nfs/dbraw/zinc/08/82/36/767088236.db2.gz KHXNQJRVVAGQPE-DIFFPNOSSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046220474 767088245 /nfs/dbraw/zinc/08/82/45/767088245.db2.gz KHXNQJRVVAGQPE-DIFFPNOSSA-N 1 1 329.404 0.748 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001046220681 767089420 /nfs/dbraw/zinc/08/94/20/767089420.db2.gz VOUFIBBBFTVVPG-MJGOQNOKSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001046220681 767089428 /nfs/dbraw/zinc/08/94/28/767089428.db2.gz VOUFIBBBFTVVPG-MJGOQNOKSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046223029 767090668 /nfs/dbraw/zinc/09/06/68/767090668.db2.gz GDJVDFXXRYWVMA-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046248198 767107786 /nfs/dbraw/zinc/10/77/86/767107786.db2.gz MUMLXRVJWDTKES-CRAIPNDOSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046248198 767107790 /nfs/dbraw/zinc/10/77/90/767107790.db2.gz MUMLXRVJWDTKES-CRAIPNDOSA-N 1 1 341.415 0.867 20 30 ECEDMO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001046249087 767108558 /nfs/dbraw/zinc/10/85/58/767108558.db2.gz VGFZNWQIXPWJNF-ACJLOTCBSA-N 1 1 343.431 0.997 20 30 ECEDMO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001046252870 767110796 /nfs/dbraw/zinc/11/07/96/767110796.db2.gz LIJXKWPSRUAODP-RHSMWYFYSA-N 1 1 339.403 0.860 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CCn4cncn4)[C@@H]3C2)[nH]1 ZINC001042016762 782604617 /nfs/dbraw/zinc/60/46/17/782604617.db2.gz UDSSCOJJVVFLQL-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccnn3CC)C2)C1=O ZINC001046265100 767117286 /nfs/dbraw/zinc/11/72/86/767117286.db2.gz RUORQLOAJCTFHL-QAPCUYQASA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccnn3CC)C2)C1=O ZINC001046265100 767117287 /nfs/dbraw/zinc/11/72/87/767117287.db2.gz RUORQLOAJCTFHL-QAPCUYQASA-N 1 1 345.447 0.884 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CCN(C(=O)C#CC3CC3)C1)C2 ZINC000938826122 767124652 /nfs/dbraw/zinc/12/46/52/767124652.db2.gz BNIYVWZPOSTQLZ-HOTGVXAUSA-N 1 1 340.427 0.884 20 30 ECEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC001089730795 767133994 /nfs/dbraw/zinc/13/39/94/767133994.db2.gz DJXOQEGLRYAIRO-ZDUSSCGKSA-N 1 1 343.431 0.819 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC001089730795 767133995 /nfs/dbraw/zinc/13/39/95/767133995.db2.gz DJXOQEGLRYAIRO-ZDUSSCGKSA-N 1 1 343.431 0.819 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c(C)ncn3C)C2)C1=O ZINC001031747851 767140707 /nfs/dbraw/zinc/14/07/07/767140707.db2.gz QICVHCQLSGZYTL-AWEZNQCLSA-N 1 1 331.420 0.177 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001046311923 767141050 /nfs/dbraw/zinc/14/10/50/767141050.db2.gz MMGDQJFIPUDLHB-LSDHHAIUSA-N 1 1 349.475 0.763 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(=O)[nH]n1 ZINC001089765668 767148078 /nfs/dbraw/zinc/14/80/78/767148078.db2.gz IAPJKJNVSQQNEX-FQLMCAECSA-N 1 1 326.400 0.988 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@H](OC)C1 ZINC001212291144 767166959 /nfs/dbraw/zinc/16/69/59/767166959.db2.gz DIMWOVBIGVVGSY-HUUCEWRRSA-N 1 1 336.436 0.807 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](CCn4cncn4)[C@H]3C2)c[nH]1 ZINC001042018104 782607510 /nfs/dbraw/zinc/60/75/10/782607510.db2.gz GCWBBYRSWKHNRO-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297926 767183091 /nfs/dbraw/zinc/18/30/91/767183091.db2.gz PNISZSLTZSFUPU-KLHDSHLOSA-N 1 1 325.453 0.345 20 30 ECEDMO C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297926 767183093 /nfs/dbraw/zinc/18/30/93/767183093.db2.gz PNISZSLTZSFUPU-KLHDSHLOSA-N 1 1 325.453 0.345 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C)c1C ZINC001089790505 767184307 /nfs/dbraw/zinc/18/43/07/767184307.db2.gz SDUGMACUXIRUIG-JONQDZQNSA-N 1 1 327.432 0.929 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2cc(C)ncc2C#N)CC[N@H+]1C ZINC001106142292 767185116 /nfs/dbraw/zinc/18/51/16/767185116.db2.gz NWLIYMYRMPKMRO-YQQAZPJKSA-N 1 1 345.447 0.303 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2ccn(CC)n2)[C@H](OC)C1 ZINC001212300083 767187939 /nfs/dbraw/zinc/18/79/39/767187939.db2.gz WRNJXTQJPJVKGL-HZPDHXFCSA-N 1 1 336.436 0.464 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001212316202 767207266 /nfs/dbraw/zinc/20/72/66/767207266.db2.gz LDWFADDNRFOIOH-GMTAPVOTSA-N 1 1 337.342 0.445 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001212316202 767207268 /nfs/dbraw/zinc/20/72/68/767207268.db2.gz LDWFADDNRFOIOH-GMTAPVOTSA-N 1 1 337.342 0.445 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)[C@H](OC)C1 ZINC001212316893 767208074 /nfs/dbraw/zinc/20/80/74/767208074.db2.gz ZBSPHLHFHBUOOW-CHWSQXEVSA-N 1 1 342.827 0.705 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)[C@H](OC)C1 ZINC001212316893 767208075 /nfs/dbraw/zinc/20/80/75/767208075.db2.gz ZBSPHLHFHBUOOW-CHWSQXEVSA-N 1 1 342.827 0.705 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CN=NC2=O)C1 ZINC001089794325 767215599 /nfs/dbraw/zinc/21/55/99/767215599.db2.gz DCDCARRHSXMDIZ-AJNGGQMLSA-N 1 1 331.420 0.729 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001046443526 767227428 /nfs/dbraw/zinc/22/74/28/767227428.db2.gz GMCDBPSRYRKGGA-GOSISDBHSA-N 1 1 331.416 0.712 20 30 ECEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001046446125 767230630 /nfs/dbraw/zinc/23/06/30/767230630.db2.gz NGFUXMMTJBDEOP-AWEZNQCLSA-N 1 1 325.390 0.145 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001046446125 767230631 /nfs/dbraw/zinc/23/06/31/767230631.db2.gz NGFUXMMTJBDEOP-AWEZNQCLSA-N 1 1 325.390 0.145 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(CCOC)nn1 ZINC001089808133 767234147 /nfs/dbraw/zinc/23/41/47/767234147.db2.gz GYJQNDULQIKDAM-MPTYRVRUSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1nnc(C)[nH]1 ZINC001089806677 767234279 /nfs/dbraw/zinc/23/42/79/767234279.db2.gz SHLQOLLQWQNJQS-JONQDZQNSA-N 1 1 327.432 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001031806467 767249144 /nfs/dbraw/zinc/24/91/44/767249144.db2.gz YSCBLWBQHJAUAX-OAHLLOKOSA-N 1 1 331.420 0.421 20 30 ECEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001046520832 767276273 /nfs/dbraw/zinc/27/62/73/767276273.db2.gz HLKJKBGPXAWJRP-HNNXBMFYSA-N 1 1 330.396 0.464 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046535201 767286113 /nfs/dbraw/zinc/28/61/13/767286113.db2.gz GHIAGDQPFVGTCY-KBPBESRZSA-N 1 1 325.453 0.476 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046538499 767289162 /nfs/dbraw/zinc/28/91/62/767289162.db2.gz KEJSVNCVDWCCTR-QAPCUYQASA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001046556078 767301673 /nfs/dbraw/zinc/30/16/73/767301673.db2.gz CTLHSMANMCEDPA-FQRJBHLQSA-N 1 1 333.432 0.246 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)CCC(=O)NC1)CO2 ZINC001053902414 767304438 /nfs/dbraw/zinc/30/44/38/767304438.db2.gz CDBNATLAIYJMBR-YOEHRIQHSA-N 1 1 335.448 0.828 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3conc3C)C2)C1=O ZINC001046590393 767342854 /nfs/dbraw/zinc/34/28/54/767342854.db2.gz JGZACEYMCAZJJH-YOEHRIQHSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3conc3C)C2)C1=O ZINC001046590393 767342858 /nfs/dbraw/zinc/34/28/58/767342858.db2.gz JGZACEYMCAZJJH-YOEHRIQHSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCN(C)C(=O)C1 ZINC001089825333 767347923 /nfs/dbraw/zinc/34/79/23/767347923.db2.gz BJYLUZPNOAUACV-HZMVEIRTSA-N 1 1 346.475 0.115 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001046595253 767348713 /nfs/dbraw/zinc/34/87/13/767348713.db2.gz ZVYQZDABZOAHMV-SUMWQHHRSA-N 1 1 347.419 0.107 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CS(=O)(=O)C1 ZINC001089829363 767367366 /nfs/dbraw/zinc/36/73/66/767367366.db2.gz XWYCDKIVGPDUSS-JJXSEGSLSA-N 1 1 336.457 0.223 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncc(Cl)cn1 ZINC001106155445 767394418 /nfs/dbraw/zinc/39/44/18/767394418.db2.gz YWNPEVCJUJGYCY-OLZOCXBDSA-N 1 1 337.811 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncc(Cl)cn1 ZINC001106155445 767394426 /nfs/dbraw/zinc/39/44/26/767394426.db2.gz YWNPEVCJUJGYCY-OLZOCXBDSA-N 1 1 337.811 0.117 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046638758 767408750 /nfs/dbraw/zinc/40/87/50/767408750.db2.gz REIJLMDTWLMPKI-QLFBSQMISA-N 1 1 342.447 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccncc2C#N)C1 ZINC001046642606 767411412 /nfs/dbraw/zinc/41/14/12/767411412.db2.gz MWSARZYGDRXCCZ-LESCRADOSA-N 1 1 337.427 0.779 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccncc2C#N)C1 ZINC001046642606 767411415 /nfs/dbraw/zinc/41/14/15/767411415.db2.gz MWSARZYGDRXCCZ-LESCRADOSA-N 1 1 337.427 0.779 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)CO2 ZINC001053949927 767432654 /nfs/dbraw/zinc/43/26/54/767432654.db2.gz RKBGNVRQKZEEBI-HOTGVXAUSA-N 1 1 347.459 0.923 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001046676318 767459980 /nfs/dbraw/zinc/45/99/80/767459980.db2.gz FIXKYGRXTCNVAU-HNNXBMFYSA-N 1 1 349.475 0.786 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N(C)C)C2)cc1 ZINC001046677543 767464251 /nfs/dbraw/zinc/46/42/51/767464251.db2.gz CHINUARTAUTZNY-IBGZPJMESA-N 1 1 343.427 0.981 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N(C)C)C2)cc1 ZINC001046677543 767464253 /nfs/dbraw/zinc/46/42/53/767464253.db2.gz CHINUARTAUTZNY-IBGZPJMESA-N 1 1 343.427 0.981 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001046689748 767485989 /nfs/dbraw/zinc/48/59/89/767485989.db2.gz NUBOXURACYHHPH-CXAGYDPISA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001046689748 767485993 /nfs/dbraw/zinc/48/59/93/767485993.db2.gz NUBOXURACYHHPH-CXAGYDPISA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CC)CO2 ZINC001053974138 767502066 /nfs/dbraw/zinc/50/20/66/767502066.db2.gz HWNUXDBORYMFEW-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CC)CO2 ZINC001053974139 767502103 /nfs/dbraw/zinc/50/21/03/767502103.db2.gz HWNUXDBORYMFEW-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)nc1 ZINC001053985670 767535772 /nfs/dbraw/zinc/53/57/72/767535772.db2.gz WFUAHGUZWBNEDC-CVEARBPZSA-N 1 1 341.411 0.673 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(=O)n(C)n1)CO2 ZINC001054002248 767567851 /nfs/dbraw/zinc/56/78/51/767567851.db2.gz VJKXOWLKZVAGQB-CYBMUJFWSA-N 1 1 332.404 0.320 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001046740348 767569017 /nfs/dbraw/zinc/56/90/17/767569017.db2.gz RXSXPLDQILYWCT-PBHICJAKSA-N 1 1 331.420 0.532 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(=O)n(CCC)n1)CO2 ZINC001054006152 767575773 /nfs/dbraw/zinc/57/57/73/767575773.db2.gz UCJANSDWRPNYFS-CQSZACIVSA-N 1 1 346.431 0.803 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nnc(C)n3C1)CO2 ZINC001054015227 767603226 /nfs/dbraw/zinc/60/32/26/767603226.db2.gz DHCNBBIQFSYEJO-CABCVRRESA-N 1 1 345.447 0.685 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)N1CCCCC1=O)CO2 ZINC001054017039 767608420 /nfs/dbraw/zinc/60/84/20/767608420.db2.gz PZIYIFOOOGNLJZ-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)nc1)CO2 ZINC001054024751 767624188 /nfs/dbraw/zinc/62/41/88/767624188.db2.gz XURCKYPZMPRDPE-CYBMUJFWSA-N 1 1 330.388 0.330 20 30 ECEDMO Cn1[nH]c(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C#CC3CC3)C2)nc1=O ZINC001017124924 767627352 /nfs/dbraw/zinc/62/73/52/767627352.db2.gz XZKGBCBZTKKGDA-AWEZNQCLSA-N 1 1 331.420 0.192 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)N1CCOCC1)CO2 ZINC001054026173 767627457 /nfs/dbraw/zinc/62/74/57/767627457.db2.gz RKWTWULIPIZQIA-HOTGVXAUSA-N 1 1 337.464 0.633 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)C#CC2CC2)C1)[C@@H]1CCC(=O)NC1=O ZINC001017127328 767629025 /nfs/dbraw/zinc/62/90/25/767629025.db2.gz NGJUFRQHDYYCPO-LSDHHAIUSA-N 1 1 331.416 0.375 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC001054037243 767636175 /nfs/dbraw/zinc/63/61/75/767636175.db2.gz BSSDNSGXRIALPP-OALUTQOASA-N 1 1 341.455 0.883 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1COCCN1C ZINC001054037365 767636627 /nfs/dbraw/zinc/63/66/27/767636627.db2.gz DBGMQJXEVKVUTD-RBUKOAKNSA-N 1 1 341.455 0.883 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1COCCN1C ZINC001054037365 767636632 /nfs/dbraw/zinc/63/66/32/767636632.db2.gz DBGMQJXEVKVUTD-RBUKOAKNSA-N 1 1 341.455 0.883 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001054048734 767648138 /nfs/dbraw/zinc/64/81/38/767648138.db2.gz HRFRFQARUGXWDR-DLBZAZTESA-N 1 1 325.412 0.689 20 30 ECEDMO C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001054050354 767649732 /nfs/dbraw/zinc/64/97/32/767649732.db2.gz BHTNUCFIQXZJOF-HOTGVXAUSA-N 1 1 328.416 0.787 20 30 ECEDMO C=CCCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780486 767683497 /nfs/dbraw/zinc/68/34/97/767683497.db2.gz WQZLYDJWFDTHOT-GOEBONIOSA-N 1 1 332.452 0.669 20 30 ECEDMO C=CCCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780486 767683503 /nfs/dbraw/zinc/68/35/03/767683503.db2.gz WQZLYDJWFDTHOT-GOEBONIOSA-N 1 1 332.452 0.669 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001054130524 767725045 /nfs/dbraw/zinc/72/50/45/767725045.db2.gz RNDPQHHQVKXUHW-BEFAXECRSA-N 1 1 343.427 0.520 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001054133437 767729947 /nfs/dbraw/zinc/72/99/47/767729947.db2.gz CSPWSYCPVNAOQL-KRWDZBQOSA-N 1 1 346.435 0.268 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)N1C(=O)CCC1=O)C2 ZINC001054142025 767736437 /nfs/dbraw/zinc/73/64/37/767736437.db2.gz UTWFHFKSABWOGB-DNVCBOLYSA-N 1 1 345.443 0.862 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCCNC1=O)C2 ZINC001054157304 767753596 /nfs/dbraw/zinc/75/35/96/767753596.db2.gz LIWCKMZAPZFYPD-SFHVURJKSA-N 1 1 332.448 0.740 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001054160658 767758295 /nfs/dbraw/zinc/75/82/95/767758295.db2.gz LBJUABXBSHSUEN-GOSISDBHSA-N 1 1 346.431 0.840 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(C)c(=O)n(C)c1=O)C2 ZINC001054208691 767805686 /nfs/dbraw/zinc/80/56/86/767805686.db2.gz VKNJAVSKXBKZEU-GOSISDBHSA-N 1 1 346.431 0.198 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC3(C1)NC(=O)NC3=O)C2 ZINC001054212424 767810204 /nfs/dbraw/zinc/81/02/04/767810204.db2.gz GRHQPPQINZRUIP-LKGZKJKYSA-N 1 1 346.431 0.475 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)CCC1=O)C2 ZINC001054237766 767848891 /nfs/dbraw/zinc/84/88/91/767848891.db2.gz CABHIEQVPSZEHT-SFHVURJKSA-N 1 1 331.416 0.473 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001099234010 768443300 /nfs/dbraw/zinc/44/33/00/768443300.db2.gz FWKOETROAQUOPY-KFWWJZLASA-N 1 1 335.448 0.364 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)C1 ZINC001055034287 768539716 /nfs/dbraw/zinc/53/97/16/768539716.db2.gz KQQBXRIVDLYHJP-RZFFKMDDSA-N 1 1 326.404 0.526 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001055251946 768711798 /nfs/dbraw/zinc/71/17/98/768711798.db2.gz ORZWZZYSBJEKFQ-LVQVYYBASA-N 1 1 335.448 0.589 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001055252235 768712818 /nfs/dbraw/zinc/71/28/18/768712818.db2.gz YXELTZPSJNXZFB-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001042057014 782689538 /nfs/dbraw/zinc/68/95/38/782689538.db2.gz FAUHAVPSKAUISC-CVEARBPZSA-N 1 1 330.432 0.348 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001055313695 768770305 /nfs/dbraw/zinc/77/03/05/768770305.db2.gz BGWZQGVYAOPODU-KHYOSLBOSA-N 1 1 349.475 0.715 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055338382 768795262 /nfs/dbraw/zinc/79/52/62/768795262.db2.gz RYMAFTRAWXGBSB-TWMKSMIVSA-N 1 1 347.459 0.283 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000993344789 768817551 /nfs/dbraw/zinc/81/75/51/768817551.db2.gz FACNUTBPAWZYAG-LBTNJELSSA-N 1 1 332.448 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCCF)C[C@H]2C1 ZINC001055385017 768842960 /nfs/dbraw/zinc/84/29/60/768842960.db2.gz VGXBLOLWBFWALE-XHSDSOJGSA-N 1 1 335.423 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCCF)C[C@H]2C1 ZINC001055385017 768842973 /nfs/dbraw/zinc/84/29/73/768842973.db2.gz VGXBLOLWBFWALE-XHSDSOJGSA-N 1 1 335.423 0.751 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN(CCNC(=O)CC)CC2)CC1 ZINC001055475867 768888075 /nfs/dbraw/zinc/88/80/75/768888075.db2.gz TXCNZNCSXOANTI-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001042066549 782707311 /nfs/dbraw/zinc/70/73/11/782707311.db2.gz HBXIQYAKZARDQU-UONOGXRCSA-N 1 1 330.436 0.988 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC000993414173 768992120 /nfs/dbraw/zinc/99/21/20/768992120.db2.gz NCRCAZUMSYDBDM-ZIAGYGMSSA-N 1 1 334.420 0.092 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2ccon2)CC1 ZINC001055531604 769026443 /nfs/dbraw/zinc/02/64/43/769026443.db2.gz LMSMRWWLGSWOLP-CYBMUJFWSA-N 1 1 348.403 0.023 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001031276126 769039988 /nfs/dbraw/zinc/03/99/88/769039988.db2.gz LYOUHJVJOVGYDM-AWEZNQCLSA-N 1 1 329.400 0.934 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@@H]1C ZINC000993425648 769048863 /nfs/dbraw/zinc/04/88/63/769048863.db2.gz DEBDFJPQNYXJKG-WCQYABFASA-N 1 1 327.388 0.890 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H](O)C(C)C ZINC001212214300 769096596 /nfs/dbraw/zinc/09/65/96/769096596.db2.gz FIUSLTQIUBIHQF-BRWVUGGUSA-N 1 1 331.416 0.891 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H](O)C(C)C ZINC001212214300 769096607 /nfs/dbraw/zinc/09/66/07/769096607.db2.gz FIUSLTQIUBIHQF-BRWVUGGUSA-N 1 1 331.416 0.891 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC001018362592 769198993 /nfs/dbraw/zinc/19/89/93/769198993.db2.gz GLRAIYATWGARKJ-KRWDZBQOSA-N 1 1 347.459 0.165 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2CCC(Nc3ccnc(C#N)n3)CC2)C1 ZINC001060595334 769205143 /nfs/dbraw/zinc/20/51/43/769205143.db2.gz IDHGFNKNEXRLRG-IYXRBSQSSA-N 1 1 328.420 0.561 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042084037 782732746 /nfs/dbraw/zinc/73/27/46/782732746.db2.gz MGVIUQLXFUZSHO-HZSPNIEDSA-N 1 1 328.420 0.631 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)C[C@@H]21 ZINC001042084125 782734236 /nfs/dbraw/zinc/73/42/36/782734236.db2.gz OHKHUXGGXZZJLQ-CABCVRRESA-N 1 1 341.477 0.521 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)C[C@@H]21 ZINC001042084154 782734334 /nfs/dbraw/zinc/73/43/34/782734334.db2.gz OXKOFBQFFOSURL-KGLIPLIRSA-N 1 1 327.450 0.131 20 30 ECEDMO CCc1cc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)no1 ZINC001055604595 769240374 /nfs/dbraw/zinc/24/03/74/769240374.db2.gz TYCHMRMOHJEZKI-LBPRGKRZSA-N 1 1 347.419 0.707 20 30 ECEDMO Cc1cnoc1C(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055631256 769301429 /nfs/dbraw/zinc/30/14/29/769301429.db2.gz DMTQCNUNUGIYHI-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO CC[N@H+](C)CCC(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1 ZINC001055632373 769307524 /nfs/dbraw/zinc/30/75/24/769307524.db2.gz TUDYKKJVPPQLIF-CQSZACIVSA-N 1 1 337.468 0.185 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1 ZINC001055632373 769307537 /nfs/dbraw/zinc/30/75/37/769307537.db2.gz TUDYKKJVPPQLIF-CQSZACIVSA-N 1 1 337.468 0.185 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H]1C ZINC000993586455 769309712 /nfs/dbraw/zinc/30/97/12/769309712.db2.gz FFXPOMBMWCTLDK-GJZGRUSLSA-N 1 1 341.477 0.404 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001055644963 769333259 /nfs/dbraw/zinc/33/32/59/769333259.db2.gz KFFUTPUOGMCCHQ-GJZGRUSLSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001055644963 769333266 /nfs/dbraw/zinc/33/32/66/769333266.db2.gz KFFUTPUOGMCCHQ-GJZGRUSLSA-N 1 1 349.479 0.185 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1C ZINC000993620491 769371524 /nfs/dbraw/zinc/37/15/24/769371524.db2.gz JCAWEGUEDPHQRT-OLZOCXBDSA-N 1 1 327.388 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1C ZINC000993620491 769371530 /nfs/dbraw/zinc/37/15/30/769371530.db2.gz JCAWEGUEDPHQRT-OLZOCXBDSA-N 1 1 327.388 0.547 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COC[C@@H]3CCCO3)C2)nn1 ZINC001098795894 769581973 /nfs/dbraw/zinc/58/19/73/769581973.db2.gz HHWRDPDLQUNKNZ-HOTGVXAUSA-N 1 1 349.435 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H]1C ZINC000993802718 769642593 /nfs/dbraw/zinc/64/25/93/769642593.db2.gz HNUAIQVDGRIJMV-ZIAGYGMSSA-N 1 1 330.432 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@@H]1C ZINC000993802717 769642649 /nfs/dbraw/zinc/64/26/49/769642649.db2.gz HNUAIQVDGRIJMV-UONOGXRCSA-N 1 1 330.432 0.739 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000993806192 769649831 /nfs/dbraw/zinc/64/98/31/769649831.db2.gz KHQHOJPNGZDGGM-PMPSAXMXSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000993806191 769649852 /nfs/dbraw/zinc/64/98/52/769649852.db2.gz KHQHOJPNGZDGGM-OAGGEKHMSA-N 1 1 335.448 0.779 20 30 ECEDMO CC(C)Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078359844 782771649 /nfs/dbraw/zinc/77/16/49/782771649.db2.gz GDVAVPBFPRGJBO-GJZGRUSLSA-N 1 1 348.451 0.801 20 30 ECEDMO Cn1c(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)nnc1C1CC1 ZINC001018730707 769820427 /nfs/dbraw/zinc/82/04/27/769820427.db2.gz GCVZVOVPOYYMAB-ZDUSSCGKSA-N 1 1 339.403 0.897 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001055824612 769861560 /nfs/dbraw/zinc/86/15/60/769861560.db2.gz XUTCOEFTOAGVNQ-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO C[C@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001089356256 769935849 /nfs/dbraw/zinc/93/58/49/769935849.db2.gz WFZLSIFAGWHUHS-UONOGXRCSA-N 1 1 346.435 0.188 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)[C@@H]2C)nn1 ZINC000993951268 769936066 /nfs/dbraw/zinc/93/60/66/769936066.db2.gz OCGXIXJTCCMKJL-KGLIPLIRSA-N 1 1 344.423 0.339 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)c1 ZINC000993952896 769939359 /nfs/dbraw/zinc/93/93/59/769939359.db2.gz PZPMAISMFQRDKU-AWEZNQCLSA-N 1 1 338.371 0.601 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H]1C ZINC000993980832 769958038 /nfs/dbraw/zinc/95/80/38/769958038.db2.gz CBNSKFLDRGBHEP-GJZGRUSLSA-N 1 1 348.451 0.724 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnon3)C2)c1 ZINC001078369247 782793773 /nfs/dbraw/zinc/79/37/73/782793773.db2.gz IONPRGDGIHXRLP-ZDUSSCGKSA-N 1 1 330.348 0.290 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 ZINC001042121945 782806560 /nfs/dbraw/zinc/80/65/60/782806560.db2.gz KLBATYWVMLYZGJ-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H]1C ZINC000994095981 770129802 /nfs/dbraw/zinc/12/98/02/770129802.db2.gz UCLKZHCWLUPWCW-HOTGVXAUSA-N 1 1 330.432 0.853 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001055906518 770168317 /nfs/dbraw/zinc/16/83/17/770168317.db2.gz NUMCZZIQCUPYIE-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001018880034 770178062 /nfs/dbraw/zinc/17/80/62/770178062.db2.gz MSIXFQGRMYNFHN-OAGGEKHMSA-N 1 1 347.459 0.733 20 30 ECEDMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1 ZINC001078382708 782816507 /nfs/dbraw/zinc/81/65/07/782816507.db2.gz JFDBLQOZXMGVGB-ZDUSSCGKSA-N 1 1 344.375 0.599 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001018898127 770233576 /nfs/dbraw/zinc/23/35/76/770233576.db2.gz YTZPGWBAOOGGLF-AWEZNQCLSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001018898127 770233583 /nfs/dbraw/zinc/23/35/83/770233583.db2.gz YTZPGWBAOOGGLF-AWEZNQCLSA-N 1 1 335.448 0.590 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)C#CC(C)C)C1 ZINC001055933824 770273690 /nfs/dbraw/zinc/27/36/90/770273690.db2.gz VODAXYCCHHNKNA-SFHVURJKSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C ZINC000994192257 770280797 /nfs/dbraw/zinc/28/07/97/770280797.db2.gz FPNBUFDPMYQKMH-OAGGEKHMSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C ZINC000994192257 770280808 /nfs/dbraw/zinc/28/08/08/770280808.db2.gz FPNBUFDPMYQKMH-OAGGEKHMSA-N 1 1 349.475 0.456 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@](CO)(NC(=O)C#CC3CC3)C2)C1 ZINC001055939305 770294251 /nfs/dbraw/zinc/29/42/51/770294251.db2.gz WPQNCDKGSMMGBX-KXBFYZLASA-N 1 1 347.459 0.211 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(NC(=O)C#CC(C)(C)C)C1 ZINC001055940344 770298915 /nfs/dbraw/zinc/29/89/15/770298915.db2.gz LZTCAQTYBLFIGV-DNVCBOLYSA-N 1 1 349.475 0.600 20 30 ECEDMO CN1C[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)CC1=O ZINC001018934078 770308324 /nfs/dbraw/zinc/30/83/24/770308324.db2.gz DYDKVQDWMVFTPC-HOCLYGCPSA-N 1 1 344.390 0.866 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055952301 770339320 /nfs/dbraw/zinc/33/93/20/770339320.db2.gz ATMJELALABYGEF-KBXCAEBGSA-N 1 1 337.464 0.620 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)[C@@H]2C)cn1 ZINC000994244136 770397294 /nfs/dbraw/zinc/39/72/94/770397294.db2.gz BHAXIEJANCDNBF-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)[C@@H]2C)cn1 ZINC000994244136 770397302 /nfs/dbraw/zinc/39/73/02/770397302.db2.gz BHAXIEJANCDNBF-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 ZINC001056031462 770615017 /nfs/dbraw/zinc/61/50/17/770615017.db2.gz AAGBMEIQPTZKDL-RHSMWYFYSA-N 1 1 338.452 0.348 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC000994335228 770633696 /nfs/dbraw/zinc/63/36/96/770633696.db2.gz GUWQYBFELWPIQZ-CHWSQXEVSA-N 1 1 336.436 0.862 20 30 ECEDMO CC#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056061779 770713693 /nfs/dbraw/zinc/71/36/93/770713693.db2.gz NXHMHCIHGDLWSY-VQIMIIECSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@@H]1C ZINC000994429029 770794499 /nfs/dbraw/zinc/79/44/99/770794499.db2.gz LJJVKMJMWNXBFB-UONOGXRCSA-N 1 1 326.404 0.659 20 30 ECEDMO O=C(C#CC1CC1)N1CCCO[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001078398075 782868746 /nfs/dbraw/zinc/86/87/46/782868746.db2.gz JHSFSKLGFNPJNF-OAHLLOKOSA-N 1 1 343.431 0.803 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCCO2)s1 ZINC001078397888 782869145 /nfs/dbraw/zinc/86/91/45/782869145.db2.gz GSAUKECZQWJSAQ-AWEZNQCLSA-N 1 1 334.445 0.967 20 30 ECEDMO N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001019110332 770812716 /nfs/dbraw/zinc/81/27/16/770812716.db2.gz VWAOMRXZRFOPCN-CVEARBPZSA-N 1 1 347.440 0.683 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCCO1)c1nncn1C ZINC001078398284 782869824 /nfs/dbraw/zinc/86/98/24/782869824.db2.gz LYQJAFYTTMKWPX-UKRRQHHQSA-N 1 1 331.420 0.497 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 ZINC001056097786 770819530 /nfs/dbraw/zinc/81/95/30/770819530.db2.gz VMSNDTVMMNMHFI-WMLDXEAASA-N 1 1 338.452 0.348 20 30 ECEDMO CCn1cc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCCO2)nn1 ZINC001078399228 782872256 /nfs/dbraw/zinc/87/22/56/782872256.db2.gz YSKDGWQRCLAKAH-INIZCTEOSA-N 1 1 331.420 0.419 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 ZINC001042161694 782874270 /nfs/dbraw/zinc/87/42/70/782874270.db2.gz CKLRYPYYFMNADP-HUUCEWRRSA-N 1 1 333.436 0.471 20 30 ECEDMO CCc1nc(C#N)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001056150558 770939276 /nfs/dbraw/zinc/93/92/76/770939276.db2.gz SUFYQLKPLGGRNS-OEUWWYETSA-N 1 1 340.431 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3cnco3)C2)C1 ZINC001019221868 771019184 /nfs/dbraw/zinc/01/91/84/771019184.db2.gz XTLJQOPRTHPXCS-AWEZNQCLSA-N 1 1 342.399 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3cnco3)C2)C1 ZINC001019221868 771019187 /nfs/dbraw/zinc/01/91/87/771019187.db2.gz XTLJQOPRTHPXCS-AWEZNQCLSA-N 1 1 342.399 0.447 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001060700230 771020485 /nfs/dbraw/zinc/02/04/85/771020485.db2.gz ZITUAWFRYFDGPS-KBUPBQIOSA-N 1 1 336.436 0.268 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001060700230 771020490 /nfs/dbraw/zinc/02/04/90/771020490.db2.gz ZITUAWFRYFDGPS-KBUPBQIOSA-N 1 1 336.436 0.268 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001056233569 771025764 /nfs/dbraw/zinc/02/57/64/771025764.db2.gz VJUGFAMFIQOACV-QXSJWSMHSA-N 1 1 341.415 0.225 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001056233569 771025771 /nfs/dbraw/zinc/02/57/71/771025771.db2.gz VJUGFAMFIQOACV-QXSJWSMHSA-N 1 1 341.415 0.225 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031418523 771036839 /nfs/dbraw/zinc/03/68/39/771036839.db2.gz LMPSYNMKEKHORA-QGZVFWFLSA-N 1 1 346.406 0.718 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031418523 771036844 /nfs/dbraw/zinc/03/68/44/771036844.db2.gz LMPSYNMKEKHORA-QGZVFWFLSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001056252197 771043180 /nfs/dbraw/zinc/04/31/80/771043180.db2.gz ATXSYVUJYNKVKD-CTNYNGJSSA-N 1 1 325.416 0.846 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)CC(C)(C)C1 ZINC001089408635 771088324 /nfs/dbraw/zinc/08/83/24/771088324.db2.gz KKJJHMBNKWHIGP-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC(C)(C)C1 ZINC001089409666 771091773 /nfs/dbraw/zinc/09/17/73/771091773.db2.gz VGKKSWMVSDNDAS-OLZOCXBDSA-N 1 1 336.436 0.767 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001019308578 771134842 /nfs/dbraw/zinc/13/48/42/771134842.db2.gz ABDDKLPZBITMEY-KBPBESRZSA-N 1 1 331.351 0.069 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001056355857 771164576 /nfs/dbraw/zinc/16/45/76/771164576.db2.gz PSKJGWWLFQSUJF-MYZSUADSSA-N 1 1 326.404 0.383 20 30 ECEDMO CC1(C)C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CCN(CC#N)C1 ZINC001089444962 771200288 /nfs/dbraw/zinc/20/02/88/771200288.db2.gz AGALGGDLQMWZNT-BHEGOAEISA-N 1 1 346.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001019365193 771209389 /nfs/dbraw/zinc/20/93/89/771209389.db2.gz WLKUXLSMXWZKPW-CABCVRRESA-N 1 1 328.416 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001019365193 771209393 /nfs/dbraw/zinc/20/93/93/771209393.db2.gz WLKUXLSMXWZKPW-CABCVRRESA-N 1 1 328.416 0.305 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC(C)(C)C1 ZINC001089450920 771217375 /nfs/dbraw/zinc/21/73/75/771217375.db2.gz STBAKINBJUDWJV-YESZJQIVSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC(C)(C)C1 ZINC001089450919 771217654 /nfs/dbraw/zinc/21/76/54/771217654.db2.gz STBAKINBJUDWJV-IXDOHACOSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(C)n3C)C2)C1=O ZINC001031547867 771260042 /nfs/dbraw/zinc/26/00/42/771260042.db2.gz OIMCBAHYNVZFOK-MRXNPFEDSA-N 1 1 330.432 0.782 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001060726914 771264065 /nfs/dbraw/zinc/26/40/65/771264065.db2.gz LSWHHJKQNOSKNP-ULQDDVLXSA-N 1 1 349.475 0.768 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001060726914 771264067 /nfs/dbraw/zinc/26/40/67/771264067.db2.gz LSWHHJKQNOSKNP-ULQDDVLXSA-N 1 1 349.475 0.768 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)O1 ZINC001056464293 771300255 /nfs/dbraw/zinc/30/02/55/771300255.db2.gz VKPKNQVITSSWSA-AQFIFQLPSA-N 1 1 341.415 0.223 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)O1 ZINC001056464293 771300260 /nfs/dbraw/zinc/30/02/60/771300260.db2.gz VKPKNQVITSSWSA-AQFIFQLPSA-N 1 1 341.415 0.223 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)ncn3)C[C@H]21 ZINC001056467465 771305322 /nfs/dbraw/zinc/30/53/22/771305322.db2.gz SCMLGKJCGCZXTC-QSJFSLAZSA-N 1 1 325.416 0.433 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)ncn3)C[C@H]21 ZINC001056467465 771305329 /nfs/dbraw/zinc/30/53/29/771305329.db2.gz SCMLGKJCGCZXTC-QSJFSLAZSA-N 1 1 325.416 0.433 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccnc(F)c3)C2)C1=O ZINC001031573868 771318926 /nfs/dbraw/zinc/31/89/26/771318926.db2.gz BOTWOXSVIWKSNT-AWEZNQCLSA-N 1 1 332.379 0.669 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3cn(C)nn3)C2)cc1 ZINC001019478429 771341828 /nfs/dbraw/zinc/34/18/28/771341828.db2.gz CGENAMVLPIJKNB-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212241103 771363566 /nfs/dbraw/zinc/36/35/66/771363566.db2.gz KMVISCZGACUNLF-GVDBMIGSSA-N 1 1 338.448 0.657 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001031595561 771369521 /nfs/dbraw/zinc/36/95/21/771369521.db2.gz ZABHCXQOVKQBOL-KRWDZBQOSA-N 1 1 346.406 0.576 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001031595561 771369524 /nfs/dbraw/zinc/36/95/24/771369524.db2.gz ZABHCXQOVKQBOL-KRWDZBQOSA-N 1 1 346.406 0.576 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC(C)(C)C1 ZINC001089520572 771394278 /nfs/dbraw/zinc/39/42/78/771394278.db2.gz YBYZDGVVDMQFLN-AWEZNQCLSA-N 1 1 333.432 0.669 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCCO1 ZINC001089543164 771434178 /nfs/dbraw/zinc/43/41/78/771434178.db2.gz GGNGYWJQPRMUCV-CQSZACIVSA-N 1 1 346.435 0.400 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCCO1 ZINC001089548522 771452347 /nfs/dbraw/zinc/45/23/47/771452347.db2.gz MKDDTQKQKHKPBO-OAHLLOKOSA-N 1 1 346.435 0.402 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCN(C4CCC4)C3=O)C2)[nH]1 ZINC001031619144 771466446 /nfs/dbraw/zinc/46/64/46/771466446.db2.gz LMROIHCGXRWHQM-MRXNPFEDSA-N 1 1 341.415 0.701 20 30 ECEDMO CC(C)N1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001031619416 771468539 /nfs/dbraw/zinc/46/85/39/771468539.db2.gz WJLQZSLWSSMQGJ-HNNXBMFYSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC(C)(C)C1 ZINC001089555077 771470716 /nfs/dbraw/zinc/47/07/16/771470716.db2.gz HQKPFPTZZYQTHQ-ZDUSSCGKSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)CC(C)(C)C1 ZINC001089555991 771473941 /nfs/dbraw/zinc/47/39/41/771473941.db2.gz OPQHVKHTDQTBHA-LBPRGKRZSA-N 1 1 329.404 0.429 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@@H]21 ZINC001042200676 782928492 /nfs/dbraw/zinc/92/84/92/782928492.db2.gz IOILVYAFJXIENF-HIFRSBDPSA-N 1 1 329.400 0.867 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561154 771494192 /nfs/dbraw/zinc/49/41/92/771494192.db2.gz NLNLVHBJLRXGKC-KGLIPLIRSA-N 1 1 341.477 0.308 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2(C)CC2)CCCO1 ZINC001019611679 771593093 /nfs/dbraw/zinc/59/30/93/771593093.db2.gz NUMZLJNLFVKBGF-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2(C)CC2)CCCO1 ZINC001019611679 771593095 /nfs/dbraw/zinc/59/30/95/771593095.db2.gz NUMZLJNLFVKBGF-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO NC(=O)C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC001042210007 782941620 /nfs/dbraw/zinc/94/16/20/782941620.db2.gz FMWFEBICPUKUTA-ZBFHGGJFSA-N 1 1 329.375 0.585 20 30 ECEDMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC001042210007 782941626 /nfs/dbraw/zinc/94/16/26/782941626.db2.gz FMWFEBICPUKUTA-ZBFHGGJFSA-N 1 1 329.375 0.585 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC001019673583 771702335 /nfs/dbraw/zinc/70/23/35/771702335.db2.gz ZUKSPRBOQLVNIW-AWEZNQCLSA-N 1 1 337.383 0.888 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)n3CC)C2)nc1 ZINC001019675160 771703658 /nfs/dbraw/zinc/70/36/58/771703658.db2.gz DAVUNHQMXRQWGO-HNNXBMFYSA-N 1 1 338.415 0.987 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@@H]3C2)c1 ZINC001042233145 782963736 /nfs/dbraw/zinc/96/37/36/782963736.db2.gz PVOAVJNMRHORMO-NVXWUHKLSA-N 1 1 340.427 0.688 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 ZINC001056989093 771915468 /nfs/dbraw/zinc/91/54/68/771915468.db2.gz GNTVAWUQRYZMGZ-CQSZACIVSA-N 1 1 325.376 0.591 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)cc1 ZINC001042257640 782993424 /nfs/dbraw/zinc/99/34/24/782993424.db2.gz KLEHMQBOLKLXJH-WMLDXEAASA-N 1 1 341.411 0.720 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)cc1 ZINC001042257640 782993429 /nfs/dbraw/zinc/99/34/29/782993429.db2.gz KLEHMQBOLKLXJH-WMLDXEAASA-N 1 1 341.411 0.720 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057213923 772290846 /nfs/dbraw/zinc/29/08/46/772290846.db2.gz RHSGKZVDGXNEIJ-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO Cc1cc(C#N)nc(N2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001057234944 772318914 /nfs/dbraw/zinc/31/89/14/772318914.db2.gz WIBHPBNXSKRDTR-XJKSGUPXSA-N 1 1 342.447 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC2(F)F)[C@H]1C ZINC001020240353 772336388 /nfs/dbraw/zinc/33/63/88/772336388.db2.gz LJEMXBXIKBXNSN-CRWXNKLISA-N 1 1 339.386 0.845 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC2(F)F)[C@H]1C ZINC001020240353 772336392 /nfs/dbraw/zinc/33/63/92/772336392.db2.gz LJEMXBXIKBXNSN-CRWXNKLISA-N 1 1 339.386 0.845 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1=O ZINC001020256995 772361005 /nfs/dbraw/zinc/36/10/05/772361005.db2.gz OCIDPKVJHKVGBS-RYPNDVFKSA-N 1 1 343.431 0.537 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)CC[N@H+]1C ZINC001020299511 772415386 /nfs/dbraw/zinc/41/53/86/772415386.db2.gz RBVBFMZWNKRHSH-OSRDXIQISA-N 1 1 343.431 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CC(C)C1 ZINC001057317749 772454746 /nfs/dbraw/zinc/45/47/46/772454746.db2.gz JMATXWDWSDNCKW-GPANFISMSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CC(C)C1 ZINC001057317749 772454749 /nfs/dbraw/zinc/45/47/49/772454749.db2.gz JMATXWDWSDNCKW-GPANFISMSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001057390248 772558932 /nfs/dbraw/zinc/55/89/32/772558932.db2.gz UWWAGOIJUGXMGA-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(Nc2nccnc2C#N)CC1 ZINC001057392341 772560964 /nfs/dbraw/zinc/56/09/64/772560964.db2.gz HPDARSJBRJDHBM-UHFFFAOYSA-N 1 1 325.376 0.956 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 ZINC001057397218 772565819 /nfs/dbraw/zinc/56/58/19/772565819.db2.gz RWGMAYFQZUHFLR-UHFFFAOYSA-N 1 1 349.435 0.167 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001057445090 772621758 /nfs/dbraw/zinc/62/17/58/772621758.db2.gz GWWKEXBKVFVPRY-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NCCN(CCO)C(=O)C#CC(C)C ZINC001057517508 772709064 /nfs/dbraw/zinc/70/90/64/772709064.db2.gz VASOIGVUHOWQHS-UHFFFAOYSA-N 1 1 348.447 0.568 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C#CC(C)C)CC[N@H+]1C ZINC001057525570 772718936 /nfs/dbraw/zinc/71/89/36/772718936.db2.gz ZCNKMGDGWWZGDC-JKSUJKDBSA-N 1 1 337.464 0.313 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057539119 772734360 /nfs/dbraw/zinc/73/43/60/772734360.db2.gz OJFIUBNQEFTLEI-UHFFFAOYSA-N 1 1 325.453 0.315 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057541404 772737502 /nfs/dbraw/zinc/73/75/02/772737502.db2.gz XHKQLUBDAIJBEI-UHFFFAOYSA-N 1 1 334.420 0.178 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001057570253 772766324 /nfs/dbraw/zinc/76/63/24/772766324.db2.gz LUTPQRJTAHNHAK-GJZGRUSLSA-N 1 1 338.452 0.346 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057600566 772798062 /nfs/dbraw/zinc/79/80/62/772798062.db2.gz CNBOGNZSGGSVEO-TZMCWYRMSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057600566 772798068 /nfs/dbraw/zinc/79/80/68/772798068.db2.gz CNBOGNZSGGSVEO-TZMCWYRMSA-N 1 1 330.392 0.082 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC12CCC2 ZINC001057608333 772808025 /nfs/dbraw/zinc/80/80/25/772808025.db2.gz COGMHHMNTIHFFU-CVEARBPZSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC12CCC2 ZINC001057608333 772808028 /nfs/dbraw/zinc/80/80/28/772808028.db2.gz COGMHHMNTIHFFU-CVEARBPZSA-N 1 1 347.459 0.211 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739434 772955805 /nfs/dbraw/zinc/95/58/05/772955805.db2.gz AFBYCPFXBIFZJF-HZPDHXFCSA-N 1 1 337.464 0.457 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1)C1CCC1 ZINC001057771923 772972896 /nfs/dbraw/zinc/97/28/96/772972896.db2.gz ROWPZKXRYBBZOA-ZDUSSCGKSA-N 1 1 328.420 0.657 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057786178 772981582 /nfs/dbraw/zinc/98/15/82/772981582.db2.gz LFLNAIKFRANOOP-HNNXBMFYSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057786178 772981584 /nfs/dbraw/zinc/98/15/84/772981584.db2.gz LFLNAIKFRANOOP-HNNXBMFYSA-N 1 1 344.419 0.011 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(c2cncc(C#N)n2)CC1 ZINC001057812218 773015137 /nfs/dbraw/zinc/01/51/37/773015137.db2.gz YFUSBPDHIPPNOA-CJNGLKHVSA-N 1 1 342.447 0.879 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057812161 773015159 /nfs/dbraw/zinc/01/51/59/773015159.db2.gz VYNQDNWOHFGPLV-BBRMVZONSA-N 1 1 342.447 0.879 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001057822838 773033431 /nfs/dbraw/zinc/03/34/31/773033431.db2.gz IOFQRJXGRUHJPE-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057864461 773092869 /nfs/dbraw/zinc/09/28/69/773092869.db2.gz TWYJDTADEBUGJU-LSDHHAIUSA-N 1 1 327.469 0.722 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057873188 773106447 /nfs/dbraw/zinc/10/64/47/773106447.db2.gz JQSBJLHVCHCVLR-UHFFFAOYSA-N 1 1 325.376 0.638 20 30 ECEDMO C=CCn1cccc1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001057902416 773161411 /nfs/dbraw/zinc/16/14/11/773161411.db2.gz KKYDXUFQHFIQDW-HNNXBMFYSA-N 1 1 348.447 0.177 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001057903323 773163394 /nfs/dbraw/zinc/16/33/94/773163394.db2.gz DURRUXDSWVISQB-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C)CCC1 ZINC001057962349 773294339 /nfs/dbraw/zinc/29/43/39/773294339.db2.gz SEVJKDBWPCPWDJ-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C)CCC1 ZINC001057962349 773294344 /nfs/dbraw/zinc/29/43/44/773294344.db2.gz SEVJKDBWPCPWDJ-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCC1(C)C ZINC001057962219 773294386 /nfs/dbraw/zinc/29/43/86/773294386.db2.gz NBWXZAONLCEXGJ-CVEARBPZSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCC1(C)C ZINC001057962219 773294390 /nfs/dbraw/zinc/29/43/90/773294390.db2.gz NBWXZAONLCEXGJ-CVEARBPZSA-N 1 1 349.475 0.457 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001057974234 773319379 /nfs/dbraw/zinc/31/93/79/773319379.db2.gz OJDLCAXZZKXDRH-DLBZAZTESA-N 1 1 349.475 0.600 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001040606830 783092852 /nfs/dbraw/zinc/09/28/52/783092852.db2.gz PBPVBSLBAQINJP-APWZRJJASA-N 1 1 349.475 0.601 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058087240 773508568 /nfs/dbraw/zinc/50/85/68/773508568.db2.gz KUWQBOLTRZWTCV-CZUORRHYSA-N 1 1 342.447 0.973 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058087340 773509356 /nfs/dbraw/zinc/50/93/56/773509356.db2.gz OKHRQSJKDYOEBJ-CZUORRHYSA-N 1 1 342.447 0.973 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001058119914 773573531 /nfs/dbraw/zinc/57/35/31/773573531.db2.gz CTLUZRYKLYDSNF-UKRRQHHQSA-N 1 1 328.420 0.836 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058134283 773604437 /nfs/dbraw/zinc/60/44/37/773604437.db2.gz ADTGUCWRZAVRPA-DZGCQCFKSA-N 1 1 344.419 0.072 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058134283 773604441 /nfs/dbraw/zinc/60/44/41/773604441.db2.gz ADTGUCWRZAVRPA-DZGCQCFKSA-N 1 1 344.419 0.072 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058157593 773657882 /nfs/dbraw/zinc/65/78/82/773657882.db2.gz BMAIGSVSRYKCGX-OAHLLOKOSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058157963 773659688 /nfs/dbraw/zinc/65/96/88/773659688.db2.gz MCGCQSFTKHTRJO-HNNXBMFYSA-N 1 1 325.453 0.622 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058241047 773829139 /nfs/dbraw/zinc/82/91/39/773829139.db2.gz HCBHTWJZTIRZFE-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058241620 773830365 /nfs/dbraw/zinc/83/03/65/773830365.db2.gz VJODGCHVKZMDHC-ZIAGYGMSSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001058258473 773860255 /nfs/dbraw/zinc/86/02/55/773860255.db2.gz XONBQWJHEDORPC-MGPQQGTHSA-N 1 1 328.420 0.773 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001058266103 773880679 /nfs/dbraw/zinc/88/06/79/773880679.db2.gz CSGMTILQXRXLLN-IBGZPJMESA-N 1 1 349.475 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001058274955 773902235 /nfs/dbraw/zinc/90/22/35/773902235.db2.gz LPUAHEVDTXHQSY-QGZVFWFLSA-N 1 1 343.427 0.170 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 ZINC001058480374 774269111 /nfs/dbraw/zinc/26/91/11/774269111.db2.gz JZECVPAFARIZTO-KRWDZBQOSA-N 1 1 349.475 0.459 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001058497456 774310295 /nfs/dbraw/zinc/31/02/95/774310295.db2.gz WIAYHDGWFPGEAD-HOTGVXAUSA-N 1 1 337.464 0.457 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)C1 ZINC001058543419 774400112 /nfs/dbraw/zinc/40/01/12/774400112.db2.gz TWCSBOAAKILBOK-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001058580000 774471182 /nfs/dbraw/zinc/47/11/82/774471182.db2.gz CAVULMOEIVRPJP-UMVBOHGHSA-N 1 1 342.447 0.946 20 30 ECEDMO C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001040652853 783187651 /nfs/dbraw/zinc/18/76/51/783187651.db2.gz JFHZFRMTSVEKPL-MPGHIAIKSA-N 1 1 337.464 0.763 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039858575 783200088 /nfs/dbraw/zinc/20/00/88/783200088.db2.gz QSNKHAUYFQVCNK-RKVPGOIHSA-N 1 1 335.448 0.066 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001044913391 774724670 /nfs/dbraw/zinc/72/46/70/774724670.db2.gz NXQHLUJZRHLKJH-MAUKXSAKSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001044913391 774724673 /nfs/dbraw/zinc/72/46/73/774724673.db2.gz NXQHLUJZRHLKJH-MAUKXSAKSA-N 1 1 345.443 0.130 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001044999392 774816196 /nfs/dbraw/zinc/81/61/96/774816196.db2.gz YWMNKXFRZIBFCT-HUUCEWRRSA-N 1 1 335.448 0.067 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C2CC2)c[nH]1 ZINC001045002499 774820339 /nfs/dbraw/zinc/82/03/39/774820339.db2.gz OVXHLIRTPRNPQO-AWEZNQCLSA-N 1 1 340.391 0.602 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001045002626 774820872 /nfs/dbraw/zinc/82/08/72/774820872.db2.gz CECVIOHMWDRPKH-UHFFFAOYSA-N 1 1 332.404 0.075 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nncs1 ZINC001045074020 774936912 /nfs/dbraw/zinc/93/69/12/774936912.db2.gz VQTXISQKHQUIKP-KBPBESRZSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nncs1 ZINC001045074020 774936917 /nfs/dbraw/zinc/93/69/17/774936917.db2.gz VQTXISQKHQUIKP-KBPBESRZSA-N 1 1 333.461 0.716 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001045102347 774981052 /nfs/dbraw/zinc/98/10/52/774981052.db2.gz ILTYIPYKFRJDRC-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2c[nH]nn2)C1=O ZINC001045206305 775148469 /nfs/dbraw/zinc/14/84/69/775148469.db2.gz IYRUJQILWAVWNC-LSDHHAIUSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2cnn[nH]2)C1=O ZINC001045206305 775148474 /nfs/dbraw/zinc/14/84/74/775148474.db2.gz IYRUJQILWAVWNC-LSDHHAIUSA-N 1 1 346.435 0.105 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](n2ccnn2)C1 ZINC001070023588 790359830 /nfs/dbraw/zinc/35/98/30/790359830.db2.gz ZAZHXPBGPRHRAL-CABCVRRESA-N 1 1 340.387 0.366 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](n2ccnn2)C1 ZINC001070023588 790359844 /nfs/dbraw/zinc/35/98/44/790359844.db2.gz ZAZHXPBGPRHRAL-CABCVRRESA-N 1 1 340.387 0.366 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070025685 790369186 /nfs/dbraw/zinc/36/91/86/790369186.db2.gz DSFWOQJHGWMOEC-JKIFEVAISA-N 1 1 346.435 0.112 20 30 ECEDMO C=CCCC(=O)NC1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001070030948 790391925 /nfs/dbraw/zinc/39/19/25/790391925.db2.gz XBQDEPUKIHKIGU-AWEZNQCLSA-N 1 1 339.436 0.065 20 30 ECEDMO C=CCCC(=O)NC1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001070030948 790391939 /nfs/dbraw/zinc/39/19/39/790391939.db2.gz XBQDEPUKIHKIGU-AWEZNQCLSA-N 1 1 339.436 0.065 20 30 ECEDMO C=CCCC(=O)NC1(CNC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001070032934 790395258 /nfs/dbraw/zinc/39/52/58/790395258.db2.gz GVVMKGLCCJPXFI-UHFFFAOYSA-N 1 1 334.420 0.939 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 ZINC001068493186 790400927 /nfs/dbraw/zinc/40/09/27/790400927.db2.gz KAPUHMMHSRAYDI-JOCQHMNTSA-N 1 1 325.376 0.860 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001044386018 776259870 /nfs/dbraw/zinc/25/98/70/776259870.db2.gz LCZIZAAQXLZHAH-PMPSAXMXSA-N 1 1 343.431 0.412 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055830 790466065 /nfs/dbraw/zinc/46/60/65/790466065.db2.gz RZDHKKWECIIZSF-KGLIPLIRSA-N 1 1 329.408 0.849 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055830 790466075 /nfs/dbraw/zinc/46/60/75/790466075.db2.gz RZDHKKWECIIZSF-KGLIPLIRSA-N 1 1 329.408 0.849 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccn(C)n3)C2)C1=O ZINC001079683740 776678851 /nfs/dbraw/zinc/67/88/51/776678851.db2.gz CZXWGUSYMLCFHI-BMFZPTHFSA-N 1 1 345.447 0.186 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079686802 776686037 /nfs/dbraw/zinc/68/60/37/776686037.db2.gz KSUJCYWAUHCSDC-MAUKXSAKSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001079690439 776693714 /nfs/dbraw/zinc/69/37/14/776693714.db2.gz VESXWZFKDKMGTI-RDTXWAMCSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001079690294 776693998 /nfs/dbraw/zinc/69/39/98/776693998.db2.gz UJEITPMHKJXMCD-RDTXWAMCSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001079773198 776841373 /nfs/dbraw/zinc/84/13/73/776841373.db2.gz BGIDYIJVVXAPGG-HOCLYGCPSA-N 1 1 335.448 0.283 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001079774959 776846465 /nfs/dbraw/zinc/84/64/65/776846465.db2.gz PWIPNABBBMXSPC-IYBDPMFKSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079776056 776849603 /nfs/dbraw/zinc/84/96/03/776849603.db2.gz AEUMKYQOIZYNFI-RDJZCZTQSA-N 1 1 349.475 0.957 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1CN(C(=O)C#CC(C)(C)C)C1 ZINC001079865721 776998657 /nfs/dbraw/zinc/99/86/57/776998657.db2.gz KPPYPXPHFNXAFA-MRXNPFEDSA-N 1 1 349.475 0.816 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1CN(C(=O)C#CC(C)(C)C)C1 ZINC001079865721 776998664 /nfs/dbraw/zinc/99/86/64/776998664.db2.gz KPPYPXPHFNXAFA-MRXNPFEDSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001079888878 777027123 /nfs/dbraw/zinc/02/71/23/777027123.db2.gz ZCXXJBHQPBZQTB-OAGGEKHMSA-N 1 1 327.432 0.905 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC001068537155 790508787 /nfs/dbraw/zinc/50/87/87/790508787.db2.gz DNLKWQVZCLEJCV-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001079978201 777183028 /nfs/dbraw/zinc/18/30/28/777183028.db2.gz FIFRBOCKBAEKGC-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](C)OCC)C1 ZINC001080009204 777222841 /nfs/dbraw/zinc/22/28/41/777222841.db2.gz UWFFHCHXYUVGEE-ZBFHGGJFSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](C)OCC)C1 ZINC001080009204 777222847 /nfs/dbraw/zinc/22/28/47/777222847.db2.gz UWFFHCHXYUVGEE-ZBFHGGJFSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001068540011 790519542 /nfs/dbraw/zinc/51/95/42/790519542.db2.gz WRKIYGIZWQNWSR-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001080012612 777228106 /nfs/dbraw/zinc/22/81/06/777228106.db2.gz HPUUHEOGDNXSKR-HOTGVXAUSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001080051285 777305864 /nfs/dbraw/zinc/30/58/64/777305864.db2.gz RIJFQLAIRZRMSD-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001080140507 777450579 /nfs/dbraw/zinc/45/05/79/777450579.db2.gz ULGZUSMIVGTVSX-ZDUSSCGKSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@@H](n2ccnn2)C1 ZINC001070082668 790541971 /nfs/dbraw/zinc/54/19/71/790541971.db2.gz STVXCYQOGAGXOK-KGLIPLIRSA-N 1 1 342.403 0.913 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@@H](n2ccnn2)C1 ZINC001070082668 790541978 /nfs/dbraw/zinc/54/19/78/790541978.db2.gz STVXCYQOGAGXOK-KGLIPLIRSA-N 1 1 342.403 0.913 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001080198072 777539976 /nfs/dbraw/zinc/53/99/76/777539976.db2.gz XAZDHUQJGSEPQE-MGPQQGTHSA-N 1 1 331.407 0.965 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001080210359 777562902 /nfs/dbraw/zinc/56/29/02/777562902.db2.gz FTMWVLQLGJKBCI-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001080210359 777562909 /nfs/dbraw/zinc/56/29/09/777562909.db2.gz FTMWVLQLGJKBCI-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261206 777622275 /nfs/dbraw/zinc/62/22/75/777622275.db2.gz GKXROFWJNWUHIA-DJSGYFEHSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261206 777622277 /nfs/dbraw/zinc/62/22/77/777622277.db2.gz GKXROFWJNWUHIA-DJSGYFEHSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261728 777624387 /nfs/dbraw/zinc/62/43/87/777624387.db2.gz WQVYHHKLTOAKAL-DJIMGWMZSA-N 1 1 325.412 0.611 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261728 777624390 /nfs/dbraw/zinc/62/43/90/777624390.db2.gz WQVYHHKLTOAKAL-DJIMGWMZSA-N 1 1 325.412 0.611 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001080304826 777663493 /nfs/dbraw/zinc/66/34/93/777663493.db2.gz DKCKQAOZGNRVIB-ZBFHGGJFSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001080304826 777663499 /nfs/dbraw/zinc/66/34/99/777663499.db2.gz DKCKQAOZGNRVIB-ZBFHGGJFSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070085543 790553400 /nfs/dbraw/zinc/55/34/00/790553400.db2.gz FMWCWKBZHXOYFK-XHSDSOJGSA-N 1 1 346.435 0.064 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCCC1 ZINC001043119766 777765496 /nfs/dbraw/zinc/76/54/96/777765496.db2.gz CSXFFLOMJQNAPT-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2C#N)C1 ZINC001043206421 777957520 /nfs/dbraw/zinc/95/75/20/777957520.db2.gz LJKGZNYDKVOVDA-BXUZGUMPSA-N 1 1 325.376 0.812 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(C#N)cn2)C1 ZINC001043206339 777957724 /nfs/dbraw/zinc/95/77/24/777957724.db2.gz GWCWALLKZIHKRT-BXUZGUMPSA-N 1 1 325.376 0.812 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3C#N)C2)C1 ZINC001043211826 777972981 /nfs/dbraw/zinc/97/29/81/777972981.db2.gz XXRGEIXZQLZJKA-BPLDGKMQSA-N 1 1 344.419 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3C#N)C2)C1 ZINC001043211826 777972984 /nfs/dbraw/zinc/97/29/84/777972984.db2.gz XXRGEIXZQLZJKA-BPLDGKMQSA-N 1 1 344.419 0.328 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ccncc1C#N ZINC001043250622 778047478 /nfs/dbraw/zinc/04/74/78/778047478.db2.gz FOUQIGLNUGHHTF-JKIFEVAISA-N 1 1 327.432 0.976 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001043272650 778080171 /nfs/dbraw/zinc/08/01/71/778080171.db2.gz WCGGSAJQMRBMCY-JKSUJKDBSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070096214 790592263 /nfs/dbraw/zinc/59/22/63/790592263.db2.gz NPPLELXMEXEYEK-CABCVRRESA-N 1 1 329.408 0.633 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070099423 790602554 /nfs/dbraw/zinc/60/25/54/790602554.db2.gz GJUUKXWQZNPHLK-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001043430711 778317999 /nfs/dbraw/zinc/31/79/99/778317999.db2.gz LTKCQGIVGSTSAU-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001043661421 778682703 /nfs/dbraw/zinc/68/27/03/778682703.db2.gz ROUAXAGGGMFOEY-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001043679768 778711260 /nfs/dbraw/zinc/71/12/60/778711260.db2.gz MTJCBTRLWGKMFG-JKSUJKDBSA-N 1 1 347.459 0.352 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)C1 ZINC001043727285 778781918 /nfs/dbraw/zinc/78/19/18/778781918.db2.gz MTTQACJVKZWLSY-HRCADAONSA-N 1 1 341.415 0.321 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC001068620160 790727206 /nfs/dbraw/zinc/72/72/06/790727206.db2.gz IENOZMVCHDAOGE-DZGCQCFKSA-N 1 1 348.447 0.507 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070145865 790747154 /nfs/dbraw/zinc/74/71/54/790747154.db2.gz WSDCOMYAIOZLKT-MJBXVCDLSA-N 1 1 339.827 0.941 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 ZINC001068631345 790754778 /nfs/dbraw/zinc/75/47/78/790754778.db2.gz DJWYIUIPFMTIKO-KGLIPLIRSA-N 1 1 336.436 0.364 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)cn1 ZINC001042317901 780064113 /nfs/dbraw/zinc/06/41/13/780064113.db2.gz CQZZKXHECGEDAT-PBHICJAKSA-N 1 1 340.427 0.688 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC001042332430 780087174 /nfs/dbraw/zinc/08/71/74/780087174.db2.gz JSHLEKQHXDHJMR-UONOGXRCSA-N 1 1 346.431 0.263 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@H]21 ZINC001042333861 780089005 /nfs/dbraw/zinc/08/90/05/780089005.db2.gz QOYMGOLWETUPLE-HUUCEWRRSA-N 1 1 338.415 0.911 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3nc4nccc(C)n4n3)C[C@@H]21 ZINC001042335433 780091463 /nfs/dbraw/zinc/09/14/63/780091463.db2.gz KKFPAWGVTXYJEB-CABCVRRESA-N 1 1 338.415 0.992 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]21 ZINC001042341480 780103079 /nfs/dbraw/zinc/10/30/79/780103079.db2.gz NXBVABLVEOJCKG-YOEHRIQHSA-N 1 1 336.399 0.832 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@H]21 ZINC001042341476 780103233 /nfs/dbraw/zinc/10/32/33/780103233.db2.gz NXBVABLVEOJCKG-RHSMWYFYSA-N 1 1 336.399 0.832 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C[C@@H]21 ZINC001042352546 780122947 /nfs/dbraw/zinc/12/29/47/780122947.db2.gz ZYJFBTUWNZKBIL-ZBFHGGJFSA-N 1 1 328.416 0.898 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]21 ZINC001042353031 780123295 /nfs/dbraw/zinc/12/32/95/780123295.db2.gz GQDIGBJSWIKJQX-OCCSQVGLSA-N 1 1 330.388 0.046 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(CC(=O)NC)[C@@H]3C2)CC1 ZINC001042368532 780155955 /nfs/dbraw/zinc/15/59/55/780155955.db2.gz QWRPONBJLJOUGR-DOTOQJQBSA-N 1 1 346.475 0.000 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ncoc2C)C[C@@H]1n1ccnn1 ZINC001070153423 790770887 /nfs/dbraw/zinc/77/08/87/790770887.db2.gz WKBDSHAKFMQKMQ-NEPJUHHUSA-N 1 1 336.783 0.982 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001042503088 780359726 /nfs/dbraw/zinc/35/97/26/780359726.db2.gz ZTTNFLNTXVQNQN-GZBFAFLISA-N 1 1 328.420 0.631 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2ccc(C#N)c(F)c2)C1 ZINC001042573132 780464095 /nfs/dbraw/zinc/46/40/95/780464095.db2.gz DATFCOWAZPLTKX-QGZVFWFLSA-N 1 1 346.406 0.671 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2ccc(C#N)c(F)c2)C1 ZINC001042573132 780464099 /nfs/dbraw/zinc/46/40/99/780464099.db2.gz DATFCOWAZPLTKX-QGZVFWFLSA-N 1 1 346.406 0.671 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2cccc(C#N)c2)C1 ZINC001042573385 780465350 /nfs/dbraw/zinc/46/53/50/780465350.db2.gz IBJYMAPNEWUDDU-QGZVFWFLSA-N 1 1 328.416 0.531 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2cccc(C#N)c2)C1 ZINC001042573385 780465352 /nfs/dbraw/zinc/46/53/52/780465352.db2.gz IBJYMAPNEWUDDU-QGZVFWFLSA-N 1 1 328.416 0.531 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2cccc(C#N)c2)C1 ZINC001042573384 780465354 /nfs/dbraw/zinc/46/53/54/780465354.db2.gz IBJYMAPNEWUDDU-KRWDZBQOSA-N 1 1 328.416 0.531 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2cccc(C#N)c2)C1 ZINC001042573384 780465355 /nfs/dbraw/zinc/46/53/55/780465355.db2.gz IBJYMAPNEWUDDU-KRWDZBQOSA-N 1 1 328.416 0.531 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1C ZINC001042621072 780541365 /nfs/dbraw/zinc/54/13/65/780541365.db2.gz HVKUQEMJNNOTDH-MCIONIFRSA-N 1 1 331.395 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1C ZINC001042621072 780541374 /nfs/dbraw/zinc/54/13/74/780541374.db2.gz HVKUQEMJNNOTDH-MCIONIFRSA-N 1 1 331.395 0.654 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001078885042 780582531 /nfs/dbraw/zinc/58/25/31/780582531.db2.gz SYDJJFKKKQFVMA-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001078948898 780643431 /nfs/dbraw/zinc/64/34/31/780643431.db2.gz SKFSCBFAKUWKKY-IAGOWNOFSA-N 1 1 349.475 0.816 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001078948898 780643433 /nfs/dbraw/zinc/64/34/33/780643433.db2.gz SKFSCBFAKUWKKY-IAGOWNOFSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001042801212 780845064 /nfs/dbraw/zinc/84/50/64/780845064.db2.gz HIJRJLUECSFICA-MRXNPFEDSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CC[NH+]1CCC2(CN(C(=O)CS(C)(=O)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079227375 780897804 /nfs/dbraw/zinc/89/78/04/780897804.db2.gz PVQGSZHRCFINEQ-UONOGXRCSA-N 1 1 342.461 0.156 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001042834466 780912289 /nfs/dbraw/zinc/91/22/89/780912289.db2.gz RIAGGFFSFLNNEB-HUUCEWRRSA-N 1 1 340.387 0.478 20 30 ECEDMO CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001042836355 780916696 /nfs/dbraw/zinc/91/66/96/780916696.db2.gz RYHGAZAKJOASKG-SRCQZFHVSA-N 1 1 346.406 0.969 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042860760 780955263 /nfs/dbraw/zinc/95/52/63/780955263.db2.gz ITECZCMGIMJFOD-FVQBIDKESA-N 1 1 343.431 0.615 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400013 781077266 /nfs/dbraw/zinc/07/72/66/781077266.db2.gz JFPYLOWVCMAHLA-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400013 781077273 /nfs/dbraw/zinc/07/72/73/781077273.db2.gz JFPYLOWVCMAHLA-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042970751 781119428 /nfs/dbraw/zinc/11/94/28/781119428.db2.gz WHBKKFKWHLTUMT-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001043010917 781177174 /nfs/dbraw/zinc/17/71/74/781177174.db2.gz FMUPXNKKVGSOHS-DTZQCDIJSA-N 1 1 343.431 0.613 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cn(C)cn3)C2)C1=O ZINC001079569905 781271463 /nfs/dbraw/zinc/27/14/63/781271463.db2.gz DYPHRHPXFRGPBA-UMVBOHGHSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cn(C)cn3)C2)C1=O ZINC001079569905 781271468 /nfs/dbraw/zinc/27/14/68/781271468.db2.gz DYPHRHPXFRGPBA-UMVBOHGHSA-N 1 1 331.420 0.257 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2O)CC1 ZINC001077621762 781368560 /nfs/dbraw/zinc/36/85/60/781368560.db2.gz ZXMCJTIVTIZHCS-IAGOWNOFSA-N 1 1 345.443 0.793 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001077632411 781388081 /nfs/dbraw/zinc/38/80/81/781388081.db2.gz QNOTYBYNPKKFNF-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001077632411 781388087 /nfs/dbraw/zinc/38/80/87/781388087.db2.gz QNOTYBYNPKKFNF-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@H]2O)C1 ZINC001077642007 781410296 /nfs/dbraw/zinc/41/02/96/781410296.db2.gz RZEWKQOAMJVXTO-HUUCEWRRSA-N 1 1 333.436 0.413 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]2O)C1 ZINC001077642007 781410302 /nfs/dbraw/zinc/41/03/02/781410302.db2.gz RZEWKQOAMJVXTO-HUUCEWRRSA-N 1 1 333.436 0.413 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)c1 ZINC001077648605 781422586 /nfs/dbraw/zinc/42/25/86/781422586.db2.gz OEODZGVZGQDRNU-DJIMGWMZSA-N 1 1 329.400 0.264 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC001041399932 781435795 /nfs/dbraw/zinc/43/57/95/781435795.db2.gz SDFUYVASASBYBX-SFHVURJKSA-N 1 1 328.416 0.948 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O ZINC001041429452 781489190 /nfs/dbraw/zinc/48/91/90/781489190.db2.gz GCBABIYPEGQJOM-RBSFLKMASA-N 1 1 329.404 0.103 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC001041499282 781635740 /nfs/dbraw/zinc/63/57/40/781635740.db2.gz VAXZUJOEXVKBLF-YJBOKZPZSA-N 1 1 341.415 0.313 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001041505072 781652299 /nfs/dbraw/zinc/65/22/99/781652299.db2.gz IUKGOOZSHGDQDS-CVEARBPZSA-N 1 1 343.431 0.934 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C2)C1 ZINC001041505814 781654315 /nfs/dbraw/zinc/65/43/15/781654315.db2.gz JRTPGAUODCAQLS-SFHVURJKSA-N 1 1 339.399 0.502 20 30 ECEDMO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077761390 781657694 /nfs/dbraw/zinc/65/76/94/781657694.db2.gz QWDVMGXQLLVSAC-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077761390 781657698 /nfs/dbraw/zinc/65/76/98/781657698.db2.gz QWDVMGXQLLVSAC-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001041598975 781826913 /nfs/dbraw/zinc/82/69/13/781826913.db2.gz DENZJAVKUBGXRV-DNVCBOLYSA-N 1 1 341.459 0.868 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001077876659 781854177 /nfs/dbraw/zinc/85/41/77/781854177.db2.gz HMYXKTNXCFOBQB-BZUAXINKSA-N 1 1 327.384 0.046 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001077876659 781854187 /nfs/dbraw/zinc/85/41/87/781854187.db2.gz HMYXKTNXCFOBQB-BZUAXINKSA-N 1 1 327.384 0.046 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(c3ccc(C#N)cn3)CCCO2)C1 ZINC001039915174 783274638 /nfs/dbraw/zinc/27/46/38/783274638.db2.gz LORQQDQKSQXCPT-HZPDHXFCSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(c3ccc(C#N)cn3)CCCO2)C1 ZINC001039915173 783274815 /nfs/dbraw/zinc/27/48/15/783274815.db2.gz LORQQDQKSQXCPT-HOTGVXAUSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(c3cnc(C#N)cn3)CCCO2)C1 ZINC001039915792 783276566 /nfs/dbraw/zinc/27/65/66/783276566.db2.gz VKZCZAQGSFOWQE-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001040728097 783338514 /nfs/dbraw/zinc/33/85/14/783338514.db2.gz WPYYYSCNHKFQET-CRAIPNDOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001040729481 783340387 /nfs/dbraw/zinc/34/03/87/783340387.db2.gz QDUCFRLORKXTMF-MAUKXSAKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040046688 783434409 /nfs/dbraw/zinc/43/44/09/783434409.db2.gz DCBQIUUDEVTAKB-RKVPGOIHSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040811877 783485550 /nfs/dbraw/zinc/48/55/50/783485550.db2.gz FODFRXSDMIQRRK-ROUUACIJSA-N 1 1 348.447 0.873 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001040821967 783506658 /nfs/dbraw/zinc/50/66/58/783506658.db2.gz GOALZKXTSXIFGJ-SOUVJXGZSA-N 1 1 340.431 0.870 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)C1 ZINC001040825180 783513125 /nfs/dbraw/zinc/51/31/25/783513125.db2.gz NWZSDVQELMKAFM-IJEWVQPXSA-N 1 1 340.431 0.727 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@@H]1n1ccnn1 ZINC001070235025 783713698 /nfs/dbraw/zinc/71/36/98/783713698.db2.gz VEXXMAVBBILLTB-CVEARBPZSA-N 1 1 337.387 0.767 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258290 783756005 /nfs/dbraw/zinc/75/60/05/783756005.db2.gz NVQKYXBJMWFRBW-ZACQAIPSSA-N 1 1 344.463 0.375 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258290 783756012 /nfs/dbraw/zinc/75/60/12/783756012.db2.gz NVQKYXBJMWFRBW-ZACQAIPSSA-N 1 1 344.463 0.375 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(n3ncc4c3CN(CC#N)C4)CC2)C1 ZINC001070351015 783859563 /nfs/dbraw/zinc/85/95/63/783859563.db2.gz CFXROAIQHSQMEV-CQSZACIVSA-N 1 1 342.447 0.837 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)[C@H]3CCOC3)[nH]2)[C@H](C2CC2)C1 ZINC001070351116 783860872 /nfs/dbraw/zinc/86/08/72/783860872.db2.gz IGDXMWGYQVSTPT-SOUVJXGZSA-N 1 1 343.431 0.516 20 30 ECEDMO C#CC[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)[C@H]3CCOC3)n2)[C@H](C2CC2)C1 ZINC001070351116 783860883 /nfs/dbraw/zinc/86/08/83/783860883.db2.gz IGDXMWGYQVSTPT-SOUVJXGZSA-N 1 1 343.431 0.516 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)[C@H]3CCOC3)n2)[C@H](C2CC2)C1 ZINC001070351116 783860890 /nfs/dbraw/zinc/86/08/90/783860890.db2.gz IGDXMWGYQVSTPT-SOUVJXGZSA-N 1 1 343.431 0.516 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)cc2F)C1 ZINC001038139068 783909172 /nfs/dbraw/zinc/90/91/72/783909172.db2.gz ZZGLDQBZZUZVKB-WBVHZDCISA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)cc2F)C1 ZINC001038139068 783909177 /nfs/dbraw/zinc/90/91/77/783909177.db2.gz ZZGLDQBZZUZVKB-WBVHZDCISA-N 1 1 346.406 0.718 20 30 ECEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2nnc[nH]2)CC1 ZINC001070381599 783919582 /nfs/dbraw/zinc/91/95/82/783919582.db2.gz KENJFNMUFGQCCD-DYVFJYSZSA-N 1 1 346.435 0.009 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnsn2)C1 ZINC001070384680 783926266 /nfs/dbraw/zinc/92/62/66/783926266.db2.gz DDCNPICGZRKYMF-ZDUSSCGKSA-N 1 1 343.412 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnsn2)C1 ZINC001070384680 783926269 /nfs/dbraw/zinc/92/62/69/783926269.db2.gz DDCNPICGZRKYMF-ZDUSSCGKSA-N 1 1 343.412 0.949 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2[nH]nnc2C)C1 ZINC001070386179 783930964 /nfs/dbraw/zinc/93/09/64/783930964.db2.gz BUBIBIUVRWHNAM-AWEZNQCLSA-N 1 1 340.387 0.524 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2[nH]nnc2C)C1 ZINC001070386179 783930965 /nfs/dbraw/zinc/93/09/65/783930965.db2.gz BUBIBIUVRWHNAM-AWEZNQCLSA-N 1 1 340.387 0.524 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnon2)C1 ZINC001070387442 783935013 /nfs/dbraw/zinc/93/50/13/783935013.db2.gz QCSXOOVHEVVYKI-AWEZNQCLSA-N 1 1 341.371 0.871 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H]2CCc3ncnn32)[nH]1 ZINC001038172028 783947649 /nfs/dbraw/zinc/94/76/49/783947649.db2.gz DYPHRZISZVRWEC-OLZOCXBDSA-N 1 1 325.376 0.469 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)nc2C)C1 ZINC001070399505 783966782 /nfs/dbraw/zinc/96/67/82/783966782.db2.gz LRROPIUSAZNWPD-ZDUSSCGKSA-N 1 1 326.404 0.804 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001070403446 783978857 /nfs/dbraw/zinc/97/88/57/783978857.db2.gz SUCXPPOISUTZFU-YPMHNXCESA-N 1 1 342.403 0.710 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnnn2CC)C1 ZINC001070409734 783997572 /nfs/dbraw/zinc/99/75/72/783997572.db2.gz KYRCXPLMDRJAJP-ZDUSSCGKSA-N 1 1 341.419 0.764 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001070412997 784006428 /nfs/dbraw/zinc/00/64/28/784006428.db2.gz PZQPWBNBCPESQH-OCCSQVGLSA-N 1 1 331.420 0.527 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001070412828 784006724 /nfs/dbraw/zinc/00/67/24/784006724.db2.gz LGWQTQIYGTVJFN-ZQIUZPCESA-N 1 1 346.431 0.642 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001070414099 784011085 /nfs/dbraw/zinc/01/10/85/784011085.db2.gz FHYWYIVYYNLWPV-ZIAGYGMSSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001070414344 784013421 /nfs/dbraw/zinc/01/34/21/784013421.db2.gz KGHMHHGUIUMLRT-GFCCVEGCSA-N 1 1 340.387 0.648 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2COC(=O)N2)cc1 ZINC001038223063 784017560 /nfs/dbraw/zinc/01/75/60/784017560.db2.gz RQFYBUOVXRTTCV-DZGCQCFKSA-N 1 1 344.371 0.388 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2COC(=O)N2)cc1 ZINC001038223063 784017565 /nfs/dbraw/zinc/01/75/65/784017565.db2.gz RQFYBUOVXRTTCV-DZGCQCFKSA-N 1 1 344.371 0.388 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(C)n2)C1 ZINC001070431458 784052815 /nfs/dbraw/zinc/05/28/15/784052815.db2.gz WADOGQZGZJGMJG-LBPRGKRZSA-N 1 1 327.392 0.281 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001070906275 784090217 /nfs/dbraw/zinc/09/02/17/784090217.db2.gz YZSRWJWVQWPMMY-YUELXQCFSA-N 1 1 343.387 0.153 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001070906275 784090227 /nfs/dbraw/zinc/09/02/27/784090227.db2.gz YZSRWJWVQWPMMY-YUELXQCFSA-N 1 1 343.387 0.153 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070911922 784101933 /nfs/dbraw/zinc/10/19/33/784101933.db2.gz OMDOOQHHUQQEEA-MJBXVCDLSA-N 1 1 345.403 0.705 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070911922 784101936 /nfs/dbraw/zinc/10/19/36/784101936.db2.gz OMDOOQHHUQQEEA-MJBXVCDLSA-N 1 1 345.403 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)COCCC=C)C1 ZINC001070921524 784119149 /nfs/dbraw/zinc/11/91/49/784119149.db2.gz BLIUGWGHBGCURI-SJORKVTESA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)COCCC=C)C1 ZINC001070921524 784119154 /nfs/dbraw/zinc/11/91/54/784119154.db2.gz BLIUGWGHBGCURI-SJORKVTESA-N 1 1 347.459 0.784 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001070933637 784150222 /nfs/dbraw/zinc/15/02/22/784150222.db2.gz WOWILGQDBFYRMY-UHFFFAOYSA-N 1 1 333.392 0.022 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nn2C)CC1 ZINC001070945007 784186670 /nfs/dbraw/zinc/18/66/70/784186670.db2.gz SXNWTLBMEFDXJT-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nn2C)CC1 ZINC001070945007 784186673 /nfs/dbraw/zinc/18/66/73/784186673.db2.gz SXNWTLBMEFDXJT-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC001070947310 784193757 /nfs/dbraw/zinc/19/37/57/784193757.db2.gz QWUVNXWJUJFKAT-HUUCEWRRSA-N 1 1 336.436 0.366 20 30 ECEDMO CCCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951371 784206207 /nfs/dbraw/zinc/20/62/07/784206207.db2.gz KXHXOCYVMZTNAU-UHFFFAOYSA-N 1 1 331.420 0.951 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1 ZINC001070513274 784213616 /nfs/dbraw/zinc/21/36/16/784213616.db2.gz DTOPGGLRKBKOEE-DZGCQCFKSA-N 1 1 327.392 0.033 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001070955161 784216595 /nfs/dbraw/zinc/21/65/95/784216595.db2.gz NPKDTEYUCHKJME-CQSZACIVSA-N 1 1 337.420 0.166 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC001070958713 784229487 /nfs/dbraw/zinc/22/94/87/784229487.db2.gz OPDWKMUHYWAEBI-INIZCTEOSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC001070958713 784229494 /nfs/dbraw/zinc/22/94/94/784229494.db2.gz OPDWKMUHYWAEBI-INIZCTEOSA-N 1 1 335.448 0.477 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001070533347 784238649 /nfs/dbraw/zinc/23/86/49/784238649.db2.gz SWDVLMMAVFAYRE-HZPDHXFCSA-N 1 1 347.463 0.887 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001070963588 784245025 /nfs/dbraw/zinc/24/50/25/784245025.db2.gz YIDNBXLBTAQSOQ-IRXDYDNUSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070544107 784249256 /nfs/dbraw/zinc/24/92/56/784249256.db2.gz GJYOTIHYKDOTNR-UKPHBRMFSA-N 1 1 340.431 0.539 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)nnn2CC)CC1 ZINC001070970534 784270233 /nfs/dbraw/zinc/27/02/33/784270233.db2.gz KIDHZANCBSGCSU-UHFFFAOYSA-N 1 1 348.451 0.447 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)nnn2CC)CC1 ZINC001070970534 784270242 /nfs/dbraw/zinc/27/02/42/784270242.db2.gz KIDHZANCBSGCSU-UHFFFAOYSA-N 1 1 348.451 0.447 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001070970657 784271456 /nfs/dbraw/zinc/27/14/56/784271456.db2.gz PXNUBSLUXDICTR-OAHLLOKOSA-N 1 1 345.447 0.597 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001070971577 784275366 /nfs/dbraw/zinc/27/53/66/784275366.db2.gz GXTGVVKRTDQGHL-QGZVFWFLSA-N 1 1 348.491 0.535 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001070975054 784287226 /nfs/dbraw/zinc/28/72/26/784287226.db2.gz CMAOEBHQTFGXON-MRXNPFEDSA-N 1 1 336.480 0.697 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cncnc2)CC1 ZINC001070980152 784307941 /nfs/dbraw/zinc/30/79/41/784307941.db2.gz RSVUFNSEZXESGA-UHFFFAOYSA-N 1 1 343.431 0.083 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cncnc2)CC1 ZINC001070980152 784307947 /nfs/dbraw/zinc/30/79/47/784307947.db2.gz RSVUFNSEZXESGA-UHFFFAOYSA-N 1 1 343.431 0.083 20 30 ECEDMO C#CCC1(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CCC1 ZINC001070585950 784364657 /nfs/dbraw/zinc/36/46/57/784364657.db2.gz RWXPPESMKVVBOV-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC1(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CCC1 ZINC001070585950 784364666 /nfs/dbraw/zinc/36/46/66/784364666.db2.gz RWXPPESMKVVBOV-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCN1CCOC[C@H]1c1nc(CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001070589776 784381567 /nfs/dbraw/zinc/38/15/67/784381567.db2.gz LPYPXDGJHSOOHI-AWEZNQCLSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCN1CCOC[C@H]1c1nnc(CNC(=O)C2CC[NH+](C)CC2)[nH]1 ZINC001070589776 784381575 /nfs/dbraw/zinc/38/15/75/784381575.db2.gz LPYPXDGJHSOOHI-AWEZNQCLSA-N 1 1 348.451 0.322 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C)[nH]c2=O)CC1 ZINC001071004867 784383438 /nfs/dbraw/zinc/38/34/38/784383438.db2.gz VGAKXJZDHIHJHD-UHFFFAOYSA-N 1 1 344.415 0.383 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C)[nH]c2=O)CC1 ZINC001071004867 784383447 /nfs/dbraw/zinc/38/34/47/784383447.db2.gz VGAKXJZDHIHJHD-UHFFFAOYSA-N 1 1 344.415 0.383 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001070592803 784394850 /nfs/dbraw/zinc/39/48/50/784394850.db2.gz GZGIWISFLLTHQP-ZIAGYGMSSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070592803 784394854 /nfs/dbraw/zinc/39/48/54/784394854.db2.gz GZGIWISFLLTHQP-ZIAGYGMSSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070592803 784394861 /nfs/dbraw/zinc/39/48/61/784394861.db2.gz GZGIWISFLLTHQP-ZIAGYGMSSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070592803 784394867 /nfs/dbraw/zinc/39/48/67/784394867.db2.gz GZGIWISFLLTHQP-ZIAGYGMSSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001070592803 784394872 /nfs/dbraw/zinc/39/48/72/784394872.db2.gz GZGIWISFLLTHQP-ZIAGYGMSSA-N 1 1 348.451 0.322 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CC(C)C)CC2)nc1 ZINC001071015497 784421179 /nfs/dbraw/zinc/42/11/79/784421179.db2.gz HIIDPIZLIMIXFQ-UHFFFAOYSA-N 1 1 342.443 0.983 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc[nH]n2)n1 ZINC001070605487 784427047 /nfs/dbraw/zinc/42/70/47/784427047.db2.gz PONJDJZSAGIHFY-QWHCGFSZSA-N 1 1 345.407 0.919 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnon2)n1 ZINC001070605463 784427246 /nfs/dbraw/zinc/42/72/46/784427246.db2.gz ONRFZLXFEJTVPB-NWDGAFQWSA-N 1 1 330.348 0.241 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnn(C)n2)CC1 ZINC001071044016 784474483 /nfs/dbraw/zinc/47/44/83/784474483.db2.gz CBJCWRHLWJLNFW-MAZHCROVSA-N 1 1 346.435 0.460 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3NCC#N)CC2)C1 ZINC001071087268 784530106 /nfs/dbraw/zinc/53/01/06/784530106.db2.gz WAPAAKBKACHLHE-KYJSFNMBSA-N 1 1 334.464 0.837 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3cncn3C)[C@H](NCC#N)C2)C1 ZINC001070689879 784557009 /nfs/dbraw/zinc/55/70/09/784557009.db2.gz UODRSOFZNXPBOP-RRFJBIMHSA-N 1 1 330.436 0.169 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)C[C@@H](C)O2 ZINC001071129315 784569747 /nfs/dbraw/zinc/56/97/47/784569747.db2.gz JBFZNCWOXROBQF-CRAIPNDOSA-N 1 1 329.400 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@@H](C)O2 ZINC001071134131 784578781 /nfs/dbraw/zinc/57/87/81/784578781.db2.gz NDMDHOAKEDCISO-CRAIPNDOSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1)C[C@@H](C)O2 ZINC001071142612 784592980 /nfs/dbraw/zinc/59/29/80/784592980.db2.gz RIVXUTJBTKESEO-QAPCUYQASA-N 1 1 330.432 0.678 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nccnc1N)C[C@@H](C)O2 ZINC001071147393 784602429 /nfs/dbraw/zinc/60/24/29/784602429.db2.gz PXYSLTZSPMJSLL-DYVFJYSZSA-N 1 1 329.404 0.388 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C)c1C)C[C@@H](C)O2 ZINC001071149470 784606139 /nfs/dbraw/zinc/60/61/39/784606139.db2.gz MURRQTFRSZNMML-CXAGYDPISA-N 1 1 331.420 0.452 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@@H+](CCn3cccn3)C2)O1 ZINC001071166079 784640443 /nfs/dbraw/zinc/64/04/43/784640443.db2.gz BQFNXSOOTDVNIR-APWZRJJASA-N 1 1 342.443 0.988 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@@H+](CCn3cncn3)C2)O1 ZINC001071167322 784644121 /nfs/dbraw/zinc/64/41/21/784644121.db2.gz WPPQFTFVVFCXLR-YJBOKZPZSA-N 1 1 343.431 0.383 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@H](C)O2 ZINC001071169733 784649304 /nfs/dbraw/zinc/64/93/04/784649304.db2.gz VZWBVPYMXDZYGG-SUMWQHHRSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@H](C)O2 ZINC001071169733 784649308 /nfs/dbraw/zinc/64/93/08/784649308.db2.gz VZWBVPYMXDZYGG-SUMWQHHRSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070758175 784659002 /nfs/dbraw/zinc/65/90/02/784659002.db2.gz RBZCBQBSERJWMY-UKRRQHHQSA-N 1 1 332.404 0.337 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nnn1CC)C[C@@H](C)O2 ZINC001071175473 784663908 /nfs/dbraw/zinc/66/39/08/784663908.db2.gz FDIUNNGVCKHTEC-RDTXWAMCSA-N 1 1 345.447 0.935 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@H](C)O2 ZINC001071184151 784686459 /nfs/dbraw/zinc/68/64/59/784686459.db2.gz YWUHQLUIYURGHA-KXBFYZLASA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCNC1=O)C[C@H](C)O2 ZINC001071185118 784687092 /nfs/dbraw/zinc/68/70/92/784687092.db2.gz AVWYMTFCMLCPGB-YJBOKZPZSA-N 1 1 348.447 0.117 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@H](C)O2 ZINC001071190090 784696624 /nfs/dbraw/zinc/69/66/24/784696624.db2.gz UCNXPEQCXJNMFQ-SUMWQHHRSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071190144 784696968 /nfs/dbraw/zinc/69/69/68/784696968.db2.gz UVJABOZJDFJTMW-KDOFPFPSSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071190144 784696974 /nfs/dbraw/zinc/69/69/74/784696974.db2.gz UVJABOZJDFJTMW-KDOFPFPSSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@@H](C)O2 ZINC001071191620 784701559 /nfs/dbraw/zinc/70/15/59/784701559.db2.gz HMSFHBKGIZENPA-RDTXWAMCSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccoc1CC(N)=O)C[C@@H](C)O2 ZINC001071203758 784728608 /nfs/dbraw/zinc/72/86/08/784728608.db2.gz HJWRXAVXZNMHGI-ACJLOTCBSA-N 1 1 345.399 0.246 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccoc1CC(N)=O)C[C@@H](C)O2 ZINC001071203758 784728615 /nfs/dbraw/zinc/72/86/15/784728615.db2.gz HJWRXAVXZNMHGI-ACJLOTCBSA-N 1 1 345.399 0.246 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@]2(CCN(CC#N)C2)O1 ZINC001071208932 784739489 /nfs/dbraw/zinc/73/94/89/784739489.db2.gz BRQCRMIAEQZODI-CRAIPNDOSA-N 1 1 334.464 0.934 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@H](C)O2 ZINC001071209331 784740590 /nfs/dbraw/zinc/74/05/90/784740590.db2.gz IDJYPUORYHBOEN-YVEFUNNKSA-N 1 1 333.388 0.870 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@@H](C)O2 ZINC001071211571 784746016 /nfs/dbraw/zinc/74/60/16/784746016.db2.gz KELOTFVDFDCQJD-BEFAXECRSA-N 1 1 343.427 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@@H](C)O2 ZINC001071212154 784748212 /nfs/dbraw/zinc/74/82/12/784748212.db2.gz SNYQSRAVFMEFHM-RDTXWAMCSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@H](C)O2 ZINC001071218372 784762132 /nfs/dbraw/zinc/76/21/32/784762132.db2.gz MRLVJKGVGDKBDL-SUMWQHHRSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@H](C)O2 ZINC001071218372 784762135 /nfs/dbraw/zinc/76/21/35/784762135.db2.gz MRLVJKGVGDKBDL-SUMWQHHRSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CCC)nn1)C[C@@H](C)O2 ZINC001071225204 784780957 /nfs/dbraw/zinc/78/09/57/784780957.db2.gz HFLHKRJLDUSHRB-RHSMWYFYSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CCC)nn1)C[C@@H](C)O2 ZINC001071225204 784780961 /nfs/dbraw/zinc/78/09/61/784780961.db2.gz HFLHKRJLDUSHRB-RHSMWYFYSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnn(CC)c1)C[C@H](C)O2 ZINC001071225424 784781276 /nfs/dbraw/zinc/78/12/76/784781276.db2.gz KCKJRSDMFJNCBH-MAUKXSAKSA-N 1 1 330.432 0.771 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@@H](C)O2 ZINC001071236105 784802908 /nfs/dbraw/zinc/80/29/08/784802908.db2.gz PWRWZYCNLRINOA-CXAGYDPISA-N 1 1 327.388 0.601 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@@H](C)O2 ZINC001071236105 784802910 /nfs/dbraw/zinc/80/29/10/784802910.db2.gz PWRWZYCNLRINOA-CXAGYDPISA-N 1 1 327.388 0.601 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@H](C)O2 ZINC001071238392 784807726 /nfs/dbraw/zinc/80/77/26/784807726.db2.gz MEQSQTDZTKUWCT-KBXCAEBGSA-N 1 1 344.415 0.109 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@H](C)O2 ZINC001071240788 784813714 /nfs/dbraw/zinc/81/37/14/784813714.db2.gz KUTASHLMXGWZLV-YJBOKZPZSA-N 1 1 331.416 0.726 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)C[C@H](C)O2 ZINC001071240698 784814192 /nfs/dbraw/zinc/81/41/92/784814192.db2.gz JSLMYBVHOFXBRY-IFXJQAMLSA-N 1 1 341.411 0.724 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)C[C@H](C)O2 ZINC001071245735 784826127 /nfs/dbraw/zinc/82/61/27/784826127.db2.gz IUNRVEQQQYCCPT-UGSOOPFHSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)C[C@H](C)O2 ZINC001071246100 784826803 /nfs/dbraw/zinc/82/68/03/784826803.db2.gz OWOSOEWGUGLLQW-KSSFIOAISA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)C[C@H](C)O2 ZINC001071246100 784826814 /nfs/dbraw/zinc/82/68/14/784826814.db2.gz OWOSOEWGUGLLQW-KSSFIOAISA-N 1 1 330.432 0.921 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)C(=O)C1 ZINC001071255711 784852621 /nfs/dbraw/zinc/85/26/21/784852621.db2.gz UVUAAMNOJWELJQ-AWEZNQCLSA-N 1 1 331.420 0.735 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)C(=O)C1 ZINC001071255711 784852628 /nfs/dbraw/zinc/85/26/28/784852628.db2.gz UVUAAMNOJWELJQ-AWEZNQCLSA-N 1 1 331.420 0.735 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258734 784865124 /nfs/dbraw/zinc/86/51/24/784865124.db2.gz PQRLWZBULYQWSP-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277114 784922635 /nfs/dbraw/zinc/92/26/35/784922635.db2.gz LDCGGKQAWBBOLE-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001071340472 784978492 /nfs/dbraw/zinc/97/84/92/784978492.db2.gz PEJGPJNNHCRWJG-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071437900 785087812 /nfs/dbraw/zinc/08/78/12/785087812.db2.gz KVLUNVRXUNOJJZ-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CC(=O)N1CCC1 ZINC001071437900 785087819 /nfs/dbraw/zinc/08/78/19/785087819.db2.gz KVLUNVRXUNOJJZ-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)N3CCC3)C2)c1 ZINC001071813654 785145351 /nfs/dbraw/zinc/14/53/51/785145351.db2.gz CTBHQGDDJGSNPR-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001071813654 785145353 /nfs/dbraw/zinc/14/53/53/785145353.db2.gz CTBHQGDDJGSNPR-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1C ZINC001071816793 785153464 /nfs/dbraw/zinc/15/34/64/785153464.db2.gz ZABDIYAKFRTWMY-GHMZBOCLSA-N 1 1 341.437 0.216 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)CC[C@@H]1C ZINC001071828449 785178858 /nfs/dbraw/zinc/17/88/58/785178858.db2.gz OSDXXWGBXVWZMP-UONOGXRCSA-N 1 1 330.432 0.739 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)CC[C@H]1C ZINC001071531254 785253828 /nfs/dbraw/zinc/25/38/28/785253828.db2.gz JIDRDCHPVNPHSI-ZIAGYGMSSA-N 1 1 332.452 0.963 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCn3cncn3)C2)nn1 ZINC001071883164 785269175 /nfs/dbraw/zinc/26/91/75/785269175.db2.gz HBRHHPKCRSJUBM-KGLIPLIRSA-N 1 1 344.423 0.339 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@H]1C ZINC001071890599 785278890 /nfs/dbraw/zinc/27/88/90/785278890.db2.gz OWWJPZDPRFTFQT-CABCVRRESA-N 1 1 346.435 0.171 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC[C@@H]1C ZINC001071896494 785290658 /nfs/dbraw/zinc/29/06/58/785290658.db2.gz GLRYGSBHLKKWHE-KBPBESRZSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC[C@@H]1C ZINC001071608703 785391727 /nfs/dbraw/zinc/39/17/27/785391727.db2.gz DBQTULQKDYGMAB-DZGCQCFKSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC[C@@H]1C ZINC001071608703 785391735 /nfs/dbraw/zinc/39/17/35/785391735.db2.gz DBQTULQKDYGMAB-DZGCQCFKSA-N 1 1 338.473 0.804 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1C ZINC001071966490 785432564 /nfs/dbraw/zinc/43/25/64/785432564.db2.gz FLTZBYFWASFWRS-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@@H]1C ZINC001071966235 785432722 /nfs/dbraw/zinc/43/27/22/785432722.db2.gz CVMYYPJRWDSZDL-LSDHHAIUSA-N 1 1 347.463 0.926 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1C ZINC001071987773 785482188 /nfs/dbraw/zinc/48/21/88/785482188.db2.gz FSKTYQIESHHXNE-UONOGXRCSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001072000833 785506768 /nfs/dbraw/zinc/50/67/68/785506768.db2.gz XQIXEUGMVYFPEE-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@H]1C ZINC001071685339 785519788 /nfs/dbraw/zinc/51/97/88/785519788.db2.gz ACHFQJJBMVACOB-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@H]1C ZINC001071685341 785520178 /nfs/dbraw/zinc/52/01/78/785520178.db2.gz ACHFQJJBMVACOB-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)CC[C@@H]1C ZINC001072043964 785567812 /nfs/dbraw/zinc/56/78/12/785567812.db2.gz HLKSURKISWTGDO-JSGCOSHPSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)CC[C@@H]1C ZINC001072043964 785567815 /nfs/dbraw/zinc/56/78/15/785567815.db2.gz HLKSURKISWTGDO-JSGCOSHPSA-N 1 1 326.404 0.957 20 30 ECEDMO C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072258870 785903758 /nfs/dbraw/zinc/90/37/58/785903758.db2.gz HBUUGWCKTJPLKO-NWDGAFQWSA-N 1 1 342.407 0.298 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)c1 ZINC001072287693 785986455 /nfs/dbraw/zinc/98/64/55/785986455.db2.gz ZTILFNFKWFFNPQ-PBHICJAKSA-N 1 1 342.443 0.980 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001072355700 786071173 /nfs/dbraw/zinc/07/11/73/786071173.db2.gz ZEVJQBHTCUKSIS-STQMWFEESA-N 1 1 340.493 0.937 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001072476071 786239553 /nfs/dbraw/zinc/23/95/53/786239553.db2.gz LCFUUSYSNCQNPV-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO O=C([C@H]1COCCO1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001072493182 786276029 /nfs/dbraw/zinc/27/60/29/786276029.db2.gz UMMREEYQCONNPF-GOSISDBHSA-N 1 1 340.423 0.988 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cocn4)C3)C2)C1=O ZINC001072546884 786350863 /nfs/dbraw/zinc/35/08/63/786350863.db2.gz CSXQGXDZTLYTQG-AWEZNQCLSA-N 1 1 330.388 0.609 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(C(N)=O)cc1)C2 ZINC001072559176 786366991 /nfs/dbraw/zinc/36/69/91/786366991.db2.gz RAYXXNUJNUYJSO-CYBMUJFWSA-N 1 1 326.400 0.979 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSCC#N)C[C@@H]1C ZINC001074240055 786485647 /nfs/dbraw/zinc/48/56/47/786485647.db2.gz OFXYFTPQCJABOH-KBPBESRZSA-N 1 1 340.493 0.938 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001073543534 786530929 /nfs/dbraw/zinc/53/09/29/786530929.db2.gz IIUXAVNCPBCWRR-UKRRQHHQSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001073543534 786530932 /nfs/dbraw/zinc/53/09/32/786530932.db2.gz IIUXAVNCPBCWRR-UKRRQHHQSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C[C@@H]21 ZINC001074267095 786548268 /nfs/dbraw/zinc/54/82/68/786548268.db2.gz WRVIQGYNUOAGKC-LSDHHAIUSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C[C@@H]21 ZINC001074267095 786548274 /nfs/dbraw/zinc/54/82/74/786548274.db2.gz WRVIQGYNUOAGKC-LSDHHAIUSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@@H]21 ZINC001074273546 786563007 /nfs/dbraw/zinc/56/30/07/786563007.db2.gz LAQYVOMDSXUHSF-JKSUJKDBSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@@H]21 ZINC001074273546 786563013 /nfs/dbraw/zinc/56/30/13/786563013.db2.gz LAQYVOMDSXUHSF-JKSUJKDBSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CCCCC(=O)N1CCN(C2CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001073565322 786621994 /nfs/dbraw/zinc/62/19/94/786621994.db2.gz CEDGQMXKWVTBTL-UHFFFAOYSA-N 1 1 348.491 0.485 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC001074334983 786697269 /nfs/dbraw/zinc/69/72/69/786697269.db2.gz DXJUQKCBYBECFY-BBWFWOEESA-N 1 1 349.475 0.838 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOC)[C@H]3C2)c1 ZINC001074336275 786700043 /nfs/dbraw/zinc/70/00/43/786700043.db2.gz MSRCBNWIPSPYPJ-IRXDYDNUSA-N 1 1 329.400 0.625 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]3OCC[N@H+](CCOC)[C@H]3C2)c1 ZINC001074336275 786700047 /nfs/dbraw/zinc/70/00/47/786700047.db2.gz MSRCBNWIPSPYPJ-IRXDYDNUSA-N 1 1 329.400 0.625 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CCOC)c2C)C1 ZINC001073602441 786751600 /nfs/dbraw/zinc/75/16/00/786751600.db2.gz XPPNOWARXNUOKG-MRXNPFEDSA-N 1 1 348.447 0.682 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074369471 786778391 /nfs/dbraw/zinc/77/83/91/786778391.db2.gz WXEVRALFONFDGB-HOTGVXAUSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074369471 786778397 /nfs/dbraw/zinc/77/83/97/786778397.db2.gz WXEVRALFONFDGB-HOTGVXAUSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001073617698 786780365 /nfs/dbraw/zinc/78/03/65/786780365.db2.gz KJGJOILZPMPABR-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001073617698 786780367 /nfs/dbraw/zinc/78/03/67/786780367.db2.gz KJGJOILZPMPABR-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC001073620470 786785390 /nfs/dbraw/zinc/78/53/90/786785390.db2.gz FYINKVKDJJNAEP-ZDUSSCGKSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@H]21 ZINC001074387966 786826609 /nfs/dbraw/zinc/82/66/09/786826609.db2.gz SSQDQEHLKHEYDP-CVEARBPZSA-N 1 1 346.431 0.430 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@H]21 ZINC001074387966 786826622 /nfs/dbraw/zinc/82/66/22/786826622.db2.gz SSQDQEHLKHEYDP-CVEARBPZSA-N 1 1 346.431 0.430 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001073634573 786829866 /nfs/dbraw/zinc/82/98/66/786829866.db2.gz SQNPRLROINYMHB-GFCCVEGCSA-N 1 1 344.371 0.691 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001073634573 786829872 /nfs/dbraw/zinc/82/98/72/786829872.db2.gz SQNPRLROINYMHB-GFCCVEGCSA-N 1 1 344.371 0.691 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3nccnc3c2)C1 ZINC001073637467 786839804 /nfs/dbraw/zinc/83/98/04/786839804.db2.gz ZUMCZXYRJBWOJC-HNNXBMFYSA-N 1 1 339.399 0.869 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001073642868 786853405 /nfs/dbraw/zinc/85/34/05/786853405.db2.gz WQHFBRPOCUGEOS-XHSDSOJGSA-N 1 1 326.437 0.964 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001073645291 786860093 /nfs/dbraw/zinc/86/00/93/786860093.db2.gz JKKRORZIQFLXPY-AWEZNQCLSA-N 1 1 334.420 0.810 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001073661616 786906345 /nfs/dbraw/zinc/90/63/45/786906345.db2.gz BCDRYSWNBKUTCE-CQSZACIVSA-N 1 1 329.404 0.975 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001073662962 786908412 /nfs/dbraw/zinc/90/84/12/786908412.db2.gz RWTLDMJRQBVKQL-CYBMUJFWSA-N 1 1 348.403 0.338 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001073662962 786908421 /nfs/dbraw/zinc/90/84/21/786908421.db2.gz RWTLDMJRQBVKQL-CYBMUJFWSA-N 1 1 348.403 0.338 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001073670855 786927532 /nfs/dbraw/zinc/92/75/32/786927532.db2.gz QCPIYYSOQGSNMQ-DOTOQJQBSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3ccccc3c2O)C1 ZINC001073674934 786943018 /nfs/dbraw/zinc/94/30/18/786943018.db2.gz SEIFXOUDIDHWHJ-CQSZACIVSA-N 1 1 339.395 0.982 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3ccccc3c2O)C1 ZINC001073674934 786943022 /nfs/dbraw/zinc/94/30/22/786943022.db2.gz SEIFXOUDIDHWHJ-CQSZACIVSA-N 1 1 339.395 0.982 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC001073677934 786950499 /nfs/dbraw/zinc/95/04/99/786950499.db2.gz WSCOZHBEJGKABL-CQSZACIVSA-N 1 1 332.404 0.510 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001073684108 786965065 /nfs/dbraw/zinc/96/50/65/786965065.db2.gz IIHWTXORFRVDKY-SJORKVTESA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001073686944 786969237 /nfs/dbraw/zinc/96/92/37/786969237.db2.gz FJXYFCYMNUUSFT-LSDHHAIUSA-N 1 1 338.452 0.560 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001073686909 786969330 /nfs/dbraw/zinc/96/93/30/786969330.db2.gz DNJUFSKEFDMFCV-HUUCEWRRSA-N 1 1 336.436 0.008 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001073690109 786974081 /nfs/dbraw/zinc/97/40/81/786974081.db2.gz MKAFSQFMRPERFV-LBPRGKRZSA-N 1 1 328.376 0.197 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001073689873 786974976 /nfs/dbraw/zinc/97/49/76/786974976.db2.gz FKVFUHZSHFVSOR-LBPRGKRZSA-N 1 1 328.376 0.197 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001073689873 786974981 /nfs/dbraw/zinc/97/49/81/786974981.db2.gz FKVFUHZSHFVSOR-LBPRGKRZSA-N 1 1 328.376 0.197 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001073703077 787007281 /nfs/dbraw/zinc/00/72/81/787007281.db2.gz DOUZVXRYJVGTMO-CABCVRRESA-N 1 1 331.420 0.071 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001073703077 787007287 /nfs/dbraw/zinc/00/72/87/787007287.db2.gz DOUZVXRYJVGTMO-CABCVRRESA-N 1 1 331.420 0.071 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001073727624 787071978 /nfs/dbraw/zinc/07/19/78/787071978.db2.gz ZBTLATCUEPGUGW-HNNXBMFYSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001073741557 787097585 /nfs/dbraw/zinc/09/75/85/787097585.db2.gz VRNLVAKUNGVTKY-ZBFHGGJFSA-N 1 1 330.432 0.365 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001073741557 787097593 /nfs/dbraw/zinc/09/75/93/787097593.db2.gz VRNLVAKUNGVTKY-ZBFHGGJFSA-N 1 1 330.432 0.365 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)CC2 ZINC001073745906 787111130 /nfs/dbraw/zinc/11/11/30/787111130.db2.gz KPGTYUKMHALENV-GDBMZVCRSA-N 1 1 331.420 0.485 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001073747580 787118104 /nfs/dbraw/zinc/11/81/04/787118104.db2.gz NIAPWHYRFTVHOV-UONOGXRCSA-N 1 1 340.493 0.938 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001074511338 787130675 /nfs/dbraw/zinc/13/06/75/787130675.db2.gz DVRGLRXUMXRUDH-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2nnn(CC)c2CC)C1 ZINC001073763205 787152227 /nfs/dbraw/zinc/15/22/27/787152227.db2.gz YLGJXTBZBOSQOH-CQSZACIVSA-N 1 1 333.436 0.704 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001073764857 787157540 /nfs/dbraw/zinc/15/75/40/787157540.db2.gz MMNIBLRJHANIDC-AEFFLSMTSA-N 1 1 344.459 0.984 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001073772520 787173524 /nfs/dbraw/zinc/17/35/24/787173524.db2.gz QMSZJIHBUAAYAB-AWEZNQCLSA-N 1 1 346.431 0.886 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001073772263 787174311 /nfs/dbraw/zinc/17/43/11/787174311.db2.gz JNQPXDZMHKODQT-ZDUSSCGKSA-N 1 1 333.388 0.640 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](C[C@@H](C)O)CCCO2)cc1 ZINC001073801495 787229693 /nfs/dbraw/zinc/22/96/93/787229693.db2.gz MOVDKQTXEWCHCE-QAPCUYQASA-N 1 1 346.427 0.900 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[N@@H+](CCCF)CCCO2)nn1 ZINC001073807455 787238773 /nfs/dbraw/zinc/23/87/73/787238773.db2.gz PMDOWLMTJRVZPD-ZDUSSCGKSA-N 1 1 325.388 0.644 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001074565535 787271471 /nfs/dbraw/zinc/27/14/71/787271471.db2.gz LFSUPBYEDMVTRV-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 ZINC001073847625 787344864 /nfs/dbraw/zinc/34/48/64/787344864.db2.gz FQNJUHAIUYMRIM-HUUCEWRRSA-N 1 1 330.432 0.745 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001073847625 787344869 /nfs/dbraw/zinc/34/48/69/787344869.db2.gz FQNJUHAIUYMRIM-HUUCEWRRSA-N 1 1 330.432 0.745 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001073847625 787344877 /nfs/dbraw/zinc/34/48/77/787344877.db2.gz FQNJUHAIUYMRIM-HUUCEWRRSA-N 1 1 330.432 0.745 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001073853513 787365338 /nfs/dbraw/zinc/36/53/38/787365338.db2.gz HPKVXTKFSGLDNO-HUUCEWRRSA-N 1 1 338.452 0.703 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(-c3nccs3)c2)C1 ZINC001073853676 787365700 /nfs/dbraw/zinc/36/57/00/787365700.db2.gz LJBMWBPOLSSLET-CQSZACIVSA-N 1 1 345.428 0.783 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(-c3nccs3)c2)C1 ZINC001073853676 787365707 /nfs/dbraw/zinc/36/57/07/787365707.db2.gz LJBMWBPOLSSLET-CQSZACIVSA-N 1 1 345.428 0.783 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001073853715 787367629 /nfs/dbraw/zinc/36/76/29/787367629.db2.gz MFQBEOKFWKPLDC-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001073859270 787379388 /nfs/dbraw/zinc/37/93/88/787379388.db2.gz FSLHXSZOYGFQPO-HOCLYGCPSA-N 1 1 330.432 0.745 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001073861949 787388263 /nfs/dbraw/zinc/38/82/63/787388263.db2.gz KMRQZXPWOYCRSS-LSDHHAIUSA-N 1 1 347.415 0.295 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)CCCO2)cn1 ZINC001073865350 787398901 /nfs/dbraw/zinc/39/89/01/787398901.db2.gz GJYIAOUOWKRATC-CVEARBPZSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)CCCO2)cn1 ZINC001073865350 787398907 /nfs/dbraw/zinc/39/89/07/787398907.db2.gz GJYIAOUOWKRATC-CVEARBPZSA-N 1 1 344.415 0.148 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001073870740 787406990 /nfs/dbraw/zinc/40/69/90/787406990.db2.gz BABQHRNWUHYZJS-AWEZNQCLSA-N 1 1 329.404 0.975 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001073870741 787407390 /nfs/dbraw/zinc/40/73/90/787407390.db2.gz BABQHRNWUHYZJS-CQSZACIVSA-N 1 1 329.404 0.975 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001073871973 787410861 /nfs/dbraw/zinc/41/08/61/787410861.db2.gz NFXUVKSVKMNUGB-CVEARBPZSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001073874211 787418004 /nfs/dbraw/zinc/41/80/04/787418004.db2.gz WABCKOGAOHYYPW-CQSZACIVSA-N 1 1 344.415 0.285 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 ZINC001074625416 787436399 /nfs/dbraw/zinc/43/63/99/787436399.db2.gz AIFWBSUGZXSNDZ-ZDUSSCGKSA-N 1 1 338.452 0.346 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001073886878 787440007 /nfs/dbraw/zinc/44/00/07/787440007.db2.gz ZUCZJKFKZZOURP-AWEZNQCLSA-N 1 1 340.383 0.789 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001073886878 787440010 /nfs/dbraw/zinc/44/00/10/787440010.db2.gz ZUCZJKFKZZOURP-AWEZNQCLSA-N 1 1 340.383 0.789 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001074634540 787462460 /nfs/dbraw/zinc/46/24/60/787462460.db2.gz FIADVRZUZNWMRL-KGLIPLIRSA-N 1 1 336.436 0.100 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001073896047 787465174 /nfs/dbraw/zinc/46/51/74/787465174.db2.gz JMSRDSGAQZAXDX-HOTGVXAUSA-N 1 1 325.453 0.490 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001073905542 787490368 /nfs/dbraw/zinc/49/03/68/787490368.db2.gz INHDRUYHXTYGCK-AWEZNQCLSA-N 1 1 330.388 0.025 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001073905542 787490369 /nfs/dbraw/zinc/49/03/69/787490369.db2.gz INHDRUYHXTYGCK-AWEZNQCLSA-N 1 1 330.388 0.025 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001074063134 787794720 /nfs/dbraw/zinc/79/47/20/787794720.db2.gz MLGQTKCSHMTWAD-NVXWUHKLSA-N 1 1 347.459 0.475 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072595421 788391456 /nfs/dbraw/zinc/39/14/56/788391456.db2.gz SEDHUXCWGDXZCW-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)C1=O ZINC001072639813 788482866 /nfs/dbraw/zinc/48/28/66/788482866.db2.gz NHPCKJPPYPLCBS-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001072721060 788647946 /nfs/dbraw/zinc/64/79/46/788647946.db2.gz BNHBNRPPMUCSSY-OAHLLOKOSA-N 1 1 325.416 0.713 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)CCO1 ZINC001072721556 788648049 /nfs/dbraw/zinc/64/80/49/788648049.db2.gz XHTXDZRHTNPYRQ-OAHLLOKOSA-N 1 1 345.443 0.181 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)CCO1 ZINC001072721556 788648052 /nfs/dbraw/zinc/64/80/52/788648052.db2.gz XHTXDZRHTNPYRQ-OAHLLOKOSA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cn([C@@H]4CCOC4)nc3C)C2)C1 ZINC001072735685 788670482 /nfs/dbraw/zinc/67/04/82/788670482.db2.gz LWDQROBVKHQLGQ-OAHLLOKOSA-N 1 1 328.416 0.934 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cc[nH]c4)C3)C2)C1=O ZINC001072769229 788758024 /nfs/dbraw/zinc/75/80/24/788758024.db2.gz XRESZLYZEHHDRQ-HNNXBMFYSA-N 1 1 328.416 0.950 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001073053686 789352996 /nfs/dbraw/zinc/35/29/96/789352996.db2.gz RJKPTAUQNIEZDU-ZDUSSCGKSA-N 1 1 327.450 0.131 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)C#CC3CC3)CC2)C1 ZINC001073065461 789377388 /nfs/dbraw/zinc/37/73/88/789377388.db2.gz LSRGULOCLUOYOR-MRXNPFEDSA-N 1 1 347.459 0.618 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)C#CC3CC3)CC2)C1 ZINC001073065461 789377396 /nfs/dbraw/zinc/37/73/96/789377396.db2.gz LSRGULOCLUOYOR-MRXNPFEDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC001073083475 789410410 /nfs/dbraw/zinc/41/04/10/789410410.db2.gz CDXMZLIRXKVXMT-UHFFFAOYSA-N 1 1 328.416 0.418 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)C1 ZINC001073089535 789424746 /nfs/dbraw/zinc/42/47/46/789424746.db2.gz SAEGAQVAKAPDNE-CQSZACIVSA-N 1 1 329.404 0.096 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC001073111294 789459315 /nfs/dbraw/zinc/45/93/15/789459315.db2.gz XRKGGDVPFVDEJS-AWEZNQCLSA-N 1 1 329.404 0.411 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)Cc4nnc[nH]4)C3)C2)cc1 ZINC001073112321 789461933 /nfs/dbraw/zinc/46/19/33/789461933.db2.gz WGFVMPSSQUNERB-UHFFFAOYSA-N 1 1 336.399 0.953 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC3(CN(C(=O)Cc4ncn[nH]4)C3)C2)cc1 ZINC001073112321 789461937 /nfs/dbraw/zinc/46/19/37/789461937.db2.gz WGFVMPSSQUNERB-UHFFFAOYSA-N 1 1 336.399 0.953 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)Cc4ncn[nH]4)C3)C2)cc1 ZINC001073112321 789461940 /nfs/dbraw/zinc/46/19/40/789461940.db2.gz WGFVMPSSQUNERB-UHFFFAOYSA-N 1 1 336.399 0.953 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(=O)NC)C3)nc1 ZINC001073137782 789510663 /nfs/dbraw/zinc/51/06/63/789510663.db2.gz KNYQAPOCMLCXMA-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)cc1F ZINC001075632743 789596808 /nfs/dbraw/zinc/59/68/08/789596808.db2.gz KHQPPLSCWGHBBX-DZGCQCFKSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)cc1F ZINC001075632743 789596816 /nfs/dbraw/zinc/59/68/16/789596816.db2.gz KHQPPLSCWGHBBX-DZGCQCFKSA-N 1 1 330.363 0.605 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001073412196 789804095 /nfs/dbraw/zinc/80/40/95/789804095.db2.gz FUADSXSBWCRRQD-CYBMUJFWSA-N 1 1 334.420 0.475 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001069494952 789862643 /nfs/dbraw/zinc/86/26/43/789862643.db2.gz IDPMIXLPCDNUGC-KBPBESRZSA-N 1 1 339.403 0.672 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(c2nccnc2C#N)CC1 ZINC001069830840 790064409 /nfs/dbraw/zinc/06/44/09/790064409.db2.gz HUCRBSIAHHHGLQ-UKRRQHHQSA-N 1 1 340.431 0.799 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)c2C1 ZINC001069860055 790111711 /nfs/dbraw/zinc/11/17/11/790111711.db2.gz BAMIYLOGDJDXKV-MRXNPFEDSA-N 1 1 329.448 0.821 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)c2C1 ZINC001069860679 790113156 /nfs/dbraw/zinc/11/31/56/790113156.db2.gz DMKWDUUYWWZROG-RDJZCZTQSA-N 1 1 341.459 0.823 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864168 790119963 /nfs/dbraw/zinc/11/99/63/790119963.db2.gz CSUUOMDOFDOEFP-RHSMWYFYSA-N 1 1 345.447 0.057 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864168 790119967 /nfs/dbraw/zinc/11/99/67/790119967.db2.gz CSUUOMDOFDOEFP-RHSMWYFYSA-N 1 1 345.447 0.057 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@@H]3CCCC[N@H+]3C)c2C1 ZINC001069865023 790121321 /nfs/dbraw/zinc/12/13/21/790121321.db2.gz RKUVGQXVBCKZDH-INIZCTEOSA-N 1 1 329.448 0.823 20 30 ECEDMO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1n1ccnn1 ZINC001069884681 790152174 /nfs/dbraw/zinc/15/21/74/790152174.db2.gz WKSGCIQZMSDUIT-SJORKVTESA-N 1 1 340.387 0.742 20 30 ECEDMO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1n1ccnn1 ZINC001069884681 790152176 /nfs/dbraw/zinc/15/21/76/790152176.db2.gz WKSGCIQZMSDUIT-SJORKVTESA-N 1 1 340.387 0.742 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001069920395 790191213 /nfs/dbraw/zinc/19/12/13/790191213.db2.gz KMVRULBCXQXVMX-OLZOCXBDSA-N 1 1 331.380 0.130 20 30 ECEDMO C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930409 790203352 /nfs/dbraw/zinc/20/33/52/790203352.db2.gz HUKNKKBWYBLZRA-FPCVCCKLSA-N 1 1 332.452 0.536 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC)C[C@@H]1n1ccnn1 ZINC001069949117 790228827 /nfs/dbraw/zinc/22/88/27/790228827.db2.gz DKHVGAOHJZATIC-PMPSAXMXSA-N 1 1 330.436 0.127 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001069949333 790228985 /nfs/dbraw/zinc/22/89/85/790228985.db2.gz RMGHTBAVATVIPD-XOUADPBQSA-N 1 1 339.403 0.170 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001069951544 790232650 /nfs/dbraw/zinc/23/26/50/790232650.db2.gz VTYSYNSRUHDPGZ-KGLIPLIRSA-N 1 1 332.433 0.895 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069955638 790238134 /nfs/dbraw/zinc/23/81/34/790238134.db2.gz FVJFKFHZCUVIRD-JKIFEVAISA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069955638 790238140 /nfs/dbraw/zinc/23/81/40/790238140.db2.gz FVJFKFHZCUVIRD-JKIFEVAISA-N 1 1 346.435 0.112 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cncc(OC)c2C)[C@@H](n2ccnn2)C1 ZINC001069958758 790241016 /nfs/dbraw/zinc/24/10/16/790241016.db2.gz LQWZRQVIGYGCOG-CABCVRRESA-N 1 1 342.403 0.831 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cncc(OC)c2C)[C@@H](n2ccnn2)C1 ZINC001069958758 790241021 /nfs/dbraw/zinc/24/10/21/790241021.db2.gz LQWZRQVIGYGCOG-CABCVRRESA-N 1 1 342.403 0.831 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001068873614 791318183 /nfs/dbraw/zinc/31/81/83/791318183.db2.gz GIMATLNSMOUNHL-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1C)CO2 ZINC001068873636 791318285 /nfs/dbraw/zinc/31/82/85/791318285.db2.gz CLIHGYVMMMTLGW-OAHLLOKOSA-N 1 1 344.415 0.481 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1C)CO2 ZINC001068873635 791318507 /nfs/dbraw/zinc/31/85/07/791318507.db2.gz CLIHGYVMMMTLGW-HNNXBMFYSA-N 1 1 344.415 0.481 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068944640 791479221 /nfs/dbraw/zinc/47/92/21/791479221.db2.gz JXJXSWFLEAXXJE-KBPBESRZSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)CO2 ZINC001069041006 791638894 /nfs/dbraw/zinc/63/88/94/791638894.db2.gz SDFJQSUBNYCPHS-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119569 791721049 /nfs/dbraw/zinc/72/10/49/791721049.db2.gz VKZQCOZUKQGYFF-KBPBESRZSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001066675584 791968597 /nfs/dbraw/zinc/96/85/97/791968597.db2.gz NLCAEYFRKZZIMO-WMLDXEAASA-N 1 1 343.431 0.934 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066697709 792013718 /nfs/dbraw/zinc/01/37/18/792013718.db2.gz ATTUADFXYPGXHS-WMLDXEAASA-N 1 1 338.415 0.836 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccnc2C#N)CC1 ZINC001066728781 792053671 /nfs/dbraw/zinc/05/36/71/792053671.db2.gz GDHLFXMBHZMIIS-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)CC1 ZINC001066729979 792055802 /nfs/dbraw/zinc/05/58/02/792055802.db2.gz QBHLYPVYOSIPDX-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066736372 792069631 /nfs/dbraw/zinc/06/96/31/792069631.db2.gz LRKJWYOOEUWWRU-ZIAGYGMSSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066736372 792069644 /nfs/dbraw/zinc/06/96/44/792069644.db2.gz LRKJWYOOEUWWRU-ZIAGYGMSSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)CC2)C1 ZINC001066737144 792072802 /nfs/dbraw/zinc/07/28/02/792072802.db2.gz ZXDMFKCZQWOPRB-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)CC2)C1 ZINC001066737144 792072812 /nfs/dbraw/zinc/07/28/12/792072812.db2.gz ZXDMFKCZQWOPRB-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2ccc(C#N)nn2)C1 ZINC001066890283 792288969 /nfs/dbraw/zinc/28/89/69/792288969.db2.gz ITAMKIQPVXKOBY-PBHICJAKSA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(Nc3ccncc3C#N)C2)C1 ZINC001066905859 792338185 /nfs/dbraw/zinc/33/81/85/792338185.db2.gz CGYNGFWNEGGAEQ-KBXCAEBGSA-N 1 1 343.431 0.092 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CC(CNc3ccnc(C#N)n3)C2)C1 ZINC001067856970 792381727 /nfs/dbraw/zinc/38/17/27/792381727.db2.gz VAVHTKOHXPJPEW-HSBZDZAISA-N 1 1 328.420 0.419 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067895358 792436166 /nfs/dbraw/zinc/43/61/66/792436166.db2.gz BYOSWUYJKRGNCL-YMAMQOFZSA-N 1 1 342.447 0.951 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)CC2(C)C)C1 ZINC001068102071 792671974 /nfs/dbraw/zinc/67/19/74/792671974.db2.gz GYZIAHAKMJNKIH-JKSUJKDBSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)CC2(C)C)C1 ZINC001068102071 792671979 /nfs/dbraw/zinc/67/19/79/792671979.db2.gz GYZIAHAKMJNKIH-JKSUJKDBSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3ccc(C#N)nc3)CC2(C)C)C1 ZINC001068102068 792672360 /nfs/dbraw/zinc/67/23/60/792672360.db2.gz GYZIAHAKMJNKIH-CVEARBPZSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3ccc(C#N)nc3)CC2(C)C)C1 ZINC001068102068 792672366 /nfs/dbraw/zinc/67/23/66/792672366.db2.gz GYZIAHAKMJNKIH-CVEARBPZSA-N 1 1 343.431 0.615 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001067080745 792677468 /nfs/dbraw/zinc/67/74/68/792677468.db2.gz VCQRGJYYUXJFBF-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)CCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001067080745 792677473 /nfs/dbraw/zinc/67/74/73/792677473.db2.gz VCQRGJYYUXJFBF-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO CC#CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001067081905 792680241 /nfs/dbraw/zinc/68/02/41/792680241.db2.gz YUIKUIUVVBTQFC-MRXNPFEDSA-N 1 1 337.464 0.818 20 30 ECEDMO CC#CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001067081905 792680242 /nfs/dbraw/zinc/68/02/42/792680242.db2.gz YUIKUIUVVBTQFC-MRXNPFEDSA-N 1 1 337.464 0.818 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)CC2(C)C)C1 ZINC001068113429 792693248 /nfs/dbraw/zinc/69/32/48/792693248.db2.gz JHEUOUYHYAGECH-GXTWGEPZSA-N 1 1 328.420 0.631 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001067293221 792947364 /nfs/dbraw/zinc/94/73/64/792947364.db2.gz OVYROAOUPLQMRU-KRWDZBQOSA-N 1 1 336.436 0.826 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1C ZINC001067400822 793101532 /nfs/dbraw/zinc/10/15/32/793101532.db2.gz GNIICZUBBCJDFO-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001067430095 793145521 /nfs/dbraw/zinc/14/55/21/793145521.db2.gz MDSDBQMVMAZNCE-CVEARBPZSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001067431083 793147753 /nfs/dbraw/zinc/14/77/53/793147753.db2.gz MGWFMAYIJMQGTP-OAHLLOKOSA-N 1 1 334.420 0.537 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068390046 793186365 /nfs/dbraw/zinc/18/63/65/793186365.db2.gz WSVRXCUMGGCALI-HZPDHXFCSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001068398931 793215442 /nfs/dbraw/zinc/21/54/42/793215442.db2.gz JVFPWFSKKXFSBY-HOTGVXAUSA-N 1 1 349.475 0.980 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCOC3(CN(C(=O)C#CC(C)(C)C)C3)C2)C1 ZINC001068399149 793217584 /nfs/dbraw/zinc/21/75/84/793217584.db2.gz RRFZFMBUKNALPX-HNNXBMFYSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001068461726 793352199 /nfs/dbraw/zinc/35/21/99/793352199.db2.gz USSJZHICLKRBKT-UHFFFAOYSA-N 1 1 335.448 0.572 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001267465453 837469941 /nfs/dbraw/zinc/46/99/41/837469941.db2.gz GGMQJEJHOPHAGF-HOTGVXAUSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N(C)CC[NH2+][C@H](C)c1ncccn1 ZINC001267473440 837497901 /nfs/dbraw/zinc/49/79/01/837497901.db2.gz GMADBKOICXSPOB-CYBMUJFWSA-N 1 1 348.451 0.849 20 30 ECEDMO C=CC[N@H+](CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(C)C ZINC001267510782 837602507 /nfs/dbraw/zinc/60/25/07/837602507.db2.gz BETCZESPCLTVCW-HNNXBMFYSA-N 1 1 331.482 0.861 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cncnc2)C1 ZINC001267524565 837686997 /nfs/dbraw/zinc/68/69/97/837686997.db2.gz VDTHJZVDILMKRU-KGLIPLIRSA-N 1 1 329.404 0.056 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001267548283 837743194 /nfs/dbraw/zinc/74/31/94/837743194.db2.gz BZOXBHFRWCCOBP-CQSZACIVSA-N 1 1 331.482 0.767 20 30 ECEDMO CCOc1cc(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)on1 ZINC001267551710 837753215 /nfs/dbraw/zinc/75/32/15/837753215.db2.gz HACZMUIMBLQJTP-GFCCVEGCSA-N 1 1 349.391 0.155 20 30 ECEDMO Cc1cnccc1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267554749 837761081 /nfs/dbraw/zinc/76/10/81/837761081.db2.gz BMOKIIDXDFQKLJ-AWEZNQCLSA-N 1 1 329.404 0.472 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)C(F)(F)F)C1 ZINC001267561589 837772701 /nfs/dbraw/zinc/77/27/01/837772701.db2.gz GMOFOSFERUYPAT-RYUDHWBXSA-N 1 1 333.354 0.762 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)C2(COC)CCC2)C1 ZINC001267560699 837771859 /nfs/dbraw/zinc/77/18/59/837771859.db2.gz LOYOKWGELJABHI-HOTGVXAUSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001267562448 837776413 /nfs/dbraw/zinc/77/64/13/837776413.db2.gz VRWYBJJXYYBZDZ-CVEARBPZSA-N 1 1 337.464 0.934 20 30 ECEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001267567525 837787753 /nfs/dbraw/zinc/78/77/53/837787753.db2.gz NWIHYDQPRFLYOB-CQSZACIVSA-N 1 1 348.447 0.492 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cnn(CC)c2C)C1 ZINC001267568833 837792685 /nfs/dbraw/zinc/79/26/85/837792685.db2.gz MFFNXUPZDFXYHF-OAHLLOKOSA-N 1 1 347.463 0.955 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC(C)C)C(N)=O)C1 ZINC001267571724 837805575 /nfs/dbraw/zinc/80/55/75/837805575.db2.gz RIBZFAXTTQSSGL-HZPDHXFCSA-N 1 1 337.464 0.612 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2snnc2C)C1 ZINC001267576903 837832668 /nfs/dbraw/zinc/83/26/68/837832668.db2.gz BASWVLQXOVQHPO-QWHCGFSZSA-N 1 1 349.460 0.378 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001266248772 835554752 /nfs/dbraw/zinc/55/47/52/835554752.db2.gz QMDYDXCXJDRABV-DZGCQCFKSA-N 1 1 327.450 0.062 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCCC[NH+]1CCN(Cc2nc(C)no2)CC1 ZINC001266262069 835571808 /nfs/dbraw/zinc/57/18/08/835571808.db2.gz AVBIBRGPOUDDGV-AWEZNQCLSA-N 1 1 349.435 0.040 20 30 ECEDMO Cc1nonc1CN1CC[NH+](CCCNC(=O)C#CC2CC2)CC1 ZINC001266262803 835573547 /nfs/dbraw/zinc/57/35/47/835573547.db2.gz PCGORBPPWLUWFC-UHFFFAOYSA-N 1 1 331.420 0.415 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccccc2)CC1 ZINC001266267235 835584938 /nfs/dbraw/zinc/58/49/38/835584938.db2.gz UIDFUIRYMXYKBM-UHFFFAOYSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCCOc1ccc(C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)cc1 ZINC001266275209 835598832 /nfs/dbraw/zinc/59/88/32/835598832.db2.gz QKOXUOOUNZLKAW-MRXNPFEDSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CCCOc1ccc(C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)cc1 ZINC001266275209 835598842 /nfs/dbraw/zinc/59/88/42/835598842.db2.gz QKOXUOOUNZLKAW-MRXNPFEDSA-N 1 1 329.400 0.639 20 30 ECEDMO Cc1ccncc1C[NH+]1CCN(CCNC(=O)CSCC#N)CC1 ZINC001266279307 835606328 /nfs/dbraw/zinc/60/63/28/835606328.db2.gz LOFWKSINFDWLAO-UHFFFAOYSA-N 1 1 347.488 0.881 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1nccc2cccnc21 ZINC001266282945 835612499 /nfs/dbraw/zinc/61/24/99/835612499.db2.gz YCOAVKILHODQMS-CYBMUJFWSA-N 1 1 339.399 0.429 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1nccc2cccnc21 ZINC001266282945 835612501 /nfs/dbraw/zinc/61/25/01/835612501.db2.gz YCOAVKILHODQMS-CYBMUJFWSA-N 1 1 339.399 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)C(=O)N(C)C(C)C ZINC001266284354 835617303 /nfs/dbraw/zinc/61/73/03/835617303.db2.gz BSWYWPFZCWSRMT-HOTGVXAUSA-N 1 1 336.480 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)C(=O)N(C)C(C)C ZINC001266284354 835617308 /nfs/dbraw/zinc/61/73/08/835617308.db2.gz BSWYWPFZCWSRMT-HOTGVXAUSA-N 1 1 336.480 0.387 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2cnc3[nH]ccc3c2)CC1 ZINC001266285602 835620222 /nfs/dbraw/zinc/62/02/22/835620222.db2.gz FZESXSGPLSHXEK-UHFFFAOYSA-N 1 1 325.416 0.885 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)C[C@H]2CCOC[C@H]2OCC)CC1 ZINC001266288041 835630755 /nfs/dbraw/zinc/63/07/55/835630755.db2.gz OYTKFVQMHBELND-IAGOWNOFSA-N 1 1 337.464 0.185 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2nc(C)c(C)[nH]c2=O)CC1 ZINC001266288253 835631098 /nfs/dbraw/zinc/63/10/98/835631098.db2.gz USUBIXWKURYNHG-UHFFFAOYSA-N 1 1 331.420 0.170 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1ccc(OC)c(F)c1 ZINC001266295614 835642491 /nfs/dbraw/zinc/64/24/91/835642491.db2.gz RRJVIBFIZFYQEF-ZDUSSCGKSA-N 1 1 349.406 0.563 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc(OC)c(F)c1 ZINC001266295614 835642493 /nfs/dbraw/zinc/64/24/93/835642493.db2.gz RRJVIBFIZFYQEF-ZDUSSCGKSA-N 1 1 349.406 0.563 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266308598 835674509 /nfs/dbraw/zinc/67/45/09/835674509.db2.gz YLXFBRTYFISKRD-JKSUJKDBSA-N 1 1 334.464 0.472 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001266319469 835688936 /nfs/dbraw/zinc/68/89/36/835688936.db2.gz MJMGYCXJCVUDHB-LSDHHAIUSA-N 1 1 342.443 0.994 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001266319469 835688940 /nfs/dbraw/zinc/68/89/40/835688940.db2.gz MJMGYCXJCVUDHB-LSDHHAIUSA-N 1 1 342.443 0.994 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)COc2cc(C)on2)C1 ZINC001266324897 835700739 /nfs/dbraw/zinc/70/07/39/835700739.db2.gz GBWIAEWSJLAZLN-CHWSQXEVSA-N 1 1 336.392 0.243 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)COc2cc(C)on2)C1 ZINC001266324897 835700744 /nfs/dbraw/zinc/70/07/44/835700744.db2.gz GBWIAEWSJLAZLN-CHWSQXEVSA-N 1 1 336.392 0.243 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C(C)(F)F ZINC001266326834 835704766 /nfs/dbraw/zinc/70/47/66/835704766.db2.gz NNCQTPXWYUQKEF-SNVBAGLBSA-N 1 1 334.367 0.338 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C(C)(F)F ZINC001266326834 835704773 /nfs/dbraw/zinc/70/47/73/835704773.db2.gz NNCQTPXWYUQKEF-SNVBAGLBSA-N 1 1 334.367 0.338 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001266342028 835727837 /nfs/dbraw/zinc/72/78/37/835727837.db2.gz OHJLZWUDBQWSQN-IRXDYDNUSA-N 1 1 348.491 0.719 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001266356656 835761643 /nfs/dbraw/zinc/76/16/43/835761643.db2.gz VYHJARNIMHOFPB-AWEZNQCLSA-N 1 1 327.388 0.422 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001266356656 835761651 /nfs/dbraw/zinc/76/16/51/835761651.db2.gz VYHJARNIMHOFPB-AWEZNQCLSA-N 1 1 327.388 0.422 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)CCc2c(C)n[nH]c2C)C1=O ZINC001266357649 835763376 /nfs/dbraw/zinc/76/33/76/835763376.db2.gz CVJQVFRXYYDGFI-INIZCTEOSA-N 1 1 347.463 0.794 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)CCc2c(C)n[nH]c2C)C1=O ZINC001266357649 835763384 /nfs/dbraw/zinc/76/33/84/835763384.db2.gz CVJQVFRXYYDGFI-INIZCTEOSA-N 1 1 347.463 0.794 20 30 ECEDMO C[N@@H+](CCNC(=O)CN1C(=O)CCC1=O)Cc1ccc(C#N)cc1 ZINC001266358555 835765679 /nfs/dbraw/zinc/76/56/79/835765679.db2.gz WFNGASDIRVKWFT-UHFFFAOYSA-N 1 1 328.372 0.255 20 30 ECEDMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CC#Cc1ccccc1 ZINC001266362431 835774078 /nfs/dbraw/zinc/77/40/78/835774078.db2.gz IESFKTCUPNCVRO-CYBMUJFWSA-N 1 1 330.388 0.060 20 30 ECEDMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CC#Cc1ccccc1 ZINC001266362431 835774089 /nfs/dbraw/zinc/77/40/89/835774089.db2.gz IESFKTCUPNCVRO-CYBMUJFWSA-N 1 1 330.388 0.060 20 30 ECEDMO CCc1ocnc1C(=O)N[C@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001266368314 835780583 /nfs/dbraw/zinc/78/05/83/835780583.db2.gz HVDANRREEAVFSV-ZDUSSCGKSA-N 1 1 345.403 0.461 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)c2ncccn2)CC1 ZINC001266390482 835798730 /nfs/dbraw/zinc/79/87/30/835798730.db2.gz ZMKHWQZPPSZXRD-UHFFFAOYSA-N 1 1 343.431 0.543 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cncc(OC)c1C ZINC001266399041 835807349 /nfs/dbraw/zinc/80/73/49/835807349.db2.gz ITKVEZUXDFQAPK-UHFFFAOYSA-N 1 1 332.404 0.200 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cncc(OC)c1C ZINC001266399041 835807355 /nfs/dbraw/zinc/80/73/55/835807355.db2.gz ITKVEZUXDFQAPK-UHFFFAOYSA-N 1 1 332.404 0.200 20 30 ECEDMO CC[N@@H+](CCNC(=O)C1(C(N)=O)CC1)Cc1ccc(C#N)c(F)c1 ZINC001266413478 835819475 /nfs/dbraw/zinc/81/94/75/835819475.db2.gz OOKAUZZQWUFYEU-UHFFFAOYSA-N 1 1 332.379 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC)[C@@H]2CCCN(C)C2=O)cn1 ZINC001266432099 835835761 /nfs/dbraw/zinc/83/57/61/835835761.db2.gz RHRMTYOTNXPFJQ-MRXNPFEDSA-N 1 1 328.416 0.735 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001266459037 835862192 /nfs/dbraw/zinc/86/21/92/835862192.db2.gz IQELWECEKKZEEE-LSDHHAIUSA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC001266461948 835864542 /nfs/dbraw/zinc/86/45/42/835864542.db2.gz ZSBVJPZQIXJAQH-CQSZACIVSA-N 1 1 346.435 0.210 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC001266461948 835864547 /nfs/dbraw/zinc/86/45/47/835864547.db2.gz ZSBVJPZQIXJAQH-CQSZACIVSA-N 1 1 346.435 0.210 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001266467982 835869021 /nfs/dbraw/zinc/86/90/21/835869021.db2.gz HPADSGNQQOURBK-CYBMUJFWSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001266467982 835869025 /nfs/dbraw/zinc/86/90/25/835869025.db2.gz HPADSGNQQOURBK-CYBMUJFWSA-N 1 1 335.354 0.908 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)COc1cc(C)on1 ZINC001266468792 835871308 /nfs/dbraw/zinc/87/13/08/835871308.db2.gz YFZZVODWOCVAJL-CYBMUJFWSA-N 1 1 336.392 0.245 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1cc(C)on1 ZINC001266468792 835871319 /nfs/dbraw/zinc/87/13/19/835871319.db2.gz YFZZVODWOCVAJL-CYBMUJFWSA-N 1 1 336.392 0.245 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001266469981 835872744 /nfs/dbraw/zinc/87/27/44/835872744.db2.gz XJRJORMLIRHMLT-ZIAGYGMSSA-N 1 1 331.482 0.671 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nccc1C ZINC001266482432 835881885 /nfs/dbraw/zinc/88/18/85/835881885.db2.gz BKMFOWKBLZYMKO-LSDHHAIUSA-N 1 1 333.436 0.463 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1nccc1C ZINC001266482432 835881889 /nfs/dbraw/zinc/88/18/89/835881889.db2.gz BKMFOWKBLZYMKO-LSDHHAIUSA-N 1 1 333.436 0.463 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)NC(=O)NC)C1 ZINC001266482953 835882606 /nfs/dbraw/zinc/88/26/06/835882606.db2.gz LGTVUGPQTSIMDK-OLZOCXBDSA-N 1 1 336.436 0.767 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)NC(=O)NC)C1 ZINC001266482953 835882610 /nfs/dbraw/zinc/88/26/10/835882610.db2.gz LGTVUGPQTSIMDK-OLZOCXBDSA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncn2nccc2c1=O ZINC001266483163 835883432 /nfs/dbraw/zinc/88/34/32/835883432.db2.gz PIIUTEATODCBSG-CQSZACIVSA-N 1 1 344.419 0.438 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](OC)C1CCCC1 ZINC001266491979 835891787 /nfs/dbraw/zinc/89/17/87/835891787.db2.gz FESFNKSXYNUHLT-WBVHZDCISA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](OC)C1CCCC1 ZINC001266491979 835891790 /nfs/dbraw/zinc/89/17/90/835891790.db2.gz FESFNKSXYNUHLT-WBVHZDCISA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CC[N@H+](CCn2c(C)csc2=O)C1 ZINC001266506572 835907903 /nfs/dbraw/zinc/90/79/03/835907903.db2.gz YHWDYPXDLXLITO-CQSZACIVSA-N 1 1 339.461 0.859 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001266507631 835910937 /nfs/dbraw/zinc/91/09/37/835910937.db2.gz AEUPVZCUYUZQHE-STQMWFEESA-N 1 1 327.388 0.076 20 30 ECEDMO O=C(C#CC1CC1)NC[C@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001266511131 835918483 /nfs/dbraw/zinc/91/84/83/835918483.db2.gz JTJTVYBLHZMLEF-HZPDHXFCSA-N 1 1 338.473 0.663 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC001266518180 835929840 /nfs/dbraw/zinc/92/98/40/835929840.db2.gz VYWWYVFZODEUJM-CQSZACIVSA-N 1 1 345.447 0.573 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC001266518179 835930159 /nfs/dbraw/zinc/93/01/59/835930159.db2.gz VYWWYVFZODEUJM-AWEZNQCLSA-N 1 1 345.447 0.573 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccc3ncnn32)C1 ZINC001266520186 835933157 /nfs/dbraw/zinc/93/31/57/835933157.db2.gz HPYQHTHAZWSLLG-CYBMUJFWSA-N 1 1 342.403 0.083 20 30 ECEDMO CC(C)n1cnc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001266523696 835938355 /nfs/dbraw/zinc/93/83/55/835938355.db2.gz SUBGXJHJNBTOGV-ZDUSSCGKSA-N 1 1 332.408 0.155 20 30 ECEDMO CC(C)n1cnc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001266523696 835938360 /nfs/dbraw/zinc/93/83/60/835938360.db2.gz SUBGXJHJNBTOGV-ZDUSSCGKSA-N 1 1 332.408 0.155 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC001266523132 835938720 /nfs/dbraw/zinc/93/87/20/835938720.db2.gz HFKRVGPQHUWFTB-KGLIPLIRSA-N 1 1 344.415 0.280 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001266535440 835953830 /nfs/dbraw/zinc/95/38/30/835953830.db2.gz ZSHLSXZVXOKVIX-CWRNSKLLSA-N 1 1 341.415 0.263 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001266535440 835953833 /nfs/dbraw/zinc/95/38/33/835953833.db2.gz ZSHLSXZVXOKVIX-CWRNSKLLSA-N 1 1 341.415 0.263 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)Cc3cscn3)C2)C1=O ZINC001266537445 835956527 /nfs/dbraw/zinc/95/65/27/835956527.db2.gz LUTMSWDBFNYLQR-UKRRQHHQSA-N 1 1 348.472 0.911 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001266537885 835957303 /nfs/dbraw/zinc/95/73/03/835957303.db2.gz UIVFMNNWFFXYHA-KBPBESRZSA-N 1 1 348.447 0.490 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2coc(CC3CC3)n2)C1 ZINC001266539373 835960548 /nfs/dbraw/zinc/96/05/48/835960548.db2.gz ALNBUWJXHMTSFV-AWEZNQCLSA-N 1 1 344.415 0.428 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC001266542062 835963356 /nfs/dbraw/zinc/96/33/56/835963356.db2.gz DJHLGWLQMFUSIJ-OLZOCXBDSA-N 1 1 339.399 0.505 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2conc2COC)C1 ZINC001266546799 835969032 /nfs/dbraw/zinc/96/90/32/835969032.db2.gz XJHXCCJNLXJQBL-STQMWFEESA-N 1 1 348.403 0.011 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCC)CCNC(=O)c2ncn(C)n2)C1=O ZINC001266560456 835988524 /nfs/dbraw/zinc/98/85/24/835988524.db2.gz NLJLAKISXSXQMI-ZDUSSCGKSA-N 1 1 334.424 0.044 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CCNC(=O)C1CC(C)C1)C1CC1 ZINC001266588378 836019169 /nfs/dbraw/zinc/01/91/69/836019169.db2.gz OUKTUNSKAJOXCE-UHFFFAOYSA-N 1 1 336.436 0.625 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCNC(=O)C1CC(C)C1)C1CC1 ZINC001266588378 836019179 /nfs/dbraw/zinc/01/91/79/836019179.db2.gz OUKTUNSKAJOXCE-UHFFFAOYSA-N 1 1 336.436 0.625 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cccc2c1OCC2)C1CC1 ZINC001266611448 836045276 /nfs/dbraw/zinc/04/52/76/836045276.db2.gz JYKIKLRFNSHNHT-UHFFFAOYSA-N 1 1 341.411 0.565 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cccc2c1OCC2)C1CC1 ZINC001266611448 836045278 /nfs/dbraw/zinc/04/52/78/836045278.db2.gz JYKIKLRFNSHNHT-UHFFFAOYSA-N 1 1 341.411 0.565 20 30 ECEDMO CNS(=O)(=O)CC(=O)NCC[N@H+](CC#Cc1ccccc1)C1CC1 ZINC001266619464 836056610 /nfs/dbraw/zinc/05/66/10/836056610.db2.gz OCMLTTYYBLMIGW-UHFFFAOYSA-N 1 1 349.456 0.168 20 30 ECEDMO CNS(=O)(=O)CC(=O)NCC[N@@H+](CC#Cc1ccccc1)C1CC1 ZINC001266619464 836056623 /nfs/dbraw/zinc/05/66/23/836056623.db2.gz OCMLTTYYBLMIGW-UHFFFAOYSA-N 1 1 349.456 0.168 20 30 ECEDMO C#CCOCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001266647927 836082378 /nfs/dbraw/zinc/08/23/78/836082378.db2.gz HKAMVATWMMZPQK-WTXIUTQJSA-N 1 1 333.432 0.417 20 30 ECEDMO CCn1nncc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC ZINC001266647815 836083177 /nfs/dbraw/zinc/08/31/77/836083177.db2.gz CWRGJDCFSJKUSB-GOOCMWNKSA-N 1 1 331.420 0.673 20 30 ECEDMO CC[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#CCOC)CCNC1=O ZINC001266650242 836085064 /nfs/dbraw/zinc/08/50/64/836085064.db2.gz MKLQVZPWDOYGPU-IHBAFOEMSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2[nH]ccc2C)C1 ZINC001266658890 836094939 /nfs/dbraw/zinc/09/49/39/836094939.db2.gz JSVJKZZCBOQYHY-JKSUJKDBSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]nc2C)C1 ZINC001266660592 836098754 /nfs/dbraw/zinc/09/87/54/836098754.db2.gz YQQSMKHGTYPDGJ-GOEBONIOSA-N 1 1 343.431 0.394 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001266742668 836226813 /nfs/dbraw/zinc/22/68/13/836226813.db2.gz DOXFWTRJTKCQLC-LSDHHAIUSA-N 1 1 333.436 0.796 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc(C)cn2)C1 ZINC001266743642 836229150 /nfs/dbraw/zinc/22/91/50/836229150.db2.gz PKCJNJBJIDHVTO-HNNXBMFYSA-N 1 1 333.436 0.322 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ncccn2)C1 ZINC001266763345 836266551 /nfs/dbraw/zinc/26/65/51/836266551.db2.gz CICLBIMAYHHJNH-KGLIPLIRSA-N 1 1 329.404 0.056 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001266790118 836305209 /nfs/dbraw/zinc/30/52/09/836305209.db2.gz CGNUPNHDRSFUFO-HUUCEWRRSA-N 1 1 345.447 0.308 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001266804086 836326784 /nfs/dbraw/zinc/32/67/84/836326784.db2.gz AYQYZHXNCSMKGM-OLZOCXBDSA-N 1 1 349.435 0.258 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CCc1ccnn1C ZINC001266843027 836369549 /nfs/dbraw/zinc/36/95/49/836369549.db2.gz ZFLBIXGSCMVABI-RDJZCZTQSA-N 1 1 332.448 0.972 20 30 ECEDMO COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001266848510 836377190 /nfs/dbraw/zinc/37/71/90/836377190.db2.gz BZDXDENZJBJKHQ-DLBZAZTESA-N 1 1 348.447 0.728 20 30 ECEDMO COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001266848510 836377200 /nfs/dbraw/zinc/37/72/00/836377200.db2.gz BZDXDENZJBJKHQ-DLBZAZTESA-N 1 1 348.447 0.728 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC ZINC001266848889 836378060 /nfs/dbraw/zinc/37/80/60/836378060.db2.gz HSUSRHZOFNNTHQ-PBHICJAKSA-N 1 1 325.453 0.932 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC ZINC001266848889 836378074 /nfs/dbraw/zinc/37/80/74/836378074.db2.gz HSUSRHZOFNNTHQ-PBHICJAKSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)COc1cccnc1 ZINC001266856301 836391237 /nfs/dbraw/zinc/39/12/37/836391237.db2.gz NSPUBRYVWJHDRM-OAHLLOKOSA-N 1 1 346.431 0.733 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)COc1cccnc1 ZINC001266856301 836391244 /nfs/dbraw/zinc/39/12/44/836391244.db2.gz NSPUBRYVWJHDRM-OAHLLOKOSA-N 1 1 346.431 0.733 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001266892114 836440130 /nfs/dbraw/zinc/44/01/30/836440130.db2.gz SYGCNQXTUXJFDF-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@H+](CCS(C)(=O)=O)C1 ZINC001266891643 836441816 /nfs/dbraw/zinc/44/18/16/836441816.db2.gz QDPQVJAGOKPVKQ-DZGCQCFKSA-N 1 1 326.462 0.661 20 30 ECEDMO C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@@H+](CCS(C)(=O)=O)C1 ZINC001266891643 836441821 /nfs/dbraw/zinc/44/18/21/836441821.db2.gz QDPQVJAGOKPVKQ-DZGCQCFKSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCn2ccnc2)C1 ZINC001266895625 836446429 /nfs/dbraw/zinc/44/64/29/836446429.db2.gz QNKQDZMOLPMYDN-CVEARBPZSA-N 1 1 345.447 0.239 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001266895442 836446834 /nfs/dbraw/zinc/44/68/34/836446834.db2.gz OGAMVRODXWLIOL-KGLIPLIRSA-N 1 1 332.404 0.250 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266897897 836449293 /nfs/dbraw/zinc/44/92/93/836449293.db2.gz QCPOAUGKCMBAPB-HZPDHXFCSA-N 1 1 346.475 0.048 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001266898544 836450725 /nfs/dbraw/zinc/45/07/25/836450725.db2.gz WPDXHMGLNLZASK-ZIAGYGMSSA-N 1 1 336.436 0.721 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)SC ZINC001266900435 836453297 /nfs/dbraw/zinc/45/32/97/836453297.db2.gz DUVASOJXNZWNQX-PDWCTOEPSA-N 1 1 325.478 0.865 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N[C@@H](C)CCC)C[C@H]21 ZINC001266900885 836455156 /nfs/dbraw/zinc/45/51/56/836455156.db2.gz PCFWZFUKBHKHAK-OXQIDUKASA-N 1 1 337.464 0.665 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N[C@@H](C)CCC)C[C@H]21 ZINC001266900885 836455161 /nfs/dbraw/zinc/45/51/61/836455161.db2.gz PCFWZFUKBHKHAK-OXQIDUKASA-N 1 1 337.464 0.665 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001266903124 836458461 /nfs/dbraw/zinc/45/84/61/836458461.db2.gz RYSZPCPLICYMSN-TVRAHDOYSA-N 1 1 347.459 0.683 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1CCCNC1=O)[NH2+]Cc1cc(F)ccc1C#N ZINC001266948120 836510979 /nfs/dbraw/zinc/51/09/79/836510979.db2.gz CTJLGWOMIKKRSB-NHYWBVRUSA-N 1 1 332.379 0.818 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H](C)[NH2+]Cc2cn(C)nn2)cc1 ZINC001266977320 836548975 /nfs/dbraw/zinc/54/89/75/836548975.db2.gz NKTJOJMZLOIUOZ-ZDUSSCGKSA-N 1 1 327.388 0.735 20 30 ECEDMO CCCCO[C@H](C)C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267099912 836769833 /nfs/dbraw/zinc/76/98/33/836769833.db2.gz FLBXMMXXTZDSKN-HUUCEWRRSA-N 1 1 338.452 0.754 20 30 ECEDMO CCCCO[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267099912 836769842 /nfs/dbraw/zinc/76/98/42/836769842.db2.gz FLBXMMXXTZDSKN-HUUCEWRRSA-N 1 1 338.452 0.754 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267103863 836779375 /nfs/dbraw/zinc/77/93/75/836779375.db2.gz IAHATAGQGJNYQO-OAHLLOKOSA-N 1 1 347.463 0.740 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267103863 836779380 /nfs/dbraw/zinc/77/93/80/836779380.db2.gz IAHATAGQGJNYQO-OAHLLOKOSA-N 1 1 347.463 0.740 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]([N@H+](C)CC(=O)NC(C)(C)C)C1 ZINC001267104355 836781579 /nfs/dbraw/zinc/78/15/79/836781579.db2.gz AWLVHAOXCPRDPI-HNNXBMFYSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NC(C)(C)C)C1 ZINC001267104355 836781586 /nfs/dbraw/zinc/78/15/86/836781586.db2.gz AWLVHAOXCPRDPI-HNNXBMFYSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCCCC)C1 ZINC001267106253 836786117 /nfs/dbraw/zinc/78/61/17/836786117.db2.gz PPOXKJJPEPMCAK-HOTGVXAUSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCCCC)C1 ZINC001267106253 836786122 /nfs/dbraw/zinc/78/61/22/836786122.db2.gz PPOXKJJPEPMCAK-HOTGVXAUSA-N 1 1 337.464 0.864 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)CCC(C)(F)F)C1 ZINC001267107619 836789420 /nfs/dbraw/zinc/78/94/20/836789420.db2.gz IIDGYQHLYOIMBA-LBPRGKRZSA-N 1 1 330.379 0.984 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)CCC(C)(F)F)C1 ZINC001267107619 836789425 /nfs/dbraw/zinc/78/94/25/836789425.db2.gz IIDGYQHLYOIMBA-LBPRGKRZSA-N 1 1 330.379 0.984 20 30 ECEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001267107692 836789994 /nfs/dbraw/zinc/78/99/94/836789994.db2.gz GTICZFAWTGVFQV-HNNXBMFYSA-N 1 1 343.493 0.911 20 30 ECEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001267108660 836792399 /nfs/dbraw/zinc/79/23/99/836792399.db2.gz RQSIJZOFJUCGKQ-HNNXBMFYSA-N 1 1 328.416 0.669 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001267112197 836800077 /nfs/dbraw/zinc/80/00/77/836800077.db2.gz PRGFAUVQDXGFPD-ZFWWWQNUSA-N 1 1 333.436 0.566 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccnc(F)c1 ZINC001267161850 836876854 /nfs/dbraw/zinc/87/68/54/836876854.db2.gz WULIDJIIJSDFNK-OAHLLOKOSA-N 1 1 346.406 0.945 20 30 ECEDMO C[C@H](C#N)C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1nnc2n1CCOC2 ZINC001267162692 836879731 /nfs/dbraw/zinc/87/97/31/836879731.db2.gz HONDBAZCACNFIB-ZIAGYGMSSA-N 1 1 346.435 0.829 20 30 ECEDMO C[C@H](C#N)C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1nnc2n1CCOC2 ZINC001267162692 836879737 /nfs/dbraw/zinc/87/97/37/836879737.db2.gz HONDBAZCACNFIB-ZIAGYGMSSA-N 1 1 346.435 0.829 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1nonc1C ZINC001267181407 836931608 /nfs/dbraw/zinc/93/16/08/836931608.db2.gz JGCOWNSYTIENMI-ZDUSSCGKSA-N 1 1 333.392 0.102 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cncc3[nH]cnc32)C1=O ZINC001267198241 836966491 /nfs/dbraw/zinc/96/64/91/836966491.db2.gz IUAHQROOXAITDN-CQSZACIVSA-N 1 1 342.403 0.406 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cncc3[nH]cnc32)C1=O ZINC001267198241 836966498 /nfs/dbraw/zinc/96/64/98/836966498.db2.gz IUAHQROOXAITDN-CQSZACIVSA-N 1 1 342.403 0.406 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1cnn2c1CCCC2 ZINC001267201118 836975139 /nfs/dbraw/zinc/97/51/39/836975139.db2.gz WHSWLGXPQAUZRI-AWEZNQCLSA-N 1 1 347.463 0.501 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1cnn2c1CCCC2 ZINC001267201118 836975147 /nfs/dbraw/zinc/97/51/47/836975147.db2.gz WHSWLGXPQAUZRI-AWEZNQCLSA-N 1 1 347.463 0.501 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cc3cccn3cn2)C1=O ZINC001267204089 836982069 /nfs/dbraw/zinc/98/20/69/836982069.db2.gz OXTJKMWSLMYYDK-MRXNPFEDSA-N 1 1 341.415 0.783 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cc3cccn3cn2)C1=O ZINC001267204089 836982080 /nfs/dbraw/zinc/98/20/80/836982080.db2.gz OXTJKMWSLMYYDK-MRXNPFEDSA-N 1 1 341.415 0.783 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)COc2ccccc2)C1=O ZINC001267227365 837026402 /nfs/dbraw/zinc/02/64/02/837026402.db2.gz NFILGICAJAOSMA-INIZCTEOSA-N 1 1 331.416 0.900 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)COc2ccccc2)C1=O ZINC001267227365 837026413 /nfs/dbraw/zinc/02/64/13/837026413.db2.gz NFILGICAJAOSMA-INIZCTEOSA-N 1 1 331.416 0.900 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1cnc(C)cn1)C(C)C ZINC001267228639 837027231 /nfs/dbraw/zinc/02/72/31/837027231.db2.gz VJVLFNDUWFNVEU-UHFFFAOYSA-N 1 1 331.420 0.365 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccc2oc(C)nc21 ZINC001267233793 837039011 /nfs/dbraw/zinc/03/90/11/837039011.db2.gz XQRDBYLQPXXCCK-GFCCVEGCSA-N 1 1 342.399 0.936 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc2oc(C)nc21 ZINC001267233793 837039017 /nfs/dbraw/zinc/03/90/17/837039017.db2.gz XQRDBYLQPXXCCK-GFCCVEGCSA-N 1 1 342.399 0.936 20 30 ECEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001267237893 837046481 /nfs/dbraw/zinc/04/64/81/837046481.db2.gz BSYJOMJYZHHDDS-MRXNPFEDSA-N 1 1 331.391 0.894 20 30 ECEDMO CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001267237893 837046491 /nfs/dbraw/zinc/04/64/91/837046491.db2.gz BSYJOMJYZHHDDS-MRXNPFEDSA-N 1 1 331.391 0.894 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1c(Cl)n[nH]c1CC ZINC001267242386 837052422 /nfs/dbraw/zinc/05/24/22/837052422.db2.gz JLPYJMKARITXQV-UHFFFAOYSA-N 1 1 339.827 0.427 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1c(Cl)n[nH]c1CC ZINC001267242386 837052435 /nfs/dbraw/zinc/05/24/35/837052435.db2.gz JLPYJMKARITXQV-UHFFFAOYSA-N 1 1 339.827 0.427 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc2cnccc2o1 ZINC001267246045 837059532 /nfs/dbraw/zinc/05/95/32/837059532.db2.gz ZZIULGHQDKVXBF-UHFFFAOYSA-N 1 1 328.372 0.629 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc2cnccc2o1 ZINC001267246045 837059540 /nfs/dbraw/zinc/05/95/40/837059540.db2.gz ZZIULGHQDKVXBF-UHFFFAOYSA-N 1 1 328.372 0.629 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)C1(NC(C)=O)CCCCC1 ZINC001267245572 837059605 /nfs/dbraw/zinc/05/96/05/837059605.db2.gz JOABPEBYMVHMIP-UHFFFAOYSA-N 1 1 337.464 0.913 20 30 ECEDMO C=CCNC(=O)CN(CC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267249054 837066341 /nfs/dbraw/zinc/06/63/41/837066341.db2.gz NAZSLFIAKRKGQO-HNNXBMFYSA-N 1 1 347.463 0.494 20 30 ECEDMO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CSCC#N ZINC001267260212 837089950 /nfs/dbraw/zinc/08/99/50/837089950.db2.gz GFPCIMDSTCCBND-OLZOCXBDSA-N 1 1 326.466 0.738 20 30 ECEDMO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CSCC#N ZINC001267260212 837089955 /nfs/dbraw/zinc/08/99/55/837089955.db2.gz GFPCIMDSTCCBND-OLZOCXBDSA-N 1 1 326.466 0.738 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1O ZINC001267261865 837091591 /nfs/dbraw/zinc/09/15/91/837091591.db2.gz ROABPPHCMDNZTD-KBPBESRZSA-N 1 1 329.400 0.724 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1O ZINC001267261865 837091598 /nfs/dbraw/zinc/09/15/98/837091598.db2.gz ROABPPHCMDNZTD-KBPBESRZSA-N 1 1 329.400 0.724 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1CNC(=O)CC(N)=O ZINC001267264453 837098422 /nfs/dbraw/zinc/09/84/22/837098422.db2.gz SKXTWABBYUVMMN-AWEZNQCLSA-N 1 1 330.388 0.523 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1CNC(=O)CC(N)=O ZINC001267264453 837098427 /nfs/dbraw/zinc/09/84/27/837098427.db2.gz SKXTWABBYUVMMN-AWEZNQCLSA-N 1 1 330.388 0.523 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001267266697 837103251 /nfs/dbraw/zinc/10/32/51/837103251.db2.gz HBXXZWBMQUBFGB-GFCCVEGCSA-N 1 1 342.403 0.454 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001267266697 837103254 /nfs/dbraw/zinc/10/32/54/837103254.db2.gz HBXXZWBMQUBFGB-GFCCVEGCSA-N 1 1 342.403 0.454 20 30 ECEDMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001267268177 837107264 /nfs/dbraw/zinc/10/72/64/837107264.db2.gz WYCZJEDOTBJCFF-MRXNPFEDSA-N 1 1 342.378 0.445 20 30 ECEDMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001267268177 837107269 /nfs/dbraw/zinc/10/72/69/837107269.db2.gz WYCZJEDOTBJCFF-MRXNPFEDSA-N 1 1 342.378 0.445 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1cncs1 ZINC001267271273 837112618 /nfs/dbraw/zinc/11/26/18/837112618.db2.gz RZULMZKORPIMPQ-STQMWFEESA-N 1 1 336.461 0.957 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cc1cncs1 ZINC001267271273 837112622 /nfs/dbraw/zinc/11/26/22/837112622.db2.gz RZULMZKORPIMPQ-STQMWFEESA-N 1 1 336.461 0.957 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001267276675 837121149 /nfs/dbraw/zinc/12/11/49/837121149.db2.gz PQFUVPVAUMEHLT-HUUCEWRRSA-N 1 1 347.463 0.922 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001267276675 837121152 /nfs/dbraw/zinc/12/11/52/837121152.db2.gz PQFUVPVAUMEHLT-HUUCEWRRSA-N 1 1 347.463 0.922 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001267277486 837122223 /nfs/dbraw/zinc/12/22/23/837122223.db2.gz ZFCKQAFYLSQQGF-CQSZACIVSA-N 1 1 342.403 0.207 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001267277486 837122230 /nfs/dbraw/zinc/12/22/30/837122230.db2.gz ZFCKQAFYLSQQGF-CQSZACIVSA-N 1 1 342.403 0.207 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cncn1C ZINC001267280735 837129438 /nfs/dbraw/zinc/12/94/38/837129438.db2.gz GGVLMUQDZKQEME-GDBMZVCRSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1cncn1C ZINC001267280735 837129445 /nfs/dbraw/zinc/12/94/45/837129445.db2.gz GGVLMUQDZKQEME-GDBMZVCRSA-N 1 1 345.447 0.071 20 30 ECEDMO N#CCSCC(=O)NC[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267290503 837141540 /nfs/dbraw/zinc/14/15/40/837141540.db2.gz ZNISXVGFCKQALL-CHWSQXEVSA-N 1 1 345.490 0.116 20 30 ECEDMO COCC#CC[N@@H+](CCCNC(=O)c1cn(C)ccc1=O)C(C)C ZINC001267293854 837148980 /nfs/dbraw/zinc/14/89/80/837148980.db2.gz ALPFAOQUHZBDKB-UHFFFAOYSA-N 1 1 333.432 0.865 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001267297230 837157398 /nfs/dbraw/zinc/15/73/98/837157398.db2.gz FCTGJFQOTGHHIT-CABCVRRESA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)CN2CCCCS2(=O)=O)C1 ZINC001267297290 837158389 /nfs/dbraw/zinc/15/83/89/837158389.db2.gz GNLYLABUJIWPLG-AWEZNQCLSA-N 1 1 329.466 0.426 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cncc(CC)c2)C1 ZINC001267299682 837162394 /nfs/dbraw/zinc/16/23/94/837162394.db2.gz YSUIOLDWSNQGOB-HNNXBMFYSA-N 1 1 330.432 0.998 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001267298530 837163140 /nfs/dbraw/zinc/16/31/40/837163140.db2.gz OPLRMDUIJCMLDF-CHWSQXEVSA-N 1 1 349.456 0.946 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCc2ccccc2)C1 ZINC001267305843 837174526 /nfs/dbraw/zinc/17/45/26/837174526.db2.gz CYCAAUUYMDOMTF-INIZCTEOSA-N 1 1 328.416 0.697 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccccc2)C1 ZINC001267305843 837174530 /nfs/dbraw/zinc/17/45/30/837174530.db2.gz CYCAAUUYMDOMTF-INIZCTEOSA-N 1 1 328.416 0.697 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001267307871 837181000 /nfs/dbraw/zinc/18/10/00/837181000.db2.gz XLNSZCCACAZZKD-ZDUSSCGKSA-N 1 1 345.447 0.508 20 30 ECEDMO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001267325765 837202920 /nfs/dbraw/zinc/20/29/20/837202920.db2.gz LTNJPWOTFSZUAH-WMLDXEAASA-N 1 1 347.459 0.664 20 30 ECEDMO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001267325765 837202928 /nfs/dbraw/zinc/20/29/28/837202928.db2.gz LTNJPWOTFSZUAH-WMLDXEAASA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(Cc1nonc1C)C1CC1 ZINC001267327323 837207470 /nfs/dbraw/zinc/20/74/70/837207470.db2.gz JMNRCDQUKXDJBV-INIZCTEOSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(Cc1nonc1C)C1CC1 ZINC001267327323 837207479 /nfs/dbraw/zinc/20/74/79/837207479.db2.gz JMNRCDQUKXDJBV-INIZCTEOSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cc(C2CC2)on1)C1CC1 ZINC001267330961 837212838 /nfs/dbraw/zinc/21/28/38/837212838.db2.gz UAFSXHKIUNSJNO-UHFFFAOYSA-N 1 1 330.388 0.496 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(C2CC2)on1)C1CC1 ZINC001267330961 837212849 /nfs/dbraw/zinc/21/28/49/837212849.db2.gz UAFSXHKIUNSJNO-UHFFFAOYSA-N 1 1 330.388 0.496 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1ncccc1OC)C1CC1 ZINC001267337201 837221319 /nfs/dbraw/zinc/22/13/19/837221319.db2.gz LENBFDGEQVUVMU-CYBMUJFWSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1ncccc1OC)C1CC1 ZINC001267337201 837221331 /nfs/dbraw/zinc/22/13/31/837221331.db2.gz LENBFDGEQVUVMU-CYBMUJFWSA-N 1 1 344.415 0.422 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]([NH2+]CC(=O)NC)c2ccccc2)cn1 ZINC001267378290 837296506 /nfs/dbraw/zinc/29/65/06/837296506.db2.gz YZDQYRPJGUSFOT-KRWDZBQOSA-N 1 1 336.395 0.870 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001267579386 837836479 /nfs/dbraw/zinc/83/64/79/837836479.db2.gz FJTIOCQIGNFXOP-CQSZACIVSA-N 1 1 338.452 0.067 20 30 ECEDMO C[N@@H+](C[C@@H](O)Cn1cccn1)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267581423 837844863 /nfs/dbraw/zinc/84/48/63/837844863.db2.gz PMCCIDLUBKSLKN-DLBZAZTESA-N 1 1 330.432 0.438 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)c2ccco2)C1 ZINC001267587730 837869031 /nfs/dbraw/zinc/86/90/31/837869031.db2.gz BYCJAXIVAXHENN-HUUCEWRRSA-N 1 1 331.416 0.913 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)N(C)C)C2)c1 ZINC001267589316 837874322 /nfs/dbraw/zinc/87/43/22/837874322.db2.gz MRWXOPCGKQETOJ-OAHLLOKOSA-N 1 1 328.416 0.545 20 30 ECEDMO CCc1c(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C2)ccn1C ZINC001267589281 837874708 /nfs/dbraw/zinc/87/47/08/837874708.db2.gz IQQODMIDWLNDLO-AWEZNQCLSA-N 1 1 345.447 0.621 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N(C)C)C2)cn1 ZINC001267594108 837894688 /nfs/dbraw/zinc/89/46/88/837894688.db2.gz YXYRZDFTMKRYJX-HUUCEWRRSA-N 1 1 342.443 0.934 20 30 ECEDMO C=CCCOCC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCCN(C)C2=O)C1 ZINC001267597095 837902457 /nfs/dbraw/zinc/90/24/57/837902457.db2.gz XXUDJVTYQVAVIB-HOTGVXAUSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC2CC2)CC1 ZINC001267599134 837909410 /nfs/dbraw/zinc/90/94/10/837909410.db2.gz DTKBJXTXVYRBKG-OAHLLOKOSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CC[N@H+](C)CC1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001267602924 837928525 /nfs/dbraw/zinc/92/85/25/837928525.db2.gz NCVXYKQMSREYAG-UHFFFAOYSA-N 1 1 348.451 0.535 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001267603410 837930331 /nfs/dbraw/zinc/93/03/31/837930331.db2.gz VGRINRANKFCKII-UHFFFAOYSA-N 1 1 345.447 0.262 20 30 ECEDMO C#CCC[N@H+](C)CC1CCN(C(=O)CCC(=O)N2CCOCC2)CC1 ZINC001267604391 837936287 /nfs/dbraw/zinc/93/62/87/837936287.db2.gz PBFHDAVDZCLUCQ-UHFFFAOYSA-N 1 1 349.475 0.819 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@H](NC(C)=O)C2CCCC2)CC1 ZINC001267608960 837964722 /nfs/dbraw/zinc/96/47/22/837964722.db2.gz JYYHNKUIMBTUIA-GOSISDBHSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@H](NC(C)=O)C2CCCC2)CC1 ZINC001267608960 837964723 /nfs/dbraw/zinc/96/47/23/837964723.db2.gz JYYHNKUIMBTUIA-GOSISDBHSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267615798 837998726 /nfs/dbraw/zinc/99/87/26/837998726.db2.gz UTKBIYSROXULRE-LSDHHAIUSA-N 1 1 334.464 0.189 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)C(=O)Nc2cc(C)on2)CC1 ZINC001267618903 838052493 /nfs/dbraw/zinc/05/24/93/838052493.db2.gz UPGNDPYDKTUCHK-UHFFFAOYSA-N 1 1 347.419 0.021 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)COc2cc(C)on2)C1 ZINC001267627700 838082387 /nfs/dbraw/zinc/08/23/87/838082387.db2.gz JHUNCVUGTBYLDR-KGLIPLIRSA-N 1 1 348.403 0.080 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)COc2cc(C)on2)C1 ZINC001267627700 838082399 /nfs/dbraw/zinc/08/23/99/838082399.db2.gz JHUNCVUGTBYLDR-KGLIPLIRSA-N 1 1 348.403 0.080 20 30 ECEDMO CCC(=O)N1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC#CCOC)C2)C1 ZINC001267633811 838102285 /nfs/dbraw/zinc/10/22/85/838102285.db2.gz PYIATSUYTRKUHH-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO CCC(=O)N1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC#CCOC)C2)C1 ZINC001267633811 838102291 /nfs/dbraw/zinc/10/22/91/838102291.db2.gz PYIATSUYTRKUHH-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001267656303 838166777 /nfs/dbraw/zinc/16/67/77/838166777.db2.gz IYOIUVIGIXUPAH-HUUCEWRRSA-N 1 1 334.464 0.047 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC1C[NH+](CCc2nnn(C(C)(C)C)n2)C1 ZINC001267680879 838240718 /nfs/dbraw/zinc/24/07/18/838240718.db2.gz ABBXXPIBHHCWDY-ZDUSSCGKSA-N 1 1 348.451 0.057 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnc(C)n2C)C1 ZINC001267683039 838243067 /nfs/dbraw/zinc/24/30/67/838243067.db2.gz IOKZWEWAXLZTBT-HIFRSBDPSA-N 1 1 345.447 0.260 20 30 ECEDMO C=CCC1(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NC)C2)CCOCC1 ZINC001267702262 838303503 /nfs/dbraw/zinc/30/35/03/838303503.db2.gz DUOMAZJTICNHJQ-HNNXBMFYSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)NCc1ccco1 ZINC001267715668 838355660 /nfs/dbraw/zinc/35/56/60/838355660.db2.gz DDLYIEXOEMZZEZ-KBPBESRZSA-N 1 1 332.404 0.940 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)CC(C)(C)O)CC1 ZINC001267724114 838384484 /nfs/dbraw/zinc/38/44/84/838384484.db2.gz AGCLLHAGCAOBOF-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)C[C@](C)(O)C=C)CC1 ZINC001267724534 838386863 /nfs/dbraw/zinc/38/68/63/838386863.db2.gz GPIFHYIWPSJEBS-GOSISDBHSA-N 1 1 337.464 0.786 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccn3ccnc23)C1 ZINC001267731470 838419467 /nfs/dbraw/zinc/41/94/67/838419467.db2.gz DKYHBPDPWUKAJG-KGLIPLIRSA-N 1 1 339.399 0.276 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cccn3ccnc23)C1 ZINC001267731470 838419471 /nfs/dbraw/zinc/41/94/71/838419471.db2.gz DKYHBPDPWUKAJG-KGLIPLIRSA-N 1 1 339.399 0.276 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cccnc2OCCOC)C1 ZINC001267735642 838430012 /nfs/dbraw/zinc/43/00/12/838430012.db2.gz YWYRAQLSPATJJZ-HNNXBMFYSA-N 1 1 347.415 0.561 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cccnc2OCCOC)C1 ZINC001267735642 838430016 /nfs/dbraw/zinc/43/00/16/838430016.db2.gz YWYRAQLSPATJJZ-HNNXBMFYSA-N 1 1 347.415 0.561 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC001267738260 838436052 /nfs/dbraw/zinc/43/60/52/838436052.db2.gz UMTUVCTWXJDEFR-NWDGAFQWSA-N 1 1 335.408 0.057 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@H](OC)C2CCC2)CC1 ZINC001267739873 838439162 /nfs/dbraw/zinc/43/91/62/838439162.db2.gz LJMRORSHWLVYLR-GOSISDBHSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnnn2CC)C1 ZINC001267761465 838489818 /nfs/dbraw/zinc/48/98/18/838489818.db2.gz ICOTZMUYXBTZAZ-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnnn2CC)C1 ZINC001267761465 838489822 /nfs/dbraw/zinc/48/98/22/838489822.db2.gz ICOTZMUYXBTZAZ-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267773414 838531759 /nfs/dbraw/zinc/53/17/59/838531759.db2.gz MYKSKLWLALZNDG-ZIAGYGMSSA-N 1 1 344.415 0.380 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267773414 838531762 /nfs/dbraw/zinc/53/17/62/838531762.db2.gz MYKSKLWLALZNDG-ZIAGYGMSSA-N 1 1 344.415 0.380 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001267773776 838535613 /nfs/dbraw/zinc/53/56/13/838535613.db2.gz QDBMGJOTUMALKB-GJZGRUSLSA-N 1 1 338.452 0.078 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001267773776 838535619 /nfs/dbraw/zinc/53/56/19/838535619.db2.gz QDBMGJOTUMALKB-GJZGRUSLSA-N 1 1 338.452 0.078 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)COCc2ccncc2)C1 ZINC001267775857 838539655 /nfs/dbraw/zinc/53/96/55/838539655.db2.gz YRIKAYFXAZGIFA-QGZVFWFLSA-N 1 1 331.416 0.781 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)COCc2ccncc2)C1 ZINC001267775857 838539659 /nfs/dbraw/zinc/53/96/59/838539659.db2.gz YRIKAYFXAZGIFA-QGZVFWFLSA-N 1 1 331.416 0.781 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cccn2)C1 ZINC001267776998 838542017 /nfs/dbraw/zinc/54/20/17/838542017.db2.gz ITCZSGMNVKUTCB-HZPDHXFCSA-N 1 1 345.447 0.334 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCCn2cccn2)C1 ZINC001267776998 838542027 /nfs/dbraw/zinc/54/20/27/838542027.db2.gz ITCZSGMNVKUTCB-HZPDHXFCSA-N 1 1 345.447 0.334 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](OCC)C2CC2)C1 ZINC001267785925 838562910 /nfs/dbraw/zinc/56/29/10/838562910.db2.gz ISDKSELBOQYAFG-WBVHZDCISA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](OCC)C2CC2)C1 ZINC001267785925 838562916 /nfs/dbraw/zinc/56/29/16/838562916.db2.gz ISDKSELBOQYAFG-WBVHZDCISA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CCn2ccnc2)C1 ZINC001267788244 838567578 /nfs/dbraw/zinc/56/75/78/838567578.db2.gz SWGPBPSACWRPOJ-HNNXBMFYSA-N 1 1 333.436 0.498 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CCn2ccnc2)C1 ZINC001267788244 838567583 /nfs/dbraw/zinc/56/75/83/838567583.db2.gz SWGPBPSACWRPOJ-HNNXBMFYSA-N 1 1 333.436 0.498 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC001267955452 838859630 /nfs/dbraw/zinc/85/96/30/838859630.db2.gz VVSKQQLGYRXWQH-DZGCQCFKSA-N 1 1 346.435 0.690 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001268024276 839013468 /nfs/dbraw/zinc/01/34/68/839013468.db2.gz BITPCBNZPJULHC-AWEZNQCLSA-N 1 1 334.420 0.810 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001268028301 839040355 /nfs/dbraw/zinc/04/03/55/839040355.db2.gz CDOKPAWKWRYKDK-CVEARBPZSA-N 1 1 347.463 0.932 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC001268042501 839187722 /nfs/dbraw/zinc/18/77/22/839187722.db2.gz RIRRIYSAQLAHGJ-CABCVRRESA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCNC(=O)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001268045122 839205828 /nfs/dbraw/zinc/20/58/28/839205828.db2.gz RNJNYHXTRADKLI-INIZCTEOSA-N 1 1 348.491 0.697 20 30 ECEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C#N)n2)[C@@H](C)C1 ZINC000426747984 210163123 /nfs/dbraw/zinc/16/31/23/210163123.db2.gz TYCKJOKNWFPVRT-UONOGXRCSA-N 1 1 334.424 0.403 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)n2)C1 ZINC001077912445 781930737 /nfs/dbraw/zinc/93/07/37/781930737.db2.gz DVUSFXSXTOCVIK-ZIAGYGMSSA-N 1 1 328.376 0.013 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189738578 237203263 /nfs/dbraw/zinc/20/32/63/237203263.db2.gz JROPXGPHBKKGQQ-LBPRGKRZSA-N 1 1 346.431 0.321 20 30 ECEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000411907306 291276697 /nfs/dbraw/zinc/27/66/97/291276697.db2.gz DBXBSFMIQVOGEA-HZPDHXFCSA-N 1 1 345.399 0.809 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041672522 781960900 /nfs/dbraw/zinc/96/09/00/781960900.db2.gz CUKJWTPTNPBMOY-ZENOOKHLSA-N 1 1 341.839 0.696 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041672522 781960910 /nfs/dbraw/zinc/96/09/10/781960910.db2.gz CUKJWTPTNPBMOY-ZENOOKHLSA-N 1 1 341.839 0.696 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001077938621 781968985 /nfs/dbraw/zinc/96/89/85/781968985.db2.gz YONZREWUYLTLKP-CHWSQXEVSA-N 1 1 327.306 0.899 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001077938621 781968993 /nfs/dbraw/zinc/96/89/93/781968993.db2.gz YONZREWUYLTLKP-CHWSQXEVSA-N 1 1 327.306 0.899 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408029255 285047344 /nfs/dbraw/zinc/04/73/44/285047344.db2.gz SPOULEPUWAUJKW-HZSPNIEDSA-N 1 1 330.454 0.118 20 30 ECEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000411907307 208162823 /nfs/dbraw/zinc/16/28/23/208162823.db2.gz DBXBSFMIQVOGEA-JKSUJKDBSA-N 1 1 345.399 0.809 20 30 ECEDMO COC(=O)[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000411909702 208163859 /nfs/dbraw/zinc/16/38/59/208163859.db2.gz ROFKJOXHTHXBEW-INIZCTEOSA-N 1 1 344.415 0.211 20 30 ECEDMO CC#CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000121425950 254494892 /nfs/dbraw/zinc/49/48/92/254494892.db2.gz INBGZGLLHBIKSX-UHFFFAOYSA-N 1 1 335.473 0.914 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000131017335 254497771 /nfs/dbraw/zinc/49/77/71/254497771.db2.gz FZNAUAYMMDCPST-HNNXBMFYSA-N 1 1 336.436 0.319 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CCCS2(=O)=O)CCSC1 ZINC000330159423 254629082 /nfs/dbraw/zinc/62/90/82/254629082.db2.gz QXGZPQPPKFPMAN-AAEUAGOBSA-N 1 1 335.495 0.505 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000337090561 254664641 /nfs/dbraw/zinc/66/46/41/254664641.db2.gz JVUNTKDHXPWZCN-ZIAGYGMSSA-N 1 1 332.470 0.413 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000343918229 254690948 /nfs/dbraw/zinc/69/09/48/254690948.db2.gz VKDMBDATFKYQPH-RHSMWYFYSA-N 1 1 325.453 0.919 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(CC(=O)OC)CC1 ZINC000371917388 254744771 /nfs/dbraw/zinc/74/47/71/254744771.db2.gz CMSDDRYZLFNWQZ-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)N(S(C)(=O)=O)C1 ZINC000329869475 286102787 /nfs/dbraw/zinc/10/27/87/286102787.db2.gz YWUDZCKIBJOTDP-FPMFFAJLSA-N 1 1 345.465 0.476 20 30 ECEDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)N(CCC#N)CCOC ZINC000337101625 287013850 /nfs/dbraw/zinc/01/38/50/287013850.db2.gz WKAZKZYZZQKBOJ-OAHLLOKOSA-N 1 1 346.497 0.947 20 30 ECEDMO Cn1cc(C#N)c(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000610821415 420597657 /nfs/dbraw/zinc/59/76/57/420597657.db2.gz XHAZKQCVQRNQHO-ZDUSSCGKSA-N 1 1 345.407 0.062 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000269689115 263197538 /nfs/dbraw/zinc/19/75/38/263197538.db2.gz WCYCEZGQBYPOAX-CYBMUJFWSA-N 1 1 336.417 0.176 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000269689115 263197540 /nfs/dbraw/zinc/19/75/40/263197540.db2.gz WCYCEZGQBYPOAX-CYBMUJFWSA-N 1 1 336.417 0.176 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000365015149 270007254 /nfs/dbraw/zinc/00/72/54/270007254.db2.gz GBDTYMGRUCEZTQ-SJORKVTESA-N 1 1 349.456 0.919 20 30 ECEDMO N#Cc1ncn(C2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)n1 ZINC000370119726 270007587 /nfs/dbraw/zinc/00/75/87/270007587.db2.gz FSJSBXDNJSGWBS-UHFFFAOYSA-N 1 1 349.398 0.975 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000376518181 270007654 /nfs/dbraw/zinc/00/76/54/270007654.db2.gz MDPNNJLPFBZQGV-MJBXVCDLSA-N 1 1 329.408 0.275 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C1 ZINC000372990141 270007816 /nfs/dbraw/zinc/00/78/16/270007816.db2.gz MUUIAVIGMPMPKF-CQSZACIVSA-N 1 1 349.460 0.354 20 30 ECEDMO N#Cc1ncn(CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000533182307 270008272 /nfs/dbraw/zinc/00/82/72/270008272.db2.gz ORWRYUAQJXZKOQ-UHFFFAOYSA-N 1 1 339.403 0.088 20 30 ECEDMO CC[N@@H+](CC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C1CC1 ZINC000351616774 266102745 /nfs/dbraw/zinc/10/27/45/266102745.db2.gz VOIQACKIZBPTLY-UHFFFAOYSA-N 1 1 330.436 0.733 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000345984922 266128284 /nfs/dbraw/zinc/12/82/84/266128284.db2.gz SEQIDJHZXFZWGN-UHFFFAOYSA-N 1 1 329.397 0.431 20 30 ECEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358103845 266328863 /nfs/dbraw/zinc/32/88/63/266328863.db2.gz BTUASUONXGTODU-KRWDZBQOSA-N 1 1 346.387 0.078 20 30 ECEDMO C[C@@](O)(CNC(=O)CNc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000358370410 267115242 /nfs/dbraw/zinc/11/52/42/267115242.db2.gz PTGHTFVIQXWFTP-QGZVFWFLSA-N 1 1 332.404 0.170 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000352324625 267149728 /nfs/dbraw/zinc/14/97/28/267149728.db2.gz XCLNXXNWOKYBAT-CQSZACIVSA-N 1 1 343.431 0.639 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373444391 267226708 /nfs/dbraw/zinc/22/67/08/267226708.db2.gz VXKXCRYSOJSBJY-WFASDCNBSA-N 1 1 343.435 0.979 20 30 ECEDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000332308555 267252415 /nfs/dbraw/zinc/25/24/15/267252415.db2.gz MBUBFZBCXJDYKO-STQMWFEESA-N 1 1 326.400 0.998 20 30 ECEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000332308555 267252418 /nfs/dbraw/zinc/25/24/18/267252418.db2.gz MBUBFZBCXJDYKO-STQMWFEESA-N 1 1 326.400 0.998 20 30 ECEDMO Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ncc1C#N ZINC000333292296 267320488 /nfs/dbraw/zinc/32/04/88/267320488.db2.gz AMGVQFVNFHIMRA-INIZCTEOSA-N 1 1 341.415 0.640 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000362408379 268068783 /nfs/dbraw/zinc/06/87/83/268068783.db2.gz BBFYIPBLTASLBY-SFHVURJKSA-N 1 1 326.400 0.777 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)nc1 ZINC000340090939 268130753 /nfs/dbraw/zinc/13/07/53/268130753.db2.gz JSHVKUANGTVQIN-UHFFFAOYSA-N 1 1 343.387 0.215 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 ZINC000370705453 268138289 /nfs/dbraw/zinc/13/82/89/268138289.db2.gz GXZCSWDWSAYWCB-HUUCEWRRSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)CN3CCOCC3)C2)nc1 ZINC000366374291 268181571 /nfs/dbraw/zinc/18/15/71/268181571.db2.gz HMVCYRRKGBVRAG-JKSUJKDBSA-N 1 1 332.404 0.099 20 30 ECEDMO N#Cc1csc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000370310761 268319071 /nfs/dbraw/zinc/31/90/71/268319071.db2.gz ADTJOUIVLCIVGU-CQSZACIVSA-N 1 1 334.445 0.756 20 30 ECEDMO N#Cc1csc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000370310761 268319073 /nfs/dbraw/zinc/31/90/73/268319073.db2.gz ADTJOUIVLCIVGU-CQSZACIVSA-N 1 1 334.445 0.756 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000438459032 276870639 /nfs/dbraw/zinc/87/06/39/276870639.db2.gz XMWINYVAICYRKH-VYDXJSESSA-N 1 1 341.452 0.350 20 30 ECEDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C([O-])=[NH+][C@H]1CCc2ncnn2C1 ZINC000329272011 278015674 /nfs/dbraw/zinc/01/56/74/278015674.db2.gz IIVLUTIBYBUVDZ-RDBSUJKOSA-N 1 1 334.424 0.302 20 30 ECEDMO C[C@H](c1ccc(NC(=O)NCC(=O)NCC#N)cc1)[NH+]1CCOCC1 ZINC000349330977 278308246 /nfs/dbraw/zinc/30/82/46/278308246.db2.gz NENXKUWTYBFRLP-CYBMUJFWSA-N 1 1 345.403 0.841 20 30 ECEDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000186956980 278396356 /nfs/dbraw/zinc/39/63/56/278396356.db2.gz JHUYPOKWQWEEPF-ZIAGYGMSSA-N 1 1 330.384 0.680 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000186956980 278396357 /nfs/dbraw/zinc/39/63/57/278396357.db2.gz JHUYPOKWQWEEPF-ZIAGYGMSSA-N 1 1 330.384 0.680 20 30 ECEDMO CC[N@@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000130978213 279032141 /nfs/dbraw/zinc/03/21/41/279032141.db2.gz ZWCUGIPIBMMSKQ-LBPRGKRZSA-N 1 1 338.433 0.293 20 30 ECEDMO CC(C)C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C)C1)[NH+]1CCOCC1 ZINC000331022573 279120047 /nfs/dbraw/zinc/12/00/47/279120047.db2.gz QLQLQJCHZXWVFF-ZIAGYGMSSA-N 1 1 326.441 0.468 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000488020286 280134613 /nfs/dbraw/zinc/13/46/13/280134613.db2.gz BNBKQZDRLDZVLE-ROUUACIJSA-N 1 1 349.523 0.951 20 30 ECEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000331288753 280247846 /nfs/dbraw/zinc/24/78/46/280247846.db2.gz NMBPQBUXFJYVFE-OLZOCXBDSA-N 1 1 332.470 0.528 20 30 ECEDMO C=CC[N@H+](CCC(=O)NC(N)=O)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343548796 437603600 /nfs/dbraw/zinc/60/36/00/437603600.db2.gz AKZKAUDVDKKTNS-GFCCVEGCSA-N 1 1 343.391 0.796 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(C(C)=O)CC1 ZINC000330753977 437606400 /nfs/dbraw/zinc/60/64/00/437606400.db2.gz WHFRQWPCFLWDBN-HNNXBMFYSA-N 1 1 326.441 0.612 20 30 ECEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330761058 437608593 /nfs/dbraw/zinc/60/85/93/437608593.db2.gz NFKGYVXGTXMLML-GJZGRUSLSA-N 1 1 332.466 0.440 20 30 ECEDMO N#CCc1ccc(C(=O)NCCCCN2CC[NH+](CCO)CC2)cc1 ZINC000340229513 437613306 /nfs/dbraw/zinc/61/33/06/437613306.db2.gz WQEUCUXQLSONEY-UHFFFAOYSA-N 1 1 344.459 0.873 20 30 ECEDMO C[C@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)CN1CC[NH+](C)CC1 ZINC000329657525 289394419 /nfs/dbraw/zinc/39/44/19/289394419.db2.gz NGAJUJFRHKUQMH-RBSFLKMASA-N 1 1 337.468 0.835 20 30 ECEDMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000330799368 437619806 /nfs/dbraw/zinc/61/98/06/437619806.db2.gz BYKSNCIJHYNMMF-CHWSQXEVSA-N 1 1 333.454 0.130 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000330799368 437619809 /nfs/dbraw/zinc/61/98/09/437619809.db2.gz BYKSNCIJHYNMMF-CHWSQXEVSA-N 1 1 333.454 0.130 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(CC(=O)NCc3cccc(C#N)c3)[C@H]2C1 ZINC000332767249 297072105 /nfs/dbraw/zinc/07/21/05/297072105.db2.gz FEQXXAPHNHQLAH-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1 ZINC000069645433 435953261 /nfs/dbraw/zinc/95/32/61/435953261.db2.gz NKFNUFMMTQCNLC-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1 ZINC000069645433 435953265 /nfs/dbraw/zinc/95/32/65/435953265.db2.gz NKFNUFMMTQCNLC-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000028902604 436194117 /nfs/dbraw/zinc/19/41/17/436194117.db2.gz MTBHSEDEEAJVLI-UHFFFAOYSA-N 1 1 330.432 0.935 20 30 ECEDMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000041720152 436283898 /nfs/dbraw/zinc/28/38/98/436283898.db2.gz HTIGUWXDUDSYQJ-UHFFFAOYSA-N 1 1 343.431 0.641 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000079490163 436298481 /nfs/dbraw/zinc/29/84/81/436298481.db2.gz QODXDSRGKHSYOR-KGLIPLIRSA-N 1 1 338.452 0.572 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)n(C)c2)CC1 ZINC000080610144 436322170 /nfs/dbraw/zinc/32/21/70/436322170.db2.gz GGEWDTBPGURIRB-UHFFFAOYSA-N 1 1 341.433 0.740 20 30 ECEDMO N#C[C@H](c1ccccc1)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000080906538 436332311 /nfs/dbraw/zinc/33/23/11/436332311.db2.gz NSKWVVIVILMNLY-MRXNPFEDSA-N 1 1 341.415 0.811 20 30 ECEDMO C[C@](O)(CNC(=O)/C=C/c1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000080897317 436332850 /nfs/dbraw/zinc/33/28/50/436332850.db2.gz PYSQJYBISCFOLQ-QWNKOJSDSA-N 1 1 329.400 0.771 20 30 ECEDMO CCNC(=O)NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086323 436386466 /nfs/dbraw/zinc/38/64/66/436386466.db2.gz WUNKPUSLGJAGBN-UHFFFAOYSA-N 1 1 329.404 0.916 20 30 ECEDMO CCNC(=O)NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086323 436386468 /nfs/dbraw/zinc/38/64/68/436386468.db2.gz WUNKPUSLGJAGBN-UHFFFAOYSA-N 1 1 329.404 0.916 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N1CCN(c2ccccn2)CC1 ZINC000088695003 436404776 /nfs/dbraw/zinc/40/47/76/436404776.db2.gz KIWKABORQMDYDD-MRXNPFEDSA-N 1 1 345.495 0.025 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC000081667192 436354151 /nfs/dbraw/zinc/35/41/51/436354151.db2.gz SYEXNZDERQOJTI-OAHLLOKOSA-N 1 1 331.420 0.335 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC000081667192 436354156 /nfs/dbraw/zinc/35/41/56/436354156.db2.gz SYEXNZDERQOJTI-OAHLLOKOSA-N 1 1 331.420 0.335 20 30 ECEDMO C#CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000091212130 436444926 /nfs/dbraw/zinc/44/49/26/436444926.db2.gz QMHBLYOBKUAWPH-LSDHHAIUSA-N 1 1 343.493 0.795 20 30 ECEDMO C#CCN(C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000091218059 436445777 /nfs/dbraw/zinc/44/57/77/436445777.db2.gz YJKCEPGNDFMPMA-OCCSQVGLSA-N 1 1 327.450 0.301 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC000091235743 436446470 /nfs/dbraw/zinc/44/64/70/436446470.db2.gz ZWAWIIUMRWSFER-LLVKDONJSA-N 1 1 332.408 0.873 20 30 ECEDMO N#CCOc1cccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000048600506 436456301 /nfs/dbraw/zinc/45/63/01/436456301.db2.gz INRLTKXIRPPHJX-UHFFFAOYSA-N 1 1 346.387 0.366 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](C)[C@H]2CO)CC1 ZINC000091632958 436456892 /nfs/dbraw/zinc/45/68/92/436456892.db2.gz BDRBVXBJQHJWSE-YESZJQIVSA-N 1 1 336.480 0.772 20 30 ECEDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000092806099 436476795 /nfs/dbraw/zinc/47/67/95/436476795.db2.gz VLBTULGKHHZRNP-CYBMUJFWSA-N 1 1 330.454 0.151 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093260763 436483506 /nfs/dbraw/zinc/48/35/06/436483506.db2.gz AQAVSCRKDDCHTD-LBPRGKRZSA-N 1 1 330.388 0.162 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCCCNc2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000052247815 436505107 /nfs/dbraw/zinc/50/51/07/436505107.db2.gz BYUFBLBCKBDBAS-CYBMUJFWSA-N 1 1 333.436 0.880 20 30 ECEDMO N#C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000106329251 436592458 /nfs/dbraw/zinc/59/24/58/436592458.db2.gz FHANALUTBZAAKS-KRWDZBQOSA-N 1 1 344.415 0.953 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000108326794 436617163 /nfs/dbraw/zinc/61/71/63/436617163.db2.gz BPBXQKCUAMNGPS-AWEZNQCLSA-N 1 1 349.456 0.670 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)cc1OC ZINC000547417535 302257375 /nfs/dbraw/zinc/25/73/75/302257375.db2.gz QYADTMPHJIZLEE-UHFFFAOYSA-N 1 1 348.403 0.590 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000115882475 436648677 /nfs/dbraw/zinc/64/86/77/436648677.db2.gz XHIORPWLRYGRTM-UHFFFAOYSA-N 1 1 343.427 0.912 20 30 ECEDMO CSCC[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000138260375 436659291 /nfs/dbraw/zinc/65/92/91/436659291.db2.gz XFXBSDLELPLIEL-UHFFFAOYSA-N 1 1 337.449 0.798 20 30 ECEDMO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[NH+](CCO)CC1 ZINC000150930602 436692889 /nfs/dbraw/zinc/69/28/89/436692889.db2.gz FEECPTFVUIIYIY-UHFFFAOYSA-N 1 1 344.415 0.804 20 30 ECEDMO N#C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000269434719 436666164 /nfs/dbraw/zinc/66/61/64/436666164.db2.gz MDINZIXWVVAZOF-KRWDZBQOSA-N 1 1 328.416 0.555 20 30 ECEDMO CCCNC(=O)C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000065588465 436668293 /nfs/dbraw/zinc/66/82/93/436668293.db2.gz LRRDFYISPXNYRW-UHFFFAOYSA-N 1 1 333.436 0.881 20 30 ECEDMO C=CCCOCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000270553755 436674534 /nfs/dbraw/zinc/67/45/34/436674534.db2.gz ZGHABIHYYVIFMG-UHFFFAOYSA-N 1 1 326.441 0.385 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)nn1CCC#N ZINC000271014343 436677457 /nfs/dbraw/zinc/67/74/57/436677457.db2.gz KMLDNNCVACQQQT-UHFFFAOYSA-N 1 1 334.424 0.890 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000272891396 436726277 /nfs/dbraw/zinc/72/62/77/436726277.db2.gz WWZIDVIGBBSUEN-LBPRGKRZSA-N 1 1 328.438 0.728 20 30 ECEDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000152803100 436741753 /nfs/dbraw/zinc/74/17/53/436741753.db2.gz HHAGAANJLGLXIT-HZPDHXFCSA-N 1 1 348.447 0.894 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000153152824 436748661 /nfs/dbraw/zinc/74/86/61/436748661.db2.gz DEJJVUKGLWKERK-OAHLLOKOSA-N 1 1 327.388 0.332 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153331493 436755347 /nfs/dbraw/zinc/75/53/47/436755347.db2.gz RTNZEANVULXZGD-JTQLQIEISA-N 1 1 349.439 0.741 20 30 ECEDMO C[N@@H+](CC(=O)N(CCC#N)CCN1CCOCC1)[C@@H]1CCSC1 ZINC000155235968 436791964 /nfs/dbraw/zinc/79/19/64/436791964.db2.gz GTJCJLILEJOSSE-OAHLLOKOSA-N 1 1 340.493 0.498 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000155764271 436801237 /nfs/dbraw/zinc/80/12/37/436801237.db2.gz PBUOIUIYDUZVLY-CYBMUJFWSA-N 1 1 342.403 0.921 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000155764271 436801242 /nfs/dbraw/zinc/80/12/42/436801242.db2.gz PBUOIUIYDUZVLY-CYBMUJFWSA-N 1 1 342.403 0.921 20 30 ECEDMO CC[N@@H+](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000130952828 436845444 /nfs/dbraw/zinc/84/54/44/436845444.db2.gz HIMHQLUYTJXSJB-GFCCVEGCSA-N 1 1 338.433 0.293 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000131186491 436849056 /nfs/dbraw/zinc/84/90/56/436849056.db2.gz MVBKIZRANRGHFU-CQSZACIVSA-N 1 1 344.481 0.542 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000293325544 436865896 /nfs/dbraw/zinc/86/58/96/436865896.db2.gz JAIUFFYIYVMCNN-UHFFFAOYSA-N 1 1 339.399 0.882 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)Cc1ccccc1C(=O)OC ZINC000293908273 436917453 /nfs/dbraw/zinc/91/74/53/436917453.db2.gz WTIUAAYNVVJOGO-UHFFFAOYSA-N 1 1 338.429 0.848 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000293955057 436922533 /nfs/dbraw/zinc/92/25/33/436922533.db2.gz KNYPTLIGIKXKGB-UHFFFAOYSA-N 1 1 334.420 0.312 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000293522462 436884800 /nfs/dbraw/zinc/88/48/00/436884800.db2.gz ZBZKWVBOOIWDGE-UHFFFAOYSA-N 1 1 340.387 0.482 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000293637162 436896307 /nfs/dbraw/zinc/89/63/07/436896307.db2.gz HWEFURFFYCILCT-LBPRGKRZSA-N 1 1 341.337 0.948 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000162613418 436909766 /nfs/dbraw/zinc/90/97/66/436909766.db2.gz ITCYBWNXZPLIKU-ROUUACIJSA-N 1 1 342.443 0.830 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1scnc1C(=O)OC ZINC000293807055 436911643 /nfs/dbraw/zinc/91/16/43/436911643.db2.gz NWTXXOHSDUJXNJ-UHFFFAOYSA-N 1 1 331.419 0.163 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1scnc1C(=O)OC ZINC000293807055 436911646 /nfs/dbraw/zinc/91/16/46/436911646.db2.gz NWTXXOHSDUJXNJ-UHFFFAOYSA-N 1 1 331.419 0.163 20 30 ECEDMO COCC[N@H+](C)CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295210010 436962961 /nfs/dbraw/zinc/96/29/61/436962961.db2.gz WLEZTAFLYLZESE-UHFFFAOYSA-N 1 1 329.397 0.695 20 30 ECEDMO COCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295210010 436962964 /nfs/dbraw/zinc/96/29/64/436962964.db2.gz WLEZTAFLYLZESE-UHFFFAOYSA-N 1 1 329.397 0.695 20 30 ECEDMO C[C@@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)CN1CC[NH+](C)CC1 ZINC000136308504 436930853 /nfs/dbraw/zinc/93/08/53/436930853.db2.gz ZMGJBLMRGBFWIY-HNNXBMFYSA-N 1 1 343.427 0.767 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)CC1(C#N)CC1 ZINC000165118078 436935247 /nfs/dbraw/zinc/93/52/47/436935247.db2.gz LWVHASNMBPROJS-CYBMUJFWSA-N 1 1 342.465 0.152 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)CC1(C#N)CC1 ZINC000165118078 436935252 /nfs/dbraw/zinc/93/52/52/436935252.db2.gz LWVHASNMBPROJS-CYBMUJFWSA-N 1 1 342.465 0.152 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000294706659 436959571 /nfs/dbraw/zinc/95/95/71/436959571.db2.gz UXSDQHHQDYUELE-CYBMUJFWSA-N 1 1 325.409 0.351 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000294706659 436959573 /nfs/dbraw/zinc/95/95/73/436959573.db2.gz UXSDQHHQDYUELE-CYBMUJFWSA-N 1 1 325.409 0.351 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)CN(C)c2ncnc3[nH]cnc32)CC1 ZINC000264454835 437032787 /nfs/dbraw/zinc/03/27/87/437032787.db2.gz DLTMWBMLKMUKPN-UHFFFAOYSA-N 1 1 329.408 0.556 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000296407792 436992290 /nfs/dbraw/zinc/99/22/90/436992290.db2.gz RDQRQNYHXIMKFX-UHFFFAOYSA-N 1 1 345.447 0.337 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCn1c2ccccc2oc1=O ZINC000296801472 436998932 /nfs/dbraw/zinc/99/89/32/436998932.db2.gz YLTLKESKROFQKN-UHFFFAOYSA-N 1 1 330.388 0.849 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1S(N)(=O)=O ZINC000296756614 436998949 /nfs/dbraw/zinc/99/89/49/436998949.db2.gz FNCBODXHAORKAP-UHFFFAOYSA-N 1 1 338.433 0.088 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC000297240728 437007783 /nfs/dbraw/zinc/00/77/83/437007783.db2.gz XELKDOFASNQMBR-UHFFFAOYSA-N 1 1 334.401 0.569 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000297532694 437008819 /nfs/dbraw/zinc/00/88/19/437008819.db2.gz XWQCEVKXFGQKFQ-LLVKDONJSA-N 1 1 328.413 0.843 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000297532694 437008822 /nfs/dbraw/zinc/00/88/22/437008822.db2.gz XWQCEVKXFGQKFQ-LLVKDONJSA-N 1 1 328.413 0.843 20 30 ECEDMO N#Cc1ccc(OCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264511302 437039902 /nfs/dbraw/zinc/03/99/02/437039902.db2.gz LNQBIESGYWGCFZ-HNNXBMFYSA-N 1 1 330.388 0.393 20 30 ECEDMO Cn1cc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000173472024 437052732 /nfs/dbraw/zinc/05/27/32/437052732.db2.gz QFJBNINSIYIQRJ-UHFFFAOYSA-N 1 1 333.417 0.702 20 30 ECEDMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000173472024 437052734 /nfs/dbraw/zinc/05/27/34/437052734.db2.gz QFJBNINSIYIQRJ-UHFFFAOYSA-N 1 1 333.417 0.702 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000286422556 437089885 /nfs/dbraw/zinc/08/98/85/437089885.db2.gz GLMTZXRVJLHPAJ-ZDUSSCGKSA-N 1 1 343.493 0.325 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000286422556 437089888 /nfs/dbraw/zinc/08/98/88/437089888.db2.gz GLMTZXRVJLHPAJ-ZDUSSCGKSA-N 1 1 343.493 0.325 20 30 ECEDMO C#CCNC(=O)c1ccc(NC2CC[NH+](CCN(C)C)CC2)nc1 ZINC000264875142 437099100 /nfs/dbraw/zinc/09/91/00/437099100.db2.gz PTIWQNAYEINTLB-UHFFFAOYSA-N 1 1 329.448 0.883 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000286490735 437094368 /nfs/dbraw/zinc/09/43/68/437094368.db2.gz CVKUOUZEXHZMRL-UHFFFAOYSA-N 1 1 339.417 0.884 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000286630884 437112643 /nfs/dbraw/zinc/11/26/43/437112643.db2.gz ZRBLKDLJGBHWEV-KGLIPLIRSA-N 1 1 325.478 0.965 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000286655281 437113680 /nfs/dbraw/zinc/11/36/80/437113680.db2.gz NPVWRTBBUFNGFS-CQSZACIVSA-N 1 1 331.420 0.670 20 30 ECEDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000301654823 437129123 /nfs/dbraw/zinc/12/91/23/437129123.db2.gz ANGPZSOVIZAGNT-LBPRGKRZSA-N 1 1 342.403 0.148 20 30 ECEDMO CC[C@H]1CN(C(=O)Cc2noc(C)c2C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000332160631 437208351 /nfs/dbraw/zinc/20/83/51/437208351.db2.gz IYZOSYSDDDZGDJ-BBRMVZONSA-N 1 1 332.404 0.966 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000178412452 437214915 /nfs/dbraw/zinc/21/49/15/437214915.db2.gz YWYJZEPNZQQVBE-UHFFFAOYSA-N 1 1 343.431 0.559 20 30 ECEDMO C#CCNc1nc(N[C@H](C)[C@H](C)CO)nc(N[C@H](C)[C@H](C)CO)[nH+]1 ZINC000287147875 437166167 /nfs/dbraw/zinc/16/61/67/437166167.db2.gz DZWJCMIAFLCKRR-FDYHWXHSSA-N 1 1 336.440 0.774 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 ZINC000179553705 437268790 /nfs/dbraw/zinc/26/87/90/437268790.db2.gz XPSYLVMPBDNLGX-ZDUSSCGKSA-N 1 1 332.408 0.875 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)N(C(C)=O)C1 ZINC000328607639 437239962 /nfs/dbraw/zinc/23/99/62/437239962.db2.gz LIGSEKNVERWBBV-HRCADAONSA-N 1 1 341.452 0.936 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000278326339 437304634 /nfs/dbraw/zinc/30/46/34/437304634.db2.gz NWPBLFIFAWGMKK-CVEARBPZSA-N 1 1 326.437 0.533 20 30 ECEDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000336918778 437311445 /nfs/dbraw/zinc/31/14/45/437311445.db2.gz OTSPQXFMDWTXBO-CQSZACIVSA-N 1 1 344.481 0.509 20 30 ECEDMO C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000180670442 437298478 /nfs/dbraw/zinc/29/84/78/437298478.db2.gz MXPWSXBEXJMCDP-HUUCEWRRSA-N 1 1 340.468 0.725 20 30 ECEDMO C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1nnc2ccccn21 ZINC000329361283 437357385 /nfs/dbraw/zinc/35/73/85/437357385.db2.gz ILPWQFSBGXAZJS-STQMWFEESA-N 1 1 331.424 0.540 20 30 ECEDMO Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329415929 437366597 /nfs/dbraw/zinc/36/65/97/437366597.db2.gz DAZUKLNSOQQVDV-FRRDWIJNSA-N 1 1 331.380 0.355 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329485929 437375194 /nfs/dbraw/zinc/37/51/94/437375194.db2.gz SVHVUCHTWLOBGM-QLFBSQMISA-N 1 1 339.436 0.834 20 30 ECEDMO O=C(CN1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000329216876 437335112 /nfs/dbraw/zinc/33/51/12/437335112.db2.gz PFALLUOGWIAHRL-HNNXBMFYSA-N 1 1 343.493 0.938 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000337160917 437337487 /nfs/dbraw/zinc/33/74/87/437337487.db2.gz UBNQUMNPHPFULD-KGLIPLIRSA-N 1 1 344.481 0.508 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000337162879 437337920 /nfs/dbraw/zinc/33/79/20/437337920.db2.gz WDXPLORAKJLAGH-CABCVRRESA-N 1 1 346.497 0.803 20 30 ECEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000337171949 437338115 /nfs/dbraw/zinc/33/81/15/437338115.db2.gz GGKJBYCJGPLNBP-MCIONIFRSA-N 1 1 330.454 0.166 20 30 ECEDMO Cc1[nH+]ccn1C[C@H](C)CNC([O-])=[NH+][C@H]1CCCS(=O)(=O)C1 ZINC000329777141 437412299 /nfs/dbraw/zinc/41/22/99/437412299.db2.gz KIHOTPDYPYBXNX-YPMHNXCESA-N 1 1 328.438 0.908 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000329885318 437424984 /nfs/dbraw/zinc/42/49/84/437424984.db2.gz UKVKVXRWMDQOOF-RWMBFGLXSA-N 1 1 333.454 0.476 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CCO)c2ccco2)CC1 ZINC000185129503 437427007 /nfs/dbraw/zinc/42/70/07/437427007.db2.gz ZGEADXASYBHVQA-HZPDHXFCSA-N 1 1 348.447 0.985 20 30 ECEDMO COCC[NH+]1CCC(NC(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)CC1 ZINC000329613961 437391787 /nfs/dbraw/zinc/39/17/87/437391787.db2.gz OYYNNIGOQFXFSP-STQMWFEESA-N 1 1 347.481 0.519 20 30 ECEDMO NS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000329943813 437434450 /nfs/dbraw/zinc/43/44/50/437434450.db2.gz IAUJBNZZXQPTPM-AWEZNQCLSA-N 1 1 344.481 0.875 20 30 ECEDMO CCCN1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000329968589 437440444 /nfs/dbraw/zinc/44/04/44/437440444.db2.gz WTMJUSFOBIYQRU-AWEZNQCLSA-N 1 1 325.457 0.091 20 30 ECEDMO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000329980893 437441732 /nfs/dbraw/zinc/44/17/32/437441732.db2.gz MFCTUKIMSZLHQJ-HIFRSBDPSA-N 1 1 349.483 0.951 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000329994122 437443187 /nfs/dbraw/zinc/44/31/87/437443187.db2.gz ZCAPZQMMVWXZAT-OWCLPIDISA-N 1 1 325.501 0.999 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000329994122 437443190 /nfs/dbraw/zinc/44/31/90/437443190.db2.gz ZCAPZQMMVWXZAT-OWCLPIDISA-N 1 1 325.501 0.999 20 30 ECEDMO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CCOCCC#N)C1 ZINC000339114132 437443930 /nfs/dbraw/zinc/44/39/30/437443930.db2.gz MDNRYJIJIMRNPP-AWEZNQCLSA-N 1 1 349.435 0.896 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000330003950 437444429 /nfs/dbraw/zinc/44/44/29/437444429.db2.gz ARIOTSLDNRJQEG-ZIAGYGMSSA-N 1 1 346.497 0.741 20 30 ECEDMO C=C[C@@H](CO)NC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000290070762 437460932 /nfs/dbraw/zinc/46/09/32/437460932.db2.gz BNQKSSVQEWFUCU-ZFWWWQNUSA-N 1 1 332.404 0.805 20 30 ECEDMO C=C[C@@H](CO)NC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000290070762 437460935 /nfs/dbraw/zinc/46/09/35/437460935.db2.gz BNQKSSVQEWFUCU-ZFWWWQNUSA-N 1 1 332.404 0.805 20 30 ECEDMO COCCO[C@@H]1COCC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000330192726 437466968 /nfs/dbraw/zinc/46/69/68/437466968.db2.gz YBVULAITJLKZSW-QKPAOTATSA-N 1 1 341.452 0.889 20 30 ECEDMO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000330412575 437504891 /nfs/dbraw/zinc/50/48/91/437504891.db2.gz SIDJGNVCLICPRF-XQLPTFJDSA-N 1 1 341.452 0.923 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000354051382 437512655 /nfs/dbraw/zinc/51/26/55/437512655.db2.gz FWLWUUPNAZMESE-HOTGVXAUSA-N 1 1 335.448 0.852 20 30 ECEDMO CCS(=O)(=O)NCCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330468230 437522002 /nfs/dbraw/zinc/52/20/02/437522002.db2.gz KARDVJMNQYBOHU-OLZOCXBDSA-N 1 1 332.470 0.446 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(c2[nH+]ccn2C)CC1 ZINC000330523838 437538316 /nfs/dbraw/zinc/53/83/16/437538316.db2.gz PKBGMLXEUWFDQD-YOEHRIQHSA-N 1 1 332.452 0.985 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cccc(C#N)c2)CC1=O ZINC000354136196 437540620 /nfs/dbraw/zinc/54/06/20/437540620.db2.gz AWWMXBXNUKPTQK-INIZCTEOSA-N 1 1 344.415 0.467 20 30 ECEDMO CC(C)[C@@H](CNC(=O)C(=O)NCCCCC#N)[NH+]1CCN(C)CC1 ZINC000340002799 437544470 /nfs/dbraw/zinc/54/44/70/437544470.db2.gz RVESOYGZQURILB-OAHLLOKOSA-N 1 1 337.468 0.185 20 30 ECEDMO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000330867913 437637845 /nfs/dbraw/zinc/63/78/45/437637845.db2.gz WBCMCPIMVNSNEY-KGLIPLIRSA-N 1 1 347.481 0.520 20 30 ECEDMO CN1CCO[C@@H](CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000330919567 437650125 /nfs/dbraw/zinc/65/01/25/437650125.db2.gz YUYSWCGBPGWEHW-HNNXBMFYSA-N 1 1 328.457 0.010 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000355050816 437666550 /nfs/dbraw/zinc/66/65/50/437666550.db2.gz FYOBKNQFFAWTHM-STQMWFEESA-N 1 1 348.407 0.320 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000355050816 437666553 /nfs/dbraw/zinc/66/65/53/437666553.db2.gz FYOBKNQFFAWTHM-STQMWFEESA-N 1 1 348.407 0.320 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1 ZINC000343928552 437700752 /nfs/dbraw/zinc/70/07/52/437700752.db2.gz VUWYQUVDYPXVFY-RDJZCZTQSA-N 1 1 348.491 0.696 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000193576802 437712453 /nfs/dbraw/zinc/71/24/53/437712453.db2.gz KUHATLKZWIIFIT-OAHLLOKOSA-N 1 1 327.388 0.332 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC(=O)NCC#N ZINC000344869844 437765720 /nfs/dbraw/zinc/76/57/20/437765720.db2.gz DFKYBOCNPPQEQM-CQSZACIVSA-N 1 1 329.404 0.542 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC(=O)NCC#N ZINC000344869844 437765723 /nfs/dbraw/zinc/76/57/23/437765723.db2.gz DFKYBOCNPPQEQM-CQSZACIVSA-N 1 1 329.404 0.542 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000331227366 437722006 /nfs/dbraw/zinc/72/20/06/437722006.db2.gz FZFZJZWZDQPQFA-NWDGAFQWSA-N 1 1 348.469 0.219 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000331227366 437722009 /nfs/dbraw/zinc/72/20/09/437722009.db2.gz FZFZJZWZDQPQFA-NWDGAFQWSA-N 1 1 348.469 0.219 20 30 ECEDMO CO[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1OC ZINC000331261628 437729444 /nfs/dbraw/zinc/72/94/44/437729444.db2.gz CFJBQCYWVBJHAP-OKILXGFUSA-N 1 1 328.457 0.272 20 30 ECEDMO CC[N@@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)C(C)C)CC1 ZINC000331280892 437731740 /nfs/dbraw/zinc/73/17/40/437731740.db2.gz BYZUZATYAPRLTF-UHFFFAOYSA-N 1 1 334.486 0.644 20 30 ECEDMO COC(=O)[C@H]1CC[C@@H](NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000331319164 437740814 /nfs/dbraw/zinc/74/08/14/437740814.db2.gz ZSZJDNKLKNMWPF-UONOGXRCSA-N 1 1 340.468 0.858 20 30 ECEDMO C#CCNC(=O)C1CC[NH+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000363285943 437779748 /nfs/dbraw/zinc/77/97/48/437779748.db2.gz WZCKZUDHVHSDHE-OAHLLOKOSA-N 1 1 343.431 0.295 20 30 ECEDMO CC(C)[C@@H](CNC(=O)CNc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000345519608 437793504 /nfs/dbraw/zinc/79/35/04/437793504.db2.gz FKSKHYIQKMDSFV-OAHLLOKOSA-N 1 1 331.420 0.838 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000363545683 437797774 /nfs/dbraw/zinc/79/77/74/437797774.db2.gz NDAKLOKFGLXSHZ-HNNXBMFYSA-N 1 1 330.436 0.997 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000363545683 437797776 /nfs/dbraw/zinc/79/77/76/437797776.db2.gz NDAKLOKFGLXSHZ-HNNXBMFYSA-N 1 1 330.436 0.997 20 30 ECEDMO C[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000346293304 437806596 /nfs/dbraw/zinc/80/65/96/437806596.db2.gz BRUXAVFVHLHKQR-OAHLLOKOSA-N 1 1 335.429 0.541 20 30 ECEDMO CC#CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000423706900 437808990 /nfs/dbraw/zinc/80/89/90/437808990.db2.gz NLHTVCATKOBJAL-OAHLLOKOSA-N 1 1 329.400 0.650 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364239066 437813472 /nfs/dbraw/zinc/81/34/72/437813472.db2.gz GSFKGROUWYJNMY-UHFFFAOYSA-N 1 1 334.420 0.914 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364239066 437813474 /nfs/dbraw/zinc/81/34/74/437813474.db2.gz GSFKGROUWYJNMY-UHFFFAOYSA-N 1 1 334.420 0.914 20 30 ECEDMO N#Cc1nc(N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1Cl ZINC000364320411 437815394 /nfs/dbraw/zinc/81/53/94/437815394.db2.gz JZATXZFKJAVASG-ZDUSSCGKSA-N 1 1 335.839 1.425 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000371296598 437913530 /nfs/dbraw/zinc/91/35/30/437913530.db2.gz ATEOVWRSFMNDLA-DLBZAZTESA-N 1 1 341.411 0.976 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000371296598 437913536 /nfs/dbraw/zinc/91/35/36/437913536.db2.gz ATEOVWRSFMNDLA-DLBZAZTESA-N 1 1 341.411 0.976 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000371321031 437916421 /nfs/dbraw/zinc/91/64/21/437916421.db2.gz MMWBZFZMDWMXBP-WBVHZDCISA-N 1 1 348.491 0.990 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[C@H]2N2CCOCC2)CC1 ZINC000371566445 437958302 /nfs/dbraw/zinc/95/83/02/437958302.db2.gz WUNMOCNLIKUGQO-QZTJIDSGSA-N 1 1 333.476 0.949 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)C1 ZINC000365724858 437960719 /nfs/dbraw/zinc/96/07/19/437960719.db2.gz ODCRABXJJSADJK-RDJZCZTQSA-N 1 1 328.416 0.974 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)C1 ZINC000365724858 437960725 /nfs/dbraw/zinc/96/07/25/437960725.db2.gz ODCRABXJJSADJK-RDJZCZTQSA-N 1 1 328.416 0.974 20 30 ECEDMO COC(=O)[C@@H]1CC[N@@H+](CC#CCN2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000342117364 437971362 /nfs/dbraw/zinc/97/13/62/437971362.db2.gz AVFNSJMAVGQGFM-YHUYYLMFSA-N 1 1 336.432 0.757 20 30 ECEDMO COC(=O)[C@@H]1CC[N@H+](CC#CCN2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000342117364 437971366 /nfs/dbraw/zinc/97/13/66/437971366.db2.gz AVFNSJMAVGQGFM-YHUYYLMFSA-N 1 1 336.432 0.757 20 30 ECEDMO COC(=O)[C@@H]1CCN(CC#CC[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000342117364 437971368 /nfs/dbraw/zinc/97/13/68/437971368.db2.gz AVFNSJMAVGQGFM-YHUYYLMFSA-N 1 1 336.432 0.757 20 30 ECEDMO COC(=O)[C@@H]1CCN(CC#CC[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000342117364 437971374 /nfs/dbraw/zinc/97/13/74/437971374.db2.gz AVFNSJMAVGQGFM-YHUYYLMFSA-N 1 1 336.432 0.757 20 30 ECEDMO C=CCCCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000342512132 438024519 /nfs/dbraw/zinc/02/45/19/438024519.db2.gz PJHPFFHYBBRJFB-MRXNPFEDSA-N 1 1 336.480 0.697 20 30 ECEDMO C=CCn1cc(CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)nn1 ZINC000425497602 438027953 /nfs/dbraw/zinc/02/79/53/438027953.db2.gz DFLCAUYORGGEQQ-CQSZACIVSA-N 1 1 335.456 0.289 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nn1 ZINC000425561433 438028464 /nfs/dbraw/zinc/02/84/64/438028464.db2.gz BHGFHKLYLJVPOV-OAHLLOKOSA-N 1 1 336.440 0.620 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C)[C@H](C#N)C3)C2)CC1 ZINC000372224069 438051216 /nfs/dbraw/zinc/05/12/16/438051216.db2.gz WDPICRVXKZJABI-GOEBONIOSA-N 1 1 334.468 0.004 20 30 ECEDMO CN1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C#N ZINC000372224069 438051224 /nfs/dbraw/zinc/05/12/24/438051224.db2.gz WDPICRVXKZJABI-GOEBONIOSA-N 1 1 334.468 0.004 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426127727 438049366 /nfs/dbraw/zinc/04/93/66/438049366.db2.gz NGUXIOKNGNIDNJ-WDEREUQCSA-N 1 1 334.342 0.747 20 30 ECEDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CCC(=O)N(C)CCC#N ZINC000372273662 438059071 /nfs/dbraw/zinc/05/90/71/438059071.db2.gz NIFCOXZORLRQEI-KGLIPLIRSA-N 1 1 325.409 0.791 20 30 ECEDMO C=CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372599221 438103912 /nfs/dbraw/zinc/10/39/12/438103912.db2.gz IZXXNLZMWHWTPC-INIZCTEOSA-N 1 1 326.404 0.962 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366446529 438074764 /nfs/dbraw/zinc/07/47/64/438074764.db2.gz SYBJTZSRXDGKPV-QWHCGFSZSA-N 1 1 329.356 0.540 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000430561321 438112632 /nfs/dbraw/zinc/11/26/32/438112632.db2.gz ZZBUUGLQKUGSKB-JYJNAYRXSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000430561321 438112634 /nfs/dbraw/zinc/11/26/34/438112634.db2.gz ZZBUUGLQKUGSKB-JYJNAYRXSA-N 1 1 337.464 0.882 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358204120 438179758 /nfs/dbraw/zinc/17/97/58/438179758.db2.gz FMUAKBBQAUZHPO-IPYPFGDCSA-N 1 1 344.481 0.430 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358204120 438179760 /nfs/dbraw/zinc/17/97/60/438179760.db2.gz FMUAKBBQAUZHPO-IPYPFGDCSA-N 1 1 344.481 0.430 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000358204168 438179833 /nfs/dbraw/zinc/17/98/33/438179833.db2.gz UGTPOEKDGXLXPT-ZDUSSCGKSA-N 1 1 329.809 0.557 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000358229052 438186053 /nfs/dbraw/zinc/18/60/53/438186053.db2.gz QWFUQUDGZIMHMP-CYBMUJFWSA-N 1 1 329.809 0.557 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)n1 ZINC000375067798 438242126 /nfs/dbraw/zinc/24/21/26/438242126.db2.gz ZAPHLJMVCPGNQB-OCCSQVGLSA-N 1 1 344.419 0.827 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCOCC3)CC2)o1 ZINC000376620914 438287743 /nfs/dbraw/zinc/28/77/43/438287743.db2.gz VBINXPHCEQPODE-UHFFFAOYSA-N 1 1 333.392 0.226 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCOCC3)CC2)o1 ZINC000376620914 438287754 /nfs/dbraw/zinc/28/77/54/438287754.db2.gz VBINXPHCEQPODE-UHFFFAOYSA-N 1 1 333.392 0.226 20 30 ECEDMO C#CCC(CC#C)C(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000376795364 438292265 /nfs/dbraw/zinc/29/22/65/438292265.db2.gz CMOSFJTZXGIICU-QGZVFWFLSA-N 1 1 329.444 0.662 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000367793083 438250468 /nfs/dbraw/zinc/25/04/68/438250468.db2.gz PIXHXDNGMALEGB-KGLIPLIRSA-N 1 1 329.466 0.713 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000377929071 438332831 /nfs/dbraw/zinc/33/28/31/438332831.db2.gz UMWALAYAOJHPGQ-LJQANCHMSA-N 1 1 341.455 0.733 20 30 ECEDMO N#CCNC(=O)CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377083053 438301454 /nfs/dbraw/zinc/30/14/54/438301454.db2.gz XEVHJYPDJWBFLO-IYBDPMFKSA-N 1 1 341.415 0.400 20 30 ECEDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC(=O)NCC#N ZINC000377108757 438302354 /nfs/dbraw/zinc/30/23/54/438302354.db2.gz RYAPJXPVQAKEGG-CYBMUJFWSA-N 1 1 332.408 0.820 20 30 ECEDMO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000377560137 438310468 /nfs/dbraw/zinc/31/04/68/438310468.db2.gz DHDITRSKFKCFOU-UHFFFAOYSA-N 1 1 332.408 0.745 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C[C@@H]21 ZINC000368591790 438353128 /nfs/dbraw/zinc/35/31/28/438353128.db2.gz MWJLIFTVEJMZAP-ZBFHGGJFSA-N 1 1 326.400 0.841 20 30 ECEDMO C=C(C)CS(=O)(=O)N1CCN(C[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000369184851 438433301 /nfs/dbraw/zinc/43/33/01/438433301.db2.gz SGBAKMPDNIMVHQ-OAHLLOKOSA-N 1 1 331.482 0.231 20 30 ECEDMO C=C(C)CS(=O)(=O)N1CCN(C[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369184851 438433307 /nfs/dbraw/zinc/43/33/07/438433307.db2.gz SGBAKMPDNIMVHQ-OAHLLOKOSA-N 1 1 331.482 0.231 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000407955299 438472780 /nfs/dbraw/zinc/47/27/80/438472780.db2.gz HQOQEYQOQHOOPM-STQMWFEESA-N 1 1 332.470 0.100 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000407955299 438472786 /nfs/dbraw/zinc/47/27/86/438472786.db2.gz HQOQEYQOQHOOPM-STQMWFEESA-N 1 1 332.470 0.100 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000407955293 438472889 /nfs/dbraw/zinc/47/28/89/438472889.db2.gz HQOQEYQOQHOOPM-OLZOCXBDSA-N 1 1 332.470 0.100 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000407955293 438472894 /nfs/dbraw/zinc/47/28/94/438472894.db2.gz HQOQEYQOQHOOPM-OLZOCXBDSA-N 1 1 332.470 0.100 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CCN2C1=O ZINC000369453358 438476563 /nfs/dbraw/zinc/47/65/63/438476563.db2.gz UQCLMAHRJYLTGE-CQSZACIVSA-N 1 1 341.371 0.465 20 30 ECEDMO N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369346614 438458716 /nfs/dbraw/zinc/45/87/16/438458716.db2.gz NMZCONJIEUCYJD-CQSZACIVSA-N 1 1 346.391 0.680 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CCCCC#N)CC2)C1 ZINC000369357305 438459066 /nfs/dbraw/zinc/45/90/66/438459066.db2.gz FPMYJQJARIBRMS-OAHLLOKOSA-N 1 1 328.482 0.722 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1C#N ZINC000369802583 438515873 /nfs/dbraw/zinc/51/58/73/438515873.db2.gz DMAWSCLGTPWDJU-KGLIPLIRSA-N 1 1 342.399 0.785 20 30 ECEDMO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000408432283 438573295 /nfs/dbraw/zinc/57/32/95/438573295.db2.gz MJGRJOOUGPRLNE-LLVKDONJSA-N 1 1 336.373 0.935 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000447395080 438676642 /nfs/dbraw/zinc/67/66/42/438676642.db2.gz RNDGUQNTNPPEQR-FRFSOERESA-N 1 1 339.436 0.141 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000447395080 438676646 /nfs/dbraw/zinc/67/66/46/438676646.db2.gz RNDGUQNTNPPEQR-FRFSOERESA-N 1 1 339.436 0.141 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1)C1CC1 ZINC000411967010 438684232 /nfs/dbraw/zinc/68/42/32/438684232.db2.gz HPVWLZQCJYJIHA-MOPGFXCFSA-N 1 1 340.427 0.924 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000453641740 438687053 /nfs/dbraw/zinc/68/70/53/438687053.db2.gz AVEADZWXCVGKCF-CQSZACIVSA-N 1 1 344.415 0.890 20 30 ECEDMO CCOC(=O)[C@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC12COC2 ZINC000451140003 438696883 /nfs/dbraw/zinc/69/68/83/438696883.db2.gz SQYYSIGSGNYEIP-CZUORRHYSA-N 1 1 337.420 0.552 20 30 ECEDMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC12COC2 ZINC000451140003 438696885 /nfs/dbraw/zinc/69/68/85/438696885.db2.gz SQYYSIGSGNYEIP-CZUORRHYSA-N 1 1 337.420 0.552 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000451441282 438698155 /nfs/dbraw/zinc/69/81/55/438698155.db2.gz YIPQYEWZGOESPP-XJKSGUPXSA-N 1 1 344.406 0.381 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000451441282 438698158 /nfs/dbraw/zinc/69/81/58/438698158.db2.gz YIPQYEWZGOESPP-XJKSGUPXSA-N 1 1 344.406 0.381 20 30 ECEDMO COC(=O)c1ccc(-c2nnn(C[C@@H](O)C[N@H+](C)CCC#N)n2)cc1 ZINC000414141218 438699583 /nfs/dbraw/zinc/69/95/83/438699583.db2.gz JZUZADPPCKXLMY-AWEZNQCLSA-N 1 1 344.375 0.333 20 30 ECEDMO COC(=O)c1ccc(-c2nnn(C[C@@H](O)C[N@@H+](C)CCC#N)n2)cc1 ZINC000414141218 438699585 /nfs/dbraw/zinc/69/95/85/438699585.db2.gz JZUZADPPCKXLMY-AWEZNQCLSA-N 1 1 344.375 0.333 20 30 ECEDMO COC(=O)[C@H]([N@H+](C)CCCc1[nH]nc(N)c1C#N)C1(OC)CCC1 ZINC000556776916 438789112 /nfs/dbraw/zinc/78/91/12/438789112.db2.gz AVHLQQYNYIVFCB-ZDUSSCGKSA-N 1 1 335.408 0.839 20 30 ECEDMO COC(=O)[C@H]([N@@H+](C)CCCc1[nH]nc(N)c1C#N)C1(OC)CCC1 ZINC000556776916 438789116 /nfs/dbraw/zinc/78/91/16/438789116.db2.gz AVHLQQYNYIVFCB-ZDUSSCGKSA-N 1 1 335.408 0.839 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCCCC#N)CC2)C1 ZINC000588053392 438816320 /nfs/dbraw/zinc/81/63/20/438816320.db2.gz BLWWTKKRAZJBPF-HNNXBMFYSA-N 1 1 335.452 0.035 20 30 ECEDMO C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000558664578 438818656 /nfs/dbraw/zinc/81/86/56/438818656.db2.gz QTYDBRCIAPMFKD-AWEZNQCLSA-N 1 1 346.435 0.221 20 30 ECEDMO C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000558664578 438818659 /nfs/dbraw/zinc/81/86/59/438818659.db2.gz QTYDBRCIAPMFKD-AWEZNQCLSA-N 1 1 346.435 0.221 20 30 ECEDMO CN(CCCNC(=O)C[N@@H+]1CCC[C@H](CC#N)C1)S(C)(=O)=O ZINC000595614688 438833332 /nfs/dbraw/zinc/83/33/32/438833332.db2.gz MOWTYUJTBHDWIS-CYBMUJFWSA-N 1 1 330.454 0.010 20 30 ECEDMO CN(CCCNC(=O)C[N@H+]1CCC[C@H](CC#N)C1)S(C)(=O)=O ZINC000595614688 438833337 /nfs/dbraw/zinc/83/33/37/438833337.db2.gz MOWTYUJTBHDWIS-CYBMUJFWSA-N 1 1 330.454 0.010 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@@H](CC#N)C1)c(=O)n2C ZINC000595616133 438834069 /nfs/dbraw/zinc/83/40/69/438834069.db2.gz PZDFZXKPIYAMSX-ZDUSSCGKSA-N 1 1 344.419 0.449 20 30 ECEDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000595668950 438843328 /nfs/dbraw/zinc/84/33/28/438843328.db2.gz DWIFZZUXTQMTIY-GOEBONIOSA-N 1 1 331.372 0.853 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000588897240 438849298 /nfs/dbraw/zinc/84/92/98/438849298.db2.gz JLPNDWZMJRYVKH-IRXDYDNUSA-N 1 1 349.456 0.919 20 30 ECEDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000564988749 438901434 /nfs/dbraw/zinc/90/14/34/438901434.db2.gz HLOYWXXVBSEDOT-INIZCTEOSA-N 1 1 347.419 0.835 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cn2cc[nH+]c12 ZINC000590223754 438904725 /nfs/dbraw/zinc/90/47/25/438904725.db2.gz ZPSDTIFROGPBRI-UHFFFAOYSA-N 1 1 340.387 0.685 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590279230 438905136 /nfs/dbraw/zinc/90/51/36/438905136.db2.gz AOFRLLZJOGHEKO-JSGCOSHPSA-N 1 1 328.372 0.668 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(CCC#N)CC2)[C@H](C)C1 ZINC000601465471 438906737 /nfs/dbraw/zinc/90/67/37/438906737.db2.gz TVRWDXBDPMWNEE-CVEARBPZSA-N 1 1 349.479 0.233 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(CCC#N)CC2)CC1 ZINC000563037393 438857976 /nfs/dbraw/zinc/85/79/76/438857976.db2.gz AUSLBWQBBATDET-UHFFFAOYSA-N 1 1 335.452 0.876 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000563141622 438861450 /nfs/dbraw/zinc/86/14/50/438861450.db2.gz LPVPNROENHPYMT-GOSISDBHSA-N 1 1 347.459 0.929 20 30 ECEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000563255432 438861861 /nfs/dbraw/zinc/86/18/61/438861861.db2.gz HLCYUEFCPPIBKO-GJZGRUSLSA-N 1 1 342.465 0.119 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCC1 ZINC000589223534 438862930 /nfs/dbraw/zinc/86/29/30/438862930.db2.gz UQIAPOUNEAWAHJ-AWEZNQCLSA-N 1 1 327.450 0.664 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000595832816 438867473 /nfs/dbraw/zinc/86/74/73/438867473.db2.gz QPVHZSXSUAUHCU-IKGGRYGDSA-N 1 1 334.464 0.647 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)C1 ZINC000589278638 438868388 /nfs/dbraw/zinc/86/83/88/438868388.db2.gz LCLUUXOJYHHNEU-OAHLLOKOSA-N 1 1 349.460 0.354 20 30 ECEDMO C[C@]1(C#N)CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000595841167 438868990 /nfs/dbraw/zinc/86/89/90/438868990.db2.gz RYTMWDOUNORISR-OAHLLOKOSA-N 1 1 336.417 0.898 20 30 ECEDMO C[C@]1(C#N)CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000595841167 438868993 /nfs/dbraw/zinc/86/89/93/438868993.db2.gz RYTMWDOUNORISR-OAHLLOKOSA-N 1 1 336.417 0.898 20 30 ECEDMO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000563852798 438869238 /nfs/dbraw/zinc/86/92/38/438869238.db2.gz ARXHLQOTFKHJOA-HOTGVXAUSA-N 1 1 339.461 0.568 20 30 ECEDMO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000563852800 438869352 /nfs/dbraw/zinc/86/93/52/438869352.db2.gz ARXHLQOTFKHJOA-JKSUJKDBSA-N 1 1 339.461 0.568 20 30 ECEDMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000589864647 438888062 /nfs/dbraw/zinc/88/80/62/438888062.db2.gz RFALQDBHBGUJAF-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 ZINC000578068737 438893175 /nfs/dbraw/zinc/89/31/75/438893175.db2.gz VLQOQAVUZFYENX-UHFFFAOYSA-N 1 1 345.403 0.461 20 30 ECEDMO Cn1ncc(C#N)c1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000596071486 438923182 /nfs/dbraw/zinc/92/31/82/438923182.db2.gz NTWYJKCJFKQURG-UHFFFAOYSA-N 1 1 326.408 0.706 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)c1C#N ZINC000565372549 438947320 /nfs/dbraw/zinc/94/73/20/438947320.db2.gz LCGXNENFTHVQHC-CYBMUJFWSA-N 1 1 330.436 0.591 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000459826154 439010642 /nfs/dbraw/zinc/01/06/42/439010642.db2.gz WBCHASDCZVXWFB-LSDHHAIUSA-N 1 1 325.453 0.715 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000459826154 439010650 /nfs/dbraw/zinc/01/06/50/439010650.db2.gz WBCHASDCZVXWFB-LSDHHAIUSA-N 1 1 325.453 0.715 20 30 ECEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1C ZINC000459702513 438989744 /nfs/dbraw/zinc/98/97/44/438989744.db2.gz OXUYXEYLPIPGJG-RDJZCZTQSA-N 1 1 331.416 0.835 20 30 ECEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)[C@H](CO)C2)c1C ZINC000459702513 438989751 /nfs/dbraw/zinc/98/97/51/438989751.db2.gz OXUYXEYLPIPGJG-RDJZCZTQSA-N 1 1 331.416 0.835 20 30 ECEDMO CN1CC[NH+](CCCCNS(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000579287822 438997088 /nfs/dbraw/zinc/99/70/88/438997088.db2.gz VXAUMQMZVWNWRG-UHFFFAOYSA-N 1 1 330.498 0.873 20 30 ECEDMO N#CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000602244719 439046465 /nfs/dbraw/zinc/04/64/65/439046465.db2.gz IENNPBFIPWXFNU-INIZCTEOSA-N 1 1 347.463 0.224 20 30 ECEDMO CN1CCN(C[C@@H](O)C[NH2+]CCSCc2ccccc2C#N)CC1 ZINC000519775098 439062239 /nfs/dbraw/zinc/06/22/39/439062239.db2.gz ZWUXZLDDFFHUAA-SFHVURJKSA-N 1 1 348.516 0.989 20 30 ECEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(CCC#N)CC1 ZINC000602207411 439039025 /nfs/dbraw/zinc/03/90/25/439039025.db2.gz VWROMSAGLIRTLU-UHFFFAOYSA-N 1 1 341.419 0.894 20 30 ECEDMO CCn1cc(C[N@@H+](CCO)C[C@@H]2CNc3c(C#N)cnn3C2)cn1 ZINC000580646104 439115556 /nfs/dbraw/zinc/11/55/56/439115556.db2.gz APKAGIZQZFXWCF-ZDUSSCGKSA-N 1 1 329.408 0.507 20 30 ECEDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597330236 439079313 /nfs/dbraw/zinc/07/93/13/439079313.db2.gz YZRXLGINWCHUAA-AWEZNQCLSA-N 1 1 337.420 0.793 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)n2)C1 ZINC000566736709 439085162 /nfs/dbraw/zinc/08/51/62/439085162.db2.gz KZLIWNGQNVYLJG-AWEZNQCLSA-N 1 1 345.403 0.365 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@H]3CCc4ncnn43)CC2)c1C#N ZINC000602817699 439140412 /nfs/dbraw/zinc/14/04/12/439140412.db2.gz VTTNXPYMFAJAHB-CYBMUJFWSA-N 1 1 326.408 0.501 20 30 ECEDMO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000597625570 439141515 /nfs/dbraw/zinc/14/15/15/439141515.db2.gz PJPRODITLMVKDD-HOCLYGCPSA-N 1 1 328.416 0.832 20 30 ECEDMO COC(=O)CCN1CCC[C@@H]([N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602850209 439145629 /nfs/dbraw/zinc/14/56/29/439145629.db2.gz PNOYSIQPWGGICF-QLFBSQMISA-N 1 1 336.436 0.459 20 30 ECEDMO COC(=O)CCN1CCC[C@@H]([N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602850209 439145634 /nfs/dbraw/zinc/14/56/34/439145634.db2.gz PNOYSIQPWGGICF-QLFBSQMISA-N 1 1 336.436 0.459 20 30 ECEDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000602900268 439155587 /nfs/dbraw/zinc/15/55/87/439155587.db2.gz SFOHPMVGJDBWRT-JFIYKMOQSA-N 1 1 329.400 0.871 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592150570 439165965 /nfs/dbraw/zinc/16/59/65/439165965.db2.gz GVCUUUZJTZZHCF-VBQJREDUSA-N 1 1 337.420 0.527 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592150570 439165969 /nfs/dbraw/zinc/16/59/69/439165969.db2.gz GVCUUUZJTZZHCF-VBQJREDUSA-N 1 1 337.420 0.527 20 30 ECEDMO COCC(=O)NC1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000603681831 439277852 /nfs/dbraw/zinc/27/78/52/439277852.db2.gz LDPZDCRHCFSLLC-CXAGYDPISA-N 1 1 338.452 0.656 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000527050787 439250064 /nfs/dbraw/zinc/25/00/64/439250064.db2.gz CRJGFIWDIWQDPU-HUUCEWRRSA-N 1 1 348.447 0.508 20 30 ECEDMO N#CC1(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCC1 ZINC000603436820 439262539 /nfs/dbraw/zinc/26/25/39/439262539.db2.gz RSJDAWKIBKIAPL-MRXNPFEDSA-N 1 1 349.479 0.776 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000490935270 439315918 /nfs/dbraw/zinc/31/59/18/439315918.db2.gz LYXIFOMTSYMMLS-CQSZACIVSA-N 1 1 341.371 0.925 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000598824340 439318027 /nfs/dbraw/zinc/31/80/27/439318027.db2.gz MIAJTYVSSDMLII-UKRRQHHQSA-N 1 1 339.436 0.553 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000598824340 439318031 /nfs/dbraw/zinc/31/80/31/439318031.db2.gz MIAJTYVSSDMLII-UKRRQHHQSA-N 1 1 339.436 0.553 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C[C@H](c3cccnc3)CC2=O)CC1 ZINC000491068693 439327773 /nfs/dbraw/zinc/32/77/73/439327773.db2.gz PWSBIPGHGGRLFV-QGZVFWFLSA-N 1 1 340.427 0.816 20 30 ECEDMO NC(=O)C[C@@H]1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528398451 439332733 /nfs/dbraw/zinc/33/27/33/439332733.db2.gz HBYICPKWMTYBES-AWEZNQCLSA-N 1 1 339.395 0.873 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(CC(C)C)c1C ZINC000491125625 439334062 /nfs/dbraw/zinc/33/40/62/439334062.db2.gz FXIMEGPALCCQEI-UHFFFAOYSA-N 1 1 333.436 0.857 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)cc1 ZINC000569003508 439297817 /nfs/dbraw/zinc/29/78/17/439297817.db2.gz OCCJSNUZVAJQEZ-QZTJIDSGSA-N 1 1 347.459 0.929 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000490851294 439303261 /nfs/dbraw/zinc/30/32/61/439303261.db2.gz GIWHUKOSTVMHJS-TZMCWYRMSA-N 1 1 333.354 0.151 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000490851294 439303265 /nfs/dbraw/zinc/30/32/65/439303265.db2.gz GIWHUKOSTVMHJS-TZMCWYRMSA-N 1 1 333.354 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000490893397 439307473 /nfs/dbraw/zinc/30/74/73/439307473.db2.gz UALSXANPXODISC-ZDUSSCGKSA-N 1 1 335.404 0.738 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000490898641 439309569 /nfs/dbraw/zinc/30/95/69/439309569.db2.gz LJLBIFWNZZFJAK-DLBZAZTESA-N 1 1 329.448 0.543 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000491295283 439362235 /nfs/dbraw/zinc/36/22/35/439362235.db2.gz GIXJDBMZGDUIBY-KZNAEPCWSA-N 1 1 333.476 0.779 20 30 ECEDMO C#C[C@@H](NC(=O)NCCCCN1CC[NH+](CCO)CC1)C(C)(C)C ZINC000491305409 439364474 /nfs/dbraw/zinc/36/44/74/439364474.db2.gz IVTUQSUCUGVQPR-MRXNPFEDSA-N 1 1 338.496 0.724 20 30 ECEDMO C#C[C@@H]1COCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000491297104 439365020 /nfs/dbraw/zinc/36/50/20/439365020.db2.gz OQENLGVZQOBVGO-GOSISDBHSA-N 1 1 327.428 0.908 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)NCCOc2ccccc2)CC1 ZINC000491155984 439339692 /nfs/dbraw/zinc/33/96/92/439339692.db2.gz WRWJWLFWSBWEFF-UHFFFAOYSA-N 1 1 343.427 0.643 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)CC1 ZINC000491241478 439355058 /nfs/dbraw/zinc/35/50/58/439355058.db2.gz JONDCRNQCVDFLD-SJLPKXTDSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)CC1 ZINC000491241478 439355063 /nfs/dbraw/zinc/35/50/63/439355063.db2.gz JONDCRNQCVDFLD-SJLPKXTDSA-N 1 1 335.448 0.034 20 30 ECEDMO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(C#N)c(F)c1 ZINC000599091073 439355430 /nfs/dbraw/zinc/35/54/30/439355430.db2.gz OEJUDKVPPMRYCH-SNVBAGLBSA-N 1 1 326.397 0.839 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000582678018 439367541 /nfs/dbraw/zinc/36/75/41/439367541.db2.gz ZNRHFGDSZNSUKY-KGLIPLIRSA-N 1 1 344.481 0.650 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000582678018 439367547 /nfs/dbraw/zinc/36/75/47/439367547.db2.gz ZNRHFGDSZNSUKY-KGLIPLIRSA-N 1 1 344.481 0.650 20 30 ECEDMO COCCOCC[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000593516297 439391648 /nfs/dbraw/zinc/39/16/48/439391648.db2.gz CWZXUNGKSYVMEH-UHFFFAOYSA-N 1 1 349.391 0.834 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000491452807 439386636 /nfs/dbraw/zinc/38/66/36/439386636.db2.gz NLSUWBRDGXXZJM-MRXNPFEDSA-N 1 1 334.464 0.889 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593565555 439407350 /nfs/dbraw/zinc/40/73/50/439407350.db2.gz HXXDGYHYFMPNAC-UHFFFAOYSA-N 1 1 337.430 0.864 20 30 ECEDMO C#CCNC(=O)CC[NH2+]Cc1ccc(N2CCN(CC)CC2)nc1 ZINC000491464730 439388473 /nfs/dbraw/zinc/38/84/73/439388473.db2.gz SLRCXPHDJQKHQW-UHFFFAOYSA-N 1 1 329.448 0.453 20 30 ECEDMO N#Cc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000599274193 439411372 /nfs/dbraw/zinc/41/13/72/439411372.db2.gz NDZDVPPOTBTURS-AWEZNQCLSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000491622757 439412249 /nfs/dbraw/zinc/41/22/49/439412249.db2.gz FMZYWXDJUYYQIA-INIZCTEOSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CC[NH+](C)CCCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000491661990 439421845 /nfs/dbraw/zinc/42/18/45/439421845.db2.gz GKIRWLKSTJICRQ-IAGOWNOFSA-N 1 1 348.491 0.391 20 30 ECEDMO C[N@H+](C[C@@H](O)COc1ccccc1C#N)C[C@@H]1CCS(=O)(=O)C1 ZINC000599298933 439422806 /nfs/dbraw/zinc/42/28/06/439422806.db2.gz BKIIDFGMIHPDNO-DZGCQCFKSA-N 1 1 338.429 0.664 20 30 ECEDMO C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C[C@@H]1CCS(=O)(=O)C1 ZINC000599298933 439422809 /nfs/dbraw/zinc/42/28/09/439422809.db2.gz BKIIDFGMIHPDNO-DZGCQCFKSA-N 1 1 338.429 0.664 20 30 ECEDMO C#C[C@@H](NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000491673680 439424540 /nfs/dbraw/zinc/42/45/40/439424540.db2.gz URODWQYZTZRTPL-MRXNPFEDSA-N 1 1 334.464 0.840 20 30 ECEDMO C#CCNC(=O)CC[NH2+][C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000491719284 439434612 /nfs/dbraw/zinc/43/46/12/439434612.db2.gz YOCZPXHWZQJAJE-GOSISDBHSA-N 1 1 328.460 0.704 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000491735158 439437447 /nfs/dbraw/zinc/43/74/47/439437447.db2.gz SRVZKNJNAMOYHI-GOSISDBHSA-N 1 1 329.444 0.704 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000599396518 439455808 /nfs/dbraw/zinc/45/58/08/439455808.db2.gz BQOUVENMGXUJLO-GOSISDBHSA-N 1 1 347.415 0.652 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000599396518 439455814 /nfs/dbraw/zinc/45/58/14/439455814.db2.gz BQOUVENMGXUJLO-GOSISDBHSA-N 1 1 347.415 0.652 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000599451792 439474570 /nfs/dbraw/zinc/47/45/70/439474570.db2.gz IIKQGKAAXKRZDF-RBSFLKMASA-N 1 1 334.372 0.154 20 30 ECEDMO CC(C)[C@@H](CNC(=O)Cc1ccc(C#N)nc1)N1CC[NH+](C)CC1 ZINC000599471284 439484253 /nfs/dbraw/zinc/48/42/53/439484253.db2.gz DCUKEGXPAVJLAM-QGZVFWFLSA-N 1 1 329.448 0.884 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCN1S(C)(=O)=O ZINC000599469624 439484307 /nfs/dbraw/zinc/48/43/07/439484307.db2.gz JZERTYWONPNJIC-KGLIPLIRSA-N 1 1 345.465 0.023 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCN1S(C)(=O)=O ZINC000599469624 439484311 /nfs/dbraw/zinc/48/43/11/439484311.db2.gz JZERTYWONPNJIC-KGLIPLIRSA-N 1 1 345.465 0.023 20 30 ECEDMO Cc1oc(NC(=O)[C@H](C)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(C#N)c1C ZINC000594026618 439510626 /nfs/dbraw/zinc/51/06/26/439510626.db2.gz FQLWJTUJAKYDSV-FPMFFAJLSA-N 1 1 332.404 0.846 20 30 ECEDMO CCC1([NH+]2CCOCC2)CCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000599498473 439492991 /nfs/dbraw/zinc/49/29/91/439492991.db2.gz PWRYZRQYKBJSEF-UHFFFAOYSA-N 1 1 344.481 0.653 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1 ZINC000599684853 439535923 /nfs/dbraw/zinc/53/59/23/439535923.db2.gz SHDVWHIZWRMGJZ-BVIKNXMNSA-N 1 1 334.464 0.524 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C)c(C#N)cn2)C1 ZINC000594291151 439535919 /nfs/dbraw/zinc/53/59/19/439535919.db2.gz LNIOMHTWJAUPTP-ZDUSSCGKSA-N 1 1 331.376 0.037 20 30 ECEDMO COCCOCC[NH+]1CCN(c2ccc(C(=O)OC)nc2C#N)CC1 ZINC000594587282 439579941 /nfs/dbraw/zinc/57/99/41/439579941.db2.gz YLIRQXFRZJRUGS-UHFFFAOYSA-N 1 1 348.403 0.525 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1cccc(C#N)c1 ZINC000594621476 439583890 /nfs/dbraw/zinc/58/38/90/439583890.db2.gz WXHVQRWIQWJWNK-UHOFOFEASA-N 1 1 342.399 0.013 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610262834 439606121 /nfs/dbraw/zinc/60/61/21/439606121.db2.gz PMVCDRMBYHPSOI-UHFFFAOYSA-N 1 1 326.378 0.919 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CO)CC(F)(F)F)nc1 ZINC000584719449 439609841 /nfs/dbraw/zinc/60/98/41/439609841.db2.gz GSVBNDULWUDGSR-JTQLQIEISA-N 1 1 337.323 0.630 20 30 ECEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000585777629 439649779 /nfs/dbraw/zinc/64/97/79/439649779.db2.gz FJTPHEVTJWQIML-LSDHHAIUSA-N 1 1 349.479 0.327 20 30 ECEDMO CN(C(=O)C[N@@H+]1CC[C@@](O)(Cn2ccnn2)C1)C1(C#N)CCCCC1 ZINC000585803751 439654678 /nfs/dbraw/zinc/65/46/78/439654678.db2.gz ZFQWUXDELFCOCK-KRWDZBQOSA-N 1 1 346.435 0.400 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@@](O)(Cn2ccnn2)C1)C1(C#N)CCCCC1 ZINC000585803751 439654683 /nfs/dbraw/zinc/65/46/83/439654683.db2.gz ZFQWUXDELFCOCK-KRWDZBQOSA-N 1 1 346.435 0.400 20 30 ECEDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000595112100 439654895 /nfs/dbraw/zinc/65/48/95/439654895.db2.gz SHGBBWHQIMTCLW-SNVBAGLBSA-N 1 1 329.403 0.145 20 30 ECEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1 ZINC000595173158 439668355 /nfs/dbraw/zinc/66/83/55/439668355.db2.gz WSNGMNNDHPECNG-MAUKXSAKSA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522722 439703606 /nfs/dbraw/zinc/70/36/06/439703606.db2.gz YHHIVFBQCZFQPS-OAHLLOKOSA-N 1 1 349.479 0.423 20 30 ECEDMO N#CCC1(CS(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000595385296 439718348 /nfs/dbraw/zinc/71/83/48/439718348.db2.gz YXHJWHWVPICJIW-AWEZNQCLSA-N 1 1 327.450 0.541 20 30 ECEDMO C[C@@]1(C#N)CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000612136920 439678117 /nfs/dbraw/zinc/67/81/17/439678117.db2.gz UYHZYQALBGGKLB-WMZOPIPTSA-N 1 1 349.479 0.728 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000611225799 439682934 /nfs/dbraw/zinc/68/29/34/439682934.db2.gz OYTWIFDWGLFCRK-HOTGVXAUSA-N 1 1 329.400 0.799 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000611225799 439682937 /nfs/dbraw/zinc/68/29/37/439682937.db2.gz OYTWIFDWGLFCRK-HOTGVXAUSA-N 1 1 329.400 0.799 20 30 ECEDMO N#Cc1ccnc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000611242198 439685286 /nfs/dbraw/zinc/68/52/86/439685286.db2.gz BLXGKIMWJBEKRF-CYBMUJFWSA-N 1 1 344.375 0.780 20 30 ECEDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000574159509 439687270 /nfs/dbraw/zinc/68/72/70/439687270.db2.gz XZAXQOMVGDLOGV-AWEZNQCLSA-N 1 1 329.360 0.347 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@@H+](C[C@H]2CNc3c(C#N)cnn3C2)C1 ZINC000574205746 439690340 /nfs/dbraw/zinc/69/03/40/439690340.db2.gz KDBAGMMLWFJNNS-WBMJQRKESA-N 1 1 333.392 0.308 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000611349073 439693051 /nfs/dbraw/zinc/69/30/51/439693051.db2.gz VFKVQLWLMMKIIH-ZWKOTPCHSA-N 1 1 345.443 0.899 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[NH+]2CCN([C@H]3CCOC3)CC2)cc1 ZINC000611349073 439693054 /nfs/dbraw/zinc/69/30/54/439693054.db2.gz VFKVQLWLMMKIIH-ZWKOTPCHSA-N 1 1 345.443 0.899 20 30 ECEDMO CN1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000600729284 439695939 /nfs/dbraw/zinc/69/59/39/439695939.db2.gz XGEMIWXYVZIXPC-QGZVFWFLSA-N 1 1 346.475 0.914 20 30 ECEDMO N#CCCN1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612110117 439747741 /nfs/dbraw/zinc/74/77/41/439747741.db2.gz FQCZQDVWVLWAAQ-CQSZACIVSA-N 1 1 334.376 0.866 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000613036399 439749187 /nfs/dbraw/zinc/74/91/87/439749187.db2.gz RJIYPQQRLFLGKH-INIZCTEOSA-N 1 1 325.453 0.763 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000613311134 439754717 /nfs/dbraw/zinc/75/47/17/439754717.db2.gz XYCRMIZVUIHVTC-XHDPSFHLSA-N 1 1 346.387 0.341 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000613311134 439754718 /nfs/dbraw/zinc/75/47/18/439754718.db2.gz XYCRMIZVUIHVTC-XHDPSFHLSA-N 1 1 346.387 0.341 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641666114 439881688 /nfs/dbraw/zinc/88/16/88/439881688.db2.gz AOONEILOSGLDOG-IAGOWNOFSA-N 1 1 339.480 0.880 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000653435040 440174629 /nfs/dbraw/zinc/17/46/29/440174629.db2.gz QINGKUJBGKQSCZ-GJZGRUSLSA-N 1 1 325.453 0.788 20 30 ECEDMO C=CCCn1cc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)nn1 ZINC000653492371 440194188 /nfs/dbraw/zinc/19/41/88/440194188.db2.gz JGDKJFNTIUHXKR-UHFFFAOYSA-N 1 1 346.479 0.984 20 30 ECEDMO C=CCCn1cc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nn1 ZINC000653492371 440194193 /nfs/dbraw/zinc/19/41/93/440194193.db2.gz JGDKJFNTIUHXKR-UHFFFAOYSA-N 1 1 346.479 0.984 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000653520953 440197071 /nfs/dbraw/zinc/19/70/71/440197071.db2.gz JMUPDJAGYYJFDS-IGQOVBAYSA-N 1 1 325.409 0.607 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000653520953 440197077 /nfs/dbraw/zinc/19/70/77/440197077.db2.gz JMUPDJAGYYJFDS-IGQOVBAYSA-N 1 1 325.409 0.607 20 30 ECEDMO C=C(C)[C@H](CO)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000650279094 440616354 /nfs/dbraw/zinc/61/63/54/440616354.db2.gz JEUJWTNGTKZYTN-ZDUSSCGKSA-N 1 1 332.397 0.721 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000666926122 440711184 /nfs/dbraw/zinc/71/11/84/440711184.db2.gz JLIJPMXYIQUFMD-HNNXBMFYSA-N 1 1 337.468 0.100 20 30 ECEDMO C=CC[C@H]1N(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCC1(C)C ZINC000656082989 440715316 /nfs/dbraw/zinc/71/53/16/440715316.db2.gz BIVAOYCCEBUZBI-ARFHVFGLSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1 ZINC000651106591 440748050 /nfs/dbraw/zinc/74/80/50/440748050.db2.gz DCKVODDYQUMYIP-ZBFHGGJFSA-N 1 1 349.456 0.927 20 30 ECEDMO C=CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H](C)COC ZINC000661241894 440820348 /nfs/dbraw/zinc/82/03/48/440820348.db2.gz DIXZFNQREXQWRP-CYBMUJFWSA-N 1 1 349.435 0.347 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000656899824 440868097 /nfs/dbraw/zinc/86/80/97/440868097.db2.gz PEBPRTQPIDIBDY-ZFWWWQNUSA-N 1 1 332.466 0.608 20 30 ECEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000662086537 440963225 /nfs/dbraw/zinc/96/32/25/440963225.db2.gz UVLMZKWRJXVMRB-UTUOFQBUSA-N 1 1 332.404 0.420 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000662168484 440978401 /nfs/dbraw/zinc/97/84/01/440978401.db2.gz IJQIGMATBTZKTF-MRVPVSSYSA-N 1 1 333.797 0.062 20 30 ECEDMO CCS(=O)(=O)C[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000567692154 322593188 /nfs/dbraw/zinc/59/31/88/322593188.db2.gz PQQCSYARKWGMEP-GFCCVEGCSA-N 1 1 344.458 0.745 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cccc(C#N)n2)CC1 ZINC000578529765 322867031 /nfs/dbraw/zinc/86/70/31/322867031.db2.gz GBRXBLCEWRJWCZ-UHFFFAOYSA-N 1 1 330.392 0.627 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn32)C1 ZINC001077994775 782099904 /nfs/dbraw/zinc/09/99/04/782099904.db2.gz ZIMPTLDAOHDYBG-TZMCWYRMSA-N 1 1 330.392 0.174 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001041756033 782136458 /nfs/dbraw/zinc/13/64/58/782136458.db2.gz WAMQSJRQCSVFHO-QGZVFWFLSA-N 1 1 330.388 0.296 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001078022225 782156226 /nfs/dbraw/zinc/15/62/26/782156226.db2.gz ZWETVVXYSTYFFY-HZPDHXFCSA-N 1 1 331.416 0.739 20 30 ECEDMO C[C@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1CCO ZINC000187678433 533975817 /nfs/dbraw/zinc/97/58/17/533975817.db2.gz RWYNXBPXBKUJTG-GXTWGEPZSA-N 1 1 334.445 0.723 20 30 ECEDMO C[C@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[N@H+]1CCO ZINC000187678433 533975823 /nfs/dbraw/zinc/97/58/23/533975823.db2.gz RWYNXBPXBKUJTG-GXTWGEPZSA-N 1 1 334.445 0.723 20 30 ECEDMO Cn1ncc2c1ncn(CC(=O)NCC[N@@H+](C)C1CCCC1)c2=O ZINC000329098047 546014664 /nfs/dbraw/zinc/01/46/64/546014664.db2.gz LTNFBRKPPKNIAZ-UHFFFAOYSA-N 1 1 332.408 0.961 20 30 ECEDMO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000329132317 546015511 /nfs/dbraw/zinc/01/55/11/546015511.db2.gz YIJQVODTWOSQOC-UONOGXRCSA-N 1 1 344.481 0.495 20 30 ECEDMO C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000611582067 546039635 /nfs/dbraw/zinc/03/96/35/546039635.db2.gz BOZIQVVHYTTWJG-BXUZGUMPSA-N 1 1 349.439 0.157 20 30 ECEDMO C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000611582067 546039645 /nfs/dbraw/zinc/03/96/45/546039645.db2.gz BOZIQVVHYTTWJG-BXUZGUMPSA-N 1 1 349.439 0.157 20 30 ECEDMO N#C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000332779722 546047876 /nfs/dbraw/zinc/04/78/76/546047876.db2.gz RAWSVJNBKSEAIN-CABCVRRESA-N 1 1 334.420 0.118 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1CNc2ccnn2C1 ZINC000619264241 546312333 /nfs/dbraw/zinc/31/23/33/546312333.db2.gz CTPCNDANYKYZDT-KBPBESRZSA-N 1 1 338.419 0.797 20 30 ECEDMO C=C[C@H](C(=O)OC)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000619717902 546363145 /nfs/dbraw/zinc/36/31/45/546363145.db2.gz XERKKSYSQRHZAI-MRXNPFEDSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@](C)(O)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000668451190 547660105 /nfs/dbraw/zinc/66/01/05/547660105.db2.gz NERGKJOSNLZNGO-LPHOPBHVSA-N 1 1 345.443 0.937 20 30 ECEDMO C=C[C@](C)(O)C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000668487493 547665646 /nfs/dbraw/zinc/66/56/46/547665646.db2.gz ZDAMZVJUHBFCRK-SFHVURJKSA-N 1 1 337.464 0.716 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000668685404 547725109 /nfs/dbraw/zinc/72/51/09/547725109.db2.gz LKWWHCQTJPIRFX-NVXWUHKLSA-N 1 1 338.496 0.847 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000668689469 547726463 /nfs/dbraw/zinc/72/64/63/547726463.db2.gz RZIDRDYCYHOYEB-KRWDZBQOSA-N 1 1 338.496 0.942 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000668689469 547726469 /nfs/dbraw/zinc/72/64/69/547726469.db2.gz RZIDRDYCYHOYEB-KRWDZBQOSA-N 1 1 338.496 0.942 20 30 ECEDMO NC(=O)CN(CC#CC[N@@H+](CC(N)=O)C1CCCC1)C1CCCC1 ZINC000671240677 548112291 /nfs/dbraw/zinc/11/22/91/548112291.db2.gz JTVPMJJHEXMRKO-UHFFFAOYSA-N 1 1 334.464 0.450 20 30 ECEDMO O=C(CCCC[NH+]1CCOCC1)NCc1ccc(C(=O)NO)cc1 ZINC000671996730 548251168 /nfs/dbraw/zinc/25/11/68/548251168.db2.gz TULOTWYBTWWMAM-UHFFFAOYSA-N 1 1 335.404 0.924 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)c(OC)c1 ZINC000674464389 548630424 /nfs/dbraw/zinc/63/04/24/548630424.db2.gz BJQPBHMZAVAOAH-OWCLPIDISA-N 1 1 337.416 0.591 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1O ZINC001078028074 782171515 /nfs/dbraw/zinc/17/15/15/782171515.db2.gz XOEQUAIPFHDQFE-HZPDHXFCSA-N 1 1 331.416 0.915 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1C ZINC000751807541 579375878 /nfs/dbraw/zinc/37/58/78/579375878.db2.gz TXTGWRKZUNRCBE-CYBMUJFWSA-N 1 1 331.424 0.368 20 30 ECEDMO COC(=O)c1cccc(C[NH+]2CCC(C(=O)NCCO)CC2)c1C#N ZINC000756485269 579450613 /nfs/dbraw/zinc/45/06/13/579450613.db2.gz BMHNWJVPUCRLLX-UHFFFAOYSA-N 1 1 345.399 0.665 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@@H]2C2CCC2)c1=O ZINC000728198710 578288298 /nfs/dbraw/zinc/28/82/98/578288298.db2.gz DEQCIONAGLAUDE-OAHLLOKOSA-N 1 1 346.431 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NS(=O)(=O)CC)CC1 ZINC000730276345 578304379 /nfs/dbraw/zinc/30/43/79/578304379.db2.gz KZRYSTSBTSGWEE-AWEZNQCLSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NS(=O)(=O)CC)CC1 ZINC000730276345 578304380 /nfs/dbraw/zinc/30/43/80/578304380.db2.gz KZRYSTSBTSGWEE-AWEZNQCLSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000730285314 578304656 /nfs/dbraw/zinc/30/46/56/578304656.db2.gz LRMSYLYIKFNEMI-WBMJQRKESA-N 1 1 338.354 0.918 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000730285314 578304657 /nfs/dbraw/zinc/30/46/57/578304657.db2.gz LRMSYLYIKFNEMI-WBMJQRKESA-N 1 1 338.354 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)OC ZINC000733151425 578332888 /nfs/dbraw/zinc/33/28/88/578332888.db2.gz XDQWCFBVJURSDC-RDJZCZTQSA-N 1 1 344.411 0.938 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)OC ZINC000733151425 578332889 /nfs/dbraw/zinc/33/28/89/578332889.db2.gz XDQWCFBVJURSDC-RDJZCZTQSA-N 1 1 344.411 0.938 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCO1 ZINC000794833924 578600371 /nfs/dbraw/zinc/60/03/71/578600371.db2.gz SMODWDBRTWGAEB-DZGCQCFKSA-N 1 1 330.388 0.654 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCO1 ZINC000794833924 578600373 /nfs/dbraw/zinc/60/03/73/578600373.db2.gz SMODWDBRTWGAEB-DZGCQCFKSA-N 1 1 330.388 0.654 20 30 ECEDMO C[C@@]1(C(N)=O)CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000796581937 578626295 /nfs/dbraw/zinc/62/62/95/578626295.db2.gz UMRASRUJMQLUAE-QGZVFWFLSA-N 1 1 325.372 0.617 20 30 ECEDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000796581937 578626296 /nfs/dbraw/zinc/62/62/96/578626296.db2.gz UMRASRUJMQLUAE-QGZVFWFLSA-N 1 1 325.372 0.617 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CC[NH+](CC(=O)NCCC)CC2)c1 ZINC000798161179 578640139 /nfs/dbraw/zinc/64/01/39/578640139.db2.gz LKKVMYVQJFBLRS-UHFFFAOYSA-N 1 1 328.416 0.783 20 30 ECEDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000780867139 578701704 /nfs/dbraw/zinc/70/17/04/578701704.db2.gz ZYKHXZPBWPCMIP-NSHDSACASA-N 1 1 327.381 0.696 20 30 ECEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000780867139 578701707 /nfs/dbraw/zinc/70/17/07/578701707.db2.gz ZYKHXZPBWPCMIP-NSHDSACASA-N 1 1 327.381 0.696 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000781012553 578704469 /nfs/dbraw/zinc/70/44/69/578704469.db2.gz GFDLPCXNVWCCHM-SUMWQHHRSA-N 1 1 345.399 0.687 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000781012553 578704470 /nfs/dbraw/zinc/70/44/70/578704470.db2.gz GFDLPCXNVWCCHM-SUMWQHHRSA-N 1 1 345.399 0.687 20 30 ECEDMO C#CCOCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000784548560 578754081 /nfs/dbraw/zinc/75/40/81/578754081.db2.gz DJKZUXQKARAEAS-SJPCQFCGSA-N 1 1 334.464 0.589 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)CC[N@H+]1C ZINC000787759225 578815805 /nfs/dbraw/zinc/81/58/05/578815805.db2.gz MIZLIOSFWZUCCD-TZMCWYRMSA-N 1 1 344.419 0.080 20 30 ECEDMO COC(=O)CC[NH+]1CCC(=NNS(=O)(=O)c2ccccc2)CC1 ZINC000788697582 578842883 /nfs/dbraw/zinc/84/28/83/578842883.db2.gz DFYXYWDUYQEPFS-UHFFFAOYSA-N 1 1 339.417 0.980 20 30 ECEDMO Cc1cc(C=NN2CC(=O)N(C)C2=O)c(C)n1CC[NH+]1CCOCC1 ZINC000768379242 579124942 /nfs/dbraw/zinc/12/49/42/579124942.db2.gz FKTYFCWYIVNYAU-UHFFFAOYSA-N 1 1 347.419 0.665 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nccn3C)C2)CC1 ZINC000770003054 579157472 /nfs/dbraw/zinc/15/74/72/579157472.db2.gz JYWQEXDAUCXTFC-MRXNPFEDSA-N 1 1 329.448 0.377 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000773439803 579227087 /nfs/dbraw/zinc/22/70/87/579227087.db2.gz DUTJVIVKCCBHNP-XJKSGUPXSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000773439803 579227088 /nfs/dbraw/zinc/22/70/88/579227088.db2.gz DUTJVIVKCCBHNP-XJKSGUPXSA-N 1 1 345.399 0.472 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)[C@H]1CCCO1 ZINC000775801523 579271669 /nfs/dbraw/zinc/27/16/69/579271669.db2.gz URNNOTRIHGLTHO-SJLPKXTDSA-N 1 1 327.428 0.936 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000764999655 579581708 /nfs/dbraw/zinc/58/17/08/579581708.db2.gz LAVJUEFYVRBIMP-SFHVURJKSA-N 1 1 326.444 0.723 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](CC)[C@@H](C)C(C)C)c1=O ZINC000742556539 579788506 /nfs/dbraw/zinc/78/85/06/579788506.db2.gz JQAJPTFDYRXZJT-AWEZNQCLSA-N 1 1 336.436 0.868 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000743764278 579801909 /nfs/dbraw/zinc/80/19/09/579801909.db2.gz CCUUTDBZCRBNGP-AZUAARDMSA-N 1 1 341.455 0.837 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000834458201 588901228 /nfs/dbraw/zinc/90/12/28/588901228.db2.gz XEHSNEJDUMAWJS-AWEZNQCLSA-N 1 1 341.371 0.405 20 30 ECEDMO C#CCO[C@@H](C)C(=O)OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000837847718 588962967 /nfs/dbraw/zinc/96/29/67/588962967.db2.gz KGLNRNTZPKLLKO-GJZGRUSLSA-N 1 1 340.420 0.041 20 30 ECEDMO C#CC[C@H]1NC(=O)N(Cc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000842235179 589023652 /nfs/dbraw/zinc/02/36/52/589023652.db2.gz FGXBEUIKPUPODT-MRXNPFEDSA-N 1 1 327.384 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000804693194 586061097 /nfs/dbraw/zinc/06/10/97/586061097.db2.gz RDDKWLIKQFCHQD-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000804693194 586061099 /nfs/dbraw/zinc/06/10/99/586061099.db2.gz RDDKWLIKQFCHQD-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+][C@H]2CCCN(O)C2=O)C1 ZINC000895194484 586169149 /nfs/dbraw/zinc/16/91/49/586169149.db2.gz DVFSWRRVMOKMQL-NEPJUHHUSA-N 1 1 329.397 0.592 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)nn1 ZINC000895445714 586183293 /nfs/dbraw/zinc/18/32/93/586183293.db2.gz KUSWYWDDPSPAIF-LSDHHAIUSA-N 1 1 334.424 0.205 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3coc(C#N)c3)CC2)CC1 ZINC000896227285 586229156 /nfs/dbraw/zinc/22/91/56/586229156.db2.gz SZEPOKYLNMPKTN-UHFFFAOYSA-N 1 1 331.376 0.276 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896540955 586250925 /nfs/dbraw/zinc/25/09/25/586250925.db2.gz ZDPCOEFBLGBGDL-GUYCJALGSA-N 1 1 329.448 0.988 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2cc(CC)nc(CC)n2)CC1 ZINC000892515015 586270884 /nfs/dbraw/zinc/27/08/84/586270884.db2.gz AKFKPLTVNLEMDE-UHFFFAOYSA-N 1 1 329.448 0.863 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(CC)nc(CC)n2)CC1 ZINC000892515015 586270886 /nfs/dbraw/zinc/27/08/86/586270886.db2.gz AKFKPLTVNLEMDE-UHFFFAOYSA-N 1 1 329.448 0.863 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000897482299 586331394 /nfs/dbraw/zinc/33/13/94/586331394.db2.gz PLTVXXXGQDESDD-HNNXBMFYSA-N 1 1 337.468 0.100 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000843249488 589056237 /nfs/dbraw/zinc/05/62/37/589056237.db2.gz AUFMCMIPKOOOKB-INIZCTEOSA-N 1 1 349.475 0.554 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000843242837 589055138 /nfs/dbraw/zinc/05/51/38/589055138.db2.gz PJXQUYIRPXAORB-GASCZTMLSA-N 1 1 325.453 0.979 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000843242837 589055140 /nfs/dbraw/zinc/05/51/40/589055140.db2.gz PJXQUYIRPXAORB-GASCZTMLSA-N 1 1 325.453 0.979 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C[C@H]([C@H]3CCCO3)CC2=O)CC1 ZINC000902092524 586720013 /nfs/dbraw/zinc/72/00/13/586720013.db2.gz DYUHQSLQWPVAIJ-HZPDHXFCSA-N 1 1 333.432 0.433 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cccc(C#CCO)c1 ZINC000907588746 586741248 /nfs/dbraw/zinc/74/12/48/586741248.db2.gz QSLDGWFNFVDSNA-HNNXBMFYSA-N 1 1 330.428 0.948 20 30 ECEDMO C#CCSCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000838486531 586810904 /nfs/dbraw/zinc/81/09/04/586810904.db2.gz OVNBJXHSLGCVGO-UHFFFAOYSA-N 1 1 341.477 0.533 20 30 ECEDMO N#Cc1ccc(N2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cn1 ZINC000903781892 586814780 /nfs/dbraw/zinc/81/47/80/586814780.db2.gz WVSAVSGLSDBKQD-ROUUACIJSA-N 1 1 327.432 0.844 20 30 ECEDMO N#Cc1ccc(CN2CC[NH+](C[C@H](O)C[C@@]3(O)CCOC3)CC2)cc1 ZINC000905899804 586920919 /nfs/dbraw/zinc/92/09/19/586920919.db2.gz ZCAORKGXFJTTER-MOPGFXCFSA-N 1 1 345.443 0.578 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000803178103 587055299 /nfs/dbraw/zinc/05/52/99/587055299.db2.gz PBVNOMLRRGKHKD-CQSZACIVSA-N 1 1 342.399 0.536 20 30 ECEDMO N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000803180644 587055710 /nfs/dbraw/zinc/05/57/10/587055710.db2.gz MZSQEUHDWLGYAS-CYBMUJFWSA-N 1 1 330.363 0.666 20 30 ECEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000804218990 587081589 /nfs/dbraw/zinc/08/15/89/587081589.db2.gz OAYVAHAMPBIROY-ZDUSSCGKSA-N 1 1 346.435 0.328 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+](C)C1 ZINC000840310113 587268409 /nfs/dbraw/zinc/26/84/09/587268409.db2.gz IOONZYSJXMEXCZ-AWEZNQCLSA-N 1 1 348.378 0.944 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000815705317 587296932 /nfs/dbraw/zinc/29/69/32/587296932.db2.gz GMYIXPJECKCDTK-CZUORRHYSA-N 1 1 327.384 0.800 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000818584383 587439254 /nfs/dbraw/zinc/43/92/54/587439254.db2.gz LRHNPEIWKAQDAD-UHFFFAOYSA-N 1 1 330.392 0.073 20 30 ECEDMO O=S(=O)(CCc1ccccc1)NN=C1CC[NH+](CCO)CC1 ZINC000819808174 587491779 /nfs/dbraw/zinc/49/17/79/587491779.db2.gz LQEBCSZSGHFHSP-UHFFFAOYSA-N 1 1 325.434 0.593 20 30 ECEDMO CN1CCN(Cc2cccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)c2)CC1 ZINC000844194936 589102441 /nfs/dbraw/zinc/10/24/41/589102441.db2.gz OFSNRURGRGPHAL-IAGOWNOFSA-N 1 1 327.432 0.275 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000819973002 587499973 /nfs/dbraw/zinc/49/99/73/587499973.db2.gz PIFFUEREFVKACJ-UHFFFAOYSA-N 1 1 346.387 0.012 20 30 ECEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CCN(O)C3=O)CC2)cs1 ZINC000820157301 587514156 /nfs/dbraw/zinc/51/41/56/587514156.db2.gz VEHUGJAPOTYXFT-ZDUSSCGKSA-N 1 1 338.433 0.770 20 30 ECEDMO CON=C(C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)c1csc(N)n1 ZINC000827491034 588124081 /nfs/dbraw/zinc/12/40/81/588124081.db2.gz KEAKGIQUENSTOU-LLVKDONJSA-N 1 1 325.438 0.874 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000827707457 588136530 /nfs/dbraw/zinc/13/65/30/588136530.db2.gz PXHVFNZGTKQDQJ-PMPSAXMXSA-N 1 1 335.448 0.781 20 30 ECEDMO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1CCOC ZINC000828999939 588214392 /nfs/dbraw/zinc/21/43/92/588214392.db2.gz JNKBORYFWJXOND-ZNMIVQPWSA-N 1 1 333.436 0.918 20 30 ECEDMO N#Cc1c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1S(N)(=O)=O ZINC000829010066 588214736 /nfs/dbraw/zinc/21/47/36/588214736.db2.gz BJOFKTCFKBKDHH-TXEJJXNPSA-N 1 1 336.417 0.481 20 30 ECEDMO CN1CCN(C(=O)CC[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000844371927 589109355 /nfs/dbraw/zinc/10/93/55/589109355.db2.gz SMUHZXMPMZDTIL-QGZVFWFLSA-N 1 1 330.432 0.688 20 30 ECEDMO C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000844371594 589109548 /nfs/dbraw/zinc/10/95/48/589109548.db2.gz ZUDOIDAGXQTLKZ-HOTGVXAUSA-N 1 1 345.359 0.689 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000846841970 589226371 /nfs/dbraw/zinc/22/63/71/589226371.db2.gz QRQMXTBNDPTEKE-ZWKOTPCHSA-N 1 1 333.432 0.871 20 30 ECEDMO O=C(N[C@@H]1CCCN(O)C1=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000848137017 589280102 /nfs/dbraw/zinc/28/01/02/589280102.db2.gz WOPZQEZIKQDUFM-RHSMWYFYSA-N 1 1 333.388 0.120 20 30 ECEDMO S=C(NCCN1CCOCC1)NN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848400555 589292932 /nfs/dbraw/zinc/29/29/32/589292932.db2.gz LUANYBDUWBZREJ-OAHLLOKOSA-N 1 1 339.509 0.787 20 30 ECEDMO S=C(NCCN1CCOCC1)NN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848400555 589292933 /nfs/dbraw/zinc/29/29/33/589292933.db2.gz LUANYBDUWBZREJ-OAHLLOKOSA-N 1 1 339.509 0.787 20 30 ECEDMO C[NH+]=C(NCCN1CCOCC1)NCc1nc(-c2ccccc2)n[nH]1 ZINC000849074296 589319295 /nfs/dbraw/zinc/31/92/95/589319295.db2.gz QFJOAOAFDYNMDI-UHFFFAOYSA-N 1 1 343.435 0.469 20 30 ECEDMO C[NH+]=C(NCCN1CCOCC1)NCc1n[nH]c(-c2ccccc2)n1 ZINC000849074296 589319297 /nfs/dbraw/zinc/31/92/97/589319297.db2.gz QFJOAOAFDYNMDI-UHFFFAOYSA-N 1 1 343.435 0.469 20 30 ECEDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCSC[C@@H]2C#N)cn1 ZINC000849572315 589341187 /nfs/dbraw/zinc/34/11/87/589341187.db2.gz AAXQXMPEWJFMTG-KKUMJFAQSA-N 1 1 333.461 0.923 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000849959318 589354166 /nfs/dbraw/zinc/35/41/66/589354166.db2.gz AFMGGTUCTURNFL-HIFRSBDPSA-N 1 1 339.436 0.553 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CC1(n2cnnn2)CCOCC1 ZINC000850826620 589385756 /nfs/dbraw/zinc/38/57/56/589385756.db2.gz OFXKCVBYPPKEJJ-AWEZNQCLSA-N 1 1 333.392 0.210 20 30 ECEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](CCO)CCCO ZINC000109798924 589396313 /nfs/dbraw/zinc/39/63/13/589396313.db2.gz VILCGJGWGZZYOC-CQSZACIVSA-N 1 1 340.383 0.900 20 30 ECEDMO C#CCOCCN1CC[N@@H+](CCOCC#C)C[C@H]1c1cnn(C)c1 ZINC000851923146 589432751 /nfs/dbraw/zinc/43/27/51/589432751.db2.gz PGDADFKMPIFAPD-SFHVURJKSA-N 1 1 330.432 0.378 20 30 ECEDMO C#CCOCCN1CC[N@H+](CCOCC#C)C[C@H]1c1cnn(C)c1 ZINC000851923146 589432752 /nfs/dbraw/zinc/43/27/52/589432752.db2.gz PGDADFKMPIFAPD-SFHVURJKSA-N 1 1 330.432 0.378 20 30 ECEDMO C=CCn1c(Cc2noc([C@H](CC)[NH2+]C)n2)nnc1N1CCOCC1 ZINC000854145393 589572987 /nfs/dbraw/zinc/57/29/87/589572987.db2.gz HWGWZBHDFOKPAH-LBPRGKRZSA-N 1 1 347.423 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 ZINC000854411293 589585109 /nfs/dbraw/zinc/58/51/09/589585109.db2.gz OLAGARKEKMOUEW-GJZGRUSLSA-N 1 1 331.420 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 ZINC000854411293 589585111 /nfs/dbraw/zinc/58/51/11/589585111.db2.gz OLAGARKEKMOUEW-GJZGRUSLSA-N 1 1 331.420 0.495 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000855166271 589622115 /nfs/dbraw/zinc/62/21/15/589622115.db2.gz HKZDVAWTHAMQDI-SUQMRRJOSA-N 1 1 334.420 0.892 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@](O)(Cc3nc(CC)no3)C2)C1=O ZINC000856676799 589669994 /nfs/dbraw/zinc/66/99/94/589669994.db2.gz LCYYMJHKURJMJZ-DYVFJYSZSA-N 1 1 334.420 0.788 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@](O)(Cc3nc(CC)no3)C2)C1=O ZINC000856676799 589669995 /nfs/dbraw/zinc/66/99/95/589669995.db2.gz LCYYMJHKURJMJZ-DYVFJYSZSA-N 1 1 334.420 0.788 20 30 ECEDMO CCN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000867946528 589864394 /nfs/dbraw/zinc/86/43/94/589864394.db2.gz HPSQLVWIJWZMMH-ZBFHGGJFSA-N 1 1 347.440 0.781 20 30 ECEDMO C#C[C@@H](NC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000868514417 589911364 /nfs/dbraw/zinc/91/13/64/589911364.db2.gz WUZJLFJTENDMKP-IAGOWNOFSA-N 1 1 334.464 0.589 20 30 ECEDMO C=C(Cl)C[C@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C(=O)OCC ZINC000870031424 589990538 /nfs/dbraw/zinc/99/05/38/589990538.db2.gz QJMGMNUVQNAXJV-OLZOCXBDSA-N 1 1 331.844 0.813 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2c(CC(N)=O)cccc2C1 ZINC000870446181 590017698 /nfs/dbraw/zinc/01/76/98/590017698.db2.gz CJUPGHAABGXMRO-KRWDZBQOSA-N 1 1 325.412 0.697 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2c(CC(N)=O)cccc2C1 ZINC000870446181 590017701 /nfs/dbraw/zinc/01/77/01/590017701.db2.gz CJUPGHAABGXMRO-KRWDZBQOSA-N 1 1 325.412 0.697 20 30 ECEDMO C=CCn1c(Cc2noc([C@@H](C)[NH2+]CC)n2)nnc1N1CCOCC1 ZINC000863668211 590029829 /nfs/dbraw/zinc/02/98/29/590029829.db2.gz RZPNLJVAMRDGKO-GFCCVEGCSA-N 1 1 347.423 0.945 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000872492668 590121111 /nfs/dbraw/zinc/12/11/11/590121111.db2.gz IIHTUSGDFAIGHY-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000872492668 590121112 /nfs/dbraw/zinc/12/11/12/590121112.db2.gz IIHTUSGDFAIGHY-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO COc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1C#N ZINC000873891625 590208889 /nfs/dbraw/zinc/20/88/89/590208889.db2.gz PNALLWXSDATVGF-FZMZJTMJSA-N 1 1 328.372 0.668 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000873972382 590215011 /nfs/dbraw/zinc/21/50/11/590215011.db2.gz IXUFNESXUKPDFN-HNNXBMFYSA-N 1 1 329.400 0.568 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000875600223 590313010 /nfs/dbraw/zinc/31/30/10/590313010.db2.gz WUUKRJGVJBNMBN-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000875600212 590313148 /nfs/dbraw/zinc/31/31/48/590313148.db2.gz WQJQXHZADGKNHA-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000875600691 590313505 /nfs/dbraw/zinc/31/35/05/590313505.db2.gz SXDNDHZLWMIQQM-OWCLPIDISA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000875601356 590313614 /nfs/dbraw/zinc/31/36/14/590313614.db2.gz ZWUBTTFLYIFFSA-HNNXBMFYSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000875604069 590314212 /nfs/dbraw/zinc/31/42/12/590314212.db2.gz INESSAVPOIREMQ-INMHGKMJSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000875920637 590346319 /nfs/dbraw/zinc/34/63/19/590346319.db2.gz HZCULTQGUPXJOL-ZWKOTPCHSA-N 1 1 345.443 0.743 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880073070 590365470 /nfs/dbraw/zinc/36/54/70/590365470.db2.gz QXPJSAUFRLOGLE-BBWFWOEESA-N 1 1 331.416 0.439 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC(=O)NCC23COC3)cc1 ZINC000880400252 590390195 /nfs/dbraw/zinc/39/01/95/590390195.db2.gz FAEVCHQPFNACCP-UHFFFAOYSA-N 1 1 328.372 0.478 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC(=O)NCC23COC3)cc1 ZINC000880400252 590390198 /nfs/dbraw/zinc/39/01/98/590390198.db2.gz FAEVCHQPFNACCP-UHFFFAOYSA-N 1 1 328.372 0.478 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC=C[C@@H]2CO)CC1 ZINC000880488581 590396888 /nfs/dbraw/zinc/39/68/88/590396888.db2.gz HWPFQYZLXJVEQT-CABCVRRESA-N 1 1 346.456 0.690 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC=C[C@@H]2CO)CC1 ZINC000880488581 590396893 /nfs/dbraw/zinc/39/68/93/590396893.db2.gz HWPFQYZLXJVEQT-CABCVRRESA-N 1 1 346.456 0.690 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880502203 590398645 /nfs/dbraw/zinc/39/86/45/590398645.db2.gz OOQHNXAZMZJENX-LJQANCHMSA-N 1 1 343.427 0.792 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880502203 590398647 /nfs/dbraw/zinc/39/86/47/590398647.db2.gz OOQHNXAZMZJENX-LJQANCHMSA-N 1 1 343.427 0.792 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000878315134 590514836 /nfs/dbraw/zinc/51/48/36/590514836.db2.gz GVTPXCYZBULBBZ-SOUVJXGZSA-N 1 1 327.450 0.029 20 30 ECEDMO C#CCN(CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CSC1 ZINC000878913122 590551027 /nfs/dbraw/zinc/55/10/27/590551027.db2.gz BOYCCVIYNNBGAP-MRXNPFEDSA-N 1 1 339.505 0.510 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879085024 590563667 /nfs/dbraw/zinc/56/36/67/590563667.db2.gz ZUVAPSYDBKXVEP-QWHCGFSZSA-N 1 1 329.441 0.837 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879085024 590563668 /nfs/dbraw/zinc/56/36/68/590563668.db2.gz ZUVAPSYDBKXVEP-QWHCGFSZSA-N 1 1 329.441 0.837 20 30 ECEDMO COc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)N(C)CCC#N)cc1 ZINC000883475426 590620837 /nfs/dbraw/zinc/62/08/37/590620837.db2.gz UQJIIEWEZYXCRZ-HNNXBMFYSA-N 1 1 338.433 0.732 20 30 ECEDMO N#CC1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000883912727 590682791 /nfs/dbraw/zinc/68/27/91/590682791.db2.gz ZUSCCMIDEBURBD-QGZVFWFLSA-N 1 1 349.479 0.728 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C(=O)NCc2ccco2)C1 ZINC000884111983 590743136 /nfs/dbraw/zinc/74/31/36/590743136.db2.gz YMWFCOCWWKOBKP-KBPBESRZSA-N 1 1 332.404 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C(=O)NCc2ccco2)C1 ZINC000884111983 590743141 /nfs/dbraw/zinc/74/31/41/590743141.db2.gz YMWFCOCWWKOBKP-KBPBESRZSA-N 1 1 332.404 0.681 20 30 ECEDMO C[C@@H]1CN(CCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H](C)O1 ZINC000884183693 590765817 /nfs/dbraw/zinc/76/58/17/590765817.db2.gz UDUWZRFGZRKJLK-VFORCBIJSA-N 1 1 334.464 0.741 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000884189828 590768499 /nfs/dbraw/zinc/76/84/99/590768499.db2.gz NVEVXAYRKCVERE-KRWDZBQOSA-N 1 1 345.443 0.998 20 30 ECEDMO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN([C@H]3CCC[C@H]3O)CC1)C2 ZINC000884211514 590777168 /nfs/dbraw/zinc/77/71/68/590777168.db2.gz GSTZPSXEHKAKAM-OWQJAQGESA-N 1 1 332.448 0.183 20 30 ECEDMO C#CCSCC(=O)OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000885891572 590778966 /nfs/dbraw/zinc/77/89/66/590778966.db2.gz JDHJYNKPQPMVTR-AWEZNQCLSA-N 1 1 342.461 0.369 20 30 ECEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000886361312 590834927 /nfs/dbraw/zinc/83/49/27/590834927.db2.gz AXLSFBMXPGFAKE-HOTGVXAUSA-N 1 1 327.432 0.859 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 ZINC000887729899 590994314 /nfs/dbraw/zinc/99/43/14/590994314.db2.gz YPSLTICFFAECCX-QGZVFWFLSA-N 1 1 328.416 0.706 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000889761787 591086209 /nfs/dbraw/zinc/08/62/09/591086209.db2.gz MGDQOHJJVQMFHL-IKGGRYGDSA-N 1 1 329.400 0.649 20 30 ECEDMO C#CCN(CC#CC)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890138607 591135301 /nfs/dbraw/zinc/13/53/01/591135301.db2.gz DYJYTUUTKVMRBG-GOSISDBHSA-N 1 1 346.475 0.451 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)C1 ZINC000890362819 591150897 /nfs/dbraw/zinc/15/08/97/591150897.db2.gz IFOJQPSYYXQKSE-GJZGRUSLSA-N 1 1 347.463 0.877 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)C1 ZINC000890362819 591150899 /nfs/dbraw/zinc/15/08/99/591150899.db2.gz IFOJQPSYYXQKSE-GJZGRUSLSA-N 1 1 347.463 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC000948009641 611382056 /nfs/dbraw/zinc/38/20/56/611382056.db2.gz RGVXGWSGQCPFJR-QFBILLFUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC000948009641 611382058 /nfs/dbraw/zinc/38/20/58/611382058.db2.gz RGVXGWSGQCPFJR-QFBILLFUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000925173799 611458748 /nfs/dbraw/zinc/45/87/48/611458748.db2.gz ZIHNKJCZFGBZQM-CVEARBPZSA-N 1 1 336.505 0.963 20 30 ECEDMO C#CC[C@H]1NC(=O)N(C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1=O ZINC000925278250 611464583 /nfs/dbraw/zinc/46/45/83/611464583.db2.gz QQWNKJSTZZLJQN-ZIAGYGMSSA-N 1 1 346.456 0.980 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000948201358 611465177 /nfs/dbraw/zinc/46/51/77/611465177.db2.gz CYCURRPYZFSRGK-XJKCOSOUSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000948207343 611468295 /nfs/dbraw/zinc/46/82/95/611468295.db2.gz PPXXWWJXYMVPND-DAXOMENPSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nnc4c3CCCC4)CC[C@@H]2C1 ZINC000946784881 611476665 /nfs/dbraw/zinc/47/66/65/611476665.db2.gz YXGOOIWBINMMRI-IYBDPMFKSA-N 1 1 341.459 0.961 20 30 ECEDMO N#Cc1sccc1N1CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000930929856 611483539 /nfs/dbraw/zinc/48/35/39/611483539.db2.gz ZWZLROQLQOUNCD-CJNGLKHVSA-N 1 1 337.445 0.644 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000946806922 611495346 /nfs/dbraw/zinc/49/53/46/611495346.db2.gz HYRQGGUFTGTYIM-CVEARBPZSA-N 1 1 346.431 0.890 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000931143856 611510617 /nfs/dbraw/zinc/51/06/17/611510617.db2.gz LRIRQQOLZPYKPT-UHFFFAOYSA-N 1 1 345.399 0.024 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000947499652 611567645 /nfs/dbraw/zinc/56/76/45/611567645.db2.gz DAUADEAKQNMJRE-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000948424706 611587327 /nfs/dbraw/zinc/58/73/27/611587327.db2.gz JXEGWZWTKAYDOE-CQSZACIVSA-N 1 1 334.420 0.046 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@@H]1C ZINC000947558590 611594844 /nfs/dbraw/zinc/59/48/44/611594844.db2.gz CMIPWRPKZMSITI-KBPBESRZSA-N 1 1 341.415 0.937 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C ZINC000947598175 611613198 /nfs/dbraw/zinc/61/31/98/611613198.db2.gz LMGDZUNMNASZIB-WCQYABFASA-N 1 1 344.423 0.853 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C[C@@H](C)N1CC#N ZINC000927632044 611621225 /nfs/dbraw/zinc/62/12/25/611621225.db2.gz ZNUUULZPJPYMNH-BFYDXBDKSA-N 1 1 349.479 0.867 20 30 ECEDMO C#CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C(C)C ZINC000932390660 611621763 /nfs/dbraw/zinc/62/17/63/611621763.db2.gz OSAPORNUUHGVKO-UHFFFAOYSA-N 1 1 331.482 0.506 20 30 ECEDMO C#CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C(C)C ZINC000932390660 611621765 /nfs/dbraw/zinc/62/17/65/611621765.db2.gz OSAPORNUUHGVKO-UHFFFAOYSA-N 1 1 331.482 0.506 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C ZINC000947369015 608598886 /nfs/dbraw/zinc/59/88/86/608598886.db2.gz FFWYKSBAWZZVJG-KBPBESRZSA-N 1 1 334.420 0.092 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 ZINC000949174175 608615401 /nfs/dbraw/zinc/61/54/01/608615401.db2.gz JHQBIKGLNKRELU-LBPRGKRZSA-N 1 1 342.827 0.114 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)CC2)C1 ZINC000949386091 608664684 /nfs/dbraw/zinc/66/46/84/608664684.db2.gz RABBOWRTKPGIJA-KRWDZBQOSA-N 1 1 329.444 0.411 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC#C)CC2)C1 ZINC000949386091 608664687 /nfs/dbraw/zinc/66/46/87/608664687.db2.gz RABBOWRTKPGIJA-KRWDZBQOSA-N 1 1 329.444 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000936545269 608763807 /nfs/dbraw/zinc/76/38/07/608763807.db2.gz YENYRPMZFQKSLR-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000936545269 608763810 /nfs/dbraw/zinc/76/38/10/608763810.db2.gz YENYRPMZFQKSLR-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C[C@H]2CCOC2)CC1 ZINC000947230014 608809789 /nfs/dbraw/zinc/80/97/89/608809789.db2.gz KMNAXSLZARGRGR-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C[C@H]2CCOC2)CC1 ZINC000947230014 608809792 /nfs/dbraw/zinc/80/97/92/608809792.db2.gz KMNAXSLZARGRGR-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC000947230421 608821239 /nfs/dbraw/zinc/82/12/39/608821239.db2.gz PUIIOTLCKKVIAO-AWEZNQCLSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC000947230421 608821243 /nfs/dbraw/zinc/82/12/43/608821243.db2.gz PUIIOTLCKKVIAO-AWEZNQCLSA-N 1 1 329.404 0.228 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCn1cncn1 ZINC000947205591 608920771 /nfs/dbraw/zinc/92/07/71/608920771.db2.gz SQPKVAYEPWUJQU-TZMCWYRMSA-N 1 1 327.392 0.761 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCN1CCNC1=O ZINC000947205990 608921907 /nfs/dbraw/zinc/92/19/07/608921907.db2.gz ZHTYPYGPRKQLND-OCCSQVGLSA-N 1 1 344.419 0.494 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000947625014 608930742 /nfs/dbraw/zinc/93/07/42/608930742.db2.gz PNKNZZFESFIESX-WDEREUQCSA-N 1 1 345.432 0.926 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000947625014 608930744 /nfs/dbraw/zinc/93/07/44/608930744.db2.gz PNKNZZFESFIESX-WDEREUQCSA-N 1 1 345.432 0.926 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937054279 608936590 /nfs/dbraw/zinc/93/65/90/608936590.db2.gz MGFSPNXAIZIFOJ-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947218048 608969806 /nfs/dbraw/zinc/96/98/06/608969806.db2.gz VSXVWPINLQOJNR-CHWSQXEVSA-N 1 1 329.404 0.701 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)no1 ZINC000937136137 608994998 /nfs/dbraw/zinc/99/49/98/608994998.db2.gz CNXXRMHVOWWLGB-KBPBESRZSA-N 1 1 342.399 0.575 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000937188646 609026652 /nfs/dbraw/zinc/02/66/52/609026652.db2.gz BLSIRZZDTSXXBO-JYJNAYRXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000937188646 609026656 /nfs/dbraw/zinc/02/66/56/609026656.db2.gz BLSIRZZDTSXXBO-JYJNAYRXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC000937212327 609048886 /nfs/dbraw/zinc/04/88/86/609048886.db2.gz UVUFRQWMHWDZLP-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC000937212327 609048890 /nfs/dbraw/zinc/04/88/90/609048890.db2.gz UVUFRQWMHWDZLP-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937796460 609089615 /nfs/dbraw/zinc/08/96/15/609089615.db2.gz WQGVKSKIDLKDEL-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937796460 609089617 /nfs/dbraw/zinc/08/96/17/609089617.db2.gz WQGVKSKIDLKDEL-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC000937810798 609095755 /nfs/dbraw/zinc/09/57/55/609095755.db2.gz RQBCURSSCFBKJK-BBWFWOEESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC000937810798 609095759 /nfs/dbraw/zinc/09/57/59/609095759.db2.gz RQBCURSSCFBKJK-BBWFWOEESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000937831607 609107641 /nfs/dbraw/zinc/10/76/41/609107641.db2.gz KEVUIZUKJKQQTH-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000937831607 609107644 /nfs/dbraw/zinc/10/76/44/609107644.db2.gz KEVUIZUKJKQQTH-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000932965674 611695639 /nfs/dbraw/zinc/69/56/39/611695639.db2.gz QEOGOJOAYVJPHH-NVXWUHKLSA-N 1 1 347.459 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000937975644 609445493 /nfs/dbraw/zinc/44/54/93/609445493.db2.gz NXXRWMJRUFHQGG-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c(C)ccn2C)C1 ZINC000938170044 609481516 /nfs/dbraw/zinc/48/15/16/609481516.db2.gz BVDBURMQPSNKGA-HOTGVXAUSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c(C)ccn2C)C1 ZINC000938170044 609481518 /nfs/dbraw/zinc/48/15/18/609481518.db2.gz BVDBURMQPSNKGA-HOTGVXAUSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](OC)C2CC2)C1 ZINC000938170442 609481889 /nfs/dbraw/zinc/48/18/89/609481889.db2.gz HPLDZPVTRRIPGP-JYJNAYRXSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](OC)C2CC2)C1 ZINC000938170442 609481892 /nfs/dbraw/zinc/48/18/92/609481892.db2.gz HPLDZPVTRRIPGP-JYJNAYRXSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nocc2C)C1 ZINC000938170880 609482378 /nfs/dbraw/zinc/48/23/78/609482378.db2.gz QVADRRXCOQAFQO-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nocc2C)C1 ZINC000938170880 609482379 /nfs/dbraw/zinc/48/23/79/609482379.db2.gz QVADRRXCOQAFQO-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000938171114 609483150 /nfs/dbraw/zinc/48/31/50/609483150.db2.gz XDJVXNOEDLZTIT-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000938171114 609483151 /nfs/dbraw/zinc/48/31/51/609483151.db2.gz XDJVXNOEDLZTIT-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(C#CCO)c2)[C@@H](C)C1 ZINC000901322260 609539227 /nfs/dbraw/zinc/53/92/27/609539227.db2.gz MYRWWSVBFQOUNC-HNNXBMFYSA-N 1 1 344.411 0.740 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(C#CCO)c2)[C@@H](C)C1 ZINC000901322260 609539228 /nfs/dbraw/zinc/53/92/28/609539228.db2.gz MYRWWSVBFQOUNC-HNNXBMFYSA-N 1 1 344.411 0.740 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000908002614 609634962 /nfs/dbraw/zinc/63/49/62/609634962.db2.gz XXQYJQWKFUOZKA-HZPDHXFCSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000908002614 609634963 /nfs/dbraw/zinc/63/49/63/609634963.db2.gz XXQYJQWKFUOZKA-HZPDHXFCSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000907999682 609639933 /nfs/dbraw/zinc/63/99/33/609639933.db2.gz BWCRGFNFKRXXHS-SJORKVTESA-N 1 1 349.456 0.919 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000908348154 609651435 /nfs/dbraw/zinc/65/14/35/609651435.db2.gz UPGYCHPFVSEOOZ-KEYYUXOJSA-N 1 1 330.388 0.388 20 30 ECEDMO Cc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(C#N)c1 ZINC000919974954 609667427 /nfs/dbraw/zinc/66/74/27/609667427.db2.gz RFHSLDDZUVDLTF-UKRRQHHQSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c(C#N)c1 ZINC000919974954 609667428 /nfs/dbraw/zinc/66/74/28/609667428.db2.gz RFHSLDDZUVDLTF-UKRRQHHQSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000919999577 609669953 /nfs/dbraw/zinc/66/99/53/609669953.db2.gz KJNKPKYZQGREIV-DZGCQCFKSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000919999577 609669955 /nfs/dbraw/zinc/66/99/55/609669955.db2.gz KJNKPKYZQGREIV-DZGCQCFKSA-N 1 1 336.461 0.779 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)CC1 ZINC000921436948 609716565 /nfs/dbraw/zinc/71/65/65/609716565.db2.gz IGUNPTODGFZUAJ-UHFFFAOYSA-N 1 1 346.412 0.299 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 ZINC000921440350 609717099 /nfs/dbraw/zinc/71/70/99/609717099.db2.gz YVTLREZWQBAWAU-UHFFFAOYSA-N 1 1 335.429 0.470 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)c2cccc(C#CCO)c2)CC[N@@H+](C)C1 ZINC000910413190 609719953 /nfs/dbraw/zinc/71/99/53/609719953.db2.gz KMPQMDCSMUXXHO-INIZCTEOSA-N 1 1 330.384 0.207 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cn2c3ccccc3n(C)c2=O)CC1 ZINC000058278087 609725953 /nfs/dbraw/zinc/72/59/53/609725953.db2.gz JXDGJZBGVKQELQ-UHFFFAOYSA-N 1 1 326.400 0.508 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@@H]1C ZINC000947986299 609742826 /nfs/dbraw/zinc/74/28/26/609742826.db2.gz TVEZFOHXRMSQJB-RYUDHWBXSA-N 1 1 325.372 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCCn2ccc(C(=O)OC)n2)C1 ZINC000923595665 609801698 /nfs/dbraw/zinc/80/16/98/609801698.db2.gz MGKZRVXRWBRVBJ-CQSZACIVSA-N 1 1 332.404 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2ccc(C(=O)OC)n2)C1 ZINC000923595665 609801700 /nfs/dbraw/zinc/80/17/00/609801700.db2.gz MGKZRVXRWBRVBJ-CQSZACIVSA-N 1 1 332.404 0.664 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000913684130 609810929 /nfs/dbraw/zinc/81/09/29/609810929.db2.gz HOGKIZRDALHROZ-JTTJXQCZSA-N 1 1 332.448 0.939 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(C)c(C#N)c2)CC1 ZINC000914116402 609855256 /nfs/dbraw/zinc/85/52/56/609855256.db2.gz QLKFJENKMWINSK-UHFFFAOYSA-N 1 1 343.431 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000938586587 609881928 /nfs/dbraw/zinc/88/19/28/609881928.db2.gz ANPVXDWZYMALFQ-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000938586587 609881929 /nfs/dbraw/zinc/88/19/29/609881929.db2.gz ANPVXDWZYMALFQ-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000911859267 609916208 /nfs/dbraw/zinc/91/62/08/609916208.db2.gz HAWIPHRKTOSSFI-KRWDZBQOSA-N 1 1 347.415 0.397 20 30 ECEDMO CC[N@@H+](CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CC1 ZINC000916115424 609931640 /nfs/dbraw/zinc/93/16/40/609931640.db2.gz UHTBNFOPNKDFFQ-DOMZBBRYSA-N 1 1 340.449 0.050 20 30 ECEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000916362506 609938239 /nfs/dbraw/zinc/93/82/39/609938239.db2.gz SLZNBTNJSSLQMW-UMVBOHGHSA-N 1 1 342.465 0.296 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cscn2)C1 ZINC000938756174 609982067 /nfs/dbraw/zinc/98/20/67/609982067.db2.gz JIIQEEXHERWHAJ-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cscn2)C1 ZINC000938756174 609982068 /nfs/dbraw/zinc/98/20/68/609982068.db2.gz JIIQEEXHERWHAJ-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCC(c3ccc(C#N)cn3)CC2)CC1 ZINC000912932272 610022353 /nfs/dbraw/zinc/02/23/53/610022353.db2.gz QGLVAMHESHGJDC-UHFFFAOYSA-N 1 1 327.432 0.907 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000938968196 610058582 /nfs/dbraw/zinc/05/85/82/610058582.db2.gz BTLCWWJMUGSINQ-WBVHZDCISA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000939750072 610113798 /nfs/dbraw/zinc/11/37/98/610113798.db2.gz LOCNFUCAYFQODT-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000939868326 610155881 /nfs/dbraw/zinc/15/58/81/610155881.db2.gz YWXRRQXDSUYKLT-CHWSQXEVSA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000939868326 610155883 /nfs/dbraw/zinc/15/58/83/610155883.db2.gz YWXRRQXDSUYKLT-CHWSQXEVSA-N 1 1 343.855 0.813 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000939565229 610239235 /nfs/dbraw/zinc/23/92/35/610239235.db2.gz OLLCUUIGZCWEQG-RDJZCZTQSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccncc2C)C1 ZINC000940313016 610262545 /nfs/dbraw/zinc/26/25/45/610262545.db2.gz UHYXJMISXLRQMJ-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccncc2C)C1 ZINC000940313016 610262546 /nfs/dbraw/zinc/26/25/46/610262546.db2.gz UHYXJMISXLRQMJ-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cccn4nnnc34)CC2)C1 ZINC000941422362 610307605 /nfs/dbraw/zinc/30/76/05/610307605.db2.gz LJTCTDSHHHLGLB-UHFFFAOYSA-N 1 1 341.419 0.142 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC000941431028 610312277 /nfs/dbraw/zinc/31/22/77/610312277.db2.gz IEQGIPCQSAAAMG-UHFFFAOYSA-N 1 1 329.448 0.123 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4nccn43)CC2)C1 ZINC000941436674 610314287 /nfs/dbraw/zinc/31/42/87/610314287.db2.gz ATESEZHCXWPNIF-KRWDZBQOSA-N 1 1 341.459 0.612 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCN(C2CN(CC#N)C2)CC1 ZINC000941437075 610314811 /nfs/dbraw/zinc/31/48/11/610314811.db2.gz QWKZPVMGFCXLCV-INIZCTEOSA-N 1 1 333.480 0.601 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941455728 610318166 /nfs/dbraw/zinc/31/81/66/610318166.db2.gz BXKTWKQZSVBGIA-NVXWUHKLSA-N 1 1 331.464 0.355 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(OCC)n[nH]3)CC2)C1 ZINC000941446944 610322254 /nfs/dbraw/zinc/32/22/54/610322254.db2.gz JOCLQEQISCEJPS-UHFFFAOYSA-N 1 1 333.436 0.827 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccnnc2)C1 ZINC000940650966 610323990 /nfs/dbraw/zinc/32/39/90/610323990.db2.gz LTIAKGUZHNZWTN-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccnnc2)C1 ZINC000940650966 610323992 /nfs/dbraw/zinc/32/39/92/610323992.db2.gz LTIAKGUZHNZWTN-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940665349 610328114 /nfs/dbraw/zinc/32/81/14/610328114.db2.gz UZQGYBFWTZVICR-UONOGXRCSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940665348 610328267 /nfs/dbraw/zinc/32/82/67/610328267.db2.gz UZQGYBFWTZVICR-KGLIPLIRSA-N 1 1 331.420 0.981 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn(C)c3CC)CC2)C1 ZINC000941472135 610330573 /nfs/dbraw/zinc/33/05/73/610330573.db2.gz VKIROKWDTRDQTJ-UHFFFAOYSA-N 1 1 329.448 0.448 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ncnc4[nH]ccc43)CC2)C1 ZINC000941474997 610331390 /nfs/dbraw/zinc/33/13/90/610331390.db2.gz JKBJNHDSBHIPSR-UHFFFAOYSA-N 1 1 340.431 0.928 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cccc4ncnn43)CC2)C1 ZINC000941476243 610332444 /nfs/dbraw/zinc/33/24/44/610332444.db2.gz UHMLXPQNAZQERV-UHFFFAOYSA-N 1 1 338.415 0.195 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000940692650 610332666 /nfs/dbraw/zinc/33/26/66/610332666.db2.gz CMOYCZXSDZTUJY-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc(Cl)n3C)CC2)C1 ZINC000941485578 610337812 /nfs/dbraw/zinc/33/78/12/610337812.db2.gz VVROYKYLDGKIIR-UHFFFAOYSA-N 1 1 335.839 0.539 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc4nnnn4c3)CC2)C1 ZINC000941485563 610337870 /nfs/dbraw/zinc/33/78/70/610337870.db2.gz VBCCDRORMKJZTE-UHFFFAOYSA-N 1 1 341.419 0.142 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)CC2)C1 ZINC000941537729 610367139 /nfs/dbraw/zinc/36/71/39/610367139.db2.gz NFTYKVUGEYFRCM-HNNXBMFYSA-N 1 1 344.463 0.629 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940781939 610369147 /nfs/dbraw/zinc/36/91/47/610369147.db2.gz FAHIEVVTKMMHLX-HUUCEWRRSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C(C)(C)C1 ZINC000940781835 610369264 /nfs/dbraw/zinc/36/92/64/610369264.db2.gz DDLAFGRJSIBQQE-UONOGXRCSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000942282881 610371882 /nfs/dbraw/zinc/37/18/82/610371882.db2.gz QGECETIGRHHVLQ-RVKKMQEKSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000942282881 610371884 /nfs/dbraw/zinc/37/18/84/610371884.db2.gz QGECETIGRHHVLQ-RVKKMQEKSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H](C)C1 ZINC000942285528 610374023 /nfs/dbraw/zinc/37/40/23/610374023.db2.gz DGZPBLFEEKMEFQ-DGCLKSJQSA-N 1 1 328.372 0.486 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941566679 610386572 /nfs/dbraw/zinc/38/65/72/610386572.db2.gz JDKAUOXTEPSIGU-CQSZACIVSA-N 1 1 340.899 0.909 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000941578897 610391295 /nfs/dbraw/zinc/39/12/95/610391295.db2.gz WMNQFBVPDJAKGA-GDBMZVCRSA-N 1 1 334.464 0.306 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC000941587843 610397710 /nfs/dbraw/zinc/39/77/10/610397710.db2.gz WQLIGJITORKVPD-INIZCTEOSA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC000941630639 610417724 /nfs/dbraw/zinc/41/77/24/610417724.db2.gz YXBNKYVHGARFQJ-OAHLLOKOSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC000941632329 610418024 /nfs/dbraw/zinc/41/80/24/610418024.db2.gz BARXTICIBGGYER-INIZCTEOSA-N 1 1 346.475 0.097 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000942369734 610418521 /nfs/dbraw/zinc/41/85/21/610418521.db2.gz WRCDPBCTMQUNDA-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@H](C)C1 ZINC000942393165 610433786 /nfs/dbraw/zinc/43/37/86/610433786.db2.gz NGHPYZSONBDSQJ-CJNGLKHVSA-N 1 1 329.400 0.624 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nc1 ZINC000942428245 610444240 /nfs/dbraw/zinc/44/42/40/610444240.db2.gz BMKKYTWYDHOHFW-GOEBONIOSA-N 1 1 340.427 0.878 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000942436819 610462783 /nfs/dbraw/zinc/46/27/83/610462783.db2.gz IOAJIGFOVQUUNV-CQSZACIVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000942449218 610465599 /nfs/dbraw/zinc/46/55/99/610465599.db2.gz FYQGJKCMNOMSAB-WCVJEAGWSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000942449218 610465602 /nfs/dbraw/zinc/46/56/02/610465602.db2.gz FYQGJKCMNOMSAB-WCVJEAGWSA-N 1 1 333.432 0.226 20 30 ECEDMO O=C(C#CC1CC1)N1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000940999744 610478087 /nfs/dbraw/zinc/47/80/87/610478087.db2.gz RBRAKMVQBUFHRR-IRXDYDNUSA-N 1 1 345.443 0.324 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)CC[C@@H]1NC(=O)C(N)=O ZINC000940992485 610485445 /nfs/dbraw/zinc/48/54/45/610485445.db2.gz DFRDXVOQCZENIV-HNNXBMFYSA-N 1 1 331.391 0.879 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)c1 ZINC000941015733 610495099 /nfs/dbraw/zinc/49/50/99/610495099.db2.gz SKGMYPVBHADERH-CVEARBPZSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C(C)(C)C1 ZINC000941044943 610509431 /nfs/dbraw/zinc/50/94/31/610509431.db2.gz NCWLIOLPYDTRJX-OAHLLOKOSA-N 1 1 328.416 0.952 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942563178 610519633 /nfs/dbraw/zinc/51/96/33/610519633.db2.gz VVZYIVLOBQQTEF-ZWNOBZJWSA-N 1 1 345.432 0.784 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000941085389 610528717 /nfs/dbraw/zinc/52/87/17/610528717.db2.gz OKLPVMDVBVRBLA-KBPBESRZSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941090285 610531402 /nfs/dbraw/zinc/53/14/02/610531402.db2.gz BZABTPFIHBXOCC-UONOGXRCSA-N 1 1 343.493 0.813 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nnc[nH]3)C(C)(C)C2)C1=O ZINC000941110983 610542754 /nfs/dbraw/zinc/54/27/54/610542754.db2.gz NJHXWTOZFXAGKY-OLZOCXBDSA-N 1 1 346.435 0.422 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000941870791 610546149 /nfs/dbraw/zinc/54/61/49/610546149.db2.gz VXDDENNXHKRWNX-QXGUJMOYSA-N 1 1 347.459 0.779 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941942371 610571735 /nfs/dbraw/zinc/57/17/35/610571735.db2.gz IELAGZKBJHTBIS-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000941148561 610573244 /nfs/dbraw/zinc/57/32/44/610573244.db2.gz RLYSINDIJZVQIR-CQSZACIVSA-N 1 1 347.463 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC000941167808 610581797 /nfs/dbraw/zinc/58/17/97/610581797.db2.gz QMJFLYZARQZCRD-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC000941167808 610581798 /nfs/dbraw/zinc/58/17/98/610581798.db2.gz QMJFLYZARQZCRD-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)NC)nc2)C(C)(C)C1 ZINC000941169351 610583218 /nfs/dbraw/zinc/58/32/18/610583218.db2.gz MLBXOXKRVVURJQ-OAHLLOKOSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000941190698 610585393 /nfs/dbraw/zinc/58/53/93/610585393.db2.gz HTXOLHYURIZLLE-AWEZNQCLSA-N 1 1 333.436 0.130 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941963364 610586248 /nfs/dbraw/zinc/58/62/48/610586248.db2.gz KPFATZQYPAXNSH-ABAIWWIYSA-N 1 1 329.404 0.605 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[C@@H]1C ZINC000947899232 610587095 /nfs/dbraw/zinc/58/70/95/610587095.db2.gz HPIAKVKUNZRVNH-RYUDHWBXSA-N 1 1 342.827 0.650 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[C@@H]1C ZINC000947899232 610587097 /nfs/dbraw/zinc/58/70/97/610587097.db2.gz HPIAKVKUNZRVNH-RYUDHWBXSA-N 1 1 342.827 0.650 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000941236591 610606794 /nfs/dbraw/zinc/60/67/94/610606794.db2.gz DGWQCFHMTKCHJJ-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000941236591 610606796 /nfs/dbraw/zinc/60/67/96/610606796.db2.gz DGWQCFHMTKCHJJ-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941227090 610610888 /nfs/dbraw/zinc/61/08/88/610610888.db2.gz ZZZRSAFZXLSLLV-VXGBXAGGSA-N 1 1 349.884 0.647 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941227090 610610889 /nfs/dbraw/zinc/61/08/89/610610889.db2.gz ZZZRSAFZXLSLLV-VXGBXAGGSA-N 1 1 349.884 0.647 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000942027342 610620013 /nfs/dbraw/zinc/62/00/13/610620013.db2.gz YSHZLPHPXKDASF-LSDHHAIUSA-N 1 1 336.436 0.316 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000942027342 610620016 /nfs/dbraw/zinc/62/00/16/610620016.db2.gz YSHZLPHPXKDASF-LSDHHAIUSA-N 1 1 336.436 0.316 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2coc(CC)n2)C1 ZINC000941237986 610621622 /nfs/dbraw/zinc/62/16/22/610621622.db2.gz OHDDZKMKHUJCGZ-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2coc(CC)n2)C1 ZINC000941237986 610621625 /nfs/dbraw/zinc/62/16/25/610621625.db2.gz OHDDZKMKHUJCGZ-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000941238086 610622095 /nfs/dbraw/zinc/62/20/95/610622095.db2.gz SPGOEFFMLQYJHY-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000941238086 610622098 /nfs/dbraw/zinc/62/20/98/610622098.db2.gz SPGOEFFMLQYJHY-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000941238137 610622117 /nfs/dbraw/zinc/62/21/17/610622117.db2.gz VNFQWIWDUJXYPI-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000941238137 610622119 /nfs/dbraw/zinc/62/21/19/610622119.db2.gz VNFQWIWDUJXYPI-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnn(CC)c2)C1 ZINC000941238084 610622189 /nfs/dbraw/zinc/62/21/89/610622189.db2.gz SLNMWEJWPCPIRY-CVEARBPZSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnn(CC)c2)C1 ZINC000941238084 610622191 /nfs/dbraw/zinc/62/21/91/610622191.db2.gz SLNMWEJWPCPIRY-CVEARBPZSA-N 1 1 343.431 0.331 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C ZINC000947899728 610639862 /nfs/dbraw/zinc/63/98/62/610639862.db2.gz MPSFYXGRNSMDAI-HUUCEWRRSA-N 1 1 347.463 0.926 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H](C)C1 ZINC000942130441 610665723 /nfs/dbraw/zinc/66/57/23/610665723.db2.gz NSAZSUNVUHGQLH-DGCLKSJQSA-N 1 1 329.828 0.424 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H](C)C1 ZINC000942130441 610665724 /nfs/dbraw/zinc/66/57/24/610665724.db2.gz NSAZSUNVUHGQLH-DGCLKSJQSA-N 1 1 329.828 0.424 20 30 ECEDMO Cc1cc(C)n(CC[NH+]2CC(N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC000941349206 610685612 /nfs/dbraw/zinc/68/56/12/610685612.db2.gz WSTNAZVVAOVBRT-CQSZACIVSA-N 1 1 344.463 0.488 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+](Cc3ccc(CO)cc3)C2)CC1 ZINC000941349153 610685647 /nfs/dbraw/zinc/68/56/47/610685647.db2.gz VFJKYDQATHMMRY-HNNXBMFYSA-N 1 1 342.443 0.667 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H](C)C1 ZINC000942206786 610696648 /nfs/dbraw/zinc/69/66/48/610696648.db2.gz FGPDYEYLDIJLLX-KGLIPLIRSA-N 1 1 342.403 0.783 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000941391320 610705625 /nfs/dbraw/zinc/70/56/25/610705625.db2.gz ZDRIUGLMEQOMOI-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000941395498 610715836 /nfs/dbraw/zinc/71/58/36/610715836.db2.gz VLUVAXSHIHVZSW-ZACQAIPSSA-N 1 1 346.475 0.285 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408646 610722804 /nfs/dbraw/zinc/72/28/04/610722804.db2.gz OPGMKDBPVTVCPT-HZPDHXFCSA-N 1 1 331.464 0.213 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)CC[N@H+]1C ZINC000944730820 610743607 /nfs/dbraw/zinc/74/36/07/610743607.db2.gz MYCQZHVREUJASU-XIRDDKMYSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@H](C)C1 ZINC000944135339 610751826 /nfs/dbraw/zinc/75/18/26/610751826.db2.gz KYJUQXYJWJOSQZ-TZMCWYRMSA-N 1 1 327.388 0.898 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000943229766 610755937 /nfs/dbraw/zinc/75/59/37/610755937.db2.gz DGINRGXADULXAX-TZMCWYRMSA-N 1 1 334.420 0.100 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC000944169888 610763770 /nfs/dbraw/zinc/76/37/70/610763770.db2.gz INNFIVMWTNJXKK-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@@H](C)C1 ZINC000944191696 610775749 /nfs/dbraw/zinc/77/57/49/610775749.db2.gz DRIAVRZJVMISAQ-DZGCQCFKSA-N 1 1 328.416 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]2C)cn1 ZINC000944213177 610786025 /nfs/dbraw/zinc/78/60/25/610786025.db2.gz BXSNGYOWHJNNNW-DYVFJYSZSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000943337540 610807926 /nfs/dbraw/zinc/80/79/26/610807926.db2.gz SHPSJOWQUPTPRL-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000943337540 610807927 /nfs/dbraw/zinc/80/79/27/610807927.db2.gz SHPSJOWQUPTPRL-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000944910390 610835755 /nfs/dbraw/zinc/83/57/55/610835755.db2.gz XXYMXLALJCWCQO-LSDHHAIUSA-N 1 1 343.493 0.120 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)CC2)C1 ZINC000944937807 610841640 /nfs/dbraw/zinc/84/16/40/610841640.db2.gz CSUPLQRHAAZYIQ-INIZCTEOSA-N 1 1 329.444 0.803 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(=O)NC)n2)[C@@H](C)C1 ZINC000944534951 610953744 /nfs/dbraw/zinc/95/37/44/610953744.db2.gz VGJOKCJQHDFBPE-KBPBESRZSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)C2=CCCC2)C1 ZINC000944547008 610964387 /nfs/dbraw/zinc/96/43/87/610964387.db2.gz IDUGOIWGGBNHBN-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)C2=CCCC2)C1 ZINC000944547008 610964388 /nfs/dbraw/zinc/96/43/88/610964388.db2.gz IDUGOIWGGBNHBN-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC000943848068 611002191 /nfs/dbraw/zinc/00/21/91/611002191.db2.gz XDLOBYIJRIWRGW-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC000943848068 611002192 /nfs/dbraw/zinc/00/21/92/611002192.db2.gz XDLOBYIJRIWRGW-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)CC)CCO1 ZINC000944648966 611057861 /nfs/dbraw/zinc/05/78/61/611057861.db2.gz XTTSRHQROQBSND-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)CC)CCO1 ZINC000944648966 611057864 /nfs/dbraw/zinc/05/78/64/611057864.db2.gz XTTSRHQROQBSND-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1C ZINC000944062957 611109404 /nfs/dbraw/zinc/10/94/04/611109404.db2.gz SOZMKGMWFWINQN-QWHCGFSZSA-N 1 1 332.404 0.572 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1C ZINC000944062957 611109406 /nfs/dbraw/zinc/10/94/06/611109406.db2.gz SOZMKGMWFWINQN-QWHCGFSZSA-N 1 1 332.404 0.572 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)[C@H](C)C1 ZINC000944078050 611114850 /nfs/dbraw/zinc/11/48/50/611114850.db2.gz FMVNLVXMTUXPDD-IUODEOHRSA-N 1 1 326.404 0.884 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000944078052 611115060 /nfs/dbraw/zinc/11/50/60/611115060.db2.gz FMVNLVXMTUXPDD-WFASDCNBSA-N 1 1 326.404 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC000944100009 611131535 /nfs/dbraw/zinc/13/15/35/611131535.db2.gz KXAKITDXEPCNTL-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC000944100009 611131536 /nfs/dbraw/zinc/13/15/36/611131536.db2.gz KXAKITDXEPCNTL-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn([C@H]4CCOC4)nn3)CC[C@@H]2C1 ZINC000946848610 611194311 /nfs/dbraw/zinc/19/43/11/611194311.db2.gz KOIOJKUKHCPODR-XHSDSOJGSA-N 1 1 343.431 0.657 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CN3CCOCC3)CC[C@@H]2C1 ZINC000946894761 611236273 /nfs/dbraw/zinc/23/62/73/611236273.db2.gz GSEWACUBPCRZMS-KURKYZTESA-N 1 1 333.476 0.758 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CN3CCOCC3)CC[C@@H]2C1 ZINC000946894761 611236274 /nfs/dbraw/zinc/23/62/74/611236274.db2.gz GSEWACUBPCRZMS-KURKYZTESA-N 1 1 333.476 0.758 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)CC[C@@H]2C1 ZINC000946895898 611238534 /nfs/dbraw/zinc/23/85/34/611238534.db2.gz CEZLNRCCKMOEOT-OKILXGFUSA-N 1 1 326.400 0.598 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)CC[C@@H]2C1 ZINC000946899578 611241267 /nfs/dbraw/zinc/24/12/67/611241267.db2.gz KVXACXGLYXJTPM-GASCZTMLSA-N 1 1 340.427 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C1 ZINC000923580339 611268777 /nfs/dbraw/zinc/26/87/77/611268777.db2.gz AHQLOXAHCUHIEM-LBPRGKRZSA-N 1 1 338.433 0.092 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C1 ZINC000923580339 611268779 /nfs/dbraw/zinc/26/87/79/611268779.db2.gz AHQLOXAHCUHIEM-LBPRGKRZSA-N 1 1 338.433 0.092 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@]2(C)Oc3ccccc3NC2=O)C1 ZINC000923594015 611275116 /nfs/dbraw/zinc/27/51/16/611275116.db2.gz FNCINJYERDPGNQ-UGSOOPFHSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)Oc3ccccc3NC2=O)C1 ZINC000923594015 611275118 /nfs/dbraw/zinc/27/51/18/611275118.db2.gz FNCINJYERDPGNQ-UGSOOPFHSA-N 1 1 327.384 0.990 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000946496252 611285057 /nfs/dbraw/zinc/28/50/57/611285057.db2.gz GECKXIOCNUVXEX-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000834578897 611293844 /nfs/dbraw/zinc/29/38/44/611293844.db2.gz GLUGWLVWZLNPOY-QGZVFWFLSA-N 1 1 348.491 0.392 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@H]2CC1 ZINC000946521662 611299647 /nfs/dbraw/zinc/29/96/47/611299647.db2.gz YTVORNQYXVJYHF-MCIONIFRSA-N 1 1 343.435 0.838 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@H]2CC1 ZINC000946521662 611299648 /nfs/dbraw/zinc/29/96/48/611299648.db2.gz YTVORNQYXVJYHF-MCIONIFRSA-N 1 1 343.435 0.838 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000834795968 611301747 /nfs/dbraw/zinc/30/17/47/611301747.db2.gz HVUADTRQYVZWHT-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1nnnn1-c1ccccc1 ZINC000836286652 611309499 /nfs/dbraw/zinc/30/94/99/611309499.db2.gz AXBXUGUQBWHLCO-UHFFFAOYSA-N 1 1 327.392 0.417 20 30 ECEDMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1 ZINC000946542099 611313837 /nfs/dbraw/zinc/31/38/37/611313837.db2.gz DODAHTGPKZFWSF-IJEWVQPXSA-N 1 1 343.431 0.934 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)o1 ZINC000921910225 611325255 /nfs/dbraw/zinc/32/52/55/611325255.db2.gz IHHZEONALDOUJG-GFCCVEGCSA-N 1 1 325.390 0.683 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)o1 ZINC000921910225 611325257 /nfs/dbraw/zinc/32/52/57/611325257.db2.gz IHHZEONALDOUJG-GFCCVEGCSA-N 1 1 325.390 0.683 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@H](C)C2)cn1 ZINC000947948507 611752569 /nfs/dbraw/zinc/75/25/69/611752569.db2.gz OGTKSUVXWXPGEG-CJNGLKHVSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@H](C)C2)cn1 ZINC000947948507 611752571 /nfs/dbraw/zinc/75/25/71/611752571.db2.gz OGTKSUVXWXPGEG-CJNGLKHVSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H](C)C2)nc1 ZINC000947949680 611752862 /nfs/dbraw/zinc/75/28/62/611752862.db2.gz YYYWNVPYYLGPLH-CJNGLKHVSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H](C)C2)nc1 ZINC000947949680 611752864 /nfs/dbraw/zinc/75/28/64/611752864.db2.gz YYYWNVPYYLGPLH-CJNGLKHVSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H](C)C2)cn1 ZINC000947949334 611752916 /nfs/dbraw/zinc/75/29/16/611752916.db2.gz UFTZFMABJLTZKE-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO CN1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+](C)CC1 ZINC000934000346 611764863 /nfs/dbraw/zinc/76/48/63/611764863.db2.gz LUCWSHAVNZJOGZ-KRWDZBQOSA-N 1 1 332.448 0.477 20 30 ECEDMO CN1CCN(C)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000934000346 611764864 /nfs/dbraw/zinc/76/48/64/611764864.db2.gz LUCWSHAVNZJOGZ-KRWDZBQOSA-N 1 1 332.448 0.477 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC000949927072 611818507 /nfs/dbraw/zinc/81/85/07/611818507.db2.gz FQZDWQQKCBBCAF-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC000949927072 611818509 /nfs/dbraw/zinc/81/85/09/611818509.db2.gz FQZDWQQKCBBCAF-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO N#CCN1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC000949095335 611852147 /nfs/dbraw/zinc/85/21/47/611852147.db2.gz HXJNQYPSDTZLMJ-JKSUJKDBSA-N 1 1 348.447 0.067 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1cscn1 ZINC000950755287 611890555 /nfs/dbraw/zinc/89/05/55/611890555.db2.gz ITJPJGCLOVOZDI-CABCVRRESA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1cscn1 ZINC000950755287 611890557 /nfs/dbraw/zinc/89/05/57/611890557.db2.gz ITJPJGCLOVOZDI-CABCVRRESA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cn(C)nc1C ZINC000950755798 611891337 /nfs/dbraw/zinc/89/13/37/611891337.db2.gz UQBQZTWLGBZJPY-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cn(C)nc1C ZINC000950755798 611891338 /nfs/dbraw/zinc/89/13/38/611891338.db2.gz UQBQZTWLGBZJPY-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cncc(C)c1 ZINC000950755964 611891765 /nfs/dbraw/zinc/89/17/65/611891765.db2.gz YSLOYGACCWJNIF-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cncc(C)c1 ZINC000950755964 611891767 /nfs/dbraw/zinc/89/17/67/611891767.db2.gz YSLOYGACCWJNIF-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298028 611931076 /nfs/dbraw/zinc/93/10/76/611931076.db2.gz HTZMPMLCXYQTMA-BXUZGUMPSA-N 1 1 340.387 0.819 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC000949340408 611944594 /nfs/dbraw/zinc/94/45/94/611944594.db2.gz MXGCOSSPJRXVMC-OAHLLOKOSA-N 1 1 333.432 0.229 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC000949340408 611944595 /nfs/dbraw/zinc/94/45/95/611944595.db2.gz MXGCOSSPJRXVMC-OAHLLOKOSA-N 1 1 333.432 0.229 20 30 ECEDMO COCC[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000949343619 611945703 /nfs/dbraw/zinc/94/57/03/611945703.db2.gz KZWQCVOIOLWXSL-UHFFFAOYSA-N 1 1 332.404 0.840 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000950854020 611946514 /nfs/dbraw/zinc/94/65/14/611946514.db2.gz CBBRIYORDQCFPO-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC000950277169 611946809 /nfs/dbraw/zinc/94/68/09/611946809.db2.gz JPFDICXDJNKJKO-HOTGVXAUSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC000950277169 611946812 /nfs/dbraw/zinc/94/68/12/611946812.db2.gz JPFDICXDJNKJKO-HOTGVXAUSA-N 1 1 343.431 0.157 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950321323 611970250 /nfs/dbraw/zinc/97/02/50/611970250.db2.gz ZOFXKWQYPVYNFP-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)cn3)CC2)C1 ZINC000949418466 611971843 /nfs/dbraw/zinc/97/18/43/611971843.db2.gz BNBVXZOGJBONBX-UHFFFAOYSA-N 1 1 346.431 0.663 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](OC)[C@@H]3CCOC3)CC2)C1 ZINC000949427661 611976060 /nfs/dbraw/zinc/97/60/60/611976060.db2.gz TXRHDZGTIAZWRZ-HZPDHXFCSA-N 1 1 338.448 0.917 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H](OC)[C@@H]3CCOC3)CC2)C1 ZINC000949427661 611976061 /nfs/dbraw/zinc/97/60/61/611976061.db2.gz TXRHDZGTIAZWRZ-HZPDHXFCSA-N 1 1 338.448 0.917 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC000949472636 611992302 /nfs/dbraw/zinc/99/23/02/611992302.db2.gz KKTGGPMKMJJOST-UHFFFAOYSA-N 1 1 344.415 0.444 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC000949472636 611992303 /nfs/dbraw/zinc/99/23/03/611992303.db2.gz KKTGGPMKMJJOST-UHFFFAOYSA-N 1 1 344.415 0.444 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC000949517298 612017867 /nfs/dbraw/zinc/01/78/67/612017867.db2.gz DLEZKPBWBCCIFL-HOCLYGCPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC000949517298 612017869 /nfs/dbraw/zinc/01/78/69/612017869.db2.gz DLEZKPBWBCCIFL-HOCLYGCPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c(C)ncn1C ZINC000950505788 612044417 /nfs/dbraw/zinc/04/44/17/612044417.db2.gz AQUBUUIHIVXKPI-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c(C)ncn1C ZINC000950505788 612044418 /nfs/dbraw/zinc/04/44/18/612044418.db2.gz AQUBUUIHIVXKPI-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950517009 612049336 /nfs/dbraw/zinc/04/93/36/612049336.db2.gz FBJDODXXBAYCJH-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nccn1CC ZINC000949648278 612051317 /nfs/dbraw/zinc/05/13/17/612051317.db2.gz RTDHWVDYQCVCEY-GJZGRUSLSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nccn1CC ZINC000949648278 612051319 /nfs/dbraw/zinc/05/13/19/612051319.db2.gz RTDHWVDYQCVCEY-GJZGRUSLSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nccc(C)n1 ZINC000949656386 612053782 /nfs/dbraw/zinc/05/37/82/612053782.db2.gz MVXHICKLZUXSDQ-CABCVRRESA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nccc(C)n1 ZINC000949656386 612053784 /nfs/dbraw/zinc/05/37/84/612053784.db2.gz MVXHICKLZUXSDQ-CABCVRRESA-N 1 1 341.415 0.213 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000951837797 612087332 /nfs/dbraw/zinc/08/73/32/612087332.db2.gz NHFWGSABDIRBCD-IUODEOHRSA-N 1 1 338.371 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2ccon2)C1 ZINC000951223558 612088397 /nfs/dbraw/zinc/08/83/97/612088397.db2.gz KMVJNMVONWMWGF-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2ccon2)C1 ZINC000951223558 612088399 /nfs/dbraw/zinc/08/83/99/612088399.db2.gz KMVJNMVONWMWGF-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cnco2)C1 ZINC000951223977 612089086 /nfs/dbraw/zinc/08/90/86/612089086.db2.gz VBVIBSQFNGRFSU-KBPBESRZSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cnco2)C1 ZINC000951223977 612089088 /nfs/dbraw/zinc/08/90/88/612089088.db2.gz VBVIBSQFNGRFSU-KBPBESRZSA-N 1 1 330.388 0.493 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CCC[C@@H]2C)c1 ZINC000952014438 612177042 /nfs/dbraw/zinc/17/70/42/612177042.db2.gz LVGNBMLKPDCZTP-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000953192236 612198523 /nfs/dbraw/zinc/19/85/23/612198523.db2.gz GDOFWUUSAVCBTD-GUYCJALGSA-N 1 1 329.404 0.802 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC000952135612 612242137 /nfs/dbraw/zinc/24/21/37/612242137.db2.gz INXFJKIJZBKSHW-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC000952135612 612242140 /nfs/dbraw/zinc/24/21/40/612242140.db2.gz INXFJKIJZBKSHW-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000953834788 612337550 /nfs/dbraw/zinc/33/75/50/612337550.db2.gz QNNBMSMCQIMBSA-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000953834788 612337554 /nfs/dbraw/zinc/33/75/54/612337554.db2.gz QNNBMSMCQIMBSA-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000953846763 612348012 /nfs/dbraw/zinc/34/80/12/612348012.db2.gz DUGMWVUWOMEBIC-AWEZNQCLSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000955260783 612389812 /nfs/dbraw/zinc/38/98/12/612389812.db2.gz RFZNFICADCIQLN-OAHLLOKOSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000955260783 612389813 /nfs/dbraw/zinc/38/98/13/612389813.db2.gz RFZNFICADCIQLN-OAHLLOKOSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c(C)cnn1C ZINC000951636775 612420121 /nfs/dbraw/zinc/42/01/21/612420121.db2.gz GYUHGMXVHAXYGT-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c(C)cnn1C ZINC000951636775 612420127 /nfs/dbraw/zinc/42/01/27/612420127.db2.gz GYUHGMXVHAXYGT-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000955340280 612462371 /nfs/dbraw/zinc/46/23/71/612462371.db2.gz JLVQMTUUELZZGU-CYBMUJFWSA-N 1 1 346.435 0.089 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCn2cccn2)C1 ZINC000954631096 612469211 /nfs/dbraw/zinc/46/92/11/612469211.db2.gz OWFKMIQGQWDHJR-INIZCTEOSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCn2cccn2)C1 ZINC000954631096 612469213 /nfs/dbraw/zinc/46/92/13/612469213.db2.gz OWFKMIQGQWDHJR-INIZCTEOSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnoc2CC)C1 ZINC000954631046 612469571 /nfs/dbraw/zinc/46/95/71/612469571.db2.gz HIRDEIKHQRRIJH-HNNXBMFYSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnoc2CC)C1 ZINC000954631046 612469573 /nfs/dbraw/zinc/46/95/73/612469573.db2.gz HIRDEIKHQRRIJH-HNNXBMFYSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2cccnc2)C1 ZINC000954631077 612469581 /nfs/dbraw/zinc/46/95/81/612469581.db2.gz OHWLHRJDGMINRS-KRWDZBQOSA-N 1 1 340.427 0.391 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2cccnc2)C1 ZINC000954631077 612469584 /nfs/dbraw/zinc/46/95/84/612469584.db2.gz OHWLHRJDGMINRS-KRWDZBQOSA-N 1 1 340.427 0.391 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccns2)C1 ZINC000954631326 612469604 /nfs/dbraw/zinc/46/96/04/612469604.db2.gz WQNCWHRLNZUQOJ-ZDUSSCGKSA-N 1 1 332.429 0.524 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccns2)C1 ZINC000954631326 612469606 /nfs/dbraw/zinc/46/96/06/612469606.db2.gz WQNCWHRLNZUQOJ-ZDUSSCGKSA-N 1 1 332.429 0.524 20 30 ECEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)C[C@@H](O)CN1CCOCC1 ZINC000083245335 612481249 /nfs/dbraw/zinc/48/12/49/612481249.db2.gz WFYFBGNEMARJID-QGZVFWFLSA-N 1 1 333.432 0.952 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000956776751 612517237 /nfs/dbraw/zinc/51/72/37/612517237.db2.gz OWAUXEJBVDCYSH-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000956776915 612518503 /nfs/dbraw/zinc/51/85/03/612518503.db2.gz RLNQYAYIXXRQMD-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC000955970107 612542355 /nfs/dbraw/zinc/54/23/55/612542355.db2.gz JQQBSBIXJQTSRX-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC000956019402 612616870 /nfs/dbraw/zinc/61/68/70/612616870.db2.gz DZTUDWOPZBKKSX-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000956842908 612616883 /nfs/dbraw/zinc/61/68/83/612616883.db2.gz NMEFEHAYVWEUDC-DWQUBVKVSA-N 1 1 343.431 0.947 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954079963 612640296 /nfs/dbraw/zinc/64/02/96/612640296.db2.gz ORPQLGMADIPQCV-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2csnc2C)C1 ZINC000954102103 612663468 /nfs/dbraw/zinc/66/34/68/612663468.db2.gz UGKLFWUBOVVJFB-HNNXBMFYSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2csnc2C)C1 ZINC000954102103 612663471 /nfs/dbraw/zinc/66/34/71/612663471.db2.gz UGKLFWUBOVVJFB-HNNXBMFYSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cncn1C ZINC000956072760 612676526 /nfs/dbraw/zinc/67/65/26/612676526.db2.gz JZPSTEDUTQFRLR-GJZGRUSLSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cncn1C ZINC000956072760 612676528 /nfs/dbraw/zinc/67/65/28/612676528.db2.gz JZPSTEDUTQFRLR-GJZGRUSLSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccon1 ZINC000956073114 612677491 /nfs/dbraw/zinc/67/74/91/612677491.db2.gz NTTXDPMRKJWDIM-ZFWWWQNUSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccon1 ZINC000956073114 612677494 /nfs/dbraw/zinc/67/74/94/612677494.db2.gz NTTXDPMRKJWDIM-ZFWWWQNUSA-N 1 1 330.388 0.493 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954794615 612688934 /nfs/dbraw/zinc/68/89/34/612688934.db2.gz HTEHYFAIWZQKJT-UHFFFAOYSA-N 1 1 326.360 0.374 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000956928814 612712352 /nfs/dbraw/zinc/71/23/52/612712352.db2.gz LOVYTEXRKIFPGK-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956110611 612715511 /nfs/dbraw/zinc/71/55/11/612715511.db2.gz XMSWXVBYNKTTOM-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C[C@H]1CCOC1 ZINC000956199787 612775736 /nfs/dbraw/zinc/77/57/36/612775736.db2.gz XQHXEMZAYRVUNF-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C[C@H]1CCOC1 ZINC000956199787 612775737 /nfs/dbraw/zinc/77/57/37/612775737.db2.gz XQHXEMZAYRVUNF-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nc1 ZINC000954911973 612781241 /nfs/dbraw/zinc/78/12/41/612781241.db2.gz CXXBOMQTCFECLB-AWEZNQCLSA-N 1 1 340.427 0.830 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000954421886 612901081 /nfs/dbraw/zinc/90/10/81/612901081.db2.gz FOYHSNIEABHJCD-OAHLLOKOSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000954421886 612901084 /nfs/dbraw/zinc/90/10/84/612901084.db2.gz FOYHSNIEABHJCD-OAHLLOKOSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)C2CCOCC2)C1 ZINC000956628879 612926194 /nfs/dbraw/zinc/92/61/94/612926194.db2.gz NUBJWHITOOFVDX-LPHOPBHVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)C2CCOCC2)C1 ZINC000956628879 612926195 /nfs/dbraw/zinc/92/61/95/612926195.db2.gz NUBJWHITOOFVDX-LPHOPBHVSA-N 1 1 347.459 0.618 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3cncc(CC#N)n3)CC[C@@H]2C1 ZINC001164855414 720869927 /nfs/dbraw/zinc/86/99/27/720869927.db2.gz MDRSVDVIBBLVKN-GDBMZVCRSA-N 1 1 331.420 0.716 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3cnc(C#N)c(C)n3)CC[C@@H]2C1 ZINC001164858936 720869985 /nfs/dbraw/zinc/86/99/85/720869985.db2.gz SZJWLBHABXYWLE-GDBMZVCRSA-N 1 1 331.420 0.830 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC001098215442 735294449 /nfs/dbraw/zinc/29/44/49/735294449.db2.gz NVAAFBWAFYLSSA-DZGCQCFKSA-N 1 1 346.435 0.683 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1=O ZINC000176202664 735342262 /nfs/dbraw/zinc/34/22/62/735342262.db2.gz BQVRNBGSDQIJQX-GASCZTMLSA-N 1 1 346.431 0.623 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4c(cnn4C)c3)[C@H]2C1 ZINC001083234793 735460516 /nfs/dbraw/zinc/46/05/16/735460516.db2.gz VMXZKLDFMIGZGS-JKSUJKDBSA-N 1 1 339.399 0.517 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4c(cnn4C)c3)[C@H]2C1 ZINC001083234793 735460518 /nfs/dbraw/zinc/46/05/18/735460518.db2.gz VMXZKLDFMIGZGS-JKSUJKDBSA-N 1 1 339.399 0.517 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000972004287 735488870 /nfs/dbraw/zinc/48/88/70/735488870.db2.gz CUZPFOBMIGNQGD-AWEZNQCLSA-N 1 1 327.392 0.780 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001023344816 736717453 /nfs/dbraw/zinc/71/74/53/736717453.db2.gz UXTTUXQCJZEZCK-WDEREUQCSA-N 1 1 346.225 0.832 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001023344816 736717455 /nfs/dbraw/zinc/71/74/55/736717455.db2.gz UXTTUXQCJZEZCK-WDEREUQCSA-N 1 1 346.225 0.832 20 30 ECEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000969115959 731478962 /nfs/dbraw/zinc/47/89/62/731478962.db2.gz ZEFRXPQMUKPVQQ-ZDUSSCGKSA-N 1 1 344.419 0.968 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001069972911 790264257 /nfs/dbraw/zinc/26/42/57/790264257.db2.gz CUSSJTDJNOSXTC-XHSDSOJGSA-N 1 1 346.435 0.064 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001069972911 790264261 /nfs/dbraw/zinc/26/42/61/790264261.db2.gz CUSSJTDJNOSXTC-XHSDSOJGSA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000969150206 731526541 /nfs/dbraw/zinc/52/65/41/731526541.db2.gz DSURHCHFVBBIMU-STQMWFEESA-N 1 1 349.884 0.791 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000969150206 731526544 /nfs/dbraw/zinc/52/65/44/731526544.db2.gz DSURHCHFVBBIMU-STQMWFEESA-N 1 1 349.884 0.791 20 30 ECEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000969156195 731536274 /nfs/dbraw/zinc/53/62/74/731536274.db2.gz LZWJAPGYWFXEEO-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ncccc2C#N)C1 ZINC001125280012 731572642 /nfs/dbraw/zinc/57/26/42/731572642.db2.gz OMHUJDQFKZJWSH-ZBFHGGJFSA-N 1 1 345.447 0.551 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cnc(C)cn3)C2)C1=O ZINC000969242491 731638888 /nfs/dbraw/zinc/63/88/88/731638888.db2.gz IEQUHMTZLDQVJP-CZUORRHYSA-N 1 1 343.431 0.622 20 30 ECEDMO C[C@H](NC(=O)[C@H]1COCCO1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969321238 731717327 /nfs/dbraw/zinc/71/73/27/731717327.db2.gz BRJXEMLSKFCZQI-SUMWQHHRSA-N 1 1 329.400 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC000969354262 731752004 /nfs/dbraw/zinc/75/20/04/731752004.db2.gz BGQHGJZVVLRQGV-XJKSGUPXSA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973009812 738541011 /nfs/dbraw/zinc/54/10/11/738541011.db2.gz KPHVZXXJQSRBEL-FZMZJTMJSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973009812 738541015 /nfs/dbraw/zinc/54/10/15/738541015.db2.gz KPHVZXXJQSRBEL-FZMZJTMJSA-N 1 1 331.420 0.803 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ocnc3C)C2)C1=O ZINC000969457332 731903045 /nfs/dbraw/zinc/90/30/45/731903045.db2.gz XAWSLBSEIONLTD-FZMZJTMJSA-N 1 1 332.404 0.820 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC000969526116 731948530 /nfs/dbraw/zinc/94/85/30/731948530.db2.gz JMPANTNKKHJFDI-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3coc(C)n3)C2)C1=O ZINC000969548832 731957660 /nfs/dbraw/zinc/95/76/60/731957660.db2.gz OSQRGSMEXGRDAQ-NHYWBVRUSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cnnc(C)c3)C2)C1=O ZINC000969560006 731967420 /nfs/dbraw/zinc/96/74/20/731967420.db2.gz BHXQRRPSJXVAOP-BBRMVZONSA-N 1 1 343.431 0.622 20 30 ECEDMO C[C@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969597458 731995378 /nfs/dbraw/zinc/99/53/78/731995378.db2.gz ZVIXQHYVRKOZNJ-BLLLJJGKSA-N 1 1 345.374 0.722 20 30 ECEDMO C[C@H](NC(=O)c1cnnn1C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969600174 731996746 /nfs/dbraw/zinc/99/67/46/731996746.db2.gz ZGJDHRZHXONGFR-JTQLQIEISA-N 1 1 330.417 0.999 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CCc2cnccn2)CC1 ZINC001098524315 732050882 /nfs/dbraw/zinc/05/08/82/732050882.db2.gz HLKUTDZMXFWLLK-UHFFFAOYSA-N 1 1 330.432 0.718 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001078074599 782256759 /nfs/dbraw/zinc/25/67/59/782256759.db2.gz JRDDBUYKHRJFPL-ZFWWWQNUSA-N 1 1 348.447 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nnc(C)s2)C1 ZINC000969865803 732464021 /nfs/dbraw/zinc/46/40/21/732464021.db2.gz QXLPEJDJYZPAJS-WFASDCNBSA-N 1 1 347.488 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nnc(C)s2)C1 ZINC000969865803 732464024 /nfs/dbraw/zinc/46/40/24/732464024.db2.gz QXLPEJDJYZPAJS-WFASDCNBSA-N 1 1 347.488 0.881 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC001098526349 732523658 /nfs/dbraw/zinc/52/36/58/732523658.db2.gz HBMZINFXCFXYCI-HNNXBMFYSA-N 1 1 349.435 0.324 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C(=O)N2CCC[C@@H]2CC)CC1 ZINC001098527331 732733509 /nfs/dbraw/zinc/73/35/09/732733509.db2.gz YREYDLHLMBBGKY-HNNXBMFYSA-N 1 1 335.448 0.306 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC001041828464 782287924 /nfs/dbraw/zinc/28/79/24/782287924.db2.gz CGYYILNRFBYEKM-GOSISDBHSA-N 1 1 338.415 0.615 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCCN2C(N)=O)CC1 ZINC001098530564 733021316 /nfs/dbraw/zinc/02/13/16/733021316.db2.gz CHRGZEDKJSQSMG-OAHLLOKOSA-N 1 1 338.452 0.391 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC001041839112 782317290 /nfs/dbraw/zinc/31/72/90/782317290.db2.gz IAWUDCXJJPDJNU-WMZOPIPTSA-N 1 1 335.448 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)CCCO)CC2)cn1 ZINC001098536130 733157135 /nfs/dbraw/zinc/15/71/35/733157135.db2.gz AXMUOKGXMDWHKC-UHFFFAOYSA-N 1 1 331.416 0.344 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CNc2nccnc2C#N)C(C)(C)C)C1 ZINC001125828841 738684304 /nfs/dbraw/zinc/68/43/04/738684304.db2.gz XJJGNJOJJWHJLD-KBPBESRZSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CNc2nccnc2C#N)C(C)(C)C)C1 ZINC001125828841 738684307 /nfs/dbraw/zinc/68/43/07/738684307.db2.gz XJJGNJOJJWHJLD-KBPBESRZSA-N 1 1 346.435 0.622 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)CCCOC)CC2)cn1 ZINC001098536353 733166754 /nfs/dbraw/zinc/16/67/54/733166754.db2.gz GNWHURBUGJQDGL-UHFFFAOYSA-N 1 1 345.443 0.998 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@]3(CC[N@@H+](C[C@@H](C)O)C3)C2)CC1 ZINC001041844998 782327029 /nfs/dbraw/zinc/32/70/29/782327029.db2.gz RHFVXACGFSJNQM-APWZRJJASA-N 1 1 333.476 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@]3(CC[N@H+](C[C@@H](C)O)C3)C2)CC1 ZINC001041844998 782327035 /nfs/dbraw/zinc/32/70/35/782327035.db2.gz RHFVXACGFSJNQM-APWZRJJASA-N 1 1 333.476 0.637 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(Cl)n3C)C2)nn1 ZINC000970204649 733198015 /nfs/dbraw/zinc/19/80/15/733198015.db2.gz XALIVZCMJYIAST-LLVKDONJSA-N 1 1 349.826 0.855 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncccn3)C2)nn1 ZINC000970224328 733235246 /nfs/dbraw/zinc/23/52/46/733235246.db2.gz OJTVPCBPCFCNLW-CYBMUJFWSA-N 1 1 327.392 0.649 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970278127 733296184 /nfs/dbraw/zinc/29/61/84/733296184.db2.gz UUELNIOUEZTRGU-RHSMWYFYSA-N 1 1 340.427 0.498 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cc(COC)ncn1 ZINC001104253287 733367918 /nfs/dbraw/zinc/36/79/18/733367918.db2.gz JVONPSVKLGEVCN-HOCLYGCPSA-N 1 1 345.447 0.885 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cc(COC)ncn1 ZINC001104253287 733367919 /nfs/dbraw/zinc/36/79/19/733367919.db2.gz JVONPSVKLGEVCN-HOCLYGCPSA-N 1 1 345.447 0.885 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1ncnc2nc[nH]c21 ZINC001104253072 733368073 /nfs/dbraw/zinc/36/80/73/733368073.db2.gz DFUCDXRMRVOCGB-STQMWFEESA-N 1 1 341.419 0.566 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1ncnc2nc[nH]c21 ZINC001104253072 733368079 /nfs/dbraw/zinc/36/80/79/733368079.db2.gz DFUCDXRMRVOCGB-STQMWFEESA-N 1 1 341.419 0.566 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2O)CC1 ZINC000970336419 733369378 /nfs/dbraw/zinc/36/93/78/733369378.db2.gz MWCRDHARYDEPIW-OIISXLGYSA-N 1 1 349.475 0.763 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000970355344 733405466 /nfs/dbraw/zinc/40/54/66/733405466.db2.gz YTBXHYZZXJVULB-BMIGLBTASA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1ccc(C#N)cn1 ZINC001104269617 733537153 /nfs/dbraw/zinc/53/71/53/733537153.db2.gz BGXPYNCZWCRPAX-UMVBOHGHSA-N 1 1 331.420 0.837 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1ccc(C#N)cn1 ZINC001104269617 733537157 /nfs/dbraw/zinc/53/71/57/733537157.db2.gz BGXPYNCZWCRPAX-UMVBOHGHSA-N 1 1 331.420 0.837 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001078138814 782357517 /nfs/dbraw/zinc/35/75/17/782357517.db2.gz TYUJTEHKOMVVAL-HUUCEWRRSA-N 1 1 332.400 0.810 20 30 ECEDMO C#CCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000289132298 733658428 /nfs/dbraw/zinc/65/84/28/733658428.db2.gz JLHUURLAUFHOFB-SJORKVTESA-N 1 1 336.457 0.812 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC000970562849 733677757 /nfs/dbraw/zinc/67/77/57/733677757.db2.gz LSFKDBZDVUFHKN-OLZOCXBDSA-N 1 1 348.451 0.381 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000973104289 738747795 /nfs/dbraw/zinc/74/77/95/738747795.db2.gz FARCTMYYEFWRGZ-QXKUPLGCSA-N 1 1 335.448 0.825 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)C2(C(=O)NC)CCC2)CC1 ZINC001098540357 733832432 /nfs/dbraw/zinc/83/24/32/733832432.db2.gz FWHAWZVRAVYQAK-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N(C)C3CC3)C2)nc1 ZINC000970761969 733921678 /nfs/dbraw/zinc/92/16/78/733921678.db2.gz BHOVIXYATVUEPP-CYBMUJFWSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCC3)C2)nc1 ZINC000970763713 733926138 /nfs/dbraw/zinc/92/61/38/733926138.db2.gz NWYIVRWKYXUGAY-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4ccccn4)c3)[C@H]2C1 ZINC001083211111 734223250 /nfs/dbraw/zinc/22/32/50/734223250.db2.gz JZXSIUQIZVFCEL-JKSUJKDBSA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4ccccn4)c3)[C@H]2C1 ZINC001083211111 734223254 /nfs/dbraw/zinc/22/32/54/734223254.db2.gz JZXSIUQIZVFCEL-JKSUJKDBSA-N 1 1 339.399 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cnn(C)c3C)C2)C1=O ZINC000971084057 734245160 /nfs/dbraw/zinc/24/51/60/734245160.db2.gz SCGMTLAPZBDYQH-GOEBONIOSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCn3cccn3)C2)C1=O ZINC000971101695 734266120 /nfs/dbraw/zinc/26/61/20/734266120.db2.gz MYINBIQPZFRZQE-CVEARBPZSA-N 1 1 345.447 0.593 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CO[C@H](C)c2nccn2C)CC1 ZINC001098547577 734295658 /nfs/dbraw/zinc/29/56/58/734295658.db2.gz BHPBDYKAWNRCAN-OAHLLOKOSA-N 1 1 348.447 0.416 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(c3ccc(C#N)nn3)CCO2)C1 ZINC001104321430 734296808 /nfs/dbraw/zinc/29/68/08/734296808.db2.gz FAXUBHUFPLKKIY-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104323270 734302750 /nfs/dbraw/zinc/30/27/50/734302750.db2.gz MMBOICVQUFGJLD-INIZCTEOSA-N 1 1 331.420 0.616 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)CC1 ZINC001098548136 734319168 /nfs/dbraw/zinc/31/91/68/734319168.db2.gz PKKXYFYYHIPTFN-INIZCTEOSA-N 1 1 335.448 0.163 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2nc(C)cc(C#N)n2)CCO1 ZINC001104328901 734347516 /nfs/dbraw/zinc/34/75/16/734347516.db2.gz QLOWNKNNQRVKBA-OAHLLOKOSA-N 1 1 346.435 0.320 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 ZINC001104329122 734349289 /nfs/dbraw/zinc/34/92/89/734349289.db2.gz WBVYZJKJOLHEOD-CYBMUJFWSA-N 1 1 332.408 0.011 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3nnc[nH]3)C2)C1=O ZINC000971302211 734432096 /nfs/dbraw/zinc/43/20/96/734432096.db2.gz ULQYMWDKBDZKLQ-UONOGXRCSA-N 1 1 346.435 0.057 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001098550534 734454351 /nfs/dbraw/zinc/45/43/51/734454351.db2.gz SCLCPAHXTCVLFS-UHFFFAOYSA-N 1 1 332.448 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC(C)CC3)[C@H]2C1 ZINC001083216426 734465967 /nfs/dbraw/zinc/46/59/67/734465967.db2.gz YZVUBOOMGMGDKF-JKSUJKDBSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC(C)CC3)[C@H]2C1 ZINC001083216426 734465970 /nfs/dbraw/zinc/46/59/70/734465970.db2.gz YZVUBOOMGMGDKF-JKSUJKDBSA-N 1 1 333.432 0.180 20 30 ECEDMO C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971377252 734488832 /nfs/dbraw/zinc/48/88/32/734488832.db2.gz VUNIWDIMDAILRI-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3cncc(C#N)n3)CCO2)C1 ZINC001104349024 734518779 /nfs/dbraw/zinc/51/87/79/734518779.db2.gz BPNRPTYUSUOJHI-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2ccncc2C#N)CCO1 ZINC001104349846 734522777 /nfs/dbraw/zinc/52/27/77/734522777.db2.gz MHKLATYANZFLNF-GOEBONIOSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)CCO1)C1CCC1 ZINC001104353100 734596925 /nfs/dbraw/zinc/59/69/25/734596925.db2.gz PMCUBWOJEGLHLY-KRWDZBQOSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cnnn3CC)C2)C1=O ZINC000971496123 734689887 /nfs/dbraw/zinc/68/98/87/734689887.db2.gz JVHLUEKWDCRTIL-UONOGXRCSA-N 1 1 346.435 0.231 20 30 ECEDMO C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971503354 734693278 /nfs/dbraw/zinc/69/32/78/734693278.db2.gz DQLQHCIJIJVLQZ-CQSZACIVSA-N 1 1 346.431 0.263 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC000973154116 738841045 /nfs/dbraw/zinc/84/10/45/738841045.db2.gz IIFIQFGPJBFENI-IHRRRGAJSA-N 1 1 339.386 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC000973154116 738841050 /nfs/dbraw/zinc/84/10/50/738841050.db2.gz IIFIQFGPJBFENI-IHRRRGAJSA-N 1 1 339.386 0.893 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC000971632740 734843159 /nfs/dbraw/zinc/84/31/59/734843159.db2.gz INKMXJBAKHABBM-RYUDHWBXSA-N 1 1 327.812 0.809 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC000971632740 734843161 /nfs/dbraw/zinc/84/31/61/734843161.db2.gz INKMXJBAKHABBM-RYUDHWBXSA-N 1 1 327.812 0.809 20 30 ECEDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C(C)(C)C#N)C2)C1 ZINC001143398412 734877939 /nfs/dbraw/zinc/87/79/39/734877939.db2.gz MLZQVZPPSHNMHD-KRWDZBQOSA-N 1 1 336.436 0.223 20 30 ECEDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C(C)(C)C#N)C2)C1 ZINC001143398412 734877940 /nfs/dbraw/zinc/87/79/40/734877940.db2.gz MLZQVZPPSHNMHD-KRWDZBQOSA-N 1 1 336.436 0.223 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cnc(C)o3)C2)C1=O ZINC000971670802 734936441 /nfs/dbraw/zinc/93/64/41/734936441.db2.gz LTTZRIDRSNSPRD-GOEBONIOSA-N 1 1 346.431 0.845 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001098555739 734951627 /nfs/dbraw/zinc/95/16/27/734951627.db2.gz OCIJJFIZHQWEPK-SFHVURJKSA-N 1 1 344.411 0.745 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000971813862 735113914 /nfs/dbraw/zinc/11/39/14/735113914.db2.gz PFKUUXAXFYYXBL-GFCCVEGCSA-N 1 1 327.406 0.649 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)Nc2ccncc2C#N)C1 ZINC001098215071 735212528 /nfs/dbraw/zinc/21/25/28/735212528.db2.gz FWABUGVKQWZTSJ-CJNGLKHVSA-N 1 1 331.420 0.401 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000972045197 735556275 /nfs/dbraw/zinc/55/62/75/735556275.db2.gz MEYBMMYXPXFGTJ-ZDUSSCGKSA-N 1 1 349.822 0.781 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000972045197 735556276 /nfs/dbraw/zinc/55/62/76/735556276.db2.gz MEYBMMYXPXFGTJ-ZDUSSCGKSA-N 1 1 349.822 0.781 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078668 735618965 /nfs/dbraw/zinc/61/89/65/735618965.db2.gz IUAXOVKTCJTIJG-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972201092 735778606 /nfs/dbraw/zinc/77/86/06/735778606.db2.gz XBRZQQAQHYRVNO-GJZGRUSLSA-N 1 1 327.388 0.272 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972201092 735778609 /nfs/dbraw/zinc/77/86/09/735778609.db2.gz XBRZQQAQHYRVNO-GJZGRUSLSA-N 1 1 327.388 0.272 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(N(C)C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001006406168 751357585 /nfs/dbraw/zinc/35/75/85/751357585.db2.gz GTNNACBWPXTGIZ-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001058908727 751362248 /nfs/dbraw/zinc/36/22/48/751362248.db2.gz DGQGUFXDGTZRJE-HOTGVXAUSA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001058908727 751362252 /nfs/dbraw/zinc/36/22/52/751362252.db2.gz DGQGUFXDGTZRJE-HOTGVXAUSA-N 1 1 329.404 0.687 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2ncc3n2CCCC3)CC1 ZINC001098566967 735869135 /nfs/dbraw/zinc/86/91/35/735869135.db2.gz XOGDYJLREWCDFQ-UHFFFAOYSA-N 1 1 330.432 0.752 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@H+](CCc1cnn(C)c1)CCO2 ZINC000972297410 735906405 /nfs/dbraw/zinc/90/64/05/735906405.db2.gz IUYCLYDQZOYTKL-RHSMWYFYSA-N 1 1 331.420 0.426 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@@H+](CCc1cnn(C)c1)CCO2 ZINC000972297410 735906408 /nfs/dbraw/zinc/90/64/08/735906408.db2.gz IUYCLYDQZOYTKL-RHSMWYFYSA-N 1 1 331.420 0.426 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C)nc3OC)C2)C1 ZINC000972404657 736133100 /nfs/dbraw/zinc/13/31/00/736133100.db2.gz GUGFABOASVOLTO-GOSISDBHSA-N 1 1 344.415 0.734 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C)nc3OC)C2)C1 ZINC000972404657 736133103 /nfs/dbraw/zinc/13/31/03/736133103.db2.gz GUGFABOASVOLTO-GOSISDBHSA-N 1 1 344.415 0.734 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001078221016 782514062 /nfs/dbraw/zinc/51/40/62/782514062.db2.gz DEIFRDOATSIUJL-BZUAXINKSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCOC)CCO2 ZINC000972415886 736156424 /nfs/dbraw/zinc/15/64/24/736156424.db2.gz BFOBNZGLSBTFEN-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCOC)CCO2 ZINC000972415886 736156428 /nfs/dbraw/zinc/15/64/28/736156428.db2.gz BFOBNZGLSBTFEN-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 ZINC000972420706 736163808 /nfs/dbraw/zinc/16/38/08/736163808.db2.gz ATGJYYJSYUMOCU-QZTJIDSGSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972422064 736165719 /nfs/dbraw/zinc/16/57/19/736165719.db2.gz LLLHEIYGXYKEJB-GOSISDBHSA-N 1 1 346.431 0.906 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972422064 736165727 /nfs/dbraw/zinc/16/57/27/736165727.db2.gz LLLHEIYGXYKEJB-GOSISDBHSA-N 1 1 346.431 0.906 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972440613 736202718 /nfs/dbraw/zinc/20/27/18/736202718.db2.gz HIOBZIZVOAZCKT-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972440613 736202720 /nfs/dbraw/zinc/20/27/20/736202720.db2.gz HIOBZIZVOAZCKT-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 ZINC000972459554 736254141 /nfs/dbraw/zinc/25/41/41/736254141.db2.gz XDQWOHIKUMKEJR-MAUKXSAKSA-N 1 1 335.448 0.925 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 ZINC000972459554 736254144 /nfs/dbraw/zinc/25/41/44/736254144.db2.gz XDQWOHIKUMKEJR-MAUKXSAKSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCN1CCO[C@@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC000972465591 736266388 /nfs/dbraw/zinc/26/63/88/736266388.db2.gz KXSQRTBTUKAUGR-IBGZPJMESA-N 1 1 342.443 0.698 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC001098572677 736289127 /nfs/dbraw/zinc/28/91/27/736289127.db2.gz VRYOXJQUODTYGC-UHFFFAOYSA-N 1 1 332.448 0.890 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480568 736306690 /nfs/dbraw/zinc/30/66/90/736306690.db2.gz OWUJRMGILHKQGR-SJLPKXTDSA-N 1 1 348.447 0.987 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480568 736306692 /nfs/dbraw/zinc/30/66/92/736306692.db2.gz OWUJRMGILHKQGR-SJLPKXTDSA-N 1 1 348.447 0.987 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972480953 736308978 /nfs/dbraw/zinc/30/89/78/736308978.db2.gz WQMSWRUTXXVFIM-MAUKXSAKSA-N 1 1 335.448 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@@H](C)O)CCO3)cc1 ZINC000972491955 736374036 /nfs/dbraw/zinc/37/40/36/736374036.db2.gz GLQXZFACUHSHIE-BEFAXECRSA-N 1 1 328.412 0.966 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@@H](C)O)CCO3)cc1 ZINC000972491955 736374040 /nfs/dbraw/zinc/37/40/40/736374040.db2.gz GLQXZFACUHSHIE-BEFAXECRSA-N 1 1 328.412 0.966 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972495157 736395525 /nfs/dbraw/zinc/39/55/25/736395525.db2.gz XUWZXSJYUWORNL-MAUKXSAKSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 ZINC000972495160 736395663 /nfs/dbraw/zinc/39/56/63/736395663.db2.gz XVMDBKMSNHVWMH-KRWDZBQOSA-N 1 1 332.404 0.369 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 ZINC000972495160 736395668 /nfs/dbraw/zinc/39/56/68/736395668.db2.gz XVMDBKMSNHVWMH-KRWDZBQOSA-N 1 1 332.404 0.369 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)C(N)=O)C2)cc1 ZINC000972496918 736407332 /nfs/dbraw/zinc/40/73/32/736407332.db2.gz YAZQTOJLCAMMNF-HIFRSBDPSA-N 1 1 329.400 0.719 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972506298 736450851 /nfs/dbraw/zinc/45/08/51/736450851.db2.gz JSZGCJBWVXIYLS-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)CC1 ZINC001098575206 736491099 /nfs/dbraw/zinc/49/10/99/736491099.db2.gz GTGXUNJVFKGITA-HNNXBMFYSA-N 1 1 337.464 0.716 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3nc(C)c[nH]3)C2)C1=O ZINC000972514630 736513102 /nfs/dbraw/zinc/51/31/02/736513102.db2.gz RSZNZRRDSJKTFO-ZIAGYGMSSA-N 1 1 331.420 0.651 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)C1 ZINC000972518562 736539210 /nfs/dbraw/zinc/53/92/10/736539210.db2.gz JSDFONNAJQJRGX-QFBILLFUSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)C1 ZINC000972518562 736539212 /nfs/dbraw/zinc/53/92/12/736539212.db2.gz JSDFONNAJQJRGX-QFBILLFUSA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001023244193 736615888 /nfs/dbraw/zinc/61/58/88/736615888.db2.gz GCJKHFIYFDIBFS-HIFRSBDPSA-N 1 1 331.420 0.638 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnns3)C2)C1=O ZINC001023253104 736619563 /nfs/dbraw/zinc/61/95/63/736619563.db2.gz PAQJQOUHNHCTLX-STQMWFEESA-N 1 1 349.460 0.767 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cn(C)nn3)C2)C1=O ZINC001023351221 736721515 /nfs/dbraw/zinc/72/15/15/736721515.db2.gz TUHZIQJQIPNAQW-ZFWWWQNUSA-N 1 1 346.435 0.044 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972555566 736742609 /nfs/dbraw/zinc/74/26/09/736742609.db2.gz ZZSSJEDZOHWCGQ-VKJFTORMSA-N 1 1 335.448 0.590 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCN(C(C)=O)C3)[C@H]2C1 ZINC001083260484 736783039 /nfs/dbraw/zinc/78/30/39/736783039.db2.gz CYUJAWIGENLKME-IXDOHACOSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ncccn2)C1 ZINC001023424284 736810093 /nfs/dbraw/zinc/81/00/93/736810093.db2.gz STOZBXKOSBPVNG-IRXDYDNUSA-N 1 1 341.459 0.902 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ncccn2)C1 ZINC001023424284 736810094 /nfs/dbraw/zinc/81/00/94/736810094.db2.gz STOZBXKOSBPVNG-IRXDYDNUSA-N 1 1 341.459 0.902 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001023443167 736838112 /nfs/dbraw/zinc/83/81/12/736838112.db2.gz GNXUQQRAQOEACJ-HUUCEWRRSA-N 1 1 330.432 0.919 20 30 ECEDMO C=CCCOCC(=O)N1CCC([N@H+](CCO)CC(=O)NCC)CC1 ZINC001098576999 736840795 /nfs/dbraw/zinc/84/07/95/736840795.db2.gz ABUYFOAATRYNAU-UHFFFAOYSA-N 1 1 341.452 0.001 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001023511157 736936978 /nfs/dbraw/zinc/93/69/78/736936978.db2.gz XNXYVPHRRUKEQJ-YESZJQIVSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972586641 736974882 /nfs/dbraw/zinc/97/48/82/736974882.db2.gz ZWTDLGAICSEDHI-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972586641 736974885 /nfs/dbraw/zinc/97/48/85/736974885.db2.gz ZWTDLGAICSEDHI-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(CC=C)nn3)C2)C1 ZINC000972586067 736975349 /nfs/dbraw/zinc/97/53/49/736975349.db2.gz VLALXWDQHPBTCO-QGZVFWFLSA-N 1 1 329.404 0.404 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(CC=C)nn3)C2)C1 ZINC000972586067 736975350 /nfs/dbraw/zinc/97/53/50/736975350.db2.gz VLALXWDQHPBTCO-QGZVFWFLSA-N 1 1 329.404 0.404 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCOC)CCO3)nn1 ZINC000972590324 737003873 /nfs/dbraw/zinc/00/38/73/737003873.db2.gz PMFGRURHPGVIEV-KRWDZBQOSA-N 1 1 349.435 0.418 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCOC)CCO3)nn1 ZINC000972590324 737003875 /nfs/dbraw/zinc/00/38/75/737003875.db2.gz PMFGRURHPGVIEV-KRWDZBQOSA-N 1 1 349.435 0.418 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972591673 737014365 /nfs/dbraw/zinc/01/43/65/737014365.db2.gz DNYUEJZBOPHHDO-KRWDZBQOSA-N 1 1 348.451 0.676 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001023583446 737040013 /nfs/dbraw/zinc/04/00/13/737040013.db2.gz HVNGSEFQCISFBY-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3cccnc3)C2)C1 ZINC000972599531 737054335 /nfs/dbraw/zinc/05/43/35/737054335.db2.gz SIEAMPQVQSIQLH-GOSISDBHSA-N 1 1 329.400 0.787 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)COc3cccnc3)C2)C1 ZINC000972599531 737054337 /nfs/dbraw/zinc/05/43/37/737054337.db2.gz SIEAMPQVQSIQLH-GOSISDBHSA-N 1 1 329.400 0.787 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC000972615302 737099838 /nfs/dbraw/zinc/09/98/38/737099838.db2.gz OTMIPFGDNLVLAG-SFHVURJKSA-N 1 1 346.431 0.997 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3coc(COC)n3)C2)C1 ZINC000972616788 737104439 /nfs/dbraw/zinc/10/44/39/737104439.db2.gz HDQIEKPYGSCQPK-KRWDZBQOSA-N 1 1 333.388 0.761 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3coc(COC)n3)C2)C1 ZINC000972616788 737104443 /nfs/dbraw/zinc/10/44/43/737104443.db2.gz HDQIEKPYGSCQPK-KRWDZBQOSA-N 1 1 333.388 0.761 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001023638156 737125053 /nfs/dbraw/zinc/12/50/53/737125053.db2.gz YOFAYPWJUADMIG-GXTWGEPZSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001023639381 737127226 /nfs/dbraw/zinc/12/72/26/737127226.db2.gz GZHIOZPGQGWMNS-ZFWWWQNUSA-N 1 1 346.435 0.185 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972627774 737148493 /nfs/dbraw/zinc/14/84/93/737148493.db2.gz JYGXGXUPJIKOHW-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972627774 737148496 /nfs/dbraw/zinc/14/84/96/737148496.db2.gz JYGXGXUPJIKOHW-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@@H](C)O)CCO3)cn1 ZINC000972644225 737238999 /nfs/dbraw/zinc/23/89/99/737238999.db2.gz WEJRNGPEUGPHIG-RDTXWAMCSA-N 1 1 329.400 0.361 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@@H](C)O)CCO3)cn1 ZINC000972644225 737239003 /nfs/dbraw/zinc/23/90/03/737239003.db2.gz WEJRNGPEUGPHIG-RDTXWAMCSA-N 1 1 329.400 0.361 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972655013 737262736 /nfs/dbraw/zinc/26/27/36/737262736.db2.gz ZUFWDLADBOCFSE-VQIMIIECSA-N 1 1 347.459 0.762 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972655013 737262739 /nfs/dbraw/zinc/26/27/39/737262739.db2.gz ZUFWDLADBOCFSE-VQIMIIECSA-N 1 1 347.459 0.762 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(CCOC)c3)C2)C1 ZINC000972659591 737270809 /nfs/dbraw/zinc/27/08/09/737270809.db2.gz OPTMNZIGPDEXKI-SFHVURJKSA-N 1 1 346.431 0.470 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(CCOC)c3)C2)C1 ZINC000972659591 737270812 /nfs/dbraw/zinc/27/08/12/737270812.db2.gz OPTMNZIGPDEXKI-SFHVURJKSA-N 1 1 346.431 0.470 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1 ZINC000972667939 737307198 /nfs/dbraw/zinc/30/71/98/737307198.db2.gz SOCSEYBOTNXFJR-LJQANCHMSA-N 1 1 347.459 0.716 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1 ZINC000972667939 737307199 /nfs/dbraw/zinc/30/71/99/737307199.db2.gz SOCSEYBOTNXFJR-LJQANCHMSA-N 1 1 347.459 0.716 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684865 737375587 /nfs/dbraw/zinc/37/55/87/737375587.db2.gz XWICOVOZJNTBDC-KXBFYZLASA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684865 737375589 /nfs/dbraw/zinc/37/55/89/737375589.db2.gz XWICOVOZJNTBDC-KXBFYZLASA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972688825 737385569 /nfs/dbraw/zinc/38/55/69/737385569.db2.gz QQZOSXIWICGRSO-CRAIPNDOSA-N 1 1 343.431 0.167 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972688825 737385571 /nfs/dbraw/zinc/38/55/71/737385571.db2.gz QQZOSXIWICGRSO-CRAIPNDOSA-N 1 1 343.431 0.167 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3cncn3C)C2)C1=O ZINC000972722973 737548549 /nfs/dbraw/zinc/54/85/49/737548549.db2.gz FXPJHCHHIRWSLY-GOEBONIOSA-N 1 1 345.447 0.282 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[NH2+]Cc2cc(=O)n3ccsc3n2)[nH]1 ZINC001125776721 737583662 /nfs/dbraw/zinc/58/36/62/737583662.db2.gz WJMYLHHCLXHWMM-UHFFFAOYSA-N 1 1 342.384 0.475 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([N@H+](C)[C@@H](CC)C(N)=O)C1 ZINC000972757868 737598857 /nfs/dbraw/zinc/59/88/57/737598857.db2.gz WUNNMNIQJUSPFW-ZFWWWQNUSA-N 1 1 344.415 0.504 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccon3)C[C@H]21 ZINC000972835573 737759591 /nfs/dbraw/zinc/75/95/91/737759591.db2.gz YSSPZCFEHJWRHU-VNQPRFMTSA-N 1 1 342.399 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccon3)C[C@H]21 ZINC000972835573 737759593 /nfs/dbraw/zinc/75/95/93/737759593.db2.gz YSSPZCFEHJWRHU-VNQPRFMTSA-N 1 1 342.399 0.445 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)[nH]1 ZINC001125783822 737793690 /nfs/dbraw/zinc/79/36/90/737793690.db2.gz USVZGPHDONTVMP-LBPRGKRZSA-N 1 1 343.391 0.034 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnccn2)C1=O ZINC001024310103 737894336 /nfs/dbraw/zinc/89/43/36/737894336.db2.gz HCVMUAXGCCGOLA-ZBFHGGJFSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnccn2)C1=O ZINC001024310103 737894337 /nfs/dbraw/zinc/89/43/37/737894337.db2.gz HCVMUAXGCCGOLA-ZBFHGGJFSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 ZINC001098586331 737992233 /nfs/dbraw/zinc/99/22/33/737992233.db2.gz CISIGYLVJQZVDG-HNNXBMFYSA-N 1 1 325.453 0.178 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(OCC(N)=O)c1 ZINC001024466694 737997514 /nfs/dbraw/zinc/99/75/14/737997514.db2.gz KNHRXVLNJDRCKF-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1cnnn1C ZINC001024488300 738015492 /nfs/dbraw/zinc/01/54/92/738015492.db2.gz WQWLTWZROGOGGA-RDJZCZTQSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1cnnn1C ZINC001024488300 738015495 /nfs/dbraw/zinc/01/54/95/738015495.db2.gz WQWLTWZROGOGGA-RDJZCZTQSA-N 1 1 344.463 0.383 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O ZINC001024533346 738070493 /nfs/dbraw/zinc/07/04/93/738070493.db2.gz PJJXRYARJVBTPO-BRWVUGGUSA-N 1 1 347.459 0.208 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001024576145 738123236 /nfs/dbraw/zinc/12/32/36/738123236.db2.gz PZWYDRAAGLFAEH-ZDUSSCGKSA-N 1 1 325.376 0.275 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001024576145 738123239 /nfs/dbraw/zinc/12/32/39/738123239.db2.gz PZWYDRAAGLFAEH-ZDUSSCGKSA-N 1 1 325.376 0.275 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@H]21 ZINC001087292115 738133526 /nfs/dbraw/zinc/13/35/26/738133526.db2.gz GTKQTSJBTUTYOV-YUELXQCFSA-N 1 1 333.436 0.373 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C(C)(C)[C@@H]21 ZINC001087293752 738136911 /nfs/dbraw/zinc/13/69/11/738136911.db2.gz JOAXQQFFMYGBGQ-DAXOMENPSA-N 1 1 346.431 0.740 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)CC1 ZINC001098589481 738156567 /nfs/dbraw/zinc/15/65/67/738156567.db2.gz WOUWFONGSIAXJC-GOSISDBHSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCNC(=O)C1 ZINC001087298768 738159375 /nfs/dbraw/zinc/15/93/75/738159375.db2.gz KRZWTQYKQIRSHU-FHLIZLRMSA-N 1 1 348.491 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3ccn4nnnc4c3)C(C)(C)[C@H]21 ZINC001087299166 738160403 /nfs/dbraw/zinc/16/04/03/738160403.db2.gz QTVFXOOZXVZNFC-KBMXLJTQSA-N 1 1 338.415 0.976 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC1 ZINC001024659946 738207746 /nfs/dbraw/zinc/20/77/46/738207746.db2.gz IHBYLVKSHJHHDV-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCC1 ZINC001024659946 738207750 /nfs/dbraw/zinc/20/77/50/738207750.db2.gz IHBYLVKSHJHHDV-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(NC(N)=O)c3)[C@H]2C1 ZINC001083270944 738212771 /nfs/dbraw/zinc/21/27/71/738212771.db2.gz IILXXYWUQBNJCW-LSDHHAIUSA-N 1 1 330.388 0.888 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(NC(N)=O)c3)[C@H]2C1 ZINC001083270944 738212773 /nfs/dbraw/zinc/21/27/73/738212773.db2.gz IILXXYWUQBNJCW-LSDHHAIUSA-N 1 1 330.388 0.888 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087308076 738230067 /nfs/dbraw/zinc/23/00/67/738230067.db2.gz LBTLBZXVQDYGMR-UGFHNGPFSA-N 1 1 334.420 0.329 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnn(C)n2)C1=O ZINC001024706081 738233825 /nfs/dbraw/zinc/23/38/25/738233825.db2.gz RZHOPFOVXGCHMB-DZGCQCFKSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnn(C)n2)C1=O ZINC001024706081 738233828 /nfs/dbraw/zinc/23/38/28/738233828.db2.gz RZHOPFOVXGCHMB-DZGCQCFKSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cccnn2)C1=O ZINC001024729425 738253193 /nfs/dbraw/zinc/25/31/93/738253193.db2.gz OCNJGSHENSVQEQ-GDBMZVCRSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cccnn2)C1=O ZINC001024729425 738253196 /nfs/dbraw/zinc/25/31/96/738253196.db2.gz OCNJGSHENSVQEQ-GDBMZVCRSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001024750610 738267602 /nfs/dbraw/zinc/26/76/02/738267602.db2.gz VSPXNHSMHIQBTO-OAHLLOKOSA-N 1 1 331.420 0.847 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001024750610 738267605 /nfs/dbraw/zinc/26/76/05/738267605.db2.gz VSPXNHSMHIQBTO-OAHLLOKOSA-N 1 1 331.420 0.847 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001024746958 738268041 /nfs/dbraw/zinc/26/80/41/738268041.db2.gz KBYBTNDEZHTHQZ-GJZGRUSLSA-N 1 1 331.420 0.847 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)csc3=O)[C@H]2C1 ZINC001083272131 738281790 /nfs/dbraw/zinc/28/17/90/738281790.db2.gz VMCPOZIOVJGVKH-UONOGXRCSA-N 1 1 337.445 0.706 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2nonc2C)C1=O ZINC001024824916 738325761 /nfs/dbraw/zinc/32/57/61/738325761.db2.gz ALGPQSKWAKZXLD-UONOGXRCSA-N 1 1 347.419 0.749 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2nonc2C)C1=O ZINC001024824916 738325767 /nfs/dbraw/zinc/32/57/67/738325767.db2.gz ALGPQSKWAKZXLD-UONOGXRCSA-N 1 1 347.419 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001025243678 738908602 /nfs/dbraw/zinc/90/86/02/738908602.db2.gz DIPOXGQZAWVHRC-JKSUJKDBSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001025243678 738908604 /nfs/dbraw/zinc/90/86/04/738908604.db2.gz DIPOXGQZAWVHRC-JKSUJKDBSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc(=O)n(C)cn1 ZINC001025243244 738918545 /nfs/dbraw/zinc/91/85/45/738918545.db2.gz MZMJAHMSIKEMMU-JKSUJKDBSA-N 1 1 328.416 0.873 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 ZINC001025246331 738920593 /nfs/dbraw/zinc/92/05/93/738920593.db2.gz VTIBSBRVHXXZST-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCN(CC)C2=O)nn1 ZINC001028187085 751418175 /nfs/dbraw/zinc/41/81/75/751418175.db2.gz BQXYASCFFLPHOX-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCN(CC)C2=O)nn1 ZINC001028187085 751418180 /nfs/dbraw/zinc/41/81/80/751418180.db2.gz BQXYASCFFLPHOX-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4nccn4c3)C2)nn1 ZINC001105359465 751422314 /nfs/dbraw/zinc/42/23/14/751422314.db2.gz ISTQZTPNEFQLJN-UHFFFAOYSA-N 1 1 337.387 0.899 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC001028194594 751438261 /nfs/dbraw/zinc/43/82/61/751438261.db2.gz BPQHLQFPXRRYNH-JYJNAYRXSA-N 1 1 333.436 0.840 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(CCOC)nn2)C1 ZINC001025411765 739431479 /nfs/dbraw/zinc/43/14/79/739431479.db2.gz KEFVPPUDGRLLLG-HUUCEWRRSA-N 1 1 333.436 0.778 20 30 ECEDMO C[C@@H](CNc1ccncc1C#N)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001104728247 739554549 /nfs/dbraw/zinc/55/45/49/739554549.db2.gz LGIAEFMGWQKBMM-LBPRGKRZSA-N 1 1 342.403 0.997 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC23CCN(c2ccc(C#N)nn2)CC3)C1 ZINC001058636948 739557335 /nfs/dbraw/zinc/55/73/35/739557335.db2.gz YFKSRFBZQRKSDH-ZFWWWQNUSA-N 1 1 340.431 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OC ZINC000973625689 739597577 /nfs/dbraw/zinc/59/75/77/739597577.db2.gz VDAVYACHHVLNHP-ZCRFILTFSA-N 1 1 347.459 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OC ZINC000973625689 739597583 /nfs/dbraw/zinc/59/75/83/739597583.db2.gz VDAVYACHHVLNHP-ZCRFILTFSA-N 1 1 347.459 0.757 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)N3CCCCC3=O)[C@H]2C1 ZINC001083282739 739652420 /nfs/dbraw/zinc/65/24/20/739652420.db2.gz QWIVSYGNQQMGDA-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001025545962 739707181 /nfs/dbraw/zinc/70/71/81/739707181.db2.gz NIZFLUALPKTKBM-QWHCGFSZSA-N 1 1 334.420 0.100 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2nc3ncccn3n2)C1 ZINC001025571230 739734452 /nfs/dbraw/zinc/73/44/52/739734452.db2.gz NLDWSNJLJLCYKV-UONOGXRCSA-N 1 1 326.404 0.978 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2nc3ncccn3n2)C1 ZINC001025571549 739734796 /nfs/dbraw/zinc/73/47/96/739734796.db2.gz RHZCCWFQFXFAKN-KBPBESRZSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3CN([C@H](C)COC)C[C@@H]32)CC1 ZINC001083283686 739744193 /nfs/dbraw/zinc/74/41/93/739744193.db2.gz NUTIZWJIVFQCSR-BPQIPLTHSA-N 1 1 349.475 0.278 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025616634 739779757 /nfs/dbraw/zinc/77/97/57/739779757.db2.gz BJCOEKLUZYQCAN-STQMWFEESA-N 1 1 334.420 0.892 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCCN(CC(=O)NC)C2)CC1 ZINC001025629060 739793194 /nfs/dbraw/zinc/79/31/94/739793194.db2.gz ZOYNEQAZXNCWMK-DOTOQJQBSA-N 1 1 348.491 0.294 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000982023290 751486579 /nfs/dbraw/zinc/48/65/79/751486579.db2.gz ALLHTUBKNSHAME-KFWWJZLASA-N 1 1 333.432 0.390 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)C(=O)NC)C2 ZINC000982023667 751487501 /nfs/dbraw/zinc/48/75/01/751487501.db2.gz QPMNHQNYKJCYGO-ZNMIVQPWSA-N 1 1 335.448 0.636 20 30 ECEDMO COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001025704781 739881265 /nfs/dbraw/zinc/88/12/65/739881265.db2.gz CNKOUYABFWZJCT-BTFPBAQTSA-N 1 1 345.424 0.975 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001025789807 739951634 /nfs/dbraw/zinc/95/16/34/739951634.db2.gz JRGDFHMDADUGAD-DOVOEBSNSA-N 1 1 347.459 0.681 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001025814105 739997329 /nfs/dbraw/zinc/99/73/29/739997329.db2.gz UZEBJSLKNXEATL-IECFSIQFSA-N 1 1 331.460 0.700 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C1 ZINC001025847324 740018798 /nfs/dbraw/zinc/01/87/98/740018798.db2.gz KOFHDDGGPRKJAT-YXISZKLHSA-N 1 1 331.460 0.997 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC001068463426 790318452 /nfs/dbraw/zinc/31/84/52/790318452.db2.gz GCDZKYYDBWEEPL-HOTGVXAUSA-N 1 1 347.459 0.283 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[C@H]2C(N)=O)s1 ZINC001025937598 740266175 /nfs/dbraw/zinc/26/61/75/740266175.db2.gz PNHXIPOPWVVGTQ-ZSAUSMIDSA-N 1 1 344.440 0.678 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083287926 740293080 /nfs/dbraw/zinc/29/30/80/740293080.db2.gz FTYIVVODHKCSQV-DLBZAZTESA-N 1 1 343.427 0.816 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C2)C1 ZINC000982055537 751536461 /nfs/dbraw/zinc/53/64/61/751536461.db2.gz CXOFWTDPQRKKNC-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCO[C@H](C)C4)C[C@H]32)nn1 ZINC001026094176 740370245 /nfs/dbraw/zinc/37/02/45/740370245.db2.gz JGPBNQUZHDPOPY-NMNMXBMNSA-N 1 1 345.447 0.939 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000982057899 751538690 /nfs/dbraw/zinc/53/86/90/751538690.db2.gz IOEMWPOODIRKDF-UHFFFAOYSA-N 1 1 330.436 0.744 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncoc2C)C1 ZINC000973929075 740615426 /nfs/dbraw/zinc/61/54/26/740615426.db2.gz PBHNFIGBWCHBAH-MJBXVCDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncoc2C)C1 ZINC000973929075 740615429 /nfs/dbraw/zinc/61/54/29/740615429.db2.gz PBHNFIGBWCHBAH-MJBXVCDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cncc(C)c2)C1 ZINC000973980749 740721340 /nfs/dbraw/zinc/72/13/40/740721340.db2.gz BVCZJRAVELSAEN-BBWFWOEESA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cncc(C)c2)C1 ZINC000973980749 740721343 /nfs/dbraw/zinc/72/13/43/740721343.db2.gz BVCZJRAVELSAEN-BBWFWOEESA-N 1 1 340.427 0.865 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973995220 740747651 /nfs/dbraw/zinc/74/76/51/740747651.db2.gz QNSOAQUKOKTIOC-BETUJISGSA-N 1 1 326.360 0.469 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001078234388 782534884 /nfs/dbraw/zinc/53/48/84/782534884.db2.gz VLPRGVZSHNJOKI-UKRRQHHQSA-N 1 1 330.388 0.630 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974042143 740831582 /nfs/dbraw/zinc/83/15/82/740831582.db2.gz ZUNDKDDHLPRBQE-BETUJISGSA-N 1 1 326.360 0.469 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000974045594 740834914 /nfs/dbraw/zinc/83/49/14/740834914.db2.gz YOQFGTXFXOQCKW-FPMFFAJLSA-N 1 1 329.404 0.605 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000974053821 740854945 /nfs/dbraw/zinc/85/49/45/740854945.db2.gz OMGHXQQBFJQWIM-VNHYZAJKSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c(C)ccn2C)C1 ZINC000974066941 740872699 /nfs/dbraw/zinc/87/26/99/740872699.db2.gz XEHCHQAGBMZFIF-XHSDSOJGSA-N 1 1 342.443 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c(C)ccn2C)C1 ZINC000974066941 740872702 /nfs/dbraw/zinc/87/27/02/740872702.db2.gz XEHCHQAGBMZFIF-XHSDSOJGSA-N 1 1 342.443 0.808 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CCC(O)CC2)C1 ZINC000974077545 740897178 /nfs/dbraw/zinc/89/71/78/740897178.db2.gz GOZDJDXLFFNBSX-FXUHHZDVSA-N 1 1 347.459 0.399 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CCC(O)CC2)C1 ZINC000974077545 740897181 /nfs/dbraw/zinc/89/71/81/740897181.db2.gz GOZDJDXLFFNBSX-FXUHHZDVSA-N 1 1 347.459 0.399 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)nn1 ZINC000974143344 741000058 /nfs/dbraw/zinc/00/00/58/741000058.db2.gz OMZJIBVXWWRISK-BETUJISGSA-N 1 1 343.391 0.046 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000974147185 741004896 /nfs/dbraw/zinc/00/48/96/741004896.db2.gz MBWARRMQHPJUBV-KFWWJZLASA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CC(N)=O)C2)nc1 ZINC001087406193 741158565 /nfs/dbraw/zinc/15/85/65/741158565.db2.gz VEUPONNCLXVOJC-JKQORVJESA-N 1 1 338.411 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC000974263349 741193182 /nfs/dbraw/zinc/19/31/82/741193182.db2.gz QTUVQFKZTFHWSU-RCJHGTSTSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC000974263349 741193183 /nfs/dbraw/zinc/19/31/83/741193183.db2.gz QTUVQFKZTFHWSU-RCJHGTSTSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000974264807 741195936 /nfs/dbraw/zinc/19/59/36/741195936.db2.gz DCAUDVRRLOBMCS-NEMWNAMBSA-N 1 1 345.443 0.415 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000974264807 741195938 /nfs/dbraw/zinc/19/59/38/741195938.db2.gz DCAUDVRRLOBMCS-NEMWNAMBSA-N 1 1 345.443 0.415 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001059857339 751614143 /nfs/dbraw/zinc/61/41/43/751614143.db2.gz ZDIAITZQHCZIGO-YYIAUSFCSA-N 1 1 341.415 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2C)[C@H]1C ZINC001020449073 751624570 /nfs/dbraw/zinc/62/45/70/751624570.db2.gz YOUXJYJYBWVLAL-BPUTZDHNSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2C)[C@H]1C ZINC001020449073 751624574 /nfs/dbraw/zinc/62/45/74/751624574.db2.gz YOUXJYJYBWVLAL-BPUTZDHNSA-N 1 1 343.431 0.535 20 30 ECEDMO CO[C@H](C)C[NH2+]Cc1cn(C2CN(C(=O)C#CC(C)(C)C)C2)nn1 ZINC001105238225 741532142 /nfs/dbraw/zinc/53/21/42/741532142.db2.gz QDFQUPPCYIDPRY-CYBMUJFWSA-N 1 1 333.436 0.835 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243910 741543202 /nfs/dbraw/zinc/54/32/02/741543202.db2.gz LIUKOIHNPHTNLN-JKSUJKDBSA-N 1 1 330.436 0.115 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001026575440 741567918 /nfs/dbraw/zinc/56/79/18/741567918.db2.gz RVBUCCRAIBDEDC-UJJWPFCGSA-N 1 1 348.451 0.708 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3nc4nccc(C)n4n3)C2)C1 ZINC000982138184 751650502 /nfs/dbraw/zinc/65/05/02/751650502.db2.gz XFDSVTLHHSGDKP-UHFFFAOYSA-N 1 1 338.415 0.994 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 ZINC001105256632 741570975 /nfs/dbraw/zinc/57/09/75/741570975.db2.gz LEXCYVVUDUYZCU-AWEZNQCLSA-N 1 1 345.451 0.252 20 30 ECEDMO C#CCC1(C(=O)N2CC(n3cc(C[NH2+]CCOC)nn3)C2)CCC1 ZINC001105259696 741582781 /nfs/dbraw/zinc/58/27/81/741582781.db2.gz IWHNGKJKNWKQOY-UHFFFAOYSA-N 1 1 331.420 0.591 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCCn3ccnn3)C2)nn1 ZINC001105260011 741583117 /nfs/dbraw/zinc/58/31/17/741583117.db2.gz XBPBAPAJQVMNSV-UHFFFAOYSA-N 1 1 344.423 0.399 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCC(NC(=O)Cc3nnc[nH]3)CC2)C1=O ZINC001026590407 741586586 /nfs/dbraw/zinc/58/65/86/741586586.db2.gz MZSQGWACKFIJRV-JXQTWKCFSA-N 1 1 346.435 0.151 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@]3(CC)CCNC3=O)C2)nn1 ZINC001105265063 741603034 /nfs/dbraw/zinc/60/30/34/741603034.db2.gz WOCHMXWQKNNSJA-QGZVFWFLSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cncc(OC)c3C)C2)nn1 ZINC001105271145 741616292 /nfs/dbraw/zinc/61/62/92/741616292.db2.gz YHAMLKAPWVIXRN-UHFFFAOYSA-N 1 1 342.403 0.963 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCc4nccn4C3)C2)nn1 ZINC001105273033 741618339 /nfs/dbraw/zinc/61/83/39/741618339.db2.gz XGFVLCVXSOPELX-CYBMUJFWSA-N 1 1 341.419 0.396 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001105276625 741630068 /nfs/dbraw/zinc/63/00/68/741630068.db2.gz MUWAKEZTHDGEBM-UHFFFAOYSA-N 1 1 344.463 0.956 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H](C)CO3)C2)nn1 ZINC001105285187 741644722 /nfs/dbraw/zinc/64/47/22/741644722.db2.gz HJFIAEOZOAVZMC-CJNGLKHVSA-N 1 1 349.435 0.379 20 30 ECEDMO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)CN3CCOCC3)C2)C1 ZINC000982150772 751657431 /nfs/dbraw/zinc/65/74/31/751657431.db2.gz UUUFSRMDOWKHOT-QGZVFWFLSA-N 1 1 333.476 0.902 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H](C)CN3CCOCC3)C2)C1 ZINC000982150772 751657433 /nfs/dbraw/zinc/65/74/33/751657433.db2.gz UUUFSRMDOWKHOT-QGZVFWFLSA-N 1 1 333.476 0.902 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4cccnc34)C2)nn1 ZINC001105297523 741674879 /nfs/dbraw/zinc/67/48/79/741674879.db2.gz PGKGSBGPQCAYQM-UHFFFAOYSA-N 1 1 338.375 0.294 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001105313642 741740276 /nfs/dbraw/zinc/74/02/76/741740276.db2.gz FXKVARWWVONMLT-UHFFFAOYSA-N 1 1 330.436 0.116 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001058730643 741762606 /nfs/dbraw/zinc/76/26/06/741762606.db2.gz CRHVTLHDVZCTDW-QGZVFWFLSA-N 1 1 336.436 0.731 20 30 ECEDMO C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326783 741803442 /nfs/dbraw/zinc/80/34/42/741803442.db2.gz GFSYHTSJVYMKHU-BBRMVZONSA-N 1 1 332.452 0.525 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326783 741803447 /nfs/dbraw/zinc/80/34/47/741803447.db2.gz GFSYHTSJVYMKHU-BBRMVZONSA-N 1 1 332.452 0.525 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326783 741803453 /nfs/dbraw/zinc/80/34/53/741803453.db2.gz GFSYHTSJVYMKHU-BBRMVZONSA-N 1 1 332.452 0.525 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+][C@H](C)COC)nn2)C1 ZINC001105329991 741833077 /nfs/dbraw/zinc/83/30/77/741833077.db2.gz IXQYPRXKSPTOGU-WQVCFCJDSA-N 1 1 349.435 0.377 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cn3ccc(C)n3)C2)nn1 ZINC001105329983 741833381 /nfs/dbraw/zinc/83/33/81/741833381.db2.gz IKSJLLJFNJRHEB-UHFFFAOYSA-N 1 1 329.408 0.532 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974541103 741874288 /nfs/dbraw/zinc/87/42/88/741874288.db2.gz UDASXMDFWPSTEH-HZPDHXFCSA-N 1 1 341.411 0.973 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974541103 741874296 /nfs/dbraw/zinc/87/42/96/741874296.db2.gz UDASXMDFWPSTEH-HZPDHXFCSA-N 1 1 341.411 0.973 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000974728515 742112104 /nfs/dbraw/zinc/11/21/04/742112104.db2.gz PJHSGQDGFDEOMV-RBSFLKMASA-N 1 1 335.448 0.589 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000974728515 742112107 /nfs/dbraw/zinc/11/21/07/742112107.db2.gz PJHSGQDGFDEOMV-RBSFLKMASA-N 1 1 335.448 0.589 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000974874508 742278843 /nfs/dbraw/zinc/27/88/43/742278843.db2.gz OFVDKOOLPOWONJ-KGLIPLIRSA-N 1 1 343.418 0.802 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3[nH]nnc3C)C(C)(C)C2)C1=O ZINC000974894078 742302171 /nfs/dbraw/zinc/30/21/71/742302171.db2.gz AWGSGUDRLJTKRJ-QWHCGFSZSA-N 1 1 346.435 0.340 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3[nH]nnc3C)C(C)(C)C2)C1=O ZINC000974894078 742302177 /nfs/dbraw/zinc/30/21/77/742302177.db2.gz AWGSGUDRLJTKRJ-QWHCGFSZSA-N 1 1 346.435 0.340 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)C2)nn1 ZINC001105337148 742424353 /nfs/dbraw/zinc/42/43/53/742424353.db2.gz UBNCNMYQIRTFCZ-CHWSQXEVSA-N 1 1 346.435 0.229 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)OC)C[C@@]3(C)C2)C1=O ZINC000982226049 751730526 /nfs/dbraw/zinc/73/05/26/751730526.db2.gz XGQRUETYCVRIEZ-OHQAAIJDSA-N 1 1 349.475 0.979 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000975285591 742670905 /nfs/dbraw/zinc/67/09/05/742670905.db2.gz WQJOJMMOIAJBMP-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)CSC)C1 ZINC000975349228 742742561 /nfs/dbraw/zinc/74/25/61/742742561.db2.gz GDADYHHLUXLXNP-CABCVRRESA-N 1 1 337.489 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)CSC)C1 ZINC000975349228 742742567 /nfs/dbraw/zinc/74/25/67/742742567.db2.gz GDADYHHLUXLXNP-CABCVRRESA-N 1 1 337.489 0.802 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000975363992 742755202 /nfs/dbraw/zinc/75/52/02/742755202.db2.gz XLUVABLOYAJMTP-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000975363992 742755205 /nfs/dbraw/zinc/75/52/05/742755205.db2.gz XLUVABLOYAJMTP-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCN1CC[NH+](C2CCC(NC(=O)C3=NC(=O)N(C)C3)CC2)CC1 ZINC000996789777 742867564 /nfs/dbraw/zinc/86/75/64/742867564.db2.gz ULYSUAJDMBTUDP-UHFFFAOYSA-N 1 1 347.463 0.970 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(Cl)n(C)n2)C1 ZINC000996814957 742909078 /nfs/dbraw/zinc/90/90/78/742909078.db2.gz GODDMHTVJNBWFP-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(Cl)n(C)n2)C1 ZINC000996814957 742909083 /nfs/dbraw/zinc/90/90/83/742909083.db2.gz GODDMHTVJNBWFP-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001028937147 742921812 /nfs/dbraw/zinc/92/18/12/742921812.db2.gz MXXVJXBDMDONKA-CQSZACIVSA-N 1 1 344.415 0.234 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1 ZINC000982255810 751776297 /nfs/dbraw/zinc/77/62/97/751776297.db2.gz KAYHNRMENGINTM-MZPVMMEZSA-N 1 1 329.404 0.544 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1=O ZINC000996971169 743080162 /nfs/dbraw/zinc/08/01/62/743080162.db2.gz CMWVJRJFZLAKEX-CYBMUJFWSA-N 1 1 347.419 0.107 20 30 ECEDMO CCO[C@@H](CC)C(=O)NC[C@H]1C[N@H+](CC#CCOC)CCCO1 ZINC001149310219 743125895 /nfs/dbraw/zinc/12/58/95/743125895.db2.gz MBNKTBJVXQYFMX-HOTGVXAUSA-N 1 1 326.437 0.658 20 30 ECEDMO CCO[C@@H](CC)C(=O)NC[C@H]1C[N@@H+](CC#CCOC)CCCO1 ZINC001149310219 743125900 /nfs/dbraw/zinc/12/59/00/743125900.db2.gz MBNKTBJVXQYFMX-HOTGVXAUSA-N 1 1 326.437 0.658 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nc1 ZINC000997094049 743227235 /nfs/dbraw/zinc/22/72/35/743227235.db2.gz UXPLTTQGHUBUJT-ZDUSSCGKSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](C[NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001027233329 743244104 /nfs/dbraw/zinc/24/41/04/743244104.db2.gz ABLPDZKNUDHWGP-IRXDYDNUSA-N 1 1 333.476 0.806 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](CNCc3cnn(C)n3)C2)CC1 ZINC001027233606 743244118 /nfs/dbraw/zinc/24/41/18/743244118.db2.gz GLMSCLSKSFHIAK-OAHLLOKOSA-N 1 1 344.463 0.098 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](CNCc3nc(C)no3)C2)CC1 ZINC001027233642 743245034 /nfs/dbraw/zinc/24/50/34/743245034.db2.gz GYPCAOSWNLARKT-OAHLLOKOSA-N 1 1 345.447 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000988293959 751809481 /nfs/dbraw/zinc/80/94/81/751809481.db2.gz HRQNBTFDZPQRIB-ZACQAIPSSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000988293959 751809488 /nfs/dbraw/zinc/80/94/88/751809488.db2.gz HRQNBTFDZPQRIB-ZACQAIPSSA-N 1 1 347.459 0.427 20 30 ECEDMO CC(C)(F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083305222 743328420 /nfs/dbraw/zinc/32/84/20/743328420.db2.gz DCYDSYUQQPDZIL-CABCVRRESA-N 1 1 335.379 0.998 20 30 ECEDMO CC(C)(F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083305222 743328429 /nfs/dbraw/zinc/32/84/29/743328429.db2.gz DCYDSYUQQPDZIL-CABCVRRESA-N 1 1 335.379 0.998 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000997244937 743402628 /nfs/dbraw/zinc/40/26/28/743402628.db2.gz CXCKVRSJHJRBGK-KSSFIOAISA-N 1 1 339.439 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCOCC1 ZINC000976055560 743501251 /nfs/dbraw/zinc/50/12/51/743501251.db2.gz XKTABZJKBANZGO-VVLHAWIVSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCOCC1 ZINC000976055560 743501254 /nfs/dbraw/zinc/50/12/54/743501254.db2.gz XKTABZJKBANZGO-VVLHAWIVSA-N 1 1 345.443 0.084 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)CC[N@H+]1C ZINC000988314601 751835303 /nfs/dbraw/zinc/83/53/03/751835303.db2.gz CNHNETYCTAGCSK-BHTHQVBYSA-N 1 1 343.431 0.946 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937409195 743607202 /nfs/dbraw/zinc/60/72/02/743607202.db2.gz BGBXYIDPRVDYED-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO COCCc1nc(C[NH2+]CC2CCN(C(=O)[C@H](C)C#N)CC2)no1 ZINC000997620007 743714838 /nfs/dbraw/zinc/71/48/38/743714838.db2.gz ACILUJVJUNXBNL-GFCCVEGCSA-N 1 1 335.408 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncs1 ZINC000976222332 743724098 /nfs/dbraw/zinc/72/40/98/743724098.db2.gz QNDQNBRDRONSIB-SFDCQRBFSA-N 1 1 344.440 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncs1 ZINC000976222332 743724100 /nfs/dbraw/zinc/72/41/00/743724100.db2.gz QNDQNBRDRONSIB-SFDCQRBFSA-N 1 1 344.440 0.427 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000976273556 743751240 /nfs/dbraw/zinc/75/12/40/743751240.db2.gz OGGKTFFEPVKJFY-OSRDXIQISA-N 1 1 327.388 0.167 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CCN(CC(=O)NC)CC2)CC1 ZINC000997874870 743863086 /nfs/dbraw/zinc/86/30/86/743863086.db2.gz SUXSWDDURBQWEH-HNNXBMFYSA-N 1 1 348.491 0.294 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976360242 743875356 /nfs/dbraw/zinc/87/53/56/743875356.db2.gz AQZUHZAZLDOXGF-CKTDYHTKSA-N 1 1 341.415 0.271 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000976409509 743919779 /nfs/dbraw/zinc/91/97/79/743919779.db2.gz TZNORRUHCQAGIE-YRSMIWHRSA-N 1 1 341.415 0.271 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000998154262 744011070 /nfs/dbraw/zinc/01/10/70/744011070.db2.gz IPSLXBWSWCSIMW-GJZGRUSLSA-N 1 1 341.477 0.357 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC000976538847 744044179 /nfs/dbraw/zinc/04/41/79/744044179.db2.gz ZIVHIUPIMQYWIW-BSLXNSKLSA-N 1 1 327.388 0.025 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000998200141 744046933 /nfs/dbraw/zinc/04/69/33/744046933.db2.gz SUTOUSNMMFMXKO-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC(C[NH2+][C@@H]3CCNC3=O)CC2)CC1 ZINC000998288385 744100957 /nfs/dbraw/zinc/10/09/57/744100957.db2.gz UWTCRFSNYJYGPM-QGZVFWFLSA-N 1 1 346.475 0.048 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC000976581375 744106836 /nfs/dbraw/zinc/10/68/36/744106836.db2.gz GFDOLCHTEWSKNK-ILYVXUQDSA-N 1 1 341.455 0.990 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000976604788 744129729 /nfs/dbraw/zinc/12/97/29/744129729.db2.gz IUCHFHOGVUXVAE-XUWVNRHRSA-N 1 1 347.459 0.636 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000976604788 744129733 /nfs/dbraw/zinc/12/97/33/744129733.db2.gz IUCHFHOGVUXVAE-XUWVNRHRSA-N 1 1 347.459 0.636 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000976609005 744140468 /nfs/dbraw/zinc/14/04/68/744140468.db2.gz YVCMTHAWZOMGHW-XUWVNRHRSA-N 1 1 349.475 0.882 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000976609005 744140470 /nfs/dbraw/zinc/14/04/70/744140470.db2.gz YVCMTHAWZOMGHW-XUWVNRHRSA-N 1 1 349.475 0.882 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cn(C)nn3)C2)C1=O ZINC001027396844 744159283 /nfs/dbraw/zinc/15/92/83/744159283.db2.gz JWXLMONJUCFKRU-DZGCQCFKSA-N 1 1 346.435 0.138 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(C)CC(=C)C1 ZINC001058773474 744204450 /nfs/dbraw/zinc/20/44/50/744204450.db2.gz KSVGGGVULQDPBK-INIZCTEOSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(C)CC(=C)C1 ZINC001058773474 744204454 /nfs/dbraw/zinc/20/44/54/744204454.db2.gz KSVGGGVULQDPBK-INIZCTEOSA-N 1 1 347.459 0.377 20 30 ECEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@]2(C)CN(CC#N)C[C@@]2(C)C1 ZINC000982295670 751901963 /nfs/dbraw/zinc/90/19/63/751901963.db2.gz AEFKQIDYTSYWLT-RYQLBKOJSA-N 1 1 344.463 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C)no3)C[C@H]21 ZINC000976743236 744278806 /nfs/dbraw/zinc/27/88/06/744278806.db2.gz WRMYUCDKWHGNDB-KNCOVGOOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C)no3)C[C@H]21 ZINC000976743236 744278810 /nfs/dbraw/zinc/27/88/10/744278810.db2.gz WRMYUCDKWHGNDB-KNCOVGOOSA-N 1 1 342.399 0.267 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC000998757740 744317645 /nfs/dbraw/zinc/31/76/45/744317645.db2.gz YYTKJKNATAGWTG-ZIAGYGMSSA-N 1 1 339.403 0.903 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cncnc3C)C2)nn1 ZINC001098625616 744434168 /nfs/dbraw/zinc/43/41/68/744434168.db2.gz FSBKYMJQNLJKCP-AWEZNQCLSA-N 1 1 327.392 0.739 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000999318503 744622523 /nfs/dbraw/zinc/62/25/23/744622523.db2.gz VHMQIKDNXRAPCT-INIZCTEOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000999319813 744624019 /nfs/dbraw/zinc/62/40/19/744624019.db2.gz MLWXAJWUFYMIMS-LRDDRELGSA-N 1 1 326.400 0.201 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001027469171 744650680 /nfs/dbraw/zinc/65/06/80/744650680.db2.gz VSLNHCQRBYQWJL-GFCCVEGCSA-N 1 1 327.406 0.649 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CC([NH2+]Cc3nc(C)no3)C2)nn1 ZINC000999523513 744737684 /nfs/dbraw/zinc/73/76/84/744737684.db2.gz KGCIRXANWLZIDE-UHFFFAOYSA-N 1 1 345.407 0.938 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000977224154 744804424 /nfs/dbraw/zinc/80/44/24/744804424.db2.gz BLAQGQVDUKOQDA-ODICJLLRSA-N 1 1 333.432 0.102 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000977311104 744853762 /nfs/dbraw/zinc/85/37/62/744853762.db2.gz QEAVVXALGWYFED-YNAXMUEKSA-N 1 1 348.447 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC000999860593 744954790 /nfs/dbraw/zinc/95/47/90/744954790.db2.gz UZRLUNMBKAYYNX-CYBMUJFWSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000977450256 745006905 /nfs/dbraw/zinc/00/69/05/745006905.db2.gz QIVAFAXMHSSVQM-CQSZACIVSA-N 1 1 347.463 0.784 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cc(Cn3cccn3)on2)C(C)(C)C1 ZINC000977457836 745020581 /nfs/dbraw/zinc/02/05/81/745020581.db2.gz FRJJBGIHIYVBQT-HNNXBMFYSA-N 1 1 327.388 0.993 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cc(Cn3cccn3)on2)C(C)(C)C1 ZINC000977457836 745020585 /nfs/dbraw/zinc/02/05/85/745020585.db2.gz FRJJBGIHIYVBQT-HNNXBMFYSA-N 1 1 327.388 0.993 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1CCC[N@H+]1C ZINC000977477643 745033958 /nfs/dbraw/zinc/03/39/58/745033958.db2.gz DOBNAIGBCMPTRR-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)n1 ZINC001027530452 745079817 /nfs/dbraw/zinc/07/98/17/745079817.db2.gz WUJAKVDIKLQTTQ-OAHLLOKOSA-N 1 1 339.403 0.818 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC(=O)N3)nn2)C1 ZINC000999961119 745102708 /nfs/dbraw/zinc/10/27/08/745102708.db2.gz HBBKZJMUFQVXGL-LSDHHAIUSA-N 1 1 346.435 0.386 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC2(C)C)cn1 ZINC000977520124 745112731 /nfs/dbraw/zinc/11/27/31/745112731.db2.gz BKNVGAJXQOWFJY-HZPDHXFCSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC2(C)C)cn1 ZINC000977520124 745112734 /nfs/dbraw/zinc/11/27/34/745112734.db2.gz BKNVGAJXQOWFJY-HZPDHXFCSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC(=O)N3CCC3)CC2(C)C)cn1 ZINC000977520131 745112766 /nfs/dbraw/zinc/11/27/66/745112766.db2.gz BNPCWGMDKUJSOU-INIZCTEOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(=O)N3CCC3)CC2(C)C)cn1 ZINC000977520131 745112769 /nfs/dbraw/zinc/11/27/69/745112769.db2.gz BNPCWGMDKUJSOU-INIZCTEOSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnnn3C)nn2)C1 ZINC000999980566 745131398 /nfs/dbraw/zinc/13/13/98/745131398.db2.gz FMEJDXSIFOVLGJ-ZDUSSCGKSA-N 1 1 330.396 0.160 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccc3O)nn2)C1 ZINC000999982430 745134218 /nfs/dbraw/zinc/13/42/18/745134218.db2.gz ZMOYDIXOWBXHCR-CQSZACIVSA-N 1 1 340.387 0.579 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccc3O)nn2)C1 ZINC000999982430 745134222 /nfs/dbraw/zinc/13/42/22/745134222.db2.gz ZMOYDIXOWBXHCR-CQSZACIVSA-N 1 1 340.387 0.579 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nccc(C)n3)nn2)C1 ZINC000999985204 745138293 /nfs/dbraw/zinc/13/82/93/745138293.db2.gz PJYYXSDINAULMD-CQSZACIVSA-N 1 1 327.392 0.739 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCOCC3)nn2)C1 ZINC000999985780 745139420 /nfs/dbraw/zinc/13/94/20/745139420.db2.gz PTVWTZFJWAMHHR-ZBFHGGJFSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(C(F)F)n3)nn2)C1 ZINC000999986273 745140014 /nfs/dbraw/zinc/14/00/14/745140014.db2.gz GWBLEGRLYXTBQG-GFCCVEGCSA-N 1 1 349.345 0.680 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3CCC)nn2)C1 ZINC000999987402 745142037 /nfs/dbraw/zinc/14/20/37/745142037.db2.gz NUVBUVNUKULXTA-IRXDYDNUSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)nn2)C1 ZINC000999987402 745142041 /nfs/dbraw/zinc/14/20/41/745142041.db2.gz NUVBUVNUKULXTA-IRXDYDNUSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nn(C)cc3C)nn2)C1 ZINC000999991380 745149512 /nfs/dbraw/zinc/14/95/12/745149512.db2.gz NTDNPGKINSWMJY-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000977530061 745150962 /nfs/dbraw/zinc/15/09/62/745150962.db2.gz OKUTWDOHGVNOLO-ZIAGYGMSSA-N 1 1 329.404 0.511 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCNC3=O)nn2)C1 ZINC000999993431 745152285 /nfs/dbraw/zinc/15/22/85/745152285.db2.gz SWVSGXFDJGWTGT-LSDHHAIUSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncc[nH]3)nn2)C1 ZINC000999993988 745153130 /nfs/dbraw/zinc/15/31/30/745153130.db2.gz YNBFXXAMBVSUFE-LBPRGKRZSA-N 1 1 335.799 0.931 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ncc[nH]3)nn2)C1 ZINC000999993988 745153135 /nfs/dbraw/zinc/15/31/35/745153135.db2.gz YNBFXXAMBVSUFE-LBPRGKRZSA-N 1 1 335.799 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3onc(C)c3C)nn2)C1 ZINC000999998486 745159116 /nfs/dbraw/zinc/15/91/16/745159116.db2.gz SPPFKYGSDGCLCG-AWEZNQCLSA-N 1 1 328.376 0.693 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C(C)C)cn3)nn2)C1 ZINC001000000296 745162417 /nfs/dbraw/zinc/16/24/17/745162417.db2.gz IAHKAVFIYONVPI-HNNXBMFYSA-N 1 1 341.419 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncc4[nH]ccc43)nn2)C1 ZINC001000001555 745164476 /nfs/dbraw/zinc/16/44/76/745164476.db2.gz CWOURJYGRUOQJW-CQSZACIVSA-N 1 1 349.398 0.964 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn4ccnc4c3)nn2)C1 ZINC001000003346 745168262 /nfs/dbraw/zinc/16/82/62/745168262.db2.gz PDRQUZPSXKLVOR-INIZCTEOSA-N 1 1 349.398 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)nn(C)c3C)nn2)C1 ZINC001000003418 745168435 /nfs/dbraw/zinc/16/84/35/745168435.db2.gz YEAMUIPMEJKYFL-HNNXBMFYSA-N 1 1 341.419 0.438 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)c3ccc4c[nH+]cn4c3)nn2)C1 ZINC001000004424 745170730 /nfs/dbraw/zinc/17/07/30/745170730.db2.gz TXHQVCLLGPSORM-QGZVFWFLSA-N 1 1 349.398 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc4ccccn34)nn2)C1 ZINC001000004410 745170853 /nfs/dbraw/zinc/17/08/53/745170853.db2.gz TUVUXZZLHLRDFL-OAHLLOKOSA-N 1 1 349.398 0.736 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(=O)cn3)nn2)C1 ZINC001000016260 745186763 /nfs/dbraw/zinc/18/67/63/745186763.db2.gz SFVROKZKCUPZHU-CYBMUJFWSA-N 1 1 343.391 0.114 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C)nn2)C1 ZINC001000023477 745194734 /nfs/dbraw/zinc/19/47/34/745194734.db2.gz BOJJTLCPDMZSTE-KBMXLJTQSA-N 1 1 331.420 0.589 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)s1 ZINC001006922192 751980393 /nfs/dbraw/zinc/98/03/93/751980393.db2.gz XKGILYZZGXAXBX-BXUZGUMPSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)s1 ZINC001006922192 751980398 /nfs/dbraw/zinc/98/03/98/751980398.db2.gz XKGILYZZGXAXBX-BXUZGUMPSA-N 1 1 332.429 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C(C)C)c3)nn2)C1 ZINC001000033009 745207174 /nfs/dbraw/zinc/20/71/74/745207174.db2.gz BDAPOKLQHXKTRV-MRXNPFEDSA-N 1 1 341.419 0.866 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ncc[nH]4)[C@@H]3C2)C1=O ZINC001075771763 745215260 /nfs/dbraw/zinc/21/52/60/745215260.db2.gz CRRWBFBJQUJGLY-BFHYXJOUSA-N 1 1 329.404 0.343 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(OC)o3)nn2)C1 ZINC001000038274 745217049 /nfs/dbraw/zinc/21/70/49/745217049.db2.gz VBJKFDYNNATOKL-ZDUSSCGKSA-N 1 1 329.360 0.690 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC(=O)N3C)nn2)C1 ZINC001000043372 745224226 /nfs/dbraw/zinc/22/42/26/745224226.db2.gz KERCQXLGIRUNEQ-HUUCEWRRSA-N 1 1 346.435 0.338 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001075774839 745253026 /nfs/dbraw/zinc/25/30/26/745253026.db2.gz SPRIWDYYWVGGEQ-DLBZAZTESA-N 1 1 329.444 0.945 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001075774839 745253030 /nfs/dbraw/zinc/25/30/30/745253030.db2.gz SPRIWDYYWVGGEQ-DLBZAZTESA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001006938218 751989659 /nfs/dbraw/zinc/98/96/59/751989659.db2.gz LORGGHSOOJSABX-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001006938218 751989665 /nfs/dbraw/zinc/98/96/65/751989665.db2.gz LORGGHSOOJSABX-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059235059 745299285 /nfs/dbraw/zinc/29/92/85/745299285.db2.gz HTPPRGHPKWESLB-MGPQQGTHSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059235059 745299291 /nfs/dbraw/zinc/29/92/91/745299291.db2.gz HTPPRGHPKWESLB-MGPQQGTHSA-N 1 1 330.392 0.128 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(CCC)no3)C2)nn1 ZINC001020700576 751990442 /nfs/dbraw/zinc/99/04/42/751990442.db2.gz VNAPGDMFZVVXTC-HAQNSBGRSA-N 1 1 345.407 0.850 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3n[nH]nc3C)C2)nn1 ZINC001098698847 745392441 /nfs/dbraw/zinc/39/24/41/745392441.db2.gz ZHJRNZZNAQTEOX-CYBMUJFWSA-N 1 1 330.396 0.458 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977728205 745446036 /nfs/dbraw/zinc/44/60/36/745446036.db2.gz AFLSMDPKUJDGNS-WFASDCNBSA-N 1 1 329.404 0.511 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977728299 745446183 /nfs/dbraw/zinc/44/61/83/745446183.db2.gz AONLJWVYWZECPM-UONOGXRCSA-N 1 1 329.404 0.511 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000977799818 745520254 /nfs/dbraw/zinc/52/02/54/745520254.db2.gz DRURVKUNCPZILM-UHOFOFEASA-N 1 1 343.431 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3ccnn3C)CC2)C1=O ZINC001000505681 745553070 /nfs/dbraw/zinc/55/30/70/745553070.db2.gz NCIQLBSCAWPHRG-MRXNPFEDSA-N 1 1 343.431 0.569 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC001000561502 745596081 /nfs/dbraw/zinc/59/60/81/745596081.db2.gz XCYRZZFAJDBGSO-UHFFFAOYSA-N 1 1 341.415 0.871 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC001000561502 745596083 /nfs/dbraw/zinc/59/60/83/745596083.db2.gz XCYRZZFAJDBGSO-UHFFFAOYSA-N 1 1 341.415 0.871 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2CC=C(CNC(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC001000564036 745599623 /nfs/dbraw/zinc/59/96/23/745599623.db2.gz PHVFHZWXRVEQGB-MRXNPFEDSA-N 1 1 341.415 0.869 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCCC2)nc1 ZINC001028269706 752020030 /nfs/dbraw/zinc/02/00/30/752020030.db2.gz ULBXWJQXQZZTFW-MRXNPFEDSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)nc1 ZINC001028269706 752020034 /nfs/dbraw/zinc/02/00/34/752020034.db2.gz ULBXWJQXQZZTFW-MRXNPFEDSA-N 1 1 340.427 0.880 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001028269941 752020495 /nfs/dbraw/zinc/02/04/95/752020495.db2.gz BYTWCBFWXLHSCL-ZFWWWQNUSA-N 1 1 342.399 0.176 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001028269941 752020504 /nfs/dbraw/zinc/02/05/04/752020504.db2.gz BYTWCBFWXLHSCL-ZFWWWQNUSA-N 1 1 342.399 0.176 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccnc(C#N)n1 ZINC001126517334 745629267 /nfs/dbraw/zinc/62/92/67/745629267.db2.gz CPYDISMOCQPRJU-AWEZNQCLSA-N 1 1 346.435 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccsn1 ZINC000977916728 745643227 /nfs/dbraw/zinc/64/32/27/745643227.db2.gz GGVYDWOZXHWWDW-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccsn1 ZINC000977916728 745643228 /nfs/dbraw/zinc/64/32/28/745643228.db2.gz GGVYDWOZXHWWDW-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(F)c[nH]1 ZINC000977921332 745650226 /nfs/dbraw/zinc/65/02/26/745650226.db2.gz RPZWOUJOYUQIEK-ZBFHGGJFSA-N 1 1 346.406 0.924 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(F)c[nH]1 ZINC000977921332 745650228 /nfs/dbraw/zinc/65/02/28/745650228.db2.gz RPZWOUJOYUQIEK-ZBFHGGJFSA-N 1 1 346.406 0.924 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nncs3)C2)nn1 ZINC001020714506 752018012 /nfs/dbraw/zinc/01/80/12/752018012.db2.gz RTBDQSOULYEFKY-XYPYZODXSA-N 1 1 333.421 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1[nH]cnc1C ZINC000977915172 745668772 /nfs/dbraw/zinc/66/87/72/745668772.db2.gz BDQVJXOYRFERAR-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1[nH]cnc1C ZINC000977915172 745668776 /nfs/dbraw/zinc/66/87/76/745668776.db2.gz BDQVJXOYRFERAR-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CCOCC2)C1 ZINC001000653411 745670609 /nfs/dbraw/zinc/67/06/09/745670609.db2.gz ZULKICAZRATDEH-INIZCTEOSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CCOCC2)C1 ZINC001000653411 745670611 /nfs/dbraw/zinc/67/06/11/745670611.db2.gz ZULKICAZRATDEH-INIZCTEOSA-N 1 1 333.432 0.085 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](CC)C(N)=O ZINC001029312141 745680262 /nfs/dbraw/zinc/68/02/62/745680262.db2.gz RXXYQFQPQGQGIW-JKJDWNRSSA-N 1 1 335.448 0.907 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CC)C(N)=O ZINC001029312141 745680265 /nfs/dbraw/zinc/68/02/65/745680265.db2.gz RXXYQFQPQGQGIW-JKJDWNRSSA-N 1 1 335.448 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cncnc1 ZINC000977928091 745682528 /nfs/dbraw/zinc/68/25/28/745682528.db2.gz MHWFHQPRLXXIFN-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cncnc1 ZINC000977928091 745682532 /nfs/dbraw/zinc/68/25/32/745682532.db2.gz MHWFHQPRLXXIFN-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)nc1 ZINC001000731348 745731235 /nfs/dbraw/zinc/73/12/35/745731235.db2.gz CGBWNULUFJAZBW-TZMCWYRMSA-N 1 1 339.403 0.542 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1cnc(C#N)cn1 ZINC001126524182 745737638 /nfs/dbraw/zinc/73/76/38/745737638.db2.gz RWMFDLBHENJNLY-DZGCQCFKSA-N 1 1 346.435 0.115 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001000746849 745739289 /nfs/dbraw/zinc/73/92/89/745739289.db2.gz KRGXTUNYPLODQE-MRXNPFEDSA-N 1 1 335.448 0.806 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccnc(C#N)n1 ZINC001126524737 745743934 /nfs/dbraw/zinc/74/39/34/745743934.db2.gz YJOOJGHEFACQHO-KBPBESRZSA-N 1 1 346.435 0.115 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cncn1C ZINC001029342500 745759120 /nfs/dbraw/zinc/75/91/20/745759120.db2.gz RIOQBPBDFVLZGY-JZXOWHBKSA-N 1 1 341.459 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cncn1C ZINC001029342500 745759125 /nfs/dbraw/zinc/75/91/25/745759125.db2.gz RIOQBPBDFVLZGY-JZXOWHBKSA-N 1 1 341.459 0.693 20 30 ECEDMO N#Cc1cncc(N[C@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC001058939099 752036628 /nfs/dbraw/zinc/03/66/28/752036628.db2.gz ZBWDQWSTTVRWPM-GUYCJALGSA-N 1 1 326.404 0.847 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C[C@@]2(C)C1 ZINC000982353773 752036851 /nfs/dbraw/zinc/03/68/51/752036851.db2.gz XSOOUWPBYAOTDD-JCGIZDLHSA-N 1 1 332.448 0.581 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC000978056166 745835948 /nfs/dbraw/zinc/83/59/48/745835948.db2.gz GEUIPBQWJKWKJN-JONQDZQNSA-N 1 1 341.415 0.415 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4n[nH]cc4C)[C@@H]3C2)C1=O ZINC000978118897 745929082 /nfs/dbraw/zinc/92/90/82/745929082.db2.gz RARZRHGOGGUNAN-APIJFGDWSA-N 1 1 343.431 0.413 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001000995654 745960757 /nfs/dbraw/zinc/96/07/57/745960757.db2.gz NHALSLPDXLZRHX-HNNXBMFYSA-N 1 1 329.404 0.690 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3cnco3)CC2)C1=O ZINC001001014227 745979772 /nfs/dbraw/zinc/97/97/72/745979772.db2.gz GRSJLEIVWCFRMO-CQSZACIVSA-N 1 1 330.388 0.823 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccncc1C#N ZINC001126538364 745994269 /nfs/dbraw/zinc/99/42/69/745994269.db2.gz PEKHGFXWVNCEAD-GDBMZVCRSA-N 1 1 345.447 0.862 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001059337571 746007524 /nfs/dbraw/zinc/00/75/24/746007524.db2.gz LCBQUBFTUBMRMC-HNNXBMFYSA-N 1 1 325.453 0.886 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059338017 746012890 /nfs/dbraw/zinc/01/28/90/746012890.db2.gz WHFBWBJWDPOEDU-BZUAXINKSA-N 1 1 337.464 0.884 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(C#N)nn1 ZINC001126539178 746023339 /nfs/dbraw/zinc/02/33/39/746023339.db2.gz ZRCPYVMTLAZCGD-UKRRQHHQSA-N 1 1 346.435 0.257 20 30 ECEDMO Cn1nnc(C(=O)NCC2=CC[N@H+](CC#Cc3ccccc3)CC2)n1 ZINC001001057110 746024077 /nfs/dbraw/zinc/02/40/77/746024077.db2.gz CFORJMHAJRERMU-UHFFFAOYSA-N 1 1 336.399 0.624 20 30 ECEDMO Cn1nnc(C(=O)NCC2=CC[N@@H+](CC#Cc3ccccc3)CC2)n1 ZINC001001057110 746024081 /nfs/dbraw/zinc/02/40/81/746024081.db2.gz CFORJMHAJRERMU-UHFFFAOYSA-N 1 1 336.399 0.624 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000978209616 746044094 /nfs/dbraw/zinc/04/40/94/746044094.db2.gz LPYPPWRXALSOEJ-NRKLIOEPSA-N 1 1 345.443 0.036 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000978209616 746044102 /nfs/dbraw/zinc/04/41/02/746044102.db2.gz LPYPPWRXALSOEJ-NRKLIOEPSA-N 1 1 345.443 0.036 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(-c4cccnc4)nn3)[C@@H]2C1 ZINC000978249438 746081869 /nfs/dbraw/zinc/08/18/69/746081869.db2.gz STFICFRKFACVHS-PHZGNYQRSA-N 1 1 336.399 0.593 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)oc4nc[nH]c(=O)c43)[C@@H]2C1 ZINC000978270095 746119354 /nfs/dbraw/zinc/11/93/54/746119354.db2.gz LSQQZEPHVWJAGL-CNDDSTCGSA-N 1 1 326.356 0.778 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)[C@@H]1C ZINC001088575767 752062888 /nfs/dbraw/zinc/06/28/88/752062888.db2.gz FUMGAXBHEAATHT-OJLVUWQFSA-N 1 1 335.448 0.825 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)[C@@H]1C ZINC001088575767 752062897 /nfs/dbraw/zinc/06/28/97/752062897.db2.gz FUMGAXBHEAATHT-OJLVUWQFSA-N 1 1 335.448 0.825 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H](C)C(=O)N(C)C)CC1 ZINC001001171062 746133757 /nfs/dbraw/zinc/13/37/57/746133757.db2.gz IBBRQLBFZOMEJI-BMFZPTHFSA-N 1 1 335.448 0.803 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1CC ZINC001087629055 746139225 /nfs/dbraw/zinc/13/92/25/746139225.db2.gz ZMUWKYKDESSBHT-NWDGAFQWSA-N 1 1 325.390 0.143 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](CC(=O)N2CCC2)CC1 ZINC001001253755 746211657 /nfs/dbraw/zinc/21/16/57/746211657.db2.gz BHTKIQWAERMMRB-WMZOPIPTSA-N 1 1 347.459 0.948 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001001253755 746211659 /nfs/dbraw/zinc/21/16/59/746211659.db2.gz BHTKIQWAERMMRB-WMZOPIPTSA-N 1 1 347.459 0.948 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 ZINC000978332196 746212412 /nfs/dbraw/zinc/21/24/12/746212412.db2.gz HMJCYOUODQUBND-LBELIVKGSA-N 1 1 334.338 0.813 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@H](CC)C(N)=O)CC1 ZINC001001255653 746214458 /nfs/dbraw/zinc/21/44/58/746214458.db2.gz CSLCIRBNHIRVGK-XHSDSOJGSA-N 1 1 335.448 0.980 20 30 ECEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cn[nH]n4)[C@@H]3C2)ccc1F ZINC000978370656 746233899 /nfs/dbraw/zinc/23/38/99/746233899.db2.gz GKANPFUPMWYUNW-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO N#Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn[nH]4)[C@@H]3C2)ccc1F ZINC000978370656 746233900 /nfs/dbraw/zinc/23/39/00/746233900.db2.gz GKANPFUPMWYUNW-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn[nH]4)[C@@H]3C2)ccc1F ZINC000978370656 746233903 /nfs/dbraw/zinc/23/39/03/746233903.db2.gz GKANPFUPMWYUNW-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001358054 746305040 /nfs/dbraw/zinc/30/50/40/746305040.db2.gz URUOWZPDXHCACS-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(Br)C[NH+]1CCC(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001001364566 746310417 /nfs/dbraw/zinc/31/04/17/746310417.db2.gz APIJSCIEZBAVTR-NSHDSACASA-N 1 1 346.225 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@H](CC)C(N)=O)CC2)cn1 ZINC001001382615 746328910 /nfs/dbraw/zinc/32/89/10/746328910.db2.gz YQWTWNIRDZSRKC-MRXNPFEDSA-N 1 1 326.400 0.689 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CCC(O)CC3)[C@@H](O)C2)cc1 ZINC001083435265 752083978 /nfs/dbraw/zinc/08/39/78/752083978.db2.gz LBDQEWFSHHVPMT-HIEASXQVSA-N 1 1 343.427 0.771 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3CCC(O)CC3)[C@@H](O)C2)cc1 ZINC001083435265 752083983 /nfs/dbraw/zinc/08/39/83/752083983.db2.gz LBDQEWFSHHVPMT-HIEASXQVSA-N 1 1 343.427 0.771 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)c1cnc(C#N)cn1 ZINC001126549556 746365039 /nfs/dbraw/zinc/36/50/39/746365039.db2.gz SPKYZDYMKALKEM-OAHLLOKOSA-N 1 1 346.435 0.402 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001001509047 746447417 /nfs/dbraw/zinc/44/74/17/746447417.db2.gz MISUKFKJQMJIPS-UHFFFAOYSA-N 1 1 343.431 0.806 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)cc1 ZINC000978573503 746452037 /nfs/dbraw/zinc/45/20/37/746452037.db2.gz ONQKGEKFBVATMN-NXOAAHMSSA-N 1 1 325.412 0.839 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)C1=O ZINC001027644824 746499079 /nfs/dbraw/zinc/49/90/79/746499079.db2.gz LUGXTJDGIGPDNK-KGLIPLIRSA-N 1 1 346.435 0.057 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@H]1CC ZINC001087850364 746499526 /nfs/dbraw/zinc/49/95/26/746499526.db2.gz ASCVPVGBLDRAFE-GRYCIOLGSA-N 1 1 327.812 0.761 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@H]1CC ZINC001087850364 746499529 /nfs/dbraw/zinc/49/95/29/746499529.db2.gz ASCVPVGBLDRAFE-GRYCIOLGSA-N 1 1 327.812 0.761 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@H]2CCCN(C(=O)C3(C)CC3)C2)C1=O ZINC001087854426 746506950 /nfs/dbraw/zinc/50/69/50/746506950.db2.gz HFVBQOUYIJEQJH-HOTGVXAUSA-N 1 1 349.475 0.859 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3C3CCCC3)[C@@H]2C1 ZINC000978638766 746530424 /nfs/dbraw/zinc/53/04/24/746530424.db2.gz MTNLSKVPTKGQOY-OKYOBFRVSA-N 1 1 345.487 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ncoc1C ZINC001075824424 746540282 /nfs/dbraw/zinc/54/02/82/746540282.db2.gz XXKZNGXXDGHABL-JSGCOSHPSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ncoc1C ZINC001075824424 746540286 /nfs/dbraw/zinc/54/02/86/746540286.db2.gz XXKZNGXXDGHABL-JSGCOSHPSA-N 1 1 332.404 0.705 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4n[nH]cc4F)[C@@H]3C2)C1=O ZINC000978671175 746565690 /nfs/dbraw/zinc/56/56/90/746565690.db2.gz AKUUFXLDMMKAQI-FMSGJZPZSA-N 1 1 347.394 0.243 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978674751 746570937 /nfs/dbraw/zinc/57/09/37/746570937.db2.gz OGFZFNDDCPQHLH-LVQVYYBASA-N 1 1 339.399 0.034 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000978687624 746599271 /nfs/dbraw/zinc/59/92/71/746599271.db2.gz YXRKEMKQKWKOSY-ZNMIVQPWSA-N 1 1 335.448 0.684 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000978687624 746599272 /nfs/dbraw/zinc/59/92/72/746599272.db2.gz YXRKEMKQKWKOSY-ZNMIVQPWSA-N 1 1 335.448 0.684 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC000978719420 746619573 /nfs/dbraw/zinc/61/95/73/746619573.db2.gz QEITZGWHWWOUKL-SUJAAXHWSA-N 1 1 328.416 0.862 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC000978719420 746619576 /nfs/dbraw/zinc/61/95/76/746619576.db2.gz QEITZGWHWWOUKL-SUJAAXHWSA-N 1 1 328.416 0.862 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]21 ZINC000978714853 746628791 /nfs/dbraw/zinc/62/87/91/746628791.db2.gz HCIMVBBUGOJPJN-MTSZKFMLSA-N 1 1 330.432 0.805 20 30 ECEDMO COCCN(CCNC(=O)CCc1cnc[nH]1)c1cncc(C#N)n1 ZINC001126561148 746702751 /nfs/dbraw/zinc/70/27/51/746702751.db2.gz CYQVIKVWSJEWKK-UHFFFAOYSA-N 1 1 343.391 0.273 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC[C@H]4CCCO4)C[C@H]32)nn1 ZINC000978816035 746742127 /nfs/dbraw/zinc/74/21/27/746742127.db2.gz KSOKPJKKMUKQTN-FPCVCCKLSA-N 1 1 345.447 0.941 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@H]4CCCOC4)C[C@H]32)nn1 ZINC000978817061 746743264 /nfs/dbraw/zinc/74/32/64/746743264.db2.gz MREUXYSMNZBDHO-FPCVCCKLSA-N 1 1 345.447 0.798 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@@H]2C1 ZINC001087962824 746755404 /nfs/dbraw/zinc/75/54/04/746755404.db2.gz LMLHEGUFTLRNQS-CABCVRRESA-N 1 1 333.436 0.895 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]2C1 ZINC001087967995 746761122 /nfs/dbraw/zinc/76/11/22/746761122.db2.gz VRVZMBBNPFRADL-KGLIPLIRSA-N 1 1 331.416 0.185 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]2C1 ZINC001087978260 746776157 /nfs/dbraw/zinc/77/61/57/746776157.db2.gz SUTHBDZDANOESX-CABCVRRESA-N 1 1 344.463 0.774 20 30 ECEDMO CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001001903187 746795383 /nfs/dbraw/zinc/79/53/83/746795383.db2.gz ABBNKZDSHFUQHS-OAHLLOKOSA-N 1 1 326.462 0.663 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](N(C)[C@@H](C)C(N)=O)C2)CC1 ZINC001027694427 746862835 /nfs/dbraw/zinc/86/28/35/746862835.db2.gz YEIRXVCXDYUVKN-GOEBONIOSA-N 1 1 334.464 0.128 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@@H]2C1 ZINC000978939410 746919032 /nfs/dbraw/zinc/91/90/32/746919032.db2.gz GZHVYASAKREOEW-RTCCRHLQSA-N 1 1 334.376 0.380 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]2C1 ZINC001087995279 746959700 /nfs/dbraw/zinc/95/97/00/746959700.db2.gz CRTQKQCENLSKSG-KGLIPLIRSA-N 1 1 341.839 0.378 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]2C1 ZINC001087995279 746959705 /nfs/dbraw/zinc/95/97/05/746959705.db2.gz CRTQKQCENLSKSG-KGLIPLIRSA-N 1 1 341.839 0.378 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001002095275 746971026 /nfs/dbraw/zinc/97/10/26/746971026.db2.gz GFHXGKRALLDPSN-OAHLLOKOSA-N 1 1 343.855 0.814 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1 ZINC000978976347 746983564 /nfs/dbraw/zinc/98/35/64/746983564.db2.gz YBLJBZWNKRXLHJ-QKDCVEJESA-N 1 1 331.420 0.723 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)CSC ZINC001002118142 746996567 /nfs/dbraw/zinc/99/65/67/746996567.db2.gz JKYFKTQQDLBJTE-CABCVRRESA-N 1 1 337.489 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)CSC ZINC001002118142 746996574 /nfs/dbraw/zinc/99/65/74/746996574.db2.gz JKYFKTQQDLBJTE-CABCVRRESA-N 1 1 337.489 0.896 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCc4cnn(C)c4)C[C@H]32)nc1 ZINC000978992587 747005128 /nfs/dbraw/zinc/00/51/28/747005128.db2.gz PAYLJVNPACDGOP-NNZMDNLPSA-N 1 1 349.438 0.947 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002125368 747006252 /nfs/dbraw/zinc/00/62/52/747006252.db2.gz JJQIWNQALOAPBB-DLBZAZTESA-N 1 1 348.491 0.553 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002125368 747006254 /nfs/dbraw/zinc/00/62/54/747006254.db2.gz JJQIWNQALOAPBB-DLBZAZTESA-N 1 1 348.491 0.553 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978999480 747022825 /nfs/dbraw/zinc/02/28/25/747022825.db2.gz ZONZNTZEEDSYRH-BJJXKVORSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001002152868 747031942 /nfs/dbraw/zinc/03/19/42/747031942.db2.gz RBBDVTMRIKOZCD-AWEZNQCLSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001002152868 747031949 /nfs/dbraw/zinc/03/19/49/747031949.db2.gz RBBDVTMRIKOZCD-AWEZNQCLSA-N 1 1 329.404 0.004 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)cn1 ZINC000979013962 747058980 /nfs/dbraw/zinc/05/89/80/747058980.db2.gz GPFTXMWSBBOUME-WCXIOVBPSA-N 1 1 338.411 0.249 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cnnn4)cc3)[C@@H]2C1 ZINC000979043824 747074038 /nfs/dbraw/zinc/07/40/38/747074038.db2.gz KDZCCTIZDMFEEH-OSYLJGHBSA-N 1 1 336.399 0.593 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc4nccc(C)n4n3)[C@@H]2C1 ZINC000979029927 747077161 /nfs/dbraw/zinc/07/71/61/747077161.db2.gz UBUFBKSGXIHPTP-ZSOGYDGISA-N 1 1 326.404 0.916 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001002232370 747108644 /nfs/dbraw/zinc/10/86/44/747108644.db2.gz CRVVNSKAKQPFMY-OIISXLGYSA-N 1 1 349.475 0.884 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(CNC(N)=O)cc3)[C@@H]2C1 ZINC000979047425 747115105 /nfs/dbraw/zinc/11/51/05/747115105.db2.gz NJNGYTFHCHNFDE-OSYLJGHBSA-N 1 1 340.427 0.786 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001059461321 747127220 /nfs/dbraw/zinc/12/72/20/747127220.db2.gz BTFWYTQNHWJTIA-FMKGYKFTSA-N 1 1 330.392 0.126 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001059461321 747127228 /nfs/dbraw/zinc/12/72/28/747127228.db2.gz BTFWYTQNHWJTIA-FMKGYKFTSA-N 1 1 330.392 0.126 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@@H]2C1 ZINC001088042519 747133140 /nfs/dbraw/zinc/13/31/40/747133140.db2.gz TWYYYYPKIGJWNA-KGLIPLIRSA-N 1 1 329.400 0.801 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@@H]2C1 ZINC001088049230 747144227 /nfs/dbraw/zinc/14/42/27/747144227.db2.gz YEQHTKQNYWPXOR-YCPHGPKFSA-N 1 1 343.431 0.722 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@@H]2C1 ZINC001088053076 747159539 /nfs/dbraw/zinc/15/95/39/747159539.db2.gz SXBFEGYBKZLNHV-QYZOEREBSA-N 1 1 345.487 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@@H]2C1 ZINC001088053482 747161403 /nfs/dbraw/zinc/16/14/03/747161403.db2.gz JYAPDSVIKUZTPM-QLFBSQMISA-N 1 1 341.402 0.366 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001002302741 747194111 /nfs/dbraw/zinc/19/41/11/747194111.db2.gz GUDFSEXGKSDARB-UHFFFAOYSA-N 1 1 325.376 0.326 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc4c3nnn4C)C[C@@H]2C1 ZINC001088082683 747285042 /nfs/dbraw/zinc/28/50/42/747285042.db2.gz FTRRNMWQHPXMFD-OLZOCXBDSA-N 1 1 326.404 0.943 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001002409429 747312300 /nfs/dbraw/zinc/31/23/00/747312300.db2.gz OMGCOCIXFFDWJJ-JKSUJKDBSA-N 1 1 347.459 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C)on2)C1=O ZINC001027742416 747322628 /nfs/dbraw/zinc/32/26/28/747322628.db2.gz PDLNKDZMVYICRZ-ZFWWWQNUSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C)on2)C1=O ZINC001027742416 747322632 /nfs/dbraw/zinc/32/26/32/747322632.db2.gz PDLNKDZMVYICRZ-ZFWWWQNUSA-N 1 1 332.404 0.964 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2nccs2)C1 ZINC000979190735 747336447 /nfs/dbraw/zinc/33/64/47/747336447.db2.gz GMYQWNUXYXREKR-MJBXVCDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2nccs2)C1 ZINC000979190735 747336452 /nfs/dbraw/zinc/33/64/52/747336452.db2.gz GMYQWNUXYXREKR-MJBXVCDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001002473357 747402514 /nfs/dbraw/zinc/40/25/14/747402514.db2.gz DZAFRJCQOAUAOM-CVEARBPZSA-N 1 1 334.464 0.448 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001002473357 747402518 /nfs/dbraw/zinc/40/25/18/747402518.db2.gz DZAFRJCQOAUAOM-CVEARBPZSA-N 1 1 334.464 0.448 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CCCC3)C2)C1=O ZINC000985123784 747410611 /nfs/dbraw/zinc/41/06/11/747410611.db2.gz QTWPARNESKYUKL-BZUAXINKSA-N 1 1 334.464 0.354 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC001002515013 747454636 /nfs/dbraw/zinc/45/46/36/747454636.db2.gz FRZPYYAVTWVEAF-LSDHHAIUSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)COC)CC[C@@H]3C2)nn1 ZINC001088133317 747461306 /nfs/dbraw/zinc/46/13/06/747461306.db2.gz BGDFKCYFKFEPHL-KFWWJZLASA-N 1 1 333.436 0.893 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncnn1C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979266791 747468404 /nfs/dbraw/zinc/46/84/04/747468404.db2.gz IQLSRPBBMIXCPU-BXUZGUMPSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@H]([NH2+]Cc1cn(C)nn1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979267177 747469529 /nfs/dbraw/zinc/46/95/29/747469529.db2.gz JFZXCWPUWTZWHY-XHDPSFHLSA-N 1 1 343.391 0.034 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 ZINC001088140029 747487242 /nfs/dbraw/zinc/48/72/42/747487242.db2.gz PVRJAVPJKATRFD-HIFRSBDPSA-N 1 1 333.432 0.786 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088163425 747559421 /nfs/dbraw/zinc/55/94/21/747559421.db2.gz OLJKHJSVLNNBAN-OAGGEKHMSA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088163425 747559427 /nfs/dbraw/zinc/55/94/27/747559427.db2.gz OLJKHJSVLNNBAN-OAGGEKHMSA-N 1 1 338.473 0.615 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001002615007 747575379 /nfs/dbraw/zinc/57/53/79/747575379.db2.gz BVHOEZAWKSHXSN-OAHLLOKOSA-N 1 1 330.432 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cocn1 ZINC001002642771 747607131 /nfs/dbraw/zinc/60/71/31/747607131.db2.gz UVHIQEBDYQMMAG-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cocn1 ZINC001002642771 747607134 /nfs/dbraw/zinc/60/71/34/747607134.db2.gz UVHIQEBDYQMMAG-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1cnon1 ZINC001002643534 747608703 /nfs/dbraw/zinc/60/87/03/747608703.db2.gz WYXWUUYQLLXMRT-ZFWWWQNUSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1cnon1 ZINC001002643534 747608706 /nfs/dbraw/zinc/60/87/06/747608706.db2.gz WYXWUUYQLLXMRT-ZFWWWQNUSA-N 1 1 345.403 0.230 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCOC3)CC2)C1=O ZINC000985315738 747684855 /nfs/dbraw/zinc/68/48/55/747684855.db2.gz CYWVFSUMUXVICI-GOEBONIOSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CCOC)c3)C[C@@H]2C1 ZINC001088185051 747696258 /nfs/dbraw/zinc/69/62/58/747696258.db2.gz DQTQERQHTHXKHJ-WBVHZDCISA-N 1 1 330.432 0.947 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CCOC)c3)C[C@@H]2C1 ZINC001088185223 747696586 /nfs/dbraw/zinc/69/65/86/747696586.db2.gz NCFYWGDJCLCTEW-WBVHZDCISA-N 1 1 330.432 0.947 20 30 ECEDMO N#Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)ccc1F ZINC001002723197 747700725 /nfs/dbraw/zinc/70/07/25/747700725.db2.gz RDBGCQHQCNUSCY-OAHLLOKOSA-N 1 1 346.362 0.886 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC001088190883 747702002 /nfs/dbraw/zinc/70/20/02/747702002.db2.gz XYBXUVPQMPMEGX-OLZOCXBDSA-N 1 1 334.420 0.283 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CCN(C(N)=O)CC3)C[C@@H]2C1 ZINC001088195344 747716678 /nfs/dbraw/zinc/71/66/78/747716678.db2.gz ZLPQAYYSFHLYRK-CVEARBPZSA-N 1 1 332.448 0.581 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000985332770 747735113 /nfs/dbraw/zinc/73/51/13/747735113.db2.gz SRLFGGVYYFZFSH-LBPRGKRZSA-N 1 1 349.435 0.399 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001088202274 747735726 /nfs/dbraw/zinc/73/57/26/747735726.db2.gz SFTUCKMODUOPRB-KURKYZTESA-N 1 1 333.476 0.758 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001088202274 747735727 /nfs/dbraw/zinc/73/57/27/747735727.db2.gz SFTUCKMODUOPRB-KURKYZTESA-N 1 1 333.476 0.758 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)CC2CCS(=O)(=O)CC2)CC1 ZINC000985338937 747739774 /nfs/dbraw/zinc/73/97/74/747739774.db2.gz NSQJRDQXNJSCQQ-CYBMUJFWSA-N 1 1 341.477 0.894 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985343049 747757782 /nfs/dbraw/zinc/75/77/82/747757782.db2.gz YMJVVPVRKQHUNJ-UHFFFAOYSA-N 1 1 332.379 0.996 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]2C1 ZINC001088224689 747770700 /nfs/dbraw/zinc/77/07/00/747770700.db2.gz KBNNSIUZGHCYBK-CABCVRRESA-N 1 1 326.400 0.598 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001088226818 747774239 /nfs/dbraw/zinc/77/42/39/747774239.db2.gz XLGKLCFMEHVZGW-INIZCTEOSA-N 1 1 346.435 0.026 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](OCC2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001088231329 747791299 /nfs/dbraw/zinc/79/12/99/747791299.db2.gz OPPCDFVLGCACRK-CQSZACIVSA-N 1 1 343.855 0.944 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001088231329 747791301 /nfs/dbraw/zinc/79/13/01/747791301.db2.gz OPPCDFVLGCACRK-CQSZACIVSA-N 1 1 343.855 0.944 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC(CO[C@@H]3CC[N@H+](CCO)C3)CC2)[nH]1 ZINC001088231621 747792389 /nfs/dbraw/zinc/79/23/89/747792389.db2.gz WEHVZNANBJJRAW-MRXNPFEDSA-N 1 1 346.431 0.822 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnn(C)c2C)C1 ZINC001002828415 747844102 /nfs/dbraw/zinc/84/41/02/747844102.db2.gz DSHBNJJXZWUTQL-INIZCTEOSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnn(C)c2C)C1 ZINC001002828415 747844109 /nfs/dbraw/zinc/84/41/09/747844109.db2.gz DSHBNJJXZWUTQL-INIZCTEOSA-N 1 1 343.431 0.014 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001088237648 747847090 /nfs/dbraw/zinc/84/70/90/747847090.db2.gz ZLCBEXDFDXBABL-HOTGVXAUSA-N 1 1 348.447 0.021 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001088237707 747851868 /nfs/dbraw/zinc/85/18/68/747851868.db2.gz AVRWNELHZRPXAM-BBWFWOEESA-N 1 1 347.459 0.461 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001027805325 747920202 /nfs/dbraw/zinc/92/02/02/747920202.db2.gz QXADGRZZMRKHDD-RBUKOAKNSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2)C1 ZINC001027805325 747920205 /nfs/dbraw/zinc/92/02/05/747920205.db2.gz QXADGRZZMRKHDD-RBUKOAKNSA-N 1 1 341.455 0.949 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@](CNCC#N)(c3ccccc3)C2)C1 ZINC001105415096 747938856 /nfs/dbraw/zinc/93/88/56/747938856.db2.gz ZYSMOCDRFBMMNL-LMMKCTJWSA-N 1 1 342.443 0.647 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@](CNCC#N)(c3ccccc3)C2)C1 ZINC001105415096 747938860 /nfs/dbraw/zinc/93/88/60/747938860.db2.gz ZYSMOCDRFBMMNL-LMMKCTJWSA-N 1 1 342.443 0.647 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001088241873 747950602 /nfs/dbraw/zinc/95/06/02/747950602.db2.gz JIBAABPKISHGII-KRWDZBQOSA-N 1 1 330.432 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccon2)C1 ZINC000979512989 747968892 /nfs/dbraw/zinc/96/88/92/747968892.db2.gz YAHGFEODOQTEIM-YDHLFZDLSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccon2)C1 ZINC000979512989 747968897 /nfs/dbraw/zinc/96/88/97/747968897.db2.gz YAHGFEODOQTEIM-YDHLFZDLSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3nonc3C)CC2)C1 ZINC001088245176 747982574 /nfs/dbraw/zinc/98/25/74/747982574.db2.gz NPRKOLWEPYHYJQ-OAHLLOKOSA-N 1 1 332.404 0.954 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cnns3)C2)C1=O ZINC001029659111 747993634 /nfs/dbraw/zinc/99/36/34/747993634.db2.gz OCLCGAKWWFJLPS-STQMWFEESA-N 1 1 349.460 0.719 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027813321 748001634 /nfs/dbraw/zinc/00/16/34/748001634.db2.gz RELFUWJOWZTXEQ-GOEBONIOSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027813321 748001640 /nfs/dbraw/zinc/00/16/40/748001640.db2.gz RELFUWJOWZTXEQ-GOEBONIOSA-N 1 1 341.415 0.867 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncoc2C)C1 ZINC000979534650 748007421 /nfs/dbraw/zinc/00/74/21/748007421.db2.gz GXKQBWCZCNSUEL-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncoc2C)C1 ZINC000979534650 748007431 /nfs/dbraw/zinc/00/74/31/748007431.db2.gz GXKQBWCZCNSUEL-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1=O ZINC001029685826 748062411 /nfs/dbraw/zinc/06/24/11/748062411.db2.gz CSOCJUSEFAORAV-GOEBONIOSA-N 1 1 345.447 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001029685826 748062418 /nfs/dbraw/zinc/06/24/18/748062418.db2.gz CSOCJUSEFAORAV-GOEBONIOSA-N 1 1 345.447 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001029685826 748062424 /nfs/dbraw/zinc/06/24/24/748062424.db2.gz CSOCJUSEFAORAV-GOEBONIOSA-N 1 1 345.447 0.519 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001003041627 748108401 /nfs/dbraw/zinc/10/84/01/748108401.db2.gz GQEZUHHJTHXCIQ-QGZVFWFLSA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029708059 748110513 /nfs/dbraw/zinc/11/05/13/748110513.db2.gz KOMRKDKXASVQTQ-NEPJUHHUSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029708059 748110518 /nfs/dbraw/zinc/11/05/18/748110518.db2.gz KOMRKDKXASVQTQ-NEPJUHHUSA-N 1 1 342.407 0.565 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC000979623070 748115559 /nfs/dbraw/zinc/11/55/59/748115559.db2.gz VYXQRYLVTLSWAR-MELADBBJSA-N 1 1 329.404 0.463 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2[nH]cnc2CC)C1=O ZINC001028290073 752240849 /nfs/dbraw/zinc/24/08/49/752240849.db2.gz NZMFZFDUMIHXPB-UKRRQHHQSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2[nH]cnc2CC)C1=O ZINC001028290073 752240852 /nfs/dbraw/zinc/24/08/52/752240852.db2.gz NZMFZFDUMIHXPB-UKRRQHHQSA-N 1 1 345.447 0.953 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979613475 748121816 /nfs/dbraw/zinc/12/18/16/748121816.db2.gz PHKBRKLJLZSNNU-NZBPQXDJSA-N 1 1 343.431 0.709 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001029712667 748126268 /nfs/dbraw/zinc/12/62/68/748126268.db2.gz XZYPZYYWRQUUND-IUODEOHRSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ncc[nH]3)C2)C1=O ZINC001029733522 748175740 /nfs/dbraw/zinc/17/57/40/748175740.db2.gz JLXYSSVWYHJPSJ-KBPBESRZSA-N 1 1 331.420 0.591 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3n[nH]cc3C)C2)C1=O ZINC001029735063 748178301 /nfs/dbraw/zinc/17/83/01/748178301.db2.gz CDZPJQWERTWGCC-HUUCEWRRSA-N 1 1 345.447 0.899 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979666587 748189211 /nfs/dbraw/zinc/18/92/11/748189211.db2.gz XGBDOZSQKYBSGC-UXIGCNINSA-N 1 1 329.404 0.605 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001027834977 748357323 /nfs/dbraw/zinc/35/73/23/748357323.db2.gz MHGRAIXYXMMFAI-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001003282456 748376342 /nfs/dbraw/zinc/37/63/42/748376342.db2.gz NRHIYOARXQWOSG-HNNXBMFYSA-N 1 1 332.379 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001003282456 748376351 /nfs/dbraw/zinc/37/63/51/748376351.db2.gz NRHIYOARXQWOSG-HNNXBMFYSA-N 1 1 332.379 0.440 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCCC2=O)c[nH]1 ZINC001027835547 748385813 /nfs/dbraw/zinc/38/58/13/748385813.db2.gz FDAJNYWICVVRDU-HNNXBMFYSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3c[nH]nn3)C2)nn1 ZINC001098727590 748390248 /nfs/dbraw/zinc/39/02/48/748390248.db2.gz FIBVKGPCNXCYDY-HNNXBMFYSA-N 1 1 344.423 0.468 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000979790815 748405333 /nfs/dbraw/zinc/40/53/33/748405333.db2.gz KIOOZDVRPZXYJT-WOYTXXSLSA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC000979793430 748408682 /nfs/dbraw/zinc/40/86/82/748408682.db2.gz FSOJNZUFPWOIIM-HRCADAONSA-N 1 1 335.448 0.638 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3nnc(C)[nH]3)C2)C1=O ZINC001007308024 752274225 /nfs/dbraw/zinc/27/42/25/752274225.db2.gz JZHKQPGVFSOANB-KGLIPLIRSA-N 1 1 346.435 0.023 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3nnc(C)[nH]3)C2)C1=O ZINC001007308024 752274232 /nfs/dbraw/zinc/27/42/32/752274232.db2.gz JZHKQPGVFSOANB-KGLIPLIRSA-N 1 1 346.435 0.023 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCC2CC2)[C@H](OC)C1 ZINC001211988845 752276289 /nfs/dbraw/zinc/27/62/89/752276289.db2.gz LAVQILCIBVRFTN-FVQBIDKESA-N 1 1 326.437 0.820 20 30 ECEDMO Cn1nnc(C(=O)NC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC001003451991 748568389 /nfs/dbraw/zinc/56/83/89/748568389.db2.gz AKCUQIMFHMJYBH-UHFFFAOYSA-N 1 1 343.366 0.615 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[N@H+](C)C3CCC3)C2)cn1 ZINC001003472179 748589937 /nfs/dbraw/zinc/58/99/37/748589937.db2.gz XQDKFPPKSMJNIZ-UHFFFAOYSA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCS(C)(=O)=O)C2 ZINC001040121580 748591422 /nfs/dbraw/zinc/59/14/22/748591422.db2.gz SIZJXQCHDYKERC-ZFWWWQNUSA-N 1 1 327.450 0.505 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCS(C)(=O)=O)C2 ZINC001040121580 748591428 /nfs/dbraw/zinc/59/14/28/748591428.db2.gz SIZJXQCHDYKERC-ZFWWWQNUSA-N 1 1 327.450 0.505 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985606732 748732739 /nfs/dbraw/zinc/73/27/39/748732739.db2.gz BJYLVFJLENFWOE-MRXNPFEDSA-N 1 1 341.415 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2nonc2C)C1 ZINC000979967236 748759191 /nfs/dbraw/zinc/75/91/91/748759191.db2.gz JIEXITPCGMRNAT-IHRRRGAJSA-N 1 1 345.403 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2nonc2C)C1 ZINC000979967236 748759196 /nfs/dbraw/zinc/75/91/96/748759196.db2.gz JIEXITPCGMRNAT-IHRRRGAJSA-N 1 1 345.403 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2ccon2)C1 ZINC000979968516 748761850 /nfs/dbraw/zinc/76/18/50/748761850.db2.gz SFCCLPHCERXZSA-BPUTZDHNSA-N 1 1 344.415 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2ccon2)C1 ZINC000979968516 748761856 /nfs/dbraw/zinc/76/18/56/748761856.db2.gz SFCCLPHCERXZSA-BPUTZDHNSA-N 1 1 344.415 0.326 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000979969227 748763612 /nfs/dbraw/zinc/76/36/12/748763612.db2.gz ZMNSPXGSNJGYGT-XIRDDKMYSA-N 1 1 342.443 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000979969227 748763614 /nfs/dbraw/zinc/76/36/14/748763614.db2.gz ZMNSPXGSNJGYGT-XIRDDKMYSA-N 1 1 342.443 0.666 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2nonc2C)C1 ZINC000979994949 748793765 /nfs/dbraw/zinc/79/37/65/748793765.db2.gz JLQIZAFKRVAFRK-IHRRRGAJSA-N 1 1 345.403 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2nonc2C)C1 ZINC000979994949 748793767 /nfs/dbraw/zinc/79/37/67/748793767.db2.gz JLQIZAFKRVAFRK-IHRRRGAJSA-N 1 1 345.403 0.100 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)c(F)c1 ZINC001027861105 748797354 /nfs/dbraw/zinc/79/73/54/748797354.db2.gz RDOOKLFVBSMWNI-DZGCQCFKSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)c(F)c1 ZINC001027861105 748797356 /nfs/dbraw/zinc/79/73/56/748797356.db2.gz RDOOKLFVBSMWNI-DZGCQCFKSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)cc1 ZINC001027861452 748802447 /nfs/dbraw/zinc/80/24/47/748802447.db2.gz XPOFMEUMJWUADX-CABCVRRESA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)c1 ZINC001027861633 748804061 /nfs/dbraw/zinc/80/40/61/748804061.db2.gz ZXBSWXDPFKJYOO-DZGCQCFKSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)c1 ZINC001027861633 748804068 /nfs/dbraw/zinc/80/40/68/748804068.db2.gz ZXBSWXDPFKJYOO-DZGCQCFKSA-N 1 1 346.362 0.886 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)[C@@H]2C1 ZINC001075873362 748865464 /nfs/dbraw/zinc/86/54/64/748865464.db2.gz RDIGURJTLHZCHR-GXTWGEPZSA-N 1 1 339.399 0.844 20 30 ECEDMO N#CCN[C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001088350512 748871549 /nfs/dbraw/zinc/87/15/49/748871549.db2.gz ZFKLZYFAMZNZPV-GARNVTTQSA-N 1 1 332.448 0.734 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CNC(=O)CCC(C)C)C2)nn1 ZINC001105345583 748999511 /nfs/dbraw/zinc/99/95/11/748999511.db2.gz IBYUGKVUYDPAOL-UHFFFAOYSA-N 1 1 348.451 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)[C@@H]3CCCNC3=O)CC2)cn1 ZINC000985758042 749021546 /nfs/dbraw/zinc/02/15/46/749021546.db2.gz UERVEPNWBBBZOE-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)[C@@H]3CCNC3=O)CC2)nc1 ZINC000985759253 749025130 /nfs/dbraw/zinc/02/51/30/749025130.db2.gz GKCPUVKQFHENME-MRXNPFEDSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(N)=O)cn3C)C[C@H]2C1 ZINC000980139678 749050533 /nfs/dbraw/zinc/05/05/33/749050533.db2.gz JUUIEATWOKNKPZ-OFQRWUPVSA-N 1 1 342.443 0.978 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCCNC3=O)C[C@H]2C1 ZINC000980143830 749060374 /nfs/dbraw/zinc/06/03/74/749060374.db2.gz QFLIXUNAXVPIKH-HRCADAONSA-N 1 1 332.448 0.642 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001059645524 749085890 /nfs/dbraw/zinc/08/58/90/749085890.db2.gz DSTIRLYOORBBSD-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO NC(=O)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C1 ZINC000980158721 749088818 /nfs/dbraw/zinc/08/88/18/749088818.db2.gz AILYQTIMSAAKFX-ZMSDIMECSA-N 1 1 343.402 0.879 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001059645991 749092004 /nfs/dbraw/zinc/09/20/04/749092004.db2.gz LADSEEDELZDLQA-IAGOWNOFSA-N 1 1 349.475 0.723 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)cn1 ZINC001003983573 749107012 /nfs/dbraw/zinc/10/70/12/749107012.db2.gz PBGYVTBIUWUVJL-UHFFFAOYSA-N 1 1 340.427 0.880 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059648447 749114176 /nfs/dbraw/zinc/11/41/76/749114176.db2.gz SPGDJIHLNGPJRG-IXDOHACOSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCOCC3)C[C@@H]2C1 ZINC000980185052 749134731 /nfs/dbraw/zinc/13/47/31/749134731.db2.gz SNKYSPPLTXEXHM-GVDBMIGSSA-N 1 1 333.476 0.947 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001059654357 749149640 /nfs/dbraw/zinc/14/96/40/749149640.db2.gz CIEZGMORSMPCAY-QLFBSQMISA-N 1 1 329.404 0.733 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001059654357 749149642 /nfs/dbraw/zinc/14/96/42/749149642.db2.gz CIEZGMORSMPCAY-QLFBSQMISA-N 1 1 329.404 0.733 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1cc(C)ncc1C#N ZINC001126254947 749154642 /nfs/dbraw/zinc/15/46/42/749154642.db2.gz ORKLXAMWLFYKCY-INIZCTEOSA-N 1 1 345.447 0.925 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC000980205557 749181158 /nfs/dbraw/zinc/18/11/58/749181158.db2.gz DVYABVFRDKUNRN-IHRRRGAJSA-N 1 1 334.420 0.283 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C3CC(C)C3)CC2)CC1 ZINC000985829054 749191754 /nfs/dbraw/zinc/19/17/54/749191754.db2.gz KVHAFHHFIXGZBX-UHFFFAOYSA-N 1 1 346.475 0.938 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]2C1 ZINC000980204746 749198848 /nfs/dbraw/zinc/19/88/48/749198848.db2.gz BBNZYTAMRWSPDT-TUAOUCFPSA-N 1 1 346.387 0.360 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC000980235564 749218641 /nfs/dbraw/zinc/21/86/41/749218641.db2.gz BHYHWNCHGBXVIJ-BFHYXJOUSA-N 1 1 341.415 0.429 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)C[C@H]2C1 ZINC000980237525 749240515 /nfs/dbraw/zinc/24/05/15/749240515.db2.gz RGVKDHWPOHVYRK-KKUMJFAQSA-N 1 1 328.416 0.634 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC000980240539 749244909 /nfs/dbraw/zinc/24/49/09/749244909.db2.gz DIZFGCZSFBJXPC-IHRRRGAJSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C(N)=O)cn3)C[C@H]2C1 ZINC000980255287 749261173 /nfs/dbraw/zinc/26/11/73/749261173.db2.gz JHMDNRBEUCWOBP-KKUMJFAQSA-N 1 1 326.400 0.644 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC000980267583 749277393 /nfs/dbraw/zinc/27/73/93/749277393.db2.gz CEPSFBAKQSXFGQ-IRXDYDNUSA-N 1 1 325.412 0.632 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001004388116 749454802 /nfs/dbraw/zinc/45/48/02/749454802.db2.gz ABUPRDCZDBLPNC-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC001004441116 749500866 /nfs/dbraw/zinc/50/08/66/749500866.db2.gz AYGJVZXPKQBOPV-CJNGLKHVSA-N 1 1 340.427 0.449 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001004475180 749544157 /nfs/dbraw/zinc/54/41/57/749544157.db2.gz RXXLRIDDZBPZAF-KRWDZBQOSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001004474781 749544459 /nfs/dbraw/zinc/54/44/59/749544459.db2.gz DYOMWHJRHNFMID-OAHLLOKOSA-N 1 1 346.431 0.838 20 30 ECEDMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000986112187 749560721 /nfs/dbraw/zinc/56/07/21/749560721.db2.gz ALCQUGACFHCUHI-ZWNOBZJWSA-N 1 1 340.391 0.601 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001112101443 761965913 /nfs/dbraw/zinc/96/59/13/761965913.db2.gz NLYUPFQADGBYIC-QJPTWQEYSA-N 1 1 349.353 0.140 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000986178153 749637300 /nfs/dbraw/zinc/63/73/00/749637300.db2.gz STXHPJWGUVMBRY-BXUZGUMPSA-N 1 1 342.407 0.847 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCn1cccn1 ZINC001027939134 749643064 /nfs/dbraw/zinc/64/30/64/749643064.db2.gz IGFQQBAHLUIYSB-SJORKVTESA-N 1 1 329.448 0.561 20 30 ECEDMO C[C@@H]1[C@@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000986189330 749647953 /nfs/dbraw/zinc/64/79/53/749647953.db2.gz WMMRVZFDWCLNTP-YPMHNXCESA-N 1 1 345.382 0.840 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001004585175 749656787 /nfs/dbraw/zinc/65/67/87/749656787.db2.gz XRFKBDMGDIDCFC-OAHLLOKOSA-N 1 1 346.431 0.265 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000980549876 749735402 /nfs/dbraw/zinc/73/54/02/749735402.db2.gz MILSAKZMCFAFPU-ZNEHSRBWSA-N 1 1 343.431 0.709 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1C ZINC000986286354 749754853 /nfs/dbraw/zinc/75/48/53/749754853.db2.gz NMLKCADSTCUGGH-UKRRQHHQSA-N 1 1 330.436 0.966 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)COC)CC[C@@H]2C1 ZINC000986308748 749778264 /nfs/dbraw/zinc/77/82/64/749778264.db2.gz JDPIXXUKZGAKHE-PMPSAXMXSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)COC)CC[C@@H]2C1 ZINC000986308748 749778271 /nfs/dbraw/zinc/77/82/71/749778271.db2.gz JDPIXXUKZGAKHE-PMPSAXMXSA-N 1 1 333.432 0.037 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccon3)[C@H]2C)C1=O ZINC001088499488 750004190 /nfs/dbraw/zinc/00/41/90/750004190.db2.gz DSOIQLHHZKUJSQ-SNPRPXQTSA-N 1 1 332.404 0.583 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccon3)[C@H]2C)C1=O ZINC001088499488 750004193 /nfs/dbraw/zinc/00/41/93/750004193.db2.gz DSOIQLHHZKUJSQ-SNPRPXQTSA-N 1 1 332.404 0.583 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cccn3C)CC2)C1=O ZINC000980715473 750009491 /nfs/dbraw/zinc/00/94/91/750009491.db2.gz OIMZSQOHUTVCGF-MRXNPFEDSA-N 1 1 330.432 0.960 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cccn3C)CC2)C1=O ZINC000980715473 750009495 /nfs/dbraw/zinc/00/94/95/750009495.db2.gz OIMZSQOHUTVCGF-MRXNPFEDSA-N 1 1 330.432 0.960 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001029946207 750024713 /nfs/dbraw/zinc/02/47/13/750024713.db2.gz HWFWZTFGHQQOBN-DZGCQCFKSA-N 1 1 341.477 0.751 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058843695 750028415 /nfs/dbraw/zinc/02/84/15/750028415.db2.gz ISBLBRTVVJOSQY-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO Cn1cnnc1C[N@H+](C)CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001029952785 750056723 /nfs/dbraw/zinc/05/67/23/750056723.db2.gz IRMYEJYMMHHRKG-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1cnnc1C[N@@H+](C)CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001029952785 750056724 /nfs/dbraw/zinc/05/67/24/750056724.db2.gz IRMYEJYMMHHRKG-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001030184784 762014892 /nfs/dbraw/zinc/01/48/92/762014892.db2.gz XTEZHBBSYBWNFG-INIZCTEOSA-N 1 1 332.379 0.328 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001030184784 762014899 /nfs/dbraw/zinc/01/48/99/762014899.db2.gz XTEZHBBSYBWNFG-INIZCTEOSA-N 1 1 332.379 0.328 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 ZINC000986602002 750182121 /nfs/dbraw/zinc/18/21/21/750182121.db2.gz VRZZNYQKFNQKSB-YUELXQCFSA-N 1 1 329.404 0.658 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)nn3C)C2)nn1 ZINC001105347697 750324048 /nfs/dbraw/zinc/32/40/48/750324048.db2.gz KTNYGOFUNRVCOE-UHFFFAOYSA-N 1 1 329.408 0.547 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cncn2C)C1=O ZINC001028003555 750326273 /nfs/dbraw/zinc/32/62/73/750326273.db2.gz JNXAGIDCPCUGBU-ZIAGYGMSSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cncn2C)C1=O ZINC001028003555 750326279 /nfs/dbraw/zinc/32/62/79/750326279.db2.gz JNXAGIDCPCUGBU-ZIAGYGMSSA-N 1 1 331.420 0.401 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[N@@H+](C[C@@H]3CCc4ncnn43)CC2)c1 ZINC000980917219 750352106 /nfs/dbraw/zinc/35/21/06/750352106.db2.gz GBDNRXQZNVYNFP-AWEZNQCLSA-N 1 1 339.403 0.813 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3cccnc3)CC2)C1=O ZINC000980976807 750413504 /nfs/dbraw/zinc/41/35/04/750413504.db2.gz FIEYXGLTGWBDQY-KRWDZBQOSA-N 1 1 342.443 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3cccnc3)CC2)C1=O ZINC000980976807 750413509 /nfs/dbraw/zinc/41/35/09/750413509.db2.gz FIEYXGLTGWBDQY-KRWDZBQOSA-N 1 1 342.443 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1=O ZINC000980974578 750423340 /nfs/dbraw/zinc/42/33/40/750423340.db2.gz XLNXSUSWHYZOES-HUUCEWRRSA-N 1 1 349.431 0.261 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1=O ZINC000980974578 750423341 /nfs/dbraw/zinc/42/33/41/750423341.db2.gz XLNXSUSWHYZOES-HUUCEWRRSA-N 1 1 349.431 0.261 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001087434142 750455859 /nfs/dbraw/zinc/45/58/59/750455859.db2.gz XSJTWFQSRUSUAZ-IXDOHACOSA-N 1 1 325.412 0.730 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001087434142 750455862 /nfs/dbraw/zinc/45/58/62/750455862.db2.gz XSJTWFQSRUSUAZ-IXDOHACOSA-N 1 1 325.412 0.730 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCNC1=O ZINC001028072664 750485581 /nfs/dbraw/zinc/48/55/81/750485581.db2.gz MTDMRSFJXWOXTA-IRXDYDNUSA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@H]1CCNC1=O ZINC001028072664 750485586 /nfs/dbraw/zinc/48/55/86/750485586.db2.gz MTDMRSFJXWOXTA-IRXDYDNUSA-N 1 1 325.412 0.755 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nncs3)[C@@H]2C)nn1 ZINC000987130642 750515992 /nfs/dbraw/zinc/51/59/92/750515992.db2.gz ADAHAUNVGHSLRY-QWRGUYRKSA-N 1 1 333.421 0.708 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)[nH]3)[C@H]2C)nn1 ZINC000987132217 750525318 /nfs/dbraw/zinc/52/53/18/750525318.db2.gz GYSNCHGFIRCFPC-ZYHUDNBSSA-N 1 1 330.396 0.283 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nncn3C)[C@H]2C)nn1 ZINC000987171585 750545729 /nfs/dbraw/zinc/54/57/29/750545729.db2.gz XEBINYDCKYBLBK-OLZOCXBDSA-N 1 1 344.423 0.376 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000981369725 750633220 /nfs/dbraw/zinc/63/32/20/750633220.db2.gz IOGDAHNFJKJGBM-BFHYXJOUSA-N 1 1 343.431 0.853 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)C2)nc1 ZINC001005831812 750701997 /nfs/dbraw/zinc/70/19/97/750701997.db2.gz ZZWXIJRABKLWLH-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3nnn(C)n3)C2)nc1 ZINC000981463986 750719629 /nfs/dbraw/zinc/71/96/29/750719629.db2.gz LHDBZHFKTWRHTL-ZIAGYGMSSA-N 1 1 339.403 0.417 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000981625676 750898838 /nfs/dbraw/zinc/89/88/38/750898838.db2.gz QDFPAGYOJAZTEU-ZNMIVQPWSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000981625676 750898844 /nfs/dbraw/zinc/89/88/44/750898844.db2.gz QDFPAGYOJAZTEU-ZNMIVQPWSA-N 1 1 343.431 0.522 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3cnccn3)C2)nn1 ZINC001105357424 750899139 /nfs/dbraw/zinc/89/91/39/750899139.db2.gz CHXPUNZHJRIRLU-UHFFFAOYSA-N 1 1 341.419 0.750 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3ccn(C)n3)[C@@H]2C)CC1 ZINC000987575026 750977188 /nfs/dbraw/zinc/97/71/88/750977188.db2.gz HTTVUAGGINABNF-MAUKXSAKSA-N 1 1 343.475 0.844 20 30 ECEDMO C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC001098513865 750987795 /nfs/dbraw/zinc/98/77/95/750987795.db2.gz CZPPIKHOLDYELH-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001006126127 751046151 /nfs/dbraw/zinc/04/61/51/751046151.db2.gz MVLINDYUTVUNBM-UKRRQHHQSA-N 1 1 340.427 0.591 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001006126119 751046593 /nfs/dbraw/zinc/04/65/93/751046593.db2.gz MVLINDYUTVUNBM-HIFRSBDPSA-N 1 1 340.427 0.591 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001028122182 751084916 /nfs/dbraw/zinc/08/49/16/751084916.db2.gz SWVDPTWPEWMPOL-AAEUAGOBSA-N 1 1 335.383 0.530 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001028122182 751084924 /nfs/dbraw/zinc/08/49/24/751084924.db2.gz SWVDPTWPEWMPOL-AAEUAGOBSA-N 1 1 335.383 0.530 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)nn1 ZINC001105358069 751115751 /nfs/dbraw/zinc/11/57/51/751115751.db2.gz RSUWDJCNFXCEPP-CYBMUJFWSA-N 1 1 346.435 0.196 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C(=O)N3CC[C@H](C)C3)C2)nn1 ZINC001105358071 751117083 /nfs/dbraw/zinc/11/70/83/751117083.db2.gz RSUWDJCNFXCEPP-ZDUSSCGKSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(Cc1cnon1)C2 ZINC000981819023 751135161 /nfs/dbraw/zinc/13/51/61/751135161.db2.gz JWJXIKAFCSFNLZ-INIZCTEOSA-N 1 1 343.431 0.592 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(Cc1cnon1)C2 ZINC000981819023 751135163 /nfs/dbraw/zinc/13/51/63/751135163.db2.gz JWJXIKAFCSFNLZ-INIZCTEOSA-N 1 1 343.431 0.592 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)s1 ZINC001028139673 751189964 /nfs/dbraw/zinc/18/99/64/751189964.db2.gz BKYOFVRVNDEAPM-HONMWMINSA-N 1 1 332.429 0.822 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)s1 ZINC001028139673 751189965 /nfs/dbraw/zinc/18/99/65/751189965.db2.gz BKYOFVRVNDEAPM-HONMWMINSA-N 1 1 332.429 0.822 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCN1CCCC1=O ZINC001028146673 751226668 /nfs/dbraw/zinc/22/66/68/751226668.db2.gz KJZQTWVETAECST-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)N2CCC[N@H+](CCN3C(=O)CNC3=O)CC2)CC1 ZINC000981873690 751228337 /nfs/dbraw/zinc/22/83/37/751228337.db2.gz RRKCQDZDHRSAGS-UHFFFAOYSA-N 1 1 348.447 0.819 20 30 ECEDMO C=C1CCC(C(=O)N2CCC[N@@H+](CCN3C(=O)CNC3=O)CC2)CC1 ZINC000981873690 751228339 /nfs/dbraw/zinc/22/83/39/751228339.db2.gz RRKCQDZDHRSAGS-UHFFFAOYSA-N 1 1 348.447 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2[nH]cnc2C)C1 ZINC001006313021 751231449 /nfs/dbraw/zinc/23/14/49/751231449.db2.gz DWBLUYPLDACFQJ-DOMZBBRYSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2[nH]cnc2C)C1 ZINC001006313021 751231455 /nfs/dbraw/zinc/23/14/55/751231455.db2.gz DWBLUYPLDACFQJ-DOMZBBRYSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2cnoc2)C1 ZINC001006313866 751233354 /nfs/dbraw/zinc/23/33/54/751233354.db2.gz IIJPPNDVTBBMQB-BBRMVZONSA-N 1 1 344.415 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2cnoc2)C1 ZINC001006313866 751233357 /nfs/dbraw/zinc/23/33/57/751233357.db2.gz IIJPPNDVTBBMQB-BBRMVZONSA-N 1 1 344.415 0.278 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC000981878304 751238391 /nfs/dbraw/zinc/23/83/91/751238391.db2.gz PPGPNOJFUJXBEL-UHFFFAOYSA-N 1 1 331.416 0.473 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccn[nH]3)CCO2)s1 ZINC001051455316 762108457 /nfs/dbraw/zinc/10/84/57/762108457.db2.gz MIPMVNSAELBZHF-LLVKDONJSA-N 1 1 331.401 0.974 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@H+](CCN3CCCC3=O)CC2)c1 ZINC000981923464 751271138 /nfs/dbraw/zinc/27/11/38/751271138.db2.gz SGPVTFOCGKXVCK-UHFFFAOYSA-N 1 1 340.427 0.833 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@@H+](CCN3CCCC3=O)CC2)c1 ZINC000981923464 751271143 /nfs/dbraw/zinc/27/11/43/751271143.db2.gz SGPVTFOCGKXVCK-UHFFFAOYSA-N 1 1 340.427 0.833 20 30 ECEDMO COCCN(CCNC(=O)Cn1cc[nH+]c1C)c1ccc(C#N)nn1 ZINC001126349280 752309271 /nfs/dbraw/zinc/30/92/71/752309271.db2.gz JHVUVHCEKFUYGL-UHFFFAOYSA-N 1 1 343.391 0.122 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1C ZINC000988614648 752383318 /nfs/dbraw/zinc/38/33/18/752383318.db2.gz VACFLNLYIVJXTJ-RISCZKNCSA-N 1 1 341.419 0.970 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1OC ZINC001212022514 752417065 /nfs/dbraw/zinc/41/70/65/752417065.db2.gz VKUBBQCJOLZYBN-ZIAGYGMSSA-N 1 1 339.461 1.000 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1OC ZINC001212022514 752417067 /nfs/dbraw/zinc/41/70/67/752417067.db2.gz VKUBBQCJOLZYBN-ZIAGYGMSSA-N 1 1 339.461 1.000 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)NC(=O)CC)C2)nn1 ZINC001098677917 752434361 /nfs/dbraw/zinc/43/43/61/752434361.db2.gz ABQOGDHKSNZVKS-DZGCQCFKSA-N 1 1 348.451 0.632 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001059911016 752452622 /nfs/dbraw/zinc/45/26/22/752452622.db2.gz CGNKUTURDMRQSJ-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001059911016 752452630 /nfs/dbraw/zinc/45/26/30/752452630.db2.gz CGNKUTURDMRQSJ-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000988643335 752456901 /nfs/dbraw/zinc/45/69/01/752456901.db2.gz FBLLCMRAACBFAZ-WCQYABFASA-N 1 1 342.407 0.676 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCN(C)C(C)=O)C2)nn1 ZINC001105368140 752467970 /nfs/dbraw/zinc/46/79/70/752467970.db2.gz PRQMLYQUQHRSMK-UHFFFAOYSA-N 1 1 334.424 0.196 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001007519018 752474825 /nfs/dbraw/zinc/47/48/25/752474825.db2.gz GVZIJYNLHYQSLS-SJORKVTESA-N 1 1 329.448 0.598 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC001007519018 752474827 /nfs/dbraw/zinc/47/48/27/752474827.db2.gz GVZIJYNLHYQSLS-SJORKVTESA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001007519018 752474828 /nfs/dbraw/zinc/47/48/28/752474828.db2.gz GVZIJYNLHYQSLS-SJORKVTESA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001007519018 752474829 /nfs/dbraw/zinc/47/48/29/752474829.db2.gz GVZIJYNLHYQSLS-SJORKVTESA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2C1 ZINC001021065878 752495841 /nfs/dbraw/zinc/49/58/41/752495841.db2.gz IKKGUDCNSDCTCV-BHYGNILZSA-N 1 1 340.427 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2C1 ZINC001021065878 752495843 /nfs/dbraw/zinc/49/58/43/752495843.db2.gz IKKGUDCNSDCTCV-BHYGNILZSA-N 1 1 340.427 0.785 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@@H]1C ZINC000988733962 752629022 /nfs/dbraw/zinc/62/90/22/752629022.db2.gz HJUIKBMPFZDULD-FXUDXRNXSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@@H]1C ZINC000988733962 752629024 /nfs/dbraw/zinc/62/90/24/752629024.db2.gz HJUIKBMPFZDULD-FXUDXRNXSA-N 1 1 333.432 0.369 20 30 ECEDMO O=C(NC[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCC(=O)N1 ZINC001028449284 752679556 /nfs/dbraw/zinc/67/95/56/752679556.db2.gz ZLDYMCMKWFQGPZ-DOTOQJQBSA-N 1 1 343.402 0.894 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001007654936 752719376 /nfs/dbraw/zinc/71/93/76/752719376.db2.gz PDBLDPQLFMTMDQ-VQIMIIECSA-N 1 1 345.443 0.181 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCCO2)[C@H](OC)C1 ZINC001212098381 752721153 /nfs/dbraw/zinc/72/11/53/752721153.db2.gz HPVJIQPAQBCWNI-BZUAXINKSA-N 1 1 326.437 0.964 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001028464808 752753472 /nfs/dbraw/zinc/75/34/72/752753472.db2.gz FSSMQTODORPZSI-OLZOCXBDSA-N 1 1 346.269 0.664 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001028464808 752753475 /nfs/dbraw/zinc/75/34/75/752753475.db2.gz FSSMQTODORPZSI-OLZOCXBDSA-N 1 1 346.269 0.664 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1 ZINC001021326828 752778302 /nfs/dbraw/zinc/77/83/02/752778302.db2.gz DRTDENOMSSRDNA-SQWLQELKSA-N 1 1 341.415 0.511 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cn(C)cn3)C2)C1=O ZINC001028481434 752810193 /nfs/dbraw/zinc/81/01/93/752810193.db2.gz XVBIPNNDNPCNMD-DZGCQCFKSA-N 1 1 331.420 0.259 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001028490331 752831137 /nfs/dbraw/zinc/83/11/37/752831137.db2.gz KEWAYJYHTJSLBX-ZWKOTPCHSA-N 1 1 342.443 0.827 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028487125 752832308 /nfs/dbraw/zinc/83/23/08/752832308.db2.gz QTQNXDNNMJDQGS-CQSZACIVSA-N 1 1 341.419 0.847 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c[nH]1 ZINC001028491535 752834993 /nfs/dbraw/zinc/83/49/93/752834993.db2.gz AJHOVPIRBINIIZ-DOMZBBRYSA-N 1 1 339.403 0.717 20 30 ECEDMO COc1cncc(C[N@@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028491791 752835824 /nfs/dbraw/zinc/83/58/24/752835824.db2.gz LSZOEMHKHUBCDA-GFCCVEGCSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1cncc(C[N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028491791 752835833 /nfs/dbraw/zinc/83/58/33/752835833.db2.gz LSZOEMHKHUBCDA-GFCCVEGCSA-N 1 1 340.387 0.937 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c[nH]1 ZINC001028491759 752836331 /nfs/dbraw/zinc/83/63/31/752836331.db2.gz KHXWKBCRZALFLL-KBPBESRZSA-N 1 1 343.431 0.854 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000982544374 752848519 /nfs/dbraw/zinc/84/85/19/752848519.db2.gz BZOHZFSCZCRSCH-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001007719721 752856460 /nfs/dbraw/zinc/85/64/60/752856460.db2.gz UYGWLKKZUBLQLU-RDTXWAMCSA-N 1 1 348.447 0.460 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 ZINC001007720145 752857121 /nfs/dbraw/zinc/85/71/21/752857121.db2.gz WOSHHVZPZOXKEE-GUYCJALGSA-N 1 1 345.403 0.332 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000982546939 752860581 /nfs/dbraw/zinc/86/05/81/752860581.db2.gz NKHCKLNQNIFALB-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@]2(C)C1 ZINC000982554608 752884192 /nfs/dbraw/zinc/88/41/92/752884192.db2.gz ZKJLBPGUERCHEE-QGWWYQLQSA-N 1 1 347.459 0.426 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nc2C)[C@@H](O)C1 ZINC001083460514 752885521 /nfs/dbraw/zinc/88/55/21/752885521.db2.gz LCZNKOHZKQILIH-IMJJTQAJSA-N 1 1 334.420 0.504 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCC)C[C@H]1OCC ZINC000982556288 752887800 /nfs/dbraw/zinc/88/78/00/752887800.db2.gz PQPNAFKQDZDMLX-IXDOHACOSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCC)C[C@H]1OCC ZINC000982556288 752887805 /nfs/dbraw/zinc/88/78/05/752887805.db2.gz PQPNAFKQDZDMLX-IXDOHACOSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2OCC(N)=O)C1 ZINC001007856084 752996938 /nfs/dbraw/zinc/99/69/38/752996938.db2.gz CDJVMPNYRLTJOJ-AWEZNQCLSA-N 1 1 329.400 0.768 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2OCC(N)=O)C1 ZINC001007856084 752996941 /nfs/dbraw/zinc/99/69/41/752996941.db2.gz CDJVMPNYRLTJOJ-AWEZNQCLSA-N 1 1 329.400 0.768 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001007951476 753119502 /nfs/dbraw/zinc/11/95/02/753119502.db2.gz JFUMCRHKMIGWRP-HNNXBMFYSA-N 1 1 343.493 0.959 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C ZINC001007972470 753155016 /nfs/dbraw/zinc/15/50/16/753155016.db2.gz VXHCYGAMZCGEEZ-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@]3(C)C[N@@H+](CC(N)=O)C[C@]3(C)C2)nn1 ZINC000982634501 753176419 /nfs/dbraw/zinc/17/64/19/753176419.db2.gz LMZQKCQTNUKPQH-CALCHBBNSA-N 1 1 346.435 0.124 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@]3(C)C[N@H+](CC(N)=O)C[C@]3(C)C2)nn1 ZINC000982634501 753176421 /nfs/dbraw/zinc/17/64/21/753176421.db2.gz LMZQKCQTNUKPQH-CALCHBBNSA-N 1 1 346.435 0.124 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1 ZINC001008026780 753210568 /nfs/dbraw/zinc/21/05/68/753210568.db2.gz XJWUSZFORONIRX-ZFWWWQNUSA-N 1 1 343.431 0.805 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001008031219 753216235 /nfs/dbraw/zinc/21/62/35/753216235.db2.gz KHJLHSAREVFABP-KSZLIROESA-N 1 1 349.475 0.470 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001008031219 753216236 /nfs/dbraw/zinc/21/62/36/753216236.db2.gz KHJLHSAREVFABP-KSZLIROESA-N 1 1 349.475 0.470 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3nc4ncccn4n3)C[C@@]2(C)C1 ZINC000982661619 753239403 /nfs/dbraw/zinc/23/94/03/753239403.db2.gz ZGHFVNUACJQTLZ-HDICACEKSA-N 1 1 338.415 0.932 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)CC1 ZINC000938093930 753263153 /nfs/dbraw/zinc/26/31/53/753263153.db2.gz CECJDKPKCXEVCN-INIZCTEOSA-N 1 1 343.431 0.015 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1C ZINC001051495221 762207528 /nfs/dbraw/zinc/20/75/28/762207528.db2.gz SKVQPTULMXITRN-CHWSQXEVSA-N 1 1 334.424 0.415 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982712413 753382735 /nfs/dbraw/zinc/38/27/35/753382735.db2.gz BIRBBRHZPILBFL-HDICACEKSA-N 1 1 348.447 0.675 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3C(N)=O)C[C@@]2(C)C1 ZINC000982726868 753425422 /nfs/dbraw/zinc/42/54/22/753425422.db2.gz XBIAXBPTNLWMLW-OLMNPRSZSA-N 1 1 332.448 0.723 20 30 ECEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@]2(C)C1 ZINC000982728400 753427715 /nfs/dbraw/zinc/42/77/15/753427715.db2.gz LHIQMFVBOMTJBF-HDICACEKSA-N 1 1 348.447 0.627 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3nc(C)ccc3=O)C[C@@]2(C)C1 ZINC000982751797 753481755 /nfs/dbraw/zinc/48/17/55/753481755.db2.gz DRHKLXVFYCBFTM-KDURUIRLSA-N 1 1 342.443 0.745 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001008280996 753543661 /nfs/dbraw/zinc/54/36/61/753543661.db2.gz GVGDVBAXHKKOIA-HUUCEWRRSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001008280996 753543667 /nfs/dbraw/zinc/54/36/67/753543667.db2.gz GVGDVBAXHKKOIA-HUUCEWRRSA-N 1 1 332.404 0.585 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000982785277 753556475 /nfs/dbraw/zinc/55/64/75/753556475.db2.gz ZGLADANOQIRBIM-ZBFHGGJFSA-N 1 1 340.427 0.593 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC001008296221 753564099 /nfs/dbraw/zinc/56/40/99/753564099.db2.gz QKIVRTCXHHEWKV-BXUZGUMPSA-N 1 1 347.419 0.863 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001008311994 753588679 /nfs/dbraw/zinc/58/86/79/753588679.db2.gz VRJOHBQWTOKFSN-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001008311994 753588684 /nfs/dbraw/zinc/58/86/84/753588684.db2.gz VRJOHBQWTOKFSN-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 ZINC001098680904 753595222 /nfs/dbraw/zinc/59/52/22/753595222.db2.gz LHRNGNDDYJVFEV-CVEARBPZSA-N 1 1 345.451 0.539 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)cc1 ZINC001083339872 753609414 /nfs/dbraw/zinc/60/94/14/753609414.db2.gz FSZDGYCYUFXFQI-CVEARBPZSA-N 1 1 325.372 0.116 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)cc1 ZINC001083339872 753609417 /nfs/dbraw/zinc/60/94/17/753609417.db2.gz FSZDGYCYUFXFQI-CVEARBPZSA-N 1 1 325.372 0.116 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001098681270 753621122 /nfs/dbraw/zinc/62/11/22/753621122.db2.gz QIPSAVLZQAELJZ-MRXNPFEDSA-N 1 1 344.463 0.649 20 30 ECEDMO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1CNC(=O)N1 ZINC001008369391 753665700 /nfs/dbraw/zinc/66/57/00/753665700.db2.gz CJTTZOVPBMTNCS-CVEARBPZSA-N 1 1 326.400 0.300 20 30 ECEDMO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CNC(=O)N1 ZINC001008369391 753665709 /nfs/dbraw/zinc/66/57/09/753665709.db2.gz CJTTZOVPBMTNCS-CVEARBPZSA-N 1 1 326.400 0.300 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)cc1 ZINC001083381391 753743645 /nfs/dbraw/zinc/74/36/45/753743645.db2.gz HGXZMNZFQKUZRV-CVEARBPZSA-N 1 1 325.372 0.185 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)cc1 ZINC001083381391 753743649 /nfs/dbraw/zinc/74/36/49/753743649.db2.gz HGXZMNZFQKUZRV-CVEARBPZSA-N 1 1 325.372 0.185 20 30 ECEDMO C#CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685304 753765589 /nfs/dbraw/zinc/76/55/89/753765589.db2.gz FCXZCVNQNKGVAN-HZPDHXFCSA-N 1 1 330.436 0.259 20 30 ECEDMO CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583148 753864105 /nfs/dbraw/zinc/86/41/05/753864105.db2.gz KXVUQRIPKHPFCD-UONOGXRCSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C(N)=O)ccn3)C[C@@]2(C)C1 ZINC000982867319 754033985 /nfs/dbraw/zinc/03/39/85/754033985.db2.gz LWTUMGUTBQUZPM-KDURUIRLSA-N 1 1 340.427 0.988 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001008739022 754060248 /nfs/dbraw/zinc/06/02/48/754060248.db2.gz SBVVJVCYZUVKFE-ZDUSSCGKSA-N 1 1 330.392 0.048 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)CC2)cn1 ZINC000989512786 754064045 /nfs/dbraw/zinc/06/40/45/754064045.db2.gz TTYFGRWZLWWXCO-AWEZNQCLSA-N 1 1 328.416 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)N(C)C)CC2)cn1 ZINC000989512786 754064048 /nfs/dbraw/zinc/06/40/48/754064048.db2.gz TTYFGRWZLWWXCO-AWEZNQCLSA-N 1 1 328.416 0.688 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CNC(=O)C3CCC3)C2)nn1 ZINC001105376921 754065311 /nfs/dbraw/zinc/06/53/11/754065311.db2.gz LDAPIWPTBXTJIE-UHFFFAOYSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cc(OC)no3)C[C@@H]2C)nn1 ZINC000989535590 754078905 /nfs/dbraw/zinc/07/89/05/754078905.db2.gz CDKYJLKVKCUPDJ-RYUDHWBXSA-N 1 1 346.391 0.854 20 30 ECEDMO C=C(C)C[N@H+]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557437 754113326 /nfs/dbraw/zinc/11/33/26/754113326.db2.gz LIGDVDVPCLUUJT-OAHLLOKOSA-N 1 1 329.466 0.569 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001008791835 754122621 /nfs/dbraw/zinc/12/26/21/754122621.db2.gz ALNOSKPUCJSYDZ-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001008791835 754122625 /nfs/dbraw/zinc/12/26/25/754122625.db2.gz ALNOSKPUCJSYDZ-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001008811259 754142920 /nfs/dbraw/zinc/14/29/20/754142920.db2.gz QVWHNBQOCHDRKY-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001008811259 754142924 /nfs/dbraw/zinc/14/29/24/754142924.db2.gz QVWHNBQOCHDRKY-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001008811255 754143016 /nfs/dbraw/zinc/14/30/16/754143016.db2.gz QVWHNBQOCHDRKY-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001008811255 754143020 /nfs/dbraw/zinc/14/30/20/754143020.db2.gz QVWHNBQOCHDRKY-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001008871361 754238293 /nfs/dbraw/zinc/23/82/93/754238293.db2.gz SSGPZVHMOKTJPL-CYBMUJFWSA-N 1 1 327.388 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000983053513 754514620 /nfs/dbraw/zinc/51/46/20/754514620.db2.gz HWZXXOPBTMVPJS-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](N2C(=O)NC3(CCC(C(=O)OC)CC3)C2=O)C1 ZINC000925326465 754565271 /nfs/dbraw/zinc/56/52/71/754565271.db2.gz QPSIKSCMKRZQIM-TXKKKEFDSA-N 1 1 347.415 0.738 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N2C(=O)NC3(CCC(C(=O)OC)CC3)C2=O)C1 ZINC000925326465 754565276 /nfs/dbraw/zinc/56/52/76/754565276.db2.gz QPSIKSCMKRZQIM-TXKKKEFDSA-N 1 1 347.415 0.738 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]21 ZINC001009188172 754629709 /nfs/dbraw/zinc/62/97/09/754629709.db2.gz FVIOMSCYIKKCTO-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]21 ZINC001009188172 754629715 /nfs/dbraw/zinc/62/97/15/754629715.db2.gz FVIOMSCYIKKCTO-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cnco3)C[C@H]21 ZINC001009194995 754638657 /nfs/dbraw/zinc/63/86/57/754638657.db2.gz YWNPQRHPVMBTFV-XQLPTFJDSA-N 1 1 342.399 0.206 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cnco3)C[C@H]21 ZINC001009194995 754638663 /nfs/dbraw/zinc/63/86/63/754638663.db2.gz YWNPQRHPVMBTFV-XQLPTFJDSA-N 1 1 342.399 0.206 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001009229897 754686319 /nfs/dbraw/zinc/68/63/19/754686319.db2.gz FCCNSEAXWZUTGN-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001009229897 754686322 /nfs/dbraw/zinc/68/63/22/754686322.db2.gz FCCNSEAXWZUTGN-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001060008175 754697785 /nfs/dbraw/zinc/69/77/85/754697785.db2.gz UQWWLMKAXVMPOZ-PBHICJAKSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001060008175 754697790 /nfs/dbraw/zinc/69/77/90/754697790.db2.gz UQWWLMKAXVMPOZ-PBHICJAKSA-N 1 1 343.431 0.934 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001105872973 762318753 /nfs/dbraw/zinc/31/87/53/762318753.db2.gz GOXYORWWUYGYNW-LSDHHAIUSA-N 1 1 331.420 0.717 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCCNC3=O)C2)nc1 ZINC001009252799 754711535 /nfs/dbraw/zinc/71/15/35/754711535.db2.gz KUULJUVHKNCCPN-GOEBONIOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)nc1 ZINC001009252799 754711539 /nfs/dbraw/zinc/71/15/39/754711539.db2.gz KUULJUVHKNCCPN-GOEBONIOSA-N 1 1 326.400 0.536 20 30 ECEDMO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1CCC(=O)N1 ZINC001009264055 754720875 /nfs/dbraw/zinc/72/08/75/754720875.db2.gz PWMIDWUZLIINAP-SJORKVTESA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCC(=O)N1 ZINC001009264055 754720879 /nfs/dbraw/zinc/72/08/79/754720879.db2.gz PWMIDWUZLIINAP-SJORKVTESA-N 1 1 325.412 0.897 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC001009275021 754732253 /nfs/dbraw/zinc/73/22/53/754732253.db2.gz LBRUARGNEOODDI-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC001009275021 754732255 /nfs/dbraw/zinc/73/22/55/754732255.db2.gz LBRUARGNEOODDI-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)nc1 ZINC001051556189 762332126 /nfs/dbraw/zinc/33/21/26/762332126.db2.gz SDOJDHPVDJZXKS-AWEZNQCLSA-N 1 1 340.387 0.616 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001028711432 754792411 /nfs/dbraw/zinc/79/24/11/754792411.db2.gz AWDAREPEWYRABJ-MSOLQXFVSA-N 1 1 333.476 0.949 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001028711429 754792560 /nfs/dbraw/zinc/79/25/60/754792560.db2.gz ARHXHHDMQZFACT-KGLIPLIRSA-N 1 1 331.407 0.967 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001009359142 754803230 /nfs/dbraw/zinc/80/32/30/754803230.db2.gz RSPIQQVDEWPJNU-HIFRSBDPSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001009359142 754803235 /nfs/dbraw/zinc/80/32/35/754803235.db2.gz RSPIQQVDEWPJNU-HIFRSBDPSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CCOCCC(=O)NCCN(CCOC)c1cc(CC)[nH+]c(C)n1 ZINC001126414986 754889719 /nfs/dbraw/zinc/88/97/19/754889719.db2.gz FYTXVPMAFPJPLH-UHFFFAOYSA-N 1 1 348.447 0.956 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000983224985 754912342 /nfs/dbraw/zinc/91/23/42/754912342.db2.gz XCBSSVUMRQRYKR-VXGBXAGGSA-N 1 1 333.392 0.474 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990286113 754921894 /nfs/dbraw/zinc/92/18/94/754921894.db2.gz AXWJODAZMXAXCX-WBVHZDCISA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990286113 754921896 /nfs/dbraw/zinc/92/18/96/754921896.db2.gz AXWJODAZMXAXCX-WBVHZDCISA-N 1 1 339.403 0.942 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H]2CCNC2=O)CC3)c[nH]1 ZINC000990288327 754925555 /nfs/dbraw/zinc/92/55/55/754925555.db2.gz KWDKTIXRPXQPIA-VBQJREDUSA-N 1 1 327.388 0.502 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001028744575 754954000 /nfs/dbraw/zinc/95/40/00/754954000.db2.gz OMVRSUAJYAKIJW-LBPRGKRZSA-N 1 1 343.366 0.473 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001028744575 754954005 /nfs/dbraw/zinc/95/40/05/754954005.db2.gz OMVRSUAJYAKIJW-LBPRGKRZSA-N 1 1 343.366 0.473 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)nn1 ZINC001098689692 755182157 /nfs/dbraw/zinc/18/21/57/755182157.db2.gz AFKDFPRAPUJXIB-MRXNPFEDSA-N 1 1 343.435 0.841 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)c[nH]1 ZINC001075709197 755192835 /nfs/dbraw/zinc/19/28/35/755192835.db2.gz APHXGUVJLRHXJG-TUKIKUTGSA-N 1 1 327.388 0.311 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000990525026 755330441 /nfs/dbraw/zinc/33/04/41/755330441.db2.gz NKVCWDPBEPDKTQ-HNNXBMFYSA-N 1 1 331.420 0.320 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)COCC1CC1 ZINC001075725336 755366350 /nfs/dbraw/zinc/36/63/50/755366350.db2.gz LNPHKCLBCVCBGL-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)COCC1CC1 ZINC001075725336 755366356 /nfs/dbraw/zinc/36/63/56/755366356.db2.gz LNPHKCLBCVCBGL-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccncn3)C2)C1=O ZINC001028879113 755372104 /nfs/dbraw/zinc/37/21/04/755372104.db2.gz FJKJVKSXQULDDL-ZFWWWQNUSA-N 1 1 329.404 0.315 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001028899386 755433111 /nfs/dbraw/zinc/43/31/11/755433111.db2.gz JBFYEIAMYRJSNL-CABCVRRESA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3nocc3C)C2)C1=O ZINC001028911439 755460965 /nfs/dbraw/zinc/46/09/65/755460965.db2.gz FDWPNGLZOFYXAL-ZIAGYGMSSA-N 1 1 332.404 0.822 20 30 ECEDMO C=C[C@@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)c1ccccc1 ZINC000990620549 755507200 /nfs/dbraw/zinc/50/72/00/755507200.db2.gz BTMXRYUUMMRRKW-SJORKVTESA-N 1 1 343.427 0.614 20 30 ECEDMO C=C[C@@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)c1ccccc1 ZINC000990620549 755507203 /nfs/dbraw/zinc/50/72/03/755507203.db2.gz BTMXRYUUMMRRKW-SJORKVTESA-N 1 1 343.427 0.614 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC1CCOCC1 ZINC001075987315 755570772 /nfs/dbraw/zinc/57/07/72/755570772.db2.gz OEXBYZWJYKAQKU-RDJZCZTQSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC1CCOCC1 ZINC001075987315 755570777 /nfs/dbraw/zinc/57/07/77/755570777.db2.gz OEXBYZWJYKAQKU-RDJZCZTQSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC001088769984 755619718 /nfs/dbraw/zinc/61/97/18/755619718.db2.gz QWXOUJZKCWOQCF-OCCSQVGLSA-N 1 1 325.376 0.273 20 30 ECEDMO C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC2(CCN(CC#N)CC2)O1 ZINC001098656166 755667814 /nfs/dbraw/zinc/66/78/14/755667814.db2.gz QATPPHWRNAUUBF-HOTGVXAUSA-N 1 1 334.464 0.934 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(C)n3C)C2)C1=O ZINC001010185529 755776406 /nfs/dbraw/zinc/77/64/06/755776406.db2.gz LNQQMRYMZNHVFU-GDBMZVCRSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C)n3C)C2)C1=O ZINC001010185529 755776408 /nfs/dbraw/zinc/77/64/08/755776408.db2.gz LNQQMRYMZNHVFU-GDBMZVCRSA-N 1 1 330.432 0.925 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cccnc3)c2)[C@@H](O)C1 ZINC001083520350 755875947 /nfs/dbraw/zinc/87/59/47/755875947.db2.gz FPYQWIATHMBUGF-CVEARBPZSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cccnc3)c2)[C@@H](O)C1 ZINC001083520350 755875952 /nfs/dbraw/zinc/87/59/52/755875952.db2.gz FPYQWIATHMBUGF-CVEARBPZSA-N 1 1 327.388 0.618 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088828557 755959794 /nfs/dbraw/zinc/95/97/94/755959794.db2.gz NMAGRXRQOTUYPO-ONERCXAPSA-N 1 1 345.378 0.458 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088828557 755959796 /nfs/dbraw/zinc/95/97/96/755959796.db2.gz NMAGRXRQOTUYPO-ONERCXAPSA-N 1 1 345.378 0.458 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001126916028 755981449 /nfs/dbraw/zinc/98/14/49/755981449.db2.gz MDCQUGDFVVLPJX-AWEZNQCLSA-N 1 1 333.436 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)[C@@H](O)C1 ZINC001083537479 755981456 /nfs/dbraw/zinc/98/14/56/755981456.db2.gz YCGHPDNDIHUPBD-WCVJEAGWSA-N 1 1 334.420 0.235 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)[C@@H](O)C1 ZINC001083537479 755981458 /nfs/dbraw/zinc/98/14/58/755981458.db2.gz YCGHPDNDIHUPBD-WCVJEAGWSA-N 1 1 334.420 0.235 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)c3ccccc32)[C@@H](O)C1 ZINC001083538114 755985922 /nfs/dbraw/zinc/98/59/22/755985922.db2.gz HQYKFLVXUDZUTB-JZXOWHBKSA-N 1 1 327.428 0.795 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)c3ccccc32)[C@@H](O)C1 ZINC001083538114 755985926 /nfs/dbraw/zinc/98/59/26/755985926.db2.gz HQYKFLVXUDZUTB-JZXOWHBKSA-N 1 1 327.428 0.795 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001076057933 756042586 /nfs/dbraw/zinc/04/25/86/756042586.db2.gz IVAXMNCKIYQSSB-JJXSEGSLSA-N 1 1 335.448 0.908 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001076076381 756062225 /nfs/dbraw/zinc/06/22/25/756062225.db2.gz NFYBYQOXCQGZNE-LBPRGKRZSA-N 1 1 331.420 0.995 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4csnn4)[C@@H]3C2)C1=O ZINC001076095921 756081663 /nfs/dbraw/zinc/08/16/63/756081663.db2.gz UAWVHXLBHBJKKL-IACUBPJLSA-N 1 1 347.444 0.471 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)c1 ZINC001010482390 756172646 /nfs/dbraw/zinc/17/26/46/756172646.db2.gz XWSDABMJTXXKJE-XJKSGUPXSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)c1 ZINC001010482390 756172648 /nfs/dbraw/zinc/17/26/48/756172648.db2.gz XWSDABMJTXXKJE-XJKSGUPXSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cncc(F)c3)C2)C1=O ZINC001010512060 756196981 /nfs/dbraw/zinc/19/69/81/756196981.db2.gz KWRKHYVBTHSRDV-GJZGRUSLSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cncc(F)c3)C2)C1=O ZINC001010512060 756196983 /nfs/dbraw/zinc/19/69/83/756196983.db2.gz KWRKHYVBTHSRDV-GJZGRUSLSA-N 1 1 332.379 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cccnc2)C1 ZINC000990848956 756197308 /nfs/dbraw/zinc/19/73/08/756197308.db2.gz WICYFJZGFOEOMR-INIZCTEOSA-N 1 1 326.400 0.049 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cccnc2)C1 ZINC000990848956 756197310 /nfs/dbraw/zinc/19/73/10/756197310.db2.gz WICYFJZGFOEOMR-INIZCTEOSA-N 1 1 326.400 0.049 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)c1 ZINC001076196562 756203025 /nfs/dbraw/zinc/20/30/25/756203025.db2.gz KEODWKQZFXABBH-HRCADAONSA-N 1 1 339.399 0.272 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001076217742 756221020 /nfs/dbraw/zinc/22/10/20/756221020.db2.gz GNCONOSIOVDQGO-NSHDSACASA-N 1 1 328.376 0.716 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001010540691 756221654 /nfs/dbraw/zinc/22/16/54/756221654.db2.gz BBMZAXDOVMYAIV-ZIAGYGMSSA-N 1 1 330.388 0.378 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001010540691 756221659 /nfs/dbraw/zinc/22/16/59/756221659.db2.gz BBMZAXDOVMYAIV-ZIAGYGMSSA-N 1 1 330.388 0.378 20 30 ECEDMO C[C@H]([NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1nnnn1C1CC1 ZINC001051608643 762457547 /nfs/dbraw/zinc/45/75/47/762457547.db2.gz GRXRHGPJRRGEHI-WFASDCNBSA-N 1 1 344.419 0.299 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076315786 756344324 /nfs/dbraw/zinc/34/43/24/756344324.db2.gz RAPAQLFNZOEHSO-RRFJBIMHSA-N 1 1 326.462 0.920 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)[nH]1 ZINC001010658309 756360670 /nfs/dbraw/zinc/36/06/70/756360670.db2.gz RMJHYGHMZUCQAL-GXTWGEPZSA-N 1 1 329.404 0.607 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)c1 ZINC001010668142 756373590 /nfs/dbraw/zinc/37/35/90/756373590.db2.gz KAPNMYJSXPMFGO-QGZVFWFLSA-N 1 1 328.416 0.581 20 30 ECEDMO CC(C)n1ncnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051610998 762463104 /nfs/dbraw/zinc/46/31/04/762463104.db2.gz GTJZYHFRGXCOIA-HNNXBMFYSA-N 1 1 331.420 0.589 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)c[nH]1 ZINC001010688554 756400396 /nfs/dbraw/zinc/40/03/96/756400396.db2.gz IVEZWNCNCMAVSY-DGCLKSJQSA-N 1 1 336.417 0.125 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)c[nH]1 ZINC001010688554 756400401 /nfs/dbraw/zinc/40/04/01/756400401.db2.gz IVEZWNCNCMAVSY-DGCLKSJQSA-N 1 1 336.417 0.125 20 30 ECEDMO Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010698571 756414272 /nfs/dbraw/zinc/41/42/72/756414272.db2.gz PGNMIVGUDPRMMA-CYBMUJFWSA-N 1 1 345.428 0.922 20 30 ECEDMO Cc1csc(=O)n1CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010698571 756414277 /nfs/dbraw/zinc/41/42/77/756414277.db2.gz PGNMIVGUDPRMMA-CYBMUJFWSA-N 1 1 345.428 0.922 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)[C@@H]2C1 ZINC001076366693 756425960 /nfs/dbraw/zinc/42/59/60/756425960.db2.gz DUJRMUODAMVOND-UONOGXRCSA-N 1 1 332.404 0.036 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010756734 756485489 /nfs/dbraw/zinc/48/54/89/756485489.db2.gz ZEOFIJOZZRHATN-QGZVFWFLSA-N 1 1 326.400 0.727 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CC3OCCCO3)C2)C1=O ZINC001010761972 756492462 /nfs/dbraw/zinc/49/24/62/756492462.db2.gz WVOWNGJZHCVGTF-KBPBESRZSA-N 1 1 337.420 0.117 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC3OCCCO3)C2)C1=O ZINC001010761972 756492468 /nfs/dbraw/zinc/49/24/68/756492468.db2.gz WVOWNGJZHCVGTF-KBPBESRZSA-N 1 1 337.420 0.117 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076441270 756519543 /nfs/dbraw/zinc/51/95/43/756519543.db2.gz SSDDWWVUXWWIFP-OFQRWUPVSA-N 1 1 329.404 0.409 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC(F)(F)F)n2)[C@@H](O)C1 ZINC001083548994 756601179 /nfs/dbraw/zinc/60/11/79/756601179.db2.gz MOHFNIWFJMWFRT-NEPJUHHUSA-N 1 1 330.310 0.244 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001076511625 756606776 /nfs/dbraw/zinc/60/67/76/756606776.db2.gz AULRMPYBTJGLHG-VGWMRTNUSA-N 1 1 337.464 0.766 20 30 ECEDMO C=C1CCC(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001010873501 756626196 /nfs/dbraw/zinc/62/61/96/756626196.db2.gz YQSRNLZATMGEHV-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C1CCC(C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001010873501 756626199 /nfs/dbraw/zinc/62/61/99/756626199.db2.gz YQSRNLZATMGEHV-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001076575784 756664694 /nfs/dbraw/zinc/66/46/94/756664694.db2.gz HVEORVNZKCSFCS-KBPBESRZSA-N 1 1 348.451 0.431 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)[nH]1 ZINC000990889099 756664717 /nfs/dbraw/zinc/66/47/17/756664717.db2.gz YRVLTBIIOMWUST-IUODEOHRSA-N 1 1 341.415 0.701 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990893719 756723093 /nfs/dbraw/zinc/72/30/93/756723093.db2.gz UBFIQNJHGBHBJA-OAHLLOKOSA-N 1 1 329.404 0.700 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)nn2)C1 ZINC001060129906 756825927 /nfs/dbraw/zinc/82/59/27/756825927.db2.gz XLRJQBMBNOBMCU-LSDHHAIUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)nn2)C1 ZINC001060129906 756825933 /nfs/dbraw/zinc/82/59/33/756825933.db2.gz XLRJQBMBNOBMCU-LSDHHAIUSA-N 1 1 344.419 0.154 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)N(CCOC)C3)CCC[C@H]12 ZINC000990934730 756907557 /nfs/dbraw/zinc/90/75/57/756907557.db2.gz KBYLQKPFTGCSIV-RVKKMQEKSA-N 1 1 335.448 0.781 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12 ZINC000991658415 762503451 /nfs/dbraw/zinc/50/34/51/762503451.db2.gz UBYCEMQFMSKKOJ-DYVFJYSZSA-N 1 1 330.388 0.085 20 30 ECEDMO CCn1nnc(C)c1C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810456 757067826 /nfs/dbraw/zinc/06/78/26/757067826.db2.gz NLBSZVZIWAUOSI-IYBDPMFKSA-N 1 1 327.432 0.910 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001048810212 757067876 /nfs/dbraw/zinc/06/78/76/757067876.db2.gz INWARVHINZMGEE-HRCADAONSA-N 1 1 336.457 0.225 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)C1=O ZINC001048810139 757067952 /nfs/dbraw/zinc/06/79/52/757067952.db2.gz GDULNXIKGDAMIX-IXDOHACOSA-N 1 1 327.428 0.577 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1O ZINC001048813862 757080004 /nfs/dbraw/zinc/08/00/04/757080004.db2.gz ONGWTVDWTQFFIQ-IKGGRYGDSA-N 1 1 349.475 0.549 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3nnc[nH]3)nn2)C1 ZINC001107153210 757115728 /nfs/dbraw/zinc/11/57/28/757115728.db2.gz XVQVGTHBLGGYBM-UHFFFAOYSA-N 1 1 330.396 0.078 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001048824951 757116311 /nfs/dbraw/zinc/11/63/11/757116311.db2.gz QBCUZVJSCNDLKP-IKGGRYGDSA-N 1 1 347.459 0.303 20 30 ECEDMO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001048832950 757139136 /nfs/dbraw/zinc/13/91/36/757139136.db2.gz ZVBOXPIPLVYUDB-PMPSAXMXSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc[nH]c4)C[C@H]3C2)C1=O ZINC001048836416 757142132 /nfs/dbraw/zinc/14/21/32/757142132.db2.gz XQAKWRMKKIBRQW-OWCLPIDISA-N 1 1 328.416 0.805 20 30 ECEDMO Cn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076799289 757178076 /nfs/dbraw/zinc/17/80/76/757178076.db2.gz QIEQHFUIUTVIMY-GDBMZVCRSA-N 1 1 325.372 0.267 20 30 ECEDMO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076799289 757178085 /nfs/dbraw/zinc/17/80/85/757178085.db2.gz QIEQHFUIUTVIMY-GDBMZVCRSA-N 1 1 325.372 0.267 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CCCCOC)C2)nn1 ZINC001107169302 757205442 /nfs/dbraw/zinc/20/54/42/757205442.db2.gz BDZDYNXNRBZEKX-CQSZACIVSA-N 1 1 349.435 0.216 20 30 ECEDMO CCOCCC[NH+]1CC(n2cc(CNC(=O)C#CC(C)C)nn2)C1 ZINC001107169417 757206751 /nfs/dbraw/zinc/20/67/51/757206751.db2.gz GUNVJMHABQJYRI-UHFFFAOYSA-N 1 1 333.436 0.837 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@H]2C1 ZINC001048860737 757207977 /nfs/dbraw/zinc/20/79/77/757207977.db2.gz CFPCDVCKHJVNAV-BBWFWOEESA-N 1 1 331.464 0.780 20 30 ECEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048861465 757210025 /nfs/dbraw/zinc/21/00/25/757210025.db2.gz HXDAGYVTPBPAOG-ILXRZTDVSA-N 1 1 337.464 0.713 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3cnn(C)c3)C[C@H]2C1 ZINC001048869767 757236821 /nfs/dbraw/zinc/23/68/21/757236821.db2.gz DLBMKNOEJBLZOT-XDNAFOTISA-N 1 1 342.443 0.911 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCc1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001107175587 757251749 /nfs/dbraw/zinc/25/17/49/757251749.db2.gz OVNIGEIEWLEZCG-SNVBAGLBSA-N 1 1 341.843 0.911 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076812912 757259529 /nfs/dbraw/zinc/25/95/29/757259529.db2.gz XQHNDVYOWPHBLU-BRWVUGGUSA-N 1 1 328.416 0.314 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12 ZINC000990998687 757306100 /nfs/dbraw/zinc/30/61/00/757306100.db2.gz PTLNOLUHTAYJQL-UKRRQHHQSA-N 1 1 327.450 0.321 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001011262619 757324642 /nfs/dbraw/zinc/32/46/42/757324642.db2.gz ZUJSXFCCVPRAQB-HNNXBMFYSA-N 1 1 347.463 0.696 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001048920021 757413690 /nfs/dbraw/zinc/41/36/90/757413690.db2.gz GIHCCSAMLZIOHL-WCVJEAGWSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cn(C)nn3)C(C)(C)C2)nn1 ZINC000996387797 757513430 /nfs/dbraw/zinc/51/34/30/757513430.db2.gz FGQVGGOAFHRCIX-AWEZNQCLSA-N 1 1 344.423 0.233 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)C[C@H]2C1 ZINC001048971374 757553838 /nfs/dbraw/zinc/55/38/38/757553838.db2.gz MGBZTXJJISQLFM-BETUJISGSA-N 1 1 342.407 0.274 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)c[nH]1 ZINC001076906339 757558744 /nfs/dbraw/zinc/55/87/44/757558744.db2.gz WMSIJKSQXJONEQ-IAGOWNOFSA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)c[nH]1 ZINC001076906339 757558749 /nfs/dbraw/zinc/55/87/49/757558749.db2.gz WMSIJKSQXJONEQ-IAGOWNOFSA-N 1 1 335.367 0.733 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@H]3C2)cc1 ZINC001048972910 757559470 /nfs/dbraw/zinc/55/94/70/757559470.db2.gz BBLAAGIDTWNTNM-HDICACEKSA-N 1 1 337.423 0.904 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048978079 757584219 /nfs/dbraw/zinc/58/42/19/757584219.db2.gz USZNZNNCVDUYBW-OKILXGFUSA-N 1 1 333.432 0.738 20 30 ECEDMO CCc1nc(C#N)cc(NC/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001107199453 757586538 /nfs/dbraw/zinc/58/65/38/757586538.db2.gz CYIZEZJIAIIRGI-ZFDPJTLLSA-N 1 1 328.420 0.947 20 30 ECEDMO CCc1nc(C#N)cc(NC/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001107199451 757587152 /nfs/dbraw/zinc/58/71/52/757587152.db2.gz CYIZEZJIAIIRGI-IHVVCDCBSA-N 1 1 328.420 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@H]3C2)C1=O ZINC001048996165 757638743 /nfs/dbraw/zinc/63/87/43/757638743.db2.gz KXIZKLFNDZLGSH-QROFKTNTSA-N 1 1 345.443 0.056 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)CCc3cnc[nH]3)C[C@H]21 ZINC001021593727 757658255 /nfs/dbraw/zinc/65/82/55/757658255.db2.gz NLXARLJFFMCBDX-GOEBONIOSA-N 1 1 326.400 0.815 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNc2nccnc2C#N)C1 ZINC001107210032 757689380 /nfs/dbraw/zinc/68/93/80/757689380.db2.gz BNDVAWZVBJVWPH-XGACYXMMSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2nccnc2C#N)C1 ZINC001107210032 757689382 /nfs/dbraw/zinc/68/93/82/757689382.db2.gz BNDVAWZVBJVWPH-XGACYXMMSA-N 1 1 330.392 0.153 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021617580 757690816 /nfs/dbraw/zinc/69/08/16/757690816.db2.gz VYYWCSQLZWQUCD-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ncccc2C#N)C1 ZINC001107210507 757692965 /nfs/dbraw/zinc/69/29/65/757692965.db2.gz LEJJAQPRJFTLJZ-BWPKMQGJSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ncccc2C#N)C1 ZINC001107210507 757692968 /nfs/dbraw/zinc/69/29/68/757692968.db2.gz LEJJAQPRJFTLJZ-BWPKMQGJSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNc2nc(C)cc(C#N)n2)C1 ZINC001107210540 757693038 /nfs/dbraw/zinc/69/30/38/757693038.db2.gz LXNGVXALEMTUGD-RGDDUWESSA-N 1 1 344.419 0.462 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2nc(C)cc(C#N)n2)C1 ZINC001107210540 757693041 /nfs/dbraw/zinc/69/30/41/757693041.db2.gz LXNGVXALEMTUGD-RGDDUWESSA-N 1 1 344.419 0.462 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)C[C@H](C)CC)C[C@@H]1O ZINC001049019120 757709748 /nfs/dbraw/zinc/70/97/48/757709748.db2.gz FOEQXECPKFCGPI-QZWWFDLISA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)C[C@H](C)CC)C[C@@H]1O ZINC001049019120 757709750 /nfs/dbraw/zinc/70/97/50/757709750.db2.gz FOEQXECPKFCGPI-QZWWFDLISA-N 1 1 349.475 0.550 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]2C1 ZINC001049026436 757729298 /nfs/dbraw/zinc/72/92/98/757729298.db2.gz PSRLBGHTUFMEGR-IIYDPXPESA-N 1 1 333.436 0.601 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]2C1 ZINC001049026436 757729305 /nfs/dbraw/zinc/72/93/05/757729305.db2.gz PSRLBGHTUFMEGR-IIYDPXPESA-N 1 1 333.436 0.601 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccoc2CC(N)=O)C1 ZINC001021657782 757746329 /nfs/dbraw/zinc/74/63/29/757746329.db2.gz IITGSNNENLFCEQ-DZGCQCFKSA-N 1 1 329.400 0.867 20 30 ECEDMO C=CCC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001107219323 757835924 /nfs/dbraw/zinc/83/59/24/757835924.db2.gz QJQUPIUJMXTZSD-LLVKDONJSA-N 1 1 330.396 0.538 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001049068055 757868105 /nfs/dbraw/zinc/86/81/05/757868105.db2.gz IVMGLGZDJDMSRU-LJIZCISZSA-N 1 1 335.448 0.444 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@H]2C1 ZINC001049074257 757887000 /nfs/dbraw/zinc/88/70/00/757887000.db2.gz WTXORDPSPOLVDH-SOUVJXGZSA-N 1 1 328.420 0.039 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)n2C)C1 ZINC001021739069 757887012 /nfs/dbraw/zinc/88/70/12/757887012.db2.gz GHWFHVKPARMBNB-LSDHHAIUSA-N 1 1 330.432 0.674 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CCO)CC[C@@H]32)CC1 ZINC001021738707 757887440 /nfs/dbraw/zinc/88/74/40/757887440.db2.gz CVDGVNHFSIXPGZ-MSOLQXFVSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCO)CC[C@@H]32)CC1 ZINC001021738707 757887452 /nfs/dbraw/zinc/88/74/52/757887452.db2.gz CVDGVNHFSIXPGZ-MSOLQXFVSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001021747628 757897169 /nfs/dbraw/zinc/89/71/69/757897169.db2.gz YQKMLGYMKMKDAA-GDBMZVCRSA-N 1 1 326.400 0.740 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077016205 757970262 /nfs/dbraw/zinc/97/02/62/757970262.db2.gz FMOSNDUGMWXAGZ-FPCVCCKLSA-N 1 1 334.420 0.026 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077016205 757970267 /nfs/dbraw/zinc/97/02/67/757970267.db2.gz FMOSNDUGMWXAGZ-FPCVCCKLSA-N 1 1 334.420 0.026 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccnn3C3CCOCC3)C[C@H]2C1 ZINC001049105234 757971025 /nfs/dbraw/zinc/97/10/25/757971025.db2.gz DXUGBPDLDVDYKF-GASCZTMLSA-N 1 1 328.416 0.872 20 30 ECEDMO C=CCCN1CC(n2cc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107229101 757990184 /nfs/dbraw/zinc/99/01/84/757990184.db2.gz CEMBGPTVUFJVLQ-AWEZNQCLSA-N 1 1 332.452 0.669 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@H]2C1 ZINC001049112121 757992340 /nfs/dbraw/zinc/99/23/40/757992340.db2.gz FFXDOAAPOIJXRU-GASCZTMLSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@H]2C1 ZINC001049112121 757992344 /nfs/dbraw/zinc/99/23/44/757992344.db2.gz FFXDOAAPOIJXRU-GASCZTMLSA-N 1 1 338.473 0.757 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC001049113481 757996791 /nfs/dbraw/zinc/99/67/91/757996791.db2.gz GHWNOOAROBYPCR-TXEJJXNPSA-N 1 1 325.796 0.182 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@H]2C1 ZINC001049116780 758013119 /nfs/dbraw/zinc/01/31/19/758013119.db2.gz BUFREHJUUWUFMI-GASCZTMLSA-N 1 1 346.431 0.283 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001077047232 758036055 /nfs/dbraw/zinc/03/60/55/758036055.db2.gz AGPCEKAXCPXGNK-QLFBSQMISA-N 1 1 335.448 0.208 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]2C1 ZINC001049129311 758062356 /nfs/dbraw/zinc/06/23/56/758062356.db2.gz DVMABEKRUFHILF-BETUJISGSA-N 1 1 332.404 0.705 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4ncc[nH]4)C[C@H]3C2)C1=O ZINC001049131874 758071106 /nfs/dbraw/zinc/07/11/06/758071106.db2.gz SPXFVUXUSUHTMI-QLFBSQMISA-N 1 1 343.431 0.129 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CCn3cnccc3=O)C[C@H]2C1 ZINC001049140008 758106064 /nfs/dbraw/zinc/10/60/64/758106064.db2.gz FXZASJQMKOVJFT-OKILXGFUSA-N 1 1 336.823 0.776 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001049145182 758118243 /nfs/dbraw/zinc/11/82/43/758118243.db2.gz LMWSCTBTUZEAPW-HOTGVXAUSA-N 1 1 337.464 0.552 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001077084916 758120296 /nfs/dbraw/zinc/12/02/96/758120296.db2.gz ZODZUJMPIZXNFD-FVQBIDKESA-N 1 1 337.464 0.761 20 30 ECEDMO COCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001021980997 758124207 /nfs/dbraw/zinc/12/42/07/758124207.db2.gz HFEAJLVIXHCDRG-PHIMTYICSA-N 1 1 330.348 0.466 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1 ZINC001077093262 758149267 /nfs/dbraw/zinc/14/92/67/758149267.db2.gz FNYJPJYTRHUQLL-HZPDHXFCSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]2C1 ZINC001049154500 758150921 /nfs/dbraw/zinc/15/09/21/758150921.db2.gz WUHAXDBRLFIWRN-BETUJISGSA-N 1 1 334.420 0.283 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049158787 758167712 /nfs/dbraw/zinc/16/77/12/758167712.db2.gz DHZKZERAJZNYIL-ZNMIVQPWSA-N 1 1 331.420 0.819 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049160059 758172460 /nfs/dbraw/zinc/17/24/60/758172460.db2.gz SRZQMCZRERLNTA-QLFBSQMISA-N 1 1 329.404 0.267 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@H]2C1 ZINC001049166335 758194912 /nfs/dbraw/zinc/19/49/12/758194912.db2.gz XBMDEJXSIXQQDA-OKILXGFUSA-N 1 1 326.404 1.000 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@H]2C1 ZINC001049166335 758194919 /nfs/dbraw/zinc/19/49/19/758194919.db2.gz XBMDEJXSIXQQDA-OKILXGFUSA-N 1 1 326.404 1.000 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@H]2C1 ZINC001049166335 758194925 /nfs/dbraw/zinc/19/49/25/758194925.db2.gz XBMDEJXSIXQQDA-OKILXGFUSA-N 1 1 326.404 1.000 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 ZINC001077110538 758196965 /nfs/dbraw/zinc/19/69/65/758196965.db2.gz WWVKXILOCHZVII-YNEHKIRRSA-N 1 1 336.440 0.269 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CNC(=O)C3CC3)CCC[C@@H]12 ZINC001107300484 758202201 /nfs/dbraw/zinc/20/22/01/758202201.db2.gz VKLFESFCKOPISH-VQIMIIECSA-N 1 1 347.459 0.523 20 30 ECEDMO C#CCCCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001049176324 758228852 /nfs/dbraw/zinc/22/88/52/758228852.db2.gz NPUDUXGTTOIIBF-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001011660733 758232742 /nfs/dbraw/zinc/23/27/42/758232742.db2.gz CIXSEYWHKKJVNN-JSGCOSHPSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCOCC1 ZINC001077123730 758249400 /nfs/dbraw/zinc/24/94/00/758249400.db2.gz ANRBNBVSGLBVQE-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCOCC1 ZINC001077123730 758249415 /nfs/dbraw/zinc/24/94/15/758249415.db2.gz ANRBNBVSGLBVQE-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccncc1F ZINC001077123919 758250882 /nfs/dbraw/zinc/25/08/82/758250882.db2.gz GFBZORHXEVAYJM-BBRMVZONSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccncc1F ZINC001077123919 758250896 /nfs/dbraw/zinc/25/08/96/758250896.db2.gz GFBZORHXEVAYJM-BBRMVZONSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1=COCCC1 ZINC001077124006 758251710 /nfs/dbraw/zinc/25/17/10/758251710.db2.gz JIAUUWAHCQYWEV-HOCLYGCPSA-N 1 1 333.432 0.789 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1=COCCC1 ZINC001077124006 758251713 /nfs/dbraw/zinc/25/17/13/758251713.db2.gz JIAUUWAHCQYWEV-HOCLYGCPSA-N 1 1 333.432 0.789 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3nccnc3N)CCC[C@@H]12 ZINC001107332281 758276650 /nfs/dbraw/zinc/27/66/50/758276650.db2.gz VXBBPUJDCIYMEN-RDTXWAMCSA-N 1 1 343.431 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ccon1 ZINC001077124300 758283161 /nfs/dbraw/zinc/28/31/61/758283161.db2.gz RFHDGOZAEMLRGN-ZFWWWQNUSA-N 1 1 332.404 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ccon1 ZINC001077124300 758283173 /nfs/dbraw/zinc/28/31/73/758283173.db2.gz RFHDGOZAEMLRGN-ZFWWWQNUSA-N 1 1 332.404 0.326 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnn(CC)c1 ZINC001077124277 758283276 /nfs/dbraw/zinc/28/32/76/758283276.db2.gz QGMFWLMPGMNGMV-HOCLYGCPSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnn(CC)c1 ZINC001077124277 758283284 /nfs/dbraw/zinc/28/32/84/758283284.db2.gz QGMFWLMPGMNGMV-HOCLYGCPSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(CC)n[nH]1 ZINC001077124584 758284376 /nfs/dbraw/zinc/28/43/76/758284376.db2.gz ZBSHXMZNVFZQOQ-BBRMVZONSA-N 1 1 345.447 0.694 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(CC)n[nH]1 ZINC001077124584 758284388 /nfs/dbraw/zinc/28/43/88/758284388.db2.gz ZBSHXMZNVFZQOQ-BBRMVZONSA-N 1 1 345.447 0.694 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1conc1C ZINC001077125120 758288773 /nfs/dbraw/zinc/28/87/73/758288773.db2.gz OFVFTJKIKAEQFZ-WFASDCNBSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1conc1C ZINC001077125120 758288782 /nfs/dbraw/zinc/28/87/82/758288782.db2.gz OFVFTJKIKAEQFZ-WFASDCNBSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C(C)(C)COC ZINC001077125086 758289094 /nfs/dbraw/zinc/28/90/94/758289094.db2.gz MKTLDRVNXSCBMV-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C(C)(C)COC ZINC001077125086 758289101 /nfs/dbraw/zinc/28/91/01/758289101.db2.gz MKTLDRVNXSCBMV-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CCc3cnc[nH]3)CC2)C1=O ZINC000996650469 758308599 /nfs/dbraw/zinc/30/85/99/758308599.db2.gz IUXSOODECXDYNX-MRXNPFEDSA-N 1 1 345.447 0.710 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3c(C)c(C)sc3=O)C[C@H]2C1 ZINC001049232109 758392940 /nfs/dbraw/zinc/39/29/40/758392940.db2.gz RIYGSORSMBKAKF-GASCZTMLSA-N 1 1 333.457 0.940 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc3ncn(C)c32)C1 ZINC001077167040 758399638 /nfs/dbraw/zinc/39/96/38/758399638.db2.gz XOSGXLHZUUAWJO-HUUCEWRRSA-N 1 1 329.404 0.709 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@](C)(O)C=C)CCC[C@@H]12 ZINC001107377597 758405637 /nfs/dbraw/zinc/40/56/37/758405637.db2.gz UZPPHMSEZZQLNR-ATZDWAIDSA-N 1 1 349.475 0.977 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1O ZINC001049246170 758424108 /nfs/dbraw/zinc/42/41/08/758424108.db2.gz NDYBZWCBMGCQEF-HOTGVXAUSA-N 1 1 337.464 0.552 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3n[nH]cc3C)CCC[C@@H]12 ZINC001107396451 758458580 /nfs/dbraw/zinc/45/85/80/758458580.db2.gz BMANWHCQXDERPL-RDTXWAMCSA-N 1 1 345.447 0.995 20 30 ECEDMO NC(=O)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001049383433 758605072 /nfs/dbraw/zinc/60/50/72/758605072.db2.gz RSPARKLHIPLWJD-IRXDYDNUSA-N 1 1 325.412 0.979 20 30 ECEDMO NC(=O)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001049383429 758605634 /nfs/dbraw/zinc/60/56/34/758605634.db2.gz RSPARKLHIPLWJD-DLBZAZTESA-N 1 1 325.412 0.979 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC/C=C/CNc2ccnc(C#N)n2)C1 ZINC001107465450 758623463 /nfs/dbraw/zinc/62/34/63/758623463.db2.gz BLNAJWKWPWMQLZ-NHZBNJEXSA-N 1 1 342.447 0.976 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCn2cncn2)c1 ZINC001049400540 758632359 /nfs/dbraw/zinc/63/23/59/758632359.db2.gz HKGKRWTXFZSIOB-HOTGVXAUSA-N 1 1 339.403 0.857 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCn2cncn2)c1 ZINC001049400539 758633109 /nfs/dbraw/zinc/63/31/09/758633109.db2.gz HKGKRWTXFZSIOB-CVEARBPZSA-N 1 1 339.403 0.857 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(F)c[nH]3)CCC[C@@H]12 ZINC001107475961 758652205 /nfs/dbraw/zinc/65/22/05/758652205.db2.gz ZTXMJAKCZUQNRM-CRAIPNDOSA-N 1 1 346.406 0.878 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN(C)C(=O)N3)CCC[C@@H]12 ZINC001107495067 758750179 /nfs/dbraw/zinc/75/01/79/758750179.db2.gz ILMUPQZZYOKJQT-HDMKZQKVSA-N 1 1 348.447 0.021 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)[C@@H](O)C1 ZINC001083571343 758755593 /nfs/dbraw/zinc/75/55/93/758755593.db2.gz SBZABDMODUNMNO-ZBFHGGJFSA-N 1 1 329.404 0.709 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3cccnc3)on2)C1 ZINC001077603850 758755588 /nfs/dbraw/zinc/75/55/88/758755588.db2.gz MXWIFPQUFRZDMI-HUUCEWRRSA-N 1 1 326.356 0.535 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3cccnc3)on2)C1 ZINC001077603850 758755596 /nfs/dbraw/zinc/75/55/96/758755596.db2.gz MXWIFPQUFRZDMI-HUUCEWRRSA-N 1 1 326.356 0.535 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001049474767 758778429 /nfs/dbraw/zinc/77/84/29/758778429.db2.gz RIRPCSWJJKQWHQ-KGLIPLIRSA-N 1 1 331.416 0.470 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083573579 758840323 /nfs/dbraw/zinc/84/03/23/758840323.db2.gz NRDGNSZVCXSJBI-KURKYZTESA-N 1 1 342.443 0.704 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049551104 758912276 /nfs/dbraw/zinc/91/22/76/758912276.db2.gz DVTBNYXRIUDJIG-IAGOWNOFSA-N 1 1 340.427 0.812 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049552818 758914027 /nfs/dbraw/zinc/91/40/27/758914027.db2.gz QCCMYBVRPHKZSR-SJORKVTESA-N 1 1 340.427 0.812 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049553725 758915868 /nfs/dbraw/zinc/91/58/68/758915868.db2.gz WEDBSQZYBJANMW-JKSUJKDBSA-N 1 1 326.400 0.422 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001049560098 758923022 /nfs/dbraw/zinc/92/30/22/758923022.db2.gz ZUYKUHWMJSJRIG-HZSPNIEDSA-N 1 1 331.420 0.797 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nnc(-c2ccco2)n1 ZINC001049568337 758934180 /nfs/dbraw/zinc/93/41/80/758934180.db2.gz UUCBQSSKRFSKCJ-KBPBESRZSA-N 1 1 340.387 0.632 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1OCC(N)=O ZINC001049582233 758959311 /nfs/dbraw/zinc/95/93/11/758959311.db2.gz KQKFBHYWVPXLIT-HOTGVXAUSA-N 1 1 341.411 0.863 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049614971 758996305 /nfs/dbraw/zinc/99/63/05/758996305.db2.gz GZBMXHKVIOGNHH-VVLHAWIVSA-N 1 1 335.448 0.874 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC001022719719 759041031 /nfs/dbraw/zinc/04/10/31/759041031.db2.gz AKTZDARGPDVUHV-HYVNUMGLSA-N 1 1 329.444 0.801 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC000991065139 759155323 /nfs/dbraw/zinc/15/53/23/759155323.db2.gz FBHQSPDVVAHTMP-CJNGLKHVSA-N 1 1 341.839 0.711 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC000991065139 759155327 /nfs/dbraw/zinc/15/53/27/759155327.db2.gz FBHQSPDVVAHTMP-CJNGLKHVSA-N 1 1 341.839 0.711 20 30 ECEDMO O=C(NC1CN(CC#Cc2ccccc2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001030346618 762688986 /nfs/dbraw/zinc/68/89/86/762688986.db2.gz DDNADILAHUDCPO-OALUTQOASA-N 1 1 339.439 0.702 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049788540 759209804 /nfs/dbraw/zinc/20/98/04/759209804.db2.gz NXRPNCMQDAMIJB-GJZGRUSLSA-N 1 1 344.415 0.015 20 30 ECEDMO C=CCOCC(=O)N1CCC(OC2C[NH+](CCCOC)C2)CC1 ZINC001105696665 759211183 /nfs/dbraw/zinc/21/11/83/759211183.db2.gz BHASYYIQLSTTOC-UHFFFAOYSA-N 1 1 326.437 0.917 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049827593 759262080 /nfs/dbraw/zinc/26/20/80/759262080.db2.gz XACKELGMCPDHBQ-UONOGXRCSA-N 1 1 348.447 0.958 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049827391 759262341 /nfs/dbraw/zinc/26/23/41/759262341.db2.gz VPGXFHLYSFRULC-KGLIPLIRSA-N 1 1 348.447 0.958 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001049832233 759269846 /nfs/dbraw/zinc/26/98/46/759269846.db2.gz UQJRNAFLLMVEEO-HYVNUMGLSA-N 1 1 343.431 0.942 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O ZINC001049842482 759286869 /nfs/dbraw/zinc/28/68/69/759286869.db2.gz WXXIPLORUMXPQB-KGLIPLIRSA-N 1 1 334.420 0.522 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)NC)nc1 ZINC001049853177 759304789 /nfs/dbraw/zinc/30/47/89/759304789.db2.gz ABUQQXDXZHAANG-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)NC)nc1 ZINC001049853177 759304799 /nfs/dbraw/zinc/30/47/99/759304799.db2.gz ABUQQXDXZHAANG-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC000991098719 759323459 /nfs/dbraw/zinc/32/34/59/759323459.db2.gz CLLMRHDBYAJWRK-FIXISWKDSA-N 1 1 340.811 0.450 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC000991098719 759323462 /nfs/dbraw/zinc/32/34/62/759323462.db2.gz CLLMRHDBYAJWRK-FIXISWKDSA-N 1 1 340.811 0.450 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049880741 759338746 /nfs/dbraw/zinc/33/87/46/759338746.db2.gz DSROFUQILOPUCQ-UONOGXRCSA-N 1 1 334.420 0.570 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001047629567 759340001 /nfs/dbraw/zinc/34/00/01/759340001.db2.gz LSOQADMYESTAGM-KBPBESRZSA-N 1 1 338.839 0.680 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001047634275 759360031 /nfs/dbraw/zinc/36/00/31/759360031.db2.gz ALGDISZAVGVTDJ-GJZGRUSLSA-N 1 1 347.463 0.705 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001047634197 759360139 /nfs/dbraw/zinc/36/01/39/759360139.db2.gz ZFAVCACLGITXQQ-IRXDYDNUSA-N 1 1 331.416 0.626 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001047634197 759360152 /nfs/dbraw/zinc/36/01/52/759360152.db2.gz ZFAVCACLGITXQQ-IRXDYDNUSA-N 1 1 331.416 0.626 20 30 ECEDMO Cc1ccc(C#N)c(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001125000437 759367725 /nfs/dbraw/zinc/36/77/25/759367725.db2.gz KLIDSSAURRYJPR-HOTGVXAUSA-N 1 1 345.447 0.611 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001047638906 759378377 /nfs/dbraw/zinc/37/83/77/759378377.db2.gz DPYUMJUICFBQIZ-GJZGRUSLSA-N 1 1 339.399 0.612 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001047638906 759378388 /nfs/dbraw/zinc/37/83/88/759378388.db2.gz DPYUMJUICFBQIZ-GJZGRUSLSA-N 1 1 339.399 0.612 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001047639616 759380168 /nfs/dbraw/zinc/38/01/68/759380168.db2.gz ZGDWVYIHFNUDGA-KBPBESRZSA-N 1 1 339.461 0.606 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+][C@@H](CC)C(N)=O)[C@H](C)C2)CC1 ZINC001107034189 759384717 /nfs/dbraw/zinc/38/47/17/759384717.db2.gz NHMYFWKPADDPHT-OIISXLGYSA-N 1 1 348.491 0.280 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001047644531 759392521 /nfs/dbraw/zinc/39/25/21/759392521.db2.gz JXPUQAKGDAYHCX-HOTGVXAUSA-N 1 1 331.416 0.408 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C(N)=O)n1 ZINC001049914165 759396640 /nfs/dbraw/zinc/39/66/40/759396640.db2.gz ANTAYSNOZBDRKV-HOTGVXAUSA-N 1 1 326.400 0.883 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(COC)s2)C1 ZINC001047648537 759405316 /nfs/dbraw/zinc/40/53/16/759405316.db2.gz QMNOFLQAGBSVPI-RYUDHWBXSA-N 1 1 325.434 0.983 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(COC)s2)C1 ZINC001047648537 759405321 /nfs/dbraw/zinc/40/53/21/759405321.db2.gz QMNOFLQAGBSVPI-RYUDHWBXSA-N 1 1 325.434 0.983 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001047648788 759407368 /nfs/dbraw/zinc/40/73/68/759407368.db2.gz CVIKAGXJSWVJNL-KCXAZCMYSA-N 1 1 332.448 0.667 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001047648788 759407372 /nfs/dbraw/zinc/40/73/72/759407372.db2.gz CVIKAGXJSWVJNL-KCXAZCMYSA-N 1 1 332.448 0.667 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C(N)=O)cn1 ZINC001049924047 759409834 /nfs/dbraw/zinc/40/98/34/759409834.db2.gz BICJEYQURNEDPI-HZPDHXFCSA-N 1 1 326.400 0.883 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC(=O)NC1=O ZINC001049934126 759426273 /nfs/dbraw/zinc/42/62/73/759426273.db2.gz QLXCOXBRDFPCKR-FRRDWIJNSA-N 1 1 339.823 0.857 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC(=O)NC1=O ZINC001049934126 759426277 /nfs/dbraw/zinc/42/62/77/759426277.db2.gz QLXCOXBRDFPCKR-FRRDWIJNSA-N 1 1 339.823 0.857 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@@H](O)C1 ZINC001083621362 759498745 /nfs/dbraw/zinc/49/87/45/759498745.db2.gz KJASIEXSXSOTFS-CVEARBPZSA-N 1 1 347.415 0.292 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001050025917 759566627 /nfs/dbraw/zinc/56/66/27/759566627.db2.gz LHRPGJJNBIVJJG-SWLSCSKDSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001054250615 767871713 /nfs/dbraw/zinc/87/17/13/767871713.db2.gz XYDAJNGFDJZWJV-KBXCAEBGSA-N 1 1 331.416 0.377 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001050063337 759640291 /nfs/dbraw/zinc/64/02/91/759640291.db2.gz GVTDBQCVHUIDBH-UONOGXRCSA-N 1 1 341.839 0.521 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001050063337 759640296 /nfs/dbraw/zinc/64/02/96/759640296.db2.gz GVTDBQCVHUIDBH-UONOGXRCSA-N 1 1 341.839 0.521 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN(C(N)=O)C3)[C@@H]2C1 ZINC001050089103 759682626 /nfs/dbraw/zinc/68/26/26/759682626.db2.gz WKPOLYJUEIQUSR-HRCADAONSA-N 1 1 332.448 0.723 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050103194 759707939 /nfs/dbraw/zinc/70/79/39/759707939.db2.gz JQZPNYRJDQQQFL-UONOGXRCSA-N 1 1 349.460 0.802 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050104132 759710984 /nfs/dbraw/zinc/71/09/84/759710984.db2.gz PESHZIFVJGHOCD-JSGCOSHPSA-N 1 1 349.460 0.802 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)c1 ZINC001050135336 759777713 /nfs/dbraw/zinc/77/77/13/759777713.db2.gz JLMCNMXFMUEQIC-BHYGNILZSA-N 1 1 338.411 0.488 20 30 ECEDMO Cc1nc(NC/C=C\CNC(=O)[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001107093730 759898497 /nfs/dbraw/zinc/89/84/97/759898497.db2.gz MEJKYWGDJYAQNH-JZIMQPMSSA-N 1 1 329.404 0.677 20 30 ECEDMO Cc1nc(NC/C=C\CNC(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001107093730 759898506 /nfs/dbraw/zinc/89/85/06/759898506.db2.gz MEJKYWGDJYAQNH-JZIMQPMSSA-N 1 1 329.404 0.677 20 30 ECEDMO Cc1ccc(C#N)c(NC/C=C/CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001107094074 759900022 /nfs/dbraw/zinc/90/00/22/759900022.db2.gz SLLZKSUELXZPQL-BWPKMQGJSA-N 1 1 329.404 0.677 20 30 ECEDMO Cc1ccc(C#N)c(NC/C=C/CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001107094074 759900032 /nfs/dbraw/zinc/90/00/32/759900032.db2.gz SLLZKSUELXZPQL-BWPKMQGJSA-N 1 1 329.404 0.677 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc(C)on3)[C@@H]2C1 ZINC001050199546 759923380 /nfs/dbraw/zinc/92/33/80/759923380.db2.gz XLVSVXMXLLYYCO-UONOGXRCSA-N 1 1 330.388 0.868 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3ccc(C(N)=O)cn3)C2)c1 ZINC001032222643 759930805 /nfs/dbraw/zinc/93/08/05/759930805.db2.gz HXKISTQRSDAHRA-UHFFFAOYSA-N 1 1 349.394 0.914 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cncc(C(N)=O)c3)[C@@H]2C1 ZINC001050204745 759938849 /nfs/dbraw/zinc/93/88/49/759938849.db2.gz KAIDCHOPIHWIFA-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3nn(CC)nc3C)C2)C1=O ZINC001032228374 759974842 /nfs/dbraw/zinc/97/48/42/759974842.db2.gz IQWXNFMGMKMNFA-CQSZACIVSA-N 1 1 346.435 0.055 20 30 ECEDMO C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](CNc2ccnc(C#N)n2)C1 ZINC001048176004 760034127 /nfs/dbraw/zinc/03/41/27/760034127.db2.gz HMKAPRVGTHAVMG-ILXRZTDVSA-N 1 1 342.447 0.761 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001050314529 760109819 /nfs/dbraw/zinc/10/98/19/760109819.db2.gz WNBGNRKCFMXFAZ-ZFWWWQNUSA-N 1 1 334.420 0.747 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)no1 ZINC001048250389 760162960 /nfs/dbraw/zinc/16/29/60/760162960.db2.gz BOUCTORUHAQHIK-UKRRQHHQSA-N 1 1 346.431 0.856 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCN1c1cncc(C#N)n1 ZINC001050491980 760355799 /nfs/dbraw/zinc/35/57/99/760355799.db2.gz WYOXVKPJTWVZTI-XUWXXGDYSA-N 1 1 340.431 0.918 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)c1 ZINC001048384492 760412018 /nfs/dbraw/zinc/41/20/18/760412018.db2.gz WOJWYZHHFAZXPC-IUODEOHRSA-N 1 1 339.403 0.084 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583837 760450712 /nfs/dbraw/zinc/45/07/12/760450712.db2.gz PBMJFOSJXGEUIL-NWANDNLSSA-N 1 1 338.839 0.668 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)[C@@H](O)C1 ZINC001083651447 760532982 /nfs/dbraw/zinc/53/29/82/760532982.db2.gz UVRQLJSPWNNEFQ-YRXWBPOGSA-N 1 1 342.439 0.961 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)nc1 ZINC001048442797 760538926 /nfs/dbraw/zinc/53/89/26/760538926.db2.gz DENSJANAFRQXEP-TZMCWYRMSA-N 1 1 339.403 0.084 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC000995794909 760615955 /nfs/dbraw/zinc/61/59/55/760615955.db2.gz ANWWPFVTUUXAPL-CQSZACIVSA-N 1 1 330.436 0.823 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001050649462 760626532 /nfs/dbraw/zinc/62/65/32/760626532.db2.gz PCUPKWRWRORQEY-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3nc(OC)cc(OC)n3)CCC[C@@H]12 ZINC000991386390 760633697 /nfs/dbraw/zinc/63/36/97/760633697.db2.gz MLEZTCSXAJVIAR-SJKOYZFVSA-N 1 1 330.388 0.854 20 30 ECEDMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C2 ZINC001048516568 760648025 /nfs/dbraw/zinc/64/80/25/760648025.db2.gz KELOYUKDVZWXIJ-RJZRQDKASA-N 1 1 343.431 0.994 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@@H]1O ZINC001048540271 760684557 /nfs/dbraw/zinc/68/45/57/760684557.db2.gz RBFUXGTVKADGKZ-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001048563964 760725584 /nfs/dbraw/zinc/72/55/84/760725584.db2.gz PUQOJLIULFCGAC-AQGHMYMLSA-N 1 1 335.448 0.811 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1 ZINC000995911027 760804065 /nfs/dbraw/zinc/80/40/65/760804065.db2.gz VLIVELJIWJYCBH-FXUDXRNXSA-N 1 1 341.415 0.842 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[NH+](C[C@H](C)O)CC3)CC1 ZINC001050765339 760806777 /nfs/dbraw/zinc/80/67/77/760806777.db2.gz NZEKLDLMXOXSEL-INIZCTEOSA-N 1 1 333.476 0.637 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CSCC#N)C1 ZINC001050770435 760813224 /nfs/dbraw/zinc/81/32/24/760813224.db2.gz ASZGJDFPRIKDOM-TZMCWYRMSA-N 1 1 349.460 0.802 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cccn4C)C[C@H]3C2)C1=O ZINC001048684008 760931937 /nfs/dbraw/zinc/93/19/37/760931937.db2.gz GSRXTPRUUNRSLD-HLLBOEOZSA-N 1 1 342.443 0.816 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4COCCO4)C[C@H]3C2)s1 ZINC001048689745 760939739 /nfs/dbraw/zinc/93/97/39/760939739.db2.gz ADQWIYCTPOASNW-ZENOOKHLSA-N 1 1 347.440 0.925 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3coc(S(N)(=O)=O)c3)CCC[C@@H]12 ZINC000991444973 760974665 /nfs/dbraw/zinc/97/46/65/760974665.db2.gz HFVMFNSMEJKQLK-IUODEOHRSA-N 1 1 339.417 0.840 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC000996067584 761003215 /nfs/dbraw/zinc/00/32/15/761003215.db2.gz WBRFOEUJQQXLAL-RDJZCZTQSA-N 1 1 346.431 0.890 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]3C2)cc1 ZINC001048721394 761032642 /nfs/dbraw/zinc/03/26/42/761032642.db2.gz CAOJJOYSOCIYFB-IXDOHACOSA-N 1 1 338.411 0.727 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C[C@@H]2C1 ZINC001048725453 761048178 /nfs/dbraw/zinc/04/81/78/761048178.db2.gz SEEFKTYIAFQBEL-BARDWOONSA-N 1 1 332.448 0.984 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001048726043 761050232 /nfs/dbraw/zinc/05/02/32/761050232.db2.gz ZJFCASCAPLKQHU-LJISPDSOSA-N 1 1 339.461 0.361 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3nnnn3C3CC3)C[C@@H]2C1 ZINC001048727788 761055282 /nfs/dbraw/zinc/05/52/82/761055282.db2.gz MTGRGFMTMVFQDL-ZDEQEGDKSA-N 1 1 329.408 0.619 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3nnnn3C3CC3)C[C@@H]2C1 ZINC001048727788 761055292 /nfs/dbraw/zinc/05/52/92/761055292.db2.gz MTGRGFMTMVFQDL-ZDEQEGDKSA-N 1 1 329.408 0.619 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc4n3CCCC4)C[C@@H]2C1 ZINC001048728298 761056701 /nfs/dbraw/zinc/05/67/01/761056701.db2.gz YXGSRZMULSSBIW-MELADBBJSA-N 1 1 328.420 0.664 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc4n3CCCC4)C[C@@H]2C1 ZINC001048728298 761056706 /nfs/dbraw/zinc/05/67/06/761056706.db2.gz YXGSRZMULSSBIW-MELADBBJSA-N 1 1 328.420 0.664 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC000991471860 761096856 /nfs/dbraw/zinc/09/68/56/761096856.db2.gz LICWPLBAXJAHRK-DOMZBBRYSA-N 1 1 339.827 0.448 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC000991471860 761096868 /nfs/dbraw/zinc/09/68/68/761096868.db2.gz LICWPLBAXJAHRK-DOMZBBRYSA-N 1 1 339.827 0.448 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@@H]1O ZINC001048757442 761122042 /nfs/dbraw/zinc/12/20/42/761122042.db2.gz DQIZACMXAWDJLW-BXWFABGCSA-N 1 1 347.459 0.306 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cn(C)cn4)C[C@H]3C2)C1=O ZINC001048764459 761137094 /nfs/dbraw/zinc/13/70/94/761137094.db2.gz BNJDRWBWGNMEED-LZWOXQAQSA-N 1 1 343.431 0.211 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNc2ccnc(C#N)n2)C1 ZINC001060254114 761147573 /nfs/dbraw/zinc/14/75/73/761147573.db2.gz URUMCUSUZQPQKD-ZIAGYGMSSA-N 1 1 328.420 0.515 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(CC)C2=O)C1 ZINC001030031490 761201602 /nfs/dbraw/zinc/20/16/02/761201602.db2.gz SQTXITKFGIFJTF-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@H]2CCN(CC)C2=O)C1 ZINC001030031490 761201607 /nfs/dbraw/zinc/20/16/07/761201607.db2.gz SQTXITKFGIFJTF-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H]2CCN(CC)C2=O)C1 ZINC001030031490 761201611 /nfs/dbraw/zinc/20/16/11/761201611.db2.gz SQTXITKFGIFJTF-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H]2CCN(CC)C2=O)C1 ZINC001030031490 761201614 /nfs/dbraw/zinc/20/16/14/761201614.db2.gz SQTXITKFGIFJTF-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001212148203 761244185 /nfs/dbraw/zinc/24/41/85/761244185.db2.gz DBOOIVRGCRDNHJ-BZUAXINKSA-N 1 1 345.447 0.774 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001050994374 761290183 /nfs/dbraw/zinc/29/01/83/761290183.db2.gz RJFOVDMSEILPNY-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001050994377 761290383 /nfs/dbraw/zinc/29/03/83/761290383.db2.gz RJFOVDMSEILPNY-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CNC(=O)[C@@H](C)CC)CC2)C1 ZINC001105733867 761408765 /nfs/dbraw/zinc/40/87/65/761408765.db2.gz OCVAOZBHQVIWAG-HNNXBMFYSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082376 761456772 /nfs/dbraw/zinc/45/67/72/761456772.db2.gz ZSRUNYIAZIXLBE-CVEARBPZSA-N 1 1 325.453 0.489 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007143889 768056414 /nfs/dbraw/zinc/05/64/14/768056414.db2.gz PFXOZWMUXBQAPR-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007143889 768056419 /nfs/dbraw/zinc/05/64/19/768056419.db2.gz PFXOZWMUXBQAPR-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nncn2C1 ZINC001051255960 761776692 /nfs/dbraw/zinc/77/66/92/761776692.db2.gz SGSRIGACPWBNGB-GJZGRUSLSA-N 1 1 333.436 0.624 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nncn2C1 ZINC001051255960 761776698 /nfs/dbraw/zinc/77/66/98/761776698.db2.gz SGSRIGACPWBNGB-GJZGRUSLSA-N 1 1 333.436 0.624 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CN(C)CCO3)cccc2C1 ZINC001051284630 761824986 /nfs/dbraw/zinc/82/49/86/761824986.db2.gz ZBFCGMXLDSEXRY-SFHVURJKSA-N 1 1 327.428 0.625 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cccn2nnnc12 ZINC001014579761 762857362 /nfs/dbraw/zinc/85/73/62/762857362.db2.gz MZNDVFWVRQAWFH-INIZCTEOSA-N 1 1 346.394 0.980 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cccn2nnnc12 ZINC001014579761 762857367 /nfs/dbraw/zinc/85/73/67/762857367.db2.gz MZNDVFWVRQAWFH-INIZCTEOSA-N 1 1 346.394 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(CC)n2C)C1 ZINC001051756964 762888934 /nfs/dbraw/zinc/88/89/34/762888934.db2.gz VTVUEWVOTBOYFH-CYBMUJFWSA-N 1 1 335.452 0.907 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1ccnc(C#N)n1 ZINC001105935930 762893975 /nfs/dbraw/zinc/89/39/75/762893975.db2.gz XYCXTUNMURTLTI-CQSZACIVSA-N 1 1 348.451 0.171 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001030401101 762937353 /nfs/dbraw/zinc/93/73/53/762937353.db2.gz MXMODOMPFFIUQM-HOTGVXAUSA-N 1 1 334.464 0.448 20 30 ECEDMO Cc1cc(NCC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001106294394 768097248 /nfs/dbraw/zinc/09/72/48/768097248.db2.gz RIYHZFHEYAABHA-MLGOLLRUSA-N 1 1 331.420 0.321 20 30 ECEDMO Cc1cc(NCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001106294394 768097258 /nfs/dbraw/zinc/09/72/58/768097258.db2.gz RIYHZFHEYAABHA-MLGOLLRUSA-N 1 1 331.420 0.321 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)s1 ZINC001014709830 763023341 /nfs/dbraw/zinc/02/33/41/763023341.db2.gz DFCOQEPREBCVHD-RYUDHWBXSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)s1 ZINC001014709830 763023346 /nfs/dbraw/zinc/02/33/46/763023346.db2.gz DFCOQEPREBCVHD-RYUDHWBXSA-N 1 1 332.429 0.836 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001014721148 763039015 /nfs/dbraw/zinc/03/90/15/763039015.db2.gz CGJBPBOJBYKNOI-CYBMUJFWSA-N 1 1 345.403 0.030 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001014721148 763039022 /nfs/dbraw/zinc/03/90/22/763039022.db2.gz CGJBPBOJBYKNOI-CYBMUJFWSA-N 1 1 345.403 0.030 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)nc1 ZINC001046782445 763118999 /nfs/dbraw/zinc/11/89/99/763118999.db2.gz YQVREFTYZFBRCN-GOSISDBHSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)nc1 ZINC001046782445 763119008 /nfs/dbraw/zinc/11/90/08/763119008.db2.gz YQVREFTYZFBRCN-GOSISDBHSA-N 1 1 326.400 0.489 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1C ZINC001105971920 763120472 /nfs/dbraw/zinc/12/04/72/763120472.db2.gz WRPRCLANUILHMH-HZSPNIEDSA-N 1 1 333.436 0.327 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001054635275 768109041 /nfs/dbraw/zinc/10/90/41/768109041.db2.gz GUKYJYKMUUWMJO-DGCLKSJQSA-N 1 1 337.374 0.893 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)nc1OC ZINC001089846182 763140658 /nfs/dbraw/zinc/14/06/58/763140658.db2.gz KOMGNXVAEKESFK-FQLMCAECSA-N 1 1 328.416 0.844 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001046806294 763148709 /nfs/dbraw/zinc/14/87/09/763148709.db2.gz QEPOWPUIYLUCHF-QGZVFWFLSA-N 1 1 325.372 0.948 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001046806972 763149597 /nfs/dbraw/zinc/14/95/97/763149597.db2.gz WHDJHRSEDARAOT-QGZVFWFLSA-N 1 1 325.372 0.948 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccc(C#N)cn3)C2)C1 ZINC001051879285 763190805 /nfs/dbraw/zinc/19/08/05/763190805.db2.gz UXEIYHMCPKDAGX-YMAMQOFZSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccc(C#N)cn3)C2)C1 ZINC001051879285 763190810 /nfs/dbraw/zinc/19/08/10/763190810.db2.gz UXEIYHMCPKDAGX-YMAMQOFZSA-N 1 1 329.404 0.591 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001105982137 763209001 /nfs/dbraw/zinc/20/90/01/763209001.db2.gz KASVFXYGNQQCCL-GJZGRUSLSA-N 1 1 346.435 0.500 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001017556126 768115530 /nfs/dbraw/zinc/11/55/30/768115530.db2.gz AZRSYZMQHYQYTJ-OKILXGFUSA-N 1 1 331.416 0.470 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001105982499 763230909 /nfs/dbraw/zinc/23/09/09/763230909.db2.gz POICNOORVWZSME-GJZGRUSLSA-N 1 1 346.435 0.500 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3coc(C)n3)C2)cn1 ZINC001051906962 763298416 /nfs/dbraw/zinc/29/84/16/763298416.db2.gz UBGIUTPXRHZLES-QGZVFWFLSA-N 1 1 340.383 0.990 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3coc(C)n3)C2)nc1 ZINC001051909576 763305638 /nfs/dbraw/zinc/30/56/38/763305638.db2.gz XAVBSKGEPMLHNB-MRXNPFEDSA-N 1 1 340.383 0.990 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001046900189 763342756 /nfs/dbraw/zinc/34/27/56/763342756.db2.gz AZNWLYPNEWHGFI-LPHOPBHVSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001046930870 763409188 /nfs/dbraw/zinc/40/91/88/763409188.db2.gz KTYZWNUHNQCTJJ-UONOGXRCSA-N 1 1 329.391 0.414 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001127320351 768137714 /nfs/dbraw/zinc/13/77/14/768137714.db2.gz RJLLDFVLXJGPJX-HNNXBMFYSA-N 1 1 331.420 0.792 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001046942822 763430803 /nfs/dbraw/zinc/43/08/03/763430803.db2.gz CILALQLDTRPLML-CHWSQXEVSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001046942822 763430809 /nfs/dbraw/zinc/43/08/09/763430809.db2.gz CILALQLDTRPLML-CHWSQXEVSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001046943683 763431950 /nfs/dbraw/zinc/43/19/50/763431950.db2.gz GKDCUOFNVDCRPB-NSHDSACASA-N 1 1 340.378 0.748 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001046943683 763431957 /nfs/dbraw/zinc/43/19/57/763431957.db2.gz GKDCUOFNVDCRPB-NSHDSACASA-N 1 1 340.378 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C)n2C2CC2)C1 ZINC001030462339 763436599 /nfs/dbraw/zinc/43/65/99/763436599.db2.gz RODYNYXQPHAWQS-INIZCTEOSA-N 1 1 342.447 0.319 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C)n2C2CC2)C1 ZINC001030462339 763436602 /nfs/dbraw/zinc/43/66/02/763436602.db2.gz RODYNYXQPHAWQS-INIZCTEOSA-N 1 1 342.447 0.319 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ncnn2C(C)(C)C)C1 ZINC001030462252 763436958 /nfs/dbraw/zinc/43/69/58/763436958.db2.gz NNQYVSFWXLSCCH-HNNXBMFYSA-N 1 1 344.463 0.431 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ncnn2C(C)(C)C)C1 ZINC001030462252 763436963 /nfs/dbraw/zinc/43/69/63/763436963.db2.gz NNQYVSFWXLSCCH-HNNXBMFYSA-N 1 1 344.463 0.431 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001046947058 763437728 /nfs/dbraw/zinc/43/77/28/763437728.db2.gz DIPSNPQXVLXBFU-LBPRGKRZSA-N 1 1 338.358 0.986 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001046947058 763437730 /nfs/dbraw/zinc/43/77/30/763437730.db2.gz DIPSNPQXVLXBFU-LBPRGKRZSA-N 1 1 338.358 0.986 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCC1(F)F ZINC001046947651 763438999 /nfs/dbraw/zinc/43/89/99/763438999.db2.gz VHVFWRIVWFSBNV-CABCVRRESA-N 1 1 343.418 0.540 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001046947978 763441215 /nfs/dbraw/zinc/44/12/15/763441215.db2.gz AHKBHTRSINDHHL-QWHCGFSZSA-N 1 1 327.375 0.752 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001046954038 763453194 /nfs/dbraw/zinc/45/31/94/763453194.db2.gz NUJRMNMBBLRKLU-HUUCEWRRSA-N 1 1 343.418 0.804 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001046954038 763453201 /nfs/dbraw/zinc/45/32/01/763453201.db2.gz NUJRMNMBBLRKLU-HUUCEWRRSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc3c2COCC3)C1 ZINC001030464016 763454969 /nfs/dbraw/zinc/45/49/69/763454969.db2.gz DWFWSTOFZNSFEY-INIZCTEOSA-N 1 1 344.415 0.145 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc3c2COCC3)C1 ZINC001030464016 763454972 /nfs/dbraw/zinc/45/49/72/763454972.db2.gz DWFWSTOFZNSFEY-INIZCTEOSA-N 1 1 344.415 0.145 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nn(C)cc2Cl)C1 ZINC001030464419 763458086 /nfs/dbraw/zinc/45/80/86/763458086.db2.gz SATGSOZGEAVYAD-HNNXBMFYSA-N 1 1 335.839 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nn(C)cc2Cl)C1 ZINC001030464419 763458092 /nfs/dbraw/zinc/45/80/92/763458092.db2.gz SATGSOZGEAVYAD-HNNXBMFYSA-N 1 1 335.839 0.472 20 30 ECEDMO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001040926487 763468036 /nfs/dbraw/zinc/46/80/36/763468036.db2.gz ZUCPPQWHLDZVLL-QAPCUYQASA-N 1 1 335.448 0.354 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001105994953 763480929 /nfs/dbraw/zinc/48/09/29/763480929.db2.gz KRQVIZWMNRJEQT-LSDHHAIUSA-N 1 1 346.435 0.500 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001105994952 763481003 /nfs/dbraw/zinc/48/10/03/763481003.db2.gz KRQVIZWMNRJEQT-HUUCEWRRSA-N 1 1 346.435 0.500 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001046966731 763481287 /nfs/dbraw/zinc/48/12/87/763481287.db2.gz SZBUUGQCAUPGGX-NSHDSACASA-N 1 1 326.347 0.836 20 30 ECEDMO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCCc3[nH+]ccn32)nn1 ZINC001105995125 763482248 /nfs/dbraw/zinc/48/22/48/763482248.db2.gz NJZDLAAZHKTMAJ-QWHCGFSZSA-N 1 1 341.375 0.011 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001046980124 763500535 /nfs/dbraw/zinc/50/05/35/763500535.db2.gz IILFXDNEWFSALS-GFCCVEGCSA-N 1 1 349.341 0.755 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001046980124 763500543 /nfs/dbraw/zinc/50/05/43/763500543.db2.gz IILFXDNEWFSALS-GFCCVEGCSA-N 1 1 349.341 0.755 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 ZINC001127690054 763530802 /nfs/dbraw/zinc/53/08/02/763530802.db2.gz GHYRMHXDAUVACZ-UHFFFAOYSA-N 1 1 328.420 0.943 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001046995881 763535538 /nfs/dbraw/zinc/53/55/38/763535538.db2.gz MDAYJCZYQPPJME-UONOGXRCSA-N 1 1 331.407 0.967 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)CC1 ZINC001051996761 763546214 /nfs/dbraw/zinc/54/62/14/763546214.db2.gz TWBRGBVTDUHJMK-MRXNPFEDSA-N 1 1 329.448 0.882 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](N2CC[NH+](CCn3cccn3)CC2)C1 ZINC001051997673 763549076 /nfs/dbraw/zinc/54/90/76/763549076.db2.gz FQQZLNGDWUVWPY-HOTGVXAUSA-N 1 1 330.436 0.261 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1 ZINC001077536572 768143591 /nfs/dbraw/zinc/14/35/91/768143591.db2.gz LGZOQZSYVJBKRX-JJTUDDRGSA-N 1 1 327.384 0.112 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1 ZINC001077536572 768143593 /nfs/dbraw/zinc/14/35/93/768143593.db2.gz LGZOQZSYVJBKRX-JJTUDDRGSA-N 1 1 327.384 0.112 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)C1 ZINC001106003584 763603413 /nfs/dbraw/zinc/60/34/13/763603413.db2.gz DXBVIPSJDQPXFG-DZGCQCFKSA-N 1 1 346.435 0.215 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)C2)CC1 ZINC001052028088 763623123 /nfs/dbraw/zinc/62/31/23/763623123.db2.gz NWEXNEYYRLNCEJ-HZPDHXFCSA-N 1 1 342.447 0.572 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001052035602 763643845 /nfs/dbraw/zinc/64/38/45/763643845.db2.gz FFTTYURPOKMBKV-RBUKOAKNSA-N 1 1 346.519 0.816 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(F)CCOCC3)C2)CC1 ZINC001052036770 763650958 /nfs/dbraw/zinc/65/09/58/763650958.db2.gz UTNPUWKMSDSFRF-MRXNPFEDSA-N 1 1 337.439 0.747 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052036838 763651017 /nfs/dbraw/zinc/65/10/17/763651017.db2.gz WAFPRKXAHDFFBH-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052036933 763652651 /nfs/dbraw/zinc/65/26/51/763652651.db2.gz YKKISOFULYTPDC-SJORKVTESA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C2)CC1 ZINC001052040620 763662838 /nfs/dbraw/zinc/66/28/38/763662838.db2.gz IJULQRSSRRSYHN-AWEZNQCLSA-N 1 1 333.436 0.827 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCn4nccc43)C2)CC1 ZINC001052044980 763681083 /nfs/dbraw/zinc/68/10/83/763681083.db2.gz PFKWIOAICASOAI-IRXDYDNUSA-N 1 1 341.459 0.612 20 30 ECEDMO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)CC1 ZINC001052048036 763693742 /nfs/dbraw/zinc/69/37/42/763693742.db2.gz JDAXIWSXWBDQPH-KRWDZBQOSA-N 1 1 344.459 0.794 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC001052048031 763694124 /nfs/dbraw/zinc/69/41/24/763694124.db2.gz JBYHROQUYSUPSO-OAHLLOKOSA-N 1 1 341.459 0.754 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn4cccnc4n3)C2)CC1 ZINC001052048538 763696458 /nfs/dbraw/zinc/69/64/58/763696458.db2.gz XDLXVBPRYLCGCX-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4nnnn4c3)C2)CC1 ZINC001052050180 763706311 /nfs/dbraw/zinc/70/63/11/763706311.db2.gz SIINAXNSAJMAID-HNNXBMFYSA-N 1 1 341.419 0.142 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052473 763716011 /nfs/dbraw/zinc/71/60/11/763716011.db2.gz NJDTZXBLQJVZEG-INIZCTEOSA-N 1 1 328.420 0.151 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)CC1 ZINC001052054021 763719734 /nfs/dbraw/zinc/71/97/34/763719734.db2.gz WKHWLTPZELYALN-LMMKCTJWSA-N 1 1 331.460 0.797 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3nccn3C)C2)CC1 ZINC001052056906 763728152 /nfs/dbraw/zinc/72/81/52/763728152.db2.gz IFBHQIAYRVLMRT-MRXNPFEDSA-N 1 1 331.464 0.757 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3coc(OC)n3)C2)CC1 ZINC001052057735 763731845 /nfs/dbraw/zinc/73/18/45/763731845.db2.gz SDBVDNCDIXQPAC-AWEZNQCLSA-N 1 1 332.404 0.539 20 30 ECEDMO Cc1ccn([C@H](C)CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052060477 763741436 /nfs/dbraw/zinc/74/14/36/763741436.db2.gz FOCHXMYJPYEZBA-SJORKVTESA-N 1 1 344.463 0.885 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)CC1 ZINC001052068731 763763520 /nfs/dbraw/zinc/76/35/20/763763520.db2.gz MXOCYVGNDZISPH-HNNXBMFYSA-N 1 1 343.431 0.346 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)COc3cnn(C)c3)C2)CC1 ZINC001052070622 763769999 /nfs/dbraw/zinc/76/99/99/763769999.db2.gz KBKDNKAXAMIYEU-INIZCTEOSA-N 1 1 345.447 0.041 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C3(c4cc(C)no4)CC3)C2)CC1 ZINC001052071184 763770915 /nfs/dbraw/zinc/77/09/15/763770915.db2.gz RACNIQUPTNNSAD-INIZCTEOSA-N 1 1 342.443 0.866 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4nonc4c3)C2)CC1 ZINC001052074161 763779722 /nfs/dbraw/zinc/77/97/22/763779722.db2.gz VGXNTBWUZFAIDV-HNNXBMFYSA-N 1 1 339.399 0.688 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3[nH]c(C)nc3C)C2)CC1 ZINC001052085663 763812362 /nfs/dbraw/zinc/81/23/62/763812362.db2.gz IHXGQRKAFBMCDG-MRXNPFEDSA-N 1 1 329.448 0.882 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C2)CC1 ZINC001052099850 763859022 /nfs/dbraw/zinc/85/90/22/763859022.db2.gz SPPBOVCXVYYASS-OAHLLOKOSA-N 1 1 345.447 0.281 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C2)CC1 ZINC001052099850 763859032 /nfs/dbraw/zinc/85/90/32/763859032.db2.gz SPPBOVCXVYYASS-OAHLLOKOSA-N 1 1 345.447 0.281 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)CC1 ZINC001052101991 763865537 /nfs/dbraw/zinc/86/55/37/763865537.db2.gz BVQHKDUJWYZFDF-AWEZNQCLSA-N 1 1 331.420 0.132 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)CC1 ZINC001052101991 763865544 /nfs/dbraw/zinc/86/55/44/763865544.db2.gz BVQHKDUJWYZFDF-AWEZNQCLSA-N 1 1 331.420 0.132 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113518 763912092 /nfs/dbraw/zinc/91/20/92/763912092.db2.gz XSNRZVUUTZCYPI-DLBZAZTESA-N 1 1 346.475 0.287 20 30 ECEDMO COc1ccccc1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052117046 763925614 /nfs/dbraw/zinc/92/56/14/763925614.db2.gz DZICQGSAJPBHMI-KRWDZBQOSA-N 1 1 342.443 0.980 20 30 ECEDMO Cc1noc(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052116945 763925783 /nfs/dbraw/zinc/92/57/83/763925783.db2.gz BUHXBBMONPMVSQ-MRXNPFEDSA-N 1 1 345.447 0.966 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C2)CC1 ZINC001052117030 763925846 /nfs/dbraw/zinc/92/58/46/763925846.db2.gz DOADBYHMSMYECR-INIZCTEOSA-N 1 1 349.479 0.182 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C2)CC1 ZINC001052117030 763925847 /nfs/dbraw/zinc/92/58/47/763925847.db2.gz DOADBYHMSMYECR-INIZCTEOSA-N 1 1 349.479 0.182 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)CC2)s1 ZINC001052183226 764020384 /nfs/dbraw/zinc/02/03/84/764020384.db2.gz AFMUSVINASRBAA-GFCCVEGCSA-N 1 1 345.432 0.777 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000942134214 764037325 /nfs/dbraw/zinc/03/73/25/764037325.db2.gz RZTTXBYOOLBZGN-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000942134214 764037328 /nfs/dbraw/zinc/03/73/28/764037328.db2.gz RZTTXBYOOLBZGN-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001047337799 764045177 /nfs/dbraw/zinc/04/51/77/764045177.db2.gz JAYPNGPZFXENGT-XIRDDKMYSA-N 1 1 346.431 0.963 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(C)nn3CC)C2)C1=O ZINC001032000876 764064580 /nfs/dbraw/zinc/06/45/80/764064580.db2.gz BLLKAXSNTZSKRR-HNNXBMFYSA-N 1 1 345.447 0.660 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001052221869 764084007 /nfs/dbraw/zinc/08/40/07/764084007.db2.gz UYFNFOSEBNXDBQ-HUUCEWRRSA-N 1 1 325.453 0.742 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001047354873 764094413 /nfs/dbraw/zinc/09/44/13/764094413.db2.gz PRYQSAWSSLDIPN-JYJNAYRXSA-N 1 1 332.404 0.573 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777722 764101356 /nfs/dbraw/zinc/10/13/56/764101356.db2.gz JDKMFTCIQQJPPT-KEYYUXOJSA-N 1 1 325.428 0.384 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)co1 ZINC001089863137 764121625 /nfs/dbraw/zinc/12/16/25/764121625.db2.gz UWZRVPRQUASOGZ-ATGSNQNLSA-N 1 1 327.384 0.794 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(C(N)=O)co2)C1 ZINC001089863139 764122649 /nfs/dbraw/zinc/12/26/49/764122649.db2.gz UWZRVPRQUASOGZ-MXAVVETBSA-N 1 1 327.384 0.794 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001089866442 764159177 /nfs/dbraw/zinc/15/91/77/764159177.db2.gz CJAUAPMWWYAWHV-LOUJCGABSA-N 1 1 340.427 0.919 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nn(C)c3ccccc23)C1 ZINC001047379708 764167399 /nfs/dbraw/zinc/16/73/99/764167399.db2.gz AXKAKJXAVJIEDS-ROUUACIJSA-N 1 1 340.427 0.643 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nn(C)c3ccccc23)C1 ZINC001047379708 764167403 /nfs/dbraw/zinc/16/74/03/764167403.db2.gz AXKAKJXAVJIEDS-ROUUACIJSA-N 1 1 340.427 0.643 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)CC2)c1 ZINC001052290112 764200854 /nfs/dbraw/zinc/20/08/54/764200854.db2.gz KYBLFMINXJCIDL-AWEZNQCLSA-N 1 1 344.419 0.496 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001047396516 764207426 /nfs/dbraw/zinc/20/74/26/764207426.db2.gz LFXAWBXJZBQPHC-HOTGVXAUSA-N 1 1 342.399 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNc1cc(C)nc(CO)n1 ZINC001106985573 764240855 /nfs/dbraw/zinc/24/08/55/764240855.db2.gz WMXVIRGNOCUJQQ-HNNXBMFYSA-N 1 1 345.447 0.635 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNc1cc(C)nc(CO)n1 ZINC001106985573 764240858 /nfs/dbraw/zinc/24/08/58/764240858.db2.gz WMXVIRGNOCUJQQ-HNNXBMFYSA-N 1 1 345.447 0.635 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001047413153 764267145 /nfs/dbraw/zinc/26/71/45/764267145.db2.gz YXCQDMNLPVLILM-KBPBESRZSA-N 1 1 328.372 0.409 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001047413153 764267156 /nfs/dbraw/zinc/26/71/56/764267156.db2.gz YXCQDMNLPVLILM-KBPBESRZSA-N 1 1 328.372 0.409 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2COC(=O)N2)C1 ZINC000995269991 764273189 /nfs/dbraw/zinc/27/31/89/764273189.db2.gz ZOFGPQKHLKFESU-HOTGVXAUSA-N 1 1 342.399 0.474 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2COC(=O)N2)C1 ZINC000995269990 764273266 /nfs/dbraw/zinc/27/32/66/764273266.db2.gz ZOFGPQKHLKFESU-CVEARBPZSA-N 1 1 342.399 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2nccs2)C[C@@H]1O ZINC001047415053 764273903 /nfs/dbraw/zinc/27/39/03/764273903.db2.gz DRAZOGGBROXFRH-KKUMJFAQSA-N 1 1 348.472 0.244 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2nccs2)C[C@@H]1O ZINC001047415053 764273908 /nfs/dbraw/zinc/27/39/08/764273908.db2.gz DRAZOGGBROXFRH-KKUMJFAQSA-N 1 1 348.472 0.244 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC(F)F)nc2C)C1 ZINC001047419470 764288638 /nfs/dbraw/zinc/28/86/38/764288638.db2.gz MHKYKBOIISMEFA-KBPBESRZSA-N 1 1 340.374 0.597 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC(F)F)nc2C)C1 ZINC001047419470 764288645 /nfs/dbraw/zinc/28/86/45/764288645.db2.gz MHKYKBOIISMEFA-KBPBESRZSA-N 1 1 340.374 0.597 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnnn3C)CC2)C1=O ZINC001052349837 764309649 /nfs/dbraw/zinc/30/96/49/764309649.db2.gz LYNWYAGGUYAGEE-KBPBESRZSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001047428953 764318450 /nfs/dbraw/zinc/31/84/50/764318450.db2.gz RSSNIFHLCLBZDH-HOTGVXAUSA-N 1 1 329.404 0.662 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C2CCC2)C1 ZINC001047435729 764336938 /nfs/dbraw/zinc/33/69/38/764336938.db2.gz NQEWOCLLICKUKM-HOTGVXAUSA-N 1 1 330.432 0.828 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C2CCC2)C1 ZINC001047435729 764336944 /nfs/dbraw/zinc/33/69/44/764336944.db2.gz NQEWOCLLICKUKM-HOTGVXAUSA-N 1 1 330.432 0.828 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001047441657 764356639 /nfs/dbraw/zinc/35/66/39/764356639.db2.gz LKOSVUGWBYMTIS-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001047441657 764356646 /nfs/dbraw/zinc/35/66/46/764356646.db2.gz LKOSVUGWBYMTIS-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)nc(OC)c2)C1 ZINC001047443962 764365119 /nfs/dbraw/zinc/36/51/19/764365119.db2.gz SJOIRFLSLORRFM-KBPBESRZSA-N 1 1 335.404 0.792 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001077479283 764369525 /nfs/dbraw/zinc/36/95/25/764369525.db2.gz ZOKCCYHLPPQSFH-HUUCEWRRSA-N 1 1 329.404 0.697 20 30 ECEDMO C=CCOCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC(=O)NC ZINC001099038151 764374488 /nfs/dbraw/zinc/37/44/88/764374488.db2.gz BKNVIZOJPLMEIA-AWEZNQCLSA-N 1 1 325.453 0.932 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001047458402 764406070 /nfs/dbraw/zinc/40/60/70/764406070.db2.gz MGIDJGJKYOYQOH-STQMWFEESA-N 1 1 326.347 0.498 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001047458402 764406075 /nfs/dbraw/zinc/40/60/75/764406075.db2.gz MGIDJGJKYOYQOH-STQMWFEESA-N 1 1 326.347 0.498 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001047470505 764434805 /nfs/dbraw/zinc/43/48/05/764434805.db2.gz RWSBBFCSTIHDAW-HOTGVXAUSA-N 1 1 342.403 0.356 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CCCC)C1 ZINC001047470972 764436956 /nfs/dbraw/zinc/43/69/56/764436956.db2.gz GPXNGHAHRZZKCN-ULQDDVLXSA-N 1 1 337.464 0.014 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ncccc3F)C2)C1=O ZINC001032072337 764459460 /nfs/dbraw/zinc/45/94/60/764459460.db2.gz LZJIMDTZFXNZLT-AWEZNQCLSA-N 1 1 332.379 0.669 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CNC(=O)C1 ZINC001015378226 764478127 /nfs/dbraw/zinc/47/81/27/764478127.db2.gz VEKPFMFRRFNODX-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CNC(=O)C1 ZINC001015378226 764478134 /nfs/dbraw/zinc/47/81/34/764478134.db2.gz VEKPFMFRRFNODX-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001047501172 764524967 /nfs/dbraw/zinc/52/49/67/764524967.db2.gz NMQCMYAIHCKBNF-SOUVJXGZSA-N 1 1 334.420 0.954 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001047502393 764530542 /nfs/dbraw/zinc/53/05/42/764530542.db2.gz LTMLBCMMGUTVMF-PVAVHDDUSA-N 1 1 332.448 0.834 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnn(C)n2)CC1 ZINC001052456333 764537285 /nfs/dbraw/zinc/53/72/85/764537285.db2.gz DYCPAPUMPCJDPL-WBVHZDCISA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnn(C)n2)CC1 ZINC001052456333 764537291 /nfs/dbraw/zinc/53/72/91/764537291.db2.gz DYCPAPUMPCJDPL-WBVHZDCISA-N 1 1 344.463 0.383 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2nnn3C)C1 ZINC001047504990 764538518 /nfs/dbraw/zinc/53/85/18/764538518.db2.gz YBQYXLKSMIPAIA-STQMWFEESA-N 1 1 330.392 0.057 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001047504654 764538877 /nfs/dbraw/zinc/53/88/77/764538877.db2.gz QHZAAHJUUFYECQ-ILXRZTDVSA-N 1 1 343.418 0.490 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC001052457841 764542533 /nfs/dbraw/zinc/54/25/33/764542533.db2.gz WEBKXXQYCIYVIF-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001054745431 768221476 /nfs/dbraw/zinc/22/14/76/768221476.db2.gz IYJFQVLDFCMNRZ-QWHCGFSZSA-N 1 1 329.408 0.448 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC001047512033 764555096 /nfs/dbraw/zinc/55/50/96/764555096.db2.gz DZUFTMNPDJTOEV-GJZGRUSLSA-N 1 1 332.448 0.858 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001047524104 764586758 /nfs/dbraw/zinc/58/67/58/764586758.db2.gz AGTXQEQVYWUBRE-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCN2CCOCC2)C1 ZINC001089875070 764601136 /nfs/dbraw/zinc/60/11/36/764601136.db2.gz LAOCYEBDYZYRQO-XSLAGTTESA-N 1 1 331.460 0.511 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089876559 764607164 /nfs/dbraw/zinc/60/71/64/764607164.db2.gz ULGNMUDJHUORNS-XZDPQHSOSA-N 1 1 343.427 0.231 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1CCOCC1 ZINC001089875557 764609943 /nfs/dbraw/zinc/60/99/43/764609943.db2.gz MVZULCVRFMFPMR-OKYOBFRVSA-N 1 1 345.487 0.901 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001052501346 764628023 /nfs/dbraw/zinc/62/80/23/764628023.db2.gz CRWYZXCTFCJJNW-AWEZNQCLSA-N 1 1 342.871 0.484 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cnccc2=O)C1 ZINC001089883538 764663159 /nfs/dbraw/zinc/66/31/59/764663159.db2.gz NONQFXDYBRMXJE-QAETUUGQSA-N 1 1 342.443 0.988 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC1 ZINC001052516921 764670088 /nfs/dbraw/zinc/67/00/88/764670088.db2.gz SGNCHJOMGWOTLK-CQSZACIVSA-N 1 1 342.403 0.927 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CS(=O)(=O)C(C)C)C1 ZINC001099554229 764670826 /nfs/dbraw/zinc/67/08/26/764670826.db2.gz YIKIHCRHTHHZCL-VGWMRTNUSA-N 1 1 338.473 0.612 20 30 ECEDMO CN(C(=O)c1cnn(C)n1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047563191 764699686 /nfs/dbraw/zinc/69/96/86/764699686.db2.gz FLOUCYKHLIUMDG-HOTGVXAUSA-N 1 1 340.387 0.004 20 30 ECEDMO CN(C(=O)c1cnn(C)n1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047563191 764699687 /nfs/dbraw/zinc/69/96/87/764699687.db2.gz FLOUCYKHLIUMDG-HOTGVXAUSA-N 1 1 340.387 0.004 20 30 ECEDMO CN(C(=O)[C@@]1(C)CCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047577828 764754925 /nfs/dbraw/zinc/75/49/25/764754925.db2.gz CNEMILUCWBQZSA-LNLFQRSKSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)[C@@]1(C)CCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047577828 764754930 /nfs/dbraw/zinc/75/49/30/764754930.db2.gz CNEMILUCWBQZSA-LNLFQRSKSA-N 1 1 343.427 0.988 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3nsnc32)C1 ZINC001047584161 764777093 /nfs/dbraw/zinc/77/70/93/764777093.db2.gz MCEWCHUMFXMKCZ-KBPBESRZSA-N 1 1 330.413 0.832 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3nsnc32)C1 ZINC001047584161 764777098 /nfs/dbraw/zinc/77/70/98/764777098.db2.gz MCEWCHUMFXMKCZ-KBPBESRZSA-N 1 1 330.413 0.832 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001047584752 764779314 /nfs/dbraw/zinc/77/93/14/764779314.db2.gz XXQYVHFCZUCGNB-RCBQFDQVSA-N 1 1 330.432 0.675 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001047584752 764779322 /nfs/dbraw/zinc/77/93/22/764779322.db2.gz XXQYVHFCZUCGNB-RCBQFDQVSA-N 1 1 330.432 0.675 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001032136211 764785807 /nfs/dbraw/zinc/78/58/07/764785807.db2.gz GDTFYHHBLYUMKJ-OAHLLOKOSA-N 1 1 342.399 0.034 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccn3cc(C)nc23)C1 ZINC001047591302 764804041 /nfs/dbraw/zinc/80/40/41/764804041.db2.gz VGGPFEAOOZOBJB-KBPBESRZSA-N 1 1 329.404 0.731 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1F ZINC001015504942 764822050 /nfs/dbraw/zinc/82/20/50/764822050.db2.gz SAKQIOHUHJEZES-ZIAGYGMSSA-N 1 1 330.363 0.524 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1F ZINC001015504942 764822055 /nfs/dbraw/zinc/82/20/55/764822055.db2.gz SAKQIOHUHJEZES-ZIAGYGMSSA-N 1 1 330.363 0.524 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001047602125 764848888 /nfs/dbraw/zinc/84/88/88/764848888.db2.gz ARPPYIXPMSUBAD-GJZGRUSLSA-N 1 1 343.383 0.263 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)[C@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001047609951 764871390 /nfs/dbraw/zinc/87/13/90/764871390.db2.gz NZMMZPLEOCIUFN-JLSDUUJJSA-N 1 1 330.428 0.749 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1OC ZINC001212194865 764913513 /nfs/dbraw/zinc/91/35/13/764913513.db2.gz YYQOTTOXFMNTOY-JFIYKMOQSA-N 1 1 340.464 0.946 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001052639991 764916001 /nfs/dbraw/zinc/91/60/01/764916001.db2.gz DVLJDDJFAIBNGR-ZBFHGGJFSA-N 1 1 346.431 0.442 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047626531 764920300 /nfs/dbraw/zinc/92/03/00/764920300.db2.gz DKRMMEZENMUVOX-BZSNNMDCSA-N 1 1 342.443 0.513 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)CC1 ZINC001052660231 764951800 /nfs/dbraw/zinc/95/18/00/764951800.db2.gz UYNXKUBDJNIUQH-LSDHHAIUSA-N 1 1 329.448 0.914 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@H]12 ZINC000991975205 765021823 /nfs/dbraw/zinc/02/18/23/765021823.db2.gz OPSCMAASUJYDSE-MPGHIAIKSA-N 1 1 341.415 0.502 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)CC1 ZINC001052708927 765022181 /nfs/dbraw/zinc/02/21/81/765022181.db2.gz HWEDLXAGJKXOPU-AWEZNQCLSA-N 1 1 330.432 0.741 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3c[nH]cn3)CC2)C1=O ZINC001052749727 765063306 /nfs/dbraw/zinc/06/33/06/765063306.db2.gz ZLSQRXSBTPKKLO-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001052760804 765076216 /nfs/dbraw/zinc/07/62/16/765076216.db2.gz KCXYJKDQFZEVEI-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001052760650 765076423 /nfs/dbraw/zinc/07/64/23/765076423.db2.gz JDBIGBJBSXNEKP-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001052760650 765076427 /nfs/dbraw/zinc/07/64/27/765076427.db2.gz JDBIGBJBSXNEKP-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)CC2)nn1 ZINC001052774691 765096404 /nfs/dbraw/zinc/09/64/04/765096404.db2.gz HBCADIPBOTYWPE-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)nn1 ZINC001052775713 765099012 /nfs/dbraw/zinc/09/90/12/765099012.db2.gz XCYOLHBAJZJQKF-ZFWWWQNUSA-N 1 1 346.435 0.327 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786066 765119130 /nfs/dbraw/zinc/11/91/30/765119130.db2.gz NXGVTSDBJVGCLG-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccn(C)c3C)C2)C1=O ZINC001015669592 765145291 /nfs/dbraw/zinc/14/52/91/765145291.db2.gz DZCKTGPDNIKSML-HOCLYGCPSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccn(C)c3C)C2)C1=O ZINC001015669592 765145292 /nfs/dbraw/zinc/14/52/92/765145292.db2.gz DZCKTGPDNIKSML-HOCLYGCPSA-N 1 1 330.432 0.925 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC001015678890 765149861 /nfs/dbraw/zinc/14/98/61/765149861.db2.gz PKIZXFXXFWMDFN-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC001015678890 765149867 /nfs/dbraw/zinc/14/98/67/765149867.db2.gz PKIZXFXXFWMDFN-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c1 ZINC001015678762 765150451 /nfs/dbraw/zinc/15/04/51/765150451.db2.gz NAEZQFZBNZUHRT-RDJZCZTQSA-N 1 1 340.427 0.783 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CCNC1=O ZINC001015694703 765174441 /nfs/dbraw/zinc/17/44/41/765174441.db2.gz BCVHJDYLHVPSLZ-QAPCUYQASA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001052820806 765180257 /nfs/dbraw/zinc/18/02/57/765180257.db2.gz BNPQRRDXJZNGPW-MCIONIFRSA-N 1 1 328.420 0.631 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)C2)cc1 ZINC001015712980 765216548 /nfs/dbraw/zinc/21/65/48/765216548.db2.gz ITEONSXYZQXZRQ-AWEZNQCLSA-N 1 1 337.383 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001052849227 765222492 /nfs/dbraw/zinc/22/24/92/765222492.db2.gz OVUQEMWIICZCAN-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001052849227 765222501 /nfs/dbraw/zinc/22/25/01/765222501.db2.gz OVUQEMWIICZCAN-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000992038286 765241496 /nfs/dbraw/zinc/24/14/96/765241496.db2.gz IOZUZSLLPWHRPN-UHFFFAOYSA-N 1 1 340.387 0.716 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2-n2cccn2)C1 ZINC001077488900 765271853 /nfs/dbraw/zinc/27/18/53/765271853.db2.gz OCIJHKBBNSNNEF-HUUCEWRRSA-N 1 1 325.372 0.066 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)CC2)cn1 ZINC001052879185 765287904 /nfs/dbraw/zinc/28/79/04/765287904.db2.gz QSEKQMQCMPNEML-CVEARBPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC001052914686 765335944 /nfs/dbraw/zinc/33/59/44/765335944.db2.gz UEVCJYLAOQHWSB-ZDUSSCGKSA-N 1 1 334.420 0.311 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C(F)F)C[C@H](C)O2 ZINC001111532485 765341710 /nfs/dbraw/zinc/34/17/10/765341710.db2.gz YSXQCXRVIREYIZ-LBPRGKRZSA-N 1 1 343.374 0.083 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)n1 ZINC001052921904 765351056 /nfs/dbraw/zinc/35/10/56/765351056.db2.gz LZTLAQLLAVRXQK-BPLDGKMQSA-N 1 1 342.447 0.797 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001015821668 765385365 /nfs/dbraw/zinc/38/53/65/765385365.db2.gz ZCYPHZUPGAWBOQ-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001015821668 765385369 /nfs/dbraw/zinc/38/53/69/765385369.db2.gz ZCYPHZUPGAWBOQ-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)s1 ZINC001015833983 765402106 /nfs/dbraw/zinc/40/21/06/765402106.db2.gz GHMZNWGALNATAF-NWDGAFQWSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)s1 ZINC001015833983 765402108 /nfs/dbraw/zinc/40/21/08/765402108.db2.gz GHMZNWGALNATAF-NWDGAFQWSA-N 1 1 332.429 0.979 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001052978250 765445979 /nfs/dbraw/zinc/44/59/79/765445979.db2.gz WPLPSYZQNSIQDM-RYUDHWBXSA-N 1 1 327.812 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2n[nH]cc2C)C1 ZINC000992099292 765469989 /nfs/dbraw/zinc/46/99/89/765469989.db2.gz CJJBGKOYOJQLLU-NRXISQOPSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2n[nH]cc2C)C1 ZINC000992099292 765469991 /nfs/dbraw/zinc/46/99/91/765469991.db2.gz CJJBGKOYOJQLLU-NRXISQOPSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC001053026270 765499736 /nfs/dbraw/zinc/49/97/36/765499736.db2.gz DYASMLVLZFKVDM-HOTGVXAUSA-N 1 1 330.436 0.647 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001053035515 765509615 /nfs/dbraw/zinc/50/96/15/765509615.db2.gz CSLDAEVVHXAFOD-GJZGRUSLSA-N 1 1 330.436 0.798 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nnc(-c2ccco2)n1 ZINC001017695500 768301702 /nfs/dbraw/zinc/30/17/02/768301702.db2.gz JRGLWSNICPAJEL-BETUJISGSA-N 1 1 328.376 0.794 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nnc(-c2ccco2)n1 ZINC001017695500 768301706 /nfs/dbraw/zinc/30/17/06/768301706.db2.gz JRGLWSNICPAJEL-BETUJISGSA-N 1 1 328.376 0.794 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001053093497 765568430 /nfs/dbraw/zinc/56/84/30/765568430.db2.gz NSVNMIBURDSDQU-DLBZAZTESA-N 1 1 348.491 0.697 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)CC[N@H+]1C ZINC001106092828 765588894 /nfs/dbraw/zinc/58/88/94/765588894.db2.gz NYWUMLAPPVTHLK-HEHGZKQESA-N 1 1 331.420 0.573 20 30 ECEDMO NC(=O)C(=O)N[C@]12CCC[C@@H]1[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000992140752 765639386 /nfs/dbraw/zinc/63/93/86/765639386.db2.gz BCWAKARYFJBCNN-YJBOKZPZSA-N 1 1 329.375 0.776 20 30 ECEDMO NC(=O)C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000992140752 765639387 /nfs/dbraw/zinc/63/93/87/765639387.db2.gz BCWAKARYFJBCNN-YJBOKZPZSA-N 1 1 329.375 0.776 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+]([C@H](CC)C(N)=O)C1 ZINC001015969498 765640255 /nfs/dbraw/zinc/64/02/55/765640255.db2.gz UZERUGKTVFUFJY-CHWSQXEVSA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001015969498 765640260 /nfs/dbraw/zinc/64/02/60/765640260.db2.gz UZERUGKTVFUFJY-CHWSQXEVSA-N 1 1 332.404 0.714 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000992154457 765690458 /nfs/dbraw/zinc/69/04/58/765690458.db2.gz WFPQNGMYLIBDAN-BNQIPGGESA-N 1 1 343.431 0.851 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)C1=O ZINC001016000273 765696659 /nfs/dbraw/zinc/69/66/59/765696659.db2.gz AXFQZEADOYGLSK-ZIAGYGMSSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)C1=O ZINC001016000273 765696663 /nfs/dbraw/zinc/69/66/63/765696663.db2.gz AXFQZEADOYGLSK-ZIAGYGMSSA-N 1 1 345.447 0.665 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)cn1 ZINC001016027577 765731035 /nfs/dbraw/zinc/73/10/35/765731035.db2.gz QZTBECQQZVTBRQ-KRWDZBQOSA-N 1 1 336.395 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)nc1 ZINC001016028477 765731077 /nfs/dbraw/zinc/73/10/77/765731077.db2.gz YTJLQVPUTMQGMS-OAHLLOKOSA-N 1 1 326.400 0.489 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C#N ZINC001106104919 765756664 /nfs/dbraw/zinc/75/66/64/765756664.db2.gz QYTAECJTUUZUPA-IUODEOHRSA-N 1 1 331.420 0.493 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2C)CC[N@H+]1C ZINC001053209941 765767816 /nfs/dbraw/zinc/76/78/16/765767816.db2.gz YXFYINLDPOFSOH-IXYNUQLISA-N 1 1 342.447 0.877 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OCC(N)=O ZINC001017720882 768322877 /nfs/dbraw/zinc/32/28/77/768322877.db2.gz HRXRRZQNVDJXBF-GASCZTMLSA-N 1 1 341.411 0.863 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OCC(N)=O ZINC001017720882 768322882 /nfs/dbraw/zinc/32/28/82/768322882.db2.gz HRXRRZQNVDJXBF-GASCZTMLSA-N 1 1 341.411 0.863 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)C[N@H+]2CCC(C)(C)C2)ccc1C#N ZINC001106108736 765859188 /nfs/dbraw/zinc/85/91/88/765859188.db2.gz NQSSKSLGPANFEE-HNNXBMFYSA-N 1 1 345.447 0.883 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001106109110 765871394 /nfs/dbraw/zinc/87/13/94/765871394.db2.gz UGBXLBMBSZLZLZ-DZGCQCFKSA-N 1 1 331.420 0.635 20 30 ECEDMO Cn1nc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)ccc1=O ZINC001016180775 765875099 /nfs/dbraw/zinc/87/50/99/765875099.db2.gz KDELIXLWRPUDIH-MRXNPFEDSA-N 1 1 336.395 0.636 20 30 ECEDMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)ccc1=O ZINC001016180775 765875108 /nfs/dbraw/zinc/87/51/08/765875108.db2.gz KDELIXLWRPUDIH-MRXNPFEDSA-N 1 1 336.395 0.636 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)C2)cc1 ZINC001016185824 765881938 /nfs/dbraw/zinc/88/19/38/765881938.db2.gz WWVWOAPOJUAMOG-HNNXBMFYSA-N 1 1 340.387 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccn(C)c2)C1 ZINC000992207315 765898594 /nfs/dbraw/zinc/89/85/94/765898594.db2.gz LLJBHKXPPUNUPO-PREGVCBESA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccn(C)c2)C1 ZINC000992207315 765898601 /nfs/dbraw/zinc/89/86/01/765898601.db2.gz LLJBHKXPPUNUPO-PREGVCBESA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccc[nH]2)C1 ZINC001016245206 765968720 /nfs/dbraw/zinc/96/87/20/765968720.db2.gz DXCRTGUXIUGVGS-XUJLQICISA-N 1 1 328.416 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccc[nH]2)C1 ZINC001016245206 765968725 /nfs/dbraw/zinc/96/87/25/765968725.db2.gz DXCRTGUXIUGVGS-XUJLQICISA-N 1 1 328.416 0.832 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)C2)c1 ZINC001016267625 766006322 /nfs/dbraw/zinc/00/63/22/766006322.db2.gz XQMCVHZIZWUVDQ-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)C2)c1 ZINC001016267625 766006329 /nfs/dbraw/zinc/00/63/29/766006329.db2.gz XQMCVHZIZWUVDQ-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2csnn2)C1 ZINC000992245088 766038262 /nfs/dbraw/zinc/03/82/62/766038262.db2.gz RMEUBHKKLKUQJY-YIZWMMSDSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2csnn2)C1 ZINC000992245088 766038269 /nfs/dbraw/zinc/03/82/69/766038269.db2.gz RMEUBHKKLKUQJY-YIZWMMSDSA-N 1 1 347.444 0.260 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2 ZINC001053371135 766047588 /nfs/dbraw/zinc/04/75/88/766047588.db2.gz WJGRPIMITQAUJV-UHFFFAOYSA-N 1 1 334.420 0.922 20 30 ECEDMO C=CCCN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CCO2 ZINC001053392976 766072836 /nfs/dbraw/zinc/07/28/36/766072836.db2.gz HQPMJLBVXHTBNZ-INIZCTEOSA-N 1 1 337.464 0.585 20 30 ECEDMO C=CCCN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CCO2 ZINC001053392976 766072842 /nfs/dbraw/zinc/07/28/42/766072842.db2.gz HQPMJLBVXHTBNZ-INIZCTEOSA-N 1 1 337.464 0.585 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)[C@@H](O)C1 ZINC001083684111 766085210 /nfs/dbraw/zinc/08/52/10/766085210.db2.gz FYSUIPZBQJIPNL-BMFZPTHFSA-N 1 1 327.384 0.297 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)[C@@H](O)C1 ZINC001083684111 766085216 /nfs/dbraw/zinc/08/52/16/766085216.db2.gz FYSUIPZBQJIPNL-BMFZPTHFSA-N 1 1 327.384 0.297 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001053429678 766119276 /nfs/dbraw/zinc/11/92/76/766119276.db2.gz UCPXPJOZMPPGII-GXTWGEPZSA-N 1 1 327.856 0.850 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001017758270 768349878 /nfs/dbraw/zinc/34/98/78/768349878.db2.gz RRHORYRUCUMZTN-XDNAFOTISA-N 1 1 349.475 0.727 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001017758270 768349885 /nfs/dbraw/zinc/34/98/85/768349885.db2.gz RRHORYRUCUMZTN-XDNAFOTISA-N 1 1 349.475 0.727 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001017758894 768350588 /nfs/dbraw/zinc/35/05/88/768350588.db2.gz JJQRISHWVJVPNK-HRCADAONSA-N 1 1 327.432 0.847 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1CC(F)F ZINC001017768939 768356162 /nfs/dbraw/zinc/35/61/62/768356162.db2.gz LZOHIZTVMAQSHU-MJBXVCDLSA-N 1 1 329.391 0.814 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1CC(F)F ZINC001017768939 768356168 /nfs/dbraw/zinc/35/61/68/768356168.db2.gz LZOHIZTVMAQSHU-MJBXVCDLSA-N 1 1 329.391 0.814 20 30 ECEDMO C=CCn1cc(C(=O)N2CCOC3(C[NH+](CCC4CC4)C3)C2)nn1 ZINC001053463835 766176415 /nfs/dbraw/zinc/17/64/15/766176415.db2.gz QWIGYHLEMJPCEB-UHFFFAOYSA-N 1 1 331.420 0.791 20 30 ECEDMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016411941 766250646 /nfs/dbraw/zinc/25/06/46/766250646.db2.gz UKAYSEGQRLJXFI-SJORKVTESA-N 1 1 340.427 0.772 20 30 ECEDMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016411941 766250651 /nfs/dbraw/zinc/25/06/51/766250651.db2.gz UKAYSEGQRLJXFI-SJORKVTESA-N 1 1 340.427 0.772 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(N)=O)CCO2 ZINC001053550758 766319282 /nfs/dbraw/zinc/31/92/82/766319282.db2.gz YGXLZWUVTLIMEO-AWEZNQCLSA-N 1 1 336.436 0.409 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)C3CC(OCC)C3)C2)C1=O ZINC001031651230 766354931 /nfs/dbraw/zinc/35/49/31/766354931.db2.gz NEAWDUMKWIQUSW-GPANFISMSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045778285 766359630 /nfs/dbraw/zinc/35/96/30/766359630.db2.gz WZRLAOGEEHXEBM-HNNXBMFYSA-N 1 1 335.448 0.374 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001045794445 766378191 /nfs/dbraw/zinc/37/81/91/766378191.db2.gz CPRMQWYTHQBUJR-AWEZNQCLSA-N 1 1 335.448 0.517 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(OC)ncn1)O2 ZINC001053599507 766406829 /nfs/dbraw/zinc/40/68/29/766406829.db2.gz VIUQCDCRFTVUOB-CYBMUJFWSA-N 1 1 330.388 0.472 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)nn1 ZINC001045862136 766441420 /nfs/dbraw/zinc/44/14/20/766441420.db2.gz RERNLHRDGFALBA-MJBXVCDLSA-N 1 1 346.435 0.407 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(N)=O)nn1 ZINC001045862136 766441425 /nfs/dbraw/zinc/44/14/25/766441425.db2.gz RERNLHRDGFALBA-MJBXVCDLSA-N 1 1 346.435 0.407 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nc1 ZINC000992392996 766465041 /nfs/dbraw/zinc/46/50/41/766465041.db2.gz NTHOOVSCKWJDMM-DOTOQJQBSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)O2 ZINC001053625919 766467779 /nfs/dbraw/zinc/46/77/79/766467779.db2.gz JDKKSSHRFHGELF-CABCVRRESA-N 1 1 348.447 0.150 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cccn4c(=O)[nH]nc34)CCC[C@@H]12 ZINC000992395446 766468610 /nfs/dbraw/zinc/46/86/10/766468610.db2.gz IRZIPDGFHLCUKM-CXAGYDPISA-N 1 1 325.372 0.795 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@H]12 ZINC000992397138 766474236 /nfs/dbraw/zinc/47/42/36/766474236.db2.gz NPPFICKQYZSTCN-QFYYESIMSA-N 1 1 332.360 0.256 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001045929612 766499417 /nfs/dbraw/zinc/49/94/17/766499417.db2.gz JHIJHMOVLBTUOE-GOSISDBHSA-N 1 1 343.431 0.951 20 30 ECEDMO Cn1nncc1C[NH+]1CCC2(C[C@@H]2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001016563257 766508887 /nfs/dbraw/zinc/50/88/87/766508887.db2.gz WEZUAYYFKYAUJM-HNNXBMFYSA-N 1 1 339.403 0.799 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)[C@@H](O)C1 ZINC001083694883 766514387 /nfs/dbraw/zinc/51/43/87/766514387.db2.gz XASNXBPAHXLDDP-CABCVRRESA-N 1 1 325.372 0.270 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNc1ccc(C#N)nn1 ZINC001053653720 766518203 /nfs/dbraw/zinc/51/82/03/766518203.db2.gz WBAJXVAYNLEEJT-UMVBOHGHSA-N 1 1 328.420 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001045979909 766549979 /nfs/dbraw/zinc/54/99/79/766549979.db2.gz MPAAQJRCBNEXPT-GOSISDBHSA-N 1 1 346.431 0.218 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c3c(nn1C)CCC3)O2 ZINC001053685836 766584509 /nfs/dbraw/zinc/58/45/09/766584509.db2.gz AEIPPCMKASIMRZ-AWEZNQCLSA-N 1 1 342.443 0.895 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C(C)=O)CCO3)CCC[C@H]12 ZINC000992446308 766588830 /nfs/dbraw/zinc/58/88/30/766588830.db2.gz CCRKXLQLYJELJR-XYJFISCASA-N 1 1 333.432 0.370 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCN(C(N)=O)CC1)O2 ZINC001053697154 766611178 /nfs/dbraw/zinc/61/11/78/766611178.db2.gz XCWVISNPJZHLON-HNNXBMFYSA-N 1 1 348.447 0.150 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(C(N)=O)n1)O2 ZINC001053702436 766624397 /nfs/dbraw/zinc/62/43/97/766624397.db2.gz WIPLWSJVDWZBRG-CYBMUJFWSA-N 1 1 342.399 0.167 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)O2 ZINC001053707397 766634334 /nfs/dbraw/zinc/63/43/34/766634334.db2.gz HJCFTBICLSOUFR-AWEZNQCLSA-N 1 1 342.399 0.167 20 30 ECEDMO Cc1nnsc1C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011198 766634722 /nfs/dbraw/zinc/63/47/22/766634722.db2.gz ANJVZBBYMCMPRV-OCCSQVGLSA-N 1 1 348.476 0.725 20 30 ECEDMO Cc1nnsc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011198 766634725 /nfs/dbraw/zinc/63/47/25/766634725.db2.gz ANJVZBBYMCMPRV-OCCSQVGLSA-N 1 1 348.476 0.725 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)ncn1 ZINC001046011639 766636972 /nfs/dbraw/zinc/63/69/72/766636972.db2.gz FNNGFSFRRZDZIS-YOEHRIQHSA-N 1 1 342.447 0.663 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001046012347 766639918 /nfs/dbraw/zinc/63/99/18/766639918.db2.gz OCIIPBZPQVZOSS-DOTOQJQBSA-N 1 1 327.432 0.960 20 30 ECEDMO Cc1nocc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046013243 766642574 /nfs/dbraw/zinc/64/25/74/766642574.db2.gz VIYWXHYGUSGGJK-BBRMVZONSA-N 1 1 331.420 0.861 20 30 ECEDMO N#Cc1cc(C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)c[nH]1 ZINC001046021402 766666356 /nfs/dbraw/zinc/66/63/56/766666356.db2.gz FRNAFJOBJWVHKP-MRXNPFEDSA-N 1 1 331.420 0.101 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3N)CC2)C1 ZINC001046021976 766667474 /nfs/dbraw/zinc/66/74/74/766667474.db2.gz INSUJBKTEYVTKY-HNNXBMFYSA-N 1 1 346.479 0.801 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 ZINC001046025101 766677645 /nfs/dbraw/zinc/67/76/45/766677645.db2.gz UDWOQUJGZHVXDC-HNNXBMFYSA-N 1 1 348.447 0.777 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cccc(C)c2)C1 ZINC000994750406 766686388 /nfs/dbraw/zinc/68/63/88/766686388.db2.gz IFSCHCCZLYWKEE-SFHVURJKSA-N 1 1 339.439 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cccc(C)c2)C1 ZINC000994750406 766686396 /nfs/dbraw/zinc/68/63/96/766686396.db2.gz IFSCHCCZLYWKEE-SFHVURJKSA-N 1 1 339.439 0.962 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1OC ZINC001212262588 766691024 /nfs/dbraw/zinc/69/10/24/766691024.db2.gz TVGBDQUGHRLCDS-ZIAGYGMSSA-N 1 1 337.445 0.807 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1OC ZINC001212262588 766691027 /nfs/dbraw/zinc/69/10/27/766691027.db2.gz TVGBDQUGHRLCDS-ZIAGYGMSSA-N 1 1 337.445 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C2CCOCC2)C1 ZINC001016670333 766698911 /nfs/dbraw/zinc/69/89/11/766698911.db2.gz KPKUQYZIPYDMTF-JCYILVPMSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C2CCOCC2)C1 ZINC001016670333 766698916 /nfs/dbraw/zinc/69/89/16/766698916.db2.gz KPKUQYZIPYDMTF-JCYILVPMSA-N 1 1 347.459 0.616 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)c3ccnn3C)CC2)C1 ZINC001046031138 766699482 /nfs/dbraw/zinc/69/94/82/766699482.db2.gz KBCFTBCDIIPJSH-DLBZAZTESA-N 1 1 343.475 0.765 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC001046034897 766716441 /nfs/dbraw/zinc/71/64/41/766716441.db2.gz YJLIYNQVVUKDTM-GOSISDBHSA-N 1 1 343.475 0.513 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cnc(C)o3)CC2)C1 ZINC001046035000 766717743 /nfs/dbraw/zinc/71/77/43/766717743.db2.gz ASDQPLRFMHZLOX-INIZCTEOSA-N 1 1 330.432 0.767 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nnn3CC)CC2)C1 ZINC001046035587 766721465 /nfs/dbraw/zinc/72/14/65/766721465.db2.gz QBISLKNLDRJKCB-MRXNPFEDSA-N 1 1 344.463 0.462 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)COc3cc(C)on3)CC2)C1 ZINC001046036896 766728983 /nfs/dbraw/zinc/72/89/83/766728983.db2.gz IVLSNAROQKHPKS-HNNXBMFYSA-N 1 1 332.404 0.214 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnn3CCOC)CC2)C1 ZINC001046038856 766739022 /nfs/dbraw/zinc/73/90/22/766739022.db2.gz LCYIAKOFTSMYFD-INIZCTEOSA-N 1 1 347.463 0.548 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)C1 ZINC001046038594 766739491 /nfs/dbraw/zinc/73/94/91/766739491.db2.gz NBFNWSXQUOFHMZ-HUUCEWRRSA-N 1 1 343.493 0.214 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)C1 ZINC001046038594 766739493 /nfs/dbraw/zinc/73/94/93/766739493.db2.gz NBFNWSXQUOFHMZ-HUUCEWRRSA-N 1 1 343.493 0.214 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)C1 ZINC001046038555 766739668 /nfs/dbraw/zinc/73/96/68/766739668.db2.gz NBFNWSXQUOFHMZ-CABCVRRESA-N 1 1 343.493 0.214 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)C1 ZINC001046038555 766739671 /nfs/dbraw/zinc/73/96/71/766739671.db2.gz NBFNWSXQUOFHMZ-CABCVRRESA-N 1 1 343.493 0.214 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046039219 766741903 /nfs/dbraw/zinc/74/19/03/766741903.db2.gz OGQJUFXPSZAVGQ-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)n3cnc(C)c3)CC2)C1 ZINC001046039649 766744021 /nfs/dbraw/zinc/74/40/21/766744021.db2.gz UNACKKBGIPTKRL-QGZVFWFLSA-N 1 1 343.475 0.778 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)C1 ZINC001046040933 766749824 /nfs/dbraw/zinc/74/98/24/766749824.db2.gz MAWWGDFBGPTKDU-KRWDZBQOSA-N 1 1 340.427 0.251 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nncn4C3)CCC[C@@H]12 ZINC000992513447 766752618 /nfs/dbraw/zinc/75/26/18/766752618.db2.gz VUZPLAJQKPDUTO-IIDMSEBBSA-N 1 1 327.432 0.977 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncc3C)CC2)C1 ZINC001046043488 766762347 /nfs/dbraw/zinc/76/23/47/766762347.db2.gz GYYTYGCACUYONA-QGZVFWFLSA-N 1 1 331.464 0.986 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(C)c2Cl)C1 ZINC000994767685 766768687 /nfs/dbraw/zinc/76/86/87/766768687.db2.gz GQMFXNQPUKAOIS-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(C)c2Cl)C1 ZINC000994767685 766768693 /nfs/dbraw/zinc/76/86/93/766768693.db2.gz GQMFXNQPUKAOIS-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H](C)c3cnn(C)c3)CC2)C1 ZINC001046046091 766773088 /nfs/dbraw/zinc/77/30/88/766773088.db2.gz VXGWRKQEXDPEKB-FUHWJXTLSA-N 1 1 343.475 0.765 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3nccn3C)CC2)C1 ZINC001046046803 766775533 /nfs/dbraw/zinc/77/55/33/766775533.db2.gz DOXAPGUFXPBCDX-INIZCTEOSA-N 1 1 331.464 0.757 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001046048961 766781929 /nfs/dbraw/zinc/78/19/29/766781929.db2.gz GYLFJZDGVLSJPF-HUUCEWRRSA-N 1 1 336.480 0.681 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC001046050067 766785395 /nfs/dbraw/zinc/78/53/95/766785395.db2.gz DAYIZPDVYKFWPV-HNNXBMFYSA-N 1 1 345.447 0.284 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC001046050913 766789269 /nfs/dbraw/zinc/78/92/69/766789269.db2.gz SQTKLNIDNQKAKF-OAHLLOKOSA-N 1 1 347.463 0.837 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)ccn3)CC2)C1 ZINC001046050871 766789552 /nfs/dbraw/zinc/78/95/52/766789552.db2.gz RXCDEFLYKOKYBL-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046053936 766798862 /nfs/dbraw/zinc/79/88/62/766798862.db2.gz HPFWXRNYHIQNOY-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC001046059731 766823546 /nfs/dbraw/zinc/82/35/46/766823546.db2.gz NQKQRKZMRNMBML-OAHLLOKOSA-N 1 1 344.415 0.234 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC001046059900 766824946 /nfs/dbraw/zinc/82/49/46/766824946.db2.gz RCIVUYRXTMIGSZ-HNNXBMFYSA-N 1 1 344.415 0.234 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(F)F)n[nH]3)CC2)C1 ZINC001046060476 766825490 /nfs/dbraw/zinc/82/54/90/766825490.db2.gz AJTHOPLKTNUCIX-LBPRGKRZSA-N 1 1 337.374 0.813 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001046062336 766833263 /nfs/dbraw/zinc/83/32/63/766833263.db2.gz FMNULMSDHHMBRS-IXDOHACOSA-N 1 1 346.475 0.130 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cn[nH]n3)CC2)C1 ZINC001046063265 766837860 /nfs/dbraw/zinc/83/78/60/766837860.db2.gz NNVMJULEWSPBAR-MRXNPFEDSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001046063265 766837870 /nfs/dbraw/zinc/83/78/70/766837870.db2.gz NNVMJULEWSPBAR-MRXNPFEDSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001046063265 766837880 /nfs/dbraw/zinc/83/78/80/766837880.db2.gz NNVMJULEWSPBAR-MRXNPFEDSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001046063265 766837889 /nfs/dbraw/zinc/83/78/89/766837889.db2.gz NNVMJULEWSPBAR-MRXNPFEDSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001046063265 766837900 /nfs/dbraw/zinc/83/79/00/766837900.db2.gz NNVMJULEWSPBAR-MRXNPFEDSA-N 1 1 332.452 0.532 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001046063117 766838567 /nfs/dbraw/zinc/83/85/67/766838567.db2.gz MEORBPZCWFPAIR-IXDOHACOSA-N 1 1 346.475 0.130 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(OC2CN(C(=O)CC)C2)CC1 ZINC000994799935 766843488 /nfs/dbraw/zinc/84/34/88/766843488.db2.gz FCJABQAOTWFIJP-KRWDZBQOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(OC2CN(C(=O)CC)C2)CC1 ZINC000994799935 766843494 /nfs/dbraw/zinc/84/34/94/766843494.db2.gz FCJABQAOTWFIJP-KRWDZBQOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(CF)CCOCC3)CC2)C1 ZINC001046064377 766844361 /nfs/dbraw/zinc/84/43/61/766844361.db2.gz MBEJYBHHQOQSRY-MRXNPFEDSA-N 1 1 337.439 0.604 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)C1 ZINC001046065299 766848200 /nfs/dbraw/zinc/84/82/00/766848200.db2.gz KFFMEDUUNOVWHU-OAHLLOKOSA-N 1 1 329.448 0.998 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)C1 ZINC001046065299 766848208 /nfs/dbraw/zinc/84/82/08/766848208.db2.gz KFFMEDUUNOVWHU-OAHLLOKOSA-N 1 1 329.448 0.998 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)C1 ZINC001046065299 766848216 /nfs/dbraw/zinc/84/82/16/766848216.db2.gz KFFMEDUUNOVWHU-OAHLLOKOSA-N 1 1 329.448 0.998 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC001046068150 766861375 /nfs/dbraw/zinc/86/13/75/766861375.db2.gz FPGSHQPIZRCIFE-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC001046068449 766862361 /nfs/dbraw/zinc/86/23/61/766862361.db2.gz LLFBATKBKXBFDN-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC001046068937 766865482 /nfs/dbraw/zinc/86/54/82/766865482.db2.gz XPFSJPXOHFPPJT-HNNXBMFYSA-N 1 1 345.447 0.893 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)C1 ZINC001046069239 766868495 /nfs/dbraw/zinc/86/84/95/766868495.db2.gz DUXKAZKREDEPJP-ZDUSSCGKSA-N 1 1 348.472 0.865 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4cccnn34)CC2)C1 ZINC001046070129 766872332 /nfs/dbraw/zinc/87/23/32/766872332.db2.gz LSJMHURJPNVPTA-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)S(C)(=O)=O)CC2)C1 ZINC001046071295 766878166 /nfs/dbraw/zinc/87/81/66/766878166.db2.gz VGRWCBLYMDKPPY-AWEZNQCLSA-N 1 1 343.493 0.214 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)S(C)(=O)=O)CC2)C1 ZINC001046071295 766878175 /nfs/dbraw/zinc/87/81/75/766878175.db2.gz VGRWCBLYMDKPPY-AWEZNQCLSA-N 1 1 343.493 0.214 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(C)nc3C)CC2)C1 ZINC001046072466 766880448 /nfs/dbraw/zinc/88/04/48/766880448.db2.gz FTLKBUYQUIKPCE-QGZVFWFLSA-N 1 1 341.459 0.949 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(=O)NC ZINC001089654178 766892726 /nfs/dbraw/zinc/89/27/26/766892726.db2.gz VEPYPFQJOSJHIM-HOTGVXAUSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=O)NC ZINC001089654178 766892736 /nfs/dbraw/zinc/89/27/36/766892736.db2.gz VEPYPFQJOSJHIM-HOTGVXAUSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)CN1CC(=O)NC ZINC001089654178 766892746 /nfs/dbraw/zinc/89/27/46/766892746.db2.gz VEPYPFQJOSJHIM-HOTGVXAUSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)CN1CC(=O)NC ZINC001089654178 766892756 /nfs/dbraw/zinc/89/27/56/766892756.db2.gz VEPYPFQJOSJHIM-HOTGVXAUSA-N 1 1 348.491 0.437 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C(C)C)nn3)CC2)C1 ZINC001046074906 766893615 /nfs/dbraw/zinc/89/36/15/766893615.db2.gz KSJVDRIGKMXZIK-MRXNPFEDSA-N 1 1 344.463 0.714 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncccc3OC)CC2)C1 ZINC001046080537 766917263 /nfs/dbraw/zinc/91/72/63/766917263.db2.gz PCDYRFGJSJNPCT-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001031731490 766920924 /nfs/dbraw/zinc/92/09/24/766920924.db2.gz ZNISHHTVTCTCTK-UHFFFAOYSA-N 1 1 330.432 0.958 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC001046082597 766921975 /nfs/dbraw/zinc/92/19/75/766921975.db2.gz XZCANVLXIBPCSD-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC001046082713 766922120 /nfs/dbraw/zinc/92/21/20/766922120.db2.gz ZULOOAKBTUXNQS-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC001046082984 766922271 /nfs/dbraw/zinc/92/22/71/766922271.db2.gz ZKBXCYYGZVFXHV-QGZVFWFLSA-N 1 1 344.459 0.643 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc(C)n3)CC2)C1 ZINC001046083901 766923361 /nfs/dbraw/zinc/92/33/61/766923361.db2.gz DPINCGRWYVDPDE-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)c3cnn(C)c3)CC2)C1 ZINC001046085550 766927385 /nfs/dbraw/zinc/92/73/85/766927385.db2.gz BELNCHPIZQYKKQ-AEFFLSMTSA-N 1 1 343.475 0.765 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)c3cnn(C)c3)CC2)C1 ZINC001046086051 766928029 /nfs/dbraw/zinc/92/80/29/766928029.db2.gz GKOQHMUDIZVVIW-SJLPKXTDSA-N 1 1 343.475 0.765 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046086083 766928100 /nfs/dbraw/zinc/92/81/00/766928100.db2.gz SXVKSLFJWRSLNE-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC)C1)CO2 ZINC001053820634 766934680 /nfs/dbraw/zinc/93/46/80/766934680.db2.gz HPPHWMFSQFEUET-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001089660728 766937130 /nfs/dbraw/zinc/93/71/30/766937130.db2.gz OSKGZHFONHXRJB-KBPBESRZSA-N 1 1 345.447 0.786 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001089660731 766937681 /nfs/dbraw/zinc/93/76/81/766937681.db2.gz OSKGZHFONHXRJB-ZIAGYGMSSA-N 1 1 345.447 0.786 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CCC1 ZINC001046119501 766947600 /nfs/dbraw/zinc/94/76/00/766947600.db2.gz AVCJGZQLIFDYQK-LSDHHAIUSA-N 1 1 349.475 0.620 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001046120140 766948726 /nfs/dbraw/zinc/94/87/26/766948726.db2.gz RDAVAXQCSHHEOB-CQSZACIVSA-N 1 1 335.448 0.374 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CO2 ZINC001053827008 766953739 /nfs/dbraw/zinc/95/37/39/766953739.db2.gz PHHJLZCLMCNQEJ-DLBZAZTESA-N 1 1 333.476 0.947 20 30 ECEDMO C=CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CO2 ZINC001053827043 766953935 /nfs/dbraw/zinc/95/39/35/766953935.db2.gz QEBMVFUWQRIYEM-WBVHZDCISA-N 1 1 349.475 0.775 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CO2 ZINC001053827009 766953997 /nfs/dbraw/zinc/95/39/97/766953997.db2.gz PHHJLZCLMCNQEJ-IAGOWNOFSA-N 1 1 333.476 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001046124506 766954513 /nfs/dbraw/zinc/95/45/13/766954513.db2.gz IGOLGEOCCHZXNK-DYVFJYSZSA-N 1 1 345.403 0.163 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CO2 ZINC001053828695 766959455 /nfs/dbraw/zinc/95/94/55/766959455.db2.gz XTIKEUCXZSDVGD-SJORKVTESA-N 1 1 333.476 0.947 20 30 ECEDMO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001089671192 766973365 /nfs/dbraw/zinc/97/33/65/766973365.db2.gz ZCHNFCNXSLCIDL-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@H](OC)C1 ZINC001212270235 766978711 /nfs/dbraw/zinc/97/87/11/766978711.db2.gz JWDKGMQOYYQYPQ-BFHYXJOUSA-N 1 1 347.481 0.096 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(C)s2)C1 ZINC001031740417 766983511 /nfs/dbraw/zinc/98/35/11/766983511.db2.gz BQASGPMQAKQBPP-AWEZNQCLSA-N 1 1 333.461 0.492 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(C)s2)C1 ZINC001031740417 766983514 /nfs/dbraw/zinc/98/35/14/766983514.db2.gz BQASGPMQAKQBPP-AWEZNQCLSA-N 1 1 333.461 0.492 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nnc(C)[nH]2)C1 ZINC001031740375 766990481 /nfs/dbraw/zinc/99/04/81/766990481.db2.gz ANLKBEVRMMNEQE-WFASDCNBSA-N 1 1 330.436 0.320 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nnc(C)[nH]2)C1 ZINC001031740375 766990486 /nfs/dbraw/zinc/99/04/86/766990486.db2.gz ANLKBEVRMMNEQE-WFASDCNBSA-N 1 1 330.436 0.320 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2ncccn2)C1 ZINC001031742358 766996813 /nfs/dbraw/zinc/99/68/13/766996813.db2.gz BXBUGWKHHGQKNO-HOCLYGCPSA-N 1 1 327.432 0.683 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2ncccn2)C1 ZINC001031742358 766996818 /nfs/dbraw/zinc/99/68/18/766996818.db2.gz BXBUGWKHHGQKNO-HOCLYGCPSA-N 1 1 327.432 0.683 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001046176120 767020590 /nfs/dbraw/zinc/02/05/90/767020590.db2.gz WBJIJNJIYKRYTH-MAUKXSAKSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001046176120 767020606 /nfs/dbraw/zinc/02/06/06/767020606.db2.gz WBJIJNJIYKRYTH-MAUKXSAKSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)CO2 ZINC001053853434 767027046 /nfs/dbraw/zinc/02/70/46/767027046.db2.gz FNYPLJYYVWCNJC-GFCCVEGCSA-N 1 1 343.387 0.813 20 30 ECEDMO C=C(Br)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127575802 767047260 /nfs/dbraw/zinc/04/72/60/767047260.db2.gz BWPMWPLSWFRTGC-UHFFFAOYSA-N 1 1 344.257 0.673 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001016859070 767047874 /nfs/dbraw/zinc/04/78/74/767047874.db2.gz KKRHYADMIANBBU-GJZGRUSLSA-N 1 1 338.473 0.805 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nccnc3N)C2)C1=O ZINC001046204300 767058174 /nfs/dbraw/zinc/05/81/74/767058174.db2.gz MMQJGFITADLYQD-YVEFUNNKSA-N 1 1 344.419 0.040 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3nccnc3N)C2)C1=O ZINC001046204300 767058178 /nfs/dbraw/zinc/05/81/78/767058178.db2.gz MMQJGFITADLYQD-YVEFUNNKSA-N 1 1 344.419 0.040 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cncn3)c2)[C@@H](O)C1 ZINC001083765726 767077547 /nfs/dbraw/zinc/07/75/47/767077547.db2.gz SBLVHBBTAVGKOS-CVEARBPZSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3n[nH]nc31)CO2 ZINC001053867866 767079115 /nfs/dbraw/zinc/07/91/15/767079115.db2.gz VGJDSQHBYAXGTD-LBPRGKRZSA-N 1 1 342.403 0.892 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001046220617 767088332 /nfs/dbraw/zinc/08/83/32/767088332.db2.gz VCMXOBNWZSUNPZ-ICSRJNTNSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001046220617 767088341 /nfs/dbraw/zinc/08/83/41/767088341.db2.gz VCMXOBNWZSUNPZ-ICSRJNTNSA-N 1 1 341.455 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001046222517 767090643 /nfs/dbraw/zinc/09/06/43/767090643.db2.gz VRDJUBQBPYNCGX-RDTXWAMCSA-N 1 1 344.415 0.768 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1 ZINC000068444871 767103003 /nfs/dbraw/zinc/10/30/03/767103003.db2.gz CLMBWKYQFVYCOP-UHFFFAOYSA-N 1 1 327.428 0.903 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001089710102 767112353 /nfs/dbraw/zinc/11/23/53/767112353.db2.gz AXTZJCSQXRGMTE-CQSZACIVSA-N 1 1 333.432 0.669 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)C3=CCOCC3)C2)C1=O ZINC001046264652 767116945 /nfs/dbraw/zinc/11/69/45/767116945.db2.gz SVWQJYUFZRILPR-MAUKXSAKSA-N 1 1 333.432 0.701 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046287026 767128408 /nfs/dbraw/zinc/12/84/08/767128408.db2.gz HUCSLPIQHBXRHT-WMLDXEAASA-N 1 1 328.372 0.747 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046288958 767129510 /nfs/dbraw/zinc/12/95/10/767129510.db2.gz QSDNOFDNYBIWFR-YJBOKZPZSA-N 1 1 345.374 0.866 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046288958 767129511 /nfs/dbraw/zinc/12/95/11/767129511.db2.gz QSDNOFDNYBIWFR-YJBOKZPZSA-N 1 1 345.374 0.866 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046289355 767129765 /nfs/dbraw/zinc/12/97/65/767129765.db2.gz UQWGLELLCSSWGW-YOEHRIQHSA-N 1 1 328.372 0.747 20 30 ECEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001089736012 767137257 /nfs/dbraw/zinc/13/72/57/767137257.db2.gz SNEDSGXWKSWJQT-ZIAGYGMSSA-N 1 1 343.493 0.861 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001046313870 767141967 /nfs/dbraw/zinc/14/19/67/767141967.db2.gz XMXAZMFVAWAYEB-KDOFPFPSSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001046313870 767141968 /nfs/dbraw/zinc/14/19/68/767141968.db2.gz XMXAZMFVAWAYEB-KDOFPFPSSA-N 1 1 345.447 0.710 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCCC2=O)C1 ZINC001089768919 767149785 /nfs/dbraw/zinc/14/97/85/767149785.db2.gz FVFGBZMMDXQOHE-QAETUUGQSA-N 1 1 329.444 0.801 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C)c1C ZINC001089788208 767180474 /nfs/dbraw/zinc/18/04/74/767180474.db2.gz JLASQLIXRDNRNJ-JONQDZQNSA-N 1 1 327.432 0.929 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001212316203 767207236 /nfs/dbraw/zinc/20/72/36/767207236.db2.gz LDWFADDNRFOIOH-HBNTYKKESA-N 1 1 337.342 0.445 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001212316203 767207237 /nfs/dbraw/zinc/20/72/37/767207237.db2.gz LDWFADDNRFOIOH-HBNTYKKESA-N 1 1 337.342 0.445 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)c(C)n[nH]c1=O)CO2 ZINC001053889028 767227745 /nfs/dbraw/zinc/22/77/45/767227745.db2.gz YUDLGKVBNCBXPK-CYBMUJFWSA-N 1 1 332.404 0.948 20 30 ECEDMO Cn1ncnc1C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805670 767233668 /nfs/dbraw/zinc/23/36/68/767233668.db2.gz KYGUQPIIXXUMPC-NXOAAHMSSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1ncnc1C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805670 767233669 /nfs/dbraw/zinc/23/36/69/767233669.db2.gz KYGUQPIIXXUMPC-NXOAAHMSSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1nncc1C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805879 767233904 /nfs/dbraw/zinc/23/39/04/767233904.db2.gz LZCODRGMSIRYMZ-RANZSIQMSA-N 1 1 339.443 0.897 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC(=O)NC3)C2)c1 ZINC001031804317 767237351 /nfs/dbraw/zinc/23/73/51/767237351.db2.gz XDQWNTHLMUETHV-MRXNPFEDSA-N 1 1 326.400 0.632 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1 ZINC001078284733 782613812 /nfs/dbraw/zinc/61/38/12/782613812.db2.gz HQKVJWRLKFYVSH-GDBMZVCRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089819837 767309568 /nfs/dbraw/zinc/30/95/68/767309568.db2.gz JAHQFSZRZMAKNY-FZKCQIBNSA-N 1 1 333.432 0.200 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046588682 767338690 /nfs/dbraw/zinc/33/86/90/767338690.db2.gz QZVDHCFHTLRJEQ-PBHICJAKSA-N 1 1 327.388 0.320 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046588682 767338700 /nfs/dbraw/zinc/33/87/00/767338700.db2.gz QZVDHCFHTLRJEQ-PBHICJAKSA-N 1 1 327.388 0.320 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001106147115 767368641 /nfs/dbraw/zinc/36/86/41/767368641.db2.gz KNDHCGJJBVMLGF-GDBMZVCRSA-N 1 1 331.420 0.139 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3ccc4nnnn4c3)C2)c1 ZINC001031844284 767369811 /nfs/dbraw/zinc/36/98/11/767369811.db2.gz IVSXDXQXLSLBPO-UHFFFAOYSA-N 1 1 347.382 0.858 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2COC3(CN(CC#N)C3)C2)C1 ZINC001053925381 767378146 /nfs/dbraw/zinc/37/81/46/767378146.db2.gz JQHIURORAXQPLB-SUMWQHHRSA-N 1 1 338.427 0.682 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)no1 ZINC000995006403 767379069 /nfs/dbraw/zinc/37/90/69/767379069.db2.gz SZLWEMQRELPBAI-UHFFFAOYSA-N 1 1 342.359 0.190 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNc2ncc(C#N)cc2F)CC[N@H+]1C ZINC001106153007 767386009 /nfs/dbraw/zinc/38/60/09/767386009.db2.gz NKEZFCRSSKOTNV-KGYLQXTDSA-N 1 1 335.383 0.322 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046628737 767395811 /nfs/dbraw/zinc/39/58/11/767395811.db2.gz PCNRSVAHCFTWSG-QWQRMKEZSA-N 1 1 344.390 0.899 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046628737 767395822 /nfs/dbraw/zinc/39/58/22/767395822.db2.gz PCNRSVAHCFTWSG-QWQRMKEZSA-N 1 1 344.390 0.899 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1CNCC#N ZINC001106156709 767401208 /nfs/dbraw/zinc/40/12/08/767401208.db2.gz LTZOKTJQFAFKOH-XJKCOSOUSA-N 1 1 330.436 0.998 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1CNCC#N ZINC001106156709 767401211 /nfs/dbraw/zinc/40/12/11/767401211.db2.gz LTZOKTJQFAFKOH-XJKCOSOUSA-N 1 1 330.436 0.998 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046642809 767412299 /nfs/dbraw/zinc/41/22/99/767412299.db2.gz UIZBWSZQKPMWFG-ZNMIVQPWSA-N 1 1 338.415 0.174 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046642809 767412305 /nfs/dbraw/zinc/41/23/05/767412305.db2.gz UIZBWSZQKPMWFG-ZNMIVQPWSA-N 1 1 338.415 0.174 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2coc(C(N)=O)c2)C1 ZINC001089839108 767434881 /nfs/dbraw/zinc/43/48/81/767434881.db2.gz PRJZWSNGCUYIDH-MXAVVETBSA-N 1 1 327.384 0.794 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@H]1C ZINC001106167281 767452274 /nfs/dbraw/zinc/45/22/74/767452274.db2.gz UIDNVKUKFDRUJT-ZIAGYGMSSA-N 1 1 341.415 0.905 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001046677508 767463784 /nfs/dbraw/zinc/46/37/84/767463784.db2.gz BMOAHHKAMRGQAY-FZKQIMNGSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001046677508 767463788 /nfs/dbraw/zinc/46/37/88/767463788.db2.gz BMOAHHKAMRGQAY-FZKQIMNGSA-N 1 1 329.400 0.767 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001046681536 767471696 /nfs/dbraw/zinc/47/16/96/767471696.db2.gz OJLOAXXFOFTAIS-PXAZEXFGSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001046681536 767471700 /nfs/dbraw/zinc/47/17/00/767471700.db2.gz OJLOAXXFOFTAIS-PXAZEXFGSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001046692046 767491795 /nfs/dbraw/zinc/49/17/95/767491795.db2.gz OCXXVKMRKQTETJ-CABCVRRESA-N 1 1 349.475 0.620 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001046695379 767498396 /nfs/dbraw/zinc/49/83/96/767498396.db2.gz GCMCYNUZDZUZGH-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC[C@H]1CC)CO2 ZINC001053974141 767502280 /nfs/dbraw/zinc/50/22/80/767502280.db2.gz HWNUXDBORYMFEW-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCCN(C)C1=O)CO2 ZINC001053980705 767520655 /nfs/dbraw/zinc/52/06/55/767520655.db2.gz BVQBOSAVFCDCBL-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)cn1 ZINC001053984573 767531690 /nfs/dbraw/zinc/53/16/90/767531690.db2.gz AFXFHXHFJUJKKI-RHSMWYFYSA-N 1 1 341.411 0.673 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(C(N)=O)c1)CO2 ZINC001054008625 767585817 /nfs/dbraw/zinc/58/58/17/767585817.db2.gz CJWIZAVLOPLOOM-CYBMUJFWSA-N 1 1 332.404 0.653 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cncc(C(N)=O)c1)CO2 ZINC001054010390 767592128 /nfs/dbraw/zinc/59/21/28/767592128.db2.gz RFYKBOQRDFSDFU-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@@H]1CCNC1=O ZINC001017109281 767601027 /nfs/dbraw/zinc/60/10/27/767601027.db2.gz IUCDPYTWNOQNES-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC(=O)N(C)C1)CO2 ZINC001054018172 767610704 /nfs/dbraw/zinc/61/07/04/767610704.db2.gz YHZCVPPHZLPSCA-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)cn1)CO2 ZINC001054021872 767616984 /nfs/dbraw/zinc/61/69/84/767616984.db2.gz WPCUALZUUSNVFN-CYBMUJFWSA-N 1 1 330.388 0.330 20 30 ECEDMO CC#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001054036610 767635516 /nfs/dbraw/zinc/63/55/16/767635516.db2.gz OUDBFIZGKLRXQT-RBUKOAKNSA-N 1 1 341.455 0.883 20 30 ECEDMO CC#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001054036610 767635520 /nfs/dbraw/zinc/63/55/20/767635520.db2.gz OUDBFIZGKLRXQT-RBUKOAKNSA-N 1 1 341.455 0.883 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001060476418 767686640 /nfs/dbraw/zinc/68/66/40/767686640.db2.gz LXMYSNBYUZXYBW-YRSMIWHRSA-N 1 1 340.431 0.405 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001060476385 767686749 /nfs/dbraw/zinc/68/67/49/767686749.db2.gz JUBBRWWXEGNECW-XMSFWSCYSA-N 1 1 325.416 0.702 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]21 ZINC001060476468 767688646 /nfs/dbraw/zinc/68/86/46/767688646.db2.gz RMRMRDFNUJBNFX-DOCVPZNWSA-N 1 1 343.406 0.841 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017195466 767711612 /nfs/dbraw/zinc/71/16/12/767711612.db2.gz UUWJTKSZPLAKIV-CYBMUJFWSA-N 1 1 332.379 0.853 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@]2(CC[N@H+]([C@H]3CCCNC3=O)C2)C1 ZINC001054130649 767724814 /nfs/dbraw/zinc/72/48/14/767724814.db2.gz VKWJLNUXXHKEPJ-LPHOPBHVSA-N 1 1 329.444 0.993 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)N1C(=O)CCC1=O)C2 ZINC001054141740 767736457 /nfs/dbraw/zinc/73/64/57/767736457.db2.gz OQTLPIZZRYYWTQ-KDOFPFPSSA-N 1 1 331.416 0.472 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCN1C(=O)CCC1=O)C2 ZINC001054162064 767760946 /nfs/dbraw/zinc/76/09/46/767760946.db2.gz WCBCZTLLKCOPSL-GOSISDBHSA-N 1 1 331.416 0.473 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001054186763 767786329 /nfs/dbraw/zinc/78/63/29/767786329.db2.gz DERIUJKFIXLJIE-IUODEOHRSA-N 1 1 326.828 0.735 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001054186764 767786432 /nfs/dbraw/zinc/78/64/32/767786432.db2.gz DERIUJKFIXLJIE-SWLSCSKDSA-N 1 1 326.828 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)c1 ZINC001054194124 767793323 /nfs/dbraw/zinc/79/33/23/767793323.db2.gz KGJJBKBKPXQZHI-IFXJQAMLSA-N 1 1 340.427 0.865 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001054197304 767796048 /nfs/dbraw/zinc/79/60/48/767796048.db2.gz VOHYHPFFGRNPRR-DAYGRLMNSA-N 1 1 333.432 0.357 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccnc3nc(C)nn31)C2 ZINC001054225894 767832564 /nfs/dbraw/zinc/83/25/64/767832564.db2.gz CUYDFENEYCBWFC-SFHVURJKSA-N 1 1 338.415 0.994 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)nc1 ZINC001054229118 767836983 /nfs/dbraw/zinc/83/69/83/767836983.db2.gz KOLQDFPEBXCQNJ-AUUYWEPGSA-N 1 1 340.427 0.865 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3csc(=O)[nH]3)C2)c1 ZINC001077539949 768398294 /nfs/dbraw/zinc/39/82/94/768398294.db2.gz QIVQLNUFDOJWND-TZMCWYRMSA-N 1 1 344.396 0.695 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3csc(=O)[nH]3)C2)c1 ZINC001077539949 768398302 /nfs/dbraw/zinc/39/83/02/768398302.db2.gz QIVQLNUFDOJWND-TZMCWYRMSA-N 1 1 344.396 0.695 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccncc2C#N)C1 ZINC001106539505 768419114 /nfs/dbraw/zinc/41/91/14/768419114.db2.gz NNVNXSXRUGKKHJ-PBHICJAKSA-N 1 1 345.447 0.791 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccncc2C#N)C1 ZINC001106539505 768419117 /nfs/dbraw/zinc/41/91/17/768419117.db2.gz NNVNXSXRUGKKHJ-PBHICJAKSA-N 1 1 345.447 0.791 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993206081 768479050 /nfs/dbraw/zinc/47/90/50/768479050.db2.gz STWIHFCLHYMECO-NHYWBVRUSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993206081 768479055 /nfs/dbraw/zinc/47/90/55/768479055.db2.gz STWIHFCLHYMECO-NHYWBVRUSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1cnc(C#N)cn1 ZINC001106627673 768526882 /nfs/dbraw/zinc/52/68/82/768526882.db2.gz KIQBFNFBEVMENW-ZFWWWQNUSA-N 1 1 326.404 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1cnc(C#N)cn1 ZINC001106627673 768526886 /nfs/dbraw/zinc/52/68/86/768526886.db2.gz KIQBFNFBEVMENW-ZFWWWQNUSA-N 1 1 326.404 0.753 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1nccnc1C#N ZINC001106627331 768527025 /nfs/dbraw/zinc/52/70/25/768527025.db2.gz BJKJYICOIRTRDC-ZFWWWQNUSA-N 1 1 326.404 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1nccnc1C#N ZINC001106627331 768527030 /nfs/dbraw/zinc/52/70/30/768527030.db2.gz BJKJYICOIRTRDC-ZFWWWQNUSA-N 1 1 326.404 0.753 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N ZINC001055033419 768538692 /nfs/dbraw/zinc/53/86/92/768538692.db2.gz ZYDXZGKOZHRWMT-IPYPFGDCSA-N 1 1 337.387 0.779 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)C1 ZINC001055034227 768539778 /nfs/dbraw/zinc/53/97/78/768539778.db2.gz IDACCFVIACCCCZ-CXTNEJHOSA-N 1 1 326.404 0.526 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCOC)C[C@H]2C1 ZINC001055122740 768582992 /nfs/dbraw/zinc/58/29/92/768582992.db2.gz GODAQYUBSPZJKC-XHSDSOJGSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCOC)C[C@H]2C1 ZINC001055122740 768582998 /nfs/dbraw/zinc/58/29/98/768582998.db2.gz GODAQYUBSPZJKC-XHSDSOJGSA-N 1 1 333.432 0.037 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)CSCC#N)C[C@@H]3C2)C1 ZINC001055182775 768638782 /nfs/dbraw/zinc/63/87/82/768638782.db2.gz HPDVBFVSNGARMY-MELADBBJSA-N 1 1 336.461 0.112 20 30 ECEDMO CCN(CCNc1nc(C)ccc1C#N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001106709695 768696121 /nfs/dbraw/zinc/69/61/21/768696121.db2.gz AMOVIYJHSMQWPW-OAHLLOKOSA-N 1 1 331.420 0.853 20 30 ECEDMO CCN(CCNc1nc(C)ccc1C#N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001106709695 768696126 /nfs/dbraw/zinc/69/61/26/768696126.db2.gz AMOVIYJHSMQWPW-OAHLLOKOSA-N 1 1 331.420 0.853 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001018095291 768716212 /nfs/dbraw/zinc/71/62/12/768716212.db2.gz GYERGRUXZXXFJC-BETUJISGSA-N 1 1 330.388 0.437 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001018095291 768716219 /nfs/dbraw/zinc/71/62/19/768716219.db2.gz GYERGRUXZXXFJC-BETUJISGSA-N 1 1 330.388 0.437 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)(C)NC(=O)NC)C2)nn1 ZINC001098790117 768741279 /nfs/dbraw/zinc/74/12/79/768741279.db2.gz OPBSYNFNBBBQKD-ZDUSSCGKSA-N 1 1 349.439 0.035 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@@H]2C1 ZINC001055312520 768767202 /nfs/dbraw/zinc/76/72/02/768767202.db2.gz JCYMXHKUKGLPEE-NCOADZHNSA-N 1 1 331.460 0.904 20 30 ECEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(F)(F)F)C1 ZINC001111637096 768772159 /nfs/dbraw/zinc/77/21/59/768772159.db2.gz WDOXTDKZCJHJPB-GWCFXTLKSA-N 1 1 332.326 0.549 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(F)(F)F)C1 ZINC001111637096 768772161 /nfs/dbraw/zinc/77/21/61/768772161.db2.gz WDOXTDKZCJHJPB-GWCFXTLKSA-N 1 1 332.326 0.549 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001055372809 768824494 /nfs/dbraw/zinc/82/44/94/768824494.db2.gz DVFOSLYCPZVPBD-IYBDPMFKSA-N 1 1 337.464 0.836 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001055373609 768828382 /nfs/dbraw/zinc/82/83/82/768828382.db2.gz DRUNMVAPVAGWPX-TWMKSMIVSA-N 1 1 349.475 0.835 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001055379874 768837525 /nfs/dbraw/zinc/83/75/25/768837525.db2.gz XFQCGHKOFRHFGZ-LUKYLMHMSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001018214524 768900137 /nfs/dbraw/zinc/90/01/37/768900137.db2.gz SDUMSTXRWKGYIR-GUTXKFCHSA-N 1 1 327.450 0.320 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001018214524 768900149 /nfs/dbraw/zinc/90/01/49/768900149.db2.gz SDUMSTXRWKGYIR-GUTXKFCHSA-N 1 1 327.450 0.320 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)C(C)(F)F)CC1 ZINC001055493112 768934038 /nfs/dbraw/zinc/93/40/38/768934038.db2.gz FXYNVWQSCQRPDP-UHFFFAOYSA-N 1 1 329.391 0.998 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(C#N)n1)C2 ZINC001055509455 768973540 /nfs/dbraw/zinc/97/35/40/768973540.db2.gz JJICBYXBEHJSMX-IYOUNJFTSA-N 1 1 340.431 0.918 20 30 ECEDMO CCN(CCNc1nc(C)cc(C#N)n1)C(=O)CC[NH+]1CCOCC1 ZINC001106798033 769015838 /nfs/dbraw/zinc/01/58/38/769015838.db2.gz KFFUYWGAISTGAE-UHFFFAOYSA-N 1 1 346.435 0.639 20 30 ECEDMO C[C@@H](C[C@H](C)Nc1ccc(C#N)nn1)NC(=O)CC[NH+]1CCOCC1 ZINC001089355003 769088290 /nfs/dbraw/zinc/08/82/90/769088290.db2.gz NRPNBSSHBQOTPB-KBPBESRZSA-N 1 1 346.435 0.766 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 ZINC001042078157 782720828 /nfs/dbraw/zinc/72/08/28/782720828.db2.gz UOISZNLHFBNCFJ-HIFRSBDPSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 ZINC001042078158 782722415 /nfs/dbraw/zinc/72/24/15/782722415.db2.gz UOISZNLHFBNCFJ-UKRRQHHQSA-N 1 1 326.462 0.920 20 30 ECEDMO COCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001018364332 769205643 /nfs/dbraw/zinc/20/56/43/769205643.db2.gz RZUCYRTUQBKKKK-GJZGRUSLSA-N 1 1 336.436 0.175 20 30 ECEDMO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cnn(C)n2)CC1 ZINC001055600183 769226895 /nfs/dbraw/zinc/22/68/95/769226895.db2.gz MTASYTHVAVWILZ-UHFFFAOYSA-N 1 1 348.451 0.338 20 30 ECEDMO Cc1conc1C(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055631972 769305696 /nfs/dbraw/zinc/30/56/96/769305696.db2.gz NLWQKGQONFBKOV-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC(N)=O)[C@@H]1C ZINC000993562069 769319581 /nfs/dbraw/zinc/31/95/81/769319581.db2.gz DKRTUQIXUUCTBJ-DZGCQCFKSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC(N)=O)[C@@H]1C ZINC000993562069 769319592 /nfs/dbraw/zinc/31/95/92/769319592.db2.gz DKRTUQIXUUCTBJ-DZGCQCFKSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2-n2cnnn2)[C@H]1C ZINC000993566347 769326608 /nfs/dbraw/zinc/32/66/08/769326608.db2.gz KHCJVVWMALZSMH-NEPJUHHUSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2-n2cnnn2)[C@H]1C ZINC000993566347 769326617 /nfs/dbraw/zinc/32/66/17/769326617.db2.gz KHCJVVWMALZSMH-NEPJUHHUSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000993570676 769339081 /nfs/dbraw/zinc/33/90/81/769339081.db2.gz QBPGYWRLKULQKK-VXGBXAGGSA-N 1 1 339.417 0.533 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CC2CC2)C1 ZINC001055699229 769445318 /nfs/dbraw/zinc/44/53/18/769445318.db2.gz NGBBXBBZTBAUIV-LPHOPBHVSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CC2CC2)C1 ZINC001055699229 769445329 /nfs/dbraw/zinc/44/53/29/769445329.db2.gz NGBBXBBZTBAUIV-LPHOPBHVSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC001042096069 782755699 /nfs/dbraw/zinc/75/56/99/782755699.db2.gz ANSDKPDEZFBKSD-ZIAGYGMSSA-N 1 1 341.839 0.521 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC001042096069 782755701 /nfs/dbraw/zinc/75/57/01/782755701.db2.gz ANSDKPDEZFBKSD-ZIAGYGMSSA-N 1 1 341.839 0.521 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COC[C@@H]3CCCO3)C2)nn1 ZINC001098795893 769580064 /nfs/dbraw/zinc/58/00/64/769580064.db2.gz HHWRDPDLQUNKNZ-CVEARBPZSA-N 1 1 349.435 0.523 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@H]21 ZINC001042099364 782765353 /nfs/dbraw/zinc/76/53/53/782765353.db2.gz AUXQBBMSAMWIRT-GOEBONIOSA-N 1 1 328.416 0.973 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000993830129 769699388 /nfs/dbraw/zinc/69/93/88/769699388.db2.gz JUBZDMWPNYFELU-TXEJJXNPSA-N 1 1 329.404 0.700 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000993838106 769730713 /nfs/dbraw/zinc/73/07/13/769730713.db2.gz VSOUGZXTTNTNDC-TXEJJXNPSA-N 1 1 329.404 0.700 20 30 ECEDMO O=C(C#CC1CC1)N1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000993929852 769840392 /nfs/dbraw/zinc/84/03/92/769840392.db2.gz QZIBBKNAKAZEDE-QGZVFWFLSA-N 1 1 345.443 0.370 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001018743035 769842414 /nfs/dbraw/zinc/84/24/14/769842414.db2.gz DSFLYYGMUCSBMC-IRXDYDNUSA-N 1 1 346.406 0.718 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001055823704 769858194 /nfs/dbraw/zinc/85/81/94/769858194.db2.gz IHZLBIQFKBYYBA-QAPCUYQASA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001055826070 769868528 /nfs/dbraw/zinc/86/85/28/769868528.db2.gz WLJPYNIROURTKT-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H]1C ZINC000993913934 769871598 /nfs/dbraw/zinc/87/15/98/769871598.db2.gz FMYFTTUAXOKQBY-STQMWFEESA-N 1 1 330.392 0.046 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnn(C)c3)[C@H]2C)nn1 ZINC000993941156 769915401 /nfs/dbraw/zinc/91/54/01/769915401.db2.gz ACCJSFCJOSTIAM-DZGCQCFKSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)[C@H]2C)nn1 ZINC000993941156 769915408 /nfs/dbraw/zinc/91/54/08/769915408.db2.gz ACCJSFCJOSTIAM-DZGCQCFKSA-N 1 1 343.435 0.981 20 30 ECEDMO C[C@H](C[C@@H](C)Nc1cnc(C#N)cn1)NC(=O)CC[NH+]1CCOCC1 ZINC001089356462 769957641 /nfs/dbraw/zinc/95/76/41/769957641.db2.gz XRTKZDFVZGNBSG-ZIAGYGMSSA-N 1 1 346.435 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](CC)OC)C2)C1 ZINC001018864075 770131104 /nfs/dbraw/zinc/13/11/04/770131104.db2.gz KSYMYUQKQCOHQD-JKSUJKDBSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](CC)OC)C2)C1 ZINC001018864075 770131110 /nfs/dbraw/zinc/13/11/10/770131110.db2.gz KSYMYUQKQCOHQD-JKSUJKDBSA-N 1 1 347.459 0.570 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001055907178 770171046 /nfs/dbraw/zinc/17/10/46/770171046.db2.gz GSLZLFKVXUDECO-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)nn1 ZINC001055912537 770189846 /nfs/dbraw/zinc/18/98/46/770189846.db2.gz LNEOWMCKZHHQQV-GOEBONIOSA-N 1 1 340.431 0.871 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)nn1 ZINC001055912543 770189979 /nfs/dbraw/zinc/18/99/79/770189979.db2.gz LNEOWMCKZHHQQV-ZBFHGGJFSA-N 1 1 340.431 0.871 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001055934018 770274881 /nfs/dbraw/zinc/27/48/81/770274881.db2.gz ZXLLGLJYLDDPHI-LPHOPBHVSA-N 1 1 349.475 0.457 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001055934569 770277142 /nfs/dbraw/zinc/27/71/42/770277142.db2.gz GJIRJEPPWLSEDK-SFHVURJKSA-N 1 1 337.464 0.456 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@H]21 ZINC001042132599 782827038 /nfs/dbraw/zinc/82/70/38/782827038.db2.gz DYOXEVOXUJYFAY-IUODEOHRSA-N 1 1 340.383 0.582 20 30 ECEDMO C#CC[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C[C@H]1C ZINC001106862280 770385594 /nfs/dbraw/zinc/38/55/94/770385594.db2.gz XCZZJTNILCNCRV-CHWSQXEVSA-N 1 1 326.404 0.741 20 30 ECEDMO CC(C)(C#N)CS(=O)(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000916149711 770418402 /nfs/dbraw/zinc/41/84/02/770418402.db2.gz NAMQPKCFTKDROZ-ZDUSSCGKSA-N 1 1 342.465 0.152 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001042138027 782836355 /nfs/dbraw/zinc/83/63/55/782836355.db2.gz KBXKGDOZGLRKCB-BBRMVZONSA-N 1 1 328.416 0.684 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(C(C)C)o2)C1 ZINC001018986074 770485923 /nfs/dbraw/zinc/48/59/23/770485923.db2.gz QOXUBQZBMLMHEV-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(C(C)C)o2)C1 ZINC001018986074 770485925 /nfs/dbraw/zinc/48/59/25/770485925.db2.gz QOXUBQZBMLMHEV-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C ZINC000994368017 770667662 /nfs/dbraw/zinc/66/76/62/770667662.db2.gz VDNZFNUBMZTVCE-UONOGXRCSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncnc3c2CCC3)CC1 ZINC001056067711 770733995 /nfs/dbraw/zinc/73/39/95/770733995.db2.gz UDZNIWDSKMJSCC-KRWDZBQOSA-N 1 1 339.443 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncnc3c2CCC3)CC1 ZINC001056067711 770733998 /nfs/dbraw/zinc/73/39/98/770733998.db2.gz UDZNIWDSKMJSCC-KRWDZBQOSA-N 1 1 339.443 0.712 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)CC[N@H+](C)CC)nn1 ZINC001078397570 782867557 /nfs/dbraw/zinc/86/75/57/782867557.db2.gz ZWSNHMWUTLEWQF-ZDUSSCGKSA-N 1 1 336.440 0.431 20 30 ECEDMO N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001019110333 770812689 /nfs/dbraw/zinc/81/26/89/770812689.db2.gz VWAOMRXZRFOPCN-HOTGVXAUSA-N 1 1 347.440 0.683 20 30 ECEDMO CCn1ncc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 ZINC001078398538 782869771 /nfs/dbraw/zinc/86/97/71/782869771.db2.gz PTHIOEONVUURQK-INIZCTEOSA-N 1 1 331.420 0.419 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 ZINC001056097787 770819927 /nfs/dbraw/zinc/81/99/27/770819927.db2.gz VMSNDTVMMNMHFI-YOEHRIQHSA-N 1 1 338.452 0.348 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001056127707 770889562 /nfs/dbraw/zinc/88/95/62/770889562.db2.gz GVUBNWREPYDOHM-VQIMIIECSA-N 1 1 349.475 0.457 20 30 ECEDMO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)c(C#N)cn1 ZINC001056150950 770940315 /nfs/dbraw/zinc/94/03/15/770940315.db2.gz ZSFNDGOMLDPKPW-QSJFSLAZSA-N 1 1 325.416 0.907 20 30 ECEDMO CCc1nc(C#N)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001056228413 771021143 /nfs/dbraw/zinc/02/11/43/771021143.db2.gz RFIQUUQCDUXBFW-HVOFVXBASA-N 1 1 340.431 0.413 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056314228 771111047 /nfs/dbraw/zinc/11/10/47/771111047.db2.gz LHCCFFFQWRKASJ-BZUAXINKSA-N 1 1 335.448 0.875 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC)[C@@H]3C2)cc1 ZINC001042180633 782900608 /nfs/dbraw/zinc/90/06/08/782900608.db2.gz WGUQUHPUYWSIIP-DOTOQJQBSA-N 1 1 325.412 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC)[C@@H]3C2)cc1 ZINC001042180633 782900609 /nfs/dbraw/zinc/90/06/09/782900609.db2.gz WGUQUHPUYWSIIP-DOTOQJQBSA-N 1 1 325.412 0.950 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)Nc1ccnc(C#N)n1 ZINC001089435133 771167910 /nfs/dbraw/zinc/16/79/10/771167910.db2.gz QOLZVBLQGHFYNJ-VXGBXAGGSA-N 1 1 327.392 0.671 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001056407107 771235788 /nfs/dbraw/zinc/23/57/88/771235788.db2.gz MDUXNVWOUCRTKR-BWUSGFMJSA-N 1 1 325.416 0.846 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001056409701 771240401 /nfs/dbraw/zinc/24/04/01/771240401.db2.gz AWCPPLSTLVDXHH-CTNYNGJSSA-N 1 1 325.416 0.846 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001019407859 771261608 /nfs/dbraw/zinc/26/16/08/771261608.db2.gz ZVFLRGGBDDAYKU-MJBXVCDLSA-N 1 1 334.424 0.365 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001031569839 771311778 /nfs/dbraw/zinc/31/17/78/771311778.db2.gz JCPGEZKVPDITOB-HNNXBMFYSA-N 1 1 331.420 0.177 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056496228 771335325 /nfs/dbraw/zinc/33/53/25/771335325.db2.gz LHCCFFFQWRKASJ-HRCADAONSA-N 1 1 335.448 0.875 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3cnn(C)n3)C2)cc1 ZINC001019479079 771342699 /nfs/dbraw/zinc/34/26/99/771342699.db2.gz VBOXEDGFGBWEDP-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001031583318 771343364 /nfs/dbraw/zinc/34/33/64/771343364.db2.gz QIYPTTCMWOSXRW-OAHLLOKOSA-N 1 1 342.399 0.393 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)s3)C2)nn1 ZINC001019482086 771345853 /nfs/dbraw/zinc/34/58/53/771345853.db2.gz GBKNVBLPTOPPRZ-NSHDSACASA-N 1 1 333.421 0.628 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)C#CC(C)C ZINC001212240771 771350417 /nfs/dbraw/zinc/35/04/17/771350417.db2.gz CWGBBIUWHNAWCM-IAGOWNOFSA-N 1 1 347.463 0.923 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001031594176 771366156 /nfs/dbraw/zinc/36/61/56/771366156.db2.gz ABSDFQXIBAQNOQ-QGZVFWFLSA-N 1 1 346.406 0.576 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001031594176 771366161 /nfs/dbraw/zinc/36/61/61/771366161.db2.gz ABSDFQXIBAQNOQ-QGZVFWFLSA-N 1 1 346.406 0.576 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC(C)(C)C1 ZINC001089506911 771374898 /nfs/dbraw/zinc/37/48/98/771374898.db2.gz MHPPFLAYEMTYQJ-OLZOCXBDSA-N 1 1 336.436 0.767 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC(C)(C)C1 ZINC001089513359 771379983 /nfs/dbraw/zinc/37/99/83/771379983.db2.gz CECNZDHOGFKNML-ZIAGYGMSSA-N 1 1 343.493 0.813 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)CCOCCNc2cncc(C#N)n2)CC[N@H+]1C ZINC001127505477 771383744 /nfs/dbraw/zinc/38/37/44/771383744.db2.gz PMIDYIUNTZCUSS-UKRRQHHQSA-N 1 1 346.435 0.575 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC(C)(C)C1 ZINC001089541999 771427572 /nfs/dbraw/zinc/42/75/72/771427572.db2.gz QFLQSKVKHQOKGF-AWEZNQCLSA-N 1 1 348.447 0.511 20 30 ECEDMO CN(CCOCCNc1nccnc1C#N)C(=O)C[N@@H+](C)C1CCC1 ZINC001127515404 771429689 /nfs/dbraw/zinc/42/96/89/771429689.db2.gz UENWAQNHEARSII-UHFFFAOYSA-N 1 1 346.435 0.719 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC(C)(C)C1 ZINC001089542240 771430819 /nfs/dbraw/zinc/43/08/19/771430819.db2.gz RZNDLGCZFCFDOU-CQSZACIVSA-N 1 1 348.447 0.511 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001056630416 771449155 /nfs/dbraw/zinc/44/91/55/771449155.db2.gz DEVZESWWSFEQJG-YYIAUSFCSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC(C)(C)C1 ZINC001089551040 771462876 /nfs/dbraw/zinc/46/28/76/771462876.db2.gz CKIZBTBCHLEULW-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031621684 771482162 /nfs/dbraw/zinc/48/21/62/771482162.db2.gz MMHQLKSTQHLJDZ-KRWDZBQOSA-N 1 1 328.416 0.437 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)CC(C)(C)C1 ZINC001089559934 771488198 /nfs/dbraw/zinc/48/81/98/771488198.db2.gz UNSHHTJLCOFGKS-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)CC(C)(C)C1 ZINC001089560446 771489859 /nfs/dbraw/zinc/48/98/59/771489859.db2.gz YNKNWUAWIOJVEM-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(OC)no3)C2)C1=O ZINC001031625375 771514045 /nfs/dbraw/zinc/51/40/45/771514045.db2.gz MSERINPDXLWRHD-LBPRGKRZSA-N 1 1 334.376 0.132 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)C2CCN(C(=O)C3CCC3)CC2)C1=O ZINC001089569200 771531124 /nfs/dbraw/zinc/53/11/24/771531124.db2.gz SMMWOEAODHSOBE-KRWDZBQOSA-N 1 1 349.475 0.859 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)C2CCN(C(=O)[C@@H](C)C#N)CC2)C1=O ZINC001089571947 771538816 /nfs/dbraw/zinc/53/88/16/771538816.db2.gz JVPMQUXMCZQPHS-HOCLYGCPSA-N 1 1 348.447 0.218 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246239 771546951 /nfs/dbraw/zinc/54/69/51/771546951.db2.gz OJHKHGFBUMKLKC-QZTJIDSGSA-N 1 1 328.412 0.908 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246239 771546955 /nfs/dbraw/zinc/54/69/55/771546955.db2.gz OJHKHGFBUMKLKC-QZTJIDSGSA-N 1 1 328.412 0.908 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2CC2)CCCO1 ZINC001019611578 771593236 /nfs/dbraw/zinc/59/32/36/771593236.db2.gz LNROVBHRRFYGMB-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2CC2)CCCO1 ZINC001019611578 771593240 /nfs/dbraw/zinc/59/32/40/771593240.db2.gz LNROVBHRRFYGMB-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)cc1C#N ZINC001042210628 782944495 /nfs/dbraw/zinc/94/44/95/782944495.db2.gz LLKWFUVVRKGGRM-HIFRSBDPSA-N 1 1 342.399 0.475 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001019708486 771724305 /nfs/dbraw/zinc/72/43/05/771724305.db2.gz JSONXFMBLOCFAG-CJNGLKHVSA-N 1 1 338.415 0.686 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 ZINC001056926979 771816585 /nfs/dbraw/zinc/81/65/85/771816585.db2.gz UPRRPKHRPHIMKC-CYBMUJFWSA-N 1 1 325.376 0.591 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3ccnc(C#N)n3)C2)C1 ZINC001056930834 771822263 /nfs/dbraw/zinc/82/22/63/771822263.db2.gz WEKZEOSUCIICSO-ZIAGYGMSSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3ccnc(C#N)n3)C2)C1 ZINC001056930834 771822268 /nfs/dbraw/zinc/82/22/68/771822268.db2.gz WEKZEOSUCIICSO-ZIAGYGMSSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3nccnc3C#N)C2)C1 ZINC001056930761 771822413 /nfs/dbraw/zinc/82/24/13/771822413.db2.gz UCWLYHMYGXMDAK-DZGCQCFKSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3nccnc3C#N)C2)C1 ZINC001056930761 771822416 /nfs/dbraw/zinc/82/24/16/771822416.db2.gz UCWLYHMYGXMDAK-DZGCQCFKSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056939794 771835810 /nfs/dbraw/zinc/83/58/10/771835810.db2.gz DKGWUDFWJNGUAM-OAHLLOKOSA-N 1 1 344.419 0.108 20 30 ECEDMO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056940642 771837856 /nfs/dbraw/zinc/83/78/56/771837856.db2.gz TUWAGRJJKVLJNR-HNNXBMFYSA-N 1 1 344.419 0.108 20 30 ECEDMO CN(c1nccnc1C#N)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001056942371 771840742 /nfs/dbraw/zinc/84/07/42/771840742.db2.gz WWDWPGLFNUSABC-KGLIPLIRSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2nccnc2F)C1 ZINC001057060447 772014553 /nfs/dbraw/zinc/01/45/53/772014553.db2.gz KWTPNTXBYARMPN-KBPBESRZSA-N 1 1 331.395 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2nccnc2F)C1 ZINC001057060447 772014555 /nfs/dbraw/zinc/01/45/55/772014555.db2.gz KWTPNTXBYARMPN-KBPBESRZSA-N 1 1 331.395 0.750 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3nccnc3C#N)C2)O1 ZINC001057062780 772019492 /nfs/dbraw/zinc/01/94/92/772019492.db2.gz SSSBUFQKLMMFBP-VNHYZAJKSA-N 1 1 344.419 0.104 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3nccnc3C#N)C2)O1 ZINC001057062780 772019499 /nfs/dbraw/zinc/01/94/99/772019499.db2.gz SSSBUFQKLMMFBP-VNHYZAJKSA-N 1 1 344.419 0.104 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C)nc1 ZINC001020126897 772191646 /nfs/dbraw/zinc/19/16/46/772191646.db2.gz LFIVYMNIXHOFQX-QRTARXTBSA-N 1 1 340.427 0.876 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057172934 772213771 /nfs/dbraw/zinc/21/37/71/772213771.db2.gz YTJBLOZZBZHJOY-HOTGVXAUSA-N 1 1 337.464 0.907 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C)C1 ZINC001020193913 772264527 /nfs/dbraw/zinc/26/45/27/772264527.db2.gz QNNHETBKLMAPMA-IPYPFGDCSA-N 1 1 343.431 0.947 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCCN(c2nc(C)cc(C#N)n2)CC1 ZINC001057202171 772264774 /nfs/dbraw/zinc/26/47/74/772264774.db2.gz CRWVBSQUVSIHDQ-UHFFFAOYSA-N 1 1 339.403 0.901 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057234683 772318849 /nfs/dbraw/zinc/31/88/49/772318849.db2.gz LNSBZRCBSCORNU-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C)s2)C1 ZINC001020250927 772352020 /nfs/dbraw/zinc/35/20/20/772352020.db2.gz WTENAQHSLIIXKK-IHRRRGAJSA-N 1 1 333.461 0.681 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCC(Nc3ccnc(C#N)n3)CC2)CC[N@H+]1C ZINC001057443780 772619589 /nfs/dbraw/zinc/61/95/89/772619589.db2.gz ITEXSMQGCQESAD-LSDHHAIUSA-N 1 1 342.447 0.903 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001057444969 772621544 /nfs/dbraw/zinc/62/15/44/772621544.db2.gz AVNFKIITLCMFNZ-INIZCTEOSA-N 1 1 337.464 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 ZINC001057449127 772628449 /nfs/dbraw/zinc/62/84/49/772628449.db2.gz ZQIWWBLIEOFCMD-INIZCTEOSA-N 1 1 338.415 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 ZINC001057449127 772628454 /nfs/dbraw/zinc/62/84/54/772628454.db2.gz ZQIWWBLIEOFCMD-INIZCTEOSA-N 1 1 338.415 0.849 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(CNc3cncc(C#N)n3)CC2)C1 ZINC001057483545 772671958 /nfs/dbraw/zinc/67/19/58/772671958.db2.gz BLEALXSGOVIPTC-HNNXBMFYSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(CNc3cncc(C#N)n3)CC2)C1 ZINC001057483545 772671961 /nfs/dbraw/zinc/67/19/61/772671961.db2.gz BLEALXSGOVIPTC-HNNXBMFYSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC(CNc3ccnc(C#N)n3)CC2)C1 ZINC001057506609 772695717 /nfs/dbraw/zinc/69/57/17/772695717.db2.gz YFLADLDMJOQHRU-OAHLLOKOSA-N 1 1 342.447 0.762 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057535977 772731243 /nfs/dbraw/zinc/73/12/43/772731243.db2.gz IPNROKVBHPMSPU-DLBZAZTESA-N 1 1 347.459 0.354 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001057619764 772824072 /nfs/dbraw/zinc/82/40/72/772824072.db2.gz PUPBDLZYJNRNRB-ZDUSSCGKSA-N 1 1 335.408 0.103 20 30 ECEDMO C#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001057636280 772843950 /nfs/dbraw/zinc/84/39/50/772843950.db2.gz PVSAFQFMPZQXOF-QGZVFWFLSA-N 1 1 343.427 0.170 20 30 ECEDMO C=CCC(CC=C)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001057681946 772908403 /nfs/dbraw/zinc/90/84/03/772908403.db2.gz ZUOMCSUEHIBCJR-INIZCTEOSA-N 1 1 337.464 0.644 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H](Nc2ccc(C#N)nn2)C1 ZINC001057719880 772943090 /nfs/dbraw/zinc/94/30/90/772943090.db2.gz YAQYSQHGLABNEG-AWEZNQCLSA-N 1 1 325.376 0.956 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057806795 773005795 /nfs/dbraw/zinc/00/57/95/773005795.db2.gz RMWDPERTVJUMPY-HUUCEWRRSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001057821885 773031934 /nfs/dbraw/zinc/03/19/34/773031934.db2.gz XDBAYCCYDXZARO-MRXNPFEDSA-N 1 1 349.475 0.459 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001076832254 783066422 /nfs/dbraw/zinc/06/64/22/783066422.db2.gz BCSHXTRRSYPMLL-LSDHHAIUSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001076832254 783066427 /nfs/dbraw/zinc/06/64/27/783066427.db2.gz BCSHXTRRSYPMLL-LSDHHAIUSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001076832808 783066514 /nfs/dbraw/zinc/06/65/14/783066514.db2.gz ZETYFTBDICGSSY-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001076833352 783068557 /nfs/dbraw/zinc/06/85/57/783068557.db2.gz ADFUGHAFXQNDNG-ARFHVFGLSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001076833352 783068562 /nfs/dbraw/zinc/06/85/62/783068562.db2.gz ADFUGHAFXQNDNG-ARFHVFGLSA-N 1 1 349.475 0.910 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001057903672 773164727 /nfs/dbraw/zinc/16/47/27/773164727.db2.gz SUBQTCZKKHOUEH-CABCVRRESA-N 1 1 339.480 0.866 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057929196 773204513 /nfs/dbraw/zinc/20/45/13/773204513.db2.gz OSUXCDRSGMTLTG-HNNXBMFYSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C1CCC1 ZINC001057962506 773295284 /nfs/dbraw/zinc/29/52/84/773295284.db2.gz YQJZJEKTWFRDDH-RDJZCZTQSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C1CCC1 ZINC001057962506 773295289 /nfs/dbraw/zinc/29/52/89/773295289.db2.gz YQJZJEKTWFRDDH-RDJZCZTQSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058040064 773407495 /nfs/dbraw/zinc/40/74/95/773407495.db2.gz DSRYHZROVIZGDS-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058056426 773446768 /nfs/dbraw/zinc/44/67/68/773446768.db2.gz VWLIENFEQIONPS-ZDUSSCGKSA-N 1 1 328.420 0.727 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058113005 773559240 /nfs/dbraw/zinc/55/92/40/773559240.db2.gz RRAKOWNMEMGDDY-UHFFFAOYSA-N 1 1 336.436 0.731 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058167592 773683671 /nfs/dbraw/zinc/68/36/71/773683671.db2.gz GXNPNZTYMKBPRS-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058167592 773683676 /nfs/dbraw/zinc/68/36/76/773683676.db2.gz GXNPNZTYMKBPRS-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058256554 773857180 /nfs/dbraw/zinc/85/71/80/773857180.db2.gz ACCQZZYGJARBAU-UHFFFAOYSA-N 1 1 325.453 0.459 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001058258347 773860483 /nfs/dbraw/zinc/86/04/83/773860483.db2.gz SVYDLXNQGBCDDD-VNHYZAJKSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC001058317320 773962531 /nfs/dbraw/zinc/96/25/31/773962531.db2.gz UDQMXCDXUWAWCZ-GXTWGEPZSA-N 1 1 349.822 0.632 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC001058317320 773962535 /nfs/dbraw/zinc/96/25/35/773962535.db2.gz UDQMXCDXUWAWCZ-GXTWGEPZSA-N 1 1 349.822 0.632 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N ZINC001058368160 774042569 /nfs/dbraw/zinc/04/25/69/774042569.db2.gz MZDHQEQFWYFVOO-OAHLLOKOSA-N 1 1 340.468 0.595 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040637428 783150877 /nfs/dbraw/zinc/15/08/77/783150877.db2.gz YFIUVKHKQUZYGI-KDOFPFPSSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039819209 783148483 /nfs/dbraw/zinc/14/84/83/783148483.db2.gz NEBBDRGMHMFAOO-KSSFIOAISA-N 1 1 337.464 0.620 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058446855 774199751 /nfs/dbraw/zinc/19/97/51/774199751.db2.gz KREHNSUOBYGKPI-UONOGXRCSA-N 1 1 328.420 0.916 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001058465881 774238690 /nfs/dbraw/zinc/23/86/90/774238690.db2.gz AXJDRMNFZBHTOZ-CQSZACIVSA-N 1 1 336.436 0.731 20 30 ECEDMO N#Cc1cncc(N2CC[C@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001058470074 774246161 /nfs/dbraw/zinc/24/61/61/774246161.db2.gz YSXSYTFSKZYKSU-JSGCOSHPSA-N 1 1 337.387 0.817 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1CC(F)(F)F ZINC001044962526 774772356 /nfs/dbraw/zinc/77/23/56/774772356.db2.gz MXPFBGVQZSWKAP-UWVGGRQHSA-N 1 1 345.329 0.476 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001044962882 774772487 /nfs/dbraw/zinc/77/24/87/774772487.db2.gz QWHPEYFFOZFLQF-MNOVXSKESA-N 1 1 326.351 0.783 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001044979672 774793753 /nfs/dbraw/zinc/79/37/53/774793753.db2.gz HKEIIJTXKGNDGH-LSDHHAIUSA-N 1 1 339.480 0.866 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001044986354 774801527 /nfs/dbraw/zinc/80/15/27/774801527.db2.gz UZHUAMPKRIOPQO-GXTWGEPZSA-N 1 1 334.420 0.339 20 30 ECEDMO CCCn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001045004330 774825350 /nfs/dbraw/zinc/82/53/50/774825350.db2.gz DTMFANIBBIXWLS-AWEZNQCLSA-N 1 1 342.407 0.677 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001045006786 774828660 /nfs/dbraw/zinc/82/86/60/774828660.db2.gz HNYGBMOUCPEIDO-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001045069673 774930099 /nfs/dbraw/zinc/93/00/99/774930099.db2.gz ZDJJFMONRGJKHG-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001045102348 774981143 /nfs/dbraw/zinc/98/11/43/774981143.db2.gz ILTYIPYKFRJDRC-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)C1 ZINC001040673735 783229566 /nfs/dbraw/zinc/22/95/66/783229566.db2.gz JVGCGWBFVGFWPS-IJEWVQPXSA-N 1 1 340.431 0.727 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001045152500 775063969 /nfs/dbraw/zinc/06/39/69/775063969.db2.gz ITKLLRBSOWLWNO-KBPBESRZSA-N 1 1 337.464 0.618 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1=O ZINC001043870369 775160454 /nfs/dbraw/zinc/16/04/54/775160454.db2.gz SCAAOYNOODKAGR-GDBMZVCRSA-N 1 1 334.464 0.400 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@@H](n2ccnn2)C1 ZINC001070016379 790335705 /nfs/dbraw/zinc/33/57/05/790335705.db2.gz HZSHMSHYSQMEQN-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044007704 775499406 /nfs/dbraw/zinc/49/94/06/775499406.db2.gz ULICCBQOQBWHQG-GJZGRUSLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044007918 775500050 /nfs/dbraw/zinc/50/00/50/775500050.db2.gz ZLCXRJJITYFHEZ-GJZGRUSLSA-N 1 1 337.464 0.620 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001045560304 775802552 /nfs/dbraw/zinc/80/25/52/775802552.db2.gz UMSAQXVRZKSULL-HIFRSBDPSA-N 1 1 344.415 0.138 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001044475147 776335934 /nfs/dbraw/zinc/33/59/34/776335934.db2.gz LVVSLBAKAYXJDV-CQSZACIVSA-N 1 1 337.464 0.761 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001044484549 776347826 /nfs/dbraw/zinc/34/78/26/776347826.db2.gz NYWVHFNVNJKUDS-HOTGVXAUSA-N 1 1 349.475 0.457 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001070048185 790446486 /nfs/dbraw/zinc/44/64/86/790446486.db2.gz CTJMKORNGUBOHV-KGLIPLIRSA-N 1 1 329.408 0.931 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3=CCOCC3)C2)C1=O ZINC001079612212 776524454 /nfs/dbraw/zinc/52/44/54/776524454.db2.gz DMEDCOQPDHHXFX-BMFZPTHFSA-N 1 1 333.432 0.557 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070052618 790459969 /nfs/dbraw/zinc/45/99/69/790459969.db2.gz BOGLKRBFJFQZQW-CVEARBPZSA-N 1 1 339.403 0.364 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070052618 790459973 /nfs/dbraw/zinc/45/99/73/790459973.db2.gz BOGLKRBFJFQZQW-CVEARBPZSA-N 1 1 339.403 0.364 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O ZINC001044703232 776664065 /nfs/dbraw/zinc/66/40/65/776664065.db2.gz HCLOHKZHWXAUHF-PVAVHDDUSA-N 1 1 343.431 0.493 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001079770873 776834813 /nfs/dbraw/zinc/83/48/13/776834813.db2.gz OATIUTJUKGCQPF-UHFFFAOYSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001079773531 776841356 /nfs/dbraw/zinc/84/13/56/776841356.db2.gz ORMFSDUIHCBPSB-UHFFFAOYSA-N 1 1 332.404 0.291 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001079774393 776844848 /nfs/dbraw/zinc/84/48/48/776844848.db2.gz BVIGKNYFJQHMHU-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001079775189 776847467 /nfs/dbraw/zinc/84/74/67/776847467.db2.gz UXKRQPPBFRIXNV-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079775373 776848702 /nfs/dbraw/zinc/84/87/02/776848702.db2.gz XMVWHDFFKWTFBD-GDBMZVCRSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001079777418 776854826 /nfs/dbraw/zinc/85/48/26/776854826.db2.gz ZEEFESCNXJPTHY-BHYGNILZSA-N 1 1 349.475 0.814 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001079778137 776856820 /nfs/dbraw/zinc/85/68/20/776856820.db2.gz QHGMBBKUOGWYRR-CQSZACIVSA-N 1 1 335.448 0.568 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001079803119 776900629 /nfs/dbraw/zinc/90/06/29/776900629.db2.gz IIJIJDUCRAXMPP-CZUORRHYSA-N 1 1 329.400 0.624 20 30 ECEDMO CCN(C(=O)Cn1cc[nH+]c1C)C1CN(C(=O)CSCC#N)C1 ZINC001079804656 776904653 /nfs/dbraw/zinc/90/46/53/776904653.db2.gz LJAJCTQQBOGDCL-UHFFFAOYSA-N 1 1 335.433 0.508 20 30 ECEDMO CCN(C(=O)[C@H](C)C[NH+]1CCOCC1)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001079804849 776906299 /nfs/dbraw/zinc/90/62/99/776906299.db2.gz PNJUOMIZKMMPQH-ZIAGYGMSSA-N 1 1 336.436 0.174 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001079842881 776964243 /nfs/dbraw/zinc/96/42/43/776964243.db2.gz WHCQDHDXKNSNNL-WQVCFCJDSA-N 1 1 346.431 0.749 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001079842881 776964251 /nfs/dbraw/zinc/96/42/51/776964251.db2.gz WHCQDHDXKNSNNL-WQVCFCJDSA-N 1 1 346.431 0.749 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2coc(COC)n2)[C@@H](n2ccnn2)C1 ZINC001070067947 790497915 /nfs/dbraw/zinc/49/79/15/790497915.db2.gz YBDZDTXZYRXEFW-OCCSQVGLSA-N 1 1 346.391 0.644 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2coc(COC)n2)[C@@H](n2ccnn2)C1 ZINC001070067947 790497924 /nfs/dbraw/zinc/49/79/24/790497924.db2.gz YBDZDTXZYRXEFW-OCCSQVGLSA-N 1 1 346.391 0.644 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079983394 777191737 /nfs/dbraw/zinc/19/17/37/777191737.db2.gz XBMIFOGYMASISP-CQSZACIVSA-N 1 1 325.453 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COCCCC)C1 ZINC001080009026 777221282 /nfs/dbraw/zinc/22/12/82/777221282.db2.gz MXSQBIMJTYUJKF-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COCCCC)C1 ZINC001080009026 777221293 /nfs/dbraw/zinc/22/12/93/777221293.db2.gz MXSQBIMJTYUJKF-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@@](C)(O)C=C)C1 ZINC001080009309 777222445 /nfs/dbraw/zinc/22/24/45/777222445.db2.gz YAYVUHHXOMTBCJ-LPHOPBHVSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@@](C)(O)C=C)C1 ZINC001080009309 777222451 /nfs/dbraw/zinc/22/24/51/777222451.db2.gz YAYVUHHXOMTBCJ-LPHOPBHVSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn(CC)cn2)[C@@H](n2ccnn2)C1 ZINC001070080429 790533496 /nfs/dbraw/zinc/53/34/96/790533496.db2.gz DQJMIZRNVOKBGR-HIFRSBDPSA-N 1 1 327.392 0.173 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC)cn2)[C@@H](n2ccnn2)C1 ZINC001070080429 790533507 /nfs/dbraw/zinc/53/35/07/790533507.db2.gz DQJMIZRNVOKBGR-HIFRSBDPSA-N 1 1 327.392 0.173 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080141335 777453548 /nfs/dbraw/zinc/45/35/48/777453548.db2.gz FFWUVENTZCCXKY-GJZGRUSLSA-N 1 1 335.448 0.426 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001080189850 777522322 /nfs/dbraw/zinc/52/23/22/777522322.db2.gz OZNJEFHTKAKCHW-IUODEOHRSA-N 1 1 325.376 0.131 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080265212 777628946 /nfs/dbraw/zinc/62/89/46/777628946.db2.gz WKPOYDVFPBUFHU-DJIMGWMZSA-N 1 1 340.427 0.498 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080265212 777628948 /nfs/dbraw/zinc/62/89/48/777628948.db2.gz WKPOYDVFPBUFHU-DJIMGWMZSA-N 1 1 340.427 0.498 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001080308323 777665793 /nfs/dbraw/zinc/66/57/93/777665793.db2.gz GCJVMBPWGQGPPV-GOEBONIOSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001080308323 777665799 /nfs/dbraw/zinc/66/57/99/777665799.db2.gz GCJVMBPWGQGPPV-GOEBONIOSA-N 1 1 337.464 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080346746 777722534 /nfs/dbraw/zinc/72/25/34/777722534.db2.gz OYXNKZSTWJBCRK-MLGOLLRUSA-N 1 1 337.383 0.892 20 30 ECEDMO Cc1nc(N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)ccc1C#N ZINC001043103758 777732712 /nfs/dbraw/zinc/73/27/12/777732712.db2.gz AATUUYPZAVOEJZ-DAXOMENPSA-N 1 1 343.431 0.851 20 30 ECEDMO Cc1nc(N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)ccc1C#N ZINC001043103758 777732720 /nfs/dbraw/zinc/73/27/20/777732720.db2.gz AATUUYPZAVOEJZ-DAXOMENPSA-N 1 1 343.431 0.851 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001043115621 777755870 /nfs/dbraw/zinc/75/58/70/777755870.db2.gz JDLNIFXNQGWLLF-CQSZACIVSA-N 1 1 335.448 0.374 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3conc3C)C2)C1=O ZINC001080376025 777764714 /nfs/dbraw/zinc/76/47/14/777764714.db2.gz OHYBAEZIMPKIME-KCPJHIHWSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3conc3C)C2)C1=O ZINC001080376025 777764719 /nfs/dbraw/zinc/76/47/19/777764719.db2.gz OHYBAEZIMPKIME-KCPJHIHWSA-N 1 1 332.404 0.820 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](OC)C(C)C)C1 ZINC001080453031 777880853 /nfs/dbraw/zinc/88/08/53/777880853.db2.gz GRVSBUKSEJBBBV-IRXDYDNUSA-N 1 1 349.475 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](OC)C(C)C)C1 ZINC001080453031 777880865 /nfs/dbraw/zinc/88/08/65/777880865.db2.gz GRVSBUKSEJBBBV-IRXDYDNUSA-N 1 1 349.475 0.814 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001080517181 777957333 /nfs/dbraw/zinc/95/73/33/777957333.db2.gz QJDZYKTZKKJJJS-BPLDGKMQSA-N 1 1 331.420 0.176 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001043206207 777957879 /nfs/dbraw/zinc/95/78/79/777957879.db2.gz ZEQQSGIRDGJXIY-CQSZACIVSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070093738 790580139 /nfs/dbraw/zinc/58/01/39/790580139.db2.gz DEFSAPYPGNTSLE-CVEARBPZSA-N 1 1 343.435 0.778 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070093738 790580140 /nfs/dbraw/zinc/58/01/40/790580140.db2.gz DEFSAPYPGNTSLE-CVEARBPZSA-N 1 1 343.435 0.778 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001080556680 778019884 /nfs/dbraw/zinc/01/98/84/778019884.db2.gz QSOQKGRQJNBCRI-KBXCAEBGSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001080557761 778024482 /nfs/dbraw/zinc/02/44/82/778024482.db2.gz DFJZILFGHJRCHM-HUUCEWRRSA-N 1 1 335.448 0.568 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001043320802 778153576 /nfs/dbraw/zinc/15/35/76/778153576.db2.gz ZPABDHYJRWXWDS-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C2)CCC1 ZINC001043349634 778205359 /nfs/dbraw/zinc/20/53/59/778205359.db2.gz JXOLOQPCHLEHQT-UHFFFAOYSA-N 1 1 349.475 0.600 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C#CC1CC1)O2 ZINC001068572000 790604533 /nfs/dbraw/zinc/60/45/33/790604533.db2.gz ZXQQJVQDAMKTEV-HOTGVXAUSA-N 1 1 345.443 0.370 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001043417269 778295666 /nfs/dbraw/zinc/29/56/66/778295666.db2.gz XJWZGVBJHXBMIZ-OKILXGFUSA-N 1 1 337.464 0.761 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043429766 778313073 /nfs/dbraw/zinc/31/30/73/778313073.db2.gz FOIDQQKMQGUIQA-KGLIPLIRSA-N 1 1 325.453 0.474 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001043433759 778325829 /nfs/dbraw/zinc/32/58/29/778325829.db2.gz XDSLGBGRYDLKNV-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001043461275 778370427 /nfs/dbraw/zinc/37/04/27/778370427.db2.gz AKYWFDSDZNIZMW-AWEZNQCLSA-N 1 1 344.415 0.109 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 ZINC001068575963 790616556 /nfs/dbraw/zinc/61/65/56/790616556.db2.gz YIIXJXVFFCXEKG-TZMCWYRMSA-N 1 1 345.403 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ncc(F)cn2)C1 ZINC001043587114 778549892 /nfs/dbraw/zinc/54/98/92/778549892.db2.gz MDOBNYBFOHYCEX-YUELXQCFSA-N 1 1 331.395 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ncc(F)cn2)C1 ZINC001043587114 778549895 /nfs/dbraw/zinc/54/98/95/778549895.db2.gz MDOBNYBFOHYCEX-YUELXQCFSA-N 1 1 331.395 0.972 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](n2ccnn2)C1 ZINC001070109119 790633379 /nfs/dbraw/zinc/63/33/79/790633379.db2.gz GIUNTBWVTQTWBY-CABCVRRESA-N 1 1 329.408 0.483 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 ZINC001068588341 790642724 /nfs/dbraw/zinc/64/27/24/790642724.db2.gz FNHUSARNYFVHKW-RGCMKSIDSA-N 1 1 328.420 0.853 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3C#N)C2)O1 ZINC001068614594 790713229 /nfs/dbraw/zinc/71/32/29/790713229.db2.gz ANFVLRRVMQQMCL-RRCSTGOVSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3C#N)C2)O1 ZINC001068614594 790713239 /nfs/dbraw/zinc/71/32/39/790713239.db2.gz ANFVLRRVMQQMCL-RRCSTGOVSA-N 1 1 343.431 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]21 ZINC001042311133 780049742 /nfs/dbraw/zinc/04/97/42/780049742.db2.gz GEQMUPJUFQGZPL-WDEREUQCSA-N 1 1 332.360 0.066 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]21 ZINC001042314043 780055531 /nfs/dbraw/zinc/05/55/31/780055531.db2.gz WZGNAYTWXZTQKT-ZFWWWQNUSA-N 1 1 339.399 0.995 20 30 ECEDMO C=CCOCCCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001042313773 780056242 /nfs/dbraw/zinc/05/62/42/780056242.db2.gz XHCVPPMGIUPVRX-UHFFFAOYSA-N 1 1 341.452 0.001 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)NC)nc3)C[C@@H]21 ZINC001042317453 780062300 /nfs/dbraw/zinc/06/23/00/780062300.db2.gz YIPMUVATKCRUFG-CJNGLKHVSA-N 1 1 326.400 0.611 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 ZINC001042344904 780108546 /nfs/dbraw/zinc/10/85/46/780108546.db2.gz DFHIONPTLANSOK-CABCVRRESA-N 1 1 348.447 0.769 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@H]21 ZINC001042363825 780149289 /nfs/dbraw/zinc/14/92/89/780149289.db2.gz YOCRXCNBNNVPNW-CZUORRHYSA-N 1 1 326.400 0.740 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)C[C@@H]21 ZINC001042367066 780153787 /nfs/dbraw/zinc/15/37/87/780153787.db2.gz ABWPXEPDHUVNIY-ZFWWWQNUSA-N 1 1 346.435 0.089 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2ccc(C#N)s2)C1 ZINC001042573182 780465520 /nfs/dbraw/zinc/46/55/20/780465520.db2.gz FTFGQCRVETUZAW-OAHLLOKOSA-N 1 1 334.445 0.593 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2ccc(C#N)s2)C1 ZINC001042573182 780465523 /nfs/dbraw/zinc/46/55/23/780465523.db2.gz FTFGQCRVETUZAW-OAHLLOKOSA-N 1 1 334.445 0.593 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)COCC)CC1 ZINC001078802007 780510830 /nfs/dbraw/zinc/51/08/30/780510830.db2.gz VCDGOYTVDIYIQM-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)COCC)CC1 ZINC001078802007 780510837 /nfs/dbraw/zinc/51/08/37/780510837.db2.gz VCDGOYTVDIYIQM-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001042775933 780795032 /nfs/dbraw/zinc/79/50/32/780795032.db2.gz DVLHUTTZXSYQOS-RBSFLKMASA-N 1 1 329.404 0.367 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001042776597 780796489 /nfs/dbraw/zinc/79/64/89/780796489.db2.gz OCOZIFFPFKGWCE-BZUAXINKSA-N 1 1 343.431 0.676 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001042798594 780839007 /nfs/dbraw/zinc/83/90/07/780839007.db2.gz ADGHRMBRZYYUBD-CVEARBPZSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001042804607 780852527 /nfs/dbraw/zinc/85/25/27/780852527.db2.gz DJXNBTBBJDZBRE-LSDHHAIUSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCN3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227429 780898588 /nfs/dbraw/zinc/89/85/88/780898588.db2.gz TUCOSDUSRIZJBE-GVDBMIGSSA-N 1 1 331.460 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCSC)C1 ZINC001079275835 780952294 /nfs/dbraw/zinc/95/22/94/780952294.db2.gz OSDCORXQRZDWBT-HNNXBMFYSA-N 1 1 337.489 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCSC)C1 ZINC001079275835 780952298 /nfs/dbraw/zinc/95/22/98/780952298.db2.gz OSDCORXQRZDWBT-HNNXBMFYSA-N 1 1 337.489 0.896 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001079344934 781010090 /nfs/dbraw/zinc/01/00/90/781010090.db2.gz SEWMUNSYZRKUCN-CYBMUJFWSA-N 1 1 338.477 0.644 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001079345123 781010642 /nfs/dbraw/zinc/01/06/42/781010642.db2.gz ZBZHURYISDBSII-ZDUSSCGKSA-N 1 1 338.477 0.787 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001042941925 781075111 /nfs/dbraw/zinc/07/51/11/781075111.db2.gz UYWADMNEHZQECC-UHFFFAOYSA-N 1 1 337.464 0.313 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001042942966 781076850 /nfs/dbraw/zinc/07/68/50/781076850.db2.gz IDMJZSBGTKIEIR-JKSUJKDBSA-N 1 1 347.459 0.352 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(C)c3)C2)C1=O ZINC001079403624 781081264 /nfs/dbraw/zinc/08/12/64/781081264.db2.gz NNBUMVNMNIECGW-YUELXQCFSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(C)c3)C2)C1=O ZINC001079403624 781081267 /nfs/dbraw/zinc/08/12/67/781081267.db2.gz NNBUMVNMNIECGW-YUELXQCFSA-N 1 1 331.420 0.257 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCCc2nc(C)no2)C1 ZINC001042960516 781102495 /nfs/dbraw/zinc/10/24/95/781102495.db2.gz PDUSPOQGGGXSAL-INIZCTEOSA-N 1 1 345.447 0.551 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCCc2nc(C)no2)C1 ZINC001042960516 781102501 /nfs/dbraw/zinc/10/25/01/781102501.db2.gz PDUSPOQGGGXSAL-INIZCTEOSA-N 1 1 345.447 0.551 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 ZINC001042962971 781105706 /nfs/dbraw/zinc/10/57/06/781105706.db2.gz CONQGDCJQHKNCP-MRXNPFEDSA-N 1 1 347.459 0.352 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 ZINC001042963235 781106349 /nfs/dbraw/zinc/10/63/49/781106349.db2.gz KFDPGPWUVKNXTK-UHFFFAOYSA-N 1 1 344.415 0.109 20 30 ECEDMO C=CCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001079469617 781155430 /nfs/dbraw/zinc/15/54/30/781155430.db2.gz OXHJRCVBMCEEHR-RCDNUKIMSA-N 1 1 347.459 0.875 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cn(C)cn3)C2)C1=O ZINC001079569904 781271266 /nfs/dbraw/zinc/27/12/66/781271266.db2.gz DYPHRHPXFRGPBA-NFAWXSAZSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cn(C)cn3)C2)C1=O ZINC001079569904 781271268 /nfs/dbraw/zinc/27/12/68/781271268.db2.gz DYPHRHPXFRGPBA-NFAWXSAZSA-N 1 1 331.420 0.257 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079598524 781303981 /nfs/dbraw/zinc/30/39/81/781303981.db2.gz GOWCDQUKQLLWNT-ZTFGCOKTSA-N 1 1 342.443 0.825 20 30 ECEDMO CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001079601171 781307481 /nfs/dbraw/zinc/30/74/81/781307481.db2.gz MCZWKZQJAJCILZ-DAXOMENPSA-N 1 1 343.431 0.946 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001079601171 781307491 /nfs/dbraw/zinc/30/74/91/781307491.db2.gz MCZWKZQJAJCILZ-DAXOMENPSA-N 1 1 343.431 0.946 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)CC1 ZINC001077624950 781373471 /nfs/dbraw/zinc/37/34/71/781373471.db2.gz JZRGGFGOUANCPS-HZPDHXFCSA-N 1 1 335.448 0.517 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)CC1 ZINC001077624950 781373478 /nfs/dbraw/zinc/37/34/78/781373478.db2.gz JZRGGFGOUANCPS-HZPDHXFCSA-N 1 1 335.448 0.517 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001077650218 781424986 /nfs/dbraw/zinc/42/49/86/781424986.db2.gz ZKKHQOIEFJXDAE-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C#N)cn1 ZINC001041396990 781431126 /nfs/dbraw/zinc/43/11/26/781431126.db2.gz OMKZJKSTWQLQTO-DNNBLBMLSA-N 1 1 343.431 0.268 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077679290 781494402 /nfs/dbraw/zinc/49/44/02/781494402.db2.gz MXGGOWKZBDGYOW-QXAKKESOSA-N 1 1 341.455 0.541 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001077699124 781539970 /nfs/dbraw/zinc/53/99/70/781539970.db2.gz RLIJCRQACICHGO-VQHPVUNQSA-N 1 1 338.448 0.556 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(=O)n(CCOC)n3)C2)C1 ZINC001041453862 781548784 /nfs/dbraw/zinc/54/87/84/781548784.db2.gz HTCBBOQOKFKWPR-GOSISDBHSA-N 1 1 344.415 0.061 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](CCC)OC ZINC001077718595 781581151 /nfs/dbraw/zinc/58/11/51/781581151.db2.gz VZSFCHQUUYEFLC-HRCADAONSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](CCC)OC ZINC001077718595 781581159 /nfs/dbraw/zinc/58/11/59/781581159.db2.gz VZSFCHQUUYEFLC-HRCADAONSA-N 1 1 337.464 0.910 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC001041476207 781589979 /nfs/dbraw/zinc/58/99/79/781589979.db2.gz QAPQWEKRYNNXHN-SFHVURJKSA-N 1 1 329.400 0.945 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](CNc2cncc(C#N)n2)C1 ZINC001041478546 781595234 /nfs/dbraw/zinc/59/52/34/781595234.db2.gz BPNWLHONZDESDV-LSDHHAIUSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNc3cncc(C#N)n3)C2)C1 ZINC001041504285 781649783 /nfs/dbraw/zinc/64/97/83/781649783.db2.gz CWYBLGYBUITQDV-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](CC)OC)C[C@H]2O)cc1 ZINC001077797919 781712992 /nfs/dbraw/zinc/71/29/92/781712992.db2.gz PHAHCUUAJJIVBW-CGTJXYLNSA-N 1 1 346.427 0.899 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001041544327 781740332 /nfs/dbraw/zinc/74/03/32/781740332.db2.gz NAAPCAPRVOIAFE-IBGZPJMESA-N 1 1 349.475 0.982 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077821841 781757733 /nfs/dbraw/zinc/75/77/33/781757733.db2.gz JMFVXWMVOKGBBV-HZMVEIRTSA-N 1 1 348.447 0.105 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001077829570 781771632 /nfs/dbraw/zinc/77/16/32/781771632.db2.gz FSTPUZPZYHWYRH-HUUCEWRRSA-N 1 1 342.403 0.403 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001077837996 781801185 /nfs/dbraw/zinc/80/11/85/781801185.db2.gz OBNKMIQZBLBTKM-ZIAGYGMSSA-N 1 1 345.403 0.072 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)CCCO1 ZINC001039908032 783258550 /nfs/dbraw/zinc/25/85/50/783258550.db2.gz OQEYDIMXFGWSOX-SJORKVTESA-N 1 1 343.431 0.759 20 30 ECEDMO N#CCN1CCC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001040712404 783313010 /nfs/dbraw/zinc/31/30/10/783313010.db2.gz IYINSGQCBSXFMY-CVEARBPZSA-N 1 1 332.448 0.688 20 30 ECEDMO N#CCN1CCC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001040712411 783314434 /nfs/dbraw/zinc/31/44/34/783314434.db2.gz IYINSGQCBSXFMY-JKSUJKDBSA-N 1 1 332.448 0.688 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001040764715 783388260 /nfs/dbraw/zinc/38/82/60/783388260.db2.gz YCMYAAQNRPFMBK-GUYCJALGSA-N 1 1 347.419 0.211 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040807673 783477030 /nfs/dbraw/zinc/47/70/30/783477030.db2.gz UZSPHEVKPYHEMW-LPHOPBHVSA-N 1 1 349.475 0.907 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 ZINC001070182413 783608168 /nfs/dbraw/zinc/60/81/68/783608168.db2.gz JKSTZQITJKCSHV-AWEZNQCLSA-N 1 1 338.452 0.660 20 30 ECEDMO C=CCOCC(=O)NCC1(NC(=O)C[N@H+](C)CCC)CCOCC1 ZINC001070182290 783608370 /nfs/dbraw/zinc/60/83/70/783608370.db2.gz DPFCLODNRKRZRD-UHFFFAOYSA-N 1 1 341.452 0.312 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@@H]1n1ccnn1 ZINC001070226232 783696192 /nfs/dbraw/zinc/69/61/92/783696192.db2.gz WMGOFSNWBZPIQY-CVEARBPZSA-N 1 1 337.387 0.767 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@@H]1n1ccnn1 ZINC001070256169 783753309 /nfs/dbraw/zinc/75/33/09/783753309.db2.gz PTJNUBZKXGDXQU-OLZOCXBDSA-N 1 1 349.826 0.728 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070286795 783792628 /nfs/dbraw/zinc/79/26/28/783792628.db2.gz ACSLVODYIAPLHN-KGLIPLIRSA-N 1 1 342.407 0.163 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@@H]1n1ccnn1 ZINC001070308515 783813817 /nfs/dbraw/zinc/81/38/17/783813817.db2.gz XIKHGZKYRXDMHL-MAZHCROVSA-N 1 1 341.419 0.334 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]C(C)C)[C@@H](n3ccnn3)C2)CC1 ZINC001070333734 783840995 /nfs/dbraw/zinc/84/09/95/783840995.db2.gz RVMSCGDVHKKVPS-SJORKVTESA-N 1 1 344.463 0.373 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)c(F)c2)C1 ZINC001038138232 783907014 /nfs/dbraw/zinc/90/70/14/783907014.db2.gz UPESNXBFUGSBDV-NVXWUHKLSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)c(F)c2)C1 ZINC001038138232 783907022 /nfs/dbraw/zinc/90/70/22/783907022.db2.gz UPESNXBFUGSBDV-NVXWUHKLSA-N 1 1 346.406 0.718 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2COCCO2)C1 ZINC001070385053 783927420 /nfs/dbraw/zinc/92/74/20/783927420.db2.gz YPMIKCSFYSOBGZ-RDJZCZTQSA-N 1 1 345.399 0.200 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2COCCO2)C1 ZINC001070385053 783927423 /nfs/dbraw/zinc/92/74/23/783927423.db2.gz YPMIKCSFYSOBGZ-RDJZCZTQSA-N 1 1 345.399 0.200 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H]2CCc3ncnn32)c[nH]1 ZINC001038176206 783952217 /nfs/dbraw/zinc/95/22/17/783952217.db2.gz YLZDSGWEQNRGRL-KBPBESRZSA-N 1 1 325.376 0.469 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H]2CCc3ncnn32)c[nH]1 ZINC001038176208 783952473 /nfs/dbraw/zinc/95/24/73/783952473.db2.gz YLZDSGWEQNRGRL-KGLIPLIRSA-N 1 1 325.376 0.469 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCN2C)C1 ZINC001070399282 783965943 /nfs/dbraw/zinc/96/59/43/783965943.db2.gz IFDXGPOKOBAYQZ-HOCLYGCPSA-N 1 1 329.448 0.933 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCN2C)C1 ZINC001070399282 783965950 /nfs/dbraw/zinc/96/59/50/783965950.db2.gz IFDXGPOKOBAYQZ-HOCLYGCPSA-N 1 1 329.448 0.933 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001070406133 783985596 /nfs/dbraw/zinc/98/55/96/783985596.db2.gz MLLFFUSWDNGPHN-CQSZACIVSA-N 1 1 343.431 0.317 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnnn2C)C1 ZINC001070408050 783993246 /nfs/dbraw/zinc/99/32/46/783993246.db2.gz LROJKJOCNSELID-LBPRGKRZSA-N 1 1 329.408 0.834 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001070414098 784010557 /nfs/dbraw/zinc/01/05/57/784010557.db2.gz FHYWYIVYYNLWPV-UONOGXRCSA-N 1 1 343.431 0.365 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001070414851 784015557 /nfs/dbraw/zinc/01/55/57/784015557.db2.gz VPQKEQIUHJNVQC-LBPRGKRZSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)nc2OC)C1 ZINC001070418319 784022880 /nfs/dbraw/zinc/02/28/80/784022880.db2.gz LYLCXFGUXARNPF-GFCCVEGCSA-N 1 1 342.403 0.504 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001070419565 784024795 /nfs/dbraw/zinc/02/47/95/784024795.db2.gz BZXXVCHOOAFRQK-YPMHNXCESA-N 1 1 332.408 0.025 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001070419554 784024921 /nfs/dbraw/zinc/02/49/21/784024921.db2.gz BXDUESWMXLIDGZ-DZGCQCFKSA-N 1 1 343.431 0.459 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001070419691 784026570 /nfs/dbraw/zinc/02/65/70/784026570.db2.gz GGMFCTWPMHWEHJ-TZMCWYRMSA-N 1 1 331.420 0.527 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001070422573 784033715 /nfs/dbraw/zinc/03/37/15/784033715.db2.gz CKWMMUMRXDEXTO-DGCLKSJQSA-N 1 1 332.408 0.073 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2coc(COC)n2)C1 ZINC001070430705 784050252 /nfs/dbraw/zinc/05/02/52/784050252.db2.gz AHRBCRZWNADSTE-GFCCVEGCSA-N 1 1 343.387 0.897 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001070430936 784051372 /nfs/dbraw/zinc/05/13/72/784051372.db2.gz HQHBBILOXSEVRH-NSHDSACASA-N 1 1 345.403 0.054 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001038255351 784068971 /nfs/dbraw/zinc/06/89/71/784068971.db2.gz NKJAJTFDRKOYHW-KGLIPLIRSA-N 1 1 331.420 0.919 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070443040 784089394 /nfs/dbraw/zinc/08/93/94/784089394.db2.gz VVHVNTIWNQHGMD-KGLIPLIRSA-N 1 1 331.420 0.563 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001070921556 784118821 /nfs/dbraw/zinc/11/88/21/784118821.db2.gz DCKCRRLKIGUOKI-SJORKVTESA-N 1 1 348.491 0.533 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)n2cccn2)CC1 ZINC001070940734 784171553 /nfs/dbraw/zinc/17/15/53/784171553.db2.gz SSYCKPUOZXCTPP-HNNXBMFYSA-N 1 1 333.436 0.671 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)n2cccn2)CC1 ZINC001070940734 784171556 /nfs/dbraw/zinc/17/15/56/784171556.db2.gz SSYCKPUOZXCTPP-HNNXBMFYSA-N 1 1 333.436 0.671 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H](NCC#N)C2)CC[N@H+]1C ZINC001070495035 784189078 /nfs/dbraw/zinc/18/90/78/784189078.db2.gz XQPFMQOKUUXPAM-HGTKMLMNSA-N 1 1 330.436 0.168 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2C)CC1 ZINC001070948664 784198164 /nfs/dbraw/zinc/19/81/64/784198164.db2.gz VSJHCOMTHDBRTK-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2C)CC1 ZINC001070948664 784198169 /nfs/dbraw/zinc/19/81/69/784198169.db2.gz VSJHCOMTHDBRTK-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2nnn(C)c2C)CC1 ZINC001070949560 784200636 /nfs/dbraw/zinc/20/06/36/784200636.db2.gz KTWLZGHCVKPHPJ-UHFFFAOYSA-N 1 1 348.451 0.354 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2nnn(C)c2C)CC1 ZINC001070949560 784200642 /nfs/dbraw/zinc/20/06/42/784200642.db2.gz KTWLZGHCVKPHPJ-UHFFFAOYSA-N 1 1 348.451 0.354 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC(=O)NCC[N@H+](CCC3CC3)CC2)c[nH]1 ZINC001070955650 784218445 /nfs/dbraw/zinc/21/84/45/784218445.db2.gz WVQFTFJECBAMKQ-UHFFFAOYSA-N 1 1 343.431 0.951 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)ncn2)CC1 ZINC001070956665 784222411 /nfs/dbraw/zinc/22/24/11/784222411.db2.gz XHDHIEQOVRTMER-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)ncn2)CC1 ZINC001070956665 784222418 /nfs/dbraw/zinc/22/24/18/784222418.db2.gz XHDHIEQOVRTMER-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccnn2C)CC1 ZINC001070967975 784258164 /nfs/dbraw/zinc/25/81/64/784258164.db2.gz HLPPKXNBKFIBMA-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccnn2C)CC1 ZINC001070967975 784258169 /nfs/dbraw/zinc/25/81/69/784258169.db2.gz HLPPKXNBKFIBMA-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC001070968272 784261277 /nfs/dbraw/zinc/26/12/77/784261277.db2.gz WZAHHSVFTQHIMD-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC001070968272 784261280 /nfs/dbraw/zinc/26/12/80/784261280.db2.gz WZAHHSVFTQHIMD-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001070971872 784276662 /nfs/dbraw/zinc/27/66/62/784276662.db2.gz WCNOZSXLJJAUAX-HUUCEWRRSA-N 1 1 345.447 0.740 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC001070980050 784305938 /nfs/dbraw/zinc/30/59/38/784305938.db2.gz MUJFAVBYKKZXGZ-INIZCTEOSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC001070980050 784305951 /nfs/dbraw/zinc/30/59/51/784305951.db2.gz MUJFAVBYKKZXGZ-INIZCTEOSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070585730 784364372 /nfs/dbraw/zinc/36/43/72/784364372.db2.gz LJTYECSJRBCSAJ-CABCVRRESA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070585730 784364381 /nfs/dbraw/zinc/36/43/81/784364381.db2.gz LJTYECSJRBCSAJ-CABCVRRESA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001071007967 784394966 /nfs/dbraw/zinc/39/49/66/784394966.db2.gz ANLLANCWDCVWBJ-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001071007966 784395111 /nfs/dbraw/zinc/39/51/11/784395111.db2.gz ANLLANCWDCVWBJ-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC001071011471 784405442 /nfs/dbraw/zinc/40/54/42/784405442.db2.gz GSFIHMLKOXOXJL-GOSISDBHSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC001071011471 784405446 /nfs/dbraw/zinc/40/54/46/784405446.db2.gz GSFIHMLKOXOXJL-GOSISDBHSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2(CC)CCOCC2)CC1 ZINC001071011673 784406841 /nfs/dbraw/zinc/40/68/41/784406841.db2.gz ONIZVSLQBKUEAT-UHFFFAOYSA-N 1 1 349.475 0.867 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C2(CC)CCOCC2)CC1 ZINC001071011673 784406846 /nfs/dbraw/zinc/40/68/46/784406846.db2.gz ONIZVSLQBKUEAT-UHFFFAOYSA-N 1 1 349.475 0.867 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001071015249 784420535 /nfs/dbraw/zinc/42/05/35/784420535.db2.gz WEAJNBMFZWSPRK-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071015486 784421530 /nfs/dbraw/zinc/42/15/30/784421530.db2.gz GXMDIWRNENLFDF-MRXNPFEDSA-N 1 1 336.480 0.555 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001071015486 784421540 /nfs/dbraw/zinc/42/15/40/784421540.db2.gz GXMDIWRNENLFDF-MRXNPFEDSA-N 1 1 336.480 0.555 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001070604260 784422398 /nfs/dbraw/zinc/42/23/98/784422398.db2.gz FONCILMGFYATFR-LVNYTYFRSA-N 1 1 344.415 0.437 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnns2)C1 ZINC001070630552 784462654 /nfs/dbraw/zinc/46/26/54/784462654.db2.gz VYVIHCNSSSPUHN-RAIGVLPGSA-N 1 1 345.432 0.515 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@](C)(O)C=C)C1 ZINC001070663959 784520858 /nfs/dbraw/zinc/52/08/58/784520858.db2.gz UORYUXIRQJITFD-JTDSTZFVSA-N 1 1 347.459 0.518 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@](C)(O)C=C)C1 ZINC001070663959 784520861 /nfs/dbraw/zinc/52/08/61/784520861.db2.gz UORYUXIRQJITFD-JTDSTZFVSA-N 1 1 347.459 0.518 20 30 ECEDMO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071156609 784621020 /nfs/dbraw/zinc/62/10/20/784621020.db2.gz JYTKEBYIVHHYHH-GUYCJALGSA-N 1 1 332.404 0.574 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@@H](C)O2 ZINC001071159774 784627307 /nfs/dbraw/zinc/62/73/07/784627307.db2.gz RDAKSKPIERFASW-DYVFJYSZSA-N 1 1 331.420 0.331 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@@H](C)O2 ZINC001071159710 784627949 /nfs/dbraw/zinc/62/79/49/784627949.db2.gz PXGURVFSJPFFFM-DYVFJYSZSA-N 1 1 335.404 0.860 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cncnc1)C[C@H](C)O2 ZINC001071164272 784636815 /nfs/dbraw/zinc/63/68/15/784636815.db2.gz JTULLMQIPHSJHH-YJBOKZPZSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cccn3nnnc13)C[C@H](C)O2 ZINC001071171998 784655334 /nfs/dbraw/zinc/65/53/34/784655334.db2.gz VTNLOGJKUVQOQP-GUYCJALGSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccn3nnnc13)C[C@H](C)O2 ZINC001071171998 784655338 /nfs/dbraw/zinc/65/53/38/784655338.db2.gz VTNLOGJKUVQOQP-GUYCJALGSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc(C3CC3)nn1)C[C@H](C)O2 ZINC001071176592 784666659 /nfs/dbraw/zinc/66/66/59/784666659.db2.gz XYRUANMSPVBESQ-KSSFIOAISA-N 1 1 343.431 0.481 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@H](C)O2 ZINC001071178928 784674393 /nfs/dbraw/zinc/67/43/93/784674393.db2.gz YHOMATQEISLHHA-KSSFIOAISA-N 1 1 346.431 0.662 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@@H](C)O2 ZINC001071178929 784674710 /nfs/dbraw/zinc/67/47/10/784674710.db2.gz YHOMATQEISLHHA-RDTXWAMCSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@H](C)O2 ZINC001071179974 784676989 /nfs/dbraw/zinc/67/69/89/784676989.db2.gz CWZQTZFGCNUCOC-HNAYVOBHSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc[nH]c1=O)C[C@H](C)O2 ZINC001071180142 784677703 /nfs/dbraw/zinc/67/77/03/784677703.db2.gz HFKUHCNKALCOOL-GUYCJALGSA-N 1 1 330.388 0.511 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@@H](C)O2 ZINC001071184219 784687049 /nfs/dbraw/zinc/68/70/49/784687049.db2.gz ZVNUOKZZENBZHR-RDTXWAMCSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@H](C)O2 ZINC001071184150 784687156 /nfs/dbraw/zinc/68/71/56/784687156.db2.gz YWUHQLUIYURGHA-HNAYVOBHSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ncnc3[nH]ccc31)C[C@@H](C)O2 ZINC001071187183 784692964 /nfs/dbraw/zinc/69/29/64/784692964.db2.gz ZEQJXRFQPSBNDM-ACJLOTCBSA-N 1 1 339.399 0.848 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncnc3[nH]ccc31)C[C@@H](C)O2 ZINC001071187183 784692969 /nfs/dbraw/zinc/69/29/69/784692969.db2.gz ZEQJXRFQPSBNDM-ACJLOTCBSA-N 1 1 339.399 0.848 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@@H](C)O2 ZINC001071189335 784693892 /nfs/dbraw/zinc/69/38/92/784693892.db2.gz JQCLAFUJWZXTHD-CXAGYDPISA-N 1 1 332.404 0.977 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@@H](C)O2 ZINC001071190114 784696729 /nfs/dbraw/zinc/69/67/29/784696729.db2.gz UIXHNMPADNEFGJ-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)c(C)n[nH]c1=O)C[C@H](C)O2 ZINC001071197116 784715383 /nfs/dbraw/zinc/71/53/83/784715383.db2.gz NMXYSCPXCDRRBX-SGTLLEGYSA-N 1 1 344.415 0.738 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CCCO)C3)C2)c1 ZINC001071211153 784744287 /nfs/dbraw/zinc/74/42/87/784744287.db2.gz COQURKXELXCORS-HNAYVOBHSA-N 1 1 343.427 0.751 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CC(=O)NC)C3)C2)C1 ZINC001071212430 784748806 /nfs/dbraw/zinc/74/88/06/784748806.db2.gz XJZBWZNDKVMYEV-RDTXWAMCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@H+](CC(=O)NC)C3)C2)C1 ZINC001071212430 784748816 /nfs/dbraw/zinc/74/88/16/784748816.db2.gz XJZBWZNDKVMYEV-RDTXWAMCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@H+](CCF)C3)C2)nn1 ZINC001071215843 784756142 /nfs/dbraw/zinc/75/61/42/784756142.db2.gz HQYFGIFTWMUPJZ-CJNGLKHVSA-N 1 1 337.399 0.739 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CCF)C3)C2)nn1 ZINC001071215843 784756149 /nfs/dbraw/zinc/75/61/49/784756149.db2.gz HQYFGIFTWMUPJZ-CJNGLKHVSA-N 1 1 337.399 0.739 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@H](C)O2 ZINC001071219063 784763149 /nfs/dbraw/zinc/76/31/49/784763149.db2.gz SGTNASMGNJAMHT-GUYCJALGSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(COC)on1)C[C@H](C)O2 ZINC001071219271 784765226 /nfs/dbraw/zinc/76/52/26/784765226.db2.gz UPEQNDSTZWMQRW-GUYCJALGSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(COC)on1)C[C@H](C)O2 ZINC001071219271 784765237 /nfs/dbraw/zinc/76/52/37/784765237.db2.gz UPEQNDSTZWMQRW-GUYCJALGSA-N 1 1 333.388 0.760 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nnnc1C(C)C)C[C@H](C)O2 ZINC001071219763 784766370 /nfs/dbraw/zinc/76/63/70/784766370.db2.gz XWBFVXSZHQYCKQ-YOEHRIQHSA-N 1 1 348.451 0.674 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(CC)nn1C)C[C@H](C)O2 ZINC001071223124 784775659 /nfs/dbraw/zinc/77/56/59/784775659.db2.gz IWUDDHOXXRGOJF-KSSFIOAISA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)C[C@@H](C)O2 ZINC001071223629 784777142 /nfs/dbraw/zinc/77/71/42/784777142.db2.gz RHGHFYLISYTPPY-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)C[C@@H](C)O2 ZINC001071223629 784777150 /nfs/dbraw/zinc/77/71/50/784777150.db2.gz RHGHFYLISYTPPY-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@@H](C)O2 ZINC001071227930 784786934 /nfs/dbraw/zinc/78/69/34/784786934.db2.gz MKBWTRGIOHUFHQ-CXAGYDPISA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@@H](C)O2 ZINC001071227930 784786937 /nfs/dbraw/zinc/78/69/37/784786937.db2.gz MKBWTRGIOHUFHQ-CXAGYDPISA-N 1 1 330.388 0.424 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1nonc1C)C[C@@H](C)O2 ZINC001071228259 784788675 /nfs/dbraw/zinc/78/86/75/784788675.db2.gz RNKPNGCNDXQYJA-DYVFJYSZSA-N 1 1 332.404 0.636 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@@H](C)O2 ZINC001071240279 784811978 /nfs/dbraw/zinc/81/19/78/784811978.db2.gz CEAJXDYPLITXQM-SJKOYZFVSA-N 1 1 330.388 0.052 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cocn3)C2)C(=O)C1 ZINC001071259058 784867485 /nfs/dbraw/zinc/86/74/85/784867485.db2.gz XCWBQCVZJFJANE-CQSZACIVSA-N 1 1 332.404 1.000 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cocn3)C2)C(=O)C1 ZINC001071259058 784867496 /nfs/dbraw/zinc/86/74/96/784867496.db2.gz XCWBQCVZJFJANE-CQSZACIVSA-N 1 1 332.404 1.000 20 30 ECEDMO C#CCN1CCN([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C(=O)C1 ZINC001071271949 784905388 /nfs/dbraw/zinc/90/53/88/784905388.db2.gz BKSXQCGACCIBKA-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C(=O)C1 ZINC001071272495 784907446 /nfs/dbraw/zinc/90/74/46/784907446.db2.gz PTIJUHRJVZHSLW-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277146 784922774 /nfs/dbraw/zinc/92/27/74/784922774.db2.gz LMHCOZFNLSZZNS-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCN1CCN([C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277552 784924813 /nfs/dbraw/zinc/92/48/13/784924813.db2.gz YEROPADLYZYIBS-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)CSCC#N)C2)C1 ZINC001071346371 784987247 /nfs/dbraw/zinc/98/72/47/784987247.db2.gz NVVRVIXAIUTRPK-ZIAGYGMSSA-N 1 1 338.477 0.692 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CCn1cncn1 ZINC001071431797 785078841 /nfs/dbraw/zinc/07/88/41/785078841.db2.gz VTZRLVIQOYACEN-OCCSQVGLSA-N 1 1 327.392 0.761 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC[C@@H]1C ZINC001071834723 785190742 /nfs/dbraw/zinc/19/07/42/785190742.db2.gz BVGAWKCHEVMYPM-KBPBESRZSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC[C@H]1C ZINC001071834724 785190992 /nfs/dbraw/zinc/19/09/92/785190992.db2.gz BVGAWKCHEVMYPM-KGLIPLIRSA-N 1 1 330.432 0.957 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C ZINC001071519401 785240501 /nfs/dbraw/zinc/24/05/01/785240501.db2.gz XGNCBFFQUUDZOS-CHWSQXEVSA-N 1 1 334.424 0.312 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001071875775 785255535 /nfs/dbraw/zinc/25/55/35/785255535.db2.gz YLKVKSXHZYBDAC-IUODEOHRSA-N 1 1 331.420 0.803 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@H]1C ZINC001071890601 785278370 /nfs/dbraw/zinc/27/83/70/785278370.db2.gz OWWJPZDPRFTFQT-HUUCEWRRSA-N 1 1 346.435 0.171 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001071918936 785333198 /nfs/dbraw/zinc/33/31/98/785333198.db2.gz UUXJXLXUTHOBJC-IUODEOHRSA-N 1 1 331.420 0.803 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC[C@@H]1C ZINC001071930276 785354630 /nfs/dbraw/zinc/35/46/30/785354630.db2.gz CIHFMYHQGSJPAB-HOCLYGCPSA-N 1 1 330.432 0.853 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@H]1C ZINC001071622714 785407791 /nfs/dbraw/zinc/40/77/91/785407791.db2.gz MKMQNSPPAXPAOS-YPMHNXCESA-N 1 1 339.417 0.533 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc3sccn3c2=O)CC[C@H]1C ZINC001071662378 785475673 /nfs/dbraw/zinc/47/56/73/785475673.db2.gz CGZLFRTUGVOSKG-VXGBXAGGSA-N 1 1 330.413 0.972 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1C ZINC001071987459 785482211 /nfs/dbraw/zinc/48/22/11/785482211.db2.gz DAQARGNYOXYUEB-NEPJUHHUSA-N 1 1 330.392 0.576 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC[C@H]1C ZINC001071990423 785489853 /nfs/dbraw/zinc/48/98/53/785489853.db2.gz ZVWWSEWOUZFZQU-GHMZBOCLSA-N 1 1 334.376 0.502 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001072096610 785662048 /nfs/dbraw/zinc/66/20/48/785662048.db2.gz BMHIZGGFOHRBLV-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](C)C1 ZINC001072097600 785664434 /nfs/dbraw/zinc/66/44/34/785664434.db2.gz OSHADNBIXBVZGL-GJZGRUSLSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cc(C)no4)C3)C2)C1=O ZINC001072462195 786219379 /nfs/dbraw/zinc/21/93/79/786219379.db2.gz AVFPHOQCVYWVAB-CQSZACIVSA-N 1 1 344.415 0.918 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001074243414 786495340 /nfs/dbraw/zinc/49/53/40/786495340.db2.gz LJRPBPSWJJJDCT-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)c3ccc[nH]3)C2)C1=O ZINC001073534018 786498582 /nfs/dbraw/zinc/49/85/82/786498582.db2.gz RVUWABGEELTXGB-ZBFHGGJFSA-N 1 1 346.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)c3ccc[nH]3)C2)C1=O ZINC001073534018 786498586 /nfs/dbraw/zinc/49/85/86/786498586.db2.gz RVUWABGEELTXGB-ZBFHGGJFSA-N 1 1 346.431 0.622 20 30 ECEDMO C#CCN1CCO[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001074281972 786581906 /nfs/dbraw/zinc/58/19/06/786581906.db2.gz KSMNYVOTBQAONR-HZPDHXFCSA-N 1 1 332.404 0.285 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)no1 ZINC001074281952 786582885 /nfs/dbraw/zinc/58/28/85/786582885.db2.gz KKLVGIJTHJGCFN-HUUCEWRRSA-N 1 1 333.392 0.175 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)c1 ZINC001073567907 786630911 /nfs/dbraw/zinc/63/09/11/786630911.db2.gz FLIUOUFSOBSHCP-ZFWWWQNUSA-N 1 1 332.404 0.744 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC001074308856 786644137 /nfs/dbraw/zinc/64/41/37/786644137.db2.gz ODPWTFKTFRZOHZ-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCN(C2CN(C(=O)C#CC3CC3)C2)CC1 ZINC001073584623 786691041 /nfs/dbraw/zinc/69/10/41/786691041.db2.gz JRYGMJIRJBDGJW-UHFFFAOYSA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CCOC)c2C)C1 ZINC001073601426 786747763 /nfs/dbraw/zinc/74/77/63/786747763.db2.gz MCJWCEMNLRBYBQ-INIZCTEOSA-N 1 1 348.447 0.682 20 30 ECEDMO C=C(C)CN1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001074360269 786751563 /nfs/dbraw/zinc/75/15/63/786751563.db2.gz MPQMPVMVLJBCJU-IAGOWNOFSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001073603788 786755943 /nfs/dbraw/zinc/75/59/43/786755943.db2.gz OOCGDYCVMUMZLV-HIFRSBDPSA-N 1 1 347.419 0.156 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001073617612 786778953 /nfs/dbraw/zinc/77/89/53/786778953.db2.gz IQQIVKAPTXEISR-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001073617612 786778958 /nfs/dbraw/zinc/77/89/58/786778958.db2.gz IQQIVKAPTXEISR-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3n[nH]nc32)C1 ZINC001073618225 786780946 /nfs/dbraw/zinc/78/09/46/786780946.db2.gz XUWSWNHPESKIEK-CYBMUJFWSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625336 786798165 /nfs/dbraw/zinc/79/81/65/786798165.db2.gz CXBMIZOFBFQGSE-JKSUJKDBSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001073631617 786820935 /nfs/dbraw/zinc/82/09/35/786820935.db2.gz ROIMZMABFFYDBU-HNNXBMFYSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001073631617 786820944 /nfs/dbraw/zinc/82/09/44/786820944.db2.gz ROIMZMABFFYDBU-HNNXBMFYSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001073632229 786823061 /nfs/dbraw/zinc/82/30/61/786823061.db2.gz YOSVUCQXXCDIAD-AWEZNQCLSA-N 1 1 332.404 0.428 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001073632229 786823076 /nfs/dbraw/zinc/82/30/76/786823076.db2.gz YOSVUCQXXCDIAD-AWEZNQCLSA-N 1 1 332.404 0.428 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001073633654 786826383 /nfs/dbraw/zinc/82/63/83/786826383.db2.gz BWAIYWHJZYLDIM-WBVHZDCISA-N 1 1 342.443 0.812 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3ccncc23)C1 ZINC001073637205 786837234 /nfs/dbraw/zinc/83/72/34/786837234.db2.gz SUUQNWNUDYBRMT-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001073640064 786845255 /nfs/dbraw/zinc/84/52/55/786845255.db2.gz SPVIHGRVPLUBIW-LBPRGKRZSA-N 1 1 328.372 0.722 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001073640064 786845269 /nfs/dbraw/zinc/84/52/69/786845269.db2.gz SPVIHGRVPLUBIW-LBPRGKRZSA-N 1 1 328.372 0.722 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001073647113 786865154 /nfs/dbraw/zinc/86/51/54/786865154.db2.gz FFQVQJQEKZGBMP-CYBMUJFWSA-N 1 1 330.388 0.514 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001073647113 786865163 /nfs/dbraw/zinc/86/51/63/786865163.db2.gz FFQVQJQEKZGBMP-CYBMUJFWSA-N 1 1 330.388 0.514 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001074403181 786869386 /nfs/dbraw/zinc/86/93/86/786869386.db2.gz RPFWSOAXDBNTKC-HUUCEWRRSA-N 1 1 349.431 0.403 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001074403181 786869399 /nfs/dbraw/zinc/86/93/99/786869399.db2.gz RPFWSOAXDBNTKC-HUUCEWRRSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001073649142 786871386 /nfs/dbraw/zinc/87/13/86/786871386.db2.gz MYBFUFHGCMOUAL-ZDUSSCGKSA-N 1 1 340.374 0.911 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001073649142 786871390 /nfs/dbraw/zinc/87/13/90/786871390.db2.gz MYBFUFHGCMOUAL-ZDUSSCGKSA-N 1 1 340.374 0.911 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001073663019 786907888 /nfs/dbraw/zinc/90/78/88/786907888.db2.gz UCJLSDDMXXBMLM-LBPRGKRZSA-N 1 1 336.392 0.501 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@H]21 ZINC001074417791 786919859 /nfs/dbraw/zinc/91/98/59/786919859.db2.gz UTGQHBHGZHIPJA-CVEARBPZSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@H]21 ZINC001074417791 786919862 /nfs/dbraw/zinc/91/98/62/786919862.db2.gz UTGQHBHGZHIPJA-CVEARBPZSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001073670511 786924872 /nfs/dbraw/zinc/92/48/72/786924872.db2.gz IFRRHSYQEQEUMG-NVXWUHKLSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001073671164 786928776 /nfs/dbraw/zinc/92/87/76/786928776.db2.gz XBROKNPLMNCQNN-ZDUSSCGKSA-N 1 1 343.387 0.508 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001073710207 787021120 /nfs/dbraw/zinc/02/11/20/787021120.db2.gz TZOSXWPCDCUTBK-HZPDHXFCSA-N 1 1 347.463 0.932 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001073739313 787089023 /nfs/dbraw/zinc/08/90/23/787089023.db2.gz PTNDVRFBHZNODJ-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001073739313 787089032 /nfs/dbraw/zinc/08/90/32/787089032.db2.gz PTNDVRFBHZNODJ-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001073742772 787100237 /nfs/dbraw/zinc/10/02/37/787100237.db2.gz FMAUTHVUXOKYTE-CYBMUJFWSA-N 1 1 344.419 0.760 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001073743312 787102181 /nfs/dbraw/zinc/10/21/81/787102181.db2.gz SIUJHPQNWUKVLY-CYBMUJFWSA-N 1 1 342.403 0.207 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001073743312 787102185 /nfs/dbraw/zinc/10/21/85/787102185.db2.gz SIUJHPQNWUKVLY-CYBMUJFWSA-N 1 1 342.403 0.207 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CSCC#N)[C@H](C)C1 ZINC001073744237 787105480 /nfs/dbraw/zinc/10/54/80/787105480.db2.gz KGPTZSZDRMVWMK-KGLIPLIRSA-N 1 1 340.493 0.938 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001073746213 787113182 /nfs/dbraw/zinc/11/31/82/787113182.db2.gz RYUBLRGHWPBYBW-LSDHHAIUSA-N 1 1 347.463 0.703 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001074512083 787133158 /nfs/dbraw/zinc/13/31/58/787133158.db2.gz HWHYXKBRGAVMBR-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001073766320 787161112 /nfs/dbraw/zinc/16/11/12/787161112.db2.gz BPUGDOQQQHAPFI-CYBMUJFWSA-N 1 1 329.404 0.975 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)CCCO1 ZINC001073775425 787182443 /nfs/dbraw/zinc/18/24/43/787182443.db2.gz SOOBWKDNAQPHFD-ZACQAIPSSA-N 1 1 348.447 0.681 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2C[N@@H+](C[C@H](C)O)CCCO2)nn1 ZINC001073812840 787244904 /nfs/dbraw/zinc/24/49/04/787244904.db2.gz GHUHNPDMLKOCEN-KBPBESRZSA-N 1 1 337.424 0.056 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001073815603 787250072 /nfs/dbraw/zinc/25/00/72/787250072.db2.gz FMTNQEZQRIIJFD-AWEZNQCLSA-N 1 1 345.403 0.832 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)s2)C1 ZINC001073816157 787251757 /nfs/dbraw/zinc/25/17/57/787251757.db2.gz WFOCHHZQVXSCCV-GFCCVEGCSA-N 1 1 335.429 0.691 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)s2)C1 ZINC001073816157 787251760 /nfs/dbraw/zinc/25/17/60/787251760.db2.gz WFOCHHZQVXSCCV-GFCCVEGCSA-N 1 1 335.429 0.691 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001073816752 787253621 /nfs/dbraw/zinc/25/36/21/787253621.db2.gz FOGMMKIKQTUJJK-ZFWWWQNUSA-N 1 1 334.420 0.747 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001074582106 787321918 /nfs/dbraw/zinc/32/19/18/787321918.db2.gz HWZSASMMNAORBT-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nccn3cc(C)nc23)C1 ZINC001073848349 787350230 /nfs/dbraw/zinc/35/02/30/787350230.db2.gz UEGLOEGCTNPCSF-AWEZNQCLSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nccn3cc(C)nc23)C1 ZINC001073848349 787350240 /nfs/dbraw/zinc/35/02/40/787350240.db2.gz UEGLOEGCTNPCSF-AWEZNQCLSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074603273 787375537 /nfs/dbraw/zinc/37/55/37/787375537.db2.gz BZWJDUVMEBVKRF-HZPDHXFCSA-N 1 1 349.475 0.600 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)COC)CCCO2)cn1 ZINC001073865947 787400747 /nfs/dbraw/zinc/40/07/47/787400747.db2.gz QFAZSCXIYXKUQL-WMLDXEAASA-N 1 1 331.416 0.919 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001073873524 787415822 /nfs/dbraw/zinc/41/58/22/787415822.db2.gz DBWJMCYPYMIRCP-INIZCTEOSA-N 1 1 334.420 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C=C(C)C)CC1 ZINC001074626787 787440881 /nfs/dbraw/zinc/44/08/81/787440881.db2.gz BTYJWUUEMOYZSS-INIZCTEOSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C=C(C)C)CC1 ZINC001074626787 787440889 /nfs/dbraw/zinc/44/08/89/787440889.db2.gz BTYJWUUEMOYZSS-INIZCTEOSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001073893483 787458083 /nfs/dbraw/zinc/45/80/83/787458083.db2.gz USIGJFWRIBPAOB-QGZVFWFLSA-N 1 1 343.427 0.890 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001073895787 787463943 /nfs/dbraw/zinc/46/39/43/787463943.db2.gz BGXMPLJPUVNXII-ZBFHGGJFSA-N 1 1 330.432 0.745 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001073896317 787465041 /nfs/dbraw/zinc/46/50/41/787465041.db2.gz PMOHWJCDEPYYTJ-ZDUSSCGKSA-N 1 1 330.388 0.025 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001073901748 787483473 /nfs/dbraw/zinc/48/34/73/787483473.db2.gz DJYDOBVGMDRGBY-CABCVRRESA-N 1 1 331.420 0.071 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2c(OC)ncnc2OC)C1 ZINC001073908604 787497735 /nfs/dbraw/zinc/49/77/35/787497735.db2.gz PXYHLSMLDQPGMT-CYBMUJFWSA-N 1 1 348.403 0.338 20 30 ECEDMO CC#CCCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001074680866 787578885 /nfs/dbraw/zinc/57/88/85/787578885.db2.gz GMFFVLFYRBDRBQ-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001073959779 787586418 /nfs/dbraw/zinc/58/64/18/787586418.db2.gz HTYQMGWRWNNSMI-RDJZCZTQSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001073971844 787610631 /nfs/dbraw/zinc/61/06/31/787610631.db2.gz OWLXPTJNXGHTRX-DZGCQCFKSA-N 1 1 334.420 0.747 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001074730979 787719463 /nfs/dbraw/zinc/71/94/63/787719463.db2.gz CGXVPCDVKGHGPJ-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001074731408 787722243 /nfs/dbraw/zinc/72/22/43/787722243.db2.gz QBVSKQCDUIWJAM-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001074731648 787722847 /nfs/dbraw/zinc/72/28/47/787722847.db2.gz YMWPELCAKGNMIH-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO CCn1nncc1C[N@@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072592716 788385944 /nfs/dbraw/zinc/38/59/44/788385944.db2.gz NJHRVSORVJNLGI-UHFFFAOYSA-N 1 1 339.403 0.846 20 30 ECEDMO CCn1nncc1C[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072592716 788385949 /nfs/dbraw/zinc/38/59/49/788385949.db2.gz NJHRVSORVJNLGI-UHFFFAOYSA-N 1 1 339.403 0.846 20 30 ECEDMO C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC001072732763 788665898 /nfs/dbraw/zinc/66/58/98/788665898.db2.gz XCGIDOAXVDWLCC-CYBMUJFWSA-N 1 1 329.404 0.483 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001074991798 788681550 /nfs/dbraw/zinc/68/15/50/788681550.db2.gz YPHBKEIKZVUPSI-HOTGVXAUSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1cnns1)C2 ZINC001072822697 788891871 /nfs/dbraw/zinc/89/18/71/788891871.db2.gz TTXPFYLPGGSEQH-HNNXBMFYSA-N 1 1 345.472 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1cnns1)C2 ZINC001072822697 788891885 /nfs/dbraw/zinc/89/18/85/788891885.db2.gz TTXPFYLPGGSEQH-HNNXBMFYSA-N 1 1 345.472 0.670 20 30 ECEDMO CC(C)C#CC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001072922488 789118930 /nfs/dbraw/zinc/11/89/30/789118930.db2.gz PVFAXQVIEXITDZ-OAHLLOKOSA-N 1 1 335.448 0.474 20 30 ECEDMO CC(C)C#CC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001072922488 789118935 /nfs/dbraw/zinc/11/89/35/789118935.db2.gz PVFAXQVIEXITDZ-OAHLLOKOSA-N 1 1 335.448 0.474 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)s1 ZINC001072985603 789224283 /nfs/dbraw/zinc/22/42/83/789224283.db2.gz BCTRATIUGYUYQY-KGLIPLIRSA-N 1 1 344.440 0.775 20 30 ECEDMO CC1(NC(=O)CC[NH+]2CCOCC2)CCN(C(=O)C#CC2CC2)CC1 ZINC001073011533 789271106 /nfs/dbraw/zinc/27/11/06/789271106.db2.gz JCOGORDXLKCJOK-UHFFFAOYSA-N 1 1 347.459 0.619 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C(C)(F)F)[C@@H]3C2)C1=O ZINC001075485596 789403503 /nfs/dbraw/zinc/40/35/03/789403503.db2.gz MFDLUSITQKZKQZ-YNEHKIRRSA-N 1 1 327.375 0.961 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cccc(-n4cncn4)n3)C2)C1 ZINC001073087792 789421524 /nfs/dbraw/zinc/42/15/24/789421524.db2.gz KFAUATZUCMWXJK-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc[nH]4)[C@@H]3C2)C1=O ZINC001075543392 789475377 /nfs/dbraw/zinc/47/53/77/789475377.db2.gz FUCIEMLBYLCUNY-NUEKZKHPSA-N 1 1 328.416 0.948 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cccn4C)[C@@H]3C2)C1=O ZINC001075558288 789493420 /nfs/dbraw/zinc/49/34/20/789493420.db2.gz FGVQHGCYUCGECY-BHYGNILZSA-N 1 1 342.443 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@H](CC)C(N)=O)C3)cn1 ZINC001073136087 789508025 /nfs/dbraw/zinc/50/80/25/789508025.db2.gz ZKILLZVXSADXGP-OAHLLOKOSA-N 1 1 326.400 0.475 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001073260364 789668779 /nfs/dbraw/zinc/66/87/79/789668779.db2.gz HWKCADPQJXMGMC-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001073355461 789756689 /nfs/dbraw/zinc/75/66/89/789756689.db2.gz NSIXJJQWOYUERQ-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001073355461 789756695 /nfs/dbraw/zinc/75/66/95/789756695.db2.gz NSIXJJQWOYUERQ-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001073476018 789878490 /nfs/dbraw/zinc/87/84/90/789878490.db2.gz PUYWPIJMPLREPF-UHFFFAOYSA-N 1 1 325.412 0.886 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069616022 789934064 /nfs/dbraw/zinc/93/40/64/789934064.db2.gz DVCMNEZWZHIZJS-KBPBESRZSA-N 1 1 342.447 0.903 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(Nc2ccc(C#N)nn2)C1 ZINC001069802064 790042159 /nfs/dbraw/zinc/04/21/59/790042159.db2.gz NSFRHQSEWZURCL-GPANFISMSA-N 1 1 338.415 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(Nc2ccc(C#N)nn2)C1 ZINC001069802064 790042164 /nfs/dbraw/zinc/04/21/64/790042164.db2.gz NSFRHQSEWZURCL-GPANFISMSA-N 1 1 338.415 0.847 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 ZINC001069830844 790064459 /nfs/dbraw/zinc/06/44/59/790064459.db2.gz HVVUGJFKQHSXBN-UKRRQHHQSA-N 1 1 340.431 0.799 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2=CCN(c3cncc(C#N)n3)CC2)CC[N@H+]1C ZINC001069834032 790066158 /nfs/dbraw/zinc/06/61/58/790066158.db2.gz YKDOWWCIOYQNOX-CZUORRHYSA-N 1 1 340.431 0.941 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CCN(c2cccc(CNC(=O)c3cnn[nH]3)n2)C1 ZINC001069839964 790073415 /nfs/dbraw/zinc/07/34/15/790073415.db2.gz MYCXJYZCFCJRBN-CQSZACIVSA-N 1 1 341.419 0.874 20 30 ECEDMO C=C(C)CN1CCn2ncc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)c2C1 ZINC001069857099 790106242 /nfs/dbraw/zinc/10/62/42/790106242.db2.gz ZUHVXGLXPFYNQD-INIZCTEOSA-N 1 1 333.436 0.222 20 30 ECEDMO C=C(C)CN1CCn2ncc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)c2C1 ZINC001069857099 790106246 /nfs/dbraw/zinc/10/62/46/790106246.db2.gz ZUHVXGLXPFYNQD-INIZCTEOSA-N 1 1 333.436 0.222 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCN(C)C3=O)c2C1 ZINC001069870358 790131097 /nfs/dbraw/zinc/13/10/97/790131097.db2.gz MQZLIADQLGDRDO-HNNXBMFYSA-N 1 1 345.447 0.759 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCN(C)C3=O)c2C1 ZINC001069870358 790131100 /nfs/dbraw/zinc/13/11/00/790131100.db2.gz MQZLIADQLGDRDO-HNNXBMFYSA-N 1 1 345.447 0.759 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)on2)[C@@H](n2ccnn2)C1 ZINC001069903581 790172471 /nfs/dbraw/zinc/17/24/71/790172471.db2.gz FFVFIJNRLZECFF-CABCVRRESA-N 1 1 330.392 0.735 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069910063 790179618 /nfs/dbraw/zinc/17/96/18/790179618.db2.gz CZWHHGNNEINLOD-MJBXVCDLSA-N 1 1 333.392 0.149 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2cncn2)[C@@H](n2ccnn2)C1 ZINC001069911867 790181047 /nfs/dbraw/zinc/18/10/47/790181047.db2.gz AUKGVQZFTZKPSI-MJBXVCDLSA-N 1 1 330.396 0.048 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC(OCC)C2)[C@@H](n2ccnn2)C1 ZINC001069918264 790188137 /nfs/dbraw/zinc/18/81/37/790188137.db2.gz IGLAZZCKPXJTLU-FJBKBRRZSA-N 1 1 331.420 0.458 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069918164 790188491 /nfs/dbraw/zinc/18/84/91/790188491.db2.gz BOEJNRORXYCYQB-CABCVRRESA-N 1 1 329.408 0.172 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(c3ccccn3)CC2)[C@@H](n2ccnn2)C1 ZINC001069927038 790197984 /nfs/dbraw/zinc/19/79/84/790197984.db2.gz FUFJWACFVVTUKK-CABCVRRESA-N 1 1 338.415 0.932 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2(c3ccccn3)CC2)[C@@H](n2ccnn2)C1 ZINC001069927038 790197985 /nfs/dbraw/zinc/19/79/85/790197985.db2.gz FUFJWACFVVTUKK-CABCVRRESA-N 1 1 338.415 0.932 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069929344 790201407 /nfs/dbraw/zinc/20/14/07/790201407.db2.gz CPUGAZWFFUYQDB-OCCSQVGLSA-N 1 1 327.392 0.262 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069929344 790201413 /nfs/dbraw/zinc/20/14/13/790201413.db2.gz CPUGAZWFFUYQDB-OCCSQVGLSA-N 1 1 327.392 0.262 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)[C@@H](n2ccnn2)C1 ZINC001069929540 790202205 /nfs/dbraw/zinc/20/22/05/790202205.db2.gz IWAKPTXGBZAJKO-NEPJUHHUSA-N 1 1 348.432 0.975 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)[C@@H](n2ccnn2)C1 ZINC001069929540 790202209 /nfs/dbraw/zinc/20/22/09/790202209.db2.gz IWAKPTXGBZAJKO-NEPJUHHUSA-N 1 1 348.432 0.975 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929934 790202684 /nfs/dbraw/zinc/20/26/84/790202684.db2.gz UORFBRJNFAEEDM-FMKPAKJESA-N 1 1 341.419 0.180 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068836110 791227807 /nfs/dbraw/zinc/22/78/07/791227807.db2.gz AXLARCFTWPJERL-GJZGRUSLSA-N 1 1 333.432 0.370 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001068853515 791268556 /nfs/dbraw/zinc/26/85/56/791268556.db2.gz OCQAWQYQSMASCK-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068858581 791278474 /nfs/dbraw/zinc/27/84/74/791278474.db2.gz HJLCVJWBHLSMNK-HZPDHXFCSA-N 1 1 347.459 0.474 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001068940252 791468431 /nfs/dbraw/zinc/46/84/31/791468431.db2.gz LPVAZAQMGCGAKS-UONOGXRCSA-N 1 1 336.436 0.364 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)C[C@@H]1C ZINC001069107113 791707136 /nfs/dbraw/zinc/70/71/36/791707136.db2.gz LIBWYLDHCIJBNB-FZMZJTMJSA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)C[C@@H]1C ZINC001069107191 791707206 /nfs/dbraw/zinc/70/72/06/791707206.db2.gz LYDOVALVCZVJDD-AAEUAGOBSA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001066675814 791970395 /nfs/dbraw/zinc/97/03/95/791970395.db2.gz UFHUBNJQSXQREY-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO COCC(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)c(C)n3)CC2)C1 ZINC001066697787 792015319 /nfs/dbraw/zinc/01/53/19/792015319.db2.gz CSVLWNMDNUGTDS-INIZCTEOSA-N 1 1 343.431 0.631 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001066750696 792097391 /nfs/dbraw/zinc/09/73/91/792097391.db2.gz XQJAUJPXQLDEFN-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1cnc(C#N)cn1 ZINC001067742109 792212241 /nfs/dbraw/zinc/21/22/41/792212241.db2.gz HZFJKUPIXMISBR-HUUCEWRRSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1nccnc1C#N ZINC001067742973 792212779 /nfs/dbraw/zinc/21/27/79/792212779.db2.gz SFIQYKFQJCKOMW-ZFWWWQNUSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(C#N)nn1 ZINC001067762771 792246002 /nfs/dbraw/zinc/24/60/02/792246002.db2.gz HSALTQBIDVVNFZ-UKRRQHHQSA-N 1 1 328.420 0.727 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)CCCN(C)C(=O)CSCC#N ZINC001066873780 792247181 /nfs/dbraw/zinc/24/71/81/792247181.db2.gz ZZMHUYDDOVZIOP-UHFFFAOYSA-N 1 1 337.449 0.755 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)CC2(C)C)C1 ZINC001068102070 792671988 /nfs/dbraw/zinc/67/19/88/792671988.db2.gz GYZIAHAKMJNKIH-HZPDHXFCSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)CC2(C)C)C1 ZINC001068102070 792671991 /nfs/dbraw/zinc/67/19/91/792671991.db2.gz GYZIAHAKMJNKIH-HZPDHXFCSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3ccc(C#N)cn3)CC2(C)C)C1 ZINC001068102007 792672658 /nfs/dbraw/zinc/67/26/58/792672658.db2.gz FHTQYHMINQXNNN-GJZGRUSLSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3ccc(C#N)cn3)CC2(C)C)C1 ZINC001068102007 792672666 /nfs/dbraw/zinc/67/26/66/792672666.db2.gz FHTQYHMINQXNNN-GJZGRUSLSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)CC2(C)C)C1 ZINC001068102261 792673830 /nfs/dbraw/zinc/67/38/30/792673830.db2.gz LHHMLXNQWVFZEH-ZIAGYGMSSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)CC2(C)C)C1 ZINC001068102261 792673837 /nfs/dbraw/zinc/67/38/37/792673837.db2.gz LHHMLXNQWVFZEH-ZIAGYGMSSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)CC2(C)C)C1 ZINC001068113862 792694425 /nfs/dbraw/zinc/69/44/25/792694425.db2.gz TXGWSLLJGQPKIT-TZMCWYRMSA-N 1 1 328.420 0.631 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2ccc(C#N)nn2)[C@@H](C)C1 ZINC001067109528 792706265 /nfs/dbraw/zinc/70/62/65/792706265.db2.gz UOYAQEYRKQDGMG-FZMZJTMJSA-N 1 1 325.376 0.812 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067119199 792717883 /nfs/dbraw/zinc/71/78/83/792717883.db2.gz VHGQSHZQPAJWLB-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001068393711 793197541 /nfs/dbraw/zinc/19/75/41/793197541.db2.gz YGIURWHKUJUPEC-UHFFFAOYSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001068398912 793215501 /nfs/dbraw/zinc/21/55/01/793215501.db2.gz JIYSEPRDAAPKPV-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001068399352 793217818 /nfs/dbraw/zinc/21/78/18/793217818.db2.gz ZNPJDYHVAGWBLP-OAHLLOKOSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)CN(C(=O)Cn1c[nH+]cc1C)CCO2 ZINC001068414218 793265232 /nfs/dbraw/zinc/26/52/32/793265232.db2.gz YGVWARYMCVONIY-UHFFFAOYSA-N 1 1 346.431 0.988 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001068461598 793351834 /nfs/dbraw/zinc/35/18/34/793351834.db2.gz RORXFYCTSOOMSV-UHFFFAOYSA-N 1 1 337.464 0.980 20 30 ECEDMO CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267454217 837437353 /nfs/dbraw/zinc/43/73/53/837437353.db2.gz LSLXGZGJCANVDO-UONOGXRCSA-N 1 1 334.420 0.608 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCN2C(=O)CCC2=O)C1 ZINC001267465423 837470273 /nfs/dbraw/zinc/47/02/73/837470273.db2.gz FPYSMZKDIIRHCU-OAHLLOKOSA-N 1 1 333.432 0.862 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267466026 837471012 /nfs/dbraw/zinc/47/10/12/837471012.db2.gz LBGCQAUUKKOQLG-UONOGXRCSA-N 1 1 331.420 0.492 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267466026 837471017 /nfs/dbraw/zinc/47/10/17/837471017.db2.gz LBGCQAUUKKOQLG-UONOGXRCSA-N 1 1 331.420 0.492 20 30 ECEDMO CCCN(C(=O)c1ccc(C(N)=O)[nH]1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267481033 837533868 /nfs/dbraw/zinc/53/38/68/837533868.db2.gz DTOGYYMKZUNXLK-AWEZNQCLSA-N 1 1 346.431 0.690 20 30 ECEDMO CCCN(C(=O)c1ccc(C(N)=O)[nH]1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267481033 837533872 /nfs/dbraw/zinc/53/38/72/837533872.db2.gz DTOGYYMKZUNXLK-AWEZNQCLSA-N 1 1 346.431 0.690 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001267485620 837546937 /nfs/dbraw/zinc/54/69/37/837546937.db2.gz XEEYUHJXWLUNRD-ZDUSSCGKSA-N 1 1 333.436 0.471 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2nc3nccc(C)n3n2)C1 ZINC001267487959 837551655 /nfs/dbraw/zinc/55/16/55/837551655.db2.gz HKJNKAJMFHPUHS-CQSZACIVSA-N 1 1 326.404 0.992 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2nc3nccc(C)n3n2)C1 ZINC001267487959 837551661 /nfs/dbraw/zinc/55/16/61/837551661.db2.gz HKJNKAJMFHPUHS-CQSZACIVSA-N 1 1 326.404 0.992 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccncc2F)C1 ZINC001267513511 837606777 /nfs/dbraw/zinc/60/67/77/837606777.db2.gz KOUYUYJBBTYMEG-ZIAGYGMSSA-N 1 1 346.406 0.800 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cccn2)C1 ZINC001267577757 837834940 /nfs/dbraw/zinc/83/49/40/837834940.db2.gz DRKMBUYVJXDYSK-JKSUJKDBSA-N 1 1 347.463 0.744 20 30 ECEDMO CCCN(C(=O)CSCC#N)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001267539689 837723411 /nfs/dbraw/zinc/72/34/11/837723411.db2.gz UEJUZLNXIBOQOJ-CHWSQXEVSA-N 1 1 326.466 0.691 20 30 ECEDMO CCCN(C(=O)CSCC#N)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001267539689 837723413 /nfs/dbraw/zinc/72/34/13/837723413.db2.gz UEJUZLNXIBOQOJ-CHWSQXEVSA-N 1 1 326.466 0.691 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCOC2)C1 ZINC001267540559 837724763 /nfs/dbraw/zinc/72/47/63/837724763.db2.gz OVIYCYBMKLFAIZ-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCOC2)C1 ZINC001267540559 837724768 /nfs/dbraw/zinc/72/47/68/837724768.db2.gz OVIYCYBMKLFAIZ-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001267543385 837730734 /nfs/dbraw/zinc/73/07/34/837730734.db2.gz GLWIKORTDLLQMS-OAHLLOKOSA-N 1 1 328.416 0.669 20 30 ECEDMO C#Cc1cncc(C(=O)N(CCC)[C@@H]2CC[N@@H+](C[C@@H](O)COC)C2)c1 ZINC001267546671 837740327 /nfs/dbraw/zinc/74/03/27/837740327.db2.gz RTQHVOCYMNEWBT-QZTJIDSGSA-N 1 1 345.443 0.997 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)c2[nH]cnc2C)C1 ZINC001267549747 837750925 /nfs/dbraw/zinc/75/09/25/837750925.db2.gz IDXSSZFABQWXCV-LSDHHAIUSA-N 1 1 345.447 0.783 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)c2[nH]cnc2C)C1 ZINC001267549747 837750934 /nfs/dbraw/zinc/75/09/34/837750934.db2.gz IDXSSZFABQWXCV-LSDHHAIUSA-N 1 1 345.447 0.783 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cnn(C)c2)C1 ZINC001267552160 837753334 /nfs/dbraw/zinc/75/33/34/837753334.db2.gz VTUYUDLXGFELAU-KBPBESRZSA-N 1 1 333.436 0.553 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267556374 837763480 /nfs/dbraw/zinc/76/34/80/837763480.db2.gz OZZVFGAQGHKOKQ-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001267557038 837764430 /nfs/dbraw/zinc/76/44/30/837764430.db2.gz XJNASGLTXZNXQU-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cc2cncs2)C1 ZINC001267558261 837767793 /nfs/dbraw/zinc/76/77/93/837767793.db2.gz VLFVGOBEWDJBBO-ZDUSSCGKSA-N 1 1 336.461 0.816 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](OC)C2CCC2)C1 ZINC001267560169 837769517 /nfs/dbraw/zinc/76/95/17/837769517.db2.gz DMCKYSZCMZTSOR-YOEHRIQHSA-N 1 1 335.448 0.379 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2nccn3ccnc23)C1 ZINC001267564823 837780348 /nfs/dbraw/zinc/78/03/48/837780348.db2.gz FVDPAUOPOAGURF-HNNXBMFYSA-N 1 1 341.415 0.821 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H]2CC[N@H+](Cc3ncccn3)C2)nn1 ZINC001267566342 837783982 /nfs/dbraw/zinc/78/39/82/837783982.db2.gz DFVUOHOZGFXFGX-AWEZNQCLSA-N 1 1 341.419 0.896 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H]2CC[N@@H+](Cc3ncccn3)C2)nn1 ZINC001267566342 837783990 /nfs/dbraw/zinc/78/39/90/837783990.db2.gz DFVUOHOZGFXFGX-AWEZNQCLSA-N 1 1 341.419 0.896 20 30 ECEDMO C=CCOCCN1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267576227 837829351 /nfs/dbraw/zinc/82/93/51/837829351.db2.gz UIDHAPFELQTKLL-QGZVFWFLSA-N 1 1 338.496 0.217 20 30 ECEDMO C=CCOCCN1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267576227 837829364 /nfs/dbraw/zinc/82/93/64/837829364.db2.gz UIDHAPFELQTKLL-QGZVFWFLSA-N 1 1 338.496 0.217 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC001267576888 837831973 /nfs/dbraw/zinc/83/19/73/837831973.db2.gz AUKRQFYQNWSXAQ-ZDUSSCGKSA-N 1 1 348.403 0.685 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001267576975 837833039 /nfs/dbraw/zinc/83/30/39/837833039.db2.gz CLXLZPDUUONGCI-UONOGXRCSA-N 1 1 329.404 0.008 20 30 ECEDMO CCc1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C2)[nH]n1 ZINC001267577909 837833520 /nfs/dbraw/zinc/83/35/20/837833520.db2.gz FUJRZEGAHRMVKY-LBPRGKRZSA-N 1 1 332.408 0.006 20 30 ECEDMO CCc1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C2)n[nH]1 ZINC001267577909 837833534 /nfs/dbraw/zinc/83/35/34/837833534.db2.gz FUJRZEGAHRMVKY-LBPRGKRZSA-N 1 1 332.408 0.006 20 30 ECEDMO CCc1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C2)n[nH]1 ZINC001267577909 837833548 /nfs/dbraw/zinc/83/35/48/837833548.db2.gz FUJRZEGAHRMVKY-LBPRGKRZSA-N 1 1 332.408 0.006 20 30 ECEDMO C#CC[NH+]1CCN(CCCNC(=O)COc2c(C)occc2=O)CC1 ZINC001266266720 835581373 /nfs/dbraw/zinc/58/13/73/835581373.db2.gz AKJJVQKVPIQZIF-UHFFFAOYSA-N 1 1 347.415 0.084 20 30 ECEDMO C#CCN1CC[NH+](CCCNC(=O)COc2c(C)occc2=O)CC1 ZINC001266266720 835581377 /nfs/dbraw/zinc/58/13/77/835581377.db2.gz AKJJVQKVPIQZIF-UHFFFAOYSA-N 1 1 347.415 0.084 20 30 ECEDMO C#CCCCC(=O)NCC[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001266270420 835591029 /nfs/dbraw/zinc/59/10/29/835591029.db2.gz RLSFDGXSBUDSRD-AWEZNQCLSA-N 1 1 329.466 0.119 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1ccn(C2CCOCC2)n1 ZINC001266274785 835598160 /nfs/dbraw/zinc/59/81/60/835598160.db2.gz BGKDSPFJLCIUDH-UHFFFAOYSA-N 1 1 334.420 0.546 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001266275233 835598516 /nfs/dbraw/zinc/59/85/16/835598516.db2.gz RBAUQZGCANTLET-QWHCGFSZSA-N 1 1 331.420 0.016 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001266275233 835598519 /nfs/dbraw/zinc/59/85/19/835598519.db2.gz RBAUQZGCANTLET-QWHCGFSZSA-N 1 1 331.420 0.016 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2cccc3ncn(C)c32)CC1 ZINC001266287975 835630685 /nfs/dbraw/zinc/63/06/85/835630685.db2.gz MUTFOPGAAAOLQI-UHFFFAOYSA-N 1 1 339.443 0.944 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001266321255 835693586 /nfs/dbraw/zinc/69/35/86/835693586.db2.gz NBASJPZLFVVQSK-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ncccc2NC(C)=O)C1 ZINC001266323249 835698581 /nfs/dbraw/zinc/69/85/81/835698581.db2.gz XWAWXTYQAAEMKN-CQSZACIVSA-N 1 1 330.388 0.494 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ncccc2NC(C)=O)C1 ZINC001266323249 835698585 /nfs/dbraw/zinc/69/85/85/835698585.db2.gz XWAWXTYQAAEMKN-CQSZACIVSA-N 1 1 330.388 0.494 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1noc2c1CCCC2 ZINC001266329811 835710775 /nfs/dbraw/zinc/71/07/75/835710775.db2.gz IKMPGPQMUSXJCA-LBPRGKRZSA-N 1 1 332.404 0.353 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1noc2c1CCCC2 ZINC001266329811 835710779 /nfs/dbraw/zinc/71/07/79/835710779.db2.gz IKMPGPQMUSXJCA-LBPRGKRZSA-N 1 1 332.404 0.353 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001266342396 835728431 /nfs/dbraw/zinc/72/84/31/835728431.db2.gz RNSCJFRRJQSEOB-HOCLYGCPSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001266342396 835728438 /nfs/dbraw/zinc/72/84/38/835728438.db2.gz RNSCJFRRJQSEOB-HOCLYGCPSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccc2[nH]c(C)nc21 ZINC001266345167 835734690 /nfs/dbraw/zinc/73/46/90/835734690.db2.gz XJXOZYZZESRKDZ-GFCCVEGCSA-N 1 1 341.415 0.671 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc2[nH]c(C)nc21 ZINC001266345167 835734701 /nfs/dbraw/zinc/73/47/01/835734701.db2.gz XJXOZYZZESRKDZ-GFCCVEGCSA-N 1 1 341.415 0.671 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001266347628 835739751 /nfs/dbraw/zinc/73/97/51/835739751.db2.gz QDPCLIYFTUISRA-NSHDSACASA-N 1 1 348.432 0.935 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)CC(=O)NCc1cccnc1 ZINC001266390536 835798253 /nfs/dbraw/zinc/79/82/53/835798253.db2.gz BHWZKTNCJRBZSE-UHFFFAOYSA-N 1 1 328.416 0.549 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)NCc1cccnc1 ZINC001266390536 835798262 /nfs/dbraw/zinc/79/82/62/835798262.db2.gz BHWZKTNCJRBZSE-UHFFFAOYSA-N 1 1 328.416 0.549 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001266399358 835806768 /nfs/dbraw/zinc/80/67/68/835806768.db2.gz SNXLLUJSYZLVOU-CABCVRRESA-N 1 1 345.447 0.022 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001266399358 835806774 /nfs/dbraw/zinc/80/67/74/835806774.db2.gz SNXLLUJSYZLVOU-CABCVRRESA-N 1 1 345.447 0.022 20 30 ECEDMO CC[N@H+](CCNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)CC(=O)NCC#N ZINC001266419983 835825069 /nfs/dbraw/zinc/82/50/69/835825069.db2.gz BSLXDPUWZUWTCW-BPQIPLTHSA-N 1 1 340.427 0.650 20 30 ECEDMO CC[N@@H+](CCNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)CC(=O)NCC#N ZINC001266419983 835825078 /nfs/dbraw/zinc/82/50/78/835825078.db2.gz BSLXDPUWZUWTCW-BPQIPLTHSA-N 1 1 340.427 0.650 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cnc2ccccc2c1)CC(=O)NCC#N ZINC001266420076 835825432 /nfs/dbraw/zinc/82/54/32/835825432.db2.gz FMKXMQKXAXQQAA-UHFFFAOYSA-N 1 1 339.399 0.926 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cnc2ccccc2c1)CC(=O)NCC#N ZINC001266420076 835825445 /nfs/dbraw/zinc/82/54/45/835825445.db2.gz FMKXMQKXAXQQAA-UHFFFAOYSA-N 1 1 339.399 0.926 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]([NH2+]Cc2nnc(C)s2)C2CC2)nn1 ZINC001266434293 835837771 /nfs/dbraw/zinc/83/77/71/835837771.db2.gz VNSDKQVPXVSXCG-LBPRGKRZSA-N 1 1 347.448 0.922 20 30 ECEDMO CS[C@H](C)C(=O)N1CCC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001266448051 835851953 /nfs/dbraw/zinc/85/19/53/835851953.db2.gz FRYURRMJIQNYHT-CHWSQXEVSA-N 1 1 326.466 0.548 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](OCC)C2CC2)C1 ZINC001266455845 835859132 /nfs/dbraw/zinc/85/91/32/835859132.db2.gz MEZSSTDSWKNWER-MAUKXSAKSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCCCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266457878 835860279 /nfs/dbraw/zinc/86/02/79/835860279.db2.gz ODYYTRUBBMHYBN-HNNXBMFYSA-N 1 1 348.447 0.749 20 30 ECEDMO C#CCCCCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266457878 835860286 /nfs/dbraw/zinc/86/02/86/835860286.db2.gz ODYYTRUBBMHYBN-HNNXBMFYSA-N 1 1 348.447 0.749 20 30 ECEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001266466012 835866890 /nfs/dbraw/zinc/86/68/90/835866890.db2.gz HGRBJUFRXPHWBN-OAHLLOKOSA-N 1 1 331.391 0.833 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCC(=C)C ZINC001266465579 835867285 /nfs/dbraw/zinc/86/72/85/835867285.db2.gz XYECRCHCWOYUPQ-AWEZNQCLSA-N 1 1 336.436 0.935 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCC(=C)C ZINC001266465579 835867288 /nfs/dbraw/zinc/86/72/88/835867288.db2.gz XYECRCHCWOYUPQ-AWEZNQCLSA-N 1 1 336.436 0.935 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ncccc1NC(C)=O ZINC001266468807 835871192 /nfs/dbraw/zinc/87/11/92/835871192.db2.gz YICKEGHLULAKLO-OAHLLOKOSA-N 1 1 344.415 0.884 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ncccc1NC(C)=O ZINC001266468807 835871196 /nfs/dbraw/zinc/87/11/96/835871196.db2.gz YICKEGHLULAKLO-OAHLLOKOSA-N 1 1 344.415 0.884 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001266468567 835871430 /nfs/dbraw/zinc/87/14/30/835871430.db2.gz SLHPYEGYTBIIFI-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001266471170 835874738 /nfs/dbraw/zinc/87/47/38/835874738.db2.gz JUYVPGDEPBHRMX-HUUCEWRRSA-N 1 1 338.452 0.560 20 30 ECEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001266473359 835876404 /nfs/dbraw/zinc/87/64/04/835876404.db2.gz ZQHGIGHFOAIJMO-GOEBONIOSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cn[nH]c1 ZINC001266486934 835886038 /nfs/dbraw/zinc/88/60/38/835886038.db2.gz SIHDRECSTDRSCW-DZGCQCFKSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1cn[nH]c1 ZINC001266486934 835886045 /nfs/dbraw/zinc/88/60/45/835886045.db2.gz SIHDRECSTDRSCW-DZGCQCFKSA-N 1 1 331.420 0.061 20 30 ECEDMO C=CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266486767 835886503 /nfs/dbraw/zinc/88/65/03/835886503.db2.gz UEUVHTMGDWUVJF-OVYGPGRDSA-N 1 1 348.491 0.693 20 30 ECEDMO CCCC[C@@H](NC(N)=O)C(=O)NC[C@H]1CCC[N@H+]1CC#CCOC ZINC001266497548 835897689 /nfs/dbraw/zinc/89/76/89/835897689.db2.gz HWLLFHDTIBBLEC-HUUCEWRRSA-N 1 1 338.452 0.444 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001266521102 835935794 /nfs/dbraw/zinc/93/57/94/835935794.db2.gz ZUNHYGILSHWNHW-GJZGRUSLSA-N 1 1 345.447 0.186 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001266523610 835938643 /nfs/dbraw/zinc/93/86/43/835938643.db2.gz RBHLLULNIRQWGB-YHUYYLMFSA-N 1 1 332.448 0.891 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001266523610 835938649 /nfs/dbraw/zinc/93/86/49/835938649.db2.gz RBHLLULNIRQWGB-YHUYYLMFSA-N 1 1 332.448 0.891 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001266528824 835945612 /nfs/dbraw/zinc/94/56/12/835945612.db2.gz ZUYCHGGQLCSTIZ-HZPDHXFCSA-N 1 1 344.459 0.613 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)Cn3nccc3C)C2)C1=O ZINC001266537016 835955429 /nfs/dbraw/zinc/95/54/29/835955429.db2.gz CIKXOKWQKALEKM-HOTGVXAUSA-N 1 1 345.447 0.417 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001266537321 835955680 /nfs/dbraw/zinc/95/56/80/835955680.db2.gz JCBGUTYCWZXBKZ-LLVKDONJSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001266537321 835955685 /nfs/dbraw/zinc/95/56/85/835955685.db2.gz JCBGUTYCWZXBKZ-LLVKDONJSA-N 1 1 344.253 0.859 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(COC)on2)C1 ZINC001266537709 835956377 /nfs/dbraw/zinc/95/63/77/835956377.db2.gz QYSPZGZLRUUGOI-CHWSQXEVSA-N 1 1 348.403 0.011 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)c2ccco2)C1 ZINC001266544877 835966368 /nfs/dbraw/zinc/96/63/68/835966368.db2.gz KKNMXTRHDBUSEY-CABCVRRESA-N 1 1 331.416 0.961 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2cnn(CC)c2)C1 ZINC001266544749 835966532 /nfs/dbraw/zinc/96/65/32/835966532.db2.gz IFYVOPCEPAUNLK-HUUCEWRRSA-N 1 1 347.463 0.574 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001266546782 835968244 /nfs/dbraw/zinc/96/82/44/835968244.db2.gz XCCMHEAPAVGLEO-PBHICJAKSA-N 1 1 335.448 0.379 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001266551096 835975846 /nfs/dbraw/zinc/97/58/46/835975846.db2.gz LEUJMNJISKNRDW-JKSUJKDBSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001266551096 835975858 /nfs/dbraw/zinc/97/58/58/835975858.db2.gz LEUJMNJISKNRDW-JKSUJKDBSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCNC(=O)[C@@H](C)n2cncn2)C2CC2)C1=O ZINC001266588052 836019092 /nfs/dbraw/zinc/01/90/92/836019092.db2.gz ILJGKBXGNTVMFG-HIFRSBDPSA-N 1 1 346.435 0.207 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCNC(=O)[C@@H](C)n2cncn2)C2CC2)C1=O ZINC001266588052 836019104 /nfs/dbraw/zinc/01/91/04/836019104.db2.gz ILJGKBXGNTVMFG-HIFRSBDPSA-N 1 1 346.435 0.207 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1ccnnc1C)C1CC1 ZINC001266600021 836032960 /nfs/dbraw/zinc/03/29/60/836032960.db2.gz GNVUDZREUCNECF-CYBMUJFWSA-N 1 1 331.420 0.670 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1ccnnc1C)C1CC1 ZINC001266600021 836032978 /nfs/dbraw/zinc/03/29/78/836032978.db2.gz GNVUDZREUCNECF-CYBMUJFWSA-N 1 1 331.420 0.670 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)Cc1cccc(F)c1)C1CC1 ZINC001266619417 836056721 /nfs/dbraw/zinc/05/67/21/836056721.db2.gz LZMYCKNFHIJYHZ-UHFFFAOYSA-N 1 1 331.391 0.698 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)Cc1cccc(F)c1)C1CC1 ZINC001266619417 836056732 /nfs/dbraw/zinc/05/67/32/836056732.db2.gz LZMYCKNFHIJYHZ-UHFFFAOYSA-N 1 1 331.391 0.698 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1csc(C2CC2)n1)C1CC1 ZINC001266622101 836058720 /nfs/dbraw/zinc/05/87/20/836058720.db2.gz PWSGQEUGWVCKIH-UHFFFAOYSA-N 1 1 347.444 0.854 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1csc(C2CC2)n1)C1CC1 ZINC001266622101 836058733 /nfs/dbraw/zinc/05/87/33/836058733.db2.gz PWSGQEUGWVCKIH-UHFFFAOYSA-N 1 1 347.444 0.854 20 30 ECEDMO CC(F)(F)CC(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266658241 836093569 /nfs/dbraw/zinc/09/35/69/836093569.db2.gz ASHCWOVRGVEBDG-QWHCGFSZSA-N 1 1 342.390 0.984 20 30 ECEDMO CC(F)(F)CC(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266658241 836093574 /nfs/dbraw/zinc/09/35/74/836093574.db2.gz ASHCWOVRGVEBDG-QWHCGFSZSA-N 1 1 342.390 0.984 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccnn2C)C1 ZINC001266658752 836094566 /nfs/dbraw/zinc/09/45/66/836094566.db2.gz IFFMKZJBGHHUNM-HOTGVXAUSA-N 1 1 330.432 0.996 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001266683415 836136357 /nfs/dbraw/zinc/13/63/57/836136357.db2.gz OFMRWGMQUAWATR-XJFOESAGSA-N 1 1 338.408 0.313 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CC[NH2+]Cc1nc(-c2ccco2)no1 ZINC001266696581 836159086 /nfs/dbraw/zinc/15/90/86/836159086.db2.gz MNEKEXCATZICGD-LBPRGKRZSA-N 1 1 332.360 0.916 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)c2cnn(CCOC)c2)CC1 ZINC001098550376 836161540 /nfs/dbraw/zinc/16/15/40/836161540.db2.gz KPVJALXSTZBCET-UHFFFAOYSA-N 1 1 348.447 0.452 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC2(CNC(=O)C#CC3CC3)CC2)no1 ZINC001299156610 836195394 /nfs/dbraw/zinc/19/53/94/836195394.db2.gz ZKTRONSKQWIVIW-UHFFFAOYSA-N 1 1 330.388 0.528 20 30 ECEDMO N#CCSCC(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001266739789 836223145 /nfs/dbraw/zinc/22/31/45/836223145.db2.gz DMRHRXGINKEGOJ-KGLIPLIRSA-N 1 1 348.476 0.850 20 30 ECEDMO CCn1ccc(CC(=O)NC[C@H]2CCC[N@@H+](CC#CCOC)C2)n1 ZINC001266750210 836240470 /nfs/dbraw/zinc/24/04/70/836240470.db2.gz RRQYPUAVVJYXDF-MRXNPFEDSA-N 1 1 332.448 0.924 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)CCc2nccn2C)C1 ZINC001266755564 836250692 /nfs/dbraw/zinc/25/06/92/836250692.db2.gz RFGHNNLJNILEAW-INIZCTEOSA-N 1 1 332.448 0.831 20 30 ECEDMO Cc1ccoc1CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266761267 836262682 /nfs/dbraw/zinc/26/26/82/836262682.db2.gz WXGALAIVMZAHAU-AWEZNQCLSA-N 1 1 332.404 0.599 20 30 ECEDMO Cc1ccoc1CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266761267 836262695 /nfs/dbraw/zinc/26/26/95/836262695.db2.gz WXGALAIVMZAHAU-AWEZNQCLSA-N 1 1 332.404 0.599 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001266793932 836312604 /nfs/dbraw/zinc/31/26/04/836312604.db2.gz VFBWOADIWHMPTL-ARFHVFGLSA-N 1 1 330.432 0.991 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCCO1 ZINC001266833055 836357036 /nfs/dbraw/zinc/35/70/36/836357036.db2.gz PBXMJPCMQDWWFV-HZPDHXFCSA-N 1 1 335.448 0.666 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCCO1 ZINC001266833055 836357041 /nfs/dbraw/zinc/35/70/41/836357041.db2.gz PBXMJPCMQDWWFV-HZPDHXFCSA-N 1 1 335.448 0.666 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CCNC(=O)C1CC1 ZINC001266842438 836368503 /nfs/dbraw/zinc/36/85/03/836368503.db2.gz OAFYBULUSYXJCJ-GOEBONIOSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CCNC(=O)C1CC1 ZINC001266842438 836368511 /nfs/dbraw/zinc/36/85/11/836368511.db2.gz OAFYBULUSYXJCJ-GOEBONIOSA-N 1 1 335.448 0.522 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC001266842663 836368617 /nfs/dbraw/zinc/36/86/17/836368617.db2.gz RWTGBXRIOVYBOB-AWEZNQCLSA-N 1 1 348.447 0.558 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCS(N)(=O)=O)C2 ZINC001279230062 836383059 /nfs/dbraw/zinc/38/30/59/836383059.db2.gz NRJPPPINXGYNGB-BTTYYORXSA-N 1 1 329.466 0.600 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C[C@H](O)COC)nn1 ZINC001266855293 836389360 /nfs/dbraw/zinc/38/93/60/836389360.db2.gz AISVJHGJSRLRIM-KBPBESRZSA-N 1 1 337.424 0.056 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001266891683 836441833 /nfs/dbraw/zinc/44/18/33/836441833.db2.gz QNWMXVGCHCWFQV-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001266892274 836442589 /nfs/dbraw/zinc/44/25/89/836442589.db2.gz UEDRBNPCBPEXGP-QWHCGFSZSA-N 1 1 334.424 0.170 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266897350 836448991 /nfs/dbraw/zinc/44/89/91/836448991.db2.gz NCZLCBRZMMJNTQ-ZIAGYGMSSA-N 1 1 336.436 0.673 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001266898583 836450772 /nfs/dbraw/zinc/45/07/72/836450772.db2.gz XDKPDSOGBZUOII-UONOGXRCSA-N 1 1 346.431 0.594 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)COCc2nc(CC)no2)C1 ZINC001266898692 836450821 /nfs/dbraw/zinc/45/08/21/836450821.db2.gz XYZDYDWQKCKYED-KGLIPLIRSA-N 1 1 334.420 0.999 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001266983406 836562571 /nfs/dbraw/zinc/56/25/71/836562571.db2.gz NVSOHIZDTWGNLY-LLVKDONJSA-N 1 1 331.380 0.078 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001267002098 836593913 /nfs/dbraw/zinc/59/39/13/836593913.db2.gz YYCRDVZLAVZNIF-KBPBESRZSA-N 1 1 346.435 0.024 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CS(=O)(=O)CCOC ZINC001279567281 836734183 /nfs/dbraw/zinc/73/41/83/836734183.db2.gz XMKQGIZTOJQAAJ-LSDHHAIUSA-N 1 1 344.477 0.689 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)ccn2C)C1 ZINC001267105233 836783973 /nfs/dbraw/zinc/78/39/73/836783973.db2.gz ITTVIBWNERDRKN-OAHLLOKOSA-N 1 1 330.432 0.619 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2c(C)ccn2C)C1 ZINC001267105233 836783979 /nfs/dbraw/zinc/78/39/79/836783979.db2.gz ITTVIBWNERDRKN-OAHLLOKOSA-N 1 1 330.432 0.619 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]([N@@H+](C)CCNC(=O)C2CC2)C1 ZINC001267106629 836786572 /nfs/dbraw/zinc/78/65/72/836786572.db2.gz SLPKPFAYODIHKR-MAUKXSAKSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)ncn2C)C1 ZINC001267107415 836788603 /nfs/dbraw/zinc/78/86/03/836788603.db2.gz GIVSZMBVLCNRAO-LSDHHAIUSA-N 1 1 347.463 0.956 20 30 ECEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC001267112669 836801599 /nfs/dbraw/zinc/80/15/99/836801599.db2.gz VDKIZVGZTMPRKZ-ZBFHGGJFSA-N 1 1 326.462 0.900 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2csc(C)n2)C1 ZINC001267115322 836809304 /nfs/dbraw/zinc/80/93/04/836809304.db2.gz TZONVLRMQRYKBW-HNNXBMFYSA-N 1 1 348.472 0.666 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2csc(C)n2)C1 ZINC001267115322 836809312 /nfs/dbraw/zinc/80/93/12/836809312.db2.gz TZONVLRMQRYKBW-HNNXBMFYSA-N 1 1 348.472 0.666 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCOCC1 ZINC001267165396 836887152 /nfs/dbraw/zinc/88/71/52/836887152.db2.gz VEOJIQJDLALPKB-IAGOWNOFSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001267179942 836926520 /nfs/dbraw/zinc/92/65/20/836926520.db2.gz UPTASZQCAJBKJD-OAHLLOKOSA-N 1 1 333.436 0.274 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)SC ZINC001267187560 836943515 /nfs/dbraw/zinc/94/35/15/836943515.db2.gz YJMFDTFAPYAQHK-GHMZBOCLSA-N 1 1 330.454 0.186 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)SC ZINC001267187560 836943528 /nfs/dbraw/zinc/94/35/28/836943528.db2.gz YJMFDTFAPYAQHK-GHMZBOCLSA-N 1 1 330.454 0.186 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC001267193420 836957468 /nfs/dbraw/zinc/95/74/68/836957468.db2.gz PMNLVYUJGCYPTP-CXAGYDPISA-N 1 1 325.453 0.761 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC001267193420 836957477 /nfs/dbraw/zinc/95/74/77/836957477.db2.gz PMNLVYUJGCYPTP-CXAGYDPISA-N 1 1 325.453 0.761 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2nn(C)cc2Cl)C1=O ZINC001267198355 836966144 /nfs/dbraw/zinc/96/61/44/836966144.db2.gz MWLVHCYFSHVZLO-LBPRGKRZSA-N 1 1 339.827 0.522 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2nn(C)cc2Cl)C1=O ZINC001267198355 836966156 /nfs/dbraw/zinc/96/61/56/836966156.db2.gz MWLVHCYFSHVZLO-LBPRGKRZSA-N 1 1 339.827 0.522 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnc2n[nH]cc2c1 ZINC001267203749 836981654 /nfs/dbraw/zinc/98/16/54/836981654.db2.gz JNZQAPVEULOGOA-LLVKDONJSA-N 1 1 330.392 0.310 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnc2n[nH]cc2c1 ZINC001267203749 836981660 /nfs/dbraw/zinc/98/16/60/836981660.db2.gz JNZQAPVEULOGOA-LLVKDONJSA-N 1 1 330.392 0.310 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001267213185 837002013 /nfs/dbraw/zinc/00/20/13/837002013.db2.gz CHKVCDMFICLJSY-UONOGXRCSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001267213185 837002027 /nfs/dbraw/zinc/00/20/27/837002027.db2.gz CHKVCDMFICLJSY-UONOGXRCSA-N 1 1 338.452 0.873 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001267241252 837049613 /nfs/dbraw/zinc/04/96/13/837049613.db2.gz PZEBZZKXUKJRLE-OAHLLOKOSA-N 1 1 343.431 0.377 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001267241252 837049620 /nfs/dbraw/zinc/04/96/20/837049620.db2.gz PZEBZZKXUKJRLE-OAHLLOKOSA-N 1 1 343.431 0.377 20 30 ECEDMO Cc1cc(C(=O)NCCC[N@@H+](CC(=O)NCC#N)C(C)C)ns1 ZINC001267247691 837064466 /nfs/dbraw/zinc/06/44/66/837064466.db2.gz CQBWVTWQRXEDCK-UHFFFAOYSA-N 1 1 337.449 0.922 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cc(CC)nn1C ZINC001267253704 837073774 /nfs/dbraw/zinc/07/37/74/837073774.db2.gz QPSBLQKCQBGBAL-ZDUSSCGKSA-N 1 1 333.436 0.172 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cc(CC)nn1C ZINC001267253704 837073784 /nfs/dbraw/zinc/07/37/84/837073784.db2.gz QPSBLQKCQBGBAL-ZDUSSCGKSA-N 1 1 333.436 0.172 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)C1(CC)CCOCC1 ZINC001267253691 837074135 /nfs/dbraw/zinc/07/41/35/837074135.db2.gz QKLVYVSLYQMTJL-HNNXBMFYSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)C1(CC)CCOCC1 ZINC001267253691 837074147 /nfs/dbraw/zinc/07/41/47/837074147.db2.gz QKLVYVSLYQMTJL-HNNXBMFYSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CCC ZINC001267267107 837105947 /nfs/dbraw/zinc/10/59/47/837105947.db2.gz LJASZFWOYZRAFR-LSDHHAIUSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CCC ZINC001267267107 837105959 /nfs/dbraw/zinc/10/59/59/837105959.db2.gz LJASZFWOYZRAFR-LSDHHAIUSA-N 1 1 345.447 0.625 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1nccn1C ZINC001267275469 837118940 /nfs/dbraw/zinc/11/89/40/837118940.db2.gz GLEWRBNHVQKJEN-CABCVRRESA-N 1 1 347.463 0.624 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001267295782 837151479 /nfs/dbraw/zinc/15/14/79/837151479.db2.gz ANDLLZZTVJXAIP-GFCCVEGCSA-N 1 1 340.387 0.206 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001267295782 837151483 /nfs/dbraw/zinc/15/14/83/837151483.db2.gz ANDLLZZTVJXAIP-GFCCVEGCSA-N 1 1 340.387 0.206 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267296965 837156705 /nfs/dbraw/zinc/15/67/05/837156705.db2.gz YOWZNSAYIALQPR-ZIAGYGMSSA-N 1 1 347.463 0.643 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001267298235 837160027 /nfs/dbraw/zinc/16/00/27/837160027.db2.gz LOTZFFHIGMRZAJ-YOEHRIQHSA-N 1 1 335.452 0.982 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001267298235 837160032 /nfs/dbraw/zinc/16/00/32/837160032.db2.gz LOTZFFHIGMRZAJ-YOEHRIQHSA-N 1 1 335.452 0.982 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001267298497 837160359 /nfs/dbraw/zinc/16/03/59/837160359.db2.gz OFNBZJOZHUPOPQ-MAUKXSAKSA-N 1 1 349.475 0.769 20 30 ECEDMO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001267300674 837163969 /nfs/dbraw/zinc/16/39/69/837163969.db2.gz RKHAGJTVODXEGQ-IRXDYDNUSA-N 1 1 349.475 0.771 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ocnc2C(F)F)C1 ZINC001267303683 837170934 /nfs/dbraw/zinc/17/09/34/837170934.db2.gz QQNSMDLCYFPVDO-VIFPVBQESA-N 1 1 341.318 0.304 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ocnc2C(F)F)C1 ZINC001267303683 837170942 /nfs/dbraw/zinc/17/09/42/837170942.db2.gz QQNSMDLCYFPVDO-VIFPVBQESA-N 1 1 341.318 0.304 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001267304538 837172985 /nfs/dbraw/zinc/17/29/85/837172985.db2.gz JGZMQPJODDXQLC-CABCVRRESA-N 1 1 337.464 0.932 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1cnc(Cl)n1C ZINC001267315353 837191025 /nfs/dbraw/zinc/19/10/25/837191025.db2.gz VMHFRPODAIFDTP-UHFFFAOYSA-N 1 1 339.827 0.265 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1cnc(Cl)n1C ZINC001267315353 837191029 /nfs/dbraw/zinc/19/10/29/837191029.db2.gz VMHFRPODAIFDTP-UHFFFAOYSA-N 1 1 339.827 0.265 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1cnc2cc[nH]c2c1)CC(=O)NCC#N ZINC001267315040 837191077 /nfs/dbraw/zinc/19/10/77/837191077.db2.gz FMGJRPWPTTWLEW-UHFFFAOYSA-N 1 1 342.403 0.644 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1cnc2cc[nH]c2c1)CC(=O)NCC#N ZINC001267315040 837191082 /nfs/dbraw/zinc/19/10/82/837191082.db2.gz FMGJRPWPTTWLEW-UHFFFAOYSA-N 1 1 342.403 0.644 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1cncc2[nH]ccc21)C1CC1 ZINC001267328426 837208491 /nfs/dbraw/zinc/20/84/91/837208491.db2.gz VFQFGDBHUQWSJU-UHFFFAOYSA-N 1 1 340.387 0.397 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1cncc2[nH]ccc21)C1CC1 ZINC001267328426 837208506 /nfs/dbraw/zinc/20/85/06/837208506.db2.gz VFQFGDBHUQWSJU-UHFFFAOYSA-N 1 1 340.387 0.397 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cccn2)C1 ZINC001267577755 837835319 /nfs/dbraw/zinc/83/53/19/837835319.db2.gz DRKMBUYVJXDYSK-HOTGVXAUSA-N 1 1 347.463 0.744 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(=O)NCC)C1 ZINC001267581094 837844641 /nfs/dbraw/zinc/84/46/41/837844641.db2.gz IVXJKIGGGFQNDR-CQSZACIVSA-N 1 1 336.436 0.416 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001267582765 837849825 /nfs/dbraw/zinc/84/98/25/837849825.db2.gz KNRKQXNPAFZSHT-STQMWFEESA-N 1 1 341.402 0.950 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001267584764 837858358 /nfs/dbraw/zinc/85/83/58/837858358.db2.gz HYVQKGDIGLIDJS-RRFJBIMHSA-N 1 1 343.431 0.043 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001267584764 837858370 /nfs/dbraw/zinc/85/83/70/837858370.db2.gz HYVQKGDIGLIDJS-RRFJBIMHSA-N 1 1 343.431 0.043 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001267584764 837858379 /nfs/dbraw/zinc/85/83/79/837858379.db2.gz HYVQKGDIGLIDJS-RRFJBIMHSA-N 1 1 343.431 0.043 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001267586411 837864052 /nfs/dbraw/zinc/86/40/52/837864052.db2.gz RAJFJGXXRVYIQD-HNNXBMFYSA-N 1 1 343.427 0.968 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)c2cc(C3CC3)no2)C1 ZINC001267590025 837877521 /nfs/dbraw/zinc/87/75/21/837877521.db2.gz OSLMZCXUSWMIAP-GFCCVEGCSA-N 1 1 345.403 0.586 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2c[nH]c(C)n2)CC1 ZINC001267597928 837905370 /nfs/dbraw/zinc/90/53/70/837905370.db2.gz MYGJJWLRHDFUOK-UHFFFAOYSA-N 1 1 333.436 0.804 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001267597928 837905376 /nfs/dbraw/zinc/90/53/76/837905376.db2.gz MYGJJWLRHDFUOK-UHFFFAOYSA-N 1 1 333.436 0.804 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001267597928 837905382 /nfs/dbraw/zinc/90/53/82/837905382.db2.gz MYGJJWLRHDFUOK-UHFFFAOYSA-N 1 1 333.436 0.804 20 30 ECEDMO C#CCC[N@H+](C)CC1CCN(C(=O)CNS(=O)(=O)CC)CC1 ZINC001267599412 837910895 /nfs/dbraw/zinc/91/08/95/837910895.db2.gz OGOPVOONVFPCCG-UHFFFAOYSA-N 1 1 329.466 0.119 20 30 ECEDMO NC(=O)NCCC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001267622139 838062180 /nfs/dbraw/zinc/06/21/80/838062180.db2.gz NOBJVCMRHGRLMX-MRXNPFEDSA-N 1 1 346.406 0.816 20 30 ECEDMO NC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001267622139 838062191 /nfs/dbraw/zinc/06/21/91/838062191.db2.gz NOBJVCMRHGRLMX-MRXNPFEDSA-N 1 1 346.406 0.816 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CCC[N@@H+](CCN(C)S(C)(=O)=O)C1 ZINC001267624726 838070729 /nfs/dbraw/zinc/07/07/29/838070729.db2.gz MHWMXTIJZUFPHI-AWEZNQCLSA-N 1 1 329.466 0.262 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+](CCN(C)S(C)(=O)=O)C1 ZINC001267624726 838070745 /nfs/dbraw/zinc/07/07/45/838070745.db2.gz MHWMXTIJZUFPHI-AWEZNQCLSA-N 1 1 329.466 0.262 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625310 838074220 /nfs/dbraw/zinc/07/42/20/838074220.db2.gz HTEVVTRLYQMIHY-RYUDHWBXSA-N 1 1 337.453 0.308 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625310 838074232 /nfs/dbraw/zinc/07/42/32/838074232.db2.gz HTEVVTRLYQMIHY-RYUDHWBXSA-N 1 1 337.453 0.308 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C1 ZINC001267652694 838154328 /nfs/dbraw/zinc/15/43/28/838154328.db2.gz CEGVBBRDOQVWHJ-INIZCTEOSA-N 1 1 327.428 0.815 20 30 ECEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001267653370 838157044 /nfs/dbraw/zinc/15/70/44/838157044.db2.gz QIGYYSMOCRHFLE-KBPBESRZSA-N 1 1 348.451 0.512 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)COc2cc(C)on2)C1 ZINC001267657686 838172307 /nfs/dbraw/zinc/17/23/07/838172307.db2.gz CDZISDBUAMHKIX-HNNXBMFYSA-N 1 1 335.404 0.792 20 30 ECEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267658299 838173627 /nfs/dbraw/zinc/17/36/27/838173627.db2.gz NIWWFQHJYKHFAV-KGLIPLIRSA-N 1 1 333.436 0.903 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC001267659227 838179656 /nfs/dbraw/zinc/17/96/56/838179656.db2.gz XLGKBICGBOSSAL-ZIAGYGMSSA-N 1 1 345.447 0.504 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001267665895 838191544 /nfs/dbraw/zinc/19/15/44/838191544.db2.gz NHFWHJMTVRRJCI-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001267682563 838242927 /nfs/dbraw/zinc/24/29/27/838242927.db2.gz GILYKTVVJCUBLU-LLVKDONJSA-N 1 1 341.437 0.027 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001267684996 838248459 /nfs/dbraw/zinc/24/84/59/838248459.db2.gz WEPFISVPMMQQKJ-LSDHHAIUSA-N 1 1 329.448 0.724 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001267686971 838250846 /nfs/dbraw/zinc/25/08/46/838250846.db2.gz XKNHVPFZWYIPBO-GFCCVEGCSA-N 1 1 347.419 0.151 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C(C)C)no2)C1 ZINC001267690459 838260924 /nfs/dbraw/zinc/26/09/24/838260924.db2.gz OELLNQSEHSRRDP-CQSZACIVSA-N 1 1 346.431 0.941 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H](C)c2cccnc2)C1 ZINC001267698106 838288827 /nfs/dbraw/zinc/28/88/27/838288827.db2.gz VZPJVTUOMVHUBY-KGLIPLIRSA-N 1 1 330.432 0.924 20 30 ECEDMO C=CCC1(C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)CCOCC1 ZINC001267696916 838289244 /nfs/dbraw/zinc/28/92/44/838289244.db2.gz BDZNYUGWFRPLCX-OAHLLOKOSA-N 1 1 335.448 0.686 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2cn(CC)cn2)C1 ZINC001267702398 838299667 /nfs/dbraw/zinc/29/96/67/838299667.db2.gz GKLTXVNPRKKRGJ-GJZGRUSLSA-N 1 1 347.463 0.988 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001267741640 838443258 /nfs/dbraw/zinc/44/32/58/838443258.db2.gz GZHLEBTWIIIAHZ-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001267741640 838443260 /nfs/dbraw/zinc/44/32/60/838443260.db2.gz GZHLEBTWIIIAHZ-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001267757911 838481920 /nfs/dbraw/zinc/48/19/20/838481920.db2.gz FRTHEOAVCLYLEJ-LSDHHAIUSA-N 1 1 333.436 0.415 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001267757911 838481924 /nfs/dbraw/zinc/48/19/24/838481924.db2.gz FRTHEOAVCLYLEJ-LSDHHAIUSA-N 1 1 333.436 0.415 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001267758326 838484444 /nfs/dbraw/zinc/48/44/44/838484444.db2.gz ATHBFXUZORVKSE-OLZOCXBDSA-N 1 1 332.404 0.624 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001267758326 838484447 /nfs/dbraw/zinc/48/44/47/838484447.db2.gz ATHBFXUZORVKSE-OLZOCXBDSA-N 1 1 332.404 0.624 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC001267761884 838491112 /nfs/dbraw/zinc/49/11/12/838491112.db2.gz LOBXPAYZDWDSQV-HNNXBMFYSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC001267761884 838491116 /nfs/dbraw/zinc/49/11/16/838491116.db2.gz LOBXPAYZDWDSQV-HNNXBMFYSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N(C)C(=O)CCc3ccon3)C2)C1=O ZINC001267767468 838505002 /nfs/dbraw/zinc/50/50/02/838505002.db2.gz JQJIIKDAHGDDQA-CVEARBPZSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](N(C)C(=O)CCc3ccon3)C2)C1=O ZINC001267767468 838505005 /nfs/dbraw/zinc/50/50/05/838505005.db2.gz JQJIIKDAHGDDQA-CVEARBPZSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001267768364 838507069 /nfs/dbraw/zinc/50/70/69/838507069.db2.gz URAWPXVDDDIMIM-OAHLLOKOSA-N 1 1 333.436 0.106 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001267768364 838507070 /nfs/dbraw/zinc/50/70/70/838507070.db2.gz URAWPXVDDDIMIM-OAHLLOKOSA-N 1 1 333.436 0.106 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn3nccc3nc2C)C1 ZINC001267774108 838536323 /nfs/dbraw/zinc/53/63/23/838536323.db2.gz FCELVWGFSHKPRX-HNNXBMFYSA-N 1 1 341.415 0.834 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cn3nccc3nc2C)C1 ZINC001267774108 838536328 /nfs/dbraw/zinc/53/63/28/838536328.db2.gz FCELVWGFSHKPRX-HNNXBMFYSA-N 1 1 341.415 0.834 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267782692 838558739 /nfs/dbraw/zinc/55/87/39/838558739.db2.gz BGHDRMAVAVGXLL-GOEBONIOSA-N 1 1 346.493 0.671 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267782692 838558745 /nfs/dbraw/zinc/55/87/45/838558745.db2.gz BGHDRMAVAVGXLL-GOEBONIOSA-N 1 1 346.493 0.671 20 30 ECEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267788011 838565356 /nfs/dbraw/zinc/56/53/56/838565356.db2.gz OOMXIDFIPPGWPL-CQSZACIVSA-N 1 1 334.420 0.838 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001267791660 838572334 /nfs/dbraw/zinc/57/23/34/838572334.db2.gz WBKZKSCMXITYTL-WFASDCNBSA-N 1 1 346.431 0.966 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001267791660 838572341 /nfs/dbraw/zinc/57/23/41/838572341.db2.gz WBKZKSCMXITYTL-WFASDCNBSA-N 1 1 346.431 0.966 20 30 ECEDMO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CCCS(C)(=O)=O)CC2 ZINC001267973814 838905846 /nfs/dbraw/zinc/90/58/46/838905846.db2.gz BAYSMGHFNZJUHC-UHFFFAOYSA-N 1 1 326.462 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)[C@@H](C)OC)[C@H]2C1 ZINC000975776404 839007595 /nfs/dbraw/zinc/00/75/95/839007595.db2.gz WOIGYNNNTGLZLN-QZWWFDLISA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)[C@@H](C)OC)[C@H]2C1 ZINC000975776404 839007605 /nfs/dbraw/zinc/00/76/05/839007605.db2.gz WOIGYNNNTGLZLN-QZWWFDLISA-N 1 1 347.459 0.568 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@H](CNC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001268031048 839056356 /nfs/dbraw/zinc/05/63/56/839056356.db2.gz YTQRKBUMIKPLLQ-MRXNPFEDSA-N 1 1 332.448 0.903 20 30 ECEDMO C#CCC[N@H+]1CCO[C@H](CNC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001268031048 839056369 /nfs/dbraw/zinc/05/63/69/839056369.db2.gz YTQRKBUMIKPLLQ-MRXNPFEDSA-N 1 1 332.448 0.903 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)N1CCC2(C[NH+](CC(=O)NC)C2)CC1 ZINC001268044627 839203746 /nfs/dbraw/zinc/20/37/46/839203746.db2.gz GUXGCTLLMJCSBD-KRWDZBQOSA-N 1 1 337.464 0.886 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000980999076 839301411 /nfs/dbraw/zinc/30/14/11/839301411.db2.gz DAPUCNIDVSUVMV-UHFFFAOYSA-N 1 1 342.443 0.925 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000980999076 839301422 /nfs/dbraw/zinc/30/14/22/839301422.db2.gz DAPUCNIDVSUVMV-UHFFFAOYSA-N 1 1 342.443 0.925 20 30 ECEDMO CC(C)[N@@H+](C)CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000101953524 219175852 /nfs/dbraw/zinc/17/58/52/219175852.db2.gz HBJCSJRUIKIOQT-UHFFFAOYSA-N 1 1 337.445 0.929 20 30 ECEDMO N#C[C@@H]1C[N@@H+](CCCC(=O)NC(N)=O)C[C@@]12c1ccccc1NC2=O ZINC000374353346 283061161 /nfs/dbraw/zinc/06/11/61/283061161.db2.gz RLPYZDWFCFBOOD-DIFFPNOSSA-N 1 1 341.371 0.307 20 30 ECEDMO N#C[C@@H]1C[N@H+](CCCC(=O)NC(N)=O)C[C@@]12c1ccccc1NC2=O ZINC000374353346 283061162 /nfs/dbraw/zinc/06/11/62/283061162.db2.gz RLPYZDWFCFBOOD-DIFFPNOSSA-N 1 1 341.371 0.307 20 30 ECEDMO CN1C[C@H](NC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1=O ZINC000330154907 283224244 /nfs/dbraw/zinc/22/42/44/283224244.db2.gz YAERXVCFCSHDJK-HUUCEWRRSA-N 1 1 337.468 0.233 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](C)C(=O)NC)C3)C2)c1 ZINC001041661210 781942830 /nfs/dbraw/zinc/94/28/30/781942830.db2.gz UTQGUHDSZNLGIN-AUUYWEPGSA-N 1 1 340.427 0.735 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000412074512 284145922 /nfs/dbraw/zinc/14/59/22/284145922.db2.gz LTIWFBOVHBOCOV-NEPJUHHUSA-N 1 1 325.434 0.775 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000412074512 284145923 /nfs/dbraw/zinc/14/59/23/284145923.db2.gz LTIWFBOVHBOCOV-NEPJUHHUSA-N 1 1 325.434 0.775 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000329558617 299468785 /nfs/dbraw/zinc/46/87/85/299468785.db2.gz QTZLHHKVDNVGBV-LZWOXQAQSA-N 1 1 327.425 0.237 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H](C)C(C)(C)O)CC2)o1 ZINC000451375224 211380904 /nfs/dbraw/zinc/38/09/04/211380904.db2.gz VHSZBSYDCFNOFF-GFCCVEGCSA-N 1 1 349.435 0.595 20 30 ECEDMO COCC(COC)[NH+]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000411866775 208154526 /nfs/dbraw/zinc/15/45/26/208154526.db2.gz WBBUTIUBFFRENG-KRWDZBQOSA-N 1 1 346.431 0.364 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC[N@H+](C)C1 ZINC000413914372 208377291 /nfs/dbraw/zinc/37/72/91/208377291.db2.gz GOIZHWAJFXSBOL-HIFRSBDPSA-N 1 1 345.399 0.889 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000413914372 208377297 /nfs/dbraw/zinc/37/72/97/208377297.db2.gz GOIZHWAJFXSBOL-HIFRSBDPSA-N 1 1 345.399 0.889 20 30 ECEDMO N#Cc1ccnc(N2CCN(C(=O)c3csc(C[NH3+])n3)CC2)c1 ZINC000428782513 210283836 /nfs/dbraw/zinc/28/38/36/210283836.db2.gz QDIRLXCJFOFCIN-UHFFFAOYSA-N 1 1 328.401 0.831 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](CC)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000490915286 254890409 /nfs/dbraw/zinc/89/04/09/254890409.db2.gz MUFJZUKIUSLWII-CQSZACIVSA-N 1 1 329.466 0.550 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000491735162 254930695 /nfs/dbraw/zinc/93/06/95/254930695.db2.gz SRVZKNJNAMOYHI-SFHVURJKSA-N 1 1 329.444 0.704 20 30 ECEDMO C=CC[N@@H+](CCOC)[C@H](C)C(=O)N1CCN(C(=O)OCC)CC1 ZINC000495951401 255058074 /nfs/dbraw/zinc/05/80/74/255058074.db2.gz IUQOBKLJSWMDEA-CQSZACIVSA-N 1 1 327.425 0.810 20 30 ECEDMO C=CC[N@H+](CCOC)[C@H](C)C(=O)N1CCN(C(=O)OCC)CC1 ZINC000495951401 255058075 /nfs/dbraw/zinc/05/80/75/255058075.db2.gz IUQOBKLJSWMDEA-CQSZACIVSA-N 1 1 327.425 0.810 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1=O ZINC000496526894 255107894 /nfs/dbraw/zinc/10/78/94/255107894.db2.gz DVOCDVOOEVHJCJ-UONOGXRCSA-N 1 1 341.452 0.933 20 30 ECEDMO COCC[NH+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000192599538 165043701 /nfs/dbraw/zinc/04/37/01/165043701.db2.gz JLEWSQHKWRCJMW-QGZVFWFLSA-N 1 1 328.416 0.928 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C#N)nc2)CC1 ZINC000115027275 263145719 /nfs/dbraw/zinc/14/57/19/263145719.db2.gz JXWDWJZNMVNHHP-UHFFFAOYSA-N 1 1 329.404 0.674 20 30 ECEDMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000177524510 263153803 /nfs/dbraw/zinc/15/38/03/263153803.db2.gz BTLCMMLJLBGARQ-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](NC(N)=O)C3)C2=O)cc1 ZINC000272383927 263345483 /nfs/dbraw/zinc/34/54/83/263345483.db2.gz CCHIESJITTXNJK-DZGCQCFKSA-N 1 1 327.388 0.796 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](NC(N)=O)C3)C2=O)cc1 ZINC000272383927 263345485 /nfs/dbraw/zinc/34/54/85/263345485.db2.gz CCHIESJITTXNJK-DZGCQCFKSA-N 1 1 327.388 0.796 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285089269 264277859 /nfs/dbraw/zinc/27/78/59/264277859.db2.gz PMYIFUIWFIQDHW-GJZGRUSLSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285089269 264277860 /nfs/dbraw/zinc/27/78/60/264277860.db2.gz PMYIFUIWFIQDHW-GJZGRUSLSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1C#N ZINC000285101185 264278775 /nfs/dbraw/zinc/27/87/75/264278775.db2.gz QBFGGAOUSIESNM-JKSUJKDBSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1C#N ZINC000285101185 264278777 /nfs/dbraw/zinc/27/87/77/264278777.db2.gz QBFGGAOUSIESNM-JKSUJKDBSA-N 1 1 335.429 0.960 20 30 ECEDMO C[NH+](C)CCOCCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000347150919 270006703 /nfs/dbraw/zinc/00/67/03/270006703.db2.gz CSDPNQWIWNLOQX-UHFFFAOYSA-N 1 1 333.360 0.693 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)C1 ZINC000376265282 270007699 /nfs/dbraw/zinc/00/76/99/270007699.db2.gz KYVBITUKORJDCE-CYBMUJFWSA-N 1 1 338.433 0.552 20 30 ECEDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000533545297 270008361 /nfs/dbraw/zinc/00/83/61/270008361.db2.gz GLTAALREOJBBJA-CQSZACIVSA-N 1 1 336.417 0.510 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1 ZINC000373458204 266144752 /nfs/dbraw/zinc/14/47/52/266144752.db2.gz HLDAXTWTXBHEKO-ZDUSSCGKSA-N 1 1 331.424 0.981 20 30 ECEDMO CCNC(=O)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C ZINC000293160626 266169044 /nfs/dbraw/zinc/16/90/44/266169044.db2.gz FMFYAVNOKLXZQX-AWEZNQCLSA-N 1 1 338.433 0.477 20 30 ECEDMO Cc1c(C#N)cccc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000338221262 267276176 /nfs/dbraw/zinc/27/61/76/267276176.db2.gz RFCBJFGQTXSOFK-UHFFFAOYSA-N 1 1 344.459 0.987 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000528842270 267336633 /nfs/dbraw/zinc/33/66/33/267336633.db2.gz CDNCJJFZHUVGMV-MRXNPFEDSA-N 1 1 341.415 0.261 20 30 ECEDMO Cn1c(NCCc2cn3c([nH+]2)CCCC3)c(C#N)c(=O)n(C)c1=O ZINC000301079467 267767272 /nfs/dbraw/zinc/76/72/72/267767272.db2.gz PHLXXTVZALQULE-UHFFFAOYSA-N 1 1 328.376 0.143 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000368974541 268068573 /nfs/dbraw/zinc/06/85/73/268068573.db2.gz NYXSIGHMOJJNFV-YQQAZPJKSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000368974541 268068574 /nfs/dbraw/zinc/06/85/74/268068574.db2.gz NYXSIGHMOJJNFV-YQQAZPJKSA-N 1 1 326.400 0.760 20 30 ECEDMO Cn1nc2c(cc1=O)C[N@H+](C[C@@H](O)COc1ccccc1C#N)CC2 ZINC000528399275 268130970 /nfs/dbraw/zinc/13/09/70/268130970.db2.gz YPMOWWWEYMASHP-OAHLLOKOSA-N 1 1 340.383 0.450 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000367176072 268263700 /nfs/dbraw/zinc/26/37/00/268263700.db2.gz GCPWAJLOLJOCSE-JKSUJKDBSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000367176072 268263704 /nfs/dbraw/zinc/26/37/04/268263704.db2.gz GCPWAJLOLJOCSE-JKSUJKDBSA-N 1 1 342.399 0.866 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000189370453 437595839 /nfs/dbraw/zinc/59/58/39/437595839.db2.gz CPBDNLJRHUVZIV-MRXNPFEDSA-N 1 1 330.432 0.932 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@H](C(C)C)[NH+]2CCOCC2)C1=O ZINC000348495521 276905584 /nfs/dbraw/zinc/90/55/84/276905584.db2.gz DPACTNXMZZRGOF-UONOGXRCSA-N 1 1 325.409 0.466 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041720091 782050872 /nfs/dbraw/zinc/05/08/72/782050872.db2.gz KQURCNZSUCHCFN-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041720091 782050879 /nfs/dbraw/zinc/05/08/79/782050879.db2.gz KQURCNZSUCHCFN-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO C[C@H](CC#N)N(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000330723467 437599574 /nfs/dbraw/zinc/59/95/74/437599574.db2.gz YYONFXNZTJIABK-HUUCEWRRSA-N 1 1 336.436 0.460 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)CC1 ZINC000092618540 280134713 /nfs/dbraw/zinc/13/47/13/280134713.db2.gz DOQGBYFSXDWIKM-OAGGEKHMSA-N 1 1 349.479 0.265 20 30 ECEDMO CN(C)C(=O)C1(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCCC1 ZINC000330772632 437612564 /nfs/dbraw/zinc/61/25/64/437612564.db2.gz WMWLBZCPUVRGLG-AWEZNQCLSA-N 1 1 339.484 0.384 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)CCSC1 ZINC000328720979 289398246 /nfs/dbraw/zinc/39/82/46/289398246.db2.gz QYFDPFOZUJSOLE-AAEUAGOBSA-N 1 1 335.495 0.457 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000025302334 436150345 /nfs/dbraw/zinc/15/03/45/436150345.db2.gz APQAHFOMXNOXBU-QGZVFWFLSA-N 1 1 347.459 0.655 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000075698131 436173237 /nfs/dbraw/zinc/17/32/37/436173237.db2.gz CAKFIOSATIGBPV-INIZCTEOSA-N 1 1 338.496 0.895 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000075698131 436173240 /nfs/dbraw/zinc/17/32/40/436173240.db2.gz CAKFIOSATIGBPV-INIZCTEOSA-N 1 1 338.496 0.895 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000028752725 436191970 /nfs/dbraw/zinc/19/19/70/436191970.db2.gz ZYMIPHFMLOBNGY-UHFFFAOYSA-N 1 1 349.391 0.645 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000076333595 436200156 /nfs/dbraw/zinc/20/01/56/436200156.db2.gz SLCPMIMWKHDKLM-GFCCVEGCSA-N 1 1 328.372 0.858 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000076333596 436200894 /nfs/dbraw/zinc/20/08/94/436200894.db2.gz SLCPMIMWKHDKLM-LBPRGKRZSA-N 1 1 328.372 0.858 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CSCC(N)=O)CC2)cc1 ZINC000042721072 436313145 /nfs/dbraw/zinc/31/31/45/436313145.db2.gz KJXHYDICLGHAIZ-UHFFFAOYSA-N 1 1 346.456 0.811 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CSCC(N)=O)CC2)cc1 ZINC000042721072 436313150 /nfs/dbraw/zinc/31/31/50/436313150.db2.gz KJXHYDICLGHAIZ-UHFFFAOYSA-N 1 1 346.456 0.811 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](CCO)C2)CC1 ZINC000091556429 436452173 /nfs/dbraw/zinc/45/21/73/436452173.db2.gz PMODDFFQORILES-IAGOWNOFSA-N 1 1 336.480 0.773 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCn1nc2ccccn2c1=O ZINC000089942606 436421593 /nfs/dbraw/zinc/42/15/93/436421593.db2.gz VDNGOUKYPKSSJI-UHFFFAOYSA-N 1 1 340.391 0.238 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052694056 436514734 /nfs/dbraw/zinc/51/47/34/436514734.db2.gz CMJLLJWEKYGJET-QWHCGFSZSA-N 1 1 330.454 0.008 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052694056 436514737 /nfs/dbraw/zinc/51/47/37/436514737.db2.gz CMJLLJWEKYGJET-QWHCGFSZSA-N 1 1 330.454 0.008 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000110607903 436628659 /nfs/dbraw/zinc/62/86/59/436628659.db2.gz POWWRKLPFHSYBT-UHFFFAOYSA-N 1 1 330.432 0.885 20 30 ECEDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000109143453 436623736 /nfs/dbraw/zinc/62/37/36/436623736.db2.gz YYNAWYUGTNELIM-INIZCTEOSA-N 1 1 334.464 0.935 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000109819787 436626915 /nfs/dbraw/zinc/62/69/15/436626915.db2.gz KERKSRDIMYAQHM-QGZVFWFLSA-N 1 1 347.463 0.829 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000109819787 436626917 /nfs/dbraw/zinc/62/69/17/436626917.db2.gz KERKSRDIMYAQHM-QGZVFWFLSA-N 1 1 347.463 0.829 20 30 ECEDMO CN(CCC#N)S(=O)(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056107070 436587200 /nfs/dbraw/zinc/58/72/00/436587200.db2.gz KXRJKPMFJKVILA-UHFFFAOYSA-N 1 1 337.449 0.726 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C[C@@H](C)O)C(C)C)CC2)o1 ZINC000107042389 436607621 /nfs/dbraw/zinc/60/76/21/436607621.db2.gz OKSUNHSWAGXQOC-CYBMUJFWSA-N 1 1 349.435 0.595 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107300798 436610595 /nfs/dbraw/zinc/61/05/95/436610595.db2.gz IYENCZALTWTRDN-UONOGXRCSA-N 1 1 346.497 0.305 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107300798 436610599 /nfs/dbraw/zinc/61/05/99/436610599.db2.gz IYENCZALTWTRDN-UONOGXRCSA-N 1 1 346.497 0.305 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000112201791 436632603 /nfs/dbraw/zinc/63/26/03/436632603.db2.gz VVEBUJIOLQFQAQ-CRAIPNDOSA-N 1 1 334.464 0.839 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CCCN1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000113999639 436639523 /nfs/dbraw/zinc/63/95/23/436639523.db2.gz ZLMNUWWHJDWRPM-AWEZNQCLSA-N 1 1 333.436 0.707 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000536369152 302136092 /nfs/dbraw/zinc/13/60/92/302136092.db2.gz IRDHTBHAQVXWSK-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000536369152 302136094 /nfs/dbraw/zinc/13/60/94/302136094.db2.gz IRDHTBHAQVXWSK-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO C[C@H](CNC(=O)CNc1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000114379666 436640306 /nfs/dbraw/zinc/64/03/06/436640306.db2.gz BWJQNFRLTRDYLJ-OAHLLOKOSA-N 1 1 329.448 0.970 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000545295556 302234759 /nfs/dbraw/zinc/23/47/59/302234759.db2.gz KFETUXRDVSMAMW-GFCCVEGCSA-N 1 1 330.388 0.963 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](NC(N)=O)C2)c(OC)c1 ZINC000270698315 436674773 /nfs/dbraw/zinc/67/47/73/436674773.db2.gz XLWVQJPFPLMDAS-LSDHHAIUSA-N 1 1 349.431 0.906 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000152366673 436727873 /nfs/dbraw/zinc/72/78/73/436727873.db2.gz CDVFGFRYDWFZRP-KRWDZBQOSA-N 1 1 325.412 0.803 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000273076760 436732387 /nfs/dbraw/zinc/73/23/87/436732387.db2.gz KMRXWZVEEKVOJY-OLZOCXBDSA-N 1 1 325.409 0.862 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cn2c(C)nc3ccccc3c2=O)CC1 ZINC000068444698 436745931 /nfs/dbraw/zinc/74/59/31/436745931.db2.gz XNIGTHYVLHFEJW-UHFFFAOYSA-N 1 1 338.411 0.872 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)C[C@H](O)C3CC3)CC2)o1 ZINC000156602533 436818226 /nfs/dbraw/zinc/81/82/26/436818226.db2.gz HQYYKVHNKRGNCD-HNNXBMFYSA-N 1 1 347.419 0.206 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249348252 436818499 /nfs/dbraw/zinc/81/84/99/436818499.db2.gz PBJGLDDXEYQLNV-WQVCFCJDSA-N 1 1 335.379 0.888 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249348252 436818502 /nfs/dbraw/zinc/81/85/02/436818502.db2.gz PBJGLDDXEYQLNV-WQVCFCJDSA-N 1 1 335.379 0.888 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000245907675 436770757 /nfs/dbraw/zinc/77/07/57/436770757.db2.gz ULTRKAUJQCFYGN-RHSMWYFYSA-N 1 1 338.452 0.610 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000245907675 436770761 /nfs/dbraw/zinc/77/07/61/436770761.db2.gz ULTRKAUJQCFYGN-RHSMWYFYSA-N 1 1 338.452 0.610 20 30 ECEDMO N#CCCOCC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000293168274 436854025 /nfs/dbraw/zinc/85/40/25/436854025.db2.gz RUHMGRXKNGTUND-UHFFFAOYSA-N 1 1 346.435 0.365 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000293223253 436858142 /nfs/dbraw/zinc/85/81/42/436858142.db2.gz BVMRBHGTCQGLJZ-UHFFFAOYSA-N 1 1 342.399 0.433 20 30 ECEDMO CCOC(=O)[C@](C)(O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000274678237 436858126 /nfs/dbraw/zinc/85/81/26/436858126.db2.gz VXDRMEMYXHRAGO-GOSISDBHSA-N 1 1 331.416 0.990 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000160076472 436868515 /nfs/dbraw/zinc/86/85/15/436868515.db2.gz YYQRVJCARQTQID-CYBMUJFWSA-N 1 1 338.433 0.572 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000160076472 436868520 /nfs/dbraw/zinc/86/85/20/436868520.db2.gz YYQRVJCARQTQID-CYBMUJFWSA-N 1 1 338.433 0.572 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249525976 436823151 /nfs/dbraw/zinc/82/31/51/436823151.db2.gz YHQUSCGAIVSVJY-YQQAZPJKSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCO ZINC000249605746 436824843 /nfs/dbraw/zinc/82/48/43/436824843.db2.gz ZQICBJWVZRAKDY-PBHICJAKSA-N 1 1 328.416 0.662 20 30 ECEDMO C[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1CCO ZINC000249605746 436824844 /nfs/dbraw/zinc/82/48/44/436824844.db2.gz ZQICBJWVZRAKDY-PBHICJAKSA-N 1 1 328.416 0.662 20 30 ECEDMO C#CCNC(=O)c1ccc(N[C@H](C)CCN2CC[NH+](C)CC2)nc1 ZINC000274513103 436836617 /nfs/dbraw/zinc/83/66/17/436836617.db2.gz VDHRUNYXRCBSNZ-OAHLLOKOSA-N 1 1 329.448 0.883 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000293869910 436915291 /nfs/dbraw/zinc/91/52/91/436915291.db2.gz BTRGYXWFPANJNO-CYBMUJFWSA-N 1 1 346.387 0.784 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 ZINC000293573572 436889906 /nfs/dbraw/zinc/88/99/06/436889906.db2.gz STZQVCLSELIZFR-UHFFFAOYSA-N 1 1 343.427 0.901 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261932490 436896820 /nfs/dbraw/zinc/89/68/20/436896820.db2.gz BSOGTOUAYOXTDN-HZPDHXFCSA-N 1 1 344.463 0.110 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280527769 436901407 /nfs/dbraw/zinc/90/14/07/436901407.db2.gz ORJLEQMBVNJXKN-BLLLJJGKSA-N 1 1 325.409 0.657 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280527769 436901410 /nfs/dbraw/zinc/90/14/10/436901410.db2.gz ORJLEQMBVNJXKN-BLLLJJGKSA-N 1 1 325.409 0.657 20 30 ECEDMO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)n1 ZINC000280560833 436905163 /nfs/dbraw/zinc/90/51/63/436905163.db2.gz WTADEXZMMWAGFV-UHFFFAOYSA-N 1 1 344.419 0.826 20 30 ECEDMO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)n1 ZINC000280560833 436905167 /nfs/dbraw/zinc/90/51/67/436905167.db2.gz WTADEXZMMWAGFV-UHFFFAOYSA-N 1 1 344.419 0.826 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000293752780 436905924 /nfs/dbraw/zinc/90/59/24/436905924.db2.gz JCDIRWVHRZJTOV-UHFFFAOYSA-N 1 1 326.418 0.937 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](n3ccc(C(=O)NC)n3)C2)C1=O ZINC000281453667 436970760 /nfs/dbraw/zinc/97/07/60/436970760.db2.gz UUGAWVNDPUOYCY-ZFWWWQNUSA-N 1 1 331.420 0.667 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(C)C ZINC000281469188 436971621 /nfs/dbraw/zinc/97/16/21/436971621.db2.gz IAPGDJIDHTZHKS-HNNXBMFYSA-N 1 1 344.415 0.899 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1 ZINC000294080346 436932100 /nfs/dbraw/zinc/93/21/00/436932100.db2.gz WQTDASNDMFWTSK-OKILXGFUSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1 ZINC000294080346 436932102 /nfs/dbraw/zinc/93/21/02/436932102.db2.gz WQTDASNDMFWTSK-OKILXGFUSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000294064293 436932698 /nfs/dbraw/zinc/93/26/98/436932698.db2.gz VGWBMVOFAWDDJS-CABCVRRESA-N 1 1 330.388 0.029 20 30 ECEDMO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262754853 436941603 /nfs/dbraw/zinc/94/16/03/436941603.db2.gz DCRJSSBGKXUDEE-HZPDHXFCSA-N 1 1 343.479 0.670 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N(C)Cc1ccc2c(c1)OCO2 ZINC000262754174 436942008 /nfs/dbraw/zinc/94/20/08/436942008.db2.gz AQBWVNBDPLDXLY-HNNXBMFYSA-N 1 1 345.447 0.422 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000294706660 436959612 /nfs/dbraw/zinc/95/96/12/436959612.db2.gz UXSDQHHQDYUELE-ZDUSSCGKSA-N 1 1 325.409 0.351 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000294706660 436959614 /nfs/dbraw/zinc/95/96/14/436959614.db2.gz UXSDQHHQDYUELE-ZDUSSCGKSA-N 1 1 325.409 0.351 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000172656610 437023932 /nfs/dbraw/zinc/02/39/32/437023932.db2.gz FDTIJKNRQHDTCS-ZDUSSCGKSA-N 1 1 344.415 0.890 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC000283837006 437032734 /nfs/dbraw/zinc/03/27/34/437032734.db2.gz CJCUESPRQRMZIB-CQSZACIVSA-N 1 1 344.415 0.634 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000297032003 437001029 /nfs/dbraw/zinc/00/10/29/437001029.db2.gz VXVZNGCMFGQFIU-UHFFFAOYSA-N 1 1 338.433 0.088 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N2CCS(=O)(=O)C[C@@H]2C)CC1 ZINC000172385407 437011897 /nfs/dbraw/zinc/01/18/97/437011897.db2.gz VHFXFYNIVIHGIH-ZDUSSCGKSA-N 1 1 329.466 0.855 20 30 ECEDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC#Cc1ccccc1 ZINC000264580468 437048968 /nfs/dbraw/zinc/04/89/68/437048968.db2.gz JMYYVVLPLVQFTO-MRXNPFEDSA-N 1 1 328.416 0.677 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 ZINC000299314454 437068608 /nfs/dbraw/zinc/06/86/08/437068608.db2.gz LDDYLFHPYVOWOD-VXGBXAGGSA-N 1 1 331.338 0.611 20 30 ECEDMO C=CCN(Cc1ccccc1)C(=O)C(=O)NCC[N@H+](C)CCOC ZINC000285914582 437086482 /nfs/dbraw/zinc/08/64/82/437086482.db2.gz KLBISTRMMNOGCI-UHFFFAOYSA-N 1 1 333.432 0.896 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174893129 437089336 /nfs/dbraw/zinc/08/93/36/437089336.db2.gz JAIYWDQPPRVMPA-IRXDYDNUSA-N 1 1 335.496 0.849 20 30 ECEDMO C=CCC[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000276477890 437111721 /nfs/dbraw/zinc/11/17/21/437111721.db2.gz SJGDPEOBVOORJE-UHFFFAOYSA-N 1 1 327.406 0.789 20 30 ECEDMO C=CCNC(=O)CNc1cc(C2CC2)[nH+]c(NCC(=O)NCC=C)n1 ZINC000286588170 437105779 /nfs/dbraw/zinc/10/57/79/437105779.db2.gz TXDLEJYXAZJYMF-UHFFFAOYSA-N 1 1 344.419 0.782 20 30 ECEDMO C#CCN(Cc1ccccc1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000287146960 437165122 /nfs/dbraw/zinc/16/51/22/437165122.db2.gz NIOZTVNFKCXZPG-UHFFFAOYSA-N 1 1 342.443 0.996 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000286657582 437113244 /nfs/dbraw/zinc/11/32/44/437113244.db2.gz RGKLSDMZSPBFIF-INIZCTEOSA-N 1 1 344.415 0.354 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000265374741 437115312 /nfs/dbraw/zinc/11/53/12/437115312.db2.gz PIRMPMNJVHCPES-HZPDHXFCSA-N 1 1 335.429 0.146 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276488354 437115370 /nfs/dbraw/zinc/11/53/70/437115370.db2.gz UQZFURBFXYBAPH-SUMWQHHRSA-N 1 1 330.388 0.244 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276488354 437115373 /nfs/dbraw/zinc/11/53/73/437115373.db2.gz UQZFURBFXYBAPH-SUMWQHHRSA-N 1 1 330.388 0.244 20 30 ECEDMO N#Cc1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000265384888 437118414 /nfs/dbraw/zinc/11/84/14/437118414.db2.gz SBVFQPRIJUCYSL-HZPDHXFCSA-N 1 1 335.429 0.146 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000265832432 437198483 /nfs/dbraw/zinc/19/84/83/437198483.db2.gz LEXAJUKHVFJEED-CYBMUJFWSA-N 1 1 339.417 0.569 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000265832432 437198487 /nfs/dbraw/zinc/19/84/87/437198487.db2.gz LEXAJUKHVFJEED-CYBMUJFWSA-N 1 1 339.417 0.569 20 30 ECEDMO Cc1nsc(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1C#N ZINC000333309205 437266318 /nfs/dbraw/zinc/26/63/18/437266318.db2.gz LKHIZKOJXFTCTG-NSHDSACASA-N 1 1 348.432 0.751 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179561197 437268099 /nfs/dbraw/zinc/26/80/99/437268099.db2.gz JJBLBQSLASQCNJ-HNNXBMFYSA-N 1 1 344.415 0.952 20 30 ECEDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178518629 437218612 /nfs/dbraw/zinc/21/86/12/437218612.db2.gz JIVPKXSSIRKEQD-OAHLLOKOSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cc(Br)nn2C)CC1 ZINC000277448390 437221343 /nfs/dbraw/zinc/22/13/43/437221343.db2.gz FWVUQVHACFLCEO-UHFFFAOYSA-N 1 1 325.210 0.964 20 30 ECEDMO CN1CCN(C(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000178990268 437246458 /nfs/dbraw/zinc/24/64/58/437246458.db2.gz QLHRHTYYIBWXFY-UHFFFAOYSA-N 1 1 341.459 0.844 20 30 ECEDMO CN1CCN(C(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000178990268 437246461 /nfs/dbraw/zinc/24/64/61/437246461.db2.gz QLHRHTYYIBWXFY-UHFFFAOYSA-N 1 1 341.459 0.844 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000329046904 437306830 /nfs/dbraw/zinc/30/68/30/437306830.db2.gz JSUKNXBLWZQTKL-OQMKEHIESA-N 1 1 348.451 0.678 20 30 ECEDMO CCc1nn(C)c(CC)c1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000328838821 437271558 /nfs/dbraw/zinc/27/15/58/437271558.db2.gz NNCBPJNQBQAEMX-ZDUSSCGKSA-N 1 1 336.484 0.794 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)CO[C@@H](C)COC)c1 ZINC000278127529 437283769 /nfs/dbraw/zinc/28/37/69/437283769.db2.gz VSHZYBIUNDXQHI-YOEHRIQHSA-N 1 1 334.416 0.951 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)CO[C@@H](C)COC)c1 ZINC000278127529 437283772 /nfs/dbraw/zinc/28/37/72/437283772.db2.gz VSHZYBIUNDXQHI-YOEHRIQHSA-N 1 1 334.416 0.951 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cn[nH]c3=O)CC2)cc1 ZINC000180507224 437292450 /nfs/dbraw/zinc/29/24/50/437292450.db2.gz UDEDNTIQONMMET-UHFFFAOYSA-N 1 1 340.387 0.178 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000337189409 437340123 /nfs/dbraw/zinc/34/01/23/437340123.db2.gz RFVPJALUEZRDSX-UHFFFAOYSA-N 1 1 346.497 0.805 20 30 ECEDMO CN1C(=O)NC2(CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)C1=O ZINC000329346865 437356158 /nfs/dbraw/zinc/35/61/58/437356158.db2.gz CHCWSMGXMLTCOK-CHWSQXEVSA-N 1 1 349.435 0.748 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@H]3COC[C@H]3n3ccnn3)CC[C@@H]21 ZINC000329388500 437362305 /nfs/dbraw/zinc/36/23/05/437362305.db2.gz RJAVRWUKQWZKSU-CBBWQLFWSA-N 1 1 334.424 0.548 20 30 ECEDMO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3COC[C@H]3n3ccnn3)CC[C@@H]21 ZINC000329388500 437362309 /nfs/dbraw/zinc/36/23/09/437362309.db2.gz RJAVRWUKQWZKSU-CBBWQLFWSA-N 1 1 334.424 0.548 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3COC[C@H]3n3ccnn3)CC[C@@H]21 ZINC000329388500 437362313 /nfs/dbraw/zinc/36/23/13/437362313.db2.gz RJAVRWUKQWZKSU-CBBWQLFWSA-N 1 1 334.424 0.548 20 30 ECEDMO Cc1noc(CNC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC000329423922 437367130 /nfs/dbraw/zinc/36/71/30/437367130.db2.gz FJLLUOXDCFFMDZ-UHFFFAOYSA-N 1 1 333.396 0.733 20 30 ECEDMO Cc1noc(CNC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000329423922 437367137 /nfs/dbraw/zinc/36/71/37/437367137.db2.gz FJLLUOXDCFFMDZ-UHFFFAOYSA-N 1 1 333.396 0.733 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000329444751 437370109 /nfs/dbraw/zinc/37/01/09/437370109.db2.gz NQBFCJVURCTSDB-JKSUJKDBSA-N 1 1 340.468 0.274 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329231449 437338557 /nfs/dbraw/zinc/33/85/57/437338557.db2.gz KQGCQSJDBKUGCQ-OAGGEKHMSA-N 1 1 341.452 0.891 20 30 ECEDMO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)CC[N@H+]1C[C@H](C)O ZINC000329735306 437407004 /nfs/dbraw/zinc/40/70/04/437407004.db2.gz KVVBIHUOPGFKLM-BFHYXJOUSA-N 1 1 335.452 0.958 20 30 ECEDMO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CC[N@@H+]1C[C@H](C)O ZINC000329735306 437407007 /nfs/dbraw/zinc/40/70/07/437407007.db2.gz KVVBIHUOPGFKLM-BFHYXJOUSA-N 1 1 335.452 0.958 20 30 ECEDMO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CC[N@H+]1C[C@H](C)O ZINC000329735306 437407011 /nfs/dbraw/zinc/40/70/11/437407011.db2.gz KVVBIHUOPGFKLM-BFHYXJOUSA-N 1 1 335.452 0.958 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)[NH+]1CCOCC1 ZINC000329760161 437409548 /nfs/dbraw/zinc/40/95/48/437409548.db2.gz PUQSTQGLNRFZDW-FZKCQIBNSA-N 1 1 325.453 0.960 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000279165805 437380737 /nfs/dbraw/zinc/38/07/37/437380737.db2.gz BZDADEUOKHQGDW-OKILXGFUSA-N 1 1 327.384 0.657 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](CCO)C3)CC2)o1 ZINC000329625489 437393456 /nfs/dbraw/zinc/39/34/56/437393456.db2.gz STWTVZZODWJQJN-CQSZACIVSA-N 1 1 347.419 0.208 20 30 ECEDMO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000330230176 437471079 /nfs/dbraw/zinc/47/10/79/437471079.db2.gz WHXDBADABKSBKX-ZMSDIMECSA-N 1 1 341.452 0.749 20 30 ECEDMO C[C@H](Cn1cncn1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000330254621 437475641 /nfs/dbraw/zinc/47/56/41/437475641.db2.gz JNEPFPPHBABEGN-KGLIPLIRSA-N 1 1 336.440 0.766 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CCOC3(CCC3)C2)CC1 ZINC000330319412 437482599 /nfs/dbraw/zinc/48/25/99/437482599.db2.gz RGYAHJCCJPWORS-AWEZNQCLSA-N 1 1 338.452 0.756 20 30 ECEDMO C[C@@H]1CCS(=O)(=O)CCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000330319519 437483074 /nfs/dbraw/zinc/48/30/74/437483074.db2.gz DHQKKQYPQGJZIA-TZMCWYRMSA-N 1 1 349.522 0.847 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCCCO2)CC1 ZINC000329934658 437434753 /nfs/dbraw/zinc/43/47/53/437434753.db2.gz QPRPZBOBFCYDBH-AWEZNQCLSA-N 1 1 326.441 0.565 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000289759100 437439405 /nfs/dbraw/zinc/43/94/05/437439405.db2.gz QWYXVXJFJCVFDZ-BMFZPTHFSA-N 1 1 335.448 0.850 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC[N@H+]1C ZINC000329987481 437441337 /nfs/dbraw/zinc/44/13/37/437441337.db2.gz SRKMKGSCMXPLPY-XABYNWHXSA-N 1 1 349.435 0.758 20 30 ECEDMO C#CCNC(=O)c1ccccc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000185505535 437441660 /nfs/dbraw/zinc/44/16/60/437441660.db2.gz MPTQDXIWDFBRLX-CQSZACIVSA-N 1 1 328.416 0.624 20 30 ECEDMO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCc3c(ncn(C)c3=O)C2)C1 ZINC000330038978 437447118 /nfs/dbraw/zinc/44/71/18/437447118.db2.gz BTEKVSNWRYLHDJ-ZDUSSCGKSA-N 1 1 333.436 0.784 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)CC1(C#N)CC1 ZINC000330170577 437463385 /nfs/dbraw/zinc/46/33/85/437463385.db2.gz DUMAZVXMIWVFNI-CYBMUJFWSA-N 1 1 327.450 0.805 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)CC1(C#N)CC1 ZINC000330170577 437463389 /nfs/dbraw/zinc/46/33/89/437463389.db2.gz DUMAZVXMIWVFNI-CYBMUJFWSA-N 1 1 327.450 0.805 20 30 ECEDMO C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)c1ncnn1C ZINC000330208120 437469061 /nfs/dbraw/zinc/46/90/61/437469061.db2.gz AUWQFQLHSHPALS-CHWSQXEVSA-N 1 1 336.440 0.975 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](CO)CC2)CC1 ZINC000339751335 437502813 /nfs/dbraw/zinc/50/28/13/437502813.db2.gz SFLDNWJBDWTWED-DLBZAZTESA-N 1 1 336.480 0.773 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000354051384 437513437 /nfs/dbraw/zinc/51/34/37/437513437.db2.gz FWLWUUPNAZMESE-JKSUJKDBSA-N 1 1 335.448 0.852 20 30 ECEDMO CNC(=O)c1ccc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000330850484 437633784 /nfs/dbraw/zinc/63/37/84/437633784.db2.gz NEWWNHRHDAQYPY-KGLIPLIRSA-N 1 1 348.447 0.847 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2ccsc2)C[C@@H]1C ZINC000330960890 437657047 /nfs/dbraw/zinc/65/70/47/437657047.db2.gz JIUDGCOJWRRZCR-RYUDHWBXSA-N 1 1 325.434 0.966 20 30 ECEDMO COC(=O)CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292212558 437668989 /nfs/dbraw/zinc/66/89/89/437668989.db2.gz OMOGFAAMLZRVPH-ZDUSSCGKSA-N 1 1 332.360 0.086 20 30 ECEDMO COC(=O)CCNC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292212558 437668995 /nfs/dbraw/zinc/66/89/95/437668995.db2.gz OMOGFAAMLZRVPH-ZDUSSCGKSA-N 1 1 332.360 0.086 20 30 ECEDMO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000331011113 437670247 /nfs/dbraw/zinc/67/02/47/437670247.db2.gz FAHZSMLXJVJMQE-CMPLNLGQSA-N 1 1 326.422 0.777 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340501852 437673700 /nfs/dbraw/zinc/67/37/00/437673700.db2.gz VMFOLRNIEMQJJS-FMKPAKJESA-N 1 1 335.448 0.684 20 30 ECEDMO C[C@H](CN1CCCC1=O)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000331104165 437688475 /nfs/dbraw/zinc/68/84/75/437688475.db2.gz DWVLSJACVXTYCO-CYBMUJFWSA-N 1 1 326.441 0.300 20 30 ECEDMO CC(C)OC(=O)CCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000331223130 437720377 /nfs/dbraw/zinc/72/03/77/437720377.db2.gz LGLXLICVVQLXNF-UONOGXRCSA-N 1 1 327.425 0.895 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000331225373 437721861 /nfs/dbraw/zinc/72/18/61/437721861.db2.gz CBEJUHPLAIOUEP-ROUUACIJSA-N 1 1 349.523 0.951 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCN(C)C[C@H]2C(C)C)CC1 ZINC000331225373 437721869 /nfs/dbraw/zinc/72/18/69/437721869.db2.gz CBEJUHPLAIOUEP-ROUUACIJSA-N 1 1 349.523 0.951 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCN(C)C[C@H]2C(C)C)CC1 ZINC000331225373 437721872 /nfs/dbraw/zinc/72/18/72/437721872.db2.gz CBEJUHPLAIOUEP-ROUUACIJSA-N 1 1 349.523 0.951 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC(C#N)CC2)CC1 ZINC000340776803 437729183 /nfs/dbraw/zinc/72/91/83/437729183.db2.gz PBSMUKDGTNHNPA-HNNXBMFYSA-N 1 1 349.479 0.138 20 30 ECEDMO CN1CCN(C)[C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000331296420 437736035 /nfs/dbraw/zinc/73/60/35/437736035.db2.gz NBDCAUBMHQPLBL-UYSNPLJNSA-N 1 1 325.501 0.856 20 30 ECEDMO CC[NH+]1CCN(c2ccc(C(=O)NCC(=O)NCC#N)cc2F)CC1 ZINC000344150857 437741010 /nfs/dbraw/zinc/74/10/10/437741010.db2.gz JWDUBERLUAIRJZ-UHFFFAOYSA-N 1 1 347.394 0.337 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)C1 ZINC000370682305 437819663 /nfs/dbraw/zinc/81/96/63/437819663.db2.gz QRYVCFUKBPJROB-INIZCTEOSA-N 1 1 343.431 1.077 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)C1 ZINC000370682305 437819667 /nfs/dbraw/zinc/81/96/67/437819667.db2.gz QRYVCFUKBPJROB-INIZCTEOSA-N 1 1 343.431 1.077 20 30 ECEDMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1C#N ZINC000363218972 437776066 /nfs/dbraw/zinc/77/60/66/437776066.db2.gz NVYXSSHELGLJGU-INIZCTEOSA-N 1 1 343.431 0.398 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000346211344 437807625 /nfs/dbraw/zinc/80/76/25/437807625.db2.gz SYKBLRKPXRMPAP-NYTXWWLZSA-N 1 1 335.448 0.825 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000365182211 437869246 /nfs/dbraw/zinc/86/92/46/437869246.db2.gz GZNIWSLJPNBTPL-HZPDHXFCSA-N 1 1 348.447 0.021 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC(C2N=NC(=O)N2CC)CC1 ZINC000370931550 437861366 /nfs/dbraw/zinc/86/13/66/437861366.db2.gz VAMUPEZCXBUTCD-UHFFFAOYSA-N 1 1 334.424 0.945 20 30 ECEDMO C[C@@H](C#N)S(=O)(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000416379972 437923690 /nfs/dbraw/zinc/92/36/90/437923690.db2.gz BYLWFMHSKRLMIV-ZNMIVQPWSA-N 1 1 328.482 0.719 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@]23CCOC3)CC1 ZINC000341959162 437932769 /nfs/dbraw/zinc/93/27/69/437932769.db2.gz WAUTWZMEUWQOOP-WMZOPIPTSA-N 1 1 334.464 0.934 20 30 ECEDMO COC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@H+](C)C1 ZINC000416581573 437963848 /nfs/dbraw/zinc/96/38/48/437963848.db2.gz JPMKOMWKVJAUSJ-ZDUSSCGKSA-N 1 1 343.449 0.437 20 30 ECEDMO COC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@@H+](C)C1 ZINC000416581573 437963854 /nfs/dbraw/zinc/96/38/54/437963854.db2.gz JPMKOMWKVJAUSJ-ZDUSSCGKSA-N 1 1 343.449 0.437 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)CCCC#N)CC2)CC1 ZINC000348157115 438023354 /nfs/dbraw/zinc/02/33/54/438023354.db2.gz PUHKFYVLFBBLOO-UHFFFAOYSA-N 1 1 342.465 0.106 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(CC(=O)N(CCC#N)CCC#N)[C@@H](C)C1 ZINC000342283255 437992942 /nfs/dbraw/zinc/99/29/42/437992942.db2.gz PWIDJZJHWTVRHW-HNNXBMFYSA-N 1 1 349.435 0.212 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(CC(=O)N(CCC#N)CCC#N)[C@@H](C)C1 ZINC000342283255 437992948 /nfs/dbraw/zinc/99/29/48/437992948.db2.gz PWIDJZJHWTVRHW-HNNXBMFYSA-N 1 1 349.435 0.212 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000426197303 438052410 /nfs/dbraw/zinc/05/24/10/438052410.db2.gz BLSBKVHDPSKJMH-BRWVUGGUSA-N 1 1 336.480 0.914 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000430403723 438110670 /nfs/dbraw/zinc/11/06/70/438110670.db2.gz VNOFTHOJICEFQV-JJXSEGSLSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000366764826 438124306 /nfs/dbraw/zinc/12/43/06/438124306.db2.gz IBWKIGFTUOGGAL-AWEZNQCLSA-N 1 1 344.415 0.983 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000366786509 438125594 /nfs/dbraw/zinc/12/55/94/438125594.db2.gz JRHCIWVBGPZFEG-CQSZACIVSA-N 1 1 333.436 0.628 20 30 ECEDMO Cn1cc[nH+]c1[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000373058465 438128251 /nfs/dbraw/zinc/12/82/51/438128251.db2.gz NKRIGXONTKRQDR-NSHDSACASA-N 1 1 328.376 0.073 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358060885 438137687 /nfs/dbraw/zinc/13/76/87/438137687.db2.gz GCRVPPJNVFIULV-QGZVFWFLSA-N 1 1 332.404 0.391 20 30 ECEDMO COCCC[N@H+]1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 ZINC000374449734 438210896 /nfs/dbraw/zinc/21/08/96/438210896.db2.gz PKMTYOVMULGCLT-CQSZACIVSA-N 1 1 332.470 0.367 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)C1 ZINC000376265283 438277475 /nfs/dbraw/zinc/27/74/75/438277475.db2.gz KYVBITUKORJDCE-ZDUSSCGKSA-N 1 1 338.433 0.552 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376521740 438285305 /nfs/dbraw/zinc/28/53/05/438285305.db2.gz HEPOQBBVGUWWNV-HNNXBMFYSA-N 1 1 329.404 0.447 20 30 ECEDMO C=CCOCCCC(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000376623415 438287985 /nfs/dbraw/zinc/28/79/85/438287985.db2.gz PRMOKOFRADHKIU-UHFFFAOYSA-N 1 1 339.480 0.836 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](Nc3nccc(C#N)c3[N+](=O)[O-])C2)CC1 ZINC000376666493 438288149 /nfs/dbraw/zinc/28/81/49/438288149.db2.gz SFPKMHJHBCJEKK-CYBMUJFWSA-N 1 1 330.392 1.442 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCN(C[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000367778386 438248583 /nfs/dbraw/zinc/24/85/83/438248583.db2.gz VAJDWRLMYQJNAH-MRXNPFEDSA-N 1 1 343.493 0.068 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCN(C[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000367778386 438248586 /nfs/dbraw/zinc/24/85/86/438248586.db2.gz VAJDWRLMYQJNAH-MRXNPFEDSA-N 1 1 343.493 0.068 20 30 ECEDMO COC(=O)[C@@]1(C)CCN(CC#CC[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000375373439 438252851 /nfs/dbraw/zinc/25/28/51/438252851.db2.gz MHOYMHFTNRDYOC-ROUUACIJSA-N 1 1 336.432 0.760 20 30 ECEDMO COC(=O)[C@@]1(C)CCN(CC#CC[N@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000375373439 438252856 /nfs/dbraw/zinc/25/28/56/438252856.db2.gz MHOYMHFTNRDYOC-ROUUACIJSA-N 1 1 336.432 0.760 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000377929070 438332935 /nfs/dbraw/zinc/33/29/35/438332935.db2.gz UMWALAYAOJHPGQ-IBGZPJMESA-N 1 1 341.455 0.733 20 30 ECEDMO N#CCNC(=O)CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000377043046 438300634 /nfs/dbraw/zinc/30/06/34/438300634.db2.gz DIYSTHDDSWITRB-HZPDHXFCSA-N 1 1 341.415 0.542 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000359365240 438419969 /nfs/dbraw/zinc/41/99/69/438419969.db2.gz VXKFLSGXMTYCAQ-HNNXBMFYSA-N 1 1 339.484 0.346 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352544313 438438506 /nfs/dbraw/zinc/43/85/06/438438506.db2.gz PYWGDMQVQMMBHV-UONOGXRCSA-N 1 1 344.481 0.350 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352544313 438438511 /nfs/dbraw/zinc/43/85/11/438438511.db2.gz PYWGDMQVQMMBHV-UONOGXRCSA-N 1 1 344.481 0.350 20 30 ECEDMO Cn1cc(CNc2nc(N3CCn4cnnc4C3)cc[nH+]2)cc1C#N ZINC000359272699 438400039 /nfs/dbraw/zinc/40/00/39/438400039.db2.gz IOUVRNXYQXNEKN-UHFFFAOYSA-N 1 1 335.375 0.911 20 30 ECEDMO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1(CO)CC1 ZINC000353021432 438499012 /nfs/dbraw/zinc/49/90/12/438499012.db2.gz KDDVHDMMVGRUJF-AWEZNQCLSA-N 1 1 348.472 0.914 20 30 ECEDMO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1(CO)CC1 ZINC000353021432 438499014 /nfs/dbraw/zinc/49/90/14/438499014.db2.gz KDDVHDMMVGRUJF-AWEZNQCLSA-N 1 1 348.472 0.914 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000408111147 438514248 /nfs/dbraw/zinc/51/42/48/438514248.db2.gz AMVKESSZGVPKRY-ZDUSSCGKSA-N 1 1 346.435 0.139 20 30 ECEDMO C=CCN(Cc1nc(N)nc(N)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000369831082 438519577 /nfs/dbraw/zinc/51/95/77/438519577.db2.gz SXIZPIBQTSNVEG-OAHLLOKOSA-N 1 1 339.447 0.959 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000441265421 438580559 /nfs/dbraw/zinc/58/05/59/438580559.db2.gz MNHNYMSZVOVDBT-QGZVFWFLSA-N 1 1 345.399 0.420 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000410512929 438595414 /nfs/dbraw/zinc/59/54/14/438595414.db2.gz LGBNMJOIZQPOQT-HZPDHXFCSA-N 1 1 349.479 0.233 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](CCCO)C2)CC1 ZINC000452122184 438644956 /nfs/dbraw/zinc/64/49/56/438644956.db2.gz OIJWMSOIPAOJKR-SJORKVTESA-N 1 1 336.480 0.773 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[N@H+]1CCCC[C@H]1C ZINC000444591443 438664019 /nfs/dbraw/zinc/66/40/19/438664019.db2.gz CTDSJCOIRDTMIK-ZIAGYGMSSA-N 1 1 346.435 1.114 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)CNc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000447649346 438677859 /nfs/dbraw/zinc/67/78/59/438677859.db2.gz HIDSWTXXAAPFHL-OKILXGFUSA-N 1 1 331.420 0.933 20 30 ECEDMO C[C@@H]1C[N@H+](CCN(C)C(=O)CNc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000447649346 438677865 /nfs/dbraw/zinc/67/78/65/438677865.db2.gz HIDSWTXXAAPFHL-OKILXGFUSA-N 1 1 331.420 0.933 20 30 ECEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000448322194 438683371 /nfs/dbraw/zinc/68/33/71/438683371.db2.gz QMOAOBUMSDCPGA-ZDUSSCGKSA-N 1 1 346.435 0.972 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000453817404 438696359 /nfs/dbraw/zinc/69/63/59/438696359.db2.gz KSRFJYRXETUCPJ-INIZCTEOSA-N 1 1 344.415 0.768 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000453814825 438696400 /nfs/dbraw/zinc/69/64/00/438696400.db2.gz GHSURXJJGHABSV-OAHLLOKOSA-N 1 1 344.415 0.768 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c(F)c1 ZINC000574898875 438725806 /nfs/dbraw/zinc/72/58/06/438725806.db2.gz JAAGGEWEHQAIID-CYBMUJFWSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(F)c1 ZINC000574898875 438725807 /nfs/dbraw/zinc/72/58/07/438725807.db2.gz JAAGGEWEHQAIID-CYBMUJFWSA-N 1 1 341.408 0.822 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000554518454 438765808 /nfs/dbraw/zinc/76/58/08/438765808.db2.gz XGKVYMKMIOHNON-GJZGRUSLSA-N 1 1 344.481 0.413 20 30 ECEDMO N#CCc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000576038106 438766170 /nfs/dbraw/zinc/76/61/70/438766170.db2.gz ZAHVLXRWOKXPRA-MRXNPFEDSA-N 1 1 340.427 0.969 20 30 ECEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCCC1N=NC1=[NH+]CCN1 ZINC000497285411 438788699 /nfs/dbraw/zinc/78/86/99/438788699.db2.gz STQVWBJCEMKWGI-WDEREUQCSA-N 1 1 325.413 0.841 20 30 ECEDMO COC[C@@]1(CO)CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000595529471 438818262 /nfs/dbraw/zinc/81/82/62/438818262.db2.gz XQXZPAUZKSFLHS-AEFFLSMTSA-N 1 1 334.416 0.823 20 30 ECEDMO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000588128769 438820842 /nfs/dbraw/zinc/82/08/42/438820842.db2.gz JTUORSDVGARZMF-UHFFFAOYSA-N 1 1 349.479 0.423 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2ccc(C#N)c(C)n2)CC1=O ZINC000601178065 438829094 /nfs/dbraw/zinc/82/90/94/438829094.db2.gz KCPLUOXLUDQFLB-HNNXBMFYSA-N 1 1 331.420 0.853 20 30 ECEDMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cccc(C#N)n2)C[C@H](C)O1 ZINC000515299047 438860165 /nfs/dbraw/zinc/86/01/65/438860165.db2.gz HVMKPNYKXJASKR-BETUJISGSA-N 1 1 345.403 0.507 20 30 ECEDMO CN(CCC#N)C[C@H](O)C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000563852799 438868431 /nfs/dbraw/zinc/86/84/31/438868431.db2.gz ARXHLQOTFKHJOA-HZPDHXFCSA-N 1 1 339.461 0.568 20 30 ECEDMO Cc1cc(NCc2cn(C)nn2)c(C#N)c(NCc2cn(C)nn2)[nH+]1 ZINC000596190580 438938996 /nfs/dbraw/zinc/93/89/96/438938996.db2.gz VQJKQRBUTMWMQN-UHFFFAOYSA-N 1 1 338.379 0.743 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H]4COC[C@@H]4C3)CC2)o1 ZINC000601974846 438995797 /nfs/dbraw/zinc/99/57/97/438995797.db2.gz RIQYRVKYHDQSRB-OKILXGFUSA-N 1 1 345.403 0.082 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+](CCO)CCOCCO)C2=O)cc1 ZINC000459790573 438998290 /nfs/dbraw/zinc/99/82/90/438998290.db2.gz MFZDQSUURIQVRL-QGZVFWFLSA-N 1 1 347.415 0.357 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+](CCO)CCOCCO)C2=O)cc1 ZINC000459790573 438998296 /nfs/dbraw/zinc/99/82/96/438998296.db2.gz MFZDQSUURIQVRL-QGZVFWFLSA-N 1 1 347.415 0.357 20 30 ECEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602240125 439046175 /nfs/dbraw/zinc/04/61/75/439046175.db2.gz QOUVEDLXNYWCOF-JKSUJKDBSA-N 1 1 349.479 0.281 20 30 ECEDMO N#CC1(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)CCCCC1 ZINC000597163290 439050913 /nfs/dbraw/zinc/05/09/13/439050913.db2.gz ZODMBRXZOZEGIT-UHFFFAOYSA-N 1 1 336.436 0.415 20 30 ECEDMO CC[N@@H+](CCNC(=O)C(=O)NCc1ccc(CC#N)cc1)C1CC1 ZINC000580550059 439104020 /nfs/dbraw/zinc/10/40/20/439104020.db2.gz YEJMMZHQPFCIGI-UHFFFAOYSA-N 1 1 328.416 0.969 20 30 ECEDMO N#Cc1cnn2c1NC[C@H](C[N@H+]1CCCN(c3cccnn3)CC1)C2 ZINC000580565138 439105363 /nfs/dbraw/zinc/10/53/63/439105363.db2.gz WJITZJUAKKJVGI-CQSZACIVSA-N 1 1 338.419 0.799 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000592184188 439173323 /nfs/dbraw/zinc/17/33/23/439173323.db2.gz FJEJHUTWMZCFJQ-KGLIPLIRSA-N 1 1 346.353 0.795 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000592184188 439173325 /nfs/dbraw/zinc/17/33/25/439173325.db2.gz FJEJHUTWMZCFJQ-KGLIPLIRSA-N 1 1 346.353 0.795 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000592047125 439141027 /nfs/dbraw/zinc/14/10/27/439141027.db2.gz LDBGHKNOOFKTRX-UHFFFAOYSA-N 1 1 325.434 0.486 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2-n2ncc(C#N)c2N)C1 ZINC000597635962 439145633 /nfs/dbraw/zinc/14/56/33/439145633.db2.gz ALYOHBLFTGQAJD-HNNXBMFYSA-N 1 1 340.387 0.985 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccccc2-n2ncc(C#N)c2N)C1 ZINC000597635962 439145639 /nfs/dbraw/zinc/14/56/39/439145639.db2.gz ALYOHBLFTGQAJD-HNNXBMFYSA-N 1 1 340.387 0.985 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000597774502 439177742 /nfs/dbraw/zinc/17/77/42/439177742.db2.gz MLWZSFKVMHIRKB-KBPBESRZSA-N 1 1 325.409 0.021 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000592375943 439214739 /nfs/dbraw/zinc/21/47/39/439214739.db2.gz VBZGOPNTBYLBFW-CQSZACIVSA-N 1 1 348.428 0.143 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)ncc1C#N ZINC000568409167 439246187 /nfs/dbraw/zinc/24/61/87/439246187.db2.gz BDOVDEADQSDUJP-AWEZNQCLSA-N 1 1 329.404 0.999 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)ncc1C#N ZINC000568409167 439246194 /nfs/dbraw/zinc/24/61/94/439246194.db2.gz BDOVDEADQSDUJP-AWEZNQCLSA-N 1 1 329.404 0.999 20 30 ECEDMO C[NH+]1CCN(C(=O)Cn2c(C(F)(F)F)ccc(C#N)c2=O)CC1 ZINC000603374485 439250031 /nfs/dbraw/zinc/25/00/31/439250031.db2.gz BFLZZJUKCUVPBE-UHFFFAOYSA-N 1 1 328.294 0.513 20 30 ECEDMO CC(C)(C#N)CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603432471 439261004 /nfs/dbraw/zinc/26/10/04/439261004.db2.gz QMQJRBNQZZAKNM-HNNXBMFYSA-N 1 1 337.468 0.632 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000490935263 439315323 /nfs/dbraw/zinc/31/53/23/439315323.db2.gz LYXIFOMTSYMMLS-AWEZNQCLSA-N 1 1 341.371 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000491013407 439321617 /nfs/dbraw/zinc/32/16/17/439321617.db2.gz JHURSUBZBDZZPZ-CYBMUJFWSA-N 1 1 337.401 0.244 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000491013407 439321624 /nfs/dbraw/zinc/32/16/24/439321624.db2.gz JHURSUBZBDZZPZ-CYBMUJFWSA-N 1 1 337.401 0.244 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@H](O)COc2cccc(C)c2)CC1 ZINC000491070731 439328660 /nfs/dbraw/zinc/32/86/60/439328660.db2.gz DWRBBALCBBUNJM-KRWDZBQOSA-N 1 1 345.443 0.102 20 30 ECEDMO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)c1C#N ZINC000598931008 439330794 /nfs/dbraw/zinc/33/07/94/439330794.db2.gz FUMPTCSWASVQRS-ZYHUDNBSSA-N 1 1 341.419 1.461 20 30 ECEDMO COCC(=O)NC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000603882161 439286601 /nfs/dbraw/zinc/28/66/01/439286601.db2.gz AXJRCTCTRCXUIL-UHFFFAOYSA-N 1 1 344.415 0.401 20 30 ECEDMO C#CC[N@@H+](CC#CC)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000490841167 439302431 /nfs/dbraw/zinc/30/24/31/439302431.db2.gz SEZRRALEAXBZQA-UHFFFAOYSA-N 1 1 333.413 0.621 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000490842132 439302771 /nfs/dbraw/zinc/30/27/71/439302771.db2.gz ZBYCAKGSBOOGFR-KRWDZBQOSA-N 1 1 346.475 0.098 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000490898905 439309132 /nfs/dbraw/zinc/30/91/32/439309132.db2.gz MUULKJAJMQVBBN-KBPBESRZSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000490898905 439309136 /nfs/dbraw/zinc/30/91/36/439309136.db2.gz MUULKJAJMQVBBN-KBPBESRZSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC2(CC1)[C@H](OCC)C[C@@H]2O ZINC000491266958 439360205 /nfs/dbraw/zinc/36/02/05/439360205.db2.gz RJLJXMONPNJVKE-JKSUJKDBSA-N 1 1 337.464 0.903 20 30 ECEDMO C#CCn1ccc(CN(CC)C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000491285818 439362671 /nfs/dbraw/zinc/36/26/71/439362671.db2.gz FQQNYPYGLUWTNX-BQFCYCMXSA-N 1 1 334.464 0.808 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000491295887 439363420 /nfs/dbraw/zinc/36/34/20/439363420.db2.gz JPYLMERUVPBZHA-CQSZACIVSA-N 1 1 341.419 0.978 20 30 ECEDMO COc1ccc(C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1C#N ZINC000528733228 439365325 /nfs/dbraw/zinc/36/53/25/439365325.db2.gz AZCKASFRGMHTKH-UHFFFAOYSA-N 1 1 344.415 0.737 20 30 ECEDMO COc1ccc(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1C#N ZINC000528733228 439365329 /nfs/dbraw/zinc/36/53/29/439365329.db2.gz AZCKASFRGMHTKH-UHFFFAOYSA-N 1 1 344.415 0.737 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000528551758 439350147 /nfs/dbraw/zinc/35/01/47/439350147.db2.gz PCNIGCPNERKCMQ-KBPBESRZSA-N 1 1 328.438 0.062 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000582678012 439367791 /nfs/dbraw/zinc/36/77/91/439367791.db2.gz ZNRHFGDSZNSUKY-KBPBESRZSA-N 1 1 344.481 0.650 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000582678012 439367796 /nfs/dbraw/zinc/36/77/96/439367796.db2.gz ZNRHFGDSZNSUKY-KBPBESRZSA-N 1 1 344.481 0.650 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000582678019 439366731 /nfs/dbraw/zinc/36/67/31/439366731.db2.gz ZNRHFGDSZNSUKY-UONOGXRCSA-N 1 1 344.481 0.650 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000582678019 439366734 /nfs/dbraw/zinc/36/67/34/439366734.db2.gz ZNRHFGDSZNSUKY-UONOGXRCSA-N 1 1 344.481 0.650 20 30 ECEDMO C#CC[NH+]1CCC(c2nc(CC(=O)Nc3ccn(C)n3)no2)CC1 ZINC000491526454 439402499 /nfs/dbraw/zinc/40/24/99/439402499.db2.gz ZJGLIMVOGWXCNB-UHFFFAOYSA-N 1 1 328.376 0.797 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)CC1 ZINC000491614997 439410181 /nfs/dbraw/zinc/41/01/81/439410181.db2.gz ADSPLTWOIOMRMR-FQEVSTJZSA-N 1 1 341.455 0.530 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)C[C@@]2(O)CCc3ccccc32)CC1 ZINC000491614997 439410184 /nfs/dbraw/zinc/41/01/84/439410184.db2.gz ADSPLTWOIOMRMR-FQEVSTJZSA-N 1 1 341.455 0.530 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000593597846 439417519 /nfs/dbraw/zinc/41/75/19/439417519.db2.gz LWRBJEAHDLJBPS-GXTWGEPZSA-N 1 1 349.412 0.669 20 30 ECEDMO C[C@@H](CS(C)(=O)=O)[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000599292969 439420995 /nfs/dbraw/zinc/42/09/95/439420995.db2.gz MHUPRNPDKNDZON-DZGCQCFKSA-N 1 1 344.477 0.955 20 30 ECEDMO C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000599292969 439420998 /nfs/dbraw/zinc/42/09/98/439420998.db2.gz MHUPRNPDKNDZON-DZGCQCFKSA-N 1 1 344.477 0.955 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cn(Cc2noc(C)n2)nn1 ZINC000491805422 439455462 /nfs/dbraw/zinc/45/54/62/439455462.db2.gz ONKDFEPXKGCPDB-GFCCVEGCSA-N 1 1 330.348 0.272 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cn(Cc2noc(C)n2)nn1 ZINC000491805422 439455465 /nfs/dbraw/zinc/45/54/65/439455465.db2.gz ONKDFEPXKGCPDB-GFCCVEGCSA-N 1 1 330.348 0.272 20 30 ECEDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599327419 439435025 /nfs/dbraw/zinc/43/50/25/439435025.db2.gz HFGVCUFGAPVFHN-KGLIPLIRSA-N 1 1 345.465 0.071 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)[C@@]3(CCCO3)[C@@H]2C2CC2)CC1 ZINC000491748332 439442210 /nfs/dbraw/zinc/44/22/10/439442210.db2.gz RAUKBNCSVGFXNC-QFBILLFUSA-N 1 1 345.443 0.575 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)N(CC)CC)CC1 ZINC000491749602 439442435 /nfs/dbraw/zinc/44/24/35/439442435.db2.gz TXUVLAAERIMQKY-UHFFFAOYSA-N 1 1 337.468 0.731 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)CC2 ZINC000583269418 439442530 /nfs/dbraw/zinc/44/25/30/439442530.db2.gz VQOFREBEYFLYLM-LBPRGKRZSA-N 1 1 341.419 1.022 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000491759489 439443630 /nfs/dbraw/zinc/44/36/30/439443630.db2.gz MRUKKSIHLRZZNV-UHFFFAOYSA-N 1 1 340.383 0.950 20 30 ECEDMO C[C@H](C[S@](C)=O)[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599361793 439447302 /nfs/dbraw/zinc/44/73/02/439447302.db2.gz KWOUPZUHBFNYFH-ZLOXQWCVSA-N 1 1 332.425 0.985 20 30 ECEDMO C[C@H](C[S@](C)=O)[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599361793 439447306 /nfs/dbraw/zinc/44/73/06/439447306.db2.gz KWOUPZUHBFNYFH-ZLOXQWCVSA-N 1 1 332.425 0.985 20 30 ECEDMO CN(C)C(=O)[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000570908179 439459574 /nfs/dbraw/zinc/45/95/74/439459574.db2.gz ZOBOTMMVBGIXIZ-DZGCQCFKSA-N 1 1 340.383 0.600 20 30 ECEDMO CN(C)C(=O)[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000570908179 439459581 /nfs/dbraw/zinc/45/95/81/439459581.db2.gz ZOBOTMMVBGIXIZ-DZGCQCFKSA-N 1 1 340.383 0.600 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000599451791 439474592 /nfs/dbraw/zinc/47/45/92/439474592.db2.gz IIKQGKAAXKRZDF-QLFBSQMISA-N 1 1 334.372 0.154 20 30 ECEDMO Cn1cnnc1N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000594027766 439508804 /nfs/dbraw/zinc/50/88/04/439508804.db2.gz ZQXXKICZAMKTNR-UHFFFAOYSA-N 1 1 345.432 0.899 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000491815755 439458921 /nfs/dbraw/zinc/45/89/21/439458921.db2.gz LOAYYWSSVHUDEH-IAGOWNOFSA-N 1 1 336.480 0.884 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N(CCC#N)CCC#N ZINC000534832829 439534560 /nfs/dbraw/zinc/53/45/60/439534560.db2.gz WUYAMONJJKTVSB-UHFFFAOYSA-N 1 1 342.407 0.384 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ncc1C#N ZINC000594292938 439537564 /nfs/dbraw/zinc/53/75/64/439537564.db2.gz RLXBRBDCKGQZNW-WCQYABFASA-N 1 1 331.376 0.036 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ncc1C#N ZINC000594292938 439537568 /nfs/dbraw/zinc/53/75/68/439537568.db2.gz RLXBRBDCKGQZNW-WCQYABFASA-N 1 1 331.376 0.036 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000599693385 439538199 /nfs/dbraw/zinc/53/81/99/439538199.db2.gz OWJYIKCHIMMQFT-CYBMUJFWSA-N 1 1 330.454 0.010 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000599693385 439538201 /nfs/dbraw/zinc/53/82/01/439538201.db2.gz OWJYIKCHIMMQFT-CYBMUJFWSA-N 1 1 330.454 0.010 20 30 ECEDMO C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000539213121 439545840 /nfs/dbraw/zinc/54/58/40/439545840.db2.gz JNZMNKQPANECNE-NSHDSACASA-N 1 1 331.376 0.401 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000543758302 439565248 /nfs/dbraw/zinc/56/52/48/439565248.db2.gz MFCYNVHGTJXBOK-NHYWBVRUSA-N 1 1 345.451 0.920 20 30 ECEDMO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392681 439554208 /nfs/dbraw/zinc/55/42/08/439554208.db2.gz JSVPLHCQDWJHDA-OGHNNQOOSA-N 1 1 337.420 0.525 20 30 ECEDMO N#Cc1cccnc1-n1cc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cn1 ZINC000599773557 439555985 /nfs/dbraw/zinc/55/59/85/439555985.db2.gz KGOXCGVOAJLWHD-AWEZNQCLSA-N 1 1 341.375 0.327 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594477675 439567341 /nfs/dbraw/zinc/56/73/41/439567341.db2.gz IRFCZUDDCMDSSY-QWHCGFSZSA-N 1 1 325.365 0.137 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594477675 439567344 /nfs/dbraw/zinc/56/73/44/439567344.db2.gz IRFCZUDDCMDSSY-QWHCGFSZSA-N 1 1 325.365 0.137 20 30 ECEDMO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000547331476 439574417 /nfs/dbraw/zinc/57/44/17/439574417.db2.gz REMLRHZSLLVKAV-CABCVRRESA-N 1 1 340.493 0.578 20 30 ECEDMO COc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(F)cc1C#N ZINC000599947493 439582887 /nfs/dbraw/zinc/58/28/87/439582887.db2.gz YHTRDUXFGCONIP-JTQLQIEISA-N 1 1 334.351 0.712 20 30 ECEDMO COc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)c(F)cc1C#N ZINC000599951629 439584170 /nfs/dbraw/zinc/58/41/70/439584170.db2.gz GXOKIFRNNRGBLA-NSHDSACASA-N 1 1 334.351 0.855 20 30 ECEDMO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000610000652 439595898 /nfs/dbraw/zinc/59/58/98/439595898.db2.gz NZYBUWNYIHNIPN-DLBZAZTESA-N 1 1 328.416 0.881 20 30 ECEDMO N#CCCN(CCC#N)C(=O)CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000610002587 439595958 /nfs/dbraw/zinc/59/59/58/439595958.db2.gz VIXTUVQPJFYLQC-QGZVFWFLSA-N 1 1 347.463 0.829 20 30 ECEDMO C[NH+]1CCN(C(=O)c2ccc(CNc3ncncc3C#N)cc2)CC1 ZINC000584587422 439604222 /nfs/dbraw/zinc/60/42/22/439604222.db2.gz IEUZTADKTRLVIV-UHFFFAOYSA-N 1 1 336.399 0.770 20 30 ECEDMO CN1CC[NH+](C(C)(C)CNC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000610326043 439610513 /nfs/dbraw/zinc/61/05/13/439610513.db2.gz OPAREXRDOHSEPB-UHFFFAOYSA-N 1 1 333.440 0.944 20 30 ECEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610391172 439612352 /nfs/dbraw/zinc/61/23/52/439612352.db2.gz ZXQRAHPEXQQIKV-HUUCEWRRSA-N 1 1 336.396 0.318 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000600098193 439612473 /nfs/dbraw/zinc/61/24/73/439612473.db2.gz HHZGHRAPDYELAK-NSHDSACASA-N 1 1 336.779 0.333 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000585711477 439645371 /nfs/dbraw/zinc/64/53/71/439645371.db2.gz LPMHAOCUGQDOGM-INIZCTEOSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC[N@H+]1C ZINC000586859754 439664982 /nfs/dbraw/zinc/66/49/82/439664982.db2.gz HVXGOPBLVBQPMV-FZMZJTMJSA-N 1 1 332.379 0.912 20 30 ECEDMO N#CC1(CS(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000594817412 439620859 /nfs/dbraw/zinc/62/08/59/439620859.db2.gz QSXDABKCQYGWNA-MRXNPFEDSA-N 1 1 349.456 0.976 20 30 ECEDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)s1 ZINC000594841865 439625916 /nfs/dbraw/zinc/62/59/16/439625916.db2.gz BDBPZTRKTFQJFJ-UHFFFAOYSA-N 1 1 344.462 0.260 20 30 ECEDMO CN(C)C(=O)NCC[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611483537 439700652 /nfs/dbraw/zinc/70/06/52/439700652.db2.gz NHIHBKGLNCRDBX-OAHLLOKOSA-N 1 1 334.420 0.695 20 30 ECEDMO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000595340404 439707231 /nfs/dbraw/zinc/70/72/31/439707231.db2.gz WGDQCWFGORDUSV-CABCVRRESA-N 1 1 332.452 0.560 20 30 ECEDMO C[C@](O)(C[C@H](O)C[NH+]1CCN(c2cnccc2C#N)CC1)C1CC1 ZINC000600847300 439709394 /nfs/dbraw/zinc/70/93/94/439709394.db2.gz YZFXTOHYTWJLHS-WMZOPIPTSA-N 1 1 330.432 0.987 20 30 ECEDMO C[C@](O)(C[C@H](O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)C1CC1 ZINC000600845381 439710465 /nfs/dbraw/zinc/71/04/65/439710465.db2.gz DXDUPSZSEPBTLO-WMZOPIPTSA-N 1 1 330.432 0.987 20 30 ECEDMO CC(C)[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)N1CCN(C)CC1 ZINC000574685104 439720741 /nfs/dbraw/zinc/72/07/41/439720741.db2.gz ZAPUDBCLYSOVMG-IAGOWNOFSA-N 1 1 325.501 0.054 20 30 ECEDMO CN1CC(=O)N(CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000595287321 439690962 /nfs/dbraw/zinc/69/09/62/439690962.db2.gz PTIAXPXQURVNBO-UHFFFAOYSA-N 1 1 341.415 0.570 20 30 ECEDMO CC[N@H+]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@H]1C ZINC000611373166 439695151 /nfs/dbraw/zinc/69/51/51/439695151.db2.gz JRRQOVRGASXVBI-IAGOWNOFSA-N 1 1 335.496 0.705 20 30 ECEDMO CN1CCN(C(C)(C)C[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000600729282 439695870 /nfs/dbraw/zinc/69/58/70/439695870.db2.gz XGEMIWXYVZIXPC-KRWDZBQOSA-N 1 1 346.475 0.914 20 30 ECEDMO C[C@H](O)C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613394779 439756501 /nfs/dbraw/zinc/75/65/01/439756501.db2.gz CHPSTGDIGKNSBK-BHYGNILZSA-N 1 1 334.416 0.964 20 30 ECEDMO C[C@H](O)C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613394779 439756502 /nfs/dbraw/zinc/75/65/02/439756502.db2.gz CHPSTGDIGKNSBK-BHYGNILZSA-N 1 1 334.416 0.964 20 30 ECEDMO CN(C)S(=O)(=O)N1CCC[N@@H+](CCc2ccc(C#N)cc2)CC1 ZINC000595491625 439733767 /nfs/dbraw/zinc/73/37/67/439733767.db2.gz TUHLOLVONXXSJX-UHFFFAOYSA-N 1 1 336.461 0.915 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1 ZINC001041735317 782082650 /nfs/dbraw/zinc/08/26/50/782082650.db2.gz DSPWEYJAMWKLAI-PTXATLKXSA-N 1 1 332.404 0.085 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000617413476 439881144 /nfs/dbraw/zinc/88/11/44/439881144.db2.gz LROFDICOIAIGDQ-CQSZACIVSA-N 1 1 337.445 0.975 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000641680286 439898610 /nfs/dbraw/zinc/89/86/10/439898610.db2.gz NVRSFZLSRAOMFK-ZDUSSCGKSA-N 1 1 325.434 0.629 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637116880 440170464 /nfs/dbraw/zinc/17/04/64/440170464.db2.gz DFPGEOGTLSXJJP-QLFBSQMISA-N 1 1 338.452 0.607 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000618900666 440173966 /nfs/dbraw/zinc/17/39/66/440173966.db2.gz OZODIPKICYWEON-BFYDXBDKSA-N 1 1 331.416 0.997 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000618900666 440173974 /nfs/dbraw/zinc/17/39/74/440173974.db2.gz OZODIPKICYWEON-BFYDXBDKSA-N 1 1 331.416 0.997 20 30 ECEDMO C=CC[C@@]1(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)CCC[NH2+]1 ZINC000638856516 440634270 /nfs/dbraw/zinc/63/42/70/440634270.db2.gz NMXHSQXPZPZHHN-YJBOKZPZSA-N 1 1 334.464 0.496 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC000660598503 440689338 /nfs/dbraw/zinc/68/93/38/440689338.db2.gz ZRWMNPQGRTZROY-ZIAGYGMSSA-N 1 1 345.465 0.138 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639702764 440766036 /nfs/dbraw/zinc/76/60/36/440766036.db2.gz NMGHVHNVPBVTED-AWEZNQCLSA-N 1 1 332.404 0.587 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639702764 440766039 /nfs/dbraw/zinc/76/60/39/440766039.db2.gz NMGHVHNVPBVTED-AWEZNQCLSA-N 1 1 332.404 0.587 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC000639973786 440844630 /nfs/dbraw/zinc/84/46/30/440844630.db2.gz OOHWEJMCVJXAEM-CABCVRRESA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC000639973786 440844637 /nfs/dbraw/zinc/84/46/37/440844637.db2.gz OOHWEJMCVJXAEM-CABCVRRESA-N 1 1 331.420 0.401 20 30 ECEDMO CO[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@](C)(CO)C1 ZINC000640006984 440853698 /nfs/dbraw/zinc/85/36/98/440853698.db2.gz WZNVQWBUBOFEPB-IFXJQAMLSA-N 1 1 342.395 0.758 20 30 ECEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCCCN(C)S(C)(=O)=O ZINC000662084362 440964931 /nfs/dbraw/zinc/96/49/31/440964931.db2.gz QVKUXHHBFQCHDQ-OKILXGFUSA-N 1 1 329.466 0.567 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000662167813 440978320 /nfs/dbraw/zinc/97/83/20/440978320.db2.gz IMSAUNYRONRKMR-CQSZACIVSA-N 1 1 349.456 0.951 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000657493757 441009684 /nfs/dbraw/zinc/00/96/84/441009684.db2.gz IFGSSUGUWMXTFD-MRXNPFEDSA-N 1 1 334.464 0.425 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@]3(C)CCCS3(=O)=O)C2)C1 ZINC001041736833 782085299 /nfs/dbraw/zinc/08/52/99/782085299.db2.gz ZENHEEQYCBHKET-SJORKVTESA-N 1 1 338.473 0.901 20 30 ECEDMO CN1C(=O)CC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1=O ZINC000322078452 320717330 /nfs/dbraw/zinc/71/73/30/320717330.db2.gz OOXYLYDESLADFX-ZDUSSCGKSA-N 1 1 335.385 0.069 20 30 ECEDMO Cc1cc(C#N)cnc1-c1nc(CC(=O)N2CC[NH+](C)CC2)no1 ZINC000559975631 322227697 /nfs/dbraw/zinc/22/76/97/322227697.db2.gz FBJHOIVEJILISW-UHFFFAOYSA-N 1 1 326.360 0.628 20 30 ECEDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564085267 322361471 /nfs/dbraw/zinc/36/14/71/322361471.db2.gz JWAAYUMXMOYPBO-CJNGLKHVSA-N 1 1 326.404 0.896 20 30 ECEDMO CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000564300522 322368217 /nfs/dbraw/zinc/36/82/17/322368217.db2.gz ZRUJFAFNVCGYDL-LSDHHAIUSA-N 1 1 341.371 0.686 20 30 ECEDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000578741225 322872909 /nfs/dbraw/zinc/87/29/09/322872909.db2.gz MHTNAKUXKCBGSV-RDJZCZTQSA-N 1 1 332.448 0.523 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001078002679 782113141 /nfs/dbraw/zinc/11/31/41/782113141.db2.gz NKLZDABCLMCDCR-HUUCEWRRSA-N 1 1 332.404 0.789 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001041755858 782136342 /nfs/dbraw/zinc/13/63/42/782136342.db2.gz VLXSAIKMVKSVRZ-GOSISDBHSA-N 1 1 344.415 0.686 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1C[C@@H]2COC[C@H](C1)O2)N1CC[NH+](C)CC1 ZINC000328682833 546003578 /nfs/dbraw/zinc/00/35/78/546003578.db2.gz DEDBXHNKVNHLAU-XHSDSOJGSA-N 1 1 340.468 0.272 20 30 ECEDMO O=C(NC[C@@H]1COCCO1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000329822948 546035211 /nfs/dbraw/zinc/03/52/11/546035211.db2.gz QDYVTOFQFKETLN-LSDHHAIUSA-N 1 1 327.425 0.503 20 30 ECEDMO N#CC1(CCC[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)CCOCC1 ZINC000619620124 546349533 /nfs/dbraw/zinc/34/95/33/546349533.db2.gz WKSSTXFJZYZBNK-UHFFFAOYSA-N 1 1 348.447 0.510 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000625567069 547150634 /nfs/dbraw/zinc/15/06/34/547150634.db2.gz KHKJMJOGCIBVIY-HNNXBMFYSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000668803157 547754230 /nfs/dbraw/zinc/75/42/30/547754230.db2.gz IGCOAGXNMXIVOH-DLBZAZTESA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638912 548365057 /nfs/dbraw/zinc/36/50/57/548365057.db2.gz VVXCXQMOVULWDX-OAHLLOKOSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638912 548365062 /nfs/dbraw/zinc/36/50/62/548365062.db2.gz VVXCXQMOVULWDX-OAHLLOKOSA-N 1 1 336.480 0.696 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)nc1 ZINC001078030029 782174888 /nfs/dbraw/zinc/17/48/88/782174888.db2.gz DHXXPFGHNTYGMC-USXIJHARSA-N 1 1 329.400 0.264 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1=O ZINC000753112527 579395281 /nfs/dbraw/zinc/39/52/81/579395281.db2.gz UGTDKYAFBSPNIS-ZDUSSCGKSA-N 1 1 334.420 0.622 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)[C@@H](C)C2(C)CC2)c1=O ZINC000753112527 579395282 /nfs/dbraw/zinc/39/52/82/579395282.db2.gz UGTDKYAFBSPNIS-ZDUSSCGKSA-N 1 1 334.420 0.622 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)NCCNC(=O)C2N=CC=CC2=O)C[N@H+]1C1CC1 ZINC000753932496 579409410 /nfs/dbraw/zinc/40/94/10/579409410.db2.gz RTWVRVGZAFTDFN-RNZSINEYSA-N 1 1 347.419 0.437 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000755596978 579435897 /nfs/dbraw/zinc/43/58/97/579435897.db2.gz VKMRYOYQIMPKEM-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000755596978 579435898 /nfs/dbraw/zinc/43/58/98/579435898.db2.gz VKMRYOYQIMPKEM-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)OC ZINC000759931175 579500868 /nfs/dbraw/zinc/50/08/68/579500868.db2.gz CUDJVYVILVEQDP-HOTGVXAUSA-N 1 1 348.374 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)OC ZINC000759931175 579500870 /nfs/dbraw/zinc/50/08/70/579500870.db2.gz CUDJVYVILVEQDP-HOTGVXAUSA-N 1 1 348.374 0.960 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)CCCC[NH+]1CCOCC1 ZINC000726867243 578150624 /nfs/dbraw/zinc/15/06/24/578150624.db2.gz DITVECOUFLZRJO-UHFFFAOYSA-N 1 1 331.420 0.984 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cc2csc(-c3nc[nH]n3)n2)CC1 ZINC000729861863 578299393 /nfs/dbraw/zinc/29/93/93/578299393.db2.gz ZPOIOLDYNGANSN-UHFFFAOYSA-N 1 1 330.417 0.638 20 30 ECEDMO CC[N@@H+](CCNC(=O)NCCNC(=O)C1N=CC=CC1=O)C1CC1 ZINC000732459803 578325773 /nfs/dbraw/zinc/32/57/73/578325773.db2.gz RVOADOHQXQWPDA-CCEZHUSRSA-N 1 1 335.408 0.296 20 30 ECEDMO C=CC[N@@H+](CCNS(C)(=O)=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418525 578383878 /nfs/dbraw/zinc/38/38/78/578383878.db2.gz FADSJMZAMXBMBI-UHFFFAOYSA-N 1 1 336.421 0.404 20 30 ECEDMO C=CC[N@H+](CCNS(C)(=O)=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418525 578383879 /nfs/dbraw/zinc/38/38/79/578383879.db2.gz FADSJMZAMXBMBI-UHFFFAOYSA-N 1 1 336.421 0.404 20 30 ECEDMO CS(=O)(=O)c1ccc(C=NNCCC[NH+]2CCOCC2)cc1 ZINC000799490363 578666315 /nfs/dbraw/zinc/66/63/15/578666315.db2.gz AJSLSXQPHGQCBG-UHFFFAOYSA-N 1 1 325.434 0.736 20 30 ECEDMO Cn1ncc(Cl)c1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000780195996 578689865 /nfs/dbraw/zinc/68/98/65/578689865.db2.gz HAMRAHGBHGBNMM-UHFFFAOYSA-N 1 1 344.872 0.594 20 30 ECEDMO C[NH+]1CCN(CCCCNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780889749 578702285 /nfs/dbraw/zinc/70/22/85/578702285.db2.gz SUHKUMVJHXNAQU-QGZVFWFLSA-N 1 1 330.432 0.735 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)Nc2cccc(C(=O)OC)n2)CC1 ZINC000787271352 578803336 /nfs/dbraw/zinc/80/33/36/578803336.db2.gz JUHVGOCMMPRMQU-UHFFFAOYSA-N 1 1 330.388 0.448 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766633279 579090358 /nfs/dbraw/zinc/09/03/58/579090358.db2.gz DLXVIQQHKPEGJU-CQSZACIVSA-N 1 1 344.459 0.943 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000769768305 579151331 /nfs/dbraw/zinc/15/13/31/579151331.db2.gz HBKHPWXFTOFVQT-UHFFFAOYSA-N 1 1 326.466 0.792 20 30 ECEDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000771321068 579187563 /nfs/dbraw/zinc/18/75/63/579187563.db2.gz JCYIZNQSJPQOQI-CCEZHUSRSA-N 1 1 335.408 0.248 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)NCC[N@H+](C)CCOC ZINC000773338211 579225295 /nfs/dbraw/zinc/22/52/95/579225295.db2.gz FJWRIKPCKUBHPJ-UHFFFAOYSA-N 1 1 333.388 0.332 20 30 ECEDMO N#CCOc1ccc(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000773530490 579228769 /nfs/dbraw/zinc/22/87/69/579228769.db2.gz MARCBSQVWQEJNJ-MRXNPFEDSA-N 1 1 328.416 0.638 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1c(C(=O)OCC)cnn1C)[C@@H]1CCCO1 ZINC000775793642 579271363 /nfs/dbraw/zinc/27/13/63/579271363.db2.gz WGEGPIWYBVJIHE-OLZOCXBDSA-N 1 1 334.376 0.306 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)[C@H]1CCCO1 ZINC000775791589 579271393 /nfs/dbraw/zinc/27/13/93/579271393.db2.gz MXIHQMLFFGFELG-DLBZAZTESA-N 1 1 331.416 0.694 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@H]1CCCO1 ZINC000775800040 579271484 /nfs/dbraw/zinc/27/14/84/579271484.db2.gz QFGXXGCLIGUBEX-UKRRQHHQSA-N 1 1 344.350 0.510 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)[C@@H]1CCCO1 ZINC000775801525 579271666 /nfs/dbraw/zinc/27/16/66/579271666.db2.gz URNNOTRIHGLTHO-WMZOPIPTSA-N 1 1 327.428 0.936 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NC[C@H]1COc2ccccc2O1)[C@@H]1CCCO1 ZINC000775800979 579271676 /nfs/dbraw/zinc/27/16/76/579271676.db2.gz RGFNSXFCOAPLLB-KKUMJFAQSA-N 1 1 330.384 0.713 20 30 ECEDMO C#CC[NH2+]CC(=O)N(CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000779326424 579315198 /nfs/dbraw/zinc/31/51/98/579315198.db2.gz XRAKCRUFBPAIKS-UHFFFAOYSA-N 1 1 331.372 0.468 20 30 ECEDMO N#Cc1cccc(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)n1 ZINC000761044155 579520082 /nfs/dbraw/zinc/52/00/82/579520082.db2.gz ZCWMAHSVCOZBHO-UHFFFAOYSA-N 1 1 329.404 0.324 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c1=O ZINC000762145776 579537133 /nfs/dbraw/zinc/53/71/33/579537133.db2.gz YEVXXEIALDWXCG-AWEZNQCLSA-N 1 1 346.431 0.766 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC3(CCC3)C[C@H]2C)c1=O ZINC000762145780 579537171 /nfs/dbraw/zinc/53/71/71/579537171.db2.gz YEVXXEIALDWXCG-CQSZACIVSA-N 1 1 346.431 0.766 20 30 ECEDMO CC1=CC[N@@H+](CCNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000762708797 579546364 /nfs/dbraw/zinc/54/63/64/579546364.db2.gz ZKKDOCRHHWTVNW-MSUUIHNZSA-N 1 1 332.404 0.671 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000763456764 579560529 /nfs/dbraw/zinc/56/05/29/579560529.db2.gz YQHBAMUOQBUOBG-CABCVRRESA-N 1 1 331.372 0.629 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000763456764 579560531 /nfs/dbraw/zinc/56/05/31/579560531.db2.gz YQHBAMUOQBUOBG-CABCVRRESA-N 1 1 331.372 0.629 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+]2CCC[C@H]2C)c1 ZINC000742238730 579783751 /nfs/dbraw/zinc/78/37/51/579783751.db2.gz ASBZWMGKDZJBKB-CQSZACIVSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)CC1 ZINC000747376666 579851570 /nfs/dbraw/zinc/85/15/70/579851570.db2.gz XNRURWRQEHSOFM-UHFFFAOYSA-N 1 1 345.403 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000837154642 588943068 /nfs/dbraw/zinc/94/30/68/588943068.db2.gz RVAREKSWUPUKQS-INIZCTEOSA-N 1 1 328.416 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000837154642 588943069 /nfs/dbraw/zinc/94/30/69/588943069.db2.gz RVAREKSWUPUKQS-INIZCTEOSA-N 1 1 328.416 0.836 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000895057303 586158662 /nfs/dbraw/zinc/15/86/62/586158662.db2.gz UPQLMKQPTBQHTQ-CYBMUJFWSA-N 1 1 332.408 0.015 20 30 ECEDMO CN1CC[NH+](C(C)(C)CNC(=O)NCC#C[C@H]2CCCCO2)CC1 ZINC000891745374 586193065 /nfs/dbraw/zinc/19/30/65/586193065.db2.gz ABOGXHMQDJKCSV-MRXNPFEDSA-N 1 1 336.480 0.884 20 30 ECEDMO CN(Cc1cc(C#N)cs1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000891878256 586202374 /nfs/dbraw/zinc/20/23/74/586202374.db2.gz FKNNIVBKBJGOHZ-UHFFFAOYSA-N 1 1 349.460 0.925 20 30 ECEDMO C#C[C@H]1CCCCN1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896469069 586242239 /nfs/dbraw/zinc/24/22/39/586242239.db2.gz HISDXPGOBYIEKQ-ROUUACIJSA-N 1 1 348.491 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCO[C@H](c3ccnn3C)C2)C1 ZINC000896492598 586243611 /nfs/dbraw/zinc/24/36/11/586243611.db2.gz GDUQWCRTJVRIDL-HOCLYGCPSA-N 1 1 331.420 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](c3ccnn3C)C2)C1 ZINC000896492598 586243613 /nfs/dbraw/zinc/24/36/13/586243613.db2.gz GDUQWCRTJVRIDL-HOCLYGCPSA-N 1 1 331.420 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC(n3cc(C(C)=O)nn3)C2)C1 ZINC000896490566 586243808 /nfs/dbraw/zinc/24/38/08/586243808.db2.gz UPHNJUVQJPUACE-CYBMUJFWSA-N 1 1 330.392 0.145 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC(n3cc(C(C)=O)nn3)C2)C1 ZINC000896490566 586243809 /nfs/dbraw/zinc/24/38/09/586243809.db2.gz UPHNJUVQJPUACE-CYBMUJFWSA-N 1 1 330.392 0.145 20 30 ECEDMO CN1CCN(C(=O)NCCNc2ncccc2C#N)CC[N@@H+](C)CC1 ZINC000892308031 586245380 /nfs/dbraw/zinc/24/53/80/586245380.db2.gz BUPDEMGJOGECSI-UHFFFAOYSA-N 1 1 345.451 0.254 20 30 ECEDMO C[N@H+](CCC#N)C[C@@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853065519 586305106 /nfs/dbraw/zinc/30/51/06/586305106.db2.gz UVIFWBURPKKXGA-MRVPVSSYSA-N 1 1 332.158 0.760 20 30 ECEDMO C[N@@H+](CCC#N)C[C@@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853065519 586305109 /nfs/dbraw/zinc/30/51/09/586305109.db2.gz UVIFWBURPKKXGA-MRVPVSSYSA-N 1 1 332.158 0.760 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCO[C@@](C)(C#N)C3)C2)CC1 ZINC000893022401 586306180 /nfs/dbraw/zinc/30/61/80/586306180.db2.gz LNGJRNLLPBRBAT-PBHICJAKSA-N 1 1 335.452 0.479 20 30 ECEDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCO[C@@](C)(C#N)C3)C2)CC1 ZINC000893022401 586306183 /nfs/dbraw/zinc/30/61/83/586306183.db2.gz LNGJRNLLPBRBAT-PBHICJAKSA-N 1 1 335.452 0.479 20 30 ECEDMO C#CC1(O)CN(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000893460736 586333846 /nfs/dbraw/zinc/33/38/46/586333846.db2.gz JPLBGPMQLOSKGW-UHFFFAOYSA-N 1 1 329.404 0.452 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+](C)C1 ZINC000840504349 586380603 /nfs/dbraw/zinc/38/06/03/586380603.db2.gz PZBLPPALEKXAON-HNNXBMFYSA-N 1 1 345.399 0.695 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)Cc2ccccc2CC#N)CC[N@@H+](C)C1 ZINC000840504626 586380773 /nfs/dbraw/zinc/38/07/73/586380773.db2.gz QZHOFVNFPYQKET-MRXNPFEDSA-N 1 1 329.400 0.858 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC000900274246 586536555 /nfs/dbraw/zinc/53/65/55/586536555.db2.gz MAVGVIKVLDDRGI-MAUKXSAKSA-N 1 1 329.400 0.520 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c1 ZINC000900274246 586536557 /nfs/dbraw/zinc/53/65/57/586536557.db2.gz MAVGVIKVLDDRGI-MAUKXSAKSA-N 1 1 329.400 0.520 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000900483182 586635215 /nfs/dbraw/zinc/63/52/15/586635215.db2.gz CGJFTBBTHLUELB-KDOFPFPSSA-N 1 1 346.406 0.801 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C#Cc3cccs3)CC2)CC1 ZINC000900618835 586649086 /nfs/dbraw/zinc/64/90/86/586649086.db2.gz ZPWLRCSUERZLJA-UHFFFAOYSA-N 1 1 346.456 0.611 20 30 ECEDMO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(C#CCO)c1 ZINC000901140022 586697658 /nfs/dbraw/zinc/69/76/58/586697658.db2.gz QROWKZWDWNFERD-SFHVURJKSA-N 1 1 330.428 0.997 20 30 ECEDMO C#CCN(CN1C[C@]2(CN3CCC2CC3)OC1=O)C1CC[NH+](C)CC1 ZINC000902540642 586741079 /nfs/dbraw/zinc/74/10/79/586741079.db2.gz TUFBFPUHYRUWHB-IBGZPJMESA-N 1 1 346.475 0.890 20 30 ECEDMO N#Cc1c2c(cn(CN3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)c1=O)CCC2 ZINC000902643067 586749741 /nfs/dbraw/zinc/74/97/41/586749741.db2.gz KFJBLYGBEFKVPB-QZTJIDSGSA-N 1 1 342.443 0.697 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N2CC[NH2+]CC2)ccc1Br ZINC000903479820 586777654 /nfs/dbraw/zinc/77/76/54/586777654.db2.gz HGPYDELUUUOYHH-UHFFFAOYSA-N 1 1 330.207 0.915 20 30 ECEDMO COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)cc1OC ZINC000903576685 586792976 /nfs/dbraw/zinc/79/29/76/586792976.db2.gz VSYWINBLRDZDCM-CYBMUJFWSA-N 1 1 339.417 0.566 20 30 ECEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000839630893 586884901 /nfs/dbraw/zinc/88/49/01/586884901.db2.gz QPRURCGBJPNLOC-JKSUJKDBSA-N 1 1 345.399 0.809 20 30 ECEDMO FCCn1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)cn1 ZINC000905420681 586891893 /nfs/dbraw/zinc/89/18/93/586891893.db2.gz HOURNDXRXFVQPL-UHFFFAOYSA-N 1 1 342.444 0.373 20 30 ECEDMO CCO[C@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)C[NH+](C)C ZINC000905580232 586903577 /nfs/dbraw/zinc/90/35/77/586903577.db2.gz LZWBDPBQAOGWOI-CQSZACIVSA-N 1 1 340.449 0.283 20 30 ECEDMO C#CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000906376123 586944710 /nfs/dbraw/zinc/94/47/10/586944710.db2.gz KPJFQDBRQWFTSY-HUUCEWRRSA-N 1 1 326.462 0.757 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1 ZINC000907287351 587032968 /nfs/dbraw/zinc/03/29/68/587032968.db2.gz XYKCDDCRPCCTQY-UHFFFAOYSA-N 1 1 337.445 0.308 20 30 ECEDMO C[C@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)[N@@H+](C)C1CC1 ZINC000804429574 587085015 /nfs/dbraw/zinc/08/50/15/587085015.db2.gz MQBSXUCTZYYRQV-GFCCVEGCSA-N 1 1 344.419 0.080 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000806911898 587111232 /nfs/dbraw/zinc/11/12/32/587111232.db2.gz ILYWNGCESOBAMS-SJPCQFCGSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000806911199 587111255 /nfs/dbraw/zinc/11/12/55/587111255.db2.gz JMETZUFTONSIKE-HRCADAONSA-N 1 1 335.448 0.616 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC000807364034 587125935 /nfs/dbraw/zinc/12/59/35/587125935.db2.gz YKIMTDCPACVXLT-BMRXWSCTSA-N 1 1 333.432 0.415 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000807384692 587126231 /nfs/dbraw/zinc/12/62/31/587126231.db2.gz QKVWWBKPILVFJB-LSDHHAIUSA-N 1 1 332.404 0.385 20 30 ECEDMO N#CCOc1cccc(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000808024639 587142498 /nfs/dbraw/zinc/14/24/98/587142498.db2.gz WJKVWEKUMWSSKM-INIZCTEOSA-N 1 1 328.416 0.638 20 30 ECEDMO N#CCOc1cccc(CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1 ZINC000808160374 587146362 /nfs/dbraw/zinc/14/63/62/587146362.db2.gz KRYNHZLQOSLIMX-CVEARBPZSA-N 1 1 329.400 0.799 20 30 ECEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CCC1 ZINC000810071673 587189097 /nfs/dbraw/zinc/18/90/97/587189097.db2.gz KKPRCHBIOHWWNK-LLVKDONJSA-N 1 1 346.353 0.939 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@@H]1CCCO1 ZINC000815574746 587293941 /nfs/dbraw/zinc/29/39/41/587293941.db2.gz BONNMZXQKOEDKT-KBPBESRZSA-N 1 1 326.356 0.878 20 30 ECEDMO CO[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(F)(F)F ZINC000819068836 587466921 /nfs/dbraw/zinc/46/69/21/587466921.db2.gz LXTXTFDGJBEWTP-SNVBAGLBSA-N 1 1 337.323 0.894 20 30 ECEDMO CON=C(C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)c1csc(N)n1 ZINC000820172599 587514404 /nfs/dbraw/zinc/51/44/04/587514404.db2.gz ZDRIJMJQFJPSAR-NSHDSACASA-N 1 1 325.438 0.874 20 30 ECEDMO C#C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CCOCC1 ZINC000823182509 587708120 /nfs/dbraw/zinc/70/81/20/587708120.db2.gz VZJUHQBQNMLMCO-QGZVFWFLSA-N 1 1 337.464 0.903 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000823208798 587710333 /nfs/dbraw/zinc/71/03/33/587710333.db2.gz MUXZTUUWMOYDES-MRXNPFEDSA-N 1 1 349.475 0.818 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C#Cc2cccs2)CC1 ZINC000827217974 588104755 /nfs/dbraw/zinc/10/47/55/588104755.db2.gz JOFHRHDUSQLUTK-HNNXBMFYSA-N 1 1 331.441 0.865 20 30 ECEDMO CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370763 589109480 /nfs/dbraw/zinc/10/94/80/589109480.db2.gz UAUAFWSOHTXIEK-KRWDZBQOSA-N 1 1 341.415 0.916 20 30 ECEDMO CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370763 589109481 /nfs/dbraw/zinc/10/94/81/589109481.db2.gz UAUAFWSOHTXIEK-KRWDZBQOSA-N 1 1 341.415 0.916 20 30 ECEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000844372229 589109544 /nfs/dbraw/zinc/10/95/44/589109544.db2.gz XFDNXNVKVDOXCR-GOEBONIOSA-N 1 1 337.445 0.805 20 30 ECEDMO CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H]1CCCN(O)C1=O)n2C ZINC000848135325 589279407 /nfs/dbraw/zinc/27/94/07/589279407.db2.gz MEHRVUKJYPZVRO-JTQLQIEISA-N 1 1 332.364 0.144 20 30 ECEDMO O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000848138427 589279905 /nfs/dbraw/zinc/27/99/05/589279905.db2.gz MQWHCKPDQVWLQN-LSDHHAIUSA-N 1 1 332.404 0.790 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000850709946 589381194 /nfs/dbraw/zinc/38/11/94/589381194.db2.gz NDWHUXKPYQHKOA-MRXNPFEDSA-N 1 1 337.464 0.818 20 30 ECEDMO COC(=O)CCN1CC[C@@H]([N@H+](C)C[C@H](O)c2cccc(C#N)c2)C1=O ZINC000852211098 589451147 /nfs/dbraw/zinc/45/11/47/589451147.db2.gz OVDCIQUIENVNJI-CVEARBPZSA-N 1 1 345.399 0.687 20 30 ECEDMO COC(=O)CCN1CC[C@@H]([N@@H+](C)C[C@H](O)c2cccc(C#N)c2)C1=O ZINC000852211098 589451148 /nfs/dbraw/zinc/45/11/48/589451148.db2.gz OVDCIQUIENVNJI-CVEARBPZSA-N 1 1 345.399 0.687 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cnn2c1CCC2 ZINC000853266871 589539191 /nfs/dbraw/zinc/53/91/91/589539191.db2.gz AISCRHUCMMDJDF-UHFFFAOYSA-N 1 1 336.465 0.350 20 30 ECEDMO CC#CC(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000854471328 589588752 /nfs/dbraw/zinc/58/87/52/589588752.db2.gz VTZFNKXYGJKPCQ-UHFFFAOYSA-N 1 1 327.384 0.696 20 30 ECEDMO N#Cc1cccc(OCC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000856256398 589658133 /nfs/dbraw/zinc/65/81/33/589658133.db2.gz YJKNWAYFMSCMHZ-INIZCTEOSA-N 1 1 329.400 0.995 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000860197610 589751312 /nfs/dbraw/zinc/75/13/12/589751312.db2.gz XNDJAHWYISBEIU-GDBMZVCRSA-N 1 1 337.445 0.853 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860529105 589779479 /nfs/dbraw/zinc/77/94/79/589779479.db2.gz ABWYBMZXWUANGQ-KGLIPLIRSA-N 1 1 330.388 0.414 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000859038218 589794977 /nfs/dbraw/zinc/79/49/77/589794977.db2.gz JYPSAAQWTWLXHR-CQSZACIVSA-N 1 1 327.425 0.013 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccnc1OCC(F)F ZINC000859173201 589804866 /nfs/dbraw/zinc/80/48/66/589804866.db2.gz XEJYRUONNWTNMX-UHFFFAOYSA-N 1 1 347.387 0.959 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000867843716 589852425 /nfs/dbraw/zinc/85/24/25/589852425.db2.gz DCHCEYHFOHMTGK-AWEZNQCLSA-N 1 1 336.436 0.175 20 30 ECEDMO CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867950666 589864846 /nfs/dbraw/zinc/86/48/46/589864846.db2.gz YJSOGVFTYPHHGP-NHYWBVRUSA-N 1 1 335.429 0.684 20 30 ECEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCCn1cnc(C#N)n1 ZINC000868603408 589916261 /nfs/dbraw/zinc/91/62/61/589916261.db2.gz DYDJWLUFNRFVAC-AWEZNQCLSA-N 1 1 325.376 0.636 20 30 ECEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCCn1cnc(C#N)n1 ZINC000868603408 589916264 /nfs/dbraw/zinc/91/62/64/589916264.db2.gz DYDJWLUFNRFVAC-AWEZNQCLSA-N 1 1 325.376 0.636 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1ccnc(-n2cncn2)c1 ZINC000868652296 589919335 /nfs/dbraw/zinc/91/93/35/589919335.db2.gz FLANSKCKESHQDS-UHFFFAOYSA-N 1 1 327.392 0.417 20 30 ECEDMO COCCN(C)c1ccc(C=[NH+]N[C@@H]2CCCS(=O)(=O)C2)cn1 ZINC000863133727 589990230 /nfs/dbraw/zinc/99/02/30/589990230.db2.gz MIPRBKZMLDDATK-CQSZACIVSA-N 1 1 340.449 0.665 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000864864259 590112241 /nfs/dbraw/zinc/11/22/41/590112241.db2.gz QUJCXAZCCUDQCK-QGZVFWFLSA-N 1 1 336.436 0.414 20 30 ECEDMO C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000865299844 590138184 /nfs/dbraw/zinc/13/81/84/590138184.db2.gz RJVOJFJOYIRMEM-AAEUAGOBSA-N 1 1 328.844 0.933 20 30 ECEDMO C=C(Cl)C[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000865301799 590138223 /nfs/dbraw/zinc/13/82/23/590138223.db2.gz PGRWOVCTXNLBDN-VXGBXAGGSA-N 1 1 342.827 0.637 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000872664823 590139091 /nfs/dbraw/zinc/13/90/91/590139091.db2.gz UUJMNBFLWVQEGU-ZIAGYGMSSA-N 1 1 330.454 0.262 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000872664821 590139348 /nfs/dbraw/zinc/13/93/48/590139348.db2.gz UUJMNBFLWVQEGU-KGLIPLIRSA-N 1 1 330.454 0.262 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000875217329 590283163 /nfs/dbraw/zinc/28/31/63/590283163.db2.gz ZLRLCRXSLIBMDM-HZPDHXFCSA-N 1 1 337.464 0.912 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[C@H]1CCCO1 ZINC000875323044 590292773 /nfs/dbraw/zinc/29/27/73/590292773.db2.gz FLERQKNVNYVCLX-OWCLPIDISA-N 1 1 333.432 0.417 20 30 ECEDMO CN1C(=O)[C@H]2C[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@H]2C1=O ZINC000879534446 590320932 /nfs/dbraw/zinc/32/09/32/590320932.db2.gz QICHKKHMHILNCN-GRYCIOLGSA-N 1 1 344.396 0.272 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586914 590326284 /nfs/dbraw/zinc/32/62/84/590326284.db2.gz YVKXBDHBFKGSNL-GOSISDBHSA-N 1 1 332.448 0.619 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC)cc2)CC1 ZINC000127893047 590330699 /nfs/dbraw/zinc/33/06/99/590330699.db2.gz QHVAPDJLGSGJGI-UHFFFAOYSA-N 1 1 329.400 0.593 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000879974164 590357309 /nfs/dbraw/zinc/35/73/09/590357309.db2.gz IRILKRDHWAMZFX-FZKCQIBNSA-N 1 1 337.464 0.809 20 30 ECEDMO CN(CCC#N)C(=O)CCN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254366 590379656 /nfs/dbraw/zinc/37/96/56/590379656.db2.gz UJYMMASUCZWVTL-UHFFFAOYSA-N 1 1 349.479 0.554 20 30 ECEDMO COCCCNC(=O)CN(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876569925 590387265 /nfs/dbraw/zinc/38/72/65/590387265.db2.gz ZQKGACCSHNZEHV-KRWDZBQOSA-N 1 1 344.415 0.356 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)N2CCCC[C@H]2C(=O)OCC)CC1 ZINC000880477592 590394766 /nfs/dbraw/zinc/39/47/66/590394766.db2.gz KZPDRAQLIZSDAF-HNNXBMFYSA-N 1 1 336.432 0.781 20 30 ECEDMO COCC[N@H+](C)CCCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876727775 590404806 /nfs/dbraw/zinc/40/48/06/590404806.db2.gz BXVZFMYLBHXMAL-KRWDZBQOSA-N 1 1 330.432 0.830 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876727775 590404807 /nfs/dbraw/zinc/40/48/07/590404807.db2.gz BXVZFMYLBHXMAL-KRWDZBQOSA-N 1 1 330.432 0.830 20 30 ECEDMO C=C(C)CN(CC)C(=O)Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000880990285 590429658 /nfs/dbraw/zinc/42/96/58/590429658.db2.gz TUWGHDFBNASQCY-UHFFFAOYSA-N 1 1 335.452 0.968 20 30 ECEDMO CC(=O)[C@@](C#N)(CC[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000878677229 590535041 /nfs/dbraw/zinc/53/50/41/590535041.db2.gz DGUJEZIGZJKKNX-DAYGRLMNSA-N 1 1 325.368 0.631 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000878744634 590539487 /nfs/dbraw/zinc/53/94/87/590539487.db2.gz VZGNZXRBXMPJEC-UHFFFAOYSA-N 1 1 341.459 0.371 20 30 ECEDMO C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885929197 590781849 /nfs/dbraw/zinc/78/18/49/590781849.db2.gz MCVDBJRIJGEINF-ZBFHGGJFSA-N 1 1 334.464 0.716 20 30 ECEDMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885952079 590784063 /nfs/dbraw/zinc/78/40/63/590784063.db2.gz WFGRCQRCCIBREO-UONOGXRCSA-N 1 1 329.466 0.835 20 30 ECEDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886048914 590788545 /nfs/dbraw/zinc/78/85/45/590788545.db2.gz APTDROWTAUXBQO-KGLIPLIRSA-N 1 1 329.466 0.692 20 30 ECEDMO CC(C)NS(=O)(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886190480 590807671 /nfs/dbraw/zinc/80/76/71/590807671.db2.gz RWJKFSRFCPEANK-CQSZACIVSA-N 1 1 344.481 0.292 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450201 590831940 /nfs/dbraw/zinc/83/19/40/590831940.db2.gz AQVMPKAIJSCYMA-NCOADZHNSA-N 1 1 336.480 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450201 590831945 /nfs/dbraw/zinc/83/19/45/590831945.db2.gz AQVMPKAIJSCYMA-NCOADZHNSA-N 1 1 336.480 0.881 20 30 ECEDMO C#CCN(C(=O)CS(=O)(=O)C1CCCC1)C1CC[NH+](C)CC1 ZINC000886583484 590861709 /nfs/dbraw/zinc/86/17/09/590861709.db2.gz RPCONWJEMXLNNZ-UHFFFAOYSA-N 1 1 326.462 0.900 20 30 ECEDMO COC(=O)N[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000886848948 590891788 /nfs/dbraw/zinc/89/17/88/590891788.db2.gz VUWILYZWGSAWGX-ZDUSSCGKSA-N 1 1 341.367 0.716 20 30 ECEDMO COC(=O)N[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000886848948 590891790 /nfs/dbraw/zinc/89/17/90/590891790.db2.gz VUWILYZWGSAWGX-ZDUSSCGKSA-N 1 1 341.367 0.716 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)CCc2ccc3c(c2)OCO3)CC1 ZINC000887095728 590943060 /nfs/dbraw/zinc/94/30/60/590943060.db2.gz XDFUXFUHCYOWKL-UHFFFAOYSA-N 1 1 343.427 0.667 20 30 ECEDMO N#Cc1ccc(NCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)nc1 ZINC000889760037 591085357 /nfs/dbraw/zinc/08/53/57/591085357.db2.gz AQEXIXFDKIIXQZ-HUUCEWRRSA-N 1 1 329.404 0.423 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[C@]2(O)CCCOC2)C1 ZINC000890361681 591150515 /nfs/dbraw/zinc/15/05/15/591150515.db2.gz XPUQJQGMUBJEIJ-YJBOKZPZSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[C@]2(O)CCCOC2)C1 ZINC000890361681 591150518 /nfs/dbraw/zinc/15/05/18/591150518.db2.gz XPUQJQGMUBJEIJ-YJBOKZPZSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)C1 ZINC000890362821 591150564 /nfs/dbraw/zinc/15/05/64/591150564.db2.gz IFOJQPSYYXQKSE-HUUCEWRRSA-N 1 1 347.463 0.877 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)C1 ZINC000890362821 591150568 /nfs/dbraw/zinc/15/05/68/591150568.db2.gz IFOJQPSYYXQKSE-HUUCEWRRSA-N 1 1 347.463 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3NC2=O)C1 ZINC000890361558 591150756 /nfs/dbraw/zinc/15/07/56/591150756.db2.gz UNCXXRGCSAVOKJ-GDBMZVCRSA-N 1 1 326.400 0.947 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3NC2=O)C1 ZINC000890361558 591150760 /nfs/dbraw/zinc/15/07/60/591150760.db2.gz UNCXXRGCSAVOKJ-GDBMZVCRSA-N 1 1 326.400 0.947 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000890364252 591151886 /nfs/dbraw/zinc/15/18/86/591151886.db2.gz YGSSHWKDYHBLKV-IXDOHACOSA-N 1 1 336.480 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@]2(O)C[C@H](OCC)C2(C)C)C1 ZINC000890367815 591153918 /nfs/dbraw/zinc/15/39/18/591153918.db2.gz UTNGSYNCALFDLD-MPGHIAIKSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@]2(O)C[C@H](OCC)C2(C)C)C1 ZINC000890367815 591153920 /nfs/dbraw/zinc/15/39/20/591153920.db2.gz UTNGSYNCALFDLD-MPGHIAIKSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)C1 ZINC000890368172 591153956 /nfs/dbraw/zinc/15/39/56/591153956.db2.gz DOEPPCLRWGRUBL-OWCLPIDISA-N 1 1 332.448 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)C1 ZINC000890368172 591153959 /nfs/dbraw/zinc/15/39/59/591153959.db2.gz DOEPPCLRWGRUBL-OWCLPIDISA-N 1 1 332.448 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2ccccc2)C1 ZINC000890372556 591154791 /nfs/dbraw/zinc/15/47/91/591154791.db2.gz JWVNYHVWTQSBAX-IAGOWNOFSA-N 1 1 340.427 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2ccccc2)C1 ZINC000890372556 591154795 /nfs/dbraw/zinc/15/47/95/591154795.db2.gz JWVNYHVWTQSBAX-IAGOWNOFSA-N 1 1 340.427 0.967 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000890377243 591155854 /nfs/dbraw/zinc/15/58/54/591155854.db2.gz SOTLEPFEQDEKOC-HOTGVXAUSA-N 1 1 348.447 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000890377243 591155857 /nfs/dbraw/zinc/15/58/57/591155857.db2.gz SOTLEPFEQDEKOC-HOTGVXAUSA-N 1 1 348.447 0.117 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000890377245 591156168 /nfs/dbraw/zinc/15/61/68/591156168.db2.gz SOTLEPFEQDEKOC-HZPDHXFCSA-N 1 1 348.447 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000890377245 591156169 /nfs/dbraw/zinc/15/61/69/591156169.db2.gz SOTLEPFEQDEKOC-HZPDHXFCSA-N 1 1 348.447 0.117 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC000922629394 611356595 /nfs/dbraw/zinc/35/65/95/611356595.db2.gz KFMCJIQGBUHQEB-QGZVFWFLSA-N 1 1 336.436 0.862 20 30 ECEDMO Cn1nnnc1C[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)CC[C@@H]2C1 ZINC000946589059 611356816 /nfs/dbraw/zinc/35/68/16/611356816.db2.gz DDLFMCVLGZOFAZ-GASCZTMLSA-N 1 1 328.420 0.294 20 30 ECEDMO Cn1nnnc1C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)CC[C@@H]2C1 ZINC000946589059 611356817 /nfs/dbraw/zinc/35/68/17/611356817.db2.gz DDLFMCVLGZOFAZ-GASCZTMLSA-N 1 1 328.420 0.294 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)C[C@]3(O)CCOC3)C2)nc1 ZINC000930542926 611442040 /nfs/dbraw/zinc/44/20/40/611442040.db2.gz ZCEGEZHDWIOKFF-BFYDXBDKSA-N 1 1 333.388 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1C ZINC000947176379 611452589 /nfs/dbraw/zinc/45/25/89/611452589.db2.gz YHGXSEVMKGBTGE-OIISXLGYSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1C ZINC000947176379 611452590 /nfs/dbraw/zinc/45/25/90/611452590.db2.gz YHGXSEVMKGBTGE-OIISXLGYSA-N 1 1 340.427 0.756 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930820989 611468828 /nfs/dbraw/zinc/46/88/28/611468828.db2.gz JGPLMGUMDOEIEI-QWHCGFSZSA-N 1 1 338.477 0.738 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000930820989 611468829 /nfs/dbraw/zinc/46/88/29/611468829.db2.gz JGPLMGUMDOEIEI-QWHCGFSZSA-N 1 1 338.477 0.738 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000930820392 611468964 /nfs/dbraw/zinc/46/89/64/611468964.db2.gz OATIMRXJEJKJGH-UONOGXRCSA-N 1 1 336.436 0.100 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000946786738 611478291 /nfs/dbraw/zinc/47/82/91/611478291.db2.gz SZXRLZAAKGDCTE-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)c(C(N)=O)cn3)CC[C@@H]2C1 ZINC000946790425 611480641 /nfs/dbraw/zinc/48/06/41/611480641.db2.gz MABOWQXTGMQZNZ-GASCZTMLSA-N 1 1 340.427 0.906 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)n1 ZINC000925336406 611471521 /nfs/dbraw/zinc/47/15/21/611471521.db2.gz DFNCWOWBWOBWFK-HOCLYGCPSA-N 1 1 333.436 0.767 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000948315819 611516989 /nfs/dbraw/zinc/51/69/89/611516989.db2.gz GYTWYIKWNHKAQD-WFASDCNBSA-N 1 1 331.420 0.947 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C ZINC000947478820 611553251 /nfs/dbraw/zinc/55/32/51/611553251.db2.gz HWMIVEBXDGBFEK-OLZOCXBDSA-N 1 1 328.376 0.535 20 30 ECEDMO COC1(OC)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1O ZINC000931642382 611560216 /nfs/dbraw/zinc/56/02/16/611560216.db2.gz RMIVNYOFINJAAF-KGLIPLIRSA-N 1 1 339.436 0.773 20 30 ECEDMO COC1(OC)CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1O ZINC000931642382 611560219 /nfs/dbraw/zinc/56/02/19/611560219.db2.gz RMIVNYOFINJAAF-KGLIPLIRSA-N 1 1 339.436 0.773 20 30 ECEDMO COC1(OC)CCOC[C@@H]1[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000931667565 611563990 /nfs/dbraw/zinc/56/39/90/611563990.db2.gz LTDZGKDVTWKKRX-YDHLFZDLSA-N 1 1 327.425 0.797 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000948421813 611586248 /nfs/dbraw/zinc/58/62/48/611586248.db2.gz MRIPSAVCKPUUCR-DAXOMENPSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(Cc2cnon2)CC1 ZINC000948449928 611601804 /nfs/dbraw/zinc/60/18/04/611601804.db2.gz YJTQOXDQYFKCDM-SJORKVTESA-N 1 1 345.447 0.980 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(Cc2cnon2)CC1 ZINC000948449928 611601806 /nfs/dbraw/zinc/60/18/06/611601806.db2.gz YJTQOXDQYFKCDM-SJORKVTESA-N 1 1 345.447 0.980 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC000948458498 611605760 /nfs/dbraw/zinc/60/57/60/611605760.db2.gz QVVWVRRTVWLGAR-IAQYHMDHSA-N 1 1 340.387 0.668 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C ZINC000947599781 611614259 /nfs/dbraw/zinc/61/42/59/611614259.db2.gz ZJNNSNYYPZPIMT-YPMHNXCESA-N 1 1 342.407 0.300 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3C(=O)OC)CC2)C1 ZINC000949317468 608631753 /nfs/dbraw/zinc/63/17/53/608631753.db2.gz NQNCWGLCIGJDMM-HUUCEWRRSA-N 1 1 334.416 0.512 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3C(=O)OC)CC2)C1 ZINC000949317468 608631757 /nfs/dbraw/zinc/63/17/57/608631757.db2.gz NQNCWGLCIGJDMM-HUUCEWRRSA-N 1 1 334.416 0.512 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC000948546733 611647580 /nfs/dbraw/zinc/64/75/80/611647580.db2.gz GSQGKVYCVOXCQU-OAHLLOKOSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC000949405620 608669764 /nfs/dbraw/zinc/66/97/64/608669764.db2.gz AVOYGHIYPVFYAS-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H]1C ZINC000947441300 608711381 /nfs/dbraw/zinc/71/13/81/608711381.db2.gz HXUMMVXQWOEKHT-ZFWWWQNUSA-N 1 1 338.473 0.804 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000948560807 611654842 /nfs/dbraw/zinc/65/48/42/611654842.db2.gz FUOURWGHQJGFIL-INIZCTEOSA-N 1 1 336.480 0.649 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000948561715 611655407 /nfs/dbraw/zinc/65/54/07/611655407.db2.gz MRTHQIBVMTYZHJ-INIZCTEOSA-N 1 1 336.480 0.649 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933964312 608786014 /nfs/dbraw/zinc/78/60/14/608786014.db2.gz NPEOYXLMBSZOIW-BPQIPLTHSA-N 1 1 332.400 0.982 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933964312 608786015 /nfs/dbraw/zinc/78/60/15/608786015.db2.gz NPEOYXLMBSZOIW-BPQIPLTHSA-N 1 1 332.400 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2coc(C)n2)CC1 ZINC000947229783 608793722 /nfs/dbraw/zinc/79/37/22/608793722.db2.gz HKIGEMKFOMHVFO-INIZCTEOSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2coc(C)n2)CC1 ZINC000947229783 608793725 /nfs/dbraw/zinc/79/37/25/608793725.db2.gz HKIGEMKFOMHVFO-INIZCTEOSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](Cc3nccs3)C2)CC1 ZINC000934332919 608810949 /nfs/dbraw/zinc/81/09/49/608810949.db2.gz MLKGEMRJPYEYSH-HNNXBMFYSA-N 1 1 332.473 0.785 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc3sccn3c2=O)C[C@H]1C ZINC000947514765 608850102 /nfs/dbraw/zinc/85/01/02/608850102.db2.gz AMNUYSLTFGVQEA-VXGBXAGGSA-N 1 1 330.413 0.972 20 30 ECEDMO O=C(NCC#CCO)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000923777632 608928332 /nfs/dbraw/zinc/92/83/32/608928332.db2.gz LJYUCPCLLXDIHN-DLBZAZTESA-N 1 1 331.416 0.164 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)c1 ZINC000077841637 608930031 /nfs/dbraw/zinc/93/00/31/608930031.db2.gz UPYAAIIMJKMGKY-UHFFFAOYSA-N 1 1 342.443 0.749 20 30 ECEDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC#CCO ZINC000923779338 608931968 /nfs/dbraw/zinc/93/19/68/608931968.db2.gz QARMBSGAZNYYFG-INIZCTEOSA-N 1 1 330.432 0.492 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N([C@@H]2CCC[N@H+]3CCSC[C@@H]23)C1=O ZINC000929013289 608984466 /nfs/dbraw/zinc/98/44/66/608984466.db2.gz UAGZQYWYYGWOPV-XQQFMLRXSA-N 1 1 325.434 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cncn2C)CC1 ZINC000947317524 609034897 /nfs/dbraw/zinc/03/48/97/609034897.db2.gz NFCKNSCVBSRWTG-HNNXBMFYSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cncn2C)CC1 ZINC000947317524 609034901 /nfs/dbraw/zinc/03/49/01/609034901.db2.gz NFCKNSCVBSRWTG-HNNXBMFYSA-N 1 1 343.431 0.239 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC#Cc1ccccc1 ZINC000947310374 609124385 /nfs/dbraw/zinc/12/43/85/609124385.db2.gz PXVQKQRFELCHQW-WBVHZDCISA-N 1 1 338.415 0.694 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000932946091 611689498 /nfs/dbraw/zinc/68/94/98/611689498.db2.gz MREFHSJTYAJGAN-CQSZACIVSA-N 1 1 335.429 0.607 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000932946090 611689722 /nfs/dbraw/zinc/68/97/22/611689722.db2.gz MREFHSJTYAJGAN-AWEZNQCLSA-N 1 1 335.429 0.607 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)n3)[C@H](C)C2)nn1 ZINC000947791467 611692488 /nfs/dbraw/zinc/69/24/88/611692488.db2.gz CEMBDRLNRBVMPD-KGLIPLIRSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)n3)[C@H](C)C2)nn1 ZINC000947791467 611692490 /nfs/dbraw/zinc/69/24/90/611692490.db2.gz CEMBDRLNRBVMPD-KGLIPLIRSA-N 1 1 343.435 0.981 20 30 ECEDMO C[C@@H]1C[C@H](C)C[N@H+](CCN2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC000932958557 611693422 /nfs/dbraw/zinc/69/34/22/611693422.db2.gz DYNOEHFUVVKAPO-QXSJWSMHSA-N 1 1 325.478 0.834 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000937910708 609380079 /nfs/dbraw/zinc/38/00/79/609380079.db2.gz YYKYKHZAABEXJD-XQQFMLRXSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000937910708 609380081 /nfs/dbraw/zinc/38/00/81/609380081.db2.gz YYKYKHZAABEXJD-XQQFMLRXSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC000937990696 609449525 /nfs/dbraw/zinc/44/95/25/609449525.db2.gz JQFNBGGPSXXVHO-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC000937990696 609449526 /nfs/dbraw/zinc/44/95/26/609449526.db2.gz JQFNBGGPSXXVHO-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000938170098 609481100 /nfs/dbraw/zinc/48/11/00/609481100.db2.gz DYMRUNFUQQUFNT-XHSDSOJGSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000938170098 609481102 /nfs/dbraw/zinc/48/11/02/609481102.db2.gz DYMRUNFUQQUFNT-XHSDSOJGSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2coc(CC)n2)C1 ZINC000938170820 609482539 /nfs/dbraw/zinc/48/25/39/609482539.db2.gz OHDDZKMKHUJCGZ-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2coc(CC)n2)C1 ZINC000938170820 609482540 /nfs/dbraw/zinc/48/25/40/609482540.db2.gz OHDDZKMKHUJCGZ-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908002943 609634989 /nfs/dbraw/zinc/63/49/89/609634989.db2.gz YMIRVDCNTHGOLD-CABCVRRESA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000908002943 609634991 /nfs/dbraw/zinc/63/49/91/609634991.db2.gz YMIRVDCNTHGOLD-CABCVRRESA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000907999601 609639746 /nfs/dbraw/zinc/63/97/46/609639746.db2.gz AQSCELFMBVRDDZ-HOTGVXAUSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000907999601 609639747 /nfs/dbraw/zinc/63/97/47/609639747.db2.gz AQSCELFMBVRDDZ-HOTGVXAUSA-N 1 1 335.429 0.778 20 30 ECEDMO C=C(CC[NH+](C)C)C(=O)NC1CCN(CC(=O)N(CC)CC)CC1 ZINC000908157916 609645985 /nfs/dbraw/zinc/64/59/85/609645985.db2.gz WOTPLCFSKIIPBF-UHFFFAOYSA-N 1 1 338.496 0.943 20 30 ECEDMO Cc1ncc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1C#N ZINC000919981319 609668013 /nfs/dbraw/zinc/66/80/13/609668013.db2.gz KZHFTYCLSFFDJU-DOMZBBRYSA-N 1 1 337.449 0.174 20 30 ECEDMO Cc1ncc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1C#N ZINC000919981319 609668014 /nfs/dbraw/zinc/66/80/14/609668014.db2.gz KZHFTYCLSFFDJU-DOMZBBRYSA-N 1 1 337.449 0.174 20 30 ECEDMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCC#CCO)C1 ZINC000923761441 609682722 /nfs/dbraw/zinc/68/27/22/609682722.db2.gz RKVSPHHWYBUZNY-KRWDZBQOSA-N 1 1 331.416 0.491 20 30 ECEDMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCC#CCO)C1 ZINC000923761441 609682723 /nfs/dbraw/zinc/68/27/23/609682723.db2.gz RKVSPHHWYBUZNY-KRWDZBQOSA-N 1 1 331.416 0.491 20 30 ECEDMO C=C(C)Cn1c(-c2cnsn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000909316819 609691654 /nfs/dbraw/zinc/69/16/54/609691654.db2.gz NBIAMHHUXTVDOG-GFCCVEGCSA-N 1 1 347.448 0.894 20 30 ECEDMO C=C(C)Cn1c(-c2cnsn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000909316819 609691655 /nfs/dbraw/zinc/69/16/55/609691655.db2.gz NBIAMHHUXTVDOG-GFCCVEGCSA-N 1 1 347.448 0.894 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)c2cnn(CCC#N)c2C)CC[N@H+](C)C1 ZINC000910414014 609720617 /nfs/dbraw/zinc/72/06/17/609720617.db2.gz ZNRKXJRZOIAFGH-CYBMUJFWSA-N 1 1 333.392 0.282 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)c2cnn(CCC#N)c2C)CC[N@@H+](C)C1 ZINC000910414014 609720620 /nfs/dbraw/zinc/72/06/20/609720620.db2.gz ZNRKXJRZOIAFGH-CYBMUJFWSA-N 1 1 333.392 0.282 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000947760827 609732391 /nfs/dbraw/zinc/73/23/91/609732391.db2.gz AFRSEHVHKWSHAU-KBPBESRZSA-N 1 1 348.447 0.633 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000948848814 609768416 /nfs/dbraw/zinc/76/84/16/609768416.db2.gz GZQSIZAHZSJKKY-LSDHHAIUSA-N 1 1 343.493 0.909 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1[nH]c2ccccc2c1C#N ZINC000913684527 609811198 /nfs/dbraw/zinc/81/11/98/609811198.db2.gz ZEBJGMAWOCTBSY-UHFFFAOYSA-N 1 1 339.399 0.886 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(CCC#N)CC2)C1 ZINC000913760822 609820153 /nfs/dbraw/zinc/82/01/53/609820153.db2.gz RBTQUAALMMMMOT-HNNXBMFYSA-N 1 1 336.436 0.319 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000938540600 609858870 /nfs/dbraw/zinc/85/88/70/609858870.db2.gz YYZQTPXJSYZMHP-NVXWUHKLSA-N 1 1 340.427 0.688 20 30 ECEDMO C[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000914307645 609876780 /nfs/dbraw/zinc/87/67/80/609876780.db2.gz GWQYGSFTMDKDIC-CABCVRRESA-N 1 1 342.509 0.824 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3csc(C#N)c3)[C@H]2C1 ZINC000915432492 609912323 /nfs/dbraw/zinc/91/23/23/609912323.db2.gz UHHFXEDDPGEBFR-UONOGXRCSA-N 1 1 341.458 0.854 20 30 ECEDMO C=C(C)CNC(=S)NC[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000916017529 609928997 /nfs/dbraw/zinc/92/89/97/609928997.db2.gz DGSNJKZGDOPHPZ-OAHLLOKOSA-N 1 1 326.510 0.681 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cs1 ZINC000917065948 609960446 /nfs/dbraw/zinc/96/04/46/609960446.db2.gz CQEJZEOCJBLHIG-ZDUSSCGKSA-N 1 1 340.474 0.429 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cs1 ZINC000917065948 609960447 /nfs/dbraw/zinc/96/04/47/609960447.db2.gz CQEJZEOCJBLHIG-ZDUSSCGKSA-N 1 1 340.474 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC000938848748 609980634 /nfs/dbraw/zinc/98/06/34/609980634.db2.gz XYIMCQRBFPDKDE-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC000938848748 609980636 /nfs/dbraw/zinc/98/06/36/609980636.db2.gz XYIMCQRBFPDKDE-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2coc(C)n2)C1 ZINC000938756166 609982080 /nfs/dbraw/zinc/98/20/80/609982080.db2.gz JENFTFGVTWAABE-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2coc(C)n2)C1 ZINC000938756166 609982081 /nfs/dbraw/zinc/98/20/81/609982081.db2.gz JENFTFGVTWAABE-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cn(C)cn2)C1 ZINC000938756724 609982745 /nfs/dbraw/zinc/98/27/45/609982745.db2.gz WKMCBFHIMBJWPP-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cn(C)cn2)C1 ZINC000938756724 609982748 /nfs/dbraw/zinc/98/27/48/609982748.db2.gz WKMCBFHIMBJWPP-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C[N@@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H](CO)C1 ZINC000912741390 609996769 /nfs/dbraw/zinc/99/67/69/609996769.db2.gz UBAPSVJJBONYKN-OAHLLOKOSA-N 1 1 344.415 0.802 20 30 ECEDMO C[N@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H](CO)C1 ZINC000912741390 609996771 /nfs/dbraw/zinc/99/67/71/609996771.db2.gz UBAPSVJJBONYKN-OAHLLOKOSA-N 1 1 344.415 0.802 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000919296837 610038747 /nfs/dbraw/zinc/03/87/47/610038747.db2.gz LJBUOXAWHNVIML-HOTGVXAUSA-N 1 1 345.447 0.276 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cncc(C)c2)C1 ZINC000939860823 610148388 /nfs/dbraw/zinc/14/83/88/610148388.db2.gz KGCKADWJGZKYBN-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cncc(C)c2)C1 ZINC000939860823 610148390 /nfs/dbraw/zinc/14/83/90/610148390.db2.gz KGCKADWJGZKYBN-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000940098644 610207987 /nfs/dbraw/zinc/20/79/87/610207987.db2.gz DLGQXOQXDOGGNA-VNQPRFMTSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(C)nnc3C)CC2)C1 ZINC000941421899 610307342 /nfs/dbraw/zinc/30/73/42/610307342.db2.gz CVKIGVYIQRTRIO-UHFFFAOYSA-N 1 1 327.432 0.559 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)CC2)C1 ZINC000941423493 610308130 /nfs/dbraw/zinc/30/81/30/610308130.db2.gz ZYERJDQMPOUFIJ-HNNXBMFYSA-N 1 1 331.464 0.842 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1 ZINC000941444435 610309370 /nfs/dbraw/zinc/30/93/70/610309370.db2.gz MFXJUCOLJSPASO-HZPDHXFCSA-N 1 1 327.432 0.365 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000940596002 610310211 /nfs/dbraw/zinc/31/02/11/610310211.db2.gz FLQYABKUNTXOIZ-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000940596002 610310213 /nfs/dbraw/zinc/31/02/13/610310213.db2.gz FLQYABKUNTXOIZ-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940688342 610330963 /nfs/dbraw/zinc/33/09/63/610330963.db2.gz ZIWYLVNPNLRFEG-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940689902 610331830 /nfs/dbraw/zinc/33/18/30/610331830.db2.gz SGTOIPCEIIGHIV-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)C1 ZINC000941464386 610333489 /nfs/dbraw/zinc/33/34/89/610333489.db2.gz IARMCLLEGPECCI-INIZCTEOSA-N 1 1 341.459 0.297 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000941464387 610333609 /nfs/dbraw/zinc/33/36/09/610333609.db2.gz IARMCLLEGPECCI-MRXNPFEDSA-N 1 1 341.459 0.297 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000941464875 610333892 /nfs/dbraw/zinc/33/38/92/610333892.db2.gz AWYKPTABHVCQPJ-VVLHAWIVSA-N 1 1 345.443 0.037 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000941464875 610333893 /nfs/dbraw/zinc/33/38/93/610333893.db2.gz AWYKPTABHVCQPJ-VVLHAWIVSA-N 1 1 345.443 0.037 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)CC2)C1 ZINC000941531657 610363082 /nfs/dbraw/zinc/36/30/82/610363082.db2.gz CRJZAQGNZQGXTM-INIZCTEOSA-N 1 1 334.464 0.400 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941531601 610363167 /nfs/dbraw/zinc/36/31/67/610363167.db2.gz AKWATDCGGBGIQD-SFHVURJKSA-N 1 1 346.519 0.960 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](C)c3cncnc3)CC2)C1 ZINC000941533796 610365059 /nfs/dbraw/zinc/36/50/59/610365059.db2.gz IKVZLGGIQFUAML-OAHLLOKOSA-N 1 1 329.448 0.985 20 30 ECEDMO C=C(C)CC[NH+]1CC(N2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC000941547044 610370855 /nfs/dbraw/zinc/37/08/55/610370855.db2.gz HQACZXJTUQGRSO-UHFFFAOYSA-N 1 1 333.436 0.534 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc3ncc(C)cn3n2)C(C)(C)C1 ZINC000940826862 610384473 /nfs/dbraw/zinc/38/44/73/610384473.db2.gz UJAXVWRKURJLFL-ZDUSSCGKSA-N 1 1 326.404 0.896 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C(C)(C)C1 ZINC000940842206 610395884 /nfs/dbraw/zinc/39/58/84/610395884.db2.gz ABBQNNQJTXYHFF-INIZCTEOSA-N 1 1 342.443 0.963 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603701 610403207 /nfs/dbraw/zinc/40/32/07/610403207.db2.gz MJKUVHMNAXSDOV-PKOBYXMFSA-N 1 1 344.503 0.855 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000942343475 610412857 /nfs/dbraw/zinc/41/28/57/610412857.db2.gz ZRXGFPXGWISUDL-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000942343475 610412859 /nfs/dbraw/zinc/41/28/59/610412859.db2.gz ZRXGFPXGWISUDL-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3cnn(C)c3)CC2)C1 ZINC000941627651 610416373 /nfs/dbraw/zinc/41/63/73/610416373.db2.gz JADUXJATRZKHHI-UHFFFAOYSA-N 1 1 343.475 0.549 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC000941632373 610418164 /nfs/dbraw/zinc/41/81/64/610418164.db2.gz CQRPYQCEKVKRAN-UHFFFAOYSA-N 1 1 327.432 0.261 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(CC)c[nH]c3=O)CC2)C1 ZINC000941620411 610425443 /nfs/dbraw/zinc/42/54/43/610425443.db2.gz GMYQHGJXJIDMNS-UHFFFAOYSA-N 1 1 330.432 0.978 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000940911318 610429393 /nfs/dbraw/zinc/42/93/93/610429393.db2.gz AMNCYDSKQJBPSK-UONOGXRCSA-N 1 1 329.404 0.215 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](C)C1 ZINC000942391920 610433331 /nfs/dbraw/zinc/43/33/31/610433331.db2.gz HKUPGMMRNNKGIX-GJZGRUSLSA-N 1 1 348.447 0.906 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000942431096 610456065 /nfs/dbraw/zinc/45/60/65/610456065.db2.gz FCYGOYHQCAXEGV-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC000942431589 610456680 /nfs/dbraw/zinc/45/66/80/610456680.db2.gz JLZADZSZKXVRRP-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c(C)nn4cccnc34)CC2)C1 ZINC000941668627 610459417 /nfs/dbraw/zinc/45/94/17/610459417.db2.gz QVNRIWDODNNATR-UHFFFAOYSA-N 1 1 340.431 0.666 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)N3CCCC3=O)CC2)C1 ZINC000941684815 610462637 /nfs/dbraw/zinc/46/26/37/610462637.db2.gz ADRGMBQCDTWYPB-SFHVURJKSA-N 1 1 348.491 0.648 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C(C)(C)C2)cc1C#N ZINC000940994683 610475035 /nfs/dbraw/zinc/47/50/35/610475035.db2.gz XZMZPRNPFRKCQK-OAHLLOKOSA-N 1 1 344.415 0.769 20 30 ECEDMO O=C(C#CC1CC1)N1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000940999743 610478155 /nfs/dbraw/zinc/47/81/55/610478155.db2.gz RBRAKMVQBUFHRR-IAGOWNOFSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H](C)C1 ZINC000942527296 610499714 /nfs/dbraw/zinc/49/97/14/610499714.db2.gz KFEOJDSCSHDVIN-WCQYABFASA-N 1 1 327.388 0.404 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1 ZINC000941029048 610505138 /nfs/dbraw/zinc/50/51/38/610505138.db2.gz RBGFCBBNXQXTLP-OWCLPIDISA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@@H](C)C1 ZINC000942557654 610510800 /nfs/dbraw/zinc/51/08/00/610510800.db2.gz KTEQOCCBDDIWPM-GJZGRUSLSA-N 1 1 330.436 0.792 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 ZINC000941068122 610524449 /nfs/dbraw/zinc/52/44/49/610524449.db2.gz NGPNINIMJXZNJH-WDEREUQCSA-N 1 1 342.827 0.554 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 ZINC000941068122 610524452 /nfs/dbraw/zinc/52/44/52/610524452.db2.gz NGPNINIMJXZNJH-WDEREUQCSA-N 1 1 342.827 0.554 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000941090242 610531413 /nfs/dbraw/zinc/53/14/13/610531413.db2.gz ASCOGIITRAUJHO-VMBJYNEYSA-N 1 1 334.420 0.377 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]2C)c1 ZINC000942614210 610538416 /nfs/dbraw/zinc/53/84/16/610538416.db2.gz CFHPJLKANBVYAA-CXAGYDPISA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C[C@@H]2C)c1 ZINC000942616380 610538607 /nfs/dbraw/zinc/53/86/07/610538607.db2.gz LJWWUWGRNSJRBB-XJKSGUPXSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CCS(C)(=O)=O)C[C@@H]2C)c1 ZINC000942616380 610538610 /nfs/dbraw/zinc/53/86/10/610538610.db2.gz LJWWUWGRNSJRBB-XJKSGUPXSA-N 1 1 349.456 0.548 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)C(C)(C)C1 ZINC000941123627 610554206 /nfs/dbraw/zinc/55/42/06/610554206.db2.gz JNKIMVNILYLFGX-OAHLLOKOSA-N 1 1 330.432 0.710 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000941969925 610583023 /nfs/dbraw/zinc/58/30/23/610583023.db2.gz DEYGFTCHKBGYQC-DLBZAZTESA-N 1 1 325.412 0.950 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941963366 610586371 /nfs/dbraw/zinc/58/63/71/610586371.db2.gz KPFATZQYPAXNSH-NHYWBVRUSA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964868 610587036 /nfs/dbraw/zinc/58/70/36/610587036.db2.gz VAIBXFNSFUBZIN-WFASDCNBSA-N 1 1 327.392 0.618 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966561 610588159 /nfs/dbraw/zinc/58/81/59/610588159.db2.gz MIAVAHMVONBFDZ-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccns2)C1 ZINC000941241974 610614632 /nfs/dbraw/zinc/61/46/32/610614632.db2.gz PNHPWGCTLXZNLJ-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccns2)C1 ZINC000941241974 610614634 /nfs/dbraw/zinc/61/46/34/610614634.db2.gz PNHPWGCTLXZNLJ-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2OC)CC[N@H+]1C ZINC000942008825 610616422 /nfs/dbraw/zinc/61/64/22/610616422.db2.gz CIHYNJIFUCDIKU-YLFCFFPRSA-N 1 1 347.459 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cscn2)C1 ZINC000941238003 610621415 /nfs/dbraw/zinc/62/14/15/610621415.db2.gz PGDSVNSXTYOGGA-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cscn2)C1 ZINC000941238003 610621418 /nfs/dbraw/zinc/62/14/18/610621418.db2.gz PGDSVNSXTYOGGA-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942056241 610634392 /nfs/dbraw/zinc/63/43/92/610634392.db2.gz FLYSPUWFIDSLBP-XJKSGUPXSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](C)C1 ZINC000942080375 610640982 /nfs/dbraw/zinc/64/09/82/610640982.db2.gz XTMFXBNGIAOZJG-KBPBESRZSA-N 1 1 332.452 0.821 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000942099903 610650705 /nfs/dbraw/zinc/65/07/05/610650705.db2.gz MNZSEXUXBQYHFL-GJZGRUSLSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 ZINC000942201534 610694303 /nfs/dbraw/zinc/69/43/03/610694303.db2.gz XJHMTIIXMBGYQK-CMPLNLGQSA-N 1 1 327.816 0.161 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 ZINC000942201534 610694305 /nfs/dbraw/zinc/69/43/05/610694305.db2.gz XJHMTIIXMBGYQK-CMPLNLGQSA-N 1 1 327.816 0.161 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 ZINC000944155334 610770076 /nfs/dbraw/zinc/77/00/76/610770076.db2.gz MZMAXBCFRDDJMD-NEPJUHHUSA-N 1 1 330.392 0.434 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C[C@@H]2C)nc1 ZINC000944193504 610776425 /nfs/dbraw/zinc/77/64/25/610776425.db2.gz WOCVFLCEDCNTHC-XJKSGUPXSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1C ZINC000944214164 610786408 /nfs/dbraw/zinc/78/64/08/610786408.db2.gz ISBOESJULCZQOH-ZFWWWQNUSA-N 1 1 344.415 0.280 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@@H]1C ZINC000944214164 610786409 /nfs/dbraw/zinc/78/64/09/610786409.db2.gz ISBOESJULCZQOH-ZFWWWQNUSA-N 1 1 344.415 0.280 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)OC)CC2 ZINC000944877474 610824588 /nfs/dbraw/zinc/82/45/88/610824588.db2.gz QXNDSIIOSBLNJJ-CVEARBPZSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)OC)CC2 ZINC000944877474 610824589 /nfs/dbraw/zinc/82/45/89/610824589.db2.gz QXNDSIIOSBLNJJ-CVEARBPZSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2cnco2)C1 ZINC000943397015 610835151 /nfs/dbraw/zinc/83/51/51/610835151.db2.gz QQRGXKGXJBZCLL-CABCVRRESA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2cnco2)C1 ZINC000943397015 610835154 /nfs/dbraw/zinc/83/51/54/610835154.db2.gz QQRGXKGXJBZCLL-CABCVRRESA-N 1 1 344.415 0.883 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC000944949522 610853348 /nfs/dbraw/zinc/85/33/48/610853348.db2.gz WNEMZRVZAWUXCV-RBSFLKMASA-N 1 1 332.448 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccccn2)CC1 ZINC000943606686 610910884 /nfs/dbraw/zinc/91/08/84/610910884.db2.gz CBBANFGRMHKKMZ-KRWDZBQOSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccccn2)CC1 ZINC000943606686 610910887 /nfs/dbraw/zinc/91/08/87/610910887.db2.gz CBBANFGRMHKKMZ-KRWDZBQOSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000945195955 610947149 /nfs/dbraw/zinc/94/71/49/610947149.db2.gz QTEDHTPCDVBIIB-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000945195955 610947150 /nfs/dbraw/zinc/94/71/50/610947150.db2.gz QTEDHTPCDVBIIB-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 ZINC000944657122 611054160 /nfs/dbraw/zinc/05/41/60/611054160.db2.gz XSKDDGJIQMDEJT-QWHCGFSZSA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCO1 ZINC000944645802 611054957 /nfs/dbraw/zinc/05/49/57/611054957.db2.gz ZGDGFOKYPPGHCT-FPCVCCKLSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCO1 ZINC000944645802 611054958 /nfs/dbraw/zinc/05/49/58/611054958.db2.gz ZGDGFOKYPPGHCT-FPCVCCKLSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1nccs1 ZINC000944099424 611131510 /nfs/dbraw/zinc/13/15/10/611131510.db2.gz JUKUULZBNNHAKX-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1nccs1 ZINC000944099424 611131511 /nfs/dbraw/zinc/13/15/11/611131511.db2.gz JUKUULZBNNHAKX-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC000944100773 611131724 /nfs/dbraw/zinc/13/17/24/611131724.db2.gz OELJSRBWQWQAOB-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC000944100773 611131726 /nfs/dbraw/zinc/13/17/26/611131726.db2.gz OELJSRBWQWQAOB-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)CC[C@@H]2C1 ZINC000946878666 611217805 /nfs/dbraw/zinc/21/78/05/611217805.db2.gz VUIKCNPQIVNERK-FGTMMUONSA-N 1 1 347.459 0.427 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC[C@@H]2C1 ZINC000946892937 611232449 /nfs/dbraw/zinc/23/24/49/611232449.db2.gz SPGLBPNWMBGFAD-OKILXGFUSA-N 1 1 328.416 0.921 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](C)O)C[C@H]3CC2)CC1 ZINC000946902232 611245097 /nfs/dbraw/zinc/24/50/97/611245097.db2.gz LRSMFZRRZYVLQT-QRQLOZEOSA-N 1 1 347.503 0.883 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]3CC2)CC1 ZINC000946902232 611245098 /nfs/dbraw/zinc/24/50/98/611245098.db2.gz LRSMFZRRZYVLQT-QRQLOZEOSA-N 1 1 347.503 0.883 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](C)O)C[C@H]3CC2)CC1 ZINC000946902232 611245099 /nfs/dbraw/zinc/24/50/99/611245099.db2.gz LRSMFZRRZYVLQT-QRQLOZEOSA-N 1 1 347.503 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)NC(=O)COC(C)(C)C)C1 ZINC000923553596 611259802 /nfs/dbraw/zinc/25/98/02/611259802.db2.gz LFWOXPSZQNUCML-CQSZACIVSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)NC(=O)COC(C)(C)C)C1 ZINC000923553596 611259803 /nfs/dbraw/zinc/25/98/03/611259803.db2.gz LFWOXPSZQNUCML-CQSZACIVSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)NC(=O)COC(C)(C)C)C1 ZINC000923553595 611259890 /nfs/dbraw/zinc/25/98/90/611259890.db2.gz LFWOXPSZQNUCML-AWEZNQCLSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)NC(=O)COC(C)(C)C)C1 ZINC000923553595 611259891 /nfs/dbraw/zinc/25/98/91/611259891.db2.gz LFWOXPSZQNUCML-AWEZNQCLSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccnc(N3CCOCC3)n2)C1 ZINC000923549574 611260000 /nfs/dbraw/zinc/26/00/00/611260000.db2.gz MMBBKLXOLQZPOG-CQSZACIVSA-N 1 1 329.404 0.141 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(N3CCOCC3)n2)C1 ZINC000923549574 611260002 /nfs/dbraw/zinc/26/00/02/611260002.db2.gz MMBBKLXOLQZPOG-CQSZACIVSA-N 1 1 329.404 0.141 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(OC)c(OCCO)c2)C1 ZINC000923562572 611263019 /nfs/dbraw/zinc/26/30/19/611263019.db2.gz ZWQSBVKDHOIAJY-HNNXBMFYSA-N 1 1 332.400 0.894 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC)c(OCCO)c2)C1 ZINC000923562572 611263020 /nfs/dbraw/zinc/26/30/20/611263020.db2.gz ZWQSBVKDHOIAJY-HNNXBMFYSA-N 1 1 332.400 0.894 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)C1 ZINC000923563624 611263345 /nfs/dbraw/zinc/26/33/45/611263345.db2.gz IKUNWPSMSQKPGO-KGLIPLIRSA-N 1 1 328.420 0.777 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)C1 ZINC000923563624 611263346 /nfs/dbraw/zinc/26/33/46/611263346.db2.gz IKUNWPSMSQKPGO-KGLIPLIRSA-N 1 1 328.420 0.777 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)ccc2S(N)(=O)=O)C1 ZINC000923564678 611264089 /nfs/dbraw/zinc/26/40/89/611264089.db2.gz BMAJANLKBNTTGZ-ZDUSSCGKSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)ccc2S(N)(=O)=O)C1 ZINC000923564678 611264090 /nfs/dbraw/zinc/26/40/90/611264090.db2.gz BMAJANLKBNTTGZ-ZDUSSCGKSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2cccc(OCC(=O)NC)c2)C1 ZINC000923572532 611265243 /nfs/dbraw/zinc/26/52/43/611265243.db2.gz YCJRMKSMVPFMNG-MRXNPFEDSA-N 1 1 343.427 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc(OCC(=O)NC)c2)C1 ZINC000923572532 611265244 /nfs/dbraw/zinc/26/52/44/611265244.db2.gz YCJRMKSMVPFMNG-MRXNPFEDSA-N 1 1 343.427 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000923589640 611270423 /nfs/dbraw/zinc/27/04/23/611270423.db2.gz IYMGVHDPADERDR-CYBMUJFWSA-N 1 1 325.368 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000923589640 611270425 /nfs/dbraw/zinc/27/04/25/611270425.db2.gz IYMGVHDPADERDR-CYBMUJFWSA-N 1 1 325.368 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)C1 ZINC000923594011 611275245 /nfs/dbraw/zinc/27/52/45/611275245.db2.gz FNCINJYERDPGNQ-FZKQIMNGSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)C1 ZINC000923594011 611275246 /nfs/dbraw/zinc/27/52/46/611275246.db2.gz FNCINJYERDPGNQ-FZKQIMNGSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC000946934274 611278193 /nfs/dbraw/zinc/27/81/93/611278193.db2.gz BLVGINOZJMUXHY-KRWDZBQOSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC000946934274 611278194 /nfs/dbraw/zinc/27/81/94/611278194.db2.gz BLVGINOZJMUXHY-KRWDZBQOSA-N 1 1 342.443 0.762 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000946512494 611293539 /nfs/dbraw/zinc/29/35/39/611293539.db2.gz NUPXGQJXRVEBFJ-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]2CC1 ZINC000946521550 611298905 /nfs/dbraw/zinc/29/89/05/611298905.db2.gz VOFJJPWYXYZXOT-JONQDZQNSA-N 1 1 332.448 0.937 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000834795971 611301725 /nfs/dbraw/zinc/30/17/25/611301725.db2.gz HVUADTRQYVZWHT-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]3CC2)[nH]1 ZINC000946558471 611319228 /nfs/dbraw/zinc/31/92/28/611319228.db2.gz GPNWCESJZIKZTO-DVOMOZLQSA-N 1 1 341.415 0.559 20 30 ECEDMO C[N@@H+](CCNC(=O)c1cc(C#N)ccc1Cl)CCOCCO ZINC000922115429 611336480 /nfs/dbraw/zinc/33/64/80/611336480.db2.gz BPDYBXXKTAHSGX-UHFFFAOYSA-N 1 1 325.796 0.882 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC000947900793 611735929 /nfs/dbraw/zinc/73/59/29/611735929.db2.gz WPFZDQPJDOVMFJ-ZIAGYGMSSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000948957228 611769751 /nfs/dbraw/zinc/76/97/51/611769751.db2.gz CVNGLVHOUJNHKC-YESZJQIVSA-N 1 1 343.427 0.921 20 30 ECEDMO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000948957228 611769754 /nfs/dbraw/zinc/76/97/54/611769754.db2.gz CVNGLVHOUJNHKC-YESZJQIVSA-N 1 1 343.427 0.921 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)c1cn(C)nn1)CCO2 ZINC000949086517 611847731 /nfs/dbraw/zinc/84/77/31/611847731.db2.gz JQQUMEPECMLVNW-UHFFFAOYSA-N 1 1 339.827 0.875 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)COC1CCCC1 ZINC000950752500 611888663 /nfs/dbraw/zinc/88/86/63/611888663.db2.gz BEYLMXRUVHMDKW-WBVHZDCISA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)COC1CCCC1 ZINC000950752500 611888666 /nfs/dbraw/zinc/88/86/66/611888666.db2.gz BEYLMXRUVHMDKW-WBVHZDCISA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCn1cccn1 ZINC000950753112 611888901 /nfs/dbraw/zinc/88/89/01/611888901.db2.gz GZXDIKOFIOOOTK-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCn1cccn1 ZINC000950753112 611888902 /nfs/dbraw/zinc/88/89/02/611888902.db2.gz GZXDIKOFIOOOTK-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000950755202 611890625 /nfs/dbraw/zinc/89/06/25/611890625.db2.gz GOYPNMRBKKKCGZ-HOTGVXAUSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000950755202 611890627 /nfs/dbraw/zinc/89/06/27/611890627.db2.gz GOYPNMRBKKKCGZ-HOTGVXAUSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(OC)o1 ZINC000950755057 611890867 /nfs/dbraw/zinc/89/08/67/611890867.db2.gz CGHMIUAQBLEGPW-KBPBESRZSA-N 1 1 345.399 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(OC)o1 ZINC000950755057 611890868 /nfs/dbraw/zinc/89/08/68/611890868.db2.gz CGHMIUAQBLEGPW-KBPBESRZSA-N 1 1 345.399 0.717 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cccnc1C ZINC000950755144 611890906 /nfs/dbraw/zinc/89/09/06/611890906.db2.gz FBNRCYLDCKQCIW-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cccnc1C ZINC000950755144 611890907 /nfs/dbraw/zinc/89/09/07/611890907.db2.gz FBNRCYLDCKQCIW-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1cnoc1 ZINC000950755094 611890945 /nfs/dbraw/zinc/89/09/45/611890945.db2.gz CZRYRZLCSXGULB-GJZGRUSLSA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1cnoc1 ZINC000950755094 611890946 /nfs/dbraw/zinc/89/09/46/611890946.db2.gz CZRYRZLCSXGULB-GJZGRUSLSA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(=O)[nH]c1 ZINC000950755947 611891844 /nfs/dbraw/zinc/89/18/44/611891844.db2.gz YLXKIWNLAUTHKZ-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(=O)[nH]c1 ZINC000950755947 611891845 /nfs/dbraw/zinc/89/18/45/611891845.db2.gz YLXKIWNLAUTHKZ-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)no1 ZINC000950763982 611896138 /nfs/dbraw/zinc/89/61/38/611896138.db2.gz FZHJSAASEXAMDC-CQSZACIVSA-N 1 1 344.415 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ncoc2C)C1 ZINC000950179056 611896428 /nfs/dbraw/zinc/89/64/28/611896428.db2.gz IJQWHEOPNCDPQL-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ncoc2C)C1 ZINC000950179056 611896429 /nfs/dbraw/zinc/89/64/29/611896429.db2.gz IJQWHEOPNCDPQL-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ncoc2C)C1 ZINC000950179057 611896458 /nfs/dbraw/zinc/89/64/58/611896458.db2.gz IJQWHEOPNCDPQL-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ncoc2C)C1 ZINC000950179057 611896460 /nfs/dbraw/zinc/89/64/60/611896460.db2.gz IJQWHEOPNCDPQL-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCc3[nH]nnc3C1)CCO2 ZINC000949226390 611908285 /nfs/dbraw/zinc/90/82/85/611908285.db2.gz GNYUYPAJUMRIMP-CQSZACIVSA-N 1 1 345.447 0.789 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCc3nn[nH]c3C1)CCO2 ZINC000949226390 611908287 /nfs/dbraw/zinc/90/82/87/611908287.db2.gz GNYUYPAJUMRIMP-CQSZACIVSA-N 1 1 345.447 0.789 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC000950235187 611920189 /nfs/dbraw/zinc/92/01/89/611920189.db2.gz LLHSUIFPMHEEEC-OAGGEKHMSA-N 1 1 346.431 0.890 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1)C1CCC1 ZINC000949298167 611931541 /nfs/dbraw/zinc/93/15/41/611931541.db2.gz KLKZEECVMGYUGL-CQSZACIVSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CCn1cccn1)CCO2 ZINC000949320507 611937817 /nfs/dbraw/zinc/93/78/17/611937817.db2.gz ORIINJGTFHVUAM-HNNXBMFYSA-N 1 1 331.420 0.736 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CCn1cccn1)CCO2 ZINC000949320507 611937818 /nfs/dbraw/zinc/93/78/18/611937818.db2.gz ORIINJGTFHVUAM-HNNXBMFYSA-N 1 1 331.420 0.736 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3nccnc3N)CC2)C1 ZINC000949322707 611938678 /nfs/dbraw/zinc/93/86/78/611938678.db2.gz BBUYUGJEFVFACF-UHFFFAOYSA-N 1 1 329.404 0.389 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3nccnc3N)CC2)C1 ZINC000949322707 611938681 /nfs/dbraw/zinc/93/86/81/611938681.db2.gz BBUYUGJEFVFACF-UHFFFAOYSA-N 1 1 329.404 0.389 20 30 ECEDMO C[C@H](O)C[N@H+]1CCOC2(CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000949332709 611941773 /nfs/dbraw/zinc/94/17/73/611941773.db2.gz RRLMVPHEOYRNFM-ZDUSSCGKSA-N 1 1 332.404 0.574 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950862576 611951195 /nfs/dbraw/zinc/95/11/95/611951195.db2.gz JHCBLWQJBAIEER-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000950866262 611954377 /nfs/dbraw/zinc/95/43/77/611954377.db2.gz KHNFRPNHULSFKV-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3COCCN3CC)CC2)C1 ZINC000949401633 611966029 /nfs/dbraw/zinc/96/60/29/611966029.db2.gz ICWZAODEDPHTQZ-KRWDZBQOSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CN3CCCNC3=O)CC2)C1 ZINC000949405793 611967414 /nfs/dbraw/zinc/96/74/14/611967414.db2.gz JPOXPFHYEXILMU-UHFFFAOYSA-N 1 1 348.447 0.118 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC000949427292 611975793 /nfs/dbraw/zinc/97/57/93/611975793.db2.gz JHUTUBOADKIBNO-MRXNPFEDSA-N 1 1 347.459 0.619 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC000949427292 611975794 /nfs/dbraw/zinc/97/57/94/611975794.db2.gz JHUTUBOADKIBNO-MRXNPFEDSA-N 1 1 347.459 0.619 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949446994 611983692 /nfs/dbraw/zinc/98/36/92/611983692.db2.gz JDZKCFIZCUVPFU-GOSISDBHSA-N 1 1 347.459 0.619 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949446994 611983693 /nfs/dbraw/zinc/98/36/93/611983693.db2.gz JDZKCFIZCUVPFU-GOSISDBHSA-N 1 1 347.459 0.619 20 30 ECEDMO CC#CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000949471000 611991752 /nfs/dbraw/zinc/99/17/52/611991752.db2.gz NNRVZSSTXVXCKH-IAGOWNOFSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cn3ccc(C)n3)CC2)C1 ZINC000949474667 611993104 /nfs/dbraw/zinc/99/31/04/611993104.db2.gz GKIRGGTUXNNPRA-UHFFFAOYSA-N 1 1 330.432 0.908 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC000949517299 612017934 /nfs/dbraw/zinc/01/79/34/612017934.db2.gz DLEZKPBWBCCIFL-ZBFHGGJFSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC000949517299 612017936 /nfs/dbraw/zinc/01/79/36/612017936.db2.gz DLEZKPBWBCCIFL-ZBFHGGJFSA-N 1 1 344.390 0.649 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)C1 ZINC000949537044 612025396 /nfs/dbraw/zinc/02/53/96/612025396.db2.gz XJWQXKPFXOCBQS-AWEZNQCLSA-N 1 1 349.431 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000951223938 612088770 /nfs/dbraw/zinc/08/87/70/612088770.db2.gz TYMGXRACYFFGQC-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000951223938 612088771 /nfs/dbraw/zinc/08/87/71/612088771.db2.gz TYMGXRACYFFGQC-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000952012683 612176126 /nfs/dbraw/zinc/17/61/26/612176126.db2.gz XIMMTZNBIACGMN-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000953138294 612178616 /nfs/dbraw/zinc/17/86/16/612178616.db2.gz UZJGNXCULKKGLX-KXBFYZLASA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000953138294 612178617 /nfs/dbraw/zinc/17/86/17/612178617.db2.gz UZJGNXCULKKGLX-KXBFYZLASA-N 1 1 349.475 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CCC[C@H]2C)cn1 ZINC000951386124 612199198 /nfs/dbraw/zinc/19/91/98/612199198.db2.gz VERJOAHQMPKLTP-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2occc2C)C1 ZINC000955262087 612391060 /nfs/dbraw/zinc/39/10/60/612391060.db2.gz JFEITVCIFKUGSY-INIZCTEOSA-N 1 1 343.427 0.897 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2occc2C)C1 ZINC000955262087 612391062 /nfs/dbraw/zinc/39/10/62/612391062.db2.gz JFEITVCIFKUGSY-INIZCTEOSA-N 1 1 343.427 0.897 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000952407517 612412961 /nfs/dbraw/zinc/41/29/61/612412961.db2.gz JYUVIEITXKJNSL-IAQYHMDHSA-N 1 1 340.387 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnn(CC)c2)C1 ZINC000953919188 612444070 /nfs/dbraw/zinc/44/40/70/612444070.db2.gz DCRFZPDRCODPLU-INIZCTEOSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnn(CC)c2)C1 ZINC000953919188 612444074 /nfs/dbraw/zinc/44/40/74/612444074.db2.gz DCRFZPDRCODPLU-INIZCTEOSA-N 1 1 343.431 0.283 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1)C2 ZINC000955342049 612466610 /nfs/dbraw/zinc/46/66/10/612466610.db2.gz KHFFFSPOGOEIMS-DGCLKSJQSA-N 1 1 329.404 0.583 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1)C2 ZINC000955342050 612467300 /nfs/dbraw/zinc/46/73/00/612467300.db2.gz KHFFFSPOGOEIMS-WCQYABFASA-N 1 1 329.404 0.583 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cccn2C)C1 ZINC000954630610 612467575 /nfs/dbraw/zinc/46/75/75/612467575.db2.gz DYPZDHUSABEZKD-INIZCTEOSA-N 1 1 328.416 0.406 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cccn2C)C1 ZINC000954630610 612467578 /nfs/dbraw/zinc/46/75/78/612467578.db2.gz DYPZDHUSABEZKD-INIZCTEOSA-N 1 1 328.416 0.406 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccn(CC)n2)C1 ZINC000954630634 612468162 /nfs/dbraw/zinc/46/81/62/612468162.db2.gz FPVQXQSHVJCSFQ-INIZCTEOSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccn(CC)n2)C1 ZINC000954630634 612468166 /nfs/dbraw/zinc/46/81/66/612468166.db2.gz FPVQXQSHVJCSFQ-INIZCTEOSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)COC2CCCC2)C1 ZINC000954631266 612468918 /nfs/dbraw/zinc/46/89/18/612468918.db2.gz UEESVVWQOSLPDN-KRWDZBQOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)COC2CCCC2)C1 ZINC000954631266 612468920 /nfs/dbraw/zinc/46/89/20/612468920.db2.gz UEESVVWQOSLPDN-KRWDZBQOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)n2cccn2)C1 ZINC000954630885 612468933 /nfs/dbraw/zinc/46/89/33/612468933.db2.gz NXJXTABTTWAGTR-HOCLYGCPSA-N 1 1 343.431 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)n2cccn2)C1 ZINC000954630885 612468936 /nfs/dbraw/zinc/46/89/36/612468936.db2.gz NXJXTABTTWAGTR-HOCLYGCPSA-N 1 1 343.431 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)on2)C1 ZINC000954631178 612469589 /nfs/dbraw/zinc/46/95/89/612469589.db2.gz RIYRPERTULPQGF-HNNXBMFYSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)on2)C1 ZINC000954631178 612469594 /nfs/dbraw/zinc/46/95/94/612469594.db2.gz RIYRPERTULPQGF-HNNXBMFYSA-N 1 1 330.388 0.363 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000955348775 612479355 /nfs/dbraw/zinc/47/93/55/612479355.db2.gz CSVGJGSTOGHSAK-SMDDNHRTSA-N 1 1 329.404 0.367 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955364712 612502928 /nfs/dbraw/zinc/50/29/28/612502928.db2.gz RDLFDTNENAFMJF-IMJJTQAJSA-N 1 1 335.448 0.589 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000956775440 612512822 /nfs/dbraw/zinc/51/28/22/612512822.db2.gz JOWDBEVSCNVZDC-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953998410 612536396 /nfs/dbraw/zinc/53/63/96/612536396.db2.gz ZITOLGXHYNKLAD-BXUZGUMPSA-N 1 1 329.404 0.367 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956802755 612566837 /nfs/dbraw/zinc/56/68/37/612566837.db2.gz SELASFXKPGYJHA-FZKQIMNGSA-N 1 1 343.431 0.949 20 30 ECEDMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954709864 612580440 /nfs/dbraw/zinc/58/04/40/612580440.db2.gz LGJVEPQGTGTSQI-HNNXBMFYSA-N 1 1 329.404 0.653 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956834904 612606740 /nfs/dbraw/zinc/60/67/40/612606740.db2.gz XBIRJCCOCSEHQH-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956842438 612616231 /nfs/dbraw/zinc/61/62/31/612616231.db2.gz GLQNFVWQMZXICS-SJCJKPOMSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000956036099 612637572 /nfs/dbraw/zinc/63/75/72/612637572.db2.gz RKTSBTNKXQHZNQ-UHOFOFEASA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2n[nH]cc2C)C1 ZINC000956912727 612700761 /nfs/dbraw/zinc/70/07/61/612700761.db2.gz VRJQHGNAYDTDCW-KSSFIOAISA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2n[nH]cc2C)C1 ZINC000956912727 612700763 /nfs/dbraw/zinc/70/07/63/612700763.db2.gz VRJQHGNAYDTDCW-KSSFIOAISA-N 1 1 343.431 0.537 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000956137924 612737532 /nfs/dbraw/zinc/73/75/32/612737532.db2.gz KYUQSDAPKSUYMH-YESZJQIVSA-N 1 1 346.475 0.285 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000246028725 612762605 /nfs/dbraw/zinc/76/26/05/612762605.db2.gz NHNSYIRPWKYROE-ZFWWWQNUSA-N 1 1 338.433 0.097 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000956193219 612772180 /nfs/dbraw/zinc/77/21/80/612772180.db2.gz UTIWJKKESZDPPT-RYUDHWBXSA-N 1 1 333.392 0.617 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956226283 612787432 /nfs/dbraw/zinc/78/74/32/612787432.db2.gz RGBUSNQNIZFZLY-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954322867 612852631 /nfs/dbraw/zinc/85/26/31/612852631.db2.gz VWWHEXOKAKLQPU-XIRDDKMYSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954381164 612884812 /nfs/dbraw/zinc/88/48/12/612884812.db2.gz VNQYYBFOLAVBHI-XIRDDKMYSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnc(C)n2C)C1 ZINC000955082849 612889551 /nfs/dbraw/zinc/88/95/51/612889551.db2.gz ZKOZJADWEPJIIF-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnc(C)n2C)C1 ZINC000955082849 612889553 /nfs/dbraw/zinc/88/95/53/612889553.db2.gz ZKOZJADWEPJIIF-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C#N)n1 ZINC001164739875 720746707 /nfs/dbraw/zinc/74/67/07/720746707.db2.gz JEFJDZSLFCLZKH-KGLIPLIRSA-N 1 1 337.387 0.789 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3cnc(C#N)c(C)n3)CC[C@H]2C1 ZINC001164858938 720869916 /nfs/dbraw/zinc/86/99/16/720869916.db2.gz SZJWLBHABXYWLE-GOEBONIOSA-N 1 1 331.420 0.830 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC001041785605 782201811 /nfs/dbraw/zinc/20/18/11/782201811.db2.gz JGQCINVHUJRQFJ-QGZVFWFLSA-N 1 1 346.387 0.458 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)Nc2ncccc2C#N)C1 ZINC001098215774 735363501 /nfs/dbraw/zinc/36/35/01/735363501.db2.gz VXGBNJMCPCYTIB-UKRRQHHQSA-N 1 1 331.420 0.979 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC001041786450 782205370 /nfs/dbraw/zinc/20/53/70/782205370.db2.gz HNXPUMRPDACNLT-QGZVFWFLSA-N 1 1 342.403 0.532 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)Nc2ccc(C#N)cn2)C1 ZINC001098215866 735376430 /nfs/dbraw/zinc/37/64/30/735376430.db2.gz XRMGTFRRWMPBRK-DZGCQCFKSA-N 1 1 331.420 0.979 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)Nc2ccc(C#N)cn2)C1 ZINC001098215869 735376751 /nfs/dbraw/zinc/37/67/51/735376751.db2.gz XRMGTFRRWMPBRK-ZFWWWQNUSA-N 1 1 331.420 0.979 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001078048581 782211848 /nfs/dbraw/zinc/21/18/48/782211848.db2.gz XOKRPUOZXIJURO-IAGOWNOFSA-N 1 1 329.400 0.372 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(CC4CC4)nn3)[C@H]2C1 ZINC001083236198 735499740 /nfs/dbraw/zinc/49/97/40/735499740.db2.gz PVUQUYKKGSBGTA-JKSUJKDBSA-N 1 1 331.420 0.789 20 30 ECEDMO Cn1ncc(C[NH2+]C[C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)n1 ZINC001024931270 738405747 /nfs/dbraw/zinc/40/57/47/738405747.db2.gz CDXNZUQGJKPYRG-OAHLLOKOSA-N 1 1 327.392 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCc1nnc(C)o1 ZINC001024987846 738462487 /nfs/dbraw/zinc/46/24/87/738462487.db2.gz WUAGRQGPYJORNF-HOTGVXAUSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCc1nnc(C)o1 ZINC001024987846 738462488 /nfs/dbraw/zinc/46/24/88/738462488.db2.gz WUAGRQGPYJORNF-HOTGVXAUSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC000972984489 738477255 /nfs/dbraw/zinc/47/72/55/738477255.db2.gz XBDXIMDVBGHQFY-DZKIICNBSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC000972984489 738477256 /nfs/dbraw/zinc/47/72/56/738477256.db2.gz XBDXIMDVBGHQFY-DZKIICNBSA-N 1 1 343.431 0.203 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)c1 ZINC001087346702 738511322 /nfs/dbraw/zinc/51/13/22/738511322.db2.gz QPVPDESHUXXXKI-XPCVCDNBSA-N 1 1 327.388 0.154 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)c[nH]1 ZINC001087348925 738524215 /nfs/dbraw/zinc/52/42/15/738524215.db2.gz BRZARQURPHSIDK-PUPMMZHASA-N 1 1 327.388 0.154 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@@H](C)CC)no1 ZINC001114941571 731474134 /nfs/dbraw/zinc/47/41/34/731474134.db2.gz CXZLBPOAZBCNAH-APNQJHFZSA-N 1 1 344.415 0.598 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@@H](C)CC)no1 ZINC001114941571 731474136 /nfs/dbraw/zinc/47/41/36/731474136.db2.gz CXZLBPOAZBCNAH-APNQJHFZSA-N 1 1 344.415 0.598 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC000969138749 731515641 /nfs/dbraw/zinc/51/56/41/731515641.db2.gz ANRVPYGGKLZHLN-ZDUSSCGKSA-N 1 1 329.404 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC000969148064 731531848 /nfs/dbraw/zinc/53/18/48/731531848.db2.gz OLYJULPCXBXDNM-SJORKVTESA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC000969156220 731535595 /nfs/dbraw/zinc/53/55/95/731535595.db2.gz MVOSCFVCVWDNNV-CYBMUJFWSA-N 1 1 334.424 0.314 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](CC)C(N)=O)C3)C2)nc1 ZINC001041793070 782219576 /nfs/dbraw/zinc/21/95/76/782219576.db2.gz CSTVKEKHADSZML-LPHOPBHVSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H](n2ccnn2)C1 ZINC001069977668 790270497 /nfs/dbraw/zinc/27/04/97/790270497.db2.gz YMDICCMYKUFICS-SJORKVTESA-N 1 1 349.398 0.833 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H](n2ccnn2)C1 ZINC001069977668 790270499 /nfs/dbraw/zinc/27/04/99/790270499.db2.gz YMDICCMYKUFICS-SJORKVTESA-N 1 1 349.398 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](CC)C(N)=O)C3)C2)cn1 ZINC001041795188 782224831 /nfs/dbraw/zinc/22/48/31/782224831.db2.gz ZORPOVLLGFZPBS-QFBILLFUSA-N 1 1 340.427 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@H](C)C(=O)NC)C3)C2)cn1 ZINC001041793264 782221694 /nfs/dbraw/zinc/22/16/94/782221694.db2.gz IHBWPPOIJLIQRD-KUHUBIRLSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cnn(C)c3C)C2)C1=O ZINC000969314449 731704569 /nfs/dbraw/zinc/70/45/69/731704569.db2.gz XBZZWEOAYLQXOT-LRDDRELGSA-N 1 1 345.447 0.566 20 30 ECEDMO CC(C)N1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000969506132 731935109 /nfs/dbraw/zinc/93/51/09/731935109.db2.gz NBCIWTLURIWNCI-LRDDRELGSA-N 1 1 343.431 0.946 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC000969526118 731948309 /nfs/dbraw/zinc/94/83/09/731948309.db2.gz JMPANTNKKHJFDI-XHDPSFHLSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H](NC(=O)c1ncn(C)n1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969595703 731989045 /nfs/dbraw/zinc/98/90/45/731989045.db2.gz BROPCSVEKXJBRQ-SNVBAGLBSA-N 1 1 330.417 0.999 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000969594595 731992664 /nfs/dbraw/zinc/99/26/64/731992664.db2.gz MLUDORFWJYMNCZ-BONVTDFDSA-N 1 1 346.362 0.742 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCN(C(=O)CC)C2)CC1 ZINC001098524473 732062172 /nfs/dbraw/zinc/06/21/72/732062172.db2.gz KUASLHBNJDLEHH-HNNXBMFYSA-N 1 1 335.448 0.163 20 30 ECEDMO CC1(C)C[N@@H+](CCN2CCNC2=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973048061 738584202 /nfs/dbraw/zinc/58/42/02/738584202.db2.gz OKLIKKWBGSEOMR-AWEZNQCLSA-N 1 1 344.419 0.352 20 30 ECEDMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973048319 738584742 /nfs/dbraw/zinc/58/47/42/738584742.db2.gz RBWSHDZDZICSDP-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccns3)C2)C1=O ZINC000969779735 732343412 /nfs/dbraw/zinc/34/34/12/732343412.db2.gz QKNRFURKBWSDJY-AAEUAGOBSA-N 1 1 334.445 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041812236 782253594 /nfs/dbraw/zinc/25/35/94/782253594.db2.gz WJSKPZXRRLATCB-SJLPKXTDSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ncnn2CC)C1 ZINC000969870034 732467922 /nfs/dbraw/zinc/46/79/22/732467922.db2.gz VGVJVOUMGLBDMD-HOCLYGCPSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ncnn2CC)C1 ZINC000969870034 732467926 /nfs/dbraw/zinc/46/79/26/732467926.db2.gz VGVJVOUMGLBDMD-HOCLYGCPSA-N 1 1 344.463 0.332 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccsn3)C2)C1=O ZINC000969934917 732533130 /nfs/dbraw/zinc/53/31/30/732533130.db2.gz ANNWXLULZLAFHM-FZMZJTMJSA-N 1 1 334.445 0.980 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncnn2CCC)C1 ZINC000970017129 732627605 /nfs/dbraw/zinc/62/76/05/732627605.db2.gz OCDVMUVFGNOLFP-KFWWJZLASA-N 1 1 333.436 0.970 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2CCCC)C1 ZINC000970016831 732627615 /nfs/dbraw/zinc/62/76/15/732627615.db2.gz JOBBKGDPMVOPDG-KFWWJZLASA-N 1 1 348.451 0.755 20 30 ECEDMO C=CCN1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193909 732637998 /nfs/dbraw/zinc/63/79/98/732637998.db2.gz MXTSZSWIPKUZMF-HYVNUMGLSA-N 1 1 330.432 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC000973073705 738631911 /nfs/dbraw/zinc/63/19/11/738631911.db2.gz MSBJFOIOWLZTAF-DZKIICNBSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC000973073705 738631917 /nfs/dbraw/zinc/63/19/17/738631917.db2.gz MSBJFOIOWLZTAF-DZKIICNBSA-N 1 1 343.431 0.203 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001078082151 782274281 /nfs/dbraw/zinc/27/42/81/782274281.db2.gz DMCYLIPXWCQUHA-IPMKNSEASA-N 1 1 342.439 0.941 20 30 ECEDMO C#CCCC[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnn(C)c3)[C@H]2C1 ZINC001209265644 732769725 /nfs/dbraw/zinc/76/97/25/732769725.db2.gz CFNAOGCQJPKOGH-BHYGNILZSA-N 1 1 330.432 0.900 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC001041829638 782292449 /nfs/dbraw/zinc/29/24/49/782292449.db2.gz ZYTBOAQNTCDBAX-QGZVFWFLSA-N 1 1 326.404 0.777 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001041829491 782293065 /nfs/dbraw/zinc/29/30/65/782293065.db2.gz WUTFIDKKGXEUMT-QGZVFWFLSA-N 1 1 330.388 0.047 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)C1 ZINC001041834992 782308413 /nfs/dbraw/zinc/30/84/13/782308413.db2.gz PBHAQBPICUBVEY-HKUYNNGSSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)C1 ZINC001041834992 782308425 /nfs/dbraw/zinc/30/84/25/782308425.db2.gz PBHAQBPICUBVEY-HKUYNNGSSA-N 1 1 333.476 0.902 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC001098533140 733065088 /nfs/dbraw/zinc/06/50/88/733065088.db2.gz UMEKKWGMEUHQKH-CQSZACIVSA-N 1 1 347.463 0.771 20 30 ECEDMO C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001098533140 733065093 /nfs/dbraw/zinc/06/50/93/733065093.db2.gz UMEKKWGMEUHQKH-CQSZACIVSA-N 1 1 347.463 0.771 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001098533140 733065096 /nfs/dbraw/zinc/06/50/96/733065096.db2.gz UMEKKWGMEUHQKH-CQSZACIVSA-N 1 1 347.463 0.771 20 30 ECEDMO C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001098533140 733065099 /nfs/dbraw/zinc/06/50/99/733065099.db2.gz UMEKKWGMEUHQKH-CQSZACIVSA-N 1 1 347.463 0.771 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001098533140 733065100 /nfs/dbraw/zinc/06/51/00/733065100.db2.gz UMEKKWGMEUHQKH-CQSZACIVSA-N 1 1 347.463 0.771 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC001041838845 782317146 /nfs/dbraw/zinc/31/71/46/782317146.db2.gz FTOQSCRBFOCYLB-WMZOPIPTSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000969049081 733110174 /nfs/dbraw/zinc/11/01/74/733110174.db2.gz FBGDREWMAMXVJW-AWEZNQCLSA-N 1 1 346.431 0.082 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CNc2cncc(C#N)n2)C(C)(C)C)C1 ZINC001125828864 738684191 /nfs/dbraw/zinc/68/41/91/738684191.db2.gz XWONIFPVIDTTNC-KGLIPLIRSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CNc2cncc(C#N)n2)C(C)(C)C)C1 ZINC001125828864 738684195 /nfs/dbraw/zinc/68/41/95/738684195.db2.gz XWONIFPVIDTTNC-KGLIPLIRSA-N 1 1 346.435 0.622 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001078114495 782323024 /nfs/dbraw/zinc/32/30/24/782323024.db2.gz KIBRXNATLVGQEV-HUUCEWRRSA-N 1 1 334.416 0.984 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3csnc3OC)C2)nn1 ZINC000970205018 733198470 /nfs/dbraw/zinc/19/84/70/733198470.db2.gz BJMRLRVYCLRZDG-GFCCVEGCSA-N 1 1 348.432 0.934 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC000970220756 733230977 /nfs/dbraw/zinc/23/09/77/733230977.db2.gz KQGRHFJLZLCNBX-YCPHGPKFSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC000970224287 733235174 /nfs/dbraw/zinc/23/51/74/733235174.db2.gz MQVKVLJCFVHKSU-DGCLKSJQSA-N 1 1 344.423 0.846 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970271314 733286047 /nfs/dbraw/zinc/28/60/47/733286047.db2.gz NRSGQQXYCGBPEU-LRDDRELGSA-N 1 1 341.415 0.518 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2O)CC1 ZINC000970333604 733376041 /nfs/dbraw/zinc/37/60/41/733376041.db2.gz JSWKQCPRLZVIGA-UAGQMJEPSA-N 1 1 349.475 0.763 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970340889 733393025 /nfs/dbraw/zinc/39/30/25/733393025.db2.gz SJUGFBXANQOYPH-CQSZACIVSA-N 1 1 336.395 0.872 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2O)C1 ZINC000970379260 733444643 /nfs/dbraw/zinc/44/46/43/733444643.db2.gz YUMRMPPZQXSYBT-OAGGEKHMSA-N 1 1 349.475 0.905 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC000970511340 733632939 /nfs/dbraw/zinc/63/29/39/733632939.db2.gz HSGFWPHUWZPMFM-CYBMUJFWSA-N 1 1 340.387 0.226 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC000970543997 733661236 /nfs/dbraw/zinc/66/12/36/733661236.db2.gz DWVWTQLICWAIIZ-IUODEOHRSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970569575 733685488 /nfs/dbraw/zinc/68/54/88/733685488.db2.gz BPCCZGNLZIUZLD-KMFMINBZSA-N 1 1 335.448 0.636 20 30 ECEDMO Cc1ccc([C@H](C)C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)o1 ZINC001114939173 733786326 /nfs/dbraw/zinc/78/63/26/733786326.db2.gz CNHIKOQLHVIKDE-BCUIYNNISA-N 1 1 330.388 0.378 20 30 ECEDMO Cc1ccc([C@H](C)C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)o1 ZINC001114939173 733786327 /nfs/dbraw/zinc/78/63/27/733786327.db2.gz CNHIKOQLHVIKDE-BCUIYNNISA-N 1 1 330.388 0.378 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001039201816 733828073 /nfs/dbraw/zinc/82/80/73/733828073.db2.gz GHTFMEOEJLFAQV-HOCLYGCPSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001039201816 733828075 /nfs/dbraw/zinc/82/80/75/733828075.db2.gz GHTFMEOEJLFAQV-HOCLYGCPSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001039202250 733829011 /nfs/dbraw/zinc/82/90/11/733829011.db2.gz JMODKASGBIELRM-UKRRQHHQSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001039202250 733829014 /nfs/dbraw/zinc/82/90/14/733829014.db2.gz JMODKASGBIELRM-UKRRQHHQSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001039202251 733829146 /nfs/dbraw/zinc/82/91/46/733829146.db2.gz JMODKASGBIELRM-ZFWWWQNUSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001039202251 733829150 /nfs/dbraw/zinc/82/91/50/733829150.db2.gz JMODKASGBIELRM-ZFWWWQNUSA-N 1 1 326.462 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N(C)C3CC3)C2)nc1 ZINC000970761970 733922032 /nfs/dbraw/zinc/92/20/32/733922032.db2.gz BHOVIXYATVUEPP-ZDUSSCGKSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCCNC3=O)C2)cn1 ZINC000970767901 733925236 /nfs/dbraw/zinc/92/52/36/733925236.db2.gz XUATUDZSIMUZQT-WBMJQRKESA-N 1 1 326.400 0.392 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3cc(C)n(C)n3)C2)CC1 ZINC000970792842 733943496 /nfs/dbraw/zinc/94/34/96/733943496.db2.gz ZFMZMCGDZOLKHL-QGZVFWFLSA-N 1 1 343.475 0.764 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@H]3CCCOC3)C2)CC1 ZINC000970792845 733943735 /nfs/dbraw/zinc/94/37/35/733943735.db2.gz ZLNJPISNLZUHRX-SJLPKXTDSA-N 1 1 333.476 0.949 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001078157147 782395734 /nfs/dbraw/zinc/39/57/34/782395734.db2.gz PZRCCDZSXVEKLI-HUUCEWRRSA-N 1 1 332.404 0.206 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cnccn3)C2)C1=O ZINC000970992613 734152390 /nfs/dbraw/zinc/15/23/90/734152390.db2.gz CBSXFODYSJBSNL-ZFWWWQNUSA-N 1 1 329.404 0.410 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cnn(C)c3C)C2)C1=O ZINC000971084045 734245134 /nfs/dbraw/zinc/24/51/34/734245134.db2.gz SCGMTLAPZBDYQH-GDBMZVCRSA-N 1 1 345.447 0.662 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CCO1 ZINC001104317370 734262611 /nfs/dbraw/zinc/26/26/11/734262611.db2.gz VRUAPYRXHZWCDU-RHSMWYFYSA-N 1 1 334.420 0.742 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c3ccccc3oc2=O)C1 ZINC001078163610 782408657 /nfs/dbraw/zinc/40/86/57/782408657.db2.gz XNXDAVMQQSLTJX-TZMCWYRMSA-N 1 1 331.372 0.332 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cnn(C)c2OC)CC1 ZINC001098547805 734307178 /nfs/dbraw/zinc/30/71/78/734307178.db2.gz IYALMVXHNFRQKG-UHFFFAOYSA-N 1 1 334.420 0.351 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)C1=O ZINC000971167366 734332279 /nfs/dbraw/zinc/33/22/79/734332279.db2.gz ROKYNWRQTIXFMM-ZBFHGGJFSA-N 1 1 345.447 0.662 20 30 ECEDMO CC[C@@H](C)C(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#CCOC)C2 ZINC001111988287 738806537 /nfs/dbraw/zinc/80/65/37/738806537.db2.gz ANPYZDLGHGWJKZ-GJYPPUQNSA-N 1 1 349.475 0.769 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCS(N)(=O)=O)C1 ZINC001211508979 734374818 /nfs/dbraw/zinc/37/48/18/734374818.db2.gz SHJKIUUSZWHSHP-ZIAGYGMSSA-N 1 1 331.482 0.848 20 30 ECEDMO C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971289309 734422410 /nfs/dbraw/zinc/42/24/10/734422410.db2.gz ROSUGOUXIOWUSZ-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2cccc(C(=O)NC)n2)CC1 ZINC001098550209 734443451 /nfs/dbraw/zinc/44/34/51/734443451.db2.gz AZHWZZLCIYGFRU-UHFFFAOYSA-N 1 1 346.431 0.526 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001149257056 734444327 /nfs/dbraw/zinc/44/43/27/734444327.db2.gz WPCRHYJRYXREMD-KGLIPLIRSA-N 1 1 327.425 0.904 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 ZINC001098550350 734448974 /nfs/dbraw/zinc/44/89/74/734448974.db2.gz JHUNNPBUSDOYMQ-MRXNPFEDSA-N 1 1 335.448 0.306 20 30 ECEDMO CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000971377152 734488698 /nfs/dbraw/zinc/48/86/98/734488698.db2.gz UNOOSLDCDKGIIH-HUUCEWRRSA-N 1 1 329.404 0.653 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3ccc(C#N)cn3)CCO2)C1 ZINC001104349449 734519555 /nfs/dbraw/zinc/51/95/55/734519555.db2.gz GQPNXLAGNQJOLD-GDBMZVCRSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@@H](C)F)C[C@@H]32)nn1 ZINC001083218050 734568266 /nfs/dbraw/zinc/56/82/66/734568266.db2.gz ZDCLZVWWGQDMRN-VHDGCEQUSA-N 1 1 337.399 0.737 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3ccnn3C)C2)C1=O ZINC000971430263 734574735 /nfs/dbraw/zinc/57/47/35/734574735.db2.gz UKGLONASFGUBOS-HZPDHXFCSA-N 1 1 345.447 0.282 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1)C1CCC1 ZINC001104353352 734606898 /nfs/dbraw/zinc/60/68/98/734606898.db2.gz UYCXMMJWTLYEIE-AWEZNQCLSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451896 734610093 /nfs/dbraw/zinc/61/00/93/734610093.db2.gz MYUAOVFQWSNTIE-GJZGRUSLSA-N 1 1 328.372 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)OC)[C@@H]2C1 ZINC000971482864 734677872 /nfs/dbraw/zinc/67/78/72/734677872.db2.gz RNDFGOIYEAETRY-LVQVYYBASA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)OC)[C@@H]2C1 ZINC000971482864 734677874 /nfs/dbraw/zinc/67/78/74/734677874.db2.gz RNDFGOIYEAETRY-LVQVYYBASA-N 1 1 333.432 0.178 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)C1 ZINC001078178879 782438145 /nfs/dbraw/zinc/43/81/45/782438145.db2.gz HUTCEGZZRVSETC-HUUCEWRRSA-N 1 1 328.372 0.776 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1[nH]nnc1C)C2 ZINC001112506665 734799847 /nfs/dbraw/zinc/79/98/47/734799847.db2.gz YIUHOJUHMFWMNQ-GUYCJALGSA-N 1 1 346.435 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cnn(CC)n2)C1 ZINC000971704323 734965879 /nfs/dbraw/zinc/96/58/79/734965879.db2.gz RYFQZABEVYDZCQ-SJORKVTESA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cnn(CC)n2)C1 ZINC000971704323 734965882 /nfs/dbraw/zinc/96/58/82/734965882.db2.gz RYFQZABEVYDZCQ-SJORKVTESA-N 1 1 344.463 0.428 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000973178314 738869690 /nfs/dbraw/zinc/86/96/90/738869690.db2.gz WJUWYAQSAUHQGH-JURCDPSOSA-N 1 1 343.431 0.994 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000971820104 735133057 /nfs/dbraw/zinc/13/30/57/735133057.db2.gz BONGYLJJKZGDKF-ZDUSSCGKSA-N 1 1 328.844 0.046 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000971820104 735133060 /nfs/dbraw/zinc/13/30/60/735133060.db2.gz BONGYLJJKZGDKF-ZDUSSCGKSA-N 1 1 328.844 0.046 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCC=C ZINC001111490266 735251680 /nfs/dbraw/zinc/25/16/80/735251680.db2.gz ZOUWXWDHRRCMLG-FPCVCCKLSA-N 1 1 335.448 0.991 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCC=C ZINC001111490266 735251685 /nfs/dbraw/zinc/25/16/85/735251685.db2.gz ZOUWXWDHRRCMLG-FPCVCCKLSA-N 1 1 335.448 0.991 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2ccc(=O)n(CCC)n2)CC1 ZINC001098558522 735260321 /nfs/dbraw/zinc/26/03/21/735260321.db2.gz HUZOGXYGOKFRTQ-UHFFFAOYSA-N 1 1 348.447 0.738 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC001167535561 735577380 /nfs/dbraw/zinc/57/73/80/735577380.db2.gz OMZQPXBBXZBNTQ-HZPDHXFCSA-N 1 1 330.432 0.442 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2[nH]cnc2C)C1 ZINC001006396196 751346649 /nfs/dbraw/zinc/34/66/49/751346649.db2.gz JFUYIUPVCXFMCA-WFASDCNBSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2[nH]cnc2C)C1 ZINC001006396196 751346658 /nfs/dbraw/zinc/34/66/58/751346658.db2.gz JFUYIUPVCXFMCA-WFASDCNBSA-N 1 1 343.431 0.392 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC000972083568 735622017 /nfs/dbraw/zinc/62/20/17/735622017.db2.gz BGHZUJPUZRAZNE-BRWVUGGUSA-N 1 1 329.444 0.801 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC)N2CCCC2=O)CC1 ZINC001098566560 735834973 /nfs/dbraw/zinc/83/49/73/735834973.db2.gz BTFLUTFZAAOVGA-QGZVFWFLSA-N 1 1 349.475 0.696 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CN2CCc3ccccc32)CC1 ZINC001098566673 735853309 /nfs/dbraw/zinc/85/33/09/735853309.db2.gz HZALHIVYFOFUHI-UHFFFAOYSA-N 1 1 341.455 0.968 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001058908939 751364457 /nfs/dbraw/zinc/36/44/57/751364457.db2.gz MWCXMNPKMYTVEK-DZGCQCFKSA-N 1 1 344.419 0.390 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001058908939 751364463 /nfs/dbraw/zinc/36/44/63/751364463.db2.gz MWCXMNPKMYTVEK-DZGCQCFKSA-N 1 1 344.419 0.390 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001098566833 735861162 /nfs/dbraw/zinc/86/11/62/735861162.db2.gz QOCACUOCQWVDKI-QGZVFWFLSA-N 1 1 339.480 0.569 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001058909048 751365249 /nfs/dbraw/zinc/36/52/49/751365249.db2.gz SDGCMXPGPZXYSO-GJZGRUSLSA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001058909048 751365252 /nfs/dbraw/zinc/36/52/52/751365252.db2.gz SDGCMXPGPZXYSO-GJZGRUSLSA-N 1 1 329.404 0.687 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@@H]2CCOC2)CCO3)c[nH]1 ZINC000972354085 735995757 /nfs/dbraw/zinc/99/57/57/735995757.db2.gz WXCVKWDWJUHPMF-KBXCAEBGSA-N 1 1 344.415 0.840 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380419 736048901 /nfs/dbraw/zinc/04/89/01/736048901.db2.gz HKPAUTDNJBXHQI-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380419 736048907 /nfs/dbraw/zinc/04/89/07/736048907.db2.gz HKPAUTDNJBXHQI-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394942 736118321 /nfs/dbraw/zinc/11/83/21/736118321.db2.gz UCDJJOOXYYAQKT-KRWDZBQOSA-N 1 1 342.403 0.617 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 ZINC000972408409 736144653 /nfs/dbraw/zinc/14/46/53/736144653.db2.gz NZMAMILVUDKZPZ-SFHVURJKSA-N 1 1 328.416 0.770 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 ZINC000972408409 736144656 /nfs/dbraw/zinc/14/46/56/736144656.db2.gz NZMAMILVUDKZPZ-SFHVURJKSA-N 1 1 328.416 0.770 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]32)nc1 ZINC001083251996 736166012 /nfs/dbraw/zinc/16/60/12/736166012.db2.gz ROQFQTCPNSKGRA-RYQLBKOJSA-N 1 1 341.411 0.625 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972424201 736170964 /nfs/dbraw/zinc/17/09/64/736170964.db2.gz ZSYFWUPTVQNOHD-GOSISDBHSA-N 1 1 344.415 0.354 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972424201 736170968 /nfs/dbraw/zinc/17/09/68/736170968.db2.gz ZSYFWUPTVQNOHD-GOSISDBHSA-N 1 1 344.415 0.354 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC000972423985 736171035 /nfs/dbraw/zinc/17/10/35/736171035.db2.gz XHTVOSOWBFMOEB-GOSISDBHSA-N 1 1 346.431 0.663 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972437864 736192983 /nfs/dbraw/zinc/19/29/83/736192983.db2.gz MIGWPUPWPAETQL-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC000972437242 736195445 /nfs/dbraw/zinc/19/54/45/736195445.db2.gz ACRLFBBXWXVHKO-LPHOPBHVSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC000972437242 736195447 /nfs/dbraw/zinc/19/54/47/736195447.db2.gz ACRLFBBXWXVHKO-LPHOPBHVSA-N 1 1 342.443 0.772 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001041972524 782520026 /nfs/dbraw/zinc/52/00/26/782520026.db2.gz AAPLRUKLLQXKPU-GJZGRUSLSA-N 1 1 335.448 0.659 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)nn3C)C2)C1 ZINC000972463979 736263333 /nfs/dbraw/zinc/26/33/33/736263333.db2.gz ZQTVRNTWJSXXGP-GOSISDBHSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)nn3C)C2)C1 ZINC000972463979 736263335 /nfs/dbraw/zinc/26/33/35/736263335.db2.gz ZQTVRNTWJSXXGP-GOSISDBHSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480203 736305281 /nfs/dbraw/zinc/30/52/81/736305281.db2.gz HXSUODHPXAILTH-SJLPKXTDSA-N 1 1 346.431 0.434 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480203 736305285 /nfs/dbraw/zinc/30/52/85/736305285.db2.gz HXSUODHPXAILTH-SJLPKXTDSA-N 1 1 346.431 0.434 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)nc1 ZINC001022991145 736368004 /nfs/dbraw/zinc/36/80/04/736368004.db2.gz ZKXSLVBQQQBKML-WCFLWFBJSA-N 1 1 325.376 0.198 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972492518 736380486 /nfs/dbraw/zinc/38/04/86/736380486.db2.gz MYKNYECZNIQRSO-YJBOKZPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972492518 736380489 /nfs/dbraw/zinc/38/04/89/736380489.db2.gz MYKNYECZNIQRSO-YJBOKZPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001078227006 782523937 /nfs/dbraw/zinc/52/39/37/782523937.db2.gz DUZLEWQCEVOBRV-KZNAEPCWSA-N 1 1 349.475 0.062 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000981966664 751371345 /nfs/dbraw/zinc/37/13/45/751371345.db2.gz APTJOVVCFWITHT-HNNXBMFYSA-N 1 1 341.459 0.868 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 ZINC001098575100 736484540 /nfs/dbraw/zinc/48/45/40/736484540.db2.gz BXSMSTSEEGNVCT-UHFFFAOYSA-N 1 1 336.436 0.199 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)nn1 ZINC000972518325 736532596 /nfs/dbraw/zinc/53/25/96/736532596.db2.gz TVYUMSNREROSBW-ZFWWWQNUSA-N 1 1 346.435 0.231 20 30 ECEDMO CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000262342323 736554834 /nfs/dbraw/zinc/55/48/34/736554834.db2.gz XHRUHSTWFVAMFG-INIZCTEOSA-N 1 1 333.480 0.909 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCNC(=O)COC)C1 ZINC001111769195 736591445 /nfs/dbraw/zinc/59/14/45/736591445.db2.gz UKHDAOJECQKNRQ-BBRMVZONSA-N 1 1 343.855 0.862 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCNC(=O)COC)C1 ZINC001111769195 736591447 /nfs/dbraw/zinc/59/14/47/736591447.db2.gz UKHDAOJECQKNRQ-BBRMVZONSA-N 1 1 343.855 0.862 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c[nH]1 ZINC001023315096 736675632 /nfs/dbraw/zinc/67/56/32/736675632.db2.gz SEXKYENHTLQATD-AWEZNQCLSA-N 1 1 343.431 0.951 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318997 736679181 /nfs/dbraw/zinc/67/91/81/736679181.db2.gz QKOSNFBUHUZIOR-GFCCVEGCSA-N 1 1 338.433 0.373 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318997 736679185 /nfs/dbraw/zinc/67/91/85/736679185.db2.gz QKOSNFBUHUZIOR-GFCCVEGCSA-N 1 1 338.433 0.373 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972549732 736683413 /nfs/dbraw/zinc/68/34/13/736683413.db2.gz RNDQDSWDEPJPTG-KRWDZBQOSA-N 1 1 331.372 0.319 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972549732 736683415 /nfs/dbraw/zinc/68/34/15/736683415.db2.gz RNDQDSWDEPJPTG-KRWDZBQOSA-N 1 1 331.372 0.319 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@@H]2CCOC2)C1 ZINC001059846743 751372186 /nfs/dbraw/zinc/37/21/86/751372186.db2.gz CZUMYBQGHSEVDE-BBWFWOEESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@@H]2CCOC2)C1 ZINC001059846743 751372193 /nfs/dbraw/zinc/37/21/93/751372193.db2.gz CZUMYBQGHSEVDE-BBWFWOEESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001023416676 736798368 /nfs/dbraw/zinc/79/83/68/736798368.db2.gz CISWUBDMSXAYOK-PBHICJAKSA-N 1 1 325.412 0.975 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001023444451 736841233 /nfs/dbraw/zinc/84/12/33/736841233.db2.gz MACWFLZTTQELNL-CQSZACIVSA-N 1 1 338.473 0.663 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001023444370 736841238 /nfs/dbraw/zinc/84/12/38/736841238.db2.gz JSPXIIOIYTZZJY-AWEZNQCLSA-N 1 1 338.473 0.663 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC([N@@H+](CC#CCOC)CCO)CC1 ZINC001098577048 736852036 /nfs/dbraw/zinc/85/20/36/736852036.db2.gz CMRMCZHBDXEVPM-INIZCTEOSA-N 1 1 338.448 0.513 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001023465309 736871572 /nfs/dbraw/zinc/87/15/72/736871572.db2.gz QTCSJDRTFDUKEG-LLVKDONJSA-N 1 1 325.390 0.002 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001023565150 737011944 /nfs/dbraw/zinc/01/19/44/737011944.db2.gz ZFTDMWAMTCQAFU-GHMZBOCLSA-N 1 1 345.241 0.405 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001023565150 737011947 /nfs/dbraw/zinc/01/19/47/737011947.db2.gz ZFTDMWAMTCQAFU-GHMZBOCLSA-N 1 1 345.241 0.405 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccn(CC)n2)C1=O ZINC001028179470 751381604 /nfs/dbraw/zinc/38/16/04/751381604.db2.gz FLIPITOMCJBGQA-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccn(CC)n2)C1=O ZINC001028179470 751381610 /nfs/dbraw/zinc/38/16/10/751381610.db2.gz FLIPITOMCJBGQA-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972605572 737077856 /nfs/dbraw/zinc/07/78/56/737077856.db2.gz DEEDEMWYKLSHFR-MRXNPFEDSA-N 1 1 339.403 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CCOC)C1 ZINC001059847615 751384398 /nfs/dbraw/zinc/38/43/98/751384398.db2.gz UCNLZBVGZLEKEQ-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CCOC)C1 ZINC001059847615 751384404 /nfs/dbraw/zinc/38/44/04/751384404.db2.gz UCNLZBVGZLEKEQ-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001023643546 737132834 /nfs/dbraw/zinc/13/28/34/737132834.db2.gz BEEYBLGYDXAKAY-OLZOCXBDSA-N 1 1 349.884 0.601 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001023643546 737132837 /nfs/dbraw/zinc/13/28/37/737132837.db2.gz BEEYBLGYDXAKAY-OLZOCXBDSA-N 1 1 349.884 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001023646208 737137614 /nfs/dbraw/zinc/13/76/14/737137614.db2.gz JTUOOHROVBYPKT-GVDBMIGSSA-N 1 1 330.432 0.750 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)C2)C1 ZINC000972628057 737150504 /nfs/dbraw/zinc/15/05/04/737150504.db2.gz MUTMWILXXKEZCN-HNAYVOBHSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)C2)C1 ZINC000972628057 737150505 /nfs/dbraw/zinc/15/05/05/737150505.db2.gz MUTMWILXXKEZCN-HNAYVOBHSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 ZINC000972628057 737150507 /nfs/dbraw/zinc/15/05/07/737150507.db2.gz MUTMWILXXKEZCN-HNAYVOBHSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 ZINC000972628057 737150508 /nfs/dbraw/zinc/15/05/08/737150508.db2.gz MUTMWILXXKEZCN-HNAYVOBHSA-N 1 1 342.443 0.841 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cnon3)C2)C1=O ZINC001023659462 737158757 /nfs/dbraw/zinc/15/87/57/737158757.db2.gz BWKVZOBVORHUSX-OCCSQVGLSA-N 1 1 333.392 0.298 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CCn3cncn3)C2)nc1 ZINC001023709354 737227407 /nfs/dbraw/zinc/22/74/07/737227407.db2.gz SPHYTAXULDJEAU-MRXNPFEDSA-N 1 1 338.415 0.796 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)nc1 ZINC001023708976 737227414 /nfs/dbraw/zinc/22/74/14/737227414.db2.gz NTBDGTRTQRUPHL-WBVHZDCISA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)nc1 ZINC001023709538 737227469 /nfs/dbraw/zinc/22/74/69/737227469.db2.gz VVILAXAFXJWHIQ-GDBMZVCRSA-N 1 1 326.400 0.393 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067463043 737315046 /nfs/dbraw/zinc/31/50/46/737315046.db2.gz UEDPZLYNGCRJKR-XHSDSOJGSA-N 1 1 337.464 0.836 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CCCn2ccnc2)CC1 ZINC001098582317 737356039 /nfs/dbraw/zinc/35/60/39/737356039.db2.gz OWDOLRFAAQGVQF-UHFFFAOYSA-N 1 1 332.448 0.972 20 30 ECEDMO C=CCCC[N@H+](CCO)C1CCN(C(=O)CCCC(N)=O)CC1 ZINC001098582489 737370432 /nfs/dbraw/zinc/37/04/32/737370432.db2.gz SJRGHWIYDJQBEB-UHFFFAOYSA-N 1 1 325.453 0.894 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3[nH]cnc3C)C2)C1=O ZINC001023784677 737376468 /nfs/dbraw/zinc/37/64/68/737376468.db2.gz YAEBXTHLQTZLRU-HUUCEWRRSA-N 1 1 345.447 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001023872278 737452224 /nfs/dbraw/zinc/45/22/24/737452224.db2.gz BUEIDCJJRFFUTK-LSDHHAIUSA-N 1 1 345.447 0.947 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001023890609 737465017 /nfs/dbraw/zinc/46/50/17/737465017.db2.gz DBXHSLJTIACZSG-CABCVRRESA-N 1 1 345.447 0.947 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972707950 737518878 /nfs/dbraw/zinc/51/88/78/737518878.db2.gz MXUDHKWZNYFFCB-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2n2ccnn2)cc1 ZINC001069993980 790288868 /nfs/dbraw/zinc/28/88/68/790288868.db2.gz YNOCPLLWHQGLLH-XKQJLSEDSA-N 1 1 339.399 0.296 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972708865 737521505 /nfs/dbraw/zinc/52/15/05/737521505.db2.gz XDOKBAZIVFXCSJ-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972708865 737521509 /nfs/dbraw/zinc/52/15/09/737521509.db2.gz XDOKBAZIVFXCSJ-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3cncn3C)C2)C1=O ZINC000972722979 737548711 /nfs/dbraw/zinc/54/87/11/737548711.db2.gz FXPJHCHHIRWSLY-ZBFHGGJFSA-N 1 1 345.447 0.282 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3cncn3C)C2)C1=O ZINC000972722969 737548811 /nfs/dbraw/zinc/54/88/11/737548811.db2.gz FXPJHCHHIRWSLY-GDBMZVCRSA-N 1 1 345.447 0.282 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCN3CCNC3=O)C2)cn1 ZINC000972756452 737597542 /nfs/dbraw/zinc/59/75/42/737597542.db2.gz MGBXAWYROULRRX-INIZCTEOSA-N 1 1 341.415 0.234 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cnccn3)C(C)(C)C2)C1=O ZINC000972769758 737616458 /nfs/dbraw/zinc/61/64/58/737616458.db2.gz PQNUPXNEBVXLAV-CABCVRRESA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cnccn3)C(C)(C)C2)C1=O ZINC000972769758 737616463 /nfs/dbraw/zinc/61/64/63/737616463.db2.gz PQNUPXNEBVXLAV-CABCVRRESA-N 1 1 343.431 0.704 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794250 737685311 /nfs/dbraw/zinc/68/53/11/737685311.db2.gz NUQLGVPYBRWKDY-OAHLLOKOSA-N 1 1 339.403 0.572 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794250 737685313 /nfs/dbraw/zinc/68/53/13/737685313.db2.gz NUQLGVPYBRWKDY-OAHLLOKOSA-N 1 1 339.403 0.572 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[NH2+]Cc2nnc3n2CCCCC3)[nH]1 ZINC001125782420 737746444 /nfs/dbraw/zinc/74/64/44/737746444.db2.gz FCGFQRAZJQOYTC-UHFFFAOYSA-N 1 1 327.392 0.724 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3cnsn3)C2)nn1 ZINC001024190361 737807818 /nfs/dbraw/zinc/80/78/18/737807818.db2.gz LORLDGHBOXFKOE-GFCCVEGCSA-N 1 1 347.448 0.958 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114949977 737915126 /nfs/dbraw/zinc/91/51/26/737915126.db2.gz SGVMVTNNTWVMOL-CTTHAOKLSA-N 1 1 346.431 0.044 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114949977 737915128 /nfs/dbraw/zinc/91/51/28/737915128.db2.gz SGVMVTNNTWVMOL-CTTHAOKLSA-N 1 1 346.431 0.044 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)c2cc(CC)n(C)n2)CC1 ZINC001098586236 737983317 /nfs/dbraw/zinc/98/33/17/737983317.db2.gz AWFBCURYACAQQV-UHFFFAOYSA-N 1 1 332.448 0.905 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001024558161 738105428 /nfs/dbraw/zinc/10/54/28/738105428.db2.gz GOGVBPSSPIAGAL-CQSZACIVSA-N 1 1 326.404 0.971 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@@H]21 ZINC001087288054 738119617 /nfs/dbraw/zinc/11/96/17/738119617.db2.gz QRRIXLKLQSBPOU-RBSFLKMASA-N 1 1 338.473 0.660 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCOCC1=O ZINC001087289119 738123782 /nfs/dbraw/zinc/12/37/82/738123782.db2.gz HCESNWVBRBJLDM-FHLIZLRMSA-N 1 1 347.459 0.474 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(CCO)CCNc1nc(C)cc(C#N)n1 ZINC001111492727 738138202 /nfs/dbraw/zinc/13/82/02/738138202.db2.gz NCVWNFXEZRYOAA-UHFFFAOYSA-N 1 1 334.424 0.231 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@H]21 ZINC001087298195 738156149 /nfs/dbraw/zinc/15/61/49/738156149.db2.gz AZBYPNYDTWAECO-XYPHTWIQSA-N 1 1 334.464 0.209 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001024622341 738179492 /nfs/dbraw/zinc/17/94/92/738179492.db2.gz VIQOBNGEXVVYOD-CYBMUJFWSA-N 1 1 326.404 0.971 20 30 ECEDMO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CCS(=O)(=O)CC1 ZINC001024690552 738222853 /nfs/dbraw/zinc/22/28/53/738222853.db2.gz XVXPCZBQABISNO-OAHLLOKOSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCS(=O)(=O)CC1 ZINC001024690552 738222855 /nfs/dbraw/zinc/22/28/55/738222855.db2.gz XVXPCZBQABISNO-OAHLLOKOSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001024706787 738234125 /nfs/dbraw/zinc/23/41/25/738234125.db2.gz GHDTVSGMUSHBGM-BRWVUGGUSA-N 1 1 330.432 0.892 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001024706787 738234129 /nfs/dbraw/zinc/23/41/29/738234129.db2.gz GHDTVSGMUSHBGM-BRWVUGGUSA-N 1 1 330.432 0.892 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001024758266 738274117 /nfs/dbraw/zinc/27/41/17/738274117.db2.gz OQTYJSQHZOFFHD-LLVKDONJSA-N 1 1 334.376 0.504 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@H]21 ZINC001087317276 738283523 /nfs/dbraw/zinc/28/35/23/738283523.db2.gz FZRIBWINIFUXQW-WQVCFCJDSA-N 1 1 346.431 0.167 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CCC3=O)C(C)(C)[C@@H]21 ZINC001087317530 738284110 /nfs/dbraw/zinc/28/41/10/738284110.db2.gz JMNGNZYYTSSUMD-FSPWUOQZSA-N 1 1 345.443 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000987974793 751397725 /nfs/dbraw/zinc/39/77/25/751397725.db2.gz AMUYSVAZXKAOHX-CABCVRRESA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000987974793 751397731 /nfs/dbraw/zinc/39/77/31/751397731.db2.gz AMUYSVAZXKAOHX-CABCVRRESA-N 1 1 343.431 0.428 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025241240 738904912 /nfs/dbraw/zinc/90/49/12/738904912.db2.gz VOOCSTGXKSMHIU-SJORKVTESA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025244387 738910776 /nfs/dbraw/zinc/91/07/76/738910776.db2.gz JDEOKRIVPKPJOE-CABCVRRESA-N 1 1 331.420 0.061 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@H+]2CC(N)=O)nn1 ZINC001025274951 738997783 /nfs/dbraw/zinc/99/77/83/738997783.db2.gz QETWFQWRQYDOBC-GJZGRUSLSA-N 1 1 346.435 0.409 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@@H+]2CC(N)=O)nn1 ZINC001025274951 738997787 /nfs/dbraw/zinc/99/77/87/738997787.db2.gz QETWFQWRQYDOBC-GJZGRUSLSA-N 1 1 346.435 0.409 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@H+]2CC(N)=O)nn1 ZINC001025274953 738997810 /nfs/dbraw/zinc/99/78/10/738997810.db2.gz QETWFQWRQYDOBC-LSDHHAIUSA-N 1 1 346.435 0.409 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@@H+]2CC(N)=O)nn1 ZINC001025274953 738997811 /nfs/dbraw/zinc/99/78/11/738997811.db2.gz QETWFQWRQYDOBC-LSDHHAIUSA-N 1 1 346.435 0.409 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001025300567 739021538 /nfs/dbraw/zinc/02/15/38/739021538.db2.gz CWQRNSKBPWXUAE-LSDHHAIUSA-N 1 1 346.435 0.409 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000973295945 739061510 /nfs/dbraw/zinc/06/15/10/739061510.db2.gz QPMBCSYRRCDECX-FPCVCCKLSA-N 1 1 346.431 0.936 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2cc(C)ncc2C#N)C1 ZINC001104580016 739084076 /nfs/dbraw/zinc/08/40/76/739084076.db2.gz UYUTWGYMKDBRGN-YOEHRIQHSA-N 1 1 345.447 0.663 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2cc(C)ncc2C#N)C1 ZINC001104580016 739084080 /nfs/dbraw/zinc/08/40/80/739084080.db2.gz UYUTWGYMKDBRGN-YOEHRIQHSA-N 1 1 345.447 0.663 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000973323864 739090969 /nfs/dbraw/zinc/09/09/69/739090969.db2.gz NFZWIGCHCFFZFU-JKQORVJESA-N 1 1 346.431 0.936 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)Cn1cnnn1 ZINC000988006884 751426434 /nfs/dbraw/zinc/42/64/34/751426434.db2.gz QQDKJBLJHZETFB-XHDPSFHLSA-N 1 1 343.366 0.463 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000973433657 739267088 /nfs/dbraw/zinc/26/70/88/739267088.db2.gz CBBAKNHGUNVOIG-ZOBUZTSGSA-N 1 1 340.427 0.924 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC000987994462 751434956 /nfs/dbraw/zinc/43/49/56/751434956.db2.gz VAIAFHSNYDVRPL-DJIMGWMZSA-N 1 1 347.459 0.426 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC000987994462 751434959 /nfs/dbraw/zinc/43/49/59/751434959.db2.gz VAIAFHSNYDVRPL-DJIMGWMZSA-N 1 1 347.459 0.426 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CC([NH2+]Cc2nc(C)no2)C1 ZINC001100733074 739326965 /nfs/dbraw/zinc/32/69/65/739326965.db2.gz KVDHAIRLWWTLHR-YMAMQOFZSA-N 1 1 349.435 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc1 ZINC000973484970 739378889 /nfs/dbraw/zinc/37/88/89/739378889.db2.gz AJJCXCPXGPIEED-FVQBIDKESA-N 1 1 340.427 0.782 20 30 ECEDMO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001104704693 739510239 /nfs/dbraw/zinc/51/02/39/739510239.db2.gz BPTHBSFBZKIEJS-OLZOCXBDSA-N 1 1 339.403 0.803 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC23CCN(c2cncc(C#N)n2)CC3)C1 ZINC001058636453 739544596 /nfs/dbraw/zinc/54/45/96/739544596.db2.gz IXKWRFQEQLXFIC-DZGCQCFKSA-N 1 1 340.431 0.775 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001025500579 739660593 /nfs/dbraw/zinc/66/05/93/739660593.db2.gz UKYPEIDDZQYMRH-DGCLKSJQSA-N 1 1 344.423 0.710 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)Cn3nnc4c3CCCC4)C2)C1 ZINC000982016552 751469885 /nfs/dbraw/zinc/46/98/85/751469885.db2.gz OOXMUBXIUUUMKE-UHFFFAOYSA-N 1 1 327.432 0.715 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001025593289 739754559 /nfs/dbraw/zinc/75/45/59/739754559.db2.gz ARMJWYOUSJLDHL-CHWSQXEVSA-N 1 1 344.419 0.824 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001025629469 739793649 /nfs/dbraw/zinc/79/36/49/739793649.db2.gz HBFJZQMXAXSXKH-KBPBESRZSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCCN(CC(N)=O)C2)CC1 ZINC001025630005 739795208 /nfs/dbraw/zinc/79/52/08/739795208.db2.gz NZDIYZXYKXGXJL-HOCLYGCPSA-N 1 1 334.464 0.034 20 30 ECEDMO COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1=NC(=O)N(C)C1)C2 ZINC001112522977 739829239 /nfs/dbraw/zinc/82/92/39/739829239.db2.gz WOKKQOYHDFIKKG-KSSFIOAISA-N 1 1 346.431 0.607 20 30 ECEDMO COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001025704723 739881390 /nfs/dbraw/zinc/88/13/90/739881390.db2.gz BCCYOBAREHGLAF-NNPSNHGLSA-N 1 1 338.407 0.894 20 30 ECEDMO COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001025705353 739883170 /nfs/dbraw/zinc/88/31/70/739883170.db2.gz MPYJKCKTMAPNOV-MTSZKFMLSA-N 1 1 339.395 0.914 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)n2cccc2)C1=O ZINC001025739772 739909007 /nfs/dbraw/zinc/90/90/07/739909007.db2.gz PMCISAGKJLEEGR-ZOFXXKQRSA-N 1 1 342.443 0.882 20 30 ECEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058660617 739955266 /nfs/dbraw/zinc/95/52/66/739955266.db2.gz DTPQZJZKWDPGLC-ZIAGYGMSSA-N 1 1 349.435 0.493 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC000982029249 751497311 /nfs/dbraw/zinc/49/73/11/751497311.db2.gz UYFSMBUWZMJZFK-HNNXBMFYSA-N 1 1 342.447 0.573 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC)C[C@H]1C(F)(F)F ZINC001112035527 740054384 /nfs/dbraw/zinc/05/43/84/740054384.db2.gz GPGOGAAHNUXHLU-IJLUTSLNSA-N 1 1 333.354 0.903 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001070003595 790301213 /nfs/dbraw/zinc/30/12/13/790301213.db2.gz WTOFRFSOCHFRMT-JKIFEVAISA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001070003595 790301220 /nfs/dbraw/zinc/30/12/20/790301220.db2.gz WTOFRFSOCHFRMT-JKIFEVAISA-N 1 1 346.435 0.112 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001070003684 790302085 /nfs/dbraw/zinc/30/20/85/790302085.db2.gz ZSUJFVZLLFSMBB-JKIFEVAISA-N 1 1 346.435 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2c[nH]nc2C)C1 ZINC001006552942 751509874 /nfs/dbraw/zinc/50/98/74/751509874.db2.gz YCDOCBUHUVGCMJ-LRDDRELGSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2c[nH]nc2C)C1 ZINC001006552942 751509879 /nfs/dbraw/zinc/50/98/79/751509879.db2.gz YCDOCBUHUVGCMJ-LRDDRELGSA-N 1 1 343.431 0.392 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCCC3)[C@@H](n2ccnn2)C1 ZINC001070006188 790306153 /nfs/dbraw/zinc/30/61/53/790306153.db2.gz IUBWADXMKRWIGO-HIFRSBDPSA-N 1 1 341.419 0.652 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc3n2CCCC3)[C@@H](n2ccnn2)C1 ZINC001070006188 790306157 /nfs/dbraw/zinc/30/61/57/790306157.db2.gz IUBWADXMKRWIGO-HIFRSBDPSA-N 1 1 341.419 0.652 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(F)cn3)C[C@H]2O)[nH]1 ZINC000957981445 751517138 /nfs/dbraw/zinc/51/71/38/751517138.db2.gz BXCFPGVNFQNFRH-BDJLRTHQSA-N 1 1 343.362 0.643 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(F)cn3)C[C@H]2O)[nH]1 ZINC000957981445 751517143 /nfs/dbraw/zinc/51/71/43/751517143.db2.gz BXCFPGVNFQNFRH-BDJLRTHQSA-N 1 1 343.362 0.643 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C(F)(F)F ZINC001112039681 740252696 /nfs/dbraw/zinc/25/26/96/740252696.db2.gz AVMVBCBIEXNSGW-IJLUTSLNSA-N 1 1 349.353 0.447 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC000982064825 751545379 /nfs/dbraw/zinc/54/53/79/751545379.db2.gz YFCFOXNSCRXZJD-CQSZACIVSA-N 1 1 341.477 0.521 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)nc3)[C@H]2C1 ZINC001083291718 740488232 /nfs/dbraw/zinc/48/82/32/740488232.db2.gz VVSVIYZCLGJMRL-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC000982089619 751588137 /nfs/dbraw/zinc/58/81/37/751588137.db2.gz ZNIVTDVQHBVACB-UHFFFAOYSA-N 1 1 328.416 0.418 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nc1 ZINC001059856991 751602990 /nfs/dbraw/zinc/60/29/90/751602990.db2.gz HRVTVJWWJDRJLX-QXSJWSMHSA-N 1 1 341.415 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H]2CCNC2=O)C3)cn1 ZINC000982122730 751617721 /nfs/dbraw/zinc/61/77/21/751617721.db2.gz OQTNEPOJHBUJCA-MRXNPFEDSA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)N(C)C)C3)cn1 ZINC000982122657 751617739 /nfs/dbraw/zinc/61/77/39/751617739.db2.gz LRXIFXIXLPFASJ-UHFFFAOYSA-N 1 1 340.427 0.689 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)N(C)C)C3)cn1 ZINC000982122657 751617741 /nfs/dbraw/zinc/61/77/41/751617741.db2.gz LRXIFXIXLPFASJ-UHFFFAOYSA-N 1 1 340.427 0.689 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)[C@@H](C)C1 ZINC001105048314 741241744 /nfs/dbraw/zinc/24/17/44/741241744.db2.gz VGGUWEXAIKANSL-UONOGXRCSA-N 1 1 330.436 0.761 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)n3cccn3)C2)nn1 ZINC001098618449 741389381 /nfs/dbraw/zinc/38/93/81/741389381.db2.gz BECPMMAKPFXYNL-ZFWWWQNUSA-N 1 1 329.408 0.785 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC001026508629 741495638 /nfs/dbraw/zinc/49/56/38/741495638.db2.gz BLNRHFBFOGHMHO-RUXDESIVSA-N 1 1 346.435 0.125 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC001026508629 741495643 /nfs/dbraw/zinc/49/56/43/741495643.db2.gz BLNRHFBFOGHMHO-RUXDESIVSA-N 1 1 346.435 0.125 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CN(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000988189456 751645355 /nfs/dbraw/zinc/64/53/55/751645355.db2.gz VHGJQDOXZPWRSW-HUUCEWRRSA-N 1 1 337.464 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000988189456 751645360 /nfs/dbraw/zinc/64/53/60/751645360.db2.gz VHGJQDOXZPWRSW-HUUCEWRRSA-N 1 1 337.464 0.836 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000974405876 741585590 /nfs/dbraw/zinc/58/55/90/741585590.db2.gz QPHHEPAPNWAUSI-VDNDLQMASA-N 1 1 340.427 0.638 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3CC)C2)nn1 ZINC001105276429 741629155 /nfs/dbraw/zinc/62/91/55/741629155.db2.gz HZFUKUGGYWFKIZ-UHFFFAOYSA-N 1 1 343.435 0.937 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3nc(C)no3)C2)nn1 ZINC001105297945 741676546 /nfs/dbraw/zinc/67/65/46/741676546.db2.gz YRQKSFMISHFSOO-UHFFFAOYSA-N 1 1 345.407 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1ccc(C#N)nn1)C(C)C ZINC001105301851 741692749 /nfs/dbraw/zinc/69/27/49/741692749.db2.gz ZAOGVBHCDNDRKI-CVEARBPZSA-N 1 1 340.431 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1ccc(C#N)nn1)C(C)C ZINC001105301851 741692751 /nfs/dbraw/zinc/69/27/51/741692751.db2.gz ZAOGVBHCDNDRKI-CVEARBPZSA-N 1 1 340.431 0.999 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058728638 741693754 /nfs/dbraw/zinc/69/37/54/741693754.db2.gz ZQQSRKNRBWKPEE-MAUKXSAKSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058728637 741693789 /nfs/dbraw/zinc/69/37/89/741693789.db2.gz ZQQSRKNRBWKPEE-CRAIPNDOSA-N 1 1 339.480 0.868 20 30 ECEDMO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F ZINC001112098063 741700670 /nfs/dbraw/zinc/70/06/70/741700670.db2.gz RENSULANOSTPIF-CHWSQXEVSA-N 1 1 345.365 0.857 20 30 ECEDMO CC#CCCCC(=O)N1CC(n2cc(C[NH2+]CCOCC)nn2)C1 ZINC001105307837 741709486 /nfs/dbraw/zinc/70/94/86/741709486.db2.gz AIGDRSZMXQWLBG-UHFFFAOYSA-N 1 1 333.436 0.981 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)nn1 ZINC001105314116 741734578 /nfs/dbraw/zinc/73/45/78/741734578.db2.gz MRAXQUCZIFPBHJ-ZDUSSCGKSA-N 1 1 342.407 0.175 20 30 ECEDMO C=CCC[N@H+]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000982156041 751664097 /nfs/dbraw/zinc/66/40/97/751664097.db2.gz GKJIXNISOGPDIH-UHFFFAOYSA-N 1 1 334.424 0.289 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccncn2)C1 ZINC001006681261 751664175 /nfs/dbraw/zinc/66/41/75/751664175.db2.gz ZHOFKJJNHNIVMU-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccncn2)C1 ZINC001006681261 751664177 /nfs/dbraw/zinc/66/41/77/751664177.db2.gz ZHOFKJJNHNIVMU-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1 ZINC000982156248 751664255 /nfs/dbraw/zinc/66/42/55/751664255.db2.gz OZVUHOCJKGFSER-FUHWJXTLSA-N 1 1 340.427 0.769 20 30 ECEDMO C#CC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1 ZINC000982156248 751664258 /nfs/dbraw/zinc/66/42/58/751664258.db2.gz OZVUHOCJKGFSER-FUHWJXTLSA-N 1 1 340.427 0.769 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)s1 ZINC001006682115 751665222 /nfs/dbraw/zinc/66/52/22/751665222.db2.gz GUJNXTGRVWUAMW-NSHDSACASA-N 1 1 331.405 0.387 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)s1 ZINC001006682115 751665226 /nfs/dbraw/zinc/66/52/26/751665226.db2.gz GUJNXTGRVWUAMW-NSHDSACASA-N 1 1 331.405 0.387 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000982161477 751669496 /nfs/dbraw/zinc/66/94/96/751669496.db2.gz RUFQRWUACFHQDX-OAHLLOKOSA-N 1 1 327.432 0.788 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1 ZINC001105328831 741828686 /nfs/dbraw/zinc/82/86/86/741828686.db2.gz YVUKHNVNBDGNDL-UHFFFAOYSA-N 1 1 344.463 0.506 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000982170822 751673855 /nfs/dbraw/zinc/67/38/55/751673855.db2.gz OGQPRYJBOYSJAZ-UHFFFAOYSA-N 1 1 326.400 0.742 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000974528898 741869483 /nfs/dbraw/zinc/86/94/83/741869483.db2.gz AXZMIWWERSNVIR-IAGOWNOFSA-N 1 1 345.443 0.181 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3n[nH]cc3C)C(C)(C)C2)C1=O ZINC000974579603 741917520 /nfs/dbraw/zinc/91/75/20/741917520.db2.gz SOTWLGAYNGBKRK-KBPBESRZSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3n[nH]cc3C)C(C)(C)C2)C1=O ZINC000974579603 741917522 /nfs/dbraw/zinc/91/75/22/741917522.db2.gz SOTWLGAYNGBKRK-KBPBESRZSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC001026879884 742016611 /nfs/dbraw/zinc/01/66/11/742016611.db2.gz DIDKRRRLVWKHKD-GDBMZVCRSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]21 ZINC000974727962 742121699 /nfs/dbraw/zinc/12/16/99/742121699.db2.gz IVOWJFZBBHWBRI-BZUAXINKSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]21 ZINC000974727962 742121701 /nfs/dbraw/zinc/12/17/01/742121701.db2.gz IVOWJFZBBHWBRI-BZUAXINKSA-N 1 1 349.475 0.979 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974738603 742137536 /nfs/dbraw/zinc/13/75/36/742137536.db2.gz CNWRDSKYIBDZAA-OLZOCXBDSA-N 1 1 331.420 0.396 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000974859164 742256624 /nfs/dbraw/zinc/25/66/24/742256624.db2.gz AZWIUUQBWMPPHC-KGLIPLIRSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000974859164 742256627 /nfs/dbraw/zinc/25/66/27/742256627.db2.gz AZWIUUQBWMPPHC-KGLIPLIRSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C(C)(C)C1 ZINC000974880501 742288504 /nfs/dbraw/zinc/28/85/04/742288504.db2.gz PDUMIMLABXEKBL-HUUCEWRRSA-N 1 1 329.448 0.999 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)C(C)(C)C1 ZINC000974891929 742297672 /nfs/dbraw/zinc/29/76/72/742297672.db2.gz RMOCZSYCADUZQK-CQSZACIVSA-N 1 1 330.436 0.792 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)C(C)(C)C1 ZINC000974891929 742297673 /nfs/dbraw/zinc/29/76/73/742297673.db2.gz RMOCZSYCADUZQK-CQSZACIVSA-N 1 1 330.436 0.792 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3csnn3)C(C)(C)C2)C1=O ZINC000974893326 742300657 /nfs/dbraw/zinc/30/06/57/742300657.db2.gz GOLQFTOUTLEMLX-OLZOCXBDSA-N 1 1 349.460 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3csnn3)C(C)(C)C2)C1=O ZINC000974893326 742300664 /nfs/dbraw/zinc/30/06/64/742300664.db2.gz GOLQFTOUTLEMLX-OLZOCXBDSA-N 1 1 349.460 0.765 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@]2(C)C1 ZINC000982233511 751739112 /nfs/dbraw/zinc/73/91/12/751739112.db2.gz SEUJJZJESSELTB-CIRFHOKZSA-N 1 1 345.447 0.574 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000982236446 751747125 /nfs/dbraw/zinc/74/71/25/751747125.db2.gz JHVLDZYVXRFGTH-SKNMWMDOSA-N 1 1 332.404 0.122 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000975279976 742688895 /nfs/dbraw/zinc/68/88/95/742688895.db2.gz JFIKXGMPBGGENJ-ZFWWWQNUSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(C(C)=O)C[C@H](C)O2 ZINC001006750241 751763716 /nfs/dbraw/zinc/76/37/16/751763716.db2.gz VDDUEDCHAWOTRC-RDJZCZTQSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(C(C)=O)C[C@H](C)O2 ZINC001006750241 751763722 /nfs/dbraw/zinc/76/37/22/751763722.db2.gz VDDUEDCHAWOTRC-RDJZCZTQSA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cn(CC)cn3)C2)C1=O ZINC001028932256 742900603 /nfs/dbraw/zinc/90/06/03/742900603.db2.gz FLMLVKSVBKLKJN-GDBMZVCRSA-N 1 1 345.447 0.742 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)cc1F ZINC001028935351 742914435 /nfs/dbraw/zinc/91/44/35/742914435.db2.gz AKKSQSSKSKXOPQ-CJNGLKHVSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000975506740 743005769 /nfs/dbraw/zinc/00/57/69/743005769.db2.gz LDQATRURCHOFIR-ZACQAIPSSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000975506740 743005778 /nfs/dbraw/zinc/00/57/78/743005778.db2.gz LDQATRURCHOFIR-ZACQAIPSSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CCc3c[nH]nn3)CC2)C1=O ZINC000997014657 743133004 /nfs/dbraw/zinc/13/30/04/743133004.db2.gz DSKKVHXIUUMNLR-HNNXBMFYSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CCc3cnn[nH]3)CC2)C1=O ZINC000997014657 743133008 /nfs/dbraw/zinc/13/30/08/743133008.db2.gz DSKKVHXIUUMNLR-HNNXBMFYSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC(=O)NCC)C2)nn1 ZINC001098641496 751798674 /nfs/dbraw/zinc/79/86/74/751798674.db2.gz USOFRYGXGXDWBE-AWEZNQCLSA-N 1 1 334.424 0.243 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1ncc(-c2cccs2)o1 ZINC001125999205 743184590 /nfs/dbraw/zinc/18/45/90/743184590.db2.gz ZUTHDHGGUZTDEB-UHFFFAOYSA-N 1 1 346.412 0.748 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001027233875 743245091 /nfs/dbraw/zinc/24/50/91/743245091.db2.gz MNVBGRDKRCKBGB-INIZCTEOSA-N 1 1 343.475 0.703 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC000975975393 743424261 /nfs/dbraw/zinc/42/42/61/743424261.db2.gz UBBMGISVZWMHIF-PMPSAXMXSA-N 1 1 348.447 0.318 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N(C)CCC1CCOCC1 ZINC000262017660 743435504 /nfs/dbraw/zinc/43/55/04/743435504.db2.gz YBQCUVQGLDYJRH-MRXNPFEDSA-N 1 1 325.501 0.556 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCOCCOC)C2)nn1 ZINC001105381182 743443233 /nfs/dbraw/zinc/44/32/33/743443233.db2.gz QYJOFMQYTQNFRL-UHFFFAOYSA-N 1 1 337.424 0.380 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)C1 ZINC001020584518 751835695 /nfs/dbraw/zinc/83/56/95/751835695.db2.gz DUJGRKQSPZYSIX-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ccon3)C2)C1=O ZINC001027316828 743649389 /nfs/dbraw/zinc/64/93/89/743649389.db2.gz HAXKKJCLHLUCIM-DZGCQCFKSA-N 1 1 332.404 0.998 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCC1 ZINC000976255604 743740585 /nfs/dbraw/zinc/74/05/85/743740585.db2.gz MAEMMSXFEFJGMD-VVLHAWIVSA-N 1 1 343.427 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCC1 ZINC000976255604 743740589 /nfs/dbraw/zinc/74/05/89/743740589.db2.gz MAEMMSXFEFJGMD-VVLHAWIVSA-N 1 1 343.427 0.351 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](CN(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000988321052 751854032 /nfs/dbraw/zinc/85/40/32/751854032.db2.gz YGUALRYJMDBKPJ-JKSUJKDBSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](CN(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000988321052 751854038 /nfs/dbraw/zinc/85/40/38/751854038.db2.gz YGUALRYJMDBKPJ-JKSUJKDBSA-N 1 1 349.475 0.980 20 30 ECEDMO C[C@H](NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CCN(CC#N)CC1 ZINC000997691602 743756324 /nfs/dbraw/zinc/75/63/24/743756324.db2.gz KIOIBMAMUBBQQL-DFFOAJLQSA-N 1 1 332.448 0.590 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000976286369 743787848 /nfs/dbraw/zinc/78/78/48/743787848.db2.gz QFPJMIGINUGWST-PFHJDOJBSA-N 1 1 347.459 0.635 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000976289398 743792000 /nfs/dbraw/zinc/79/20/00/743792000.db2.gz YLGJMTZDTOLSAF-TWMKSMIVSA-N 1 1 338.411 0.344 20 30 ECEDMO C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000997778267 743805371 /nfs/dbraw/zinc/80/53/71/743805371.db2.gz DZCPRXKZYUGKBO-ZFWWWQNUSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCO1 ZINC000976359439 743874066 /nfs/dbraw/zinc/87/40/66/743874066.db2.gz WZXYUEBXTQVBNM-DMRKSPOLSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCO1 ZINC000976359439 743874070 /nfs/dbraw/zinc/87/40/70/743874070.db2.gz WZXYUEBXTQVBNM-DMRKSPOLSA-N 1 1 345.443 0.226 20 30 ECEDMO C[N@@H+]([C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@H]1CCC(=O)NC1=O ZINC001027355391 743921774 /nfs/dbraw/zinc/92/17/74/743921774.db2.gz VGGWVHYIDQUFOL-OCCSQVGLSA-N 1 1 343.387 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC000998116524 743986305 /nfs/dbraw/zinc/98/63/05/743986305.db2.gz OTKFCIJFJMSXKD-IXDOHACOSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000998137096 743999659 /nfs/dbraw/zinc/99/96/59/743999659.db2.gz WZATZERXYBZIPD-KGLIPLIRSA-N 1 1 334.420 0.311 20 30 ECEDMO C=CCCn1cc(C(=O)N(CC)[C@@H]2CCC[N@H+](CC(N)=O)CC2)nn1 ZINC000998152456 744009450 /nfs/dbraw/zinc/00/94/50/744009450.db2.gz BWHOKIBMOKDGMD-CQSZACIVSA-N 1 1 348.451 0.656 20 30 ECEDMO C=CCCn1cc(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC(N)=O)CC2)nn1 ZINC000998152456 744009453 /nfs/dbraw/zinc/00/94/53/744009453.db2.gz BWHOKIBMOKDGMD-CQSZACIVSA-N 1 1 348.451 0.656 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000998152441 744009814 /nfs/dbraw/zinc/00/98/14/744009814.db2.gz BVXMVJGAGMUEAD-HUUCEWRRSA-N 1 1 343.493 0.909 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H]1C ZINC001020599434 751883372 /nfs/dbraw/zinc/88/33/72/751883372.db2.gz AGDGTETVSHWRIO-NPJQDHAYSA-N 1 1 335.448 0.777 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000998193798 744042376 /nfs/dbraw/zinc/04/23/76/744042376.db2.gz CDFOWKCBSWTGDU-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO N#CCN[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000998301907 744108341 /nfs/dbraw/zinc/10/83/41/744108341.db2.gz INQZWSUITNHKER-QWHCGFSZSA-N 1 1 348.369 0.601 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000976592584 744118722 /nfs/dbraw/zinc/11/87/22/744118722.db2.gz RGUCQAKAHITAKR-JHMPBIJASA-N 1 1 347.459 0.635 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001058773416 744199727 /nfs/dbraw/zinc/19/97/27/744199727.db2.gz IAVYPGLKSLTMGX-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000998662196 744274024 /nfs/dbraw/zinc/27/40/24/744274024.db2.gz JJFJVDVYBUNMFH-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000998750721 744314411 /nfs/dbraw/zinc/31/44/11/744314411.db2.gz FMBCHIOFXOJFRW-WDEREUQCSA-N 1 1 343.391 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnsn2)C1 ZINC000998923176 744407913 /nfs/dbraw/zinc/40/79/13/744407913.db2.gz PCYYATPJYMPWBH-ZALBZXLWSA-N 1 1 333.461 0.715 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnsn2)C1 ZINC000998923176 744407914 /nfs/dbraw/zinc/40/79/14/744407914.db2.gz PCYYATPJYMPWBH-ZALBZXLWSA-N 1 1 333.461 0.715 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982305946 751925318 /nfs/dbraw/zinc/92/53/18/751925318.db2.gz BFFHJHHZVHTTBB-RWQQGDIJSA-N 1 1 333.476 0.899 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000999290087 744603430 /nfs/dbraw/zinc/60/34/30/744603430.db2.gz HFMPQBYNORTOMH-CABCVRRESA-N 1 1 333.432 0.533 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnnn2CCC)C1 ZINC000999432275 744695048 /nfs/dbraw/zinc/69/50/48/744695048.db2.gz WANRXKBSVZUHRY-CVSAEHQPSA-N 1 1 348.451 0.753 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cncn3C)C2)C1=O ZINC001027482635 744736439 /nfs/dbraw/zinc/73/64/39/744736439.db2.gz FDTJMXGZUASDDF-GJZGRUSLSA-N 1 1 345.447 0.743 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000977206929 744767871 /nfs/dbraw/zinc/76/78/71/744767871.db2.gz HAFZNSUAUAILRP-HSMHQDCBSA-N 1 1 341.415 0.271 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC([NH2+][C@@H](C)c3nnnn3C)C2)cn1 ZINC000999714637 744862890 /nfs/dbraw/zinc/86/28/90/744862890.db2.gz YATUUHZFCYLKFQ-QGLTVNCISA-N 1 1 339.403 0.540 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cnn(C)n3)C(C)(C)C2)C1=O ZINC000977340663 744879369 /nfs/dbraw/zinc/87/93/69/744879369.db2.gz YHWTXZLCCNBTIL-KBPBESRZSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cnn(C)n3)C(C)(C)C2)C1=O ZINC000977340663 744879372 /nfs/dbraw/zinc/87/93/72/744879372.db2.gz YHWTXZLCCNBTIL-KBPBESRZSA-N 1 1 346.435 0.042 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999752843 744885766 /nfs/dbraw/zinc/88/57/66/744885766.db2.gz IHJQSBQEIIJABJ-UHFFFAOYSA-N 1 1 338.415 0.513 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3ccncn3)C(C)(C)C2)C1=O ZINC000977372146 744899678 /nfs/dbraw/zinc/89/96/78/744899678.db2.gz RLMAVTOANYYEPS-GJZGRUSLSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3ccncn3)C(C)(C)C2)C1=O ZINC000977372146 744899680 /nfs/dbraw/zinc/89/96/80/744899680.db2.gz RLMAVTOANYYEPS-GJZGRUSLSA-N 1 1 343.431 0.704 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1C ZINC001088565395 751955542 /nfs/dbraw/zinc/95/55/42/751955542.db2.gz OBWLOJZUNVNZSX-NFAWXSAZSA-N 1 1 331.420 0.918 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC000999954589 745094012 /nfs/dbraw/zinc/09/40/12/745094012.db2.gz ACFIFGROCHLCGK-CQSZACIVSA-N 1 1 325.376 0.268 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 ZINC000999962881 745105838 /nfs/dbraw/zinc/10/58/38/745105838.db2.gz NMTPNCAMVBFRKK-OCCSQVGLSA-N 1 1 339.827 0.930 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 ZINC000999962881 745105842 /nfs/dbraw/zinc/10/58/42/745105842.db2.gz NMTPNCAMVBFRKK-OCCSQVGLSA-N 1 1 339.827 0.930 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(CC)c3)nn2)C1 ZINC000999963916 745108044 /nfs/dbraw/zinc/10/80/44/745108044.db2.gz VWAIUMKKVAPYSQ-INIZCTEOSA-N 1 1 341.419 0.695 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C)n3C)nn2)C1 ZINC000999966836 745111539 /nfs/dbraw/zinc/11/15/39/745111539.db2.gz NNVSBSCNKCDTBF-OAHLLOKOSA-N 1 1 326.404 0.735 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(CC)n[nH]3)nn2)C1 ZINC000999969146 745114763 /nfs/dbraw/zinc/11/47/63/745114763.db2.gz VSJCNILZXLGMFA-HNNXBMFYSA-N 1 1 341.419 0.764 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)no3)nn2)C1 ZINC000999969094 745115239 /nfs/dbraw/zinc/11/52/39/745115239.db2.gz VGQOXLHQTMPKPM-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)n(C)n3)nn2)C1 ZINC000999969880 745115698 /nfs/dbraw/zinc/11/56/98/745115698.db2.gz ZIYWUJGIOYKVGO-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]cc3C)nn2)C1 ZINC000999980009 745129693 /nfs/dbraw/zinc/12/96/93/745129693.db2.gz BAEISRMULBGKJI-AWEZNQCLSA-N 1 1 327.392 0.510 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CCCO)CC1(C)C ZINC000977510981 745129798 /nfs/dbraw/zinc/12/97/98/745129798.db2.gz HHYBQCMCZOQFCK-OAHLLOKOSA-N 1 1 331.416 0.916 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nccn3CC)nn2)C1 ZINC000999982677 745134761 /nfs/dbraw/zinc/13/47/61/745134761.db2.gz GCNMSKZTOCWTII-CQSZACIVSA-N 1 1 327.392 0.305 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000977517345 745138654 /nfs/dbraw/zinc/13/86/54/745138654.db2.gz KBUXYJHKEPVBMF-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CCC(O)CC3)nn2)C1 ZINC000999985919 745139101 /nfs/dbraw/zinc/13/91/01/745139101.db2.gz RDVCSYPQJCTSOD-ARWYELJZSA-N 1 1 345.447 0.716 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[N@H+]([C@@H]2CCNC2=O)CC1(C)C ZINC000977524341 745142760 /nfs/dbraw/zinc/14/27/60/745142760.db2.gz DIOAHFSUMWSEJW-SJORKVTESA-N 1 1 339.439 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CC1(C)C ZINC000977524341 745142763 /nfs/dbraw/zinc/14/27/63/745142763.db2.gz DIOAHFSUMWSEJW-SJORKVTESA-N 1 1 339.439 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)nc1 ZINC000977527427 745147265 /nfs/dbraw/zinc/14/72/65/745147265.db2.gz REQNKIFAGWSQPF-BBRMVZONSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)nc1 ZINC000977527427 745147269 /nfs/dbraw/zinc/14/72/69/745147269.db2.gz REQNKIFAGWSQPF-BBRMVZONSA-N 1 1 342.443 0.980 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 ZINC000999992051 745149368 /nfs/dbraw/zinc/14/93/68/745149368.db2.gz OFFTYKNQWWYTEM-HZPDHXFCSA-N 1 1 345.451 0.537 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 ZINC000999995712 745154771 /nfs/dbraw/zinc/15/47/71/745154771.db2.gz HHDPJRBTWZFJBD-CABCVRRESA-N 1 1 331.424 0.149 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 ZINC000999995719 745155037 /nfs/dbraw/zinc/15/50/37/745155037.db2.gz HHDPJRBTWZFJBD-HUUCEWRRSA-N 1 1 331.424 0.149 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CC(OC)C3)nn2)C1 ZINC000999995825 745155777 /nfs/dbraw/zinc/15/57/77/745155777.db2.gz HZJDNTTUPCQKFP-OGVSOVDVSA-N 1 1 331.420 0.589 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]c4c3CCC4)nn2)C1 ZINC001000001721 745164894 /nfs/dbraw/zinc/16/48/94/745164894.db2.gz FVJSHORKAZNJHX-ZDUSSCGKSA-N 1 1 341.419 0.853 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)nn2)C1 ZINC001000008614 745176257 /nfs/dbraw/zinc/17/62/57/745176257.db2.gz JJUOFPMVPHIPSF-CAOSSQGBSA-N 1 1 329.404 0.057 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088570008 751978425 /nfs/dbraw/zinc/97/84/25/751978425.db2.gz WKZOMLXNBPKPLA-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088570008 751978430 /nfs/dbraw/zinc/97/84/30/751978430.db2.gz WKZOMLXNBPKPLA-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3csc(=O)[nH]3)nn2)C1 ZINC001000013277 745182556 /nfs/dbraw/zinc/18/25/56/745182556.db2.gz HEKLHYMBIZOFOT-NSHDSACASA-N 1 1 334.405 0.803 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C)n3C)nn2)C1 ZINC001000018068 745188164 /nfs/dbraw/zinc/18/81/64/745188164.db2.gz WQFSCFVOSSNLOY-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ocnc3CC)nn2)C1 ZINC001000021745 745192970 /nfs/dbraw/zinc/19/29/70/745192970.db2.gz TWQBTJWJGRTNOG-CYBMUJFWSA-N 1 1 328.376 0.639 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(CC)nn3C)nn2)C1 ZINC001000033951 745208761 /nfs/dbraw/zinc/20/87/61/745208761.db2.gz HRUOZWSZOBUFRJ-OAHLLOKOSA-N 1 1 341.419 0.384 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC(=O)N(C)C3)nn2)C1 ZINC001000042449 745222210 /nfs/dbraw/zinc/22/22/10/745222210.db2.gz MBWYOBRFKVDXSF-UKRRQHHQSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)nn1 ZINC001098697363 745224203 /nfs/dbraw/zinc/22/42/03/745224203.db2.gz FZCUKPPLUGFAHT-CQSZACIVSA-N 1 1 345.407 0.651 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000977584093 745243342 /nfs/dbraw/zinc/24/33/42/745243342.db2.gz HTXBSHVXASHRNV-GFCCVEGCSA-N 1 1 336.436 0.720 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000977604046 745255880 /nfs/dbraw/zinc/25/58/80/745255880.db2.gz PYLORYCEUHSTSM-OLZOCXBDSA-N 1 1 329.466 0.471 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059235094 745299356 /nfs/dbraw/zinc/29/93/56/745299356.db2.gz IVWWYWYKQFKLOP-UMVBOHGHSA-N 1 1 347.394 0.872 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059235094 745299360 /nfs/dbraw/zinc/29/93/60/745299360.db2.gz IVWWYWYKQFKLOP-UMVBOHGHSA-N 1 1 347.394 0.872 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C(C)(C)C1 ZINC000977621477 745307631 /nfs/dbraw/zinc/30/76/31/745307631.db2.gz BYMQEXFGQDIRCD-IAGOWNOFSA-N 1 1 333.476 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]cc1C ZINC000977691571 745403798 /nfs/dbraw/zinc/40/37/98/745403798.db2.gz KGKCHKWVDJXCJE-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1n[nH]cc1C ZINC000977691571 745403802 /nfs/dbraw/zinc/40/38/02/745403802.db2.gz KGKCHKWVDJXCJE-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccnnc2)C1 ZINC001006955135 752002274 /nfs/dbraw/zinc/00/22/74/752002274.db2.gz PCBPKRJQHKJHJY-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccnnc2)C1 ZINC001006955135 752002283 /nfs/dbraw/zinc/00/22/83/752002283.db2.gz PCBPKRJQHKJHJY-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)c1 ZINC001029259222 745464189 /nfs/dbraw/zinc/46/41/89/745464189.db2.gz BBZBARFMHIUUKJ-OKILXGFUSA-N 1 1 325.376 0.467 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)c1 ZINC001029259222 745464194 /nfs/dbraw/zinc/46/41/94/745464194.db2.gz BBZBARFMHIUUKJ-OKILXGFUSA-N 1 1 325.376 0.467 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105360773 752006438 /nfs/dbraw/zinc/00/64/38/752006438.db2.gz HJHWXSSXNHWCMR-UHFFFAOYSA-N 1 1 330.436 0.423 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000983925077 745523749 /nfs/dbraw/zinc/52/37/49/745523749.db2.gz XULOGGZLNOTZNK-HOTGVXAUSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000983925077 745523752 /nfs/dbraw/zinc/52/37/52/745523752.db2.gz XULOGGZLNOTZNK-HOTGVXAUSA-N 1 1 343.431 0.570 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3cnsn3)CC2)C1=O ZINC001000475426 745530156 /nfs/dbraw/zinc/53/01/56/745530156.db2.gz IUQLTUZUAOEWKE-AWEZNQCLSA-N 1 1 347.444 0.687 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3cnns3)CC2)C1=O ZINC001000475340 745530421 /nfs/dbraw/zinc/53/04/21/745530421.db2.gz HDFUSHUYZBHPQI-ZDUSSCGKSA-N 1 1 347.444 0.687 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)[nH]1 ZINC001083414076 745531270 /nfs/dbraw/zinc/53/12/70/745531270.db2.gz KJWPEIJHXLWXOA-IKGGRYGDSA-N 1 1 346.431 0.602 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3n[nH]cc3F)C2)C1=O ZINC001027566519 745561561 /nfs/dbraw/zinc/56/15/61/745561561.db2.gz KEMOKMVOPCOVIE-JSGCOSHPSA-N 1 1 349.410 0.872 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001027568078 745588679 /nfs/dbraw/zinc/58/86/79/745588679.db2.gz AGKFEVWIYQFAFM-LLVKDONJSA-N 1 1 341.437 0.170 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ocnc1C ZINC000977923169 745653436 /nfs/dbraw/zinc/65/34/36/745653436.db2.gz AQHICLMOLWSQLW-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ocnc1C ZINC000977923169 745653439 /nfs/dbraw/zinc/65/34/39/745653439.db2.gz AQHICLMOLWSQLW-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3COC(=O)N3)CC2)cc1 ZINC001000641357 745656328 /nfs/dbraw/zinc/65/63/28/745656328.db2.gz YADQFZYYAFZFPF-INIZCTEOSA-N 1 1 340.383 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cccnc2)C1 ZINC001000663138 745679506 /nfs/dbraw/zinc/67/95/06/745679506.db2.gz LNLISIRZXPHYAW-INIZCTEOSA-N 1 1 326.400 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cccnc2)C1 ZINC001000663138 745679511 /nfs/dbraw/zinc/67/95/11/745679511.db2.gz LNLISIRZXPHYAW-INIZCTEOSA-N 1 1 326.400 0.367 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCNC1=O ZINC001029312182 745680841 /nfs/dbraw/zinc/68/08/41/745680841.db2.gz URBKGOUQQNFLGO-ALYAQQCSSA-N 1 1 347.459 0.921 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027573954 745684145 /nfs/dbraw/zinc/68/41/45/745684145.db2.gz LHODAFIJKWOVNC-FRRDWIJNSA-N 1 1 329.828 0.695 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027573954 745684148 /nfs/dbraw/zinc/68/41/48/745684148.db2.gz LHODAFIJKWOVNC-FRRDWIJNSA-N 1 1 329.828 0.695 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000977948958 745702132 /nfs/dbraw/zinc/70/21/32/745702132.db2.gz VZPVACRRBTULRK-RBSFLKMASA-N 1 1 337.464 0.977 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000977948958 745702136 /nfs/dbraw/zinc/70/21/36/745702136.db2.gz VZPVACRRBTULRK-RBSFLKMASA-N 1 1 337.464 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)COCCC)C1 ZINC001059288832 745713836 /nfs/dbraw/zinc/71/38/36/745713836.db2.gz LJFONXDVHOSTCL-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)COCCC)C1 ZINC001059288832 745713840 /nfs/dbraw/zinc/71/38/40/745713840.db2.gz LJFONXDVHOSTCL-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCN(C)C2=O)cn1 ZINC001028271130 752027060 /nfs/dbraw/zinc/02/70/60/752027060.db2.gz ZELYYBXSULJJLG-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCN(C)C2=O)cn1 ZINC001028271130 752027065 /nfs/dbraw/zinc/02/70/65/752027065.db2.gz ZELYYBXSULJJLG-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCNC1=O ZINC001029342458 745759179 /nfs/dbraw/zinc/75/91/79/745759179.db2.gz PQINBQIGMBQDBS-YVSFHVDLSA-N 1 1 344.459 0.038 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(CC(=O)NC2CC2)CC1 ZINC001000791995 745769755 /nfs/dbraw/zinc/76/97/55/745769755.db2.gz UVNLJFNZMKLZNJ-KRWDZBQOSA-N 1 1 344.459 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(CC(=O)NC2CC2)CC1 ZINC001000791995 745769759 /nfs/dbraw/zinc/76/97/59/745769759.db2.gz UVNLJFNZMKLZNJ-KRWDZBQOSA-N 1 1 344.459 0.111 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4coc(C)n4)[C@@H]3C2)C1=O ZINC000978043789 745821965 /nfs/dbraw/zinc/82/19/65/745821965.db2.gz JKJQOHNGMQTWDX-AYDFFVQHSA-N 1 1 344.415 0.678 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CCn1cncn1 ZINC001087545674 745938699 /nfs/dbraw/zinc/93/86/99/745938699.db2.gz WYUZGCRBOUWBJM-DZGCQCFKSA-N 1 1 327.392 0.761 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(CCOC)nc3C)[C@@H]2C1 ZINC000978157102 745989027 /nfs/dbraw/zinc/98/90/27/745989027.db2.gz IVMWIUSEKTVQRI-XGBSXSJOSA-N 1 1 330.432 0.769 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001059338134 746014149 /nfs/dbraw/zinc/01/41/49/746014149.db2.gz YKGYBODSVLPYQZ-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc4nnnn4c3)C[C@@]2(C)C1 ZINC000982366988 752055735 /nfs/dbraw/zinc/05/57/35/752055735.db2.gz YZXAWPWHUNKXJD-HDICACEKSA-N 1 1 338.415 0.932 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c1 ZINC001007029129 752054342 /nfs/dbraw/zinc/05/43/42/752054342.db2.gz LHERXVUJSDRRGF-UKRRQHHQSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)nn3)[C@H]2CC)C1=O ZINC001087563204 746040320 /nfs/dbraw/zinc/04/03/20/746040320.db2.gz JXHUNNUMJVFECY-CFVMTHIKSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)nn3)[C@H]2CC)C1=O ZINC001087563204 746040327 /nfs/dbraw/zinc/04/03/27/746040327.db2.gz JXHUNNUMJVFECY-CFVMTHIKSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC000978250822 746083757 /nfs/dbraw/zinc/08/37/57/746083757.db2.gz XDTRPYUXVVKAFB-YHUYYLMFSA-N 1 1 335.448 0.351 20 30 ECEDMO O=C(NCC1=CC[N@H+](CC#Cc2ccccc2)CC1)[C@H]1CNC(=O)N1 ZINC001001115619 746088989 /nfs/dbraw/zinc/08/89/89/746088989.db2.gz VVQIFCKTQGTVJD-QGZVFWFLSA-N 1 1 338.411 0.468 20 30 ECEDMO O=C(NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1)[C@H]1CNC(=O)N1 ZINC001001115619 746088994 /nfs/dbraw/zinc/08/89/94/746088994.db2.gz VVQIFCKTQGTVJD-QGZVFWFLSA-N 1 1 338.411 0.468 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@@H+]([C@@H](CC)C(N)=O)CC2)c1 ZINC001001129740 746099571 /nfs/dbraw/zinc/09/95/71/746099571.db2.gz VXUSIRJDNXMJFU-INIZCTEOSA-N 1 1 326.400 0.689 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)[C@H]1CC ZINC001087592210 746103988 /nfs/dbraw/zinc/10/39/88/746103988.db2.gz FNVRSKTTZXGCNY-HRCADAONSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)[C@@H]1CC ZINC001087607135 746115370 /nfs/dbraw/zinc/11/53/70/746115370.db2.gz NDKCAMJHTHKBAF-KSZLIROESA-N 1 1 343.475 0.987 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CCn3cccn3)C2)nn1 ZINC001027606542 746132798 /nfs/dbraw/zinc/13/27/98/746132798.db2.gz HQSJEWNFRTWNPU-OAHLLOKOSA-N 1 1 343.435 0.897 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3cnsn3)C[C@H]21 ZINC000978281724 746143809 /nfs/dbraw/zinc/14/38/09/746143809.db2.gz LTSQMPZVMLXKAM-JONQDZQNSA-N 1 1 345.472 0.430 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3cnsn3)C[C@H]21 ZINC000978281724 746143811 /nfs/dbraw/zinc/14/38/11/746143811.db2.gz LTSQMPZVMLXKAM-JONQDZQNSA-N 1 1 345.472 0.430 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001059349782 746157459 /nfs/dbraw/zinc/15/74/59/746157459.db2.gz MCLDTKHBXWKEBL-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001001208146 746161728 /nfs/dbraw/zinc/16/17/28/746161728.db2.gz RDLHOEMYTGJLOQ-MRXNPFEDSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001001218986 746173951 /nfs/dbraw/zinc/17/39/51/746173951.db2.gz LHKRILLAMAYCAG-UHFFFAOYSA-N 1 1 332.404 0.022 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC000978324405 746180109 /nfs/dbraw/zinc/18/01/09/746180109.db2.gz QIFIWPHIUUNTIN-QKDCVEJESA-N 1 1 339.395 0.948 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001059352050 746180891 /nfs/dbraw/zinc/18/08/91/746180891.db2.gz OANYYZNOQJMAIT-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC001001263243 746222921 /nfs/dbraw/zinc/22/29/21/746222921.db2.gz IVWGKJNZCWBSSD-DLBZAZTESA-N 1 1 348.491 0.696 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3-n3ccnn3)[C@@H]2C1 ZINC000978342253 746224379 /nfs/dbraw/zinc/22/43/79/746224379.db2.gz DTBSLBIIHYMYMX-XYYAHUGASA-N 1 1 327.413 0.870 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001087709316 746229847 /nfs/dbraw/zinc/22/98/47/746229847.db2.gz RFYMASKXGJQHMG-UONOGXRCSA-N 1 1 330.388 0.521 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001087709316 746229850 /nfs/dbraw/zinc/22/98/50/746229850.db2.gz RFYMASKXGJQHMG-UONOGXRCSA-N 1 1 330.388 0.521 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1CC ZINC001087746541 746275929 /nfs/dbraw/zinc/27/59/29/746275929.db2.gz DPOYAXMDJUYRAI-UONOGXRCSA-N 1 1 334.420 0.243 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H]1CC ZINC001087762339 746297532 /nfs/dbraw/zinc/29/75/32/746297532.db2.gz PDHSYYLQTUTFMX-UONOGXRCSA-N 1 1 327.388 0.547 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H]1CC ZINC001087762382 746297665 /nfs/dbraw/zinc/29/76/65/746297665.db2.gz RKVLQQZDKVWJAX-LSDHHAIUSA-N 1 1 341.415 0.937 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC000978420076 746319090 /nfs/dbraw/zinc/31/90/90/746319090.db2.gz GOWNCFGCPDIITL-XHSDSOJGSA-N 1 1 346.431 0.842 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+]([C@H](C)C(=O)NC)CC2)cn1 ZINC001001381266 746327896 /nfs/dbraw/zinc/32/78/96/746327896.db2.gz NANSYNQLHJVJEJ-CYBMUJFWSA-N 1 1 326.400 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@H](C)C(=O)NC)CC2)cn1 ZINC001001381266 746327903 /nfs/dbraw/zinc/32/79/03/746327903.db2.gz NANSYNQLHJVJEJ-CYBMUJFWSA-N 1 1 326.400 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+]([C@H]3CCCNC3=O)CC2)nc1 ZINC001001384130 746330380 /nfs/dbraw/zinc/33/03/80/746330380.db2.gz PDMZVENIDQNHDC-KRWDZBQOSA-N 1 1 338.411 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC000984349948 746331374 /nfs/dbraw/zinc/33/13/74/746331374.db2.gz KANMVZNKSKJECZ-GJZGRUSLSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC000984349948 746331379 /nfs/dbraw/zinc/33/13/79/746331379.db2.gz KANMVZNKSKJECZ-GJZGRUSLSA-N 1 1 343.431 0.570 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C(N)=O)cn3C)[C@@H]2C1 ZINC000978444903 746332292 /nfs/dbraw/zinc/33/22/92/746332292.db2.gz UEIAMGBQPRAWIG-XYYAHUGASA-N 1 1 336.823 0.784 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cccnn3)C2)C1=O ZINC001027624301 746336456 /nfs/dbraw/zinc/33/64/56/746336456.db2.gz DGRSACWMXVXGSP-GOEBONIOSA-N 1 1 343.431 0.800 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2CC)nc1 ZINC001087800250 746360948 /nfs/dbraw/zinc/36/09/48/746360948.db2.gz JVELGZJPCTXYBE-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2CC)nc1 ZINC001087800250 746360950 /nfs/dbraw/zinc/36/09/50/746360950.db2.gz JVELGZJPCTXYBE-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H]2CC)cn1 ZINC001087801597 746362598 /nfs/dbraw/zinc/36/25/98/746362598.db2.gz XCHIQVCWIXOHPD-DLBZAZTESA-N 1 1 338.415 0.937 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3ccn(C)n3)CC2)C1=O ZINC001001454482 746392911 /nfs/dbraw/zinc/39/29/11/746392911.db2.gz XJIHCWQUNUBIKM-INIZCTEOSA-N 1 1 343.431 0.569 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC000978519524 746393982 /nfs/dbraw/zinc/39/39/82/746393982.db2.gz HLYTZIQPFXTOHN-JONQDZQNSA-N 1 1 343.431 0.626 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nncn4CC3)[C@@H]2C1 ZINC000978529316 746409210 /nfs/dbraw/zinc/40/92/10/746409210.db2.gz MCFCNTOUOZBEPF-YHUYYLMFSA-N 1 1 327.432 0.548 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001484458 746423667 /nfs/dbraw/zinc/42/36/67/746423667.db2.gz LHVHHYWLLFOYKG-UHFFFAOYSA-N 1 1 326.360 0.280 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001502649 746438970 /nfs/dbraw/zinc/43/89/70/746438970.db2.gz SFZMLQRORMXSRF-HNNXBMFYSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001027639403 746449892 /nfs/dbraw/zinc/44/98/92/746449892.db2.gz WLGLXYWJWFRQIR-CYBMUJFWSA-N 1 1 336.436 0.816 20 30 ECEDMO Cc1nc(CC[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cs1 ZINC001083418201 746450927 /nfs/dbraw/zinc/45/09/27/746450927.db2.gz WYBBPOHSRQTAFK-CABCVRRESA-N 1 1 345.428 0.669 20 30 ECEDMO Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cs1 ZINC001083418201 746450929 /nfs/dbraw/zinc/45/09/29/746450929.db2.gz WYBBPOHSRQTAFK-CABCVRRESA-N 1 1 345.428 0.669 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001059382088 746510252 /nfs/dbraw/zinc/51/02/52/746510252.db2.gz ITQZQJYKGILIJK-KKUMJFAQSA-N 1 1 342.447 0.951 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978651797 746525373 /nfs/dbraw/zinc/52/53/73/746525373.db2.gz SLCQULSZFKYKKH-LNSITVRQSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000978667229 746558026 /nfs/dbraw/zinc/55/80/26/746558026.db2.gz LHLMNPNJXMTJJN-TWMKSMIVSA-N 1 1 346.475 0.189 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000978670166 746586071 /nfs/dbraw/zinc/58/60/71/746586071.db2.gz XGXQVVSYAXNRGM-YHUYYLMFSA-N 1 1 331.460 0.951 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)c1 ZINC000978694893 746590350 /nfs/dbraw/zinc/59/03/50/746590350.db2.gz FLDUKKYPJDZOIK-PHZGNYQRSA-N 1 1 326.400 0.059 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)cn1 ZINC001027656566 746599203 /nfs/dbraw/zinc/59/92/03/746599203.db2.gz TULQCDVQQVZWGX-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978730399 746642812 /nfs/dbraw/zinc/64/28/12/746642812.db2.gz FABOSHABONGPNO-LNSITVRQSA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000978730406 746642977 /nfs/dbraw/zinc/64/29/77/746642977.db2.gz FEYHSPJNFDZCGW-NFAWXSAZSA-N 1 1 343.431 0.853 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)COC)C[C@H]32)nn1 ZINC000978812168 746733667 /nfs/dbraw/zinc/73/36/67/746733667.db2.gz DZIWPYGEBFNDNW-ZQDZILKHSA-N 1 1 333.436 0.797 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nonc4C)C[C@H]32)nn1 ZINC000978817104 746743221 /nfs/dbraw/zinc/74/32/21/746743221.db2.gz MTJWXVASOWBISZ-XYYAHUGASA-N 1 1 343.391 0.263 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nonc4C)C[C@H]32)nn1 ZINC000978817104 746743224 /nfs/dbraw/zinc/74/32/24/746743224.db2.gz MTJWXVASOWBISZ-XYYAHUGASA-N 1 1 343.391 0.263 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC4CCOCC4)C[C@H]32)nn1 ZINC000978817144 746743441 /nfs/dbraw/zinc/74/34/41/746743441.db2.gz MYYFDXBGUZDBGV-PHZGNYQRSA-N 1 1 345.447 0.798 20 30 ECEDMO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C3)C1 ZINC001001817867 746743433 /nfs/dbraw/zinc/74/34/33/746743433.db2.gz HIKWKEVHFAHPIH-WCVJEAGWSA-N 1 1 347.459 0.921 20 30 ECEDMO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C3)C1 ZINC001001817867 746743435 /nfs/dbraw/zinc/74/34/35/746743435.db2.gz HIKWKEVHFAHPIH-WCVJEAGWSA-N 1 1 347.459 0.921 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087958715 746743616 /nfs/dbraw/zinc/74/36/16/746743616.db2.gz ASUCPQQGPREVPM-CVEARBPZSA-N 1 1 343.427 0.329 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H]2C1 ZINC000978851770 746799433 /nfs/dbraw/zinc/79/94/33/746799433.db2.gz FXNKSUGJSJLUDB-HSFUPAIVSA-N 1 1 342.443 0.606 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3nonc3C)CC2)nn1 ZINC001001919430 746807130 /nfs/dbraw/zinc/80/71/30/746807130.db2.gz UINFQXBDIYRKJG-UHFFFAOYSA-N 1 1 345.407 0.798 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](N(C)[C@@H](C)C(N)=O)C2)CC1 ZINC001027694428 746862998 /nfs/dbraw/zinc/86/29/98/746862998.db2.gz YEIRXVCXDYUVKN-HOCLYGCPSA-N 1 1 334.464 0.128 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)[C@@H]2C1 ZINC001075829805 746893778 /nfs/dbraw/zinc/89/37/78/746893778.db2.gz OBVQJFYUMPGDII-UONOGXRCSA-N 1 1 330.436 0.527 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001059427566 746894158 /nfs/dbraw/zinc/89/41/58/746894158.db2.gz NWIAQQWZLJYSEU-HIFRSBDPSA-N 1 1 343.431 0.806 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@@H]2C1 ZINC000978938734 746918227 /nfs/dbraw/zinc/91/82/27/746918227.db2.gz DXOWXMZZVFPAHD-RTCCRHLQSA-N 1 1 334.376 0.380 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000978951770 746944707 /nfs/dbraw/zinc/94/47/07/746944707.db2.gz BWGQQQYZLIXSPJ-CYJAXWMASA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000978951770 746944710 /nfs/dbraw/zinc/94/47/10/746944710.db2.gz BWGQQQYZLIXSPJ-CYJAXWMASA-N 1 1 347.459 0.522 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1 ZINC000978961961 746960155 /nfs/dbraw/zinc/96/01/55/746960155.db2.gz CWPCYWDEIAIOJQ-PHZGNYQRSA-N 1 1 343.431 0.561 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccn(C)n4)on3)[C@@H]2C1 ZINC001075832392 747120686 /nfs/dbraw/zinc/12/06/86/747120686.db2.gz VLLYGMIAULCECK-SWLSCSKDSA-N 1 1 325.372 0.855 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccn(C)n4)on3)[C@@H]2C1 ZINC001075832392 747120691 /nfs/dbraw/zinc/12/06/91/747120691.db2.gz VLLYGMIAULCECK-SWLSCSKDSA-N 1 1 325.372 0.855 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3-n3cnnn3)[C@@H]2C1 ZINC000979079943 747132873 /nfs/dbraw/zinc/13/28/73/747132873.db2.gz DICMBLYEVJAFNW-PHZGNYQRSA-N 1 1 336.399 0.593 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC001002260471 747136297 /nfs/dbraw/zinc/13/62/97/747136297.db2.gz OUXBIDGNXMJSOO-JKSUJKDBSA-N 1 1 343.431 0.805 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1 ZINC000984937139 747141253 /nfs/dbraw/zinc/14/12/53/747141253.db2.gz RESHVXAJRCIYCA-MQMHXKEQSA-N 1 1 340.387 0.983 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 ZINC000984937139 747141257 /nfs/dbraw/zinc/14/12/57/747141257.db2.gz RESHVXAJRCIYCA-MQMHXKEQSA-N 1 1 340.387 0.983 20 30 ECEDMO O=C(Cn1cnnn1)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001002304158 747196214 /nfs/dbraw/zinc/19/62/14/747196214.db2.gz RPXFVWSPGSVECJ-UHFFFAOYSA-N 1 1 342.378 0.445 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]3C2)c1 ZINC001088099315 747381683 /nfs/dbraw/zinc/38/16/83/747381683.db2.gz DRDDHCPZDLWJSA-BJJXKVORSA-N 1 1 326.400 0.331 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001007199456 752182691 /nfs/dbraw/zinc/18/26/91/752182691.db2.gz NEHWTTFPSKYYLP-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001007199456 752182695 /nfs/dbraw/zinc/18/26/95/752182695.db2.gz NEHWTTFPSKYYLP-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001059502664 747552119 /nfs/dbraw/zinc/55/21/19/747552119.db2.gz WWULRYWUFAEGBA-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC001002599305 747552538 /nfs/dbraw/zinc/55/25/38/747552538.db2.gz FDKPKOLXSAKACW-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC001002599305 747552542 /nfs/dbraw/zinc/55/25/42/747552542.db2.gz FDKPKOLXSAKACW-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cnccn3)CC2)C1=O ZINC000985225602 747576076 /nfs/dbraw/zinc/57/60/76/747576076.db2.gz KVHYXUNKBWIOOU-INIZCTEOSA-N 1 1 343.431 0.800 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)Cn3cccn3)CC2)C1=O ZINC000985268445 747611647 /nfs/dbraw/zinc/61/16/47/747611647.db2.gz ARGFKZSOSXICGA-MRXNPFEDSA-N 1 1 345.447 0.593 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000979324620 747614121 /nfs/dbraw/zinc/61/41/21/747614121.db2.gz JSJQHFSBWQIWNI-SIRPWMCASA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3ccon3)CC2)C1=O ZINC000985298854 747657248 /nfs/dbraw/zinc/65/72/48/747657248.db2.gz JLGKQJHPHJIYGO-HNNXBMFYSA-N 1 1 332.404 0.998 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N(C)C)nn3)C[C@@H]2C1 ZINC001088173843 747682204 /nfs/dbraw/zinc/68/22/04/747682204.db2.gz VWOUHGXXZYZHGP-CABCVRRESA-N 1 1 327.432 0.960 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@@H]2C1 ZINC001088187105 747704463 /nfs/dbraw/zinc/70/44/63/747704463.db2.gz HCCRBZLDAQGOHX-IXDOHACOSA-N 1 1 335.448 0.590 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC001088187435 747705558 /nfs/dbraw/zinc/70/55/58/747705558.db2.gz XQBYIEZBIBXRPS-CABCVRRESA-N 1 1 333.436 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001002739216 747718510 /nfs/dbraw/zinc/71/85/10/747718510.db2.gz ZVFCSWJAWMODNT-KBPBESRZSA-N 1 1 339.386 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001002739216 747718514 /nfs/dbraw/zinc/71/85/14/747718514.db2.gz ZVFCSWJAWMODNT-KBPBESRZSA-N 1 1 339.386 0.704 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC001088233436 747791385 /nfs/dbraw/zinc/79/13/85/747791385.db2.gz QAARCJKCFMFGIS-IAGOWNOFSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cnn(CC)n3)CC2)C1 ZINC001088233762 747797674 /nfs/dbraw/zinc/79/76/74/747797674.db2.gz YYISUYNREATXQB-MRXNPFEDSA-N 1 1 345.447 0.874 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001088235167 747814811 /nfs/dbraw/zinc/81/48/11/747814811.db2.gz LPOMAORUEHTVOL-HZPDHXFCSA-N 1 1 333.432 0.085 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001088236997 747832919 /nfs/dbraw/zinc/83/29/19/747832919.db2.gz JFMDWKYSGWJUBK-HUUCEWRRSA-N 1 1 336.436 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](OC)C(C)C)C1 ZINC001002826002 747838434 /nfs/dbraw/zinc/83/84/34/747838434.db2.gz ISYAJNQHUNAZHY-JKSUJKDBSA-N 1 1 335.448 0.330 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](OC)C(C)C)C1 ZINC001002826002 747838445 /nfs/dbraw/zinc/83/84/45/747838445.db2.gz ISYAJNQHUNAZHY-JKSUJKDBSA-N 1 1 335.448 0.330 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC001002828736 747843579 /nfs/dbraw/zinc/84/35/79/747843579.db2.gz GGQQYKLBKMLQQJ-OZSKJFCKSA-N 1 1 340.427 0.700 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC001002828736 747843587 /nfs/dbraw/zinc/84/35/87/747843587.db2.gz GGQQYKLBKMLQQJ-OZSKJFCKSA-N 1 1 340.427 0.700 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001002829854 747846209 /nfs/dbraw/zinc/84/62/09/747846209.db2.gz PCYUYDVUKOFRGE-INIZCTEOSA-N 1 1 339.399 0.172 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001002829854 747846219 /nfs/dbraw/zinc/84/62/19/747846219.db2.gz PCYUYDVUKOFRGE-INIZCTEOSA-N 1 1 339.399 0.172 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]Cc3cnon3)C2)nc1 ZINC000979442383 747848709 /nfs/dbraw/zinc/84/87/09/747848709.db2.gz GJJCUIGMTNCFTB-WBMJQRKESA-N 1 1 341.371 0.465 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C)o2)C1 ZINC001002830857 747849256 /nfs/dbraw/zinc/84/92/56/747849256.db2.gz WYGXNSZEJCPPNJ-HNNXBMFYSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C)o2)C1 ZINC001002830857 747849263 /nfs/dbraw/zinc/84/92/63/747849263.db2.gz WYGXNSZEJCPPNJ-HNNXBMFYSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(F)c[nH]2)C1 ZINC001002835694 747857004 /nfs/dbraw/zinc/85/70/04/747857004.db2.gz NVIIELUYGCSIMW-HNNXBMFYSA-N 1 1 332.379 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(F)c[nH]2)C1 ZINC001002835694 747857006 /nfs/dbraw/zinc/85/70/06/747857006.db2.gz NVIIELUYGCSIMW-HNNXBMFYSA-N 1 1 332.379 0.440 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001002869026 747899123 /nfs/dbraw/zinc/89/91/23/747899123.db2.gz GETXFUILNFCMEW-SJORKVTESA-N 1 1 329.444 0.991 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001027804415 747914405 /nfs/dbraw/zinc/91/44/05/747914405.db2.gz AMWFNKJQOSAOPO-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cnnn3C)CC2)C1=O ZINC000985407705 747924287 /nfs/dbraw/zinc/92/42/87/747924287.db2.gz KWBLIXVKHOJXBT-CQSZACIVSA-N 1 1 346.435 0.138 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001029641910 747961265 /nfs/dbraw/zinc/96/12/65/747961265.db2.gz RSDSWCZQRVWSLV-CQSZACIVSA-N 1 1 339.403 0.525 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCCC2)c1 ZINC001027813454 748004450 /nfs/dbraw/zinc/00/44/50/748004450.db2.gz UDMNKPGGRMRDBV-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)c1 ZINC001027813454 748004454 /nfs/dbraw/zinc/00/44/54/748004454.db2.gz UDMNKPGGRMRDBV-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681840 748055132 /nfs/dbraw/zinc/05/51/32/748055132.db2.gz NLDDSTKZEVBSMW-CYBMUJFWSA-N 1 1 332.379 0.853 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000979607857 748097797 /nfs/dbraw/zinc/09/77/97/748097797.db2.gz QNBIMZMKYBEBTD-UMVBOHGHSA-N 1 1 343.431 0.853 20 30 ECEDMO C[N@@H+](C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@@H]1CCC(=O)NC1=O ZINC001029708639 748122470 /nfs/dbraw/zinc/12/24/70/748122470.db2.gz VGMMCZMKIIAIBX-BXUZGUMPSA-N 1 1 343.387 0.085 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@@H]1CCC(=O)NC1=O ZINC001029708642 748123111 /nfs/dbraw/zinc/12/31/11/748123111.db2.gz VGMMCZMKIIAIBX-SMDDNHRTSA-N 1 1 343.387 0.085 20 30 ECEDMO Cn1nncc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029709566 748123480 /nfs/dbraw/zinc/12/34/80/748123480.db2.gz GBAMWUJACWZQTQ-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)C3=CCOCC3)C2)C1=O ZINC001029714967 748131268 /nfs/dbraw/zinc/13/12/68/748131268.db2.gz KLGMHGQQPGXDEN-WBVHZDCISA-N 1 1 347.459 0.900 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000979654712 748164700 /nfs/dbraw/zinc/16/47/00/748164700.db2.gz FEYHSPJNFDZCGW-YDHLFZDLSA-N 1 1 343.431 0.853 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979673453 748202688 /nfs/dbraw/zinc/20/26/88/748202688.db2.gz UMZVBOFKKSHWAC-NOLJZWGESA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2[nH]cnc2C)C1 ZINC001003131771 748214418 /nfs/dbraw/zinc/21/44/18/748214418.db2.gz CDWLRNLLQLJNOR-AWEZNQCLSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2[nH]cnc2C)C1 ZINC001003131771 748214424 /nfs/dbraw/zinc/21/44/24/748214424.db2.gz CDWLRNLLQLJNOR-AWEZNQCLSA-N 1 1 329.404 0.004 20 30 ECEDMO CN(CC1CCN(C(=O)C#CC2CC2)CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000988529420 752256499 /nfs/dbraw/zinc/25/64/99/752256499.db2.gz RMLFRXMVZRGSPK-QGZVFWFLSA-N 1 1 347.459 0.427 20 30 ECEDMO CN(CC1CCN(C(=O)C#CC2CC2)CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000988529420 752256504 /nfs/dbraw/zinc/25/65/04/752256504.db2.gz RMLFRXMVZRGSPK-QGZVFWFLSA-N 1 1 347.459 0.427 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C[C@H]2CCc3ncnn32)c[nH]1 ZINC001027835421 748383895 /nfs/dbraw/zinc/38/38/95/748383895.db2.gz CHEAHYZWZVUASJ-LSDHHAIUSA-N 1 1 339.403 0.860 20 30 ECEDMO CN1CCN(C)[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262553039 748439863 /nfs/dbraw/zinc/43/98/63/748439863.db2.gz ZMTVHQJBRWTALS-AWEZNQCLSA-N 1 1 333.436 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cnco3)CC2)C1=O ZINC000985561290 748519695 /nfs/dbraw/zinc/51/96/95/748519695.db2.gz KVHVSEWVNLNSDV-CQSZACIVSA-N 1 1 332.404 0.998 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)CCc3cnc[nH]3)C2)nc1 ZINC001003471374 748588993 /nfs/dbraw/zinc/58/89/93/748588993.db2.gz IJSUSENCOUZBLB-UHFFFAOYSA-N 1 1 337.383 0.607 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccns2)C1 ZINC000979883943 748618263 /nfs/dbraw/zinc/61/82/63/748618263.db2.gz QOQBZIIPKKTLJK-IHRRRGAJSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccns2)C1 ZINC000979883943 748618268 /nfs/dbraw/zinc/61/82/68/748618268.db2.gz QOQBZIIPKKTLJK-IHRRRGAJSA-N 1 1 346.456 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001003535486 748656613 /nfs/dbraw/zinc/65/66/13/748656613.db2.gz AOQKLWBXQLTFDM-QGZVFWFLSA-N 1 1 325.412 0.808 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccn(C)n2)C1 ZINC000979967172 748759031 /nfs/dbraw/zinc/75/90/31/748759031.db2.gz HTPNSVQXWUSOAA-DZKIICNBSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccn(C)n2)C1 ZINC000979967172 748759034 /nfs/dbraw/zinc/75/90/34/748759034.db2.gz HTPNSVQXWUSOAA-DZKIICNBSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cncs2)C1 ZINC000979968194 748761401 /nfs/dbraw/zinc/76/14/01/748761401.db2.gz QWEQJNYZOMVZIY-IHRRRGAJSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cncs2)C1 ZINC000979968194 748761405 /nfs/dbraw/zinc/76/14/05/748761405.db2.gz QWEQJNYZOMVZIY-IHRRRGAJSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nc(OC)cc(OC)n3)C[C@@H]2C1 ZINC000979985535 748779960 /nfs/dbraw/zinc/77/99/60/748779960.db2.gz KLKCFPXMNVLGLI-BFHYXJOUSA-N 1 1 344.415 0.957 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC(C)C)C2)C1 ZINC001059613294 748812837 /nfs/dbraw/zinc/81/28/37/748812837.db2.gz ZJFFEWIIYAWTQQ-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC(C)C)C2)C1 ZINC001059613294 748812839 /nfs/dbraw/zinc/81/28/39/748812839.db2.gz ZJFFEWIIYAWTQQ-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2nc(=O)n(C)[nH]2)CC1 ZINC000985659019 748827133 /nfs/dbraw/zinc/82/71/33/748827133.db2.gz VJAYHMPLSQLZCD-KGLIPLIRSA-N 1 1 349.435 0.122 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccc(OCC#N)cc2)C1 ZINC001030153204 761896214 /nfs/dbraw/zinc/89/62/14/761896214.db2.gz ASMHLWNELOBXME-KRWDZBQOSA-N 1 1 328.416 0.984 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000985697645 748883971 /nfs/dbraw/zinc/88/39/71/748883971.db2.gz RQMWMSCNGHTKPO-UHFFFAOYSA-N 1 1 334.420 0.474 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000985698216 748885080 /nfs/dbraw/zinc/88/50/80/748885080.db2.gz ZWJNQJFTXZDKOW-XHSDSOJGSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)[C@H]3CCN(C)C3=O)CC2)nn1 ZINC000985696564 748887790 /nfs/dbraw/zinc/88/77/90/748887790.db2.gz VDDNJYQVYSIYDI-HNNXBMFYSA-N 1 1 346.435 0.231 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817932 748907851 /nfs/dbraw/zinc/90/78/51/748907851.db2.gz XBOLCCPSWOLXHB-LSDHHAIUSA-N 1 1 327.469 0.724 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001087428098 748918177 /nfs/dbraw/zinc/91/81/77/748918177.db2.gz MDRRPTMFJWEBKH-IAGOWNOFSA-N 1 1 338.415 0.671 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nonc3C)C2)nn1 ZINC001029860727 748971623 /nfs/dbraw/zinc/97/16/23/748971623.db2.gz VAKIDPUCIVSVFY-CYBMUJFWSA-N 1 1 345.407 0.750 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nonc3C)C2)nn1 ZINC001029860727 748971629 /nfs/dbraw/zinc/97/16/29/748971629.db2.gz VAKIDPUCIVSVFY-CYBMUJFWSA-N 1 1 345.407 0.750 20 30 ECEDMO NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C1 ZINC000980158677 749087787 /nfs/dbraw/zinc/08/77/87/749087787.db2.gz AILYQTIMSAAKFX-BFYDXBDKSA-N 1 1 343.402 0.879 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cnc4c(c3)nnn4C)C[C@@H]2C1 ZINC000980163092 749094482 /nfs/dbraw/zinc/09/44/82/749094482.db2.gz HZTYONPCXPVDGY-CFVMTHIKSA-N 1 1 338.415 0.827 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001003973860 749096166 /nfs/dbraw/zinc/09/61/66/749096166.db2.gz GQXZFOXEMWEJLA-RDJZCZTQSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001003973860 749096172 /nfs/dbraw/zinc/09/61/72/749096172.db2.gz GQXZFOXEMWEJLA-RDJZCZTQSA-N 1 1 348.491 0.696 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980169541 749105586 /nfs/dbraw/zinc/10/55/86/749105586.db2.gz WZAAIEOVQPDLDX-ARFHVFGLSA-N 1 1 326.400 0.760 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)nn1 ZINC000980192534 749125516 /nfs/dbraw/zinc/12/55/16/749125516.db2.gz UKDCNNPTEALGHD-QLFBSQMISA-N 1 1 333.436 0.677 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCCO)C[C@@H]3C2)nn1 ZINC000980192537 749126725 /nfs/dbraw/zinc/12/67/25/749126725.db2.gz UKDCNNPTEALGHD-SOUVJXGZSA-N 1 1 333.436 0.677 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)n(C)c3=O)C[C@H]2C1 ZINC000980194614 749129069 /nfs/dbraw/zinc/12/90/69/749129069.db2.gz YCWROXRBWVYJSY-IHRRRGAJSA-N 1 1 346.431 0.100 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001004002599 749130162 /nfs/dbraw/zinc/13/01/62/749130162.db2.gz FAYQMMUQFQOKQO-OAHLLOKOSA-N 1 1 342.399 0.176 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@H]3C2)c1 ZINC000980186646 749138207 /nfs/dbraw/zinc/13/82/07/749138207.db2.gz OGRUVGBXFMWJBW-JYJNAYRXSA-N 1 1 326.400 0.760 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nc4ncccn4n3)C[C@@H]2C1 ZINC000980188315 749142527 /nfs/dbraw/zinc/14/25/27/749142527.db2.gz MDQJDTVVKBZZPH-ZNMIVQPWSA-N 1 1 338.415 0.978 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]2C1 ZINC000980211850 749191479 /nfs/dbraw/zinc/19/14/79/749191479.db2.gz UWAMJHWICNVYEI-BFHYXJOUSA-N 1 1 348.447 0.720 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000980219082 749214364 /nfs/dbraw/zinc/21/43/64/749214364.db2.gz NQVMIGYSEWBVTM-ZNMIVQPWSA-N 1 1 348.447 0.721 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC000980219786 749216459 /nfs/dbraw/zinc/21/64/59/749216459.db2.gz ONGDTTVZBFUBMA-SOUVJXGZSA-N 1 1 346.431 0.168 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nc4nccc(C)n4n3)C[C@@H]2C1 ZINC000980230100 749225617 /nfs/dbraw/zinc/22/56/17/749225617.db2.gz KHAWYMOKHHKJEC-ZNMIVQPWSA-N 1 1 338.415 0.896 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cccnn3)C2)C1=O ZINC001029871904 749241590 /nfs/dbraw/zinc/24/15/90/749241590.db2.gz ACJIOVMKKRKKAV-GDBMZVCRSA-N 1 1 343.431 0.657 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC000980253334 749259096 /nfs/dbraw/zinc/25/90/96/749259096.db2.gz NKXWENNJHRYFBK-MELADBBJSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C(N)=O)nc3)C[C@H]2C1 ZINC000980272058 749265967 /nfs/dbraw/zinc/26/59/67/749265967.db2.gz FOSCZVUQWJFRGH-KKUMJFAQSA-N 1 1 326.400 0.644 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001004198816 749305273 /nfs/dbraw/zinc/30/52/73/749305273.db2.gz ITSQQKLNTUESEU-HNNXBMFYSA-N 1 1 326.400 0.203 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNc2nccnc2C#N)C1 ZINC001114946395 749388063 /nfs/dbraw/zinc/38/80/63/749388063.db2.gz KTUKCRKLQFYCDA-DZGCQCFKSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNc2nccnc2C#N)C1 ZINC001114946395 749388069 /nfs/dbraw/zinc/38/80/69/749388069.db2.gz KTUKCRKLQFYCDA-DZGCQCFKSA-N 1 1 346.435 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nocc2C)C1 ZINC001004361575 749425438 /nfs/dbraw/zinc/42/54/38/749425438.db2.gz XPBUMEFFQRXAFB-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nocc2C)C1 ZINC001004361575 749425444 /nfs/dbraw/zinc/42/54/44/749425444.db2.gz XPBUMEFFQRXAFB-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C3=COCCO3)[C@H]2C)C1=O ZINC001088455195 749438191 /nfs/dbraw/zinc/43/81/91/749438191.db2.gz CUEKRFLZNFCWBS-HZSPNIEDSA-N 1 1 335.404 0.241 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C3=COCCO3)[C@H]2C)C1=O ZINC001088455195 749438192 /nfs/dbraw/zinc/43/81/92/749438192.db2.gz CUEKRFLZNFCWBS-HZSPNIEDSA-N 1 1 335.404 0.241 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@H+]2CCS(C)(=O)=O)CC1 ZINC001004400461 749466737 /nfs/dbraw/zinc/46/67/37/749466737.db2.gz ZUAJPMFOGUEQRB-HIFRSBDPSA-N 1 1 341.477 0.894 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CN=NC2=O)CC1 ZINC001004410313 749473972 /nfs/dbraw/zinc/47/39/72/749473972.db2.gz YXHNJVXPWIYFNZ-HNNXBMFYSA-N 1 1 331.420 0.710 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088461344 749478325 /nfs/dbraw/zinc/47/83/25/749478325.db2.gz CQUDZPOQPYPIQQ-MFKMUULPSA-N 1 1 331.405 0.385 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088461344 749478328 /nfs/dbraw/zinc/47/83/28/749478328.db2.gz CQUDZPOQPYPIQQ-MFKMUULPSA-N 1 1 331.405 0.385 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC000980386229 749485136 /nfs/dbraw/zinc/48/51/36/749485136.db2.gz HUPSETWWCJAMDF-GFCCVEGCSA-N 1 1 334.811 0.952 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC000980386229 749485142 /nfs/dbraw/zinc/48/51/42/749485142.db2.gz HUPSETWWCJAMDF-GFCCVEGCSA-N 1 1 334.811 0.952 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001004441002 749499721 /nfs/dbraw/zinc/49/97/21/749499721.db2.gz AGSIETNIZCBAHD-BXUZGUMPSA-N 1 1 329.404 0.272 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1CN(C(=O)C#CC3CC3)C1)C2 ZINC001004443331 749503995 /nfs/dbraw/zinc/50/39/95/749503995.db2.gz OYENFZRMDNOUOK-INIZCTEOSA-N 1 1 340.427 0.742 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001004460231 749527392 /nfs/dbraw/zinc/52/73/92/749527392.db2.gz YLWKZDMHBSJMJO-KRWDZBQOSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001004497705 749569659 /nfs/dbraw/zinc/56/96/59/749569659.db2.gz CUPMPCLTSPSCEL-QGZVFWFLSA-N 1 1 348.491 0.697 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000986178157 749637394 /nfs/dbraw/zinc/63/73/94/749637394.db2.gz STXHPJWGUVMBRY-FZMZJTMJSA-N 1 1 342.407 0.847 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000986188901 749647108 /nfs/dbraw/zinc/64/71/08/749647108.db2.gz VCEVSYUSVMPYLP-RISCZKNCSA-N 1 1 342.407 0.676 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001004600243 749671463 /nfs/dbraw/zinc/67/14/63/749671463.db2.gz CXKDINUSKPUCPW-OAHLLOKOSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001004602229 749672986 /nfs/dbraw/zinc/67/29/86/749672986.db2.gz MNJUMLFKQHUCMC-HNNXBMFYSA-N 1 1 346.431 0.265 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cn(C)nc1C ZINC001027944148 749678188 /nfs/dbraw/zinc/67/81/88/749678188.db2.gz VIFMGCVQGDLHLE-MSOLQXFVSA-N 1 1 343.475 0.907 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCCNc2ccncc2C#N)C1 ZINC001114946526 749678368 /nfs/dbraw/zinc/67/83/68/749678368.db2.gz ODWZYQIKHDITHP-YOEHRIQHSA-N 1 1 345.447 0.793 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCCNc2ccncc2C#N)C1 ZINC001114946526 749678373 /nfs/dbraw/zinc/67/83/73/749678373.db2.gz ODWZYQIKHDITHP-YOEHRIQHSA-N 1 1 345.447 0.793 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ncc(C)cn1 ZINC001027944542 749681210 /nfs/dbraw/zinc/68/12/10/749681210.db2.gz ZNENOZGBCOYQHH-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ncc(C)cn1 ZINC001027944542 749681213 /nfs/dbraw/zinc/68/12/13/749681213.db2.gz ZNENOZGBCOYQHH-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCCN3CC#N)CC2)C1 ZINC001004615545 749690060 /nfs/dbraw/zinc/69/00/60/749690060.db2.gz HPFSLNIENUQXIB-IAGOWNOFSA-N 1 1 334.464 0.934 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC([C@H]3CCCN3CC#N)CC2)C1 ZINC001004615545 749690064 /nfs/dbraw/zinc/69/00/64/749690064.db2.gz HPFSLNIENUQXIB-IAGOWNOFSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001004674133 749748117 /nfs/dbraw/zinc/74/81/17/749748117.db2.gz VDKUWHQBHSYMFF-NCOADZHNSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001004674133 749748123 /nfs/dbraw/zinc/74/81/23/749748123.db2.gz VDKUWHQBHSYMFF-NCOADZHNSA-N 1 1 345.443 0.226 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001078251284 782559562 /nfs/dbraw/zinc/55/95/62/782559562.db2.gz FOJAQPYTVXZBAL-HUUCEWRRSA-N 1 1 332.404 0.789 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)[C@@H]3CCOC3)CC2)C1=O ZINC001029943609 750018066 /nfs/dbraw/zinc/01/80/66/750018066.db2.gz NXLFYPJPPOZPAT-IAGOWNOFSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H](C)n3cccn3)CC2)C1=O ZINC000980747851 750081694 /nfs/dbraw/zinc/08/16/94/750081694.db2.gz AHOFRLGLUMLVAA-HZPDHXFCSA-N 1 1 345.447 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H](C)n3cccn3)CC2)C1=O ZINC000980747851 750081701 /nfs/dbraw/zinc/08/17/01/750081701.db2.gz AHOFRLGLUMLVAA-HZPDHXFCSA-N 1 1 345.447 0.765 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)C[C@@H]2C)cn1 ZINC000980769062 750124237 /nfs/dbraw/zinc/12/42/37/750124237.db2.gz BDZDZNZAPLLSRD-QWHCGFSZSA-N 1 1 339.403 0.227 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058847401 750126246 /nfs/dbraw/zinc/12/62/46/750126246.db2.gz REMCSSCQSTUQKI-OAHLLOKOSA-N 1 1 325.453 0.622 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001027977312 750141623 /nfs/dbraw/zinc/14/16/23/750141623.db2.gz PJDOOUKZQXNXAV-ZDUSSCGKSA-N 1 1 327.388 0.955 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058848445 750158012 /nfs/dbraw/zinc/15/80/12/750158012.db2.gz FVMMLEPKZIMTSY-GJZGRUSLSA-N 1 1 339.480 0.724 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001058848632 750161327 /nfs/dbraw/zinc/16/13/27/750161327.db2.gz ICSOMGPIACTIER-LSDHHAIUSA-N 1 1 325.453 0.478 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1-n1cnnn1 ZINC001027991015 750233971 /nfs/dbraw/zinc/23/39/71/750233971.db2.gz VDDHFCGYGUDVKE-LBPRGKRZSA-N 1 1 330.417 0.941 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001027993837 750249922 /nfs/dbraw/zinc/24/99/22/750249922.db2.gz BNZSWADKRWHKNT-LLVKDONJSA-N 1 1 325.390 0.145 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001027993837 750249924 /nfs/dbraw/zinc/24/99/24/750249924.db2.gz BNZSWADKRWHKNT-LLVKDONJSA-N 1 1 325.390 0.145 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[C@@H]3CCOC3)CC2)C1=O ZINC000980879226 750294860 /nfs/dbraw/zinc/29/48/60/750294860.db2.gz IHIKEGPDYDLHCE-JKSUJKDBSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[C@@H]3CCOC3)CC2)C1=O ZINC000980879226 750294865 /nfs/dbraw/zinc/29/48/65/750294865.db2.gz IHIKEGPDYDLHCE-JKSUJKDBSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cncn2C)C1=O ZINC001028003552 750325959 /nfs/dbraw/zinc/32/59/59/750325959.db2.gz JNXAGIDCPCUGBU-KBPBESRZSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cncn2C)C1=O ZINC001028003552 750325966 /nfs/dbraw/zinc/32/59/66/750325966.db2.gz JNXAGIDCPCUGBU-KBPBESRZSA-N 1 1 331.420 0.401 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001028008803 750355167 /nfs/dbraw/zinc/35/51/67/750355167.db2.gz FOFVKQFHJVPWSZ-GFCCVEGCSA-N 1 1 330.413 0.974 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3CCCCO3)CC2)C1=O ZINC000980984414 750432026 /nfs/dbraw/zinc/43/20/26/750432026.db2.gz KCVCPBFPLYGPRU-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3CCCCO3)CC2)C1=O ZINC000980984414 750432031 /nfs/dbraw/zinc/43/20/31/750432031.db2.gz KCVCPBFPLYGPRU-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cn(CC)nn3)C2)nn1 ZINC001105351624 750464211 /nfs/dbraw/zinc/46/42/11/750464211.db2.gz CXKWPYKXJNKUBH-UHFFFAOYSA-N 1 1 330.396 0.252 20 30 ECEDMO CCc1nc(C#N)cc(N(C)CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001105355551 750521969 /nfs/dbraw/zinc/52/19/69/750521969.db2.gz QQWXUZUQSWXLCJ-AWEZNQCLSA-N 1 1 346.435 0.136 20 30 ECEDMO CCc1nc(C#N)cc(N(C)CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001105355551 750521971 /nfs/dbraw/zinc/52/19/71/750521971.db2.gz QQWXUZUQSWXLCJ-AWEZNQCLSA-N 1 1 346.435 0.136 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnn(CC)n3)[C@@H]2C)nn1 ZINC000987133814 750528427 /nfs/dbraw/zinc/52/84/27/750528427.db2.gz LGOBQMWUJCYCQF-JSGCOSHPSA-N 1 1 344.423 0.468 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccc[nH]2)C1 ZINC001005697438 750534569 /nfs/dbraw/zinc/53/45/69/750534569.db2.gz CBZMNBRVUWPCOO-CJNGLKHVSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccc[nH]2)C1 ZINC001005697438 750534570 /nfs/dbraw/zinc/53/45/70/750534570.db2.gz CBZMNBRVUWPCOO-CJNGLKHVSA-N 1 1 328.416 0.689 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3nocc3C)C2)nn1 ZINC001105356431 750556887 /nfs/dbraw/zinc/55/68/87/750556887.db2.gz QRLUQQZYCJXREM-UHFFFAOYSA-N 1 1 346.391 0.564 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)[C@H]2C)nn1 ZINC000987166527 750560096 /nfs/dbraw/zinc/56/00/96/750560096.db2.gz HHZLATBUVATBLR-OLZOCXBDSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cn(C)nn3)[C@@H]2C)nn1 ZINC000987166654 750560743 /nfs/dbraw/zinc/56/07/43/750560743.db2.gz IBFXHTFQAFTTPO-GXTWGEPZSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000981337116 750603091 /nfs/dbraw/zinc/60/30/91/750603091.db2.gz HLOREFDKKTUXKD-UHFFFAOYSA-N 1 1 345.447 0.847 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981337116 750603093 /nfs/dbraw/zinc/60/30/93/750603093.db2.gz HLOREFDKKTUXKD-UHFFFAOYSA-N 1 1 345.447 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cc(OC)no2)CC1 ZINC000981364971 750627841 /nfs/dbraw/zinc/62/78/41/750627841.db2.gz DFWCQKJZBPNRHG-INIZCTEOSA-N 1 1 346.431 0.815 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cc(OC)no2)CC1 ZINC000981364971 750627845 /nfs/dbraw/zinc/62/78/45/750627845.db2.gz DFWCQKJZBPNRHG-INIZCTEOSA-N 1 1 346.431 0.815 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000981542236 750792213 /nfs/dbraw/zinc/79/22/13/750792213.db2.gz KRLRAGBSJODMHJ-UHFFFAOYSA-N 1 1 325.390 0.098 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2sccc2-n2cnnn2)CC1 ZINC000981541949 750792277 /nfs/dbraw/zinc/79/22/77/750792277.db2.gz ADYJQJLKLOFVCJ-UHFFFAOYSA-N 1 1 330.417 0.895 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC000987413354 750810290 /nfs/dbraw/zinc/81/02/90/750810290.db2.gz FHQLEVONRCEAEN-CZUORRHYSA-N 1 1 338.415 0.513 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC([C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001005936297 750817710 /nfs/dbraw/zinc/81/77/10/750817710.db2.gz ASCGMOXWUGWXEU-LBPRGKRZSA-N 1 1 340.387 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)C2=CCOCC2)C1 ZINC001005952608 750843079 /nfs/dbraw/zinc/84/30/79/750843079.db2.gz QUMVWCOMVLJXGA-YOEHRIQHSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)C2=CCOCC2)C1 ZINC001005952608 750843086 /nfs/dbraw/zinc/84/30/86/750843086.db2.gz QUMVWCOMVLJXGA-YOEHRIQHSA-N 1 1 345.443 0.394 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001028108968 750893679 /nfs/dbraw/zinc/89/36/79/750893679.db2.gz BKKUXCWDENQRPC-GJZGRUSLSA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1F ZINC001028109544 750913819 /nfs/dbraw/zinc/91/38/19/750913819.db2.gz KGBASXGADCPXNP-ZFWWWQNUSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1F ZINC001028109544 750913822 /nfs/dbraw/zinc/91/38/22/750913822.db2.gz KGBASXGADCPXNP-ZFWWWQNUSA-N 1 1 345.378 0.459 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2c[nH]cc2C)C1 ZINC001006107205 751021500 /nfs/dbraw/zinc/02/15/00/751021500.db2.gz PSPAJMCXZCGMDQ-PBHICJAKSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2c[nH]cc2C)C1 ZINC001006107205 751021509 /nfs/dbraw/zinc/02/15/09/751021509.db2.gz PSPAJMCXZCGMDQ-PBHICJAKSA-N 1 1 342.443 0.997 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)CC(C)(C)O)C3)C2)C1=O ZINC000981738774 751029630 /nfs/dbraw/zinc/02/96/30/751029630.db2.gz GIROSLDOZGQRKR-HNNXBMFYSA-N 1 1 349.475 0.859 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC001006128652 751050858 /nfs/dbraw/zinc/05/08/58/751050858.db2.gz RXFGMXMNAMIZAG-HIFRSBDPSA-N 1 1 340.427 0.591 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000987647761 751052782 /nfs/dbraw/zinc/05/27/82/751052782.db2.gz URXBGLLTKZCEIX-ZENOOKHLSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC000981801886 751117538 /nfs/dbraw/zinc/11/75/38/751117538.db2.gz ZWUDYZNBVIBLSS-INIZCTEOSA-N 1 1 347.459 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000987785485 751181569 /nfs/dbraw/zinc/18/15/69/751181569.db2.gz XOIIWSPHEOPFCY-ZBFHGGJFSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000987785485 751181571 /nfs/dbraw/zinc/18/15/71/751181571.db2.gz XOIIWSPHEOPFCY-ZBFHGGJFSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000987785485 751181572 /nfs/dbraw/zinc/18/15/72/751181572.db2.gz XOIIWSPHEOPFCY-ZBFHGGJFSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000987785485 751181573 /nfs/dbraw/zinc/18/15/73/751181573.db2.gz XOIIWSPHEOPFCY-ZBFHGGJFSA-N 1 1 343.431 0.428 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028139910 751190784 /nfs/dbraw/zinc/19/07/84/751190784.db2.gz GCBXEPTVBNMRDL-OAGGEKHMSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028139910 751190786 /nfs/dbraw/zinc/19/07/86/751190786.db2.gz GCBXEPTVBNMRDL-OAGGEKHMSA-N 1 1 326.400 0.760 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C2)C1 ZINC000981864161 751214176 /nfs/dbraw/zinc/21/41/76/751214176.db2.gz LIMZAGVOEXGBPP-UHFFFAOYSA-N 1 1 325.372 0.835 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001077456875 762107083 /nfs/dbraw/zinc/10/70/83/762107083.db2.gz BANILUWFCJRBLZ-NWANDNLSSA-N 1 1 334.420 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]nc2C)C1 ZINC001006316134 751237113 /nfs/dbraw/zinc/23/71/13/751237113.db2.gz SCZIGAPJXOIQAC-WBMJQRKESA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]nc2C)C1 ZINC001006316134 751237116 /nfs/dbraw/zinc/23/71/16/751237116.db2.gz SCZIGAPJXOIQAC-WBMJQRKESA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2ncc[nH]2)C1 ZINC001006318848 751241319 /nfs/dbraw/zinc/24/13/19/751241319.db2.gz JNSGYBVWKNCOMG-ZFWWWQNUSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2ncc[nH]2)C1 ZINC001006318848 751241324 /nfs/dbraw/zinc/24/13/24/751241324.db2.gz JNSGYBVWKNCOMG-ZFWWWQNUSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3COCCN3CC(F)F)C2)C1 ZINC000981914866 751273888 /nfs/dbraw/zinc/27/38/88/751273888.db2.gz SEDLKKBBOKBHEF-CQSZACIVSA-N 1 1 341.402 0.510 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001006366234 751294320 /nfs/dbraw/zinc/29/43/20/751294320.db2.gz BUKZOHSQBXBNGK-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)C(=O)[C@H]1CCC[N@H+]1C ZINC000987871341 751301263 /nfs/dbraw/zinc/30/12/63/751301263.db2.gz GENNOMJMTVMHTJ-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001006373346 751304470 /nfs/dbraw/zinc/30/44/70/751304470.db2.gz SJGBZVUQZPMXMZ-WBMJQRKESA-N 1 1 343.431 0.947 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)s1 ZINC001007341272 752308580 /nfs/dbraw/zinc/30/85/80/752308580.db2.gz XRNHXICMYGCKAO-NSHDSACASA-N 1 1 331.405 0.387 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)s1 ZINC001007341272 752308588 /nfs/dbraw/zinc/30/85/88/752308588.db2.gz XRNHXICMYGCKAO-NSHDSACASA-N 1 1 331.405 0.387 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020906999 752319213 /nfs/dbraw/zinc/31/92/13/752319213.db2.gz PBWHXZGDNVQXKR-HAQNSBGRSA-N 1 1 343.391 0.221 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001087452529 752358385 /nfs/dbraw/zinc/35/83/85/752358385.db2.gz XXDRGFLPSIMZBI-HZPDHXFCSA-N 1 1 342.378 0.420 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001087452529 752358396 /nfs/dbraw/zinc/35/83/96/752358396.db2.gz XXDRGFLPSIMZBI-HZPDHXFCSA-N 1 1 342.378 0.420 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3CCC)C2)nc1 ZINC001020947777 752374095 /nfs/dbraw/zinc/37/40/95/752374095.db2.gz FILADLIFISQOAV-HDJSIYSDSA-N 1 1 339.403 0.510 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001028334240 752414353 /nfs/dbraw/zinc/41/43/53/752414353.db2.gz YPUWKPANSVGEFL-GOSISDBHSA-N 1 1 343.475 0.846 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001007519403 752476024 /nfs/dbraw/zinc/47/60/24/752476024.db2.gz QIOAJIQVNGJQEH-ROUUACIJSA-N 1 1 343.475 0.907 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC001007519403 752476026 /nfs/dbraw/zinc/47/60/26/752476026.db2.gz QIOAJIQVNGJQEH-ROUUACIJSA-N 1 1 343.475 0.907 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000988654228 752486181 /nfs/dbraw/zinc/48/61/81/752486181.db2.gz LORCMCLMCMSYQS-WCQYABFASA-N 1 1 342.407 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001028391775 752529434 /nfs/dbraw/zinc/52/94/34/752529434.db2.gz LVDWNWODZHYSJI-GOEBONIOSA-N 1 1 344.415 0.159 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3snnc3C)C2)C1=O ZINC001028399990 752556587 /nfs/dbraw/zinc/55/65/87/752556587.db2.gz HOJQVGYXZIQWMT-QWHCGFSZSA-N 1 1 349.460 0.685 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cnn(C)c3C)C2)C1=O ZINC001028408852 752568465 /nfs/dbraw/zinc/56/84/65/752568465.db2.gz LRPMGKPCSHUYBC-GOEBONIOSA-N 1 1 345.447 0.567 20 30 ECEDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000982504419 752605213 /nfs/dbraw/zinc/60/52/13/752605213.db2.gz VILXPGLHRFRNTN-HDICACEKSA-N 1 1 326.400 0.714 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098644756 752612808 /nfs/dbraw/zinc/61/28/08/752612808.db2.gz DUEUIECZDUSBDY-JKSUJKDBSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644756 752612812 /nfs/dbraw/zinc/61/28/12/752612812.db2.gz DUEUIECZDUSBDY-JKSUJKDBSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001030019200 752630646 /nfs/dbraw/zinc/63/06/46/752630646.db2.gz LASVZKROHZLCMV-JYJNAYRXSA-N 1 1 344.463 0.554 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccccn2)[C@@H]1C ZINC000988738597 752642055 /nfs/dbraw/zinc/64/20/55/752642055.db2.gz QKKGABOGJHFRKN-VYDXJSESSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccccn2)[C@@H]1C ZINC000988738597 752642060 /nfs/dbraw/zinc/64/20/60/752642060.db2.gz QKKGABOGJHFRKN-VYDXJSESSA-N 1 1 340.427 0.898 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)c1 ZINC001021222144 752671244 /nfs/dbraw/zinc/67/12/44/752671244.db2.gz WCSAITQPDPMTNX-VYHDIPPYSA-N 1 1 327.388 0.500 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cc1F ZINC001028446591 752674133 /nfs/dbraw/zinc/67/41/33/752674133.db2.gz AKKSQSSKSKXOPQ-XJKSGUPXSA-N 1 1 344.390 0.914 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000938033609 752696812 /nfs/dbraw/zinc/69/68/12/752696812.db2.gz JOVIPPACGMTZDQ-JJXSEGSLSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001028468307 752764410 /nfs/dbraw/zinc/76/44/10/752764410.db2.gz SBHXOLGPJJGNPF-XJKSGUPXSA-N 1 1 341.415 0.725 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028469528 752765977 /nfs/dbraw/zinc/76/59/77/752765977.db2.gz RVQCPRYTDQRPIX-NWDGAFQWSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001007685247 752786358 /nfs/dbraw/zinc/78/63/58/752786358.db2.gz OLZSZZZOMBDEJH-BEFAXECRSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cn(C)cn3)C2)C1=O ZINC001028481437 752810541 /nfs/dbraw/zinc/81/05/41/752810541.db2.gz XVBIPNNDNPCNMD-ZFWWWQNUSA-N 1 1 331.420 0.259 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(=O)CC)C2)nn1 ZINC001098645823 752819957 /nfs/dbraw/zinc/81/99/57/752819957.db2.gz WNJOKQNDCMDTQZ-CQSZACIVSA-N 1 1 334.424 0.243 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)[nH]1 ZINC001028486203 752821833 /nfs/dbraw/zinc/82/18/33/752821833.db2.gz CIZNIJBBQFQSLB-LBPRGKRZSA-N 1 1 343.387 0.087 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028488894 752824611 /nfs/dbraw/zinc/82/46/11/752824611.db2.gz JUENGFNYTMTQFI-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)c[nH]1 ZINC001028492113 752837163 /nfs/dbraw/zinc/83/71/63/752837163.db2.gz ZTUDJQNLYVDFSP-BBRMVZONSA-N 1 1 342.403 0.196 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC001007717445 752854861 /nfs/dbraw/zinc/85/48/61/752854861.db2.gz KMGHEEIWIDUMEI-DYVFJYSZSA-N 1 1 345.403 0.181 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@]2(C)C1 ZINC000982554508 752884608 /nfs/dbraw/zinc/88/46/08/752884608.db2.gz YCFSRXHWIGJRIJ-IHETXDGRSA-N 1 1 333.432 0.213 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001028497065 752893432 /nfs/dbraw/zinc/89/34/32/752893432.db2.gz POVVDKUUIUZWQS-SNVBAGLBSA-N 1 1 342.241 0.963 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001028497065 752893438 /nfs/dbraw/zinc/89/34/38/752893438.db2.gz POVVDKUUIUZWQS-SNVBAGLBSA-N 1 1 342.241 0.963 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000988812177 752914482 /nfs/dbraw/zinc/91/44/82/752914482.db2.gz YMRHKTXYHCHFOQ-WZRBSPASSA-N 1 1 333.392 0.615 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1c(Br)cnn1C ZINC001126379016 753085299 /nfs/dbraw/zinc/08/52/99/753085299.db2.gz VSTHLFIFGMFYEB-ZDUSSCGKSA-N 1 1 345.241 0.716 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028536802 753096505 /nfs/dbraw/zinc/09/65/05/753096505.db2.gz YOVPNSPZXYNYHH-KGLIPLIRSA-N 1 1 329.404 0.224 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000988990120 753124204 /nfs/dbraw/zinc/12/42/04/753124204.db2.gz YSODMAIIRWGHIW-DOMZBBRYSA-N 1 1 340.387 0.811 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C ZINC001007965397 753143847 /nfs/dbraw/zinc/14/38/47/753143847.db2.gz HUKZEORYEREWFP-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000989066223 753204469 /nfs/dbraw/zinc/20/44/69/753204469.db2.gz NPCATPQMLHMZGV-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000989066223 753204474 /nfs/dbraw/zinc/20/44/74/753204474.db2.gz NPCATPQMLHMZGV-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@]2(C)C1 ZINC000982646043 753204523 /nfs/dbraw/zinc/20/45/23/753204523.db2.gz MSNDQKUVJAAHDN-HDICACEKSA-N 1 1 333.432 0.786 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2noc3c2COCC3)C1 ZINC001051494835 762206283 /nfs/dbraw/zinc/20/62/83/762206283.db2.gz NRAZERMQSYURDZ-RYUDHWBXSA-N 1 1 334.376 0.224 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C)cn1 ZINC000989163764 753412772 /nfs/dbraw/zinc/41/27/72/753412772.db2.gz FRLKXRFKECHEJN-KMFMINBZSA-N 1 1 340.427 0.734 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001008175757 753422595 /nfs/dbraw/zinc/42/25/95/753422595.db2.gz JHHPEUMISFCZBO-HOTGVXAUSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001008175757 753422598 /nfs/dbraw/zinc/42/25/98/753422598.db2.gz JHHPEUMISFCZBO-HOTGVXAUSA-N 1 1 341.415 0.662 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC000982739454 753449534 /nfs/dbraw/zinc/44/95/34/753449534.db2.gz MMIYUUJEVDXLMA-VNQPRFMTSA-N 1 1 333.432 0.084 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC000982739454 753449540 /nfs/dbraw/zinc/44/95/40/753449540.db2.gz MMIYUUJEVDXLMA-VNQPRFMTSA-N 1 1 333.432 0.084 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC001008214977 753472589 /nfs/dbraw/zinc/47/25/89/753472589.db2.gz QJSOHUGYNYHXHH-CQSZACIVSA-N 1 1 325.376 0.476 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC001008214977 753472593 /nfs/dbraw/zinc/47/25/93/753472593.db2.gz QJSOHUGYNYHXHH-CQSZACIVSA-N 1 1 325.376 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC000989246961 753527500 /nfs/dbraw/zinc/52/75/00/753527500.db2.gz DZCBMBWHWRMHBD-TXPKVOOTSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC000989246961 753527502 /nfs/dbraw/zinc/52/75/02/753527502.db2.gz DZCBMBWHWRMHBD-TXPKVOOTSA-N 1 1 347.459 0.618 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000982780698 753549205 /nfs/dbraw/zinc/54/92/05/753549205.db2.gz GTMZWLORXFBCLR-OLZOCXBDSA-N 1 1 329.404 0.416 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@]2(C)C1 ZINC000982785276 753555953 /nfs/dbraw/zinc/55/59/53/753555953.db2.gz VTSGZLUOHFBUIC-HDICACEKSA-N 1 1 346.431 0.074 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)nn1 ZINC001098681043 753609206 /nfs/dbraw/zinc/60/92/06/753609206.db2.gz NLEVXRFEWSLOCS-DZGCQCFKSA-N 1 1 346.435 0.196 20 30 ECEDMO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)cnn1C ZINC001083342551 753612993 /nfs/dbraw/zinc/61/29/93/753612993.db2.gz DSDIPKJJMCJHHX-SJORKVTESA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)cnn1C ZINC001083342551 753612996 /nfs/dbraw/zinc/61/29/96/753612996.db2.gz DSDIPKJJMCJHHX-SJORKVTESA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)nn1C ZINC001083359532 753676073 /nfs/dbraw/zinc/67/60/73/753676073.db2.gz LLRKAFKMKVUKLC-SJORKVTESA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)nn1C ZINC001083359532 753676079 /nfs/dbraw/zinc/67/60/79/753676079.db2.gz LLRKAFKMKVUKLC-SJORKVTESA-N 1 1 339.399 0.575 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001028601854 753888752 /nfs/dbraw/zinc/88/87/52/753888752.db2.gz WFXGSQJGVFCTDE-RDJZCZTQSA-N 1 1 329.448 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCOC2)C(C)(C)C1 ZINC001008542334 753891371 /nfs/dbraw/zinc/89/13/71/753891371.db2.gz FHRJFGGOUWNEPU-OWCLPIDISA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCOC2)C(C)(C)C1 ZINC001008542334 753891380 /nfs/dbraw/zinc/89/13/80/753891380.db2.gz FHRJFGGOUWNEPU-OWCLPIDISA-N 1 1 347.459 0.474 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)nc1 ZINC001075941311 753893063 /nfs/dbraw/zinc/89/30/63/753893063.db2.gz RALQEVKNNIFQQW-BBRMVZONSA-N 1 1 328.416 0.782 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3ccn[nH]3)CCO2)s1 ZINC001051511062 762250281 /nfs/dbraw/zinc/25/02/81/762250281.db2.gz VWIBOWCPXFVACQ-CYBMUJFWSA-N 1 1 345.428 0.903 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001028628175 753981007 /nfs/dbraw/zinc/98/10/07/753981007.db2.gz OUXDHSSJVHRXKK-ZDUSSCGKSA-N 1 1 326.462 0.825 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)N3CCCCC3=O)C2)nn1 ZINC001105376714 754047342 /nfs/dbraw/zinc/04/73/42/754047342.db2.gz DHRGQINKCCKBRP-CYBMUJFWSA-N 1 1 346.435 0.338 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)CC[N@H+]1C ZINC000925321079 754048305 /nfs/dbraw/zinc/04/83/05/754048305.db2.gz OKVFUXUPFZNERP-UKRRQHHQSA-N 1 1 328.420 0.877 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001008734798 754054897 /nfs/dbraw/zinc/05/48/97/754054897.db2.gz FNOXGJDGWCJSHE-CYBMUJFWSA-N 1 1 334.420 0.244 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000989510942 754061235 /nfs/dbraw/zinc/06/12/35/754061235.db2.gz JTXNKEKZPYDEAF-UHFFFAOYSA-N 1 1 325.368 0.741 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000989510942 754061240 /nfs/dbraw/zinc/06/12/40/754061240.db2.gz JTXNKEKZPYDEAF-UHFFFAOYSA-N 1 1 325.368 0.741 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001008755674 754079674 /nfs/dbraw/zinc/07/96/74/754079674.db2.gz TVTURNLOPOJXKQ-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001008755674 754079677 /nfs/dbraw/zinc/07/96/77/754079677.db2.gz TVTURNLOPOJXKQ-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)[nH]3)C[C@@H]2C)nn1 ZINC000989536899 754081220 /nfs/dbraw/zinc/08/12/20/754081220.db2.gz PMNMDIJQWIKGIA-JQWIXIFHSA-N 1 1 330.396 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CSCC#N ZINC001075679017 754084560 /nfs/dbraw/zinc/08/45/60/754084560.db2.gz CFKFPHWIPHJWKE-KBPBESRZSA-N 1 1 336.461 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CSCC#N ZINC001075679017 754084565 /nfs/dbraw/zinc/08/45/65/754084565.db2.gz CFKFPHWIPHJWKE-KBPBESRZSA-N 1 1 336.461 0.352 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1)C1CCC1 ZINC000982896992 754110892 /nfs/dbraw/zinc/11/08/92/754110892.db2.gz JXELAWSHWDJDRV-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001008825951 754164865 /nfs/dbraw/zinc/16/48/65/754164865.db2.gz RPDSRJUULULCOQ-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001008825951 754164869 /nfs/dbraw/zinc/16/48/69/754164869.db2.gz RPDSRJUULULCOQ-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO CCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC001051524111 762275138 /nfs/dbraw/zinc/27/51/38/762275138.db2.gz QJMACYXDIKVTIA-ZDUSSCGKSA-N 1 1 343.391 0.129 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2oncc2C)C1 ZINC000982924112 754208593 /nfs/dbraw/zinc/20/85/93/754208593.db2.gz UVZMKRWVVCELQT-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2oncc2C)C1 ZINC000982924112 754208600 /nfs/dbraw/zinc/20/86/00/754208600.db2.gz UVZMKRWVVCELQT-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000982992152 754372834 /nfs/dbraw/zinc/37/28/34/754372834.db2.gz BSUZBTWLFRDJLI-CYBMUJFWSA-N 1 1 340.387 0.670 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000982998535 754391189 /nfs/dbraw/zinc/39/11/89/754391189.db2.gz NRAVCDJVSROVBY-CJNGLKHVSA-N 1 1 346.406 0.830 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000982998535 754391198 /nfs/dbraw/zinc/39/11/98/754391198.db2.gz NRAVCDJVSROVBY-CJNGLKHVSA-N 1 1 346.406 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C2CC2)[C@H](OCC)C1 ZINC000983026301 754462608 /nfs/dbraw/zinc/46/26/08/754462608.db2.gz VGJLOLIFOYDYFH-IXDOHACOSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C2CC2)[C@H](OCC)C1 ZINC000983026301 754462611 /nfs/dbraw/zinc/46/26/11/754462611.db2.gz VGJLOLIFOYDYFH-IXDOHACOSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)nn1 ZINC001105377153 754473336 /nfs/dbraw/zinc/47/33/36/754473336.db2.gz RSGHANKBOLRSIW-KRWDZBQOSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105377153 754473340 /nfs/dbraw/zinc/47/33/40/754473340.db2.gz RSGHANKBOLRSIW-KRWDZBQOSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](NCc3cnns3)C[C@@H]2C)CC1 ZINC000989828707 754497298 /nfs/dbraw/zinc/49/72/98/754497298.db2.gz HVAHUOUHFCOYBD-DZGCQCFKSA-N 1 1 347.488 0.962 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](NCc3cnnn3C)C[C@@H]2C)CC1 ZINC000989828469 754497812 /nfs/dbraw/zinc/49/78/12/754497812.db2.gz DHSIEEQEPXXURU-HOCLYGCPSA-N 1 1 344.463 0.239 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCn3cc(C)cn3)C2)nn1 ZINC001105377206 754505442 /nfs/dbraw/zinc/50/54/42/754505442.db2.gz UQSWSUFCFRZAHO-UHFFFAOYSA-N 1 1 329.408 0.532 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cnc3sccn3c2=O)C1 ZINC001028670698 754527349 /nfs/dbraw/zinc/52/73/49/754527349.db2.gz TZETYKVPFAWYQA-GFCCVEGCSA-N 1 1 330.413 0.831 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001009095639 754535318 /nfs/dbraw/zinc/53/53/18/754535318.db2.gz KFSCNPGJPRRRII-ZDUSSCGKSA-N 1 1 336.436 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001028671192 754538725 /nfs/dbraw/zinc/53/87/25/754538725.db2.gz GBZRJZRRUGSBAS-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)C1 ZINC000990001772 754636461 /nfs/dbraw/zinc/63/64/61/754636461.db2.gz NGAXIYVBHYEWQV-NFAWXSAZSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccn[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105611576 754743084 /nfs/dbraw/zinc/74/30/84/754743084.db2.gz SYMCTPABGZXGER-ZAWLATJESA-N 1 1 344.459 0.942 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001105874000 762332468 /nfs/dbraw/zinc/33/24/68/762332468.db2.gz YWFRIZOTPNTQLQ-GDBMZVCRSA-N 1 1 331.420 0.139 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2nccs2)C1 ZINC000983174035 754776930 /nfs/dbraw/zinc/77/69/30/754776930.db2.gz IUFBLQVGMZBAKP-KBPBESRZSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2nccs2)C1 ZINC000983174035 754776935 /nfs/dbraw/zinc/77/69/35/754776935.db2.gz IUFBLQVGMZBAKP-KBPBESRZSA-N 1 1 346.456 0.819 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H]2CCCNC2=O)CC3)c1 ZINC000990159430 754784662 /nfs/dbraw/zinc/78/46/62/754784662.db2.gz DLQOPGYJNFOSAP-DAYGRLMNSA-N 1 1 341.415 0.892 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001028711445 754792881 /nfs/dbraw/zinc/79/28/81/754792881.db2.gz BAGFPKQCERNNJA-ZIAGYGMSSA-N 1 1 331.407 0.967 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001028715084 754810272 /nfs/dbraw/zinc/81/02/72/754810272.db2.gz ZOZVMDHWBVMWIS-ZDUSSCGKSA-N 1 1 329.404 0.959 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)[nH]1 ZINC000990248901 754875713 /nfs/dbraw/zinc/87/57/13/754875713.db2.gz AQUQMTGXMKRSLO-NVXWUHKLSA-N 1 1 339.403 0.905 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990252141 754879245 /nfs/dbraw/zinc/87/92/45/754879245.db2.gz PUDKMCQNGZPTEK-CPUCHLNUSA-N 1 1 329.404 0.877 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCCN(CCOC)c1cc(CC)[nH+]c(C)n1 ZINC001126416077 754906433 /nfs/dbraw/zinc/90/64/33/754906433.db2.gz YVCMYJWDDGWGEI-CQSZACIVSA-N 1 1 348.447 0.955 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)c[nH]1 ZINC000990266729 754910076 /nfs/dbraw/zinc/91/00/76/754910076.db2.gz OKFAZYTZHSGJFB-QAPCUYQASA-N 1 1 341.415 0.845 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001028740687 754944904 /nfs/dbraw/zinc/94/49/04/754944904.db2.gz RVIOAYRMUOATHA-FZMZJTMJSA-N 1 1 347.444 0.581 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001028740866 754945758 /nfs/dbraw/zinc/94/57/58/754945758.db2.gz TWUWXJFOESAVHF-HZPDHXFCSA-N 1 1 341.415 0.520 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001028744044 754951172 /nfs/dbraw/zinc/95/11/72/754951172.db2.gz HCUAIKYMBLAYAR-LBPRGKRZSA-N 1 1 343.366 0.473 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000983261305 755011326 /nfs/dbraw/zinc/01/13/26/755011326.db2.gz NWGVKWCXVPTLLU-LSDHHAIUSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000983261305 755011329 /nfs/dbraw/zinc/01/13/29/755011329.db2.gz NWGVKWCXVPTLLU-LSDHHAIUSA-N 1 1 335.448 0.638 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nc3)C2)O1 ZINC001059108899 755030621 /nfs/dbraw/zinc/03/06/21/755030621.db2.gz NIVSEUPKLIPLLL-UHOFOFEASA-N 1 1 329.404 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nc3)C2)O1 ZINC001059108899 755030624 /nfs/dbraw/zinc/03/06/24/755030624.db2.gz NIVSEUPKLIPLLL-UHOFOFEASA-N 1 1 329.404 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)O1 ZINC001059109008 755034742 /nfs/dbraw/zinc/03/47/42/755034742.db2.gz UYUGKIWQYDLZPS-MBNYWOFBSA-N 1 1 330.392 0.080 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)O1 ZINC001059109008 755034747 /nfs/dbraw/zinc/03/47/47/755034747.db2.gz UYUGKIWQYDLZPS-MBNYWOFBSA-N 1 1 330.392 0.080 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)cc1F ZINC001028773439 755061120 /nfs/dbraw/zinc/06/11/20/755061120.db2.gz MAUBRBKJFDRHEC-SWLSCSKDSA-N 1 1 345.378 0.317 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028774038 755065856 /nfs/dbraw/zinc/06/58/56/755065856.db2.gz RGNNBNAMQNUIPH-ABAIWWIYSA-N 1 1 345.378 0.317 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028774038 755065861 /nfs/dbraw/zinc/06/58/61/755065861.db2.gz RGNNBNAMQNUIPH-ABAIWWIYSA-N 1 1 345.378 0.317 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001028779296 755089144 /nfs/dbraw/zinc/08/91/44/755089144.db2.gz YKSYNTXHHMIVSR-CQSZACIVSA-N 1 1 348.447 0.723 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000983300879 755098985 /nfs/dbraw/zinc/09/89/85/755098985.db2.gz FSOQFYJBYHHNBK-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000983307838 755125328 /nfs/dbraw/zinc/12/53/28/755125328.db2.gz YBTBZUXMYKYYJV-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001028792953 755141859 /nfs/dbraw/zinc/14/18/59/755141859.db2.gz PKYROXCTROQLEN-OAHLLOKOSA-N 1 1 326.400 0.347 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)cc1 ZINC001028849364 755302123 /nfs/dbraw/zinc/30/21/23/755302123.db2.gz BAMDJCWPFCEEPY-CABCVRRESA-N 1 1 343.427 0.885 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001028850529 755306683 /nfs/dbraw/zinc/30/66/83/755306683.db2.gz ZXPAMRALEIDMBV-YOEHRIQHSA-N 1 1 341.411 0.639 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](CCc3ccnn3C)C2)nn1 ZINC001028850982 755307507 /nfs/dbraw/zinc/30/75/07/755307507.db2.gz DAHPRCRFHWMZAO-CQSZACIVSA-N 1 1 343.435 0.492 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001060040606 755321189 /nfs/dbraw/zinc/32/11/89/755321189.db2.gz ATNZYIKQVDNQEN-LSDHHAIUSA-N 1 1 342.447 0.762 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001028857442 755322621 /nfs/dbraw/zinc/32/26/21/755322621.db2.gz IDZNEBBQQDIIJC-UKRRQHHQSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001028919217 755476321 /nfs/dbraw/zinc/47/63/21/755476321.db2.gz STCWNDZRZYLGFM-CQSZACIVSA-N 1 1 327.388 0.994 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2sc(CNC(C)=O)nc2C1 ZINC000990617614 755501548 /nfs/dbraw/zinc/50/15/48/755501548.db2.gz KNVIEOUGSDFYJV-AWEZNQCLSA-N 1 1 346.456 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2sc(CNC(C)=O)nc2C1 ZINC000990617614 755501551 /nfs/dbraw/zinc/50/15/51/755501551.db2.gz KNVIEOUGSDFYJV-AWEZNQCLSA-N 1 1 346.456 0.762 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)nn1 ZINC001098654647 755569012 /nfs/dbraw/zinc/56/90/12/755569012.db2.gz AJSRONQQFHLJKC-HIFRSBDPSA-N 1 1 347.419 0.670 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ncn3cc(Cl)ccc23)[C@@H](O)C1 ZINC001083473025 755590605 /nfs/dbraw/zinc/59/06/05/755590605.db2.gz DLSBOPDYIRVLFV-OCCSQVGLSA-N 1 1 332.791 0.786 20 30 ECEDMO C#CCN1CCC2(CC1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001098655267 755618442 /nfs/dbraw/zinc/61/84/42/755618442.db2.gz JRRWQNRKJFXJTH-INIZCTEOSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1C ZINC001088769451 755621192 /nfs/dbraw/zinc/62/11/92/755621192.db2.gz KTYSVZHCOUDXHF-OLZOCXBDSA-N 1 1 327.388 0.547 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)[C@H]1C ZINC001088771601 755626211 /nfs/dbraw/zinc/62/62/11/755626211.db2.gz PHFLLJYKICZGTQ-HZSPNIEDSA-N 1 1 329.391 0.555 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)[C@@H](O)C1 ZINC001083483615 755642724 /nfs/dbraw/zinc/64/27/24/755642724.db2.gz BEIZMYGONABYAN-OAGGEKHMSA-N 1 1 335.448 0.372 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990703001 755653383 /nfs/dbraw/zinc/65/33/83/755653383.db2.gz GUPNMOCZANKQKO-UHFFFAOYSA-N 1 1 340.387 0.847 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(C)cn3)C2)nn1 ZINC001098656096 755663302 /nfs/dbraw/zinc/66/33/02/755663302.db2.gz LPWPQDFPNOLJRK-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO C=CCCOCC(=O)NCC1CC([NH2+]Cc2nc(COC)no2)C1 ZINC001101052995 755685339 /nfs/dbraw/zinc/68/53/39/755685339.db2.gz CEXPSPMIJFBOAP-UHFFFAOYSA-N 1 1 338.408 0.793 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088793660 755708800 /nfs/dbraw/zinc/70/88/00/755708800.db2.gz NUYMMVSZLYHMSM-WPGHFRTFSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088793660 755708804 /nfs/dbraw/zinc/70/88/04/755708804.db2.gz NUYMMVSZLYHMSM-WPGHFRTFSA-N 1 1 344.390 0.912 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)[C@@H](O)C1 ZINC001083503952 755761945 /nfs/dbraw/zinc/76/19/45/755761945.db2.gz IZTHGRXMYIVKSC-XHSDSOJGSA-N 1 1 337.464 0.618 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2NC(C)=O)[C@@H](O)C1 ZINC001083507260 755771110 /nfs/dbraw/zinc/77/11/10/755771110.db2.gz ZHGMVPMFQKWIMU-CVEARBPZSA-N 1 1 333.363 0.582 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(=O)NC)CC2 ZINC000990736820 755804143 /nfs/dbraw/zinc/80/41/43/755804143.db2.gz FMOAWRDERMBLRF-LDDOYCOJSA-N 1 1 335.448 0.827 20 30 ECEDMO COCC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001098659798 755858644 /nfs/dbraw/zinc/85/86/44/755858644.db2.gz UIIBCLGNIQHJGT-AWEZNQCLSA-N 1 1 343.391 0.301 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3COCCO3)C2)cc1 ZINC001010249819 755881120 /nfs/dbraw/zinc/88/11/20/755881120.db2.gz CVPXTGXXKSRRSZ-DOTOQJQBSA-N 1 1 345.399 0.695 20 30 ECEDMO C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001051598319 762431957 /nfs/dbraw/zinc/43/19/57/762431957.db2.gz MQNAUQCWFHHEDH-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083535006 755973576 /nfs/dbraw/zinc/97/35/76/755973576.db2.gz WQCIHQVCKWARII-YYIAUSFCSA-N 1 1 332.400 0.490 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083535006 755973581 /nfs/dbraw/zinc/97/35/81/755973581.db2.gz WQCIHQVCKWARII-YYIAUSFCSA-N 1 1 332.400 0.490 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@@H](O)C1 ZINC001083539751 756030990 /nfs/dbraw/zinc/03/09/90/756030990.db2.gz PXIDPTOKXRWKDV-TXCZRRACSA-N 1 1 346.431 0.165 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@@H](O)C1 ZINC001083539751 756030994 /nfs/dbraw/zinc/03/09/94/756030994.db2.gz PXIDPTOKXRWKDV-TXCZRRACSA-N 1 1 346.431 0.165 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@@H](O)C1 ZINC001083539878 756031975 /nfs/dbraw/zinc/03/19/75/756031975.db2.gz YGOLSQBHKTYWDK-TXCZRRACSA-N 1 1 348.447 0.718 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1F ZINC001010378830 756060939 /nfs/dbraw/zinc/06/09/39/756060939.db2.gz AUDRMEQXXBAOJX-DZGCQCFKSA-N 1 1 330.363 0.666 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1F ZINC001010378830 756060943 /nfs/dbraw/zinc/06/09/43/756060943.db2.gz AUDRMEQXXBAOJX-DZGCQCFKSA-N 1 1 330.363 0.666 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccncc3F)C2)C1=O ZINC001010416207 756103659 /nfs/dbraw/zinc/10/36/59/756103659.db2.gz PIDKMVOORQJRHI-WFASDCNBSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccncc3F)C2)C1=O ZINC001010416207 756103662 /nfs/dbraw/zinc/10/36/62/756103662.db2.gz PIDKMVOORQJRHI-WFASDCNBSA-N 1 1 332.379 0.812 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010429839 756128997 /nfs/dbraw/zinc/12/89/97/756128997.db2.gz WQZFVLFHYVWNPB-NWDGAFQWSA-N 1 1 332.242 0.416 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010429839 756129001 /nfs/dbraw/zinc/12/90/01/756129001.db2.gz WQZFVLFHYVWNPB-NWDGAFQWSA-N 1 1 332.242 0.416 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001010540684 756221382 /nfs/dbraw/zinc/22/13/82/756221382.db2.gz BBMZAXDOVMYAIV-KGLIPLIRSA-N 1 1 330.388 0.378 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001010540684 756221390 /nfs/dbraw/zinc/22/13/90/756221390.db2.gz BBMZAXDOVMYAIV-KGLIPLIRSA-N 1 1 330.388 0.378 20 30 ECEDMO O=C(C#CC1CC1)N1CCO[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001051609282 762458386 /nfs/dbraw/zinc/45/83/86/762458386.db2.gz QNYCRKKODNLUQB-CQSZACIVSA-N 1 1 329.404 0.413 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001010623274 756317094 /nfs/dbraw/zinc/31/70/94/756317094.db2.gz BRKWZKUJWRMKIP-UKRRQHHQSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001010623274 756317097 /nfs/dbraw/zinc/31/70/97/756317097.db2.gz BRKWZKUJWRMKIP-UKRRQHHQSA-N 1 1 329.404 0.376 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)[nH]1 ZINC001010641308 756339884 /nfs/dbraw/zinc/33/98/84/756339884.db2.gz AZSJQFSRIAFTJD-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)[nH]1 ZINC001010641308 756339889 /nfs/dbraw/zinc/33/98/89/756339889.db2.gz AZSJQFSRIAFTJD-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001076298017 756342166 /nfs/dbraw/zinc/34/21/66/756342166.db2.gz UYGKLOMYMWWLLZ-UYFTZEKXSA-N 1 1 347.459 0.664 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)[nH]1 ZINC001010659862 756362076 /nfs/dbraw/zinc/36/20/76/756362076.db2.gz XJHLENVISGOIPB-XJKSGUPXSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)[nH]1 ZINC001010659862 756362078 /nfs/dbraw/zinc/36/20/78/756362078.db2.gz XJHLENVISGOIPB-XJKSGUPXSA-N 1 1 341.415 0.844 20 30 ECEDMO CC1CCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001010670955 756376985 /nfs/dbraw/zinc/37/69/85/756376985.db2.gz RDWJTQOTYQYRHZ-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1CCN(C(=O)C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001010670955 756376987 /nfs/dbraw/zinc/37/69/87/756376987.db2.gz RDWJTQOTYQYRHZ-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010687746 756398024 /nfs/dbraw/zinc/39/80/24/756398024.db2.gz FOLSSHWHNMCTCV-ROUUACIJSA-N 1 1 327.428 0.559 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010687746 756398028 /nfs/dbraw/zinc/39/80/28/756398028.db2.gz FOLSSHWHNMCTCV-ROUUACIJSA-N 1 1 327.428 0.559 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001010690355 756402817 /nfs/dbraw/zinc/40/28/17/756402817.db2.gz JWRDUAUBQWCEJV-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)c[nH]1 ZINC001010700236 756415865 /nfs/dbraw/zinc/41/58/65/756415865.db2.gz WWEMACGYWJWHNF-GXTWGEPZSA-N 1 1 325.376 0.469 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC001010706877 756425869 /nfs/dbraw/zinc/42/58/69/756425869.db2.gz KJZMLWPNQXJNTF-ZDUSSCGKSA-N 1 1 329.404 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1CC(OCC)C1 ZINC001076367734 756426770 /nfs/dbraw/zinc/42/67/70/756426770.db2.gz VPMAFGPJTNHIHK-OTBWCIGPSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1CC(OCC)C1 ZINC001076367734 756426774 /nfs/dbraw/zinc/42/67/74/756426774.db2.gz VPMAFGPJTNHIHK-OTBWCIGPSA-N 1 1 349.475 0.910 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nccn3CC)C2)nn1 ZINC001098663270 756515520 /nfs/dbraw/zinc/51/55/20/756515520.db2.gz BBGPGWCRQYFYFC-AWEZNQCLSA-N 1 1 329.408 0.857 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncoc2CC)CC1 ZINC001010808206 756548973 /nfs/dbraw/zinc/54/89/73/756548973.db2.gz VFBUIFMNXLSVLC-AWEZNQCLSA-N 1 1 344.415 0.619 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncoc2CC)CC1 ZINC001010808206 756548976 /nfs/dbraw/zinc/54/89/76/756548976.db2.gz VFBUIFMNXLSVLC-AWEZNQCLSA-N 1 1 344.415 0.619 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cnnn3C)C2)cc1C#N ZINC001010823654 756571089 /nfs/dbraw/zinc/57/10/89/756571089.db2.gz QERSDTRNMGWHJN-AWEZNQCLSA-N 1 1 340.387 0.700 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cnnn3C)C2)cc1C#N ZINC001010823654 756571097 /nfs/dbraw/zinc/57/10/97/756571097.db2.gz QERSDTRNMGWHJN-AWEZNQCLSA-N 1 1 340.387 0.700 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001010829413 756577323 /nfs/dbraw/zinc/57/73/23/756577323.db2.gz FRGKFUXQEBWJNV-GJZGRUSLSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001076507437 756578299 /nfs/dbraw/zinc/57/82/99/756578299.db2.gz GXKLCABWSZPPRR-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@H+]1C ZINC001010924753 756673929 /nfs/dbraw/zinc/67/39/29/756673929.db2.gz AMNJXOMEIINRBS-TZMCWYRMSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076585760 756688574 /nfs/dbraw/zinc/68/85/74/756688574.db2.gz SPVGVEMTGJJPIE-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)cc3)[C@@H]2C1 ZINC001076621878 756734844 /nfs/dbraw/zinc/73/48/44/756734844.db2.gz LRCMLULNRQRRHG-DLBZAZTESA-N 1 1 325.412 0.884 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011012717 756765461 /nfs/dbraw/zinc/76/54/61/756765461.db2.gz FVKUXQSCTMVPFH-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990933339 756905718 /nfs/dbraw/zinc/90/57/18/756905718.db2.gz WWOYPWXVDSMQKV-TXEJJXNPSA-N 1 1 329.404 0.700 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ncn(-c3ccccc3)n2)[C@@H](O)C1 ZINC001083552951 756923064 /nfs/dbraw/zinc/92/30/64/756923064.db2.gz COALWACFUTTYPC-CABCVRRESA-N 1 1 325.372 0.066 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ncn(-c3ccccc3)n2)[C@@H](O)C1 ZINC001083552951 756923067 /nfs/dbraw/zinc/92/30/67/756923067.db2.gz COALWACFUTTYPC-CABCVRRESA-N 1 1 325.372 0.066 20 30 ECEDMO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cnn1C ZINC001076747539 756956980 /nfs/dbraw/zinc/95/69/80/756956980.db2.gz DSDIPKJJMCJHHX-IAGOWNOFSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cnn1C ZINC001076747539 756956982 /nfs/dbraw/zinc/95/69/82/756956982.db2.gz DSDIPKJJMCJHHX-IAGOWNOFSA-N 1 1 339.399 0.575 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@H]3C2)c[nH]1 ZINC001048779658 756967204 /nfs/dbraw/zinc/96/72/04/756967204.db2.gz ZQNBJACVRJWWJL-BETUJISGSA-N 1 1 327.388 0.169 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)cc1 ZINC001076759263 757024307 /nfs/dbraw/zinc/02/43/07/757024307.db2.gz OWZZKOLDCGFRGJ-BRWVUGGUSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)cc1 ZINC001076759263 757024315 /nfs/dbraw/zinc/02/43/15/757024315.db2.gz OWZZKOLDCGFRGJ-BRWVUGGUSA-N 1 1 329.400 0.789 20 30 ECEDMO C=CCOCC(=O)NCc1cn(C2C[NH+](CCC[C@@H](C)O)C2)nn1 ZINC001107146210 757037405 /nfs/dbraw/zinc/03/74/05/757037405.db2.gz AZAQTQWLFZMXGT-CYBMUJFWSA-N 1 1 337.424 0.115 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ncc[nH]4)C[C@H]3C2)C1=O ZINC001048807935 757062388 /nfs/dbraw/zinc/06/23/88/757062388.db2.gz BZECYHFCFYPHHC-HZSPNIEDSA-N 1 1 329.404 0.200 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001011160640 757072548 /nfs/dbraw/zinc/07/25/48/757072548.db2.gz UXCQINNEINUFNW-XHSDSOJGSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001011160931 757073606 /nfs/dbraw/zinc/07/36/06/757073606.db2.gz YIBOMEISPPSCKI-HNNXBMFYSA-N 1 1 330.432 0.910 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001048814190 757081432 /nfs/dbraw/zinc/08/14/32/757081432.db2.gz XPOYXSSETBKNCW-WCVJEAGWSA-N 1 1 335.448 0.016 20 30 ECEDMO Cn1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cn1 ZINC001076790511 757158991 /nfs/dbraw/zinc/15/89/91/757158991.db2.gz BXTURUGJMYCULV-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cn1 ZINC001076790511 757158995 /nfs/dbraw/zinc/15/89/95/757158995.db2.gz BXTURUGJMYCULV-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)C[C@H]2C1 ZINC001048848157 757170870 /nfs/dbraw/zinc/17/08/70/757170870.db2.gz NQVAYHYCKHFIDR-ZACQAIPSSA-N 1 1 331.460 0.904 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCc1cn(C2C[NH+](CC[C@H](C)F)C2)nn1 ZINC001107163910 757196744 /nfs/dbraw/zinc/19/67/44/757196744.db2.gz HFAIZSAMMWSCNU-LRDDRELGSA-N 1 1 339.415 0.826 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCc1cn(C2C[NH+](C[C@@H](C)OC)C2)nn1 ZINC001107163808 757196855 /nfs/dbraw/zinc/19/68/55/757196855.db2.gz BQUVCJJUQTZCBV-WBMJQRKESA-N 1 1 337.424 0.113 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cccc4c3oc(=O)n4C)C[C@H]2C1 ZINC001048862225 757213027 /nfs/dbraw/zinc/21/30/27/757213027.db2.gz USGHWCOIQUAXBX-BETUJISGSA-N 1 1 325.368 0.769 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]Cc3cn(C)nn3)C(C)(C)C2)c1 ZINC000996273762 757223065 /nfs/dbraw/zinc/22/30/65/757223065.db2.gz LEKMCFWGSSLHIR-MRXNPFEDSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]Cc3ncnn3C)C(C)(C)C2)c1 ZINC000996274106 757223569 /nfs/dbraw/zinc/22/35/69/757223569.db2.gz NFJVCDYUDLZOFJ-OAHLLOKOSA-N 1 1 338.415 0.832 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@@H]1N(C(=O)[C@@H](C)C#N)CC2 ZINC001014344141 762530359 /nfs/dbraw/zinc/53/03/59/762530359.db2.gz UDKMGJIAPLBVMU-JDFRZJQESA-N 1 1 329.404 0.991 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O ZINC001076811252 757251995 /nfs/dbraw/zinc/25/19/95/757251995.db2.gz HBNUMYXOMZJDEZ-IXDOHACOSA-N 1 1 328.416 0.314 20 30 ECEDMO C=CCC(CC=C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001048874277 757253835 /nfs/dbraw/zinc/25/38/35/757253835.db2.gz VQWGGLCOODLYFF-IKGGRYGDSA-N 1 1 349.475 0.737 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 ZINC001107180542 757300270 /nfs/dbraw/zinc/30/02/70/757300270.db2.gz YAUYBOYUOJVEBO-CQSZACIVSA-N 1 1 331.424 0.149 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12 ZINC000990998609 757306645 /nfs/dbraw/zinc/30/66/45/757306645.db2.gz PFCLHOVYNYLAEH-GDBMZVCRSA-N 1 1 341.477 0.711 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@H]2C1 ZINC001048915944 757397353 /nfs/dbraw/zinc/39/73/53/757397353.db2.gz PPXBVWSUOHBQNU-IYBDPMFKSA-N 1 1 331.416 0.685 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC)cc3)C[C@H]2C1 ZINC001048922770 757422364 /nfs/dbraw/zinc/42/23/64/757422364.db2.gz GOFZVNOMVKNSGH-OKILXGFUSA-N 1 1 327.384 0.657 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@]3(COC)CCOC3)nn2)C1 ZINC001107189687 757427282 /nfs/dbraw/zinc/42/72/82/757427282.db2.gz FAUZDHTXOBHVRV-KRWDZBQOSA-N 1 1 349.435 0.380 20 30 ECEDMO C#CCCCCCC(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107192410 757464019 /nfs/dbraw/zinc/46/40/19/757464019.db2.gz KMSDJWNBPNYZNK-AWEZNQCLSA-N 1 1 333.436 0.716 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nncn4CC3)C[C@H]2C1 ZINC001048946307 757486877 /nfs/dbraw/zinc/48/68/77/757486877.db2.gz RBPINPIQCCFVIY-HRCADAONSA-N 1 1 327.432 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001011314793 757489797 /nfs/dbraw/zinc/48/97/97/757489797.db2.gz LFPXWBFZGHRRPL-PMPSAXMXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001011314793 757489800 /nfs/dbraw/zinc/48/98/00/757489800.db2.gz LFPXWBFZGHRRPL-PMPSAXMXSA-N 1 1 333.432 0.180 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cccnc3)C2)c1 ZINC001076892786 757491209 /nfs/dbraw/zinc/49/12/09/757491209.db2.gz PXBZCBWDKJAGIM-QZTJIDSGSA-N 1 1 336.395 0.857 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cccnc3)C2)c1 ZINC001076892786 757491213 /nfs/dbraw/zinc/49/12/13/757491213.db2.gz PXBZCBWDKJAGIM-QZTJIDSGSA-N 1 1 336.395 0.857 20 30 ECEDMO C#CCC1(C(=O)N(C)[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2O)CCC1 ZINC001048949778 757493065 /nfs/dbraw/zinc/49/30/65/757493065.db2.gz NBICUXZQIDISRM-HOTGVXAUSA-N 1 1 349.475 0.552 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@H]2C1 ZINC001048952998 757498890 /nfs/dbraw/zinc/49/88/90/757498890.db2.gz UNPIYQBXJLCGMM-GUTXKFCHSA-N 1 1 329.404 0.332 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001011321384 757510650 /nfs/dbraw/zinc/51/06/50/757510650.db2.gz SSKCSOJMVPHDQX-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001011321384 757510656 /nfs/dbraw/zinc/51/06/56/757510656.db2.gz SSKCSOJMVPHDQX-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@H]2C1 ZINC001048960923 757524185 /nfs/dbraw/zinc/52/41/85/757524185.db2.gz QXRNVNVWXSRCCI-VVLHAWIVSA-N 1 1 333.432 0.036 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cnon3)C(C)(C)C2)nn1 ZINC000996391402 757525680 /nfs/dbraw/zinc/52/56/80/757525680.db2.gz XUVUVIJHGJEACI-ZDUSSCGKSA-N 1 1 331.380 0.488 20 30 ECEDMO Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907525 757565384 /nfs/dbraw/zinc/56/53/84/757565384.db2.gz RYTNVRSFXBQCAH-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907525 757565390 /nfs/dbraw/zinc/56/53/90/757565390.db2.gz RYTNVRSFXBQCAH-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001105900602 762560393 /nfs/dbraw/zinc/56/03/93/762560393.db2.gz PYUNVZNBKDUOOC-CQSZACIVSA-N 1 1 343.391 0.223 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000996445671 757623089 /nfs/dbraw/zinc/62/30/89/757623089.db2.gz ZZVJWIFLHURXON-HNNXBMFYSA-N 1 1 325.412 0.950 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(CCOC)nn2)C1 ZINC001021583870 757639876 /nfs/dbraw/zinc/63/98/76/757639876.db2.gz IJJHRVOHJTWZLA-HOCLYGCPSA-N 1 1 331.420 0.484 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001021591702 757655652 /nfs/dbraw/zinc/65/56/52/757655652.db2.gz MBKCXRCWFFUBRM-KGLIPLIRSA-N 1 1 330.436 0.988 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001021597966 757667751 /nfs/dbraw/zinc/66/77/51/757667751.db2.gz SMIWWLGXDKGRNX-HIFRSBDPSA-N 1 1 326.462 0.920 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)c1 ZINC001049019078 757708689 /nfs/dbraw/zinc/70/86/89/757708689.db2.gz PNDFSKNRISRGFQ-XHSDSOJGSA-N 1 1 339.399 0.130 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)cn2)C1 ZINC001021636525 757718674 /nfs/dbraw/zinc/71/86/74/757718674.db2.gz QNHWYOIYFIKBNM-HOCLYGCPSA-N 1 1 328.416 0.730 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001076953087 757721132 /nfs/dbraw/zinc/72/11/32/757721132.db2.gz LORWDQNKROGIHU-HOTGVXAUSA-N 1 1 347.463 0.484 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(=O)n(C)[nH]4)C[C@@H]3C2)CC1 ZINC001049027284 757733249 /nfs/dbraw/zinc/73/32/49/757733249.db2.gz MBNFJBZJPNXBNV-GASCZTMLSA-N 1 1 345.447 0.745 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(=O)n(C)[nH]4)C[C@@H]3C2)CC1 ZINC001049027284 757733255 /nfs/dbraw/zinc/73/32/55/757733255.db2.gz MBNFJBZJPNXBNV-GASCZTMLSA-N 1 1 345.447 0.745 20 30 ECEDMO C#CCN1CC(n2cc(CNC(=O)C[N@@H+]3CCC(C)(C)C3)nn2)C1 ZINC001107212240 757745355 /nfs/dbraw/zinc/74/53/55/757745355.db2.gz VUCCDFPNDURYIZ-UHFFFAOYSA-N 1 1 330.436 0.116 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049035606 757753027 /nfs/dbraw/zinc/75/30/27/757753027.db2.gz LXMCIBOPWFXXFI-NPSOMJIGSA-N 1 1 333.432 0.784 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)c(F)c1 ZINC001021661551 757753559 /nfs/dbraw/zinc/75/35/59/757753559.db2.gz PGXQYPNTTURSFZ-GDBMZVCRSA-N 1 1 344.390 0.996 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@H]21 ZINC001021661571 757753823 /nfs/dbraw/zinc/75/38/23/757753823.db2.gz PKEDFEJXJZQFDZ-DLBZAZTESA-N 1 1 325.412 0.836 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]21 ZINC001021662902 757756402 /nfs/dbraw/zinc/75/64/02/757756402.db2.gz YQODADNSEUJXHV-RDJZCZTQSA-N 1 1 343.402 0.975 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)CC[C@@H]32)c1 ZINC001021668512 757763486 /nfs/dbraw/zinc/76/34/86/757763486.db2.gz ONMZCBMCUHQTDI-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001049049004 757779284 /nfs/dbraw/zinc/77/92/84/757779284.db2.gz UXNDZEFVLNTBGM-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3C[N@H+](CC(N)=O)CC[C@H]32)nn1 ZINC001021688706 757784601 /nfs/dbraw/zinc/78/46/01/757784601.db2.gz QDAREIIKAANZTI-UKRRQHHQSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(N)=O)CC[C@H]32)nn1 ZINC001021688706 757784603 /nfs/dbraw/zinc/78/46/03/757784603.db2.gz QDAREIIKAANZTI-UKRRQHHQSA-N 1 1 346.435 0.266 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001021689009 757785792 /nfs/dbraw/zinc/78/57/92/757785792.db2.gz UNCOWDDSHJQFJY-KGLIPLIRSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C[C@H]2C1 ZINC001049053410 757789667 /nfs/dbraw/zinc/78/96/67/757789667.db2.gz CBJCYKAAGREPRQ-TWMKSMIVSA-N 1 1 345.443 0.180 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001021696345 757805009 /nfs/dbraw/zinc/80/50/09/757805009.db2.gz JLMNGJBXMFVNAY-SJORKVTESA-N 1 1 342.443 0.806 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1 ZINC001021699506 757814050 /nfs/dbraw/zinc/81/40/50/757814050.db2.gz QRLMAVVUOOOWQA-WOSRLPQWSA-N 1 1 341.415 0.511 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1 ZINC001021699714 757814364 /nfs/dbraw/zinc/81/43/64/757814364.db2.gz UAASBJUENATWPD-SQWLQELKSA-N 1 1 341.415 0.511 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021709587 757839712 /nfs/dbraw/zinc/83/97/12/757839712.db2.gz CGWCVNXQFFQMSD-LSDHHAIUSA-N 1 1 346.431 0.265 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021713161 757850359 /nfs/dbraw/zinc/85/03/59/757850359.db2.gz MQRDOYLNGIHDOM-ZIAGYGMSSA-N 1 1 334.420 0.427 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)CC[C@H]32)cn1 ZINC001021717927 757856518 /nfs/dbraw/zinc/85/65/18/757856518.db2.gz SQOLPWBQBGBEFV-GOEBONIOSA-N 1 1 326.400 0.475 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CCC2=O)C1 ZINC001021730513 757873967 /nfs/dbraw/zinc/87/39/67/757873967.db2.gz NXRPDWCGUWMJMN-LSDHHAIUSA-N 1 1 331.416 0.472 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CCC2=O)C1 ZINC001021730512 757874028 /nfs/dbraw/zinc/87/40/28/757874028.db2.gz NXRPDWCGUWMJMN-HUUCEWRRSA-N 1 1 331.416 0.472 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021733613 757880455 /nfs/dbraw/zinc/88/04/55/757880455.db2.gz PTIPTWFWSIRZNZ-UKRRQHHQSA-N 1 1 344.415 0.436 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nncn3C)C(C)(C)C2)nc1 ZINC000996529243 757898159 /nfs/dbraw/zinc/89/81/59/757898159.db2.gz SDJRYWLHLQZERG-HNNXBMFYSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3nncn3C)C(C)(C)C2)cn1 ZINC000996536218 757917281 /nfs/dbraw/zinc/91/72/81/757917281.db2.gz NVSKHWYNUDTPHA-OAHLLOKOSA-N 1 1 338.415 0.832 20 30 ECEDMO C=CCn1cccc1C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001077018456 757947993 /nfs/dbraw/zinc/94/79/93/757947993.db2.gz XNOKKLQNYHHVQY-HOCLYGCPSA-N 1 1 348.447 0.629 20 30 ECEDMO C=CCn1cccc1C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001077018456 757948004 /nfs/dbraw/zinc/94/80/04/757948004.db2.gz XNOKKLQNYHHVQY-HOCLYGCPSA-N 1 1 348.447 0.629 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCCOC4)C[C@@H]3C2)nn1 ZINC001049103127 757964125 /nfs/dbraw/zinc/96/41/25/757964125.db2.gz GIXIJTAJCZILBV-OAGGEKHMSA-N 1 1 345.447 0.895 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001049104681 757968208 /nfs/dbraw/zinc/96/82/08/757968208.db2.gz QQWIUOJEUAQNIO-DFGXFYAUSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001077027139 757981388 /nfs/dbraw/zinc/98/13/88/757981388.db2.gz CZEQTELJDSOQST-OWCLPIDISA-N 1 1 333.436 0.527 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001077027139 757981393 /nfs/dbraw/zinc/98/13/93/757981393.db2.gz CZEQTELJDSOQST-OWCLPIDISA-N 1 1 333.436 0.527 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@H]2C1 ZINC001049114550 758001776 /nfs/dbraw/zinc/00/17/76/758001776.db2.gz JKOREZWLPPZBHX-OKILXGFUSA-N 1 1 341.415 0.911 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001077071351 758090632 /nfs/dbraw/zinc/09/06/32/758090632.db2.gz WPDXPHIZCMGULL-CHWSQXEVSA-N 1 1 328.372 0.370 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001077071351 758090643 /nfs/dbraw/zinc/09/06/43/758090643.db2.gz WPDXPHIZCMGULL-CHWSQXEVSA-N 1 1 328.372 0.370 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049140677 758108378 /nfs/dbraw/zinc/10/83/78/758108378.db2.gz PYXZFIKDDCFJQX-OAGGEKHMSA-N 1 1 345.447 0.895 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049140881 758110113 /nfs/dbraw/zinc/11/01/13/758110113.db2.gz XEJQORSVZIQLLT-HRCADAONSA-N 1 1 343.431 0.342 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2cccc3OC)C1 ZINC001077082660 758115260 /nfs/dbraw/zinc/11/52/60/758115260.db2.gz VIMBGLCFWPPWKW-UKRRQHHQSA-N 1 1 330.388 0.694 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049149170 758129282 /nfs/dbraw/zinc/12/92/82/758129282.db2.gz ADQILYCLZHWJKY-RLFYNMQTSA-N 1 1 339.480 0.961 20 30 ECEDMO CC(=O)CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107279611 758144670 /nfs/dbraw/zinc/14/46/70/758144670.db2.gz HKWJIZTWIWMLAY-CRAIPNDOSA-N 1 1 348.447 0.746 20 30 ECEDMO CC(=O)CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107279611 758144673 /nfs/dbraw/zinc/14/46/73/758144673.db2.gz HKWJIZTWIWMLAY-CRAIPNDOSA-N 1 1 348.447 0.746 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)Cn3nc4n(c3=O)CCCC4)C[C@H]2C1 ZINC001049155195 758154691 /nfs/dbraw/zinc/15/46/91/758154691.db2.gz JYSNOADMCAVACD-GASCZTMLSA-N 1 1 345.447 0.347 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)O1 ZINC001022020483 758171831 /nfs/dbraw/zinc/17/18/31/758171831.db2.gz MPDQFVLXSAKJQN-XLNGHYISSA-N 1 1 345.443 0.178 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)O1 ZINC001022020483 758171832 /nfs/dbraw/zinc/17/18/32/758171832.db2.gz MPDQFVLXSAKJQN-XLNGHYISSA-N 1 1 345.443 0.178 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)C[C@H]2C1 ZINC001049162627 758183067 /nfs/dbraw/zinc/18/30/67/758183067.db2.gz YLVZJDXBJYPFJC-OKILXGFUSA-N 1 1 331.420 0.819 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC001011646804 758205451 /nfs/dbraw/zinc/20/54/51/758205451.db2.gz YWAHVTVUDMGBGE-MRXNPFEDSA-N 1 1 340.427 0.689 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)[C@@H](O)C1 ZINC001083563793 758206885 /nfs/dbraw/zinc/20/68/85/758206885.db2.gz DUZJZFYQRWOHFA-NFAWXSAZSA-N 1 1 334.420 0.195 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)cn1 ZINC001049178255 758233302 /nfs/dbraw/zinc/23/33/02/758233302.db2.gz BSEDGBJQGDJWKV-HLLBOEOZSA-N 1 1 338.411 0.297 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)o4)C[C@@H]3C2)cn1 ZINC001049177947 758233920 /nfs/dbraw/zinc/23/39/20/758233920.db2.gz VVWDJOFDDBJBOY-GASCZTMLSA-N 1 1 337.383 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)o4)C[C@@H]3C2)cn1 ZINC001049177947 758233931 /nfs/dbraw/zinc/23/39/31/758233931.db2.gz VVWDJOFDDBJBOY-GASCZTMLSA-N 1 1 337.383 0.958 20 30 ECEDMO CCCC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107309382 758235916 /nfs/dbraw/zinc/23/59/16/758235916.db2.gz HRCZAPOOMRRSHO-VQIMIIECSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccnn1C ZINC001077124066 758254300 /nfs/dbraw/zinc/25/43/00/758254300.db2.gz LVSDKSUNCKCQNF-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccnn1C ZINC001077124066 758254310 /nfs/dbraw/zinc/25/43/10/758254310.db2.gz LVSDKSUNCKCQNF-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3=COCCC3)CCC[C@@H]12 ZINC001107319323 758259857 /nfs/dbraw/zinc/25/98/57/758259857.db2.gz KAVVUULRJAMQBB-CRAIPNDOSA-N 1 1 346.431 0.681 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001077124767 758286961 /nfs/dbraw/zinc/28/69/61/758286961.db2.gz FDWGWUSNDGSLED-ULQDDVLXSA-N 1 1 348.491 0.579 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c(C)cnn1C ZINC001077125225 758290373 /nfs/dbraw/zinc/29/03/73/758290373.db2.gz PLOJDFNKBRIGNJ-GJZGRUSLSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c(C)cnn1C ZINC001077125225 758290388 /nfs/dbraw/zinc/29/03/88/758290388.db2.gz PLOJDFNKBRIGNJ-GJZGRUSLSA-N 1 1 345.447 0.451 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077139113 758296134 /nfs/dbraw/zinc/29/61/34/758296134.db2.gz XYTOCXUQYJFLJC-BFYDXBDKSA-N 1 1 333.432 0.876 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC001049211843 758321156 /nfs/dbraw/zinc/32/11/56/758321156.db2.gz JZZXWWIWUGVNEI-PHIMTYICSA-N 1 1 338.795 0.242 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2=COCCC2)C1=O ZINC001032311659 758351622 /nfs/dbraw/zinc/35/16/22/758351622.db2.gz KRQCJWOVJXTHJV-JYJNAYRXSA-N 1 1 331.416 0.753 20 30 ECEDMO C[C@H](O)C[NH+]1CC(OC2CCN(C(=O)CSCC#N)CC2)C1 ZINC001105690865 758433253 /nfs/dbraw/zinc/43/32/53/758433253.db2.gz BEIQZVMWPVEQRS-LBPRGKRZSA-N 1 1 327.450 0.316 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1O ZINC001049250176 758435787 /nfs/dbraw/zinc/43/57/87/758435787.db2.gz ZWHSZYITOLLPFJ-ULQDDVLXSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2noc(CC)n2)C1 ZINC001022221087 758442566 /nfs/dbraw/zinc/44/25/66/758442566.db2.gz XJJGGAZPFNULJV-MJBXVCDLSA-N 1 1 331.420 0.466 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2noc(CC)n2)C1 ZINC001022221087 758442571 /nfs/dbraw/zinc/44/25/71/758442571.db2.gz XJJGGAZPFNULJV-MJBXVCDLSA-N 1 1 331.420 0.466 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cn(C)nn1)CC2 ZINC001107401915 758471693 /nfs/dbraw/zinc/47/16/93/758471693.db2.gz GBRSCAUKXYGVQL-YXJHDRRASA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cn(C)nn1)CC2 ZINC001107401915 758471697 /nfs/dbraw/zinc/47/16/97/758471697.db2.gz GBRSCAUKXYGVQL-YXJHDRRASA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)OCC#C)CCC[C@@H]12 ZINC001107402942 758472609 /nfs/dbraw/zinc/47/26/09/758472609.db2.gz UYCGGIIPCDGPBH-FRQCXROJSA-N 1 1 345.443 0.135 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)CC(N)=O)c1 ZINC001049382431 758604465 /nfs/dbraw/zinc/60/44/65/758604465.db2.gz ONDABUPVIGGAOK-HZPDHXFCSA-N 1 1 326.400 0.999 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)c1c[nH]c(C#N)c1 ZINC001077254615 758605461 /nfs/dbraw/zinc/60/54/61/758605461.db2.gz GGJNYTPXKUBWNQ-SWLSCSKDSA-N 1 1 331.420 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC001107457868 758619930 /nfs/dbraw/zinc/61/99/30/758619930.db2.gz UBAUWUUPWOSBQO-CRAIPNDOSA-N 1 1 347.463 0.909 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001077257023 758630819 /nfs/dbraw/zinc/63/08/19/758630819.db2.gz PCWNIVKAHYWPNL-HUUCEWRRSA-N 1 1 331.420 0.428 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)N2CCC2)c1 ZINC001049401184 758633928 /nfs/dbraw/zinc/63/39/28/758633928.db2.gz MSJXELDZRLHNRM-HOTGVXAUSA-N 1 1 341.415 0.798 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)NC2CC2)c[nH]1 ZINC001049425876 758669503 /nfs/dbraw/zinc/66/95/03/758669503.db2.gz PYZGTHJZBRXCPW-CVEARBPZSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)NC2CC2)c[nH]1 ZINC001049425876 758669511 /nfs/dbraw/zinc/66/95/11/758669511.db2.gz PYZGTHJZBRXCPW-CVEARBPZSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(CC)c2)C1=O ZINC001032320962 758681658 /nfs/dbraw/zinc/68/16/58/758681658.db2.gz AIVLUELYIFRBPQ-JYJNAYRXSA-N 1 1 343.431 0.589 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(CC)c2)C1=O ZINC001032320962 758681665 /nfs/dbraw/zinc/68/16/65/758681665.db2.gz AIVLUELYIFRBPQ-JYJNAYRXSA-N 1 1 343.431 0.589 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2n[nH]c(C)c2C)C1=O ZINC001032322616 758689265 /nfs/dbraw/zinc/68/92/65/758689265.db2.gz VJRILIOJGUTNJA-SOUVJXGZSA-N 1 1 343.431 0.712 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2n[nH]c(C)c2C)C1=O ZINC001032322616 758689272 /nfs/dbraw/zinc/68/92/72/758689272.db2.gz VJRILIOJGUTNJA-SOUVJXGZSA-N 1 1 343.431 0.712 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)CC(C)(C)O)C1=O ZINC001049445673 758716749 /nfs/dbraw/zinc/71/67/49/758716749.db2.gz FVFFCVVSGONGPJ-OAGGEKHMSA-N 1 1 349.475 1.000 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H](O)CNc2cc(CC)[nH+]c(C)n2)nc1 ZINC001105908487 762653209 /nfs/dbraw/zinc/65/32/09/762653209.db2.gz REMNDBTYCUIFKZ-HNNXBMFYSA-N 1 1 339.399 0.927 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001049456749 758739190 /nfs/dbraw/zinc/73/91/90/758739190.db2.gz OISFQZCNGYPVPD-KURKYZTESA-N 1 1 342.443 0.723 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001077322024 758793509 /nfs/dbraw/zinc/79/35/09/758793509.db2.gz ZAFMFFZONUOEPZ-IAGOWNOFSA-N 1 1 331.416 0.925 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049579658 758957168 /nfs/dbraw/zinc/95/71/68/758957168.db2.gz MKSWEEZQLGMMSU-HUUCEWRRSA-N 1 1 346.431 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049594931 758974722 /nfs/dbraw/zinc/97/47/22/758974722.db2.gz MXSUQMZEORILGA-VQHPVUNQSA-N 1 1 347.459 0.888 20 30 ECEDMO C[C@@H](CCNC(=O)CC[NH+]1CCOCC1)NC(=O)c1ccc(C#N)[nH]1 ZINC001077394494 758983967 /nfs/dbraw/zinc/98/39/67/758983967.db2.gz RFBYJDMFYUPRFG-ZDUSSCGKSA-N 1 1 347.419 0.233 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1COCCN1CC(F)F ZINC001049611207 758990779 /nfs/dbraw/zinc/99/07/79/758990779.db2.gz FQFQLUHYDSBHCT-RBSFLKMASA-N 1 1 341.402 0.651 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC001077397138 758991736 /nfs/dbraw/zinc/99/17/36/758991736.db2.gz MYHHBBAVOWNIKJ-NXEZZACHSA-N 1 1 330.310 0.535 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049621366 759003813 /nfs/dbraw/zinc/00/38/13/759003813.db2.gz MFWOHPVLLLHXQA-BSDSXHPESA-N 1 1 347.459 0.711 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001049631322 759019292 /nfs/dbraw/zinc/01/92/92/759019292.db2.gz WCNHUHQZZNQRRV-STQMWFEESA-N 1 1 340.391 0.006 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnnn3CC)C2)nn1 ZINC001098669469 759025787 /nfs/dbraw/zinc/02/57/87/759025787.db2.gz REUTUVSYDNPPOT-CQSZACIVSA-N 1 1 344.423 0.642 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC3CC3)C2)nn1 ZINC001098669822 759064208 /nfs/dbraw/zinc/06/42/08/759064208.db2.gz YKCXNYDJRWQKTR-QGZVFWFLSA-N 1 1 343.431 0.757 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc([C@H]3CCOC3)c2)[C@@H](O)C1 ZINC001083585754 759106921 /nfs/dbraw/zinc/10/69/21/759106921.db2.gz MIZHIQFYYQDANZ-KSZLIROESA-N 1 1 328.412 0.989 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc([C@H]3CCOC3)c2)[C@@H](O)C1 ZINC001083585754 759106924 /nfs/dbraw/zinc/10/69/24/759106924.db2.gz MIZHIQFYYQDANZ-KSZLIROESA-N 1 1 328.412 0.989 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccoc2Cl)C1 ZINC000991055360 759106931 /nfs/dbraw/zinc/10/69/31/759106931.db2.gz JCTBZVRXBLXIED-ZDUSSCGKSA-N 1 1 335.791 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccoc2Cl)C1 ZINC000991055360 759106934 /nfs/dbraw/zinc/10/69/34/759106934.db2.gz JCTBZVRXBLXIED-ZDUSSCGKSA-N 1 1 335.791 0.971 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049722653 759133261 /nfs/dbraw/zinc/13/32/61/759133261.db2.gz KTOYLGPBOWGAER-LTIDMASMSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001049764149 759177144 /nfs/dbraw/zinc/17/71/44/759177144.db2.gz TUXHMDOHTPSIDZ-ARFHVFGLSA-N 1 1 338.473 0.900 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)NC ZINC001049777500 759191986 /nfs/dbraw/zinc/19/19/86/759191986.db2.gz INGYEVUWJSHQEK-IVSAIRAKSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)NC ZINC001049777500 759191993 /nfs/dbraw/zinc/19/19/93/759191993.db2.gz INGYEVUWJSHQEK-IVSAIRAKSA-N 1 1 335.448 0.779 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049813076 759245571 /nfs/dbraw/zinc/24/55/71/759245571.db2.gz XDAJNMRSDJWRPM-CABCVRRESA-N 1 1 344.415 0.827 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049850950 759300856 /nfs/dbraw/zinc/30/08/56/759300856.db2.gz VCYGJWZORRPEMU-UONOGXRCSA-N 1 1 342.403 0.673 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001049869402 759322309 /nfs/dbraw/zinc/32/23/09/759322309.db2.gz GODGWIJJOGGKBZ-BRWVUGGUSA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC000991100011 759327154 /nfs/dbraw/zinc/32/71/54/759327154.db2.gz LOPAKFYPSBYVSS-OGHNNQOOSA-N 1 1 334.420 0.664 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C(=O)NC)n1 ZINC001049875347 759332426 /nfs/dbraw/zinc/33/24/26/759332426.db2.gz IWCAKSYGQHEQBN-CVEARBPZSA-N 1 1 326.400 0.753 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001047635536 759363103 /nfs/dbraw/zinc/36/31/03/759363103.db2.gz XYBOKCJXEOWOMA-JQFCIGGWSA-N 1 1 332.448 0.984 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001047636027 759364228 /nfs/dbraw/zinc/36/42/28/759364228.db2.gz KRYWBGFTAHBOJJ-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cncc(C(N)=O)c1 ZINC001049901153 759380098 /nfs/dbraw/zinc/38/00/98/759380098.db2.gz XIZSRHQNLNRONK-HOTGVXAUSA-N 1 1 326.400 0.883 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 ZINC001049918435 759400869 /nfs/dbraw/zinc/40/08/69/759400869.db2.gz KXJGNJMDVZBFON-ZIAGYGMSSA-N 1 1 332.408 0.018 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001049919232 759403063 /nfs/dbraw/zinc/40/30/63/759403063.db2.gz OCIQOHQUSJBRDV-CABCVRRESA-N 1 1 346.435 0.231 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001054242933 767858731 /nfs/dbraw/zinc/85/87/31/767858731.db2.gz UCMAILRJEHVQLD-FUHWJXTLSA-N 1 1 335.448 0.734 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001050012001 759546511 /nfs/dbraw/zinc/54/65/11/759546511.db2.gz XLFYTPOLZCQEEG-AEGPPILISA-N 1 1 329.404 0.687 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001050012166 759547136 /nfs/dbraw/zinc/54/71/36/759547136.db2.gz ZDABVZBJFARCAM-DUVNUKRYSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(CCCCN2CC[NH+](CC)CC2)C1=O ZINC000348429621 759582512 /nfs/dbraw/zinc/58/25/12/759582512.db2.gz NILBWXUZOQMNJC-HNNXBMFYSA-N 1 1 338.452 0.527 20 30 ECEDMO C#CCOCCC(=O)N1CCC(OC2C[NH+](C[C@H](C)OC)C2)CC1 ZINC001105708654 759662617 /nfs/dbraw/zinc/66/26/17/759662617.db2.gz SQXBRBOUEFPJDY-HNNXBMFYSA-N 1 1 338.448 0.753 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001050077638 759664387 /nfs/dbraw/zinc/66/43/87/759664387.db2.gz BZEQZOWMIUIEJA-RRFJBIMHSA-N 1 1 343.431 0.492 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cn4c(n3)COCC4)[C@@H]2C1 ZINC001050077517 759664445 /nfs/dbraw/zinc/66/44/45/759664445.db2.gz XQURSSXXIIDMNG-GOEBONIOSA-N 1 1 328.416 0.973 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001050078683 759666303 /nfs/dbraw/zinc/66/63/03/759666303.db2.gz SAUXSDKIADLTMF-SOUVJXGZSA-N 1 1 343.431 0.492 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089610 759684684 /nfs/dbraw/zinc/68/46/84/759684684.db2.gz OCYHCIIQORGNSS-RRFJBIMHSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001050096630 759694936 /nfs/dbraw/zinc/69/49/36/759694936.db2.gz SYJDLOXOFXVUCZ-JJXSEGSLSA-N 1 1 333.432 0.356 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1=O ZINC000348488228 759843273 /nfs/dbraw/zinc/84/32/73/759843273.db2.gz DCRVKQPANSBCAN-GJZGRUSLSA-N 1 1 338.452 0.381 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@H](C(C)C)N2CC[NH+](C)CC2)C1=O ZINC000348488229 759843435 /nfs/dbraw/zinc/84/34/35/759843435.db2.gz DCRVKQPANSBCAN-HUUCEWRRSA-N 1 1 338.452 0.381 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)c3cn(C)c(=O)n3C)cc2C1 ZINC001054292472 767901497 /nfs/dbraw/zinc/90/14/97/767901497.db2.gz GVAXEZFAWOMRHK-UHFFFAOYSA-N 1 1 338.411 0.993 20 30 ECEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)c3cn(C)c(=O)n3C)cc2C1 ZINC001054292472 767901499 /nfs/dbraw/zinc/90/14/99/767901499.db2.gz GVAXEZFAWOMRHK-UHFFFAOYSA-N 1 1 338.411 0.993 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@@H]4CCOC4)[C@@H]3C2)C1=O ZINC001050176787 759870481 /nfs/dbraw/zinc/87/04/81/759870481.db2.gz VFYQCBOANMGRCL-VVLHAWIVSA-N 1 1 347.459 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001050180545 759883417 /nfs/dbraw/zinc/88/34/17/759883417.db2.gz GLEWYONUBXECGY-UONOGXRCSA-N 1 1 334.420 0.379 20 30 ECEDMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212138752 759930443 /nfs/dbraw/zinc/93/04/43/759930443.db2.gz FEOZUUIERPDGLS-RBSFLKMASA-N 1 1 347.419 0.359 20 30 ECEDMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212138752 759930446 /nfs/dbraw/zinc/93/04/46/759930446.db2.gz FEOZUUIERPDGLS-RBSFLKMASA-N 1 1 347.419 0.359 20 30 ECEDMO Cn1ncc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)n1 ZINC000995673431 760016501 /nfs/dbraw/zinc/01/65/01/760016501.db2.gz CDVTUGGGPZQJKL-CQSZACIVSA-N 1 1 327.392 0.655 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001050314527 760109507 /nfs/dbraw/zinc/10/95/07/760109507.db2.gz WNBGNRKCFMXFAZ-HIFRSBDPSA-N 1 1 334.420 0.747 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001098673406 760351706 /nfs/dbraw/zinc/35/17/06/760351706.db2.gz PWZRQTMERRBWMQ-ZBFHGGJFSA-N 1 1 349.435 0.216 20 30 ECEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@]1(C)CCC(=O)N1)C2 ZINC001111525072 760355499 /nfs/dbraw/zinc/35/54/99/760355499.db2.gz LQFWJVCXZJWGJQ-JEWRLFTDSA-N 1 1 347.459 0.807 20 30 ECEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@]1(C)CCC(=O)N1)C2 ZINC001111525072 760355507 /nfs/dbraw/zinc/35/55/07/760355507.db2.gz LQFWJVCXZJWGJQ-JEWRLFTDSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)CCC)C[C@H](C)O2 ZINC001111533877 767946957 /nfs/dbraw/zinc/94/69/57/767946957.db2.gz PASIJVPOYDTAMJ-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CN2CCCC2=O)cc1 ZINC001032270866 760448882 /nfs/dbraw/zinc/44/88/82/760448882.db2.gz OFCRQWNPMHAENN-IRXDYDNUSA-N 1 1 338.411 0.966 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CN2CCCC2=O)cc1 ZINC001032270866 760448886 /nfs/dbraw/zinc/44/88/86/760448886.db2.gz OFCRQWNPMHAENN-IRXDYDNUSA-N 1 1 338.411 0.966 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c(C)noc2C)C1=O ZINC001032273218 760458121 /nfs/dbraw/zinc/45/81/21/760458121.db2.gz YNLIEQVFLYADGR-SOUVJXGZSA-N 1 1 344.415 0.977 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c(C)noc2C)C1=O ZINC001032273218 760458124 /nfs/dbraw/zinc/45/81/24/760458124.db2.gz YNLIEQVFLYADGR-SOUVJXGZSA-N 1 1 344.415 0.977 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C2CCCC2)[C@@H](O)C1 ZINC001083723108 767961823 /nfs/dbraw/zinc/96/18/23/767961823.db2.gz VXEGDILKFMRAJS-ZACQAIPSSA-N 1 1 337.464 0.367 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNc1ccncc1C#N ZINC001054410421 767963544 /nfs/dbraw/zinc/96/35/44/767963544.db2.gz UXZZBUWXTTUWHT-IJEWVQPXSA-N 1 1 327.432 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@H](C)C(=O)NC2CC2)C1 ZINC001030024696 760630497 /nfs/dbraw/zinc/63/04/97/760630497.db2.gz FRSWOWAXSRITAF-OIISXLGYSA-N 1 1 346.475 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@H](C)C(=O)NC2CC2)C1 ZINC001030024696 760630506 /nfs/dbraw/zinc/63/05/06/760630506.db2.gz FRSWOWAXSRITAF-OIISXLGYSA-N 1 1 346.475 0.332 20 30 ECEDMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C2 ZINC001048516604 760647508 /nfs/dbraw/zinc/64/75/08/760647508.db2.gz MHDXVOIQAPBNLQ-MHDGFBEUSA-N 1 1 329.404 0.733 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCS1(=O)=O)C2 ZINC001048531762 760670846 /nfs/dbraw/zinc/67/08/46/760670846.db2.gz CIFRFAKLSIPDIS-QKPAOTATSA-N 1 1 338.473 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2(C)CCOCC2)C1 ZINC000995837124 760672146 /nfs/dbraw/zinc/67/21/46/760672146.db2.gz HNDFXPKVWWEMAT-HNNXBMFYSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2(C)CCOCC2)C1 ZINC000995837124 760672154 /nfs/dbraw/zinc/67/21/54/760672154.db2.gz HNDFXPKVWWEMAT-HNNXBMFYSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(Cn3ccnn3)o2)[C@@H](O)C1 ZINC001083661991 760739433 /nfs/dbraw/zinc/73/94/33/760739433.db2.gz UFKUXPBUVKLBLW-KGLIPLIRSA-N 1 1 331.376 0.270 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(Cn3ccnn3)o2)[C@@H](O)C1 ZINC001083661991 760739443 /nfs/dbraw/zinc/73/94/43/760739443.db2.gz UFKUXPBUVKLBLW-KGLIPLIRSA-N 1 1 331.376 0.270 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001048586853 760759776 /nfs/dbraw/zinc/75/97/76/760759776.db2.gz XHJSHEORGMTOAD-YVSFHVDLSA-N 1 1 333.432 0.226 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)C[C@@H](C)O2 ZINC001111538476 760799137 /nfs/dbraw/zinc/79/91/37/760799137.db2.gz KAEWTQAOXGSCHL-LSDHHAIUSA-N 1 1 348.447 0.530 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C)on4)C[C@H]3C2)C1=O ZINC001048667688 760900969 /nfs/dbraw/zinc/90/09/69/760900969.db2.gz BIISBXLWKKOQAP-LZWOXQAQSA-N 1 1 344.415 0.774 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C)on4)C[C@H]3C2)C1=O ZINC001048667687 760901337 /nfs/dbraw/zinc/90/13/37/760901337.db2.gz BIISBXLWKKOQAP-IJEWVQPXSA-N 1 1 344.415 0.774 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CCCC)C1 ZINC001077444285 760944494 /nfs/dbraw/zinc/94/44/94/760944494.db2.gz RQHZNYBURVBKQE-OWCLPIDISA-N 1 1 325.453 0.225 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048704915 760980577 /nfs/dbraw/zinc/98/05/77/760980577.db2.gz MLWFACHPDSHBHX-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CCOCC2)c1 ZINC001050869913 761042719 /nfs/dbraw/zinc/04/27/19/761042719.db2.gz YXFCJGXFQYGWKD-OAHLLOKOSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@H+]2CC2CCOCC2)c1 ZINC001050869913 761042725 /nfs/dbraw/zinc/04/27/25/761042725.db2.gz YXFCJGXFQYGWKD-OAHLLOKOSA-N 1 1 332.404 0.744 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@@H]2C1 ZINC001048726433 761050737 /nfs/dbraw/zinc/05/07/37/761050737.db2.gz DVXARHDEAOMKGM-VBNZEHGJSA-N 1 1 326.400 0.835 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001048732611 761066704 /nfs/dbraw/zinc/06/67/04/761066704.db2.gz HLJQBJDJYKGIBH-OKILXGFUSA-N 1 1 330.363 0.463 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001048732611 761066712 /nfs/dbraw/zinc/06/67/12/761066712.db2.gz HLJQBJDJYKGIBH-OKILXGFUSA-N 1 1 330.363 0.463 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H](C)CC)C1 ZINC001048746116 761104293 /nfs/dbraw/zinc/10/42/93/761104293.db2.gz VNXIHVMRBMFDAC-QAETUUGQSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H](C)CC)C1 ZINC001048746116 761104297 /nfs/dbraw/zinc/10/42/97/761104297.db2.gz VNXIHVMRBMFDAC-QAETUUGQSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ocnc4C)C[C@H]3C2)C1=O ZINC001048748793 761107764 /nfs/dbraw/zinc/10/77/64/761107764.db2.gz ZBZYJANBWJXUGD-ZNMIVQPWSA-N 1 1 344.415 0.774 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001048757449 761121739 /nfs/dbraw/zinc/12/17/39/761121739.db2.gz DXHZTANUOKAACW-WCVJEAGWSA-N 1 1 335.448 0.160 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNc2ccnc(C#N)n2)C1 ZINC001060254113 761147908 /nfs/dbraw/zinc/14/79/08/761147908.db2.gz URUMCUSUZQPQKD-UONOGXRCSA-N 1 1 328.420 0.515 20 30 ECEDMO C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001050954347 761213630 /nfs/dbraw/zinc/21/36/30/761213630.db2.gz VNJOPGPJQIHZHL-SJORKVTESA-N 1 1 337.464 0.633 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001077449003 761231146 /nfs/dbraw/zinc/23/11/46/761231146.db2.gz QHLRGZNCUVLPLZ-BRWVUGGUSA-N 1 1 328.412 0.964 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001050994378 761290421 /nfs/dbraw/zinc/29/04/21/761290421.db2.gz RJFOVDMSEILPNY-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1c1ccnc(C#N)n1 ZINC001051014773 761339135 /nfs/dbraw/zinc/33/91/35/761339135.db2.gz CTZFZZDZPFOOIB-MJBXVCDLSA-N 1 1 328.420 0.773 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001054550283 768038822 /nfs/dbraw/zinc/03/88/22/768038822.db2.gz CSEQSSOQIBMMMX-FZMZJTMJSA-N 1 1 342.407 0.704 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)[C@@H]2C)CC[N@H+]1C ZINC001051146077 761560043 /nfs/dbraw/zinc/56/00/43/761560043.db2.gz SDKWQIRUDZXWGI-GBOPCIDUSA-N 1 1 328.420 0.772 20 30 ECEDMO C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001051205962 761685647 /nfs/dbraw/zinc/68/56/47/761685647.db2.gz NMWOHDFXVYGBIA-CABCVRRESA-N 1 1 334.420 0.747 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CCOCC2)cn1 ZINC001051217126 761708377 /nfs/dbraw/zinc/70/83/77/761708377.db2.gz POXQRTGSDLDKHW-GOSISDBHSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CCOCC2)cn1 ZINC001051217126 761708384 /nfs/dbraw/zinc/70/83/84/761708384.db2.gz POXQRTGSDLDKHW-GOSISDBHSA-N 1 1 343.427 0.920 20 30 ECEDMO C=C(C)CCN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001051249462 761762176 /nfs/dbraw/zinc/76/21/76/761762176.db2.gz FVTCRNQMXFLBBI-HOTGVXAUSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(C)CCN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001051249462 761762182 /nfs/dbraw/zinc/76/21/82/761762182.db2.gz FVTCRNQMXFLBBI-HOTGVXAUSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ncoc3CC)C[C@]2(C)C1 ZINC001101183644 761819329 /nfs/dbraw/zinc/81/93/29/761819329.db2.gz WYKRFBKARHCYNA-ACJLOTCBSA-N 1 1 346.431 0.933 20 30 ECEDMO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCNC3=O)cccc2C1 ZINC001051296947 761846440 /nfs/dbraw/zinc/84/64/40/761846440.db2.gz FQAVQIYBUIEAKK-KRWDZBQOSA-N 1 1 325.412 0.820 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCN(C)C3=O)cccc2C1 ZINC001051297533 761847346 /nfs/dbraw/zinc/84/73/46/761847346.db2.gz QXVJLJRJUASTRP-QGZVFWFLSA-N 1 1 325.412 0.772 20 30 ECEDMO C=CCC[N@H+]1CCc2c(CNC(=O)[C@@H]3CNC(=O)N3)cccc2C1 ZINC001051300204 761850421 /nfs/dbraw/zinc/85/04/21/761850421.db2.gz UCLAQQAIYJKIOU-INIZCTEOSA-N 1 1 328.416 0.918 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ncccc2C#N)C[C@@H]1O ZINC001051698200 762722235 /nfs/dbraw/zinc/72/22/35/762722235.db2.gz ARRIYBANRRJUOF-CABCVRRESA-N 1 1 340.387 0.214 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3ccn(CC)n3)C2)C1=O ZINC001014512046 762778589 /nfs/dbraw/zinc/77/85/89/762778589.db2.gz MXLGJDZBHASZDV-CVEARBPZSA-N 1 1 345.447 0.423 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3ccn(CC)n3)C2)C1=O ZINC001014512046 762778590 /nfs/dbraw/zinc/77/85/90/762778590.db2.gz MXLGJDZBHASZDV-CVEARBPZSA-N 1 1 345.447 0.423 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nncn3C)C2)cc1 ZINC001051748102 762864639 /nfs/dbraw/zinc/86/46/39/762864639.db2.gz VWKYVQTXFQTBBI-MRXNPFEDSA-N 1 1 339.399 0.427 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051755092 762884972 /nfs/dbraw/zinc/88/49/72/762884972.db2.gz DJIIQYYRVWXGOK-CYBMUJFWSA-N 1 1 334.424 0.537 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC1=O ZINC001014613082 762901641 /nfs/dbraw/zinc/90/16/41/762901641.db2.gz AZQQDROXYKUGTL-VXGBXAGGSA-N 1 1 332.429 0.789 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1=O ZINC001014613082 762901644 /nfs/dbraw/zinc/90/16/44/762901644.db2.gz AZQQDROXYKUGTL-VXGBXAGGSA-N 1 1 332.429 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H](C)OC)CC1 ZINC001017536291 768092529 /nfs/dbraw/zinc/09/25/29/768092529.db2.gz HAZWZHWPSGYWQI-HOCLYGCPSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H](C)OC)CC1 ZINC001017536291 768092534 /nfs/dbraw/zinc/09/25/34/768092534.db2.gz HAZWZHWPSGYWQI-HOCLYGCPSA-N 1 1 333.432 0.394 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1nc(C#N)c(Cl)s1 ZINC001105944391 762988528 /nfs/dbraw/zinc/98/85/28/762988528.db2.gz OGMIIGXNPLXRAE-VIFPVBQESA-N 1 1 345.856 0.899 20 30 ECEDMO O=C(C[C@H]1CCNC1=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014709586 763023509 /nfs/dbraw/zinc/02/35/09/763023509.db2.gz BRMGBKZWRZXUQY-SJORKVTESA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(C[C@H]1CCNC1=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014709586 763023514 /nfs/dbraw/zinc/02/35/14/763023514.db2.gz BRMGBKZWRZXUQY-SJORKVTESA-N 1 1 325.412 0.755 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC001051833961 763075563 /nfs/dbraw/zinc/07/55/63/763075563.db2.gz BPDZXVLXEGEXFL-XHSDSOJGSA-N 1 1 346.431 0.693 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nncs2)C1 ZINC001051834471 763077048 /nfs/dbraw/zinc/07/70/48/763077048.db2.gz OTHGZHVGYJZLPR-UPJWGTAASA-N 1 1 338.433 0.446 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(C)n2CC)C1 ZINC001014768607 763122533 /nfs/dbraw/zinc/12/25/33/763122533.db2.gz DVVYRECGXOIYPT-CVEARBPZSA-N 1 1 344.463 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(C)n2CC)C1 ZINC001014768607 763122540 /nfs/dbraw/zinc/12/25/40/763122540.db2.gz DVVYRECGXOIYPT-CVEARBPZSA-N 1 1 344.463 0.395 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccnc(OC)c2)C1 ZINC001014768957 763123178 /nfs/dbraw/zinc/12/31/78/763123178.db2.gz GVVLOGWHUXKXMJ-SJORKVTESA-N 1 1 342.443 0.878 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccnc(OC)c2)C1 ZINC001014768957 763123185 /nfs/dbraw/zinc/12/31/85/763123185.db2.gz GVVLOGWHUXKXMJ-SJORKVTESA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccnc(OC)c2)C1 ZINC001014768957 763123192 /nfs/dbraw/zinc/12/31/92/763123192.db2.gz GVVLOGWHUXKXMJ-SJORKVTESA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccnc(OC)c2)C1 ZINC001014768957 763123197 /nfs/dbraw/zinc/12/31/97/763123197.db2.gz GVVLOGWHUXKXMJ-SJORKVTESA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(OC)nn2)C1 ZINC001014771421 763128145 /nfs/dbraw/zinc/12/81/45/763128145.db2.gz YANOHFWDIFWGTI-HOCLYGCPSA-N 1 1 343.431 0.273 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(OC)nn2)C1 ZINC001014771421 763128150 /nfs/dbraw/zinc/12/81/50/763128150.db2.gz YANOHFWDIFWGTI-HOCLYGCPSA-N 1 1 343.431 0.273 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cnccc3C)C2)C1=O ZINC001014776878 763135809 /nfs/dbraw/zinc/13/58/09/763135809.db2.gz REZFNARSJWRPLG-SJORKVTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cnccc3C)C2)C1=O ZINC001014776878 763135818 /nfs/dbraw/zinc/13/58/18/763135818.db2.gz REZFNARSJWRPLG-SJORKVTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3nocc3C)C2)nn1 ZINC001051860671 763136222 /nfs/dbraw/zinc/13/62/22/763136222.db2.gz OSPSZVIJPGHICC-CYBMUJFWSA-N 1 1 346.391 0.391 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3coc(C)n3)C2)nn1 ZINC001051860830 763137320 /nfs/dbraw/zinc/13/73/20/763137320.db2.gz RPTRCUQDGABQOB-CQSZACIVSA-N 1 1 346.391 0.391 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccn3nnnc3c2)C1 ZINC001089847505 763156462 /nfs/dbraw/zinc/15/64/62/763156462.db2.gz VEKYFFTUWDNWIN-VGWMRTNUSA-N 1 1 336.399 0.540 20 30 ECEDMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)cc1=O ZINC001014792841 763170252 /nfs/dbraw/zinc/17/02/52/763170252.db2.gz OAFQDOWUQNOINO-HNNXBMFYSA-N 1 1 337.383 0.656 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COc1cnn(C)c1 ZINC001089853500 763186412 /nfs/dbraw/zinc/18/64/12/763186412.db2.gz USFDUEWJUPMPPC-OWLYRPNTSA-N 1 1 342.443 0.991 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)cc1 ZINC000995056909 763234710 /nfs/dbraw/zinc/23/47/10/763234710.db2.gz SKWBJVLVGQPXEV-GOEBONIOSA-N 1 1 338.415 0.880 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001046853593 763237854 /nfs/dbraw/zinc/23/78/54/763237854.db2.gz AOWBYMWPZVUPOO-QGZVFWFLSA-N 1 1 348.451 0.527 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCCN(C)C3=O)C2)cc1 ZINC001031892230 763346827 /nfs/dbraw/zinc/34/68/27/763346827.db2.gz RYAXICAMRZAJSN-QGZVFWFLSA-N 1 1 325.412 0.950 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(OCC)n[nH]3)C2)C1=O ZINC001014889274 763379818 /nfs/dbraw/zinc/37/98/18/763379818.db2.gz NORZHMXBXOEWHV-OCCSQVGLSA-N 1 1 347.419 0.399 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(OCC)n[nH]3)C2)C1=O ZINC001014889274 763379826 /nfs/dbraw/zinc/37/98/26/763379826.db2.gz NORZHMXBXOEWHV-OCCSQVGLSA-N 1 1 347.419 0.399 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCO[C@H](C[NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001051944303 763412665 /nfs/dbraw/zinc/41/26/65/763412665.db2.gz UVFABYSCJIXZRW-FUHWJXTLSA-N 1 1 349.475 0.185 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ncc(C3CC3)o2)C1 ZINC001030461842 763431488 /nfs/dbraw/zinc/43/14/88/763431488.db2.gz AFJAXYDEQYASTI-HNNXBMFYSA-N 1 1 328.416 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ncc(C3CC3)o2)C1 ZINC001030461842 763431492 /nfs/dbraw/zinc/43/14/92/763431492.db2.gz AFJAXYDEQYASTI-HNNXBMFYSA-N 1 1 328.416 0.950 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3nn[n-]c3n2)C1 ZINC001046943994 763433180 /nfs/dbraw/zinc/43/31/80/763433180.db2.gz ZBQSVFUSFUWXJP-SNVBAGLBSA-N 1 1 334.330 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3nn[n-]c3n2)C1 ZINC001046943994 763433184 /nfs/dbraw/zinc/43/31/84/763433184.db2.gz ZBQSVFUSFUWXJP-SNVBAGLBSA-N 1 1 334.330 0.673 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001046943994 763433190 /nfs/dbraw/zinc/43/31/90/763433190.db2.gz ZBQSVFUSFUWXJP-SNVBAGLBSA-N 1 1 334.330 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001046943994 763433195 /nfs/dbraw/zinc/43/31/95/763433195.db2.gz ZBQSVFUSFUWXJP-SNVBAGLBSA-N 1 1 334.330 0.673 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046946272 763436629 /nfs/dbraw/zinc/43/66/29/763436629.db2.gz VCMVRASCEGKNAO-QWHCGFSZSA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046946272 763436632 /nfs/dbraw/zinc/43/66/32/763436632.db2.gz VCMVRASCEGKNAO-QWHCGFSZSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2oc(CC)nc2C)C1 ZINC001030464508 763458463 /nfs/dbraw/zinc/45/84/63/763458463.db2.gz XDEBGQNQHGVPAE-HNNXBMFYSA-N 1 1 330.432 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2oc(CC)nc2C)C1 ZINC001030464508 763458468 /nfs/dbraw/zinc/45/84/68/763458468.db2.gz XDEBGQNQHGVPAE-HNNXBMFYSA-N 1 1 330.432 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc(C3CC3)no2)C1 ZINC001030464546 763458814 /nfs/dbraw/zinc/45/88/14/763458814.db2.gz YSTZTXFSDQCJIG-KRWDZBQOSA-N 1 1 328.416 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc(C3CC3)no2)C1 ZINC001030464546 763458823 /nfs/dbraw/zinc/45/88/23/763458823.db2.gz YSTZTXFSDQCJIG-KRWDZBQOSA-N 1 1 328.416 0.950 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001105994603 763468169 /nfs/dbraw/zinc/46/81/69/763468169.db2.gz DAAPXZXHZHPNFP-GJZGRUSLSA-N 1 1 346.435 0.500 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001046961362 763469069 /nfs/dbraw/zinc/46/90/69/763469069.db2.gz WGIWIHYCEWWASD-STQMWFEESA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001046961362 763469077 /nfs/dbraw/zinc/46/90/77/763469077.db2.gz WGIWIHYCEWWASD-STQMWFEESA-N 1 1 327.375 0.609 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001046967878 763483134 /nfs/dbraw/zinc/48/31/34/763483134.db2.gz ZHURZULHWGZAAW-CHWSQXEVSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001046968482 763485598 /nfs/dbraw/zinc/48/55/98/763485598.db2.gz HSPFJSSKEUUEEZ-FRRDWIJNSA-N 1 1 327.375 0.417 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001046968482 763485602 /nfs/dbraw/zinc/48/56/02/763485602.db2.gz HSPFJSSKEUUEEZ-FRRDWIJNSA-N 1 1 327.375 0.417 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(C)c2Cl)C1 ZINC000995095107 763487585 /nfs/dbraw/zinc/48/75/85/763487585.db2.gz YANMVRKBSKYARZ-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(C)c2Cl)C1 ZINC000995095107 763487589 /nfs/dbraw/zinc/48/75/89/763487589.db2.gz YANMVRKBSKYARZ-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001046974948 763494516 /nfs/dbraw/zinc/49/45/16/763494516.db2.gz QZYXSVOQJUAFFW-RDBSUJKOSA-N 1 1 341.402 0.985 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001046974948 763494521 /nfs/dbraw/zinc/49/45/21/763494521.db2.gz QZYXSVOQJUAFFW-RDBSUJKOSA-N 1 1 341.402 0.985 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001046975008 763494755 /nfs/dbraw/zinc/49/47/55/763494755.db2.gz SAMBLICXVNAUSM-NSHDSACASA-N 1 1 338.358 0.824 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001046975008 763494757 /nfs/dbraw/zinc/49/47/57/763494757.db2.gz SAMBLICXVNAUSM-NSHDSACASA-N 1 1 338.358 0.824 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)c1 ZINC000995096626 763499279 /nfs/dbraw/zinc/49/92/79/763499279.db2.gz MFIOOLWISUGYDL-DZGCQCFKSA-N 1 1 339.403 0.275 20 30 ECEDMO C[C@H]1CN(C(=O)CC2CC2)CC2(CC[NH+](CC(=O)NCC#N)CC2)O1 ZINC001111531892 763556852 /nfs/dbraw/zinc/55/68/52/763556852.db2.gz KYNGPXFZWNASJX-AWEZNQCLSA-N 1 1 348.447 0.508 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCn2cncn2)C3)c[nH]1 ZINC001047053200 763597477 /nfs/dbraw/zinc/59/74/77/763597477.db2.gz UVUAICHMIYASBP-NOLJZWGESA-N 1 1 339.403 0.761 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C2)CC1 ZINC001052036526 763649629 /nfs/dbraw/zinc/64/96/29/763649629.db2.gz OEMLULYFFHCGHF-MRXNPFEDSA-N 1 1 344.463 0.560 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C2)CC1 ZINC001052036526 763649632 /nfs/dbraw/zinc/64/96/32/763649632.db2.gz OEMLULYFFHCGHF-MRXNPFEDSA-N 1 1 344.463 0.560 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc4ccnn43)C2)CC1 ZINC001052036798 763651190 /nfs/dbraw/zinc/65/11/90/763651190.db2.gz VOIBUAUBUBTECH-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)CC1 ZINC001052041235 763665243 /nfs/dbraw/zinc/66/52/43/763665243.db2.gz WPMXQXIOXSNFAO-AWEZNQCLSA-N 1 1 329.404 0.038 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)CC1 ZINC001052044933 763681109 /nfs/dbraw/zinc/68/11/09/763681109.db2.gz NWCFJHTUEGABRU-IAGOWNOFSA-N 1 1 343.475 0.850 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCc4nccn4C3)C2)CC1 ZINC001052044942 763681162 /nfs/dbraw/zinc/68/11/62/763681162.db2.gz NYRHISHRKCCEEJ-DLBZAZTESA-N 1 1 343.475 0.850 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)CC1 ZINC001052045626 763682990 /nfs/dbraw/zinc/68/29/90/763682990.db2.gz VIVMJXHNQSAZNN-CVEARBPZSA-N 1 1 342.447 0.188 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045443 763683473 /nfs/dbraw/zinc/68/34/73/763683473.db2.gz SXBAVNIAHMCKQW-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045722 763684578 /nfs/dbraw/zinc/68/45/78/763684578.db2.gz WWUHAYRYJVGPOX-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045722 763684580 /nfs/dbraw/zinc/68/45/80/763684580.db2.gz WWUHAYRYJVGPOX-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)CC1 ZINC001052047631 763691012 /nfs/dbraw/zinc/69/10/12/763691012.db2.gz ULGLWPXTZCZASY-IEBWSBKVSA-N 1 1 339.439 0.842 20 30 ECEDMO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001015024555 763691916 /nfs/dbraw/zinc/69/19/16/763691916.db2.gz NMTFPNLFEIWWDT-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001120450376 763716851 /nfs/dbraw/zinc/71/68/51/763716851.db2.gz VMEPQDHVWZIRRK-GJZGRUSLSA-N 1 1 341.477 0.214 20 30 ECEDMO CC1(C)CO[C@H](CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052052741 763716947 /nfs/dbraw/zinc/71/69/47/763716947.db2.gz WFBSTZXLGQSNMC-HZPDHXFCSA-N 1 1 334.464 0.934 20 30 ECEDMO Cc1nccc(CCC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052053579 763719147 /nfs/dbraw/zinc/71/91/47/763719147.db2.gz NRQGCTYOYNEJBS-QGZVFWFLSA-N 1 1 342.447 0.460 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3nccn3C)C2)CC1 ZINC001052057107 763729722 /nfs/dbraw/zinc/72/97/22/763729722.db2.gz LGQJMPJXRHZIHI-KRWDZBQOSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)CC1 ZINC001052058813 763736461 /nfs/dbraw/zinc/73/64/61/763736461.db2.gz AOAXBEYLAZCDQG-MRXNPFEDSA-N 1 1 329.448 0.502 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3nc(C)no3)C2)CC1 ZINC001052059880 763738801 /nfs/dbraw/zinc/73/88/01/763738801.db2.gz RQNBGTRTUXZKNT-HNNXBMFYSA-N 1 1 331.420 0.162 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](N2CC[NH+](CCn3cncn3)CC2)C1 ZINC001052061293 763744247 /nfs/dbraw/zinc/74/42/47/763744247.db2.gz WJPWOBBFEIVMQK-MRXNPFEDSA-N 1 1 346.479 0.709 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(CCn3cncn3)CC2)C1 ZINC001052061293 763744251 /nfs/dbraw/zinc/74/42/51/763744251.db2.gz WJPWOBBFEIVMQK-MRXNPFEDSA-N 1 1 346.479 0.709 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000995149892 763755713 /nfs/dbraw/zinc/75/57/13/763755713.db2.gz YOWZTFOFZHIBBR-INIZCTEOSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(c4cccnc4)CC3)C2)CC1 ZINC001052068653 763763409 /nfs/dbraw/zinc/76/34/09/763763409.db2.gz MALMKWNRORBGKX-GOSISDBHSA-N 1 1 338.455 0.965 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)C1 ZINC001052068440 763763418 /nfs/dbraw/zinc/76/34/18/763763418.db2.gz IYRCAUATKPZJDH-ROUUACIJSA-N 1 1 347.507 0.850 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCc4cccnc43)C2)CC1 ZINC001052068630 763763441 /nfs/dbraw/zinc/76/34/41/763763441.db2.gz LLAVPPHXKDELBF-ROUUACIJSA-N 1 1 338.455 0.963 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NC)C2 ZINC001047186068 763782406 /nfs/dbraw/zinc/78/24/06/763782406.db2.gz FYKJUCHIGYKCMM-WBAXXEDZSA-N 1 1 339.439 0.926 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)Oc3cccnc3)C2)CC1 ZINC001052079517 763793986 /nfs/dbraw/zinc/79/39/86/763793986.db2.gz BWIRISIIKQDVOX-DLBZAZTESA-N 1 1 342.443 0.701 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(CF)CCOCC3)C2)CC1 ZINC001052083492 763805520 /nfs/dbraw/zinc/80/55/20/763805520.db2.gz MKPJPWMBUZPNQU-MRXNPFEDSA-N 1 1 337.439 0.604 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(CC)nc3C)C2)CC1 ZINC001052089147 763823160 /nfs/dbraw/zinc/82/31/60/763823160.db2.gz OHYYEFLAUZGFMA-INIZCTEOSA-N 1 1 329.448 0.677 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H]1C ZINC001088859437 763826287 /nfs/dbraw/zinc/82/62/87/763826287.db2.gz BTQTWQFFNWOZMZ-KGLIPLIRSA-N 1 1 330.432 0.739 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc(N(C)C)c3)C2)CC1 ZINC001052093080 763835175 /nfs/dbraw/zinc/83/51/75/763835175.db2.gz KMIDLEYKTOZEBP-KRWDZBQOSA-N 1 1 341.459 0.613 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)CC1 ZINC001052093517 763837584 /nfs/dbraw/zinc/83/75/84/763837584.db2.gz QOZAZQMBCDADDP-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(CC)c[nH]c3=O)C2)CC1 ZINC001052100595 763861592 /nfs/dbraw/zinc/86/15/92/763861592.db2.gz GTLGSSQRUBXORX-MRXNPFEDSA-N 1 1 342.443 0.815 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3nonc3C)C2)CC1 ZINC001052102879 763868195 /nfs/dbraw/zinc/86/81/95/763868195.db2.gz JYROUQOZYQODLU-HNNXBMFYSA-N 1 1 331.420 0.162 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052105857 763877608 /nfs/dbraw/zinc/87/76/08/763877608.db2.gz SDMVQZWQKCUMCD-KRWDZBQOSA-N 1 1 327.432 0.261 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ncccc2C#N)C1 ZINC001106344888 768173262 /nfs/dbraw/zinc/17/32/62/768173262.db2.gz RHKOLJXBQFPADR-ZFWWWQNUSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ncccc2C#N)C1 ZINC001106344888 768173267 /nfs/dbraw/zinc/17/32/67/768173267.db2.gz RHKOLJXBQFPADR-ZFWWWQNUSA-N 1 1 331.420 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)cn1 ZINC000995178950 763906089 /nfs/dbraw/zinc/90/60/89/763906089.db2.gz ZMALKVICHYHOGT-IUODEOHRSA-N 1 1 339.403 0.275 20 30 ECEDMO Cn1cncc1CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052113162 763911077 /nfs/dbraw/zinc/91/10/77/763911077.db2.gz OHIFJABDJMPFHN-INIZCTEOSA-N 1 1 330.436 0.095 20 30 ECEDMO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047295632 763911433 /nfs/dbraw/zinc/91/14/33/763911433.db2.gz PFELDRRZWDQGKL-YESZJQIVSA-N 1 1 329.400 0.741 20 30 ECEDMO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047295632 763911438 /nfs/dbraw/zinc/91/14/38/763911438.db2.gz PFELDRRZWDQGKL-YESZJQIVSA-N 1 1 329.400 0.741 20 30 ECEDMO Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052117156 763927185 /nfs/dbraw/zinc/92/71/85/763927185.db2.gz HTNLZCUUBFKUBR-HNNXBMFYSA-N 1 1 330.436 0.311 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CN3CCCCCC3=O)C2)CC1 ZINC001052117643 763928210 /nfs/dbraw/zinc/92/82/10/763928210.db2.gz VYOXDXGDGQNZNL-KRWDZBQOSA-N 1 1 348.491 0.794 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CN3CCCCCC3=O)C2)CC1 ZINC001052117643 763928217 /nfs/dbraw/zinc/92/82/17/763928217.db2.gz VYOXDXGDGQNZNL-KRWDZBQOSA-N 1 1 348.491 0.794 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3ccccc3=O)C2)CC1 ZINC001052117586 763928862 /nfs/dbraw/zinc/92/88/62/763928862.db2.gz UOLDUMFSILAHLP-QGZVFWFLSA-N 1 1 342.443 0.090 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001047310619 763951174 /nfs/dbraw/zinc/95/11/74/763951174.db2.gz VVQBXMITJPBSPH-BFHYXJOUSA-N 1 1 328.420 0.997 20 30 ECEDMO NC(=O)c1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)[nH]1 ZINC001031982220 763962094 /nfs/dbraw/zinc/96/20/94/763962094.db2.gz KEDLKCZIUAIISN-UHFFFAOYSA-N 1 1 336.395 0.827 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC001031987493 763994734 /nfs/dbraw/zinc/99/47/34/763994734.db2.gz QDWCCRKDQITVHC-SJORKVTESA-N 1 1 343.427 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnccn3)CC2)C1=O ZINC001052167008 763996807 /nfs/dbraw/zinc/99/68/07/763996807.db2.gz OMEXZIIUFLSMEA-ZBFHGGJFSA-N 1 1 343.431 0.848 20 30 ECEDMO Cc1nc(C(=O)N(C)[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c[nH]1 ZINC001047327726 764011468 /nfs/dbraw/zinc/01/14/68/764011468.db2.gz IGTZYLXOORMICC-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1nc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c[nH]1 ZINC001047327726 764011476 /nfs/dbraw/zinc/01/14/76/764011476.db2.gz IGTZYLXOORMICC-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001052215936 764068181 /nfs/dbraw/zinc/06/81/81/764068181.db2.gz UCFCSNOIVYNMHM-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001052220255 764078901 /nfs/dbraw/zinc/07/89/01/764078901.db2.gz IFMQEIVRIQIMPP-HUUCEWRRSA-N 1 1 325.453 0.742 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088868728 764094662 /nfs/dbraw/zinc/09/46/62/764094662.db2.gz VKWLODIGNUITBJ-KBXIAJHMSA-N 1 1 336.436 0.182 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC(F)F)C1 ZINC001047379476 764165396 /nfs/dbraw/zinc/16/53/96/764165396.db2.gz BWWAVZNPRALJLJ-STQMWFEESA-N 1 1 326.347 0.289 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001106975784 764184291 /nfs/dbraw/zinc/18/42/91/764184291.db2.gz FXGUIDGLTSQWGD-LSDHHAIUSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289875 764200153 /nfs/dbraw/zinc/20/01/53/764200153.db2.gz GFJIVMFEKNUOEL-JSGCOSHPSA-N 1 1 331.420 0.947 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001047393650 764200471 /nfs/dbraw/zinc/20/04/71/764200471.db2.gz USFXYHBRMWGFCG-STQMWFEESA-N 1 1 336.440 0.050 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)c1 ZINC001052290297 764201793 /nfs/dbraw/zinc/20/17/93/764201793.db2.gz MZOPQOIJVAJTAL-OCCSQVGLSA-N 1 1 343.387 0.276 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001047397027 764209527 /nfs/dbraw/zinc/20/95/27/764209527.db2.gz KVMAUQODWWAXOF-STQMWFEESA-N 1 1 330.388 0.875 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(CC)c(CC)n[nH]c2=O)C1 ZINC001047398427 764215382 /nfs/dbraw/zinc/21/53/82/764215382.db2.gz OEDWUVWZPVNFBO-KBPBESRZSA-N 1 1 334.420 0.610 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)[nH]1 ZINC001052320762 764245593 /nfs/dbraw/zinc/24/55/93/764245593.db2.gz VPRKSFMHNKDYDP-GFCCVEGCSA-N 1 1 329.404 0.749 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001047407090 764247719 /nfs/dbraw/zinc/24/77/19/764247719.db2.gz CEPCBACERKGLFT-HOTGVXAUSA-N 1 1 329.400 0.805 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001047407090 764247729 /nfs/dbraw/zinc/24/77/29/764247729.db2.gz CEPCBACERKGLFT-HOTGVXAUSA-N 1 1 329.400 0.805 20 30 ECEDMO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047410028 764258534 /nfs/dbraw/zinc/25/85/34/764258534.db2.gz BRRAYJYITBHAGA-XIRDDKMYSA-N 1 1 333.432 0.828 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001047414159 764270401 /nfs/dbraw/zinc/27/04/01/764270401.db2.gz GCMRRQIKXKPHAC-JYJNAYRXSA-N 1 1 345.447 0.525 20 30 ECEDMO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001060394830 764284948 /nfs/dbraw/zinc/28/49/48/764284948.db2.gz NIYHUQSFFDWAOQ-OAHLLOKOSA-N 1 1 325.453 0.886 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000995273953 764285431 /nfs/dbraw/zinc/28/54/31/764285431.db2.gz NXNNAYLMLIAMLE-ZACQAIPSSA-N 1 1 340.427 0.487 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001047420009 764289972 /nfs/dbraw/zinc/28/99/72/764289972.db2.gz YITFYQQEASXYNJ-KBPBESRZSA-N 1 1 332.404 0.753 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(=O)[nH]c3)C2)C1=O ZINC001015303659 764338085 /nfs/dbraw/zinc/33/80/85/764338085.db2.gz QDNOJGJNHJYYJN-HUUCEWRRSA-N 1 1 344.415 0.307 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3ccc(=O)[nH]c3)C2)C1=O ZINC001015303659 764338090 /nfs/dbraw/zinc/33/80/90/764338090.db2.gz QDNOJGJNHJYYJN-HUUCEWRRSA-N 1 1 344.415 0.307 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001047460714 764413300 /nfs/dbraw/zinc/41/33/00/764413300.db2.gz NWNRTHSEWYAULM-XWSJACJDSA-N 1 1 342.439 0.913 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001047460714 764413307 /nfs/dbraw/zinc/41/33/07/764413307.db2.gz NWNRTHSEWYAULM-XWSJACJDSA-N 1 1 342.439 0.913 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CCCC)C1 ZINC001047471190 764437852 /nfs/dbraw/zinc/43/78/52/764437852.db2.gz KBCXHEPQFVOHTL-ULQDDVLXSA-N 1 1 339.480 0.567 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001047472978 764442126 /nfs/dbraw/zinc/44/21/26/764442126.db2.gz JCVPSRYQUNRWCJ-BPUTZDHNSA-N 1 1 346.431 0.064 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001047472978 764442131 /nfs/dbraw/zinc/44/21/31/764442131.db2.gz JCVPSRYQUNRWCJ-BPUTZDHNSA-N 1 1 346.431 0.064 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)S(C)(=O)=O ZINC001089872808 764443382 /nfs/dbraw/zinc/44/33/82/764443382.db2.gz JYKRMXVAHSFICJ-YJNKXOJESA-N 1 1 338.473 0.612 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001077579575 764481032 /nfs/dbraw/zinc/48/10/32/764481032.db2.gz GTUGLRGZWOBOMX-MGPQQGTHSA-N 1 1 329.391 0.148 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC001052439007 764497349 /nfs/dbraw/zinc/49/73/49/764497349.db2.gz GGZDSUQRLFYWFC-CABCVRRESA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC001052439007 764497359 /nfs/dbraw/zinc/49/73/59/764497359.db2.gz GGZDSUQRLFYWFC-CABCVRRESA-N 1 1 326.462 0.948 20 30 ECEDMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047496386 764507238 /nfs/dbraw/zinc/50/72/38/764507238.db2.gz BQCYRHPLJDFGSG-FLXSYLCISA-N 1 1 341.411 0.454 20 30 ECEDMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047496386 764507241 /nfs/dbraw/zinc/50/72/41/764507241.db2.gz BQCYRHPLJDFGSG-FLXSYLCISA-N 1 1 341.411 0.454 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001047498167 764513464 /nfs/dbraw/zinc/51/34/64/764513464.db2.gz JEUNWCDCVDRLLI-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001047500700 764524341 /nfs/dbraw/zinc/52/43/41/764524341.db2.gz GBGSFEBFGQKRJT-COXVUDFISA-N 1 1 332.448 0.920 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001047501399 764526713 /nfs/dbraw/zinc/52/67/13/764526713.db2.gz PIYPJGFOYIKVBD-COXVUDFISA-N 1 1 332.448 0.605 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001047501661 764527953 /nfs/dbraw/zinc/52/79/53/764527953.db2.gz RXRBOSVHTXCWBM-KSZLIROESA-N 1 1 349.475 0.157 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001047501661 764527961 /nfs/dbraw/zinc/52/79/61/764527961.db2.gz RXRBOSVHTXCWBM-KSZLIROESA-N 1 1 349.475 0.157 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001047501759 764528976 /nfs/dbraw/zinc/52/89/76/764528976.db2.gz UAWAOYJIXADOMM-JQFCIGGWSA-N 1 1 332.448 0.920 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nccn2C)CC1 ZINC001052456608 764537350 /nfs/dbraw/zinc/53/73/50/764537350.db2.gz IEPQPHUZJJEAKW-IRXDYDNUSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nccn2C)CC1 ZINC001052456608 764537352 /nfs/dbraw/zinc/53/73/52/764537352.db2.gz IEPQPHUZJJEAKW-IRXDYDNUSA-N 1 1 343.475 0.988 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001047504880 764538800 /nfs/dbraw/zinc/53/88/00/764538800.db2.gz VRAMYBAJLCGRQO-KKUMJFAQSA-N 1 1 343.418 0.490 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001047504880 764538809 /nfs/dbraw/zinc/53/88/09/764538809.db2.gz VRAMYBAJLCGRQO-KKUMJFAQSA-N 1 1 343.418 0.490 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001047507535 764544580 /nfs/dbraw/zinc/54/45/80/764544580.db2.gz PWOVQMWEJKQJPX-IRXDYDNUSA-N 1 1 327.384 0.927 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001047507535 764544585 /nfs/dbraw/zinc/54/45/85/764544585.db2.gz PWOVQMWEJKQJPX-IRXDYDNUSA-N 1 1 327.384 0.927 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089874427 764587274 /nfs/dbraw/zinc/58/72/74/764587274.db2.gz HDDZTSWXMRRXAU-XZDPQHSOSA-N 1 1 345.443 0.784 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001047533417 764618292 /nfs/dbraw/zinc/61/82/92/764618292.db2.gz NJXRAMJGPRYNRW-UGUYLWEFSA-N 1 1 349.431 0.886 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001047533417 764618298 /nfs/dbraw/zinc/61/82/98/764618298.db2.gz NJXRAMJGPRYNRW-UGUYLWEFSA-N 1 1 349.431 0.886 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cnnn2)C1 ZINC001089879603 764634365 /nfs/dbraw/zinc/63/43/65/764634365.db2.gz DDNJYDJHJAFMFK-VGWMRTNUSA-N 1 1 328.420 0.255 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001052506176 764643148 /nfs/dbraw/zinc/64/31/48/764643148.db2.gz YIIRYVAXOJRXSU-KGLIPLIRSA-N 1 1 331.420 0.540 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001047554565 764682975 /nfs/dbraw/zinc/68/29/75/764682975.db2.gz BQSNLKRTIWDJNW-KBPBESRZSA-N 1 1 332.404 0.753 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001047562319 764697992 /nfs/dbraw/zinc/69/79/92/764697992.db2.gz NXKCNFDAUHYKJI-RYUDHWBXSA-N 1 1 346.416 0.069 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001047564747 764704379 /nfs/dbraw/zinc/70/43/79/764704379.db2.gz AYQQZRJTCHRKSC-QWRGUYRKSA-N 1 1 330.310 0.569 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@@H]2C)nc1 ZINC001088990832 764717957 /nfs/dbraw/zinc/71/79/57/764717957.db2.gz RYUKUAZJQQFRQO-ZBFHGGJFSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001212193475 764734257 /nfs/dbraw/zinc/73/42/57/764734257.db2.gz FXUGZTDDLQLKBQ-LALPHHSUSA-N 1 1 336.379 0.411 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001212193475 764734260 /nfs/dbraw/zinc/73/42/60/764734260.db2.gz FXUGZTDDLQLKBQ-LALPHHSUSA-N 1 1 336.379 0.411 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3[nH]nnc3C)C2)cc1C#N ZINC001015479661 764740063 /nfs/dbraw/zinc/74/00/63/764740063.db2.gz MMUMSNVPJAZJSN-AWEZNQCLSA-N 1 1 340.387 0.998 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3[nH]nnc3C)C2)cc1C#N ZINC001015479661 764740073 /nfs/dbraw/zinc/74/00/73/764740073.db2.gz MMUMSNVPJAZJSN-AWEZNQCLSA-N 1 1 340.387 0.998 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001047584751 764779093 /nfs/dbraw/zinc/77/90/93/764779093.db2.gz XXQYVHFCZUCGNB-KCXAZCMYSA-N 1 1 330.432 0.675 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001047584751 764779097 /nfs/dbraw/zinc/77/90/97/764779097.db2.gz XXQYVHFCZUCGNB-KCXAZCMYSA-N 1 1 330.432 0.675 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@H]1C ZINC001089020343 764781248 /nfs/dbraw/zinc/78/12/48/764781248.db2.gz FBSDJFQRDZVUNR-KGLIPLIRSA-N 1 1 326.404 0.957 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@H]1C ZINC001089020343 764781256 /nfs/dbraw/zinc/78/12/56/764781256.db2.gz FBSDJFQRDZVUNR-KGLIPLIRSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001052589432 764810916 /nfs/dbraw/zinc/81/09/16/764810916.db2.gz JDYJKTXSKGIPIE-CYBMUJFWSA-N 1 1 325.376 0.275 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001047598091 764831756 /nfs/dbraw/zinc/83/17/56/764831756.db2.gz UUUHQMBXDZIIJI-TXPKVOOTSA-N 1 1 328.412 0.864 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001047598091 764831761 /nfs/dbraw/zinc/83/17/61/764831761.db2.gz UUUHQMBXDZIIJI-TXPKVOOTSA-N 1 1 328.412 0.864 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2-c2ccon2)C1 ZINC001047598397 764832849 /nfs/dbraw/zinc/83/28/49/764832849.db2.gz KLCNLTXVNZJZFA-STQMWFEESA-N 1 1 330.344 0.470 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2-c2ccon2)C1 ZINC001047598397 764832852 /nfs/dbraw/zinc/83/28/52/764832852.db2.gz KLCNLTXVNZJZFA-STQMWFEESA-N 1 1 330.344 0.470 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001015514373 764851904 /nfs/dbraw/zinc/85/19/04/764851904.db2.gz QEQWSPYVLUTYTJ-CVEARBPZSA-N 1 1 326.400 0.252 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001015514373 764851913 /nfs/dbraw/zinc/85/19/13/764851913.db2.gz QEQWSPYVLUTYTJ-CVEARBPZSA-N 1 1 326.400 0.252 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001047603927 764855509 /nfs/dbraw/zinc/85/55/09/764855509.db2.gz BBOFNOSDCFZFFP-GJZGRUSLSA-N 1 1 340.383 0.476 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001047603927 764855517 /nfs/dbraw/zinc/85/55/17/764855517.db2.gz BBOFNOSDCFZFFP-GJZGRUSLSA-N 1 1 340.383 0.476 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047609193 764868786 /nfs/dbraw/zinc/86/87/86/764868786.db2.gz BALNWRKPWDJCBS-SNRMKQJTSA-N 1 1 342.439 0.750 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1O ZINC001047609955 764872021 /nfs/dbraw/zinc/87/20/21/764872021.db2.gz NZMMZPLEOCIUFN-WBAXXEDZSA-N 1 1 330.428 0.749 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001047612420 764879818 /nfs/dbraw/zinc/87/98/18/764879818.db2.gz FVPKPMHABRKTQP-GJZGRUSLSA-N 1 1 343.387 0.424 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047623809 764910584 /nfs/dbraw/zinc/91/05/84/764910584.db2.gz AMRJCPROWJHZBL-PVAVHDDUSA-N 1 1 349.475 0.857 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001052670892 764971391 /nfs/dbraw/zinc/97/13/91/764971391.db2.gz JIFLDTUJLIHHMH-HZPDHXFCSA-N 1 1 341.415 0.710 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)s1 ZINC001052672466 764974207 /nfs/dbraw/zinc/97/42/07/764974207.db2.gz WETXDRVCYYGTAF-RISCZKNCSA-N 1 1 347.444 0.772 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)CC2)c1 ZINC001052695021 764997833 /nfs/dbraw/zinc/99/78/33/764997833.db2.gz FPEOIZAHNCOLAO-JKSUJKDBSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)c1 ZINC001052696647 765001117 /nfs/dbraw/zinc/00/11/17/765001117.db2.gz SOGUSSLKCYZOAD-IAGOWNOFSA-N 1 1 340.427 0.926 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)CC2)c1 ZINC001052698551 765004152 /nfs/dbraw/zinc/00/41/52/765004152.db2.gz LTELEXGMGSPVSX-QGZVFWFLSA-N 1 1 338.415 0.939 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cnnn4)cn3)CCC[C@@H]12 ZINC000991978034 765034823 /nfs/dbraw/zinc/03/48/23/765034823.db2.gz WDSISNNWHNYFIR-WBVHZDCISA-N 1 1 339.403 0.970 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015599803 765035488 /nfs/dbraw/zinc/03/54/88/765035488.db2.gz BVINBJPLPLDDJI-SMDDNHRTSA-N 1 1 332.429 0.931 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015599803 765035493 /nfs/dbraw/zinc/03/54/93/765035493.db2.gz BVINBJPLPLDDJI-SMDDNHRTSA-N 1 1 332.429 0.931 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CN(C)C(=O)COC ZINC001099102541 765070551 /nfs/dbraw/zinc/07/05/51/765070551.db2.gz NXHWSVDEXTYBAI-HNNXBMFYSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)nn1 ZINC001052774763 765096888 /nfs/dbraw/zinc/09/68/88/765096888.db2.gz IOLWRQCWLAXXIK-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)CC2)nn1 ZINC001052774910 765097544 /nfs/dbraw/zinc/09/75/44/765097544.db2.gz NRBKRCLQOQJPIT-OLZOCXBDSA-N 1 1 334.424 0.183 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)ccc1F ZINC001015633533 765105534 /nfs/dbraw/zinc/10/55/34/765105534.db2.gz HDSCKQDDYPDYRH-JSGCOSHPSA-N 1 1 331.351 0.069 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)ccc1F ZINC001015633533 765105537 /nfs/dbraw/zinc/10/55/37/765105537.db2.gz HDSCKQDDYPDYRH-JSGCOSHPSA-N 1 1 331.351 0.069 20 30 ECEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001030718168 765109014 /nfs/dbraw/zinc/10/90/14/765109014.db2.gz OIUJJDFRGXWSSB-SJORKVTESA-N 1 1 337.464 0.633 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786067 765118566 /nfs/dbraw/zinc/11/85/66/765118566.db2.gz NXGVTSDBJVGCLG-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000992007677 765130950 /nfs/dbraw/zinc/13/09/50/765130950.db2.gz VDLUFUNDAGMRFZ-OPFPJEHXSA-N 1 1 343.431 0.853 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)CCC(=O)N1 ZINC001015663752 765138738 /nfs/dbraw/zinc/13/87/38/765138738.db2.gz WTCLXCCSBFEXRD-APWZRJJASA-N 1 1 325.412 0.897 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CCC(=O)N1 ZINC001015663752 765138741 /nfs/dbraw/zinc/13/87/41/765138741.db2.gz WTCLXCCSBFEXRD-APWZRJJASA-N 1 1 325.412 0.897 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001015678499 765149738 /nfs/dbraw/zinc/14/97/38/765149738.db2.gz JDALUNRRMBPPNF-INIZCTEOSA-N 1 1 326.400 0.489 20 30 ECEDMO C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001052824085 765184498 /nfs/dbraw/zinc/18/44/98/765184498.db2.gz FHWNSTSKSJVNKU-UNEWFSDZSA-N 1 1 343.431 0.472 20 30 ECEDMO C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001052824085 765184502 /nfs/dbraw/zinc/18/45/02/765184502.db2.gz FHWNSTSKSJVNKU-UNEWFSDZSA-N 1 1 343.431 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001052830677 765193251 /nfs/dbraw/zinc/19/32/51/765193251.db2.gz IPXVLBCOYVUKNV-GJZGRUSLSA-N 1 1 331.420 0.532 20 30 ECEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001015707035 765200519 /nfs/dbraw/zinc/20/05/19/765200519.db2.gz LQOUCRVFCBFNEJ-YESZJQIVSA-N 1 1 340.427 0.973 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC001052849513 765224051 /nfs/dbraw/zinc/22/40/51/765224051.db2.gz WZCCVVGBXAEERT-CQSZACIVSA-N 1 1 333.436 0.538 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001052863326 765247160 /nfs/dbraw/zinc/24/71/60/765247160.db2.gz KRLXWTLXWRTBEM-AWEZNQCLSA-N 1 1 336.436 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)CC1 ZINC001052911434 765331905 /nfs/dbraw/zinc/33/19/05/765331905.db2.gz HMGUUDPOYPDBQU-AWEZNQCLSA-N 1 1 326.404 0.959 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001015829467 765392110 /nfs/dbraw/zinc/39/21/10/765392110.db2.gz TWUOVPWRNOCKPM-QRTARXTBSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001015829467 765392114 /nfs/dbraw/zinc/39/21/14/765392114.db2.gz TWUOVPWRNOCKPM-QRTARXTBSA-N 1 1 335.448 0.779 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)c1 ZINC001015834225 765402676 /nfs/dbraw/zinc/40/26/76/765402676.db2.gz ICDOYFZLIVCAKI-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC000992087294 765434781 /nfs/dbraw/zinc/43/47/81/765434781.db2.gz VIIYKXQBQFBMLA-CZUORRHYSA-N 1 1 340.855 0.284 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC000992087294 765434791 /nfs/dbraw/zinc/43/47/91/765434791.db2.gz VIIYKXQBQFBMLA-CZUORRHYSA-N 1 1 340.855 0.284 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3nonc3C)CC2)C1=O ZINC001052973902 765439631 /nfs/dbraw/zinc/43/96/31/765439631.db2.gz FWGNFJKBPAGOEF-KBPBESRZSA-N 1 1 347.419 0.749 20 30 ECEDMO Cc1cc(C#N)nc(NCCOCCN(C)C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001127233404 765479381 /nfs/dbraw/zinc/47/93/81/765479381.db2.gz QRYZLDGCPNCFKI-OAHLLOKOSA-N 1 1 346.435 0.638 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cnnn2)C1 ZINC001053066816 765541260 /nfs/dbraw/zinc/54/12/60/765541260.db2.gz ODISMJNWHYLXPB-JKSUJKDBSA-N 1 1 330.436 0.790 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)OC)C1 ZINC001111625100 765617101 /nfs/dbraw/zinc/61/71/01/765617101.db2.gz WTYVZMCNLACRSB-BBRMVZONSA-N 1 1 325.409 0.516 20 30 ECEDMO C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)CSCC#N ZINC001077495446 765636812 /nfs/dbraw/zinc/63/68/12/765636812.db2.gz FOXAQNVICQYTAI-QWHCGFSZSA-N 1 1 326.466 0.596 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(=O)c3ccccc23)C1 ZINC001077496101 765648508 /nfs/dbraw/zinc/64/85/08/765648508.db2.gz FXWMYAPLCAPKCM-HZPDHXFCSA-N 1 1 326.352 0.591 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(=O)c3ccccc23)C1 ZINC001077496101 765648511 /nfs/dbraw/zinc/64/85/11/765648511.db2.gz FXWMYAPLCAPKCM-HZPDHXFCSA-N 1 1 326.352 0.591 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1ccnc(C#N)n1 ZINC001106444987 768313596 /nfs/dbraw/zinc/31/35/96/768313596.db2.gz GJSPMSCAKUXFSA-KBPBESRZSA-N 1 1 330.436 0.950 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)[C@@H](O)C1 ZINC001083729608 768316448 /nfs/dbraw/zinc/31/64/48/768316448.db2.gz MLVNDDUUGSBCTM-UPJWGTAASA-N 1 1 335.370 0.608 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)cn1 ZINC001016033245 765735345 /nfs/dbraw/zinc/73/53/45/765735345.db2.gz HMVRXILDKPEDHI-HZPDHXFCSA-N 1 1 336.399 0.646 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001099126395 765838746 /nfs/dbraw/zinc/83/87/46/765838746.db2.gz RTICZRRNQPNBCR-HNNXBMFYSA-N 1 1 334.464 0.000 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)C[N@H+]2CCC(C)(C)C2)n1 ZINC001106108421 765846980 /nfs/dbraw/zinc/84/69/80/765846980.db2.gz IOJNRHZOOOQHAR-OAHLLOKOSA-N 1 1 345.447 0.883 20 30 ECEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCOC2(CN(CC#N)C2)C1 ZINC001053263399 765864581 /nfs/dbraw/zinc/86/45/81/765864581.db2.gz LXSDNFZEHIMIQT-AWEZNQCLSA-N 1 1 331.420 0.833 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001106109114 765872594 /nfs/dbraw/zinc/87/25/94/765872594.db2.gz UGBXLBMBSZLZLZ-ZFWWWQNUSA-N 1 1 331.420 0.635 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC(=O)N[C@H](C)C1)CCO2 ZINC001053321227 765966972 /nfs/dbraw/zinc/96/69/72/765966972.db2.gz BHHDUNKSNJPJDR-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 ZINC001053326118 765976398 /nfs/dbraw/zinc/97/63/98/765976398.db2.gz SNLDSPVCUDUNEB-UHFFFAOYSA-N 1 1 335.448 0.878 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccnc3n[nH]nc31)CCO2 ZINC001053335772 765994449 /nfs/dbraw/zinc/99/44/49/765994449.db2.gz LRBOONQOAURNAE-UHFFFAOYSA-N 1 1 342.403 0.846 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCC(=O)N1C)CCO2 ZINC001053370010 766045478 /nfs/dbraw/zinc/04/54/78/766045478.db2.gz QXQGEFQITCABJW-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001106467504 768344668 /nfs/dbraw/zinc/34/46/68/768344668.db2.gz VFEQYZQTDNVHDO-OLZOCXBDSA-N 1 1 339.403 0.851 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cccn3)nc2)[C@@H](O)C1 ZINC001083686010 766197012 /nfs/dbraw/zinc/19/70/12/766197012.db2.gz XIRKVERARRCPET-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H](C)C(N)=O)CC3)nn1 ZINC000992309472 766234556 /nfs/dbraw/zinc/23/45/56/766234556.db2.gz UVCGUHDFLVHISL-RBOXIYTFSA-N 1 1 332.408 0.065 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@@H](C)C(N)=O)CC3)nn1 ZINC000992309472 766234559 /nfs/dbraw/zinc/23/45/59/766234559.db2.gz UVCGUHDFLVHISL-RBOXIYTFSA-N 1 1 332.408 0.065 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCN(C(C)=O)C1)CCO2 ZINC001053520105 766272378 /nfs/dbraw/zinc/27/23/78/766272378.db2.gz IPXBVVXEQNNWBO-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cn4nc(C)cc4[nH]c3=O)CCC[C@H]12 ZINC000992324460 766279997 /nfs/dbraw/zinc/27/99/97/766279997.db2.gz ZDEFPYJRQJKGIB-KSSFIOAISA-N 1 1 339.399 0.691 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cn(C)c(=O)n1C)CCO2 ZINC001053545535 766311705 /nfs/dbraw/zinc/31/17/05/766311705.db2.gz YYSAZSKUSABLEF-UHFFFAOYSA-N 1 1 334.420 0.217 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)[C@@H](O)C1 ZINC001083690108 766342115 /nfs/dbraw/zinc/34/21/15/766342115.db2.gz BPZIWEWJODXJPW-OLZOCXBDSA-N 1 1 334.420 0.965 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248431 766344694 /nfs/dbraw/zinc/34/46/94/766344694.db2.gz DDYPIPHKVNSHRU-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001045784800 766368070 /nfs/dbraw/zinc/36/80/70/766368070.db2.gz GVCWJVSMNJOOEA-UHFFFAOYSA-N 1 1 346.431 0.627 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001045794446 766378159 /nfs/dbraw/zinc/37/81/59/766378159.db2.gz CPRMQWYTHQBUJR-CQSZACIVSA-N 1 1 335.448 0.517 20 30 ECEDMO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)O2 ZINC001053609280 766426947 /nfs/dbraw/zinc/42/69/47/766426947.db2.gz WAHBBCNHIFQTOI-LSDHHAIUSA-N 1 1 328.416 0.743 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001045851001 766433604 /nfs/dbraw/zinc/43/36/04/766433604.db2.gz MNECNPLZAJZRNH-TWMKSMIVSA-N 1 1 345.447 0.935 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@@H]12 ZINC000992387153 766451290 /nfs/dbraw/zinc/45/12/90/766451290.db2.gz ZYXUFDCDEMXVCD-ACJLOTCBSA-N 1 1 346.431 0.453 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@@H]12 ZINC000992394875 766468783 /nfs/dbraw/zinc/46/87/83/766468783.db2.gz GWFSSOHFECCUMD-QLJPJBMISA-N 1 1 334.376 0.809 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992396408 766473597 /nfs/dbraw/zinc/47/35/97/766473597.db2.gz LZPZFAFNSJVXLX-DYVFJYSZSA-N 1 1 334.420 0.570 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](C)O)CC1 ZINC001045896229 766478040 /nfs/dbraw/zinc/47/80/40/766478040.db2.gz YVVMKASRPHSIHH-NXHRZFHOSA-N 1 1 333.476 0.778 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](C)O)CC1 ZINC001045896229 766478045 /nfs/dbraw/zinc/47/80/45/766478045.db2.gz YVVMKASRPHSIHH-NXHRZFHOSA-N 1 1 333.476 0.778 20 30 ECEDMO C=CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)O2 ZINC001053638990 766494453 /nfs/dbraw/zinc/49/44/53/766494453.db2.gz FTUWOQHKSMVHSZ-BNQMIIOLSA-N 1 1 347.459 0.385 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001045947320 766518761 /nfs/dbraw/zinc/51/87/61/766518761.db2.gz CDENOTOWXDXGDJ-IBGZPJMESA-N 1 1 348.491 0.651 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cn(C)c(=O)cn1)C2 ZINC001045953930 766524685 /nfs/dbraw/zinc/52/46/85/766524685.db2.gz NDPANTFPPUYFNR-SFHVURJKSA-N 1 1 328.416 0.732 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@@H]12 ZINC000992423119 766534083 /nfs/dbraw/zinc/53/40/83/766534083.db2.gz DAGRDSJRCIBFOU-DYVFJYSZSA-N 1 1 340.387 0.168 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001045966839 766539070 /nfs/dbraw/zinc/53/90/70/766539070.db2.gz HSMRPOKECOVIAI-FRQCXROJSA-N 1 1 347.459 0.747 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001045973585 766543317 /nfs/dbraw/zinc/54/33/17/766543317.db2.gz NGLQKKDKLDPIRX-IBGZPJMESA-N 1 1 345.443 0.767 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cnccc1=O)C2 ZINC001045975835 766547079 /nfs/dbraw/zinc/54/70/79/766547079.db2.gz KDZCBHZWTNMCBP-LJQANCHMSA-N 1 1 342.443 0.971 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cnnn1)C2 ZINC001045977056 766547873 /nfs/dbraw/zinc/54/78/73/766547873.db2.gz QISOFQMLDWEREW-KRWDZBQOSA-N 1 1 330.436 0.791 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001045979089 766549599 /nfs/dbraw/zinc/54/95/99/766549599.db2.gz PBSZHIUOQBGNTM-SFHVURJKSA-N 1 1 348.447 0.819 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1OC ZINC001212257452 766589919 /nfs/dbraw/zinc/58/99/19/766589919.db2.gz CCNZJSGCAKFUHH-ZTFGCOKTSA-N 1 1 346.427 0.533 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](N3CCN(C(=O)C(C)C)CC3)C2)C1=O ZINC001046005606 766613558 /nfs/dbraw/zinc/61/35/58/766613558.db2.gz VMRWRPJBXWMOTJ-IRXDYDNUSA-N 1 1 348.491 0.648 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCn3cccn3)CC2)C1 ZINC001046006780 766616167 /nfs/dbraw/zinc/61/61/67/766616167.db2.gz TYUIFZQGCAPROP-QGZVFWFLSA-N 1 1 329.448 0.515 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)=O)O2 ZINC001053700973 766620800 /nfs/dbraw/zinc/62/08/00/766620800.db2.gz JGWAETGDPRNUGS-JKSUJKDBSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1OC ZINC001212260915 766630528 /nfs/dbraw/zinc/63/05/28/766630528.db2.gz OJDIMHIOSQKXSC-HZPDHXFCSA-N 1 1 335.404 0.647 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1OC ZINC001212260915 766630530 /nfs/dbraw/zinc/63/05/30/766630530.db2.gz OJDIMHIOSQKXSC-HZPDHXFCSA-N 1 1 335.404 0.647 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC001046011367 766635903 /nfs/dbraw/zinc/63/59/03/766635903.db2.gz COENAHFPCAERJW-GDBMZVCRSA-N 1 1 330.436 0.298 20 30 ECEDMO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)no1 ZINC001046013444 766642722 /nfs/dbraw/zinc/64/27/22/766642722.db2.gz YJWQFUMLPYFRRC-XJKSGUPXSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)no1 ZINC001046013444 766642725 /nfs/dbraw/zinc/64/27/25/766642725.db2.gz YJWQFUMLPYFRRC-XJKSGUPXSA-N 1 1 331.420 0.861 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC001046020316 766661821 /nfs/dbraw/zinc/66/18/21/766661821.db2.gz QJAPQKBOZRISFD-DLBZAZTESA-N 1 1 348.491 0.697 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)C1 ZINC001046021480 766666250 /nfs/dbraw/zinc/66/62/50/766666250.db2.gz IGFRFRSQRBHLJC-INIZCTEOSA-N 1 1 328.416 0.643 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cc3nc4ncccn4n3)CCC[C@H]12 ZINC000992478012 766670622 /nfs/dbraw/zinc/67/06/22/766670622.db2.gz OVOYGFUVROATMV-KBXCAEBGSA-N 1 1 338.415 0.803 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CC3OCCCO3)CC2)C1 ZINC001046024272 766674680 /nfs/dbraw/zinc/67/46/80/766674680.db2.gz ISVQTDUHTHYNOH-INIZCTEOSA-N 1 1 335.448 0.381 20 30 ECEDMO CN1C[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)CC1=O ZINC001031712181 766685831 /nfs/dbraw/zinc/68/58/31/766685831.db2.gz RMWOGXRBMMNHHO-QGZVFWFLSA-N 1 1 325.412 0.564 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2scnc2CC)C1 ZINC000994750784 766687632 /nfs/dbraw/zinc/68/76/32/766687632.db2.gz CNSUWSHKBIBQOM-AWEZNQCLSA-N 1 1 346.456 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2scnc2CC)C1 ZINC000994750784 766687638 /nfs/dbraw/zinc/68/76/38/766687638.db2.gz CNSUWSHKBIBQOM-AWEZNQCLSA-N 1 1 346.456 0.744 20 30 ECEDMO Cn1ccc(C[N@@H+]2CC[C@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)n1 ZINC001046027545 766687805 /nfs/dbraw/zinc/68/78/05/766687805.db2.gz PKGGRJGKCCRTPC-SFHVURJKSA-N 1 1 341.459 0.552 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)n1 ZINC001046027545 766687810 /nfs/dbraw/zinc/68/78/10/766687810.db2.gz PKGGRJGKCCRTPC-SFHVURJKSA-N 1 1 341.459 0.552 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3nn(C)cc3C)CC2)C1 ZINC001046028335 766690126 /nfs/dbraw/zinc/69/01/26/766690126.db2.gz ZMTVZQQPEAUNHF-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2CC)C[C@H]1OC ZINC001212262726 766695565 /nfs/dbraw/zinc/69/55/65/766695565.db2.gz XHANHGOCZJPPCI-NVXWUHKLSA-N 1 1 349.431 0.901 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2CC)C[C@H]1OC ZINC001212262726 766695569 /nfs/dbraw/zinc/69/55/69/766695569.db2.gz XHANHGOCZJPPCI-NVXWUHKLSA-N 1 1 349.431 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)CC2)C1 ZINC001046029941 766695640 /nfs/dbraw/zinc/69/56/40/766695640.db2.gz GJMVBSZJLFXDBI-DLBZAZTESA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4c[nH]nc43)CC2)C1 ZINC001046029941 766695644 /nfs/dbraw/zinc/69/56/44/766695644.db2.gz GJMVBSZJLFXDBI-DLBZAZTESA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4c[nH]nc43)CC2)C1 ZINC001046029941 766695647 /nfs/dbraw/zinc/69/56/47/766695647.db2.gz GJMVBSZJLFXDBI-DLBZAZTESA-N 1 1 341.459 0.681 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(Cl)cnn3C)CC2)C1 ZINC001046030663 766698631 /nfs/dbraw/zinc/69/86/31/766698631.db2.gz XIVXQHVVENFBCL-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ncccn2)C1 ZINC001016670373 766698711 /nfs/dbraw/zinc/69/87/11/766698711.db2.gz MIKLJZVGWUDEAM-NRXISQOPSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ncccn2)C1 ZINC001016670373 766698712 /nfs/dbraw/zinc/69/87/12/766698712.db2.gz MIKLJZVGWUDEAM-NRXISQOPSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cocn2)C1 ZINC001016670993 766700150 /nfs/dbraw/zinc/70/01/50/766700150.db2.gz YJLFDBPSUZXHJI-PIMMBPRGSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cocn2)C1 ZINC001016670993 766700153 /nfs/dbraw/zinc/70/01/53/766700153.db2.gz YJLFDBPSUZXHJI-PIMMBPRGSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(F)cn2)C1 ZINC000994750947 766704422 /nfs/dbraw/zinc/70/44/22/766704422.db2.gz JAISNTQGVKDVLL-HNNXBMFYSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(F)cn2)C1 ZINC000994750947 766704430 /nfs/dbraw/zinc/70/44/30/766704430.db2.gz JAISNTQGVKDVLL-HNNXBMFYSA-N 1 1 330.363 0.259 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC001046032463 766705946 /nfs/dbraw/zinc/70/59/46/766705946.db2.gz DDLFCIFYAFEMEG-QGZVFWFLSA-N 1 1 329.448 0.814 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@H]12 ZINC000992496310 766709797 /nfs/dbraw/zinc/70/97/97/766709797.db2.gz SXPYKYZSSSFIMG-SCLBCKFNSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC001046036109 766723521 /nfs/dbraw/zinc/72/35/21/766723521.db2.gz ADCXNNNIWIGINL-OAHLLOKOSA-N 1 1 343.431 0.131 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc4n3CCC4)CC2)C1 ZINC001046036210 766725642 /nfs/dbraw/zinc/72/56/42/766725642.db2.gz CUYOOSQAVYERMO-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)C1 ZINC001046036721 766728620 /nfs/dbraw/zinc/72/86/20/766728620.db2.gz NZCVCHRLRBTXCL-VQIMIIECSA-N 1 1 348.491 0.697 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC001046039287 766742698 /nfs/dbraw/zinc/74/26/98/766742698.db2.gz OXQRAKMSFWLRCK-CQSZACIVSA-N 1 1 329.404 0.038 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnccc3OC)CC2)C1 ZINC001046039425 766742771 /nfs/dbraw/zinc/74/27/71/766742771.db2.gz XYDOEAYAYSUJBN-QGZVFWFLSA-N 1 1 342.443 0.484 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OCC)n[nH]3)CC2)C1 ZINC001046039803 766744004 /nfs/dbraw/zinc/74/40/04/766744004.db2.gz YIJKKMJVRKKLGW-HNNXBMFYSA-N 1 1 345.447 0.664 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC001046040732 766749515 /nfs/dbraw/zinc/74/95/15/766749515.db2.gz HZUBLEJYPVRDQO-KRWDZBQOSA-N 1 1 344.459 0.794 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4nccn4C3)CC2)C1 ZINC001046040760 766749846 /nfs/dbraw/zinc/74/98/46/766749846.db2.gz KPMXJSHOSUGCLL-SJORKVTESA-N 1 1 343.475 0.850 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(Cl)n3C)CC2)C1 ZINC001046043274 766760248 /nfs/dbraw/zinc/76/02/48/766760248.db2.gz ADJVGIIGXLUAJC-ZDUSSCGKSA-N 1 1 335.839 0.539 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC001046043640 766762657 /nfs/dbraw/zinc/76/26/57/766762657.db2.gz CADQIEBMKUPQMD-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC001046044645 766767769 /nfs/dbraw/zinc/76/77/69/766767769.db2.gz NNBIUSAEOPZAMC-QGZVFWFLSA-N 1 1 343.475 0.513 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cncc3C)CC2)C1 ZINC001046044530 766767830 /nfs/dbraw/zinc/76/78/30/766767830.db2.gz YFGPSWZEVNUNEB-KRWDZBQOSA-N 1 1 331.464 0.986 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)C1 ZINC001046049896 766783929 /nfs/dbraw/zinc/78/39/29/766783929.db2.gz ZLPIRXPQKCQGMG-QGZVFWFLSA-N 1 1 345.491 0.984 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001046049912 766783948 /nfs/dbraw/zinc/78/39/48/766783948.db2.gz ZZVDWVMVLFUOHC-HOTGVXAUSA-N 1 1 348.491 0.648 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cn(CC(=O)N(C)C)nn3)CCC[C@H]12 ZINC000992531243 766793860 /nfs/dbraw/zinc/79/38/60/766793860.db2.gz UUEVZVTYRVYOMK-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)cnn3C)CC2)C1 ZINC001046052548 766795186 /nfs/dbraw/zinc/79/51/86/766795186.db2.gz FPBIOTXBYOYFAE-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(c4cccnc4)CC3)CC2)C1 ZINC001046055633 766806262 /nfs/dbraw/zinc/80/62/62/766806262.db2.gz GWJWTBDYYOOTKJ-GOSISDBHSA-N 1 1 338.455 0.965 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)c[nH]1 ZINC001053778923 766817365 /nfs/dbraw/zinc/81/73/65/766817365.db2.gz KOUKITHLOKTTJX-SWLSCSKDSA-N 1 1 330.388 0.496 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046060227 766827219 /nfs/dbraw/zinc/82/72/19/766827219.db2.gz XWMOXTDXOZBCCI-HOTGVXAUSA-N 1 1 334.464 0.450 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001042000553 782580162 /nfs/dbraw/zinc/58/01/62/782580162.db2.gz NPTIVWRIKPEQNJ-XJKSGUPXSA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001042000553 782580166 /nfs/dbraw/zinc/58/01/66/782580166.db2.gz NPTIVWRIKPEQNJ-XJKSGUPXSA-N 1 1 339.403 0.751 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccc(C)n3)CC2)C1 ZINC001046062289 766833651 /nfs/dbraw/zinc/83/36/51/766833651.db2.gz DCLSZNHHNUCYRS-QGZVFWFLSA-N 1 1 331.464 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Oc3cccnc3)CC2)C1 ZINC001046062530 766835405 /nfs/dbraw/zinc/83/54/05/766835405.db2.gz WBVIPEOIVUAPMA-DLBZAZTESA-N 1 1 342.443 0.701 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1 ZINC001046066929 766856837 /nfs/dbraw/zinc/85/68/37/766856837.db2.gz KHHOTMJLZZSXCM-OKZBNKHCSA-N 1 1 343.475 0.928 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC001046067285 766859805 /nfs/dbraw/zinc/85/98/05/766859805.db2.gz WLCDBAJJYZOAQP-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(C4CC4)nc3)CC2)C1 ZINC001046068172 766860755 /nfs/dbraw/zinc/86/07/55/766860755.db2.gz FZNYNJCWFVBHIG-KRWDZBQOSA-N 1 1 339.443 0.819 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC001046068152 766861492 /nfs/dbraw/zinc/86/14/92/766861492.db2.gz FPGSHQPIZRCIFE-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(CCOC)nn1)CO2 ZINC001053797390 766871788 /nfs/dbraw/zinc/87/17/88/766871788.db2.gz ZGVJBFYMKWFMQZ-CQSZACIVSA-N 1 1 349.435 0.464 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCN([C@@H]3CC[N@H+](CC)C3)CC2)nn1 ZINC001046070632 766875699 /nfs/dbraw/zinc/87/56/99/766875699.db2.gz XYAJAEWOBOVXLD-OAHLLOKOSA-N 1 1 332.452 0.706 20 30 ECEDMO Cc1nc(NC[C@H](O)CN(C)C(=O)CSCC#N)c(C)c(C)[nH+]1 ZINC001124111027 766876553 /nfs/dbraw/zinc/87/65/53/766876553.db2.gz BFPNYMWPPJAYDO-ZDUSSCGKSA-N 1 1 337.449 0.890 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nnn(C(C)C)c3C)CC2)C1 ZINC001046074612 766891211 /nfs/dbraw/zinc/89/12/11/766891211.db2.gz CEPDPFWRUICCCV-MRXNPFEDSA-N 1 1 344.463 0.633 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)nc1 ZINC001046076111 766900789 /nfs/dbraw/zinc/90/07/89/766900789.db2.gz CQVKGQDLEPTPIW-KRWDZBQOSA-N 1 1 342.443 0.277 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC001046079705 766914230 /nfs/dbraw/zinc/91/42/30/766914230.db2.gz ZUXWJBMRKYCBFP-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC001046080277 766916358 /nfs/dbraw/zinc/91/63/58/766916358.db2.gz DXZXLGWDPGIZFL-HNNXBMFYSA-N 1 1 347.463 0.837 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC001046081022 766917850 /nfs/dbraw/zinc/91/78/50/766917850.db2.gz UCDUMXCWIVEIIH-OAHLLOKOSA-N 1 1 340.431 0.518 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)C1 ZINC001046082666 766921846 /nfs/dbraw/zinc/92/18/46/766921846.db2.gz VEGRKWYHAMGIKN-SFHVURJKSA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccnc3C)CC2)C1 ZINC001046084204 766924283 /nfs/dbraw/zinc/92/42/83/766924283.db2.gz MTYXTMXNGNEWFX-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)cc(=O)[nH]c3C)CC2)C1 ZINC001046085199 766926382 /nfs/dbraw/zinc/92/63/82/766926382.db2.gz DYURTYXMGIRYNX-INIZCTEOSA-N 1 1 342.443 0.869 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(COC)s3)CC2)C1 ZINC001046090500 766932380 /nfs/dbraw/zinc/93/23/80/766932380.db2.gz WUNSJWCYOXZCKU-CQSZACIVSA-N 1 1 348.472 0.755 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC)C1)CO2 ZINC001053820632 766934589 /nfs/dbraw/zinc/93/45/89/766934589.db2.gz HPPHWMFSQFEUET-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CO2 ZINC001053827040 766953976 /nfs/dbraw/zinc/95/39/76/766953976.db2.gz QEBMVFUWQRIYEM-DOTOQJQBSA-N 1 1 349.475 0.775 20 30 ECEDMO C#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CO2 ZINC001053829602 766961394 /nfs/dbraw/zinc/96/13/94/766961394.db2.gz GYYDAFQEUHLVAF-RDJZCZTQSA-N 1 1 331.460 0.986 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3n[nH]nc3c1)CO2 ZINC001053830911 766964590 /nfs/dbraw/zinc/96/45/90/766964590.db2.gz OZRRKXAYKJLHAX-ZDUSSCGKSA-N 1 1 342.403 0.892 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnn(C)c3)C2)C1=O ZINC001046135729 766968727 /nfs/dbraw/zinc/96/87/27/766968727.db2.gz VWMMHBOXOFIPJV-RHSMWYFYSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnn(C)c3)C2)C1=O ZINC001046135729 766968730 /nfs/dbraw/zinc/96/87/30/766968730.db2.gz VWMMHBOXOFIPJV-RHSMWYFYSA-N 1 1 331.420 0.401 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(=O)n(C)cn1)CO2 ZINC001053835869 766977564 /nfs/dbraw/zinc/97/75/64/766977564.db2.gz AFAZMBLUZBQXJR-CYBMUJFWSA-N 1 1 332.404 0.320 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ncc(CC)o2)C1 ZINC001031740961 766987882 /nfs/dbraw/zinc/98/78/82/766987882.db2.gz OSKBQAWBICIPBN-INIZCTEOSA-N 1 1 330.432 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ncc(CC)o2)C1 ZINC001031740961 766987891 /nfs/dbraw/zinc/98/78/91/766987891.db2.gz OSKBQAWBICIPBN-INIZCTEOSA-N 1 1 330.432 0.883 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)c1 ZINC001083765329 766995541 /nfs/dbraw/zinc/99/55/41/766995541.db2.gz YWFCNHSLBBMKBX-NXHRZFHOSA-N 1 1 343.427 0.655 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cncnc3C)C2)C1=O ZINC001046168290 767007122 /nfs/dbraw/zinc/00/71/22/767007122.db2.gz JYZBEMWIRUIAAJ-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cncnc3C)C2)C1=O ZINC001046168290 767007133 /nfs/dbraw/zinc/00/71/33/767007133.db2.gz JYZBEMWIRUIAAJ-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCn3ccnc3C1)CO2 ZINC001053852657 767024666 /nfs/dbraw/zinc/02/46/66/767024666.db2.gz OJGVKYGDVRMTID-GJZGRUSLSA-N 1 1 330.432 0.981 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn3cccnc3n1)CO2 ZINC001053857823 767044284 /nfs/dbraw/zinc/04/42/84/767044284.db2.gz PFXLUNJPVAKYOA-ZDUSSCGKSA-N 1 1 327.388 0.879 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)CO2 ZINC001053858321 767045794 /nfs/dbraw/zinc/04/57/94/767045794.db2.gz DDVHVAKSIBDSAG-CYBMUJFWSA-N 1 1 332.404 0.273 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001016859069 767047687 /nfs/dbraw/zinc/04/76/87/767047687.db2.gz KKRHYADMIANBBU-CABCVRRESA-N 1 1 338.473 0.805 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001042015537 782602089 /nfs/dbraw/zinc/60/20/89/782602089.db2.gz JBBKPPMHYBFITB-IUODEOHRSA-N 1 1 329.404 0.511 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001078279985 782607827 /nfs/dbraw/zinc/60/78/27/782607827.db2.gz JKTRCZWGDXEJMI-BHUNQDJPSA-N 1 1 337.464 0.809 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001046230439 767098116 /nfs/dbraw/zinc/09/81/16/767098116.db2.gz ICKNIIFZCDVGTQ-KBXCAEBGSA-N 1 1 344.415 0.768 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046247644 767106901 /nfs/dbraw/zinc/10/69/01/767106901.db2.gz HMMJZSRSDJAVRG-MJGOQNOKSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ocnc2C)C1 ZINC000938756523 767107096 /nfs/dbraw/zinc/10/70/96/767107096.db2.gz QRTZRFNKBCQWPS-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ocnc2C)C1 ZINC000938756523 767107097 /nfs/dbraw/zinc/10/70/97/767107097.db2.gz QRTZRFNKBCQWPS-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046248618 767108304 /nfs/dbraw/zinc/10/83/04/767108304.db2.gz QWCZJDWLDLXPLY-PKOBYXMFSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046248618 767108306 /nfs/dbraw/zinc/10/83/06/767108306.db2.gz QWCZJDWLDLXPLY-PKOBYXMFSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046289242 767129776 /nfs/dbraw/zinc/12/97/76/767129776.db2.gz SXRBDRRWJODEER-WMLDXEAASA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046289242 767129777 /nfs/dbraw/zinc/12/97/77/767129777.db2.gz SXRBDRRWJODEER-WMLDXEAASA-N 1 1 346.362 0.886 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001089730411 767134012 /nfs/dbraw/zinc/13/40/12/767134012.db2.gz ZWWKRLVQUHBJNF-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001046298685 767134425 /nfs/dbraw/zinc/13/44/25/767134425.db2.gz QKWSSCJGYVXBSU-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001046298685 767134426 /nfs/dbraw/zinc/13/44/26/767134426.db2.gz QKWSSCJGYVXBSU-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)C1 ZINC001046307314 767138751 /nfs/dbraw/zinc/13/87/51/767138751.db2.gz RSCFEBIJEHMRMA-SFHVURJKSA-N 1 1 347.459 0.518 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001127604530 767140171 /nfs/dbraw/zinc/14/01/71/767140171.db2.gz GCFWPYGOGZOXDQ-OLZOCXBDSA-N 1 1 325.388 0.435 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001046312193 767141215 /nfs/dbraw/zinc/14/12/15/767141215.db2.gz SAARNXBFFAINQG-SUMWQHHRSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001046312193 767141217 /nfs/dbraw/zinc/14/12/17/767141217.db2.gz SAARNXBFFAINQG-SUMWQHHRSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046320979 767146192 /nfs/dbraw/zinc/14/61/92/767146192.db2.gz MPRNDNJPXNHQBN-SUMWQHHRSA-N 1 1 329.404 0.367 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cncn1 ZINC001089764630 767147897 /nfs/dbraw/zinc/14/78/97/767147897.db2.gz QYMDWOGUUZZKBC-YVSFHVDLSA-N 1 1 327.432 0.860 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001046329125 767152037 /nfs/dbraw/zinc/15/20/37/767152037.db2.gz HHXICTRJMJLOOX-UKPHBRMFSA-N 1 1 343.431 0.321 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001046329125 767152038 /nfs/dbraw/zinc/15/20/38/767152038.db2.gz HHXICTRJMJLOOX-UKPHBRMFSA-N 1 1 343.431 0.321 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077565362 767155552 /nfs/dbraw/zinc/15/55/52/767155552.db2.gz FJXQJXYIBBWWLO-MGPQQGTHSA-N 1 1 331.844 0.009 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077565362 767155554 /nfs/dbraw/zinc/15/55/54/767155554.db2.gz FJXQJXYIBBWWLO-MGPQQGTHSA-N 1 1 331.844 0.009 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001046374757 767178820 /nfs/dbraw/zinc/17/88/20/767178820.db2.gz RNFLYVDCKHDHFM-KBXCAEBGSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001046374757 767178822 /nfs/dbraw/zinc/17/88/22/767178822.db2.gz RNFLYVDCKHDHFM-KBXCAEBGSA-N 1 1 344.415 0.674 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001046375900 767179686 /nfs/dbraw/zinc/17/96/86/767179686.db2.gz QCVFJRREESDPKM-KRWDZBQOSA-N 1 1 327.388 0.891 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C)c1C ZINC001089790504 767184175 /nfs/dbraw/zinc/18/41/75/767184175.db2.gz SDUGMACUXIRUIG-JJXSEGSLSA-N 1 1 327.432 0.929 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccncc2)[C@H](OC)C1 ZINC001212311649 767199865 /nfs/dbraw/zinc/19/98/65/767199865.db2.gz TYCLPQHUBWKKBO-HZPDHXFCSA-N 1 1 346.431 0.593 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2nnc[nH]2)C1 ZINC001089791698 767200635 /nfs/dbraw/zinc/20/06/35/767200635.db2.gz JYGASUCRHHRTQN-VGWMRTNUSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2nc[nH]n2)C1 ZINC001089791698 767200636 /nfs/dbraw/zinc/20/06/36/767200636.db2.gz JYGASUCRHHRTQN-VGWMRTNUSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2nc[nH]n2)C1 ZINC001089791698 767200637 /nfs/dbraw/zinc/20/06/37/767200637.db2.gz JYGASUCRHHRTQN-VGWMRTNUSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001212316443 767207239 /nfs/dbraw/zinc/20/72/39/767207239.db2.gz PTUOTHQXLRCRIQ-QJPTWQEYSA-N 1 1 349.353 0.282 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001212316443 767207240 /nfs/dbraw/zinc/20/72/40/767207240.db2.gz PTUOTHQXLRCRIQ-QJPTWQEYSA-N 1 1 349.353 0.282 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046424233 767210893 /nfs/dbraw/zinc/21/08/93/767210893.db2.gz ANZPMSOCNHWDBB-AWEZNQCLSA-N 1 1 327.406 0.697 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(C#N)c1 ZINC001089795924 767220507 /nfs/dbraw/zinc/22/05/07/767220507.db2.gz QYHYRODVIGUQAM-KSYCFECVSA-N 1 1 341.415 0.415 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2ccnn2)C1 ZINC001089798113 767222449 /nfs/dbraw/zinc/22/24/49/767222449.db2.gz RIWYTWIOFSGMRN-QAETUUGQSA-N 1 1 327.432 0.860 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001078284101 782612183 /nfs/dbraw/zinc/61/21/83/782612183.db2.gz ZFUBLXOOZCEGOP-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO Cn1cnnc1C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089807496 767235735 /nfs/dbraw/zinc/23/57/35/767235735.db2.gz ZTTGRQWHGBKMCH-NXOAAHMSSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1cnnc1C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089807496 767235738 /nfs/dbraw/zinc/23/57/38/767235738.db2.gz ZTTGRQWHGBKMCH-NXOAAHMSSA-N 1 1 339.443 0.897 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCC(=O)NC3)C2)s1 ZINC001031805044 767246389 /nfs/dbraw/zinc/24/63/89/767246389.db2.gz RNBNHHFBOBEFKL-LBPRGKRZSA-N 1 1 332.429 0.694 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001046505497 767267531 /nfs/dbraw/zinc/26/75/31/767267531.db2.gz HUZZZJCOVIIZMS-AOIWGVFYSA-N 1 1 349.475 0.470 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046529741 767281490 /nfs/dbraw/zinc/28/14/90/767281490.db2.gz RURFQCSMAFCDON-MJBXVCDLSA-N 1 1 328.420 0.561 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001046531667 767283133 /nfs/dbraw/zinc/28/31/33/767283133.db2.gz SXONCOAMJFLGMW-UHFFFAOYSA-N 1 1 343.427 0.313 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncnn1 ZINC001089818219 767292805 /nfs/dbraw/zinc/29/28/05/767292805.db2.gz WWLYATDHQUIOFW-DGAVXFQQSA-N 1 1 336.827 0.594 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053904555 767312492 /nfs/dbraw/zinc/31/24/92/767312492.db2.gz PPRFAUADBOUCHM-JKSUJKDBSA-N 1 1 335.448 0.078 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053904555 767312494 /nfs/dbraw/zinc/31/24/94/767312494.db2.gz PPRFAUADBOUCHM-JKSUJKDBSA-N 1 1 335.448 0.078 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC001089826798 767341394 /nfs/dbraw/zinc/34/13/94/767341394.db2.gz LDQKOIGXJRIVHM-JONQDZQNSA-N 1 1 345.447 0.327 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001106147825 767352972 /nfs/dbraw/zinc/35/29/72/767352972.db2.gz YMIQRMPPUQUWFW-ZIAGYGMSSA-N 1 1 332.408 0.112 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001046604689 767356795 /nfs/dbraw/zinc/35/67/95/767356795.db2.gz MOWFCAYEDSUYRI-YJBOKZPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001046604689 767356801 /nfs/dbraw/zinc/35/68/01/767356801.db2.gz MOWFCAYEDSUYRI-YJBOKZPZSA-N 1 1 326.400 0.488 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001106146457 767367175 /nfs/dbraw/zinc/36/71/75/767367175.db2.gz AAFHPFADIVELCE-KGLIPLIRSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)ncc1C ZINC001106155164 767393038 /nfs/dbraw/zinc/39/30/38/767393038.db2.gz VVKDBFWLWZIQSN-CABCVRRESA-N 1 1 331.420 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)ncc1C ZINC001106155164 767393042 /nfs/dbraw/zinc/39/30/42/767393042.db2.gz VVKDBFWLWZIQSN-CABCVRRESA-N 1 1 331.420 0.080 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC001089832356 767395897 /nfs/dbraw/zinc/39/58/97/767395897.db2.gz USXHMWURAZKQAK-NXOAAHMSSA-N 1 1 344.459 0.594 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001106157223 767416784 /nfs/dbraw/zinc/41/67/84/767416784.db2.gz BHFRHSCMVYUNNI-HUUCEWRRSA-N 1 1 346.435 0.420 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106157344 767420174 /nfs/dbraw/zinc/42/01/74/767420174.db2.gz CUKGRUCQRPHOJU-UONOGXRCSA-N 1 1 349.410 0.856 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC000939795330 767423297 /nfs/dbraw/zinc/42/32/97/767423297.db2.gz HBARMOZHGYRYER-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC000939795330 767423300 /nfs/dbraw/zinc/42/33/00/767423300.db2.gz HBARMOZHGYRYER-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC[C@H](C)C1)CO2 ZINC001053948811 767430725 /nfs/dbraw/zinc/43/07/25/767430725.db2.gz RJIIDKLTUQIEGN-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CCN(CC(=O)NC)CC3)CC1 ZINC001016984618 767439146 /nfs/dbraw/zinc/43/91/46/767439146.db2.gz GGLBUCOOMBTVQE-MRXNPFEDSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC)C2)cc1 ZINC001046680068 767467397 /nfs/dbraw/zinc/46/73/97/767467397.db2.gz WNODSAYYQTVKDT-SFHVURJKSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC)C2)cc1 ZINC001046680068 767467401 /nfs/dbraw/zinc/46/74/01/767467401.db2.gz WNODSAYYQTVKDT-SFHVURJKSA-N 1 1 329.400 0.639 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3ncccn3n1)CO2 ZINC001053963318 767469904 /nfs/dbraw/zinc/46/99/04/767469904.db2.gz KXNVEBULORCXFF-ZDUSSCGKSA-N 1 1 327.388 0.879 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)C1=O ZINC001017051659 767519542 /nfs/dbraw/zinc/51/95/42/767519542.db2.gz GUHZEGAJGRELOG-GOEBONIOSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001017051659 767519547 /nfs/dbraw/zinc/51/95/47/767519547.db2.gz GUHZEGAJGRELOG-GOEBONIOSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001017051659 767519553 /nfs/dbraw/zinc/51/95/53/767519553.db2.gz GUHZEGAJGRELOG-GOEBONIOSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccn3c(=O)[nH]nc13)CO2 ZINC001053980635 767520964 /nfs/dbraw/zinc/52/09/64/767520964.db2.gz ALIDGEAALXKOKS-GFCCVEGCSA-N 1 1 343.387 0.584 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(=O)NC)nc1)CO2 ZINC001053985363 767534256 /nfs/dbraw/zinc/53/42/56/767534256.db2.gz OMNXUBXKWCZBOJ-CQSZACIVSA-N 1 1 344.415 0.590 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccn(C)c1=O)CO2 ZINC001053985597 767535931 /nfs/dbraw/zinc/53/59/31/767535931.db2.gz UNLTUMOLVSTQHT-CQSZACIVSA-N 1 1 331.416 0.925 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCN(C(C)=O)C1)CO2 ZINC001053994763 767551392 /nfs/dbraw/zinc/55/13/92/767551392.db2.gz LSMYSWQJRPHCSK-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC(=O)N1C)CO2 ZINC001053997725 767558142 /nfs/dbraw/zinc/55/81/42/767558142.db2.gz VPXAEZZWNZGWCO-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccnn2CCC)C1 ZINC000992793720 767593673 /nfs/dbraw/zinc/59/36/73/767593673.db2.gz AOYIWGGVQLENSV-INIZCTEOSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccnn2CCC)C1 ZINC000992793720 767593678 /nfs/dbraw/zinc/59/36/78/767593678.db2.gz AOYIWGGVQLENSV-INIZCTEOSA-N 1 1 343.431 0.331 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001046757495 767599008 /nfs/dbraw/zinc/59/90/08/767599008.db2.gz HSOBEXGRXHZEHT-KRWDZBQOSA-N 1 1 331.420 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nocc3C)C2)C1=O ZINC001046760101 767603047 /nfs/dbraw/zinc/60/30/47/767603047.db2.gz NAGCEUSWJQBNFA-CXAGYDPISA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3nocc3C)C2)C1=O ZINC001046760101 767603049 /nfs/dbraw/zinc/60/30/49/767603049.db2.gz NAGCEUSWJQBNFA-CXAGYDPISA-N 1 1 332.404 0.964 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1COCCN1C ZINC001054037244 767636148 /nfs/dbraw/zinc/63/61/48/767636148.db2.gz BSSDNSGXRIALPP-RBUKOAKNSA-N 1 1 341.455 0.883 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001054050665 767649889 /nfs/dbraw/zinc/64/98/89/767649889.db2.gz IVWDWSLIWVEBJP-HZPDHXFCSA-N 1 1 326.400 0.234 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001054050665 767649892 /nfs/dbraw/zinc/64/98/92/767649892.db2.gz IVWDWSLIWVEBJP-HZPDHXFCSA-N 1 1 326.400 0.234 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001054099222 767686822 /nfs/dbraw/zinc/68/68/22/767686822.db2.gz CSQAAXJIYLGEMQ-DYVFJYSZSA-N 1 1 347.419 0.012 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001060476529 767690648 /nfs/dbraw/zinc/69/06/48/767690648.db2.gz XSWVRXSZQDDWNX-XMSFWSCYSA-N 1 1 325.416 0.702 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001054112011 767701935 /nfs/dbraw/zinc/70/19/35/767701935.db2.gz HEYWJTQYYXGILS-SFHVURJKSA-N 1 1 343.431 0.903 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)C#CC2CC2)C3)C1=O ZINC001054131016 767725963 /nfs/dbraw/zinc/72/59/63/767725963.db2.gz CNRMUHNBIXZKMS-VQIMIIECSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCOCC1=O)C2 ZINC001054147013 767742228 /nfs/dbraw/zinc/74/22/28/767742228.db2.gz XMVFAVDTOPFZIU-SFHVURJKSA-N 1 1 335.448 0.736 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001054175229 767774045 /nfs/dbraw/zinc/77/40/45/767774045.db2.gz KBIADOKTMLDUSI-SFHVURJKSA-N 1 1 334.464 0.309 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054188323 767788787 /nfs/dbraw/zinc/78/87/87/767788787.db2.gz LWRUXSFYKKREBZ-GOSISDBHSA-N 1 1 344.390 0.997 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054188323 767788789 /nfs/dbraw/zinc/78/87/89/767788789.db2.gz LWRUXSFYKKREBZ-GOSISDBHSA-N 1 1 344.390 0.997 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(=O)NC)C2)C1 ZINC001054201068 767797929 /nfs/dbraw/zinc/79/79/29/767797929.db2.gz SDUKARFVNAXNHR-RVKKMQEKSA-N 1 1 335.448 0.638 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001054214159 767811392 /nfs/dbraw/zinc/81/13/92/767811392.db2.gz SAUJPRGVTJKUCV-SFHVURJKSA-N 1 1 331.416 0.377 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cnccc1=O)C2 ZINC001054222158 767828457 /nfs/dbraw/zinc/82/84/57/767828457.db2.gz UKYIAILPBUVUFH-IBGZPJMESA-N 1 1 342.443 0.971 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1nc(C)ccc1=O)C2 ZINC001054231772 767841184 /nfs/dbraw/zinc/84/11/84/767841184.db2.gz ZSUPQOMTYQTHTE-LJQANCHMSA-N 1 1 342.443 0.890 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001054234566 767843123 /nfs/dbraw/zinc/84/31/23/767843123.db2.gz GDKQKEMISWGVLW-IEBWSBKVSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001054234804 767843180 /nfs/dbraw/zinc/84/31/80/767843180.db2.gz KMPKHRNIOYQNHE-GOSISDBHSA-N 1 1 347.463 0.781 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001054234567 767843645 /nfs/dbraw/zinc/84/36/45/767843645.db2.gz GDKQKEMISWGVLW-MJGOQNOKSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001054234607 767843766 /nfs/dbraw/zinc/84/37/66/767843766.db2.gz HBVGECSKEKIDPT-GOSISDBHSA-N 1 1 345.447 0.228 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)C1 ZINC001054935014 768442865 /nfs/dbraw/zinc/44/28/65/768442865.db2.gz ASMGBTYVQHLNLK-UGUYLWEFSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)C1 ZINC001054935014 768442872 /nfs/dbraw/zinc/44/28/72/768442872.db2.gz ASMGBTYVQHLNLK-UGUYLWEFSA-N 1 1 341.415 0.510 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(C)(=O)=O)C1 ZINC001111634746 768484408 /nfs/dbraw/zinc/48/44/08/768484408.db2.gz HWXVEXKDWIINFX-ZFWWWQNUSA-N 1 1 330.450 0.204 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(C)(=O)=O)C1 ZINC001111634746 768484411 /nfs/dbraw/zinc/48/44/11/768484411.db2.gz HWXVEXKDWIINFX-ZFWWWQNUSA-N 1 1 330.450 0.204 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1ncnc2nc[nH]c21 ZINC001106627320 768527115 /nfs/dbraw/zinc/52/71/15/768527115.db2.gz AUVZGEWGZBBMFZ-OLZOCXBDSA-N 1 1 341.419 0.709 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1ncnc2nc[nH]c21 ZINC001106627320 768527120 /nfs/dbraw/zinc/52/71/20/768527120.db2.gz AUVZGEWGZBBMFZ-OLZOCXBDSA-N 1 1 341.419 0.709 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001055272725 768729173 /nfs/dbraw/zinc/72/91/73/768729173.db2.gz FIDKQDNSUQDQFS-GASCZTMLSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001055291055 768744615 /nfs/dbraw/zinc/74/46/15/768744615.db2.gz ISFDAGYYKJOTQG-GASCZTMLSA-N 1 1 343.431 0.759 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001055313206 768768579 /nfs/dbraw/zinc/76/85/79/768768579.db2.gz GRKQJUICHBPYKQ-GGXPGOJBSA-N 1 1 349.475 0.715 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055332018 768788225 /nfs/dbraw/zinc/78/82/25/768788225.db2.gz IQISSJGYMYSLIH-WCXIOVBPSA-N 1 1 331.460 0.903 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993343802 768815151 /nfs/dbraw/zinc/81/51/51/768815151.db2.gz CGGZSHKQUYUBNS-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]21 ZINC001042062184 782699245 /nfs/dbraw/zinc/69/92/45/782699245.db2.gz KIQRWVVLRJWGSR-GJZGRUSLSA-N 1 1 345.443 0.718 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001055384950 768843467 /nfs/dbraw/zinc/84/34/67/768843467.db2.gz IEZGKGQRMCPCNC-WCXIOVBPSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001055384950 768843480 /nfs/dbraw/zinc/84/34/80/768843480.db2.gz IEZGKGQRMCPCNC-WCXIOVBPSA-N 1 1 349.475 0.979 20 30 ECEDMO CCN(CCNc1ccc(C#N)cn1)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001106772988 768912720 /nfs/dbraw/zinc/91/27/20/768912720.db2.gz DIBHTAXAOQKZDT-HNNXBMFYSA-N 1 1 331.420 0.934 20 30 ECEDMO CCN(CCNc1ccc(C#N)cn1)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001106772988 768912724 /nfs/dbraw/zinc/91/27/24/768912724.db2.gz DIBHTAXAOQKZDT-HNNXBMFYSA-N 1 1 331.420 0.934 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2ccco2)CC1 ZINC001055501944 768954592 /nfs/dbraw/zinc/95/45/92/768954592.db2.gz OXLYCUXPBWSPJD-AWEZNQCLSA-N 1 1 347.415 0.628 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2cnsn2)CC1 ZINC001055531572 769026970 /nfs/dbraw/zinc/02/69/70/769026970.db2.gz KDUHQZUEYSDDFJ-UHFFFAOYSA-N 1 1 347.444 0.262 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2C#N)C3)C1 ZINC001055535292 769040986 /nfs/dbraw/zinc/04/09/86/769040986.db2.gz VGJBSCPEHPYHGB-DEYYWGMASA-N 1 1 340.431 0.775 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nc(C2CC2)nn1C ZINC001018292908 769046082 /nfs/dbraw/zinc/04/60/82/769046082.db2.gz NMEICPPFBDFPQE-GASCZTMLSA-N 1 1 327.432 0.934 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001018309181 769074801 /nfs/dbraw/zinc/07/48/01/769074801.db2.gz YWVJERUDIADNNS-OKILXGFUSA-N 1 1 346.435 0.231 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001018309181 769074810 /nfs/dbraw/zinc/07/48/10/769074810.db2.gz YWVJERUDIADNNS-OKILXGFUSA-N 1 1 346.435 0.231 20 30 ECEDMO C[C@H](C[C@H](C)Nc1ccc(C#N)nn1)NC(=O)CC[NH+]1CCOCC1 ZINC001089355005 769089445 /nfs/dbraw/zinc/08/94/45/769089445.db2.gz NRPNBSSHBQOTPB-UONOGXRCSA-N 1 1 346.435 0.766 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)CCc2nc[nH]n2)CC1 ZINC001055556091 769106058 /nfs/dbraw/zinc/10/60/58/769106058.db2.gz FVRAVPBFSDGRCC-UHFFFAOYSA-N 1 1 348.451 0.400 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)CC1 ZINC001018360242 769192176 /nfs/dbraw/zinc/19/21/76/769192176.db2.gz VMHGRPFBLKSYFM-OAHLLOKOSA-N 1 1 345.447 0.982 20 30 ECEDMO CC(C)[N@H+](C)CC(=O)NCCN1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055589217 769192401 /nfs/dbraw/zinc/19/24/01/769192401.db2.gz CKFLHMLFJQUUNL-CQSZACIVSA-N 1 1 337.468 0.183 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NCCN1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055589217 769192408 /nfs/dbraw/zinc/19/24/08/769192408.db2.gz CKFLHMLFJQUUNL-CQSZACIVSA-N 1 1 337.468 0.183 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H]1C ZINC000993510269 769194826 /nfs/dbraw/zinc/19/48/26/769194826.db2.gz UGSHDVWWTIVDHR-HIFRSBDPSA-N 1 1 328.416 0.715 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cncn2C)CC1 ZINC001055598515 769223608 /nfs/dbraw/zinc/22/36/08/769223608.db2.gz UYQHYIKBIRUPRJ-UHFFFAOYSA-N 1 1 345.447 0.390 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042084055 782733926 /nfs/dbraw/zinc/73/39/26/782733926.db2.gz NAAYPEZLFLTMRA-VNHYZAJKSA-N 1 1 328.420 0.631 20 30 ECEDMO CC#CCCCC(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055619711 769269584 /nfs/dbraw/zinc/26/95/84/769269584.db2.gz AETPZAGQFRUVJJ-UHFFFAOYSA-N 1 1 346.435 0.309 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055620295 769271721 /nfs/dbraw/zinc/27/17/21/769271721.db2.gz PCGJDTXTHUNOBF-CYBMUJFWSA-N 1 1 348.451 0.717 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@@]2(F)CCOC2)CC1 ZINC001055621686 769274184 /nfs/dbraw/zinc/27/41/84/769274184.db2.gz HBZVMHFQIOSUAB-QGZVFWFLSA-N 1 1 341.427 0.778 20 30 ECEDMO Cc1nc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)cs1 ZINC001055621844 769274293 /nfs/dbraw/zinc/27/42/93/769274293.db2.gz MESKPQASTOHQFO-NSHDSACASA-N 1 1 349.460 0.922 20 30 ECEDMO C=CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001018391083 769274718 /nfs/dbraw/zinc/27/47/18/769274718.db2.gz BUFCRDCKYDFRLQ-SJORKVTESA-N 1 1 348.491 0.507 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622545 769280141 /nfs/dbraw/zinc/28/01/41/769280141.db2.gz OPIURPSEOROSOW-ZDUSSCGKSA-N 1 1 349.435 0.982 20 30 ECEDMO COc1cc(C(=O)NC2CC[NH+](CCNC(=O)[C@H](C)C#N)CC2)on1 ZINC001055629425 769295304 /nfs/dbraw/zinc/29/53/04/769295304.db2.gz AAJHGTWYIDVWAN-LLVKDONJSA-N 1 1 349.391 0.153 20 30 ECEDMO Cc1cc(C(=O)NC2CC[NH+](CCNC(=O)[C@@H](C)C#N)CC2)on1 ZINC001055629892 769298581 /nfs/dbraw/zinc/29/85/81/769298581.db2.gz NDWSGFMBGUXZBS-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO CCC[N@H+](C)CC(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055631291 769301172 /nfs/dbraw/zinc/30/11/72/769301172.db2.gz FQVCQUMTEAGNIG-AWEZNQCLSA-N 1 1 337.468 0.185 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055631291 769301185 /nfs/dbraw/zinc/30/11/85/769301185.db2.gz FQVCQUMTEAGNIG-AWEZNQCLSA-N 1 1 337.468 0.185 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000993559706 769317046 /nfs/dbraw/zinc/31/70/46/769317046.db2.gz CDKXAYLWGIJAOX-MNOVXSKESA-N 1 1 327.406 0.696 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[NH+]1CCC(NC(C)=O)CC1 ZINC001055648641 769340956 /nfs/dbraw/zinc/34/09/56/769340956.db2.gz HMLXMINPJWAKLK-UHFFFAOYSA-N 1 1 346.431 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC000993619654 769371180 /nfs/dbraw/zinc/37/11/80/769371180.db2.gz GZTMLHVLMFDPOP-OCCSQVGLSA-N 1 1 325.376 0.273 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC000993619654 769371193 /nfs/dbraw/zinc/37/11/93/769371193.db2.gz GZTMLHVLMFDPOP-OCCSQVGLSA-N 1 1 325.376 0.273 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H]1C ZINC000993624991 769437294 /nfs/dbraw/zinc/43/72/94/769437294.db2.gz RUAFUGGABFIDHI-ZFWWWQNUSA-N 1 1 339.403 0.663 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@H]1C ZINC000993703754 769537454 /nfs/dbraw/zinc/53/74/54/769537454.db2.gz NXEGPRAIGVRHAL-TZMCWYRMSA-N 1 1 326.404 0.969 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)[C@H]2C)c1 ZINC000993768701 769588273 /nfs/dbraw/zinc/58/82/73/769588273.db2.gz FPEBCXRUBRZKIL-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)[C@H]2C)c1 ZINC000993768701 769588283 /nfs/dbraw/zinc/58/82/83/769588283.db2.gz FPEBCXRUBRZKIL-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001078357789 782766154 /nfs/dbraw/zinc/76/61/54/782766154.db2.gz BRFZKRPYHAXAFE-WCQYABFASA-N 1 1 332.408 0.549 20 30 ECEDMO CC(C)n1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078358310 782767550 /nfs/dbraw/zinc/76/75/50/782767550.db2.gz NROWDEVQQVKZMY-KGLIPLIRSA-N 1 1 334.424 0.726 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001042103079 782772051 /nfs/dbraw/zinc/77/20/51/782772051.db2.gz AHBGVCUDMSDWIU-AWEZNQCLSA-N 1 1 335.448 0.517 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)c1 ZINC001018683346 769756342 /nfs/dbraw/zinc/75/63/42/769756342.db2.gz ZVFLGWUQYMLJHA-NSHDSACASA-N 1 1 326.364 0.212 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnc4n3CCCC4)C2)[nH]1 ZINC001018731108 769820826 /nfs/dbraw/zinc/82/08/26/769820826.db2.gz MWPYOEPNIWQDKK-ZDUSSCGKSA-N 1 1 339.403 0.818 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001055823700 769858366 /nfs/dbraw/zinc/85/83/66/769858366.db2.gz IHZLBIQFKBYYBA-CRAIPNDOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001055824008 769859525 /nfs/dbraw/zinc/85/95/25/769859525.db2.gz NJDATCHKANNYQK-KRWDZBQOSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)C[C@H]21 ZINC001042107637 782784918 /nfs/dbraw/zinc/78/49/18/782784918.db2.gz BYVRHPWOPVYNLQ-LSDHHAIUSA-N 1 1 338.415 0.992 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)[C@@H]2C)nn1 ZINC000993955788 769887482 /nfs/dbraw/zinc/88/74/82/769887482.db2.gz XIWUJJQBASUQQN-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)nn1 ZINC000993955788 769887496 /nfs/dbraw/zinc/88/74/96/769887496.db2.gz XIWUJJQBASUQQN-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001055837026 769917220 /nfs/dbraw/zinc/91/72/20/769917220.db2.gz IXQXLQJWEUDQBN-QFBILLFUSA-N 1 1 349.475 0.744 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC000993980827 769956159 /nfs/dbraw/zinc/95/61/59/769956159.db2.gz CBNSKFLDRGBHEP-CABCVRRESA-N 1 1 348.451 0.724 20 30 ECEDMO C[C@@H](C[C@H](C)Nc1cnc(C#N)cn1)NC(=O)CC[NH+]1CCOCC1 ZINC001089356459 769956249 /nfs/dbraw/zinc/95/62/49/769956249.db2.gz XRTKZDFVZGNBSG-KBPBESRZSA-N 1 1 346.435 0.766 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)CC[N@H+]1C ZINC000994087031 770115940 /nfs/dbraw/zinc/11/59/40/770115940.db2.gz CMAWKIUHZZGVDB-MUIFIZLQSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@H]1C ZINC000994089084 770117550 /nfs/dbraw/zinc/11/75/50/770117550.db2.gz DNPURKWTQWLTLX-OCCSQVGLSA-N 1 1 332.404 0.731 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001055910429 770179217 /nfs/dbraw/zinc/17/92/17/770179217.db2.gz OHGLTIIMHPQLCW-LPHOPBHVSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000994200329 770291257 /nfs/dbraw/zinc/29/12/57/770291257.db2.gz KIBBCEABNCQMPT-HIFRSBDPSA-N 1 1 330.432 0.812 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@](CO)(NC(=O)C#CC3CC3)C2)C1 ZINC001055939302 770294376 /nfs/dbraw/zinc/29/43/76/770294376.db2.gz WPQNCDKGSMMGBX-BEFAXECRSA-N 1 1 347.459 0.211 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC000994211651 770315644 /nfs/dbraw/zinc/31/56/44/770315644.db2.gz ODNXQFSOFILBBT-VXGBXAGGSA-N 1 1 328.376 0.024 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001106859163 770345586 /nfs/dbraw/zinc/34/55/86/770345586.db2.gz OZHNASGKLNYHHR-CABCVRRESA-N 1 1 342.447 0.905 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]2(CO)CCCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001055953951 770350009 /nfs/dbraw/zinc/35/00/09/770350009.db2.gz LWDXJDNWYJMMKN-HNAYVOBHSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055954484 770353161 /nfs/dbraw/zinc/35/31/61/770353161.db2.gz TZLCKNWBZCZMIX-QAPCUYQASA-N 1 1 335.448 0.211 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000994232186 770360789 /nfs/dbraw/zinc/36/07/89/770360789.db2.gz GWJQNJBTWQXLMK-YNEHKIRRSA-N 1 1 347.419 0.720 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nn(CC)nc3C)C2)nn1 ZINC001098797583 770425138 /nfs/dbraw/zinc/42/51/38/770425138.db2.gz RDGQIVORKMYOPB-CQSZACIVSA-N 1 1 344.423 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2noc(C(C)C)n2)C1 ZINC001018985953 770484488 /nfs/dbraw/zinc/48/44/88/770484488.db2.gz NOSSURXKYRZQPM-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2noc(C(C)C)n2)C1 ZINC001018985953 770484491 /nfs/dbraw/zinc/48/44/91/770484491.db2.gz NOSSURXKYRZQPM-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 ZINC001056031458 770614885 /nfs/dbraw/zinc/61/48/85/770614885.db2.gz AAGBMEIQPTZKDL-PBHICJAKSA-N 1 1 338.452 0.348 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)c2ccc(C#N)[nH]2)C3)C1 ZINC001019037803 770623561 /nfs/dbraw/zinc/62/35/61/770623561.db2.gz BMSIFLQEVWERCD-CYBMUJFWSA-N 1 1 341.415 0.513 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC001019041695 770644347 /nfs/dbraw/zinc/64/43/47/770644347.db2.gz GSJUVZZSGVSBTO-UHFFFAOYSA-N 1 1 326.400 0.666 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@H]21 ZINC001042151933 782858075 /nfs/dbraw/zinc/85/80/75/782858075.db2.gz BNDOEIJREFWDPQ-DZGCQCFKSA-N 1 1 329.400 0.943 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC(C)(C)C1 ZINC001089365449 770727628 /nfs/dbraw/zinc/72/76/28/770727628.db2.gz SJGJCPYJHSUUOC-YPMHNXCESA-N 1 1 331.420 0.981 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H](O)C(C)C ZINC001212219097 770799810 /nfs/dbraw/zinc/79/98/10/770799810.db2.gz YMTLLIRTTUKRHL-BRWVUGGUSA-N 1 1 331.416 0.891 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H](O)C(C)C ZINC001212219097 770799812 /nfs/dbraw/zinc/79/98/12/770799812.db2.gz YMTLLIRTTUKRHL-BRWVUGGUSA-N 1 1 331.416 0.891 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 ZINC001056095651 770812244 /nfs/dbraw/zinc/81/22/44/770812244.db2.gz CQIINYGUJYYWTM-SUMWQHHRSA-N 1 1 338.452 0.346 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)C[C@@H]21 ZINC001042159911 782872412 /nfs/dbraw/zinc/87/24/12/782872412.db2.gz IAEWIDUPMBTVCX-PBHICJAKSA-N 1 1 336.399 0.832 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@@H]21 ZINC001042161693 782874058 /nfs/dbraw/zinc/87/40/58/782874058.db2.gz CKLRYPYYFMNADP-GJZGRUSLSA-N 1 1 333.436 0.471 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001056124237 770880965 /nfs/dbraw/zinc/88/09/65/770880965.db2.gz KWZUOIZPBCANOB-LPHOPBHVSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC13CC3)C2 ZINC001019145087 770920169 /nfs/dbraw/zinc/92/01/69/770920169.db2.gz ZPJJIQMOYREEQU-CVEARBPZSA-N 1 1 341.455 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC13CC3)C2 ZINC001019145087 770920173 /nfs/dbraw/zinc/92/01/73/770920173.db2.gz ZPJJIQMOYREEQU-CVEARBPZSA-N 1 1 341.455 0.945 20 30 ECEDMO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)ccc1C#N ZINC001056229546 771022601 /nfs/dbraw/zinc/02/26/01/771022601.db2.gz YDROFDFJMJCBSR-AIANPOQGSA-N 1 1 325.416 0.764 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001056234028 771026684 /nfs/dbraw/zinc/02/66/84/771026684.db2.gz ZBWSZRNFBPCCCK-QSJFSLAZSA-N 1 1 341.415 0.225 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001056234028 771026691 /nfs/dbraw/zinc/02/66/91/771026691.db2.gz ZBWSZRNFBPCCCK-QSJFSLAZSA-N 1 1 341.415 0.225 20 30 ECEDMO O=C(C#CC1CC1)N1CCC2(CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)C1 ZINC001019243094 771050565 /nfs/dbraw/zinc/05/05/65/771050565.db2.gz DEEZEVXUXXWJTK-FQEVSTJZSA-N 1 1 341.455 0.947 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(C[C@H]3C[C@]34CCOC4)C2)CC1 ZINC001031434777 771068829 /nfs/dbraw/zinc/06/88/29/771068829.db2.gz DYKDUHXBEQZASR-APWZRJJASA-N 1 1 331.460 0.559 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(C[C@@H]3CCO[C@H](C)C3)C2)CC1 ZINC001031434958 771069585 /nfs/dbraw/zinc/06/95/85/771069585.db2.gz LEBDVUFVDISWTM-HZPDHXFCSA-N 1 1 333.476 0.947 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001056313495 771109765 /nfs/dbraw/zinc/10/97/65/771109765.db2.gz BKUAYPMOXQTBKS-OAGGEKHMSA-N 1 1 335.448 0.875 20 30 ECEDMO N#CCSCC(=O)NCC[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC001123791978 771131118 /nfs/dbraw/zinc/13/11/18/771131118.db2.gz CAKSENFJCRERBL-UHFFFAOYSA-N 1 1 334.449 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnc(C)cn3)C2)C1=O ZINC001031525399 771226856 /nfs/dbraw/zinc/22/68/56/771226856.db2.gz HNAIVNISYVBYHE-OAHLLOKOSA-N 1 1 329.404 0.234 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001056402886 771229609 /nfs/dbraw/zinc/22/96/09/771229609.db2.gz SVGHIBNTZGMKKH-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC001056460982 771295350 /nfs/dbraw/zinc/29/53/50/771295350.db2.gz QWKXJDVUPZQDOH-QXSJWSMHSA-N 1 1 325.416 0.988 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCOCCNc1ccc(C#N)nn1 ZINC001127471849 771299552 /nfs/dbraw/zinc/29/95/52/771299552.db2.gz AASWPPABGYTNJK-UKRRQHHQSA-N 1 1 346.435 0.433 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCOCCNc1ccncc1C#N ZINC001127472605 771300993 /nfs/dbraw/zinc/30/09/93/771300993.db2.gz QPEYGPHTZLVDGD-GDBMZVCRSA-N 1 1 345.447 0.460 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncc(C)cn3)C2)nn1 ZINC001019482202 771345867 /nfs/dbraw/zinc/34/58/67/771345867.db2.gz KQNYDGCLTMJNKT-ZDUSSCGKSA-N 1 1 327.392 0.567 20 30 ECEDMO CN1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001031594268 771362718 /nfs/dbraw/zinc/36/27/18/771362718.db2.gz XRJBUQBIMBLEOI-QGZVFWFLSA-N 1 1 328.416 0.437 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001031594214 771365911 /nfs/dbraw/zinc/36/59/11/771365911.db2.gz BIKHUXCNVREAAX-HNNXBMFYSA-N 1 1 334.445 0.498 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001031594214 771365917 /nfs/dbraw/zinc/36/59/17/771365917.db2.gz BIKHUXCNVREAAX-HNNXBMFYSA-N 1 1 334.445 0.498 20 30 ECEDMO Cn1ncc(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1 ZINC001019511643 771387351 /nfs/dbraw/zinc/38/73/51/771387351.db2.gz ZSVMHPUGLURPRO-AWEZNQCLSA-N 1 1 328.351 0.830 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC(C)(C)C1 ZINC001089541808 771426846 /nfs/dbraw/zinc/42/68/46/771426846.db2.gz OAKUPNNOWXNGJK-NSHDSACASA-N 1 1 348.403 0.750 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561186 771494137 /nfs/dbraw/zinc/49/41/37/771494137.db2.gz NVJGHDMKZTZAGX-OLZOCXBDSA-N 1 1 329.466 0.471 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089562052 771498854 /nfs/dbraw/zinc/49/88/54/771498854.db2.gz WFCWOVCYUHAOJK-KBPBESRZSA-N 1 1 341.477 0.308 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001056675132 771500717 /nfs/dbraw/zinc/50/07/17/771500717.db2.gz VSQKFHQDCJJOOW-YYIAUSFCSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC(C)(C)C1 ZINC001089565257 771512810 /nfs/dbraw/zinc/51/28/10/771512810.db2.gz QIAYFLZMWSZKHU-CYBMUJFWSA-N 1 1 348.451 0.560 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2CCC2)CCCO1 ZINC001019611393 771592822 /nfs/dbraw/zinc/59/28/22/771592822.db2.gz HWNZHRZDDKXIGE-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2CCC2)CCCO1 ZINC001019611393 771592827 /nfs/dbraw/zinc/59/28/27/771592827.db2.gz HWNZHRZDDKXIGE-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC1CCCC1 ZINC001056841224 771710211 /nfs/dbraw/zinc/71/02/11/771710211.db2.gz OWOVRMOSWSXWMZ-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC1CCCC1 ZINC001056841224 771710212 /nfs/dbraw/zinc/71/02/12/771710212.db2.gz OWOVRMOSWSXWMZ-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO CN(c1ncccc1C#N)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001056879328 771755784 /nfs/dbraw/zinc/75/57/84/771755784.db2.gz AORDUIAYNSXUFD-HUUCEWRRSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ncccc1C#N)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001056879328 771755789 /nfs/dbraw/zinc/75/57/89/771755789.db2.gz AORDUIAYNSXUFD-HUUCEWRRSA-N 1 1 329.404 0.321 20 30 ECEDMO Cc1ccc(C#N)c(N(C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056879849 771757068 /nfs/dbraw/zinc/75/70/68/771757068.db2.gz NWPCVTAHIRUGGU-JKSUJKDBSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1ccc(C#N)c(N(C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056879849 771757069 /nfs/dbraw/zinc/75/70/69/771757069.db2.gz NWPCVTAHIRUGGU-JKSUJKDBSA-N 1 1 343.431 0.629 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2nccnc2F)C1 ZINC001057060448 772014213 /nfs/dbraw/zinc/01/42/13/772014213.db2.gz KWTPNTXBYARMPN-KGLIPLIRSA-N 1 1 331.395 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2nccnc2F)C1 ZINC001057060448 772014219 /nfs/dbraw/zinc/01/42/19/772014219.db2.gz KWTPNTXBYARMPN-KGLIPLIRSA-N 1 1 331.395 0.750 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001057144391 772161074 /nfs/dbraw/zinc/16/10/74/772161074.db2.gz PURLMGOTAHKMEH-HNNXBMFYSA-N 1 1 343.468 0.247 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001057171013 772211757 /nfs/dbraw/zinc/21/17/57/772211757.db2.gz KMAUHCRWLSOKAU-OAHLLOKOSA-N 1 1 325.453 0.763 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnn(C)n3)C2)C1 ZINC001078464564 782995712 /nfs/dbraw/zinc/99/57/12/782995712.db2.gz ANRXXKJBXLHMGU-OAHLLOKOSA-N 1 1 333.436 0.879 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@H](C[NH2+][C@@H](C)c3nnnn3C)C2)C1 ZINC001078465239 782996629 /nfs/dbraw/zinc/99/66/29/782996629.db2.gz SQPPMBJFAHVIES-UONOGXRCSA-N 1 1 348.451 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2nccnc2F)CC1 ZINC001057252674 772347480 /nfs/dbraw/zinc/34/74/80/772347480.db2.gz GYUGFMODZRFZRQ-AWEZNQCLSA-N 1 1 331.395 0.752 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2nccnc2F)CC1 ZINC001057252674 772347485 /nfs/dbraw/zinc/34/74/85/772347485.db2.gz GYUGFMODZRFZRQ-AWEZNQCLSA-N 1 1 331.395 0.752 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(c3ncccc3C#N)CC2)O1 ZINC001057255244 772351351 /nfs/dbraw/zinc/35/13/51/772351351.db2.gz ZFSNBYKFWPQUFW-GDBMZVCRSA-N 1 1 343.431 0.711 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(c3ncccc3C#N)CC2)O1 ZINC001057255244 772351356 /nfs/dbraw/zinc/35/13/56/772351356.db2.gz ZFSNBYKFWPQUFW-GDBMZVCRSA-N 1 1 343.431 0.711 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]21 ZINC001042267249 783010551 /nfs/dbraw/zinc/01/05/51/783010551.db2.gz WMZJVFDTLVPXGV-ZFWWWQNUSA-N 1 1 339.399 0.995 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC001020302798 772417937 /nfs/dbraw/zinc/41/79/37/772417937.db2.gz SRCOCCSXCJVHSH-VGWMRTNUSA-N 1 1 334.464 0.494 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccc(C#N)nc3)CC2)C1 ZINC001057303452 772433540 /nfs/dbraw/zinc/43/35/40/772433540.db2.gz WREJYRBMXXFARV-MRXNPFEDSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccc(C#N)nc3)CC2)C1 ZINC001057303452 772433543 /nfs/dbraw/zinc/43/35/43/772433543.db2.gz WREJYRBMXXFARV-MRXNPFEDSA-N 1 1 329.404 0.687 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057334914 772480627 /nfs/dbraw/zinc/48/06/27/772480627.db2.gz IUGPJPZYRMKGML-UHFFFAOYSA-N 1 1 325.376 0.378 20 30 ECEDMO C[N@@H+](CC(=O)NCCN(CCO)C(=O)C#CC1CC1)CC(C)(C)C ZINC001057536040 772731281 /nfs/dbraw/zinc/73/12/81/772731281.db2.gz JVBSOYRQDSTCFE-UHFFFAOYSA-N 1 1 337.464 0.315 20 30 ECEDMO C[N@@H+](CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C)C1CCC1 ZINC001057540239 772735776 /nfs/dbraw/zinc/73/57/76/772735776.db2.gz MCMIRBAJUBQMSS-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057541566 772738117 /nfs/dbraw/zinc/73/81/17/772738117.db2.gz ZSHKSTYQFPEQGG-UHFFFAOYSA-N 1 1 334.420 0.178 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057600565 772797598 /nfs/dbraw/zinc/79/75/98/772797598.db2.gz CNBOGNZSGGSVEO-OCCSQVGLSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057600565 772797602 /nfs/dbraw/zinc/79/76/02/772797602.db2.gz CNBOGNZSGGSVEO-OCCSQVGLSA-N 1 1 330.392 0.082 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001057601039 772798389 /nfs/dbraw/zinc/79/83/89/772798389.db2.gz ACXRSGKQQYGGRM-UHFFFAOYSA-N 1 1 336.436 0.731 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001057601417 772799086 /nfs/dbraw/zinc/79/90/86/772799086.db2.gz MVVPPHQGOVGRKB-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057635741 772842360 /nfs/dbraw/zinc/84/23/60/772842360.db2.gz IIERMWKLRWQEBQ-LSDHHAIUSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CCCC1(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001057636740 772844264 /nfs/dbraw/zinc/84/42/64/772844264.db2.gz XWIHCGZAPXFBPS-OAHLLOKOSA-N 1 1 337.464 0.622 20 30 ECEDMO N#Cc1cnc(N[C@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001057668126 772891352 /nfs/dbraw/zinc/89/13/52/772891352.db2.gz PRPOQZOWZVRHEG-AWEZNQCLSA-N 1 1 344.419 0.473 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001057743885 772959109 /nfs/dbraw/zinc/95/91/09/772959109.db2.gz OEZWUABGIABFAL-LSDHHAIUSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001057774021 772975110 /nfs/dbraw/zinc/97/51/10/772975110.db2.gz BJTLLVTVZKDXIX-VHDGCEQUSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001057774021 772975114 /nfs/dbraw/zinc/97/51/14/772975114.db2.gz BJTLLVTVZKDXIX-VHDGCEQUSA-N 1 1 344.419 0.470 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057791615 772987424 /nfs/dbraw/zinc/98/74/24/772987424.db2.gz ZRISHMWDIFXCSB-AWEZNQCLSA-N 1 1 328.420 0.633 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001057806916 773006564 /nfs/dbraw/zinc/00/65/64/773006564.db2.gz WRYGHNUWWYNJJX-LSDHHAIUSA-N 1 1 325.453 0.478 20 30 ECEDMO Cc1nc(N2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)ccc1C#N ZINC001057845565 773064078 /nfs/dbraw/zinc/06/40/78/773064078.db2.gz MYIKQUYSECGLIM-INIZCTEOSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1nc(N2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)ccc1C#N ZINC001057845565 773064081 /nfs/dbraw/zinc/06/40/81/773064081.db2.gz MYIKQUYSECGLIM-INIZCTEOSA-N 1 1 343.431 0.677 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001076833824 783068487 /nfs/dbraw/zinc/06/84/87/783068487.db2.gz TYLBQLWDDFQZEO-HOTGVXAUSA-N 1 1 349.475 0.769 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057885295 773130290 /nfs/dbraw/zinc/13/02/90/773130290.db2.gz OBGQHRNLIYRKGM-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057885052 773130505 /nfs/dbraw/zinc/13/05/05/773130505.db2.gz AFYXQLCCUGAKSF-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCCOCC(=O)NCCN(CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001057903710 773165533 /nfs/dbraw/zinc/16/55/33/773165533.db2.gz UOUVABQVABMIGW-UHFFFAOYSA-N 1 1 341.452 0.001 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001057945851 773245650 /nfs/dbraw/zinc/24/56/50/773245650.db2.gz JNRIMPXUGJWWOG-TZMCWYRMSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C=C(\C)C1CC1 ZINC001057961234 773291209 /nfs/dbraw/zinc/29/12/09/773291209.db2.gz NRJXYLINACGWRE-ZWKQNVPVSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C=C(\C)C1CC1 ZINC001057961234 773291211 /nfs/dbraw/zinc/29/12/11/773291211.db2.gz NRJXYLINACGWRE-ZWKQNVPVSA-N 1 1 347.459 0.377 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040614023 783103015 /nfs/dbraw/zinc/10/30/15/783103015.db2.gz UKQYIRCCFQGIFD-SFHVURJKSA-N 1 1 346.431 0.465 20 30 ECEDMO C#CCCCCCC(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058113170 773559105 /nfs/dbraw/zinc/55/91/05/773559105.db2.gz YYLWONFGANZJLK-UHFFFAOYSA-N 1 1 348.447 0.712 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058167589 773684216 /nfs/dbraw/zinc/68/42/16/773684216.db2.gz GXNPNZTYMKBPRS-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058167589 773684219 /nfs/dbraw/zinc/68/42/19/773684219.db2.gz GXNPNZTYMKBPRS-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(c2nc(C)cc(C#N)n2)C1 ZINC001058212048 773782324 /nfs/dbraw/zinc/78/23/24/773782324.db2.gz YHLHMNFHPVVTAU-CQSZACIVSA-N 1 1 339.403 0.947 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058287914 773923068 /nfs/dbraw/zinc/92/30/68/773923068.db2.gz IWOHXPAMRUGJFK-HNNXBMFYSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040630535 783136888 /nfs/dbraw/zinc/13/68/88/783136888.db2.gz VAWFJYMBXYIMQC-QAPCUYQASA-N 1 1 348.447 0.873 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058317129 773962007 /nfs/dbraw/zinc/96/20/07/773962007.db2.gz PBRQSLCBOIIYLT-TZMCWYRMSA-N 1 1 333.367 0.118 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058317129 773962010 /nfs/dbraw/zinc/96/20/10/773962010.db2.gz PBRQSLCBOIIYLT-TZMCWYRMSA-N 1 1 333.367 0.118 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040636295 783147887 /nfs/dbraw/zinc/14/78/87/783147887.db2.gz QIBADPRJYFFWOC-KSSFIOAISA-N 1 1 348.447 0.873 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040637431 783151053 /nfs/dbraw/zinc/15/10/53/783151053.db2.gz YFIUVKHKQUZYGI-RDTXWAMCSA-N 1 1 348.447 0.873 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001058435693 774175748 /nfs/dbraw/zinc/17/57/48/774175748.db2.gz PCAALFKUAJBLEQ-LSDHHAIUSA-N 1 1 327.469 0.724 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001058438005 774179418 /nfs/dbraw/zinc/17/94/18/774179418.db2.gz NPMWQXURUYGQTH-HUUCEWRRSA-N 1 1 327.469 0.722 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001058463887 774233798 /nfs/dbraw/zinc/23/37/98/774233798.db2.gz JPIKHPCEZRIIQB-OAHLLOKOSA-N 1 1 327.469 0.868 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058582889 774475682 /nfs/dbraw/zinc/47/56/82/774475682.db2.gz UTZIXOMSUUTNKK-ZIAGYGMSSA-N 1 1 328.420 0.918 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 ZINC001058582843 774475705 /nfs/dbraw/zinc/47/57/05/774475705.db2.gz SVOFJTHKSYCLEI-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 ZINC001045103489 774983458 /nfs/dbraw/zinc/98/34/58/774983458.db2.gz XCDGJMLUQHUNRI-INIZCTEOSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070023534 790360386 /nfs/dbraw/zinc/36/03/86/790360386.db2.gz XDFXOPXMDOZNBJ-OLZOCXBDSA-N 1 1 349.345 0.617 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070023534 790360400 /nfs/dbraw/zinc/36/04/00/790360400.db2.gz XDFXOPXMDOZNBJ-OLZOCXBDSA-N 1 1 349.345 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)CC)O2 ZINC001068482175 790366326 /nfs/dbraw/zinc/36/63/26/790366326.db2.gz LOFPGEGJSGSXKS-GJZGRUSLSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)CC)O2 ZINC001068482175 790366335 /nfs/dbraw/zinc/36/63/35/790366335.db2.gz LOFPGEGJSGSXKS-GJZGRUSLSA-N 1 1 333.432 0.370 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001045397032 775534797 /nfs/dbraw/zinc/53/47/97/775534797.db2.gz LFGAZVTVVLBORD-CQSZACIVSA-N 1 1 346.431 0.410 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2ccnc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070025966 790371468 /nfs/dbraw/zinc/37/14/68/790371468.db2.gz UUXSVXBNZMIZLC-CABCVRRESA-N 1 1 342.403 0.452 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2ccnc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070025966 790371477 /nfs/dbraw/zinc/37/14/77/790371477.db2.gz UUXSVXBNZMIZLC-CABCVRRESA-N 1 1 342.403 0.452 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001045462201 775645182 /nfs/dbraw/zinc/64/51/82/775645182.db2.gz AFWKWEPZGJEUJN-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070027764 790376686 /nfs/dbraw/zinc/37/66/86/790376686.db2.gz ZKXSPROIISCZJF-CVEARBPZSA-N 1 1 343.435 0.791 20 30 ECEDMO CC(C)c1[nH+]ccn1CCC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001045551796 775779791 /nfs/dbraw/zinc/77/97/91/775779791.db2.gz MFWTZKYXJJZOAE-ZDUSSCGKSA-N 1 1 347.419 0.246 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H]3CCNC(=O)CC3)C2)cn1 ZINC001044206011 775917369 /nfs/dbraw/zinc/91/73/69/775917369.db2.gz RKXSMFLKMORKRP-CQSZACIVSA-N 1 1 340.427 0.735 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001068497204 790409900 /nfs/dbraw/zinc/40/99/00/790409900.db2.gz OJNMMHWYQHNAFU-UMVBOHGHSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001068497204 790409908 /nfs/dbraw/zinc/40/99/08/790409908.db2.gz OJNMMHWYQHNAFU-UMVBOHGHSA-N 1 1 344.419 0.376 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001044293917 776077259 /nfs/dbraw/zinc/07/72/59/776077259.db2.gz CPWMNNUEZUEFFH-LSDHHAIUSA-N 1 1 339.480 0.866 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CCOCC1 ZINC001045734661 776108786 /nfs/dbraw/zinc/10/87/86/776108786.db2.gz GGVRZWNCIYTMJI-BMFZPTHFSA-N 1 1 348.447 0.507 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CCOCC1 ZINC001045734661 776108792 /nfs/dbraw/zinc/10/87/92/776108792.db2.gz GGVRZWNCIYTMJI-BMFZPTHFSA-N 1 1 348.447 0.507 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCC2)[nH]1 ZINC001045756462 776145909 /nfs/dbraw/zinc/14/59/09/776145909.db2.gz DUFGMHWZGQHTBZ-CABCVRRESA-N 1 1 341.415 0.798 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070039818 790419442 /nfs/dbraw/zinc/41/94/42/790419442.db2.gz WMPDXMNBKRWSFV-CABCVRRESA-N 1 1 340.387 0.366 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CN(C[C@@H]3C[C@@]34CCOC4)C2)CC1 ZINC001044335556 776178194 /nfs/dbraw/zinc/17/81/94/776178194.db2.gz JPTKSAQLZDZOMI-FXAWDEMLSA-N 1 1 345.487 0.901 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001044464441 776324844 /nfs/dbraw/zinc/32/48/44/776324844.db2.gz OSBUDEDSKNBAJM-KBPBESRZSA-N 1 1 337.464 0.618 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001044479009 776340874 /nfs/dbraw/zinc/34/08/74/776340874.db2.gz QLKNXPVZLPSWIE-GJZGRUSLSA-N 1 1 349.475 0.905 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001044484093 776346108 /nfs/dbraw/zinc/34/61/08/776346108.db2.gz IGSQXKLCJXUFQN-UHFFFAOYSA-N 1 1 346.431 0.465 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001044484282 776346616 /nfs/dbraw/zinc/34/66/16/776346616.db2.gz KRNUVXPLODLYHI-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001044484548 776347629 /nfs/dbraw/zinc/34/76/29/776347629.db2.gz NYWVHFNVNJKUDS-CVEARBPZSA-N 1 1 349.475 0.457 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)C1 ZINC001044505711 776369988 /nfs/dbraw/zinc/36/99/88/776369988.db2.gz QJAHREFYAGWQCB-CVEARBPZSA-N 1 1 343.431 0.351 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O ZINC001044537993 776408433 /nfs/dbraw/zinc/40/84/33/776408433.db2.gz GZYBUWVLOBIPOT-GLQYFDAESA-N 1 1 347.394 0.242 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cccnn32)[C@@H](n2ccnn2)C1 ZINC001070047810 790446618 /nfs/dbraw/zinc/44/66/18/790446618.db2.gz KXRNPTLEGYHGKB-OCCSQVGLSA-N 1 1 338.375 0.162 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc3cccnn32)[C@@H](n2ccnn2)C1 ZINC001070047810 790446623 /nfs/dbraw/zinc/44/66/23/790446623.db2.gz KXRNPTLEGYHGKB-OCCSQVGLSA-N 1 1 338.375 0.162 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccnn3C)C2)C1=O ZINC001079639714 776584607 /nfs/dbraw/zinc/58/46/07/776584607.db2.gz PXFMZCGHBDPAPW-BMFZPTHFSA-N 1 1 345.447 0.186 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001079641510 776587392 /nfs/dbraw/zinc/58/73/92/776587392.db2.gz MXOAUNRTKRXWKG-BPLDGKMQSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001079641510 776587401 /nfs/dbraw/zinc/58/74/01/776587401.db2.gz MXOAUNRTKRXWKG-BPLDGKMQSA-N 1 1 343.431 0.622 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055893 790467543 /nfs/dbraw/zinc/46/75/43/790467543.db2.gz WODDORDQJQWADM-KGLIPLIRSA-N 1 1 327.392 0.297 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055893 790467549 /nfs/dbraw/zinc/46/75/49/790467549.db2.gz WODDORDQJQWADM-KGLIPLIRSA-N 1 1 327.392 0.297 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001079678948 776671884 /nfs/dbraw/zinc/67/18/84/776671884.db2.gz LRNGEAFICJKBBI-DAXOMENPSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001079678948 776671886 /nfs/dbraw/zinc/67/18/86/776671886.db2.gz LRNGEAFICJKBBI-DAXOMENPSA-N 1 1 343.431 0.622 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079702348 776724582 /nfs/dbraw/zinc/72/45/82/776724582.db2.gz DNXKFXQAROEQBO-IUODEOHRSA-N 1 1 325.376 0.181 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001079744307 776789084 /nfs/dbraw/zinc/78/90/84/776789084.db2.gz AVAGGJMGWRWEJL-MRXNPFEDSA-N 1 1 349.475 0.816 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001079744307 776789093 /nfs/dbraw/zinc/78/90/93/776789093.db2.gz AVAGGJMGWRWEJL-MRXNPFEDSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079773667 776841947 /nfs/dbraw/zinc/84/19/47/776841947.db2.gz UHLHECFSISYDHR-DOTOQJQBSA-N 1 1 349.475 0.957 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001079799817 776895285 /nfs/dbraw/zinc/89/52/85/776895285.db2.gz GPKOKYFAKULSLU-BZUAXINKSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCOCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079804152 776902389 /nfs/dbraw/zinc/90/23/89/776902389.db2.gz VRCOXMQBVSFFAB-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001079983015 777191007 /nfs/dbraw/zinc/19/10/07/777191007.db2.gz OVBPSYHBNWDZCL-ZDUSSCGKSA-N 1 1 334.420 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C)OCC=C)C1 ZINC001079983025 777191064 /nfs/dbraw/zinc/19/10/64/777191064.db2.gz PCLDSCQORTZVCI-RDJZCZTQSA-N 1 1 347.459 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C)OCC=C)C1 ZINC001079983025 777191073 /nfs/dbraw/zinc/19/10/73/777191073.db2.gz PCLDSCQORTZVCI-RDJZCZTQSA-N 1 1 347.459 0.734 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001080012560 777227934 /nfs/dbraw/zinc/22/79/34/777227934.db2.gz FVUKNXKRUHGWJS-INIZCTEOSA-N 1 1 349.475 0.960 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(CC)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001080191666 777528659 /nfs/dbraw/zinc/52/86/59/777528659.db2.gz VGKADKXJFCYWSW-UHFFFAOYSA-N 1 1 331.420 0.901 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2CC)[C@@H](n2ccnn2)C1 ZINC001070085721 790554409 /nfs/dbraw/zinc/55/44/09/790554409.db2.gz ORMJMJBHQYKGFA-KGLIPLIRSA-N 1 1 327.392 0.242 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2CC)[C@@H](n2ccnn2)C1 ZINC001070085721 790554411 /nfs/dbraw/zinc/55/44/11/790554411.db2.gz ORMJMJBHQYKGFA-KGLIPLIRSA-N 1 1 327.392 0.242 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1Nc1ncccc1C#N ZINC001043105182 777734821 /nfs/dbraw/zinc/73/48/21/777734821.db2.gz YKSRFLSDZODTRB-BPLDGKMQSA-N 1 1 329.404 0.543 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1Nc1ncccc1C#N ZINC001043105182 777734825 /nfs/dbraw/zinc/73/48/25/777734825.db2.gz YKSRFLSDZODTRB-BPLDGKMQSA-N 1 1 329.404 0.543 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001043118536 777762530 /nfs/dbraw/zinc/76/25/30/777762530.db2.gz ZMMQWUSAWZPUPQ-CQSZACIVSA-N 1 1 335.448 0.374 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043187614 777912445 /nfs/dbraw/zinc/91/24/45/777912445.db2.gz LPXYDYWNWKSXNT-OAHLLOKOSA-N 1 1 335.448 0.396 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043219499 777986684 /nfs/dbraw/zinc/98/66/84/777986684.db2.gz MPAAMUMTKWLASX-KFWWJZLASA-N 1 1 342.447 0.903 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C1CN(C(=O)CSCC#N)C1 ZINC001080558397 778027972 /nfs/dbraw/zinc/02/79/72/778027972.db2.gz SIHVIAXLVXJESS-GXTWGEPZSA-N 1 1 338.477 0.500 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CCC1 ZINC001043262492 778063567 /nfs/dbraw/zinc/06/35/67/778063567.db2.gz DLCIRHFFANZKEI-HUUCEWRRSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2C)cc1 ZINC001080575462 778072110 /nfs/dbraw/zinc/07/21/10/778072110.db2.gz XWZYILGVUXAALQ-KBRIMQKVSA-N 1 1 341.411 0.637 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2C)cc1 ZINC001080575462 778072120 /nfs/dbraw/zinc/07/21/20/778072120.db2.gz XWZYILGVUXAALQ-KBRIMQKVSA-N 1 1 341.411 0.637 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CCC1 ZINC001043347837 778199900 /nfs/dbraw/zinc/19/99/00/778199900.db2.gz AFLCWAUKMDXFKX-HUUCEWRRSA-N 1 1 347.459 0.067 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001070107353 790624975 /nfs/dbraw/zinc/62/49/75/790624975.db2.gz BIZLBDQJNATZBC-OAHLLOKOSA-N 1 1 335.448 0.522 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)C[N@@H+](C)C2CCC2)CCOCC1 ZINC001070108510 790630131 /nfs/dbraw/zinc/63/01/31/790630131.db2.gz FNSUVGFVKITKPJ-UHFFFAOYSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nccc(OC)n2)C1 ZINC001043586589 778548908 /nfs/dbraw/zinc/54/89/08/778548908.db2.gz HCPGUQMFUKEQLF-KFWWJZLASA-N 1 1 343.431 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nccc(OC)n2)C1 ZINC001043586589 778548911 /nfs/dbraw/zinc/54/89/11/778548911.db2.gz HCPGUQMFUKEQLF-KFWWJZLASA-N 1 1 343.431 0.842 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C#CC3CC3)CCOCC2)CC[N@H+]1C ZINC001070112093 790643463 /nfs/dbraw/zinc/64/34/63/790643463.db2.gz MDANEWXTVBHOIN-GDBMZVCRSA-N 1 1 347.459 0.522 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068588945 790645276 /nfs/dbraw/zinc/64/52/76/790645276.db2.gz OYGQJPPYNPJMBG-AAVRWANBSA-N 1 1 328.420 0.275 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001043771398 778845204 /nfs/dbraw/zinc/84/52/04/778845204.db2.gz VDHIKZMXOZGENC-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 ZINC001068598863 790679481 /nfs/dbraw/zinc/67/94/81/790679481.db2.gz YOMNHWMMLIYQPC-KBPBESRZSA-N 1 1 336.436 0.364 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC001042272144 779954216 /nfs/dbraw/zinc/95/42/16/779954216.db2.gz MAEKXSMACUNVKB-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cnccc3=O)C[C@H]21 ZINC001042291828 780004420 /nfs/dbraw/zinc/00/44/20/780004420.db2.gz HGDOTPQLYSBEQJ-HZPDHXFCSA-N 1 1 328.416 0.580 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC001042301785 780022435 /nfs/dbraw/zinc/02/24/35/780022435.db2.gz NPZOUAONAGMGJP-KGLIPLIRSA-N 1 1 346.431 0.263 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC001042301333 780022768 /nfs/dbraw/zinc/02/27/68/780022768.db2.gz GKZCBDGJTXOTAM-KGLIPLIRSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 ZINC001042302438 780023937 /nfs/dbraw/zinc/02/39/37/780023937.db2.gz SOUIJNQHFWKSNK-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]21 ZINC001042312022 780050471 /nfs/dbraw/zinc/05/04/71/780050471.db2.gz LYWOORXICXLEBL-RYUDHWBXSA-N 1 1 346.387 0.456 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)C[C@@H]21 ZINC001042348260 780114469 /nfs/dbraw/zinc/11/44/69/780114469.db2.gz HQJLMYXUTJBBLJ-YOEHRIQHSA-N 1 1 336.399 0.832 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]21 ZINC001042353360 780125071 /nfs/dbraw/zinc/12/50/71/780125071.db2.gz LQXVALQMJYXBPC-ZFWWWQNUSA-N 1 1 346.431 0.989 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]21 ZINC001042354443 780126217 /nfs/dbraw/zinc/12/62/17/780126217.db2.gz SHDNWMLUKOHRNJ-GXTWGEPZSA-N 1 1 330.388 0.046 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@H]21 ZINC001042358059 780137981 /nfs/dbraw/zinc/13/79/81/780137981.db2.gz NOCJWOONYNRBOI-HUUCEWRRSA-N 1 1 338.415 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001042361177 780144124 /nfs/dbraw/zinc/14/41/24/780144124.db2.gz AYXIZPMZVONFTI-WMLDXEAASA-N 1 1 341.411 0.720 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(CC(=O)NC)[C@H]3C2)CC1 ZINC001042368535 780156317 /nfs/dbraw/zinc/15/63/17/780156317.db2.gz QWRPONBJLJOUGR-WBVHZDCISA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(OC)ncnc3OC)C[C@@H]21 ZINC001042379286 780172777 /nfs/dbraw/zinc/17/27/77/780172777.db2.gz JIKSJOXVCWQXNL-STQMWFEESA-N 1 1 330.388 0.663 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@@H]1n1ccnn1 ZINC001070152234 790767725 /nfs/dbraw/zinc/76/77/25/790767725.db2.gz QQBQBQDUNBTLMX-KGLIPLIRSA-N 1 1 349.826 0.728 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042511213 780369297 /nfs/dbraw/zinc/36/92/97/780369297.db2.gz YJQPOVFOBLCLSY-VNHYZAJKSA-N 1 1 328.420 0.773 20 30 ECEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)on1 ZINC001070159595 790786751 /nfs/dbraw/zinc/78/67/51/790786751.db2.gz JYEDIWKAJZVIGD-GDLCADMTSA-N 1 1 329.364 0.276 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001070161028 790790495 /nfs/dbraw/zinc/79/04/95/790790495.db2.gz QSXGSAJDYDBKQD-RTXFEEFZSA-N 1 1 331.405 0.436 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001078896530 780593353 /nfs/dbraw/zinc/59/33/53/780593353.db2.gz OKXPXRQQLMIPLY-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001078896530 780593362 /nfs/dbraw/zinc/59/33/62/780593362.db2.gz OKXPXRQQLMIPLY-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO CN(c1cncc(C#N)n1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001068656953 790817998 /nfs/dbraw/zinc/81/79/98/790817998.db2.gz HMQBUUOHGOHJMN-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)nn2)C1 ZINC001079134621 780797301 /nfs/dbraw/zinc/79/73/01/780797301.db2.gz IWEMEILBXOGEAE-IAGOWNOFSA-N 1 1 341.415 0.689 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)nn2)C1 ZINC001079134621 780797305 /nfs/dbraw/zinc/79/73/05/780797305.db2.gz IWEMEILBXOGEAE-IAGOWNOFSA-N 1 1 341.415 0.689 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)n2)C1 ZINC001079146153 780814342 /nfs/dbraw/zinc/81/43/42/780814342.db2.gz VZZZRHYULAHHRM-IAGOWNOFSA-N 1 1 341.415 0.689 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)n2)C1 ZINC001079146153 780814360 /nfs/dbraw/zinc/81/43/60/780814360.db2.gz VZZZRHYULAHHRM-IAGOWNOFSA-N 1 1 341.415 0.689 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001042802948 780849907 /nfs/dbraw/zinc/84/99/07/780849907.db2.gz PPQUSHRLXAXAKJ-CVEARBPZSA-N 1 1 347.459 0.496 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)Cc3ccn[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231548 780907421 /nfs/dbraw/zinc/90/74/21/780907421.db2.gz PQXYKWLTPDISOJ-DLBZAZTESA-N 1 1 342.443 0.915 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC3(CCN(CC#N)CC3)[C@H]3COC[C@H]32)CC[N@H+]1C ZINC001079243112 780917596 /nfs/dbraw/zinc/91/75/96/780917596.db2.gz LZURLGDXHKGEOE-WCXIOVBPSA-N 1 1 346.475 0.790 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CN(C(=O)C(N)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079258173 780930622 /nfs/dbraw/zinc/93/06/22/780930622.db2.gz QNGMUHGGCFQLNH-NWDGAFQWSA-N 1 1 327.812 0.164 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](C)SC)C1 ZINC001079361723 781028811 /nfs/dbraw/zinc/02/88/11/781028811.db2.gz BJTAGYKIQCVGPX-HIFRSBDPSA-N 1 1 337.489 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](C)SC)C1 ZINC001079361723 781028817 /nfs/dbraw/zinc/02/88/17/781028817.db2.gz BJTAGYKIQCVGPX-HIFRSBDPSA-N 1 1 337.489 0.895 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnccn3)C2)C1=O ZINC001079373276 781041483 /nfs/dbraw/zinc/04/14/83/781041483.db2.gz VRJQUGLYCNOHLC-YUELXQCFSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnccn3)C2)C1=O ZINC001079373276 781041492 /nfs/dbraw/zinc/04/14/92/781041492.db2.gz VRJQUGLYCNOHLC-YUELXQCFSA-N 1 1 329.404 0.314 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@H]2CCCO2)C1 ZINC001079373776 781042992 /nfs/dbraw/zinc/04/29/92/781042992.db2.gz MXTUZCORASKVFU-SJORKVTESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@H]2CCCO2)C1 ZINC001079373776 781042996 /nfs/dbraw/zinc/04/29/96/781042996.db2.gz MXTUZCORASKVFU-SJORKVTESA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001079380525 781051678 /nfs/dbraw/zinc/05/16/78/781051678.db2.gz RGFBMQVCMVBKHO-DAXOMENPSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001079380525 781051684 /nfs/dbraw/zinc/05/16/84/781051684.db2.gz RGFBMQVCMVBKHO-DAXOMENPSA-N 1 1 343.431 0.622 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400495 781078349 /nfs/dbraw/zinc/07/83/49/781078349.db2.gz PYZQIWHTVBEIQI-CZUORRHYSA-N 1 1 342.378 0.300 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400495 781078354 /nfs/dbraw/zinc/07/83/54/781078354.db2.gz PYZQIWHTVBEIQI-CZUORRHYSA-N 1 1 342.378 0.300 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 ZINC001042960185 781101636 /nfs/dbraw/zinc/10/16/36/781101636.db2.gz HLVKVAGDTFHGES-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2noc(CCC)n2)C1 ZINC001042961339 781103971 /nfs/dbraw/zinc/10/39/71/781103971.db2.gz ZSWYMJFVZTVTSF-HNNXBMFYSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2noc(CCC)n2)C1 ZINC001042961339 781103977 /nfs/dbraw/zinc/10/39/77/781103977.db2.gz ZSWYMJFVZTVTSF-HNNXBMFYSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCO[C@H]2CC2(F)F)C1 ZINC001042961937 781104885 /nfs/dbraw/zinc/10/48/85/781104885.db2.gz AVYMGYWTYBJJBV-GJZGRUSLSA-N 1 1 341.402 0.651 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCO[C@H]2CC2(F)F)C1 ZINC001042961937 781104887 /nfs/dbraw/zinc/10/48/87/781104887.db2.gz AVYMGYWTYBJJBV-GJZGRUSLSA-N 1 1 341.402 0.651 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)C1 ZINC001042966156 781112263 /nfs/dbraw/zinc/11/22/63/781112263.db2.gz PEAAHPCBXSDWFH-CQSZACIVSA-N 1 1 335.448 0.067 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042976975 781127170 /nfs/dbraw/zinc/12/71/70/781127170.db2.gz BHKSZQKCWMHSMH-FVQBIDKESA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493375 781180740 /nfs/dbraw/zinc/18/07/40/781180740.db2.gz MKWZPSRWLSVSRQ-DJIMGWMZSA-N 1 1 325.412 0.753 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493375 781180743 /nfs/dbraw/zinc/18/07/43/781180743.db2.gz MKWZPSRWLSVSRQ-DJIMGWMZSA-N 1 1 325.412 0.753 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526189 781221594 /nfs/dbraw/zinc/22/15/94/781221594.db2.gz JCSIUGVEEOVFJA-OLMNPRSZSA-N 1 1 342.443 0.825 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079540152 781241575 /nfs/dbraw/zinc/24/15/75/781241575.db2.gz PSSFDHQVVFKFCJ-UEKVPHQBSA-N 1 1 329.404 0.604 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079540152 781241580 /nfs/dbraw/zinc/24/15/80/781241580.db2.gz PSSFDHQVVFKFCJ-UEKVPHQBSA-N 1 1 329.404 0.604 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043060881 781258458 /nfs/dbraw/zinc/25/84/58/781258458.db2.gz XDTFPKYCMQNPOL-GJZGRUSLSA-N 1 1 335.448 0.517 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2O)CC1 ZINC001077626036 781376982 /nfs/dbraw/zinc/37/69/82/781376982.db2.gz TVGARETZOVSWFJ-IAGOWNOFSA-N 1 1 349.475 0.907 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077679040 781492689 /nfs/dbraw/zinc/49/26/89/781492689.db2.gz FKUHBSPSGDMEDI-ZTFGCOKTSA-N 1 1 342.443 0.561 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC001041447576 781536619 /nfs/dbraw/zinc/53/66/19/781536619.db2.gz AMHGYBLHMLWHQZ-QGZVFWFLSA-N 1 1 332.404 0.449 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041452096 781545446 /nfs/dbraw/zinc/54/54/46/781545446.db2.gz SADBRHWIGUQFRW-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001077747483 781638770 /nfs/dbraw/zinc/63/87/70/781638770.db2.gz GLMGEWGBMYLOMY-GHMZBOCLSA-N 1 1 332.326 0.790 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C2)C1 ZINC001041503071 781645477 /nfs/dbraw/zinc/64/54/77/781645477.db2.gz LDGAUTUJDVVTER-CRAIPNDOSA-N 1 1 327.432 0.707 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNc3cncc(C#N)n3)C2)C1 ZINC001041504281 781649302 /nfs/dbraw/zinc/64/93/02/781649302.db2.gz CWYBLGYBUITQDV-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCCS3(=O)=O)C2)C1 ZINC001041504943 781650937 /nfs/dbraw/zinc/65/09/37/781650937.db2.gz DQICNAYUPIGPAL-NVXWUHKLSA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCCS3(=O)=O)C2)C1 ZINC001041504943 781650938 /nfs/dbraw/zinc/65/09/38/781650938.db2.gz DQICNAYUPIGPAL-NVXWUHKLSA-N 1 1 338.473 0.901 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(N3CCCC3)n2)C1 ZINC001077783400 781687084 /nfs/dbraw/zinc/68/70/84/781687084.db2.gz DYVUMYOVLLDEJO-HZPDHXFCSA-N 1 1 345.447 0.818 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cscn3)C2)cc1 ZINC001077787275 781692615 /nfs/dbraw/zinc/69/26/15/781692615.db2.gz SFQZTZPWMKAAFG-HZPDHXFCSA-N 1 1 342.424 0.919 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cscn3)C2)cc1 ZINC001077787275 781692625 /nfs/dbraw/zinc/69/26/25/781692625.db2.gz SFQZTZPWMKAAFG-HZPDHXFCSA-N 1 1 342.424 0.919 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C)C[C@H]2O)nn1 ZINC001077801569 781722006 /nfs/dbraw/zinc/72/20/06/781722006.db2.gz WXMDDLBTHDQUQF-NVXWUHKLSA-N 1 1 341.415 0.748 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)C3)C[C@H]2O)nn1 ZINC001077813768 781746570 /nfs/dbraw/zinc/74/65/70/781746570.db2.gz AZQYCRFHERUWTA-UWTIDYAISA-N 1 1 333.436 0.675 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001077821798 781757832 /nfs/dbraw/zinc/75/78/32/781757832.db2.gz HCNMEDYNYQBBCM-KLHDSHLOSA-N 1 1 334.420 0.026 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccnc4c3nnn4C)C2)C1 ZINC001041607685 781841620 /nfs/dbraw/zinc/84/16/20/781841620.db2.gz ZQHHYZOMWRRILE-GOSISDBHSA-N 1 1 338.415 0.925 20 30 ECEDMO CC#CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001077903736 781907740 /nfs/dbraw/zinc/90/77/40/781907740.db2.gz QJUBABKZRINZBD-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO CC#CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001077903736 781907750 /nfs/dbraw/zinc/90/77/50/781907750.db2.gz QJUBABKZRINZBD-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(c3ccncc3C#N)CCCO2)C1 ZINC001039915382 783275874 /nfs/dbraw/zinc/27/58/74/783275874.db2.gz QMKJAJNVEWNJLE-HOCLYGCPSA-N 1 1 343.431 0.616 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001039986513 783358321 /nfs/dbraw/zinc/35/83/21/783358321.db2.gz CTYMFESKDMVGJG-MAUKXSAKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040046487 783433864 /nfs/dbraw/zinc/43/38/64/783433864.db2.gz ALQMEBKBULUMDI-QGZVFWFLSA-N 1 1 334.420 0.627 20 30 ECEDMO C=CCCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040811206 783484908 /nfs/dbraw/zinc/48/49/08/783484908.db2.gz BHNZXSVXYKERIC-HNAYVOBHSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001040814012 783491522 /nfs/dbraw/zinc/49/15/22/783491522.db2.gz DRNHMXWDNMFOBW-KXBFYZLASA-N 1 1 349.475 0.764 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)C1 ZINC001040824913 783512591 /nfs/dbraw/zinc/51/25/91/783512591.db2.gz HOSJAELJICXHMC-OFQRWUPVSA-N 1 1 340.431 0.727 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070173002 783592982 /nfs/dbraw/zinc/59/29/82/783592982.db2.gz XVVBGVYVPBHKFA-MRXNPFEDSA-N 1 1 349.475 0.913 20 30 ECEDMO CC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001037818560 783607539 /nfs/dbraw/zinc/60/75/39/783607539.db2.gz HTLMHSUZTNXCRL-DGCLKSJQSA-N 1 1 342.407 0.440 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@@H]1n1ccnn1 ZINC001070193709 783628302 /nfs/dbraw/zinc/62/83/02/783628302.db2.gz NBTJPZPTNZAWNQ-KGLIPLIRSA-N 1 1 347.810 0.784 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCOCC1 ZINC001070233676 783710608 /nfs/dbraw/zinc/71/06/08/783710608.db2.gz BRQSGKVQSCUGDR-UONOGXRCSA-N 1 1 336.436 0.412 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1 ZINC001070338000 783845543 /nfs/dbraw/zinc/84/55/43/783845543.db2.gz QJUWWNSOBMECRZ-MNOVXSKESA-N 1 1 337.771 0.377 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)[C@@H]3CCOC3)[nH]2)[C@H](C2CC2)C1 ZINC001070351115 783859747 /nfs/dbraw/zinc/85/97/47/783859747.db2.gz IGDXMWGYQVSTPT-QLFBSQMISA-N 1 1 343.431 0.516 20 30 ECEDMO C#CC[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)[C@@H]3CCOC3)n2)[C@H](C2CC2)C1 ZINC001070351115 783859761 /nfs/dbraw/zinc/85/97/61/783859761.db2.gz IGDXMWGYQVSTPT-QLFBSQMISA-N 1 1 343.431 0.516 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)[C@@H]3CCOC3)n2)[C@H](C2CC2)C1 ZINC001070351115 783859772 /nfs/dbraw/zinc/85/97/72/783859772.db2.gz IGDXMWGYQVSTPT-QLFBSQMISA-N 1 1 343.431 0.516 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C[C@H]2CCNC(=O)CC2)c1 ZINC001038140081 783910314 /nfs/dbraw/zinc/91/03/14/783910314.db2.gz NDAGGXLFYWVACK-OCCSQVGLSA-N 1 1 329.404 0.607 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2COCCO2)C1 ZINC001070385052 783927197 /nfs/dbraw/zinc/92/71/97/783927197.db2.gz YPMIKCSFYSOBGZ-DOTOQJQBSA-N 1 1 345.399 0.200 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2COCCO2)C1 ZINC001070385052 783927203 /nfs/dbraw/zinc/92/72/03/783927203.db2.gz YPMIKCSFYSOBGZ-DOTOQJQBSA-N 1 1 345.399 0.200 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2)C1 ZINC001070396935 783960236 /nfs/dbraw/zinc/96/02/36/783960236.db2.gz YJRBRQDBGDHQLU-CYBMUJFWSA-N 1 1 326.404 0.886 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(C)nn2C)C1 ZINC001070399192 783965006 /nfs/dbraw/zinc/96/50/06/783965006.db2.gz FNVXUORUCVSDGH-CYBMUJFWSA-N 1 1 326.404 0.804 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001070403182 783976934 /nfs/dbraw/zinc/97/69/34/783976934.db2.gz MKUNOUVYUTZYKN-KGLIPLIRSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001070403253 783977493 /nfs/dbraw/zinc/97/74/93/783977493.db2.gz OLNSTTQWKLNFAC-HOCLYGCPSA-N 1 1 345.447 0.169 20 30 ECEDMO N#Cc1ccc(C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCCO)C2)[nH]1 ZINC001070404692 783982244 /nfs/dbraw/zinc/98/22/44/783982244.db2.gz LZZJXBKMOZPAPD-GFCCVEGCSA-N 1 1 342.403 0.711 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2C)C1 ZINC001070405021 783983493 /nfs/dbraw/zinc/98/34/93/783983493.db2.gz WUMIRYOSJXYEPW-HIFRSBDPSA-N 1 1 333.436 0.332 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nccn2CC)C1 ZINC001070406155 783986494 /nfs/dbraw/zinc/98/64/94/783986494.db2.gz MVTKLXMPFXIUIJ-ZDUSSCGKSA-N 1 1 326.404 0.979 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnnn2C)C1 ZINC001070408042 783991939 /nfs/dbraw/zinc/99/19/39/783991939.db2.gz LQEFLMAQYUTGSR-LBPRGKRZSA-N 1 1 329.408 0.834 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(OC)ncn2)C1 ZINC001070409315 783995892 /nfs/dbraw/zinc/99/58/92/783995892.db2.gz ASNUDYVIPQSOKS-GFCCVEGCSA-N 1 1 340.387 0.561 20 30 ECEDMO C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001070409648 783997190 /nfs/dbraw/zinc/99/71/90/783997190.db2.gz IZLJNUDSBUIFDV-WBVHZDCISA-N 1 1 341.459 0.790 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001070412550 784005059 /nfs/dbraw/zinc/00/50/59/784005059.db2.gz CWDYEWOJQNSUAC-ZFWWWQNUSA-N 1 1 345.447 0.918 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001070412603 784005173 /nfs/dbraw/zinc/00/51/73/784005173.db2.gz FWKONQRTWFQULW-UKRRQHHQSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001070413194 784008413 /nfs/dbraw/zinc/00/84/13/784008413.db2.gz WKHISVUAMRCLKD-HIFRSBDPSA-N 1 1 343.431 0.365 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001070414508 784014423 /nfs/dbraw/zinc/01/44/23/784014423.db2.gz OJBTUAYPYVIJKG-KBPBESRZSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001070415138 784015411 /nfs/dbraw/zinc/01/54/11/784015411.db2.gz YBPAWVADTYDFGU-HOCLYGCPSA-N 1 1 345.447 0.169 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC2=O)C1 ZINC001070419855 784025813 /nfs/dbraw/zinc/02/58/13/784025813.db2.gz KDKMNAVKZCTCOE-JSGCOSHPSA-N 1 1 331.420 0.527 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001070433972 784062055 /nfs/dbraw/zinc/06/20/55/784062055.db2.gz JHFXDQKPQQZCOV-KGLIPLIRSA-N 1 1 345.447 0.870 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ncc[nH]1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442389 784083747 /nfs/dbraw/zinc/08/37/47/784083747.db2.gz GYCZGYZONKHAGF-GFCCVEGCSA-N 1 1 327.392 0.564 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442690 784086413 /nfs/dbraw/zinc/08/64/13/784086413.db2.gz MTGFEXFSCXSJLJ-GJZGRUSLSA-N 1 1 345.447 0.954 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cocn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442870 784088387 /nfs/dbraw/zinc/08/83/87/784088387.db2.gz QYIFVOZSOQDVBF-LBPRGKRZSA-N 1 1 328.376 0.829 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001070906209 784090051 /nfs/dbraw/zinc/09/00/51/784090051.db2.gz XOKSSVMKGMFUSR-YUELXQCFSA-N 1 1 345.403 0.705 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001070906209 784090053 /nfs/dbraw/zinc/09/00/53/784090053.db2.gz XOKSSVMKGMFUSR-YUELXQCFSA-N 1 1 345.403 0.705 20 30 ECEDMO COCC[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444145 784093341 /nfs/dbraw/zinc/09/33/41/784093341.db2.gz IQRXVTRCTLKYHQ-OAHLLOKOSA-N 1 1 343.431 0.401 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ccncn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070450386 784109207 /nfs/dbraw/zinc/10/92/07/784109207.db2.gz DCZBKGRVVCTGFT-CYBMUJFWSA-N 1 1 339.403 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001070921502 784118325 /nfs/dbraw/zinc/11/83/25/784118325.db2.gz AJHWOAQCBRKAGN-CABCVRRESA-N 1 1 348.472 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001070921502 784118326 /nfs/dbraw/zinc/11/83/26/784118326.db2.gz AJHWOAQCBRKAGN-CABCVRRESA-N 1 1 348.472 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCOCC)C1 ZINC001070921696 784119074 /nfs/dbraw/zinc/11/90/74/784119074.db2.gz JIUJWRQUGDINKU-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCOCC)C1 ZINC001070921696 784119081 /nfs/dbraw/zinc/11/90/81/784119081.db2.gz JIUJWRQUGDINKU-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001070921294 784119094 /nfs/dbraw/zinc/11/90/94/784119094.db2.gz UPWGTBJDXGORHD-YUTCNCBUSA-N 1 1 347.375 0.365 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001070921294 784119100 /nfs/dbraw/zinc/11/91/00/784119100.db2.gz UPWGTBJDXGORHD-YUTCNCBUSA-N 1 1 347.375 0.365 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCn2cccn2)CC1 ZINC001070940422 784170920 /nfs/dbraw/zinc/17/09/20/784170920.db2.gz FMWQTRFQOQMEBM-UHFFFAOYSA-N 1 1 347.463 0.890 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)COCCC)C1 ZINC001070516653 784218344 /nfs/dbraw/zinc/21/83/44/784218344.db2.gz SIIIGNJREIDSDW-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)COCCC)C1 ZINC001070516653 784218353 /nfs/dbraw/zinc/21/83/53/784218353.db2.gz SIIIGNJREIDSDW-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2nnc(C)o2)CC1 ZINC001070960896 784234914 /nfs/dbraw/zinc/23/49/14/784234914.db2.gz AEVKPMDFYGQBNU-UHFFFAOYSA-N 1 1 335.408 0.147 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2nnc(C)o2)CC1 ZINC001070960896 784234916 /nfs/dbraw/zinc/23/49/16/784234916.db2.gz AEVKPMDFYGQBNU-UHFFFAOYSA-N 1 1 335.408 0.147 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001070963196 784242556 /nfs/dbraw/zinc/24/25/56/784242556.db2.gz GHIYXXYJQCYKHL-OAHLLOKOSA-N 1 1 335.452 0.033 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2nn(C)cc2C)CC1 ZINC001070963454 784243768 /nfs/dbraw/zinc/24/37/68/784243768.db2.gz ROJNFUQKLVNCKM-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2nn(C)cc2C)CC1 ZINC001070963454 784243775 /nfs/dbraw/zinc/24/37/75/784243775.db2.gz ROJNFUQKLVNCKM-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cn(C)cn1 ZINC001070547700 784255508 /nfs/dbraw/zinc/25/55/08/784255508.db2.gz GFDISUDXYFEWRL-GXFFZTMASA-N 1 1 336.783 0.753 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cn(C)nc2C)CC1 ZINC001070971597 784275115 /nfs/dbraw/zinc/27/51/15/784275115.db2.gz IBCJAFKDQNEHNI-UHFFFAOYSA-N 1 1 347.463 0.498 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)ccn2)CC1 ZINC001070985177 784324788 /nfs/dbraw/zinc/32/47/88/784324788.db2.gz IPSYBZRPXDJHRV-UHFFFAOYSA-N 1 1 346.431 0.930 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)ccn2)CC1 ZINC001070985177 784324795 /nfs/dbraw/zinc/32/47/95/784324795.db2.gz IPSYBZRPXDJHRV-UHFFFAOYSA-N 1 1 346.431 0.930 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001070991517 784341851 /nfs/dbraw/zinc/34/18/51/784341851.db2.gz WFCKJJDQCTVCER-QGZVFWFLSA-N 1 1 348.491 0.392 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2cncnc2)CC1 ZINC001070991337 784341877 /nfs/dbraw/zinc/34/18/77/784341877.db2.gz NLUNFYGVCOJXBZ-OAHLLOKOSA-N 1 1 345.447 0.807 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[C@H](C)O2)CC1 ZINC001070995032 784352741 /nfs/dbraw/zinc/35/27/41/784352741.db2.gz OKPUKSHOGWWSFC-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[C@H](C)O2)CC1 ZINC001070995032 784352752 /nfs/dbraw/zinc/35/27/52/784352752.db2.gz OKPUKSHOGWWSFC-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)[C@@H]2CCCO2)CC1 ZINC001070997696 784360696 /nfs/dbraw/zinc/36/06/96/784360696.db2.gz VLHNMEBVCXGNFI-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)[C@@H]2CCCO2)CC1 ZINC001070997696 784360704 /nfs/dbraw/zinc/36/07/04/784360704.db2.gz VLHNMEBVCXGNFI-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2nccc2C)CC1 ZINC001071005608 784385713 /nfs/dbraw/zinc/38/57/13/784385713.db2.gz AAMDYAGXZDQOOE-UHFFFAOYSA-N 1 1 333.436 0.418 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccn(CC)n2)CC1 ZINC001071006034 784388768 /nfs/dbraw/zinc/38/87/68/784388768.db2.gz RDEBZRIWIMQARL-UHFFFAOYSA-N 1 1 333.436 0.743 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccn(CC)n2)CC1 ZINC001071006034 784388774 /nfs/dbraw/zinc/38/87/74/784388774.db2.gz RDEBZRIWIMQARL-UHFFFAOYSA-N 1 1 333.436 0.743 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001071008196 784393786 /nfs/dbraw/zinc/39/37/86/784393786.db2.gz MXIRBAYPNJHJHJ-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ccn(C)n2)n1 ZINC001070598996 784411740 /nfs/dbraw/zinc/41/17/40/784411740.db2.gz AVQJHCJJXNNFGO-KBPBESRZSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001071023222 784448781 /nfs/dbraw/zinc/44/87/81/784448781.db2.gz VGDZPRORVPFEGE-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001070701841 784568600 /nfs/dbraw/zinc/56/86/00/784568600.db2.gz ZVGKPBFXICHGTP-SJORKVTESA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001070701841 784568603 /nfs/dbraw/zinc/56/86/03/784568603.db2.gz ZVGKPBFXICHGTP-SJORKVTESA-N 1 1 349.475 0.862 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@@H](C)O2 ZINC001071134505 784579353 /nfs/dbraw/zinc/57/93/53/784579353.db2.gz STXAFKOZKXYKML-QAPCUYQASA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@@H](C)O2 ZINC001071134503 784579463 /nfs/dbraw/zinc/57/94/63/784579463.db2.gz STXAFKOZKXYKML-CRAIPNDOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cncn1)C[C@@H](C)O2 ZINC001071136660 784582235 /nfs/dbraw/zinc/58/22/35/784582235.db2.gz NJGOGCURPDPBAB-WBVHZDCISA-N 1 1 333.436 0.936 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)C[C@@H](C)O2 ZINC001071136978 784583153 /nfs/dbraw/zinc/58/31/53/784583153.db2.gz SMRGGAVZBJJXKC-NVXWUHKLSA-N 1 1 331.420 0.383 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nccnc1N)C[C@@H](C)O2 ZINC001071146302 784600049 /nfs/dbraw/zinc/60/00/49/784600049.db2.gz JNLAVUJAUYPHOT-DYVFJYSZSA-N 1 1 329.404 0.388 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nccnc1N)C[C@@H](C)O2 ZINC001071147921 784602579 /nfs/dbraw/zinc/60/25/79/784602579.db2.gz ZIHOQSBKXHNXQO-DYVFJYSZSA-N 1 1 331.420 0.940 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001070728026 784606889 /nfs/dbraw/zinc/60/68/89/784606889.db2.gz CXMFEROLOCLPFS-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCOCC1)C[C@H](C)O2 ZINC001071156860 784621430 /nfs/dbraw/zinc/62/14/30/784621430.db2.gz NTPDDXAIJNGIJL-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@@H](C)O2 ZINC001071158934 784624580 /nfs/dbraw/zinc/62/45/80/784624580.db2.gz DVCUGQBCAUABHK-DYVFJYSZSA-N 1 1 333.388 0.307 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@H](C)O2 ZINC001071159775 784627842 /nfs/dbraw/zinc/62/78/42/784627842.db2.gz RDAKSKPIERFASW-GUYCJALGSA-N 1 1 331.420 0.331 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)C[C@H](C)O2 ZINC001071171290 784652453 /nfs/dbraw/zinc/65/24/53/784652453.db2.gz KRZOLEIITOWURG-GUYCJALGSA-N 1 1 346.435 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)C[C@H](C)O2 ZINC001071171290 784652457 /nfs/dbraw/zinc/65/24/57/784652457.db2.gz KRZOLEIITOWURG-GUYCJALGSA-N 1 1 346.435 0.367 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3c(n1)CCC3)C[C@H](C)O2 ZINC001071172276 784654857 /nfs/dbraw/zinc/65/48/57/784654857.db2.gz ZPGBIYKSLXSHRF-KBXCAEBGSA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3c(n1)CCC3)C[C@H](C)O2 ZINC001071172276 784654863 /nfs/dbraw/zinc/65/48/63/784654863.db2.gz ZPGBIYKSLXSHRF-KBXCAEBGSA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(C)nc1OC)C[C@@H](C)O2 ZINC001071173440 784658717 /nfs/dbraw/zinc/65/87/17/784658717.db2.gz INODZZHRPSPFDI-FZKQIMNGSA-N 1 1 344.415 0.732 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(C)nc1OC)C[C@@H](C)O2 ZINC001071173440 784658722 /nfs/dbraw/zinc/65/87/22/784658722.db2.gz INODZZHRPSPFDI-FZKQIMNGSA-N 1 1 344.415 0.732 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1C)C[C@H](C)O2 ZINC001071173834 784660224 /nfs/dbraw/zinc/66/02/24/784660224.db2.gz OIHVJZAPGMAMAA-KXBFYZLASA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1ccnn1C)C[C@H](C)O2 ZINC001071174298 784661222 /nfs/dbraw/zinc/66/12/22/784661222.db2.gz WBEHKTXVVAFBQY-YJBOKZPZSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc3ccnn31)C[C@H](C)O2 ZINC001071175466 784663854 /nfs/dbraw/zinc/66/38/54/784663854.db2.gz FCYHGOHLBSQLEF-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@H](C)O2 ZINC001071175512 784663927 /nfs/dbraw/zinc/66/39/27/784663927.db2.gz FVCNHOQZZHKXCX-KSSFIOAISA-N 1 1 344.415 0.604 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nnn1CC)C[C@@H](C)O2 ZINC001071175471 784663956 /nfs/dbraw/zinc/66/39/56/784663956.db2.gz FDIUNNGVCKHTEC-KDOFPFPSSA-N 1 1 345.447 0.935 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(C)nc1C)C[C@H](C)O2 ZINC001071178724 784673370 /nfs/dbraw/zinc/67/33/70/784673370.db2.gz VEUQUXAHXOEGSU-HNAYVOBHSA-N 1 1 344.459 0.986 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@H](C)O2 ZINC001071178532 784673484 /nfs/dbraw/zinc/67/34/84/784673484.db2.gz RBKHRWXWTHUFMZ-KSSFIOAISA-N 1 1 344.415 0.109 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc[nH]c1=O)C[C@@H](C)O2 ZINC001071180141 784677387 /nfs/dbraw/zinc/67/73/87/784677387.db2.gz HFKUHCNKALCOOL-DYVFJYSZSA-N 1 1 330.388 0.511 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnccc1OC)C[C@@H](C)O2 ZINC001071180296 784677488 /nfs/dbraw/zinc/67/74/88/784677488.db2.gz JYPMDMGBXDFTBH-BEFAXECRSA-N 1 1 343.427 0.958 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCNC1=O)C[C@H](C)O2 ZINC001071185116 784686813 /nfs/dbraw/zinc/68/68/13/784686813.db2.gz AVWYMTFCMLCPGB-MAUKXSAKSA-N 1 1 348.447 0.117 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@H](C)O2 ZINC001071189213 784694391 /nfs/dbraw/zinc/69/43/91/784694391.db2.gz HODZMQTZHLZPAL-GUYCJALGSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@H](C)O2 ZINC001071189213 784694395 /nfs/dbraw/zinc/69/43/95/784694395.db2.gz HODZMQTZHLZPAL-GUYCJALGSA-N 1 1 330.388 0.424 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071191301 784701884 /nfs/dbraw/zinc/70/18/84/784701884.db2.gz DWGMAOSGLWXEKK-PXAZEXFGSA-N 1 1 333.388 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@@H](C)O2 ZINC001071195138 784712612 /nfs/dbraw/zinc/71/26/12/784712612.db2.gz SFYMPARPKUFWDE-RHSMWYFYSA-N 1 1 331.420 0.166 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)[nH]1)C[C@H](C)O2 ZINC001071209315 784740650 /nfs/dbraw/zinc/74/06/50/784740650.db2.gz IAFYDVLVUJSTPU-SUMWQHHRSA-N 1 1 332.404 0.454 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@@H](C)O2 ZINC001071211343 784745424 /nfs/dbraw/zinc/74/54/24/784745424.db2.gz GGLMYIMVDPJBAQ-ACJLOTCBSA-N 1 1 345.399 0.707 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@@H](C)O2 ZINC001071212228 784747310 /nfs/dbraw/zinc/74/73/10/784747310.db2.gz UTIQIESZEBSIAV-FZKQIMNGSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COC1CCOCC1)C[C@H](C)O2 ZINC001071215403 784753207 /nfs/dbraw/zinc/75/32/07/784753207.db2.gz BCRRUVRARRBIDA-MAUKXSAKSA-N 1 1 336.432 0.507 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)O[C@]3(CC[N@H+](CCF)C3)C2)nn1 ZINC001071215842 784756192 /nfs/dbraw/zinc/75/61/92/784756192.db2.gz HQYFGIFTWMUPJZ-BBRMVZONSA-N 1 1 337.399 0.739 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CCF)C3)C2)nn1 ZINC001071215842 784756197 /nfs/dbraw/zinc/75/61/97/784756197.db2.gz HQYFGIFTWMUPJZ-BBRMVZONSA-N 1 1 337.399 0.739 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@@H](C)O2 ZINC001071218351 784762444 /nfs/dbraw/zinc/76/24/44/784762444.db2.gz MKKDOARBXVFHOX-MJGOQNOKSA-N 1 1 349.475 0.424 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@H](C)O2 ZINC001071219064 784763799 /nfs/dbraw/zinc/76/37/99/784763799.db2.gz SGTNASMGNJAMHT-SUMWQHHRSA-N 1 1 332.404 0.977 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@@H](C)O2 ZINC001071231192 784794681 /nfs/dbraw/zinc/79/46/81/784794681.db2.gz OGDJYJOOUBQDBO-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001070890137 784796167 /nfs/dbraw/zinc/79/61/67/784796167.db2.gz VRBRLDLMEJOKOS-LSDHHAIUSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@H](C)O2 ZINC001071233468 784798260 /nfs/dbraw/zinc/79/82/60/784798260.db2.gz JNGCGSFSNBZJQT-KBXCAEBGSA-N 1 1 346.431 0.757 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001071236406 784803294 /nfs/dbraw/zinc/80/32/94/784803294.db2.gz UQTJQPCVTLUFLM-OXJNMPFZSA-N 1 1 342.439 0.895 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CCN(C(C)=O)CC1)C[C@@H](C)O2 ZINC001071238292 784806922 /nfs/dbraw/zinc/80/69/22/784806922.db2.gz LJNGBAPZKQVMOJ-BEFAXECRSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@@H](C)O2 ZINC001071244462 784822495 /nfs/dbraw/zinc/82/24/95/784822495.db2.gz VNLKNNKODCSIQX-CXAGYDPISA-N 1 1 334.420 0.215 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@H](C)O2 ZINC001071248178 784829632 /nfs/dbraw/zinc/82/96/32/784829632.db2.gz FZZIOHJDIGVCGR-KBXCAEBGSA-N 1 1 345.447 0.935 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 ZINC001071267678 784893909 /nfs/dbraw/zinc/89/39/09/784893909.db2.gz OIBCQCOPCVTJIA-HZPDHXFCSA-N 1 1 347.463 0.129 20 30 ECEDMO C#CCN1CCN([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C(=O)C1 ZINC001071271897 784904507 /nfs/dbraw/zinc/90/45/07/784904507.db2.gz AELPHKONTMKPNX-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001068756771 791077998 /nfs/dbraw/zinc/07/79/98/791077998.db2.gz HNJLFOZGMKEBRA-CQSZACIVSA-N 1 1 332.404 0.644 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CCn1cncn1 ZINC001071438089 785087433 /nfs/dbraw/zinc/08/74/33/785087433.db2.gz LTERLTHXFSGBDJ-OCCSQVGLSA-N 1 1 327.392 0.761 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C(N)=O)CC[C@H]2C)cc1C#N ZINC001071779105 785092600 /nfs/dbraw/zinc/09/26/00/785092600.db2.gz FIKIBGPJRJQEPM-RISCZKNCSA-N 1 1 330.388 0.521 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)C(N)=O)CC[C@H]2C)cc1C#N ZINC001071779105 785092608 /nfs/dbraw/zinc/09/26/08/785092608.db2.gz FIKIBGPJRJQEPM-RISCZKNCSA-N 1 1 330.388 0.521 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001071890743 785279116 /nfs/dbraw/zinc/27/91/16/785279116.db2.gz RDSUDTDTJCQIAP-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001071890743 785279119 /nfs/dbraw/zinc/27/91/19/785279119.db2.gz RDSUDTDTJCQIAP-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@H]1C ZINC001071966232 785432457 /nfs/dbraw/zinc/43/24/57/785432457.db2.gz CVMYYPJRWDSZDL-CABCVRRESA-N 1 1 347.463 0.926 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1C ZINC001071644628 785439215 /nfs/dbraw/zinc/43/92/15/785439215.db2.gz ATHUEYSKFVUXIU-RYUDHWBXSA-N 1 1 339.417 0.533 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)CC[C@@H]1C ZINC001071652009 785450519 /nfs/dbraw/zinc/45/05/19/785450519.db2.gz LQRMFRJQPPFOSW-WCQYABFASA-N 1 1 328.372 0.628 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)CC[C@@H]1C ZINC001071652009 785450524 /nfs/dbraw/zinc/45/05/24/785450524.db2.gz LQRMFRJQPPFOSW-WCQYABFASA-N 1 1 328.372 0.628 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cn(C3CCOCC3)nn2)CC[C@H]1C ZINC001071975826 785457319 /nfs/dbraw/zinc/45/73/19/785457319.db2.gz ZPDLQDPIBJLNHL-ZIAGYGMSSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cn(C3CCOCC3)nn2)CC[C@H]1C ZINC001071975826 785457320 /nfs/dbraw/zinc/45/73/20/785457320.db2.gz ZPDLQDPIBJLNHL-ZIAGYGMSSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3sccn3c2=O)CC[C@H]1C ZINC001071662368 785475313 /nfs/dbraw/zinc/47/53/13/785475313.db2.gz CGZLFRTUGVOSKG-NEPJUHHUSA-N 1 1 330.413 0.972 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@H]1C ZINC001071670343 785490612 /nfs/dbraw/zinc/49/06/12/785490612.db2.gz JKBRCGFADXYCHD-CABCVRRESA-N 1 1 346.431 0.496 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@H]1C ZINC001071670774 785491033 /nfs/dbraw/zinc/49/10/33/785491033.db2.gz REIDUZRUFUQKNR-ZIAGYGMSSA-N 1 1 332.404 0.106 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@H]1C ZINC001071688908 785528404 /nfs/dbraw/zinc/52/84/04/785528404.db2.gz BEBQYULHCUARCS-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@@H]1C ZINC001071701213 785554566 /nfs/dbraw/zinc/55/45/66/785554566.db2.gz FGOYPRIHHDTZPN-QWHCGFSZSA-N 1 1 327.392 0.826 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1C ZINC001072050284 785573701 /nfs/dbraw/zinc/57/37/01/785573701.db2.gz USRARVDSQNVTQR-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@@H]1C ZINC001071721215 785584738 /nfs/dbraw/zinc/58/47/38/785584738.db2.gz NLOLBUCHUTUUJT-KBPBESRZSA-N 1 1 329.404 0.651 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@H]1C ZINC001071724338 785592457 /nfs/dbraw/zinc/59/24/57/785592457.db2.gz FVIZABKAXQJKBG-ZYHUDNBSSA-N 1 1 330.396 0.463 20 30 ECEDMO C=CCCOCC(=O)N[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001072287109 785983008 /nfs/dbraw/zinc/98/30/08/785983008.db2.gz RXDLVSVXVGLZIV-CABCVRRESA-N 1 1 325.453 0.882 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001072338468 786043843 /nfs/dbraw/zinc/04/38/43/786043843.db2.gz DNYWBARQKCHUBV-UKRRQHHQSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4ccn[nH]4)C3)C2)C1=O ZINC001072498148 786284791 /nfs/dbraw/zinc/28/47/91/786284791.db2.gz NWINZPFUQFINJB-AWEZNQCLSA-N 1 1 329.404 0.345 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)c4cc[nH]n4)C3)C2)C1=O ZINC001072498148 786284799 /nfs/dbraw/zinc/28/47/99/786284799.db2.gz NWINZPFUQFINJB-AWEZNQCLSA-N 1 1 329.404 0.345 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cc[nH]n4)C3)C2)C1=O ZINC001072498148 786284804 /nfs/dbraw/zinc/28/48/04/786284804.db2.gz NWINZPFUQFINJB-AWEZNQCLSA-N 1 1 329.404 0.345 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001072499072 786287270 /nfs/dbraw/zinc/28/72/70/786287270.db2.gz RUOYKTUHHPEMEZ-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H](CC)OC)C3)C2)C1=O ZINC001072533266 786336318 /nfs/dbraw/zinc/33/63/18/786336318.db2.gz KXOPBGGCUQVDRV-GJZGRUSLSA-N 1 1 335.448 0.733 20 30 ECEDMO COc1coc(C[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)cc1=O ZINC001072544091 786349479 /nfs/dbraw/zinc/34/94/79/786349479.db2.gz AQLQJNUYVLYVCQ-LBPRGKRZSA-N 1 1 331.372 0.842 20 30 ECEDMO COc1coc(C[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)cc1=O ZINC001072544091 786349482 /nfs/dbraw/zinc/34/94/82/786349482.db2.gz AQLQJNUYVLYVCQ-LBPRGKRZSA-N 1 1 331.372 0.842 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001072553358 786358426 /nfs/dbraw/zinc/35/84/26/786358426.db2.gz YGBPEYLBJJAZTM-QWHCGFSZSA-N 1 1 325.434 0.115 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)CC(N)=O)C3)C2)cc1F ZINC001072565046 786372508 /nfs/dbraw/zinc/37/25/08/786372508.db2.gz GNKPKVGGESEHPG-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)C[C@@H]4CCOC4)C3)C2)C1=O ZINC001072572435 786381533 /nfs/dbraw/zinc/38/15/33/786381533.db2.gz LCYKCZUKYKUDME-JKSUJKDBSA-N 1 1 347.459 0.734 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3N)C[C@@H]21 ZINC001074223176 786461575 /nfs/dbraw/zinc/46/15/75/786461575.db2.gz VETFEQKMDAOJPK-GJZGRUSLSA-N 1 1 333.436 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3N)C[C@@H]21 ZINC001074223176 786461581 /nfs/dbraw/zinc/46/15/81/786461581.db2.gz VETFEQKMDAOJPK-GJZGRUSLSA-N 1 1 333.436 0.884 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 ZINC001074269595 786554133 /nfs/dbraw/zinc/55/41/33/786554133.db2.gz XSFGINQFYNPKPE-HUUCEWRRSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 ZINC001074269595 786554143 /nfs/dbraw/zinc/55/41/43/786554143.db2.gz XSFGINQFYNPKPE-HUUCEWRRSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001073551175 786562470 /nfs/dbraw/zinc/56/24/70/786562470.db2.gz CYBIUBRUMXMVRM-NVXWUHKLSA-N 1 1 348.491 0.648 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001073551221 786562924 /nfs/dbraw/zinc/56/29/24/786562924.db2.gz FWHRMBZADFZQMY-UHFFFAOYSA-N 1 1 336.480 0.648 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001074288663 786601796 /nfs/dbraw/zinc/60/17/96/786601796.db2.gz GYSQKZPFQUOCPK-CVEARBPZSA-N 1 1 346.431 0.615 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001074288663 786601802 /nfs/dbraw/zinc/60/18/02/786601802.db2.gz GYSQKZPFQUOCPK-CVEARBPZSA-N 1 1 346.431 0.615 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001074317528 786662248 /nfs/dbraw/zinc/66/22/48/786662248.db2.gz RCZBGKSQISFBJW-UONOGXRCSA-N 1 1 332.404 0.982 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001074317528 786662253 /nfs/dbraw/zinc/66/22/53/786662253.db2.gz RCZBGKSQISFBJW-UONOGXRCSA-N 1 1 332.404 0.982 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 ZINC001074335711 786697859 /nfs/dbraw/zinc/69/78/59/786697859.db2.gz CLEJDMFPKROLDL-HZPDHXFCSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 ZINC001074335711 786697862 /nfs/dbraw/zinc/69/78/62/786697862.db2.gz CLEJDMFPKROLDL-HZPDHXFCSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC001073601984 786750140 /nfs/dbraw/zinc/75/01/40/786750140.db2.gz PLTVZYVGJRGYLO-DOTOQJQBSA-N 1 1 348.491 0.505 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC001073603277 786754245 /nfs/dbraw/zinc/75/42/45/786754245.db2.gz BIGAIXRWEIGHGK-HNNXBMFYSA-N 1 1 331.420 0.847 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC001073603277 786754251 /nfs/dbraw/zinc/75/42/51/786754251.db2.gz BIGAIXRWEIGHGK-HNNXBMFYSA-N 1 1 331.420 0.847 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001073607931 786762584 /nfs/dbraw/zinc/76/25/84/786762584.db2.gz APJOCGNJPNSNFU-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001073607931 786762588 /nfs/dbraw/zinc/76/25/88/786762588.db2.gz APJOCGNJPNSNFU-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001073624026 786795183 /nfs/dbraw/zinc/79/51/83/786795183.db2.gz ZURRIPQYMCWEOR-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625335 786798447 /nfs/dbraw/zinc/79/84/47/786798447.db2.gz CXBMIZOFBFQGSE-HZPDHXFCSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001073630388 786814621 /nfs/dbraw/zinc/81/46/21/786814621.db2.gz UDFQZFMBTNQHNE-MRXNPFEDSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001073631024 786819069 /nfs/dbraw/zinc/81/90/69/786819069.db2.gz MIKUUYLWVWGNKI-CQSZACIVSA-N 1 1 333.436 0.877 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001073633653 786826193 /nfs/dbraw/zinc/82/61/93/786826193.db2.gz BWAIYWHJZYLDIM-RDJZCZTQSA-N 1 1 342.443 0.812 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001073633967 786828847 /nfs/dbraw/zinc/82/88/47/786828847.db2.gz KJCAJCCHVGIPBA-GFCCVEGCSA-N 1 1 343.387 0.128 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001073633967 786828854 /nfs/dbraw/zinc/82/88/54/786828854.db2.gz KJCAJCCHVGIPBA-GFCCVEGCSA-N 1 1 343.387 0.128 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3ccncc23)C1 ZINC001073636752 786835395 /nfs/dbraw/zinc/83/53/95/786835395.db2.gz GNANZMGZYFNQPN-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3ccncc23)C1 ZINC001073636752 786835406 /nfs/dbraw/zinc/83/54/06/786835406.db2.gz GNANZMGZYFNQPN-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 ZINC001074415885 786914026 /nfs/dbraw/zinc/91/40/26/786914026.db2.gz YFGSQMTUQUNYPG-HIFRSBDPSA-N 1 1 334.420 0.215 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 ZINC001074415885 786914035 /nfs/dbraw/zinc/91/40/35/786914035.db2.gz YFGSQMTUQUNYPG-HIFRSBDPSA-N 1 1 334.420 0.215 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001073667892 786919630 /nfs/dbraw/zinc/91/96/30/786919630.db2.gz QRVXMVHNZMKFLC-CYBMUJFWSA-N 1 1 345.403 0.745 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001073677772 786948582 /nfs/dbraw/zinc/94/85/82/786948582.db2.gz ROTFIUXKRXNAEA-CQSZACIVSA-N 1 1 345.399 0.697 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001073679055 786952440 /nfs/dbraw/zinc/95/24/40/786952440.db2.gz HWSXYYVEIHGUTL-OAHLLOKOSA-N 1 1 347.415 0.943 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073679534 786954056 /nfs/dbraw/zinc/95/40/56/786954056.db2.gz OKAQCXRTYDYVDZ-LBPRGKRZSA-N 1 1 328.372 0.030 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073679534 786954062 /nfs/dbraw/zinc/95/40/62/786954062.db2.gz OKAQCXRTYDYVDZ-LBPRGKRZSA-N 1 1 328.372 0.030 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001073709894 787020218 /nfs/dbraw/zinc/02/02/18/787020218.db2.gz LAMPQQTWPDZMPL-JKSUJKDBSA-N 1 1 345.447 0.379 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001073712607 787026572 /nfs/dbraw/zinc/02/65/72/787026572.db2.gz GZAKBXRGONGXCL-UONOGXRCSA-N 1 1 347.406 0.345 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001073712594 787027689 /nfs/dbraw/zinc/02/76/89/787027689.db2.gz GVOURYPSYJOTEP-GJZGRUSLSA-N 1 1 346.431 0.378 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001073712594 787027703 /nfs/dbraw/zinc/02/77/03/787027703.db2.gz GVOURYPSYJOTEP-GJZGRUSLSA-N 1 1 346.431 0.378 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001073713191 787028415 /nfs/dbraw/zinc/02/84/15/787028415.db2.gz VQBPGCIUQMNXEP-KBPBESRZSA-N 1 1 332.404 0.368 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001073713191 787028420 /nfs/dbraw/zinc/02/84/20/787028420.db2.gz VQBPGCIUQMNXEP-KBPBESRZSA-N 1 1 332.404 0.368 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CCCC)C1 ZINC001073713031 787029483 /nfs/dbraw/zinc/02/94/83/787029483.db2.gz RJUXBBVZWKKUFI-IRXDYDNUSA-N 1 1 339.480 0.880 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001073713330 787030832 /nfs/dbraw/zinc/03/08/32/787030832.db2.gz YSOLDHQAAGCPPX-ROUUACIJSA-N 1 1 349.475 0.328 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001073713330 787030841 /nfs/dbraw/zinc/03/08/41/787030841.db2.gz YSOLDHQAAGCPPX-ROUUACIJSA-N 1 1 349.475 0.328 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001073717084 787043335 /nfs/dbraw/zinc/04/33/35/787043335.db2.gz VTKNONRMXVCQKP-GDBMZVCRSA-N 1 1 341.411 0.953 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001073717084 787043339 /nfs/dbraw/zinc/04/33/39/787043339.db2.gz VTKNONRMXVCQKP-GDBMZVCRSA-N 1 1 341.411 0.953 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001073723238 787063495 /nfs/dbraw/zinc/06/34/95/787063495.db2.gz DMXWOKLSIQDJKI-HNNXBMFYSA-N 1 1 348.447 0.794 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001073739962 787091213 /nfs/dbraw/zinc/09/12/13/787091213.db2.gz ADAQJSZXSFJSTH-MSOLQXFVSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001073739962 787091217 /nfs/dbraw/zinc/09/12/17/787091217.db2.gz ADAQJSZXSFJSTH-MSOLQXFVSA-N 1 1 349.475 0.470 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001073745617 787109730 /nfs/dbraw/zinc/10/97/30/787109730.db2.gz CVFBMBVNEXEPON-KGLIPLIRSA-N 1 1 333.436 0.313 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001073748271 787120769 /nfs/dbraw/zinc/12/07/69/787120769.db2.gz VWRMFAWKFZSSLK-JSGCOSHPSA-N 1 1 349.460 0.802 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc(N(C)C)c2)C1 ZINC001073798449 787222240 /nfs/dbraw/zinc/22/22/40/787222240.db2.gz GTBTZBGWFDKLGA-INIZCTEOSA-N 1 1 330.432 0.992 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001073804881 787234979 /nfs/dbraw/zinc/23/49/79/787234979.db2.gz YCQNTKYCPJLZGV-CYBMUJFWSA-N 1 1 330.388 0.514 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001073804881 787234988 /nfs/dbraw/zinc/23/49/88/787234988.db2.gz YCQNTKYCPJLZGV-CYBMUJFWSA-N 1 1 330.388 0.514 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001074565536 787271293 /nfs/dbraw/zinc/27/12/93/787271293.db2.gz LFSUPBYEDMVTRV-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 ZINC001073848153 787348381 /nfs/dbraw/zinc/34/83/81/787348381.db2.gz QNZYXYQLNGETPZ-HUUCEWRRSA-N 1 1 330.432 0.745 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001073848153 787348388 /nfs/dbraw/zinc/34/83/88/787348388.db2.gz QNZYXYQLNGETPZ-HUUCEWRRSA-N 1 1 330.432 0.745 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001073848153 787348398 /nfs/dbraw/zinc/34/83/98/787348398.db2.gz QNZYXYQLNGETPZ-HUUCEWRRSA-N 1 1 330.432 0.745 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)nc1 ZINC001073865336 787399106 /nfs/dbraw/zinc/39/91/06/787399106.db2.gz GEATVYOGPBDRAK-IRXDYDNUSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)nc1 ZINC001073865335 787399416 /nfs/dbraw/zinc/39/94/16/787399416.db2.gz GEATVYOGPBDRAK-IAGOWNOFSA-N 1 1 343.427 0.920 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074617866 787409632 /nfs/dbraw/zinc/40/96/32/787409632.db2.gz IKBJCSSBUDXTFY-UHFFFAOYSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001073874124 787418036 /nfs/dbraw/zinc/41/80/36/787418036.db2.gz SWIZDTJSQDFZIL-GFCCVEGCSA-N 1 1 341.371 0.184 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001073874124 787418041 /nfs/dbraw/zinc/41/80/41/787418041.db2.gz SWIZDTJSQDFZIL-GFCCVEGCSA-N 1 1 341.371 0.184 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C2CCC2)CC1 ZINC001074627177 787441534 /nfs/dbraw/zinc/44/15/34/787441534.db2.gz IWDUZMDFMKXTRS-INIZCTEOSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C2CCC2)CC1 ZINC001074627177 787441540 /nfs/dbraw/zinc/44/15/40/787441540.db2.gz IWDUZMDFMKXTRS-INIZCTEOSA-N 1 1 347.459 0.354 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c(C)nn3cccnc23)C1 ZINC001073889697 787445158 /nfs/dbraw/zinc/44/51/58/787445158.db2.gz XYTSOEVLDOTJMJ-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)nn3cccnc23)C1 ZINC001073889697 787445161 /nfs/dbraw/zinc/44/51/61/787445161.db2.gz XYTSOEVLDOTJMJ-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001073890749 787449701 /nfs/dbraw/zinc/44/97/01/787449701.db2.gz ICLMYIAVPQEUKF-HOTGVXAUSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001073898715 787473080 /nfs/dbraw/zinc/47/30/80/787473080.db2.gz AGMZEHHEFQMWPG-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001073898715 787473081 /nfs/dbraw/zinc/47/30/81/787473081.db2.gz AGMZEHHEFQMWPG-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001073901812 787483164 /nfs/dbraw/zinc/48/31/64/787483164.db2.gz GKXIMDJIGWNAAV-HUUCEWRRSA-N 1 1 331.420 0.071 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(N(C)C)ccn2)C1 ZINC001073905964 787491328 /nfs/dbraw/zinc/49/13/28/787491328.db2.gz PAXVUBNUWMHCRI-INIZCTEOSA-N 1 1 330.432 0.992 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001073910906 787506241 /nfs/dbraw/zinc/50/62/41/787506241.db2.gz CTGXEZQYDOULEE-AWEZNQCLSA-N 1 1 332.404 0.577 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001074656630 787522630 /nfs/dbraw/zinc/52/26/30/787522630.db2.gz UHTWKGOMUWLRCF-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 ZINC001073951733 787572086 /nfs/dbraw/zinc/57/20/86/787572086.db2.gz NZJHQIMKKXXVAK-CZUORRHYSA-N 1 1 328.416 0.958 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001073962768 787592835 /nfs/dbraw/zinc/59/28/35/787592835.db2.gz JNMGJGSFCNBHBU-ZBFHGGJFSA-N 1 1 346.431 0.585 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4COC(=O)N4)C3)C2)cc1 ZINC001072686078 788588353 /nfs/dbraw/zinc/58/83/53/788588353.db2.gz BTPWCQXEJHBVPC-OAHLLOKOSA-N 1 1 340.383 0.701 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC001072732499 788664489 /nfs/dbraw/zinc/66/44/89/788664489.db2.gz MRZZDCORAUCRBI-AWEZNQCLSA-N 1 1 343.431 0.873 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001075032042 788757091 /nfs/dbraw/zinc/75/70/91/788757091.db2.gz OBZHQIIEJNBMDE-CVEARBPZSA-N 1 1 337.464 0.862 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cn(-c4cccnc4)nn3)C2)C1 ZINC001072802220 788836351 /nfs/dbraw/zinc/83/63/51/788836351.db2.gz ROMCLVWPQFEHIK-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1nnc(C)[nH]1)C2 ZINC001072822551 788889227 /nfs/dbraw/zinc/88/92/27/788889227.db2.gz NCFBZGQQYNIKEZ-HNNXBMFYSA-N 1 1 342.447 0.245 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1nnc(C)[nH]1)C2 ZINC001072822551 788889239 /nfs/dbraw/zinc/88/92/39/788889239.db2.gz NCFBZGQQYNIKEZ-HNNXBMFYSA-N 1 1 342.447 0.245 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cncn1C)C2 ZINC001072823017 788892473 /nfs/dbraw/zinc/89/24/73/788892473.db2.gz YJOPJXSMYWHRQI-KRWDZBQOSA-N 1 1 341.459 0.552 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)C1 ZINC001072854268 788969040 /nfs/dbraw/zinc/96/90/40/788969040.db2.gz IMEBJCLZXRVZCK-OLZOCXBDSA-N 1 1 346.349 0.890 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001075189483 789036594 /nfs/dbraw/zinc/03/65/94/789036594.db2.gz RYVILFONBJOXLO-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO CC#CC[N@@H+]1CCC2(CN(C(=O)c3ccc(=O)n(CCOC)c3)C2)C1 ZINC001072894292 789052367 /nfs/dbraw/zinc/05/23/67/789052367.db2.gz KHBNWOGSRSKPMR-UHFFFAOYSA-N 1 1 343.427 0.666 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCN(C)C2=O)C3)c1 ZINC001072968311 789180177 /nfs/dbraw/zinc/18/01/77/789180177.db2.gz FNKANKSVYOPGDP-INIZCTEOSA-N 1 1 338.411 0.442 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001073027240 789299289 /nfs/dbraw/zinc/29/92/89/789299289.db2.gz FUZVXEOGNNDPGH-INIZCTEOSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001073038244 789321087 /nfs/dbraw/zinc/32/10/87/789321087.db2.gz AECDKLBBEAYGMJ-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3nnn(C)c3C(F)(F)F)C2)C1 ZINC001073043333 789335475 /nfs/dbraw/zinc/33/54/75/789335475.db2.gz UEADYCJJANDLEE-UHFFFAOYSA-N 1 1 327.310 0.615 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001073052239 789349725 /nfs/dbraw/zinc/34/97/25/789349725.db2.gz KLNPQIZZJARKAL-HOTGVXAUSA-N 1 1 345.447 0.794 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001073057220 789364703 /nfs/dbraw/zinc/36/47/03/789364703.db2.gz NNNGWWWNMLPXJL-UHFFFAOYSA-N 1 1 325.796 0.326 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001073057220 789364712 /nfs/dbraw/zinc/36/47/12/789364712.db2.gz NNNGWWWNMLPXJL-UHFFFAOYSA-N 1 1 325.796 0.326 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)Cc4ncc[nH]4)C3)C2)C1=O ZINC001073079035 789402917 /nfs/dbraw/zinc/40/29/17/789402917.db2.gz FUWJTCABBNTRSO-CQSZACIVSA-N 1 1 343.431 0.273 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C4=COCCO4)[C@@H]3C2)C1=O ZINC001075517368 789443340 /nfs/dbraw/zinc/44/33/40/789443340.db2.gz YZOJSOQLXUDVHC-SOUVJXGZSA-N 1 1 347.415 0.194 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531348 789460678 /nfs/dbraw/zinc/46/06/78/789460678.db2.gz HHUVHBJAQWWYSA-JKSUJKDBSA-N 1 1 337.387 0.278 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531348 789460687 /nfs/dbraw/zinc/46/06/87/789460687.db2.gz HHUVHBJAQWWYSA-JKSUJKDBSA-N 1 1 337.387 0.278 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H](C)COC)CC1 ZINC001073122237 789477377 /nfs/dbraw/zinc/47/73/77/789477377.db2.gz ZWILOVIGTKCKLP-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H](C)COC)CC1 ZINC001073122237 789477380 /nfs/dbraw/zinc/47/73/80/789477380.db2.gz ZWILOVIGTKCKLP-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO COc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)c(C)n1 ZINC001075620879 789581311 /nfs/dbraw/zinc/58/13/11/789581311.db2.gz GZBHXHQGGWEUOS-OSAQELSMSA-N 1 1 329.404 0.986 20 30 ECEDMO COc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)c(C)n1 ZINC001075620879 789581318 /nfs/dbraw/zinc/58/13/18/789581318.db2.gz GZBHXHQGGWEUOS-OSAQELSMSA-N 1 1 329.404 0.986 20 30 ECEDMO COc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)c(C)n1 ZINC001075620878 789581782 /nfs/dbraw/zinc/58/17/82/789581782.db2.gz GZBHXHQGGWEUOS-CORIIIEPSA-N 1 1 329.404 0.986 20 30 ECEDMO COc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)c(C)n1 ZINC001075620878 789581789 /nfs/dbraw/zinc/58/17/89/789581789.db2.gz GZBHXHQGGWEUOS-CORIIIEPSA-N 1 1 329.404 0.986 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075621201 789581902 /nfs/dbraw/zinc/58/19/02/789581902.db2.gz RSJJHOCWUWSSIG-AEGPPILISA-N 1 1 339.461 0.504 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075621201 789581911 /nfs/dbraw/zinc/58/19/11/789581911.db2.gz RSJJHOCWUWSSIG-AEGPPILISA-N 1 1 339.461 0.504 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3cncc(C#N)n3)C(C)(C)C2)C1 ZINC001069545315 789889834 /nfs/dbraw/zinc/88/98/34/789889834.db2.gz ILPKREGPAOMOIU-KBPBESRZSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3cncc(C#N)n3)C(C)(C)C2)C1 ZINC001069545315 789889839 /nfs/dbraw/zinc/88/98/39/789889839.db2.gz ILPKREGPAOMOIU-KBPBESRZSA-N 1 1 344.419 0.328 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC(Nc2ncc(C#N)cc2F)C1 ZINC001069719082 789986801 /nfs/dbraw/zinc/98/68/01/789986801.db2.gz AEAOYPFUVILVPV-PIMMBPRGSA-N 1 1 347.394 0.824 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC(Nc2ncc(C#N)cc2F)C1 ZINC001069719082 789986803 /nfs/dbraw/zinc/98/68/03/789986803.db2.gz AEAOYPFUVILVPV-PIMMBPRGSA-N 1 1 347.394 0.824 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)c3cc(=O)n(C)o3)c2C1 ZINC001069859338 790110257 /nfs/dbraw/zinc/11/02/57/790110257.db2.gz PRNJLXOZQWIERF-UHFFFAOYSA-N 1 1 345.403 0.887 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)c3cc(=O)n(C)o3)c2C1 ZINC001069859338 790110260 /nfs/dbraw/zinc/11/02/60/790110260.db2.gz PRNJLXOZQWIERF-UHFFFAOYSA-N 1 1 345.403 0.887 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)c2C1 ZINC001069862283 790115741 /nfs/dbraw/zinc/11/57/41/790115741.db2.gz ISRMEPBERKZRPP-INIZCTEOSA-N 1 1 329.448 0.823 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 ZINC001069866561 790124711 /nfs/dbraw/zinc/12/47/11/790124711.db2.gz WKCBPGCDSRCTQC-INIZCTEOSA-N 1 1 344.463 0.959 20 30 ECEDMO C=CCN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)c2C1 ZINC001069870542 790131366 /nfs/dbraw/zinc/13/13/66/790131366.db2.gz DDMBNABVVNKZPV-QGZVFWFLSA-N 1 1 347.463 0.610 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069903537 790172442 /nfs/dbraw/zinc/17/24/42/790172442.db2.gz BXOJHQRODJVKPK-CABCVRRESA-N 1 1 329.408 0.931 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2coc(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069912282 790180713 /nfs/dbraw/zinc/18/07/13/790180713.db2.gz VKVNIDBKDVOFEJ-OCCSQVGLSA-N 1 1 328.376 0.507 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2coc(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069912282 790180717 /nfs/dbraw/zinc/18/07/17/790180717.db2.gz VKVNIDBKDVOFEJ-OCCSQVGLSA-N 1 1 328.376 0.507 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](n2ccnn2)C1 ZINC001069915318 790184695 /nfs/dbraw/zinc/18/46/95/790184695.db2.gz XSQZTTRBDCISJU-OLZOCXBDSA-N 1 1 328.376 0.610 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](n2ccnn2)C1 ZINC001069918213 790188568 /nfs/dbraw/zinc/18/85/68/790188568.db2.gz DZHRGWMRYHFGJD-CABCVRRESA-N 1 1 327.392 0.228 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](n2ccnn2)C1 ZINC001069918213 790188570 /nfs/dbraw/zinc/18/85/70/790188570.db2.gz DZHRGWMRYHFGJD-CABCVRRESA-N 1 1 327.392 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CC2CC2)CCOCC1 ZINC001069939298 790213407 /nfs/dbraw/zinc/21/34/07/790213407.db2.gz HTGNMHULIPGGOC-INIZCTEOSA-N 1 1 347.459 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CC2CC2)CCOCC1 ZINC001069939298 790213412 /nfs/dbraw/zinc/21/34/12/790213412.db2.gz HTGNMHULIPGGOC-INIZCTEOSA-N 1 1 347.459 0.666 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)C1 ZINC001069945662 790224000 /nfs/dbraw/zinc/22/40/00/790224000.db2.gz SSEVMUHIWFGXFQ-XHSDSOJGSA-N 1 1 345.451 0.121 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001069965831 790252635 /nfs/dbraw/zinc/25/26/35/790252635.db2.gz ILSXZYAMOIIWLH-PMPSAXMXSA-N 1 1 345.451 0.264 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)/C(C)=C/C)CO2 ZINC001068808723 791173720 /nfs/dbraw/zinc/17/37/20/791173720.db2.gz KXDZUBNEYWWQEH-HFWZVKQJSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)/C(C)=C/C)CO2 ZINC001068808723 791173724 /nfs/dbraw/zinc/17/37/24/791173724.db2.gz KXDZUBNEYWWQEH-HFWZVKQJSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CCCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068819920 791193201 /nfs/dbraw/zinc/19/32/01/791193201.db2.gz OHEHZDRTYDQEBO-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001068840359 791238460 /nfs/dbraw/zinc/23/84/60/791238460.db2.gz XVNWAQVPFRCFKH-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068858580 791278214 /nfs/dbraw/zinc/27/82/14/791278214.db2.gz HJLCVJWBHLSMNK-HOTGVXAUSA-N 1 1 347.459 0.474 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001068859811 791282869 /nfs/dbraw/zinc/28/28/69/791282869.db2.gz WHDPKEHOBZTMED-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001068862703 791292497 /nfs/dbraw/zinc/29/24/97/791292497.db2.gz GWSAOLWTULUZLX-GOEBONIOSA-N 1 1 345.443 0.370 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001068864129 791297511 /nfs/dbraw/zinc/29/75/11/791297511.db2.gz DXRCYCKUFLLEMZ-OAHLLOKOSA-N 1 1 349.475 0.864 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CO2 ZINC001068899285 791368589 /nfs/dbraw/zinc/36/85/89/791368589.db2.gz LGPJGPGJEIYDLQ-OAHLLOKOSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001068917408 791415804 /nfs/dbraw/zinc/41/58/04/791415804.db2.gz WSQWCAZJMJCZGM-HZPDHXFCSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001068935124 791454162 /nfs/dbraw/zinc/45/41/62/791454162.db2.gz MEMPIMJHHWFKHX-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)CC[N@H+](C)CC)CO2 ZINC001069034711 791625923 /nfs/dbraw/zinc/62/59/23/791625923.db2.gz AXPPREKJVXQRAU-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069118771 791719328 /nfs/dbraw/zinc/71/93/28/791719328.db2.gz JGCRFOAGKMBJJB-ZIAGYGMSSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3nccnc3C#N)C2)C1 ZINC001066675696 791969193 /nfs/dbraw/zinc/96/91/93/791969193.db2.gz QLYNWBLIQYJHCS-KBPBESRZSA-N 1 1 344.419 0.329 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNc3ccc(C#N)nc3)C2)CC[N@H+]1C ZINC001066685567 791984979 /nfs/dbraw/zinc/98/49/79/791984979.db2.gz BNPQLNRKNFFSNF-KBRIMQKVSA-N 1 1 343.431 0.933 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2ncccn2)C1 ZINC001066688946 791995795 /nfs/dbraw/zinc/99/57/95/791995795.db2.gz BGQPNDGIRQXVAE-GJZGRUSLSA-N 1 1 329.404 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2ncccn2)C1 ZINC001066688946 791995799 /nfs/dbraw/zinc/99/57/99/791995799.db2.gz BGQPNDGIRQXVAE-GJZGRUSLSA-N 1 1 329.404 0.214 20 30 ECEDMO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(C(=O)C4CC4)C3)CC2)nn1 ZINC001066693532 792006200 /nfs/dbraw/zinc/00/62/00/792006200.db2.gz BHOUIHNFSZSSFK-OAHLLOKOSA-N 1 1 326.404 0.481 20 30 ECEDMO N#Cc1nccc(N2CC[NH+]([C@H]3CCN(C(=O)C4CC4)C3)CC2)n1 ZINC001066694647 792009614 /nfs/dbraw/zinc/00/96/14/792009614.db2.gz RJLQZRWKHLSSSM-AWEZNQCLSA-N 1 1 326.404 0.481 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)CC2)C1 ZINC001066749780 792095644 /nfs/dbraw/zinc/09/56/44/792095644.db2.gz AESZKEYZSVXFQS-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1nccnc1C#N ZINC001067742970 792212719 /nfs/dbraw/zinc/21/27/19/792212719.db2.gz SFIQYKFQJCKOMW-DZGCQCFKSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)c1cnc(C#N)cn1 ZINC001067762496 792245249 /nfs/dbraw/zinc/24/52/49/792245249.db2.gz BVYCKRPSUOERQC-UKRRQHHQSA-N 1 1 328.420 0.727 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(Nc3ncccc3C#N)C2)C1 ZINC001066905817 792338795 /nfs/dbraw/zinc/33/87/95/792338795.db2.gz BFBMWZDJSSOTOZ-QAPCUYQASA-N 1 1 343.431 0.670 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CC(CNc3ccc(C#N)nn3)C2)C1 ZINC001067856958 792381301 /nfs/dbraw/zinc/38/13/01/792381301.db2.gz UUFHNJQPJCXRQT-DNOWBOINSA-N 1 1 328.420 0.997 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CC(CNc3cncc(C#N)n3)C2)C1 ZINC001067888975 792426886 /nfs/dbraw/zinc/42/68/86/792426886.db2.gz JYGYAUBXLSUHFH-HSBZDZAISA-N 1 1 328.420 0.997 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1C ZINC001067979383 792536778 /nfs/dbraw/zinc/53/67/78/792536778.db2.gz BBZOWVCKSWHNJK-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001066999121 792540280 /nfs/dbraw/zinc/54/02/80/792540280.db2.gz OMXUNKAVXNGUJI-HNNXBMFYSA-N 1 1 325.453 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(C)n1 ZINC001067006065 792556476 /nfs/dbraw/zinc/55/64/76/792556476.db2.gz HDWUCEJXESEINS-INIZCTEOSA-N 1 1 345.447 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(C)n1 ZINC001067006065 792556483 /nfs/dbraw/zinc/55/64/83/792556483.db2.gz HDWUCEJXESEINS-INIZCTEOSA-N 1 1 345.447 0.736 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cc(C#N)c[nH]1 ZINC001067078794 792672525 /nfs/dbraw/zinc/67/25/25/792672525.db2.gz QJOXJUNQIUTUCM-HNNXBMFYSA-N 1 1 347.419 0.137 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cc(C#N)c[nH]1 ZINC001067078794 792672541 /nfs/dbraw/zinc/67/25/41/792672541.db2.gz QJOXJUNQIUTUCM-HNNXBMFYSA-N 1 1 347.419 0.137 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001068161844 792763243 /nfs/dbraw/zinc/76/32/43/792763243.db2.gz GMYKZXZTAALLEK-MPTYRVRUSA-N 1 1 341.415 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001068161844 792763251 /nfs/dbraw/zinc/76/32/51/792763251.db2.gz GMYKZXZTAALLEK-MPTYRVRUSA-N 1 1 341.415 0.082 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001067196462 792806299 /nfs/dbraw/zinc/80/62/99/792806299.db2.gz SBJIBJIORVVVJF-UONOGXRCSA-N 1 1 342.447 0.761 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(C)=O)CC1 ZINC001068246583 792929524 /nfs/dbraw/zinc/92/95/24/792929524.db2.gz AFLVLVRPIMIPGR-ZIFCJYIRSA-N 1 1 349.475 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](O)C(C)C ZINC001067326608 792993267 /nfs/dbraw/zinc/99/32/67/792993267.db2.gz WIPQACMEOIBISN-JKSUJKDBSA-N 1 1 337.464 0.408 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](O)C(C)C ZINC001067326608 792993277 /nfs/dbraw/zinc/99/32/77/792993277.db2.gz WIPQACMEOIBISN-JKSUJKDBSA-N 1 1 337.464 0.408 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001068343633 793087673 /nfs/dbraw/zinc/08/76/73/793087673.db2.gz BTLKJWGSKIRCRN-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001067427516 793140584 /nfs/dbraw/zinc/14/05/84/793140584.db2.gz JPNFKPAJZHCDSS-OAHLLOKOSA-N 1 1 348.447 0.935 20 30 ECEDMO C#CCCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068383240 793164109 /nfs/dbraw/zinc/16/41/09/793164109.db2.gz JDTFINZEIZCAHF-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C#CC(C)C)CCO2 ZINC001068394657 793200492 /nfs/dbraw/zinc/20/04/92/793200492.db2.gz BIPGHIXUFKRNKU-UHFFFAOYSA-N 1 1 349.475 0.818 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001068398932 793215262 /nfs/dbraw/zinc/21/52/62/793215262.db2.gz JVFPWFSKKXFSBY-HZPDHXFCSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)Cn1c[nH+]cc1C)CCO2 ZINC001068414263 793265850 /nfs/dbraw/zinc/26/58/50/793265850.db2.gz YZMVYLNOKYTSMX-UHFFFAOYSA-N 1 1 344.415 0.435 20 30 ECEDMO C=C(Br)C[N@@H+](CCCNC(=O)Cn1ncnn1)C(C)C ZINC001267501270 837576368 /nfs/dbraw/zinc/57/63/68/837576368.db2.gz NALHDUWBNDVTPQ-UHFFFAOYSA-N 1 1 345.245 0.798 20 30 ECEDMO C=C(Br)C[N@H+](CCCNC(=O)Cn1ncnn1)C(C)C ZINC001267501270 837576379 /nfs/dbraw/zinc/57/63/79/837576379.db2.gz NALHDUWBNDVTPQ-UHFFFAOYSA-N 1 1 345.245 0.798 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cccc(C)n2)C1 ZINC001267509355 837599800 /nfs/dbraw/zinc/59/98/00/837599800.db2.gz RPOWZEDHFKTNTR-JKSUJKDBSA-N 1 1 342.443 0.970 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCO1)c1ccccc1 ZINC001267516983 837611074 /nfs/dbraw/zinc/61/10/74/837611074.db2.gz IHRWCWLKVAGVGL-GJZGRUSLSA-N 1 1 330.388 0.252 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1csnn1)c1ccccc1 ZINC001267519524 837667418 /nfs/dbraw/zinc/66/74/18/837667418.db2.gz JJNHGSSCHPBNNJ-CYBMUJFWSA-N 1 1 343.412 0.348 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001267530551 837703970 /nfs/dbraw/zinc/70/39/70/837703970.db2.gz BYQWPKQEFDBLSA-TZMCWYRMSA-N 1 1 348.451 0.175 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001267530551 837703978 /nfs/dbraw/zinc/70/39/78/837703978.db2.gz BYQWPKQEFDBLSA-TZMCWYRMSA-N 1 1 348.451 0.175 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001267530551 837703994 /nfs/dbraw/zinc/70/39/94/837703994.db2.gz BYQWPKQEFDBLSA-TZMCWYRMSA-N 1 1 348.451 0.175 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)Cc2ccn(C)n2)C1 ZINC001267542208 837729416 /nfs/dbraw/zinc/72/94/16/837729416.db2.gz RAKISLIGSQQOTG-INIZCTEOSA-N 1 1 347.463 0.578 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2ccn(C)n2)C1 ZINC001267542208 837729419 /nfs/dbraw/zinc/72/94/19/837729419.db2.gz RAKISLIGSQQOTG-INIZCTEOSA-N 1 1 347.463 0.578 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001267543623 837732112 /nfs/dbraw/zinc/73/21/12/837732112.db2.gz FTFIXIBEZUIBNL-LBPRGKRZSA-N 1 1 341.433 0.945 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CCNC(=O)c2sccc2-n2cnnn2)C1 ZINC001267544983 837734081 /nfs/dbraw/zinc/73/40/81/837734081.db2.gz OLOHRJLQYOAICQ-LBPRGKRZSA-N 1 1 330.417 0.799 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267553368 837757518 /nfs/dbraw/zinc/75/75/18/837757518.db2.gz FWIAILCVPHQQIM-KBPBESRZSA-N 1 1 341.415 0.466 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)CSC)C1 ZINC001267554055 837758194 /nfs/dbraw/zinc/75/81/94/837758194.db2.gz DUJKDUYKAIYGJI-ZIAGYGMSSA-N 1 1 325.478 0.563 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)CCc2ccoc2)C1 ZINC001267554399 837760070 /nfs/dbraw/zinc/76/00/70/837760070.db2.gz SWAFYZHHOPWZQE-CQSZACIVSA-N 1 1 332.404 0.680 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2nnc(C)o2)C1 ZINC001267557109 837764260 /nfs/dbraw/zinc/76/42/60/837764260.db2.gz YPQIYABCXTXXOO-ZDUSSCGKSA-N 1 1 335.408 0.051 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2cnn3c2CCC3)C1 ZINC001267559480 837769869 /nfs/dbraw/zinc/76/98/69/837769869.db2.gz VSFFRUCPEGMUNI-HNNXBMFYSA-N 1 1 330.432 0.921 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001267569021 837793186 /nfs/dbraw/zinc/79/31/86/837793186.db2.gz ZSCOVXAZBHVNGR-ZDUSSCGKSA-N 1 1 346.435 0.185 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001266275231 835598533 /nfs/dbraw/zinc/59/85/33/835598533.db2.gz RBAUQZGCANTLET-CHWSQXEVSA-N 1 1 331.420 0.016 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001266275231 835598539 /nfs/dbraw/zinc/59/85/39/835598539.db2.gz RBAUQZGCANTLET-CHWSQXEVSA-N 1 1 331.420 0.016 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001266275104 835598787 /nfs/dbraw/zinc/59/87/87/835598787.db2.gz NFRFBOBRLLLIPA-SJORKVTESA-N 1 1 331.416 0.857 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)[C@H]1CCCN1C(=O)C(C)(C)C ZINC001266276926 835601709 /nfs/dbraw/zinc/60/17/09/835601709.db2.gz GONINZGJCJDTLM-OAHLLOKOSA-N 1 1 337.464 0.721 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2ccnn2C2CCC2)CC1 ZINC001266285878 835621905 /nfs/dbraw/zinc/62/19/05/835621905.db2.gz QIHNKXFNXPWYPY-UHFFFAOYSA-N 1 1 329.448 0.979 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cn(C)nc2CC)C1=O ZINC001266286381 835623881 /nfs/dbraw/zinc/62/38/81/835623881.db2.gz KBOQHNWZOXFNFW-HNNXBMFYSA-N 1 1 333.436 0.431 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cn(C)nc2CC)C1=O ZINC001266286381 835623886 /nfs/dbraw/zinc/62/38/86/835623886.db2.gz KBOQHNWZOXFNFW-HNNXBMFYSA-N 1 1 333.436 0.431 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cccc3c2CCOC3)CC1 ZINC001266288246 835631387 /nfs/dbraw/zinc/63/13/87/835631387.db2.gz UNQBCMJFNAOSPA-UHFFFAOYSA-N 1 1 327.428 0.740 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn2cc(C)ccc2n1 ZINC001266289010 835632878 /nfs/dbraw/zinc/63/28/78/835632878.db2.gz YBTUWUCDZCEFSX-AWEZNQCLSA-N 1 1 341.415 0.442 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn2cc(C)ccc2n1 ZINC001266289010 835632881 /nfs/dbraw/zinc/63/28/81/835632881.db2.gz YBTUWUCDZCEFSX-AWEZNQCLSA-N 1 1 341.415 0.442 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc2cnccc2o1 ZINC001266293354 835638566 /nfs/dbraw/zinc/63/85/66/835638566.db2.gz UIMUWBAQVLJSHI-LBPRGKRZSA-N 1 1 328.372 0.627 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc2cnccc2o1 ZINC001266293354 835638569 /nfs/dbraw/zinc/63/85/69/835638569.db2.gz UIMUWBAQVLJSHI-LBPRGKRZSA-N 1 1 328.372 0.627 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001266314927 835681653 /nfs/dbraw/zinc/68/16/53/835681653.db2.gz MNHJEXDWVMAPRT-CQSZACIVSA-N 1 1 334.420 0.312 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC001266316517 835684500 /nfs/dbraw/zinc/68/45/00/835684500.db2.gz FDKNTLDVFSQSCH-CXAGYDPISA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC001266316517 835684502 /nfs/dbraw/zinc/68/45/02/835684502.db2.gz FDKNTLDVFSQSCH-CXAGYDPISA-N 1 1 325.453 0.809 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001266333377 835715951 /nfs/dbraw/zinc/71/59/51/835715951.db2.gz LTEQAFCTJJXDBM-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001266333377 835715961 /nfs/dbraw/zinc/71/59/61/835715961.db2.gz LTEQAFCTJJXDBM-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001266345203 835734661 /nfs/dbraw/zinc/73/46/61/835734661.db2.gz PVDUNLZOINXJKW-HOTGVXAUSA-N 1 1 333.436 0.582 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001266345203 835734672 /nfs/dbraw/zinc/73/46/72/835734672.db2.gz PVDUNLZOINXJKW-HOTGVXAUSA-N 1 1 333.436 0.582 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001266359325 835767626 /nfs/dbraw/zinc/76/76/26/835767626.db2.gz SSWSWXWLYZBUNI-CVEARBPZSA-N 1 1 347.463 0.944 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001266359325 835767634 /nfs/dbraw/zinc/76/76/34/835767634.db2.gz SSWSWXWLYZBUNI-CVEARBPZSA-N 1 1 347.463 0.944 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnn(C)c1C1CC1 ZINC001266367835 835779372 /nfs/dbraw/zinc/77/93/72/835779372.db2.gz NNSBETQGMLWBCK-LBPRGKRZSA-N 1 1 333.436 0.650 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnn(C)c1C1CC1 ZINC001266367835 835779381 /nfs/dbraw/zinc/77/93/81/835779381.db2.gz NNSBETQGMLWBCK-LBPRGKRZSA-N 1 1 333.436 0.650 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CCOCCNC(C)=O)C[C@@H]2C1 ZINC001279388234 835788109 /nfs/dbraw/zinc/78/81/09/835788109.db2.gz JDSQHVKSRZZWJJ-IYBDPMFKSA-N 1 1 337.464 0.742 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2cc(OC)ccn2)C1=O ZINC001266408535 835813589 /nfs/dbraw/zinc/81/35/89/835813589.db2.gz LPDZRRVGJFZSOD-MRXNPFEDSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1c(C)nn(CC)c1C ZINC001266422709 835826811 /nfs/dbraw/zinc/82/68/11/835826811.db2.gz MPBBAXKPOKRFQH-OAHLLOKOSA-N 1 1 347.463 0.709 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1c(C)nn(CC)c1C ZINC001266422709 835826819 /nfs/dbraw/zinc/82/68/19/835826819.db2.gz MPBBAXKPOKRFQH-OAHLLOKOSA-N 1 1 347.463 0.709 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cnn2ccccc12 ZINC001266422764 835827163 /nfs/dbraw/zinc/82/71/63/835827163.db2.gz OVTJLZPKAYSWKS-AWEZNQCLSA-N 1 1 341.415 0.524 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cnn2ccccc12 ZINC001266422764 835827172 /nfs/dbraw/zinc/82/71/72/835827172.db2.gz OVTJLZPKAYSWKS-AWEZNQCLSA-N 1 1 341.415 0.524 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001266425679 835829022 /nfs/dbraw/zinc/82/90/22/835829022.db2.gz YNMBWZGRVOEGIV-ZDUSSCGKSA-N 1 1 347.463 0.888 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001266425679 835829029 /nfs/dbraw/zinc/82/90/29/835829029.db2.gz YNMBWZGRVOEGIV-ZDUSSCGKSA-N 1 1 347.463 0.888 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1nn(C)c2ccccc21 ZINC001266431651 835835957 /nfs/dbraw/zinc/83/59/57/835835957.db2.gz JGRZPVIFGVUUBH-UHFFFAOYSA-N 1 1 343.431 0.927 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1nn(C)c2ccccc21 ZINC001266431651 835835965 /nfs/dbraw/zinc/83/59/65/835835965.db2.gz JGRZPVIFGVUUBH-UHFFFAOYSA-N 1 1 343.431 0.927 20 30 ECEDMO CC[N@@H+](CCNC(=O)C[C@@H]1CC(=O)NC1=O)Cc1ccc(C#N)cc1 ZINC001266440319 835845264 /nfs/dbraw/zinc/84/52/64/835845264.db2.gz OJURUHZICCGTIB-OAHLLOKOSA-N 1 1 342.399 0.549 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC001266448168 835851491 /nfs/dbraw/zinc/85/14/91/835851491.db2.gz HSNOHHBLVJHECZ-OAHLLOKOSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC2(OC)CCC2)C1 ZINC001266456526 835859876 /nfs/dbraw/zinc/85/98/76/835859876.db2.gz YOCPUFQCNPQBPY-INIZCTEOSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CC ZINC001266457241 835860875 /nfs/dbraw/zinc/86/08/75/835860875.db2.gz HUZLSDWFIYXEPA-ZIAGYGMSSA-N 1 1 333.436 0.788 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CC ZINC001266457241 835860884 /nfs/dbraw/zinc/86/08/84/835860884.db2.gz HUZLSDWFIYXEPA-ZIAGYGMSSA-N 1 1 333.436 0.788 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC001266458409 835861125 /nfs/dbraw/zinc/86/11/25/835861125.db2.gz UQJCFTYFBFQSHA-CQSZACIVSA-N 1 1 347.419 0.231 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC001266458409 835861132 /nfs/dbraw/zinc/86/11/32/835861132.db2.gz UQJCFTYFBFQSHA-CQSZACIVSA-N 1 1 347.419 0.231 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001266461551 835863527 /nfs/dbraw/zinc/86/35/27/835863527.db2.gz RKBQRLSPPDTGAH-MAUKXSAKSA-N 1 1 333.432 0.793 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]cn1 ZINC001266467621 835868947 /nfs/dbraw/zinc/86/89/47/835868947.db2.gz ABTNJWIJENIIGS-ZFWWWQNUSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]cn1 ZINC001266467621 835868949 /nfs/dbraw/zinc/86/89/49/835868949.db2.gz ABTNJWIJENIIGS-ZFWWWQNUSA-N 1 1 331.420 0.061 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001266473963 835875906 /nfs/dbraw/zinc/87/59/06/835875906.db2.gz DWJCBLSXUORRMW-UZVBGSJOSA-N 1 1 333.432 0.293 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001266473963 835875913 /nfs/dbraw/zinc/87/59/13/835875913.db2.gz DWJCBLSXUORRMW-UZVBGSJOSA-N 1 1 333.432 0.293 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1ncccc1F ZINC001266476753 835878743 /nfs/dbraw/zinc/87/87/43/835878743.db2.gz BUZWJXPAPOFYOZ-ZDUSSCGKSA-N 1 1 334.395 0.646 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ncccc1F ZINC001266476753 835878746 /nfs/dbraw/zinc/87/87/46/835878746.db2.gz BUZWJXPAPOFYOZ-ZDUSSCGKSA-N 1 1 334.395 0.646 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)Cn2nccc2C)C1=O ZINC001266483261 835882943 /nfs/dbraw/zinc/88/29/43/835882943.db2.gz RPPQPHAEPTUVAZ-JKSUJKDBSA-N 1 1 345.447 0.559 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC001266485777 835885225 /nfs/dbraw/zinc/88/52/25/835885225.db2.gz IZSSVIUVYNUBEL-HIFRSBDPSA-N 1 1 345.447 0.315 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC001266485777 835885232 /nfs/dbraw/zinc/88/52/32/835885232.db2.gz IZSSVIUVYNUBEL-HIFRSBDPSA-N 1 1 345.447 0.315 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001266488148 835887809 /nfs/dbraw/zinc/88/78/09/835887809.db2.gz DDOJTQBPRNWGCE-GXTWGEPZSA-N 1 1 343.431 0.619 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001266488148 835887817 /nfs/dbraw/zinc/88/78/17/835887817.db2.gz DDOJTQBPRNWGCE-GXTWGEPZSA-N 1 1 343.431 0.619 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001266492478 835892713 /nfs/dbraw/zinc/89/27/13/835892713.db2.gz PVCIVWSTXDVMLM-HNNXBMFYSA-N 1 1 330.432 0.586 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001266492478 835892719 /nfs/dbraw/zinc/89/27/19/835892719.db2.gz PVCIVWSTXDVMLM-HNNXBMFYSA-N 1 1 330.432 0.586 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(C)n[nH]c1C ZINC001266495593 835895992 /nfs/dbraw/zinc/89/59/92/835895992.db2.gz PKZQXRSUASSTQT-GJZGRUSLSA-N 1 1 347.463 0.840 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cc1c(C)n[nH]c1C ZINC001266495593 835895998 /nfs/dbraw/zinc/89/59/98/835895998.db2.gz PKZQXRSUASSTQT-GJZGRUSLSA-N 1 1 347.463 0.840 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)/C=C\c2ccco2)C1 ZINC001266497992 835898588 /nfs/dbraw/zinc/89/85/88/835898588.db2.gz OROQKNYFJFXVIQ-BEWKBBBFSA-N 1 1 329.400 0.869 20 30 ECEDMO C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccnc1C(N)=O ZINC001266501889 835902358 /nfs/dbraw/zinc/90/23/58/835902358.db2.gz NNRSHJBUBZHTBX-BETUJISGSA-N 1 1 345.403 0.067 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccnc1C(N)=O ZINC001266501889 835902367 /nfs/dbraw/zinc/90/23/67/835902367.db2.gz NNRSHJBUBZHTBX-BETUJISGSA-N 1 1 345.403 0.067 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccon2)C1 ZINC001266503493 835904633 /nfs/dbraw/zinc/90/46/33/835904633.db2.gz WINCVKMCAXTHTE-CQSZACIVSA-N 1 1 332.404 0.927 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)COCC3CC3)C2)C1=O ZINC001266503505 835905044 /nfs/dbraw/zinc/90/50/44/835905044.db2.gz WKOJTEDXWVSURF-HOTGVXAUSA-N 1 1 335.448 0.638 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001266513540 835923432 /nfs/dbraw/zinc/92/34/32/835923432.db2.gz BKIIJJBQRHMEFN-GJZGRUSLSA-N 1 1 330.432 0.806 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001266513540 835923438 /nfs/dbraw/zinc/92/34/38/835923438.db2.gz BKIIJJBQRHMEFN-GJZGRUSLSA-N 1 1 330.432 0.806 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2cn(CC3CC3)nn2)C1 ZINC001266514611 835925933 /nfs/dbraw/zinc/92/59/33/835925933.db2.gz SVEYJIQEFJTWEM-GDBMZVCRSA-N 1 1 345.447 0.665 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2cn(CC3CC3)nn2)C1 ZINC001266514611 835925937 /nfs/dbraw/zinc/92/59/37/835925937.db2.gz SVEYJIQEFJTWEM-GDBMZVCRSA-N 1 1 345.447 0.665 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(F)CCOCC2)C1 ZINC001266517536 835928853 /nfs/dbraw/zinc/92/88/53/835928853.db2.gz KTTYAPFFBLNXOR-KGLIPLIRSA-N 1 1 339.411 0.081 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001266540472 835961010 /nfs/dbraw/zinc/96/10/10/835961010.db2.gz XJFFQYNKBCQPBS-CQSZACIVSA-N 1 1 348.451 0.210 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001266540472 835961013 /nfs/dbraw/zinc/96/10/13/835961013.db2.gz XJFFQYNKBCQPBS-CQSZACIVSA-N 1 1 348.451 0.210 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001266540472 835961020 /nfs/dbraw/zinc/96/10/20/835961020.db2.gz XJFFQYNKBCQPBS-CQSZACIVSA-N 1 1 348.451 0.210 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2cnn(C)c2)C1 ZINC001266540065 835961129 /nfs/dbraw/zinc/96/11/29/835961129.db2.gz NYNKGYFREJRTPX-HZPDHXFCSA-N 1 1 332.448 0.687 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001266540383 835961840 /nfs/dbraw/zinc/96/18/40/835961840.db2.gz VPVLXYBPDSSSOV-AWEZNQCLSA-N 1 1 333.436 0.395 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001266540079 835962084 /nfs/dbraw/zinc/96/20/84/835962084.db2.gz OGOYYNOWILNLJP-AEFFLSMTSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ncoc2C(C)(C)C)C1 ZINC001266540613 835962947 /nfs/dbraw/zinc/96/29/47/835962947.db2.gz ZWZLPAMFUVJCMQ-CYBMUJFWSA-N 1 1 346.431 0.773 20 30 ECEDMO CCC[N@@H+](CCNC(=O)C#CC(C)C)CCN1CCCS1(=O)=O ZINC001266560374 835988456 /nfs/dbraw/zinc/98/84/56/835988456.db2.gz JVKQECPBZYESCD-UHFFFAOYSA-N 1 1 343.493 0.510 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[N@@H+](C[C@@H](O)Cn1cccn1)C1CC1 ZINC001266592627 836023781 /nfs/dbraw/zinc/02/37/81/836023781.db2.gz WPXIRSREWPXHBF-MRXNPFEDSA-N 1 1 332.448 0.874 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1ccc(C#C)cn1)C1CC1 ZINC001266617646 836053726 /nfs/dbraw/zinc/05/37/26/836053726.db2.gz RHIVBEGGYZWSIJ-CQSZACIVSA-N 1 1 338.411 0.395 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1ccc(C#C)cn1)C1CC1 ZINC001266617646 836053739 /nfs/dbraw/zinc/05/37/39/836053739.db2.gz RHIVBEGGYZWSIJ-CQSZACIVSA-N 1 1 338.411 0.395 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C1CC1 ZINC001266622262 836058924 /nfs/dbraw/zinc/05/89/24/836058924.db2.gz WNKULXYPBDDVSK-NOAKMGFQSA-N 1 1 329.444 0.609 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C1CC1 ZINC001266622262 836058935 /nfs/dbraw/zinc/05/89/35/836058935.db2.gz WNKULXYPBDDVSK-NOAKMGFQSA-N 1 1 329.444 0.609 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cnco2)C1 ZINC001266660250 836098228 /nfs/dbraw/zinc/09/82/28/836098228.db2.gz VPFIDXTXGZMMMR-STQMWFEESA-N 1 1 331.376 0.241 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cnco2)C1 ZINC001266660250 836098241 /nfs/dbraw/zinc/09/82/41/836098241.db2.gz VPFIDXTXGZMMMR-STQMWFEESA-N 1 1 331.376 0.241 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001266746199 836231996 /nfs/dbraw/zinc/23/19/96/836231996.db2.gz DBGMOYWVMJYPOK-ZIAGYGMSSA-N 1 1 341.415 0.466 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001266746198 836232259 /nfs/dbraw/zinc/23/22/59/836232259.db2.gz DBGMOYWVMJYPOK-UONOGXRCSA-N 1 1 341.415 0.466 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCc2ccoc2)C1 ZINC001266747388 836234551 /nfs/dbraw/zinc/23/45/51/836234551.db2.gz QQWBFZKUSZMPNN-HNNXBMFYSA-N 1 1 332.404 0.680 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCc2ccoc2)C1 ZINC001266747388 836234563 /nfs/dbraw/zinc/23/45/63/836234563.db2.gz QQWBFZKUSZMPNN-HNNXBMFYSA-N 1 1 332.404 0.680 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001266748926 836237843 /nfs/dbraw/zinc/23/78/43/836237843.db2.gz BGSXTGSLTLYTDU-HUUCEWRRSA-N 1 1 330.432 0.903 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2Cc3ccccc32)C1 ZINC001266758093 836255128 /nfs/dbraw/zinc/25/51/28/836255128.db2.gz NRYHFNAKOOBIOC-QAPCUYQASA-N 1 1 339.439 0.904 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001266763504 836266726 /nfs/dbraw/zinc/26/67/26/836266726.db2.gz FGWVRGDIOIYVCJ-GJZGRUSLSA-N 1 1 343.493 0.412 20 30 ECEDMO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001266766181 836271873 /nfs/dbraw/zinc/27/18/73/836271873.db2.gz DXRGICNHUZKKCM-AWEZNQCLSA-N 1 1 336.436 0.723 20 30 ECEDMO COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001266793933 836312432 /nfs/dbraw/zinc/31/24/32/836312432.db2.gz VFBWOADIWHMPTL-BZUAXINKSA-N 1 1 330.432 0.991 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC1CC1 ZINC001266839591 836361990 /nfs/dbraw/zinc/36/19/90/836361990.db2.gz DQPRHJVUKICLAZ-CRAIPNDOSA-N 1 1 337.464 0.810 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC1CC1 ZINC001266839591 836362000 /nfs/dbraw/zinc/36/20/00/836362000.db2.gz DQPRHJVUKICLAZ-CRAIPNDOSA-N 1 1 337.464 0.810 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCC[N@@H+]2CCNS(C)(=O)=O)C1 ZINC001266855673 836389996 /nfs/dbraw/zinc/38/99/96/836389996.db2.gz FQYMLLYZWURAJS-AWEZNQCLSA-N 1 1 343.493 0.863 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCC[N@H+]2CCNS(C)(=O)=O)C1 ZINC001266855673 836390009 /nfs/dbraw/zinc/39/00/09/836390009.db2.gz FQYMLLYZWURAJS-AWEZNQCLSA-N 1 1 343.493 0.863 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1cncn1C ZINC001266857024 836392564 /nfs/dbraw/zinc/39/25/64/836392564.db2.gz ISJFEEOHSWGFQQ-AWEZNQCLSA-N 1 1 333.436 0.236 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cncn1C ZINC001266857024 836392576 /nfs/dbraw/zinc/39/25/76/836392576.db2.gz ISJFEEOHSWGFQQ-AWEZNQCLSA-N 1 1 333.436 0.236 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCCN1C ZINC001266871128 836416782 /nfs/dbraw/zinc/41/67/82/836416782.db2.gz SZFCHXDGASSTOE-HZPDHXFCSA-N 1 1 334.464 0.191 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001266891371 836440631 /nfs/dbraw/zinc/44/06/31/836440631.db2.gz ORTHQCWONTUKGO-OCCSQVGLSA-N 1 1 334.420 0.904 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266894642 836444243 /nfs/dbraw/zinc/44/42/43/836444243.db2.gz WKPNAHUPOHGUNT-TZMCWYRMSA-N 1 1 342.403 0.356 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266894642 836444247 /nfs/dbraw/zinc/44/42/47/836444247.db2.gz WKPNAHUPOHGUNT-TZMCWYRMSA-N 1 1 342.403 0.356 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001266900844 836453876 /nfs/dbraw/zinc/45/38/76/836453876.db2.gz LDXRWZJYHOKXSC-DMXPTSQMSA-N 1 1 347.459 0.513 20 30 ECEDMO C=C(C)[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)OCC ZINC001266901150 836455143 /nfs/dbraw/zinc/45/51/43/836455143.db2.gz ADMCQCCLFLMCID-CEEVZKBLSA-N 1 1 335.448 0.635 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC001266901286 836456145 /nfs/dbraw/zinc/45/61/45/836456145.db2.gz ZGOUNERHHHSPJF-RMWBKXBUSA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC001266901286 836456149 /nfs/dbraw/zinc/45/61/49/836456149.db2.gz ZGOUNERHHHSPJF-RMWBKXBUSA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@H]1C ZINC001266904837 836462146 /nfs/dbraw/zinc/46/21/46/836462146.db2.gz PMGMQXQHYPGWKL-YXISZKLHSA-N 1 1 347.459 0.658 20 30 ECEDMO C[C@H](CNC(=O)C#CC1CC1)[NH2+]Cc1nnnn1C1CCOCC1 ZINC001266937918 836496657 /nfs/dbraw/zinc/49/66/57/836496657.db2.gz QIAMEJGXSJPPDE-GFCCVEGCSA-N 1 1 332.408 0.032 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1ccc2cncn2c1C ZINC001266951183 836515998 /nfs/dbraw/zinc/51/59/98/836515998.db2.gz ZXPNQWXUZRWXEM-QWHCGFSZSA-N 1 1 341.415 0.489 20 30 ECEDMO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001267001586 836592549 /nfs/dbraw/zinc/59/25/49/836592549.db2.gz SRQLXYQBUUETBQ-HZPDHXFCSA-N 1 1 334.464 0.048 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CS(=O)(=O)CCOC ZINC001279567280 836734102 /nfs/dbraw/zinc/73/41/02/836734102.db2.gz XMKQGIZTOJQAAJ-HUUCEWRRSA-N 1 1 344.477 0.689 20 30 ECEDMO CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001267103521 836778097 /nfs/dbraw/zinc/77/80/97/836778097.db2.gz AFVGNIJHVZLEHA-HOTGVXAUSA-N 1 1 335.448 0.427 20 30 ECEDMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001267104400 836781440 /nfs/dbraw/zinc/78/14/40/836781440.db2.gz BGTORYVZLDZSBN-CHWSQXEVSA-N 1 1 336.436 0.542 20 30 ECEDMO COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cnn3cccnc23)C1 ZINC001267108088 836791281 /nfs/dbraw/zinc/79/12/81/836791281.db2.gz JVFRBCSKTAINDF-HNNXBMFYSA-N 1 1 341.415 0.916 20 30 ECEDMO CCOCC1(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001267109029 836792142 /nfs/dbraw/zinc/79/21/42/836792142.db2.gz WAUXLSCZEKIYRT-AWEZNQCLSA-N 1 1 336.436 0.366 20 30 ECEDMO CCOCC1(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001267109029 836792148 /nfs/dbraw/zinc/79/21/48/836792148.db2.gz WAUXLSCZEKIYRT-AWEZNQCLSA-N 1 1 336.436 0.366 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2cnoc2CC)C1 ZINC001267111744 836796719 /nfs/dbraw/zinc/79/67/19/836796719.db2.gz LSPWMZNHISUPJL-ZIAGYGMSSA-N 1 1 346.431 0.911 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NC(C)C)C2)nn1 ZINC001267111085 836797097 /nfs/dbraw/zinc/79/70/97/836797097.db2.gz FVWZVMFKBOLLJT-AWEZNQCLSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NC(C)C)C2)nn1 ZINC001267111085 836797100 /nfs/dbraw/zinc/79/71/00/836797100.db2.gz FVWZVMFKBOLLJT-AWEZNQCLSA-N 1 1 348.451 0.525 20 30 ECEDMO COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccoc2CC(N)=O)C1 ZINC001267112137 836798844 /nfs/dbraw/zinc/79/88/44/836798844.db2.gz WSOKJNTZWSFXIZ-AWEZNQCLSA-N 1 1 347.415 0.494 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2CCC(OC)CC2)C1 ZINC001267112440 836800306 /nfs/dbraw/zinc/80/03/06/836800306.db2.gz YMKRATWKEDIYSE-AQFXKWCLSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CCC(OC)CC2)C1 ZINC001267112440 836800316 /nfs/dbraw/zinc/80/03/16/836800316.db2.gz YMKRATWKEDIYSE-AQFXKWCLSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267114344 836805302 /nfs/dbraw/zinc/80/53/02/836805302.db2.gz CVQNURKUBCQRSC-UONOGXRCSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC1(F)F ZINC001267164847 836884750 /nfs/dbraw/zinc/88/47/50/836884750.db2.gz OAALICFQXZNAMV-QWHCGFSZSA-N 1 1 327.375 0.752 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCOCC1 ZINC001267165397 836886691 /nfs/dbraw/zinc/88/66/91/836886691.db2.gz VEOJIQJDLALPKB-IRXDYDNUSA-N 1 1 349.475 0.913 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC(=O)N(C)C)nn1 ZINC001267178139 836922050 /nfs/dbraw/zinc/92/20/50/836922050.db2.gz QMKOLUJALCSELH-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C#CCNC(=O)CN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267199855 836970248 /nfs/dbraw/zinc/97/02/48/836970248.db2.gz WXBBAEQQQVKTLW-INIZCTEOSA-N 1 1 334.464 0.191 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1ccnc(N2CCCC2)n1 ZINC001267204508 836983494 /nfs/dbraw/zinc/98/34/94/836983494.db2.gz DONIPXNFZFLFTF-UHFFFAOYSA-N 1 1 331.420 0.388 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[C@H](OC)C(F)(F)F ZINC001267224433 837019760 /nfs/dbraw/zinc/01/97/60/837019760.db2.gz CPZNYCJMRAOXIC-QWRGUYRKSA-N 1 1 337.342 0.140 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[C@H](OC)C(F)(F)F ZINC001267224433 837019763 /nfs/dbraw/zinc/01/97/63/837019763.db2.gz CPZNYCJMRAOXIC-QWRGUYRKSA-N 1 1 337.342 0.140 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc2nc(C)ccc2o1 ZINC001267226674 837026229 /nfs/dbraw/zinc/02/62/29/837026229.db2.gz NCBOQVFWVSHTFU-ZDUSSCGKSA-N 1 1 342.399 0.936 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc2nc(C)ccc2o1 ZINC001267226674 837026241 /nfs/dbraw/zinc/02/62/41/837026241.db2.gz NCBOQVFWVSHTFU-ZDUSSCGKSA-N 1 1 342.399 0.936 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc2nccnc2c1 ZINC001267229090 837028223 /nfs/dbraw/zinc/02/82/23/837028223.db2.gz HWYVEVJQKFNAMZ-ZDUSSCGKSA-N 1 1 339.399 0.429 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2nccnc2c1 ZINC001267229090 837028235 /nfs/dbraw/zinc/02/82/35/837028235.db2.gz HWYVEVJQKFNAMZ-ZDUSSCGKSA-N 1 1 339.399 0.429 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnc(COC)s1 ZINC001267232983 837037413 /nfs/dbraw/zinc/03/74/13/837037413.db2.gz HEVZDVIIZQAEGZ-LLVKDONJSA-N 1 1 338.433 0.089 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnc(COC)s1 ZINC001267232983 837037423 /nfs/dbraw/zinc/03/74/23/837037423.db2.gz HEVZDVIIZQAEGZ-LLVKDONJSA-N 1 1 338.433 0.089 20 30 ECEDMO C=CCOc1ccc(CC(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)cc1 ZINC001267232918 837037909 /nfs/dbraw/zinc/03/79/09/837037909.db2.gz OZBJKMHVSRGLJW-MRXNPFEDSA-N 1 1 331.416 0.730 20 30 ECEDMO C=CCOc1ccc(CC(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)cc1 ZINC001267232918 837037919 /nfs/dbraw/zinc/03/79/19/837037919.db2.gz OZBJKMHVSRGLJW-MRXNPFEDSA-N 1 1 331.416 0.730 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001267249839 837067601 /nfs/dbraw/zinc/06/76/01/837067601.db2.gz XMOIVQREAOOSTC-WDNDVIMCSA-N 1 1 336.436 0.482 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001267249839 837067606 /nfs/dbraw/zinc/06/76/06/837067606.db2.gz XMOIVQREAOOSTC-WDNDVIMCSA-N 1 1 336.436 0.482 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)Cc1cccnc1C ZINC001267250869 837068703 /nfs/dbraw/zinc/06/87/03/837068703.db2.gz XMXQKYNCKRYQDY-HNNXBMFYSA-N 1 1 330.432 0.509 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)Cc1cccnc1C ZINC001267250869 837068711 /nfs/dbraw/zinc/06/87/11/837068711.db2.gz XMXQKYNCKRYQDY-HNNXBMFYSA-N 1 1 330.432 0.509 20 30 ECEDMO CC[N@H+](CCNC(=O)C12CC(C(F)(F)F)(C1)C2)CC(=O)NCC#N ZINC001267256742 837081644 /nfs/dbraw/zinc/08/16/44/837081644.db2.gz FGAPWVDZKWZDAK-UHFFFAOYSA-N 1 1 346.353 0.797 20 30 ECEDMO CC[N@@H+](CCNC(=O)C12CC(C(F)(F)F)(C1)C2)CC(=O)NCC#N ZINC001267256742 837081648 /nfs/dbraw/zinc/08/16/48/837081648.db2.gz FGAPWVDZKWZDAK-UHFFFAOYSA-N 1 1 346.353 0.797 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cccc2c1CCC2)CC(=O)NCC#N ZINC001267256772 837082100 /nfs/dbraw/zinc/08/21/00/837082100.db2.gz GHTAEOCSELOZSX-UHFFFAOYSA-N 1 1 328.416 0.867 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cccc2c1CCC2)CC(=O)NCC#N ZINC001267256772 837082113 /nfs/dbraw/zinc/08/21/13/837082113.db2.gz GHTAEOCSELOZSX-UHFFFAOYSA-N 1 1 328.416 0.867 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@H]2CNC(=O)CSCC#N)n1 ZINC001267261938 837093669 /nfs/dbraw/zinc/09/36/69/837093669.db2.gz SANCHJGJDGGLQV-AWEZNQCLSA-N 1 1 336.465 0.732 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267275589 837118994 /nfs/dbraw/zinc/11/89/94/837118994.db2.gz XZDJFCAGFOUOFG-HRCADAONSA-N 1 1 336.480 0.600 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001267277273 837119927 /nfs/dbraw/zinc/11/99/27/837119927.db2.gz VKGKHXZTWFPUCF-GJZGRUSLSA-N 1 1 345.447 0.796 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001267277273 837119930 /nfs/dbraw/zinc/11/99/30/837119930.db2.gz VKGKHXZTWFPUCF-GJZGRUSLSA-N 1 1 345.447 0.796 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCCC)c1 ZINC001267277015 837122198 /nfs/dbraw/zinc/12/21/98/837122198.db2.gz XMXHKIWTOMCLOZ-INIZCTEOSA-N 1 1 328.416 0.783 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCCC)c1 ZINC001267277015 837122206 /nfs/dbraw/zinc/12/22/06/837122206.db2.gz XMXHKIWTOMCLOZ-INIZCTEOSA-N 1 1 328.416 0.783 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CC2CC2)C1 ZINC001267286109 837136530 /nfs/dbraw/zinc/13/65/30/837136530.db2.gz VQYPFBOXKKTQCZ-TZMCWYRMSA-N 1 1 336.436 0.625 20 30 ECEDMO C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267289312 837140364 /nfs/dbraw/zinc/14/03/64/837140364.db2.gz YVCSYGCRZMGILH-OLZOCXBDSA-N 1 1 337.424 0.028 20 30 ECEDMO C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267289312 837140371 /nfs/dbraw/zinc/14/03/71/837140371.db2.gz YVCSYGCRZMGILH-OLZOCXBDSA-N 1 1 337.424 0.028 20 30 ECEDMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001267293819 837150199 /nfs/dbraw/zinc/15/01/99/837150199.db2.gz ZNHIBNDYHIIHFN-QWHCGFSZSA-N 1 1 336.436 0.318 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccnn2CC(C)C)C1 ZINC001267295099 837151183 /nfs/dbraw/zinc/15/11/83/837151183.db2.gz QVFATULSSFGCCU-HNNXBMFYSA-N 1 1 347.463 0.893 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001267297611 837154614 /nfs/dbraw/zinc/15/46/14/837154614.db2.gz DKOLWYPNUONXEC-HOTGVXAUSA-N 1 1 347.463 0.883 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(C)nn2CC)C1 ZINC001267302953 837170038 /nfs/dbraw/zinc/17/00/38/837170038.db2.gz JBCIRIFWIJQXGE-LSDHHAIUSA-N 1 1 345.447 0.401 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001267307473 837179892 /nfs/dbraw/zinc/17/98/92/837179892.db2.gz SWUNAUJLETYCRC-LSDHHAIUSA-N 1 1 338.452 0.560 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@H+](CCC)[C@@H]2CCN(C)C2=O)nn1 ZINC001267317747 837193570 /nfs/dbraw/zinc/19/35/70/837193570.db2.gz LBKPDVZBBJNEFU-CQSZACIVSA-N 1 1 334.424 0.137 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CCC)[C@H](C)C(=O)N(C)C)cn1 ZINC001267319970 837197923 /nfs/dbraw/zinc/19/79/23/837197923.db2.gz VNPPGPASQIIDOK-CQSZACIVSA-N 1 1 330.432 0.981 20 30 ECEDMO CC(C)(C)NC(=O)NC(=O)C[N@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001267325041 837202027 /nfs/dbraw/zinc/20/20/27/837202027.db2.gz BBUNGRVSJXGESS-UHFFFAOYSA-N 1 1 348.447 0.605 20 30 ECEDMO CC(C)(C)NC(=O)NC(=O)C[N@@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001267325041 837202038 /nfs/dbraw/zinc/20/20/38/837202038.db2.gz BBUNGRVSJXGESS-UHFFFAOYSA-N 1 1 348.447 0.605 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CCNC(=O)[C@@]1(C)C=CCC1)C1CC1 ZINC001267331615 837212433 /nfs/dbraw/zinc/21/24/33/837212433.db2.gz MJUJRVOTQMPUDB-SFHVURJKSA-N 1 1 348.447 0.935 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCNC(=O)[C@@]1(C)C=CCC1)C1CC1 ZINC001267331615 837212440 /nfs/dbraw/zinc/21/24/40/837212440.db2.gz MJUJRVOTQMPUDB-SFHVURJKSA-N 1 1 348.447 0.935 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)c1ccc2ncn(C)c2n1)C1CC1 ZINC001267333006 837215496 /nfs/dbraw/zinc/21/54/96/837215496.db2.gz OBUFGOSBDOXUME-UHFFFAOYSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cnn(CC)c1C)C1CC1 ZINC001267334785 837217229 /nfs/dbraw/zinc/21/72/29/837217229.db2.gz FRIDZEZIYBGYLA-AWEZNQCLSA-N 1 1 345.447 0.544 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cnn(CC)c1C)C1CC1 ZINC001267334785 837217239 /nfs/dbraw/zinc/21/72/39/837217239.db2.gz FRIDZEZIYBGYLA-AWEZNQCLSA-N 1 1 345.447 0.544 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)c2c[nH]cc2C)CC1 ZINC001299166305 837226713 /nfs/dbraw/zinc/22/67/13/837226713.db2.gz IXHAHWDZKNEJNV-HNNXBMFYSA-N 1 1 328.416 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)c2c[nH]cc2C)CC1 ZINC001299166305 837226721 /nfs/dbraw/zinc/22/67/21/837226721.db2.gz IXHAHWDZKNEJNV-HNNXBMFYSA-N 1 1 328.416 0.799 20 30 ECEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CS(=O)(=O)NC)C2 ZINC001279237412 837237215 /nfs/dbraw/zinc/23/72/15/837237215.db2.gz WZIYQKQBXGEFSX-BTTYYORXSA-N 1 1 329.466 0.471 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1COCCO1)c1ccccc1 ZINC001267350603 837237665 /nfs/dbraw/zinc/23/76/65/837237665.db2.gz GIVQHELFJCEPGR-CVEARBPZSA-N 1 1 347.415 0.151 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)c1ncc[nH]1)c1ccccc1 ZINC001267357616 837246528 /nfs/dbraw/zinc/24/65/28/837246528.db2.gz QEDOIUPZEZWCAF-ZFWWWQNUSA-N 1 1 339.399 0.608 20 30 ECEDMO C[C@@H](C#N)C(=O)N(CCO)CC[NH2+]Cc1nc(-c2ccoc2)no1 ZINC001279672796 837341699 /nfs/dbraw/zinc/34/16/99/837341699.db2.gz MVHKSKRATRBPBW-NSHDSACASA-N 1 1 333.348 0.400 20 30 ECEDMO C=CCOCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001267401459 837343335 /nfs/dbraw/zinc/34/33/35/837343335.db2.gz PWZVFWJBZVAACK-IYBDPMFKSA-N 1 1 333.436 0.936 20 30 ECEDMO C=CCOCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001267401459 837343347 /nfs/dbraw/zinc/34/33/47/837343347.db2.gz PWZVFWJBZVAACK-IYBDPMFKSA-N 1 1 333.436 0.936 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1cccc2c[nH]nc21 ZINC001267412176 837369054 /nfs/dbraw/zinc/36/90/54/837369054.db2.gz RXMCBFVFUNXWRI-LBPRGKRZSA-N 1 1 327.388 0.362 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](C[N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001267580771 837841387 /nfs/dbraw/zinc/84/13/87/837841387.db2.gz CNJIGWWJRLQQDE-AWEZNQCLSA-N 1 1 334.420 0.122 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2cn(C)nc2CC)C1 ZINC001267584562 837856887 /nfs/dbraw/zinc/85/68/87/837856887.db2.gz GAJPIXKKKHWIGU-CQSZACIVSA-N 1 1 345.447 0.126 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC#CCOC)C1 ZINC001267585727 837861566 /nfs/dbraw/zinc/86/15/66/837861566.db2.gz ZUCCIIZRTRFYJB-MSOLQXFVSA-N 1 1 331.460 0.514 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)nc2OC)C1 ZINC001267588577 837871405 /nfs/dbraw/zinc/87/14/05/837871405.db2.gz WNVLCQUIQDSFCG-ZDUSSCGKSA-N 1 1 349.435 0.125 20 30 ECEDMO C=CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267589603 837877622 /nfs/dbraw/zinc/87/76/22/837877622.db2.gz OVGBLMKBUNFBJI-HNNXBMFYSA-N 1 1 336.480 0.411 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001267592631 837886586 /nfs/dbraw/zinc/88/65/86/837886586.db2.gz WDOWPIYDYHWNIM-LBPRGKRZSA-N 1 1 333.367 0.254 20 30 ECEDMO C=CCC[N@H+](C)CC1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001267599501 837912496 /nfs/dbraw/zinc/91/24/96/837912496.db2.gz QWBFKABYTYCLDY-UHFFFAOYSA-N 1 1 334.424 0.124 20 30 ECEDMO C#CC[N@H+](C)CC1CCN(C(=O)c2cnc3c(c2)nnn3C)CC1 ZINC001267600921 837919709 /nfs/dbraw/zinc/91/97/09/837919709.db2.gz WLEBSGJPEIYCAE-UHFFFAOYSA-N 1 1 326.404 0.781 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC001267602602 837927004 /nfs/dbraw/zinc/92/70/04/837927004.db2.gz GTVJYNAAXTUTPM-QGZVFWFLSA-N 1 1 336.436 0.223 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)c2c(OC)ncnc2OC)C1 ZINC001267605344 837941487 /nfs/dbraw/zinc/94/14/87/837941487.db2.gz RVEVMZYTKQTNEF-CYBMUJFWSA-N 1 1 332.404 0.959 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001267614092 837987936 /nfs/dbraw/zinc/98/79/36/837987936.db2.gz BBYPSDRTHOPPJZ-OAHLLOKOSA-N 1 1 336.436 0.022 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001267614092 837987943 /nfs/dbraw/zinc/98/79/43/837987943.db2.gz BBYPSDRTHOPPJZ-OAHLLOKOSA-N 1 1 336.436 0.022 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)COCC2CCCC2)C1 ZINC001267615819 838001328 /nfs/dbraw/zinc/00/13/28/838001328.db2.gz VZOYVSYRCKZEDI-DOTOQJQBSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)COCC2CCCC2)C1 ZINC001267615819 838001339 /nfs/dbraw/zinc/00/13/39/838001339.db2.gz VZOYVSYRCKZEDI-DOTOQJQBSA-N 1 1 349.475 0.912 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001267631563 838089645 /nfs/dbraw/zinc/08/96/45/838089645.db2.gz JDPJYTQWJGVFKL-AWEZNQCLSA-N 1 1 341.415 0.812 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001267631563 838089659 /nfs/dbraw/zinc/08/96/59/838089659.db2.gz JDPJYTQWJGVFKL-AWEZNQCLSA-N 1 1 341.415 0.812 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001267633038 838097024 /nfs/dbraw/zinc/09/70/24/838097024.db2.gz SOLHGDCAILDPEP-ZIAGYGMSSA-N 1 1 333.436 0.803 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001267633038 838097037 /nfs/dbraw/zinc/09/70/37/838097037.db2.gz SOLHGDCAILDPEP-ZIAGYGMSSA-N 1 1 333.436 0.803 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001267633038 838097045 /nfs/dbraw/zinc/09/70/45/838097045.db2.gz SOLHGDCAILDPEP-ZIAGYGMSSA-N 1 1 333.436 0.803 20 30 ECEDMO CCO[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1)C(C)C ZINC001267645882 838131183 /nfs/dbraw/zinc/13/11/83/838131183.db2.gz HNOXODQIETZCOS-GOEBONIOSA-N 1 1 338.452 0.468 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](OC)C2CCC2)C1 ZINC001267670546 838203796 /nfs/dbraw/zinc/20/37/96/838203796.db2.gz OBURDUMPXHQIMY-WMLDXEAASA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)cnn2C)C1 ZINC001267670918 838204651 /nfs/dbraw/zinc/20/46/51/838204651.db2.gz QCAJKGFXSMBYQP-HUUCEWRRSA-N 1 1 345.447 0.260 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H](CC(C)C)OC)C2)C1=O ZINC001267693139 838272305 /nfs/dbraw/zinc/27/23/05/838272305.db2.gz UEOREQHSTFBPNE-HZPDHXFCSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cccc3c2OCC3)C1 ZINC001267693780 838274782 /nfs/dbraw/zinc/27/47/82/838274782.db2.gz QDFFAZMTRINTOO-ZDUSSCGKSA-N 1 1 343.427 0.974 20 30 ECEDMO COCCC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267696469 838285550 /nfs/dbraw/zinc/28/55/50/838285550.db2.gz HDCMOAXSMLPDFQ-AWEZNQCLSA-N 1 1 338.452 0.469 20 30 ECEDMO O=C(CC#Cc1ccccc1)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001267699289 838293636 /nfs/dbraw/zinc/29/36/36/838293636.db2.gz PYUAXRZCZZASDJ-KRWDZBQOSA-N 1 1 325.412 0.755 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)COCCOC ZINC001267711322 838327400 /nfs/dbraw/zinc/32/74/00/838327400.db2.gz RUVZFWNBNLPKIG-JYJNAYRXSA-N 1 1 340.464 0.898 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)COCCOC ZINC001267711322 838327406 /nfs/dbraw/zinc/32/74/06/838327406.db2.gz RUVZFWNBNLPKIG-JYJNAYRXSA-N 1 1 340.464 0.898 20 30 ECEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001267722092 838374438 /nfs/dbraw/zinc/37/44/38/838374438.db2.gz WBXUFQFAABMHQX-HOTGVXAUSA-N 1 1 335.448 0.354 20 30 ECEDMO Cc1ccncc1C(=O)N1CCC(C[N@H+](C)CC(=O)NCC#N)CC1 ZINC001267725362 838393954 /nfs/dbraw/zinc/39/39/54/838393954.db2.gz WRQOHSNUCPXKOY-UHFFFAOYSA-N 1 1 343.431 0.814 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC001267731793 838422424 /nfs/dbraw/zinc/42/24/24/838422424.db2.gz SXUDJCQORGXYAM-STQMWFEESA-N 1 1 339.399 0.505 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC001267731793 838422426 /nfs/dbraw/zinc/42/24/26/838422426.db2.gz SXUDJCQORGXYAM-STQMWFEESA-N 1 1 339.399 0.505 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC#CCOC)CC1 ZINC001267733486 838425601 /nfs/dbraw/zinc/42/56/01/838425601.db2.gz QGRHPDNHEZDXEY-IBGZPJMESA-N 1 1 345.487 0.904 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001267740331 838440002 /nfs/dbraw/zinc/44/00/02/838440002.db2.gz BNXBGGJNDXZKBK-UONOGXRCSA-N 1 1 336.436 0.603 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001267740331 838440005 /nfs/dbraw/zinc/44/00/05/838440005.db2.gz BNXBGGJNDXZKBK-UONOGXRCSA-N 1 1 336.436 0.603 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC001267740759 838442049 /nfs/dbraw/zinc/44/20/49/838442049.db2.gz SISMGMVEMBHRMT-CRAIPNDOSA-N 1 1 331.416 0.803 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCn2ccccc2=O)C1 ZINC001267743344 838445322 /nfs/dbraw/zinc/44/53/22/838445322.db2.gz RFVMPZJVIPHMLO-LSDHHAIUSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCn2ccccc2=O)C1 ZINC001267743344 838445325 /nfs/dbraw/zinc/44/53/25/838445325.db2.gz RFVMPZJVIPHMLO-LSDHHAIUSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001267744542 838447445 /nfs/dbraw/zinc/44/74/45/838447445.db2.gz UMAOJFCYBOQKSO-SMDDNHRTSA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001267744542 838447448 /nfs/dbraw/zinc/44/74/48/838447448.db2.gz UMAOJFCYBOQKSO-SMDDNHRTSA-N 1 1 342.403 0.453 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001267750460 838470294 /nfs/dbraw/zinc/47/02/94/838470294.db2.gz GTMVNIFFDGBWBV-OAHLLOKOSA-N 1 1 343.427 0.842 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001267750460 838470296 /nfs/dbraw/zinc/47/02/96/838470296.db2.gz GTMVNIFFDGBWBV-OAHLLOKOSA-N 1 1 343.427 0.842 20 30 ECEDMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001267759563 838485521 /nfs/dbraw/zinc/48/55/21/838485521.db2.gz LADYVDJTUMCWTO-STQMWFEESA-N 1 1 330.454 0.008 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001267767221 838503457 /nfs/dbraw/zinc/50/34/57/838503457.db2.gz NGDBJLOYMKMENS-HZPDHXFCSA-N 1 1 330.432 0.628 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001267767583 838504155 /nfs/dbraw/zinc/50/41/55/838504155.db2.gz HVVVGOCZQZHSBT-QBYUYEEZSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001267767583 838504156 /nfs/dbraw/zinc/50/41/56/838504156.db2.gz HVVVGOCZQZHSBT-QBYUYEEZSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2(C(F)(F)F)CC2)C1 ZINC001267772132 838525964 /nfs/dbraw/zinc/52/59/64/838525964.db2.gz ARFMJFCPZXMMRG-NSHDSACASA-N 1 1 331.338 0.611 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C(F)(F)F)CC2)C1 ZINC001267772132 838525968 /nfs/dbraw/zinc/52/59/68/838525968.db2.gz ARFMJFCPZXMMRG-NSHDSACASA-N 1 1 331.338 0.611 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001267773777 838535186 /nfs/dbraw/zinc/53/51/86/838535186.db2.gz QDBMGJOTUMALKB-HUUCEWRRSA-N 1 1 338.452 0.078 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001267773777 838535189 /nfs/dbraw/zinc/53/51/89/838535189.db2.gz QDBMGJOTUMALKB-HUUCEWRRSA-N 1 1 338.452 0.078 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001267777235 838542451 /nfs/dbraw/zinc/54/24/51/838542451.db2.gz LKKZYMMYBNAYHY-NSHDSACASA-N 1 1 333.354 1.000 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)NC(=O)C(F)(F)F)C1 ZINC001267777235 838542455 /nfs/dbraw/zinc/54/24/55/838542455.db2.gz LKKZYMMYBNAYHY-NSHDSACASA-N 1 1 333.354 1.000 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)NC(=O)C(F)(F)F)C1 ZINC001267777235 838542459 /nfs/dbraw/zinc/54/24/59/838542459.db2.gz LKKZYMMYBNAYHY-NSHDSACASA-N 1 1 333.354 1.000 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)CCOC2CCOCC2)C1 ZINC001267777360 838543884 /nfs/dbraw/zinc/54/38/84/838543884.db2.gz QGPLLILKYCZPMS-INIZCTEOSA-N 1 1 338.448 0.755 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)CCOC2CCOCC2)C1 ZINC001267777360 838543892 /nfs/dbraw/zinc/54/38/92/838543892.db2.gz QGPLLILKYCZPMS-INIZCTEOSA-N 1 1 338.448 0.755 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](OCC)C2CC2)C1 ZINC001267785919 838562307 /nfs/dbraw/zinc/56/23/07/838562307.db2.gz ISDKSELBOQYAFG-NVXWUHKLSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](OCC)C2CC2)C1 ZINC001267785919 838562312 /nfs/dbraw/zinc/56/23/12/838562312.db2.gz ISDKSELBOQYAFG-NVXWUHKLSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CCc2nccn2C)C1 ZINC001267787481 838565023 /nfs/dbraw/zinc/56/50/23/838565023.db2.gz CTPZMCNZTDNFSL-OAHLLOKOSA-N 1 1 345.447 0.025 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2nccn2C)C1 ZINC001267787481 838565026 /nfs/dbraw/zinc/56/50/26/838565026.db2.gz CTPZMCNZTDNFSL-OAHLLOKOSA-N 1 1 345.447 0.025 20 30 ECEDMO C=CCNC(=O)[C@@H](C)N1CC[C@H](N(CC)C(=O)c2[nH]nnc2C)C1 ZINC001267788145 838565652 /nfs/dbraw/zinc/56/56/52/838565652.db2.gz QVPAQMRKXVDJDV-OLZOCXBDSA-N 1 1 334.424 0.340 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2n[nH]nc2C)C1 ZINC001267788145 838565657 /nfs/dbraw/zinc/56/56/57/838565657.db2.gz QVPAQMRKXVDJDV-OLZOCXBDSA-N 1 1 334.424 0.340 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2n[nH]nc2C)C1 ZINC001267788145 838565661 /nfs/dbraw/zinc/56/56/61/838565661.db2.gz QVPAQMRKXVDJDV-OLZOCXBDSA-N 1 1 334.424 0.340 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1cccc2nc(C)[nH]c21 ZINC001267827054 838622491 /nfs/dbraw/zinc/62/24/91/838622491.db2.gz PGXSSHGFJNXHNQ-ZDUSSCGKSA-N 1 1 341.415 0.719 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCOC[C@@H]1C)CC2 ZINC001268045511 839208159 /nfs/dbraw/zinc/20/81/59/839208159.db2.gz BWLXDTOYZKAIBD-HOTGVXAUSA-N 1 1 349.475 0.886 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[C@@H]1CCC(=O)N1)CC2 ZINC001268045857 839210190 /nfs/dbraw/zinc/21/01/90/839210190.db2.gz LAIRMTFTWVTDJN-CVEARBPZSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1CC(F)(F)F ZINC001268058349 839242934 /nfs/dbraw/zinc/24/29/34/839242934.db2.gz AOBABURLTXXGNT-NSHDSACASA-N 1 1 346.357 0.975 20 30 ECEDMO CNC(=O)NC(=O)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000051852250 214106961 /nfs/dbraw/zinc/10/69/61/214106961.db2.gz XZNVCGMGJQFHFN-UHFFFAOYSA-N 1 1 329.404 0.916 20 30 ECEDMO CN(C)C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000330628728 282379717 /nfs/dbraw/zinc/37/97/17/282379717.db2.gz ZOKNJYNOFKSTFZ-UHFFFAOYSA-N 1 1 327.429 0.757 20 30 ECEDMO CN(C)C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000330628728 282379718 /nfs/dbraw/zinc/37/97/18/282379718.db2.gz ZOKNJYNOFKSTFZ-UHFFFAOYSA-N 1 1 327.429 0.757 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(CC[N@H+](CC(=O)NC)C3)C2)c1 ZINC001041660382 781941998 /nfs/dbraw/zinc/94/19/98/781941998.db2.gz OJOMFYSDYFUQQW-SFHVURJKSA-N 1 1 326.400 0.347 20 30 ECEDMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000176009318 207673529 /nfs/dbraw/zinc/67/35/29/207673529.db2.gz AWYXXWYQWPROOL-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C ZINC000329589336 285019617 /nfs/dbraw/zinc/01/96/17/285019617.db2.gz NEKQBLZAJOQYSE-PRBDWKGHSA-N 1 1 331.482 0.853 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)Cc2c(F)cccc2C#N)CC[N@@H+](C)C1 ZINC000413908284 208372275 /nfs/dbraw/zinc/37/22/75/208372275.db2.gz URADQCXBDYWUTE-ZDUSSCGKSA-N 1 1 333.363 0.803 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)N(CCC#N)CCOC ZINC000337085439 285200293 /nfs/dbraw/zinc/20/02/93/285200293.db2.gz DIJWXSGKTXRKQW-CQSZACIVSA-N 1 1 332.470 0.557 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 ZINC000064443785 254484740 /nfs/dbraw/zinc/48/47/40/254484740.db2.gz DVNRITCTQNLLMJ-UHFFFAOYSA-N 1 1 349.456 0.475 20 30 ECEDMO CNC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000077397661 296620735 /nfs/dbraw/zinc/62/07/35/296620735.db2.gz VZRRZUSJXDGTOK-HNNXBMFYSA-N 1 1 340.383 0.648 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2Br)C1 ZINC001077953985 782006021 /nfs/dbraw/zinc/00/60/21/782006021.db2.gz XDTDQJWSETVKNH-GHMZBOCLSA-N 1 1 327.178 0.840 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2Br)C1 ZINC001077953985 782006028 /nfs/dbraw/zinc/00/60/28/782006028.db2.gz XDTDQJWSETVKNH-GHMZBOCLSA-N 1 1 327.178 0.840 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC[N@@H+]1C[C@H](C)O ZINC000330413377 287204099 /nfs/dbraw/zinc/20/40/99/287204099.db2.gz ZRKNJKQRRNVDRR-SOUVJXGZSA-N 1 1 346.497 0.490 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC[N@H+]1C[C@H](C)O ZINC000330413377 287204101 /nfs/dbraw/zinc/20/41/01/287204101.db2.gz ZRKNJKQRRNVDRR-SOUVJXGZSA-N 1 1 346.497 0.490 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 ZINC000540971820 420622536 /nfs/dbraw/zinc/62/25/36/420622536.db2.gz OTBZFTVTRNBCGA-GFCCVEGCSA-N 1 1 349.439 0.158 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)nn1 ZINC000491167373 421164830 /nfs/dbraw/zinc/16/48/30/421164830.db2.gz XTDLXANRHTXWRX-UHFFFAOYSA-N 1 1 333.392 0.274 20 30 ECEDMO C[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccc(C#N)cc1 ZINC000271686735 263323026 /nfs/dbraw/zinc/32/30/26/263323026.db2.gz QLNFSRNHSYBCFC-JTQLQIEISA-N 1 1 341.371 0.071 20 30 ECEDMO CNS(=O)(=O)CCC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344097965 270006269 /nfs/dbraw/zinc/00/62/69/270006269.db2.gz CVDUJHIOBMDAFB-UHFFFAOYSA-N 1 1 325.434 0.946 20 30 ECEDMO N#Cc1nc(N)n(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC000298318736 265240853 /nfs/dbraw/zinc/24/08/53/265240853.db2.gz ZAFDMKQGDFPSLB-UHFFFAOYSA-N 1 1 349.398 0.553 20 30 ECEDMO CCN1C(=O)[C@@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CCN2C1=O ZINC000369398897 266142310 /nfs/dbraw/zinc/14/23/10/266142310.db2.gz QUDUDSZDXMOMRQ-HNNXBMFYSA-N 1 1 328.372 0.905 20 30 ECEDMO CCS(=O)(=O)NCCC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000330422699 266339527 /nfs/dbraw/zinc/33/95/27/266339527.db2.gz SKGCHEMOOSKBNU-UHFFFAOYSA-N 1 1 337.449 0.405 20 30 ECEDMO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCc1cccc(C#N)c1 ZINC000356335150 266509324 /nfs/dbraw/zinc/50/93/24/266509324.db2.gz JQRYALVRKGZAEF-UHFFFAOYSA-N 1 1 333.417 0.742 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000362899926 267045905 /nfs/dbraw/zinc/04/59/05/267045905.db2.gz FPDGPZUMTRPQKD-HZSPNIEDSA-N 1 1 328.420 0.583 20 30 ECEDMO C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000364920089 267164738 /nfs/dbraw/zinc/16/47/38/267164738.db2.gz YDGZNWWFHGZRDH-GFCCVEGCSA-N 1 1 341.408 0.775 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000364920089 267164742 /nfs/dbraw/zinc/16/47/42/267164742.db2.gz YDGZNWWFHGZRDH-GFCCVEGCSA-N 1 1 341.408 0.775 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373444389 267226822 /nfs/dbraw/zinc/22/68/22/267226822.db2.gz VXKXCRYSOJSBJY-SWLSCSKDSA-N 1 1 343.435 0.979 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCOC(=O)NC(N)=O ZINC000271384873 267240054 /nfs/dbraw/zinc/24/00/54/267240054.db2.gz PVPLMGZFNLBMPN-NSHDSACASA-N 1 1 347.379 0.054 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCOC(=O)NC(N)=O ZINC000271384873 267240059 /nfs/dbraw/zinc/24/00/59/267240059.db2.gz PVPLMGZFNLBMPN-NSHDSACASA-N 1 1 347.379 0.054 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000295476764 268032131 /nfs/dbraw/zinc/03/21/31/268032131.db2.gz NTRWDTZRGSDVMM-MRXNPFEDSA-N 1 1 344.415 0.251 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)c1C#N ZINC000527553694 268101092 /nfs/dbraw/zinc/10/10/92/268101092.db2.gz OQYHNEVUYZHTQF-BXUZGUMPSA-N 1 1 349.460 0.691 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)c1C#N ZINC000527553694 268101094 /nfs/dbraw/zinc/10/10/94/268101094.db2.gz OQYHNEVUYZHTQF-BXUZGUMPSA-N 1 1 349.460 0.691 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000363438938 268177388 /nfs/dbraw/zinc/17/73/88/268177388.db2.gz WYINYANBFJPJAA-CVEARBPZSA-N 1 1 344.415 0.788 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)nc1 ZINC000329327718 268181356 /nfs/dbraw/zinc/18/13/56/268181356.db2.gz URBXOCCUWBFNST-HZPDHXFCSA-N 1 1 341.415 0.323 20 30 ECEDMO N#Cc1ccc(CC(=O)N2CCC[C@@H](C[N@@H+]3CC[C@H](O)C3)C2)cn1 ZINC000529399834 268215069 /nfs/dbraw/zinc/21/50/69/268215069.db2.gz RAESMUBHXXUFRM-RDJZCZTQSA-N 1 1 328.416 0.801 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000365320052 268263529 /nfs/dbraw/zinc/26/35/29/268263529.db2.gz MXSMYMJKLDOKIU-CABCVRRESA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000333117181 268265134 /nfs/dbraw/zinc/26/51/34/268265134.db2.gz GOLYMDPXVFGGIV-QGZVFWFLSA-N 1 1 341.371 0.561 20 30 ECEDMO N#Cc1cccc(OCCC[N@@H+]2CCCN(S(N)(=O)=O)CC2)c1 ZINC000366244230 268272530 /nfs/dbraw/zinc/27/25/30/268272530.db2.gz YCCMWARZRWKWQW-UHFFFAOYSA-N 1 1 338.433 0.538 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000528475544 268296365 /nfs/dbraw/zinc/29/63/65/268296365.db2.gz KPJKKLAWDHUOTD-HNNXBMFYSA-N 1 1 327.388 0.843 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000528424215 268296817 /nfs/dbraw/zinc/29/68/17/268296817.db2.gz YFNFARJKQONKHZ-SJORKVTESA-N 1 1 331.416 0.704 20 30 ECEDMO N#Cc1cc(N2CC[NH2+][C@@H](C(N)=O)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000442622404 274920396 /nfs/dbraw/zinc/92/03/96/274920396.db2.gz OOPQRLMUYJJPLE-CYBMUJFWSA-N 1 1 326.316 0.278 20 30 ECEDMO COC(=O)[C@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CC[N@H+](C)C1 ZINC000416575319 277362447 /nfs/dbraw/zinc/36/24/47/277362447.db2.gz AOAPBOTVHYTZRX-GFCCVEGCSA-N 1 1 331.438 0.293 20 30 ECEDMO COC(=O)[C@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CC[N@@H+](C)C1 ZINC000416575319 277362448 /nfs/dbraw/zinc/36/24/48/277362448.db2.gz AOAPBOTVHYTZRX-GFCCVEGCSA-N 1 1 331.438 0.293 20 30 ECEDMO C[C@H](CC#N)N(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000330723465 437599495 /nfs/dbraw/zinc/59/94/95/437599495.db2.gz YYONFXNZTJIABK-CABCVRRESA-N 1 1 336.436 0.460 20 30 ECEDMO O=C1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCN1CC(F)(F)F ZINC000329234113 280262471 /nfs/dbraw/zinc/26/24/71/280262471.db2.gz MMIJNZMMIVZNGB-JTQLQIEISA-N 1 1 345.325 0.818 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](CC(C)(C)O)C2CC2)CC1 ZINC000189891998 437611371 /nfs/dbraw/zinc/61/13/71/437611371.db2.gz HYYDFZUNAQHUTA-INIZCTEOSA-N 1 1 336.480 0.914 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001077977596 782058027 /nfs/dbraw/zinc/05/80/27/782058027.db2.gz FYJFTVKDDUDNTG-HZPDHXFCSA-N 1 1 345.447 0.818 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000330806245 437620384 /nfs/dbraw/zinc/62/03/84/437620384.db2.gz CGSVGRDYGRYYNP-AWEZNQCLSA-N 1 1 340.468 0.811 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)C[NH3+])cc1 ZINC000190244191 437621459 /nfs/dbraw/zinc/62/14/59/437621459.db2.gz VSSWTKGXTAMYES-UHFFFAOYSA-N 1 1 333.360 0.475 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)C[N@H+]1C1CC1 ZINC000329287298 297320282 /nfs/dbraw/zinc/32/02/82/297320282.db2.gz PBHLOPDBXPNSFW-GDLVEWKHSA-N 1 1 335.408 0.356 20 30 ECEDMO N#Cc1ccc(N2CCC[N@H+](C[C@H](O)CN3CCOCC3)CC2)cc1 ZINC000076199693 436193723 /nfs/dbraw/zinc/19/37/23/436193723.db2.gz TUKRNQRFJLYLTL-IBGZPJMESA-N 1 1 344.459 0.763 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](C)CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000091220055 436445581 /nfs/dbraw/zinc/44/55/81/436445581.db2.gz VAOPJHWLFIHULQ-CQSZACIVSA-N 1 1 329.466 0.550 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CCCC[N@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000091219595 436446104 /nfs/dbraw/zinc/44/61/04/436446104.db2.gz KZPGBWIJCFCZED-HUUCEWRRSA-N 1 1 341.477 0.693 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000091219595 436446108 /nfs/dbraw/zinc/44/61/08/436446108.db2.gz KZPGBWIJCFCZED-HUUCEWRRSA-N 1 1 341.477 0.693 20 30 ECEDMO CNC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000089563692 436414340 /nfs/dbraw/zinc/41/43/40/436414340.db2.gz DHYWXODOXGVVOI-UHFFFAOYSA-N 1 1 329.404 0.522 20 30 ECEDMO C[N@H+](Cc1cnc2ccc(C#N)cn12)C[C@H](O)CN1CCOCC1 ZINC000093583363 436488742 /nfs/dbraw/zinc/48/87/42/436488742.db2.gz YUBIDMPXTYLFFB-INIZCTEOSA-N 1 1 329.404 0.331 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000055209119 436568045 /nfs/dbraw/zinc/56/80/45/436568045.db2.gz DDLHZUZDGCZTJE-HNNXBMFYSA-N 1 1 349.456 0.812 20 30 ECEDMO CCc1nn(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)c(C#N)c1CC ZINC000106363332 436593978 /nfs/dbraw/zinc/59/39/78/436593978.db2.gz CGPDCTHGBSKHFS-MJBXVCDLSA-N 1 1 348.447 0.710 20 30 ECEDMO CCc1nn(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)c(C#N)c1CC ZINC000106363332 436593981 /nfs/dbraw/zinc/59/39/81/436593981.db2.gz CGPDCTHGBSKHFS-MJBXVCDLSA-N 1 1 348.447 0.710 20 30 ECEDMO CC[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000107892462 436615053 /nfs/dbraw/zinc/61/50/53/436615053.db2.gz DHMWSTLJLKQUFH-INIZCTEOSA-N 1 1 349.456 0.931 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231168 436630873 /nfs/dbraw/zinc/63/08/73/436630873.db2.gz FPYSFXHRBGKFIY-IRXDYDNUSA-N 1 1 335.496 0.849 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NCC)cc2)CC1 ZINC000064442352 436649231 /nfs/dbraw/zinc/64/92/31/436649231.db2.gz ROZCCHMNHDMRPG-UHFFFAOYSA-N 1 1 349.456 0.766 20 30 ECEDMO C=CCNC(=O)CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000271951146 436698902 /nfs/dbraw/zinc/69/89/02/436698902.db2.gz DOGTYQUBUBEOOU-UHFFFAOYSA-N 1 1 336.461 0.920 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000120879075 436700987 /nfs/dbraw/zinc/70/09/87/436700987.db2.gz UBYJQMIEPQYRDW-ZDUSSCGKSA-N 1 1 330.388 0.581 20 30 ECEDMO COc1ccc(CNC(=[NH2+])NC[C@H]2CN3CCN2CC3)cc1OC ZINC000269507000 436667274 /nfs/dbraw/zinc/66/72/74/436667274.db2.gz ZISSFACQHGEZNS-AWEZNQCLSA-N 1 1 333.436 0.108 20 30 ECEDMO C#CCSCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000141861044 436672055 /nfs/dbraw/zinc/67/20/55/436672055.db2.gz YFMYDUPZQUYXBK-CQSZACIVSA-N 1 1 338.477 0.301 20 30 ECEDMO COCCC[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000066378628 436684027 /nfs/dbraw/zinc/68/40/27/436684027.db2.gz NMLKPCVDNLDTNA-UHFFFAOYSA-N 1 1 335.408 0.472 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1 ZINC000068445150 436745240 /nfs/dbraw/zinc/74/52/40/436745240.db2.gz OUYRFZZTHKRSQH-UHFFFAOYSA-N 1 1 338.411 0.954 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249405426 436820492 /nfs/dbraw/zinc/82/04/92/436820492.db2.gz UHJALELYAJOKCS-CHWSQXEVSA-N 1 1 326.441 0.164 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000245901371 436769525 /nfs/dbraw/zinc/76/95/25/436769525.db2.gz LFRGWGTURANOEL-CABCVRRESA-N 1 1 340.468 0.819 20 30 ECEDMO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(C)(C)CCC#N ZINC000160611855 436874417 /nfs/dbraw/zinc/87/44/17/436874417.db2.gz DEEONRGYJLQKKI-ZDUSSCGKSA-N 1 1 329.466 0.942 20 30 ECEDMO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(C)(C)CCC#N ZINC000160611855 436874421 /nfs/dbraw/zinc/87/44/21/436874421.db2.gz DEEONRGYJLQKKI-ZDUSSCGKSA-N 1 1 329.466 0.942 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000293270111 436862952 /nfs/dbraw/zinc/86/29/52/436862952.db2.gz FQAKONMOUUJGPL-UHFFFAOYSA-N 1 1 331.372 0.734 20 30 ECEDMO C[C@H](CNC(=O)CNc1cccc(C#N)c1)CN1CC[NH+](C)CC1 ZINC000160485611 436873012 /nfs/dbraw/zinc/87/30/12/436873012.db2.gz WIWDVZLHHVOMPE-OAHLLOKOSA-N 1 1 329.448 0.970 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000293390068 436873220 /nfs/dbraw/zinc/87/32/20/436873220.db2.gz NNBUYNPHIBERBH-UHFFFAOYSA-N 1 1 339.399 0.882 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129114110 436824708 /nfs/dbraw/zinc/82/47/08/436824708.db2.gz WUEOSSYMGMSZKF-MRXNPFEDSA-N 1 1 333.436 0.296 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129114110 436824709 /nfs/dbraw/zinc/82/47/09/436824709.db2.gz WUEOSSYMGMSZKF-MRXNPFEDSA-N 1 1 333.436 0.296 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000129951104 436831870 /nfs/dbraw/zinc/83/18/70/436831870.db2.gz GVVHWBRJROYKTP-HUUCEWRRSA-N 1 1 349.479 0.241 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000293946878 436922411 /nfs/dbraw/zinc/92/24/11/436922411.db2.gz JPJRXTVGLIQXBW-UHFFFAOYSA-N 1 1 332.360 0.396 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000293962830 436923195 /nfs/dbraw/zinc/92/31/95/436923195.db2.gz LEJWNGVFNQBREH-UHFFFAOYSA-N 1 1 334.420 0.312 20 30 ECEDMO C[NH+]=C(NCC(=O)N(C)C)NC1CCN(Cc2ccccn2)CC1 ZINC000262329711 436924786 /nfs/dbraw/zinc/92/47/86/436924786.db2.gz UTXSGCBBDPGYDM-UHFFFAOYSA-N 1 1 332.452 0.299 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1F ZINC000293449859 436877955 /nfs/dbraw/zinc/87/79/55/436877955.db2.gz SLXLBDUIQHCTRG-UHFFFAOYSA-N 1 1 349.362 0.622 20 30 ECEDMO C[NH+]=C(NC[C@@H](C)N(C)C1CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261800715 436890622 /nfs/dbraw/zinc/89/06/22/436890622.db2.gz RSXINKZDPOKWMR-CYBMUJFWSA-N 1 1 347.467 0.127 20 30 ECEDMO N#CCCOCC[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000293597733 436891724 /nfs/dbraw/zinc/89/17/24/436891724.db2.gz UWOIJHOSERVEQH-UHFFFAOYSA-N 1 1 330.432 0.851 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134894672 436906594 /nfs/dbraw/zinc/90/65/94/436906594.db2.gz XUVSVLYYPFJQAK-IEBWSBKVSA-N 1 1 344.503 0.713 20 30 ECEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000263698777 436978608 /nfs/dbraw/zinc/97/86/08/436978608.db2.gz FKMXBUPRYFJNGH-GFCCVEGCSA-N 1 1 333.436 0.878 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccccc1OCC(=O)N(C)C ZINC000294046406 436930859 /nfs/dbraw/zinc/93/08/59/436930859.db2.gz SYQYXHUROSXEJF-UHFFFAOYSA-N 1 1 331.416 0.839 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000294064305 436932720 /nfs/dbraw/zinc/93/27/20/436932720.db2.gz VGWBMVOFAWDDJS-HUUCEWRRSA-N 1 1 330.388 0.029 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NC2C[NH+](C(C)C)C2)c1 ZINC000275219073 436942189 /nfs/dbraw/zinc/94/21/89/436942189.db2.gz KRTHBEIGEADCQJ-UHFFFAOYSA-N 1 1 337.445 0.973 20 30 ECEDMO COC(=O)[C@@H]1C[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000281302094 436961287 /nfs/dbraw/zinc/96/12/87/436961287.db2.gz YQOIJRQIYDWIIZ-DFBGVHRSSA-N 1 1 341.367 0.931 20 30 ECEDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000281302094 436961290 /nfs/dbraw/zinc/96/12/90/436961290.db2.gz YQOIJRQIYDWIIZ-DFBGVHRSSA-N 1 1 341.367 0.931 20 30 ECEDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000275637548 436993662 /nfs/dbraw/zinc/99/36/62/436993662.db2.gz KBGPVRXUBMHNOF-ZDUSSCGKSA-N 1 1 327.381 0.696 20 30 ECEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000275637548 436993664 /nfs/dbraw/zinc/99/36/64/436993664.db2.gz KBGPVRXUBMHNOF-ZDUSSCGKSA-N 1 1 327.381 0.696 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CC[C@H](C)O)CC2)o1 ZINC000173572588 437058863 /nfs/dbraw/zinc/05/88/63/437058863.db2.gz MYRCKVYJVRKQHK-LBPRGKRZSA-N 1 1 335.408 0.206 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000299372361 437074576 /nfs/dbraw/zinc/07/45/76/437074576.db2.gz IZEGXYLELGSVOP-CQSZACIVSA-N 1 1 343.493 0.931 20 30 ECEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276281410 437082797 /nfs/dbraw/zinc/08/27/97/437082797.db2.gz FMFGNXPZGLDRPL-RFAUZJTJSA-N 1 1 336.779 0.461 20 30 ECEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276281410 437082801 /nfs/dbraw/zinc/08/28/01/437082801.db2.gz FMFGNXPZGLDRPL-RFAUZJTJSA-N 1 1 336.779 0.461 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000264838123 437092288 /nfs/dbraw/zinc/09/22/88/437092288.db2.gz MMDMLHIZDCXDIR-CYBMUJFWSA-N 1 1 349.822 0.512 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000176586475 437147949 /nfs/dbraw/zinc/14/79/49/437147949.db2.gz NUZWGWPDVPTPNV-UHFFFAOYSA-N 1 1 329.466 0.855 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000302892704 437154373 /nfs/dbraw/zinc/15/43/73/437154373.db2.gz BPLQUZAREZFFHO-UHFFFAOYSA-N 1 1 346.431 0.699 20 30 ECEDMO CCOC(=O)N1CCC(NC(=[NH2+])NCCN(CC)C2CC2)CC1 ZINC000303991773 437157325 /nfs/dbraw/zinc/15/73/25/437157325.db2.gz ZZQQHVKRHLBODX-UHFFFAOYSA-N 1 1 325.457 0.996 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000331818120 437163908 /nfs/dbraw/zinc/16/39/08/437163908.db2.gz GYFMEUIYFXCRBC-ZNMIVQPWSA-N 1 1 333.436 0.627 20 30 ECEDMO CC(C)[C@H](C(=O)NCCn1cnc(C#N)n1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000286878876 437140189 /nfs/dbraw/zinc/14/01/89/437140189.db2.gz NZHWQFMLGDPYAS-UMVBOHGHSA-N 1 1 334.424 0.400 20 30 ECEDMO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)S(C)(=O)=O ZINC000316768697 437189840 /nfs/dbraw/zinc/18/98/40/437189840.db2.gz WMLNKTDWABRANP-UHFFFAOYSA-N 1 1 344.458 0.745 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000331984041 437191557 /nfs/dbraw/zinc/19/15/57/437191557.db2.gz MSOFLOJZSILACT-MNOVXSKESA-N 1 1 329.422 0.225 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000331984041 437191558 /nfs/dbraw/zinc/19/15/58/437191558.db2.gz MSOFLOJZSILACT-MNOVXSKESA-N 1 1 329.422 0.225 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000332354303 437215424 /nfs/dbraw/zinc/21/54/24/437215424.db2.gz RYCNHGFEPKPYPC-FUHWJXTLSA-N 1 1 336.480 0.916 20 30 ECEDMO N#CCCn1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC000277426712 437219197 /nfs/dbraw/zinc/21/91/97/437219197.db2.gz FWCHPXTYPIDKAK-CQSZACIVSA-N 1 1 344.419 0.868 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[N@@H+](C)C1 ZINC000332417578 437221582 /nfs/dbraw/zinc/22/15/82/437221582.db2.gz NZWLWRQDBQIDKW-GJZGRUSLSA-N 1 1 329.404 0.321 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000266566416 437225598 /nfs/dbraw/zinc/22/55/98/437225598.db2.gz ODBDVLFVSGBYJB-UHFFFAOYSA-N 1 1 341.459 0.371 20 30 ECEDMO COC(=O)CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CCCO1 ZINC000325380237 437227958 /nfs/dbraw/zinc/22/79/58/437227958.db2.gz NEIIRPVQMLERKE-WMLDXEAASA-N 1 1 337.420 0.839 20 30 ECEDMO COC(=O)CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CCCO1 ZINC000325380237 437227959 /nfs/dbraw/zinc/22/79/59/437227959.db2.gz NEIIRPVQMLERKE-WMLDXEAASA-N 1 1 337.420 0.839 20 30 ECEDMO C[C@@H](NC(=O)C[N@@H+](C)CC1(O)CCOCC1)C(=O)N1CCCCC1 ZINC000328613469 437240265 /nfs/dbraw/zinc/24/02/65/437240265.db2.gz QJVHKGKHNHYILL-CQSZACIVSA-N 1 1 341.452 0.817 20 30 ECEDMO C[C@H](C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCSCC1 ZINC000328743409 437258831 /nfs/dbraw/zinc/25/88/31/437258831.db2.gz OLTGYLBUJQNMHR-VXGBXAGGSA-N 1 1 335.495 0.662 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)n1cnc(C#N)n1 ZINC000336895946 437306587 /nfs/dbraw/zinc/30/65/87/437306587.db2.gz NAOIMJHXMNAIRY-KBXIAJHMSA-N 1 1 346.435 0.811 20 30 ECEDMO C=CCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000288297125 437307367 /nfs/dbraw/zinc/30/73/67/437307367.db2.gz RGKYESWZEPCWLM-MRXNPFEDSA-N 1 1 344.459 0.958 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC1 ZINC000181289770 437315007 /nfs/dbraw/zinc/31/50/07/437315007.db2.gz DBPGCPHJYUEDPF-UHFFFAOYSA-N 1 1 343.431 0.903 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)NCC2CCN(C(C)=O)CC2)[N@@H+](C)C1 ZINC000329120456 437320625 /nfs/dbraw/zinc/32/06/25/437320625.db2.gz KEDYCNVJWBWNSA-HOTGVXAUSA-N 1 1 340.468 0.810 20 30 ECEDMO O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000328923432 437286316 /nfs/dbraw/zinc/28/63/16/437286316.db2.gz CYHNHBUJUOWNIM-NEPJUHHUSA-N 1 1 348.369 0.886 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[N@H+](C3CC3)CC2)CC1 ZINC000180593909 437296834 /nfs/dbraw/zinc/29/68/34/437296834.db2.gz SNOJEIMZCMTBST-SFHVURJKSA-N 1 1 347.507 0.849 20 30 ECEDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C([O-])=[NH+][C@@H]1CCc2ncnn2C1 ZINC000329272009 437343919 /nfs/dbraw/zinc/34/39/19/437343919.db2.gz IIVLUTIBYBUVDZ-MCIONIFRSA-N 1 1 334.424 0.302 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC[N@H+]1C ZINC000329291867 437347667 /nfs/dbraw/zinc/34/76/67/437347667.db2.gz QZDAHCDGMLVETE-CBBWQLFWSA-N 1 1 339.436 0.832 20 30 ECEDMO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)O1 ZINC000329336269 437353975 /nfs/dbraw/zinc/35/39/75/437353975.db2.gz LRLUTYLEGFEQFV-UONOGXRCSA-N 1 1 340.468 0.605 20 30 ECEDMO N#Cc1ccnc(N2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)c1 ZINC000268014956 437354505 /nfs/dbraw/zinc/35/45/05/437354505.db2.gz IMTGUDDJOIINEZ-INIZCTEOSA-N 1 1 346.431 0.632 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C)c1 ZINC000288837158 437360113 /nfs/dbraw/zinc/36/01/13/437360113.db2.gz PEPOPGLLAFVCIU-UHFFFAOYSA-N 1 1 330.432 0.606 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NCCCN(C)CC[NH+](C)C)c1 ZINC000288837158 437360119 /nfs/dbraw/zinc/36/01/19/437360119.db2.gz PEPOPGLLAFVCIU-UHFFFAOYSA-N 1 1 330.432 0.606 20 30 ECEDMO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)C1 ZINC000329450710 437371569 /nfs/dbraw/zinc/37/15/69/437371569.db2.gz MVULRSOVCYOXQR-MLGOLLRUSA-N 1 1 337.424 0.463 20 30 ECEDMO C[C@@H](CNC(=O)N(C)CC(=O)N1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000329493772 437374748 /nfs/dbraw/zinc/37/47/48/437374748.db2.gz WQKWCNULCGRMIR-CABCVRRESA-N 1 1 340.468 0.811 20 30 ECEDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000337067593 437325654 /nfs/dbraw/zinc/32/56/54/437325654.db2.gz LSRLYNOOSQYEGU-CYBMUJFWSA-N 1 1 327.410 0.031 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C1 ZINC000329156568 437326458 /nfs/dbraw/zinc/32/64/58/437326458.db2.gz VSZOLGNGBHHHOG-YCPHGPKFSA-N 1 1 327.425 0.549 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000337148030 437336678 /nfs/dbraw/zinc/33/66/78/437336678.db2.gz GTEWCCBDSYYRIU-ZIAGYGMSSA-N 1 1 328.438 0.062 20 30 ECEDMO C[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329704353 437402695 /nfs/dbraw/zinc/40/26/95/437402695.db2.gz JIWDIHHNCZNQPW-LBPRGKRZSA-N 1 1 330.454 0.128 20 30 ECEDMO CC(=O)NCC[N@@H+](CC(=O)NC1(C#N)CCC1)C1CCSCC1 ZINC000338587888 437413829 /nfs/dbraw/zinc/41/38/29/437413829.db2.gz QMDUYHTUCMGFKC-UHFFFAOYSA-N 1 1 338.477 0.883 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCOCCC#N)CC1 ZINC000338955937 437428444 /nfs/dbraw/zinc/42/84/44/437428444.db2.gz ZKHAABWVBDEJNL-UHFFFAOYSA-N 1 1 325.409 0.650 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCOCCC#N)CC1 ZINC000338955937 437428450 /nfs/dbraw/zinc/42/84/50/437428450.db2.gz ZKHAABWVBDEJNL-UHFFFAOYSA-N 1 1 325.409 0.650 20 30 ECEDMO C[C@@H]1CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CCS1(=O)=O ZINC000329905834 437428706 /nfs/dbraw/zinc/42/87/06/437428706.db2.gz JTVAQCHDHDCFJK-NEPJUHHUSA-N 1 1 326.422 0.478 20 30 ECEDMO C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2C[N@@H+](C)CCN2C)C[C@@H]1n1ccnc1 ZINC000329910229 437429955 /nfs/dbraw/zinc/42/99/55/437429955.db2.gz VRNMGYSNIPXLGY-OAGGEKHMSA-N 1 1 334.468 0.926 20 30 ECEDMO C[C@H](NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CCCOC1 ZINC000329521804 437379319 /nfs/dbraw/zinc/37/93/19/437379319.db2.gz QXPJNHBOVPCTAE-GJZGRUSLSA-N 1 1 340.468 0.811 20 30 ECEDMO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1C ZINC000329686652 437400235 /nfs/dbraw/zinc/40/02/35/437400235.db2.gz FSQIYYMQFUOTIG-ZYHUDNBSSA-N 1 1 343.453 0.446 20 30 ECEDMO NC(=O)c1ncn([C@@H]2CCCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)n1 ZINC000330341286 437487006 /nfs/dbraw/zinc/48/70/06/437487006.db2.gz ZBFIROGAKGTRGS-WCQYABFASA-N 1 1 347.423 0.165 20 30 ECEDMO C[C@H](CC[NH+]1CCN(C)CC1)NC([O-])=[NH+][C@H]1CCc2ncnn2C1 ZINC000329933083 437433354 /nfs/dbraw/zinc/43/33/54/437433354.db2.gz PWDFZMNDQHFKNU-KGLIPLIRSA-N 1 1 335.456 0.123 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000329940659 437434435 /nfs/dbraw/zinc/43/44/35/437434435.db2.gz BSTBVGXOJQBIPD-ZDUSSCGKSA-N 1 1 337.472 1.385 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000329946053 437435475 /nfs/dbraw/zinc/43/54/75/437435475.db2.gz GECYGYBMCNCTKX-YPMHNXCESA-N 1 1 329.466 0.940 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000329946053 437435478 /nfs/dbraw/zinc/43/54/78/437435478.db2.gz GECYGYBMCNCTKX-YPMHNXCESA-N 1 1 329.466 0.940 20 30 ECEDMO CC(=O)N1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000329976083 437439455 /nfs/dbraw/zinc/43/94/55/437439455.db2.gz FBABRBCLAKCDDE-LSDHHAIUSA-N 1 1 326.441 0.468 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000329993854 437443078 /nfs/dbraw/zinc/44/30/78/437443078.db2.gz YTTKMILYOSXQLU-ZIAGYGMSSA-N 1 1 325.457 0.137 20 30 ECEDMO C[C@H](C(=O)N[C@H]1CCCN(c2ccnn2C)C1=O)N1CC[NH+](C)CC1 ZINC000330137693 437458551 /nfs/dbraw/zinc/45/85/51/437458551.db2.gz IBDWXTRQONSEKN-KGLIPLIRSA-N 1 1 348.451 0.508 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(CC(=O)N(CCC#N)CCC#N)[C@@H]2C1 ZINC000339375128 437461529 /nfs/dbraw/zinc/46/15/29/437461529.db2.gz BSVXYNXBGUDXEN-HZPDHXFCSA-N 1 1 333.436 0.437 20 30 ECEDMO CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000330421357 437507588 /nfs/dbraw/zinc/50/75/88/437507588.db2.gz YCFCQIPFUBQUSX-MJBXVCDLSA-N 1 1 327.425 0.534 20 30 ECEDMO C[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)C[NH+]1CCN(C)CC1 ZINC000354079656 437523896 /nfs/dbraw/zinc/52/38/96/437523896.db2.gz JYFCEOZBWQMUMO-OAHLLOKOSA-N 1 1 342.509 0.873 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)c2c[nH]nc2[C@H]2CCOC2)CC1 ZINC000330362873 437490528 /nfs/dbraw/zinc/49/05/28/437490528.db2.gz ZZOGRXUQIWCORT-LBPRGKRZSA-N 1 1 335.408 0.382 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188787332 437572985 /nfs/dbraw/zinc/57/29/85/437572985.db2.gz ZPOQIVWWPPRCSS-AWEZNQCLSA-N 1 1 347.463 0.871 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188787332 437572991 /nfs/dbraw/zinc/57/29/91/437572991.db2.gz ZPOQIVWWPPRCSS-AWEZNQCLSA-N 1 1 347.463 0.871 20 30 ECEDMO C=C[C@H](CO)NC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000291359257 437582681 /nfs/dbraw/zinc/58/26/81/437582681.db2.gz UHGWAZSHZMUOOP-OAHLLOKOSA-N 1 1 348.447 0.663 20 30 ECEDMO CNC(=O)c1cccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000330689794 437590496 /nfs/dbraw/zinc/59/04/96/437590496.db2.gz FFSOZKHLSUNQFZ-OAHLLOKOSA-N 1 1 333.436 0.870 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000191072249 437646665 /nfs/dbraw/zinc/64/66/65/437646665.db2.gz ZNIUKYJGNWXUCZ-HZPDHXFCSA-N 1 1 342.399 0.106 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000191072249 437646671 /nfs/dbraw/zinc/64/66/71/437646671.db2.gz ZNIUKYJGNWXUCZ-HZPDHXFCSA-N 1 1 342.399 0.106 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 ZINC000343765360 437650303 /nfs/dbraw/zinc/65/03/03/437650303.db2.gz NCHRVQDVBXZLRF-QGZVFWFLSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292082753 437656082 /nfs/dbraw/zinc/65/60/82/437656082.db2.gz DSHFYYXUTAZXCK-TZMCWYRMSA-N 1 1 343.387 0.807 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292082753 437656086 /nfs/dbraw/zinc/65/60/86/437656086.db2.gz DSHFYYXUTAZXCK-TZMCWYRMSA-N 1 1 343.387 0.807 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000330965325 437659607 /nfs/dbraw/zinc/65/96/07/437659607.db2.gz DJBJGUJUWVSZMQ-IAGOWNOFSA-N 1 1 349.435 0.555 20 30 ECEDMO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355149193 437680406 /nfs/dbraw/zinc/68/04/06/437680406.db2.gz PKZFWSCWOCEQNL-OAHLLOKOSA-N 1 1 326.400 0.870 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000343918230 437695269 /nfs/dbraw/zinc/69/52/69/437695269.db2.gz VKDMBDATFKYQPH-WMLDXEAASA-N 1 1 325.453 0.919 20 30 ECEDMO C=CCOCCCC(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000361822324 437692344 /nfs/dbraw/zinc/69/23/44/437692344.db2.gz GRTKJWISVDUERA-UHFFFAOYSA-N 1 1 349.435 0.578 20 30 ECEDMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(C#N)c(F)c3)[C@@H]2C1 ZINC000292457893 437692555 /nfs/dbraw/zinc/69/25/55/437692555.db2.gz YOIIHHINWPGMJY-CABCVRRESA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(C#N)c(F)c3)[C@@H]2C1 ZINC000292457893 437692559 /nfs/dbraw/zinc/69/25/59/437692559.db2.gz YOIIHHINWPGMJY-CABCVRRESA-N 1 1 339.392 0.791 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331166389 437704037 /nfs/dbraw/zinc/70/40/37/437704037.db2.gz GUYNZTJSIYSEDT-NWDGAFQWSA-N 1 1 334.424 1.065 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331166389 437704041 /nfs/dbraw/zinc/70/40/41/437704041.db2.gz GUYNZTJSIYSEDT-NWDGAFQWSA-N 1 1 334.424 1.065 20 30 ECEDMO CCN(C)C(=O)[C@H](C)NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000331214973 437718926 /nfs/dbraw/zinc/71/89/26/437718926.db2.gz NJGPIGCNZRITSP-MJBXVCDLSA-N 1 1 328.457 0.808 20 30 ECEDMO CCN(C)C(=O)[C@H](C)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000331214973 437718932 /nfs/dbraw/zinc/71/89/32/437718932.db2.gz NJGPIGCNZRITSP-MJBXVCDLSA-N 1 1 328.457 0.808 20 30 ECEDMO Cn1ncc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c1C#N ZINC000356198022 437752883 /nfs/dbraw/zinc/75/28/83/437752883.db2.gz YIFYTJCNYZZDMW-UHFFFAOYSA-N 1 1 344.463 0.972 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@H]1C(N)=O ZINC000344500621 437758028 /nfs/dbraw/zinc/75/80/28/437758028.db2.gz AZDGWYIFHKWJFW-OAGGEKHMSA-N 1 1 334.416 0.729 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](OC)C[C@H]1C(N)=O ZINC000344500621 437758029 /nfs/dbraw/zinc/75/80/29/437758029.db2.gz AZDGWYIFHKWJFW-OAGGEKHMSA-N 1 1 334.416 0.729 20 30 ECEDMO Cc1cc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)no1 ZINC000363211048 437776410 /nfs/dbraw/zinc/77/64/10/437776410.db2.gz AKMZBPCJKOBQSR-ZDUSSCGKSA-N 1 1 347.419 0.938 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)CC1 ZINC000345025896 437777575 /nfs/dbraw/zinc/77/75/75/437777575.db2.gz XSELTLLBNKUTTN-LBPRGKRZSA-N 1 1 329.466 0.902 20 30 ECEDMO N#CCCCCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000345117962 437778918 /nfs/dbraw/zinc/77/89/18/437778918.db2.gz KURTVJWYUQBZIQ-ZDUSSCGKSA-N 1 1 330.454 0.187 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)Nc2cccnc2)CC1 ZINC000370755918 437829001 /nfs/dbraw/zinc/82/90/01/437829001.db2.gz XZLTWFOZMBUFCY-UHFFFAOYSA-N 1 1 345.403 0.744 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000345748527 437798444 /nfs/dbraw/zinc/79/84/44/437798444.db2.gz NFFZOZFSLUEZCI-CABCVRRESA-N 1 1 337.468 0.099 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371019170 437870310 /nfs/dbraw/zinc/87/03/10/437870310.db2.gz QGXSWQIQNOXCDU-UONOGXRCSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000371019170 437870314 /nfs/dbraw/zinc/87/03/14/437870314.db2.gz QGXSWQIQNOXCDU-UONOGXRCSA-N 1 1 339.392 0.839 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000364971999 437838011 /nfs/dbraw/zinc/83/80/11/437838011.db2.gz MLHQBGFKUYLOHX-LBPRGKRZSA-N 1 1 348.378 0.551 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000370795717 437841179 /nfs/dbraw/zinc/84/11/79/437841179.db2.gz LGXXUXJNNHZPAX-CYBMUJFWSA-N 1 1 331.420 0.383 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000370795717 437841184 /nfs/dbraw/zinc/84/11/84/437841184.db2.gz LGXXUXJNNHZPAX-CYBMUJFWSA-N 1 1 331.420 0.383 20 30 ECEDMO C=C(C)COCCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000341417923 437842811 /nfs/dbraw/zinc/84/28/11/437842811.db2.gz MTNOEWJSTHQGTM-AWEZNQCLSA-N 1 1 327.425 0.858 20 30 ECEDMO C=C(C)COCCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000341417923 437842818 /nfs/dbraw/zinc/84/28/18/437842818.db2.gz MTNOEWJSTHQGTM-AWEZNQCLSA-N 1 1 327.425 0.858 20 30 ECEDMO C=C(C)COCCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000341417924 437843061 /nfs/dbraw/zinc/84/30/61/437843061.db2.gz MTNOEWJSTHQGTM-CQSZACIVSA-N 1 1 327.425 0.858 20 30 ECEDMO C=C(C)COCCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000341417924 437843066 /nfs/dbraw/zinc/84/30/66/437843066.db2.gz MTNOEWJSTHQGTM-CQSZACIVSA-N 1 1 327.425 0.858 20 30 ECEDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000370856585 437850967 /nfs/dbraw/zinc/85/09/67/437850967.db2.gz RASGCTZVRLBFEF-HZPDHXFCSA-N 1 1 337.445 0.994 20 30 ECEDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000370856585 437850973 /nfs/dbraw/zinc/85/09/73/437850973.db2.gz RASGCTZVRLBFEF-HZPDHXFCSA-N 1 1 337.445 0.994 20 30 ECEDMO C[NH+]1CCN(c2ncc(CN3CCN(C4CC4)[C@H](C#N)C3)cn2)CC1 ZINC000371328225 437920158 /nfs/dbraw/zinc/92/01/58/437920158.db2.gz SZOZCHVNTLQXJC-QGZVFWFLSA-N 1 1 341.463 0.401 20 30 ECEDMO N#Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000371225055 437901359 /nfs/dbraw/zinc/90/13/59/437901359.db2.gz FUBICBDZJMZYPT-SFHVURJKSA-N 1 1 339.443 0.597 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341842422 437907944 /nfs/dbraw/zinc/90/79/44/437907944.db2.gz QDENXDFVRLAWKP-KBPBESRZSA-N 1 1 326.441 0.058 20 30 ECEDMO CN1C(=O)CSC12CC[NH+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000371625392 437967940 /nfs/dbraw/zinc/96/79/40/437967940.db2.gz VSPJXHZBEKOZNV-OAHLLOKOSA-N 1 1 336.461 0.792 20 30 ECEDMO N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000424535623 437970485 /nfs/dbraw/zinc/97/04/85/437970485.db2.gz AQTSLAHTYWMZQX-CFVMTHIKSA-N 1 1 327.388 0.363 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000372024375 438024600 /nfs/dbraw/zinc/02/46/00/438024600.db2.gz FQKBVFAPTBUHEM-ZDUSSCGKSA-N 1 1 348.407 0.464 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000372024375 438024603 /nfs/dbraw/zinc/02/46/03/438024603.db2.gz FQKBVFAPTBUHEM-ZDUSSCGKSA-N 1 1 348.407 0.464 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000425908882 438047003 /nfs/dbraw/zinc/04/70/03/438047003.db2.gz KVOVFSSUBBTFMG-FZKCQIBNSA-N 1 1 337.464 0.930 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000372393930 438083677 /nfs/dbraw/zinc/08/36/77/438083677.db2.gz YASPLBIHVBGPON-CYBMUJFWSA-N 1 1 325.409 0.516 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366485934 438083781 /nfs/dbraw/zinc/08/37/81/438083781.db2.gz XAYTTWYTFRCEJA-PKOBYXMFSA-N 1 1 347.507 0.706 20 30 ECEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 ZINC000357876611 438087726 /nfs/dbraw/zinc/08/77/26/438087726.db2.gz JGECGSWGWFIZPV-CQSZACIVSA-N 1 1 331.424 0.523 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CC(=O)N(CC)CCC#N ZINC000372291006 438063778 /nfs/dbraw/zinc/06/37/78/438063778.db2.gz ZSXSWOJUKUBPKY-UONOGXRCSA-N 1 1 325.409 0.791 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CC(=O)N(CC)CCC#N ZINC000372291006 438063782 /nfs/dbraw/zinc/06/37/82/438063782.db2.gz ZSXSWOJUKUBPKY-UONOGXRCSA-N 1 1 325.409 0.791 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@H](CC(C)C)[NH+]2CCOCC2)C1=O ZINC000348503287 438068526 /nfs/dbraw/zinc/06/85/26/438068526.db2.gz WTHVKNSQBIGAOC-LSDHHAIUSA-N 1 1 339.436 0.856 20 30 ECEDMO C=CCN1C(=O)c2ccc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc2C1=O ZINC000358058337 438134867 /nfs/dbraw/zinc/13/48/67/438134867.db2.gz CRKSTTVHZMBHSB-SFHVURJKSA-N 1 1 343.383 0.265 20 30 ECEDMO CC[C@H](CC#N)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000358060248 438135905 /nfs/dbraw/zinc/13/59/05/438135905.db2.gz FFVMZGJJRKNBLO-CABCVRRESA-N 1 1 336.436 0.508 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000358066826 438139344 /nfs/dbraw/zinc/13/93/44/438139344.db2.gz MZMZITMXOLQJNR-CVEARBPZSA-N 1 1 325.409 0.431 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)nn1CCC#N ZINC000349280832 438146559 /nfs/dbraw/zinc/14/65/59/438146559.db2.gz GSTFHPZDWQHBNG-FZMZJTMJSA-N 1 1 344.419 0.643 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000349764017 438176853 /nfs/dbraw/zinc/17/68/53/438176853.db2.gz LKWKTVAFEFTSQC-UHFFFAOYSA-N 1 1 340.431 0.687 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358206183 438180068 /nfs/dbraw/zinc/18/00/68/438180068.db2.gz JLWSXCGJKRSVSL-KBPBESRZSA-N 1 1 331.482 0.800 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCOCC[C@@H]3C)CC2)o1 ZINC000367668003 438235256 /nfs/dbraw/zinc/23/52/56/438235256.db2.gz XZPFFHXDZBNDGT-ZDUSSCGKSA-N 1 1 347.419 0.614 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367771012 438245705 /nfs/dbraw/zinc/24/57/05/438245705.db2.gz PTTPNKBEAZJVRT-QGZVFWFLSA-N 1 1 335.496 0.708 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000367771012 438245709 /nfs/dbraw/zinc/24/57/09/438245709.db2.gz PTTPNKBEAZJVRT-QGZVFWFLSA-N 1 1 335.496 0.708 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000367771012 438245712 /nfs/dbraw/zinc/24/57/12/438245712.db2.gz PTTPNKBEAZJVRT-QGZVFWFLSA-N 1 1 335.496 0.708 20 30 ECEDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000375742689 438262191 /nfs/dbraw/zinc/26/21/91/438262191.db2.gz MFMPYSYJDZQFTL-JKSUJKDBSA-N 1 1 333.436 0.437 20 30 ECEDMO CC(C)n1nc2c(cc1=O)C[N@H+](CCC(=O)N(C)CCC#N)CC2 ZINC000375844483 438265200 /nfs/dbraw/zinc/26/52/00/438265200.db2.gz DDDLRHREMYHRHK-UHFFFAOYSA-N 1 1 331.420 0.944 20 30 ECEDMO C#CCNC(=O)c1ccc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)nc1 ZINC000376207136 438275854 /nfs/dbraw/zinc/27/58/54/438275854.db2.gz NFAPFLAJEDVYDV-HOCLYGCPSA-N 1 1 328.416 0.744 20 30 ECEDMO N#Cc1ncn(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000376476014 438283451 /nfs/dbraw/zinc/28/34/51/438283451.db2.gz XNOIBEWLADXIAN-AWEZNQCLSA-N 1 1 325.376 0.326 20 30 ECEDMO N#Cc1ncn(CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000376476014 438283455 /nfs/dbraw/zinc/28/34/55/438283455.db2.gz XNOIBEWLADXIAN-AWEZNQCLSA-N 1 1 325.376 0.326 20 30 ECEDMO COC(=O)[C@]1(C)CCN(CC#CC[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000375373437 438252634 /nfs/dbraw/zinc/25/26/34/438252634.db2.gz MHOYMHFTNRDYOC-HDICACEKSA-N 1 1 336.432 0.760 20 30 ECEDMO COC(=O)[C@]1(C)CCN(CC#CC[N@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000375373437 438252638 /nfs/dbraw/zinc/25/26/38/438252638.db2.gz MHOYMHFTNRDYOC-HDICACEKSA-N 1 1 336.432 0.760 20 30 ECEDMO COC(=O)[C@]1(C)CC[N@@H+](CC#CCN2CC[C@](C)(C(=O)OC)C2)C1 ZINC000375373437 438252642 /nfs/dbraw/zinc/25/26/42/438252642.db2.gz MHOYMHFTNRDYOC-HDICACEKSA-N 1 1 336.432 0.760 20 30 ECEDMO COC(=O)[C@]1(C)CC[N@H+](CC#CCN2CC[C@](C)(C(=O)OC)C2)C1 ZINC000375373437 438252648 /nfs/dbraw/zinc/25/26/48/438252648.db2.gz MHOYMHFTNRDYOC-HDICACEKSA-N 1 1 336.432 0.760 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000434714168 438319157 /nfs/dbraw/zinc/31/91/57/438319157.db2.gz NVADXEUWPQWCGP-WFASDCNBSA-N 1 1 336.436 0.098 20 30 ECEDMO COC(=O)CN1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000377966609 438335564 /nfs/dbraw/zinc/33/55/64/438335564.db2.gz QSHPZFGGKDTZLP-MRXNPFEDSA-N 1 1 347.415 0.479 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000377052128 438300174 /nfs/dbraw/zinc/30/01/74/438300174.db2.gz RCOHUKNEIAAZOG-ZFWWWQNUSA-N 1 1 329.404 0.588 20 30 ECEDMO C#CCCS(=O)(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000377290900 438307233 /nfs/dbraw/zinc/30/72/33/438307233.db2.gz WZYHTJOQHGVLKE-QGZVFWFLSA-N 1 1 336.457 0.908 20 30 ECEDMO C=C(C)CC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351854493 438350083 /nfs/dbraw/zinc/35/00/83/438350083.db2.gz GTVCVJNXBKWEHA-GASCZTMLSA-N 1 1 331.482 0.924 20 30 ECEDMO C=C(C)COCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419396980 438355244 /nfs/dbraw/zinc/35/52/44/438355244.db2.gz DNBALWLKJVMVDH-HNNXBMFYSA-N 1 1 332.404 0.263 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CCC[N@H+](CC(C)(C)O)CC2)nc1 ZINC000368717813 438371083 /nfs/dbraw/zinc/37/10/83/438371083.db2.gz CERQYFOHDLEYJU-UHFFFAOYSA-N 1 1 330.432 0.728 20 30 ECEDMO CN(C)CCOCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000389886483 438428938 /nfs/dbraw/zinc/42/89/38/438428938.db2.gz MCERKHINWHZTTR-UHFFFAOYSA-N 1 1 325.434 0.500 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(c3nccc(OC)n3)CC2)C1=O ZINC000369191714 438435271 /nfs/dbraw/zinc/43/52/71/438435271.db2.gz BPGRTLYQEPNEAB-AWEZNQCLSA-N 1 1 331.420 0.784 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(c3nccc(OC)n3)CC2)C1=O ZINC000369191714 438435276 /nfs/dbraw/zinc/43/52/76/438435276.db2.gz BPGRTLYQEPNEAB-AWEZNQCLSA-N 1 1 331.420 0.784 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(c3nccc(OC)n3)CC2)C1=O ZINC000369191715 438436781 /nfs/dbraw/zinc/43/67/81/438436781.db2.gz BPGRTLYQEPNEAB-CQSZACIVSA-N 1 1 331.420 0.784 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(c3nccc(OC)n3)CC2)C1=O ZINC000369191715 438436788 /nfs/dbraw/zinc/43/67/88/438436788.db2.gz BPGRTLYQEPNEAB-CQSZACIVSA-N 1 1 331.420 0.784 20 30 ECEDMO C[C@H](CNC(=O)Nc1ccn(CCC#N)n1)CN1CC[NH+](C)CC1 ZINC000438306938 438473980 /nfs/dbraw/zinc/47/39/80/438473980.db2.gz QWZDRHZJMUTHCC-CQSZACIVSA-N 1 1 333.440 0.802 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000352590448 438447407 /nfs/dbraw/zinc/44/74/07/438447407.db2.gz ZVXFJLIUZMOGOL-AWEZNQCLSA-N 1 1 333.440 0.944 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000369667463 438502340 /nfs/dbraw/zinc/50/23/40/438502340.db2.gz ZFUCBDSDMHZVSB-ZIAGYGMSSA-N 1 1 338.452 0.572 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ncccc3C#N)CC2)C1 ZINC000369680616 438504346 /nfs/dbraw/zinc/50/43/46/438504346.db2.gz VHYVDFHRXVJBGJ-HNNXBMFYSA-N 1 1 329.404 0.323 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ncccc3C#N)CC2)C1 ZINC000369680616 438504350 /nfs/dbraw/zinc/50/43/50/438504350.db2.gz VHYVDFHRXVJBGJ-HNNXBMFYSA-N 1 1 329.404 0.323 20 30 ECEDMO COC(=O)[C@@](C)(O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000353477638 438507457 /nfs/dbraw/zinc/50/74/57/438507457.db2.gz KFBGJVFSEKSDGA-SFHVURJKSA-N 1 1 331.416 0.990 20 30 ECEDMO COC(=O)[C@@](C)(O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000353477638 438507460 /nfs/dbraw/zinc/50/74/60/438507460.db2.gz KFBGJVFSEKSDGA-SFHVURJKSA-N 1 1 331.416 0.990 20 30 ECEDMO COC(=O)[C@@](C)(O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000353477638 438507464 /nfs/dbraw/zinc/50/74/64/438507464.db2.gz KFBGJVFSEKSDGA-SFHVURJKSA-N 1 1 331.416 0.990 20 30 ECEDMO Cc1onc(CC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1C#N ZINC000353868880 438546866 /nfs/dbraw/zinc/54/68/66/438546866.db2.gz IJSYGQIVXYSBSB-HNNXBMFYSA-N 1 1 347.419 0.456 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)n1 ZINC000442270341 438602469 /nfs/dbraw/zinc/60/24/69/438602469.db2.gz LEUZKXGPXTYVDJ-RYUDHWBXSA-N 1 1 332.408 0.825 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)n1 ZINC000442270341 438602472 /nfs/dbraw/zinc/60/24/72/438602472.db2.gz LEUZKXGPXTYVDJ-RYUDHWBXSA-N 1 1 332.408 0.825 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C(=O)N(C)C)C2)CC1 ZINC000411933358 438682889 /nfs/dbraw/zinc/68/28/89/438682889.db2.gz AXUUPSOGHUYBTR-JKSUJKDBSA-N 1 1 349.479 0.089 20 30 ECEDMO CCOC(=O)[C@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC12COC2 ZINC000451140002 438696757 /nfs/dbraw/zinc/69/67/57/438696757.db2.gz SQYYSIGSGNYEIP-CJNGLKHVSA-N 1 1 337.420 0.552 20 30 ECEDMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC12COC2 ZINC000451140002 438696759 /nfs/dbraw/zinc/69/67/59/438696759.db2.gz SQYYSIGSGNYEIP-CJNGLKHVSA-N 1 1 337.420 0.552 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000451328594 438698682 /nfs/dbraw/zinc/69/86/82/438698682.db2.gz KYLXULLMQUDBOE-HOTGVXAUSA-N 1 1 325.409 0.552 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000451328594 438698686 /nfs/dbraw/zinc/69/86/86/438698686.db2.gz KYLXULLMQUDBOE-HOTGVXAUSA-N 1 1 325.409 0.552 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000452390554 438659795 /nfs/dbraw/zinc/65/97/95/438659795.db2.gz OORCZAUGFKIGHO-MRXNPFEDSA-N 1 1 344.415 0.251 20 30 ECEDMO COc1cc(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)ccc1C#N ZINC000414717754 438715060 /nfs/dbraw/zinc/71/50/60/438715060.db2.gz UWVVPRWMSWNNTJ-INIZCTEOSA-N 1 1 328.416 0.963 20 30 ECEDMO CCOC(=O)[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CC12COC2 ZINC000574917030 438727209 /nfs/dbraw/zinc/72/72/09/438727209.db2.gz POMZPTSDZHMLTL-CQSZACIVSA-N 1 1 341.371 0.612 20 30 ECEDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC12COC2 ZINC000574917030 438727212 /nfs/dbraw/zinc/72/72/12/438727212.db2.gz POMZPTSDZHMLTL-CQSZACIVSA-N 1 1 341.371 0.612 20 30 ECEDMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000551907570 438738628 /nfs/dbraw/zinc/73/86/28/438738628.db2.gz STOPOZMVARPFIS-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000551907570 438738633 /nfs/dbraw/zinc/73/86/33/438738633.db2.gz STOPOZMVARPFIS-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000455439467 438746383 /nfs/dbraw/zinc/74/63/83/438746383.db2.gz WNFLIBGXXWFZSJ-KFWWJZLASA-N 1 1 339.436 0.999 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000455439467 438746385 /nfs/dbraw/zinc/74/63/85/438746385.db2.gz WNFLIBGXXWFZSJ-KFWWJZLASA-N 1 1 339.436 0.999 20 30 ECEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588123700 438819626 /nfs/dbraw/zinc/81/96/26/438819626.db2.gz GRDGICXUXDSBQS-CVEARBPZSA-N 1 1 347.463 0.176 20 30 ECEDMO C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000577348113 438833712 /nfs/dbraw/zinc/83/37/12/438833712.db2.gz SXUGBZZMMLJFSD-WCQYABFASA-N 1 1 329.360 0.347 20 30 ECEDMO N#Cc1sccc1N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000595633091 438835902 /nfs/dbraw/zinc/83/59/02/438835902.db2.gz LXVMMGWWLSPHAY-AWEZNQCLSA-N 1 1 336.461 0.435 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)n(CCC#N)n1 ZINC000590281512 438907785 /nfs/dbraw/zinc/90/77/85/438907785.db2.gz OBMVUKSVEDJLCG-OLZOCXBDSA-N 1 1 330.392 0.206 20 30 ECEDMO N#Cc1cccc(CNC(=O)CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595864453 438872312 /nfs/dbraw/zinc/87/23/12/438872312.db2.gz ANHCHQXFBUGHEZ-GOSISDBHSA-N 1 1 342.443 0.705 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)CC1 ZINC000595875561 438877322 /nfs/dbraw/zinc/87/73/22/438877322.db2.gz QUGFJYUJMYTTGG-RYRKJORJSA-N 1 1 336.480 0.629 20 30 ECEDMO C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC[N@H+](C2CCC2)C1 ZINC000515739937 438879378 /nfs/dbraw/zinc/87/93/78/438879378.db2.gz PSLZHDCYIDHZTN-DZGCQCFKSA-N 1 1 342.465 0.262 20 30 ECEDMO C=CCC[C@@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000458441771 438888392 /nfs/dbraw/zinc/88/83/92/438888392.db2.gz UOQUBGYJHMYPRH-KGLIPLIRSA-N 1 1 326.441 0.200 20 30 ECEDMO N#Cc1ccc([C@H]([NH2+]CCN2C[C@H]3CCCCN3C2=O)C(N)=O)cc1 ZINC000596048341 438919363 /nfs/dbraw/zinc/91/93/63/438919363.db2.gz UTLZXOZRKWKZMU-CVEARBPZSA-N 1 1 341.415 0.964 20 30 ECEDMO C[C@H](CCC#N)C[NH+]1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000590592929 438938845 /nfs/dbraw/zinc/93/88/45/438938845.db2.gz CWIGJAYKRUTMFB-OAHLLOKOSA-N 1 1 343.497 0.036 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)C1 ZINC000590747031 438952985 /nfs/dbraw/zinc/95/29/85/438952985.db2.gz ZFTZOFDMOROAHJ-HNNXBMFYSA-N 1 1 340.493 0.722 20 30 ECEDMO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000459462807 438965707 /nfs/dbraw/zinc/96/57/07/438965707.db2.gz LRIULMFOVKXSNW-LSDHHAIUSA-N 1 1 349.479 0.327 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CC(=O)N3)CC2)cc1 ZINC000596693123 438990322 /nfs/dbraw/zinc/99/03/22/438990322.db2.gz GSWCLJOPEZRMPH-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000579620257 439027221 /nfs/dbraw/zinc/02/72/21/439027221.db2.gz BVFSXLRGSXZMMA-QLFBSQMISA-N 1 1 344.481 0.508 20 30 ECEDMO N#Cc1cccc(CN2CCC(NC(=O)CN3CC[NH2+]CC3)CC2)c1 ZINC000602520978 439103172 /nfs/dbraw/zinc/10/31/72/439103172.db2.gz LMWXGOAKFAQLFO-UHFFFAOYSA-N 1 1 341.459 0.544 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@](O)(CC#N)C3)C2)CC1 ZINC000591960049 439122258 /nfs/dbraw/zinc/12/22/58/439122258.db2.gz RPKMCLMPCBIXLG-RHSMWYFYSA-N 1 1 335.452 0.215 20 30 ECEDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CC[C@](O)(CC#N)C3)C2)CC1 ZINC000591960049 439122269 /nfs/dbraw/zinc/12/22/69/439122269.db2.gz RPKMCLMPCBIXLG-RHSMWYFYSA-N 1 1 335.452 0.215 20 30 ECEDMO Cc1nn(C)c(N2CCN(Cc3c[nH+]c(N(C)C)n3C)CC2)c1C#N ZINC000580948547 439150756 /nfs/dbraw/zinc/15/07/56/439150756.db2.gz OSOQRPAHHFOSTO-UHFFFAOYSA-N 1 1 342.451 0.722 20 30 ECEDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CNc1ccc(C#N)cn1 ZINC000597696016 439161444 /nfs/dbraw/zinc/16/14/44/439161444.db2.gz UWEARXCWEXMPTQ-GJZGRUSLSA-N 1 1 329.404 0.687 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000592196112 439177621 /nfs/dbraw/zinc/17/76/21/439177621.db2.gz ADBRHJFKFLYQBG-HUUCEWRRSA-N 1 1 331.372 0.030 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000592196112 439177625 /nfs/dbraw/zinc/17/76/25/439177625.db2.gz ADBRHJFKFLYQBG-HUUCEWRRSA-N 1 1 331.372 0.030 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000597774504 439179302 /nfs/dbraw/zinc/17/93/02/439179302.db2.gz MLWZSFKVMHIRKB-KGLIPLIRSA-N 1 1 325.409 0.021 20 30 ECEDMO CCCN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000592300332 439195326 /nfs/dbraw/zinc/19/53/26/439195326.db2.gz LZDFVWLPSJBUIJ-CYBMUJFWSA-N 1 1 332.408 0.678 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000597937023 439202506 /nfs/dbraw/zinc/20/25/06/439202506.db2.gz IVKYKDJKJLDTIE-CQSZACIVSA-N 1 1 334.445 0.989 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000597937023 439202510 /nfs/dbraw/zinc/20/25/10/439202510.db2.gz IVKYKDJKJLDTIE-CQSZACIVSA-N 1 1 334.445 0.989 20 30 ECEDMO C=CCNc1ncc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000581488190 439217228 /nfs/dbraw/zinc/21/72/28/439217228.db2.gz UHUCVIUGTKXFBM-LBPRGKRZSA-N 1 1 349.460 0.777 20 30 ECEDMO C=CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CCS(=O)(=O)C1 ZINC000568754366 439275544 /nfs/dbraw/zinc/27/55/44/439275544.db2.gz MYPYSAFQRLBGHU-HIFRSBDPSA-N 1 1 337.445 0.956 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)O1 ZINC000527542054 439277423 /nfs/dbraw/zinc/27/74/23/439277423.db2.gz IIKDYXZQTSJAMB-UKRRQHHQSA-N 1 1 329.404 0.321 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)O1 ZINC000527542054 439277424 /nfs/dbraw/zinc/27/74/24/439277424.db2.gz IIKDYXZQTSJAMB-UKRRQHHQSA-N 1 1 329.404 0.321 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1C#N ZINC000489812137 439241519 /nfs/dbraw/zinc/24/15/19/439241519.db2.gz QMOAQIWINDGMIW-LBPRGKRZSA-N 1 1 338.433 0.339 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cc1C#N ZINC000489812137 439241526 /nfs/dbraw/zinc/24/15/26/439241526.db2.gz QMOAQIWINDGMIW-LBPRGKRZSA-N 1 1 338.433 0.339 20 30 ECEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000603404530 439256187 /nfs/dbraw/zinc/25/61/87/439256187.db2.gz WITMHWNLWXDOCU-UHFFFAOYSA-N 1 1 337.449 0.259 20 30 ECEDMO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603410259 439256823 /nfs/dbraw/zinc/25/68/23/439256823.db2.gz HEXIKGCIEQMVAE-OAHLLOKOSA-N 1 1 345.447 0.721 20 30 ECEDMO N#Cc1cc(NC[C@@]2(CO)COCC[NH2+]2)ncc1Br ZINC000603418202 439258098 /nfs/dbraw/zinc/25/80/98/439258098.db2.gz CZRUPOMTCZGHRU-GFCCVEGCSA-N 1 1 327.182 0.479 20 30 ECEDMO C[C@]1(C#N)CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000603436603 439261484 /nfs/dbraw/zinc/26/14/84/439261484.db2.gz PCQQQBZULHWRNQ-FUHWJXTLSA-N 1 1 349.479 0.728 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccccc2C#N)[C@@H](C)C1 ZINC000528465829 439338943 /nfs/dbraw/zinc/33/89/43/439338943.db2.gz RWBKYRLFZJAFNM-ZOBUZTSGSA-N 1 1 333.432 0.685 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000491071783 439329055 /nfs/dbraw/zinc/32/90/55/439329055.db2.gz NGQYMQLKIXYPMZ-CYBMUJFWSA-N 1 1 331.420 0.864 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000491125124 439334959 /nfs/dbraw/zinc/33/49/59/439334959.db2.gz BAHZQIIRZWMGMN-XHSDSOJGSA-N 1 1 334.464 0.141 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000491126928 439337566 /nfs/dbraw/zinc/33/75/66/439337566.db2.gz UPEGXTAANWULCV-QGZVFWFLSA-N 1 1 345.443 0.102 20 30 ECEDMO C#CCN1CCN(C(=O)CON=C(N)C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000490763748 439296573 /nfs/dbraw/zinc/29/65/73/439296573.db2.gz VLSVVGMRQJIVTE-OAHLLOKOSA-N 1 1 335.452 0.137 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](NS(C)(=O)=O)[C@@H](C)CC ZINC000490900751 439308903 /nfs/dbraw/zinc/30/89/03/439308903.db2.gz XQSVJQVYNDWPPF-BFHYXJOUSA-N 1 1 330.450 0.591 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCNC(=O)OC(C)(C)C)CC1 ZINC000491255688 439359459 /nfs/dbraw/zinc/35/94/59/439359459.db2.gz XWLNLZLSRDIYOI-UHFFFAOYSA-N 1 1 338.452 0.268 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC2(CC1)[C@@H](O)C[C@@H]2OCC ZINC000491266954 439360023 /nfs/dbraw/zinc/36/00/23/439360023.db2.gz RJLJXMONPNJVKE-HOTGVXAUSA-N 1 1 337.464 0.903 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000491299504 439365731 /nfs/dbraw/zinc/36/57/31/439365731.db2.gz ZPMPNGMLANDXSE-UHFFFAOYSA-N 1 1 346.435 0.272 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1c[nH]nc1-c1nccs1 ZINC000491167459 439342907 /nfs/dbraw/zinc/34/29/07/439342907.db2.gz XZWVEXDSOMIKJW-UHFFFAOYSA-N 1 1 346.416 0.543 20 30 ECEDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528518585 439344778 /nfs/dbraw/zinc/34/47/78/439344778.db2.gz DXBXLEAEFDVOJJ-CQSZACIVSA-N 1 1 339.395 0.696 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000491201704 439348054 /nfs/dbraw/zinc/34/80/54/439348054.db2.gz IUIXUHMYHKDHIB-HOTGVXAUSA-N 1 1 332.448 0.784 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000491210397 439350298 /nfs/dbraw/zinc/35/02/98/439350298.db2.gz TVGFLOUBSKPPJT-UHFFFAOYSA-N 1 1 329.356 0.367 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000569609086 439350526 /nfs/dbraw/zinc/35/05/26/439350526.db2.gz SRUNVQYDVIODNS-GFCCVEGCSA-N 1 1 338.389 0.967 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000569609086 439350531 /nfs/dbraw/zinc/35/05/31/439350531.db2.gz SRUNVQYDVIODNS-GFCCVEGCSA-N 1 1 338.389 0.967 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](C(N)=O)C2)c(C#N)c(N[C@H]2C[C@H](C(N)=O)C2)[nH+]1 ZINC000599145442 439366929 /nfs/dbraw/zinc/36/69/29/439366929.db2.gz TWQZGTJYATVVJH-NQYKUJLISA-N 1 1 342.403 0.613 20 30 ECEDMO N#Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000599175961 439374135 /nfs/dbraw/zinc/37/41/35/439374135.db2.gz LDCWEXBIORJHDZ-CYBMUJFWSA-N 1 1 327.344 1.493 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000491635337 439417282 /nfs/dbraw/zinc/41/72/82/439417282.db2.gz SUMBZQSPNBHXHS-UHFFFAOYSA-N 1 1 343.493 0.556 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC000491662818 439420992 /nfs/dbraw/zinc/42/09/92/439420992.db2.gz HNRQXBWUBMCGBN-UHFFFAOYSA-N 1 1 341.408 0.175 20 30 ECEDMO C[N@H+](C[C@H](O)COc1ccccc1C#N)C[C@@H]1CCS(=O)(=O)C1 ZINC000599298936 439423019 /nfs/dbraw/zinc/42/30/19/439423019.db2.gz BKIIDFGMIHPDNO-ZFWWWQNUSA-N 1 1 338.429 0.664 20 30 ECEDMO C[N@@H+](C[C@H](O)COc1ccccc1C#N)C[C@@H]1CCS(=O)(=O)C1 ZINC000599298936 439423023 /nfs/dbraw/zinc/42/30/23/439423023.db2.gz BKIIDFGMIHPDNO-ZFWWWQNUSA-N 1 1 338.429 0.664 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)CC1 ZINC000491670632 439425023 /nfs/dbraw/zinc/42/50/23/439425023.db2.gz ZFYHTOFQQLCVLI-AOIWGVFYSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)CC1 ZINC000491670632 439425024 /nfs/dbraw/zinc/42/50/24/439425024.db2.gz ZFYHTOFQQLCVLI-AOIWGVFYSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cnc[nH]1 ZINC000491694620 439429220 /nfs/dbraw/zinc/42/92/20/439429220.db2.gz VYWWKOPXEIPXGC-UHFFFAOYSA-N 1 1 348.450 0.215 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000491726217 439435013 /nfs/dbraw/zinc/43/50/13/439435013.db2.gz CRYGGJYDBDAOLI-UHFFFAOYSA-N 1 1 330.450 0.594 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1n1cccn1 ZINC000491749502 439441903 /nfs/dbraw/zinc/44/19/03/439441903.db2.gz GKHRARTYTWKXDL-OAGGEKHMSA-N 1 1 333.436 0.856 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000491754904 439442454 /nfs/dbraw/zinc/44/24/54/439442454.db2.gz WKJPRKDENZLLRO-SDDRHHMPSA-N 1 1 331.338 0.467 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)CC2 ZINC000583269416 439442786 /nfs/dbraw/zinc/44/27/86/439442786.db2.gz VQOFREBEYFLYLM-GFCCVEGCSA-N 1 1 341.419 1.022 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1nc(Br)cnc1N ZINC000491767439 439446779 /nfs/dbraw/zinc/44/67/79/439446779.db2.gz ISMNTTSAKPBAGB-UHFFFAOYSA-N 1 1 326.198 0.506 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC(C)(C)c1cc(C(=O)OC)on1 ZINC000491793717 439452159 /nfs/dbraw/zinc/45/21/59/439452159.db2.gz MOLOFKPPTYFIKF-UHFFFAOYSA-N 1 1 336.392 0.951 20 30 ECEDMO CCn1nccc1C[N@H+](CCO)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599390686 439454201 /nfs/dbraw/zinc/45/42/01/439454201.db2.gz OPPPXIHIDKGEPY-INIZCTEOSA-N 1 1 336.436 0.769 20 30 ECEDMO CCn1nccc1C[N@@H+](CCO)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599390686 439454206 /nfs/dbraw/zinc/45/42/06/439454206.db2.gz OPPPXIHIDKGEPY-INIZCTEOSA-N 1 1 336.436 0.769 20 30 ECEDMO CCC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000599266179 439408232 /nfs/dbraw/zinc/40/82/32/439408232.db2.gz ZXYQZVIDKZPMLN-HUUCEWRRSA-N 1 1 344.477 0.957 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593754760 439462420 /nfs/dbraw/zinc/46/24/20/439462420.db2.gz OGSGFVUOABCANE-WBVHZDCISA-N 1 1 342.443 0.990 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593754760 439462426 /nfs/dbraw/zinc/46/24/26/439462426.db2.gz OGSGFVUOABCANE-WBVHZDCISA-N 1 1 342.443 0.990 20 30 ECEDMO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1nnnn1-c1ccccc1 ZINC000571040093 439469567 /nfs/dbraw/zinc/46/95/67/439469567.db2.gz RSZKWEGGWQRWDG-HIFRSBDPSA-N 1 1 329.408 0.519 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000593854864 439477950 /nfs/dbraw/zinc/47/79/50/439477950.db2.gz LMDKHIZYLNPTFG-MSOLQXFVSA-N 1 1 340.427 0.804 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000593854864 439477955 /nfs/dbraw/zinc/47/79/55/439477955.db2.gz LMDKHIZYLNPTFG-MSOLQXFVSA-N 1 1 340.427 0.804 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cc2ccc(C#N)nc2)CC1 ZINC000599477257 439485646 /nfs/dbraw/zinc/48/56/46/439485646.db2.gz DBPODWPLKKSFEF-HNNXBMFYSA-N 1 1 329.448 0.886 20 30 ECEDMO COCC[NH2+]CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593918935 439495405 /nfs/dbraw/zinc/49/54/05/439495405.db2.gz LJVIIDMLVAWJQG-UHFFFAOYSA-N 1 1 330.432 0.875 20 30 ECEDMO C[C@](O)(CNC(=O)/C=C\c1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000492103103 439495690 /nfs/dbraw/zinc/49/56/90/439495690.db2.gz KVKIQHLZZXGPEP-MJRGOJFPSA-N 1 1 329.400 0.771 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CC3(C)COC3)CC2)o1 ZINC000599571625 439508730 /nfs/dbraw/zinc/50/87/30/439508730.db2.gz OFLJOQNSJPXRCM-UHFFFAOYSA-N 1 1 347.419 0.472 20 30 ECEDMO N#Cc1ccsc1N1CC[C@@H](N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1=O ZINC000594025173 439509055 /nfs/dbraw/zinc/50/90/55/439509055.db2.gz CHBBUUROJKHIQT-BFHYXJOUSA-N 1 1 332.429 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C ZINC000491815605 439457361 /nfs/dbraw/zinc/45/73/61/439457361.db2.gz VCSASDASMPPBDK-DZGCQCFKSA-N 1 1 342.461 0.734 20 30 ECEDMO C[C@H](CNC(=O)NC1CCN(CC#N)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594221081 439528456 /nfs/dbraw/zinc/52/84/56/439528456.db2.gz KZNFHWUANUBZPX-KFWWJZLASA-N 1 1 337.468 0.771 20 30 ECEDMO C[C@H](CNC(=O)NC1CCN(CC#N)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594221081 439528462 /nfs/dbraw/zinc/52/84/62/439528462.db2.gz KZNFHWUANUBZPX-KFWWJZLASA-N 1 1 337.468 0.771 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2ccc(C#N)nc2)[C@@H](C)C1 ZINC000599734852 439547849 /nfs/dbraw/zinc/54/78/49/439547849.db2.gz YHCOJCKIILTEHW-ZDUSSCGKSA-N 1 1 330.388 0.592 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2ccc(C#N)nc2)[C@@H](C)C1 ZINC000599734852 439547855 /nfs/dbraw/zinc/54/78/55/439547855.db2.gz YHCOJCKIILTEHW-ZDUSSCGKSA-N 1 1 330.388 0.592 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000542830027 439559544 /nfs/dbraw/zinc/55/95/44/439559544.db2.gz KXEBEQRRLXCCKI-UHFFFAOYSA-N 1 1 330.396 0.643 20 30 ECEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000609283745 439562084 /nfs/dbraw/zinc/56/20/84/439562084.db2.gz QLHFADFFGLAWPL-AWEZNQCLSA-N 1 1 342.403 0.803 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(C(N)=O)CC3)CC2)cc1 ZINC000609456548 439570247 /nfs/dbraw/zinc/57/02/47/439570247.db2.gz QRQZWGFRIZJZRQ-UHFFFAOYSA-N 1 1 326.400 0.858 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(C(N)=O)CC3)CC2)cc1 ZINC000609456548 439570250 /nfs/dbraw/zinc/57/02/50/439570250.db2.gz QRQZWGFRIZJZRQ-UHFFFAOYSA-N 1 1 326.400 0.858 20 30 ECEDMO C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc(C#N)cc1 ZINC000594618884 439582123 /nfs/dbraw/zinc/58/21/23/439582123.db2.gz IISMXDBCAOAMEF-VBNZEHGJSA-N 1 1 342.399 0.013 20 30 ECEDMO N#Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000609668459 439583456 /nfs/dbraw/zinc/58/34/56/439583456.db2.gz RFWNWGILINOZOK-SFHVURJKSA-N 1 1 342.443 0.623 20 30 ECEDMO COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(F)cc1C#N ZINC000599951935 439584025 /nfs/dbraw/zinc/58/40/25/439584025.db2.gz RUOYDYBPXRSXDG-LLVKDONJSA-N 1 1 346.362 0.997 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C(C)(C)CO)CC2)o1 ZINC000609894903 439592754 /nfs/dbraw/zinc/59/27/54/439592754.db2.gz LBKCNAITDSNILF-UHFFFAOYSA-N 1 1 335.408 0.206 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)nn1CCC#N ZINC000595089522 439653428 /nfs/dbraw/zinc/65/34/28/439653428.db2.gz JQPSQAXINYQVKA-ZDUSSCGKSA-N 1 1 346.435 1.033 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600765761 439701428 /nfs/dbraw/zinc/70/14/28/439701428.db2.gz MXCWORMRDKZMGT-DZGCQCFKSA-N 1 1 338.452 0.477 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522522 439703339 /nfs/dbraw/zinc/70/33/39/439703339.db2.gz GRHKKHFBXZKSKL-RHSMWYFYSA-N 1 1 337.468 0.135 20 30 ECEDMO N#Cc1cccc(N2CC[NH+](C[C@H](O)CC3(O)CCOCC3)CC2)n1 ZINC000600847216 439710859 /nfs/dbraw/zinc/71/08/59/439710859.db2.gz XNIVTNZVOAZHCV-MRXNPFEDSA-N 1 1 346.431 0.368 20 30 ECEDMO CCOC(=O)c1c(C)n[nH]c1C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000595397472 439720673 /nfs/dbraw/zinc/72/06/73/439720673.db2.gz JBBJOQZADGRPEE-UHFFFAOYSA-N 1 1 345.407 1.136 20 30 ECEDMO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000595397472 439720677 /nfs/dbraw/zinc/72/06/77/439720677.db2.gz JBBJOQZADGRPEE-UHFFFAOYSA-N 1 1 345.407 1.136 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)CN1CCCCC1 ZINC000600739129 439697183 /nfs/dbraw/zinc/69/71/83/439697183.db2.gz PZBWSSPJPLMLSW-DLBZAZTESA-N 1 1 333.432 0.734 20 30 ECEDMO COCCN(CCC#N)C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000615257082 439797340 /nfs/dbraw/zinc/79/73/40/439797340.db2.gz TXYKEXAYFSGBLQ-UHFFFAOYSA-N 1 1 342.359 0.594 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000653520952 440197491 /nfs/dbraw/zinc/19/74/91/440197491.db2.gz JMUPDJAGYYJFDS-FQUUOJAGSA-N 1 1 325.409 0.607 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000653520952 440197497 /nfs/dbraw/zinc/19/74/97/440197497.db2.gz JMUPDJAGYYJFDS-FQUUOJAGSA-N 1 1 325.409 0.607 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000648804004 440332517 /nfs/dbraw/zinc/33/25/17/440332517.db2.gz PJRDMZKFPRQSQS-GOSISDBHSA-N 1 1 341.415 0.831 20 30 ECEDMO C=C(C)[C@@H](CO)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000650279093 440616473 /nfs/dbraw/zinc/61/64/73/440616473.db2.gz JEUJWTNGTKZYTN-CYBMUJFWSA-N 1 1 332.397 0.721 20 30 ECEDMO C=CC[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H](C)COC ZINC000639784451 440791702 /nfs/dbraw/zinc/79/17/02/440791702.db2.gz HEZVYGDBQJKAMN-ZDUSSCGKSA-N 1 1 347.481 0.050 20 30 ECEDMO C=CC[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H](C)COC ZINC000639784451 440791704 /nfs/dbraw/zinc/79/17/04/440791704.db2.gz HEZVYGDBQJKAMN-ZDUSSCGKSA-N 1 1 347.481 0.050 20 30 ECEDMO C=CC[C@@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000661379763 440844159 /nfs/dbraw/zinc/84/41/59/440844159.db2.gz IEYJIRAUMADLCR-CYBMUJFWSA-N 1 1 331.420 0.722 20 30 ECEDMO C[N@@H+](CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000564423374 322374413 /nfs/dbraw/zinc/37/44/13/322374413.db2.gz FVAMLJWEIDOPTO-UHFFFAOYSA-N 1 1 336.417 0.047 20 30 ECEDMO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1=O ZINC000568502329 322630215 /nfs/dbraw/zinc/63/02/15/322630215.db2.gz PXWFDQVTNUEGDT-XNRPHZJLSA-N 1 1 347.440 0.931 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3(S(C)(=O)=O)CCC3)C2)C1 ZINC001041765461 782158511 /nfs/dbraw/zinc/15/85/11/782158511.db2.gz LQNJYKWXQQRXNH-INIZCTEOSA-N 1 1 338.473 0.901 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)CC1 ZINC000172352710 545866286 /nfs/dbraw/zinc/86/62/86/545866286.db2.gz PIMGJEUAOLIXRJ-CHWSQXEVSA-N 1 1 329.466 0.854 20 30 ECEDMO O=C(NCCS(=O)(=O)NC1CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328641094 546002662 /nfs/dbraw/zinc/00/26/62/546002662.db2.gz DAWDTSWZBSLPNM-OLZOCXBDSA-N 1 1 330.454 0.199 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)[N@H+](C)C1 ZINC000329038064 546012169 /nfs/dbraw/zinc/01/21/69/546012169.db2.gz RWJCTXPMTGNIPD-XQQFMLRXSA-N 1 1 335.408 0.591 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)[N@@H+](C)C1 ZINC000329038064 546012172 /nfs/dbraw/zinc/01/21/72/546012172.db2.gz RWJCTXPMTGNIPD-XQQFMLRXSA-N 1 1 335.408 0.591 20 30 ECEDMO CCN1CC[NH+](CCC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000329363602 546021014 /nfs/dbraw/zinc/02/10/14/546021014.db2.gz ZNJAFWCYUSVGRU-AWEZNQCLSA-N 1 1 346.497 0.395 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCSC[C@H]1CO ZINC000625278657 547060460 /nfs/dbraw/zinc/06/04/60/547060460.db2.gz OCEXCBFACXDYAG-CYBMUJFWSA-N 1 1 330.409 0.696 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCSC[C@H]1CO ZINC000625278657 547060464 /nfs/dbraw/zinc/06/04/64/547060464.db2.gz OCEXCBFACXDYAG-CYBMUJFWSA-N 1 1 330.409 0.696 20 30 ECEDMO C=C[C@@H](O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000668163192 547599432 /nfs/dbraw/zinc/59/94/32/547599432.db2.gz VUHZMNQLKFJHQU-MRXNPFEDSA-N 1 1 346.431 0.382 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC001041777127 782181600 /nfs/dbraw/zinc/18/16/00/782181600.db2.gz IFIDQQKERTXTJF-WMLDXEAASA-N 1 1 329.404 0.411 20 30 ECEDMO O=C(CCNC(=O)C1N=CC=CC1=O)OCCC[NH+]1CCOCC1 ZINC000750891483 579360269 /nfs/dbraw/zinc/36/02/69/579360269.db2.gz STDOIOWWDKQKRV-NXVVXOECSA-N 1 1 337.376 0.168 20 30 ECEDMO CCOCC[NH+]1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 ZINC000754993901 579427522 /nfs/dbraw/zinc/42/75/22/579427522.db2.gz SWMDUHUNDRPCHV-UHFFFAOYSA-N 1 1 338.433 0.364 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(c3nccc(C)n3)CC2)CC1 ZINC000755215204 579430781 /nfs/dbraw/zinc/43/07/81/579430781.db2.gz RWLPQASCAYQNAE-UHFFFAOYSA-N 1 1 341.459 0.742 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000755908123 579440923 /nfs/dbraw/zinc/44/09/23/579440923.db2.gz CZVKNIGCJJXTRX-INIZCTEOSA-N 1 1 330.432 0.748 20 30 ECEDMO C#Cc1ccc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000758269077 579469901 /nfs/dbraw/zinc/46/99/01/579469901.db2.gz AQVDURXKMGHPEG-OAHLLOKOSA-N 1 1 335.429 0.254 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@@](C)(CC)C2)c1=O ZINC000758399226 579472511 /nfs/dbraw/zinc/47/25/11/579472511.db2.gz WLIFMKRMQXFDRE-QGZVFWFLSA-N 1 1 334.420 0.623 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@@](C)(CC)C2)c1=O ZINC000758399226 579472512 /nfs/dbraw/zinc/47/25/12/579472512.db2.gz WLIFMKRMQXFDRE-QGZVFWFLSA-N 1 1 334.420 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000730274331 578304335 /nfs/dbraw/zinc/30/43/35/578304335.db2.gz OMYMDCKLHXOERG-HNNXBMFYSA-N 1 1 335.429 0.772 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000730274331 578304336 /nfs/dbraw/zinc/30/43/36/578304336.db2.gz OMYMDCKLHXOERG-HNNXBMFYSA-N 1 1 335.429 0.772 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(OCC(=O)NCC)c1 ZINC000730279831 578304490 /nfs/dbraw/zinc/30/44/90/578304490.db2.gz GRHIRQAYCSOBFB-KRWDZBQOSA-N 1 1 343.427 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(OCC(=O)NCC)c1 ZINC000730279831 578304491 /nfs/dbraw/zinc/30/44/91/578304491.db2.gz GRHIRQAYCSOBFB-KRWDZBQOSA-N 1 1 343.427 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000730285767 578304618 /nfs/dbraw/zinc/30/46/18/578304618.db2.gz IAPNCKORYKSPJU-RBUKOAKNSA-N 1 1 341.455 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000730285767 578304620 /nfs/dbraw/zinc/30/46/20/578304620.db2.gz IAPNCKORYKSPJU-RBUKOAKNSA-N 1 1 341.455 0.962 20 30 ECEDMO O=C(NCC[NH2+]Cc1cnn(-c2ccccc2)n1)C1N=CC=CC1=O ZINC000733333948 578336167 /nfs/dbraw/zinc/33/61/67/578336167.db2.gz YQWYVMOEBXAEFS-WUKNDPDISA-N 1 1 338.371 0.883 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000734467853 578360503 /nfs/dbraw/zinc/36/05/03/578360503.db2.gz MQKOXKCAFKNQHH-KRWDZBQOSA-N 1 1 328.416 0.199 20 30 ECEDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000795704240 578619257 /nfs/dbraw/zinc/61/92/57/578619257.db2.gz XUAXSTXHEYUBIK-ZBFHGGJFSA-N 1 1 342.443 0.961 20 30 ECEDMO CNC(=O)[C@]1(C)CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000797526175 578634419 /nfs/dbraw/zinc/63/44/19/578634419.db2.gz YPRAKFAMSFKCTH-GOSISDBHSA-N 1 1 339.399 0.878 20 30 ECEDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000797526175 578634420 /nfs/dbraw/zinc/63/44/20/578634420.db2.gz YPRAKFAMSFKCTH-GOSISDBHSA-N 1 1 339.399 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000799068141 578656784 /nfs/dbraw/zinc/65/67/84/578656784.db2.gz OSDMOAZYPOANQM-MAUKXSAKSA-N 1 1 336.432 0.902 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000799068141 578656786 /nfs/dbraw/zinc/65/67/86/578656786.db2.gz OSDMOAZYPOANQM-MAUKXSAKSA-N 1 1 336.432 0.902 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cnoc1C ZINC000799469925 578665656 /nfs/dbraw/zinc/66/56/56/578665656.db2.gz IRMJIIJPYWAKOD-UHFFFAOYSA-N 1 1 325.438 0.893 20 30 ECEDMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000782583594 578728128 /nfs/dbraw/zinc/72/81/28/578728128.db2.gz DYNIAHCTRQRCOY-CYBMUJFWSA-N 1 1 330.388 0.985 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCCO1 ZINC000787637139 578811941 /nfs/dbraw/zinc/81/19/41/578811941.db2.gz JYDOCZXDLVOBQJ-RRFJBIMHSA-N 1 1 349.456 0.764 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000787663025 578812774 /nfs/dbraw/zinc/81/27/74/578812774.db2.gz AYMUHNPLNJGPKO-SNVBAGLBSA-N 1 1 332.242 0.859 20 30 ECEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNC2=NC(=O)C(=O)N2)c1C ZINC000765595807 579069680 /nfs/dbraw/zinc/06/96/80/579069680.db2.gz PKAFMECBKVMPKV-AWEZNQCLSA-N 1 1 344.419 0.525 20 30 ECEDMO C#C[C@@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1CCCO1 ZINC000773308980 579224543 /nfs/dbraw/zinc/22/45/43/579224543.db2.gz FOKLTIKGVMSYDU-HUUCEWRRSA-N 1 1 336.436 0.019 20 30 ECEDMO C#C[C@H]([NH2+][C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 ZINC000775789968 579271185 /nfs/dbraw/zinc/27/11/85/579271185.db2.gz NRYURULPQUIVJH-APIJFGDWSA-N 1 1 342.461 0.181 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1nc(CC(=O)OC)cs1)[C@@H]1CCCO1 ZINC000775792191 579271429 /nfs/dbraw/zinc/27/14/29/579271429.db2.gz YKDPDJQUIGWPQB-NEPJUHHUSA-N 1 1 337.401 0.568 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000776592704 579285444 /nfs/dbraw/zinc/28/54/44/579285444.db2.gz KWAZDKMBLXNKKF-MRXNPFEDSA-N 1 1 343.427 0.584 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2N=NC(=O)N2CC)CC1 ZINC000764650841 579579179 /nfs/dbraw/zinc/57/91/79/579579179.db2.gz VKSLIGALCWXGRX-AWEZNQCLSA-N 1 1 331.420 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2N=NC(=O)N2CC)CC1 ZINC000764650841 579579180 /nfs/dbraw/zinc/57/91/80/579579180.db2.gz VKSLIGALCWXGRX-AWEZNQCLSA-N 1 1 331.420 0.807 20 30 ECEDMO C#CCNC(=O)COC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000741344847 579772559 /nfs/dbraw/zinc/77/25/59/579772559.db2.gz JTWWLRZOWXFEKN-UHFFFAOYSA-N 1 1 347.390 0.874 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@H](CC(C)C)C2)c1=O ZINC000744438144 579809531 /nfs/dbraw/zinc/80/95/31/579809531.db2.gz VWBPNDQJWOQRSS-OAHLLOKOSA-N 1 1 348.447 0.869 20 30 ECEDMO C#CCN1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000747393981 579851811 /nfs/dbraw/zinc/85/18/11/579851811.db2.gz JWIDQPIOGFOEME-UHFFFAOYSA-N 1 1 326.404 0.425 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@H](C)CC2)c1=O ZINC000748084848 579856519 /nfs/dbraw/zinc/85/65/19/579856519.db2.gz WIBLFMMMFSQOMG-AWEZNQCLSA-N 1 1 334.420 0.623 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000835833875 588918544 /nfs/dbraw/zinc/91/85/44/588918544.db2.gz QHPGLPWYKBPVKQ-OKILXGFUSA-N 1 1 329.400 0.520 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000835833875 588918546 /nfs/dbraw/zinc/91/85/46/588918546.db2.gz QHPGLPWYKBPVKQ-OKILXGFUSA-N 1 1 329.400 0.520 20 30 ECEDMO C=C(C[NH+](C)C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C ZINC000840562291 588969820 /nfs/dbraw/zinc/96/98/20/588969820.db2.gz DBOCSHKQERYAOY-LBPRGKRZSA-N 1 1 346.449 0.072 20 30 ECEDMO COC(=O)[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[N@@H+](C)C1 ZINC000840959559 588975763 /nfs/dbraw/zinc/97/57/63/588975763.db2.gz YTBIXLZSJCGUIV-AWEZNQCLSA-N 1 1 327.388 0.743 20 30 ECEDMO C=C(Br)CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000841742997 588999857 /nfs/dbraw/zinc/99/98/57/588999857.db2.gz BDPPOAJMQSVJMH-NSHDSACASA-N 1 1 345.241 0.501 20 30 ECEDMO C#CC[C@@H]1NC(=O)N([C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1=O ZINC000842245462 589024172 /nfs/dbraw/zinc/02/41/72/589024172.db2.gz WRFAIMZOUXVZJM-GJZGRUSLSA-N 1 1 341.415 0.536 20 30 ECEDMO N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000804732554 586063081 /nfs/dbraw/zinc/06/30/81/586063081.db2.gz SFZIYTJHAJTDIW-HNNXBMFYSA-N 1 1 344.390 0.914 20 30 ECEDMO CC#CC[C@@H](CO)[NH2+]Cc1cn(C)nc1I ZINC000895103252 586162678 /nfs/dbraw/zinc/16/26/78/586162678.db2.gz PZKCOYWCMRZNSB-JTQLQIEISA-N 1 1 333.173 0.889 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000891608040 586181082 /nfs/dbraw/zinc/18/10/82/586181082.db2.gz UOIXFZDCQWZSND-QGZVFWFLSA-N 1 1 340.427 0.784 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000891608040 586181083 /nfs/dbraw/zinc/18/10/83/586181083.db2.gz UOIXFZDCQWZSND-QGZVFWFLSA-N 1 1 340.427 0.784 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)nn1 ZINC000895445704 586183436 /nfs/dbraw/zinc/18/34/36/586183436.db2.gz KUSWYWDDPSPAIF-GJZGRUSLSA-N 1 1 334.424 0.205 20 30 ECEDMO Cc1c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cnn1CCC#N ZINC000896212462 586227872 /nfs/dbraw/zinc/22/78/72/586227872.db2.gz JTNQFXWTYXPGDA-JKSUJKDBSA-N 1 1 331.420 0.776 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC000896488572 586243871 /nfs/dbraw/zinc/24/38/71/586243871.db2.gz IFCFVAHYFVTKRA-ZIAGYGMSSA-N 1 1 344.419 0.158 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC000896488572 586243872 /nfs/dbraw/zinc/24/38/72/586243872.db2.gz IFCFVAHYFVTKRA-ZIAGYGMSSA-N 1 1 344.419 0.158 20 30 ECEDMO C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896546278 586251167 /nfs/dbraw/zinc/25/11/67/586251167.db2.gz UUVVSPBZRAIQCA-BMGDILEWSA-N 1 1 339.443 0.991 20 30 ECEDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000892818107 586293678 /nfs/dbraw/zinc/29/36/78/586293678.db2.gz IREDHGGHTVIHOG-GDBMZVCRSA-N 1 1 349.431 0.897 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@@](C)(C#N)C3)C2)CC1 ZINC000893022431 586306113 /nfs/dbraw/zinc/30/61/13/586306113.db2.gz LNGJRNLLPBRBAT-YOEHRIQHSA-N 1 1 335.452 0.479 20 30 ECEDMO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCO[C@@](C)(C#N)C3)C2)CC1 ZINC000893022431 586306115 /nfs/dbraw/zinc/30/61/15/586306115.db2.gz LNGJRNLLPBRBAT-YOEHRIQHSA-N 1 1 335.452 0.479 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)c2ccccc2OCC#N)CC[N@H+](C)C1 ZINC000840501012 586310441 /nfs/dbraw/zinc/31/04/41/586310441.db2.gz NEGZVBCBDWADPV-ZDUSSCGKSA-N 1 1 331.372 0.766 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)c2ccccc2OCC#N)CC[N@@H+](C)C1 ZINC000840501012 586310443 /nfs/dbraw/zinc/31/04/43/586310443.db2.gz NEGZVBCBDWADPV-ZDUSSCGKSA-N 1 1 331.372 0.766 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)COc2ccc(C#N)cc2)C1 ZINC000898258107 586411563 /nfs/dbraw/zinc/41/15/63/586411563.db2.gz FWMNVGKSXMHSGT-UHFFFAOYSA-N 1 1 347.415 0.743 20 30 ECEDMO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH+]2CC(CC#N)C2)CCC1 ZINC000899891929 586511641 /nfs/dbraw/zinc/51/16/41/586511641.db2.gz NADDAFWGKSKSEZ-CYBMUJFWSA-N 1 1 329.466 0.833 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1)C(=O)N(C)CCC#N ZINC000901611654 586712474 /nfs/dbraw/zinc/71/24/74/586712474.db2.gz AADPFYKDZDROMM-VXGBXAGGSA-N 1 1 326.397 0.887 20 30 ECEDMO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000843400720 589065872 /nfs/dbraw/zinc/06/58/72/589065872.db2.gz BXDPIVSCGLZAGB-ZDUSSCGKSA-N 1 1 348.432 0.832 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000806041355 586954018 /nfs/dbraw/zinc/95/40/18/586954018.db2.gz VZQCQSCQTVQIRU-SWLSCSKDSA-N 1 1 344.415 0.782 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC[N@H+]1C ZINC000806041655 586954026 /nfs/dbraw/zinc/95/40/26/586954026.db2.gz JGFWLHIPSIAHTR-BXUZGUMPSA-N 1 1 332.379 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000804558479 587087905 /nfs/dbraw/zinc/08/79/05/587087905.db2.gz ZECXBXAMEZHQED-GDZNZVCISA-N 1 1 332.404 0.063 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000804558479 587087907 /nfs/dbraw/zinc/08/79/07/587087907.db2.gz ZECXBXAMEZHQED-GDZNZVCISA-N 1 1 332.404 0.063 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000809313926 587175192 /nfs/dbraw/zinc/17/51/92/587175192.db2.gz YUZIGYDSHNXXGB-UGUYLWEFSA-N 1 1 335.448 0.520 20 30 ECEDMO CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)n1ncc(C#N)c1N ZINC000810203630 587191464 /nfs/dbraw/zinc/19/14/64/587191464.db2.gz PVKQPPBNNRCDRX-GFCCVEGCSA-N 1 1 329.364 0.474 20 30 ECEDMO CC(C[C@@H]1CCC(=O)N1)=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000811631917 587222625 /nfs/dbraw/zinc/22/26/25/587222625.db2.gz SABWNFTYOXBRHP-ZDUSSCGKSA-N 1 1 341.481 0.217 20 30 ECEDMO C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)[C@@H]2C1 ZINC000815704064 587296307 /nfs/dbraw/zinc/29/63/07/587296307.db2.gz URQSJMSKFLVSMW-SMDDNHRTSA-N 1 1 346.362 0.829 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(NC(=O)OC)cc1 ZINC000815861113 587300724 /nfs/dbraw/zinc/30/07/24/587300724.db2.gz RATSZOZDYFBFEX-UHFFFAOYSA-N 1 1 346.387 0.875 20 30 ECEDMO C=CCOc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1OC ZINC000816997447 587331926 /nfs/dbraw/zinc/33/19/26/587331926.db2.gz LBWGHKCBEQEXEN-UHFFFAOYSA-N 1 1 347.415 0.940 20 30 ECEDMO C#CCCOc1ccc(C(=O)NCC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000844142747 589096664 /nfs/dbraw/zinc/09/66/64/589096664.db2.gz FVCXKYMVXLYMLO-UHFFFAOYSA-N 1 1 343.427 0.983 20 30 ECEDMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CCCN(O)C1=O ZINC000820476851 587536343 /nfs/dbraw/zinc/53/63/43/587536343.db2.gz QLCFKXWRGZMGCR-CVEARBPZSA-N 1 1 347.415 0.774 20 30 ECEDMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CCCN(O)C1=O ZINC000820476851 587536345 /nfs/dbraw/zinc/53/63/45/587536345.db2.gz QLCFKXWRGZMGCR-CVEARBPZSA-N 1 1 347.415 0.774 20 30 ECEDMO C#CCCOc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000822321877 587653635 /nfs/dbraw/zinc/65/36/35/587653635.db2.gz WLLHKKUGOJTETP-UHFFFAOYSA-N 1 1 329.400 0.768 20 30 ECEDMO C#C[C@H](NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CCOCC1 ZINC000823158163 587706436 /nfs/dbraw/zinc/70/64/36/587706436.db2.gz COUQTRKBZIUFHQ-IRXDYDNUSA-N 1 1 335.448 0.655 20 30 ECEDMO C[N@H+]1C[C@@H]2CCCN(C(=O)NCCNC(=O)C3N=CC=CC3=O)[C@@H]2C1 ZINC000824321569 587868162 /nfs/dbraw/zinc/86/81/62/587868162.db2.gz UZBAULGPCFMWKA-UBQVSUSGSA-N 1 1 347.419 0.248 20 30 ECEDMO CON=C(C(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1csc(N)n1 ZINC000824910124 587903092 /nfs/dbraw/zinc/90/30/92/587903092.db2.gz GJQKYHYFRQDDGF-SNVBAGLBSA-N 1 1 325.438 0.924 20 30 ECEDMO C#CC[C@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000829798642 588342244 /nfs/dbraw/zinc/34/22/44/588342244.db2.gz BOCNPDWHOOCMRA-AWEZNQCLSA-N 1 1 343.431 0.559 20 30 ECEDMO COC(=O)C1(C#N)CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000867352485 589107365 /nfs/dbraw/zinc/10/73/65/589107365.db2.gz ODLNZUKKSYWYMA-UHFFFAOYSA-N 1 1 329.422 0.189 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(-c2nncnn2)cc1 ZINC000845220812 589138992 /nfs/dbraw/zinc/13/89/92/589138992.db2.gz NVANOPOYDVJXCX-UHFFFAOYSA-N 1 1 339.403 0.688 20 30 ECEDMO CN1CCC[NH+]=C1NCCCCN1CCN(c2ncccn2)CC1 ZINC000849111692 589320663 /nfs/dbraw/zinc/32/06/63/589320663.db2.gz AFPQJECHZUKIJB-UHFFFAOYSA-N 1 1 331.468 0.660 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000850712772 589381442 /nfs/dbraw/zinc/38/14/42/589381442.db2.gz RMUVINAFGXLBLE-INIZCTEOSA-N 1 1 337.464 0.675 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000852335503 589491353 /nfs/dbraw/zinc/49/13/53/589491353.db2.gz IJWHYHAAEBDUPH-IYBDPMFKSA-N 1 1 339.395 0.243 20 30 ECEDMO C#CCOCCN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000853019929 589529568 /nfs/dbraw/zinc/52/95/68/589529568.db2.gz OAVNEXIRRZRSME-SFHVURJKSA-N 1 1 327.384 0.833 20 30 ECEDMO O=[S@@]1CCCC(=NNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000853267512 589539316 /nfs/dbraw/zinc/53/93/16/589539316.db2.gz SFCPGBMDPUJUME-JOCHJYFZSA-N 1 1 346.522 0.461 20 30 ECEDMO C#CCCN(CCOC)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000853284169 589539534 /nfs/dbraw/zinc/53/95/34/589539534.db2.gz RVPJEUINYRLHFV-QGZVFWFLSA-N 1 1 338.496 0.940 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)C[C@H]2CC2(C)C)c1=O ZINC000853626631 589552749 /nfs/dbraw/zinc/55/27/49/589552749.db2.gz BYOLEGWAAZECLN-CYBMUJFWSA-N 1 1 334.420 0.479 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)C[C@H]2CC2(C)C)c1=O ZINC000853626631 589552751 /nfs/dbraw/zinc/55/27/51/589552751.db2.gz BYOLEGWAAZECLN-CYBMUJFWSA-N 1 1 334.420 0.479 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000853877309 589562811 /nfs/dbraw/zinc/56/28/11/589562811.db2.gz UFGFBEUQYYFOOF-KGLIPLIRSA-N 1 1 339.436 0.692 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000853877309 589562812 /nfs/dbraw/zinc/56/28/12/589562812.db2.gz UFGFBEUQYYFOOF-KGLIPLIRSA-N 1 1 339.436 0.692 20 30 ECEDMO C#C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C1CCOCC1 ZINC000856119908 589654950 /nfs/dbraw/zinc/65/49/50/589654950.db2.gz XHQSFIRDVYNAFU-KURKYZTESA-N 1 1 344.459 1.000 20 30 ECEDMO CCc1noc(C[C@]2(O)CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000856669784 589669754 /nfs/dbraw/zinc/66/97/54/589669754.db2.gz BZQJQPLHSGUORZ-SUMWQHHRSA-N 1 1 349.435 0.762 20 30 ECEDMO CCc1noc(C[C@]2(O)CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000856669784 589669756 /nfs/dbraw/zinc/66/97/56/589669756.db2.gz BZQJQPLHSGUORZ-SUMWQHHRSA-N 1 1 349.435 0.762 20 30 ECEDMO CCc1noc(C[C@@]2(O)CCC[N@@H+](CC(=O)N(CC)CCC#N)C2)n1 ZINC000856674882 589670051 /nfs/dbraw/zinc/67/00/51/589670051.db2.gz QIDBRHZERFFACQ-KRWDZBQOSA-N 1 1 349.435 0.764 20 30 ECEDMO CCc1noc(C[C@@]2(O)CCC[N@H+](CC(=O)N(CC)CCC#N)C2)n1 ZINC000856674882 589670052 /nfs/dbraw/zinc/67/00/52/589670052.db2.gz QIDBRHZERFFACQ-KRWDZBQOSA-N 1 1 349.435 0.764 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@H]3CCC[C@H]32)CC1 ZINC000859951110 589731013 /nfs/dbraw/zinc/73/10/13/589731013.db2.gz JOTYHHIUAIKEHO-IXDOHACOSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000858238637 589734486 /nfs/dbraw/zinc/73/44/86/589734486.db2.gz KVWUWSSSPASKCF-JKSUJKDBSA-N 1 1 336.480 0.883 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000858238637 589734487 /nfs/dbraw/zinc/73/44/87/589734487.db2.gz KVWUWSSSPASKCF-JKSUJKDBSA-N 1 1 336.480 0.883 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000859038216 589794917 /nfs/dbraw/zinc/79/49/17/589794917.db2.gz JYPSAAQWTWLXHR-AWEZNQCLSA-N 1 1 327.425 0.013 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000859292266 589817917 /nfs/dbraw/zinc/81/79/17/589817917.db2.gz VYXMIYOIHXZXMY-ILXRZTDVSA-N 1 1 331.372 0.728 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)c1 ZINC000118124593 589836100 /nfs/dbraw/zinc/83/61/00/589836100.db2.gz JUEKKUWMGZBFCH-MRXNPFEDSA-N 1 1 329.400 0.833 20 30 ECEDMO N#CCCNS(=O)(=O)c1ccc(C(=O)OCC[NH+]2CCC2)cc1 ZINC000861384559 589844369 /nfs/dbraw/zinc/84/43/69/589844369.db2.gz BOPBOQPLAQHSHM-UHFFFAOYSA-N 1 1 337.401 0.741 20 30 ECEDMO C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867947331 589864424 /nfs/dbraw/zinc/86/44/24/589864424.db2.gz CTSYTQXBFQEMOC-XHDPSFHLSA-N 1 1 335.429 0.637 20 30 ECEDMO C#C[C@@H](NC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)[C@@H]1CCCO1 ZINC000868514420 589911275 /nfs/dbraw/zinc/91/12/75/589911275.db2.gz WUZJLFJTENDMKP-SJORKVTESA-N 1 1 334.464 0.589 20 30 ECEDMO Cc1nnc(C=NNC(=S)NCCC[NH+]2CCOCC2)s1 ZINC000863068582 589989530 /nfs/dbraw/zinc/98/95/30/589989530.db2.gz HHYOWMVCQZTKAC-UHFFFAOYSA-N 1 1 328.467 0.367 20 30 ECEDMO C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000871050434 590047095 /nfs/dbraw/zinc/04/70/95/590047095.db2.gz LFUIWWZPQGZUMZ-UONOGXRCSA-N 1 1 332.452 0.844 20 30 ECEDMO COC(=O)CCN(CC#N)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000871347387 590060969 /nfs/dbraw/zinc/06/09/69/590060969.db2.gz BQSAPYUWBDMEKP-GJZGRUSLSA-N 1 1 347.419 0.371 20 30 ECEDMO C=C(Cl)C[C@@H]1NC(=O)N(C2CC[NH+](CC(=O)N(C)C)CC2)C1=O ZINC000865302816 590138240 /nfs/dbraw/zinc/13/82/40/590138240.db2.gz VCLWIPBJGRVANC-LBPRGKRZSA-N 1 1 342.827 0.602 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000873024010 590179824 /nfs/dbraw/zinc/17/98/24/590179824.db2.gz DVOBJKRTWDVMPR-GOOCMWNKSA-N 1 1 341.477 0.597 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000873774313 590201268 /nfs/dbraw/zinc/20/12/68/590201268.db2.gz JFFJZACAWDHEIN-XHDPSFHLSA-N 1 1 348.378 0.780 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000873774313 590201270 /nfs/dbraw/zinc/20/12/70/590201270.db2.gz JFFJZACAWDHEIN-XHDPSFHLSA-N 1 1 348.378 0.780 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)nn1CCC#N ZINC000874175557 590224811 /nfs/dbraw/zinc/22/48/11/590224811.db2.gz XBMKBOZTJQEZJC-KGLIPLIRSA-N 1 1 344.419 0.596 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1C#N ZINC000874174462 590224847 /nfs/dbraw/zinc/22/48/47/590224847.db2.gz KSMWCUQGQTUGGP-ZIAGYGMSSA-N 1 1 327.388 0.753 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000875121641 590272921 /nfs/dbraw/zinc/27/29/21/590272921.db2.gz CINPWMLTWOALRO-HUUCEWRRSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000875122961 590273141 /nfs/dbraw/zinc/27/31/41/590273141.db2.gz QOFGDIMHWWLUIU-QKPAOTATSA-N 1 1 337.464 0.624 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000875302545 590291356 /nfs/dbraw/zinc/29/13/56/590291356.db2.gz CCZZZTSFDSSITC-MRXNPFEDSA-N 1 1 349.406 0.528 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000875595895 590311813 /nfs/dbraw/zinc/31/18/13/590311813.db2.gz FHJSYWBXPQWYOQ-HOCLYGCPSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000875600221 590312969 /nfs/dbraw/zinc/31/29/69/590312969.db2.gz WUUKRJGVJBNMBN-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO CN1C(=O)[C@H]2C[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@H]2C1=O ZINC000879533611 590320112 /nfs/dbraw/zinc/32/01/12/590320112.db2.gz PUEUWJBGMIGVJS-QLFBSQMISA-N 1 1 338.367 0.210 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000879580700 590324569 /nfs/dbraw/zinc/32/45/69/590324569.db2.gz JIIRZWUHEZGNSU-KURKYZTESA-N 1 1 347.507 0.705 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879973291 590357102 /nfs/dbraw/zinc/35/71/02/590357102.db2.gz XMXFSGHLDBULGA-OWCLPIDISA-N 1 1 335.448 0.258 20 30 ECEDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876281772 590370988 /nfs/dbraw/zinc/37/09/88/590370988.db2.gz LYHPSPZHCOZUPA-CXAGYDPISA-N 1 1 328.416 0.733 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876281772 590370990 /nfs/dbraw/zinc/37/09/90/590370990.db2.gz LYHPSPZHCOZUPA-CXAGYDPISA-N 1 1 328.416 0.733 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](CF)C3)CC2)o1 ZINC000880297212 590382130 /nfs/dbraw/zinc/38/21/30/590382130.db2.gz KQPNUIZTULOYCP-ZDUSSCGKSA-N 1 1 335.383 0.795 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC(=O)NCC23COC3)c1 ZINC000880401759 590390467 /nfs/dbraw/zinc/39/04/67/590390467.db2.gz ZMCTYDOBERCBNX-UHFFFAOYSA-N 1 1 328.372 0.478 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC(=O)NCC23COC3)c1 ZINC000880401759 590390470 /nfs/dbraw/zinc/39/04/70/590390470.db2.gz ZMCTYDOBERCBNX-UHFFFAOYSA-N 1 1 328.372 0.478 20 30 ECEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000876757768 590410637 /nfs/dbraw/zinc/41/06/37/590410637.db2.gz DUECWFYFKPMOQL-QGZVFWFLSA-N 1 1 332.448 0.749 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000877892796 590485196 /nfs/dbraw/zinc/48/51/96/590485196.db2.gz FBIINDSPQZGKGJ-QZTJIDSGSA-N 1 1 347.459 0.391 20 30 ECEDMO Cn1nnnc1CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000878390042 590518985 /nfs/dbraw/zinc/51/89/85/590518985.db2.gz CFLVNDIQLZXCQN-OAHLLOKOSA-N 1 1 329.383 0.774 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785573 590542282 /nfs/dbraw/zinc/54/22/82/590542282.db2.gz STKCRJRWZIKQOZ-CQSZACIVSA-N 1 1 330.388 0.034 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785573 590542284 /nfs/dbraw/zinc/54/22/84/590542284.db2.gz STKCRJRWZIKQOZ-CQSZACIVSA-N 1 1 330.388 0.034 20 30 ECEDMO C#CC[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C1CSC1 ZINC000878913531 590550938 /nfs/dbraw/zinc/55/09/38/590550938.db2.gz SWSFKSMSVDUHBH-UHFFFAOYSA-N 1 1 326.443 0.763 20 30 ECEDMO C#CC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)C1CSC1 ZINC000878913531 590550941 /nfs/dbraw/zinc/55/09/41/590550941.db2.gz SWSFKSMSVDUHBH-UHFFFAOYSA-N 1 1 326.443 0.763 20 30 ECEDMO C#C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000883912262 590683529 /nfs/dbraw/zinc/68/35/29/590683529.db2.gz LUAOLOLQWPVQHR-QZTJIDSGSA-N 1 1 348.491 0.838 20 30 ECEDMO N#C[C@@]12CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@@H]1CS(=O)(=O)C2 ZINC000885310541 590712639 /nfs/dbraw/zinc/71/26/39/590712639.db2.gz DGHIALIKMOBGHZ-KQTLUZQSSA-N 1 1 337.445 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCCN(C)S(=O)(=O)CC)C1 ZINC000884081809 590736021 /nfs/dbraw/zinc/73/60/21/590736021.db2.gz KXGBAFVVQPKQHZ-AWEZNQCLSA-N 1 1 344.481 0.055 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCN(C)S(=O)(=O)CC)C1 ZINC000884081809 590736024 /nfs/dbraw/zinc/73/60/24/590736024.db2.gz KXGBAFVVQPKQHZ-AWEZNQCLSA-N 1 1 344.481 0.055 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886043331 590787464 /nfs/dbraw/zinc/78/74/64/590787464.db2.gz AFGARMRKSCZJFM-CVEARBPZSA-N 1 1 334.464 0.670 20 30 ECEDMO COCCC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000886064778 590788653 /nfs/dbraw/zinc/78/86/53/590788653.db2.gz IITZLSHQRJNZSJ-HUUCEWRRSA-N 1 1 344.477 0.957 20 30 ECEDMO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1COC[C@H]1O ZINC000886512916 590855373 /nfs/dbraw/zinc/85/53/73/590855373.db2.gz PIMGZFLNKFYSJO-APHBMKBZSA-N 1 1 338.367 0.915 20 30 ECEDMO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1COC[C@H]1O ZINC000886512916 590855376 /nfs/dbraw/zinc/85/53/76/590855376.db2.gz PIMGZFLNKFYSJO-APHBMKBZSA-N 1 1 338.367 0.915 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000135573171 590928881 /nfs/dbraw/zinc/92/88/81/590928881.db2.gz YBNBVIQSDNHXKU-INIZCTEOSA-N 1 1 329.448 0.507 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000135573171 590928884 /nfs/dbraw/zinc/92/88/84/590928884.db2.gz YBNBVIQSDNHXKU-INIZCTEOSA-N 1 1 329.448 0.507 20 30 ECEDMO C#CC1(F)CN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890129417 591134127 /nfs/dbraw/zinc/13/41/27/591134127.db2.gz PGQWCDXMSOKNLB-OAHLLOKOSA-N 1 1 338.427 0.150 20 30 ECEDMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(CC#N)n3)[C@@H]2C1 ZINC000890340235 591149083 /nfs/dbraw/zinc/14/90/83/591149083.db2.gz IGAVHQKKHBCNBI-GXTWGEPZSA-N 1 1 327.388 0.639 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)C1 ZINC000890365856 591151918 /nfs/dbraw/zinc/15/19/18/591151918.db2.gz ZUVDLFMGANIEFL-YESZJQIVSA-N 1 1 349.475 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)C1 ZINC000890365856 591151919 /nfs/dbraw/zinc/15/19/19/591151919.db2.gz ZUVDLFMGANIEFL-YESZJQIVSA-N 1 1 349.475 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000890370563 591152772 /nfs/dbraw/zinc/15/27/72/591152772.db2.gz BMAMVJJZNCQTSF-DLBZAZTESA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000890370563 591152775 /nfs/dbraw/zinc/15/27/75/591152775.db2.gz BMAMVJJZNCQTSF-DLBZAZTESA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000890370990 591153450 /nfs/dbraw/zinc/15/34/50/591153450.db2.gz KAEQUJVNSRAWFW-QZTJIDSGSA-N 1 1 348.491 0.980 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000890370990 591153452 /nfs/dbraw/zinc/15/34/52/591153452.db2.gz KAEQUJVNSRAWFW-QZTJIDSGSA-N 1 1 348.491 0.980 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946605035 611362283 /nfs/dbraw/zinc/36/22/83/611362283.db2.gz FTTAJVNXFCDFAJ-OKILXGFUSA-N 1 1 326.462 0.778 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C ZINC000947998895 611375841 /nfs/dbraw/zinc/37/58/41/611375841.db2.gz QNZSVXCLZQVFNO-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cccnc2-n2cncn2)C1 ZINC000930073229 611387349 /nfs/dbraw/zinc/38/73/49/611387349.db2.gz XKYQZVFOVVWTNN-CYBMUJFWSA-N 1 1 325.376 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccnc2-n2cncn2)C1 ZINC000930073229 611387350 /nfs/dbraw/zinc/38/73/50/611387350.db2.gz XKYQZVFOVVWTNN-CYBMUJFWSA-N 1 1 325.376 0.881 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3CC)CC[C@@H]2C1 ZINC000946654071 611391553 /nfs/dbraw/zinc/39/15/53/611391553.db2.gz VSJLWULFRWGGLS-KSZLIROESA-N 1 1 333.476 0.901 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC[C@@H]2C1 ZINC000946667799 611403676 /nfs/dbraw/zinc/40/36/76/611403676.db2.gz HQJYPOJIXUBYJS-BBWFWOEESA-N 1 1 346.475 0.971 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1C ZINC000948071324 611407996 /nfs/dbraw/zinc/40/79/96/611407996.db2.gz WXTQUZBBBWNZCM-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)no1 ZINC000946699152 611422457 /nfs/dbraw/zinc/42/24/57/611422457.db2.gz DZCZAGVHOOXGND-UHFFFAOYSA-N 1 1 344.415 0.870 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)CC[C@@H]2C1 ZINC000946710428 611429487 /nfs/dbraw/zinc/42/94/87/611429487.db2.gz MRJLJDUKTZISBU-CALCHBBNSA-N 1 1 348.491 0.555 20 30 ECEDMO COCCOCCOCC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000930552858 611442530 /nfs/dbraw/zinc/44/25/30/611442530.db2.gz ZFTCNPMLHBUZRP-UHFFFAOYSA-N 1 1 334.420 0.755 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@@H]([C@H](O)c3ccncc3)C2=O)C1 ZINC000925316225 611468131 /nfs/dbraw/zinc/46/81/31/611468131.db2.gz IYITXVPFGATFOE-SOUVJXGZSA-N 1 1 328.372 0.133 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H]([C@H](O)c3ccncc3)C2=O)C1 ZINC000925316225 611468135 /nfs/dbraw/zinc/46/81/35/611468135.db2.gz IYITXVPFGATFOE-SOUVJXGZSA-N 1 1 328.372 0.133 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC000930898304 611481448 /nfs/dbraw/zinc/48/14/48/611481448.db2.gz ZZIZMIORKZOLDR-KBPBESRZSA-N 1 1 332.404 0.625 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000946794018 611482620 /nfs/dbraw/zinc/48/26/20/611482620.db2.gz WKWJPRGIOKJVQD-OAHLLOKOSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC[C@@H]2C1 ZINC000946801101 611490696 /nfs/dbraw/zinc/49/06/96/611490696.db2.gz ZHBKREHHLKRESR-MJBXVCDLSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000931145267 611511054 /nfs/dbraw/zinc/51/10/54/611511054.db2.gz FGKNXQHBMNXCDD-UHFFFAOYSA-N 1 1 343.427 0.922 20 30 ECEDMO C#CC1(O)CC[NH+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 ZINC000931146420 611511363 /nfs/dbraw/zinc/51/13/63/611511363.db2.gz MOLXRCJXRRYYIF-AWEZNQCLSA-N 1 1 329.400 0.861 20 30 ECEDMO N#CCCn1ccc(NC(=O)NCCCCC[NH+]2CCNCC2)n1 ZINC000926036830 611513146 /nfs/dbraw/zinc/51/31/46/611513146.db2.gz MNHRVQQNYKXUFY-UHFFFAOYSA-N 1 1 333.440 0.994 20 30 ECEDMO Cn1[nH]c(=O)c2c1C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000931194055 611517449 /nfs/dbraw/zinc/51/74/49/611517449.db2.gz YEVHSSSODYZLOU-AWEZNQCLSA-N 1 1 342.399 0.990 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C[C@@H]1C ZINC000947478822 611553237 /nfs/dbraw/zinc/55/32/37/611553237.db2.gz HWMIVEBXDGBFEK-STQMWFEESA-N 1 1 328.376 0.535 20 30 ECEDMO COC1(OC)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1O ZINC000931636081 611558994 /nfs/dbraw/zinc/55/89/94/611558994.db2.gz MSKGSYWEPDQFJP-HNNXBMFYSA-N 1 1 333.388 0.943 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000931739880 611567357 /nfs/dbraw/zinc/56/73/57/611567357.db2.gz YGAAISDRKQVCNQ-INIZCTEOSA-N 1 1 330.388 0.988 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C[C@H]1C ZINC000947510167 611573867 /nfs/dbraw/zinc/57/38/67/611573867.db2.gz JDJNIGHSDWLKTN-CABCVRRESA-N 1 1 332.448 0.977 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C[C@H]1C ZINC000947510167 611573869 /nfs/dbraw/zinc/57/38/69/611573869.db2.gz JDJNIGHSDWLKTN-CABCVRRESA-N 1 1 332.448 0.977 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC000948416545 611582942 /nfs/dbraw/zinc/58/29/42/611582942.db2.gz IRNQOAPEILRWFN-GJZGRUSLSA-N 1 1 333.432 0.860 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@@H]1C ZINC000947592960 611610851 /nfs/dbraw/zinc/61/08/51/611610851.db2.gz IFYKOGFJEBJFAC-GJZGRUSLSA-N 1 1 341.415 0.488 20 30 ECEDMO C#CCN1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927630558 611620827 /nfs/dbraw/zinc/62/08/27/611620827.db2.gz NULWWGKOVANCNO-QGZVFWFLSA-N 1 1 334.464 0.637 20 30 ECEDMO C#CCN1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927630558 611620828 /nfs/dbraw/zinc/62/08/28/611620828.db2.gz NULWWGKOVANCNO-QGZVFWFLSA-N 1 1 334.464 0.637 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000947629837 611626138 /nfs/dbraw/zinc/62/61/38/611626138.db2.gz QJLNVEHMUVKIPF-SWLSCSKDSA-N 1 1 339.403 0.865 20 30 ECEDMO O=C(NCC#CCO)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000923771536 608626887 /nfs/dbraw/zinc/62/68/87/608626887.db2.gz SWFPAUKQQJBSAG-INIZCTEOSA-N 1 1 333.457 0.899 20 30 ECEDMO O=C(NCC#CCO)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000923771536 608626889 /nfs/dbraw/zinc/62/68/89/608626889.db2.gz SWFPAUKQQJBSAG-INIZCTEOSA-N 1 1 333.457 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC(=O)NC[C@H]2c2ccccc2)C1 ZINC000924034781 608666612 /nfs/dbraw/zinc/66/66/12/608666612.db2.gz FPFDCGMKENNNAE-IRXDYDNUSA-N 1 1 340.427 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC(=O)NC[C@H]2c2ccccc2)C1 ZINC000924034781 608666614 /nfs/dbraw/zinc/66/66/14/608666614.db2.gz FPFDCGMKENNNAE-IRXDYDNUSA-N 1 1 340.427 0.967 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC000949470830 608694044 /nfs/dbraw/zinc/69/40/44/608694044.db2.gz LIAGIALPUIXDLL-UHFFFAOYSA-N 1 1 343.427 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1ncc[nH]1 ZINC000937394842 608701786 /nfs/dbraw/zinc/70/17/86/608701786.db2.gz OJEYGGDUKWZTLX-GJZGRUSLSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1ncc[nH]1 ZINC000937394842 608701789 /nfs/dbraw/zinc/70/17/89/608701789.db2.gz OJEYGGDUKWZTLX-GJZGRUSLSA-N 1 1 343.431 0.618 20 30 ECEDMO N#Cc1ccc(OCCC[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000933103244 608713707 /nfs/dbraw/zinc/71/37/07/608713707.db2.gz DERMMIULODCVQI-AWEZNQCLSA-N 1 1 336.417 0.161 20 30 ECEDMO N#Cc1ccc(OCCC[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000933103244 608713709 /nfs/dbraw/zinc/71/37/09/608713709.db2.gz DERMMIULODCVQI-AWEZNQCLSA-N 1 1 336.417 0.161 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cccnn2)CC1 ZINC000947229506 608791583 /nfs/dbraw/zinc/79/15/83/608791583.db2.gz CTCQPLHLMMSNMS-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cccnn2)CC1 ZINC000947229506 608791584 /nfs/dbraw/zinc/79/15/84/608791584.db2.gz CTCQPLHLMMSNMS-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C(C)(F)F)CC1 ZINC000947229535 608791666 /nfs/dbraw/zinc/79/16/66/608791666.db2.gz CZKJRAAMCPZYRC-ZDUSSCGKSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C(C)(F)F)CC1 ZINC000947229535 608791667 /nfs/dbraw/zinc/79/16/67/608791667.db2.gz CZKJRAAMCPZYRC-ZDUSSCGKSA-N 1 1 327.375 0.846 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000936914536 608914838 /nfs/dbraw/zinc/91/48/38/608914838.db2.gz WMVOIITZRWGHIF-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CCOCC2)C1 ZINC000937593493 608935887 /nfs/dbraw/zinc/93/58/87/608935887.db2.gz FGKZSWRXNQVTOK-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CCOCC2)C1 ZINC000937593493 608935890 /nfs/dbraw/zinc/93/58/90/608935890.db2.gz FGKZSWRXNQVTOK-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CON=C(N)c2ccccc2)C1 ZINC000178114215 608948203 /nfs/dbraw/zinc/94/82/03/608948203.db2.gz DFYBGVXMSKGEPK-MRXNPFEDSA-N 1 1 348.447 0.797 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C[C@@H]1C ZINC000947722399 608964541 /nfs/dbraw/zinc/96/45/41/608964541.db2.gz JJKIJTPYWPIKCA-UONOGXRCSA-N 1 1 330.432 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2c(C)c(C)nn(C)c2=O)CC1 ZINC000948664843 611681189 /nfs/dbraw/zinc/68/11/89/611681189.db2.gz BAUCHVRLWLQSIJ-OAHLLOKOSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000937831608 609107628 /nfs/dbraw/zinc/10/76/28/609107628.db2.gz KEVUIZUKJKQQTH-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000937831608 609107631 /nfs/dbraw/zinc/10/76/31/609107631.db2.gz KEVUIZUKJKQQTH-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937851696 609114252 /nfs/dbraw/zinc/11/42/52/609114252.db2.gz HARJGMHBRUWGGS-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc1 ZINC000928452758 611690546 /nfs/dbraw/zinc/69/05/46/611690546.db2.gz MOVUERPVMRJQTM-SWLSCSKDSA-N 1 1 335.429 0.421 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000937984998 609439429 /nfs/dbraw/zinc/43/94/29/609439429.db2.gz ZQECLBUZJQNUMZ-ZOBUZTSGSA-N 1 1 346.431 0.890 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000938170022 609481411 /nfs/dbraw/zinc/48/14/11/609481411.db2.gz AZRONAOCSYRYDU-YVSFHVDLSA-N 1 1 345.443 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000938170022 609481413 /nfs/dbraw/zinc/48/14/13/609481413.db2.gz AZRONAOCSYRYDU-YVSFHVDLSA-N 1 1 345.443 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000938170842 609482639 /nfs/dbraw/zinc/48/26/39/609482639.db2.gz PMYOYSQUDMWHIQ-HOCLYGCPSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000938170842 609482642 /nfs/dbraw/zinc/48/26/42/609482642.db2.gz PMYOYSQUDMWHIQ-HOCLYGCPSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncccc2C)C1 ZINC000938171045 609483405 /nfs/dbraw/zinc/48/34/05/609483405.db2.gz UHFZTXJKDIMACY-HOTGVXAUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncccc2C)C1 ZINC000938171045 609483409 /nfs/dbraw/zinc/48/34/09/609483409.db2.gz UHFZTXJKDIMACY-HOTGVXAUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC000938171040 609483432 /nfs/dbraw/zinc/48/34/32/609483432.db2.gz SYFFIQRGCKVMCY-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC000938171040 609483435 /nfs/dbraw/zinc/48/34/35/609483435.db2.gz SYFFIQRGCKVMCY-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C ZINC000947809372 611700530 /nfs/dbraw/zinc/70/05/30/611700530.db2.gz BNRUYASYCMTYDB-KGLIPLIRSA-N 1 1 341.415 0.937 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000908011639 609637011 /nfs/dbraw/zinc/63/70/11/609637011.db2.gz KDAXGLQUZXUILU-IRXDYDNUSA-N 1 1 334.441 0.888 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000908011639 609637013 /nfs/dbraw/zinc/63/70/13/609637013.db2.gz KDAXGLQUZXUILU-IRXDYDNUSA-N 1 1 334.441 0.888 20 30 ECEDMO C=CCn1c(-c2cccnn2)nnc1N1CC[NH+](CCOC)CC1 ZINC000908704402 609658728 /nfs/dbraw/zinc/65/87/28/609658728.db2.gz XYZUOZJCLLOYLQ-UHFFFAOYSA-N 1 1 329.408 0.690 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccccc1CC#N)[C@@H]1C[N@H+](C)CCN1C ZINC000919988682 609669006 /nfs/dbraw/zinc/66/90/06/609669006.db2.gz HIHYWUFRJAHYIB-ZFWWWQNUSA-N 1 1 336.461 0.665 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccccc1CC#N)[C@@H]1C[N@@H+](C)CCN1C ZINC000919988682 609669008 /nfs/dbraw/zinc/66/90/08/609669008.db2.gz HIHYWUFRJAHYIB-ZFWWWQNUSA-N 1 1 336.461 0.665 20 30 ECEDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CCCC#N)C2 ZINC000920282600 609678051 /nfs/dbraw/zinc/67/80/51/609678051.db2.gz RUPMIVYYPOBLAL-TUVASFSCSA-N 1 1 329.466 0.689 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[N@H+]1C ZINC000920403878 609680938 /nfs/dbraw/zinc/68/09/38/609680938.db2.gz JMIDKZVTMJIOMG-CXTNEJHOSA-N 1 1 340.449 0.049 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC000947324819 609707598 /nfs/dbraw/zinc/70/75/98/609707598.db2.gz VVWXZXZWDRHOIA-OLZOCXBDSA-N 1 1 334.424 0.312 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cn2cnc3c(C)cccc3c2=O)CC1 ZINC000064442309 609721480 /nfs/dbraw/zinc/72/14/80/609721480.db2.gz JSLVYIDVFYBDLR-UHFFFAOYSA-N 1 1 338.411 0.872 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC000947999173 609752993 /nfs/dbraw/zinc/75/29/93/609752993.db2.gz VWVOBYQXWBRSPR-CHWSQXEVSA-N 1 1 334.420 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000923595213 609780639 /nfs/dbraw/zinc/78/06/39/609780639.db2.gz RPVSYNRBWFUSGA-HNNXBMFYSA-N 1 1 349.456 0.487 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000923595213 609780640 /nfs/dbraw/zinc/78/06/40/609780640.db2.gz RPVSYNRBWFUSGA-HNNXBMFYSA-N 1 1 349.456 0.487 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000076748853 611713948 /nfs/dbraw/zinc/71/39/48/611713948.db2.gz LVZGGEPDTYJBEJ-QGZVFWFLSA-N 1 1 331.416 0.231 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC000913920152 609834235 /nfs/dbraw/zinc/83/42/35/609834235.db2.gz IXMXRUKSBGULHC-KRWDZBQOSA-N 1 1 336.480 0.740 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000938539578 609857470 /nfs/dbraw/zinc/85/74/70/609857470.db2.gz KLIDGGMDEUGWBO-JSGCOSHPSA-N 1 1 329.404 0.511 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000152577162 609865711 /nfs/dbraw/zinc/86/57/11/609865711.db2.gz VYXKPDRZJDLKCE-XJKSGUPXSA-N 1 1 344.415 0.625 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000152577162 609865712 /nfs/dbraw/zinc/86/57/12/609865712.db2.gz VYXKPDRZJDLKCE-XJKSGUPXSA-N 1 1 344.415 0.625 20 30 ECEDMO CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC000914315814 609876420 /nfs/dbraw/zinc/87/64/20/609876420.db2.gz AFNQPFFHSTXGRS-VNHYZAJKSA-N 1 1 340.449 0.050 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC000914315814 609876422 /nfs/dbraw/zinc/87/64/22/609876422.db2.gz AFNQPFFHSTXGRS-VNHYZAJKSA-N 1 1 340.449 0.050 20 30 ECEDMO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000911870921 609917026 /nfs/dbraw/zinc/91/70/26/609917026.db2.gz HNKAQAKREIZRDV-SJLPKXTDSA-N 1 1 331.416 0.897 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC000938755010 609973637 /nfs/dbraw/zinc/97/36/37/609973637.db2.gz SXHPHIMVTBCYDA-CVEARBPZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC000938755010 609973641 /nfs/dbraw/zinc/97/36/41/609973641.db2.gz SXHPHIMVTBCYDA-CVEARBPZSA-N 1 1 344.415 0.374 20 30 ECEDMO N#Cc1cc(Cl)c(C(=O)NC[C@]2(CO)COCC[NH2+]2)c(Cl)c1 ZINC000913183958 610046461 /nfs/dbraw/zinc/04/64/61/610046461.db2.gz WMAFNFHCGSRSKA-AWEZNQCLSA-N 1 1 344.198 0.946 20 30 ECEDMO N#CCn1c(C(=O)NC[C@]2(CO)COCC[NH2+]2)cc2ccccc21 ZINC000913188408 610048813 /nfs/dbraw/zinc/04/88/13/610048813.db2.gz IFFMHSDULZQOJZ-KRWDZBQOSA-N 1 1 328.372 0.246 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000919598266 610050741 /nfs/dbraw/zinc/05/07/41/610050741.db2.gz USFWEWRHDIKLRO-CQSZACIVSA-N 1 1 346.497 0.755 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000919598266 610050744 /nfs/dbraw/zinc/05/07/44/610050744.db2.gz USFWEWRHDIKLRO-CQSZACIVSA-N 1 1 346.497 0.755 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000938931373 610052672 /nfs/dbraw/zinc/05/26/72/610052672.db2.gz MYSCNLLQDWDTIQ-FXUDXRNXSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000938931373 610052674 /nfs/dbraw/zinc/05/26/74/610052674.db2.gz MYSCNLLQDWDTIQ-FXUDXRNXSA-N 1 1 333.432 0.369 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000939750131 610113879 /nfs/dbraw/zinc/11/38/79/610113879.db2.gz AVIXUQMOQRPNQX-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncccn3)C2)nn1 ZINC000939277072 610146431 /nfs/dbraw/zinc/14/64/31/610146431.db2.gz KJMLFQOOKVEFPU-CHWSQXEVSA-N 1 1 327.392 0.504 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC000939560364 610235770 /nfs/dbraw/zinc/23/57/70/610235770.db2.gz OWQRKNZFHPVBEW-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cncs2)C1 ZINC000939609168 610247446 /nfs/dbraw/zinc/24/74/46/610247446.db2.gz LHMXKHLZWMTFMC-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cncs2)C1 ZINC000939609168 610247448 /nfs/dbraw/zinc/24/74/48/610247448.db2.gz LHMXKHLZWMTFMC-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC000941412524 610302714 /nfs/dbraw/zinc/30/27/14/610302714.db2.gz JEIIWTJVCVLMME-UHFFFAOYSA-N 1 1 329.448 0.847 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)CC2)C1 ZINC000941413883 610303255 /nfs/dbraw/zinc/30/32/55/610303255.db2.gz IQSPRFIPGFRCLA-INIZCTEOSA-N 1 1 343.475 0.858 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3nnn(C(C)(C)C)n3)CC2)C1 ZINC000941416469 610304237 /nfs/dbraw/zinc/30/42/37/610304237.db2.gz AGMLNWAYHHEDTQ-UHFFFAOYSA-N 1 1 333.440 0.056 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cncc4nc[nH]c43)CC2)C1 ZINC000941416584 610304612 /nfs/dbraw/zinc/30/46/12/610304612.db2.gz HAFXNEXPOAPVJS-UHFFFAOYSA-N 1 1 340.431 0.976 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456019 610318538 /nfs/dbraw/zinc/31/85/38/610318538.db2.gz KJGMHIIUUOKPEP-MJGOQNOKSA-N 1 1 344.503 0.855 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCn4nccc43)CC2)C1 ZINC000941462458 610321075 /nfs/dbraw/zinc/32/10/75/610321075.db2.gz AHDXLGFIWZIQIW-INIZCTEOSA-N 1 1 329.448 0.775 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000940659477 610326700 /nfs/dbraw/zinc/32/67/00/610326700.db2.gz ZAPNUNJSCPEFAK-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c(C)[nH]cc3NC(C)=O)CC2)C1 ZINC000941468054 610328404 /nfs/dbraw/zinc/32/84/04/610328404.db2.gz LJNYYSIMTMVRAL-UHFFFAOYSA-N 1 1 345.447 0.910 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3C(C)C)CC2)C1 ZINC000941470357 610329300 /nfs/dbraw/zinc/32/93/00/610329300.db2.gz CNGIVNNYUMYYGZ-UHFFFAOYSA-N 1 1 329.448 0.998 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCNC2=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940692654 610332676 /nfs/dbraw/zinc/33/26/76/610332676.db2.gz CRRJSXDRTQNQOB-UONOGXRCSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2nocc2C)CC1 ZINC000941465974 610334492 /nfs/dbraw/zinc/33/44/92/610334492.db2.gz ZHNXHHVOKBSACE-HNNXBMFYSA-N 1 1 344.415 0.755 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2nocc2C)CC1 ZINC000941465974 610334493 /nfs/dbraw/zinc/33/44/93/610334493.db2.gz ZHNXHHVOKBSACE-HNNXBMFYSA-N 1 1 344.415 0.755 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C(C)(C)C1 ZINC000940743821 610353069 /nfs/dbraw/zinc/35/30/69/610353069.db2.gz CNCZXMLRLBRKJO-ZDUSSCGKSA-N 1 1 333.432 0.621 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940786350 610361635 /nfs/dbraw/zinc/36/16/35/610361635.db2.gz VGZUDLWUUGSOHK-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(C)(C)C1 ZINC000940789337 610362940 /nfs/dbraw/zinc/36/29/40/610362940.db2.gz KKLDOGMIQGBJHO-CQSZACIVSA-N 1 1 348.447 0.340 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000940772553 610364911 /nfs/dbraw/zinc/36/49/11/610364911.db2.gz YTRFLTLYYJQTII-VNQPRFMTSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1 ZINC000942259787 610365028 /nfs/dbraw/zinc/36/50/28/610365028.db2.gz UKDPWPGVGMJDQA-NEPJUHHUSA-N 1 1 341.433 0.943 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567278 610376700 /nfs/dbraw/zinc/37/67/00/610376700.db2.gz PZFCHWLJMCXQEO-BBRMVZONSA-N 1 1 340.899 0.765 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC000941590464 610387117 /nfs/dbraw/zinc/38/71/17/610387117.db2.gz QLSBSHQFJDOZGT-UHFFFAOYSA-N 1 1 343.475 0.858 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000941592596 610388308 /nfs/dbraw/zinc/38/83/08/610388308.db2.gz JGZCGSFMCOBXJY-LSDHHAIUSA-N 1 1 334.464 0.293 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C(C)(C)C1 ZINC000940842720 610396046 /nfs/dbraw/zinc/39/60/46/610396046.db2.gz NHZSPTNDZOYBHQ-HNNXBMFYSA-N 1 1 328.416 0.573 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000940846514 610397785 /nfs/dbraw/zinc/39/77/85/610397785.db2.gz BDOKLDHJERIJPB-OAHLLOKOSA-N 1 1 336.480 0.553 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)c1 ZINC000941602060 610402561 /nfs/dbraw/zinc/40/25/61/610402561.db2.gz NJFAFEMQBAGXKM-MRXNPFEDSA-N 1 1 337.383 0.599 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC000941630638 610417586 /nfs/dbraw/zinc/41/75/86/610417586.db2.gz YXBNKYVHGARFQJ-HNNXBMFYSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC000941632330 610418243 /nfs/dbraw/zinc/41/82/43/610418243.db2.gz BARXTICIBGGYER-MRXNPFEDSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@H]3CC)CC2)C1 ZINC000941632458 610418582 /nfs/dbraw/zinc/41/85/82/610418582.db2.gz GVYZVFDYIMVGGC-MRXNPFEDSA-N 1 1 346.475 0.239 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000942370217 610418885 /nfs/dbraw/zinc/41/88/85/610418885.db2.gz IUDUPXTUZXYXAK-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC000941633033 610419144 /nfs/dbraw/zinc/41/91/44/610419144.db2.gz ZTJQZSBIVGFKTR-SFHVURJKSA-N 1 1 334.464 0.259 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000941638660 610424227 /nfs/dbraw/zinc/42/42/27/610424227.db2.gz SFIGOKXRNSFHET-AWEZNQCLSA-N 1 1 343.431 0.982 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000941648964 610439849 /nfs/dbraw/zinc/43/98/49/610439849.db2.gz JPJPYKIAFJMXKN-OAHLLOKOSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4cccnc4C3)CC2)C1 ZINC000941651110 610441438 /nfs/dbraw/zinc/44/14/38/610441438.db2.gz SOIXZBZUBFLQIN-KRWDZBQOSA-N 1 1 338.455 0.648 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000941671010 610444624 /nfs/dbraw/zinc/44/46/24/610444624.db2.gz DBCIOYWREZOIMD-HNNXBMFYSA-N 1 1 341.459 0.366 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000941675164 610448320 /nfs/dbraw/zinc/44/83/20/610448320.db2.gz RVTDQBVLBDQJDH-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCN(C3CN(CCC)C3)CC2)CC1 ZINC000941676878 610449322 /nfs/dbraw/zinc/44/93/22/610449322.db2.gz GIGAVRNKLMKLNK-UHFFFAOYSA-N 1 1 332.492 0.570 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000940944725 610456029 /nfs/dbraw/zinc/45/60/29/610456029.db2.gz SQYKMTNQRPEWCN-NEPJUHHUSA-N 1 1 328.844 0.979 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000940944725 610456031 /nfs/dbraw/zinc/45/60/31/610456031.db2.gz SQYKMTNQRPEWCN-NEPJUHHUSA-N 1 1 328.844 0.979 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)CC1 ZINC000940964650 610468895 /nfs/dbraw/zinc/46/88/95/610468895.db2.gz YAPUAVLFCDVITP-OAHLLOKOSA-N 1 1 343.431 0.394 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](C)C1 ZINC000942517821 610491389 /nfs/dbraw/zinc/49/13/89/610491389.db2.gz GVEWADIYHFPIGW-KGLIPLIRSA-N 1 1 329.466 0.425 20 30 ECEDMO CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000941827982 610516272 /nfs/dbraw/zinc/51/62/72/610516272.db2.gz FDHIDFISDRLQOY-MGPQQGTHSA-N 1 1 347.419 0.508 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 ZINC000941064188 610522942 /nfs/dbraw/zinc/52/29/42/610522942.db2.gz LJTYPJHHAFOBLP-QWHCGFSZSA-N 1 1 336.436 0.767 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@@H](C)C1 ZINC000942581458 610525057 /nfs/dbraw/zinc/52/50/57/610525057.db2.gz HDGYBPBNMLJIGT-JSGCOSHPSA-N 1 1 326.404 0.827 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941090233 610531249 /nfs/dbraw/zinc/53/12/49/610531249.db2.gz AKLDWVRWEQNUOV-UONOGXRCSA-N 1 1 341.477 0.260 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)CC1(C)C ZINC000941090682 610531970 /nfs/dbraw/zinc/53/19/70/610531970.db2.gz JHNLEIGLIJNZKO-LZWOXQAQSA-N 1 1 337.464 0.930 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)CC1(C)C ZINC000941090682 610531972 /nfs/dbraw/zinc/53/19/72/610531972.db2.gz JHNLEIGLIJNZKO-LZWOXQAQSA-N 1 1 337.464 0.930 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941091342 610532237 /nfs/dbraw/zinc/53/22/37/610532237.db2.gz QMEBSRIFBBXCFF-ZIAGYGMSSA-N 1 1 343.493 0.813 20 30 ECEDMO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000942596064 610534188 /nfs/dbraw/zinc/53/41/88/610534188.db2.gz QPAHIUXORXUFOP-OWCLPIDISA-N 1 1 333.432 0.226 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000941106072 610539300 /nfs/dbraw/zinc/53/93/00/610539300.db2.gz RBDYSAGLVUPLAF-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C(C)(C)C1 ZINC000941098416 610546913 /nfs/dbraw/zinc/54/69/13/610546913.db2.gz BOSPHZDZUPHQLX-CQSZACIVSA-N 1 1 341.415 0.795 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000941146084 610572754 /nfs/dbraw/zinc/57/27/54/610572754.db2.gz ZXIKDMLAVUWRFF-CYBMUJFWSA-N 1 1 348.447 0.557 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000941198877 610589405 /nfs/dbraw/zinc/58/94/05/610589405.db2.gz JJRFYUPVQDKSLT-LBPRGKRZSA-N 1 1 336.436 0.720 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000941206841 610596430 /nfs/dbraw/zinc/59/64/30/610596430.db2.gz OGWGNMBAOSNYLC-NSHDSACASA-N 1 1 342.827 0.507 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000941206841 610596432 /nfs/dbraw/zinc/59/64/32/610596432.db2.gz OGWGNMBAOSNYLC-NSHDSACASA-N 1 1 342.827 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2CCCO2)C1 ZINC000942753683 610599886 /nfs/dbraw/zinc/59/98/86/610599886.db2.gz XXERQFUXAZOBEY-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2CCCO2)C1 ZINC000942753683 610599887 /nfs/dbraw/zinc/59/98/87/610599887.db2.gz XXERQFUXAZOBEY-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941226782 610610411 /nfs/dbraw/zinc/61/04/11/610610411.db2.gz SRAJUTIJCIWRBE-KBPBESRZSA-N 1 1 343.493 0.861 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(C)n2C)C1 ZINC000941237841 610621290 /nfs/dbraw/zinc/62/12/90/610621290.db2.gz KUMIZLUVDCVDHE-CVEARBPZSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(C)n2C)C1 ZINC000941237841 610621292 /nfs/dbraw/zinc/62/12/92/610621292.db2.gz KUMIZLUVDCVDHE-CVEARBPZSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC000941237854 610621296 /nfs/dbraw/zinc/62/12/96/610621296.db2.gz KXOHUEWTOJUTRL-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC000941237854 610621297 /nfs/dbraw/zinc/62/12/97/610621297.db2.gz KXOHUEWTOJUTRL-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2(C)CCOCC2)C1 ZINC000941238042 610622043 /nfs/dbraw/zinc/62/20/43/610622043.db2.gz QTBUGIAYZVPNST-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2(C)CCOCC2)C1 ZINC000941238042 610622046 /nfs/dbraw/zinc/62/20/46/610622046.db2.gz QTBUGIAYZVPNST-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC000941238273 610622104 /nfs/dbraw/zinc/62/21/04/610622104.db2.gz XCSVANPAOGUECX-CABCVRRESA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC000941238273 610622107 /nfs/dbraw/zinc/62/21/07/610622107.db2.gz XCSVANPAOGUECX-CABCVRRESA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000941238289 610622167 /nfs/dbraw/zinc/62/21/67/610622167.db2.gz XQKBNTJTTDMRPT-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000941238289 610622168 /nfs/dbraw/zinc/62/21/68/610622168.db2.gz XQKBNTJTTDMRPT-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000942796323 610625294 /nfs/dbraw/zinc/62/52/94/610625294.db2.gz AQXCYIWMTIITHO-LSDHHAIUSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942056239 610634456 /nfs/dbraw/zinc/63/44/56/610634456.db2.gz FLYSPUWFIDSLBP-CJNGLKHVSA-N 1 1 339.403 0.572 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942057815 610635892 /nfs/dbraw/zinc/63/58/92/610635892.db2.gz PQNZAAIKMWRLLV-FZMZJTMJSA-N 1 1 345.432 0.633 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000941349656 610685945 /nfs/dbraw/zinc/68/59/45/610685945.db2.gz OZWIDMSTZYUAEP-LSDHHAIUSA-N 1 1 346.435 0.034 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1C ZINC000944215793 610787756 /nfs/dbraw/zinc/78/77/56/610787756.db2.gz UWNUMTARNOXFHF-JSGCOSHPSA-N 1 1 330.388 0.019 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1C ZINC000944215793 610787757 /nfs/dbraw/zinc/78/77/57/610787757.db2.gz UWNUMTARNOXFHF-JSGCOSHPSA-N 1 1 330.388 0.019 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@@H](C)C1 ZINC000944810584 610795311 /nfs/dbraw/zinc/79/53/11/610795311.db2.gz JFJLMGZXIQJTFX-STQMWFEESA-N 1 1 331.420 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@H]2CCOC2)C1 ZINC000943337539 610807750 /nfs/dbraw/zinc/80/77/50/610807750.db2.gz SHPSJOWQUPTPRL-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@H]2CCOC2)C1 ZINC000943337539 610807753 /nfs/dbraw/zinc/80/77/53/610807753.db2.gz SHPSJOWQUPTPRL-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC000945056581 610895165 /nfs/dbraw/zinc/89/51/65/610895165.db2.gz WFYFXFRIERKIDS-GJZGRUSLSA-N 1 1 332.448 0.939 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H](C)C1 ZINC000943644958 610926484 /nfs/dbraw/zinc/92/64/84/610926484.db2.gz BMPFPTVXHROCFO-WFASDCNBSA-N 1 1 341.415 0.795 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000944605551 611020945 /nfs/dbraw/zinc/02/09/45/611020945.db2.gz KYROCJGYGKHTCY-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC000943966099 611052913 /nfs/dbraw/zinc/05/29/13/611052913.db2.gz JQQBSBIXJQTSRX-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C)C1 ZINC000943989297 611071397 /nfs/dbraw/zinc/07/13/97/611071397.db2.gz VDVFNGCERJETEX-STQMWFEESA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCCOC1 ZINC000944097445 611130362 /nfs/dbraw/zinc/13/03/62/611130362.db2.gz DFOMNOMJLAPYEU-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCCOC1 ZINC000944097445 611130363 /nfs/dbraw/zinc/13/03/63/611130363.db2.gz DFOMNOMJLAPYEU-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)CC[C@@H]2C1 ZINC000946821164 611172822 /nfs/dbraw/zinc/17/28/22/611172822.db2.gz KCGFXEQMTLULNL-GASCZTMLSA-N 1 1 346.431 0.283 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC)C[C@H]3CC2)cn1 ZINC000946863909 611206000 /nfs/dbraw/zinc/20/60/00/611206000.db2.gz JSDGRTAKBXGURC-IYBDPMFKSA-N 1 1 340.427 0.593 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]3CC2)cn1 ZINC000946863790 611206032 /nfs/dbraw/zinc/20/60/32/611206032.db2.gz CTMVAKZUAUHGRN-CWRNSKLLSA-N 1 1 340.427 0.721 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)CC[C@@H]2C1 ZINC000946887502 611226900 /nfs/dbraw/zinc/22/69/00/611226900.db2.gz LGNIPAKSPCZZAT-CALCHBBNSA-N 1 1 346.475 0.971 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC[C@@H]2C1 ZINC000946897202 611237577 /nfs/dbraw/zinc/23/75/77/611237577.db2.gz XDOZGENXJXXIJP-QLFBSQMISA-N 1 1 341.477 0.425 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C(C)=O)CC[C@@H]2C1 ZINC000946896153 611239227 /nfs/dbraw/zinc/23/92/27/611239227.db2.gz FIEWOQHNDWOEQJ-KSZLIROESA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000923559809 611261236 /nfs/dbraw/zinc/26/12/36/611261236.db2.gz UARISDGBINRKEC-SOUVJXGZSA-N 1 1 329.400 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000923559809 611261237 /nfs/dbraw/zinc/26/12/37/611261237.db2.gz UARISDGBINRKEC-SOUVJXGZSA-N 1 1 329.400 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)C1 ZINC000923560687 611261587 /nfs/dbraw/zinc/26/15/87/611261587.db2.gz FBVQNYIILOXVCQ-QAPCUYQASA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)C1 ZINC000923560687 611261589 /nfs/dbraw/zinc/26/15/89/611261589.db2.gz FBVQNYIILOXVCQ-QAPCUYQASA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000923590183 611270398 /nfs/dbraw/zinc/27/03/98/611270398.db2.gz ZGXHPCNEAXBIIR-AWEZNQCLSA-N 1 1 346.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000923590183 611270399 /nfs/dbraw/zinc/27/03/99/611270399.db2.gz ZGXHPCNEAXBIIR-AWEZNQCLSA-N 1 1 346.431 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(N3CCOCC3)ccn2)C1 ZINC000923590972 611270883 /nfs/dbraw/zinc/27/08/83/611270883.db2.gz KBSHDYGXWGFVCT-OAHLLOKOSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(N3CCOCC3)ccn2)C1 ZINC000923590972 611270885 /nfs/dbraw/zinc/27/08/85/611270885.db2.gz KBSHDYGXWGFVCT-OAHLLOKOSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2C)C1 ZINC000923591639 611270928 /nfs/dbraw/zinc/27/09/28/611270928.db2.gz AEWDILQSRMMMMC-ZDUSSCGKSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2C)C1 ZINC000923591639 611270929 /nfs/dbraw/zinc/27/09/29/611270929.db2.gz AEWDILQSRMMMMC-ZDUSSCGKSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)n2cnnn2)C1 ZINC000923590451 611271138 /nfs/dbraw/zinc/27/11/38/611271138.db2.gz XCZPMKOTACOYPL-SJORKVTESA-N 1 1 338.415 0.671 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)n2cnnn2)C1 ZINC000923590451 611271140 /nfs/dbraw/zinc/27/11/40/611271140.db2.gz XCZPMKOTACOYPL-SJORKVTESA-N 1 1 338.415 0.671 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)c3ccc(C)cc3C2=O)C1 ZINC000923592341 611271580 /nfs/dbraw/zinc/27/15/80/611271580.db2.gz MTFZQLQKNPFMAY-CQSZACIVSA-N 1 1 339.395 0.805 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)c3ccc(C)cc3C2=O)C1 ZINC000923592341 611271581 /nfs/dbraw/zinc/27/15/81/611271581.db2.gz MTFZQLQKNPFMAY-CQSZACIVSA-N 1 1 339.395 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000923592570 611271609 /nfs/dbraw/zinc/27/16/09/611271609.db2.gz YMLREQOAXLOPFK-CQSZACIVSA-N 1 1 335.429 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000923592570 611271611 /nfs/dbraw/zinc/27/16/11/611271611.db2.gz YMLREQOAXLOPFK-CQSZACIVSA-N 1 1 335.429 0.422 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000946496299 611285012 /nfs/dbraw/zinc/28/50/12/611285012.db2.gz MGLYBCUJMGVMLC-SWLSCSKDSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2CC1 ZINC000946514354 611294782 /nfs/dbraw/zinc/29/47/82/611294782.db2.gz CYWLDUBXMUKJKX-HRCADAONSA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2CC1 ZINC000946514726 611294824 /nfs/dbraw/zinc/29/48/24/611294824.db2.gz MUXCEDSSDGTMTG-HRCADAONSA-N 1 1 332.448 0.939 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921911920 611326140 /nfs/dbraw/zinc/32/61/40/611326140.db2.gz UKKWWMZAXSPYGP-DZGCQCFKSA-N 1 1 344.481 0.556 20 30 ECEDMO C[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000921955053 611327853 /nfs/dbraw/zinc/32/78/53/611327853.db2.gz CHBNRNHAJYAEQW-XQQFMLRXSA-N 1 1 337.424 0.749 20 30 ECEDMO C#C[C@H](NC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O)[C@@H]1CCCO1 ZINC000922047144 611333159 /nfs/dbraw/zinc/33/31/59/611333159.db2.gz JXGNXFNPPPRGRW-BIHUAPLPSA-N 1 1 349.475 0.946 20 30 ECEDMO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)CC1CCC(C#N)CC1 ZINC000929207475 611737620 /nfs/dbraw/zinc/73/76/20/611737620.db2.gz LGCMCJSIUCJGQM-NRXISQOPSA-N 1 1 341.477 0.942 20 30 ECEDMO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)CC1CCC(C#N)CC1 ZINC000929207475 611737623 /nfs/dbraw/zinc/73/76/23/611737623.db2.gz LGCMCJSIUCJGQM-NRXISQOPSA-N 1 1 341.477 0.942 20 30 ECEDMO CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1 ZINC000933651600 611738709 /nfs/dbraw/zinc/73/87/09/611738709.db2.gz NHSOASBVBFSOCZ-HNNXBMFYSA-N 1 1 349.431 0.451 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H](C)C2)nc1 ZINC000947949679 611752902 /nfs/dbraw/zinc/75/29/02/611752902.db2.gz YYYWNVPYYLGPLH-BBRMVZONSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H](C)C2)nc1 ZINC000947949679 611752904 /nfs/dbraw/zinc/75/29/04/611752904.db2.gz YYYWNVPYYLGPLH-BBRMVZONSA-N 1 1 340.427 0.924 20 30 ECEDMO CC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCC(=O)NC ZINC000933860297 611754712 /nfs/dbraw/zinc/75/47/12/611754712.db2.gz RMVBCZWDEDJLCX-UHFFFAOYSA-N 1 1 327.384 0.744 20 30 ECEDMO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000948963023 611773818 /nfs/dbraw/zinc/77/38/18/611773818.db2.gz VHARGOMXWYOGLI-IXDOHACOSA-N 1 1 325.412 0.847 20 30 ECEDMO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000948963023 611773820 /nfs/dbraw/zinc/77/38/20/611773820.db2.gz VHARGOMXWYOGLI-IXDOHACOSA-N 1 1 325.412 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C)on2)C1 ZINC000950645419 611814682 /nfs/dbraw/zinc/81/46/82/611814682.db2.gz WLDJSHDGFYSTHE-WQVCFCJDSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C)on2)C1 ZINC000950645419 611814683 /nfs/dbraw/zinc/81/46/83/611814683.db2.gz WLDJSHDGFYSTHE-WQVCFCJDSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000950112679 611869865 /nfs/dbraw/zinc/86/98/65/611869865.db2.gz MPUWPZHLJNICPF-HIFRSBDPSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000950112679 611869867 /nfs/dbraw/zinc/86/98/67/611869867.db2.gz MPUWPZHLJNICPF-HIFRSBDPSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000950122470 611873111 /nfs/dbraw/zinc/87/31/11/611873111.db2.gz YTKCUGAEPMEKRN-GJZGRUSLSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000950122470 611873115 /nfs/dbraw/zinc/87/31/15/611873115.db2.gz YTKCUGAEPMEKRN-GJZGRUSLSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC1CCOCC1 ZINC000950755065 611890578 /nfs/dbraw/zinc/89/05/78/611890578.db2.gz CMQORQGITVFWBT-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC1CCOCC1 ZINC000950755065 611890580 /nfs/dbraw/zinc/89/05/80/611890580.db2.gz CMQORQGITVFWBT-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC000950755199 611890728 /nfs/dbraw/zinc/89/07/28/611890728.db2.gz GMIAMKFKNUTOFA-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]cc1C ZINC000950755958 611891878 /nfs/dbraw/zinc/89/18/78/611891878.db2.gz YPABOFIAUHGIRU-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]cc1C ZINC000950755958 611891879 /nfs/dbraw/zinc/89/18/79/611891879.db2.gz YPABOFIAUHGIRU-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000949283406 611927916 /nfs/dbraw/zinc/92/79/16/611927916.db2.gz MZRAWUDURYZPCR-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000949292929 611929611 /nfs/dbraw/zinc/92/96/11/611929611.db2.gz LEWXZAFJLMRXHS-CQSZACIVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)OC)CC2)C1 ZINC000949317387 611936605 /nfs/dbraw/zinc/93/66/05/611936605.db2.gz LAMPLKHCMYPAKL-LSDHHAIUSA-N 1 1 334.416 0.512 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949378896 611957287 /nfs/dbraw/zinc/95/72/87/611957287.db2.gz CPDOJXOTIRRJIP-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC000949395250 611963003 /nfs/dbraw/zinc/96/30/03/611963003.db2.gz QFHQMIHWCDINGD-UHFFFAOYSA-N 1 1 331.416 0.878 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC000949395250 611963005 /nfs/dbraw/zinc/96/30/05/611963005.db2.gz QFHQMIHWCDINGD-UHFFFAOYSA-N 1 1 331.416 0.878 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N[C@@H](C)C3)CC2)C1 ZINC000949401348 611965786 /nfs/dbraw/zinc/96/57/86/611965786.db2.gz ADIYHBABKJALID-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N[C@@H](C)C3)CC2)C1 ZINC000949401348 611965788 /nfs/dbraw/zinc/96/57/88/611965788.db2.gz ADIYHBABKJALID-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N[C@@H](C)C3)CC2)C1 ZINC000949401428 611966048 /nfs/dbraw/zinc/96/60/48/611966048.db2.gz BXHZWVAZKCZPSX-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N[C@@H](C)C3)CC2)C1 ZINC000949401428 611966050 /nfs/dbraw/zinc/96/60/50/611966050.db2.gz BXHZWVAZKCZPSX-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](OC)[C@H]3CCOC3)CC2)C1 ZINC000949427660 611976224 /nfs/dbraw/zinc/97/62/24/611976224.db2.gz TXRHDZGTIAZWRZ-HOTGVXAUSA-N 1 1 338.448 0.917 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](OC)[C@H]3CCOC3)CC2)C1 ZINC000949427660 611976226 /nfs/dbraw/zinc/97/62/26/611976226.db2.gz TXRHDZGTIAZWRZ-HOTGVXAUSA-N 1 1 338.448 0.917 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC000949433125 611978774 /nfs/dbraw/zinc/97/87/74/611978774.db2.gz CNNXWKDWCAVMNR-UHFFFAOYSA-N 1 1 346.431 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC000949510020 612014872 /nfs/dbraw/zinc/01/48/72/612014872.db2.gz LXNBEVYMTHEYNP-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC000949510020 612014873 /nfs/dbraw/zinc/01/48/73/612014873.db2.gz LXNBEVYMTHEYNP-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000949522998 612019741 /nfs/dbraw/zinc/01/97/41/612019741.db2.gz BIXITANXNOXQGA-UHFFFAOYSA-N 1 1 335.404 0.015 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000949522998 612019743 /nfs/dbraw/zinc/01/97/43/612019743.db2.gz BIXITANXNOXQGA-UHFFFAOYSA-N 1 1 335.404 0.015 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC000949526373 612020814 /nfs/dbraw/zinc/02/08/14/612020814.db2.gz QZRUWRLZICBISM-UHFFFAOYSA-N 1 1 335.448 0.878 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC000949526373 612020816 /nfs/dbraw/zinc/02/08/16/612020816.db2.gz QZRUWRLZICBISM-UHFFFAOYSA-N 1 1 335.448 0.878 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)n3C)CC2)C1 ZINC000949532094 612023438 /nfs/dbraw/zinc/02/34/38/612023438.db2.gz XTPZSKTZCDZLMM-UHFFFAOYSA-N 1 1 334.420 0.217 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)n3C)CC2)C1 ZINC000949532094 612023439 /nfs/dbraw/zinc/02/34/39/612023439.db2.gz XTPZSKTZCDZLMM-UHFFFAOYSA-N 1 1 334.420 0.217 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)cn3)CC2)C1 ZINC000949533834 612023824 /nfs/dbraw/zinc/02/38/24/612023824.db2.gz HFTLGQHGCZLCFV-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)cn3)CC2)C1 ZINC000949533834 612023826 /nfs/dbraw/zinc/02/38/26/612023826.db2.gz HFTLGQHGCZLCFV-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCN1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1=O ZINC000950502309 612042515 /nfs/dbraw/zinc/04/25/15/612042515.db2.gz PEUQAFTXEPNQGU-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000952718275 612081993 /nfs/dbraw/zinc/08/19/93/612081993.db2.gz UWJLNIBOWIOCOB-YESZJQIVSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cn(C)cn2)C1 ZINC000951223377 612087599 /nfs/dbraw/zinc/08/75/99/612087599.db2.gz GJKANINERYAAHA-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cn(C)cn2)C1 ZINC000951223377 612087600 /nfs/dbraw/zinc/08/76/00/612087600.db2.gz GJKANINERYAAHA-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)CSC)C2)C1 ZINC000953084833 612154496 /nfs/dbraw/zinc/15/44/96/612154496.db2.gz LDMGQEYQXNOFCX-MAUKXSAKSA-N 1 1 349.500 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)CSC)C2)C1 ZINC000953084833 612154497 /nfs/dbraw/zinc/15/44/97/612154497.db2.gz LDMGQEYQXNOFCX-MAUKXSAKSA-N 1 1 349.500 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2[nH]cnc2C)C1 ZINC000951322234 612157811 /nfs/dbraw/zinc/15/78/11/612157811.db2.gz AUFAGAYYZJAUBV-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2[nH]cnc2C)C1 ZINC000951322234 612157813 /nfs/dbraw/zinc/15/78/13/612157813.db2.gz AUFAGAYYZJAUBV-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC000953167255 612189841 /nfs/dbraw/zinc/18/98/41/612189841.db2.gz JLZBDMZLFRPIGG-VQIMIIECSA-N 1 1 329.444 0.803 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000952033522 612191747 /nfs/dbraw/zinc/19/17/47/612191747.db2.gz GFPXNCBCUOLHKO-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)C[C@@H]2CC[N@H+](C)C2)nc1 ZINC000951377943 612194308 /nfs/dbraw/zinc/19/43/08/612194308.db2.gz KNBODWDGVLVRKY-JKSUJKDBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000951382058 612196579 /nfs/dbraw/zinc/19/65/79/612196579.db2.gz SEFQWLITOACSEG-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccns2)C1 ZINC000954440894 612272625 /nfs/dbraw/zinc/27/26/25/612272625.db2.gz DTGMILPICMMIQK-ZDUSSCGKSA-N 1 1 332.429 0.524 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccns2)C1 ZINC000954440894 612272628 /nfs/dbraw/zinc/27/26/28/612272628.db2.gz DTGMILPICMMIQK-ZDUSSCGKSA-N 1 1 332.429 0.524 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000954513283 612352327 /nfs/dbraw/zinc/35/23/27/612352327.db2.gz RKPBRFLIPZVAFX-CJNGLKHVSA-N 1 1 348.447 0.459 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000955264346 612393993 /nfs/dbraw/zinc/39/39/93/612393993.db2.gz ZVLPYKSPVRWGMO-AWEZNQCLSA-N 1 1 326.400 0.297 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000953902107 612412859 /nfs/dbraw/zinc/41/28/59/612412859.db2.gz APYBWLXIHGVLSP-SFHVURJKSA-N 1 1 339.439 0.974 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000955337329 612455911 /nfs/dbraw/zinc/45/59/11/612455911.db2.gz JHYCACFJIYMFHS-GFCCVEGCSA-N 1 1 329.404 0.653 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000955340841 612463474 /nfs/dbraw/zinc/46/34/74/612463474.db2.gz OSABNEAYNOTDDA-UHFFFAOYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CC(F)(F)C2)C1 ZINC000954630329 612466947 /nfs/dbraw/zinc/46/69/47/612466947.db2.gz BVMKQVUEVXYEFL-AWEZNQCLSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CC(F)(F)C2)C1 ZINC000954630329 612466951 /nfs/dbraw/zinc/46/69/51/612466951.db2.gz BVMKQVUEVXYEFL-AWEZNQCLSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2oncc2C)C1 ZINC000954630338 612467419 /nfs/dbraw/zinc/46/74/19/612467419.db2.gz CGSWHRZZKSRRFD-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2oncc2C)C1 ZINC000954630338 612467423 /nfs/dbraw/zinc/46/74/23/612467423.db2.gz CGSWHRZZKSRRFD-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000954630654 612468606 /nfs/dbraw/zinc/46/86/06/612468606.db2.gz GHUHGNPIYCLTBV-SIXWZSSISA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000954630654 612468608 /nfs/dbraw/zinc/46/86/08/612468608.db2.gz GHUHGNPIYCLTBV-SIXWZSSISA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2cc(C)on2)C1 ZINC000954631267 612469624 /nfs/dbraw/zinc/46/96/24/612469624.db2.gz UHHBFIUBGRRROL-INIZCTEOSA-N 1 1 344.415 0.292 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2cc(C)on2)C1 ZINC000954631267 612469627 /nfs/dbraw/zinc/46/96/27/612469627.db2.gz UHHBFIUBGRRROL-INIZCTEOSA-N 1 1 344.415 0.292 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000956775436 612513428 /nfs/dbraw/zinc/51/34/28/612513428.db2.gz JOWDBEVSCNVZDC-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956802256 612565724 /nfs/dbraw/zinc/56/57/24/612565724.db2.gz JEIBCZAAFHLLCX-DYVFJYSZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc[nH]c(=O)c2)C1 ZINC000954027679 612565915 /nfs/dbraw/zinc/56/59/15/612565915.db2.gz WPYIJEMCULSWPV-HNNXBMFYSA-N 1 1 342.399 0.168 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc[nH]c(=O)c2)C1 ZINC000954027679 612565918 /nfs/dbraw/zinc/56/59/18/612565918.db2.gz WPYIJEMCULSWPV-HNNXBMFYSA-N 1 1 342.399 0.168 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCc2cnc[nH]2)C1 ZINC000954110022 612674094 /nfs/dbraw/zinc/67/40/94/612674094.db2.gz OEIRAGRXUHOXRY-UHFFFAOYSA-N 1 1 326.360 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1nocc1C ZINC000956072774 612676733 /nfs/dbraw/zinc/67/67/33/612676733.db2.gz KLJXXBFAVRYREI-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1nocc1C ZINC000956072774 612676735 /nfs/dbraw/zinc/67/67/35/612676735.db2.gz KLJXXBFAVRYREI-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(F)cn2)C1 ZINC000954118542 612680917 /nfs/dbraw/zinc/68/09/17/612680917.db2.gz ORUWSEJEPBRULA-INIZCTEOSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(F)cn2)C1 ZINC000954118542 612680919 /nfs/dbraw/zinc/68/09/19/612680919.db2.gz ORUWSEJEPBRULA-INIZCTEOSA-N 1 1 344.390 0.601 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000956374658 612861251 /nfs/dbraw/zinc/86/12/51/612861251.db2.gz IBJJANBRDQDHNA-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cnn(C)c2)C1 ZINC000956689484 612933219 /nfs/dbraw/zinc/93/32/19/612933219.db2.gz OTKFIPUCQZFIGM-YJBOKZPZSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cnn(C)c2)C1 ZINC000956689484 612933220 /nfs/dbraw/zinc/93/32/20/612933220.db2.gz OTKFIPUCQZFIGM-YJBOKZPZSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ncc[nH]1 ZINC001078037464 782192944 /nfs/dbraw/zinc/19/29/44/782192944.db2.gz WBDIWQXBCPUPKM-KBPBESRZSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ncc[nH]1 ZINC001078037464 782192952 /nfs/dbraw/zinc/19/29/52/782192952.db2.gz WBDIWQXBCPUPKM-KBPBESRZSA-N 1 1 331.420 0.061 20 30 ECEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(C#N)nc(C)n1)CC2 ZINC001164690275 719754439 /nfs/dbraw/zinc/75/44/39/719754439.db2.gz YBAKIUILWNYLEY-UHFFFAOYSA-N 1 1 328.420 0.838 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)NC)C3)C2)nc1 ZINC001041791405 782216534 /nfs/dbraw/zinc/21/65/34/782216534.db2.gz KXSIKOQDZVNFLA-GOSISDBHSA-N 1 1 326.400 0.347 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCCCC[N@H+]1CC(N)=O ZINC000969121812 731493596 /nfs/dbraw/zinc/49/35/96/731493596.db2.gz NVVOGTUIRHFMSU-CQSZACIVSA-N 1 1 344.415 0.553 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCCCC[N@@H+]1CC(N)=O ZINC000969121812 731493597 /nfs/dbraw/zinc/49/35/97/731493597.db2.gz NVVOGTUIRHFMSU-CQSZACIVSA-N 1 1 344.415 0.553 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H](n2ccnn2)C1 ZINC001069974169 790266002 /nfs/dbraw/zinc/26/60/02/790266002.db2.gz RWZVNFCGQLUYQE-KGLIPLIRSA-N 1 1 328.376 0.523 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H](n2ccnn2)C1 ZINC001069974169 790266005 /nfs/dbraw/zinc/26/60/05/790266005.db2.gz RWZVNFCGQLUYQE-KGLIPLIRSA-N 1 1 328.376 0.523 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001078054937 782218820 /nfs/dbraw/zinc/21/88/20/782218820.db2.gz VXUACEFFRUFMQA-ZIAGYGMSSA-N 1 1 328.372 0.686 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069974788 790267347 /nfs/dbraw/zinc/26/73/47/790267347.db2.gz RGGGKQSRPXHNSW-OLZOCXBDSA-N 1 1 347.810 0.344 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069974788 790267351 /nfs/dbraw/zinc/26/73/51/790267351.db2.gz RGGGKQSRPXHNSW-OLZOCXBDSA-N 1 1 347.810 0.344 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000969150409 731526534 /nfs/dbraw/zinc/52/65/34/731526534.db2.gz HPBMJIMMFDWNAI-UONOGXRCSA-N 1 1 327.450 0.062 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ccc(C#N)nc2)C1 ZINC001125280627 731583172 /nfs/dbraw/zinc/58/31/72/731583172.db2.gz UVBLYZNVWBPVEE-WMLDXEAASA-N 1 1 345.447 0.551 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC000969251758 731645282 /nfs/dbraw/zinc/64/52/82/731645282.db2.gz KALGYXKUAPJVNE-FZMZJTMJSA-N 1 1 345.403 0.019 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973008844 738539388 /nfs/dbraw/zinc/53/93/88/738539388.db2.gz HHKHNULCCWOOFC-ABAIWWIYSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973008844 738539389 /nfs/dbraw/zinc/53/93/89/738539389.db2.gz HHKHNULCCWOOFC-ABAIWWIYSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969409442 731816446 /nfs/dbraw/zinc/81/64/46/731816446.db2.gz HNOVXIKIKYMKOP-WMLDXEAASA-N 1 1 325.412 0.753 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969409705 731817717 /nfs/dbraw/zinc/81/77/17/731817717.db2.gz LMGNCMVCEQURLZ-CXAGYDPISA-N 1 1 343.402 0.892 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CN(C)CCO1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969440415 731880449 /nfs/dbraw/zinc/88/04/49/731880449.db2.gz GKUIKZUXHIOQIT-LRDDRELGSA-N 1 1 348.472 0.887 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccnn3CC)C2)C1=O ZINC000969553022 731969363 /nfs/dbraw/zinc/96/93/63/731969363.db2.gz YTMHMDQTKJJAFC-XJKSGUPXSA-N 1 1 345.447 0.740 20 30 ECEDMO CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)NC1=O ZINC000969586344 731986526 /nfs/dbraw/zinc/98/65/26/731986526.db2.gz JJDNEAOUFMHBLO-CABCVRRESA-N 1 1 345.378 0.411 20 30 ECEDMO C[C@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969592755 731991519 /nfs/dbraw/zinc/99/15/19/731991519.db2.gz AMRRZIWRGMYSSV-TVQRCGJNSA-N 1 1 334.401 0.665 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC000973037133 738570413 /nfs/dbraw/zinc/57/04/13/738570413.db2.gz HEGDHKULICLPAN-YWPYICTPSA-N 1 1 345.403 0.569 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046146 738577967 /nfs/dbraw/zinc/57/79/67/738577967.db2.gz APOKUXPTFOCWQG-IAQYHMDHSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046146 738577969 /nfs/dbraw/zinc/57/79/69/738577969.db2.gz APOKUXPTFOCWQG-IAQYHMDHSA-N 1 1 343.431 0.994 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973046782 738581476 /nfs/dbraw/zinc/58/14/76/738581476.db2.gz GITHZGQELJXJLO-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973046782 738581477 /nfs/dbraw/zinc/58/14/77/738581477.db2.gz GITHZGQELJXJLO-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1(C)C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973047136 738583415 /nfs/dbraw/zinc/58/34/15/738583415.db2.gz ILBNUUZGACRMNP-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973047244 738583468 /nfs/dbraw/zinc/58/34/68/738583468.db2.gz IVBZWWVDUJDXDD-UONOGXRCSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973047244 738583469 /nfs/dbraw/zinc/58/34/69/738583469.db2.gz IVBZWWVDUJDXDD-UONOGXRCSA-N 1 1 329.404 0.605 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1)C1CC1 ZINC000973047840 738584041 /nfs/dbraw/zinc/58/40/41/738584041.db2.gz ODVAOALITUTFOY-HNNXBMFYSA-N 1 1 343.431 0.947 20 30 ECEDMO CN(C(=O)C[N@H+]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1)C1CC1 ZINC000973047840 738584042 /nfs/dbraw/zinc/58/40/42/738584042.db2.gz ODVAOALITUTFOY-HNNXBMFYSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2scnc2C)C1 ZINC000973061651 738603069 /nfs/dbraw/zinc/60/30/69/738603069.db2.gz USQTWBFWXAINQT-IHRRRGAJSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2scnc2C)C1 ZINC000973061651 738603071 /nfs/dbraw/zinc/60/30/71/738603071.db2.gz USQTWBFWXAINQT-IHRRRGAJSA-N 1 1 346.456 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[NH2+]Cc1nnnn1CCC ZINC001149131062 732441649 /nfs/dbraw/zinc/44/16/49/732441649.db2.gz TZZQYJAUIBDXJT-UHFFFAOYSA-N 1 1 326.404 0.513 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ncc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069983661 790277398 /nfs/dbraw/zinc/27/73/98/790277398.db2.gz HTOQSFAFASTWRN-CVEARBPZSA-N 1 1 338.415 0.969 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ncc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069983661 790277401 /nfs/dbraw/zinc/27/74/01/790277401.db2.gz HTOQSFAFASTWRN-CVEARBPZSA-N 1 1 338.415 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nnc(C)o2)C1 ZINC000969867710 732462546 /nfs/dbraw/zinc/46/25/46/732462546.db2.gz FFRCLXVDBFBKMN-DOMZBBRYSA-N 1 1 331.420 0.412 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nnc(C)o2)C1 ZINC000969867710 732462549 /nfs/dbraw/zinc/46/25/49/732462549.db2.gz FFRCLXVDBFBKMN-DOMZBBRYSA-N 1 1 331.420 0.412 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)c1 ZINC000969887716 732483716 /nfs/dbraw/zinc/48/37/16/732483716.db2.gz DYASIQPDEHESTH-OAHLLOKOSA-N 1 1 342.378 0.628 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3c(C)ncn3C)C2)C1=O ZINC000969895629 732490128 /nfs/dbraw/zinc/49/01/28/732490128.db2.gz BYLCOYJCHBMCAM-SWLSCSKDSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001041816963 782262511 /nfs/dbraw/zinc/26/25/11/782262511.db2.gz UDORUGZAMXZWQD-KRWDZBQOSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccsn3)C2)C1=O ZINC000969934914 732533149 /nfs/dbraw/zinc/53/31/49/732533149.db2.gz ANNWXLULZLAFHM-BXUZGUMPSA-N 1 1 334.445 0.980 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)C(=O)N2CCC[C@@H]2CC)CC1 ZINC001098526656 732551106 /nfs/dbraw/zinc/55/11/06/732551106.db2.gz NIVXOKGRVDOCDY-HNNXBMFYSA-N 1 1 337.464 0.859 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCO[C@@H]3CN(CC#N)C[C@@H]31)C2 ZINC001083194077 732657525 /nfs/dbraw/zinc/65/75/25/732657525.db2.gz VLCWLDYLVXTIOD-CWRNSKLLSA-N 1 1 329.404 0.189 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001078082150 782273604 /nfs/dbraw/zinc/27/36/04/782273604.db2.gz DMCYLIPXWCQUHA-GUDVDZBRSA-N 1 1 342.439 0.941 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836129 782311656 /nfs/dbraw/zinc/31/16/56/782311656.db2.gz PHDVILQOIKSMTN-ZFWWWQNUSA-N 1 1 327.450 0.179 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC([N@H+](CC#C)CCO)CC1 ZINC001098536380 733181609 /nfs/dbraw/zinc/18/16/09/733181609.db2.gz HYWZXKOUWIVLIU-UHFFFAOYSA-N 1 1 341.411 0.626 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970278259 733296210 /nfs/dbraw/zinc/29/62/10/733296210.db2.gz UUELNIOUEZTRGU-WMLDXEAASA-N 1 1 340.427 0.498 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)Cn2cc3ccccc3n2)CC1 ZINC001098536609 733358470 /nfs/dbraw/zinc/35/84/70/733358470.db2.gz OSCPWYWMHSTUIR-UHFFFAOYSA-N 1 1 340.427 0.955 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2O)CC1 ZINC000970333603 733375671 /nfs/dbraw/zinc/37/56/71/733375671.db2.gz JSWKQCPRLZVIGA-OIISXLGYSA-N 1 1 349.475 0.763 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2O)C1 ZINC000970378987 733443411 /nfs/dbraw/zinc/44/34/11/733443411.db2.gz XONKFOOVRLZIHX-ILXRZTDVSA-N 1 1 335.448 0.515 20 30 ECEDMO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001104273134 733560843 /nfs/dbraw/zinc/56/08/43/733560843.db2.gz NFZKMEIYKILMAZ-HUUCEWRRSA-N 1 1 347.463 0.719 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000970512261 733632000 /nfs/dbraw/zinc/63/20/00/733632000.db2.gz ZPPUVMPYEAPFKJ-GFCCVEGCSA-N 1 1 327.344 0.481 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nn(CC)nc3C)C2)cn1 ZINC000970519020 733638767 /nfs/dbraw/zinc/63/87/67/733638767.db2.gz FFNQNUFONZMSKZ-MRXNPFEDSA-N 1 1 338.415 0.987 20 30 ECEDMO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC001167318085 733686413 /nfs/dbraw/zinc/68/64/13/733686413.db2.gz CZSSTZOJQDHPOW-TZMCWYRMSA-N 1 1 342.399 0.902 20 30 ECEDMO C#CCCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000289180610 733700563 /nfs/dbraw/zinc/70/05/63/733700563.db2.gz NGUXEIGJBSBADB-IAGOWNOFSA-N 1 1 336.457 0.812 20 30 ECEDMO C#CCCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000289180610 733700567 /nfs/dbraw/zinc/70/05/67/733700567.db2.gz NGUXEIGJBSBADB-IAGOWNOFSA-N 1 1 336.457 0.812 20 30 ECEDMO C#CCCS(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000289180628 733700736 /nfs/dbraw/zinc/70/07/36/733700736.db2.gz NGUXEIGJBSBADB-SJORKVTESA-N 1 1 336.457 0.812 20 30 ECEDMO C#CCCS(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000289180628 733700739 /nfs/dbraw/zinc/70/07/39/733700739.db2.gz NGUXEIGJBSBADB-SJORKVTESA-N 1 1 336.457 0.812 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)C2(C(=O)NC)CCC2)CC1 ZINC001098540692 733857043 /nfs/dbraw/zinc/85/70/43/733857043.db2.gz VDTLYMWYSABKOX-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970760093 733917359 /nfs/dbraw/zinc/91/73/59/733917359.db2.gz LMGNCMVCEQURLZ-GUYCJALGSA-N 1 1 343.402 0.892 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCC3)C2)cn1 ZINC000970765333 733923074 /nfs/dbraw/zinc/92/30/74/733923074.db2.gz CDADBHAGMJCCMI-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC000970767037 733925077 /nfs/dbraw/zinc/92/50/77/733925077.db2.gz OUYQXPGAMQHYOL-LRDDRELGSA-N 1 1 326.400 0.344 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCCNC3=O)C2)cn1 ZINC000970767900 733925288 /nfs/dbraw/zinc/92/52/88/733925288.db2.gz XUATUDZSIMUZQT-MLGOLLRUSA-N 1 1 326.400 0.392 20 30 ECEDMO N#CCC(=O)Nc1nc2ccccc2nc1-n1cnc(C[NH3+])cc1=N ZINC001167355234 733990854 /nfs/dbraw/zinc/99/08/54/733990854.db2.gz XFLGDWRFLULECX-UHFFFAOYSA-N 1 1 334.343 0.606 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC000970836982 734001327 /nfs/dbraw/zinc/00/13/27/734001327.db2.gz CRPJREBITOUSOG-DOMZBBRYSA-N 1 1 344.415 0.624 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971043305 734203937 /nfs/dbraw/zinc/20/39/37/734203937.db2.gz BDXBUZAVGVIWIG-AWEZNQCLSA-N 1 1 343.366 0.417 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971043305 734203939 /nfs/dbraw/zinc/20/39/39/734203939.db2.gz BDXBUZAVGVIWIG-AWEZNQCLSA-N 1 1 343.366 0.417 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001211354834 734275342 /nfs/dbraw/zinc/27/53/42/734275342.db2.gz IHZODYCWESBYCR-ZDUSSCGKSA-N 1 1 334.424 0.681 20 30 ECEDMO Cc1cc(N2CCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2)c(C#N)cn1 ZINC001104318158 734277248 /nfs/dbraw/zinc/27/72/48/734277248.db2.gz CJXINEXDAKPYDJ-INIZCTEOSA-N 1 1 345.447 0.923 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ccc(C#N)c(C)n2)CCO1 ZINC001104323455 734303991 /nfs/dbraw/zinc/30/39/91/734303991.db2.gz QUTJJBOVTKOPIC-MRXNPFEDSA-N 1 1 345.447 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3ccnn3C)C2)C1=O ZINC000971182054 734342187 /nfs/dbraw/zinc/34/21/87/734342187.db2.gz ULSCMZSWBCLISR-ZIAGYGMSSA-N 1 1 331.420 0.353 20 30 ECEDMO C#CCN1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083214447 734391207 /nfs/dbraw/zinc/39/12/07/734391207.db2.gz YUOPWCFKOCXQQP-JKSUJKDBSA-N 1 1 330.432 0.941 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CCSC)C1 ZINC001149167488 734393950 /nfs/dbraw/zinc/39/39/50/734393950.db2.gz GZBTXHPVRNLFDC-KGLIPLIRSA-N 1 1 343.493 0.637 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CCSC)C1 ZINC001149167488 734393952 /nfs/dbraw/zinc/39/39/52/734393952.db2.gz GZBTXHPVRNLFDC-KGLIPLIRSA-N 1 1 343.493 0.637 20 30 ECEDMO C[N@@H+](C[C@H]1CCc2ncnn21)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971287903 734421516 /nfs/dbraw/zinc/42/15/16/734421516.db2.gz HDFWALWKSSQDIC-UONOGXRCSA-N 1 1 339.403 0.812 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971289056 734421955 /nfs/dbraw/zinc/42/19/55/734421955.db2.gz ODXCRDQLUGPERI-ZDUSSCGKSA-N 1 1 330.392 0.058 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H](C)C3)[C@H]2C1 ZINC001083216164 734459562 /nfs/dbraw/zinc/45/95/62/734459562.db2.gz LHDFQKDTFGKVCP-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971377250 734488603 /nfs/dbraw/zinc/48/86/03/734488603.db2.gz VUNIWDIMDAILRI-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078174587 782429310 /nfs/dbraw/zinc/42/93/10/782429310.db2.gz PVMUDOWHDOZTJK-KCPJHIHWSA-N 1 1 334.445 0.233 20 30 ECEDMO C#CCNC(=O)CC(=O)N(CCN(C)c1cc(C)[nH+]c(C)n1)C(C)C ZINC001125515278 734646560 /nfs/dbraw/zinc/64/65/60/734646560.db2.gz YNPWXRYSVJSURW-UHFFFAOYSA-N 1 1 345.447 0.906 20 30 ECEDMO C[N@@H+](CC[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971507528 734697956 /nfs/dbraw/zinc/69/79/56/734697956.db2.gz JFQUIFBKUARQMA-JKSUJKDBSA-N 1 1 338.473 0.757 20 30 ECEDMO C[N@H+](C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511414 734698119 /nfs/dbraw/zinc/69/81/19/734698119.db2.gz LNJTWHOUNJROIU-CVEARBPZSA-N 1 1 338.473 0.757 20 30 ECEDMO C[N@@H+](C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511414 734698123 /nfs/dbraw/zinc/69/81/23/734698123.db2.gz LNJTWHOUNJROIU-CVEARBPZSA-N 1 1 338.473 0.757 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971544923 734737854 /nfs/dbraw/zinc/73/78/54/734737854.db2.gz GJOKTTOIAUXXCD-HNNXBMFYSA-N 1 1 325.376 0.278 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971544923 734737857 /nfs/dbraw/zinc/73/78/57/734737857.db2.gz GJOKTTOIAUXXCD-HNNXBMFYSA-N 1 1 325.376 0.278 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545724 734740062 /nfs/dbraw/zinc/74/00/62/734740062.db2.gz YPVFXFJLHXFAOW-CQSZACIVSA-N 1 1 343.366 0.417 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cnnc4)cc3)[C@H]2C1 ZINC001083223724 734941466 /nfs/dbraw/zinc/94/14/66/734941466.db2.gz MIDSPAQTNLVNAD-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cnnc4)cc3)[C@H]2C1 ZINC001083223724 734941467 /nfs/dbraw/zinc/94/14/67/734941467.db2.gz MIDSPAQTNLVNAD-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC000971688270 734949183 /nfs/dbraw/zinc/94/91/83/734949183.db2.gz VKNINEAARIZIEP-SJORKVTESA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC000971688270 734949187 /nfs/dbraw/zinc/94/91/87/734949187.db2.gz VKNINEAARIZIEP-SJORKVTESA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@H](N(C)[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC000971688270 734949198 /nfs/dbraw/zinc/94/91/98/734949198.db2.gz VKNINEAARIZIEP-SJORKVTESA-N 1 1 348.491 0.790 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cc(C)n(C)n2)C1 ZINC000971703280 734964598 /nfs/dbraw/zinc/96/45/98/734964598.db2.gz CDOXYBGXLDUSLZ-ROUUACIJSA-N 1 1 343.475 0.859 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cc(C)n(C)n2)C1 ZINC000971703280 734964601 /nfs/dbraw/zinc/96/46/01/734964601.db2.gz CDOXYBGXLDUSLZ-ROUUACIJSA-N 1 1 343.475 0.859 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCN2CCCC2=O)C1 ZINC000971704034 734965544 /nfs/dbraw/zinc/96/55/44/734965544.db2.gz PXZYHVBYGLUKOF-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000973180401 738871630 /nfs/dbraw/zinc/87/16/30/738871630.db2.gz BOGWRCLFJGFRMK-MRVWCRGKSA-N 1 1 329.404 0.605 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC001098556083 735070514 /nfs/dbraw/zinc/07/05/14/735070514.db2.gz FLCSRJVJKRFPLK-UHFFFAOYSA-N 1 1 349.475 0.698 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000972043862 735551996 /nfs/dbraw/zinc/55/19/96/735551996.db2.gz CUGSODGHXAEENG-AWEZNQCLSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]nc3C)C2)C1=O ZINC000972053856 735583846 /nfs/dbraw/zinc/58/38/46/735583846.db2.gz WKLWVACWSFXIST-HIFRSBDPSA-N 1 1 331.420 0.651 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972207431 735785362 /nfs/dbraw/zinc/78/53/62/735785362.db2.gz NNQYAAHDFFKXER-DZGCQCFKSA-N 1 1 345.378 0.411 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@@H]2CCOC2)CCO3)c1 ZINC000972318793 735938323 /nfs/dbraw/zinc/93/83/23/735938323.db2.gz GUTDJJLPHYZCII-KBXCAEBGSA-N 1 1 344.415 0.840 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccn4c(=O)[nH]nc34)[C@H]2C1 ZINC001083246612 735965082 /nfs/dbraw/zinc/96/50/82/735965082.db2.gz AYOUTLVXZFKDHZ-QWHCGFSZSA-N 1 1 329.360 0.146 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccn4c(=O)[nH]nc34)[C@H]2C1 ZINC001083246612 735965085 /nfs/dbraw/zinc/96/50/85/735965085.db2.gz AYOUTLVXZFKDHZ-QWHCGFSZSA-N 1 1 329.360 0.146 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3ccc(C)n3)C2)C1=O ZINC000972361289 736015500 /nfs/dbraw/zinc/01/55/00/736015500.db2.gz DQFNUTGVNGEFLY-CVEARBPZSA-N 1 1 345.447 0.511 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)[C@H]2C1 ZINC001083251572 736106014 /nfs/dbraw/zinc/10/60/14/736106014.db2.gz XKCYOODYVAOMCB-LSDHHAIUSA-N 1 1 341.367 0.281 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)[C@H]2C1 ZINC001083251572 736106016 /nfs/dbraw/zinc/10/60/16/736106016.db2.gz XKCYOODYVAOMCB-LSDHHAIUSA-N 1 1 341.367 0.281 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnn(C)c3C)C2)C1 ZINC000972408957 736140499 /nfs/dbraw/zinc/14/04/99/736140499.db2.gz QIPAXYBTQVBZLG-SFHVURJKSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnn(C)c3C)C2)C1 ZINC000972408957 736140504 /nfs/dbraw/zinc/14/05/04/736140504.db2.gz QIPAXYBTQVBZLG-SFHVURJKSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972408636 736145368 /nfs/dbraw/zinc/14/53/68/736145368.db2.gz LVCJSLHERWLHDS-SFHVURJKSA-N 1 1 343.431 0.482 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972408636 736145373 /nfs/dbraw/zinc/14/53/73/736145373.db2.gz LVCJSLHERWLHDS-SFHVURJKSA-N 1 1 343.431 0.482 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972425624 736174957 /nfs/dbraw/zinc/17/49/57/736174957.db2.gz PPWORQMNRPBBKK-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972425624 736174959 /nfs/dbraw/zinc/17/49/59/736174959.db2.gz PPWORQMNRPBBKK-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428923 736178557 /nfs/dbraw/zinc/17/85/57/736178557.db2.gz RDHCUVWNKQCXSZ-GOSISDBHSA-N 1 1 346.431 0.880 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428923 736178558 /nfs/dbraw/zinc/17/85/58/736178558.db2.gz RDHCUVWNKQCXSZ-GOSISDBHSA-N 1 1 346.431 0.880 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972432083 736182402 /nfs/dbraw/zinc/18/24/02/736182402.db2.gz XZEGKTGLWORXFX-QZTJIDSGSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972432083 736182403 /nfs/dbraw/zinc/18/24/03/736182403.db2.gz XZEGKTGLWORXFX-QZTJIDSGSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972432152 736182444 /nfs/dbraw/zinc/18/24/44/736182444.db2.gz YUOXOZVXGHHOPD-JFIYKMOQSA-N 1 1 337.464 0.585 20 30 ECEDMO C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972432152 736182446 /nfs/dbraw/zinc/18/24/46/736182446.db2.gz YUOXOZVXGHHOPD-JFIYKMOQSA-N 1 1 337.464 0.585 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972440611 736202564 /nfs/dbraw/zinc/20/25/64/736202564.db2.gz HIOBZIZVOAZCKT-SJLPKXTDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972440611 736202565 /nfs/dbraw/zinc/20/25/65/736202565.db2.gz HIOBZIZVOAZCKT-SJLPKXTDSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001078222842 782516142 /nfs/dbraw/zinc/51/61/42/782516142.db2.gz SEOBHJOLVDNPFI-BZUAXINKSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncc(OC)cn3)C2)C1 ZINC000972461791 736259234 /nfs/dbraw/zinc/25/92/34/736259234.db2.gz XPGPLURNPHXGDX-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 ZINC000972461765 736259432 /nfs/dbraw/zinc/25/94/32/736259432.db2.gz WWSRPCJWOKLFCO-SFHVURJKSA-N 1 1 344.415 0.606 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 ZINC000972461765 736259435 /nfs/dbraw/zinc/25/94/35/736259435.db2.gz WWSRPCJWOKLFCO-SFHVURJKSA-N 1 1 344.415 0.606 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 ZINC000972479290 736301275 /nfs/dbraw/zinc/30/12/75/736301275.db2.gz SXIJPYZDUSDISH-QGZVFWFLSA-N 1 1 333.436 0.720 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001022989226 736366687 /nfs/dbraw/zinc/36/66/87/736366687.db2.gz AEJDPJVEKPHZMG-OKILXGFUSA-N 1 1 337.383 0.934 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCCO)CCO3)cc1 ZINC000972491803 736374824 /nfs/dbraw/zinc/37/48/24/736374824.db2.gz BJPGIGINLCEVTG-IBGZPJMESA-N 1 1 328.412 0.967 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCCO)CCO3)cc1 ZINC000972491803 736374828 /nfs/dbraw/zinc/37/48/28/736374828.db2.gz BJPGIGINLCEVTG-IBGZPJMESA-N 1 1 328.412 0.967 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 ZINC000972493129 736386137 /nfs/dbraw/zinc/38/61/37/736386137.db2.gz VWQPQCMFBYKQID-CRAIPNDOSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 ZINC000972493129 736386139 /nfs/dbraw/zinc/38/61/39/736386139.db2.gz VWQPQCMFBYKQID-CRAIPNDOSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2ccn[nH]2)C1 ZINC001059846750 751371810 /nfs/dbraw/zinc/37/18/10/751371810.db2.gz DBSAZTRANRPGDG-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2ccn[nH]2)C1 ZINC001059846750 751371814 /nfs/dbraw/zinc/37/18/14/751371814.db2.gz DBSAZTRANRPGDG-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523283 736563257 /nfs/dbraw/zinc/56/32/57/736563257.db2.gz HOJCLBBHXGEING-GOSISDBHSA-N 1 1 345.399 0.248 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523283 736563261 /nfs/dbraw/zinc/56/32/61/736563261.db2.gz HOJCLBBHXGEING-GOSISDBHSA-N 1 1 345.399 0.248 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972522703 736563656 /nfs/dbraw/zinc/56/36/56/736563656.db2.gz BAJWKBFSYICNES-QGZVFWFLSA-N 1 1 334.420 0.678 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cocn3)C2)C1=O ZINC001023275082 736640126 /nfs/dbraw/zinc/64/01/26/736640126.db2.gz GBNHIEWRNIPWNZ-UKRRQHHQSA-N 1 1 332.404 0.903 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023309167 736667165 /nfs/dbraw/zinc/66/71/65/736667165.db2.gz ZNJUIHOEGZEDPG-CHWSQXEVSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972547121 736667479 /nfs/dbraw/zinc/66/74/79/736667479.db2.gz VVTXAUPZFCCBGN-CRAIPNDOSA-N 1 1 333.432 0.372 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972547121 736667481 /nfs/dbraw/zinc/66/74/81/736667481.db2.gz VVTXAUPZFCCBGN-CRAIPNDOSA-N 1 1 333.432 0.372 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023314216 736671812 /nfs/dbraw/zinc/67/18/12/736671812.db2.gz IQDXGAGMCVTYCI-LBPRGKRZSA-N 1 1 338.433 0.373 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023314216 736671813 /nfs/dbraw/zinc/67/18/13/736671813.db2.gz IQDXGAGMCVTYCI-LBPRGKRZSA-N 1 1 338.433 0.373 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001023319071 736679243 /nfs/dbraw/zinc/67/92/43/736679243.db2.gz SWTMMUPENKIOIB-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001023319999 736680181 /nfs/dbraw/zinc/68/01/81/736680181.db2.gz MWSCUFWQDSEQMS-SMDDNHRTSA-N 1 1 343.387 0.133 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001023404303 736787899 /nfs/dbraw/zinc/78/78/99/736787899.db2.gz RTMXUCYLNACREN-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC000972561715 736790701 /nfs/dbraw/zinc/79/07/01/736790701.db2.gz VWSWDIOMFVGOLX-GPMSIDNRSA-N 1 1 342.443 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC000972561715 736790705 /nfs/dbraw/zinc/79/07/05/736790705.db2.gz VWSWDIOMFVGOLX-GPMSIDNRSA-N 1 1 342.443 0.850 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nnc(C)o2)C1 ZINC001023423627 736805854 /nfs/dbraw/zinc/80/58/54/736805854.db2.gz BENLQVYEADLGRM-HOTGVXAUSA-N 1 1 345.447 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nnc(C)o2)C1 ZINC001023423627 736805859 /nfs/dbraw/zinc/80/58/59/736805859.db2.gz BENLQVYEADLGRM-HOTGVXAUSA-N 1 1 345.447 0.804 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(CNCC#N)C2)C1 ZINC001112516663 736827108 /nfs/dbraw/zinc/82/71/08/736827108.db2.gz VUDRRKCLMXBLGI-BQFCYCMXSA-N 1 1 334.464 0.837 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(CNCC#N)C2)C1 ZINC001112516663 736827111 /nfs/dbraw/zinc/82/71/11/736827111.db2.gz VUDRRKCLMXBLGI-BQFCYCMXSA-N 1 1 334.464 0.837 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023449379 736847627 /nfs/dbraw/zinc/84/76/27/736847627.db2.gz OMGRCLGGKQHXGO-KBPBESRZSA-N 1 1 333.436 0.950 20 30 ECEDMO C=CCCOCC(=O)N1CCC([N@H+](CCO)C[C@@H](C)OC)CC1 ZINC001098577074 736853871 /nfs/dbraw/zinc/85/38/71/736853871.db2.gz DHLHAGOXSFASAR-OAHLLOKOSA-N 1 1 328.453 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cn[nH]n3)C2)C1=O ZINC001023461513 736868024 /nfs/dbraw/zinc/86/80/24/736868024.db2.gz WMBQUQZUXGBBCX-TZMCWYRMSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](CNC(=O)c3cnn[nH]3)C2)C1=O ZINC001023461513 736868028 /nfs/dbraw/zinc/86/80/28/736868028.db2.gz WMBQUQZUXGBBCX-TZMCWYRMSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cnn[nH]3)C2)C1=O ZINC001023461513 736868033 /nfs/dbraw/zinc/86/80/33/736868033.db2.gz WMBQUQZUXGBBCX-TZMCWYRMSA-N 1 1 332.408 0.033 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001023526781 736958612 /nfs/dbraw/zinc/95/86/12/736958612.db2.gz LSRCKVQANNVGBG-DOTOQJQBSA-N 1 1 325.412 0.998 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972593921 737022984 /nfs/dbraw/zinc/02/29/84/737022984.db2.gz OURUIYZQVFHILS-QGZVFWFLSA-N 1 1 346.435 0.123 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972593921 737022987 /nfs/dbraw/zinc/02/29/87/737022987.db2.gz OURUIYZQVFHILS-QGZVFWFLSA-N 1 1 346.435 0.123 20 30 ECEDMO NC(=O)C(=O)N1CC2(C1)CCC[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC000981972286 751386429 /nfs/dbraw/zinc/38/64/29/751386429.db2.gz PZCVXPVURAEWTB-UHFFFAOYSA-N 1 1 329.375 0.587 20 30 ECEDMO NC(=O)C(=O)N1CC2(C1)CCC[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000981972286 751386433 /nfs/dbraw/zinc/38/64/33/751386433.db2.gz PZCVXPVURAEWTB-UHFFFAOYSA-N 1 1 329.375 0.587 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972618450 737110062 /nfs/dbraw/zinc/11/00/62/737110062.db2.gz YXAAGZWSKSWMRJ-VQIMIIECSA-N 1 1 344.459 0.925 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972618450 737110065 /nfs/dbraw/zinc/11/00/65/737110065.db2.gz YXAAGZWSKSWMRJ-VQIMIIECSA-N 1 1 344.459 0.925 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001023644750 737133625 /nfs/dbraw/zinc/13/36/25/737133625.db2.gz RNKUXQAXRWYPDD-UONOGXRCSA-N 1 1 329.466 0.425 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972629658 737161327 /nfs/dbraw/zinc/16/13/27/737161327.db2.gz CGCLYPHIPFQJOI-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972631989 737170825 /nfs/dbraw/zinc/17/08/25/737170825.db2.gz PGNSOYSRNGFNBR-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972631989 737170826 /nfs/dbraw/zinc/17/08/26/737170826.db2.gz PGNSOYSRNGFNBR-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633469 737178473 /nfs/dbraw/zinc/17/84/73/737178473.db2.gz FDDWIBBJVATSFH-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633469 737178475 /nfs/dbraw/zinc/17/84/75/737178475.db2.gz FDDWIBBJVATSFH-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cn(CC)nn3)C2)C1=O ZINC000972636854 737187158 /nfs/dbraw/zinc/18/71/58/737187158.db2.gz WYZFRSLPOFOVGS-ZFWWWQNUSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001023692833 737207133 /nfs/dbraw/zinc/20/71/33/737207133.db2.gz LSTTVIVFDBCSPS-CQSZACIVSA-N 1 1 346.431 0.834 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@H](C)O)CCO3)cn1 ZINC000972644223 737239144 /nfs/dbraw/zinc/23/91/44/737239144.db2.gz WEJRNGPEUGPHIG-KSSFIOAISA-N 1 1 329.400 0.361 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@H](C)O)CCO3)cn1 ZINC000972644223 737239146 /nfs/dbraw/zinc/23/91/46/737239146.db2.gz WEJRNGPEUGPHIG-KSSFIOAISA-N 1 1 329.400 0.361 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972658380 737268171 /nfs/dbraw/zinc/26/81/71/737268171.db2.gz FHIDSGQREXOMEO-CRAIPNDOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 ZINC000972669847 737317701 /nfs/dbraw/zinc/31/77/01/737317701.db2.gz UAUNITSUFIZHPM-GOSISDBHSA-N 1 1 331.416 0.728 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 ZINC000972669847 737317705 /nfs/dbraw/zinc/31/77/05/737317705.db2.gz UAUNITSUFIZHPM-GOSISDBHSA-N 1 1 331.416 0.728 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(CC)CCO3)C2)C1 ZINC000972682071 737370333 /nfs/dbraw/zinc/37/03/33/737370333.db2.gz CHROSGKDMRMGEL-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(CC)CCO3)C2)C1 ZINC000972682071 737370336 /nfs/dbraw/zinc/37/03/36/737370336.db2.gz CHROSGKDMRMGEL-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO O=C(NCC#CCO)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000923774307 737382539 /nfs/dbraw/zinc/38/25/39/737382539.db2.gz VHZFMRWEGXEJNZ-QGZVFWFLSA-N 1 1 331.416 0.438 20 30 ECEDMO CN(C)c1noc(C[NH2+]C[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001023979921 737578302 /nfs/dbraw/zinc/57/83/02/737578302.db2.gz VZLDKKRHJRBMFQ-AWEZNQCLSA-N 1 1 331.420 0.877 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCN3CCCC3=O)C2)cn1 ZINC000972756248 737597514 /nfs/dbraw/zinc/59/75/14/737597514.db2.gz KIWRJOVBWCFATQ-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083265758 737755358 /nfs/dbraw/zinc/75/53/58/737755358.db2.gz PECGQMVXMIPMMJ-QGTPRVQTSA-N 1 1 342.395 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3(CF)CC3)C[C@H]21 ZINC000972834588 737758596 /nfs/dbraw/zinc/75/85/96/737758596.db2.gz ABDSYIHDHBGOJV-OWCLPIDISA-N 1 1 347.434 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3(CF)CC3)C[C@H]21 ZINC000972834588 737758599 /nfs/dbraw/zinc/75/85/99/737758599.db2.gz ABDSYIHDHBGOJV-OWCLPIDISA-N 1 1 347.434 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(C)(F)F)C[C@H]21 ZINC000972835040 737758867 /nfs/dbraw/zinc/75/88/67/737758867.db2.gz LMXBIAYBJSRQKK-HZSPNIEDSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(C)(F)F)C[C@H]21 ZINC000972835040 737758872 /nfs/dbraw/zinc/75/88/72/737758872.db2.gz LMXBIAYBJSRQKK-HZSPNIEDSA-N 1 1 339.386 0.799 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)cn1 ZINC001024242917 737848154 /nfs/dbraw/zinc/84/81/54/737848154.db2.gz QPZBCZBTSUHCQS-ZDUSSCGKSA-N 1 1 339.403 0.228 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnccn2)C1=O ZINC001024310101 737894235 /nfs/dbraw/zinc/89/42/35/737894235.db2.gz HCVMUAXGCCGOLA-GOEBONIOSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnccn2)C1=O ZINC001024310101 737894238 /nfs/dbraw/zinc/89/42/38/737894238.db2.gz HCVMUAXGCCGOLA-GOEBONIOSA-N 1 1 343.431 0.848 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NC2CC2)[nH]1 ZINC001024395439 737938653 /nfs/dbraw/zinc/93/86/53/737938653.db2.gz ZXQUOMIWOZSCAS-AWEZNQCLSA-N 1 1 329.404 0.749 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NC2CC2)[nH]1 ZINC001024395439 737938656 /nfs/dbraw/zinc/93/86/56/737938656.db2.gz ZXQUOMIWOZSCAS-AWEZNQCLSA-N 1 1 329.404 0.749 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NC2CC2)c[nH]1 ZINC001024399163 737940213 /nfs/dbraw/zinc/94/02/13/737940213.db2.gz DWENPSWANVYVDT-HNNXBMFYSA-N 1 1 329.404 0.749 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NC2CC2)c[nH]1 ZINC001024399163 737940218 /nfs/dbraw/zinc/94/02/18/737940218.db2.gz DWENPSWANVYVDT-HNNXBMFYSA-N 1 1 329.404 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1nc(C)no1 ZINC001024488098 738015062 /nfs/dbraw/zinc/01/50/62/738015062.db2.gz VINNJCUGMYSXKA-HOTGVXAUSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1nc(C)no1 ZINC001024488098 738015066 /nfs/dbraw/zinc/01/50/66/738015066.db2.gz VINNJCUGMYSXKA-HOTGVXAUSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cn(CCOC)nn3)C(C)(C)[C@H]21 ZINC001087284401 738109474 /nfs/dbraw/zinc/10/94/74/738109474.db2.gz HQMAUMLRMZXNDL-KBMXLJTQSA-N 1 1 345.447 0.777 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccn4nnnc34)C(C)(C)[C@@H]21 ZINC001087288147 738119953 /nfs/dbraw/zinc/11/99/53/738119953.db2.gz SAZXUHVHRIJINR-BPLDGKMQSA-N 1 1 338.415 0.976 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001024576491 738123149 /nfs/dbraw/zinc/12/31/49/738123149.db2.gz VAHQAPZMUCJNTO-CQSZACIVSA-N 1 1 341.415 0.939 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001024576491 738123151 /nfs/dbraw/zinc/12/31/51/738123151.db2.gz VAHQAPZMUCJNTO-CQSZACIVSA-N 1 1 341.415 0.939 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001024574695 738123754 /nfs/dbraw/zinc/12/37/54/738123754.db2.gz BKDGCNUYLZCWBP-YESZJQIVSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001024575395 738124210 /nfs/dbraw/zinc/12/42/10/738124210.db2.gz JJEBSKLJSIBVJT-CYBMUJFWSA-N 1 1 327.392 0.828 20 30 ECEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCC(=O)NC1=O)C2 ZINC001098166056 738149430 /nfs/dbraw/zinc/14/94/30/738149430.db2.gz YFOXYCCORJRQOQ-MCIONIFRSA-N 1 1 334.420 0.616 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@H]21 ZINC001087298405 738156968 /nfs/dbraw/zinc/15/69/68/738156968.db2.gz FPLZASXLZNQFRS-JLSDUUJJSA-N 1 1 346.475 0.047 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001024622348 738179280 /nfs/dbraw/zinc/17/92/80/738179280.db2.gz VLDDOJDEFICRRR-GJZGRUSLSA-N 1 1 329.448 0.914 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001024628525 738185316 /nfs/dbraw/zinc/18/53/16/738185316.db2.gz RYLVDZVPGZATBY-HZPDHXFCSA-N 1 1 341.415 0.710 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001024686220 738219300 /nfs/dbraw/zinc/21/93/00/738219300.db2.gz YSKRCFZKCCWPRU-CQSZACIVSA-N 1 1 348.447 0.635 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(=O)oc4ccccc43)[C@H]2C1 ZINC001083271447 738241477 /nfs/dbraw/zinc/24/14/77/738241477.db2.gz JUKHUESTQWIMDE-GOEBONIOSA-N 1 1 343.383 0.692 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(=O)oc4ccccc43)[C@H]2C1 ZINC001083271447 738241480 /nfs/dbraw/zinc/24/14/80/738241480.db2.gz JUKHUESTQWIMDE-GOEBONIOSA-N 1 1 343.383 0.692 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ccncn2)C1=O ZINC001024718262 738247015 /nfs/dbraw/zinc/24/70/15/738247015.db2.gz OHNLYMKUFWXZID-ZBFHGGJFSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ccncn2)C1=O ZINC001024718262 738247019 /nfs/dbraw/zinc/24/70/19/738247019.db2.gz OHNLYMKUFWXZID-ZBFHGGJFSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnon2)C1=O ZINC001024720321 738249441 /nfs/dbraw/zinc/24/94/41/738249441.db2.gz IIOQDASLDCJMPA-TZMCWYRMSA-N 1 1 333.392 0.441 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnon2)C1=O ZINC001024720321 738249442 /nfs/dbraw/zinc/24/94/42/738249442.db2.gz IIOQDASLDCJMPA-TZMCWYRMSA-N 1 1 333.392 0.441 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ncccn2)C1=O ZINC001024724581 738251387 /nfs/dbraw/zinc/25/13/87/738251387.db2.gz XOBXHYRTHSDJDN-GJZGRUSLSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ncccn2)C1=O ZINC001024724581 738251389 /nfs/dbraw/zinc/25/13/89/738251389.db2.gz XOBXHYRTHSDJDN-GJZGRUSLSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C(C)(C)[C@H]21 ZINC001087316371 738271632 /nfs/dbraw/zinc/27/16/32/738271632.db2.gz QPTZSFBQONAAHB-KBMXLJTQSA-N 1 1 345.447 0.129 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C(C)(C)[C@H]21 ZINC001087316589 738272189 /nfs/dbraw/zinc/27/21/89/738272189.db2.gz UUDUPTDNTXHTFQ-BNOWGMLFSA-N 1 1 344.415 0.338 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cn(C)c(=O)n3C)C(C)(C)[C@H]21 ZINC001087319852 738293431 /nfs/dbraw/zinc/29/34/31/738293431.db2.gz VMRLIXPESYWGJW-KBMXLJTQSA-N 1 1 344.459 0.966 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3nc4ncccn4n3)[C@H]2C1 ZINC001083273889 738380157 /nfs/dbraw/zinc/38/01/57/738380157.db2.gz MIOUQYKMASBQSR-UONOGXRCSA-N 1 1 342.403 0.155 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc(=O)n(C)cn1 ZINC001025243233 738918620 /nfs/dbraw/zinc/91/86/20/738918620.db2.gz MZMJAHMSIKEMMU-HOTGVXAUSA-N 1 1 328.416 0.873 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccncc2C)C1 ZINC000973242321 738965192 /nfs/dbraw/zinc/96/51/92/738965192.db2.gz KZYLROVAFQKWQQ-ZOBUZTSGSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccncc2C)C1 ZINC000973242321 738965194 /nfs/dbraw/zinc/96/51/94/738965194.db2.gz KZYLROVAFQKWQQ-ZOBUZTSGSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000973242607 738965558 /nfs/dbraw/zinc/96/55/58/738965558.db2.gz GALHAESGMVNTKJ-CYDGBPFRSA-N 1 1 325.359 0.503 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000973242607 738965562 /nfs/dbraw/zinc/96/55/62/738965562.db2.gz GALHAESGMVNTKJ-CYDGBPFRSA-N 1 1 325.359 0.503 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001025287260 739006941 /nfs/dbraw/zinc/00/69/41/739006941.db2.gz CJCDSVJUEPHPLH-GJZGRUSLSA-N 1 1 348.447 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001025290065 739011215 /nfs/dbraw/zinc/01/12/15/739011215.db2.gz XOEQLCGJMHEURG-LSDHHAIUSA-N 1 1 346.431 0.359 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025298285 739019221 /nfs/dbraw/zinc/01/92/21/739019221.db2.gz VXKYJOHPIQQAAK-UONOGXRCSA-N 1 1 334.420 0.570 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nc2)C1 ZINC001104579465 739037052 /nfs/dbraw/zinc/03/70/52/739037052.db2.gz NLNYVOCZYLCHSB-XJKSGUPXSA-N 1 1 331.420 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nc2)C1 ZINC001104579465 739037056 /nfs/dbraw/zinc/03/70/56/739037056.db2.gz NLNYVOCZYLCHSB-XJKSGUPXSA-N 1 1 331.420 0.933 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000973354723 739140267 /nfs/dbraw/zinc/14/02/67/739140267.db2.gz BNTAXTRFDUYMNF-YHUYYLMFSA-N 1 1 347.459 0.969 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccnn2C)nn1 ZINC001028187278 751419219 /nfs/dbraw/zinc/41/92/19/751419219.db2.gz HHXSLCXQDQOYEY-HNNXBMFYSA-N 1 1 343.435 0.635 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000981989423 751421788 /nfs/dbraw/zinc/42/17/88/751421788.db2.gz CALWUWFQIKGSNC-BMFZPTHFSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000981989423 751421793 /nfs/dbraw/zinc/42/17/93/751421793.db2.gz CALWUWFQIKGSNC-BMFZPTHFSA-N 1 1 335.448 0.779 20 30 ECEDMO C[C@@H](CNc1ccncc1C#N)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104623104 739256846 /nfs/dbraw/zinc/25/68/46/739256846.db2.gz SNELAQRBIBJHIC-AWEZNQCLSA-N 1 1 331.420 0.356 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000973432608 739274185 /nfs/dbraw/zinc/27/41/85/739274185.db2.gz KSJXDSQKFXMSSJ-BRWVUGGUSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)N(C)C)nn1 ZINC001028192150 751431358 /nfs/dbraw/zinc/43/13/58/751431358.db2.gz HLLCTPGGYHCSTM-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(C)C)nn1 ZINC001028192150 751431362 /nfs/dbraw/zinc/43/13/62/751431362.db2.gz HLLCTPGGYHCSTM-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+]([C@@H]2CCN(CC)C2=O)CC1 ZINC000981994977 751433078 /nfs/dbraw/zinc/43/30/78/751433078.db2.gz YDTUNQIAVYIJEK-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+]([C@@H]2CCN(CC)C2=O)CC1 ZINC000981994977 751433084 /nfs/dbraw/zinc/43/30/84/751433084.db2.gz YDTUNQIAVYIJEK-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](CC)C(N)=O)nn1 ZINC001028192982 751433453 /nfs/dbraw/zinc/43/34/53/751433453.db2.gz SRSNXWGOEWLEJV-OCCSQVGLSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](CC)C(N)=O)nn1 ZINC001028192982 751433455 /nfs/dbraw/zinc/43/34/55/751433455.db2.gz SRSNXWGOEWLEJV-OCCSQVGLSA-N 1 1 334.424 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC001028192914 751433469 /nfs/dbraw/zinc/43/34/69/751433469.db2.gz NADYTNCMUWUDTR-XYJFISCASA-N 1 1 340.427 0.815 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000987993239 751434290 /nfs/dbraw/zinc/43/42/90/751434290.db2.gz PJDYGIMHFDZZBO-MSOLQXFVSA-N 1 1 341.455 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000987993239 751434295 /nfs/dbraw/zinc/43/42/95/751434295.db2.gz PJDYGIMHFDZZBO-MSOLQXFVSA-N 1 1 341.455 0.804 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001025392606 739361397 /nfs/dbraw/zinc/36/13/97/739361397.db2.gz YPDUUJCWVQBDFP-OLZOCXBDSA-N 1 1 331.420 0.805 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104685246 739475194 /nfs/dbraw/zinc/47/51/94/739475194.db2.gz MUJWUVLMADZHOB-UONOGXRCSA-N 1 1 330.436 0.902 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000988012422 751451379 /nfs/dbraw/zinc/45/13/79/751451379.db2.gz GVFWIEUGXANABC-KBPBESRZSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001025471825 739615323 /nfs/dbraw/zinc/61/53/23/739615323.db2.gz IUFVVNPMSZZEGU-ZIAGYGMSSA-N 1 1 330.432 0.978 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001025477362 739634627 /nfs/dbraw/zinc/63/46/27/739634627.db2.gz GVMAFDPYGQQAIG-LSDHHAIUSA-N 1 1 346.431 0.353 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2O)C1 ZINC001025549101 739705358 /nfs/dbraw/zinc/70/53/58/739705358.db2.gz YUMRMPPZQXSYBT-BZUAXINKSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025615007 739777408 /nfs/dbraw/zinc/77/74/08/739777408.db2.gz RHQVJSKBUSMUQN-CHWSQXEVSA-N 1 1 331.420 0.982 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025614873 739777484 /nfs/dbraw/zinc/77/74/84/739777484.db2.gz PQCXZLYFMLILOR-STQMWFEESA-N 1 1 331.420 0.982 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C2(C(=O)N(C)C(C)C)CC2)CC1 ZINC001098515773 751479277 /nfs/dbraw/zinc/47/92/77/751479277.db2.gz JWXCDNRYIALERD-UHFFFAOYSA-N 1 1 349.475 0.552 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001025686341 739862195 /nfs/dbraw/zinc/86/21/95/739862195.db2.gz BWGWBPBGKHJZNY-BPLDGKMQSA-N 1 1 335.448 0.372 20 30 ECEDMO CC(F)(F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112033705 739968887 /nfs/dbraw/zinc/96/88/87/739968887.db2.gz VXYSPQZWDNRMKS-HTQZYQBOSA-N 1 1 342.268 0.260 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)C1 ZINC001058663492 740037525 /nfs/dbraw/zinc/03/75/25/740037525.db2.gz UPDJEGJKPRVQRW-CABCVRRESA-N 1 1 338.452 0.205 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070003025 790300530 /nfs/dbraw/zinc/30/05/30/790300530.db2.gz HJQGYRDTFGALSM-OLZOCXBDSA-N 1 1 343.391 0.314 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006120 790305943 /nfs/dbraw/zinc/30/59/43/790305943.db2.gz DRCIQIZWJSIUCM-ZACQAIPSSA-N 1 1 344.463 0.375 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(C)C)C[C@H]1C(F)(F)F ZINC001112036651 740138632 /nfs/dbraw/zinc/13/86/32/740138632.db2.gz HDVZQGDIBKQATQ-VXGBXAGGSA-N 1 1 333.354 0.761 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)CCO2 ZINC001068463252 790317443 /nfs/dbraw/zinc/31/74/43/790317443.db2.gz CUBMZEBFYMUSOQ-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001068463652 790319200 /nfs/dbraw/zinc/31/92/00/790319200.db2.gz KCLWUHWCIHPHPQ-HZPDHXFCSA-N 1 1 347.459 0.427 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)COCC)C2)nn1 ZINC001098605262 740246023 /nfs/dbraw/zinc/24/60/23/740246023.db2.gz XFODHIWRRNRGLJ-HNNXBMFYSA-N 1 1 337.424 0.380 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(N)=O)n3)[C@H]2C1 ZINC001083287287 740251463 /nfs/dbraw/zinc/25/14/63/740251463.db2.gz AQOKTBVPYVHRAO-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[C@@H]2C(N)=O)s1 ZINC001025937597 740266230 /nfs/dbraw/zinc/26/62/30/740266230.db2.gz PNHXIPOPWVVGTQ-XPABHHOTSA-N 1 1 344.440 0.678 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(N(C)C)ccn3)[C@H]2C1 ZINC001083289531 740333272 /nfs/dbraw/zinc/33/32/72/740333272.db2.gz WTBDTPIZIRIMCH-DLBZAZTESA-N 1 1 328.416 0.696 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(N(C)C)ccn3)[C@H]2C1 ZINC001083289531 740333274 /nfs/dbraw/zinc/33/32/74/740333274.db2.gz WTBDTPIZIRIMCH-DLBZAZTESA-N 1 1 328.416 0.696 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001026056817 740344027 /nfs/dbraw/zinc/34/40/27/740344027.db2.gz DIFNGLIDZQGRQM-LGFJLYTPSA-N 1 1 333.432 0.245 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001026101908 740376871 /nfs/dbraw/zinc/37/68/71/740376871.db2.gz SOLNJFPKAUTNEI-KZJSETAVSA-N 1 1 347.459 0.681 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)COCC)C[C@H]1C(F)(F)F ZINC001112044004 740377589 /nfs/dbraw/zinc/37/75/89/740377589.db2.gz ZOSTZTNWUWGIQF-QJPTWQEYSA-N 1 1 349.353 0.140 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H](CC)C(N)=O)C3)nn1 ZINC000982058767 751538836 /nfs/dbraw/zinc/53/88/36/751538836.db2.gz XVULTTHRCVFGNR-AWEZNQCLSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CCC[N@H+](CCCO)C3)nn1 ZINC000982061083 751542068 /nfs/dbraw/zinc/54/20/68/751542068.db2.gz KFEIKLCGJCQWQY-UHFFFAOYSA-N 1 1 333.436 0.775 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)C1 ZINC000982064036 751544615 /nfs/dbraw/zinc/54/46/15/751544615.db2.gz IDGJZKHMSZRZPV-IAGOWNOFSA-N 1 1 342.443 0.846 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC000982064824 751544923 /nfs/dbraw/zinc/54/49/23/751544923.db2.gz YFCFOXNSCRXZJD-AWEZNQCLSA-N 1 1 341.477 0.521 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2cncc(C#N)n2)C1 ZINC001104795645 740516127 /nfs/dbraw/zinc/51/61/27/740516127.db2.gz WGNINBXTQZCEIN-HIFRSBDPSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2cncc(C#N)n2)C1 ZINC001104795645 740516128 /nfs/dbraw/zinc/51/61/28/740516128.db2.gz WGNINBXTQZCEIN-HIFRSBDPSA-N 1 1 346.435 0.716 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)n1 ZINC001026229118 740533435 /nfs/dbraw/zinc/53/34/35/740533435.db2.gz HGNAFLQEIAFSNN-YNEHKIRRSA-N 1 1 340.391 0.050 20 30 ECEDMO C[C@H]([NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1C(F)(F)F)C(N)=O ZINC001112052977 740568850 /nfs/dbraw/zinc/56/88/50/740568850.db2.gz MEKPFHFMPLAGOV-DJLDLDEBSA-N 1 1 338.355 0.096 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCO)C2)nn1 ZINC001087395767 740579153 /nfs/dbraw/zinc/57/91/53/740579153.db2.gz HWADNMQLKSMUKI-JKQORVJESA-N 1 1 345.447 0.629 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCC)C[C@H]1C(F)(F)F ZINC001112053927 740603758 /nfs/dbraw/zinc/60/37/58/740603758.db2.gz JOEQEIJPFZDFET-IJLUTSLNSA-N 1 1 349.353 0.140 20 30 ECEDMO Cc1ccc(C#N)c(N(C)CCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001112055017 740650396 /nfs/dbraw/zinc/65/03/96/740650396.db2.gz CSZNVYHTRFHLTK-MRXNPFEDSA-N 1 1 345.447 0.877 20 30 ECEDMO Cc1ccc(C#N)c(N(C)CCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001112055017 740650397 /nfs/dbraw/zinc/65/03/97/740650397.db2.gz CSZNVYHTRFHLTK-MRXNPFEDSA-N 1 1 345.447 0.877 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000973957186 740659474 /nfs/dbraw/zinc/65/94/74/740659474.db2.gz CWEPQEQXBORLFD-LZWOXQAQSA-N 1 1 326.400 0.534 20 30 ECEDMO CN(CCCN(C)c1ccc(C#N)nc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001112055831 740670744 /nfs/dbraw/zinc/67/07/44/740670744.db2.gz VPCNBSWMVBUWRL-MRXNPFEDSA-N 1 1 331.420 0.569 20 30 ECEDMO CN(CCCN(C)c1ccc(C#N)nc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001112055831 740670746 /nfs/dbraw/zinc/67/07/46/740670746.db2.gz VPCNBSWMVBUWRL-MRXNPFEDSA-N 1 1 331.420 0.569 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnccc2C)C1 ZINC000973984675 740729902 /nfs/dbraw/zinc/72/99/02/740729902.db2.gz SPJPKGVUQCQAJD-UXLLHSPISA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnccc2C)C1 ZINC000973984675 740729905 /nfs/dbraw/zinc/72/99/05/740729905.db2.gz SPJPKGVUQCQAJD-UXLLHSPISA-N 1 1 340.427 0.865 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)c1 ZINC000974005924 740758553 /nfs/dbraw/zinc/75/85/53/740758553.db2.gz YPGZQIKPMHQUPR-IYOUNJFTSA-N 1 1 341.415 0.749 20 30 ECEDMO CC(C)C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104926564 740949543 /nfs/dbraw/zinc/94/95/43/740949543.db2.gz VXZYUFNCXKOLSP-LSDHHAIUSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104926564 740949547 /nfs/dbraw/zinc/94/95/47/740949547.db2.gz VXZYUFNCXKOLSP-LSDHHAIUSA-N 1 1 346.435 0.622 20 30 ECEDMO C#CC[NH+]1CCC2(CC1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001098614223 740983758 /nfs/dbraw/zinc/98/37/58/740983758.db2.gz KBPISNXOMGDDQR-OAHLLOKOSA-N 1 1 343.427 0.714 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000974146149 741002998 /nfs/dbraw/zinc/00/29/98/741002998.db2.gz BKRZPZKDCXDESZ-RBZJEDDUSA-N 1 1 335.448 0.683 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000974151145 741021513 /nfs/dbraw/zinc/02/15/13/741021513.db2.gz LVXSDZSMCKMHFB-BARDWOONSA-N 1 1 332.404 0.546 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C(N)=O)ccn3)[C@H]2C1 ZINC001083294896 741027817 /nfs/dbraw/zinc/02/78/17/741027817.db2.gz ZKVTZHMNQQNENQ-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(N)=O)ccn3)[C@H]2C1 ZINC001083294896 741027824 /nfs/dbraw/zinc/02/78/24/741027824.db2.gz ZKVTZHMNQQNENQ-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCc1ccns1 ZINC001038365901 741031044 /nfs/dbraw/zinc/03/10/44/741031044.db2.gz DDDAMCFHUGEMLQ-HOCLYGCPSA-N 1 1 332.473 0.974 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCc1ccns1 ZINC001038365901 741031050 /nfs/dbraw/zinc/03/10/50/741031050.db2.gz DDDAMCFHUGEMLQ-HOCLYGCPSA-N 1 1 332.473 0.974 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)nc1 ZINC001059856992 751602673 /nfs/dbraw/zinc/60/26/73/751602673.db2.gz HRVTVJWWJDRJLX-XUWVNRHRSA-N 1 1 341.415 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)cn1 ZINC001087406248 741158678 /nfs/dbraw/zinc/15/86/78/741158678.db2.gz WDTVSJPSKUJMKR-LLLHUVSDSA-N 1 1 338.411 0.331 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C)cn1 ZINC001020441052 751612918 /nfs/dbraw/zinc/61/29/18/751612918.db2.gz FLMLWOOOYYFAHD-QRTARXTBSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+]([C@H](C)C(N)=O)C3)cn1 ZINC000982122709 751617615 /nfs/dbraw/zinc/61/76/15/751617615.db2.gz NZUBALBUMJAVQC-CYBMUJFWSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@H](C)C(N)=O)C3)cn1 ZINC000982122709 751617616 /nfs/dbraw/zinc/61/76/16/751617616.db2.gz NZUBALBUMJAVQC-CYBMUJFWSA-N 1 1 326.400 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001006653832 751627045 /nfs/dbraw/zinc/62/70/45/751627045.db2.gz SIIACZKNWNVMDY-UONOGXRCSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001006653832 751627050 /nfs/dbraw/zinc/62/70/50/751627050.db2.gz SIIACZKNWNVMDY-UONOGXRCSA-N 1 1 335.404 0.242 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000974344583 741358620 /nfs/dbraw/zinc/35/86/20/741358620.db2.gz BOLXVBLVIGOVTC-SJWGOKEGSA-N 1 1 340.427 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(C)CC=CC1 ZINC001058714578 741370824 /nfs/dbraw/zinc/37/08/24/741370824.db2.gz DRKHAAWBHXZDGU-INIZCTEOSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(C)CC=CC1 ZINC001058714578 741370827 /nfs/dbraw/zinc/37/08/27/741370827.db2.gz DRKHAAWBHXZDGU-INIZCTEOSA-N 1 1 347.459 0.377 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001059858945 751632746 /nfs/dbraw/zinc/63/27/46/751632746.db2.gz FVPMBDNTFSSCCP-RFQIPJPRSA-N 1 1 328.420 0.560 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCCO3)C2)nn1 ZINC001105169914 741434647 /nfs/dbraw/zinc/43/46/47/741434647.db2.gz OSWRYUUPZCGJAD-INIZCTEOSA-N 1 1 349.435 0.523 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000982141816 751637655 /nfs/dbraw/zinc/63/76/55/751637655.db2.gz SSYKVPCBYVERIE-ZDUSSCGKSA-N 1 1 334.420 0.475 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(n2cc(C[NH2+]CCOCC3CCC3)nn2)C1 ZINC001105190205 741453684 /nfs/dbraw/zinc/45/36/84/741453684.db2.gz SMGVCEURMMPRFM-CYBMUJFWSA-N 1 1 346.435 0.727 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3nccn3CC)C2)nn1 ZINC001105221364 741494945 /nfs/dbraw/zinc/49/49/45/741494945.db2.gz JKIDCCXUTGSPOD-UHFFFAOYSA-N 1 1 329.408 0.857 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nc(C)no2)CC1 ZINC001026508494 741495481 /nfs/dbraw/zinc/49/54/81/741495481.db2.gz YFRNCKPQGUTEQT-GPANFISMSA-N 1 1 345.447 0.993 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105240434 741531417 /nfs/dbraw/zinc/53/14/17/741531417.db2.gz NERJNZNQQBKBSS-QGZVFWFLSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240434 741531421 /nfs/dbraw/zinc/53/14/21/741531421.db2.gz NERJNZNQQBKBSS-QGZVFWFLSA-N 1 1 344.463 0.647 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cnn(C)c3C)C2)nn1 ZINC001105249103 741552651 /nfs/dbraw/zinc/55/26/51/741552651.db2.gz JMYDEFWYPYALKP-UHFFFAOYSA-N 1 1 343.435 0.612 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC000982138574 751652098 /nfs/dbraw/zinc/65/20/98/751652098.db2.gz ASJMVSZXICTKQW-UHFFFAOYSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCn4cncc4C3)C2)nn1 ZINC001105272336 741617662 /nfs/dbraw/zinc/61/76/62/741617662.db2.gz HGWACNAHWSUZTD-ZDUSSCGKSA-N 1 1 341.419 0.396 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCOC[C@H]3CCCO3)C2)nn1 ZINC001105275139 741620847 /nfs/dbraw/zinc/62/08/47/741620847.db2.gz DRBFQEAHNLTDJS-MRXNPFEDSA-N 1 1 349.435 0.523 20 30 ECEDMO C#CCCCCC(=O)NCC[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001125938848 741682593 /nfs/dbraw/zinc/68/25/93/741682593.db2.gz MGSKFPOOTNALHJ-UHFFFAOYSA-N 1 1 330.392 0.468 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058730658 741762813 /nfs/dbraw/zinc/76/28/13/741762813.db2.gz DCQLEYKNUPNVOE-PBHICJAKSA-N 1 1 325.453 0.478 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000982160414 751667717 /nfs/dbraw/zinc/66/77/17/751667717.db2.gz XHEIHKBSQSIPIS-UHFFFAOYSA-N 1 1 326.400 0.742 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cncnc3)C(C)(C)C2)C1=O ZINC000974493235 741806733 /nfs/dbraw/zinc/80/67/33/741806733.db2.gz TXHZOJGLNGUWHE-GJZGRUSLSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cncnc3)C(C)(C)C2)C1=O ZINC000974493235 741806739 /nfs/dbraw/zinc/80/67/39/741806739.db2.gz TXHZOJGLNGUWHE-GJZGRUSLSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCCC[NH2+]Cc1cn(C2CN(C(=O)CCc3c[nH]nn3)C2)nn1 ZINC001105329968 741833051 /nfs/dbraw/zinc/83/30/51/741833051.db2.gz HTTPGOABAQKJOH-UHFFFAOYSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCCC[NH2+]Cc1cn(C2CN(C(=O)CCc3cnn[nH]3)C2)nn1 ZINC001105329968 741833056 /nfs/dbraw/zinc/83/30/56/741833056.db2.gz HTTPGOABAQKJOH-UHFFFAOYSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ncn(C)n3)C(C)(C)C2)C1=O ZINC000974561069 741892174 /nfs/dbraw/zinc/89/21/74/741892174.db2.gz NHYFXYSATDEFEI-CHWSQXEVSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ncn(C)n3)C(C)(C)C2)C1=O ZINC000974561069 741892177 /nfs/dbraw/zinc/89/21/77/741892177.db2.gz NHYFXYSATDEFEI-CHWSQXEVSA-N 1 1 346.435 0.042 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCN2c2ncccn2)C(C)(C)C1 ZINC000974674698 741987215 /nfs/dbraw/zinc/98/72/15/741987215.db2.gz IVFIUTSUHBSHQM-CABCVRRESA-N 1 1 327.432 0.905 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNc2ccc(C#N)nn2)CC[N@H+]1C ZINC001111581841 742040352 /nfs/dbraw/zinc/04/03/52/742040352.db2.gz PIXOYSWVNVQTPV-LSDHHAIUSA-N 1 1 346.435 0.311 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)C(C)(C)C1 ZINC000974773625 742168039 /nfs/dbraw/zinc/16/80/39/742168039.db2.gz LGUPFCSZGXQMMF-MRXNPFEDSA-N 1 1 345.443 0.958 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2OCC(N)=O)C(C)(C)C1 ZINC000974791984 742182308 /nfs/dbraw/zinc/18/23/08/742182308.db2.gz RSGSRIQUFSYVEP-HNNXBMFYSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccccc2OCC(N)=O)C(C)(C)C1 ZINC000974791984 742182311 /nfs/dbraw/zinc/18/23/11/742182311.db2.gz RSGSRIQUFSYVEP-HNNXBMFYSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822460 742218031 /nfs/dbraw/zinc/21/80/31/742218031.db2.gz BEDVOELXCIGFPA-YJTLQXIOSA-N 1 1 331.460 0.700 20 30 ECEDMO C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822460 742218035 /nfs/dbraw/zinc/21/80/35/742218035.db2.gz BEDVOELXCIGFPA-YJTLQXIOSA-N 1 1 331.460 0.700 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000974862384 742269416 /nfs/dbraw/zinc/26/94/16/742269416.db2.gz JYQFUDQTFQWJNJ-CQSZACIVSA-N 1 1 327.392 0.684 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000974878180 742281248 /nfs/dbraw/zinc/28/12/48/742281248.db2.gz LQOUTCVXGALTOD-KBPBESRZSA-N 1 1 331.420 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3csnn3)C(C)(C)C2)C1=O ZINC000974893322 742300440 /nfs/dbraw/zinc/30/04/40/742300440.db2.gz GOLQFTOUTLEMLX-CHWSQXEVSA-N 1 1 349.460 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3csnn3)C(C)(C)C2)C1=O ZINC000974893322 742300445 /nfs/dbraw/zinc/30/04/45/742300445.db2.gz GOLQFTOUTLEMLX-CHWSQXEVSA-N 1 1 349.460 0.765 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2C[N@H+](Cc3cccc(C#N)c3)CC2(C)C)n1 ZINC000974953210 742389232 /nfs/dbraw/zinc/38/92/32/742389232.db2.gz YCSBIQMHPJRLQZ-AWEZNQCLSA-N 1 1 339.403 0.722 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2C[N@@H+](Cc3cccc(C#N)c3)CC2(C)C)n1 ZINC000974953210 742389239 /nfs/dbraw/zinc/38/92/39/742389239.db2.gz YCSBIQMHPJRLQZ-AWEZNQCLSA-N 1 1 339.403 0.722 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)C1=O ZINC000974967685 742394679 /nfs/dbraw/zinc/39/46/79/742394679.db2.gz AQLYYDMGQXNJNV-LEOABGAYSA-N 1 1 347.459 0.492 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)C1=O ZINC000974967685 742394685 /nfs/dbraw/zinc/39/46/85/742394685.db2.gz AQLYYDMGQXNJNV-LEOABGAYSA-N 1 1 347.459 0.492 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974995670 742423336 /nfs/dbraw/zinc/42/33/36/742423336.db2.gz MVMYNWRMNWUWRX-LSDHHAIUSA-N 1 1 341.415 0.566 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+]([C@H](C)C(=O)NC)CC2(C)C)c1 ZINC000975008487 742444441 /nfs/dbraw/zinc/44/44/41/742444441.db2.gz ANFZDICPGMRZKJ-DOMZBBRYSA-N 1 1 328.416 0.638 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+]([C@H](C)C(=O)NC)CC2(C)C)c1 ZINC000975008487 742444443 /nfs/dbraw/zinc/44/44/43/742444443.db2.gz ANFZDICPGMRZKJ-DOMZBBRYSA-N 1 1 328.416 0.638 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C(C)(C)C1 ZINC000975068176 742470900 /nfs/dbraw/zinc/47/09/00/742470900.db2.gz BGDKLZQQIGWJLT-HNNXBMFYSA-N 1 1 328.416 0.952 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C(C)(C)C1 ZINC000975074962 742480009 /nfs/dbraw/zinc/48/00/09/742480009.db2.gz VLGUZDBIXNAHNN-AWEZNQCLSA-N 1 1 330.432 0.814 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 ZINC000975116738 742498564 /nfs/dbraw/zinc/49/85/64/742498564.db2.gz RIXLJQRQFLAPCY-CQSZACIVSA-N 1 1 348.447 0.490 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000975198772 742592878 /nfs/dbraw/zinc/59/28/78/742592878.db2.gz ZQJBYQOIZCDYRM-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000975185925 742598232 /nfs/dbraw/zinc/59/82/32/742598232.db2.gz NJMRUAXGFHTWAJ-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001028937363 742924236 /nfs/dbraw/zinc/92/42/36/742924236.db2.gz NWDHQUCUEQADOO-ZFWWWQNUSA-N 1 1 342.399 0.034 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001028941122 742939011 /nfs/dbraw/zinc/93/90/11/742939011.db2.gz SDKXIGMKUOWZHT-CZUORRHYSA-N 1 1 326.400 0.393 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2oncc2C)[C@H]1C ZINC001020544268 751781669 /nfs/dbraw/zinc/78/16/69/751781669.db2.gz CNVZILDGPQIGAW-KKUMJFAQSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2oncc2C)[C@H]1C ZINC001020544268 751781673 /nfs/dbraw/zinc/78/16/73/751781673.db2.gz CNVZILDGPQIGAW-KKUMJFAQSA-N 1 1 344.415 0.800 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001028961240 742997215 /nfs/dbraw/zinc/99/72/15/742997215.db2.gz SSWOZRPVTTYJIJ-UKRRQHHQSA-N 1 1 345.447 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC000996973598 743083362 /nfs/dbraw/zinc/08/33/62/743083362.db2.gz DHVAKZRWQKAXNR-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC000996973598 743083373 /nfs/dbraw/zinc/08/33/73/743083373.db2.gz DHVAKZRWQKAXNR-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccnc(C)n3)C2)C1=O ZINC001028992733 743111354 /nfs/dbraw/zinc/11/13/54/743111354.db2.gz KALKAOJAHDYENA-ZBFHGGJFSA-N 1 1 343.431 0.624 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC000997101848 743237370 /nfs/dbraw/zinc/23/73/70/743237370.db2.gz LIMIJRDXDUESIB-MLGOLLRUSA-N 1 1 326.400 0.201 20 30 ECEDMO CC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261984126 743265840 /nfs/dbraw/zinc/26/58/40/743265840.db2.gz POWHJWWGRLPMGT-CYBMUJFWSA-N 1 1 330.498 0.413 20 30 ECEDMO CCN1CC[C@H](CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261984126 743265847 /nfs/dbraw/zinc/26/58/47/743265847.db2.gz POWHJWWGRLPMGT-CYBMUJFWSA-N 1 1 330.498 0.413 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1cnco1 ZINC000975856296 743346406 /nfs/dbraw/zinc/34/64/06/743346406.db2.gz XCZIJZCWRDZPJU-GJZGRUSLSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1cnco1 ZINC000975856296 743346418 /nfs/dbraw/zinc/34/64/18/743346418.db2.gz XCZIJZCWRDZPJU-GJZGRUSLSA-N 1 1 344.415 0.883 20 30 ECEDMO C=CCCOCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)COC)nn2)C1 ZINC001105380993 743439416 /nfs/dbraw/zinc/43/94/16/743439416.db2.gz LCRQHMIVMYTIEH-ZDUSSCGKSA-N 1 1 337.424 0.379 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001105381265 743451699 /nfs/dbraw/zinc/45/16/99/743451699.db2.gz VTHMGJKTXRVTFI-CHWSQXEVSA-N 1 1 337.424 0.377 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)CC[NH+]3CCOCC3)C2)cc1 ZINC000997330858 743497201 /nfs/dbraw/zinc/49/72/01/743497201.db2.gz GVLDXQKZZFXQMR-UHFFFAOYSA-N 1 1 341.411 0.331 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001059170495 743542551 /nfs/dbraw/zinc/54/25/51/743542551.db2.gz BFHFSALBJGELQZ-YRGRVCCFSA-N 1 1 330.392 0.046 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001059170495 743542554 /nfs/dbraw/zinc/54/25/54/743542554.db2.gz BFHFSALBJGELQZ-YRGRVCCFSA-N 1 1 330.392 0.046 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000976287589 743789156 /nfs/dbraw/zinc/78/91/56/743789156.db2.gz UVLIVOLMNAVLGU-XDNAFOTISA-N 1 1 337.423 0.949 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC(C[NH2+]Cc2nnn(C)n2)CC1 ZINC000997831049 743842128 /nfs/dbraw/zinc/84/21/28/743842128.db2.gz PDKHUHWMVCFNCA-UHFFFAOYSA-N 1 1 343.435 0.840 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCO1 ZINC000976359438 743873842 /nfs/dbraw/zinc/87/38/42/743873842.db2.gz WZXYUEBXTQVBNM-BQJWPVKWSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCO1 ZINC000976359438 743873846 /nfs/dbraw/zinc/87/38/46/743873846.db2.gz WZXYUEBXTQVBNM-BQJWPVKWSA-N 1 1 345.443 0.226 20 30 ECEDMO C[N@@H+]([C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@H]1CCCNC1=O ZINC001027354654 743916480 /nfs/dbraw/zinc/91/64/80/743916480.db2.gz IFGDMAJCFZAJSK-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@@H+]([C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1CCCNC1=O ZINC001027354653 743916654 /nfs/dbraw/zinc/91/66/54/743916654.db2.gz IFGDMAJCFZAJSK-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000998152437 744009693 /nfs/dbraw/zinc/00/96/93/744009693.db2.gz BVXMVJGAGMUEAD-GJZGRUSLSA-N 1 1 343.493 0.909 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000998194784 744042931 /nfs/dbraw/zinc/04/29/31/744042931.db2.gz FKVOFSYYCIZPTH-HUUCEWRRSA-N 1 1 341.477 0.404 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cncnc3)C2)C1=O ZINC001027378295 744050161 /nfs/dbraw/zinc/05/01/61/744050161.db2.gz DVPXUKXQTXWHTJ-HZPDHXFCSA-N 1 1 343.431 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccnc(C)c2)C1 ZINC000998232551 744066810 /nfs/dbraw/zinc/06/68/10/744066810.db2.gz YODPIBWAMAFHFI-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccnc(C)c2)C1 ZINC000998232551 744066812 /nfs/dbraw/zinc/06/68/12/744066812.db2.gz YODPIBWAMAFHFI-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001058771243 744068994 /nfs/dbraw/zinc/06/89/94/744068994.db2.gz XEUWGHYRZRXVRP-CQSZACIVSA-N 1 1 337.464 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001006848941 751898996 /nfs/dbraw/zinc/89/89/96/751898996.db2.gz ZZVDKIFRAIRUQX-ZFWWWQNUSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001006848941 751899004 /nfs/dbraw/zinc/89/90/04/751899004.db2.gz ZZVDKIFRAIRUQX-ZFWWWQNUSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cccc(C)c2)C1 ZINC000998706687 744292257 /nfs/dbraw/zinc/29/22/57/744292257.db2.gz FHEBBVGLFOVDPK-SFHVURJKSA-N 1 1 339.439 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cccc(C)c2)C1 ZINC000998706687 744292258 /nfs/dbraw/zinc/29/22/58/744292258.db2.gz FHEBBVGLFOVDPK-SFHVURJKSA-N 1 1 339.439 0.962 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001059875498 751912083 /nfs/dbraw/zinc/91/20/83/751912083.db2.gz BFIFLLBATRLALK-OLZOCXBDSA-N 1 1 347.419 0.864 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CCc3nc[nH]n3)C2)C1=O ZINC000998860561 744375725 /nfs/dbraw/zinc/37/57/25/744375725.db2.gz WHUXCDHEJCIMJX-KBPBESRZSA-N 1 1 346.435 0.105 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]32)cc1 ZINC000976936808 744491801 /nfs/dbraw/zinc/49/18/01/744491801.db2.gz PWHVGARDWVZGBE-BDXSIMOUSA-N 1 1 337.423 0.806 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000999263254 744592542 /nfs/dbraw/zinc/59/25/42/744592542.db2.gz PDZYXUKWVKGXLH-HNNXBMFYSA-N 1 1 335.448 0.779 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)c1 ZINC000999319660 744623729 /nfs/dbraw/zinc/62/37/29/744623729.db2.gz LVFJMUJVOAIOFU-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nc(C)no2)C1 ZINC000999390770 744671282 /nfs/dbraw/zinc/67/12/82/744671282.db2.gz HRBLPEKNNVCQPF-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nc(C)no2)C1 ZINC000999390770 744671285 /nfs/dbraw/zinc/67/12/85/744671285.db2.gz HRBLPEKNNVCQPF-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(CC)n2)C1 ZINC000999427801 744693375 /nfs/dbraw/zinc/69/33/75/744693375.db2.gz NKSRWQZBYFNUIM-GDVJOBBMSA-N 1 1 333.436 0.968 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCN(C)C(=O)C3)C[C@@]2(C)C1 ZINC000982313188 751942421 /nfs/dbraw/zinc/94/24/21/751942421.db2.gz PDALJGNWONVUQK-HDICACEKSA-N 1 1 334.464 0.117 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cncn3C)C2)C1=O ZINC001027482631 744736410 /nfs/dbraw/zinc/73/64/10/744736410.db2.gz FDTJMXGZUASDDF-CABCVRRESA-N 1 1 345.447 0.743 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000977206925 744768048 /nfs/dbraw/zinc/76/80/48/744768048.db2.gz HAFZNSUAUAILRP-CKTDYHTKSA-N 1 1 341.415 0.271 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)c1 ZINC001041985447 782549021 /nfs/dbraw/zinc/54/90/21/782549021.db2.gz MYLHYLBFEXKTEO-BBRMVZONSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)c1 ZINC001041985447 782549023 /nfs/dbraw/zinc/54/90/23/782549023.db2.gz MYLHYLBFEXKTEO-BBRMVZONSA-N 1 1 344.390 0.996 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC2(C)C)nn1 ZINC000977272483 744827563 /nfs/dbraw/zinc/82/75/63/744827563.db2.gz JOMYNUBSCOCSRB-KBPBESRZSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC2(C)C)nn1 ZINC000977272483 744827566 /nfs/dbraw/zinc/82/75/66/744827566.db2.gz JOMYNUBSCOCSRB-KBPBESRZSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001027505758 744845091 /nfs/dbraw/zinc/84/50/91/744845091.db2.gz PMLVKMTXCYWPQK-CQSZACIVSA-N 1 1 327.392 0.780 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001027505757 744845111 /nfs/dbraw/zinc/84/51/11/744845111.db2.gz PMLVKMTXCYWPQK-AWEZNQCLSA-N 1 1 327.392 0.780 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[N@@H+]([C@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977301749 744846535 /nfs/dbraw/zinc/84/65/35/744846535.db2.gz IRWIQPBGOUBVKG-KGLIPLIRSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[N@H+]([C@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977301749 744846538 /nfs/dbraw/zinc/84/65/38/744846538.db2.gz IRWIQPBGOUBVKG-KGLIPLIRSA-N 1 1 348.451 0.558 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000977303487 744848008 /nfs/dbraw/zinc/84/80/08/744848008.db2.gz NBCJDIHIYYVLNO-CQSZACIVSA-N 1 1 346.435 0.029 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C(C)(C)C1 ZINC000977330602 744872835 /nfs/dbraw/zinc/87/28/35/744872835.db2.gz VNLABVCIFSIFPR-ZDUSSCGKSA-N 1 1 327.388 0.898 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccncn3)C(C)(C)C2)C1=O ZINC000977372153 744899548 /nfs/dbraw/zinc/89/95/48/744899548.db2.gz RLMAVTOANYYEPS-HUUCEWRRSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccncn3)C(C)(C)C2)C1=O ZINC000977372153 744899550 /nfs/dbraw/zinc/89/95/50/744899550.db2.gz RLMAVTOANYYEPS-HUUCEWRRSA-N 1 1 343.431 0.704 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000977437132 744965861 /nfs/dbraw/zinc/96/58/61/744965861.db2.gz BXKJUAVPPFBWBL-CQSZACIVSA-N 1 1 345.447 0.231 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977430818 744987615 /nfs/dbraw/zinc/98/76/15/744987615.db2.gz AHTLWTLCZFDTEB-DZGCQCFKSA-N 1 1 331.420 0.703 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999897960 745032083 /nfs/dbraw/zinc/03/20/83/745032083.db2.gz DSBHTTQFNOGGRL-CABCVRRESA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000977463052 745046757 /nfs/dbraw/zinc/04/67/57/745046757.db2.gz DWQUBWAHKXJHSV-SNVBAGLBSA-N 1 1 336.392 0.913 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc3nc(C)nn32)C(C)(C)C1 ZINC000977468781 745057073 /nfs/dbraw/zinc/05/70/73/745057073.db2.gz OAFRDRYRYLMAII-CQSZACIVSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cocn1 ZINC000977469652 745057448 /nfs/dbraw/zinc/05/74/48/745057448.db2.gz ABVNWEZHDAUQRF-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cocn1 ZINC000977469652 745057456 /nfs/dbraw/zinc/05/74/56/745057456.db2.gz ABVNWEZHDAUQRF-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2CCC[N@H+]2C)nc1 ZINC000977486957 745079255 /nfs/dbraw/zinc/07/92/55/745079255.db2.gz JLJXOASRXRIFCT-DOTOQJQBSA-N 1 1 340.427 0.830 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)n1 ZINC001027530451 745079293 /nfs/dbraw/zinc/07/92/93/745079293.db2.gz WUJAKVDIKLQTTQ-HNNXBMFYSA-N 1 1 339.403 0.818 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cncnc3C)nn2)C1 ZINC000999954839 745093993 /nfs/dbraw/zinc/09/39/93/745093993.db2.gz HMKBCQVIFJVJAU-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ncoc3C)nn2)C1 ZINC000999957578 745098419 /nfs/dbraw/zinc/09/84/19/745098419.db2.gz WBAZHCHVHNYUGP-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2[nH]c(C)nc2C)C1 ZINC000999962288 745105412 /nfs/dbraw/zinc/10/54/12/745105412.db2.gz JKBDWXXOAVPNNI-AWEZNQCLSA-N 1 1 329.404 0.065 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2[nH]c(C)nc2C)C1 ZINC000999962288 745105418 /nfs/dbraw/zinc/10/54/18/745105418.db2.gz JKBDWXXOAVPNNI-AWEZNQCLSA-N 1 1 329.404 0.065 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)nc3C)nn2)C1 ZINC000999963522 745107183 /nfs/dbraw/zinc/10/71/83/745107183.db2.gz RNHZQICIODTOIH-AWEZNQCLSA-N 1 1 329.408 0.683 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NCC[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001059197293 745112286 /nfs/dbraw/zinc/11/22/86/745112286.db2.gz AUGMPJDOCOLPBP-AWEZNQCLSA-N 1 1 340.493 0.938 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCC[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001059197500 745113743 /nfs/dbraw/zinc/11/37/43/745113743.db2.gz CUPKUOZXQXTALQ-CQSZACIVSA-N 1 1 340.493 0.940 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)n1 ZINC001027531924 745118088 /nfs/dbraw/zinc/11/80/88/745118088.db2.gz SFUXNWDPFHRKJX-LLVKDONJSA-N 1 1 345.432 0.880 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCNC(=O)C3)nn2)C1 ZINC000999979099 745128853 /nfs/dbraw/zinc/12/88/53/745128853.db2.gz ICRZVRFPSSOYHW-ZFWWWQNUSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CCC(O)CC3)nn2)C1 ZINC000999980387 745131061 /nfs/dbraw/zinc/13/10/61/745131061.db2.gz DJKYDLBZBSNPQB-OGVSOVDVSA-N 1 1 331.420 0.325 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(=O)NC)nc2)C(C)(C)C1 ZINC000977512631 745131546 /nfs/dbraw/zinc/13/15/46/745131546.db2.gz KLFHICODGISVKK-OAHLLOKOSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3coc(C)n3)nn2)C1 ZINC000999982580 745133780 /nfs/dbraw/zinc/13/37/80/745133780.db2.gz ZYINBXYMLFLZIG-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3CCC)nn2)C1 ZINC000999987400 745142206 /nfs/dbraw/zinc/14/22/06/745142206.db2.gz NUVBUVNUKULXTA-IAGOWNOFSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3CCC)nn2)C1 ZINC000999987400 745142209 /nfs/dbraw/zinc/14/22/09/745142209.db2.gz NUVBUVNUKULXTA-IAGOWNOFSA-N 1 1 344.463 0.649 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[N@H+]([C@H]2CCNC2=O)CC1(C)C ZINC000977524337 745142850 /nfs/dbraw/zinc/14/28/50/745142850.db2.gz DIOAHFSUMWSEJW-IRXDYDNUSA-N 1 1 339.439 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[N@@H+]([C@H]2CCNC2=O)CC1(C)C ZINC000977524337 745142852 /nfs/dbraw/zinc/14/28/52/745142852.db2.gz DIOAHFSUMWSEJW-IRXDYDNUSA-N 1 1 339.439 0.926 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn4c(n3)CCC4)nn2)C1 ZINC000999988696 745145256 /nfs/dbraw/zinc/14/52/56/745145256.db2.gz XLBVWOYKFJWMIJ-AWEZNQCLSA-N 1 1 339.403 0.231 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCNC3=O)nn2)C1 ZINC000999993423 745152230 /nfs/dbraw/zinc/15/22/30/745152230.db2.gz SWVSGXFDJGWTGT-CABCVRRESA-N 1 1 346.435 0.243 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000977534248 745156750 /nfs/dbraw/zinc/15/67/50/745156750.db2.gz LDSWXQMSQCHHRP-BBRMVZONSA-N 1 1 327.428 0.911 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[N@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000977534248 745156758 /nfs/dbraw/zinc/15/67/58/745156758.db2.gz LDSWXQMSQCHHRP-BBRMVZONSA-N 1 1 327.428 0.911 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cn(C)cn1 ZINC000977549006 745171009 /nfs/dbraw/zinc/17/10/09/745171009.db2.gz UOVOMRMKQMXJQD-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cn(C)cn1 ZINC000977549006 745171012 /nfs/dbraw/zinc/17/10/12/745171012.db2.gz UOVOMRMKQMXJQD-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(Cl)n3C)nn2)C1 ZINC001000005068 745172142 /nfs/dbraw/zinc/17/21/42/745172142.db2.gz YFETWKFDAPLCTC-LBPRGKRZSA-N 1 1 347.810 0.475 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)nn2)C1 ZINC001000021218 745191974 /nfs/dbraw/zinc/19/19/74/745191974.db2.gz QERHOKOZTQUUAU-VNHYZAJKSA-N 1 1 346.435 0.229 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)nn3CC)nn2)C1 ZINC001000023542 745194472 /nfs/dbraw/zinc/19/44/72/745194472.db2.gz DAJWAGFQFXMRMV-HNNXBMFYSA-N 1 1 341.419 0.613 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C)nn2)C1 ZINC001000023476 745194595 /nfs/dbraw/zinc/19/45/95/745194595.db2.gz BOJJTLCPDMZSTE-BMFZPTHFSA-N 1 1 331.420 0.589 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 ZINC001000028783 745202586 /nfs/dbraw/zinc/20/25/86/745202586.db2.gz LGRYZYJCOGCERL-CQSZACIVSA-N 1 1 344.423 0.550 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000977565555 745209931 /nfs/dbraw/zinc/20/99/31/745209931.db2.gz JHMUCFCQOWAYHZ-CYBMUJFWSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c4cccnc34)nn2)C1 ZINC001000037359 745215108 /nfs/dbraw/zinc/21/51/08/745215108.db2.gz QRFCZEHVYROAHD-AWEZNQCLSA-N 1 1 349.398 0.964 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnon3)nn2)C1 ZINC001000038587 745216980 /nfs/dbraw/zinc/21/69/80/745216980.db2.gz XENXHHKSAJARRU-ZDUSSCGKSA-N 1 1 331.380 0.804 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(CC)nn3)nn2)C1 ZINC001000038317 745217087 /nfs/dbraw/zinc/21/70/87/745217087.db2.gz VHVNDQJACOJVTK-CYBMUJFWSA-N 1 1 330.396 0.252 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3nccs3)nn2)C1 ZINC001000038839 745217635 /nfs/dbraw/zinc/21/76/35/745217635.db2.gz ZETPDYRVTWZNDA-ZDUSSCGKSA-N 1 1 330.417 0.935 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnc(C)n3)nn2)C1 ZINC001000043251 745223405 /nfs/dbraw/zinc/22/34/05/745223405.db2.gz OZNWWKZXAFOSQS-AWEZNQCLSA-N 1 1 325.376 0.187 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 ZINC001000043985 745224214 /nfs/dbraw/zinc/22/42/14/745224214.db2.gz SUULLBZRBUFYJD-CVEARBPZSA-N 1 1 345.451 0.539 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000977586017 745246012 /nfs/dbraw/zinc/24/60/12/745246012.db2.gz CPRXSEHIEFYSMV-ZDUSSCGKSA-N 1 1 334.420 0.892 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001075780426 745321782 /nfs/dbraw/zinc/32/17/82/745321782.db2.gz MIZUWHIPKQJQAR-HRCADAONSA-N 1 1 336.457 0.367 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001075780426 745321788 /nfs/dbraw/zinc/32/17/88/745321788.db2.gz MIZUWHIPKQJQAR-HRCADAONSA-N 1 1 336.457 0.367 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001000232031 745368663 /nfs/dbraw/zinc/36/86/63/745368663.db2.gz MKRGKUNXYVEQBB-CFVMTHIKSA-N 1 1 346.435 0.680 20 30 ECEDMO C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3[nH]nnc3C)C2)nn1 ZINC001098698707 745368725 /nfs/dbraw/zinc/36/87/25/745368725.db2.gz XKFAOAQURYFOQW-ZDUSSCGKSA-N 1 1 330.396 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001006949125 751997982 /nfs/dbraw/zinc/99/79/82/751997982.db2.gz IACDGEXVRNOGOM-HOCLYGCPSA-N 1 1 346.431 0.893 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001006949125 751997990 /nfs/dbraw/zinc/99/79/90/751997990.db2.gz IACDGEXVRNOGOM-HOCLYGCPSA-N 1 1 346.431 0.893 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000977805888 745526233 /nfs/dbraw/zinc/52/62/33/745526233.db2.gz UFJWOXMPBCSNLK-VHDGCEQUSA-N 1 1 343.431 0.899 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000983935879 745544999 /nfs/dbraw/zinc/54/49/99/745544999.db2.gz YIJOTAJOIAGDQA-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000983935879 745545003 /nfs/dbraw/zinc/54/50/03/745545003.db2.gz YIJOTAJOIAGDQA-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000983935879 745545007 /nfs/dbraw/zinc/54/50/07/745545007.db2.gz YIJOTAJOIAGDQA-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000983935879 745545009 /nfs/dbraw/zinc/54/50/09/745545009.db2.gz YIJOTAJOIAGDQA-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000983935879 745545013 /nfs/dbraw/zinc/54/50/13/745545013.db2.gz YIJOTAJOIAGDQA-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414650 745546829 /nfs/dbraw/zinc/54/68/29/745546829.db2.gz OFBFVMCCXSKOMD-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414650 745546834 /nfs/dbraw/zinc/54/68/34/745546834.db2.gz OFBFVMCCXSKOMD-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)c1 ZINC001027568461 745594186 /nfs/dbraw/zinc/59/41/86/745594186.db2.gz IWJOPJORKKQSFV-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccon4)[C@@H]3C2)C1=O ZINC000977866576 745600004 /nfs/dbraw/zinc/60/00/04/745600004.db2.gz QJXDFCZXZRZJDG-XPCVCDNBSA-N 1 1 330.388 0.369 20 30 ECEDMO CN(C(=O)C[N@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1)C1CC1 ZINC001000568107 745602645 /nfs/dbraw/zinc/60/26/45/745602645.db2.gz FUIVVWKAUJVCKE-UHFFFAOYSA-N 1 1 341.415 0.869 20 30 ECEDMO CN(C(=O)C[N@@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1)C1CC1 ZINC001000568107 745602648 /nfs/dbraw/zinc/60/26/48/745602648.db2.gz FUIVVWKAUJVCKE-UHFFFAOYSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC000983974306 745607943 /nfs/dbraw/zinc/60/79/43/745607943.db2.gz FLBFRPWHCFCVSF-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC000983974306 745607946 /nfs/dbraw/zinc/60/79/46/745607946.db2.gz FLBFRPWHCFCVSF-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cncs4)[C@@H]3C2)C1=O ZINC000977899444 745628560 /nfs/dbraw/zinc/62/85/60/745628560.db2.gz XTIVYXRBZWUDLW-FQUUOJAGSA-N 1 1 346.456 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1ncc[nH]1 ZINC000977921841 745651597 /nfs/dbraw/zinc/65/15/97/745651597.db2.gz VFUAUCWQCDBHID-CABCVRRESA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1ncc[nH]1 ZINC000977921841 745651599 /nfs/dbraw/zinc/65/15/99/745651599.db2.gz VFUAUCWQCDBHID-CABCVRRESA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccon1 ZINC000977931225 745687848 /nfs/dbraw/zinc/68/78/48/745687848.db2.gz UIOVTCVTXOHKNL-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccon1 ZINC000977931225 745687849 /nfs/dbraw/zinc/68/78/49/745687849.db2.gz UIOVTCVTXOHKNL-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccncc1 ZINC000977933467 745690955 /nfs/dbraw/zinc/69/09/55/745690955.db2.gz ZMNRQPUMPCGWKP-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccncc1 ZINC000977933467 745690957 /nfs/dbraw/zinc/69/09/57/745690957.db2.gz ZMNRQPUMPCGWKP-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc[nH]n3)[C@H]2CC)C1=O ZINC001087527853 745703879 /nfs/dbraw/zinc/70/38/79/745703879.db2.gz DZGDDNSMLPSICW-XHSDSOJGSA-N 1 1 345.447 0.708 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCN(C)C2=O)cn1 ZINC001028271127 752027031 /nfs/dbraw/zinc/02/70/31/752027031.db2.gz ZELYYBXSULJJLG-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCN(C)C2=O)cn1 ZINC001028271127 752027039 /nfs/dbraw/zinc/02/70/39/752027039.db2.gz ZELYYBXSULJJLG-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000984043280 745725617 /nfs/dbraw/zinc/72/56/17/745725617.db2.gz XYLNRFSGVQJXFH-CQSZACIVSA-N 1 1 340.387 0.915 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C#N)nc1 ZINC001126523634 745729018 /nfs/dbraw/zinc/72/90/18/745729018.db2.gz NDWGGDAOHLNRGP-WMLDXEAASA-N 1 1 345.447 0.720 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1cncc(C#N)n1 ZINC001126524685 745742492 /nfs/dbraw/zinc/74/24/92/745742492.db2.gz XOYKICOFSRDWML-UKRRQHHQSA-N 1 1 346.435 0.115 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075805176 745769194 /nfs/dbraw/zinc/76/91/94/745769194.db2.gz QQMATUJLBIAUHR-HZMVEIRTSA-N 1 1 345.447 0.792 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001000792343 745770635 /nfs/dbraw/zinc/77/06/35/745770635.db2.gz AEVGJKMYKXOSBH-INIZCTEOSA-N 1 1 338.415 0.515 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ocnc4C)[C@@H]3C2)C1=O ZINC000977994745 745775259 /nfs/dbraw/zinc/77/52/59/745775259.db2.gz LDDHBIZFTWKWGC-APIJFGDWSA-N 1 1 344.415 0.678 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)C3CC(OC)C3)CC2)C1=O ZINC001000817475 745795936 /nfs/dbraw/zinc/79/59/36/745795936.db2.gz WRWNBWAIAZPZLZ-OFLPRAFFSA-N 1 1 347.459 0.947 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)[nH]1 ZINC000978036265 745811231 /nfs/dbraw/zinc/81/12/31/745811231.db2.gz GTXPUKVVBRJWAV-ZSOGYDGISA-N 1 1 325.376 0.086 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC([C@@H]2[N@@H+](CC(N)=O)CC23CCC3)CC1 ZINC001105393717 745820118 /nfs/dbraw/zinc/82/01/18/745820118.db2.gz GIHBZWBMKJQRTE-PBHICJAKSA-N 1 1 347.459 0.603 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)N(C)C)nc1 ZINC001028271453 752035638 /nfs/dbraw/zinc/03/56/38/752035638.db2.gz GTKTWQZWYSOGHX-DZGCQCFKSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(C)C)nc1 ZINC001028271453 752035646 /nfs/dbraw/zinc/03/56/46/752035646.db2.gz GTKTWQZWYSOGHX-DZGCQCFKSA-N 1 1 328.416 0.734 20 30 ECEDMO Cn1cc(CC[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)cn1 ZINC000978031497 745832632 /nfs/dbraw/zinc/83/26/32/745832632.db2.gz ZWYBSGGAHFMVCV-OSYLJGHBSA-N 1 1 338.415 0.770 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC000978067808 745852201 /nfs/dbraw/zinc/85/22/01/745852201.db2.gz VYISLUPAIVSKNN-APIJFGDWSA-N 1 1 327.388 0.025 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001000928417 745907330 /nfs/dbraw/zinc/90/73/30/745907330.db2.gz WUZHBEQGBCAPDH-UHFFFAOYSA-N 1 1 344.415 0.275 20 30 ECEDMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)nn1 ZINC000978120532 745931079 /nfs/dbraw/zinc/93/10/79/745931079.db2.gz QFJUUTJBBLNOED-PHZGNYQRSA-N 1 1 336.399 0.795 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CCN1CCNC1=O ZINC001087545293 745937596 /nfs/dbraw/zinc/93/75/96/745937596.db2.gz BLLVDAWYYXMABP-DZGCQCFKSA-N 1 1 344.419 0.494 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC000984147164 745939456 /nfs/dbraw/zinc/93/94/56/745939456.db2.gz KXPCHLUHRWFXRA-MQMHXKEQSA-N 1 1 340.387 0.983 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@@H](C)COC)nc3C)[C@@H]2C1 ZINC000978138361 745953654 /nfs/dbraw/zinc/95/36/54/745953654.db2.gz APLKRXSMLQZURN-ZFZWDLNGSA-N 1 1 330.432 0.940 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cccc(C)n2)C1 ZINC001000987559 745953782 /nfs/dbraw/zinc/95/37/82/745953782.db2.gz WSOPGJSOVGRQNO-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cccc(C)n2)C1 ZINC001000987559 745953786 /nfs/dbraw/zinc/95/37/86/745953786.db2.gz WSOPGJSOVGRQNO-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN(C(=O)CC)C3)[C@@H]2C1 ZINC000978198441 746024962 /nfs/dbraw/zinc/02/49/62/746024962.db2.gz ZGLZPSCKUQDFHP-LUKYLMHMSA-N 1 1 331.460 0.952 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087572801 746074881 /nfs/dbraw/zinc/07/48/81/746074881.db2.gz HBDGZGAVRTWRGO-JKSUJKDBSA-N 1 1 339.403 0.714 20 30 ECEDMO O=C(NCC1=CC[N@H+](CC#Cc2ccccc2)CC1)[C@@H]1CNC(=O)N1 ZINC001001115618 746088739 /nfs/dbraw/zinc/08/87/39/746088739.db2.gz VVQIFCKTQGTVJD-KRWDZBQOSA-N 1 1 338.411 0.468 20 30 ECEDMO O=C(NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1)[C@@H]1CNC(=O)N1 ZINC001001115618 746088744 /nfs/dbraw/zinc/08/87/44/746088744.db2.gz VVQIFCKTQGTVJD-KRWDZBQOSA-N 1 1 338.411 0.468 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@@H+]([C@H](CC)C(N)=O)CC2)c1 ZINC001001129741 746099362 /nfs/dbraw/zinc/09/93/62/746099362.db2.gz VXUSIRJDNXMJFU-MRXNPFEDSA-N 1 1 326.400 0.689 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1CC ZINC001087628427 746130441 /nfs/dbraw/zinc/13/04/41/746130441.db2.gz UPPIRIGPBYCPGQ-QWHCGFSZSA-N 1 1 339.417 0.533 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001001171063 746133592 /nfs/dbraw/zinc/13/35/92/746133592.db2.gz IBBRQLBFZOMEJI-IMJJTQAJSA-N 1 1 335.448 0.803 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](CCN2CCCC2=O)CC1 ZINC001001172594 746134975 /nfs/dbraw/zinc/13/49/75/746134975.db2.gz ZHWCXANNTSVQMR-SJORKVTESA-N 1 1 347.459 0.948 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)OCC(=O)N4)[C@@H]2C1 ZINC000978302436 746172793 /nfs/dbraw/zinc/17/27/93/746172793.db2.gz QJPGVAYHHVUXAT-QKDCVEJESA-N 1 1 339.395 0.948 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1CC ZINC001087680100 746180457 /nfs/dbraw/zinc/18/04/57/746180457.db2.gz ZIOHSJVOQCQUDF-NWDGAFQWSA-N 1 1 330.396 0.463 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361037 752068179 /nfs/dbraw/zinc/06/81/79/752068179.db2.gz OHJPHUQRWGOZRG-AWEZNQCLSA-N 1 1 332.452 0.669 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361037 752068182 /nfs/dbraw/zinc/06/81/82/752068182.db2.gz OHJPHUQRWGOZRG-AWEZNQCLSA-N 1 1 332.452 0.669 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+](C[C@H]3CCOC3)CC2)nn1 ZINC001001241452 746200244 /nfs/dbraw/zinc/20/02/44/746200244.db2.gz MGARZZXJBRWULT-OAHLLOKOSA-N 1 1 331.420 0.863 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+](Cc3cnn(C)c3)CC2)nn1 ZINC001001243329 746202214 /nfs/dbraw/zinc/20/22/14/746202214.db2.gz YXNMMVWCOBUKIE-UHFFFAOYSA-N 1 1 341.419 0.760 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@H+]([C@@H](C)C(=O)NC)CC2)nn1 ZINC001001247957 746206990 /nfs/dbraw/zinc/20/69/90/746206990.db2.gz MXJYOJKUNYWXGL-ZDUSSCGKSA-N 1 1 346.435 0.351 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@@H+]([C@@H](C)C(=O)NC)CC2)nn1 ZINC001001247957 746206994 /nfs/dbraw/zinc/20/69/94/746206994.db2.gz MXJYOJKUNYWXGL-ZDUSSCGKSA-N 1 1 346.435 0.351 20 30 ECEDMO CC#CCN1CC=C(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001001253664 746211907 /nfs/dbraw/zinc/21/19/07/746211907.db2.gz ZMNNAWYRVJBIRV-UHFFFAOYSA-N 1 1 329.448 0.830 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]cc3F)[C@H]2CC)C1=O ZINC001087716001 746233128 /nfs/dbraw/zinc/23/31/28/746233128.db2.gz OLIYGCQQHCAJAT-BFHYXJOUSA-N 1 1 349.410 0.918 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3n[nH]cc3F)[C@H]2CC)C1=O ZINC001087716001 746233131 /nfs/dbraw/zinc/23/31/31/746233131.db2.gz OLIYGCQQHCAJAT-BFHYXJOUSA-N 1 1 349.410 0.918 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H]2CC)c1 ZINC001087718767 746234236 /nfs/dbraw/zinc/23/42/36/746234236.db2.gz IBGBGSZZZYLHEM-DLBZAZTESA-N 1 1 338.415 0.937 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)c1cn[nH]n1 ZINC000978395598 746276707 /nfs/dbraw/zinc/27/67/07/746276707.db2.gz QJSBIHQQDNHSEJ-PHZGNYQRSA-N 1 1 339.374 0.903 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)c1cnn[nH]1 ZINC000978395598 746276710 /nfs/dbraw/zinc/27/67/10/746276710.db2.gz QJSBIHQQDNHSEJ-PHZGNYQRSA-N 1 1 339.374 0.903 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)c1cnn[nH]1 ZINC000978395598 746276713 /nfs/dbraw/zinc/27/67/13/746276713.db2.gz QJSBIHQQDNHSEJ-PHZGNYQRSA-N 1 1 339.374 0.903 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCN(C)C(=O)C3)[C@@H]2C1 ZINC000978397040 746278561 /nfs/dbraw/zinc/27/85/61/746278561.db2.gz VKVMJPWXNZWVOT-XDQVBPFNSA-N 1 1 325.840 0.901 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC001001352696 746300142 /nfs/dbraw/zinc/30/01/42/746300142.db2.gz ZXEJYZJXLGFFRC-HNNXBMFYSA-N 1 1 329.404 0.625 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC001001366406 746313318 /nfs/dbraw/zinc/31/33/18/746313318.db2.gz LMSRJUJGCXKHLF-UHFFFAOYSA-N 1 1 325.372 0.820 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC000978423525 746323569 /nfs/dbraw/zinc/32/35/69/746323569.db2.gz JBOUAIHIECLIML-CNDDSTCGSA-N 1 1 339.417 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C(F)F)C1 ZINC000984349896 746331900 /nfs/dbraw/zinc/33/19/00/746331900.db2.gz JJEUFORRBNUFPY-OLZOCXBDSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C(F)F)C1 ZINC000984349896 746331904 /nfs/dbraw/zinc/33/19/04/746331904.db2.gz JJEUFORRBNUFPY-OLZOCXBDSA-N 1 1 327.375 0.799 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1CC ZINC001087789284 746335736 /nfs/dbraw/zinc/33/57/36/746335736.db2.gz INAZPSICIPWPRL-QWHCGFSZSA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1CC ZINC001087789284 746335742 /nfs/dbraw/zinc/33/57/42/746335742.db2.gz INAZPSICIPWPRL-QWHCGFSZSA-N 1 1 332.404 0.714 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001001419428 746358687 /nfs/dbraw/zinc/35/86/87/746358687.db2.gz UHBVPVQFBOTFBM-KRWDZBQOSA-N 1 1 335.448 0.948 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001462639 746402854 /nfs/dbraw/zinc/40/28/54/746402854.db2.gz HYVREXXZJIDLBQ-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3CC3CCC3)[C@@H]2C1 ZINC000978525469 746404661 /nfs/dbraw/zinc/40/46/61/746404661.db2.gz JSGNXRGJTCVGTJ-AKHDSKFASA-N 1 1 345.487 0.805 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@H]1CC ZINC001087828040 746431145 /nfs/dbraw/zinc/43/11/45/746431145.db2.gz XJLQDHRUDGIXDD-UONOGXRCSA-N 1 1 326.404 0.659 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)cc1F ZINC001041986495 782552118 /nfs/dbraw/zinc/55/21/18/782552118.db2.gz RBUQRPKVJJOZIY-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001059887722 752091053 /nfs/dbraw/zinc/09/10/53/752091053.db2.gz WWSBEVMCEXGTGH-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001515781 746453532 /nfs/dbraw/zinc/45/35/32/746453532.db2.gz QTJJZKNWVAHGII-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@H]2CC)C1=O ZINC001087847645 746490503 /nfs/dbraw/zinc/49/05/03/746490503.db2.gz KHGOLVBRZCKWIV-XHSDSOJGSA-N 1 1 345.447 0.639 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)cc1F ZINC001041986493 782552692 /nfs/dbraw/zinc/55/26/92/782552692.db2.gz RBUQRPKVJJOZIY-CJNGLKHVSA-N 1 1 344.390 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cocn2)C1 ZINC000978666907 746557885 /nfs/dbraw/zinc/55/78/85/746557885.db2.gz ZDFWXPWVFMTPBV-GUTXKFCHSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cocn2)C1 ZINC000978666907 746557888 /nfs/dbraw/zinc/55/78/88/746557888.db2.gz ZDFWXPWVFMTPBV-GUTXKFCHSA-N 1 1 330.388 0.397 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978674745 746571068 /nfs/dbraw/zinc/57/10/68/746571068.db2.gz OGFZFNDDCPQHLH-JONQDZQNSA-N 1 1 339.399 0.034 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]c4)C[C@@H]3C2)C1=O ZINC001087894743 746586382 /nfs/dbraw/zinc/58/63/82/746586382.db2.gz CNUSFIXKXPNVKU-VNQPRFMTSA-N 1 1 343.431 0.591 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978697935 746593042 /nfs/dbraw/zinc/59/30/42/746593042.db2.gz PHKBRKLJLZSNNU-RJZRQDKASA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978697971 746593737 /nfs/dbraw/zinc/59/37/37/746593737.db2.gz PPBJOFPUXJRAKO-KCQAQPDRSA-N 1 1 343.431 0.995 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nccn4C)C[C@H]32)c1 ZINC000978699213 746594716 /nfs/dbraw/zinc/59/47/16/746594716.db2.gz OGVKBXUODVKXFW-OSYLJGHBSA-N 1 1 335.411 0.904 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nccn4C)C[C@H]32)c1 ZINC000978699213 746594721 /nfs/dbraw/zinc/59/47/21/746594721.db2.gz OGVKBXUODVKXFW-OSYLJGHBSA-N 1 1 335.411 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)cn1 ZINC001027656608 746599256 /nfs/dbraw/zinc/59/92/56/746599256.db2.gz UVXOEPUTHMPSOG-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)cn1 ZINC001027656608 746599258 /nfs/dbraw/zinc/59/92/58/746599258.db2.gz UVXOEPUTHMPSOG-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 ZINC000978704691 746604915 /nfs/dbraw/zinc/60/49/15/746604915.db2.gz KXEAPNCAGRNGBC-LJIZCISZSA-N 1 1 335.448 0.492 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978730387 746642703 /nfs/dbraw/zinc/64/27/03/746642703.db2.gz DTGSXQYKJJLILH-NFAWXSAZSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(Br)C[NH+]1CCC(CNC(=O)c2nnn(C)n2)CC1 ZINC001001736802 746668170 /nfs/dbraw/zinc/66/81/70/746668170.db2.gz VVVPFEGJBYEPFQ-UHFFFAOYSA-N 1 1 343.229 0.561 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(F)cccc3NC(N)=O)[C@@H]2C1 ZINC000978771372 746690103 /nfs/dbraw/zinc/69/01/03/746690103.db2.gz NLVSJTNBETWQHC-CNDDSTCGSA-N 1 1 330.363 0.857 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940141 746694132 /nfs/dbraw/zinc/69/41/32/746694132.db2.gz VLFKIMYDZZNBOG-SCRDCRAPSA-N 1 1 329.404 0.415 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)C3CC3)[C@@H]2C1 ZINC000978802455 746722771 /nfs/dbraw/zinc/72/27/71/746722771.db2.gz FDVWNKZAESPHKX-NXOAAHMSSA-N 1 1 329.444 0.705 20 30 ECEDMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)n1 ZINC000978870144 746803533 /nfs/dbraw/zinc/80/35/33/746803533.db2.gz YFDXZKXZPRJDQI-OSYLJGHBSA-N 1 1 335.411 0.774 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000978868520 746819471 /nfs/dbraw/zinc/81/94/71/746819471.db2.gz BDFMGDKQXDQPKD-DBHDPKECSA-N 1 1 349.475 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccccn2)C1 ZINC000978954397 746949495 /nfs/dbraw/zinc/94/94/95/746949495.db2.gz SSNWXCCHUZAPNU-UXLLHSPISA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccccn2)C1 ZINC000978954397 746949504 /nfs/dbraw/zinc/94/95/04/746949504.db2.gz SSNWXCCHUZAPNU-UXLLHSPISA-N 1 1 340.427 0.804 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)nc1 ZINC001059445998 746977577 /nfs/dbraw/zinc/97/75/77/746977577.db2.gz HRVTVJWWJDRJLX-YHUYYLMFSA-N 1 1 341.415 0.876 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C(=O)NC)n3)[C@@H]2C1 ZINC000979008054 747038731 /nfs/dbraw/zinc/03/87/31/747038731.db2.gz PVSLHZQYHYZXLF-ZSOGYDGISA-N 1 1 326.400 0.372 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(C)cc(OC)n2)C1 ZINC001059455765 747071989 /nfs/dbraw/zinc/07/19/89/747071989.db2.gz BVLSKICTQOMFLB-KKUMJFAQSA-N 1 1 343.431 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(C)cc(OC)n2)C1 ZINC001059455765 747071995 /nfs/dbraw/zinc/07/19/95/747071995.db2.gz BVLSKICTQOMFLB-KKUMJFAQSA-N 1 1 343.431 0.950 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(CNC(N)=O)cc3)[C@@H]2C1 ZINC000979047640 747115146 /nfs/dbraw/zinc/11/51/46/747115146.db2.gz NWODEJLZASQNJJ-PHZGNYQRSA-N 1 1 326.400 0.396 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC001002260482 747136286 /nfs/dbraw/zinc/13/62/86/747136286.db2.gz PJQXEUPHMUSATR-GOEBONIOSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(C)no3)CC2)C1=O ZINC001002335404 747226552 /nfs/dbraw/zinc/22/65/52/747226552.db2.gz SAVTYBOTUXYHNJ-AWEZNQCLSA-N 1 1 332.404 0.964 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001002395856 747291592 /nfs/dbraw/zinc/29/15/92/747291592.db2.gz LICWRYQEPDTQLB-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@H](OC)C1 ZINC001211891174 747349720 /nfs/dbraw/zinc/34/97/20/747349720.db2.gz GLDLPQAJBBYLIY-OAGGEKHMSA-N 1 1 326.437 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C3=CCOCC3)C2)C1=O ZINC001007189239 752174868 /nfs/dbraw/zinc/17/48/68/752174868.db2.gz LFYQDPBTHBYMKO-HZPDHXFCSA-N 1 1 333.432 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)C3=CCOCC3)C2)C1=O ZINC001007189239 752174875 /nfs/dbraw/zinc/17/48/75/752174875.db2.gz LFYQDPBTHBYMKO-HZPDHXFCSA-N 1 1 333.432 0.701 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@H]2C1 ZINC001088105032 747394397 /nfs/dbraw/zinc/39/43/97/747394397.db2.gz OSOPFCNSQSEVCU-FXUDXRNXSA-N 1 1 335.448 0.589 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC001002488261 747423728 /nfs/dbraw/zinc/42/37/28/747423728.db2.gz LUZLTLZPHBMRGS-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC001002488261 747423733 /nfs/dbraw/zinc/42/37/33/747423733.db2.gz LUZLTLZPHBMRGS-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNCc3cn(C)nn3)C2)CC1 ZINC000985155369 747480694 /nfs/dbraw/zinc/48/06/94/747480694.db2.gz YHPHYMUMQTWCPN-KOMQPUFPSA-N 1 1 344.463 0.145 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cnon4)C[C@@H]3C2)C1=O ZINC001088145833 747508904 /nfs/dbraw/zinc/50/89/04/747508904.db2.gz YGXXZPYMZFFDDZ-IPYPFGDCSA-N 1 1 345.403 0.250 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2C#N)C1 ZINC001059498578 747531639 /nfs/dbraw/zinc/53/16/39/747531639.db2.gz KYZUIUDXARXZRG-AVOUXACISA-N 1 1 340.431 0.916 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)Cc3cc(C)n[nH]3)CC2)C1=O ZINC001002583884 747535464 /nfs/dbraw/zinc/53/54/64/747535464.db2.gz ICLZFUBLZXLMTG-INIZCTEOSA-N 1 1 345.447 0.628 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979311087 747604365 /nfs/dbraw/zinc/60/43/65/747604365.db2.gz MILSAKZMCFAFPU-CAVOSLQRSA-N 1 1 343.431 0.709 20 30 ECEDMO Cc1ccnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979325397 747616140 /nfs/dbraw/zinc/61/61/40/747616140.db2.gz BLOVLGKUUKFWTK-GOEBONIOSA-N 1 1 328.416 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](CC)C(N)=O)CC[C@@H]3C2)nc1 ZINC001088175149 747677486 /nfs/dbraw/zinc/67/74/86/747677486.db2.gz HIDBFGPDVXUVNY-HLLBOEOZSA-N 1 1 340.427 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000979355004 747681672 /nfs/dbraw/zinc/68/16/72/747681672.db2.gz JLPVHKBNKKBBFQ-UHDSXZAQSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000979355004 747681676 /nfs/dbraw/zinc/68/16/76/747681676.db2.gz JLPVHKBNKKBBFQ-UHDSXZAQSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC000979374973 747701934 /nfs/dbraw/zinc/70/19/34/747701934.db2.gz SXPKTUVMHFIPPS-FZKCQIBNSA-N 1 1 329.444 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC000979374973 747701937 /nfs/dbraw/zinc/70/19/37/747701937.db2.gz SXPKTUVMHFIPPS-FZKCQIBNSA-N 1 1 329.444 0.895 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@@H]2C1 ZINC001088187312 747704966 /nfs/dbraw/zinc/70/49/66/747704966.db2.gz QATLFAOXRGBMCD-SQNIBIBYSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCOC1 ZINC000936605338 747732709 /nfs/dbraw/zinc/73/27/09/747732709.db2.gz COEYDRBXWCPHRA-QZWWFDLISA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCOC1 ZINC000936605338 747732711 /nfs/dbraw/zinc/73/27/11/747732711.db2.gz COEYDRBXWCPHRA-QZWWFDLISA-N 1 1 345.443 0.322 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3ccnn3C)C2)C1=O ZINC001007227332 752207206 /nfs/dbraw/zinc/20/72/06/752207206.db2.gz OVWFUGVDUCRKNQ-GDBMZVCRSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ccnn3C)C2)C1=O ZINC001007227332 752207210 /nfs/dbraw/zinc/20/72/10/752207210.db2.gz OVWFUGVDUCRKNQ-GDBMZVCRSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)Cc3ccon3)CC2)C1=O ZINC000985344949 747755053 /nfs/dbraw/zinc/75/50/53/747755053.db2.gz GPEXYWDLCVGHSU-INIZCTEOSA-N 1 1 346.431 0.927 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001088233299 747790109 /nfs/dbraw/zinc/79/01/09/747790109.db2.gz MMAJSQRXIQOXDG-INIZCTEOSA-N 1 1 345.447 0.782 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC001088231293 747791435 /nfs/dbraw/zinc/79/14/35/747791435.db2.gz NTHPWYBRSYCEOL-SFHVURJKSA-N 1 1 349.475 0.281 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)C1 ZINC001002791627 747791751 /nfs/dbraw/zinc/79/17/51/747791751.db2.gz QNFSELKHWJFYJV-KQTLUZQSSA-N 1 1 341.415 0.700 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001088235468 747817820 /nfs/dbraw/zinc/81/78/20/747817820.db2.gz SHLVSIZHLDJERR-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001088237355 747837056 /nfs/dbraw/zinc/83/70/56/747837056.db2.gz QXFZULDXOFKKNR-HNNXBMFYSA-N 1 1 346.435 0.177 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](OCC2CCN(C(=O)C(N)=O)CC2)C1 ZINC001088237382 747837080 /nfs/dbraw/zinc/83/70/80/747837080.db2.gz SCFUJLYFFBLSEZ-ZDUSSCGKSA-N 1 1 329.828 0.554 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](OCC2CCN(C(=O)C(N)=O)CC2)C1 ZINC001088237382 747837085 /nfs/dbraw/zinc/83/70/85/747837085.db2.gz SCFUJLYFFBLSEZ-ZDUSSCGKSA-N 1 1 329.828 0.554 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)sn2)C1 ZINC001002829448 747844575 /nfs/dbraw/zinc/84/45/75/747844575.db2.gz LTSQESAKAYRGQA-HNNXBMFYSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)sn2)C1 ZINC001002829448 747844584 /nfs/dbraw/zinc/84/45/84/747844584.db2.gz LTSQESAKAYRGQA-HNNXBMFYSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C)n2)C1 ZINC001002830900 747848855 /nfs/dbraw/zinc/84/88/55/747848855.db2.gz XXAKXOHDOJFBQQ-HNNXBMFYSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C)n2)C1 ZINC001002830900 747848863 /nfs/dbraw/zinc/84/88/63/747848863.db2.gz XXAKXOHDOJFBQQ-HNNXBMFYSA-N 1 1 329.404 0.004 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001002850666 747874976 /nfs/dbraw/zinc/87/49/76/747874976.db2.gz AMRAZAFPLURYFB-DJIMGWMZSA-N 1 1 348.491 0.694 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001002850666 747874985 /nfs/dbraw/zinc/87/49/85/747874985.db2.gz AMRAZAFPLURYFB-DJIMGWMZSA-N 1 1 348.491 0.694 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001002850666 747874994 /nfs/dbraw/zinc/87/49/94/747874994.db2.gz AMRAZAFPLURYFB-DJIMGWMZSA-N 1 1 348.491 0.694 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)CC(C)(C)O)CC2)C1=O ZINC000985406738 747921527 /nfs/dbraw/zinc/92/15/27/747921527.db2.gz OYDGDSNEEPEXMI-OAHLLOKOSA-N 1 1 337.464 0.857 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027814052 747989861 /nfs/dbraw/zinc/98/98/61/747989861.db2.gz GKRSZBHPGXEZHP-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027814052 747989865 /nfs/dbraw/zinc/98/98/65/747989865.db2.gz GKRSZBHPGXEZHP-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cnsn3)C2)C1=O ZINC001029658565 747992080 /nfs/dbraw/zinc/99/20/80/747992080.db2.gz GKELMAYBLGBTRI-JSGCOSHPSA-N 1 1 349.460 0.719 20 30 ECEDMO CN1CCC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001029707636 748109485 /nfs/dbraw/zinc/10/94/85/748109485.db2.gz CNHKBBNUQZKPSF-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CN=NC3=O)C[C@@H]2C1 ZINC000979621993 748114364 /nfs/dbraw/zinc/11/43/64/748114364.db2.gz VRTPEDBNQLPOQI-XQQFMLRXSA-N 1 1 339.827 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN([C@H](C)c2nnc(C)[nH]2)CC1 ZINC001003054886 748122467 /nfs/dbraw/zinc/12/24/67/748122467.db2.gz CAQWBRADSKABPC-CJNGLKHVSA-N 1 1 344.463 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN([C@H](C)c2nnc(C)[nH]2)CC1 ZINC001003054886 748122475 /nfs/dbraw/zinc/12/24/75/748122475.db2.gz CAQWBRADSKABPC-CJNGLKHVSA-N 1 1 344.463 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cnsn2)CC1 ZINC001003056205 748124365 /nfs/dbraw/zinc/12/43/65/748124365.db2.gz NBTKXPYPPQNVNZ-HNNXBMFYSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cnsn2)CC1 ZINC001003056205 748124367 /nfs/dbraw/zinc/12/43/67/748124367.db2.gz NBTKXPYPPQNVNZ-HNNXBMFYSA-N 1 1 333.461 0.716 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3nnc(C)o3)C2)C1=O ZINC001007270041 752241684 /nfs/dbraw/zinc/24/16/84/752241684.db2.gz XEMKVDXCNZVKAU-UONOGXRCSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3nnc(C)o3)C2)C1=O ZINC001007270041 752241690 /nfs/dbraw/zinc/24/16/90/752241690.db2.gz XEMKVDXCNZVKAU-UONOGXRCSA-N 1 1 347.419 0.288 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001075855640 748161426 /nfs/dbraw/zinc/16/14/26/748161426.db2.gz MWGDJWBOVVBVAU-HRCADAONSA-N 1 1 333.432 0.037 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3n[nH]cc3C)C2)C1=O ZINC001029735064 748178661 /nfs/dbraw/zinc/17/86/61/748178661.db2.gz CDZPJQWERTWGCC-LSDHHAIUSA-N 1 1 345.447 0.899 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001027825566 748199423 /nfs/dbraw/zinc/19/94/23/748199423.db2.gz BYZOFGJRAFFOSA-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2cnon2)C1 ZINC001029758225 748270745 /nfs/dbraw/zinc/27/07/45/748270745.db2.gz VRLIJODBKDXOCF-ZBFHGGJFSA-N 1 1 331.420 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2cnon2)C1 ZINC001029758225 748270750 /nfs/dbraw/zinc/27/07/50/748270750.db2.gz VRLIJODBKDXOCF-ZBFHGGJFSA-N 1 1 331.420 0.448 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027831591 748283240 /nfs/dbraw/zinc/28/32/40/748283240.db2.gz RWTSYRRZCLLQAH-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000985506835 748346171 /nfs/dbraw/zinc/34/61/71/748346171.db2.gz UWBNCSXKMQEBRF-UHFFFAOYSA-N 1 1 342.871 0.436 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC000979795624 748411331 /nfs/dbraw/zinc/41/13/31/748411331.db2.gz KECNHNSGPIKEKO-JYJNAYRXSA-N 1 1 333.432 0.085 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC000979797191 748413413 /nfs/dbraw/zinc/41/34/13/748413413.db2.gz PBLRXDWJXSZQQU-JYJNAYRXSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cnc4n3CCOC4)C[C@@H]2C1 ZINC000979799143 748415597 /nfs/dbraw/zinc/41/55/97/748415597.db2.gz YJSHWNFOIJDQJT-ZNMIVQPWSA-N 1 1 328.416 0.877 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3csnn3)C2)C1=O ZINC001029795210 748446904 /nfs/dbraw/zinc/44/69/04/748446904.db2.gz PPDUIPDMLBJRCI-TZMCWYRMSA-N 1 1 349.460 0.719 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)C2=CCOCC2)C1=O ZINC001027841270 748452098 /nfs/dbraw/zinc/45/20/98/748452098.db2.gz ZXZJRXNYGLKCHF-CVEARBPZSA-N 1 1 333.432 0.701 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001029798857 748461599 /nfs/dbraw/zinc/46/15/99/748461599.db2.gz OHHSFDUARYTSDE-ZDUSSCGKSA-N 1 1 335.452 0.991 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001038477251 752279324 /nfs/dbraw/zinc/27/93/24/752279324.db2.gz MGIXTMFNCOIYHH-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO Cn1nnc(C(=O)NC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC001003447523 748564528 /nfs/dbraw/zinc/56/45/28/748564528.db2.gz UMGQUAGAHMYOMM-UHFFFAOYSA-N 1 1 343.366 0.615 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC001003468922 748586700 /nfs/dbraw/zinc/58/67/00/748586700.db2.gz YMPUPTOVHKLUBZ-BBRMVZONSA-N 1 1 340.427 0.449 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059587140 748617332 /nfs/dbraw/zinc/61/73/32/748617332.db2.gz IJLUYSCCVWGHRC-MBNYWOFBSA-N 1 1 333.367 0.482 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059587140 748617338 /nfs/dbraw/zinc/61/73/38/748617338.db2.gz IJLUYSCCVWGHRC-MBNYWOFBSA-N 1 1 333.367 0.482 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCCNC3=O)C2)c1 ZINC001029835024 748667895 /nfs/dbraw/zinc/66/78/95/748667895.db2.gz KUUREZATUIMQLM-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(Br)C[N@@H+](C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985608369 748737450 /nfs/dbraw/zinc/73/74/50/748737450.db2.gz QOCOLAYNVBMKJE-LLVKDONJSA-N 1 1 345.241 0.499 20 30 ECEDMO C=C(Br)C[N@H+](C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985608369 748737456 /nfs/dbraw/zinc/73/74/56/748737456.db2.gz QOCOLAYNVBMKJE-LLVKDONJSA-N 1 1 345.241 0.499 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1=O ZINC001003626107 748739629 /nfs/dbraw/zinc/73/96/29/748739629.db2.gz MGDUHDFJPWNKKO-DOTOQJQBSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1=O ZINC001003626107 748739634 /nfs/dbraw/zinc/73/96/34/748739634.db2.gz MGDUHDFJPWNKKO-DOTOQJQBSA-N 1 1 348.491 0.696 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000979967552 748760029 /nfs/dbraw/zinc/76/00/29/748760029.db2.gz MTBHKAXXYZPCJT-YDHLFZDLSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000979967552 748760031 /nfs/dbraw/zinc/76/00/31/748760031.db2.gz MTBHKAXXYZPCJT-YDHLFZDLSA-N 1 1 329.404 0.132 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cnnn2CC)CC1 ZINC001003649847 748762712 /nfs/dbraw/zinc/76/27/12/748762712.db2.gz MSOUTJNTYZNERD-CVEARBPZSA-N 1 1 333.436 0.970 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000979969193 748762895 /nfs/dbraw/zinc/76/28/95/748762895.db2.gz YQOAUPOWITUPKF-FPCVCCKLSA-N 1 1 329.444 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000979969193 748762896 /nfs/dbraw/zinc/76/28/96/748762896.db2.gz YQOAUPOWITUPKF-FPCVCCKLSA-N 1 1 329.444 0.895 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[C@@H]1C ZINC001003677701 748786789 /nfs/dbraw/zinc/78/67/89/748786789.db2.gz ZCORDAVOIFBHPR-NEXGVSGLSA-N 1 1 329.444 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[C@@H]1C ZINC001003677701 748786793 /nfs/dbraw/zinc/78/67/93/748786793.db2.gz ZCORDAVOIFBHPR-NEXGVSGLSA-N 1 1 329.444 0.988 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985666454 748838748 /nfs/dbraw/zinc/83/87/48/748838748.db2.gz JQWJGFQGVODRDX-PMPSAXMXSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)C[C@H]3CCOC3)C2)nn1 ZINC001029859487 748950058 /nfs/dbraw/zinc/95/00/58/748950058.db2.gz DEWBFLCOSHTMNV-LSDHHAIUSA-N 1 1 333.436 0.895 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCCNC3=O)C[C@@H]2C1 ZINC000980141137 749053133 /nfs/dbraw/zinc/05/31/33/749053133.db2.gz MFRNMGVDJYKGNW-ARFHVFGLSA-N 1 1 332.448 0.642 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)cn3)C[C@H]2C1 ZINC000980167771 749102259 /nfs/dbraw/zinc/10/22/59/749102259.db2.gz QQWIEKKGHSXNNF-SOUVJXGZSA-N 1 1 328.416 0.634 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCCNc2cnc(C#N)cn2)C1 ZINC001114946242 749135944 /nfs/dbraw/zinc/13/59/44/749135944.db2.gz GOEHSFIZSRVLGJ-ZFWWWQNUSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCCNc2cnc(C#N)cn2)C1 ZINC001114946242 749135950 /nfs/dbraw/zinc/13/59/50/749135950.db2.gz GOEHSFIZSRVLGJ-ZFWWWQNUSA-N 1 1 346.435 0.766 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@@H]3C2)s1 ZINC000980189131 749143980 /nfs/dbraw/zinc/14/39/80/749143980.db2.gz ZLNUCGVCLSESII-QJPTWQEYSA-N 1 1 332.429 0.822 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC000980205558 749181293 /nfs/dbraw/zinc/18/12/93/749181293.db2.gz DVYABVFRDKUNRN-MELADBBJSA-N 1 1 334.420 0.283 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C(=O)NC)nc3)C[C@@H]2C1 ZINC000980206258 749182823 /nfs/dbraw/zinc/18/28/23/749182823.db2.gz GRCNUTPVCLTQHD-ARFHVFGLSA-N 1 1 340.427 0.905 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)ccc3=O)C[C@@H]2C1 ZINC000980211269 749190825 /nfs/dbraw/zinc/19/08/25/749190825.db2.gz GHYCHOMGTMMJJD-ARFHVFGLSA-N 1 1 328.416 0.402 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)ccc3=O)C[C@H]2C1 ZINC000980211783 749190997 /nfs/dbraw/zinc/19/09/97/749190997.db2.gz HQTFWQGXMJMLLB-HRCADAONSA-N 1 1 330.432 0.954 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)ccc3=O)C[C@H]2C1 ZINC000980214841 749208848 /nfs/dbraw/zinc/20/88/48/749208848.db2.gz NQVDJYIUNBHQCV-ULQDDVLXSA-N 1 1 342.443 0.792 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cnon3)C2)C1=O ZINC001029870467 749224220 /nfs/dbraw/zinc/22/42/20/749224220.db2.gz UBMMPNAPTOPNGT-GXTWGEPZSA-N 1 1 333.392 0.250 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(=O)n(C)n3)C[C@H]2C1 ZINC000980236491 749237263 /nfs/dbraw/zinc/23/72/63/749237263.db2.gz NCMSKGIHVYQDIJ-SOUVJXGZSA-N 1 1 328.416 0.634 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)C[C@H]2C1 ZINC000980241212 749245634 /nfs/dbraw/zinc/24/56/34/749245634.db2.gz IORGMFWNENMGEK-AEGPPILISA-N 1 1 328.416 0.967 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980258583 749266078 /nfs/dbraw/zinc/26/60/78/749266078.db2.gz ZEYNJWOMCMNDOA-XQQFMLRXSA-N 1 1 332.404 0.502 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001004177064 749286430 /nfs/dbraw/zinc/28/64/30/749286430.db2.gz RSICKFQNYXSZRN-AWEZNQCLSA-N 1 1 329.828 0.567 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001004350580 749417496 /nfs/dbraw/zinc/41/74/96/749417496.db2.gz LLKAUIRIAIHGDR-HNNXBMFYSA-N 1 1 326.462 0.757 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)nc1 ZINC001029889749 749442941 /nfs/dbraw/zinc/44/29/41/749442941.db2.gz OCRSFFXQTUJIIR-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001004459866 749527253 /nfs/dbraw/zinc/52/72/53/749527253.db2.gz XGWWCEXNSKFBHY-GJZGRUSLSA-N 1 1 348.447 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3cccn3)[C@H]2C)C1=O ZINC001088470700 749546337 /nfs/dbraw/zinc/54/63/37/749546337.db2.gz XQZXSHOIARXEJH-QLFBSQMISA-N 1 1 331.420 0.249 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cccn3)[C@H]2C)C1=O ZINC001088470700 749546342 /nfs/dbraw/zinc/54/63/42/749546342.db2.gz XQZXSHOIARXEJH-QLFBSQMISA-N 1 1 331.420 0.249 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCCN2C(C)=O)C1 ZINC000980440947 749598714 /nfs/dbraw/zinc/59/87/14/749598714.db2.gz SQLNOAZKMWSTSR-UONOGXRCSA-N 1 1 329.828 0.519 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COCCN2C(C)=O)C1 ZINC000980440947 749598716 /nfs/dbraw/zinc/59/87/16/749598716.db2.gz SQLNOAZKMWSTSR-UONOGXRCSA-N 1 1 329.828 0.519 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1C ZINC000986135965 749607486 /nfs/dbraw/zinc/60/74/86/749607486.db2.gz RBGCJPLWVDQCQG-WCQYABFASA-N 1 1 341.419 0.970 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000986166517 749625728 /nfs/dbraw/zinc/62/57/28/749625728.db2.gz JIVVUXLYHFXOPN-WCQYABFASA-N 1 1 342.407 0.676 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C)ncn1 ZINC001027942277 749665092 /nfs/dbraw/zinc/66/50/92/749665092.db2.gz BFVVBGFDEWSVIP-ROUUACIJSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C)ncn1 ZINC001027942277 749665101 /nfs/dbraw/zinc/66/51/01/749665101.db2.gz BFVVBGFDEWSVIP-ROUUACIJSA-N 1 1 341.459 0.963 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCCN3CC#N)CC2)C1 ZINC001004615543 749690304 /nfs/dbraw/zinc/69/03/04/749690304.db2.gz HPFSLNIENUQXIB-DLBZAZTESA-N 1 1 334.464 0.934 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC([C@@H]3CCCN3CC#N)CC2)C1 ZINC001004615543 749690308 /nfs/dbraw/zinc/69/03/08/749690308.db2.gz HPFSLNIENUQXIB-DLBZAZTESA-N 1 1 334.464 0.934 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058848588 750160280 /nfs/dbraw/zinc/16/02/80/750160280.db2.gz HNEMPSWOXNWMTP-KGLIPLIRSA-N 1 1 325.453 0.333 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNCc3cnon3)C[C@H]2C)CC1 ZINC000980816754 750212760 /nfs/dbraw/zinc/21/27/60/750212760.db2.gz VTUGOCQMHWZOBN-HUUCEWRRSA-N 1 1 345.447 0.741 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059738471 750280594 /nfs/dbraw/zinc/28/05/94/750280594.db2.gz WYMPPHQPXYFFQN-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059738471 750280600 /nfs/dbraw/zinc/28/06/00/750280600.db2.gz WYMPPHQPXYFFQN-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059738472 750280823 /nfs/dbraw/zinc/28/08/23/750280823.db2.gz WYMPPHQPXYFFQN-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059738472 750280831 /nfs/dbraw/zinc/28/08/31/750280831.db2.gz WYMPPHQPXYFFQN-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC001005199958 750363496 /nfs/dbraw/zinc/36/34/96/750363496.db2.gz AVFDFFHGUXCBPC-MRXNPFEDSA-N 1 1 345.447 0.662 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC000991604217 762037284 /nfs/dbraw/zinc/03/72/84/762037284.db2.gz AXXPORKOSBGNEM-LSDHHAIUSA-N 1 1 348.447 0.872 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCNC1=O ZINC001028072663 750485668 /nfs/dbraw/zinc/48/56/68/750485668.db2.gz MTDMRSFJXWOXTA-IAGOWNOFSA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCNC1=O ZINC001028072663 750485669 /nfs/dbraw/zinc/48/56/69/750485669.db2.gz MTDMRSFJXWOXTA-IAGOWNOFSA-N 1 1 325.412 0.755 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2c(C)cnn2C)C1=O ZINC001028083138 750594350 /nfs/dbraw/zinc/59/43/50/750594350.db2.gz QBPQOLFXJAVSKD-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c(C)cnn2C)C1=O ZINC001028083138 750594355 /nfs/dbraw/zinc/59/43/55/750594355.db2.gz QBPQOLFXJAVSKD-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnc(C)nc2)CC1 ZINC000981365693 750628141 /nfs/dbraw/zinc/62/81/41/750628141.db2.gz VXWJCFFEHMDTJC-SFHVURJKSA-N 1 1 341.459 0.917 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnc(C)nc2)CC1 ZINC000981365693 750628146 /nfs/dbraw/zinc/62/81/46/750628146.db2.gz VXWJCFFEHMDTJC-SFHVURJKSA-N 1 1 341.459 0.917 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088550208 750640168 /nfs/dbraw/zinc/64/01/68/750640168.db2.gz ROPKQZJSORHKJS-ONERCXAPSA-N 1 1 346.362 0.885 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088550208 750640171 /nfs/dbraw/zinc/64/01/71/750640171.db2.gz ROPKQZJSORHKJS-ONERCXAPSA-N 1 1 346.362 0.885 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CCCO2)C1 ZINC001005928740 750811899 /nfs/dbraw/zinc/81/18/99/750811899.db2.gz KQBYOJGWOVCGDL-KBMXLJTQSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CCCO2)C1 ZINC001005928740 750811902 /nfs/dbraw/zinc/81/19/02/750811902.db2.gz KQBYOJGWOVCGDL-KBMXLJTQSA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000987447703 750848182 /nfs/dbraw/zinc/84/81/82/750848182.db2.gz DXKLNKBXOLINMB-UGFHNGPFSA-N 1 1 329.404 0.700 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)ccc1F ZINC001028109345 750912071 /nfs/dbraw/zinc/91/20/71/750912071.db2.gz HDENSLCVVNIXQZ-UKRRQHHQSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)ccc1F ZINC001028109345 750912076 /nfs/dbraw/zinc/91/20/76/750912076.db2.gz HDENSLCVVNIXQZ-UKRRQHHQSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CN(C(=O)CC(N)=O)C3)C2)s1 ZINC000981679354 750963619 /nfs/dbraw/zinc/96/36/19/750963619.db2.gz PBSKLAOWBBVNEP-UHFFFAOYSA-N 1 1 332.429 0.920 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000981722294 751014043 /nfs/dbraw/zinc/01/40/43/751014043.db2.gz OPWICHLANINWAH-CYBMUJFWSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000987631360 751030254 /nfs/dbraw/zinc/03/02/54/751030254.db2.gz BQVHMZMPACSTHJ-ZLDLUXBVSA-N 1 1 329.404 0.700 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3c(C)cnn3C)CC2)C1=O ZINC000981786024 751098524 /nfs/dbraw/zinc/09/85/24/751098524.db2.gz CPNIXCTYQIALTC-OAHLLOKOSA-N 1 1 345.447 0.663 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3c(C)cnn3C)CC2)C1=O ZINC000981786024 751098530 /nfs/dbraw/zinc/09/85/30/751098530.db2.gz CPNIXCTYQIALTC-OAHLLOKOSA-N 1 1 345.447 0.663 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)c1 ZINC001028127587 751143205 /nfs/dbraw/zinc/14/32/05/751143205.db2.gz WDXXSINMVCYJJD-GJZGRUSLSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)c1 ZINC001028127587 751143206 /nfs/dbraw/zinc/14/32/06/751143206.db2.gz WDXXSINMVCYJJD-GJZGRUSLSA-N 1 1 340.383 0.062 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC000987786419 751200890 /nfs/dbraw/zinc/20/08/90/751200890.db2.gz BASJUHYHEUWGAF-HOCLYGCPSA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC000987786419 751200895 /nfs/dbraw/zinc/20/08/95/751200895.db2.gz BASJUHYHEUWGAF-HOCLYGCPSA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C2CCOCC2)C1 ZINC001006312405 751230104 /nfs/dbraw/zinc/23/01/04/751230104.db2.gz DOWKEOGHBBNNTO-PBHICJAKSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C2CCOCC2)C1 ZINC001006312405 751230109 /nfs/dbraw/zinc/23/01/09/751230109.db2.gz DOWKEOGHBBNNTO-PBHICJAKSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2cnoc2)C1 ZINC001006313870 751233294 /nfs/dbraw/zinc/23/32/94/751233294.db2.gz IIJPPNDVTBBMQB-CJNGLKHVSA-N 1 1 344.415 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2cnoc2)C1 ZINC001006313870 751233298 /nfs/dbraw/zinc/23/32/98/751233298.db2.gz IIJPPNDVTBBMQB-CJNGLKHVSA-N 1 1 344.415 0.278 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cncs2)C1 ZINC001006323808 751245704 /nfs/dbraw/zinc/24/57/04/751245704.db2.gz ZTKSXIAIGFKPAB-OCCSQVGLSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cncs2)C1 ZINC001006323808 751245706 /nfs/dbraw/zinc/24/57/06/751245706.db2.gz ZTKSXIAIGFKPAB-OCCSQVGLSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2n[nH]cc2C)C1 ZINC001006323630 751245851 /nfs/dbraw/zinc/24/58/51/751245851.db2.gz YHRVSZYPZGTJME-ZFWWWQNUSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2n[nH]cc2C)C1 ZINC001006323630 751245855 /nfs/dbraw/zinc/24/58/55/751245855.db2.gz YHRVSZYPZGTJME-ZFWWWQNUSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cnc4c(c3)nnn4C)C2)C1 ZINC000981900011 751257574 /nfs/dbraw/zinc/25/75/74/751257574.db2.gz UQXYDEZFPVUDBK-UHFFFAOYSA-N 1 1 338.415 0.925 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)c1 ZINC000981923076 751270147 /nfs/dbraw/zinc/27/01/47/751270147.db2.gz HZGUYGIIJRRWBS-UHFFFAOYSA-N 1 1 341.415 0.236 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)c1 ZINC000981923076 751270150 /nfs/dbraw/zinc/27/01/50/751270150.db2.gz HZGUYGIIJRRWBS-UHFFFAOYSA-N 1 1 341.415 0.236 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001006368527 751297476 /nfs/dbraw/zinc/29/74/76/751297476.db2.gz HQRBKFLPBQQAJM-LRDDRELGSA-N 1 1 343.431 0.947 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001058906048 751309536 /nfs/dbraw/zinc/30/95/36/751309536.db2.gz QJODPQGHULQLOK-ZDUSSCGKSA-N 1 1 325.376 0.875 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087436072 751319332 /nfs/dbraw/zinc/31/93/32/751319332.db2.gz VXBFBTUPBRVQLH-BRWVUGGUSA-N 1 1 340.427 0.665 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)Cn3nccn3)C2)s1 ZINC001007423654 752371193 /nfs/dbraw/zinc/37/11/93/752371193.db2.gz JKFYMRTUOLLAKE-LBPRGKRZSA-N 1 1 330.417 0.992 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3nccn3)C2)s1 ZINC001007423654 752371197 /nfs/dbraw/zinc/37/11/97/752371197.db2.gz JKFYMRTUOLLAKE-LBPRGKRZSA-N 1 1 330.417 0.992 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ncc(C#N)cc1F ZINC001126355350 752383197 /nfs/dbraw/zinc/38/31/97/752383197.db2.gz LSWOGQDGYYXORM-AWEZNQCLSA-N 1 1 349.410 0.613 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(C#N)c(C)n1 ZINC001126355373 752384319 /nfs/dbraw/zinc/38/43/19/752384319.db2.gz NAQOUYMPTFHEHV-INIZCTEOSA-N 1 1 345.447 0.782 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)CC[N@@H+](C)CCC)C2)nn1 ZINC001105365530 752437880 /nfs/dbraw/zinc/43/78/80/752437880.db2.gz YQYWELXNPATAMC-UHFFFAOYSA-N 1 1 332.452 0.506 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001105365530 752437885 /nfs/dbraw/zinc/43/78/85/752437885.db2.gz YQYWELXNPATAMC-UHFFFAOYSA-N 1 1 332.452 0.506 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001007503982 752459550 /nfs/dbraw/zinc/45/95/50/752459550.db2.gz UCGUILBKKDIBQG-UKRRQHHQSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001007503982 752459553 /nfs/dbraw/zinc/45/95/53/752459553.db2.gz UCGUILBKKDIBQG-UKRRQHHQSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)C3=COCCO3)C2)C1=O ZINC001028391891 752529269 /nfs/dbraw/zinc/52/92/69/752529269.db2.gz MLSWBFPOUGLWBF-UONOGXRCSA-N 1 1 335.404 0.100 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001028389993 752538204 /nfs/dbraw/zinc/53/82/04/752538204.db2.gz KNTNTNSQUGQBEJ-JSGCOSHPSA-N 1 1 345.403 0.021 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cnn(C)c3)C2)C1=O ZINC001028397089 752542490 /nfs/dbraw/zinc/54/24/90/752542490.db2.gz XUIGUOUFWZSFKO-HIFRSBDPSA-N 1 1 331.420 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=COCCO2)[C@@H]1C ZINC000988738279 752640820 /nfs/dbraw/zinc/64/08/20/752640820.db2.gz MDFNRIGTGSWPOZ-ILXRZTDVSA-N 1 1 347.415 0.078 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=COCCO2)[C@@H]1C ZINC000988738279 752640823 /nfs/dbraw/zinc/64/08/23/752640823.db2.gz MDFNRIGTGSWPOZ-ILXRZTDVSA-N 1 1 347.415 0.078 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnsn2)[C@@H]1C ZINC000988739249 752641752 /nfs/dbraw/zinc/64/17/52/752641752.db2.gz VBKLFWCBLYYIFV-DYEKYZERSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnsn2)[C@@H]1C ZINC000988739249 752641754 /nfs/dbraw/zinc/64/17/54/752641754.db2.gz VBKLFWCBLYYIFV-DYEKYZERSA-N 1 1 347.444 0.355 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028448968 752687619 /nfs/dbraw/zinc/68/76/19/752687619.db2.gz RALGZUMJQAOPQS-CZUORRHYSA-N 1 1 326.400 0.775 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001028467752 752761496 /nfs/dbraw/zinc/76/14/96/752761496.db2.gz HDYZBQGCRGMKJW-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO COCCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C#N)nc1 ZINC001126373278 752817817 /nfs/dbraw/zinc/81/78/17/752817817.db2.gz SBYRBEXXDSVUBS-HNNXBMFYSA-N 1 1 345.447 0.864 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000991615025 762160547 /nfs/dbraw/zinc/16/05/47/762160547.db2.gz MSUKWEOYZIJDRY-UHFFFAOYSA-N 1 1 340.387 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028486487 752821251 /nfs/dbraw/zinc/82/12/51/752821251.db2.gz GNKLJEXAKXLWOB-CZUORRHYSA-N 1 1 341.415 0.725 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028488896 752824787 /nfs/dbraw/zinc/82/47/87/752824787.db2.gz JUENGFNYTMTQFI-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000982546644 752859826 /nfs/dbraw/zinc/85/98/26/752859826.db2.gz MWNBIDLPOSUJGD-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000982547440 752861682 /nfs/dbraw/zinc/86/16/82/752861682.db2.gz PNPPXVCHQCJOPY-UKRRQHHQSA-N 1 1 346.435 0.137 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000982548767 752864341 /nfs/dbraw/zinc/86/43/41/752864341.db2.gz VWNHEHATGRTLHZ-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn([C@H](C)COC)nc2C)[C@@H](O)C1 ZINC001083460708 752886819 /nfs/dbraw/zinc/88/68/19/752886819.db2.gz UXRXYZHYDYATJL-WQVCFCJDSA-N 1 1 336.436 0.750 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn([C@H](C)COC)nc2C)[C@@H](O)C1 ZINC001083460708 752886825 /nfs/dbraw/zinc/88/68/25/752886825.db2.gz UXRXYZHYDYATJL-WQVCFCJDSA-N 1 1 336.436 0.750 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)C(F)F)C(C)(C)C1 ZINC001007764294 752910068 /nfs/dbraw/zinc/91/00/68/752910068.db2.gz IGVAIKJSVMQENC-RYUDHWBXSA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)C(F)F)C(C)(C)C1 ZINC001007764294 752910072 /nfs/dbraw/zinc/91/00/72/752910072.db2.gz IGVAIKJSVMQENC-RYUDHWBXSA-N 1 1 327.375 0.702 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001059931928 752911719 /nfs/dbraw/zinc/91/17/19/752911719.db2.gz YKJABXNFVJGEON-LSDHHAIUSA-N 1 1 342.447 0.941 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)C1CS(=O)(=O)C1 ZINC000988878860 752987125 /nfs/dbraw/zinc/98/71/25/752987125.db2.gz MKHFEBXGORRQPP-MLGOLLRUSA-N 1 1 347.440 0.682 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nnnn1-c1ccccc1 ZINC001126377771 753016270 /nfs/dbraw/zinc/01/62/70/753016270.db2.gz FPMOWZBOCHBLES-MRXNPFEDSA-N 1 1 330.392 0.195 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c(F)c1 ZINC001028519638 753018433 /nfs/dbraw/zinc/01/84/33/753018433.db2.gz QPTSGWNJEKJBMX-WFASDCNBSA-N 1 1 346.362 0.744 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3nn(C)cc3C)C2)C1=O ZINC001028537553 753099240 /nfs/dbraw/zinc/09/92/40/753099240.db2.gz NFCZPDRCIJUBDL-HUUCEWRRSA-N 1 1 345.447 0.567 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001028549560 753112062 /nfs/dbraw/zinc/11/20/62/753112062.db2.gz RGBDUAFTKVTEKY-BMFZPTHFSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001028549560 753112066 /nfs/dbraw/zinc/11/20/66/753112066.db2.gz RGBDUAFTKVTEKY-BMFZPTHFSA-N 1 1 333.436 0.734 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000989047939 753176075 /nfs/dbraw/zinc/17/60/75/753176075.db2.gz ARFLFQCFMVXFLS-IPYPFGDCSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000989049727 753178342 /nfs/dbraw/zinc/17/83/42/753178342.db2.gz PXCZQABWHYOGNK-IOASZLSFSA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000982661728 753240453 /nfs/dbraw/zinc/24/04/53/753240453.db2.gz TYGIHCOUEFWOQN-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462649 753286787 /nfs/dbraw/zinc/28/67/87/753286787.db2.gz SSDJQRXWPNMPJQ-JQHSSLGASA-N 1 1 333.476 0.826 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462649 753286795 /nfs/dbraw/zinc/28/67/95/753286795.db2.gz SSDJQRXWPNMPJQ-JQHSSLGASA-N 1 1 333.476 0.826 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001008122777 753340298 /nfs/dbraw/zinc/34/02/98/753340298.db2.gz MRISKHGZGRNRLR-DZGCQCFKSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001008122777 753340301 /nfs/dbraw/zinc/34/03/01/753340301.db2.gz MRISKHGZGRNRLR-DZGCQCFKSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@]2(C)C1 ZINC000982727689 753426706 /nfs/dbraw/zinc/42/67/06/753426706.db2.gz GFOWRIGWDHMNDC-HDICACEKSA-N 1 1 346.431 0.074 20 30 ECEDMO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CCNC1=O ZINC001008179019 753428999 /nfs/dbraw/zinc/42/89/99/753428999.db2.gz SXESACUYPRJWRS-SJORKVTESA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCNC1=O ZINC001008179019 753429001 /nfs/dbraw/zinc/42/90/01/753429001.db2.gz SXESACUYPRJWRS-SJORKVTESA-N 1 1 325.412 0.755 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@]3(C)C[N@H+]([C@H](C)C(N)=O)C[C@]3(C)C2)nc1 ZINC000982740885 753452583 /nfs/dbraw/zinc/45/25/83/753452583.db2.gz MDTLBEUSPYJJND-ZNOIYHFQSA-N 1 1 340.427 0.721 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001059039527 753531323 /nfs/dbraw/zinc/53/13/23/753531323.db2.gz KRWLXHGNQAOWRT-ZFWWWQNUSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001059039527 753531327 /nfs/dbraw/zinc/53/13/27/753531327.db2.gz KRWLXHGNQAOWRT-ZFWWWQNUSA-N 1 1 344.419 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)C(F)F)CC1(C)C ZINC001008278914 753541069 /nfs/dbraw/zinc/54/10/69/753541069.db2.gz UQYJYANRQCPKTC-RYUDHWBXSA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)C(F)F)CC1(C)C ZINC001008278914 753541073 /nfs/dbraw/zinc/54/10/73/753541073.db2.gz UQYJYANRQCPKTC-RYUDHWBXSA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@H]2CCOC2)CC1(C)C ZINC001008278402 753541466 /nfs/dbraw/zinc/54/14/66/753541466.db2.gz QVZRYQKKMIENJG-JYJNAYRXSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@H]2CCOC2)CC1(C)C ZINC001008278402 753541470 /nfs/dbraw/zinc/54/14/70/753541470.db2.gz QVZRYQKKMIENJG-JYJNAYRXSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001008280998 753543074 /nfs/dbraw/zinc/54/30/74/753543074.db2.gz GVGDVBAXHKKOIA-LSDHHAIUSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001008280998 753543079 /nfs/dbraw/zinc/54/30/79/753543079.db2.gz GVGDVBAXHKKOIA-LSDHHAIUSA-N 1 1 332.404 0.585 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)s1 ZINC001008371500 753669316 /nfs/dbraw/zinc/66/93/16/753669316.db2.gz IQFHXWXUWNQODG-GWCFXTLKSA-N 1 1 333.417 0.382 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)s1 ZINC001008371500 753669319 /nfs/dbraw/zinc/66/93/19/753669319.db2.gz IQFHXWXUWNQODG-GWCFXTLKSA-N 1 1 333.417 0.382 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001098683119 753690811 /nfs/dbraw/zinc/69/08/11/753690811.db2.gz QDWLHQCJAGQMLM-INIZCTEOSA-N 1 1 330.436 0.259 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CCOC3)[C@@H](O)C2)cc1 ZINC001083379989 753736505 /nfs/dbraw/zinc/73/65/05/753736505.db2.gz HFINIMNAGFRLRW-BBWFWOEESA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CCOC3)[C@@H](O)C2)cc1 ZINC001083379989 753736511 /nfs/dbraw/zinc/73/65/11/753736511.db2.gz HFINIMNAGFRLRW-BBWFWOEESA-N 1 1 329.400 0.646 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)nn1 ZINC001105374298 753751507 /nfs/dbraw/zinc/75/15/07/753751507.db2.gz TXAFMSNYZVEKML-LBPRGKRZSA-N 1 1 341.419 0.465 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2cncc(C#N)n2)C1 ZINC001105531686 753800501 /nfs/dbraw/zinc/80/05/01/753800501.db2.gz GKDMBBJUXZASET-HNNXBMFYSA-N 1 1 346.435 0.352 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc[nH]3)C2)nn1 ZINC001105375461 753814487 /nfs/dbraw/zinc/81/44/87/753814487.db2.gz DKMIHFYMXIBNLH-UHFFFAOYSA-N 1 1 344.419 0.524 20 30 ECEDMO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105582983 753863399 /nfs/dbraw/zinc/86/33/99/753863399.db2.gz CDMCQJQXPISVGU-LSDHHAIUSA-N 1 1 344.419 0.106 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001028633137 754012515 /nfs/dbraw/zinc/01/25/15/754012515.db2.gz YKOZDXKSYCFYIH-XQQFMLRXSA-N 1 1 334.338 0.794 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)CC2)nc1 ZINC000989513134 754064278 /nfs/dbraw/zinc/06/42/78/754064278.db2.gz XOXJNTLDFFESFB-AWEZNQCLSA-N 1 1 328.416 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)N(C)C)CC2)nc1 ZINC000989513134 754064286 /nfs/dbraw/zinc/06/42/86/754064286.db2.gz XOXJNTLDFFESFB-AWEZNQCLSA-N 1 1 328.416 0.688 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cc(OC)no3)C[C@H]2C)nn1 ZINC000989535592 754079484 /nfs/dbraw/zinc/07/94/84/754079484.db2.gz CDKYJLKVKCUPDJ-VXGBXAGGSA-N 1 1 346.391 0.854 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cn(CC)nn3)C[C@@H]2C)nn1 ZINC000989536984 754081192 /nfs/dbraw/zinc/08/11/92/754081192.db2.gz QRYZJJIEQUNGHF-QWHCGFSZSA-N 1 1 344.423 0.468 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CO[C@H](C[NH2+]Cc3ncnn3C)C2)CC1 ZINC000982888492 754099002 /nfs/dbraw/zinc/09/90/02/754099002.db2.gz CWZKUPLXXIBQHB-KGLIPLIRSA-N 1 1 346.435 0.462 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1)C1CCC1 ZINC000982897627 754125473 /nfs/dbraw/zinc/12/54/73/754125473.db2.gz ODAIUFASYHKTIA-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc[nH]c2C)C1 ZINC000982920623 754198985 /nfs/dbraw/zinc/19/89/85/754198985.db2.gz DVIXEKSKBIRCFH-WBVHZDCISA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc[nH]c2C)C1 ZINC000982920623 754198994 /nfs/dbraw/zinc/19/89/94/754198994.db2.gz DVIXEKSKBIRCFH-WBVHZDCISA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc[nH]c2C)C1 ZINC000982920621 754199075 /nfs/dbraw/zinc/19/90/75/754199075.db2.gz DVIXEKSKBIRCFH-RDJZCZTQSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc[nH]c2C)C1 ZINC000982920621 754199077 /nfs/dbraw/zinc/19/90/77/754199077.db2.gz DVIXEKSKBIRCFH-RDJZCZTQSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC000982922587 754203969 /nfs/dbraw/zinc/20/39/69/754203969.db2.gz MAGYYPMMSBBLJL-HOCLYGCPSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC000982922587 754203975 /nfs/dbraw/zinc/20/39/75/754203975.db2.gz MAGYYPMMSBBLJL-HOCLYGCPSA-N 1 1 344.415 0.659 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028659849 754385898 /nfs/dbraw/zinc/38/58/98/754385898.db2.gz YQMJXPZVYXJHIQ-LLVKDONJSA-N 1 1 327.406 0.555 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001008986470 754388520 /nfs/dbraw/zinc/38/85/20/754388520.db2.gz PFKMLEZSPUYEKK-KGLIPLIRSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001008986470 754388532 /nfs/dbraw/zinc/38/85/32/754388532.db2.gz PFKMLEZSPUYEKK-KGLIPLIRSA-N 1 1 331.420 0.320 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC001105377144 754472288 /nfs/dbraw/zinc/47/22/88/754472288.db2.gz RNUAYANQOQDGLI-OKILXGFUSA-N 1 1 330.436 0.257 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000983052392 754512837 /nfs/dbraw/zinc/51/28/37/754512837.db2.gz TZGHPNZFLRWIIP-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000983080427 754574776 /nfs/dbraw/zinc/57/47/76/754574776.db2.gz ZFLOOWXLUWDZLD-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000983080427 754574781 /nfs/dbraw/zinc/57/47/81/754574781.db2.gz ZFLOOWXLUWDZLD-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC001009278318 754737337 /nfs/dbraw/zinc/73/73/37/754737337.db2.gz UPPPIBHUUNSWDJ-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC001009278318 754737342 /nfs/dbraw/zinc/73/73/42/754737342.db2.gz UPPPIBHUUNSWDJ-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC000990124646 754747057 /nfs/dbraw/zinc/74/70/57/754747057.db2.gz PRKZZXQSWFNMLG-RZFFKMDDSA-N 1 1 332.404 0.649 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001028714902 754808643 /nfs/dbraw/zinc/80/86/43/754808643.db2.gz WTNOJTDWRUTBJV-LBPRGKRZSA-N 1 1 347.810 0.862 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001028714902 754808646 /nfs/dbraw/zinc/80/86/46/754808646.db2.gz WTNOJTDWRUTBJV-LBPRGKRZSA-N 1 1 347.810 0.862 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)C1=O ZINC000990165195 754809584 /nfs/dbraw/zinc/80/95/84/754809584.db2.gz VXXSFNAFAIIYGS-MPGHIAIKSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC001088703076 754814980 /nfs/dbraw/zinc/81/49/80/754814980.db2.gz ZXRHFZNWIYUVFN-MNOVXSKESA-N 1 1 327.406 0.696 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)cc1 ZINC001028732864 754901930 /nfs/dbraw/zinc/90/19/30/754901930.db2.gz QFIKMTWSVOEMDN-DOTOQJQBSA-N 1 1 325.412 0.950 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)cc1 ZINC001028735041 754920611 /nfs/dbraw/zinc/92/06/11/754920611.db2.gz FYUYGGGXQFGDGD-HOTGVXAUSA-N 1 1 326.400 0.632 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990286112 754921849 /nfs/dbraw/zinc/92/18/49/754921849.db2.gz AXWJODAZMXAXCX-RDJZCZTQSA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990286112 754921853 /nfs/dbraw/zinc/92/18/53/754921853.db2.gz AXWJODAZMXAXCX-RDJZCZTQSA-N 1 1 339.403 0.942 20 30 ECEDMO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCNC1=O ZINC001028735994 754924293 /nfs/dbraw/zinc/92/42/93/754924293.db2.gz VEABEGKBUPYTKV-IRXDYDNUSA-N 1 1 325.412 0.612 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)c3cnc(C)[nH]3)CC2)C1=O ZINC000990287535 754924701 /nfs/dbraw/zinc/92/47/01/754924701.db2.gz MUHNLWGLVNMJIS-AWEZNQCLSA-N 1 1 331.420 0.699 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H]2CCNC2=O)CC3)[nH]1 ZINC000990279192 754936003 /nfs/dbraw/zinc/93/60/03/754936003.db2.gz YLNSQHFWDVWEFF-CPUCHLNUSA-N 1 1 327.388 0.502 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CN3CN=NC3=O)CCC[C@H]12 ZINC000990306363 754939376 /nfs/dbraw/zinc/93/93/76/754939376.db2.gz JPNWJTZZNZNAGU-SMDDNHRTSA-N 1 1 325.800 0.849 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CN3CN=NC3=O)CCC[C@H]12 ZINC000990306363 754939381 /nfs/dbraw/zinc/93/93/81/754939381.db2.gz JPNWJTZZNZNAGU-SMDDNHRTSA-N 1 1 325.800 0.849 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001028741605 754946910 /nfs/dbraw/zinc/94/69/10/754946910.db2.gz DOUOAEJPTUTFTD-RYUDHWBXSA-N 1 1 344.253 0.811 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001028741605 754946912 /nfs/dbraw/zinc/94/69/12/754946912.db2.gz DOUOAEJPTUTFTD-RYUDHWBXSA-N 1 1 344.253 0.811 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3c(C)cnn3C)C2)C1=O ZINC001028748212 754961142 /nfs/dbraw/zinc/96/11/42/754961142.db2.gz SZFITAHUUOQJDJ-GJZGRUSLSA-N 1 1 345.447 0.567 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3c[nH]c(=O)cn3)C2)cc1 ZINC001028766013 755033015 /nfs/dbraw/zinc/03/30/15/755033015.db2.gz KZDTVJSTDAMRQZ-HNNXBMFYSA-N 1 1 337.383 0.893 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001060034941 755168989 /nfs/dbraw/zinc/16/89/89/755168989.db2.gz VCXULEFJVVERAG-UONOGXRCSA-N 1 1 328.420 0.372 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 ZINC001028805487 755183734 /nfs/dbraw/zinc/18/37/34/755183734.db2.gz ORJLDEFFPJRXGS-OAGGEKHMSA-N 1 1 326.400 0.618 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC001075709423 755193470 /nfs/dbraw/zinc/19/34/70/755193470.db2.gz IDLSHVSGJWCTMV-APHBMKBZSA-N 1 1 341.415 0.653 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001028817080 755215380 /nfs/dbraw/zinc/21/53/80/755215380.db2.gz RQCVLRAZDFFEAF-STQMWFEESA-N 1 1 338.843 0.816 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001028817080 755215383 /nfs/dbraw/zinc/21/53/83/755215383.db2.gz RQCVLRAZDFFEAF-STQMWFEESA-N 1 1 338.843 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCCN1C(=O)[C@H](C)OC ZINC000990489153 755267856 /nfs/dbraw/zinc/26/78/56/755267856.db2.gz UOMVOJGPXWSFEW-ULQDDVLXSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCCN1C(=O)[C@H](C)OC ZINC000990489153 755267861 /nfs/dbraw/zinc/26/78/61/755267861.db2.gz UOMVOJGPXWSFEW-ULQDDVLXSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001028852118 755310197 /nfs/dbraw/zinc/31/01/97/755310197.db2.gz FTFOZUHEWAAABD-CQSZACIVSA-N 1 1 343.435 0.758 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001028852102 755310328 /nfs/dbraw/zinc/31/03/28/755310328.db2.gz FIPMPJKFWOBYJT-QWHCGFSZSA-N 1 1 346.435 0.183 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083470585 755313282 /nfs/dbraw/zinc/31/32/82/755313282.db2.gz ASFWYGXIZNECGH-NCOADZHNSA-N 1 1 338.448 0.556 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](CCc3cnn(C)c3)C2)nn1 ZINC001028853258 755313504 /nfs/dbraw/zinc/31/35/04/755313504.db2.gz RXKYEVBLHUTEQE-CQSZACIVSA-N 1 1 343.435 0.492 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001028853148 755315041 /nfs/dbraw/zinc/31/50/41/755315041.db2.gz QHRTYJNJPNUDJU-JTQLQIEISA-N 1 1 329.326 0.909 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001028857443 755322319 /nfs/dbraw/zinc/32/23/19/755322319.db2.gz IDZNEBBQQDIIJC-ZFWWWQNUSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cn(CCOC)nn3)CCC[C@H]12 ZINC000990588645 755455460 /nfs/dbraw/zinc/45/54/60/755455460.db2.gz LZTCARDYLVXRSN-DOTOQJQBSA-N 1 1 331.420 0.675 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)[C@@H](O)C1 ZINC001083483722 755641981 /nfs/dbraw/zinc/64/19/81/755641981.db2.gz GFHPUBSRWBDQIE-ZACQAIPSSA-N 1 1 349.475 0.763 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)n3)on2)[C@@H](O)C1 ZINC001083490196 755678368 /nfs/dbraw/zinc/67/83/68/755678368.db2.gz TVIAYRYLLFMHPD-KGLIPLIRSA-N 1 1 331.376 0.426 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)n3)on2)[C@@H](O)C1 ZINC001083490196 755678371 /nfs/dbraw/zinc/67/83/71/755678371.db2.gz TVIAYRYLLFMHPD-KGLIPLIRSA-N 1 1 331.376 0.426 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088793994 755711856 /nfs/dbraw/zinc/71/18/56/755711856.db2.gz ZLRBRBCZQIYJNZ-KCXAZCMYSA-N 1 1 326.400 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)COC)CC(C)(C)C1 ZINC000990721111 755754015 /nfs/dbraw/zinc/75/40/15/755754015.db2.gz WRQOFWBEQWXREX-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)COC)CC(C)(C)C1 ZINC000990721111 755754020 /nfs/dbraw/zinc/75/40/20/755754020.db2.gz WRQOFWBEQWXREX-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO Cc1nn2c(nc(C[NH2+]CCNC(=O)C#CC3CC3)cc2=O)s1 ZINC001126875758 755754124 /nfs/dbraw/zinc/75/41/24/755754124.db2.gz MWTCCGMNKGDDBA-UHFFFAOYSA-N 1 1 331.401 0.079 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)[C@@H](O)C1 ZINC001083538166 755986345 /nfs/dbraw/zinc/98/63/45/755986345.db2.gz KYFFJGQFAPEZMG-NCOADZHNSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)COc3c(C)occc3=O)[C@@H]2C1 ZINC001076021874 756006228 /nfs/dbraw/zinc/00/62/28/756006228.db2.gz WWZKYQFENMLGQL-LSDHHAIUSA-N 1 1 330.384 0.883 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1 ZINC001010381232 756063644 /nfs/dbraw/zinc/06/36/44/756063644.db2.gz NIJGXXQPFNKCSQ-GDBMZVCRSA-N 1 1 342.399 0.558 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 ZINC001076084967 756065088 /nfs/dbraw/zinc/06/50/88/756065088.db2.gz UFLHTORMLZNFLU-LSDHHAIUSA-N 1 1 333.436 0.471 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001010388511 756073661 /nfs/dbraw/zinc/07/36/61/756073661.db2.gz SCRJEQBXAPSMPE-DZGCQCFKSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001010388511 756073667 /nfs/dbraw/zinc/07/36/67/756073667.db2.gz SCRJEQBXAPSMPE-DZGCQCFKSA-N 1 1 331.420 0.320 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)COC)C2)C1 ZINC001010487992 756176783 /nfs/dbraw/zinc/17/67/83/756176783.db2.gz OANZYJHIUNJAGG-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)COC)C2)C1 ZINC001010487992 756176787 /nfs/dbraw/zinc/17/67/87/756176787.db2.gz OANZYJHIUNJAGG-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001010535121 756216411 /nfs/dbraw/zinc/21/64/11/756216411.db2.gz MLDVLQJQXFLXBE-UKRRQHHQSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001010535121 756216415 /nfs/dbraw/zinc/21/64/15/756216415.db2.gz MLDVLQJQXFLXBE-UKRRQHHQSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001010535121 756216419 /nfs/dbraw/zinc/21/64/19/756216419.db2.gz MLDVLQJQXFLXBE-UKRRQHHQSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001010535121 756216424 /nfs/dbraw/zinc/21/64/24/756216424.db2.gz MLDVLQJQXFLXBE-UKRRQHHQSA-N 1 1 331.420 0.238 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)c1 ZINC001076223015 756234052 /nfs/dbraw/zinc/23/40/52/756234052.db2.gz DGBQDHQUPDOIGO-USXIJHARSA-N 1 1 338.411 0.488 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@H]12 ZINC000991649968 762457058 /nfs/dbraw/zinc/45/70/58/762457058.db2.gz ARFRCUOWJSYNME-SUMWQHHRSA-N 1 1 330.388 0.085 20 30 ECEDMO CC(C)(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)[nH]1 ZINC001051609189 762458529 /nfs/dbraw/zinc/45/85/29/762458529.db2.gz QHCLVYNDUOOZRW-CQSZACIVSA-N 1 1 345.447 0.833 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)[nH]1 ZINC001010657216 756359231 /nfs/dbraw/zinc/35/92/31/756359231.db2.gz ONGAWAIGYXICCP-OLZOCXBDSA-N 1 1 325.376 0.469 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)nn1 ZINC001076345129 756396200 /nfs/dbraw/zinc/39/62/00/756396200.db2.gz PKIFZLLGQBEDSI-DZGCQCFKSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)nn1 ZINC001076345129 756396205 /nfs/dbraw/zinc/39/62/05/756396205.db2.gz PKIFZLLGQBEDSI-DZGCQCFKSA-N 1 1 346.435 0.089 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010687747 756397756 /nfs/dbraw/zinc/39/77/56/756397756.db2.gz FOLSSHWHNMCTCV-ZWKOTPCHSA-N 1 1 327.428 0.559 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010687747 756397763 /nfs/dbraw/zinc/39/77/63/756397763.db2.gz FOLSSHWHNMCTCV-ZWKOTPCHSA-N 1 1 327.428 0.559 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001076350981 756402800 /nfs/dbraw/zinc/40/28/00/756402800.db2.gz OVJXABUIQQNSOU-RRFJBIMHSA-N 1 1 341.477 0.519 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010692678 756405849 /nfs/dbraw/zinc/40/58/49/756405849.db2.gz NNYUJDZQTVRKDR-DOMZBBRYSA-N 1 1 334.445 0.641 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010692678 756405852 /nfs/dbraw/zinc/40/58/52/756405852.db2.gz NNYUJDZQTVRKDR-DOMZBBRYSA-N 1 1 334.445 0.641 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001076410298 756480898 /nfs/dbraw/zinc/48/08/98/756480898.db2.gz HVFCPZMEIWTBBA-JKSUJKDBSA-N 1 1 347.463 0.484 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)ccn3C)C2)C1=O ZINC001010765605 756497001 /nfs/dbraw/zinc/49/70/01/756497001.db2.gz DPVYQBVBSIYMME-HUUCEWRRSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)ccn3C)C2)C1=O ZINC001010765605 756497003 /nfs/dbraw/zinc/49/70/03/756497003.db2.gz DPVYQBVBSIYMME-HUUCEWRRSA-N 1 1 330.432 0.925 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001076456773 756533246 /nfs/dbraw/zinc/53/32/46/756533246.db2.gz ZPNLMPHJHXRZBC-NWDGAFQWSA-N 1 1 340.811 0.166 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001076456773 756533248 /nfs/dbraw/zinc/53/32/48/756533248.db2.gz ZPNLMPHJHXRZBC-NWDGAFQWSA-N 1 1 340.811 0.166 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCCC)n3)[C@@H]2C1 ZINC001076556443 756652403 /nfs/dbraw/zinc/65/24/03/756652403.db2.gz KDKGYNFCYPFDJT-GOEBONIOSA-N 1 1 328.416 0.823 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)CC[N@H+](C)CC)nn1 ZINC001076575710 756664703 /nfs/dbraw/zinc/66/47/03/756664703.db2.gz FKBYMSLBZIRWIT-ZDUSSCGKSA-N 1 1 336.440 0.431 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001076598568 756713533 /nfs/dbraw/zinc/71/35/33/756713533.db2.gz HOIFNNTVXCYMKV-NSHDSACASA-N 1 1 328.376 0.716 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnc(C)n4C3)[C@@H]2C1 ZINC001076600926 756716889 /nfs/dbraw/zinc/71/68/89/756716889.db2.gz WWSRMPFYYVMINS-HRCADAONSA-N 1 1 327.432 0.705 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990898263 756757956 /nfs/dbraw/zinc/75/79/56/756757956.db2.gz CRFIRMGPRQCGNF-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@@H+](CC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)C1CCC1 ZINC001011020456 756774706 /nfs/dbraw/zinc/77/47/06/756774706.db2.gz WQNKVAJIXUKPQF-UHFFFAOYSA-N 1 1 329.404 0.655 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cncnc4)C[C@H]3C2)C1=O ZINC001048780969 756973428 /nfs/dbraw/zinc/97/34/28/756973428.db2.gz SPOGKZIZSZLVLW-OWCLPIDISA-N 1 1 341.415 0.267 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](OC)C4CC4)C[C@H]3C2)C1=O ZINC001048792581 757011646 /nfs/dbraw/zinc/01/16/46/757011646.db2.gz AMTNQZICIDGORQ-YVSFHVDLSA-N 1 1 347.459 0.589 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)CCO1 ZINC001048813147 757075129 /nfs/dbraw/zinc/07/51/29/757075129.db2.gz GDRJTGLHBQZSPV-OIISXLGYSA-N 1 1 345.443 0.037 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001048813858 757080129 /nfs/dbraw/zinc/08/01/29/757080129.db2.gz OLYWRMRRPPMXBM-IKGGRYGDSA-N 1 1 349.475 0.550 20 30 ECEDMO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](CC3CC(F)(F)C3)C2)nn1 ZINC001107149283 757085251 /nfs/dbraw/zinc/08/52/51/757085251.db2.gz AFUBGORWGHKDBK-SNVBAGLBSA-N 1 1 338.362 0.956 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)C[C@@H]2C1 ZINC001048826621 757123111 /nfs/dbraw/zinc/12/31/11/757123111.db2.gz KUCOVUDJWGRTAA-CLWVCHIJSA-N 1 1 332.404 0.941 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)C[C@@H]2C1 ZINC001048826621 757123115 /nfs/dbraw/zinc/12/31/15/757123115.db2.gz KUCOVUDJWGRTAA-CLWVCHIJSA-N 1 1 332.404 0.941 20 30 ECEDMO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048832790 757136774 /nfs/dbraw/zinc/13/67/74/757136774.db2.gz WXPMOLMPQVRFOB-KKUMJFAQSA-N 1 1 335.448 0.018 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cnc4cc[nH]cc-4c3=O)C[C@H]2C1 ZINC001048843515 757156643 /nfs/dbraw/zinc/15/66/43/757156643.db2.gz JBKIABDENWVREY-OKILXGFUSA-N 1 1 336.395 0.950 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@@](C)(O)C3CC3)nn2)C1 ZINC001107161061 757186260 /nfs/dbraw/zinc/18/62/60/757186260.db2.gz WDWKJIZQFJAOJE-QGZVFWFLSA-N 1 1 333.436 0.878 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)C[N@@H+](C)C3CCC3)nn2)C1 ZINC001107179908 757298690 /nfs/dbraw/zinc/29/86/90/757298690.db2.gz WFKSRVJPSRONCA-UHFFFAOYSA-N 1 1 330.436 0.259 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccsn4)C[C@H]3C2)C1=O ZINC001048885600 757300353 /nfs/dbraw/zinc/30/03/53/757300353.db2.gz ATZJSDMYCMFQQR-VNHYZAJKSA-N 1 1 346.456 0.934 20 30 ECEDMO NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001021365647 757353879 /nfs/dbraw/zinc/35/38/79/757353879.db2.gz YZVUSCFQYMKZBT-MQVJKMGUSA-N 1 1 329.375 0.774 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001021411968 757406139 /nfs/dbraw/zinc/40/61/39/757406139.db2.gz XJWRTJRRYKBSNB-VBNZEHGJSA-N 1 1 341.415 0.653 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(CNC(C)=O)cc3)C[C@H]2C1 ZINC001048923546 757425430 /nfs/dbraw/zinc/42/54/30/757425430.db2.gz WRJGLXLRDVZGGW-HDICACEKSA-N 1 1 325.412 0.960 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)cn1 ZINC001021440403 757448178 /nfs/dbraw/zinc/44/81/78/757448178.db2.gz JRFDFPHMFAAEGH-GVZPALNKSA-N 1 1 326.400 0.662 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)nc1 ZINC001021440229 757448419 /nfs/dbraw/zinc/44/84/19/757448419.db2.gz DYUAJYGJFYXBJF-BTFYYFJDSA-N 1 1 338.411 0.677 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)CCc3ccc(C(N)=O)cc3)C[C@H]2C1 ZINC001048936416 757460898 /nfs/dbraw/zinc/46/08/98/757460898.db2.gz GFNMYTTYHJOXJX-CALCHBBNSA-N 1 1 325.412 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc(C)c2)CC1 ZINC001011314177 757487397 /nfs/dbraw/zinc/48/73/97/757487397.db2.gz GMHOQEZOBQIQOP-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc(C)c2)CC1 ZINC001011314177 757487402 /nfs/dbraw/zinc/48/74/02/757487402.db2.gz GMHOQEZOBQIQOP-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC001011314749 757489741 /nfs/dbraw/zinc/48/97/41/757489741.db2.gz IXDZNRKFZQJTTA-HNNXBMFYSA-N 1 1 332.379 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC001011314749 757489742 /nfs/dbraw/zinc/48/97/42/757489742.db2.gz IXDZNRKFZQJTTA-HNNXBMFYSA-N 1 1 332.379 0.536 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@H]2C1 ZINC001048960721 757522450 /nfs/dbraw/zinc/52/24/50/757522450.db2.gz KCJOXKFCZCJTSC-CEXWTWQISA-N 1 1 345.487 0.901 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@H]2C1 ZINC001048960787 757523901 /nfs/dbraw/zinc/52/39/01/757523901.db2.gz MKKKPDAJVBFYIG-QLFBSQMISA-N 1 1 343.418 0.919 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001048966068 757539635 /nfs/dbraw/zinc/53/96/35/757539635.db2.gz CIYPOYOQRKWOEJ-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001076901071 757543763 /nfs/dbraw/zinc/54/37/63/757543763.db2.gz QGQZBZRALIHHDB-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001076906156 757558618 /nfs/dbraw/zinc/55/86/18/757558618.db2.gz PEYFUJKYEAIZFC-RBSFLKMASA-N 1 1 332.404 0.476 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(=O)n(C)cn2)C1 ZINC001021607119 757678588 /nfs/dbraw/zinc/67/85/88/757678588.db2.gz MHCMJJFYRQMNPV-HOCLYGCPSA-N 1 1 328.416 0.730 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021607244 757680456 /nfs/dbraw/zinc/68/04/56/757680456.db2.gz UGQBQKVPWBEGCK-HOTGVXAUSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 ZINC001021626726 757706639 /nfs/dbraw/zinc/70/66/39/757706639.db2.gz HQWHCOHIDPCNFL-HOTGVXAUSA-N 1 1 345.443 0.862 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021632063 757714342 /nfs/dbraw/zinc/71/43/42/757714342.db2.gz FTSLIIJMUBLTQA-JKSUJKDBSA-N 1 1 347.463 0.861 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](OC)C(C)C)C[C@H]3C2)C1=O ZINC001049028968 757738145 /nfs/dbraw/zinc/73/81/45/757738145.db2.gz PEXGXQCNHAGNDS-TWMKSMIVSA-N 1 1 349.475 0.835 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021661686 757753039 /nfs/dbraw/zinc/75/30/39/757753039.db2.gz RAMVCWPQQXUJHY-BBRMVZONSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021661686 757753047 /nfs/dbraw/zinc/75/30/47/757753047.db2.gz RAMVCWPQQXUJHY-BBRMVZONSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)s1 ZINC001021661713 757753851 /nfs/dbraw/zinc/75/38/51/757753851.db2.gz RHTYXIADANVJGS-BXUZGUMPSA-N 1 1 332.429 0.918 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@@H]3C2)C1 ZINC001049042186 757767459 /nfs/dbraw/zinc/76/74/59/757767459.db2.gz ANYZLIPNFZPFTG-OKILXGFUSA-N 1 1 346.431 0.285 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@@H+](CCO)CC[C@@H]32)nn1 ZINC001021687353 757782936 /nfs/dbraw/zinc/78/29/36/757782936.db2.gz HUMHGCWBOUKWJL-HOCLYGCPSA-N 1 1 333.436 0.773 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001021688267 757784336 /nfs/dbraw/zinc/78/43/36/757784336.db2.gz MNIIWLYAWVWOOC-HIFRSBDPSA-N 1 1 339.399 0.995 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cnccc2=O)C1 ZINC001021704372 757826005 /nfs/dbraw/zinc/82/60/05/757826005.db2.gz SCGZLOACMUPOSH-DLBZAZTESA-N 1 1 342.443 0.970 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)CC[C@@H]32)nc1 ZINC001021713028 757849913 /nfs/dbraw/zinc/84/99/13/757849913.db2.gz CTUBFIBYVGQFJC-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021733527 757877311 /nfs/dbraw/zinc/87/73/11/757877311.db2.gz OTMDMMKFZDCYKI-DZGCQCFKSA-N 1 1 346.431 0.989 20 30 ECEDMO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001077000847 757883397 /nfs/dbraw/zinc/88/33/97/757883397.db2.gz SSDJQRXWPNMPJQ-CGTJXYLNSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001077000847 757883410 /nfs/dbraw/zinc/88/34/10/757883410.db2.gz SSDJQRXWPNMPJQ-CGTJXYLNSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3CN(CC(N)=O)CC[C@@H]32)CC1 ZINC001021739089 757890486 /nfs/dbraw/zinc/89/04/86/757890486.db2.gz GJYZMATUDTVUQQ-SJORKVTESA-N 1 1 346.475 0.130 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3nncn3C)C(C)(C)C2)nc1 ZINC000996529244 757897587 /nfs/dbraw/zinc/89/75/87/757897587.db2.gz SDJRYWLHLQZERG-OAHLLOKOSA-N 1 1 338.415 0.832 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC45CC5)C[C@H]3C2)C1=O ZINC001049081128 757907969 /nfs/dbraw/zinc/90/79/69/757907969.db2.gz HXGJJMLGQHCXRO-FZKCQIBNSA-N 1 1 329.444 0.964 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001051650288 762586750 /nfs/dbraw/zinc/58/67/50/762586750.db2.gz IFRAGOOFEBREOY-GJZGRUSLSA-N 1 1 340.387 0.663 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](O)C2)nc(C)[nH+]1 ZINC001051650290 762586948 /nfs/dbraw/zinc/58/69/48/762586948.db2.gz IFRAGOOFEBREOY-LSDHHAIUSA-N 1 1 340.387 0.663 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001077014367 757941143 /nfs/dbraw/zinc/94/11/43/757941143.db2.gz SJSGJXHBDYHFTM-QBPKDAKJSA-N 1 1 344.459 0.891 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001021815356 757944249 /nfs/dbraw/zinc/94/42/49/757944249.db2.gz PZQIJGAWJNYONU-ARFHVFGLSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001021815356 757944253 /nfs/dbraw/zinc/94/42/53/757944253.db2.gz PZQIJGAWJNYONU-ARFHVFGLSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4nc(C)c[nH]4)C[C@H]3C2)C1=O ZINC001049104996 757969493 /nfs/dbraw/zinc/96/94/93/757969493.db2.gz DHGBEMLILMPGHE-QLFBSQMISA-N 1 1 343.431 0.509 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049111506 757987944 /nfs/dbraw/zinc/98/79/44/757987944.db2.gz UNNWYWXJCPTYME-NNXHMXCWSA-N 1 1 347.459 0.589 20 30 ECEDMO Cc1cc(C#N)nc(NC/C=C/CNC(=O)CC[NH+]2CCOCC2)n1 ZINC001107253326 758048514 /nfs/dbraw/zinc/04/85/14/758048514.db2.gz BQDSVTODPPQSPK-NSCUHMNNSA-N 1 1 344.419 0.463 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001021983790 758128835 /nfs/dbraw/zinc/12/88/35/758128835.db2.gz FIQPUPAGWSEZHB-TXEJJXNPSA-N 1 1 328.380 0.504 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049149252 758128883 /nfs/dbraw/zinc/12/88/83/758128883.db2.gz DPALKFSLCIHFDX-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001049152677 758143195 /nfs/dbraw/zinc/14/31/95/758143195.db2.gz HRRURFXBYXYSSD-MPGHIAIKSA-N 1 1 335.448 0.469 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC001049154863 758152933 /nfs/dbraw/zinc/15/29/33/758152933.db2.gz OURYWXQFVNNHAD-TXEJJXNPSA-N 1 1 340.811 0.071 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(C)no3)CCC[C@@H]12 ZINC001107274041 758162387 /nfs/dbraw/zinc/16/23/87/758162387.db2.gz MFRMKIOIBCMGLL-CRAIPNDOSA-N 1 1 344.415 0.707 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccn[nH]3)CCC[C@@H]12 ZINC001107283658 758188969 /nfs/dbraw/zinc/18/89/69/758188969.db2.gz JXFMZOVILYDMSU-RHSMWYFYSA-N 1 1 331.420 0.686 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)OCC)CCC[C@@H]12 ZINC001107297719 758197284 /nfs/dbraw/zinc/19/72/84/758197284.db2.gz ALYJQLFUJDILIP-HDMKZQKVSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cn[nH]c3)CCC[C@@H]12 ZINC001107293417 758212977 /nfs/dbraw/zinc/21/29/77/758212977.db2.gz DIOXDOFXSWEUTR-RHSMWYFYSA-N 1 1 329.404 0.134 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)cn1 ZINC001049177728 758231343 /nfs/dbraw/zinc/23/13/43/758231343.db2.gz KSQYBZGWCBAYDF-UXLLHSPISA-N 1 1 338.411 0.345 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049188483 758252907 /nfs/dbraw/zinc/25/29/07/758252907.db2.gz ARTBLHKWCVFYJX-GUTXKFCHSA-N 1 1 327.450 0.035 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001049189871 758255435 /nfs/dbraw/zinc/25/54/35/758255435.db2.gz AISCAIUJKFSZJA-HDICACEKSA-N 1 1 349.438 0.929 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001049189871 758255442 /nfs/dbraw/zinc/25/54/42/758255442.db2.gz AISCAIUJKFSZJA-HDICACEKSA-N 1 1 349.438 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(COC)CC1 ZINC001077124655 758287383 /nfs/dbraw/zinc/28/73/83/758287383.db2.gz AYFIQVZVJUZTED-GJZGRUSLSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(COC)CC1 ZINC001077124655 758287391 /nfs/dbraw/zinc/28/73/91/758287391.db2.gz AYFIQVZVJUZTED-GJZGRUSLSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C)CCOC ZINC001077125325 758289744 /nfs/dbraw/zinc/28/97/44/758289744.db2.gz RTIMVYFHYDRTEZ-JYJNAYRXSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C)CCOC ZINC001077125325 758289751 /nfs/dbraw/zinc/28/97/51/758289751.db2.gz RTIMVYFHYDRTEZ-JYJNAYRXSA-N 1 1 337.464 0.768 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cscn3)CCC[C@@H]12 ZINC001107327656 758294768 /nfs/dbraw/zinc/29/47/68/758294768.db2.gz ACXMSRYPFRMGBG-CZUORRHYSA-N 1 1 347.444 0.757 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107336090 758318158 /nfs/dbraw/zinc/31/81/58/758318158.db2.gz HGJSORLRKABBRI-CKEIUWERSA-N 1 1 333.436 0.532 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C[C@H]2C1 ZINC001049210372 758318235 /nfs/dbraw/zinc/31/82/35/758318235.db2.gz WDHQTVJAFAWFIA-HRCADAONSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nccs2)C1 ZINC001051660077 762617777 /nfs/dbraw/zinc/61/77/77/762617777.db2.gz KIQUYNZHZHQSEQ-GJZGRUSLSA-N 1 1 348.472 0.558 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001022159911 758353650 /nfs/dbraw/zinc/35/36/50/758353650.db2.gz NGSQHSLKMAYPJN-DLBZAZTESA-N 1 1 345.443 0.181 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001077153008 758361638 /nfs/dbraw/zinc/36/16/38/758361638.db2.gz YEBHDTBZQJQSAZ-NVXWUHKLSA-N 1 1 334.464 0.825 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4ccc[nH]4)C[C@H]3C2)C1=O ZINC001049225844 758379860 /nfs/dbraw/zinc/37/98/60/758379860.db2.gz WBXPACYHWMAOQB-HLLBOEOZSA-N 1 1 342.443 0.734 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCNC(=O)C3)CCC[C@@H]12 ZINC001107356701 758381420 /nfs/dbraw/zinc/38/14/20/758381420.db2.gz OSUQFEBDGINBNL-GPMSIDNRSA-N 1 1 347.459 0.523 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3ccoc3)CCC[C@@H]12 ZINC001107372513 758396461 /nfs/dbraw/zinc/39/64/61/758396461.db2.gz KDXZBJCOUNWPOW-CRAIPNDOSA-N 1 1 344.415 0.823 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCC=C)CC2 ZINC001107373889 758399282 /nfs/dbraw/zinc/39/92/82/758399282.db2.gz FCCALBVDWVXFDT-VQIMIIECSA-N 1 1 347.459 0.689 20 30 ECEDMO N#Cc1nccc(NC/C=C/CNC(=O)[C@@H]2CCCc3[nH+]ccn32)n1 ZINC001107380683 758423562 /nfs/dbraw/zinc/42/35/62/758423562.db2.gz ZLANSRFJHXKOBE-AORQRIRUSA-N 1 1 337.387 0.629 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001049246053 758424162 /nfs/dbraw/zinc/42/41/62/758424162.db2.gz JNBHFRMUFQOGML-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107381960 758426536 /nfs/dbraw/zinc/42/65/36/758426536.db2.gz XHQWOWPMCWGRGS-KBAYOESNSA-N 1 1 347.463 0.966 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC001049249530 758433846 /nfs/dbraw/zinc/43/38/46/758433846.db2.gz IANMEBIKVWUFPU-IRXDYDNUSA-N 1 1 349.475 0.694 20 30 ECEDMO Cn1[nH]c(C[N@@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)nc1=O ZINC001107398363 758465236 /nfs/dbraw/zinc/46/52/36/758465236.db2.gz QMLUDNKXFLQYDD-RDTXWAMCSA-N 1 1 343.431 0.383 20 30 ECEDMO Cn1[nH]c(C[N@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)nc1=O ZINC001107398363 758465241 /nfs/dbraw/zinc/46/52/41/758465241.db2.gz QMLUDNKXFLQYDD-RDTXWAMCSA-N 1 1 343.431 0.383 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3nnn(C(C)(C)C)n3)CCC[C@@H]12 ZINC001107416955 758501094 /nfs/dbraw/zinc/50/10/94/758501094.db2.gz WPXMMVZILAQXMV-RDTXWAMCSA-N 1 1 344.463 0.965 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001049361198 758566578 /nfs/dbraw/zinc/56/65/78/758566578.db2.gz RMYJMWYGMMCLND-GJZGRUSLSA-N 1 1 334.420 0.578 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cnc[nH]c3=O)CCC[C@@H]12 ZINC001107445422 758583442 /nfs/dbraw/zinc/58/34/42/758583442.db2.gz XNXLGVJGYMHDJV-CRAIPNDOSA-N 1 1 344.415 0.806 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccn3c2=O)C1 ZINC001077242107 758588689 /nfs/dbraw/zinc/58/86/89/758588689.db2.gz CWIVOKAEJVVPPG-ZIAGYGMSSA-N 1 1 328.372 0.046 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnn(C)c1OC ZINC001089896015 758614990 /nfs/dbraw/zinc/61/49/90/758614990.db2.gz JDPCDUZJVSHSRX-XZDPQHSOSA-N 1 1 328.416 0.844 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001077261951 758622535 /nfs/dbraw/zinc/62/25/35/758622535.db2.gz UGXICXCVWZOVJD-HUUCEWRRSA-N 1 1 328.372 0.686 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001077281141 758679623 /nfs/dbraw/zinc/67/96/23/758679623.db2.gz XMWJEJFMRBIGEY-CHWSQXEVSA-N 1 1 346.391 0.061 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001049450228 758723584 /nfs/dbraw/zinc/72/35/84/758723584.db2.gz SNOGNSHSDKAHJC-MPGHIAIKSA-N 1 1 348.447 0.824 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001049450508 758725816 /nfs/dbraw/zinc/72/58/16/758725816.db2.gz ZJSOAUIMTBEJCR-MPGHIAIKSA-N 1 1 339.480 0.961 20 30 ECEDMO C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000996765926 758765529 /nfs/dbraw/zinc/76/55/29/758765529.db2.gz MMOOQPSLVVPKSL-ABHNRTSZSA-N 1 1 332.492 0.759 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC001107499124 758766797 /nfs/dbraw/zinc/76/67/97/758766797.db2.gz ATHDMNCLFGFGQK-VQIMIIECSA-N 1 1 348.491 0.745 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC(N)=O)cc1 ZINC001032323552 758768540 /nfs/dbraw/zinc/76/85/40/758768540.db2.gz HBHAXLSFYWIZCQ-KBPBESRZSA-N 1 1 328.372 0.249 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC(N)=O)cc1 ZINC001032323552 758768544 /nfs/dbraw/zinc/76/85/44/758768544.db2.gz HBHAXLSFYWIZCQ-KBPBESRZSA-N 1 1 328.372 0.249 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049506946 758821825 /nfs/dbraw/zinc/82/18/25/758821825.db2.gz CMAYIMYZKYHSSE-UONOGXRCSA-N 1 1 327.450 0.273 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(OCC(N)=O)c1 ZINC001049507361 758823297 /nfs/dbraw/zinc/82/32/97/758823297.db2.gz HOEJQGFEJDVSML-IRXDYDNUSA-N 1 1 341.411 0.863 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001049528072 758865077 /nfs/dbraw/zinc/86/50/77/758865077.db2.gz BQYWBMHBXMCVQQ-ZACQAIPSSA-N 1 1 346.475 0.238 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001077347923 758875971 /nfs/dbraw/zinc/87/59/71/758875971.db2.gz POUAQWRUEVXDAU-HZPDHXFCSA-N 1 1 327.384 0.370 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001077347923 758875983 /nfs/dbraw/zinc/87/59/83/758875983.db2.gz POUAQWRUEVXDAU-HZPDHXFCSA-N 1 1 327.384 0.370 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001049549558 758909899 /nfs/dbraw/zinc/90/98/99/758909899.db2.gz YVAGOUUHMXBWGW-MPGHIAIKSA-N 1 1 339.480 0.961 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001049560096 758922637 /nfs/dbraw/zinc/92/26/37/758922637.db2.gz ZUYKUHWMJSJRIG-BFHYXJOUSA-N 1 1 331.420 0.797 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001049583831 758962306 /nfs/dbraw/zinc/96/23/06/758962306.db2.gz ZUKDBZNWOBIJCX-ARFHVFGLSA-N 1 1 332.448 0.866 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049594930 758974493 /nfs/dbraw/zinc/97/44/93/758974493.db2.gz MXSUQMZEORILGA-TWMKSMIVSA-N 1 1 347.459 0.888 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)c(F)c1 ZINC001049690042 759103588 /nfs/dbraw/zinc/10/35/88/759103588.db2.gz FQWPQNZTAGPGFQ-GJZGRUSLSA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)c(F)c1 ZINC001049690042 759103593 /nfs/dbraw/zinc/10/35/93/759103593.db2.gz FQWPQNZTAGPGFQ-GJZGRUSLSA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)ccc1F ZINC001049692106 759106357 /nfs/dbraw/zinc/10/63/57/759106357.db2.gz PZRMKHHVGVJNAT-GJZGRUSLSA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)ccc1F ZINC001049692106 759106363 /nfs/dbraw/zinc/10/63/63/759106363.db2.gz PZRMKHHVGVJNAT-GJZGRUSLSA-N 1 1 330.363 0.748 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001049767356 759180445 /nfs/dbraw/zinc/18/04/45/759180445.db2.gz FWYGUAISOHFXDL-QWHCGFSZSA-N 1 1 348.403 0.048 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(N)=O)nn1 ZINC001049778342 759193290 /nfs/dbraw/zinc/19/32/90/759193290.db2.gz VMCRFFYMULVOPN-KBPBESRZSA-N 1 1 332.408 0.018 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(N)=O)nn1 ZINC001049778342 759193294 /nfs/dbraw/zinc/19/32/94/759193294.db2.gz VMCRFFYMULVOPN-KBPBESRZSA-N 1 1 332.408 0.018 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(N)=O)nn1 ZINC001049778344 759194042 /nfs/dbraw/zinc/19/40/42/759194042.db2.gz VMCRFFYMULVOPN-KGLIPLIRSA-N 1 1 332.408 0.018 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(N)=O)nn1 ZINC001049778344 759194044 /nfs/dbraw/zinc/19/40/44/759194044.db2.gz VMCRFFYMULVOPN-KGLIPLIRSA-N 1 1 332.408 0.018 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001049780517 759196966 /nfs/dbraw/zinc/19/69/66/759196966.db2.gz ICIBHRKATDWJQP-KFWWJZLASA-N 1 1 341.477 0.662 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049787293 759205953 /nfs/dbraw/zinc/20/59/53/759205953.db2.gz GVBJHCLLYDODNI-HUUCEWRRSA-N 1 1 346.431 0.568 20 30 ECEDMO C=CCCC(=O)N1CCC(OC2C[NH+](C[C@H](O)COC)C2)CC1 ZINC001105697282 759247143 /nfs/dbraw/zinc/24/71/43/759247143.db2.gz SCCJETYRHUMKFR-AWEZNQCLSA-N 1 1 326.437 0.652 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cncn2)n1 ZINC001049818500 759253066 /nfs/dbraw/zinc/25/30/66/759253066.db2.gz RXOPTHDTLWBTCM-JKSUJKDBSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001049833049 759269462 /nfs/dbraw/zinc/26/94/62/759269462.db2.gz ATDAKPAMCGKDJK-FVQBIDKESA-N 1 1 329.404 0.552 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049832345 759269941 /nfs/dbraw/zinc/26/99/41/759269941.db2.gz UYFGVIHXPFYRNO-UONOGXRCSA-N 1 1 332.404 0.017 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(C2CCOCC2)nn1 ZINC001049835817 759271166 /nfs/dbraw/zinc/27/11/66/759271166.db2.gz SMNLZWAWNYUFDU-IAGOWNOFSA-N 1 1 343.431 0.942 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H](O)C1 ZINC001083608849 759282747 /nfs/dbraw/zinc/28/27/47/759282747.db2.gz QQQJYIYYOGGHBI-KGLIPLIRSA-N 1 1 346.387 0.154 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049846155 759293285 /nfs/dbraw/zinc/29/32/85/759293285.db2.gz DPITVHIMPRZKNH-ZIAGYGMSSA-N 1 1 340.387 0.120 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001049850338 759299967 /nfs/dbraw/zinc/29/99/67/759299967.db2.gz YTGZNDHGGKBFFO-HZPDHXFCSA-N 1 1 337.379 0.882 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001047633814 759357220 /nfs/dbraw/zinc/35/72/20/759357220.db2.gz NEZWZDZZLXIGRX-HOTGVXAUSA-N 1 1 341.415 0.487 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCc3sccc3C2)C1 ZINC001047635168 759361365 /nfs/dbraw/zinc/36/13/65/759361365.db2.gz BKINKHOYYQQGJO-HOTGVXAUSA-N 1 1 347.484 0.633 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCc3sccc3C2)C1 ZINC001047635168 759361375 /nfs/dbraw/zinc/36/13/75/759361375.db2.gz BKINKHOYYQQGJO-HOTGVXAUSA-N 1 1 347.484 0.633 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001047637492 759369281 /nfs/dbraw/zinc/36/92/81/759369281.db2.gz ZDKBDBUTTYVNSZ-KKUMJFAQSA-N 1 1 333.436 0.229 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001047637483 759369588 /nfs/dbraw/zinc/36/95/88/759369588.db2.gz YXXFAYRYPYDVIV-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001047637483 759369599 /nfs/dbraw/zinc/36/95/99/759369599.db2.gz YXXFAYRYPYDVIV-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001049898353 759375184 /nfs/dbraw/zinc/37/51/84/759375184.db2.gz ATYFSRGJXQVONH-MELADBBJSA-N 1 1 327.450 0.320 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047639533 759379788 /nfs/dbraw/zinc/37/97/88/759379788.db2.gz XCBXWDGQFCUANQ-PMPSAXMXSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047639533 759379799 /nfs/dbraw/zinc/37/97/99/759379799.db2.gz XCBXWDGQFCUANQ-PMPSAXMXSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1COCCN1C(C)=O ZINC001049904800 759387047 /nfs/dbraw/zinc/38/70/47/759387047.db2.gz RTMQMZPYADGWGE-ZACQAIPSSA-N 1 1 335.448 0.875 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)c(NC(C)=O)c2)C1 ZINC001047644958 759394379 /nfs/dbraw/zinc/39/43/79/759394379.db2.gz WYIHKIJZYDBYSO-IRXDYDNUSA-N 1 1 347.390 0.925 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)c(NC(C)=O)c2)C1 ZINC001047644958 759394388 /nfs/dbraw/zinc/39/43/88/759394388.db2.gz WYIHKIJZYDBYSO-IRXDYDNUSA-N 1 1 347.390 0.925 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCCO)CC1 ZINC001049921087 759406021 /nfs/dbraw/zinc/40/60/21/759406021.db2.gz UZKRWGPGEIVKKK-ROUUACIJSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCCO)CC1 ZINC001049921087 759406024 /nfs/dbraw/zinc/40/60/24/759406024.db2.gz UZKRWGPGEIVKKK-ROUUACIJSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001047648720 759407063 /nfs/dbraw/zinc/40/70/63/759407063.db2.gz ACBWVJYXCJWKTA-ULQDDVLXSA-N 1 1 328.412 0.825 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001047650531 759411326 /nfs/dbraw/zinc/41/13/26/759411326.db2.gz ZWOYSBFBILTHDI-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001047650531 759411332 /nfs/dbraw/zinc/41/13/32/759411332.db2.gz ZWOYSBFBILTHDI-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047793190 759528936 /nfs/dbraw/zinc/52/89/36/759528936.db2.gz GUPWWACQCXCVMF-GHMZBOCLSA-N 1 1 328.380 0.050 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCCN(C(=O)CC(N)=O)[C@@H]3C2)c1 ZINC001050003534 759531987 /nfs/dbraw/zinc/53/19/87/759531987.db2.gz GJPWXSDXWQDAEI-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCCN(C(=O)CC(N)=O)[C@@H]3C2)c1 ZINC001050003534 759531996 /nfs/dbraw/zinc/53/19/96/759531996.db2.gz GJPWXSDXWQDAEI-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)CCC1=O ZINC001032208352 759659477 /nfs/dbraw/zinc/65/94/77/759659477.db2.gz VGSOPTODMUOUFL-KRWDZBQOSA-N 1 1 340.427 0.975 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cn[nH]n4)[C@@H]3C2)C1=O ZINC001050083663 759673851 /nfs/dbraw/zinc/67/38/51/759673851.db2.gz MGMNKBGURFUEBS-NWANDNLSSA-N 1 1 344.419 0.128 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050096896 759694718 /nfs/dbraw/zinc/69/47/18/759694718.db2.gz AUBGTUMXMZVVRX-KGLIPLIRSA-N 1 1 340.493 0.938 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)CN(C)c1ccncc1C#N ZINC001125110582 759701520 /nfs/dbraw/zinc/70/15/20/759701520.db2.gz JGAXCAHTPPGXNV-OAHLLOKOSA-N 1 1 342.403 0.414 20 30 ECEDMO Cn1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)n(C)c1=O ZINC001032211654 759716667 /nfs/dbraw/zinc/71/66/67/759716667.db2.gz VOQFNEJSTDQLBA-UHFFFAOYSA-N 1 1 338.411 0.437 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]Cc3nnn(C)n3)C2)c1 ZINC001047973760 759758841 /nfs/dbraw/zinc/75/88/41/759758841.db2.gz VWZDPAKJZLLKSQ-TZMCWYRMSA-N 1 1 339.403 0.227 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC001050125679 759759445 /nfs/dbraw/zinc/75/94/45/759759445.db2.gz DSGQZKJMJLOZOH-RLFYNMQTSA-N 1 1 341.459 0.866 20 30 ECEDMO CN(C)c1noc(C[NH2+]C2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC000991221794 759819233 /nfs/dbraw/zinc/81/92/33/759819233.db2.gz OZCHTAWJSSIUIW-UHFFFAOYSA-N 1 1 343.391 0.730 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)nn1 ZINC001050160892 759827739 /nfs/dbraw/zinc/82/77/39/759827739.db2.gz YRMRZQOFWPSHCD-VNHYZAJKSA-N 1 1 346.435 0.264 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)nn1 ZINC001050160892 759827750 /nfs/dbraw/zinc/82/77/50/759827750.db2.gz YRMRZQOFWPSHCD-VNHYZAJKSA-N 1 1 346.435 0.264 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001050163521 759835481 /nfs/dbraw/zinc/83/54/81/759835481.db2.gz MTWWOVCIPFNGFS-MJBXVCDLSA-N 1 1 327.450 0.129 20 30 ECEDMO Cc1cc(NC/C=C\CNC(=O)[C@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001107094220 759901922 /nfs/dbraw/zinc/90/19/22/759901922.db2.gz XDQSQPFYJLCIEA-MJSXRHKHSA-N 1 1 329.404 0.099 20 30 ECEDMO Cc1cc(NC/C=C\CNC(=O)[C@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001107094220 759901924 /nfs/dbraw/zinc/90/19/24/759901924.db2.gz XDQSQPFYJLCIEA-MJSXRHKHSA-N 1 1 329.404 0.099 20 30 ECEDMO Cc1cc(C#N)nc(NC/C=C\CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001107093266 759907814 /nfs/dbraw/zinc/90/78/14/759907814.db2.gz COLIDDGRNBOWGG-VQTKUKTRSA-N 1 1 330.392 0.072 20 30 ECEDMO Cc1cc(C#N)nc(NC/C=C\CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001107093266 759907821 /nfs/dbraw/zinc/90/78/21/759907821.db2.gz COLIDDGRNBOWGG-VQTKUKTRSA-N 1 1 330.392 0.072 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)NCc3cnon3)C2)CC1 ZINC001048070031 759912602 /nfs/dbraw/zinc/91/26/02/759912602.db2.gz YOSUCBDRJZNJAY-GDBMZVCRSA-N 1 1 345.447 0.741 20 30 ECEDMO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC000995647551 759930972 /nfs/dbraw/zinc/93/09/72/759930972.db2.gz GHBDVWNJQDQOMX-CYBMUJFWSA-N 1 1 327.392 0.655 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ncn2)[C@@H](O)C1 ZINC001083636576 759979098 /nfs/dbraw/zinc/97/90/98/759979098.db2.gz BYRRDMWDLPQGCC-MNOVXSKESA-N 1 1 330.310 0.846 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ncn2)[C@@H](O)C1 ZINC001083636576 759979102 /nfs/dbraw/zinc/97/91/02/759979102.db2.gz BYRRDMWDLPQGCC-MNOVXSKESA-N 1 1 330.310 0.846 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC001127031499 759997062 /nfs/dbraw/zinc/99/70/62/759997062.db2.gz FHHSLQVWPZXVMZ-UHFFFAOYSA-N 1 1 341.415 0.728 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001017390529 767922622 /nfs/dbraw/zinc/92/26/22/767922622.db2.gz ZBDPZMLBTCTRAY-MRXNPFEDSA-N 1 1 341.415 0.869 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnccn2)C1=O ZINC001032257055 760153903 /nfs/dbraw/zinc/15/39/03/760153903.db2.gz HORIXPAXMKDOFD-KCQAQPDRSA-N 1 1 327.388 0.162 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnccn2)C1=O ZINC001032257055 760153910 /nfs/dbraw/zinc/15/39/10/760153910.db2.gz HORIXPAXMKDOFD-KCQAQPDRSA-N 1 1 327.388 0.162 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2sc(C)nc2C)C1 ZINC000991310911 760248380 /nfs/dbraw/zinc/24/83/80/760248380.db2.gz MVIWCHZXLBYPQC-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2sc(C)nc2C)C1 ZINC000991310911 760248384 /nfs/dbraw/zinc/24/83/84/760248384.db2.gz MVIWCHZXLBYPQC-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNc1ccnc(C#N)n1 ZINC001060223233 760373078 /nfs/dbraw/zinc/37/30/78/760373078.db2.gz PZXGPYHFIBENAT-UONOGXRCSA-N 1 1 328.420 0.657 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 ZINC001127717508 760477648 /nfs/dbraw/zinc/47/76/48/760477648.db2.gz NNENZZOYCUOEAO-UHFFFAOYSA-N 1 1 337.387 0.806 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054425657 767970809 /nfs/dbraw/zinc/97/08/09/767970809.db2.gz NJWJDDKOMWFLQZ-QLFBSQMISA-N 1 1 342.447 0.618 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)nn1 ZINC001048570435 760730817 /nfs/dbraw/zinc/73/08/17/760730817.db2.gz NEQHQOYHKCZJJG-QDMKHBRRSA-N 1 1 333.436 0.819 20 30 ECEDMO C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)CC1 ZINC001050727932 760738972 /nfs/dbraw/zinc/73/89/72/760738972.db2.gz NQMXXYXQELVFNF-AWEZNQCLSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)CC1 ZINC001050727932 760738981 /nfs/dbraw/zinc/73/89/81/760738981.db2.gz NQMXXYXQELVFNF-AWEZNQCLSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)CCC)C1 ZINC001048576245 760744851 /nfs/dbraw/zinc/74/48/51/760744851.db2.gz YKICQWUEJURHNM-QZWWFDLISA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)CCC)C1 ZINC001048576245 760744855 /nfs/dbraw/zinc/74/48/55/760744855.db2.gz YKICQWUEJURHNM-QZWWFDLISA-N 1 1 349.475 0.550 20 30 ECEDMO CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@@H]1NCC#N ZINC000995900779 760746984 /nfs/dbraw/zinc/74/69/84/760746984.db2.gz ZFCJKHMKMXPRRF-CVEARBPZSA-N 1 1 334.464 0.980 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001048589266 760763642 /nfs/dbraw/zinc/76/36/42/760763642.db2.gz FNBNRQVHEDNPRV-YYIAUSFCSA-N 1 1 335.448 0.779 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]([C@H](C)NC(=O)CSCC#N)C1 ZINC001050770432 760812450 /nfs/dbraw/zinc/81/24/50/760812450.db2.gz ASZGJDFPRIKDOM-JSGCOSHPSA-N 1 1 349.460 0.802 20 30 ECEDMO C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001050772646 760819766 /nfs/dbraw/zinc/81/97/66/760819766.db2.gz NLBFYTKFJFSCNO-HIFRSBDPSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CCCC)[C@@H](O)C1 ZINC001083670703 760913422 /nfs/dbraw/zinc/91/34/22/760913422.db2.gz KTHPXXJYDPWLGK-OAGGEKHMSA-N 1 1 325.453 0.225 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COc3cc(C)c(C)cc32)[C@@H](O)C1 ZINC001083671509 760922141 /nfs/dbraw/zinc/92/21/41/760922141.db2.gz QHLRGZNCUVLPLZ-ZACQAIPSSA-N 1 1 328.412 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)SC)C[C@H]3C2)C1=O ZINC001048693956 760953943 /nfs/dbraw/zinc/95/39/43/760953943.db2.gz CSBIWLYAHYMIQK-KBXIAJHMSA-N 1 1 337.489 0.915 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 ZINC001048694408 760955269 /nfs/dbraw/zinc/95/52/69/760955269.db2.gz NDDBGMIPFZLNDF-FRRDWIJNSA-N 1 1 345.237 0.701 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 ZINC001048694408 760955277 /nfs/dbraw/zinc/95/52/77/760955277.db2.gz NDDBGMIPFZLNDF-FRRDWIJNSA-N 1 1 345.237 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C)n[nH]4)C[C@H]3C2)C1=O ZINC001048703699 760977727 /nfs/dbraw/zinc/97/77/27/760977727.db2.gz BYZSHVZWJMNQDS-LZWOXQAQSA-N 1 1 343.431 0.509 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)c4cc(C)[nH]n4)C[C@H]3C2)C1=O ZINC001048703699 760977736 /nfs/dbraw/zinc/97/77/36/760977736.db2.gz BYZSHVZWJMNQDS-LZWOXQAQSA-N 1 1 343.431 0.509 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C)[nH]n4)C[C@H]3C2)C1=O ZINC001048703699 760977742 /nfs/dbraw/zinc/97/77/42/760977742.db2.gz BYZSHVZWJMNQDS-LZWOXQAQSA-N 1 1 343.431 0.509 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1CC#Cc1ccccc1 ZINC001050848379 760992422 /nfs/dbraw/zinc/99/24/22/760992422.db2.gz HPDKILYEPQGDMI-RTBURBONSA-N 1 1 341.455 0.949 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](CC)OC)C[C@H]3C2)C1=O ZINC001048715713 761008825 /nfs/dbraw/zinc/00/88/25/761008825.db2.gz OMXVMJITMHYUCE-FZKCQIBNSA-N 1 1 335.448 0.589 20 30 ECEDMO N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001050917517 761138822 /nfs/dbraw/zinc/13/88/22/761138822.db2.gz MNRAUGXKNYWDDA-WBVHZDCISA-N 1 1 334.464 0.982 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC000991481756 761150972 /nfs/dbraw/zinc/15/09/72/761150972.db2.gz JGLFZHSBVYXREV-KGLIPLIRSA-N 1 1 334.420 0.482 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1CNCC#N ZINC001106247090 768011392 /nfs/dbraw/zinc/01/13/92/768011392.db2.gz VDOHSBYNFBKHFN-BFYDXBDKSA-N 1 1 334.464 0.837 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001050951720 761205098 /nfs/dbraw/zinc/20/50/98/761205098.db2.gz JPQMAIPEURIHCT-LBPRGKRZSA-N 1 1 345.403 0.681 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001050951720 761205101 /nfs/dbraw/zinc/20/51/01/761205101.db2.gz JPQMAIPEURIHCT-LBPRGKRZSA-N 1 1 345.403 0.681 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001050953313 761210470 /nfs/dbraw/zinc/21/04/70/761210470.db2.gz ZGQLUVHIZHWDIS-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001050954124 761213505 /nfs/dbraw/zinc/21/35/05/761213505.db2.gz QYAHIFZLCOOBGT-ROUUACIJSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cccnc1 ZINC001050963384 761232566 /nfs/dbraw/zinc/23/25/66/761232566.db2.gz YJDSFZHMAFBZKX-ROUUACIJSA-N 1 1 342.443 0.496 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cccnc1 ZINC001050963384 761232570 /nfs/dbraw/zinc/23/25/70/761232570.db2.gz YJDSFZHMAFBZKX-ROUUACIJSA-N 1 1 342.443 0.496 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001050990199 761283939 /nfs/dbraw/zinc/28/39/39/761283939.db2.gz AAKACTGZQNJDHZ-ZIAGYGMSSA-N 1 1 349.435 0.329 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001050990199 761283940 /nfs/dbraw/zinc/28/39/40/761283940.db2.gz AAKACTGZQNJDHZ-ZIAGYGMSSA-N 1 1 349.435 0.329 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)[nH]1 ZINC000991523857 761362651 /nfs/dbraw/zinc/36/26/51/761362651.db2.gz ICBQDLJDOZPYHK-DOMZBBRYSA-N 1 1 341.415 0.701 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)C3(C(=O)NC)CCC3)CC2)C1 ZINC001105733988 761408477 /nfs/dbraw/zinc/40/84/77/761408477.db2.gz UQDUQVAFSVQSEQ-UHFFFAOYSA-N 1 1 347.459 0.618 20 30 ECEDMO COCC#CCN1CC(OC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001105734090 761409704 /nfs/dbraw/zinc/40/97/04/761409704.db2.gz YOQCWZXJZOWPIL-INIZCTEOSA-N 1 1 349.475 0.280 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)n1C ZINC001054549899 768039057 /nfs/dbraw/zinc/03/90/57/768039057.db2.gz RCXIDHQWZSMBIV-FZMZJTMJSA-N 1 1 341.419 0.828 20 30 ECEDMO C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001051111106 761509076 /nfs/dbraw/zinc/50/90/76/761509076.db2.gz NCDCWXXQCXYUQY-RDJZCZTQSA-N 1 1 330.432 0.594 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1snc(Cl)c1C#N ZINC001105754481 761531439 /nfs/dbraw/zinc/53/14/39/761531439.db2.gz GDANDSRLKMXUKH-WPRPVWTQSA-N 1 1 343.840 0.651 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054571171 768045651 /nfs/dbraw/zinc/04/56/51/768045651.db2.gz LYRJWXKKDDIGHG-QLFBSQMISA-N 1 1 342.447 0.761 20 30 ECEDMO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054587619 768055352 /nfs/dbraw/zinc/05/53/52/768055352.db2.gz MVLMQSFSPYORPN-HZMBPMFUSA-N 1 1 340.391 0.458 20 30 ECEDMO C#CCCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001051190703 761653423 /nfs/dbraw/zinc/65/34/23/761653423.db2.gz XSDFMENHSMVCSS-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001051205965 761685529 /nfs/dbraw/zinc/68/55/29/761685529.db2.gz NMWOHDFXVYGBIA-LSDHHAIUSA-N 1 1 334.420 0.747 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([C@H](C)NC(=O)C#CC2CC2)C1 ZINC001051207077 761687878 /nfs/dbraw/zinc/68/78/78/761687878.db2.gz VKMZGVLIOWBZOM-GOEBONIOSA-N 1 1 328.416 0.958 20 30 ECEDMO C=C(Br)CN1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001051240626 761743024 /nfs/dbraw/zinc/74/30/24/761743024.db2.gz IFTBBUKMLJMDCJ-CHWSQXEVSA-N 1 1 346.269 0.664 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001051249476 761762127 /nfs/dbraw/zinc/76/21/27/761762127.db2.gz GEKRGOCXDHHHAC-JKSUJKDBSA-N 1 1 339.436 0.017 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001051249476 761762131 /nfs/dbraw/zinc/76/21/31/761762131.db2.gz GEKRGOCXDHHHAC-JKSUJKDBSA-N 1 1 339.436 0.017 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001051252267 761767458 /nfs/dbraw/zinc/76/74/58/761767458.db2.gz CKMMOEKMVKKALD-CVEARBPZSA-N 1 1 347.463 0.932 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001051252267 761767462 /nfs/dbraw/zinc/76/74/62/761767462.db2.gz CKMMOEKMVKKALD-CVEARBPZSA-N 1 1 347.463 0.932 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3COCCN3C)cccc2C1 ZINC001051284972 761825041 /nfs/dbraw/zinc/82/50/41/761825041.db2.gz RJZSMJQJJCGOJT-SFHVURJKSA-N 1 1 327.428 0.625 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001054603283 768072979 /nfs/dbraw/zinc/07/29/79/768072979.db2.gz LUSZWWKGIOODBF-SMDDNHRTSA-N 1 1 342.407 0.533 20 30 ECEDMO C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001051314225 761872820 /nfs/dbraw/zinc/87/28/20/761872820.db2.gz KPYZTWKQDGJQNI-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1=O ZINC001014615807 762907959 /nfs/dbraw/zinc/90/79/59/762907959.db2.gz JMAIGVFXUHFBGO-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1=O ZINC001014615807 762907961 /nfs/dbraw/zinc/90/79/61/762907961.db2.gz JMAIGVFXUHFBGO-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1=O ZINC001014615960 762908638 /nfs/dbraw/zinc/90/86/38/762908638.db2.gz KEWREQIMGABDAA-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO Cn1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)cc1=O ZINC001017540224 768096495 /nfs/dbraw/zinc/09/64/95/768096495.db2.gz JNQQZOPDYDPRFY-CALCHBBNSA-N 1 1 325.412 0.974 20 30 ECEDMO Cn1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)cc1=O ZINC001017540224 768096500 /nfs/dbraw/zinc/09/65/00/768096500.db2.gz JNQQZOPDYDPRFY-CALCHBBNSA-N 1 1 325.412 0.974 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1C ZINC001105945732 762997109 /nfs/dbraw/zinc/99/71/09/762997109.db2.gz CMEMMUUPBFQGCW-YRGRVCCFSA-N 1 1 333.436 0.707 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)cc1F ZINC001014711618 763026965 /nfs/dbraw/zinc/02/69/65/763026965.db2.gz OUMWUOIJGCSYPF-DZGCQCFKSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)cc1F ZINC001014711618 763026969 /nfs/dbraw/zinc/02/69/69/763026969.db2.gz OUMWUOIJGCSYPF-DZGCQCFKSA-N 1 1 344.390 0.914 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H](C[NH2+]Cc3ncnn3CC)C2)C1 ZINC001051815007 763029354 /nfs/dbraw/zinc/02/93/54/763029354.db2.gz OBEKXRXATIONEY-CQSZACIVSA-N 1 1 333.436 0.971 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncccn3)C2)c1 ZINC001051815806 763030853 /nfs/dbraw/zinc/03/08/53/763030853.db2.gz CCRPFXNIJWGTSD-MRXNPFEDSA-N 1 1 337.383 0.484 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001014725692 763042938 /nfs/dbraw/zinc/04/29/38/763042938.db2.gz QMLDWHJPPLIJDO-HZPDHXFCSA-N 1 1 343.431 0.736 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001046778033 763111254 /nfs/dbraw/zinc/11/12/54/763111254.db2.gz AEQGVTCJACROLC-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001046778033 763111256 /nfs/dbraw/zinc/11/12/56/763111256.db2.gz AEQGVTCJACROLC-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1cc(NC[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C#N)cn1 ZINC001105972834 763136350 /nfs/dbraw/zinc/13/63/50/763136350.db2.gz QOKIOBAMGJAPCY-RDJZCZTQSA-N 1 1 345.447 0.445 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001105973537 763141241 /nfs/dbraw/zinc/14/12/41/763141241.db2.gz YXCZWNBLXHXMEK-KGLIPLIRSA-N 1 1 332.408 0.110 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C)n1 ZINC001089844766 763147651 /nfs/dbraw/zinc/14/76/51/763147651.db2.gz BAXDSOJEIASDMC-RVMXOQNASA-N 1 1 336.827 0.745 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001051867782 763153948 /nfs/dbraw/zinc/15/39/48/763153948.db2.gz OQTZWTXROSRXBR-YCPHGPKFSA-N 1 1 349.435 0.113 20 30 ECEDMO Cc1cc(NC2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001051878057 763187398 /nfs/dbraw/zinc/18/73/98/763187398.db2.gz HHXICTRJMJLOOX-PUJMQQBBSA-N 1 1 343.431 0.321 20 30 ECEDMO Cc1cc(NC2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001051878057 763187406 /nfs/dbraw/zinc/18/74/06/763187406.db2.gz HHXICTRJMJLOOX-PUJMQQBBSA-N 1 1 343.431 0.321 20 30 ECEDMO Cc1cc(C#N)nc(NC2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001051878782 763189624 /nfs/dbraw/zinc/18/96/24/763189624.db2.gz OKFUFODUUQELMU-SSDMNJCBSA-N 1 1 344.419 0.294 20 30 ECEDMO Cc1cc(C#N)nc(NC2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001051878782 763189627 /nfs/dbraw/zinc/18/96/27/763189627.db2.gz OKFUFODUUQELMU-SSDMNJCBSA-N 1 1 344.419 0.294 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001105983211 763220378 /nfs/dbraw/zinc/22/03/78/763220378.db2.gz YXVJVGAEIGKSIL-LSDHHAIUSA-N 1 1 346.435 0.500 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN(Cc3cnn(C)c3)C2)CC1 ZINC001046850558 763231577 /nfs/dbraw/zinc/23/15/77/763231577.db2.gz WICKMQZTNGOHRB-LJQANCHMSA-N 1 1 343.475 0.846 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)cc1 ZINC001031892310 763346904 /nfs/dbraw/zinc/34/69/04/763346904.db2.gz WNBVFZNFSISGKO-ZDUSSCGKSA-N 1 1 325.412 0.997 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)CN3CCCC3)CCO2)cc1 ZINC001051935887 763386357 /nfs/dbraw/zinc/38/63/57/763386357.db2.gz ZEVNDBWPKJARRD-SFHVURJKSA-N 1 1 342.443 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001030462017 763433246 /nfs/dbraw/zinc/43/32/46/763433246.db2.gz HNGNWIKNPISBNI-AWEZNQCLSA-N 1 1 344.463 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001030462017 763433252 /nfs/dbraw/zinc/43/32/52/763433252.db2.gz HNGNWIKNPISBNI-AWEZNQCLSA-N 1 1 344.463 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)nc2COC)C1 ZINC001046953057 763451690 /nfs/dbraw/zinc/45/16/90/763451690.db2.gz FFDVWINWYHWGEN-GFCCVEGCSA-N 1 1 340.374 0.887 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)nc2COC)C1 ZINC001046953057 763451695 /nfs/dbraw/zinc/45/16/95/763451695.db2.gz FFDVWINWYHWGEN-GFCCVEGCSA-N 1 1 340.374 0.887 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(C3CC3)nn2C)C1 ZINC001030464132 763455738 /nfs/dbraw/zinc/45/57/38/763455738.db2.gz IUVXXOXQXDCQMA-HNNXBMFYSA-N 1 1 342.447 0.091 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(C3CC3)nn2C)C1 ZINC001030464132 763455742 /nfs/dbraw/zinc/45/57/42/763455742.db2.gz IUVXXOXQXDCQMA-HNNXBMFYSA-N 1 1 342.447 0.091 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001046955916 763458682 /nfs/dbraw/zinc/45/86/82/763458682.db2.gz IGNDPNXWMPEMFI-JTQLQIEISA-N 1 1 325.315 0.699 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001046955916 763458688 /nfs/dbraw/zinc/45/86/88/763458688.db2.gz IGNDPNXWMPEMFI-JTQLQIEISA-N 1 1 325.315 0.699 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001046956816 763460467 /nfs/dbraw/zinc/46/04/67/763460467.db2.gz GPVXDAWGGGIAGU-LBPRGKRZSA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001046956816 763460470 /nfs/dbraw/zinc/46/04/70/763460470.db2.gz GPVXDAWGGGIAGU-LBPRGKRZSA-N 1 1 334.330 0.445 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001040926480 763467076 /nfs/dbraw/zinc/46/70/76/763467076.db2.gz ZUCPPQWHLDZVLL-CRAIPNDOSA-N 1 1 335.448 0.354 20 30 ECEDMO CN1C[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)NC1=O ZINC001031902404 763472179 /nfs/dbraw/zinc/47/21/79/763472179.db2.gz MCOFHRYIWYTYSF-MRXNPFEDSA-N 1 1 326.400 0.110 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001046964886 763476997 /nfs/dbraw/zinc/47/69/97/763476997.db2.gz ZHURZULHWGZAAW-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2[nH]c(C)cc2C)C1 ZINC000995093524 763485591 /nfs/dbraw/zinc/48/55/91/763485591.db2.gz ZVESSIZJMWCOGH-HNNXBMFYSA-N 1 1 328.416 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2[nH]c(C)cc2C)C1 ZINC000995093524 763485599 /nfs/dbraw/zinc/48/55/99/763485599.db2.gz ZVESSIZJMWCOGH-HNNXBMFYSA-N 1 1 328.416 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001046972147 763491944 /nfs/dbraw/zinc/49/19/44/763491944.db2.gz ZNWCERPZBQRKLZ-LLVKDONJSA-N 1 1 325.315 0.699 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001046972147 763491948 /nfs/dbraw/zinc/49/19/48/763491948.db2.gz ZNWCERPZBQRKLZ-LLVKDONJSA-N 1 1 325.315 0.699 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001046974603 763494018 /nfs/dbraw/zinc/49/40/18/763494018.db2.gz OEQWNYOVWZAMDX-JTQLQIEISA-N 1 1 326.347 0.987 20 30 ECEDMO CN(CCOCCNc1cnc(C#N)cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001127319954 768139200 /nfs/dbraw/zinc/13/92/00/768139200.db2.gz HGHWBMVPTDJSLG-CYBMUJFWSA-N 1 1 332.408 0.187 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046981479 763503542 /nfs/dbraw/zinc/50/35/42/763503542.db2.gz DIHWNWQEVVIADY-GFCCVEGCSA-N 1 1 348.357 0.835 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046982373 763505618 /nfs/dbraw/zinc/50/56/18/763505618.db2.gz OWRQQVYGXGBBDG-LBPRGKRZSA-N 1 1 348.357 0.835 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046982373 763505621 /nfs/dbraw/zinc/50/56/21/763505621.db2.gz OWRQQVYGXGBBDG-LBPRGKRZSA-N 1 1 348.357 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001046995844 763535666 /nfs/dbraw/zinc/53/56/66/763535666.db2.gz LXPPLGXLEXVKNP-CYBMUJFWSA-N 1 1 342.390 0.484 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001046995844 763535670 /nfs/dbraw/zinc/53/56/70/763535670.db2.gz LXPPLGXLEXVKNP-CYBMUJFWSA-N 1 1 342.390 0.484 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CN(CCO)CCC2(F)F)CC1 ZINC001046996086 763535908 /nfs/dbraw/zinc/53/59/08/763535908.db2.gz SMVJCVLELVNTLN-HNNXBMFYSA-N 1 1 343.418 0.397 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001046995880 763536427 /nfs/dbraw/zinc/53/64/27/763536427.db2.gz MDAYJCZYQPPJME-KGLIPLIRSA-N 1 1 331.407 0.967 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnn(C)c3)C2)CC1 ZINC001051995199 763542131 /nfs/dbraw/zinc/54/21/31/763542131.db2.gz AVSJHLWQXGQVCJ-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccnn3C)C2)CC1 ZINC001052018420 763597883 /nfs/dbraw/zinc/59/78/83/763597883.db2.gz JZGXBPQBGVVIIH-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2C)c1 ZINC001088846623 763612634 /nfs/dbraw/zinc/61/26/34/763612634.db2.gz YBTMQNKUBNIQOS-WBMJQRKESA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)c1 ZINC001088846623 763612635 /nfs/dbraw/zinc/61/26/35/763612635.db2.gz YBTMQNKUBNIQOS-WBMJQRKESA-N 1 1 326.400 0.534 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cccn3)n2)[C@@H](O)C1 ZINC001083770778 763616038 /nfs/dbraw/zinc/61/60/38/763616038.db2.gz ZZRLOHJBCWHAJL-CABCVRRESA-N 1 1 325.372 0.066 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001047066219 763617702 /nfs/dbraw/zinc/61/77/02/763617702.db2.gz YEUOUCIJRCEHGB-AAVRWANBSA-N 1 1 328.420 0.417 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033326 763636717 /nfs/dbraw/zinc/63/67/17/763636717.db2.gz OYDZZTVAPLKATK-SJORKVTESA-N 1 1 348.491 0.648 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033326 763636725 /nfs/dbraw/zinc/63/67/25/763636725.db2.gz OYDZZTVAPLKATK-SJORKVTESA-N 1 1 348.491 0.648 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)nnn3CC)C2)CC1 ZINC001052036892 763651911 /nfs/dbraw/zinc/65/19/11/763651911.db2.gz XCTZPYPIIVHAPG-HNNXBMFYSA-N 1 1 332.452 0.625 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C(C)(C)C1 ZINC000941232204 763663306 /nfs/dbraw/zinc/66/33/06/763663306.db2.gz DUCGVKSYHCLAOF-IAGOWNOFSA-N 1 1 333.476 0.947 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052041873 763669869 /nfs/dbraw/zinc/66/98/69/763669869.db2.gz UPQIDSXEOKPNOB-ROUUACIJSA-N 1 1 334.508 0.814 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cncc(OC)c3C)C2)CC1 ZINC001052042960 763672551 /nfs/dbraw/zinc/67/25/51/763672551.db2.gz LNEBCWXWQVXNRG-INIZCTEOSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045364 763682293 /nfs/dbraw/zinc/68/22/93/763682293.db2.gz RNVSAVSHUAFDHU-MRXNPFEDSA-N 1 1 333.411 0.318 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212185569 763685368 /nfs/dbraw/zinc/68/53/68/763685368.db2.gz XJYOGVRUERJFIZ-ARFHVFGLSA-N 1 1 337.464 0.861 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212185569 763685375 /nfs/dbraw/zinc/68/53/75/763685375.db2.gz XJYOGVRUERJFIZ-ARFHVFGLSA-N 1 1 337.464 0.861 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc(C4CC4)cn3)C2)CC1 ZINC001052045948 763685309 /nfs/dbraw/zinc/68/53/09/763685309.db2.gz YNDPMTLBPVRRCL-GOSISDBHSA-N 1 1 341.459 0.612 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)C(C)(C)[N@H+](C)CC)n1 ZINC001106011169 763691543 /nfs/dbraw/zinc/69/15/43/763691543.db2.gz LGNYAEGIEADGHW-CYBMUJFWSA-N 1 1 348.451 0.530 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccn4nccc34)C2)CC1 ZINC001052047588 763691609 /nfs/dbraw/zinc/69/16/09/763691609.db2.gz RVUIMZXHARMWNY-HNNXBMFYSA-N 1 1 338.415 0.690 20 30 ECEDMO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015025067 763692332 /nfs/dbraw/zinc/69/23/32/763692332.db2.gz OWSFBSBIBKZRMW-MOPGFXCFSA-N 1 1 341.455 0.949 20 30 ECEDMO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015025067 763692335 /nfs/dbraw/zinc/69/23/35/763692335.db2.gz OWSFBSBIBKZRMW-MOPGFXCFSA-N 1 1 341.455 0.949 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)cc(=O)oc3C)C2)CC1 ZINC001052049796 763704085 /nfs/dbraw/zinc/70/40/85/763704085.db2.gz QCWZDNSYKFPTCP-INIZCTEOSA-N 1 1 343.427 0.722 20 30 ECEDMO C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)c1cnn(C)c1 ZINC001052053478 763719189 /nfs/dbraw/zinc/71/91/89/763719189.db2.gz MCGKFMZETJROBG-NVXWUHKLSA-N 1 1 344.463 0.656 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001047145125 763720868 /nfs/dbraw/zinc/72/08/68/763720868.db2.gz GABWCSJWYOZUOX-XIRDDKMYSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(CC)nnc3C)C2)CC1 ZINC001052056019 763725788 /nfs/dbraw/zinc/72/57/88/763725788.db2.gz CRBZGESJSWBAIQ-QGZVFWFLSA-N 1 1 341.459 0.813 20 30 ECEDMO COC1CCC(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052072946 763777102 /nfs/dbraw/zinc/77/71/02/763777102.db2.gz DESPFOUUDVUCPU-AQFXKWCLSA-N 1 1 334.464 0.934 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC)C3)cn1 ZINC001047185778 763781472 /nfs/dbraw/zinc/78/14/72/763781472.db2.gz KMIHUUJTZQOZBX-MAZHCROVSA-N 1 1 326.400 0.392 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cnn(C)n3)C2)CC1 ZINC001052084894 763809155 /nfs/dbraw/zinc/80/91/55/763809155.db2.gz ZDHAXLJVXAWIDA-MRXNPFEDSA-N 1 1 332.452 0.152 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cnn(C)n3)C2)CC1 ZINC001052084894 763809159 /nfs/dbraw/zinc/80/91/59/763809159.db2.gz ZDHAXLJVXAWIDA-MRXNPFEDSA-N 1 1 332.452 0.152 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)nn3CC)C2)CC1 ZINC001052085681 763811876 /nfs/dbraw/zinc/81/18/76/763811876.db2.gz IWXHHKSCZYUOED-MRXNPFEDSA-N 1 1 329.448 0.677 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)CC1 ZINC001052092073 763831662 /nfs/dbraw/zinc/83/16/62/763831662.db2.gz QMYJHAHMSSAMHK-OKZBNKHCSA-N 1 1 343.475 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)CC1 ZINC001052092073 763831667 /nfs/dbraw/zinc/83/16/67/763831667.db2.gz QMYJHAHMSSAMHK-OKZBNKHCSA-N 1 1 343.475 0.928 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cncc(OC)n3)C2)CC1 ZINC001052092817 763835013 /nfs/dbraw/zinc/83/50/13/763835013.db2.gz FACXSIAJHZQTOP-AWEZNQCLSA-N 1 1 331.420 0.503 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052093152 763836123 /nfs/dbraw/zinc/83/61/23/763836123.db2.gz KEBJQKUOFFGYQQ-ROUUACIJSA-N 1 1 347.507 0.991 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)nc(C)n3)C2)CC1 ZINC001052096820 763848423 /nfs/dbraw/zinc/84/84/23/763848423.db2.gz PXJNTYJVMRLMET-MRXNPFEDSA-N 1 1 327.432 0.559 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nc4ncccn4n3)C2)CC1 ZINC001052099038 763855930 /nfs/dbraw/zinc/85/59/30/763855930.db2.gz GCIKXFIQYDEQQG-CQSZACIVSA-N 1 1 341.419 0.142 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107936 763889166 /nfs/dbraw/zinc/88/91/66/763889166.db2.gz IAOFESISDZHWLF-QZTJIDSGSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107936 763889174 /nfs/dbraw/zinc/88/91/74/763889174.db2.gz IAOFESISDZHWLF-QZTJIDSGSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C2)CC1 ZINC001052108900 763893443 /nfs/dbraw/zinc/89/34/43/763893443.db2.gz RWEXYJINARSODA-OAHLLOKOSA-N 1 1 342.447 0.008 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2nc(C)cc(C#N)n2)C1 ZINC001106344811 768172965 /nfs/dbraw/zinc/17/29/65/768172965.db2.gz QOYGSRZDUSAKHY-IUODEOHRSA-N 1 1 346.435 0.684 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2nc(C)cc(C#N)n2)C1 ZINC001106344811 768172973 /nfs/dbraw/zinc/17/29/73/768172973.db2.gz QOYGSRZDUSAKHY-IUODEOHRSA-N 1 1 346.435 0.684 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4cc[nH]c34)C2)CC1 ZINC001052112179 763906379 /nfs/dbraw/zinc/90/63/79/763906379.db2.gz ONCZHBZYTKQUCL-OAHLLOKOSA-N 1 1 340.431 0.518 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)nn(C)c3F)C2)CC1 ZINC001052112896 763909407 /nfs/dbraw/zinc/90/94/07/763909407.db2.gz GYYXFCBZFSDTGU-AWEZNQCLSA-N 1 1 335.427 0.886 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3[nH]cnc3C)C2)CC1 ZINC001052113255 763911152 /nfs/dbraw/zinc/91/11/52/763911152.db2.gz QNBJZDIQECWTSV-MRXNPFEDSA-N 1 1 329.448 0.502 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C2)CC1 ZINC001052117604 763928886 /nfs/dbraw/zinc/92/88/86/763928886.db2.gz VALWKBZAPDRZIW-QGZVFWFLSA-N 1 1 340.427 0.251 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)n3nc(C)cc3C)C2)CC1 ZINC001052121820 763943521 /nfs/dbraw/zinc/94/35/21/763943521.db2.gz HVQLQLIEUVGOIH-ZWKOTPCHSA-N 1 1 343.475 0.913 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C(N)=O)cs3)C2)CC1 ZINC001052122069 763944906 /nfs/dbraw/zinc/94/49/06/763944906.db2.gz MQOISMRWOCEKKP-AWEZNQCLSA-N 1 1 348.472 0.865 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001052215938 764067865 /nfs/dbraw/zinc/06/78/65/764067865.db2.gz UCFCSNOIVYNMHM-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(OC)nc3)C2)C1=O ZINC001015185864 764097744 /nfs/dbraw/zinc/09/77/44/764097744.db2.gz KUMFHTFKFRJOFO-LSDHHAIUSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(OC)nc3)C2)C1=O ZINC001015185864 764097753 /nfs/dbraw/zinc/09/77/53/764097753.db2.gz KUMFHTFKFRJOFO-LSDHHAIUSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1=O ZINC001030594128 764153280 /nfs/dbraw/zinc/15/32/80/764153280.db2.gz GBKQRMLZLMXTFX-IAGOWNOFSA-N 1 1 348.491 0.694 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC(F)F)C1 ZINC001047379521 764165295 /nfs/dbraw/zinc/16/52/95/764165295.db2.gz DUNNLBUYVVUVIN-STQMWFEESA-N 1 1 326.347 0.289 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC(F)F)C1 ZINC001047379521 764165300 /nfs/dbraw/zinc/16/53/00/764165300.db2.gz DUNNLBUYVVUVIN-STQMWFEESA-N 1 1 326.347 0.289 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001047380043 764168246 /nfs/dbraw/zinc/16/82/46/764168246.db2.gz WVRBRVFWCUBTNC-IRXDYDNUSA-N 1 1 348.447 0.928 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001047380303 764169828 /nfs/dbraw/zinc/16/98/28/764169828.db2.gz IQGBKJKMPKWARD-XIRDDKMYSA-N 1 1 346.402 0.904 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OC)n(C)n3)C2)C1=O ZINC001015219677 764176250 /nfs/dbraw/zinc/17/62/50/764176250.db2.gz ZHLLIDWTFJTLJI-GXTWGEPZSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(OC)n(C)n3)C2)C1=O ZINC001015219677 764176256 /nfs/dbraw/zinc/17/62/56/764176256.db2.gz ZHLLIDWTFJTLJI-GXTWGEPZSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c3c(nn2C)CCCC3)C1 ZINC001047396705 764209039 /nfs/dbraw/zinc/20/90/39/764209039.db2.gz FYBISWGHRSZXME-HOTGVXAUSA-N 1 1 332.448 0.992 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001017617090 768198558 /nfs/dbraw/zinc/19/85/58/768198558.db2.gz KPHXKPDJTNCAMG-FGTMMUONSA-N 1 1 331.460 0.938 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001032039950 764241250 /nfs/dbraw/zinc/24/12/50/764241250.db2.gz KFFMHVPWBRQFRY-JYJNAYRXSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2COCCO2)C1 ZINC000995261188 764242186 /nfs/dbraw/zinc/24/21/86/764242186.db2.gz SQUOIAGICQTLNW-MSOLQXFVSA-N 1 1 343.427 0.781 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001047406241 764242671 /nfs/dbraw/zinc/24/26/71/764242671.db2.gz UVWHRNRBKSWHOG-QWRGUYRKSA-N 1 1 330.310 0.569 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052319871 764243847 /nfs/dbraw/zinc/24/38/47/764243847.db2.gz LKJNHQYVASJXES-GFCCVEGCSA-N 1 1 338.433 0.515 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052319871 764243857 /nfs/dbraw/zinc/24/38/57/764243857.db2.gz LKJNHQYVASJXES-GFCCVEGCSA-N 1 1 338.433 0.515 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001047409379 764255864 /nfs/dbraw/zinc/25/58/64/764255864.db2.gz KAGLVSYKOZCGTG-KBPBESRZSA-N 1 1 330.392 0.436 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)c2cnnn2C)C1 ZINC000995266872 764256905 /nfs/dbraw/zinc/25/69/05/764256905.db2.gz NJMYNZNGWNPELH-INIZCTEOSA-N 1 1 338.415 0.808 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001047414216 764269891 /nfs/dbraw/zinc/26/98/91/764269891.db2.gz BTVXDQHHFQOYOR-GJZGRUSLSA-N 1 1 345.399 0.711 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001047414265 764270040 /nfs/dbraw/zinc/27/00/40/764270040.db2.gz DDLXGFFRSMQTIU-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001047414569 764271457 /nfs/dbraw/zinc/27/14/57/764271457.db2.gz MDAFNMYGWVDGJE-BSWAZPDLSA-N 1 1 348.447 0.670 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001047414569 764271458 /nfs/dbraw/zinc/27/14/58/764271458.db2.gz MDAFNMYGWVDGJE-BSWAZPDLSA-N 1 1 348.447 0.670 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC001047415031 764273673 /nfs/dbraw/zinc/27/36/73/764273673.db2.gz CULAHPDOLBJPRT-FHWLQOOXSA-N 1 1 341.455 0.788 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001047418652 764284052 /nfs/dbraw/zinc/28/40/52/764284052.db2.gz ZHPJOBPDKJNCLA-STQMWFEESA-N 1 1 344.337 0.586 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001047418652 764284061 /nfs/dbraw/zinc/28/40/61/764284061.db2.gz ZHPJOBPDKJNCLA-STQMWFEESA-N 1 1 344.337 0.586 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](Cn1cccn1)N(C)C ZINC001017617880 768200781 /nfs/dbraw/zinc/20/07/81/768200781.db2.gz VAOYXQLKFNZUCL-IXDOHACOSA-N 1 1 329.448 0.512 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)ncn3C)C1 ZINC001047433467 764331544 /nfs/dbraw/zinc/33/15/44/764331544.db2.gz CNPWOYDXYTYSCH-IRXDYDNUSA-N 1 1 326.400 0.714 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)ncn3C)C1 ZINC001047433467 764331552 /nfs/dbraw/zinc/33/15/52/764331552.db2.gz CNPWOYDXYTYSCH-IRXDYDNUSA-N 1 1 326.400 0.714 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ncc[nH]3)CC2)C1=O ZINC001052370621 764348412 /nfs/dbraw/zinc/34/84/12/764348412.db2.gz CWGVIPIBSWMOSU-UONOGXRCSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2-n2cnnn2)C1 ZINC001047439157 764348669 /nfs/dbraw/zinc/34/86/69/764348669.db2.gz ZRQAFZNWOHYWRH-RYUDHWBXSA-N 1 1 334.405 0.027 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2-n2cnnn2)C1 ZINC001047439157 764348675 /nfs/dbraw/zinc/34/86/75/764348675.db2.gz ZRQAFZNWOHYWRH-RYUDHWBXSA-N 1 1 334.405 0.027 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001047445460 764367440 /nfs/dbraw/zinc/36/74/40/764367440.db2.gz XTMKXTAQCALDRU-STQMWFEESA-N 1 1 326.828 0.614 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ccnc2OC)C1 ZINC001047453139 764393220 /nfs/dbraw/zinc/39/32/20/764393220.db2.gz FEDMHVKHXOQKHA-STQMWFEESA-N 1 1 333.388 0.239 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001047456276 764399488 /nfs/dbraw/zinc/39/94/88/764399488.db2.gz PHRFEMKZVMYHGH-BPUTZDHNSA-N 1 1 332.375 0.514 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001047456276 764399498 /nfs/dbraw/zinc/39/94/98/764399498.db2.gz PHRFEMKZVMYHGH-BPUTZDHNSA-N 1 1 332.375 0.514 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc(OCC)n2)C1 ZINC001047465369 764423934 /nfs/dbraw/zinc/42/39/34/764423934.db2.gz ZQDXZDGRDILHPX-HOTGVXAUSA-N 1 1 331.416 0.550 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001047473638 764445694 /nfs/dbraw/zinc/44/56/94/764445694.db2.gz WIGRBXZSZGAXKQ-SNPRPXQTSA-N 1 1 334.420 0.607 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CNC(=O)C1 ZINC001015375788 764472902 /nfs/dbraw/zinc/47/29/02/764472902.db2.gz KSKNDQTULVWNAU-MAUKXSAKSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CNC(=O)C1 ZINC001015375788 764472909 /nfs/dbraw/zinc/47/29/09/764472909.db2.gz KSKNDQTULVWNAU-MAUKXSAKSA-N 1 1 326.400 0.775 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3cncn3C)C2)nn1 ZINC001098766177 764480526 /nfs/dbraw/zinc/48/05/26/764480526.db2.gz ACGWJGKGYIKMII-HNNXBMFYSA-N 1 1 343.435 0.693 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001047501658 764528303 /nfs/dbraw/zinc/52/83/03/764528303.db2.gz RXRBOSVHTXCWBM-BZSNNMDCSA-N 1 1 349.475 0.157 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001047501658 764528308 /nfs/dbraw/zinc/52/83/08/764528308.db2.gz RXRBOSVHTXCWBM-BZSNNMDCSA-N 1 1 349.475 0.157 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001047505397 764539675 /nfs/dbraw/zinc/53/96/75/764539675.db2.gz IZSHSSIWLWSHGO-XIRDDKMYSA-N 1 1 332.448 0.834 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2O)C1 ZINC001047519630 764574185 /nfs/dbraw/zinc/57/41/85/764574185.db2.gz JXKSOGMEIYRUBF-PMPSAXMXSA-N 1 1 349.475 0.763 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cccn3)n2)C1 ZINC001047523366 764584423 /nfs/dbraw/zinc/58/44/23/764584423.db2.gz XLZAEWMLZBPQCM-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cccn3)n2)C1 ZINC001047523366 764584426 /nfs/dbraw/zinc/58/44/26/764584426.db2.gz XLZAEWMLZBPQCM-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn(C)nc2Cl)C1 ZINC001047525385 764591268 /nfs/dbraw/zinc/59/12/68/764591268.db2.gz JBYUORRFUNVEAI-STQMWFEESA-N 1 1 326.828 0.696 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn(C)nc2Cl)C1 ZINC001047525718 764592858 /nfs/dbraw/zinc/59/28/58/764592858.db2.gz RBBOZEUIFHHULH-STQMWFEESA-N 1 1 326.828 0.696 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC001052492345 764613584 /nfs/dbraw/zinc/61/35/84/764613584.db2.gz DKIFFZZREBHXEL-XQQFMLRXSA-N 1 1 334.338 0.937 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCOCC1 ZINC001089876184 764614199 /nfs/dbraw/zinc/61/41/99/764614199.db2.gz QAMRPAYADLYPMF-MLHJIOFPSA-N 1 1 345.487 0.899 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001052502281 764630620 /nfs/dbraw/zinc/63/06/20/764630620.db2.gz CNOFDCHXCRNTQF-KBPBESRZSA-N 1 1 331.420 0.540 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc(OC)nc1 ZINC001089884507 764681804 /nfs/dbraw/zinc/68/18/04/764681804.db2.gz UUSXZRJSTCZSBT-HNKHHVNMSA-N 1 1 326.400 0.901 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc4c([nH]3)CCC4)C2)C1=O ZINC001032121402 764682682 /nfs/dbraw/zinc/68/26/82/764682682.db2.gz UUPFBQXPECYQHB-QGZVFWFLSA-N 1 1 342.443 0.952 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]ncc2Br)C1 ZINC001047567548 764714616 /nfs/dbraw/zinc/71/46/16/764714616.db2.gz LTRXJGPCHMRBHF-QWRGUYRKSA-N 1 1 341.209 0.313 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001047568024 764716351 /nfs/dbraw/zinc/71/63/51/764716351.db2.gz HCRAWASFTBFTSF-BQFCYCMXSA-N 1 1 328.412 0.907 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001047568024 764716358 /nfs/dbraw/zinc/71/63/58/764716358.db2.gz HCRAWASFTBFTSF-BQFCYCMXSA-N 1 1 328.412 0.907 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001052547391 764731319 /nfs/dbraw/zinc/73/13/19/764731319.db2.gz FOARBJYTQYTNKR-DOTOQJQBSA-N 1 1 347.459 0.333 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001052553842 764747018 /nfs/dbraw/zinc/74/70/18/764747018.db2.gz LGFSCWDVMVXYKA-CZUORRHYSA-N 1 1 328.416 0.816 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001047578283 764756585 /nfs/dbraw/zinc/75/65/85/764756585.db2.gz VAIRUPFMZXONOQ-GJZGRUSLSA-N 1 1 329.404 0.580 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nc(C)ccc1=O ZINC001089887861 764775198 /nfs/dbraw/zinc/77/51/98/764775198.db2.gz BDXQMKNBJWRFHZ-NXOAAHMSSA-N 1 1 340.427 0.354 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001047586394 764785604 /nfs/dbraw/zinc/78/56/04/764785604.db2.gz RHZVIZVPECQYMC-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001047586394 764785609 /nfs/dbraw/zinc/78/56/09/764785609.db2.gz RHZVIZVPECQYMC-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)[C@@H](O)C1 ZINC001083729171 768240881 /nfs/dbraw/zinc/24/08/81/768240881.db2.gz HCGSUMDHMPHSOH-LXZKKBNFSA-N 1 1 332.448 0.653 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001047591128 764801828 /nfs/dbraw/zinc/80/18/28/764801828.db2.gz QPJYVIHSUWCYNO-STQMWFEESA-N 1 1 338.839 0.776 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001047591128 764801834 /nfs/dbraw/zinc/80/18/34/764801834.db2.gz QPJYVIHSUWCYNO-STQMWFEESA-N 1 1 338.839 0.776 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015503193 764816593 /nfs/dbraw/zinc/81/65/93/764816593.db2.gz IUIULIGJGMBEKB-LSDHHAIUSA-N 1 1 342.399 0.393 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015503193 764816600 /nfs/dbraw/zinc/81/66/00/764816600.db2.gz IUIULIGJGMBEKB-LSDHHAIUSA-N 1 1 342.399 0.393 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC001052595525 764820642 /nfs/dbraw/zinc/82/06/42/764820642.db2.gz VSYJGODYOBQZRR-LSDHHAIUSA-N 1 1 343.418 0.946 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001052599530 764829568 /nfs/dbraw/zinc/82/95/68/764829568.db2.gz NNGUYTVFLFYCSN-GOEBONIOSA-N 1 1 346.431 0.442 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc3ccccc3n2)C1 ZINC001047598956 764834787 /nfs/dbraw/zinc/83/47/87/764834787.db2.gz BVXZCYKDNBVIDZ-IRXDYDNUSA-N 1 1 326.400 0.563 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc3ccccc3n2)C1 ZINC001047598956 764834792 /nfs/dbraw/zinc/83/47/92/764834792.db2.gz BVXZCYKDNBVIDZ-IRXDYDNUSA-N 1 1 326.400 0.563 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001052609629 764842974 /nfs/dbraw/zinc/84/29/74/764842974.db2.gz XEQOHCWUKYPADX-ZDUSSCGKSA-N 1 1 344.423 0.854 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1O ZINC001047601567 764843680 /nfs/dbraw/zinc/84/36/80/764843680.db2.gz AKLHKBJNOXMHCS-BPUTZDHNSA-N 1 1 347.415 0.246 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)NC1=O ZINC001015513577 764847260 /nfs/dbraw/zinc/84/72/60/764847260.db2.gz GYEPWSYJOOTILL-UKRRQHHQSA-N 1 1 345.378 0.411 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)NC1=O ZINC001015513577 764847268 /nfs/dbraw/zinc/84/72/68/764847268.db2.gz GYEPWSYJOOTILL-UKRRQHHQSA-N 1 1 345.378 0.411 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001015514374 764851644 /nfs/dbraw/zinc/85/16/44/764851644.db2.gz QEQWSPYVLUTYTJ-HOTGVXAUSA-N 1 1 326.400 0.252 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001015514374 764851653 /nfs/dbraw/zinc/85/16/53/764851653.db2.gz QEQWSPYVLUTYTJ-HOTGVXAUSA-N 1 1 326.400 0.252 20 30 ECEDMO C[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)Nc1ccnc(C#N)n1 ZINC001098284874 764967167 /nfs/dbraw/zinc/96/71/67/764967167.db2.gz MURWOWAJPPBEKX-YVEFUNNKSA-N 1 1 348.426 0.899 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001015601394 765037130 /nfs/dbraw/zinc/03/71/30/765037130.db2.gz LWAUYJBNZIXAMR-JKSUJKDBSA-N 1 1 326.400 0.870 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001052760652 765076486 /nfs/dbraw/zinc/07/64/86/765076486.db2.gz JDBIGBJBSXNEKP-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001052760652 765076489 /nfs/dbraw/zinc/07/64/89/765076489.db2.gz JDBIGBJBSXNEKP-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cc4c(=O)[nH]c(C)cn4n3)CCC[C@@H]12 ZINC000991990746 765082223 /nfs/dbraw/zinc/08/22/23/765082223.db2.gz ABIYPNXTHHQLMJ-CRAIPNDOSA-N 1 1 339.399 0.691 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC000991990921 765082877 /nfs/dbraw/zinc/08/28/77/765082877.db2.gz CFTOFOYVNRIOOZ-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001052783177 765113716 /nfs/dbraw/zinc/11/37/16/765113716.db2.gz PHYKHCOMCKNZJK-LSDHHAIUSA-N 1 1 325.453 0.740 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001052784714 765116745 /nfs/dbraw/zinc/11/67/45/765116745.db2.gz WESFLEPNWXKKOM-HNNXBMFYSA-N 1 1 346.435 0.173 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CCNC1=O ZINC001015694731 765173936 /nfs/dbraw/zinc/17/39/36/765173936.db2.gz BULMPRTXZIYGKF-BZNIZROVSA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CCNC1=O ZINC001015694731 765173940 /nfs/dbraw/zinc/17/39/40/765173940.db2.gz BULMPRTXZIYGKF-BZNIZROVSA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001052816374 765176132 /nfs/dbraw/zinc/17/61/32/765176132.db2.gz BFTBRNJKVROYEJ-UMVBOHGHSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001052830302 765193469 /nfs/dbraw/zinc/19/34/69/765193469.db2.gz CWCMAXYSJAMTQX-CVEARBPZSA-N 1 1 345.447 0.922 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)CC2)cn1 ZINC001052878733 765286575 /nfs/dbraw/zinc/28/65/75/765286575.db2.gz JNYVFSBZXFSDFZ-QGZVFWFLSA-N 1 1 338.415 0.939 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)cn1 ZINC001052879517 765287826 /nfs/dbraw/zinc/28/78/26/765287826.db2.gz ZGBFCKLUWGDTBN-IRXDYDNUSA-N 1 1 340.427 0.926 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cncc(OC)n3)C2)C1=O ZINC001015795355 765331798 /nfs/dbraw/zinc/33/17/98/765331798.db2.gz VBYUOPRQWTVYJW-GXTWGEPZSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cncc(OC)n3)C2)C1=O ZINC001015795355 765331805 /nfs/dbraw/zinc/33/18/05/765331805.db2.gz VBYUOPRQWTVYJW-GXTWGEPZSA-N 1 1 345.403 0.076 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001015809391 765366971 /nfs/dbraw/zinc/36/69/71/765366971.db2.gz NJZZLZDSZVXJBZ-GOEBONIOSA-N 1 1 327.384 0.391 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001015809391 765366982 /nfs/dbraw/zinc/36/69/82/765366982.db2.gz NJZZLZDSZVXJBZ-GOEBONIOSA-N 1 1 327.384 0.391 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001052946555 765401006 /nfs/dbraw/zinc/40/10/06/765401006.db2.gz VODKWTKOROQMSS-NWDGAFQWSA-N 1 1 335.857 0.401 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001052989143 765467158 /nfs/dbraw/zinc/46/71/58/765467158.db2.gz ZPPRWVRZTJXQNK-HIFRSBDPSA-N 1 1 334.420 0.605 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC001053007931 765480467 /nfs/dbraw/zinc/48/04/67/765480467.db2.gz OJLDLMKLQUKPHD-HZPDHXFCSA-N 1 1 330.436 0.647 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001053031917 765505842 /nfs/dbraw/zinc/50/58/42/765505842.db2.gz MAGPSQBJHYZHOT-CVEARBPZSA-N 1 1 347.463 0.718 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001053046879 765524492 /nfs/dbraw/zinc/52/44/92/765524492.db2.gz NYUGICDPDNKOFD-CABCVRRESA-N 1 1 348.447 0.675 20 30 ECEDMO NC(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001015907886 765527008 /nfs/dbraw/zinc/52/70/08/765527008.db2.gz LGNGJRXFVCKIKS-INIZCTEOSA-N 1 1 336.395 0.969 20 30 ECEDMO NC(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001015907886 765527009 /nfs/dbraw/zinc/52/70/09/765527009.db2.gz LGNGJRXFVCKIKS-INIZCTEOSA-N 1 1 336.395 0.969 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001053052302 765528669 /nfs/dbraw/zinc/52/86/69/765528669.db2.gz UITLYRNWCGVSLN-LSDHHAIUSA-N 1 1 346.431 0.122 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001077492341 765528942 /nfs/dbraw/zinc/52/89/42/765528942.db2.gz FETKWDYUGWOTRF-CHWSQXEVSA-N 1 1 332.404 0.412 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CCNC(=O)CC3)C2)cc1 ZINC001030776931 765541504 /nfs/dbraw/zinc/54/15/04/765541504.db2.gz GLPICXRSONRYEC-OAHLLOKOSA-N 1 1 325.412 0.998 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000992121049 765556507 /nfs/dbraw/zinc/55/65/07/765556507.db2.gz RZXGVXKVTTTWDI-PCKAHOCUSA-N 1 1 340.427 0.639 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)c(F)c1 ZINC000992139214 765631223 /nfs/dbraw/zinc/63/12/23/765631223.db2.gz BWEIOYYWRDSMIN-RHSMWYFYSA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)c(F)c1 ZINC000992139214 765631229 /nfs/dbraw/zinc/63/12/29/765631229.db2.gz BWEIOYYWRDSMIN-RHSMWYFYSA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)c(F)c1 ZINC000992139218 765631427 /nfs/dbraw/zinc/63/14/27/765631427.db2.gz BWEIOYYWRDSMIN-YOEHRIQHSA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)c(F)c1 ZINC000992139218 765631433 /nfs/dbraw/zinc/63/14/33/765631433.db2.gz BWEIOYYWRDSMIN-YOEHRIQHSA-N 1 1 330.363 0.796 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)cc1C#N ZINC001015968062 765635401 /nfs/dbraw/zinc/63/54/01/765635401.db2.gz PLFBEPXIGMFAAN-AWEZNQCLSA-N 1 1 340.387 0.618 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)cc1C#N ZINC001015968062 765635407 /nfs/dbraw/zinc/63/54/07/765635407.db2.gz PLFBEPXIGMFAAN-AWEZNQCLSA-N 1 1 340.387 0.618 20 30 ECEDMO NC(=O)C(=O)N[C@@]12CCC[C@H]1[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000992140744 765639957 /nfs/dbraw/zinc/63/99/57/765639957.db2.gz BCWAKARYFJBCNN-CRAIPNDOSA-N 1 1 329.375 0.776 20 30 ECEDMO NC(=O)C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000992140744 765639959 /nfs/dbraw/zinc/63/99/59/765639959.db2.gz BCWAKARYFJBCNN-CRAIPNDOSA-N 1 1 329.375 0.776 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001077496958 765673730 /nfs/dbraw/zinc/67/37/30/765673730.db2.gz MZCYFUISKPGYRO-ULQDDVLXSA-N 1 1 348.491 0.437 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)cc1F ZINC000992151986 765686075 /nfs/dbraw/zinc/68/60/75/765686075.db2.gz DPLGIIFNKXDUMO-RHSMWYFYSA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)cc1F ZINC000992151986 765686083 /nfs/dbraw/zinc/68/60/83/765686083.db2.gz DPLGIIFNKXDUMO-RHSMWYFYSA-N 1 1 330.363 0.796 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(C)csc3n2)C1 ZINC001077497767 765701315 /nfs/dbraw/zinc/70/13/15/765701315.db2.gz VVLJSVZLFNIZDX-ZIAGYGMSSA-N 1 1 334.445 0.984 20 30 ECEDMO N#Cc1cc(C(=O)N2CCOC3(C[NH+](CC[C@H]4CCOC4)C3)C2)c[nH]1 ZINC001053226957 765793975 /nfs/dbraw/zinc/79/39/75/765793975.db2.gz FRLYNVXWADWLIJ-AWEZNQCLSA-N 1 1 344.415 0.840 20 30 ECEDMO O=C(C#CC1CC1)N1CCOC2(C[NH+](C[C@H]3C[C@@]34CCOC4)C2)C1 ZINC001053250739 765842169 /nfs/dbraw/zinc/84/21/69/765842169.db2.gz RRZMZJQUXOAUHL-SJLPKXTDSA-N 1 1 330.428 0.740 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001106109113 765871313 /nfs/dbraw/zinc/87/13/13/765871313.db2.gz UGBXLBMBSZLZLZ-UKRRQHHQSA-N 1 1 331.420 0.635 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)C2)cc1F ZINC001016185479 765882056 /nfs/dbraw/zinc/88/20/56/765882056.db2.gz SMJGWIKNPPUVPF-AWEZNQCLSA-N 1 1 328.351 0.680 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cncn3)C2)cc1F ZINC001016185479 765882065 /nfs/dbraw/zinc/88/20/65/765882065.db2.gz SMJGWIKNPPUVPF-AWEZNQCLSA-N 1 1 328.351 0.680 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CCO2 ZINC001053304381 765940917 /nfs/dbraw/zinc/94/09/17/765940917.db2.gz ILURNFMZBOTYQR-IRXDYDNUSA-N 1 1 331.460 0.940 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCN(C)C(=O)C1)CCO2 ZINC001053314113 765953643 /nfs/dbraw/zinc/95/36/43/765953643.db2.gz MHDMRGATCJZBPH-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCCS1(=O)=O ZINC001017739813 768339413 /nfs/dbraw/zinc/33/94/13/768339413.db2.gz RBABOYUROVMRJP-GASCZTMLSA-N 1 1 339.461 0.111 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cn(C)c(=O)n(C)c3=O)CCC[C@@H]12 ZINC000992271836 766114245 /nfs/dbraw/zinc/11/42/45/766114245.db2.gz OBYGGHUPCYOCIP-KDOFPFPSSA-N 1 1 346.431 0.387 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)C3CCS(=O)(=O)CC3)CCC[C@@H]12 ZINC000992275964 766128492 /nfs/dbraw/zinc/12/84/92/766128492.db2.gz UXKVLMCVUZJDLZ-WBVHZDCISA-N 1 1 338.473 0.948 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)Cn3ncn4nccc4c3=O)CCC[C@@H]12 ZINC000992277250 766131240 /nfs/dbraw/zinc/13/12/40/766131240.db2.gz WJMKTHYKNWNFDT-RHSMWYFYSA-N 1 1 342.403 0.190 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001053441528 766137221 /nfs/dbraw/zinc/13/72/21/766137221.db2.gz AZZVRSYDSKULON-JKSUJKDBSA-N 1 1 337.464 0.579 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)n(C)c1=O ZINC001016354659 766174621 /nfs/dbraw/zinc/17/46/21/766174621.db2.gz QFCDIJLZSHMQHA-MRXNPFEDSA-N 1 1 338.411 0.580 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)n(C)c1=O ZINC001016354659 766174624 /nfs/dbraw/zinc/17/46/24/766174624.db2.gz QFCDIJLZSHMQHA-MRXNPFEDSA-N 1 1 338.411 0.580 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cn(CC)cn1 ZINC001077511779 766207290 /nfs/dbraw/zinc/20/72/90/766207290.db2.gz CSCALFXYXLQMPO-HOCLYGCPSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cn(CC)cn1 ZINC001077511779 766207292 /nfs/dbraw/zinc/20/72/92/766207292.db2.gz CSCALFXYXLQMPO-HOCLYGCPSA-N 1 1 345.447 0.625 20 30 ECEDMO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001106483711 768364246 /nfs/dbraw/zinc/36/42/46/768364246.db2.gz FBLBBGSBTQQPHC-LLVKDONJSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001099153524 766337557 /nfs/dbraw/zinc/33/75/57/766337557.db2.gz MHRIENDMLDVCOM-CQSZACIVSA-N 1 1 333.436 0.212 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001045772513 766349680 /nfs/dbraw/zinc/34/96/80/766349680.db2.gz HRHSCWVVXHCSRC-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)cc1 ZINC001083691585 766373636 /nfs/dbraw/zinc/37/36/36/766373636.db2.gz WRQCEFUYRJWUNP-SJORKVTESA-N 1 1 341.411 0.065 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)cc1 ZINC001083691585 766373646 /nfs/dbraw/zinc/37/36/46/766373646.db2.gz WRQCEFUYRJWUNP-SJORKVTESA-N 1 1 341.411 0.065 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001045849847 766432698 /nfs/dbraw/zinc/43/26/98/766432698.db2.gz CYKROQNCLLGYHF-QXSJWSMHSA-N 1 1 335.448 0.731 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001015179753 766512369 /nfs/dbraw/zinc/51/23/69/766512369.db2.gz YCLKPCFJGHAZEK-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001045943962 766513995 /nfs/dbraw/zinc/51/39/95/766513995.db2.gz SFCXMYOEHDQONG-KBXCAEBGSA-N 1 1 348.447 0.865 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc(=O)n(C)cn1)C2 ZINC001045945299 766515340 /nfs/dbraw/zinc/51/53/40/766515340.db2.gz QVHUWXCIYXMPJG-SFHVURJKSA-N 1 1 328.416 0.732 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)N(C)C)CC3)cn1 ZINC000992412141 766516600 /nfs/dbraw/zinc/51/66/00/766516600.db2.gz RCABRMWVTWEZDL-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cn(C4CCOCC4)nn3)CCC[C@@H]12 ZINC000992424127 766542007 /nfs/dbraw/zinc/54/20/07/766542007.db2.gz GZRGBLDSGODIPX-SJLPKXTDSA-N 1 1 343.431 0.990 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@@H]12 ZINC000992427567 766547886 /nfs/dbraw/zinc/54/78/86/766547886.db2.gz LOELNRKKHBIJTC-DYVFJYSZSA-N 1 1 334.420 0.618 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)onc2CC)C[C@H]1OC ZINC001212255408 766554067 /nfs/dbraw/zinc/55/40/67/766554067.db2.gz KVZQIGLOVNHFJN-IAOVAPTHSA-N 1 1 349.431 0.899 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(C)onc2CC)C[C@H]1OC ZINC001212255408 766554072 /nfs/dbraw/zinc/55/40/72/766554072.db2.gz KVZQIGLOVNHFJN-IAOVAPTHSA-N 1 1 349.431 0.899 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001045983246 766555089 /nfs/dbraw/zinc/55/50/89/766555089.db2.gz KQQOLRRIVFJUSI-KRWDZBQOSA-N 1 1 334.420 0.429 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCN(C(C)=O)C1)O2 ZINC001053691280 766599272 /nfs/dbraw/zinc/59/92/72/766599272.db2.gz YWDIGTUHBIIHPZ-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC001046000921 766601341 /nfs/dbraw/zinc/60/13/41/766601341.db2.gz BZPQWMMXOURLQV-MRXNPFEDSA-N 1 1 334.464 0.403 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3nncn3C1)O2 ZINC001053700985 766622339 /nfs/dbraw/zinc/62/23/39/766622339.db2.gz JSEGSWSUFOJCEM-GJZGRUSLSA-N 1 1 343.431 0.213 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC001089280119 766626835 /nfs/dbraw/zinc/62/68/35/766626835.db2.gz KNPKEXPRDSZAHN-NWDGAFQWSA-N 1 1 331.420 0.928 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)cn1)O2 ZINC001053704217 766628671 /nfs/dbraw/zinc/62/86/71/766628671.db2.gz WWHRYULWWSYWHD-CQSZACIVSA-N 1 1 342.399 0.167 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001046012108 766638574 /nfs/dbraw/zinc/63/85/74/766638574.db2.gz LPJUSMYJZCSJPS-NVXWUHKLSA-N 1 1 334.464 0.791 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cncn3C)C2)CC1 ZINC001046013431 766642095 /nfs/dbraw/zinc/64/20/95/766642095.db2.gz YENTYJRKXMMHNV-HUUCEWRRSA-N 1 1 330.436 0.298 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nnn(C)c3C)CC2)C1 ZINC001046015990 766651010 /nfs/dbraw/zinc/65/10/10/766651010.db2.gz ZUMCIJHPYHUJTM-OAHLLOKOSA-N 1 1 332.452 0.532 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046017001 766652010 /nfs/dbraw/zinc/65/20/10/766652010.db2.gz JQZYFOOKZMFUGQ-DZGCQCFKSA-N 1 1 331.420 0.099 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)c1 ZINC001046017917 766654519 /nfs/dbraw/zinc/65/45/19/766654519.db2.gz RNCUCGXVUFQGTE-HNNXBMFYSA-N 1 1 331.420 0.101 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 ZINC000992474390 766661055 /nfs/dbraw/zinc/66/10/55/766661055.db2.gz LVLZUZXDPPTPSF-DYVFJYSZSA-N 1 1 334.420 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cc3nc4ncccn4n3)CCC[C@@H]12 ZINC000992478016 766671043 /nfs/dbraw/zinc/67/10/43/766671043.db2.gz OVOYGFUVROATMV-RDTXWAMCSA-N 1 1 338.415 0.803 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1OC ZINC001212262176 766674716 /nfs/dbraw/zinc/67/47/16/766674716.db2.gz FUPKVNBNWOUYDR-HZPDHXFCSA-N 1 1 326.437 0.514 20 30 ECEDMO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001213271142 766675728 /nfs/dbraw/zinc/67/57/28/766675728.db2.gz KAKPHJHAQLYQEW-ARFHVFGLSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001213271142 766675733 /nfs/dbraw/zinc/67/57/33/766675733.db2.gz KAKPHJHAQLYQEW-ARFHVFGLSA-N 1 1 337.464 0.862 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc(C)o3)CC2)C1 ZINC001046024958 766677356 /nfs/dbraw/zinc/67/73/56/766677356.db2.gz ACJHKXMSSLHNOD-HNNXBMFYSA-N 1 1 331.420 0.162 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CC)n3)CC2)C1 ZINC001046025210 766678632 /nfs/dbraw/zinc/67/86/32/766678632.db2.gz DOKNTNNHFSPKNE-HNNXBMFYSA-N 1 1 330.436 0.153 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC001046026892 766684182 /nfs/dbraw/zinc/68/41/82/766684182.db2.gz GURWPDOFVLZYJK-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnc(C3CC3)o2)C1 ZINC000994750863 766686860 /nfs/dbraw/zinc/68/68/60/766686860.db2.gz DKMZFMJEUPKKGG-AWEZNQCLSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnc(C3CC3)o2)C1 ZINC000994750863 766686864 /nfs/dbraw/zinc/68/68/64/766686864.db2.gz DKMZFMJEUPKKGG-AWEZNQCLSA-N 1 1 342.399 0.590 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC001046027574 766687004 /nfs/dbraw/zinc/68/70/04/766687004.db2.gz QBOFFEPRKRXBSV-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc(C)[nH]3)CC2)C1 ZINC001046028419 766691599 /nfs/dbraw/zinc/69/15/99/766691599.db2.gz BQIYHTCMFFFCSW-INIZCTEOSA-N 1 1 346.479 0.840 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cccs2)C1 ZINC000994749779 766692674 /nfs/dbraw/zinc/69/26/74/766692674.db2.gz DFXUUXKFYLCNJX-HNNXBMFYSA-N 1 1 331.441 0.715 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cccs2)C1 ZINC000994749779 766692679 /nfs/dbraw/zinc/69/26/79/766692679.db2.gz DFXUUXKFYLCNJX-HNNXBMFYSA-N 1 1 331.441 0.715 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnnn3CC)CC2)C1 ZINC001046029619 766693536 /nfs/dbraw/zinc/69/35/36/766693536.db2.gz XGDDGODPEGPQRK-OAHLLOKOSA-N 1 1 332.452 0.706 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ncoc2C)C1 ZINC001016669872 766697466 /nfs/dbraw/zinc/69/74/66/766697466.db2.gz DQMARICJDDLDNB-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ncoc2C)C1 ZINC001016669872 766697468 /nfs/dbraw/zinc/69/74/68/766697468.db2.gz DQMARICJDDLDNB-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)c3ccnn3C)CC2)C1 ZINC001046031764 766702481 /nfs/dbraw/zinc/70/24/81/766702481.db2.gz VJBLEBIHHDDWTO-JKSUJKDBSA-N 1 1 331.464 0.928 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)nnc3C)CC2)C1 ZINC001046032329 766703946 /nfs/dbraw/zinc/70/39/46/766703946.db2.gz AUBSMBKEWJKAFF-QGZVFWFLSA-N 1 1 341.459 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2Cl)C1 ZINC000994752980 766704816 /nfs/dbraw/zinc/70/48/16/766704816.db2.gz XGGRIOSJQDRMKZ-AWEZNQCLSA-N 1 1 346.818 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2Cl)C1 ZINC000994752980 766704820 /nfs/dbraw/zinc/70/48/20/766704820.db2.gz XGGRIOSJQDRMKZ-AWEZNQCLSA-N 1 1 346.818 0.773 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnn3C(F)F)CC2)C1 ZINC001046032481 766705977 /nfs/dbraw/zinc/70/59/77/766705977.db2.gz DLFUHWLPZWWDNA-CYBMUJFWSA-N 1 1 337.374 0.744 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000994754612 766707309 /nfs/dbraw/zinc/70/73/09/766707309.db2.gz NIHWGRSPAGUPRQ-OAGGEKHMSA-N 1 1 341.411 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000994754612 766707313 /nfs/dbraw/zinc/70/73/13/766707313.db2.gz NIHWGRSPAGUPRQ-OAGGEKHMSA-N 1 1 341.411 0.808 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033205 766708205 /nfs/dbraw/zinc/70/82/05/766708205.db2.gz AXABPXNAMDQBJM-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncnc2CC)C1 ZINC000994754988 766709548 /nfs/dbraw/zinc/70/95/48/766709548.db2.gz PIMWJHQPPVGREN-INIZCTEOSA-N 1 1 341.415 0.077 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncnc2CC)C1 ZINC000994754988 766709552 /nfs/dbraw/zinc/70/95/52/766709552.db2.gz PIMWJHQPPVGREN-INIZCTEOSA-N 1 1 341.415 0.077 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(OC)cs2)C1 ZINC000994753544 766711337 /nfs/dbraw/zinc/71/13/37/766711337.db2.gz IFPHFGNGHAQVCF-AWEZNQCLSA-N 1 1 347.440 0.795 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(OC)cs2)C1 ZINC000994753544 766711341 /nfs/dbraw/zinc/71/13/41/766711341.db2.gz IFPHFGNGHAQVCF-AWEZNQCLSA-N 1 1 347.440 0.795 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccccc2OC)C1 ZINC000994755098 766712304 /nfs/dbraw/zinc/71/23/04/766712304.db2.gz PWMVGPABVZETEK-INIZCTEOSA-N 1 1 341.411 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccccc2OC)C1 ZINC000994755098 766712306 /nfs/dbraw/zinc/71/23/06/766712306.db2.gz PWMVGPABVZETEK-INIZCTEOSA-N 1 1 341.411 0.733 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046035048 766717246 /nfs/dbraw/zinc/71/72/46/766717246.db2.gz CHDIRZGCERSGBL-IRXDYDNUSA-N 1 1 348.491 0.697 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@H]12 ZINC000992499670 766720519 /nfs/dbraw/zinc/72/05/19/766720519.db2.gz NQCFZVMUWVYNLT-SGMGOOAPSA-N 1 1 347.868 0.544 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@H]12 ZINC000992499670 766720524 /nfs/dbraw/zinc/72/05/24/766720524.db2.gz NQCFZVMUWVYNLT-SGMGOOAPSA-N 1 1 347.868 0.544 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(=O)cc2C)C1 ZINC000994756558 766721962 /nfs/dbraw/zinc/72/19/62/766721962.db2.gz XVHYHJIPXMMLMD-HNNXBMFYSA-N 1 1 342.399 0.134 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(=O)cc2C)C1 ZINC000994756558 766721965 /nfs/dbraw/zinc/72/19/65/766721965.db2.gz XVHYHJIPXMMLMD-HNNXBMFYSA-N 1 1 342.399 0.134 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2cscn2)C1 ZINC000994755997 766722487 /nfs/dbraw/zinc/72/24/87/766722487.db2.gz SYXAFHZWTJXZGM-HNNXBMFYSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2cscn2)C1 ZINC000994755997 766722489 /nfs/dbraw/zinc/72/24/89/766722489.db2.gz SYXAFHZWTJXZGM-HNNXBMFYSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000994756176 766723913 /nfs/dbraw/zinc/72/39/13/766723913.db2.gz UUWQWCSRFPNXEE-IRXDYDNUSA-N 1 1 346.475 0.284 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)C1 ZINC001046036447 766726977 /nfs/dbraw/zinc/72/69/77/766726977.db2.gz KLEKULXFIDHZCD-MAUKXSAKSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 ZINC001046036892 766730019 /nfs/dbraw/zinc/73/00/19/766730019.db2.gz IUTDYRVVVMYCGA-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC001046037648 766735167 /nfs/dbraw/zinc/73/51/67/766735167.db2.gz VQDQVHODGTYBMB-HNNXBMFYSA-N 1 1 331.420 0.590 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046040593 766748098 /nfs/dbraw/zinc/74/80/98/766748098.db2.gz FPRUFTRHFFCXIY-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC001046040733 766749560 /nfs/dbraw/zinc/74/95/60/766749560.db2.gz HZUBLEJYPVRDQO-QGZVFWFLSA-N 1 1 344.459 0.794 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3Cl)CC2)C1 ZINC001046041304 766750525 /nfs/dbraw/zinc/75/05/25/766750525.db2.gz QIDYIFZBZJGTNU-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)C1 ZINC001046041190 766750691 /nfs/dbraw/zinc/75/06/91/766750691.db2.gz FQROIKNGWMLQIN-CVEARBPZSA-N 1 1 349.479 0.182 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC001046042047 766755109 /nfs/dbraw/zinc/75/51/09/766755109.db2.gz RCFDDFUZAHTODM-QZTJIDSGSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cccc4ncnn43)CC2)C1 ZINC001046042686 766756716 /nfs/dbraw/zinc/75/67/16/766756716.db2.gz ZVIBILFWCIMLBX-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]nc3C(C)C)CC2)C1 ZINC001046043164 766760194 /nfs/dbraw/zinc/76/01/94/766760194.db2.gz XCSWJSSYUKQRSS-OAHLLOKOSA-N 1 1 329.448 0.998 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1OC ZINC001212264772 766760810 /nfs/dbraw/zinc/76/08/10/766760810.db2.gz RCYSTLGGVOIPDC-BZUAXINKSA-N 1 1 326.437 0.655 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3nc(C)cc3C)CC2)C1 ZINC001046044024 766764260 /nfs/dbraw/zinc/76/42/60/766764260.db2.gz HYBKZGNQFMSGID-QGZVFWFLSA-N 1 1 329.448 0.352 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC001046044209 766766481 /nfs/dbraw/zinc/76/64/81/766766481.db2.gz KOOPSBUDHKGKCG-INIZCTEOSA-N 1 1 342.443 0.241 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)n(C)n3)CC2)C1 ZINC001046044187 766766601 /nfs/dbraw/zinc/76/66/01/766766601.db2.gz JSVBQUZRSLIDES-AWEZNQCLSA-N 1 1 333.436 0.447 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncc(OC)cn3)CC2)C1 ZINC001046044637 766767710 /nfs/dbraw/zinc/76/77/10/766767710.db2.gz NIMGDLYWLBRXDU-CQSZACIVSA-N 1 1 331.420 0.503 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001046047006 766776126 /nfs/dbraw/zinc/77/61/26/766776126.db2.gz LABOTJFGDSWREF-IRXDYDNUSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(C(N)=O)nc3)CCC[C@H]12 ZINC000992530103 766782591 /nfs/dbraw/zinc/78/25/91/766782591.db2.gz JGPZFMULKJFHRD-MAUKXSAKSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3nc(C)no3)CC2)C1 ZINC001046049561 766783049 /nfs/dbraw/zinc/78/30/49/766783049.db2.gz RSOOZYPGCSZHMT-INIZCTEOSA-N 1 1 345.447 0.552 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2COC3(C[NH+](CC[C@H]4CCOC4)C3)C2)c1 ZINC001053766827 766786813 /nfs/dbraw/zinc/78/68/13/766786813.db2.gz WTBZGVOPEBJBCY-DZGCQCFKSA-N 1 1 344.415 0.886 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CC1 ZINC001046051490 766792536 /nfs/dbraw/zinc/79/25/36/766792536.db2.gz INOHHOHMMVQUAC-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1 ZINC001046052214 766792863 /nfs/dbraw/zinc/79/28/63/766792863.db2.gz VLUWVWDWNJHGGF-HNNXBMFYSA-N 1 1 347.463 0.924 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)c3cncnc3)CC2)C1 ZINC001046054794 766802427 /nfs/dbraw/zinc/80/24/27/766802427.db2.gz QCGBPOWJOFDDGD-WMZOPIPTSA-N 1 1 341.459 0.822 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3occc3CN(C)C)CC2)C1 ZINC001046055176 766804805 /nfs/dbraw/zinc/80/48/05/766804805.db2.gz UDLOTGTUTWGHSM-QGZVFWFLSA-N 1 1 344.459 0.807 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3occc3CN(C)C)CC2)C1 ZINC001046055176 766804815 /nfs/dbraw/zinc/80/48/15/766804815.db2.gz UDLOTGTUTWGHSM-QGZVFWFLSA-N 1 1 344.459 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(OC2CCN(C(C)=O)CC2)C1 ZINC000994783398 766810613 /nfs/dbraw/zinc/81/06/13/766810613.db2.gz HVMLXLAKBJXJDU-KRWDZBQOSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(OC2CCN(C(C)=O)CC2)C1 ZINC000994783398 766810622 /nfs/dbraw/zinc/81/06/22/766810622.db2.gz HVMLXLAKBJXJDU-KRWDZBQOSA-N 1 1 333.432 0.322 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(F)CCOC3)CC2)C1 ZINC001046057343 766815130 /nfs/dbraw/zinc/81/51/30/766815130.db2.gz YOMOKFPUXDZKGT-RDJZCZTQSA-N 1 1 325.428 0.910 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)cc3C)CC2)C1 ZINC001046062974 766835320 /nfs/dbraw/zinc/83/53/20/766835320.db2.gz XKKUZVPFJCSTBA-HNNXBMFYSA-N 1 1 328.416 0.561 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CC=C)nn3)CC2)C1 ZINC001046068057 766861313 /nfs/dbraw/zinc/86/13/13/766861313.db2.gz BVBOAOAHBIUKET-MRXNPFEDSA-N 1 1 344.463 0.872 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046070445 766873679 /nfs/dbraw/zinc/87/36/79/766873679.db2.gz VOLXGPTWKQIHNH-AEFFLSMTSA-N 1 1 343.475 0.830 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046070445 766873693 /nfs/dbraw/zinc/87/36/93/766873693.db2.gz VOLXGPTWKQIHNH-AEFFLSMTSA-N 1 1 343.475 0.830 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046070445 766873701 /nfs/dbraw/zinc/87/37/01/766873701.db2.gz VOLXGPTWKQIHNH-AEFFLSMTSA-N 1 1 343.475 0.830 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001016765264 766874462 /nfs/dbraw/zinc/87/44/62/766874462.db2.gz GEQXPCNQZATKBX-XEBKBJJBSA-N 1 1 343.431 0.947 20 30 ECEDMO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001089651157 766877929 /nfs/dbraw/zinc/87/79/29/766877929.db2.gz QONVKQZCNLZSGW-GFCCVEGCSA-N 1 1 327.392 0.884 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC001046074179 766889643 /nfs/dbraw/zinc/88/96/43/766889643.db2.gz UTJVJPHCKWBXLX-MRXNPFEDSA-N 1 1 347.467 0.248 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nonc3C)CC2)C1 ZINC001046075424 766894852 /nfs/dbraw/zinc/89/48/52/766894852.db2.gz SOQSYKDXKWMGQN-HNNXBMFYSA-N 1 1 333.436 0.715 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(OC)cc[nH]c3=O)CC2)C1 ZINC001046076380 766902639 /nfs/dbraw/zinc/90/26/39/766902639.db2.gz MSEGCXXQUCENTR-AWEZNQCLSA-N 1 1 344.415 0.261 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3Cl)CC2)C1 ZINC001046076712 766904941 /nfs/dbraw/zinc/90/49/41/766904941.db2.gz IBZGFXKFJJYILG-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC001046078562 766910556 /nfs/dbraw/zinc/91/05/56/766910556.db2.gz ZOBYJXTWBWRCAY-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC001046078698 766912134 /nfs/dbraw/zinc/91/21/34/766912134.db2.gz OLJPHGNNTWKQIO-MSOLQXFVSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC001046080328 766916378 /nfs/dbraw/zinc/91/63/78/766916378.db2.gz FGZLJMOVCLRSSS-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)CO2 ZINC001053820529 766934307 /nfs/dbraw/zinc/93/43/07/766934307.db2.gz DXEHBUACRKCJRO-OLZOCXBDSA-N 1 1 335.404 0.060 20 30 ECEDMO N#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CO2 ZINC001053830173 766962725 /nfs/dbraw/zinc/96/27/25/766962725.db2.gz STQSAPFGAYJLHT-ZBFHGGJFSA-N 1 1 332.448 0.876 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3n[nH]nc3c1)CO2 ZINC001053831201 766965688 /nfs/dbraw/zinc/96/56/88/766965688.db2.gz WGLXTGBPWDEQFP-GFCCVEGCSA-N 1 1 328.376 0.502 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001089671020 766977807 /nfs/dbraw/zinc/97/78/07/766977807.db2.gz DBXJWQQKPPKZNK-HIFRSBDPSA-N 1 1 343.431 0.606 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2csnn2)C1 ZINC001031740733 766986574 /nfs/dbraw/zinc/98/65/74/766986574.db2.gz KDMXGYIBDBSGSO-WFASDCNBSA-N 1 1 333.461 0.745 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2csnn2)C1 ZINC001031740733 766986580 /nfs/dbraw/zinc/98/65/80/766986580.db2.gz KDMXGYIBDBSGSO-WFASDCNBSA-N 1 1 333.461 0.745 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnc4n3CCC4)C2)C1=O ZINC001031741592 766992370 /nfs/dbraw/zinc/99/23/70/766992370.db2.gz FEMSZMQGYVGDFH-CQSZACIVSA-N 1 1 343.431 0.278 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)nc1COC)CO2 ZINC001053850990 767017516 /nfs/dbraw/zinc/01/75/16/767017516.db2.gz IEAKTKHVLVWAMU-ZDUSSCGKSA-N 1 1 334.420 0.716 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC3N=NC(=O)N3C1)CO2 ZINC001053851089 767018858 /nfs/dbraw/zinc/01/88/58/767018858.db2.gz KBZWMEKVERPWBS-CHWSQXEVSA-N 1 1 347.419 0.082 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046197708 767048416 /nfs/dbraw/zinc/04/84/16/767048416.db2.gz ONPGUBXXMXTJNY-QAPCUYQASA-N 1 1 326.400 0.917 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)CO2 ZINC001053865119 767069832 /nfs/dbraw/zinc/06/98/32/767069832.db2.gz RHFKVXHZJVTHGI-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046223034 767090615 /nfs/dbraw/zinc/09/06/15/767090615.db2.gz GEYCCKIQOTZSRO-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046223034 767090625 /nfs/dbraw/zinc/09/06/25/767090625.db2.gz GEYCCKIQOTZSRO-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)cc1=O ZINC001046224653 767093037 /nfs/dbraw/zinc/09/30/37/767093037.db2.gz UBLCQJNDCRDXSX-SFHVURJKSA-N 1 1 339.399 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(F)c[nH]2)C1 ZINC000938756470 767107199 /nfs/dbraw/zinc/10/71/99/767107199.db2.gz PRJMYSIAJFLPNU-ZBFHGGJFSA-N 1 1 346.406 0.924 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(F)c[nH]2)C1 ZINC000938756470 767107202 /nfs/dbraw/zinc/10/72/02/767107202.db2.gz PRJMYSIAJFLPNU-ZBFHGGJFSA-N 1 1 346.406 0.924 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@H](OC)C1 ZINC001212279091 767108183 /nfs/dbraw/zinc/10/81/83/767108183.db2.gz DZTSEGNBGQTZSZ-ZIAGYGMSSA-N 1 1 344.477 0.593 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@H](OC)C1 ZINC001212279091 767108185 /nfs/dbraw/zinc/10/81/85/767108185.db2.gz DZTSEGNBGQTZSZ-ZIAGYGMSSA-N 1 1 344.477 0.593 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)cc1=O ZINC001046252470 767110579 /nfs/dbraw/zinc/11/05/79/767110579.db2.gz ASLIBRQSDUTMOS-GOSISDBHSA-N 1 1 339.399 0.979 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000938824500 767122745 /nfs/dbraw/zinc/12/27/45/767122745.db2.gz FKPHFVZPOQZPRE-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001089725107 767130813 /nfs/dbraw/zinc/13/08/13/767130813.db2.gz FZIRZCWTYYUEHN-GFCCVEGCSA-N 1 1 342.403 0.271 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046321235 767146924 /nfs/dbraw/zinc/14/69/24/767146924.db2.gz OCPYJKBIRHXGJG-SUMWQHHRSA-N 1 1 331.420 0.919 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001046400688 767196893 /nfs/dbraw/zinc/19/68/93/767196893.db2.gz UFFVDICXMROBDC-GUYCJALGSA-N 1 1 345.403 0.163 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCC(=O)N1C)CO2 ZINC001053887107 767204953 /nfs/dbraw/zinc/20/49/53/767204953.db2.gz HQIVDFGNNJHAPG-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CN=NC1=O ZINC001089795685 767220598 /nfs/dbraw/zinc/22/05/98/767220598.db2.gz PPJXKFLSBTWEQD-YJNKXOJESA-N 1 1 331.420 0.729 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CN(C(C)=O)C1 ZINC001089797373 767221988 /nfs/dbraw/zinc/22/19/88/767221988.db2.gz NATVHFIZHIFXQC-OWLYRPNTSA-N 1 1 329.444 0.657 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1nnc(C)[nH]1 ZINC001089806396 767233876 /nfs/dbraw/zinc/23/38/76/767233876.db2.gz POVYDNWPSDVSPU-FZKCQIBNSA-N 1 1 327.432 0.848 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccnc(OC)c3)C2)C1=O ZINC001031804869 767245915 /nfs/dbraw/zinc/24/59/15/767245915.db2.gz PQDLBJPCFIUTHU-HNNXBMFYSA-N 1 1 344.415 0.539 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn3nnnc3c1)CO2 ZINC001053891074 767248236 /nfs/dbraw/zinc/24/82/36/767248236.db2.gz PVWCUYOQMZKCKE-CQSZACIVSA-N 1 1 342.403 0.664 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccn2nnnc12 ZINC001089811293 767255158 /nfs/dbraw/zinc/25/51/58/767255158.db2.gz FHHIAINHYZZUBR-UKMLZYKCSA-N 1 1 336.399 0.540 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046538540 767289122 /nfs/dbraw/zinc/28/91/22/767289122.db2.gz KPVPUDLPXMDQQR-CRAIPNDOSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046538540 767289123 /nfs/dbraw/zinc/28/91/23/767289123.db2.gz KPVPUDLPXMDQQR-CRAIPNDOSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ocnc1CC ZINC001078287491 782618783 /nfs/dbraw/zinc/61/87/83/782618783.db2.gz MSNYPDOUJGOEQF-ZFWWWQNUSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ocnc1CC ZINC001078287491 782618790 /nfs/dbraw/zinc/61/87/90/782618790.db2.gz MSNYPDOUJGOEQF-ZFWWWQNUSA-N 1 1 346.431 0.959 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC000994970179 767312140 /nfs/dbraw/zinc/31/21/40/767312140.db2.gz CEJYUURIILFUIT-UONOGXRCSA-N 1 1 343.435 0.886 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nnn(C)c3C1)CO2 ZINC001053908488 767329882 /nfs/dbraw/zinc/32/98/82/767329882.db2.gz UTARDSTTXNJKBF-KGLIPLIRSA-N 1 1 345.447 0.456 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn[nH]c(=O)c1 ZINC001089823285 767339611 /nfs/dbraw/zinc/33/96/11/767339611.db2.gz FHCIIIDIFVUMNZ-XZDPQHSOSA-N 1 1 326.400 0.988 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)cn1 ZINC001089826160 767348957 /nfs/dbraw/zinc/34/89/57/767348957.db2.gz GNIPRFMGZBGNFB-HWMZRRJGSA-N 1 1 340.427 0.586 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@]34CCC[C@H]3OCC4)C2)C1=O ZINC001031843226 767364947 /nfs/dbraw/zinc/36/49/47/767364947.db2.gz QAGFMVIEZDUQSA-MDZRGWNJSA-N 1 1 347.459 0.781 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001106146449 767367514 /nfs/dbraw/zinc/36/75/14/767367514.db2.gz AAFHPFADIVELCE-KBPBESRZSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1cc(C(C)C)ncn1 ZINC001106155418 767393443 /nfs/dbraw/zinc/39/34/43/767393443.db2.gz YCGYRNWKKQEQJS-ZBFHGGJFSA-N 1 1 345.447 0.587 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1cc(C(C)C)ncn1 ZINC001106155418 767393452 /nfs/dbraw/zinc/39/34/52/767393452.db2.gz YCGYRNWKKQEQJS-ZBFHGGJFSA-N 1 1 345.447 0.587 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC001089832358 767396136 /nfs/dbraw/zinc/39/61/36/767396136.db2.gz USXHMWURAZKQAK-YVSFHVDLSA-N 1 1 344.459 0.594 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(=O)n(C)c1 ZINC001089832605 767397628 /nfs/dbraw/zinc/39/76/28/767397628.db2.gz WKUDVPFWNTZZOP-LLLHUVSDSA-N 1 1 325.412 0.801 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)CO2 ZINC001053941545 767411838 /nfs/dbraw/zinc/41/18/38/767411838.db2.gz WULLZAXUEJFYFD-HNNXBMFYSA-N 1 1 330.432 0.989 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001046642889 767412107 /nfs/dbraw/zinc/41/21/07/767412107.db2.gz YFKXBMUGLGOKDS-IMJJTQAJSA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001046642889 767412110 /nfs/dbraw/zinc/41/21/10/767412110.db2.gz YFKXBMUGLGOKDS-IMJJTQAJSA-N 1 1 338.415 0.753 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3nccnc3C#N)C2)O1 ZINC001046647370 767415015 /nfs/dbraw/zinc/41/50/15/767415015.db2.gz QWPHNCNKDSOCKW-GUIRCDHDSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3nccnc3C#N)C2)O1 ZINC001046647370 767415019 /nfs/dbraw/zinc/41/50/19/767415019.db2.gz QWPHNCNKDSOCKW-GUIRCDHDSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)O1 ZINC001046647754 767415215 /nfs/dbraw/zinc/41/52/15/767415215.db2.gz XSHOSENHIQKUFZ-DMRZNYOFSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)O1 ZINC001046647754 767415218 /nfs/dbraw/zinc/41/52/18/767415218.db2.gz XSHOSENHIQKUFZ-DMRZNYOFSA-N 1 1 343.431 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001089835550 767427537 /nfs/dbraw/zinc/42/75/37/767427537.db2.gz WCJMZFCMVBDBOT-XGUBFFRZSA-N 1 1 344.415 0.304 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 ZINC001127649373 767437002 /nfs/dbraw/zinc/43/70/02/767437002.db2.gz NJQCUUGKYRHRMS-UHFFFAOYSA-N 1 1 337.387 0.806 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CCN([C@@H](C)C(N)=O)CC3)CC1 ZINC001016984071 767437986 /nfs/dbraw/zinc/43/79/86/767437986.db2.gz BXVQTPYCWHCQIJ-HOCLYGCPSA-N 1 1 346.475 0.176 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001046671968 767452303 /nfs/dbraw/zinc/45/23/03/767452303.db2.gz OCMKAHJGIUIIGW-CQSZACIVSA-N 1 1 335.448 0.517 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CCC[C@H]3C)C2)CCC1 ZINC001046672004 767452586 /nfs/dbraw/zinc/45/25/86/767452586.db2.gz OZAZPAJDAMOSDV-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001046683530 767474732 /nfs/dbraw/zinc/47/47/32/767474732.db2.gz BTGLGUUKKKVLDU-ZDUSSCGKSA-N 1 1 335.448 0.374 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001106169796 767480220 /nfs/dbraw/zinc/48/02/20/767480220.db2.gz LZAPDPZJEIKKEG-CABCVRRESA-N 1 1 346.435 0.358 20 30 ECEDMO CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001046695017 767497427 /nfs/dbraw/zinc/49/74/27/767497427.db2.gz ATCRUJOEDVEEAI-UHFFFAOYSA-N 1 1 349.475 0.457 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001046697477 767505790 /nfs/dbraw/zinc/50/57/90/767505790.db2.gz KYAJLWIPRYUPSO-PTXATLKXSA-N 1 1 334.420 0.521 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)cn1 ZINC001053984572 767532317 /nfs/dbraw/zinc/53/23/17/767532317.db2.gz AFXFHXHFJUJKKI-PBHICJAKSA-N 1 1 341.411 0.673 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001046753308 767590843 /nfs/dbraw/zinc/59/08/43/767590843.db2.gz UNNSEBWKPWQONX-NOLJZWGESA-N 1 1 329.404 0.012 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001046753308 767590849 /nfs/dbraw/zinc/59/08/49/767590849.db2.gz UNNSEBWKPWQONX-NOLJZWGESA-N 1 1 329.404 0.012 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(N)=O)cn1)CO2 ZINC001054021873 767616810 /nfs/dbraw/zinc/61/68/10/767616810.db2.gz WPCUALZUUSNVFN-ZDUSSCGKSA-N 1 1 330.388 0.330 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001046768759 767617514 /nfs/dbraw/zinc/61/75/14/767617514.db2.gz FLXYKIHCHQBYRQ-MRXNPFEDSA-N 1 1 330.392 0.578 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001054036617 767636044 /nfs/dbraw/zinc/63/60/44/767636044.db2.gz OXVBQCROLQEWQL-QZTJIDSGSA-N 1 1 327.428 0.493 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001054036617 767636048 /nfs/dbraw/zinc/63/60/48/767636048.db2.gz OXVBQCROLQEWQL-QZTJIDSGSA-N 1 1 327.428 0.493 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1CCO ZINC001054044129 767642899 /nfs/dbraw/zinc/64/28/99/767642899.db2.gz RVIORJVELGMFBN-OALUTQOASA-N 1 1 341.455 0.619 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1CCO ZINC001054044129 767642903 /nfs/dbraw/zinc/64/29/03/767642903.db2.gz RVIORJVELGMFBN-OALUTQOASA-N 1 1 341.455 0.619 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)COC)C[C@H]2C(F)(F)F)C1=O ZINC001099191715 767657580 /nfs/dbraw/zinc/65/75/80/767657580.db2.gz IEKPABITSBERAW-IJLUTSLNSA-N 1 1 349.353 0.399 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001054112587 767702079 /nfs/dbraw/zinc/70/20/79/767702079.db2.gz PHHZGZNHMGRACV-QGZVFWFLSA-N 1 1 329.404 0.560 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001054130527 767724662 /nfs/dbraw/zinc/72/46/62/767724662.db2.gz RNDPQHHQVKXUHW-KXBFYZLASA-N 1 1 343.427 0.520 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)C#CC2CC2)C3)C1=O ZINC001054131014 767726138 /nfs/dbraw/zinc/72/61/38/767726138.db2.gz CNRMUHNBIXZKMS-LPHOPBHVSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001054147376 767742249 /nfs/dbraw/zinc/74/22/49/767742249.db2.gz PPUUWJLZMORSMW-PKOBYXMFSA-N 1 1 333.476 0.781 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001054160965 767759763 /nfs/dbraw/zinc/75/97/63/767759763.db2.gz TXGGGCJAPIJAKP-QGZVFWFLSA-N 1 1 332.404 0.449 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001054161731 767759850 /nfs/dbraw/zinc/75/98/50/767759850.db2.gz NLQARMBIPJKQQM-HOCLYGCPSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001054161731 767759854 /nfs/dbraw/zinc/75/98/54/767759854.db2.gz NLQARMBIPJKQQM-HOCLYGCPSA-N 1 1 326.462 0.922 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1 ZINC000992895686 767762912 /nfs/dbraw/zinc/76/29/12/767762912.db2.gz NKROGNLEWGJJBO-FRQCXROJSA-N 1 1 345.443 0.037 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1 ZINC000992895686 767762918 /nfs/dbraw/zinc/76/29/18/767762918.db2.gz NKROGNLEWGJJBO-FRQCXROJSA-N 1 1 345.443 0.037 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001054175787 767774378 /nfs/dbraw/zinc/77/43/78/767774378.db2.gz VTFVSKDJYPWIQU-SFHVURJKSA-N 1 1 334.464 0.309 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccoc1CC(N)=O)C2 ZINC001054185515 767784300 /nfs/dbraw/zinc/78/43/00/767784300.db2.gz DEFHYUICWJIOAD-GOSISDBHSA-N 1 1 329.400 0.869 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@]3(CC[N@H+](CC(=O)NC)C3)C2)nn1 ZINC001054210051 767806734 /nfs/dbraw/zinc/80/67/34/767806734.db2.gz DQMBBOCOIZQOHX-QGZVFWFLSA-N 1 1 346.435 0.138 20 30 ECEDMO CC#CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780757 767817287 /nfs/dbraw/zinc/81/72/87/767817287.db2.gz ZEFCJGWYEALQTN-HOCLYGCPSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cnccc1=O)C2 ZINC001054220472 767824285 /nfs/dbraw/zinc/82/42/85/767824285.db2.gz GCCMCGUOMOIOMQ-IBGZPJMESA-N 1 1 342.443 0.971 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001054237724 767846917 /nfs/dbraw/zinc/84/69/17/767846917.db2.gz AXAJYYYRNMWAKZ-SUMWQHHRSA-N 1 1 334.420 0.475 20 30 ECEDMO CN(CCOCCNc1nccnc1C#N)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001127346847 768370493 /nfs/dbraw/zinc/37/04/93/768370493.db2.gz GDJRYPLUBVQFLN-CQSZACIVSA-N 1 1 346.435 0.577 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(C)CCOCCNc1nc(C)cc(C#N)n1 ZINC001127346926 768370654 /nfs/dbraw/zinc/37/06/54/768370654.db2.gz IUXKUSNNXZPHCQ-UHFFFAOYSA-N 1 1 348.451 0.885 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccncc2C#N)C1 ZINC001106539508 768419233 /nfs/dbraw/zinc/41/92/33/768419233.db2.gz NNVNXSXRUGKKHJ-WMLDXEAASA-N 1 1 345.447 0.791 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccncc2C#N)C1 ZINC001106539508 768419235 /nfs/dbraw/zinc/41/92/35/768419235.db2.gz NNVNXSXRUGKKHJ-WMLDXEAASA-N 1 1 345.447 0.791 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083731806 768422875 /nfs/dbraw/zinc/42/28/75/768422875.db2.gz PBMJFOSJXGEUIL-YUELXQCFSA-N 1 1 338.839 0.668 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)[C@@H](O)C1 ZINC001083733947 768570740 /nfs/dbraw/zinc/57/07/40/768570740.db2.gz LQECMEZQHMGKEW-MCIONIFRSA-N 1 1 331.407 0.701 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CCN1CCNC1=O ZINC000993236398 768629934 /nfs/dbraw/zinc/62/99/34/768629934.db2.gz PWTKHFBJCSDDOG-OCCSQVGLSA-N 1 1 344.419 0.494 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@@H]2C1 ZINC001055237780 768693624 /nfs/dbraw/zinc/69/36/24/768693624.db2.gz NALCEKDLVIPTGX-VVLHAWIVSA-N 1 1 347.459 0.733 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001055249796 768708005 /nfs/dbraw/zinc/70/80/05/768708005.db2.gz AWUAXOWNMNHDEF-HRCADAONSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055270002 768726929 /nfs/dbraw/zinc/72/69/29/768726929.db2.gz XKMRXLFDQGUHGM-OWCLPIDISA-N 1 1 333.432 0.037 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055270002 768726932 /nfs/dbraw/zinc/72/69/32/768726932.db2.gz XKMRXLFDQGUHGM-OWCLPIDISA-N 1 1 333.432 0.037 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001018122021 768760081 /nfs/dbraw/zinc/76/00/81/768760081.db2.gz KYSMAAQNAQESCW-OAGGEKHMSA-N 1 1 343.431 0.627 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001018122021 768760083 /nfs/dbraw/zinc/76/00/83/768760083.db2.gz KYSMAAQNAQESCW-OAGGEKHMSA-N 1 1 343.431 0.627 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001055313852 768770296 /nfs/dbraw/zinc/77/02/96/768770296.db2.gz FMPWSWQGTLLRIW-FDQIELQPSA-N 1 1 349.475 0.571 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357331 768812283 /nfs/dbraw/zinc/81/22/83/768812283.db2.gz DFLORFNGWHOMEV-WCXIOVBPSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001055376509 768832162 /nfs/dbraw/zinc/83/21/62/768832162.db2.gz LIKLXWOVSTWBFJ-IYBDPMFKSA-N 1 1 349.475 0.980 20 30 ECEDMO CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001106773300 768914093 /nfs/dbraw/zinc/91/40/93/768914093.db2.gz PHABKCZSDNCFNY-HNNXBMFYSA-N 1 1 346.435 0.638 20 30 ECEDMO CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001106773300 768914098 /nfs/dbraw/zinc/91/40/98/768914098.db2.gz PHABKCZSDNCFNY-HNNXBMFYSA-N 1 1 346.435 0.638 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001042068177 782710132 /nfs/dbraw/zinc/71/01/32/782710132.db2.gz WFMNBHNGHHRUCS-KBPBESRZSA-N 1 1 330.436 0.988 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C ZINC000993414170 768991879 /nfs/dbraw/zinc/99/18/79/768991879.db2.gz NCRCAZUMSYDBDM-UONOGXRCSA-N 1 1 334.420 0.092 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nc2ncccn2n1 ZINC001018265307 768998271 /nfs/dbraw/zinc/99/82/71/768998271.db2.gz FEOSTDFCNOKJBA-OKILXGFUSA-N 1 1 326.404 0.918 20 30 ECEDMO C=CCOCC(=O)NC1CC[NH+](CCNC(=O)c2ccon2)CC1 ZINC001055532065 769029967 /nfs/dbraw/zinc/02/99/67/769029967.db2.gz WLYMGPUBKNQXMV-UHFFFAOYSA-N 1 1 336.392 0.188 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(c2ccnc(C#N)n2)C3)C1 ZINC001055534531 769039334 /nfs/dbraw/zinc/03/93/34/769039334.db2.gz DIEKQQSVEHDUPE-DEYYWGMASA-N 1 1 340.431 0.775 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cocn2)CC1 ZINC001055542512 769065144 /nfs/dbraw/zinc/06/51/44/769065144.db2.gz DKSDKSSFZHJERL-UHFFFAOYSA-N 1 1 332.404 0.789 20 30 ECEDMO Cc1nscc1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055562467 769120556 /nfs/dbraw/zinc/12/05/56/769120556.db2.gz AUZFBEBRXGKHIJ-NSHDSACASA-N 1 1 349.460 0.922 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2ccns2)CC1 ZINC001055586236 769184085 /nfs/dbraw/zinc/18/40/85/769184085.db2.gz QKUMREZCVNPTDH-NSHDSACASA-N 1 1 335.433 0.613 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H](C)OC)C2)CC1 ZINC001018358908 769186920 /nfs/dbraw/zinc/18/69/20/769186920.db2.gz WYBAWUYLOZNXNH-JKSUJKDBSA-N 1 1 337.464 0.980 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C(=O)C(C)(C)C)CC1 ZINC001055629488 769295873 /nfs/dbraw/zinc/29/58/73/769295873.db2.gz BHLOOPBHPKLTOS-GFCCVEGCSA-N 1 1 336.436 0.458 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000993583932 769299014 /nfs/dbraw/zinc/29/90/14/769299014.db2.gz YSGRSKSONMGZIU-LSDHHAIUSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@H]1C ZINC000993585130 769300728 /nfs/dbraw/zinc/30/07/28/769300728.db2.gz KYLDQERGXHTDLI-CZUORRHYSA-N 1 1 329.400 0.767 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H]1C ZINC000993589656 769378244 /nfs/dbraw/zinc/37/82/44/769378244.db2.gz LLMDDJVBRLPEIA-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C ZINC000993593068 769385456 /nfs/dbraw/zinc/38/54/56/769385456.db2.gz XFWDXLPOUHWQFJ-HUUCEWRRSA-N 1 1 346.431 0.496 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C ZINC000993669822 769456198 /nfs/dbraw/zinc/45/61/98/769456198.db2.gz KVGDCQHMQBFXJM-JQWIXIFHSA-N 1 1 330.396 0.463 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H]1C ZINC000993671844 769458915 /nfs/dbraw/zinc/45/89/15/769458915.db2.gz NODVFZUXPLQMNQ-GJZGRUSLSA-N 1 1 341.415 0.488 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)c[nH]1 ZINC001007155664 769508921 /nfs/dbraw/zinc/50/89/21/769508921.db2.gz KJJWAXLSAQLPSC-CYBMUJFWSA-N 1 1 330.392 0.106 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ncc(C#N)cc3Cl)CC2)C1 ZINC001055750940 769596518 /nfs/dbraw/zinc/59/65/18/769596518.db2.gz LVAVWCMETJFVKJ-CQSZACIVSA-N 1 1 349.822 0.586 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ncc(C#N)cc3Cl)CC2)C1 ZINC001055750940 769596526 /nfs/dbraw/zinc/59/65/26/769596526.db2.gz LVAVWCMETJFVKJ-CQSZACIVSA-N 1 1 349.822 0.586 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)[C@H]2C)c1 ZINC000993774046 769600141 /nfs/dbraw/zinc/60/01/41/769600141.db2.gz SNQPUJIMQGQACV-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@H]2C)c1 ZINC000993774046 769600146 /nfs/dbraw/zinc/60/01/46/769600146.db2.gz SNQPUJIMQGQACV-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cn[nH]c2)[C@H](C)C1 ZINC000993774291 769600217 /nfs/dbraw/zinc/60/02/17/769600217.db2.gz NFRSYSLDPAVTJG-BMFZPTHFSA-N 1 1 343.431 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cn[nH]c2)[C@H](C)C1 ZINC000993774291 769600224 /nfs/dbraw/zinc/60/02/24/769600224.db2.gz NFRSYSLDPAVTJG-BMFZPTHFSA-N 1 1 343.431 0.332 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)[C@H]2C)C1 ZINC000993796356 769631478 /nfs/dbraw/zinc/63/14/78/769631478.db2.gz ZHAPQMVUVHXWHY-UONOGXRCSA-N 1 1 348.447 0.864 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1C ZINC001078359776 782771566 /nfs/dbraw/zinc/77/15/66/782771566.db2.gz DRHUYTXDWLQMQZ-OLZOCXBDSA-N 1 1 334.424 0.244 20 30 ECEDMO CCn1nc(C)c(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001018681762 769755565 /nfs/dbraw/zinc/75/55/65/769755565.db2.gz HNLCYINVEUNBAM-ZDUSSCGKSA-N 1 1 327.392 0.811 20 30 ECEDMO Cn1nc(C2CC2)nc1C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001018682694 769756407 /nfs/dbraw/zinc/75/64/07/769756407.db2.gz PZSHVUNCBOBGNY-ZDUSSCGKSA-N 1 1 339.403 0.897 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C(C)(F)F)C2)C1 ZINC001018687970 769765172 /nfs/dbraw/zinc/76/51/72/769765172.db2.gz HNUHWAFOKGTNDS-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C(C)(F)F)C2)C1 ZINC001018687970 769765183 /nfs/dbraw/zinc/76/51/83/769765183.db2.gz HNUHWAFOKGTNDS-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001055824613 769861689 /nfs/dbraw/zinc/86/16/89/769861689.db2.gz XUTCOEFTOAGVNQ-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001055824657 769862311 /nfs/dbraw/zinc/86/23/11/769862311.db2.gz YIIWAKYLFJSDAK-CRAIPNDOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H]1C ZINC000993921260 769884860 /nfs/dbraw/zinc/88/48/60/769884860.db2.gz WFZDBSMTYUAWGQ-KBPBESRZSA-N 1 1 344.419 0.436 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC000993990084 769970601 /nfs/dbraw/zinc/97/06/01/769970601.db2.gz QHKNYXXEUROIPP-HUUCEWRRSA-N 1 1 346.435 0.171 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 ZINC001042120353 782803687 /nfs/dbraw/zinc/80/36/87/782803687.db2.gz SKEUKIPWLBYMMD-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055894447 770122712 /nfs/dbraw/zinc/12/27/12/770122712.db2.gz CNKRHEUYQLWVMX-LPHOPBHVSA-N 1 1 349.475 0.744 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@@H]1C ZINC000994092839 770124497 /nfs/dbraw/zinc/12/44/97/770124497.db2.gz NGJXHGXTUPYZKS-JSGCOSHPSA-N 1 1 332.404 0.731 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)nn1 ZINC001055912540 770190165 /nfs/dbraw/zinc/19/01/65/770190165.db2.gz LNEOWMCKZHHQQV-HOCLYGCPSA-N 1 1 340.431 0.871 20 30 ECEDMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1 ZINC001078382913 782818340 /nfs/dbraw/zinc/81/83/40/782818340.db2.gz UIEPZIFXHPRTTJ-CYBMUJFWSA-N 1 1 343.391 0.036 20 30 ECEDMO N#Cc1cnc(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)cn1 ZINC001055928266 770250045 /nfs/dbraw/zinc/25/00/45/770250045.db2.gz OWTBDGHJGVPBSH-CQSZACIVSA-N 1 1 337.387 0.771 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C ZINC000994173316 770254000 /nfs/dbraw/zinc/25/40/00/770254000.db2.gz FLZRZSFSTQNDFE-CABCVRRESA-N 1 1 345.447 0.374 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H]1C ZINC000994173319 770254197 /nfs/dbraw/zinc/25/41/97/770254197.db2.gz FLZRZSFSTQNDFE-GJZGRUSLSA-N 1 1 345.447 0.374 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC(C)(C)C1 ZINC001089357298 770326739 /nfs/dbraw/zinc/32/67/39/770326739.db2.gz JMZKENGTNIXJAO-NEPJUHHUSA-N 1 1 331.420 0.981 20 30 ECEDMO C=C(C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055953624 770348766 /nfs/dbraw/zinc/34/87/66/770348766.db2.gz GYGHIZKWTHEJFS-QAPCUYQASA-N 1 1 337.464 0.764 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001055954344 770352212 /nfs/dbraw/zinc/35/22/12/770352212.db2.gz RCCVDYRAUPDRTG-LPHOPBHVSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3-n3cnnn3)C[C@@H]21 ZINC001042134222 782830135 /nfs/dbraw/zinc/83/01/35/782830135.db2.gz NKLGCAQKEUQQAI-JSGCOSHPSA-N 1 1 342.428 0.893 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)[C@@H]2C)nc1 ZINC000994234616 770364948 /nfs/dbraw/zinc/36/49/48/770364948.db2.gz CROBHKWMFMOROB-ZBFHGGJFSA-N 1 1 338.415 0.937 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001018972971 770437662 /nfs/dbraw/zinc/43/76/62/770437662.db2.gz YYLUZKNZNZCEDO-ZDUSSCGKSA-N 1 1 341.419 1.000 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)CC[N@H+]1C ZINC001055988645 770466998 /nfs/dbraw/zinc/46/69/98/770466998.db2.gz ILRQZAOFLNPQPJ-KBPBESRZSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2noc(CC)n2)C1 ZINC001018986173 770485898 /nfs/dbraw/zinc/48/58/98/770485898.db2.gz UDBUPEFLTVAPGA-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2noc(CC)n2)C1 ZINC001018986173 770485901 /nfs/dbraw/zinc/48/59/01/770485901.db2.gz UDBUPEFLTVAPGA-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001056013961 770552628 /nfs/dbraw/zinc/55/26/28/770552628.db2.gz PMRSUBIOASWYNL-GOSISDBHSA-N 1 1 346.431 0.465 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@H]1C ZINC000994335277 770634368 /nfs/dbraw/zinc/63/43/68/770634368.db2.gz GXIMKTRAFFKENS-ZIAGYGMSSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@H]1C ZINC000994335277 770634375 /nfs/dbraw/zinc/63/43/75/770634375.db2.gz GXIMKTRAFFKENS-ZIAGYGMSSA-N 1 1 326.404 0.957 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H](C)C#N)C3)CC[N@H+]1C ZINC001019071241 770713696 /nfs/dbraw/zinc/71/36/96/770713696.db2.gz AMEADTHLRNUQMB-SOUVJXGZSA-N 1 1 332.448 0.937 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001056067421 770732757 /nfs/dbraw/zinc/73/27/57/770732757.db2.gz CNVVVZZOUSZIPD-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001031419371 771039000 /nfs/dbraw/zinc/03/90/00/771039000.db2.gz YQJVNXKWKPEBGU-KRWDZBQOSA-N 1 1 328.416 0.579 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001031419371 771039006 /nfs/dbraw/zinc/03/90/06/771039006.db2.gz YQJVNXKWKPEBGU-KRWDZBQOSA-N 1 1 328.416 0.579 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001031419372 771039192 /nfs/dbraw/zinc/03/91/92/771039192.db2.gz YQJVNXKWKPEBGU-QGZVFWFLSA-N 1 1 328.416 0.579 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001031419372 771039199 /nfs/dbraw/zinc/03/91/99/771039199.db2.gz YQJVNXKWKPEBGU-QGZVFWFLSA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001056253586 771045802 /nfs/dbraw/zinc/04/58/02/771045802.db2.gz LPBQHRXALVTWGF-TXPWEPMLSA-N 1 1 325.416 0.846 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC(C)(C)C1 ZINC001089409508 771087866 /nfs/dbraw/zinc/08/78/66/771087866.db2.gz UIELSMMRHGTGGU-STQMWFEESA-N 1 1 334.420 0.215 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC(C)(C)C1 ZINC001089408820 771089117 /nfs/dbraw/zinc/08/91/17/771089117.db2.gz LRKWRRFOEMHEFZ-STQMWFEESA-N 1 1 334.420 0.215 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H](C)C#N)C3)C1 ZINC001019316348 771145303 /nfs/dbraw/zinc/14/53/03/771145303.db2.gz LMUJHYJYWQWPFU-LSDHHAIUSA-N 1 1 348.447 0.316 20 30 ECEDMO CC1(C)C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CCN(CC#N)C1 ZINC001089444965 771200308 /nfs/dbraw/zinc/20/03/08/771200308.db2.gz AGALGGDLQMWZNT-YJTLQXIOSA-N 1 1 346.475 0.980 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001019405793 771259992 /nfs/dbraw/zinc/25/99/92/771259992.db2.gz PRYDWOHZLDMNFI-MJBXVCDLSA-N 1 1 334.424 0.536 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127472781 771301500 /nfs/dbraw/zinc/30/15/00/771301500.db2.gz UIKLNVSFKZWBAL-HIFRSBDPSA-N 1 1 346.435 0.433 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001019488137 771352057 /nfs/dbraw/zinc/35/20/57/771352057.db2.gz SBWGMIGGRGJAKR-DZKIICNBSA-N 1 1 333.436 0.877 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001031594217 771366222 /nfs/dbraw/zinc/36/62/22/771366222.db2.gz BIKHUXCNVREAAX-OAHLLOKOSA-N 1 1 334.445 0.498 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001031594217 771366227 /nfs/dbraw/zinc/36/62/27/771366227.db2.gz BIKHUXCNVREAAX-OAHLLOKOSA-N 1 1 334.445 0.498 20 30 ECEDMO CC(C)(C)N1CC[C@H]([NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001031603920 771400969 /nfs/dbraw/zinc/40/09/69/771400969.db2.gz BMKVRJSPUZFVTG-HNNXBMFYSA-N 1 1 343.431 0.947 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2C[NH+]([C@H]3CCN(C4CCC4)C3=O)C2)[nH]1 ZINC001031619143 771466409 /nfs/dbraw/zinc/46/64/09/771466409.db2.gz LMROIHCGXRWHQM-INIZCTEOSA-N 1 1 341.415 0.701 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001056648249 771467491 /nfs/dbraw/zinc/46/74/91/771467491.db2.gz MWCXMNPKMYTVEK-UKRRQHHQSA-N 1 1 344.419 0.390 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001056648249 771467495 /nfs/dbraw/zinc/46/74/95/771467495.db2.gz MWCXMNPKMYTVEK-UKRRQHHQSA-N 1 1 344.419 0.390 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC(C)(C)C1 ZINC001089555378 771471392 /nfs/dbraw/zinc/47/13/92/771471392.db2.gz JUYCZHNAXXWSLV-ZDUSSCGKSA-N 1 1 334.420 0.120 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001056692121 771522053 /nfs/dbraw/zinc/52/20/53/771522053.db2.gz LZFKYTITJIJYSW-IXDOHACOSA-N 1 1 349.475 0.816 20 30 ECEDMO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2cnnn2C)C1 ZINC001031642817 771572054 /nfs/dbraw/zinc/57/20/54/771572054.db2.gz CENXYSQZSHNHIL-UHFFFAOYSA-N 1 1 340.387 0.557 20 30 ECEDMO CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001056942270 771840501 /nfs/dbraw/zinc/84/05/01/771840501.db2.gz ULDPOCOBGWVKRD-UKRRQHHQSA-N 1 1 328.420 0.727 20 30 ECEDMO CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001056942269 771840576 /nfs/dbraw/zinc/84/05/76/771840576.db2.gz ULDPOCOBGWVKRD-HIFRSBDPSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3ccnc(C#N)n3)C2)C1 ZINC001057030259 771967950 /nfs/dbraw/zinc/96/79/50/771967950.db2.gz YZMGRHXJCBXZOQ-UONOGXRCSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@H]21 ZINC001042241708 782974138 /nfs/dbraw/zinc/97/41/38/782974138.db2.gz CHEKVGMMGWFLKL-GDBMZVCRSA-N 1 1 342.443 0.911 20 30 ECEDMO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001057066490 772028363 /nfs/dbraw/zinc/02/83/63/772028363.db2.gz RAFSPADJGFIMLA-LSDHHAIUSA-N 1 1 328.420 0.870 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001020058425 772114978 /nfs/dbraw/zinc/11/49/78/772114978.db2.gz HHMXGPNUTQELNS-HAQNSBGRSA-N 1 1 328.380 0.333 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057146804 772165305 /nfs/dbraw/zinc/16/53/05/772165305.db2.gz PDCBGSWLVXPDOH-CQSZACIVSA-N 1 1 344.419 0.108 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057146804 772165308 /nfs/dbraw/zinc/16/53/08/772165308.db2.gz PDCBGSWLVXPDOH-CQSZACIVSA-N 1 1 344.419 0.108 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001020168039 772237720 /nfs/dbraw/zinc/23/77/20/772237720.db2.gz RUAGOJMGMJFHKR-TUVASFSCSA-N 1 1 348.451 0.972 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001057234822 772319071 /nfs/dbraw/zinc/31/90/71/772319071.db2.gz QXSROOMCWNABFR-AWEZNQCLSA-N 1 1 328.420 0.729 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ncccn2)C1 ZINC001020250852 772351439 /nfs/dbraw/zinc/35/14/39/772351439.db2.gz URMRYAKHYHHCFV-VGWMRTNUSA-N 1 1 327.432 0.872 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001042266348 783008139 /nfs/dbraw/zinc/00/81/39/783008139.db2.gz MQPVAPRNGZUBIX-ZFWWWQNUSA-N 1 1 333.432 0.928 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@H]21 ZINC001042267052 783008636 /nfs/dbraw/zinc/00/86/36/783008636.db2.gz UITNUYZZIHHLAN-GDBMZVCRSA-N 1 1 336.399 0.832 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3nccnc3C#N)CC2)C1 ZINC001057303247 772432444 /nfs/dbraw/zinc/43/24/44/772432444.db2.gz KISMDKZDAYXJKX-CQSZACIVSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3nccnc3C#N)CC2)C1 ZINC001057303247 772432449 /nfs/dbraw/zinc/43/24/49/772432449.db2.gz KISMDKZDAYXJKX-CQSZACIVSA-N 1 1 330.392 0.082 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)nn1 ZINC001078474557 783021232 /nfs/dbraw/zinc/02/12/32/783021232.db2.gz JTHSPVBBPQRRQZ-KBPBESRZSA-N 1 1 348.451 0.431 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057442812 772618934 /nfs/dbraw/zinc/61/89/34/772618934.db2.gz QUXLXVAPBVUIKE-IRXDYDNUSA-N 1 1 349.475 0.601 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)CC[N@H+]1C ZINC001057537962 772733321 /nfs/dbraw/zinc/73/33/21/772733321.db2.gz QYSXPNFWXNJFPN-JKSUJKDBSA-N 1 1 335.448 0.067 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001057538261 772733839 /nfs/dbraw/zinc/73/38/39/772733839.db2.gz ZELXMXHMOJJTPY-IRXDYDNUSA-N 1 1 347.459 0.354 20 30 ECEDMO CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001057539166 772734891 /nfs/dbraw/zinc/73/48/91/772734891.db2.gz QDAISPGFVAVNCZ-IBGZPJMESA-N 1 1 349.475 0.459 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540212 772735209 /nfs/dbraw/zinc/73/52/09/772735209.db2.gz LBPCYRUSMBTWCS-HUUCEWRRSA-N 1 1 337.464 0.171 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001057599015 772795163 /nfs/dbraw/zinc/79/51/63/772795163.db2.gz NXIXDNTZFALVIR-HNNXBMFYSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057601413 772799022 /nfs/dbraw/zinc/79/90/22/772799022.db2.gz MTSVZMQASDYIAS-HUUCEWRRSA-N 1 1 339.480 0.866 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057643610 772855408 /nfs/dbraw/zinc/85/54/08/772855408.db2.gz DVCCYZZYPROMRL-HNNXBMFYSA-N 1 1 336.436 0.731 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001057652387 772868219 /nfs/dbraw/zinc/86/82/19/772868219.db2.gz CONFGAFNEANSKN-CYBMUJFWSA-N 1 1 325.376 0.956 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057654306 772870269 /nfs/dbraw/zinc/87/02/69/772870269.db2.gz CZTGEUVJHPUMNE-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057654306 772870272 /nfs/dbraw/zinc/87/02/72/772870272.db2.gz CZTGEUVJHPUMNE-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057717886 772940745 /nfs/dbraw/zinc/94/07/45/772940745.db2.gz BVKGZNUMBNKHJA-IRXDYDNUSA-N 1 1 349.475 0.600 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](Nc2nccnc2C#N)C1 ZINC001057719503 772943144 /nfs/dbraw/zinc/94/31/44/772943144.db2.gz NALHPLXAPDVALQ-CYBMUJFWSA-N 1 1 325.376 0.956 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057738859 772955840 /nfs/dbraw/zinc/95/58/40/772955840.db2.gz GTIARTPKXGQKFC-HUUCEWRRSA-N 1 1 339.480 0.866 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001057791436 772987602 /nfs/dbraw/zinc/98/76/02/772987602.db2.gz POHWACKJCPYHIT-OAHLLOKOSA-N 1 1 342.447 0.941 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(c2nccnc2C#N)CC1 ZINC001057811958 773015111 /nfs/dbraw/zinc/01/51/11/773015111.db2.gz MXMLTPFXDFEJCV-UKRRQHHQSA-N 1 1 342.447 0.879 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001057821798 773031846 /nfs/dbraw/zinc/03/18/46/773031846.db2.gz UAPYUTZFMPGUMT-MRXNPFEDSA-N 1 1 349.475 0.459 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@H](C)C1CC1 ZINC001057870387 773102658 /nfs/dbraw/zinc/10/26/58/773102658.db2.gz RQLAWTZBVOCQEP-RDJZCZTQSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@H](C)C1CC1 ZINC001057870387 773102662 /nfs/dbraw/zinc/10/26/62/773102662.db2.gz RQLAWTZBVOCQEP-RDJZCZTQSA-N 1 1 349.475 0.457 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001057942803 773237379 /nfs/dbraw/zinc/23/73/79/773237379.db2.gz VSHHUZWRIIYYSK-UHFFFAOYSA-N 1 1 349.435 0.167 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057945783 773245607 /nfs/dbraw/zinc/24/56/07/773245607.db2.gz HCQPEJCVXLSUAP-WFASDCNBSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057945901 773245900 /nfs/dbraw/zinc/24/59/00/773245900.db2.gz LUFFNYLVMZGMQQ-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001057946298 773246988 /nfs/dbraw/zinc/24/69/88/773246988.db2.gz YJKJWBASGGANDT-CYBMUJFWSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1coc(C)c1 ZINC001057960924 773289632 /nfs/dbraw/zinc/28/96/32/773289632.db2.gz BAWSGWSGBNUYOW-INIZCTEOSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1coc(C)c1 ZINC001057960924 773289639 /nfs/dbraw/zinc/28/96/39/773289639.db2.gz BAWSGWSGBNUYOW-INIZCTEOSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@](C)(C=C)CC ZINC001057962008 773293595 /nfs/dbraw/zinc/29/35/95/773293595.db2.gz CLIGOJZAIFTRJL-LPHOPBHVSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@](C)(C=C)CC ZINC001057962008 773293597 /nfs/dbraw/zinc/29/35/97/773293597.db2.gz CLIGOJZAIFTRJL-LPHOPBHVSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@]12C[C@H]1CCC2 ZINC001057962160 773293663 /nfs/dbraw/zinc/29/36/63/773293663.db2.gz KROHTVCJMURIPN-JTDSTZFVSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@]12C[C@H]1CCC2 ZINC001057962160 773293665 /nfs/dbraw/zinc/29/36/65/773293665.db2.gz KROHTVCJMURIPN-JTDSTZFVSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(C)(C)C(=C)C ZINC001057962496 773295061 /nfs/dbraw/zinc/29/50/61/773295061.db2.gz YNRFCGDRPPEZQR-INIZCTEOSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(C)(C)C(=C)C ZINC001057962496 773295064 /nfs/dbraw/zinc/29/50/64/773295064.db2.gz YNRFCGDRPPEZQR-INIZCTEOSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2nccc(OC)n2)CC1 ZINC001057970166 773308754 /nfs/dbraw/zinc/30/87/54/773308754.db2.gz AWJGVEBDUDINDZ-HNNXBMFYSA-N 1 1 343.431 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2nccc(OC)n2)CC1 ZINC001057970166 773308761 /nfs/dbraw/zinc/30/87/61/773308761.db2.gz AWJGVEBDUDINDZ-HNNXBMFYSA-N 1 1 343.431 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2cc(F)ncn2)CC1 ZINC001057970198 773309967 /nfs/dbraw/zinc/30/99/67/773309967.db2.gz CSPDOVUBIPDDOC-AWEZNQCLSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2cc(F)ncn2)CC1 ZINC001057970198 773309971 /nfs/dbraw/zinc/30/99/71/773309971.db2.gz CSPDOVUBIPDDOC-AWEZNQCLSA-N 1 1 331.395 0.798 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058043435 773416903 /nfs/dbraw/zinc/41/69/03/773416903.db2.gz ONJZUVKWTLZPNY-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058043435 773416906 /nfs/dbraw/zinc/41/69/06/773416906.db2.gz ONJZUVKWTLZPNY-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040614022 783103199 /nfs/dbraw/zinc/10/31/99/783103199.db2.gz UKQYIRCCFQGIFD-GOSISDBHSA-N 1 1 346.431 0.465 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058113064 773559437 /nfs/dbraw/zinc/55/94/37/773559437.db2.gz UYKRUDUYURKDKE-HIFRSBDPSA-N 1 1 336.436 0.587 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058158009 773659389 /nfs/dbraw/zinc/65/93/89/773659389.db2.gz NACSALDTBLWYDS-HNNXBMFYSA-N 1 1 325.453 0.622 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058167526 773683650 /nfs/dbraw/zinc/68/36/50/773683650.db2.gz FMKVIXHXWOELOH-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058167526 773683652 /nfs/dbraw/zinc/68/36/52/773683652.db2.gz FMKVIXHXWOELOH-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO C#Cc1ccc(C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC)cc1 ZINC001058257214 773857551 /nfs/dbraw/zinc/85/75/51/773857551.db2.gz PWROQUWOQAYXFM-UHFFFAOYSA-N 1 1 345.443 0.560 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(F)ncn2)C1 ZINC001058263939 773875310 /nfs/dbraw/zinc/87/53/10/773875310.db2.gz FPZVLHQEXCCZJB-KBPBESRZSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(F)ncn2)C1 ZINC001058263939 773875313 /nfs/dbraw/zinc/87/53/13/773875313.db2.gz FPZVLHQEXCCZJB-KBPBESRZSA-N 1 1 331.395 0.798 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058288234 773924181 /nfs/dbraw/zinc/92/41/81/773924181.db2.gz WDRINKWFEJNNFY-GJZGRUSLSA-N 1 1 339.480 0.724 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040630536 783136520 /nfs/dbraw/zinc/13/65/20/783136520.db2.gz VAWFJYMBXYIMQC-YJBOKZPZSA-N 1 1 348.447 0.873 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 ZINC001058372198 774052477 /nfs/dbraw/zinc/05/24/77/774052477.db2.gz UDJWHESYKRPDCE-CYBMUJFWSA-N 1 1 325.376 0.557 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ncc(C#N)cc2F)C1 ZINC001058372182 774053062 /nfs/dbraw/zinc/05/30/62/774053062.db2.gz TUSVVZUKUNWEPA-CYBMUJFWSA-N 1 1 328.351 0.992 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058381975 774069560 /nfs/dbraw/zinc/06/95/60/774069560.db2.gz ZSFKYYYJBFQJQV-ZIAGYGMSSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001040636385 783148750 /nfs/dbraw/zinc/14/87/50/783148750.db2.gz INFYEQZQLILETK-HRCADAONSA-N 1 1 325.416 0.942 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)CC[N@@H+](C)CC ZINC001058468157 774243136 /nfs/dbraw/zinc/24/31/36/774243136.db2.gz BPZPTCOTLHMFKF-HNNXBMFYSA-N 1 1 327.469 0.868 20 30 ECEDMO N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001058469854 774246039 /nfs/dbraw/zinc/24/60/39/774246039.db2.gz SFVJLBPWCKZYKI-TZMCWYRMSA-N 1 1 337.387 0.817 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001058525374 774362325 /nfs/dbraw/zinc/36/23/25/774362325.db2.gz OGSMCMMSAAGFAJ-IHRRRGAJSA-N 1 1 328.420 0.773 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3F)C2)O1 ZINC001058588332 774487356 /nfs/dbraw/zinc/48/73/56/774487356.db2.gz XKJIXFNGHSCDIR-OSAQELSMSA-N 1 1 347.394 0.506 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3F)C2)O1 ZINC001058588332 774487361 /nfs/dbraw/zinc/48/73/61/774487361.db2.gz XKJIXFNGHSCDIR-OSAQELSMSA-N 1 1 347.394 0.506 20 30 ECEDMO C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001040652854 783187351 /nfs/dbraw/zinc/18/73/51/783187351.db2.gz JFHZFRMTSVEKPL-RLFYNMQTSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C1CCOCC1 ZINC001044962343 774772631 /nfs/dbraw/zinc/77/26/31/774772631.db2.gz INYOODLIDZXAKI-OCCSQVGLSA-N 1 1 347.423 0.265 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001044978971 774792587 /nfs/dbraw/zinc/79/25/87/774792587.db2.gz BNMMMKJIUIDRRU-UONOGXRCSA-N 1 1 325.453 0.476 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001039868148 783206568 /nfs/dbraw/zinc/20/65/68/783206568.db2.gz XTIGGMRVUGXYBO-FRQCXROJSA-N 1 1 349.475 0.600 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2CCF)c1 ZINC001044980778 774795930 /nfs/dbraw/zinc/79/59/30/774795930.db2.gz BIOPMMFADABUJB-ZDUSSCGKSA-N 1 1 345.382 0.842 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1O ZINC001043876014 775178292 /nfs/dbraw/zinc/17/82/92/775178292.db2.gz RTQOGZSZLPYLDA-RDBSUJKOSA-N 1 1 349.822 0.367 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2CC)nn1 ZINC001045233073 775191462 /nfs/dbraw/zinc/19/14/62/775191462.db2.gz XMSOTCRUBXNFGA-ZDUSSCGKSA-N 1 1 344.423 0.470 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044007702 775499314 /nfs/dbraw/zinc/49/93/14/775499314.db2.gz ULICCBQOQBWHQG-CABCVRRESA-N 1 1 337.464 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)CC)O2 ZINC001068482174 790366143 /nfs/dbraw/zinc/36/61/43/790366143.db2.gz LOFPGEGJSGSXKS-CABCVRRESA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)CC)O2 ZINC001068482174 790366155 /nfs/dbraw/zinc/36/61/55/790366155.db2.gz LOFPGEGJSGSXKS-CABCVRRESA-N 1 1 333.432 0.370 20 30 ECEDMO Cc1nsc(N2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1C#N ZINC001044062524 775619863 /nfs/dbraw/zinc/61/98/63/775619863.db2.gz GKSQJLONNNITJX-YUTCNCBUSA-N 1 1 349.460 0.331 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028912 790382171 /nfs/dbraw/zinc/38/21/71/790382171.db2.gz KYLJXAVGYQLGTO-XHSDSOJGSA-N 1 1 332.452 0.538 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028912 790382180 /nfs/dbraw/zinc/38/21/80/790382180.db2.gz KYLJXAVGYQLGTO-XHSDSOJGSA-N 1 1 332.452 0.538 20 30 ECEDMO C=CCn1cc(C(=O)NC2(C)CC[NH+](Cc3ccnn3C)CC2)nn1 ZINC001045580526 775829212 /nfs/dbraw/zinc/82/92/12/775829212.db2.gz DKYZBVOHMVAPOK-UHFFFAOYSA-N 1 1 343.435 0.982 20 30 ECEDMO Cc1cc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C#N)cn1 ZINC001068494342 790403811 /nfs/dbraw/zinc/40/38/11/790403811.db2.gz QFNNAUVVLAWYPJ-IIAWOOMASA-N 1 1 327.432 0.942 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001068497182 790409975 /nfs/dbraw/zinc/40/99/75/790409975.db2.gz NLDUWBQCYDFXOX-BZUAXINKSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001068497182 790409978 /nfs/dbraw/zinc/40/99/78/790409978.db2.gz NLDUWBQCYDFXOX-BZUAXINKSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001068497657 790410887 /nfs/dbraw/zinc/41/08/87/790410887.db2.gz ZTZQXCRMQGKFMD-QEJZJMRPSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001068497657 790410895 /nfs/dbraw/zinc/41/08/95/790410895.db2.gz ZTZQXCRMQGKFMD-QEJZJMRPSA-N 1 1 344.419 0.376 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001044293915 776077052 /nfs/dbraw/zinc/07/70/52/776077052.db2.gz CPWMNNUEZUEFFH-GJZGRUSLSA-N 1 1 339.480 0.866 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044302006 776099099 /nfs/dbraw/zinc/09/90/99/776099099.db2.gz DNPOBPUOPMEPOR-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CN(CC[C@@H]3CCOC3)C2)CC1 ZINC001044335804 776178630 /nfs/dbraw/zinc/17/86/30/776178630.db2.gz PGFAEYUYDPDWFJ-MRXNPFEDSA-N 1 1 333.476 0.901 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001068506719 790435540 /nfs/dbraw/zinc/43/55/40/790435540.db2.gz UUFHNJQPJCXRQT-UMVBOHGHSA-N 1 1 328.420 0.997 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001068506410 790435392 /nfs/dbraw/zinc/43/53/92/790435392.db2.gz MNCJJPNPBAQZIW-IHRRRGAJSA-N 1 1 328.420 0.997 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC(N(CC)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001079638044 776580734 /nfs/dbraw/zinc/58/07/34/776580734.db2.gz VYEUNICAKHHXOV-UHFFFAOYSA-N 1 1 331.420 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnn(C)n3)C[C@@H]2C)cc1 ZINC001044709863 776676639 /nfs/dbraw/zinc/67/66/39/776676639.db2.gz ZJVJBBWMSPHXRC-BBRMVZONSA-N 1 1 338.415 0.974 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@H+](C)CCC)C1 ZINC001079687462 776687503 /nfs/dbraw/zinc/68/75/03/776687503.db2.gz UTZSGNHRNBXNFD-QGZVFWFLSA-N 1 1 325.453 0.715 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001079695462 776709034 /nfs/dbraw/zinc/70/90/34/776709034.db2.gz YOHJEELJXZYJDM-VNHYZAJKSA-N 1 1 331.420 0.775 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001079697960 776714559 /nfs/dbraw/zinc/71/45/59/776714559.db2.gz CMMACDZUBNLQLG-ZYHUDNBSSA-N 1 1 341.839 0.961 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001079697960 776714564 /nfs/dbraw/zinc/71/45/64/776714564.db2.gz CMMACDZUBNLQLG-ZYHUDNBSSA-N 1 1 341.839 0.961 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001079774331 776844899 /nfs/dbraw/zinc/84/48/99/776844899.db2.gz AYLDBTBOUHZMKW-CVEARBPZSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001079776553 776851277 /nfs/dbraw/zinc/85/12/77/776851277.db2.gz JHJDLBYSHMHQPU-CABCVRRESA-N 1 1 335.448 0.426 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070064327 790487617 /nfs/dbraw/zinc/48/76/17/790487617.db2.gz LQZNFFXYCSJHGV-CVEARBPZSA-N 1 1 341.419 0.916 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001079833202 776954318 /nfs/dbraw/zinc/95/43/18/776954318.db2.gz AGOFFVWRPJBIHR-DGCLKSJQSA-N 1 1 327.388 0.747 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001079855586 776985543 /nfs/dbraw/zinc/98/55/43/776985543.db2.gz HKFMEUXGAPDSQS-HUUCEWRRSA-N 1 1 345.447 0.749 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001079899593 777044380 /nfs/dbraw/zinc/04/43/80/777044380.db2.gz GGGWLKYUWOLJDJ-WBVHZDCISA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001079900141 777045059 /nfs/dbraw/zinc/04/50/59/777045059.db2.gz VKFFYWHOHCUDPI-HOCLYGCPSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCCC(=O)N1CC(N(CC)C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001079944343 777121746 /nfs/dbraw/zinc/12/17/46/777121746.db2.gz YSOIJBSNMPIZAP-MRXNPFEDSA-N 1 1 347.463 0.839 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001079981887 777188965 /nfs/dbraw/zinc/18/89/65/777188965.db2.gz GEGSXFNPCGUFKE-ZYHUDNBSSA-N 1 1 327.406 0.553 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001068540010 790519351 /nfs/dbraw/zinc/51/93/51/790519351.db2.gz WRKIYGIZWQNWSR-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)cn1 ZINC001070080659 790535885 /nfs/dbraw/zinc/53/58/85/790535885.db2.gz RBGBNDYZNHNWFP-SJORKVTESA-N 1 1 336.399 0.720 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080140561 777450702 /nfs/dbraw/zinc/45/07/02/777450702.db2.gz VYNYLKWOMURTAZ-KSSFIOAISA-N 1 1 337.464 0.715 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080141305 777452073 /nfs/dbraw/zinc/45/20/73/777452073.db2.gz CZUSCLSZHFJDII-UAGQMJEPSA-N 1 1 349.475 0.979 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001080249781 777610115 /nfs/dbraw/zinc/61/01/15/777610115.db2.gz AETCXZLWCKGQFS-HUUCEWRRSA-N 1 1 330.436 0.792 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2F)[C@@H](n2ccnn2)C1 ZINC001070085886 790554850 /nfs/dbraw/zinc/55/48/50/790554850.db2.gz XWRMRYLPRIDPEE-OLZOCXBDSA-N 1 1 347.398 0.691 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2F)[C@@H](n2ccnn2)C1 ZINC001070085886 790554859 /nfs/dbraw/zinc/55/48/59/790554859.db2.gz XWRMRYLPRIDPEE-OLZOCXBDSA-N 1 1 347.398 0.691 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043120559 777767383 /nfs/dbraw/zinc/76/73/83/777767383.db2.gz PRSQAHAOBLIWRF-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080416975 777820428 /nfs/dbraw/zinc/82/04/28/777820428.db2.gz SUXDHHIBYONAGW-TZMCWYRMSA-N 1 1 343.431 0.973 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001080417149 777822392 /nfs/dbraw/zinc/82/23/92/777822392.db2.gz XDCGITNBIVDYBC-GXTWGEPZSA-N 1 1 329.404 0.979 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001070091134 790571470 /nfs/dbraw/zinc/57/14/70/790571470.db2.gz WZXSKCXXZFZBPC-HNNXBMFYSA-N 1 1 335.448 0.666 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001070093141 790577575 /nfs/dbraw/zinc/57/75/75/790577575.db2.gz IFKGPAVVDUPJKZ-UHFFFAOYSA-N 1 1 346.431 0.777 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnnc3)C2)C1=O ZINC001080501904 777941999 /nfs/dbraw/zinc/94/19/99/777941999.db2.gz DZIUUISXTNCSGB-BPLDGKMQSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnnc3)C2)C1=O ZINC001080501904 777942003 /nfs/dbraw/zinc/94/20/03/777942003.db2.gz DZIUUISXTNCSGB-BPLDGKMQSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001080533490 777973530 /nfs/dbraw/zinc/97/35/30/777973530.db2.gz HOAKNGOJPSWICF-CQSZACIVSA-N 1 1 325.453 0.979 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001080557825 778026870 /nfs/dbraw/zinc/02/68/70/778026870.db2.gz FREOPBLDUSMNIR-GOEBONIOSA-N 1 1 335.448 0.283 20 30 ECEDMO CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001080560241 778041761 /nfs/dbraw/zinc/04/17/61/778041761.db2.gz ZJCOXSXUEFWYFB-ZDUSSCGKSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001043314987 778146375 /nfs/dbraw/zinc/14/63/75/778146375.db2.gz KURLPOWCOUWMHY-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[C@@H](CNC(=O)C#CC2CC2)O3)C1 ZINC001068571241 790601274 /nfs/dbraw/zinc/60/12/74/790601274.db2.gz KEOKWIAHWZWZLH-HOTGVXAUSA-N 1 1 345.443 0.228 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001043413989 778289061 /nfs/dbraw/zinc/28/90/61/778289061.db2.gz HXSOWGUFZKWFQV-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)[C@@H](n2ccnn2)C1 ZINC001070104002 790619105 /nfs/dbraw/zinc/61/91/05/790619105.db2.gz YOOMPWMOLDUSIP-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043512459 778441265 /nfs/dbraw/zinc/44/12/65/778441265.db2.gz PRJJSSUHRAEWNA-MGPQQGTHSA-N 1 1 328.420 0.513 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043514412 778444350 /nfs/dbraw/zinc/44/43/50/778444350.db2.gz SBJIBJIORVVVJF-ZIAGYGMSSA-N 1 1 342.447 0.761 20 30 ECEDMO C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043579305 778542852 /nfs/dbraw/zinc/54/28/52/778542852.db2.gz KBOBKOAZEZOTQK-DGCLKSJQSA-N 1 1 325.376 0.385 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC001070108737 790631439 /nfs/dbraw/zinc/63/14/39/790631439.db2.gz NHVMHVIVVPLIMP-INIZCTEOSA-N 1 1 349.475 0.769 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043615457 778597417 /nfs/dbraw/zinc/59/74/17/778597417.db2.gz QWTMLHFCWWJUGV-UONOGXRCSA-N 1 1 339.480 0.864 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NCC2(NC(=O)C#CC3CC3)CCOCC2)C1 ZINC001070112054 790643395 /nfs/dbraw/zinc/64/33/95/790643395.db2.gz KWGCUDPGCGXLMT-INIZCTEOSA-N 1 1 347.459 0.523 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001068590765 790651873 /nfs/dbraw/zinc/65/18/73/790651873.db2.gz ABNJMFYCALMPAJ-MGPQQGTHSA-N 1 1 328.420 0.997 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNc3nccnc3C#N)C2)C1 ZINC001068591965 790657631 /nfs/dbraw/zinc/65/76/31/790657631.db2.gz VBAFXXLAFKAVMF-MGPQQGTHSA-N 1 1 328.420 0.997 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 ZINC001068598865 790679090 /nfs/dbraw/zinc/67/90/90/790679090.db2.gz YOMNHWMMLIYQPC-UONOGXRCSA-N 1 1 336.436 0.364 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC001042272059 779954225 /nfs/dbraw/zinc/95/42/25/779954225.db2.gz KSDLDZWJPSYGAH-NWDGAFQWSA-N 1 1 340.811 0.214 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC001042272059 779954228 /nfs/dbraw/zinc/95/42/28/779954228.db2.gz KSDLDZWJPSYGAH-NWDGAFQWSA-N 1 1 340.811 0.214 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]21 ZINC001042286469 779991943 /nfs/dbraw/zinc/99/19/43/779991943.db2.gz AKJZOOJNVRTNAY-HZPDHXFCSA-N 1 1 328.416 0.416 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccnc4nc(C)nn43)C[C@@H]21 ZINC001042312427 780052358 /nfs/dbraw/zinc/05/23/58/780052358.db2.gz NSGINBLSNYJOJO-ZBFHGGJFSA-N 1 1 338.415 0.992 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C(=O)NC)n3)C[C@H]21 ZINC001042325415 780074937 /nfs/dbraw/zinc/07/49/37/780074937.db2.gz FNJNBVCRFARFHI-XJKSGUPXSA-N 1 1 326.400 0.611 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC001042333839 780089301 /nfs/dbraw/zinc/08/93/01/780089301.db2.gz QIXHGSWBBTYPJI-KBPBESRZSA-N 1 1 348.447 0.816 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3-n3cnnn3)C[C@@H]21 ZINC001042348601 780115636 /nfs/dbraw/zinc/11/56/36/780115636.db2.gz LPYHRLZTSKGPRW-PBHICJAKSA-N 1 1 336.399 0.832 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001042348952 780116061 /nfs/dbraw/zinc/11/60/61/780116061.db2.gz MUZQMURLADHZIA-OLZOCXBDSA-N 1 1 329.404 0.688 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(=O)n(CCC)n3)C[C@@H]21 ZINC001042351945 780121787 /nfs/dbraw/zinc/12/17/87/780121787.db2.gz VLCMISOWNQKLJB-HOCLYGCPSA-N 1 1 328.416 0.823 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)C[C@@H]21 ZINC001042366072 780153013 /nfs/dbraw/zinc/15/30/13/780153013.db2.gz RZSBFCSHTMJRRF-YOEHRIQHSA-N 1 1 341.411 0.720 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070160941 790790169 /nfs/dbraw/zinc/79/01/69/790790169.db2.gz NGZMSOOKTHNVKI-UHTWSYAYSA-N 1 1 331.405 0.436 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2ccccc2C#N)C1 ZINC001042573434 780466553 /nfs/dbraw/zinc/46/65/53/780466553.db2.gz JZDSIDUSEVAMIE-KRWDZBQOSA-N 1 1 328.416 0.531 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2ccccc2C#N)C1 ZINC001042573434 780466554 /nfs/dbraw/zinc/46/65/54/780466554.db2.gz JZDSIDUSEVAMIE-KRWDZBQOSA-N 1 1 328.416 0.531 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001042664411 780608105 /nfs/dbraw/zinc/60/81/05/780608105.db2.gz VMFHKSSCMIKGJN-JKSUJKDBSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042664449 780608211 /nfs/dbraw/zinc/60/82/11/780608211.db2.gz WGQOBXYCIDKDCA-INIZCTEOSA-N 1 1 349.475 0.742 20 30 ECEDMO CN(C(=O)C#CC1CC1)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001078949928 780644531 /nfs/dbraw/zinc/64/45/31/780644531.db2.gz AIYHBGSEKUAZLA-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C(=O)C#CC1CC1)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001078949928 780644534 /nfs/dbraw/zinc/64/45/34/780644534.db2.gz AIYHBGSEKUAZLA-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001042835728 780914427 /nfs/dbraw/zinc/91/44/27/780914427.db2.gz KOMSXWLYRDOFQN-YSVLISHTSA-N 1 1 343.431 0.533 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001042940899 781072547 /nfs/dbraw/zinc/07/25/47/781072547.db2.gz GSARKJPJBAXXMY-GASCZTMLSA-N 1 1 335.448 0.208 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001043022343 781201156 /nfs/dbraw/zinc/20/11/56/781201156.db2.gz DDWPXYWWUQOJTP-HNNXBMFYSA-N 1 1 337.464 0.905 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001079530702 781229605 /nfs/dbraw/zinc/22/96/05/781229605.db2.gz OZGVLRDSTPOQSO-BPLDGKMQSA-N 1 1 344.415 0.624 20 30 ECEDMO CCN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079565221 781269038 /nfs/dbraw/zinc/26/90/38/781269038.db2.gz ICFKAXBNWVYUNO-UHFFFAOYSA-N 1 1 331.420 0.899 20 30 ECEDMO CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001079601172 781307297 /nfs/dbraw/zinc/30/72/97/781307297.db2.gz MCZWKZQJAJCILZ-WQVCFCJDSA-N 1 1 343.431 0.946 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001079601172 781307301 /nfs/dbraw/zinc/30/73/01/781307301.db2.gz MCZWKZQJAJCILZ-WQVCFCJDSA-N 1 1 343.431 0.946 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001077650084 781425112 /nfs/dbraw/zinc/42/51/12/781425112.db2.gz SBLVHBBTAVGKOS-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001077659901 781445831 /nfs/dbraw/zinc/44/58/31/781445831.db2.gz IEHMXSRUFVYEJS-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1 ZINC001077672983 781472921 /nfs/dbraw/zinc/47/29/21/781472921.db2.gz NSRAIGKRRYXTFV-CHWSQXEVSA-N 1 1 326.828 0.744 20 30 ECEDMO C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680336 781498057 /nfs/dbraw/zinc/49/80/57/781498057.db2.gz BAQUVKYQNOXSLY-CKEIUWERSA-N 1 1 327.444 0.936 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3sccc3-n3cnnn3)C2)C1 ZINC001041436500 781510725 /nfs/dbraw/zinc/51/07/25/781510725.db2.gz GPEYWDMBPOMTSQ-INIZCTEOSA-N 1 1 342.428 0.895 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451318 781544723 /nfs/dbraw/zinc/54/47/23/781544723.db2.gz KCHHAVAWZYLFES-GOEBONIOSA-N 1 1 326.462 0.922 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](CNc2nccnc2C#N)C1 ZINC001041482535 781605236 /nfs/dbraw/zinc/60/52/36/781605236.db2.gz NWGWEXHPCKEJSW-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001077787066 781693390 /nfs/dbraw/zinc/69/33/90/781693390.db2.gz HLNBMVFSAAGBLR-HZPDHXFCSA-N 1 1 331.416 0.303 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001077787066 781693393 /nfs/dbraw/zinc/69/33/93/781693393.db2.gz HLNBMVFSAAGBLR-HZPDHXFCSA-N 1 1 331.416 0.303 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@H]2O)cc1 ZINC001077797825 781711918 /nfs/dbraw/zinc/71/19/18/781711918.db2.gz JYBHKEKYEQMQRX-IAOVAPTHSA-N 1 1 332.400 0.508 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001077906942 781915916 /nfs/dbraw/zinc/91/59/16/781915916.db2.gz RUSZONOUZISBDC-HUUCEWRRSA-N 1 1 347.806 0.795 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCCO1 ZINC001039908149 783257808 /nfs/dbraw/zinc/25/78/08/783257808.db2.gz RPOZRHPWYBLNOV-UONOGXRCSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(c3ccc(C#N)cn3)CCCO2)C1 ZINC001039915172 783274767 /nfs/dbraw/zinc/27/47/67/783274767.db2.gz LORQQDQKSQXCPT-CVEARBPZSA-N 1 1 343.431 0.616 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001039986490 783358294 /nfs/dbraw/zinc/35/82/94/783358294.db2.gz CGWNXZSEROYCIN-KRWDZBQOSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C[C@H](C)O)CC1 ZINC001040014063 783407987 /nfs/dbraw/zinc/40/79/87/783407987.db2.gz DECBDWABTANNJK-RYQLBKOJSA-N 1 1 333.476 0.778 20 30 ECEDMO C#CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)C[N@H+](C)CCC)C2)CCC1 ZINC001040060808 783466079 /nfs/dbraw/zinc/46/60/79/783466079.db2.gz ZPGJDEPZDLILMO-IBGZPJMESA-N 1 1 349.475 0.601 20 30 ECEDMO C=C1CCC(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040807137 783476483 /nfs/dbraw/zinc/47/64/83/783476483.db2.gz OJERNOJWYJXTRN-QFBILLFUSA-N 1 1 349.475 0.764 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040807135 783477072 /nfs/dbraw/zinc/47/70/72/783477072.db2.gz OJERNOJWYJXTRN-APWZRJJASA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001040095664 783530229 /nfs/dbraw/zinc/53/02/29/783530229.db2.gz IVXHLNZXXGAVMT-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)C#CC(C)C)C1 ZINC001040097082 783532768 /nfs/dbraw/zinc/53/27/68/783532768.db2.gz VMJAZTGGPNGCAU-QFBILLFUSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001040104067 783554132 /nfs/dbraw/zinc/55/41/32/783554132.db2.gz JLZYXCQSKRSNHN-QGZVFWFLSA-N 1 1 325.453 0.618 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001040850647 783559462 /nfs/dbraw/zinc/55/94/62/783559462.db2.gz ORIHVSKLRJPWLV-SFHVURJKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@@H]1n1ccnn1 ZINC001070200235 783644806 /nfs/dbraw/zinc/64/48/06/783644806.db2.gz DWJHWJCIARLLGY-KGLIPLIRSA-N 1 1 338.375 0.391 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001070215399 783674047 /nfs/dbraw/zinc/67/40/47/783674047.db2.gz VSOGCZYGATWWLS-NEPJUHHUSA-N 1 1 349.782 0.182 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070224264 783693178 /nfs/dbraw/zinc/69/31/78/783693178.db2.gz WQXUNFCQDVGFNE-OAGGEKHMSA-N 1 1 345.451 0.264 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(NC(=O)C[N@H+]2CCC[C@@H]2C)CCOCC1 ZINC001070252586 783746828 /nfs/dbraw/zinc/74/68/28/783746828.db2.gz KYIYPQCJTLAOOO-KGLIPLIRSA-N 1 1 336.436 0.412 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccccc2C#N)C1 ZINC001038136208 783903775 /nfs/dbraw/zinc/90/37/75/783903775.db2.gz LCYMGNWYWYCNOU-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccccc2C#N)C1 ZINC001038136208 783903780 /nfs/dbraw/zinc/90/37/80/783903780.db2.gz LCYMGNWYWYCNOU-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCO2)C1 ZINC001070397753 783961951 /nfs/dbraw/zinc/96/19/51/783961951.db2.gz IWFGWVCGKCWOON-HIFRSBDPSA-N 1 1 332.404 0.254 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COCCO2)C1 ZINC001070397755 783962185 /nfs/dbraw/zinc/96/21/85/783962185.db2.gz IWFGWVCGKCWOON-UKRRQHHQSA-N 1 1 332.404 0.254 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccnn2C)C1 ZINC001070401331 783971290 /nfs/dbraw/zinc/97/12/90/783971290.db2.gz MCGKIZREJQKPDR-ZDUSSCGKSA-N 1 1 326.404 0.886 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001070406237 783986099 /nfs/dbraw/zinc/98/60/99/783986099.db2.gz PIVNFAABXCJSOI-LBPRGKRZSA-N 1 1 343.387 0.444 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)nn2)C1 ZINC001070408658 783994660 /nfs/dbraw/zinc/99/46/60/783994660.db2.gz YEYGTPVUMZKHRN-LBPRGKRZSA-N 1 1 329.408 0.834 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001070409970 783997999 /nfs/dbraw/zinc/99/79/99/783997999.db2.gz QOBCVBPHDLTRTE-ZIAGYGMSSA-N 1 1 343.431 0.317 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001070420107 784027998 /nfs/dbraw/zinc/02/79/98/784027998.db2.gz PZWGLPBVWQMIES-JSGCOSHPSA-N 1 1 331.420 0.622 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001070420229 784029111 /nfs/dbraw/zinc/02/91/11/784029111.db2.gz UHPARUJHSPXTLJ-NSHDSACASA-N 1 1 328.376 0.201 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CN(C(=O)c1cocn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442456 784085735 /nfs/dbraw/zinc/08/57/35/784085735.db2.gz IPQUXBVTOJSONK-ZDUSSCGKSA-N 1 1 340.387 0.666 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070905774 784088537 /nfs/dbraw/zinc/08/85/37/784088537.db2.gz INHMLKHUOPZICV-KFWWJZLASA-N 1 1 345.403 0.705 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070905774 784088540 /nfs/dbraw/zinc/08/85/40/784088540.db2.gz INHMLKHUOPZICV-KFWWJZLASA-N 1 1 345.403 0.705 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001070921223 784117874 /nfs/dbraw/zinc/11/78/74/784117874.db2.gz ROXDGBNZVIHEPY-BNOWGMLFSA-N 1 1 347.375 0.365 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSCC#N)C2)C1 ZINC001070453735 784118749 /nfs/dbraw/zinc/11/87/49/784118749.db2.gz YIERJVZLTXDRKP-ZIAGYGMSSA-N 1 1 338.477 0.692 20 30 ECEDMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cn(C)cn2)[nH]1 ZINC001070476409 784158393 /nfs/dbraw/zinc/15/83/93/784158393.db2.gz LICXEAYATWMQMN-SCDSUCTJSA-N 1 1 342.407 0.091 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnnn2C)CC1 ZINC001070959870 784231490 /nfs/dbraw/zinc/23/14/90/784231490.db2.gz LFNSJGFXCOEGSX-UHFFFAOYSA-N 1 1 334.424 0.045 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnnn2C)CC1 ZINC001070959870 784231495 /nfs/dbraw/zinc/23/14/95/784231495.db2.gz LFNSJGFXCOEGSX-UHFFFAOYSA-N 1 1 334.424 0.045 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)n2)CC1 ZINC001070959845 784231846 /nfs/dbraw/zinc/23/18/46/784231846.db2.gz KPJPUNXFNIXTDG-UHFFFAOYSA-N 1 1 348.451 0.528 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)n2)CC1 ZINC001070959845 784231852 /nfs/dbraw/zinc/23/18/52/784231852.db2.gz KPJPUNXFNIXTDG-UHFFFAOYSA-N 1 1 348.451 0.528 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001070963195 784241598 /nfs/dbraw/zinc/24/15/98/784241598.db2.gz GHIYXXYJQCYKHL-HNNXBMFYSA-N 1 1 335.452 0.033 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001070963589 784245034 /nfs/dbraw/zinc/24/50/34/784245034.db2.gz YIDNBXLBTAQSOQ-SJORKVTESA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCOCC)C1 ZINC001070543788 784248499 /nfs/dbraw/zinc/24/84/99/784248499.db2.gz PUUWLWLLWPVZOT-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCOCC)C1 ZINC001070543788 784248508 /nfs/dbraw/zinc/24/85/08/784248508.db2.gz PUUWLWLLWPVZOT-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cncn2C)CC1 ZINC001070978753 784300223 /nfs/dbraw/zinc/30/02/23/784300223.db2.gz BWLJLCKLBPKUNG-UHFFFAOYSA-N 1 1 333.436 0.650 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCC(=O)NCC[N@@H+](C[C@@H](C)O)CC1 ZINC001070985704 784326958 /nfs/dbraw/zinc/32/69/58/784326958.db2.gz SNBQYZITZUPXIG-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCC(=O)NCC[N@H+](C[C@@H](C)O)CC1 ZINC001070985704 784326965 /nfs/dbraw/zinc/32/69/65/784326965.db2.gz SNBQYZITZUPXIG-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001070990869 784338968 /nfs/dbraw/zinc/33/89/68/784338968.db2.gz AKERELZBJDZTFF-QGZVFWFLSA-N 1 1 341.427 0.732 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001070990869 784338977 /nfs/dbraw/zinc/33/89/77/784338977.db2.gz AKERELZBJDZTFF-QGZVFWFLSA-N 1 1 341.427 0.732 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(=O)NCC[N@@H+](C(C)C)CC2)c1 ZINC001070997369 784359313 /nfs/dbraw/zinc/35/93/13/784359313.db2.gz GEFLDQLERMENPD-UHFFFAOYSA-N 1 1 328.416 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(=O)NCC[N@H+](C(C)C)CC2)c1 ZINC001070997369 784359318 /nfs/dbraw/zinc/35/93/18/784359318.db2.gz GEFLDQLERMENPD-UHFFFAOYSA-N 1 1 328.416 0.735 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ncccn2)CC1 ZINC001071009140 784397276 /nfs/dbraw/zinc/39/72/76/784397276.db2.gz BPAOXICLBGTPGS-UHFFFAOYSA-N 1 1 343.431 0.083 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ncccn2)CC1 ZINC001071009140 784397283 /nfs/dbraw/zinc/39/72/83/784397283.db2.gz BPAOXICLBGTPGS-UHFFFAOYSA-N 1 1 343.431 0.083 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cc[nH]n2)n1 ZINC001070594674 784403082 /nfs/dbraw/zinc/40/30/82/784403082.db2.gz JHQCJXWAVSCDHP-KBPBESRZSA-N 1 1 342.403 0.971 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCOC2)n1 ZINC001070595647 784405256 /nfs/dbraw/zinc/40/52/56/784405256.db2.gz HNSMQXWVQICXCK-PMPSAXMXSA-N 1 1 346.431 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2n[nH]cc2F)n1 ZINC001070598098 784409623 /nfs/dbraw/zinc/40/96/23/784409623.db2.gz LYYVEDNGDIVMGC-RYUDHWBXSA-N 1 1 346.366 0.720 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCNC2=O)n1 ZINC001070598263 784410873 /nfs/dbraw/zinc/41/08/73/784410873.db2.gz VVDVQMNROSNXOQ-IHRRRGAJSA-N 1 1 347.419 0.233 20 30 ECEDMO CC#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]c2)n1 ZINC001070601122 784417341 /nfs/dbraw/zinc/41/73/41/784417341.db2.gz BPMYDKPZEWYJPU-LSDHHAIUSA-N 1 1 342.403 0.971 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@H](CC)C2)CC1 ZINC001071015804 784423944 /nfs/dbraw/zinc/42/39/44/784423944.db2.gz UQNIUDZRTAZEMC-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@H](CC)C2)CC1 ZINC001071015804 784423948 /nfs/dbraw/zinc/42/39/48/784423948.db2.gz UQNIUDZRTAZEMC-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001071017415 784429793 /nfs/dbraw/zinc/42/97/93/784429793.db2.gz XOQYXUBIPDJKHF-UHFFFAOYSA-N 1 1 332.404 0.627 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001071018149 784430809 /nfs/dbraw/zinc/43/08/09/784430809.db2.gz BGZKHNONAIKKOY-IBGZPJMESA-N 1 1 346.475 0.146 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001071022847 784447047 /nfs/dbraw/zinc/44/70/47/784447047.db2.gz DLVPORNMWCLGHF-MRXNPFEDSA-N 1 1 336.480 0.697 20 30 ECEDMO C=CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001071042530 784474200 /nfs/dbraw/zinc/47/42/00/784474200.db2.gz XWCPIUXIEGVSBQ-BWRBCVJASA-N 1 1 347.459 0.923 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001071051929 784484699 /nfs/dbraw/zinc/48/46/99/784484699.db2.gz WIVQHEDTUWJNQI-SJORKVTESA-N 1 1 348.491 0.533 20 30 ECEDMO Cn1cncc1[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NCC#N ZINC001070688427 784553518 /nfs/dbraw/zinc/55/35/18/784553518.db2.gz FJISKSOGXHSLAD-HUUCEWRRSA-N 1 1 344.463 0.560 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1c1cncn1C ZINC001070690763 784558942 /nfs/dbraw/zinc/55/89/42/784558942.db2.gz MCQNOGYJSDMBEW-HUUCEWRRSA-N 1 1 343.435 0.631 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1c1cncn1C ZINC001070690763 784558943 /nfs/dbraw/zinc/55/89/43/784558943.db2.gz MCQNOGYJSDMBEW-HUUCEWRRSA-N 1 1 343.435 0.631 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cccn1)C[C@H](C)O2 ZINC001071138457 784584794 /nfs/dbraw/zinc/58/47/94/784584794.db2.gz FEUWAZJDEXCWMD-FUHWJXTLSA-N 1 1 330.432 0.988 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cccn1)C[C@@H](C)O2 ZINC001071138456 784585301 /nfs/dbraw/zinc/58/53/01/784585301.db2.gz FEUWAZJDEXCWMD-AEFFLSMTSA-N 1 1 330.432 0.988 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001070731657 784621591 /nfs/dbraw/zinc/62/15/91/784621591.db2.gz HRMIYHGSIRYNAD-LSDHHAIUSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001070732126 784622837 /nfs/dbraw/zinc/62/28/37/784622837.db2.gz WMPADBNVLYUWLP-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@H](C)O2 ZINC001071159172 784626196 /nfs/dbraw/zinc/62/61/96/784626196.db2.gz IHLPOQGFNQQZOM-SUMWQHHRSA-N 1 1 333.388 0.307 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@@H](C)O2 ZINC001071169363 784647943 /nfs/dbraw/zinc/64/79/43/784647943.db2.gz PRRZWTPLIGGPIY-DYVFJYSZSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)C[C@H](C)O2 ZINC001071173466 784658473 /nfs/dbraw/zinc/65/84/73/784658473.db2.gz IZFXPQPXBKVOSX-YVEFUNNKSA-N 1 1 340.387 0.292 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)C[C@H](C)O2 ZINC001071173466 784658477 /nfs/dbraw/zinc/65/84/77/784658477.db2.gz IZFXPQPXBKVOSX-YVEFUNNKSA-N 1 1 340.387 0.292 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070758207 784659020 /nfs/dbraw/zinc/65/90/20/784659020.db2.gz SYMGMJMQYRCXJB-DZGCQCFKSA-N 1 1 334.420 0.890 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1C)C[C@H](C)O2 ZINC001071173826 784660263 /nfs/dbraw/zinc/66/02/63/784660263.db2.gz OBNSIOIDFZYQPK-KXBFYZLASA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3n1CCC3)C[C@@H](C)O2 ZINC001071177969 784670099 /nfs/dbraw/zinc/67/00/99/784670099.db2.gz IQNLYSICKMGTLD-RDTXWAMCSA-N 1 1 328.416 0.768 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@@H](C)O2 ZINC001071178103 784672045 /nfs/dbraw/zinc/67/20/45/784672045.db2.gz KRMFQDDBQRRZGM-KDOFPFPSSA-N 1 1 346.431 0.662 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@H](C)O2 ZINC001071178530 784672974 /nfs/dbraw/zinc/67/29/74/784672974.db2.gz RBKHRWXWTHUFMZ-KBXCAEBGSA-N 1 1 344.415 0.109 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc[nH]c1=O)C[C@H](C)O2 ZINC001071180859 784679224 /nfs/dbraw/zinc/67/92/24/784679224.db2.gz SGITZLAXTPNKTC-SUMWQHHRSA-N 1 1 330.388 0.511 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C[C@@H](C)O2 ZINC001071182924 784682220 /nfs/dbraw/zinc/68/22/20/784682220.db2.gz GMCCYQAOQISEJH-ACJLOTCBSA-N 1 1 328.416 0.837 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C[C@@H](C)O2 ZINC001071182924 784682223 /nfs/dbraw/zinc/68/22/23/784682223.db2.gz GMCCYQAOQISEJH-ACJLOTCBSA-N 1 1 328.416 0.837 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)cn1C)C[C@H](C)O2 ZINC001071186394 784691164 /nfs/dbraw/zinc/69/11/64/784691164.db2.gz VCMRAEZCZUQCEM-SCLBCKFNSA-N 1 1 344.415 0.063 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@H](C)O2 ZINC001071189214 784694478 /nfs/dbraw/zinc/69/44/78/784694478.db2.gz HODZMQTZHLZPAL-SUMWQHHRSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@H](C)O2 ZINC001071189214 784694483 /nfs/dbraw/zinc/69/44/83/784694483.db2.gz HODZMQTZHLZPAL-SUMWQHHRSA-N 1 1 330.388 0.424 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@@H](C)O2 ZINC001071190087 784697029 /nfs/dbraw/zinc/69/70/29/784697029.db2.gz UCNXPEQCXJNMFQ-CXAGYDPISA-N 1 1 332.404 0.977 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cncc1C)C[C@H](C)O2 ZINC001071191630 784701775 /nfs/dbraw/zinc/70/17/75/784701775.db2.gz HSQVKWVXDAIPGH-FUHWJXTLSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cc(CC)nn1C)C[C@@H](C)O2 ZINC001071192143 784703674 /nfs/dbraw/zinc/70/36/74/784703674.db2.gz MDRJSDFPUSOWLH-DNVCBOLYSA-N 1 1 344.459 0.850 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cc(CC)nn1C)C[C@H](C)O2 ZINC001071192147 784703711 /nfs/dbraw/zinc/70/37/11/784703711.db2.gz MDRJSDFPUSOWLH-KXBFYZLASA-N 1 1 344.459 0.850 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@H](C)O2 ZINC001071194446 784709491 /nfs/dbraw/zinc/70/94/91/784709491.db2.gz JJUXUDLBOJBQSG-MAUKXSAKSA-N 1 1 345.447 0.556 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn3nnnc3c1)C[C@H](C)O2 ZINC001071200408 784722148 /nfs/dbraw/zinc/72/21/48/784722148.db2.gz WHTBCTAIYDHDDU-SUMWQHHRSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn3nnnc3c1)C[C@H](C)O2 ZINC001071200408 784722152 /nfs/dbraw/zinc/72/21/52/784722152.db2.gz WHTBCTAIYDHDDU-SUMWQHHRSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ncccc1OC)C[C@H](C)O2 ZINC001071204857 784732296 /nfs/dbraw/zinc/73/22/96/784732296.db2.gz SPEORQVUGRWRNN-KXBFYZLASA-N 1 1 343.427 0.958 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@H+](CCF)C3)C2)nn1 ZINC001071215845 784755917 /nfs/dbraw/zinc/75/59/17/784755917.db2.gz HQYFGIFTWMUPJZ-XJKSGUPXSA-N 1 1 337.399 0.739 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CCF)C3)C2)nn1 ZINC001071215845 784755923 /nfs/dbraw/zinc/75/59/23/784755923.db2.gz HQYFGIFTWMUPJZ-XJKSGUPXSA-N 1 1 337.399 0.739 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nccc1C)C[C@@H](C)O2 ZINC001071216896 784758539 /nfs/dbraw/zinc/75/85/39/784758539.db2.gz XVTVJLFECSVXDW-SJLPKXTDSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)N1CCOCC1)C[C@H](C)O2 ZINC001071218383 784762693 /nfs/dbraw/zinc/76/26/93/784762693.db2.gz MZOLFVKKIIOGIP-QFBILLFUSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnn(CC)c1)C[C@@H](C)O2 ZINC001071225423 784781189 /nfs/dbraw/zinc/78/11/89/784781189.db2.gz KCKJRSDMFJNCBH-CRAIPNDOSA-N 1 1 330.432 0.771 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@@H](C)O2 ZINC001071225791 784782503 /nfs/dbraw/zinc/78/25/03/784782503.db2.gz PTFNGVRJAOSSJV-PXAZEXFGSA-N 1 1 330.388 0.052 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@H](C)O2 ZINC001071230087 784792340 /nfs/dbraw/zinc/79/23/40/784792340.db2.gz FHRDXZWATKXKPJ-GUYCJALGSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@H](C)O2 ZINC001071230087 784792344 /nfs/dbraw/zinc/79/23/44/784792344.db2.gz FHRDXZWATKXKPJ-GUYCJALGSA-N 1 1 330.388 0.424 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@H](C)O2 ZINC001071241607 784816280 /nfs/dbraw/zinc/81/62/80/784816280.db2.gz XUSPLIGIUQAPAT-SCLBCKFNSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071244539 784823953 /nfs/dbraw/zinc/82/39/53/784823953.db2.gz WQYLUMNFNPLVQZ-FZKQIMNGSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071244539 784823955 /nfs/dbraw/zinc/82/39/55/784823955.db2.gz WQYLUMNFNPLVQZ-FZKQIMNGSA-N 1 1 342.399 0.119 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C3=COCCO3)C2)C(=O)C1 ZINC001071253131 784843310 /nfs/dbraw/zinc/84/33/10/784843310.db2.gz HLERKBIPPFKKDB-OAHLLOKOSA-N 1 1 349.431 0.586 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C3=COCCO3)C2)C(=O)C1 ZINC001071253131 784843314 /nfs/dbraw/zinc/84/33/14/784843314.db2.gz HLERKBIPPFKKDB-OAHLLOKOSA-N 1 1 349.431 0.586 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)C(=O)C1 ZINC001071256960 784857488 /nfs/dbraw/zinc/85/74/88/784857488.db2.gz MTFLYOSBEGKJFO-INIZCTEOSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)C(=O)C1 ZINC001071256960 784857501 /nfs/dbraw/zinc/85/75/01/784857501.db2.gz MTFLYOSBEGKJFO-INIZCTEOSA-N 1 1 345.447 0.745 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001071322687 784951093 /nfs/dbraw/zinc/95/10/93/784951093.db2.gz LLNYWNCZINIEKL-RHSMWYFYSA-N 1 1 325.453 0.763 20 30 ECEDMO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001068757175 791078786 /nfs/dbraw/zinc/07/87/86/791078786.db2.gz OGRPZXPUFZPFEG-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071430578 785077663 /nfs/dbraw/zinc/07/76/63/785077663.db2.gz CJKRHTVWEPJUPI-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CC(=O)N1CCC1 ZINC001071430578 785077666 /nfs/dbraw/zinc/07/76/66/785077666.db2.gz CJKRHTVWEPJUPI-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C2)c1 ZINC001071813716 785144950 /nfs/dbraw/zinc/14/49/50/785144950.db2.gz DQTQVGKQAOGIGY-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)N(C)C)C2)c1 ZINC001071813716 785144954 /nfs/dbraw/zinc/14/49/54/785144954.db2.gz DQTQVGKQAOGIGY-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC[C@@H]1C ZINC001071896324 785289171 /nfs/dbraw/zinc/28/91/71/785289171.db2.gz FRXOFHDEXJRILN-KBPBESRZSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC[C@H]1C ZINC001071896310 785289197 /nfs/dbraw/zinc/28/91/97/785289197.db2.gz FRGUGVJYWXXICB-OLZOCXBDSA-N 1 1 327.388 0.547 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@H]1C ZINC001071968630 785438741 /nfs/dbraw/zinc/43/87/41/785438741.db2.gz WHIBPDQYOLXQHG-HUUCEWRRSA-N 1 1 347.463 0.926 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1C ZINC001071969035 785439568 /nfs/dbraw/zinc/43/95/68/785439568.db2.gz YMJPQAZTJRYNOF-CHWSQXEVSA-N 1 1 334.420 0.309 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2sccc2-n2cnnn2)CC[C@@H]1C ZINC001071645956 785441483 /nfs/dbraw/zinc/44/14/83/785441483.db2.gz PJVRBRCJJRPBPP-NWDGAFQWSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2sccc2-n2cnnn2)CC[C@@H]1C ZINC001071645956 785441489 /nfs/dbraw/zinc/44/14/89/785441489.db2.gz PJVRBRCJJRPBPP-NWDGAFQWSA-N 1 1 330.417 0.940 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071660902 785469359 /nfs/dbraw/zinc/46/93/59/785469359.db2.gz CPLLNRYQLLAANR-STQMWFEESA-N 1 1 326.466 0.548 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)N3CCC3)C2)cn1 ZINC001072002127 785508801 /nfs/dbraw/zinc/50/88/01/785508801.db2.gz IXFORJXAWHUZKH-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001072002127 785508809 /nfs/dbraw/zinc/50/88/09/785508809.db2.gz IXFORJXAWHUZKH-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1C ZINC001072050480 785573805 /nfs/dbraw/zinc/57/38/05/785573805.db2.gz YFLZPCVUKQYASO-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001072053377 785581807 /nfs/dbraw/zinc/58/18/07/785581807.db2.gz WGJQHHPYWYAHKR-CJNGLKHVSA-N 1 1 346.431 0.972 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001071744003 785624558 /nfs/dbraw/zinc/62/45/58/785624558.db2.gz IGBYXNQNKRUFNE-DOMZBBRYSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001071744003 785624561 /nfs/dbraw/zinc/62/45/61/785624561.db2.gz IGBYXNQNKRUFNE-DOMZBBRYSA-N 1 1 339.403 0.865 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@@H]1C ZINC001072099202 785667896 /nfs/dbraw/zinc/66/78/96/785667896.db2.gz NMTKIXWXHZOVQK-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C2)nn1 ZINC001072124454 785704510 /nfs/dbraw/zinc/70/45/10/785704510.db2.gz ANZOXYNQHROOEL-ZIAGYGMSSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](C)C2)nn1 ZINC001072125514 785706649 /nfs/dbraw/zinc/70/66/49/785706649.db2.gz MMWJVPNGKYTFSU-KBPBESRZSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C[N@H+](C)CCC)C2)nn1 ZINC001072126700 785709481 /nfs/dbraw/zinc/70/94/81/785709481.db2.gz VTLGDJLIGBIEEU-KGLIPLIRSA-N 1 1 348.451 0.383 20 30 ECEDMO C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072252471 785892889 /nfs/dbraw/zinc/89/28/89/785892889.db2.gz VJYDNHSFBWCJCB-WCQYABFASA-N 1 1 342.407 0.298 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)nc1 ZINC001072464960 786222775 /nfs/dbraw/zinc/22/27/75/786222775.db2.gz PBRYOKQWIMTBMG-RHSMWYFYSA-N 1 1 342.443 0.980 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001072479307 786247362 /nfs/dbraw/zinc/24/73/62/786247362.db2.gz VSTJDUKNKXLDCL-SWLSCSKDSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001072499071 786287139 /nfs/dbraw/zinc/28/71/39/786287139.db2.gz RUOYKTUHHPEMEZ-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001072547916 786351764 /nfs/dbraw/zinc/35/17/64/786351764.db2.gz LBSGVYRROUFLJK-MRXNPFEDSA-N 1 1 338.411 0.871 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001072547916 786351766 /nfs/dbraw/zinc/35/17/66/786351766.db2.gz LBSGVYRROUFLJK-MRXNPFEDSA-N 1 1 338.411 0.871 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)C3CCC3)C2)C1=O ZINC001073507806 786440737 /nfs/dbraw/zinc/44/07/37/786440737.db2.gz GELZGEQHMVAVTJ-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)C3CCC3)C2)C1=O ZINC001073507806 786440740 /nfs/dbraw/zinc/44/07/40/786440740.db2.gz GELZGEQHMVAVTJ-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 ZINC001074269597 786554494 /nfs/dbraw/zinc/55/44/94/786554494.db2.gz XSFGINQFYNPKPE-LSDHHAIUSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 ZINC001074269597 786554498 /nfs/dbraw/zinc/55/44/98/786554498.db2.gz XSFGINQFYNPKPE-LSDHHAIUSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCN1CCO[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001074281959 786582756 /nfs/dbraw/zinc/58/27/56/786582756.db2.gz KPLJEXPBXJTNSM-HOTGVXAUSA-N 1 1 334.420 0.838 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 ZINC001074302770 786635423 /nfs/dbraw/zinc/63/54/23/786635423.db2.gz XELFQLKXXFCZTQ-CVEARBPZSA-N 1 1 333.436 0.718 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 ZINC001074302770 786635431 /nfs/dbraw/zinc/63/54/31/786635431.db2.gz XELFQLKXXFCZTQ-CVEARBPZSA-N 1 1 333.436 0.718 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001073573488 786651029 /nfs/dbraw/zinc/65/10/29/786651029.db2.gz NPURRQDKIKFFPR-UHFFFAOYSA-N 1 1 345.447 0.513 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CCOC)c2C)C1 ZINC001073601046 786746060 /nfs/dbraw/zinc/74/60/60/786746060.db2.gz DZUXCWYHLAFBBM-HNNXBMFYSA-N 1 1 336.436 0.845 20 30 ECEDMO C#CCCN1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001074361198 786753539 /nfs/dbraw/zinc/75/35/39/786753539.db2.gz YEECETUEYHLTES-IAGOWNOFSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001073603442 786753983 /nfs/dbraw/zinc/75/39/83/786753983.db2.gz GYAYMBGAUPAWEW-ZBFHGGJFSA-N 1 1 348.447 0.853 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001073603442 786753992 /nfs/dbraw/zinc/75/39/92/786753992.db2.gz GYAYMBGAUPAWEW-ZBFHGGJFSA-N 1 1 348.447 0.853 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001073615642 786774629 /nfs/dbraw/zinc/77/46/29/786774629.db2.gz MUEYYFIMYHKYOU-OAHLLOKOSA-N 1 1 327.384 0.635 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001073615642 786774635 /nfs/dbraw/zinc/77/46/35/786774635.db2.gz MUEYYFIMYHKYOU-OAHLLOKOSA-N 1 1 327.384 0.635 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001073618216 786781126 /nfs/dbraw/zinc/78/11/26/786781126.db2.gz XPGQPZUGEPUYBR-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001073630876 786817487 /nfs/dbraw/zinc/81/74/87/786817487.db2.gz IKXVFYBJNKYBIK-CQSZACIVSA-N 1 1 327.388 0.720 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001073630876 786817495 /nfs/dbraw/zinc/81/74/95/786817495.db2.gz IKXVFYBJNKYBIK-CQSZACIVSA-N 1 1 327.388 0.720 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001073630979 786819239 /nfs/dbraw/zinc/81/92/39/786819239.db2.gz LLRRCWGBOWGCOP-AWEZNQCLSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001073630979 786819251 /nfs/dbraw/zinc/81/92/51/786819251.db2.gz LLRRCWGBOWGCOP-AWEZNQCLSA-N 1 1 339.399 0.926 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001073634824 786830786 /nfs/dbraw/zinc/83/07/86/786830786.db2.gz WTAXEFPVYQOCCJ-WBVHZDCISA-N 1 1 342.443 0.812 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001073634819 786831229 /nfs/dbraw/zinc/83/12/29/786831229.db2.gz WTAXEFPVYQOCCJ-NVXWUHKLSA-N 1 1 342.443 0.812 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001073636959 786836556 /nfs/dbraw/zinc/83/65/56/786836556.db2.gz MAONUZXTSQFKLH-PBHICJAKSA-N 1 1 341.411 0.354 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001073636959 786836566 /nfs/dbraw/zinc/83/65/66/786836566.db2.gz MAONUZXTSQFKLH-PBHICJAKSA-N 1 1 341.411 0.354 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3ncccc23)C1 ZINC001073637332 786837293 /nfs/dbraw/zinc/83/72/93/786837293.db2.gz WMJDZEDOFAZUMR-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3ncccc23)C1 ZINC001073637332 786837304 /nfs/dbraw/zinc/83/73/04/786837304.db2.gz WMJDZEDOFAZUMR-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001073671128 786928556 /nfs/dbraw/zinc/92/85/56/786928556.db2.gz WJYUIQRXKQMKIC-MRXNPFEDSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001073671128 786928564 /nfs/dbraw/zinc/92/85/64/786928564.db2.gz WJYUIQRXKQMKIC-MRXNPFEDSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001073680972 786957120 /nfs/dbraw/zinc/95/71/20/786957120.db2.gz AMRIOGUAWWPSOW-MRXNPFEDSA-N 1 1 341.411 0.659 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001073680972 786957126 /nfs/dbraw/zinc/95/71/26/786957126.db2.gz AMRIOGUAWWPSOW-MRXNPFEDSA-N 1 1 341.411 0.659 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3ncnn32)C1 ZINC001073681092 786957699 /nfs/dbraw/zinc/95/76/99/786957699.db2.gz COWBFIQFGMJVPM-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001073684105 786964616 /nfs/dbraw/zinc/96/46/16/786964616.db2.gz IIHWTXORFRVDKY-DLBZAZTESA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001073693532 786981883 /nfs/dbraw/zinc/98/18/83/786981883.db2.gz DUPAYCOVUQPULA-HNNXBMFYSA-N 1 1 344.419 0.911 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001073703234 787007260 /nfs/dbraw/zinc/00/72/60/787007260.db2.gz JEOQRFMYEXBVPF-CQSZACIVSA-N 1 1 334.420 0.567 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001073709345 787018780 /nfs/dbraw/zinc/01/87/80/787018780.db2.gz VJCDLAHVRJOXFO-CYBMUJFWSA-N 1 1 327.388 0.720 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001073709345 787018790 /nfs/dbraw/zinc/01/87/90/787018790.db2.gz VJCDLAHVRJOXFO-CYBMUJFWSA-N 1 1 327.388 0.720 20 30 ECEDMO C=CCN1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073710375 787020441 /nfs/dbraw/zinc/02/04/41/787020441.db2.gz YSRARLIDGWKDKD-BNQMIIOLSA-N 1 1 335.448 0.243 20 30 ECEDMO C=CCN1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073710375 787020449 /nfs/dbraw/zinc/02/04/49/787020449.db2.gz YSRARLIDGWKDKD-BNQMIIOLSA-N 1 1 335.448 0.243 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001073712529 787026245 /nfs/dbraw/zinc/02/62/45/787026245.db2.gz FDHARMZQTOFXNT-UONOGXRCSA-N 1 1 334.420 0.920 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001073712593 787026668 /nfs/dbraw/zinc/02/66/68/787026668.db2.gz GVOURYPSYJOTEP-CABCVRRESA-N 1 1 346.431 0.378 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001073712593 787026676 /nfs/dbraw/zinc/02/66/76/787026676.db2.gz GVOURYPSYJOTEP-CABCVRRESA-N 1 1 346.431 0.378 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001073716547 787039934 /nfs/dbraw/zinc/03/99/34/787039934.db2.gz FYMMFPUYXSNXHA-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001073716547 787039940 /nfs/dbraw/zinc/03/99/40/787039940.db2.gz FYMMFPUYXSNXHA-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001073722621 787057880 /nfs/dbraw/zinc/05/78/80/787057880.db2.gz NDRDNUDWTPEUHF-ZIAGYGMSSA-N 1 1 333.388 0.980 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001073722621 787057887 /nfs/dbraw/zinc/05/78/87/787057887.db2.gz NDRDNUDWTPEUHF-ZIAGYGMSSA-N 1 1 333.388 0.980 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073740143 787093280 /nfs/dbraw/zinc/09/32/80/787093280.db2.gz BWTZJBSZFSLCBY-SJORKVTESA-N 1 1 339.480 0.879 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073740143 787093289 /nfs/dbraw/zinc/09/32/89/787093289.db2.gz BWTZJBSZFSLCBY-SJORKVTESA-N 1 1 339.480 0.879 20 30 ECEDMO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073740949 787094827 /nfs/dbraw/zinc/09/48/27/787094827.db2.gz MBABCOLCAWAIBC-IAGOWNOFSA-N 1 1 339.480 0.879 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073740949 787094836 /nfs/dbraw/zinc/09/48/36/787094836.db2.gz MBABCOLCAWAIBC-IAGOWNOFSA-N 1 1 339.480 0.879 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 ZINC001073742803 787100374 /nfs/dbraw/zinc/10/03/74/787100374.db2.gz GKRDQXHUEBMVAJ-ZDUSSCGKSA-N 1 1 333.388 0.151 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001074518829 787156358 /nfs/dbraw/zinc/15/63/58/787156358.db2.gz ULZMUNIMYSVURI-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)CCCO1 ZINC001073775580 787183270 /nfs/dbraw/zinc/18/32/70/787183270.db2.gz XKDRMCCOUCSQNX-OAGGEKHMSA-N 1 1 349.435 0.076 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001073781688 787191694 /nfs/dbraw/zinc/19/16/94/787191694.db2.gz LRPLCBVTTPOQFT-CQSZACIVSA-N 1 1 348.447 0.748 20 30 ECEDMO CC#CCN1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073815442 787250086 /nfs/dbraw/zinc/25/00/86/787250086.db2.gz AMCPHNDCMKLGML-QGZVFWFLSA-N 1 1 347.463 0.289 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001073815517 787250636 /nfs/dbraw/zinc/25/06/36/787250636.db2.gz CSHPRUUAFWBXIU-CYBMUJFWSA-N 1 1 331.376 0.442 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)c3cnc(C)[nH]3)[C@H]2C)C1=O ZINC001074567060 787276607 /nfs/dbraw/zinc/27/66/07/787276607.db2.gz SRXKLJOJJRHKDH-UBHSHLNASA-N 1 1 331.420 0.698 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc3ncccn3n2)C1 ZINC001073830033 787295503 /nfs/dbraw/zinc/29/55/03/787295503.db2.gz FLPXAFXBMVQVMW-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3ncccn3n2)C1 ZINC001073830033 787295513 /nfs/dbraw/zinc/29/55/13/787295513.db2.gz FLPXAFXBMVQVMW-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nccn3cc(C)nc23)C1 ZINC001073847533 787345760 /nfs/dbraw/zinc/34/57/60/787345760.db2.gz CPELDNFLUKBOPQ-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nccn3cc(C)nc23)C1 ZINC001073847533 787345768 /nfs/dbraw/zinc/34/57/68/787345768.db2.gz CPELDNFLUKBOPQ-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001073853572 787364847 /nfs/dbraw/zinc/36/48/47/787364847.db2.gz JETHOYZWWVCCGX-OFLPRAFFSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001073853572 787364860 /nfs/dbraw/zinc/36/48/60/787364860.db2.gz JETHOYZWWVCCGX-OFLPRAFFSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001073853750 787366584 /nfs/dbraw/zinc/36/65/84/787366584.db2.gz NGDVDUBSQPROSE-GJZGRUSLSA-N 1 1 338.452 0.703 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001073861948 787387229 /nfs/dbraw/zinc/38/72/29/787387229.db2.gz KMRQZXPWOYCRSS-HUUCEWRRSA-N 1 1 347.415 0.295 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001073876826 787421292 /nfs/dbraw/zinc/42/12/92/787421292.db2.gz NVTAFCQRPZBDTC-AWEZNQCLSA-N 1 1 344.419 0.830 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001073883262 787429069 /nfs/dbraw/zinc/42/90/69/787429069.db2.gz IFWNXXMUUFDDGM-HNNXBMFYSA-N 1 1 330.388 0.631 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001073883262 787429075 /nfs/dbraw/zinc/42/90/75/787429075.db2.gz IFWNXXMUUFDDGM-HNNXBMFYSA-N 1 1 330.388 0.631 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)nn3cccnc23)C1 ZINC001073889477 787443628 /nfs/dbraw/zinc/44/36/28/787443628.db2.gz RDKKHAGDIQOBKR-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001073899512 787475304 /nfs/dbraw/zinc/47/53/04/787475304.db2.gz VWWOSKVYEVTLOP-CVEARBPZSA-N 1 1 345.447 0.379 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001073911463 787508352 /nfs/dbraw/zinc/50/83/52/787508352.db2.gz RIAJOXJCTIZGJJ-CQSZACIVSA-N 1 1 330.388 0.025 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001073959636 787585455 /nfs/dbraw/zinc/58/54/55/787585455.db2.gz HEQVKCFBBZXSPN-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3c[nH]nn3)[C@H]2C)C1=O ZINC001074895760 788507134 /nfs/dbraw/zinc/50/71/34/788507134.db2.gz NLUTXNIYPGFJAD-QEJZJMRPSA-N 1 1 346.435 0.103 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3cnn[nH]3)[C@H]2C)C1=O ZINC001074895760 788507142 /nfs/dbraw/zinc/50/71/42/788507142.db2.gz NLUTXNIYPGFJAD-QEJZJMRPSA-N 1 1 346.435 0.103 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)[C@@H]1C ZINC001074899779 788518366 /nfs/dbraw/zinc/51/83/66/788518366.db2.gz OPDSDJXUJVRQEH-ATGSNQNLSA-N 1 1 346.435 0.678 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)[C@@H]2C)nn1 ZINC001074949426 788595386 /nfs/dbraw/zinc/59/53/86/788595386.db2.gz AICISPZPVUNCBA-GVXVVHGQSA-N 1 1 344.423 0.844 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001074981070 788660021 /nfs/dbraw/zinc/66/00/21/788660021.db2.gz BVKTXRXGHKZXQM-DOTOQJQBSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)COc3c(C)nn(C)c3C)C2)C1 ZINC001072735673 788671007 /nfs/dbraw/zinc/67/10/07/788671007.db2.gz LLQFJMWPFIQQKQ-UHFFFAOYSA-N 1 1 330.432 0.973 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001074992488 788682495 /nfs/dbraw/zinc/68/24/95/788682495.db2.gz FILPEKGSMQSOIX-HZPDHXFCSA-N 1 1 337.464 0.862 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001072762074 788743092 /nfs/dbraw/zinc/74/30/92/788743092.db2.gz PETCNFQBIBPMQG-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001075066331 788841074 /nfs/dbraw/zinc/84/10/74/788841074.db2.gz BDYVPUJBCLLFOR-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCN1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C2)C1 ZINC001072811692 788859642 /nfs/dbraw/zinc/85/96/42/788859642.db2.gz BPPHTWKEGGSOLP-KRWDZBQOSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CCN1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C2)C1 ZINC001072811692 788859654 /nfs/dbraw/zinc/85/96/54/788859654.db2.gz BPPHTWKEGGSOLP-KRWDZBQOSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1cnon1)C2 ZINC001072822405 788890339 /nfs/dbraw/zinc/89/03/39/788890339.db2.gz FPJCUDNHCYMZIC-HNNXBMFYSA-N 1 1 329.404 0.202 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1cnon1)C2 ZINC001072822405 788890350 /nfs/dbraw/zinc/89/03/50/788890350.db2.gz FPJCUDNHCYMZIC-HNNXBMFYSA-N 1 1 329.404 0.202 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3ccnc(N4CCCC4)n3)C2)C1 ZINC001072867499 788993041 /nfs/dbraw/zinc/99/30/41/788993041.db2.gz GIIGIWJHWRUAEO-UHFFFAOYSA-N 1 1 325.416 0.858 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3ccc(S(N)(=O)=O)o3)C2)C1 ZINC001072896210 789058890 /nfs/dbraw/zinc/05/88/90/789058890.db2.gz BTVWXTLJHWUWAQ-UHFFFAOYSA-N 1 1 337.401 0.098 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)C#CC(C)(C)C)CC2)C1 ZINC001072922549 789120853 /nfs/dbraw/zinc/12/08/53/789120853.db2.gz SDZUCJMILBIVOS-OAHLLOKOSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)C#CC(C)(C)C)CC2)C1 ZINC001072922549 789120854 /nfs/dbraw/zinc/12/08/54/789120854.db2.gz SDZUCJMILBIVOS-OAHLLOKOSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4n[nH]cc4F)C3)C2)C1=O ZINC001072958677 789164573 /nfs/dbraw/zinc/16/45/73/789164573.db2.gz NHFJEOBLROMWQO-ZDUSSCGKSA-N 1 1 347.394 0.484 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(=O)NC)C3)c1 ZINC001072968582 789181271 /nfs/dbraw/zinc/18/12/71/789181271.db2.gz SPYLYPAOORHYRJ-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cnnn1CC)C2 ZINC001072994664 789245709 /nfs/dbraw/zinc/24/57/09/789245709.db2.gz LXRWIACIUYISCK-CVEARBPZSA-N 1 1 345.447 0.923 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cnnn1CC)C2 ZINC001072994664 789245716 /nfs/dbraw/zinc/24/57/16/789245716.db2.gz LXRWIACIUYISCK-CVEARBPZSA-N 1 1 345.447 0.923 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073026281 789297558 /nfs/dbraw/zinc/29/75/58/789297558.db2.gz ZBXAIJDVRAAOKK-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073026281 789297565 /nfs/dbraw/zinc/29/75/65/789297565.db2.gz ZBXAIJDVRAAOKK-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2 ZINC001073045881 789340050 /nfs/dbraw/zinc/34/00/50/789340050.db2.gz BCANKYJFWBDCKI-KKUMJFAQSA-N 1 1 335.448 0.766 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3ccc(-n4ccnc4)nn3)C2)C1 ZINC001073056055 789361624 /nfs/dbraw/zinc/36/16/24/789361624.db2.gz NBNNUVDWWCHBNU-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)CC1 ZINC001075455266 789378764 /nfs/dbraw/zinc/37/87/64/789378764.db2.gz BNLARYWOJPRJEY-WBVHZDCISA-N 1 1 346.475 0.984 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ncccn4)C3)C2)C1=O ZINC001073069183 789385462 /nfs/dbraw/zinc/38/54/62/789385462.db2.gz RQVJCIJKLAIVBE-CQSZACIVSA-N 1 1 341.415 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)C(F)F)CC1 ZINC001073121888 789477669 /nfs/dbraw/zinc/47/76/69/789477669.db2.gz OLVVRBQNSBHFPO-LBPRGKRZSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)C(F)F)CC1 ZINC001073121888 789477673 /nfs/dbraw/zinc/47/76/73/789477673.db2.gz OLVVRBQNSBHFPO-LBPRGKRZSA-N 1 1 327.375 0.846 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N2CCC2)C3)cn1 ZINC001073137620 789511410 /nfs/dbraw/zinc/51/14/10/789511410.db2.gz BPAXWAWIMUFTBT-UHFFFAOYSA-N 1 1 338.411 0.443 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCCC(C)=O ZINC001075599368 789550622 /nfs/dbraw/zinc/55/06/22/789550622.db2.gz FWWLFLVMTAMWIQ-HOCLYGCPSA-N 1 1 335.448 0.854 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCCC(C)=O ZINC001075599368 789550627 /nfs/dbraw/zinc/55/06/27/789550627.db2.gz FWWLFLVMTAMWIQ-HOCLYGCPSA-N 1 1 335.448 0.854 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C(=O)C(C)(C)C)[C@@H]3C2)C1=O ZINC001075625368 789585977 /nfs/dbraw/zinc/58/59/77/789585977.db2.gz BKOWHGYGIDBJOO-RRFJBIMHSA-N 1 1 347.459 0.921 20 30 ECEDMO C=CCOCC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001073260646 789668499 /nfs/dbraw/zinc/66/84/99/789668499.db2.gz PIXJZNVLXVLGAH-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C[C@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001069221736 789673176 /nfs/dbraw/zinc/67/31/76/789673176.db2.gz VBMSXEXMEFSCCP-QWHCGFSZSA-N 1 1 328.420 0.656 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2N(c2nccnc2C#N)CC3)C1 ZINC001069265334 789716107 /nfs/dbraw/zinc/71/61/07/789716107.db2.gz AFDYEVYMHPHYIR-DHSIGJKJSA-N 1 1 340.431 0.918 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)COc3ccc(C(N)=O)cc3)C2)C1 ZINC001073437093 789839855 /nfs/dbraw/zinc/83/98/55/789839855.db2.gz IMBBGVSJPFXRGX-UHFFFAOYSA-N 1 1 341.411 0.722 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)Cc3nc(C4CC4)nn3C)C2)C1 ZINC001073445280 789851375 /nfs/dbraw/zinc/85/13/75/789851375.db2.gz IHHPPHNWLBJCPM-UHFFFAOYSA-N 1 1 327.432 0.793 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)COc3cccc(C(N)=O)c3)C2)C1 ZINC001073456265 789863634 /nfs/dbraw/zinc/86/36/34/789863634.db2.gz YUNFTGLILPBSQM-UHFFFAOYSA-N 1 1 341.411 0.722 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCN([C@H](C)C(=O)NC)C3)CC1 ZINC001073457479 789865024 /nfs/dbraw/zinc/86/50/24/789865024.db2.gz RZRPAVLNCBZBMB-OAHLLOKOSA-N 1 1 346.475 0.000 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 ZINC001069815147 790049543 /nfs/dbraw/zinc/04/95/43/790049543.db2.gz WHPXBSSGAYJGHU-OAHLLOKOSA-N 1 1 326.404 0.695 20 30 ECEDMO C=CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)c3ncn[nH]3)n2)C1 ZINC001069839539 790072387 /nfs/dbraw/zinc/07/23/87/790072387.db2.gz CFDAFFJVGXXPPO-CYBMUJFWSA-N 1 1 327.392 0.484 20 30 ECEDMO C=CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)c3nc[nH]n3)n2)C1 ZINC001069839539 790072392 /nfs/dbraw/zinc/07/23/92/790072392.db2.gz CFDAFFJVGXXPPO-CYBMUJFWSA-N 1 1 327.392 0.484 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCc2cccc(N3CC[C@H](NCC#N)C3)n2)C1 ZINC001069840599 790074336 /nfs/dbraw/zinc/07/43/36/790074336.db2.gz HQZDLGMBYWRBFX-ZBFHGGJFSA-N 1 1 342.447 0.341 20 30 ECEDMO C=C(C)CN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](C)CCO3)c2C1 ZINC001069857100 790106908 /nfs/dbraw/zinc/10/69/08/790106908.db2.gz ZUHVXGLXPFYNQD-MRXNPFEDSA-N 1 1 333.436 0.222 20 30 ECEDMO C=C(C)CN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)c2C1 ZINC001069857100 790106911 /nfs/dbraw/zinc/10/69/11/790106911.db2.gz ZUHVXGLXPFYNQD-MRXNPFEDSA-N 1 1 333.436 0.222 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3COC(=O)N3)c2C1 ZINC001069859110 790109672 /nfs/dbraw/zinc/10/96/72/790109672.db2.gz FURSMBFCYCXGAG-ZDUSSCGKSA-N 1 1 333.392 0.390 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3COC(=O)N3)c2C1 ZINC001069859110 790109675 /nfs/dbraw/zinc/10/96/75/790109675.db2.gz FURSMBFCYCXGAG-ZDUSSCGKSA-N 1 1 333.392 0.390 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)c2C1 ZINC001069864471 790120458 /nfs/dbraw/zinc/12/04/58/790120458.db2.gz REPWOOLHNMPGEX-SJORKVTESA-N 1 1 341.459 0.965 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)c3cnn(C)n3)c2C1 ZINC001069877556 790140256 /nfs/dbraw/zinc/14/02/56/790140256.db2.gz BAFDHGQSUNWWFB-UHFFFAOYSA-N 1 1 329.408 0.723 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)c3cnn(C)n3)c2C1 ZINC001069877556 790140258 /nfs/dbraw/zinc/14/02/58/790140258.db2.gz BAFDHGQSUNWWFB-UHFFFAOYSA-N 1 1 329.408 0.723 20 30 ECEDMO C=C(C)CN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)c2C1 ZINC001069882978 790148570 /nfs/dbraw/zinc/14/85/70/790148570.db2.gz LHBNHVOWZJKLSI-QGZVFWFLSA-N 1 1 347.463 0.612 20 30 ECEDMO C=C(C)CN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)c2C1 ZINC001069882978 790148572 /nfs/dbraw/zinc/14/85/72/790148572.db2.gz LHBNHVOWZJKLSI-QGZVFWFLSA-N 1 1 347.463 0.612 20 30 ECEDMO C=C(C)CN1CCn2ncc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)c2C1 ZINC001069882977 790148610 /nfs/dbraw/zinc/14/86/10/790148610.db2.gz LHBNHVOWZJKLSI-KRWDZBQOSA-N 1 1 347.463 0.612 20 30 ECEDMO C=C(C)CN1CCn2ncc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)c2C1 ZINC001069882977 790148615 /nfs/dbraw/zinc/14/86/15/790148615.db2.gz LHBNHVOWZJKLSI-KRWDZBQOSA-N 1 1 347.463 0.612 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001069925159 790195897 /nfs/dbraw/zinc/19/58/97/790195897.db2.gz YUBBFCBBVZWKST-KFWWJZLASA-N 1 1 331.424 0.016 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2nn(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069924762 790195917 /nfs/dbraw/zinc/19/59/17/790195917.db2.gz DMNKACAJUYLHSE-KGLIPLIRSA-N 1 1 329.408 0.551 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069924762 790195923 /nfs/dbraw/zinc/19/59/23/790195923.db2.gz DMNKACAJUYLHSE-KGLIPLIRSA-N 1 1 329.408 0.551 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924772 790196046 /nfs/dbraw/zinc/19/60/46/790196046.db2.gz DXHALWKBBRQRAA-IKGGRYGDSA-N 1 1 344.463 0.516 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)C(F)F)CCOCC1 ZINC001069929854 790201757 /nfs/dbraw/zinc/20/17/57/790201757.db2.gz OGCCWNBMQDVAMT-LBPRGKRZSA-N 1 1 343.374 0.131 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)C(F)F)CCOCC1 ZINC001069929854 790201761 /nfs/dbraw/zinc/20/17/61/790201761.db2.gz OGCCWNBMQDVAMT-LBPRGKRZSA-N 1 1 343.374 0.131 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929770 790201871 /nfs/dbraw/zinc/20/18/71/790201871.db2.gz QFJKPJKKKCMBBL-FMKPAKJESA-N 1 1 343.435 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929770 790201874 /nfs/dbraw/zinc/20/18/74/790201874.db2.gz QFJKPJKKKCMBBL-FMKPAKJESA-N 1 1 343.435 0.733 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001069953547 790235026 /nfs/dbraw/zinc/23/50/26/790235026.db2.gz KIFHCKDKSSUWQQ-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001069953547 790235028 /nfs/dbraw/zinc/23/50/28/790235028.db2.gz KIFHCKDKSSUWQQ-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@@H](n2ccnn2)C1 ZINC001069959139 790241343 /nfs/dbraw/zinc/24/13/43/790241343.db2.gz FZNRRTFTICSEEY-PMPSAXMXSA-N 1 1 332.452 0.680 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959282 790241763 /nfs/dbraw/zinc/24/17/63/790241763.db2.gz NJHYTXITNRBGIU-OAGGEKHMSA-N 1 1 330.436 0.127 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001068853514 791268353 /nfs/dbraw/zinc/26/83/53/791268353.db2.gz OCQAWQYQSMASCK-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2 ZINC001068860577 791286293 /nfs/dbraw/zinc/28/62/93/791286293.db2.gz NLVOQAFZWQKIPB-HNNXBMFYSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001068863151 791294728 /nfs/dbraw/zinc/29/47/28/791294728.db2.gz QDIAKBKIRMUCGY-CVEARBPZSA-N 1 1 345.443 0.370 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2cncc(C#N)n2)C[C@H]1C ZINC001069174701 791758959 /nfs/dbraw/zinc/75/89/59/791758959.db2.gz CCMUQNKNDVMFME-DGCLKSJQSA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2nccnc2C#N)C[C@H]1C ZINC001069174643 791759051 /nfs/dbraw/zinc/75/90/51/791759051.db2.gz BJKORGIJBGILQL-YPMHNXCESA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001066675582 791968590 /nfs/dbraw/zinc/96/85/90/791968590.db2.gz NLCAEYFRKZZIMO-PBHICJAKSA-N 1 1 343.431 0.934 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3nccnc3C#N)C2)C1 ZINC001066675697 791968593 /nfs/dbraw/zinc/96/85/93/791968593.db2.gz QLYNWBLIQYJHCS-KGLIPLIRSA-N 1 1 344.419 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2nccc(C)n2)C1 ZINC001066690847 792000802 /nfs/dbraw/zinc/00/08/02/792000802.db2.gz YKFVPFDURJAZFF-HOTGVXAUSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2nccc(C)n2)C1 ZINC001066690847 792000804 /nfs/dbraw/zinc/00/08/04/792000804.db2.gz YKFVPFDURJAZFF-HOTGVXAUSA-N 1 1 343.431 0.522 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)CC2)C1 ZINC001066737143 792072660 /nfs/dbraw/zinc/07/26/60/792072660.db2.gz ZXDMFKCZQWOPRB-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)CC2)C1 ZINC001066737143 792072670 /nfs/dbraw/zinc/07/26/70/792072670.db2.gz ZXDMFKCZQWOPRB-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066749901 792095572 /nfs/dbraw/zinc/09/55/72/792095572.db2.gz COVJMVFQJVDUDD-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C1(COC)CC1 ZINC001067709455 792165143 /nfs/dbraw/zinc/16/51/43/792165143.db2.gz ZWWIRZXFHNQSPX-INIZCTEOSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C1(COC)CC1 ZINC001067709455 792165148 /nfs/dbraw/zinc/16/51/48/792165148.db2.gz ZWWIRZXFHNQSPX-INIZCTEOSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ccncn1 ZINC001067709292 792165609 /nfs/dbraw/zinc/16/56/09/792165609.db2.gz KKKGFNXEZOYBAY-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ccncn1 ZINC001067709292 792165619 /nfs/dbraw/zinc/16/56/19/792165619.db2.gz KKKGFNXEZOYBAY-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1cnc(C#N)cn1 ZINC001067762497 792244775 /nfs/dbraw/zinc/24/47/75/792244775.db2.gz BVYCKRPSUOERQC-ZFWWWQNUSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001067867041 792394437 /nfs/dbraw/zinc/39/44/37/792394437.db2.gz ZHAYMJBBWJBYJX-XYSPPFBYSA-N 1 1 348.447 0.316 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2ncccn2)C1 ZINC001066928330 792407819 /nfs/dbraw/zinc/40/78/19/792407819.db2.gz IAGGTICUCLOSNR-YJBOKZPZSA-N 1 1 343.431 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2ncccn2)C1 ZINC001066928330 792407822 /nfs/dbraw/zinc/40/78/22/792407822.db2.gz IAGGTICUCLOSNR-YJBOKZPZSA-N 1 1 343.431 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNc2ccncc2C#N)C1 ZINC001067897596 792440272 /nfs/dbraw/zinc/44/02/72/792440272.db2.gz FSGAMYYKTLDRHK-PVARCSIZSA-N 1 1 337.427 0.779 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNc2ccncc2C#N)C1 ZINC001067897596 792440278 /nfs/dbraw/zinc/44/02/78/792440278.db2.gz FSGAMYYKTLDRHK-PVARCSIZSA-N 1 1 337.427 0.779 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(CNc3ncccc3C#N)C2)O1 ZINC001067898953 792444667 /nfs/dbraw/zinc/44/46/67/792444667.db2.gz ANFVLRRVMQQMCL-FKFRUQKQSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(CNc3ncccc3C#N)C2)O1 ZINC001067898953 792444670 /nfs/dbraw/zinc/44/46/70/792444670.db2.gz ANFVLRRVMQQMCL-FKFRUQKQSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(CNc3nccnc3C#N)C2)O1 ZINC001067899048 792445487 /nfs/dbraw/zinc/44/54/87/792445487.db2.gz GHITYWCCBWNLAA-XZNOPERXSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(CNc3nccnc3C#N)C2)O1 ZINC001067899048 792445491 /nfs/dbraw/zinc/44/54/91/792445491.db2.gz GHITYWCCBWNLAA-XZNOPERXSA-N 1 1 344.419 0.374 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001067001179 792544252 /nfs/dbraw/zinc/54/42/52/792544252.db2.gz PGLDRYUPZOBQFI-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001067081407 792678715 /nfs/dbraw/zinc/67/87/15/792678715.db2.gz NLOCCVBFOVEKDT-CABCVRRESA-N 1 1 341.452 0.215 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001067081407 792678719 /nfs/dbraw/zinc/67/87/19/792678719.db2.gz NLOCCVBFOVEKDT-CABCVRRESA-N 1 1 341.452 0.215 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)CC[N@H+]1C ZINC001068207140 792827831 /nfs/dbraw/zinc/82/78/31/792827831.db2.gz JPHWBIIOTGQFGA-BTAUDXDXSA-N 1 1 340.431 0.487 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC001068209216 792831633 /nfs/dbraw/zinc/83/16/33/792831633.db2.gz VAFQCFNJGNWNAH-FJIDUMEYSA-N 1 1 349.438 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC001068209216 792831641 /nfs/dbraw/zinc/83/16/41/792831641.db2.gz VAFQCFNJGNWNAH-FJIDUMEYSA-N 1 1 349.438 0.849 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3ccnc(C#N)n3)CC2)C1 ZINC001067247392 792883727 /nfs/dbraw/zinc/88/37/27/792883727.db2.gz AUHKOVARAWVIAU-ZDUSSCGKSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3ccnc(C#N)n3)CC2)C1 ZINC001067247392 792883740 /nfs/dbraw/zinc/88/37/40/792883740.db2.gz AUHKOVARAWVIAU-ZDUSSCGKSA-N 1 1 344.419 0.472 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001067292655 792945869 /nfs/dbraw/zinc/94/58/69/792945869.db2.gz SYZKTGYNRRLANI-YJBOKZPZSA-N 1 1 339.480 0.962 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1C ZINC001067400392 793100455 /nfs/dbraw/zinc/10/04/55/793100455.db2.gz CLBQZXUVBFQWNU-JSGCOSHPSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001068357059 793118965 /nfs/dbraw/zinc/11/89/65/793118965.db2.gz OVSXJITURJOODA-OAHLLOKOSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)C[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001068416432 793270560 /nfs/dbraw/zinc/27/05/60/793270560.db2.gz NPNVNCDJBMHMFG-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001267491000 837556276 /nfs/dbraw/zinc/55/62/76/837556276.db2.gz YBRZESQYFOEQHN-DGCLKSJQSA-N 1 1 348.451 0.634 20 30 ECEDMO C#CCC[N@H+](CCCNC(=O)Cn1nc2ccccn2c1=O)C(C)C ZINC001267505122 837590116 /nfs/dbraw/zinc/59/01/16/837590116.db2.gz KDYJODBRHMEJBV-UHFFFAOYSA-N 1 1 343.431 0.736 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cccc(C)n2)C1 ZINC001267509353 837597838 /nfs/dbraw/zinc/59/78/38/837597838.db2.gz RPOWZEDHFKTNTR-HOTGVXAUSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)C(=O)C(C)(C)C)C1 ZINC001267513148 837605075 /nfs/dbraw/zinc/60/50/75/837605075.db2.gz DRPNAYIOQGCVAT-UONOGXRCSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cn(C)nc2C)C1 ZINC001267514087 837606818 /nfs/dbraw/zinc/60/68/18/837606818.db2.gz RIGFUJRKZAUZFN-CQSZACIVSA-N 1 1 333.436 0.473 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2nnc(C)o2)C1 ZINC001267524686 837687330 /nfs/dbraw/zinc/68/73/30/837687330.db2.gz VOASIEYAIPQJMW-TZMCWYRMSA-N 1 1 349.435 0.439 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001267535664 837712515 /nfs/dbraw/zinc/71/25/15/837712515.db2.gz CONPUEHGUUQUBM-CVEARBPZSA-N 1 1 334.464 0.048 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001267536328 837715657 /nfs/dbraw/zinc/71/56/57/837715657.db2.gz QWUXHEJOTHDKDV-NEPJUHHUSA-N 1 1 328.363 0.500 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)C2CC(OCC)C2)C1 ZINC001267539869 837724266 /nfs/dbraw/zinc/72/42/66/837724266.db2.gz KRFGQQPGRWQVFS-CGZBRXJRSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)C2CC(OCC)C2)C1 ZINC001267539869 837724271 /nfs/dbraw/zinc/72/42/71/837724271.db2.gz KRFGQQPGRWQVFS-CGZBRXJRSA-N 1 1 349.475 0.864 20 30 ECEDMO CCCN(C(=O)C#CC(C)C)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267541431 837728249 /nfs/dbraw/zinc/72/82/49/837728249.db2.gz AQMIFWYWBMJMSF-KGLIPLIRSA-N 1 1 336.436 0.542 20 30 ECEDMO CCCN(C(=O)C#CC(C)C)[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267541431 837728256 /nfs/dbraw/zinc/72/82/56/837728256.db2.gz AQMIFWYWBMJMSF-KGLIPLIRSA-N 1 1 336.436 0.542 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2cnn3cccnc23)C1 ZINC001267551144 837751251 /nfs/dbraw/zinc/75/12/51/837751251.db2.gz AKVRAZFNMPQGRP-HNNXBMFYSA-N 1 1 341.415 0.821 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ncccc2C)C1 ZINC001267553658 837758311 /nfs/dbraw/zinc/75/83/11/837758311.db2.gz KVVYZNKKNBRKFE-CVEARBPZSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ncccc2C)C1 ZINC001267553660 837758754 /nfs/dbraw/zinc/75/87/54/837758754.db2.gz KVVYZNKKNBRKFE-HZPDHXFCSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001267561583 837772600 /nfs/dbraw/zinc/77/26/00/837772600.db2.gz GMOFOSFERUYPAT-NEPJUHHUSA-N 1 1 333.354 0.762 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)CCn2cnccc2=O)C1 ZINC001267568193 837788845 /nfs/dbraw/zinc/78/88/45/837788845.db2.gz HLZOTVATGHQPGT-MRXNPFEDSA-N 1 1 346.431 0.111 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)CN2CCCCCC2=O)CC1 ZINC001267576146 837830894 /nfs/dbraw/zinc/83/08/94/837830894.db2.gz SKUJJMRSWRTBJB-UHFFFAOYSA-N 1 1 348.491 0.488 20 30 ECEDMO CC#CCN1CC[NH+](CCN(C)C(=O)CN2CCCCCC2=O)CC1 ZINC001267576146 837830899 /nfs/dbraw/zinc/83/08/99/837830899.db2.gz SKUJJMRSWRTBJB-UHFFFAOYSA-N 1 1 348.491 0.488 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001267577074 837833309 /nfs/dbraw/zinc/83/33/09/837833309.db2.gz FXQWPOXOSYGXFS-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001266248774 835554152 /nfs/dbraw/zinc/55/41/52/835554152.db2.gz QMDYDXCXJDRABV-UKRRQHHQSA-N 1 1 327.450 0.062 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc[nH]c1CC ZINC001266272211 835594281 /nfs/dbraw/zinc/59/42/81/835594281.db2.gz SGJFVHIALYFXNP-GFCCVEGCSA-N 1 1 349.435 0.639 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc[nH]c1CC ZINC001266272211 835594285 /nfs/dbraw/zinc/59/42/85/835594285.db2.gz SGJFVHIALYFXNP-GFCCVEGCSA-N 1 1 349.435 0.639 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)COc2ccccc2OCC)CC1 ZINC001266297435 835646801 /nfs/dbraw/zinc/64/68/01/835646801.db2.gz QSJCCDXBQXCSII-UHFFFAOYSA-N 1 1 345.443 0.831 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001266301754 835661829 /nfs/dbraw/zinc/66/18/29/835661829.db2.gz BNTOPSXBWOVPNN-HNNXBMFYSA-N 1 1 331.420 0.274 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001266301754 835661830 /nfs/dbraw/zinc/66/18/30/835661830.db2.gz BNTOPSXBWOVPNN-HNNXBMFYSA-N 1 1 331.420 0.274 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001266313594 835680018 /nfs/dbraw/zinc/68/00/18/835680018.db2.gz MNHZVHKPZGHORS-CYBMUJFWSA-N 1 1 349.435 0.245 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001266313594 835680023 /nfs/dbraw/zinc/68/00/23/835680023.db2.gz MNHZVHKPZGHORS-CYBMUJFWSA-N 1 1 349.435 0.245 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001266314345 835681666 /nfs/dbraw/zinc/68/16/66/835681666.db2.gz WRVSRSTVRMBKDZ-ZIAGYGMSSA-N 1 1 347.463 0.264 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001266314345 835681671 /nfs/dbraw/zinc/68/16/71/835681671.db2.gz WRVSRSTVRMBKDZ-ZIAGYGMSSA-N 1 1 347.463 0.264 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001266317905 835686476 /nfs/dbraw/zinc/68/64/76/835686476.db2.gz WEATUUBVNSHOJG-AWEZNQCLSA-N 1 1 327.450 0.016 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001266317905 835686482 /nfs/dbraw/zinc/68/64/82/835686482.db2.gz WEATUUBVNSHOJG-AWEZNQCLSA-N 1 1 327.450 0.016 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001266320886 835693051 /nfs/dbraw/zinc/69/30/51/835693051.db2.gz IBGOHUPVPKWLAI-QWHCGFSZSA-N 1 1 331.420 0.324 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001266320886 835693055 /nfs/dbraw/zinc/69/30/55/835693055.db2.gz IBGOHUPVPKWLAI-QWHCGFSZSA-N 1 1 331.420 0.324 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cn(C)nc2Cl)C1=O ZINC001266347780 835740594 /nfs/dbraw/zinc/74/05/94/835740594.db2.gz RDUXFVQQPNZUID-GFCCVEGCSA-N 1 1 339.827 0.522 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cn(C)nc2Cl)C1=O ZINC001266347780 835740604 /nfs/dbraw/zinc/74/06/04/835740604.db2.gz RDUXFVQQPNZUID-GFCCVEGCSA-N 1 1 339.827 0.522 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccc(C)c(C)c1 ZINC001266354858 835757782 /nfs/dbraw/zinc/75/77/82/835757782.db2.gz QFDKCSAHTAZDQK-UHFFFAOYSA-N 1 1 346.431 0.977 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C)c(C)c1 ZINC001266354858 835757789 /nfs/dbraw/zinc/75/77/89/835757789.db2.gz QFDKCSAHTAZDQK-UHFFFAOYSA-N 1 1 346.431 0.977 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cccnc2N(C)C)C1=O ZINC001266358345 835764658 /nfs/dbraw/zinc/76/46/58/835764658.db2.gz RCIBAFAZTAPVLB-OAHLLOKOSA-N 1 1 345.447 0.596 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cccnc2N(C)C)C1=O ZINC001266358345 835764663 /nfs/dbraw/zinc/76/46/63/835764663.db2.gz RCIBAFAZTAPVLB-OAHLLOKOSA-N 1 1 345.447 0.596 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCC[N@@H+](C)Cc1cnn(C)c1 ZINC001266362766 835773976 /nfs/dbraw/zinc/77/39/76/835773976.db2.gz TYYUGIJKEJKVBI-UHFFFAOYSA-N 1 1 336.440 0.232 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCC[N@H+](C)Cc1cnn(C)c1 ZINC001266362766 835773984 /nfs/dbraw/zinc/77/39/84/835773984.db2.gz TYYUGIJKEJKVBI-UHFFFAOYSA-N 1 1 336.440 0.232 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](OC)c1ccc(F)cc1 ZINC001266365046 835776910 /nfs/dbraw/zinc/77/69/10/835776910.db2.gz KZTTYFBTYQWLAY-CZUORRHYSA-N 1 1 349.406 0.699 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H](OC)c1ccc(F)cc1 ZINC001266365046 835776914 /nfs/dbraw/zinc/77/69/14/835776914.db2.gz KZTTYFBTYQWLAY-CZUORRHYSA-N 1 1 349.406 0.699 20 30 ECEDMO COC1(CC(=O)N[C@@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)CCC1 ZINC001266370199 835782657 /nfs/dbraw/zinc/78/26/57/835782657.db2.gz ADKZOPFCKFWZHP-CQSZACIVSA-N 1 1 348.447 0.556 20 30 ECEDMO C=CCNC(=O)CN1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001266374417 835787242 /nfs/dbraw/zinc/78/72/42/835787242.db2.gz YGPLUOPFTPBHHX-CABCVRRESA-N 1 1 336.480 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)[C@@H](C)c1nc(C)no1 ZINC001266394184 835801926 /nfs/dbraw/zinc/80/19/26/835801926.db2.gz JXSARQVCTQNMNF-ZFWWWQNUSA-N 1 1 333.436 0.975 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)[C@@H](C)c1nc(C)no1 ZINC001266394184 835801936 /nfs/dbraw/zinc/80/19/36/835801936.db2.gz JXSARQVCTQNMNF-ZFWWWQNUSA-N 1 1 333.436 0.975 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001266422870 835827140 /nfs/dbraw/zinc/82/71/40/835827140.db2.gz SYMXDCXCFODNPC-LBPRGKRZSA-N 1 1 333.436 0.318 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001266422870 835827146 /nfs/dbraw/zinc/82/71/46/835827146.db2.gz SYMXDCXCFODNPC-LBPRGKRZSA-N 1 1 333.436 0.318 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1c2c(nn1C)CCC2 ZINC001266427994 835831482 /nfs/dbraw/zinc/83/14/82/835831482.db2.gz HUSZWPYIASADDI-CYBMUJFWSA-N 1 1 347.463 0.651 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1c2c(nn1C)CCC2 ZINC001266427994 835831489 /nfs/dbraw/zinc/83/14/89/835831489.db2.gz HUSZWPYIASADDI-CYBMUJFWSA-N 1 1 347.463 0.651 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 ZINC001266452923 835856387 /nfs/dbraw/zinc/85/63/87/835856387.db2.gz TYDIOSVNWVNXGP-CABCVRRESA-N 1 1 336.436 0.366 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001266455787 835858269 /nfs/dbraw/zinc/85/82/69/835858269.db2.gz LEKBKULDVZWCMZ-LSDHHAIUSA-N 1 1 333.432 0.621 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001266457884 835860850 /nfs/dbraw/zinc/86/08/50/835860850.db2.gz OEEJBFGXDJNAED-GXTWGEPZSA-N 1 1 332.379 0.553 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001266457884 835860859 /nfs/dbraw/zinc/86/08/59/835860859.db2.gz OEEJBFGXDJNAED-GXTWGEPZSA-N 1 1 332.379 0.553 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)COc1cc(C)on1 ZINC001266468793 835871823 /nfs/dbraw/zinc/87/18/23/835871823.db2.gz YFZZVODWOCVAJL-ZDUSSCGKSA-N 1 1 336.392 0.245 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)COc1cc(C)on1 ZINC001266468793 835871827 /nfs/dbraw/zinc/87/18/27/835871827.db2.gz YFZZVODWOCVAJL-ZDUSSCGKSA-N 1 1 336.392 0.245 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001266470768 835873417 /nfs/dbraw/zinc/87/34/17/835873417.db2.gz AGJSJKSYZHOYGN-DAYGRLMNSA-N 1 1 333.432 0.276 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001266470768 835873425 /nfs/dbraw/zinc/87/34/25/835873425.db2.gz AGJSJKSYZHOYGN-DAYGRLMNSA-N 1 1 333.432 0.276 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc2n[nH]nc21 ZINC001266471310 835874489 /nfs/dbraw/zinc/87/44/89/835874489.db2.gz MKXGRIXVVFFJQK-GFCCVEGCSA-N 1 1 328.376 0.197 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc2n[nH]nc21 ZINC001266471310 835874494 /nfs/dbraw/zinc/87/44/94/835874494.db2.gz MKXGRIXVVFFJQK-GFCCVEGCSA-N 1 1 328.376 0.197 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001266477532 835878655 /nfs/dbraw/zinc/87/86/55/835878655.db2.gz RBHKGELYWWAHOK-LISAXSMJSA-N 1 1 347.459 0.660 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001266477532 835878658 /nfs/dbraw/zinc/87/86/58/835878658.db2.gz RBHKGELYWWAHOK-LISAXSMJSA-N 1 1 347.459 0.660 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1CCC(OC)CC1 ZINC001266477291 835878757 /nfs/dbraw/zinc/87/87/57/835878757.db2.gz NAQZVYCDWNCWCJ-PCKAHOCUSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCC(OC)CC1 ZINC001266477291 835878762 /nfs/dbraw/zinc/87/87/62/835878762.db2.gz NAQZVYCDWNCWCJ-PCKAHOCUSA-N 1 1 335.448 0.522 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001266482955 835882994 /nfs/dbraw/zinc/88/29/94/835882994.db2.gz LGTVUGPQTSIMDK-STQMWFEESA-N 1 1 336.436 0.767 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001266482955 835883003 /nfs/dbraw/zinc/88/30/03/835883003.db2.gz LGTVUGPQTSIMDK-STQMWFEESA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncccn1 ZINC001266486933 835886770 /nfs/dbraw/zinc/88/67/70/835886770.db2.gz SHUNVECLVRQBQT-OAHLLOKOSA-N 1 1 343.431 0.871 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncccn1 ZINC001266486933 835886774 /nfs/dbraw/zinc/88/67/74/835886774.db2.gz SHUNVECLVRQBQT-OAHLLOKOSA-N 1 1 343.431 0.871 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1cccnc1 ZINC001266488219 835887446 /nfs/dbraw/zinc/88/74/46/835887446.db2.gz FETMHYFNAYNNAK-ZBFHGGJFSA-N 1 1 328.416 0.515 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1cccnc1 ZINC001266488219 835887455 /nfs/dbraw/zinc/88/74/55/835887455.db2.gz FETMHYFNAYNNAK-ZBFHGGJFSA-N 1 1 328.416 0.515 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001266489239 835888917 /nfs/dbraw/zinc/88/89/17/835888917.db2.gz ZAMMPIXXVRPXNO-CQSZACIVSA-N 1 1 333.436 0.538 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)NCC=C)nc1 ZINC001266489091 835889424 /nfs/dbraw/zinc/88/94/24/835889424.db2.gz WHFFRTOFCZWXNV-GOEBONIOSA-N 1 1 340.427 0.948 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)NCC=C)nc1 ZINC001266489091 835889429 /nfs/dbraw/zinc/88/94/29/835889429.db2.gz WHFFRTOFCZWXNV-GOEBONIOSA-N 1 1 340.427 0.948 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001266495213 835894627 /nfs/dbraw/zinc/89/46/27/835894627.db2.gz IZJDBIISMDVRAK-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001266505468 835906917 /nfs/dbraw/zinc/90/69/17/835906917.db2.gz KYAZGTWCWUGISX-ZBFHGGJFSA-N 1 1 345.447 0.930 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001266505468 835906929 /nfs/dbraw/zinc/90/69/29/835906929.db2.gz KYAZGTWCWUGISX-ZBFHGGJFSA-N 1 1 345.447 0.930 20 30 ECEDMO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001266511963 835920462 /nfs/dbraw/zinc/92/04/62/835920462.db2.gz VLESPCAGJVCWNZ-ZFWWWQNUSA-N 1 1 341.415 0.655 20 30 ECEDMO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001266511963 835920469 /nfs/dbraw/zinc/92/04/69/835920469.db2.gz VLESPCAGJVCWNZ-ZFWWWQNUSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2c(C)nn(C)c2OC)C1 ZINC001266537064 835955809 /nfs/dbraw/zinc/95/58/09/835955809.db2.gz DDUTVRSAWUHUSP-ZDUSSCGKSA-N 1 1 349.435 0.091 20 30 ECEDMO Cc1ccc(C)c(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001266545781 835967475 /nfs/dbraw/zinc/96/74/75/835967475.db2.gz QUEVSXBYFQGRFS-OAHLLOKOSA-N 1 1 328.416 0.995 20 30 ECEDMO Cc1ccc(C)c(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001266545781 835967483 /nfs/dbraw/zinc/96/74/83/835967483.db2.gz QUEVSXBYFQGRFS-OAHLLOKOSA-N 1 1 328.416 0.995 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](OC)C2CCCC2)C1 ZINC001266546783 835968270 /nfs/dbraw/zinc/96/82/70/835968270.db2.gz XCCMHEAPAVGLEO-RHSMWYFYSA-N 1 1 335.448 0.379 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2conc2COC)C1 ZINC001266546797 835968811 /nfs/dbraw/zinc/96/88/11/835968811.db2.gz XJHXCCJNLXJQBL-OLZOCXBDSA-N 1 1 348.403 0.011 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)c1c(C)ccn1C ZINC001266558944 835986782 /nfs/dbraw/zinc/98/67/82/835986782.db2.gz WLIBHUWGTRGYSD-HNNXBMFYSA-N 1 1 332.448 0.913 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1csc(Cl)n1 ZINC001266575508 836005908 /nfs/dbraw/zinc/00/59/08/836005908.db2.gz RAESTBMOOBICIH-UHFFFAOYSA-N 1 1 342.852 0.988 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1csc(Cl)n1 ZINC001266575508 836005918 /nfs/dbraw/zinc/00/59/18/836005918.db2.gz RAESTBMOOBICIH-UHFFFAOYSA-N 1 1 342.852 0.988 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(C)nc(C)c1)C1CC1 ZINC001266594781 836025677 /nfs/dbraw/zinc/02/56/77/836025677.db2.gz RPWLYDXQIBTKGS-UHFFFAOYSA-N 1 1 328.416 0.642 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cc(C)nc(C)c1)C1CC1 ZINC001266594781 836025689 /nfs/dbraw/zinc/02/56/89/836025689.db2.gz RPWLYDXQIBTKGS-UHFFFAOYSA-N 1 1 328.416 0.642 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)c1ccnc2ccnn21)C1CC1 ZINC001266594148 836026717 /nfs/dbraw/zinc/02/67/17/836026717.db2.gz GXBMMMGDBHPFBK-UHFFFAOYSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@H]1OCC[C@H]1CC)C1CC1 ZINC001266596591 836029697 /nfs/dbraw/zinc/02/96/97/836029697.db2.gz KFIOSAZSWZFUJM-FMKPAKJESA-N 1 1 335.448 0.520 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@H]1OCC[C@H]1CC)C1CC1 ZINC001266596591 836029710 /nfs/dbraw/zinc/02/97/10/836029710.db2.gz KFIOSAZSWZFUJM-FMKPAKJESA-N 1 1 335.448 0.520 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cccnc1C1CC1)C1CC1 ZINC001266600201 836033844 /nfs/dbraw/zinc/03/38/44/836033844.db2.gz MXMIZXJEACHEQR-UHFFFAOYSA-N 1 1 340.427 0.903 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cccnc1C1CC1)C1CC1 ZINC001266600201 836033858 /nfs/dbraw/zinc/03/38/58/836033858.db2.gz MXMIZXJEACHEQR-UHFFFAOYSA-N 1 1 340.427 0.903 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](C2CC2)[C@H]2CCCN(C)C2=O)nc1 ZINC001266617284 836051349 /nfs/dbraw/zinc/05/13/49/836051349.db2.gz CUKKTFKEJZLSRE-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](C2CC2)[C@H]2CCCN(C)C2=O)nc1 ZINC001266617284 836051362 /nfs/dbraw/zinc/05/13/62/836051362.db2.gz CUKKTFKEJZLSRE-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO Cn1cccc1C(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266656594 836093719 /nfs/dbraw/zinc/09/37/19/836093719.db2.gz YKXRXIBITJAXMM-LSDHHAIUSA-N 1 1 343.431 0.591 20 30 ECEDMO Cn1cccc1C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266656594 836093731 /nfs/dbraw/zinc/09/37/31/836093731.db2.gz YKXRXIBITJAXMM-LSDHHAIUSA-N 1 1 343.431 0.591 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2[nH]ccc2C)C1 ZINC001266658887 836095061 /nfs/dbraw/zinc/09/50/61/836095061.db2.gz JSVJKZZCBOQYHY-CVEARBPZSA-N 1 1 342.443 0.999 20 30 ECEDMO C[C@@](O)(CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001266746804 836232642 /nfs/dbraw/zinc/23/26/42/836232642.db2.gz JJSHKHQIQQQNDZ-SUMWQHHRSA-N 1 1 336.436 0.005 20 30 ECEDMO C[C@@](O)(CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001266746804 836232649 /nfs/dbraw/zinc/23/26/49/836232649.db2.gz JJSHKHQIQQQNDZ-SUMWQHHRSA-N 1 1 336.436 0.005 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCc2ccoc2)C1 ZINC001266747909 836235014 /nfs/dbraw/zinc/23/50/14/836235014.db2.gz ZCBUFKHENSOWBW-MRXNPFEDSA-N 1 1 331.416 0.790 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001266747813 836235464 /nfs/dbraw/zinc/23/54/64/836235464.db2.gz XNLXMXDEIRUPGT-GJZGRUSLSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCN(CC=C)C2=O)C1 ZINC001266749258 836237163 /nfs/dbraw/zinc/23/71/63/836237163.db2.gz GHNPUVJXRPDHGW-IAGOWNOFSA-N 1 1 347.459 0.641 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001266751186 836241946 /nfs/dbraw/zinc/24/19/46/836241946.db2.gz CTJBHCQKANZHGE-HZPDHXFCSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001266751186 836241955 /nfs/dbraw/zinc/24/19/55/836241955.db2.gz CTJBHCQKANZHGE-HZPDHXFCSA-N 1 1 336.480 0.601 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccns2)C1 ZINC001266752082 836244693 /nfs/dbraw/zinc/24/46/93/836244693.db2.gz NTTUEZDJKVGXTJ-STQMWFEESA-N 1 1 334.445 0.723 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001266758257 836254903 /nfs/dbraw/zinc/25/49/03/836254903.db2.gz PNHQEUMTNGQNFF-ALYAQQCSSA-N 1 1 331.460 0.999 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001266758122 836255352 /nfs/dbraw/zinc/25/53/52/836255352.db2.gz NZUZNKOXKNSEKA-ZVDSWSACSA-N 1 1 335.448 0.398 20 30 ECEDMO CN(CC[NH2+]Cc1ccccc1C#N)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001266765383 836270349 /nfs/dbraw/zinc/27/03/49/836270349.db2.gz YIRYOKIBLVFMAV-CQSZACIVSA-N 1 1 349.456 0.931 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001266766944 836272454 /nfs/dbraw/zinc/27/24/54/836272454.db2.gz JNAXJMDAYMFAGF-OAHLLOKOSA-N 1 1 347.463 0.785 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001266891370 836440307 /nfs/dbraw/zinc/44/03/07/836440307.db2.gz ORTHQCWONTUKGO-JSGCOSHPSA-N 1 1 334.420 0.904 20 30 ECEDMO C[C@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@H+](CCS(C)(=O)=O)C1 ZINC001266891648 836441381 /nfs/dbraw/zinc/44/13/81/836441381.db2.gz QDPQVJAGOKPVKQ-ZFWWWQNUSA-N 1 1 326.462 0.661 20 30 ECEDMO C[C@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@@H+](CCS(C)(=O)=O)C1 ZINC001266891648 836441386 /nfs/dbraw/zinc/44/13/86/836441386.db2.gz QDPQVJAGOKPVKQ-ZFWWWQNUSA-N 1 1 326.462 0.661 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2nnc[nH]2)C1 ZINC001266893419 836443563 /nfs/dbraw/zinc/44/35/63/836443563.db2.gz QSADFVJFYJNZMN-GJZGRUSLSA-N 1 1 333.436 0.604 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2nc[nH]n2)C1 ZINC001266893419 836443570 /nfs/dbraw/zinc/44/35/70/836443570.db2.gz QSADFVJFYJNZMN-GJZGRUSLSA-N 1 1 333.436 0.604 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2nc[nH]n2)C1 ZINC001266893419 836443573 /nfs/dbraw/zinc/44/35/73/836443573.db2.gz QSADFVJFYJNZMN-GJZGRUSLSA-N 1 1 333.436 0.604 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2ccnc2)C1 ZINC001266897730 836449413 /nfs/dbraw/zinc/44/94/13/836449413.db2.gz PQRIBNNMFSKUJG-LSDHHAIUSA-N 1 1 333.436 0.402 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2nonc2C)C1 ZINC001266898267 836450115 /nfs/dbraw/zinc/45/01/15/836450115.db2.gz UICFEUDDVJVZHH-UKRRQHHQSA-N 1 1 334.420 0.787 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)N3CCCCC3)C[C@H]21 ZINC001266900798 836453595 /nfs/dbraw/zinc/45/35/95/836453595.db2.gz HONJAQOVMAVPDT-DHBZOUTCSA-N 1 1 349.475 0.761 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC12CCOCC2 ZINC001266906127 836463824 /nfs/dbraw/zinc/46/38/24/836463824.db2.gz WHRIUIREPZGQLE-AALSBFMBSA-N 1 1 347.459 0.540 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)COCC1CC1 ZINC001279540044 836478062 /nfs/dbraw/zinc/47/80/62/836478062.db2.gz GBIKVTQGNNKYOW-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)COCC1CC1 ZINC001279540044 836478066 /nfs/dbraw/zinc/47/80/66/836478066.db2.gz GBIKVTQGNNKYOW-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2nnc3n2CCOC3)cn1 ZINC001266984451 836565640 /nfs/dbraw/zinc/56/56/40/836565640.db2.gz BOEMDJCHWWDJGJ-GFCCVEGCSA-N 1 1 340.387 0.093 20 30 ECEDMO C[C@H](CNC(=O)CC#Cc1ccccc1)[NH2+][C@@H](C)c1nnnn1C ZINC001266996849 836582430 /nfs/dbraw/zinc/58/24/30/836582430.db2.gz JUFYBINRZYBTLO-KGLIPLIRSA-N 1 1 326.404 0.807 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nocc2C)C1 ZINC001267026554 836647132 /nfs/dbraw/zinc/64/71/32/836647132.db2.gz PSJOQQFACKOOHK-ZDUSSCGKSA-N 1 1 349.435 0.937 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001267086922 836735491 /nfs/dbraw/zinc/73/54/91/836735491.db2.gz CFWKRHYFASMSRQ-ZIAGYGMSSA-N 1 1 346.435 0.636 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001267086922 836735498 /nfs/dbraw/zinc/73/54/98/836735498.db2.gz CFWKRHYFASMSRQ-ZIAGYGMSSA-N 1 1 346.435 0.636 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@H]([N@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001267103064 836776515 /nfs/dbraw/zinc/77/65/15/836776515.db2.gz RQYOTBTZDIYIEJ-CABCVRRESA-N 1 1 333.432 0.908 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CCOCC2CC2)C1 ZINC001267106012 836786858 /nfs/dbraw/zinc/78/68/58/836786858.db2.gz NYMIKQXFZZCYLK-DOTOQJQBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccnn2CC)C1 ZINC001267106754 836787554 /nfs/dbraw/zinc/78/75/54/836787554.db2.gz VTYBLPKPIQUGHP-AWEZNQCLSA-N 1 1 331.420 0.189 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccnn2CC)C1 ZINC001267106754 836787560 /nfs/dbraw/zinc/78/75/60/836787560.db2.gz VTYBLPKPIQUGHP-AWEZNQCLSA-N 1 1 331.420 0.189 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CCCN2CCCC2=O)C1 ZINC001267106517 836787658 /nfs/dbraw/zinc/78/76/58/836787658.db2.gz QYPOHOWGEJCGSB-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC[C@H]([N@@H+](C)CCNC(=O)C2CC2)C1 ZINC001267106631 836787808 /nfs/dbraw/zinc/78/78/08/836787808.db2.gz SLPKPFAYODIHKR-YJBOKZPZSA-N 1 1 337.464 0.763 20 30 ECEDMO COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001267107176 836789303 /nfs/dbraw/zinc/78/93/03/836789303.db2.gz CKPYIZLZYQGTGQ-HNNXBMFYSA-N 1 1 349.431 0.098 20 30 ECEDMO COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001267107177 836789400 /nfs/dbraw/zinc/78/94/00/836789400.db2.gz CKPYIZLZYQGTGQ-OAHLLOKOSA-N 1 1 349.431 0.098 20 30 ECEDMO COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnn3cccnc23)C1 ZINC001267108089 836790806 /nfs/dbraw/zinc/79/08/06/836790806.db2.gz JVFRBCSKTAINDF-OAHLLOKOSA-N 1 1 341.415 0.916 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2cnoc2CC)C1 ZINC001267111740 836797238 /nfs/dbraw/zinc/79/72/38/836797238.db2.gz LSPWMZNHISUPJL-KGLIPLIRSA-N 1 1 346.431 0.911 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCCO1 ZINC001267166546 836889741 /nfs/dbraw/zinc/88/97/41/836889741.db2.gz ZCPOUCKFNJFVHD-GJZGRUSLSA-N 1 1 336.436 0.556 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001267170910 836903451 /nfs/dbraw/zinc/90/34/51/836903451.db2.gz URWCDAVLWRWFFK-AWEZNQCLSA-N 1 1 334.420 0.886 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2c(C3CC3)cnn2C)C1=O ZINC001267199854 836971776 /nfs/dbraw/zinc/97/17/76/836971776.db2.gz XTKKKNPFXDQYHX-OAHLLOKOSA-N 1 1 345.447 0.746 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2c(C3CC3)cnn2C)C1=O ZINC001267199854 836971784 /nfs/dbraw/zinc/97/17/84/836971784.db2.gz XTKKKNPFXDQYHX-OAHLLOKOSA-N 1 1 345.447 0.746 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001267210347 836995493 /nfs/dbraw/zinc/99/54/93/836995493.db2.gz CZXFBVZYOLAHIR-UONOGXRCSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001267210347 836995499 /nfs/dbraw/zinc/99/54/99/836995499.db2.gz CZXFBVZYOLAHIR-UONOGXRCSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001267209606 836996386 /nfs/dbraw/zinc/99/63/86/836996386.db2.gz FYOSGHMETAYUQW-CVEARBPZSA-N 1 1 325.453 0.490 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(CC)CC)c1 ZINC001267214835 837004878 /nfs/dbraw/zinc/00/48/78/837004878.db2.gz FQYIHYIDMZURBU-AWEZNQCLSA-N 1 1 330.432 0.981 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(CC)CC)c1 ZINC001267214835 837004884 /nfs/dbraw/zinc/00/48/84/837004884.db2.gz FQYIHYIDMZURBU-AWEZNQCLSA-N 1 1 330.432 0.981 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C1CCC=CCC1 ZINC001267230644 837033366 /nfs/dbraw/zinc/03/33/66/837033366.db2.gz WXLWFWMSZBCWSA-UHFFFAOYSA-N 1 1 336.436 0.793 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C1CCC=CCC1 ZINC001267230644 837033374 /nfs/dbraw/zinc/03/33/74/837033374.db2.gz WXLWFWMSZBCWSA-UHFFFAOYSA-N 1 1 336.436 0.793 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1ccn(C(C)(C)C)n1 ZINC001267242488 837052060 /nfs/dbraw/zinc/05/20/60/837052060.db2.gz NWPBTZORICXXNX-UHFFFAOYSA-N 1 1 335.452 0.992 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ccn(C(C)(C)C)n1 ZINC001267242488 837052070 /nfs/dbraw/zinc/05/20/70/837052070.db2.gz NWPBTZORICXXNX-UHFFFAOYSA-N 1 1 335.452 0.992 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1nncc2ccccc21 ZINC001267245246 837060102 /nfs/dbraw/zinc/06/01/02/837060102.db2.gz ZEHGESSVZRTIQR-UHFFFAOYSA-N 1 1 341.415 0.984 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1nncc2ccccc21 ZINC001267245246 837060112 /nfs/dbraw/zinc/06/01/12/837060112.db2.gz ZEHGESSVZRTIQR-UHFFFAOYSA-N 1 1 341.415 0.984 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001267267145 837105082 /nfs/dbraw/zinc/10/50/82/837105082.db2.gz LPUOWXGJSNGNCP-RDJZCZTQSA-N 1 1 349.475 0.912 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001267278250 837122400 /nfs/dbraw/zinc/12/24/00/837122400.db2.gz HMQYDJATUSCAKM-AWEZNQCLSA-N 1 1 343.387 0.279 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001267285151 837135773 /nfs/dbraw/zinc/13/57/73/837135773.db2.gz CPXHECOLQVSASP-KGLIPLIRSA-N 1 1 332.404 0.062 20 30 ECEDMO COCCOC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001267292629 837148161 /nfs/dbraw/zinc/14/81/61/837148161.db2.gz DDRWPTTXKADEJF-HOTGVXAUSA-N 1 1 340.464 0.498 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc(C)nc(C)c2)C1 ZINC001267295278 837151350 /nfs/dbraw/zinc/15/13/50/837151350.db2.gz SRJGGWSNRFLANR-OAHLLOKOSA-N 1 1 328.416 0.500 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267296962 837156467 /nfs/dbraw/zinc/15/64/67/837156467.db2.gz YOWZNSAYIALQPR-KBPBESRZSA-N 1 1 347.463 0.643 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267296994 837156897 /nfs/dbraw/zinc/15/68/97/837156897.db2.gz YYWKYLPDOLMUAT-HZPDHXFCSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267296994 837156899 /nfs/dbraw/zinc/15/68/99/837156899.db2.gz YYWKYLPDOLMUAT-HZPDHXFCSA-N 1 1 336.480 0.601 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001267298232 837159896 /nfs/dbraw/zinc/15/98/96/837159896.db2.gz LOTZFFHIGMRZAJ-PBHICJAKSA-N 1 1 335.452 0.982 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001267298232 837159901 /nfs/dbraw/zinc/15/99/01/837159901.db2.gz LOTZFFHIGMRZAJ-PBHICJAKSA-N 1 1 335.452 0.982 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001267298670 837162786 /nfs/dbraw/zinc/16/27/86/837162786.db2.gz QBQQZWCZNOHSLS-CYBMUJFWSA-N 1 1 332.404 0.590 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2conc2C2CC2)C1 ZINC001267301688 837166584 /nfs/dbraw/zinc/16/65/84/837166584.db2.gz DMPUXYTXJWEKCT-LLVKDONJSA-N 1 1 331.376 0.243 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2conc2C2CC2)C1 ZINC001267301688 837166588 /nfs/dbraw/zinc/16/65/88/837166588.db2.gz DMPUXYTXJWEKCT-LLVKDONJSA-N 1 1 331.376 0.243 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001267302933 837167421 /nfs/dbraw/zinc/16/74/21/837167421.db2.gz IXSNUKSNVLVSDN-ZBFHGGJFSA-N 1 1 348.451 0.224 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001267302933 837167429 /nfs/dbraw/zinc/16/74/29/837167429.db2.gz IXSNUKSNVLVSDN-ZBFHGGJFSA-N 1 1 348.451 0.224 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1ccnc2[nH]cnc21)CC(=O)NCC#N ZINC001267314198 837189542 /nfs/dbraw/zinc/18/95/42/837189542.db2.gz JZEXOASWCMITIJ-UHFFFAOYSA-N 1 1 343.391 0.039 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1ccnc2[nH]cnc21)CC(=O)NCC#N ZINC001267314198 837189548 /nfs/dbraw/zinc/18/95/48/837189548.db2.gz JZEXOASWCMITIJ-UHFFFAOYSA-N 1 1 343.391 0.039 20 30 ECEDMO CCC[N@H+](CCNC(=O)[C@H]1CCc2cccnc21)CC(=O)NCC#N ZINC001267317107 837193866 /nfs/dbraw/zinc/19/38/66/837193866.db2.gz ODZJQWLYIQTYBJ-HNNXBMFYSA-N 1 1 343.431 0.579 20 30 ECEDMO CCC[N@@H+](CCNC(=O)[C@H]1CCc2cccnc21)CC(=O)NCC#N ZINC001267317107 837193872 /nfs/dbraw/zinc/19/38/72/837193872.db2.gz ODZJQWLYIQTYBJ-HNNXBMFYSA-N 1 1 343.431 0.579 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCNC(=O)[C@@H]2CCO[C@H]2C=C)C2CC2)C1=O ZINC001267332432 837214329 /nfs/dbraw/zinc/21/43/29/837214329.db2.gz DEDITRPNFOTCRX-IKGGRYGDSA-N 1 1 347.459 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCNC(=O)[C@@H]2CCO[C@H]2C=C)C2CC2)C1=O ZINC001267332432 837214336 /nfs/dbraw/zinc/21/43/36/837214336.db2.gz DEDITRPNFOTCRX-IKGGRYGDSA-N 1 1 347.459 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCNC(=O)Cc2nonc2C)C2CC2)C1=O ZINC001267334984 837218215 /nfs/dbraw/zinc/21/82/15/837218215.db2.gz JNSHBXDHCSDYRN-OAHLLOKOSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCNC(=O)Cc2nonc2C)C2CC2)C1=O ZINC001267334984 837218223 /nfs/dbraw/zinc/21/82/23/837218223.db2.gz JNSHBXDHCSDYRN-OAHLLOKOSA-N 1 1 347.419 0.288 20 30 ECEDMO CC(C)CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001267578817 837838140 /nfs/dbraw/zinc/83/81/40/837838140.db2.gz RNEJDVJKJWPQIW-AWEZNQCLSA-N 1 1 340.493 0.796 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001267580609 837843305 /nfs/dbraw/zinc/84/33/05/837843305.db2.gz ZPNHTHLJOYVGST-KBPBESRZSA-N 1 1 343.431 0.971 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(=O)NCC)C1 ZINC001267581093 837844957 /nfs/dbraw/zinc/84/49/57/837844957.db2.gz IVXJKIGGGFQNDR-AWEZNQCLSA-N 1 1 336.436 0.416 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](CCNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001267583289 837851235 /nfs/dbraw/zinc/85/12/35/837851235.db2.gz LEVXWQQCGXLHOP-HUUCEWRRSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[C@H]2CC[N@H+](CC(=O)NC)C2)nn1 ZINC001267583661 837852010 /nfs/dbraw/zinc/85/20/10/837852010.db2.gz QMYUBYUIVZBRNA-ZDUSSCGKSA-N 1 1 334.424 0.042 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H](C)C(N)=O)C2)cc1 ZINC001267589447 837876343 /nfs/dbraw/zinc/87/63/43/837876343.db2.gz KCUALAIHVDBJBA-LSDHHAIUSA-N 1 1 343.427 0.966 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267591018 837880223 /nfs/dbraw/zinc/88/02/23/837880223.db2.gz XZZSCBOQEMFEBQ-CQSZACIVSA-N 1 1 344.415 0.239 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001267591815 837884374 /nfs/dbraw/zinc/88/43/74/837884374.db2.gz JPWAHCHPYMTSEP-AWEZNQCLSA-N 1 1 341.415 0.748 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001267596365 837900632 /nfs/dbraw/zinc/90/06/32/837900632.db2.gz YSNZFLZSYLXVOA-AWEZNQCLSA-N 1 1 346.431 0.834 20 30 ECEDMO C=CCOCC[N@H+](C)CC1CCN(C(=O)[C@H](C)NC(C)=O)CC1 ZINC001267597683 837903770 /nfs/dbraw/zinc/90/37/70/837903770.db2.gz GFEGZTXIGRMBTA-AWEZNQCLSA-N 1 1 325.453 0.884 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1 ZINC001267597429 837903863 /nfs/dbraw/zinc/90/38/63/837903863.db2.gz XJDJDJRCUUJGRR-HNNXBMFYSA-N 1 1 337.464 0.579 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C[N@@H+](C)Cc2ncnn2C)CC1 ZINC001267598396 837906499 /nfs/dbraw/zinc/90/64/99/837906499.db2.gz CBKJIBASRIZGKE-QGZVFWFLSA-N 1 1 335.452 0.813 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C[N@H+](C)Cc2ncnn2C)CC1 ZINC001267598396 837906505 /nfs/dbraw/zinc/90/65/05/837906505.db2.gz CBKJIBASRIZGKE-QGZVFWFLSA-N 1 1 335.452 0.813 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001267602057 837924933 /nfs/dbraw/zinc/92/49/33/837924933.db2.gz ZAYILZFYCCDRLB-AWEZNQCLSA-N 1 1 341.402 0.952 20 30 ECEDMO C=CC[N@H+](C)CC1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001267603923 837933804 /nfs/dbraw/zinc/93/38/04/837933804.db2.gz HNRBSZCTRFOJFK-UHFFFAOYSA-N 1 1 343.493 0.073 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001267613733 837987145 /nfs/dbraw/zinc/98/71/45/837987145.db2.gz SDPQOWDFJVGNRT-GFCCVEGCSA-N 1 1 328.376 0.197 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001267613733 837987149 /nfs/dbraw/zinc/98/71/49/837987149.db2.gz SDPQOWDFJVGNRT-GFCCVEGCSA-N 1 1 328.376 0.197 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cc(C(C)C)nn2C)CC1 ZINC001267617705 838041911 /nfs/dbraw/zinc/04/19/11/838041911.db2.gz GJLGQFSGLNWXHD-UHFFFAOYSA-N 1 1 331.464 0.866 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ncccc2O)C1 ZINC001267637923 838111556 /nfs/dbraw/zinc/11/15/56/838111556.db2.gz HUBWJONQLSRHPU-ZDUSSCGKSA-N 1 1 332.404 0.483 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ncccc2O)C1 ZINC001267637923 838111560 /nfs/dbraw/zinc/11/15/60/838111560.db2.gz HUBWJONQLSRHPU-ZDUSSCGKSA-N 1 1 332.404 0.483 20 30 ECEDMO CCOCCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267645580 838131035 /nfs/dbraw/zinc/13/10/35/838131035.db2.gz ASTHRVDSRAQICE-MRXNPFEDSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CCn2nc(C)nc2C)C1 ZINC001267647661 838137327 /nfs/dbraw/zinc/13/73/27/838137327.db2.gz YCKMCIYONACNAM-YOEHRIQHSA-N 1 1 347.463 0.714 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC001267671801 838205723 /nfs/dbraw/zinc/20/57/23/838205723.db2.gz WVBOHCXMKWQBFJ-RYUDHWBXSA-N 1 1 335.433 0.070 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001267680097 838237154 /nfs/dbraw/zinc/23/71/54/838237154.db2.gz GRZKDBFMKQXWGV-CRAIPNDOSA-N 1 1 335.448 0.515 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001267691234 838261814 /nfs/dbraw/zinc/26/18/14/838261814.db2.gz WCGHXFNZXAWWRD-JKSUJKDBSA-N 1 1 347.463 0.917 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H](CCCC)C(N)=O)C2)nc1 ZINC001267697807 838287904 /nfs/dbraw/zinc/28/79/04/838287904.db2.gz QDJRWKCCBWJRIW-MRXNPFEDSA-N 1 1 328.416 0.769 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H](C)C(=O)NCC=C)C2)nc1 ZINC001267697012 838289375 /nfs/dbraw/zinc/28/93/75/838289375.db2.gz CJOQVENWHHBQCH-ZDUSSCGKSA-N 1 1 326.400 0.415 20 30 ECEDMO Cn1cc(CCC(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)nn1 ZINC001267701209 838299709 /nfs/dbraw/zinc/29/97/09/838299709.db2.gz YMANNSYQBZJYSS-UHFFFAOYSA-N 1 1 337.427 0.847 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NCC)C2)cn1 ZINC001267701954 838302195 /nfs/dbraw/zinc/30/21/95/838302195.db2.gz BJHOSKKBTYFKNK-AWEZNQCLSA-N 1 1 328.416 0.593 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCN1CCCC1=O ZINC001267706297 838308719 /nfs/dbraw/zinc/30/87/19/838308719.db2.gz IYAZXOONHBOWDP-HOTGVXAUSA-N 1 1 333.432 0.324 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cncc2C1 ZINC001267708372 838316296 /nfs/dbraw/zinc/31/62/96/838316296.db2.gz IAGYEGIWHBWYLU-XIRDDKMYSA-N 1 1 330.432 0.933 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cncc2C1 ZINC001267708372 838316301 /nfs/dbraw/zinc/31/63/01/838316301.db2.gz IAGYEGIWHBWYLU-XIRDDKMYSA-N 1 1 330.432 0.933 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H](C)n2cccn2)CC1 ZINC001267718968 838371332 /nfs/dbraw/zinc/37/13/32/838371332.db2.gz UUSVKBBSTFEYHA-OAHLLOKOSA-N 1 1 347.463 0.917 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)COc2c(C)nn(C)c2C)C1 ZINC001267723496 838381459 /nfs/dbraw/zinc/38/14/59/838381459.db2.gz DTXOYSYSQNCASQ-HNNXBMFYSA-N 1 1 336.436 0.809 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001267724803 838386941 /nfs/dbraw/zinc/38/69/41/838386941.db2.gz NRURBXFUPMVHQQ-NVXWUHKLSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001267724802 838387223 /nfs/dbraw/zinc/38/72/23/838387223.db2.gz NRURBXFUPMVHQQ-DOTOQJQBSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001267725244 838393467 /nfs/dbraw/zinc/39/34/67/838393467.db2.gz JURSZJVTRKHFNI-AWEZNQCLSA-N 1 1 332.404 0.116 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCOCCNC(C)=O)C2)cn1 ZINC001267732452 838420409 /nfs/dbraw/zinc/42/04/09/838420409.db2.gz QMSSSLXHHJXTGR-KRWDZBQOSA-N 1 1 344.415 0.020 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001267734139 838426972 /nfs/dbraw/zinc/42/69/72/838426972.db2.gz VHLMUIVQJGFFHP-OLZOCXBDSA-N 1 1 339.399 0.505 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001267734139 838426975 /nfs/dbraw/zinc/42/69/75/838426975.db2.gz VHLMUIVQJGFFHP-OLZOCXBDSA-N 1 1 339.399 0.505 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CCOCCNC(C)=O)C1 ZINC001267747546 838455657 /nfs/dbraw/zinc/45/56/57/838455657.db2.gz YPYSJAHRAVKXAI-OAHLLOKOSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001267749021 838463536 /nfs/dbraw/zinc/46/35/36/838463536.db2.gz GNAIFVDECMSECH-VXGBXAGGSA-N 1 1 348.403 0.291 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001267749021 838463543 /nfs/dbraw/zinc/46/35/43/838463543.db2.gz GNAIFVDECMSECH-VXGBXAGGSA-N 1 1 348.403 0.291 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCOC)C1 ZINC001267755271 838480365 /nfs/dbraw/zinc/48/03/65/838480365.db2.gz FMQOSTFSKAWCBK-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCOC)C1 ZINC001267755271 838480369 /nfs/dbraw/zinc/48/03/69/838480369.db2.gz FMQOSTFSKAWCBK-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC001267762920 838492481 /nfs/dbraw/zinc/49/24/81/838492481.db2.gz URMFWLHLPYJTQB-INIZCTEOSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC001267762920 838492483 /nfs/dbraw/zinc/49/24/83/838492483.db2.gz URMFWLHLPYJTQB-INIZCTEOSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C(F)F)CCC2)C1 ZINC001267771135 838520190 /nfs/dbraw/zinc/52/01/90/838520190.db2.gz ZLUPKCWUAVGXIN-GFCCVEGCSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C(F)F)CCC2)C1 ZINC001267771135 838520200 /nfs/dbraw/zinc/52/02/00/838520200.db2.gz ZLUPKCWUAVGXIN-GFCCVEGCSA-N 1 1 327.375 0.704 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001267771779 838522239 /nfs/dbraw/zinc/52/22/39/838522239.db2.gz NFIBWYNPUFAKHZ-OAGGEKHMSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001267771779 838522242 /nfs/dbraw/zinc/52/22/42/838522242.db2.gz NFIBWYNPUFAKHZ-OAGGEKHMSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(CC)nn2C)C1 ZINC001267775694 838538120 /nfs/dbraw/zinc/53/81/20/838538120.db2.gz VTGJPSMMCBTFDE-UKRRQHHQSA-N 1 1 345.447 0.267 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(CC)nn2C)C1 ZINC001267775694 838538124 /nfs/dbraw/zinc/53/81/24/838538124.db2.gz VTGJPSMMCBTFDE-UKRRQHHQSA-N 1 1 345.447 0.267 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267783263 838557354 /nfs/dbraw/zinc/55/73/54/838557354.db2.gz HIUWXGSHBUFZDN-IAGOWNOFSA-N 1 1 349.475 0.816 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267783263 838557357 /nfs/dbraw/zinc/55/73/57/838557357.db2.gz HIUWXGSHBUFZDN-IAGOWNOFSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3)C2)nn1 ZINC001105153044 838689800 /nfs/dbraw/zinc/68/98/00/838689800.db2.gz LHQYNEOUMCQJMK-UHFFFAOYSA-N 1 1 345.407 0.001 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCN2C(=O)CCC2=O)C1 ZINC001267937437 838821077 /nfs/dbraw/zinc/82/10/77/838821077.db2.gz LQKNITABDYXKEY-OAHLLOKOSA-N 1 1 349.431 0.146 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCCN2C(=O)CCC2=O)C1 ZINC001267937437 838821093 /nfs/dbraw/zinc/82/10/93/838821093.db2.gz LQKNITABDYXKEY-OAHLLOKOSA-N 1 1 349.431 0.146 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2cnn(C)c2C)C1 ZINC001267937087 838821163 /nfs/dbraw/zinc/82/11/63/838821163.db2.gz HEOZMWVOGPKCMW-QGZVFWFLSA-N 1 1 332.448 0.892 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCc2cnn(C)c2C)C1 ZINC001267937087 838821178 /nfs/dbraw/zinc/82/11/78/838821178.db2.gz HEOZMWVOGPKCMW-QGZVFWFLSA-N 1 1 332.448 0.892 20 30 ECEDMO COCC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(=O)OC)CC2 ZINC001267972534 838902069 /nfs/dbraw/zinc/90/20/69/838902069.db2.gz JUWWMNRHGKFQFL-JKSUJKDBSA-N 1 1 348.443 0.760 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H](C)C[NH2+][C@H](C)c2noc(C)n2)nn1 ZINC001268004871 838960044 /nfs/dbraw/zinc/96/00/44/838960044.db2.gz IHQOVBPTECHRLS-WDEREUQCSA-N 1 1 333.396 0.872 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)C1CCC(O)CC1)CC2 ZINC001268043391 839192216 /nfs/dbraw/zinc/19/22/16/839192216.db2.gz ITLXMORHDKKWHA-UHFFFAOYSA-N 1 1 349.475 0.764 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC2(C[NH+]([C@H](C)C(=O)NC3CC3)C2)CC1 ZINC001268043773 839195390 /nfs/dbraw/zinc/19/53/90/839195390.db2.gz OSZDKXCIDOPONU-CABCVRRESA-N 1 1 347.459 0.616 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@]1(C)CCC(=O)NC1)CC2 ZINC001268046380 839212313 /nfs/dbraw/zinc/21/23/13/839212313.db2.gz YHHYNHKAVWOALK-SFHVURJKSA-N 1 1 347.459 0.477 20 30 ECEDMO CN1CCO[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486373 529781162 /nfs/dbraw/zinc/78/11/62/529781162.db2.gz NWZAYVWVZLKWTM-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO CN1CCO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486373 529781163 /nfs/dbraw/zinc/78/11/63/529781163.db2.gz NWZAYVWVZLKWTM-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cn2cnc(C#N)n2)cc1 ZINC000426876176 210168954 /nfs/dbraw/zinc/16/89/54/210168954.db2.gz QVEQGDXTGXXWLS-UHFFFAOYSA-N 1 1 327.348 0.289 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000329214162 283338770 /nfs/dbraw/zinc/33/87/70/283338770.db2.gz KSCJQAALNXRULD-MELADBBJSA-N 1 1 347.481 0.866 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000268796980 252249967 /nfs/dbraw/zinc/24/99/67/252249967.db2.gz CAGQQSWVGXDBMB-AWEZNQCLSA-N 1 1 344.375 0.604 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000329902737 285019518 /nfs/dbraw/zinc/01/95/18/285019518.db2.gz PPGXCUQYFZPFAZ-ZBFHGGJFSA-N 1 1 327.425 0.503 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[N@H+](C)C1 ZINC000413903842 208369503 /nfs/dbraw/zinc/36/95/03/208369503.db2.gz ORLQSYAGMFMLDQ-LLVKDONJSA-N 1 1 336.779 0.783 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[N@@H+](C)C1 ZINC000413903842 208369508 /nfs/dbraw/zinc/36/95/08/208369508.db2.gz ORLQSYAGMFMLDQ-LLVKDONJSA-N 1 1 336.779 0.783 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[N@H+](C)C1 ZINC000413914579 208377001 /nfs/dbraw/zinc/37/70/01/208377001.db2.gz GSJRFLLFHRADGO-DZGCQCFKSA-N 1 1 345.399 0.889 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000413914579 208377008 /nfs/dbraw/zinc/37/70/08/208377008.db2.gz GSJRFLLFHRADGO-DZGCQCFKSA-N 1 1 345.399 0.889 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000329826620 285195410 /nfs/dbraw/zinc/19/54/10/285195410.db2.gz CKPIUEPSLGYGME-HZSPNIEDSA-N 1 1 347.481 0.866 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000292758907 254579474 /nfs/dbraw/zinc/57/94/74/254579474.db2.gz ITBTTXFOTHZHFG-UHFFFAOYSA-N 1 1 342.443 0.996 20 30 ECEDMO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000329667898 254613756 /nfs/dbraw/zinc/61/37/56/254613756.db2.gz QSWFWGFSPSAGHZ-DMDPSCGWSA-N 1 1 335.495 0.360 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000337989511 254670888 /nfs/dbraw/zinc/67/08/88/254670888.db2.gz DZNSWSFTWSLOGM-ZIAGYGMSSA-N 1 1 332.470 0.292 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000430382163 254792474 /nfs/dbraw/zinc/79/24/74/254792474.db2.gz DHVQUUHERURWEQ-GDBMZVCRSA-N 1 1 335.448 0.781 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000441235674 254799446 /nfs/dbraw/zinc/79/94/46/254799446.db2.gz SOQTVDQNRQQITF-DOMZBBRYSA-N 1 1 325.409 0.240 20 30 ECEDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489646580 254866829 /nfs/dbraw/zinc/86/68/29/254866829.db2.gz YSZLOOQNUIWOBE-LBPRGKRZSA-N 1 1 327.381 0.696 20 30 ECEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489646580 254866832 /nfs/dbraw/zinc/86/68/32/254866832.db2.gz YSZLOOQNUIWOBE-LBPRGKRZSA-N 1 1 327.381 0.696 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1=O ZINC000496526892 255107695 /nfs/dbraw/zinc/10/76/95/255107695.db2.gz DVOCDVOOEVHJCJ-KBPBESRZSA-N 1 1 341.452 0.933 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001041695620 782012944 /nfs/dbraw/zinc/01/29/44/782012944.db2.gz CTTDQSBXXLINRL-VKJFTORMSA-N 1 1 335.448 0.590 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000190095430 165018313 /nfs/dbraw/zinc/01/83/13/165018313.db2.gz YJWJKJGACKDZAM-GXTWGEPZSA-N 1 1 344.419 0.969 20 30 ECEDMO CNC(=O)[C@@]1(C)CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000323873260 165462544 /nfs/dbraw/zinc/46/25/44/165462544.db2.gz UGOAKYOIKMFRSH-INIZCTEOSA-N 1 1 335.429 0.790 20 30 ECEDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000323873260 165462551 /nfs/dbraw/zinc/46/25/51/165462551.db2.gz UGOAKYOIKMFRSH-INIZCTEOSA-N 1 1 335.429 0.790 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC001041704105 782022775 /nfs/dbraw/zinc/02/27/75/782022775.db2.gz OBHUTTTWJUMSJH-YOEHRIQHSA-N 1 1 330.436 0.736 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000122202883 222035519 /nfs/dbraw/zinc/03/55/19/222035519.db2.gz BXGVERNMJODPKX-CQSZACIVSA-N 1 1 343.431 0.496 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001077963523 782026118 /nfs/dbraw/zinc/02/61/18/782026118.db2.gz VLSANTJXMSXVJM-LSDHHAIUSA-N 1 1 341.452 0.309 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCC([N@@H+](C)CCO)CC2)cc1C#N ZINC000331146099 269924688 /nfs/dbraw/zinc/92/46/88/269924688.db2.gz NMPQMXSFVDTPNN-UHFFFAOYSA-N 1 1 338.433 0.339 20 30 ECEDMO COCC[NH+]1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000175981056 263152283 /nfs/dbraw/zinc/15/22/83/263152283.db2.gz MPNBTSDAJHHUSU-UHFFFAOYSA-N 1 1 332.404 0.911 20 30 ECEDMO C[C@]1(C(N)=O)CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000281153370 263968021 /nfs/dbraw/zinc/96/80/21/263968021.db2.gz OPOAXBWNAUSCFO-GUYCJALGSA-N 1 1 326.356 0.387 20 30 ECEDMO CCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000282615980 264053691 /nfs/dbraw/zinc/05/36/91/264053691.db2.gz ZJFXNGVFVXVLFI-ZBFHGGJFSA-N 1 1 345.399 0.767 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000283548958 264128345 /nfs/dbraw/zinc/12/83/45/264128345.db2.gz LDCICSZCCDIJEA-CQSZACIVSA-N 1 1 344.415 0.574 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286139434 266128914 /nfs/dbraw/zinc/12/89/14/266128914.db2.gz HSVIRBVCFBZZOW-HNNXBMFYSA-N 1 1 348.422 0.954 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373855574 266145047 /nfs/dbraw/zinc/14/50/47/266145047.db2.gz PBLFFDDAWUIODT-CQSZACIVSA-N 1 1 331.424 0.981 20 30 ECEDMO CC[N@@H+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@@H](C)C1 ZINC000287942156 266146988 /nfs/dbraw/zinc/14/69/88/266146988.db2.gz SJNBFFJHUYQXKV-ZDUSSCGKSA-N 1 1 326.400 1.000 20 30 ECEDMO CC[N@H+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@@H](C)C1 ZINC000287942156 266146993 /nfs/dbraw/zinc/14/69/93/266146993.db2.gz SJNBFFJHUYQXKV-ZDUSSCGKSA-N 1 1 326.400 1.000 20 30 ECEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358103851 266328057 /nfs/dbraw/zinc/32/80/57/266328057.db2.gz BTUASUONXGTODU-QGZVFWFLSA-N 1 1 346.387 0.078 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000375494592 267164455 /nfs/dbraw/zinc/16/44/55/267164455.db2.gz HLEFJMVZLHBTKB-OAHLLOKOSA-N 1 1 330.432 0.563 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372105414 267282305 /nfs/dbraw/zinc/28/23/05/267282305.db2.gz LMHPEMIYLONWOQ-CABCVRRESA-N 1 1 342.399 0.785 20 30 ECEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)cc1Cl ZINC000366420790 268140640 /nfs/dbraw/zinc/14/06/40/268140640.db2.gz PWLHZLDPLCQYER-NEPJUHHUSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)cc1Cl ZINC000366420790 268140642 /nfs/dbraw/zinc/14/06/42/268140642.db2.gz PWLHZLDPLCQYER-NEPJUHHUSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1F ZINC000296355719 268205130 /nfs/dbraw/zinc/20/51/30/268205130.db2.gz WKJOBLAZVDLRDJ-CYBMUJFWSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1F ZINC000296355719 268205133 /nfs/dbraw/zinc/20/51/33/268205133.db2.gz WKJOBLAZVDLRDJ-CYBMUJFWSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000528451467 268301571 /nfs/dbraw/zinc/30/15/71/268301571.db2.gz RVJSYADPSWSEBF-HZPDHXFCSA-N 1 1 344.415 0.834 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000354354967 437594237 /nfs/dbraw/zinc/59/42/37/437594237.db2.gz SBCQTFFROSCYHY-UHFFFAOYSA-N 1 1 347.394 0.390 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)CC1 ZINC000333175693 276011318 /nfs/dbraw/zinc/01/13/18/276011318.db2.gz QVCKFMZLACLIQZ-MHORFTMASA-N 1 1 348.491 0.772 20 30 ECEDMO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092617519 277057964 /nfs/dbraw/zinc/05/79/64/277057964.db2.gz OKKGMNOFHSYPQV-IRXDYDNUSA-N 1 1 349.479 0.279 20 30 ECEDMO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000092617519 277057965 /nfs/dbraw/zinc/05/79/65/277057965.db2.gz OKKGMNOFHSYPQV-IRXDYDNUSA-N 1 1 349.479 0.279 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncn4nccc4c3=O)C2)C1 ZINC001041720469 782050373 /nfs/dbraw/zinc/05/03/73/782050373.db2.gz POICHOPVIBVQAR-QGZVFWFLSA-N 1 1 342.403 0.001 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000329835699 288125755 /nfs/dbraw/zinc/12/57/55/288125755.db2.gz UXUSJXIYZXJGCT-DGCLKSJQSA-N 1 1 329.466 0.892 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000329835699 288125756 /nfs/dbraw/zinc/12/57/56/288125756.db2.gz UXUSJXIYZXJGCT-DGCLKSJQSA-N 1 1 329.466 0.892 20 30 ECEDMO C=CC[N@H+](CC(=O)NCC#N)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343567700 437604818 /nfs/dbraw/zinc/60/48/18/437604818.db2.gz WQYAKBOGILXGIG-ZDUSSCGKSA-N 1 1 325.376 0.851 20 30 ECEDMO C=CC[N@@H+](CC(=O)NCC#N)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343567700 437604823 /nfs/dbraw/zinc/60/48/23/437604823.db2.gz WQYAKBOGILXGIG-ZDUSSCGKSA-N 1 1 325.376 0.851 20 30 ECEDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCc2ncnn2C1 ZINC000329654512 289044183 /nfs/dbraw/zinc/04/41/83/289044183.db2.gz LSJHGEZVULGSKT-HZSPNIEDSA-N 1 1 334.424 0.302 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)cc1 ZINC000069645434 435954257 /nfs/dbraw/zinc/95/42/57/435954257.db2.gz NKFNUFMMTQCNLC-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)cc1 ZINC000069645434 435954264 /nfs/dbraw/zinc/95/42/64/435954264.db2.gz NKFNUFMMTQCNLC-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO CN(C)C(=O)CN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000026256347 436160854 /nfs/dbraw/zinc/16/08/54/436160854.db2.gz PVFHLDXZGXJNAB-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](C(N)=O)C3)C2=O)cc1 ZINC000077397646 436236719 /nfs/dbraw/zinc/23/67/19/436236719.db2.gz ZKEBZZOWQUUIDQ-GXTWGEPZSA-N 1 1 326.356 0.387 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](C(N)=O)C3)C2=O)cc1 ZINC000077397646 436236725 /nfs/dbraw/zinc/23/67/25/436236725.db2.gz ZKEBZZOWQUUIDQ-GXTWGEPZSA-N 1 1 326.356 0.387 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C[C@H]3CCCO3)CC2)o1 ZINC000076297836 436200725 /nfs/dbraw/zinc/20/07/25/436200725.db2.gz XNTZSWFTIPSAPH-CQSZACIVSA-N 1 1 347.419 0.614 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)C[C@H]3CCCO3)CC2)o1 ZINC000076297836 436200731 /nfs/dbraw/zinc/20/07/31/436200731.db2.gz XNTZSWFTIPSAPH-CQSZACIVSA-N 1 1 347.419 0.614 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000081724906 436353948 /nfs/dbraw/zinc/35/39/48/436353948.db2.gz KASJLNQSUMVOTB-DLBZAZTESA-N 1 1 340.427 0.942 20 30 ECEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000080906548 436330985 /nfs/dbraw/zinc/33/09/85/436330985.db2.gz NSKWVVIVILMNLY-INIZCTEOSA-N 1 1 341.415 0.811 20 30 ECEDMO CN(Cc1cccc(C#N)c1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000046227127 436390374 /nfs/dbraw/zinc/39/03/74/436390374.db2.gz DJIBWUQVDKITPC-UHFFFAOYSA-N 1 1 343.431 0.864 20 30 ECEDMO C#CCN(C(=O)NC1CC[NH+](CC=C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000091218530 436446099 /nfs/dbraw/zinc/44/60/99/436446099.db2.gz OYYDIIBVWJLDOO-HNNXBMFYSA-N 1 1 339.461 0.469 20 30 ECEDMO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942599 436421121 /nfs/dbraw/zinc/42/11/21/436421121.db2.gz IDXOPFPVUABVQQ-LLVKDONJSA-N 1 1 349.439 0.598 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000051123736 436483188 /nfs/dbraw/zinc/48/31/88/436483188.db2.gz TYEWMOQCBJBXQN-UHFFFAOYSA-N 1 1 344.459 0.565 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000051123736 436483190 /nfs/dbraw/zinc/48/31/90/436483190.db2.gz TYEWMOQCBJBXQN-UHFFFAOYSA-N 1 1 344.459 0.565 20 30 ECEDMO C[N@H+](Cc1cnc2ccc(C#N)cn12)C[C@@H](O)CN1CCOCC1 ZINC000093583365 436488874 /nfs/dbraw/zinc/48/88/74/436488874.db2.gz YUBIDMPXTYLFFB-MRXNPFEDSA-N 1 1 329.404 0.331 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000105808967 436578506 /nfs/dbraw/zinc/57/85/06/436578506.db2.gz ZDFAKBXQKSWNFH-KBPBESRZSA-N 1 1 346.435 0.778 20 30 ECEDMO Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCO[C@@H](C#N)C2)CC1 ZINC000106306425 436591530 /nfs/dbraw/zinc/59/15/30/436591530.db2.gz HRHBIHHHCLUNSK-SFHVURJKSA-N 1 1 342.443 0.864 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(C#N)cn2)CC1 ZINC000107449276 436612046 /nfs/dbraw/zinc/61/20/46/436612046.db2.gz RFCMCSUJQYDVOY-HNNXBMFYSA-N 1 1 327.388 0.332 20 30 ECEDMO C=CCSCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000137916235 436659854 /nfs/dbraw/zinc/65/98/54/436659854.db2.gz GJHMEOGWZWWVJK-AWEZNQCLSA-N 1 1 340.493 0.854 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000193970918 436656731 /nfs/dbraw/zinc/65/67/31/436656731.db2.gz KUZDGZYTTRVMMZ-UHFFFAOYSA-N 1 1 331.420 0.633 20 30 ECEDMO C[C@H](CN1CCOCC1)[N@H+](CC(=O)NCC#N)Cc1ccccc1 ZINC000066500740 436687531 /nfs/dbraw/zinc/68/75/31/436687531.db2.gz NNPWKPNZGHYRCB-MRXNPFEDSA-N 1 1 330.432 0.849 20 30 ECEDMO C[C@H](CN1CCOCC1)[N@@H+](CC(=O)NCC#N)Cc1ccccc1 ZINC000066500740 436687535 /nfs/dbraw/zinc/68/75/35/436687535.db2.gz NNPWKPNZGHYRCB-MRXNPFEDSA-N 1 1 330.432 0.849 20 30 ECEDMO N#CCSCC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000195457817 436689206 /nfs/dbraw/zinc/68/92/06/436689206.db2.gz BYMCBMRCUGLXSN-UHFFFAOYSA-N 1 1 346.456 0.704 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509779 436692598 /nfs/dbraw/zinc/69/25/98/436692598.db2.gz CEMRVSMWZCALAY-CYBMUJFWSA-N 1 1 349.435 0.455 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000271867209 436695932 /nfs/dbraw/zinc/69/59/32/436695932.db2.gz LBQJAQZDFKKVOL-UHFFFAOYSA-N 1 1 347.440 0.590 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)cc1F ZINC000151151536 436697039 /nfs/dbraw/zinc/69/70/39/436697039.db2.gz BDRAGENJIFJNPA-UHFFFAOYSA-N 1 1 342.440 0.811 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cc2cccc(OCC(=O)NC)c2)CC1 ZINC000121014211 436705009 /nfs/dbraw/zinc/70/50/09/436705009.db2.gz FJUBQMQJFYVKGV-UHFFFAOYSA-N 1 1 343.427 0.521 20 30 ECEDMO N#Cc1cccnc1N1CCC[N@H+](C[C@H](O)Cn2cccn2)CC1 ZINC000067462602 436715290 /nfs/dbraw/zinc/71/52/90/436715290.db2.gz GHKNRMYHJOQMKG-INIZCTEOSA-N 1 1 326.404 0.723 20 30 ECEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000119064756 436665941 /nfs/dbraw/zinc/66/59/41/436665941.db2.gz ZJFSRBPEDMALGN-CYBMUJFWSA-N 1 1 333.436 0.878 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000269738669 436669359 /nfs/dbraw/zinc/66/93/59/436669359.db2.gz IWMHPCXLPPMANV-UHFFFAOYSA-N 1 1 349.456 0.732 20 30 ECEDMO CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)C1CC1 ZINC000271089632 436677142 /nfs/dbraw/zinc/67/71/42/436677142.db2.gz UPUJKHUVSRBUIT-UHFFFAOYSA-N 1 1 332.408 0.644 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000121681336 436722709 /nfs/dbraw/zinc/72/27/09/436722709.db2.gz QXIPSYOXJDDGDB-AWEZNQCLSA-N 1 1 326.441 0.431 20 30 ECEDMO C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000123133925 436739543 /nfs/dbraw/zinc/73/95/43/436739543.db2.gz NSWLPJHEHVCULC-CQSZACIVSA-N 1 1 344.415 0.918 20 30 ECEDMO C=CC[C@H](CO)NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000273272385 436742066 /nfs/dbraw/zinc/74/20/66/436742066.db2.gz JVNZDUWCIMUTIN-MRXNPFEDSA-N 1 1 347.463 0.830 20 30 ECEDMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3ccc(C#N)[nH]3)cn2)CC1 ZINC000125610813 436773431 /nfs/dbraw/zinc/77/34/31/436773431.db2.gz PCKIAELIOUFFLC-UHFFFAOYSA-N 1 1 341.375 0.109 20 30 ECEDMO Cc1nc(CN2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC2)no1 ZINC000247242594 436791376 /nfs/dbraw/zinc/79/13/76/436791376.db2.gz SKYJBKUMZVAJJM-CYBMUJFWSA-N 1 1 334.424 0.646 20 30 ECEDMO Cc1nc(CN2CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC2)no1 ZINC000247242594 436791379 /nfs/dbraw/zinc/79/13/79/436791379.db2.gz SKYJBKUMZVAJJM-CYBMUJFWSA-N 1 1 334.424 0.646 20 30 ECEDMO N#Cc1cccnc1N1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000127270196 436799011 /nfs/dbraw/zinc/79/90/11/436799011.db2.gz CNTAWSYPHLKNQQ-INIZCTEOSA-N 1 1 346.431 0.632 20 30 ECEDMO C#CCNC(=O)CC[N@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000293411741 436874357 /nfs/dbraw/zinc/87/43/57/436874357.db2.gz IEJHYZFWQJPXEY-UHFFFAOYSA-N 1 1 345.399 0.858 20 30 ECEDMO CCN(CCC#N)C(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159361567 436856443 /nfs/dbraw/zinc/85/64/43/436856443.db2.gz AEKZQSZCVWYGRG-HNNXBMFYSA-N 1 1 335.452 0.163 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N(CC)CC)nc1 ZINC000293289163 436864545 /nfs/dbraw/zinc/86/45/45/436864545.db2.gz GRGSKEWTJCKLEZ-UHFFFAOYSA-N 1 1 345.447 0.938 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000129950869 436831920 /nfs/dbraw/zinc/83/19/20/436831920.db2.gz GVVHWBRJROYKTP-GJZGRUSLSA-N 1 1 349.479 0.241 20 30 ECEDMO C[C@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)N1CC[NH+](C)CC1 ZINC000130303806 436837023 /nfs/dbraw/zinc/83/70/23/436837023.db2.gz QHCUVJZEKAZYHO-CQSZACIVSA-N 1 1 328.416 0.784 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000293908000 436917585 /nfs/dbraw/zinc/91/75/85/436917585.db2.gz FTGOWCBAPMCDTG-KBXCAEBGSA-N 1 1 348.447 0.558 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(CC(=O)OC)c1 ZINC000293936132 436920007 /nfs/dbraw/zinc/92/00/07/436920007.db2.gz ZGVDIFLMWSQIFV-UHFFFAOYSA-N 1 1 338.429 0.636 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cn1 ZINC000161727654 436896419 /nfs/dbraw/zinc/89/64/19/436896419.db2.gz LLDRKQVRDMLUEN-AWEZNQCLSA-N 1 1 338.433 0.468 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000293758885 436906133 /nfs/dbraw/zinc/90/61/33/436906133.db2.gz JUFRCRZWGKWXLJ-UHFFFAOYSA-N 1 1 349.456 0.829 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162696929 436911033 /nfs/dbraw/zinc/91/10/33/436911033.db2.gz BWKRUSVXVXQLHE-HZPDHXFCSA-N 1 1 349.479 0.233 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136328099 436931261 /nfs/dbraw/zinc/93/12/61/436931261.db2.gz POOQSDNGDBTADS-CYBMUJFWSA-N 1 1 348.378 0.863 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136328151 436931514 /nfs/dbraw/zinc/93/15/14/436931514.db2.gz POOQSDNGDBTADS-ZDUSSCGKSA-N 1 1 348.378 0.863 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166566533 436938502 /nfs/dbraw/zinc/93/85/02/436938502.db2.gz XXIDJCRBJYVGSF-LBPRGKRZSA-N 1 1 348.403 0.874 20 30 ECEDMO N#CC1(CS(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000166410298 436938609 /nfs/dbraw/zinc/93/86/09/436938609.db2.gz XFSZXXHUMHSODK-INIZCTEOSA-N 1 1 349.456 0.976 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1cccnc1N1CCOCC1 ZINC000296549946 436992928 /nfs/dbraw/zinc/99/29/28/436992928.db2.gz JQIGUHRGVBYFSJ-UHFFFAOYSA-N 1 1 345.447 0.673 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296546753 436993721 /nfs/dbraw/zinc/99/37/21/436993721.db2.gz YJCBKYXTZJIWOS-HNNXBMFYSA-N 1 1 330.384 0.730 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000296896586 436999025 /nfs/dbraw/zinc/99/90/25/436999025.db2.gz MQUHGHJZKICZRX-HOTGVXAUSA-N 1 1 347.463 0.830 20 30 ECEDMO COC(=O)CNC(=O)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000264764694 437079845 /nfs/dbraw/zinc/07/98/45/437079845.db2.gz ZYWLUZHMQLWJSN-UHFFFAOYSA-N 1 1 344.415 0.750 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285785501 437082442 /nfs/dbraw/zinc/08/24/42/437082442.db2.gz ZCPSXFBSBHSIIM-HUUCEWRRSA-N 1 1 343.493 0.931 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285785501 437082445 /nfs/dbraw/zinc/08/24/45/437082445.db2.gz ZCPSXFBSBHSIIM-HUUCEWRRSA-N 1 1 343.493 0.931 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000286884217 437142566 /nfs/dbraw/zinc/14/25/66/437142566.db2.gz ILWARLHMKFWMMB-OAHLLOKOSA-N 1 1 348.447 0.199 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](CCO)CC1 ZINC000303045308 437153734 /nfs/dbraw/zinc/15/37/34/437153734.db2.gz UGYDJTTWMOZZCA-UHFFFAOYSA-N 1 1 333.436 0.483 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CCO)[C@H]2CCc3ccccc32)CC1 ZINC000304755490 437160637 /nfs/dbraw/zinc/16/06/37/437160637.db2.gz ZIIQPOPLFVCOJL-IBGZPJMESA-N 1 1 341.455 0.746 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)NCC[N@H+](C)CCOC)c1 ZINC000265403289 437122420 /nfs/dbraw/zinc/12/24/20/437122420.db2.gz UUOYVSRMLZRNEU-UHFFFAOYSA-N 1 1 333.388 0.332 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C[NH+]1CCOCC1 ZINC000175994616 437129055 /nfs/dbraw/zinc/12/90/55/437129055.db2.gz AGVXMHKQKNPUAB-GFCCVEGCSA-N 1 1 348.378 0.720 20 30 ECEDMO CC[N@@H+](CCO)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000305786647 437164836 /nfs/dbraw/zinc/16/48/36/437164836.db2.gz RZBITLSGEITOAP-AWEZNQCLSA-N 1 1 336.461 0.771 20 30 ECEDMO CC(=O)N1CCN(C(=O)[C@H](C)O[NH+]=C(N)CCc2ccccc2)CC1 ZINC000178152584 437208759 /nfs/dbraw/zinc/20/87/59/437208759.db2.gz AGQGDGSYOZSAGD-AWEZNQCLSA-N 1 1 346.431 0.987 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266187973 437221698 /nfs/dbraw/zinc/22/16/98/437221698.db2.gz MQXMSOGQESZAPF-NEPJUHHUSA-N 1 1 332.408 0.449 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266187973 437221702 /nfs/dbraw/zinc/22/17/02/437221702.db2.gz MQXMSOGQESZAPF-NEPJUHHUSA-N 1 1 332.408 0.449 20 30 ECEDMO CNC(=O)[C@]1(C)CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000323873261 437224926 /nfs/dbraw/zinc/22/49/26/437224926.db2.gz UGOAKYOIKMFRSH-MRXNPFEDSA-N 1 1 335.429 0.790 20 30 ECEDMO CNC(=O)[C@]1(C)CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000323873261 437224931 /nfs/dbraw/zinc/22/49/31/437224931.db2.gz UGOAKYOIKMFRSH-MRXNPFEDSA-N 1 1 335.429 0.790 20 30 ECEDMO CC1(C)C[N@H+](CCNC(=O)CCC(=O)N2CCOCC2)CCO1 ZINC000328645718 437245696 /nfs/dbraw/zinc/24/56/96/437245696.db2.gz GNAQPXRULQTASL-UHFFFAOYSA-N 1 1 327.425 0.693 20 30 ECEDMO CC1(C)C[N@@H+](CCNC(=O)CCC(=O)N2CCOCC2)CCO1 ZINC000328645718 437245701 /nfs/dbraw/zinc/24/57/01/437245701.db2.gz GNAQPXRULQTASL-UHFFFAOYSA-N 1 1 327.425 0.693 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000266855965 437257032 /nfs/dbraw/zinc/25/70/32/437257032.db2.gz SGLUXJGWUXTVIV-VLUKHXRESA-N 1 1 334.420 0.894 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000328765755 437261545 /nfs/dbraw/zinc/26/15/45/437261545.db2.gz APHLQEFCVCLMKM-BZPMIXESSA-N 1 1 344.481 0.254 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000336936961 437313902 /nfs/dbraw/zinc/31/39/02/437313902.db2.gz GMWCGRTWJZZWQF-GFCCVEGCSA-N 1 1 325.394 0.058 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2cc(COC)ncn2)CC1 ZINC000329107746 437319169 /nfs/dbraw/zinc/31/91/69/437319169.db2.gz FAHZUVAUNQHOSV-UHFFFAOYSA-N 1 1 336.396 1.000 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000329108379 437319601 /nfs/dbraw/zinc/31/96/01/437319601.db2.gz FPKBZNJYVKUPJT-KKUMJFAQSA-N 1 1 338.452 0.706 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@]2(O)CCOC2)C[C@@H](C)O1 ZINC000328855874 437272148 /nfs/dbraw/zinc/27/21/48/437272148.db2.gz UALLAQAYGXNNQL-XJKCOSOUSA-N 1 1 329.441 0.529 20 30 ECEDMO N#Cc1nccn1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000179860160 437274843 /nfs/dbraw/zinc/27/48/43/437274843.db2.gz UCHABUQDWMRABY-UHFFFAOYSA-N 1 1 331.420 0.906 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000180304461 437286565 /nfs/dbraw/zinc/28/65/65/437286565.db2.gz CHBGZLNUPMBZGX-CQSZACIVSA-N 1 1 326.441 0.335 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)s1 ZINC000267169033 437298875 /nfs/dbraw/zinc/29/88/75/437298875.db2.gz HRRMXMNAIIIKFZ-KGLIPLIRSA-N 1 1 341.458 0.207 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3CC[N@@H+](C)C[C@H]31)CC2 ZINC000329284330 437346001 /nfs/dbraw/zinc/34/60/01/437346001.db2.gz NVZPDNQVUPBVPT-BFHYXJOUSA-N 1 1 348.451 0.679 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]3CC[N@@H+](C)C[C@H]31)CC2 ZINC000329284330 437346008 /nfs/dbraw/zinc/34/60/08/437346008.db2.gz NVZPDNQVUPBVPT-BFHYXJOUSA-N 1 1 348.451 0.679 20 30 ECEDMO CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000329318556 437352168 /nfs/dbraw/zinc/35/21/68/437352168.db2.gz SUNGCZDUNWMJTP-ZDUSSCGKSA-N 1 1 344.481 0.518 20 30 ECEDMO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[N@H+](C[C@H](C)O)C[C@H]1C)CC2 ZINC000329470640 437373274 /nfs/dbraw/zinc/37/32/74/437373274.db2.gz YYAPPJLAFADZLD-MBNYWOFBSA-N 1 1 336.440 0.202 20 30 ECEDMO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCN(C[C@H](C)O)C[C@H]1C)CC2 ZINC000329470640 437373278 /nfs/dbraw/zinc/37/32/78/437373278.db2.gz YYAPPJLAFADZLD-MBNYWOFBSA-N 1 1 336.440 0.202 20 30 ECEDMO CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000329171900 437330756 /nfs/dbraw/zinc/33/07/56/437330756.db2.gz KUZGJZYCGNGBBO-TZMCWYRMSA-N 1 1 346.497 0.848 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000182102024 437338303 /nfs/dbraw/zinc/33/83/03/437338303.db2.gz JMVDLZGMBOTTSH-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000182102024 437338304 /nfs/dbraw/zinc/33/83/04/437338304.db2.gz JMVDLZGMBOTTSH-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCc3cn[nH]c3)CC2)CC1 ZINC000329736636 437408268 /nfs/dbraw/zinc/40/82/68/437408268.db2.gz LOSMJIXBRTVAAK-UHFFFAOYSA-N 1 1 348.451 0.352 20 30 ECEDMO Cc1nc2ccc(NC(=O)N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)cn2n1 ZINC000329786598 437412628 /nfs/dbraw/zinc/41/26/28/437412628.db2.gz QRPNUOXRGTZGFV-NWDGAFQWSA-N 1 1 332.408 0.970 20 30 ECEDMO Cc1nc2ccc(NC(=O)N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)cn2n1 ZINC000329786598 437412631 /nfs/dbraw/zinc/41/26/31/437412631.db2.gz QRPNUOXRGTZGFV-NWDGAFQWSA-N 1 1 332.408 0.970 20 30 ECEDMO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000329842363 437420990 /nfs/dbraw/zinc/42/09/90/437420990.db2.gz KHLLQGYFOJNRGR-SOUVJXGZSA-N 1 1 327.425 0.281 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C[C@H]1[NH+]1CCOCC1 ZINC000329897448 437426559 /nfs/dbraw/zinc/42/65/59/437426559.db2.gz CWMNSQNASNOVJE-XJFOESAGSA-N 1 1 340.424 0.636 20 30 ECEDMO CCn1nc(C(=O)NCCN2CC[NH+](C)CC2)c(=O)c2ccccc21 ZINC000329583121 437386575 /nfs/dbraw/zinc/38/65/75/437386575.db2.gz VTSBAUGOZIIQCQ-UHFFFAOYSA-N 1 1 343.431 0.968 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000330266722 437477477 /nfs/dbraw/zinc/47/74/77/437477477.db2.gz QBENQSZJFWJIAN-ZBFHGGJFSA-N 1 1 340.468 0.416 20 30 ECEDMO C[C@@H]1CN(CC(=O)NC[C@H]2Cc3ccccc3O2)CC[N@@H+]1CCO ZINC000330289645 437480522 /nfs/dbraw/zinc/48/05/22/437480522.db2.gz CAHIMBAHRBCSOX-GDBMZVCRSA-N 1 1 333.432 0.945 20 30 ECEDMO C[C@@H]1CN(CC(=O)NC[C@H]2Cc3ccccc3O2)CC[N@H+]1CCO ZINC000330289645 437480525 /nfs/dbraw/zinc/48/05/25/437480525.db2.gz CAHIMBAHRBCSOX-GDBMZVCRSA-N 1 1 333.432 0.945 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@]3(CCOC3)C2)C1 ZINC000329940535 437434364 /nfs/dbraw/zinc/43/43/64/437434364.db2.gz GESKZOFCJDGXFS-NVXWUHKLSA-N 1 1 341.452 0.749 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000339094616 437441634 /nfs/dbraw/zinc/44/16/34/437441634.db2.gz AJNVEVSIWAZFFP-KGLIPLIRSA-N 1 1 344.481 0.256 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000339094616 437441636 /nfs/dbraw/zinc/44/16/36/437441636.db2.gz AJNVEVSIWAZFFP-KGLIPLIRSA-N 1 1 344.481 0.256 20 30 ECEDMO Cn1cnc2c(c1=O)CCN(C(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000330074428 437449986 /nfs/dbraw/zinc/44/99/86/437449986.db2.gz CWHUDQHAHBMBIO-HIFRSBDPSA-N 1 1 331.420 0.679 20 30 ECEDMO CC(C)CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@H](C)C1=O ZINC000330186022 437466174 /nfs/dbraw/zinc/46/61/74/437466174.db2.gz JKUMYPPQZWVLFN-HUUCEWRRSA-N 1 1 339.484 0.335 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)OCC ZINC000339440346 437466935 /nfs/dbraw/zinc/46/69/35/437466935.db2.gz WSWVTKUDJJWQES-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343165203 437522975 /nfs/dbraw/zinc/52/29/75/437522975.db2.gz OEUABUKWFSWLOF-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO CC(C)[C@H](CNS(=O)(=O)CC1(C#N)CCC1)N1CCN(C)CC1 ZINC000354116365 437534812 /nfs/dbraw/zinc/53/48/12/437534812.db2.gz XTOCIVXMMBVBAX-HNNXBMFYSA-N 1 1 342.509 0.872 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000291092859 437559287 /nfs/dbraw/zinc/55/92/87/437559287.db2.gz IAIJRCIVOXDAHZ-ZDUSSCGKSA-N 1 1 344.481 0.094 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188683356 437561229 /nfs/dbraw/zinc/56/12/29/437561229.db2.gz INKYSCVBVRXYLF-OAHLLOKOSA-N 1 1 342.399 0.642 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000340148044 437584343 /nfs/dbraw/zinc/58/43/43/437584343.db2.gz HQCOEOWDKYMQFA-CJNGLKHVSA-N 1 1 343.431 0.097 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000330851368 437633304 /nfs/dbraw/zinc/63/33/04/437633304.db2.gz QFCIBCJEBRAFTK-UONOGXRCSA-N 1 1 340.468 0.906 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(C(=O)NCC(=O)N2CCCC2)CC1 ZINC000330873917 437638918 /nfs/dbraw/zinc/63/89/18/437638918.db2.gz SRPICOMNCYORBH-UHFFFAOYSA-N 1 1 326.441 0.301 20 30 ECEDMO C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000354665131 437645341 /nfs/dbraw/zinc/64/53/41/437645341.db2.gz DZBHZIZHCPKAOR-AWEZNQCLSA-N 1 1 331.416 0.925 20 30 ECEDMO CCOC[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000331062820 437681153 /nfs/dbraw/zinc/68/11/53/437681153.db2.gz VLBWPASNWMKTPN-ZDUSSCGKSA-N 1 1 326.441 0.469 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(CC(=O)OC)CC1 ZINC000355275066 437693337 /nfs/dbraw/zinc/69/33/37/437693337.db2.gz GAQJFKYBMJRKRL-KRWDZBQOSA-N 1 1 348.443 0.945 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000331222515 437720884 /nfs/dbraw/zinc/72/08/84/437720884.db2.gz BRFPWLGPTXENKE-BBRMVZONSA-N 1 1 338.452 0.682 20 30 ECEDMO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)O1 ZINC000340961252 437764477 /nfs/dbraw/zinc/76/44/77/437764477.db2.gz YZEUGLBKKFQRRI-QLFBSQMISA-N 1 1 330.388 0.310 20 30 ECEDMO COC(=O)[C@H]1CC[C@@H](NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000331230989 437722284 /nfs/dbraw/zinc/72/22/84/437722284.db2.gz HSQXNYNVLOPTTJ-XDQVBPFNSA-N 1 1 327.425 0.629 20 30 ECEDMO CN1CCN(C(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)CC1 ZINC000344076246 437728202 /nfs/dbraw/zinc/72/82/02/437728202.db2.gz SRJRRAYKKJPKTL-UHFFFAOYSA-N 1 1 330.432 0.781 20 30 ECEDMO CN1CCN(C(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)CC1 ZINC000344076246 437728203 /nfs/dbraw/zinc/72/82/03/437728203.db2.gz SRJRRAYKKJPKTL-UHFFFAOYSA-N 1 1 330.432 0.781 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H](CO)C2)CC1 ZINC000362303966 437730190 /nfs/dbraw/zinc/73/01/90/437730190.db2.gz DCZXLDIQKBCCJH-DLBZAZTESA-N 1 1 336.480 0.773 20 30 ECEDMO CC(C)(CC#N)CS(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000331336451 437741712 /nfs/dbraw/zinc/74/17/12/437741712.db2.gz QKZXMXMISNGGCW-CQSZACIVSA-N 1 1 329.466 0.910 20 30 ECEDMO CC(C)(O)C[N@H+]1CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000364598759 437818961 /nfs/dbraw/zinc/81/89/61/437818961.db2.gz JYKQUZAOTQHXAT-UHFFFAOYSA-N 1 1 344.459 0.953 20 30 ECEDMO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCCSCC#N)C[C@@H]1O ZINC000347071427 437824869 /nfs/dbraw/zinc/82/48/69/437824869.db2.gz BGHZXQSVGWENFL-KGLIPLIRSA-N 1 1 343.493 0.952 20 30 ECEDMO C[C@@H]1C[N@H+](CCCCNC(=O)CNc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000345329144 437789383 /nfs/dbraw/zinc/78/93/83/437789383.db2.gz KBCAEPPHTATJIT-GASCZTMLSA-N 1 1 345.447 1.371 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000370478675 437791343 /nfs/dbraw/zinc/79/13/43/437791343.db2.gz WDLLTWDNHFAADU-HOTGVXAUSA-N 1 1 334.464 0.000 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000341164286 437805135 /nfs/dbraw/zinc/80/51/35/437805135.db2.gz MNWVRMQMRWBMHP-HNNXBMFYSA-N 1 1 332.404 0.957 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363855531 437807398 /nfs/dbraw/zinc/80/73/98/437807398.db2.gz OKXFINZZCLHJLH-GJZGRUSLSA-N 1 1 328.368 0.746 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000346529404 437814750 /nfs/dbraw/zinc/81/47/50/437814750.db2.gz KGOBCMISAYOQIO-QWRGUYRKSA-N 1 1 346.353 0.938 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000365182209 437869033 /nfs/dbraw/zinc/86/90/33/437869033.db2.gz GZNIWSLJPNBTPL-HOTGVXAUSA-N 1 1 348.447 0.021 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC000365241655 437879943 /nfs/dbraw/zinc/87/99/43/437879943.db2.gz RWAPWADKZWLBNJ-DLBZAZTESA-N 1 1 349.479 0.725 20 30 ECEDMO CCS(=O)(=O)N1CC[N@H+](CCC(=O)N(C)CCC#N)[C@H](C)C1 ZINC000347283513 437866068 /nfs/dbraw/zinc/86/60/68/437866068.db2.gz CLRDQVZJAWRCEA-CYBMUJFWSA-N 1 1 330.454 0.104 20 30 ECEDMO CCS(=O)(=O)N1CC[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C)C1 ZINC000347283513 437866071 /nfs/dbraw/zinc/86/60/71/437866071.db2.gz CLRDQVZJAWRCEA-CYBMUJFWSA-N 1 1 330.454 0.104 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000341887578 437917870 /nfs/dbraw/zinc/91/78/70/437917870.db2.gz CKFLKROPFRUFIE-AWEZNQCLSA-N 1 1 333.502 0.280 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000341887578 437917875 /nfs/dbraw/zinc/91/78/75/437917875.db2.gz CKFLKROPFRUFIE-AWEZNQCLSA-N 1 1 333.502 0.280 20 30 ECEDMO C[NH+]1CCN(c2ncc(CN3CCN(C4CC4)[C@@H](C#N)C3)cn2)CC1 ZINC000371328224 437920911 /nfs/dbraw/zinc/92/09/11/437920911.db2.gz SZOZCHVNTLQXJC-KRWDZBQOSA-N 1 1 341.463 0.401 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000341958024 437929719 /nfs/dbraw/zinc/92/97/19/437929719.db2.gz LTMZGUSUODIWAO-MRXNPFEDSA-N 1 1 333.392 0.952 20 30 ECEDMO C=CC[C@@H](CO)CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341842425 437909613 /nfs/dbraw/zinc/90/96/13/437909613.db2.gz QDENXDFVRLAWKP-ZIAGYGMSSA-N 1 1 326.441 0.058 20 30 ECEDMO C=CC[C@@H](CO)CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341842423 437909804 /nfs/dbraw/zinc/90/98/04/437909804.db2.gz QDENXDFVRLAWKP-KGLIPLIRSA-N 1 1 326.441 0.058 20 30 ECEDMO C=CCN1C(=O)c2ccc(C(=O)NCC[N@@H+](CC)CCO)cc2C1=O ZINC000347803193 437963588 /nfs/dbraw/zinc/96/35/88/437963588.db2.gz FFSGNEPTRYXNPP-UHFFFAOYSA-N 1 1 345.399 0.513 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000425563855 438028364 /nfs/dbraw/zinc/02/83/64/438028364.db2.gz KBEYQZQYQQRXQK-KKUMJFAQSA-N 1 1 339.436 0.856 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000425563855 438028370 /nfs/dbraw/zinc/02/83/70/438028370.db2.gz KBEYQZQYQQRXQK-KKUMJFAQSA-N 1 1 339.436 0.856 20 30 ECEDMO C=CC[N@H+](C)CCN(CC)CC(=O)N1CCC(C(=O)OC)CC1 ZINC000429720231 438104591 /nfs/dbraw/zinc/10/45/91/438104591.db2.gz VOBZJKJQRJMFMN-UHFFFAOYSA-N 1 1 325.453 0.838 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@H](C(C)C)[NH+]2CCOCC2)C1=O ZINC000348495523 438068608 /nfs/dbraw/zinc/06/86/08/438068608.db2.gz DPACTNXMZZRGOF-ZIAGYGMSSA-N 1 1 325.409 0.466 20 30 ECEDMO CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372370354 438079673 /nfs/dbraw/zinc/07/96/73/438079673.db2.gz QPVXEBFTSKRWAP-IEBWSBKVSA-N 1 1 347.507 0.895 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000430382168 438111437 /nfs/dbraw/zinc/11/14/37/438111437.db2.gz DHVQUUHERURWEQ-ZBFHGGJFSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430624981 438115080 /nfs/dbraw/zinc/11/50/80/438115080.db2.gz JRILIJATPDRZJK-INIZCTEOSA-N 1 1 334.464 0.331 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430624981 438115081 /nfs/dbraw/zinc/11/50/81/438115081.db2.gz JRILIJATPDRZJK-INIZCTEOSA-N 1 1 334.464 0.331 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C1 ZINC000372990137 438123598 /nfs/dbraw/zinc/12/35/98/438123598.db2.gz MUUIAVIGMPMPKF-AWEZNQCLSA-N 1 1 349.460 0.354 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)C1=O ZINC000366898245 438141936 /nfs/dbraw/zinc/14/19/36/438141936.db2.gz UMPSIFBLMKZWMI-QLFBSQMISA-N 1 1 345.447 0.783 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358204126 438180463 /nfs/dbraw/zinc/18/04/63/438180463.db2.gz FMUAKBBQAUZHPO-VNHYZAJKSA-N 1 1 344.481 0.430 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358204126 438180466 /nfs/dbraw/zinc/18/04/66/438180466.db2.gz FMUAKBBQAUZHPO-VNHYZAJKSA-N 1 1 344.481 0.430 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C3CC3)CC2)nn1CCC#N ZINC000367222124 438183106 /nfs/dbraw/zinc/18/31/06/438183106.db2.gz YIZUJJUAEIXKDQ-UHFFFAOYSA-N 1 1 344.419 0.740 20 30 ECEDMO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000367223876 438185045 /nfs/dbraw/zinc/18/50/45/438185045.db2.gz JMFYVXYGKDGFER-CQSZACIVSA-N 1 1 349.460 0.357 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000367131364 438168487 /nfs/dbraw/zinc/16/84/87/438168487.db2.gz QFCUUQDUQAWLDT-GJZGRUSLSA-N 1 1 344.481 0.509 20 30 ECEDMO COc1ccnc(N2CCC[N@@H+](CCC(=O)N(C)CCC#N)CC2)n1 ZINC000367503676 438216205 /nfs/dbraw/zinc/21/62/05/438216205.db2.gz VQDINGRLJSFULT-UHFFFAOYSA-N 1 1 346.435 0.759 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000374583176 438218754 /nfs/dbraw/zinc/21/87/54/438218754.db2.gz HARNITPXQBVJOV-QLFBSQMISA-N 1 1 344.481 0.386 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCOCC[C@H]3C)CC2)o1 ZINC000367667997 438234561 /nfs/dbraw/zinc/23/45/61/438234561.db2.gz XZPFFHXDZBNDGT-CYBMUJFWSA-N 1 1 347.419 0.614 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000375816241 438261329 /nfs/dbraw/zinc/26/13/29/438261329.db2.gz RCLKHXIHCYCGRQ-UHFFFAOYSA-N 1 1 325.844 0.883 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000375816241 438261333 /nfs/dbraw/zinc/26/13/33/438261333.db2.gz RCLKHXIHCYCGRQ-UHFFFAOYSA-N 1 1 325.844 0.883 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@](C)(C#N)COC)CC1=O ZINC000433973730 438274852 /nfs/dbraw/zinc/27/48/52/438274852.db2.gz YRDMUPRMTREPTP-JJRVBVJISA-N 1 1 336.436 0.364 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000376327339 438280106 /nfs/dbraw/zinc/28/01/06/438280106.db2.gz ILXCQXOWOVZFRB-OAHLLOKOSA-N 1 1 329.404 0.590 20 30 ECEDMO CCOC(=O)COCC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000351541032 438284123 /nfs/dbraw/zinc/28/41/23/438284123.db2.gz XBWZJGDEUUBDOP-CYBMUJFWSA-N 1 1 333.392 0.438 20 30 ECEDMO CCOC(=O)COCC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000351541032 438284129 /nfs/dbraw/zinc/28/41/29/438284129.db2.gz XBWZJGDEUUBDOP-CYBMUJFWSA-N 1 1 333.392 0.438 20 30 ECEDMO C[NH+](C)[C@]1(C(=O)NCCn2cnc(C#N)n2)CCOc2ccccc21 ZINC000367814027 438251723 /nfs/dbraw/zinc/25/17/23/438251723.db2.gz LQMCCQXYOVOSID-QGZVFWFLSA-N 1 1 340.387 0.506 20 30 ECEDMO C[C@H]1[C@H](NC(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000377052125 438300749 /nfs/dbraw/zinc/30/07/49/438300749.db2.gz RCOHUKNEIAAZOG-DZGCQCFKSA-N 1 1 329.404 0.588 20 30 ECEDMO CCN(C(=O)NCC(=O)NCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377071800 438302407 /nfs/dbraw/zinc/30/24/07/438302407.db2.gz LJNGZEVSVOALOG-MRXNPFEDSA-N 1 1 343.431 0.932 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2n[nH]c(C)c2C#N)CC1=O ZINC000377244773 438305790 /nfs/dbraw/zinc/30/57/90/438305790.db2.gz VRRQPEXPRHUIRW-CHWSQXEVSA-N 1 1 344.419 0.861 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(Cc2noc(C(C)C)n2)CC1 ZINC000377558881 438311646 /nfs/dbraw/zinc/31/16/46/438311646.db2.gz LSIMZDIWSHOJNX-AWEZNQCLSA-N 1 1 333.436 0.839 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(Cc2noc(C(C)C)n2)CC1 ZINC000377558881 438311649 /nfs/dbraw/zinc/31/16/49/438311649.db2.gz LSIMZDIWSHOJNX-AWEZNQCLSA-N 1 1 333.436 0.839 20 30 ECEDMO COC(=O)c1cn([C@@H]2CC[N@@H+](CCC(=O)N(C)CCC#N)C2)nn1 ZINC000368856604 438393870 /nfs/dbraw/zinc/39/38/70/438393870.db2.gz XCDULEZNWQCCBQ-GFCCVEGCSA-N 1 1 334.380 0.074 20 30 ECEDMO C[N@H+]1CC[C@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C[C@H]21 ZINC000368591788 438352007 /nfs/dbraw/zinc/35/20/07/438352007.db2.gz MWJLIFTVEJMZAP-GOEBONIOSA-N 1 1 326.400 0.841 20 30 ECEDMO CN1C(=O)CC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1=O ZINC000391205214 438438166 /nfs/dbraw/zinc/43/81/66/438438166.db2.gz RSNOQJIYCZWLLP-ZDUSSCGKSA-N 1 1 335.385 0.069 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000420312559 438397765 /nfs/dbraw/zinc/39/77/65/438397765.db2.gz HZESGVPDAYWACO-XHSDSOJGSA-N 1 1 334.464 0.354 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000420312559 438397770 /nfs/dbraw/zinc/39/77/70/438397770.db2.gz HZESGVPDAYWACO-XHSDSOJGSA-N 1 1 334.464 0.354 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352242199 438402092 /nfs/dbraw/zinc/40/20/92/438402092.db2.gz PHXXLNZGHSRPJE-LBPRGKRZSA-N 1 1 330.454 0.008 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000378602189 438408144 /nfs/dbraw/zinc/40/81/44/438408144.db2.gz WQFXBYLHUZFPHK-SFHVURJKSA-N 1 1 349.479 0.279 20 30 ECEDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000439343292 438508444 /nfs/dbraw/zinc/50/84/44/438508444.db2.gz DMLQBTNQIVCIPJ-GFCCVEGCSA-N 1 1 346.435 1.001 20 30 ECEDMO O=C(C#Cc1ccccc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000370015530 438538641 /nfs/dbraw/zinc/53/86/41/438538641.db2.gz DYRMKEZSJVMVHV-GOSISDBHSA-N 1 1 327.428 0.561 20 30 ECEDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C[C@H]1C ZINC000441116957 438577834 /nfs/dbraw/zinc/57/78/34/438577834.db2.gz LIOPSMFSQHSBQJ-OLZOCXBDSA-N 1 1 346.435 1.215 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C[C@H]1C ZINC000441116957 438577836 /nfs/dbraw/zinc/57/78/36/438577836.db2.gz LIOPSMFSQHSBQJ-OLZOCXBDSA-N 1 1 346.435 1.215 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000410512928 438594982 /nfs/dbraw/zinc/59/49/82/438594982.db2.gz LGBNMJOIZQPOQT-HOTGVXAUSA-N 1 1 349.479 0.233 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)c1 ZINC000453675194 438688549 /nfs/dbraw/zinc/68/85/49/438688549.db2.gz OUPKWKUCOLJUAO-UHFFFAOYSA-N 1 1 332.429 0.970 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000453737775 438693217 /nfs/dbraw/zinc/69/32/17/438693217.db2.gz ZUVPFVADOLSOES-UHFFFAOYSA-N 1 1 344.415 0.720 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413513882 438694150 /nfs/dbraw/zinc/69/41/50/438694150.db2.gz JBFGVRPSKPFNJZ-KKUMJFAQSA-N 1 1 339.436 0.714 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000453942126 438701959 /nfs/dbraw/zinc/70/19/59/438701959.db2.gz SKWOHCUAFLCOCP-OKILXGFUSA-N 1 1 344.415 0.719 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000453942126 438701962 /nfs/dbraw/zinc/70/19/62/438701962.db2.gz SKWOHCUAFLCOCP-OKILXGFUSA-N 1 1 344.415 0.719 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000452390553 438659133 /nfs/dbraw/zinc/65/91/33/438659133.db2.gz OORCZAUGFKIGHO-INIZCTEOSA-N 1 1 344.415 0.251 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000507244033 438807397 /nfs/dbraw/zinc/80/73/97/438807397.db2.gz PPEIFAWTZPECEU-LLVKDONJSA-N 1 1 328.294 0.331 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](CC#N)C2)CC1 ZINC000595516951 438811137 /nfs/dbraw/zinc/81/11/37/438811137.db2.gz QXCQCTAGDOOCEO-CQSZACIVSA-N 1 1 335.452 0.874 20 30 ECEDMO Cc1c(C#N)c(=O)n(CCC[NH+]2CCN(C)CC2)c(=O)n1C1CC1 ZINC000601093295 438819286 /nfs/dbraw/zinc/81/92/86/438819286.db2.gz OYELQMLEFUFLAN-UHFFFAOYSA-N 1 1 331.420 0.163 20 30 ECEDMO C[C@]1(C#N)CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000595550059 438819675 /nfs/dbraw/zinc/81/96/75/438819675.db2.gz OHDQRPHFZBFZQA-NVXWUHKLSA-N 1 1 335.452 0.338 20 30 ECEDMO N#CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000588128809 438820556 /nfs/dbraw/zinc/82/05/56/438820556.db2.gz LZMSBNRALZXXLF-INIZCTEOSA-N 1 1 347.463 0.224 20 30 ECEDMO N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000595551228 438823493 /nfs/dbraw/zinc/82/34/93/438823493.db2.gz WWEKFPIIGPWUCY-DLBZAZTESA-N 1 1 349.479 0.728 20 30 ECEDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000595665617 438842095 /nfs/dbraw/zinc/84/20/95/438842095.db2.gz ZMYDDWRTVZRYEN-SDDRHHMPSA-N 1 1 335.385 0.645 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@@H]2COCCO2)CC1 ZINC000595737041 438855260 /nfs/dbraw/zinc/85/52/60/438855260.db2.gz PPKRKLGJHQTZAE-HZPDHXFCSA-N 1 1 338.452 0.026 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2COCCO2)CC1 ZINC000595737041 438855264 /nfs/dbraw/zinc/85/52/64/438855264.db2.gz PPKRKLGJHQTZAE-HZPDHXFCSA-N 1 1 338.452 0.026 20 30 ECEDMO Cc1cc(C#N)c(=O)n(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000564966401 438897225 /nfs/dbraw/zinc/89/72/25/438897225.db2.gz NOOTZMMQFLCTED-MRXNPFEDSA-N 1 1 346.431 0.501 20 30 ECEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000563255436 438862778 /nfs/dbraw/zinc/86/27/78/438862778.db2.gz HLCYUEFCPPIBKO-LSDHHAIUSA-N 1 1 342.465 0.119 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)C1 ZINC000589221938 438863410 /nfs/dbraw/zinc/86/34/10/438863410.db2.gz VZWKOZVBXGIJCA-OAHLLOKOSA-N 1 1 340.493 0.722 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563419449 438863627 /nfs/dbraw/zinc/86/36/27/438863627.db2.gz VVAGYDSPSHXZJF-OAHLLOKOSA-N 1 1 344.481 0.653 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563415712 438864304 /nfs/dbraw/zinc/86/43/04/438864304.db2.gz FLXUGPBSKNILAH-GJZGRUSLSA-N 1 1 344.481 0.652 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590281119 438907630 /nfs/dbraw/zinc/90/76/30/438907630.db2.gz MCBYECMIQVJAAP-GXTWGEPZSA-N 1 1 328.372 0.668 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)C1 ZINC000589278637 438867670 /nfs/dbraw/zinc/86/76/70/438867670.db2.gz LCLUUXOJYHHNEU-HNNXBMFYSA-N 1 1 349.460 0.354 20 30 ECEDMO C[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000589330174 438870939 /nfs/dbraw/zinc/87/09/39/438870939.db2.gz XPJPOFSKERSKTN-ZDUSSCGKSA-N 1 1 336.417 0.047 20 30 ECEDMO C[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC[N@H+](C2CCC2)C1 ZINC000515739939 438877814 /nfs/dbraw/zinc/87/78/14/438877814.db2.gz PSLZHDCYIDHZTN-UKRRQHHQSA-N 1 1 342.465 0.262 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC1CCN(CC#N)CC1 ZINC000589637048 438880386 /nfs/dbraw/zinc/88/03/86/438880386.db2.gz AULDRIGWAMKPLX-UHFFFAOYSA-N 1 1 338.500 0.499 20 30 ECEDMO CN(CCCN(C)C(=O)NC1CCN(CC#N)CC1)CC[NH+](C)C ZINC000589637048 438880391 /nfs/dbraw/zinc/88/03/91/438880391.db2.gz AULDRIGWAMKPLX-UHFFFAOYSA-N 1 1 338.500 0.499 20 30 ECEDMO C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)[C@H]2C1 ZINC000590282631 438908006 /nfs/dbraw/zinc/90/80/06/438908006.db2.gz VWXIDVMHDHJQAC-YPMHNXCESA-N 1 1 344.419 0.611 20 30 ECEDMO C[C@@H](CNC(=O)N1CCN(CCC#N)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000601618653 438943513 /nfs/dbraw/zinc/94/35/13/438943513.db2.gz AUNXNBJVJQMVMI-HRCADAONSA-N 1 1 337.468 0.725 20 30 ECEDMO C[C@@H](CNC(=O)N1CCN(CCC#N)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000601618653 438943518 /nfs/dbraw/zinc/94/35/18/438943518.db2.gz AUNXNBJVJQMVMI-HRCADAONSA-N 1 1 337.468 0.725 20 30 ECEDMO COc1ccc(COC[C@@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000578376096 438920367 /nfs/dbraw/zinc/92/03/67/438920367.db2.gz QBLXBIIJTWLFSG-INIZCTEOSA-N 1 1 347.415 0.631 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000590557994 438932996 /nfs/dbraw/zinc/93/29/96/438932996.db2.gz KSZUIZCIMSMKSR-UHFFFAOYSA-N 1 1 345.399 0.736 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459261288 438954584 /nfs/dbraw/zinc/95/45/84/438954584.db2.gz RDRMZFRCHOYXAT-AWEZNQCLSA-N 1 1 335.452 0.874 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000590759017 438955536 /nfs/dbraw/zinc/95/55/36/438955536.db2.gz VOCVGLHDJWNWFI-OAHLLOKOSA-N 1 1 337.445 0.878 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000590759017 438955543 /nfs/dbraw/zinc/95/55/43/438955543.db2.gz VOCVGLHDJWNWFI-OAHLLOKOSA-N 1 1 337.445 0.878 20 30 ECEDMO N#CCC1(CS(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000590754909 438955844 /nfs/dbraw/zinc/95/58/44/438955844.db2.gz ZAAYDQYRCBZOKL-KGLIPLIRSA-N 1 1 327.450 0.541 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000590897861 438967234 /nfs/dbraw/zinc/96/72/34/438967234.db2.gz SBPZKIDEWUAFEZ-UHFFFAOYSA-N 1 1 343.431 0.470 20 30 ECEDMO Cn1nncc1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000596695923 438992079 /nfs/dbraw/zinc/99/20/79/438992079.db2.gz YNUPOJYHUBWDIW-UHFFFAOYSA-N 1 1 338.415 0.964 20 30 ECEDMO Cn1cc(C#N)c(=O)n(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1=O ZINC000601957105 438992726 /nfs/dbraw/zinc/99/27/26/438992726.db2.gz TYQUVXKRTYRBFH-GOSISDBHSA-N 1 1 340.383 0.056 20 30 ECEDMO N#CCCn1ccc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC000596749013 438995098 /nfs/dbraw/zinc/99/50/98/438995098.db2.gz DQOVQBJCYSTTGQ-AWEZNQCLSA-N 1 1 332.408 0.860 20 30 ECEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602196554 439037867 /nfs/dbraw/zinc/03/78/67/439037867.db2.gz XKHLIXPGZSZXRR-OAHLLOKOSA-N 1 1 342.443 0.969 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)c1 ZINC000591633787 439038453 /nfs/dbraw/zinc/03/84/53/439038453.db2.gz SONYMJAPXWFLCB-IMJJTQAJSA-N 1 1 335.429 0.824 20 30 ECEDMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)s1 ZINC000519540356 439039238 /nfs/dbraw/zinc/03/92/38/439039238.db2.gz PIYKZEGJLNICFD-MNOVXSKESA-N 1 1 326.422 0.787 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000471718228 439093255 /nfs/dbraw/zinc/09/32/55/439093255.db2.gz SNVFUHAZPXRUOL-UHFFFAOYSA-N 1 1 332.364 0.462 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000567709854 439166841 /nfs/dbraw/zinc/16/68/41/439166841.db2.gz AYJMXLWUSSUXKE-HNNXBMFYSA-N 1 1 342.403 0.679 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000602945189 439166948 /nfs/dbraw/zinc/16/69/48/439166948.db2.gz YCUCGSRJCLFINV-HNNXBMFYSA-N 1 1 346.435 0.376 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000602945189 439166951 /nfs/dbraw/zinc/16/69/51/439166951.db2.gz YCUCGSRJCLFINV-HNNXBMFYSA-N 1 1 346.435 0.376 20 30 ECEDMO COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150778 439167987 /nfs/dbraw/zinc/16/79/87/439167987.db2.gz IWKORYAEBDKGOH-DYVFJYSZSA-N 1 1 336.388 0.794 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@](O)(CC#N)C2)CC1 ZINC000591968229 439124160 /nfs/dbraw/zinc/12/41/60/439124160.db2.gz PGEZRGPXZVICTM-WBVHZDCISA-N 1 1 337.468 0.320 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856052 439144626 /nfs/dbraw/zinc/14/46/26/439144626.db2.gz JPFJNSRRIZHXPW-BARDWOONSA-N 1 1 335.452 0.017 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856052 439144630 /nfs/dbraw/zinc/14/46/30/439144630.db2.gz JPFJNSRRIZHXPW-BARDWOONSA-N 1 1 335.452 0.017 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602891581 439152778 /nfs/dbraw/zinc/15/27/78/439152778.db2.gz IXAPUYOTKGWVBU-LLVKDONJSA-N 1 1 336.358 0.957 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602903714 439156590 /nfs/dbraw/zinc/15/65/90/439156590.db2.gz ARENIQQBBQVGGN-OAHLLOKOSA-N 1 1 340.387 0.879 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602903714 439156594 /nfs/dbraw/zinc/15/65/94/439156594.db2.gz ARENIQQBBQVGGN-OAHLLOKOSA-N 1 1 340.387 0.879 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C[C@H]2CO)CC1 ZINC000602931834 439165719 /nfs/dbraw/zinc/16/57/19/439165719.db2.gz UKKPCXDQDJUMIZ-IXDOHACOSA-N 1 1 336.480 0.772 20 30 ECEDMO N#CC[C@@]1(O)CC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000592150686 439166021 /nfs/dbraw/zinc/16/60/21/439166021.db2.gz HCSRVPRAFMUYNP-WMLDXEAASA-N 1 1 344.371 0.215 20 30 ECEDMO CCS(=O)(=O)C[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000567692155 439166130 /nfs/dbraw/zinc/16/61/30/439166130.db2.gz PQQCSYARKWGMEP-LBPRGKRZSA-N 1 1 344.458 0.745 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)n(CCC#N)n1 ZINC000525888396 439222750 /nfs/dbraw/zinc/22/27/50/439222750.db2.gz QJKWFOVCYFFBLB-CQSZACIVSA-N 1 1 344.419 0.739 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000592184275 439175063 /nfs/dbraw/zinc/17/50/63/439175063.db2.gz IDQUZZRKOPKCIQ-MFKMUULPSA-N 1 1 334.342 0.747 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000592184275 439175066 /nfs/dbraw/zinc/17/50/66/439175066.db2.gz IDQUZZRKOPKCIQ-MFKMUULPSA-N 1 1 334.342 0.747 20 30 ECEDMO COC(=O)c1cccc(CN(C)CC(=O)N2CC[NH+](C)CC2)c1C#N ZINC000602989148 439179057 /nfs/dbraw/zinc/17/90/57/439179057.db2.gz FGZHLELNBBUGBQ-UHFFFAOYSA-N 1 1 344.415 0.551 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000592209028 439182128 /nfs/dbraw/zinc/18/21/28/439182128.db2.gz QGMLHOXOCOIDPI-BFHYXJOUSA-N 1 1 337.420 0.573 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000592209028 439182133 /nfs/dbraw/zinc/18/21/33/439182133.db2.gz QGMLHOXOCOIDPI-BFHYXJOUSA-N 1 1 337.420 0.573 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000592210034 439185749 /nfs/dbraw/zinc/18/57/49/439185749.db2.gz UITULSJYCBOHCO-OWCLPIDISA-N 1 1 348.399 0.348 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000603085726 439191915 /nfs/dbraw/zinc/19/19/15/439191915.db2.gz GMSDHSDNRBABEU-CKEIUWERSA-N 1 1 346.456 0.524 20 30 ECEDMO N#CCc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000592331824 439206367 /nfs/dbraw/zinc/20/63/67/439206367.db2.gz AHIQIVQMJPRRAY-HNNXBMFYSA-N 1 1 326.400 0.722 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)Cn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000603208004 439209840 /nfs/dbraw/zinc/20/98/40/439209840.db2.gz HHAHZEGBNIHWST-UKRRQHHQSA-N 1 1 334.424 0.243 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)Cn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000603208004 439209843 /nfs/dbraw/zinc/20/98/43/439209843.db2.gz HHAHZEGBNIHWST-UKRRQHHQSA-N 1 1 334.424 0.243 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000490615694 439277764 /nfs/dbraw/zinc/27/77/64/439277764.db2.gz HFESZPGUJYVXNB-CABCVRRESA-N 1 1 342.461 0.689 20 30 ECEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000598588890 439282297 /nfs/dbraw/zinc/28/22/97/439282297.db2.gz LVKNMCFGDJCWAR-MRXNPFEDSA-N 1 1 336.480 0.917 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000598588888 439283453 /nfs/dbraw/zinc/28/34/53/439283453.db2.gz LVKNMCFGDJCWAR-INIZCTEOSA-N 1 1 336.480 0.917 20 30 ECEDMO C[C@H](C#N)N(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000598129025 439230405 /nfs/dbraw/zinc/23/04/05/439230405.db2.gz RMBOLOTWWLTTBQ-ZBFHGGJFSA-N 1 1 348.447 0.603 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)ncc1C#N ZINC000568409168 439245089 /nfs/dbraw/zinc/24/50/89/439245089.db2.gz BDOVDEADQSDUJP-CQSZACIVSA-N 1 1 329.404 0.999 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)ncc1C#N ZINC000568409168 439245092 /nfs/dbraw/zinc/24/50/92/439245092.db2.gz BDOVDEADQSDUJP-CQSZACIVSA-N 1 1 329.404 0.999 20 30 ECEDMO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1=O ZINC000568502330 439252979 /nfs/dbraw/zinc/25/29/79/439252979.db2.gz PXWFDQVTNUEGDT-XPKDYRNWSA-N 1 1 347.440 0.931 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000527333255 439265767 /nfs/dbraw/zinc/26/57/67/439265767.db2.gz XVCMQHWKWKMQQK-UHFFFAOYSA-N 1 1 346.387 0.344 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000527333255 439265774 /nfs/dbraw/zinc/26/57/74/439265774.db2.gz XVCMQHWKWKMQQK-UHFFFAOYSA-N 1 1 346.387 0.344 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000491092103 439329885 /nfs/dbraw/zinc/32/98/85/439329885.db2.gz AZSJPOQALXFKKS-UHFFFAOYSA-N 1 1 338.411 0.807 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000490674693 439285030 /nfs/dbraw/zinc/28/50/30/439285030.db2.gz CLQSVJHTCWCZSG-ZFWWWQNUSA-N 1 1 349.456 0.811 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000528479463 439338106 /nfs/dbraw/zinc/33/81/06/439338106.db2.gz VNINZOFQPGWRMA-LSDHHAIUSA-N 1 1 342.465 0.452 20 30 ECEDMO CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@](O)(CC#N)C1)n2C ZINC000592844038 439287881 /nfs/dbraw/zinc/28/78/81/439287881.db2.gz AKUCNYKGHDTWHT-MRXNPFEDSA-N 1 1 328.376 0.525 20 30 ECEDMO C#CCN(CC#CC)C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000490687995 439288125 /nfs/dbraw/zinc/28/81/25/439288125.db2.gz GNBHOXGNCQAJPO-IRXDYDNUSA-N 1 1 329.444 0.804 20 30 ECEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000598620117 439289965 /nfs/dbraw/zinc/28/99/65/439289965.db2.gz YSJYMMOYIHLOBT-ZIAGYGMSSA-N 1 1 328.420 1.516 20 30 ECEDMO CC1(C)CN(C[C@H](O)COc2ccccc2C#N)CC[N@H+]1CCO ZINC000528463895 439338201 /nfs/dbraw/zinc/33/82/01/439338201.db2.gz CDOSGXXMTGIYDZ-INIZCTEOSA-N 1 1 333.432 0.686 20 30 ECEDMO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2C#N)CCN1CCO ZINC000528463895 439338205 /nfs/dbraw/zinc/33/82/05/439338205.db2.gz CDOSGXXMTGIYDZ-INIZCTEOSA-N 1 1 333.432 0.686 20 30 ECEDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCN1CCO ZINC000528463895 439338208 /nfs/dbraw/zinc/33/82/08/439338208.db2.gz CDOSGXXMTGIYDZ-INIZCTEOSA-N 1 1 333.432 0.686 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@H](CO)C2)CC1 ZINC000598648480 439296016 /nfs/dbraw/zinc/29/60/16/439296016.db2.gz SAOFHDIYCWBFBW-ULQDDVLXSA-N 1 1 336.480 0.629 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000490900155 439309428 /nfs/dbraw/zinc/30/94/28/439309428.db2.gz TYVGTCTYISLGLZ-AWEZNQCLSA-N 1 1 347.415 0.882 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490916756 439311270 /nfs/dbraw/zinc/31/12/70/439311270.db2.gz VDKOXPNMGDSPHA-ZFWWWQNUSA-N 1 1 339.461 0.303 20 30 ECEDMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000528734725 439366392 /nfs/dbraw/zinc/36/63/92/439366392.db2.gz NQZPRBHIFOTHIA-QGZVFWFLSA-N 1 1 344.415 0.262 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000491166104 439342820 /nfs/dbraw/zinc/34/28/20/439342820.db2.gz PNOIBKBTZLFHOC-UHFFFAOYSA-N 1 1 328.416 0.382 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528537814 439347704 /nfs/dbraw/zinc/34/77/04/439347704.db2.gz PDXLGHJAKNNUDO-CQSZACIVSA-N 1 1 344.481 0.652 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000491202090 439348329 /nfs/dbraw/zinc/34/83/29/439348329.db2.gz LQOBSAXBPIHKPU-IAGOWNOFSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000491202295 439348939 /nfs/dbraw/zinc/34/89/39/439348939.db2.gz NKGNUUCVBHIHLZ-CALCHBBNSA-N 1 1 348.491 0.248 20 30 ECEDMO N#Cc1ncn(CCNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000599061244 439349336 /nfs/dbraw/zinc/34/93/36/439349336.db2.gz PCVORTCPPWNSIL-CQSZACIVSA-N 1 1 331.424 0.856 20 30 ECEDMO C#C[C@H]1COCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000491339938 439368121 /nfs/dbraw/zinc/36/81/21/439368121.db2.gz UJMGCCVXTNSBTP-PNRVRQOCSA-N 1 1 348.447 0.114 20 30 ECEDMO C#CCN1C(=O)C[C@@H](N2CCC(OCC[NH+](CC)CC)CC2)C1=O ZINC000491327485 439366751 /nfs/dbraw/zinc/36/67/51/439366751.db2.gz VTRDOEFYVHVMRL-MRXNPFEDSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCC(=O)NCc1ccccc1 ZINC000491425693 439379814 /nfs/dbraw/zinc/37/98/14/439379814.db2.gz BQEGCGGPTKZOLM-UHFFFAOYSA-N 1 1 330.432 0.947 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCC2(C#N)CCCC2)CC1 ZINC000593429623 439381232 /nfs/dbraw/zinc/38/12/32/439381232.db2.gz ITPRZUJRFXDPDB-UHFFFAOYSA-N 1 1 335.452 0.876 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000491516179 439396664 /nfs/dbraw/zinc/39/66/64/439396664.db2.gz RNLJBHMOYNDDLQ-KBPBESRZSA-N 1 1 344.481 0.101 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000491622762 439411497 /nfs/dbraw/zinc/41/14/97/439411497.db2.gz FMZYWXDJUYYQIA-MRXNPFEDSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000491631521 439413680 /nfs/dbraw/zinc/41/36/80/439413680.db2.gz OITFTCHLYWXUEK-UHFFFAOYSA-N 1 1 337.445 0.426 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000491625663 439414178 /nfs/dbraw/zinc/41/41/78/439414178.db2.gz IYHXRHUUULAMQV-DLBZAZTESA-N 1 1 325.412 0.811 20 30 ECEDMO C#CCNC(=O)CC[N@H+](C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000491626612 439414690 /nfs/dbraw/zinc/41/46/90/439414690.db2.gz ITNAQNDPMDJBGJ-AWEZNQCLSA-N 1 1 343.493 0.508 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000491652463 439419344 /nfs/dbraw/zinc/41/93/44/439419344.db2.gz MCRUBOPKVGLBOG-UHFFFAOYSA-N 1 1 327.388 0.881 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)CC1 ZINC000491658200 439421284 /nfs/dbraw/zinc/42/12/84/439421284.db2.gz BAKHKHQXDJNPQY-FQEVSTJZSA-N 1 1 341.455 0.400 20 30 ECEDMO C#CCNC(=O)CC[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000491665056 439421652 /nfs/dbraw/zinc/42/16/52/439421652.db2.gz KEDIUWBFZYUKPO-UHFFFAOYSA-N 1 1 327.384 0.744 20 30 ECEDMO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599292947 439421690 /nfs/dbraw/zinc/42/16/90/439421690.db2.gz LNNYYXYCDPWXCO-KBPBESRZSA-N 1 1 332.466 0.813 20 30 ECEDMO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599292947 439421693 /nfs/dbraw/zinc/42/16/93/439421693.db2.gz LNNYYXYCDPWXCO-KBPBESRZSA-N 1 1 332.466 0.813 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000491662061 439422123 /nfs/dbraw/zinc/42/21/23/439422123.db2.gz BMLRUAFAZKUTQD-INIZCTEOSA-N 1 1 334.464 0.986 20 30 ECEDMO C#CCNC(=O)CCN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000491740869 439438946 /nfs/dbraw/zinc/43/89/46/439438946.db2.gz OYDQMLQUWKDRTD-IYBDPMFKSA-N 1 1 339.395 0.243 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000491736463 439439019 /nfs/dbraw/zinc/43/90/19/439439019.db2.gz KUSKQXAESPFITD-UHFFFAOYSA-N 1 1 326.400 0.547 20 30 ECEDMO C#CCN1C(=O)C[C@H](N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000491739197 439439788 /nfs/dbraw/zinc/43/97/88/439439788.db2.gz JBJMASODFYLPQU-INIZCTEOSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C[C@H](c3ccccn3)CC2=O)CC1 ZINC000491753821 439442850 /nfs/dbraw/zinc/44/28/50/439442850.db2.gz PWLUQYZSEUYSAS-MRXNPFEDSA-N 1 1 340.427 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000491771328 439446484 /nfs/dbraw/zinc/44/64/84/439446484.db2.gz RHGSPEIWSGEDPB-CKEIUWERSA-N 1 1 344.415 0.580 20 30 ECEDMO C[C@H](C[S@@](C)=O)[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599361790 439447879 /nfs/dbraw/zinc/44/78/79/439447879.db2.gz KWOUPZUHBFNYFH-JCQPUDPBSA-N 1 1 332.425 0.985 20 30 ECEDMO C[C@H](C[S@@](C)=O)[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599361790 439447883 /nfs/dbraw/zinc/44/78/83/439447883.db2.gz KWOUPZUHBFNYFH-JCQPUDPBSA-N 1 1 332.425 0.985 20 30 ECEDMO C#CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000491775454 439448659 /nfs/dbraw/zinc/44/86/59/439448659.db2.gz BTSOATSROKAJRY-DZGCQCFKSA-N 1 1 335.429 0.403 20 30 ECEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000583542202 439478011 /nfs/dbraw/zinc/47/80/11/439478011.db2.gz DXPABXHBRMFGNA-UHFFFAOYSA-N 1 1 335.452 0.876 20 30 ECEDMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000583542202 439478017 /nfs/dbraw/zinc/47/80/17/439478017.db2.gz DXPABXHBRMFGNA-UHFFFAOYSA-N 1 1 335.452 0.876 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000492042193 439486486 /nfs/dbraw/zinc/48/64/86/439486486.db2.gz AKKLZQWPAPLBBP-GFCCVEGCSA-N 1 1 340.424 0.939 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000492042193 439486491 /nfs/dbraw/zinc/48/64/91/439486491.db2.gz AKKLZQWPAPLBBP-GFCCVEGCSA-N 1 1 340.424 0.939 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531283264 439507030 /nfs/dbraw/zinc/50/70/30/439507030.db2.gz GLNFCAHEPHPPAE-GFCCVEGCSA-N 1 1 330.388 0.963 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000599568895 439507596 /nfs/dbraw/zinc/50/75/96/439507596.db2.gz KXJMHNQQBYDHHM-PBHICJAKSA-N 1 1 334.372 0.562 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000491811580 439456544 /nfs/dbraw/zinc/45/65/44/439456544.db2.gz DODRUKSSXZGTTP-UHFFFAOYSA-N 1 1 330.436 0.653 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1CCCC1 ZINC000491821006 439458639 /nfs/dbraw/zinc/45/86/39/439458639.db2.gz UKSWINFPEWMMEC-UHFFFAOYSA-N 1 1 335.448 0.306 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)n(CCC#N)n1 ZINC000533004964 439523290 /nfs/dbraw/zinc/52/32/90/439523290.db2.gz QBDNOILIOVNRSJ-UHFFFAOYSA-N 1 1 344.419 0.740 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000599689102 439535749 /nfs/dbraw/zinc/53/57/49/439535749.db2.gz DFQPGZFGUFWSIO-QWHCGFSZSA-N 1 1 342.465 0.199 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000599689102 439535752 /nfs/dbraw/zinc/53/57/52/439535752.db2.gz DFQPGZFGUFWSIO-QWHCGFSZSA-N 1 1 342.465 0.199 20 30 ECEDMO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000538255520 439543609 /nfs/dbraw/zinc/54/36/09/439543609.db2.gz YVXCGHRHBDMFMA-NSHDSACASA-N 1 1 336.465 0.692 20 30 ECEDMO N#CCCCOc1cccnc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599773410 439556338 /nfs/dbraw/zinc/55/63/38/439556338.db2.gz DZVICJOPVHCUPS-CYBMUJFWSA-N 1 1 333.392 0.952 20 30 ECEDMO N#CCC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000543777735 439564401 /nfs/dbraw/zinc/56/44/01/439564401.db2.gz YEPIISURGXYRJZ-HNNXBMFYSA-N 1 1 335.452 0.909 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000600070049 439608393 /nfs/dbraw/zinc/60/83/93/439608393.db2.gz WAXKPOPWOOAIQL-UHFFFAOYSA-N 1 1 345.399 0.925 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000610605430 439630783 /nfs/dbraw/zinc/63/07/83/439630783.db2.gz WMFOTWPGZLSINR-GJZGRUSLSA-N 1 1 330.388 0.202 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000610605430 439630787 /nfs/dbraw/zinc/63/07/87/439630787.db2.gz WMFOTWPGZLSINR-GJZGRUSLSA-N 1 1 330.388 0.202 20 30 ECEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000610662024 439635761 /nfs/dbraw/zinc/63/57/61/439635761.db2.gz URPKZIXSBVPXFC-HZPDHXFCSA-N 1 1 342.509 0.824 20 30 ECEDMO CCN(C(=O)C(=O)NCc1ccc(CC#N)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000595196570 439672295 /nfs/dbraw/zinc/67/22/95/439672295.db2.gz LKYQJKWJIXJSPI-MRXNPFEDSA-N 1 1 328.416 0.921 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000610906919 439655797 /nfs/dbraw/zinc/65/57/97/439655797.db2.gz JSGRELKAKDOVFU-WFASDCNBSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000610906919 439655800 /nfs/dbraw/zinc/65/58/00/439655800.db2.gz JSGRELKAKDOVFU-WFASDCNBSA-N 1 1 330.388 0.641 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000600825028 439706753 /nfs/dbraw/zinc/70/67/53/439706753.db2.gz RIZWPVUEXUHVGF-ZDUSSCGKSA-N 1 1 328.420 0.870 20 30 ECEDMO N#CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000611620017 439711896 /nfs/dbraw/zinc/71/18/96/439711896.db2.gz GEAWNGXOPGLLAN-QGZVFWFLSA-N 1 1 349.479 0.728 20 30 ECEDMO CN1CC(=O)N(CC[N@H+]2CCCN(c3ccccc3C#N)CC2)C1=O ZINC000595299558 439692433 /nfs/dbraw/zinc/69/24/33/439692433.db2.gz UFBKNPTXICSSKG-UHFFFAOYSA-N 1 1 341.415 0.964 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000613790148 439764032 /nfs/dbraw/zinc/76/40/32/439764032.db2.gz KKEURZFUWWFILZ-ZFWWWQNUSA-N 1 1 325.453 0.761 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CC[C@](F)(C#N)C1)N1CC[NH+](C)CC1 ZINC000615578199 439802810 /nfs/dbraw/zinc/80/28/10/439802810.db2.gz ZMXQTKVGHSJLFP-HOCLYGCPSA-N 1 1 325.432 0.906 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)c1C#N ZINC000615954464 439809960 /nfs/dbraw/zinc/80/99/60/439809960.db2.gz NBIWAKKTWWBEHL-AWEZNQCLSA-N 1 1 345.451 0.526 20 30 ECEDMO C=CCCOCC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641666296 439881236 /nfs/dbraw/zinc/88/12/36/439881236.db2.gz CEIOMWJBYZTZET-INIZCTEOSA-N 1 1 325.453 0.492 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000648760911 440322515 /nfs/dbraw/zinc/32/25/15/440322515.db2.gz ULYKFUUGTPWSAK-CQSZACIVSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000666926123 440712032 /nfs/dbraw/zinc/71/20/32/440712032.db2.gz JLIJPMXYIQUFMD-OAHLLOKOSA-N 1 1 337.468 0.100 20 30 ECEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639616946 440749556 /nfs/dbraw/zinc/74/95/56/440749556.db2.gz NNDDRYQZNQQJTO-AWEZNQCLSA-N 1 1 329.466 0.567 20 30 ECEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639616946 440749560 /nfs/dbraw/zinc/74/95/60/440749560.db2.gz NNDDRYQZNQQJTO-AWEZNQCLSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CC[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C(C)(C)C ZINC000639830065 440795504 /nfs/dbraw/zinc/79/55/04/440795504.db2.gz ZIXUEOJDKHTZGX-UHFFFAOYSA-N 1 1 331.482 0.813 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001077991309 782090809 /nfs/dbraw/zinc/09/08/09/782090809.db2.gz NSUDUTIJMOEIRB-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO N#Cc1cccnc1-n1cc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000546605200 322118664 /nfs/dbraw/zinc/11/86/64/322118664.db2.gz SWIDGWUJMZVXJS-OAHLLOKOSA-N 1 1 337.387 0.467 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCn2cnc(C#N)n2)C[C@H](C)O1 ZINC000561927563 322264635 /nfs/dbraw/zinc/26/46/35/322264635.db2.gz AOBWTAMUIZIPOK-BETUJISGSA-N 1 1 349.439 0.337 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCn2cnc(C#N)n2)C[C@H](C)O1 ZINC000561927563 322264637 /nfs/dbraw/zinc/26/46/37/322264637.db2.gz AOBWTAMUIZIPOK-BETUJISGSA-N 1 1 349.439 0.337 20 30 ECEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000563106618 322298652 /nfs/dbraw/zinc/29/86/52/322298652.db2.gz YSZGDNLBAHHAEK-KGLIPLIRSA-N 1 1 327.388 0.977 20 30 ECEDMO N#Cc1cnn2c1NC[C@@H](C[N@H+]1CCO[C@@H](COCC3CC3)C1)C2 ZINC000563149674 322301686 /nfs/dbraw/zinc/30/16/86/322301686.db2.gz KRACBXITJVEHAV-GOEBONIOSA-N 1 1 331.420 0.924 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001078021971 782155130 /nfs/dbraw/zinc/15/51/30/782155130.db2.gz QLGMNCNLNYUHCE-HZPDHXFCSA-N 1 1 331.416 0.739 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000329205780 546016657 /nfs/dbraw/zinc/01/66/57/546016657.db2.gz DNTSGTYIHCGASF-OAHLLOKOSA-N 1 1 346.435 0.992 20 30 ECEDMO CS(=O)(=O)N[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000329644089 546030001 /nfs/dbraw/zinc/03/00/01/546030001.db2.gz JAKPSTCJSWXOHE-UPJWGTAASA-N 1 1 330.454 0.151 20 30 ECEDMO C=C(CNC(=O)[C@@H]1CCCCN1C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000620747678 546449883 /nfs/dbraw/zinc/44/98/83/546449883.db2.gz FIFULRWLGFMDMJ-HOTGVXAUSA-N 1 1 336.480 0.744 20 30 ECEDMO C=C(CNC(=O)[C@@H]1CCCCN1C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000620747678 546449887 /nfs/dbraw/zinc/44/98/87/546449887.db2.gz FIFULRWLGFMDMJ-HOTGVXAUSA-N 1 1 336.480 0.744 20 30 ECEDMO Cn1cc([C@H](CO)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)cn1 ZINC000625325795 547070036 /nfs/dbraw/zinc/07/00/36/547070036.db2.gz ZTOSYMYDJVMLRS-INIZCTEOSA-N 1 1 338.367 0.343 20 30 ECEDMO NC(=O)C[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000625431167 547099524 /nfs/dbraw/zinc/09/95/24/547099524.db2.gz AQHRLWVWCFUGDV-ZDUSSCGKSA-N 1 1 325.368 0.483 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](CC)OC)C[C@H]1O ZINC001078027816 782169962 /nfs/dbraw/zinc/16/99/62/782169962.db2.gz JNFYNHLCUFTONA-FVQBIDKESA-N 1 1 347.415 0.294 20 30 ECEDMO C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000669331994 547877901 /nfs/dbraw/zinc/87/79/01/547877901.db2.gz UHOWQYFMCUMMOQ-ZDUSSCGKSA-N 1 1 344.423 0.171 20 30 ECEDMO C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000669331994 547877903 /nfs/dbraw/zinc/87/79/03/547877903.db2.gz UHOWQYFMCUMMOQ-ZDUSSCGKSA-N 1 1 344.423 0.171 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640774 548364794 /nfs/dbraw/zinc/36/47/94/548364794.db2.gz ZOTCUDPORXKOIF-OAHLLOKOSA-N 1 1 334.464 0.472 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640774 548364797 /nfs/dbraw/zinc/36/47/97/548364797.db2.gz ZOTCUDPORXKOIF-OAHLLOKOSA-N 1 1 334.464 0.472 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)nc1 ZINC001078030355 782174577 /nfs/dbraw/zinc/17/45/77/782174577.db2.gz VLKUHMXKGLJVMH-KBAYOESNSA-N 1 1 343.427 0.797 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001041775728 782178200 /nfs/dbraw/zinc/17/82/00/782178200.db2.gz SLEGQNSZINBRSA-KRWDZBQOSA-N 1 1 334.420 0.429 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@H]2O)cn1 ZINC001078032361 782179869 /nfs/dbraw/zinc/17/98/69/782179869.db2.gz KETHHVQTABEOFE-KURKYZTESA-N 1 1 343.427 0.653 20 30 ECEDMO C#CCOCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000753377544 579399893 /nfs/dbraw/zinc/39/98/93/579399893.db2.gz HQZNIZCNBMEMCS-ROUUACIJSA-N 1 1 345.443 0.818 20 30 ECEDMO C[C@H](NC(=O)CCNC(O)=C1N=CC=CC1=O)C(C)(C)C[NH+](C)C ZINC000754318001 579416263 /nfs/dbraw/zinc/41/62/63/579416263.db2.gz NLKRJNJAFQPRMN-VVLLMFOMSA-N 1 1 336.436 0.995 20 30 ECEDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cccc(S(N)(=O)=O)c1C#N ZINC000754994066 579427530 /nfs/dbraw/zinc/42/75/30/579427530.db2.gz VDIHFBZEHWMEGN-LBPRGKRZSA-N 1 1 337.449 0.253 20 30 ECEDMO CCC1N=NC(=S)N1N=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755508740 579434356 /nfs/dbraw/zinc/43/43/56/579434356.db2.gz QXAKRTNZADHKER-UHFFFAOYSA-N 1 1 332.437 0.553 20 30 ECEDMO C[NH+]1CCN(c2ncc(C=[NH+][N-]c3ncnc4[nH]cnc43)cn2)CC1 ZINC000755660669 579436523 /nfs/dbraw/zinc/43/65/23/579436523.db2.gz IWALSOFWPBWKER-UHFFFAOYSA-N 1 1 338.379 0.341 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000757685236 579463229 /nfs/dbraw/zinc/46/32/29/579463229.db2.gz JWGWUPQMTAWHEG-CXSGWTGMSA-N 1 1 347.419 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)Cn1nnc2ccccc2c1=O ZINC000729809554 578298964 /nfs/dbraw/zinc/29/89/64/578298964.db2.gz LRUAEMNNAOYAEM-ZDUSSCGKSA-N 1 1 326.356 0.432 20 30 ECEDMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cn1 ZINC000730074853 578302729 /nfs/dbraw/zinc/30/27/29/578302729.db2.gz XOYJSSHYNQVFHB-ZDUSSCGKSA-N 1 1 340.343 0.265 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000730104864 578303401 /nfs/dbraw/zinc/30/34/01/578303401.db2.gz VPIPMRCOQBZVDO-HOTGVXAUSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000730104864 578303402 /nfs/dbraw/zinc/30/34/02/578303402.db2.gz VPIPMRCOQBZVDO-HOTGVXAUSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000730279037 578304588 /nfs/dbraw/zinc/30/45/88/578304588.db2.gz SAPRCAHUEMLVFJ-ZDUSSCGKSA-N 1 1 347.444 0.813 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000730279037 578304589 /nfs/dbraw/zinc/30/45/89/578304589.db2.gz SAPRCAHUEMLVFJ-ZDUSSCGKSA-N 1 1 347.444 0.813 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccc(OCC#N)cc1 ZINC000732247748 578321718 /nfs/dbraw/zinc/32/17/18/578321718.db2.gz QOGBKZPFJJEKRR-OAHLLOKOSA-N 1 1 331.420 0.634 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000732448036 578325451 /nfs/dbraw/zinc/32/54/51/578325451.db2.gz MTFMLDPELRAAIN-QVDVFPETSA-N 1 1 347.419 0.439 20 30 ECEDMO O=C(NCCNC(=O)N1CC[NH+](C2CC2)CC1)C1N=CC=CC1=O ZINC000732467483 578326025 /nfs/dbraw/zinc/32/60/25/578326025.db2.gz YDBVSKDDQDZOOL-CCEZHUSRSA-N 1 1 333.392 0.002 20 30 ECEDMO CC(C)[N@H+]1CCCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000732468094 578326065 /nfs/dbraw/zinc/32/60/65/578326065.db2.gz BPDYJUPYDHCBMG-NXVVXOECSA-N 1 1 349.435 0.639 20 30 ECEDMO CCOCCC[N@H+]1CCC(=NNC(=S)NCC(N)=O)[C@@H](C)C1 ZINC000735229996 578380564 /nfs/dbraw/zinc/38/05/64/578380564.db2.gz VSBGNSNZBYXCEX-NSHDSACASA-N 1 1 329.470 0.060 20 30 ECEDMO CNC(=O)[C@@]1(C)CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000797526178 578634415 /nfs/dbraw/zinc/63/44/15/578634415.db2.gz YPRAKFAMSFKCTH-SFHVURJKSA-N 1 1 339.399 0.878 20 30 ECEDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000797526178 578634416 /nfs/dbraw/zinc/63/44/16/578634416.db2.gz YPRAKFAMSFKCTH-SFHVURJKSA-N 1 1 339.399 0.878 20 30 ECEDMO C#C[C@H]([NH2+]Cc1c(C)nn(CCS(C)(=O)=O)c1C)[C@H]1CCCO1 ZINC000797983922 578637380 /nfs/dbraw/zinc/63/73/80/578637380.db2.gz LIFSQAXWPDLFIP-JKSUJKDBSA-N 1 1 339.461 0.815 20 30 ECEDMO C#C[C@@H]([NH2+]Cc1c(C)nn(CCS(C)(=O)=O)c1C)[C@@H]1CCCO1 ZINC000797983916 578637462 /nfs/dbraw/zinc/63/74/62/578637462.db2.gz LIFSQAXWPDLFIP-CVEARBPZSA-N 1 1 339.461 0.815 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000798398546 578645035 /nfs/dbraw/zinc/64/50/35/578645035.db2.gz XCQAINGZJJGLTR-CABCVRRESA-N 1 1 338.452 0.003 20 30 ECEDMO COC(=O)COc1ccc(C=NNCCC[NH+]2CCOCC2)cc1 ZINC000799487658 578666029 /nfs/dbraw/zinc/66/60/29/578666029.db2.gz WZBHMRLHKJZYFP-UHFFFAOYSA-N 1 1 335.404 0.884 20 30 ECEDMO C[C@H]1CN(C(=O)NCc2ccc(C#N)cn2)CC[N@H+]1CC(C)(C)O ZINC000780643042 578698328 /nfs/dbraw/zinc/69/83/28/578698328.db2.gz LCUSKQGDTRVGTB-ZDUSSCGKSA-N 1 1 331.420 0.940 20 30 ECEDMO C[N@H+]1CCCN(CCCNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780939011 578703288 /nfs/dbraw/zinc/70/32/88/578703288.db2.gz GPDHLKNKLGJHDM-KRWDZBQOSA-N 1 1 330.432 0.735 20 30 ECEDMO CN1CCC[N@H+](CCCNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780939011 578703289 /nfs/dbraw/zinc/70/32/89/578703289.db2.gz GPDHLKNKLGJHDM-KRWDZBQOSA-N 1 1 330.432 0.735 20 30 ECEDMO CN1CCC[N@@H+](CCCNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780939011 578703291 /nfs/dbraw/zinc/70/32/91/578703291.db2.gz GPDHLKNKLGJHDM-KRWDZBQOSA-N 1 1 330.432 0.735 20 30 ECEDMO Cn1cc(C[C@@H]2CC(=O)N(C[NH+]3CCC(CC#N)CC3)C2=O)cn1 ZINC000781572447 578711638 /nfs/dbraw/zinc/71/16/38/578711638.db2.gz SEGBXRUWBIDHIH-OAHLLOKOSA-N 1 1 329.404 0.921 20 30 ECEDMO C=CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)C(C)C ZINC000786629997 578791304 /nfs/dbraw/zinc/79/13/04/578791304.db2.gz VEOAERPMXSQDDQ-MRXNPFEDSA-N 1 1 338.496 0.798 20 30 ECEDMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(OCC#N)c3)C[C@H]2C1 ZINC000787599695 578810449 /nfs/dbraw/zinc/81/04/49/578810449.db2.gz VYBTWRDFXJFWLP-BETUJISGSA-N 1 1 328.372 0.547 20 30 ECEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCNc1ncccc1C#N ZINC000787776453 578817021 /nfs/dbraw/zinc/81/70/21/578817021.db2.gz GJPLMPJIFLWPQW-ZDUSSCGKSA-N 1 1 346.435 0.328 20 30 ECEDMO COc1nccnc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000792904246 578917237 /nfs/dbraw/zinc/91/72/37/578917237.db2.gz DFSDPOFZTXLZKZ-UHFFFAOYSA-N 1 1 338.437 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(N2CCOCC2)CC(OCC)C1 ZINC000768067693 579121228 /nfs/dbraw/zinc/12/12/28/579121228.db2.gz ILJDKAZBLFJVEC-HFCFLWKCSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(N2CCOCC2)CC(OCC)C1 ZINC000768067693 579121229 /nfs/dbraw/zinc/12/12/29/579121229.db2.gz ILJDKAZBLFJVEC-HFCFLWKCSA-N 1 1 349.475 0.470 20 30 ECEDMO C=CCNc1ncc(C(=O)NC2CC[NH+](CC(=O)NC)CC2)s1 ZINC000770990772 579181433 /nfs/dbraw/zinc/18/14/33/579181433.db2.gz RGNWEDGTBYSZGW-UHFFFAOYSA-N 1 1 337.449 0.681 20 30 ECEDMO C#CCN(C(=O)NC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000774177426 579241839 /nfs/dbraw/zinc/24/18/39/579241839.db2.gz IDHSNKMHEPTEBR-HUUCEWRRSA-N 1 1 341.477 0.693 20 30 ECEDMO C#CCN(C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000774177427 579241898 /nfs/dbraw/zinc/24/18/98/579241898.db2.gz IDHSNKMHEPTEBR-LSDHHAIUSA-N 1 1 341.477 0.693 20 30 ECEDMO C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000775189068 579263863 /nfs/dbraw/zinc/26/38/63/579263863.db2.gz GMUUHHFYTNQRCX-CYBMUJFWSA-N 1 1 343.387 0.815 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000775806488 579271659 /nfs/dbraw/zinc/27/16/59/579271659.db2.gz LUIRVPISZIRSMN-UONOGXRCSA-N 1 1 337.401 0.043 20 30 ECEDMO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000761120951 579522167 /nfs/dbraw/zinc/52/21/67/579522167.db2.gz DACOILDAIPKFSC-LLVKDONJSA-N 1 1 334.351 0.734 20 30 ECEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762700197 579546068 /nfs/dbraw/zinc/54/60/68/579546068.db2.gz LLDKMXWWJYBQST-PXAZEXFGSA-N 1 1 346.387 0.099 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763702544 579564166 /nfs/dbraw/zinc/56/41/66/579564166.db2.gz YQAKFUQLFJPQMD-OLZOCXBDSA-N 1 1 327.388 0.954 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763702544 579564168 /nfs/dbraw/zinc/56/41/68/579564168.db2.gz YQAKFUQLFJPQMD-OLZOCXBDSA-N 1 1 327.388 0.954 20 30 ECEDMO C#CCC[NH+]1CCC(NC(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC000740736381 579761150 /nfs/dbraw/zinc/76/11/50/579761150.db2.gz RLKITCAYSXTNEC-UHFFFAOYSA-N 1 1 326.462 0.948 20 30 ECEDMO COc1cc(C=NN2CC[NH+](C)CC2)cc(Cl)c1OCC(N)=O ZINC000745983848 579830226 /nfs/dbraw/zinc/83/02/26/579830226.db2.gz GRWDIUIDUOAOJR-UHFFFAOYSA-N 1 1 340.811 0.794 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000836489453 588931660 /nfs/dbraw/zinc/93/16/60/588931660.db2.gz ZYRJZNFCMGACMB-HIFRSBDPSA-N 1 1 346.435 0.168 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)nc1 ZINC000837565561 588955454 /nfs/dbraw/zinc/95/54/54/588955454.db2.gz DANPTRMCFFMXSB-HNNXBMFYSA-N 1 1 346.435 0.511 20 30 ECEDMO C[C@@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)C[C@H](C)[N@@H+]1CCO ZINC000837567085 588955521 /nfs/dbraw/zinc/95/55/21/588955521.db2.gz NEBDIFNOXBPBMB-OKILXGFUSA-N 1 1 346.435 0.462 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCNc1ncccc1C#N ZINC000842174172 589016884 /nfs/dbraw/zinc/01/68/84/589016884.db2.gz ADTLKTRXKIWXGU-UONOGXRCSA-N 1 1 346.435 0.462 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCC#C[C@@H]2CCCCO2)CC1 ZINC000891879425 586202782 /nfs/dbraw/zinc/20/27/82/586202782.db2.gz RAASXHLANDCGQG-HNNXBMFYSA-N 1 1 336.436 0.022 20 30 ECEDMO C[C@]1(C#N)CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000895846059 586208743 /nfs/dbraw/zinc/20/87/43/586208743.db2.gz XHJKHLNBUARYQY-INMHGKMJSA-N 1 1 348.447 0.954 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000895915904 586212628 /nfs/dbraw/zinc/21/26/28/586212628.db2.gz OPRPHGIROSQWJJ-UHFFFAOYSA-N 1 1 332.429 0.753 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896577335 586259687 /nfs/dbraw/zinc/25/96/87/586259687.db2.gz NMAJKIDJZADVQA-HIFRSBDPSA-N 1 1 346.431 0.696 20 30 ECEDMO CC(C)(O)[C@@H](O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000900046391 586520902 /nfs/dbraw/zinc/52/09/02/586520902.db2.gz YQMDDRZRBWDHCE-INIZCTEOSA-N 1 1 331.416 0.724 20 30 ECEDMO CC(C)(O)[C@@H](O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000900046391 586520904 /nfs/dbraw/zinc/52/09/04/586520904.db2.gz YQMDDRZRBWDHCE-INIZCTEOSA-N 1 1 331.416 0.724 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000843252147 589056501 /nfs/dbraw/zinc/05/65/01/589056501.db2.gz UQQYXOYCBYUKDX-GASCZTMLSA-N 1 1 341.452 0.215 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000843252147 589056503 /nfs/dbraw/zinc/05/65/03/589056503.db2.gz UQQYXOYCBYUKDX-GASCZTMLSA-N 1 1 341.452 0.215 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000843251191 589056548 /nfs/dbraw/zinc/05/65/48/589056548.db2.gz RGYZVQNBZZAJJR-OAHLLOKOSA-N 1 1 335.448 0.163 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900585317 586647840 /nfs/dbraw/zinc/64/78/40/586647840.db2.gz MOPPGZUEJRIAIO-DLBZAZTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1)[C@@H]1CCCO1 ZINC000838557419 586814223 /nfs/dbraw/zinc/81/42/23/586814223.db2.gz BEWANJZVJYGPDO-CVEARBPZSA-N 1 1 336.480 0.883 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1)c1ccncc1 ZINC000804901643 586862442 /nfs/dbraw/zinc/86/24/42/586862442.db2.gz XTTCODMGTZRFNE-HOTGVXAUSA-N 1 1 346.431 0.652 20 30 ECEDMO C#CCCCS(=O)(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000805009617 586872201 /nfs/dbraw/zinc/87/22/01/586872201.db2.gz TWCHEJFPMOWRGM-QGZVFWFLSA-N 1 1 336.457 0.738 20 30 ECEDMO C#CCCCS(=O)(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000805009617 586872205 /nfs/dbraw/zinc/87/22/05/586872205.db2.gz TWCHEJFPMOWRGM-QGZVFWFLSA-N 1 1 336.457 0.738 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000757153282 586877537 /nfs/dbraw/zinc/87/75/37/586877537.db2.gz XSCQWTYCNXGXMK-CQSZACIVSA-N 1 1 344.419 0.108 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000906649565 586961602 /nfs/dbraw/zinc/96/16/02/586961602.db2.gz GBGKHVTZHRAGSD-WKSPDDFDSA-N 1 1 334.420 0.751 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)NCCCN2CCC[N@H+](C)CC2)cc1 ZINC000907387523 587039702 /nfs/dbraw/zinc/03/97/02/587039702.db2.gz BFPMAHXXCHURAL-UHFFFAOYSA-N 1 1 335.473 0.974 20 30 ECEDMO C=C(CO)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804448915 587085549 /nfs/dbraw/zinc/08/55/49/587085549.db2.gz RRVSUYAAAGRXLB-SFHVURJKSA-N 1 1 329.444 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000804499569 587086405 /nfs/dbraw/zinc/08/64/05/587086405.db2.gz KMHHEBKRKBPMRQ-ILXRZTDVSA-N 1 1 341.477 0.308 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000804499569 587086407 /nfs/dbraw/zinc/08/64/07/587086407.db2.gz KMHHEBKRKBPMRQ-ILXRZTDVSA-N 1 1 341.477 0.308 20 30 ECEDMO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)(C)C ZINC000808282110 587152099 /nfs/dbraw/zinc/15/20/99/587152099.db2.gz WQAAJWKEXWNEMR-CVEARBPZSA-N 1 1 336.480 0.740 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000808776555 587161605 /nfs/dbraw/zinc/16/16/05/587161605.db2.gz WNBIKJXLZBTWIC-ZDUSSCGKSA-N 1 1 329.466 0.118 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)[C@@H]1CCCO1 ZINC000809309585 587174323 /nfs/dbraw/zinc/17/43/23/587174323.db2.gz NRWZESHPCBXRCQ-JYJNAYRXSA-N 1 1 335.448 0.474 20 30 ECEDMO C[C@H](O)C[N@@H+](CCO)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000810040358 587188307 /nfs/dbraw/zinc/18/83/07/587188307.db2.gz QJZDVMLQWRBWAY-JSGCOSHPSA-N 1 1 340.383 0.899 20 30 ECEDMO CCc1ccc(C#CC(=O)NC2CC[NH+](CC(=O)NC)CC2)cc1 ZINC000814485444 587275592 /nfs/dbraw/zinc/27/55/92/587275592.db2.gz MSSLDGPRURANOZ-UHFFFAOYSA-N 1 1 327.428 0.927 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC[N@H+](C2CCC2)C1 ZINC000815733050 587297417 /nfs/dbraw/zinc/29/74/17/587297417.db2.gz DUOSJTRRWUOHQS-ZDUSSCGKSA-N 1 1 344.419 0.678 20 30 ECEDMO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H](C)C#N)CC2)cc1 ZINC000819046930 587465682 /nfs/dbraw/zinc/46/56/82/587465682.db2.gz FXSRZYLFZOXSRK-DOTOQJQBSA-N 1 1 332.448 0.927 20 30 ECEDMO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)[C@@H](C#N)C1 ZINC000819230226 587473169 /nfs/dbraw/zinc/47/31/69/587473169.db2.gz SSBAWPYVYLRQCF-IHRRRGAJSA-N 1 1 335.408 0.593 20 30 ECEDMO C[N@H+]1C[C@@H]2CCCN(C(=O)CCNC(=O)C3N=CC=CC3=O)[C@@H]2C1 ZINC000819717232 587487111 /nfs/dbraw/zinc/48/71/11/587487111.db2.gz FMQHULQKHYHVTM-UXCNFHJLSA-N 1 1 332.404 0.456 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(=O)n(C)cc1Br ZINC000820688655 587550194 /nfs/dbraw/zinc/55/01/94/587550194.db2.gz XKVPAVGLDKUTTL-UHFFFAOYSA-N 1 1 340.221 0.833 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)cc2OC)CC[N@H+](C)C1 ZINC000822630959 587670659 /nfs/dbraw/zinc/67/06/59/587670659.db2.gz MIDUHKVINNBEPO-ZDUSSCGKSA-N 1 1 331.372 0.744 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)cc2OC)CC[N@@H+](C)C1 ZINC000822630959 587670660 /nfs/dbraw/zinc/67/06/60/587670660.db2.gz MIDUHKVINNBEPO-ZDUSSCGKSA-N 1 1 331.372 0.744 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823845450 587745501 /nfs/dbraw/zinc/74/55/01/587745501.db2.gz SNKXYOFQSOXOHH-UHFFFAOYSA-N 1 1 339.403 0.446 20 30 ECEDMO CON=C(C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1csc(N)n1 ZINC000824910123 587903000 /nfs/dbraw/zinc/90/30/00/587903000.db2.gz GJQKYHYFRQDDGF-JTQLQIEISA-N 1 1 325.438 0.924 20 30 ECEDMO C#CC1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000826079399 587988579 /nfs/dbraw/zinc/98/85/79/587988579.db2.gz GDFUYRJEXZDEII-MRXNPFEDSA-N 1 1 334.464 0.984 20 30 ECEDMO CCN(C(=O)C(=O)NCc1ccc(OC)c(C#N)c1)[C@H]1CC[N@@H+](C)C1 ZINC000829352217 588322284 /nfs/dbraw/zinc/32/22/84/588322284.db2.gz ZMNMWVFZCRFZLX-HNNXBMFYSA-N 1 1 344.415 0.736 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000829773759 588340974 /nfs/dbraw/zinc/34/09/74/588340974.db2.gz SUWOUURNNCHYOV-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000829799100 588342342 /nfs/dbraw/zinc/34/23/42/588342342.db2.gz KDBKMEXQXXJVTR-INIZCTEOSA-N 1 1 343.427 0.902 20 30 ECEDMO CN(C[C@](C)(O)C[N@H+]1CC[C@@](O)(CC#N)C1)C(=O)OC(C)(C)C ZINC000844345349 589109013 /nfs/dbraw/zinc/10/90/13/589109013.db2.gz ANOGRKKCCYLNAX-HOTGVXAUSA-N 1 1 327.425 0.955 20 30 ECEDMO CN(C[C@@](C)(O)C[N@H+]1CC[C@@](O)(CC#N)C1)C(=O)OC(C)(C)C ZINC000844345345 589109080 /nfs/dbraw/zinc/10/90/80/589109080.db2.gz ANOGRKKCCYLNAX-CVEARBPZSA-N 1 1 327.425 0.955 20 30 ECEDMO C[C@H](NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000845064228 589130342 /nfs/dbraw/zinc/13/03/42/589130342.db2.gz FXDODPOSORIITM-RRQGHBQHSA-N 1 1 346.431 0.952 20 30 ECEDMO C[C@H](NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000845064228 589130344 /nfs/dbraw/zinc/13/03/44/589130344.db2.gz FXDODPOSORIITM-RRQGHBQHSA-N 1 1 346.431 0.952 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000845842313 589172681 /nfs/dbraw/zinc/17/26/81/589172681.db2.gz TYODWLMOWFJKSP-MNOVXSKESA-N 1 1 327.431 0.761 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000845842313 589172682 /nfs/dbraw/zinc/17/26/82/589172682.db2.gz TYODWLMOWFJKSP-MNOVXSKESA-N 1 1 327.431 0.761 20 30 ECEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000847027761 589233298 /nfs/dbraw/zinc/23/32/98/589233298.db2.gz CTOYQSHEEGISQD-HOTGVXAUSA-N 1 1 327.432 0.859 20 30 ECEDMO C#C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000847024671 589233361 /nfs/dbraw/zinc/23/33/61/589233361.db2.gz RLQPLYMWSOFBPO-INIZCTEOSA-N 1 1 327.432 0.861 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000850709945 589381273 /nfs/dbraw/zinc/38/12/73/589381273.db2.gz NDWHUXKPYQHKOA-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC000852359348 589492160 /nfs/dbraw/zinc/49/21/60/589492160.db2.gz HKWVNWSWUAJSBI-HNNXBMFYSA-N 1 1 335.452 0.531 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000852432215 589495975 /nfs/dbraw/zinc/49/59/75/589495975.db2.gz JFXWHDLYIRWOQR-HNNXBMFYSA-N 1 1 328.372 0.701 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000852432215 589495976 /nfs/dbraw/zinc/49/59/76/589495976.db2.gz JFXWHDLYIRWOQR-HNNXBMFYSA-N 1 1 328.372 0.701 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@@H](COC)c2cccc(OC)c2)CC1 ZINC000852446664 589497138 /nfs/dbraw/zinc/49/71/38/589497138.db2.gz QDJPDUKNCYFCIB-SFHVURJKSA-N 1 1 345.443 0.750 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000852752789 589510435 /nfs/dbraw/zinc/51/04/35/589510435.db2.gz LTBMYKFQRYZNRF-OAHLLOKOSA-N 1 1 332.400 0.914 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000852752789 589510437 /nfs/dbraw/zinc/51/04/37/589510437.db2.gz LTBMYKFQRYZNRF-OAHLLOKOSA-N 1 1 332.400 0.914 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000853712050 589556066 /nfs/dbraw/zinc/55/60/66/589556066.db2.gz FMLHCXGSUXZQLU-DKASORFFSA-N 1 1 349.435 0.685 20 30 ECEDMO C#CCCN(CCOC)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000853786683 589558877 /nfs/dbraw/zinc/55/88/77/589558877.db2.gz MQASVZQBPGHYDO-KRWDZBQOSA-N 1 1 338.496 0.941 20 30 ECEDMO C=CCn1c(Cc2noc([C@@H](CC)[NH2+]C)n2)nnc1N1CCOCC1 ZINC000854145392 589572973 /nfs/dbraw/zinc/57/29/73/589572973.db2.gz HWGWZBHDFOKPAH-GFCCVEGCSA-N 1 1 347.423 0.945 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCC(=O)N(C)OCC(F)(F)F ZINC000856998265 589682819 /nfs/dbraw/zinc/68/28/19/589682819.db2.gz OYRMLEPVQKNHMX-UHFFFAOYSA-N 1 1 338.330 0.193 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](O)c2ccnn2C)CC1 ZINC000857368026 589694928 /nfs/dbraw/zinc/69/49/28/589694928.db2.gz XZUQZUBJDQQQIA-IRXDYDNUSA-N 1 1 330.432 0.790 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](O)c2ccnn2C)CC1 ZINC000857368026 589694930 /nfs/dbraw/zinc/69/49/30/589694930.db2.gz XZUQZUBJDQQQIA-IRXDYDNUSA-N 1 1 330.432 0.790 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860093155 589744284 /nfs/dbraw/zinc/74/42/84/589744284.db2.gz SRRLXZSDKYSELD-NSHDSACASA-N 1 1 328.413 0.843 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860093155 589744288 /nfs/dbraw/zinc/74/42/88/589744288.db2.gz SRRLXZSDKYSELD-NSHDSACASA-N 1 1 328.413 0.843 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)CC2([NH+](C)C)CC2)c1 ZINC000866545593 589749699 /nfs/dbraw/zinc/74/96/99/589749699.db2.gz IUBDXVHTFQTLAN-UHFFFAOYSA-N 1 1 349.456 0.962 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000859020410 589792935 /nfs/dbraw/zinc/79/29/35/589792935.db2.gz KWKUQXDWTCYHSL-CABCVRRESA-N 1 1 339.436 0.694 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000859020410 589792937 /nfs/dbraw/zinc/79/29/37/589792937.db2.gz KWKUQXDWTCYHSL-CABCVRRESA-N 1 1 339.436 0.694 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000859020905 589793397 /nfs/dbraw/zinc/79/33/97/589793397.db2.gz VLBMAUFNIFWMNE-GJZGRUSLSA-N 1 1 325.453 0.901 20 30 ECEDMO C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867947233 589864444 /nfs/dbraw/zinc/86/44/44/589864444.db2.gz CTSYTQXBFQEMOC-ABAIWWIYSA-N 1 1 335.429 0.637 20 30 ECEDMO CN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000867942317 589864447 /nfs/dbraw/zinc/86/44/47/589864447.db2.gz PGRNTIOUSIYDAL-ZFWWWQNUSA-N 1 1 333.413 0.391 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC(=O)NCC(F)(F)F ZINC000867949827 589864986 /nfs/dbraw/zinc/86/49/86/589864986.db2.gz JZWGAKFVBPPUJS-CYBMUJFWSA-N 1 1 340.305 0.540 20 30 ECEDMO COCC1(CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC[NH2+]CC1 ZINC000867971051 589865851 /nfs/dbraw/zinc/86/58/51/589865851.db2.gz MJOOMTZZHYIRSE-QGZVFWFLSA-N 1 1 342.443 0.877 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C#Cc2ccccc2)CC1=O ZINC000868389488 589900608 /nfs/dbraw/zinc/90/06/08/589900608.db2.gz QZYUOIAAMIREKV-QGZVFWFLSA-N 1 1 343.427 0.333 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1C#N ZINC000872618184 590134682 /nfs/dbraw/zinc/13/46/82/590134682.db2.gz QDERISPFBHDVCW-UONOGXRCSA-N 1 1 335.429 0.696 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000872929284 590175110 /nfs/dbraw/zinc/17/51/10/590175110.db2.gz SAARHDKHNKZHOR-UHFFFAOYSA-N 1 1 339.403 0.990 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c2c(nn1C)CCCC2 ZINC000873895711 590209403 /nfs/dbraw/zinc/20/94/03/590209403.db2.gz APWUZQDLHQVKKC-UHFFFAOYSA-N 1 1 331.420 0.309 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(OCC(C)C)ncn1 ZINC000873895997 590209435 /nfs/dbraw/zinc/20/94/35/590209435.db2.gz KLHXSAXZGGXACI-UHFFFAOYSA-N 1 1 347.419 0.521 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)n(CCC#N)n1 ZINC000874171591 590224021 /nfs/dbraw/zinc/22/40/21/590224021.db2.gz DOLHFVHLHPXCJU-KBPBESRZSA-N 1 1 344.419 0.596 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)ncc1C#N ZINC000874366348 590234833 /nfs/dbraw/zinc/23/48/33/590234833.db2.gz HKTGNKNWVLYFPD-UONOGXRCSA-N 1 1 327.388 0.895 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)ncc1C#N ZINC000874366342 590235144 /nfs/dbraw/zinc/23/51/44/590235144.db2.gz HKTGNKNWVLYFPD-KBPBESRZSA-N 1 1 327.388 0.895 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)ccc1C#N ZINC000874369205 590235425 /nfs/dbraw/zinc/23/54/25/590235425.db2.gz SXFAUTRZHDUHOP-KBPBESRZSA-N 1 1 327.388 0.895 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3cccc(C#N)c3)CC[C@@H]21 ZINC000875051317 590265475 /nfs/dbraw/zinc/26/54/75/590265475.db2.gz BLOWKYPFNIZKLP-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000875060490 590266836 /nfs/dbraw/zinc/26/68/36/590266836.db2.gz CXZQDELDJRAKFQ-OWCLPIDISA-N 1 1 337.464 0.625 20 30 ECEDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000879484453 590314888 /nfs/dbraw/zinc/31/48/88/590314888.db2.gz XCARUOHUDHHAGL-WBVHZDCISA-N 1 1 329.356 0.985 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531702 590319530 /nfs/dbraw/zinc/31/95/30/590319530.db2.gz KIZKEDULIOWNGG-RWMBFGLXSA-N 1 1 332.404 0.264 20 30 ECEDMO COCCOC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879591379 590327084 /nfs/dbraw/zinc/32/70/84/590327084.db2.gz VDZCCLCRENXEIH-MRXNPFEDSA-N 1 1 337.395 0.843 20 30 ECEDMO N#CC1(NC(=O)Cn2cc(CCC[NH+]3CCOCC3)nn2)CCC1 ZINC000881213812 590440882 /nfs/dbraw/zinc/44/08/82/590440882.db2.gz IJLKEEKALGFMLI-UHFFFAOYSA-N 1 1 332.408 0.105 20 30 ECEDMO COCC[N@@H+]1[C@H](C)CN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000129612182 590545538 /nfs/dbraw/zinc/54/55/38/590545538.db2.gz DMLZMUBPWOCJCV-IYBDPMFKSA-N 1 1 335.452 0.683 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C#N)cc3CS(N)(=O)=O)CC[C@H]21 ZINC000882698303 590575524 /nfs/dbraw/zinc/57/55/24/590575524.db2.gz JBDKCDBDWCFLIL-UKRRQHHQSA-N 1 1 334.445 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C(=O)OCc1ccccc1 ZINC000883004808 590601480 /nfs/dbraw/zinc/60/14/80/590601480.db2.gz VOMVLZWWROZAFR-HOTGVXAUSA-N 1 1 330.384 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C(=O)OCc1ccccc1 ZINC000883004808 590601481 /nfs/dbraw/zinc/60/14/81/590601481.db2.gz VOMVLZWWROZAFR-HOTGVXAUSA-N 1 1 330.384 0.305 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000884085349 590736657 /nfs/dbraw/zinc/73/66/57/590736657.db2.gz RUEPSOBGBUWGRS-HZPDHXFCSA-N 1 1 342.447 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000884085349 590736658 /nfs/dbraw/zinc/73/66/58/590736658.db2.gz RUEPSOBGBUWGRS-HZPDHXFCSA-N 1 1 342.447 0.842 20 30 ECEDMO C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885929192 590781687 /nfs/dbraw/zinc/78/16/87/590781687.db2.gz MCVDBJRIJGEINF-GDBMZVCRSA-N 1 1 334.464 0.716 20 30 ECEDMO C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000886361311 590835677 /nfs/dbraw/zinc/83/56/77/590835677.db2.gz AXLSFBMXPGFAKE-CVEARBPZSA-N 1 1 327.432 0.859 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(C(=O)OC(C)C)CC2)CC1 ZINC000886725690 590873288 /nfs/dbraw/zinc/87/32/88/590873288.db2.gz QBGLNIXSTCJNSW-UHFFFAOYSA-N 1 1 335.448 0.427 20 30 ECEDMO Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1(C#N)CCC1 ZINC000887052042 590931775 /nfs/dbraw/zinc/93/17/75/590931775.db2.gz ICPKVXCHGBGWNL-UOIKSKOESA-N 1 1 343.431 0.797 20 30 ECEDMO Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1(C#N)CCC1 ZINC000887052042 590931780 /nfs/dbraw/zinc/93/17/80/590931780.db2.gz ICPKVXCHGBGWNL-UOIKSKOESA-N 1 1 343.431 0.797 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 ZINC000887729898 590994449 /nfs/dbraw/zinc/99/44/49/590994449.db2.gz YPSLTICFFAECCX-KRWDZBQOSA-N 1 1 328.416 0.706 20 30 ECEDMO N#CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000889805220 591098614 /nfs/dbraw/zinc/09/86/14/591098614.db2.gz BBNYXWFCJXIJNW-KGLIPLIRSA-N 1 1 327.388 0.829 20 30 ECEDMO CC1(C)CC[N@@H+](CCNC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000890075081 591126398 /nfs/dbraw/zinc/12/63/98/591126398.db2.gz AGTKCVWBRFFTEB-FOCLMDBBSA-N 1 1 334.420 0.751 20 30 ECEDMO CN(C(=O)C(=O)Nc1cccc(CC#N)n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000890153186 591137758 /nfs/dbraw/zinc/13/77/58/591137758.db2.gz DZVUCGFDUVRNHI-CQSZACIVSA-N 1 1 327.388 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000890376849 591155812 /nfs/dbraw/zinc/15/58/12/591155812.db2.gz AVEITXUAYMRGMM-AWEZNQCLSA-N 1 1 325.376 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000890376849 591155814 /nfs/dbraw/zinc/15/58/14/591155814.db2.gz AVEITXUAYMRGMM-AWEZNQCLSA-N 1 1 325.376 0.881 20 30 ECEDMO Cn1ncnc1C[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)CC[C@@H]2C1 ZINC000946589186 611356535 /nfs/dbraw/zinc/35/65/35/611356535.db2.gz LHZFDNIBJAYHMV-IYBDPMFKSA-N 1 1 327.432 0.899 20 30 ECEDMO Cn1ncnc1C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)CC[C@@H]2C1 ZINC000946589186 611356536 /nfs/dbraw/zinc/35/65/36/611356536.db2.gz LHZFDNIBJAYHMV-IYBDPMFKSA-N 1 1 327.432 0.899 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C ZINC000947984585 611369072 /nfs/dbraw/zinc/36/90/72/611369072.db2.gz IOJMQCYSBNMQRM-YPMHNXCESA-N 1 1 341.843 0.612 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C ZINC000947984585 611369073 /nfs/dbraw/zinc/36/90/73/611369073.db2.gz IOJMQCYSBNMQRM-YPMHNXCESA-N 1 1 341.843 0.612 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946628425 611374005 /nfs/dbraw/zinc/37/40/05/611374005.db2.gz PJPPJCPLGJZJIR-KSZLIROESA-N 1 1 333.476 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC000948009640 611381954 /nfs/dbraw/zinc/38/19/54/611381954.db2.gz RGVXGWSGQCPFJR-LPHOPBHVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC000948009640 611381958 /nfs/dbraw/zinc/38/19/58/611381958.db2.gz RGVXGWSGQCPFJR-LPHOPBHVSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C ZINC000948010806 611383192 /nfs/dbraw/zinc/38/31/92/611383192.db2.gz DGBHBPYNFBMVPN-KGLIPLIRSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000930119237 611392098 /nfs/dbraw/zinc/39/20/98/611392098.db2.gz PJZBHQZBJXYSSM-HNNXBMFYSA-N 1 1 341.477 0.563 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4nnnc4c3)CC[C@@H]2C1 ZINC000946710056 611429231 /nfs/dbraw/zinc/42/92/31/611429231.db2.gz HQKPUZRDUFLLPC-IYBDPMFKSA-N 1 1 338.415 0.932 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)CC[C@@H]2C1 ZINC000946746928 611448970 /nfs/dbraw/zinc/44/89/70/611448970.db2.gz KAEURQVSDUDJTJ-XQQFMLRXSA-N 1 1 326.828 0.591 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cnnn1C ZINC000947176426 611453161 /nfs/dbraw/zinc/45/31/61/611453161.db2.gz XFIKNNXONSSHTO-DGCLKSJQSA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cnnn1C ZINC000947176426 611453163 /nfs/dbraw/zinc/45/31/63/611453163.db2.gz XFIKNNXONSSHTO-DGCLKSJQSA-N 1 1 327.392 0.798 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000925275739 611464532 /nfs/dbraw/zinc/46/45/32/611464532.db2.gz UKCGSXDETHAZQU-MJBXVCDLSA-N 1 1 325.409 0.609 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000925275739 611464534 /nfs/dbraw/zinc/46/45/34/611464534.db2.gz UKCGSXDETHAZQU-MJBXVCDLSA-N 1 1 325.409 0.609 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]3CC2)c1 ZINC000946770390 611465107 /nfs/dbraw/zinc/46/51/07/611465107.db2.gz NNUHDZWCFIZOJZ-BMFZPTHFSA-N 1 1 340.427 0.721 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC000946775663 611470074 /nfs/dbraw/zinc/47/00/74/611470074.db2.gz NARIVCUXNQYTEW-RRFJBIMHSA-N 1 1 337.464 0.882 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000946796244 611485345 /nfs/dbraw/zinc/48/53/45/611485345.db2.gz FVTMDKFBUVLJRL-OAHLLOKOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)CC[C@@H]2C1 ZINC000946803605 611492491 /nfs/dbraw/zinc/49/24/91/611492491.db2.gz NOIZHSCBGSOVDN-IYBDPMFKSA-N 1 1 338.473 0.615 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930980684 611492843 /nfs/dbraw/zinc/49/28/43/611492843.db2.gz BRXONJWBFGSMDA-AWEZNQCLSA-N 1 1 346.431 0.851 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000931053278 611501940 /nfs/dbraw/zinc/50/19/40/611501940.db2.gz UATBDDUGGPZZAK-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CC1(O)CC[NH+](C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000931150881 611511883 /nfs/dbraw/zinc/51/18/83/611511883.db2.gz JPUNZMNMNUXAQT-MRXNPFEDSA-N 1 1 337.441 0.758 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](N(C)C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000948306460 611512634 /nfs/dbraw/zinc/51/26/34/611512634.db2.gz HYQPASWMHSJMLD-OCCSQVGLSA-N 1 1 331.420 0.947 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000948306461 611512722 /nfs/dbraw/zinc/51/27/22/611512722.db2.gz HYQPASWMHSJMLD-TZMCWYRMSA-N 1 1 331.420 0.947 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](CNC(=O)NC)C2)cc1 ZINC000931166208 611512906 /nfs/dbraw/zinc/51/29/06/611512906.db2.gz CZRFASZSENLXSJ-INIZCTEOSA-N 1 1 344.415 0.626 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](CNC(=O)NC)C2)cc1 ZINC000931166208 611512907 /nfs/dbraw/zinc/51/29/07/611512907.db2.gz CZRFASZSENLXSJ-INIZCTEOSA-N 1 1 344.415 0.626 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C ZINC000947478936 611553279 /nfs/dbraw/zinc/55/32/79/611553279.db2.gz IGDXBDPOQQLRAV-ZIAGYGMSSA-N 1 1 342.403 0.926 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)CC1 ZINC000931721039 611566117 /nfs/dbraw/zinc/56/61/17/611566117.db2.gz GKSBFVMULOYIEO-FGTMMUONSA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2CN(C)CC3)CC1 ZINC000931721039 611566120 /nfs/dbraw/zinc/56/61/20/611566120.db2.gz GKSBFVMULOYIEO-FGTMMUONSA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2CN(C)CC3)CC1 ZINC000931721039 611566122 /nfs/dbraw/zinc/56/61/22/611566122.db2.gz GKSBFVMULOYIEO-FGTMMUONSA-N 1 1 347.507 0.847 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1C ZINC000947502309 611569453 /nfs/dbraw/zinc/56/94/53/611569453.db2.gz MOPUDTQXIOJTAA-YPMHNXCESA-N 1 1 328.372 0.628 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000931999555 611592157 /nfs/dbraw/zinc/59/21/57/611592157.db2.gz SNXKQWDBNWVJTH-AWEZNQCLSA-N 1 1 340.379 0.981 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000932045246 611595587 /nfs/dbraw/zinc/59/55/87/611595587.db2.gz ROPMBXMPTUVMLZ-UHFFFAOYSA-N 1 1 327.384 0.393 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1C ZINC000947567010 611599665 /nfs/dbraw/zinc/59/96/65/611599665.db2.gz ADABQWNMDFNUOZ-UONOGXRCSA-N 1 1 339.403 0.663 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C ZINC000947568286 611599859 /nfs/dbraw/zinc/59/98/59/611599859.db2.gz KPDBNPXVGNMNJS-CHWSQXEVSA-N 1 1 325.376 0.273 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C ZINC000947599780 611614282 /nfs/dbraw/zinc/61/42/82/611614282.db2.gz ZJNNSNYYPZPIMT-WCQYABFASA-N 1 1 342.407 0.300 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccccc1C#N ZINC000947627843 611624937 /nfs/dbraw/zinc/62/49/37/611624937.db2.gz AAYLRVJXJRYPIV-WFASDCNBSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccccc1C#N ZINC000947627843 611624941 /nfs/dbraw/zinc/62/49/41/611624941.db2.gz AAYLRVJXJRYPIV-WFASDCNBSA-N 1 1 339.403 0.865 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937349744 608609016 /nfs/dbraw/zinc/60/90/16/608609016.db2.gz KPMYWLDSOPFBEB-SJORKVTESA-N 1 1 347.459 0.568 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937349744 608609020 /nfs/dbraw/zinc/60/90/20/608609020.db2.gz KPMYWLDSOPFBEB-SJORKVTESA-N 1 1 347.459 0.568 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937353640 608610538 /nfs/dbraw/zinc/61/05/38/608610538.db2.gz VFIUTSJIZYKWDG-CVEARBPZSA-N 1 1 333.432 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937353640 608610540 /nfs/dbraw/zinc/61/05/40/608610540.db2.gz VFIUTSJIZYKWDG-CVEARBPZSA-N 1 1 333.432 0.180 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000158812778 608620141 /nfs/dbraw/zinc/62/01/41/608620141.db2.gz DERGKXHOWHFLIO-GFCCVEGCSA-N 1 1 328.415 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1 ZINC000937377386 608651867 /nfs/dbraw/zinc/65/18/67/608651867.db2.gz LQONGDLNVDOUML-JYJNAYRXSA-N 1 1 326.400 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1 ZINC000937377386 608651869 /nfs/dbraw/zinc/65/18/69/608651869.db2.gz LQONGDLNVDOUML-JYJNAYRXSA-N 1 1 326.400 0.538 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 ZINC000949433553 608677462 /nfs/dbraw/zinc/67/74/62/608677462.db2.gz YZPBQUVMYIJYPO-CQSZACIVSA-N 1 1 336.436 0.280 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C ZINC000947442861 608720808 /nfs/dbraw/zinc/72/08/08/608720808.db2.gz ZXCZDSNQDRGDEM-UKRRQHHQSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000924035183 608725447 /nfs/dbraw/zinc/72/54/47/608725447.db2.gz IDMUANWYWZQLIU-JYJNAYRXSA-N 1 1 336.505 0.963 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000948581903 611660406 /nfs/dbraw/zinc/66/04/06/611660406.db2.gz IMBIBDZMBVCYLG-CZPYZCIJSA-N 1 1 343.431 0.803 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000936948634 608781782 /nfs/dbraw/zinc/78/17/82/608781782.db2.gz XISRFTSZHHNSAY-CVEARBPZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000936948634 608781785 /nfs/dbraw/zinc/78/17/85/608781785.db2.gz XISRFTSZHHNSAY-CVEARBPZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC2(F)F)CC1 ZINC000947229614 608792776 /nfs/dbraw/zinc/79/27/76/608792776.db2.gz FVFOFYLGTRIBMH-KGLIPLIRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC2(F)F)CC1 ZINC000947229614 608792780 /nfs/dbraw/zinc/79/27/80/608792780.db2.gz FVFOFYLGTRIBMH-KGLIPLIRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2n[nH]cc2C)CC1 ZINC000947231039 608826056 /nfs/dbraw/zinc/82/60/56/608826056.db2.gz ZYTAIOQDEVHWHH-HNNXBMFYSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2n[nH]cc2C)CC1 ZINC000947231039 608826060 /nfs/dbraw/zinc/82/60/60/608826060.db2.gz ZYTAIOQDEVHWHH-HNNXBMFYSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccn(C)c2)CC1 ZINC000947230847 608826122 /nfs/dbraw/zinc/82/61/22/608826122.db2.gz VEKBMWJGFDBULZ-KRWDZBQOSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccn(C)c2)CC1 ZINC000947230847 608826124 /nfs/dbraw/zinc/82/61/24/608826124.db2.gz VEKBMWJGFDBULZ-KRWDZBQOSA-N 1 1 342.443 0.844 20 30 ECEDMO C=C(Br)CNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000049286010 608840129 /nfs/dbraw/zinc/84/01/29/608840129.db2.gz BUCNCYRPDNMHNS-UHFFFAOYSA-N 1 1 333.230 0.405 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000948598714 611665986 /nfs/dbraw/zinc/66/59/86/611665986.db2.gz MDEBLSLUZVYNLZ-HUUCEWRRSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000948598714 611665987 /nfs/dbraw/zinc/66/59/87/611665987.db2.gz MDEBLSLUZVYNLZ-HUUCEWRRSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cscn1 ZINC000936612879 608875957 /nfs/dbraw/zinc/87/59/57/608875957.db2.gz WHWOGMSYMKCEIE-YDHLFZDLSA-N 1 1 344.440 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cscn1 ZINC000936612879 608875961 /nfs/dbraw/zinc/87/59/61/608875961.db2.gz WHWOGMSYMKCEIE-YDHLFZDLSA-N 1 1 344.440 0.666 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C ZINC000947598734 608917522 /nfs/dbraw/zinc/91/75/22/608917522.db2.gz PAVREKGQJKDUKG-YPMHNXCESA-N 1 1 344.423 0.853 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937054051 608936220 /nfs/dbraw/zinc/93/62/20/608936220.db2.gz JNGAQWNOONJZHE-AWEZNQCLSA-N 1 1 340.387 0.764 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cnnn1C ZINC000947217685 608965608 /nfs/dbraw/zinc/96/56/08/608965608.db2.gz PTOSDUCGGBNTOE-NWDGAFQWSA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cnnn1C ZINC000947217685 608965609 /nfs/dbraw/zinc/96/56/09/608965609.db2.gz PTOSDUCGGBNTOE-NWDGAFQWSA-N 1 1 327.392 0.798 20 30 ECEDMO C=C(C)CC[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000949091046 609013616 /nfs/dbraw/zinc/01/36/16/609013616.db2.gz AVAWJIBVFDEMQK-UHFFFAOYSA-N 1 1 327.406 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC000937699188 609016655 /nfs/dbraw/zinc/01/66/55/609016655.db2.gz INQJCOMCJCENAV-PMPSAXMXSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC000937699188 609016659 /nfs/dbraw/zinc/01/66/59/609016659.db2.gz INQJCOMCJCENAV-PMPSAXMXSA-N 1 1 343.431 0.259 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000937849139 609113241 /nfs/dbraw/zinc/11/32/41/609113241.db2.gz BRTDPKJWNFXXTC-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC000937887069 609375786 /nfs/dbraw/zinc/37/57/86/609375786.db2.gz VIPULRKJRKQQKM-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC000937887069 609375789 /nfs/dbraw/zinc/37/57/89/609375789.db2.gz VIPULRKJRKQQKM-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000938170011 609481163 /nfs/dbraw/zinc/48/11/63/609481163.db2.gz AJTGYFIKZULGMO-FXUDXRNXSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000938170011 609481168 /nfs/dbraw/zinc/48/11/68/609481168.db2.gz AJTGYFIKZULGMO-FXUDXRNXSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000938170331 609482005 /nfs/dbraw/zinc/48/20/05/609482005.db2.gz GMZKPYQJZBMLHS-BXWFABGCSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000938170331 609482006 /nfs/dbraw/zinc/48/20/06/609482006.db2.gz GMZKPYQJZBMLHS-BXWFABGCSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nccc(C)n2)C1 ZINC000938170521 609482391 /nfs/dbraw/zinc/48/23/91/609482391.db2.gz JBBHLJFNEZQHRJ-GJZGRUSLSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nccc(C)n2)C1 ZINC000938170521 609482394 /nfs/dbraw/zinc/48/23/94/609482394.db2.gz JBBHLJFNEZQHRJ-GJZGRUSLSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccccc2O)C1 ZINC000938171982 609485196 /nfs/dbraw/zinc/48/51/96/609485196.db2.gz ORSWCZUSPSONLT-HOCLYGCPSA-N 1 1 341.411 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccccc2O)C1 ZINC000938171982 609485199 /nfs/dbraw/zinc/48/51/99/609485199.db2.gz ORSWCZUSPSONLT-HOCLYGCPSA-N 1 1 341.411 0.821 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@@H]1C ZINC000947810711 611701239 /nfs/dbraw/zinc/70/12/39/611701239.db2.gz OORGMZNCTPMUMO-UONOGXRCSA-N 1 1 341.415 0.937 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000938224289 609552562 /nfs/dbraw/zinc/55/25/62/609552562.db2.gz SDODQQHWXJUCDF-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cn1 ZINC000908006270 609635475 /nfs/dbraw/zinc/63/54/75/609635475.db2.gz CTRNTRDQOLOIHH-HUUCEWRRSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cn1 ZINC000908006270 609635476 /nfs/dbraw/zinc/63/54/76/609635476.db2.gz CTRNTRDQOLOIHH-HUUCEWRRSA-N 1 1 336.417 0.173 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000920190639 609675406 /nfs/dbraw/zinc/67/54/06/609675406.db2.gz FLWLGZZEJJSLHG-SJORKVTESA-N 1 1 344.459 0.881 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)C[C@@H]1C ZINC000947852833 609696027 /nfs/dbraw/zinc/69/60/27/609696027.db2.gz MISRLFHUXLXSRX-GOEBONIOSA-N 1 1 330.432 0.853 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC000947324705 609706881 /nfs/dbraw/zinc/70/68/81/609706881.db2.gz USBMUKZGJQVVTL-QWRGUYRKSA-N 1 1 340.815 0.099 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC000947324705 609706883 /nfs/dbraw/zinc/70/68/83/609706883.db2.gz USBMUKZGJQVVTL-QWRGUYRKSA-N 1 1 340.815 0.099 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H]1C ZINC000947986300 609742790 /nfs/dbraw/zinc/74/27/90/609742790.db2.gz TVEZFOHXRMSQJB-VXGBXAGGSA-N 1 1 325.372 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2csnc2OC)CC1 ZINC000948825385 609758574 /nfs/dbraw/zinc/75/85/74/609758574.db2.gz CIXAVPRMTCXMTO-HNNXBMFYSA-N 1 1 348.472 0.894 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2csnc2OC)CC1 ZINC000948825385 609758575 /nfs/dbraw/zinc/75/85/75/609758575.db2.gz CIXAVPRMTCXMTO-HNNXBMFYSA-N 1 1 348.472 0.894 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000938375432 609760743 /nfs/dbraw/zinc/76/07/43/609760743.db2.gz QXHODOZTABPAQG-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000913761147 609820411 /nfs/dbraw/zinc/82/04/11/609820411.db2.gz ZKUFMCWXQSDWCP-MAUKXSAKSA-N 1 1 346.406 0.801 20 30 ECEDMO C[NH+]=C(NCCN(C)C1CCCC1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000152088324 609832513 /nfs/dbraw/zinc/83/25/13/609832513.db2.gz MXEHKMWRDMUKDF-CQSZACIVSA-N 1 1 333.484 0.941 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC000938529961 609844780 /nfs/dbraw/zinc/84/47/80/609844780.db2.gz FPLRYIDLFKNZHP-HIFRSBDPSA-N 1 1 346.435 0.231 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000938539293 609857132 /nfs/dbraw/zinc/85/71/32/609857132.db2.gz GTJTTXCBPMFBJY-HZPDHXFCSA-N 1 1 340.427 0.688 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000914175857 609861461 /nfs/dbraw/zinc/86/14/61/609861461.db2.gz ONUXGOLHKGJNGL-HUUCEWRRSA-N 1 1 325.457 0.582 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925409330 609888123 /nfs/dbraw/zinc/88/81/23/609888123.db2.gz NTAURPOEHGWGRI-OLZOCXBDSA-N 1 1 329.408 0.272 20 30 ECEDMO COCCOCCOCC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000929825259 609890487 /nfs/dbraw/zinc/89/04/87/609890487.db2.gz PCVMWNMQHJEBNR-HNNXBMFYSA-N 1 1 349.435 0.538 20 30 ECEDMO COCCOCCOCC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000929825259 609890488 /nfs/dbraw/zinc/89/04/88/609890488.db2.gz PCVMWNMQHJEBNR-HNNXBMFYSA-N 1 1 349.435 0.538 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)[C@H](O)c2ccc(C#N)cc2)C1 ZINC000911859268 609916126 /nfs/dbraw/zinc/91/61/26/609916126.db2.gz HAWIPHRKTOSSFI-QGZVFWFLSA-N 1 1 347.415 0.397 20 30 ECEDMO CC[N@@H+](CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CC1 ZINC000916115425 609931608 /nfs/dbraw/zinc/93/16/08/609931608.db2.gz UHTBNFOPNKDFFQ-IUODEOHRSA-N 1 1 340.449 0.050 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](CC)C2CCCC2)c1=O ZINC000917464723 609974469 /nfs/dbraw/zinc/97/44/69/609974469.db2.gz DYKXXMHPTVQVEE-UHFFFAOYSA-N 1 1 334.420 0.766 20 30 ECEDMO C#CCN(CC(=O)N(C)CC[N@@H+](C)CCO)C(=O)OC(C)(C)C ZINC000912602026 609975887 /nfs/dbraw/zinc/97/58/87/609975887.db2.gz WWFWWBNQEPKOTL-UHFFFAOYSA-N 1 1 327.425 0.239 20 30 ECEDMO CC(=NNC(=N)N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000917546498 609975928 /nfs/dbraw/zinc/97/59/28/609975928.db2.gz ZYBSTQYPJPGUAD-UHFFFAOYSA-N 1 1 340.453 0.124 20 30 ECEDMO C=CCN1C(=O)c2ccc(C(=O)N(C)CC[N@@H+](C)CCO)cc2C1=O ZINC000912610724 609979024 /nfs/dbraw/zinc/97/90/24/609979024.db2.gz ZVMBXNZBYBLQJK-UHFFFAOYSA-N 1 1 345.399 0.465 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912747464 609999899 /nfs/dbraw/zinc/99/98/99/609999899.db2.gz KDTZXURELCUHHR-OAHLLOKOSA-N 1 1 333.436 0.481 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912747464 609999900 /nfs/dbraw/zinc/99/99/00/609999900.db2.gz KDTZXURELCUHHR-OAHLLOKOSA-N 1 1 333.436 0.481 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000918359976 610004674 /nfs/dbraw/zinc/00/46/74/610004674.db2.gz OIHXOQALHSKWPL-SOUVJXGZSA-N 1 1 328.482 0.986 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)s1 ZINC000919311671 610039721 /nfs/dbraw/zinc/03/97/21/610039721.db2.gz DWHSYDVLNBEZAS-UHFFFAOYSA-N 1 1 342.446 0.014 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000938968195 610058529 /nfs/dbraw/zinc/05/85/29/610058529.db2.gz BTLCWWJMUGSINQ-RDJZCZTQSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cn(CC)nn3)C2)nn1 ZINC000939277384 610146700 /nfs/dbraw/zinc/14/67/00/610146700.db2.gz OXEAJFKPAJTXGM-GXTWGEPZSA-N 1 1 344.423 0.326 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nonc3C)C2)nn1 ZINC000939293423 610149507 /nfs/dbraw/zinc/14/95/07/610149507.db2.gz UAJYRXSZGAOXQY-BXUZGUMPSA-N 1 1 345.407 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000939307448 610158038 /nfs/dbraw/zinc/15/80/38/610158038.db2.gz QGYUEGZFTAXNQB-CABCVRRESA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000939307448 610158040 /nfs/dbraw/zinc/15/80/40/610158040.db2.gz QGYUEGZFTAXNQB-CABCVRRESA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)on2)C1 ZINC000939307847 610158129 /nfs/dbraw/zinc/15/81/29/610158129.db2.gz LRTMBZWYFNDLQK-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)on2)C1 ZINC000939307847 610158130 /nfs/dbraw/zinc/15/81/30/610158130.db2.gz LRTMBZWYFNDLQK-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000939892714 610164834 /nfs/dbraw/zinc/16/48/34/610164834.db2.gz VLCYCSZCVJKWMD-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000939892714 610164836 /nfs/dbraw/zinc/16/48/36/610164836.db2.gz VLCYCSZCVJKWMD-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC000940018106 610186369 /nfs/dbraw/zinc/18/63/69/610186369.db2.gz SGIZIKJOUWKABF-CVEARBPZSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC000940018106 610186370 /nfs/dbraw/zinc/18/63/70/610186370.db2.gz SGIZIKJOUWKABF-CVEARBPZSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000940038683 610198444 /nfs/dbraw/zinc/19/84/44/610198444.db2.gz KEVUIZUKJKQQTH-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000940038683 610198446 /nfs/dbraw/zinc/19/84/46/610198446.db2.gz KEVUIZUKJKQQTH-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](C)SC)CC1 ZINC000940349930 610270770 /nfs/dbraw/zinc/27/07/70/610270770.db2.gz KGPXOVYABRBSLM-GJZGRUSLSA-N 1 1 337.489 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](C)SC)CC1 ZINC000940349930 610270771 /nfs/dbraw/zinc/27/07/71/610270771.db2.gz KGPXOVYABRBSLM-GJZGRUSLSA-N 1 1 337.489 0.896 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000940506929 610293216 /nfs/dbraw/zinc/29/32/16/610293216.db2.gz NDCFNYYHSAMGFY-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C(C)CN1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941413812 610303040 /nfs/dbraw/zinc/30/30/40/610303040.db2.gz FTHYIXYVNPGZRM-FUHWJXTLSA-N 1 1 348.491 0.254 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN(C(=O)CC)C3)CC2)C1 ZINC000941422462 610307563 /nfs/dbraw/zinc/30/75/63/610307563.db2.gz NKWFVGJQMSRCPS-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(CC#N)C2)CC1 ZINC000941471396 610330065 /nfs/dbraw/zinc/33/00/65/610330065.db2.gz ZJIODRODPQWTTO-QGZVFWFLSA-N 1 1 333.480 0.459 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940687891 610330812 /nfs/dbraw/zinc/33/08/12/610330812.db2.gz WIGHAEHNVPLNHF-OAHLLOKOSA-N 1 1 343.431 0.995 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940687891 610330814 /nfs/dbraw/zinc/33/08/14/610330814.db2.gz WIGHAEHNVPLNHF-OAHLLOKOSA-N 1 1 343.431 0.995 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940692653 610332669 /nfs/dbraw/zinc/33/26/69/610332669.db2.gz CRRJSXDRTQNQOB-KGLIPLIRSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cnco2)CC1 ZINC000941465117 610333924 /nfs/dbraw/zinc/33/39/24/610333924.db2.gz HRADKTBUGFYBKF-AWEZNQCLSA-N 1 1 330.388 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cnco2)CC1 ZINC000941465117 610333925 /nfs/dbraw/zinc/33/39/25/610333925.db2.gz HRADKTBUGFYBKF-AWEZNQCLSA-N 1 1 330.388 0.447 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC000941487738 610339139 /nfs/dbraw/zinc/33/91/39/610339139.db2.gz QKFLDADIEWIBEQ-UHFFFAOYSA-N 1 1 327.432 0.261 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)C1 ZINC000941489262 610339733 /nfs/dbraw/zinc/33/97/33/610339733.db2.gz CWNORIMYWLNICS-UHFFFAOYSA-N 1 1 340.431 0.446 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941532004 610363546 /nfs/dbraw/zinc/36/35/46/610363546.db2.gz PCWLDYHVYIJIJZ-GOSISDBHSA-N 1 1 346.519 0.960 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1 ZINC000942259847 610364600 /nfs/dbraw/zinc/36/46/00/610364600.db2.gz UPJWISGYVGORFN-VXGBXAGGSA-N 1 1 339.417 0.391 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1 ZINC000942259988 610365014 /nfs/dbraw/zinc/36/50/14/610365014.db2.gz VCSQQNCHEXRXEM-GHMZBOCLSA-N 1 1 327.406 0.553 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3nccn4ccnc34)CC2)C1 ZINC000941571514 610378019 /nfs/dbraw/zinc/37/80/19/610378019.db2.gz XSIUTIHBEAXNGV-UHFFFAOYSA-N 1 1 326.404 0.357 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3cn(C)nc3Cl)CC2)C1 ZINC000941565323 610385417 /nfs/dbraw/zinc/38/54/17/610385417.db2.gz WLUXAEGTKVCNHP-UHFFFAOYSA-N 1 1 337.855 0.630 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000940812390 610385434 /nfs/dbraw/zinc/38/54/34/610385434.db2.gz DWYGNWRZXPSRBZ-UHFFFAOYSA-N 1 1 340.387 0.766 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cn3ccc(C)cc3=O)CC2)C1 ZINC000941590961 610387429 /nfs/dbraw/zinc/38/74/29/610387429.db2.gz YNISNLOWCOZLCF-UHFFFAOYSA-N 1 1 344.459 0.561 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H](C)C1 ZINC000942315185 610393123 /nfs/dbraw/zinc/39/31/23/610393123.db2.gz SOXGZENCLZDBKP-ZBFHGGJFSA-N 1 1 332.448 0.835 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H](C)C1 ZINC000942315185 610393125 /nfs/dbraw/zinc/39/31/25/610393125.db2.gz SOXGZENCLZDBKP-ZBFHGGJFSA-N 1 1 332.448 0.835 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000940846586 610398160 /nfs/dbraw/zinc/39/81/60/610398160.db2.gz CCBNJXLSEOYNKB-OAHLLOKOSA-N 1 1 336.480 0.553 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C(C)(C)C1 ZINC000940856622 610407928 /nfs/dbraw/zinc/40/79/28/610407928.db2.gz VCSNAKSHFLSGJB-CQSZACIVSA-N 1 1 342.403 0.783 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)C(C)(C)C2)C1=O ZINC000940858397 610409143 /nfs/dbraw/zinc/40/91/43/610409143.db2.gz MJZHEIYSIQAMJZ-UONOGXRCSA-N 1 1 346.435 0.422 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000940858397 610409146 /nfs/dbraw/zinc/40/91/46/610409146.db2.gz MJZHEIYSIQAMJZ-UONOGXRCSA-N 1 1 346.435 0.422 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000940858397 610409148 /nfs/dbraw/zinc/40/91/48/610409148.db2.gz MJZHEIYSIQAMJZ-UONOGXRCSA-N 1 1 346.435 0.422 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940892313 610418956 /nfs/dbraw/zinc/41/89/56/610418956.db2.gz CILHRSAMTSXOGU-AWEZNQCLSA-N 1 1 341.477 0.262 20 30 ECEDMO CC1(C)CN(CC#N)CC[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000940907157 610428394 /nfs/dbraw/zinc/42/83/94/610428394.db2.gz ASKBOJAWCYLQTF-NWPKHEMWSA-N 1 1 332.448 0.590 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)C1 ZINC000941662019 610437731 /nfs/dbraw/zinc/43/77/31/610437731.db2.gz RHLJIKZAOZUCDA-UHFFFAOYSA-N 1 1 340.427 0.251 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3noc4c3COCC4)CC2)C1 ZINC000941670977 610444534 /nfs/dbraw/zinc/44/45/34/610444534.db2.gz BQPXHSNJJHWFOR-UHFFFAOYSA-N 1 1 344.415 0.213 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000941671899 610445214 /nfs/dbraw/zinc/44/52/14/610445214.db2.gz OGTSJFRMJDORFX-CQSZACIVSA-N 1 1 329.448 0.529 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000941674603 610447620 /nfs/dbraw/zinc/44/76/20/610447620.db2.gz FFERZQDJENGWGG-OAHLLOKOSA-N 1 1 334.464 0.259 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000941675177 610448368 /nfs/dbraw/zinc/44/83/68/610448368.db2.gz SMKHICZDLXLBOB-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000940939933 610451697 /nfs/dbraw/zinc/45/16/97/610451697.db2.gz UFFZMGLGTOTKKE-HNNXBMFYSA-N 1 1 336.480 0.601 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)C1 ZINC000941678902 610452119 /nfs/dbraw/zinc/45/21/19/610452119.db2.gz NUMUSEFIZMFIRJ-IBGZPJMESA-N 1 1 340.471 0.751 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3c(C)n[nH]c3C)CC2)C1 ZINC000941665300 610456395 /nfs/dbraw/zinc/45/63/95/610456395.db2.gz RRGSBIMXSNYDRW-UHFFFAOYSA-N 1 1 343.475 0.811 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ncccc3OCC)CC2)C1 ZINC000941692527 610466803 /nfs/dbraw/zinc/46/68/03/610466803.db2.gz LBKCWIUHMBHZDY-UHFFFAOYSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](C)C1 ZINC000942518394 610493224 /nfs/dbraw/zinc/49/32/24/610493224.db2.gz QXPYJAFXFIJNPC-HUUCEWRRSA-N 1 1 341.477 0.262 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000941771729 610497336 /nfs/dbraw/zinc/49/73/36/610497336.db2.gz XNOBYBVYXAWXHT-GBRKPNRJSA-N 1 1 346.431 0.070 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](C)C1 ZINC000942548193 610507967 /nfs/dbraw/zinc/50/79/67/610507967.db2.gz RTBCVMXBCZVROY-JQWIXIFHSA-N 1 1 330.396 0.320 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](C)C1 ZINC000942551299 610509347 /nfs/dbraw/zinc/50/93/47/610509347.db2.gz RAHNJVPAAXHLHI-WFASDCNBSA-N 1 1 330.432 0.861 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C[C@@H]2C)c1 ZINC000942614216 610538244 /nfs/dbraw/zinc/53/82/44/610538244.db2.gz CFHPJLKANBVYAA-SUMWQHHRSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nnc[nH]3)C(C)(C)C2)C1=O ZINC000941110985 610542495 /nfs/dbraw/zinc/54/24/95/610542495.db2.gz NJHXWTOZFXAGKY-STQMWFEESA-N 1 1 346.435 0.422 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000941134538 610558532 /nfs/dbraw/zinc/55/85/32/610558532.db2.gz YEEHTHAYSQGBTL-ZBFHGGJFSA-N 1 1 345.447 0.778 20 30 ECEDMO C[C@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966853 610581238 /nfs/dbraw/zinc/58/12/38/610581238.db2.gz OHPNJJMHDPUWQM-JSGCOSHPSA-N 1 1 327.392 0.618 20 30 ECEDMO C[C@@H]1C[N@H+](CCS(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966535 610588211 /nfs/dbraw/zinc/58/82/11/610588211.db2.gz LVTNMAVMEVEUEM-DGCLKSJQSA-N 1 1 338.433 0.371 20 30 ECEDMO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966535 610588213 /nfs/dbraw/zinc/58/82/13/610588213.db2.gz LVTNMAVMEVEUEM-DGCLKSJQSA-N 1 1 338.433 0.371 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000941206590 610596420 /nfs/dbraw/zinc/59/64/20/610596420.db2.gz KKPYQNMQCQFFCW-ZDUSSCGKSA-N 1 1 336.436 0.673 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC000942002802 610608750 /nfs/dbraw/zinc/60/87/50/610608750.db2.gz QYLBCPUSTHWYBB-KBUPBQIOSA-N 1 1 337.464 0.881 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941225685 610609929 /nfs/dbraw/zinc/60/99/29/610609929.db2.gz HQXLMPFWOMSVMD-QWHCGFSZSA-N 1 1 329.466 0.471 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1C ZINC000947899660 610623630 /nfs/dbraw/zinc/62/36/30/610623630.db2.gz MGLOGNMXPOGGGZ-GJZGRUSLSA-N 1 1 345.447 0.374 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC000942079602 610644520 /nfs/dbraw/zinc/64/45/20/610644520.db2.gz MWSQPFBHVJKWRY-ZIAGYGMSSA-N 1 1 332.452 0.821 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H](C)C1 ZINC000942855843 610659243 /nfs/dbraw/zinc/65/92/43/610659243.db2.gz BNPNHRGZLAWMHG-ZIAGYGMSSA-N 1 1 330.432 0.814 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1OC ZINC000942133553 610670861 /nfs/dbraw/zinc/67/08/61/610670861.db2.gz YKRMMUNBCFGRJR-BRWVUGGUSA-N 1 1 347.459 0.616 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2nc(OC)cc(OC)n2)[C@H](C)C1 ZINC000942184010 610687454 /nfs/dbraw/zinc/68/74/54/610687454.db2.gz QCGBUJFZMNLQFZ-CHWSQXEVSA-N 1 1 332.404 0.957 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H](C)C1 ZINC000942209060 610697408 /nfs/dbraw/zinc/69/74/08/610697408.db2.gz SXODLECNWOIQGC-KBPBESRZSA-N 1 1 342.403 0.783 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cn3cccc(C)c3=O)CC2)C1 ZINC000941408660 610722738 /nfs/dbraw/zinc/72/27/38/610722738.db2.gz OVBJTSWOZGDQGR-UHFFFAOYSA-N 1 1 330.432 0.171 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2C)nc1 ZINC000944193069 610776139 /nfs/dbraw/zinc/77/61/39/610776139.db2.gz RAUPCZSTNOSHMN-HOCLYGCPSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000943261489 610778598 /nfs/dbraw/zinc/77/85/98/610778598.db2.gz QJUCSNQBKBAJEC-LSDHHAIUSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2C)cn1 ZINC000944213604 610786075 /nfs/dbraw/zinc/78/60/75/610786075.db2.gz FDZVDOHBNJTZMD-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](C)C1 ZINC000944810579 610794744 /nfs/dbraw/zinc/79/47/44/610794744.db2.gz JEOAUSYBXIUUTB-MWLCHTKSSA-N 1 1 337.811 0.768 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](C)C1 ZINC000944810579 610794746 /nfs/dbraw/zinc/79/47/46/610794746.db2.gz JEOAUSYBXIUUTB-MWLCHTKSSA-N 1 1 337.811 0.768 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@@H]1C ZINC000944317989 610826432 /nfs/dbraw/zinc/82/64/32/610826432.db2.gz NEMJNEMNNIWIMZ-YOEHRIQHSA-N 1 1 327.428 0.783 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CCN(C(=O)COC)CC2 ZINC000944343764 610835507 /nfs/dbraw/zinc/83/55/07/610835507.db2.gz HLOXDOUHIKVRDF-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CCN(C(=O)COC)CC2 ZINC000944343764 610835508 /nfs/dbraw/zinc/83/55/08/610835508.db2.gz HLOXDOUHIKVRDF-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H](C)C#N)C3)CC2)C1 ZINC000944951283 610854339 /nfs/dbraw/zinc/85/43/39/610854339.db2.gz KRGBDJAYSHSJDU-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H](C)C#N)C3)CC2)C1 ZINC000944951283 610854340 /nfs/dbraw/zinc/85/43/40/610854340.db2.gz KRGBDJAYSHSJDU-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000944999089 610875390 /nfs/dbraw/zinc/87/53/90/610875390.db2.gz YUKUBUQQKWAVHC-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000944999089 610875391 /nfs/dbraw/zinc/87/53/91/610875391.db2.gz YUKUBUQQKWAVHC-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2C)nn1 ZINC000943500372 610885039 /nfs/dbraw/zinc/88/50/39/610885039.db2.gz XONGFGGIMVGXOA-UONOGXRCSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](C)C1 ZINC000945177972 610933650 /nfs/dbraw/zinc/93/36/50/610933650.db2.gz DLKAHFZQOKOAGF-ZIAGYGMSSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@H]2C)CC1 ZINC000945184741 610938439 /nfs/dbraw/zinc/93/84/39/610938439.db2.gz XMIUPIZBJJPYGI-WBVHZDCISA-N 1 1 348.491 0.246 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000945287241 611004394 /nfs/dbraw/zinc/00/43/94/611004394.db2.gz PWPAHPWCTWMPPF-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](C)SC ZINC000943882096 611012044 /nfs/dbraw/zinc/01/20/44/611012044.db2.gz CPCFRNSTOMFRIW-KFWWJZLASA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](C)SC ZINC000943882096 611012046 /nfs/dbraw/zinc/01/20/46/611012046.db2.gz CPCFRNSTOMFRIW-KFWWJZLASA-N 1 1 337.489 0.943 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944630981 611032719 /nfs/dbraw/zinc/03/27/19/611032719.db2.gz AUYJFNWXTALWNR-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CC2(C)C)CCO1 ZINC000944646242 611055223 /nfs/dbraw/zinc/05/52/23/611055223.db2.gz GRAGLSXHKJRFMZ-OAGGEKHMSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CC2(C)C)CCO1 ZINC000944646242 611055226 /nfs/dbraw/zinc/05/52/26/611055226.db2.gz GRAGLSXHKJRFMZ-OAGGEKHMSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2=CCCC2)CCO1 ZINC000944648010 611057067 /nfs/dbraw/zinc/05/70/67/611057067.db2.gz RNXOEMWLTQMWGA-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2=CCCC2)CCO1 ZINC000944648010 611057070 /nfs/dbraw/zinc/05/70/70/611057070.db2.gz RNXOEMWLTQMWGA-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC000944009356 611079790 /nfs/dbraw/zinc/07/97/90/611079790.db2.gz ZOMXPCIPJFHJMV-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC000944009356 611079792 /nfs/dbraw/zinc/07/97/92/611079792.db2.gz ZOMXPCIPJFHJMV-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC000944722996 611114255 /nfs/dbraw/zinc/11/42/55/611114255.db2.gz JYPMGWFSIFWLOK-FZKCQIBNSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC000944722996 611114256 /nfs/dbraw/zinc/11/42/56/611114256.db2.gz JYPMGWFSIFWLOK-FZKCQIBNSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)CC[C@@H]2C1 ZINC000946824204 611174619 /nfs/dbraw/zinc/17/46/19/611174619.db2.gz HGFXDVODELMCFV-GASCZTMLSA-N 1 1 328.416 0.680 20 30 ECEDMO C=CCn1cc(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)nn1 ZINC000922956010 611186351 /nfs/dbraw/zinc/18/63/51/611186351.db2.gz UBXKLULRAQUNAY-KBPBESRZSA-N 1 1 336.465 0.843 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)CC[C@@H]2C1 ZINC000946877867 611218234 /nfs/dbraw/zinc/21/82/34/611218234.db2.gz BTHGUIRMOYBNJE-IXDOHACOSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC[C@@H]2C1 ZINC000946897331 611237816 /nfs/dbraw/zinc/23/78/16/611237816.db2.gz ZLACKBYQVANYJC-ZNMIVQPWSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(C(=O)OC(C)(C)C)=NO2)C1 ZINC000923561647 611262722 /nfs/dbraw/zinc/26/27/22/611262722.db2.gz IEAAFTSMRCMCTR-OCCSQVGLSA-N 1 1 335.404 0.687 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(C(=O)OC(C)(C)C)=NO2)C1 ZINC000923561647 611262724 /nfs/dbraw/zinc/26/27/24/611262724.db2.gz IEAAFTSMRCMCTR-OCCSQVGLSA-N 1 1 335.404 0.687 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)/C=C\c2cncc(C(=O)NC)c2)C1 ZINC000923574042 611267281 /nfs/dbraw/zinc/26/72/81/611267281.db2.gz CSEXZXPLXCESJK-WLMCBFPDSA-N 1 1 326.400 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCc2nc(-c3ncccn3)no2)C1 ZINC000923580119 611268361 /nfs/dbraw/zinc/26/83/61/611268361.db2.gz YLCIEYTZPAPZFP-CYBMUJFWSA-N 1 1 340.387 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2nc(-c3ncccn3)no2)C1 ZINC000923580119 611268363 /nfs/dbraw/zinc/26/83/63/611268363.db2.gz YLCIEYTZPAPZFP-CYBMUJFWSA-N 1 1 340.387 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C1 ZINC000923589212 611270343 /nfs/dbraw/zinc/27/03/43/611270343.db2.gz ONEUQJKESRVSMH-LBPRGKRZSA-N 1 1 327.388 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C1 ZINC000923589212 611270345 /nfs/dbraw/zinc/27/03/45/611270345.db2.gz ONEUQJKESRVSMH-LBPRGKRZSA-N 1 1 327.388 0.810 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccnc2N2CCOCC2)C1 ZINC000923584563 611271635 /nfs/dbraw/zinc/27/16/35/611271635.db2.gz SFUVCJKRESWZNE-OAHLLOKOSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2N2CCOCC2)C1 ZINC000923584563 611271636 /nfs/dbraw/zinc/27/16/36/611271636.db2.gz SFUVCJKRESWZNE-OAHLLOKOSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(OCC(N)=O)c(OC)c2)C1 ZINC000923592580 611271660 /nfs/dbraw/zinc/27/16/60/611271660.db2.gz YSHCKWXABJJIEN-AWEZNQCLSA-N 1 1 345.399 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OCC(N)=O)c(OC)c2)C1 ZINC000923592580 611271663 /nfs/dbraw/zinc/27/16/63/611271663.db2.gz YSHCKWXABJJIEN-AWEZNQCLSA-N 1 1 345.399 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000948647922 611280223 /nfs/dbraw/zinc/28/02/23/611280223.db2.gz NLMYXRJUAYBLSH-HUUCEWRRSA-N 1 1 343.418 0.898 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C2)nc1 ZINC000947947717 611294554 /nfs/dbraw/zinc/29/45/54/611294554.db2.gz JACRFYFUUWBANI-DZGCQCFKSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000834698978 611297382 /nfs/dbraw/zinc/29/73/82/611297382.db2.gz SWFJPIFQICATSJ-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000948599754 611303656 /nfs/dbraw/zinc/30/36/56/611303656.db2.gz YTMVIRAUXCJTQH-HUUCEWRRSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[C@@H]1CCC[N@@H+](Cn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)C1 ZINC000842628221 611318113 /nfs/dbraw/zinc/31/81/13/611318113.db2.gz VAVKDVPOBIGCGS-OAHLLOKOSA-N 1 1 344.415 0.237 20 30 ECEDMO C#CC[C@@H]1CCC[N@H+](Cn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)C1 ZINC000842628221 611318114 /nfs/dbraw/zinc/31/81/14/611318114.db2.gz VAVKDVPOBIGCGS-OAHLLOKOSA-N 1 1 344.415 0.237 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CCCCS1(=O)=O)C1CC[NH+](C)CC1 ZINC000921905938 611325380 /nfs/dbraw/zinc/32/53/80/611325380.db2.gz JBTZYATZMMUCEI-OAHLLOKOSA-N 1 1 341.477 0.693 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@@H]2CCN2CC)[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000922155647 611340564 /nfs/dbraw/zinc/34/05/64/611340564.db2.gz DJMZTHMJRIANQU-VGWMRTNUSA-N 1 1 334.464 0.209 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@@H]2CCN2CC)[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000922155647 611340565 /nfs/dbraw/zinc/34/05/65/611340565.db2.gz DJMZTHMJRIANQU-VGWMRTNUSA-N 1 1 334.464 0.209 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000922191613 611342490 /nfs/dbraw/zinc/34/24/90/611342490.db2.gz XAMFFBABJFLCDM-QZTJIDSGSA-N 1 1 345.443 0.961 20 30 ECEDMO C#CCN1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000922200532 611342786 /nfs/dbraw/zinc/34/27/86/611342786.db2.gz DNLJIFVLOAPULD-MRXNPFEDSA-N 1 1 336.480 0.884 20 30 ECEDMO C#CCN1CCC(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000922200532 611342789 /nfs/dbraw/zinc/34/27/89/611342789.db2.gz DNLJIFVLOAPULD-MRXNPFEDSA-N 1 1 336.480 0.884 20 30 ECEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000929106757 611729871 /nfs/dbraw/zinc/72/98/71/611729871.db2.gz BVJJEVBMJPKFFX-KRWDZBQOSA-N 1 1 349.406 0.722 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630971 611736538 /nfs/dbraw/zinc/73/65/38/611736538.db2.gz WXZSMAWJPBVFTM-ZWKOTPCHSA-N 1 1 333.432 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cscn2)C[C@H]1C ZINC000947919417 611741463 /nfs/dbraw/zinc/74/14/63/611741463.db2.gz VRELDXDZJUQEFN-NFAWXSAZSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cscn2)C[C@H]1C ZINC000947919417 611741464 /nfs/dbraw/zinc/74/14/64/611741464.db2.gz VRELDXDZJUQEFN-NFAWXSAZSA-N 1 1 346.456 0.817 20 30 ECEDMO CN(Cc1cc(C#N)cs1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000929749415 611788962 /nfs/dbraw/zinc/78/89/62/611788962.db2.gz RHIYEXFYDLJABL-LBPRGKRZSA-N 1 1 332.429 0.931 20 30 ECEDMO C#C[C@@H]1CCCC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000934513385 611805776 /nfs/dbraw/zinc/80/57/76/611805776.db2.gz NLLAOWUHPZUZQL-CYBMUJFWSA-N 1 1 329.404 0.312 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncoc2C)C1 ZINC000950645184 611814325 /nfs/dbraw/zinc/81/43/25/611814325.db2.gz LLEBEIPZKCLWLQ-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncoc2C)C1 ZINC000950645184 611814328 /nfs/dbraw/zinc/81/43/28/611814328.db2.gz LLEBEIPZKCLWLQ-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnsn2)C1 ZINC000950645187 611814693 /nfs/dbraw/zinc/81/46/93/611814693.db2.gz LVCDKLKAPFXMBF-BNOWGMLFSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnsn2)C1 ZINC000950645187 611814695 /nfs/dbraw/zinc/81/46/95/611814695.db2.gz LVCDKLKAPFXMBF-BNOWGMLFSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2n[nH]cc2C)C1 ZINC000950744145 611880056 /nfs/dbraw/zinc/88/00/56/611880056.db2.gz OHOKNQLHDHPADZ-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2n[nH]cc2C)C1 ZINC000950744145 611880059 /nfs/dbraw/zinc/88/00/59/611880059.db2.gz OHOKNQLHDHPADZ-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1nccs1 ZINC000950754962 611890091 /nfs/dbraw/zinc/89/00/91/611890091.db2.gz AFGXRZMCBCTAMV-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1nccs1 ZINC000950754962 611890094 /nfs/dbraw/zinc/89/00/94/611890094.db2.gz AFGXRZMCBCTAMV-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1cncs1 ZINC000950755212 611890563 /nfs/dbraw/zinc/89/05/63/611890563.db2.gz GRVAVMCWQGCOBJ-ZFWWWQNUSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1cncs1 ZINC000950755212 611890566 /nfs/dbraw/zinc/89/05/66/611890566.db2.gz GRVAVMCWQGCOBJ-ZFWWWQNUSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1[nH]cnc1C ZINC000950755600 611891125 /nfs/dbraw/zinc/89/11/25/611891125.db2.gz PNDSOTGSGWRQMN-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1[nH]cnc1C ZINC000950755600 611891128 /nfs/dbraw/zinc/89/11/28/611891128.db2.gz PNDSOTGSGWRQMN-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ocnc1CC ZINC000950755974 611891792 /nfs/dbraw/zinc/89/17/92/611891792.db2.gz YXLHRRMNVQQIJU-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ocnc1CC ZINC000950755974 611891795 /nfs/dbraw/zinc/89/17/95/611891795.db2.gz YXLHRRMNVQQIJU-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnoc1CC ZINC000950755993 611891944 /nfs/dbraw/zinc/89/19/44/611891944.db2.gz ZJBURICMDSVRKG-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnoc1CC ZINC000950755993 611891946 /nfs/dbraw/zinc/89/19/46/611891946.db2.gz ZJBURICMDSVRKG-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CCC[NH+]1CCC2(CC1)CN(C(=O)CCc1c[nH]nn1)CCO2 ZINC000949194295 611895859 /nfs/dbraw/zinc/89/58/59/611895859.db2.gz OHVPOZJUPUMOIT-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO C#CCC[NH+]1CCC2(CC1)CN(C(=O)CCc1cnn[nH]1)CCO2 ZINC000949194295 611895860 /nfs/dbraw/zinc/89/58/60/611895860.db2.gz OHVPOZJUPUMOIT-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000950234039 611919231 /nfs/dbraw/zinc/91/92/31/611919231.db2.gz LWJPAKHJLUNWRX-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000949292928 611929699 /nfs/dbraw/zinc/92/96/99/611929699.db2.gz LEWXZAFJLMRXHS-AWEZNQCLSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000949299296 611931916 /nfs/dbraw/zinc/93/19/16/611931916.db2.gz XDAINJKXZLJWLW-MRVWCRGKSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC000949340256 611944433 /nfs/dbraw/zinc/94/44/33/611944433.db2.gz GWNFTXHDFFUUCV-HNNXBMFYSA-N 1 1 333.432 0.229 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC3(CC2)C[N@@H+](CCCO)CCO3)c[nH]1 ZINC000949343721 611945688 /nfs/dbraw/zinc/94/56/88/611945688.db2.gz OGTHLQGYANIAKF-UHFFFAOYSA-N 1 1 332.404 0.576 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 ZINC000949343650 611945716 /nfs/dbraw/zinc/94/57/16/611945716.db2.gz MEXBKAMPILZWOA-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC000949379270 611957500 /nfs/dbraw/zinc/95/75/00/611957500.db2.gz VONMFYQBEDKGHB-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3ncc(OC)cn3)CC2)C1 ZINC000949412158 611969973 /nfs/dbraw/zinc/96/99/73/611969973.db2.gz QNYSWJSKLJLSHH-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3ncc(OC)cn3)CC2)C1 ZINC000949412158 611969975 /nfs/dbraw/zinc/96/99/75/611969975.db2.gz QNYSWJSKLJLSHH-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC000949423753 611973840 /nfs/dbraw/zinc/97/38/40/611973840.db2.gz NCGIBNHYUMSPRW-UHFFFAOYSA-N 1 1 345.447 0.557 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC000949433483 611978784 /nfs/dbraw/zinc/97/87/84/611978784.db2.gz WNSMUSRGVYVFCM-UHFFFAOYSA-N 1 1 334.420 0.922 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC000949433483 611978785 /nfs/dbraw/zinc/97/87/85/611978785.db2.gz WNSMUSRGVYVFCM-UHFFFAOYSA-N 1 1 334.420 0.922 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 ZINC000949470565 611991290 /nfs/dbraw/zinc/99/12/90/611991290.db2.gz DJWUFQSJJZNOIJ-KRWDZBQOSA-N 1 1 333.432 0.229 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 ZINC000949470565 611991292 /nfs/dbraw/zinc/99/12/92/611991292.db2.gz DJWUFQSJJZNOIJ-KRWDZBQOSA-N 1 1 333.432 0.229 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](C[C@H](C)O)CCO2 ZINC000949476681 611994105 /nfs/dbraw/zinc/99/41/05/611994105.db2.gz BSJUSOXZFWSSPN-XHSDSOJGSA-N 1 1 338.448 0.652 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC000949506426 612013064 /nfs/dbraw/zinc/01/30/64/612013064.db2.gz HXBHLVUTYZMTCC-UHFFFAOYSA-N 1 1 344.415 0.816 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC000949506519 612013582 /nfs/dbraw/zinc/01/35/82/612013582.db2.gz JZZKGOXTHPBIPY-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC000949506519 612013584 /nfs/dbraw/zinc/01/35/84/612013584.db2.gz JZZKGOXTHPBIPY-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534322 612024160 /nfs/dbraw/zinc/02/41/60/612024160.db2.gz WRAIMWFWZPZARV-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534322 612024163 /nfs/dbraw/zinc/02/41/63/612024163.db2.gz WRAIMWFWZPZARV-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1=CCOCC1 ZINC000949545288 612027891 /nfs/dbraw/zinc/02/78/91/612027891.db2.gz LYANDAIBXAXWCF-HOTGVXAUSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1=CCOCC1 ZINC000949545288 612027893 /nfs/dbraw/zinc/02/78/93/612027893.db2.gz LYANDAIBXAXWCF-HOTGVXAUSA-N 1 1 331.416 0.148 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950476446 612034223 /nfs/dbraw/zinc/03/42/23/612034223.db2.gz ATIRTNNKFDXJTI-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc(C)no2)C1 ZINC000951223726 612088296 /nfs/dbraw/zinc/08/82/96/612088296.db2.gz OIWRSURZHSGXJR-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc(C)no2)C1 ZINC000951223726 612088297 /nfs/dbraw/zinc/08/82/97/612088297.db2.gz OIWRSURZHSGXJR-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1coc(OC)n1 ZINC000951259695 612112965 /nfs/dbraw/zinc/11/29/65/612112965.db2.gz IMRSZIKNIRJNHZ-OCCSQVGLSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1coc(OC)n1 ZINC000951259695 612112968 /nfs/dbraw/zinc/11/29/68/612112968.db2.gz IMRSZIKNIRJNHZ-OCCSQVGLSA-N 1 1 346.387 0.112 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000952014176 612177285 /nfs/dbraw/zinc/17/72/85/612177285.db2.gz HABNOENZHUMQSK-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000951354111 612178653 /nfs/dbraw/zinc/17/86/53/612178653.db2.gz HWQNOZKEDJTGST-LPRCSBTHSA-N 1 1 347.459 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCC[N@@H+]2C)cn1 ZINC000951376307 612192274 /nfs/dbraw/zinc/19/22/74/612192274.db2.gz BXHCWNRYEGHGTB-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)C[N@H+](C)C2CCC2)cn1 ZINC000951385934 612198769 /nfs/dbraw/zinc/19/87/69/612198769.db2.gz PVBAKDXTCPDRJI-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CCC[C@@H]2C)cn1 ZINC000951386125 612199206 /nfs/dbraw/zinc/19/92/06/612199206.db2.gz VERJOAHQMPKLTP-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000951410842 612211411 /nfs/dbraw/zinc/21/14/11/612211411.db2.gz NSJPMYBJHKVTTP-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000951494536 612269037 /nfs/dbraw/zinc/26/90/37/612269037.db2.gz OIZABMWTLPOCLE-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)C1CN(C(=O)C#CC3CC3)C1)CC2 ZINC000955136046 612297869 /nfs/dbraw/zinc/29/78/69/612297869.db2.gz ILSHUHZLHDLABX-HNNXBMFYSA-N 1 1 340.427 0.837 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2cnc(C)o2)C1 ZINC000954509189 612347399 /nfs/dbraw/zinc/34/73/99/612347399.db2.gz AAXWKEGKUWZUMC-INIZCTEOSA-N 1 1 344.415 0.292 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2cnc(C)o2)C1 ZINC000954509189 612347405 /nfs/dbraw/zinc/34/74/05/612347405.db2.gz AAXWKEGKUWZUMC-INIZCTEOSA-N 1 1 344.415 0.292 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC000953906738 612425801 /nfs/dbraw/zinc/42/58/01/612425801.db2.gz LKWWLADWDYTJPO-HNNXBMFYSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccncc2F)C1 ZINC000953948002 612477755 /nfs/dbraw/zinc/47/77/55/612477755.db2.gz PZBDKKZSDBUTSR-INIZCTEOSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccncc2F)C1 ZINC000953948002 612477756 /nfs/dbraw/zinc/47/77/56/612477756.db2.gz PZBDKKZSDBUTSR-INIZCTEOSA-N 1 1 344.390 0.601 20 30 ECEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)C[C@H](O)CN1CCOCC1 ZINC000083245333 612481284 /nfs/dbraw/zinc/48/12/84/612481284.db2.gz WFYFBGNEMARJID-KRWDZBQOSA-N 1 1 333.432 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(C)n1 ZINC000955926845 612492131 /nfs/dbraw/zinc/49/21/31/612492131.db2.gz UHGHTNKGOGXFDT-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(C)n1 ZINC000955926845 612492135 /nfs/dbraw/zinc/49/21/35/612492135.db2.gz UHGHTNKGOGXFDT-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC000955974477 612548328 /nfs/dbraw/zinc/54/83/28/612548328.db2.gz XDLOBYIJRIWRGW-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC000955974477 612548331 /nfs/dbraw/zinc/54/83/31/612548331.db2.gz XDLOBYIJRIWRGW-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CCCCO2)C1 ZINC000954020181 612557890 /nfs/dbraw/zinc/55/78/90/612557890.db2.gz BORGQXNFRHYHHU-IRXDYDNUSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CCCCO2)C1 ZINC000954020181 612557896 /nfs/dbraw/zinc/55/78/96/612557896.db2.gz BORGQXNFRHYHHU-IRXDYDNUSA-N 1 1 347.459 0.712 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC000956003209 612594966 /nfs/dbraw/zinc/59/49/66/612594966.db2.gz WYQMLEJKVVJTOA-DLBZAZTESA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC000956003210 612594999 /nfs/dbraw/zinc/59/49/99/612594999.db2.gz WYQMLEJKVVJTOA-IRXDYDNUSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]cc1C ZINC000956006200 612598397 /nfs/dbraw/zinc/59/83/97/612598397.db2.gz SEEDZWZWYNCYNK-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]cc1C ZINC000956006200 612598398 /nfs/dbraw/zinc/59/83/98/612598398.db2.gz SEEDZWZWYNCYNK-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cccc(C)n2)C1 ZINC000953765648 612598975 /nfs/dbraw/zinc/59/89/75/612598975.db2.gz YCYFQYIEZWKOGU-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cccc(C)n2)C1 ZINC000953765648 612598980 /nfs/dbraw/zinc/59/89/80/612598980.db2.gz YCYFQYIEZWKOGU-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956838963 612609385 /nfs/dbraw/zinc/60/93/85/612609385.db2.gz VWNCLBSIQQOLCA-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000956020723 612619606 /nfs/dbraw/zinc/61/96/06/612619606.db2.gz YPJNWIKAJKEVOM-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954108014 612671196 /nfs/dbraw/zinc/67/11/96/612671196.db2.gz JBLGDAQFHHFIDZ-UHFFFAOYSA-N 1 1 326.360 0.374 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954834477 612727502 /nfs/dbraw/zinc/72/75/02/612727502.db2.gz BLOBDMWTYVADHE-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccncc2C)C1 ZINC000954223979 612779181 /nfs/dbraw/zinc/77/91/81/612779181.db2.gz JZCNASCEUHGROG-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccncc2C)C1 ZINC000954223979 612779182 /nfs/dbraw/zinc/77/91/82/612779182.db2.gz JZCNASCEUHGROG-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cccnc2)C1 ZINC000956642784 612927601 /nfs/dbraw/zinc/92/76/01/612927601.db2.gz YJLHFLOQSBGAEZ-QFBILLFUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cccnc2)C1 ZINC000956642784 612927602 /nfs/dbraw/zinc/92/76/02/612927602.db2.gz YJLHFLOQSBGAEZ-QFBILLFUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cnn(C)c2)C1 ZINC000956689479 612933238 /nfs/dbraw/zinc/93/32/38/612933238.db2.gz OTKFIPUCQZFIGM-MAUKXSAKSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cnn(C)c2)C1 ZINC000956689479 612933239 /nfs/dbraw/zinc/93/32/39/612933239.db2.gz OTKFIPUCQZFIGM-MAUKXSAKSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cncs2)C1 ZINC000956746470 612942419 /nfs/dbraw/zinc/94/24/19/612942419.db2.gz WHJKFKMOYHPWAD-GUYCJALGSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cncs2)C1 ZINC000956746470 612942420 /nfs/dbraw/zinc/94/24/20/612942420.db2.gz WHJKFKMOYHPWAD-GUYCJALGSA-N 1 1 346.456 0.962 20 30 ECEDMO N#Cc1ncc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1C#N ZINC001164738539 720773210 /nfs/dbraw/zinc/77/32/10/720773210.db2.gz FXVXRWSAIVGWDV-STQMWFEESA-N 1 1 348.370 0.352 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC001098215444 735294552 /nfs/dbraw/zinc/29/45/52/735294552.db2.gz NVAAFBWAFYLSSA-UKRRQHHQSA-N 1 1 346.435 0.683 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)[C@H]2C1 ZINC001083231980 735378960 /nfs/dbraw/zinc/37/89/60/735378960.db2.gz BYDIALRUFMPEJU-UONOGXRCSA-N 1 1 348.403 0.226 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cncc3C)C2)C1=O ZINC000971950287 735429653 /nfs/dbraw/zinc/42/96/53/735429653.db2.gz SMQNYRNEQVVOJN-JKSUJKDBSA-N 1 1 345.447 0.511 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001024967379 738439487 /nfs/dbraw/zinc/43/94/87/738439487.db2.gz ZVQLXTVCHJTWQU-KFWWJZLASA-N 1 1 348.451 0.662 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC000969139287 731516304 /nfs/dbraw/zinc/51/63/04/731516304.db2.gz KYGVHNVYFWPBHN-ZDUSSCGKSA-N 1 1 329.404 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC000969135879 731518437 /nfs/dbraw/zinc/51/84/37/731518437.db2.gz HZFVQYOIZKFXPT-IAGOWNOFSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069974677 790267403 /nfs/dbraw/zinc/26/74/03/790267403.db2.gz KOLHVTLNKLZCPG-KFWWJZLASA-N 1 1 346.435 0.255 20 30 ECEDMO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCS1(=O)=O ZINC000969153355 731533829 /nfs/dbraw/zinc/53/38/29/731533829.db2.gz FZAQVLFWEYGOFM-LSDHHAIUSA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCS1(=O)=O ZINC000969153355 731533830 /nfs/dbraw/zinc/53/38/30/731533830.db2.gz FZAQVLFWEYGOFM-LSDHHAIUSA-N 1 1 326.462 0.948 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc3nccn32)[C@@H](n2ccnn2)C1 ZINC001069976807 790269774 /nfs/dbraw/zinc/26/97/74/790269774.db2.gz CBJDLEPQQHVFQE-HIFRSBDPSA-N 1 1 337.387 0.767 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cccc3nccn32)[C@@H](n2ccnn2)C1 ZINC001069976807 790269776 /nfs/dbraw/zinc/26/97/76/790269776.db2.gz CBJDLEPQQHVFQE-HIFRSBDPSA-N 1 1 337.387 0.767 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cccnc3)C2)C1=O ZINC000969209048 731600216 /nfs/dbraw/zinc/60/02/16/731600216.db2.gz FCBRUUORHYFGNF-BBRMVZONSA-N 1 1 328.416 0.919 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)c2cnc(OC)nc2)CC1 ZINC001098521240 731633915 /nfs/dbraw/zinc/63/39/15/731633915.db2.gz XZUYUGHHKWTMSH-UHFFFAOYSA-N 1 1 334.420 0.960 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC001041797001 782230120 /nfs/dbraw/zinc/23/01/20/782230120.db2.gz FLYFFHAIIVKGMN-SFHVURJKSA-N 1 1 328.416 0.499 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ocnc3C)C2)C1=O ZINC000969457333 731903002 /nfs/dbraw/zinc/90/30/02/731903002.db2.gz XAWSLBSEIONLTD-RISCZKNCSA-N 1 1 332.404 0.820 20 30 ECEDMO C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C#CC1CC1)C[C@@H](C)O2 ZINC001098596603 738553937 /nfs/dbraw/zinc/55/39/37/738553937.db2.gz WSRNZIUWIWBLHI-ZIAGYGMSSA-N 1 1 333.432 0.356 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C)ncn3)C2)C1=O ZINC000969509009 731937898 /nfs/dbraw/zinc/93/78/98/731937898.db2.gz RNAHEVVJLOCVLP-CJNGLKHVSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccnn3CC)C2)C1=O ZINC000969553018 731969425 /nfs/dbraw/zinc/96/94/25/731969425.db2.gz YTMHMDQTKJJAFC-BBRMVZONSA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3n[nH]cc3C)C2)C1=O ZINC000969649110 732022778 /nfs/dbraw/zinc/02/27/78/732022778.db2.gz MHBZUUFNJQBXTI-GXTWGEPZSA-N 1 1 331.420 0.555 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCn1cncn1 ZINC001087356959 738576116 /nfs/dbraw/zinc/57/61/16/738576116.db2.gz IUTMAMQEMPNZFJ-MLHJIOFPSA-N 1 1 339.443 0.860 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041812382 782254651 /nfs/dbraw/zinc/25/46/51/782254651.db2.gz YXPLFUSFKAFATA-FUHWJXTLSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nnc(C)o2)C1 ZINC000969867711 732462390 /nfs/dbraw/zinc/46/23/90/732462390.db2.gz FFRCLXVDBFBKMN-WFASDCNBSA-N 1 1 331.420 0.412 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nnc(C)o2)C1 ZINC000969867711 732462394 /nfs/dbraw/zinc/46/23/94/732462394.db2.gz FFRCLXVDBFBKMN-WFASDCNBSA-N 1 1 331.420 0.412 20 30 ECEDMO C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC000969880140 732475442 /nfs/dbraw/zinc/47/54/42/732475442.db2.gz YVJZELWRGRHTON-FVQBIDKESA-N 1 1 330.432 0.958 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H]2C1 ZINC001083194502 732755016 /nfs/dbraw/zinc/75/50/16/732755016.db2.gz RNFCYACDWJHJEB-FXUDXRNXSA-N 1 1 335.448 0.589 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(COC)nc2C)C1 ZINC001078089550 782286201 /nfs/dbraw/zinc/28/62/01/782286201.db2.gz JDXONBFTFDZYPF-VXGBXAGGSA-N 1 1 325.434 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001041828335 782288478 /nfs/dbraw/zinc/28/84/78/782288478.db2.gz YYBQYKZWJHIDQE-QGZVFWFLSA-N 1 1 330.388 0.047 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)CC1 ZINC001039114379 732960114 /nfs/dbraw/zinc/96/01/14/732960114.db2.gz ZCEHVHFFNKJGMG-DZGCQCFKSA-N 1 1 341.477 0.751 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3COCCN3CC)CC2)C1 ZINC001039138885 733100709 /nfs/dbraw/zinc/10/07/09/733100709.db2.gz DKPVNTQSONQFSE-ZWKOTPCHSA-N 1 1 333.476 0.901 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000970242338 733259129 /nfs/dbraw/zinc/25/91/29/733259129.db2.gz WUNDGISBWNXQAO-KBMXLJTQSA-N 1 1 333.436 0.970 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cscn2)C1 ZINC000973095097 738705804 /nfs/dbraw/zinc/70/58/04/738705804.db2.gz UZULQWQUSHAYDB-OBJOEFQTSA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cscn2)C1 ZINC000973095097 738705806 /nfs/dbraw/zinc/70/58/06/738705806.db2.gz UZULQWQUSHAYDB-OBJOEFQTSA-N 1 1 332.429 0.618 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2O)C1 ZINC000970399195 733470745 /nfs/dbraw/zinc/47/07/45/733470745.db2.gz WLIMMGHEEZHEIE-YUELXQCFSA-N 1 1 335.448 0.372 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC000970437261 733532041 /nfs/dbraw/zinc/53/20/41/733532041.db2.gz QRGBOKREDIHQPN-ABAIWWIYSA-N 1 1 345.447 0.864 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(=O)NC)C2)cc1 ZINC000970539100 733658106 /nfs/dbraw/zinc/65/81/06/733658106.db2.gz YZJFVJDZWOMSEI-UONOGXRCSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)N3CCOCC3)CC2)C1 ZINC001039189722 733709307 /nfs/dbraw/zinc/70/93/07/733709307.db2.gz PDQSJFJYKKWTIJ-WMZOPIPTSA-N 1 1 333.476 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC000970754012 733910759 /nfs/dbraw/zinc/91/07/59/733910759.db2.gz OIRQDGJTHXYVLD-QWHCGFSZSA-N 1 1 340.427 0.780 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970761868 733921937 /nfs/dbraw/zinc/92/19/37/733921937.db2.gz AGIMBORJRAQIKH-HZMBPMFUSA-N 1 1 332.429 0.835 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)[C@H]2C1 ZINC001083209152 734118563 /nfs/dbraw/zinc/11/85/63/734118563.db2.gz SRLFGMMPBNFNND-OWCLPIDISA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)C3=COCCO3)C2)C1=O ZINC000971017169 734182867 /nfs/dbraw/zinc/18/28/67/734182867.db2.gz DFFJDEZXQZAIJS-KBPBESRZSA-N 1 1 335.404 0.194 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(C)on3)C2)C1=O ZINC000971035631 734195931 /nfs/dbraw/zinc/19/59/31/734195931.db2.gz VDIAMDDIRYXSSE-ZFWWWQNUSA-N 1 1 332.404 0.916 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167422037 734211301 /nfs/dbraw/zinc/21/13/01/734211301.db2.gz GYXACIRTOKHZJP-ZDUSSCGKSA-N 1 1 346.435 0.104 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(c3cnc(C#N)cn3)CCO2)C1 ZINC001104322055 734298521 /nfs/dbraw/zinc/29/85/21/734298521.db2.gz UUAVGJHWVQEDMY-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(c3ccc(C#N)nc3)CCO2)C1 ZINC001104322147 734299382 /nfs/dbraw/zinc/29/93/82/734299382.db2.gz WKMJUULAIYZOEB-RHSMWYFYSA-N 1 1 343.431 0.616 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H](CCC)NC(N)=O)CC1 ZINC001098548402 734332622 /nfs/dbraw/zinc/33/26/22/734332622.db2.gz SFCKCEFMCHXKGK-OAHLLOKOSA-N 1 1 340.468 0.685 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cnn(CC)c3)C2)C1=O ZINC000971225703 734375210 /nfs/dbraw/zinc/37/52/10/734375210.db2.gz CNJGNLVEYRPXLO-JKSUJKDBSA-N 1 1 345.447 0.836 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC000971276728 734416161 /nfs/dbraw/zinc/41/61/61/734416161.db2.gz GZXQSVFZGCLGLE-HIFRSBDPSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3coc(C)n3)C2)C1=O ZINC000971396857 734515862 /nfs/dbraw/zinc/51/58/62/734515862.db2.gz AQCQDJANUBLONU-ZFWWWQNUSA-N 1 1 332.404 0.916 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3cncc(C#N)n3)CCO2)C1 ZINC001104349022 734518790 /nfs/dbraw/zinc/51/87/90/734518790.db2.gz BPNRPTYUSUOJHI-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3nccn3CC)C2)C1=O ZINC000971423041 734559740 /nfs/dbraw/zinc/55/97/40/734559740.db2.gz KKSAKTXTIYRONZ-CABCVRRESA-N 1 1 345.447 0.836 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cncnc3)C2)C1=O ZINC000971427390 734568798 /nfs/dbraw/zinc/56/87/98/734568798.db2.gz OQVMNJQFDQICQF-HZPDHXFCSA-N 1 1 343.431 0.339 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H]1CN(c2ccncc2C#N)CCO1)C1CCC1 ZINC001104353187 734597170 /nfs/dbraw/zinc/59/71/70/734597170.db2.gz RAVJOTJYNSLRQG-MRXNPFEDSA-N 1 1 343.431 0.759 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CN=NC1=O ZINC001025224490 738835001 /nfs/dbraw/zinc/83/50/01/738835001.db2.gz RCNIBAPJQHZJEE-GJZGRUSLSA-N 1 1 331.420 0.853 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000971655274 734891424 /nfs/dbraw/zinc/89/14/24/734891424.db2.gz VEEMDGAHSSNMEX-BZUAXINKSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000971655274 734891426 /nfs/dbraw/zinc/89/14/26/734891426.db2.gz VEEMDGAHSSNMEX-BZUAXINKSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CCN1C[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)[nH]n3)[C@H]2C1 ZINC001083224144 735039488 /nfs/dbraw/zinc/03/94/88/735039488.db2.gz IRUILMJUKLEWME-WDEREUQCSA-N 1 1 328.294 0.587 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(Nc3ccc(C#N)nn3)CCCC2)C1 ZINC001104379165 735056501 /nfs/dbraw/zinc/05/65/01/735056501.db2.gz CDNPUSYINFFZBP-CQSZACIVSA-N 1 1 344.419 0.520 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(Nc3ccc(C#N)nn3)CCCC2)C1 ZINC001104379165 735056502 /nfs/dbraw/zinc/05/65/02/735056502.db2.gz CDNPUSYINFFZBP-CQSZACIVSA-N 1 1 344.419 0.520 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)Cn2ccccc2=O)CC1 ZINC001098558734 735270667 /nfs/dbraw/zinc/27/06/67/735270667.db2.gz VGZDSTRHUPDOPL-UHFFFAOYSA-N 1 1 333.432 0.710 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972076016 735615911 /nfs/dbraw/zinc/61/59/11/735615911.db2.gz PMPLQGJJNITOKC-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972201391 735778746 /nfs/dbraw/zinc/77/87/46/735778746.db2.gz XXIXHXHTGRVEKO-HUUCEWRRSA-N 1 1 327.388 0.272 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972225469 735812006 /nfs/dbraw/zinc/81/20/06/735812006.db2.gz ZTRGFAXYFMSXDV-AWEZNQCLSA-N 1 1 344.390 0.996 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972225469 735812010 /nfs/dbraw/zinc/81/20/10/735812010.db2.gz ZTRGFAXYFMSXDV-AWEZNQCLSA-N 1 1 344.390 0.996 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC000972242369 735830953 /nfs/dbraw/zinc/83/09/53/735830953.db2.gz IYDQJBRTOCZAEL-DVOMOZLQSA-N 1 1 341.415 0.511 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 ZINC001098566836 735861804 /nfs/dbraw/zinc/86/18/04/735861804.db2.gz QSIPNPUPLYINNB-AWEZNQCLSA-N 1 1 349.431 0.869 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC001098566969 735869486 /nfs/dbraw/zinc/86/94/86/735869486.db2.gz XQDLXSXSNMSXLQ-CQSZACIVSA-N 1 1 330.450 0.035 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)N3CCCC3=O)[C@H]2C1 ZINC001083246462 735895083 /nfs/dbraw/zinc/89/50/83/735895083.db2.gz SDKWWLIIJCKSJB-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO COC[C@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972319501 735939619 /nfs/dbraw/zinc/93/96/19/735939619.db2.gz LILKMCJYCFHBFF-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972319501 735939621 /nfs/dbraw/zinc/93/96/21/735939621.db2.gz LILKMCJYCFHBFF-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000972340459 735968157 /nfs/dbraw/zinc/96/81/57/735968157.db2.gz WVVPAZAMFHWVEW-QAPCUYQASA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CN(C(C)=O)C3)C2)C1 ZINC000972356317 736002558 /nfs/dbraw/zinc/00/25/58/736002558.db2.gz ABXHUMBNOGTOIO-GOSISDBHSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000972387655 736059796 /nfs/dbraw/zinc/05/97/96/736059796.db2.gz UWGLOQXEQGXXGD-KRWDZBQOSA-N 1 1 348.451 0.921 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC001078213812 782506675 /nfs/dbraw/zinc/50/66/75/782506675.db2.gz DJWBBIGKTLHPTF-ZACQAIPSSA-N 1 1 337.464 0.225 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC001098569429 736078413 /nfs/dbraw/zinc/07/84/13/736078413.db2.gz LLWVJFNCKFGCIS-UHFFFAOYSA-N 1 1 344.415 0.103 20 30 ECEDMO C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000972407252 736135169 /nfs/dbraw/zinc/13/51/69/736135169.db2.gz CZTWXNZQKFIDJA-QAPCUYQASA-N 1 1 328.416 0.697 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 ZINC000972409695 736141853 /nfs/dbraw/zinc/14/18/53/736141853.db2.gz SJYYYQWVFADJJD-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](C)OC)C[C@@H]32)nc1 ZINC001083251910 736159548 /nfs/dbraw/zinc/15/95/48/736159548.db2.gz NVXVHHIVMKECCK-RRQGHBQHSA-N 1 1 329.400 0.623 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000972420379 736162789 /nfs/dbraw/zinc/16/27/89/736162789.db2.gz UGEFGIUHLJKBIK-QAPCUYQASA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972422127 736166749 /nfs/dbraw/zinc/16/67/49/736166749.db2.gz NNQMLRFSFBCIEG-SFHVURJKSA-N 1 1 346.431 0.906 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001078219911 782511807 /nfs/dbraw/zinc/51/18/07/782511807.db2.gz REYIZGZXAOWLGJ-OWCLPIDISA-N 1 1 335.448 0.352 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428488 736177132 /nfs/dbraw/zinc/17/71/32/736177132.db2.gz KUJDOAYOLGBWQW-KRWDZBQOSA-N 1 1 332.404 0.490 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428488 736177134 /nfs/dbraw/zinc/17/71/34/736177134.db2.gz KUJDOAYOLGBWQW-KRWDZBQOSA-N 1 1 332.404 0.490 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc(OC)n3)C2)C1 ZINC000972460908 736255797 /nfs/dbraw/zinc/25/57/97/736255797.db2.gz LYIFBITXQSLXQZ-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc(OC)n3)C2)C1 ZINC000972461565 736258889 /nfs/dbraw/zinc/25/88/89/736258889.db2.gz UXUHTJMCHOPYAK-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc(OC)n3)C2)C1 ZINC000972461565 736258892 /nfs/dbraw/zinc/25/88/92/736258892.db2.gz UXUHTJMCHOPYAK-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3nnc[nH]3)C2)c(F)c1 ZINC001022953213 736309474 /nfs/dbraw/zinc/30/94/74/736309474.db2.gz KNELWXMZDNJEAL-BETUJISGSA-N 1 1 328.351 0.795 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 ZINC000972481071 736309941 /nfs/dbraw/zinc/30/99/41/736309941.db2.gz XLHQVRUSONZOJD-QAPCUYQASA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 ZINC000972481071 736309945 /nfs/dbraw/zinc/30/99/45/736309945.db2.gz XLHQVRUSONZOJD-QAPCUYQASA-N 1 1 333.432 0.229 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]cnc1C)C2 ZINC001111516301 736311884 /nfs/dbraw/zinc/31/18/84/736311884.db2.gz MGJIPQPBILLELB-SYQHCUMBSA-N 1 1 331.420 0.744 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]cnc1C)C2 ZINC001111516301 736311885 /nfs/dbraw/zinc/31/18/85/736311885.db2.gz MGJIPQPBILLELB-SYQHCUMBSA-N 1 1 331.420 0.744 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCCOC)C2 ZINC001111491072 736311911 /nfs/dbraw/zinc/31/19/11/736311911.db2.gz MKIJHAXGHZZWHW-KFWWJZLASA-N 1 1 339.436 0.063 20 30 ECEDMO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCCOC)C2 ZINC001111491072 736311912 /nfs/dbraw/zinc/31/19/12/736311912.db2.gz MKIJHAXGHZZWHW-KFWWJZLASA-N 1 1 339.436 0.063 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022957257 736318388 /nfs/dbraw/zinc/31/83/88/736318388.db2.gz PBWHXZGDNVQXKR-TXEJJXNPSA-N 1 1 343.391 0.221 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)c3cnc[nH]3)C2)C1=O ZINC001022979059 736350805 /nfs/dbraw/zinc/35/08/05/736350805.db2.gz IBNZLCAZFIOCRB-MJBXVCDLSA-N 1 1 345.447 0.711 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)nc1 ZINC001022990990 736370135 /nfs/dbraw/zinc/37/01/35/736370135.db2.gz QXPQEYFJWZBKIE-BETUJISGSA-N 1 1 337.387 0.435 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 ZINC000972492520 736380376 /nfs/dbraw/zinc/38/03/76/736380376.db2.gz NATISDUKLZEFCJ-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 ZINC000972492520 736380379 /nfs/dbraw/zinc/38/03/79/736380379.db2.gz NATISDUKLZEFCJ-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000972503804 736437872 /nfs/dbraw/zinc/43/78/72/736437872.db2.gz IZPVTQTUQYXYQW-PBHICJAKSA-N 1 1 336.436 0.280 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](C)OC2(CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC001098574871 736451022 /nfs/dbraw/zinc/45/10/22/736451022.db2.gz WDSPFVRKQSOVTM-ZIAGYGMSSA-N 1 1 348.447 0.507 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 ZINC001098575344 736497028 /nfs/dbraw/zinc/49/70/28/736497028.db2.gz LKPKGKKMNOOQJY-QGZVFWFLSA-N 1 1 337.464 0.859 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)CC1 ZINC001098575478 736506004 /nfs/dbraw/zinc/50/60/04/736506004.db2.gz QIWDRAVBYMQDDT-OAHLLOKOSA-N 1 1 335.448 0.163 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)nn1 ZINC000972515928 736519926 /nfs/dbraw/zinc/51/99/26/736519926.db2.gz DLLYHBCYFATMBZ-CQSZACIVSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)nn1 ZINC000972515928 736519927 /nfs/dbraw/zinc/51/99/27/736519927.db2.gz DLLYHBCYFATMBZ-CQSZACIVSA-N 1 1 346.435 0.233 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCC(=O)N3)[C@H]2C1 ZINC001083259461 736645309 /nfs/dbraw/zinc/64/53/09/736645309.db2.gz BTGKXTNGGORPPC-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972546017 736663526 /nfs/dbraw/zinc/66/35/26/736663526.db2.gz MBDPIOLUHNKHGP-MAUKXSAKSA-N 1 1 335.448 0.925 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972546017 736663527 /nfs/dbraw/zinc/66/35/27/736663527.db2.gz MBDPIOLUHNKHGP-MAUKXSAKSA-N 1 1 335.448 0.925 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)[nH]1 ZINC001023318756 736678837 /nfs/dbraw/zinc/67/88/37/736678837.db2.gz MMJWPMBAHSKNRV-LBPRGKRZSA-N 1 1 329.404 0.607 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023320139 736680316 /nfs/dbraw/zinc/68/03/16/736680316.db2.gz SSJQMLKUDHIRLO-QWHCGFSZSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972551622 736700261 /nfs/dbraw/zinc/70/02/61/736700261.db2.gz FHBSQNDUGKDHTF-GJYPPUQNSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnnn3C)C2)C1=O ZINC001023344415 736716518 /nfs/dbraw/zinc/71/65/18/736716518.db2.gz OAIGCXFJBBNQOV-UONOGXRCSA-N 1 1 346.435 0.044 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023367378 736744208 /nfs/dbraw/zinc/74/42/08/736744208.db2.gz YXAUQKXPIWVXQI-KGLIPLIRSA-N 1 1 331.420 0.777 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001023375819 736756692 /nfs/dbraw/zinc/75/66/92/736756692.db2.gz SAZVULWKCHHGDN-XHSDSOJGSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)COCCC)C1 ZINC001059846911 751375670 /nfs/dbraw/zinc/37/56/70/751375670.db2.gz HZUDXKYDHPSOML-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)COCCC)C1 ZINC001059846911 751375676 /nfs/dbraw/zinc/37/56/76/751375676.db2.gz HZUDXKYDHPSOML-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2nccn2C)C1 ZINC001023424162 736807710 /nfs/dbraw/zinc/80/77/10/736807710.db2.gz QCECRUCEWFRTHI-SJORKVTESA-N 1 1 343.475 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2nccn2C)C1 ZINC001023424162 736807714 /nfs/dbraw/zinc/80/77/14/736807714.db2.gz QCECRUCEWFRTHI-SJORKVTESA-N 1 1 343.475 0.846 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cn[nH]n3)C2)C1=O ZINC001023461432 736867124 /nfs/dbraw/zinc/86/71/24/736867124.db2.gz WMBQUQZUXGBBCX-GXTWGEPZSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](CNC(=O)c3cnn[nH]3)C2)C1=O ZINC001023461432 736867128 /nfs/dbraw/zinc/86/71/28/736867128.db2.gz WMBQUQZUXGBBCX-GXTWGEPZSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnn[nH]3)C2)C1=O ZINC001023461432 736867133 /nfs/dbraw/zinc/86/71/33/736867133.db2.gz WMBQUQZUXGBBCX-GXTWGEPZSA-N 1 1 332.408 0.033 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001023475314 736889123 /nfs/dbraw/zinc/88/91/23/736889123.db2.gz VOMJLYHGGSWNCG-AWEZNQCLSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001023494494 736916071 /nfs/dbraw/zinc/91/60/71/736916071.db2.gz KHBHUQXTRACRDG-CYBMUJFWSA-N 1 1 326.404 0.828 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001023524941 736955846 /nfs/dbraw/zinc/95/58/46/736955846.db2.gz GNPGQHYTAXYTOI-HNNXBMFYSA-N 1 1 330.432 0.862 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001023543790 736987443 /nfs/dbraw/zinc/98/74/43/736987443.db2.gz QOGFACNWKZRBJR-NSHDSACASA-N 1 1 345.432 0.785 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001023558873 737009459 /nfs/dbraw/zinc/00/94/59/737009459.db2.gz WGQDYJDQICEFTO-HUUCEWRRSA-N 1 1 329.448 0.772 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC001023584178 737037144 /nfs/dbraw/zinc/03/71/44/737037144.db2.gz VUJMESGUQFHQLS-HOCLYGCPSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)c1 ZINC001023583465 737040293 /nfs/dbraw/zinc/04/02/93/737040293.db2.gz IDJSXBSVQIXIBJ-ZFWWWQNUSA-N 1 1 328.416 0.639 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000972611292 737095323 /nfs/dbraw/zinc/09/53/23/737095323.db2.gz FOZCYCRULWXVSY-INIZCTEOSA-N 1 1 334.424 0.333 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001023626242 737106265 /nfs/dbraw/zinc/10/62/65/737106265.db2.gz XAUKADTXJHMUEW-CQSZACIVSA-N 1 1 348.447 0.492 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001023637818 737124333 /nfs/dbraw/zinc/12/43/33/737124333.db2.gz SQBUDTLJLLLQAI-UKRRQHHQSA-N 1 1 346.435 0.185 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638859 737201204 /nfs/dbraw/zinc/20/12/04/737201204.db2.gz ODDYAXSKMVPOHF-RDTXWAMCSA-N 1 1 343.431 0.236 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638859 737201205 /nfs/dbraw/zinc/20/12/05/737201205.db2.gz ODDYAXSKMVPOHF-RDTXWAMCSA-N 1 1 343.431 0.236 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001023700089 737217996 /nfs/dbraw/zinc/21/79/96/737217996.db2.gz BNMRUJYPMIJHFJ-CQSZACIVSA-N 1 1 326.404 0.898 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655214 737260305 /nfs/dbraw/zinc/26/03/05/737260305.db2.gz FXSCRUACHCGNDH-AEFFLSMTSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655214 737260307 /nfs/dbraw/zinc/26/03/07/737260307.db2.gz FXSCRUACHCGNDH-AEFFLSMTSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[NH+]1CCC2(CC1)CN(C(=O)CCc1nc[nH]n1)C[C@H](C)O2 ZINC001098580904 737280871 /nfs/dbraw/zinc/28/08/71/737280871.db2.gz WQRCLXWTJIGYSE-HNNXBMFYSA-N 1 1 345.447 0.843 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccn(C)n3)C2)C1=O ZINC001023748063 737293625 /nfs/dbraw/zinc/29/36/25/737293625.db2.gz OADXJDRGTIKTSZ-HOCLYGCPSA-N 1 1 345.447 0.649 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C(C)C)N2CCCC2=O)CC1 ZINC001098581812 737322935 /nfs/dbraw/zinc/32/29/35/737322935.db2.gz BZTNNURETXEMKD-SFHVURJKSA-N 1 1 349.475 0.552 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3nocc3C)C2)C1=O ZINC000972675795 737349154 /nfs/dbraw/zinc/34/91/54/737349154.db2.gz GEIQYVCKPVGRNY-KBPBESRZSA-N 1 1 332.404 0.916 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC000972688811 737385883 /nfs/dbraw/zinc/38/58/83/737385883.db2.gz XBPLLDDOLQSYKB-QWHCGFSZSA-N 1 1 332.404 0.667 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC000972688810 737386083 /nfs/dbraw/zinc/38/60/83/737386083.db2.gz XBPLLDDOLQSYKB-OLZOCXBDSA-N 1 1 332.404 0.667 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC000972694182 737404124 /nfs/dbraw/zinc/40/41/24/737404124.db2.gz NLYNIPXDAQUHKB-KRWDZBQOSA-N 1 1 334.420 0.217 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC000972694182 737404125 /nfs/dbraw/zinc/40/41/25/737404125.db2.gz NLYNIPXDAQUHKB-KRWDZBQOSA-N 1 1 334.420 0.217 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC000972704424 737503499 /nfs/dbraw/zinc/50/34/99/737503499.db2.gz IHUVPAYPXCRWBL-KSSFIOAISA-N 1 1 349.431 0.309 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC000972757329 737598541 /nfs/dbraw/zinc/59/85/41/737598541.db2.gz YSHMQUUZJBMZDW-LSDHHAIUSA-N 1 1 340.383 0.014 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972793651 737684508 /nfs/dbraw/zinc/68/45/08/737684508.db2.gz JZGKDWXRNFCUDZ-OAHLLOKOSA-N 1 1 339.403 0.572 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001024088492 737687754 /nfs/dbraw/zinc/68/77/54/737687754.db2.gz DWYFJOLTBWFEQD-ZIAGYGMSSA-N 1 1 346.435 0.342 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001024122066 737733461 /nfs/dbraw/zinc/73/34/61/737733461.db2.gz MJMCHFGFUGSGCM-QLFBSQMISA-N 1 1 337.464 0.761 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CCN2CCNC2=O)c[nH]1 ZINC001024400227 737940785 /nfs/dbraw/zinc/94/07/85/737940785.db2.gz SPCLLBXIUSFBDB-OAHLLOKOSA-N 1 1 344.419 0.496 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001024511293 738041420 /nfs/dbraw/zinc/04/14/20/738041420.db2.gz FFWSFWUBBBBWME-CYBMUJFWSA-N 1 1 327.388 0.955 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001024511293 738041422 /nfs/dbraw/zinc/04/14/22/738041422.db2.gz FFWSFWUBBBBWME-CYBMUJFWSA-N 1 1 327.388 0.955 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1 ZINC001098587260 738079822 /nfs/dbraw/zinc/07/98/22/738079822.db2.gz YHNJXIWCINWFES-MRXNPFEDSA-N 1 1 339.480 0.995 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCOCC3)C(C)(C)[C@H]21 ZINC001087281393 738092326 /nfs/dbraw/zinc/09/23/26/738092326.db2.gz GJJNBRVQSRXGIL-NXHRZFHOSA-N 1 1 333.476 0.947 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087287736 738118005 /nfs/dbraw/zinc/11/80/05/738118005.db2.gz MDMHOAYTRVVGSE-MCIONIFRSA-N 1 1 326.462 0.822 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087287736 738118007 /nfs/dbraw/zinc/11/80/07/738118007.db2.gz MDMHOAYTRVVGSE-MCIONIFRSA-N 1 1 326.462 0.822 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1COCCN1CC(F)F ZINC001024575558 738122320 /nfs/dbraw/zinc/12/23/20/738122320.db2.gz LBNBLHIWZGRBEX-UONOGXRCSA-N 1 1 329.391 0.556 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@@H]21 ZINC001087292129 738133496 /nfs/dbraw/zinc/13/34/96/738133496.db2.gz GXVWUNPCGDMWEI-FVQBIDKESA-N 1 1 347.463 0.763 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001024605929 738159409 /nfs/dbraw/zinc/15/94/09/738159409.db2.gz FGQRRBXYBJGWSX-ZOFXXKQRSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001024605929 738159411 /nfs/dbraw/zinc/15/94/11/738159411.db2.gz FGQRRBXYBJGWSX-ZOFXXKQRSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccn4nnnc4c3)C(C)(C)[C@@H]21 ZINC001087299165 738160500 /nfs/dbraw/zinc/16/05/00/738160500.db2.gz QTVFXOOZXVZNFC-FVQBIDKESA-N 1 1 338.415 0.976 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)s1 ZINC001024626712 738178132 /nfs/dbraw/zinc/17/81/32/738178132.db2.gz GENFLTNFKKSBJW-BXUZGUMPSA-N 1 1 347.444 0.772 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)s1 ZINC001024626712 738178135 /nfs/dbraw/zinc/17/81/35/738178135.db2.gz GENFLTNFKKSBJW-BXUZGUMPSA-N 1 1 347.444 0.772 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087307750 738224834 /nfs/dbraw/zinc/22/48/34/738224834.db2.gz GJNVZXZVLYDWCQ-KCXAZCMYSA-N 1 1 346.431 0.167 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001024761969 738274505 /nfs/dbraw/zinc/27/45/05/738274505.db2.gz LKFIKMPIQQFHEP-ZDUSSCGKSA-N 1 1 325.368 0.788 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001024761969 738274506 /nfs/dbraw/zinc/27/45/06/738274506.db2.gz LKFIKMPIQQFHEP-ZDUSSCGKSA-N 1 1 325.368 0.788 20 30 ECEDMO C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947622 738399569 /nfs/dbraw/zinc/39/95/69/738399569.db2.gz RXWBVIFBTFVMMC-LPHOPBHVSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025245724 738919361 /nfs/dbraw/zinc/91/93/61/738919361.db2.gz PSDZXHZAXOSXET-HOTGVXAUSA-N 1 1 345.447 0.451 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@H+]2CC(N)=O)nn1 ZINC001025274952 738997723 /nfs/dbraw/zinc/99/77/23/738997723.db2.gz QETWFQWRQYDOBC-HUUCEWRRSA-N 1 1 346.435 0.409 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@@H+]2CC(N)=O)nn1 ZINC001025274952 738997724 /nfs/dbraw/zinc/99/77/24/738997724.db2.gz QETWFQWRQYDOBC-HUUCEWRRSA-N 1 1 346.435 0.409 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000973289168 739052046 /nfs/dbraw/zinc/05/20/46/739052046.db2.gz HFCQTLQRFGUXLM-BZSNNMDCSA-N 1 1 339.439 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3C)C2)nc1 ZINC000973294590 739057665 /nfs/dbraw/zinc/05/76/65/739057665.db2.gz BSOCBEFAKOYDKA-SHTZXODSSA-N 1 1 337.383 0.645 20 30 ECEDMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC#Cc2ccccc2)C1 ZINC001111999592 739080765 /nfs/dbraw/zinc/08/07/65/739080765.db2.gz QJROVABQJRWQSW-LPHOPBHVSA-N 1 1 325.412 0.884 20 30 ECEDMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC#Cc2ccccc2)C1 ZINC001111999592 739080770 /nfs/dbraw/zinc/08/07/70/739080770.db2.gz QJROVABQJRWQSW-LPHOPBHVSA-N 1 1 325.412 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000973410368 739223322 /nfs/dbraw/zinc/22/33/22/739223322.db2.gz HYSZMNHQIKMXGA-VBYGDGQVSA-N 1 1 329.444 0.894 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000973410368 739223330 /nfs/dbraw/zinc/22/33/30/739223330.db2.gz HYSZMNHQIKMXGA-VBYGDGQVSA-N 1 1 329.444 0.894 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2conc2C)C1 ZINC000973410797 739224377 /nfs/dbraw/zinc/22/43/77/739224377.db2.gz PWWTUUYAMMCJKQ-YDHLFZDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2conc2C)C1 ZINC000973410797 739224379 /nfs/dbraw/zinc/22/43/79/739224379.db2.gz PWWTUUYAMMCJKQ-YDHLFZDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)Cn1cnnn1 ZINC000988006862 751426707 /nfs/dbraw/zinc/42/67/07/751426707.db2.gz QQDKJBLJHZETFB-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ncc4n3CCCC4)[C@H]2C1 ZINC001083280095 739246797 /nfs/dbraw/zinc/24/67/97/739246797.db2.gz DSUDIMFWPSHDQR-JKSUJKDBSA-N 1 1 328.416 0.768 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ncc4n3CCCC4)[C@H]2C1 ZINC001083280095 739246801 /nfs/dbraw/zinc/24/68/01/739246801.db2.gz DSUDIMFWPSHDQR-JKSUJKDBSA-N 1 1 328.416 0.768 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000973434689 739269764 /nfs/dbraw/zinc/26/97/64/739269764.db2.gz SSJYDHRWCNECEO-ULQDDVLXSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cnn(C)c2)nn1 ZINC001028193014 751433443 /nfs/dbraw/zinc/43/34/43/751433443.db2.gz UNOIZQGYGOHZAP-HNNXBMFYSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)nn1 ZINC001028193014 751433445 /nfs/dbraw/zinc/43/34/45/751433445.db2.gz UNOIZQGYGOHZAP-HNNXBMFYSA-N 1 1 343.435 0.982 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H](CC)C(N)=O)C3)c1 ZINC000982002371 751442612 /nfs/dbraw/zinc/44/26/12/751442612.db2.gz PBZZIGDYBUFJPX-INIZCTEOSA-N 1 1 340.427 0.865 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@@H+]([C@@H]2CCNC2=O)C3)c1 ZINC000982002034 751443584 /nfs/dbraw/zinc/44/35/84/751443584.db2.gz ICMMEGZUTPIKQM-MRXNPFEDSA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H]2CCNC2=O)C3)c1 ZINC000982002034 751443586 /nfs/dbraw/zinc/44/35/86/751443586.db2.gz ICMMEGZUTPIKQM-MRXNPFEDSA-N 1 1 338.411 0.489 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(CC)CCO3)[C@H]2C1 ZINC001083280807 739436283 /nfs/dbraw/zinc/43/62/83/739436283.db2.gz HPGHGJANQGJFIF-GVDBMIGSSA-N 1 1 337.464 0.585 20 30 ECEDMO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001104704695 739510188 /nfs/dbraw/zinc/51/01/88/739510188.db2.gz BPTHBSFBZKIEJS-QWHCGFSZSA-N 1 1 339.403 0.803 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001098515672 751453180 /nfs/dbraw/zinc/45/31/80/751453180.db2.gz HSTHASBBIUSLLN-UHFFFAOYSA-N 1 1 348.447 0.495 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282608 739651504 /nfs/dbraw/zinc/65/15/04/739651504.db2.gz KXWOHXGYKWHXHZ-HRCADAONSA-N 1 1 345.447 0.637 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001025545116 739706692 /nfs/dbraw/zinc/70/66/92/739706692.db2.gz HAKAZFFJQZYLNU-KGLIPLIRSA-N 1 1 348.447 0.490 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)N3CCCCC3=O)[C@H]2C1 ZINC001083283334 739717470 /nfs/dbraw/zinc/71/74/70/739717470.db2.gz VNBBDOBPWMLFEN-HRCADAONSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025589369 739750771 /nfs/dbraw/zinc/75/07/71/739750771.db2.gz FLHBKNVTBYSUDK-KGLIPLIRSA-N 1 1 346.431 0.962 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001025591787 739753527 /nfs/dbraw/zinc/75/35/27/739753527.db2.gz HSCMEHDUHBJOSA-VXGBXAGGSA-N 1 1 348.403 0.750 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC(=O)NC)C2)cn1 ZINC001025600464 739761970 /nfs/dbraw/zinc/76/19/70/739761970.db2.gz MNJGROCKXGOYNB-HIFRSBDPSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025614541 739777068 /nfs/dbraw/zinc/77/70/68/739777068.db2.gz LRLJOWNIVDOZFV-CHWSQXEVSA-N 1 1 329.404 0.429 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)n2cccn2)C1=O ZINC001025688169 739865214 /nfs/dbraw/zinc/86/52/14/739865214.db2.gz PUJKMFJPNIFFOI-ARKGTOAJSA-N 1 1 343.431 0.277 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1=O ZINC001025727466 739898428 /nfs/dbraw/zinc/89/84/28/739898428.db2.gz OTJYIUSSCJFDRI-YNLUIRMOSA-N 1 1 329.444 0.866 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cccc2)C1=O ZINC001025739770 739909020 /nfs/dbraw/zinc/90/90/20/739909020.db2.gz PMCISAGKJLEEGR-NRKLIOEPSA-N 1 1 342.443 0.882 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001025775636 739944209 /nfs/dbraw/zinc/94/42/09/739944209.db2.gz LFIAPXLMERCEQK-RGDJUOJXSA-N 1 1 332.385 0.831 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001025789839 739952389 /nfs/dbraw/zinc/95/23/89/739952389.db2.gz NMMJCRMWMNQIMX-LGFJLYTPSA-N 1 1 333.432 0.245 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H](C)Cc2cnn(C)c2)CC1 ZINC001098516117 751512798 /nfs/dbraw/zinc/51/27/98/751512798.db2.gz PKVGVASWDIIRBS-MRXNPFEDSA-N 1 1 346.475 0.907 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)cn1 ZINC000988090152 751519491 /nfs/dbraw/zinc/51/94/91/751519491.db2.gz FLMLWOOOYYFAHD-UNEWFSDZSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2ncccc2OC)[C@@H](n2ccnn2)C1 ZINC001070008039 790310270 /nfs/dbraw/zinc/31/02/70/790310270.db2.gz NQQUHKPIYUADLN-CABCVRRESA-N 1 1 342.403 0.452 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2ncccc2OC)[C@@H](n2ccnn2)C1 ZINC001070008039 790310276 /nfs/dbraw/zinc/31/02/76/790310276.db2.gz NQQUHKPIYUADLN-CABCVRRESA-N 1 1 342.403 0.452 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2CCC(OC)CC2)[C@@H](n2ccnn2)C1 ZINC001070010193 790315025 /nfs/dbraw/zinc/31/50/25/790315025.db2.gz GGVODYVEWWQQEZ-BACDZXNISA-N 1 1 345.447 0.848 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2cnon2)C1 ZINC000988089558 751518515 /nfs/dbraw/zinc/51/85/15/751518515.db2.gz WQCKPJFKVBMNAL-ZFWWWQNUSA-N 1 1 345.403 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2cnon2)C1 ZINC000988089558 751518519 /nfs/dbraw/zinc/51/85/19/751518519.db2.gz WQCKPJFKVBMNAL-ZFWWWQNUSA-N 1 1 345.403 0.088 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)nn1 ZINC000988099237 751532046 /nfs/dbraw/zinc/53/20/46/751532046.db2.gz UMBDNJLQYLOVOD-RDBSUJKOSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026101779 740377118 /nfs/dbraw/zinc/37/71/18/740377118.db2.gz GHKNIWBEDZNQKN-PFHJDOJBSA-N 1 1 347.459 0.635 20 30 ECEDMO CN(C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccnc(C#N)n1 ZINC001058690610 740479579 /nfs/dbraw/zinc/47/95/79/740479579.db2.gz OSHLPRBYZSBLJQ-CABCVRRESA-N 1 1 342.447 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC000973965892 740682506 /nfs/dbraw/zinc/68/25/06/740682506.db2.gz CBTMAQQSBGWLPB-ZNMIVQPWSA-N 1 1 343.431 0.501 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC000973965892 740682509 /nfs/dbraw/zinc/68/25/09/740682509.db2.gz CBTMAQQSBGWLPB-ZNMIVQPWSA-N 1 1 343.431 0.501 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC000973995980 740748467 /nfs/dbraw/zinc/74/84/67/740748467.db2.gz DDQITISKHCVNGE-ZNMIVQPWSA-N 1 1 344.415 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC000973995980 740748469 /nfs/dbraw/zinc/74/84/69/740748469.db2.gz DDQITISKHCVNGE-ZNMIVQPWSA-N 1 1 344.415 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973996744 740749589 /nfs/dbraw/zinc/74/95/89/740749589.db2.gz XKGMPJFYLNLCPE-LZWOXQAQSA-N 1 1 339.399 0.361 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973996744 740749593 /nfs/dbraw/zinc/74/95/93/740749593.db2.gz XKGMPJFYLNLCPE-LZWOXQAQSA-N 1 1 339.399 0.361 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000988113906 751581100 /nfs/dbraw/zinc/58/11/00/751581100.db2.gz NUPGOHNYWNRIHO-RISCZKNCSA-N 1 1 340.387 0.811 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000974045593 740834843 /nfs/dbraw/zinc/83/48/43/740834843.db2.gz YOQFGTXFXOQCKW-BNOWGMLFSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCC=C)C[C@H]1C(F)(F)F ZINC001112069687 741092233 /nfs/dbraw/zinc/09/22/33/741092233.db2.gz JDRJAXCQRRFLEZ-VXGBXAGGSA-N 1 1 349.353 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cncs2)C1 ZINC000974231300 741143667 /nfs/dbraw/zinc/14/36/67/741143667.db2.gz FLDXLSZWRJDPEF-GUTXKFCHSA-N 1 1 346.456 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cncs2)C1 ZINC000974231300 741143668 /nfs/dbraw/zinc/14/36/68/741143668.db2.gz FLDXLSZWRJDPEF-GUTXKFCHSA-N 1 1 346.456 0.547 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000974264958 741196582 /nfs/dbraw/zinc/19/65/82/741196582.db2.gz HCIOMNVTMHMCMS-ALYAQQCSSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000974264958 741196583 /nfs/dbraw/zinc/19/65/83/741196583.db2.gz HCIOMNVTMHMCMS-ALYAQQCSSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2occc2C)C1 ZINC000974266189 741199330 /nfs/dbraw/zinc/19/93/30/741199330.db2.gz ZXQCWZHBHJQPSJ-XHSDSOJGSA-N 1 1 343.427 0.992 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2occc2C)C1 ZINC000974266189 741199332 /nfs/dbraw/zinc/19/93/32/741199332.db2.gz ZXQCWZHBHJQPSJ-XHSDSOJGSA-N 1 1 343.427 0.992 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC000982148747 751633354 /nfs/dbraw/zinc/63/33/54/751633354.db2.gz UXNDBOXIXLRFGC-UHFFFAOYSA-N 1 1 346.431 0.990 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnnc(C)c3)C2)nn1 ZINC001105221778 741496762 /nfs/dbraw/zinc/49/67/62/741496762.db2.gz VKJDCOHAIQUPDM-UHFFFAOYSA-N 1 1 327.392 0.739 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3ccn(C)n3)C2)nn1 ZINC001105237951 741524561 /nfs/dbraw/zinc/52/45/61/741524561.db2.gz DZLSYSTZXQHAST-UHFFFAOYSA-N 1 1 329.408 0.303 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)NC(=O)CC)C2)nn1 ZINC001105247287 741547917 /nfs/dbraw/zinc/54/79/17/741547917.db2.gz XTPHOSGOQGAYKP-LBPRGKRZSA-N 1 1 334.424 0.242 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccnn3C)C2)nn1 ZINC001105252550 741562190 /nfs/dbraw/zinc/56/21/90/741562190.db2.gz XEQHNFYNWDIGJZ-UHFFFAOYSA-N 1 1 329.408 0.303 20 30 ECEDMO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]CCn3cncn3)nn2)C1 ZINC001105253976 741564037 /nfs/dbraw/zinc/56/40/37/741564037.db2.gz LVUUCBXAKUBABT-UHFFFAOYSA-N 1 1 344.423 0.399 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3[nH]c(=O)[nH]c3C)C2)nn1 ZINC001105264436 741595529 /nfs/dbraw/zinc/59/55/29/741595529.db2.gz IXOWPLLFBQCGKN-UHFFFAOYSA-N 1 1 331.380 0.378 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4n[nH]cc4c3)C2)nn1 ZINC001105268587 741611392 /nfs/dbraw/zinc/61/13/92/741611392.db2.gz UGPSIHXCZDXUNF-UHFFFAOYSA-N 1 1 338.375 0.522 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3cc(C)nn3C)C2)nn1 ZINC001105280733 741637032 /nfs/dbraw/zinc/63/70/32/741637032.db2.gz ATXNIVJSHPSFKB-UHFFFAOYSA-N 1 1 343.435 0.612 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3nccn3C)C2)nn1 ZINC001105288533 741649011 /nfs/dbraw/zinc/64/90/11/741649011.db2.gz QRCGWJYRWRUDJT-UHFFFAOYSA-N 1 1 329.408 0.303 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3nc(C)no3)C2)nn1 ZINC001105297907 741675862 /nfs/dbraw/zinc/67/58/62/741675862.db2.gz XVWVBRMFNGUCEY-UHFFFAOYSA-N 1 1 331.380 0.261 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](F)C(C)C)C2)nn1 ZINC001105308410 741709921 /nfs/dbraw/zinc/70/99/21/741709921.db2.gz NTFSRAPZRCGFGZ-OAHLLOKOSA-N 1 1 339.415 0.948 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccc(=O)[nH]c3)C2)nn1 ZINC001105312471 741729335 /nfs/dbraw/zinc/72/93/35/741729335.db2.gz NTQMHESSHQIJRB-UHFFFAOYSA-N 1 1 342.403 0.670 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001026731487 741732712 /nfs/dbraw/zinc/73/27/12/741732712.db2.gz WDGCSONNUYBSSM-UONOGXRCSA-N 1 1 331.420 0.557 20 30 ECEDMO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974473661 741780790 /nfs/dbraw/zinc/78/07/90/741780790.db2.gz VCWMLIJFWPZDTI-ZIAGYGMSSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974473661 741780791 /nfs/dbraw/zinc/78/07/91/741780791.db2.gz VCWMLIJFWPZDTI-ZIAGYGMSSA-N 1 1 329.404 0.605 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCOC[C@H]3C)C2)nn1 ZINC001105322121 741784066 /nfs/dbraw/zinc/78/40/66/741784066.db2.gz ALKJMCWBVLQVED-CZUORRHYSA-N 1 1 333.436 1.000 20 30 ECEDMO COCc1noc(C[NH2+]C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001026789323 741829837 /nfs/dbraw/zinc/82/98/37/741829837.db2.gz WMGLWGNGILNFBY-LLVKDONJSA-N 1 1 344.375 0.668 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ncc[nH]3)C(C)(C)C2)C1=O ZINC000974567663 741901347 /nfs/dbraw/zinc/90/13/47/741901347.db2.gz MEDKRAKSZOTIHR-CHWSQXEVSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ncc[nH]3)C(C)(C)C2)C1=O ZINC000974567663 741901351 /nfs/dbraw/zinc/90/13/51/741901351.db2.gz MEDKRAKSZOTIHR-CHWSQXEVSA-N 1 1 331.420 0.637 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974602687 741925008 /nfs/dbraw/zinc/92/50/08/741925008.db2.gz LSNDDYPURHHUDD-HNNXBMFYSA-N 1 1 339.403 0.572 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974602687 741925011 /nfs/dbraw/zinc/92/50/11/741925011.db2.gz LSNDDYPURHHUDD-HNNXBMFYSA-N 1 1 339.403 0.572 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974639467 741959920 /nfs/dbraw/zinc/95/99/20/741959920.db2.gz HQVRBAVKAVSRKW-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3ccnnc3)C2)nn1 ZINC001105333498 741985286 /nfs/dbraw/zinc/98/52/86/741985286.db2.gz LKMNUNUFXHENPH-UHFFFAOYSA-N 1 1 343.391 0.057 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC34CC4)C2)nn1 ZINC001105332805 741986632 /nfs/dbraw/zinc/98/66/32/741986632.db2.gz AAZPPSRQVZLGGI-OAHLLOKOSA-N 1 1 331.420 0.754 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1scnc1C(C)C ZINC001114939730 742042604 /nfs/dbraw/zinc/04/26/04/742042604.db2.gz NPEYISOGGSPCPE-JYAVWHMHSA-N 1 1 346.456 0.676 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1scnc1C(C)C ZINC001114939730 742042610 /nfs/dbraw/zinc/04/26/10/742042610.db2.gz NPEYISOGGSPCPE-JYAVWHMHSA-N 1 1 346.456 0.676 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001026888322 742045824 /nfs/dbraw/zinc/04/58/24/742045824.db2.gz DADPCSLHIFXBOM-CYBMUJFWSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnn(C)c3)C2)C1=O ZINC001006697493 751692284 /nfs/dbraw/zinc/69/22/84/751692284.db2.gz INQAHQSBAVYLGM-HUUCEWRRSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn(C)c3)C2)C1=O ZINC001006697493 751692289 /nfs/dbraw/zinc/69/22/89/751692289.db2.gz INQAHQSBAVYLGM-HUUCEWRRSA-N 1 1 331.420 0.401 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000974878888 742279593 /nfs/dbraw/zinc/27/95/93/742279593.db2.gz MCDJFHHXCHXJAM-KBPBESRZSA-N 1 1 329.404 0.215 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)C(C)(C)C1 ZINC000974893001 742299855 /nfs/dbraw/zinc/29/98/55/742299855.db2.gz LBPLUWKSVVRNST-AWEZNQCLSA-N 1 1 341.415 0.346 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1 ZINC000975027963 742460289 /nfs/dbraw/zinc/46/02/89/742460289.db2.gz CWBFRXKVSYDGBQ-XHSDSOJGSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1 ZINC000975027963 742460294 /nfs/dbraw/zinc/46/02/94/742460294.db2.gz CWBFRXKVSYDGBQ-XHSDSOJGSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C(C)(C)C1 ZINC000975068184 742471071 /nfs/dbraw/zinc/47/10/71/742471071.db2.gz BGDKLZQQIGWJLT-OAHLLOKOSA-N 1 1 328.416 0.952 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000975067914 742470992 /nfs/dbraw/zinc/47/09/92/742470992.db2.gz ZVUIBCKTVQUTKK-ZIAGYGMSSA-N 1 1 330.436 0.476 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3ccnnc3)C(C)(C)C2)C1=O ZINC000975098083 742496365 /nfs/dbraw/zinc/49/63/65/742496365.db2.gz PSYVESBERCRQNO-GJZGRUSLSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3ccnnc3)C(C)(C)C2)C1=O ZINC000975098083 742496369 /nfs/dbraw/zinc/49/63/69/742496369.db2.gz PSYVESBERCRQNO-GJZGRUSLSA-N 1 1 343.431 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000975212763 742609811 /nfs/dbraw/zinc/60/98/11/742609811.db2.gz KPETZCOFAPOKLR-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000975212763 742609813 /nfs/dbraw/zinc/60/98/13/742609813.db2.gz KPETZCOFAPOKLR-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[NH+]1CCC2(CC1)CN(C(=O)c1[nH]nnc1C)C[C@H](C)O2 ZINC001098623449 742645039 /nfs/dbraw/zinc/64/50/39/742645039.db2.gz HWDOKIRRNVGCDZ-ZDUSSCGKSA-N 1 1 331.420 0.832 20 30 ECEDMO CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261939977 742864949 /nfs/dbraw/zinc/86/49/49/742864949.db2.gz DHROCPKCHZVQOS-JGGQBBKZSA-N 1 1 326.510 0.892 20 30 ECEDMO CN1CC(C(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)=NC1=O ZINC000996789144 742867355 /nfs/dbraw/zinc/86/73/55/742867355.db2.gz PIKWNGFUOHNKQA-UHFFFAOYSA-N 1 1 346.435 0.308 20 30 ECEDMO C#CCN1CC[NH+](C2CCC(NC(=O)Cc3nnc[nH]3)CC2)CC1 ZINC000996795727 742878040 /nfs/dbraw/zinc/87/80/40/742878040.db2.gz PTVAWKYHWDHZFI-UHFFFAOYSA-N 1 1 330.436 0.025 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cn(CC)cn3)C2)C1=O ZINC001028932260 742900662 /nfs/dbraw/zinc/90/06/62/742900662.db2.gz FLMLVKSVBKLKJN-GOEBONIOSA-N 1 1 345.447 0.742 20 30 ECEDMO O=C(NC[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001028936533 742919488 /nfs/dbraw/zinc/91/94/88/742919488.db2.gz ZLDYMCMKWFQGPZ-WBVHZDCISA-N 1 1 343.402 0.894 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)ccc1F ZINC001028936450 742919510 /nfs/dbraw/zinc/91/95/10/742919510.db2.gz XTLKWQGBJVOAHY-BBRMVZONSA-N 1 1 344.390 0.914 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001028939967 742936972 /nfs/dbraw/zinc/93/69/72/742936972.db2.gz VSNQAFXDCWRZAK-ZFWWWQNUSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC001028940957 742939103 /nfs/dbraw/zinc/93/91/03/742939103.db2.gz RXCRTCPWRZBKGX-CYBMUJFWSA-N 1 1 326.400 0.393 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001075752700 743109838 /nfs/dbraw/zinc/10/98/38/743109838.db2.gz LBGPQBGXTOMLJZ-ARFHVFGLSA-N 1 1 340.383 0.699 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001075752700 743109841 /nfs/dbraw/zinc/10/98/41/743109841.db2.gz LBGPQBGXTOMLJZ-ARFHVFGLSA-N 1 1 340.383 0.699 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(CC(=O)NC3CC3)C2)CC1 ZINC001029001641 743154093 /nfs/dbraw/zinc/15/40/93/743154093.db2.gz AZHPPGUYVHIKKS-HNNXBMFYSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(-c2ccco2)oc1C ZINC001125999114 743182443 /nfs/dbraw/zinc/18/24/43/743182443.db2.gz XUYXKEMNARPDRU-UHFFFAOYSA-N 1 1 344.371 0.588 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997063110 743187191 /nfs/dbraw/zinc/18/71/91/743187191.db2.gz HDPBSWZLHDKHJE-OZGNBKOKSA-N 1 1 347.459 0.779 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](CNCc3nonc3C)C2)CC1 ZINC001027233806 743244690 /nfs/dbraw/zinc/24/46/90/743244690.db2.gz KLHHPDUOHFAYHS-OAHLLOKOSA-N 1 1 345.447 0.661 20 30 ECEDMO CC[C@H](F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112143558 743265255 /nfs/dbraw/zinc/26/52/55/743265255.db2.gz BSEGRPWGFDRJGM-KXUCPTDWSA-N 1 1 338.305 0.353 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112143965 743301039 /nfs/dbraw/zinc/30/10/39/743301039.db2.gz NGPMAQKKXMPDGE-NNYUYHANSA-N 1 1 331.338 0.371 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000997244934 743401801 /nfs/dbraw/zinc/40/18/01/743401801.db2.gz CXCKVRSJHJRBGK-KDOFPFPSSA-N 1 1 339.439 0.735 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC(NCc3nncs3)CC2)CC1 ZINC000997363742 743535216 /nfs/dbraw/zinc/53/52/16/743535216.db2.gz JAOATQATMCDLNV-UHFFFAOYSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC(NCc3ncnn3C)CC2)CC1 ZINC000997365045 743536094 /nfs/dbraw/zinc/53/60/94/743536094.db2.gz QKLFURMIWOXEQE-UHFFFAOYSA-N 1 1 344.463 0.241 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)C1 ZINC001020584630 751838074 /nfs/dbraw/zinc/83/80/74/751838074.db2.gz JKPFENVSALZKOJ-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2oncc2C)C1 ZINC001006794831 751840313 /nfs/dbraw/zinc/84/03/13/751840313.db2.gz ZIXWQNKKVNNNST-HIFRSBDPSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2oncc2C)C1 ZINC001006794831 751840318 /nfs/dbraw/zinc/84/03/18/751840318.db2.gz ZIXWQNKKVNNNST-HIFRSBDPSA-N 1 1 344.415 0.657 20 30 ECEDMO CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC000997430675 743609444 /nfs/dbraw/zinc/60/94/44/743609444.db2.gz GWZNUIVDXBPMAD-HIFRSBDPSA-N 1 1 326.462 0.804 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)C1=O ZINC001027315532 743644703 /nfs/dbraw/zinc/64/47/03/743644703.db2.gz YQTSSGMLGLHGOY-CABCVRRESA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000997634711 743723259 /nfs/dbraw/zinc/72/32/59/743723259.db2.gz FXFYMJNGBRPAGW-MRXNPFEDSA-N 1 1 345.447 0.567 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC000976265089 743762230 /nfs/dbraw/zinc/76/22/30/743762230.db2.gz ANTIICUXDRPIHM-TWMKSMIVSA-N 1 1 338.411 0.344 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)CCN2CCCS2(=O)=O)C1 ZINC001027336250 743795518 /nfs/dbraw/zinc/79/55/18/743795518.db2.gz OSFYZHULWVTHCJ-KBPBESRZSA-N 1 1 342.465 0.104 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000976312802 743820943 /nfs/dbraw/zinc/82/09/43/743820943.db2.gz UHUJSCSZOBORFQ-LJISPDSOSA-N 1 1 333.432 0.246 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000976312802 743820945 /nfs/dbraw/zinc/82/09/45/743820945.db2.gz UHUJSCSZOBORFQ-LJISPDSOSA-N 1 1 333.432 0.246 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000976331533 743829178 /nfs/dbraw/zinc/82/91/78/743829178.db2.gz USKRXBGNPDLTHO-CVGURMSBSA-N 1 1 341.415 0.415 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OCC=C)cc2)C1 ZINC001078243391 782545144 /nfs/dbraw/zinc/54/51/44/782545144.db2.gz JFRBSQYDOVRSSK-QZTJIDSGSA-N 1 1 328.412 0.979 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000998053451 743949961 /nfs/dbraw/zinc/94/99/61/743949961.db2.gz RRLYORLXOPBPOX-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000998137095 743999495 /nfs/dbraw/zinc/99/94/95/743999495.db2.gz WZATZERXYBZIPD-KBPBESRZSA-N 1 1 334.420 0.311 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027373354 744038146 /nfs/dbraw/zinc/03/81/46/744038146.db2.gz KMPZCIZZTUBUOU-OAHLLOKOSA-N 1 1 344.419 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000998193771 744042332 /nfs/dbraw/zinc/04/23/32/744042332.db2.gz BZVLUIMKQOLKLP-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982292725 751882579 /nfs/dbraw/zinc/88/25/79/751882579.db2.gz UZCFCLDIZMTDCQ-IYBDPMFKSA-N 1 1 341.477 0.378 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnnn3C)C2)C1=O ZINC001027392484 744138088 /nfs/dbraw/zinc/13/80/88/744138088.db2.gz RNWFGIKXSFDCNY-UONOGXRCSA-N 1 1 346.435 0.138 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC(C)(F)F)C[C@H]21 ZINC000976734791 744259316 /nfs/dbraw/zinc/25/93/16/744259316.db2.gz JBDSADFCBXIZBU-SFDCQRBFSA-N 1 1 339.386 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC(C)(F)F)C[C@H]21 ZINC000976734791 744259321 /nfs/dbraw/zinc/25/93/21/744259321.db2.gz JBDSADFCBXIZBU-SFDCQRBFSA-N 1 1 339.386 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CC4(CC4)C3)C[C@H]21 ZINC000976735736 744260811 /nfs/dbraw/zinc/26/08/11/744260811.db2.gz KZIYDLHROWXWIJ-VVLHAWIVSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CC4(CC4)C3)C[C@H]21 ZINC000976735736 744260816 /nfs/dbraw/zinc/26/08/16/744260816.db2.gz KZIYDLHROWXWIJ-VVLHAWIVSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)C(C)C)C[C@H]21 ZINC000976736499 744261959 /nfs/dbraw/zinc/26/19/59/744261959.db2.gz NMLPJYDGVSUASZ-NRKLIOEPSA-N 1 1 331.460 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)C(C)C)C[C@H]21 ZINC000976736499 744261962 /nfs/dbraw/zinc/26/19/62/744261962.db2.gz NMLPJYDGVSUASZ-NRKLIOEPSA-N 1 1 331.460 0.949 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CC([NH2+]Cc2nnnn2C2CC2)C1 ZINC000998651165 744268046 /nfs/dbraw/zinc/26/80/46/744268046.db2.gz CSRWSWXEOJJZFK-UHFFFAOYSA-N 1 1 340.391 0.601 20 30 ECEDMO CCCn1nnnc1C[NH2+]C1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000998660540 744273237 /nfs/dbraw/zinc/27/32/37/744273237.db2.gz LYSKJNDSDQMDPB-UHFFFAOYSA-N 1 1 342.407 0.676 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000976757992 744273445 /nfs/dbraw/zinc/27/34/45/744273445.db2.gz ZELOORZFHZOZQF-TVRAHDOYSA-N 1 1 349.475 0.881 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000976757992 744273447 /nfs/dbraw/zinc/27/34/47/744273447.db2.gz ZELOORZFHZOZQF-TVRAHDOYSA-N 1 1 349.475 0.881 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3coc(C)n3)C[C@H]21 ZINC000976743567 744279628 /nfs/dbraw/zinc/27/96/28/744279628.db2.gz ZAERTAQFDXIDIE-LQKXBSAESA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3coc(C)n3)C[C@H]21 ZINC000976743567 744279630 /nfs/dbraw/zinc/27/96/30/744279630.db2.gz ZAERTAQFDXIDIE-LQKXBSAESA-N 1 1 342.399 0.267 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001006859022 751909892 /nfs/dbraw/zinc/90/98/92/751909892.db2.gz VSOAKZUIJNOTQN-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001006859022 751909899 /nfs/dbraw/zinc/90/98/99/751909899.db2.gz VSOAKZUIJNOTQN-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 ZINC000976804371 744343655 /nfs/dbraw/zinc/34/36/55/744343655.db2.gz HXEWGXGQEBKYRJ-LJIZCISZSA-N 1 1 332.448 0.839 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCc3nc[nH]n3)C2)C1=O ZINC000998860567 744375971 /nfs/dbraw/zinc/37/59/71/744375971.db2.gz WHUXCDHEJCIMJX-KGLIPLIRSA-N 1 1 346.435 0.105 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(F)c[nH]1 ZINC000976852945 744399967 /nfs/dbraw/zinc/39/99/67/744399967.db2.gz KHHXXTVGQKBIBZ-LQKXBSAESA-N 1 1 344.390 0.438 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(F)c[nH]1 ZINC000976852945 744399971 /nfs/dbraw/zinc/39/99/71/744399971.db2.gz KHHXXTVGQKBIBZ-LQKXBSAESA-N 1 1 344.390 0.438 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1 ZINC000976862069 744414410 /nfs/dbraw/zinc/41/44/10/744414410.db2.gz OMFRHXGQBUCDRB-CVGURMSBSA-N 1 1 341.415 0.415 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3CCF)C2)[nH]1 ZINC000998961455 744432249 /nfs/dbraw/zinc/43/22/49/744432249.db2.gz NMUDYJPGWYTRPE-CYBMUJFWSA-N 1 1 345.382 0.842 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3CCF)C2)c[nH]1 ZINC000998967317 744437877 /nfs/dbraw/zinc/43/78/77/744437877.db2.gz AKYWYMCDTMMRPE-ZDUSSCGKSA-N 1 1 345.382 0.842 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000998968594 744438837 /nfs/dbraw/zinc/43/88/37/744438837.db2.gz GMIQTTIMJAQLID-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001028250142 751920674 /nfs/dbraw/zinc/92/06/74/751920674.db2.gz SAMRFMYUWBGFKS-OAHLLOKOSA-N 1 1 331.420 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2ncccn2)C1 ZINC001027446908 744488007 /nfs/dbraw/zinc/48/80/07/744488007.db2.gz XGCPSGJBWBBMEV-IRXDYDNUSA-N 1 1 341.459 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2ncccn2)C1 ZINC001027446908 744488009 /nfs/dbraw/zinc/48/80/09/744488009.db2.gz XGCPSGJBWBBMEV-IRXDYDNUSA-N 1 1 341.459 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000999215614 744571547 /nfs/dbraw/zinc/57/15/47/744571547.db2.gz PFBJPPWINUJGIW-ZDUSSCGKSA-N 1 1 334.807 0.706 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000999215614 744571551 /nfs/dbraw/zinc/57/15/51/744571551.db2.gz PFBJPPWINUJGIW-ZDUSSCGKSA-N 1 1 334.807 0.706 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000999319809 744624167 /nfs/dbraw/zinc/62/41/67/744624167.db2.gz MLWXAJWUFYMIMS-BLLLJJGKSA-N 1 1 326.400 0.201 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000977195314 744745906 /nfs/dbraw/zinc/74/59/06/744745906.db2.gz AGLPSSSBJORXJH-CVGURMSBSA-N 1 1 341.415 0.557 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC000977201213 744779289 /nfs/dbraw/zinc/77/92/89/744779289.db2.gz COYMWHZPWLVUOK-ZYIUAKIQSA-N 1 1 341.415 0.415 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)N2CCOCC2)C1 ZINC001027521568 744970297 /nfs/dbraw/zinc/97/02/97/744970297.db2.gz GRPQGZCUFWOUFQ-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)N2CCOCC2)C1 ZINC001027521568 744970300 /nfs/dbraw/zinc/97/03/00/744970300.db2.gz GRPQGZCUFWOUFQ-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CC(NCc3nncn3C)C2)CC1 ZINC000999870015 744970398 /nfs/dbraw/zinc/97/03/98/744970398.db2.gz JSDHJUDSKVXERQ-UHFFFAOYSA-N 1 1 344.463 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ncoc1C ZINC000977461477 745043963 /nfs/dbraw/zinc/04/39/63/745043963.db2.gz MNJUFUDKHMJHDG-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ncoc1C ZINC000977461477 745043970 /nfs/dbraw/zinc/04/39/70/745043970.db2.gz MNJUFUDKHMJHDG-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000977461640 745044808 /nfs/dbraw/zinc/04/48/08/745044808.db2.gz LTZVALOKUQWPOZ-GFCCVEGCSA-N 1 1 330.392 0.434 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2ccnc3nc(C)nn32)C(C)(C)C1 ZINC000977464179 745048918 /nfs/dbraw/zinc/04/89/18/745048918.db2.gz FYVMDEGBTNTQQL-AWEZNQCLSA-N 1 1 326.404 0.896 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccnc3nc(C)nn32)C(C)(C)C1 ZINC000977464179 745048924 /nfs/dbraw/zinc/04/89/24/745048924.db2.gz FYVMDEGBTNTQQL-AWEZNQCLSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C)cn3)nn2)C1 ZINC000999950367 745087392 /nfs/dbraw/zinc/08/73/92/745087392.db2.gz MUGOEXTYXNANBT-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)n(C)n3)nn2)C1 ZINC000999960078 745101350 /nfs/dbraw/zinc/10/13/50/745101350.db2.gz BLFBERMGHOJSHM-AWEZNQCLSA-N 1 1 327.392 0.130 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)n[nH]3)nn2)C1 ZINC000999960100 745101371 /nfs/dbraw/zinc/10/13/71/745101371.db2.gz BPWVCSXWGLACCO-CQSZACIVSA-N 1 1 327.392 0.510 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC000999961960 745104356 /nfs/dbraw/zinc/10/43/56/745104356.db2.gz NWDCMTHZUCLSQK-CQSZACIVSA-N 1 1 325.376 0.268 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nnn(C)c3C)nn2)C1 ZINC000999969380 745114726 /nfs/dbraw/zinc/11/47/26/745114726.db2.gz BNFOJPGOCCTECO-AWEZNQCLSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc[nH]c(=O)c3)nn2)C1 ZINC000999970478 745117822 /nfs/dbraw/zinc/11/78/22/745117822.db2.gz HWRKTYOAWJVPDR-CQSZACIVSA-N 1 1 328.376 0.742 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CN(C)CCO3)nn2)C1 ZINC000999970263 745117876 /nfs/dbraw/zinc/11/78/76/745117876.db2.gz AYQDVJQEHNDEIR-HOTGVXAUSA-N 1 1 348.451 0.048 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC000999971805 745120051 /nfs/dbraw/zinc/12/00/51/745120051.db2.gz QFPCFFJMXBYUTI-CYBMUJFWSA-N 1 1 349.826 0.941 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC000999971805 745120053 /nfs/dbraw/zinc/12/00/53/745120053.db2.gz QFPCFFJMXBYUTI-CYBMUJFWSA-N 1 1 349.826 0.941 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 ZINC000999976356 745125573 /nfs/dbraw/zinc/12/55/73/745125573.db2.gz UYBREHSDZZAGRI-OAHLLOKOSA-N 1 1 337.387 0.678 20 30 ECEDMO COCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC000999981708 745133130 /nfs/dbraw/zinc/13/31/30/745133130.db2.gz WCMHADXRVDBYQJ-CQSZACIVSA-N 1 1 343.391 0.301 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCCNC3=O)CC2(C)C)nc1 ZINC000977514173 745134988 /nfs/dbraw/zinc/13/49/88/745134988.db2.gz OLVPGDXCQPABKU-CVEARBPZSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC2(C)C)nc1 ZINC000977514173 745134992 /nfs/dbraw/zinc/13/49/92/745134992.db2.gz OLVPGDXCQPABKU-CVEARBPZSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)nc1 ZINC000977523470 745141532 /nfs/dbraw/zinc/14/15/32/745141532.db2.gz JAQBQPRMYPALSN-HZPDHXFCSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)nc1 ZINC000977523470 745141535 /nfs/dbraw/zinc/14/15/35/745141535.db2.gz JAQBQPRMYPALSN-HZPDHXFCSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC(=O)N(CC)C3)nn2)C1 ZINC000999987427 745142853 /nfs/dbraw/zinc/14/28/53/745142853.db2.gz NZYHAFFDFXSRNX-ZFWWWQNUSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999987973 745143712 /nfs/dbraw/zinc/14/37/12/745143712.db2.gz RQUIBDDTCLTRSN-IRXDYDNUSA-N 1 1 342.447 0.116 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 ZINC000999990423 745147513 /nfs/dbraw/zinc/14/75/13/745147513.db2.gz KBLLWCCNQQZAIG-AWEZNQCLSA-N 1 1 344.423 0.550 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 ZINC000999990539 745147679 /nfs/dbraw/zinc/14/76/79/745147679.db2.gz KXYOHCHSFSSIEE-ZDUSSCGKSA-N 1 1 330.396 0.160 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCNC3=O)nn2)C1 ZINC000999993358 745151044 /nfs/dbraw/zinc/15/10/44/745151044.db2.gz SAXLBNRBVYYSOC-HUUCEWRRSA-N 1 1 346.435 0.243 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccns3)nn2)C1 ZINC000999993749 745152191 /nfs/dbraw/zinc/15/21/91/745152191.db2.gz VBCQTVHDOKWYGX-CYBMUJFWSA-N 1 1 330.417 0.935 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000977540129 745164271 /nfs/dbraw/zinc/16/42/71/745164271.db2.gz MLASXXOSIKTMSQ-CQSZACIVSA-N 1 1 335.452 0.683 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(COC)o3)nn2)C1 ZINC001000002182 745166042 /nfs/dbraw/zinc/16/60/42/745166042.db2.gz IBBQPBMRPJCZFI-CQSZACIVSA-N 1 1 343.387 0.828 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(=O)n(C)c3)nn2)C1 ZINC001000002526 745166467 /nfs/dbraw/zinc/16/64/67/745166467.db2.gz JWMSWOHGVRSTEO-OAHLLOKOSA-N 1 1 342.403 0.340 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cccc(C(=O)NC)n2)C(C)(C)C1 ZINC000977549484 745171326 /nfs/dbraw/zinc/17/13/26/745171326.db2.gz ZIHLTUJPXFCEKD-HNNXBMFYSA-N 1 1 328.416 0.905 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2cccc(C(=O)NC)n2)C(C)(C)C1 ZINC000977549484 745171331 /nfs/dbraw/zinc/17/13/31/745171331.db2.gz ZIHLTUJPXFCEKD-HNNXBMFYSA-N 1 1 328.416 0.905 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCN(C)C3=O)nn2)C1 ZINC001000007215 745175281 /nfs/dbraw/zinc/17/52/81/745175281.db2.gz BGRDPDHEYBKVIE-GJZGRUSLSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC(=O)N3C)nn2)C1 ZINC001000010790 745179026 /nfs/dbraw/zinc/17/90/26/745179026.db2.gz QWTULADQGUTYOH-LSDHHAIUSA-N 1 1 346.435 0.338 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001000018391 745188758 /nfs/dbraw/zinc/18/87/58/745188758.db2.gz QTZUGDUTJUWMMQ-UGQVUOCMSA-N 1 1 335.448 0.635 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C)nn2)C1 ZINC001000020232 745191376 /nfs/dbraw/zinc/19/13/76/745191376.db2.gz KYEVZSBMAKEXQX-BMFZPTHFSA-N 1 1 331.420 0.589 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnoc3CC)nn2)C1 ZINC001000025921 745197944 /nfs/dbraw/zinc/19/79/44/745197944.db2.gz RMTJJEXYHZEEBO-ZDUSSCGKSA-N 1 1 328.376 0.639 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3conc3C3CC3)nn2)C1 ZINC001000027470 745199279 /nfs/dbraw/zinc/19/92/79/745199279.db2.gz ZKAHJPJVCRGBMF-CQSZACIVSA-N 1 1 340.387 0.954 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@@H]3CC[N@@H+](CCF)C3)nn2)nc1 ZINC001000032879 745206831 /nfs/dbraw/zinc/20/68/31/745206831.db2.gz ARFJMZVDQHPDRJ-OAHLLOKOSA-N 1 1 342.378 0.801 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@@H]3CC[N@H+](CCF)C3)nn2)nc1 ZINC001000032879 745206835 /nfs/dbraw/zinc/20/68/35/745206835.db2.gz ARFJMZVDQHPDRJ-OAHLLOKOSA-N 1 1 342.378 0.801 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)nc3Cl)nn2)C1 ZINC001000032543 745206935 /nfs/dbraw/zinc/20/69/35/745206935.db2.gz DDIOJUOBEYYVBA-LBPRGKRZSA-N 1 1 347.810 0.475 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1=O ZINC001075771172 745208824 /nfs/dbraw/zinc/20/88/24/745208824.db2.gz USOFODCQFLORBK-GVDBMIGSSA-N 1 1 329.444 0.942 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)onc3CC)nn2)C1 ZINC001000041302 745220572 /nfs/dbraw/zinc/22/05/72/745220572.db2.gz ACAZGDGBZLBIPP-CQSZACIVSA-N 1 1 342.403 0.947 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnc(C)n3)nn2)C1 ZINC001000041588 745221120 /nfs/dbraw/zinc/22/11/20/745221120.db2.gz GNBCVKXORGSJAK-AWEZNQCLSA-N 1 1 327.392 0.739 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccn3CC)nn2)C1 ZINC001000045350 745226563 /nfs/dbraw/zinc/22/65/63/745226563.db2.gz PMZIJLTZXFENAB-HNNXBMFYSA-N 1 1 326.404 0.910 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@]3(C)CCC(=O)N3)C2)nn1 ZINC001105385046 745261083 /nfs/dbraw/zinc/26/10/83/745261083.db2.gz SYQZDHLDMQYWEQ-QGZVFWFLSA-N 1 1 346.435 0.386 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(OC)ncnc2OC)C(C)(C)C1 ZINC000977637234 745298759 /nfs/dbraw/zinc/29/87/59/745298759.db2.gz CWIASUCJMPKEID-GFCCVEGCSA-N 1 1 332.404 0.957 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ncccc3C#N)C2)C1 ZINC001059234961 745302046 /nfs/dbraw/zinc/30/20/46/745302046.db2.gz CIEZGMORSMPCAY-RBSFLKMASA-N 1 1 329.404 0.733 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ncccc3C#N)C2)C1 ZINC001059234961 745302055 /nfs/dbraw/zinc/30/20/55/745302055.db2.gz CIEZGMORSMPCAY-RBSFLKMASA-N 1 1 329.404 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(C)(C)C1 ZINC000977623705 745311493 /nfs/dbraw/zinc/31/14/93/745311493.db2.gz VKLHPIRCVOURFC-AWEZNQCLSA-N 1 1 348.451 0.383 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001075780650 745324002 /nfs/dbraw/zinc/32/40/02/745324002.db2.gz SSGAIVNDSVRENK-YESZJQIVSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ncc[nH]1 ZINC000977700158 745389582 /nfs/dbraw/zinc/38/95/82/745389582.db2.gz ULKMAMVYHSTXTD-KBPBESRZSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ncc[nH]1 ZINC000977700158 745389587 /nfs/dbraw/zinc/38/95/87/745389587.db2.gz ULKMAMVYHSTXTD-KBPBESRZSA-N 1 1 329.404 0.180 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cccnc4)[C@@H]3C2)C1=O ZINC000977709026 745415462 /nfs/dbraw/zinc/41/54/62/745415462.db2.gz JSIDEUIKGZDKOU-NXOAAHMSSA-N 1 1 340.427 0.776 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccco4)[C@@H]3C2)C1=O ZINC000977714076 745421817 /nfs/dbraw/zinc/42/18/17/745421817.db2.gz QAFNLPDLWNQZOF-APIJFGDWSA-N 1 1 329.400 0.974 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ncccn3)C2)nn1 ZINC001000402148 745477367 /nfs/dbraw/zinc/47/73/67/745477367.db2.gz HOGGAUNVOCSFPH-ZDUSSCGKSA-N 1 1 327.392 0.649 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000977776140 745496059 /nfs/dbraw/zinc/49/60/59/745496059.db2.gz RIIFEPSBTLXXTK-WBVHZDCISA-N 1 1 340.427 0.688 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)[nH]1 ZINC001029275765 745505082 /nfs/dbraw/zinc/50/50/82/745505082.db2.gz ODAFETVIOVAFKM-GUTXKFCHSA-N 1 1 327.388 0.454 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000982345612 752013498 /nfs/dbraw/zinc/01/34/98/752013498.db2.gz SUQMPVRGRSEPHY-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000982345612 752013505 /nfs/dbraw/zinc/01/35/05/752013505.db2.gz SUQMPVRGRSEPHY-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@H+]([C@H]3CCCNC3=O)CC2)c1 ZINC001000565262 745600227 /nfs/dbraw/zinc/60/02/27/745600227.db2.gz XXCCIGDUBGJTPD-HNNXBMFYSA-N 1 1 327.388 0.527 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001006968087 752016669 /nfs/dbraw/zinc/01/66/69/752016669.db2.gz XAPYTWIADURHRV-CVEARBPZSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001006968087 752016673 /nfs/dbraw/zinc/01/66/73/752016673.db2.gz XAPYTWIADURHRV-CVEARBPZSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)C4=COCCC4)[C@@H]3C2)C1=O ZINC000977897266 745625612 /nfs/dbraw/zinc/62/56/12/745625612.db2.gz KNLVEJAFHDLJLC-NXOAAHMSSA-N 1 1 345.443 0.762 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001000600278 745626443 /nfs/dbraw/zinc/62/64/43/745626443.db2.gz SVKAYQNXIYRTHL-LBPRGKRZSA-N 1 1 341.415 0.915 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001000600278 745626447 /nfs/dbraw/zinc/62/64/47/745626447.db2.gz SVKAYQNXIYRTHL-LBPRGKRZSA-N 1 1 341.415 0.915 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccon3)[C@H]2CC)C1=O ZINC001087525064 745660026 /nfs/dbraw/zinc/66/00/26/745660026.db2.gz CCKUBRUWGLFPDN-XHSDSOJGSA-N 1 1 346.431 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc[nH]n1 ZINC000977925976 745679150 /nfs/dbraw/zinc/67/91/50/745679150.db2.gz IPMOPRXMYWXNBK-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc[nH]n1 ZINC000977925976 745679151 /nfs/dbraw/zinc/67/91/51/745679151.db2.gz IPMOPRXMYWXNBK-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccn[nH]1 ZINC000977925976 745679152 /nfs/dbraw/zinc/67/91/52/745679152.db2.gz IPMOPRXMYWXNBK-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccn[nH]1 ZINC000977925976 745679153 /nfs/dbraw/zinc/67/91/53/745679153.db2.gz IPMOPRXMYWXNBK-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+]1[C@@H](CC)C(N)=O ZINC001028270830 752026781 /nfs/dbraw/zinc/02/67/81/752026781.db2.gz UFGGYOVVYVEKNN-HIFRSBDPSA-N 1 1 344.415 0.552 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@@H](CC)C(N)=O ZINC001028270830 752026792 /nfs/dbraw/zinc/02/67/92/752026792.db2.gz UFGGYOVVYVEKNN-HIFRSBDPSA-N 1 1 344.415 0.552 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)c1 ZINC000977964375 745725711 /nfs/dbraw/zinc/72/57/11/745725711.db2.gz OGVZDWICHYWPMQ-QKDCVEJESA-N 1 1 341.415 0.416 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)cn1 ZINC001000730228 745728581 /nfs/dbraw/zinc/72/85/81/745728581.db2.gz UKDGZGBXATWNCN-WFASDCNBSA-N 1 1 339.403 0.542 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC001000756929 745748259 /nfs/dbraw/zinc/74/82/59/745748259.db2.gz LCZGSMACCRPAOF-UHFFFAOYSA-N 1 1 341.411 0.936 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cscn4)[C@@H]3C2)C1=O ZINC000977969591 745755980 /nfs/dbraw/zinc/75/59/80/745755980.db2.gz PJXFNNKJJQZKCE-XPCVCDNBSA-N 1 1 346.456 0.838 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCOC1 ZINC001029342248 745758551 /nfs/dbraw/zinc/75/85/51/745758551.db2.gz FCTKBJHGAFDIRE-FJIDUMEYSA-N 1 1 331.460 0.796 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001029342457 745758984 /nfs/dbraw/zinc/75/89/84/745758984.db2.gz PQINBQIGMBQDBS-TWMKSMIVSA-N 1 1 344.459 0.038 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC000978019283 745804468 /nfs/dbraw/zinc/80/44/68/745804468.db2.gz IPISAJHTRRYZGI-HGTKMLMNSA-N 1 1 341.415 0.415 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)NC2CC2)nc1 ZINC001028271698 752038868 /nfs/dbraw/zinc/03/88/68/752038868.db2.gz MHQGVNHTTCTTHK-CZUORRHYSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2CC2)nc1 ZINC001028271698 752038872 /nfs/dbraw/zinc/03/88/72/752038872.db2.gz MHQGVNHTTCTTHK-CZUORRHYSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1csnn1 ZINC000978072151 745879081 /nfs/dbraw/zinc/87/90/81/745879081.db2.gz XCWHCIYBTFFBKC-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1csnn1 ZINC000978072151 745879089 /nfs/dbraw/zinc/87/90/89/745879089.db2.gz XCWHCIYBTFFBKC-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C=C(Br)CN1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007004050 752041504 /nfs/dbraw/zinc/04/15/04/752041504.db2.gz UDKXWMMCSCYRBU-STQMWFEESA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(Br)CN1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007004050 752041510 /nfs/dbraw/zinc/04/15/10/752041510.db2.gz UDKXWMMCSCYRBU-STQMWFEESA-N 1 1 346.269 0.806 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3cnco3)CC2)C1=O ZINC001001014222 745979654 /nfs/dbraw/zinc/97/96/54/745979654.db2.gz GRSJLEIVWCFRMO-AWEZNQCLSA-N 1 1 330.388 0.823 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc[nH]c4)[C@@H]3C2)C1=O ZINC000978180708 745999095 /nfs/dbraw/zinc/99/90/95/745999095.db2.gz LEJKQGUCXJFIPZ-LVQVYYBASA-N 1 1 328.416 0.709 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)[C@@H]2C1 ZINC000978183092 746001577 /nfs/dbraw/zinc/00/15/77/746001577.db2.gz AYIZJRSOZCJLQP-VQHPVUNQSA-N 1 1 329.444 0.562 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ccnnc3)C2)C1=O ZINC001027592979 746004100 /nfs/dbraw/zinc/00/41/00/746004100.db2.gz YSPIXVSBFATUJE-HOTGVXAUSA-N 1 1 343.431 0.800 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(C#N)n3)C2)no1 ZINC001059342526 746044573 /nfs/dbraw/zinc/04/45/73/746044573.db2.gz UBEGRDCTDLRHJT-XYPYZODXSA-N 1 1 341.375 0.193 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001001080891 746056155 /nfs/dbraw/zinc/05/61/55/746056155.db2.gz PWGQHCIIBGUKMU-HNNXBMFYSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001001080891 746056159 /nfs/dbraw/zinc/05/61/59/746056159.db2.gz PWGQHCIIBGUKMU-HNNXBMFYSA-N 1 1 329.404 0.004 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(-c4cccnc4)nn3)[C@@H]2C1 ZINC000978245216 746075959 /nfs/dbraw/zinc/07/59/59/746075959.db2.gz OALIUUUNOFPXIS-PHZGNYQRSA-N 1 1 336.399 0.593 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@@H+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC001001129217 746099024 /nfs/dbraw/zinc/09/90/24/746099024.db2.gz RYRCLUKKMHOSBS-QGZVFWFLSA-N 1 1 338.411 0.656 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1CC ZINC001087593165 746104378 /nfs/dbraw/zinc/10/43/78/746104378.db2.gz RYDGUJJOVOVHGD-UONOGXRCSA-N 1 1 334.420 0.092 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2c3n(c(=O)n2C)CCCC3)CC1 ZINC001001144778 746111812 /nfs/dbraw/zinc/11/18/12/746111812.db2.gz OMQDEAYKCZXRGP-UHFFFAOYSA-N 1 1 342.443 0.908 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1CC ZINC001087628618 746130469 /nfs/dbraw/zinc/13/04/69/746130469.db2.gz DENDSLWIZDZTTE-NWDGAFQWSA-N 1 1 327.406 0.696 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@@]2(C)C1 ZINC000982373150 752063085 /nfs/dbraw/zinc/06/30/85/752063085.db2.gz AWIBHVQQIQAPTL-HDICACEKSA-N 1 1 329.400 0.801 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@@]2(C)C1 ZINC000982373150 752063091 /nfs/dbraw/zinc/06/30/91/752063091.db2.gz AWIBHVQQIQAPTL-HDICACEKSA-N 1 1 329.400 0.801 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H]1CC ZINC001087642215 746139471 /nfs/dbraw/zinc/13/94/71/746139471.db2.gz BEKDQEBTTLINNE-GXTWGEPZSA-N 1 1 328.372 0.628 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(C(CC)CC)C3)[C@@H]2C1 ZINC000978279487 746141340 /nfs/dbraw/zinc/14/13/40/746141340.db2.gz ZMKKXKLQRVEHKA-DZUCGIPZSA-N 1 1 331.460 0.951 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000978279728 746141750 /nfs/dbraw/zinc/14/17/50/746141750.db2.gz XTCXEVJIJYCGSO-PHZGNYQRSA-N 1 1 342.443 0.860 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001007062940 752066626 /nfs/dbraw/zinc/06/66/26/752066626.db2.gz JLVSUKZDCJUGOU-GDBMZVCRSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001007062940 752066635 /nfs/dbraw/zinc/06/66/35/752066635.db2.gz JLVSUKZDCJUGOU-GDBMZVCRSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001007062940 752066636 /nfs/dbraw/zinc/06/66/36/752066636.db2.gz JLVSUKZDCJUGOU-GDBMZVCRSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001007062940 752066645 /nfs/dbraw/zinc/06/66/45/752066645.db2.gz JLVSUKZDCJUGOU-GDBMZVCRSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+]([C@H]3CCN(C)C3=O)CC2)nn1 ZINC001001243030 746201132 /nfs/dbraw/zinc/20/11/32/746201132.db2.gz WRARQMRZEAQUCV-HNNXBMFYSA-N 1 1 344.419 0.057 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4c(n3)C[C@H](OC)CC4)[C@@H]2C1 ZINC000978336252 746218392 /nfs/dbraw/zinc/21/83/92/746218392.db2.gz MAQHDJCGIOOPOQ-FPCVCCKLSA-N 1 1 342.443 0.775 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3ncccn3)CC2)C1=O ZINC001001283583 746243632 /nfs/dbraw/zinc/24/36/32/746243632.db2.gz DXKIQOOYMJXOOM-HNNXBMFYSA-N 1 1 341.415 0.625 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)[C@@H]2CC)nn1 ZINC001087755098 746287890 /nfs/dbraw/zinc/28/78/90/746287890.db2.gz UGJZCFOVMHUGIR-GXTWGEPZSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)[C@@H]2CC)nn1 ZINC001087755098 746287893 /nfs/dbraw/zinc/28/78/93/746287893.db2.gz UGJZCFOVMHUGIR-GXTWGEPZSA-N 1 1 334.424 0.183 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001356229 746302910 /nfs/dbraw/zinc/30/29/10/746302910.db2.gz CKPJGUPRMIDTDT-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC001001378016 746323494 /nfs/dbraw/zinc/32/34/94/746323494.db2.gz DJSAUXKVWFIZMD-UHFFFAOYSA-N 1 1 337.379 0.955 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1CC ZINC001087794752 746359232 /nfs/dbraw/zinc/35/92/32/746359232.db2.gz ZNWVLFKGECMIJH-UONOGXRCSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccn(C)c2)C1 ZINC001001431736 746369770 /nfs/dbraw/zinc/36/97/70/746369770.db2.gz KWHXBZWEGUJZLH-INIZCTEOSA-N 1 1 328.416 0.311 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccn(C)c2)C1 ZINC001001431736 746369774 /nfs/dbraw/zinc/36/97/74/746369774.db2.gz KWHXBZWEGUJZLH-INIZCTEOSA-N 1 1 328.416 0.311 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](OC)C(C)C)C[C@]2(C)C1 ZINC001101351055 746391167 /nfs/dbraw/zinc/39/11/67/746391167.db2.gz RDRYRUWTMWLEQX-HFTRVMKXSA-N 1 1 335.448 0.187 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCCO2)C1 ZINC001001455587 746394825 /nfs/dbraw/zinc/39/48/25/746394825.db2.gz CVBQDGASKSCYLF-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCCO2)C1 ZINC001001455587 746394832 /nfs/dbraw/zinc/39/48/32/746394832.db2.gz CVBQDGASKSCYLF-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3CC(F)F)[C@@H]2C1 ZINC000978525594 746404710 /nfs/dbraw/zinc/40/47/10/746404710.db2.gz KTXXVYWUZJARED-XQLPTFJDSA-N 1 1 343.418 0.822 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4csnn4)[C@@H]3C2)C1=O ZINC000978530313 746410223 /nfs/dbraw/zinc/41/02/23/746410223.db2.gz CKROPEJGXZHRQC-NRWUCQMLSA-N 1 1 347.444 0.233 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)c[nH]1 ZINC001083417848 746428338 /nfs/dbraw/zinc/42/83/38/746428338.db2.gz GFZRGPYFAQSYSW-XHSDSOJGSA-N 1 1 332.404 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2nc(C)no2)CC1 ZINC001001493365 746431389 /nfs/dbraw/zinc/43/13/89/746431389.db2.gz YTNJXRJRLLOZMH-INIZCTEOSA-N 1 1 345.447 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2nc(C)no2)CC1 ZINC001001493365 746431391 /nfs/dbraw/zinc/43/13/91/746431391.db2.gz YTNJXRJRLLOZMH-INIZCTEOSA-N 1 1 345.447 0.804 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001502676 746439015 /nfs/dbraw/zinc/43/90/15/746439015.db2.gz SFZMLQRORMXSRF-OAHLLOKOSA-N 1 1 329.404 0.559 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059382246 746507757 /nfs/dbraw/zinc/50/77/57/746507757.db2.gz QDLAWEPYOOIVQL-YDHLFZDLSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059382246 746507761 /nfs/dbraw/zinc/50/77/61/746507761.db2.gz QDLAWEPYOOIVQL-YDHLFZDLSA-N 1 1 344.419 0.517 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccoc3CC(N)=O)[C@@H]2C1 ZINC000978657061 746545121 /nfs/dbraw/zinc/54/51/21/746545121.db2.gz QIBDRCXAWIXOHD-XYYAHUGASA-N 1 1 337.807 0.968 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 ZINC000978702133 746602567 /nfs/dbraw/zinc/60/25/67/746602567.db2.gz FCMQSQFAWOAPCM-UUAJXVIYSA-N 1 1 349.475 0.882 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978729882 746641800 /nfs/dbraw/zinc/64/18/00/746641800.db2.gz XGBDOZSQKYBSGC-OSAQELSMSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001027663363 746644850 /nfs/dbraw/zinc/64/48/50/746644850.db2.gz AMTLVFUGHPHULJ-UKRRQHHQSA-N 1 1 329.466 0.567 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)ccc1F ZINC001041986528 782553204 /nfs/dbraw/zinc/55/32/04/782553204.db2.gz RRHBODAPJUXRDT-BBRMVZONSA-N 1 1 344.390 0.996 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000978829410 746758261 /nfs/dbraw/zinc/75/82/61/746758261.db2.gz GBTUVYSXGRRZNF-SGMGOOAPSA-N 1 1 329.404 0.463 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000978839199 746764716 /nfs/dbraw/zinc/76/47/16/746764716.db2.gz JSEVDCZGQJCDMF-YQQAZPJKSA-N 1 1 340.427 0.639 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001001907344 746798642 /nfs/dbraw/zinc/79/86/42/746798642.db2.gz HSKWEDGVBFACHD-DLBZAZTESA-N 1 1 329.444 0.849 20 30 ECEDMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)n1 ZINC000978867855 746818100 /nfs/dbraw/zinc/81/81/00/746818100.db2.gz WGCVLMPZMFZUIH-PHZGNYQRSA-N 1 1 336.399 0.795 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000984705710 746851350 /nfs/dbraw/zinc/85/13/50/746851350.db2.gz KKBBTNNUVXXSAQ-CQSZACIVSA-N 1 1 340.387 0.915 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cccnn4)[C@@H]3C2)C1=O ZINC000978920330 746897099 /nfs/dbraw/zinc/89/70/99/746897099.db2.gz YHNMXGMNGHFUNF-AYDFFVQHSA-N 1 1 341.415 0.171 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)n1 ZINC001059436028 746923426 /nfs/dbraw/zinc/92/34/26/746923426.db2.gz DQDHKDPNFBERTD-KBUPBQIOSA-N 1 1 340.431 0.846 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001007155105 752136011 /nfs/dbraw/zinc/13/60/11/752136011.db2.gz JCPKLASIRKKSRR-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(N)=O)[C@@H]2C1 ZINC000978954276 746949165 /nfs/dbraw/zinc/94/91/65/746949165.db2.gz WWLVANCCUGBQNS-FQUUOJAGSA-N 1 1 340.855 0.966 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]2C1 ZINC001087992745 746952806 /nfs/dbraw/zinc/95/28/06/746952806.db2.gz JSSGMAVZQMUQJU-ZNMIVQPWSA-N 1 1 330.432 0.942 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007156642 752138272 /nfs/dbraw/zinc/13/82/72/752138272.db2.gz OLLIGNMUCMCKSX-ZBFHGGJFSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007156642 752138275 /nfs/dbraw/zinc/13/82/75/752138275.db2.gz OLLIGNMUCMCKSX-ZBFHGGJFSA-N 1 1 341.415 0.867 20 30 ECEDMO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)n1 ZINC001059446369 746982498 /nfs/dbraw/zinc/98/24/98/746982498.db2.gz SMNILOQCEPCLLH-NZBPQXDJSA-N 1 1 342.403 0.271 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)nc1 ZINC000978985456 747021008 /nfs/dbraw/zinc/02/10/08/747021008.db2.gz KMGRUCAMJHLBCX-PHZGNYQRSA-N 1 1 338.411 0.249 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(=O)NC)nc3)[C@@H]2C1 ZINC000978985405 747021300 /nfs/dbraw/zinc/02/13/00/747021300.db2.gz KDNCDJZRBRFPSO-QKDCVEJESA-N 1 1 326.400 0.372 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)COCC4)C[C@@H]2C1 ZINC001088013244 747060246 /nfs/dbraw/zinc/06/02/46/747060246.db2.gz XDVHCFLXWVEBGD-CABCVRRESA-N 1 1 328.416 0.831 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]2C1 ZINC001088018036 747071967 /nfs/dbraw/zinc/07/19/67/747071967.db2.gz DQUYWMFYXYELOO-CABCVRRESA-N 1 1 326.462 0.778 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 ZINC000979046354 747112792 /nfs/dbraw/zinc/11/27/92/747112792.db2.gz MUSZFTVOOPRTPD-ZSOGYDGISA-N 1 1 340.855 0.824 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C[C@@H]2C1 ZINC001088049951 747146063 /nfs/dbraw/zinc/14/60/63/747146063.db2.gz GSTPBAXQXLIUTP-OAGGEKHMSA-N 1 1 327.432 0.562 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3C(C)=O)[C@@H]2C1 ZINC000979096012 747168692 /nfs/dbraw/zinc/16/86/92/747168692.db2.gz WDSVCRYXPZDDJA-WCXIOVBPSA-N 1 1 335.448 0.494 20 30 ECEDMO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)Cn3cnnn3)CC2)c1 ZINC001002304568 747196875 /nfs/dbraw/zinc/19/68/75/747196875.db2.gz ZYHMCZLIBOOEPC-UHFFFAOYSA-N 1 1 343.366 0.465 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@@H]2C1 ZINC001088082847 747286641 /nfs/dbraw/zinc/28/66/41/747286641.db2.gz NLLGCCNYGOOTCV-ZNMIVQPWSA-N 1 1 327.432 0.334 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccoc3CC(N)=O)C[C@@H]2C1 ZINC001088082673 747291112 /nfs/dbraw/zinc/29/11/12/747291112.db2.gz DVRZLJRFYVILJU-KGLIPLIRSA-N 1 1 329.400 0.725 20 30 ECEDMO NC(=O)CC(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C1 ZINC001041987382 782556163 /nfs/dbraw/zinc/55/61/63/782556163.db2.gz ZQXRPPLWAZTBHH-IAGOWNOFSA-N 1 1 325.412 0.836 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001059488918 747383634 /nfs/dbraw/zinc/38/36/34/747383634.db2.gz FFCJCXHEFRWVPZ-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001059488917 747383667 /nfs/dbraw/zinc/38/36/67/747383667.db2.gz FFCJCXHEFRWVPZ-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3nnnc3C(C)C)C[C@@H]2C1 ZINC001088133491 747461180 /nfs/dbraw/zinc/46/11/80/747461180.db2.gz LGNJCRJFQHOFFK-CABCVRRESA-N 1 1 330.436 0.600 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](CCCO)CC[C@@H]3C2)nn1 ZINC001088135522 747467113 /nfs/dbraw/zinc/46/71/13/747467113.db2.gz PKTHXDQUYPWGLP-CABCVRRESA-N 1 1 333.436 0.631 20 30 ECEDMO C[C@H]([NH2+]Cc1nncs1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979264599 747492908 /nfs/dbraw/zinc/49/29/08/747492908.db2.gz FYQOYPWFEBHCOS-GWCFXTLKSA-N 1 1 346.416 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cnon4)C[C@@H]3C2)C1=O ZINC001088145834 747509148 /nfs/dbraw/zinc/50/91/48/747509148.db2.gz YGXXZPYMZFFDDZ-VNHYZAJKSA-N 1 1 345.403 0.250 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(C#N)cn2)C1 ZINC001059498694 747537428 /nfs/dbraw/zinc/53/74/28/747537428.db2.gz RNFWLEHMDBBWKG-WPXLMEDKSA-N 1 1 340.431 0.916 20 30 ECEDMO Cc1nnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)s1 ZINC000979286120 747537591 /nfs/dbraw/zinc/53/75/91/747537591.db2.gz BGGXCWQMRKNNPG-RISCZKNCSA-N 1 1 334.445 0.965 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001211894462 747541754 /nfs/dbraw/zinc/54/17/54/747541754.db2.gz NKEDCIKLYKWUTA-IAGOWNOFSA-N 1 1 344.415 0.352 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001211894462 747541760 /nfs/dbraw/zinc/54/17/60/747541760.db2.gz NKEDCIKLYKWUTA-IAGOWNOFSA-N 1 1 344.415 0.352 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001007212384 752194796 /nfs/dbraw/zinc/19/47/96/752194796.db2.gz ATDZOKJQXHJECR-HOTGVXAUSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001007212384 752194801 /nfs/dbraw/zinc/19/48/01/752194801.db2.gz ATDZOKJQXHJECR-HOTGVXAUSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(OC)no3)CC2)C1=O ZINC001002643332 747607655 /nfs/dbraw/zinc/60/76/55/747607655.db2.gz UGWRYPKQMZYLQT-CYBMUJFWSA-N 1 1 348.403 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)NC)CC[C@@H]3C2)cn1 ZINC001088175431 747678102 /nfs/dbraw/zinc/67/81/02/747678102.db2.gz VZYAKQVCAVATCS-IMJJTQAJSA-N 1 1 340.427 0.591 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]Cc3nnnn3C)C2)CC1 ZINC000979367463 747714092 /nfs/dbraw/zinc/71/40/92/747714092.db2.gz GATHTTFEZFAMQD-UKRRQHHQSA-N 1 1 348.451 0.662 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985341326 747745112 /nfs/dbraw/zinc/74/51/12/747745112.db2.gz ACDLZVQNFZHBDV-UHFFFAOYSA-N 1 1 332.379 0.996 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)c1cncc(C#N)n1 ZINC001112181546 747789049 /nfs/dbraw/zinc/78/90/49/747789049.db2.gz RCGALEZYPMIADM-ZFWWWQNUSA-N 1 1 330.436 0.831 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001088234787 747805115 /nfs/dbraw/zinc/80/51/15/747805115.db2.gz BOSHBZQMCCUJBD-HNNXBMFYSA-N 1 1 331.420 0.771 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001088234787 747805121 /nfs/dbraw/zinc/80/51/21/747805121.db2.gz BOSHBZQMCCUJBD-HNNXBMFYSA-N 1 1 331.420 0.771 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001088236996 747832845 /nfs/dbraw/zinc/83/28/45/747832845.db2.gz JFMDWKYSGWJUBK-GJZGRUSLSA-N 1 1 336.436 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2[nH]ccc2C)C1 ZINC001002828732 747844171 /nfs/dbraw/zinc/84/41/71/747844171.db2.gz GCKXUELLTAGQOD-HNNXBMFYSA-N 1 1 328.416 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2[nH]ccc2C)C1 ZINC001002828732 747844181 /nfs/dbraw/zinc/84/41/81/747844181.db2.gz GCKXUELLTAGQOD-HNNXBMFYSA-N 1 1 328.416 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cncc(F)c2)C1 ZINC001002829695 747844641 /nfs/dbraw/zinc/84/46/41/747844641.db2.gz NTPMVUJOMBBYMC-INIZCTEOSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cncc(F)c2)C1 ZINC001002829695 747844650 /nfs/dbraw/zinc/84/46/50/747844650.db2.gz NTPMVUJOMBBYMC-INIZCTEOSA-N 1 1 344.390 0.507 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001088237647 747847120 /nfs/dbraw/zinc/84/71/20/747847120.db2.gz ZLCBEXDFDXBABL-CVEARBPZSA-N 1 1 348.447 0.021 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CCCCO2)C1 ZINC001002830915 747849466 /nfs/dbraw/zinc/84/94/66/747849466.db2.gz YMNAXJZHJDCRBE-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CCCCO2)C1 ZINC001002830915 747849475 /nfs/dbraw/zinc/84/94/75/747849475.db2.gz YMNAXJZHJDCRBE-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC000988498692 752217828 /nfs/dbraw/zinc/21/78/28/752217828.db2.gz FFETYLDGTKXMAB-WCQYABFASA-N 1 1 327.392 0.891 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001002836308 747858113 /nfs/dbraw/zinc/85/81/13/747858113.db2.gz UXBVGMKRDUNKIW-KRWDZBQOSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2[nH]c(C)cc2C)C1 ZINC001002836230 747858228 /nfs/dbraw/zinc/85/82/28/747858228.db2.gz SGZDAODDORXGBI-INIZCTEOSA-N 1 1 342.443 0.917 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2[nH]c(C)cc2C)C1 ZINC001002836230 747858236 /nfs/dbraw/zinc/85/82/36/747858236.db2.gz SGZDAODDORXGBI-INIZCTEOSA-N 1 1 342.443 0.917 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001002836185 747858881 /nfs/dbraw/zinc/85/88/81/747858881.db2.gz RLEMNXPFVPVZTD-WBVHZDCISA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001088239110 747872384 /nfs/dbraw/zinc/87/23/84/747872384.db2.gz MYJIZQOQAHCETR-OAHLLOKOSA-N 1 1 331.420 0.771 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000988501967 752220241 /nfs/dbraw/zinc/22/02/41/752220241.db2.gz OLZBDRIOSVLSAL-WCQYABFASA-N 1 1 345.382 0.840 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985392142 747885962 /nfs/dbraw/zinc/88/59/62/747885962.db2.gz QHCLUERKWDHJFI-UHFFFAOYSA-N 1 1 344.419 0.448 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001088239751 747936672 /nfs/dbraw/zinc/93/66/72/747936672.db2.gz FSOSSOJZFUDPNU-INIZCTEOSA-N 1 1 345.447 0.700 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059547569 747967291 /nfs/dbraw/zinc/96/72/91/747967291.db2.gz OUEMVCKNIJRJKT-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059547569 747967298 /nfs/dbraw/zinc/96/72/98/747967298.db2.gz OUEMVCKNIJRJKT-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001059549361 747977714 /nfs/dbraw/zinc/97/77/14/747977714.db2.gz MPQKXPUSTSCOTK-QGZVFWFLSA-N 1 1 349.475 0.867 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985436934 748017845 /nfs/dbraw/zinc/01/78/45/748017845.db2.gz WAMPCCPOHOHJTJ-UHFFFAOYSA-N 1 1 345.432 0.729 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985436937 748017900 /nfs/dbraw/zinc/01/79/00/748017900.db2.gz WDRVFCKVDNRXGE-UHFFFAOYSA-N 1 1 339.403 0.668 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000979578023 748070374 /nfs/dbraw/zinc/07/03/74/748070374.db2.gz LHLMNPNJXMTJJN-QAETUUGQSA-N 1 1 346.475 0.189 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC000979614149 748122700 /nfs/dbraw/zinc/12/27/00/748122700.db2.gz IMZQROMMXQFZIK-RRFJBIMHSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cncnc3)C2)C1=O ZINC001029714273 748128760 /nfs/dbraw/zinc/12/87/60/748128760.db2.gz ZZHHSNRYXAPBNJ-GDBMZVCRSA-N 1 1 343.431 0.657 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H](O)Cn2cccn2)[nH]1 ZINC001027821881 748131335 /nfs/dbraw/zinc/13/13/35/748131335.db2.gz TYYYBVJLXZOBBW-CABCVRRESA-N 1 1 342.403 0.338 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)CC3(O)CCC3)C2)C1=O ZINC001029732549 748184618 /nfs/dbraw/zinc/18/46/18/748184618.db2.gz XDVSAODEEBVKPD-JKSUJKDBSA-N 1 1 349.475 0.859 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccn(C)n2)CC1 ZINC000985474989 748209300 /nfs/dbraw/zinc/20/93/00/748209300.db2.gz IZJSEOITZBKBMQ-SFHVURJKSA-N 1 1 343.475 0.941 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCNC2=O)[nH]1 ZINC001027830389 748261797 /nfs/dbraw/zinc/26/17/97/748261797.db2.gz ARUAZCQQSWSRRZ-ZDUSSCGKSA-N 1 1 330.392 0.106 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105344040 748268255 /nfs/dbraw/zinc/26/82/55/748268255.db2.gz JFBAPXXWWGQONT-UHFFFAOYSA-N 1 1 342.407 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2ncccn2)C1 ZINC001029758051 748270538 /nfs/dbraw/zinc/27/05/38/748270538.db2.gz PRULYFFJRZUBHY-SJORKVTESA-N 1 1 341.459 0.855 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2cn(C)nn2)C1 ZINC001029758157 748270566 /nfs/dbraw/zinc/27/05/66/748270566.db2.gz SMUPSCWUJDZJPU-WBVHZDCISA-N 1 1 344.463 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2cn(C)nn2)C1 ZINC001029758157 748270568 /nfs/dbraw/zinc/27/05/68/748270568.db2.gz SMUPSCWUJDZJPU-WBVHZDCISA-N 1 1 344.463 0.193 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2csnn2)C1 ZINC001029758458 748271626 /nfs/dbraw/zinc/27/16/26/748271626.db2.gz YUYNDVGEXKHPGS-ZBFHGGJFSA-N 1 1 347.488 0.916 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2csnn2)C1 ZINC001029758458 748271632 /nfs/dbraw/zinc/27/16/32/748271632.db2.gz YUYNDVGEXKHPGS-ZBFHGGJFSA-N 1 1 347.488 0.916 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000985517712 748389321 /nfs/dbraw/zinc/38/93/21/748389321.db2.gz JJUFHVNVHSCJSJ-UHFFFAOYSA-N 1 1 325.390 0.097 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C1 ZINC000979795383 748411607 /nfs/dbraw/zinc/41/16/07/748411607.db2.gz LVKVGYPYSFKEAL-RBSFLKMASA-N 1 1 330.432 0.990 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC000979797188 748413321 /nfs/dbraw/zinc/41/33/21/748413321.db2.gz PBLRXDWJXSZQQU-HRCADAONSA-N 1 1 333.432 0.085 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccc(C#N)s3)C2)n1 ZINC001029806938 748505653 /nfs/dbraw/zinc/50/56/53/748505653.db2.gz URJFJQAQLWQIQO-LLVKDONJSA-N 1 1 345.432 0.737 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC001003402502 748511781 /nfs/dbraw/zinc/51/17/81/748511781.db2.gz UFMDRBDSIKEMTA-UHFFFAOYSA-N 1 1 349.822 0.829 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001003469625 748587529 /nfs/dbraw/zinc/58/75/29/748587529.db2.gz JLGCQNGWDWUQTJ-INIZCTEOSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnnc(C)c2)C1=O ZINC001027848975 748619909 /nfs/dbraw/zinc/61/99/09/748619909.db2.gz PFXSSYOIJHJRCL-HOTGVXAUSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnnc(C)c2)C1=O ZINC001027848975 748619911 /nfs/dbraw/zinc/61/99/11/748619911.db2.gz PFXSSYOIJHJRCL-HOTGVXAUSA-N 1 1 343.431 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000979966735 748758213 /nfs/dbraw/zinc/75/82/13/748758213.db2.gz DTKLRNBYCCQRCB-DZKIICNBSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000979966735 748758218 /nfs/dbraw/zinc/75/82/18/748758218.db2.gz DTKLRNBYCCQRCB-DZKIICNBSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000979969160 748762919 /nfs/dbraw/zinc/76/29/19/748762919.db2.gz XLSIEQQBJDQLRP-DZKIICNBSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000979969160 748762922 /nfs/dbraw/zinc/76/29/22/748762922.db2.gz XLSIEQQBJDQLRP-DZKIICNBSA-N 1 1 343.431 0.440 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3cncn3C)CC2)nn1 ZINC000985695320 748884405 /nfs/dbraw/zinc/88/44/05/748884405.db2.gz LVKGHJYLBYDETH-UHFFFAOYSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3ccn(C)n3)CC2)nn1 ZINC000985696556 748887433 /nfs/dbraw/zinc/88/74/33/748887433.db2.gz UWLVEDFMHSSRSG-UHFFFAOYSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cnon3)CC2)C1=O ZINC000985707391 748907723 /nfs/dbraw/zinc/90/77/23/748907723.db2.gz GLCQGGJCAHRCSM-AWEZNQCLSA-N 1 1 333.392 0.393 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 ZINC000980090275 748960877 /nfs/dbraw/zinc/96/08/77/748960877.db2.gz ZLUWEPCJXQVJFI-ZNMIVQPWSA-N 1 1 333.436 0.375 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027878485 748982092 /nfs/dbraw/zinc/98/20/92/748982092.db2.gz CMDFJGKHZSVVIZ-KBPBESRZSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027878514 748982477 /nfs/dbraw/zinc/98/24/77/748982477.db2.gz DDEBKBNPGLDMKJ-UONOGXRCSA-N 1 1 329.404 0.367 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000980113781 748997903 /nfs/dbraw/zinc/99/79/03/748997903.db2.gz QGWAKPRMXDONTM-NFOMZHRRSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000985773899 749063250 /nfs/dbraw/zinc/06/32/50/749063250.db2.gz QTOAEGNZNLJUDN-MRXNPFEDSA-N 1 1 343.493 0.957 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@@H]2C1 ZINC000980164717 749097339 /nfs/dbraw/zinc/09/73/39/749097339.db2.gz UUWHGLHZRFFCPM-ARFHVFGLSA-N 1 1 334.464 0.211 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC000980166574 749101399 /nfs/dbraw/zinc/10/13/99/749101399.db2.gz XSZMNVUWIVWFRT-HRCADAONSA-N 1 1 334.464 0.211 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001098733384 749105473 /nfs/dbraw/zinc/10/54/73/749105473.db2.gz JGHIMXSNZHZCQM-WBVHZDCISA-N 1 1 344.463 0.506 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001098733384 749105477 /nfs/dbraw/zinc/10/54/77/749105477.db2.gz JGHIMXSNZHZCQM-WBVHZDCISA-N 1 1 344.463 0.506 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CCC3)CC2)cn1 ZINC001003997090 749123786 /nfs/dbraw/zinc/12/37/86/749123786.db2.gz CICMXZIMZVUBTF-UHFFFAOYSA-N 1 1 326.400 0.489 20 30 ECEDMO C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027888746 749126646 /nfs/dbraw/zinc/12/66/46/749126646.db2.gz YWQLANONYVWGQZ-KSZLIROESA-N 1 1 333.476 0.947 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC000980192951 749126863 /nfs/dbraw/zinc/12/68/63/749126863.db2.gz KFFOYIZTZMVCBQ-MELADBBJSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCOCC3)C[C@@H]2C1 ZINC000980185051 749134461 /nfs/dbraw/zinc/13/44/61/749134461.db2.gz SNKYSPPLTXEXHM-BBWFWOEESA-N 1 1 333.476 0.947 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059654829 749151386 /nfs/dbraw/zinc/15/13/86/749151386.db2.gz YCKDMHSQEPVXFF-SCRDCRAPSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059654829 749151390 /nfs/dbraw/zinc/15/13/90/749151390.db2.gz YCKDMHSQEPVXFF-SCRDCRAPSA-N 1 1 330.392 0.128 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)/C(C)=C/C)CC2)CC1 ZINC000985827850 749188386 /nfs/dbraw/zinc/18/83/86/749188386.db2.gz CMZWSXNWWXCPBC-FZSIALSZSA-N 1 1 332.448 0.858 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)C[C@H]2C1 ZINC000980201954 749193192 /nfs/dbraw/zinc/19/31/92/749193192.db2.gz BWUYLSJZJRHBQT-AEGPPILISA-N 1 1 328.416 0.967 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H](F)CC)CC2)CC1 ZINC000985830928 749199509 /nfs/dbraw/zinc/19/95/09/749199509.db2.gz XOBAGAAHVSPBMY-HNNXBMFYSA-N 1 1 338.427 0.640 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000980219787 749216354 /nfs/dbraw/zinc/21/63/54/749216354.db2.gz ONGDTTVZBFUBMA-ZNMIVQPWSA-N 1 1 346.431 0.168 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC000980230130 749225827 /nfs/dbraw/zinc/22/58/27/749225827.db2.gz KKCYJKLOYWIYMJ-XHSDSOJGSA-N 1 1 345.447 0.130 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000980246488 749234615 /nfs/dbraw/zinc/23/46/15/749234615.db2.gz QLQYOKADMUEDHK-ZNMIVQPWSA-N 1 1 348.447 0.721 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC000980239921 749243089 /nfs/dbraw/zinc/24/30/89/749243089.db2.gz BQOOYIVXCNIFNI-SOUVJXGZSA-N 1 1 348.447 0.673 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)nn1 ZINC001098738730 749261305 /nfs/dbraw/zinc/26/13/05/749261305.db2.gz AOIWEHRYDSGIQC-AWEZNQCLSA-N 1 1 349.826 0.877 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(N)=O)ccn3)C[C@H]2C1 ZINC000980266229 749275344 /nfs/dbraw/zinc/27/53/44/749275344.db2.gz JHFJLUPCBGZNDG-SOUVJXGZSA-N 1 1 326.400 0.644 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC000980293813 749317392 /nfs/dbraw/zinc/31/73/92/749317392.db2.gz LSDRCBTZYXIENC-UONOGXRCSA-N 1 1 329.828 0.519 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC000980293813 749317394 /nfs/dbraw/zinc/31/73/94/749317394.db2.gz LSDRCBTZYXIENC-UONOGXRCSA-N 1 1 329.828 0.519 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)nc1 ZINC001029889747 749442821 /nfs/dbraw/zinc/44/28/21/749442821.db2.gz OCRSFFXQTUJIIR-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@H]2CCC[N@H+]2CCS(C)(=O)=O)CC1 ZINC001004400457 749466814 /nfs/dbraw/zinc/46/68/14/749466814.db2.gz ZUAJPMFOGUEQRB-DZGCQCFKSA-N 1 1 341.477 0.894 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC000980405095 749504139 /nfs/dbraw/zinc/50/41/39/749504139.db2.gz FGVBWWCVVWCOIO-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001004455531 749521267 /nfs/dbraw/zinc/52/12/67/749521267.db2.gz KMEJRQVAMHDETC-ABAIWWIYSA-N 1 1 329.404 0.272 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001004498989 749571507 /nfs/dbraw/zinc/57/15/07/749571507.db2.gz JRUNUJANGOMPQO-KRWDZBQOSA-N 1 1 346.475 0.145 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]2C1 ZINC000986132586 749600568 /nfs/dbraw/zinc/60/05/68/749600568.db2.gz APUXOOKBQKRRDX-YUELXQCFSA-N 1 1 329.404 0.658 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1C ZINC000986181939 749640820 /nfs/dbraw/zinc/64/08/20/749640820.db2.gz HHRWEGWYIOJDAN-WCQYABFASA-N 1 1 341.419 0.970 20 30 ECEDMO C[C@@H]1[C@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000986189322 749647595 /nfs/dbraw/zinc/64/75/95/749647595.db2.gz WMMRVZFDWCLNTP-DGCLKSJQSA-N 1 1 345.382 0.840 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nc(C)no1 ZINC001027943060 749672236 /nfs/dbraw/zinc/67/22/36/749672236.db2.gz JNLRBSSVCNRBQH-CABCVRRESA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nc(C)no1 ZINC001027943060 749672241 /nfs/dbraw/zinc/67/22/41/749672241.db2.gz JNLRBSSVCNRBQH-CABCVRRESA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001004602230 749673668 /nfs/dbraw/zinc/67/36/68/749673668.db2.gz MNJUMLFKQHUCMC-OAHLLOKOSA-N 1 1 346.431 0.265 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2nocc2C)C1 ZINC000980525724 749695428 /nfs/dbraw/zinc/69/54/28/749695428.db2.gz IGHBPHSALYPRRY-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2nocc2C)C1 ZINC000980525724 749695431 /nfs/dbraw/zinc/69/54/31/749695431.db2.gz IGHBPHSALYPRRY-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004632416 749710787 /nfs/dbraw/zinc/71/07/87/749710787.db2.gz FKGBRDGGKOXBEB-HOTGVXAUSA-N 1 1 345.443 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)c3cc[nH]n3)CC2)C1=O ZINC001029938098 749768016 /nfs/dbraw/zinc/76/80/16/749768016.db2.gz IETYNTVQFPGEKJ-MRXNPFEDSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CC2CCN(C(=O)c3ccn[nH]3)CC2)C1=O ZINC001029938098 749768022 /nfs/dbraw/zinc/76/80/22/749768022.db2.gz IETYNTVQFPGEKJ-MRXNPFEDSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)c3ccn[nH]3)CC2)C1=O ZINC001029938098 749768025 /nfs/dbraw/zinc/76/80/25/749768025.db2.gz IETYNTVQFPGEKJ-MRXNPFEDSA-N 1 1 345.447 0.981 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)no1 ZINC000980575399 749802405 /nfs/dbraw/zinc/80/24/05/749802405.db2.gz OFVYHYWLOIJUIV-ZFWWWQNUSA-N 1 1 346.431 0.999 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H](C[NH2+]Cc2nnn(C)n2)C[C@H]1C ZINC000980605451 749840883 /nfs/dbraw/zinc/84/08/83/749840883.db2.gz SSSZBRKCGFDQJT-KGLIPLIRSA-N 1 1 343.435 0.838 20 30 ECEDMO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001004810355 749896633 /nfs/dbraw/zinc/89/66/33/749896633.db2.gz POTHPSTUGLHZFK-FZMZJTMJSA-N 1 1 342.407 0.583 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1C(F)(F)F ZINC001112207767 750125123 /nfs/dbraw/zinc/12/51/23/750125123.db2.gz FEPUIUVVMKBTQO-GHMZBOCLSA-N 1 1 340.367 0.422 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058848587 750160297 /nfs/dbraw/zinc/16/02/97/750160297.db2.gz HNEMPSWOXNWMTP-KBPBESRZSA-N 1 1 325.453 0.333 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058848630 750161023 /nfs/dbraw/zinc/16/10/23/750161023.db2.gz ICSOMGPIACTIER-HUUCEWRRSA-N 1 1 325.453 0.478 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058849387 750170677 /nfs/dbraw/zinc/17/06/77/750170677.db2.gz SSRRHOQTYISGFG-LSDHHAIUSA-N 1 1 337.464 0.171 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](CNCc3cnon3)C[C@@H]2C)CC1 ZINC000980816753 750212483 /nfs/dbraw/zinc/21/24/83/750212483.db2.gz VTUGOCQMHWZOBN-GJZGRUSLSA-N 1 1 345.447 0.741 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001028012254 750369852 /nfs/dbraw/zinc/36/98/52/750369852.db2.gz IUPRTTKTAJPSDA-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)cc1 ZINC001028066698 750464381 /nfs/dbraw/zinc/46/43/81/750464381.db2.gz GSTHVHAZNUGJSU-HZPDHXFCSA-N 1 1 339.395 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)cc1 ZINC001028066698 750464383 /nfs/dbraw/zinc/46/43/83/750464383.db2.gz GSTHVHAZNUGJSU-HZPDHXFCSA-N 1 1 339.395 0.667 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3coc(COC)n3)C2)nn1 ZINC001105352591 750470095 /nfs/dbraw/zinc/47/00/95/750470095.db2.gz YKHFEIXJZVWQPJ-UHFFFAOYSA-N 1 1 346.391 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)c1 ZINC001028073055 750488152 /nfs/dbraw/zinc/48/81/52/750488152.db2.gz QTASYRTWKYLNGR-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)[C@H]1CCNC1=O ZINC001028073859 750500661 /nfs/dbraw/zinc/50/06/61/750500661.db2.gz ZAPKPMPSFVBUJA-SJORKVTESA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)[C@H]1CCNC1=O ZINC001028073859 750500662 /nfs/dbraw/zinc/50/06/62/750500662.db2.gz ZAPKPMPSFVBUJA-SJORKVTESA-N 1 1 343.402 0.894 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)NC1=O ZINC001028075732 750519335 /nfs/dbraw/zinc/51/93/35/750519335.db2.gz BRRNWOWDBOMZDJ-JKSUJKDBSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)NC1=O ZINC001028076871 750537458 /nfs/dbraw/zinc/53/74/58/750537458.db2.gz ZEBPRIFLSDTAFW-JKSUJKDBSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)NC1=O ZINC001028076275 750542925 /nfs/dbraw/zinc/54/29/25/750542925.db2.gz KRRGLYZEFOCPKX-JKSUJKDBSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)NC1=O ZINC001028076275 750542931 /nfs/dbraw/zinc/54/29/31/750542931.db2.gz KRRGLYZEFOCPKX-JKSUJKDBSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nonc3C)[C@H]2C)nn1 ZINC000987171767 750545543 /nfs/dbraw/zinc/54/55/43/750545543.db2.gz XLPVJEWYAAFOLZ-CHWSQXEVSA-N 1 1 345.407 0.938 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cnns2)C1 ZINC001005745045 750584268 /nfs/dbraw/zinc/58/42/68/750584268.db2.gz KPCAWAVNCKIANR-AAEUAGOBSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cnns2)C1 ZINC001005745045 750584273 /nfs/dbraw/zinc/58/42/73/750584273.db2.gz KPCAWAVNCKIANR-AAEUAGOBSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccnn2C)C1 ZINC001005782875 750632638 /nfs/dbraw/zinc/63/26/38/750632638.db2.gz IAYHFJCCLRABEP-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccnn2C)C1 ZINC001005782875 750632642 /nfs/dbraw/zinc/63/26/42/750632642.db2.gz IAYHFJCCLRABEP-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001059789087 750664372 /nfs/dbraw/zinc/66/43/72/750664372.db2.gz TXLOCVNRCZJBPB-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3nnn(C)n3)C2)cn1 ZINC000981467121 750711028 /nfs/dbraw/zinc/71/10/28/750711028.db2.gz GNUKNYISBONPQZ-CABCVRRESA-N 1 1 339.403 0.417 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC([C@H](C)NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001005849213 750725112 /nfs/dbraw/zinc/72/51/12/750725112.db2.gz CZVWNWCTNFKEIQ-DZGCQCFKSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC([C@H](C)NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001005849213 750725117 /nfs/dbraw/zinc/72/51/17/750725117.db2.gz CZVWNWCTNFKEIQ-DZGCQCFKSA-N 1 1 335.448 0.636 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001059795085 750761647 /nfs/dbraw/zinc/76/16/47/750761647.db2.gz XKESAVNJLBWPDI-UXLLHSPISA-N 1 1 343.431 0.543 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001059795085 750761651 /nfs/dbraw/zinc/76/16/51/750761651.db2.gz XKESAVNJLBWPDI-UXLLHSPISA-N 1 1 343.431 0.543 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)c4cocn4)C3)C2)C1=O ZINC000981664363 750931708 /nfs/dbraw/zinc/93/17/08/750931708.db2.gz WMIRGABAOXDSSY-HNNXBMFYSA-N 1 1 344.415 1.000 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](CC(=O)NC1CCOCC1)C2 ZINC000981670447 750950556 /nfs/dbraw/zinc/95/05/56/750950556.db2.gz XFKIBTFFIHHSCR-AWEZNQCLSA-N 1 1 348.447 0.366 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)NC1CCOCC1)C2 ZINC000981670447 750950558 /nfs/dbraw/zinc/95/05/58/750950558.db2.gz XFKIBTFFIHHSCR-AWEZNQCLSA-N 1 1 348.447 0.366 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NC2CC2)C3)c1 ZINC000981694324 750979854 /nfs/dbraw/zinc/97/98/54/750979854.db2.gz GBHLUOCIRYWLAB-UHFFFAOYSA-N 1 1 341.415 0.703 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NC2CC2)C3)c1 ZINC000981694324 750979858 /nfs/dbraw/zinc/97/98/58/750979858.db2.gz GBHLUOCIRYWLAB-UHFFFAOYSA-N 1 1 341.415 0.703 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1=O ZINC000981694117 750980243 /nfs/dbraw/zinc/98/02/43/750980243.db2.gz BJCUULHAUUREBE-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000981719093 751009369 /nfs/dbraw/zinc/00/93/69/751009369.db2.gz VLYFYKVXBFZSOR-UHFFFAOYSA-N 1 1 339.403 0.753 20 30 ECEDMO Cn1nncc1C[N@H+]1CCCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000981719093 751009374 /nfs/dbraw/zinc/00/93/74/751009374.db2.gz VLYFYKVXBFZSOR-UHFFFAOYSA-N 1 1 339.403 0.753 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CCC[N@H+]([C@H]2CCCNC2=O)C3)c[nH]1 ZINC000981722110 751014468 /nfs/dbraw/zinc/01/44/68/751014468.db2.gz LYPWBKZOQKPOEY-HNNXBMFYSA-N 1 1 341.415 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccn(C)n2)C1 ZINC001006118077 751036851 /nfs/dbraw/zinc/03/68/51/751036851.db2.gz MVVMBMDDNBYHQA-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccn(C)n2)C1 ZINC001006118077 751036855 /nfs/dbraw/zinc/03/68/55/751036855.db2.gz MVVMBMDDNBYHQA-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000987652824 751056502 /nfs/dbraw/zinc/05/65/02/751056502.db2.gz RLCMQQAPUMUDJZ-UGFHNGPFSA-N 1 1 329.404 0.700 20 30 ECEDMO C=CCC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)Cc3ncn[nH]3)C2)nn1 ZINC001105358370 751197549 /nfs/dbraw/zinc/19/75/49/751197549.db2.gz YHDTYQTYAVCJSX-GFCCVEGCSA-N 1 1 344.423 0.467 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000981878004 751238356 /nfs/dbraw/zinc/23/83/56/751238356.db2.gz MCKQDZQQMPPHGC-HNNXBMFYSA-N 1 1 332.448 0.725 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2ccco2)C1 ZINC001006318374 751240238 /nfs/dbraw/zinc/24/02/38/751240238.db2.gz HZVUEHHYANNBSE-YOEHRIQHSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2ccco2)C1 ZINC001006318374 751240242 /nfs/dbraw/zinc/24/02/42/751240242.db2.gz HZVUEHHYANNBSE-YOEHRIQHSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001087434999 751240605 /nfs/dbraw/zinc/24/06/05/751240605.db2.gz QPKVMVDFCQVNRX-HZPDHXFCSA-N 1 1 338.415 0.821 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC000981891621 751241282 /nfs/dbraw/zinc/24/12/82/751241282.db2.gz MVTGSMKBLDPREM-UHFFFAOYSA-N 1 1 329.400 0.945 20 30 ECEDMO CC#CC[N@@H+]1CCCC2(CN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC000981891621 751241285 /nfs/dbraw/zinc/24/12/85/751241285.db2.gz MVTGSMKBLDPREM-UHFFFAOYSA-N 1 1 329.400 0.945 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)c3ccn[nH]3)CCO2)s1 ZINC001051455319 762108624 /nfs/dbraw/zinc/10/86/24/762108624.db2.gz MIPMVNSAELBZHF-NSHDSACASA-N 1 1 331.401 0.974 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000987886073 751315876 /nfs/dbraw/zinc/31/58/76/751315876.db2.gz CNZYPXQFBHHQSY-ZFWWWQNUSA-N 1 1 343.431 0.759 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007338980 752305362 /nfs/dbraw/zinc/30/53/62/752305362.db2.gz WGQWJWWYJYZOGP-ZIAGYGMSSA-N 1 1 329.404 0.367 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007338980 752305366 /nfs/dbraw/zinc/30/53/66/752305366.db2.gz WGQWJWWYJYZOGP-ZIAGYGMSSA-N 1 1 329.404 0.367 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001020906426 752318337 /nfs/dbraw/zinc/31/83/37/752318337.db2.gz HGUQYAFCCGCBFC-JOCQHMNTSA-N 1 1 342.403 0.826 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C(C)(C)c3cnc[nH]3)C2)C1=O ZINC001020931918 752357002 /nfs/dbraw/zinc/35/70/02/752357002.db2.gz IBNZLCAZFIOCRB-MGPQQGTHSA-N 1 1 345.447 0.711 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1cc(C)ncc1C#N ZINC001126355290 752382525 /nfs/dbraw/zinc/38/25/25/752382525.db2.gz JAXBXOXCHKXSAH-OAHLLOKOSA-N 1 1 345.447 0.782 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001059909825 752393371 /nfs/dbraw/zinc/39/33/71/752393371.db2.gz DGXBAEKXNVXVLY-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039563 752433399 /nfs/dbraw/zinc/43/33/99/752433399.db2.gz OEBPAAUFJJOVFE-DJSGYFEHSA-N 1 1 342.403 0.443 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039563 752433404 /nfs/dbraw/zinc/43/34/04/752433404.db2.gz OEBPAAUFJJOVFE-DJSGYFEHSA-N 1 1 342.403 0.443 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001007487432 752440279 /nfs/dbraw/zinc/44/02/79/752440279.db2.gz IFLXSZPPTBOSGC-HOCLYGCPSA-N 1 1 346.431 0.893 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001007487432 752440283 /nfs/dbraw/zinc/44/02/83/752440283.db2.gz IFLXSZPPTBOSGC-HOCLYGCPSA-N 1 1 346.431 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cn(CC)nn2)C1 ZINC001007519057 752474799 /nfs/dbraw/zinc/47/47/99/752474799.db2.gz IBVAQKLBFVLPSI-RDJZCZTQSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cn(CC)nn2)C1 ZINC001007519057 752474801 /nfs/dbraw/zinc/47/48/01/752474801.db2.gz IBVAQKLBFVLPSI-RDJZCZTQSA-N 1 1 344.463 0.476 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccncc3)C2)C1=O ZINC001028374880 752502922 /nfs/dbraw/zinc/50/29/22/752502922.db2.gz NUOBXSFLMRADMJ-GDBMZVCRSA-N 1 1 328.416 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000937755608 752504141 /nfs/dbraw/zinc/50/41/41/752504141.db2.gz HZNABXACDPVSNN-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001007549575 752514385 /nfs/dbraw/zinc/51/43/85/752514385.db2.gz AORSMIQXVTWXOM-QWHCGFSZSA-N 1 1 347.419 0.405 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001007549575 752514391 /nfs/dbraw/zinc/51/43/91/752514391.db2.gz AORSMIQXVTWXOM-QWHCGFSZSA-N 1 1 347.419 0.405 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3snnc3C)C2)C1=O ZINC001028399991 752556995 /nfs/dbraw/zinc/55/69/95/752556995.db2.gz HOJQVGYXZIQWMT-STQMWFEESA-N 1 1 349.460 0.685 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@H]1C ZINC001088614547 752588920 /nfs/dbraw/zinc/58/89/20/752588920.db2.gz SHYQBFFCOGWFKO-YPMHNXCESA-N 1 1 327.388 0.890 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cncnc3C)C2)C1=O ZINC001028423872 752610901 /nfs/dbraw/zinc/61/09/01/752610901.db2.gz SEOYBJHYFXQUBO-HOCLYGCPSA-N 1 1 343.431 0.624 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccn2C)[C@@H]1C ZINC000988737509 752635038 /nfs/dbraw/zinc/63/50/38/752635038.db2.gz DUMMPSXZXZPDQU-PMPSAXMXSA-N 1 1 342.443 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccn2C)[C@@H]1C ZINC000988737509 752635045 /nfs/dbraw/zinc/63/50/45/752635045.db2.gz DUMMPSXZXZPDQU-PMPSAXMXSA-N 1 1 342.443 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000938025596 752668754 /nfs/dbraw/zinc/66/87/54/752668754.db2.gz KFXXIEFIQXWCKN-NXOAAHMSSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000938025596 752668755 /nfs/dbraw/zinc/66/87/55/752668755.db2.gz KFXXIEFIQXWCKN-NXOAAHMSSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000938041490 752741982 /nfs/dbraw/zinc/74/19/82/752741982.db2.gz ZJAQALOJAABXJF-TWMKSMIVSA-N 1 1 346.475 0.141 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001007679818 752774090 /nfs/dbraw/zinc/77/40/90/752774090.db2.gz OSOKULLEBJYDDL-GFCCVEGCSA-N 1 1 327.406 0.697 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001028489890 752829156 /nfs/dbraw/zinc/82/91/56/752829156.db2.gz DDPWOXQLFMOXBC-QAPCUYQASA-N 1 1 342.443 0.827 20 30 ECEDMO CCn1nncc1C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028490389 752830463 /nfs/dbraw/zinc/83/04/63/752830463.db2.gz LFMYBVWKJAXGJO-GFCCVEGCSA-N 1 1 327.392 0.750 20 30 ECEDMO CCn1nncc1C[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028490389 752830471 /nfs/dbraw/zinc/83/04/71/752830471.db2.gz LFMYBVWKJAXGJO-GFCCVEGCSA-N 1 1 327.392 0.750 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)[nH]1 ZINC001028487003 752832743 /nfs/dbraw/zinc/83/27/43/752832743.db2.gz OLNFEBPZAPOBMA-HIFRSBDPSA-N 1 1 342.403 0.196 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001028490868 752841389 /nfs/dbraw/zinc/84/13/89/752841389.db2.gz PLKYRUUVBHTBQX-GFCCVEGCSA-N 1 1 340.387 0.937 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2csc([C@H]3CCCO3)n2)[C@@H](O)C1 ZINC001083461384 752883628 /nfs/dbraw/zinc/88/36/28/752883628.db2.gz ZNCCVNYVPDIOBJ-KWCYVHTRSA-N 1 1 335.429 0.793 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2csc([C@H]3CCCO3)n2)[C@@H](O)C1 ZINC001083461384 752883633 /nfs/dbraw/zinc/88/36/33/752883633.db2.gz ZNCCVNYVPDIOBJ-KWCYVHTRSA-N 1 1 335.429 0.793 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](CNC(=O)c3ncccc3O)C2)C1=O ZINC001028499850 752916363 /nfs/dbraw/zinc/91/63/63/752916363.db2.gz LQAPTZQXSFRKMG-KGLIPLIRSA-N 1 1 344.415 0.626 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ncccc3O)C2)C1=O ZINC001028499850 752916369 /nfs/dbraw/zinc/91/63/69/752916369.db2.gz LQAPTZQXSFRKMG-KGLIPLIRSA-N 1 1 344.415 0.626 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)Cn1ncnn1 ZINC000988828794 752942324 /nfs/dbraw/zinc/94/23/24/752942324.db2.gz NACHGCCTUGJCEL-NHYWBVRUSA-N 1 1 343.366 0.463 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001126378249 753063584 /nfs/dbraw/zinc/06/35/84/753063584.db2.gz JXGRPIUKJVZZEU-QGZVFWFLSA-N 1 1 329.404 0.800 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCCN(CCOC)c1ccnc(C#N)n1 ZINC001126380037 753099751 /nfs/dbraw/zinc/09/97/51/753099751.db2.gz HJUNCIWPXLDWAE-UHFFFAOYSA-N 1 1 334.424 0.259 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCCN(CCOC)c1ccc(C#N)cn1 ZINC001126380919 753125133 /nfs/dbraw/zinc/12/51/33/753125133.db2.gz UNXIZMKVBJQTEQ-UHFFFAOYSA-N 1 1 333.436 0.864 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC001126382778 753150184 /nfs/dbraw/zinc/15/01/84/753150184.db2.gz BVCBXTLWPKWKRE-GUYCJALGSA-N 1 1 344.419 0.756 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C ZINC001007972473 753155083 /nfs/dbraw/zinc/15/50/83/753155083.db2.gz VXHCYGAMZCGEEZ-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000989066261 753204034 /nfs/dbraw/zinc/20/40/34/753204034.db2.gz YAPGSFWJKGHNBT-IHRRRGAJSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000989066261 753204045 /nfs/dbraw/zinc/20/40/45/753204045.db2.gz YAPGSFWJKGHNBT-IHRRRGAJSA-N 1 1 339.386 0.846 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001008122639 753339386 /nfs/dbraw/zinc/33/93/86/753339386.db2.gz SWPCLZBMVMLICB-AWEZNQCLSA-N 1 1 327.388 0.100 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001008122780 753340232 /nfs/dbraw/zinc/34/02/32/753340232.db2.gz MRISKHGZGRNRLR-ZFWWWQNUSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001008122780 753340233 /nfs/dbraw/zinc/34/02/33/753340233.db2.gz MRISKHGZGRNRLR-ZFWWWQNUSA-N 1 1 331.420 0.699 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001051494928 762206133 /nfs/dbraw/zinc/20/61/33/762206133.db2.gz PNKLDUWPVKJXHJ-VXGBXAGGSA-N 1 1 334.424 0.579 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC001051495109 762207945 /nfs/dbraw/zinc/20/79/45/762207945.db2.gz QVJRXJZLROJPOS-OCCSQVGLSA-N 1 1 334.424 0.510 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001088623719 753381824 /nfs/dbraw/zinc/38/18/24/753381824.db2.gz QINBQYOYMYYPCF-CABCVRRESA-N 1 1 345.447 0.892 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC001008168207 753406200 /nfs/dbraw/zinc/40/62/00/753406200.db2.gz PRTBAKRZCAQSNN-HNNXBMFYSA-N 1 1 328.416 0.958 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)ncn3C)[C@H]2C)C1=O ZINC001088639667 753490366 /nfs/dbraw/zinc/49/03/66/753490366.db2.gz JJGBVQNJNXYASQ-ILXRZTDVSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)ncn3C)[C@H]2C)C1=O ZINC001088639667 753490369 /nfs/dbraw/zinc/49/03/69/753490369.db2.gz JJGBVQNJNXYASQ-ILXRZTDVSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@@]2(C)C1 ZINC000982771896 753515658 /nfs/dbraw/zinc/51/56/58/753515658.db2.gz FSLAHCZLTVWKFF-NXHRZFHOSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCOC2)CC1(C)C ZINC001008278400 753540990 /nfs/dbraw/zinc/54/09/90/753540990.db2.gz QVZRYQKKMIENJG-HRCADAONSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCOC2)CC1(C)C ZINC001008278400 753540996 /nfs/dbraw/zinc/54/09/96/753540996.db2.gz QVZRYQKKMIENJG-HRCADAONSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2cn[nH]c2)CC1(C)C ZINC001008280020 753542345 /nfs/dbraw/zinc/54/23/45/753542345.db2.gz ZZCBZXAVPLVROV-GJZGRUSLSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2cn[nH]c2)CC1(C)C ZINC001008280020 753542351 /nfs/dbraw/zinc/54/23/51/753542351.db2.gz ZZCBZXAVPLVROV-GJZGRUSLSA-N 1 1 343.431 0.474 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000982780699 753549115 /nfs/dbraw/zinc/54/91/15/753549115.db2.gz GTMZWLORXFBCLR-QWHCGFSZSA-N 1 1 329.404 0.416 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)s1 ZINC001008371503 753669080 /nfs/dbraw/zinc/66/90/80/753669080.db2.gz IQFHXWXUWNQODG-ZWNOBZJWSA-N 1 1 333.417 0.382 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)s1 ZINC001008371503 753669085 /nfs/dbraw/zinc/66/90/85/753669085.db2.gz IQFHXWXUWNQODG-ZWNOBZJWSA-N 1 1 333.417 0.382 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)CC)C[C@@]2(C)C1 ZINC001101218766 753696375 /nfs/dbraw/zinc/69/63/75/753696375.db2.gz KQCCUKKPFJUXOG-JLSDUUJJSA-N 1 1 337.464 0.572 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@@H]1O ZINC001083368154 753701965 /nfs/dbraw/zinc/70/19/65/753701965.db2.gz DYCYADWIXVUHQC-ZACQAIPSSA-N 1 1 346.406 0.453 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001083368212 753703115 /nfs/dbraw/zinc/70/31/15/753703115.db2.gz GPGYEXNOJSYOOZ-SQNIBIBYSA-N 1 1 327.428 0.294 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)nn1)C(=O)c1cc(C[NH+](C)C)on1 ZINC001105500106 753750652 /nfs/dbraw/zinc/75/06/52/753750652.db2.gz TXLQFFNUQWISNV-UHFFFAOYSA-N 1 1 343.391 0.606 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028593346 753751963 /nfs/dbraw/zinc/75/19/63/753751963.db2.gz JWUXPCKNZPUQFR-ZDUSSCGKSA-N 1 1 344.419 0.348 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028593346 753751968 /nfs/dbraw/zinc/75/19/68/753751968.db2.gz JWUXPCKNZPUQFR-ZDUSSCGKSA-N 1 1 344.419 0.348 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001008463045 753767641 /nfs/dbraw/zinc/76/76/41/753767641.db2.gz FGVILGQVCNDALY-ZDUSSCGKSA-N 1 1 334.420 0.475 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001008463045 753767646 /nfs/dbraw/zinc/76/76/46/753767646.db2.gz FGVILGQVCNDALY-ZDUSSCGKSA-N 1 1 334.420 0.475 20 30 ECEDMO CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1)C1CCC1 ZINC001083390312 753776208 /nfs/dbraw/zinc/77/62/08/753776208.db2.gz LKHSYJGWKLGFMQ-PMPSAXMXSA-N 1 1 332.404 0.476 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCC(=O)N(CC)CC)C2)nn1 ZINC001105375730 753816980 /nfs/dbraw/zinc/81/69/80/753816980.db2.gz MJWKMLGXTAEFTK-UHFFFAOYSA-N 1 1 348.451 0.586 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001008508648 753833900 /nfs/dbraw/zinc/83/39/00/753833900.db2.gz JVFUZEGGJRNDHC-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001008508648 753833906 /nfs/dbraw/zinc/83/39/06/753833906.db2.gz JVFUZEGGJRNDHC-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cncc(C(N)=O)c3)C[C@@]2(C)C1 ZINC000982816313 753839064 /nfs/dbraw/zinc/83/90/64/753839064.db2.gz HFEFVDJKVYVDNY-HDICACEKSA-N 1 1 326.400 0.598 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccnc3C(N)=O)C[C@@]2(C)C1 ZINC000982816258 753839479 /nfs/dbraw/zinc/83/94/79/753839479.db2.gz GMZRTTSCCQEJFP-KDURUIRLSA-N 1 1 340.427 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001028601757 753878686 /nfs/dbraw/zinc/87/86/86/753878686.db2.gz UUEMDESAYVSUQB-WMZOPIPTSA-N 1 1 343.475 0.498 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3cn(CC(N)=O)nn3)C[C@@]2(C)C1 ZINC000982830818 753880011 /nfs/dbraw/zinc/88/00/11/753880011.db2.gz ANZGVDHHJFEFGU-CALCHBBNSA-N 1 1 346.435 0.124 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000982836568 753907034 /nfs/dbraw/zinc/90/70/34/753907034.db2.gz OBMCLPONABSNKT-RDJZCZTQSA-N 1 1 342.443 0.620 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000982836568 753907039 /nfs/dbraw/zinc/90/70/39/753907039.db2.gz OBMCLPONABSNKT-RDJZCZTQSA-N 1 1 342.443 0.620 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccsn3)C2)C1=O ZINC001028620493 753952655 /nfs/dbraw/zinc/95/26/55/753952655.db2.gz BSMNCOYSMRNUGC-GXTWGEPZSA-N 1 1 334.445 0.982 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCN(C)c2ccncc2C#N)O1 ZINC001105602043 754026491 /nfs/dbraw/zinc/02/64/91/754026491.db2.gz DSVPQLRUGUXEQC-CZUORRHYSA-N 1 1 331.420 0.567 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCN(C)c2ccncc2C#N)O1 ZINC001105602043 754026495 /nfs/dbraw/zinc/02/64/95/754026495.db2.gz DSVPQLRUGUXEQC-CZUORRHYSA-N 1 1 331.420 0.567 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982864463 754027672 /nfs/dbraw/zinc/02/76/72/754027672.db2.gz WBXYOEUHZVBKRE-DOPJRALCSA-N 1 1 333.432 0.786 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028636772 754064541 /nfs/dbraw/zinc/06/45/41/754064541.db2.gz HLJKACJEEYJFMK-SNVBAGLBSA-N 1 1 347.824 0.731 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028636772 754064546 /nfs/dbraw/zinc/06/45/46/754064546.db2.gz HLJKACJEEYJFMK-SNVBAGLBSA-N 1 1 347.824 0.731 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3ncnn3CC)C[C@H]2C)nn1 ZINC000989535643 754079496 /nfs/dbraw/zinc/07/94/96/754079496.db2.gz CWHGTARRMYJBTE-OLZOCXBDSA-N 1 1 344.423 0.468 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(NC(=O)C(F)F)CCC[C@H]12 ZINC001014123295 762266561 /nfs/dbraw/zinc/26/65/61/762266561.db2.gz FNTRFCJAYKFDNI-DCGLDWPTSA-N 1 1 339.386 0.989 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(NC(=O)C(F)F)CCC[C@H]12 ZINC001014123295 762266566 /nfs/dbraw/zinc/26/65/66/762266566.db2.gz FNTRFCJAYKFDNI-DCGLDWPTSA-N 1 1 339.386 0.989 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nonc3C)C[C@@H]2C)nn1 ZINC000989544478 754093062 /nfs/dbraw/zinc/09/30/62/754093062.db2.gz RVHYXZCNSQSZCL-WCQYABFASA-N 1 1 345.407 0.938 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3ncnn3C)C[C@@H]2C)nn1 ZINC000989544816 754093631 /nfs/dbraw/zinc/09/36/31/754093631.db2.gz XUJSCRQARKCWKK-STQMWFEESA-N 1 1 344.423 0.376 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3ncnn3C)C2)CC1 ZINC000982888493 754098712 /nfs/dbraw/zinc/09/87/12/754098712.db2.gz CWZKUPLXXIBQHB-UONOGXRCSA-N 1 1 346.435 0.462 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccon3)[C@@H]2C1 ZINC001008821090 754156853 /nfs/dbraw/zinc/15/68/53/754156853.db2.gz KJQFMMHNMZDGBL-AYDFFVQHSA-N 1 1 342.399 0.206 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccon3)[C@@H]2C1 ZINC001008821090 754156856 /nfs/dbraw/zinc/15/68/56/754156856.db2.gz KJQFMMHNMZDGBL-AYDFFVQHSA-N 1 1 342.399 0.206 20 30 ECEDMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC001051523251 762273709 /nfs/dbraw/zinc/27/37/09/762273709.db2.gz ASJBKUXTDUSPQE-LBPRGKRZSA-N 1 1 330.348 0.209 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ocnc2C)C1 ZINC000982920685 754199191 /nfs/dbraw/zinc/19/91/91/754199191.db2.gz FPCZPCJTXXUBPD-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ocnc2C)C1 ZINC000982920685 754199192 /nfs/dbraw/zinc/19/91/92/754199192.db2.gz FPCZPCJTXXUBPD-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000982955260 754286148 /nfs/dbraw/zinc/28/61/48/754286148.db2.gz AFUIVUYKPNPQHS-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC3(C)C)[C@@H]2C1 ZINC001008958173 754359007 /nfs/dbraw/zinc/35/90/07/754359007.db2.gz JUZWEKQHPHRAIQ-UUAJXVIYSA-N 1 1 343.471 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC3(C)C)[C@@H]2C1 ZINC001008958173 754359015 /nfs/dbraw/zinc/35/90/15/754359015.db2.gz JUZWEKQHPHRAIQ-UUAJXVIYSA-N 1 1 343.471 0.951 20 30 ECEDMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111600144 762306062 /nfs/dbraw/zinc/30/60/62/762306062.db2.gz OTEYZKOKSMQAHM-YDHLFZDLSA-N 1 1 327.450 0.221 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN(CCOC)c1ncccc1C#N ZINC001126403634 754520195 /nfs/dbraw/zinc/52/01/95/754520195.db2.gz KXCWRMUBTTZKMU-UHFFFAOYSA-N 1 1 333.436 0.864 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001054239279 767849946 /nfs/dbraw/zinc/84/99/46/767849946.db2.gz MQRWNFGPUZAJLG-KRWDZBQOSA-N 1 1 332.404 0.600 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001009257541 754714839 /nfs/dbraw/zinc/71/48/39/754714839.db2.gz FCMMFEUREWAKBP-CYBMUJFWSA-N 1 1 325.368 0.788 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001009257541 754714844 /nfs/dbraw/zinc/71/48/44/754714844.db2.gz FCMMFEUREWAKBP-CYBMUJFWSA-N 1 1 325.368 0.788 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001059096715 754723277 /nfs/dbraw/zinc/72/32/77/754723277.db2.gz NMQODTYLSALBPI-MELADBBJSA-N 1 1 328.420 0.513 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCN3CCNC3=O)C2)cn1 ZINC001009273268 754730084 /nfs/dbraw/zinc/73/00/84/754730084.db2.gz FBVYYSFRTVOFGM-INIZCTEOSA-N 1 1 341.415 0.282 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)cn1 ZINC001009273268 754730087 /nfs/dbraw/zinc/73/00/87/754730087.db2.gz FBVYYSFRTVOFGM-INIZCTEOSA-N 1 1 341.415 0.282 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCn2cncn2)CC3)c1 ZINC000990160820 754786247 /nfs/dbraw/zinc/78/62/47/754786247.db2.gz KVJCGBWPSOURMR-RDJZCZTQSA-N 1 1 339.403 0.905 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990162768 754787666 /nfs/dbraw/zinc/78/76/66/754787666.db2.gz PJCNXBDJSBKMMN-CKEIUWERSA-N 1 1 329.404 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001009346492 754794494 /nfs/dbraw/zinc/79/44/94/754794494.db2.gz LKSWKTVXKFVNKK-ZBFHGGJFSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001009346492 754794498 /nfs/dbraw/zinc/79/44/98/754794498.db2.gz LKSWKTVXKFVNKK-ZBFHGGJFSA-N 1 1 345.447 0.628 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009354604 754798489 /nfs/dbraw/zinc/79/84/89/754798489.db2.gz UKEVYRNMSZWJKG-IAGOWNOFSA-N 1 1 325.412 0.680 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009354604 754798494 /nfs/dbraw/zinc/79/84/94/754798494.db2.gz UKEVYRNMSZWJKG-IAGOWNOFSA-N 1 1 325.412 0.680 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3csnn3)C2)C1=O ZINC001028720073 754834182 /nfs/dbraw/zinc/83/41/82/754834182.db2.gz PLDAKJLYZCONIK-YPMHNXCESA-N 1 1 335.433 0.377 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001009418102 754865608 /nfs/dbraw/zinc/86/56/08/754865608.db2.gz LOJXBERDPRXDOC-AWEZNQCLSA-N 1 1 326.404 0.959 20 30 ECEDMO N#Cc1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cscn3)C2)c[nH]1 ZINC001051563675 762346847 /nfs/dbraw/zinc/34/68/47/762346847.db2.gz SZEKPSRXRPYCOI-AWEZNQCLSA-N 1 1 331.401 0.974 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCn2cncn2)CC3)[nH]1 ZINC000990248902 754876391 /nfs/dbraw/zinc/87/63/91/754876391.db2.gz AQUQMTGXMKRSLO-RDJZCZTQSA-N 1 1 339.403 0.905 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)C1=O ZINC000990254794 754881573 /nfs/dbraw/zinc/88/15/73/754881573.db2.gz WVEBOPLEHUFJFZ-HDMKZQKVSA-N 1 1 341.415 0.844 20 30 ECEDMO COc1cc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)on1 ZINC001051562767 762344167 /nfs/dbraw/zinc/34/41/67/762344167.db2.gz KIELIQHGLDKOGB-AWEZNQCLSA-N 1 1 345.359 0.514 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028735426 754917735 /nfs/dbraw/zinc/91/77/35/754917735.db2.gz MJIGSELSYCBXRI-CJNGLKHVSA-N 1 1 326.400 0.632 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)cc1 ZINC001028735040 754920751 /nfs/dbraw/zinc/92/07/51/754920751.db2.gz FYUYGGGXQFGDGD-CVEARBPZSA-N 1 1 326.400 0.632 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001028741603 754946654 /nfs/dbraw/zinc/94/66/54/754946654.db2.gz DOUOAEJPTUTFTD-NEPJUHHUSA-N 1 1 344.253 0.811 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001028741603 754946657 /nfs/dbraw/zinc/94/66/57/754946657.db2.gz DOUOAEJPTUTFTD-NEPJUHHUSA-N 1 1 344.253 0.811 20 30 ECEDMO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1=O ZINC001028742678 754950341 /nfs/dbraw/zinc/95/03/41/754950341.db2.gz ZRTKCEGGTMQTJK-DLBZAZTESA-N 1 1 340.427 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000983242269 754982222 /nfs/dbraw/zinc/98/22/22/754982222.db2.gz RHHQJEPRCVKGSD-IKGGRYGDSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000983242269 754982226 /nfs/dbraw/zinc/98/22/26/754982226.db2.gz RHHQJEPRCVKGSD-IKGGRYGDSA-N 1 1 347.459 0.475 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000983261300 755011148 /nfs/dbraw/zinc/01/11/48/755011148.db2.gz NWGVKWCXVPTLLU-CABCVRRESA-N 1 1 335.448 0.638 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000983261300 755011150 /nfs/dbraw/zinc/01/11/50/755011150.db2.gz NWGVKWCXVPTLLU-CABCVRRESA-N 1 1 335.448 0.638 20 30 ECEDMO Cc1cc(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001059108914 755031592 /nfs/dbraw/zinc/03/15/92/755031592.db2.gz OGSHKHDVYLGMEZ-UKPHBRMFSA-N 1 1 343.431 0.416 20 30 ECEDMO Cc1cc(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001059108914 755031598 /nfs/dbraw/zinc/03/15/98/755031598.db2.gz OGSHKHDVYLGMEZ-UKPHBRMFSA-N 1 1 343.431 0.416 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)C2)cc1 ZINC001028766014 755032517 /nfs/dbraw/zinc/03/25/17/755032517.db2.gz KZDTVJSTDAMRQZ-OAHLLOKOSA-N 1 1 337.383 0.893 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001028766545 755037621 /nfs/dbraw/zinc/03/76/21/755037621.db2.gz VGHVKGMZCHQJQO-JTQLQIEISA-N 1 1 341.209 0.730 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001028766545 755037628 /nfs/dbraw/zinc/03/76/28/755037628.db2.gz VGHVKGMZCHQJQO-JTQLQIEISA-N 1 1 341.209 0.730 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001028792642 755140841 /nfs/dbraw/zinc/14/08/41/755140841.db2.gz KQNGHRPWZYSCIX-HNNXBMFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CNc3nccnc3C#N)C2)C1 ZINC001060034249 755155647 /nfs/dbraw/zinc/15/56/47/755155647.db2.gz DECGZAHKKHGWOH-UONOGXRCSA-N 1 1 328.420 0.950 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001028809688 755199559 /nfs/dbraw/zinc/19/95/59/755199559.db2.gz NMGCRCIBZBQZFR-BBWFWOEESA-N 1 1 345.443 0.915 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001060037776 755213168 /nfs/dbraw/zinc/21/31/68/755213168.db2.gz MLYACNFXCNBPCN-MRXNPFEDSA-N 1 1 337.464 0.723 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001028851739 755306412 /nfs/dbraw/zinc/30/64/12/755306412.db2.gz VEILDLZWTUETKC-CYBMUJFWSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]([C@@H](C)c3nnc(C)o3)C2)nn1 ZINC001028853528 755313097 /nfs/dbraw/zinc/31/30/97/755313097.db2.gz UYBJANSNQNINSX-AAEUAGOBSA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)c3nnc(C)o3)C2)nn1 ZINC001028853528 755313102 /nfs/dbraw/zinc/31/31/02/755313102.db2.gz UYBJANSNQNINSX-AAEUAGOBSA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]([C@H](C)c3nc(C)no3)C2)nn1 ZINC001028853115 755315120 /nfs/dbraw/zinc/31/51/20/755315120.db2.gz PISHVKPZOBZPOW-DGCLKSJQSA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)c3nc(C)no3)C2)nn1 ZINC001028853115 755315124 /nfs/dbraw/zinc/31/51/24/755315124.db2.gz PISHVKPZOBZPOW-DGCLKSJQSA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccncn3)C2)C1=O ZINC001028879112 755371949 /nfs/dbraw/zinc/37/19/49/755371949.db2.gz FJKJVKSXQULDDL-UKRRQHHQSA-N 1 1 329.404 0.315 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cccnn3)C2)C1=O ZINC001028884857 755383265 /nfs/dbraw/zinc/38/32/65/755383265.db2.gz MPFRMATVRCDOGA-DZGCQCFKSA-N 1 1 329.404 0.315 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4ncc[nH]4)CCC[C@@H]23)C1=O ZINC000990589291 755456426 /nfs/dbraw/zinc/45/64/26/755456426.db2.gz NSNAWNMQGCZZEX-PMUMKWKESA-N 1 1 343.431 0.923 20 30 ECEDMO C=C[C@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)c1ccccc1 ZINC000990620547 755507067 /nfs/dbraw/zinc/50/70/67/755507067.db2.gz BTMXRYUUMMRRKW-IRXDYDNUSA-N 1 1 343.427 0.614 20 30 ECEDMO C=C[C@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)c1ccccc1 ZINC000990620547 755507070 /nfs/dbraw/zinc/50/70/70/755507070.db2.gz BTMXRYUUMMRRKW-IRXDYDNUSA-N 1 1 343.427 0.614 20 30 ECEDMO C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncn[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105666899 755584655 /nfs/dbraw/zinc/58/46/55/755584655.db2.gz KWYFJRKODNZPJZ-KNCCTNLNSA-N 1 1 347.463 0.889 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@H]12 ZINC000990667139 755589226 /nfs/dbraw/zinc/58/92/26/755589226.db2.gz ZEEDUYCNWWQLCW-DHSIGJKJSA-N 1 1 341.415 0.509 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3coc(OC)n3)[C@H]2C)C1=O ZINC001088775036 755632808 /nfs/dbraw/zinc/63/28/08/755632808.db2.gz XHXKIOVRQZKDGZ-MBNYWOFBSA-N 1 1 348.403 0.663 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3coc(OC)n3)[C@H]2C)C1=O ZINC001088775036 755632812 /nfs/dbraw/zinc/63/28/12/755632812.db2.gz XHXKIOVRQZKDGZ-MBNYWOFBSA-N 1 1 348.403 0.663 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990705007 755655226 /nfs/dbraw/zinc/65/52/26/755655226.db2.gz WXQJXVQZFMZBIZ-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC001075996020 755670693 /nfs/dbraw/zinc/67/06/93/755670693.db2.gz POUNHPRSHRYFSQ-SMDDNHRTSA-N 1 1 328.372 0.745 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088793409 755707757 /nfs/dbraw/zinc/70/77/57/755707757.db2.gz GJMHHJCRLACRFP-SWHYSGLUSA-N 1 1 332.429 0.835 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088793409 755707760 /nfs/dbraw/zinc/70/77/60/755707760.db2.gz GJMHHJCRLACRFP-SWHYSGLUSA-N 1 1 332.429 0.835 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990721548 755753877 /nfs/dbraw/zinc/75/38/77/755753877.db2.gz IVPSSTNEIAUXNL-INIZCTEOSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)[C@@H](O)C1 ZINC001083509104 755780162 /nfs/dbraw/zinc/78/01/62/755780162.db2.gz OXIUMTDSBPUKDH-KURKYZTESA-N 1 1 328.412 0.910 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)[C@@H](O)C1 ZINC001083509104 755780165 /nfs/dbraw/zinc/78/01/65/755780165.db2.gz OXIUMTDSBPUKDH-KURKYZTESA-N 1 1 328.412 0.910 20 30 ECEDMO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)o1 ZINC001083520601 755876450 /nfs/dbraw/zinc/87/64/50/755876450.db2.gz REMDROXCRMHUFI-SJORKVTESA-N 1 1 340.383 0.759 20 30 ECEDMO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)o1 ZINC001083520601 755876456 /nfs/dbraw/zinc/87/64/56/755876456.db2.gz REMDROXCRMHUFI-SJORKVTESA-N 1 1 340.383 0.759 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccc3c2oc(=O)n3C)[C@@H](O)C1 ZINC001083522661 755888133 /nfs/dbraw/zinc/88/81/33/755888133.db2.gz QNWUVXMRCVMOLY-OCCSQVGLSA-N 1 1 331.372 0.483 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001010293604 755953596 /nfs/dbraw/zinc/95/35/96/755953596.db2.gz NZDYJCHDTQTEET-HIFRSBDPSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001010293604 755953598 /nfs/dbraw/zinc/95/35/98/755953598.db2.gz NZDYJCHDTQTEET-HIFRSBDPSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 ZINC001105680030 755980704 /nfs/dbraw/zinc/98/07/04/755980704.db2.gz PYTGRISVHDNERK-BHYGNILZSA-N 1 1 348.491 0.824 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cncc3ncn(C)c32)[C@@H](O)C1 ZINC001083538907 756000001 /nfs/dbraw/zinc/00/00/01/756000001.db2.gz XOSGXLHZUUAWJO-CABCVRRESA-N 1 1 329.404 0.709 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076028549 756015584 /nfs/dbraw/zinc/01/55/84/756015584.db2.gz GOSHOZHHIIYYEP-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076028549 756015590 /nfs/dbraw/zinc/01/55/90/756015590.db2.gz GOSHOZHHIIYYEP-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2ncccn2)[C@@H](O)C1 ZINC001083539059 756023858 /nfs/dbraw/zinc/02/38/58/756023858.db2.gz FGXOWHXKNWOUIV-OAGGEKHMSA-N 1 1 345.447 0.573 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC001076079488 756069887 /nfs/dbraw/zinc/06/98/87/756069887.db2.gz ZRCCVPYZDLBMRU-AEGPPILISA-N 1 1 329.404 0.474 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC001076079454 756069928 /nfs/dbraw/zinc/06/99/28/756069928.db2.gz XTDIPONALDOFGA-CWRNSKLLSA-N 1 1 343.431 0.864 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)[C@@H]2C1 ZINC001076108248 756094168 /nfs/dbraw/zinc/09/41/68/756094168.db2.gz GMIABFQNYMBZJS-LSDHHAIUSA-N 1 1 339.399 0.052 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001010428004 756125581 /nfs/dbraw/zinc/12/55/81/756125581.db2.gz OHHPTRIVIREIKL-DLBZAZTESA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001010428004 756125586 /nfs/dbraw/zinc/12/55/86/756125586.db2.gz OHHPTRIVIREIKL-DLBZAZTESA-N 1 1 346.406 0.718 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)c1 ZINC001010480152 756170273 /nfs/dbraw/zinc/17/02/73/756170273.db2.gz RXILGKOABYCFOB-QWHCGFSZSA-N 1 1 325.376 0.469 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC001076181031 756179229 /nfs/dbraw/zinc/17/92/29/756179229.db2.gz JUPGJRMFXVQTKA-GRDNDAEWSA-N 1 1 327.432 0.476 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)[nH]1 ZINC001051608608 762457255 /nfs/dbraw/zinc/45/72/55/762457255.db2.gz FVICIQRZNRWPAO-AWEZNQCLSA-N 1 1 331.420 0.659 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)c(C(N)=O)cn3)[C@@H]2C1 ZINC001076266909 756303770 /nfs/dbraw/zinc/30/37/70/756303770.db2.gz UUFFGXLWHFXCPD-XJKSGUPXSA-N 1 1 326.400 0.659 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001076268025 756305636 /nfs/dbraw/zinc/30/56/36/756305636.db2.gz XWJBBNJZKCMTBG-QLFBSQMISA-N 1 1 330.436 0.734 20 30 ECEDMO CC(C)(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051609018 762458514 /nfs/dbraw/zinc/45/85/14/762458514.db2.gz MNLDJTDPRZTMEU-OAHLLOKOSA-N 1 1 345.447 0.764 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)[nH]1 ZINC001010657213 756359282 /nfs/dbraw/zinc/35/92/82/756359282.db2.gz ONGAWAIGYXICCP-CHWSQXEVSA-N 1 1 325.376 0.469 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010688796 756400299 /nfs/dbraw/zinc/40/02/99/756400299.db2.gz HONFROWBCIFWCH-WBVHZDCISA-N 1 1 346.406 0.718 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010688796 756400304 /nfs/dbraw/zinc/40/03/04/756400304.db2.gz HONFROWBCIFWCH-WBVHZDCISA-N 1 1 346.406 0.718 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1 ZINC001076360906 756414581 /nfs/dbraw/zinc/41/45/81/756414581.db2.gz WLHHWZQBZGUXGF-DZGCQCFKSA-N 1 1 339.399 0.501 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)[C@@H]2C1 ZINC001076366948 756426011 /nfs/dbraw/zinc/42/60/11/756426011.db2.gz OFDFRRDYWPCDJL-LSDHHAIUSA-N 1 1 346.431 0.426 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cc3nnn(C(C)(C)C)n3)CCC[C@H]12 ZINC000990869055 756433531 /nfs/dbraw/zinc/43/35/31/756433531.db2.gz GRYCSCYTYAFCJE-SUMWQHHRSA-N 1 1 330.436 0.717 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC1(F)F ZINC001076387133 756460945 /nfs/dbraw/zinc/46/09/45/756460945.db2.gz UGKFEZCRAWEGOD-XQQFMLRXSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC1(F)F ZINC001076387133 756460947 /nfs/dbraw/zinc/46/09/47/756460947.db2.gz UGKFEZCRAWEGOD-XQQFMLRXSA-N 1 1 327.375 0.750 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4ncc[nH]4)[C@@H]3C2)C1=O ZINC001076402381 756476323 /nfs/dbraw/zinc/47/63/23/756476323.db2.gz RMYWFKOISFEDLH-SOUVJXGZSA-N 1 1 343.431 0.272 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)nc1 ZINC001076476070 756562489 /nfs/dbraw/zinc/56/24/89/756562489.db2.gz UJHFIMUMDVTUKC-NUEKZKHPSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](CC)C(N)=O)C[C@H]32)nc1 ZINC001076476070 756562491 /nfs/dbraw/zinc/56/24/91/756562491.db2.gz UJHFIMUMDVTUKC-NUEKZKHPSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)cn1 ZINC001076476894 756564110 /nfs/dbraw/zinc/56/41/10/756564110.db2.gz HCOAOLDJITZSMK-UKPHBRMFSA-N 1 1 340.427 0.686 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)cn1 ZINC001076476894 756564114 /nfs/dbraw/zinc/56/41/14/756564114.db2.gz HCOAOLDJITZSMK-UKPHBRMFSA-N 1 1 340.427 0.686 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)cn1 ZINC001076477066 756564191 /nfs/dbraw/zinc/56/41/91/756564191.db2.gz OLIJQDOAOAEWIW-WMLDXEAASA-N 1 1 338.411 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)cn1 ZINC001076477066 756564195 /nfs/dbraw/zinc/56/41/95/756564195.db2.gz OLIJQDOAOAEWIW-WMLDXEAASA-N 1 1 338.411 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2oc(C)nc2C)CC1 ZINC001010878109 756634533 /nfs/dbraw/zinc/63/45/33/756634533.db2.gz ZNSAMLSRDMOYNO-HNNXBMFYSA-N 1 1 344.415 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2oc(C)nc2C)CC1 ZINC001010878109 756634537 /nfs/dbraw/zinc/63/45/37/756634537.db2.gz ZNSAMLSRDMOYNO-HNNXBMFYSA-N 1 1 344.415 0.673 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)c1 ZINC001010921219 756671328 /nfs/dbraw/zinc/67/13/28/756671328.db2.gz URZZTDMRYBXOKT-SFHVURJKSA-N 1 1 341.415 0.657 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001011026208 756787247 /nfs/dbraw/zinc/78/72/47/756787247.db2.gz QJWRQKKHRYFOLJ-ZDUSSCGKSA-N 1 1 329.404 0.513 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@H+]1C ZINC001011027741 756789662 /nfs/dbraw/zinc/78/96/62/756789662.db2.gz BJNHBZOPYJKNFF-KBPBESRZSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCC(O)CC2)CC1 ZINC001011063100 756861003 /nfs/dbraw/zinc/86/10/03/756861003.db2.gz LGTBBCNOMQCOSP-JCYILVPMSA-N 1 1 347.459 0.306 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCC(O)CC2)CC1 ZINC001011063100 756861008 /nfs/dbraw/zinc/86/10/08/756861008.db2.gz LGTBBCNOMQCOSP-JCYILVPMSA-N 1 1 347.459 0.306 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)cc1 ZINC001076700353 756876010 /nfs/dbraw/zinc/87/60/10/756876010.db2.gz IABZNKOCJRJRNZ-HUUCEWRRSA-N 1 1 329.356 0.108 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)cc1 ZINC001076700353 756876017 /nfs/dbraw/zinc/87/60/17/756876017.db2.gz IABZNKOCJRJRNZ-HUUCEWRRSA-N 1 1 329.356 0.108 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990929367 756895075 /nfs/dbraw/zinc/89/50/75/756895075.db2.gz QWWOTVRASGVFDB-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)c[nH]1 ZINC001048778615 756963852 /nfs/dbraw/zinc/96/38/52/756963852.db2.gz FKJFXEWTUMPQQJ-VNHYZAJKSA-N 1 1 327.388 0.169 20 30 ECEDMO O=C(C#CC1CC1)N1CC(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000996111212 756970646 /nfs/dbraw/zinc/97/06/46/756970646.db2.gz KFPJBPJLGAXNBY-UHFFFAOYSA-N 1 1 326.400 0.502 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@H]3C2)c1 ZINC001048796356 757027040 /nfs/dbraw/zinc/02/70/40/757027040.db2.gz MQQHBLATVVFWJY-XHSDSOJGSA-N 1 1 340.383 0.557 20 30 ECEDMO CCO[C@@H](C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1)C1CC1 ZINC001107149806 757052857 /nfs/dbraw/zinc/05/28/57/757052857.db2.gz RAWKVALPUHFSGO-LRDDRELGSA-N 1 1 346.435 0.726 20 30 ECEDMO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](CC[C@@H]3CCCCO3)C2)nn1 ZINC001107149989 757054778 /nfs/dbraw/zinc/05/47/78/757054778.db2.gz XMZQXYMTTJWNBX-BBRMVZONSA-N 1 1 346.435 0.870 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011160932 757073924 /nfs/dbraw/zinc/07/39/24/757073924.db2.gz YIBOMEISPPSCKI-OAHLLOKOSA-N 1 1 330.432 0.910 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)[nH]n1 ZINC001076774125 757083707 /nfs/dbraw/zinc/08/37/07/757083707.db2.gz DOFBJXKNJFPBOR-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)[nH]n1 ZINC001076774125 757083722 /nfs/dbraw/zinc/08/37/22/757083722.db2.gz DOFBJXKNJFPBOR-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@H]2C1 ZINC001048814896 757083845 /nfs/dbraw/zinc/08/38/45/757083845.db2.gz FQZPTTUMEFBODD-BETUJISGSA-N 1 1 339.827 0.681 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@H]2C1 ZINC001048814896 757083853 /nfs/dbraw/zinc/08/38/53/757083853.db2.gz FQZPTTUMEFBODD-BETUJISGSA-N 1 1 339.827 0.681 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3cncnc3)nn2)C1 ZINC001107163974 757198132 /nfs/dbraw/zinc/19/81/32/757198132.db2.gz KCYAEVKAVAUTOG-UHFFFAOYSA-N 1 1 327.392 0.360 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CC3OCCCO3)nn2)C1 ZINC001107164055 757198338 /nfs/dbraw/zinc/19/83/38/757198338.db2.gz NYYKTYWCNSGLJG-UHFFFAOYSA-N 1 1 335.408 0.480 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@H]2C1 ZINC001048870172 757238697 /nfs/dbraw/zinc/23/86/97/757238697.db2.gz QZWFHEMQSKBKBG-BBWFWOEESA-N 1 1 339.443 0.859 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3nnc(C)o3)C2)nn1 ZINC001098666982 757251867 /nfs/dbraw/zinc/25/18/67/757251867.db2.gz NMOJUAKGDLUNTO-CQSZACIVSA-N 1 1 345.407 0.651 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001011239861 757269574 /nfs/dbraw/zinc/26/95/74/757269574.db2.gz HNNGLEAKZJGGIM-IUODEOHRSA-N 1 1 344.419 0.620 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001011239861 757269578 /nfs/dbraw/zinc/26/95/78/757269578.db2.gz HNNGLEAKZJGGIM-IUODEOHRSA-N 1 1 344.419 0.620 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)c1 ZINC001076824147 757276866 /nfs/dbraw/zinc/27/68/66/757276866.db2.gz XNFMEJHAEWIIRA-BRWVUGGUSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)c1 ZINC001076824147 757276876 /nfs/dbraw/zinc/27/68/76/757276876.db2.gz XNFMEJHAEWIIRA-BRWVUGGUSA-N 1 1 329.400 0.646 20 30 ECEDMO C=CCC(CC=C)C(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107174704 757289051 /nfs/dbraw/zinc/28/90/51/757289051.db2.gz XZZGKMAALZOUIO-UHFFFAOYSA-N 1 1 333.436 0.902 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 ZINC001107179808 757296779 /nfs/dbraw/zinc/29/67/79/757296779.db2.gz SFGWBZKQURPBEP-OAHLLOKOSA-N 1 1 345.451 0.537 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3C#N)C2)C1 ZINC001068464504 790324344 /nfs/dbraw/zinc/32/43/44/790324344.db2.gz ONQPFGOWKVBNFU-QEJZJMRPSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3C#N)C2)C1 ZINC001068464504 790324349 /nfs/dbraw/zinc/32/43/49/790324349.db2.gz ONQPFGOWKVBNFU-QEJZJMRPSA-N 1 1 329.404 0.591 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(C)C(=O)C3)C[C@H]2C1 ZINC001048898317 757333862 /nfs/dbraw/zinc/33/38/62/757333862.db2.gz OMDSLCCFZPITBP-MELADBBJSA-N 1 1 325.840 0.998 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCNC(=O)NC)C2)nn1 ZINC001098667078 757348761 /nfs/dbraw/zinc/34/87/61/757348761.db2.gz PYMMMWYNRAXPHX-CQSZACIVSA-N 1 1 349.439 0.036 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001021403604 757397723 /nfs/dbraw/zinc/39/77/23/757397723.db2.gz XJWRTJRRYKBSNB-APHBMKBZSA-N 1 1 341.415 0.653 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001048923824 757424998 /nfs/dbraw/zinc/42/49/98/757424998.db2.gz ZXHRDFOPFRGQFX-FZKCQIBNSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@H]2C1 ZINC001048927003 757432433 /nfs/dbraw/zinc/43/24/33/757432433.db2.gz YMBGZNBSBJOXKG-GASCZTMLSA-N 1 1 329.400 0.741 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)[nH]1 ZINC001076898467 757516251 /nfs/dbraw/zinc/51/62/51/757516251.db2.gz KJWPEIJHXLWXOA-BRWVUGGUSA-N 1 1 346.431 0.602 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)[nH]3)C(C)(C)C2)nn1 ZINC000996389691 757519366 /nfs/dbraw/zinc/51/93/66/757519366.db2.gz QAVWXBNKYWNHSJ-CYBMUJFWSA-N 1 1 344.423 0.531 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)C[C@H]2C1 ZINC001048971717 757556702 /nfs/dbraw/zinc/55/67/02/757556702.db2.gz RPDXHKMZGVQKEV-BETUJISGSA-N 1 1 342.407 0.274 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)C[C@@H]3C2)cc1 ZINC001048973231 757560865 /nfs/dbraw/zinc/56/08/65/757560865.db2.gz JBVYYZKQWDQJOJ-CALCHBBNSA-N 1 1 346.452 0.716 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@H]3C2)cc1 ZINC001048973231 757560870 /nfs/dbraw/zinc/56/08/70/757560870.db2.gz JBVYYZKQWDQJOJ-CALCHBBNSA-N 1 1 346.452 0.716 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](C[C@H](O)CN3CCCC3=O)C[C@@H]2C1 ZINC001048980187 757595036 /nfs/dbraw/zinc/59/50/36/757595036.db2.gz KFKCJBIQNDWOBF-XHSDSOJGSA-N 1 1 349.475 0.572 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC001011405550 757641842 /nfs/dbraw/zinc/64/18/42/757641842.db2.gz QFORXIFVZRRJOS-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC001021589381 757652402 /nfs/dbraw/zinc/65/24/02/757652402.db2.gz UDZXROZPFRAZTF-YESZJQIVSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)C[N@@H+]3CCC[C@@H]3C)nn2)C1 ZINC001107209538 757687850 /nfs/dbraw/zinc/68/78/50/757687850.db2.gz TTXACILPZLPQHW-AWEZNQCLSA-N 1 1 330.436 0.259 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 ZINC001021627877 757707618 /nfs/dbraw/zinc/70/76/18/757707618.db2.gz QKIKOIXTPQBLBI-HOTGVXAUSA-N 1 1 345.443 0.862 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)c1 ZINC001021662417 757755327 /nfs/dbraw/zinc/75/53/27/757755327.db2.gz VITRSCPUOVAGIY-CZUORRHYSA-N 1 1 344.390 0.996 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021714581 757852163 /nfs/dbraw/zinc/85/21/63/757852163.db2.gz XPRIRNAWIAXNSF-CABCVRRESA-N 1 1 348.447 0.769 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021714932 757853773 /nfs/dbraw/zinc/85/37/73/757853773.db2.gz YVCWYFBUCNCJKY-GJZGRUSLSA-N 1 1 346.431 0.217 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(=O)NC)CC[C@H]32)cn1 ZINC001021717552 757856659 /nfs/dbraw/zinc/85/66/59/757856659.db2.gz PIFCPEYJIDHZOE-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]32)nc1 ZINC001021718593 757858241 /nfs/dbraw/zinc/85/82/41/757858241.db2.gz ZRRBCHDTGHAQKO-ZBFHGGJFSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]32)nc1 ZINC001021718593 757858250 /nfs/dbraw/zinc/85/82/50/757858250.db2.gz ZRRBCHDTGHAQKO-ZBFHGGJFSA-N 1 1 326.400 0.475 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021729547 757871522 /nfs/dbraw/zinc/87/15/22/757871522.db2.gz GAZOMSPMTZXMMT-KBPBESRZSA-N 1 1 334.420 0.379 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001021731682 757875467 /nfs/dbraw/zinc/87/54/67/757875467.db2.gz XHYGKIXNOMEWLX-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001049069882 757875659 /nfs/dbraw/zinc/87/56/59/757875659.db2.gz VBQDRHZFFOYOCR-TWMKSMIVSA-N 1 1 330.432 0.901 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@H]2C1 ZINC001049073871 757886313 /nfs/dbraw/zinc/88/63/13/757886313.db2.gz TVEMVTKRSJTBBQ-OKILXGFUSA-N 1 1 328.416 0.378 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCO)CC[C@H]32)CC1 ZINC001021738728 757888058 /nfs/dbraw/zinc/88/80/58/757888058.db2.gz CVDGVNHFSIXPGZ-ZWKOTPCHSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCO)CC[C@H]32)CC1 ZINC001021738728 757888067 /nfs/dbraw/zinc/88/80/67/757888067.db2.gz CVDGVNHFSIXPGZ-ZWKOTPCHSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3CN(CC(N)=O)CC[C@H]32)CC1 ZINC001021739086 757889379 /nfs/dbraw/zinc/88/93/79/757889379.db2.gz GJYZMATUDTVUQQ-IAGOWNOFSA-N 1 1 346.475 0.130 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001076996739 757898846 /nfs/dbraw/zinc/89/88/46/757898846.db2.gz LCZNKOHZKQILIH-NUEKZKHPSA-N 1 1 334.420 0.504 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107229040 757990024 /nfs/dbraw/zinc/99/00/24/757990024.db2.gz AAWYRVYUNDXQRR-AWEZNQCLSA-N 1 1 330.436 0.116 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@H]2C1 ZINC001049113950 757999603 /nfs/dbraw/zinc/99/96/03/757999603.db2.gz VWLSDRGCLOPCMM-IJEWVQPXSA-N 1 1 326.462 0.920 20 30 ECEDMO O=C(c1nc[nH]n1)N1C[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001049122843 758033473 /nfs/dbraw/zinc/03/34/73/758033473.db2.gz LLFYYHMWLPNXCL-GASCZTMLSA-N 1 1 339.374 0.999 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C(C)(C)NC(=O)NC)nn2)C1 ZINC001107238828 758033801 /nfs/dbraw/zinc/03/38/01/758033801.db2.gz RSBVVWOEWVCRBP-UHFFFAOYSA-N 1 1 349.439 0.035 20 30 ECEDMO N#Cc1ccc(NC/C=C\CNC(=O)CC[NH+]2CCOCC2)cn1 ZINC001107254477 758054522 /nfs/dbraw/zinc/05/45/22/758054522.db2.gz UPFWDHCBXKDEMK-UPHRSURJSA-N 1 1 329.404 0.760 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4ncc[nH]4)C[C@H]3C2)C1=O ZINC001049131877 758070647 /nfs/dbraw/zinc/07/06/47/758070647.db2.gz SPXFVUXUSUHTMI-ZNMIVQPWSA-N 1 1 343.431 0.129 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001021959138 758096848 /nfs/dbraw/zinc/09/68/48/758096848.db2.gz QQRBZWWMWWCGLV-VNHYZAJKSA-N 1 1 331.420 0.284 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001077083620 758116847 /nfs/dbraw/zinc/11/68/47/758116847.db2.gz BECKFMJADYYPMU-NUEKZKHPSA-N 1 1 335.448 0.208 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051654381 762601057 /nfs/dbraw/zinc/60/10/57/762601057.db2.gz MBYSIDFHHQMUTH-AWEZNQCLSA-N 1 1 331.376 0.688 20 30 ECEDMO N#Cc1cncc(NC/C=C/CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)n1 ZINC001107281535 758137742 /nfs/dbraw/zinc/13/77/42/758137742.db2.gz MQFYUSDTHWQYJD-IMLGJKEDSA-N 1 1 326.404 0.918 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001051655011 762604661 /nfs/dbraw/zinc/60/46/61/762604661.db2.gz XKWAMDVYIDPURS-OAHLLOKOSA-N 1 1 344.419 0.433 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccc[nH]3)CCC[C@@H]12 ZINC001107274042 758162173 /nfs/dbraw/zinc/16/21/73/758162173.db2.gz MKSSIGYJFHOJRS-RHSMWYFYSA-N 1 1 329.404 0.629 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC001049167369 758197653 /nfs/dbraw/zinc/19/76/53/758197653.db2.gz DJOCCBZZWRXQBI-OKILXGFUSA-N 1 1 334.420 0.237 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cn(C)nn4)C[C@@H]3C2)cn1 ZINC001049177733 758232513 /nfs/dbraw/zinc/23/25/13/758232513.db2.gz LFBOZDUXJPTNLG-GASCZTMLSA-N 1 1 336.399 0.395 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cn(C)nn4)C[C@@H]3C2)cn1 ZINC001049177733 758232520 /nfs/dbraw/zinc/23/25/20/758232520.db2.gz LFBOZDUXJPTNLG-GASCZTMLSA-N 1 1 336.399 0.395 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001049180634 758240356 /nfs/dbraw/zinc/24/03/56/758240356.db2.gz NESYEXMVNDSOOL-ILXRZTDVSA-N 1 1 337.464 0.713 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](O)C2)nc(C)[nH+]1 ZINC001051658184 762612535 /nfs/dbraw/zinc/61/25/35/762612535.db2.gz NDNMCBPXKVAGTH-DZGCQCFKSA-N 1 1 340.387 0.663 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)COCC=C)CCC[C@@H]12 ZINC001107330728 758271208 /nfs/dbraw/zinc/27/12/08/758271208.db2.gz LEGWDGGEGRDUQG-CRAIPNDOSA-N 1 1 335.448 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nn(C)cc1C ZINC001077124321 758282535 /nfs/dbraw/zinc/28/25/35/758282535.db2.gz RSZDZMZINBZZOL-GJZGRUSLSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nn(C)cc1C ZINC001077124321 758282545 /nfs/dbraw/zinc/28/25/45/758282545.db2.gz RSZDZMZINBZZOL-GJZGRUSLSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cncn1C ZINC001077124654 758286726 /nfs/dbraw/zinc/28/67/26/758286726.db2.gz AXZDBRVGKQMEPO-KBPBESRZSA-N 1 1 331.420 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cncn1C ZINC001077124654 758286735 /nfs/dbraw/zinc/28/67/35/758286735.db2.gz AXZDBRVGKQMEPO-KBPBESRZSA-N 1 1 331.420 0.142 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001049207007 758306545 /nfs/dbraw/zinc/30/65/45/758306545.db2.gz PEZMQVMWQKMNLP-GRYCIOLGSA-N 1 1 340.811 0.117 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@H]2C1 ZINC001049222962 758373015 /nfs/dbraw/zinc/37/30/15/758373015.db2.gz BWYMBYKJSOMGMJ-ZNMIVQPWSA-N 1 1 341.839 0.376 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCO3)CCC[C@@H]12 ZINC001107359972 758388891 /nfs/dbraw/zinc/38/88/91/758388891.db2.gz SREZTVRYDAJBFB-FRQCXROJSA-N 1 1 347.459 0.666 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3COC(=O)C3)CCC[C@@H]12 ZINC001107360396 758390184 /nfs/dbraw/zinc/39/01/84/758390184.db2.gz JVVGNZWBSGOBKI-FRQCXROJSA-N 1 1 348.443 0.950 20 30 ECEDMO CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107374512 758400587 /nfs/dbraw/zinc/40/05/87/758400587.db2.gz VAXZAWTYIHPFTA-CRAIPNDOSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]3C2)CC1 ZINC001049235069 758403247 /nfs/dbraw/zinc/40/32/47/758403247.db2.gz KSRAUHSTFANAMI-QRQLOZEOSA-N 1 1 345.487 0.758 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]3C2)CC1 ZINC001049235069 758403253 /nfs/dbraw/zinc/40/32/53/758403253.db2.gz KSRAUHSTFANAMI-QRQLOZEOSA-N 1 1 345.487 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H](C)c2csnn2)C1 ZINC001022220724 758441100 /nfs/dbraw/zinc/44/11/00/758441100.db2.gz LRWSXLWXXJQGDH-CXTNEJHOSA-N 1 1 333.461 0.934 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H](C)c2csnn2)C1 ZINC001022220724 758441106 /nfs/dbraw/zinc/44/11/06/758441106.db2.gz LRWSXLWXXJQGDH-CXTNEJHOSA-N 1 1 333.461 0.934 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1O ZINC001049275779 758466450 /nfs/dbraw/zinc/46/64/50/758466450.db2.gz NJWMSMUIJJHHMA-JYJNAYRXSA-N 1 1 339.480 0.961 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCS(=O)(=O)NC)CCC[C@@H]12 ZINC001107401787 758500194 /nfs/dbraw/zinc/50/01/94/758500194.db2.gz CLCBYCGFABUCAP-GDBMZVCRSA-N 1 1 343.493 0.863 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001077210965 758523212 /nfs/dbraw/zinc/52/32/12/758523212.db2.gz ZMOHOTSCNOGERM-CGTJXYLNSA-N 1 1 327.428 0.698 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 ZINC001107413895 758527040 /nfs/dbraw/zinc/52/70/40/758527040.db2.gz YPMZOFICXMJGDE-CXAGYDPISA-N 1 1 346.435 0.314 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001049361219 758566596 /nfs/dbraw/zinc/56/65/96/758566596.db2.gz SLJKBWAXRSWGCO-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3CC(OC)C3)CCC[C@@H]12 ZINC001107444690 758580325 /nfs/dbraw/zinc/58/03/25/758580325.db2.gz WASVWMSPRBKTTE-YBSITQRDSA-N 1 1 347.459 0.522 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001077254190 758603814 /nfs/dbraw/zinc/60/38/14/758603814.db2.gz OZGYCWZGZKOMHL-DGCLKSJQSA-N 1 1 331.376 0.089 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001077254190 758603820 /nfs/dbraw/zinc/60/38/20/758603820.db2.gz OZGYCWZGZKOMHL-DGCLKSJQSA-N 1 1 331.376 0.089 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCS(=O)(=O)C3)CCC[C@@H]12 ZINC001107465189 758621733 /nfs/dbraw/zinc/62/17/33/758621733.db2.gz PQOKNPGVVHDTPD-BFYDXBDKSA-N 1 1 338.473 0.805 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCS(=O)(=O)C3)CCC[C@@H]12 ZINC001107465189 758621738 /nfs/dbraw/zinc/62/17/38/758621738.db2.gz PQOKNPGVVHDTPD-BFYDXBDKSA-N 1 1 338.473 0.805 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)C1 ZINC001107465521 758622620 /nfs/dbraw/zinc/62/26/20/758622620.db2.gz DMTYYQPSPRGLJV-JZIMQPMSSA-N 1 1 344.419 0.542 20 30 ECEDMO Cc1cc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](O)C2)nc(C)[nH+]1 ZINC001051668820 762645019 /nfs/dbraw/zinc/64/50/19/762645019.db2.gz HROXTQRIAXZQNP-UKRRQHHQSA-N 1 1 340.387 0.663 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ncc[nH]2)C1=O ZINC001049459779 758746772 /nfs/dbraw/zinc/74/67/72/758746772.db2.gz KVOYMPRJRNITPW-ZNMIVQPWSA-N 1 1 343.431 0.876 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3[nH]nnc3C)CCC[C@@H]12 ZINC001107494351 758747579 /nfs/dbraw/zinc/74/75/79/758747579.db2.gz BGOWTBCGESBDOQ-CXAGYDPISA-N 1 1 346.435 0.390 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)CC2(CCOCC2)C1 ZINC001099565957 758772928 /nfs/dbraw/zinc/77/29/28/758772928.db2.gz KVSUJZXKWLYJKZ-AWEZNQCLSA-N 1 1 339.436 0.906 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001049483304 758794275 /nfs/dbraw/zinc/79/42/75/758794275.db2.gz VAGSLCCVDYESMA-CHWSQXEVSA-N 1 1 332.408 0.018 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001049506383 758820747 /nfs/dbraw/zinc/82/07/47/758820747.db2.gz XEBOWJHHBYEHSA-BZUAXINKSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049506947 758821571 /nfs/dbraw/zinc/82/15/71/758821571.db2.gz CMAYIMYZKYHSSE-ZIAGYGMSSA-N 1 1 327.450 0.273 20 30 ECEDMO CN(C(=O)CC[NH+]1CCOCC1)C1CC(Nc2cncc(C#N)n2)C1 ZINC001126972076 758823005 /nfs/dbraw/zinc/82/30/05/758823005.db2.gz IKSCIRFZIXAEBF-UHFFFAOYSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(-c2cccnc2)nn1 ZINC001049509463 758829020 /nfs/dbraw/zinc/82/90/20/758829020.db2.gz UZFAJQFCQAENMF-DLBZAZTESA-N 1 1 336.399 0.974 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](Cn1cccn1)N(C)C ZINC001049517309 758842483 /nfs/dbraw/zinc/84/24/83/758842483.db2.gz IKLIRQQRSIKXNL-RCCFBDPRSA-N 1 1 343.475 0.902 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521212 758852546 /nfs/dbraw/zinc/85/25/46/758852546.db2.gz GYUVDTIUTPGYEN-ZIAGYGMSSA-N 1 1 341.839 0.663 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521212 758852556 /nfs/dbraw/zinc/85/25/56/758852556.db2.gz GYUVDTIUTPGYEN-ZIAGYGMSSA-N 1 1 341.839 0.663 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O ZINC001049561225 758925116 /nfs/dbraw/zinc/92/51/16/758925116.db2.gz ITDJLYSNOWCCLT-CABCVRRESA-N 1 1 333.436 0.613 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCS(=O)(=O)C3)CCC[C@@H]12 ZINC000991679331 762671421 /nfs/dbraw/zinc/67/14/21/762671421.db2.gz KWRATXOOJCTCHV-ZMSDIMECSA-N 1 1 338.473 0.948 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049606559 758985170 /nfs/dbraw/zinc/98/51/70/758985170.db2.gz CHDFRFGWCPONMO-JYJNAYRXSA-N 1 1 341.415 0.454 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049614969 758996489 /nfs/dbraw/zinc/99/64/89/758996489.db2.gz GZBMXHKVIOGNHH-LUKYLMHMSA-N 1 1 335.448 0.874 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001049621754 759004467 /nfs/dbraw/zinc/00/44/67/759004467.db2.gz SANLYIYVUCSFNS-CABCVRRESA-N 1 1 344.415 0.827 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001077420440 759040691 /nfs/dbraw/zinc/04/06/91/759040691.db2.gz CKELUYYVLNEHRA-CHWSQXEVSA-N 1 1 333.388 0.307 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049722655 759133765 /nfs/dbraw/zinc/13/37/65/759133765.db2.gz KTOYLGPBOWGAER-LUKYLMHMSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)c(C(N)=O)cn1 ZINC001049732131 759145026 /nfs/dbraw/zinc/14/50/26/759145026.db2.gz KLLHUFRISFVUCO-JKSUJKDBSA-N 1 1 326.400 0.801 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3nc(C)no3)C2)nn1 ZINC001022823627 759145995 /nfs/dbraw/zinc/14/59/95/759145995.db2.gz HXTSCBCIUOCHLZ-JLLWLGSASA-N 1 1 331.380 0.767 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001049739635 759152560 /nfs/dbraw/zinc/15/25/60/759152560.db2.gz QGAPBXZJOJABJX-RRFJBIMHSA-N 1 1 330.436 0.877 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncn2nccc2c1=O ZINC001049768631 759183157 /nfs/dbraw/zinc/18/31/57/759183157.db2.gz KWVGXCMUHIOHTQ-ZIAGYGMSSA-N 1 1 342.403 0.142 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001049782035 759198803 /nfs/dbraw/zinc/19/88/03/759198803.db2.gz NOMLLVPCLUTPRX-RBSFLKMASA-N 1 1 339.461 0.109 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@@H](O)C1 ZINC001083595001 759203419 /nfs/dbraw/zinc/20/34/19/759203419.db2.gz DKSPUSCWVDTXMT-ZBFHGGJFSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049810316 759242237 /nfs/dbraw/zinc/24/22/37/759242237.db2.gz DHHZEUUQAZMUHG-KBPBESRZSA-N 1 1 332.404 0.990 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c(C)cc(C)nc1=O ZINC001049817341 759250159 /nfs/dbraw/zinc/25/01/59/759250159.db2.gz XYDPYQCETZMVIZ-DLBZAZTESA-N 1 1 342.443 0.949 20 30 ECEDMO C#CCCOc1ccc(C(=O)NCC[NH2+]Cc2cnn(C)n2)cc1 ZINC001127008290 759254715 /nfs/dbraw/zinc/25/47/15/759254715.db2.gz FZLDJJGBCYKYEZ-UHFFFAOYSA-N 1 1 327.388 0.737 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049827109 759261615 /nfs/dbraw/zinc/26/16/15/759261615.db2.gz UQXOURBXXRAGHD-CHWSQXEVSA-N 1 1 332.404 0.015 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccn2c(=O)[nH]nc12 ZINC001049839997 759279616 /nfs/dbraw/zinc/27/96/16/759279616.db2.gz LILHZUULYPISEH-ZIAGYGMSSA-N 1 1 325.372 0.747 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049850983 759300770 /nfs/dbraw/zinc/30/07/70/759300770.db2.gz VLHCWKWXATXKCE-KGLIPLIRSA-N 1 1 340.387 0.120 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001049854380 759305416 /nfs/dbraw/zinc/30/54/16/759305416.db2.gz KVUGUWIAUCMWSM-GJZGRUSLSA-N 1 1 342.399 0.258 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001049854380 759305425 /nfs/dbraw/zinc/30/54/25/759305425.db2.gz KVUGUWIAUCMWSM-GJZGRUSLSA-N 1 1 342.399 0.258 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O ZINC001049869057 759321234 /nfs/dbraw/zinc/32/12/34/759321234.db2.gz BOFUKFIQCVZNKU-CVEARBPZSA-N 1 1 347.463 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001049871623 759325757 /nfs/dbraw/zinc/32/57/57/759325757.db2.gz RJWSTCQDLGIURK-BRWVUGGUSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O ZINC001049887393 759350875 /nfs/dbraw/zinc/35/08/75/759350875.db2.gz WNXGPAWFTNWVBI-KBPBESRZSA-N 1 1 334.420 0.522 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049887444 759351210 /nfs/dbraw/zinc/35/12/10/759351210.db2.gz ZXABRUAWPLBYJZ-ZIAGYGMSSA-N 1 1 330.388 0.188 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047635642 759363547 /nfs/dbraw/zinc/36/35/47/759363547.db2.gz IOGJCQLXIWXEHB-IKGGRYGDSA-N 1 1 349.475 0.552 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047635642 759363559 /nfs/dbraw/zinc/36/35/59/759363559.db2.gz IOGJCQLXIWXEHB-IKGGRYGDSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001047638658 759376528 /nfs/dbraw/zinc/37/65/28/759376528.db2.gz DDJPCFVHKXZVJH-KBPBESRZSA-N 1 1 337.445 0.053 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1COCCN1C(C)=O ZINC001049905310 759388598 /nfs/dbraw/zinc/38/85/98/759388598.db2.gz WQANQJYZSGBXHL-ZACQAIPSSA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(N)=O)n2)C1 ZINC001047643799 759390259 /nfs/dbraw/zinc/39/02/59/759390259.db2.gz SYULNQJIYUCKDS-GJZGRUSLSA-N 1 1 332.404 0.264 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nncn2C1 ZINC001049920247 759404670 /nfs/dbraw/zinc/40/46/70/759404670.db2.gz RASNKULIZIAWLT-HRCADAONSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(C)=O)CC2(CCOCC2)C1 ZINC000991132716 759407868 /nfs/dbraw/zinc/40/78/68/759407868.db2.gz XBCJWRLPKCFCCA-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(C)=O)CC2(CCOCC2)C1 ZINC000991132716 759407872 /nfs/dbraw/zinc/40/78/72/759407872.db2.gz XBCJWRLPKCFCCA-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001047649297 759408552 /nfs/dbraw/zinc/40/85/52/759408552.db2.gz ZDXXFMKPDSWKMP-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001047649297 759408558 /nfs/dbraw/zinc/40/85/58/759408558.db2.gz ZDXXFMKPDSWKMP-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccnc1C(N)=O)C2 ZINC001054242048 767857282 /nfs/dbraw/zinc/85/72/82/767857282.db2.gz DODCMPAKEXWYMI-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001054242932 767858128 /nfs/dbraw/zinc/85/81/28/767858128.db2.gz UCMAILRJEHVQLD-AEFFLSMTSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001054243273 767858505 /nfs/dbraw/zinc/85/85/05/767858505.db2.gz DEQZCYWYPKLVRH-WBVHZDCISA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1nnc(-c2occc2C)o1 ZINC001127023891 759514993 /nfs/dbraw/zinc/51/49/93/759514993.db2.gz UHVCOEAZOPESSR-UHFFFAOYSA-N 1 1 332.360 0.884 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001054249758 767867503 /nfs/dbraw/zinc/86/75/03/767867503.db2.gz CWEOJKQCZPBUIW-KDOFPFPSSA-N 1 1 331.416 0.377 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC001050024802 759564305 /nfs/dbraw/zinc/56/43/05/759564305.db2.gz LEIHRUKTVAICPO-APHBMKBZSA-N 1 1 341.415 0.653 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001050061810 759637112 /nfs/dbraw/zinc/63/71/12/759637112.db2.gz SEFGPQUDRXFJET-YESZJQIVSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@@H](C)C[NH+]2CCN(CC)CC2)C1=O ZINC000348435123 759648533 /nfs/dbraw/zinc/64/85/33/759648533.db2.gz WLLHSQSZQKZOPC-LSDHHAIUSA-N 1 1 338.452 0.383 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050099249 759700540 /nfs/dbraw/zinc/70/05/40/759700540.db2.gz XXFBRTRXMMQISV-KGLIPLIRSA-N 1 1 340.493 0.938 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050099250 759700642 /nfs/dbraw/zinc/70/06/42/759700642.db2.gz XXFBRTRXMMQISV-UONOGXRCSA-N 1 1 340.493 0.938 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cnco4)[C@@H]3C2)C1=O ZINC001050107385 759718238 /nfs/dbraw/zinc/71/82/38/759718238.db2.gz DMIKNYCTEZSLNO-SOUVJXGZSA-N 1 1 344.415 0.998 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050152889 759811633 /nfs/dbraw/zinc/81/16/33/759811633.db2.gz JCGRMHNRJBQDNC-RRFJBIMHSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050152889 759811643 /nfs/dbraw/zinc/81/16/43/759811643.db2.gz JCGRMHNRJBQDNC-RRFJBIMHSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001050179213 759877980 /nfs/dbraw/zinc/87/79/80/759877980.db2.gz HYILUIBJSWZQHY-OFQRWUPVSA-N 1 1 331.420 0.962 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001050181075 759885078 /nfs/dbraw/zinc/88/50/78/759885078.db2.gz LSXXUKYDPSVPNU-LSDHHAIUSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@@H]2C1 ZINC001050183126 759887880 /nfs/dbraw/zinc/88/78/80/759887880.db2.gz PXSBZEQBJRTAJR-WDEREUQCSA-N 1 1 332.360 0.066 20 30 ECEDMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)[nH]1 ZINC000995632051 759892292 /nfs/dbraw/zinc/89/22/92/759892292.db2.gz FYCULJKWAONTTA-CYBMUJFWSA-N 1 1 327.392 0.953 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)nc1 ZINC001050183917 759893074 /nfs/dbraw/zinc/89/30/74/759893074.db2.gz BVOZRVHMXJMEIY-JLJPHGGASA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)nc1 ZINC001050183917 759893082 /nfs/dbraw/zinc/89/30/82/759893082.db2.gz BVOZRVHMXJMEIY-JLJPHGGASA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)cn1 ZINC001050186747 759900322 /nfs/dbraw/zinc/90/03/22/759900322.db2.gz VBMKHZHNBOKEGC-JLJPHGGASA-N 1 1 340.427 0.734 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 ZINC001050194454 759913162 /nfs/dbraw/zinc/91/31/62/759913162.db2.gz BNXPEHWKIFKDMG-UONOGXRCSA-N 1 1 348.447 0.816 20 30 ECEDMO Cc1nnc(C[NH2+][C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)[nH]1 ZINC000995681812 760038779 /nfs/dbraw/zinc/03/87/79/760038779.db2.gz SIGSZJTVMXWYCY-ZDUSSCGKSA-N 1 1 327.392 0.953 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C ZINC001050319626 760117602 /nfs/dbraw/zinc/11/76/02/760117602.db2.gz RWNPEOJGIXMRKM-RISCZKNCSA-N 1 1 325.376 0.637 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1c1cncc(C#N)n1 ZINC001050455369 760291452 /nfs/dbraw/zinc/29/14/52/760291452.db2.gz XMQKYGPTWYFPPE-IPYPFGDCSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNc1ccnc(C#N)n1 ZINC001060223234 760372571 /nfs/dbraw/zinc/37/25/71/760372571.db2.gz PZXGPYHFIBENAT-ZIAGYGMSSA-N 1 1 328.420 0.657 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1ncnn1-c1ccccc1 ZINC001127046475 760445179 /nfs/dbraw/zinc/44/51/79/760445179.db2.gz SHYJIFLAGKLXIO-AWEZNQCLSA-N 1 1 327.388 0.511 20 30 ECEDMO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C ZINC000995708936 760473408 /nfs/dbraw/zinc/47/34/08/760473408.db2.gz RNPPIQZYQVAOOE-CYBMUJFWSA-N 1 1 327.392 0.655 20 30 ECEDMO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C ZINC000995709525 760475370 /nfs/dbraw/zinc/47/53/70/760475370.db2.gz SXRILHIQVMWESD-CYBMUJFWSA-N 1 1 327.392 0.655 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cccn2C)C1=O ZINC001032285728 760515763 /nfs/dbraw/zinc/51/57/63/760515763.db2.gz OQHNSJBNOPHSRA-OFQRWUPVSA-N 1 1 328.416 0.711 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cccn2C)C1=O ZINC001032285728 760515771 /nfs/dbraw/zinc/51/57/71/760515771.db2.gz OQHNSJBNOPHSRA-OFQRWUPVSA-N 1 1 328.416 0.711 20 30 ECEDMO C[C@H](F)CC[NH+]1CC(n2cc(CNC(=O)CSCC#N)nn2)C1 ZINC001107129987 760522768 /nfs/dbraw/zinc/52/27/68/760522768.db2.gz ZCMPLZNQZJYIAL-NSHDSACASA-N 1 1 340.428 0.756 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNc1ccncc1C#N ZINC001054410413 767963620 /nfs/dbraw/zinc/96/36/20/767963620.db2.gz UXZZBUWXTTUWHT-IIAWOOMASA-N 1 1 327.432 0.833 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1O ZINC001048514639 760643348 /nfs/dbraw/zinc/64/33/48/760643348.db2.gz GWBIUJNJNGUHEZ-VGWMRTNUSA-N 1 1 337.464 0.713 20 30 ECEDMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C2 ZINC001048514794 760644401 /nfs/dbraw/zinc/64/44/01/760644401.db2.gz MSIUKCLFXKUVCK-MHDGFBEUSA-N 1 1 329.404 0.733 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)[nH]1 ZINC001048516002 760646470 /nfs/dbraw/zinc/64/64/70/760646470.db2.gz CCFRLMOYJYHICD-AEIGPULVSA-N 1 1 341.415 0.748 20 30 ECEDMO C#CCCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001048557352 760712955 /nfs/dbraw/zinc/71/29/55/760712955.db2.gz BQQNPCGASKVCSN-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001048558841 760716943 /nfs/dbraw/zinc/71/69/43/760716943.db2.gz YQUSRTYPJBDYFV-ILXRZTDVSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)nn1 ZINC001048570487 760730389 /nfs/dbraw/zinc/73/03/89/760730389.db2.gz PZLGEAJLOHDPRT-BTTYYORXSA-N 1 1 346.435 0.312 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCS(=O)(=O)C1)C2 ZINC001048572044 760736633 /nfs/dbraw/zinc/73/66/33/760736633.db2.gz WJUDKENPDUHJFF-LVQVYYBASA-N 1 1 338.473 0.804 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001050734771 760753417 /nfs/dbraw/zinc/75/34/17/760753417.db2.gz CLPJQHNMZXIKJJ-ZBFHGGJFSA-N 1 1 346.431 0.585 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)cn1 ZINC001048583467 760753430 /nfs/dbraw/zinc/75/34/30/760753430.db2.gz AKSFIDKQXPSFDK-AYGBPOKTSA-N 1 1 340.427 0.782 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([C@H](C)NC(=O)C#CC2CC2)C1 ZINC001050770864 760812241 /nfs/dbraw/zinc/81/22/41/760812241.db2.gz DJKVLSHVVMAGHB-XJKSGUPXSA-N 1 1 328.416 0.958 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC2CCC2)[C@@H](O)C1 ZINC001083670657 760912285 /nfs/dbraw/zinc/91/22/85/760912285.db2.gz IFFFYNLJYJHPNU-ZACQAIPSSA-N 1 1 337.464 0.225 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 ZINC001048691168 760945157 /nfs/dbraw/zinc/94/51/57/760945157.db2.gz ZOAUQZSAJHFPMD-FGTMMUONSA-N 1 1 341.411 0.864 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC4N=NC(=O)N4C3)CCC[C@@H]12 ZINC000991444811 760972953 /nfs/dbraw/zinc/97/29/53/760972953.db2.gz GILHMXQDFFEZTG-OGHNNQOOSA-N 1 1 331.420 0.845 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCCOC4)C[C@H]3C2)C1=O ZINC001048719211 761020862 /nfs/dbraw/zinc/02/08/62/761020862.db2.gz CRCLOOIKFWTPSO-NXOAAHMSSA-N 1 1 347.459 0.590 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CCc3nnn(C(C)(C)C)n3)C[C@@H]2C1 ZINC001048724969 761047888 /nfs/dbraw/zinc/04/78/88/761047888.db2.gz LTROULDAOPUUDS-MCIONIFRSA-N 1 1 345.451 0.520 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048749705 761107132 /nfs/dbraw/zinc/10/71/32/761107132.db2.gz LEOQDAYHPFBJEF-FPMFFAJLSA-N 1 1 341.415 0.557 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001050990197 761284004 /nfs/dbraw/zinc/28/40/04/761284004.db2.gz AAKACTGZQNJDHZ-KGLIPLIRSA-N 1 1 349.435 0.329 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001050990197 761284006 /nfs/dbraw/zinc/28/40/06/761284006.db2.gz AAKACTGZQNJDHZ-KGLIPLIRSA-N 1 1 349.435 0.329 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1c1cnc(C#N)cn1 ZINC001051015870 761340828 /nfs/dbraw/zinc/34/08/28/761340828.db2.gz KGOXZDNPJCZUGN-GUTXKFCHSA-N 1 1 328.420 0.773 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)[nH]1 ZINC000991523862 761362601 /nfs/dbraw/zinc/36/26/01/761362601.db2.gz ICBQDLJDOZPYHK-WFASDCNBSA-N 1 1 341.415 0.701 20 30 ECEDMO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054568452 768044206 /nfs/dbraw/zinc/04/42/06/768044206.db2.gz FBUBRIRTMOZPCP-IINYFYTJSA-N 1 1 340.391 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)ncn2)[C@@H]1C ZINC001051196721 761667639 /nfs/dbraw/zinc/66/76/39/761667639.db2.gz NAUFDTKLUJLGJW-PMPSAXMXSA-N 1 1 327.432 0.966 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)ncn2)[C@@H]1C ZINC001051196721 761667642 /nfs/dbraw/zinc/66/76/42/761667642.db2.gz NAUFDTKLUJLGJW-PMPSAXMXSA-N 1 1 327.432 0.966 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2COCCN2Cc2ccccc2C#N)C1 ZINC001051242617 761747120 /nfs/dbraw/zinc/74/71/20/761747120.db2.gz VGZMJKOFKYTCAQ-MSOLQXFVSA-N 1 1 342.443 0.827 20 30 ECEDMO C=C(C)CCN1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001051249463 761762011 /nfs/dbraw/zinc/76/20/11/761762011.db2.gz FVTCRNQMXFLBBI-HZPDHXFCSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(C)CCN1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001051249463 761762012 /nfs/dbraw/zinc/76/20/12/761762012.db2.gz FVTCRNQMXFLBBI-HZPDHXFCSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001051255869 761776194 /nfs/dbraw/zinc/77/61/94/761776194.db2.gz UIVVDSYMDRKQHJ-UONOGXRCSA-N 1 1 331.844 0.277 20 30 ECEDMO C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001051255869 761776203 /nfs/dbraw/zinc/77/62/03/761776203.db2.gz UIVVDSYMDRKQHJ-UONOGXRCSA-N 1 1 331.844 0.277 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNc2cccc(F)c2C#N)C1 ZINC001105914316 762714963 /nfs/dbraw/zinc/71/49/63/762714963.db2.gz UAXKTERLIUYJSN-STQMWFEESA-N 1 1 334.395 0.928 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)nnc3C)C2)C1=O ZINC001014563644 762834338 /nfs/dbraw/zinc/83/43/38/762834338.db2.gz YKXSOFLOWACTHZ-HOCLYGCPSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nnc3C)C2)C1=O ZINC001014563644 762834344 /nfs/dbraw/zinc/83/43/44/762834344.db2.gz YKXSOFLOWACTHZ-HOCLYGCPSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C)nnc3C)C2)C1=O ZINC001014563645 762834471 /nfs/dbraw/zinc/83/44/71/762834471.db2.gz YKXSOFLOWACTHZ-ZBFHGGJFSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C)nnc3C)C2)C1=O ZINC001014563645 762834480 /nfs/dbraw/zinc/83/44/80/762834480.db2.gz YKXSOFLOWACTHZ-ZBFHGGJFSA-N 1 1 343.431 0.684 20 30 ECEDMO O=C(C[C@H]1CCNC1=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014709584 763023233 /nfs/dbraw/zinc/02/32/33/763023233.db2.gz BRMGBKZWRZXUQY-IAGOWNOFSA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(C[C@H]1CCNC1=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014709584 763023240 /nfs/dbraw/zinc/02/32/40/763023240.db2.gz BRMGBKZWRZXUQY-IAGOWNOFSA-N 1 1 325.412 0.755 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCCNC3=O)C2)nc1 ZINC001046781590 763116366 /nfs/dbraw/zinc/11/63/66/763116366.db2.gz KAZZVUSUSIXQEB-YJBOKZPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCCNC3=O)C2)nc1 ZINC001046781590 763116371 /nfs/dbraw/zinc/11/63/71/763116371.db2.gz KAZZVUSUSIXQEB-YJBOKZPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)cn1 ZINC001089842059 763131150 /nfs/dbraw/zinc/13/11/50/763131150.db2.gz ICGHPMNICWADME-HWMZRRJGSA-N 1 1 340.427 0.586 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001105972840 763135448 /nfs/dbraw/zinc/13/54/48/763135448.db2.gz QPINPRAWHTWNEZ-KBPBESRZSA-N 1 1 332.408 0.110 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnccc3C)C2)C1=O ZINC001014776875 763135725 /nfs/dbraw/zinc/13/57/25/763135725.db2.gz REZFNARSJWRPLG-DLBZAZTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cnccc3C)C2)C1=O ZINC001014776875 763135733 /nfs/dbraw/zinc/13/57/33/763135733.db2.gz REZFNARSJWRPLG-DLBZAZTESA-N 1 1 342.443 0.910 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)cc1 ZINC001089852409 763175134 /nfs/dbraw/zinc/17/51/34/763175134.db2.gz FECKABQZWTVYCI-YVSFHVDLSA-N 1 1 338.411 0.712 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001046830103 763188159 /nfs/dbraw/zinc/18/81/59/763188159.db2.gz PEGKMZDOSKMRCZ-IHRRRGAJSA-N 1 1 328.420 0.915 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)s1 ZINC001014811564 763213444 /nfs/dbraw/zinc/21/34/44/763213444.db2.gz MSAIQHZJRICUBQ-BXUZGUMPSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)s1 ZINC001014811564 763213450 /nfs/dbraw/zinc/21/34/50/763213450.db2.gz MSAIQHZJRICUBQ-BXUZGUMPSA-N 1 1 332.429 0.836 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN(Cc3n[nH]c(C)n3)C2)CC1 ZINC001046850624 763231446 /nfs/dbraw/zinc/23/14/46/763231446.db2.gz YQVWDHXAGJGQLI-SFHVURJKSA-N 1 1 344.463 0.539 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(=O)cn1 ZINC001089856819 763246806 /nfs/dbraw/zinc/24/68/06/763246806.db2.gz VRNXAMBYEPZHSZ-FQLMCAECSA-N 1 1 326.400 0.576 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1=O ZINC001030439013 763298362 /nfs/dbraw/zinc/29/83/62/763298362.db2.gz ODOYCNLQQBPEKE-LSDHHAIUSA-N 1 1 343.431 0.348 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(CCC)n[nH]3)C2)C1=O ZINC001031889406 763321354 /nfs/dbraw/zinc/32/13/54/763321354.db2.gz ZYLYFXJFGAVKIS-INIZCTEOSA-N 1 1 345.447 0.811 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(CCC)n[nH]3)C2)C1=O ZINC001031889407 763321387 /nfs/dbraw/zinc/32/13/87/763321387.db2.gz ZYLYFXJFGAVKIS-MRXNPFEDSA-N 1 1 345.447 0.811 20 30 ECEDMO CN(CCOCCNc1ccncc1C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001127319766 768130719 /nfs/dbraw/zinc/13/07/19/768130719.db2.gz BRLHBRGZUHRBPO-CQSZACIVSA-N 1 1 331.420 0.214 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N3CCCC3)C2)cc1 ZINC001031891782 763342894 /nfs/dbraw/zinc/34/28/94/763342894.db2.gz AFPVUUORNDRBGV-UHFFFAOYSA-N 1 1 325.412 0.952 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001106921689 763347414 /nfs/dbraw/zinc/34/74/14/763347414.db2.gz REYBUHDRKFBQIO-CQSZACIVSA-N 1 1 346.435 0.140 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001106921689 763347423 /nfs/dbraw/zinc/34/74/23/763347423.db2.gz REYBUHDRKFBQIO-CQSZACIVSA-N 1 1 346.435 0.140 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001046925220 763396687 /nfs/dbraw/zinc/39/66/87/763396687.db2.gz HLRGJYLBSKCZRM-GFCCVEGCSA-N 1 1 325.363 0.834 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046926498 763398208 /nfs/dbraw/zinc/39/82/08/763398208.db2.gz PTHCCAQOVBHXDU-KGLIPLIRSA-N 1 1 329.391 0.414 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)nc1 ZINC000940547446 763406665 /nfs/dbraw/zinc/40/66/65/763406665.db2.gz HELZAJIKTVUCFF-OAHLLOKOSA-N 1 1 337.383 0.599 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001046930986 763408366 /nfs/dbraw/zinc/40/83/66/763408366.db2.gz NZPCDPPCTZRLIM-KGLIPLIRSA-N 1 1 329.391 0.414 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001046930986 763408369 /nfs/dbraw/zinc/40/83/69/763408369.db2.gz NZPCDPPCTZRLIM-KGLIPLIRSA-N 1 1 329.391 0.414 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001046930744 763408965 /nfs/dbraw/zinc/40/89/65/763408965.db2.gz IGPATVNKKDANSK-KGLIPLIRSA-N 1 1 331.407 0.967 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCC2(F)F)[nH]1 ZINC001046930610 763409243 /nfs/dbraw/zinc/40/92/43/763409243.db2.gz DBYVQYPOSQQYMJ-NSHDSACASA-N 1 1 326.347 0.956 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCO[C@@H](C[NH2+]CC3CCC3)C2)CC1 ZINC001051943706 763409642 /nfs/dbraw/zinc/40/96/42/763409642.db2.gz ODVUCLSTGAKCDD-SFHVURJKSA-N 1 1 333.476 0.949 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001046933252 763412880 /nfs/dbraw/zinc/41/28/80/763412880.db2.gz CCMCZOHKZASNPT-NSHDSACASA-N 1 1 327.331 0.689 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)s1 ZINC001031896202 763414950 /nfs/dbraw/zinc/41/49/50/763414950.db2.gz DOKWFWYRIXLBFV-ZIAGYGMSSA-N 1 1 332.429 0.679 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001046937274 763421144 /nfs/dbraw/zinc/42/11/44/763421144.db2.gz DQEOSRWSLKHUBS-MGPQQGTHSA-N 1 1 341.402 0.998 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001046937274 763421150 /nfs/dbraw/zinc/42/11/50/763421150.db2.gz DQEOSRWSLKHUBS-MGPQQGTHSA-N 1 1 341.402 0.998 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccc(C#N)nc3)C2)C1 ZINC001051948749 763422159 /nfs/dbraw/zinc/42/21/59/763422159.db2.gz ZMEZNFLNESHBMV-QWFMPGPPSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccc(C#N)nc3)C2)C1 ZINC001051948749 763422161 /nfs/dbraw/zinc/42/21/61/763422161.db2.gz ZMEZNFLNESHBMV-QWFMPGPPSA-N 1 1 343.431 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)C(=O)NC2CCCC2)C1 ZINC001030463348 763444903 /nfs/dbraw/zinc/44/49/03/763444903.db2.gz KGDHEALCDTZGAZ-YOEHRIQHSA-N 1 1 346.475 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)C(=O)NC2CCCC2)C1 ZINC001030463348 763444913 /nfs/dbraw/zinc/44/49/13/763444913.db2.gz KGDHEALCDTZGAZ-YOEHRIQHSA-N 1 1 346.475 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nc(COC)no2)C1 ZINC001030463984 763454519 /nfs/dbraw/zinc/45/45/19/763454519.db2.gz CCZDGXGHICELPI-JSGCOSHPSA-N 1 1 347.419 0.175 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nc(COC)no2)C1 ZINC001030463984 763454523 /nfs/dbraw/zinc/45/45/23/763454523.db2.gz CCZDGXGHICELPI-JSGCOSHPSA-N 1 1 347.419 0.175 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001046955392 763457518 /nfs/dbraw/zinc/45/75/18/763457518.db2.gz ZMNBVDKCECWXTB-KGLIPLIRSA-N 1 1 331.407 0.967 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046962398 763471140 /nfs/dbraw/zinc/47/11/40/763471140.db2.gz JLACETVXLVBNFN-NWDGAFQWSA-N 1 1 328.363 0.107 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046962398 763471146 /nfs/dbraw/zinc/47/11/46/763471146.db2.gz JLACETVXLVBNFN-NWDGAFQWSA-N 1 1 328.363 0.107 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001105994950 763480011 /nfs/dbraw/zinc/48/00/11/763480011.db2.gz KRQVIZWMNRJEQT-CABCVRRESA-N 1 1 346.435 0.500 20 30 ECEDMO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001105995038 763480906 /nfs/dbraw/zinc/48/09/06/763480906.db2.gz LCJOUAFWMDWLKT-KGLIPLIRSA-N 1 1 340.387 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001046968483 763485401 /nfs/dbraw/zinc/48/54/01/763485401.db2.gz HSPFJSSKEUUEEZ-RWMBFGLXSA-N 1 1 327.375 0.417 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001046968483 763485406 /nfs/dbraw/zinc/48/54/06/763485406.db2.gz HSPFJSSKEUUEEZ-RWMBFGLXSA-N 1 1 327.375 0.417 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001105996063 763489106 /nfs/dbraw/zinc/48/91/06/763489106.db2.gz ZVUNPSPOABYNMB-KBPBESRZSA-N 1 1 346.435 0.500 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCS(C)(=O)=O)C1 ZINC001099498046 763496981 /nfs/dbraw/zinc/49/69/81/763496981.db2.gz SFEFOOMBUBBGNY-VGWMRTNUSA-N 1 1 338.473 0.613 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046981482 763503460 /nfs/dbraw/zinc/50/34/60/763503460.db2.gz DIHWNWQEVVIADY-LBPRGKRZSA-N 1 1 348.357 0.835 20 30 ECEDMO C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001046996758 763538211 /nfs/dbraw/zinc/53/82/11/763538211.db2.gz RIERDCVADUDILH-SNVBAGLBSA-N 1 1 339.346 0.449 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001046996758 763538216 /nfs/dbraw/zinc/53/82/16/763538216.db2.gz RIERDCVADUDILH-SNVBAGLBSA-N 1 1 339.346 0.449 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](N2CC[NH+](CCn3cccn3)CC2)C1 ZINC001051997674 763548704 /nfs/dbraw/zinc/54/87/04/763548704.db2.gz FQQZLNGDWUVWPY-HZPDHXFCSA-N 1 1 330.436 0.261 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3nc[nH]n3)C2)CC1 ZINC001052007137 763572463 /nfs/dbraw/zinc/57/24/63/763572463.db2.gz WNHXFOAZBHQTRS-MRXNPFEDSA-N 1 1 346.479 0.922 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)ncn3)C2)CC1 ZINC001052016524 763591957 /nfs/dbraw/zinc/59/19/57/763591957.db2.gz XGGPEOJQSYGEHR-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnn3CC)C2)CC1 ZINC001052017810 763594411 /nfs/dbraw/zinc/59/44/11/763594411.db2.gz VSBDBQNLSPUHRU-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)C1 ZINC001106004451 763598084 /nfs/dbraw/zinc/59/80/84/763598084.db2.gz SBUCWUCMNKOJBD-HOTGVXAUSA-N 1 1 345.447 0.820 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N2CCC2)C3)[nH]1 ZINC001047053698 763598564 /nfs/dbraw/zinc/59/85/64/763598564.db2.gz HSUIELXNMHRBJV-CFVMTHIKSA-N 1 1 341.415 0.701 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)C1 ZINC001106003906 763609444 /nfs/dbraw/zinc/60/94/44/763609444.db2.gz KAAUCURPAVRNSI-HZPDHXFCSA-N 1 1 345.447 0.820 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccn(C)n3)C2)CC1 ZINC001052024447 763613259 /nfs/dbraw/zinc/61/32/59/763613259.db2.gz COVQOTIAUVDLBA-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001052025432 763615507 /nfs/dbraw/zinc/61/55/07/763615507.db2.gz DIDAOYHXCSENED-QZTJIDSGSA-N 1 1 332.492 0.711 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4ccncc34)C2)CC1 ZINC001052035355 763641597 /nfs/dbraw/zinc/64/15/97/763641597.db2.gz AZZVCMTVKJQXOI-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4ccncc34)C2)CC1 ZINC001052035355 763641601 /nfs/dbraw/zinc/64/16/01/763641601.db2.gz AZZVCMTVKJQXOI-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO Cc1nn(C)cc1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052037523 763654897 /nfs/dbraw/zinc/65/48/97/763654897.db2.gz NDJVIVJDJZGSHE-MRXNPFEDSA-N 1 1 330.436 0.013 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)CC1 ZINC001052040780 763664320 /nfs/dbraw/zinc/66/43/20/763664320.db2.gz KKNXIENZUPYLME-KRWDZBQOSA-N 1 1 342.443 0.241 20 30 ECEDMO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)CC1 ZINC001052041400 763666431 /nfs/dbraw/zinc/66/64/31/763666431.db2.gz HBHASEJBQCREHJ-OAHLLOKOSA-N 1 1 331.420 0.590 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)CC1 ZINC001052044945 763681481 /nfs/dbraw/zinc/68/14/81/763681481.db2.gz NYRHISHRKCCEEJ-SJORKVTESA-N 1 1 343.475 0.850 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)CC1 ZINC001052045628 763683370 /nfs/dbraw/zinc/68/33/70/763683370.db2.gz VIVMJXHNQSAZNN-HZPDHXFCSA-N 1 1 342.447 0.188 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C2)CC1 ZINC001052048675 763697851 /nfs/dbraw/zinc/69/78/51/763697851.db2.gz AQFOWXFXSWFWQL-CYBMUJFWSA-N 1 1 332.404 0.397 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)CC1 ZINC001052048888 763698764 /nfs/dbraw/zinc/69/87/64/763698764.db2.gz FLADZCNSCAYAQT-HOTGVXAUSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)CC1 ZINC001052048888 763698772 /nfs/dbraw/zinc/69/87/72/763698772.db2.gz FLADZCNSCAYAQT-HOTGVXAUSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccn4ccnc4c3)C2)CC1 ZINC001052050685 763707431 /nfs/dbraw/zinc/70/74/31/763707431.db2.gz XWLLOEMNVNBYLT-QGZVFWFLSA-N 1 1 337.427 0.800 20 30 ECEDMO NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC001047134052 763707956 /nfs/dbraw/zinc/70/79/56/763707956.db2.gz XKNATSKPHZTKBS-BPUTZDHNSA-N 1 1 329.375 0.632 20 30 ECEDMO CC1(C)CO[C@@H](CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052052739 763717721 /nfs/dbraw/zinc/71/77/21/763717721.db2.gz WFBSTZXLGQSNMC-CVEARBPZSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc(CC)nn3C)C2)CC1 ZINC001052055322 763723538 /nfs/dbraw/zinc/72/35/38/763723538.db2.gz KTUODJVBLNGVJP-QGZVFWFLSA-N 1 1 343.475 0.377 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052056232 763727276 /nfs/dbraw/zinc/72/72/76/763727276.db2.gz UZXKDWRXYAWEOW-QKDSSNGWSA-N 1 1 343.471 0.652 20 30 ECEDMO Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052056190 763727622 /nfs/dbraw/zinc/72/76/22/763727622.db2.gz SOJAWZDGWHETJX-ARFHVFGLSA-N 1 1 342.447 0.266 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)CC1 ZINC001052059240 763736093 /nfs/dbraw/zinc/73/60/93/763736093.db2.gz FABJQTYMVCHVOE-MRXNPFEDSA-N 1 1 345.447 0.552 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001124489420 763748416 /nfs/dbraw/zinc/74/84/16/763748416.db2.gz ZZTHLVGWWATJGH-LBPRGKRZSA-N 1 1 344.433 0.870 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)C1 ZINC001052068441 763762517 /nfs/dbraw/zinc/76/25/17/763762517.db2.gz IYRCAUATKPZJDH-ZWKOTPCHSA-N 1 1 347.507 0.850 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccc(=O)[nH]c3)C2)CC1 ZINC001052070629 763769902 /nfs/dbraw/zinc/76/99/02/763769902.db2.gz KIIKICJTDYSIOG-MRXNPFEDSA-N 1 1 343.431 0.462 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H]1C ZINC001088859400 763826710 /nfs/dbraw/zinc/82/67/10/763826710.db2.gz AWBFVLBMAJALSO-KGLIPLIRSA-N 1 1 330.432 0.739 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nn(CC)c3C)C2)CC1 ZINC001052099299 763857097 /nfs/dbraw/zinc/85/70/97/763857097.db2.gz YIHJBSMKYIQGCQ-QGZVFWFLSA-N 1 1 343.475 0.985 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001052101555 763863746 /nfs/dbraw/zinc/86/37/46/763863746.db2.gz QSHFLPGLRSEDAS-IBGZPJMESA-N 1 1 346.519 0.960 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C(C)C)nn3)C2)CC1 ZINC001052103091 763868426 /nfs/dbraw/zinc/86/84/26/763868426.db2.gz LOWZWLQHESCHHG-MRXNPFEDSA-N 1 1 344.463 0.714 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(OC)n3)C2)CC1 ZINC001052104924 763874542 /nfs/dbraw/zinc/87/45/42/763874542.db2.gz BLTVDQOBXNOWCZ-HNNXBMFYSA-N 1 1 328.416 0.556 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccncc2C#N)C1 ZINC001106344919 768173288 /nfs/dbraw/zinc/17/32/88/768173288.db2.gz SETCKDZPSQNPGI-CZUORRHYSA-N 1 1 331.420 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccncc2C#N)C1 ZINC001106344919 768173291 /nfs/dbraw/zinc/17/32/91/768173291.db2.gz SETCKDZPSQNPGI-CZUORRHYSA-N 1 1 331.420 0.403 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113231 763911064 /nfs/dbraw/zinc/91/10/64/763911064.db2.gz PRVUEMBBKFVVDL-SJORKVTESA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113231 763911068 /nfs/dbraw/zinc/91/10/68/763911068.db2.gz PRVUEMBBKFVVDL-SJORKVTESA-N 1 1 334.464 0.259 20 30 ECEDMO Cc1nc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cs1 ZINC001052114811 763918122 /nfs/dbraw/zinc/91/81/22/763918122.db2.gz PZXVIUSMOJASOI-OAHLLOKOSA-N 1 1 333.461 0.736 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCN3CCCC3=O)C2)CC1 ZINC001052117012 763925111 /nfs/dbraw/zinc/92/51/11/763925111.db2.gz DEBNZQDWWZAPGA-INIZCTEOSA-N 1 1 334.464 0.403 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCN3CCCC3=O)C2)CC1 ZINC001052117012 763925120 /nfs/dbraw/zinc/92/51/20/763925120.db2.gz DEBNZQDWWZAPGA-INIZCTEOSA-N 1 1 334.464 0.403 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C2)CC1 ZINC001052117598 763928036 /nfs/dbraw/zinc/92/80/36/763928036.db2.gz UYMNAROCNXSHKQ-SFHVURJKSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C2)CC1 ZINC001052117598 763928046 /nfs/dbraw/zinc/92/80/46/763928046.db2.gz UYMNAROCNXSHKQ-SFHVURJKSA-N 1 1 348.491 0.649 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1Cc1ccccc1C#N ZINC001088863428 763935214 /nfs/dbraw/zinc/93/52/14/763935214.db2.gz DOPVFXACDBBBBL-FWYOQMDTSA-N 1 1 326.400 0.759 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1Cc1ccccc1C#N ZINC001088863428 763935220 /nfs/dbraw/zinc/93/52/20/763935220.db2.gz DOPVFXACDBBBBL-FWYOQMDTSA-N 1 1 326.400 0.759 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)CC1 ZINC001052120079 763938113 /nfs/dbraw/zinc/93/81/13/763938113.db2.gz XUNXSMNZZUJZPW-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)CC1 ZINC001052120079 763938118 /nfs/dbraw/zinc/93/81/18/763938118.db2.gz XUNXSMNZZUJZPW-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC(Nc3ccc(C#N)nc3)C2)O1 ZINC001052124314 763952956 /nfs/dbraw/zinc/95/29/56/763952956.db2.gz HMIWPDFZANQSBV-PSPNYPNSSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC(Nc3ccc(C#N)nc3)C2)O1 ZINC001052124314 763952963 /nfs/dbraw/zinc/95/29/63/763952963.db2.gz HMIWPDFZANQSBV-PSPNYPNSSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2CC(Nc3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001052124778 763953691 /nfs/dbraw/zinc/95/36/91/763953691.db2.gz VIJKERSBVWXWKI-XZNOPERXSA-N 1 1 328.420 0.995 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001047338001 764046656 /nfs/dbraw/zinc/04/66/56/764046656.db2.gz OXSDHSDFWDGEQR-HOTGVXAUSA-N 1 1 332.404 0.573 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001052215935 764067521 /nfs/dbraw/zinc/06/75/21/764067521.db2.gz UCFCSNOIVYNMHM-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001047354037 764090982 /nfs/dbraw/zinc/09/09/82/764090982.db2.gz SHKWTUDPPFYQLN-ULQDDVLXSA-N 1 1 346.431 0.963 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001047354874 764094317 /nfs/dbraw/zinc/09/43/17/764094317.db2.gz PRYQSAWSSLDIPN-PMPSAXMXSA-N 1 1 332.404 0.573 20 30 ECEDMO Cc1nc(C)c(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001047355038 764095083 /nfs/dbraw/zinc/09/50/83/764095083.db2.gz QZXROMYUIZUQQP-GJZGRUSLSA-N 1 1 343.387 0.809 20 30 ECEDMO Cc1nc(C)c(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001047355038 764095091 /nfs/dbraw/zinc/09/50/91/764095091.db2.gz QZXROMYUIZUQQP-GJZGRUSLSA-N 1 1 343.387 0.809 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001077576564 764144746 /nfs/dbraw/zinc/14/47/46/764144746.db2.gz SUISVROTAYQHAK-CHWSQXEVSA-N 1 1 331.376 0.405 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCOC)nn2)C1 ZINC001047377880 764162038 /nfs/dbraw/zinc/16/20/38/764162038.db2.gz JFTBCWKLWWUNLF-GJZGRUSLSA-N 1 1 337.424 0.008 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001047380564 764169951 /nfs/dbraw/zinc/16/99/51/764169951.db2.gz PDQRXZNMIRFHRT-KBMXLJTQSA-N 1 1 332.375 0.514 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001047380564 764169957 /nfs/dbraw/zinc/16/99/57/764169957.db2.gz PDQRXZNMIRFHRT-KBMXLJTQSA-N 1 1 332.375 0.514 20 30 ECEDMO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001047382081 764175261 /nfs/dbraw/zinc/17/52/61/764175261.db2.gz VWFRLCXRANOFHT-SZMVWBNQSA-N 1 1 333.476 0.778 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001047397234 764210723 /nfs/dbraw/zinc/21/07/23/764210723.db2.gz PDCWQLBNCPWYLB-STQMWFEESA-N 1 1 326.347 0.727 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)cc1 ZINC001032032475 764212371 /nfs/dbraw/zinc/21/23/71/764212371.db2.gz FAZONABMUGYSDU-KRWDZBQOSA-N 1 1 341.411 0.639 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001047398447 764215806 /nfs/dbraw/zinc/21/58/06/764215806.db2.gz OYYKKGPTVAKIIM-PMPSAXMXSA-N 1 1 335.448 0.018 20 30 ECEDMO C=CCOCC(=O)NCC[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC001124765357 764224754 /nfs/dbraw/zinc/22/47/54/764224754.db2.gz UTONFLRETVWDJK-UHFFFAOYSA-N 1 1 329.404 0.891 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2cccc3OC)C1 ZINC001047402874 764230278 /nfs/dbraw/zinc/23/02/78/764230278.db2.gz WXJVQXWMSNGIGK-GJZGRUSLSA-N 1 1 330.388 0.646 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2cccc3OC)C1 ZINC001047402874 764230286 /nfs/dbraw/zinc/23/02/86/764230286.db2.gz WXJVQXWMSNGIGK-GJZGRUSLSA-N 1 1 330.388 0.646 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)c[nH]1 ZINC001052319127 764242122 /nfs/dbraw/zinc/24/21/22/764242122.db2.gz RYZZSRHTOVRJOV-OCCSQVGLSA-N 1 1 343.387 0.276 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001047408759 764254388 /nfs/dbraw/zinc/25/43/88/764254388.db2.gz ADEOUBNIAAFGKQ-GJZGRUSLSA-N 1 1 345.399 0.711 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001047408836 764254756 /nfs/dbraw/zinc/25/47/56/764254756.db2.gz FJMLWRLEKVSCII-GJZGRUSLSA-N 1 1 330.384 0.598 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001047408836 764254765 /nfs/dbraw/zinc/25/47/65/764254765.db2.gz FJMLWRLEKVSCII-GJZGRUSLSA-N 1 1 330.384 0.598 20 30 ECEDMO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047410027 764258934 /nfs/dbraw/zinc/25/89/34/764258934.db2.gz BRRAYJYITBHAGA-PVAVHDDUSA-N 1 1 333.432 0.828 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)c2cn(C)nn2)C1 ZINC000995268132 764267313 /nfs/dbraw/zinc/26/73/13/764267313.db2.gz RMKAVXHPLMPBPB-INIZCTEOSA-N 1 1 338.415 0.808 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001047414350 764269982 /nfs/dbraw/zinc/26/99/82/764269982.db2.gz GHFWTIOFYMMEAM-GJZGRUSLSA-N 1 1 343.383 0.158 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001047414350 764269995 /nfs/dbraw/zinc/26/99/95/764269995.db2.gz GHFWTIOFYMMEAM-GJZGRUSLSA-N 1 1 343.383 0.158 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001047415221 764274152 /nfs/dbraw/zinc/27/41/52/764274152.db2.gz NXPZIAWXCIHTNG-OWSLCNJRSA-N 1 1 349.475 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C)C2CCOCC2)C1 ZINC000995276194 764289368 /nfs/dbraw/zinc/28/93/68/764289368.db2.gz VRIVSYVJHMPYTG-PBHICJAKSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C)C2CCOCC2)C1 ZINC000995276194 764289377 /nfs/dbraw/zinc/28/93/77/764289377.db2.gz VRIVSYVJHMPYTG-PBHICJAKSA-N 1 1 347.459 0.474 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001047421815 764295350 /nfs/dbraw/zinc/29/53/50/764295350.db2.gz RZABIDGAANCFBC-STQMWFEESA-N 1 1 330.392 0.126 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001047421815 764295354 /nfs/dbraw/zinc/29/53/54/764295354.db2.gz RZABIDGAANCFBC-STQMWFEESA-N 1 1 330.392 0.126 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccccn3c2=O)C1 ZINC001047431928 764325121 /nfs/dbraw/zinc/32/51/21/764325121.db2.gz MFTPEGVHSCJAMI-GJZGRUSLSA-N 1 1 342.399 0.388 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001047433049 764331380 /nfs/dbraw/zinc/33/13/80/764331380.db2.gz VDPFOSSBFNOIBV-GJZGRUSLSA-N 1 1 328.372 0.639 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001047433049 764331387 /nfs/dbraw/zinc/33/13/87/764331387.db2.gz VDPFOSSBFNOIBV-GJZGRUSLSA-N 1 1 328.372 0.639 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001047447211 764374409 /nfs/dbraw/zinc/37/44/09/764374409.db2.gz XIKKVWCAQVRXQZ-KBPBESRZSA-N 1 1 346.387 0.106 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001052393834 764407053 /nfs/dbraw/zinc/40/70/53/764407053.db2.gz ROAHECWNAGNDJE-CYBMUJFWSA-N 1 1 334.424 0.314 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)[C@@H]2C)cc1 ZINC001088903369 764409867 /nfs/dbraw/zinc/40/98/67/764409867.db2.gz NFEMHRUFENOCSI-CJNGLKHVSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)[C@@H]2C)cc1 ZINC001088903369 764409871 /nfs/dbraw/zinc/40/98/71/764409871.db2.gz NFEMHRUFENOCSI-CJNGLKHVSA-N 1 1 329.400 0.637 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001047463184 764419182 /nfs/dbraw/zinc/41/91/82/764419182.db2.gz XCTUUPGONDHNGV-ILXRZTDVSA-N 1 1 333.436 0.310 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(CC)nn2C)C1 ZINC001047465029 764422531 /nfs/dbraw/zinc/42/25/31/764422531.db2.gz QECWQDNQORAXRG-IRXDYDNUSA-N 1 1 334.464 0.995 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001047471296 764438055 /nfs/dbraw/zinc/43/80/55/764438055.db2.gz MILBBZUEPJZVOX-KSZLIROESA-N 1 1 349.475 0.014 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001047471296 764438058 /nfs/dbraw/zinc/43/80/58/764438058.db2.gz MILBBZUEPJZVOX-KSZLIROESA-N 1 1 349.475 0.014 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)S(C)(=O)=O ZINC001089872807 764441758 /nfs/dbraw/zinc/44/17/58/764441758.db2.gz JYKRMXVAHSFICJ-XQLPTFJDSA-N 1 1 338.473 0.612 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3onc(C)c32)C1 ZINC001047474819 764449622 /nfs/dbraw/zinc/44/96/22/764449622.db2.gz UJKPGPKEWNUPCZ-KBPBESRZSA-N 1 1 328.372 0.590 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3onc(C)c32)C1 ZINC001047474819 764449626 /nfs/dbraw/zinc/44/96/26/764449626.db2.gz UJKPGPKEWNUPCZ-KBPBESRZSA-N 1 1 328.372 0.590 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cccnc23)C1 ZINC001047481442 764474571 /nfs/dbraw/zinc/47/45/71/764474571.db2.gz CNPCLQWXQVMNBW-GJZGRUSLSA-N 1 1 329.404 0.813 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC001052439010 764498626 /nfs/dbraw/zinc/49/86/26/764498626.db2.gz GGZDSUQRLFYWFC-LSDHHAIUSA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC001052439010 764498627 /nfs/dbraw/zinc/49/86/27/764498627.db2.gz GGZDSUQRLFYWFC-LSDHHAIUSA-N 1 1 326.462 0.948 20 30 ECEDMO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001047499377 764518087 /nfs/dbraw/zinc/51/80/87/764518087.db2.gz IGSZERFNNMMZMD-KKUMJFAQSA-N 1 1 345.871 0.352 20 30 ECEDMO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001047499377 764518095 /nfs/dbraw/zinc/51/80/95/764518095.db2.gz IGSZERFNNMMZMD-KKUMJFAQSA-N 1 1 345.871 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2nc(CC)oc2C)C1 ZINC000995362990 764519855 /nfs/dbraw/zinc/51/98/55/764519855.db2.gz UABVKTPCAVNOGF-AWEZNQCLSA-N 1 1 344.415 0.584 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2nc(CC)oc2C)C1 ZINC000995362990 764519861 /nfs/dbraw/zinc/51/98/61/764519861.db2.gz UABVKTPCAVNOGF-AWEZNQCLSA-N 1 1 344.415 0.584 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH]c3cnccc23)C1 ZINC001047501121 764524943 /nfs/dbraw/zinc/52/49/43/764524943.db2.gz NLRVZOIKGGCMJA-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH]c3cnccc23)C1 ZINC001047501121 764524951 /nfs/dbraw/zinc/52/49/51/764524951.db2.gz NLRVZOIKGGCMJA-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503975 764535260 /nfs/dbraw/zinc/53/52/60/764535260.db2.gz UAQORSMTEJBTTC-AVGNSLFASA-N 1 1 333.354 0.007 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503975 764535264 /nfs/dbraw/zinc/53/52/64/764535264.db2.gz UAQORSMTEJBTTC-AVGNSLFASA-N 1 1 333.354 0.007 20 30 ECEDMO O=C(C#CC1CC1)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001047523051 764584649 /nfs/dbraw/zinc/58/46/49/764584649.db2.gz PNANSKYPDJPTBE-DZKIICNBSA-N 1 1 326.400 0.861 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(=O)n(CC)n1 ZINC001089874607 764592809 /nfs/dbraw/zinc/59/28/09/764592809.db2.gz ALMIDALGDUNJCA-IVSAIRAKSA-N 1 1 340.427 0.679 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001052491267 764609722 /nfs/dbraw/zinc/60/97/22/764609722.db2.gz ANHOQGKDDIOTTI-HNNXBMFYSA-N 1 1 338.473 0.805 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@H]1C ZINC001088964629 764647507 /nfs/dbraw/zinc/64/75/07/764647507.db2.gz JINCOTWQGZEFSJ-HIFRSBDPSA-N 1 1 331.420 0.846 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@H]1C ZINC001088964629 764647514 /nfs/dbraw/zinc/64/75/14/764647514.db2.gz JINCOTWQGZEFSJ-HIFRSBDPSA-N 1 1 331.420 0.846 20 30 ECEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCS(=O)(=O)NC ZINC001099069288 764648902 /nfs/dbraw/zinc/64/89/02/764648902.db2.gz DWSJTHCSKMTCGK-AWEZNQCLSA-N 1 1 343.493 0.556 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2)C1 ZINC001047548071 764659202 /nfs/dbraw/zinc/65/92/02/764659202.db2.gz OMUYMWWSBYZAGT-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=O)N(C)C ZINC001099073779 764678830 /nfs/dbraw/zinc/67/88/30/764678830.db2.gz CHSONVBGLXZIFR-CABCVRRESA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(=O)N(C)C ZINC001099073779 764678836 /nfs/dbraw/zinc/67/88/36/764678836.db2.gz CHSONVBGLXZIFR-CABCVRRESA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCCN2C(C)=O)C1 ZINC001047557539 764687501 /nfs/dbraw/zinc/68/75/01/764687501.db2.gz ASSQAMYMDNSMLD-ULQDDVLXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001047564875 764704542 /nfs/dbraw/zinc/70/45/42/764704542.db2.gz CKAHSABXILSLCB-ROUUACIJSA-N 1 1 329.444 0.889 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001047567544 764714529 /nfs/dbraw/zinc/71/45/29/764714529.db2.gz LKAAANWJOIPCPN-IRXDYDNUSA-N 1 1 342.443 0.822 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC001052541250 764717495 /nfs/dbraw/zinc/71/74/95/764717495.db2.gz TWDDJSLLMIWHME-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO CN(C(=O)c1ccncn1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047570469 764725154 /nfs/dbraw/zinc/72/51/54/764725154.db2.gz PFJJSGADACIVJC-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)c1ccncn1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047570469 764725160 /nfs/dbraw/zinc/72/51/60/764725160.db2.gz PFJJSGADACIVJC-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001047588756 764792115 /nfs/dbraw/zinc/79/21/15/764792115.db2.gz SCCKQEWGLRNGOC-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccn3cc(C)nc23)C1 ZINC001047589394 764794568 /nfs/dbraw/zinc/79/45/68/764794568.db2.gz HZBVKOYGYPRCPP-KBPBESRZSA-N 1 1 329.404 0.731 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1O ZINC001047592027 764806251 /nfs/dbraw/zinc/80/62/51/764806251.db2.gz CJBHGULIHATUKJ-KKUMJFAQSA-N 1 1 349.431 0.798 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001047592026 764806637 /nfs/dbraw/zinc/80/66/37/764806637.db2.gz CJBHGULIHATUKJ-ILXRZTDVSA-N 1 1 349.431 0.798 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001047598262 764832043 /nfs/dbraw/zinc/83/20/43/764832043.db2.gz CKZYWUWLTBTMNP-XYJFISCASA-N 1 1 328.412 0.825 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccccc3O2)C1 ZINC001047618389 764897063 /nfs/dbraw/zinc/89/70/63/764897063.db2.gz FBXWPSYZNPBLHC-GRDNDAEWSA-N 1 1 330.384 0.353 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001047618812 764899040 /nfs/dbraw/zinc/89/90/40/764899040.db2.gz QBNXBDAMMBAQGS-STQMWFEESA-N 1 1 330.392 0.044 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001047618812 764899048 /nfs/dbraw/zinc/89/90/48/764899048.db2.gz QBNXBDAMMBAQGS-STQMWFEESA-N 1 1 330.392 0.044 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c3ccccc3oc2=O)C1 ZINC001047624550 764913589 /nfs/dbraw/zinc/91/35/89/764913589.db2.gz QRMDRZDNIMRTTF-KBPBESRZSA-N 1 1 331.372 0.284 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1=O ZINC001015544350 764921372 /nfs/dbraw/zinc/92/13/72/764921372.db2.gz DROQXFVVFYHLCP-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001052643217 764922658 /nfs/dbraw/zinc/92/26/58/764922658.db2.gz XMOYKUGQKOBEOE-UKRRQHHQSA-N 1 1 334.420 0.605 20 30 ECEDMO C#CCN1CC[C@]2(NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991955204 764930614 /nfs/dbraw/zinc/93/06/14/764930614.db2.gz LUPSVRIZTLGMCF-GHPIQZFPSA-N 1 1 329.444 0.596 20 30 ECEDMO C#CCN1CC[C@]2(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991955204 764930621 /nfs/dbraw/zinc/93/06/21/764930621.db2.gz LUPSVRIZTLGMCF-GHPIQZFPSA-N 1 1 329.444 0.596 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cnoc3)CC2)C1=O ZINC001052650439 764933016 /nfs/dbraw/zinc/93/30/16/764933016.db2.gz FEDOVERXVZIMRZ-CVEARBPZSA-N 1 1 346.431 0.975 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)C1=O ZINC001015550480 764937814 /nfs/dbraw/zinc/93/78/14/764937814.db2.gz STBHAWMKZHUDPN-IAGOWNOFSA-N 1 1 343.402 0.846 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1=O ZINC001015550480 764937820 /nfs/dbraw/zinc/93/78/20/764937820.db2.gz STBHAWMKZHUDPN-IAGOWNOFSA-N 1 1 343.402 0.846 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1=O ZINC001015565061 764972368 /nfs/dbraw/zinc/97/23/68/764972368.db2.gz XVWAJNPGPWPTSH-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)c1 ZINC001052696649 765001262 /nfs/dbraw/zinc/00/12/62/765001262.db2.gz SOGUSSLKCYZOAD-SJORKVTESA-N 1 1 340.427 0.926 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC001052706804 765018233 /nfs/dbraw/zinc/01/82/33/765018233.db2.gz XETZFIJITAFWNG-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001052731380 765050419 /nfs/dbraw/zinc/05/04/19/765050419.db2.gz PXDPYYHRGVCBEH-LSDHHAIUSA-N 1 1 330.436 0.620 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC1 ZINC001052734558 765053370 /nfs/dbraw/zinc/05/33/70/765053370.db2.gz ZLLNFHLCEYHHCG-AWEZNQCLSA-N 1 1 330.432 0.959 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)s1 ZINC001015626068 765098287 /nfs/dbraw/zinc/09/82/87/765098287.db2.gz HAPRAQJVPLQAAY-SNVBAGLBSA-N 1 1 329.385 0.707 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)s1 ZINC001015626068 765098295 /nfs/dbraw/zinc/09/82/95/765098295.db2.gz HAPRAQJVPLQAAY-SNVBAGLBSA-N 1 1 329.385 0.707 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)nn1 ZINC001052775712 765099052 /nfs/dbraw/zinc/09/90/52/765099052.db2.gz XCYOLHBAJZJQKF-UKRRQHHQSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cnn(C)c3)CC2)nn1 ZINC001052775906 765099143 /nfs/dbraw/zinc/09/91/43/765099143.db2.gz ZDDLRQQZIZPBAD-HNNXBMFYSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnn(C)c3)CC2)nn1 ZINC001052775907 765099380 /nfs/dbraw/zinc/09/93/80/765099380.db2.gz ZDDLRQQZIZPBAD-OAHLLOKOSA-N 1 1 343.435 0.982 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001060417965 765112692 /nfs/dbraw/zinc/11/26/92/765112692.db2.gz KZUCQXLBVKNHPA-WITASZOISA-N 1 1 340.431 0.772 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001052783411 765113668 /nfs/dbraw/zinc/11/36/68/765113668.db2.gz DXIDWYBDNCZURF-JZLYGMAVSA-N 1 1 334.420 0.521 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786064 765118714 /nfs/dbraw/zinc/11/87/14/765118714.db2.gz NXGVTSDBJVGCLG-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000992008329 765138427 /nfs/dbraw/zinc/13/84/27/765138427.db2.gz YZMABMYSBMXLEO-HRDQMINSSA-N 1 1 329.404 0.463 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(CC=C)C3=O)C2)c1 ZINC001015679295 765149752 /nfs/dbraw/zinc/14/97/52/765149752.db2.gz YSVARYLDTMUPRH-DLBZAZTESA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(CC=C)C3=O)C2)c1 ZINC001015679295 765149755 /nfs/dbraw/zinc/14/97/55/765149755.db2.gz YSVARYLDTMUPRH-DLBZAZTESA-N 1 1 338.411 0.654 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000992026468 765201684 /nfs/dbraw/zinc/20/16/84/765201684.db2.gz BWPFLOMUHPHMMX-KMFMINBZSA-N 1 1 335.448 0.636 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000992039161 765246843 /nfs/dbraw/zinc/24/68/43/765246843.db2.gz VWEKDVDOWIEVJL-LDZOIKDWSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001052863557 765246940 /nfs/dbraw/zinc/24/69/40/765246940.db2.gz PPGASJQCTAXIQZ-LBPRGKRZSA-N 1 1 342.827 0.604 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)cn1 ZINC001052877107 765282064 /nfs/dbraw/zinc/28/20/64/765282064.db2.gz CQCRBWFOSXRZSA-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)C2=CCOCC2)C1 ZINC000992055206 765307283 /nfs/dbraw/zinc/30/72/83/765307283.db2.gz XGENRDBXFXIEEH-PREGVCBESA-N 1 1 345.443 0.442 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)C2=CCOCC2)C1 ZINC000992055206 765307291 /nfs/dbraw/zinc/30/72/91/765307291.db2.gz XGENRDBXFXIEEH-PREGVCBESA-N 1 1 345.443 0.442 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)CC1 ZINC001052902082 765320190 /nfs/dbraw/zinc/32/01/90/765320190.db2.gz XCVNIWRHQVDNOM-LBPRGKRZSA-N 1 1 325.372 0.948 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001015788268 765323015 /nfs/dbraw/zinc/32/30/15/765323015.db2.gz DSMUPOMNZKXUCJ-ZDUSSCGKSA-N 1 1 330.392 0.048 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C)n2)C1 ZINC001089126877 765332018 /nfs/dbraw/zinc/33/20/18/765332018.db2.gz KSBVZMPNZAESMF-DZGCQCFKSA-N 1 1 343.431 0.706 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001052921823 765351587 /nfs/dbraw/zinc/35/15/87/765351587.db2.gz IXDFCTJJWBSOIY-HZSPNIEDSA-N 1 1 328.420 0.488 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)cc1 ZINC001015809985 765367357 /nfs/dbraw/zinc/36/73/57/765367357.db2.gz XEJXSWSUTHNTCV-HNNXBMFYSA-N 1 1 329.400 0.591 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C2)cc1 ZINC001015809985 765367368 /nfs/dbraw/zinc/36/73/68/765367368.db2.gz XEJXSWSUTHNTCV-HNNXBMFYSA-N 1 1 329.400 0.591 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)nn1 ZINC001015810546 765368475 /nfs/dbraw/zinc/36/84/75/765368475.db2.gz LYWZHWYJWLEOPB-ZIAGYGMSSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001015821669 765384633 /nfs/dbraw/zinc/38/46/33/765384633.db2.gz ZCYPHZUPGAWBOQ-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001015821669 765384643 /nfs/dbraw/zinc/38/46/43/765384643.db2.gz ZCYPHZUPGAWBOQ-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3nc(C)n(-c4nc[nH]n4)n3)CCC[C@H]12 ZINC000992074635 765385443 /nfs/dbraw/zinc/38/54/43/765385443.db2.gz XCGNYLFROAFKQL-BLLLJJGKSA-N 1 1 342.407 0.607 20 30 ECEDMO O=C(C[C@H]1CCC(=O)N1)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015835619 765406777 /nfs/dbraw/zinc/40/67/77/765406777.db2.gz YKHPQBUWGFOLLE-SJORKVTESA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(C[C@H]1CCC(=O)N1)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015835619 765406784 /nfs/dbraw/zinc/40/67/84/765406784.db2.gz YKHPQBUWGFOLLE-SJORKVTESA-N 1 1 325.412 0.897 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cnn(C)n3)C2)cc1C#N ZINC001015846930 765434979 /nfs/dbraw/zinc/43/49/79/765434979.db2.gz VFNCSZZVIWKKFC-AWEZNQCLSA-N 1 1 340.387 0.700 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cnn(C)n3)C2)cc1C#N ZINC001015846930 765434982 /nfs/dbraw/zinc/43/49/82/765434982.db2.gz VFNCSZZVIWKKFC-AWEZNQCLSA-N 1 1 340.387 0.700 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001052988440 765466287 /nfs/dbraw/zinc/46/62/87/765466287.db2.gz UYCVKVWBESTMAX-HOCLYGCPSA-N 1 1 346.431 0.442 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000992121046 765556945 /nfs/dbraw/zinc/55/69/45/765556945.db2.gz RZXGVXKVTTTWDI-HWOWSKLDSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001053084813 765561765 /nfs/dbraw/zinc/56/17/65/765561765.db2.gz XCMRIXYGEQPWRT-GOEBONIOSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001053084813 765561771 /nfs/dbraw/zinc/56/17/71/765561771.db2.gz XCMRIXYGEQPWRT-GOEBONIOSA-N 1 1 338.473 0.757 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)cc1 ZINC001077493590 765584925 /nfs/dbraw/zinc/58/49/25/765584925.db2.gz BRPPRLGAXWFQCY-KBAYOESNSA-N 1 1 328.412 0.869 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001016005675 765706219 /nfs/dbraw/zinc/70/62/19/765706219.db2.gz YQVBRABWLQBIAZ-HIFRSBDPSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001016005675 765706221 /nfs/dbraw/zinc/70/62/21/765706221.db2.gz YQVBRABWLQBIAZ-HIFRSBDPSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001016137485 765832624 /nfs/dbraw/zinc/83/26/24/765832624.db2.gz UMAKNHHAGUGKJQ-GXTWGEPZSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001016137485 765832628 /nfs/dbraw/zinc/83/26/28/765832628.db2.gz UMAKNHHAGUGKJQ-GXTWGEPZSA-N 1 1 331.420 0.563 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106108156 765839403 /nfs/dbraw/zinc/83/94/03/765839403.db2.gz GJYXZCACZPBZCE-WCQYABFASA-N 1 1 335.383 0.466 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)C[N@H+]2CCC[C@@H]2C)n1 ZINC001106108589 765854408 /nfs/dbraw/zinc/85/44/08/765854408.db2.gz LJJKMMTZYXWCKZ-GXTWGEPZSA-N 1 1 346.435 0.284 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccncc2)C1 ZINC001016182572 765876680 /nfs/dbraw/zinc/87/66/80/765876680.db2.gz MUWBZKGVWQZGDL-JCYILVPMSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccncc2)C1 ZINC001016182572 765876686 /nfs/dbraw/zinc/87/66/86/765876686.db2.gz MUWBZKGVWQZGDL-JCYILVPMSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccc[nH]2)C1 ZINC000992209676 765912330 /nfs/dbraw/zinc/91/23/30/765912330.db2.gz ZFLZAEGUQKLXHS-XUJLQICISA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccc[nH]2)C1 ZINC000992209676 765912332 /nfs/dbraw/zinc/91/23/32/765912332.db2.gz ZFLZAEGUQKLXHS-XUJLQICISA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cnn(C)c2)C1 ZINC001016232716 765948532 /nfs/dbraw/zinc/94/85/32/765948532.db2.gz PZFPDVLYRXWOAX-GPANFISMSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cnn(C)c2)C1 ZINC001016232716 765948533 /nfs/dbraw/zinc/94/85/33/765948533.db2.gz PZFPDVLYRXWOAX-GPANFISMSA-N 1 1 343.431 0.237 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001077507014 765955393 /nfs/dbraw/zinc/95/53/93/765955393.db2.gz RQNVEAVTSQWPOF-ZIAGYGMSSA-N 1 1 334.424 0.070 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001077507014 765955398 /nfs/dbraw/zinc/95/53/98/765955398.db2.gz RQNVEAVTSQWPOF-ZIAGYGMSSA-N 1 1 334.424 0.070 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3c(C)n[nH]c3C)C2)C1=O ZINC001016239719 765960452 /nfs/dbraw/zinc/96/04/52/765960452.db2.gz VKZBRBRPMJOXTI-ZBFHGGJFSA-N 1 1 345.447 0.546 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3c(C)n[nH]c3C)C2)C1=O ZINC001016239719 765960458 /nfs/dbraw/zinc/96/04/58/765960458.db2.gz VKZBRBRPMJOXTI-ZBFHGGJFSA-N 1 1 345.447 0.546 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccc(=O)n(C)c1)CCO2 ZINC001053327415 765979339 /nfs/dbraw/zinc/97/93/39/765979339.db2.gz HEWYCDBBNJUGDU-UHFFFAOYSA-N 1 1 331.416 0.878 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC000992242630 766028218 /nfs/dbraw/zinc/02/82/18/766028218.db2.gz RTVQSPWEIWDNRX-PASDCYSWSA-N 1 1 347.459 0.969 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cncn3)C2)nn1 ZINC001098778762 766155227 /nfs/dbraw/zinc/15/52/27/766155227.db2.gz AQSJTHNVXHBNAO-AWEZNQCLSA-N 1 1 330.396 0.009 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2nccs2)C1 ZINC000992345762 766338511 /nfs/dbraw/zinc/33/85/11/766338511.db2.gz GMYQWNUXYXREKR-RUXDESIVSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2nccs2)C1 ZINC000992345762 766338517 /nfs/dbraw/zinc/33/85/17/766338517.db2.gz GMYQWNUXYXREKR-RUXDESIVSA-N 1 1 346.456 0.865 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001045772457 766349716 /nfs/dbraw/zinc/34/97/16/766349716.db2.gz FUTSDSPEBFWTAU-INIZCTEOSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992351153 766351046 /nfs/dbraw/zinc/35/10/46/766351046.db2.gz MBPHTFFUZDFKNO-KDOFPFPSSA-N 1 1 344.415 0.875 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045785494 766368757 /nfs/dbraw/zinc/36/87/57/766368757.db2.gz QAHUXMJTHYLWLG-CQSZACIVSA-N 1 1 335.448 0.374 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001045786087 766370302 /nfs/dbraw/zinc/37/03/02/766370302.db2.gz YNOUGBMVKSFPAK-INIZCTEOSA-N 1 1 325.453 0.618 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)c1 ZINC001045844253 766426987 /nfs/dbraw/zinc/42/69/87/766426987.db2.gz FHKRYMIQLIGDJZ-WQVCFCJDSA-N 1 1 326.400 0.616 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(N)=O)c1 ZINC001045844253 766426993 /nfs/dbraw/zinc/42/69/93/766426993.db2.gz FHKRYMIQLIGDJZ-WQVCFCJDSA-N 1 1 326.400 0.616 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3n1CCOC3)O2 ZINC001053613550 766434311 /nfs/dbraw/zinc/43/43/11/766434311.db2.gz HYPZUYAVBWDJQB-AWEZNQCLSA-N 1 1 344.415 0.400 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCn3cncc3C1)O2 ZINC001053617517 766441763 /nfs/dbraw/zinc/44/17/63/766441763.db2.gz AOUSTPSYTHKRGL-NVXWUHKLSA-N 1 1 342.443 0.818 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn3c(n1)COCC3)O2 ZINC001053618528 766445989 /nfs/dbraw/zinc/44/59/89/766445989.db2.gz ZWKNUDGBWVWBEC-AWEZNQCLSA-N 1 1 344.415 0.400 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@@H]12 ZINC000992394863 766468674 /nfs/dbraw/zinc/46/86/74/766468674.db2.gz GWFSSOHFECCUMD-HWPZZCPQSA-N 1 1 334.376 0.809 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(OC)n(C)n1)O2 ZINC001053626517 766469034 /nfs/dbraw/zinc/46/90/34/766469034.db2.gz XVXSHYUYJTZMMJ-ZDUSSCGKSA-N 1 1 332.404 0.415 20 30 ECEDMO Cn1cc(C[NH+]2CCC3(C[C@@H]3NC(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC001016562250 766507772 /nfs/dbraw/zinc/50/77/72/766507772.db2.gz LGJHLZFMUSCECR-HNNXBMFYSA-N 1 1 339.403 0.799 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)N(C)C)CC3)cn1 ZINC000992412143 766516698 /nfs/dbraw/zinc/51/66/98/766516698.db2.gz RCABRMWVTWEZDL-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c(c3)C(=O)NC4=O)CCC[C@H]12 ZINC000992417324 766525517 /nfs/dbraw/zinc/52/55/17/766525517.db2.gz CMDWPKRZGVSSMS-HNAYVOBHSA-N 1 1 337.379 0.930 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 ZINC001045955611 766526172 /nfs/dbraw/zinc/52/61/72/766526172.db2.gz IIKNYHUMVADFPF-YJBOKZPZSA-N 1 1 332.448 0.738 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@@H]12 ZINC000992423111 766532824 /nfs/dbraw/zinc/53/28/24/766532824.db2.gz DAGRDSJRCIBFOU-CXAGYDPISA-N 1 1 340.387 0.168 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@]3(CC[N@H+](CCO)C3)C2)nn1 ZINC001045973059 766541735 /nfs/dbraw/zinc/54/17/35/766541735.db2.gz LXCQMMYCNFAHJH-KRWDZBQOSA-N 1 1 333.436 0.775 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC3(C[NH+]([C@@H](C)COC)C3)O2)nn1 ZINC001053676823 766560489 /nfs/dbraw/zinc/56/04/89/766560489.db2.gz KOUBYRGGTPRFHA-KBPBESRZSA-N 1 1 349.435 0.462 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3ncccn3n1)O2 ZINC001053681822 766573453 /nfs/dbraw/zinc/57/34/53/766573453.db2.gz VIFADCQZFCNNJH-AWEZNQCLSA-N 1 1 339.399 0.716 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 ZINC001045998675 766595117 /nfs/dbraw/zinc/59/51/17/766595117.db2.gz CHFMQBRIWPJJPB-KRWDZBQOSA-N 1 1 330.432 0.728 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(C)cn3)CC2)C1 ZINC001045999907 766597908 /nfs/dbraw/zinc/59/79/08/766597908.db2.gz UFCORPSYBJEOGL-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 ZINC001046006333 766615059 /nfs/dbraw/zinc/61/50/59/766615059.db2.gz JLKDKNYNYJYHRA-HUUCEWRRSA-N 1 1 343.855 0.373 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 ZINC001046006333 766615064 /nfs/dbraw/zinc/61/50/64/766615064.db2.gz JLKDKNYNYJYHRA-HUUCEWRRSA-N 1 1 343.855 0.373 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)on1 ZINC001046011545 766635753 /nfs/dbraw/zinc/63/57/53/766635753.db2.gz DPOFDFZTQRIROU-ZFWWWQNUSA-N 1 1 331.420 0.861 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)CC1 ZINC001046013283 766642316 /nfs/dbraw/zinc/64/23/16/766642316.db2.gz WBUAZDJGVOXSBM-GDBMZVCRSA-N 1 1 330.436 0.298 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)CC1 ZINC001046013283 766642325 /nfs/dbraw/zinc/64/23/25/766642325.db2.gz WBUAZDJGVOXSBM-GDBMZVCRSA-N 1 1 330.436 0.298 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 ZINC001046014492 766647144 /nfs/dbraw/zinc/64/71/44/766647144.db2.gz YDUYRCVOXVNHJE-IAGOWNOFSA-N 1 1 336.480 0.112 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@H]12 ZINC000992472105 766653663 /nfs/dbraw/zinc/65/36/63/766653663.db2.gz IFLPHOAIOFUZQB-KSSFIOAISA-N 1 1 348.447 0.960 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cc3nc4ncccn4n3)CCC[C@H]12 ZINC000992473833 766659116 /nfs/dbraw/zinc/65/91/16/766659116.db2.gz GFGPAPDFWOVVPO-KBXCAEBGSA-N 1 1 338.415 0.803 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046021908 766667467 /nfs/dbraw/zinc/66/74/67/766667467.db2.gz MXFSMJJIOCPBNZ-INIZCTEOSA-N 1 1 325.416 0.742 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046021909 766667485 /nfs/dbraw/zinc/66/74/85/766667485.db2.gz MXFSMJJIOCPBNZ-MRXNPFEDSA-N 1 1 325.416 0.742 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 ZINC001046022113 766668365 /nfs/dbraw/zinc/66/83/65/766668365.db2.gz LKWHCELTEFULHG-HZPDHXFCSA-N 1 1 332.452 0.634 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C)nn3)CC2)C1 ZINC001046026093 766681761 /nfs/dbraw/zinc/68/17/61/766681761.db2.gz CQILKDUZYNRNPK-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992483132 766683242 /nfs/dbraw/zinc/68/32/42/766683242.db2.gz YZQUBWCZIUXJRH-GUYCJALGSA-N 1 1 332.404 0.789 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccnn3C)CC2)C1 ZINC001046026664 766684476 /nfs/dbraw/zinc/68/44/76/766684476.db2.gz GOWRDFQWCJXSTF-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046027423 766685451 /nfs/dbraw/zinc/68/54/51/766685451.db2.gz LXTTUMSWXBRRTI-QGZVFWFLSA-N 1 1 329.448 0.814 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992484039 766685809 /nfs/dbraw/zinc/68/58/09/766685809.db2.gz ZOPGHWJDJRGIRN-DYVFJYSZSA-N 1 1 330.388 0.236 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1OC ZINC001212262475 766688695 /nfs/dbraw/zinc/68/86/95/766688695.db2.gz PKMDEFPJFYGDDI-ZIAGYGMSSA-N 1 1 330.375 0.887 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046028411 766691639 /nfs/dbraw/zinc/69/16/39/766691639.db2.gz BLSVLTNMGBOVOU-CYBMUJFWSA-N 1 1 338.843 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046028411 766691644 /nfs/dbraw/zinc/69/16/44/766691644.db2.gz BLSVLTNMGBOVOU-CYBMUJFWSA-N 1 1 338.843 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000994749874 766692101 /nfs/dbraw/zinc/69/21/01/766692101.db2.gz DWLSVCFZAOQTEJ-MAUKXSAKSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000994749874 766692106 /nfs/dbraw/zinc/69/21/06/766692106.db2.gz DWLSVCFZAOQTEJ-MAUKXSAKSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cccc(C)c3=O)CC2)C1 ZINC001046030638 766698358 /nfs/dbraw/zinc/69/83/58/766698358.db2.gz WTQDZDIRKMMZCA-KRWDZBQOSA-N 1 1 342.443 0.008 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@@H]12 ZINC000992489835 766700666 /nfs/dbraw/zinc/70/06/66/766700666.db2.gz CWXQHQGMZPHQHP-UMVBOHGHSA-N 1 1 327.450 0.367 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)c3ccnn3C)CC2)C1 ZINC001046031717 766702283 /nfs/dbraw/zinc/70/22/83/766702283.db2.gz UNKQRYOZRYYALM-IRXDYDNUSA-N 1 1 343.475 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(CC)c2C)C1 ZINC000994753343 766710067 /nfs/dbraw/zinc/71/00/67/766710067.db2.gz YVCKRAUMNZZVSD-INIZCTEOSA-N 1 1 343.431 0.250 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(CC)c2C)C1 ZINC000994753343 766710071 /nfs/dbraw/zinc/71/00/71/766710071.db2.gz YVCKRAUMNZZVSD-INIZCTEOSA-N 1 1 343.431 0.250 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CC3(CCC3)C2)C1 ZINC000994755135 766714723 /nfs/dbraw/zinc/71/47/23/766714723.db2.gz QHKWORXQRHOSRK-INIZCTEOSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CC3(CCC3)C2)C1 ZINC000994755135 766714730 /nfs/dbraw/zinc/71/47/30/766714730.db2.gz QHKWORXQRHOSRK-INIZCTEOSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)c2ccco2)C1 ZINC000994755315 766716289 /nfs/dbraw/zinc/71/62/89/766716289.db2.gz RCENQMLOTQYTGT-HIFRSBDPSA-N 1 1 329.400 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)c2ccco2)C1 ZINC000994755315 766716291 /nfs/dbraw/zinc/71/62/91/766716291.db2.gz RCENQMLOTQYTGT-HIFRSBDPSA-N 1 1 329.400 0.808 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046036028 766724296 /nfs/dbraw/zinc/72/42/96/766724296.db2.gz ZAHCHFXMXCNVOF-IAGOWNOFSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncc(OC)cc3F)CC2)C1 ZINC001046035982 766724355 /nfs/dbraw/zinc/72/43/55/766724355.db2.gz XSQXYIMUVUMTKT-CQSZACIVSA-N 1 1 346.406 0.695 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046036919 766730137 /nfs/dbraw/zinc/73/01/37/766730137.db2.gz PFJKFOJFWITLRO-SJORKVTESA-N 1 1 333.480 0.603 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCn4nccc43)CC2)C1 ZINC001046038697 766739286 /nfs/dbraw/zinc/73/92/86/766739286.db2.gz NCMKGQKMHIJMAQ-SJORKVTESA-N 1 1 341.459 0.612 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)C1 ZINC001046041014 766749924 /nfs/dbraw/zinc/74/99/24/766749924.db2.gz NEGATEYPUSVABP-SJLPKXTDSA-N 1 1 343.475 0.850 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC2)C1 ZINC001046041191 766751233 /nfs/dbraw/zinc/75/12/33/766751233.db2.gz FQROIKNGWMLQIN-HOTGVXAUSA-N 1 1 349.479 0.182 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)nnc3CC)CC2)C1 ZINC001046041977 766753870 /nfs/dbraw/zinc/75/38/70/766753870.db2.gz VVTKGSUVCZTMNZ-MRXNPFEDSA-N 1 1 341.459 0.813 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC001046042965 766758993 /nfs/dbraw/zinc/75/89/93/766758993.db2.gz QFLTVKJHRSXYDN-INIZCTEOSA-N 1 1 330.432 0.403 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC001046043380 766760756 /nfs/dbraw/zinc/76/07/56/766760756.db2.gz DDGRLJCVECXZTA-SFHVURJKSA-N 1 1 341.459 0.651 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC001046043659 766762621 /nfs/dbraw/zinc/76/26/21/766762621.db2.gz COKISBYZJZDFOA-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4nccn4c3)CC2)C1 ZINC001046043730 766763920 /nfs/dbraw/zinc/76/39/20/766763920.db2.gz LFDMOJOLLCCUQL-MRXNPFEDSA-N 1 1 338.415 0.195 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cncc3C)CC2)C1 ZINC001046044580 766767887 /nfs/dbraw/zinc/76/78/87/766767887.db2.gz ZIGOFLCLTVOFPG-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn4ccnc4c3)CC2)C1 ZINC001046044868 766768669 /nfs/dbraw/zinc/76/86/69/766768669.db2.gz SJVNAONUQJSNAS-QGZVFWFLSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3coc(OC)n3)CC2)C1 ZINC001046048132 766780167 /nfs/dbraw/zinc/78/01/67/766780167.db2.gz QOTHIBQHUSSOAF-CQSZACIVSA-N 1 1 332.404 0.539 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3nc(C)no3)CC2)C1 ZINC001046049765 766784155 /nfs/dbraw/zinc/78/41/55/766784155.db2.gz XJBFCXXFAMOECA-OAHLLOKOSA-N 1 1 331.420 0.162 20 30 ECEDMO C#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC001016715592 766784274 /nfs/dbraw/zinc/78/42/74/766784274.db2.gz POPYJDPPZFUNNR-INIZCTEOSA-N 1 1 344.459 0.979 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1 ZINC001046051355 766791907 /nfs/dbraw/zinc/79/19/07/766791907.db2.gz FVANSMKQCPUYJO-CQSZACIVSA-N 1 1 333.436 0.534 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)c3cncnc3)CC2)C1 ZINC001046054979 766803805 /nfs/dbraw/zinc/80/38/05/766803805.db2.gz TUKFHFXXPQABLJ-RDJZCZTQSA-N 1 1 329.448 0.985 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046055096 766803852 /nfs/dbraw/zinc/80/38/52/766803852.db2.gz NQQQCZXKSQJCMC-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)c3cncnc3)CC2)C1 ZINC001046054977 766804996 /nfs/dbraw/zinc/80/49/96/766804996.db2.gz TUKFHFXXPQABLJ-NVXWUHKLSA-N 1 1 329.448 0.985 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046055608 766806124 /nfs/dbraw/zinc/80/61/24/766806124.db2.gz FXTJGRCSVKWWPC-LPHOPBHVSA-N 1 1 348.491 0.697 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)CC[N@H+]1C ZINC001046055444 766806227 /nfs/dbraw/zinc/80/62/27/766806227.db2.gz XWBKCGRZDVDHRO-YESZJQIVSA-N 1 1 333.480 0.459 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC001046058520 766818003 /nfs/dbraw/zinc/81/80/03/766818003.db2.gz MVUHXPINOKECPP-MRXNPFEDSA-N 1 1 347.463 0.594 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1 ZINC001078260781 782579206 /nfs/dbraw/zinc/57/92/06/782579206.db2.gz TVEPHDBSIXXIMH-HZPDHXFCSA-N 1 1 333.363 0.582 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046059470 766821703 /nfs/dbraw/zinc/82/17/03/766821703.db2.gz IITXXJJQGAWDRQ-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC001046061829 766831708 /nfs/dbraw/zinc/83/17/08/766831708.db2.gz PNWFLANBCVQADY-HNNXBMFYSA-N 1 1 330.432 0.403 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C(N)=O)n3)CCC[C@H]12 ZINC000992545686 766831809 /nfs/dbraw/zinc/83/18/09/766831809.db2.gz HRJUERVODNPWFA-YJBOKZPZSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3[nH]c(C)nc3C)CC2)C1 ZINC001046063080 766837131 /nfs/dbraw/zinc/83/71/31/766837131.db2.gz LNIDWYYNPXPBDN-INIZCTEOSA-N 1 1 329.448 0.882 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cn(C)nc3Cl)CC2)C1 ZINC001046064710 766846585 /nfs/dbraw/zinc/84/65/85/766846585.db2.gz SADFWHMCEZKDIQ-OAHLLOKOSA-N 1 1 349.866 0.468 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@H]3CC[N@H+](CC#CC)C3)CC2)nn1 ZINC001046068116 766861459 /nfs/dbraw/zinc/86/14/59/766861459.db2.gz DEFURLGLUBCRKW-INIZCTEOSA-N 1 1 342.447 0.320 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3nnnc3C(C)C)CC2)C1 ZINC001046068362 766863133 /nfs/dbraw/zinc/86/31/33/766863133.db2.gz KIIGCIQRWDWYAR-HNNXBMFYSA-N 1 1 347.467 0.201 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@@H]3CC[N@@H+](CC4CC4)C3)CC2)nn1 ZINC001046068624 766864352 /nfs/dbraw/zinc/86/43/52/766864352.db2.gz PGGGXOQBMQVARQ-MRXNPFEDSA-N 1 1 344.463 0.706 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC001046068685 766865275 /nfs/dbraw/zinc/86/52/75/766865275.db2.gz QQMLVUNOLDOQDU-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 ZINC001046069168 766865902 /nfs/dbraw/zinc/86/59/02/766865902.db2.gz CMFUGSSFGJGCKQ-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3csc4cncn43)CC2)C1 ZINC001046069416 766867914 /nfs/dbraw/zinc/86/79/14/766867914.db2.gz FURIWPRAQCFUHU-AWEZNQCLSA-N 1 1 343.456 0.861 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C(C)C)nn3)CC2)C1 ZINC001046075053 766893065 /nfs/dbraw/zinc/89/30/65/766893065.db2.gz NVHRUXMVKNJKAV-MRXNPFEDSA-N 1 1 344.463 0.714 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)C1 ZINC001046076292 766902855 /nfs/dbraw/zinc/90/28/55/766902855.db2.gz DEWOMWPRBQYURS-INIZCTEOSA-N 1 1 342.443 0.539 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC001046076877 766905414 /nfs/dbraw/zinc/90/54/14/766905414.db2.gz IBKDEESGSIVQAU-INIZCTEOSA-N 1 1 343.431 0.341 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC001046077339 766908201 /nfs/dbraw/zinc/90/82/01/766908201.db2.gz MSBCLPUIMNLBMF-HZPDHXFCSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077339 766908206 /nfs/dbraw/zinc/90/82/06/766908206.db2.gz MSBCLPUIMNLBMF-HZPDHXFCSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077339 766908213 /nfs/dbraw/zinc/90/82/13/766908213.db2.gz MSBCLPUIMNLBMF-HZPDHXFCSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046081805 766920187 /nfs/dbraw/zinc/92/01/87/766920187.db2.gz OYZGBNWSSZRCMP-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C1 ZINC001046082949 766922185 /nfs/dbraw/zinc/92/21/85/766922185.db2.gz YVTQQDLTZBARFK-HNNXBMFYSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)C1 ZINC001046082949 766922187 /nfs/dbraw/zinc/92/21/87/766922187.db2.gz YVTQQDLTZBARFK-HNNXBMFYSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)C1 ZINC001046082949 766922188 /nfs/dbraw/zinc/92/21/88/766922188.db2.gz YVTQQDLTZBARFK-HNNXBMFYSA-N 1 1 340.431 0.976 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 ZINC001046083507 766922885 /nfs/dbraw/zinc/92/28/85/766922885.db2.gz RZSXGHSEBSCLAN-INIZCTEOSA-N 1 1 328.416 0.643 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3cc(C)cn3)CC2)C1 ZINC001046085425 766927805 /nfs/dbraw/zinc/92/78/05/766927805.db2.gz NQCSCRIADPWKIA-GOSISDBHSA-N 1 1 343.475 0.823 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046086627 766928536 /nfs/dbraw/zinc/92/85/36/766928536.db2.gz XZTHVMQYGSZBOF-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CN(CC)CCO3)CC2)C1 ZINC001046087656 766930151 /nfs/dbraw/zinc/93/01/51/766930151.db2.gz YSUXPQLFJZUSOJ-SJORKVTESA-N 1 1 336.480 0.112 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)N3CCOCC3)CC2)C1 ZINC001046089259 766931345 /nfs/dbraw/zinc/93/13/45/766931345.db2.gz AUEWFVODZTWBTA-IRXDYDNUSA-N 1 1 336.480 0.112 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(N)=O)ccn3)CC2)C1 ZINC001046090425 766932297 /nfs/dbraw/zinc/93/22/97/766932297.db2.gz VYEYFGUGGWYOQY-OAHLLOKOSA-N 1 1 343.431 0.199 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001089660729 766937694 /nfs/dbraw/zinc/93/76/94/766937694.db2.gz OSKGZHFONHXRJB-KGLIPLIRSA-N 1 1 345.447 0.786 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)CCC)C2)CCC1 ZINC001046120346 766950240 /nfs/dbraw/zinc/95/02/40/766950240.db2.gz WTPGHJMYKVZQQN-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016801536 766953489 /nfs/dbraw/zinc/95/34/89/766953489.db2.gz YCRFPKVCIRPGID-AWEZNQCLSA-N 1 1 330.363 0.653 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CO2 ZINC001053827011 766953703 /nfs/dbraw/zinc/95/37/03/766953703.db2.gz PHHJLZCLMCNQEJ-SJORKVTESA-N 1 1 333.476 0.947 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3n1CCOC3)CO2 ZINC001053835117 766975478 /nfs/dbraw/zinc/97/54/78/766975478.db2.gz CZDXZQMLEZWGHC-AWEZNQCLSA-N 1 1 346.431 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ncc(C)cn2)C1 ZINC001031740644 766985577 /nfs/dbraw/zinc/98/55/77/766985577.db2.gz HMUUCIASXMCRRI-INIZCTEOSA-N 1 1 327.432 0.431 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ncc(C)cn2)C1 ZINC001031740644 766985582 /nfs/dbraw/zinc/98/55/82/766985582.db2.gz HMUUCIASXMCRRI-INIZCTEOSA-N 1 1 327.432 0.431 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2csnn2)C1 ZINC001031740730 766987106 /nfs/dbraw/zinc/98/71/06/766987106.db2.gz KDMXGYIBDBSGSO-DOMZBBRYSA-N 1 1 333.461 0.745 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2csnn2)C1 ZINC001031740730 766987109 /nfs/dbraw/zinc/98/71/09/766987109.db2.gz KDMXGYIBDBSGSO-DOMZBBRYSA-N 1 1 333.461 0.745 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2noc(C3CC3)n2)C1 ZINC001031742605 766992528 /nfs/dbraw/zinc/99/25/28/766992528.db2.gz MRKYZWSUCOLKAS-HNNXBMFYSA-N 1 1 343.431 0.593 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2noc(C3CC3)n2)C1 ZINC001031742605 766992530 /nfs/dbraw/zinc/99/25/30/766992530.db2.gz MRKYZWSUCOLKAS-HNNXBMFYSA-N 1 1 343.431 0.593 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1C[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001031742477 766998869 /nfs/dbraw/zinc/99/88/69/766998869.db2.gz GONPUQWIRKOEIN-GJZGRUSLSA-N 1 1 341.402 0.556 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn3c(n1)COCC3)CO2 ZINC001053847894 767009184 /nfs/dbraw/zinc/00/91/84/767009184.db2.gz OBVRHNHCVYZBCK-AWEZNQCLSA-N 1 1 346.431 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001046169101 767010023 /nfs/dbraw/zinc/01/00/23/767010023.db2.gz LKBUMHSNJZHXQB-WMLDXEAASA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001046169101 767010037 /nfs/dbraw/zinc/01/00/37/767010037.db2.gz LKBUMHSNJZHXQB-WMLDXEAASA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCn3cncc3C1)CO2 ZINC001053850959 767017310 /nfs/dbraw/zinc/01/73/10/767017310.db2.gz HLKCIBAFGARVAN-CABCVRRESA-N 1 1 330.432 0.981 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)[nH]1 ZINC000994855566 767044076 /nfs/dbraw/zinc/04/40/76/767044076.db2.gz RKVFVVCLGYESRZ-ZBFHGGJFSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3c1CC(=O)N3)CO2 ZINC001053857964 767044340 /nfs/dbraw/zinc/04/43/40/767044340.db2.gz SXZXFKGMJMDRNG-GFCCVEGCSA-N 1 1 342.399 0.725 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001046206445 767063051 /nfs/dbraw/zinc/06/30/51/767063051.db2.gz UVDDRZJNXMADLS-SUMWQHHRSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001046206445 767063059 /nfs/dbraw/zinc/06/30/59/767063059.db2.gz UVDDRZJNXMADLS-SUMWQHHRSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001046207127 767065784 /nfs/dbraw/zinc/06/57/84/767065784.db2.gz LFGHVQKJWYGJPY-MAUKXSAKSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001046207127 767065792 /nfs/dbraw/zinc/06/57/92/767065792.db2.gz LFGHVQKJWYGJPY-MAUKXSAKSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)CO2 ZINC001053864572 767067326 /nfs/dbraw/zinc/06/73/26/767067326.db2.gz DQQYOJKIRPNFSX-UONOGXRCSA-N 1 1 342.461 0.347 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)CO2 ZINC001053865118 767069364 /nfs/dbraw/zinc/06/93/64/767069364.db2.gz RHFKVXHZJVTHGI-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001046225861 767096244 /nfs/dbraw/zinc/09/62/44/767096244.db2.gz GZWHZIHBCXBGGF-SUMWQHHRSA-N 1 1 339.403 0.860 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(=O)NC)nn1 ZINC001089707624 767105398 /nfs/dbraw/zinc/10/53/98/767105398.db2.gz ORQWUJPHTRUKHO-CYBMUJFWSA-N 1 1 348.451 0.431 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(=O)NC)nn1 ZINC001089707624 767105399 /nfs/dbraw/zinc/10/53/99/767105399.db2.gz ORQWUJPHTRUKHO-CYBMUJFWSA-N 1 1 348.451 0.431 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046247642 767106823 /nfs/dbraw/zinc/10/68/23/767106823.db2.gz HMMJZSRSDJAVRG-HKUYNNGSSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001046249098 767108611 /nfs/dbraw/zinc/10/86/11/767108611.db2.gz VGFZNWQIXPWJNF-UGSOOPFHSA-N 1 1 343.431 0.997 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nc1 ZINC000938819184 767119066 /nfs/dbraw/zinc/11/90/66/767119066.db2.gz BMKKYTWYDHOHFW-HOCLYGCPSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000938825157 767123820 /nfs/dbraw/zinc/12/38/20/767123820.db2.gz PZKCMDKKUPPGEE-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC001089731478 767134261 /nfs/dbraw/zinc/13/42/61/767134261.db2.gz RFEALRZDTZQPDA-CYBMUJFWSA-N 1 1 343.431 0.819 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001046316157 767144028 /nfs/dbraw/zinc/14/40/28/767144028.db2.gz LOVVQXVTZLOCFJ-CQSZACIVSA-N 1 1 335.448 0.517 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@H](OC)C1 ZINC001212308686 767195937 /nfs/dbraw/zinc/19/59/37/767195937.db2.gz FTPCUZBDCKLRSP-BFHYXJOUSA-N 1 1 347.481 0.096 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001046408076 767202279 /nfs/dbraw/zinc/20/22/79/767202279.db2.gz RTYYPOOLSQBWTI-SUMWQHHRSA-N 1 1 345.403 0.163 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCC(=O)N1C)CO2 ZINC001053887110 767204593 /nfs/dbraw/zinc/20/45/93/767204593.db2.gz HQIVDFGNNJHAPG-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000994898002 767208445 /nfs/dbraw/zinc/20/84/45/767208445.db2.gz ZWJHNEPYCSNRRA-ZYHUDNBSSA-N 1 1 328.380 0.098 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000994898855 767209846 /nfs/dbraw/zinc/20/98/46/767209846.db2.gz DSAKJCXHGRVIBD-GHMZBOCLSA-N 1 1 328.380 0.098 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CN(C(C)=O)C1 ZINC001089798064 767222443 /nfs/dbraw/zinc/22/24/43/767222443.db2.gz QULAFKHVXRTKEG-OWLYRPNTSA-N 1 1 329.444 0.657 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001089806678 767234111 /nfs/dbraw/zinc/23/41/11/767234111.db2.gz SHLQOLLQWQNJQS-VGWMRTNUSA-N 1 1 327.432 0.848 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CS(=O)(=O)C1 ZINC001089806915 767234235 /nfs/dbraw/zinc/23/42/35/767234235.db2.gz VWSRWUIGYZCNIO-HNKHHVNMSA-N 1 1 338.473 0.776 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001046466482 767243545 /nfs/dbraw/zinc/24/35/45/767243545.db2.gz LERIGSCMOKQINH-KRWDZBQOSA-N 1 1 332.404 0.107 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001046527778 767280351 /nfs/dbraw/zinc/28/03/51/767280351.db2.gz OCJKZDRALOKZBN-MLGOLLRUSA-N 1 1 332.408 0.094 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001046527778 767280352 /nfs/dbraw/zinc/28/03/52/767280352.db2.gz OCJKZDRALOKZBN-MLGOLLRUSA-N 1 1 332.408 0.094 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001046531331 767282838 /nfs/dbraw/zinc/28/28/38/767282838.db2.gz NEPCRFXVOIKYLO-RHSMWYFYSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001046531331 767282843 /nfs/dbraw/zinc/28/28/43/767282843.db2.gz NEPCRFXVOIKYLO-RHSMWYFYSA-N 1 1 331.420 0.699 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)cc1 ZINC001046532727 767283983 /nfs/dbraw/zinc/28/39/83/767283983.db2.gz AXEAPMDIWAKOCK-LJQANCHMSA-N 1 1 340.427 0.887 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046537680 767288318 /nfs/dbraw/zinc/28/83/18/767288318.db2.gz CJPHUVWRLMRPOU-CZUORRHYSA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046537680 767288322 /nfs/dbraw/zinc/28/83/22/767288322.db2.gz CJPHUVWRLMRPOU-CZUORRHYSA-N 1 1 332.429 0.836 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001089818604 767296518 /nfs/dbraw/zinc/29/65/18/767296518.db2.gz WJEWMXHJDWRBBA-QCQGSNGOSA-N 1 1 336.399 0.769 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089820576 767316197 /nfs/dbraw/zinc/31/61/97/767316197.db2.gz NWIKITYZXHEYKK-HZMVEIRTSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)CO2 ZINC001053906499 767320460 /nfs/dbraw/zinc/32/04/60/767320460.db2.gz AVDMHEMOOMFLIK-NSHDSACASA-N 1 1 343.387 0.813 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908377 767329619 /nfs/dbraw/zinc/32/96/19/767329619.db2.gz RDTPMDGFAVXHQS-HOTGVXAUSA-N 1 1 342.443 0.737 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001046604302 767356880 /nfs/dbraw/zinc/35/68/80/767356880.db2.gz IKVKTQXEPWQHSP-QAPCUYQASA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001046604302 767356887 /nfs/dbraw/zinc/35/68/87/767356887.db2.gz IKVKTQXEPWQHSP-QAPCUYQASA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001046606864 767358271 /nfs/dbraw/zinc/35/82/71/767358271.db2.gz KITWZUGVVQCAFZ-GOSISDBHSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC3CC3)C2)c1 ZINC001046606864 767358275 /nfs/dbraw/zinc/35/82/75/767358275.db2.gz KITWZUGVVQCAFZ-GOSISDBHSA-N 1 1 326.400 0.536 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 ZINC001106146808 767367536 /nfs/dbraw/zinc/36/75/36/767367536.db2.gz GRHYKVPVFWEOQS-HUUCEWRRSA-N 1 1 346.435 0.420 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCCC2=CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001089832551 767397945 /nfs/dbraw/zinc/39/79/45/767397945.db2.gz YLVXVXIYHPTDRQ-HNNXBMFYSA-N 1 1 340.431 0.943 20 30 ECEDMO Cc1cc(NC[C@@H](O)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C#N)cn1 ZINC001106157744 767422131 /nfs/dbraw/zinc/42/21/31/767422131.db2.gz JPGIMURDVFMPQZ-HZPDHXFCSA-N 1 1 345.447 0.447 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2COC3(C[NH+](CC[C@@H](C)F)C3)C2)nn1 ZINC001053950107 767434250 /nfs/dbraw/zinc/43/42/50/767434250.db2.gz UWQMSHAHHLZDNE-CHWSQXEVSA-N 1 1 337.399 0.785 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(=O)n(CC)n1)CO2 ZINC001053960095 767458086 /nfs/dbraw/zinc/45/80/86/767458086.db2.gz OFXNOOPNHJPNPU-CYBMUJFWSA-N 1 1 332.404 0.412 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](CCc3ccnn3C)C2)nn1 ZINC001046680715 767469068 /nfs/dbraw/zinc/46/90/68/767469068.db2.gz GZCAEVORIPRSJX-QGZVFWFLSA-N 1 1 343.435 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2nocc2C)C1 ZINC001017025878 767475701 /nfs/dbraw/zinc/47/57/01/767475701.db2.gz WZCZGIUZRXBGTG-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2nocc2C)C1 ZINC001017025878 767475704 /nfs/dbraw/zinc/47/57/04/767475704.db2.gz WZCZGIUZRXBGTG-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO N#CCN1CC2(C1)C[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)CO2 ZINC001053968665 767487286 /nfs/dbraw/zinc/48/72/86/767487286.db2.gz SLLWGGFVVHIXPI-CQSZACIVSA-N 1 1 338.371 0.364 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CCC1 ZINC001046691742 767490621 /nfs/dbraw/zinc/49/06/21/767490621.db2.gz LJNCNZXVMSNFFC-GJZGRUSLSA-N 1 1 347.459 0.067 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)nc1 ZINC001053985672 767535907 /nfs/dbraw/zinc/53/59/07/767535907.db2.gz WFUAHGUZWBNEDC-HZPDHXFCSA-N 1 1 341.411 0.673 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ncccc3C#N)C2)C1 ZINC001046753418 767590481 /nfs/dbraw/zinc/59/04/81/767590481.db2.gz VNWZCJKWYZZZKZ-BPLDGKMQSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ncccc3C#N)C2)C1 ZINC001046753418 767590485 /nfs/dbraw/zinc/59/04/85/767590485.db2.gz VNWZCJKWYZZZKZ-BPLDGKMQSA-N 1 1 329.404 0.591 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nncn3C1)CO2 ZINC001054017359 767608905 /nfs/dbraw/zinc/60/89/05/767608905.db2.gz XSGSNEFMODMCFP-KBPBESRZSA-N 1 1 331.420 0.376 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001054050567 767650347 /nfs/dbraw/zinc/65/03/47/767650347.db2.gz GNGZEIDJBRZISK-INIZCTEOSA-N 1 1 336.395 0.950 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001054050567 767650350 /nfs/dbraw/zinc/65/03/50/767650350.db2.gz GNGZEIDJBRZISK-INIZCTEOSA-N 1 1 336.395 0.950 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001054057611 767655485 /nfs/dbraw/zinc/65/54/85/767655485.db2.gz BALIHBIXPOQOOK-IRXDYDNUSA-N 1 1 325.412 0.831 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054059230 767655849 /nfs/dbraw/zinc/65/58/49/767655849.db2.gz JWFKIFGBAYRPJS-ZWKOTPCHSA-N 1 1 342.443 0.774 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054059230 767655852 /nfs/dbraw/zinc/65/58/52/767655852.db2.gz JWFKIFGBAYRPJS-ZWKOTPCHSA-N 1 1 342.443 0.774 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001054061423 767659601 /nfs/dbraw/zinc/65/96/01/767659601.db2.gz ZPLIGYXOIPXYRZ-CVEARBPZSA-N 1 1 349.456 0.407 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001054061423 767659607 /nfs/dbraw/zinc/65/96/07/767659607.db2.gz ZPLIGYXOIPXYRZ-CVEARBPZSA-N 1 1 349.456 0.407 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001054102545 767690817 /nfs/dbraw/zinc/69/08/17/767690817.db2.gz OHMYCEFLALYYJO-LRDDRELGSA-N 1 1 332.408 0.083 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001054102545 767690819 /nfs/dbraw/zinc/69/08/19/767690819.db2.gz OHMYCEFLALYYJO-LRDDRELGSA-N 1 1 332.408 0.083 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)[nH]1 ZINC001054115569 767703030 /nfs/dbraw/zinc/70/30/30/767703030.db2.gz BBRHTCDFVKDBBZ-MAUKXSAKSA-N 1 1 341.415 0.703 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1nnn(C(C)(C)C)n1)C2 ZINC001054135708 767730851 /nfs/dbraw/zinc/73/08/51/767730851.db2.gz IMWJUKWWOBYSID-KRWDZBQOSA-N 1 1 330.436 0.989 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)N1C(=O)CCC1=O)C2 ZINC001054141534 767735941 /nfs/dbraw/zinc/73/59/41/767735941.db2.gz MFSRFAOYRKIVSV-HNAYVOBHSA-N 1 1 345.443 0.862 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](Cn1cccn1)N(C)C)C2 ZINC001054144722 767740560 /nfs/dbraw/zinc/74/05/60/767740560.db2.gz CNDIWGKDSGDNOC-MJGOQNOKSA-N 1 1 343.475 0.761 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCOCC1=O)C2 ZINC001054146813 767741757 /nfs/dbraw/zinc/74/17/57/767741757.db2.gz RJVXVGPGOOLMHE-SFHVURJKSA-N 1 1 333.432 0.183 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001054166938 767765565 /nfs/dbraw/zinc/76/55/65/767765565.db2.gz NAXBWCKMCMCRFB-KRWDZBQOSA-N 1 1 333.436 0.472 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c(C)c[nH]c1CC(N)=O)C2 ZINC001054202583 767799416 /nfs/dbraw/zinc/79/94/16/767799416.db2.gz IMFSSXNVTOVFNB-IBGZPJMESA-N 1 1 342.443 0.912 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)nn1 ZINC001054210676 767808227 /nfs/dbraw/zinc/80/82/27/767808227.db2.gz UPYJDKMMIGTRQP-SUMWQHHRSA-N 1 1 346.435 0.266 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](CC(=O)NC)C3)C2)cn1 ZINC001054230405 767840991 /nfs/dbraw/zinc/84/09/91/767840991.db2.gz SJXRZZFKZCAWFN-IBGZPJMESA-N 1 1 340.427 0.737 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)c(C)nn(C)c1=O ZINC001017786326 768367465 /nfs/dbraw/zinc/36/74/65/768367465.db2.gz TYYOGLWSFTXHRR-GASCZTMLSA-N 1 1 328.416 0.709 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)c(C)nn(C)c1=O ZINC001017786326 768367470 /nfs/dbraw/zinc/36/74/70/768367470.db2.gz TYYOGLWSFTXHRR-GASCZTMLSA-N 1 1 328.416 0.709 20 30 ECEDMO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001106568195 768445379 /nfs/dbraw/zinc/44/53/79/768445379.db2.gz DTACSNLVXCALDW-ZDUSSCGKSA-N 1 1 330.436 0.809 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993202528 768454688 /nfs/dbraw/zinc/45/46/88/768454688.db2.gz AMPXCUDTRWGCFU-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993202528 768454695 /nfs/dbraw/zinc/45/46/95/768454695.db2.gz AMPXCUDTRWGCFU-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1ccnc(C#N)n1 ZINC001106616036 768513244 /nfs/dbraw/zinc/51/32/44/768513244.db2.gz OWMRLGUEHNVAHM-KBPBESRZSA-N 1 1 330.436 0.951 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001018054456 768666792 /nfs/dbraw/zinc/66/67/92/768666792.db2.gz JVOAAVCVIQRZBJ-MBIJGJCISA-N 1 1 346.431 0.616 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001055223319 768681741 /nfs/dbraw/zinc/68/17/41/768681741.db2.gz XUZGAWXPGMFWAU-WCXIOVBPSA-N 1 1 349.475 0.979 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)CC[N@H+]1C ZINC001055224145 768682369 /nfs/dbraw/zinc/68/23/69/768682369.db2.gz CPOJMRDFCXWBGP-XJBGLIRHSA-N 1 1 340.431 0.914 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001055250182 768708925 /nfs/dbraw/zinc/70/89/25/768708925.db2.gz AKRNGYOTFBOUQI-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)(C)NC(=O)NC)C2)nn1 ZINC001098790114 768741332 /nfs/dbraw/zinc/74/13/32/768741332.db2.gz OPBSYNFNBBBQKD-CYBMUJFWSA-N 1 1 349.439 0.035 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001055338258 768794324 /nfs/dbraw/zinc/79/43/24/768794324.db2.gz QHJATUOAIMLVJC-CALCHBBNSA-N 1 1 349.475 0.675 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001055338417 768795064 /nfs/dbraw/zinc/79/50/64/768795064.db2.gz TYMCHQALMAELGG-WCXIOVBPSA-N 1 1 347.459 0.283 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001055339251 768796128 /nfs/dbraw/zinc/79/61/28/768796128.db2.gz ANTNRUIAJNDIRF-WCXIOVBPSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001055340172 768797704 /nfs/dbraw/zinc/79/77/04/768797704.db2.gz OGJIUWUCDIRRNN-VQHPVUNQSA-N 1 1 347.459 0.283 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 ZINC001055340718 768798344 /nfs/dbraw/zinc/79/83/44/768798344.db2.gz VRKPEXZPLUPHKS-MCIONIFRSA-N 1 1 337.387 0.779 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C1 ZINC001055379819 768836467 /nfs/dbraw/zinc/83/64/67/768836467.db2.gz TYYVFIVOJJKIJH-OAGGEKHMSA-N 1 1 337.464 0.836 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC000993388651 768940748 /nfs/dbraw/zinc/94/07/48/768940748.db2.gz CYTDPBFNCXAPMG-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001055539210 769055494 /nfs/dbraw/zinc/05/54/94/769055494.db2.gz RKEGZYUZTMGINB-UHFFFAOYSA-N 1 1 338.496 0.990 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001055539210 769055502 /nfs/dbraw/zinc/05/55/02/769055502.db2.gz RKEGZYUZTMGINB-UHFFFAOYSA-N 1 1 338.496 0.990 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2n[nH]cc2F)CC1 ZINC001055572587 769149721 /nfs/dbraw/zinc/14/97/21/769149721.db2.gz IXWDJDLLRVPHTJ-UHFFFAOYSA-N 1 1 349.410 0.519 20 30 ECEDMO O=C(C#CC1CC1)NCCN1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055573410 769154338 /nfs/dbraw/zinc/15/43/38/769154338.db2.gz BYHOQIPVAABLMA-UHFFFAOYSA-N 1 1 346.475 0.192 20 30 ECEDMO C=CCn1cc(C(=O)NCC[NH+]2CCC(NC(=O)CCC)CC2)nn1 ZINC001055578056 769171791 /nfs/dbraw/zinc/17/17/91/769171791.db2.gz XOYZPJINFSFMKU-UHFFFAOYSA-N 1 1 348.451 0.575 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055578235 769172664 /nfs/dbraw/zinc/17/26/64/769172664.db2.gz JLTFMIGPXFAZRQ-UHFFFAOYSA-N 1 1 336.480 0.745 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)[C@@H](O)C1 ZINC001083740503 769177228 /nfs/dbraw/zinc/17/72/28/769177228.db2.gz FTIJCERRQXPSOX-SJORKVTESA-N 1 1 327.384 0.975 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)[C@@H](O)C1 ZINC001083740503 769177234 /nfs/dbraw/zinc/17/72/34/769177234.db2.gz FTIJCERRQXPSOX-SJORKVTESA-N 1 1 327.384 0.975 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H](CC)OC)C2)CC1 ZINC001018357019 769179160 /nfs/dbraw/zinc/17/91/60/769179160.db2.gz ZTZNSGSGCKAPLR-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO Cc1noc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)c1C ZINC001055593566 769206287 /nfs/dbraw/zinc/20/62/87/769206287.db2.gz LOJQLCZUIPJHDC-NSHDSACASA-N 1 1 347.419 0.762 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000993515859 769211899 /nfs/dbraw/zinc/21/18/99/769211899.db2.gz CKROQCXEECJWIL-PWSUYJOCSA-N 1 1 327.406 0.696 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2csnn2)CC1 ZINC001055601782 769230824 /nfs/dbraw/zinc/23/08/24/769230824.db2.gz BSMSCTVSFYROSE-JTQLQIEISA-N 1 1 336.421 0.008 20 30 ECEDMO Cc1ncoc1C(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055629664 769296555 /nfs/dbraw/zinc/29/65/55/769296555.db2.gz GWOHXLBQLXBUJT-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001055631793 769303660 /nfs/dbraw/zinc/30/36/60/769303660.db2.gz KQNXJSCYOOOCDU-LSDHHAIUSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001055631793 769303670 /nfs/dbraw/zinc/30/36/70/769303670.db2.gz KQNXJSCYOOOCDU-LSDHHAIUSA-N 1 1 349.479 0.185 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H]1C ZINC000993586458 769312289 /nfs/dbraw/zinc/31/22/89/769312289.db2.gz FFXPOMBMWCTLDK-LSDHHAIUSA-N 1 1 341.477 0.404 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000993559703 769317539 /nfs/dbraw/zinc/31/75/39/769317539.db2.gz CDKXAYLWGIJAOX-GHMZBOCLSA-N 1 1 327.406 0.696 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H]1C ZINC000993617520 769369539 /nfs/dbraw/zinc/36/95/39/769369539.db2.gz FFCAMFWRFMYJRU-KBPBESRZSA-N 1 1 341.415 0.937 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H]1C ZINC000993588840 769377340 /nfs/dbraw/zinc/37/73/40/769377340.db2.gz RFUVNZIVNMAZRA-UONOGXRCSA-N 1 1 334.420 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)C2CCC2)C1 ZINC001055691716 769426352 /nfs/dbraw/zinc/42/63/52/769426352.db2.gz OQMBPTRUENGDPH-LPHOPBHVSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)C2CCC2)C1 ZINC001055691716 769426355 /nfs/dbraw/zinc/42/63/55/769426355.db2.gz OQMBPTRUENGDPH-LPHOPBHVSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC)[C@@H]2C1 ZINC001042093776 782751698 /nfs/dbraw/zinc/75/16/98/782751698.db2.gz BFXYLGPOHBZRLC-GDBMZVCRSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC)[C@@H]2C1 ZINC001042093776 782751701 /nfs/dbraw/zinc/75/17/01/782751701.db2.gz BFXYLGPOHBZRLC-GDBMZVCRSA-N 1 1 330.432 0.957 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000993740254 769544636 /nfs/dbraw/zinc/54/46/36/769544636.db2.gz FILNESSIQQQICA-IUODEOHRSA-N 1 1 330.388 0.543 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000993740260 769544662 /nfs/dbraw/zinc/54/46/62/769544662.db2.gz FILNESSIQQQICA-WFASDCNBSA-N 1 1 330.388 0.543 20 30 ECEDMO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C(N)=O)[C@@H]2C)cc1C#N ZINC000993744908 769549735 /nfs/dbraw/zinc/54/97/35/769549735.db2.gz LHQLUQNDXGOMCQ-SMDDNHRTSA-N 1 1 330.388 0.521 20 30 ECEDMO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C(N)=O)[C@@H]2C)cc1C#N ZINC000993744908 769549742 /nfs/dbraw/zinc/54/97/42/769549742.db2.gz LHQLUQNDXGOMCQ-SMDDNHRTSA-N 1 1 330.388 0.521 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001042103766 782772786 /nfs/dbraw/zinc/77/27/86/782772786.db2.gz ICKDBJMPVPTHQN-OAHLLOKOSA-N 1 1 335.448 0.517 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)c1 ZINC000993878494 769777481 /nfs/dbraw/zinc/77/74/81/769777481.db2.gz KRDMNHROQXAFQB-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000993866918 769814500 /nfs/dbraw/zinc/81/45/00/769814500.db2.gz RPHNRTOFENJEPW-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001055832448 769897409 /nfs/dbraw/zinc/89/74/09/769897409.db2.gz XDZYEROTJUTIGW-QGZVFWFLSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055836718 769914873 /nfs/dbraw/zinc/91/48/73/769914873.db2.gz DREVGPDSRDYASZ-KBXCAEBGSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055837168 769917090 /nfs/dbraw/zinc/91/70/90/769917090.db2.gz KTWIWPOJSRUTKW-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)[C@@H]2C)nn1 ZINC000993951277 769936505 /nfs/dbraw/zinc/93/65/05/769936505.db2.gz OCGXIXJTCCMKJL-ZIAGYGMSSA-N 1 1 344.423 0.339 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC000993990563 769972311 /nfs/dbraw/zinc/97/23/11/769972311.db2.gz RPBRZBGOUIBZGV-HUUCEWRRSA-N 1 1 346.435 0.171 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H]1C ZINC000994003340 769992885 /nfs/dbraw/zinc/99/28/85/769992885.db2.gz GKBCMLJBRITEJB-OCCSQVGLSA-N 1 1 327.388 0.547 20 30 ECEDMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1 ZINC001078374360 782801006 /nfs/dbraw/zinc/80/10/06/782801006.db2.gz XTWDQSJHGVHKEI-CYBMUJFWSA-N 1 1 344.375 0.599 20 30 ECEDMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1 ZINC001078374361 782801318 /nfs/dbraw/zinc/80/13/18/782801318.db2.gz XTWDQSJHGVHKEI-ZDUSSCGKSA-N 1 1 344.375 0.599 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001055906867 770169374 /nfs/dbraw/zinc/16/93/74/770169374.db2.gz XQXGYIGDPJPMLR-CQSZACIVSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001055910067 770178211 /nfs/dbraw/zinc/17/82/11/770178211.db2.gz GQVBHDKMOBYEGP-GOSISDBHSA-N 1 1 346.431 0.465 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055910372 770179711 /nfs/dbraw/zinc/17/97/11/770179711.db2.gz MYBWNJMAPBVDOJ-YJBOKZPZSA-N 1 1 335.448 0.354 20 30 ECEDMO N#Cc1cncc(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)n1 ZINC001055912481 770189097 /nfs/dbraw/zinc/18/90/97/770189097.db2.gz KSMZFIGCTZABOL-GOEBONIOSA-N 1 1 340.431 0.871 20 30 ECEDMO N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001055928284 770250354 /nfs/dbraw/zinc/25/03/54/770250354.db2.gz PVYXHXJYDWGUPU-AWEZNQCLSA-N 1 1 337.387 0.771 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@H]21 ZINC001042129948 782819914 /nfs/dbraw/zinc/81/99/14/782819914.db2.gz MVVGNQWRRNHHPF-NVXWUHKLSA-N 1 1 343.427 0.664 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)C#CC(C)C)C1 ZINC001055933823 770273756 /nfs/dbraw/zinc/27/37/56/770273756.db2.gz VODAXYCCHHNKNA-GOSISDBHSA-N 1 1 337.464 0.457 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)C#CC(C)C)C1 ZINC001055934022 770274871 /nfs/dbraw/zinc/27/48/71/770274871.db2.gz ZXRQZPJTMGQUKC-SFHVURJKSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H]1C ZINC000994186112 770274916 /nfs/dbraw/zinc/27/49/16/770274916.db2.gz ZYJQFCZVOPNKKC-GJZGRUSLSA-N 1 1 345.447 0.374 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055935692 770281619 /nfs/dbraw/zinc/28/16/19/770281619.db2.gz YIMGDUGIRDBGEX-MDZRGWNJSA-N 1 1 349.475 0.456 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938307 770288231 /nfs/dbraw/zinc/28/82/31/770288231.db2.gz BYAWEZUVUDRDDT-GOSISDBHSA-N 1 1 344.415 0.075 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938366 770289937 /nfs/dbraw/zinc/28/99/37/770289937.db2.gz CTFAAIQXSWLAJG-LJQANCHMSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC000994216372 770323171 /nfs/dbraw/zinc/32/31/71/770323171.db2.gz VGTSSUNQPDFKNJ-VXGBXAGGSA-N 1 1 328.376 0.024 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001055952527 770340560 /nfs/dbraw/zinc/34/05/60/770340560.db2.gz HWSSCPRASYMBEM-GOSISDBHSA-N 1 1 348.447 0.873 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000994232181 770360200 /nfs/dbraw/zinc/36/02/00/770360200.db2.gz GWJQNJBTWQXLMK-JHJVBQTASA-N 1 1 347.419 0.720 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001018950626 770363732 /nfs/dbraw/zinc/36/37/32/770363732.db2.gz JOUFCZNIQOFHPT-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)C1 ZINC001018957262 770387297 /nfs/dbraw/zinc/38/72/97/770387297.db2.gz HCMVSGQPYWKJMD-CYBMUJFWSA-N 1 1 341.415 0.513 20 30 ECEDMO C=C(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055972971 770408300 /nfs/dbraw/zinc/40/83/00/770408300.db2.gz OVSLGQRQHOUFRJ-CRAIPNDOSA-N 1 1 337.464 0.764 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001055988172 770464461 /nfs/dbraw/zinc/46/44/61/770464461.db2.gz YLHIXFJPDIONDY-LJQANCHMSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(C)s2)C1 ZINC001018986249 770485510 /nfs/dbraw/zinc/48/55/10/770485510.db2.gz WZKRFROTLUYISG-KBPBESRZSA-N 1 1 333.461 0.635 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(C)s2)C1 ZINC001018986249 770485515 /nfs/dbraw/zinc/48/55/15/770485515.db2.gz WZKRFROTLUYISG-KBPBESRZSA-N 1 1 333.461 0.635 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001056032204 770618811 /nfs/dbraw/zinc/61/88/11/770618811.db2.gz IMIIXBKZDRHQFG-QGZVFWFLSA-N 1 1 325.453 0.764 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC000994339271 770630433 /nfs/dbraw/zinc/63/04/33/770630433.db2.gz RAJLGRDRCZVPHC-CHWSQXEVSA-N 1 1 336.436 0.862 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C ZINC000994368015 770668080 /nfs/dbraw/zinc/66/80/80/770668080.db2.gz VDNZFNUBMZTVCE-KGLIPLIRSA-N 1 1 336.436 0.816 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 ZINC001056095648 770812987 /nfs/dbraw/zinc/81/29/87/770812987.db2.gz CQIINYGUJYYWTM-DYVFJYSZSA-N 1 1 338.452 0.346 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C ZINC000994482072 770883488 /nfs/dbraw/zinc/88/34/88/770883488.db2.gz DKJGHPLMCAKFPG-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@H]21 ZINC001042163295 782877262 /nfs/dbraw/zinc/87/72/62/782877262.db2.gz RGVITXYWWPKXHL-CZUORRHYSA-N 1 1 339.403 0.780 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]2O)CC1 ZINC001083754782 770929680 /nfs/dbraw/zinc/92/96/80/770929680.db2.gz SWNWIOMRNQOHOD-OAGGEKHMSA-N 1 1 345.447 0.673 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001056149656 770938018 /nfs/dbraw/zinc/93/80/18/770938018.db2.gz NDNQSJFYJIEUAF-XUWVNRHRSA-N 1 1 325.416 0.907 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]21 ZINC001056150539 770939734 /nfs/dbraw/zinc/93/97/34/770939734.db2.gz SNOLLMYBZNNPKE-OSRDXIQISA-N 1 1 329.379 0.737 20 30 ECEDMO Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001056182746 771003948 /nfs/dbraw/zinc/00/39/48/771003948.db2.gz RFMGHJFLHNNYIA-RQJABVFESA-N 1 1 347.444 0.205 20 30 ECEDMO Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001056182746 771003955 /nfs/dbraw/zinc/00/39/55/771003955.db2.gz RFMGHJFLHNNYIA-RQJABVFESA-N 1 1 347.444 0.205 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)CC(C)(C)C1 ZINC001089398588 771045305 /nfs/dbraw/zinc/04/53/05/771045305.db2.gz IOTZVAZOQSXPTR-UONOGXRCSA-N 1 1 333.432 0.764 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)C1 ZINC001056253621 771045697 /nfs/dbraw/zinc/04/56/97/771045697.db2.gz MCTWEZJKIRHAMS-HVOFVXBASA-N 1 1 326.404 0.241 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC(C)(C)C1 ZINC001089420742 771113570 /nfs/dbraw/zinc/11/35/70/771113570.db2.gz OEVJIPQVXPFNMV-OAHLLOKOSA-N 1 1 342.443 0.963 20 30 ECEDMO N#CCSCC(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC001123792584 771141768 /nfs/dbraw/zinc/14/17/68/771141768.db2.gz ZFUCDDPOZUUMJN-UHFFFAOYSA-N 1 1 331.401 0.798 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC(C)(C)C1 ZINC001089448287 771208888 /nfs/dbraw/zinc/20/88/88/771208888.db2.gz NZHRLBVTDGGZTF-ZFWWWQNUSA-N 1 1 343.431 0.606 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CC[N@H+](C)CC ZINC001056401558 771226522 /nfs/dbraw/zinc/22/65/22/771226522.db2.gz HQXVRVMQGAOBAD-ZACQAIPSSA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4C#N)C[C@H]32)C1 ZINC001056407638 771236962 /nfs/dbraw/zinc/23/69/62/771236962.db2.gz WPWWWICFXHTZLH-FOCJUVANSA-N 1 1 326.404 0.241 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001056412940 771245418 /nfs/dbraw/zinc/24/54/18/771245418.db2.gz OBGMVOFRYQRTHC-BWUSGFMJSA-N 1 1 325.416 0.988 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001056413129 771245934 /nfs/dbraw/zinc/24/59/34/771245934.db2.gz PIPJEHPIFKFHMQ-FOCJUVANSA-N 1 1 326.404 0.383 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnn(C)c3C)C2)C1=O ZINC001031550598 771265350 /nfs/dbraw/zinc/26/53/50/771265350.db2.gz CKBQANFKBKCYPC-HNNXBMFYSA-N 1 1 331.420 0.177 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CCOC ZINC001056452453 771282494 /nfs/dbraw/zinc/28/24/94/771282494.db2.gz IZZPTPXWDUONOH-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CCOC ZINC001056452453 771282495 /nfs/dbraw/zinc/28/24/95/771282495.db2.gz IZZPTPXWDUONOH-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001056460389 771294966 /nfs/dbraw/zinc/29/49/66/771294966.db2.gz BQQKLTGYXRXDAV-IATRGZMQSA-N 1 1 326.404 0.383 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127472488 771300651 /nfs/dbraw/zinc/30/06/51/771300651.db2.gz NJDDDRYSXHAJPV-HIFRSBDPSA-N 1 1 346.435 0.433 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001042184762 782906213 /nfs/dbraw/zinc/90/62/13/782906213.db2.gz ZGDNSBRZKYATAC-KBPBESRZSA-N 1 1 348.447 0.673 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001056487474 771326597 /nfs/dbraw/zinc/32/65/97/771326597.db2.gz AKILFRWZZMJBAY-BRWVUGGUSA-N 1 1 349.475 0.958 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)cc1C#N ZINC001031582957 771335190 /nfs/dbraw/zinc/33/51/90/771335190.db2.gz BNCFBBVYODWRMR-OAHLLOKOSA-N 1 1 342.399 0.393 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnn(CC)n3)C2)nn1 ZINC001019482911 771346799 /nfs/dbraw/zinc/34/67/99/771346799.db2.gz CJKMZNJOSBSOSQ-LBPRGKRZSA-N 1 1 330.396 0.080 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnn(CC)c3)C2)C1=O ZINC001031587624 771348034 /nfs/dbraw/zinc/34/80/34/771348034.db2.gz NNKQTGUXKQWFOD-HNNXBMFYSA-N 1 1 331.420 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)C2CC2)C1 ZINC001019506706 771377150 /nfs/dbraw/zinc/37/71/50/771377150.db2.gz HYWKYLYZKCAYJH-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)C2CC2)C1 ZINC001019506706 771377156 /nfs/dbraw/zinc/37/71/56/771377156.db2.gz HYWKYLYZKCAYJH-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031602789 771387654 /nfs/dbraw/zinc/38/76/54/771387654.db2.gz RQAPWAKHPYFESY-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO CN(CCOCCNc1ccnc(C#N)n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001127514837 771424307 /nfs/dbraw/zinc/42/43/07/771424307.db2.gz FRTWNCJPVWEYDP-UHFFFAOYSA-N 1 1 346.435 0.141 20 30 ECEDMO CN(CCOCCNc1ccnc(C#N)n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001127517754 771443273 /nfs/dbraw/zinc/44/32/73/771443273.db2.gz RRVMRMDIZHYBIP-CQSZACIVSA-N 1 1 346.435 0.141 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001056630369 771448998 /nfs/dbraw/zinc/44/89/98/771448998.db2.gz BYPXKNPDNDVQHK-ARFHVFGLSA-N 1 1 335.448 0.590 20 30 ECEDMO C[C@H]1CCCCN1C(=O)C[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031621210 771479770 /nfs/dbraw/zinc/47/97/70/771479770.db2.gz GMOVYCSZQWXIKZ-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001056668694 771493950 /nfs/dbraw/zinc/49/39/50/771493950.db2.gz GJWLRMJVWQHHOO-GVDBMIGSSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001056720028 771552927 /nfs/dbraw/zinc/55/29/27/771552927.db2.gz SJOFACKMZULRQO-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCCO1 ZINC001019611149 771592352 /nfs/dbraw/zinc/59/23/52/771592352.db2.gz BYVUOZYMKIXQAF-VQHPVUNQSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCCO1 ZINC001019611149 771592356 /nfs/dbraw/zinc/59/23/56/771592356.db2.gz BYVUOZYMKIXQAF-VQHPVUNQSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC2CC2)CCCO1 ZINC001019611740 771593918 /nfs/dbraw/zinc/59/39/18/771593918.db2.gz OVLIBFATFOXVJL-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC2CC2)CCCO1 ZINC001019611740 771593921 /nfs/dbraw/zinc/59/39/21/771593921.db2.gz OVLIBFATFOXVJL-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001056761087 771602561 /nfs/dbraw/zinc/60/25/61/771602561.db2.gz ZABUCBJSIJJKKA-HUUCEWRRSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001056761087 771602563 /nfs/dbraw/zinc/60/25/63/771602563.db2.gz ZABUCBJSIJJKKA-HUUCEWRRSA-N 1 1 344.419 0.470 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)cc1 ZINC001042211692 782945192 /nfs/dbraw/zinc/94/51/92/782945192.db2.gz UEINPZPTLYWRDC-GOEBONIOSA-N 1 1 342.399 0.497 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3ccncc3C#N)C2)C1 ZINC001056930192 771821249 /nfs/dbraw/zinc/82/12/49/771821249.db2.gz DZXJNQBQMLVIOW-NVXWUHKLSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3ccncc3C#N)C2)C1 ZINC001056930192 771821255 /nfs/dbraw/zinc/82/12/55/771821255.db2.gz DZXJNQBQMLVIOW-NVXWUHKLSA-N 1 1 343.431 0.711 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 ZINC001057027493 771962879 /nfs/dbraw/zinc/96/28/79/771962879.db2.gz IXGGQYMHEGWVID-DZGCQCFKSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 ZINC001057027496 771963503 /nfs/dbraw/zinc/96/35/03/771963503.db2.gz IXGGQYMHEGWVID-ZFWWWQNUSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3ccnc(C#N)n3)C2)C1 ZINC001057030256 771967975 /nfs/dbraw/zinc/96/79/75/771967975.db2.gz YZMGRHXJCBXZOQ-KBPBESRZSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001057053277 772002400 /nfs/dbraw/zinc/00/24/00/772002400.db2.gz ZYRRMYDUYCUHAC-BPLDGKMQSA-N 1 1 328.420 0.726 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2cnc(F)cn2)C1 ZINC001057060793 772015543 /nfs/dbraw/zinc/01/55/43/772015543.db2.gz QYVGWCFRFNMPKZ-KBPBESRZSA-N 1 1 331.395 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2cnc(F)cn2)C1 ZINC001057060793 772015549 /nfs/dbraw/zinc/01/55/49/772015549.db2.gz QYVGWCFRFNMPKZ-KBPBESRZSA-N 1 1 331.395 0.750 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3nccnc3C#N)C2)O1 ZINC001057062777 772019829 /nfs/dbraw/zinc/01/98/29/772019829.db2.gz SSSBUFQKLMMFBP-UMVBOHGHSA-N 1 1 344.419 0.104 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3nccnc3C#N)C2)O1 ZINC001057062777 772019832 /nfs/dbraw/zinc/01/98/32/772019832.db2.gz SSSBUFQKLMMFBP-UMVBOHGHSA-N 1 1 344.419 0.104 20 30 ECEDMO Cc1cc(C#N)nc(N2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001057115175 772108787 /nfs/dbraw/zinc/10/87/87/772108787.db2.gz FPOWLTINOTZMFQ-OAHLLOKOSA-N 1 1 344.419 0.026 20 30 ECEDMO Cc1cc(C#N)nc(N2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001057115175 772108791 /nfs/dbraw/zinc/10/87/91/772108791.db2.gz FPOWLTINOTZMFQ-OAHLLOKOSA-N 1 1 344.419 0.026 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001020055113 772113093 /nfs/dbraw/zinc/11/30/93/772113093.db2.gz GBHHLTWFSRRMGO-HAQNSBGRSA-N 1 1 328.380 0.504 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]21 ZINC001042252915 782987877 /nfs/dbraw/zinc/98/78/77/782987877.db2.gz BHNVMPWYEGFSRO-KGLIPLIRSA-N 1 1 326.462 0.756 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]21 ZINC001042252915 782987878 /nfs/dbraw/zinc/98/78/78/782987878.db2.gz BHNVMPWYEGFSRO-KGLIPLIRSA-N 1 1 326.462 0.756 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001042254230 782988967 /nfs/dbraw/zinc/98/89/67/782988967.db2.gz JFFFOXRAJUILON-ZBFHGGJFSA-N 1 1 338.473 0.757 20 30 ECEDMO N#Cc1cncc(N2CCCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)n1 ZINC001057162836 772197861 /nfs/dbraw/zinc/19/78/61/772197861.db2.gz RTZWYYVXCYSWNV-SFHVURJKSA-N 1 1 340.431 0.873 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057202485 772266065 /nfs/dbraw/zinc/26/60/65/772266065.db2.gz QCWQVAMNVDKFQC-UHFFFAOYSA-N 1 1 325.376 0.592 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001057210748 772284117 /nfs/dbraw/zinc/28/41/17/772284117.db2.gz RFHBQYPHZFXKLQ-CABCVRRESA-N 1 1 325.453 0.620 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001042263459 783001525 /nfs/dbraw/zinc/00/15/25/783001525.db2.gz VAOZWWNRKPOEFE-GJZGRUSLSA-N 1 1 330.436 0.743 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057234440 772318705 /nfs/dbraw/zinc/31/87/05/772318705.db2.gz CHJMAKAKLKYGGO-HIFRSBDPSA-N 1 1 328.420 0.585 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057234652 772319644 /nfs/dbraw/zinc/31/96/44/772319644.db2.gz KSXQFKBPWLROHT-KGLIPLIRSA-N 1 1 328.420 0.585 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001042263464 783002081 /nfs/dbraw/zinc/00/20/81/783002081.db2.gz VAOZWWNRKPOEFE-LSDHHAIUSA-N 1 1 330.436 0.743 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@@H]21 ZINC001042267054 783009264 /nfs/dbraw/zinc/00/92/64/783009264.db2.gz UITNUYZZIHHLAN-HOCLYGCPSA-N 1 1 336.399 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C1CC1 ZINC001057287191 772406261 /nfs/dbraw/zinc/40/62/61/772406261.db2.gz DNRNYLAVVIABDL-ZBFHGGJFSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C1CC1 ZINC001057287191 772406262 /nfs/dbraw/zinc/40/62/62/772406262.db2.gz DNRNYLAVVIABDL-ZBFHGGJFSA-N 1 1 335.448 0.067 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(Nc2nccnc2C#N)CC1 ZINC001057335105 772480762 /nfs/dbraw/zinc/48/07/62/772480762.db2.gz TUIULODTJFWXNU-UHFFFAOYSA-N 1 1 325.376 0.956 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057426987 772601918 /nfs/dbraw/zinc/60/19/18/772601918.db2.gz MCYUPYSZLKGMJV-GXTWGEPZSA-N 1 1 328.420 0.371 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001057588129 772785122 /nfs/dbraw/zinc/78/51/22/772785122.db2.gz UDTFHENABKNZTG-MRXNPFEDSA-N 1 1 337.464 0.600 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001057599124 772795116 /nfs/dbraw/zinc/79/51/16/772795116.db2.gz RVXJRIBIPIPSIM-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](Nc2ccc(C#N)nn2)C1 ZINC001057653688 772869048 /nfs/dbraw/zinc/86/90/48/772869048.db2.gz UFOVXWRFPDTTGZ-AWEZNQCLSA-N 1 1 325.376 0.956 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001057668077 772891214 /nfs/dbraw/zinc/89/12/14/772891214.db2.gz OIXCDENIYITAFJ-KGLIPLIRSA-N 1 1 328.420 0.515 20 30 ECEDMO C=CCC(CC=C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057681947 772908389 /nfs/dbraw/zinc/90/83/89/772908389.db2.gz ZUOMCSUEHIBCJR-MRXNPFEDSA-N 1 1 337.464 0.644 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001057774878 772975552 /nfs/dbraw/zinc/97/55/52/772975552.db2.gz YTVURTLVWLEOKO-UMVBOHGHSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001057774878 772975555 /nfs/dbraw/zinc/97/55/55/772975555.db2.gz YTVURTLVWLEOKO-UMVBOHGHSA-N 1 1 344.419 0.470 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(c3ccncc3C#N)CC2)C1 ZINC001057786033 772981828 /nfs/dbraw/zinc/98/18/28/772981828.db2.gz BSIBSQZXDTXIGK-QGZVFWFLSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CCN(c3ccncc3C#N)CC2)C1 ZINC001057786033 772981832 /nfs/dbraw/zinc/98/18/32/772981832.db2.gz BSIBSQZXDTXIGK-QGZVFWFLSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001057823006 773033862 /nfs/dbraw/zinc/03/38/62/773033862.db2.gz LKGRWDQYWOLBPK-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057875869 773112644 /nfs/dbraw/zinc/11/26/44/773112644.db2.gz PFCLILIVBRDBPO-AWEZNQCLSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057875869 773112646 /nfs/dbraw/zinc/11/26/46/773112646.db2.gz PFCLILIVBRDBPO-AWEZNQCLSA-N 1 1 344.419 0.154 20 30 ECEDMO C=CCn1cccc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057902417 773161354 /nfs/dbraw/zinc/16/13/54/773161354.db2.gz KKYDXUFQHFIQDW-OAHLLOKOSA-N 1 1 348.447 0.177 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC1CCC1 ZINC001057961154 773290528 /nfs/dbraw/zinc/29/05/28/773290528.db2.gz KRDODJLXHWXZIR-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC1CCC1 ZINC001057961154 773290535 /nfs/dbraw/zinc/29/05/35/773290535.db2.gz KRDODJLXHWXZIR-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC(C)(C)C ZINC001057961356 773292045 /nfs/dbraw/zinc/29/20/45/773292045.db2.gz UHIYHTKFABLOFW-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC(C)(C)C ZINC001057961356 773292050 /nfs/dbraw/zinc/29/20/50/773292050.db2.gz UHIYHTKFABLOFW-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058157779 773658714 /nfs/dbraw/zinc/65/87/14/773658714.db2.gz HUZGBKUQBLJUOZ-HZPDHXFCSA-N 1 1 339.480 0.868 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001058158421 773661454 /nfs/dbraw/zinc/66/14/54/773661454.db2.gz YELGEQOEJYNSPH-MRXNPFEDSA-N 1 1 349.475 0.459 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058164150 773675534 /nfs/dbraw/zinc/67/55/34/773675534.db2.gz KADQASFACYNQPD-ZDUSSCGKSA-N 1 1 325.376 0.638 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001058166319 773680157 /nfs/dbraw/zinc/68/01/57/773680157.db2.gz YJGRSEKLIIHURH-KGLIPLIRSA-N 1 1 328.420 0.693 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058176765 773707848 /nfs/dbraw/zinc/70/78/48/773707848.db2.gz GJJWPJALEGUIFP-HIFRSBDPSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC001058241520 773829104 /nfs/dbraw/zinc/82/91/04/773829104.db2.gz RXNMIAMYMAIADY-ZIAGYGMSSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCOCCCC(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058255262 773853053 /nfs/dbraw/zinc/85/30/53/773853053.db2.gz JATOJMLITQZXTF-UHFFFAOYSA-N 1 1 343.468 0.248 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)c(C)n3)C2)C1 ZINC001058376027 774058725 /nfs/dbraw/zinc/05/87/25/774058725.db2.gz CFLYIABZVLTMNL-JKSUJKDBSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)c(C)n3)C2)C1 ZINC001058376027 774058732 /nfs/dbraw/zinc/05/87/32/774058732.db2.gz CFLYIABZVLTMNL-JKSUJKDBSA-N 1 1 343.431 0.677 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)C1 ZINC001040637196 783150224 /nfs/dbraw/zinc/15/02/24/783150224.db2.gz VDQQEGYLJUJUBY-GZBFAFLISA-N 1 1 326.404 0.337 20 30 ECEDMO N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)cn1 ZINC001058415195 774136395 /nfs/dbraw/zinc/13/63/95/774136395.db2.gz JVYBNSGCHPUTTJ-DYVFJYSZSA-N 1 1 326.404 0.529 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCCC1CC1 ZINC001058451474 774207111 /nfs/dbraw/zinc/20/71/11/774207111.db2.gz VDBRQGYPVITKOL-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCCC1CC1 ZINC001058451474 774207116 /nfs/dbraw/zinc/20/71/16/774207116.db2.gz VDBRQGYPVITKOL-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001058475616 774259141 /nfs/dbraw/zinc/25/91/41/774259141.db2.gz UZMFWBGVKKPLMJ-HZMVEIRTSA-N 1 1 347.459 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001058475616 774259144 /nfs/dbraw/zinc/25/91/44/774259144.db2.gz UZMFWBGVKKPLMJ-HZMVEIRTSA-N 1 1 347.459 0.067 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)no1 ZINC001058482534 774276102 /nfs/dbraw/zinc/27/61/02/774276102.db2.gz GODIVADTPVAKNT-LLVKDONJSA-N 1 1 341.375 0.407 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ncc(C#N)cc2F)C1 ZINC001058492463 774296733 /nfs/dbraw/zinc/29/67/33/774296733.db2.gz WUQVOCSYBMYNHG-CYBMUJFWSA-N 1 1 328.351 0.992 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058521730 774354449 /nfs/dbraw/zinc/35/44/49/774354449.db2.gz SBCRBAJQMSJODH-WBVHZDCISA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058521730 774354455 /nfs/dbraw/zinc/35/44/55/774354455.db2.gz SBCRBAJQMSJODH-WBVHZDCISA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)C1 ZINC001058522074 774355088 /nfs/dbraw/zinc/35/50/88/774355088.db2.gz ZQZFGMOXJLGFDX-HIFRSBDPSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)C1 ZINC001058522074 774355094 /nfs/dbraw/zinc/35/50/94/774355094.db2.gz ZQZFGMOXJLGFDX-HIFRSBDPSA-N 1 1 344.419 0.152 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001058546823 774408396 /nfs/dbraw/zinc/40/83/96/774408396.db2.gz OLGXEGKGCYTFGQ-UONOGXRCSA-N 1 1 342.447 0.947 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001058573413 774456655 /nfs/dbraw/zinc/45/66/55/774456655.db2.gz LKNXGAHGDWHPSK-VHDGCEQUSA-N 1 1 328.420 0.773 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001058573697 774457545 /nfs/dbraw/zinc/45/75/45/774457545.db2.gz UHIQPQTZCQINCC-VHDGCEQUSA-N 1 1 328.420 0.773 20 30 ECEDMO Cc1nsc(N2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)c1C#N ZINC001044779275 774603803 /nfs/dbraw/zinc/60/38/03/774603803.db2.gz YUYMWRRMRQFLBX-MCIONIFRSA-N 1 1 349.460 0.473 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1CC(F)(F)F ZINC001044962529 774772232 /nfs/dbraw/zinc/77/22/32/774772232.db2.gz MXPFBGVQZSWKAP-ZJUUUORDSA-N 1 1 345.329 0.476 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001044980177 774794413 /nfs/dbraw/zinc/79/44/13/774794413.db2.gz KUPBCRXSMIRSLZ-KBPBESRZSA-N 1 1 325.453 0.476 20 30 ECEDMO CCn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)n1 ZINC001044983501 774799537 /nfs/dbraw/zinc/79/95/37/774799537.db2.gz MFRPNGYUXDMYRS-AWEZNQCLSA-N 1 1 327.392 0.892 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001044985960 774801840 /nfs/dbraw/zinc/80/18/40/774801840.db2.gz PTQZKGDBFDPCLP-ZIAGYGMSSA-N 1 1 337.464 0.618 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001045059994 774913389 /nfs/dbraw/zinc/91/33/89/774913389.db2.gz ZUJIRFSCDXFBRP-GJZGRUSLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001044037650 775561290 /nfs/dbraw/zinc/56/12/90/775561290.db2.gz MNYKAYTZBGEUNJ-IKGGRYGDSA-N 1 1 348.447 0.368 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001070027372 790377408 /nfs/dbraw/zinc/37/74/08/790377408.db2.gz BTONRFNOHKODEY-WBVHZDCISA-N 1 1 340.431 0.858 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001045560308 775802718 /nfs/dbraw/zinc/80/27/18/775802718.db2.gz UMSAQXVRZKSULL-ZFWWWQNUSA-N 1 1 344.415 0.138 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001044189704 775884964 /nfs/dbraw/zinc/88/49/64/775884964.db2.gz ZAPFFLCLYRRMNC-GDBMZVCRSA-N 1 1 334.464 0.258 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001044192214 775889635 /nfs/dbraw/zinc/88/96/35/775889635.db2.gz WATMFNJHRIUGSS-IKGGRYGDSA-N 1 1 343.431 0.492 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2(C)CCN([C@H](C)C(N)=O)CC2)CC1 ZINC001045646339 775959874 /nfs/dbraw/zinc/95/98/74/775959874.db2.gz GVQCLJGNYYPXEJ-CQSZACIVSA-N 1 1 334.464 0.176 20 30 ECEDMO C=CCOCC(=O)NC1(CNC(=O)CC[N@H+](C)CC)CCOCC1 ZINC001070036200 790406136 /nfs/dbraw/zinc/40/61/36/790406136.db2.gz BOCIDDMKSQJISC-UHFFFAOYSA-N 1 1 341.452 0.312 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC2(C)CC2)C1 ZINC001045672133 776011687 /nfs/dbraw/zinc/01/16/87/776011687.db2.gz XYJGRWPCKQYJRO-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC2(C)CC2)C1 ZINC001045672133 776011697 /nfs/dbraw/zinc/01/16/97/776011697.db2.gz XYJGRWPCKQYJRO-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070040897 790423912 /nfs/dbraw/zinc/42/39/12/790423912.db2.gz KMRVKHFJYASANA-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070040897 790423917 /nfs/dbraw/zinc/42/39/17/790423917.db2.gz KMRVKHFJYASANA-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CN(CC3CCOCC3)C2)CC1 ZINC001044335199 776177600 /nfs/dbraw/zinc/17/76/00/776177600.db2.gz DTZHHOXDTLSNRD-UHFFFAOYSA-N 1 1 333.476 0.901 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)CC[N@H+]1C ZINC001044666100 776607452 /nfs/dbraw/zinc/60/74/52/776607452.db2.gz ILDATSMFMCIPGV-HWMZRRJGSA-N 1 1 343.431 0.349 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3nnc(C)o3)C2)C1=O ZINC001079659164 776631411 /nfs/dbraw/zinc/63/14/11/776631411.db2.gz VIEWUQKTNOZEKM-MRVWCRGKSA-N 1 1 347.419 0.144 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3nnc(C)o3)C2)C1=O ZINC001079659164 776631418 /nfs/dbraw/zinc/63/14/18/776631418.db2.gz VIEWUQKTNOZEKM-MRVWCRGKSA-N 1 1 347.419 0.144 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055641 790466371 /nfs/dbraw/zinc/46/63/71/790466371.db2.gz ISVDDERJGCHHFJ-DFBGVHRSSA-N 1 1 343.435 0.949 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055641 790466382 /nfs/dbraw/zinc/46/63/82/790466382.db2.gz ISVDDERJGCHHFJ-DFBGVHRSSA-N 1 1 343.435 0.949 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079742599 776787065 /nfs/dbraw/zinc/78/70/65/776787065.db2.gz CZNRTTGOWFRCIO-HNNXBMFYSA-N 1 1 335.448 0.426 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079742599 776787070 /nfs/dbraw/zinc/78/70/70/776787070.db2.gz CZNRTTGOWFRCIO-HNNXBMFYSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079773669 776842192 /nfs/dbraw/zinc/84/21/92/776842192.db2.gz UHLHECFSISYDHR-RDJZCZTQSA-N 1 1 349.475 0.957 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001079774414 776845001 /nfs/dbraw/zinc/84/50/01/776845001.db2.gz CFEFCOCIJUHTMF-LSDHHAIUSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079775407 776848530 /nfs/dbraw/zinc/84/85/30/776848530.db2.gz XVQHCQFHCITCRG-GDBMZVCRSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C)CCOC)C1 ZINC001079824477 776941986 /nfs/dbraw/zinc/94/19/86/776941986.db2.gz RXBONORHDFFBFR-WBVHZDCISA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C)CCOC)C1 ZINC001079824477 776941994 /nfs/dbraw/zinc/94/19/94/776941994.db2.gz RXBONORHDFFBFR-WBVHZDCISA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1C ZINC001079878003 777010137 /nfs/dbraw/zinc/01/01/37/777010137.db2.gz AIYBOJSGFGIANL-ZACQAIPSSA-N 1 1 329.448 0.417 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070072745 790509135 /nfs/dbraw/zinc/50/91/35/790509135.db2.gz SLHDQYAZFMDTAL-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070072745 790509158 /nfs/dbraw/zinc/50/91/58/790509158.db2.gz SLHDQYAZFMDTAL-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cn2ccnc2)C1 ZINC001080031537 777268454 /nfs/dbraw/zinc/26/84/54/777268454.db2.gz CSPPHQUQBFJHCD-INIZCTEOSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cn2ccnc2)C1 ZINC001080031537 777268458 /nfs/dbraw/zinc/26/84/58/777268458.db2.gz CSPPHQUQBFJHCD-INIZCTEOSA-N 1 1 343.431 0.040 20 30 ECEDMO CCN(C(=O)CC[NH+]1CCOCC1)C1CN(C(=O)C#CC(C)C)C1 ZINC001080096493 777382898 /nfs/dbraw/zinc/38/28/98/777382898.db2.gz KNXIFIMSNKVPIA-UHFFFAOYSA-N 1 1 335.448 0.427 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080142733 777458432 /nfs/dbraw/zinc/45/84/32/777458432.db2.gz GYBWBHKNWROCSP-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2CC)[C@@H](n2ccnn2)C1 ZINC001070085677 790554544 /nfs/dbraw/zinc/55/45/44/790554544.db2.gz MRHPVODUGBNALQ-KGLIPLIRSA-N 1 1 329.408 0.795 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261729 777623605 /nfs/dbraw/zinc/62/36/05/777623605.db2.gz WQVYHHKLTOAKAL-HYVNUMGLSA-N 1 1 325.412 0.611 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261729 777623614 /nfs/dbraw/zinc/62/36/14/777623614.db2.gz WQVYHHKLTOAKAL-HYVNUMGLSA-N 1 1 325.412 0.611 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080264923 777628615 /nfs/dbraw/zinc/62/86/15/777628615.db2.gz KJUZPQMBFWVXIM-WQVCFCJDSA-N 1 1 341.415 0.518 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080264923 777628620 /nfs/dbraw/zinc/62/86/20/777628620.db2.gz KJUZPQMBFWVXIM-WQVCFCJDSA-N 1 1 341.415 0.518 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001080292396 777653659 /nfs/dbraw/zinc/65/36/59/777653659.db2.gz RLBNJESIOLEMMF-RDGWLKQMSA-N 1 1 333.432 0.102 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116486 777756959 /nfs/dbraw/zinc/75/69/59/777756959.db2.gz OCZOEUSBRLMBPC-OAHLLOKOSA-N 1 1 335.448 0.396 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001080548052 778003988 /nfs/dbraw/zinc/00/39/88/778003988.db2.gz IIQBITKWDHBJNE-ZIAGYGMSSA-N 1 1 344.419 0.294 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001080557762 778024164 /nfs/dbraw/zinc/02/41/64/778024164.db2.gz DFJZILFGHJRCHM-LSDHHAIUSA-N 1 1 335.448 0.568 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001043235229 778024639 /nfs/dbraw/zinc/02/46/39/778024639.db2.gz JVZRDICTXZWJCV-CVEARBPZSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(C)onc2CC)[C@@H](n2ccnn2)C1 ZINC001070094856 790585304 /nfs/dbraw/zinc/58/53/04/790585304.db2.gz HTCXYJIJQSVHKN-CABCVRRESA-N 1 1 342.403 0.816 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)onc2CC)[C@@H](n2ccnn2)C1 ZINC001070094856 790585315 /nfs/dbraw/zinc/58/53/15/790585315.db2.gz HTCXYJIJQSVHKN-CABCVRRESA-N 1 1 342.403 0.816 20 30 ECEDMO CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001080560240 778039806 /nfs/dbraw/zinc/03/98/06/778039806.db2.gz ZJCOXSXUEFWYFB-CYBMUJFWSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1ncccc1C#N ZINC001043244658 778040144 /nfs/dbraw/zinc/04/01/44/778040144.db2.gz SDJGKEJZPPSBPX-GDBMZVCRSA-N 1 1 343.431 0.934 20 30 ECEDMO C=CCOCC(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001080563097 778046369 /nfs/dbraw/zinc/04/63/69/778046369.db2.gz ZQTSFNJLFYJTBQ-UHFFFAOYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043261801 778062451 /nfs/dbraw/zinc/06/24/51/778062451.db2.gz QZWQSULKUZFNNJ-ZIAGYGMSSA-N 1 1 337.464 0.618 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 ZINC001043433173 778325047 /nfs/dbraw/zinc/32/50/47/778325047.db2.gz RMXTZQKAZSGZAI-OAHLLOKOSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102603 790613295 /nfs/dbraw/zinc/61/32/95/790613295.db2.gz SIVDYDMXDYNNDL-OAGGEKHMSA-N 1 1 332.452 0.680 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102501 790613647 /nfs/dbraw/zinc/61/36/47/790613647.db2.gz NZWBDRGWSZTGDX-OAGGEKHMSA-N 1 1 330.436 0.127 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2n2ccnn2)CC1 ZINC001070102486 790614439 /nfs/dbraw/zinc/61/44/39/790614439.db2.gz NFQPYHQYYWDVQM-SJORKVTESA-N 1 1 344.463 0.373 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2nonc2C)[C@@H](n2ccnn2)C1 ZINC001070108111 790629200 /nfs/dbraw/zinc/62/92/00/790629200.db2.gz JXGQHLLNPRMFGU-OLZOCXBDSA-N 1 1 331.380 0.591 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043613333 778594298 /nfs/dbraw/zinc/59/42/98/778594298.db2.gz RNRJZOYWCPITRZ-UHFFFAOYSA-N 1 1 325.453 0.763 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)O2 ZINC001068587913 790642803 /nfs/dbraw/zinc/64/28/03/790642803.db2.gz YZMPHORJBJUGLE-MRXNPFEDSA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043679766 778711373 /nfs/dbraw/zinc/71/13/73/778711373.db2.gz MTJCBTRLWGKMFG-HZPDHXFCSA-N 1 1 347.459 0.352 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043774144 778851586 /nfs/dbraw/zinc/85/15/86/778851586.db2.gz UBJRQEVJEQEZDE-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)c1 ZINC001043822480 778913937 /nfs/dbraw/zinc/91/39/37/778913937.db2.gz TZZDJCYOLQQKSR-HNNXBMFYSA-N 1 1 340.427 0.735 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070132609 790711549 /nfs/dbraw/zinc/71/15/49/790711549.db2.gz LGBTYKOCLLKNSD-HZPDHXFCSA-N 1 1 349.475 0.768 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(CC)n[nH]2)C[C@@H]1n1ccnn1 ZINC001070145186 790745811 /nfs/dbraw/zinc/74/58/11/790745811.db2.gz VIMXBKZTIOTCFF-KGLIPLIRSA-N 1 1 349.826 0.971 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21 ZINC001042285240 779988363 /nfs/dbraw/zinc/98/83/63/779988363.db2.gz MMDDRYZKYVTUNH-JSGCOSHPSA-N 1 1 332.404 0.848 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]21 ZINC001042313390 780055915 /nfs/dbraw/zinc/05/59/15/780055915.db2.gz SXBVFNFGKLWFHL-NWDGAFQWSA-N 1 1 346.387 0.456 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001042344713 780107828 /nfs/dbraw/zinc/10/78/28/780107828.db2.gz ADIJHJTULBQTOJ-NWDGAFQWSA-N 1 1 340.811 0.214 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001042344713 780107834 /nfs/dbraw/zinc/10/78/34/780107834.db2.gz ADIJHJTULBQTOJ-NWDGAFQWSA-N 1 1 340.811 0.214 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@@H]21 ZINC001042351947 780121906 /nfs/dbraw/zinc/12/19/06/780121906.db2.gz VLVPPTHQWNGCMD-KBPBESRZSA-N 1 1 330.388 0.868 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C[C@@H]21 ZINC001042352545 780122969 /nfs/dbraw/zinc/12/29/69/780122969.db2.gz ZYJFBTUWNZKBIL-HOCLYGCPSA-N 1 1 328.416 0.898 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@H]21 ZINC001042376181 780165330 /nfs/dbraw/zinc/16/53/30/780165330.db2.gz OURGLNBTZXULEM-CZUORRHYSA-N 1 1 326.400 0.740 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001070159616 790787644 /nfs/dbraw/zinc/78/76/44/790787644.db2.gz KRLBBMUEVSIEGY-DFBGVHRSSA-N 1 1 343.366 0.514 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001042629830 780555160 /nfs/dbraw/zinc/55/51/60/780555160.db2.gz YYTWZPWBHQHRIS-RRCSTGOVSA-N 1 1 343.431 0.613 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001042629830 780555170 /nfs/dbraw/zinc/55/51/70/780555170.db2.gz YYTWZPWBHQHRIS-RRCSTGOVSA-N 1 1 343.431 0.613 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001042801802 780846471 /nfs/dbraw/zinc/84/64/71/780846471.db2.gz UYMIEIOYMHIWFO-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001042802676 780848375 /nfs/dbraw/zinc/84/83/75/780848375.db2.gz MYKUYLYZPDKRCT-UHFFFAOYSA-N 1 1 346.431 0.465 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)c3cc(C)[nH]n3)[C@@H]3COC[C@@H]32)CC1 ZINC001079227496 780899328 /nfs/dbraw/zinc/89/93/28/780899328.db2.gz XJMHDWIVXVTWPO-GOEBONIOSA-N 1 1 328.416 0.904 20 30 ECEDMO CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001042836078 780915922 /nfs/dbraw/zinc/91/59/22/780915922.db2.gz PWNCQOWUYAUNLT-BZUAXINKSA-N 1 1 343.431 0.533 20 30 ECEDMO CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042860741 780955169 /nfs/dbraw/zinc/95/51/69/780955169.db2.gz HUXCMHFFUUDLMS-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042862242 780956928 /nfs/dbraw/zinc/95/69/28/780956928.db2.gz ZFHXZHLOKOQICI-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@@H]2CCCO2)C1 ZINC001079373775 781043092 /nfs/dbraw/zinc/04/30/92/781043092.db2.gz MXTUZCORASKVFU-IRXDYDNUSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@@H]2CCCO2)C1 ZINC001079373775 781043097 /nfs/dbraw/zinc/04/30/97/781043097.db2.gz MXTUZCORASKVFU-IRXDYDNUSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccc(OC)nn2)C1 ZINC001042960643 781102721 /nfs/dbraw/zinc/10/27/21/781102721.db2.gz RERLOIRHPNKWDM-INIZCTEOSA-N 1 1 343.431 0.225 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccc(OC)nn2)C1 ZINC001042960643 781102722 /nfs/dbraw/zinc/10/27/22/781102722.db2.gz RERLOIRHPNKWDM-INIZCTEOSA-N 1 1 343.431 0.225 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)C1 ZINC001042969711 781116910 /nfs/dbraw/zinc/11/69/10/781116910.db2.gz ZSAKYBOQPLBITQ-AWEZNQCLSA-N 1 1 335.448 0.067 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042976968 781126621 /nfs/dbraw/zinc/12/66/21/781126621.db2.gz BCMMHUDQGCTESF-FVQBIDKESA-N 1 1 343.431 0.757 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001043012102 781178691 /nfs/dbraw/zinc/17/86/91/781178691.db2.gz VJMGIZFIEBVQPQ-DNNBLBMLSA-N 1 1 343.431 0.613 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493281 781180902 /nfs/dbraw/zinc/18/09/02/781180902.db2.gz HHLQURGTBGSXKL-DAXOMENPSA-N 1 1 326.400 0.773 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493281 781180907 /nfs/dbraw/zinc/18/09/07/781180907.db2.gz HHLQURGTBGSXKL-DAXOMENPSA-N 1 1 326.400 0.773 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043059869 781256262 /nfs/dbraw/zinc/25/62/62/781256262.db2.gz NAZNESRPHQPDNR-HUUCEWRRSA-N 1 1 349.475 0.763 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001079601305 781307253 /nfs/dbraw/zinc/30/72/53/781307253.db2.gz RRVGBSVKUXEJBI-WQVCFCJDSA-N 1 1 341.415 0.723 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001079601305 781307258 /nfs/dbraw/zinc/30/72/58/781307258.db2.gz RRVGBSVKUXEJBI-WQVCFCJDSA-N 1 1 341.415 0.723 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(Cc3cnon3)C2)C1 ZINC001041366791 781364527 /nfs/dbraw/zinc/36/45/27/781364527.db2.gz BWVDEEQGCCSZMC-FUHWJXTLSA-N 1 1 343.431 0.592 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(Cc3cnon3)C2)C1 ZINC001041366791 781364536 /nfs/dbraw/zinc/36/45/36/781364536.db2.gz BWVDEEQGCCSZMC-FUHWJXTLSA-N 1 1 343.431 0.592 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041367782 781366321 /nfs/dbraw/zinc/36/63/21/781366321.db2.gz HHAONBQPSSAHPT-GUYCJALGSA-N 1 1 334.420 0.475 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2O)CC1 ZINC001077622436 781367979 /nfs/dbraw/zinc/36/79/79/781367979.db2.gz JUYCPXCCHTWXAY-BZUAXINKSA-N 1 1 335.448 0.515 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2O)CC1 ZINC001077622436 781367984 /nfs/dbraw/zinc/36/79/84/781367984.db2.gz JUYCPXCCHTWXAY-BZUAXINKSA-N 1 1 335.448 0.515 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077625792 781375824 /nfs/dbraw/zinc/37/58/24/781375824.db2.gz UWAWVPILGRUWSB-UYFTZEKXSA-N 1 1 347.459 0.520 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]2O)CC1 ZINC001077626032 781377684 /nfs/dbraw/zinc/37/76/84/781377684.db2.gz STAUEJMBXUIITD-BRWVUGGUSA-N 1 1 348.447 0.152 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)C1 ZINC001077645454 781417956 /nfs/dbraw/zinc/41/79/56/781417956.db2.gz HIKDAWZWEVGVPK-UPJWGTAASA-N 1 1 330.375 0.928 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)C1 ZINC001077645454 781417958 /nfs/dbraw/zinc/41/79/58/781417958.db2.gz HIKDAWZWEVGVPK-UPJWGTAASA-N 1 1 330.375 0.928 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077679161 781492925 /nfs/dbraw/zinc/49/29/25/781492925.db2.gz IOJDHEZXXXYTRF-CYZMBNFOSA-N 1 1 346.269 0.398 20 30 ECEDMO C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680610 781498228 /nfs/dbraw/zinc/49/82/28/781498228.db2.gz OVLQLFNVZXZAQH-CPUCHLNUSA-N 1 1 327.444 0.936 20 30 ECEDMO C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680610 781498238 /nfs/dbraw/zinc/49/82/38/781498238.db2.gz OVLQLFNVZXZAQH-CPUCHLNUSA-N 1 1 327.444 0.936 20 30 ECEDMO C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077684099 781508031 /nfs/dbraw/zinc/50/80/31/781508031.db2.gz HWLNQNKIGZXQPP-HZPDHXFCSA-N 1 1 334.420 0.621 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)c1 ZINC001077745970 781636210 /nfs/dbraw/zinc/63/62/10/781636210.db2.gz ATESNKXYPRDOTC-HZPDHXFCSA-N 1 1 325.372 0.185 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)c1 ZINC001077745970 781636211 /nfs/dbraw/zinc/63/62/11/781636211.db2.gz ATESNKXYPRDOTC-HZPDHXFCSA-N 1 1 325.372 0.185 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3ncn(C)c3=O)C2)C1 ZINC001041510368 781667962 /nfs/dbraw/zinc/66/79/62/781667962.db2.gz WKDVSVWXJNSMNH-KRWDZBQOSA-N 1 1 333.436 0.472 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3nc4ccccn4c3=O)C2)C1 ZINC001041524946 781697584 /nfs/dbraw/zinc/69/75/84/781697584.db2.gz ZHVPQHRPOUVCBR-GOSISDBHSA-N 1 1 339.399 0.054 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001077795858 781710075 /nfs/dbraw/zinc/71/00/75/781710075.db2.gz ZUCUBXGRCNADRM-BZUAXINKSA-N 1 1 328.412 0.910 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001077795858 781710083 /nfs/dbraw/zinc/71/00/83/781710083.db2.gz ZUCUBXGRCNADRM-BZUAXINKSA-N 1 1 328.412 0.910 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001077808614 781733911 /nfs/dbraw/zinc/73/39/11/781733911.db2.gz SCMKEDNJLKEESA-BSDSXHPESA-N 1 1 328.412 0.983 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001077808614 781733917 /nfs/dbraw/zinc/73/39/17/781733917.db2.gz SCMKEDNJLKEESA-BSDSXHPESA-N 1 1 328.412 0.983 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2O)nn1 ZINC001077813073 781742172 /nfs/dbraw/zinc/74/21/72/781742172.db2.gz YRDSTKDFHOYXOT-SQWLQELKSA-N 1 1 349.435 0.198 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C2CCOCC2)C1 ZINC001077813805 781745913 /nfs/dbraw/zinc/74/59/13/781745913.db2.gz CYHZKSCOEAHFRP-GDBMZVCRSA-N 1 1 334.420 0.586 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001077823062 781760925 /nfs/dbraw/zinc/76/09/25/781760925.db2.gz SBYJEPHOYCLDGV-QBPKDAKJSA-N 1 1 348.447 0.416 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccccn3)no2)C1 ZINC001077904302 781910239 /nfs/dbraw/zinc/91/02/39/781910239.db2.gz VBBQFLKYIDXQKX-HUUCEWRRSA-N 1 1 326.356 0.535 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccccn3)no2)C1 ZINC001077904302 781910249 /nfs/dbraw/zinc/91/02/49/781910249.db2.gz VBBQFLKYIDXQKX-HUUCEWRRSA-N 1 1 326.356 0.535 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001040040570 783422534 /nfs/dbraw/zinc/42/25/34/783422534.db2.gz DPMIZFBTPAMPQL-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001040040947 783423105 /nfs/dbraw/zinc/42/31/05/783423105.db2.gz MLNRTSVNYKPUGU-CRAIPNDOSA-N 1 1 337.464 0.764 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001040786569 783437151 /nfs/dbraw/zinc/43/71/51/783437151.db2.gz IOSCIRMHCWTFNO-CWRNSKLLSA-N 1 1 340.431 0.870 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040811875 783485974 /nfs/dbraw/zinc/48/59/74/783485974.db2.gz FODFRXSDMIQRRK-MSOLQXFVSA-N 1 1 348.447 0.873 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4nccnc4C#N)C[C@H]32)C1 ZINC001040824497 783512170 /nfs/dbraw/zinc/51/21/70/783512170.db2.gz AFALWXWUXBLMSE-IJEWVQPXSA-N 1 1 340.431 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C2(CC)CC2)C1 ZINC001040827397 783518221 /nfs/dbraw/zinc/51/82/21/783518221.db2.gz PSYSASOLGXUWLP-KXBFYZLASA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C2(CC)CC2)C1 ZINC001040827397 783518224 /nfs/dbraw/zinc/51/82/24/783518224.db2.gz PSYSASOLGXUWLP-KXBFYZLASA-N 1 1 347.459 0.354 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001040098748 783537649 /nfs/dbraw/zinc/53/76/49/783537649.db2.gz DYOFBKZUGPEGOE-GOSISDBHSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070224141 783693389 /nfs/dbraw/zinc/69/33/89/783693389.db2.gz PKLYFBUOKGZMOV-ZACQAIPSSA-N 1 1 344.463 0.373 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070224141 783693394 /nfs/dbraw/zinc/69/33/94/783693394.db2.gz PKLYFBUOKGZMOV-ZACQAIPSSA-N 1 1 344.463 0.373 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(NC(=O)C[N@H+]2CCC[C@@H]2C)CCOCC1 ZINC001070252585 783746546 /nfs/dbraw/zinc/74/65/46/783746546.db2.gz KYIYPQCJTLAOOO-KBPBESRZSA-N 1 1 336.436 0.412 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)cc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001070295183 783801080 /nfs/dbraw/zinc/80/10/80/783801080.db2.gz PWVCQFXSCOLEAS-CVEARBPZSA-N 1 1 349.398 0.751 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2oncc2C)C[C@@H]1n1ccnn1 ZINC001070305459 783810673 /nfs/dbraw/zinc/81/06/73/783810673.db2.gz YQAZRCUUUBNVIO-NEPJUHHUSA-N 1 1 336.783 0.982 20 30 ECEDMO C#CCN1Cc2cnn(C3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)CC3)c2C1 ZINC001070351266 783863715 /nfs/dbraw/zinc/86/37/15/783863715.db2.gz PNWQCRONWFCBAV-OAHLLOKOSA-N 1 1 341.459 0.947 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)c3cnon3)[nH]2)[C@H](C2CC2)C1 ZINC001070352359 783866074 /nfs/dbraw/zinc/86/60/74/783866074.db2.gz SBKGREVFGLUDNM-NWDGAFQWSA-N 1 1 341.375 0.176 20 30 ECEDMO C#CC[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3cnon3)n2)[C@H](C2CC2)C1 ZINC001070352359 783866077 /nfs/dbraw/zinc/86/60/77/783866077.db2.gz SBKGREVFGLUDNM-NWDGAFQWSA-N 1 1 341.375 0.176 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3cnon3)n2)[C@H](C2CC2)C1 ZINC001070352359 783866083 /nfs/dbraw/zinc/86/60/83/783866083.db2.gz SBKGREVFGLUDNM-NWDGAFQWSA-N 1 1 341.375 0.176 20 30 ECEDMO C#CCN1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001070385243 783927654 /nfs/dbraw/zinc/92/76/54/783927654.db2.gz JHFCCRLDXDABMY-IRXDYDNUSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ncn(C)n2)C1 ZINC001070385342 783929287 /nfs/dbraw/zinc/92/92/87/783929287.db2.gz OONXYVCOUXEDOE-AWEZNQCLSA-N 1 1 340.387 0.226 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ncn(C)n2)C1 ZINC001070385342 783929295 /nfs/dbraw/zinc/92/92/95/783929295.db2.gz OONXYVCOUXEDOE-AWEZNQCLSA-N 1 1 340.387 0.226 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001070399968 783969036 /nfs/dbraw/zinc/96/90/36/783969036.db2.gz QCPGXNOVGOLBJM-GXTWGEPZSA-N 1 1 329.404 0.117 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nccnc2N)C1 ZINC001070401996 783972577 /nfs/dbraw/zinc/97/25/77/783972577.db2.gz YPHCHRLBTAZFBL-LLVKDONJSA-N 1 1 325.376 0.134 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(OC)no2)C1 ZINC001070404981 783983539 /nfs/dbraw/zinc/98/35/39/783983539.db2.gz WAXOKRJWGWSDTA-NSHDSACASA-N 1 1 329.360 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ncn(C)n2)C1 ZINC001070408704 783994595 /nfs/dbraw/zinc/99/45/95/783994595.db2.gz ZPBPFTZOCGFFBW-LBPRGKRZSA-N 1 1 327.392 0.281 20 30 ECEDMO Cn1nncc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001038207379 783996429 /nfs/dbraw/zinc/99/64/29/783996429.db2.gz IDUPNPICCUTZEI-CQSZACIVSA-N 1 1 340.387 0.722 20 30 ECEDMO Cn1nncc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001038207379 783996437 /nfs/dbraw/zinc/99/64/37/783996437.db2.gz IDUPNPICCUTZEI-CQSZACIVSA-N 1 1 340.387 0.722 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnnn2CC)C1 ZINC001070410229 783999126 /nfs/dbraw/zinc/99/91/26/783999126.db2.gz YKCPVWLNFSSFBY-CYBMUJFWSA-N 1 1 341.419 0.764 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001070414227 784013437 /nfs/dbraw/zinc/01/34/37/784013437.db2.gz ICKVBDOUWFDDKT-STQMWFEESA-N 1 1 331.420 0.527 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(OC)n(C)n2)C1 ZINC001070417108 784020256 /nfs/dbraw/zinc/02/02/56/784020256.db2.gz ULXGZPWMZMPWIP-LBPRGKRZSA-N 1 1 342.403 0.504 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccnc(OC)n2)C1 ZINC001070417164 784021652 /nfs/dbraw/zinc/02/16/52/784021652.db2.gz VNOPGFHGZCTPHO-LBPRGKRZSA-N 1 1 340.387 0.561 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001070419618 784025244 /nfs/dbraw/zinc/02/52/44/784025244.db2.gz DCXZFSCTEUIGQF-JHMDWKRSSA-N 1 1 340.427 0.872 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001070420102 784027980 /nfs/dbraw/zinc/02/79/80/784027980.db2.gz PWQOWPCNHUQJPK-GFCCVEGCSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(COC)on2)C1 ZINC001070428219 784046267 /nfs/dbraw/zinc/04/62/67/784046267.db2.gz PBZZIRPJRJQGEA-LBPRGKRZSA-N 1 1 343.387 0.897 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001070432412 784056132 /nfs/dbraw/zinc/05/61/32/784056132.db2.gz FRNOVRBAVKDALC-JSGCOSHPSA-N 1 1 329.404 0.117 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccn(C)n2)C1 ZINC001070433666 784059608 /nfs/dbraw/zinc/05/96/08/784059608.db2.gz AFZPSMIGPPGVFN-ZDUSSCGKSA-N 1 1 326.404 0.886 20 30 ECEDMO CC#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070433797 784060284 /nfs/dbraw/zinc/06/02/84/784060284.db2.gz DRYPLDBOZUYHIE-CABCVRRESA-N 1 1 329.448 0.790 20 30 ECEDMO CC#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070433797 784060294 /nfs/dbraw/zinc/06/02/94/784060294.db2.gz DRYPLDBOZUYHIE-CABCVRRESA-N 1 1 329.448 0.790 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001070434045 784061798 /nfs/dbraw/zinc/06/17/98/784061798.db2.gz LDLZITFJUGPRPK-CABCVRRESA-N 1 1 343.431 0.317 20 30 ECEDMO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccn[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070440078 784077042 /nfs/dbraw/zinc/07/70/42/784077042.db2.gz AXOQJBPNOZQOIF-ZDUSSCGKSA-N 1 1 341.419 0.954 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440453 784077534 /nfs/dbraw/zinc/07/75/34/784077534.db2.gz GFDOXCOVWJZUIX-HUUCEWRRSA-N 1 1 345.447 0.954 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)F)C1 ZINC001070901706 784080606 /nfs/dbraw/zinc/08/06/06/784080606.db2.gz INZMXNCSVLWFKG-MCIONIFRSA-N 1 1 337.395 0.864 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)F)C1 ZINC001070901706 784080610 /nfs/dbraw/zinc/08/06/10/784080610.db2.gz INZMXNCSVLWFKG-MCIONIFRSA-N 1 1 337.395 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](OC)C2CC2)C1 ZINC001070921722 784119337 /nfs/dbraw/zinc/11/93/37/784119337.db2.gz KRYYYHKVWVQJMO-IKGGRYGDSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](OC)C2CC2)C1 ZINC001070921722 784119342 /nfs/dbraw/zinc/11/93/42/784119342.db2.gz KRYYYHKVWVQJMO-IKGGRYGDSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@@H](C)COC)C1 ZINC001070921864 784119944 /nfs/dbraw/zinc/11/99/44/784119944.db2.gz QVQBMSRELDEUJY-ZACQAIPSSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@@H](C)COC)C1 ZINC001070921864 784119948 /nfs/dbraw/zinc/11/99/48/784119948.db2.gz QVQBMSRELDEUJY-ZACQAIPSSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070926648 784129910 /nfs/dbraw/zinc/12/99/10/784129910.db2.gz LWZUSYROONKHAJ-RBSFLKMASA-N 1 1 339.436 0.015 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070926648 784129915 /nfs/dbraw/zinc/12/99/15/784129915.db2.gz LWZUSYROONKHAJ-RBSFLKMASA-N 1 1 339.436 0.015 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951588 784205893 /nfs/dbraw/zinc/20/58/93/784205893.db2.gz RUYVCJSAQUFOSA-UHFFFAOYSA-N 1 1 327.388 0.174 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951588 784205897 /nfs/dbraw/zinc/20/58/97/784205897.db2.gz RUYVCJSAQUFOSA-UHFFFAOYSA-N 1 1 327.388 0.174 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1c1cn(C)cn1 ZINC001070510141 784208144 /nfs/dbraw/zinc/20/81/44/784208144.db2.gz QSDSVYQSNUNRCO-FUHWJXTLSA-N 1 1 348.410 0.899 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955060 784215210 /nfs/dbraw/zinc/21/52/10/784215210.db2.gz IJCDHHZTVMPVMS-UHFFFAOYSA-N 1 1 329.404 0.727 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955060 784215217 /nfs/dbraw/zinc/21/52/17/784215217.db2.gz IJCDHHZTVMPVMS-UHFFFAOYSA-N 1 1 329.404 0.727 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)c2ccnc(C#N)n2)CC1 ZINC001068727307 791007357 /nfs/dbraw/zinc/00/73/57/791007357.db2.gz LGXOEOCZMXPNKJ-HIFRSBDPSA-N 1 1 342.447 0.973 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccn(C)n2)CC1 ZINC001070967897 784258179 /nfs/dbraw/zinc/25/81/79/784258179.db2.gz CAZRCSJXOMVLSX-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccn(C)n2)CC1 ZINC001070968043 784258922 /nfs/dbraw/zinc/25/89/22/784258922.db2.gz LBZRMZXHZDHXEJ-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccn(C)n2)CC1 ZINC001070968043 784258928 /nfs/dbraw/zinc/25/89/28/784258928.db2.gz LBZRMZXHZDHXEJ-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCC(=O)NCC[N@@H+](C[C@H](C)O)CC1 ZINC001070968232 784259378 /nfs/dbraw/zinc/25/93/78/784259378.db2.gz VDAJABBZDUVTTB-LBPRGKRZSA-N 1 1 345.871 0.796 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCC(=O)NCC[N@H+](C[C@H](C)O)CC1 ZINC001070968232 784259384 /nfs/dbraw/zinc/25/93/84/784259384.db2.gz VDAJABBZDUVTTB-LBPRGKRZSA-N 1 1 345.871 0.796 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccnn2C)CC1 ZINC001070968316 784260741 /nfs/dbraw/zinc/26/07/41/784260741.db2.gz ZFUXRGKNQWGLAY-UHFFFAOYSA-N 1 1 345.447 0.027 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccnn2C)CC1 ZINC001070968316 784260749 /nfs/dbraw/zinc/26/07/49/784260749.db2.gz ZFUXRGKNQWGLAY-UHFFFAOYSA-N 1 1 345.447 0.027 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2nc(C)cc2C)CC1 ZINC001070978948 784301479 /nfs/dbraw/zinc/30/14/79/784301479.db2.gz KZLFSOVZZFWQMZ-UHFFFAOYSA-N 1 1 347.463 0.727 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cc(C)nn2C)CC1 ZINC001070981428 784311916 /nfs/dbraw/zinc/31/19/16/784311916.db2.gz ZWBBTRVPLWNLCG-UHFFFAOYSA-N 1 1 347.463 0.498 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cc(C)nn2C)CC1 ZINC001070981428 784311924 /nfs/dbraw/zinc/31/19/24/784311924.db2.gz ZWBBTRVPLWNLCG-UHFFFAOYSA-N 1 1 347.463 0.498 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCOC[C@@H]2C)CC1 ZINC001070996000 784355503 /nfs/dbraw/zinc/35/55/03/784355503.db2.gz DDNORXLYLREAFD-HOTGVXAUSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCOC[C@@H]2C)CC1 ZINC001070996000 784355510 /nfs/dbraw/zinc/35/55/10/784355510.db2.gz DDNORXLYLREAFD-HOTGVXAUSA-N 1 1 335.448 0.333 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC001070996052 784356285 /nfs/dbraw/zinc/35/62/85/784356285.db2.gz GBLRYPZTVHECDA-MRXNPFEDSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC001070996052 784356297 /nfs/dbraw/zinc/35/62/97/784356297.db2.gz GBLRYPZTVHECDA-MRXNPFEDSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cncs2)CC1 ZINC001071000262 784372026 /nfs/dbraw/zinc/37/20/26/784372026.db2.gz VUPZHDCIRTUGFO-UHFFFAOYSA-N 1 1 348.472 0.750 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cncs2)CC1 ZINC001071000262 784372030 /nfs/dbraw/zinc/37/20/30/784372030.db2.gz VUPZHDCIRTUGFO-UHFFFAOYSA-N 1 1 348.472 0.750 20 30 ECEDMO C=CCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001070593352 784401226 /nfs/dbraw/zinc/40/12/26/784401226.db2.gz ZLRVXHCWRPQRPR-ZIAGYGMSSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070593352 784401231 /nfs/dbraw/zinc/40/12/31/784401231.db2.gz ZLRVXHCWRPQRPR-ZIAGYGMSSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070593352 784401234 /nfs/dbraw/zinc/40/12/34/784401234.db2.gz ZLRVXHCWRPQRPR-ZIAGYGMSSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070593352 784401240 /nfs/dbraw/zinc/40/12/40/784401240.db2.gz ZLRVXHCWRPQRPR-ZIAGYGMSSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001070593352 784401269 /nfs/dbraw/zinc/40/12/69/784401269.db2.gz ZLRVXHCWRPQRPR-ZIAGYGMSSA-N 1 1 348.451 0.322 20 30 ECEDMO C#CCC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]n2)n1 ZINC001070604231 784422884 /nfs/dbraw/zinc/42/28/84/784422884.db2.gz CNVARLXOKDTSHE-QWHCGFSZSA-N 1 1 343.391 0.366 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2csnn2)n1 ZINC001070604601 784423869 /nfs/dbraw/zinc/42/38/69/784423869.db2.gz PAJFQUPDYPVMSJ-NWDGAFQWSA-N 1 1 346.416 0.709 20 30 ECEDMO C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001071082751 784525010 /nfs/dbraw/zinc/52/50/10/784525010.db2.gz MJPJJGLAYCIAQL-HIFRSBDPSA-N 1 1 334.420 0.911 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1 ZINC001070689818 784557397 /nfs/dbraw/zinc/55/73/97/784557397.db2.gz QUMPMMHGFUAZTE-RRFJBIMHSA-N 1 1 330.436 0.312 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@H](C)O2 ZINC001071134204 784577904 /nfs/dbraw/zinc/57/79/04/784577904.db2.gz OEWOZSNKZURVIK-MAUKXSAKSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001070728027 784607060 /nfs/dbraw/zinc/60/70/60/784607060.db2.gz CXMFEROLOCLPFS-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001070729159 784611426 /nfs/dbraw/zinc/61/14/26/784611426.db2.gz AYBNBZYYVHICJX-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001070730852 784617717 /nfs/dbraw/zinc/61/77/17/784617717.db2.gz VTADXVMJXQUSRY-OAHLLOKOSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc(C)o1)C[C@H](C)O2 ZINC001071165211 784639086 /nfs/dbraw/zinc/63/90/86/784639086.db2.gz ZGYQGTHLLCXRRK-GUYCJALGSA-N 1 1 332.404 0.636 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn[nH]c(=O)c1)C[C@@H](C)O2 ZINC001071177778 784669778 /nfs/dbraw/zinc/66/97/78/784669778.db2.gz GFECYGANZCFQIT-CXAGYDPISA-N 1 1 330.388 0.511 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)cn1C)C[C@@H](C)O2 ZINC001071186390 784691408 /nfs/dbraw/zinc/69/14/08/784691408.db2.gz VCMRAEZCZUQCEM-ACJLOTCBSA-N 1 1 344.415 0.063 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccnc1)C[C@@H](C)O2 ZINC001071194437 784709403 /nfs/dbraw/zinc/70/94/03/784709403.db2.gz JGZZDCLEUPPQGC-AEFFLSMTSA-N 1 1 330.432 0.988 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@H](C)O2 ZINC001071200531 784721904 /nfs/dbraw/zinc/72/19/04/784721904.db2.gz YNXRDVHKPOLTRG-KSSFIOAISA-N 1 1 346.431 0.757 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@@H](C)O2 ZINC001071209330 784740328 /nfs/dbraw/zinc/74/03/28/784740328.db2.gz IDJYPUORYHBOEN-SJKOYZFVSA-N 1 1 333.388 0.870 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@@H](C)O2 ZINC001071209462 784741456 /nfs/dbraw/zinc/74/14/56/784741456.db2.gz KNTLIPCCXICEBV-QAPCUYQASA-N 1 1 345.447 0.463 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nccn3ccnc13)C[C@@H](C)O2 ZINC001071213408 784751184 /nfs/dbraw/zinc/75/11/84/784751184.db2.gz DWUDAGBLEAYVBN-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nccn3ccnc13)C[C@@H](C)O2 ZINC001071213408 784751186 /nfs/dbraw/zinc/75/11/86/784751186.db2.gz DWUDAGBLEAYVBN-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CC=C)C3)C2)nn1 ZINC001071215750 784754297 /nfs/dbraw/zinc/75/42/97/784754297.db2.gz GQJJDQJZNUONNS-PBHICJAKSA-N 1 1 331.420 0.956 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)O[C@]3(CC[N@H+](CC#CC)C3)C2)nn1 ZINC001071216517 784756842 /nfs/dbraw/zinc/75/68/42/784756842.db2.gz RJNYZRYEYGEILT-YJBOKZPZSA-N 1 1 343.431 0.793 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@@H](C)O2 ZINC001071219791 784766030 /nfs/dbraw/zinc/76/60/30/784766030.db2.gz YHQFQGMPBZSLQA-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@@H](C)O2 ZINC001071219721 784766233 /nfs/dbraw/zinc/76/62/33/784766233.db2.gz XNUWOIQEIIXZJR-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C(C)C)nn1)C[C@H](C)O2 ZINC001071225114 784780398 /nfs/dbraw/zinc/78/03/98/784780398.db2.gz GCMMSUFTCAUHTD-YOEHRIQHSA-N 1 1 331.420 0.798 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C(C)C)nn1)C[C@H](C)O2 ZINC001071225114 784780408 /nfs/dbraw/zinc/78/04/08/784780408.db2.gz GCMMSUFTCAUHTD-YOEHRIQHSA-N 1 1 331.420 0.798 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001070900227 784808304 /nfs/dbraw/zinc/80/83/04/784808304.db2.gz FKLMKLNSLGJLIS-XQQFMLRXSA-N 1 1 341.358 0.771 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001070900227 784808315 /nfs/dbraw/zinc/80/83/15/784808315.db2.gz FKLMKLNSLGJLIS-XQQFMLRXSA-N 1 1 341.358 0.771 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)C[C@H](C)O2 ZINC001071240700 784814078 /nfs/dbraw/zinc/81/40/78/784814078.db2.gz JSLMYBVHOFXBRY-LIRRHRJNSA-N 1 1 341.411 0.724 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccnc1C)C[C@H](C)O2 ZINC001071241490 784816303 /nfs/dbraw/zinc/81/63/03/784816303.db2.gz VZTXJCFEEHXEQY-MAUKXSAKSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccnc1C)C[C@@H](C)O2 ZINC001071241491 784816365 /nfs/dbraw/zinc/81/63/65/784816365.db2.gz VZTXJCFEEHXEQY-QAPCUYQASA-N 1 1 330.432 0.907 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@@H](C)O2 ZINC001071241705 784818148 /nfs/dbraw/zinc/81/81/48/784818148.db2.gz ZJNXKVYZTGLMAQ-APWZRJJASA-N 1 1 343.427 0.563 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)C[C@H](C)O2 ZINC001071246098 784826828 /nfs/dbraw/zinc/82/68/28/784826828.db2.gz OWOSOEWGUGLLQW-KBXCAEBGSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)C[C@H](C)O2 ZINC001071246098 784826837 /nfs/dbraw/zinc/82/68/37/784826837.db2.gz OWOSOEWGUGLLQW-KBXCAEBGSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)nc1)C[C@@H](C)O2 ZINC001071248740 784832115 /nfs/dbraw/zinc/83/21/15/784832115.db2.gz RSCSZXRMNLNMQY-ACJLOTCBSA-N 1 1 342.399 0.119 20 30 ECEDMO CC#CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C(=O)C1 ZINC001071258459 784862788 /nfs/dbraw/zinc/86/27/88/784862788.db2.gz HVRINFGNLHQADK-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C(=O)C1 ZINC001071272161 784906426 /nfs/dbraw/zinc/90/64/26/784906426.db2.gz HKZRXDBRPGTLJM-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C(=O)C1 ZINC001071272494 784907985 /nfs/dbraw/zinc/90/79/85/784907985.db2.gz PTIJUHRJVZHSLW-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001071812388 785142199 /nfs/dbraw/zinc/14/21/99/785142199.db2.gz RSASWEJRXRKXKR-KGLIPLIRSA-N 1 1 325.453 0.882 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C ZINC001071519408 785239923 /nfs/dbraw/zinc/23/99/23/785239923.db2.gz XGNCBFFQUUDZOS-STQMWFEESA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCn3cncn3)C2)nn1 ZINC001071883166 785268409 /nfs/dbraw/zinc/26/84/09/785268409.db2.gz HBRHHPKCRSJUBM-ZIAGYGMSSA-N 1 1 344.423 0.339 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC001071623363 785408217 /nfs/dbraw/zinc/40/82/17/785408217.db2.gz VUOSAUSBMWTDHM-CMPLNLGQSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC001071623363 785408220 /nfs/dbraw/zinc/40/82/20/785408220.db2.gz VUOSAUSBMWTDHM-CMPLNLGQSA-N 1 1 325.390 0.143 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1C ZINC001071645004 785441006 /nfs/dbraw/zinc/44/10/06/785441006.db2.gz FXJMJCGXOWSRAO-NWDGAFQWSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1C ZINC001071645004 785441008 /nfs/dbraw/zinc/44/10/08/785441008.db2.gz FXJMJCGXOWSRAO-NWDGAFQWSA-N 1 1 339.417 0.533 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C ZINC001071685586 785520076 /nfs/dbraw/zinc/52/00/76/785520076.db2.gz DSAKMUBPIACWTE-LSDHHAIUSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@H]1C ZINC001071702047 785556138 /nfs/dbraw/zinc/55/61/38/785556138.db2.gz SGHSDFSOEAZQTQ-CHWSQXEVSA-N 1 1 325.376 0.273 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@H]1C ZINC001071702047 785556145 /nfs/dbraw/zinc/55/61/45/785556145.db2.gz SGHSDFSOEAZQTQ-CHWSQXEVSA-N 1 1 325.376 0.273 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001072048214 785572275 /nfs/dbraw/zinc/57/22/75/785572275.db2.gz JGCSNRVNCNDQTD-HOCLYGCPSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@@H]1C ZINC001071721531 785586092 /nfs/dbraw/zinc/58/60/92/785586092.db2.gz RSMQWSNIRIHEHQ-KBPBESRZSA-N 1 1 327.388 0.098 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001072097128 785663386 /nfs/dbraw/zinc/66/33/86/785663386.db2.gz IVUFMFYPNXSJED-HIFRSBDPSA-N 1 1 332.404 0.195 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001072338337 786043462 /nfs/dbraw/zinc/04/34/62/786043462.db2.gz CSQORDVEXDIROG-CABCVRRESA-N 1 1 325.453 0.882 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001072389603 786121280 /nfs/dbraw/zinc/12/12/80/786121280.db2.gz FMOIDQFOTJCMRF-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO CC#CCCCC(=O)N[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001072393459 786126735 /nfs/dbraw/zinc/12/67/35/786126735.db2.gz OCJNIRPULAQFEO-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](C)C2)cn1 ZINC001072467383 786225262 /nfs/dbraw/zinc/22/52/62/786225262.db2.gz GZBOWUDYMWWMJG-YOEHRIQHSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4ccnn4C)C3)C2)C1=O ZINC001072535741 786338341 /nfs/dbraw/zinc/33/83/41/786338341.db2.gz CRCYHFHCUNVVFI-HNNXBMFYSA-N 1 1 343.431 0.355 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)C2 ZINC001072552148 786356631 /nfs/dbraw/zinc/35/66/31/786356631.db2.gz MOXUQIJNIDLQLG-ZIAGYGMSSA-N 1 1 339.461 0.505 20 30 ECEDMO CC#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001072555119 786362887 /nfs/dbraw/zinc/36/28/87/786362887.db2.gz LNKUJOBWXGOVDX-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001074211723 786444772 /nfs/dbraw/zinc/44/47/72/786444772.db2.gz DFWHJLHFWYCGJM-KBPBESRZSA-N 1 1 335.408 0.252 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001074211723 786444775 /nfs/dbraw/zinc/44/47/75/786444775.db2.gz DFWHJLHFWYCGJM-KBPBESRZSA-N 1 1 335.408 0.252 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccn4nnnc34)C[C@@H]21 ZINC001074251766 786520247 /nfs/dbraw/zinc/52/02/47/786520247.db2.gz CCRLDKUMGGIHPJ-LSDHHAIUSA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccn4nnnc34)C[C@@H]21 ZINC001074251766 786520250 /nfs/dbraw/zinc/52/02/50/786520250.db2.gz CCRLDKUMGGIHPJ-LSDHHAIUSA-N 1 1 342.403 0.616 20 30 ECEDMO C#CCCCC(=O)N1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001073553804 786573367 /nfs/dbraw/zinc/57/33/67/786573367.db2.gz KMULCBTVJYIUPW-QGZVFWFLSA-N 1 1 346.475 0.239 20 30 ECEDMO CC#CCN1CCO[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001074281182 786580754 /nfs/dbraw/zinc/58/07/54/786580754.db2.gz FKFKDQZRWRZLKG-DLBZAZTESA-N 1 1 346.431 0.675 20 30 ECEDMO C#CCN1CCO[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001074281971 786582344 /nfs/dbraw/zinc/58/23/44/786582344.db2.gz KSMNYVOTBQAONR-HOTGVXAUSA-N 1 1 332.404 0.285 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 ZINC001074283455 786586699 /nfs/dbraw/zinc/58/66/99/786586699.db2.gz DQZUMJFQODMQDN-HUUCEWRRSA-N 1 1 336.436 0.280 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 ZINC001074283455 786586706 /nfs/dbraw/zinc/58/67/06/786586706.db2.gz DQZUMJFQODMQDN-HUUCEWRRSA-N 1 1 336.436 0.280 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)c1 ZINC001073567906 786630792 /nfs/dbraw/zinc/63/07/92/786630792.db2.gz FLIUOUFSOBSHCP-UKRRQHHQSA-N 1 1 332.404 0.744 20 30 ECEDMO C#CCN1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001074348433 786728852 /nfs/dbraw/zinc/72/88/52/786728852.db2.gz MPXVEMMBBMBTPW-HOTGVXAUSA-N 1 1 330.432 0.941 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@H]21 ZINC001074353011 786736291 /nfs/dbraw/zinc/73/62/91/786736291.db2.gz ARPGQAISBRROJS-HZPDHXFCSA-N 1 1 331.420 0.956 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@H]21 ZINC001074353011 786736294 /nfs/dbraw/zinc/73/62/94/786736294.db2.gz ARPGQAISBRROJS-HZPDHXFCSA-N 1 1 331.420 0.956 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001074357320 786746176 /nfs/dbraw/zinc/74/61/76/786746176.db2.gz YNLFDWDMYYYDKT-HUUCEWRRSA-N 1 1 349.431 0.307 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001074357320 786746185 /nfs/dbraw/zinc/74/61/85/786746185.db2.gz YNLFDWDMYYYDKT-HUUCEWRRSA-N 1 1 349.431 0.307 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001073601369 786748154 /nfs/dbraw/zinc/74/81/54/786748154.db2.gz CXRAVSCWBOPKRO-MRXNPFEDSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001073607932 786762627 /nfs/dbraw/zinc/76/26/27/786762627.db2.gz APJOCGNJPNSNFU-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001073607932 786762632 /nfs/dbraw/zinc/76/26/32/786762632.db2.gz APJOCGNJPNSNFU-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001073623995 786795357 /nfs/dbraw/zinc/79/53/57/786795357.db2.gz ZFMIPRJRZIQULT-AWEZNQCLSA-N 1 1 330.432 0.753 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001073623995 786795364 /nfs/dbraw/zinc/79/53/64/786795364.db2.gz ZFMIPRJRZIQULT-AWEZNQCLSA-N 1 1 330.432 0.753 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001073626241 786800739 /nfs/dbraw/zinc/80/07/39/786800739.db2.gz MGCTVWKHKVLYRV-WBVHZDCISA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001073626241 786800743 /nfs/dbraw/zinc/80/07/43/786800743.db2.gz MGCTVWKHKVLYRV-WBVHZDCISA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001073629600 786809631 /nfs/dbraw/zinc/80/96/31/786809631.db2.gz CMGJOJWAFWBUIJ-OAHLLOKOSA-N 1 1 331.416 0.931 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001073642867 786853585 /nfs/dbraw/zinc/85/35/85/786853585.db2.gz WQHFBRPOCUGEOS-JYJNAYRXSA-N 1 1 326.437 0.964 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001073664798 786913405 /nfs/dbraw/zinc/91/34/05/786913405.db2.gz PONWKGMILMZERS-CVEARBPZSA-N 1 1 325.453 0.490 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001073669886 786923964 /nfs/dbraw/zinc/92/39/64/786923964.db2.gz AIWUYEIXRDRKRT-ZDUSSCGKSA-N 1 1 343.387 0.508 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]21 ZINC001074418999 786925230 /nfs/dbraw/zinc/92/52/30/786925230.db2.gz CWWAMUOKNDDCMT-HZPDHXFCSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]21 ZINC001074418999 786925233 /nfs/dbraw/zinc/92/52/33/786925233.db2.gz CWWAMUOKNDDCMT-HZPDHXFCSA-N 1 1 344.415 0.672 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001073678860 786952766 /nfs/dbraw/zinc/95/27/66/786952766.db2.gz FHDKMDOJRCXURO-HNNXBMFYSA-N 1 1 347.415 0.943 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001073684680 786968414 /nfs/dbraw/zinc/96/84/14/786968414.db2.gz XLXRHEMTGCFLAA-KGLIPLIRSA-N 1 1 330.450 0.204 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001073684680 786968419 /nfs/dbraw/zinc/96/84/19/786968419.db2.gz XLXRHEMTGCFLAA-KGLIPLIRSA-N 1 1 330.450 0.204 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001073703307 787006446 /nfs/dbraw/zinc/00/64/46/787006446.db2.gz LCYVFUNCQDEFRT-CABCVRRESA-N 1 1 347.419 0.149 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001073709346 787018331 /nfs/dbraw/zinc/01/83/31/787018331.db2.gz VJCDLAHVRJOXFO-ZDUSSCGKSA-N 1 1 327.388 0.720 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001073709346 787018340 /nfs/dbraw/zinc/01/83/40/787018340.db2.gz VJCDLAHVRJOXFO-ZDUSSCGKSA-N 1 1 327.388 0.720 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001073726093 787067412 /nfs/dbraw/zinc/06/74/12/787067412.db2.gz CXJDKTFJXJWIME-CQSZACIVSA-N 1 1 330.392 0.521 20 30 ECEDMO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073740951 787094990 /nfs/dbraw/zinc/09/49/90/787094990.db2.gz MBABCOLCAWAIBC-IRXDYDNUSA-N 1 1 339.480 0.879 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073740951 787094998 /nfs/dbraw/zinc/09/49/98/787094998.db2.gz MBABCOLCAWAIBC-IRXDYDNUSA-N 1 1 339.480 0.879 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2sc(N(C)C)nc2C)C1 ZINC001073798528 787224180 /nfs/dbraw/zinc/22/41/80/787224180.db2.gz JKWQQSRISSTTPK-ZDUSSCGKSA-N 1 1 336.461 0.971 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2sc(N(C)C)nc2C)C1 ZINC001073798528 787224183 /nfs/dbraw/zinc/22/41/83/787224183.db2.gz JKWQQSRISSTTPK-ZDUSSCGKSA-N 1 1 336.461 0.971 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001073804454 787235540 /nfs/dbraw/zinc/23/55/40/787235540.db2.gz MVBOCPZJBNJQGY-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001073815925 787250502 /nfs/dbraw/zinc/25/05/02/787250502.db2.gz PHVCWGKMWODKQR-AWEZNQCLSA-N 1 1 345.403 0.832 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nc(-c3ccncn3)no2)[C@@H]1C ZINC001074568611 787282099 /nfs/dbraw/zinc/28/20/99/787282099.db2.gz UUVGRDJNXMJKGY-SRVKXCTJSA-N 1 1 341.375 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cc3ccn[nH]3)[C@H]2C)C1=O ZINC001074580795 787315374 /nfs/dbraw/zinc/31/53/74/787315374.db2.gz PKHZLQOZMPDTCQ-AEGPPILISA-N 1 1 331.420 0.318 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CCN(C(=O)C#CC(C)(C)C)CC2)C1 ZINC001074583538 787325321 /nfs/dbraw/zinc/32/53/21/787325321.db2.gz IQMLDZLCPLKQJW-OAHLLOKOSA-N 1 1 349.475 0.457 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001073848397 787349841 /nfs/dbraw/zinc/34/98/41/787349841.db2.gz VKXPOJNPMKGZAH-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001073856256 787372468 /nfs/dbraw/zinc/37/24/68/787372468.db2.gz AOJLNLQZMVQCOK-CYBMUJFWSA-N 1 1 345.403 0.832 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1C[N@H+](CC#C)CCCO1 ZINC001073860048 787382902 /nfs/dbraw/zinc/38/29/02/787382902.db2.gz ZXVRGNGLRPNLKS-HNNXBMFYSA-N 1 1 327.384 0.548 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1C[N@@H+](CC#C)CCCO1 ZINC001073860048 787382912 /nfs/dbraw/zinc/38/29/12/787382912.db2.gz ZXVRGNGLRPNLKS-HNNXBMFYSA-N 1 1 327.384 0.548 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001074618099 787410889 /nfs/dbraw/zinc/41/08/89/787410889.db2.gz WPQAOUUYVONVLD-UHFFFAOYSA-N 1 1 325.453 0.763 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001073876815 787421494 /nfs/dbraw/zinc/42/14/94/787421494.db2.gz NRMQAICXKJNIKY-CQSZACIVSA-N 1 1 342.403 0.277 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001073876815 787421497 /nfs/dbraw/zinc/42/14/97/787421497.db2.gz NRMQAICXKJNIKY-CQSZACIVSA-N 1 1 342.403 0.277 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001073893002 787456331 /nfs/dbraw/zinc/45/63/31/787456331.db2.gz HLCIFEZMBXWZOT-INIZCTEOSA-N 1 1 329.400 0.500 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001073893002 787456336 /nfs/dbraw/zinc/45/63/36/787456336.db2.gz HLCIFEZMBXWZOT-INIZCTEOSA-N 1 1 329.400 0.500 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001073896654 787467946 /nfs/dbraw/zinc/46/79/46/787467946.db2.gz XISNGASUWUTTFK-CYBMUJFWSA-N 1 1 330.388 0.025 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001073896654 787467950 /nfs/dbraw/zinc/46/79/50/787467950.db2.gz XISNGASUWUTTFK-CYBMUJFWSA-N 1 1 330.388 0.025 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001073899484 787473974 /nfs/dbraw/zinc/47/39/74/787473974.db2.gz VHRJOWPBFWJNTA-HUUCEWRRSA-N 1 1 333.436 0.542 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001074016708 787685535 /nfs/dbraw/zinc/68/55/35/787685535.db2.gz ITALJOLTQWYETD-GJZGRUSLSA-N 1 1 325.453 0.882 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4ocnc4C)C3)C2)C1=O ZINC001072586112 788377952 /nfs/dbraw/zinc/37/79/52/788377952.db2.gz MOWJVSDKKVVVRC-AWEZNQCLSA-N 1 1 344.415 0.918 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)C4=CCOCC4)C3)C2)C1=O ZINC001072650741 788506535 /nfs/dbraw/zinc/50/65/35/788506535.db2.gz VBBDADKYHNBGAS-MRXNPFEDSA-N 1 1 345.443 0.654 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cncnc4)C3)C2)C1=O ZINC001072657947 788526353 /nfs/dbraw/zinc/52/63/53/788526353.db2.gz HPKYMIPVAKKMML-OAHLLOKOSA-N 1 1 341.415 0.411 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C2)C1 ZINC001072738373 788676365 /nfs/dbraw/zinc/67/63/65/788676365.db2.gz QZYCWLZDMXOFSB-UHFFFAOYSA-N 1 1 333.432 0.882 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)Cn4ncnn4)C3)C2)cc1 ZINC001072740568 788682474 /nfs/dbraw/zinc/68/24/74/788682474.db2.gz ARVALAPYLPBCGK-UHFFFAOYSA-N 1 1 337.387 0.279 20 30 ECEDMO CC#CCN1CCC2(CN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC001072746345 788701745 /nfs/dbraw/zinc/70/17/45/788701745.db2.gz IVWDBKAPMBOADZ-UHFFFAOYSA-N 1 1 329.448 0.616 20 30 ECEDMO C=CC[N@H+]1CCC2(CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C2)C1 ZINC001072897038 789060134 /nfs/dbraw/zinc/06/01/34/789060134.db2.gz UZQNMMMSZUZUCP-UHFFFAOYSA-N 1 1 328.372 0.746 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001072917797 789109483 /nfs/dbraw/zinc/10/94/83/789109483.db2.gz BRBGXSUCVGSRHY-CQSZACIVSA-N 1 1 327.432 0.478 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C2)C1 ZINC001072920385 789115018 /nfs/dbraw/zinc/11/50/18/789115018.db2.gz SKSGBBVSSRVCEV-UHFFFAOYSA-N 1 1 325.372 0.835 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](CCN2CCNC2=O)C3)C1 ZINC001072963963 789174240 /nfs/dbraw/zinc/17/42/40/789174240.db2.gz CRWNIHLWTNQTFT-UHFFFAOYSA-N 1 1 332.448 0.902 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC001073000878 789257205 /nfs/dbraw/zinc/25/72/05/789257205.db2.gz KDNHUSZOCDDSRV-CQSZACIVSA-N 1 1 330.436 0.736 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001073027155 789299609 /nfs/dbraw/zinc/29/96/09/789299609.db2.gz DUHPJEDQESYVIV-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)c3[nH]nnc3C)CC2)C1 ZINC001075392757 789319506 /nfs/dbraw/zinc/31/95/06/789319506.db2.gz JVQYXVZTINWXEN-LSDHHAIUSA-N 1 1 331.420 0.736 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(N)=O)C3)cc1 ZINC001073041667 789331663 /nfs/dbraw/zinc/33/16/63/789331663.db2.gz RPGDMKKCCNKFRV-CQSZACIVSA-N 1 1 341.411 0.720 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CC[N@@H+](Cc2ccnn2C)C3)nn1 ZINC001073042651 789334369 /nfs/dbraw/zinc/33/43/69/789334369.db2.gz DWCYXXQODHKUQM-UHFFFAOYSA-N 1 1 341.419 0.546 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CC[N@H+](Cc2ccnn2C)C3)nn1 ZINC001073042651 789334382 /nfs/dbraw/zinc/33/43/82/789334382.db2.gz DWCYXXQODHKUQM-UHFFFAOYSA-N 1 1 341.419 0.546 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CC[N@@H+](C[C@@H]2CCOC2)C3)nn1 ZINC001073043322 789335189 /nfs/dbraw/zinc/33/51/89/789335189.db2.gz SSYLRAAOBHHBKF-AWEZNQCLSA-N 1 1 331.420 0.649 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4nc(C)c[nH]4)C3)C2)C1=O ZINC001073046041 789339603 /nfs/dbraw/zinc/33/96/03/789339603.db2.gz KWEDLVNXQISAAX-CQSZACIVSA-N 1 1 343.431 0.653 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)CC1 ZINC001075455264 789377995 /nfs/dbraw/zinc/37/79/95/789377995.db2.gz BNLARYWOJPRJEY-NVXWUHKLSA-N 1 1 346.475 0.984 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc[n+]([O-])cc1 ZINC001075505969 789424417 /nfs/dbraw/zinc/42/44/17/789424417.db2.gz RNBDRIGBAIOXFX-HOCLYGCPSA-N 1 1 344.415 0.042 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc[n+]([O-])cc1 ZINC001075505969 789424422 /nfs/dbraw/zinc/42/44/22/789424422.db2.gz RNBDRIGBAIOXFX-HOCLYGCPSA-N 1 1 344.415 0.042 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC001073110389 789455842 /nfs/dbraw/zinc/45/58/42/789455842.db2.gz AVSXZFKUBPMYNF-AWEZNQCLSA-N 1 1 331.420 0.964 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC)C2 ZINC001073152360 789535038 /nfs/dbraw/zinc/53/50/38/789535038.db2.gz BFEKVZBKLCPPJI-UHFFFAOYSA-N 1 1 325.412 0.491 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC)C2 ZINC001073152360 789535043 /nfs/dbraw/zinc/53/50/43/789535043.db2.gz BFEKVZBKLCPPJI-UHFFFAOYSA-N 1 1 325.412 0.491 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001073260365 789669288 /nfs/dbraw/zinc/66/92/88/789669288.db2.gz HWKCADPQJXMGMC-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)N1CCC(CC)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001069374460 789781890 /nfs/dbraw/zinc/78/18/90/789781890.db2.gz MYXBMDIZSRNCOC-INIZCTEOSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3ccc(CNC(N)=O)cc3)C2)C1 ZINC001073416430 789809326 /nfs/dbraw/zinc/80/93/26/789809326.db2.gz HJFXTWLXZHQKOG-UHFFFAOYSA-N 1 1 326.400 0.636 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001069732133 789993790 /nfs/dbraw/zinc/99/37/90/789993790.db2.gz FYRACDARDVGLQA-QFBILLFUSA-N 1 1 349.475 0.982 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC(Nc3cncc(C#N)n3)C2)O1 ZINC001069801402 790041391 /nfs/dbraw/zinc/04/13/91/790041391.db2.gz ACWXLTRHASAQJW-BNQIPGGESA-N 1 1 344.419 0.469 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC(Nc3cncc(C#N)n3)C2)O1 ZINC001069801402 790041395 /nfs/dbraw/zinc/04/13/95/790041395.db2.gz ACWXLTRHASAQJW-BNQIPGGESA-N 1 1 344.419 0.469 20 30 ECEDMO C#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3CCCN3C)n2)C1 ZINC001069838123 790069934 /nfs/dbraw/zinc/06/99/34/790069934.db2.gz NYEJBOGGKTZZIC-IAGOWNOFSA-N 1 1 341.459 0.594 20 30 ECEDMO C#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CCCN3C)n2)C1 ZINC001069838124 790070396 /nfs/dbraw/zinc/07/03/96/790070396.db2.gz NYEJBOGGKTZZIC-IRXDYDNUSA-N 1 1 341.459 0.594 20 30 ECEDMO C=CCCN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](C)CCO3)c2C1 ZINC001069856999 790106175 /nfs/dbraw/zinc/10/61/75/790106175.db2.gz VHVKDAWARYXUSM-MRXNPFEDSA-N 1 1 333.436 0.222 20 30 ECEDMO C=CCCN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)c2C1 ZINC001069856999 790106177 /nfs/dbraw/zinc/10/61/77/790106177.db2.gz VHVKDAWARYXUSM-MRXNPFEDSA-N 1 1 333.436 0.222 20 30 ECEDMO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907967 790176563 /nfs/dbraw/zinc/17/65/63/790176563.db2.gz YRDIDBLIEUVLMQ-GLQYFDAESA-N 1 1 343.391 0.168 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2CCC(O)CC2)[C@@H](n2ccnn2)C1 ZINC001069916464 790186388 /nfs/dbraw/zinc/18/63/88/790186388.db2.gz YAIHQMWURYIPKJ-FJBKBRRZSA-N 1 1 331.420 0.194 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@@H](n2ccnn2)C1 ZINC001069937825 790211586 /nfs/dbraw/zinc/21/15/86/790211586.db2.gz PNNVHWWDRJMMRW-KGLIPLIRSA-N 1 1 346.341 0.630 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@@H](n2ccnn2)C1 ZINC001069937825 790211589 /nfs/dbraw/zinc/21/15/89/790211589.db2.gz PNNVHWWDRJMMRW-KGLIPLIRSA-N 1 1 346.341 0.630 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@@H](n2ccnn2)C1 ZINC001069939785 790214623 /nfs/dbraw/zinc/21/46/23/790214623.db2.gz AVXGXXQUNAOUMN-KGLIPLIRSA-N 1 1 338.375 0.391 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@@H](n2ccnn2)C1 ZINC001069939785 790214629 /nfs/dbraw/zinc/21/46/29/790214629.db2.gz AVXGXXQUNAOUMN-KGLIPLIRSA-N 1 1 338.375 0.391 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC)C2)[C@@H](n2ccnn2)C1 ZINC001069941888 790217901 /nfs/dbraw/zinc/21/79/01/790217901.db2.gz CGUNGGXXJSHYKV-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001069945561 790224035 /nfs/dbraw/zinc/22/40/35/790224035.db2.gz OYVSSTZQYGTXSZ-KFWWJZLASA-N 1 1 346.435 0.112 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001069946100 790224547 /nfs/dbraw/zinc/22/45/47/790224547.db2.gz IZEKVVQESIZTKY-FMKPAKJESA-N 1 1 344.419 0.302 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)ncn2C)[C@@H](n2ccnn2)C1 ZINC001069951511 790232349 /nfs/dbraw/zinc/23/23/49/790232349.db2.gz SVJPMGUVJXBZBI-KGLIPLIRSA-N 1 1 329.408 0.551 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069953509 790234944 /nfs/dbraw/zinc/23/49/44/790234944.db2.gz IOGVTUKKBNFAGV-KGLIPLIRSA-N 1 1 328.376 0.562 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069953509 790234945 /nfs/dbraw/zinc/23/49/45/790234945.db2.gz IOGVTUKKBNFAGV-KGLIPLIRSA-N 1 1 328.376 0.562 20 30 ECEDMO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959410 790241218 /nfs/dbraw/zinc/24/12/18/790241218.db2.gz UNTVHRCSVWEGEJ-OAGGEKHMSA-N 1 1 332.452 0.680 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069962211 790246545 /nfs/dbraw/zinc/24/65/45/790246545.db2.gz KVCAEQKYELZFCR-CABCVRRESA-N 1 1 342.403 0.208 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069962211 790246550 /nfs/dbraw/zinc/24/65/50/790246550.db2.gz KVCAEQKYELZFCR-CABCVRRESA-N 1 1 342.403 0.208 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@@H](n2ccnn2)C1 ZINC001069970442 790259764 /nfs/dbraw/zinc/25/97/64/790259764.db2.gz FXGWCGIQYSONCT-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001068859814 791283177 /nfs/dbraw/zinc/28/31/77/791283177.db2.gz WHDPKEHOBZTMED-JKSUJKDBSA-N 1 1 347.459 0.616 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)C#CC(C)(C)C)CO3)C1 ZINC001068862281 791291535 /nfs/dbraw/zinc/29/15/35/791291535.db2.gz AZVBQOFNVQMUTR-HUUCEWRRSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@H]1[C@H](Nc2ccncc2C#N)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068870996 791312898 /nfs/dbraw/zinc/31/28/98/791312898.db2.gz JRTRRKXFEQJREY-GOEBONIOSA-N 1 1 343.431 0.499 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001068873798 791318389 /nfs/dbraw/zinc/31/83/89/791318389.db2.gz HRINLNLIGIZDIK-LSDHHAIUSA-N 1 1 333.432 0.228 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068874030 791320669 /nfs/dbraw/zinc/32/06/69/791320669.db2.gz HOKKCQJOKBOZDN-OAHLLOKOSA-N 1 1 344.415 0.337 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001068935933 791456995 /nfs/dbraw/zinc/45/69/95/791456995.db2.gz VSKZBDAKFITVOE-HOTGVXAUSA-N 1 1 347.459 0.474 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068940240 791467985 /nfs/dbraw/zinc/46/79/85/791467985.db2.gz LMZQLBUJPGWOKY-OAHLLOKOSA-N 1 1 333.432 0.228 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)C[C@@H]1C ZINC001069107866 791708319 /nfs/dbraw/zinc/70/83/19/791708319.db2.gz SVDDQVWHOQCCON-WCQYABFASA-N 1 1 325.376 0.377 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001066675250 791965681 /nfs/dbraw/zinc/96/56/81/791965681.db2.gz FSPREBGJBWZGHZ-GDBMZVCRSA-N 1 1 343.431 0.934 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2cc(F)ncn2)C1 ZINC001066690767 792000612 /nfs/dbraw/zinc/00/06/12/792000612.db2.gz XGVWOUOAGDRKFX-KBPBESRZSA-N 1 1 347.394 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2cc(F)ncn2)C1 ZINC001066690767 792000621 /nfs/dbraw/zinc/00/06/21/792000621.db2.gz XGVWOUOAGDRKFX-KBPBESRZSA-N 1 1 347.394 0.353 20 30 ECEDMO N#Cc1cncc(N2CC[NH+]([C@H]3CCN(C(=O)CC4CC4)C3)CC2)n1 ZINC001066696173 792011061 /nfs/dbraw/zinc/01/10/61/792011061.db2.gz BPUDJQFWPVVQSL-INIZCTEOSA-N 1 1 340.431 0.871 20 30 ECEDMO N#Cc1nccc(N2CC[NH+]([C@@H]3CCN(C(=O)CC4CC4)C3)CC2)n1 ZINC001066696886 792013228 /nfs/dbraw/zinc/01/32/28/792013228.db2.gz WLUXRUTUPNZAPL-OAHLLOKOSA-N 1 1 340.431 0.871 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cncc(C#N)n2)CC1 ZINC001066729191 792053697 /nfs/dbraw/zinc/05/36/97/792053697.db2.gz HUWNAPVEKIRYNY-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cncc(C#N)n2)CC1 ZINC001066729194 792053934 /nfs/dbraw/zinc/05/39/34/792053934.db2.gz HUWNAPVEKIRYNY-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066735942 792067780 /nfs/dbraw/zinc/06/77/80/792067780.db2.gz ARPCPUVLQWHUTK-RHSMWYFYSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066735942 792067794 /nfs/dbraw/zinc/06/77/94/792067794.db2.gz ARPCPUVLQWHUTK-RHSMWYFYSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066736143 792069401 /nfs/dbraw/zinc/06/94/01/792069401.db2.gz GGNZZMYGEAHLTQ-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066736143 792069415 /nfs/dbraw/zinc/06/94/15/792069415.db2.gz GGNZZMYGEAHLTQ-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(Nc3cncc(C#N)n3)C2)C1 ZINC001066905922 792338681 /nfs/dbraw/zinc/33/86/81/792338681.db2.gz FWXXBDZHPLZQOF-SUMWQHHRSA-N 1 1 344.419 0.065 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CC(CNc3ccc(C#N)nn3)C2)C1 ZINC001067856959 792381941 /nfs/dbraw/zinc/38/19/41/792381941.db2.gz UUFHNJQPJCXRQT-OPFPJEHXSA-N 1 1 328.420 0.997 20 30 ECEDMO N#Cc1nccc(NCC2CC(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC001067859300 792384730 /nfs/dbraw/zinc/38/47/30/792384730.db2.gz LZZBYHSNAQTSBG-JRSKDTKFSA-N 1 1 340.431 0.563 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067866025 792392291 /nfs/dbraw/zinc/39/22/91/792392291.db2.gz TUJFNMVSIUKIQD-NRXISQOPSA-N 1 1 342.447 0.950 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1C ZINC001067961168 792507794 /nfs/dbraw/zinc/50/77/94/792507794.db2.gz NZNQLVGFVFLMTK-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1ccon1 ZINC001067044202 792611363 /nfs/dbraw/zinc/61/13/63/792611363.db2.gz OSXYUMMFNYJYQK-INIZCTEOSA-N 1 1 346.431 0.622 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1ccon1 ZINC001067044202 792611365 /nfs/dbraw/zinc/61/13/65/792611365.db2.gz OSXYUMMFNYJYQK-INIZCTEOSA-N 1 1 346.431 0.622 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(c2cncc(C#N)n2)CC1(C)C ZINC001068098660 792668167 /nfs/dbraw/zinc/66/81/67/792668167.db2.gz GOHJQDBETOLDEN-KGLIPLIRSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC1(C)C ZINC001068098596 792668211 /nfs/dbraw/zinc/66/82/11/792668211.db2.gz DVAZFKRAMRASLC-OLZOCXBDSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(c3ccc(C#N)nn3)CC2(C)C)C1 ZINC001068113430 792692961 /nfs/dbraw/zinc/69/29/61/792692961.db2.gz JHEUOUYHYAGECH-JSGCOSHPSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1ccncc1C#N ZINC001067117140 792715334 /nfs/dbraw/zinc/71/53/34/792715334.db2.gz FIKQJWZFSKRPTK-WMLDXEAASA-N 1 1 343.431 0.356 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001068163054 792766456 /nfs/dbraw/zinc/76/64/56/792766456.db2.gz XULXCWHLOIYSCA-LVQVYYBASA-N 1 1 341.415 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001068163054 792766464 /nfs/dbraw/zinc/76/64/64/792766464.db2.gz XULXCWHLOIYSCA-LVQVYYBASA-N 1 1 341.415 0.082 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001068174814 792786085 /nfs/dbraw/zinc/78/60/85/792786085.db2.gz GYRZXMLVXAFFRF-QCEMKRCNSA-N 1 1 340.431 0.407 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067196461 792805665 /nfs/dbraw/zinc/80/56/65/792805665.db2.gz SBJIBJIORVVVJF-KGLIPLIRSA-N 1 1 342.447 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C)nn3)C[C@H]21 ZINC001068208610 792830725 /nfs/dbraw/zinc/83/07/25/792830725.db2.gz OYXRUFXFESZNPW-NXOAAHMSSA-N 1 1 339.443 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C)nn3)C[C@H]21 ZINC001068208610 792830736 /nfs/dbraw/zinc/83/07/36/792830736.db2.gz OYXRUFXFESZNPW-NXOAAHMSSA-N 1 1 339.443 0.681 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3cncc(C#N)n3)CC2)C1 ZINC001067247752 792884143 /nfs/dbraw/zinc/88/41/43/792884143.db2.gz QMJBLBDEDQZWJH-AWEZNQCLSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3cncc(C#N)n3)CC2)C1 ZINC001067247752 792884153 /nfs/dbraw/zinc/88/41/53/792884153.db2.gz QMJBLBDEDQZWJH-AWEZNQCLSA-N 1 1 344.419 0.472 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(C)=O)CC1 ZINC001068246710 792929272 /nfs/dbraw/zinc/92/92/72/792929272.db2.gz FMHQUKWPTALHQX-CALCHBBNSA-N 1 1 335.448 0.875 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ncc[nH]1 ZINC001067359927 793036528 /nfs/dbraw/zinc/03/65/28/793036528.db2.gz LYJQMUQHLXJNGA-AWEZNQCLSA-N 1 1 331.420 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ncc[nH]1 ZINC001067359927 793036540 /nfs/dbraw/zinc/03/65/40/793036540.db2.gz LYJQMUQHLXJNGA-AWEZNQCLSA-N 1 1 331.420 0.428 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1C ZINC001067420779 793129525 /nfs/dbraw/zinc/12/95/25/793129525.db2.gz NTYCOUKBXFKCCH-JSGCOSHPSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@H+](C)CCC ZINC001067427379 793141079 /nfs/dbraw/zinc/14/10/79/793141079.db2.gz YUTIZAFURKMCIS-OAHLLOKOSA-N 1 1 325.453 0.673 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001068399060 793216396 /nfs/dbraw/zinc/21/63/96/793216396.db2.gz OSKKOKBSNNDVCC-JKSUJKDBSA-N 1 1 349.475 0.980 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCOC3(CN(C(=O)C#CC(C)(C)C)C3)C2)C1 ZINC001068399150 793217540 /nfs/dbraw/zinc/21/75/40/793217540.db2.gz RRFZFMBUKNALPX-OAHLLOKOSA-N 1 1 347.459 0.427 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC001068410243 793254422 /nfs/dbraw/zinc/25/44/22/793254422.db2.gz IZLXSKUZQSRQFE-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068461571 793351478 /nfs/dbraw/zinc/35/14/78/793351478.db2.gz RDRXOYQSUVBUFC-UHFFFAOYSA-N 1 1 335.448 0.427 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CC[NH2+]Cc1cc(C)n(C)n1 ZINC001267436482 837413995 /nfs/dbraw/zinc/41/39/95/837413995.db2.gz GKQFNFOZWDFJJQ-MRXNPFEDSA-N 1 1 335.452 0.747 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001267466018 837471426 /nfs/dbraw/zinc/47/14/26/837471426.db2.gz KZFJQKVQJCYZQL-CYBMUJFWSA-N 1 1 339.417 0.487 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001267466018 837471432 /nfs/dbraw/zinc/47/14/32/837471432.db2.gz KZFJQKVQJCYZQL-CYBMUJFWSA-N 1 1 339.417 0.487 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)n2cccn2)C1 ZINC001267507063 837593404 /nfs/dbraw/zinc/59/34/04/837593404.db2.gz AMHKVBYNSPWSJS-LSDHHAIUSA-N 1 1 333.436 0.575 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cc(C)cn2)C1 ZINC001267510021 837599588 /nfs/dbraw/zinc/59/95/88/837599588.db2.gz ZUPNQYRPZFMHPP-HZPDHXFCSA-N 1 1 347.463 0.710 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccncc2F)C1 ZINC001267513510 837606397 /nfs/dbraw/zinc/60/63/97/837606397.db2.gz KOUYUYJBBTYMEG-UONOGXRCSA-N 1 1 346.406 0.800 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001267530550 837703598 /nfs/dbraw/zinc/70/35/98/837703598.db2.gz BYQWPKQEFDBLSA-OCCSQVGLSA-N 1 1 348.451 0.175 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001267530550 837703608 /nfs/dbraw/zinc/70/36/08/837703608.db2.gz BYQWPKQEFDBLSA-OCCSQVGLSA-N 1 1 348.451 0.175 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001267530550 837703617 /nfs/dbraw/zinc/70/36/17/837703617.db2.gz BYQWPKQEFDBLSA-OCCSQVGLSA-N 1 1 348.451 0.175 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267543341 837730848 /nfs/dbraw/zinc/73/08/48/837730848.db2.gz FVIXXENZMOWUTL-OAHLLOKOSA-N 1 1 339.403 0.617 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267543341 837730854 /nfs/dbraw/zinc/73/08/54/837730854.db2.gz FVIXXENZMOWUTL-OAHLLOKOSA-N 1 1 339.403 0.617 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267546702 837740672 /nfs/dbraw/zinc/74/06/72/837740672.db2.gz CHIXQVRSBAQILW-AWEZNQCLSA-N 1 1 331.420 0.015 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267546702 837740681 /nfs/dbraw/zinc/74/06/81/837740681.db2.gz CHIXQVRSBAQILW-AWEZNQCLSA-N 1 1 331.420 0.015 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267547781 837743232 /nfs/dbraw/zinc/74/32/32/837743232.db2.gz RANDGAWMSXTKOR-LSDHHAIUSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267547781 837743237 /nfs/dbraw/zinc/74/32/37/837743237.db2.gz RANDGAWMSXTKOR-LSDHHAIUSA-N 1 1 345.447 0.403 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2ccoc2CC(N)=O)C1 ZINC001267560916 837770553 /nfs/dbraw/zinc/77/05/53/837770553.db2.gz CINUMKLCAVEZLW-AWEZNQCLSA-N 1 1 347.415 0.399 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2[nH]c(C)nc2C)C1 ZINC001267565163 837780389 /nfs/dbraw/zinc/78/03/89/837780389.db2.gz KCSAPVYPDRBDOK-HIFRSBDPSA-N 1 1 345.447 0.606 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001267566790 837785749 /nfs/dbraw/zinc/78/57/49/837785749.db2.gz HJRPOBNMVUFKBW-HOCLYGCPSA-N 1 1 341.477 0.310 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](CCNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001267567138 837786151 /nfs/dbraw/zinc/78/61/51/837786151.db2.gz LPCXYUKOPQKWIZ-CQSZACIVSA-N 1 1 344.419 0.295 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cnoc2CC)C1 ZINC001267567792 837788702 /nfs/dbraw/zinc/78/87/02/837788702.db2.gz PBZANMZPGWLGCV-CYBMUJFWSA-N 1 1 332.404 0.428 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CCNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001267569669 837798326 /nfs/dbraw/zinc/79/83/26/837798326.db2.gz YZEPSARCFWNWKD-CABCVRRESA-N 1 1 331.420 0.390 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cnoc2CC)C1 ZINC001267575887 837827882 /nfs/dbraw/zinc/82/78/82/837827882.db2.gz MAQUAUZBHBQXJU-CYBMUJFWSA-N 1 1 334.420 0.981 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)Cn2ccc(C)cc2=O)C1 ZINC001267576067 837829123 /nfs/dbraw/zinc/82/91/23/837829123.db2.gz NJTNOSHKPCOVHT-KRWDZBQOSA-N 1 1 345.443 0.635 20 30 ECEDMO CCc1c(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)ccn1C ZINC001267576603 837832537 /nfs/dbraw/zinc/83/25/37/837832537.db2.gz UFZLJTZXSILTLQ-CQSZACIVSA-N 1 1 345.447 0.669 20 30 ECEDMO C#CCCCC(=O)NCC[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001266270421 835590971 /nfs/dbraw/zinc/59/09/71/835590971.db2.gz RLSFDGXSBUDSRD-CQSZACIVSA-N 1 1 329.466 0.119 20 30 ECEDMO C=C(Cl)CN1CC[NH+](CCCNC(=O)[C@]2(C)CCNC2=O)CC1 ZINC001266271153 835591711 /nfs/dbraw/zinc/59/17/11/835591711.db2.gz HKLAVJVFQFSAEC-INIZCTEOSA-N 1 1 342.871 0.389 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)[C@H](C)n1nnnc1C(C)(C)C ZINC001266280482 835608057 /nfs/dbraw/zinc/60/80/57/835608057.db2.gz GXBHGQKAWHNOSK-ZDUSSCGKSA-N 1 1 336.440 0.229 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccnc2ccnn21 ZINC001266282935 835612431 /nfs/dbraw/zinc/61/24/31/835612431.db2.gz XVRRQOUIJKWZEK-GFCCVEGCSA-N 1 1 330.392 0.082 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccnc2ccnn21 ZINC001266282935 835612435 /nfs/dbraw/zinc/61/24/35/835612435.db2.gz XVRRQOUIJKWZEK-GFCCVEGCSA-N 1 1 330.392 0.082 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cn(CC(F)F)nc2C)CC1 ZINC001266288383 835631690 /nfs/dbraw/zinc/63/16/90/835631690.db2.gz WMGITOCWPYFLOL-UHFFFAOYSA-N 1 1 339.390 0.437 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccnc(OC)c2)C1 ZINC001266328025 835709058 /nfs/dbraw/zinc/70/90/58/835709058.db2.gz RAEFXJWARLLEME-JSGCOSHPSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccnc(OC)c2)C1 ZINC001266328025 835709066 /nfs/dbraw/zinc/70/90/66/835709066.db2.gz RAEFXJWARLLEME-JSGCOSHPSA-N 1 1 332.404 0.585 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001266330434 835711749 /nfs/dbraw/zinc/71/17/49/835711749.db2.gz DHCLACVQYDPJJA-GXTWGEPZSA-N 1 1 348.472 0.631 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001266330434 835711753 /nfs/dbraw/zinc/71/17/53/835711753.db2.gz DHCLACVQYDPJJA-GXTWGEPZSA-N 1 1 348.472 0.631 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001266336161 835719623 /nfs/dbraw/zinc/71/96/23/835719623.db2.gz KVHRQVMKNWLNQZ-SJLPKXTDSA-N 1 1 349.475 0.470 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001266336161 835719629 /nfs/dbraw/zinc/71/96/29/835719629.db2.gz KVHRQVMKNWLNQZ-SJLPKXTDSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(OC)c(C)c1 ZINC001266337900 835722488 /nfs/dbraw/zinc/72/24/88/835722488.db2.gz SLBHVHPWAVLDHZ-CQSZACIVSA-N 1 1 331.416 0.803 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(OC)c(C)c1 ZINC001266337900 835722490 /nfs/dbraw/zinc/72/24/90/835722490.db2.gz SLBHVHPWAVLDHZ-CQSZACIVSA-N 1 1 331.416 0.803 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cn(C)nc2Cl)C1=O ZINC001266347781 835740451 /nfs/dbraw/zinc/74/04/51/835740451.db2.gz RDUXFVQQPNZUID-LBPRGKRZSA-N 1 1 339.827 0.522 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cn(C)nc2Cl)C1=O ZINC001266347781 835740455 /nfs/dbraw/zinc/74/04/55/835740455.db2.gz RDUXFVQQPNZUID-LBPRGKRZSA-N 1 1 339.827 0.522 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H](C)Oc2ccccn2)C1=O ZINC001266350971 835748439 /nfs/dbraw/zinc/74/84/39/835748439.db2.gz WSWQCZIZFRBDBU-GJZGRUSLSA-N 1 1 346.431 0.684 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@H](C)Oc2ccccn2)C1=O ZINC001266350971 835748451 /nfs/dbraw/zinc/74/84/51/835748451.db2.gz WSWQCZIZFRBDBU-GJZGRUSLSA-N 1 1 346.431 0.684 20 30 ECEDMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CC#Cc1ccccc1 ZINC001266362432 835774218 /nfs/dbraw/zinc/77/42/18/835774218.db2.gz IESFKTCUPNCVRO-ZDUSSCGKSA-N 1 1 330.388 0.060 20 30 ECEDMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CC#Cc1ccccc1 ZINC001266362432 835774224 /nfs/dbraw/zinc/77/42/24/835774224.db2.gz IESFKTCUPNCVRO-ZDUSSCGKSA-N 1 1 330.388 0.060 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1ccncc1 ZINC001266371706 835784987 /nfs/dbraw/zinc/78/49/87/835784987.db2.gz HUNDTMZNOGPMMS-UHFFFAOYSA-N 1 1 333.392 0.145 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1ccncc1 ZINC001266371706 835784997 /nfs/dbraw/zinc/78/49/97/835784997.db2.gz HUNDTMZNOGPMMS-UHFFFAOYSA-N 1 1 333.392 0.145 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1cc[nH]c1C ZINC001266383884 835794578 /nfs/dbraw/zinc/79/45/78/835794578.db2.gz ZFBMOJPCEXUCEB-UHFFFAOYSA-N 1 1 335.408 0.387 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1cc[nH]c1C ZINC001266383884 835794589 /nfs/dbraw/zinc/79/45/89/835794589.db2.gz ZFBMOJPCEXUCEB-UHFFFAOYSA-N 1 1 335.408 0.387 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001266390878 835799647 /nfs/dbraw/zinc/79/96/47/835799647.db2.gz QAJWSSJJMBESCB-QGZVFWFLSA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001266390878 835799656 /nfs/dbraw/zinc/79/96/56/835799656.db2.gz QAJWSSJJMBESCB-QGZVFWFLSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1cc(F)c[nH]1 ZINC001266403170 835810696 /nfs/dbraw/zinc/81/06/96/835810696.db2.gz HAEGJXAWGKOUCT-UHFFFAOYSA-N 1 1 339.371 0.217 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1cc(F)c[nH]1 ZINC001266403170 835810703 /nfs/dbraw/zinc/81/07/03/835810703.db2.gz HAEGJXAWGKOUCT-UHFFFAOYSA-N 1 1 339.371 0.217 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cccc2c1OCC2 ZINC001266418319 835823399 /nfs/dbraw/zinc/82/33/99/835823399.db2.gz VEELTQFTTCTBIU-CQSZACIVSA-N 1 1 343.427 0.811 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cccc2c1OCC2 ZINC001266418319 835823404 /nfs/dbraw/zinc/82/34/04/835823404.db2.gz VEELTQFTTCTBIU-CQSZACIVSA-N 1 1 343.427 0.811 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)n2cccn2)C1 ZINC001266448976 835852667 /nfs/dbraw/zinc/85/26/67/835852667.db2.gz WZVZJVKDPIINFS-JKSUJKDBSA-N 1 1 345.447 0.364 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 ZINC001266452756 835856778 /nfs/dbraw/zinc/85/67/78/835856778.db2.gz QPXCSUDLNVPRMZ-MRXNPFEDSA-N 1 1 332.448 0.783 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CCC[N@H+]1CCCN1C(=O)CNC1=O ZINC001266461032 835862437 /nfs/dbraw/zinc/86/24/37/835862437.db2.gz ICMCOIXFPFEFQT-AWEZNQCLSA-N 1 1 334.420 0.168 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001266468549 835871003 /nfs/dbraw/zinc/87/10/03/835871003.db2.gz SIHGSKATIOLJTR-OLZOCXBDSA-N 1 1 347.419 0.141 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001266468549 835871011 /nfs/dbraw/zinc/87/10/11/835871011.db2.gz SIHGSKATIOLJTR-OLZOCXBDSA-N 1 1 347.419 0.141 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001266469344 835871479 /nfs/dbraw/zinc/87/14/79/835871479.db2.gz JYEWGAYBZHCWAK-HNNXBMFYSA-N 1 1 343.493 0.462 20 30 ECEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001266469586 835871958 /nfs/dbraw/zinc/87/19/58/835871958.db2.gz OOQDRPUUEDJVIZ-AWEZNQCLSA-N 1 1 344.419 0.247 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCNS(C)(=O)=O)cc1 ZINC001266474302 835877654 /nfs/dbraw/zinc/87/76/54/835877654.db2.gz LBSDPFACHQFZCS-INIZCTEOSA-N 1 1 349.456 0.411 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCNS(C)(=O)=O)cc1 ZINC001266474302 835877662 /nfs/dbraw/zinc/87/76/62/835877662.db2.gz LBSDPFACHQFZCS-INIZCTEOSA-N 1 1 349.456 0.411 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCC(OC)CC1 ZINC001266477290 835878462 /nfs/dbraw/zinc/87/84/62/835878462.db2.gz NAQZVYCDWNCWCJ-HWOWSKLDSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC(OC)CC1 ZINC001266477290 835878470 /nfs/dbraw/zinc/87/84/70/835878470.db2.gz NAQZVYCDWNCWCJ-HWOWSKLDSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ncccc1F ZINC001266476752 835878979 /nfs/dbraw/zinc/87/89/79/835878979.db2.gz BUZWJXPAPOFYOZ-CYBMUJFWSA-N 1 1 334.395 0.646 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ncccc1F ZINC001266476752 835878985 /nfs/dbraw/zinc/87/89/85/835878985.db2.gz BUZWJXPAPOFYOZ-CYBMUJFWSA-N 1 1 334.395 0.646 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001266479768 835880864 /nfs/dbraw/zinc/88/08/64/835880864.db2.gz CLMRMZLLGVQIPV-NEPJUHHUSA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001266479768 835880868 /nfs/dbraw/zinc/88/08/68/835880868.db2.gz CLMRMZLLGVQIPV-NEPJUHHUSA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001266482673 835883120 /nfs/dbraw/zinc/88/31/20/835883120.db2.gz GLYYUYQLHFKKGR-CYBMUJFWSA-N 1 1 332.404 0.592 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001266482673 835883125 /nfs/dbraw/zinc/88/31/25/835883125.db2.gz GLYYUYQLHFKKGR-CYBMUJFWSA-N 1 1 332.404 0.592 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)NS(=O)(=O)CC ZINC001266486799 835886338 /nfs/dbraw/zinc/88/63/38/835886338.db2.gz UYWKHXSPQRWNIY-MCIONIFRSA-N 1 1 329.466 0.566 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)NS(=O)(=O)CC ZINC001266486799 835886345 /nfs/dbraw/zinc/88/63/45/835886345.db2.gz UYWKHXSPQRWNIY-MCIONIFRSA-N 1 1 329.466 0.566 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@H+](Cc2ccnc(OC)n2)C1 ZINC001266510710 835917138 /nfs/dbraw/zinc/91/71/38/835917138.db2.gz FAOZRDFOQIPPIO-DYVFJYSZSA-N 1 1 334.420 0.750 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC001266513835 835924373 /nfs/dbraw/zinc/92/43/73/835924373.db2.gz HRGHDPYCEGLJCX-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001266519881 835932329 /nfs/dbraw/zinc/93/23/29/835932329.db2.gz AXXLZBLAIJNTOY-CQSZACIVSA-N 1 1 347.463 0.992 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001266520530 835934373 /nfs/dbraw/zinc/93/43/73/835934373.db2.gz OPDMBIOUALXQKO-JKSUJKDBSA-N 1 1 349.479 0.185 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001266520528 835934721 /nfs/dbraw/zinc/93/47/21/835934721.db2.gz OPDMBIOUALXQKO-HOTGVXAUSA-N 1 1 349.479 0.185 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001266526758 835941681 /nfs/dbraw/zinc/94/16/81/835941681.db2.gz ZLPWBTQTRBVEED-ZDUSSCGKSA-N 1 1 331.482 0.576 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2conc2C)C1 ZINC001266528098 835943746 /nfs/dbraw/zinc/94/37/46/835943746.db2.gz JJYRFMWEECBXMU-GFCCVEGCSA-N 1 1 349.391 0.047 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2conc2C)C1 ZINC001266528098 835943754 /nfs/dbraw/zinc/94/37/54/835943754.db2.gz JJYRFMWEECBXMU-GFCCVEGCSA-N 1 1 349.391 0.047 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001266534213 835952623 /nfs/dbraw/zinc/95/26/23/835952623.db2.gz XETOAVHDXNNFBN-RISCZKNCSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001266534213 835952616 /nfs/dbraw/zinc/95/26/16/835952616.db2.gz XETOAVHDXNNFBN-RISCZKNCSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001266537091 835955292 /nfs/dbraw/zinc/95/52/92/835955292.db2.gz DXNINNNKLWAEDF-RDJZCZTQSA-N 1 1 347.463 0.829 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001266545981 835967793 /nfs/dbraw/zinc/96/77/93/835967793.db2.gz SEKPFTYCFDQRKO-SNVBAGLBSA-N 1 1 340.330 0.909 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001266545981 835967797 /nfs/dbraw/zinc/96/77/97/835967797.db2.gz SEKPFTYCFDQRKO-SNVBAGLBSA-N 1 1 340.330 0.909 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)C2)cn1 ZINC001266546809 835968730 /nfs/dbraw/zinc/96/87/30/835968730.db2.gz XKXBOFRMCFANPH-CQSZACIVSA-N 1 1 349.456 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CCCS(C)(=O)=O)C2)cn1 ZINC001266546809 835968737 /nfs/dbraw/zinc/96/87/37/835968737.db2.gz XKXBOFRMCFANPH-CQSZACIVSA-N 1 1 349.456 0.549 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2nc(C)c(C)s2)C1 ZINC001266549124 835972123 /nfs/dbraw/zinc/97/21/23/835972123.db2.gz OCCKUUNBORCILN-OCCSQVGLSA-N 1 1 348.472 0.950 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001266549560 835973376 /nfs/dbraw/zinc/97/33/76/835973376.db2.gz YAGARSDVHREYQY-HUUCEWRRSA-N 1 1 347.463 0.698 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)COc2ccccc2F)C1 ZINC001266549519 835973737 /nfs/dbraw/zinc/97/37/37/835973737.db2.gz XDQDBSAZIBTIEC-CQSZACIVSA-N 1 1 349.406 0.945 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@](C)(NC(C)=O)C(C)C)C1 ZINC001266551249 835976938 /nfs/dbraw/zinc/97/69/38/835976938.db2.gz NZFHHPNLRRFFDG-SJLPKXTDSA-N 1 1 337.464 0.625 20 30 ECEDMO C=CCCOCC(=O)NC[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001266551203 835977437 /nfs/dbraw/zinc/97/74/37/835977437.db2.gz NLZRAUNRDAEAHD-GJZGRUSLSA-N 1 1 344.477 0.452 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1cc2n(n1)CCCC2 ZINC001266565150 835993783 /nfs/dbraw/zinc/99/37/83/835993783.db2.gz NZSLHBIPKCYUBM-UHFFFAOYSA-N 1 1 345.447 0.411 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1cc2n(n1)CCCC2 ZINC001266565150 835993786 /nfs/dbraw/zinc/99/37/86/835993786.db2.gz NZSLHBIPKCYUBM-UHFFFAOYSA-N 1 1 345.447 0.411 20 30 ECEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001266572967 836003623 /nfs/dbraw/zinc/00/36/23/836003623.db2.gz CNDRYLNGYFSXTC-UHFFFAOYSA-N 1 1 336.436 0.492 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001266579291 836008978 /nfs/dbraw/zinc/00/89/78/836008978.db2.gz LXQXJOGTBXDSJG-MRXNPFEDSA-N 1 1 325.453 0.185 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCNC(=O)C1(C)CC1)C1CC1 ZINC001266591882 836023189 /nfs/dbraw/zinc/02/31/89/836023189.db2.gz ANSXHSPQQLDFOD-GFCCVEGCSA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCNC(=O)C1(C)CC1)C1CC1 ZINC001266591882 836023199 /nfs/dbraw/zinc/02/31/99/836023199.db2.gz ANSXHSPQQLDFOD-GFCCVEGCSA-N 1 1 336.436 0.767 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1snnc1C1CC1)C1CC1 ZINC001266596434 836027165 /nfs/dbraw/zinc/02/71/65/836027165.db2.gz DZWTUFKLVZIEIR-UHFFFAOYSA-N 1 1 347.444 0.359 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1snnc1C1CC1)C1CC1 ZINC001266596434 836027177 /nfs/dbraw/zinc/02/71/77/836027177.db2.gz DZWTUFKLVZIEIR-UHFFFAOYSA-N 1 1 347.444 0.359 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCOC2)C1 ZINC001279471058 836073391 /nfs/dbraw/zinc/07/33/91/836073391.db2.gz JXWQXLRVLOXDGX-WMZOPIPTSA-N 1 1 338.448 0.396 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCOC2)C1 ZINC001279471058 836073398 /nfs/dbraw/zinc/07/33/98/836073398.db2.gz JXWQXLRVLOXDGX-WMZOPIPTSA-N 1 1 338.448 0.396 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CN(C(C)=O)C2)C1 ZINC001266658372 836092687 /nfs/dbraw/zinc/09/26/87/836092687.db2.gz CEJIIFNZSAESBW-FUHWJXTLSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn(C)n2)C1 ZINC001266662155 836099647 /nfs/dbraw/zinc/09/96/47/836099647.db2.gz CIGGWCSJUSUTPZ-ZBFHGGJFSA-N 1 1 345.447 0.649 20 30 ECEDMO C#CCCCCC(=O)N[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001279480097 836151307 /nfs/dbraw/zinc/15/13/07/836151307.db2.gz ONBQQKARCLVNHL-CRAIPNDOSA-N 1 1 337.464 0.600 20 30 ECEDMO C#CCCCCC(=O)N[C@]1(CO)CCC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001279480097 836151311 /nfs/dbraw/zinc/15/13/11/836151311.db2.gz ONBQQKARCLVNHL-CRAIPNDOSA-N 1 1 337.464 0.600 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266739930 836223749 /nfs/dbraw/zinc/22/37/49/836223749.db2.gz HCQAOLIJGXZOGR-KBPBESRZSA-N 1 1 336.461 0.209 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)CC)C1 ZINC001266743275 836227165 /nfs/dbraw/zinc/22/71/65/836227165.db2.gz LRPMSANDHMZTRT-KBPBESRZSA-N 1 1 338.452 0.032 20 30 ECEDMO Cc1cncc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001266744098 836228722 /nfs/dbraw/zinc/22/87/22/836228722.db2.gz VJKLWIZCMXMSLA-CQSZACIVSA-N 1 1 329.404 0.472 20 30 ECEDMO Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001266744098 836228729 /nfs/dbraw/zinc/22/87/29/836228729.db2.gz VJKLWIZCMXMSLA-CQSZACIVSA-N 1 1 329.404 0.472 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266751031 836242416 /nfs/dbraw/zinc/24/24/16/836242416.db2.gz ASLIIEBXAUWNML-HZPDHXFCSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266751031 836242430 /nfs/dbraw/zinc/24/24/30/836242430.db2.gz ASLIIEBXAUWNML-HZPDHXFCSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001266751057 836243400 /nfs/dbraw/zinc/24/34/00/836243400.db2.gz BBRGSVXFEDADSQ-DLBZAZTESA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001266751057 836243412 /nfs/dbraw/zinc/24/34/12/836243412.db2.gz BBRGSVXFEDADSQ-DLBZAZTESA-N 1 1 348.491 0.438 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)NC(C)=O)C1 ZINC001266761092 836263828 /nfs/dbraw/zinc/26/38/28/836263828.db2.gz SYNXQHVOISRTTD-GJZGRUSLSA-N 1 1 338.452 0.032 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001266766943 836273053 /nfs/dbraw/zinc/27/30/53/836273053.db2.gz JNAXJMDAYMFAGF-HNNXBMFYSA-N 1 1 347.463 0.785 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CC3(O)CCC3)C2)C1=O ZINC000971511698 836288955 /nfs/dbraw/zinc/28/89/55/836288955.db2.gz OXIPOSRHZBYGKL-LSDHHAIUSA-N 1 1 335.448 0.611 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001279518523 836346859 /nfs/dbraw/zinc/34/68/59/836346859.db2.gz KSRSLLLAJFHUMW-QAPCUYQASA-N 1 1 335.448 0.211 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CN1CCCCS1(=O)=O ZINC001266850195 836380182 /nfs/dbraw/zinc/38/01/82/836380182.db2.gz WGAFTDOTMUOFRR-OAHLLOKOSA-N 1 1 341.477 0.406 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c(C)noc2C)C1 ZINC001266888875 836435855 /nfs/dbraw/zinc/43/58/55/836435855.db2.gz GXDWNJNWYTWNEG-SWLSCSKDSA-N 1 1 346.431 0.871 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ncccc2C)C1 ZINC001266895234 836446326 /nfs/dbraw/zinc/44/63/26/836446326.db2.gz ZJQMKDPCLGZYMO-HOTGVXAUSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCn2ccnc2)C1 ZINC001266895628 836446612 /nfs/dbraw/zinc/44/66/12/836446612.db2.gz QNKQDZMOLPMYDN-JKSUJKDBSA-N 1 1 345.447 0.239 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)SC ZINC001266900434 836454095 /nfs/dbraw/zinc/45/40/95/836454095.db2.gz DUVASOJXNZWNQX-ODXJTPSBSA-N 1 1 325.478 0.865 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC12CCOCC2 ZINC001266906132 836463904 /nfs/dbraw/zinc/46/39/04/836463904.db2.gz WHRIUIREPZGQLE-LJIZCISZSA-N 1 1 347.459 0.540 20 30 ECEDMO C[C@H]1CC[C@@H](CCC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)O1 ZINC001266906192 836464343 /nfs/dbraw/zinc/46/43/43/836464343.db2.gz OREZFMLWUARDGB-CKENWRIRSA-N 1 1 334.420 0.020 20 30 ECEDMO C[C@H]1CC[C@@H](CCC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)O1 ZINC001266906192 836464352 /nfs/dbraw/zinc/46/43/52/836464352.db2.gz OREZFMLWUARDGB-CKENWRIRSA-N 1 1 334.420 0.020 20 30 ECEDMO C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)[NH2+]Cc1cc(F)ccc1C#N ZINC001266948121 836511250 /nfs/dbraw/zinc/51/12/50/836511250.db2.gz CTJLGWOMIKKRSB-XHDPSFHLSA-N 1 1 332.379 0.818 20 30 ECEDMO COCCc1noc(C[NH2+]C2CC(N(C)C(=O)C#CC(C)C)C2)n1 ZINC001279230671 836516269 /nfs/dbraw/zinc/51/62/69/836516269.db2.gz ZDIDRIYHCFSICU-UHFFFAOYSA-N 1 1 334.420 0.997 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1n[nH]c2ccccc21 ZINC001266988873 836570954 /nfs/dbraw/zinc/57/09/54/836570954.db2.gz JBUXJFGMBLJDMA-NEPJUHHUSA-N 1 1 327.388 0.409 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)noc2C)C1 ZINC001267101034 836772558 /nfs/dbraw/zinc/77/25/58/836772558.db2.gz OYTOAGWSWPDALF-DZGCQCFKSA-N 1 1 346.431 0.966 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cn(C(C)C)cn2)C1 ZINC001267107314 836788691 /nfs/dbraw/zinc/78/86/91/836788691.db2.gz CCFRAICOCNDDBH-HNNXBMFYSA-N 1 1 345.447 0.750 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2cn(C(C)C)cn2)C1 ZINC001267107314 836788697 /nfs/dbraw/zinc/78/86/97/836788697.db2.gz CCFRAICOCNDDBH-HNNXBMFYSA-N 1 1 345.447 0.750 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001267107768 836789236 /nfs/dbraw/zinc/78/92/36/836789236.db2.gz IZWBLSNCYHDGAV-HNNXBMFYSA-N 1 1 346.431 0.224 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001267107768 836789241 /nfs/dbraw/zinc/78/92/41/836789241.db2.gz IZWBLSNCYHDGAV-HNNXBMFYSA-N 1 1 346.431 0.224 20 30 ECEDMO COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnn3cc[nH]c23)C1 ZINC001267115065 836808778 /nfs/dbraw/zinc/80/87/78/836808778.db2.gz QAYXCFQKLHKCLD-CQSZACIVSA-N 1 1 329.404 0.849 20 30 ECEDMO CC#CC[N@@H+](C)CCOCCNC(=O)c1nnn(C)c1C(F)(F)F ZINC001283416451 836854992 /nfs/dbraw/zinc/85/49/92/836854992.db2.gz LWRCCTCBBDIEKV-UHFFFAOYSA-N 1 1 347.341 0.535 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1nncn1C ZINC001267163810 836883519 /nfs/dbraw/zinc/88/35/19/836883519.db2.gz AANYSTJMSSIREV-LSDHHAIUSA-N 1 1 333.436 0.714 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1nncn1C ZINC001267163810 836883522 /nfs/dbraw/zinc/88/35/22/836883522.db2.gz AANYSTJMSSIREV-LSDHHAIUSA-N 1 1 333.436 0.714 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)c1ccncn1 ZINC001267177691 836920060 /nfs/dbraw/zinc/92/00/60/836920060.db2.gz WUPOUNLEXTVSGY-CQSZACIVSA-N 1 1 329.404 0.200 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccn(C)n1 ZINC001267181016 836928614 /nfs/dbraw/zinc/92/86/14/836928614.db2.gz FNCYMMWZYPZXCN-CQSZACIVSA-N 1 1 333.436 0.697 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccnc1C1CC1 ZINC001267205287 836984983 /nfs/dbraw/zinc/98/49/83/836984983.db2.gz FRYCHPAURBYFIM-ZDUSSCGKSA-N 1 1 328.416 0.759 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccnc1C1CC1 ZINC001267205287 836984993 /nfs/dbraw/zinc/98/49/93/836984993.db2.gz FRYCHPAURBYFIM-ZDUSSCGKSA-N 1 1 328.416 0.759 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1c(C)nn(C)c1OC ZINC001267219936 837011369 /nfs/dbraw/zinc/01/13/69/837011369.db2.gz CHNXAXNJCNUMID-GFCCVEGCSA-N 1 1 337.424 0.089 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1c(C)nn(C)c1OC ZINC001267219936 837011378 /nfs/dbraw/zinc/01/13/78/837011378.db2.gz CHNXAXNJCNUMID-GFCCVEGCSA-N 1 1 337.424 0.089 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C1CCCC1 ZINC001267226063 837024275 /nfs/dbraw/zinc/02/42/75/837024275.db2.gz MAWPAUHLCGWOIB-CYBMUJFWSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C1CCCC1 ZINC001267226063 837024288 /nfs/dbraw/zinc/02/42/88/837024288.db2.gz MAWPAUHLCGWOIB-CYBMUJFWSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1c[nH]c2ncccc12 ZINC001267231021 837035034 /nfs/dbraw/zinc/03/50/34/837035034.db2.gz LMWKUUPOHXQIPU-GFCCVEGCSA-N 1 1 329.404 0.915 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c2ncccc12 ZINC001267231021 837035042 /nfs/dbraw/zinc/03/50/42/837035042.db2.gz LMWKUUPOHXQIPU-GFCCVEGCSA-N 1 1 329.404 0.915 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267232424 837037999 /nfs/dbraw/zinc/03/79/99/837037999.db2.gz HUNGNSCWFVGGFM-WBVHZDCISA-N 1 1 344.459 0.475 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1cc(C)on1 ZINC001267234898 837041880 /nfs/dbraw/zinc/04/18/80/837041880.db2.gz OOMOWHOBAPDFGE-UHFFFAOYSA-N 1 1 337.380 0.047 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1cc(C)on1 ZINC001267234898 837041885 /nfs/dbraw/zinc/04/18/85/837041885.db2.gz OOMOWHOBAPDFGE-UHFFFAOYSA-N 1 1 337.380 0.047 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC(C)C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001267241094 837049561 /nfs/dbraw/zinc/04/95/61/837049561.db2.gz JVKSZMJCRHKFBF-MRXNPFEDSA-N 1 1 345.447 0.623 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC(C)C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001267241094 837049567 /nfs/dbraw/zinc/04/95/67/837049567.db2.gz JVKSZMJCRHKFBF-MRXNPFEDSA-N 1 1 345.447 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)CC(=O)Nc1ccon1 ZINC001267243564 837054989 /nfs/dbraw/zinc/05/49/89/837054989.db2.gz ZHNCERLNONBUDR-AWEZNQCLSA-N 1 1 347.419 0.149 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)CC(=O)Nc1ccon1 ZINC001267243564 837054998 /nfs/dbraw/zinc/05/49/98/837054998.db2.gz ZHNCERLNONBUDR-AWEZNQCLSA-N 1 1 347.419 0.149 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cc(C(F)F)n(C)n1)CC(=O)NCC#N ZINC001267244635 837058212 /nfs/dbraw/zinc/05/82/12/837058212.db2.gz KUVBADYNCVUQQV-UHFFFAOYSA-N 1 1 342.350 0.049 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cc(C(F)F)n(C)n1)CC(=O)NCC#N ZINC001267244635 837058226 /nfs/dbraw/zinc/05/82/26/837058226.db2.gz KUVBADYNCVUQQV-UHFFFAOYSA-N 1 1 342.350 0.049 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cncc(OC)c1C)CC(=O)NCC#N ZINC001267245982 837058626 /nfs/dbraw/zinc/05/86/26/837058626.db2.gz OFOWRYIYHKTXHU-UHFFFAOYSA-N 1 1 333.392 0.090 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cncc(OC)c1C)CC(=O)NCC#N ZINC001267245982 837058638 /nfs/dbraw/zinc/05/86/38/837058638.db2.gz OFOWRYIYHKTXHU-UHFFFAOYSA-N 1 1 333.392 0.090 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001267247336 837062246 /nfs/dbraw/zinc/06/22/46/837062246.db2.gz IZORRNJWAICKOX-AWEZNQCLSA-N 1 1 346.431 0.594 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001267247336 837062259 /nfs/dbraw/zinc/06/22/59/837062259.db2.gz IZORRNJWAICKOX-AWEZNQCLSA-N 1 1 346.431 0.594 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccn(C)n1 ZINC001267268385 837106864 /nfs/dbraw/zinc/10/68/64/837106864.db2.gz ZKLPLSJXHCURQC-UKRRQHHQSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccn(C)n1 ZINC001267268385 837106870 /nfs/dbraw/zinc/10/68/70/837106870.db2.gz ZKLPLSJXHCURQC-UKRRQHHQSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001267269306 837107195 /nfs/dbraw/zinc/10/71/95/837107195.db2.gz MRPFGBVFVAIQBB-HNNXBMFYSA-N 1 1 346.431 0.977 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001267269306 837107198 /nfs/dbraw/zinc/10/71/98/837107198.db2.gz MRPFGBVFVAIQBB-HNNXBMFYSA-N 1 1 346.431 0.977 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001267272226 837113998 /nfs/dbraw/zinc/11/39/98/837113998.db2.gz KQHYALCRXPQCFO-AWEZNQCLSA-N 1 1 332.404 0.643 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1cccnc1C ZINC001267276735 837120225 /nfs/dbraw/zinc/12/02/25/837120225.db2.gz UOZDXNSMWIJBLC-INIZCTEOSA-N 1 1 328.416 0.263 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cccnc1C ZINC001267276735 837120232 /nfs/dbraw/zinc/12/02/32/837120232.db2.gz UOZDXNSMWIJBLC-INIZCTEOSA-N 1 1 328.416 0.263 20 30 ECEDMO NC(=O)NCCC(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001267282064 837130954 /nfs/dbraw/zinc/13/09/54/837130954.db2.gz OCBKEYSQLXTINV-MRXNPFEDSA-N 1 1 328.416 0.677 20 30 ECEDMO NC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001267282064 837130962 /nfs/dbraw/zinc/13/09/62/837130962.db2.gz OCBKEYSQLXTINV-MRXNPFEDSA-N 1 1 328.416 0.677 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1C[C@@H](C)OC ZINC001267283318 837131594 /nfs/dbraw/zinc/13/15/94/837131594.db2.gz LSEJRLVDBPJTMD-ZIAGYGMSSA-N 1 1 340.468 0.866 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267289314 837139705 /nfs/dbraw/zinc/13/97/05/837139705.db2.gz YVCSYGCRZMGILH-QWHCGFSZSA-N 1 1 337.424 0.028 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267289314 837139714 /nfs/dbraw/zinc/13/97/14/837139714.db2.gz YVCSYGCRZMGILH-QWHCGFSZSA-N 1 1 337.424 0.028 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001267293410 837148362 /nfs/dbraw/zinc/14/83/62/837148362.db2.gz RYHGDGYGYVUSJF-HOTGVXAUSA-N 1 1 349.475 0.627 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cn2nc(C)cc2C)C1 ZINC001267297776 837160904 /nfs/dbraw/zinc/16/09/04/837160904.db2.gz JTEAZXDMDOEVIE-HZPDHXFCSA-N 1 1 347.463 0.629 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001267304539 837172931 /nfs/dbraw/zinc/17/29/31/837172931.db2.gz JGZMQPJODDXQLC-GJZGRUSLSA-N 1 1 337.464 0.932 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C2(C)CC(F)(F)C2)C1 ZINC001267306104 837176238 /nfs/dbraw/zinc/17/62/38/837176238.db2.gz DKFISYPQTKHWCH-CHWSQXEVSA-N 1 1 341.402 0.998 20 30 ECEDMO CC(C)(C)c1ocnc1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267307389 837179269 /nfs/dbraw/zinc/17/92/69/837179269.db2.gz RJOYTGQTMNANTI-LBPRGKRZSA-N 1 1 347.419 0.664 20 30 ECEDMO CC(C)(C)c1ocnc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267307389 837179275 /nfs/dbraw/zinc/17/92/75/837179275.db2.gz RJOYTGQTMNANTI-LBPRGKRZSA-N 1 1 347.419 0.664 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)[C@@]1(F)CCOC1)C(C)C ZINC001267313621 837189045 /nfs/dbraw/zinc/18/90/45/837189045.db2.gz QICZKOVQQUZYBE-MRXNPFEDSA-N 1 1 327.400 0.081 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001267315261 837191908 /nfs/dbraw/zinc/19/19/08/837191908.db2.gz HNMDBEIJTUNBBD-OAHLLOKOSA-N 1 1 345.447 0.023 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001267315261 837191915 /nfs/dbraw/zinc/19/19/15/837191915.db2.gz HNMDBEIJTUNBBD-OAHLLOKOSA-N 1 1 345.447 0.023 20 30 ECEDMO Cc1c(F)cccc1C(=O)NCC[N@H+](CC(=O)NCC#N)C1CC1 ZINC001267325837 837202952 /nfs/dbraw/zinc/20/29/52/837202952.db2.gz IMJGVHDWXOBFAX-UHFFFAOYSA-N 1 1 332.379 0.968 20 30 ECEDMO Cc1c(F)cccc1C(=O)NCC[N@@H+](CC(=O)NCC#N)C1CC1 ZINC001267325837 837202962 /nfs/dbraw/zinc/20/29/62/837202962.db2.gz IMJGVHDWXOBFAX-UHFFFAOYSA-N 1 1 332.379 0.968 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)Cc1cnc(C)o1)C1CC1 ZINC001267325605 837203248 /nfs/dbraw/zinc/20/32/48/837203248.db2.gz GHKJHLBTMNLJOH-GFCCVEGCSA-N 1 1 332.404 0.244 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)Cc1cnc(C)o1)C1CC1 ZINC001267325605 837203257 /nfs/dbraw/zinc/20/32/57/837203257.db2.gz GHKJHLBTMNLJOH-GFCCVEGCSA-N 1 1 332.404 0.244 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1ccnc(C)c1)C(C)C ZINC001267328590 837208762 /nfs/dbraw/zinc/20/87/62/837208762.db2.gz ARTWRVXBXLYNQM-UHFFFAOYSA-N 1 1 330.432 0.970 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1ccn(C)c(=O)c1)C1CC1 ZINC001267328297 837210298 /nfs/dbraw/zinc/21/02/98/837210298.db2.gz PTDDHYLMEUZJTO-ZDUSSCGKSA-N 1 1 346.431 0.270 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1ccn(C)c(=O)c1)C1CC1 ZINC001267328297 837210306 /nfs/dbraw/zinc/21/03/06/837210306.db2.gz PTDDHYLMEUZJTO-ZDUSSCGKSA-N 1 1 346.431 0.270 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H](C)SC)c1ccccc1 ZINC001267350159 837235865 /nfs/dbraw/zinc/23/58/65/837235865.db2.gz AVUKTDLUZKVAGA-DZGCQCFKSA-N 1 1 333.457 0.934 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)c1ncc[nH]1)c1ccccc1 ZINC001267357614 837245957 /nfs/dbraw/zinc/24/59/57/837245957.db2.gz QEDOIUPZEZWCAF-HIFRSBDPSA-N 1 1 339.399 0.608 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC001267358143 837246931 /nfs/dbraw/zinc/24/69/31/837246931.db2.gz XGLIZBZWNNVQMQ-AWEZNQCLSA-N 1 1 344.415 0.678 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]([NH2+][C@@H](C)C(N)=O)c2ccccc2)nc1 ZINC001267376764 837289699 /nfs/dbraw/zinc/28/96/99/837289699.db2.gz IWVZINWUIAPMHR-GUYCJALGSA-N 1 1 336.395 0.997 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1[nH]cnc1C)c1ccccc1 ZINC001267382933 837310158 /nfs/dbraw/zinc/31/01/58/837310158.db2.gz VZOVFVRDIFGOSY-HNNXBMFYSA-N 1 1 339.399 0.528 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC001267579927 837840340 /nfs/dbraw/zinc/84/03/40/837840340.db2.gz NTYWQHWFHWZFCW-HUUCEWRRSA-N 1 1 336.436 0.366 20 30 ECEDMO C#CCCCCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001267587381 837867170 /nfs/dbraw/zinc/86/71/70/837867170.db2.gz MPWVICMLFFHZMX-HNNXBMFYSA-N 1 1 347.463 0.972 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(CCC)c2)C1 ZINC001267589395 837874214 /nfs/dbraw/zinc/87/42/14/837874214.db2.gz JRDIXEUNMYIBMG-OAHLLOKOSA-N 1 1 347.463 0.989 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@H](C)C(N)=O)C2)cc1 ZINC001267589445 837876364 /nfs/dbraw/zinc/87/63/64/837876364.db2.gz KCUALAIHVDBJBA-HUUCEWRRSA-N 1 1 343.427 0.966 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001267593333 837889554 /nfs/dbraw/zinc/88/95/54/837889554.db2.gz IIHPZSSREAIWGF-ZDUSSCGKSA-N 1 1 329.400 0.887 20 30 ECEDMO CCO[C@H]1C[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267598240 837907675 /nfs/dbraw/zinc/90/76/75/837907675.db2.gz XVBWKHCNSDFLNZ-GJZGRUSLSA-N 1 1 336.436 0.222 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)c2ncccn2)CC1 ZINC001267602393 837926897 /nfs/dbraw/zinc/92/68/97/837926897.db2.gz BKTORIOXSZGHMC-CQSZACIVSA-N 1 1 343.431 0.399 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H](OC)c2cnn(C)c2)CC1 ZINC001267608956 837964664 /nfs/dbraw/zinc/96/46/64/837964664.db2.gz JSNKBLNUOQECTF-KRWDZBQOSA-N 1 1 347.463 0.207 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC001267626704 838075012 /nfs/dbraw/zinc/07/50/12/838075012.db2.gz YRYYGAALJZFZMH-UONOGXRCSA-N 1 1 332.404 0.515 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1 ZINC001267629513 838085103 /nfs/dbraw/zinc/08/51/03/838085103.db2.gz YCAWAOUAJKVMJP-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1 ZINC001267629513 838085112 /nfs/dbraw/zinc/08/51/12/838085112.db2.gz YCAWAOUAJKVMJP-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267658297 838173022 /nfs/dbraw/zinc/17/30/22/838173022.db2.gz NIWWFQHJYKHFAV-KBPBESRZSA-N 1 1 333.436 0.903 20 30 ECEDMO C=CCCCC(=O)N1CC[C@H](C[N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001267681481 838239266 /nfs/dbraw/zinc/23/92/66/838239266.db2.gz ACPUIPUCPXONHU-CQSZACIVSA-N 1 1 336.436 0.675 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001267685209 838248180 /nfs/dbraw/zinc/24/81/80/838248180.db2.gz BFSLPJRFPOPDEC-OAHLLOKOSA-N 1 1 346.431 0.156 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)N(C)C)C2)nn1 ZINC001267689453 838259916 /nfs/dbraw/zinc/25/99/16/838259916.db2.gz DXFPWYJEUGBGER-CQSZACIVSA-N 1 1 348.451 0.336 20 30 ECEDMO COCC#CCN1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267692946 838271860 /nfs/dbraw/zinc/27/18/60/838271860.db2.gz OTDWXJMOPDFOKF-INIZCTEOSA-N 1 1 330.432 0.452 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H](CC(C)C)OC)C2)C1=O ZINC001267693138 838272244 /nfs/dbraw/zinc/27/22/44/838272244.db2.gz UEOREQHSTFBPNE-HOTGVXAUSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H](CC(C)C)OC)C2)C1=O ZINC001267693137 838272258 /nfs/dbraw/zinc/27/22/58/838272258.db2.gz UEOREQHSTFBPNE-CVEARBPZSA-N 1 1 337.464 0.882 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001267693103 838272405 /nfs/dbraw/zinc/27/24/05/838272405.db2.gz SRIRHZZMNXDKDW-UHFFFAOYSA-N 1 1 339.399 0.579 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)CCn2cccc2)C1 ZINC001267698046 838288435 /nfs/dbraw/zinc/28/84/35/838288435.db2.gz ZKAGHEOIZWZSST-HNNXBMFYSA-N 1 1 331.420 0.298 20 30 ECEDMO C=CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267709289 838315494 /nfs/dbraw/zinc/31/54/94/838315494.db2.gz QVDRXHNRCWMFLN-JYJNAYRXSA-N 1 1 334.464 0.448 20 30 ECEDMO CCc1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C2)nn1C ZINC001267714207 838339091 /nfs/dbraw/zinc/33/90/91/838339091.db2.gz AAXSGLISMBPZFW-CYBMUJFWSA-N 1 1 346.435 0.016 20 30 ECEDMO CCc1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C2)nn1C ZINC001267714208 838339108 /nfs/dbraw/zinc/33/91/08/838339108.db2.gz AAXSGLISMBPZFW-ZDUSSCGKSA-N 1 1 346.435 0.016 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)CCCCCS(N)(=O)=O)C1 ZINC001267714458 838343193 /nfs/dbraw/zinc/34/31/93/838343193.db2.gz HYLHCICFSDQZFA-CQSZACIVSA-N 1 1 329.466 0.249 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001267724510 838386999 /nfs/dbraw/zinc/38/69/99/838386999.db2.gz GLPMIVVZGMVMIC-UHFFFAOYSA-N 1 1 341.415 0.420 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C[N@@H+](C)CC(=O)N(C)C2CC2)CC1 ZINC001267730493 838416501 /nfs/dbraw/zinc/41/65/01/838416501.db2.gz YDZDSYNKDYZMDN-HNNXBMFYSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267730929 838418165 /nfs/dbraw/zinc/41/81/65/838418165.db2.gz HDSVFAFLFXZBEF-JKSUJKDBSA-N 1 1 336.480 0.742 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001267751397 838473993 /nfs/dbraw/zinc/47/39/93/838473993.db2.gz XDBOKTHVNITGOA-CYBMUJFWSA-N 1 1 332.404 0.456 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001267751397 838473995 /nfs/dbraw/zinc/47/39/95/838473995.db2.gz XDBOKTHVNITGOA-CYBMUJFWSA-N 1 1 332.404 0.456 20 30 ECEDMO CN(C(=O)CSCC#N)[C@H]1CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001267756908 838482611 /nfs/dbraw/zinc/48/26/11/838482611.db2.gz OXWKOWUJGIRWDA-KBPBESRZSA-N 1 1 338.477 0.692 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001267761110 838488010 /nfs/dbraw/zinc/48/80/10/838488010.db2.gz BCMMPEGAVOIOQI-DGCLKSJQSA-N 1 1 335.408 0.144 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001267761110 838488015 /nfs/dbraw/zinc/48/80/15/838488015.db2.gz BCMMPEGAVOIOQI-DGCLKSJQSA-N 1 1 335.408 0.144 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnnc(C)c2)C1 ZINC001267762267 838489984 /nfs/dbraw/zinc/48/99/84/838489984.db2.gz DYQSVBDJHUOCPC-UKRRQHHQSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnnc(C)c2)C1 ZINC001267762267 838489989 /nfs/dbraw/zinc/48/99/89/838489989.db2.gz DYQSVBDJHUOCPC-UKRRQHHQSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC001267763509 838493513 /nfs/dbraw/zinc/49/35/13/838493513.db2.gz XXDYBRMWTGAJLI-RHSMWYFYSA-N 1 1 343.427 0.857 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC001267763509 838493517 /nfs/dbraw/zinc/49/35/17/838493517.db2.gz XXDYBRMWTGAJLI-RHSMWYFYSA-N 1 1 343.427 0.857 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccnc2OC)C1 ZINC001267771699 838521848 /nfs/dbraw/zinc/52/18/48/838521848.db2.gz LRTDDSMWZAGBNX-KBPBESRZSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cccnc2OC)C1 ZINC001267771699 838521855 /nfs/dbraw/zinc/52/18/55/838521855.db2.gz LRTDDSMWZAGBNX-KBPBESRZSA-N 1 1 346.431 0.927 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001267773778 838535364 /nfs/dbraw/zinc/53/53/64/838535364.db2.gz QDBMGJOTUMALKB-LSDHHAIUSA-N 1 1 338.452 0.078 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001267773778 838535368 /nfs/dbraw/zinc/53/53/68/838535368.db2.gz QDBMGJOTUMALKB-LSDHHAIUSA-N 1 1 338.452 0.078 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(C)c2C)C1 ZINC001267780901 838553346 /nfs/dbraw/zinc/55/33/46/838553346.db2.gz XPAXMPJJTCVHIH-GJZGRUSLSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(C)c2C)C1 ZINC001267780901 838553348 /nfs/dbraw/zinc/55/33/48/838553348.db2.gz XPAXMPJJTCVHIH-GJZGRUSLSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC001267783353 838557489 /nfs/dbraw/zinc/55/74/89/838557489.db2.gz APWWHAXILXMJFF-ZDUSSCGKSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC001267783353 838557492 /nfs/dbraw/zinc/55/74/92/838557492.db2.gz APWWHAXILXMJFF-ZDUSSCGKSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@H+](CC(=O)N(C)C(C)C)C1 ZINC001267787200 838563615 /nfs/dbraw/zinc/56/36/15/838563615.db2.gz XNVKCSVQPRBYCV-CVEARBPZSA-N 1 1 337.464 0.814 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)N(C)C(C)C)C1 ZINC001267787200 838563619 /nfs/dbraw/zinc/56/36/19/838563619.db2.gz XNVKCSVQPRBYCV-CVEARBPZSA-N 1 1 337.464 0.814 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H](CC)CNC(=O)c2[nH]nc3c2CCC3)C1=O ZINC001267810776 838591848 /nfs/dbraw/zinc/59/18/48/838591848.db2.gz LSOYDQYCKTVERJ-SWLSCSKDSA-N 1 1 345.447 0.783 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1cccc2nc(C)[nH]c21 ZINC001267827050 838622346 /nfs/dbraw/zinc/62/23/46/838622346.db2.gz PGXSSHGFJNXHNQ-CYBMUJFWSA-N 1 1 341.415 0.719 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267949418 838841680 /nfs/dbraw/zinc/84/16/80/838841680.db2.gz KMNPZIMVDFHHSZ-ZIAGYGMSSA-N 1 1 334.420 0.884 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)c1cc[nH]n1)CC2 ZINC001267972612 838902149 /nfs/dbraw/zinc/90/21/49/838902149.db2.gz MAWWPLWHWNPNME-UHFFFAOYSA-N 1 1 331.420 0.640 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccn[nH]1)CC2 ZINC001267972612 838902155 /nfs/dbraw/zinc/90/21/55/838902155.db2.gz MAWWPLWHWNPNME-UHFFFAOYSA-N 1 1 331.420 0.640 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)c1ccn[nH]1)CC2 ZINC001267972612 838902161 /nfs/dbraw/zinc/90/21/61/838902161.db2.gz MAWWPLWHWNPNME-UHFFFAOYSA-N 1 1 331.420 0.640 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(CC#CCOC)CCO2)CC[N@H+]1C ZINC001268021067 838996285 /nfs/dbraw/zinc/99/62/85/838996285.db2.gz BHHYSQGVOIYBGV-YESZJQIVSA-N 1 1 337.464 0.184 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)c2ccncc2)C1 ZINC001268022743 839002218 /nfs/dbraw/zinc/00/22/18/839002218.db2.gz XKJVAMSGSOHVKS-OAHLLOKOSA-N 1 1 332.404 0.205 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H](CNC(=O)CNC(=O)c2ccncc2)C1 ZINC001268022743 839002232 /nfs/dbraw/zinc/00/22/32/839002232.db2.gz XKJVAMSGSOHVKS-OAHLLOKOSA-N 1 1 332.404 0.205 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@H](CNC(=O)Cn2ncc3cccnc32)C1 ZINC001268024003 839011521 /nfs/dbraw/zinc/01/15/21/839011521.db2.gz VFYURSGVQUONRR-OAHLLOKOSA-N 1 1 327.388 0.272 20 30 ECEDMO C#CCC[N@H+]1CCO[C@H](CNC(=O)Cn2ncc3cccnc32)C1 ZINC001268024003 839011531 /nfs/dbraw/zinc/01/15/31/839011531.db2.gz VFYURSGVQUONRR-OAHLLOKOSA-N 1 1 327.388 0.272 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCOC1)CC2 ZINC001268043723 839196548 /nfs/dbraw/zinc/19/65/48/839196548.db2.gz NSDMHPDAAYTTTA-JKSUJKDBSA-N 1 1 347.459 0.475 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)c1ccc(=O)n(C)c1)CC2 ZINC001268045245 839206917 /nfs/dbraw/zinc/20/69/17/839206917.db2.gz WCWIJRVEMNZKQT-UHFFFAOYSA-N 1 1 343.427 0.573 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)COCC(F)F)CC2 ZINC001268045279 839207326 /nfs/dbraw/zinc/20/73/26/839207326.db2.gz XMASDNZRAVACPA-UHFFFAOYSA-N 1 1 330.375 0.842 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)Cc1nonc1C)CC2 ZINC001268046845 839214300 /nfs/dbraw/zinc/21/43/00/839214300.db2.gz MPXAJPNQILFNEX-UHFFFAOYSA-N 1 1 332.404 0.495 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[C@](C)(O)C3CC3)CC2)C1=O ZINC000980996843 839298598 /nfs/dbraw/zinc/29/85/98/839298598.db2.gz NIGMVOXVZDSGEC-LPHOPBHVSA-N 1 1 349.475 0.859 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[C@](C)(O)C3CC3)CC2)C1=O ZINC000980996843 839298606 /nfs/dbraw/zinc/29/86/06/839298606.db2.gz NIGMVOXVZDSGEC-LPHOPBHVSA-N 1 1 349.475 0.859 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000981001473 839305511 /nfs/dbraw/zinc/30/55/11/839305511.db2.gz KTOXARAZUGWOJF-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000981001473 839305520 /nfs/dbraw/zinc/30/55/20/839305520.db2.gz KTOXARAZUGWOJF-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000102936502 219242082 /nfs/dbraw/zinc/24/20/82/219242082.db2.gz LRQMNEXUQUYPFX-AWEZNQCLSA-N 1 1 326.356 0.387 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](C(N)=O)C3)C2=O)cc1 ZINC000102936543 219242637 /nfs/dbraw/zinc/24/26/37/219242637.db2.gz ZKEBZZOWQUUIDQ-JSGCOSHPSA-N 1 1 326.356 0.387 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](C(N)=O)C3)C2=O)cc1 ZINC000102936543 219242640 /nfs/dbraw/zinc/24/26/40/219242640.db2.gz ZKEBZZOWQUUIDQ-JSGCOSHPSA-N 1 1 326.356 0.387 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)N(CCC#N)CCOC ZINC000352513016 283337267 /nfs/dbraw/zinc/33/72/67/283337267.db2.gz UCFXLGQZEIUQTH-CQSZACIVSA-N 1 1 332.470 0.557 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000266523931 248344677 /nfs/dbraw/zinc/34/46/77/248344677.db2.gz AECNUJXJRUIKKU-SFHVURJKSA-N 1 1 342.443 0.971 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000330396897 285046471 /nfs/dbraw/zinc/04/64/71/285046471.db2.gz RYNUJVZVVHFKAA-ZIAGYGMSSA-N 1 1 332.470 0.365 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000330396897 285046472 /nfs/dbraw/zinc/04/64/72/285046472.db2.gz RYNUJVZVVHFKAA-ZIAGYGMSSA-N 1 1 332.470 0.365 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)C1 ZINC000329240885 285056962 /nfs/dbraw/zinc/05/69/62/285056962.db2.gz RIKXGXBGIQKAIQ-HRCADAONSA-N 1 1 340.468 0.416 20 30 ECEDMO COC(=O)[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411915509 208167287 /nfs/dbraw/zinc/16/72/87/208167287.db2.gz LRLDBZGUOWBFFS-LSDHHAIUSA-N 1 1 330.388 0.121 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC[N@H+](C)C1 ZINC000413914586 208376704 /nfs/dbraw/zinc/37/67/04/208376704.db2.gz GSJRFLLFHRADGO-UKRRQHHQSA-N 1 1 345.399 0.889 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000413914586 208376710 /nfs/dbraw/zinc/37/67/10/208376710.db2.gz GSJRFLLFHRADGO-UKRRQHHQSA-N 1 1 345.399 0.889 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC[N@H+](C)C1 ZINC000413914374 208377436 /nfs/dbraw/zinc/37/74/36/208377436.db2.gz GOIZHWAJFXSBOL-UKRRQHHQSA-N 1 1 345.399 0.889 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000413914374 208377439 /nfs/dbraw/zinc/37/74/39/208377439.db2.gz GOIZHWAJFXSBOL-UKRRQHHQSA-N 1 1 345.399 0.889 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)CC1 ZINC000331278083 254652310 /nfs/dbraw/zinc/65/23/10/254652310.db2.gz SGILVNFTAFTUEA-ZYHUDNBSSA-N 1 1 329.397 0.059 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC12COC2 ZINC000451141358 254804499 /nfs/dbraw/zinc/80/44/99/254804499.db2.gz VOESAFRKLZBBCB-STQMWFEESA-N 1 1 335.404 0.449 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC12COC2 ZINC000451141358 254804501 /nfs/dbraw/zinc/80/45/01/254804501.db2.gz VOESAFRKLZBBCB-STQMWFEESA-N 1 1 335.404 0.449 20 30 ECEDMO C#CCOc1ccccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000265186194 533194480 /nfs/dbraw/zinc/19/44/80/533194480.db2.gz NTMZMWBIMFAOMA-MRXNPFEDSA-N 1 1 330.432 0.744 20 30 ECEDMO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N(C)CCC#N ZINC000129734517 285282742 /nfs/dbraw/zinc/28/27/42/285282742.db2.gz KFBRHFRUDOADAA-HNNXBMFYSA-N 1 1 345.513 0.425 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N(C)CCC#N ZINC000129734517 285282743 /nfs/dbraw/zinc/28/27/43/285282743.db2.gz KFBRHFRUDOADAA-HNNXBMFYSA-N 1 1 345.513 0.425 20 30 ECEDMO COCCNC(=O)CN1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391516 221146111 /nfs/dbraw/zinc/14/61/11/221146111.db2.gz HNFIJFKLSOPFBH-HNNXBMFYSA-N 1 1 330.432 0.999 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000174655072 533312101 /nfs/dbraw/zinc/31/21/01/533312101.db2.gz CDYQKCLOUWZCHQ-UHFFFAOYSA-N 1 1 332.404 0.890 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cnoc1 ZINC001077949062 781995402 /nfs/dbraw/zinc/99/54/02/781995402.db2.gz FNFJUROUHNSASS-ZFWWWQNUSA-N 1 1 332.404 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cnoc1 ZINC001077949062 781995408 /nfs/dbraw/zinc/99/54/08/781995408.db2.gz FNFJUROUHNSASS-ZFWWWQNUSA-N 1 1 332.404 0.326 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)N(C(C)=O)C1 ZINC000329945909 286102793 /nfs/dbraw/zinc/10/27/93/286102793.db2.gz JIIKQEMSINDUTJ-VNQPRFMTSA-N 1 1 340.468 0.605 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1 ZINC001077960287 782017698 /nfs/dbraw/zinc/01/76/98/782017698.db2.gz OELIWSVGEICESH-UKRRQHHQSA-N 1 1 335.404 0.920 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC001041703207 782021254 /nfs/dbraw/zinc/02/12/54/782021254.db2.gz DLEWTELDPSQYHH-CRAIPNDOSA-N 1 1 342.447 0.573 20 30 ECEDMO CC(C)[NH+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 ZINC000270130573 263223640 /nfs/dbraw/zinc/22/36/40/263223640.db2.gz BHQGCRSHDIOLFV-UHFFFAOYSA-N 1 1 326.400 1.000 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)n1C ZINC000275999089 263656644 /nfs/dbraw/zinc/65/66/44/263656644.db2.gz VZROTAQUQRSBQB-UHFFFAOYSA-N 1 1 344.350 0.752 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)C(=O)Nc2ccc(C#N)cc2)CC1(C)C ZINC000282124184 264017530 /nfs/dbraw/zinc/01/75/30/264017530.db2.gz UJZJXAUJFRBFNY-UHFFFAOYSA-N 1 1 343.431 0.639 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)c1ccc(C#N)cc1 ZINC000283967107 264174793 /nfs/dbraw/zinc/17/47/93/264174793.db2.gz LGEUZNCZGPWZJC-ZDUSSCGKSA-N 1 1 346.456 0.900 20 30 ECEDMO CC[N@@H+](CCCO)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000348303326 266125732 /nfs/dbraw/zinc/12/57/32/266125732.db2.gz DGJKDYGAORDXJM-UHFFFAOYSA-N 1 1 335.408 0.208 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000296441329 266722713 /nfs/dbraw/zinc/72/27/13/266722713.db2.gz WAVJAOHCKRYDAY-GOSISDBHSA-N 1 1 345.399 0.686 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(C#N)o2)CCCO1 ZINC000287454091 267051867 /nfs/dbraw/zinc/05/18/67/267051867.db2.gz REQZZYUOVGFILY-GFCCVEGCSA-N 1 1 327.406 0.930 20 30 ECEDMO C[C@@](O)(CNC(=O)Nc1ccc(C#N)c(F)c1)C[NH+]1CCOCC1 ZINC000353560279 267113749 /nfs/dbraw/zinc/11/37/49/267113749.db2.gz MUVIOCLOXRYWCQ-MRXNPFEDSA-N 1 1 336.367 0.902 20 30 ECEDMO C[C@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)n1cnc(C#N)n1 ZINC000337013031 267131471 /nfs/dbraw/zinc/13/14/71/267131471.db2.gz IQKKXVNJPPHQAI-CYBMUJFWSA-N 1 1 333.440 0.101 20 30 ECEDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340338835 267229957 /nfs/dbraw/zinc/22/99/57/267229957.db2.gz HYCJBBUAMJANDT-LBPRGKRZSA-N 1 1 345.403 0.195 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340338835 267229960 /nfs/dbraw/zinc/22/99/60/267229960.db2.gz HYCJBBUAMJANDT-LBPRGKRZSA-N 1 1 345.403 0.195 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000364980798 267281160 /nfs/dbraw/zinc/28/11/60/267281160.db2.gz JHHPAMMIDUNCIC-ZDUSSCGKSA-N 1 1 344.415 0.720 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372105415 267282994 /nfs/dbraw/zinc/28/29/94/267282994.db2.gz LMHPEMIYLONWOQ-GJZGRUSLSA-N 1 1 342.399 0.785 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)c(F)c1 ZINC000275819502 268133997 /nfs/dbraw/zinc/13/39/97/268133997.db2.gz ZNQODEVCCGTKJT-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)c(F)c1 ZINC000275819502 268133999 /nfs/dbraw/zinc/13/39/99/268133999.db2.gz ZNQODEVCCGTKJT-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO N#Cc1ccc(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000333952304 268143562 /nfs/dbraw/zinc/14/35/62/268143562.db2.gz ZVSNRIIUMWBDID-HNNXBMFYSA-N 1 1 327.388 0.986 20 30 ECEDMO N#Cc1ccc(OCCC[N@@H+]2CCCN(S(N)(=O)=O)CC2)cc1 ZINC000361758026 268172328 /nfs/dbraw/zinc/17/23/28/268172328.db2.gz YXTHEBZOZPFBPG-UHFFFAOYSA-N 1 1 338.433 0.538 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)COC3CCOCC3)C2)nc1 ZINC000292041053 268184833 /nfs/dbraw/zinc/18/48/33/268184833.db2.gz ALICRUJGLVWGCQ-WBVHZDCISA-N 1 1 347.415 0.963 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1C(F)(F)F ZINC000528054912 268257331 /nfs/dbraw/zinc/25/73/31/268257331.db2.gz ACQNGFZDMFNJGJ-SNVBAGLBSA-N 1 1 349.334 0.844 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000375841825 268262648 /nfs/dbraw/zinc/26/26/48/268262648.db2.gz PBDAHHLZTBAINT-HOTGVXAUSA-N 1 1 342.399 0.554 20 30 ECEDMO N#Cc1cccc(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000333936943 268267786 /nfs/dbraw/zinc/26/77/86/268267786.db2.gz KZYUNDKJRMBYNA-HNNXBMFYSA-N 1 1 327.388 0.986 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C#N)(N(C)C)CC1 ZINC000331439810 288114740 /nfs/dbraw/zinc/11/47/40/288114740.db2.gz XFMHHQLMXXNBQO-HIFRSBDPSA-N 1 1 347.463 0.032 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000451665733 279214856 /nfs/dbraw/zinc/21/48/56/279214856.db2.gz FRYCLLTZGGPYRA-UONOGXRCSA-N 1 1 332.470 0.149 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCN(C(=O)NCCCS(C)(=O)=O)CC2)CCO1 ZINC000330707112 288134038 /nfs/dbraw/zinc/13/40/38/288134038.db2.gz MDJVXNKXUDLXNB-CYBMUJFWSA-N 1 1 347.481 0.520 20 30 ECEDMO CCO[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@]12CCCO2 ZINC000329575297 279830746 /nfs/dbraw/zinc/83/07/46/279830746.db2.gz VNTGTQKSSIPPHT-JYYAWHABSA-N 1 1 341.452 0.625 20 30 ECEDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)N(CCC#N)CCOC ZINC000337101624 288198275 /nfs/dbraw/zinc/19/82/75/288198275.db2.gz WKAZKZYZZQKBOJ-HNNXBMFYSA-N 1 1 346.497 0.947 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000357885059 280101512 /nfs/dbraw/zinc/10/15/12/280101512.db2.gz DZHXCPDUDKPPDA-TZMCWYRMSA-N 1 1 330.454 0.041 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000357885059 280101517 /nfs/dbraw/zinc/10/15/17/280101517.db2.gz DZHXCPDUDKPPDA-TZMCWYRMSA-N 1 1 330.454 0.041 20 30 ECEDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000329710261 288300295 /nfs/dbraw/zinc/30/02/95/288300295.db2.gz NPAJZDXCJMPTMQ-MGPQQGTHSA-N 1 1 329.466 0.894 20 30 ECEDMO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)C2)C1 ZINC000330192181 290245791 /nfs/dbraw/zinc/24/57/91/290245791.db2.gz XQNKWSJOBXKQIQ-ZFWWWQNUSA-N 1 1 344.481 0.352 20 30 ECEDMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000330799369 437618831 /nfs/dbraw/zinc/61/88/31/437618831.db2.gz BYKSNCIJHYNMMF-QWHCGFSZSA-N 1 1 333.454 0.130 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000330799369 437618836 /nfs/dbraw/zinc/61/88/36/437618836.db2.gz BYKSNCIJHYNMMF-QWHCGFSZSA-N 1 1 333.454 0.130 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000407971382 298275831 /nfs/dbraw/zinc/27/58/31/298275831.db2.gz AWBNJSVRNRUUIK-OLZOCXBDSA-N 1 1 332.470 0.242 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000407971382 298275833 /nfs/dbraw/zinc/27/58/33/298275833.db2.gz AWBNJSVRNRUUIK-OLZOCXBDSA-N 1 1 332.470 0.242 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000073020765 436067815 /nfs/dbraw/zinc/06/78/15/436067815.db2.gz KJNZCPZLEQVTQU-QGZVFWFLSA-N 1 1 348.443 0.945 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000073020765 436067819 /nfs/dbraw/zinc/06/78/19/436067819.db2.gz KJNZCPZLEQVTQU-QGZVFWFLSA-N 1 1 348.443 0.945 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)CCO1 ZINC000079491523 436297705 /nfs/dbraw/zinc/29/77/05/436297705.db2.gz KPIBMLWTHPOSNL-KDOFPFPSSA-N 1 1 334.464 0.980 20 30 ECEDMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000041720000 436283248 /nfs/dbraw/zinc/28/32/48/436283248.db2.gz GZPXFLAFQXURKD-UHFFFAOYSA-N 1 1 343.431 0.641 20 30 ECEDMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513182 436348632 /nfs/dbraw/zinc/34/86/32/436348632.db2.gz RIDWXZIMDSRGED-GXTWGEPZSA-N 1 1 335.429 0.918 20 30 ECEDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513182 436348634 /nfs/dbraw/zinc/34/86/34/436348634.db2.gz RIDWXZIMDSRGED-GXTWGEPZSA-N 1 1 335.429 0.918 20 30 ECEDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513181 436348803 /nfs/dbraw/zinc/34/88/03/436348803.db2.gz RIDWXZIMDSRGED-TZMCWYRMSA-N 1 1 335.429 0.918 20 30 ECEDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513181 436348807 /nfs/dbraw/zinc/34/88/07/436348807.db2.gz RIDWXZIMDSRGED-TZMCWYRMSA-N 1 1 335.429 0.918 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000042744204 436315060 /nfs/dbraw/zinc/31/50/60/436315060.db2.gz PJQBCEMYWZTBBB-UHFFFAOYSA-N 1 1 336.417 0.001 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CCOC(C)C)CC1 ZINC000081639534 436353294 /nfs/dbraw/zinc/35/32/94/436353294.db2.gz SKYSOZXOQKMSQP-AWEZNQCLSA-N 1 1 326.441 0.429 20 30 ECEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000047011151 436407466 /nfs/dbraw/zinc/40/74/66/436407466.db2.gz PHOMCBXVQSOSQC-MRXNPFEDSA-N 1 1 349.456 0.883 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCS(=O)(=O)C1 ZINC000091212831 436444691 /nfs/dbraw/zinc/44/46/91/436444691.db2.gz VTPZIMCUNCPQTL-RRFJBIMHSA-N 1 1 339.461 0.445 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)n1 ZINC000091235744 436446333 /nfs/dbraw/zinc/44/63/33/436446333.db2.gz ZWAWIIUMRWSFER-NSHDSACASA-N 1 1 332.408 0.873 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CCN2CCCC2=O)CC1 ZINC000092618665 436473527 /nfs/dbraw/zinc/47/35/27/436473527.db2.gz BWJPWPYANCCMTB-MRXNPFEDSA-N 1 1 349.479 0.233 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCN2CCCC2=O)CC1 ZINC000092618665 436473531 /nfs/dbraw/zinc/47/35/31/436473531.db2.gz BWJPWPYANCCMTB-MRXNPFEDSA-N 1 1 349.479 0.233 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000052191964 436504293 /nfs/dbraw/zinc/50/42/93/436504293.db2.gz HLXQLFOZGMEJKS-UHFFFAOYSA-N 1 1 346.412 0.533 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000052364361 436506458 /nfs/dbraw/zinc/50/64/58/436506458.db2.gz RNMPPYDQHNORCC-UHFFFAOYSA-N 1 1 327.344 0.827 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C#N)cn2)CC1 ZINC000107449530 436611684 /nfs/dbraw/zinc/61/16/84/436611684.db2.gz WYJYPPUEVZNYBH-UHFFFAOYSA-N 1 1 329.404 0.674 20 30 ECEDMO CCOCC[N@@H+](CC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000107679109 436612975 /nfs/dbraw/zinc/61/29/75/436612975.db2.gz COJZDUANVJYKDS-UHFFFAOYSA-N 1 1 349.435 0.862 20 30 ECEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000272048384 436703278 /nfs/dbraw/zinc/70/32/78/436703278.db2.gz YYOIKQBRHFRSLR-DLBZAZTESA-N 1 1 346.406 0.601 20 30 ECEDMO CC(C)[N@@H+](C)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000119825869 436673016 /nfs/dbraw/zinc/67/30/16/436673016.db2.gz UZLRECHZCLBYJS-CQSZACIVSA-N 1 1 345.451 0.909 20 30 ECEDMO C=CCCOCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000122724006 436737698 /nfs/dbraw/zinc/73/76/98/436737698.db2.gz XUIMJBICLJTOCD-HNNXBMFYSA-N 1 1 338.452 0.527 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCNC(=O)/C=C/c2ccco2)CC1 ZINC000068444665 436745400 /nfs/dbraw/zinc/74/54/00/436745400.db2.gz IJOBIOURZDYGEH-VOTSOKGWSA-N 1 1 329.400 0.967 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000124343949 436748750 /nfs/dbraw/zinc/74/87/50/436748750.db2.gz RLWNGQRHBYBSDT-YGRLFVJLSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000124343949 436748754 /nfs/dbraw/zinc/74/87/54/436748754.db2.gz RLWNGQRHBYBSDT-YGRLFVJLSA-N 1 1 334.351 0.471 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC000124418738 436750608 /nfs/dbraw/zinc/75/06/08/436750608.db2.gz IBINRKDXOWWRTQ-DOMZBBRYSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC000124418738 436750612 /nfs/dbraw/zinc/75/06/12/436750612.db2.gz IBINRKDXOWWRTQ-DOMZBBRYSA-N 1 1 330.388 0.641 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cc2ccc(C#N)cc2)CC1 ZINC000068605254 436750853 /nfs/dbraw/zinc/75/08/53/436750853.db2.gz USTSLDIZLVEGTD-UHFFFAOYSA-N 1 1 328.416 0.770 20 30 ECEDMO CO/N=C/c1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000068601911 436751434 /nfs/dbraw/zinc/75/14/34/436751434.db2.gz WOSYZHGFZWPLST-XDHOZWIPSA-N 1 1 346.431 0.949 20 30 ECEDMO Cc1nnnn1-c1ccc(F)c(NC(=O)CO[NH+]=C(N)C(C)C)c1 ZINC000128595659 436818196 /nfs/dbraw/zinc/81/81/96/436818196.db2.gz WOJPHYZIVULPGG-UHFFFAOYSA-N 1 1 335.343 0.993 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000245907680 436771066 /nfs/dbraw/zinc/77/10/66/436771066.db2.gz ULTRKAUJQCFYGN-WMLDXEAASA-N 1 1 338.452 0.610 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000245907680 436771070 /nfs/dbraw/zinc/77/10/70/436771070.db2.gz ULTRKAUJQCFYGN-WMLDXEAASA-N 1 1 338.452 0.610 20 30 ECEDMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000246155362 436773586 /nfs/dbraw/zinc/77/35/86/436773586.db2.gz TYXAZIFTQKXIAZ-HZPDHXFCSA-N 1 1 349.479 0.137 20 30 ECEDMO C[N@@H+](CC(=O)N1CCOCC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000274029150 436793422 /nfs/dbraw/zinc/79/34/22/436793422.db2.gz CCUWOGIBGKGYTL-HNNXBMFYSA-N 1 1 333.388 0.089 20 30 ECEDMO C[N@H+](CC(=O)N1CCOCC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000274029150 436793426 /nfs/dbraw/zinc/79/34/26/436793426.db2.gz CCUWOGIBGKGYTL-HNNXBMFYSA-N 1 1 333.388 0.089 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000155313737 436793796 /nfs/dbraw/zinc/79/37/96/436793796.db2.gz GCPWAJLOLJOCSE-HZPDHXFCSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000155313737 436793799 /nfs/dbraw/zinc/79/37/99/436793799.db2.gz GCPWAJLOLJOCSE-HZPDHXFCSA-N 1 1 342.399 0.866 20 30 ECEDMO CC[N@@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000130953053 436845164 /nfs/dbraw/zinc/84/51/64/436845164.db2.gz HIMHQLUYTJXSJB-LBPRGKRZSA-N 1 1 338.433 0.293 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)NCCC[N@H+](C)CCOC ZINC000274708524 436863612 /nfs/dbraw/zinc/86/36/12/436863612.db2.gz SJTWNWAXZPESHV-UHFFFAOYSA-N 1 1 347.415 0.722 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000293304873 436864399 /nfs/dbraw/zinc/86/43/99/436864399.db2.gz HSICFYNNSAGVIZ-UHFFFAOYSA-N 1 1 345.399 0.873 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000293414633 436874855 /nfs/dbraw/zinc/87/48/55/436874855.db2.gz PKQFFBFSPAZDBZ-UHFFFAOYSA-N 1 1 345.399 0.791 20 30 ECEDMO C#CCNC(=O)[C@H](C)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249547571 436823588 /nfs/dbraw/zinc/82/35/88/436823588.db2.gz GRHLMEZYELHPEC-LPHOPBHVSA-N 1 1 329.444 0.693 20 30 ECEDMO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000129764929 436829094 /nfs/dbraw/zinc/82/90/94/436829094.db2.gz VMLBHBJCKWCVNH-UHFFFAOYSA-N 1 1 344.481 0.511 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCn1nnc2ccccc2c1=O ZINC000293981576 436924685 /nfs/dbraw/zinc/92/46/85/436924685.db2.gz MXHPYHJEFJZORU-UHFFFAOYSA-N 1 1 327.388 0.253 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000293467644 436879773 /nfs/dbraw/zinc/87/97/73/436879773.db2.gz UPXHFJXPVMJQTH-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO CC[NH+]=C(NC[C@H]1CCCN1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261656269 436881690 /nfs/dbraw/zinc/88/16/90/436881690.db2.gz FLRUDBKXGFXSEG-CQSZACIVSA-N 1 1 347.467 0.128 20 30 ECEDMO C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000133900266 436886378 /nfs/dbraw/zinc/88/63/78/436886378.db2.gz BNQBFYHFRWESNK-CYBMUJFWSA-N 1 1 344.415 0.703 20 30 ECEDMO C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H](N2CC=CC2)C1 ZINC000261992972 436899944 /nfs/dbraw/zinc/89/99/44/436899944.db2.gz RUPHECDWGWDTJU-OAHLLOKOSA-N 1 1 329.452 0.701 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162429848 436905431 /nfs/dbraw/zinc/90/54/31/436905431.db2.gz BRRSOXAZMOECAL-IRXDYDNUSA-N 1 1 348.491 0.814 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000293768258 436906495 /nfs/dbraw/zinc/90/64/95/436906495.db2.gz KPKNPLMITNGCJK-UHFFFAOYSA-N 1 1 330.431 0.768 20 30 ECEDMO C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O ZINC000275497494 436976797 /nfs/dbraw/zinc/97/67/97/436976797.db2.gz GOSFCOJPHFKWMB-HNNXBMFYSA-N 1 1 344.459 0.951 20 30 ECEDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000263698781 436978875 /nfs/dbraw/zinc/97/88/75/436978875.db2.gz FKMXBUPRYFJNGH-LBPRGKRZSA-N 1 1 333.436 0.878 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000294026078 436928681 /nfs/dbraw/zinc/92/86/81/436928681.db2.gz QYXVVVMYYKDNTA-UHFFFAOYSA-N 1 1 327.406 0.014 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000136390168 436931911 /nfs/dbraw/zinc/93/19/11/436931911.db2.gz GVKSEOJTFKGKRZ-LBPRGKRZSA-N 1 1 348.378 0.720 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000294097857 436934007 /nfs/dbraw/zinc/93/40/07/436934007.db2.gz YAAMXYQUVNJEHE-UHFFFAOYSA-N 1 1 345.447 0.627 20 30 ECEDMO CC[NH+]=C(NCc1cn[nH]c1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262568948 436937962 /nfs/dbraw/zinc/93/79/62/436937962.db2.gz MMTNLDCLLSOEHS-OAHLLOKOSA-N 1 1 348.451 0.507 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000281058237 436943600 /nfs/dbraw/zinc/94/36/00/436943600.db2.gz YHDWVSJEQAJUOL-UHFFFAOYSA-N 1 1 328.420 0.647 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000275265499 436948007 /nfs/dbraw/zinc/94/80/07/436948007.db2.gz SCILHNLXBUHCPD-KGLIPLIRSA-N 1 1 347.415 0.859 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000275265499 436948011 /nfs/dbraw/zinc/94/80/11/436948011.db2.gz SCILHNLXBUHCPD-KGLIPLIRSA-N 1 1 347.415 0.859 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000297770980 437018584 /nfs/dbraw/zinc/01/85/84/437018584.db2.gz JIOMWDYEYGCFHF-MRXNPFEDSA-N 1 1 342.443 0.991 20 30 ECEDMO N#C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000171731409 436988329 /nfs/dbraw/zinc/98/83/29/436988329.db2.gz MPPVLBQKMFKNKD-QGZVFWFLSA-N 1 1 328.416 0.555 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000275616310 436990947 /nfs/dbraw/zinc/99/09/47/436990947.db2.gz IVTIQWUPIDNTLB-UHFFFAOYSA-N 1 1 344.415 0.628 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000296601902 436994144 /nfs/dbraw/zinc/99/41/44/436994144.db2.gz OPEZPOUZUYCVFT-UHFFFAOYSA-N 1 1 337.445 0.844 20 30 ECEDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000172020622 436995937 /nfs/dbraw/zinc/99/59/37/436995937.db2.gz SKFWWYOTHRLTHP-CQSZACIVSA-N 1 1 336.417 0.510 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285785492 437083145 /nfs/dbraw/zinc/08/31/45/437083145.db2.gz ZCPSXFBSBHSIIM-CABCVRRESA-N 1 1 343.493 0.931 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285785492 437083149 /nfs/dbraw/zinc/08/31/49/437083149.db2.gz ZCPSXFBSBHSIIM-CABCVRRESA-N 1 1 343.493 0.931 20 30 ECEDMO C=CCC[N@H+](C)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000276486266 437112976 /nfs/dbraw/zinc/11/29/76/437112976.db2.gz UDLPYSZVEAOBHQ-CYBMUJFWSA-N 1 1 339.461 0.889 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H](CO)C3)CC2)o1 ZINC000177669095 437193526 /nfs/dbraw/zinc/19/35/26/437193526.db2.gz PWFFZCXCYFJFLI-CQSZACIVSA-N 1 1 347.419 0.208 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000266683528 437229467 /nfs/dbraw/zinc/22/94/67/437229467.db2.gz JSQSAMQFBBPLHT-LBPRGKRZSA-N 1 1 347.419 0.999 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C)c2C#N)C1 ZINC000266719240 437234060 /nfs/dbraw/zinc/23/40/60/437234060.db2.gz ZJOFCCODAGCBBT-ZDUSSCGKSA-N 1 1 330.388 0.642 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CSC2(C)C)CC1 ZINC000328755039 437259264 /nfs/dbraw/zinc/25/92/64/437259264.db2.gz SQLVGBMERYOFOM-LBPRGKRZSA-N 1 1 328.482 0.937 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000288311911 437308090 /nfs/dbraw/zinc/30/80/90/437308090.db2.gz HRAGFCUGDUDPFC-UHFFFAOYSA-N 1 1 338.477 0.861 20 30 ECEDMO CN(CCCNS(=O)(=O)Cc1ccc(C#N)cc1)CC[NH+](C)C ZINC000288311911 437308094 /nfs/dbraw/zinc/30/80/94/437308094.db2.gz HRAGFCUGDUDPFC-UHFFFAOYSA-N 1 1 338.477 0.861 20 30 ECEDMO C[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)n1cnc(C#N)n1 ZINC000336985093 437319400 /nfs/dbraw/zinc/31/94/00/437319400.db2.gz GZUUJKUHNAVNJD-LSDHHAIUSA-N 1 1 345.451 0.339 20 30 ECEDMO N#CCCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181479158 437321740 /nfs/dbraw/zinc/32/17/40/437321740.db2.gz XWOOCQIPWYWTQU-INIZCTEOSA-N 1 1 337.445 0.976 20 30 ECEDMO CN1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC000328847425 437272171 /nfs/dbraw/zinc/27/21/71/437272171.db2.gz AQZFLURZGCNMDP-RRFJBIMHSA-N 1 1 333.436 0.764 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CCOC[C@H]2c2ncnn2C)C[N@H+]1C1CC1 ZINC000328854334 437272417 /nfs/dbraw/zinc/27/24/17/437272417.db2.gz CICFBLHFYQZRIO-DYEKYZERSA-N 1 1 334.424 0.728 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000288189424 437291330 /nfs/dbraw/zinc/29/13/30/437291330.db2.gz RSJIIBGWLPDBCM-KRWDZBQOSA-N 1 1 345.443 0.904 20 30 ECEDMO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000336870351 437299121 /nfs/dbraw/zinc/29/91/21/437299121.db2.gz IYXBQULKMPIAJQ-CABCVRRESA-N 1 1 338.429 0.664 20 30 ECEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000336870351 437299124 /nfs/dbraw/zinc/29/91/24/437299124.db2.gz IYXBQULKMPIAJQ-CABCVRRESA-N 1 1 338.429 0.664 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000328997737 437301661 /nfs/dbraw/zinc/30/16/61/437301661.db2.gz UXNFTMSAKZHTCR-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000328997737 437301664 /nfs/dbraw/zinc/30/16/64/437301664.db2.gz UXNFTMSAKZHTCR-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000268023081 437355890 /nfs/dbraw/zinc/35/58/90/437355890.db2.gz CAGFHAISMRIAAP-GFCCVEGCSA-N 1 1 349.822 0.512 20 30 ECEDMO Cn1cnnc1[C@@H]1CCCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329155953 437327149 /nfs/dbraw/zinc/32/71/49/437327149.db2.gz BVABXKWEWPSYBF-ZDUSSCGKSA-N 1 1 349.439 0.030 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000337078741 437328575 /nfs/dbraw/zinc/32/85/75/437328575.db2.gz VGLUSNSMZFDJQM-ZDUSSCGKSA-N 1 1 346.453 0.036 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCOCC2(CCOCC2)C1 ZINC000329753803 437409259 /nfs/dbraw/zinc/40/92/59/437409259.db2.gz KHXGGMGLBFJAQT-OAHLLOKOSA-N 1 1 340.468 0.275 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCOC[C@@H]2C[C@H](C)O)C1 ZINC000329793349 437414884 /nfs/dbraw/zinc/41/48/84/437414884.db2.gz AZLZIKGTNXTKHG-HRCADAONSA-N 1 1 343.468 0.729 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCCS(=O)(=O)C2)CCSC1 ZINC000329801400 437415109 /nfs/dbraw/zinc/41/51/09/437415109.db2.gz YSIOAJCDFSYLBO-AAEUAGOBSA-N 1 1 335.495 0.505 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCN2C(=O)NC[C@@H]2C1)[NH+]1CCOCC1 ZINC000329813675 437416854 /nfs/dbraw/zinc/41/68/54/437416854.db2.gz TVRAHLRBPDMTIG-KGLIPLIRSA-N 1 1 339.440 0.171 20 30 ECEDMO C=CCn1c(C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000289597033 437426885 /nfs/dbraw/zinc/42/68/85/437426885.db2.gz ILDQCLCLDMVGKV-UHFFFAOYSA-N 1 1 332.452 0.907 20 30 ECEDMO C=CCn1c(C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000289597033 437426886 /nfs/dbraw/zinc/42/68/86/437426886.db2.gz ILDQCLCLDMVGKV-UHFFFAOYSA-N 1 1 332.452 0.907 20 30 ECEDMO C=C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329518883 437378350 /nfs/dbraw/zinc/37/83/50/437378350.db2.gz ZOSHKUGLPNSGRN-MRXNPFEDSA-N 1 1 335.448 0.878 20 30 ECEDMO C[C@H]1CCC[N@@H+](CCNC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000329918370 437431211 /nfs/dbraw/zinc/43/12/11/437431211.db2.gz REJJNUFWWKASHQ-AWEZNQCLSA-N 1 1 346.497 0.252 20 30 ECEDMO CCN1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000329646408 437397271 /nfs/dbraw/zinc/39/72/71/437397271.db2.gz AZMIPYJIIRSJQB-CQSZACIVSA-N 1 1 326.441 0.421 20 30 ECEDMO C[C@H](NC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000330213309 437469614 /nfs/dbraw/zinc/46/96/14/437469614.db2.gz KWLNRWRQZXPGCV-QWHCGFSZSA-N 1 1 329.466 0.917 20 30 ECEDMO C[C@@H](Cn1cncn1)NC([O-])=[NH+]c1ccn(C2CC[NH+](C)CC2)n1 ZINC000330205478 437470360 /nfs/dbraw/zinc/47/03/60/437470360.db2.gz DLDABNOMAWHLHG-LBPRGKRZSA-N 1 1 332.412 1.156 20 30 ECEDMO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000330239293 437473221 /nfs/dbraw/zinc/47/32/21/437473221.db2.gz BBVLSFSKMNGVNG-ZIAGYGMSSA-N 1 1 330.392 0.709 20 30 ECEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC(=O)N1CCOCC1 ZINC000330253400 437475217 /nfs/dbraw/zinc/47/52/17/437475217.db2.gz AOERBDDDALIEDG-UHFFFAOYSA-N 1 1 346.391 0.386 20 30 ECEDMO Nc1nsc(N2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)n1 ZINC000330281014 437479399 /nfs/dbraw/zinc/47/93/99/437479399.db2.gz TZZZMLKCZSHHFR-JTQLQIEISA-N 1 1 348.436 0.368 20 30 ECEDMO C[C@@H]1CN(CC(=O)NC[C@@H]2Cc3ccccc3O2)CC[N@@H+]1CCO ZINC000330289648 437479867 /nfs/dbraw/zinc/47/98/67/437479867.db2.gz CAHIMBAHRBCSOX-ZBFHGGJFSA-N 1 1 333.432 0.945 20 30 ECEDMO C[C@@H]1CN(CC(=O)NC[C@@H]2Cc3ccccc3O2)CC[N@H+]1CCO ZINC000330289648 437479869 /nfs/dbraw/zinc/47/98/69/437479869.db2.gz CAHIMBAHRBCSOX-ZBFHGGJFSA-N 1 1 333.432 0.945 20 30 ECEDMO C[C@@H]1CCS(=O)(=O)CCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000330331336 437483583 /nfs/dbraw/zinc/48/35/83/437483583.db2.gz OAIKLVIUYTWVNI-OLZOCXBDSA-N 1 1 329.466 0.894 20 30 ECEDMO C[C@H]1CCS(=O)(=O)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000330336443 437485605 /nfs/dbraw/zinc/48/56/05/437485605.db2.gz SMKQNSHBBHFYGP-NSHDSACASA-N 1 1 343.453 0.409 20 30 ECEDMO CC[NH+]1CCC(NC(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC000330337591 437486987 /nfs/dbraw/zinc/48/69/87/437486987.db2.gz UEENWPRQVSXJFT-ZDUSSCGKSA-N 1 1 349.439 0.412 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@H]21 ZINC000339016130 437434723 /nfs/dbraw/zinc/43/47/23/437434723.db2.gz GHVIBDINFHMERP-ZIAGYGMSSA-N 1 1 330.454 0.262 20 30 ECEDMO CN1CCO[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]21 ZINC000329949557 437435614 /nfs/dbraw/zinc/43/56/14/437435614.db2.gz HLFBZBPUIXYCGF-YESZJQIVSA-N 1 1 326.400 0.678 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC1(O)CCC1 ZINC000329948708 437435922 /nfs/dbraw/zinc/43/59/22/437435922.db2.gz KYBUOIJYZCEOCE-CQSZACIVSA-N 1 1 339.436 0.571 20 30 ECEDMO O=C(N[C@@H]1CC[S@@](=O)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000330010767 437444601 /nfs/dbraw/zinc/44/46/01/437444601.db2.gz HHEATDPCZZZOHF-PEBXRYMYSA-N 1 1 329.466 0.466 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)CCSC1 ZINC000330187642 437465509 /nfs/dbraw/zinc/46/55/09/437465509.db2.gz KOECAQQBSBQEAQ-OCCSQVGLSA-N 1 1 349.522 0.704 20 30 ECEDMO O=C(N[C@@H]1CCn2ccnc2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000330184287 437465598 /nfs/dbraw/zinc/46/55/98/437465598.db2.gz IKTDOEXRHKZSQT-CQSZACIVSA-N 1 1 333.436 0.909 20 30 ECEDMO Cc1ccc(CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c(=O)n1C ZINC000330208324 437468925 /nfs/dbraw/zinc/46/89/25/437468925.db2.gz AZDASXDASJCMBN-CQSZACIVSA-N 1 1 349.479 0.723 20 30 ECEDMO CCNC(=O)[C@H](C)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000330386471 437497027 /nfs/dbraw/zinc/49/70/27/437497027.db2.gz VENCYIMBQHIMOX-AVGNSLFASA-N 1 1 328.457 0.902 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000330396895 437500824 /nfs/dbraw/zinc/50/08/24/437500824.db2.gz RYNUJVZVVHFKAA-KGLIPLIRSA-N 1 1 332.470 0.365 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000330396895 437500830 /nfs/dbraw/zinc/50/08/30/437500830.db2.gz RYNUJVZVVHFKAA-KGLIPLIRSA-N 1 1 332.470 0.365 20 30 ECEDMO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000330405371 437503157 /nfs/dbraw/zinc/50/31/57/437503157.db2.gz NKLBWIGDQLQVIZ-MJBXVCDLSA-N 1 1 327.425 0.679 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)N2C[C@@H](C)[C@](C)(C(=O)OC)C2)C1 ZINC000330410744 437504926 /nfs/dbraw/zinc/50/49/26/437504926.db2.gz KZAXSMKNOUKPSM-XJKCOSOUSA-N 1 1 327.425 0.752 20 30 ECEDMO Cn1cc([C@H]2OCC[C@@H]2C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000330358341 437488757 /nfs/dbraw/zinc/48/87/57/437488757.db2.gz USDARSOCLLREJY-GOEBONIOSA-N 1 1 349.435 0.618 20 30 ECEDMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000330575553 437556170 /nfs/dbraw/zinc/55/61/70/437556170.db2.gz MAYGMVLEKDBPCW-HZSPNIEDSA-N 1 1 326.441 0.610 20 30 ECEDMO C[NH+]1CCN([C@H](C(=O)N2CC(O)(CC#N)C2)c2ccccc2)CC1 ZINC000188679635 437563646 /nfs/dbraw/zinc/56/36/46/437563646.db2.gz DQPSMDJGYKTPDV-INIZCTEOSA-N 1 1 328.416 0.462 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC000330601044 437564753 /nfs/dbraw/zinc/56/47/53/437564753.db2.gz ZCBNZDAUPDMJIU-KBPBESRZSA-N 1 1 343.424 0.131 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330852622 437634071 /nfs/dbraw/zinc/63/40/71/437634071.db2.gz FZEKPGCXSJUQBM-SFHVURJKSA-N 1 1 337.464 0.716 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC3)C2)CC1 ZINC000343765359 437649644 /nfs/dbraw/zinc/64/96/44/437649644.db2.gz NCHRVQDVBXZLRF-KRWDZBQOSA-N 1 1 348.491 0.838 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000330980514 437664097 /nfs/dbraw/zinc/66/40/97/437664097.db2.gz PMFCLYBSHZJDBR-HZSPNIEDSA-N 1 1 342.440 0.882 20 30 ECEDMO C[C@H](O)C[C@@H]1COCCN1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000331017604 437671130 /nfs/dbraw/zinc/67/11/30/437671130.db2.gz YTWONRNVKMDXPL-SOUVJXGZSA-N 1 1 329.441 0.340 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ncnc3onc(C)c32)CC1 ZINC000192454308 437677918 /nfs/dbraw/zinc/67/79/18/437677918.db2.gz HCWSSOWGBQDPSM-UHFFFAOYSA-N 1 1 328.376 0.188 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ncnc3onc(C)c32)CC1 ZINC000192454308 437677926 /nfs/dbraw/zinc/67/79/26/437677926.db2.gz HCWSSOWGBQDPSM-UHFFFAOYSA-N 1 1 328.376 0.188 20 30 ECEDMO O=C(Nc1cccn(CC(F)(F)F)c1=O)N1CC[NH+](CCO)CC1 ZINC000331086493 437683947 /nfs/dbraw/zinc/68/39/47/437683947.db2.gz RFGSIBKCFKCDTD-UHFFFAOYSA-N 1 1 348.325 0.566 20 30 ECEDMO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)c(C)o1 ZINC000331218539 437719702 /nfs/dbraw/zinc/71/97/02/437719702.db2.gz RZRNWWPTPUPKLK-LLVKDONJSA-N 1 1 345.421 0.521 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370354492 437768487 /nfs/dbraw/zinc/76/84/87/437768487.db2.gz DDXSVYZOEFLDDC-IXDOHACOSA-N 1 1 336.480 0.916 20 30 ECEDMO CN1CCN(C)[C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000331296419 437734904 /nfs/dbraw/zinc/73/49/04/437734904.db2.gz NBDCAUBMHQPLBL-GPANFISMSA-N 1 1 325.501 0.856 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000341210298 437816416 /nfs/dbraw/zinc/81/64/16/437816416.db2.gz VWIYKZOWGMHNHR-HUUCEWRRSA-N 1 1 337.468 0.099 20 30 ECEDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000346843817 437819876 /nfs/dbraw/zinc/81/98/76/437819876.db2.gz XKIQLPVBKZWUAY-KBPBESRZSA-N 1 1 336.436 0.412 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2C[N@H+](CC)CCO2)n1 ZINC000364781601 437823766 /nfs/dbraw/zinc/82/37/66/437823766.db2.gz VFFFUBJHKZHCDY-MRXNPFEDSA-N 1 1 334.420 0.212 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2C[N@@H+](CC)CCO2)n1 ZINC000364781601 437823771 /nfs/dbraw/zinc/82/37/71/437823771.db2.gz VFFFUBJHKZHCDY-MRXNPFEDSA-N 1 1 334.420 0.212 20 30 ECEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC(=O)NCC#N)[C@H](C)C1 ZINC000345020796 437777697 /nfs/dbraw/zinc/77/76/97/437777697.db2.gz ZTICGTRHFAAENA-ZIAGYGMSSA-N 1 1 339.440 0.062 20 30 ECEDMO CC(C)[C@H](CNC(=O)CNc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000345519602 437792756 /nfs/dbraw/zinc/79/27/56/437792756.db2.gz FKSKHYIQKMDSFV-HNNXBMFYSA-N 1 1 331.420 0.838 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000363678563 437805491 /nfs/dbraw/zinc/80/54/91/437805491.db2.gz LMIFXWAKRLXLAP-GFCCVEGCSA-N 1 1 347.419 0.609 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000341445663 437846106 /nfs/dbraw/zinc/84/61/06/437846106.db2.gz BZLXAHVJIYLSTF-GOSISDBHSA-N 1 1 346.431 0.437 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370896888 437856910 /nfs/dbraw/zinc/85/69/10/437856910.db2.gz DCQFXWZBWQILIW-KBPBESRZSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370896888 437856915 /nfs/dbraw/zinc/85/69/15/437856915.db2.gz DCQFXWZBWQILIW-KBPBESRZSA-N 1 1 336.436 0.864 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425217258 438018995 /nfs/dbraw/zinc/01/89/95/438018995.db2.gz UJVFZJFOXNBQBJ-UONOGXRCSA-N 1 1 330.454 0.119 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000342558053 438030386 /nfs/dbraw/zinc/03/03/86/438030386.db2.gz PYGMUAYDPWICJV-CYBMUJFWSA-N 1 1 338.433 0.088 20 30 ECEDMO C=CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1CC1 ZINC000357534267 438004018 /nfs/dbraw/zinc/00/40/18/438004018.db2.gz YXHSWGASYYGBGB-UHFFFAOYSA-N 1 1 331.482 0.813 20 30 ECEDMO C=CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1CC1 ZINC000357534267 438004022 /nfs/dbraw/zinc/00/40/22/438004022.db2.gz YXHSWGASYYGBGB-UHFFFAOYSA-N 1 1 331.482 0.813 20 30 ECEDMO COCCNC(=O)CN1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342766328 438060191 /nfs/dbraw/zinc/06/01/91/438060191.db2.gz ULRUMFXOBODQHI-UHFFFAOYSA-N 1 1 330.432 0.633 20 30 ECEDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CCC(=O)N(C)CCC#N ZINC000372273665 438060226 /nfs/dbraw/zinc/06/02/26/438060226.db2.gz NIFCOXZORLRQEI-ZIAGYGMSSA-N 1 1 325.409 0.791 20 30 ECEDMO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366422934 438071617 /nfs/dbraw/zinc/07/16/17/438071617.db2.gz TWCMEAVMWOHQJB-DZGCQCFKSA-N 1 1 332.404 0.948 20 30 ECEDMO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366422934 438071621 /nfs/dbraw/zinc/07/16/21/438071621.db2.gz TWCMEAVMWOHQJB-DZGCQCFKSA-N 1 1 332.404 0.948 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000366786508 438126508 /nfs/dbraw/zinc/12/65/08/438126508.db2.gz JRHCIWVBGPZFEG-AWEZNQCLSA-N 1 1 333.436 0.628 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000358029118 438127409 /nfs/dbraw/zinc/12/74/09/438127409.db2.gz QVNMGDYNCZQBTE-UHFFFAOYSA-N 1 1 329.404 0.250 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366829602 438133428 /nfs/dbraw/zinc/13/34/28/438133428.db2.gz JGFZHVZZAREFBO-AWEZNQCLSA-N 1 1 341.419 0.894 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366829602 438133431 /nfs/dbraw/zinc/13/34/31/438133431.db2.gz JGFZHVZZAREFBO-AWEZNQCLSA-N 1 1 341.419 0.894 20 30 ECEDMO CN1C[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCN2C1=O ZINC000373226858 438137070 /nfs/dbraw/zinc/13/70/70/438137070.db2.gz IUBYPLRHJPCAAM-HUUCEWRRSA-N 1 1 330.388 0.350 20 30 ECEDMO CN1C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCN2C1=O ZINC000373226858 438137075 /nfs/dbraw/zinc/13/70/75/438137075.db2.gz IUBYPLRHJPCAAM-HUUCEWRRSA-N 1 1 330.388 0.350 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000358193960 438177942 /nfs/dbraw/zinc/17/79/42/438177942.db2.gz HXAWMGBMWNJNJQ-CQSZACIVSA-N 1 1 327.381 0.183 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000431975980 438178269 /nfs/dbraw/zinc/17/82/69/438178269.db2.gz ZAEOLQTTXBHWOZ-UHFFFAOYSA-N 1 1 332.429 0.970 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000358193959 438178809 /nfs/dbraw/zinc/17/88/09/438178809.db2.gz HXAWMGBMWNJNJQ-AWEZNQCLSA-N 1 1 327.381 0.183 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358206186 438181064 /nfs/dbraw/zinc/18/10/64/438181064.db2.gz JLWSXCGJKRSVSL-ZIAGYGMSSA-N 1 1 331.482 0.800 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000367250427 438189648 /nfs/dbraw/zinc/18/96/48/438189648.db2.gz IMFYBIWLKYAIBM-LSDHHAIUSA-N 1 1 343.497 0.034 20 30 ECEDMO Cc1cc(N2CCC(NC(=O)NCC(=O)NCC#N)CC2)nc(C)[nH+]1 ZINC000358274395 438190927 /nfs/dbraw/zinc/19/09/27/438190927.db2.gz LSAQDMIQMAGLDR-UHFFFAOYSA-N 1 1 345.407 0.001 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000374589919 438217486 /nfs/dbraw/zinc/21/74/86/438217486.db2.gz CIGQJEIUKFOUNO-LBPRGKRZSA-N 1 1 325.438 0.830 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cnccc1C#N ZINC000358483984 438236023 /nfs/dbraw/zinc/23/60/23/438236023.db2.gz PNTBBFZNTHIIEY-OAHLLOKOSA-N 1 1 329.404 0.626 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000367404676 438206555 /nfs/dbraw/zinc/20/65/55/438206555.db2.gz JRIRSFAYPWAKRY-UHFFFAOYSA-N 1 1 326.422 0.619 20 30 ECEDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000375743929 438262759 /nfs/dbraw/zinc/26/27/59/438262759.db2.gz QEYVZHPPZSUMMG-YJBOKZPZSA-N 1 1 342.443 0.969 20 30 ECEDMO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000367956044 438270726 /nfs/dbraw/zinc/27/07/26/438270726.db2.gz LVKDUOABQRXJGA-UHFFFAOYSA-N 1 1 325.438 0.211 20 30 ECEDMO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000367956044 438270730 /nfs/dbraw/zinc/27/07/30/438270730.db2.gz LVKDUOABQRXJGA-UHFFFAOYSA-N 1 1 325.438 0.211 20 30 ECEDMO CC1(C#N)CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000367981483 438273053 /nfs/dbraw/zinc/27/30/53/438273053.db2.gz JVXSFFRWDCHPJI-MRXNPFEDSA-N 1 1 349.479 0.728 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC(=O)NCC#N ZINC000376310943 438277936 /nfs/dbraw/zinc/27/79/36/438277936.db2.gz SJBMGFZDJWOJRG-HOCLYGCPSA-N 1 1 343.431 0.836 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2n[nH]c(C)c2C#N)CC1=O ZINC000377244781 438306305 /nfs/dbraw/zinc/30/63/05/438306305.db2.gz VRRQPEXPRHUIRW-STQMWFEESA-N 1 1 344.419 0.861 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCCN1CC#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000351635243 438309911 /nfs/dbraw/zinc/30/99/11/438309911.db2.gz UZQACYIOEBOKAL-HOTGVXAUSA-N 1 1 334.464 0.095 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCCN1CC#CC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000351635243 438309916 /nfs/dbraw/zinc/30/99/16/438309916.db2.gz UZQACYIOEBOKAL-HOTGVXAUSA-N 1 1 334.464 0.095 20 30 ECEDMO C[N@@H+]1CC[C@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C[C@H]21 ZINC000377603197 438314011 /nfs/dbraw/zinc/31/40/11/438314011.db2.gz GHAXVEXBZRIHNX-LSDHHAIUSA-N 1 1 334.445 0.753 20 30 ECEDMO C[N@H+]1CC[C@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C[C@H]21 ZINC000377603197 438314016 /nfs/dbraw/zinc/31/40/16/438314016.db2.gz GHAXVEXBZRIHNX-LSDHHAIUSA-N 1 1 334.445 0.753 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000368706612 438370656 /nfs/dbraw/zinc/37/06/56/438370656.db2.gz LEHNVIGDMYXFMU-ZDUSSCGKSA-N 1 1 333.392 0.512 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000368706612 438370660 /nfs/dbraw/zinc/37/06/60/438370660.db2.gz LEHNVIGDMYXFMU-ZDUSSCGKSA-N 1 1 333.392 0.512 20 30 ECEDMO COC(=O)CNC(=O)CC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000369188534 438433617 /nfs/dbraw/zinc/43/36/17/438433617.db2.gz PRLDXSWUUWPOLG-UHFFFAOYSA-N 1 1 344.415 0.750 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000392560821 438442312 /nfs/dbraw/zinc/44/23/12/438442312.db2.gz MGMMYUAUNJIXFT-OAGGEKHMSA-N 1 1 329.400 0.898 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000392560817 438443153 /nfs/dbraw/zinc/44/31/53/438443153.db2.gz MGMMYUAUNJIXFT-ARFHVFGLSA-N 1 1 329.400 0.898 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000359262209 438395385 /nfs/dbraw/zinc/39/53/85/438395385.db2.gz LMCCTAIIIOUUMM-ILXRZTDVSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369359606 438459511 /nfs/dbraw/zinc/45/95/11/438459511.db2.gz RVMQCAKNCWQDOM-HUUCEWRRSA-N 1 1 337.468 0.099 20 30 ECEDMO Cc1cc(C#N)nc(NCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000439110612 438500458 /nfs/dbraw/zinc/50/04/58/438500458.db2.gz ZUMFICOOHBTGFE-UHFFFAOYSA-N 1 1 338.419 1.071 20 30 ECEDMO C[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[N@H+]1CC(C)(C)O ZINC000444762792 438664262 /nfs/dbraw/zinc/66/42/62/438664262.db2.gz SLZSNWXDUTYCBS-OAHLLOKOSA-N 1 1 344.459 0.951 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411972941 438683173 /nfs/dbraw/zinc/68/31/73/438683173.db2.gz WQZMHSMCXMEDNC-SCLBCKFNSA-N 1 1 344.415 0.516 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411965929 438683323 /nfs/dbraw/zinc/68/33/23/438683323.db2.gz KPMTVBHJGBBLOT-SFHVURJKSA-N 1 1 328.416 0.878 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000411915270 438683487 /nfs/dbraw/zinc/68/34/87/438683487.db2.gz ZAYRMKVASDXWNY-LSDHHAIUSA-N 1 1 325.453 0.836 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000411915270 438683492 /nfs/dbraw/zinc/68/34/92/438683492.db2.gz ZAYRMKVASDXWNY-LSDHHAIUSA-N 1 1 325.453 0.836 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000411915270 438683494 /nfs/dbraw/zinc/68/34/94/438683494.db2.gz ZAYRMKVASDXWNY-LSDHHAIUSA-N 1 1 325.453 0.836 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)CC12COC2 ZINC000451138198 438696807 /nfs/dbraw/zinc/69/68/07/438696807.db2.gz QFCBGUHNJINWPE-KBPBESRZSA-N 1 1 337.420 0.506 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)CC12COC2 ZINC000451138198 438696809 /nfs/dbraw/zinc/69/68/09/438696809.db2.gz QFCBGUHNJINWPE-KBPBESRZSA-N 1 1 337.420 0.506 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000453821640 438697629 /nfs/dbraw/zinc/69/76/29/438697629.db2.gz PXLCXYGNROJJDO-HNNXBMFYSA-N 1 1 330.388 0.460 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000413900436 438697769 /nfs/dbraw/zinc/69/77/69/438697769.db2.gz KTAQXSRMXQNXSA-ZDUSSCGKSA-N 1 1 333.388 0.823 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413900436 438697771 /nfs/dbraw/zinc/69/77/71/438697771.db2.gz KTAQXSRMXQNXSA-ZDUSSCGKSA-N 1 1 333.388 0.823 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000451325743 438698116 /nfs/dbraw/zinc/69/81/16/438698116.db2.gz AGZJDLJBBDKYRV-MRXNPFEDSA-N 1 1 337.420 0.841 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000451325743 438698118 /nfs/dbraw/zinc/69/81/18/438698118.db2.gz AGZJDLJBBDKYRV-MRXNPFEDSA-N 1 1 337.420 0.841 20 30 ECEDMO CN(C(=O)CNc1ccc(C#N)cn1)C(C)(C)C[NH+]1CCOCC1 ZINC000414043982 438700190 /nfs/dbraw/zinc/70/01/90/438700190.db2.gz RUDDXNZBRVWTAV-UHFFFAOYSA-N 1 1 331.420 0.934 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c(F)c1 ZINC000574898876 438726260 /nfs/dbraw/zinc/72/62/60/438726260.db2.gz JAAGGEWEHQAIID-ZDUSSCGKSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(F)c1 ZINC000574898876 438726264 /nfs/dbraw/zinc/72/62/64/438726264.db2.gz JAAGGEWEHQAIID-ZDUSSCGKSA-N 1 1 341.408 0.822 20 30 ECEDMO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000549655348 438736135 /nfs/dbraw/zinc/73/61/35/438736135.db2.gz SVRWZTJLVCNMIW-AWEZNQCLSA-N 1 1 348.451 0.513 20 30 ECEDMO C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000549655348 438736139 /nfs/dbraw/zinc/73/61/39/438736139.db2.gz SVRWZTJLVCNMIW-AWEZNQCLSA-N 1 1 348.451 0.513 20 30 ECEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCCC1N=NC1=[NH+]CCN1 ZINC000497285410 438789171 /nfs/dbraw/zinc/78/91/71/438789171.db2.gz STQVWBJCEMKWGI-QWRGUYRKSA-N 1 1 325.413 0.841 20 30 ECEDMO C[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000588127454 438821414 /nfs/dbraw/zinc/82/14/14/438821414.db2.gz HXZLSKPLURZILW-LSDHHAIUSA-N 1 1 349.479 0.327 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Cn3ccnn3)C2)nc1 ZINC000595608797 438835023 /nfs/dbraw/zinc/83/50/23/438835023.db2.gz WOHZJCFDIIRWLE-AWEZNQCLSA-N 1 1 346.416 0.341 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](Cn3ccnn3)C2)nc1 ZINC000595608797 438835027 /nfs/dbraw/zinc/83/50/27/438835027.db2.gz WOHZJCFDIIRWLE-AWEZNQCLSA-N 1 1 346.416 0.341 20 30 ECEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863647 438847000 /nfs/dbraw/zinc/84/70/00/438847000.db2.gz SKYAQGKBJHVVHP-BPUTZDHNSA-N 1 1 329.400 0.993 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC3(C#N)CC3)CC2)CC1 ZINC000562388377 438852964 /nfs/dbraw/zinc/85/29/64/438852964.db2.gz NPQPAHZDKBVSOY-UHFFFAOYSA-N 1 1 347.463 0.876 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590279234 438906215 /nfs/dbraw/zinc/90/62/15/438906215.db2.gz AOFRLLZJOGHEKO-OCCSQVGLSA-N 1 1 328.372 0.668 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCOc3ccc(C#N)cc3)C[C@H]21 ZINC000595788937 438861115 /nfs/dbraw/zinc/86/11/15/438861115.db2.gz LKVGEWGTMLUHGR-XHSDSOJGSA-N 1 1 336.413 0.681 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCOc3ccc(C#N)cc3)C[C@H]21 ZINC000595788937 438861121 /nfs/dbraw/zinc/86/11/21/438861121.db2.gz LKVGEWGTMLUHGR-XHSDSOJGSA-N 1 1 336.413 0.681 20 30 ECEDMO C=CCC[C@@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000458214671 438865339 /nfs/dbraw/zinc/86/53/39/438865339.db2.gz KGRNFHFFWWJPJX-LSDHHAIUSA-N 1 1 340.468 0.555 20 30 ECEDMO C=CCC[C@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000458214669 438866001 /nfs/dbraw/zinc/86/60/01/438866001.db2.gz KGRNFHFFWWJPJX-HUUCEWRRSA-N 1 1 340.468 0.555 20 30 ECEDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000595851953 438869975 /nfs/dbraw/zinc/86/99/75/438869975.db2.gz WFSCLTQDYRNLKG-HNNXBMFYSA-N 1 1 333.436 0.879 20 30 ECEDMO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000601392038 438872261 /nfs/dbraw/zinc/87/22/61/438872261.db2.gz DMWXPJWDVKQZEL-AWEZNQCLSA-N 1 1 327.381 0.351 20 30 ECEDMO C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)[C@@H]2C1 ZINC000590282629 438907919 /nfs/dbraw/zinc/90/79/19/438907919.db2.gz VWXIDVMHDHJQAC-WCQYABFASA-N 1 1 344.419 0.611 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000565240496 438935297 /nfs/dbraw/zinc/93/52/97/438935297.db2.gz XEZDGAPMXSYHFI-CQSZACIVSA-N 1 1 327.381 0.183 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(=O)NCC#N ZINC000601632022 438944782 /nfs/dbraw/zinc/94/47/82/438944782.db2.gz JRVOYXKTEPUSJF-ZBFHGGJFSA-N 1 1 343.431 0.693 20 30 ECEDMO C=CCN(CCOC)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000459217406 438952890 /nfs/dbraw/zinc/95/28/90/438952890.db2.gz XKOVWBFXWFLZAV-UHFFFAOYSA-N 1 1 341.452 0.712 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000590758624 438955436 /nfs/dbraw/zinc/95/54/36/438955436.db2.gz QBTQKSUZTOGXFZ-YUELXQCFSA-N 1 1 340.383 0.526 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000590971672 438972154 /nfs/dbraw/zinc/97/21/54/438972154.db2.gz DZOWZBNWSGEJRB-ZACQAIPSSA-N 1 1 334.464 0.790 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602029486 438999474 /nfs/dbraw/zinc/99/94/74/438999474.db2.gz GJPVJHHSIMOIGB-HNNXBMFYSA-N 1 1 348.378 0.863 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)nn1 ZINC000566143462 439013424 /nfs/dbraw/zinc/01/34/24/439013424.db2.gz IWGLLMAFFPRCQD-CQSZACIVSA-N 1 1 348.451 0.859 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)c1C#N ZINC000602149011 439023276 /nfs/dbraw/zinc/02/32/76/439023276.db2.gz QAAHDKNJSONRGW-HNNXBMFYSA-N 1 1 330.436 0.733 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000579620259 439027715 /nfs/dbraw/zinc/02/77/15/439027715.db2.gz BVFSXLRGSXZMMA-SOUVJXGZSA-N 1 1 344.481 0.508 20 30 ECEDMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)s1 ZINC000519540316 439037317 /nfs/dbraw/zinc/03/73/17/439037317.db2.gz PIYKZEGJLNICFD-GHMZBOCLSA-N 1 1 326.422 0.787 20 30 ECEDMO CCN(C(=O)C(=O)NC1CCN(CC#N)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000597257914 439063804 /nfs/dbraw/zinc/06/38/04/439063804.db2.gz JTRIGPSZNGCLJY-HNNXBMFYSA-N 1 1 335.452 0.033 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)N1CC[NH+](C)CC1 ZINC000591903878 439107452 /nfs/dbraw/zinc/10/74/52/439107452.db2.gz YGLTZZJUZFXNOH-RDJZCZTQSA-N 1 1 337.468 0.318 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(F)(C#N)CC2)CC1 ZINC000479343319 439116537 /nfs/dbraw/zinc/11/65/37/439116537.db2.gz MMZIYSVWFMQIEX-UHFFFAOYSA-N 1 1 325.388 0.188 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2(C#N)CCCCC2)C1 ZINC000597251674 439064447 /nfs/dbraw/zinc/06/44/47/439064447.db2.gz DBZIEEDLUGOZAF-AWEZNQCLSA-N 1 1 336.436 0.414 20 30 ECEDMO CN1CCN(C(C)(C)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000591739445 439077707 /nfs/dbraw/zinc/07/77/07/439077707.db2.gz VZBCWUFHTHREDX-KRWDZBQOSA-N 1 1 346.475 0.914 20 30 ECEDMO CC(C)N1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1=O ZINC000591742140 439080000 /nfs/dbraw/zinc/08/00/00/439080000.db2.gz AWRHDNGKPHYHOQ-OAHLLOKOSA-N 1 1 335.429 0.931 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@](C)(CO)C1 ZINC000602963573 439170879 /nfs/dbraw/zinc/17/08/79/439170879.db2.gz GXWVHSQMWCJURG-RYQLBKOJSA-N 1 1 334.416 0.964 20 30 ECEDMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@](O)(CC#N)C3)CC2)c1 ZINC000592147603 439164410 /nfs/dbraw/zinc/16/44/10/439164410.db2.gz MQIVWRZQESMWPM-IBGZPJMESA-N 1 1 342.443 0.994 20 30 ECEDMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@](O)(CC#N)C3)CC2)c1 ZINC000592147603 439164414 /nfs/dbraw/zinc/16/44/14/439164414.db2.gz MQIVWRZQESMWPM-IBGZPJMESA-N 1 1 342.443 0.994 20 30 ECEDMO C[N@H+](CCN1C(=O)c2ccccc2C1=O)CC(=O)NC1(C#N)CCC1 ZINC000525886614 439223346 /nfs/dbraw/zinc/22/33/46/439223346.db2.gz GLWPSDQZKKWUCZ-UHFFFAOYSA-N 1 1 340.383 0.777 20 30 ECEDMO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)CC(=O)NC1(C#N)CCC1 ZINC000525886614 439223349 /nfs/dbraw/zinc/22/33/49/439223349.db2.gz GLWPSDQZKKWUCZ-UHFFFAOYSA-N 1 1 340.383 0.777 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000592184276 439174838 /nfs/dbraw/zinc/17/48/38/439174838.db2.gz IDQUZZRKOPKCIQ-ZWNOBZJWSA-N 1 1 334.342 0.747 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000592184276 439174842 /nfs/dbraw/zinc/17/48/42/439174842.db2.gz IDQUZZRKOPKCIQ-ZWNOBZJWSA-N 1 1 334.342 0.747 20 30 ECEDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cccc(C)c1C#N ZINC000592388711 439217838 /nfs/dbraw/zinc/21/78/38/439217838.db2.gz NNPZKPFNNSVMHO-CYBMUJFWSA-N 1 1 337.401 0.392 20 30 ECEDMO CC(=O)N1CCN([C@@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H]2C)CC1 ZINC000598597571 439284085 /nfs/dbraw/zinc/28/40/85/439284085.db2.gz YXULPQNAPHFAKA-USXIJHARSA-N 1 1 336.480 0.772 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)n(CCC#N)n1 ZINC000527149802 439258204 /nfs/dbraw/zinc/25/82/04/439258204.db2.gz OMNKKJBJMRQOSJ-QWHCGFSZSA-N 1 1 332.408 0.595 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)n(CCC#N)n1 ZINC000527149802 439258208 /nfs/dbraw/zinc/25/82/08/439258208.db2.gz OMNKKJBJMRQOSJ-QWHCGFSZSA-N 1 1 332.408 0.595 20 30 ECEDMO C[N@H+]1CCCC[C@H]1CN1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000527377578 439269409 /nfs/dbraw/zinc/26/94/09/439269409.db2.gz XAKGTYHIIVVCER-INIZCTEOSA-N 1 1 333.480 0.651 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490925820 439312860 /nfs/dbraw/zinc/31/28/60/439312860.db2.gz YKBFZXPNPBNSAV-NWANDNLSSA-N 1 1 339.461 0.301 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490925820 439312866 /nfs/dbraw/zinc/31/28/66/439312866.db2.gz YKBFZXPNPBNSAV-NWANDNLSSA-N 1 1 339.461 0.301 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000491067855 439327865 /nfs/dbraw/zinc/32/78/65/439327865.db2.gz KNCDMUOZSSFZEQ-CQSZACIVSA-N 1 1 345.465 0.051 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000491125462 439334449 /nfs/dbraw/zinc/33/44/49/439334449.db2.gz FBRVLUOPBPFQRI-HUUCEWRRSA-N 1 1 332.404 0.543 20 30 ECEDMO C#CCNc1nc(NCc2ccccn2)[nH+]c(NCc2ccccn2)n1 ZINC000491125618 439335344 /nfs/dbraw/zinc/33/53/44/439335344.db2.gz FWBBMIXDXZLFCA-UHFFFAOYSA-N 1 1 346.398 0.197 20 30 ECEDMO C#CCNc1nc(NCc2ccccn2)nc(NCc2ccccn2)[nH+]1 ZINC000491125618 439335350 /nfs/dbraw/zinc/33/53/50/439335350.db2.gz FWBBMIXDXZLFCA-UHFFFAOYSA-N 1 1 346.398 0.197 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(S(=O)(=O)NC)oc1C ZINC000490877861 439308151 /nfs/dbraw/zinc/30/81/51/439308151.db2.gz ZGLCVKDJOMVHHQ-GFCCVEGCSA-N 1 1 340.401 0.751 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490915019 439311343 /nfs/dbraw/zinc/31/13/43/439311343.db2.gz KSQKQAAFCCGNKV-MJBXVCDLSA-N 1 1 327.450 0.301 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000491267446 439360184 /nfs/dbraw/zinc/36/01/84/439360184.db2.gz TZBWELTZKVXKAP-HUUCEWRRSA-N 1 1 333.432 0.623 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000491350835 439369310 /nfs/dbraw/zinc/36/93/10/439369310.db2.gz QMJWEZIRRKVIHN-UHFFFAOYSA-N 1 1 341.415 0.754 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000491350835 439369314 /nfs/dbraw/zinc/36/93/14/439369314.db2.gz QMJWEZIRRKVIHN-UHFFFAOYSA-N 1 1 341.415 0.754 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000491350835 439369318 /nfs/dbraw/zinc/36/93/18/439369318.db2.gz QMJWEZIRRKVIHN-UHFFFAOYSA-N 1 1 341.415 0.754 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000491393479 439375562 /nfs/dbraw/zinc/37/55/62/439375562.db2.gz HSRBXRLEZNRZDV-CQSZACIVSA-N 1 1 346.435 0.170 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000491383877 439373326 /nfs/dbraw/zinc/37/33/26/439373326.db2.gz MTWGJTLEBVWXLQ-CQSZACIVSA-N 1 1 332.448 0.642 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1nnn(Cc2ccncc2)c1C ZINC000491415563 439379085 /nfs/dbraw/zinc/37/90/85/439379085.db2.gz HNYDEFRHJRDPIO-UHFFFAOYSA-N 1 1 326.404 0.715 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000491516182 439396966 /nfs/dbraw/zinc/39/69/66/439396966.db2.gz RNLJBHMOYNDDLQ-ZIAGYGMSSA-N 1 1 344.481 0.101 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000491473582 439388605 /nfs/dbraw/zinc/38/86/05/439388605.db2.gz FPNLZXOQUQWAJP-UHFFFAOYSA-N 1 1 337.512 0.657 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000593577586 439413189 /nfs/dbraw/zinc/41/31/89/439413189.db2.gz MHWGZIUMEBBBAR-INIZCTEOSA-N 1 1 337.445 0.833 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000491645608 439420189 /nfs/dbraw/zinc/42/01/89/439420189.db2.gz PHSRIMCNBKPLOX-GOSISDBHSA-N 1 1 329.444 0.299 20 30 ECEDMO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599292948 439420880 /nfs/dbraw/zinc/42/08/80/439420880.db2.gz LNNYYXYCDPWXCO-KGLIPLIRSA-N 1 1 332.466 0.813 20 30 ECEDMO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599292948 439420885 /nfs/dbraw/zinc/42/08/85/439420885.db2.gz LNNYYXYCDPWXCO-KGLIPLIRSA-N 1 1 332.466 0.813 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599329868 439434484 /nfs/dbraw/zinc/43/44/84/439434484.db2.gz FUOFYQOCOBEILE-UONOGXRCSA-N 1 1 345.465 0.071 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)/C=C\c1ccc(OCC(N)=O)cc1 ZINC000491735400 439436656 /nfs/dbraw/zinc/43/66/56/439436656.db2.gz QACPZCVPYNUZOF-YFHOEESVSA-N 1 1 329.400 0.635 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@H](OCC)[C@@H]1n1cccn1 ZINC000491749503 439441933 /nfs/dbraw/zinc/44/19/33/439441933.db2.gz GKHRARTYTWKXDL-OWCLPIDISA-N 1 1 333.436 0.856 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OCCOC)cc1 ZINC000491768984 439446146 /nfs/dbraw/zinc/44/61/46/439446146.db2.gz LVCSUPKDHMMLEX-UHFFFAOYSA-N 1 1 340.445 0.945 20 30 ECEDMO CCC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@@H]1CC(=O)N(C)C1=O ZINC000599402377 439457436 /nfs/dbraw/zinc/45/74/36/439457436.db2.gz PAPBSFWLNNQFLD-LSDHHAIUSA-N 1 1 345.399 0.767 20 30 ECEDMO CCC[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H]1CC(=O)N(C)C1=O ZINC000599402376 439458643 /nfs/dbraw/zinc/45/86/43/439458643.db2.gz PAPBSFWLNNQFLD-HUUCEWRRSA-N 1 1 345.399 0.767 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000571709692 439525259 /nfs/dbraw/zinc/52/52/59/439525259.db2.gz KWXPYKWCYUXPKG-ZDUSSCGKSA-N 1 1 327.344 0.123 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000571709692 439525263 /nfs/dbraw/zinc/52/52/63/439525263.db2.gz KWXPYKWCYUXPKG-ZDUSSCGKSA-N 1 1 327.344 0.123 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)ncc1C#N ZINC000594298146 439538084 /nfs/dbraw/zinc/53/80/84/439538084.db2.gz JRUPACYCVXPXLW-UHFFFAOYSA-N 1 1 345.403 0.115 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)ncc1C#N ZINC000594298146 439538089 /nfs/dbraw/zinc/53/80/89/439538089.db2.gz JRUPACYCVXPXLW-UHFFFAOYSA-N 1 1 345.403 0.115 20 30 ECEDMO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000599590963 439512890 /nfs/dbraw/zinc/51/28/90/439512890.db2.gz PCQFDHSZOYDGAR-OLZOCXBDSA-N 1 1 339.392 0.175 20 30 ECEDMO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000599590963 439512897 /nfs/dbraw/zinc/51/28/97/439512897.db2.gz PCQFDHSZOYDGAR-OLZOCXBDSA-N 1 1 339.392 0.175 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC[N@H+]3CCOC[C@@H]3C)CC2)c1C#N ZINC000532296198 439516761 /nfs/dbraw/zinc/51/67/61/439516761.db2.gz MGVJCKQWPCSROX-AWEZNQCLSA-N 1 1 332.452 0.443 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC[N@@H+]3CCOC[C@@H]3C)CC2)c1C#N ZINC000532296198 439516763 /nfs/dbraw/zinc/51/67/63/439516763.db2.gz MGVJCKQWPCSROX-AWEZNQCLSA-N 1 1 332.452 0.443 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](CCN3CCOC[C@@H]3C)CC2)c1C#N ZINC000532296198 439516769 /nfs/dbraw/zinc/51/67/69/439516769.db2.gz MGVJCKQWPCSROX-AWEZNQCLSA-N 1 1 332.452 0.443 20 30 ECEDMO N#Cc1cccc(NC(=O)NCCCCN2CC[NH+](CCO)CC2)n1 ZINC000572958955 439618911 /nfs/dbraw/zinc/61/89/11/439618911.db2.gz UKDJXWDVKWILQB-UHFFFAOYSA-N 1 1 346.435 0.465 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(c3ccc(C#N)c(N)n3)CC2)CC1 ZINC000584242032 439568640 /nfs/dbraw/zinc/56/86/40/439568640.db2.gz FCYXUZGQRPCONB-UHFFFAOYSA-N 1 1 342.447 0.916 20 30 ECEDMO CCC[C@H](C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000609516932 439572964 /nfs/dbraw/zinc/57/29/64/439572964.db2.gz UCROIDKIRUKEIS-HUUCEWRRSA-N 1 1 336.436 0.508 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)n(CCC#N)n1 ZINC000600036080 439600389 /nfs/dbraw/zinc/60/03/89/439600389.db2.gz QPUKHNOJAUUYOJ-AWEZNQCLSA-N 1 1 346.435 0.892 20 30 ECEDMO N#CCN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000610397019 439613356 /nfs/dbraw/zinc/61/33/56/439613356.db2.gz JPAFVFKNXAEXQX-QGZVFWFLSA-N 1 1 327.432 0.961 20 30 ECEDMO N#CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000610788266 439647429 /nfs/dbraw/zinc/64/74/29/439647429.db2.gz TVKZIQXVLKUADF-DLBZAZTESA-N 1 1 349.479 0.917 20 30 ECEDMO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3cnccc3C#N)CC2)C1 ZINC000573635044 439657707 /nfs/dbraw/zinc/65/77/07/439657707.db2.gz FWRNWAAJBQNLBD-AWEZNQCLSA-N 1 1 349.460 0.357 20 30 ECEDMO N#Cc1cccc(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000610521867 439623338 /nfs/dbraw/zinc/62/33/38/439623338.db2.gz VLJCPBHNUNUGON-GOSISDBHSA-N 1 1 342.443 0.623 20 30 ECEDMO CC(C)[C@H](CNC(=O)Nc1nn(C)cc1C#N)N1CC[NH+](C)CC1 ZINC000610562969 439626156 /nfs/dbraw/zinc/62/61/56/439626156.db2.gz MTWUCOINZTZJHQ-AWEZNQCLSA-N 1 1 333.440 0.685 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595384980 439719128 /nfs/dbraw/zinc/71/91/28/439719128.db2.gz QQAFGOSVUGOYNV-HNNXBMFYSA-N 1 1 335.429 0.778 20 30 ECEDMO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600535526 439674927 /nfs/dbraw/zinc/67/49/27/439674927.db2.gz PCPGBGKBQSQGRT-WBMJQRKESA-N 1 1 325.409 0.431 20 30 ECEDMO C[NH+]1CCN(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000613133636 439750698 /nfs/dbraw/zinc/75/06/98/439750698.db2.gz JUCQIRVNSAVZRL-UHFFFAOYSA-N 1 1 325.376 0.325 20 30 ECEDMO C=CCCSCCNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000595449752 439727732 /nfs/dbraw/zinc/72/77/32/439727732.db2.gz QERVMTHQNOARGT-UHFFFAOYSA-N 1 1 328.482 0.805 20 30 ECEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(c3nc(N)n[nH]3)CC2)c1 ZINC000595487441 439734137 /nfs/dbraw/zinc/73/41/37/439734137.db2.gz JCAKCYLQHYEDMT-UHFFFAOYSA-N 1 1 325.376 1.077 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CC[C@@](F)(C#N)C1)N1CC[NH+](C)CC1 ZINC000615578197 439802805 /nfs/dbraw/zinc/80/28/05/439802805.db2.gz ZMXQTKVGHSJLFP-GDBMZVCRSA-N 1 1 325.432 0.906 20 30 ECEDMO CN1CC[NH+](CCCCNS(=O)(=O)c2cccnc2C#N)CC1 ZINC000617465434 439889198 /nfs/dbraw/zinc/88/91/98/439889198.db2.gz NMORUMIPPFWFQN-UHFFFAOYSA-N 1 1 337.449 0.259 20 30 ECEDMO N#CCCn1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c(-c2ccncc2)n1 ZINC000619071048 440205947 /nfs/dbraw/zinc/20/59/47/440205947.db2.gz BPMNYMXZEHTXDV-IYBDPMFKSA-N 1 1 327.388 0.786 20 30 ECEDMO C=CCN(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[C@H](C)COC ZINC000637374868 440248991 /nfs/dbraw/zinc/24/89/91/440248991.db2.gz KTQJNGLTZROFEQ-KGLIPLIRSA-N 1 1 326.441 0.559 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1=O ZINC000654309634 440296572 /nfs/dbraw/zinc/29/65/72/440296572.db2.gz CAMIPBJVMXRGGG-QWHCGFSZSA-N 1 1 348.403 0.096 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)c2ccnc(S(C)(=O)=O)n2)CC1 ZINC000654747833 440392006 /nfs/dbraw/zinc/39/20/06/440392006.db2.gz NSNYLZJVYRCLBF-UHFFFAOYSA-N 1 1 338.433 0.650 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000644299452 440511607 /nfs/dbraw/zinc/51/16/07/440511607.db2.gz LRUNIBVSRWMFIA-GDBMZVCRSA-N 1 1 349.456 0.927 20 30 ECEDMO C=CCOCCNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000655784037 440623928 /nfs/dbraw/zinc/62/39/28/440623928.db2.gz ZLHYDRDEHNBQBT-QGZVFWFLSA-N 1 1 333.432 0.907 20 30 ECEDMO C=CC[C@@H]1CC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639889510 440824466 /nfs/dbraw/zinc/82/44/66/440824466.db2.gz FYVDPPOPTBNFLD-CYBMUJFWSA-N 1 1 329.466 0.425 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)n1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000640919788 441026110 /nfs/dbraw/zinc/02/61/10/441026110.db2.gz GKQOACUBQRUSNR-HOCLYGCPSA-N 1 1 333.436 0.996 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)n1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000640919788 441026114 /nfs/dbraw/zinc/02/61/14/441026114.db2.gz GKQOACUBQRUSNR-HOCLYGCPSA-N 1 1 333.436 0.996 20 30 ECEDMO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000563808950 322345487 /nfs/dbraw/zinc/34/54/87/322345487.db2.gz ZRUJFAFNVCGYDL-HUUCEWRRSA-N 1 1 341.371 0.686 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)ncc1C#N ZINC000563896980 322352069 /nfs/dbraw/zinc/35/20/69/322352069.db2.gz QNCUELZJAFAPJX-UHFFFAOYSA-N 1 1 333.417 0.365 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC001041741435 782097302 /nfs/dbraw/zinc/09/73/02/782097302.db2.gz OAFSDWXRVZCRTR-GOSISDBHSA-N 1 1 346.431 0.427 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001078013017 782136836 /nfs/dbraw/zinc/13/68/36/782136836.db2.gz NLXMHAOGTAHMAQ-MDZRGWNJSA-N 1 1 328.412 0.911 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001078013017 782136839 /nfs/dbraw/zinc/13/68/39/782136839.db2.gz NLXMHAOGTAHMAQ-MDZRGWNJSA-N 1 1 328.412 0.911 20 30 ECEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1COCCO1 ZINC000329128575 546014533 /nfs/dbraw/zinc/01/45/33/546014533.db2.gz VMAFXCNJBDEYCA-OAHLLOKOSA-N 1 1 328.457 0.274 20 30 ECEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1COCCO1 ZINC000329128575 546014538 /nfs/dbraw/zinc/01/45/38/546014538.db2.gz VMAFXCNJBDEYCA-OAHLLOKOSA-N 1 1 328.457 0.274 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)NCCC(=O)N2CCN(C)CC2)CC[N@H+]1C ZINC000329790967 546034235 /nfs/dbraw/zinc/03/42/35/546034235.db2.gz DDVBZJWSUYZPCD-KGLIPLIRSA-N 1 1 325.457 0.137 20 30 ECEDMO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000330338989 546044263 /nfs/dbraw/zinc/04/42/63/546044263.db2.gz WDEZVMWOUPKONG-NUEKZKHPSA-N 1 1 333.436 0.844 20 30 ECEDMO C[C@H](C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)n1cnc(C#N)n1 ZINC000619599854 546345724 /nfs/dbraw/zinc/34/57/24/546345724.db2.gz HKZNJXHNHUAEAP-QWHCGFSZSA-N 1 1 332.408 0.422 20 30 ECEDMO C[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C1([NH+]2CCOCC2)CCCC1 ZINC000619613724 546347891 /nfs/dbraw/zinc/34/78/91/546347891.db2.gz SSCKVOYXKOAQAJ-UONOGXRCSA-N 1 1 346.435 0.860 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000619710078 546359702 /nfs/dbraw/zinc/35/97/02/546359702.db2.gz BLEMZISMVYXCEJ-OAHLLOKOSA-N 1 1 343.497 0.179 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626169242 547307711 /nfs/dbraw/zinc/30/77/11/547307711.db2.gz IPIKSGCXFSRBDH-GJZGRUSLSA-N 1 1 343.493 0.837 20 30 ECEDMO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668966951 547801064 /nfs/dbraw/zinc/80/10/64/547801064.db2.gz NQGZCYBDFBCIML-HOCLYGCPSA-N 1 1 337.464 0.905 20 30 ECEDMO C=CCn1c(-c2ncccn2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000669053915 547820583 /nfs/dbraw/zinc/82/05/83/547820583.db2.gz PGCHPCBWPTVNOM-AWEZNQCLSA-N 1 1 341.419 0.832 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000683040199 549457061 /nfs/dbraw/zinc/45/70/61/549457061.db2.gz UBXIPOOVKOZCND-UHFFFAOYSA-N 1 1 329.360 0.867 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCn1cccc1 ZINC001078032737 782180734 /nfs/dbraw/zinc/18/07/34/782180734.db2.gz CSMHKBJBKNROGR-IRXDYDNUSA-N 1 1 344.459 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCn1cccc1 ZINC001078032737 782180738 /nfs/dbraw/zinc/18/07/38/782180738.db2.gz CSMHKBJBKNROGR-IRXDYDNUSA-N 1 1 344.459 0.987 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC001041777114 782181386 /nfs/dbraw/zinc/18/13/86/782181386.db2.gz HWVKNZKUXUWQFI-MAUKXSAKSA-N 1 1 343.431 0.801 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000748809712 579329017 /nfs/dbraw/zinc/32/90/17/579329017.db2.gz HNMAGTQEXMXITG-UHFFFAOYSA-N 1 1 345.443 0.913 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000748809712 579329018 /nfs/dbraw/zinc/32/90/18/579329018.db2.gz HNMAGTQEXMXITG-UHFFFAOYSA-N 1 1 345.443 0.913 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)CC1 ZINC000749654573 579340421 /nfs/dbraw/zinc/34/04/21/579340421.db2.gz OPQCYRZNTTVOEJ-UHFFFAOYSA-N 1 1 327.388 0.763 20 30 ECEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752307048 579383058 /nfs/dbraw/zinc/38/30/58/579383058.db2.gz AQDOOLQUNBOYQI-MJBXVCDLSA-N 1 1 338.367 0.651 20 30 ECEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752307048 579383059 /nfs/dbraw/zinc/38/30/59/579383059.db2.gz AQDOOLQUNBOYQI-MJBXVCDLSA-N 1 1 338.367 0.651 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)NCCNC(=O)C2N=CC=CC2=O)C[N@H+]1C1CC1 ZINC000753932492 579409404 /nfs/dbraw/zinc/40/94/04/579409404.db2.gz RTWVRVGZAFTDFN-MRMLTLRBSA-N 1 1 347.419 0.437 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000754195182 579414363 /nfs/dbraw/zinc/41/43/63/579414363.db2.gz KZDZPNYEUNGXKV-AWEZNQCLSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000754195182 579414365 /nfs/dbraw/zinc/41/43/65/579414365.db2.gz KZDZPNYEUNGXKV-AWEZNQCLSA-N 1 1 349.456 0.764 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cnc2ncccn12 ZINC000755520236 579434612 /nfs/dbraw/zinc/43/46/12/579434612.db2.gz APFGTSGVJJQWKN-UHFFFAOYSA-N 1 1 347.448 0.250 20 30 ECEDMO C#CCNC(=S)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000758232776 579469312 /nfs/dbraw/zinc/46/93/12/579469312.db2.gz CZGMCXFCBCUUGE-UHFFFAOYSA-N 1 1 336.505 0.760 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCNC(=O)C2)c(OC)c1 ZINC000726790525 578147573 /nfs/dbraw/zinc/14/75/73/578147573.db2.gz WQMKJDVQIZXKKV-HNNXBMFYSA-N 1 1 334.416 0.985 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCNC(=O)C2)c(OC)c1 ZINC000726790525 578147574 /nfs/dbraw/zinc/14/75/74/578147574.db2.gz WQMKJDVQIZXKKV-HNNXBMFYSA-N 1 1 334.416 0.985 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)nc1 ZINC000728964398 578292058 /nfs/dbraw/zinc/29/20/58/578292058.db2.gz LWNMEZKKNPRHLE-INIZCTEOSA-N 1 1 326.400 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000730274138 578304215 /nfs/dbraw/zinc/30/42/15/578304215.db2.gz LEOJWGDDRDKKRG-INIZCTEOSA-N 1 1 328.416 0.632 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000730274138 578304216 /nfs/dbraw/zinc/30/42/16/578304216.db2.gz LEOJWGDDRDKKRG-INIZCTEOSA-N 1 1 328.416 0.632 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000730275816 578304329 /nfs/dbraw/zinc/30/43/29/578304329.db2.gz ZIXSHSQRKIBLMX-INIZCTEOSA-N 1 1 326.400 0.464 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000730275816 578304330 /nfs/dbraw/zinc/30/43/30/578304330.db2.gz ZIXSHSQRKIBLMX-INIZCTEOSA-N 1 1 326.400 0.464 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NS(=O)(=O)CCC)CC1 ZINC000730275865 578304400 /nfs/dbraw/zinc/30/44/00/578304400.db2.gz AVSGMAGYJMTNTC-HNNXBMFYSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NS(=O)(=O)CCC)CC1 ZINC000730275865 578304401 /nfs/dbraw/zinc/30/44/01/578304401.db2.gz AVSGMAGYJMTNTC-HNNXBMFYSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000730278785 578304512 /nfs/dbraw/zinc/30/45/12/578304512.db2.gz VUUQJZZHXGPSOU-KRWDZBQOSA-N 1 1 343.427 0.867 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000730278785 578304514 /nfs/dbraw/zinc/30/45/14/578304514.db2.gz VUUQJZZHXGPSOU-KRWDZBQOSA-N 1 1 343.427 0.867 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(C=C)CC2)c1=O ZINC000732180887 578320669 /nfs/dbraw/zinc/32/06/69/578320669.db2.gz GZOVAEPFPXVWHU-UHFFFAOYSA-N 1 1 332.404 0.399 20 30 ECEDMO CC[N@@H+](CCNC(=O)NCCNC(=O)C1N=CC=CC1=O)C(C)C ZINC000732458558 578325739 /nfs/dbraw/zinc/32/57/39/578325739.db2.gz JRHCWBIBANDADM-CCEZHUSRSA-N 1 1 337.424 0.542 20 30 ECEDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000732465407 578325971 /nfs/dbraw/zinc/32/59/71/578325971.db2.gz MVIPLOZPDQTALG-ZGTROFRASA-N 1 1 349.435 0.544 20 30 ECEDMO CCOCCC[N@H+]1CCC(=NNC(=S)NCC(=O)NC)[C@H](C)C1 ZINC000735229547 578380585 /nfs/dbraw/zinc/38/05/85/578380585.db2.gz INJCRCSUUJWDLW-GFCCVEGCSA-N 1 1 343.497 0.321 20 30 ECEDMO CN(C)c1ccc2c(c1)NC(=O)C2=NNCCC[NH+]1CCOCC1 ZINC000799489603 578666169 /nfs/dbraw/zinc/66/61/69/578666169.db2.gz XHFDLYSMFPHRQR-UHFFFAOYSA-N 1 1 331.420 0.721 20 30 ECEDMO C=CCn1nnn(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1=S ZINC000780512931 578695491 /nfs/dbraw/zinc/69/54/91/578695491.db2.gz YCZMLEYTPWPNHR-LBPRGKRZSA-N 1 1 326.470 0.730 20 30 ECEDMO C[NH+](C)CCN1CCC(CNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780939479 578703214 /nfs/dbraw/zinc/70/32/14/578703214.db2.gz JNSJOUBHWZBSQC-GOSISDBHSA-N 1 1 344.459 0.981 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000780943910 578703419 /nfs/dbraw/zinc/70/34/19/578703419.db2.gz OLFHOIMGMVSICU-QZTJIDSGSA-N 1 1 342.443 0.830 20 30 ECEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 ZINC000782459262 578725644 /nfs/dbraw/zinc/72/56/44/578725644.db2.gz TZWNWOGTEQUYRP-UHFFFAOYSA-N 1 1 346.435 0.924 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000783005172 578737245 /nfs/dbraw/zinc/73/72/45/578737245.db2.gz GLKGKNFYXFYHRQ-ZDUSSCGKSA-N 1 1 335.495 0.324 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788002580 578825258 /nfs/dbraw/zinc/82/52/58/578825258.db2.gz FGODPAYPUNEANR-CYBMUJFWSA-N 1 1 339.436 0.476 20 30 ECEDMO C#CCOCCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792322574 578905475 /nfs/dbraw/zinc/90/54/75/578905475.db2.gz WEHUIMSORBQWRT-UHFFFAOYSA-N 1 1 339.436 0.695 20 30 ECEDMO NS(=O)(=O)c1ccc(N=NC2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000793089936 578921529 /nfs/dbraw/zinc/92/15/29/578921529.db2.gz BIRNZMGGVQDXRA-UHFFFAOYSA-N 1 1 339.377 0.736 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC000765934055 579076272 /nfs/dbraw/zinc/07/62/72/579076272.db2.gz XOZWCVXIXSHENR-DCFQSUQFSA-N 1 1 334.420 0.844 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC000766247627 579083587 /nfs/dbraw/zinc/08/35/87/579083587.db2.gz MWYUMTIJVHPROJ-SAFUZZNQSA-N 1 1 349.435 0.637 20 30 ECEDMO Cc1[nH+]ccn1CCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000771856384 579197009 /nfs/dbraw/zinc/19/70/09/579197009.db2.gz SGAHGBBTUQNHTE-UHFFFAOYSA-N 1 1 348.384 0.585 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000773323758 579224817 /nfs/dbraw/zinc/22/48/17/579224817.db2.gz YHUGXAZVLMSDTG-INIZCTEOSA-N 1 1 328.416 0.632 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000773323758 579224818 /nfs/dbraw/zinc/22/48/18/579224818.db2.gz YHUGXAZVLMSDTG-INIZCTEOSA-N 1 1 328.416 0.632 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)CC1 ZINC000773697341 579232354 /nfs/dbraw/zinc/23/23/54/579232354.db2.gz VMIJCBBUDZXOAA-QZTJIDSGSA-N 1 1 333.476 0.902 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[C@H]1CCCO1 ZINC000773791992 579233972 /nfs/dbraw/zinc/23/39/72/579233972.db2.gz PBVJSYQHFQRLJL-HZPDHXFCSA-N 1 1 327.384 0.868 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[C@H]1CCCO1 ZINC000773791992 579233974 /nfs/dbraw/zinc/23/39/74/579233974.db2.gz PBVJSYQHFQRLJL-HZPDHXFCSA-N 1 1 327.384 0.868 20 30 ECEDMO Cc1nnc(CN2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)[nH]1 ZINC000775986311 579273768 /nfs/dbraw/zinc/27/37/68/579273768.db2.gz BUGNASPRVIRAJZ-MRXNPFEDSA-N 1 1 326.404 0.836 20 30 ECEDMO CN1CCC[C@@H](O[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000778593742 579309957 /nfs/dbraw/zinc/30/99/57/579309957.db2.gz BADCIEWSOLOYOK-MRXNPFEDSA-N 1 1 346.431 0.905 20 30 ECEDMO N#CCn1cc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)cn1 ZINC000746414980 579838610 /nfs/dbraw/zinc/83/86/10/579838610.db2.gz ORLIOAHXCVGIAY-UHFFFAOYSA-N 1 1 344.419 0.822 20 30 ECEDMO C[C@@H]1CN(C(=O)NCCNc2ncccc2C#N)C[C@H](C)[N@@H+]1CCO ZINC000837858786 588963299 /nfs/dbraw/zinc/96/32/99/588963299.db2.gz AFJUYDHDMWYITD-OKILXGFUSA-N 1 1 346.435 0.462 20 30 ECEDMO C#CC[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837944048 588966530 /nfs/dbraw/zinc/96/65/30/588966530.db2.gz ZNEIQELRASPPLL-IAGOWNOFSA-N 1 1 344.411 0.959 20 30 ECEDMO C#CC[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837944048 588966532 /nfs/dbraw/zinc/96/65/32/588966532.db2.gz ZNEIQELRASPPLL-IAGOWNOFSA-N 1 1 344.411 0.959 20 30 ECEDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000841457793 588988596 /nfs/dbraw/zinc/98/85/96/588988596.db2.gz WGOOGGNNXGIXOB-UONOGXRCSA-N 1 1 330.384 0.680 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000841457793 588988597 /nfs/dbraw/zinc/98/85/97/588988597.db2.gz WGOOGGNNXGIXOB-UONOGXRCSA-N 1 1 330.384 0.680 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)nn1 ZINC000895445712 586183380 /nfs/dbraw/zinc/18/33/80/586183380.db2.gz KUSWYWDDPSPAIF-HUUCEWRRSA-N 1 1 334.424 0.205 20 30 ECEDMO C[C@@]1(C#N)CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000895846058 586208681 /nfs/dbraw/zinc/20/86/81/586208681.db2.gz XHJKHLNBUARYQY-BFYDXBDKSA-N 1 1 348.447 0.954 20 30 ECEDMO C#CC1(O)CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000892125114 586223191 /nfs/dbraw/zinc/22/31/91/586223191.db2.gz KOQGOMGTNOSTQF-UHFFFAOYSA-N 1 1 329.400 0.408 20 30 ECEDMO C[NH+](C)Cc1cnc(CN2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)s1 ZINC000897063201 586284078 /nfs/dbraw/zinc/28/40/78/586284078.db2.gz MJTSVZOJXJFIRS-RISCZKNCSA-N 1 1 340.474 0.575 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1nc(C#N)cs1 ZINC000897282214 586293876 /nfs/dbraw/zinc/29/38/76/586293876.db2.gz FMNOFVQARKXQHC-GFCCVEGCSA-N 1 1 336.465 0.840 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1nc[nH]c1Br ZINC000867311420 589042058 /nfs/dbraw/zinc/04/20/58/589042058.db2.gz OHCQZLYHGNVHOP-UHFFFAOYSA-N 1 1 335.227 0.406 20 30 ECEDMO C[C@@H](CNC(=O)NCc1nc(C#N)cs1)CN1CC[NH+](C)CC1 ZINC000893238721 586318727 /nfs/dbraw/zinc/31/87/27/586318727.db2.gz VVEGKAQMYBYRIT-LBPRGKRZSA-N 1 1 336.465 0.697 20 30 ECEDMO Cc1c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cnn1CCC#N ZINC000897663664 586356598 /nfs/dbraw/zinc/35/65/98/586356598.db2.gz MRMXNJHHGMUHBS-UHFFFAOYSA-N 1 1 332.452 0.861 20 30 ECEDMO COc1ccc(CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1C#N ZINC000893777510 586357007 /nfs/dbraw/zinc/35/70/07/586357007.db2.gz HLMDXOFRYGEWSP-UHFFFAOYSA-N 1 1 345.447 0.956 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000900029439 586519801 /nfs/dbraw/zinc/51/98/01/586519801.db2.gz YKRWXPSCBHKZNB-AOIWGVFYSA-N 1 1 342.443 0.851 20 30 ECEDMO C#C[C@H](NC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1)[C@@H]1CCCO1 ZINC000838557420 586814063 /nfs/dbraw/zinc/81/40/63/586814063.db2.gz BEWANJZVJYGPDO-HOTGVXAUSA-N 1 1 336.480 0.883 20 30 ECEDMO C=CCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C(C)C ZINC000839248456 586843390 /nfs/dbraw/zinc/84/33/90/586843390.db2.gz ZKPMXAUZJQJCEV-CQSZACIVSA-N 1 1 325.453 0.713 20 30 ECEDMO C=CCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C(C)C ZINC000839248456 586843392 /nfs/dbraw/zinc/84/33/92/586843392.db2.gz ZKPMXAUZJQJCEV-CQSZACIVSA-N 1 1 325.453 0.713 20 30 ECEDMO C=CCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(C)C ZINC000839246247 586843622 /nfs/dbraw/zinc/84/36/22/586843622.db2.gz HARVBWVSUZPJSU-MRXNPFEDSA-N 1 1 336.480 0.648 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000839528033 586862197 /nfs/dbraw/zinc/86/21/97/586862197.db2.gz MVHNSCRYEMLQHO-UHFFFAOYSA-N 1 1 338.477 0.936 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H]2CC(C(=O)OC)=C(C)O2)CC1 ZINC000778209666 586922365 /nfs/dbraw/zinc/92/23/65/586922365.db2.gz DJTVLUXSKYSGNE-CQSZACIVSA-N 1 1 337.420 0.142 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCCO[C@H](C)C#N)CC1=O ZINC000801861503 587004574 /nfs/dbraw/zinc/00/45/74/587004574.db2.gz IISAKNOYUYROSX-RBSFLKMASA-N 1 1 337.420 0.791 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)nc1 ZINC000907023714 587007218 /nfs/dbraw/zinc/00/72/18/587007218.db2.gz AAXPTFBGORQTQU-CQSZACIVSA-N 1 1 336.417 0.296 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCCO1 ZINC000803563700 587063351 /nfs/dbraw/zinc/06/33/51/587063351.db2.gz BKXTWACRQKSZSC-PMPSAXMXSA-N 1 1 335.448 0.520 20 30 ECEDMO NS(=O)(=O)c1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)ccc1F ZINC000807979777 587141099 /nfs/dbraw/zinc/14/10/99/587141099.db2.gz XSJXDUBANYDFAU-RYUDHWBXSA-N 1 1 339.396 0.667 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1cc(C#N)ccc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000809441036 587177695 /nfs/dbraw/zinc/17/76/95/587177695.db2.gz OQUREZWOKSJBTL-ABAIWWIYSA-N 1 1 348.378 0.149 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1cc(C#N)ccc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000809441036 587177697 /nfs/dbraw/zinc/17/76/97/587177697.db2.gz OQUREZWOKSJBTL-ABAIWWIYSA-N 1 1 348.378 0.149 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cc1C#N ZINC000809501206 587178750 /nfs/dbraw/zinc/17/87/50/587178750.db2.gz DDHMEMLOCOREHT-UHFFFAOYSA-N 1 1 344.415 0.736 20 30 ECEDMO CC1(C)OCC(CO)([NH2+]CC(=O)NCc2cccc(C#N)c2)CO1 ZINC000812838382 587243592 /nfs/dbraw/zinc/24/35/92/587243592.db2.gz PBSMXPQQRADSEN-UHFFFAOYSA-N 1 1 333.388 0.278 20 30 ECEDMO C=C[C@H](O)C(=O)OCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000814541227 587276546 /nfs/dbraw/zinc/27/65/46/587276546.db2.gz LXTULBRXAYHVQM-HOCLYGCPSA-N 1 1 332.400 0.982 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)CC2(C#N)CC2)C1 ZINC000815412689 587290078 /nfs/dbraw/zinc/29/00/78/587290078.db2.gz NAGMJAIKJAVQGV-AWEZNQCLSA-N 1 1 337.420 0.696 20 30 ECEDMO N#Cc1ccsc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000815507229 587292230 /nfs/dbraw/zinc/29/22/30/587292230.db2.gz ZRYZVPBHEQTYEU-NWDGAFQWSA-N 1 1 334.401 0.538 20 30 ECEDMO C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)[C@@H]2C1 ZINC000815703499 587296327 /nfs/dbraw/zinc/29/63/27/587296327.db2.gz HCJWWEFBZAHZCL-IUODEOHRSA-N 1 1 328.372 0.690 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[C@@H](OC)C2 ZINC000815860461 587300579 /nfs/dbraw/zinc/30/05/79/587300579.db2.gz MHUMTWKDVZLXID-KRWDZBQOSA-N 1 1 343.427 0.810 20 30 ECEDMO N#Cc1ccc(O[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)nc1 ZINC000816836866 587325906 /nfs/dbraw/zinc/32/59/06/587325906.db2.gz CQPSTWGVFADKNP-HNNXBMFYSA-N 1 1 330.388 0.655 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000817844435 587388781 /nfs/dbraw/zinc/38/87/81/587388781.db2.gz UPVFQRBJQASXCK-UHFFFAOYSA-N 1 1 343.427 0.199 20 30 ECEDMO C#C[C@@H]1COCCN1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000823083292 587701251 /nfs/dbraw/zinc/70/12/51/587701251.db2.gz IEGUQBKDKNKVRT-BZUAXINKSA-N 1 1 333.432 0.673 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823844613 587745456 /nfs/dbraw/zinc/74/54/56/587745456.db2.gz DAZADYJJTIZFNC-OAHLLOKOSA-N 1 1 339.403 0.034 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823844697 587745540 /nfs/dbraw/zinc/74/55/40/587745540.db2.gz GYQJKWMEANPQMJ-HNNXBMFYSA-N 1 1 340.387 0.068 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)C1 ZINC000829582041 588330970 /nfs/dbraw/zinc/33/09/70/588330970.db2.gz IJXJZDDWHORNNS-CABCVRRESA-N 1 1 343.431 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)C1 ZINC000829582041 588330971 /nfs/dbraw/zinc/33/09/71/588330971.db2.gz IJXJZDDWHORNNS-CABCVRRESA-N 1 1 343.431 0.377 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366140 589109505 /nfs/dbraw/zinc/10/95/05/589109505.db2.gz HJBBGPRKBXYGNZ-XHDPSFHLSA-N 1 1 330.388 0.900 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366140 589109506 /nfs/dbraw/zinc/10/95/06/589109506.db2.gz HJBBGPRKBXYGNZ-XHDPSFHLSA-N 1 1 330.388 0.900 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365049 589109571 /nfs/dbraw/zinc/10/95/71/589109571.db2.gz JCNSIFZPAYDBCG-SWLSCSKDSA-N 1 1 348.403 0.384 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365049 589109572 /nfs/dbraw/zinc/10/95/72/589109572.db2.gz JCNSIFZPAYDBCG-SWLSCSKDSA-N 1 1 348.403 0.384 20 30 ECEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000847025006 589233196 /nfs/dbraw/zinc/23/31/96/589233196.db2.gz AYPQWDGXHNYLQL-MRXNPFEDSA-N 1 1 348.491 0.391 20 30 ECEDMO N#CCn1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000847609000 589258784 /nfs/dbraw/zinc/25/87/84/589258784.db2.gz ZMNQXBFTUPHBBY-UONOGXRCSA-N 1 1 330.392 0.478 20 30 ECEDMO COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C[C@@H]1C ZINC000850683346 589379138 /nfs/dbraw/zinc/37/91/38/589379138.db2.gz SIBXVTKVYABYID-JKIFEVAISA-N 1 1 336.436 0.316 20 30 ECEDMO COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C[C@@H]1C ZINC000850683346 589379140 /nfs/dbraw/zinc/37/91/40/589379140.db2.gz SIBXVTKVYABYID-JKIFEVAISA-N 1 1 336.436 0.316 20 30 ECEDMO C#CCOCC[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000851748633 589419810 /nfs/dbraw/zinc/41/98/10/589419810.db2.gz PBTNNRXEPMEAIW-UHFFFAOYSA-N 1 1 337.445 0.367 20 30 ECEDMO C#CCOCC[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000852111750 589443887 /nfs/dbraw/zinc/44/38/87/589443887.db2.gz FMNAXHHDPJUYBT-UHFFFAOYSA-N 1 1 325.434 0.352 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](CO)Cc2ccccc2)CC1 ZINC000852289629 589454273 /nfs/dbraw/zinc/45/42/73/589454273.db2.gz XPJIAPOTZLXERI-SFHVURJKSA-N 1 1 329.444 0.299 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@H](CO)Cc2ccccc2)CC1 ZINC000852289629 589454275 /nfs/dbraw/zinc/45/42/75/589454275.db2.gz XPJIAPOTZLXERI-SFHVURJKSA-N 1 1 329.444 0.299 20 30 ECEDMO Cc1cc(NCc2cnnn2C)c(C#N)c(NCc2cnnn2C)[nH+]1 ZINC000853629185 589552845 /nfs/dbraw/zinc/55/28/45/589552845.db2.gz HFJPOPIKTRKJPB-UHFFFAOYSA-N 1 1 338.379 0.743 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000853713408 589556387 /nfs/dbraw/zinc/55/63/87/589556387.db2.gz QNTGAESASGVDBV-XROPSADXSA-N 1 1 349.435 0.685 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000854094600 589570875 /nfs/dbraw/zinc/57/08/75/589570875.db2.gz XJMGZBLTRMVHGQ-IAGOWNOFSA-N 1 1 348.491 0.884 20 30 ECEDMO C#CCN(CC(=O)NCCC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC000854140687 589572695 /nfs/dbraw/zinc/57/26/95/589572695.db2.gz OGYYOIKSIHREIN-UHFFFAOYSA-N 1 1 339.436 0.695 20 30 ECEDMO C#C[C@@](C)(CC)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000854697891 589600378 /nfs/dbraw/zinc/60/03/78/589600378.db2.gz NCGHWSAZVDABNF-YJBOKZPZSA-N 1 1 335.448 0.618 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](CCC(=O)N3CCNCC3)CC2)cc1 ZINC000866704335 589760013 /nfs/dbraw/zinc/76/00/13/589760013.db2.gz SWQPCLREVSXEPB-UHFFFAOYSA-N 1 1 327.432 0.502 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCS(=O)(=O)CC1CC1 ZINC000867927949 589863748 /nfs/dbraw/zinc/86/37/48/589863748.db2.gz SGCKDDNVVGGBIN-INIZCTEOSA-N 1 1 347.440 0.686 20 30 ECEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000862205895 589932428 /nfs/dbraw/zinc/93/24/28/589932428.db2.gz XUPBELJZOXHNRJ-OLZOCXBDSA-N 1 1 346.387 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000863497731 590018077 /nfs/dbraw/zinc/01/80/77/590018077.db2.gz DJDSLZAFSDEZPG-ROUUACIJSA-N 1 1 342.443 0.496 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000863497731 590018081 /nfs/dbraw/zinc/01/80/81/590018081.db2.gz DJDSLZAFSDEZPG-ROUUACIJSA-N 1 1 342.443 0.496 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCNC(=O)CC23CCOCC3)cc1 ZINC000872286563 590110854 /nfs/dbraw/zinc/11/08/54/590110854.db2.gz KYANPJPHQQPKSU-MRXNPFEDSA-N 1 1 329.400 0.963 20 30 ECEDMO N#CCc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000865904484 590161910 /nfs/dbraw/zinc/16/19/10/590161910.db2.gz NHLCWQVMLUTJHQ-OAHLLOKOSA-N 1 1 348.472 0.950 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ncc1C#N ZINC000874173307 590224157 /nfs/dbraw/zinc/22/41/57/590224157.db2.gz FNIWQNJDYZMXFH-OCCSQVGLSA-N 1 1 327.388 0.753 20 30 ECEDMO COCC[N@H+]1CCCN(C(=O)C(=NOC)c2csc(N)n2)CC1 ZINC000874188816 590226278 /nfs/dbraw/zinc/22/62/78/590226278.db2.gz BYTHYFNWHDXMLQ-UHFFFAOYSA-N 1 1 341.437 0.257 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000875120586 590272648 /nfs/dbraw/zinc/27/26/48/590272648.db2.gz WOAQZZTXZKZEPM-KRWDZBQOSA-N 1 1 345.443 0.909 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000875306887 590291530 /nfs/dbraw/zinc/29/15/30/590291530.db2.gz GQKHKLCMUQOWIT-ZACQAIPSSA-N 1 1 343.427 0.703 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000875600689 590313543 /nfs/dbraw/zinc/31/35/43/590313543.db2.gz SXDNDHZLWMIQQM-BZUAXINKSA-N 1 1 337.464 0.768 20 30 ECEDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143019 590371366 /nfs/dbraw/zinc/37/13/66/590371366.db2.gz XJXSKXHIXFAJDL-LSDHHAIUSA-N 1 1 334.445 0.895 20 30 ECEDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143019 590371369 /nfs/dbraw/zinc/37/13/69/590371369.db2.gz XJXSKXHIXFAJDL-LSDHHAIUSA-N 1 1 334.445 0.895 20 30 ECEDMO C#CCCCCCC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000876569969 590387366 /nfs/dbraw/zinc/38/73/66/590387366.db2.gz NLQXKLGNQLCCTO-UHFFFAOYSA-N 1 1 343.493 0.765 20 30 ECEDMO COCCN(CC(=O)N(C)C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876601604 590390494 /nfs/dbraw/zinc/39/04/94/590390494.db2.gz WJYLSVCAARTWKH-QGZVFWFLSA-N 1 1 344.415 0.308 20 30 ECEDMO COC(=O)[C@@]1(O)CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880566416 590406224 /nfs/dbraw/zinc/40/62/24/590406224.db2.gz JOPXTUGVLAWZQY-CRAIPNDOSA-N 1 1 343.383 0.663 20 30 ECEDMO COC(=O)[C@@]1(O)CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880566416 590406227 /nfs/dbraw/zinc/40/62/27/590406227.db2.gz JOPXTUGVLAWZQY-CRAIPNDOSA-N 1 1 343.383 0.663 20 30 ECEDMO COc1ccc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1C#N ZINC000880875562 590425874 /nfs/dbraw/zinc/42/58/74/590425874.db2.gz WBRJOUIJAWDBFE-UHFFFAOYSA-N 1 1 345.403 0.852 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CS1(=O)=O ZINC000876966588 590430315 /nfs/dbraw/zinc/43/03/15/590430315.db2.gz WUYVITHYHPAPCL-WPGHFRTFSA-N 1 1 347.440 0.827 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000888884946 590458353 /nfs/dbraw/zinc/45/83/53/590458353.db2.gz GBQCMBWFWHMKKX-SJORKVTESA-N 1 1 336.480 0.884 20 30 ECEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000877487674 590468119 /nfs/dbraw/zinc/46/81/19/590468119.db2.gz CKFOPJQCXRDFHN-QGZVFWFLSA-N 1 1 327.388 0.798 20 30 ECEDMO C[NH+]1CCN(C(=O)CNc2cc(C#N)c(Br)cn2)CC1 ZINC000881913245 590490875 /nfs/dbraw/zinc/49/08/75/590490875.db2.gz NIAREGMZVPSCFH-UHFFFAOYSA-N 1 1 338.209 0.902 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000878315016 590514879 /nfs/dbraw/zinc/51/48/79/590514879.db2.gz DCCDIJANDKENCD-CYBMUJFWSA-N 1 1 335.420 0.897 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000127318303 590539142 /nfs/dbraw/zinc/53/91/42/590539142.db2.gz OPOYNORONQTBFB-UHFFFAOYSA-N 1 1 335.448 0.429 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC([C@H](F)C(N)=O)CC2)c1 ZINC000879048605 590560343 /nfs/dbraw/zinc/56/03/43/590560343.db2.gz XAVRRALXOVIOSZ-INIZCTEOSA-N 1 1 332.379 0.710 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879232060 590572749 /nfs/dbraw/zinc/57/27/49/590572749.db2.gz KVCIYTFICACODN-UHFFFAOYSA-N 1 1 328.416 0.835 20 30 ECEDMO COc1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)N(C)CCC#N)c1 ZINC000883477621 590620684 /nfs/dbraw/zinc/62/06/84/590620684.db2.gz IYYMMKMTRJIBHQ-OAHLLOKOSA-N 1 1 338.433 0.732 20 30 ECEDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000883896606 590679630 /nfs/dbraw/zinc/67/96/30/590679630.db2.gz SJANPRZBONQHHF-ZIAGYGMSSA-N 1 1 343.435 0.663 20 30 ECEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000885456660 590725093 /nfs/dbraw/zinc/72/50/93/590725093.db2.gz CHOUILRPUQRCSY-RDBSUJKOSA-N 1 1 328.438 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C(=O)NCc2ccco2)C1 ZINC000884111984 590743377 /nfs/dbraw/zinc/74/33/77/590743377.db2.gz YMWFCOCWWKOBKP-KGLIPLIRSA-N 1 1 332.404 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C(=O)NCc2ccco2)C1 ZINC000884111984 590743378 /nfs/dbraw/zinc/74/33/78/590743378.db2.gz YMWFCOCWWKOBKP-KGLIPLIRSA-N 1 1 332.404 0.681 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000884255921 590789809 /nfs/dbraw/zinc/78/98/09/590789809.db2.gz PRFTTZABALAXCF-ZNMIVQPWSA-N 1 1 336.436 0.019 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000884255921 590789811 /nfs/dbraw/zinc/78/98/11/590789811.db2.gz PRFTTZABALAXCF-ZNMIVQPWSA-N 1 1 336.436 0.019 20 30 ECEDMO N#C[C@]12CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@@H]1CS(=O)(=O)C2 ZINC000886211962 590816006 /nfs/dbraw/zinc/81/60/06/590816006.db2.gz DGHIALIKMOBGHZ-HLPPOEQASA-N 1 1 337.445 0.400 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](CO)c2ccccc2C)CC1 ZINC000886433998 590843463 /nfs/dbraw/zinc/84/34/63/590843463.db2.gz ZJTVGFMOJFKABW-GOSISDBHSA-N 1 1 329.444 0.738 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@H](CO)c2ccccc2C)CC1 ZINC000886433998 590843464 /nfs/dbraw/zinc/84/34/64/590843464.db2.gz ZJTVGFMOJFKABW-GOSISDBHSA-N 1 1 329.444 0.738 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ncccn3)C2)CC1 ZINC000886680387 590869962 /nfs/dbraw/zinc/86/99/62/590869962.db2.gz CQGVBIHBWXAJLD-MRXNPFEDSA-N 1 1 327.432 0.433 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ncccn3)C2)CC1 ZINC000886680387 590869968 /nfs/dbraw/zinc/86/99/68/590869968.db2.gz CQGVBIHBWXAJLD-MRXNPFEDSA-N 1 1 327.432 0.433 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(C#N)cn2)CC1 ZINC000889229923 591045731 /nfs/dbraw/zinc/04/57/31/591045731.db2.gz LCIMZSPSELHVJY-CQSZACIVSA-N 1 1 342.403 0.724 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nnc(-c3ccncc3)[n-]2)C1 ZINC000889247682 591046102 /nfs/dbraw/zinc/04/61/02/591046102.db2.gz SJJHVCBGWQVZRM-CQSZACIVSA-N 1 1 339.403 0.764 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(CC#N)n2)C[N@H+]1C1CC1 ZINC000890002037 591117911 /nfs/dbraw/zinc/11/79/11/591117911.db2.gz AQIKIVJXKKCYFU-AAEUAGOBSA-N 1 1 327.388 0.828 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000890011631 591118974 /nfs/dbraw/zinc/11/89/74/591118974.db2.gz ZJACERSRWDEQGK-RISCZKNCSA-N 1 1 327.388 0.685 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@]2(O)C[C@@H](OCC)C2(C)C)C1 ZINC000890367813 591153674 /nfs/dbraw/zinc/15/36/74/591153674.db2.gz UTNGSYNCALFDLD-DAYGRLMNSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@]2(O)C[C@@H](OCC)C2(C)C)C1 ZINC000890367813 591153676 /nfs/dbraw/zinc/15/36/76/591153676.db2.gz UTNGSYNCALFDLD-DAYGRLMNSA-N 1 1 337.464 0.949 20 30 ECEDMO C[N@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cccc(CC#N)n2)C1 ZINC000890402087 591156706 /nfs/dbraw/zinc/15/67/06/591156706.db2.gz OVZPVHWEFAEHEB-CYBMUJFWSA-N 1 1 329.404 0.934 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)CC[C@@H]3C2)C1=O ZINC000946586338 611355327 /nfs/dbraw/zinc/35/53/27/611355327.db2.gz CYJQUEKUSWKPBI-IXDOHACOSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](OC)C2CC2)CC1 ZINC000946602169 611360720 /nfs/dbraw/zinc/36/07/20/611360720.db2.gz PJUVWXDTNDKOKT-DLBZAZTESA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](OC)C2CC2)CC1 ZINC000946602169 611360721 /nfs/dbraw/zinc/36/07/21/611360721.db2.gz PJUVWXDTNDKOKT-DLBZAZTESA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890143690 611364252 /nfs/dbraw/zinc/36/42/52/611364252.db2.gz XLCBCDHTQPFIDL-JKSUJKDBSA-N 1 1 337.468 0.584 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)CC[C@@H]2C1 ZINC000946628455 611373906 /nfs/dbraw/zinc/37/39/06/611373906.db2.gz RDSGFIMRZWUSJE-GASCZTMLSA-N 1 1 328.416 0.588 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC000947998761 611375640 /nfs/dbraw/zinc/37/56/40/611375640.db2.gz OQPJZZYDWZBUKP-CHWSQXEVSA-N 1 1 336.436 0.862 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2OC)C1 ZINC000946635286 611378989 /nfs/dbraw/zinc/37/89/89/611378989.db2.gz KNPCEHRFKZKKGK-HUUCEWRRSA-N 1 1 346.431 0.890 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737696667 598538324 /nfs/dbraw/zinc/53/83/24/598538324.db2.gz ULCLPROHBUUUSM-UHFFFAOYSA-N 1 1 340.391 0.019 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737696667 598538325 /nfs/dbraw/zinc/53/83/25/598538325.db2.gz ULCLPROHBUUUSM-UHFFFAOYSA-N 1 1 340.391 0.019 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946649210 611388114 /nfs/dbraw/zinc/38/81/14/611388114.db2.gz QAQMCYDFRZSQMF-GASCZTMLSA-N 1 1 326.462 0.778 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3CC)CC[C@@H]2C1 ZINC000946654070 611391210 /nfs/dbraw/zinc/39/12/10/611391210.db2.gz VSJLWULFRWGGLS-FGTMMUONSA-N 1 1 333.476 0.901 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@@H]2C1 ZINC000946664285 611400748 /nfs/dbraw/zinc/40/07/48/611400748.db2.gz ORTLKXJWLZOVRO-GASCZTMLSA-N 1 1 346.431 0.695 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946664520 611401205 /nfs/dbraw/zinc/40/12/05/611401205.db2.gz WQGPKQMTMYUEGX-HRCADAONSA-N 1 1 338.473 0.615 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946667638 611403710 /nfs/dbraw/zinc/40/37/10/611403710.db2.gz DQTIMNXKPIPMCF-OWCLPIDISA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(CC(=O)NC)[C@@H](C)C2)CC1 ZINC000948071572 611408662 /nfs/dbraw/zinc/40/86/62/611408662.db2.gz ZANAMXTUCOPMAH-GOEBONIOSA-N 1 1 334.464 0.047 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)CC[C@@H]2C1 ZINC000946688643 611414384 /nfs/dbraw/zinc/41/43/84/611414384.db2.gz XIUPLNSRLKTFTJ-GASCZTMLSA-N 1 1 328.416 0.588 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2c(OC)ncnc2N(C)C)C1 ZINC000930414700 611421873 /nfs/dbraw/zinc/42/18/73/611421873.db2.gz NWLVEFYSOZQHJZ-LBPRGKRZSA-N 1 1 332.408 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2c(OC)ncnc2N(C)C)C1 ZINC000930414700 611421874 /nfs/dbraw/zinc/42/18/74/611421874.db2.gz NWLVEFYSOZQHJZ-LBPRGKRZSA-N 1 1 332.408 0.770 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000930768815 611462693 /nfs/dbraw/zinc/46/26/93/611462693.db2.gz KAKIYBDZTBMJCP-LSDHHAIUSA-N 1 1 337.464 0.932 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000946793385 611481165 /nfs/dbraw/zinc/48/11/65/611481165.db2.gz AWGUDPREVDGZOB-BMFZPTHFSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000930897211 611481406 /nfs/dbraw/zinc/48/14/06/611481406.db2.gz NSAHQUMHBXXTSW-JYJNAYRXSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000930897211 611481409 /nfs/dbraw/zinc/48/14/09/611481409.db2.gz NSAHQUMHBXXTSW-JYJNAYRXSA-N 1 1 337.464 0.882 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000946796533 611485654 /nfs/dbraw/zinc/48/56/54/611485654.db2.gz LDLGHMQOIFGHPI-RDJZCZTQSA-N 1 1 346.475 0.143 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000948282801 611501140 /nfs/dbraw/zinc/50/11/40/611501140.db2.gz RLVHYKLXZDDMMN-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000931095270 611506679 /nfs/dbraw/zinc/50/66/79/611506679.db2.gz YQRQOPMQYGRPAT-AWEZNQCLSA-N 1 1 332.404 0.463 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000931147082 611511030 /nfs/dbraw/zinc/51/10/30/611511030.db2.gz RCWXERDEDLIJKR-UHFFFAOYSA-N 1 1 338.411 0.949 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000931595970 611552276 /nfs/dbraw/zinc/55/22/76/611552276.db2.gz PACOVKGCCCKLNG-UHFFFAOYSA-N 1 1 332.379 0.868 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)C[C@@H]1C ZINC000947491994 611562858 /nfs/dbraw/zinc/56/28/58/611562858.db2.gz DKUFDWLANDKYHL-GOEBONIOSA-N 1 1 331.416 0.711 20 30 ECEDMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000931888718 611582771 /nfs/dbraw/zinc/58/27/71/611582771.db2.gz QSCINLFWKWHLJY-INIZCTEOSA-N 1 1 341.415 0.027 20 30 ECEDMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000931888718 611582772 /nfs/dbraw/zinc/58/27/72/611582772.db2.gz QSCINLFWKWHLJY-INIZCTEOSA-N 1 1 341.415 0.027 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000948419083 611585050 /nfs/dbraw/zinc/58/50/50/611585050.db2.gz WRAQYKSYBPECQC-IUODEOHRSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[C@H]1NC(=O)N(Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1=O ZINC000927594606 611617208 /nfs/dbraw/zinc/61/72/08/611617208.db2.gz MHEUVCGRSNGEGT-JKSUJKDBSA-N 1 1 327.384 0.697 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 ZINC000949247573 608596889 /nfs/dbraw/zinc/59/68/89/608596889.db2.gz ADOVLGGIUSLZNN-AWEZNQCLSA-N 1 1 342.461 0.443 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937349742 608609439 /nfs/dbraw/zinc/60/94/39/608609439.db2.gz KPMYWLDSOPFBEB-IAGOWNOFSA-N 1 1 347.459 0.568 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937349742 608609442 /nfs/dbraw/zinc/60/94/42/608609442.db2.gz KPMYWLDSOPFBEB-IAGOWNOFSA-N 1 1 347.459 0.568 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000949338717 608644241 /nfs/dbraw/zinc/64/42/41/608644241.db2.gz QSQUSUAFVAWTTG-UHFFFAOYSA-N 1 1 337.464 0.588 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 ZINC000949386132 608664832 /nfs/dbraw/zinc/66/48/32/608664832.db2.gz UIUYVUZQIPGGTH-OAHLLOKOSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC000949427154 608675366 /nfs/dbraw/zinc/67/53/66/608675366.db2.gz HIPJYRPJSNEVOO-QGZVFWFLSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000948562058 611655326 /nfs/dbraw/zinc/65/53/26/611655326.db2.gz QCAGHFJANRJHCB-HUUCEWRRSA-N 1 1 345.447 0.882 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3ccc(OC)nn32)C[C@H]1C ZINC000947457595 608748706 /nfs/dbraw/zinc/74/87/06/608748706.db2.gz BKPQFJHPIVHEFF-OLZOCXBDSA-N 1 1 327.388 0.954 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC000947463620 608762676 /nfs/dbraw/zinc/76/26/76/608762676.db2.gz KDHRGLFKGRJGSM-HZPDHXFCSA-N 1 1 336.480 0.696 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000934252579 608803916 /nfs/dbraw/zinc/80/39/16/608803916.db2.gz PFHYRQMYSDJOLW-BHIYHBOVSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000934252579 608803921 /nfs/dbraw/zinc/80/39/21/608803921.db2.gz PFHYRQMYSDJOLW-BHIYHBOVSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000934252579 608803924 /nfs/dbraw/zinc/80/39/24/608803924.db2.gz PFHYRQMYSDJOLW-BHIYHBOVSA-N 1 1 345.443 0.829 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccccn2)CC1 ZINC000947230472 608821824 /nfs/dbraw/zinc/82/18/24/608821824.db2.gz SKBHKJYISJJAHE-KRWDZBQOSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccccn2)CC1 ZINC000947230472 608821828 /nfs/dbraw/zinc/82/18/28/608821828.db2.gz SKBHKJYISJJAHE-KRWDZBQOSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000948590890 611663489 /nfs/dbraw/zinc/66/34/89/611663489.db2.gz OKBPSDHGHONCPK-CQSZACIVSA-N 1 1 332.404 0.285 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000936911792 608885750 /nfs/dbraw/zinc/88/57/50/608885750.db2.gz MWZASQVCVSCIEN-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C ZINC000947567784 608899249 /nfs/dbraw/zinc/89/92/49/608899249.db2.gz HVVGNLNNDYBYMC-OLZOCXBDSA-N 1 1 327.392 0.826 20 30 ECEDMO O=C(NCC#CCO)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000923776277 608922953 /nfs/dbraw/zinc/92/29/53/608922953.db2.gz QEKUPTVUDYSFRY-DLBZAZTESA-N 1 1 331.416 0.164 20 30 ECEDMO C[C@H]1CN(C(=O)NCC#CCO)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000923780227 608936206 /nfs/dbraw/zinc/93/62/06/608936206.db2.gz JFNWQEIDTAQDOM-DOTOQJQBSA-N 1 1 331.416 0.431 20 30 ECEDMO C[C@H]1CN(C(=O)NCC#CCO)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000923780227 608936208 /nfs/dbraw/zinc/93/62/08/608936208.db2.gz JFNWQEIDTAQDOM-DOTOQJQBSA-N 1 1 331.416 0.431 20 30 ECEDMO Cc1nc(C[NH+]2CCC(CNC(=O)NCC#CCO)CC2)oc1C ZINC000923781303 608940334 /nfs/dbraw/zinc/94/03/34/608940334.db2.gz SNXWFTMSOVDFGC-UHFFFAOYSA-N 1 1 334.420 0.798 20 30 ECEDMO O=C(NCC#CCO)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000923784958 608943947 /nfs/dbraw/zinc/94/39/47/608943947.db2.gz NAKREKLIBINTOB-UHFFFAOYSA-N 1 1 337.342 0.278 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000947309113 608945074 /nfs/dbraw/zinc/94/50/74/608945074.db2.gz CGPSIYWWHRAARK-NWDGAFQWSA-N 1 1 345.432 0.776 20 30 ECEDMO O=C(NCC#CCO)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000923785891 608947443 /nfs/dbraw/zinc/94/74/43/608947443.db2.gz MSPUDNVHHFTDCY-UHFFFAOYSA-N 1 1 334.395 0.243 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000936712188 609001440 /nfs/dbraw/zinc/00/14/40/609001440.db2.gz KFXDXLYGSDQMJY-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000936712188 609001441 /nfs/dbraw/zinc/00/14/41/609001441.db2.gz KFXDXLYGSDQMJY-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000936712188 609001445 /nfs/dbraw/zinc/00/14/45/609001445.db2.gz KFXDXLYGSDQMJY-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000936712188 609001447 /nfs/dbraw/zinc/00/14/47/609001447.db2.gz KFXDXLYGSDQMJY-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000936712188 609001450 /nfs/dbraw/zinc/00/14/50/609001450.db2.gz KFXDXLYGSDQMJY-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC000948652543 611677526 /nfs/dbraw/zinc/67/75/26/611677526.db2.gz VWGUSMDFWJYGDR-FGTMMUONSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CCOC2)C1 ZINC000936082329 609069114 /nfs/dbraw/zinc/06/91/14/609069114.db2.gz XCQWZHCDOUMASK-ZBFHGGJFSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CCOC2)C1 ZINC000936082329 609069117 /nfs/dbraw/zinc/06/91/17/609069117.db2.gz XCQWZHCDOUMASK-ZBFHGGJFSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccncc2F)C1 ZINC000937773966 609081685 /nfs/dbraw/zinc/08/16/85/609081685.db2.gz AMEGYAIDFZQLRS-BBRMVZONSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccncc2F)C1 ZINC000937773966 609081689 /nfs/dbraw/zinc/08/16/89/609081689.db2.gz AMEGYAIDFZQLRS-BBRMVZONSA-N 1 1 344.390 0.649 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937843281 609110805 /nfs/dbraw/zinc/11/08/05/609110805.db2.gz VOHITRGEDVVXOC-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000937979093 609432828 /nfs/dbraw/zinc/43/28/28/609432828.db2.gz QSOGIGURZFGQPQ-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000937970906 609442267 /nfs/dbraw/zinc/44/22/67/609442267.db2.gz NDCFNYYHSAMGFY-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cncs2)C1 ZINC000938170026 609481334 /nfs/dbraw/zinc/48/13/34/609481334.db2.gz BHOSWFJMGJZPFM-ZFWWWQNUSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cncs2)C1 ZINC000938170026 609481336 /nfs/dbraw/zinc/48/13/36/609481336.db2.gz BHOSWFJMGJZPFM-ZFWWWQNUSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1 ZINC000938170084 609481364 /nfs/dbraw/zinc/48/13/64/609481364.db2.gz DHSCNEMKQKSFCV-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1 ZINC000938170084 609481365 /nfs/dbraw/zinc/48/13/65/609481365.db2.gz DHSCNEMKQKSFCV-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 ZINC000938170292 609481927 /nfs/dbraw/zinc/48/19/27/609481927.db2.gz GCGJWDMFTIITEJ-HRCADAONSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 ZINC000938170292 609481930 /nfs/dbraw/zinc/48/19/30/609481930.db2.gz GCGJWDMFTIITEJ-HRCADAONSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(CC)n[nH]2)C1 ZINC000938172334 609484888 /nfs/dbraw/zinc/48/48/88/609484888.db2.gz UYDBRXMDBFJNAK-HOCLYGCPSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(CC)n[nH]2)C1 ZINC000938172334 609484890 /nfs/dbraw/zinc/48/48/90/609484890.db2.gz UYDBRXMDBFJNAK-HOCLYGCPSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC000938173566 609486363 /nfs/dbraw/zinc/48/63/63/609486363.db2.gz UUYXHDYOWNVTGR-AVGNSLFASA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC000938173566 609486364 /nfs/dbraw/zinc/48/63/64/609486364.db2.gz UUYXHDYOWNVTGR-AVGNSLFASA-N 1 1 345.365 1.000 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938226712 609551881 /nfs/dbraw/zinc/55/18/81/609551881.db2.gz VWRGMLXSCVLLBS-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)nc1 ZINC000908010861 609636212 /nfs/dbraw/zinc/63/62/12/609636212.db2.gz DCZFLPJHYJBXPT-KGLIPLIRSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)nc1 ZINC000908010861 609636214 /nfs/dbraw/zinc/63/62/14/609636214.db2.gz DCZFLPJHYJBXPT-KGLIPLIRSA-N 1 1 336.417 0.173 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000908014326 609637233 /nfs/dbraw/zinc/63/72/33/609637233.db2.gz HXPPNPQJTRNUFX-DLBZAZTESA-N 1 1 349.456 0.972 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000908014326 609637234 /nfs/dbraw/zinc/63/72/34/609637234.db2.gz HXPPNPQJTRNUFX-DLBZAZTESA-N 1 1 349.456 0.972 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(C#CCO)c3)[C@H]2C1 ZINC000908416644 609653429 /nfs/dbraw/zinc/65/34/29/609653429.db2.gz ALSZGFYDDNOVLS-ZWKOTPCHSA-N 1 1 328.412 0.966 20 30 ECEDMO C=CCn1c(-c2cccnn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000908701810 609658668 /nfs/dbraw/zinc/65/86/68/609658668.db2.gz HJEMUJTZSKIPOJ-CYBMUJFWSA-N 1 1 327.392 0.442 20 30 ECEDMO C=CCn1c(-c2cccnn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000908701810 609658669 /nfs/dbraw/zinc/65/86/69/609658669.db2.gz HJEMUJTZSKIPOJ-CYBMUJFWSA-N 1 1 327.392 0.442 20 30 ECEDMO C=C(C)Cn1c(-c2cccnn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000909302123 609692865 /nfs/dbraw/zinc/69/28/65/609692865.db2.gz RZWZAGFYQPYEHO-CQSZACIVSA-N 1 1 341.419 0.832 20 30 ECEDMO C=C(C)Cn1c(-c2cccnn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000909302123 609692866 /nfs/dbraw/zinc/69/28/66/609692866.db2.gz RZWZAGFYQPYEHO-CQSZACIVSA-N 1 1 341.419 0.832 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2c(CC)nn(C)c2CC)CC1 ZINC000921438059 609716715 /nfs/dbraw/zinc/71/67/15/609716715.db2.gz PBKLPJZAMKUPAZ-UHFFFAOYSA-N 1 1 338.477 0.921 20 30 ECEDMO Cn1c(CO[NH+]=C(N)CCCc2ccccc2)cc(=O)n(C)c1=O ZINC000057858398 609721437 /nfs/dbraw/zinc/72/14/37/609721437.db2.gz PUSPTFPTYARAOK-UHFFFAOYSA-N 1 1 330.388 0.896 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1C ZINC000948071448 609721701 /nfs/dbraw/zinc/72/17/01/609721701.db2.gz YCJYVVJTRPTBNE-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)Nc2n[nH]c3cc(C)n(C)c(=O)c32)CC1 ZINC000910643707 609742083 /nfs/dbraw/zinc/74/20/83/609742083.db2.gz FOIBUJIJUSRWCT-UHFFFAOYSA-N 1 1 327.388 0.854 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc1 ZINC000938373667 609759888 /nfs/dbraw/zinc/75/98/88/609759888.db2.gz OGXNAKGKLSTYBR-HOCLYGCPSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C[C@H]1C ZINC000948031574 609775660 /nfs/dbraw/zinc/77/56/60/609775660.db2.gz MORWZZKYMBFUQX-HUUCEWRRSA-N 1 1 343.493 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c(C)cnn2C)C1 ZINC000938463361 609796331 /nfs/dbraw/zinc/79/63/31/609796331.db2.gz APLSAGLAUFMSQN-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c(C)cnn2C)C1 ZINC000938463361 609796333 /nfs/dbraw/zinc/79/63/33/609796333.db2.gz APLSAGLAUFMSQN-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO Cc1ccc(C(=O)/C=C/C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000913684502 609811034 /nfs/dbraw/zinc/81/10/34/609811034.db2.gz XZGVIJVZEDURIS-CMDGGOBGSA-N 1 1 343.427 0.966 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000913988225 609840746 /nfs/dbraw/zinc/84/07/46/609840746.db2.gz HGHJHPDEDGZOQW-IYBDPMFKSA-N 1 1 336.480 0.883 20 30 ECEDMO C#CC[NH2+]CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1NCC ZINC000911989493 609926404 /nfs/dbraw/zinc/92/64/04/609926404.db2.gz CIAPMTHHHIXBNF-UHFFFAOYSA-N 1 1 338.433 0.530 20 30 ECEDMO C[C@@H](CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[N@@H+](C)C1CC1 ZINC000916858369 609951721 /nfs/dbraw/zinc/95/17/21/609951721.db2.gz QSRUXAFDOYVFFK-YWPYICTPSA-N 1 1 340.449 0.049 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccsn2)C1 ZINC000938743209 609968505 /nfs/dbraw/zinc/96/85/05/609968505.db2.gz QTSLEFDGWDWAET-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccsn2)C1 ZINC000938743209 609968507 /nfs/dbraw/zinc/96/85/07/609968507.db2.gz QTSLEFDGWDWAET-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000917632888 609980218 /nfs/dbraw/zinc/98/02/18/609980218.db2.gz DRNSOOIAPHOAAH-LSDHHAIUSA-N 1 1 331.420 0.746 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000917838640 609985659 /nfs/dbraw/zinc/98/56/59/609985659.db2.gz XAMFVCMXFLOVIN-HRCADAONSA-N 1 1 337.468 0.725 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000938881200 610011438 /nfs/dbraw/zinc/01/14/38/610011438.db2.gz XOHFBWWEXBBZPS-XHSDSOJGSA-N 1 1 346.431 0.842 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000938999771 610065419 /nfs/dbraw/zinc/06/54/19/610065419.db2.gz XRNYMAQMGSNHHU-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000938999771 610065420 /nfs/dbraw/zinc/06/54/20/610065420.db2.gz XRNYMAQMGSNHHU-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=COCCC2)C1 ZINC000939689860 610085794 /nfs/dbraw/zinc/08/57/94/610085794.db2.gz KSIKXLYKOGSQHW-CVEARBPZSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=COCCC2)C1 ZINC000939689860 610085796 /nfs/dbraw/zinc/08/57/96/610085796.db2.gz KSIKXLYKOGSQHW-CVEARBPZSA-N 1 1 331.416 0.495 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000939120785 610086370 /nfs/dbraw/zinc/08/63/70/610086370.db2.gz PPXXWWJXYMVPND-WQVCFCJDSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC000939958475 610177667 /nfs/dbraw/zinc/17/76/67/610177667.db2.gz JAADSNRVXYSTPL-KGLIPLIRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC000939958475 610177669 /nfs/dbraw/zinc/17/76/69/610177669.db2.gz JAADSNRVXYSTPL-KGLIPLIRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC000940050077 610196271 /nfs/dbraw/zinc/19/62/71/610196271.db2.gz OJQWWFJTGKLQAG-ZACQAIPSSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC000940050077 610196272 /nfs/dbraw/zinc/19/62/72/610196272.db2.gz OJQWWFJTGKLQAG-ZACQAIPSSA-N 1 1 342.443 0.864 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1)C1CCC1 ZINC000940094402 610206749 /nfs/dbraw/zinc/20/67/49/610206749.db2.gz FXRBXXDBBWXYJR-CYBMUJFWSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000939497845 610217028 /nfs/dbraw/zinc/21/70/28/610217028.db2.gz BFUJVVKUCMHRIF-ZWNOBZJWSA-N 1 1 330.417 0.917 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cc(C)no2)CC1 ZINC000940235565 610250964 /nfs/dbraw/zinc/25/09/64/610250964.db2.gz YFZPVPWCZACJOP-HNNXBMFYSA-N 1 1 344.415 0.755 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cc(C)no2)CC1 ZINC000940235565 610250965 /nfs/dbraw/zinc/25/09/65/610250965.db2.gz YFZPVPWCZACJOP-HNNXBMFYSA-N 1 1 344.415 0.755 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cscn2)CC1 ZINC000940487484 610290955 /nfs/dbraw/zinc/29/09/55/610290955.db2.gz QRBDHEANBZFIJJ-HNNXBMFYSA-N 1 1 346.456 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cscn2)CC1 ZINC000940487484 610290956 /nfs/dbraw/zinc/29/09/56/610290956.db2.gz QRBDHEANBZFIJJ-HNNXBMFYSA-N 1 1 346.456 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC000940577576 610303925 /nfs/dbraw/zinc/30/39/25/610303925.db2.gz JQFNBGGPSXXVHO-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC000940577576 610303926 /nfs/dbraw/zinc/30/39/26/610303926.db2.gz JQFNBGGPSXXVHO-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC000941444464 610309280 /nfs/dbraw/zinc/30/92/80/610309280.db2.gz NRGLVXHPPFSKKB-HZPDHXFCSA-N 1 1 329.448 0.918 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnc(C)nc3OC)CC2)C1 ZINC000941430951 610312165 /nfs/dbraw/zinc/31/21/65/610312165.db2.gz GGJCWBGGPSBSGR-UHFFFAOYSA-N 1 1 345.447 0.812 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnn4ccncc34)CC2)C1 ZINC000941437947 610315471 /nfs/dbraw/zinc/31/54/71/610315471.db2.gz HICMDPRIRJUWNT-UHFFFAOYSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cncc(COC)c3)CC2)C1 ZINC000941440521 610316400 /nfs/dbraw/zinc/31/64/00/610316400.db2.gz LMJVFORTMQXIFU-UHFFFAOYSA-N 1 1 342.443 0.693 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456017 610318433 /nfs/dbraw/zinc/31/84/33/610318433.db2.gz KJGMHIIUUOKPEP-HKUYNNGSSA-N 1 1 344.503 0.855 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456801 610319003 /nfs/dbraw/zinc/31/90/03/610319003.db2.gz TZNIMLYLQYXSMY-HKUYNNGSSA-N 1 1 344.503 0.855 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC000941454808 610327377 /nfs/dbraw/zinc/32/73/77/610327377.db2.gz JVAUWXZZOHCGJS-GOSISDBHSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C ZINC000947895061 610329160 /nfs/dbraw/zinc/32/91/60/610329160.db2.gz GSOIGUZRVINORW-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4nccn4C3)CC2)C1 ZINC000941465302 610334106 /nfs/dbraw/zinc/33/41/06/610334106.db2.gz OTVSNTMNVDLXNN-HNNXBMFYSA-N 1 1 329.448 0.460 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N[C@@H](CC)C3)CC2)C1 ZINC000941499114 610343933 /nfs/dbraw/zinc/34/39/33/610343933.db2.gz NKZBZADHPNSSIK-HOTGVXAUSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N[C@@H](CC)C3)CC2)C1 ZINC000941499323 610344208 /nfs/dbraw/zinc/34/42/08/610344208.db2.gz SIKKAKSRMIZMEY-CABCVRRESA-N 1 1 334.464 0.306 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](OC)[C@@H]3CCOC3)CC2)C1 ZINC000941501352 610345299 /nfs/dbraw/zinc/34/52/99/610345299.db2.gz APPRXTCNCITBFT-NVXWUHKLSA-N 1 1 337.464 0.442 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@H](C)n3ccc(C)n3)CC2)C1 ZINC000941513691 610352745 /nfs/dbraw/zinc/35/27/45/610352745.db2.gz NUDDRATVCAAVQV-KRWDZBQOSA-N 1 1 343.475 0.994 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000940753671 610357237 /nfs/dbraw/zinc/35/72/37/610357237.db2.gz PJIJMGBPBNJCMF-CYBMUJFWSA-N 1 1 348.451 0.560 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 ZINC000940807321 610372398 /nfs/dbraw/zinc/37/23/98/610372398.db2.gz LMHNPEKZOHPMEX-WDEREUQCSA-N 1 1 342.827 0.554 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 ZINC000940807321 610372400 /nfs/dbraw/zinc/37/24/00/610372400.db2.gz LMHNPEKZOHPMEX-WDEREUQCSA-N 1 1 342.827 0.554 20 30 ECEDMO C=CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC000941601795 610402056 /nfs/dbraw/zinc/40/20/56/610402056.db2.gz YUCQKMNUKNGQRV-OAHLLOKOSA-N 1 1 331.464 0.993 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000942370218 610419029 /nfs/dbraw/zinc/41/90/29/610419029.db2.gz IUDUPXTUZXYXAK-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)N3CCCC3=O)CC2)C1 ZINC000941636098 610421843 /nfs/dbraw/zinc/42/18/43/610421843.db2.gz ALZKGAXWSOQPPC-HNNXBMFYSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c4c(nn3C)CCC4)CC2)C1 ZINC000941636622 610422244 /nfs/dbraw/zinc/42/22/44/610422244.db2.gz PSARQKIWPJGKSZ-UHFFFAOYSA-N 1 1 329.448 0.537 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3coc(COC)n3)CC2)C1 ZINC000941621367 610426262 /nfs/dbraw/zinc/42/62/62/610426262.db2.gz ZIJVNZOGOMNHJG-UHFFFAOYSA-N 1 1 332.404 0.286 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cn(CC4CC4)nn3)CC2)C1 ZINC000941622566 610426741 /nfs/dbraw/zinc/42/67/41/610426741.db2.gz JMZVKPKKORZYHS-UHFFFAOYSA-N 1 1 344.463 0.706 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000940912873 610430445 /nfs/dbraw/zinc/43/04/45/610430445.db2.gz UCPIZONSFWSAQF-LSDHHAIUSA-N 1 1 343.431 0.606 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000941675178 610447934 /nfs/dbraw/zinc/44/79/34/610447934.db2.gz SMKHICZDLXLBOB-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C[C@H](C(=O)N1CCN(C2C[NH+](CCO)C2)CC1)c1ccccc1 ZINC000941675279 610447963 /nfs/dbraw/zinc/44/79/63/610447963.db2.gz WWLZMDAKYNANTA-SFHVURJKSA-N 1 1 329.444 0.777 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CCn3cc(Cl)cn3)CC2)C1 ZINC000941677396 610450472 /nfs/dbraw/zinc/45/04/72/610450472.db2.gz OLJIMSBECYPPTL-UHFFFAOYSA-N 1 1 337.855 0.941 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941789623 610495776 /nfs/dbraw/zinc/49/57/76/610495776.db2.gz MLFRMWXPGUMYPP-SMDDNHRTSA-N 1 1 345.432 0.633 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](C)C1 ZINC000942542876 610505866 /nfs/dbraw/zinc/50/58/66/610505866.db2.gz LVKNMNMOICEPEI-LSDHHAIUSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](C)C1 ZINC000942542437 610506075 /nfs/dbraw/zinc/50/60/75/610506075.db2.gz FJQQRZYBWMTKAJ-KBPBESRZSA-N 1 1 329.404 0.509 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941791597 610510288 /nfs/dbraw/zinc/51/02/88/610510288.db2.gz VBWVWRIZYQIPMK-CZUORRHYSA-N 1 1 339.403 0.572 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1NC(=O)C(N)=O ZINC000942590764 610526304 /nfs/dbraw/zinc/52/63/04/610526304.db2.gz ADOXIGIIBRLMGQ-DOMZBBRYSA-N 1 1 330.388 0.401 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)nc1 ZINC000941881464 610540338 /nfs/dbraw/zinc/54/03/38/610540338.db2.gz FRRAZSWTTYCMGU-OAHLLOKOSA-N 1 1 337.383 0.599 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000941096944 610545668 /nfs/dbraw/zinc/54/56/68/610545668.db2.gz GELWTIRIESUPPF-MRXNPFEDSA-N 1 1 340.427 0.689 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC000941172409 610574797 /nfs/dbraw/zinc/57/47/97/610574797.db2.gz BBALXUQXMBXRLA-CQSZACIVSA-N 1 1 344.415 0.409 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC000941172409 610574798 /nfs/dbraw/zinc/57/47/98/610574798.db2.gz BBALXUQXMBXRLA-CQSZACIVSA-N 1 1 344.415 0.409 20 30 ECEDMO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964865 610587117 /nfs/dbraw/zinc/58/71/17/610587117.db2.gz VAIBXFNSFUBZIN-DOMZBBRYSA-N 1 1 327.392 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000941197877 610589010 /nfs/dbraw/zinc/58/90/10/610589010.db2.gz CYIBPFFLHRNRSE-ZDUSSCGKSA-N 1 1 348.447 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ocnc2CC)C1 ZINC000941241414 610614195 /nfs/dbraw/zinc/61/41/95/610614195.db2.gz CPJMRGJLNKMWDG-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ocnc2CC)C1 ZINC000941241414 610614198 /nfs/dbraw/zinc/61/41/98/610614198.db2.gz CPJMRGJLNKMWDG-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2ccon2)C1 ZINC000941245832 610616497 /nfs/dbraw/zinc/61/64/97/610616497.db2.gz WZYCPABIRBXJPR-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2ccon2)C1 ZINC000941245832 610616498 /nfs/dbraw/zinc/61/64/98/610616498.db2.gz WZYCPABIRBXJPR-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN([C@@H](C)C(N)=O)CC2(C)C)CC1 ZINC000941237410 610620829 /nfs/dbraw/zinc/62/08/29/610620829.db2.gz MVHFIIXDANVXTI-HOCLYGCPSA-N 1 1 348.491 0.422 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000941237571 610621175 /nfs/dbraw/zinc/62/11/75/610621175.db2.gz CIVFNAUPRRVJJH-ZACQAIPSSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C(C)(C)C1 ZINC000941237288 610621223 /nfs/dbraw/zinc/62/12/23/610621223.db2.gz KHYLWTJKTJHGBX-HUUCEWRRSA-N 1 1 329.448 0.999 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2cnon2)C1 ZINC000942935803 610692871 /nfs/dbraw/zinc/69/28/71/610692871.db2.gz LYYNTYOIWRWBEA-HIFRSBDPSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2cnon2)C1 ZINC000942935803 610692874 /nfs/dbraw/zinc/69/28/74/610692874.db2.gz LYYNTYOIWRWBEA-HIFRSBDPSA-N 1 1 345.403 0.230 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943154504 610737004 /nfs/dbraw/zinc/73/70/04/610737004.db2.gz AMKHUVXPIGUNHW-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943154504 610737005 /nfs/dbraw/zinc/73/70/05/610737005.db2.gz AMKHUVXPIGUNHW-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@H](C)C1 ZINC000944135338 610751847 /nfs/dbraw/zinc/75/18/47/610751847.db2.gz KYJUQXYJWJOSQZ-OCCSQVGLSA-N 1 1 327.388 0.898 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H](C)C1 ZINC000944135434 610752078 /nfs/dbraw/zinc/75/20/78/610752078.db2.gz LZYHKSWWYSAQHW-MNOVXSKESA-N 1 1 336.392 0.913 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2C)nc1 ZINC000944191437 610775343 /nfs/dbraw/zinc/77/53/43/610775343.db2.gz CSMOLIQFUIGRDF-DZGCQCFKSA-N 1 1 328.416 0.591 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000944277407 610819525 /nfs/dbraw/zinc/81/95/25/610819525.db2.gz NXUFVWQTMGFBCU-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2cnon2)C1 ZINC000943469242 610861888 /nfs/dbraw/zinc/86/18/88/610861888.db2.gz FHKWDGBWHSBUID-HIFRSBDPSA-N 1 1 345.403 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2cnon2)C1 ZINC000943469242 610861890 /nfs/dbraw/zinc/86/18/90/610861890.db2.gz FHKWDGBWHSBUID-HIFRSBDPSA-N 1 1 345.403 0.278 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C)nn1 ZINC000943480717 610868396 /nfs/dbraw/zinc/86/83/96/610868396.db2.gz FXBCNVAUESHRKW-DZGCQCFKSA-N 1 1 343.435 0.838 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC000944984091 610869048 /nfs/dbraw/zinc/86/90/48/610869048.db2.gz ZBSPWXIIUAFTKX-HUUCEWRRSA-N 1 1 332.448 0.939 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](C)C1 ZINC000943517065 610882122 /nfs/dbraw/zinc/88/21/22/610882122.db2.gz NXGBQGHQWWFEEX-ZIAGYGMSSA-N 1 1 334.424 0.191 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@@H]2C)nn1 ZINC000943500513 610885046 /nfs/dbraw/zinc/88/50/46/610885046.db2.gz YGYMFGMGIHYNFO-LSDHHAIUSA-N 1 1 343.435 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)C#N)CC2 ZINC000945034807 610889855 /nfs/dbraw/zinc/88/98/55/610889855.db2.gz GJUAWKPRRBUITO-CVEARBPZSA-N 1 1 342.443 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)C#N)CC2 ZINC000945034807 610889856 /nfs/dbraw/zinc/88/98/56/610889856.db2.gz GJUAWKPRRBUITO-CVEARBPZSA-N 1 1 342.443 0.695 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)CC[N@H+]1C ZINC000944614945 611027189 /nfs/dbraw/zinc/02/71/89/611027189.db2.gz FHNLHJSLTMWASY-VNQPRFMTSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC2CCC2)CCO1 ZINC000944648713 611057346 /nfs/dbraw/zinc/05/73/46/611057346.db2.gz WRUZYFPQBCPOGN-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC2CCC2)CCO1 ZINC000944648713 611057349 /nfs/dbraw/zinc/05/73/49/611057349.db2.gz WRUZYFPQBCPOGN-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H](C)C1 ZINC000944033167 611097431 /nfs/dbraw/zinc/09/74/31/611097431.db2.gz JVBAOHIGZBGART-HUUCEWRRSA-N 1 1 345.447 0.231 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1C ZINC000944062619 611109212 /nfs/dbraw/zinc/10/92/12/611109212.db2.gz QXGNIVICNWPDFK-KBPBESRZSA-N 1 1 346.431 0.833 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@@H]1C ZINC000944062619 611109214 /nfs/dbraw/zinc/10/92/14/611109214.db2.gz QXGNIVICNWPDFK-KBPBESRZSA-N 1 1 346.431 0.833 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1C ZINC000944062956 611109631 /nfs/dbraw/zinc/10/96/31/611109631.db2.gz SOZMKGMWFWINQN-OLZOCXBDSA-N 1 1 332.404 0.572 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1C ZINC000944062956 611109633 /nfs/dbraw/zinc/10/96/33/611109633.db2.gz SOZMKGMWFWINQN-OLZOCXBDSA-N 1 1 332.404 0.572 20 30 ECEDMO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000945964531 611168110 /nfs/dbraw/zinc/16/81/10/611168110.db2.gz MVDRFOTXIGSFAE-QMCVQRASSA-N 1 1 347.459 0.472 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)CC[C@@H]2C1 ZINC000946878247 611217556 /nfs/dbraw/zinc/21/75/56/611217556.db2.gz KEBMRUBQSBSKLH-KSZLIROESA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]2C1 ZINC000946884430 611224640 /nfs/dbraw/zinc/22/46/40/611224640.db2.gz AERHOBASDBESTQ-GASCZTMLSA-N 1 1 348.447 0.675 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3C(C)=O)CC[C@@H]2C1 ZINC000946896152 611238869 /nfs/dbraw/zinc/23/88/69/611238869.db2.gz FIEWOQHNDWOEQJ-FGTMMUONSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCN(C(=O)NCCCN1CCC[C@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000923406098 611239717 /nfs/dbraw/zinc/23/97/17/611239717.db2.gz WLPVKGZSPAGNNR-INIZCTEOSA-N 1 1 349.479 0.065 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)CN2CCNCC[NH2+]CC2)c(OC)c1 ZINC000923460447 611245836 /nfs/dbraw/zinc/24/58/36/611245836.db2.gz ODGFYCVRVYKQJT-KRWDZBQOSA-N 1 1 349.475 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000923567003 611262803 /nfs/dbraw/zinc/26/28/03/611262803.db2.gz VXKITFGLPUDSNN-ZDUSSCGKSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000923567003 611262806 /nfs/dbraw/zinc/26/28/06/611262806.db2.gz VXKITFGLPUDSNN-ZDUSSCGKSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)C1 ZINC000923566118 611264192 /nfs/dbraw/zinc/26/41/92/611264192.db2.gz KPJJTSMPNCWPGL-AWEZNQCLSA-N 1 1 349.456 0.778 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)C1 ZINC000923566118 611264193 /nfs/dbraw/zinc/26/41/93/611264193.db2.gz KPJJTSMPNCWPGL-AWEZNQCLSA-N 1 1 349.456 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000923574348 611267276 /nfs/dbraw/zinc/26/72/76/611267276.db2.gz DARWLOMDZRJOEX-KRWDZBQOSA-N 1 1 341.459 0.417 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000923574348 611267277 /nfs/dbraw/zinc/26/72/77/611267277.db2.gz DARWLOMDZRJOEX-KRWDZBQOSA-N 1 1 341.459 0.417 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](Cc2ccccc2)n2cnnn2)C1 ZINC000923590450 611270814 /nfs/dbraw/zinc/27/08/14/611270814.db2.gz XCZPMKOTACOYPL-IRXDYDNUSA-N 1 1 338.415 0.671 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](Cc2ccccc2)n2cnnn2)C1 ZINC000923590450 611270816 /nfs/dbraw/zinc/27/08/16/611270816.db2.gz XCZPMKOTACOYPL-IRXDYDNUSA-N 1 1 338.415 0.671 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000923590622 611270825 /nfs/dbraw/zinc/27/08/25/611270825.db2.gz YHZIEUJIVCVEPO-LSDHHAIUSA-N 1 1 329.400 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000923590622 611270827 /nfs/dbraw/zinc/27/08/27/611270827.db2.gz YHZIEUJIVCVEPO-LSDHHAIUSA-N 1 1 329.400 0.842 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC000947925653 611284384 /nfs/dbraw/zinc/28/43/84/611284384.db2.gz RIMFBSRCRYCWLM-NEPJUHHUSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC000947925653 611284386 /nfs/dbraw/zinc/28/43/86/611284386.db2.gz RIMFBSRCRYCWLM-NEPJUHHUSA-N 1 1 342.827 0.602 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]2CC1 ZINC000946514780 611294761 /nfs/dbraw/zinc/29/47/61/611294761.db2.gz OKNYPVGPUFYPRL-MWDXBVQZSA-N 1 1 345.447 0.574 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000946517549 611296660 /nfs/dbraw/zinc/29/66/60/611296660.db2.gz FISYWOIUECAQBZ-MLGOLLRUSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000946518485 611297479 /nfs/dbraw/zinc/29/74/79/611297479.db2.gz ZUPIGUQMTYIDLK-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO N#CC1(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCCC1 ZINC000922346593 611347929 /nfs/dbraw/zinc/34/79/29/611347929.db2.gz KFQQNZZRHPRCDK-INIZCTEOSA-N 1 1 334.464 0.983 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C ZINC000947895103 611734383 /nfs/dbraw/zinc/73/43/83/611734383.db2.gz HPBUFDVTJZCNBE-CHWSQXEVSA-N 1 1 334.420 0.309 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000947965413 611757940 /nfs/dbraw/zinc/75/79/40/611757940.db2.gz SQHCPLYYJLZEHG-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000934118886 611769929 /nfs/dbraw/zinc/76/99/29/611769929.db2.gz QQMCXFKVZUNBNQ-HUUCEWRRSA-N 1 1 347.419 0.613 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2c3ccccc3CC[N@H+]2CCO)nn1 ZINC000948970249 611777611 /nfs/dbraw/zinc/77/76/11/611777611.db2.gz VCPQLRIABORAKC-QGZVFWFLSA-N 1 1 341.415 0.786 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2c3ccccc3CC[N@@H+]2CCO)nn1 ZINC000948970249 611777614 /nfs/dbraw/zinc/77/76/14/611777614.db2.gz VCPQLRIABORAKC-QGZVFWFLSA-N 1 1 341.415 0.786 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCN(c3ccccc3)[C@@H](C)C2)CC1 ZINC000934323144 611789955 /nfs/dbraw/zinc/78/99/55/611789955.db2.gz NEADPHYXWOQUAW-SFHVURJKSA-N 1 1 340.471 0.975 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCN(c3ccccc3)[C@@H](C)C2)CC1 ZINC000934323144 611789960 /nfs/dbraw/zinc/78/99/60/611789960.db2.gz NEADPHYXWOQUAW-SFHVURJKSA-N 1 1 340.471 0.975 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)CC1 ZINC000934436934 611799254 /nfs/dbraw/zinc/79/92/54/611799254.db2.gz DGKYFSUQCNWTSG-RTBURBONSA-N 1 1 341.455 0.299 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3cnnn3C)CC2)C1 ZINC000949051440 611828843 /nfs/dbraw/zinc/82/88/43/611828843.db2.gz HIUGUOWIJSDSMG-CYBMUJFWSA-N 1 1 332.408 0.168 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CC2(O)CCC2)C1 ZINC000950744406 611880081 /nfs/dbraw/zinc/88/00/81/611880081.db2.gz UMEKGLLLDQZKDX-HOTGVXAUSA-N 1 1 347.459 0.496 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CC2(O)CCC2)C1 ZINC000950744406 611880083 /nfs/dbraw/zinc/88/00/83/611880083.db2.gz UMEKGLLLDQZKDX-HOTGVXAUSA-N 1 1 347.459 0.496 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cscn1 ZINC000950755186 611890856 /nfs/dbraw/zinc/89/08/56/611890856.db2.gz GAEGRDJLNNLSIV-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cscn1 ZINC000950755186 611890857 /nfs/dbraw/zinc/89/08/57/611890857.db2.gz GAEGRDJLNNLSIV-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)/C=C\c1ccc[nH]1 ZINC000950755138 611890923 /nfs/dbraw/zinc/89/09/23/611890923.db2.gz DZWLWYYSBYEGCM-ZMJQMOPZSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)/C=C\c1ccc[nH]1 ZINC000950755138 611890924 /nfs/dbraw/zinc/89/09/24/611890924.db2.gz DZWLWYYSBYEGCM-ZMJQMOPZSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(F)nc1 ZINC000950755630 611891271 /nfs/dbraw/zinc/89/12/71/611891271.db2.gz QGLQEZLUSPLJGG-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(F)nc1 ZINC000950755630 611891272 /nfs/dbraw/zinc/89/12/72/611891272.db2.gz QGLQEZLUSPLJGG-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000950234042 611919461 /nfs/dbraw/zinc/91/94/61/611919461.db2.gz LWJPAKHJLUNWRX-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000949283407 611927821 /nfs/dbraw/zinc/92/78/21/611927821.db2.gz MZRAWUDURYZPCR-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC000949295688 611930266 /nfs/dbraw/zinc/93/02/66/611930266.db2.gz TXQZORSCIGEZBV-UHFFFAOYSA-N 1 1 333.432 0.326 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC000949295688 611930268 /nfs/dbraw/zinc/93/02/68/611930268.db2.gz TXQZORSCIGEZBV-UHFFFAOYSA-N 1 1 333.432 0.326 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000949343684 611945758 /nfs/dbraw/zinc/94/57/58/611945758.db2.gz NFCJXCCUXGURRT-CYBMUJFWSA-N 1 1 332.404 0.574 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950861150 611950291 /nfs/dbraw/zinc/95/02/91/611950291.db2.gz AHKMBRKPLAWCCP-ZIAGYGMSSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000950866264 611954459 /nfs/dbraw/zinc/95/44/59/611954459.db2.gz KHNFRPNHULSFKV-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000949394607 611963070 /nfs/dbraw/zinc/96/30/70/611963070.db2.gz XFDYEHFNGPBURS-UMVBOHGHSA-N 1 1 336.436 0.220 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000949394607 611963072 /nfs/dbraw/zinc/96/30/72/611963072.db2.gz XFDYEHFNGPBURS-UMVBOHGHSA-N 1 1 336.436 0.220 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000950878377 611963992 /nfs/dbraw/zinc/96/39/92/611963992.db2.gz MHKHIRATOXBTQJ-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000949450311 611985398 /nfs/dbraw/zinc/98/53/98/611985398.db2.gz YQKQWKBGZBLITD-OFQRWUPVSA-N 1 1 343.431 0.947 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@]23CC[N@@H+](C2)CCC3)[nH]1 ZINC000949452894 611986511 /nfs/dbraw/zinc/98/65/11/611986511.db2.gz SQXFGONFXQYBSG-KDOFPFPSSA-N 1 1 341.415 0.703 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC000949454102 611986955 /nfs/dbraw/zinc/98/69/55/611986955.db2.gz CSFQZLBOQCYCLF-UHFFFAOYSA-N 1 1 334.420 0.678 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC000949454102 611986958 /nfs/dbraw/zinc/98/69/58/611986958.db2.gz CSFQZLBOQCYCLF-UHFFFAOYSA-N 1 1 334.420 0.678 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 ZINC000949458527 611988094 /nfs/dbraw/zinc/98/80/94/611988094.db2.gz FVVYYKYCIUDUHR-KRWDZBQOSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000949471304 611991891 /nfs/dbraw/zinc/99/18/91/611991891.db2.gz XCKZFXRECOYCMU-IRXDYDNUSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCCN1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000949471304 611991894 /nfs/dbraw/zinc/99/18/94/611991894.db2.gz XCKZFXRECOYCMU-IRXDYDNUSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCCN1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000949471304 611991895 /nfs/dbraw/zinc/99/18/95/611991895.db2.gz XCKZFXRECOYCMU-IRXDYDNUSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949480201 611995793 /nfs/dbraw/zinc/99/57/93/611995793.db2.gz LFSUQTZUQTWKNH-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000949499243 612008974 /nfs/dbraw/zinc/00/89/74/612008974.db2.gz YQLKQMFPFZFHKA-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)c2cnc(C)[nH]2)CC1 ZINC000950428144 612015069 /nfs/dbraw/zinc/01/50/69/612015069.db2.gz HAPZYTYTXXRNSG-OAHLLOKOSA-N 1 1 343.431 0.394 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC000949529160 612022446 /nfs/dbraw/zinc/02/24/46/612022446.db2.gz LVPGRBIRGYNMRM-UHFFFAOYSA-N 1 1 346.431 0.997 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950482378 612035455 /nfs/dbraw/zinc/03/54/55/612035455.db2.gz LFJMFIKGHYFHET-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950517239 612049474 /nfs/dbraw/zinc/04/94/74/612049474.db2.gz KHABMQLRFRQIDM-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000950517737 612049706 /nfs/dbraw/zinc/04/97/06/612049706.db2.gz SMDQTWYELAHZTJ-CQSZACIVSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2=CCOCC2)C1 ZINC000950546969 612064447 /nfs/dbraw/zinc/06/44/47/612064447.db2.gz WHWMNOIKPVQZQY-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2=CCOCC2)C1 ZINC000950546969 612064448 /nfs/dbraw/zinc/06/44/48/612064448.db2.gz WHWMNOIKPVQZQY-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cnccn2)C1 ZINC000951223243 612087678 /nfs/dbraw/zinc/08/76/78/612087678.db2.gz AQUJKOIVDBHSKX-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cnccn2)C1 ZINC000951223243 612087681 /nfs/dbraw/zinc/08/76/81/612087681.db2.gz AQUJKOIVDBHSKX-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951223280 612087900 /nfs/dbraw/zinc/08/79/00/612087900.db2.gz CLRXYCCBRSZQJS-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951223280 612087902 /nfs/dbraw/zinc/08/79/02/612087902.db2.gz CLRXYCCBRSZQJS-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000951223687 612088345 /nfs/dbraw/zinc/08/83/45/612088345.db2.gz NOPNDTYDNIISHL-KBPBESRZSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000951223687 612088348 /nfs/dbraw/zinc/08/83/48/612088348.db2.gz NOPNDTYDNIISHL-KBPBESRZSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC000951223937 612088906 /nfs/dbraw/zinc/08/89/06/612088906.db2.gz TYMGXRACYFFGQC-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC000951223937 612088909 /nfs/dbraw/zinc/08/89/09/612088909.db2.gz TYMGXRACYFFGQC-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC000951223939 612089069 /nfs/dbraw/zinc/08/90/69/612089069.db2.gz TYMGXRACYFFGQC-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC000951223939 612089071 /nfs/dbraw/zinc/08/90/71/612089071.db2.gz TYMGXRACYFFGQC-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC000952748362 612089519 /nfs/dbraw/zinc/08/95/19/612089519.db2.gz HGFFILMNLYYIMW-YUELXQCFSA-N 1 1 329.404 0.943 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000953131235 612173402 /nfs/dbraw/zinc/17/34/02/612173402.db2.gz UGKXORHCKGPRDZ-VQIMIIECSA-N 1 1 329.444 0.945 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC000953167237 612189790 /nfs/dbraw/zinc/18/97/90/612189790.db2.gz JLZBDMZLFRPIGG-APWZRJJASA-N 1 1 329.444 0.803 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCC[N@@H+]2C)nc1 ZINC000951376429 612192735 /nfs/dbraw/zinc/19/27/35/612192735.db2.gz FIOYVVRIGPGWJQ-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2csnn2)C1 ZINC000951443031 612236569 /nfs/dbraw/zinc/23/65/69/612236569.db2.gz HSPHYIOMOAUYMA-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2csnn2)C1 ZINC000951443031 612236571 /nfs/dbraw/zinc/23/65/71/612236571.db2.gz HSPHYIOMOAUYMA-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2cocn2)CC1 ZINC000953813412 612306743 /nfs/dbraw/zinc/30/67/43/612306743.db2.gz KAWWTHCLGBHVBW-INIZCTEOSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2cocn2)CC1 ZINC000953813412 612306747 /nfs/dbraw/zinc/30/67/47/612306747.db2.gz KAWWTHCLGBHVBW-INIZCTEOSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nocc2C)C1 ZINC000955308197 612424850 /nfs/dbraw/zinc/42/48/50/612424850.db2.gz BYVNNSVPZFGBNR-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nocc2C)C1 ZINC000955308197 612424855 /nfs/dbraw/zinc/42/48/55/612424855.db2.gz BYVNNSVPZFGBNR-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000954630321 612466898 /nfs/dbraw/zinc/46/68/98/612466898.db2.gz BBLZKKIBNMOPPK-YJBOKZPZSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000954630321 612466899 /nfs/dbraw/zinc/46/68/99/612466899.db2.gz BBLZKKIBNMOPPK-YJBOKZPZSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[C@H]2CCCO2)C1 ZINC000954630336 612467539 /nfs/dbraw/zinc/46/75/39/612467539.db2.gz CEGADDDUYLOGMU-SJORKVTESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[C@H]2CCCO2)C1 ZINC000954630336 612467543 /nfs/dbraw/zinc/46/75/43/612467543.db2.gz CEGADDDUYLOGMU-SJORKVTESA-N 1 1 347.459 0.712 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000953959543 612499151 /nfs/dbraw/zinc/49/91/51/612499151.db2.gz JBWIQPQNSQIYME-QGZVFWFLSA-N 1 1 341.411 0.281 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000953959543 612499153 /nfs/dbraw/zinc/49/91/53/612499153.db2.gz JBWIQPQNSQIYME-QGZVFWFLSA-N 1 1 341.411 0.281 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000955367546 612505052 /nfs/dbraw/zinc/50/50/52/612505052.db2.gz QNMAZESVVXRLHU-OAGGEKHMSA-N 1 1 335.448 0.731 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955948290 612521502 /nfs/dbraw/zinc/52/15/02/612521502.db2.gz JUZOVFLWOQHAFP-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnc(C)n1C ZINC000951731884 612523778 /nfs/dbraw/zinc/52/37/78/612523778.db2.gz IHIQOAVYAAULHB-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnc(C)n1C ZINC000951731884 612523782 /nfs/dbraw/zinc/52/37/82/612523782.db2.gz IHIQOAVYAAULHB-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CC(F)(F)C2)C1 ZINC000954011348 612547210 /nfs/dbraw/zinc/54/72/10/612547210.db2.gz WQNKJRKKDJOXML-AWEZNQCLSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CC(F)(F)C2)C1 ZINC000954011348 612547212 /nfs/dbraw/zinc/54/72/12/612547212.db2.gz WQNKJRKKDJOXML-AWEZNQCLSA-N 1 1 339.386 0.799 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000955975122 612550803 /nfs/dbraw/zinc/55/08/03/612550803.db2.gz ABWQVEZKVJHBBN-UHOFOFEASA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000954044424 612585489 /nfs/dbraw/zinc/58/54/89/612585489.db2.gz AMAROJWZNLJODT-ZBFHGGJFSA-N 1 1 330.432 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000954044424 612585495 /nfs/dbraw/zinc/58/54/95/612585495.db2.gz AMAROJWZNLJODT-ZBFHGGJFSA-N 1 1 330.432 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccn(C)n1 ZINC000956020787 612618629 /nfs/dbraw/zinc/61/86/29/612618629.db2.gz FNQIOOXYZBBEPP-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccn(C)n1 ZINC000956020787 612618630 /nfs/dbraw/zinc/61/86/30/612618630.db2.gz FNQIOOXYZBBEPP-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1ccc[nH]1 ZINC000956043063 612642843 /nfs/dbraw/zinc/64/28/43/612642843.db2.gz NQMSUSIOFCPDNN-IRXDYDNUSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1ccc[nH]1 ZINC000956043063 612642846 /nfs/dbraw/zinc/64/28/46/612642846.db2.gz NQMSUSIOFCPDNN-IRXDYDNUSA-N 1 1 342.443 0.762 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954796359 612690297 /nfs/dbraw/zinc/69/02/97/612690297.db2.gz YAJIMOKSCKROLC-UHFFFAOYSA-N 1 1 326.360 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCOCC2)C1 ZINC000954172696 612737102 /nfs/dbraw/zinc/73/71/02/612737102.db2.gz PPMGXYHMJAJWGA-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCOCC2)C1 ZINC000954172696 612737104 /nfs/dbraw/zinc/73/71/04/612737104.db2.gz PPMGXYHMJAJWGA-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccnnc2C)C1 ZINC000954881726 612760618 /nfs/dbraw/zinc/76/06/18/612760618.db2.gz LPZRYRUKDJKCLU-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccnnc2C)C1 ZINC000954881726 612760621 /nfs/dbraw/zinc/76/06/21/612760621.db2.gz LPZRYRUKDJKCLU-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2cn[nH]c2)CC1 ZINC000956300041 612818523 /nfs/dbraw/zinc/81/85/23/612818523.db2.gz NSASJEZWCHWLGN-HNNXBMFYSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2cn[nH]c2)CC1 ZINC000956300041 612818526 /nfs/dbraw/zinc/81/85/26/612818526.db2.gz NSASJEZWCHWLGN-HNNXBMFYSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cnns2)C1 ZINC000956732560 612939724 /nfs/dbraw/zinc/93/97/24/612939724.db2.gz LGLOIJBITLGIQC-BLLLJJGKSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cnns2)C1 ZINC000956732560 612939725 /nfs/dbraw/zinc/93/97/25/612939725.db2.gz LGLOIJBITLGIQC-BLLLJJGKSA-N 1 1 347.444 0.357 20 30 ECEDMO CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164934127 721887390 /nfs/dbraw/zinc/88/73/90/721887390.db2.gz PPFAUVUZKVAKDZ-IAGOWNOFSA-N 1 1 339.447 0.997 20 30 ECEDMO CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164934127 721887391 /nfs/dbraw/zinc/88/73/91/721887391.db2.gz PPFAUVUZKVAKDZ-IAGOWNOFSA-N 1 1 339.447 0.997 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC001041786808 782207151 /nfs/dbraw/zinc/20/71/51/782207151.db2.gz WDQBVYNTEQBQME-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786808 782207154 /nfs/dbraw/zinc/20/71/54/782207154.db2.gz WDQBVYNTEQBQME-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786808 782207162 /nfs/dbraw/zinc/20/71/62/782207162.db2.gz WDQBVYNTEQBQME-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786808 782207171 /nfs/dbraw/zinc/20/71/71/782207171.db2.gz WDQBVYNTEQBQME-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786808 782207182 /nfs/dbraw/zinc/20/71/82/782207182.db2.gz WDQBVYNTEQBQME-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CNc1ccnc(C#N)n1)C(C)(C)C ZINC001125810835 738435873 /nfs/dbraw/zinc/43/58/73/738435873.db2.gz FQAANXKSMWQTQP-STQMWFEESA-N 1 1 330.436 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1nonc1C ZINC001024987462 738461667 /nfs/dbraw/zinc/46/16/67/738461667.db2.gz LNFTWAUBEPIQAS-WBVHZDCISA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1nonc1C ZINC001024987462 738461668 /nfs/dbraw/zinc/46/16/68/738461668.db2.gz LNFTWAUBEPIQAS-WBVHZDCISA-N 1 1 345.447 0.946 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N(CCO)CCNc1ccc(C#N)nn1 ZINC001111582778 731481552 /nfs/dbraw/zinc/48/15/52/731481552.db2.gz NRXMHUBZIMHLGY-OAHLLOKOSA-N 1 1 346.435 0.455 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC000969139286 731516301 /nfs/dbraw/zinc/51/63/01/731516301.db2.gz KYGVHNVYFWPBHN-CYBMUJFWSA-N 1 1 329.404 0.573 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC000969153161 731533390 /nfs/dbraw/zinc/53/33/90/731533390.db2.gz BHZWNQMGWWNPLY-SJORKVTESA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C(=O)NC)nc3)C2)C1 ZINC001041792661 782220377 /nfs/dbraw/zinc/22/03/77/782220377.db2.gz SSVOHUQJYLWKJX-SFHVURJKSA-N 1 1 326.400 0.612 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC000969352504 731749994 /nfs/dbraw/zinc/74/99/94/731749994.db2.gz TZVYSTDOTRTSQZ-IUODEOHRSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccnn3C)C2)C1=O ZINC000969388139 731788503 /nfs/dbraw/zinc/78/85/03/731788503.db2.gz CJAXULNZEUQAQA-WFASDCNBSA-N 1 1 331.420 0.257 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)c2cnc(OC)nc2)CC1 ZINC001098522797 731808705 /nfs/dbraw/zinc/80/87/05/731808705.db2.gz QVXOLKMVGUWENN-UHFFFAOYSA-N 1 1 332.404 0.407 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CCC(N)=O)cc3)[C@H]2C1 ZINC001083189714 731851416 /nfs/dbraw/zinc/85/14/16/731851416.db2.gz DWSKUNRYRSTPOO-DLBZAZTESA-N 1 1 343.427 0.816 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CCC(N)=O)cc3)[C@H]2C1 ZINC001083189714 731851420 /nfs/dbraw/zinc/85/14/20/731851420.db2.gz DWSKUNRYRSTPOO-DLBZAZTESA-N 1 1 343.427 0.816 20 30 ECEDMO C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001041809271 782247018 /nfs/dbraw/zinc/24/70/18/782247018.db2.gz YEZYSXZPJNZDNI-YUELXQCFSA-N 1 1 329.404 0.225 20 30 ECEDMO C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001041809271 782247022 /nfs/dbraw/zinc/24/70/22/782247022.db2.gz YEZYSXZPJNZDNI-YUELXQCFSA-N 1 1 329.404 0.225 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(OCC)no2)[C@@H](n2ccnn2)C1 ZINC001069981652 790275045 /nfs/dbraw/zinc/27/50/45/790275045.db2.gz POLCEFIAOVXWIJ-OLZOCXBDSA-N 1 1 346.391 0.896 20 30 ECEDMO CN1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1=O ZINC000969637577 732018273 /nfs/dbraw/zinc/01/82/73/732018273.db2.gz MZRVDICIOUKXRS-HZPDHXFCSA-N 1 1 344.390 0.866 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3nn(C)cc3C)C2)C1=O ZINC000969655905 732026432 /nfs/dbraw/zinc/02/64/32/732026432.db2.gz CAILINAMUXMUCH-HIFRSBDPSA-N 1 1 345.447 0.566 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041811364 782251119 /nfs/dbraw/zinc/25/11/19/782251119.db2.gz NKRKNZBNNQEUJU-FUHWJXTLSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041810667 782249404 /nfs/dbraw/zinc/24/94/04/782249404.db2.gz HQOYZYGYOXHSKY-WMZOPIPTSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4ncn(C)c4n3)[C@H]2C1 ZINC001083191723 732289329 /nfs/dbraw/zinc/28/93/29/732289329.db2.gz NWRJPFMWVRNXEZ-LSDHHAIUSA-N 1 1 327.388 0.680 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4ncn(C)c4n3)[C@H]2C1 ZINC001083191723 732289331 /nfs/dbraw/zinc/28/93/31/732289331.db2.gz NWRJPFMWVRNXEZ-LSDHHAIUSA-N 1 1 327.388 0.680 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)c2ccc(OC)nn2)CC1 ZINC001098524802 732325348 /nfs/dbraw/zinc/32/53/48/732325348.db2.gz QYPYWUCUJMYJEE-UHFFFAOYSA-N 1 1 334.420 0.960 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001078074598 782256344 /nfs/dbraw/zinc/25/63/44/782256344.db2.gz JRDDBUYKHRJFPL-DZGCQCFKSA-N 1 1 348.447 0.968 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cn(C)nc2C)C1 ZINC000969868042 732463201 /nfs/dbraw/zinc/46/32/01/732463201.db2.gz HDXJNIAZHNXJHG-KSSFIOAISA-N 1 1 343.475 0.763 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nccn2CC)C1 ZINC000969868987 732466162 /nfs/dbraw/zinc/46/61/62/732466162.db2.gz NFVCPUJZTWHEPN-RDJZCZTQSA-N 1 1 343.475 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nccn2CC)C1 ZINC000969868987 732466165 /nfs/dbraw/zinc/46/61/65/732466165.db2.gz NFVCPUJZTWHEPN-RDJZCZTQSA-N 1 1 343.475 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ncccn2)C1 ZINC000969870408 732468575 /nfs/dbraw/zinc/46/85/75/732468575.db2.gz XNKVHTHGGDAYCE-HOCLYGCPSA-N 1 1 327.432 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ncccn2)C1 ZINC000969870408 732468578 /nfs/dbraw/zinc/46/85/78/732468578.db2.gz XNKVHTHGGDAYCE-HOCLYGCPSA-N 1 1 327.432 0.511 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC000970025917 732641475 /nfs/dbraw/zinc/64/14/75/732641475.db2.gz ANVIEWQXDKVJKQ-LRDDRELGSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC000970025921 732641597 /nfs/dbraw/zinc/64/15/97/732641597.db2.gz ANVIEWQXDKVJKQ-WBMJQRKESA-N 1 1 345.447 0.809 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069984887 790278927 /nfs/dbraw/zinc/27/89/27/790278927.db2.gz PKWDMDWDXYMAOI-SJORKVTESA-N 1 1 338.415 0.969 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069984887 790278931 /nfs/dbraw/zinc/27/89/31/790278931.db2.gz PKWDMDWDXYMAOI-SJORKVTESA-N 1 1 338.415 0.969 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836152 782310753 /nfs/dbraw/zinc/31/07/53/782310753.db2.gz PSACPYGQHQIWIS-OCCSQVGLSA-N 1 1 347.868 0.355 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836152 782310762 /nfs/dbraw/zinc/31/07/62/782310762.db2.gz PSACPYGQHQIWIS-OCCSQVGLSA-N 1 1 347.868 0.355 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccc(C#N)nc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001125322196 733003568 /nfs/dbraw/zinc/00/35/68/733003568.db2.gz VQXDVVCZJTXCTQ-QGZVFWFLSA-N 1 1 345.447 0.693 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2c3c(nn2C)CCC3)CC1 ZINC001098531238 733031524 /nfs/dbraw/zinc/03/15/24/733031524.db2.gz ZNAAYZBWKXZXOI-UHFFFAOYSA-N 1 1 332.448 0.994 20 30 ECEDMO C#CCN(C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000924043887 733125479 /nfs/dbraw/zinc/12/54/79/733125479.db2.gz LERKAKHXMFUPBZ-OCCSQVGLSA-N 1 1 327.450 0.159 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CNc2nccnc2C#N)C(C)(C)C)C1 ZINC001125828844 738684263 /nfs/dbraw/zinc/68/42/63/738684263.db2.gz XJJGNJOJJWHJLD-ZIAGYGMSSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CNc2nccnc2C#N)C(C)(C)C)C1 ZINC001125828844 738684267 /nfs/dbraw/zinc/68/42/67/738684267.db2.gz XJJGNJOJJWHJLD-ZIAGYGMSSA-N 1 1 346.435 0.622 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2nnnn2-c2ccccc2)c1 ZINC001125370736 733178339 /nfs/dbraw/zinc/17/83/39/733178339.db2.gz SHLACULWCROULI-UHFFFAOYSA-N 1 1 336.359 0.382 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3nn(C)c4c3CCCC4)[C@H]2C1 ZINC001083200883 733215210 /nfs/dbraw/zinc/21/52/10/733215210.db2.gz FNVDFBUDJQTKTH-DLBZAZTESA-N 1 1 342.443 0.847 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3nn(C)c4c3CCCC4)[C@H]2C1 ZINC001083200883 733215213 /nfs/dbraw/zinc/21/52/13/733215213.db2.gz FNVDFBUDJQTKTH-DLBZAZTESA-N 1 1 342.443 0.847 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCN(C)C1=O)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970294279 733324281 /nfs/dbraw/zinc/32/42/81/733324281.db2.gz YUXJJEUYXZOVMO-CXAGYDPISA-N 1 1 340.427 0.973 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2O)CC1 ZINC000970335021 733379257 /nfs/dbraw/zinc/37/92/57/733379257.db2.gz DKOVQUMJAAFZBM-XHSDSOJGSA-N 1 1 335.448 0.372 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]2O)C1 ZINC000970402818 733474584 /nfs/dbraw/zinc/47/45/84/733474584.db2.gz JANPDONFNBQVKE-PMPSAXMXSA-N 1 1 349.475 0.905 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1ncccc1C#N ZINC001104268917 733535233 /nfs/dbraw/zinc/53/52/33/733535233.db2.gz VSAKYJCJSOOPLS-GZBFAFLISA-N 1 1 331.420 0.837 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1ncccc1C#N ZINC001104268917 733535236 /nfs/dbraw/zinc/53/52/36/733535236.db2.gz VSAKYJCJSOOPLS-GZBFAFLISA-N 1 1 331.420 0.837 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)C[C@@H](C)O)CC2)cn1 ZINC001098537310 733580500 /nfs/dbraw/zinc/58/05/00/733580500.db2.gz XXMUXEXMGQUMAO-CQSZACIVSA-N 1 1 331.416 0.343 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3CCC)C2)nc1 ZINC000970518179 733636267 /nfs/dbraw/zinc/63/62/67/733636267.db2.gz IUXDDNAMMLAZKV-CQSZACIVSA-N 1 1 339.403 0.464 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccn(CC)n3)C2)C1=O ZINC000970530636 733649461 /nfs/dbraw/zinc/64/94/61/733649461.db2.gz BYBKPJFPIHNLJL-CZUORRHYSA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3cnn(C)c3)C2)nn1 ZINC000970547851 733665325 /nfs/dbraw/zinc/66/53/25/733665325.db2.gz JRVZRMUJAHTREW-GFCCVEGCSA-N 1 1 329.408 0.448 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCC3)C2)nn1 ZINC000970551517 733667699 /nfs/dbraw/zinc/66/76/99/733667699.db2.gz GQLYCPKTXYIRLX-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001041862578 782361366 /nfs/dbraw/zinc/36/13/66/782361366.db2.gz YZYSSGFVBYXQRF-BLLLJJGKSA-N 1 1 339.823 0.716 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001041862578 782361372 /nfs/dbraw/zinc/36/13/72/782361372.db2.gz YZYSSGFVBYXQRF-BLLLJJGKSA-N 1 1 339.823 0.716 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCCNC3=O)C2)cn1 ZINC000970767899 733924718 /nfs/dbraw/zinc/92/47/18/733924718.db2.gz XUATUDZSIMUZQT-LRDDRELGSA-N 1 1 326.400 0.392 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cnc(C)cn3)C2)C1=O ZINC000971016379 734180807 /nfs/dbraw/zinc/18/08/07/734180807.db2.gz UWAGOXMXWDMGDY-GDBMZVCRSA-N 1 1 343.431 0.718 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC000971020927 734187077 /nfs/dbraw/zinc/18/70/77/734187077.db2.gz PBEMFEIREXWDPF-HZPDHXFCSA-N 1 1 344.415 0.253 20 30 ECEDMO Cc1cc(NCCN(CCO)C(=O)[C@H]2CCCC[N@@H+]2C)c(C#N)cn1 ZINC001111584680 734267451 /nfs/dbraw/zinc/26/74/51/734267451.db2.gz ILJWDILKBSGFNU-QGZVFWFLSA-N 1 1 345.447 0.401 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(c3ccncc3C#N)CCO2)C1 ZINC001104321315 734295724 /nfs/dbraw/zinc/29/57/24/734295724.db2.gz AIYJGHXVUZNRNR-ZBFHGGJFSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(c3cncc(C#N)n3)CCO2)C1 ZINC001104322264 734299847 /nfs/dbraw/zinc/29/98/47/734299847.db2.gz ZDAWCHUEFNIJRC-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)CC1 ZINC001098548132 734317818 /nfs/dbraw/zinc/31/78/18/734317818.db2.gz PCFKKMGLGNDCIG-INIZCTEOSA-N 1 1 337.464 0.716 20 30 ECEDMO CC[C@H](C)C(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#CCOC)C2 ZINC001111988286 738806754 /nfs/dbraw/zinc/80/67/54/738806754.db2.gz ANPYZDLGHGWJKZ-BXWFABGCSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3ccon3)C2)C1=O ZINC000971242107 734383604 /nfs/dbraw/zinc/38/36/04/734383604.db2.gz MUNWKCSZIQZKIV-LSDHHAIUSA-N 1 1 332.404 0.537 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 ZINC001098550450 734452683 /nfs/dbraw/zinc/45/26/83/734452683.db2.gz OKEFEDKCNNYEKV-MRXNPFEDSA-N 1 1 337.464 0.859 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000971357333 734470723 /nfs/dbraw/zinc/47/07/23/734470723.db2.gz QZRPVOZEUAAGFV-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3ncccc3O)C2)C1=O ZINC000971394183 734506699 /nfs/dbraw/zinc/50/66/99/734506699.db2.gz NKHDSMYTAFSPGF-KBPBESRZSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ncccc3O)C2)C1=O ZINC000971394183 734506700 /nfs/dbraw/zinc/50/67/00/734506700.db2.gz NKHDSMYTAFSPGF-KBPBESRZSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](C)O)C[C@@H]32)cc1 ZINC001083217269 734535445 /nfs/dbraw/zinc/53/54/45/734535445.db2.gz QJLMLLVYMBHHPL-FHLIZLRMSA-N 1 1 344.411 0.605 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCS1(=O)=O ZINC001039382416 734551323 /nfs/dbraw/zinc/55/13/23/734551323.db2.gz MRQXVJQPOTYRTJ-KGLIPLIRSA-N 1 1 327.450 0.273 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451668 734610138 /nfs/dbraw/zinc/61/01/38/734610138.db2.gz MMFDPWCHIOOMDU-GJZGRUSLSA-N 1 1 328.372 0.699 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451668 734610140 /nfs/dbraw/zinc/61/01/40/734610140.db2.gz MMFDPWCHIOOMDU-GJZGRUSLSA-N 1 1 328.372 0.699 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451670 734610239 /nfs/dbraw/zinc/61/02/39/734610239.db2.gz MMFDPWCHIOOMDU-LSDHHAIUSA-N 1 1 328.372 0.699 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451670 734610241 /nfs/dbraw/zinc/61/02/41/734610241.db2.gz MMFDPWCHIOOMDU-LSDHHAIUSA-N 1 1 328.372 0.699 20 30 ECEDMO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1C ZINC001104354025 734611586 /nfs/dbraw/zinc/61/15/86/734611586.db2.gz OXDQLRZWUJKLAK-ZACQAIPSSA-N 1 1 348.491 0.294 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cnnn3CC)C2)C1=O ZINC000971496119 734690151 /nfs/dbraw/zinc/69/01/51/734690151.db2.gz JVHLUEKWDCRTIL-KBPBESRZSA-N 1 1 346.435 0.231 20 30 ECEDMO C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971503353 734693317 /nfs/dbraw/zinc/69/33/17/734693317.db2.gz DQLQHCIJIJVLQZ-AWEZNQCLSA-N 1 1 346.431 0.263 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C)nn3)C2)C1=O ZINC000971522147 734709701 /nfs/dbraw/zinc/70/97/01/734709701.db2.gz IQEXNRCSGVMARN-GOEBONIOSA-N 1 1 343.431 0.718 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3nn(C)cc3C)C2)C1=O ZINC000971528629 734715232 /nfs/dbraw/zinc/71/52/32/734715232.db2.gz OBXAFCQPYJHHJE-CABCVRRESA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCCN1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221260 734798611 /nfs/dbraw/zinc/79/86/11/734798611.db2.gz SMVGKFQZBMSTSG-DLBZAZTESA-N 1 1 347.463 0.546 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC000971632741 734843197 /nfs/dbraw/zinc/84/31/97/734843197.db2.gz INKMXJBAKHABBM-VXGBXAGGSA-N 1 1 327.812 0.809 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC000971632741 734843198 /nfs/dbraw/zinc/84/31/98/734843198.db2.gz INKMXJBAKHABBM-VXGBXAGGSA-N 1 1 327.812 0.809 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC000971635256 734849937 /nfs/dbraw/zinc/84/99/37/734849937.db2.gz ZEWWOXXLORAFCY-UONOGXRCSA-N 1 1 343.855 0.767 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC000971635256 734849940 /nfs/dbraw/zinc/84/99/40/734849940.db2.gz ZEWWOXXLORAFCY-UONOGXRCSA-N 1 1 343.855 0.767 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000971655275 734891391 /nfs/dbraw/zinc/89/13/91/734891391.db2.gz VEEMDGAHSSNMEX-OAGGEKHMSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000971655275 734891393 /nfs/dbraw/zinc/89/13/93/734891393.db2.gz VEEMDGAHSSNMEX-OAGGEKHMSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCN1CC[C@H](N(C)[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC000971676594 734940858 /nfs/dbraw/zinc/94/08/58/734940858.db2.gz GBEYKZUTTCBUHY-CVEARBPZSA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC000971747245 735021776 /nfs/dbraw/zinc/02/17/76/735021776.db2.gz VDFLRGYBOYMZLZ-STQMWFEESA-N 1 1 347.419 0.357 20 30 ECEDMO CCN(CCNC(=O)[C@H]1C[N@H+](CC)CCO1)c1cnc(C#N)cn1 ZINC001100538647 735063871 /nfs/dbraw/zinc/06/38/71/735063871.db2.gz DDICPMAPRPQNIG-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO CCN(CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)c1cnc(C#N)cn1 ZINC001100538647 735063874 /nfs/dbraw/zinc/06/38/74/735063874.db2.gz DDICPMAPRPQNIG-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)Nc2nccnc2C#N)C1 ZINC001098214944 735196158 /nfs/dbraw/zinc/19/61/58/735196158.db2.gz CGOLYQRQINDJLK-OCCSQVGLSA-N 1 1 332.408 0.374 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(OC)nc3)[C@H]2C1 ZINC001083238824 735552897 /nfs/dbraw/zinc/55/28/97/735552897.db2.gz CYDBWUKWDVSMQC-LSDHHAIUSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC(C)CC2)CC1 ZINC001167523303 735565512 /nfs/dbraw/zinc/56/55/12/735565512.db2.gz XPZASUPNGHVCPU-UHFFFAOYSA-N 1 1 348.491 0.344 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972081172 735619845 /nfs/dbraw/zinc/61/98/45/735619845.db2.gz ZQTDLBKFVLFCEQ-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972081172 735619847 /nfs/dbraw/zinc/61/98/47/735619847.db2.gz ZQTDLBKFVLFCEQ-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3csc(COC)n3)[C@H]2C1 ZINC001083243894 735703465 /nfs/dbraw/zinc/70/34/65/735703465.db2.gz ZLTDTPWISZHRAJ-LSDHHAIUSA-N 1 1 349.456 0.767 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cnc(C)n3C)C2)C1=O ZINC000972177568 735758108 /nfs/dbraw/zinc/75/81/08/735758108.db2.gz QLNJGUWXEGEBRF-HUUCEWRRSA-N 1 1 345.447 0.662 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCO[C@]3(CCN(C(=O)CC(N)=O)C3)C2)c1 ZINC000972303136 735916332 /nfs/dbraw/zinc/91/63/32/735916332.db2.gz FLNIBPAUOOALAE-GOSISDBHSA-N 1 1 342.399 0.237 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCO[C@]3(CCN(C(=O)CC(N)=O)C3)C2)c1 ZINC000972303136 735916333 /nfs/dbraw/zinc/91/63/33/735916333.db2.gz FLNIBPAUOOALAE-GOSISDBHSA-N 1 1 342.399 0.237 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCN(C(=O)CC(N)=O)C3)C2)cc1 ZINC000972307059 735919814 /nfs/dbraw/zinc/91/98/14/735919814.db2.gz CAKQXXDHIGVCOE-SFHVURJKSA-N 1 1 342.399 0.237 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCN(C(=O)CC(N)=O)C3)C2)cc1 ZINC000972307059 735919817 /nfs/dbraw/zinc/91/98/17/735919817.db2.gz CAKQXXDHIGVCOE-SFHVURJKSA-N 1 1 342.399 0.237 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@]2(C1)C[N@H+](CCn1cccn1)CCO2 ZINC000972372484 736030547 /nfs/dbraw/zinc/03/05/47/736030547.db2.gz ACROQBHOJDZRMZ-GOSISDBHSA-N 1 1 328.416 0.600 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@]2(C1)C[N@@H+](CCn1cccn1)CCO2 ZINC000972372484 736030549 /nfs/dbraw/zinc/03/05/49/736030549.db2.gz ACROQBHOJDZRMZ-GOSISDBHSA-N 1 1 328.416 0.600 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)CC1 ZINC001098569371 736075150 /nfs/dbraw/zinc/07/51/50/736075150.db2.gz IDTCHQAPMSCEDG-SFHVURJKSA-N 1 1 349.475 0.016 20 30 ECEDMO C=C[C@@H](C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1)c1ccccc1 ZINC001098569450 736078182 /nfs/dbraw/zinc/07/81/82/736078182.db2.gz MYYTZLDOJDKVIU-QGZVFWFLSA-N 1 1 345.443 0.727 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001041966676 782508756 /nfs/dbraw/zinc/50/87/56/782508756.db2.gz RIWKYIIUSZUDDZ-GJZGRUSLSA-N 1 1 335.448 0.659 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)OCCOCC)CC1 ZINC001098570674 736122170 /nfs/dbraw/zinc/12/21/70/736122170.db2.gz GEMGLANDAMNVMB-MRXNPFEDSA-N 1 1 340.464 0.737 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)c3C)C2)C1 ZINC000972400328 736123809 /nfs/dbraw/zinc/12/38/09/736123809.db2.gz SRNCIRMCWLTGIM-IBGZPJMESA-N 1 1 344.459 0.988 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)c3C)C2)C1 ZINC000972400328 736123814 /nfs/dbraw/zinc/12/38/14/736123814.db2.gz SRNCIRMCWLTGIM-IBGZPJMESA-N 1 1 344.459 0.988 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C)nc3OC)C2)C1 ZINC000972404658 736133340 /nfs/dbraw/zinc/13/33/40/736133340.db2.gz GUGFABOASVOLTO-SFHVURJKSA-N 1 1 344.415 0.734 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C)nc3OC)C2)C1 ZINC000972404658 736133344 /nfs/dbraw/zinc/13/33/44/736133344.db2.gz GUGFABOASVOLTO-SFHVURJKSA-N 1 1 344.415 0.734 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972406966 736134525 /nfs/dbraw/zinc/13/45/25/736134525.db2.gz JAWUDRGLWMGVTC-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972406966 736134526 /nfs/dbraw/zinc/13/45/26/736134526.db2.gz JAWUDRGLWMGVTC-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 ZINC000972406154 736139435 /nfs/dbraw/zinc/13/94/35/736139435.db2.gz ZRIFCNIFIXZYHF-SFHVURJKSA-N 1 1 345.447 0.973 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 ZINC000972406154 736139436 /nfs/dbraw/zinc/13/94/36/736139436.db2.gz ZRIFCNIFIXZYHF-SFHVURJKSA-N 1 1 345.447 0.973 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972410305 736143495 /nfs/dbraw/zinc/14/34/95/736143495.db2.gz ULDCPBXEEPPTLY-RDTXWAMCSA-N 1 1 349.431 0.403 20 30 ECEDMO C=C(C)CC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)CC)CC1 ZINC001098571164 736157256 /nfs/dbraw/zinc/15/72/56/736157256.db2.gz NYXRSULOUZRWHF-UHFFFAOYSA-N 1 1 346.493 0.673 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001041972525 782518964 /nfs/dbraw/zinc/51/89/64/782518964.db2.gz AAPLRUKLLQXKPU-HUUCEWRRSA-N 1 1 335.448 0.659 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc(OC)n3)C2)C1 ZINC000972461567 736258799 /nfs/dbraw/zinc/25/87/99/736258799.db2.gz UXUHTJMCHOPYAK-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc(OC)n3)C2)C1 ZINC000972461567 736258801 /nfs/dbraw/zinc/25/88/01/736258801.db2.gz UXUHTJMCHOPYAK-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972479524 736302302 /nfs/dbraw/zinc/30/23/02/736302302.db2.gz BOANDMUOUPPXSD-FUHWJXTLSA-N 1 1 348.447 0.987 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 ZINC000972495156 736395534 /nfs/dbraw/zinc/39/55/34/736395534.db2.gz XUWZXSJYUWORNL-CRAIPNDOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccnn3C)C2)nn1 ZINC000972502051 736430066 /nfs/dbraw/zinc/43/00/66/736430066.db2.gz UFBBOYYISHCNKB-ZDUSSCGKSA-N 1 1 329.408 0.544 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccnn3C)C2)nn1 ZINC000972502051 736430068 /nfs/dbraw/zinc/43/00/68/736430068.db2.gz UFBBOYYISHCNKB-ZDUSSCGKSA-N 1 1 329.408 0.544 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)COCCOCC)CC1 ZINC001098575518 736504669 /nfs/dbraw/zinc/50/46/69/736504669.db2.gz SNCOFAKDOBNMBJ-UHFFFAOYSA-N 1 1 328.453 0.901 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NCc3cnns3)C2)CC1 ZINC001023127827 736523046 /nfs/dbraw/zinc/52/30/46/736523046.db2.gz FMGOERHMPDZHMX-OKILXGFUSA-N 1 1 333.461 0.620 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCCO)CCO3)c1 ZINC000972545823 736662928 /nfs/dbraw/zinc/66/29/28/736662928.db2.gz KPIXOEGBRXHKRH-SFHVURJKSA-N 1 1 329.400 0.362 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCCO)CCO3)c1 ZINC000972545823 736662929 /nfs/dbraw/zinc/66/29/29/736662929.db2.gz KPIXOEGBRXHKRH-SFHVURJKSA-N 1 1 329.400 0.362 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001023308451 736666197 /nfs/dbraw/zinc/66/61/97/736666197.db2.gz QIGQYULEOGJMAE-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023309164 736667221 /nfs/dbraw/zinc/66/72/21/736667221.db2.gz ZMJROAIYJDMSSP-STQMWFEESA-N 1 1 331.420 0.805 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@@H](C)O)CCO3)c1 ZINC000972547179 736667821 /nfs/dbraw/zinc/66/78/21/736667821.db2.gz WUYKFFOOXSOREB-KDOFPFPSSA-N 1 1 329.400 0.361 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@@H](C)O)CCO3)c1 ZINC000972547179 736667824 /nfs/dbraw/zinc/66/78/24/736667824.db2.gz WUYKFFOOXSOREB-KDOFPFPSSA-N 1 1 329.400 0.361 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023314215 736671747 /nfs/dbraw/zinc/67/17/47/736671747.db2.gz IQDXGAGMCVTYCI-GFCCVEGCSA-N 1 1 338.433 0.373 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023314215 736671752 /nfs/dbraw/zinc/67/17/52/736671752.db2.gz IQDXGAGMCVTYCI-GFCCVEGCSA-N 1 1 338.433 0.373 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC000972553949 736724509 /nfs/dbraw/zinc/72/45/09/736724509.db2.gz LSCFMIWDIFHJNZ-RVKKMQEKSA-N 1 1 335.448 0.767 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC000972553949 736724514 /nfs/dbraw/zinc/72/45/14/736724514.db2.gz LSCFMIWDIFHJNZ-RVKKMQEKSA-N 1 1 335.448 0.767 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001023405101 736788930 /nfs/dbraw/zinc/78/89/30/736788930.db2.gz ZTSAJQGHNSUQRD-HOTGVXAUSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2nnc(C)o2)C1 ZINC001023423626 736806166 /nfs/dbraw/zinc/80/61/66/736806166.db2.gz BENLQVYEADLGRM-CVEARBPZSA-N 1 1 345.447 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2nnc(C)o2)C1 ZINC001023423626 736806167 /nfs/dbraw/zinc/80/61/67/736806167.db2.gz BENLQVYEADLGRM-CVEARBPZSA-N 1 1 345.447 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2nc(C)no2)C1 ZINC001023423620 736806201 /nfs/dbraw/zinc/80/62/01/736806201.db2.gz BABSUNSMJRSARX-CVEARBPZSA-N 1 1 345.447 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2nc(C)no2)C1 ZINC001023423620 736806202 /nfs/dbraw/zinc/80/62/02/736806202.db2.gz BABSUNSMJRSARX-CVEARBPZSA-N 1 1 345.447 0.804 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001023445053 736842033 /nfs/dbraw/zinc/84/20/33/736842033.db2.gz DZKLORQLIZJJBJ-CYBMUJFWSA-N 1 1 332.404 0.959 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023448563 736852306 /nfs/dbraw/zinc/85/23/06/736852306.db2.gz RXWXVZUBWHLICM-UONOGXRCSA-N 1 1 333.436 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001067461609 736872553 /nfs/dbraw/zinc/87/25/53/736872553.db2.gz FCNMJPNEYSSRNP-MRXNPFEDSA-N 1 1 342.443 0.935 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001023507993 736933086 /nfs/dbraw/zinc/93/30/86/736933086.db2.gz FRAZOBMNROFQIL-IXDOHACOSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3csnn3)C2)C1=O ZINC001023512138 736939114 /nfs/dbraw/zinc/93/91/14/736939114.db2.gz GZELUSWKWOYJMZ-JSGCOSHPSA-N 1 1 349.460 0.767 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CC=C)nn3)C2)C1 ZINC000972584996 736965713 /nfs/dbraw/zinc/96/57/13/736965713.db2.gz DYMCICPRGOWCLL-KRWDZBQOSA-N 1 1 331.420 0.957 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCOC)CCO2 ZINC000972596747 737033989 /nfs/dbraw/zinc/03/39/89/737033989.db2.gz OJDGOWSQDVFHLC-XYJFISCASA-N 1 1 338.448 0.917 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCOC)CCO2 ZINC000972596747 737033993 /nfs/dbraw/zinc/03/39/93/737033993.db2.gz OJDGOWSQDVFHLC-XYJFISCASA-N 1 1 338.448 0.917 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1=O ZINC000972618545 737109866 /nfs/dbraw/zinc/10/98/66/737109866.db2.gz JRJYCNNLJVDLIA-UONOGXRCSA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001023638158 737125123 /nfs/dbraw/zinc/12/51/23/737125123.db2.gz YOFAYPWJUADMIG-OCCSQVGLSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001023640108 737126001 /nfs/dbraw/zinc/12/60/01/737126001.db2.gz WJGQMVBSDQUQLB-KGLIPLIRSA-N 1 1 348.451 0.431 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972628115 737152023 /nfs/dbraw/zinc/15/20/23/737152023.db2.gz OAAGQCWWMHMHBX-KRWDZBQOSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972628115 737152026 /nfs/dbraw/zinc/15/20/26/737152026.db2.gz OAAGQCWWMHMHBX-KRWDZBQOSA-N 1 1 330.388 0.425 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC001023710812 737218500 /nfs/dbraw/zinc/21/85/00/737218500.db2.gz RJDPMYGKXFYURA-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023753378 737299128 /nfs/dbraw/zinc/29/91/28/737299128.db2.gz DVEISIDWMCJGGN-NEPJUHHUSA-N 1 1 335.857 0.259 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023753378 737299130 /nfs/dbraw/zinc/29/91/30/737299130.db2.gz DVEISIDWMCJGGN-NEPJUHHUSA-N 1 1 335.857 0.259 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3nocc3C)C2)C1=O ZINC000972675798 737349282 /nfs/dbraw/zinc/34/92/82/737349282.db2.gz GEIQYVCKPVGRNY-UONOGXRCSA-N 1 1 332.404 0.916 20 30 ECEDMO C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)CCCC(N)=O)CC1 ZINC001098582333 737351905 /nfs/dbraw/zinc/35/19/05/737351905.db2.gz PQHPUGDIAHJPST-UHFFFAOYSA-N 1 1 331.844 0.680 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001023858198 737443673 /nfs/dbraw/zinc/44/36/73/737443673.db2.gz JOINRXNEIMHXKM-KBPBESRZSA-N 1 1 331.420 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCCNC3=O)C2)cn1 ZINC000972756936 737598079 /nfs/dbraw/zinc/59/80/79/737598079.db2.gz QAXKDIRDHQGEAA-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972759791 737603105 /nfs/dbraw/zinc/60/31/05/737603105.db2.gz MWOONYNLIYRBSR-CVEARBPZSA-N 1 1 326.400 0.870 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972759791 737603108 /nfs/dbraw/zinc/60/31/08/737603108.db2.gz MWOONYNLIYRBSR-CVEARBPZSA-N 1 1 326.400 0.870 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972762977 737605151 /nfs/dbraw/zinc/60/51/51/737605151.db2.gz BZAIZTGHCUPXQX-CVEARBPZSA-N 1 1 326.400 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)C(C)C)CCOCC1 ZINC001069995218 790290660 /nfs/dbraw/zinc/29/06/60/790290660.db2.gz RRZTWQMNFBGJAY-HNNXBMFYSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)C(C)C)CCOCC1 ZINC001069995218 790290664 /nfs/dbraw/zinc/29/06/64/790290664.db2.gz RRZTWQMNFBGJAY-HNNXBMFYSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ccnn2C)C1=O ZINC001024360741 737913783 /nfs/dbraw/zinc/91/37/83/737913783.db2.gz WFNYSYCLHSLFIX-ZBFHGGJFSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ccnn2C)C1=O ZINC001024360741 737913784 /nfs/dbraw/zinc/91/37/84/737913784.db2.gz WFNYSYCLHSLFIX-ZBFHGGJFSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cncnc2)C1=O ZINC001024407908 737945681 /nfs/dbraw/zinc/94/56/81/737945681.db2.gz SZPNMKFCVUTNOG-CVEARBPZSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cncnc2)C1=O ZINC001024407908 737945682 /nfs/dbraw/zinc/94/56/82/737945682.db2.gz SZPNMKFCVUTNOG-CVEARBPZSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccncc2)C1 ZINC000972899106 737991508 /nfs/dbraw/zinc/99/15/08/737991508.db2.gz NMPCQLUIXQBMPK-JYJNAYRXSA-N 1 1 326.400 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccncc2)C1 ZINC000972899106 737991511 /nfs/dbraw/zinc/99/15/11/737991511.db2.gz NMPCQLUIXQBMPK-JYJNAYRXSA-N 1 1 326.400 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC(=O)NC1CC1 ZINC001024487473 738014493 /nfs/dbraw/zinc/01/44/93/738014493.db2.gz PQUMEHZWMDDSRD-SJORKVTESA-N 1 1 346.475 0.333 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC(=O)NC1CC1 ZINC001024487473 738014496 /nfs/dbraw/zinc/01/44/96/738014496.db2.gz PQUMEHZWMDDSRD-SJORKVTESA-N 1 1 346.475 0.333 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cc(CC)n(C)n2)CC1 ZINC001098586892 738054201 /nfs/dbraw/zinc/05/42/01/738054201.db2.gz PLRNMYQXOXUDSE-UHFFFAOYSA-N 1 1 332.448 0.905 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)[C@H]21 ZINC001087279969 738080422 /nfs/dbraw/zinc/08/04/22/738080422.db2.gz HISUNFVTKHGAQW-WQVCFCJDSA-N 1 1 343.431 0.851 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001024542561 738084071 /nfs/dbraw/zinc/08/40/71/738084071.db2.gz YIXOLTWGSJILJO-OAHLLOKOSA-N 1 1 346.431 0.497 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CN=NC3=O)C(C)(C)[C@H]21 ZINC001087281935 738096451 /nfs/dbraw/zinc/09/64/51/738096451.db2.gz ONBBKZUFBZFFIY-SNPRPXQTSA-N 1 1 331.420 0.612 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CN=NC3=O)C(C)(C)[C@H]21 ZINC001087282321 738098735 /nfs/dbraw/zinc/09/87/35/738098735.db2.gz WLPFPVXMGZCMOC-YUELXQCFSA-N 1 1 331.420 0.612 20 30 ECEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001024567915 738116404 /nfs/dbraw/zinc/11/64/04/738116404.db2.gz MUCYMVZMRTWBCD-HIFRSBDPSA-N 1 1 331.420 0.912 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CS(=O)(=O)C1 ZINC001087287457 738118587 /nfs/dbraw/zinc/11/85/87/738118587.db2.gz IBXCHDZIPGOHNL-QLFBSQMISA-N 1 1 338.473 0.660 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CS(=O)(=O)C1 ZINC001087287457 738118590 /nfs/dbraw/zinc/11/85/90/738118590.db2.gz IBXCHDZIPGOHNL-QLFBSQMISA-N 1 1 338.473 0.660 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@@H]21 ZINC001087292381 738133289 /nfs/dbraw/zinc/13/32/89/738133289.db2.gz KHGWXUVLNSXOGR-FVQBIDKESA-N 1 1 345.447 0.210 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@@H]21 ZINC001087291945 738133557 /nfs/dbraw/zinc/13/35/57/738133557.db2.gz CROZCWJZSFZFPA-FVQBIDKESA-N 1 1 345.447 0.210 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1 ZINC001024627198 738179870 /nfs/dbraw/zinc/17/98/70/738179870.db2.gz JXVFDNDOPALZOE-JKSUJKDBSA-N 1 1 341.415 0.710 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087309006 738234849 /nfs/dbraw/zinc/23/48/49/738234849.db2.gz YTRYTFBSWFQFNL-KCXAZCMYSA-N 1 1 348.447 0.720 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@@H]21 ZINC001087309005 738234857 /nfs/dbraw/zinc/23/48/57/738234857.db2.gz YTRYTFBSWFQFNL-DAXOMENPSA-N 1 1 348.447 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nccn2CC)C1 ZINC000973220527 738928635 /nfs/dbraw/zinc/92/86/35/738928635.db2.gz XESGKHPKOBPTAU-KKUMJFAQSA-N 1 1 343.431 0.378 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nccn2CC)C1 ZINC000973220527 738928637 /nfs/dbraw/zinc/92/86/37/738928637.db2.gz XESGKHPKOBPTAU-KKUMJFAQSA-N 1 1 343.431 0.378 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)sn2)C1 ZINC000973220730 738933041 /nfs/dbraw/zinc/93/30/41/738933041.db2.gz RFXRYJWPVOSLQI-YDHLFZDLSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)sn2)C1 ZINC000973220730 738933042 /nfs/dbraw/zinc/93/30/42/738933042.db2.gz RFXRYJWPVOSLQI-YDHLFZDLSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CC(OCC)C2)C1 ZINC000973230893 738946858 /nfs/dbraw/zinc/94/68/58/738946858.db2.gz PEEIUNFKHNKIOJ-QDZBGDLPSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CC(OCC)C2)C1 ZINC000973230893 738946861 /nfs/dbraw/zinc/94/68/61/738946861.db2.gz PEEIUNFKHNKIOJ-QDZBGDLPSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC)cc1 ZINC001028183164 751401620 /nfs/dbraw/zinc/40/16/20/751401620.db2.gz NVIGBHARMILNOR-OAHLLOKOSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC)cc1 ZINC001028183164 751401622 /nfs/dbraw/zinc/40/16/22/751401622.db2.gz NVIGBHARMILNOR-OAHLLOKOSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001025276177 738996831 /nfs/dbraw/zinc/99/68/31/738996831.db2.gz GVZKTNJMZRZSHX-CABCVRRESA-N 1 1 331.416 0.518 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cn3ccc(C)n3)CC2)C1=O ZINC000981981327 751405491 /nfs/dbraw/zinc/40/54/91/751405491.db2.gz BRPHBHJCJURETG-INIZCTEOSA-N 1 1 345.447 0.513 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cn3ccc(C)n3)CC2)C1=O ZINC000981981327 751405494 /nfs/dbraw/zinc/40/54/94/751405494.db2.gz BRPHBHJCJURETG-INIZCTEOSA-N 1 1 345.447 0.513 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC000973285345 739048392 /nfs/dbraw/zinc/04/83/92/739048392.db2.gz QBBWQGDDRQBNFQ-SYQHCUMBSA-N 1 1 346.435 0.039 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)cn2)C1 ZINC001104580279 739090855 /nfs/dbraw/zinc/09/08/55/739090855.db2.gz YZIBASZEXDTZML-ZFWWWQNUSA-N 1 1 331.420 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)cn2)C1 ZINC001104580279 739090858 /nfs/dbraw/zinc/09/08/58/739090858.db2.gz YZIBASZEXDTZML-ZFWWWQNUSA-N 1 1 331.420 0.933 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001083279790 739106160 /nfs/dbraw/zinc/10/61/60/739106160.db2.gz PRAZZQSWXDFGOB-LSDHHAIUSA-N 1 1 345.447 0.723 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCN(CC)C2=O)nn1 ZINC001028187086 751418379 /nfs/dbraw/zinc/41/83/79/751418379.db2.gz BQXYASCFFLPHOX-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCN(CC)C2=O)nn1 ZINC001028187086 751418382 /nfs/dbraw/zinc/41/83/82/751418382.db2.gz BQXYASCFFLPHOX-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC000973410356 739223471 /nfs/dbraw/zinc/22/34/71/739223471.db2.gz GLMYBBFWWCENDY-GVXVVHGQSA-N 1 1 348.428 0.323 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC000973410356 739223473 /nfs/dbraw/zinc/22/34/73/739223473.db2.gz GLMYBBFWWCENDY-GVXVVHGQSA-N 1 1 348.428 0.323 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2csnn2)C1 ZINC000973410855 739225032 /nfs/dbraw/zinc/22/50/32/739225032.db2.gz YIPARIPXCZYUDN-GVXVVHGQSA-N 1 1 333.417 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2csnn2)C1 ZINC000973410855 739225036 /nfs/dbraw/zinc/22/50/36/739225036.db2.gz YIPARIPXCZYUDN-GVXVVHGQSA-N 1 1 333.417 0.013 20 30 ECEDMO C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104623310 739257461 /nfs/dbraw/zinc/25/74/61/739257461.db2.gz YHIVGFHWBRCMRK-ZDUSSCGKSA-N 1 1 332.408 0.329 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001025391521 739366471 /nfs/dbraw/zinc/36/64/71/739366471.db2.gz SEAQWHRHVVBQJZ-QWHCGFSZSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(CC)CCO3)[C@H]2C1 ZINC001083280806 739436143 /nfs/dbraw/zinc/43/61/43/739436143.db2.gz HPGHGJANQGJFIF-BBWFWOEESA-N 1 1 337.464 0.585 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC23CCN(c2ccnc(C#N)n2)CC3)C1 ZINC001058636293 739539941 /nfs/dbraw/zinc/53/99/41/739539941.db2.gz CRPTUYCOFAVPIF-UONOGXRCSA-N 1 1 340.431 0.775 20 30 ECEDMO C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001104728569 739555235 /nfs/dbraw/zinc/55/52/35/739555235.db2.gz UFGSRGZUAYRHAU-LLVKDONJSA-N 1 1 343.391 0.970 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001025545963 739707151 /nfs/dbraw/zinc/70/71/51/739707151.db2.gz NIZFLUALPKTKBM-STQMWFEESA-N 1 1 334.420 0.100 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025614544 739777032 /nfs/dbraw/zinc/77/70/32/739777032.db2.gz LRLJOWNIVDOZFV-STQMWFEESA-N 1 1 329.404 0.429 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025618261 739780999 /nfs/dbraw/zinc/78/09/99/739780999.db2.gz KFTDYDNAZKJTOS-STQMWFEESA-N 1 1 332.404 0.340 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N1CCC1)C2 ZINC000982023566 751487507 /nfs/dbraw/zinc/48/75/07/751487507.db2.gz MKLQFHNINOSFKP-CVEARBPZSA-N 1 1 347.459 0.734 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)N1CCC1)C2 ZINC000982023566 751487510 /nfs/dbraw/zinc/48/75/10/751487510.db2.gz MKLQFHNINOSFKP-CVEARBPZSA-N 1 1 347.459 0.734 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058658808 739901441 /nfs/dbraw/zinc/90/14/41/739901441.db2.gz MAWSIYXUSRUOKS-CABCVRRESA-N 1 1 338.452 0.346 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4C[C@]45CCOC5)C[C@H]32)c[nH]1 ZINC001025745501 739913908 /nfs/dbraw/zinc/91/39/08/739913908.db2.gz POCUWLIHKIWHOC-DXFIHEEPSA-N 1 1 326.400 0.973 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCCS(N)(=O)=O)C1 ZINC001112031540 739917682 /nfs/dbraw/zinc/91/76/82/739917682.db2.gz PFGYVNGFHXHFRG-HOCLYGCPSA-N 1 1 341.477 0.439 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025790830 739953740 /nfs/dbraw/zinc/95/37/40/739953740.db2.gz UJNLIDAZLJZBPV-RDGWLKQMSA-N 1 1 333.432 0.293 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001025791550 739954780 /nfs/dbraw/zinc/95/47/80/739954780.db2.gz YIFCPJFOTOMTSE-ODICJLLRSA-N 1 1 335.448 0.491 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CCC2)C1 ZINC001111777344 740012592 /nfs/dbraw/zinc/01/25/92/740012592.db2.gz AODFWRXDTFFMBY-CYBMUJFWSA-N 1 1 330.392 0.130 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CCC2)C1 ZINC001111777344 740012598 /nfs/dbraw/zinc/01/25/98/740012598.db2.gz AODFWRXDTFFMBY-CYBMUJFWSA-N 1 1 330.392 0.130 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)C1 ZINC001070006065 790305802 /nfs/dbraw/zinc/30/58/02/790305802.db2.gz BGZBUDJNTCEDKA-OAGGEKHMSA-N 1 1 345.451 0.265 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C)nn1 ZINC000988061419 751510755 /nfs/dbraw/zinc/51/07/55/751510755.db2.gz KUFNSQVGDKXJBN-VNHYZAJKSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(OC)cn2)[C@@H](n2ccnn2)C1 ZINC001070007977 790310249 /nfs/dbraw/zinc/31/02/49/790310249.db2.gz KLHGPFADZNFPQO-CVEARBPZSA-N 1 1 342.403 0.452 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(OC)cn2)[C@@H](n2ccnn2)C1 ZINC001070007977 790310255 /nfs/dbraw/zinc/31/02/55/790310255.db2.gz KLHGPFADZNFPQO-CVEARBPZSA-N 1 1 342.403 0.452 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001068464016 790321268 /nfs/dbraw/zinc/32/12/68/790321268.db2.gz UJOHDDZMMSYIJX-GJZGRUSLSA-N 1 1 335.448 0.590 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)c2cn(CCC)nn2)CC1 ZINC001098516137 751515015 /nfs/dbraw/zinc/51/50/15/751515015.db2.gz PWTIVJCSBZUDTL-UHFFFAOYSA-N 1 1 333.436 0.610 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@@H]2C(N)=O)cc1 ZINC001025937506 740266079 /nfs/dbraw/zinc/26/60/79/740266079.db2.gz NJMGGBBAKKGMLP-SMLCLMEVSA-N 1 1 338.411 0.616 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCO[C@@H](C)C4)C[C@H]32)nn1 ZINC001026094175 740369953 /nfs/dbraw/zinc/36/99/53/740369953.db2.gz JGPBNQUZHDPOPY-NBFUAULTSA-N 1 1 345.447 0.939 20 30 ECEDMO CN(C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cncc(C#N)n1 ZINC001058690325 740473451 /nfs/dbraw/zinc/47/34/51/740473451.db2.gz HHROSSLKMZYNMP-GJZGRUSLSA-N 1 1 342.447 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cccc(C)n2)C1 ZINC000973886784 740542968 /nfs/dbraw/zinc/54/29/68/740542968.db2.gz FIUXRPLFFGPFCT-UXLLHSPISA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cccc(C)n2)C1 ZINC000973886784 740542971 /nfs/dbraw/zinc/54/29/71/740542971.db2.gz FIUXRPLFFGPFCT-UXLLHSPISA-N 1 1 340.427 0.865 20 30 ECEDMO CN(CCCN(C)c1ccncc1C#N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001112055699 740667838 /nfs/dbraw/zinc/66/78/38/740667838.db2.gz SZSIXXVMQIAULN-MRXNPFEDSA-N 1 1 331.420 0.569 20 30 ECEDMO CN(CCCN(C)c1ccncc1C#N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001112055699 740667839 /nfs/dbraw/zinc/66/78/39/740667839.db2.gz SZSIXXVMQIAULN-MRXNPFEDSA-N 1 1 331.420 0.569 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973994178 740741628 /nfs/dbraw/zinc/74/16/28/740741628.db2.gz FYZRMJQDMJUEQQ-ZZVYKPCYSA-N 1 1 329.404 0.461 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000973995673 740748054 /nfs/dbraw/zinc/74/80/54/740748054.db2.gz YIDUJSJEECPKAJ-FPMFFAJLSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(C#N)nn1 ZINC001104862973 740753943 /nfs/dbraw/zinc/75/39/43/740753943.db2.gz VABCTZYXYRNMKE-HIFRSBDPSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(C#N)nn1 ZINC001104862973 740753946 /nfs/dbraw/zinc/75/39/46/740753946.db2.gz VABCTZYXYRNMKE-HIFRSBDPSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC000982107250 751599707 /nfs/dbraw/zinc/59/97/07/751599707.db2.gz GKILWDNDNGNMDU-HNNXBMFYSA-N 1 1 343.431 0.801 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H](CNc1ccnc(C#N)n1)CC(C)C ZINC001104974452 741073186 /nfs/dbraw/zinc/07/31/86/741073186.db2.gz PWMHQOIKMBAUAQ-AWEZNQCLSA-N 1 1 341.419 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC000974235179 741151180 /nfs/dbraw/zinc/15/11/80/741151180.db2.gz XLKKPDQWGNOFQE-BJWPUDQFSA-N 1 1 333.432 0.272 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC000974235179 741151181 /nfs/dbraw/zinc/15/11/81/741151181.db2.gz XLKKPDQWGNOFQE-BJWPUDQFSA-N 1 1 333.432 0.272 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H](CC)C(N)=O)C3)cn1 ZINC000982123721 751618626 /nfs/dbraw/zinc/61/86/26/751618626.db2.gz MJDWPGZFLUOGBC-INIZCTEOSA-N 1 1 340.427 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nc1 ZINC000974344917 741362418 /nfs/dbraw/zinc/36/24/18/741362418.db2.gz ZTXUYQWYSRWLSI-BMFZPTHFSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)n3cccn3)C2)nn1 ZINC001098618447 741389070 /nfs/dbraw/zinc/38/90/70/741389070.db2.gz BECPMMAKPFXYNL-HIFRSBDPSA-N 1 1 329.408 0.785 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC000982139399 751633185 /nfs/dbraw/zinc/63/31/85/751633185.db2.gz VLYVSERKIOYLSL-UHFFFAOYSA-N 1 1 348.447 0.817 20 30 ECEDMO CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001105207474 741474163 /nfs/dbraw/zinc/47/41/63/741474163.db2.gz VSDJAGBBYPQGAT-UHFFFAOYSA-N 1 1 343.391 0.301 20 30 ECEDMO C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235925 741528421 /nfs/dbraw/zinc/52/84/21/741528421.db2.gz ZYHCOSGAXSVQDN-ZIAGYGMSSA-N 1 1 334.380 0.382 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(Cl)cnn3C)C2)nn1 ZINC001105240351 741530837 /nfs/dbraw/zinc/53/08/37/741530837.db2.gz JJFOOSGJGPFWBH-UHFFFAOYSA-N 1 1 335.799 0.638 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC000982135317 751648241 /nfs/dbraw/zinc/64/82/41/751648241.db2.gz BYKUGPMLNKJYIS-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nnn3CC)C2)nn1 ZINC001105256644 741571749 /nfs/dbraw/zinc/57/17/49/741571749.db2.gz LRWJVPQQCZAFFD-UHFFFAOYSA-N 1 1 344.423 0.561 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4ncccc34)C2)nn1 ZINC001105259708 741579409 /nfs/dbraw/zinc/57/94/09/741579409.db2.gz JDXJGROVOBTJSA-UHFFFAOYSA-N 1 1 338.375 0.294 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc4n(n3)CCO4)C2)nn1 ZINC001105259643 741581742 /nfs/dbraw/zinc/58/17/42/741581742.db2.gz GSBMZOQVUBCOQX-UHFFFAOYSA-N 1 1 343.391 0.230 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)nn1 ZINC001105260046 741583667 /nfs/dbraw/zinc/58/36/67/741583667.db2.gz YHLPJGOZBHMTTD-AWEZNQCLSA-N 1 1 340.391 0.049 20 30 ECEDMO C#CCC1(C(=O)N2CC(n3cc(C[NH2+][C@H](C)COC)nn3)C2)CCC1 ZINC001105259757 741586021 /nfs/dbraw/zinc/58/60/21/741586021.db2.gz LJCNBHHPPUPTIQ-CQSZACIVSA-N 1 1 345.447 0.980 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001105259864 741586354 /nfs/dbraw/zinc/58/63/54/741586354.db2.gz PNCLGKGYKGSPHA-UHFFFAOYSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268362 741610210 /nfs/dbraw/zinc/61/02/10/741610210.db2.gz LCOLNSUHQABJCO-INIZCTEOSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001105268362 741610211 /nfs/dbraw/zinc/61/02/11/741610211.db2.gz LCOLNSUHQABJCO-INIZCTEOSA-N 1 1 330.436 0.259 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)nn1 ZINC001105268735 741612059 /nfs/dbraw/zinc/61/20/59/741612059.db2.gz XERDJTMQNJAOIV-GOEBONIOSA-N 1 1 343.435 0.291 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(OCC)n3)C2)nn1 ZINC001105276200 741628876 /nfs/dbraw/zinc/62/88/76/741628876.db2.gz BXLIYLWOAWXVBU-UHFFFAOYSA-N 1 1 332.364 0.638 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(=O)c(OC)co3)C2)nn1 ZINC001105280998 741639539 /nfs/dbraw/zinc/63/95/39/741639539.db2.gz PDCVQWOEURMEGJ-UHFFFAOYSA-N 1 1 345.359 0.213 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N[C@@H](CC)C3)C2)nn1 ZINC001105290823 741652498 /nfs/dbraw/zinc/65/24/98/741652498.db2.gz YXBBOMIVWHCJGB-OLZOCXBDSA-N 1 1 346.435 0.242 20 30 ECEDMO C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)c3[nH]nnc3C)C2)nn1 ZINC001105294978 741666773 /nfs/dbraw/zinc/66/67/73/741666773.db2.gz RYSAYPLITMESER-UHFFFAOYSA-N 1 1 330.396 0.458 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1cncc(C#N)n1 ZINC001105302666 741696422 /nfs/dbraw/zinc/69/64/22/741696422.db2.gz QXBAIRKKWNQREQ-BPLDGKMQSA-N 1 1 346.435 0.620 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1cncc(C#N)n1 ZINC001105302666 741696426 /nfs/dbraw/zinc/69/64/26/741696426.db2.gz QXBAIRKKWNQREQ-BPLDGKMQSA-N 1 1 346.435 0.620 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)Nc1ccnc(C#N)n1 ZINC001105303660 741698944 /nfs/dbraw/zinc/69/89/44/741698944.db2.gz HSERHKFXVDOSIH-UONOGXRCSA-N 1 1 330.436 0.807 20 30 ECEDMO CN(C)c1noc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001026759693 741776660 /nfs/dbraw/zinc/77/66/60/741776660.db2.gz MGYUCDFKYQLEGL-NSHDSACASA-N 1 1 343.391 0.587 20 30 ECEDMO CN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974472442 741778209 /nfs/dbraw/zinc/77/82/09/741778209.db2.gz MSIXTPYDAMSMLF-KBPBESRZSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974472442 741778212 /nfs/dbraw/zinc/77/82/12/741778212.db2.gz MSIXTPYDAMSMLF-KBPBESRZSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCOC[C@H]3C)C2)nn1 ZINC001105322120 741783928 /nfs/dbraw/zinc/78/39/28/741783928.db2.gz ALKJMCWBVLQVED-CJNGLKHVSA-N 1 1 333.436 1.000 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000982167986 751671922 /nfs/dbraw/zinc/67/19/22/751671922.db2.gz YIJMIAHTEMDUPX-UHFFFAOYSA-N 1 1 326.400 0.742 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)cc1 ZINC001006685873 751672297 /nfs/dbraw/zinc/67/22/97/751672297.db2.gz QZBXXINSHFFAAT-OAHLLOKOSA-N 1 1 325.376 0.326 20 30 ECEDMO CN(C)c1noc(C[NH2+]C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001026795046 741840834 /nfs/dbraw/zinc/84/08/34/741840834.db2.gz XUZOEVNAHFMNRF-NSHDSACASA-N 1 1 343.391 0.587 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+]([C@H]2CCN(C)C2=O)CC1 ZINC000982179004 751678278 /nfs/dbraw/zinc/67/82/78/751678278.db2.gz LNBIKECQDCRLCO-JYJNAYRXSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+]([C@H]2CCN(C)C2=O)CC1 ZINC000982179004 751678284 /nfs/dbraw/zinc/67/82/84/751678284.db2.gz LNBIKECQDCRLCO-JYJNAYRXSA-N 1 1 335.448 0.733 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000974581210 741919105 /nfs/dbraw/zinc/91/91/05/741919105.db2.gz NVAAVOZPWJNMGR-BRWVUGGUSA-N 1 1 329.444 0.801 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974586667 741923282 /nfs/dbraw/zinc/92/32/82/741923282.db2.gz WSIIFRWIRGWBIO-ZFWWWQNUSA-N 1 1 343.431 0.613 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)C(C)(C)C1 ZINC000974665322 741980118 /nfs/dbraw/zinc/98/01/18/741980118.db2.gz OUZLJHNZQSOEKX-OLZOCXBDSA-N 1 1 332.452 0.991 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)C(C)(C)C1 ZINC000974665322 741980120 /nfs/dbraw/zinc/98/01/20/741980120.db2.gz OUZLJHNZQSOEKX-OLZOCXBDSA-N 1 1 332.452 0.991 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974767399 742157826 /nfs/dbraw/zinc/15/78/26/742157826.db2.gz OKAHTCSRKXFWQF-LBPRGKRZSA-N 1 1 339.417 0.391 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974767399 742157829 /nfs/dbraw/zinc/15/78/29/742157829.db2.gz OKAHTCSRKXFWQF-LBPRGKRZSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C(C)(C)C1 ZINC000974767629 742158146 /nfs/dbraw/zinc/15/81/46/742158146.db2.gz PNDXEKCFWCQHNB-ZDUSSCGKSA-N 1 1 328.376 0.393 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000974800001 742202985 /nfs/dbraw/zinc/20/29/85/742202985.db2.gz UALHWWXUUVLERB-KBPBESRZSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000974800001 742202988 /nfs/dbraw/zinc/20/29/88/742202988.db2.gz UALHWWXUUVLERB-KBPBESRZSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000974865908 742272425 /nfs/dbraw/zinc/27/24/25/742272425.db2.gz XSISRGOQGMUAEH-HNNXBMFYSA-N 1 1 339.403 0.521 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@H]3CCNC3=O)CC2(C)C)cc1 ZINC000974928039 742369276 /nfs/dbraw/zinc/36/92/76/742369276.db2.gz AYNQFEQLQAENDI-HOTGVXAUSA-N 1 1 325.412 0.997 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCNC3=O)CC2(C)C)cc1 ZINC000974928039 742369279 /nfs/dbraw/zinc/36/92/79/742369279.db2.gz AYNQFEQLQAENDI-HOTGVXAUSA-N 1 1 325.412 0.997 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C(C)(C)C1 ZINC000974979878 742400907 /nfs/dbraw/zinc/40/09/07/742400907.db2.gz DEUHHFLKSSDPTK-BBRMVZONSA-N 1 1 329.448 0.770 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C(C)(C)C1 ZINC000974979885 742402802 /nfs/dbraw/zinc/40/28/02/742402802.db2.gz DEUHHFLKSSDPTK-CZUORRHYSA-N 1 1 329.448 0.770 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105337172 742441838 /nfs/dbraw/zinc/44/18/38/742441838.db2.gz USYVHLGAULDORE-INIZCTEOSA-N 1 1 345.451 0.537 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1 ZINC000975031004 742462714 /nfs/dbraw/zinc/46/27/14/742462714.db2.gz PJTQVCYBAGKYFF-ILXRZTDVSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C(C)(C)C1 ZINC000975062007 742469053 /nfs/dbraw/zinc/46/90/53/742469053.db2.gz MSVMJFWRCHMSID-OAHLLOKOSA-N 1 1 344.459 0.987 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CCN3CCCC3=O)C[C@]2(C)C1 ZINC000982233249 751738192 /nfs/dbraw/zinc/73/81/92/751738192.db2.gz LPVPLOLPZQXWII-OLMNPRSZSA-N 1 1 332.448 0.939 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975168798 742558670 /nfs/dbraw/zinc/55/86/70/742558670.db2.gz BKRHXRHPVPZAIK-JKSUJKDBSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975168798 742558672 /nfs/dbraw/zinc/55/86/72/742558672.db2.gz BKRHXRHPVPZAIK-JKSUJKDBSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000975212760 742609704 /nfs/dbraw/zinc/60/97/04/742609704.db2.gz KPETZCOFAPOKLR-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000975212760 742609707 /nfs/dbraw/zinc/60/97/07/742609707.db2.gz KPETZCOFAPOKLR-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000975361177 742752332 /nfs/dbraw/zinc/75/23/32/742752332.db2.gz KZXDWRPIYXQAAV-BBWFWOEESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000975361177 742752336 /nfs/dbraw/zinc/75/23/36/742752336.db2.gz KZXDWRPIYXQAAV-BBWFWOEESA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cn(CC)cn3)C2)C1=O ZINC001028932262 742900072 /nfs/dbraw/zinc/90/00/72/742900072.db2.gz FLMLVKSVBKLKJN-HOCLYGCPSA-N 1 1 345.447 0.742 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)nc1 ZINC001028935425 742913597 /nfs/dbraw/zinc/91/35/97/742913597.db2.gz CICJSUJQBLWWDU-OAHLLOKOSA-N 1 1 326.400 0.347 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001028935387 742913942 /nfs/dbraw/zinc/91/39/42/742913942.db2.gz BPPADJNJDIEBAC-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001028937528 742925226 /nfs/dbraw/zinc/92/52/26/742925226.db2.gz QFOTZJMUJKVAMA-LBPRGKRZSA-N 1 1 325.368 0.645 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)nc1 ZINC001028939719 742937226 /nfs/dbraw/zinc/93/72/26/742937226.db2.gz QVJCJBGIJNMYTF-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001028962798 743003018 /nfs/dbraw/zinc/00/30/18/743003018.db2.gz BUZSYFQRNHGPAF-KBPBESRZSA-N 1 1 329.828 0.424 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001028962798 743003024 /nfs/dbraw/zinc/00/30/24/743003024.db2.gz BUZSYFQRNHGPAF-KBPBESRZSA-N 1 1 329.828 0.424 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2conc2C)C1 ZINC001006760897 751783822 /nfs/dbraw/zinc/78/38/22/751783822.db2.gz WHDWHSFVRNGDPW-WBMJQRKESA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2conc2C)C1 ZINC001006760897 751783829 /nfs/dbraw/zinc/78/38/29/751783829.db2.gz WHDWHSFVRNGDPW-WBMJQRKESA-N 1 1 344.415 0.657 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000997093469 743226450 /nfs/dbraw/zinc/22/64/50/743226450.db2.gz NVGLDBQSHUMKDO-IUODEOHRSA-N 1 1 326.400 0.344 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@H]32)c1 ZINC001041981783 782541934 /nfs/dbraw/zinc/54/19/34/782541934.db2.gz GMUWORHVWRYBEM-HZPDHXFCSA-N 1 1 326.400 0.856 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H](C)C#N)[C@H]2C1 ZINC000975812072 743330237 /nfs/dbraw/zinc/33/02/37/743330237.db2.gz YFMOKHBBDOCVQZ-QEJZJMRPSA-N 1 1 329.404 0.801 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000997260163 743417850 /nfs/dbraw/zinc/41/78/50/743417850.db2.gz GCWQVPZNMKISEK-DGCLKSJQSA-N 1 1 328.844 0.979 20 30 ECEDMO C=CCCOCC(=O)N1CC(n2cc(C[NH2+]CCOCC=C)nn2)C1 ZINC001105381288 743455565 /nfs/dbraw/zinc/45/55/65/743455565.db2.gz WMUBZHCPGFIELU-UHFFFAOYSA-N 1 1 349.435 0.546 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OC[C@H]3CCCO3)C2)nn1 ZINC001105381411 743459698 /nfs/dbraw/zinc/45/96/98/743459698.db2.gz ZOZJSCGYAAIEBZ-CZUORRHYSA-N 1 1 349.435 0.521 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)C1=O ZINC001027291899 743471593 /nfs/dbraw/zinc/47/15/93/743471593.db2.gz YXUZDNWXLFRCAH-CVEARBPZSA-N 1 1 345.447 0.743 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087471074 743485612 /nfs/dbraw/zinc/48/56/12/743485612.db2.gz LREZQPFYWROWLQ-IRXDYDNUSA-N 1 1 343.427 0.868 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087471074 743485618 /nfs/dbraw/zinc/48/56/18/743485618.db2.gz LREZQPFYWROWLQ-IRXDYDNUSA-N 1 1 343.427 0.868 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CCN(CC(=O)NC)CC2)CC1 ZINC000997435027 743614154 /nfs/dbraw/zinc/61/41/54/743614154.db2.gz SUXSWDDURBQWEH-OAHLLOKOSA-N 1 1 348.491 0.294 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn(CCOC)nn3)C[C@@]2(C)C1 ZINC000982276695 751843445 /nfs/dbraw/zinc/84/34/45/751843445.db2.gz ZVJLLQCKVQAEKR-CALCHBBNSA-N 1 1 331.420 0.342 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)C1=O ZINC001027315534 743644658 /nfs/dbraw/zinc/64/46/58/743644658.db2.gz YQTSSGMLGLHGOY-HUUCEWRRSA-N 1 1 331.420 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(F)F ZINC000997770353 743800154 /nfs/dbraw/zinc/80/01/54/743800154.db2.gz WBHSHCCOYAUVEJ-RFGFWPKPSA-N 1 1 339.386 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(F)F ZINC000997770353 743800156 /nfs/dbraw/zinc/80/01/56/743800156.db2.gz WBHSHCCOYAUVEJ-RFGFWPKPSA-N 1 1 339.386 0.987 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnc(C)nc2C)C1 ZINC000997790491 743813174 /nfs/dbraw/zinc/81/31/74/743813174.db2.gz WDSCAGHJTDWMPN-INIZCTEOSA-N 1 1 341.415 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnc(C)nc2C)C1 ZINC000997790491 743813178 /nfs/dbraw/zinc/81/31/78/743813178.db2.gz WDSCAGHJTDWMPN-INIZCTEOSA-N 1 1 341.415 0.132 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001059872645 751869835 /nfs/dbraw/zinc/86/98/35/751869835.db2.gz DHCJQRUOOBQCEY-GUIRCDHDSA-N 1 1 344.419 0.435 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001059872645 751869846 /nfs/dbraw/zinc/86/98/46/751869846.db2.gz DHCJQRUOOBQCEY-GUIRCDHDSA-N 1 1 344.419 0.435 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000976407274 743916927 /nfs/dbraw/zinc/91/69/27/743916927.db2.gz GLUMJOJVPDDXPR-ZYIUAKIQSA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC000998077830 743963350 /nfs/dbraw/zinc/96/33/50/743963350.db2.gz VVQVDBCIRPKTLI-ZBFHGGJFSA-N 1 1 343.431 0.702 20 30 ECEDMO C=CCn1cc(C(=O)N(CC)[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)CC2)nn1 ZINC000998140144 744000934 /nfs/dbraw/zinc/00/09/34/744000934.db2.gz IDTDSKTZVNFIBC-UONOGXRCSA-N 1 1 348.451 0.655 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC000998186325 744037545 /nfs/dbraw/zinc/03/75/45/744037545.db2.gz FXARYQPANPWUCA-ZWKOTPCHSA-N 1 1 349.475 0.960 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001058771123 744065452 /nfs/dbraw/zinc/06/54/52/744065452.db2.gz RNRUPOZZINNCOQ-IBGZPJMESA-N 1 1 349.475 0.766 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000976674863 744185091 /nfs/dbraw/zinc/18/50/91/744185091.db2.gz LNVIOSWKIYRAEW-BIGJJFBESA-N 1 1 327.388 0.493 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000998508896 744204714 /nfs/dbraw/zinc/20/47/14/744204714.db2.gz DXDFFEWGCDPFPN-RUXDESIVSA-N 1 1 331.420 0.698 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC000998627309 744258256 /nfs/dbraw/zinc/25/82/56/744258256.db2.gz ZAPHPYKRYPGXSV-YVSFHVDLSA-N 1 1 329.444 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3OCC[C@H]3C)C[C@H]21 ZINC000976736460 744261763 /nfs/dbraw/zinc/26/17/63/744261763.db2.gz MRHGZLDSYIDCBJ-XDKXFUCDSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3OCC[C@H]3C)C[C@H]21 ZINC000976736460 744261768 /nfs/dbraw/zinc/26/17/68/744261768.db2.gz MRHGZLDSYIDCBJ-XDKXFUCDSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cocc3C)C[C@H]21 ZINC000976737352 744263433 /nfs/dbraw/zinc/26/34/33/744263433.db2.gz UHPZRGRIUAMPMX-HDEZJCGLSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cocc3C)C[C@H]21 ZINC000976737352 744263435 /nfs/dbraw/zinc/26/34/35/744263435.db2.gz UHPZRGRIUAMPMX-HDEZJCGLSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(C)(F)F)C[C@H]21 ZINC000976740080 744270579 /nfs/dbraw/zinc/27/05/79/744270579.db2.gz LMCXAUCZHGREKQ-QNWHQSFQSA-N 1 1 325.359 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(C)(F)F)C[C@H]21 ZINC000976740080 744270580 /nfs/dbraw/zinc/27/05/80/744270580.db2.gz LMCXAUCZHGREKQ-QNWHQSFQSA-N 1 1 325.359 0.312 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)c[nH]1 ZINC000998969105 744439161 /nfs/dbraw/zinc/43/91/61/744439161.db2.gz JAEVPRJEDJDAEB-GFCCVEGCSA-N 1 1 340.391 0.602 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC000999157413 744540739 /nfs/dbraw/zinc/54/07/39/744540739.db2.gz KRSNFZDIZUVRKN-FFRIZKCHSA-N 1 1 329.444 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC000999157413 744540743 /nfs/dbraw/zinc/54/07/43/744540743.db2.gz KRSNFZDIZUVRKN-FFRIZKCHSA-N 1 1 329.444 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCOC1 ZINC000977064409 744642481 /nfs/dbraw/zinc/64/24/81/744642481.db2.gz QSXJXQROAIGDOD-WPECMILSSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCOC1 ZINC000977064409 744642485 /nfs/dbraw/zinc/64/24/85/744642485.db2.gz QSXJXQROAIGDOD-WPECMILSSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cnc3ccc(OC)nn32)C1 ZINC001027469167 744650689 /nfs/dbraw/zinc/65/06/89/744650689.db2.gz VRFROKPVMBQJIV-CYBMUJFWSA-N 1 1 327.388 0.908 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nnc(CC)o2)C1 ZINC000999389712 744670408 /nfs/dbraw/zinc/67/04/08/744670408.db2.gz AXQURXSWAPKILY-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nnc(CC)o2)C1 ZINC000999389712 744670409 /nfs/dbraw/zinc/67/04/09/744670409.db2.gz AXQURXSWAPKILY-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001027476312 744699958 /nfs/dbraw/zinc/69/99/58/744699958.db2.gz JDAPZOPZVSFOQM-MRXNPFEDSA-N 1 1 331.416 0.664 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]32)c1 ZINC000977157026 744725258 /nfs/dbraw/zinc/72/52/58/744725258.db2.gz FSRXILDMASYTSE-SIXLDLHFSA-N 1 1 338.411 0.201 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3nonc3C)C2)nn1 ZINC000999521912 744736601 /nfs/dbraw/zinc/73/66/01/744736601.db2.gz BZFMPRKQVUPGEN-UHFFFAOYSA-N 1 1 331.380 0.548 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001027482839 744736905 /nfs/dbraw/zinc/73/69/05/744736905.db2.gz HKCGBIDGWXWHIK-MRXNPFEDSA-N 1 1 332.448 0.931 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001027482839 744736909 /nfs/dbraw/zinc/73/69/09/744736909.db2.gz HKCGBIDGWXWHIK-MRXNPFEDSA-N 1 1 332.448 0.931 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2OCC(N)=O)C1 ZINC001027487039 744750027 /nfs/dbraw/zinc/75/00/27/744750027.db2.gz XLNYPHYGBMQHCG-AWEZNQCLSA-N 1 1 329.400 0.720 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000977215233 744794367 /nfs/dbraw/zinc/79/43/67/744794367.db2.gz GRNGFOQKMTXSGN-ICELYOSQSA-N 1 1 347.459 0.492 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)CC2(C)C)nn1 ZINC000977273902 744828623 /nfs/dbraw/zinc/82/86/23/744828623.db2.gz RKYOZFFILLJKRG-DZGCQCFKSA-N 1 1 333.436 0.941 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000977304918 744849140 /nfs/dbraw/zinc/84/91/40/744849140.db2.gz RBNSDXDJBMPAOV-AWEZNQCLSA-N 1 1 348.451 0.582 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000977325081 744868826 /nfs/dbraw/zinc/86/88/26/744868826.db2.gz JAGLAOPZAHYDQR-QWHCGFSZSA-N 1 1 329.466 0.423 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001027514572 744916698 /nfs/dbraw/zinc/91/66/98/744916698.db2.gz NHWVRWLBNNRBNN-HNNXBMFYSA-N 1 1 343.431 0.995 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999865609 744963116 /nfs/dbraw/zinc/96/31/16/744963116.db2.gz UZBJRCNZCYMLAV-HNNXBMFYSA-N 1 1 339.439 0.879 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000977422910 744971435 /nfs/dbraw/zinc/97/14/35/744971435.db2.gz VBSQLIZWDZFEAU-GFCCVEGCSA-N 1 1 334.420 0.167 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cnn(C)c3)C2)C1=O ZINC001006906864 751964023 /nfs/dbraw/zinc/96/40/23/751964023.db2.gz PNSHDFYPXITXIJ-HZPDHXFCSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cnn(C)c3)C2)C1=O ZINC001006906864 751964029 /nfs/dbraw/zinc/96/40/29/751964029.db2.gz PNSHDFYPXITXIJ-HZPDHXFCSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cnn(C)c3)C2)C1=O ZINC001006906861 751964332 /nfs/dbraw/zinc/96/43/32/751964332.db2.gz PNSHDFYPXITXIJ-CVEARBPZSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cnn(C)c3)C2)C1=O ZINC001006906861 751964338 /nfs/dbraw/zinc/96/43/38/751964338.db2.gz PNSHDFYPXITXIJ-CVEARBPZSA-N 1 1 345.447 0.330 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC000999892778 745022612 /nfs/dbraw/zinc/02/26/12/745022612.db2.gz YZOPBFJQXDRGQV-SWLSCSKDSA-N 1 1 326.400 0.201 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3COC(=O)C3)[C@@H](O)C2)cc1 ZINC001083407290 745025551 /nfs/dbraw/zinc/02/55/51/745025551.db2.gz NEUXHHNQPXSMOB-XHSDSOJGSA-N 1 1 343.383 0.173 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3COC(=O)C3)[C@@H](O)C2)cc1 ZINC001083407290 745025559 /nfs/dbraw/zinc/02/55/59/745025559.db2.gz NEUXHHNQPXSMOB-XHSDSOJGSA-N 1 1 343.383 0.173 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc[n+]([O-])cc3)nn2)C1 ZINC000999953082 745090962 /nfs/dbraw/zinc/09/09/62/745090962.db2.gz VLWFNSZWWZRIEA-INIZCTEOSA-N 1 1 342.403 0.664 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999960094 745101585 /nfs/dbraw/zinc/10/15/85/745101585.db2.gz BMQZNIDWYWLSEC-JKSUJKDBSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999960094 745101588 /nfs/dbraw/zinc/10/15/88/745101588.db2.gz BMQZNIDWYWLSEC-JKSUJKDBSA-N 1 1 332.452 0.811 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999961202 745104148 /nfs/dbraw/zinc/10/41/48/745104148.db2.gz IHGIIRNLPCHRIU-JKSUJKDBSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999961202 745104151 /nfs/dbraw/zinc/10/41/51/745104151.db2.gz IHGIIRNLPCHRIU-JKSUJKDBSA-N 1 1 330.436 0.259 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(CC)c3)nn2)C1 ZINC000999964267 745108751 /nfs/dbraw/zinc/10/87/51/745108751.db2.gz XPPKCJGCMAVHRQ-INIZCTEOSA-N 1 1 341.419 0.695 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001059878969 751972778 /nfs/dbraw/zinc/97/27/78/751972778.db2.gz SAFVNLQAPWXREX-QLFBSQMISA-N 1 1 342.447 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC2(C)C)cn1 ZINC000977520997 745112075 /nfs/dbraw/zinc/11/20/75/745112075.db2.gz CYHBNGOQCCJDBG-HUUCEWRRSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)cn1 ZINC000977520997 745112076 /nfs/dbraw/zinc/11/20/76/745112076.db2.gz CYHBNGOQCCJDBG-HUUCEWRRSA-N 1 1 326.400 0.392 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCc2cn([C@@H]3CC[N@H+](CCCO)C3)nn2)c1 ZINC000999970288 745117859 /nfs/dbraw/zinc/11/78/59/745117859.db2.gz BKJPXEYALORIDU-CQSZACIVSA-N 1 1 343.391 0.037 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccc(=O)[nH]3)nn2)C1 ZINC000999973334 745122175 /nfs/dbraw/zinc/12/21/75/745122175.db2.gz ZXNHLHGUUSQKSR-CQSZACIVSA-N 1 1 340.387 0.579 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 ZINC000999976310 745125297 /nfs/dbraw/zinc/12/52/97/745125297.db2.gz TXFOWMOGAYHPKP-SMDDNHRTSA-N 1 1 343.391 0.035 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCOCC3)nn2)C1 ZINC000999985763 745139552 /nfs/dbraw/zinc/13/95/52/745139552.db2.gz PTVWTZFJWAMHHR-GDBMZVCRSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCOCC3)nn2)C1 ZINC000999986523 745141005 /nfs/dbraw/zinc/14/10/05/745141005.db2.gz TVRMXTZBTPJTKY-NVXWUHKLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)CC2(C)C)cn1 ZINC000977524901 745143327 /nfs/dbraw/zinc/14/33/27/745143327.db2.gz MKEICWPZRDUEFE-SWLSCSKDSA-N 1 1 328.416 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)cn1 ZINC000977524901 745143332 /nfs/dbraw/zinc/14/33/32/745143332.db2.gz MKEICWPZRDUEFE-SWLSCSKDSA-N 1 1 328.416 0.638 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C(C)(C)C1 ZINC000977525322 745144454 /nfs/dbraw/zinc/14/44/54/745144454.db2.gz JHYCTQOLDAIQDR-AWEZNQCLSA-N 1 1 325.372 0.804 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C(C)(C)C1 ZINC000977525322 745144459 /nfs/dbraw/zinc/14/44/59/745144459.db2.gz JHYCTQOLDAIQDR-AWEZNQCLSA-N 1 1 325.372 0.804 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)CC2(C)C)nc1 ZINC000977528889 745149116 /nfs/dbraw/zinc/14/91/16/745149116.db2.gz WADQUXDEKVVWPA-WFASDCNBSA-N 1 1 328.416 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)nc1 ZINC000977528889 745149121 /nfs/dbraw/zinc/14/91/21/745149121.db2.gz WADQUXDEKVVWPA-WFASDCNBSA-N 1 1 328.416 0.638 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)nc3CC)nn2)C1 ZINC000999991892 745149533 /nfs/dbraw/zinc/14/95/33/745149533.db2.gz MEXWIMGRWQNLHV-CQSZACIVSA-N 1 1 343.435 0.937 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC000977531784 745153444 /nfs/dbraw/zinc/15/34/44/745153444.db2.gz SVUCXKZBICLNDA-AWEZNQCLSA-N 1 1 340.387 0.764 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccsn3)nn2)C1 ZINC000999995706 745154604 /nfs/dbraw/zinc/15/46/04/745154604.db2.gz HGWCMXLKPCUAEX-ZDUSSCGKSA-N 1 1 330.417 0.935 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)nn2)C1 ZINC001000001410 745164283 /nfs/dbraw/zinc/16/42/83/745164283.db2.gz MJDOMOFKKBUPEX-PQEBFOHHSA-N 1 1 343.431 0.589 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001000002112 745165273 /nfs/dbraw/zinc/16/52/73/745165273.db2.gz GWJRZCWSDXSGDR-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc(F)c[nH]3)nn2)C1 ZINC001000002488 745166723 /nfs/dbraw/zinc/16/67/23/745166723.db2.gz SALMXFKVBVSDDJ-AWEZNQCLSA-N 1 1 330.367 0.945 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3CC)nn2)C1 ZINC001000019031 745188827 /nfs/dbraw/zinc/18/88/27/745188827.db2.gz RSYLOXPKTADEQY-BBWFWOEESA-N 1 1 345.447 0.980 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3C)nn2)C1 ZINC001000020233 745191366 /nfs/dbraw/zinc/19/13/66/745191366.db2.gz KYEVZSBMAKEXQX-KBMXLJTQSA-N 1 1 331.420 0.589 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C)nc3C)nn2)C1 ZINC001000029920 745203556 /nfs/dbraw/zinc/20/35/56/745203556.db2.gz PCGJABKRAZCZTE-HNNXBMFYSA-N 1 1 339.403 0.495 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)nc(C)n3)nn2)C1 ZINC001000029512 745203585 /nfs/dbraw/zinc/20/35/85/745203585.db2.gz OMHRTDAVAOWJCD-OAHLLOKOSA-N 1 1 339.403 0.495 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CCO)C2)nn1 ZINC001000031371 745206227 /nfs/dbraw/zinc/20/62/27/745206227.db2.gz NQSHOWLULHPAAC-PMPSAXMXSA-N 1 1 349.435 0.115 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C(C)C)c3)nn2)C1 ZINC001000033004 745206767 /nfs/dbraw/zinc/20/67/67/745206767.db2.gz BDAPOKLQHXKTRV-INIZCTEOSA-N 1 1 341.419 0.866 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@H]3CC[N@@H+](CCF)C3)nn2)nc1 ZINC001000032873 745207034 /nfs/dbraw/zinc/20/70/34/745207034.db2.gz ARFJMZVDQHPDRJ-HNNXBMFYSA-N 1 1 342.378 0.801 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@H]3CC[N@H+](CCF)C3)nn2)nc1 ZINC001000032873 745207039 /nfs/dbraw/zinc/20/70/39/745207039.db2.gz ARFJMZVDQHPDRJ-HNNXBMFYSA-N 1 1 342.378 0.801 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1=O ZINC001075771173 745208849 /nfs/dbraw/zinc/20/88/49/745208849.db2.gz USOFODCQFLORBK-YESZJQIVSA-N 1 1 329.444 0.942 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cn([C@H]3CC[N@H+](CCC)C3)nn2)nn1 ZINC001000035125 745211415 /nfs/dbraw/zinc/21/14/15/745211415.db2.gz YJJLAOQUXRAOPN-AWEZNQCLSA-N 1 1 344.423 0.642 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001000035803 745211956 /nfs/dbraw/zinc/21/19/56/745211956.db2.gz MQYMWUHAAJWHKU-ZDUSSCGKSA-N 1 1 347.810 0.997 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001000035803 745211958 /nfs/dbraw/zinc/21/19/58/745211958.db2.gz MQYMWUHAAJWHKU-ZDUSSCGKSA-N 1 1 347.810 0.997 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(CC)cn3)nn2)C1 ZINC001000035886 745212010 /nfs/dbraw/zinc/21/20/10/745212010.db2.gz QLDCJSHBBIPQOI-AWEZNQCLSA-N 1 1 327.392 0.305 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCn3ccnc3)C2)nn1 ZINC001098696948 745212543 /nfs/dbraw/zinc/21/25/43/745212543.db2.gz AFLQWZLSSNIELK-HNNXBMFYSA-N 1 1 329.408 0.614 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@H]3CC[N@H+](CC#CC)C3)nn2)cn1 ZINC001000036993 745214616 /nfs/dbraw/zinc/21/46/16/745214616.db2.gz XBGMQERFTDAPRO-SFHVURJKSA-N 1 1 348.410 0.855 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001000038637 745217671 /nfs/dbraw/zinc/21/76/71/745217671.db2.gz YQYNLCWGBWCLEN-CQSZACIVSA-N 1 1 327.392 0.821 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3ccn(C)n3)C(C)(C)C2)C1=O ZINC000977583255 745241822 /nfs/dbraw/zinc/24/18/22/745241822.db2.gz CJABEWYFYILITD-CABCVRRESA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3ccn(C)n3)C(C)(C)C2)C1=O ZINC000977583255 745241827 /nfs/dbraw/zinc/24/18/27/745241827.db2.gz CJABEWYFYILITD-CABCVRRESA-N 1 1 345.447 0.647 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000977586594 745247163 /nfs/dbraw/zinc/24/71/63/745247163.db2.gz WJDJXTBQNTXYFR-DOMZBBRYSA-N 1 1 329.404 0.511 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001059235377 745302569 /nfs/dbraw/zinc/30/25/69/745302569.db2.gz WQWZGSROSDYJNB-JYJNAYRXSA-N 1 1 329.404 0.733 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001059235377 745302575 /nfs/dbraw/zinc/30/25/75/745302575.db2.gz WQWZGSROSDYJNB-JYJNAYRXSA-N 1 1 329.404 0.733 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNc1nc(C)cc(C#N)n1 ZINC001111494926 745432709 /nfs/dbraw/zinc/43/27/09/745432709.db2.gz POXGHEVCPOXPMU-UHFFFAOYSA-N 1 1 348.451 0.621 20 30 ECEDMO CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 ZINC001000332559 745433079 /nfs/dbraw/zinc/43/30/79/745433079.db2.gz AZBUWOIMEWWGSK-OAHLLOKOSA-N 1 1 338.473 0.948 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977728194 745445875 /nfs/dbraw/zinc/44/58/75/745445875.db2.gz AFLSMDPKUJDGNS-DOMZBBRYSA-N 1 1 329.404 0.511 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCN2CCCC2=O)c1 ZINC001029260830 745465381 /nfs/dbraw/zinc/46/53/81/745465381.db2.gz YRCASTHXYSWLFA-GASCZTMLSA-N 1 1 341.415 0.798 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN2CCCC2=O)c1 ZINC001029260830 745465385 /nfs/dbraw/zinc/46/53/85/745465385.db2.gz YRCASTHXYSWLFA-GASCZTMLSA-N 1 1 341.415 0.798 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC001059265454 745508288 /nfs/dbraw/zinc/50/82/88/745508288.db2.gz WLROMCWEESXWIW-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC001059265454 745508292 /nfs/dbraw/zinc/50/82/92/745508292.db2.gz WLROMCWEESXWIW-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414723 745547291 /nfs/dbraw/zinc/54/72/91/745547291.db2.gz RKEMSEBOFVPBIK-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414723 745547293 /nfs/dbraw/zinc/54/72/93/745547293.db2.gz RKEMSEBOFVPBIK-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4COCCO4)[C@@H]3C2)c1 ZINC000977841107 745550907 /nfs/dbraw/zinc/55/09/07/745550907.db2.gz RDCZQYIRTOTSAU-ZJPYXAASSA-N 1 1 341.411 0.768 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccnc(C#N)n1 ZINC001126513626 745553676 /nfs/dbraw/zinc/55/36/76/745553676.db2.gz SJTZAGFYIJICBA-AWEZNQCLSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccn[nH]4)[C@@H]3C2)C1=O ZINC000977848451 745560735 /nfs/dbraw/zinc/56/07/35/745560735.db2.gz NTRDXVGZYSOVOS-XPCVCDNBSA-N 1 1 329.404 0.104 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 ZINC001075795242 745561731 /nfs/dbraw/zinc/56/17/31/745561731.db2.gz HZQKZERRTRDVHH-UONOGXRCSA-N 1 1 331.416 0.328 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3cocn3)CC2)C1=O ZINC001000519895 745562943 /nfs/dbraw/zinc/56/29/43/745562943.db2.gz ZPWIZXFMNFEAEV-HNNXBMFYSA-N 1 1 330.388 0.823 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@H+](CC(=O)N3CCC3)CC2)c1 ZINC001000559134 745594562 /nfs/dbraw/zinc/59/45/62/745594562.db2.gz LJWORLCOCNJDLS-UHFFFAOYSA-N 1 1 327.388 0.481 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@@H+](CC(=O)N3CCC3)CC2)c1 ZINC001000559134 745594566 /nfs/dbraw/zinc/59/45/66/745594566.db2.gz LJWORLCOCNJDLS-UHFFFAOYSA-N 1 1 327.388 0.481 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCNC2=O)cn1 ZINC001028270005 752020606 /nfs/dbraw/zinc/02/06/06/752020606.db2.gz CXZOJUUDBURGIO-INIZCTEOSA-N 1 1 341.415 0.282 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccsn1 ZINC000977916726 745643183 /nfs/dbraw/zinc/64/31/83/745643183.db2.gz GGVYDWOZXHWWDW-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccsn1 ZINC000977916726 745643187 /nfs/dbraw/zinc/64/31/87/745643187.db2.gz GGVYDWOZXHWWDW-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(F)c[nH]1 ZINC000977921330 745650806 /nfs/dbraw/zinc/65/08/06/745650806.db2.gz RPZWOUJOYUQIEK-HOCLYGCPSA-N 1 1 346.406 0.924 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(F)c[nH]1 ZINC000977921330 745650808 /nfs/dbraw/zinc/65/08/08/745650808.db2.gz RPZWOUJOYUQIEK-HOCLYGCPSA-N 1 1 346.406 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1nonc1C ZINC000977938722 745669913 /nfs/dbraw/zinc/66/99/13/745669913.db2.gz YPXKPCNYOHRQEI-KGLIPLIRSA-N 1 1 345.403 0.149 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1nonc1C ZINC000977938722 745669915 /nfs/dbraw/zinc/66/99/15/745669915.db2.gz YPXKPCNYOHRQEI-KGLIPLIRSA-N 1 1 345.403 0.149 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ncoc1C ZINC000977926508 745680835 /nfs/dbraw/zinc/68/08/35/745680835.db2.gz KBYRRBIYDWEYAC-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ncoc1C ZINC000977926508 745680840 /nfs/dbraw/zinc/68/08/40/745680840.db2.gz KBYRRBIYDWEYAC-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1=COCCC1 ZINC000977932043 745689174 /nfs/dbraw/zinc/68/91/74/745689174.db2.gz XJVKZIDTBWSYAV-SJORKVTESA-N 1 1 345.443 0.838 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1=COCCC1 ZINC000977932043 745689176 /nfs/dbraw/zinc/68/91/76/745689176.db2.gz XJVKZIDTBWSYAV-SJORKVTESA-N 1 1 345.443 0.838 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001000682902 745695758 /nfs/dbraw/zinc/69/57/58/745695758.db2.gz LKXHVWYLHROJQO-OAHLLOKOSA-N 1 1 341.415 0.534 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC000977960379 745720006 /nfs/dbraw/zinc/72/00/06/745720006.db2.gz URHLIFGIDAXZAM-WISYIIOYSA-N 1 1 342.237 0.468 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029338166 745750551 /nfs/dbraw/zinc/75/05/51/745750551.db2.gz TWVHSBXCCOLXFB-ZNMIVQPWSA-N 1 1 328.416 0.851 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982351872 752031009 /nfs/dbraw/zinc/03/10/09/752031009.db2.gz COYCBZGEXQTDLS-HDICACEKSA-N 1 1 331.416 0.329 20 30 ECEDMO Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)[nH]1 ZINC000978022093 745787425 /nfs/dbraw/zinc/78/74/25/745787425.db2.gz OKRALFDOLGLHNX-JXJLXUTGSA-N 1 1 339.403 0.982 20 30 ECEDMO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)[nH]1 ZINC000978022093 745787429 /nfs/dbraw/zinc/78/74/29/745787429.db2.gz OKRALFDOLGLHNX-JXJLXUTGSA-N 1 1 339.403 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(F)c[nH]1 ZINC000978023641 745788577 /nfs/dbraw/zinc/78/85/77/745788577.db2.gz IJTNGYMSIYGXBR-ZBFHGGJFSA-N 1 1 346.406 0.924 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(F)c[nH]1 ZINC000978023641 745788583 /nfs/dbraw/zinc/78/85/83/745788583.db2.gz IJTNGYMSIYGXBR-ZBFHGGJFSA-N 1 1 346.406 0.924 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001020726363 752033302 /nfs/dbraw/zinc/03/33/02/752033302.db2.gz HMEWRQCMGVAVGI-DUPGQFARSA-N 1 1 346.435 0.726 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001075807468 745814648 /nfs/dbraw/zinc/81/46/48/745814648.db2.gz DGBYYENQWMIURB-JJXSEGSLSA-N 1 1 335.448 0.589 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001075807468 745814654 /nfs/dbraw/zinc/81/46/54/745814654.db2.gz DGBYYENQWMIURB-JJXSEGSLSA-N 1 1 335.448 0.589 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3conc3COC)C2)nn1 ZINC001105360897 752035824 /nfs/dbraw/zinc/03/58/24/752035824.db2.gz LSTSXRJAWJBLAK-UHFFFAOYSA-N 1 1 332.364 0.385 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC000978027389 745828027 /nfs/dbraw/zinc/82/80/27/745828027.db2.gz CHPCAKPCULPJKM-HGTKMLMNSA-N 1 1 341.415 0.415 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001000858957 745833088 /nfs/dbraw/zinc/83/30/88/745833088.db2.gz NSJZKNAZXPLQOZ-CQSZACIVSA-N 1 1 329.404 0.318 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sc(CC)nc1C ZINC001114960351 745839506 /nfs/dbraw/zinc/83/95/06/745839506.db2.gz RUGWMBDTSKPBQI-JYAVWHMHSA-N 1 1 348.472 0.976 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sc(CC)nc1C ZINC001114960351 745839511 /nfs/dbraw/zinc/83/95/11/745839511.db2.gz RUGWMBDTSKPBQI-JYAVWHMHSA-N 1 1 348.472 0.976 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cncnc4)[C@@H]3C2)C1=O ZINC000978052339 745861591 /nfs/dbraw/zinc/86/15/91/745861591.db2.gz VYULXLHNATUUQJ-JONQDZQNSA-N 1 1 341.415 0.171 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001000993333 745958782 /nfs/dbraw/zinc/95/87/82/745958782.db2.gz CTAQJGBOYRSXIT-HNNXBMFYSA-N 1 1 329.404 0.690 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nc(C)nn3C2)CC1 ZINC001000996525 745961578 /nfs/dbraw/zinc/96/15/78/745961578.db2.gz UQPGKTQPXGNBKR-MRXNPFEDSA-N 1 1 327.432 0.921 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nccnc1C#N ZINC001126537945 745987013 /nfs/dbraw/zinc/98/70/13/745987013.db2.gz KVUMJXUUBRIKDE-ZIAGYGMSSA-N 1 1 346.435 0.257 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000984179028 745995511 /nfs/dbraw/zinc/99/55/11/745995511.db2.gz YBEGZXZHYJNLMB-HOTGVXAUSA-N 1 1 333.432 0.180 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000984179028 745995513 /nfs/dbraw/zinc/99/55/13/745995513.db2.gz YBEGZXZHYJNLMB-HOTGVXAUSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001007022956 752051966 /nfs/dbraw/zinc/05/19/66/752051966.db2.gz YCMKMWVDJZKTNV-ZFWWWQNUSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001007022956 752051975 /nfs/dbraw/zinc/05/19/75/752051975.db2.gz YCMKMWVDJZKTNV-ZFWWWQNUSA-N 1 1 344.415 0.768 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001007027874 752053435 /nfs/dbraw/zinc/05/34/35/752053435.db2.gz FSNFWLVAUMEUOG-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028463 752053736 /nfs/dbraw/zinc/05/37/36/752053736.db2.gz JCWJQOHGQQYROR-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028463 752053743 /nfs/dbraw/zinc/05/37/43/752053743.db2.gz JCWJQOHGQQYROR-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnnn3C)[C@H]2CC)C1=O ZINC001087560073 746032443 /nfs/dbraw/zinc/03/24/43/746032443.db2.gz NCNXENLYQOYUCN-MJBXVCDLSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnnn3C)[C@H]2CC)C1=O ZINC001087560073 746032448 /nfs/dbraw/zinc/03/24/48/746032448.db2.gz NCNXENLYQOYUCN-MJBXVCDLSA-N 1 1 346.435 0.185 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000984225689 746086210 /nfs/dbraw/zinc/08/62/10/746086210.db2.gz RIGFFPCHFFFRIW-LSDHHAIUSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)[C@@H]2C1 ZINC000978237645 746092295 /nfs/dbraw/zinc/09/22/95/746092295.db2.gz CYQICTRWSQOGMS-YHUYYLMFSA-N 1 1 331.460 0.951 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1=CC[N@H+](CC#Cc2ccccc2)CC1 ZINC001001154863 746120744 /nfs/dbraw/zinc/12/07/44/746120744.db2.gz PCKLTNVTLRYWLJ-MSOLQXFVSA-N 1 1 337.423 0.908 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001001154863 746120747 /nfs/dbraw/zinc/12/07/47/746120747.db2.gz PCKLTNVTLRYWLJ-MSOLQXFVSA-N 1 1 337.423 0.908 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cnnn3C)C2)nn1 ZINC001027606613 746133378 /nfs/dbraw/zinc/13/33/78/746133378.db2.gz JNSVNNQXONGNCN-CYBMUJFWSA-N 1 1 344.423 0.329 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cnnn3C)C2)nn1 ZINC001027606613 746133381 /nfs/dbraw/zinc/13/33/81/746133381.db2.gz JNSVNNQXONGNCN-CYBMUJFWSA-N 1 1 344.423 0.329 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4c3NC(=O)CO4)[C@@H]2C1 ZINC000978296211 746167119 /nfs/dbraw/zinc/16/71/19/746167119.db2.gz GAKGPHOIGCDZEO-ZSOGYDGISA-N 1 1 325.368 0.558 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)[C@H]1CC ZINC001087673147 746170924 /nfs/dbraw/zinc/17/09/24/746170924.db2.gz XZOSOQVRLFZOCG-BFHYXJOUSA-N 1 1 329.391 0.555 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC000978316465 746195775 /nfs/dbraw/zinc/19/57/75/746195775.db2.gz DQFSMHBXMCOEKA-ZSOGYDGISA-N 1 1 325.368 0.558 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+]([C@@H](CC)C(N)=O)CC2)nn1 ZINC001001243304 746201929 /nfs/dbraw/zinc/20/19/29/746201929.db2.gz YVDDUFZWSCEPOW-AWEZNQCLSA-N 1 1 332.408 0.090 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001027612586 746211827 /nfs/dbraw/zinc/21/18/27/746211827.db2.gz LRDZQAQWYFHWRC-OLZOCXBDSA-N 1 1 349.884 0.696 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001027612586 746211829 /nfs/dbraw/zinc/21/18/29/746211829.db2.gz LRDZQAQWYFHWRC-OLZOCXBDSA-N 1 1 349.884 0.696 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3CC)[C@@H]2C1 ZINC000978372416 746258629 /nfs/dbraw/zinc/25/86/29/746258629.db2.gz NQZIOBLOKLKITC-XQLPTFJDSA-N 1 1 327.856 0.754 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1CC ZINC001087757119 746290676 /nfs/dbraw/zinc/29/06/76/746290676.db2.gz BYYRYDDPNKCABE-LSDHHAIUSA-N 1 1 346.435 0.171 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC001001358189 746305305 /nfs/dbraw/zinc/30/53/05/746305305.db2.gz WJEKSYHLDCWQHD-GOEBONIOSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC000984349850 746330462 /nfs/dbraw/zinc/33/04/62/746330462.db2.gz JDEORVYHTMKQIE-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC000984349850 746330466 /nfs/dbraw/zinc/33/04/66/746330466.db2.gz JDEORVYHTMKQIE-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1=O ZINC001027625774 746352206 /nfs/dbraw/zinc/35/22/06/746352206.db2.gz WZCIJZNVOXTZQA-OLZOCXBDSA-N 1 1 332.408 0.128 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C[C@@H](O)Cn3cccn3)C2)[nH]1 ZINC001007096311 752082624 /nfs/dbraw/zinc/08/26/24/752082624.db2.gz DKIMVLVOEZZHOT-LSDHHAIUSA-N 1 1 342.403 0.338 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001484750 746423609 /nfs/dbraw/zinc/42/36/09/746423609.db2.gz NKLSVGOOOPUGCQ-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)c(C)nn(C)c3=O)[C@@H]2C1 ZINC000978573435 746452061 /nfs/dbraw/zinc/45/20/61/746452061.db2.gz NIHVZMFBXPIFLX-QKDCVEJESA-N 1 1 330.432 0.881 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4[nH]c(=O)[nH]c4n3)[C@@H]2C1 ZINC000978642183 746534758 /nfs/dbraw/zinc/53/47/58/746534758.db2.gz OGLVVVGMCMUMRC-CNDDSTCGSA-N 1 1 325.372 0.594 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1 ZINC000978642825 746535159 /nfs/dbraw/zinc/53/51/59/746535159.db2.gz XBNVAAJNFVTGBE-QKDCVEJESA-N 1 1 337.387 0.190 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001029456503 746590576 /nfs/dbraw/zinc/59/05/76/746590576.db2.gz HSDVFAYUENLTKW-QWQRMKEZSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC001029456503 746590581 /nfs/dbraw/zinc/59/05/81/746590581.db2.gz HSDVFAYUENLTKW-QWQRMKEZSA-N 1 1 348.447 0.816 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978697938 746593141 /nfs/dbraw/zinc/59/31/41/746593141.db2.gz PHKBRKLJLZSNNU-VIRABCJISA-N 1 1 343.431 0.709 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)nc1 ZINC001027656343 746596902 /nfs/dbraw/zinc/59/69/02/746596902.db2.gz NRPAHBWKBUOFED-RDJZCZTQSA-N 1 1 340.427 0.830 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000978709592 746610626 /nfs/dbraw/zinc/61/06/26/746610626.db2.gz AKABWUUJUQVEOU-SUJAAXHWSA-N 1 1 333.432 0.150 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001027663545 746646084 /nfs/dbraw/zinc/64/60/84/746646084.db2.gz DAHRNTQQXHYLKF-UKRRQHHQSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC000978745302 746672885 /nfs/dbraw/zinc/67/28/85/746672885.db2.gz WAGVLGYNCSKNRH-ZQDZILKHSA-N 1 1 330.436 0.496 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)CSCC#N ZINC001211886219 746707750 /nfs/dbraw/zinc/70/77/50/746707750.db2.gz GMFSHYFQLQHRPU-GHMZBOCLSA-N 1 1 337.392 0.340 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)CSCC#N ZINC001211886219 746707754 /nfs/dbraw/zinc/70/77/54/746707754.db2.gz GMFSHYFQLQHRPU-GHMZBOCLSA-N 1 1 337.392 0.340 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001087959262 746741725 /nfs/dbraw/zinc/74/17/25/746741725.db2.gz SQIRHRGMEVDLRK-FGTMMUONSA-N 1 1 342.443 0.438 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnoc4C)C[C@H]32)nn1 ZINC000978818297 746745086 /nfs/dbraw/zinc/74/50/86/746745086.db2.gz PGBLSXXBZKVXNU-QKDCVEJESA-N 1 1 342.403 0.868 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(n3cc(C[NH2+]CC=C)nn3)C2)nn1 ZINC001105340723 746748576 /nfs/dbraw/zinc/74/85/76/746748576.db2.gz NBPKCWLLFQQAGI-UHFFFAOYSA-N 1 1 342.407 0.418 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)COc3c(C)nn(C)c3C)C[C@@H]2C1 ZINC001087965962 746758163 /nfs/dbraw/zinc/75/81/63/746758163.db2.gz FSUHSLVLWDWQBU-CVEARBPZSA-N 1 1 330.432 0.829 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000978840575 746767653 /nfs/dbraw/zinc/76/76/53/746767653.db2.gz YEYCAVRGFPNUSD-VNHYZAJKSA-N 1 1 346.435 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccn(CC)n2)C1 ZINC001001865187 746774032 /nfs/dbraw/zinc/77/40/32/746774032.db2.gz HKZWMZMHHSPDJK-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccn(CC)n2)C1 ZINC001001865187 746774038 /nfs/dbraw/zinc/77/40/38/746774038.db2.gz HKZWMZMHHSPDJK-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4n[nH]c(=O)n4c3)[C@@H]2C1 ZINC000978856922 746787357 /nfs/dbraw/zinc/78/73/57/746787357.db2.gz OWDYBQAGIMKREZ-ZSOGYDGISA-N 1 1 325.372 0.366 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC001001893478 746790534 /nfs/dbraw/zinc/79/05/34/746790534.db2.gz FISJQKKXPLQGEL-VDERGJSUSA-N 1 1 341.415 0.842 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC000978859399 746797403 /nfs/dbraw/zinc/79/74/03/746797403.db2.gz UJCFXBMWFVLDLP-APIJFGDWSA-N 1 1 341.477 0.281 20 30 ECEDMO C=CCN1CC[C@H](N(C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001027681703 746799789 /nfs/dbraw/zinc/79/97/89/746799789.db2.gz AWFOCZSSKYPBCW-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC000978952408 746945567 /nfs/dbraw/zinc/94/55/67/746945567.db2.gz GVCVOIFOJOKFJS-ZNMIVQPWSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC000978952408 746945573 /nfs/dbraw/zinc/94/55/73/746945573.db2.gz GVCVOIFOJOKFJS-ZNMIVQPWSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccncn2)C1 ZINC000978954480 746949893 /nfs/dbraw/zinc/94/98/93/746949893.db2.gz USUKNQIWNYXCNT-LZWOXQAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccncn2)C1 ZINC000978954480 746949897 /nfs/dbraw/zinc/94/98/97/746949897.db2.gz USUKNQIWNYXCNT-LZWOXQAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@@H]2C1 ZINC001087992283 746951832 /nfs/dbraw/zinc/95/18/32/746951832.db2.gz NLMBNLOYIWOEOF-PMPSAXMXSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@@H]2C1 ZINC001087993877 746955789 /nfs/dbraw/zinc/95/57/89/746955789.db2.gz IGTGLGGOCXCPQZ-FGTMMUONSA-N 1 1 343.475 0.617 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027704171 746963475 /nfs/dbraw/zinc/96/34/75/746963475.db2.gz KGAZZGVTVGJTPR-NWDGAFQWSA-N 1 1 327.812 0.715 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027704171 746963477 /nfs/dbraw/zinc/96/34/77/746963477.db2.gz KGAZZGVTVGJTPR-NWDGAFQWSA-N 1 1 327.812 0.715 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059446238 746980445 /nfs/dbraw/zinc/98/04/45/746980445.db2.gz NIWWYWOVNSTZMQ-MGPQQGTHSA-N 1 1 328.420 0.704 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001002131872 747011489 /nfs/dbraw/zinc/01/14/89/747011489.db2.gz HIHXUJAZBIIKFK-LBPRGKRZSA-N 1 1 335.857 0.259 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000984895165 747066683 /nfs/dbraw/zinc/06/66/83/747066683.db2.gz JQQBTPWZLYWCCS-VBNZEHGJSA-N 1 1 343.431 0.947 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001007164723 752147375 /nfs/dbraw/zinc/14/73/75/752147375.db2.gz OMXDKQUSNIDHCX-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001007164723 752147377 /nfs/dbraw/zinc/14/73/77/752147377.db2.gz OMXDKQUSNIDHCX-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c(cn3)nc[nH]c4=O)[C@@H]2C1 ZINC000979043487 747074325 /nfs/dbraw/zinc/07/43/25/747074325.db2.gz IWKKPWUWAIFNIV-ZSOGYDGISA-N 1 1 337.383 0.661 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001007164726 752147477 /nfs/dbraw/zinc/14/74/77/752147477.db2.gz OMXDKQUSNIDHCX-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001007164726 752147479 /nfs/dbraw/zinc/14/74/79/752147479.db2.gz OMXDKQUSNIDHCX-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)CSCC#N ZINC001211888549 747121254 /nfs/dbraw/zinc/12/12/54/747121254.db2.gz BKYRYEFGUGZOAC-CHWSQXEVSA-N 1 1 340.474 0.758 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)CSCC#N ZINC001211888549 747121260 /nfs/dbraw/zinc/12/12/60/747121260.db2.gz BKYRYEFGUGZOAC-CHWSQXEVSA-N 1 1 340.474 0.758 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3C(C)=O)[C@@H]2C1 ZINC000979077436 747129128 /nfs/dbraw/zinc/12/91/28/747129128.db2.gz ABPKLVZIYYTJTO-XQLPTFJDSA-N 1 1 341.839 0.280 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@@H]2C1 ZINC000979069404 747141691 /nfs/dbraw/zinc/14/16/91/747141691.db2.gz CMIDKRDYKJTBEP-APIJFGDWSA-N 1 1 326.462 0.824 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001098715628 747143631 /nfs/dbraw/zinc/14/36/31/747143631.db2.gz IKSOFMVPPIQVEA-IAGOWNOFSA-N 1 1 346.479 0.751 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C[C@@H]2C1 ZINC001088050023 747145968 /nfs/dbraw/zinc/14/59/68/747145968.db2.gz LJGHNNQOIKOWGT-ZACQAIPSSA-N 1 1 341.459 0.953 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@@H]2C1 ZINC001088052222 747157611 /nfs/dbraw/zinc/15/76/11/747157611.db2.gz DFSZTRZNIDBVML-CABCVRRESA-N 1 1 333.436 0.328 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@@H]2C1 ZINC001088054494 747163499 /nfs/dbraw/zinc/16/34/99/747163499.db2.gz HXMFPSYDJDLIFK-VSZNYVQBSA-N 1 1 347.459 0.426 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3C(C)=O)[C@@H]2C1 ZINC000979096007 747168856 /nfs/dbraw/zinc/16/88/56/747168856.db2.gz WDSVCRYXPZDDJA-NXOAAHMSSA-N 1 1 335.448 0.494 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001002289375 747173756 /nfs/dbraw/zinc/17/37/56/747173756.db2.gz CUESGOUNWQXWTA-OAHLLOKOSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001002289375 747173759 /nfs/dbraw/zinc/17/37/59/747173759.db2.gz CUESGOUNWQXWTA-OAHLLOKOSA-N 1 1 335.448 0.638 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3=CCOCC3)[C@@H](O)C2)c1 ZINC001083422031 747176167 /nfs/dbraw/zinc/17/61/67/747176167.db2.gz CXSCCOZGVUEYFP-SJORKVTESA-N 1 1 327.384 0.566 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C3=CCOCC3)[C@@H](O)C2)c1 ZINC001083422031 747176170 /nfs/dbraw/zinc/17/61/70/747176170.db2.gz CXSCCOZGVUEYFP-SJORKVTESA-N 1 1 327.384 0.566 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@@H]2C1 ZINC001088066609 747189643 /nfs/dbraw/zinc/18/96/43/747189643.db2.gz RKGAKGPWXAXXHS-KGLIPLIRSA-N 1 1 348.447 0.531 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cccn2)nn1 ZINC001029506631 747198221 /nfs/dbraw/zinc/19/82/21/747198221.db2.gz UIORVTNONCRDDW-GASCZTMLSA-N 1 1 341.419 0.650 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cccn2)nn1 ZINC001029506631 747198226 /nfs/dbraw/zinc/19/82/26/747198226.db2.gz UIORVTNONCRDDW-GASCZTMLSA-N 1 1 341.419 0.650 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@@H]1CC ZINC000985046831 747300391 /nfs/dbraw/zinc/30/03/91/747300391.db2.gz CUCPKUDVUGJWPK-YVSFHVDLSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@@H]1CC ZINC000985046831 747300398 /nfs/dbraw/zinc/30/03/98/747300398.db2.gz CUCPKUDVUGJWPK-YVSFHVDLSA-N 1 1 347.459 0.759 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001002411238 747316175 /nfs/dbraw/zinc/31/61/75/747316175.db2.gz ZSSRSBPPUPQYDA-LSDHHAIUSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088125980 747439904 /nfs/dbraw/zinc/43/99/04/747439904.db2.gz JBTHWHYVSUXODZ-OAGGEKHMSA-N 1 1 338.473 0.615 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000979261773 747486013 /nfs/dbraw/zinc/48/60/13/747486013.db2.gz LCPGMIOVBWXZOK-INMHGKMJSA-N 1 1 340.427 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(=O)N(C)C)cn1 ZINC001098244198 752186250 /nfs/dbraw/zinc/18/62/50/752186250.db2.gz AOQCOFWUAYKCDC-YYQUZTFQSA-N 1 1 340.427 0.875 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(=O)N(C)C)cn1 ZINC001098244198 752186255 /nfs/dbraw/zinc/18/62/55/752186255.db2.gz AOQCOFWUAYKCDC-YYQUZTFQSA-N 1 1 340.427 0.875 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC001002572060 747522107 /nfs/dbraw/zinc/52/21/07/747522107.db2.gz SHQIQIDUEFJJLV-BBWFWOEESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC001002572060 747522114 /nfs/dbraw/zinc/52/21/14/747522114.db2.gz SHQIQIDUEFJJLV-BBWFWOEESA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979286685 747538555 /nfs/dbraw/zinc/53/85/55/747538555.db2.gz CQLPKLCFALTLOW-NHYWBVRUSA-N 1 1 343.391 0.034 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]2C1 ZINC001088169057 747583039 /nfs/dbraw/zinc/58/30/39/747583039.db2.gz FRVHLWRYGAODIE-KGLIPLIRSA-N 1 1 339.399 0.852 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CCCO3)CC2)C1=O ZINC000985246098 747594695 /nfs/dbraw/zinc/59/46/95/747594695.db2.gz OMKNIIPENOFLAV-CVEARBPZSA-N 1 1 335.448 0.875 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC001002637402 747600089 /nfs/dbraw/zinc/60/00/89/747600089.db2.gz ICCRSANHMFJKBI-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC001002637402 747600096 /nfs/dbraw/zinc/60/00/96/747600096.db2.gz ICCRSANHMFJKBI-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1ncc[nH]1 ZINC001002644038 747608078 /nfs/dbraw/zinc/60/80/78/747608078.db2.gz YWNOSPLHRHCLGS-GJZGRUSLSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1ncc[nH]1 ZINC001002644038 747608083 /nfs/dbraw/zinc/60/80/83/747608083.db2.gz YWNOSPLHRHCLGS-GJZGRUSLSA-N 1 1 343.431 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C)n(C)n2)C1=O ZINC001027779250 747610402 /nfs/dbraw/zinc/61/04/02/747610402.db2.gz VIGGGXGJLQXADW-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C)n(C)n2)C1=O ZINC001027779250 747610404 /nfs/dbraw/zinc/61/04/04/747610404.db2.gz VIGGGXGJLQXADW-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO CC(C)n1cc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 ZINC000979328422 747620370 /nfs/dbraw/zinc/62/03/70/747620370.db2.gz HGEISZBHYOSFHV-YOEHRIQHSA-N 1 1 345.447 0.978 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)NC)CC[C@@H]3C2)nc1 ZINC001088174400 747676684 /nfs/dbraw/zinc/67/66/84/747676684.db2.gz UZVMXEQHKGOWFH-BMFZPTHFSA-N 1 1 340.427 0.591 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088181778 747692353 /nfs/dbraw/zinc/69/23/53/747692353.db2.gz CEIZGZSIHBUPPB-YCPHGPKFSA-N 1 1 341.477 0.425 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)c(F)c1 ZINC001002722242 747698810 /nfs/dbraw/zinc/69/88/10/747698810.db2.gz LFCOUHAFPZUIOU-OAHLLOKOSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)c(F)c1 ZINC001002722241 747698898 /nfs/dbraw/zinc/69/88/98/747698898.db2.gz LFCOUHAFPZUIOU-HNNXBMFYSA-N 1 1 346.362 0.886 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]Cc3nnnn3C)C2)C1 ZINC000979373348 747699923 /nfs/dbraw/zinc/69/99/23/747699923.db2.gz DRNOXMRZEPJUCY-QWHCGFSZSA-N 1 1 334.424 0.272 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H](C)O)CC[C@@H]3C2)CC1 ZINC001088212044 747745677 /nfs/dbraw/zinc/74/56/77/747745677.db2.gz LXCLOAYZMPMTDC-NXHRZFHOSA-N 1 1 333.476 0.493 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@@H](C)O)CC[C@@H]3C2)CC1 ZINC001088212044 747745681 /nfs/dbraw/zinc/74/56/81/747745681.db2.gz LXCLOAYZMPMTDC-NXHRZFHOSA-N 1 1 333.476 0.493 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H](C)O)CC[C@@H]3C2)CC1 ZINC001088212044 747745687 /nfs/dbraw/zinc/74/56/87/747745687.db2.gz LXCLOAYZMPMTDC-NXHRZFHOSA-N 1 1 333.476 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccccn2)C1 ZINC000979412085 747765133 /nfs/dbraw/zinc/76/51/33/747765133.db2.gz QXRJFCHSTQFXSA-ZOBUZTSGSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccccn2)C1 ZINC000979412085 747765137 /nfs/dbraw/zinc/76/51/37/747765137.db2.gz QXRJFCHSTQFXSA-ZOBUZTSGSA-N 1 1 340.427 0.804 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)c1cnc(C#N)cn1 ZINC001112181186 747768631 /nfs/dbraw/zinc/76/86/31/747768631.db2.gz GJQJXRPZTQYVOF-UKRRQHHQSA-N 1 1 330.436 0.831 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)c1ccnc(C#N)n1 ZINC001112181794 747794860 /nfs/dbraw/zinc/79/48/60/747794860.db2.gz YPGUSRRNEXSGFE-KBPBESRZSA-N 1 1 330.436 0.831 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 ZINC001088233893 747800963 /nfs/dbraw/zinc/80/09/63/747800963.db2.gz CKFFTRHWFGRBRB-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001088235166 747815008 /nfs/dbraw/zinc/81/50/08/747815008.db2.gz LPOMAORUEHTVOL-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]Cc3cnon3)C2)cn1 ZINC000979435201 747831948 /nfs/dbraw/zinc/83/19/48/747831948.db2.gz UQYVKHSNDVMDIZ-WBMJQRKESA-N 1 1 341.371 0.465 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)n1C ZINC000988504880 752222729 /nfs/dbraw/zinc/22/27/29/752222729.db2.gz ZUVVEUAPQMJLGC-YPMHNXCESA-N 1 1 341.419 0.970 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC001088237425 747839209 /nfs/dbraw/zinc/83/92/09/747839209.db2.gz UAACXMONNXPKRS-HNNXBMFYSA-N 1 1 344.415 0.346 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001088237220 747841535 /nfs/dbraw/zinc/84/15/35/747841535.db2.gz NJJJEIVZNAPIQE-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccccc2O)C1 ZINC001002828409 747843291 /nfs/dbraw/zinc/84/32/91/747843291.db2.gz DQGQNLOSDNLLOU-INIZCTEOSA-N 1 1 341.411 0.678 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccccc2O)C1 ZINC001002828409 747843300 /nfs/dbraw/zinc/84/33/00/747843300.db2.gz DQGQNLOSDNLLOU-INIZCTEOSA-N 1 1 341.411 0.678 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cccn2CC)C1 ZINC001002835635 747857215 /nfs/dbraw/zinc/85/72/15/747857215.db2.gz MRIVVBGLDPWRGJ-INIZCTEOSA-N 1 1 342.443 0.794 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cccn2CC)C1 ZINC001002835635 747857218 /nfs/dbraw/zinc/85/72/18/747857218.db2.gz MRIVVBGLDPWRGJ-INIZCTEOSA-N 1 1 342.443 0.794 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCc2ccon2)C1 ZINC001002836124 747859042 /nfs/dbraw/zinc/85/90/42/747859042.db2.gz QYWFTAMWSXHYKD-INIZCTEOSA-N 1 1 344.415 0.279 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCc2ccon2)C1 ZINC001002836124 747859046 /nfs/dbraw/zinc/85/90/46/747859046.db2.gz QYWFTAMWSXHYKD-INIZCTEOSA-N 1 1 344.415 0.279 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000988501418 752219162 /nfs/dbraw/zinc/21/91/62/752219162.db2.gz MSIPEBSQSCIPMP-YPMHNXCESA-N 1 1 327.392 0.891 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@H](CCNc2ccnc(C#N)n2)C1 ZINC001111612822 747879084 /nfs/dbraw/zinc/87/90/84/747879084.db2.gz KWDHJUGRURWOLU-AWEZNQCLSA-N 1 1 330.436 0.762 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001002869019 747900274 /nfs/dbraw/zinc/90/02/74/747900274.db2.gz GETXFUILNFCMEW-DLBZAZTESA-N 1 1 329.444 0.991 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001002929573 747972391 /nfs/dbraw/zinc/97/23/91/747972391.db2.gz FWWAWEIKPXCHJD-CHWSQXEVSA-N 1 1 347.419 0.959 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cnsn3)C2)C1=O ZINC001029658566 747991485 /nfs/dbraw/zinc/99/14/85/747991485.db2.gz GKELMAYBLGBTRI-OCCSQVGLSA-N 1 1 349.460 0.719 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cc[nH]n3)C2)C1=O ZINC001029658709 747992113 /nfs/dbraw/zinc/99/21/13/747992113.db2.gz XMTVRLZALBIISH-UKRRQHHQSA-N 1 1 331.420 0.591 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001029658709 747992117 /nfs/dbraw/zinc/99/21/17/747992117.db2.gz XMTVRLZALBIISH-UKRRQHHQSA-N 1 1 331.420 0.591 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001029658709 747992120 /nfs/dbraw/zinc/99/21/20/747992120.db2.gz XMTVRLZALBIISH-UKRRQHHQSA-N 1 1 331.420 0.591 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+]2C[C@H]2CCc3ncnn32)c1 ZINC001027815637 748025637 /nfs/dbraw/zinc/02/56/37/748025637.db2.gz YKCSNLVXDPVMQR-ZIAGYGMSSA-N 1 1 339.403 0.860 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001029691123 748088011 /nfs/dbraw/zinc/08/80/11/748088011.db2.gz ATIYMCGOZLVESO-IUODEOHRSA-N 1 1 329.404 0.511 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001003041625 748108130 /nfs/dbraw/zinc/10/81/30/748108130.db2.gz GQEZUHHJTHXCIQ-KRWDZBQOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cncn2C)CC1 ZINC000985472993 748206143 /nfs/dbraw/zinc/20/61/43/748206143.db2.gz DDNWEBGWKGKVIB-SFHVURJKSA-N 1 1 343.475 0.941 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]2C1 ZINC000979714858 748272647 /nfs/dbraw/zinc/27/26/47/748272647.db2.gz QDHIMHNPTKODPP-SOUVJXGZSA-N 1 1 345.443 0.621 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001059553900 748309337 /nfs/dbraw/zinc/30/93/37/748309337.db2.gz AJUYCZITVMJJJU-QAPCUYQASA-N 1 1 348.447 0.873 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCCC2)c[nH]1 ZINC001027833210 748318652 /nfs/dbraw/zinc/31/86/52/748318652.db2.gz OAJLIIJDJXTJAJ-OAHLLOKOSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)c[nH]1 ZINC001027833210 748318664 /nfs/dbraw/zinc/31/86/64/748318664.db2.gz OAJLIIJDJXTJAJ-OAHLLOKOSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000985501666 748326958 /nfs/dbraw/zinc/32/69/58/748326958.db2.gz YURCJPYEGGHOIU-UHFFFAOYSA-N 1 1 327.406 0.649 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000979769383 748392492 /nfs/dbraw/zinc/39/24/92/748392492.db2.gz DIEARWASIMLGQZ-YRGRVCCFSA-N 1 1 329.404 0.463 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027836738 748406388 /nfs/dbraw/zinc/40/63/88/748406388.db2.gz WYMDXPWVPFSXPZ-HUUCEWRRSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027836738 748406390 /nfs/dbraw/zinc/40/63/90/748406390.db2.gz WYMDXPWVPFSXPZ-HUUCEWRRSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2ccccc2OCC(N)=O)CC1 ZINC000985533819 748426576 /nfs/dbraw/zinc/42/65/76/748426576.db2.gz XXXLVLLRIHROTR-UHFFFAOYSA-N 1 1 329.400 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cnco3)CC2)C1=O ZINC000985561286 748518882 /nfs/dbraw/zinc/51/88/82/748518882.db2.gz KVHVSEWVNLNSDV-AWEZNQCLSA-N 1 1 332.404 0.998 20 30 ECEDMO CCn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083425389 748624582 /nfs/dbraw/zinc/62/45/82/748624582.db2.gz JWDLSLFMPBKXSK-WBVHZDCISA-N 1 1 339.399 0.750 20 30 ECEDMO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083425389 748624589 /nfs/dbraw/zinc/62/45/89/748624589.db2.gz JWDLSLFMPBKXSK-WBVHZDCISA-N 1 1 339.399 0.750 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1=O ZINC001003628972 748742443 /nfs/dbraw/zinc/74/24/43/748742443.db2.gz VRXBOWIDRICGGN-DOTOQJQBSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1=O ZINC001003628972 748742447 /nfs/dbraw/zinc/74/24/47/748742447.db2.gz VRXBOWIDRICGGN-DOTOQJQBSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2[nH]cnc2CC)C1 ZINC001003651970 748764665 /nfs/dbraw/zinc/76/46/65/748764665.db2.gz YGLDCAACIFYGER-HNNXBMFYSA-N 1 1 343.431 0.258 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2[nH]cnc2CC)C1 ZINC001003651970 748764669 /nfs/dbraw/zinc/76/46/69/748764669.db2.gz YGLDCAACIFYGER-HNNXBMFYSA-N 1 1 343.431 0.258 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nc4ncc(C)cn4n3)C[C@@H]2C1 ZINC000980001013 748807376 /nfs/dbraw/zinc/80/73/76/748807376.db2.gz NPCLNCBYORRVOP-ZNMIVQPWSA-N 1 1 338.415 0.896 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)cc1F ZINC001027860902 748818082 /nfs/dbraw/zinc/81/80/82/748818082.db2.gz MXHBGNCZTIWYFH-HIFRSBDPSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)cc1F ZINC001027860902 748818088 /nfs/dbraw/zinc/81/80/88/748818088.db2.gz MXHBGNCZTIWYFH-HIFRSBDPSA-N 1 1 346.362 0.886 20 30 ECEDMO C#CCOc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)cc1 ZINC001003757806 748865796 /nfs/dbraw/zinc/86/57/96/748865796.db2.gz VJMGBMDFPRXBJG-QGZVFWFLSA-N 1 1 341.411 0.781 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCC2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC001003786483 748893638 /nfs/dbraw/zinc/89/36/38/748893638.db2.gz GALIHRPKJDBCOS-WFASDCNBSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnn(CC)n2)C1=O ZINC001027869637 748896971 /nfs/dbraw/zinc/89/69/71/748896971.db2.gz KKCZIYOAOZXOKF-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnn(CC)n2)C1=O ZINC001027869637 748896975 /nfs/dbraw/zinc/89/69/75/748896975.db2.gz KKCZIYOAOZXOKF-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3nc[nH]n3)CC2)C1=O ZINC000985710504 748922135 /nfs/dbraw/zinc/92/21/35/748922135.db2.gz XLYQOHYJQLTUCD-ZDUSSCGKSA-N 1 1 332.408 0.128 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001059645525 749085805 /nfs/dbraw/zinc/08/58/05/749085805.db2.gz DSTIRLYOORBBSD-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001059645423 749089237 /nfs/dbraw/zinc/08/92/37/749089237.db2.gz BLLRSODRCFOAQR-IAGOWNOFSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980205639 749181218 /nfs/dbraw/zinc/18/12/18/749181218.db2.gz CBQRDQFANZHLLW-OWCLPIDISA-N 1 1 343.427 0.916 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC000980205562 749181711 /nfs/dbraw/zinc/18/17/11/749181711.db2.gz DXZUNHQXISTEID-SOUVJXGZSA-N 1 1 348.447 0.673 20 30 ECEDMO C=CCC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccn[nH]3)CC2)CC1 ZINC000985827509 749190230 /nfs/dbraw/zinc/19/02/30/749190230.db2.gz ZELAMIXHPJOCFD-UHFFFAOYSA-N 1 1 346.435 0.481 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)C[C@H]2C1 ZINC000980201957 749194230 /nfs/dbraw/zinc/19/42/30/749194230.db2.gz BWUYLSJZJRHBQT-QEJZJMRPSA-N 1 1 328.416 0.967 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]2C1 ZINC000980213964 749207944 /nfs/dbraw/zinc/20/79/44/749207944.db2.gz YNXVGOGGZZBVDT-CFVMTHIKSA-N 1 1 328.416 0.967 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(C(=O)NC)n3)C[C@@H]2C1 ZINC000980234573 749216954 /nfs/dbraw/zinc/21/69/54/749216954.db2.gz XBMHUDOJENPAJV-RRFJBIMHSA-N 1 1 340.427 0.905 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccnc3C(N)=O)C[C@@H]2C1 ZINC000980248960 749240282 /nfs/dbraw/zinc/24/02/82/749240282.db2.gz XFRWCCKHWLLWOE-MJBXVCDLSA-N 1 1 326.400 0.644 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(N)=O)ccn3)C[C@@H]2C1 ZINC000980266231 749275293 /nfs/dbraw/zinc/27/52/93/749275293.db2.gz JHFJLUPCBGZNDG-ZNMIVQPWSA-N 1 1 326.400 0.644 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1=O ZINC001029877803 749330880 /nfs/dbraw/zinc/33/08/80/749330880.db2.gz WCXRYEZIMWDGFN-LSDHHAIUSA-N 1 1 345.447 0.519 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC000980296692 749336695 /nfs/dbraw/zinc/33/66/95/749336695.db2.gz SYSKKEJWZDAEAF-GFCCVEGCSA-N 1 1 327.816 0.175 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC000980296692 749336703 /nfs/dbraw/zinc/33/67/03/749336703.db2.gz SYSKKEJWZDAEAF-GFCCVEGCSA-N 1 1 327.816 0.175 20 30 ECEDMO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001059679254 749404852 /nfs/dbraw/zinc/40/48/52/749404852.db2.gz FJEZHUJBNXKTLC-OAHLLOKOSA-N 1 1 334.420 0.749 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COC[C@H]3CCOC3)C2)nn1 ZINC001098739719 749425657 /nfs/dbraw/zinc/42/56/57/749425657.db2.gz IKEOONUFKCXNKD-GOEBONIOSA-N 1 1 349.435 0.380 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@H]2CCC[N@H+]2Cc2nnnn2C)CC1 ZINC001004394680 749462404 /nfs/dbraw/zinc/46/24/04/749462404.db2.gz HEDXRFDPODEUIS-GXTWGEPZSA-N 1 1 331.424 0.573 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001004405941 749471445 /nfs/dbraw/zinc/47/14/45/749471445.db2.gz IOAQSSYXYLWNBT-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1)C2 ZINC001004440424 749498897 /nfs/dbraw/zinc/49/88/97/749498897.db2.gz DQCUDGALOJSSAK-FZMZJTMJSA-N 1 1 329.404 0.488 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004460154 749527198 /nfs/dbraw/zinc/52/71/98/749527198.db2.gz XNULALKNDTVKFE-ROUUACIJSA-N 1 1 333.476 0.779 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)CC[C@@H]3C2)C1 ZINC000986129211 749594422 /nfs/dbraw/zinc/59/44/22/749594422.db2.gz LSTIJHMBWPPLMQ-IKGGRYGDSA-N 1 1 329.444 0.658 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001004547030 749608713 /nfs/dbraw/zinc/60/87/13/749608713.db2.gz KRLDFLOKFBZYMJ-HRCADAONSA-N 1 1 335.448 0.908 20 30 ECEDMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000986181111 749639825 /nfs/dbraw/zinc/63/98/25/749639825.db2.gz FVERISUCWLCZFX-ZWNOBZJWSA-N 1 1 340.391 0.601 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000986188897 749646976 /nfs/dbraw/zinc/64/69/76/749646976.db2.gz VCEVSYUSVMPYLP-BXUZGUMPSA-N 1 1 342.407 0.676 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058846771 750118213 /nfs/dbraw/zinc/11/82/13/750118213.db2.gz FOWSRNURSCYDST-CVEARBPZSA-N 1 1 337.464 0.315 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058847378 750126323 /nfs/dbraw/zinc/12/63/23/750126323.db2.gz QSWIBJBQXSLRJZ-CVEARBPZSA-N 1 1 339.480 0.868 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001027977198 750135540 /nfs/dbraw/zinc/13/55/40/750135540.db2.gz OJOJEHWFMJZHQX-ZDUSSCGKSA-N 1 1 327.388 0.955 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001058848489 750159124 /nfs/dbraw/zinc/15/91/24/750159124.db2.gz GIISDXCGACYLJC-CABCVRRESA-N 1 1 337.464 0.478 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3c[nH]c(C)n3)CC2)C1=O ZINC000980843032 750251281 /nfs/dbraw/zinc/25/12/81/750251281.db2.gz RCSWXLGKHQUWKM-HNNXBMFYSA-N 1 1 331.420 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3c[nH]c(C)n3)CC2)C1=O ZINC000980843032 750251284 /nfs/dbraw/zinc/25/12/84/750251284.db2.gz RCSWXLGKHQUWKM-HNNXBMFYSA-N 1 1 331.420 0.653 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[N@H+](CCc2nnn(C(C)(C)C)n2)CC1 ZINC000980848900 750259315 /nfs/dbraw/zinc/25/93/15/750259315.db2.gz DOMYZVOZMPCJDJ-CYBMUJFWSA-N 1 1 333.440 0.665 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[N@@H+](CCc2nnn(C(C)(C)C)n2)CC1 ZINC000980848900 750259319 /nfs/dbraw/zinc/25/93/19/750259319.db2.gz DOMYZVOZMPCJDJ-CYBMUJFWSA-N 1 1 333.440 0.665 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001027994673 750264835 /nfs/dbraw/zinc/26/48/35/750264835.db2.gz SWKRMZUXSVYAJA-NSHDSACASA-N 1 1 327.406 0.697 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[N@@H+](C[C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000980917788 750353932 /nfs/dbraw/zinc/35/39/32/750353932.db2.gz YYYPYWIJGGOFTB-AWEZNQCLSA-N 1 1 343.431 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccco2)C1 ZINC001005597835 750436399 /nfs/dbraw/zinc/43/63/99/750436399.db2.gz CYYUWOASAUBVLQ-ZFWWWQNUSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccco2)C1 ZINC001005597835 750436401 /nfs/dbraw/zinc/43/64/01/750436401.db2.gz CYYUWOASAUBVLQ-ZFWWWQNUSA-N 1 1 329.400 0.954 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC000991605146 762046127 /nfs/dbraw/zinc/04/61/27/762046127.db2.gz CYQZOEBXJHPNAX-ZIAGYGMSSA-N 1 1 334.420 0.482 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)n1 ZINC001028078834 750547229 /nfs/dbraw/zinc/54/72/29/750547229.db2.gz SUEKQEAUKMTQLX-JTQLQIEISA-N 1 1 331.405 0.538 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)n1 ZINC001028078834 750547234 /nfs/dbraw/zinc/54/72/34/750547234.db2.gz SUEKQEAUKMTQLX-JTQLQIEISA-N 1 1 331.405 0.538 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cn(C)nn3)[C@@H]2C)nn1 ZINC000987166658 750561100 /nfs/dbraw/zinc/56/11/00/750561100.db2.gz IBFXHTFQAFTTPO-JSGCOSHPSA-N 1 1 344.423 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nnc(C)o2)CC1 ZINC000981361645 750625623 /nfs/dbraw/zinc/62/56/23/750625623.db2.gz WXCCIXVROGDOMZ-HNNXBMFYSA-N 1 1 331.420 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nnc(C)o2)CC1 ZINC000981361645 750625626 /nfs/dbraw/zinc/62/56/26/750625626.db2.gz WXCCIXVROGDOMZ-HNNXBMFYSA-N 1 1 331.420 0.510 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001005867393 750745929 /nfs/dbraw/zinc/74/59/29/750745929.db2.gz RPMMVWPQUBIEDB-WCQYABFASA-N 1 1 329.404 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2coc(C)n2)C1 ZINC001005971665 750868499 /nfs/dbraw/zinc/86/84/99/750868499.db2.gz OPNJFSYXADDPRN-LRDDRELGSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2coc(C)n2)C1 ZINC001005971665 750868508 /nfs/dbraw/zinc/86/85/08/750868508.db2.gz OPNJFSYXADDPRN-LRDDRELGSA-N 1 1 344.415 0.657 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000987546530 750943878 /nfs/dbraw/zinc/94/38/78/750943878.db2.gz GJPHDZHUGYIIGZ-OCCSQVGLSA-N 1 1 340.387 0.811 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000987533562 750946498 /nfs/dbraw/zinc/94/64/98/750946498.db2.gz XPQRFJSRLGHLGG-IPYPFGDCSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC000981672012 750952243 /nfs/dbraw/zinc/95/22/43/750952243.db2.gz LVCRAKTVUFSCSA-ZIAGYGMSSA-N 1 1 339.461 0.505 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC000981672012 750952245 /nfs/dbraw/zinc/95/22/45/750952245.db2.gz LVCRAKTVUFSCSA-ZIAGYGMSSA-N 1 1 339.461 0.505 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001006127157 751048205 /nfs/dbraw/zinc/04/82/05/751048205.db2.gz LOOIVAOOQCSSMR-XHSDSOJGSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001059821071 751095299 /nfs/dbraw/zinc/09/52/99/751095299.db2.gz LEMQYBBQXICBKO-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)CSC)C1 ZINC000987727051 751119520 /nfs/dbraw/zinc/11/95/20/751119520.db2.gz LKFCWOOODVUFRH-GJZGRUSLSA-N 1 1 337.489 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)CSC)C1 ZINC000987727051 751119525 /nfs/dbraw/zinc/11/95/25/751119525.db2.gz LKFCWOOODVUFRH-GJZGRUSLSA-N 1 1 337.489 0.754 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]c(=O)cn3)CC2)cc1 ZINC000981838019 751168968 /nfs/dbraw/zinc/16/89/68/751168968.db2.gz JWHJSSULIRMXEY-UHFFFAOYSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c[nH]c(=O)cn3)CC2)cc1 ZINC000981838019 751168970 /nfs/dbraw/zinc/16/89/70/751168970.db2.gz JWHJSSULIRMXEY-UHFFFAOYSA-N 1 1 337.383 0.990 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC000981847286 751190214 /nfs/dbraw/zinc/19/02/14/751190214.db2.gz YHAAHHBDNFZNGH-UHFFFAOYSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)CCc3c(C)nc[nH]c3=O)C2)C1 ZINC000981868166 751221177 /nfs/dbraw/zinc/22/11/77/751221177.db2.gz VURFZYUDOKBLJI-UHFFFAOYSA-N 1 1 328.416 0.981 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000981878005 751238249 /nfs/dbraw/zinc/23/82/49/751238249.db2.gz MCKQDZQQMPPHGC-OAHLLOKOSA-N 1 1 332.448 0.725 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000981878718 751238901 /nfs/dbraw/zinc/23/89/01/751238901.db2.gz VDAMZDPKBLAHGZ-HNNXBMFYSA-N 1 1 332.448 0.725 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccc[nH]2)C1 ZINC001006318353 751240546 /nfs/dbraw/zinc/24/05/46/751240546.db2.gz HWUPMIZLNRUSPF-CJNGLKHVSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccc[nH]2)C1 ZINC001006318353 751240550 /nfs/dbraw/zinc/24/05/50/751240550.db2.gz HWUPMIZLNRUSPF-CJNGLKHVSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cscn2)C1 ZINC001006318935 751241037 /nfs/dbraw/zinc/24/10/37/751241037.db2.gz KDKYUOIRHYZJJF-DOMZBBRYSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cscn2)C1 ZINC001006318935 751241042 /nfs/dbraw/zinc/24/10/42/751241042.db2.gz KDKYUOIRHYZJJF-DOMZBBRYSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CCOC2)C1 ZINC001006322433 751245038 /nfs/dbraw/zinc/24/50/38/751245038.db2.gz UUFQLWIIQVUAAN-FMKPAKJESA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CCOC2)C1 ZINC001006322433 751245044 /nfs/dbraw/zinc/24/50/44/751245044.db2.gz UUFQLWIIQVUAAN-FMKPAKJESA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cncs2)C1 ZINC001006323806 751245640 /nfs/dbraw/zinc/24/56/40/751245640.db2.gz ZTKSXIAIGFKPAB-JSGCOSHPSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cncs2)C1 ZINC001006323806 751245642 /nfs/dbraw/zinc/24/56/42/751245642.db2.gz ZTKSXIAIGFKPAB-JSGCOSHPSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901159 751257076 /nfs/dbraw/zinc/25/70/76/751257076.db2.gz CKSIZOFQZUCWDC-OHTSDLOESA-N 1 1 343.471 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cncn2C)C1 ZINC001006354893 751283231 /nfs/dbraw/zinc/28/32/31/751283231.db2.gz CXGQWBAUQGDKKX-HIFRSBDPSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cncn2C)C1 ZINC001006354893 751283235 /nfs/dbraw/zinc/28/32/35/751283235.db2.gz CXGQWBAUQGDKKX-HIFRSBDPSA-N 1 1 343.431 0.094 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1=O ZINC000981953151 751326496 /nfs/dbraw/zinc/32/64/96/751326496.db2.gz HAVJQVLAJREWAN-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)[C@H]1C ZINC001088603656 752306154 /nfs/dbraw/zinc/30/61/54/752306154.db2.gz SWKAUBMPBLJZRW-CJNGLKHVSA-N 1 1 329.400 0.767 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001028335749 752411583 /nfs/dbraw/zinc/41/15/83/752411583.db2.gz APTOJRQJCUDBDO-ZDUSSCGKSA-N 1 1 334.424 0.137 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2[C@@H]2CCCNC2=O)CC1 ZINC001028333809 752413126 /nfs/dbraw/zinc/41/31/26/752413126.db2.gz RHQRJYKTFDJKOD-IAGOWNOFSA-N 1 1 346.475 0.191 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCC(=O)NCC)C2)nn1 ZINC001105365471 752446437 /nfs/dbraw/zinc/44/64/37/752446437.db2.gz VFCPQWSJBXFCAP-UHFFFAOYSA-N 1 1 334.424 0.243 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC)[C@@H]2C1 ZINC001021027861 752450921 /nfs/dbraw/zinc/45/09/21/752450921.db2.gz BDWBPJHIUPNZGP-SOUVJXGZSA-N 1 1 335.473 0.506 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC)[C@@H]2C1 ZINC001021027861 752450924 /nfs/dbraw/zinc/45/09/24/752450924.db2.gz BDWBPJHIUPNZGP-SOUVJXGZSA-N 1 1 335.473 0.506 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001059911345 752457166 /nfs/dbraw/zinc/45/71/66/752457166.db2.gz JFQJCLLVFFFSOH-HOCLYGCPSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001059911345 752457170 /nfs/dbraw/zinc/45/71/70/752457170.db2.gz JFQJCLLVFFFSOH-HOCLYGCPSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001059911827 752459947 /nfs/dbraw/zinc/45/99/47/752459947.db2.gz QCAUCBOOSJCRMQ-UONOGXRCSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001059911827 752459951 /nfs/dbraw/zinc/45/99/51/752459951.db2.gz QCAUCBOOSJCRMQ-UONOGXRCSA-N 1 1 344.419 0.011 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000988650264 752469889 /nfs/dbraw/zinc/46/98/89/752469889.db2.gz DTIJIRJMZVSMRI-DGCLKSJQSA-N 1 1 327.392 0.891 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001059911890 752474286 /nfs/dbraw/zinc/47/42/86/752474286.db2.gz RNYUZBPCIBWLBF-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001059911890 752474293 /nfs/dbraw/zinc/47/42/93/752474293.db2.gz RNYUZBPCIBWLBF-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001028391779 752529580 /nfs/dbraw/zinc/52/95/80/752529580.db2.gz LVDWNWODZHYSJI-HOCLYGCPSA-N 1 1 344.415 0.159 20 30 ECEDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000982504285 752603674 /nfs/dbraw/zinc/60/36/74/752603674.db2.gz URFVWFCGZIMYKH-IYBDPMFKSA-N 1 1 332.429 0.775 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001075918729 752627218 /nfs/dbraw/zinc/62/72/18/752627218.db2.gz CTVUPHNEOHJUCF-ZFWWWQNUSA-N 1 1 348.447 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nccs2)[C@@H]1C ZINC000988737615 752639740 /nfs/dbraw/zinc/63/97/40/752639740.db2.gz COJAOFOMQCLROP-RDBSUJKOSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nccs2)[C@@H]1C ZINC000988737615 752639743 /nfs/dbraw/zinc/63/97/43/752639743.db2.gz COJAOFOMQCLROP-RDBSUJKOSA-N 1 1 346.456 0.960 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)C3=COCCC3)C2)C1=O ZINC001028445453 752673414 /nfs/dbraw/zinc/67/34/14/752673414.db2.gz QIKQEORXNSHNLP-GDBMZVCRSA-N 1 1 333.432 0.906 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001021235348 752687902 /nfs/dbraw/zinc/68/79/02/752687902.db2.gz DYXDELMCAUWYOW-VBNZEHGJSA-N 1 1 341.415 0.653 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001212081197 752704865 /nfs/dbraw/zinc/70/48/65/752704865.db2.gz IMEIVSGYMQSJCW-CHWSQXEVSA-N 1 1 342.346 0.597 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001212081197 752704870 /nfs/dbraw/zinc/70/48/70/752704870.db2.gz IMEIVSGYMQSJCW-CHWSQXEVSA-N 1 1 342.346 0.597 20 30 ECEDMO COCCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccncc1C#N ZINC001126372419 752793096 /nfs/dbraw/zinc/79/30/96/752793096.db2.gz DWHHBNQRSNFMOK-HNNXBMFYSA-N 1 1 345.447 0.864 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486463 752821709 /nfs/dbraw/zinc/82/17/09/752821709.db2.gz GFBJSJQUHCIEPQ-VXGBXAGGSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028486486 752822125 /nfs/dbraw/zinc/82/21/25/752822125.db2.gz GNKLJEXAKXLWOB-CJNGLKHVSA-N 1 1 341.415 0.725 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028488754 752824844 /nfs/dbraw/zinc/82/48/44/752824844.db2.gz HJLHHFTXPJCXOP-AWEZNQCLSA-N 1 1 341.419 0.847 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001083456055 752840072 /nfs/dbraw/zinc/84/00/72/752840072.db2.gz DZTYCWKGSREQLB-CVEARBPZSA-N 1 1 327.388 0.213 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001083456055 752840078 /nfs/dbraw/zinc/84/00/78/752840078.db2.gz DZTYCWKGSREQLB-CVEARBPZSA-N 1 1 327.388 0.213 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000982547738 752862896 /nfs/dbraw/zinc/86/28/96/752862896.db2.gz QEBALMVGGMLLAT-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@@H](O)C1 ZINC001083458299 752867447 /nfs/dbraw/zinc/86/74/47/752867447.db2.gz GYVZUNMWGNHGKQ-CVEARBPZSA-N 1 1 336.436 0.579 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001059930241 752890963 /nfs/dbraw/zinc/89/09/63/752890963.db2.gz AHBQPZABKODPJC-UONOGXRCSA-N 1 1 328.420 0.633 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3coc(C)n3)C2)C1=O ZINC001028500001 752917695 /nfs/dbraw/zinc/91/76/95/752917695.db2.gz OBOFZCMFVPOHKG-DZGCQCFKSA-N 1 1 332.404 0.822 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@@]2(C)C1 ZINC000982579556 752975350 /nfs/dbraw/zinc/97/53/50/752975350.db2.gz DPNJFEZUOSMFQX-OLMNPRSZSA-N 1 1 342.447 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000982590975 752989071 /nfs/dbraw/zinc/98/90/71/752989071.db2.gz PPKZSWOJNBPKEB-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000982590975 752989074 /nfs/dbraw/zinc/98/90/74/752989074.db2.gz PPKZSWOJNBPKEB-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C[NH+]=C(NC[C@H](C)N1CCN(C)CC1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261732897 752990475 /nfs/dbraw/zinc/99/04/75/752990475.db2.gz KIFRHSKPWLWPHQ-ZNMIVQPWSA-N 1 1 325.501 0.601 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3nccc(C)n3)C2)C1=O ZINC001028511137 752994280 /nfs/dbraw/zinc/99/42/80/752994280.db2.gz ILKDUVXLAVRVDF-LSDHHAIUSA-N 1 1 343.431 0.624 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001028519985 753048080 /nfs/dbraw/zinc/04/80/80/753048080.db2.gz WZHNSPNKFIGUOY-HUUCEWRRSA-N 1 1 328.372 0.605 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028536734 753096451 /nfs/dbraw/zinc/09/64/51/753096451.db2.gz WTDRVFKQRSRNKC-ZIAGYGMSSA-N 1 1 331.420 0.777 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000988986983 753118303 /nfs/dbraw/zinc/11/83/03/753118303.db2.gz CIXSEYWHKKJVNN-OCCSQVGLSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2CC(OC)C2)C1 ZINC000989044618 753171521 /nfs/dbraw/zinc/17/15/21/753171521.db2.gz FPLNCAUFEZOUBQ-XGHPGWEVSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2CC(OC)C2)C1 ZINC000989044618 753171528 /nfs/dbraw/zinc/17/15/28/753171528.db2.gz FPLNCAUFEZOUBQ-XGHPGWEVSA-N 1 1 347.459 0.616 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001008051966 753243391 /nfs/dbraw/zinc/24/33/91/753243391.db2.gz IVSZQIQQGMVHNX-CYBMUJFWSA-N 1 1 325.376 0.275 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001008051966 753243398 /nfs/dbraw/zinc/24/33/98/753243398.db2.gz IVSZQIQQGMVHNX-CYBMUJFWSA-N 1 1 325.376 0.275 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC000982672952 753261857 /nfs/dbraw/zinc/26/18/57/753261857.db2.gz ZSIVXYILLUKBOY-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC000982672952 753261865 /nfs/dbraw/zinc/26/18/65/753261865.db2.gz ZSIVXYILLUKBOY-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000982682131 753291653 /nfs/dbraw/zinc/29/16/53/753291653.db2.gz WNWRHCCGWJRFSS-SJORKVTESA-N 1 1 343.427 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000982682131 753291659 /nfs/dbraw/zinc/29/16/59/753291659.db2.gz WNWRHCCGWJRFSS-SJORKVTESA-N 1 1 343.427 0.884 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC001051494292 762205468 /nfs/dbraw/zinc/20/54/68/762205468.db2.gz HDSRIKFKJZRVRS-MNOVXSKESA-N 1 1 325.800 0.550 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2noc3c2COCC3)C1 ZINC001051494836 762206185 /nfs/dbraw/zinc/20/61/85/762206185.db2.gz NRAZERMQSYURDZ-VXGBXAGGSA-N 1 1 334.376 0.224 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1=O ZINC001028583514 753405159 /nfs/dbraw/zinc/40/51/59/753405159.db2.gz WLBIONNBDHLGFB-IAGOWNOFSA-N 1 1 340.427 0.975 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@]2(C)C1 ZINC000982727304 753425536 /nfs/dbraw/zinc/42/55/36/753425536.db2.gz FEVUEOLCOIRVFY-CALCHBBNSA-N 1 1 346.387 0.314 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)cc1 ZINC001008179850 753430010 /nfs/dbraw/zinc/43/00/10/753430010.db2.gz XYOBYHDLHHVHHM-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C)n3)C2)nn1 ZINC001105372386 753674359 /nfs/dbraw/zinc/67/43/59/753674359.db2.gz COGWJPXDFKBKDT-UHFFFAOYSA-N 1 1 345.407 0.001 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083368227 753703946 /nfs/dbraw/zinc/70/39/46/753703946.db2.gz HBNUMYXOMZJDEZ-IKGGRYGDSA-N 1 1 328.416 0.314 20 30 ECEDMO C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)Cc1ncn[nH]1)CCO2 ZINC001105485424 753720221 /nfs/dbraw/zinc/72/02/21/753720221.db2.gz HJISIJPSOAFOBS-UHFFFAOYSA-N 1 1 331.420 0.500 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001008416170 753723583 /nfs/dbraw/zinc/72/35/83/753723583.db2.gz GLZUDXBGUWIPQM-HNNXBMFYSA-N 1 1 348.447 0.865 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001008416170 753723585 /nfs/dbraw/zinc/72/35/85/753723585.db2.gz GLZUDXBGUWIPQM-HNNXBMFYSA-N 1 1 348.447 0.865 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001028593800 753764071 /nfs/dbraw/zinc/76/40/71/753764071.db2.gz UJNARUWRJXKJDM-ZFWWWQNUSA-N 1 1 344.415 0.531 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001028593952 753769499 /nfs/dbraw/zinc/76/94/99/753769499.db2.gz XTFBCXULJFXZPZ-CQSZACIVSA-N 1 1 339.461 0.770 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001028593952 753769505 /nfs/dbraw/zinc/76/95/05/753769505.db2.gz XTFBCXULJFXZPZ-CQSZACIVSA-N 1 1 339.461 0.770 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001105558108 753829117 /nfs/dbraw/zinc/82/91/17/753829117.db2.gz MHMKHTLCFXFYKZ-ZDUSSCGKSA-N 1 1 330.436 0.893 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001008516318 753847099 /nfs/dbraw/zinc/84/70/99/753847099.db2.gz HNOJETADPWXYKN-HRCADAONSA-N 1 1 335.448 0.923 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)c2ccnc(C#N)n2)CC[N@H+]1C ZINC001105582228 753862550 /nfs/dbraw/zinc/86/25/50/753862550.db2.gz QKNKRULTZSTQCO-UONOGXRCSA-N 1 1 330.436 0.973 20 30 ECEDMO CN(CCN(C)c1ncccc1C#N)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583298 753864519 /nfs/dbraw/zinc/86/45/19/753864519.db2.gz RHYOPENMFFODTB-HOTGVXAUSA-N 1 1 343.431 0.711 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F ZINC001008546696 753897893 /nfs/dbraw/zinc/89/78/93/753897893.db2.gz KWFFUOZTEQULLE-KFWWJZLASA-N 1 1 344.390 0.899 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F ZINC001008546696 753897900 /nfs/dbraw/zinc/89/79/00/753897900.db2.gz KWFFUOZTEQULLE-KFWWJZLASA-N 1 1 344.390 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nncs2)C1 ZINC001028604201 753903130 /nfs/dbraw/zinc/90/31/30/753903130.db2.gz RRWWGXFFGCRNCA-KBPBESRZSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nncs2)C1 ZINC001028604201 753903133 /nfs/dbraw/zinc/90/31/33/753903133.db2.gz RRWWGXFFGCRNCA-KBPBESRZSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ncccc1C#N ZINC001105599043 753966828 /nfs/dbraw/zinc/96/68/28/753966828.db2.gz CZSQQMMZSLQJRA-INIZCTEOSA-N 1 1 325.416 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ncccc1C#N ZINC001105599043 753966832 /nfs/dbraw/zinc/96/68/32/753966832.db2.gz CZSQQMMZSLQJRA-INIZCTEOSA-N 1 1 325.416 0.945 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982864681 754028217 /nfs/dbraw/zinc/02/82/17/754028217.db2.gz WBXYOEUHZVBKRE-XWIAVFTESA-N 1 1 333.432 0.786 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCn3cc(Cl)cn3)C2)nn1 ZINC001105376936 754065206 /nfs/dbraw/zinc/06/52/06/754065206.db2.gz LZLYDFORXHBURQ-UHFFFAOYSA-N 1 1 349.826 0.877 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)[nH]3)C[C@H]2C)nn1 ZINC000989543304 754091238 /nfs/dbraw/zinc/09/12/38/754091238.db2.gz KHHJXQWORWVXLU-DGCLKSJQSA-N 1 1 344.423 0.674 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cn(C)nn3)C[C@@H]2C)nn1 ZINC000989543515 754092280 /nfs/dbraw/zinc/09/22/80/754092280.db2.gz LTSRZEOJTYGIDC-STQMWFEESA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCn3cccn3)C2)nn1 ZINC001008792898 754123787 /nfs/dbraw/zinc/12/37/87/754123787.db2.gz GTPXTVCCWHBOQN-AWEZNQCLSA-N 1 1 329.408 0.555 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnns2)C1 ZINC000982920616 754199212 /nfs/dbraw/zinc/19/92/12/754199212.db2.gz DSBCSSADTDSBRT-STQMWFEESA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnns2)C1 ZINC000982920616 754199213 /nfs/dbraw/zinc/19/92/13/754199213.db2.gz DSBCSSADTDSBRT-STQMWFEESA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC000982922029 754204087 /nfs/dbraw/zinc/20/40/87/754204087.db2.gz JGCYGDSNAFUPHV-HIFRSBDPSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC000982922029 754204093 /nfs/dbraw/zinc/20/40/93/754204093.db2.gz JGCYGDSNAFUPHV-HIFRSBDPSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC000982924722 754212297 /nfs/dbraw/zinc/21/22/97/754212297.db2.gz ZNPHMGWYZDALRW-RDJZCZTQSA-N 1 1 345.443 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC000982924722 754212303 /nfs/dbraw/zinc/21/23/03/754212303.db2.gz ZNPHMGWYZDALRW-RDJZCZTQSA-N 1 1 345.443 0.395 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000982959722 754285842 /nfs/dbraw/zinc/28/58/42/754285842.db2.gz UCZHNQNHPHJQBA-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001008911887 754299962 /nfs/dbraw/zinc/29/99/62/754299962.db2.gz WRALSAQIMQRNKL-XQLPTFJDSA-N 1 1 335.448 0.350 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001008911887 754299970 /nfs/dbraw/zinc/29/99/70/754299970.db2.gz WRALSAQIMQRNKL-XQLPTFJDSA-N 1 1 335.448 0.350 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNc1nc(Cl)c(C#N)s1 ZINC001105869272 762302919 /nfs/dbraw/zinc/30/29/19/762302919.db2.gz OOLAUNVRUMSUMD-SECBINFHSA-N 1 1 345.856 0.897 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105377168 754500328 /nfs/dbraw/zinc/50/03/28/754500328.db2.gz RXVZDCDKUAWFJD-KRWDZBQOSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001009105692 754541402 /nfs/dbraw/zinc/54/14/02/754541402.db2.gz CMMCILCQJGYAKO-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001009105692 754541407 /nfs/dbraw/zinc/54/14/07/754541407.db2.gz CMMCILCQJGYAKO-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001009105693 754541459 /nfs/dbraw/zinc/54/14/59/754541459.db2.gz CMMCILCQJGYAKO-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001009105693 754541463 /nfs/dbraw/zinc/54/14/63/754541463.db2.gz CMMCILCQJGYAKO-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001009115637 754548570 /nfs/dbraw/zinc/54/85/70/754548570.db2.gz FKLCZDXYLASUNQ-LVQVYYBASA-N 1 1 349.475 0.740 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001009115637 754548574 /nfs/dbraw/zinc/54/85/74/754548574.db2.gz FKLCZDXYLASUNQ-LVQVYYBASA-N 1 1 349.475 0.740 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001105872970 762318431 /nfs/dbraw/zinc/31/84/31/762318431.db2.gz GOXYORWWUYGYNW-CABCVRRESA-N 1 1 331.420 0.717 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001028673276 754574100 /nfs/dbraw/zinc/57/41/00/754574100.db2.gz VLMNMAFXEJLYQH-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1[C@H]2CN(C(=O)/C(C)=C\C)C[C@@H]12 ZINC001009188705 754630590 /nfs/dbraw/zinc/63/05/90/754630590.db2.gz GGYVZPFLALIDFH-VFXUZBQBSA-N 1 1 329.444 0.871 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1[C@H]2CN(C(=O)/C(C)=C\C)C[C@@H]12 ZINC001009188705 754630595 /nfs/dbraw/zinc/63/05/95/754630595.db2.gz GGYVZPFLALIDFH-VFXUZBQBSA-N 1 1 329.444 0.871 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001009205364 754651682 /nfs/dbraw/zinc/65/16/82/754651682.db2.gz OPPUYVIIARYPOP-DGXTUMSLSA-N 1 1 349.475 0.738 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001009205364 754651686 /nfs/dbraw/zinc/65/16/86/754651686.db2.gz OPPUYVIIARYPOP-DGXTUMSLSA-N 1 1 349.475 0.738 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc1 ZINC001009265678 754722472 /nfs/dbraw/zinc/72/24/72/754722472.db2.gz XBIRISNQHNZNGQ-HOTGVXAUSA-N 1 1 326.400 0.917 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC001009269801 754726629 /nfs/dbraw/zinc/72/66/29/754726629.db2.gz PSHZSJDJNBPJHA-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC001009269801 754726631 /nfs/dbraw/zinc/72/66/31/754726631.db2.gz PSHZSJDJNBPJHA-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000990124205 754746056 /nfs/dbraw/zinc/74/60/56/754746056.db2.gz JCCUVPTZZYYOEQ-WCVJEAGWSA-N 1 1 346.431 0.888 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1)c1ncccn1 ZINC001051556507 762333366 /nfs/dbraw/zinc/33/33/66/762333366.db2.gz WFHYDFRTKQRKPK-GXTWGEPZSA-N 1 1 340.387 0.868 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059099337 754782385 /nfs/dbraw/zinc/78/23/85/754782385.db2.gz CTGAQZGFCQPGMP-KBPBESRZSA-N 1 1 328.420 0.657 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001028712011 754793918 /nfs/dbraw/zinc/79/39/18/754793918.db2.gz JFJRKWLVVOYOII-MSOLQXFVSA-N 1 1 333.476 0.949 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001028713426 754804356 /nfs/dbraw/zinc/80/43/56/754804356.db2.gz LCUXXMYDDOVYBK-ZDUSSCGKSA-N 1 1 325.376 0.132 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070012999 790323288 /nfs/dbraw/zinc/32/32/88/790323288.db2.gz ZHAOWYOIUDHHOK-KSZLIROESA-N 1 1 335.411 0.983 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)C1=O ZINC000990165191 754809876 /nfs/dbraw/zinc/80/98/76/754809876.db2.gz VXXSFNAFAIIYGS-DAYGRLMNSA-N 1 1 341.415 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000983188816 754821210 /nfs/dbraw/zinc/82/12/10/754821210.db2.gz NAEOJEWWZNIQGF-GJZGRUSLSA-N 1 1 343.431 0.015 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000983188816 754821215 /nfs/dbraw/zinc/82/12/15/754821215.db2.gz NAEOJEWWZNIQGF-GJZGRUSLSA-N 1 1 343.431 0.015 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001009418134 754865692 /nfs/dbraw/zinc/86/56/92/754865692.db2.gz LZPJMSLJTUGVJT-CYBMUJFWSA-N 1 1 336.436 0.864 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)[nH]1 ZINC001075696594 754915867 /nfs/dbraw/zinc/91/58/67/754915867.db2.gz KSEUSHNXRAPYEU-SWLSCSKDSA-N 1 1 325.376 0.324 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028735427 754917195 /nfs/dbraw/zinc/91/71/95/754917195.db2.gz MJIGSELSYCBXRI-CZUORRHYSA-N 1 1 326.400 0.632 20 30 ECEDMO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1=O ZINC001028742681 754950392 /nfs/dbraw/zinc/95/03/92/754950392.db2.gz ZRTKCEGGTMQTJK-SJORKVTESA-N 1 1 340.427 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cc(C)nc(CO)n2)C1 ZINC001059106265 754953165 /nfs/dbraw/zinc/95/31/65/754953165.db2.gz HGTULDPEIQAPBF-GJZGRUSLSA-N 1 1 343.431 0.388 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cc(C)nc(CO)n2)C1 ZINC001059106265 754953168 /nfs/dbraw/zinc/95/31/68/754953168.db2.gz HGTULDPEIQAPBF-GJZGRUSLSA-N 1 1 343.431 0.388 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)cn3)C2)O1 ZINC001059109081 755035631 /nfs/dbraw/zinc/03/56/31/755035631.db2.gz ZAWSKCBMFLIDCK-VHDGCEQUSA-N 1 1 329.404 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)cn3)C2)O1 ZINC001059109081 755035632 /nfs/dbraw/zinc/03/56/32/755035632.db2.gz ZAWSKCBMFLIDCK-VHDGCEQUSA-N 1 1 329.404 0.685 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CSC)C1 ZINC001059109641 755052053 /nfs/dbraw/zinc/05/20/53/755052053.db2.gz GHRDPFXEUYKATH-GJZGRUSLSA-N 1 1 337.489 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CSC)C1 ZINC001059109641 755052055 /nfs/dbraw/zinc/05/20/55/755052055.db2.gz GHRDPFXEUYKATH-GJZGRUSLSA-N 1 1 337.489 0.802 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@](C)(NC(C)=O)C(C)C)C2)nn1 ZINC001105378607 755127962 /nfs/dbraw/zinc/12/79/62/755127962.db2.gz GUJKKZUOOPQOGM-KRWDZBQOSA-N 1 1 348.451 0.488 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001060034098 755159076 /nfs/dbraw/zinc/15/90/76/755159076.db2.gz AGEXBNSSAGWULQ-ZIAGYGMSSA-N 1 1 328.420 0.950 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCOC)c1ccc(C#N)nn1 ZINC001126435040 755301939 /nfs/dbraw/zinc/30/19/39/755301939.db2.gz ZDVSQWFOIVJQBW-UHFFFAOYSA-N 1 1 348.451 0.648 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nccc(C)n3)C2)nn1 ZINC001028851485 755308894 /nfs/dbraw/zinc/30/88/94/755308894.db2.gz OVFIZOVXZPGTDQ-AWEZNQCLSA-N 1 1 341.419 0.814 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nccc(C)n3)C2)nn1 ZINC001028851485 755308898 /nfs/dbraw/zinc/30/88/98/755308898.db2.gz OVFIZOVXZPGTDQ-AWEZNQCLSA-N 1 1 341.419 0.814 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)nn1 ZINC001028852230 755310292 /nfs/dbraw/zinc/31/02/92/755310292.db2.gz GMNYECFXOLJBMX-LSDHHAIUSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001028872758 755354514 /nfs/dbraw/zinc/35/45/14/755354514.db2.gz JFODRYSSHVEQSE-LSDHHAIUSA-N 1 1 345.447 0.865 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)nn1 ZINC001098654649 755568903 /nfs/dbraw/zinc/56/89/03/755568903.db2.gz AJSRONQQFHLJKC-UKRRQHHQSA-N 1 1 347.419 0.670 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)c1 ZINC000990706638 755656157 /nfs/dbraw/zinc/65/61/57/755656157.db2.gz ACHVTSYIAQNSOK-CQSZACIVSA-N 1 1 338.371 0.601 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC2(CCN(CC#N)CC2)O1 ZINC001098656165 755667543 /nfs/dbraw/zinc/66/75/43/755667543.db2.gz QATPPHWRNAUUBF-CVEARBPZSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C(F)F)[C@@H](O)C1 ZINC001083489989 755678304 /nfs/dbraw/zinc/67/83/04/755678304.db2.gz JLXHPVSSGHNCOB-YPMHNXCESA-N 1 1 326.347 0.314 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088793623 755708460 /nfs/dbraw/zinc/70/84/60/755708460.db2.gz NDRONLCUVZPKGK-COXVUDFISA-N 1 1 343.402 0.892 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088793623 755708465 /nfs/dbraw/zinc/70/84/65/755708465.db2.gz NDRONLCUVZPKGK-COXVUDFISA-N 1 1 343.402 0.892 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088793995 755711865 /nfs/dbraw/zinc/71/18/65/755711865.db2.gz ZLRBRBCZQIYJNZ-WQVCFCJDSA-N 1 1 326.400 0.773 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088801171 755736581 /nfs/dbraw/zinc/73/65/81/755736581.db2.gz MFUVUXDFPLEQIY-RISCZKNCSA-N 1 1 325.376 0.475 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088801171 755736583 /nfs/dbraw/zinc/73/65/83/755736583.db2.gz MFUVUXDFPLEQIY-RISCZKNCSA-N 1 1 325.376 0.475 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)[C@@H]2C1 ZINC001076001832 755770023 /nfs/dbraw/zinc/77/00/23/755770023.db2.gz HFGOLXCXSXUVTL-DOTOQJQBSA-N 1 1 344.459 0.931 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)[C@@H]2C1 ZINC001076001832 755770026 /nfs/dbraw/zinc/77/00/26/755770026.db2.gz HFGOLXCXSXUVTL-DOTOQJQBSA-N 1 1 344.459 0.931 20 30 ECEDMO C#CCN1CC[C@@]2(NC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@H]12 ZINC000990737021 755801598 /nfs/dbraw/zinc/80/15/98/755801598.db2.gz FVEBHKHBXFENBX-WMZOPIPTSA-N 1 1 329.448 0.805 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)[C@@H](O)C1 ZINC001083513810 755822266 /nfs/dbraw/zinc/82/22/66/755822266.db2.gz ZTDBNWTXINBOJA-CVEARBPZSA-N 1 1 327.388 0.213 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)nn1 ZINC001098660261 755908639 /nfs/dbraw/zinc/90/86/39/755908639.db2.gz YXZGULBRISPLTB-JSGCOSHPSA-N 1 1 330.396 0.180 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088828938 755962878 /nfs/dbraw/zinc/96/28/78/755962878.db2.gz YQXLPIROTFBPEG-ONERCXAPSA-N 1 1 345.378 0.458 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088828938 755962883 /nfs/dbraw/zinc/96/28/83/755962883.db2.gz YQXLPIROTFBPEG-ONERCXAPSA-N 1 1 345.378 0.458 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1 ZINC001076012644 755994275 /nfs/dbraw/zinc/99/42/75/755994275.db2.gz QSORYGMBPBULQW-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076028540 756016397 /nfs/dbraw/zinc/01/63/97/756016397.db2.gz GBFYFEVRLYIKJD-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076028540 756016400 /nfs/dbraw/zinc/01/64/00/756016400.db2.gz GBFYFEVRLYIKJD-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076028831 756017545 /nfs/dbraw/zinc/01/75/45/756017545.db2.gz PBDLBGAOMZGQGO-HOCLYGCPSA-N 1 1 348.447 0.629 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076028831 756017549 /nfs/dbraw/zinc/01/75/49/756017549.db2.gz PBDLBGAOMZGQGO-HOCLYGCPSA-N 1 1 348.447 0.629 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(C(N)=O)cc3)[C@@H]2C1 ZINC001076037345 756024462 /nfs/dbraw/zinc/02/44/62/756024462.db2.gz IIOLQKGDGOESTF-DLBZAZTESA-N 1 1 325.412 0.884 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076076170 756061764 /nfs/dbraw/zinc/06/17/64/756061764.db2.gz DGDYLKNYMVBGGJ-WFASDCNBSA-N 1 1 347.419 0.232 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076076170 756061769 /nfs/dbraw/zinc/06/17/69/756061769.db2.gz DGDYLKNYMVBGGJ-WFASDCNBSA-N 1 1 347.419 0.232 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)C1=O ZINC001010384152 756068613 /nfs/dbraw/zinc/06/86/13/756068613.db2.gz KCTAXGXTVWOUCA-UONOGXRCSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)C1=O ZINC001010384152 756068619 /nfs/dbraw/zinc/06/86/19/756068619.db2.gz KCTAXGXTVWOUCA-UONOGXRCSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001010397937 756081798 /nfs/dbraw/zinc/08/17/98/756081798.db2.gz NKDGOHIJDKMMAS-UKRRQHHQSA-N 1 1 332.404 0.503 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001010397937 756081803 /nfs/dbraw/zinc/08/18/03/756081803.db2.gz NKDGOHIJDKMMAS-UKRRQHHQSA-N 1 1 332.404 0.503 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnco4)[C@@H]3C2)C1=O ZINC001076101149 756087251 /nfs/dbraw/zinc/08/72/51/756087251.db2.gz XBSPOLQQGWCWKL-MELADBBJSA-N 1 1 330.388 0.608 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)[C@@H]2C1 ZINC001076108371 756093756 /nfs/dbraw/zinc/09/37/56/756093756.db2.gz LQYVCGDGWGDHKD-LSDHHAIUSA-N 1 1 341.415 0.605 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCNC4=O)[C@@H]3C2)s1 ZINC001076126001 756115742 /nfs/dbraw/zinc/11/57/42/756115742.db2.gz ICIBIYPVJDBFIR-NILFDRSVSA-N 1 1 344.440 0.789 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCNC4=O)[C@@H]3C2)s1 ZINC001076126001 756115743 /nfs/dbraw/zinc/11/57/43/756115743.db2.gz ICIBIYPVJDBFIR-NILFDRSVSA-N 1 1 344.440 0.789 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428017 756125462 /nfs/dbraw/zinc/12/54/62/756125462.db2.gz OLKDHPQFODTMJE-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1 ZINC001076238075 756260271 /nfs/dbraw/zinc/26/02/71/756260271.db2.gz OMPNMIGBEVGVLI-HZMVEIRTSA-N 1 1 345.443 0.322 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)[nH]1 ZINC001051608609 762457414 /nfs/dbraw/zinc/45/74/14/762457414.db2.gz FVICIQRZNRWPAO-CQSZACIVSA-N 1 1 331.420 0.659 20 30 ECEDMO Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051608872 762457601 /nfs/dbraw/zinc/45/76/01/762457601.db2.gz LLVGDNSQAAKQHG-CYBMUJFWSA-N 1 1 336.823 0.804 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001076268026 756305840 /nfs/dbraw/zinc/30/58/40/756305840.db2.gz XWJBBNJZKCMTBG-SOUVJXGZSA-N 1 1 330.436 0.734 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)[nH]1 ZINC001010658244 756360628 /nfs/dbraw/zinc/36/06/28/756360628.db2.gz QLNWEVAKGCLKSZ-AAEUAGOBSA-N 1 1 336.417 0.125 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)[nH]1 ZINC001010658244 756360632 /nfs/dbraw/zinc/36/06/32/756360632.db2.gz QLNWEVAKGCLKSZ-AAEUAGOBSA-N 1 1 336.417 0.125 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010692685 756405864 /nfs/dbraw/zinc/40/58/64/756405864.db2.gz NNYUJDZQTVRKDR-IUODEOHRSA-N 1 1 334.445 0.641 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010692685 756405867 /nfs/dbraw/zinc/40/58/67/756405867.db2.gz NNYUJDZQTVRKDR-IUODEOHRSA-N 1 1 334.445 0.641 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076364917 756420895 /nfs/dbraw/zinc/42/08/95/756420895.db2.gz ZSSHEOYXYZPCQE-LSDHHAIUSA-N 1 1 327.856 0.994 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001010743935 756471944 /nfs/dbraw/zinc/47/19/44/756471944.db2.gz XHANAFAMATXMTE-HIFRSBDPSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001010743935 756471948 /nfs/dbraw/zinc/47/19/48/756471948.db2.gz XHANAFAMATXMTE-HIFRSBDPSA-N 1 1 331.420 0.494 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076440564 756518459 /nfs/dbraw/zinc/51/84/59/756518459.db2.gz APXITAUFJUQCLW-OFQRWUPVSA-N 1 1 331.420 0.962 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001076455425 756531466 /nfs/dbraw/zinc/53/14/66/756531466.db2.gz XSZQSCBKRXBGPG-UONOGXRCSA-N 1 1 334.420 0.379 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)cc1 ZINC001076478049 756565030 /nfs/dbraw/zinc/56/50/30/756565030.db2.gz JONVJALUXZDAQN-YESZJQIVSA-N 1 1 338.411 0.870 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1COC(=O)N1 ZINC001010844101 756594096 /nfs/dbraw/zinc/59/40/96/756594096.db2.gz UIUVGHNAIQVNSH-HUUCEWRRSA-N 1 1 347.802 0.990 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1COC(=O)N1 ZINC001010844101 756594100 /nfs/dbraw/zinc/59/41/00/756594100.db2.gz UIUVGHNAIQVNSH-HUUCEWRRSA-N 1 1 347.802 0.990 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076549838 756646177 /nfs/dbraw/zinc/64/61/77/756646177.db2.gz DIDQVMQFCNUFPD-NWDGAFQWSA-N 1 1 325.796 0.421 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076549838 756646179 /nfs/dbraw/zinc/64/61/79/756646179.db2.gz DIDQVMQFCNUFPD-NWDGAFQWSA-N 1 1 325.796 0.421 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C)nn1 ZINC001076575935 756678087 /nfs/dbraw/zinc/67/80/87/756678087.db2.gz OAPANGGCZZVRDD-ZDUSSCGKSA-N 1 1 336.440 0.429 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)Cn2cc[nH+]c2C)nn1 ZINC001076601204 756717875 /nfs/dbraw/zinc/71/78/75/756717875.db2.gz IZFAPHCQGBSWAG-LBPRGKRZSA-N 1 1 345.407 0.294 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)CCOC ZINC001076637749 756756582 /nfs/dbraw/zinc/75/65/82/756756582.db2.gz AJOQKOJUUHYPDT-JYJNAYRXSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)CCOC ZINC001076637749 756756586 /nfs/dbraw/zinc/75/65/86/756756586.db2.gz AJOQKOJUUHYPDT-JYJNAYRXSA-N 1 1 337.464 0.768 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011019593 756772811 /nfs/dbraw/zinc/77/28/11/756772811.db2.gz CJYIBHVRWYKSGS-OCCSQVGLSA-N 1 1 329.404 0.368 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011026604 756788183 /nfs/dbraw/zinc/78/81/83/756788183.db2.gz CQCXJTNKPWUQCG-INIZCTEOSA-N 1 1 339.399 0.268 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011026604 756788186 /nfs/dbraw/zinc/78/81/86/756788186.db2.gz CQCXJTNKPWUQCG-INIZCTEOSA-N 1 1 339.399 0.268 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011027768 756789508 /nfs/dbraw/zinc/78/95/08/756789508.db2.gz CENVKQDNBNPQRJ-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ncn(-c3ccccc3)n2)[C@@H](O)C1 ZINC001083552522 756836489 /nfs/dbraw/zinc/83/64/89/756836489.db2.gz IVZKXPKQUODCTF-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ncn(-c3ccccc3)n2)[C@@H](O)C1 ZINC001083552522 756836498 /nfs/dbraw/zinc/83/64/98/756836498.db2.gz IVZKXPKQUODCTF-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)no1 ZINC001011110686 756940408 /nfs/dbraw/zinc/94/04/08/756940408.db2.gz KMDWYPLMBPIPCA-UHFFFAOYSA-N 1 1 330.388 0.434 20 30 ECEDMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048772428 756946086 /nfs/dbraw/zinc/94/60/86/756946086.db2.gz ZDFRASFQEFEVSN-TXEJJXNPSA-N 1 1 325.376 0.219 20 30 ECEDMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)nn1 ZINC001048779386 756965344 /nfs/dbraw/zinc/96/53/44/756965344.db2.gz SQXYEGSGSOAWIO-BETUJISGSA-N 1 1 325.376 0.219 20 30 ECEDMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)nn1 ZINC001048779386 756965346 /nfs/dbraw/zinc/96/53/46/756965346.db2.gz SQXYEGSGSOAWIO-BETUJISGSA-N 1 1 325.376 0.219 20 30 ECEDMO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSCC#N ZINC001076744478 756968449 /nfs/dbraw/zinc/96/84/49/756968449.db2.gz ICSBZDFKZHSUHG-YNEHKIRRSA-N 1 1 326.466 0.594 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001048796127 757025078 /nfs/dbraw/zinc/02/50/78/757025078.db2.gz DGFGCYKSSYUTKE-OUAUKWLOSA-N 1 1 344.209 0.394 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001048796127 757025091 /nfs/dbraw/zinc/02/50/91/757025091.db2.gz DGFGCYKSSYUTKE-OUAUKWLOSA-N 1 1 344.209 0.394 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001011159573 757064878 /nfs/dbraw/zinc/06/48/78/757064878.db2.gz YIOOMGJWNOTISX-OAHLLOKOSA-N 1 1 326.400 0.299 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048812707 757075993 /nfs/dbraw/zinc/07/59/93/757075993.db2.gz OCIMRDHSRDPLIA-BBWFWOEESA-N 1 1 328.416 0.048 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@@H]1O ZINC001048813801 757078126 /nfs/dbraw/zinc/07/81/26/757078126.db2.gz MBTVXQHANLSLNC-JYJNAYRXSA-N 1 1 335.448 0.160 20 30 ECEDMO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)nn1 ZINC001107149484 757086171 /nfs/dbraw/zinc/08/61/71/757086171.db2.gz GVPXUHYKZKQJQK-WFASDCNBSA-N 1 1 346.435 0.726 20 30 ECEDMO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC001048832224 757134045 /nfs/dbraw/zinc/13/40/45/757134045.db2.gz GVIZLFCOLHGZLL-HOTGVXAUSA-N 1 1 349.475 0.550 20 30 ECEDMO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001048832949 757138135 /nfs/dbraw/zinc/13/81/35/757138135.db2.gz ZVBOXPIPLVYUDB-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc[nH]c4)C[C@H]3C2)C1=O ZINC001048836417 757142280 /nfs/dbraw/zinc/14/22/80/757142280.db2.gz XQAKWRMKKIBRQW-XHSDSOJGSA-N 1 1 328.416 0.805 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)N(CCOC)C3)CCC[C@H]12 ZINC000990975980 757152181 /nfs/dbraw/zinc/15/21/81/757152181.db2.gz WWSZIUJYTMXBRW-JTDSTZFVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCOCCC(=O)NCc1cn(C2C[NH+](CCCCOC)C2)nn1 ZINC001107169283 757205049 /nfs/dbraw/zinc/20/50/49/757205049.db2.gz ALNHCPSXWUHISG-UHFFFAOYSA-N 1 1 349.435 0.218 20 30 ECEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001048866548 757228205 /nfs/dbraw/zinc/22/82/05/757228205.db2.gz TYTRJFMMROXGEL-GJZGRUSLSA-N 1 1 339.480 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cnsn3)C[C@H]2C1 ZINC001048868697 757232957 /nfs/dbraw/zinc/23/29/57/757232957.db2.gz JGMUCINDZGPDER-LZWOXQAQSA-N 1 1 345.472 0.526 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cnsn3)C[C@H]2C1 ZINC001048868697 757232959 /nfs/dbraw/zinc/23/29/59/757232959.db2.gz JGMUCINDZGPDER-LZWOXQAQSA-N 1 1 345.472 0.526 20 30 ECEDMO C=CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001048873993 757252683 /nfs/dbraw/zinc/25/26/83/757252683.db2.gz PGHRFGNEJUINHI-PMPSAXMXSA-N 1 1 349.475 0.715 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3ccncn3)nn2)C1 ZINC001107176682 757256359 /nfs/dbraw/zinc/25/63/59/757256359.db2.gz HZGOOKGEPNZLDZ-UHFFFAOYSA-N 1 1 341.419 0.750 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)NC(=O)CC)nn2)C1 ZINC001107174639 757288185 /nfs/dbraw/zinc/28/81/85/757288185.db2.gz VQFKHCUATYLJCO-LBPRGKRZSA-N 1 1 334.424 0.242 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@H]2C1 ZINC001048900770 757343614 /nfs/dbraw/zinc/34/36/14/757343614.db2.gz MDEPNGYWBFOQMH-BETUJISGSA-N 1 1 339.417 0.507 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3CC)C[C@H]2C1 ZINC001048910783 757366757 /nfs/dbraw/zinc/36/67/57/757366757.db2.gz JVPRTQGKVFAXOY-QLFBSQMISA-N 1 1 327.856 0.850 20 30 ECEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001048912251 757377139 /nfs/dbraw/zinc/37/71/39/757377139.db2.gz BCSXSGWBHHMISC-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@H]2C1 ZINC001048912387 757377999 /nfs/dbraw/zinc/37/79/99/757377999.db2.gz IWNBCGZSNMQGLN-OKILXGFUSA-N 1 1 340.387 0.347 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000996332296 757396801 /nfs/dbraw/zinc/39/68/01/757396801.db2.gz YASPMNTWOCKYTD-QLFBSQMISA-N 1 1 333.436 0.733 20 30 ECEDMO CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)C1CCCC1 ZINC001076856042 757400189 /nfs/dbraw/zinc/40/01/89/757400189.db2.gz YLBGFOCNYKXLEO-BRWVUGGUSA-N 1 1 346.431 0.866 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3sccc3-n3cnnn3)C[C@H]2C1 ZINC001048917592 757407175 /nfs/dbraw/zinc/40/71/75/757407175.db2.gz MBGULXFTHDNSBK-BETUJISGSA-N 1 1 342.428 0.751 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001048922902 757422209 /nfs/dbraw/zinc/42/22/09/757422209.db2.gz BOLPQFFLDOASFU-WCVJEAGWSA-N 1 1 335.448 0.160 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]2C1 ZINC001048922330 757422274 /nfs/dbraw/zinc/42/22/74/757422274.db2.gz KLYNQENHNHMIKN-GASCZTMLSA-N 1 1 332.448 0.951 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]2C1 ZINC001048922330 757422276 /nfs/dbraw/zinc/42/22/76/757422276.db2.gz KLYNQENHNHMIKN-GASCZTMLSA-N 1 1 332.448 0.951 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](OC)[C@H]3CCOC3)nn2)C1 ZINC001107189768 757427332 /nfs/dbraw/zinc/42/73/32/757427332.db2.gz HKRAPMLKHBNCFN-XJKSGUPXSA-N 1 1 349.435 0.379 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]nc2CC)CC1 ZINC001011314858 757491198 /nfs/dbraw/zinc/49/11/98/757491198.db2.gz OPVGPJLBLCCQSN-INIZCTEOSA-N 1 1 343.431 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]nc2CC)CC1 ZINC001011314858 757491203 /nfs/dbraw/zinc/49/12/03/757491203.db2.gz OPVGPJLBLCCQSN-INIZCTEOSA-N 1 1 343.431 0.354 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)[nH]1 ZINC001076898468 757516793 /nfs/dbraw/zinc/51/67/93/757516793.db2.gz KJWPEIJHXLWXOA-IXDOHACOSA-N 1 1 346.431 0.602 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)[nH]1 ZINC001076898591 757517669 /nfs/dbraw/zinc/51/76/69/757517669.db2.gz QMJDQNGCNVJYLG-DAXOMENPSA-N 1 1 332.404 0.478 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)C[C@H](NC(=O)CNC(C)=O)c1ccccc1O2 ZINC001111529582 757678622 /nfs/dbraw/zinc/67/86/22/757678622.db2.gz MKFJKNKKXJMDEA-LPHOPBHVSA-N 1 1 341.411 0.840 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4cnn(C)c4C3)C[C@H]2C1 ZINC001049008282 757681535 /nfs/dbraw/zinc/68/15/35/757681535.db2.gz JNCHOJFGEIEBTM-OIISXLGYSA-N 1 1 326.444 0.939 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)C[N@H+]3CCC[C@H]3C)nn2)C1 ZINC001107209006 757683121 /nfs/dbraw/zinc/68/31/21/757683121.db2.gz CAKISURMQJLWQY-CQSZACIVSA-N 1 1 330.436 0.259 20 30 ECEDMO C=C(C)CN1CC(n2cc(CNC(=O)C[N@@H+]3CCC[C@@H]3C)nn2)C1 ZINC001107209039 757683145 /nfs/dbraw/zinc/68/31/45/757683145.db2.gz DJWQVKXQBMJKBS-AWEZNQCLSA-N 1 1 332.452 0.811 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001021611405 757684608 /nfs/dbraw/zinc/68/46/08/757684608.db2.gz PMMFYYRTGSUBFD-LSDHHAIUSA-N 1 1 338.415 0.992 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 ZINC001021626027 757706544 /nfs/dbraw/zinc/70/65/44/757706544.db2.gz CHRCXVDDZARNLX-CABCVRRESA-N 1 1 331.416 0.472 20 30 ECEDMO C=CCCC1(C(=O)NCc2cn(C3C[NH+](C[C@@H](C)O)C3)nn2)CC1 ZINC001107206390 757720372 /nfs/dbraw/zinc/72/03/72/757720372.db2.gz LAVSWHRYCYIXLF-CYBMUJFWSA-N 1 1 333.436 0.878 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001076953088 757721148 /nfs/dbraw/zinc/72/11/48/757721148.db2.gz LORWDQNKROGIHU-JKSUJKDBSA-N 1 1 347.463 0.484 20 30 ECEDMO C[C@@H](CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C)NC(=O)C#CC1CC1 ZINC001076953394 757722293 /nfs/dbraw/zinc/72/22/93/757722293.db2.gz YEMMEBGWGIIYIT-GOEBONIOSA-N 1 1 345.447 0.238 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)CC1 ZINC001049028769 757738223 /nfs/dbraw/zinc/73/82/23/757738223.db2.gz KPCLMNKUYHSSIR-OWCLPIDISA-N 1 1 345.443 0.928 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021660836 757750970 /nfs/dbraw/zinc/75/09/70/757750970.db2.gz GYLRUBXGCDLTIH-CVEARBPZSA-N 1 1 326.400 0.856 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)c1 ZINC001021661705 757752695 /nfs/dbraw/zinc/75/26/95/757752695.db2.gz REDPSAQOULWCRF-HOTGVXAUSA-N 1 1 326.400 0.856 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)c1 ZINC001021662415 757754470 /nfs/dbraw/zinc/75/44/70/757754470.db2.gz VITRSCPUOVAGIY-BBRMVZONSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)c1 ZINC001021662416 757754501 /nfs/dbraw/zinc/75/45/01/757754501.db2.gz VITRSCPUOVAGIY-CJNGLKHVSA-N 1 1 344.390 0.996 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001049048623 757777967 /nfs/dbraw/zinc/77/79/67/757777967.db2.gz OOGLITQAZYVNQR-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001021690889 757787627 /nfs/dbraw/zinc/78/76/27/757787627.db2.gz LCUVHQHTFLHQMC-CABCVRRESA-N 1 1 346.431 0.426 20 30 ECEDMO C=CCC[C@H](C)[NH+]1CC(n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001107219324 757836471 /nfs/dbraw/zinc/83/64/71/757836471.db2.gz QJQUPIUJMXTZSD-NSHDSACASA-N 1 1 330.396 0.538 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001076989243 757859393 /nfs/dbraw/zinc/85/93/93/757859393.db2.gz XBFRGANEKYIVHW-HZPDHXFCSA-N 1 1 329.404 0.766 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]3C2)nn1 ZINC001049103446 757966289 /nfs/dbraw/zinc/96/62/89/757966289.db2.gz LQHDAOGHSWONDU-SOUVJXGZSA-N 1 1 331.420 0.504 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001077016300 757970192 /nfs/dbraw/zinc/97/01/92/757970192.db2.gz JGIORHQSSWBDLF-NCXUSEDFSA-N 1 1 342.439 0.991 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001049111752 757989108 /nfs/dbraw/zinc/98/91/08/757989108.db2.gz RPQIHWWKACPDFI-IKGGRYGDSA-N 1 1 349.475 0.552 20 30 ECEDMO CCOCC(=O)N[C@H]1C[N@@H+](CC#CCOC)CC2(CCOCC2)C1 ZINC001099562056 757996673 /nfs/dbraw/zinc/99/66/73/757996673.db2.gz NOXGCIDACJMZEK-MRXNPFEDSA-N 1 1 338.448 0.660 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001077047382 758035643 /nfs/dbraw/zinc/03/56/43/758035643.db2.gz FRFHCSJJSAAPIE-RBSFLKMASA-N 1 1 337.464 0.761 20 30 ECEDMO N#Cc1ccc(NC/C=C\CNC(=O)CC[NH+]2CCOCC2)nc1 ZINC001107254457 758054161 /nfs/dbraw/zinc/05/41/61/758054161.db2.gz UBWLDUKVFHSONN-UPHRSURJSA-N 1 1 329.404 0.760 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083783442 758060731 /nfs/dbraw/zinc/06/07/31/758060731.db2.gz SJPSAECEDYXYDJ-CVEARBPZSA-N 1 1 332.404 0.069 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001077065117 758074961 /nfs/dbraw/zinc/07/49/61/758074961.db2.gz OWKIZWLMGTTZHL-GJZGRUSLSA-N 1 1 341.452 0.311 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001077065117 758074974 /nfs/dbraw/zinc/07/49/74/758074974.db2.gz OWKIZWLMGTTZHL-GJZGRUSLSA-N 1 1 341.452 0.311 20 30 ECEDMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C1CC1 ZINC001021945799 758089283 /nfs/dbraw/zinc/08/92/83/758089283.db2.gz BZMKHEFQGKFYDB-JLLWLGSASA-N 1 1 340.391 0.819 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)C3(N4CCOCC4)CCC3)C[C@H]2C1 ZINC001049145569 758120365 /nfs/dbraw/zinc/12/03/65/758120365.db2.gz RMXAYOJEQRTFAY-CALCHBBNSA-N 1 1 331.460 0.655 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)n[nH]2)C1 ZINC001077081579 758135517 /nfs/dbraw/zinc/13/55/17/758135517.db2.gz COAUTHOSSNESFN-GHMZBOCLSA-N 1 1 343.225 0.913 20 30 ECEDMO Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)on1 ZINC001107282223 758184471 /nfs/dbraw/zinc/18/44/71/758184471.db2.gz ZCCLOCRLUQPDBK-RHSMWYFYSA-N 1 1 345.403 0.597 20 30 ECEDMO Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)on1 ZINC001107282223 758184474 /nfs/dbraw/zinc/18/44/74/758184474.db2.gz ZCCLOCRLUQPDBK-RHSMWYFYSA-N 1 1 345.403 0.597 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001077110077 758195924 /nfs/dbraw/zinc/19/59/24/758195924.db2.gz ACPJODAPUJPIHN-KZNAEPCWSA-N 1 1 327.428 0.840 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)C[C@@H]3C2)cn1 ZINC001049178025 758234397 /nfs/dbraw/zinc/23/43/97/758234397.db2.gz ZTNXQKZSJQAUAF-GASCZTMLSA-N 1 1 347.440 0.111 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@H]3C2)cn1 ZINC001049178025 758234402 /nfs/dbraw/zinc/23/44/02/758234402.db2.gz ZTNXQKZSJQAUAF-GASCZTMLSA-N 1 1 347.440 0.111 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001049180609 758240266 /nfs/dbraw/zinc/24/02/66/758240266.db2.gz MOQSZBDSOBILQG-KBPBESRZSA-N 1 1 334.420 0.434 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1O ZINC001049180415 758240785 /nfs/dbraw/zinc/24/07/85/758240785.db2.gz GBIVZYRMMMIQDX-KKUMJFAQSA-N 1 1 337.464 0.571 20 30 ECEDMO C#CCCCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049184937 758246821 /nfs/dbraw/zinc/24/68/21/758246821.db2.gz OHCRWLNBDHRHAR-ULQDDVLXSA-N 1 1 349.475 0.552 20 30 ECEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNS(=O)(=O)CC)C2 ZINC001111648477 758249601 /nfs/dbraw/zinc/24/96/01/758249601.db2.gz ANJMEWWPVMGOHL-HOCLYGCPSA-N 1 1 343.493 0.863 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnn(C)c1 ZINC001077123913 758250917 /nfs/dbraw/zinc/25/09/17/758250917.db2.gz FYILIXKQHNMZML-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnn(C)c1 ZINC001077123913 758250930 /nfs/dbraw/zinc/25/09/30/758250930.db2.gz FYILIXKQHNMZML-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@@H]2C1 ZINC001049190372 758256762 /nfs/dbraw/zinc/25/67/62/758256762.db2.gz ORMAKNAXRJGPNV-HDICACEKSA-N 1 1 349.438 0.929 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@H]2C1 ZINC001049190372 758256769 /nfs/dbraw/zinc/25/67/69/758256769.db2.gz ORMAKNAXRJGPNV-HDICACEKSA-N 1 1 349.438 0.929 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]2C1 ZINC001049190951 758258530 /nfs/dbraw/zinc/25/85/30/758258530.db2.gz JVNHPMRGFTZWHL-KSZLIROESA-N 1 1 339.439 0.865 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3=COCCC3)CCC[C@@H]12 ZINC001107318994 758259758 /nfs/dbraw/zinc/25/97/58/758259758.db2.gz DXCMSCHVOIGOHN-VQIMIIECSA-N 1 1 345.443 0.791 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC001011670145 758261579 /nfs/dbraw/zinc/26/15/79/758261579.db2.gz YSODMAIIRWGHIW-IUODEOHRSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H]1CCCOC1 ZINC001077125070 758289143 /nfs/dbraw/zinc/28/91/43/758289143.db2.gz LUEYXHDXVNDXCE-BBWFWOEESA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H]1CCCOC1 ZINC001077125070 758289153 /nfs/dbraw/zinc/28/91/53/758289153.db2.gz LUEYXHDXVNDXCE-BBWFWOEESA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)CN4CCCC4)C[C@H]3C2)C1=O ZINC001049217040 758350215 /nfs/dbraw/zinc/35/02/15/758350215.db2.gz JPTGSSIVLOVREP-BBWFWOEESA-N 1 1 346.475 0.259 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)CN4CCCC4)C[C@H]3C2)C1=O ZINC001049217040 758350222 /nfs/dbraw/zinc/35/02/22/758350222.db2.gz JPTGSSIVLOVREP-BBWFWOEESA-N 1 1 346.475 0.259 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1O ZINC001077159266 758377343 /nfs/dbraw/zinc/37/73/43/758377343.db2.gz WBKDVIOBDAVBAC-FGTMMUONSA-N 1 1 345.487 0.826 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C[C@H]2C1 ZINC001049227266 758383114 /nfs/dbraw/zinc/38/31/14/758383114.db2.gz AZFSINGGYXEWFL-OAGGEKHMSA-N 1 1 327.432 0.562 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001077165715 758397443 /nfs/dbraw/zinc/39/74/43/758397443.db2.gz XWZOUZAOUXMWIG-QLFBSQMISA-N 1 1 331.420 0.183 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cc(=O)n(C)o3)CCC[C@@H]12 ZINC001107377278 758406180 /nfs/dbraw/zinc/40/61/80/758406180.db2.gz DLQJGUQCJSCEFK-CRAIPNDOSA-N 1 1 347.415 0.603 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(C)C)CC2 ZINC001107378556 758407274 /nfs/dbraw/zinc/40/72/74/758407274.db2.gz AGEGUPULRQJFBK-FHLIZLRMSA-N 1 1 337.464 0.763 20 30 ECEDMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077176994 758413279 /nfs/dbraw/zinc/41/32/79/758413279.db2.gz BWGIJQQKFSUQNH-HZPDHXFCSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077176994 758413285 /nfs/dbraw/zinc/41/32/85/758413285.db2.gz BWGIJQQKFSUQNH-HZPDHXFCSA-N 1 1 339.399 0.575 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C)N3CCOCC3)C[C@H]2C1 ZINC001049253675 758444848 /nfs/dbraw/zinc/44/48/48/758444848.db2.gz UIQHCNNTEDEXFT-SOUVJXGZSA-N 1 1 327.856 0.850 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1C)CC2 ZINC001107402745 758472479 /nfs/dbraw/zinc/47/24/79/758472479.db2.gz RDRSBYNLWICXHZ-HDMKZQKVSA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1C)CC2 ZINC001107402745 758472488 /nfs/dbraw/zinc/47/24/88/758472488.db2.gz RDRSBYNLWICXHZ-HDMKZQKVSA-N 1 1 345.447 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cnco3)[C@@H]2C1 ZINC001022247806 758480483 /nfs/dbraw/zinc/48/04/83/758480483.db2.gz LEASLJCJRPGGCF-SOUVJXGZSA-N 1 1 342.399 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cnco3)[C@@H]2C1 ZINC001022247806 758480487 /nfs/dbraw/zinc/48/04/87/758480487.db2.gz LEASLJCJRPGGCF-SOUVJXGZSA-N 1 1 342.399 0.445 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001077218294 758541910 /nfs/dbraw/zinc/54/19/10/758541910.db2.gz VAWIMYYUPBEGPZ-UMVBOHGHSA-N 1 1 334.420 0.195 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001077218294 758541915 /nfs/dbraw/zinc/54/19/15/758541915.db2.gz VAWIMYYUPBEGPZ-UMVBOHGHSA-N 1 1 334.420 0.195 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1O ZINC001049360529 758565666 /nfs/dbraw/zinc/56/56/66/758565666.db2.gz CLXYBLMCDKXWLM-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1O ZINC001049360833 758566707 /nfs/dbraw/zinc/56/67/07/758566707.db2.gz LCDZXLKHKCFDOY-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)CC(N)=O)c1 ZINC001049382432 758604421 /nfs/dbraw/zinc/60/44/21/758604421.db2.gz ONDABUPVIGGAOK-JKSUJKDBSA-N 1 1 326.400 0.999 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)S(C)(=O)=O)CCC[C@@H]12 ZINC001107453836 758611299 /nfs/dbraw/zinc/61/12/99/758611299.db2.gz CCFOEPRIXDHTCL-SQWLQELKSA-N 1 1 326.462 0.804 20 30 ECEDMO N#Cc1ccc(F)c(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC001127779616 758627569 /nfs/dbraw/zinc/62/75/69/758627569.db2.gz OZBCAXFMNNDFOI-DOTOQJQBSA-N 1 1 346.406 0.766 20 30 ECEDMO N#Cc1ccc(F)c(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001127779616 758627574 /nfs/dbraw/zinc/62/75/74/758627574.db2.gz OZBCAXFMNNDFOI-DOTOQJQBSA-N 1 1 346.406 0.766 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C#N)[nH]1 ZINC001049425532 758669539 /nfs/dbraw/zinc/66/95/39/758669539.db2.gz MXEZHJAOTUMHAF-CABCVRRESA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnco3)CCC[C@@H]12 ZINC001107491452 758761106 /nfs/dbraw/zinc/76/11/06/758761106.db2.gz YJVKGQZLJSUCOU-RHSMWYFYSA-N 1 1 332.404 0.951 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)n(C)c1=O ZINC001049507406 758824211 /nfs/dbraw/zinc/82/42/11/758824211.db2.gz IFYQPILRGXOOKF-HUUCEWRRSA-N 1 1 346.431 0.188 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1cnon1 ZINC001049529805 758866410 /nfs/dbraw/zinc/86/64/10/758866410.db2.gz SAINZVCTBPRXJM-ULQDDVLXSA-N 1 1 343.431 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1cnon1 ZINC001049529805 758866420 /nfs/dbraw/zinc/86/64/20/758866420.db2.gz SAINZVCTBPRXJM-ULQDDVLXSA-N 1 1 343.431 0.733 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001049560694 758924146 /nfs/dbraw/zinc/92/41/46/758924146.db2.gz XKAHKXQKMMLOLH-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001049565337 758930115 /nfs/dbraw/zinc/93/01/15/758930115.db2.gz NBBUAPYUBHPTIX-RDBSUJKOSA-N 1 1 338.452 0.154 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C(N)=O)cn1C ZINC001049572744 758945057 /nfs/dbraw/zinc/94/50/57/758945057.db2.gz NKNLORXFGCRPSL-GJZGRUSLSA-N 1 1 328.416 0.826 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049579661 758956833 /nfs/dbraw/zinc/95/68/33/758956833.db2.gz MKSWEEZQLGMMSU-LSDHHAIUSA-N 1 1 346.431 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001049581727 758958533 /nfs/dbraw/zinc/95/85/33/758958533.db2.gz KCEZEKCQWQEOCY-JKSUJKDBSA-N 1 1 344.415 0.202 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O ZINC001077394824 758985483 /nfs/dbraw/zinc/98/54/83/758985483.db2.gz GLDNQVPQPPOXJS-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)c(C)nn(C)c1=O ZINC001049631718 759021406 /nfs/dbraw/zinc/02/14/06/759021406.db2.gz STZIYYFZWAQALA-LSDHHAIUSA-N 1 1 328.416 0.709 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)c(C)nn(C)c1=O ZINC001049631716 759021555 /nfs/dbraw/zinc/02/15/55/759021555.db2.gz STZIYYFZWAQALA-GJZGRUSLSA-N 1 1 328.416 0.709 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnnn3CC)C2)nn1 ZINC001098669936 759073947 /nfs/dbraw/zinc/07/39/47/759073947.db2.gz ZBQIBBZPOYFDAA-CYBMUJFWSA-N 1 1 330.396 0.252 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049692677 759107136 /nfs/dbraw/zinc/10/71/36/759107136.db2.gz UGIZFLKCBJOKFN-LSDHHAIUSA-N 1 1 342.399 0.617 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049692677 759107139 /nfs/dbraw/zinc/10/71/39/759107139.db2.gz UGIZFLKCBJOKFN-LSDHHAIUSA-N 1 1 342.399 0.617 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCn1cncn1 ZINC001049733216 759146181 /nfs/dbraw/zinc/14/61/81/759146181.db2.gz VVKHPPQKPLPDLK-QZWWFDLISA-N 1 1 345.447 0.935 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nnnc1C(C)C ZINC001049773975 759188845 /nfs/dbraw/zinc/18/88/45/759188845.db2.gz UDVPLKPMMPVKJR-CABCVRRESA-N 1 1 330.436 0.885 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049779596 759194789 /nfs/dbraw/zinc/19/47/89/759194789.db2.gz VJIDXTPHZMCBIE-NTXUUIFSSA-N 1 1 346.431 0.616 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001049783982 759201615 /nfs/dbraw/zinc/20/16/15/759201615.db2.gz VVEYODVDEBHVPZ-ZJPYXAASSA-N 1 1 342.443 0.987 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001049785573 759203905 /nfs/dbraw/zinc/20/39/05/759203905.db2.gz ZKENLSDOCPSHGI-KBPBESRZSA-N 1 1 325.372 0.747 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccncc2)[C@@H](O)C1 ZINC001083601049 759241788 /nfs/dbraw/zinc/24/17/88/759241788.db2.gz BFZSEAOTVIUGNL-CABCVRRESA-N 1 1 327.388 0.823 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c(C)cc(C)nc1=O ZINC001049813593 759245227 /nfs/dbraw/zinc/24/52/27/759245227.db2.gz GPTJLNOOYDPKII-DLBZAZTESA-N 1 1 342.443 0.949 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c(C)cc(C)nc1=O ZINC001049817347 759250561 /nfs/dbraw/zinc/25/05/61/759250561.db2.gz XYDPYQCETZMVIZ-IAGOWNOFSA-N 1 1 342.443 0.949 20 30 ECEDMO Cn1cncc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083611038 759289027 /nfs/dbraw/zinc/28/90/27/759289027.db2.gz ZITWFJKRMJFDIU-ZBFHGGJFSA-N 1 1 325.372 0.267 20 30 ECEDMO Cn1cncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083611038 759289032 /nfs/dbraw/zinc/28/90/32/759289032.db2.gz ZITWFJKRMJFDIU-ZBFHGGJFSA-N 1 1 325.372 0.267 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNc2ncc(C#N)cc2F)C1 ZINC001105913571 762701886 /nfs/dbraw/zinc/70/18/86/762701886.db2.gz FWJUKWGNDQHVBB-AAEUAGOBSA-N 1 1 335.383 0.323 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049873372 759328209 /nfs/dbraw/zinc/32/82/09/759328209.db2.gz WUSZIYKYLQVSHQ-OLZOCXBDSA-N 1 1 332.404 0.015 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049885755 759347273 /nfs/dbraw/zinc/34/72/73/759347273.db2.gz OIVLRTDSPLRDER-KGLIPLIRSA-N 1 1 332.404 0.741 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@]12C[C@H]1COC2 ZINC000944067649 759374889 /nfs/dbraw/zinc/37/48/89/759374889.db2.gz MXRPEACXKBWRCQ-RCJHGTSTSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@]12C[C@H]1COC2 ZINC000944067649 759374898 /nfs/dbraw/zinc/37/48/98/759374898.db2.gz MXRPEACXKBWRCQ-RCJHGTSTSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047638666 759375085 /nfs/dbraw/zinc/37/50/85/759375085.db2.gz DMOMDQQSGIZOLK-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(Cn3cccn3)on2)[C@@H](C)C1 ZINC000944082428 759380473 /nfs/dbraw/zinc/38/04/73/759380473.db2.gz WQGCGHNJYHNNBH-ZFWWWQNUSA-N 1 1 327.388 0.993 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1COCCN1C(C)=O ZINC001049904171 759387202 /nfs/dbraw/zinc/38/72/02/759387202.db2.gz NDIDMVDXFIOWMO-BBWFWOEESA-N 1 1 333.432 0.322 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001047644179 759392755 /nfs/dbraw/zinc/39/27/55/759392755.db2.gz BCPCBMNBPYUQOB-HOTGVXAUSA-N 1 1 344.415 0.578 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001047644979 759394588 /nfs/dbraw/zinc/39/45/88/759394588.db2.gz YAAMFWSNEWXBCK-GJZGRUSLSA-N 1 1 343.387 0.989 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001047644979 759394594 /nfs/dbraw/zinc/39/45/94/759394594.db2.gz YAAMFWSNEWXBCK-GJZGRUSLSA-N 1 1 343.387 0.989 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001049913458 759397307 /nfs/dbraw/zinc/39/73/07/759397307.db2.gz YFIGGMIBTGLWHI-KZNAEPCWSA-N 1 1 331.460 0.796 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 ZINC001049918418 759400968 /nfs/dbraw/zinc/40/09/68/759400968.db2.gz KXJGNJMDVZBFON-KGLIPLIRSA-N 1 1 332.408 0.018 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C(N)=O)ccn1 ZINC001049935285 759428130 /nfs/dbraw/zinc/42/81/30/759428130.db2.gz IGKDECLFOUOVMA-JKSUJKDBSA-N 1 1 326.400 0.883 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)c3cccnc32)C1 ZINC001077429479 759478147 /nfs/dbraw/zinc/47/81/47/759478147.db2.gz UQCCQUQTLDQZBU-HUUCEWRRSA-N 1 1 329.404 0.477 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@H](C)OC)[C@@H]3C2)C1=O ZINC001049988636 759502607 /nfs/dbraw/zinc/50/26/07/759502607.db2.gz VLYCLYUGZRHCCP-CAOSSQGBSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C(N)=O)cn1)C2 ZINC001054249303 767867576 /nfs/dbraw/zinc/86/75/76/767867576.db2.gz RHAFCKSXOFVCSW-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001050008551 759545025 /nfs/dbraw/zinc/54/50/25/759545025.db2.gz BKZKRSLZGGAJBC-DZGCQCFKSA-N 1 1 329.404 0.511 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047812855 759553503 /nfs/dbraw/zinc/55/35/03/759553503.db2.gz YRUBNKIDNKXPNH-MNOVXSKESA-N 1 1 328.380 0.050 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)NC(N)=O)CC2)C1 ZINC001105707000 759559185 /nfs/dbraw/zinc/55/91/85/759559185.db2.gz ILUWZGRDCLFLOD-ZDUSSCGKSA-N 1 1 336.436 0.148 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001050024814 759564462 /nfs/dbraw/zinc/56/44/62/759564462.db2.gz LFWOJEOPRCALSW-NILFDRSVSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4ncc[nH]4)[C@@H]3C2)C1=O ZINC001050042209 759605922 /nfs/dbraw/zinc/60/59/22/759605922.db2.gz MBUJENPERASAMK-SOUVJXGZSA-N 1 1 343.431 0.733 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@H](OC)C1 ZINC001212136537 759657179 /nfs/dbraw/zinc/65/71/79/759657179.db2.gz MFNCIKAZLQKGPD-BZUAXINKSA-N 1 1 325.453 0.489 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC001050077141 759663716 /nfs/dbraw/zinc/66/37/16/759663716.db2.gz OXXXWKPEJOGAGC-DOTOQJQBSA-N 1 1 340.427 0.669 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001050078239 759665103 /nfs/dbraw/zinc/66/51/03/759665103.db2.gz LXSCGQOCOYJLGA-BFHYXJOUSA-N 1 1 331.420 0.655 20 30 ECEDMO Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c(C#N)cn1 ZINC001125110497 759699867 /nfs/dbraw/zinc/69/98/67/759699867.db2.gz HEPMUPULRQADOC-GDBMZVCRSA-N 1 1 345.447 0.469 20 30 ECEDMO CN(C[C@H](O)CN(C)c1cccc(F)c1C#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125111119 759710701 /nfs/dbraw/zinc/71/07/01/759710701.db2.gz SALONKSJKAWEMH-UONOGXRCSA-N 1 1 348.422 0.905 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC001050128412 759764213 /nfs/dbraw/zinc/76/42/13/759764213.db2.gz ZXXNMEWAOGIBEP-RVKKMQEKSA-N 1 1 341.459 0.866 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3nnc4c3CCCC4)[C@@H]2C1 ZINC001050139943 759787333 /nfs/dbraw/zinc/78/73/33/759787333.db2.gz IJUGSHNOOFSUJQ-WMLDXEAASA-N 1 1 327.432 0.713 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)C(C)(C)C1 ZINC000995558554 759793775 /nfs/dbraw/zinc/79/37/75/759793775.db2.gz IVUHQFAAZIAVSO-VXGBXAGGSA-N 1 1 333.440 0.914 20 30 ECEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)c3cn(C)c(=O)[nH]c3=O)cc2C1 ZINC001054291477 767898256 /nfs/dbraw/zinc/89/82/56/767898256.db2.gz QIYXUJMRIJUHIY-UHFFFAOYSA-N 1 1 340.383 0.918 20 30 ECEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3cn(C)c(=O)[nH]c3=O)cc2C1 ZINC001054291477 767898262 /nfs/dbraw/zinc/89/82/62/767898262.db2.gz QIYXUJMRIJUHIY-UHFFFAOYSA-N 1 1 340.383 0.918 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050191023 759903973 /nfs/dbraw/zinc/90/39/73/759903973.db2.gz BMZCBQAWZRKHLD-LZWOXQAQSA-N 1 1 339.461 0.014 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001050222559 759969473 /nfs/dbraw/zinc/96/94/73/759969473.db2.gz BOTNRXZFQLQNDY-HOCLYGCPSA-N 1 1 345.447 0.567 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C)c1nnnn1C ZINC000995683658 760041192 /nfs/dbraw/zinc/04/11/92/760041192.db2.gz YJPFFBHLOUMJAS-MFKMUULPSA-N 1 1 342.407 0.611 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001050296923 760078339 /nfs/dbraw/zinc/07/83/39/760078339.db2.gz JTESYSWTFQWOBR-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C ZINC001050319352 760118283 /nfs/dbraw/zinc/11/82/83/760118283.db2.gz MJNBOSBAROIYMI-YPMHNXCESA-N 1 1 325.376 0.637 20 30 ECEDMO C=CCn1cc(C(=O)NC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000945380814 760124765 /nfs/dbraw/zinc/12/47/65/760124765.db2.gz DDLXQAFXUMQNPP-OAHLLOKOSA-N 1 1 346.435 0.279 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001077437433 760356862 /nfs/dbraw/zinc/35/68/62/760356862.db2.gz AQHUOJCZTYFSDO-HUUCEWRRSA-N 1 1 328.372 0.478 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001077437433 760356873 /nfs/dbraw/zinc/35/68/73/760356873.db2.gz AQHUOJCZTYFSDO-HUUCEWRRSA-N 1 1 328.372 0.478 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnc(C)cn2)C1=O ZINC001032261307 760403751 /nfs/dbraw/zinc/40/37/51/760403751.db2.gz ITOLVOODZRQRCT-OFQRWUPVSA-N 1 1 341.415 0.471 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnc(C)cn2)C1=O ZINC001032261307 760403754 /nfs/dbraw/zinc/40/37/54/760403754.db2.gz ITOLVOODZRQRCT-OFQRWUPVSA-N 1 1 341.415 0.471 20 30 ECEDMO N#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2CC2)CC2(CCOCC2)C1 ZINC001099557523 760452475 /nfs/dbraw/zinc/45/24/75/760452475.db2.gz GSADBXJGUFXMHK-HNNXBMFYSA-N 1 1 348.447 0.414 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2CC2)CC2(CCOCC2)C1 ZINC001099557523 760452481 /nfs/dbraw/zinc/45/24/81/760452481.db2.gz GSADBXJGUFXMHK-HNNXBMFYSA-N 1 1 348.447 0.414 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCCS3(=O)=O)C2)CC1 ZINC001050541783 760459796 /nfs/dbraw/zinc/45/97/96/760459796.db2.gz QDYDYYPVRBUJSB-OAHLLOKOSA-N 1 1 338.473 0.901 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC2(C1)CCN(CC#N)CC2 ZINC001050542946 760462445 /nfs/dbraw/zinc/46/24/45/760462445.db2.gz QVVJAAYZZJUMDY-OAHLLOKOSA-N 1 1 330.436 0.261 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001012649941 760487797 /nfs/dbraw/zinc/48/77/97/760487797.db2.gz UOYCZFVCNYGMDI-BXUZGUMPSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@@H](C)c2nncn2C)C1 ZINC001030024745 760630261 /nfs/dbraw/zinc/63/02/61/760630261.db2.gz SSDAIVIGGWLXFZ-XHSDSOJGSA-N 1 1 344.463 0.554 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@@H](C)c2nncn2C)C1 ZINC001030024745 760630263 /nfs/dbraw/zinc/63/02/63/760630263.db2.gz SSDAIVIGGWLXFZ-XHSDSOJGSA-N 1 1 344.463 0.554 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCS1(=O)=O)C2 ZINC001048531761 760670473 /nfs/dbraw/zinc/67/04/73/760670473.db2.gz CIFRFAKLSIPDIS-FZKCQIBNSA-N 1 1 338.473 0.946 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1nccnc1C(N)=O)C2 ZINC001048588275 760760696 /nfs/dbraw/zinc/76/06/96/760760696.db2.gz QQCZBUODHHIYLG-BTTYYORXSA-N 1 1 341.415 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C(C)=C\C)C1 ZINC001048659593 760873906 /nfs/dbraw/zinc/87/39/06/760873906.db2.gz HETDAQMPNJREPF-WMRDHKSYSA-N 1 1 333.432 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C(C)=C\C)C1 ZINC001048659593 760873918 /nfs/dbraw/zinc/87/39/18/760873918.db2.gz HETDAQMPNJREPF-WMRDHKSYSA-N 1 1 333.432 0.080 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CCCC)C1 ZINC001077444342 760953146 /nfs/dbraw/zinc/95/31/46/760953146.db2.gz UVRLFCJDNYQQBE-BRWVUGGUSA-N 1 1 339.480 0.615 20 30 ECEDMO C[C@H]1CN(C(=O)C2CCC2)CC2(CC[NH+](CC(=O)NCC#N)CC2)O1 ZINC001111534235 767994222 /nfs/dbraw/zinc/99/42/22/767994222.db2.gz SXAJXLPPAOQXJF-AWEZNQCLSA-N 1 1 348.447 0.508 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCCN1CC#Cc1ccccc1 ZINC001050848378 760992875 /nfs/dbraw/zinc/99/28/75/760992875.db2.gz HPDKILYEPQGDMI-RBUKOAKNSA-N 1 1 341.455 0.949 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1ccnc(C#N)n1 ZINC001048710949 760996539 /nfs/dbraw/zinc/99/65/39/760996539.db2.gz MUJTYNXOBAMROZ-HZSPNIEDSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1O ZINC001048712495 760999336 /nfs/dbraw/zinc/99/93/36/760999336.db2.gz WIUMWCNGFKGWPT-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCOC4)C[C@H]3C2)C1=O ZINC001048719210 761021472 /nfs/dbraw/zinc/02/14/72/761021472.db2.gz CRCLOOIKFWTPSO-NCOADZHNSA-N 1 1 347.459 0.590 20 30 ECEDMO C#CCC1(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)CCC1 ZINC001106236121 768001684 /nfs/dbraw/zinc/00/16/84/768001684.db2.gz AUCRWLSLILFOPM-ZIAGYGMSSA-N 1 1 330.436 0.588 20 30 ECEDMO COCCc1noc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1 ZINC001048728224 761055854 /nfs/dbraw/zinc/05/58/54/761055854.db2.gz YCGPJLISFRJJLL-RWMBFGLXSA-N 1 1 333.392 0.308 20 30 ECEDMO COCCc1noc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1 ZINC001048728224 761055864 /nfs/dbraw/zinc/05/58/64/761055864.db2.gz YCGPJLISFRJJLL-RWMBFGLXSA-N 1 1 333.392 0.308 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC000991470020 761083081 /nfs/dbraw/zinc/08/30/81/761083081.db2.gz HEKGHBMGLNOHTI-RHSMWYFYSA-N 1 1 333.436 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H](C)CC)C1 ZINC001048746117 761104014 /nfs/dbraw/zinc/10/40/14/761104014.db2.gz VNXIHVMRBMFDAC-QZWWFDLISA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H](C)CC)C1 ZINC001048746117 761104021 /nfs/dbraw/zinc/10/40/21/761104021.db2.gz VNXIHVMRBMFDAC-QZWWFDLISA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ocnc4C)C[C@H]3C2)C1=O ZINC001048748791 761107929 /nfs/dbraw/zinc/10/79/29/761107929.db2.gz ZBZYJANBWJXUGD-QLFBSQMISA-N 1 1 344.415 0.774 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC000991477454 761126318 /nfs/dbraw/zinc/12/63/18/761126318.db2.gz GSXXSBZSHDIFSY-HNNXBMFYSA-N 1 1 346.435 0.278 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001212145938 761201875 /nfs/dbraw/zinc/20/18/75/761201875.db2.gz FMHMKBXKGIOPCL-IAGOWNOFSA-N 1 1 332.448 0.972 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cncs1 ZINC001050962075 761230058 /nfs/dbraw/zinc/23/00/58/761230058.db2.gz DYIVKNJAUVBLIU-HOCLYGCPSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cncs1 ZINC001050962075 761230065 /nfs/dbraw/zinc/23/00/65/761230065.db2.gz DYIVKNJAUVBLIU-HOCLYGCPSA-N 1 1 348.472 0.558 20 30 ECEDMO C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H](COC)OC)CC2)C1 ZINC001105724090 761332809 /nfs/dbraw/zinc/33/28/09/761332809.db2.gz NAEXBSKRJUAPRG-INIZCTEOSA-N 1 1 326.437 0.916 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1c1ccnc(C#N)n1 ZINC001051027582 761361088 /nfs/dbraw/zinc/36/10/88/761361088.db2.gz XJWNDDWSTMRHMB-MJBXVCDLSA-N 1 1 328.420 0.916 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC(OC2C[NH+](CCCO)C2)CC1 ZINC001105735820 761418334 /nfs/dbraw/zinc/41/83/34/761418334.db2.gz BBGPTTXAXFQBHX-AWEZNQCLSA-N 1 1 326.437 0.652 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082377 761456949 /nfs/dbraw/zinc/45/69/49/761456949.db2.gz ZSRUNYIAZIXLBE-HOTGVXAUSA-N 1 1 325.453 0.489 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001054548046 768038582 /nfs/dbraw/zinc/03/85/82/768038582.db2.gz OEBNBHGXGBPENG-RISCZKNCSA-N 1 1 327.392 0.748 20 30 ECEDMO C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001051111103 761509141 /nfs/dbraw/zinc/50/91/41/761509141.db2.gz NCDCWXXQCXYUQY-DOTOQJQBSA-N 1 1 330.432 0.594 20 30 ECEDMO C=CCN1CCOC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001051111239 761510223 /nfs/dbraw/zinc/51/02/23/761510223.db2.gz OPFZEWWPCOFGSR-AWEZNQCLSA-N 1 1 334.420 0.887 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001054571556 768045762 /nfs/dbraw/zinc/04/57/62/768045762.db2.gz KCTNIVPORTUFFP-RISCZKNCSA-N 1 1 342.407 0.533 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)[C@@H]2C)CC[N@H+]1C ZINC001051145399 761559348 /nfs/dbraw/zinc/55/93/48/761559348.db2.gz FHTMGLRVGMCSMA-SYQHCUMBSA-N 1 1 328.420 0.772 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(S(N)(=O)=O)o3)CCC[C@@H]12 ZINC000991568396 761672958 /nfs/dbraw/zinc/67/29/58/761672958.db2.gz NWHDIMCKKLCVKS-DOMZBBRYSA-N 1 1 337.401 0.287 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001051207945 761690245 /nfs/dbraw/zinc/69/02/45/761690245.db2.gz ZEGPUXKSYMKOBS-HZPDHXFCSA-N 1 1 346.431 0.585 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)cn1 ZINC001051211312 761697537 /nfs/dbraw/zinc/69/75/37/761697537.db2.gz CSCJNPYYUDJCII-YJBOKZPZSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H]2CCCOC2)cn1 ZINC001051211312 761697541 /nfs/dbraw/zinc/69/75/41/761697541.db2.gz CSCJNPYYUDJCII-YJBOKZPZSA-N 1 1 343.427 0.920 20 30 ECEDMO C=CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCS(=O)(=O)N3)cccc2C1 ZINC001051306818 761859039 /nfs/dbraw/zinc/85/90/39/761859039.db2.gz RSGVDIGWXOQGQB-INIZCTEOSA-N 1 1 349.456 0.539 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)ccc1C#N ZINC001105914604 762712064 /nfs/dbraw/zinc/71/20/64/762712064.db2.gz YSMVHQQNFUFKEN-UKRRQHHQSA-N 1 1 331.420 0.493 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001014458127 762713918 /nfs/dbraw/zinc/71/39/18/762713918.db2.gz ICWVTDVGODEHDY-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001014458127 762713926 /nfs/dbraw/zinc/71/39/26/762713926.db2.gz ICWVTDVGODEHDY-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001014472319 762729401 /nfs/dbraw/zinc/72/94/01/762729401.db2.gz VKJFAJDOGPWWSF-ZNMIVQPWSA-N 1 1 349.431 0.307 20 30 ECEDMO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001105928054 762837424 /nfs/dbraw/zinc/83/74/24/762837424.db2.gz PRPNGCKAXOZGAS-PBHICJAKSA-N 1 1 329.404 0.328 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)C2)cc1F ZINC001014567828 762838470 /nfs/dbraw/zinc/83/84/70/762838470.db2.gz VNCLHTOSLBEGGX-CQSZACIVSA-N 1 1 328.351 0.680 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3nccn3)C2)cc1F ZINC001014567828 762838478 /nfs/dbraw/zinc/83/84/78/762838478.db2.gz VNCLHTOSLBEGGX-CQSZACIVSA-N 1 1 328.351 0.680 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(CC)n2C)C1 ZINC001051756965 762888725 /nfs/dbraw/zinc/88/87/25/762888725.db2.gz VTVUEWVOTBOYFH-ZDUSSCGKSA-N 1 1 335.452 0.907 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1=O ZINC001014618547 762912687 /nfs/dbraw/zinc/91/26/87/762912687.db2.gz RKKBYIVCDXXQHE-WBVHZDCISA-N 1 1 343.402 0.846 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1=O ZINC001014618547 762912691 /nfs/dbraw/zinc/91/26/91/762912691.db2.gz RKKBYIVCDXXQHE-WBVHZDCISA-N 1 1 343.402 0.846 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1nc(Cl)c(C#N)s1 ZINC001105943913 762992335 /nfs/dbraw/zinc/99/23/35/762992335.db2.gz DUJSGGZEDGTUJM-SECBINFHSA-N 1 1 345.856 0.899 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001046778038 763111184 /nfs/dbraw/zinc/11/11/84/763111184.db2.gz AEQGVTCJACROLC-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001046778038 763111188 /nfs/dbraw/zinc/11/11/88/763111188.db2.gz AEQGVTCJACROLC-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC001046779670 763115428 /nfs/dbraw/zinc/11/54/28/763115428.db2.gz XJCACTYTJHVJHY-ACJLOTCBSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC001046779670 763115430 /nfs/dbraw/zinc/11/54/30/763115430.db2.gz XJCACTYTJHVJHY-ACJLOTCBSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC001046782573 763118836 /nfs/dbraw/zinc/11/88/36/763118836.db2.gz CPLWPXWDMCZTET-GOSISDBHSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC3CC3)C2)cn1 ZINC001046782573 763118843 /nfs/dbraw/zinc/11/88/43/763118843.db2.gz CPLWPXWDMCZTET-GOSISDBHSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncnn2C(C)C)C1 ZINC001014769227 763124124 /nfs/dbraw/zinc/12/41/24/763124124.db2.gz JFMAJDCOGOFQIZ-HOTGVXAUSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncnn2C(C)C)C1 ZINC001014769227 763124136 /nfs/dbraw/zinc/12/41/36/763124136.db2.gz JFMAJDCOGOFQIZ-HOTGVXAUSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccn(CC)n2)C1 ZINC001014779135 763138960 /nfs/dbraw/zinc/13/89/60/763138960.db2.gz IZUNCLVFNMZRNJ-RDJZCZTQSA-N 1 1 329.448 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccn(CC)n2)C1 ZINC001014779135 763138967 /nfs/dbraw/zinc/13/89/67/763138967.db2.gz IZUNCLVFNMZRNJ-RDJZCZTQSA-N 1 1 329.448 0.691 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(CC)no2)C1 ZINC001014780158 763140032 /nfs/dbraw/zinc/14/00/32/763140032.db2.gz QNTNKYKUXPFJPT-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(CC)no2)C1 ZINC001014780158 763140037 /nfs/dbraw/zinc/14/00/37/763140037.db2.gz QNTNKYKUXPFJPT-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001051867508 763153017 /nfs/dbraw/zinc/15/30/17/763153017.db2.gz KBNUSPJJLGUCAP-JYJNAYRXSA-N 1 1 349.435 0.113 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)s1 ZINC001089852772 763176275 /nfs/dbraw/zinc/17/62/75/763176275.db2.gz KGAHKQRJDADBNP-PUPMMZHASA-N 1 1 344.440 0.774 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NCC2=CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001127669482 763208949 /nfs/dbraw/zinc/20/89/49/763208949.db2.gz CJVJPXKHJYAOEK-HNNXBMFYSA-N 1 1 340.431 0.943 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN(Cc3cnn(C)c3)C2)CC1 ZINC001046850557 763229966 /nfs/dbraw/zinc/22/99/66/763229966.db2.gz WICKMQZTNGOHRB-IBGZPJMESA-N 1 1 343.475 0.846 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nncs3)C2)cn1 ZINC001051906612 763297618 /nfs/dbraw/zinc/29/76/18/763297618.db2.gz REKNOZNGMUYJGH-CQSZACIVSA-N 1 1 343.412 0.545 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001046943388 763432058 /nfs/dbraw/zinc/43/20/58/763432058.db2.gz DTPBZFDUDXGSJG-GFCCVEGCSA-N 1 1 348.357 0.835 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001046943388 763432063 /nfs/dbraw/zinc/43/20/63/763432063.db2.gz DTPBZFDUDXGSJG-GFCCVEGCSA-N 1 1 348.357 0.835 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001046943320 763432185 /nfs/dbraw/zinc/43/21/85/763432185.db2.gz FDLJGHWQFZANKJ-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001046943320 763432188 /nfs/dbraw/zinc/43/21/88/763432188.db2.gz FDLJGHWQFZANKJ-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001046946727 763438219 /nfs/dbraw/zinc/43/82/19/763438219.db2.gz YCSRPUSBFSFSAC-KGLIPLIRSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001046946727 763438231 /nfs/dbraw/zinc/43/82/31/763438231.db2.gz YCSRPUSBFSFSAC-KGLIPLIRSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001046948318 763440531 /nfs/dbraw/zinc/44/05/31/763440531.db2.gz GFNXFOVXBVMLGY-RBSFLKMASA-N 1 1 343.418 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001046953895 763453125 /nfs/dbraw/zinc/45/31/25/763453125.db2.gz MRXFANOLWDPLQN-KBPBESRZSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001046953895 763453130 /nfs/dbraw/zinc/45/31/30/763453130.db2.gz MRXFANOLWDPLQN-KBPBESRZSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC001030463884 763454918 /nfs/dbraw/zinc/45/49/18/763454918.db2.gz ZGYWPLPFWLWPMW-ZWKOTPCHSA-N 1 1 345.418 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC001030463884 763454927 /nfs/dbraw/zinc/45/49/27/763454927.db2.gz ZGYWPLPFWLWPMW-ZWKOTPCHSA-N 1 1 345.418 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2cnc(C)cn2)C1 ZINC001030464159 763456164 /nfs/dbraw/zinc/45/61/64/763456164.db2.gz JPGUVJGRADNBFJ-YOEHRIQHSA-N 1 1 327.432 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2cnc(C)cn2)C1 ZINC001030464159 763456167 /nfs/dbraw/zinc/45/61/67/763456167.db2.gz JPGUVJGRADNBFJ-YOEHRIQHSA-N 1 1 327.432 0.744 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046961505 763470347 /nfs/dbraw/zinc/47/03/47/763470347.db2.gz WQOUCDTYXQMJML-LBPRGKRZSA-N 1 1 338.358 0.491 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046961505 763470354 /nfs/dbraw/zinc/47/03/54/763470354.db2.gz WQOUCDTYXQMJML-LBPRGKRZSA-N 1 1 338.358 0.491 20 30 ECEDMO C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001040926400 763471565 /nfs/dbraw/zinc/47/15/65/763471565.db2.gz ZDLVDZBSTNHNNF-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO N#Cc1cnccc1NC[C@H](O)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001105996033 763488401 /nfs/dbraw/zinc/48/84/01/763488401.db2.gz ZAKUXXSTRKRQRB-DZGCQCFKSA-N 1 1 340.387 0.038 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046972019 763491851 /nfs/dbraw/zinc/49/18/51/763491851.db2.gz YJEHGOQCAMOMIE-GRYCIOLGSA-N 1 1 331.363 0.279 20 30 ECEDMO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)cn1 ZINC001105995268 763493827 /nfs/dbraw/zinc/49/38/27/763493827.db2.gz QUXSYNSZQXTIQA-GJZGRUSLSA-N 1 1 340.387 0.616 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001046995377 763534292 /nfs/dbraw/zinc/53/42/92/763534292.db2.gz IOCVCPOQRYCMRJ-LSDHHAIUSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc(C)n[nH]3)C2)CC1 ZINC001052010563 763577913 /nfs/dbraw/zinc/57/79/13/763577913.db2.gz BPOILRNCFYSGPV-QGZVFWFLSA-N 1 1 329.448 0.502 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1C ZINC001106322427 768146992 /nfs/dbraw/zinc/14/69/92/768146992.db2.gz OKAKLIBXTNKBAT-OAGGEKHMSA-N 1 1 336.480 0.457 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001031926304 763613467 /nfs/dbraw/zinc/61/34/67/763613467.db2.gz ZAUWIESXAKSORM-BHYGNILZSA-N 1 1 348.491 0.552 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001052025433 763616092 /nfs/dbraw/zinc/61/60/92/763616092.db2.gz DIDAOYHXCSENED-ROUUACIJSA-N 1 1 332.492 0.711 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cccc(C)c3=O)C2)CC1 ZINC001052028500 763623388 /nfs/dbraw/zinc/62/33/88/763623388.db2.gz PVZDCCXVKUDAPN-QGZVFWFLSA-N 1 1 342.443 0.008 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030233 763628327 /nfs/dbraw/zinc/62/83/27/763628327.db2.gz KCMOFJLCSDNCPV-IAGOWNOFSA-N 1 1 343.475 0.765 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031062 763630864 /nfs/dbraw/zinc/63/08/64/763630864.db2.gz DGBOICIXNMEKLQ-CEXWTWQISA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031062 763630869 /nfs/dbraw/zinc/63/08/69/763630869.db2.gz DGBOICIXNMEKLQ-CEXWTWQISA-N 1 1 346.519 0.959 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031403 763632072 /nfs/dbraw/zinc/63/20/72/763632072.db2.gz NBZMXWCHGZYDQO-CEXWTWQISA-N 1 1 346.519 0.959 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031339 763632659 /nfs/dbraw/zinc/63/26/59/763632659.db2.gz KDFSGDYVSGBLHL-GOSISDBHSA-N 1 1 343.475 0.687 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001052035236 763640313 /nfs/dbraw/zinc/64/03/13/763640313.db2.gz FGYQJDAKWLSISG-QZTJIDSGSA-N 1 1 332.492 0.713 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035302 763642062 /nfs/dbraw/zinc/64/20/62/763642062.db2.gz HIZLGOOBWCGZDD-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035302 763642067 /nfs/dbraw/zinc/64/20/67/763642067.db2.gz HIZLGOOBWCGZDD-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)CC1 ZINC001052040341 763661094 /nfs/dbraw/zinc/66/10/94/763661094.db2.gz CUDWDTUZFNMMIR-OAHLLOKOSA-N 1 1 345.447 0.405 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)CC1 ZINC001052040341 763661096 /nfs/dbraw/zinc/66/10/96/763661096.db2.gz CUDWDTUZFNMMIR-OAHLLOKOSA-N 1 1 345.447 0.405 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052040722 763664184 /nfs/dbraw/zinc/66/41/84/763664184.db2.gz GEMQNHGMXQWYAB-DLBZAZTESA-N 1 1 333.480 0.603 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cncc(OC)c3C)C2)CC1 ZINC001052042961 763672457 /nfs/dbraw/zinc/67/24/57/763672457.db2.gz LNEBCWXWQVXNRG-MRXNPFEDSA-N 1 1 342.443 0.864 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)nc3COC)C2)CC1 ZINC001052044684 763680175 /nfs/dbraw/zinc/68/01/75/763680175.db2.gz JLIUBDFWAIPBRG-HNNXBMFYSA-N 1 1 347.463 0.585 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]nc3CCC)C2)CC1 ZINC001052048047 763693991 /nfs/dbraw/zinc/69/39/91/763693991.db2.gz JJCLKCZUPKUGKF-OAHLLOKOSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(CC)[nH]c(=O)c3)C2)CC1 ZINC001052048674 763697887 /nfs/dbraw/zinc/69/78/87/763697887.db2.gz APJZGORZNWAUAX-QGZVFWFLSA-N 1 1 342.443 0.815 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052048710 763698013 /nfs/dbraw/zinc/69/80/13/763698013.db2.gz BYVVYCKVGXTOMU-SFHVURJKSA-N 1 1 343.475 0.742 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052052647 763717395 /nfs/dbraw/zinc/71/73/95/763717395.db2.gz SQJUFMITZUMELI-HNNXBMFYSA-N 1 1 329.404 0.072 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC001052058287 763733140 /nfs/dbraw/zinc/73/31/40/763733140.db2.gz WIJDTPAOTUFKIW-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC001052058287 763733145 /nfs/dbraw/zinc/73/31/45/763733145.db2.gz WIJDTPAOTUFKIW-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052059669 763737762 /nfs/dbraw/zinc/73/77/62/763737762.db2.gz LHZBCKZYRZEUKU-MRXNPFEDSA-N 1 1 344.463 0.322 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1CCC(=O)NC1 ZINC001015043188 763738457 /nfs/dbraw/zinc/73/84/57/763738457.db2.gz MEQVEWFPBFVCHZ-SJORKVTESA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCC(=O)NC1 ZINC001015043188 763738462 /nfs/dbraw/zinc/73/84/62/763738462.db2.gz MEQVEWFPBFVCHZ-SJORKVTESA-N 1 1 325.412 0.755 20 30 ECEDMO C=C1CCC(C(=O)NCC2C[NH+](CCN3C(=O)CCC3=O)C2)CC1 ZINC001031950012 763745386 /nfs/dbraw/zinc/74/53/86/763745386.db2.gz PHGCBPXTQQCZJE-UHFFFAOYSA-N 1 1 333.432 0.930 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001052068662 763763010 /nfs/dbraw/zinc/76/30/10/763763010.db2.gz MBAUWIQWTDMABE-RBUKOAKNSA-N 1 1 346.519 0.960 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)c1cncnc1 ZINC001052071062 763771200 /nfs/dbraw/zinc/77/12/00/763771200.db2.gz OXVKSLKGPDHSOZ-ZBFHGGJFSA-N 1 1 328.420 0.322 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071539 763772402 /nfs/dbraw/zinc/77/24/02/763772402.db2.gz VIKFTSFNYYHUGR-FHWLQOOXSA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071539 763772408 /nfs/dbraw/zinc/77/24/08/763772408.db2.gz VIKFTSFNYYHUGR-FHWLQOOXSA-N 1 1 346.519 0.959 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052078727 763790932 /nfs/dbraw/zinc/79/09/32/763790932.db2.gz AGRBIBWXXRHJFC-IAGOWNOFSA-N 1 1 346.475 0.287 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cn3nnc4c3CCCC4)CC2)C1 ZINC000941571035 763807012 /nfs/dbraw/zinc/80/70/12/763807012.db2.gz JNHPKWZTEFIAPA-UHFFFAOYSA-N 1 1 344.463 0.171 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccn(CC)n3)C2)CC1 ZINC001052092735 763834331 /nfs/dbraw/zinc/83/43/31/763834331.db2.gz HQKNCCDIVWNMNZ-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052096634 763848562 /nfs/dbraw/zinc/84/85/62/763848562.db2.gz NPNKUWUEDXDPIG-ULQDDVLXSA-N 1 1 332.448 0.710 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc4nc[nH]c43)C2)CC1 ZINC001052098790 763854587 /nfs/dbraw/zinc/85/45/87/763854587.db2.gz AOUUFIBDLUCJCY-CQSZACIVSA-N 1 1 338.415 0.919 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)COc3cccnc3)C2)CC1 ZINC001052098917 763856326 /nfs/dbraw/zinc/85/63/26/763856326.db2.gz QQJVFDTXIFSEGI-INIZCTEOSA-N 1 1 328.416 0.312 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccn4ccnc34)C2)CC1 ZINC001052099266 763857818 /nfs/dbraw/zinc/85/78/18/763857818.db2.gz XAVAVGVUEDCBRF-HNNXBMFYSA-N 1 1 338.415 0.690 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(C)nc3C)C2)CC1 ZINC001052100011 763860253 /nfs/dbraw/zinc/86/02/53/763860253.db2.gz XCFLQSPRDAXPIS-KRWDZBQOSA-N 1 1 341.459 0.949 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106344407 768171664 /nfs/dbraw/zinc/17/16/64/768171664.db2.gz MCBWWWJWTJPPHC-JSGCOSHPSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106344407 768171668 /nfs/dbraw/zinc/17/16/68/768171668.db2.gz MCBWWWJWTJPPHC-JSGCOSHPSA-N 1 1 332.408 0.376 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106168 763880523 /nfs/dbraw/zinc/88/05/23/763880523.db2.gz DMXODRINVONVFO-PKOBYXMFSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106168 763880530 /nfs/dbraw/zinc/88/05/30/763880530.db2.gz DMXODRINVONVFO-PKOBYXMFSA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cncn3C)C2)CC1 ZINC001052107638 763887274 /nfs/dbraw/zinc/88/72/74/763887274.db2.gz GQDJJIQHJLAVOF-MRXNPFEDSA-N 1 1 329.448 0.204 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ncccc2C#N)C1 ZINC001106344886 768172385 /nfs/dbraw/zinc/17/23/85/768172385.db2.gz RHKOLJXBQFPADR-HIFRSBDPSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ncccc2C#N)C1 ZINC001106344886 768172393 /nfs/dbraw/zinc/17/23/93/768172393.db2.gz RHKOLJXBQFPADR-HIFRSBDPSA-N 1 1 331.420 0.981 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn4ccccc4n3)C2)CC1 ZINC001052113523 763911998 /nfs/dbraw/zinc/91/19/98/763911998.db2.gz XSYYHRLMEFZXAW-MRXNPFEDSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)CC1 ZINC001052117144 763927100 /nfs/dbraw/zinc/92/71/00/763927100.db2.gz HQQIPEQEVYEDRC-INIZCTEOSA-N 1 1 329.448 0.421 20 30 ECEDMO Cn1cc(CCC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052119313 763936870 /nfs/dbraw/zinc/93/68/70/763936870.db2.gz OUZQAKHQBDZQDH-MRXNPFEDSA-N 1 1 330.436 0.095 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121855 763943857 /nfs/dbraw/zinc/94/38/57/763943857.db2.gz ITJOAKVURBHIJB-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121855 763943859 /nfs/dbraw/zinc/94/38/59/763943859.db2.gz ITJOAKVURBHIJB-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047321918 763990110 /nfs/dbraw/zinc/99/01/10/763990110.db2.gz KUXOUTIAHUENLO-IKGGRYGDSA-N 1 1 329.400 0.598 20 30 ECEDMO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047321918 763990111 /nfs/dbraw/zinc/99/01/11/763990111.db2.gz KUXOUTIAHUENLO-IKGGRYGDSA-N 1 1 329.400 0.598 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001047337569 764045349 /nfs/dbraw/zinc/04/53/49/764045349.db2.gz GHYRVRBYZMVSNJ-BPUTZDHNSA-N 1 1 332.404 0.573 20 30 ECEDMO CCOC1CC(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001047338630 764047269 /nfs/dbraw/zinc/04/72/69/764047269.db2.gz ZQXOTPCZBXBEFD-KNHPQMQCSA-N 1 1 346.431 0.819 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001047353578 764088347 /nfs/dbraw/zinc/08/83/47/764088347.db2.gz GOKRGNXSBFSJMH-HOTGVXAUSA-N 1 1 332.404 0.430 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001047383438 764177119 /nfs/dbraw/zinc/17/71/19/764177119.db2.gz BQJYWSCSZYKEAB-OWSLCNJRSA-N 1 1 343.427 0.686 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)OCCC=C)C1 ZINC001111642962 764180594 /nfs/dbraw/zinc/18/05/94/764180594.db2.gz RPURSPNIZVIVOV-GJYPPUQNSA-N 1 1 347.459 0.688 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)OCCC=C)C1 ZINC001111642962 764180605 /nfs/dbraw/zinc/18/06/05/764180605.db2.gz RPURSPNIZVIVOV-GJYPPUQNSA-N 1 1 347.459 0.688 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001106976169 764186725 /nfs/dbraw/zinc/18/67/25/764186725.db2.gz WACCJDDTKJBQKW-HUUCEWRRSA-N 1 1 344.419 0.472 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001047392578 764197594 /nfs/dbraw/zinc/19/75/94/764197594.db2.gz OWZJOZLXSWCXFF-JYJNAYRXSA-N 1 1 335.448 0.162 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001047392578 764197602 /nfs/dbraw/zinc/19/76/02/764197602.db2.gz OWZJOZLXSWCXFF-JYJNAYRXSA-N 1 1 335.448 0.162 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001047394787 764203855 /nfs/dbraw/zinc/20/38/55/764203855.db2.gz UAJYKGVMMUPOON-HOTGVXAUSA-N 1 1 327.384 0.322 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001047394787 764203863 /nfs/dbraw/zinc/20/38/63/764203863.db2.gz UAJYKGVMMUPOON-HOTGVXAUSA-N 1 1 327.384 0.322 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 ZINC001047406184 764242145 /nfs/dbraw/zinc/24/21/45/764242145.db2.gz QSIPOIKXIRBGHJ-RDBSUJKOSA-N 1 1 348.451 0.058 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 ZINC001047406184 764242147 /nfs/dbraw/zinc/24/21/47/764242147.db2.gz QSIPOIKXIRBGHJ-RDBSUJKOSA-N 1 1 348.451 0.058 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001047412602 764265155 /nfs/dbraw/zinc/26/51/55/764265155.db2.gz ATGCHTAPYRHJMG-RLFYNMQTSA-N 1 1 335.448 0.372 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001047412602 764265162 /nfs/dbraw/zinc/26/51/62/764265162.db2.gz ATGCHTAPYRHJMG-RLFYNMQTSA-N 1 1 335.448 0.372 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001047414359 764270828 /nfs/dbraw/zinc/27/08/28/764270828.db2.gz GNDCCEDWTRBJSS-FXUDXRNXSA-N 1 1 346.431 0.025 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001047414359 764270831 /nfs/dbraw/zinc/27/08/31/764270831.db2.gz GNDCCEDWTRBJSS-FXUDXRNXSA-N 1 1 346.431 0.025 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001047415110 764273864 /nfs/dbraw/zinc/27/38/64/764273864.db2.gz HJHSDDWMVCUZNX-QZWWFDLISA-N 1 1 348.447 0.577 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001047415110 764273871 /nfs/dbraw/zinc/27/38/71/764273871.db2.gz HJHSDDWMVCUZNX-QZWWFDLISA-N 1 1 348.447 0.577 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cncnc3)CC2)C1=O ZINC001052332724 764278855 /nfs/dbraw/zinc/27/88/55/764278855.db2.gz YELGRGNJZFLIKF-CVEARBPZSA-N 1 1 343.431 0.848 20 30 ECEDMO COC1CC(C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001047420287 764290327 /nfs/dbraw/zinc/29/03/27/764290327.db2.gz HGHLUEFQPNOTGG-FOIPXRHGSA-N 1 1 343.427 0.987 20 30 ECEDMO COC1CC(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001047420287 764290338 /nfs/dbraw/zinc/29/03/38/764290338.db2.gz HGHLUEFQPNOTGG-FOIPXRHGSA-N 1 1 343.427 0.987 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001047432716 764329237 /nfs/dbraw/zinc/32/92/37/764329237.db2.gz ZMTNFKTZHHTQOJ-PMPSAXMXSA-N 1 1 332.448 0.915 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn3ccc(C)cc23)C1 ZINC001047439034 764346894 /nfs/dbraw/zinc/34/68/94/764346894.db2.gz ZKVOEYCYJABCQI-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001047445849 764368890 /nfs/dbraw/zinc/36/88/90/764368890.db2.gz NSFWYUAIKWYUCQ-IRXDYDNUSA-N 1 1 343.427 0.899 20 30 ECEDMO N#CCOc1ccc(C[NH+]2CC(CNC(=O)c3cnon3)C2)cc1 ZINC001032063491 764389515 /nfs/dbraw/zinc/38/95/15/764389515.db2.gz CWBRNKGGKSJJTR-UHFFFAOYSA-N 1 1 327.344 0.834 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3ccc(F)cc3O2)C1 ZINC001047457530 764402818 /nfs/dbraw/zinc/40/28/18/764402818.db2.gz AWZOLMJCOAOYIS-HRCADAONSA-N 1 1 332.375 0.656 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3ccc(F)cc3O2)C1 ZINC001047457530 764402822 /nfs/dbraw/zinc/40/28/22/764402822.db2.gz AWZOLMJCOAOYIS-HRCADAONSA-N 1 1 332.375 0.656 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC001047460253 764412180 /nfs/dbraw/zinc/41/21/80/764412180.db2.gz BHEXBKAHVXOBFY-QWRGUYRKSA-N 1 1 344.337 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001047468852 764430326 /nfs/dbraw/zinc/43/03/26/764430326.db2.gz XSQDUPLMJDCQMV-PMPSAXMXSA-N 1 1 347.463 0.619 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001047477074 764455511 /nfs/dbraw/zinc/45/55/11/764455511.db2.gz YBKCSQXIGZJFKT-IRXDYDNUSA-N 1 1 328.412 0.691 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001047477074 764455514 /nfs/dbraw/zinc/45/55/14/764455514.db2.gz YBKCSQXIGZJFKT-IRXDYDNUSA-N 1 1 328.412 0.691 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001047479082 764463305 /nfs/dbraw/zinc/46/33/05/764463305.db2.gz KJYATQZDUAIHGI-ROUUACIJSA-N 1 1 343.427 0.810 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001047479082 764463308 /nfs/dbraw/zinc/46/33/08/764463308.db2.gz KJYATQZDUAIHGI-ROUUACIJSA-N 1 1 343.427 0.810 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001047479293 764464685 /nfs/dbraw/zinc/46/46/85/764464685.db2.gz IINNNVRSZRSHNF-GJZGRUSLSA-N 1 1 325.372 0.018 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001047479293 764464686 /nfs/dbraw/zinc/46/46/86/764464686.db2.gz IINNNVRSZRSHNF-GJZGRUSLSA-N 1 1 325.372 0.018 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)CC1 ZINC001052439789 764499279 /nfs/dbraw/zinc/49/92/79/764499279.db2.gz SSLUYAGLQUEVQI-LBPRGKRZSA-N 1 1 327.388 0.891 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001047498397 764515536 /nfs/dbraw/zinc/51/55/36/764515536.db2.gz TZITVECZPUMHKB-KKUMJFAQSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089874042 764527229 /nfs/dbraw/zinc/52/72/29/764527229.db2.gz CEXINPLZVYKCQJ-ATGSNQNLSA-N 1 1 331.416 0.394 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cncc(C)c3)C2)C1=O ZINC001015409763 764555786 /nfs/dbraw/zinc/55/57/86/764555786.db2.gz UYCLXXOAKOESKF-IRXDYDNUSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cncc(C)c3)C2)C1=O ZINC001015409763 764555790 /nfs/dbraw/zinc/55/57/90/764555790.db2.gz UYCLXXOAKOESKF-IRXDYDNUSA-N 1 1 342.443 0.910 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001047553162 764674756 /nfs/dbraw/zinc/67/47/56/764674756.db2.gz RAUKSCSKVPRJQQ-HOTGVXAUSA-N 1 1 331.416 0.255 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001047553162 764674759 /nfs/dbraw/zinc/67/47/59/764674759.db2.gz RAUKSCSKVPRJQQ-HOTGVXAUSA-N 1 1 331.416 0.255 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)nn1 ZINC001047554190 764678422 /nfs/dbraw/zinc/67/84/22/764678422.db2.gz NUAIVTCTYWUYBZ-HOTGVXAUSA-N 1 1 349.435 0.008 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cncn3C)CC2)C1=O ZINC001052532361 764706790 /nfs/dbraw/zinc/70/67/90/764706790.db2.gz DQOMLONGCSGUDE-LSDHHAIUSA-N 1 1 345.447 0.791 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001047566963 764712156 /nfs/dbraw/zinc/71/21/56/764712156.db2.gz XLOHOXXEBHNGPP-QWRGUYRKSA-N 1 1 330.310 0.569 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001047566963 764712166 /nfs/dbraw/zinc/71/21/66/764712166.db2.gz XLOHOXXEBHNGPP-QWRGUYRKSA-N 1 1 330.310 0.569 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001047572461 764732673 /nfs/dbraw/zinc/73/26/73/764732673.db2.gz NMLWGCCCNXOYOA-ULQDDVLXSA-N 1 1 341.411 0.388 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001047572461 764732680 /nfs/dbraw/zinc/73/26/80/764732680.db2.gz NMLWGCCCNXOYOA-ULQDDVLXSA-N 1 1 341.411 0.388 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1OC ZINC001212193538 764744444 /nfs/dbraw/zinc/74/44/44/764744444.db2.gz GVZUIVUMCRFZHL-LMMKCTJWSA-N 1 1 348.443 0.821 20 30 ECEDMO CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047581164 764767440 /nfs/dbraw/zinc/76/74/40/764767440.db2.gz LKUHNSIJSZDLTA-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc(COC)c2)C1 ZINC001047593442 764812365 /nfs/dbraw/zinc/81/23/65/764812365.db2.gz DKPCKIXHSLYCHJ-ROUUACIJSA-N 1 1 330.428 0.902 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC001052593935 764817435 /nfs/dbraw/zinc/81/74/35/764817435.db2.gz HTXGVKAKUXCESO-GJZGRUSLSA-N 1 1 343.418 0.946 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001052598821 764827189 /nfs/dbraw/zinc/82/71/89/764827189.db2.gz JLXFZLGZMOZGLS-GDBMZVCRSA-N 1 1 346.431 0.442 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC001052603408 764835334 /nfs/dbraw/zinc/83/53/34/764835334.db2.gz WRGINNCSSWIFNS-OAHLLOKOSA-N 1 1 341.415 0.490 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+](CC[C@@H](C)F)C[C@@H]1O ZINC001047601941 764846870 /nfs/dbraw/zinc/84/68/70/764846870.db2.gz RENLGUJKALOXFC-KBMXLJTQSA-N 1 1 349.406 0.959 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(OC)c2OC)C1 ZINC001047609128 764868483 /nfs/dbraw/zinc/86/84/83/764868483.db2.gz JUQKQEIABTYWSC-GJZGRUSLSA-N 1 1 332.400 0.844 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(OC)c2OC)C1 ZINC001047609128 764868493 /nfs/dbraw/zinc/86/84/93/764868493.db2.gz JUQKQEIABTYWSC-GJZGRUSLSA-N 1 1 332.400 0.844 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001047614255 764884636 /nfs/dbraw/zinc/88/46/36/764884636.db2.gz FOALNDRPFHGACV-COXVUDFISA-N 1 1 330.432 0.606 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015529970 764897005 /nfs/dbraw/zinc/89/70/05/764897005.db2.gz HJRPFLBWOSDSRF-SJORKVTESA-N 1 1 325.412 0.849 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015529970 764897011 /nfs/dbraw/zinc/89/70/11/764897011.db2.gz HJRPFLBWOSDSRF-SJORKVTESA-N 1 1 325.412 0.849 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1=O ZINC001015544357 764921772 /nfs/dbraw/zinc/92/17/72/764921772.db2.gz DROQXFVVFYHLCP-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC001015545167 764922551 /nfs/dbraw/zinc/92/25/51/764922551.db2.gz JHQCTCFKBQIGIG-CYBMUJFWSA-N 1 1 341.375 0.117 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC001015545167 764922553 /nfs/dbraw/zinc/92/25/53/764922553.db2.gz JHQCTCFKBQIGIG-CYBMUJFWSA-N 1 1 341.375 0.117 20 30 ECEDMO CC#CCNCc1cn([C@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001098774907 764977876 /nfs/dbraw/zinc/97/78/76/764977876.db2.gz UNJOKDCSGSLFSF-KRWDZBQOSA-N 1 1 346.479 0.896 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000991978089 765034904 /nfs/dbraw/zinc/03/49/04/765034904.db2.gz UMKSECYRUVALLG-JYJNAYRXSA-N 1 1 335.448 0.779 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001099102315 765054244 /nfs/dbraw/zinc/05/42/44/765054244.db2.gz LSYALZMBOZDTOP-AWEZNQCLSA-N 1 1 343.493 0.508 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccnnc3)CC2)C1=O ZINC001052742981 765058761 /nfs/dbraw/zinc/05/87/61/765058761.db2.gz RGSHZKJFHFBVHN-JKSUJKDBSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3nccn3C)CC2)nn1 ZINC001052775505 765099106 /nfs/dbraw/zinc/09/91/06/765099106.db2.gz VXVNDLHBLFGZMM-AWEZNQCLSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3nccn3C)CC2)nn1 ZINC001052775505 765099114 /nfs/dbraw/zinc/09/91/14/765099114.db2.gz VXVNDLHBLFGZMM-AWEZNQCLSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)nn1 ZINC001052777603 765102847 /nfs/dbraw/zinc/10/28/47/765102847.db2.gz DMTULJQDGZUJCV-UONOGXRCSA-N 1 1 348.451 0.573 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)ccc1F ZINC001015633535 765105806 /nfs/dbraw/zinc/10/58/06/765105806.db2.gz HDSCKQDDYPDYRH-TZMCWYRMSA-N 1 1 331.351 0.069 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)ccc1F ZINC001015633535 765105807 /nfs/dbraw/zinc/10/58/07/765105807.db2.gz HDSCKQDDYPDYRH-TZMCWYRMSA-N 1 1 331.351 0.069 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn(C)n3)CC2)C1=O ZINC001052792121 765130291 /nfs/dbraw/zinc/13/02/91/765130291.db2.gz LHTXMMXIRNJKRG-UKRRQHHQSA-N 1 1 346.435 0.186 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CC1 ZINC001015659819 765135195 /nfs/dbraw/zinc/13/51/95/765135195.db2.gz LCCFWIPRTHLPPP-INIZCTEOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CC1 ZINC001015659819 765135202 /nfs/dbraw/zinc/13/52/02/765135202.db2.gz LCCFWIPRTHLPPP-INIZCTEOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC001015678887 765150341 /nfs/dbraw/zinc/15/03/41/765150341.db2.gz PKIZXFXXFWMDFN-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC001015678887 765150346 /nfs/dbraw/zinc/15/03/46/765150346.db2.gz PKIZXFXXFWMDFN-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001015720399 765236491 /nfs/dbraw/zinc/23/64/91/765236491.db2.gz AHWDWGWNLBDESO-OAGGEKHMSA-N 1 1 331.416 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)nc1 ZINC001052875097 765275644 /nfs/dbraw/zinc/27/56/44/765275644.db2.gz LPXGOEURFCYWBU-RDJZCZTQSA-N 1 1 340.427 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)CC2)cn1 ZINC001052879187 765287416 /nfs/dbraw/zinc/28/74/16/765287416.db2.gz QSEKQMQCMPNEML-HZPDHXFCSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001015809390 765367492 /nfs/dbraw/zinc/36/74/92/765367492.db2.gz NJZZLZDSZVXJBZ-GDBMZVCRSA-N 1 1 327.384 0.391 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001015809390 765367497 /nfs/dbraw/zinc/36/74/97/765367497.db2.gz NJZZLZDSZVXJBZ-GDBMZVCRSA-N 1 1 327.384 0.391 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001015820052 765382165 /nfs/dbraw/zinc/38/21/65/765382165.db2.gz XHAJMZOIYVMFGA-JYJNAYRXSA-N 1 1 333.436 0.840 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3nc(C)n(-c4nc[nH]n4)n3)CCC[C@@H]12 ZINC000992074644 765385532 /nfs/dbraw/zinc/38/55/32/765385532.db2.gz XCGNYLFROAFKQL-WBMJQRKESA-N 1 1 342.407 0.607 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001015829286 765393112 /nfs/dbraw/zinc/39/31/12/765393112.db2.gz QHIODNYPJRZNJQ-KEYYUXOJSA-N 1 1 349.431 0.307 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN([C@@H](C)C(N)=O)CC2)CC1 ZINC001052954557 765410881 /nfs/dbraw/zinc/41/08/81/765410881.db2.gz OXDISGJRXMETKL-GOEBONIOSA-N 1 1 334.464 0.176 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(CC(=O)N(C)C)CC2)CC1 ZINC001052957490 765412980 /nfs/dbraw/zinc/41/29/80/765412980.db2.gz FRSXXYGYNJRIEV-QGZVFWFLSA-N 1 1 348.491 0.391 20 30 ECEDMO CN(CCOCCNc1nccnc1C#N)C(=O)[C@H]1CCC[N@H+]1C ZINC001127233628 765482959 /nfs/dbraw/zinc/48/29/59/765482959.db2.gz VCXJTTZNGVDGKH-CQSZACIVSA-N 1 1 332.408 0.329 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001053036004 765511915 /nfs/dbraw/zinc/51/19/15/765511915.db2.gz GURKNGCNOWYKCW-GJZGRUSLSA-N 1 1 328.416 0.967 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001053037386 765513835 /nfs/dbraw/zinc/51/38/35/765513835.db2.gz ZIOFOUHSKNIAMD-CABCVRRESA-N 1 1 330.436 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001053044625 765521891 /nfs/dbraw/zinc/52/18/91/765521891.db2.gz QUNHOHQCQBJCLN-HUUCEWRRSA-N 1 1 345.443 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCn3cnnn3)C2)C1 ZINC001053047038 765524426 /nfs/dbraw/zinc/52/44/26/765524426.db2.gz OYKAUCWVJNTTSB-JKSUJKDBSA-N 1 1 330.436 0.647 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C2)nc1 ZINC001016026052 765730135 /nfs/dbraw/zinc/73/01/35/765730135.db2.gz CLPVNIIWDYLZDC-NVXWUHKLSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C2)nc1 ZINC001016026052 765730138 /nfs/dbraw/zinc/73/01/38/765730138.db2.gz CLPVNIIWDYLZDC-NVXWUHKLSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C2)cn1 ZINC001016035487 765736398 /nfs/dbraw/zinc/73/63/98/765736398.db2.gz WCAYNIXNJIBUAB-SJORKVTESA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C2)cn1 ZINC001016035487 765736402 /nfs/dbraw/zinc/73/64/02/765736402.db2.gz WCAYNIXNJIBUAB-SJORKVTESA-N 1 1 340.427 0.876 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCOC4)C3)C2)[nH]1 ZINC001053223743 765787577 /nfs/dbraw/zinc/78/75/77/765787577.db2.gz GFVIUXMQOOSTLK-CQSZACIVSA-N 1 1 344.415 0.840 20 30 ECEDMO C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263659 765865683 /nfs/dbraw/zinc/86/56/83/765865683.db2.gz UASHZFZPXZRIFD-HZPDHXFCSA-N 1 1 335.448 0.339 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCOC2(C[NH+](CCC3CC3)C2)C1 ZINC001053291408 765920378 /nfs/dbraw/zinc/92/03/78/765920378.db2.gz NLECOLTZLOZTJI-KRWDZBQOSA-N 1 1 331.460 0.797 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCCC(=O)N1)CCO2 ZINC001053334234 765992458 /nfs/dbraw/zinc/99/24/58/765992458.db2.gz RPGFXUAGCHYSOD-OAHLLOKOSA-N 1 1 335.448 0.925 20 30 ECEDMO C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001016261270 765999327 /nfs/dbraw/zinc/99/93/27/765999327.db2.gz WGHXOTNRMSIWTF-HUUCEWRRSA-N 1 1 331.420 0.169 20 30 ECEDMO C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)CCO2 ZINC001053347251 766009590 /nfs/dbraw/zinc/00/95/90/766009590.db2.gz CLLAOOAFMCBVIE-PQUAAJSLSA-N 1 1 347.459 0.339 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(C)nc3)C2)C1=O ZINC001016272640 766016655 /nfs/dbraw/zinc/01/66/55/766016655.db2.gz OHDQUOVDPBIWKH-SJORKVTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3ccc(C)nc3)C2)C1=O ZINC001016272640 766016658 /nfs/dbraw/zinc/01/66/58/766016658.db2.gz OHDQUOVDPBIWKH-SJORKVTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)COc1cnn(C)c1)CCO2 ZINC001053396709 766079515 /nfs/dbraw/zinc/07/95/15/766079515.db2.gz GIEKIYIQYPRLNH-UHFFFAOYSA-N 1 1 334.420 0.678 20 30 ECEDMO CCN1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306521 766084085 /nfs/dbraw/zinc/08/40/85/766084085.db2.gz PPSFOMKNIBCOQH-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO CCN1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306521 766084091 /nfs/dbraw/zinc/08/40/91/766084091.db2.gz PPSFOMKNIBCOQH-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)[C@@H](O)C1 ZINC001083684495 766091602 /nfs/dbraw/zinc/09/16/02/766091602.db2.gz ZBLJOJCXFGCYDQ-IMJJTQAJSA-N 1 1 327.384 0.297 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCC[C@H]2C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC001089224773 766134616 /nfs/dbraw/zinc/13/46/16/766134616.db2.gz SBRORPJGAYYLLL-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)nn1 ZINC000992304536 766215884 /nfs/dbraw/zinc/21/58/84/766215884.db2.gz MOGFCPHMQKIJMP-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)nn1 ZINC000992304536 766215886 /nfs/dbraw/zinc/21/58/86/766215886.db2.gz MOGFCPHMQKIJMP-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)c1cnn(-c3cc[nH+]cc3)c1)CCO2 ZINC001053485207 766218220 /nfs/dbraw/zinc/21/82/20/766218220.db2.gz FMYARADFXHEHNR-UHFFFAOYSA-N 1 1 339.399 0.980 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H](C)C(N)=O)CC3)nn1 ZINC000992313575 766240300 /nfs/dbraw/zinc/24/03/00/766240300.db2.gz DKWMPTBMOUKDIS-MRRJBJDNSA-N 1 1 346.435 0.455 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@H](C)C(N)=O)CC3)nn1 ZINC000992313575 766240307 /nfs/dbraw/zinc/24/03/07/766240307.db2.gz DKWMPTBMOUKDIS-MRRJBJDNSA-N 1 1 346.435 0.455 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)c1 ZINC001016411485 766250071 /nfs/dbraw/zinc/25/00/71/766250071.db2.gz QAMALYULWXTTBK-HOTGVXAUSA-N 1 1 341.415 0.792 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106126025 766267471 /nfs/dbraw/zinc/26/74/71/766267471.db2.gz GBOWGBKPOTTXSY-AWEZNQCLSA-N 1 1 342.403 0.862 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4cnon4)CCC[C@H]23)C1=O ZINC000992344808 766329688 /nfs/dbraw/zinc/32/96/88/766329688.db2.gz JFDSSWUMWBWDMM-GRDNDAEWSA-N 1 1 345.403 0.583 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@H]12 ZINC000992343640 766332651 /nfs/dbraw/zinc/33/26/51/766332651.db2.gz PORSFUQEMJDEDF-DNGFJYGXSA-N 1 1 346.431 0.664 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@@H]12 ZINC000992348754 766342500 /nfs/dbraw/zinc/34/25/00/766342500.db2.gz XOJZSMBWSSBSLD-LSMROLGWSA-N 1 1 332.404 0.274 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001045768962 766345952 /nfs/dbraw/zinc/34/59/52/766345952.db2.gz VLPLPVJPRREODH-UHFFFAOYSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001045776946 766356555 /nfs/dbraw/zinc/35/65/55/766356555.db2.gz AIPXQFRFUGMRRV-MRXNPFEDSA-N 1 1 325.453 0.620 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2O)cc1 ZINC001083691321 766361689 /nfs/dbraw/zinc/36/16/89/766361689.db2.gz JSMPRNKPHCAIOY-MSOLQXFVSA-N 1 1 338.411 0.419 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)cc1 ZINC001083691321 766361696 /nfs/dbraw/zinc/36/16/96/766361696.db2.gz JSMPRNKPHCAIOY-MSOLQXFVSA-N 1 1 338.411 0.419 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001045783013 766365279 /nfs/dbraw/zinc/36/52/79/766365279.db2.gz OQIULNNEJCSHRW-WMLDXEAASA-N 1 1 337.464 0.620 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001045784956 766367973 /nfs/dbraw/zinc/36/79/73/766367973.db2.gz HELYIOLOXBROKJ-CPUCHLNUSA-N 1 1 337.464 0.618 20 30 ECEDMO CO[C@H](C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)O2 ZINC001053587658 766380231 /nfs/dbraw/zinc/38/02/31/766380231.db2.gz HWESVDBMKXBEHS-OCCSQVGLSA-N 1 1 332.404 0.884 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000992370092 766410218 /nfs/dbraw/zinc/41/02/18/766410218.db2.gz CYCXGNJWUREZHD-DZGCQCFKSA-N 1 1 329.404 0.557 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251049 766423779 /nfs/dbraw/zinc/42/37/79/766423779.db2.gz NUQPOQCCZKUGHU-IAGOWNOFSA-N 1 1 340.383 0.952 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251049 766423785 /nfs/dbraw/zinc/42/37/85/766423785.db2.gz NUQPOQCCZKUGHU-IAGOWNOFSA-N 1 1 340.383 0.952 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)c1 ZINC001045844774 766426383 /nfs/dbraw/zinc/42/63/83/766426383.db2.gz LATZNQWDGVUVNX-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC)c1 ZINC001045844774 766426388 /nfs/dbraw/zinc/42/63/88/766426388.db2.gz LATZNQWDGVUVNX-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCCO)nn1 ZINC001045861924 766441301 /nfs/dbraw/zinc/44/13/01/766441301.db2.gz KXTSCBBCJCJKCW-CABCVRRESA-N 1 1 333.436 0.916 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CS(C)(=O)=O)C2 ZINC001045920802 766493259 /nfs/dbraw/zinc/49/32/59/766493259.db2.gz ZZGHWKZKKJPVTM-INIZCTEOSA-N 1 1 326.462 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CS(C)(=O)=O)C2 ZINC001045920802 766493263 /nfs/dbraw/zinc/49/32/63/766493263.db2.gz ZZGHWKZKKJPVTM-INIZCTEOSA-N 1 1 326.462 0.759 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)O2 ZINC001053638902 766494869 /nfs/dbraw/zinc/49/48/69/766494869.db2.gz ZRAVKQAJHLCRGM-HUUCEWRRSA-N 1 1 333.432 0.276 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC[C@]2(CC[N@H+](CCS(C)(=O)=O)C2)C1 ZINC001045923983 766496837 /nfs/dbraw/zinc/49/68/37/766496837.db2.gz FQLPZOAWTYMKIO-GOEBONIOSA-N 1 1 341.477 0.895 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC[C@]2(CC[N@@H+](CCS(C)(=O)=O)C2)C1 ZINC001045923983 766496838 /nfs/dbraw/zinc/49/68/38/766496838.db2.gz FQLPZOAWTYMKIO-GOEBONIOSA-N 1 1 341.477 0.895 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@@H](C)C(=O)NC)CC3)cn1 ZINC000992409426 766509307 /nfs/dbraw/zinc/50/93/07/766509307.db2.gz MTHYZOGASAWZGK-AXHNFQJDSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCOCC1=O)C2 ZINC001045943881 766514138 /nfs/dbraw/zinc/51/41/38/766514138.db2.gz QNCONLFXXKEZHB-SFHVURJKSA-N 1 1 335.448 0.736 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)S(C)(=O)=O)C2 ZINC001045948024 766518518 /nfs/dbraw/zinc/51/85/18/766518518.db2.gz SQWBVEXHOBUKAS-GOEBONIOSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)S(C)(=O)=O)C2 ZINC001045948024 766518524 /nfs/dbraw/zinc/51/85/24/766518524.db2.gz SQWBVEXHOBUKAS-GOEBONIOSA-N 1 1 326.462 0.757 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001045955293 766526037 /nfs/dbraw/zinc/52/60/37/766526037.db2.gz BZEJFKORRGCGFM-LJQANCHMSA-N 1 1 348.491 0.699 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nccn3ccnc13)O2 ZINC001053661375 766532419 /nfs/dbraw/zinc/53/24/19/766532419.db2.gz WPEFTDDNSHJNMQ-AWEZNQCLSA-N 1 1 339.399 0.716 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc4n(c3=O)CCCC4)CCC[C@H]12 ZINC000992428827 766549965 /nfs/dbraw/zinc/54/99/65/766549965.db2.gz NEQORZNYZRATJY-KSSFIOAISA-N 1 1 345.447 0.680 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001045983754 766554343 /nfs/dbraw/zinc/55/43/43/766554343.db2.gz QUABZHRGYGACLL-GOSISDBHSA-N 1 1 346.431 0.990 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001045983539 766554650 /nfs/dbraw/zinc/55/46/50/766554650.db2.gz PHSGBDFQMYWQPK-GOSISDBHSA-N 1 1 348.447 0.771 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001045983497 766554745 /nfs/dbraw/zinc/55/47/45/766554745.db2.gz ONEUPHYNPCHHSV-GOSISDBHSA-N 1 1 346.431 0.266 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001045983334 766554763 /nfs/dbraw/zinc/55/47/63/766554763.db2.gz MNVIKYVUZZSMEM-RDTXWAMCSA-N 1 1 346.431 0.312 20 30 ECEDMO COCC(=O)N1CCN([C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC001045989196 766564465 /nfs/dbraw/zinc/56/44/65/766564465.db2.gz DNLWGIZAKAQNSU-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(OC)nn1)O2 ZINC001053683871 766579298 /nfs/dbraw/zinc/57/92/98/766579298.db2.gz XCUQPZRJHZKANJ-CYBMUJFWSA-N 1 1 330.388 0.472 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(C(C)C)nn1)O2 ZINC001053685294 766583876 /nfs/dbraw/zinc/58/38/76/766583876.db2.gz MABQAGSAYXXFMV-AWEZNQCLSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(N(C)C)nn1)O2 ZINC001053686473 766587737 /nfs/dbraw/zinc/58/77/37/766587737.db2.gz QOVGBXMWUXUXCQ-CQSZACIVSA-N 1 1 343.431 0.529 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(C)cn3)CC2)C1 ZINC001045999881 766598524 /nfs/dbraw/zinc/59/85/24/766598524.db2.gz TYOLXTNXELPNCN-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC(=O)N(C)C1)O2 ZINC001053701155 766622280 /nfs/dbraw/zinc/62/22/80/766622280.db2.gz NNJKHCQKPQBMAB-GJZGRUSLSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001046011660 766637355 /nfs/dbraw/zinc/63/73/55/766637355.db2.gz FRXDDIWNKPMULK-JKSUJKDBSA-N 1 1 330.436 0.261 20 30 ECEDMO COc1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)on1 ZINC001046012068 766638560 /nfs/dbraw/zinc/63/85/60/766638560.db2.gz KKPYTMGNWFDNMO-ZIAGYGMSSA-N 1 1 347.419 0.561 20 30 ECEDMO COc1cc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)on1 ZINC001046012068 766638564 /nfs/dbraw/zinc/63/85/64/766638564.db2.gz KKPYTMGNWFDNMO-ZIAGYGMSSA-N 1 1 347.419 0.561 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3C)CC2)C1 ZINC001046013780 766645711 /nfs/dbraw/zinc/64/57/11/766645711.db2.gz JXXRLJIGWVGPKN-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3COCCN3C)CC2)C1 ZINC001046019753 766660622 /nfs/dbraw/zinc/66/06/22/766660622.db2.gz IREGLBNQWFQPGD-IAGOWNOFSA-N 1 1 336.480 0.112 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3COCCN3C)CC2)C1 ZINC001046019827 766660854 /nfs/dbraw/zinc/66/08/54/766660854.db2.gz LAUSAOWPZZRDEC-IAGOWNOFSA-N 1 1 336.480 0.112 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3N)CC2)C1 ZINC001046022452 766668484 /nfs/dbraw/zinc/66/84/84/766668484.db2.gz ROIRRBAMEHLQGZ-AWEZNQCLSA-N 1 1 332.452 0.411 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc(C)o3)CC2)C1 ZINC001046026536 766682375 /nfs/dbraw/zinc/68/23/75/766682375.db2.gz ZDCSBWVMGDRRSK-HNNXBMFYSA-N 1 1 333.436 0.715 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3ccnn3C)CC2)C1 ZINC001046026662 766684277 /nfs/dbraw/zinc/68/42/77/766684277.db2.gz GOWRDFQWCJXSTF-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO Cn1ccc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)n1 ZINC001046027544 766687367 /nfs/dbraw/zinc/68/73/67/766687367.db2.gz PKGGRJGKCCRTPC-GOSISDBHSA-N 1 1 341.459 0.552 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)n1 ZINC001046027544 766687371 /nfs/dbraw/zinc/68/73/71/766687371.db2.gz PKGGRJGKCCRTPC-GOSISDBHSA-N 1 1 341.459 0.552 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046028406 766691160 /nfs/dbraw/zinc/69/11/60/766691160.db2.gz BHQXRJUIXUBDCI-SJORKVTESA-N 1 1 333.480 0.601 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@H]12 ZINC000992488605 766694436 /nfs/dbraw/zinc/69/44/36/766694436.db2.gz APHSEXHHQLFPIP-IJEWVQPXSA-N 1 1 341.477 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncc(C)cc2C)C1 ZINC000994750976 766695599 /nfs/dbraw/zinc/69/55/99/766695599.db2.gz KBUNBPOOCQNWFN-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncc(C)cc2C)C1 ZINC000994750976 766695605 /nfs/dbraw/zinc/69/56/05/766695605.db2.gz KBUNBPOOCQNWFN-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cn2ccnc2)C1 ZINC001016669853 766697726 /nfs/dbraw/zinc/69/77/26/766697726.db2.gz DLFGIJPZPUSWFM-GPANFISMSA-N 1 1 343.431 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cn2ccnc2)C1 ZINC001016669853 766697729 /nfs/dbraw/zinc/69/77/29/766697729.db2.gz DLFGIJPZPUSWFM-GPANFISMSA-N 1 1 343.431 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2csnn2)C1 ZINC001016670128 766698765 /nfs/dbraw/zinc/69/87/65/766698765.db2.gz JBODFOQIOQBAOA-YIZWMMSDSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2csnn2)C1 ZINC001016670128 766698768 /nfs/dbraw/zinc/69/87/68/766698768.db2.gz JBODFOQIOQBAOA-YIZWMMSDSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cc(F)c[nH]2)C1 ZINC001016670103 766698949 /nfs/dbraw/zinc/69/89/49/766698949.db2.gz IJXJRKSYKYSTOE-XUJLQICISA-N 1 1 346.406 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cc(F)c[nH]2)C1 ZINC001016670103 766698953 /nfs/dbraw/zinc/69/89/53/766698953.db2.gz IJXJRKSYKYSTOE-XUJLQICISA-N 1 1 346.406 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cnsn2)C1 ZINC001016670984 766700112 /nfs/dbraw/zinc/70/01/12/766700112.db2.gz YBRUDKNCSINAMC-YIZWMMSDSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cnsn2)C1 ZINC001016670984 766700117 /nfs/dbraw/zinc/70/01/17/766700117.db2.gz YBRUDKNCSINAMC-YIZWMMSDSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2nc(C)c[nH]2)C1 ZINC001016670580 766700358 /nfs/dbraw/zinc/70/03/58/766700358.db2.gz QUFSAHZDYYVNDD-NRXISQOPSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2nc(C)c[nH]2)C1 ZINC001016670580 766700364 /nfs/dbraw/zinc/70/03/64/766700364.db2.gz QUFSAHZDYYVNDD-NRXISQOPSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)c3ccnn3C)CC2)C1 ZINC001046031612 766701446 /nfs/dbraw/zinc/70/14/46/766701446.db2.gz RPHZKNCFJXCNHZ-JKSUJKDBSA-N 1 1 329.448 0.375 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2oc(C)nc2C)C1 ZINC000994752643 766703445 /nfs/dbraw/zinc/70/34/45/766703445.db2.gz UGSCCQQXCROZPM-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2oc(C)nc2C)C1 ZINC000994752643 766703449 /nfs/dbraw/zinc/70/34/49/766703449.db2.gz UGSCCQQXCROZPM-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCO[C@H]3C=C)CC2)C1 ZINC001046031743 766703526 /nfs/dbraw/zinc/70/35/26/766703526.db2.gz VEZNSBTWFAWSHV-KSZLIROESA-N 1 1 331.460 0.819 20 30 ECEDMO CCN(c1ccncc1C#N)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089624990 766704123 /nfs/dbraw/zinc/70/41/23/766704123.db2.gz LAFSJXASLBQHTD-CJNGLKHVSA-N 1 1 331.420 0.615 20 30 ECEDMO CCN(c1ccncc1C#N)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089624990 766704135 /nfs/dbraw/zinc/70/41/35/766704135.db2.gz LAFSJXASLBQHTD-CJNGLKHVSA-N 1 1 331.420 0.615 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC001046032480 766706210 /nfs/dbraw/zinc/70/62/10/766706210.db2.gz DLBKPJSDGBTQTK-QGZVFWFLSA-N 1 1 329.448 0.123 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ocnc2CC)C1 ZINC000994754521 766707341 /nfs/dbraw/zinc/70/73/41/766707341.db2.gz MLHYXLNSQILRSR-AWEZNQCLSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ocnc2CC)C1 ZINC000994754521 766707347 /nfs/dbraw/zinc/70/73/47/766707347.db2.gz MLHYXLNSQILRSR-AWEZNQCLSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC000994753320 766709646 /nfs/dbraw/zinc/70/96/46/766709646.db2.gz YPMITVSLOYQEFT-XIRDDKMYSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC000994753320 766709655 /nfs/dbraw/zinc/70/96/55/766709655.db2.gz YPMITVSLOYQEFT-XIRDDKMYSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnoc2CC)C1 ZINC000994753563 766710910 /nfs/dbraw/zinc/71/09/10/766710910.db2.gz IQGCTOKWCCZXTQ-AWEZNQCLSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnoc2CC)C1 ZINC000994753563 766710913 /nfs/dbraw/zinc/71/09/13/766710913.db2.gz IQGCTOKWCCZXTQ-AWEZNQCLSA-N 1 1 330.388 0.275 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC001046033779 766711350 /nfs/dbraw/zinc/71/13/50/766711350.db2.gz KTNHJBHJTHODAA-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(C)nc3OC)CC2)C1 ZINC001046035034 766717717 /nfs/dbraw/zinc/71/77/17/766717717.db2.gz BQMGKCKBEZTXCR-HNNXBMFYSA-N 1 1 343.431 0.259 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 ZINC001046035155 766718262 /nfs/dbraw/zinc/71/82/62/766718262.db2.gz FTICZMXKFPRTCP-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn4c3CCC4)CC2)C1 ZINC001046035096 766718353 /nfs/dbraw/zinc/71/83/53/766718353.db2.gz DKICERAJNNPJHS-HNNXBMFYSA-N 1 1 327.432 0.295 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc4c([nH]3)CCOC4)CC2)C1 ZINC001046035235 766719719 /nfs/dbraw/zinc/71/97/19/766719719.db2.gz HNQNRLHWXNYUTA-MRXNPFEDSA-N 1 1 342.443 0.553 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 ZINC001046035876 766723051 /nfs/dbraw/zinc/72/30/51/766723051.db2.gz VAQGXOMSABLBFD-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)nn2CC)C1 ZINC000994756115 766723528 /nfs/dbraw/zinc/72/35/28/766723528.db2.gz UETUWUSUYVVKNF-HNNXBMFYSA-N 1 1 343.431 0.250 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)nn2CC)C1 ZINC000994756115 766723535 /nfs/dbraw/zinc/72/35/35/766723535.db2.gz UETUWUSUYVVKNF-HNNXBMFYSA-N 1 1 343.431 0.250 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046035987 766723820 /nfs/dbraw/zinc/72/38/20/766723820.db2.gz XURLDOJUHKJHNW-ROUUACIJSA-N 1 1 347.507 0.706 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc(C4CC4)nn3)CC2)C1 ZINC001046035949 766724020 /nfs/dbraw/zinc/72/40/20/766724020.db2.gz XDAFMVZOEDPWBS-INIZCTEOSA-N 1 1 342.447 0.007 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2onc(C)c2C)C1 ZINC000994756773 766730755 /nfs/dbraw/zinc/73/07/55/766730755.db2.gz YRXPLHHHAUAAMA-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2onc(C)c2C)C1 ZINC000994756773 766730762 /nfs/dbraw/zinc/73/07/62/766730762.db2.gz YRXPLHHHAUAAMA-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046037246 766732336 /nfs/dbraw/zinc/73/23/36/766732336.db2.gz NNNRZKJZJKZMMR-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC001046037349 766733867 /nfs/dbraw/zinc/73/38/67/766733867.db2.gz XHNQPLOXGFTQBQ-OAHLLOKOSA-N 1 1 345.447 0.684 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3COC)CC2)C1 ZINC001046038460 766738409 /nfs/dbraw/zinc/73/84/09/766738409.db2.gz MIXQUVGIOQGLID-OAHLLOKOSA-N 1 1 347.463 0.585 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC001046038667 766739404 /nfs/dbraw/zinc/73/94/04/766739404.db2.gz HOMOWPLQQHYNKP-CQSZACIVSA-N 1 1 331.420 0.590 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046039061 766740828 /nfs/dbraw/zinc/74/08/28/766740828.db2.gz NDONXSNDRXZJLS-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)S(C)(=O)=O)CC2)C1 ZINC001046039405 766742575 /nfs/dbraw/zinc/74/25/75/766742575.db2.gz XUFQEGGEVBASBS-GJZGRUSLSA-N 1 1 343.493 0.214 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)C1 ZINC001046039404 766742650 /nfs/dbraw/zinc/74/26/50/766742650.db2.gz XUFQEGGEVBASBS-CABCVRRESA-N 1 1 343.493 0.214 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3COCCN3CC)CC2)C1 ZINC001046041913 766753863 /nfs/dbraw/zinc/75/38/63/766753863.db2.gz UWHKJSHPLCLEQP-IAGOWNOFSA-N 1 1 336.480 0.112 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC3(C[C@@H]3NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001016704651 766760975 /nfs/dbraw/zinc/76/09/75/766760975.db2.gz NMTVGGDDQCZRSS-KGLIPLIRSA-N 1 1 344.419 0.176 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC001046043501 766762240 /nfs/dbraw/zinc/76/22/40/766762240.db2.gz AAAFNLDIOFEJLT-QGZVFWFLSA-N 1 1 343.475 0.513 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC001046044070 766764752 /nfs/dbraw/zinc/76/47/52/766764752.db2.gz OGVUGAKDNGZHMN-MRXNPFEDSA-N 1 1 328.416 0.181 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3nc(C)cc3C)CC2)C1 ZINC001046044762 766769288 /nfs/dbraw/zinc/76/92/88/766769288.db2.gz QVQUCYZDDTXYTO-KRWDZBQOSA-N 1 1 331.464 0.904 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3nccn3C)CC2)C1 ZINC001046046804 766776358 /nfs/dbraw/zinc/77/63/58/766776358.db2.gz DOXAPGUFXPBCDX-MRXNPFEDSA-N 1 1 331.464 0.757 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC001046047631 766779340 /nfs/dbraw/zinc/77/93/40/766779340.db2.gz VHYACHNBURQKGG-OAHLLOKOSA-N 1 1 344.415 0.234 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)C1 ZINC001046049895 766784402 /nfs/dbraw/zinc/78/44/02/766784402.db2.gz ZLPIRXPQKCQGMG-KRWDZBQOSA-N 1 1 345.491 0.984 20 30 ECEDMO CC[C@H](C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C#N)c[nH]1)CO2)OC ZINC001053766441 766785306 /nfs/dbraw/zinc/78/53/06/766785306.db2.gz NJHZXYAAPRDVRL-UONOGXRCSA-N 1 1 332.404 0.884 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046050138 766785439 /nfs/dbraw/zinc/78/54/39/766785439.db2.gz FTJAPSZZFXRKPI-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046049977 766786240 /nfs/dbraw/zinc/78/62/40/766786240.db2.gz BJNXIGBXVUKLRC-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001046053489 766797961 /nfs/dbraw/zinc/79/79/61/766797961.db2.gz CCHITWTYLJSZNY-AWEZNQCLSA-N 1 1 333.440 0.008 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046055065 766803975 /nfs/dbraw/zinc/80/39/75/766803975.db2.gz FEOGJAWQQGLQFF-VQIMIIECSA-N 1 1 348.491 0.697 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056861 766813685 /nfs/dbraw/zinc/81/36/85/766813685.db2.gz VKDBJPJTBFTZGO-QZTJIDSGSA-N 1 1 347.507 0.850 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(F)CCOC3)CC2)C1 ZINC001046057340 766816118 /nfs/dbraw/zinc/81/61/18/766816118.db2.gz YOMOKFPUXDZKGT-NVXWUHKLSA-N 1 1 325.428 0.910 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccoc3CC(N)=O)CC2)C1 ZINC001046058474 766819541 /nfs/dbraw/zinc/81/95/41/766819541.db2.gz KYSMVZLCFYJTLA-CQSZACIVSA-N 1 1 346.431 0.326 20 30 ECEDMO N#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741322 766827882 /nfs/dbraw/zinc/82/78/82/766827882.db2.gz VLHFYIFAEWBVEK-QRHJNKNDSA-N 1 1 330.432 0.344 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccc(C)n3)CC2)C1 ZINC001046062642 766835636 /nfs/dbraw/zinc/83/56/36/766835636.db2.gz HWAPCLSOVRRGKR-QGZVFWFLSA-N 1 1 331.464 0.986 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3[nH]c(C)nc3C)CC2)C1 ZINC001046063082 766837073 /nfs/dbraw/zinc/83/70/73/766837073.db2.gz LNIDWYYNPXPBDN-MRXNPFEDSA-N 1 1 329.448 0.882 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3Cc4ccncc4C3)CC2)C1 ZINC001046064708 766846613 /nfs/dbraw/zinc/84/66/13/766846613.db2.gz RYJYADCRJBMEOE-PKOBYXMFSA-N 1 1 338.455 0.648 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)cc3OC)CC2)C1 ZINC001046065037 766849471 /nfs/dbraw/zinc/84/94/71/766849471.db2.gz ZPNWVZRCJQLZHB-CQSZACIVSA-N 1 1 344.415 0.261 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001046065743 766850702 /nfs/dbraw/zinc/85/07/02/766850702.db2.gz DDUSPOJMROYTLO-OAHLLOKOSA-N 1 1 337.855 0.923 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001046065743 766850714 /nfs/dbraw/zinc/85/07/14/766850714.db2.gz DDUSPOJMROYTLO-OAHLLOKOSA-N 1 1 337.855 0.923 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@@H]3CC[N@H+](C(C)C)C3)CC2)nn1 ZINC001046068608 766862923 /nfs/dbraw/zinc/86/29/23/766862923.db2.gz OZZTURSLDCKORX-OAHLLOKOSA-N 1 1 332.452 0.705 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c(C)n[nH]c3C)CC2)C1 ZINC001046070803 766876291 /nfs/dbraw/zinc/87/62/91/766876291.db2.gz CBNQORWOMADZJO-INIZCTEOSA-N 1 1 329.448 0.882 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001046073896 766888297 /nfs/dbraw/zinc/88/82/97/766888297.db2.gz NVZKIGNZGVAMJI-CQSZACIVSA-N 1 1 337.855 0.923 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001046073896 766888307 /nfs/dbraw/zinc/88/83/07/766888307.db2.gz NVZKIGNZGVAMJI-CQSZACIVSA-N 1 1 337.855 0.923 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC001046076212 766902066 /nfs/dbraw/zinc/90/20/66/766902066.db2.gz KOUOYEWLAGCMIJ-INIZCTEOSA-N 1 1 329.448 0.204 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC001046076224 766902989 /nfs/dbraw/zinc/90/29/89/766902989.db2.gz KSXCXTOVYZUHDP-MRXNPFEDSA-N 1 1 329.448 0.204 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3conc3COC)CC2)C1 ZINC001046076517 766904142 /nfs/dbraw/zinc/90/41/42/766904142.db2.gz GPYKUAWDZJBJGZ-AWEZNQCLSA-N 1 1 334.420 0.839 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCCN3C(N)=O)CC2)C1 ZINC001046077407 766907633 /nfs/dbraw/zinc/90/76/33/766907633.db2.gz ORKBOXSBDAHBKT-CVEARBPZSA-N 1 1 349.479 0.324 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnn(CC)c3)CC2)C1 ZINC001046077368 766908059 /nfs/dbraw/zinc/90/80/59/766908059.db2.gz NJEXPKSDUOLBST-QGZVFWFLSA-N 1 1 331.464 0.850 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccn3nnnc13)CO2 ZINC001053813994 766910191 /nfs/dbraw/zinc/91/01/91/766910191.db2.gz FMRCUIHINVRZTE-GFCCVEGCSA-N 1 1 328.376 0.274 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC001046079736 766914387 /nfs/dbraw/zinc/91/43/87/766914387.db2.gz AKINAWLPQIDVBO-CQSZACIVSA-N 1 1 328.420 0.681 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC001046079735 766914486 /nfs/dbraw/zinc/91/44/86/766914486.db2.gz AKINAWLPQIDVBO-AWEZNQCLSA-N 1 1 328.420 0.681 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)C1 ZINC001046084569 766925237 /nfs/dbraw/zinc/92/52/37/766925237.db2.gz DGCNKBWIGDTOMC-ZWKOTPCHSA-N 1 1 343.475 0.913 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC001046089289 766931056 /nfs/dbraw/zinc/93/10/56/766931056.db2.gz BCFPAYWYIDDPCL-QGZVFWFLSA-N 1 1 346.479 0.542 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC001046090396 766932451 /nfs/dbraw/zinc/93/24/51/766932451.db2.gz VIEFZAAUMIMJLS-INIZCTEOSA-N 1 1 344.463 0.462 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001016808136 766963910 /nfs/dbraw/zinc/96/39/10/766963910.db2.gz JCVYDORRCBFNQR-OFLPRAFFSA-N 1 1 340.427 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnn(C)c3)C2)C1=O ZINC001046135731 766969172 /nfs/dbraw/zinc/96/91/72/766969172.db2.gz VWMMHBOXOFIPJV-WMLDXEAASA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnn(C)c3)C2)C1=O ZINC001046135731 766969179 /nfs/dbraw/zinc/96/91/79/766969179.db2.gz VWMMHBOXOFIPJV-WMLDXEAASA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnn1CCOC)CO2 ZINC001053839225 766985354 /nfs/dbraw/zinc/98/53/54/766985354.db2.gz ZGWJRNUYZADLOC-CQSZACIVSA-N 1 1 334.420 0.679 20 30 ECEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)NC(N)=O)[C@H](OC)C1 ZINC001212272499 767008237 /nfs/dbraw/zinc/00/82/37/767008237.db2.gz SHZBMWIXUCYILC-RRFJBIMHSA-N 1 1 340.468 0.995 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)CO2 ZINC001053864573 767067207 /nfs/dbraw/zinc/06/72/07/767067207.db2.gz DQQYOJKIRPNFSX-ZIAGYGMSSA-N 1 1 342.461 0.347 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3nccn3c1)CO2 ZINC001053870878 767087916 /nfs/dbraw/zinc/08/79/16/767087916.db2.gz RZOZGQMKZLKYJZ-AWEZNQCLSA-N 1 1 327.388 0.879 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046248238 767107276 /nfs/dbraw/zinc/10/72/76/767107276.db2.gz NESOAUUJLIZBCB-PIGZYNQJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046248238 767107280 /nfs/dbraw/zinc/10/72/80/767107280.db2.gz NESOAUUJLIZBCB-PIGZYNQJSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC001089711925 767110076 /nfs/dbraw/zinc/11/00/76/767110076.db2.gz GMPRZYGSCXVFMR-ZDUSSCGKSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC001089711925 767110078 /nfs/dbraw/zinc/11/00/78/767110078.db2.gz GMPRZYGSCXVFMR-ZDUSSCGKSA-N 1 1 326.404 0.978 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)cc1=O ZINC001046251918 767110555 /nfs/dbraw/zinc/11/05/55/767110555.db2.gz XGRHQWUYAVBOJD-SFHVURJKSA-N 1 1 339.399 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cncnc3)C2)C1=O ZINC001046260546 767115592 /nfs/dbraw/zinc/11/55/92/767115592.db2.gz MDCXCBZDWBQGGX-PBHICJAKSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cncnc3)C2)C1=O ZINC001046260546 767115597 /nfs/dbraw/zinc/11/55/97/767115597.db2.gz MDCXCBZDWBQGGX-PBHICJAKSA-N 1 1 329.404 0.458 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001089729064 767133203 /nfs/dbraw/zinc/13/32/03/767133203.db2.gz HFCPSEGJIIKTOE-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046320854 767146050 /nfs/dbraw/zinc/14/60/50/767146050.db2.gz LDNGMWBJMTYOGX-GUYCJALGSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046320977 767146221 /nfs/dbraw/zinc/14/62/21/767146221.db2.gz MPRNDNJPXNHQBN-DYVFJYSZSA-N 1 1 329.404 0.367 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(=O)[nH]n1 ZINC001089765339 767148016 /nfs/dbraw/zinc/14/80/16/767148016.db2.gz DADCNYSMVJZPAU-NHIYQJMISA-N 1 1 326.400 0.988 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCC1=O ZINC001089769482 767151368 /nfs/dbraw/zinc/15/13/68/767151368.db2.gz MUNRLVYESSJUFO-YVSFHVDLSA-N 1 1 329.444 0.801 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046329161 767152123 /nfs/dbraw/zinc/15/21/23/767152123.db2.gz IYNCFWMZDSULQC-UHOFOFEASA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046329161 767152125 /nfs/dbraw/zinc/15/21/25/767152125.db2.gz IYNCFWMZDSULQC-UHOFOFEASA-N 1 1 329.404 0.591 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccncc2)[C@H](OC)C1 ZINC001212311195 767199117 /nfs/dbraw/zinc/19/91/17/767199117.db2.gz IQBGCXJJQDFKII-HUUCEWRRSA-N 1 1 332.404 0.203 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)[C@H](OC)C1 ZINC001212318845 767206540 /nfs/dbraw/zinc/20/65/40/767206540.db2.gz NMLLDJPLAWIWSO-FVQBIDKESA-N 1 1 335.448 0.520 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001046418959 767207604 /nfs/dbraw/zinc/20/76/04/767207604.db2.gz SYAKYMFBGYHRMK-HNNXBMFYSA-N 1 1 326.462 0.968 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001046418959 767207605 /nfs/dbraw/zinc/20/76/05/767207605.db2.gz SYAKYMFBGYHRMK-HNNXBMFYSA-N 1 1 326.462 0.968 20 30 ECEDMO Cn1ncnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C#CC2CC2)C1 ZINC001089805673 767233728 /nfs/dbraw/zinc/23/37/28/767233728.db2.gz KYGUQPIIXXUMPC-QAETUUGQSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1ncnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C#CC2CC2)C1 ZINC001089805673 767233729 /nfs/dbraw/zinc/23/37/29/767233729.db2.gz KYGUQPIIXXUMPC-QAETUUGQSA-N 1 1 339.443 0.897 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001046450941 767234501 /nfs/dbraw/zinc/23/45/01/767234501.db2.gz FXIQDLGIGFUDSD-KRWDZBQOSA-N 1 1 328.372 0.630 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CS(=O)(=O)C2)C1 ZINC001089807425 767235800 /nfs/dbraw/zinc/23/58/00/767235800.db2.gz ZKHCWELOAUFSTJ-TUUVXOQKSA-N 1 1 336.457 0.223 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cnc3sccn3c2=O)C1 ZINC001046459792 767239872 /nfs/dbraw/zinc/23/98/72/767239872.db2.gz GFPTWIBXIMUTID-INIZCTEOSA-N 1 1 330.413 0.974 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001212337584 767253672 /nfs/dbraw/zinc/25/36/72/767253672.db2.gz VPIHKBWTZDZCEH-CHWSQXEVSA-N 1 1 334.844 0.589 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001046511249 767269912 /nfs/dbraw/zinc/26/99/12/767269912.db2.gz INACBIHSWUJNLI-INIZCTEOSA-N 1 1 325.376 0.275 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908051 767327630 /nfs/dbraw/zinc/32/76/30/767327630.db2.gz JMJYIMATBFTATH-HZPDHXFCSA-N 1 1 342.443 0.737 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046585619 767335169 /nfs/dbraw/zinc/33/51/69/767335169.db2.gz HJVNGTWLUWIHNN-PBHICJAKSA-N 1 1 327.388 0.320 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046588844 767340271 /nfs/dbraw/zinc/34/02/71/767340271.db2.gz RUPVLGSBSGRUAW-YOEHRIQHSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046588844 767340280 /nfs/dbraw/zinc/34/02/80/767340280.db2.gz RUPVLGSBSGRUAW-YOEHRIQHSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ncn(C)c2=O)C1 ZINC001089826799 767341246 /nfs/dbraw/zinc/34/12/46/767341246.db2.gz LDQKOIGXJRIVHM-VGWMRTNUSA-N 1 1 345.447 0.327 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001046604297 767357437 /nfs/dbraw/zinc/35/74/37/767357437.db2.gz IKVKTQXEPWQHSP-MAUKXSAKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001046604297 767357448 /nfs/dbraw/zinc/35/74/48/767357448.db2.gz IKVKTQXEPWQHSP-MAUKXSAKSA-N 1 1 326.400 0.536 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(=O)n1C)CO2 ZINC001053921991 767365677 /nfs/dbraw/zinc/36/56/77/767365677.db2.gz SNHFMEUKHAGANB-AWEZNQCLSA-N 1 1 331.416 0.925 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1COC3(CN(CC#N)C3)C1)C2 ZINC001053923936 767369871 /nfs/dbraw/zinc/36/98/71/767369871.db2.gz GOXATTQFQRTRIJ-ZIAGYGMSSA-N 1 1 329.404 0.237 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106147461 767370801 /nfs/dbraw/zinc/37/08/01/767370801.db2.gz PATHVSFWINOZIJ-GJZGRUSLSA-N 1 1 331.420 0.717 20 30 ECEDMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078290859 782624600 /nfs/dbraw/zinc/62/46/00/782624600.db2.gz WMVPHFLQUUVALK-HUUCEWRRSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078290859 782624608 /nfs/dbraw/zinc/62/46/08/782624608.db2.gz WMVPHFLQUUVALK-HUUCEWRRSA-N 1 1 325.372 0.565 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cncc(Cl)n1 ZINC001106154681 767389125 /nfs/dbraw/zinc/38/91/25/767389125.db2.gz MRDRBJCDDOGHAC-RYUDHWBXSA-N 1 1 337.811 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cncc(Cl)n1 ZINC001106154681 767389133 /nfs/dbraw/zinc/38/91/33/767389133.db2.gz MRDRBJCDDOGHAC-RYUDHWBXSA-N 1 1 337.811 0.117 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(C2CC2)n1 ZINC001106154444 767406039 /nfs/dbraw/zinc/40/60/39/767406039.db2.gz IFUAABMHEAGBKN-GJZGRUSLSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(C2CC2)n1 ZINC001106154444 767406044 /nfs/dbraw/zinc/40/60/44/767406044.db2.gz IFUAABMHEAGBKN-GJZGRUSLSA-N 1 1 343.431 0.341 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccnnc3)C2)C1=O ZINC001046655084 767422573 /nfs/dbraw/zinc/42/25/73/767422573.db2.gz LGXUDNYDMRUPAN-PBHICJAKSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccnnc3)C2)C1=O ZINC001046655084 767422576 /nfs/dbraw/zinc/42/25/76/767422576.db2.gz LGXUDNYDMRUPAN-PBHICJAKSA-N 1 1 329.404 0.458 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ncc(OC)cn1 ZINC001089836982 767432589 /nfs/dbraw/zinc/43/25/89/767432589.db2.gz WUOWZFVYBLJAMP-HNKHHVNMSA-N 1 1 326.400 0.901 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(OC)n(C)n1 ZINC001089837095 767433828 /nfs/dbraw/zinc/43/38/28/767433828.db2.gz YJJHNMPMQWZWOA-FQLMCAECSA-N 1 1 328.416 0.844 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3nncn3c1)CO2 ZINC001053955328 767444396 /nfs/dbraw/zinc/44/43/96/767444396.db2.gz IFLNBMCVSORGTK-CQSZACIVSA-N 1 1 327.388 0.879 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3n[nH]c(=O)n3c1)CO2 ZINC001053956092 767445521 /nfs/dbraw/zinc/44/55/21/767445521.db2.gz ZFFXLZWXKHVGSG-CYBMUJFWSA-N 1 1 343.387 0.584 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001016998549 767452078 /nfs/dbraw/zinc/45/20/78/767452078.db2.gz NIFLDPWFVLZABE-ODIFPOPNSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046690189 767487211 /nfs/dbraw/zinc/48/72/11/767487211.db2.gz BDLAQIPPNJMKFN-HOTGVXAUSA-N 1 1 349.475 0.457 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001046692773 767495225 /nfs/dbraw/zinc/49/52/25/767495225.db2.gz ZEZRHRJQKCIZGU-KGLIPLIRSA-N 1 1 335.448 0.230 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCN(C(=O)CC)C1)CO2 ZINC001053975095 767504412 /nfs/dbraw/zinc/50/44/12/767504412.db2.gz CJHJRPVASCMJCT-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(C)CCN(C(C)=O)C1)CO2 ZINC001053977240 767511288 /nfs/dbraw/zinc/51/12/88/767511288.db2.gz PSEJNXWKEKTYHN-WBVHZDCISA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC(=O)N1C)CO2 ZINC001053997727 767558378 /nfs/dbraw/zinc/55/83/78/767558378.db2.gz VPXAEZZWNZGWCO-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001046735603 767560025 /nfs/dbraw/zinc/56/00/25/767560025.db2.gz QTILAXBZJYFABC-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001046735603 767560030 /nfs/dbraw/zinc/56/00/30/767560030.db2.gz QTILAXBZJYFABC-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccnnc2)C1 ZINC001017100020 767582861 /nfs/dbraw/zinc/58/28/61/767582861.db2.gz PCNHKFYFUDEISB-GPANFISMSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccnnc2)C1 ZINC001017100020 767582865 /nfs/dbraw/zinc/58/28/65/767582865.db2.gz PCNHKFYFUDEISB-GPANFISMSA-N 1 1 341.415 0.293 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)c(=O)n1C)CO2 ZINC001054019535 767612798 /nfs/dbraw/zinc/61/27/98/767612798.db2.gz XOXSUEJTPNXLBT-CYBMUJFWSA-N 1 1 334.420 0.263 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001054036078 767635011 /nfs/dbraw/zinc/63/50/11/767635011.db2.gz BETALKLDJSOWLZ-MOPGFXCFSA-N 1 1 341.455 0.883 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001054036079 767635117 /nfs/dbraw/zinc/63/51/17/767635117.db2.gz BETALKLDJSOWLZ-OALUTQOASA-N 1 1 341.455 0.883 20 30 ECEDMO C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001054050592 767649686 /nfs/dbraw/zinc/64/96/86/767649686.db2.gz GWTZXLNPQFAPLA-JKSUJKDBSA-N 1 1 328.416 0.787 20 30 ECEDMO C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001054050589 767650016 /nfs/dbraw/zinc/65/00/16/767650016.db2.gz GWTZXLNPQFAPLA-CVEARBPZSA-N 1 1 328.416 0.787 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001054050666 767650087 /nfs/dbraw/zinc/65/00/87/767650087.db2.gz IVWDWSLIWVEBJP-JKSUJKDBSA-N 1 1 326.400 0.234 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001054050666 767650092 /nfs/dbraw/zinc/65/00/92/767650092.db2.gz IVWDWSLIWVEBJP-JKSUJKDBSA-N 1 1 326.400 0.234 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001054052936 767652102 /nfs/dbraw/zinc/65/21/02/767652102.db2.gz JTQSKZLCNYGTIF-BBWFWOEESA-N 1 1 325.412 0.674 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC001060476339 767686731 /nfs/dbraw/zinc/68/67/31/767686731.db2.gz DFMVMTSUWCXIOE-AFHWFKKNSA-N 1 1 325.416 0.702 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)c1 ZINC001054111928 767702045 /nfs/dbraw/zinc/70/20/45/767702045.db2.gz FECDYXFDERUTDR-CRAIPNDOSA-N 1 1 341.415 0.703 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001054118291 767705882 /nfs/dbraw/zinc/70/58/82/767705882.db2.gz FHPMDRGXIHZEEH-SJKOYZFVSA-N 1 1 329.404 0.688 20 30 ECEDMO O=C(C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C#CC1CC1)C2)NC1CC1 ZINC001054130778 767726704 /nfs/dbraw/zinc/72/67/04/767726704.db2.gz YPVMTAYJLLCMFB-IBGZPJMESA-N 1 1 329.444 0.993 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCCNC1=O)C2 ZINC001054157761 767753682 /nfs/dbraw/zinc/75/36/82/767753682.db2.gz YLJDXQQJAQGUSD-GOSISDBHSA-N 1 1 332.448 0.740 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C(N)=O)cn1C)C2 ZINC001054160379 767757459 /nfs/dbraw/zinc/75/74/59/767757459.db2.gz CULMOCQIHNPPJO-SFHVURJKSA-N 1 1 328.416 0.685 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001054197032 767794305 /nfs/dbraw/zinc/79/43/05/767794305.db2.gz RQBQOCRAFSQGCR-DAYGRLMNSA-N 1 1 333.432 0.357 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)CC1 ZINC000992927797 767800099 /nfs/dbraw/zinc/80/00/99/767800099.db2.gz VSTTZSATAYAHIT-BBWFWOEESA-N 1 1 346.475 0.034 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@H]2CCCO2)CC1 ZINC001017277597 767804246 /nfs/dbraw/zinc/80/42/46/767804246.db2.gz QNNZWSVZBNKOFT-DLBZAZTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@H]2CCCO2)CC1 ZINC001017277597 767804253 /nfs/dbraw/zinc/80/42/53/767804253.db2.gz QNNZWSVZBNKOFT-DLBZAZTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@H]3C2)CC1 ZINC000992931628 767804571 /nfs/dbraw/zinc/80/45/71/767804571.db2.gz UJXSGGVZJOLOCM-OKZBNKHCSA-N 1 1 333.476 0.541 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn([C@@H]3CCOC3)nn1)C2 ZINC001054224307 767828865 /nfs/dbraw/zinc/82/88/65/767828865.db2.gz BKAFSZLCFLYROG-CRAIPNDOSA-N 1 1 343.431 0.801 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001054225447 767832130 /nfs/dbraw/zinc/83/21/30/767832130.db2.gz XNFJBWAYVIZZNQ-GOSISDBHSA-N 1 1 346.431 0.266 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001054228423 767837009 /nfs/dbraw/zinc/83/70/09/767837009.db2.gz ZKDFOWAVQQBWFA-SFHVURJKSA-N 1 1 348.447 0.771 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+](CC(=O)NC)C3)C2)nc1 ZINC001054229123 767838059 /nfs/dbraw/zinc/83/80/59/767838059.db2.gz KSVAEYHUMFROPS-LJQANCHMSA-N 1 1 340.427 0.737 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)cn1 ZINC001054230313 767838979 /nfs/dbraw/zinc/83/89/79/767838979.db2.gz RBSUDCWYPRLRLS-LIRRHRJNSA-N 1 1 340.427 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)cn1 ZINC001054229896 767839553 /nfs/dbraw/zinc/83/95/53/767839553.db2.gz HLRGKZJYZQMDQD-SFHVURJKSA-N 1 1 326.400 0.476 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001054234568 767843489 /nfs/dbraw/zinc/84/34/89/767843489.db2.gz GDKQKEMISWGVLW-PKOBYXMFSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001054234875 767843668 /nfs/dbraw/zinc/84/36/68/767843668.db2.gz LMQNCUIWGIPJBK-KRWDZBQOSA-N 1 1 333.436 0.391 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001054237121 767847846 /nfs/dbraw/zinc/84/78/46/767847846.db2.gz VEWHVILUNCCAFU-KRWDZBQOSA-N 1 1 334.420 0.429 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(C)CCOCCNc1nccnc1C#N ZINC001127348126 768384554 /nfs/dbraw/zinc/38/45/54/768384554.db2.gz XGVKFYKIUGUFII-UHFFFAOYSA-N 1 1 348.451 0.967 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)OCC)C[C@@H]2C1 ZINC001055191204 768650844 /nfs/dbraw/zinc/65/08/44/768650844.db2.gz JOCNVHFPRGIFFG-NXOAAHMSSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)OCC)C[C@@H]2C1 ZINC001055191204 768650849 /nfs/dbraw/zinc/65/08/49/768650849.db2.gz JOCNVHFPRGIFFG-NXOAAHMSSA-N 1 1 347.459 0.426 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001055223318 768681687 /nfs/dbraw/zinc/68/16/87/768681687.db2.gz XUZGAWXPGMFWAU-NXOAAHMSSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCC(N)=O)C2)nn1 ZINC001098789840 768723757 /nfs/dbraw/zinc/72/37/57/768723757.db2.gz JYSSRNUSXAVIKY-AWEZNQCLSA-N 1 1 334.424 0.373 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268579 768725343 /nfs/dbraw/zinc/72/53/43/768725343.db2.gz LWWXOIOFWOJYSL-NXOAAHMSSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268579 768725347 /nfs/dbraw/zinc/72/53/47/768725347.db2.gz LWWXOIOFWOJYSL-NXOAAHMSSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(=O)C3CCC3)C2)nn1 ZINC001098789997 768727990 /nfs/dbraw/zinc/72/79/90/768727990.db2.gz MIDAHTFJJDXCED-OAHLLOKOSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001055305573 768763002 /nfs/dbraw/zinc/76/30/02/768763002.db2.gz OGULBFALGSDGSZ-YYAJDYIMSA-N 1 1 349.475 0.715 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001055313309 768768699 /nfs/dbraw/zinc/76/86/99/768768699.db2.gz KYFAXNFICHXXNF-RVKKMQEKSA-N 1 1 346.431 0.435 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC(=O)NC1=O ZINC001018149207 768802340 /nfs/dbraw/zinc/80/23/40/768802340.db2.gz IHOZITFHRQRZJZ-OKILXGFUSA-N 1 1 334.420 0.570 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C2CCOCC2)nn1 ZINC001018156288 768811024 /nfs/dbraw/zinc/81/10/24/768811024.db2.gz KEDOBPVWPBPMBN-IYBDPMFKSA-N 1 1 343.431 0.942 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C2CCOCC2)nn1 ZINC001018156288 768811031 /nfs/dbraw/zinc/81/10/31/768811031.db2.gz KEDOBPVWPBPMBN-IYBDPMFKSA-N 1 1 343.431 0.942 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993346820 768833379 /nfs/dbraw/zinc/83/33/79/768833379.db2.gz HMLZPMAVSLBCCN-FZMZJTMJSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993346820 768833394 /nfs/dbraw/zinc/83/33/94/768833394.db2.gz HMLZPMAVSLBCCN-FZMZJTMJSA-N 1 1 345.432 0.776 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C1 ZINC001055378606 768834747 /nfs/dbraw/zinc/83/47/47/768834747.db2.gz XOSNRIHUXFJEHX-IYBDPMFKSA-N 1 1 337.464 0.838 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H]1C ZINC000993356433 768857117 /nfs/dbraw/zinc/85/71/17/768857117.db2.gz WVOWRGQMRJMTFE-UONOGXRCSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]21 ZINC001042063479 782701740 /nfs/dbraw/zinc/70/17/40/782701740.db2.gz XMVONEZHHWKZJG-ZIAGYGMSSA-N 1 1 331.416 0.328 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]21 ZINC001042063478 782702396 /nfs/dbraw/zinc/70/23/96/782702396.db2.gz XMVONEZHHWKZJG-UONOGXRCSA-N 1 1 331.416 0.328 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099264611 768883884 /nfs/dbraw/zinc/88/38/84/768883884.db2.gz NRZARCOVASQTCY-GHMZBOCLSA-N 1 1 344.337 0.752 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993388497 768940686 /nfs/dbraw/zinc/94/06/86/768940686.db2.gz CPGLYQCSTPXMTD-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cnnn2)cc1 ZINC001018246993 768957474 /nfs/dbraw/zinc/95/74/74/768957474.db2.gz RQZZRXMPVWJJJB-CALCHBBNSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@@H]1C ZINC000993425643 769047778 /nfs/dbraw/zinc/04/77/78/769047778.db2.gz DEBDFJPQNYXJKG-AAEUAGOBSA-N 1 1 327.388 0.890 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001042078650 782723532 /nfs/dbraw/zinc/72/35/32/782723532.db2.gz XQOXVCLSPVMCOV-KBPBESRZSA-N 1 1 330.436 0.527 20 30 ECEDMO C[NH+](C)CCCC(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055574899 769159782 /nfs/dbraw/zinc/15/97/82/769159782.db2.gz CQPOGDNNDBSUFJ-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO CCC[N@H+](C)CC(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055575274 769161169 /nfs/dbraw/zinc/16/11/69/769161169.db2.gz PWGHOHDEMIMVBR-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055575274 769161173 /nfs/dbraw/zinc/16/11/73/769161173.db2.gz PWGHOHDEMIMVBR-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](CC)OC)C2)CC1 ZINC001018357018 769179204 /nfs/dbraw/zinc/17/92/04/769179204.db2.gz ZTZNSGSGCKAPLR-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C ZINC000993503084 769184291 /nfs/dbraw/zinc/18/42/91/769184291.db2.gz AWXCADSFMLDRHP-CVEARBPZSA-N 1 1 336.480 0.696 20 30 ECEDMO COCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001018364323 769205575 /nfs/dbraw/zinc/20/55/75/769205575.db2.gz RZUCYRTUQBKKKK-CABCVRRESA-N 1 1 336.436 0.175 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001018364905 769208051 /nfs/dbraw/zinc/20/80/51/769208051.db2.gz XQLUUQUMHXNOOF-HOTGVXAUSA-N 1 1 330.432 0.552 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001018367499 769216710 /nfs/dbraw/zinc/21/67/10/769216710.db2.gz RFAHDWJQUHSSOZ-HNNXBMFYSA-N 1 1 343.431 0.903 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042084027 782732555 /nfs/dbraw/zinc/73/25/55/782732555.db2.gz LLILBCLWANCYJJ-VNHYZAJKSA-N 1 1 328.420 0.631 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2csnn2)CC1 ZINC001055602306 769235588 /nfs/dbraw/zinc/23/55/88/769235588.db2.gz XOYFVMYBZLPEIR-UHFFFAOYSA-N 1 1 349.460 0.508 20 30 ECEDMO C=C(C)CCC(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622731 769281897 /nfs/dbraw/zinc/28/18/97/769281897.db2.gz XDWSEAWFPGYQIY-UHFFFAOYSA-N 1 1 335.408 0.736 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2n[nH]cc2F)CC1 ZINC001055638453 769323484 /nfs/dbraw/zinc/32/34/84/769323484.db2.gz UCQHCGXZPHOBTA-UHFFFAOYSA-N 1 1 349.410 0.663 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H]1C ZINC000993564817 769324236 /nfs/dbraw/zinc/32/42/36/769324236.db2.gz HCOASJNJKMTJIE-UONOGXRCSA-N 1 1 334.420 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2ccnnc2)CC1 ZINC001055653246 769346951 /nfs/dbraw/zinc/34/69/51/769346951.db2.gz FRCJVBQMVTYRCH-UHFFFAOYSA-N 1 1 345.447 0.999 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)C2CCC2)C1 ZINC001055691717 769426202 /nfs/dbraw/zinc/42/62/02/769426202.db2.gz OQMBPTRUENGDPH-QFBILLFUSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)C2CCC2)C1 ZINC001055691717 769426208 /nfs/dbraw/zinc/42/62/08/769426208.db2.gz OQMBPTRUENGDPH-QFBILLFUSA-N 1 1 347.459 0.354 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000993740250 769544241 /nfs/dbraw/zinc/54/42/41/769544241.db2.gz FILNESSIQQQICA-DOMZBBRYSA-N 1 1 330.388 0.543 20 30 ECEDMO Cc1ccc(C#N)c(N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001055751353 769597727 /nfs/dbraw/zinc/59/77/27/769597727.db2.gz XBSYWRQEPDRBTL-HNNXBMFYSA-N 1 1 329.404 0.241 20 30 ECEDMO Cc1ccc(C#N)c(N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001055751353 769597737 /nfs/dbraw/zinc/59/77/37/769597737.db2.gz XBSYWRQEPDRBTL-HNNXBMFYSA-N 1 1 329.404 0.241 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)[C@@H]2C)c1 ZINC000993774776 769599522 /nfs/dbraw/zinc/59/95/22/769599522.db2.gz UFGWOLJZUZZZHS-PBHICJAKSA-N 1 1 338.415 0.937 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001078357737 782766189 /nfs/dbraw/zinc/76/61/89/782766189.db2.gz AXIWLKXIZPOZHG-OCCSQVGLSA-N 1 1 346.435 0.559 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H]1C ZINC000993861391 769709616 /nfs/dbraw/zinc/70/96/16/769709616.db2.gz XIGKYDDRLFXTAM-ZIAGYGMSSA-N 1 1 330.432 0.957 20 30 ECEDMO CN1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001018663520 769732590 /nfs/dbraw/zinc/73/25/90/769732590.db2.gz FHPCIIBFFFJDLP-IRXDYDNUSA-N 1 1 346.406 0.718 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001055825131 769863845 /nfs/dbraw/zinc/86/38/45/769863845.db2.gz AAVGJOSPQZJEAA-GOSISDBHSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1C ZINC000993913925 769871937 /nfs/dbraw/zinc/87/19/37/769871937.db2.gz FMYFTTUAXOKQBY-OLZOCXBDSA-N 1 1 330.392 0.046 20 30 ECEDMO C#CCC[N@H+]1CCC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H]1C ZINC000993921352 769884704 /nfs/dbraw/zinc/88/47/04/769884704.db2.gz XBMVBFGSUMPKBL-HIFRSBDPSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H]1C ZINC000993921352 769884716 /nfs/dbraw/zinc/88/47/16/769884716.db2.gz XBMVBFGSUMPKBL-HIFRSBDPSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccc[nH]3)C2)C1 ZINC001018777357 769919323 /nfs/dbraw/zinc/91/93/23/769919323.db2.gz XTQKCLKLSNZPOO-INIZCTEOSA-N 1 1 340.427 0.787 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccc[nH]3)C2)C1 ZINC001018777357 769919336 /nfs/dbraw/zinc/91/93/36/769919336.db2.gz XTQKCLKLSNZPOO-INIZCTEOSA-N 1 1 340.427 0.787 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)cn1 ZINC000993949419 769931136 /nfs/dbraw/zinc/93/11/36/769931136.db2.gz BCLONNUUTZYYTK-MRXNPFEDSA-N 1 1 349.394 0.778 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)[C@@H]2C)nn1 ZINC000993980744 769956761 /nfs/dbraw/zinc/95/67/61/769956761.db2.gz BTNQRTPTYPERFA-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)[C@@H]2C)nn1 ZINC000993980744 769956766 /nfs/dbraw/zinc/95/67/66/769956766.db2.gz BTNQRTPTYPERFA-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC000993993028 769975400 /nfs/dbraw/zinc/97/54/00/769975400.db2.gz YDQMOZUDSWNIGO-ZIAGYGMSSA-N 1 1 334.424 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccon3)C2)C1 ZINC001018833713 770043050 /nfs/dbraw/zinc/04/30/50/770043050.db2.gz ZRVBHUDCHDOYIX-HNNXBMFYSA-N 1 1 342.399 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccon3)C2)C1 ZINC001018833713 770043060 /nfs/dbraw/zinc/04/30/60/770043060.db2.gz ZRVBHUDCHDOYIX-HNNXBMFYSA-N 1 1 342.399 0.447 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@H]21 ZINC001042120735 782805423 /nfs/dbraw/zinc/80/54/23/782805423.db2.gz ZRIVIXZBQVYHQJ-WCQYABFASA-N 1 1 337.401 0.097 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 ZINC001042121700 782806185 /nfs/dbraw/zinc/80/61/85/782806185.db2.gz JKHRCEWMGLKHCX-OLZOCXBDSA-N 1 1 339.827 0.257 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 ZINC001042121700 782806192 /nfs/dbraw/zinc/80/61/92/782806192.db2.gz JKHRCEWMGLKHCX-OLZOCXBDSA-N 1 1 339.827 0.257 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055910371 770178968 /nfs/dbraw/zinc/17/89/68/770178968.db2.gz MYBWNJMAPBVDOJ-QAPCUYQASA-N 1 1 335.448 0.354 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnon3)C2)[nH]1 ZINC001078382912 782818320 /nfs/dbraw/zinc/81/83/20/782818320.db2.gz UHVNKOOCPBSWCB-ZDUSSCGKSA-N 1 1 330.348 0.290 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@@H]21 ZINC001042129949 782821478 /nfs/dbraw/zinc/82/14/78/782821478.db2.gz MVVGNQWRRNHHPF-RDJZCZTQSA-N 1 1 343.427 0.664 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000994189437 770278452 /nfs/dbraw/zinc/27/84/52/770278452.db2.gz KNCTZNZVMAMWCX-UHFFFAOYSA-N 1 1 346.431 0.337 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001055935474 770281596 /nfs/dbraw/zinc/28/15/96/770281596.db2.gz UWUZKQZWCNGLOU-LJQANCHMSA-N 1 1 349.475 0.600 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(NC(=O)C#CC(C)(C)C)C1 ZINC001055940342 770298795 /nfs/dbraw/zinc/29/87/95/770298795.db2.gz LZTCAQTYBLFIGV-BEFAXECRSA-N 1 1 349.475 0.600 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCN(c3ccncc3C#N)CC2)no1 ZINC001055945463 770312112 /nfs/dbraw/zinc/31/21/12/770312112.db2.gz LWEWCOMDLKSNPX-UHFFFAOYSA-N 1 1 340.387 0.965 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCN(c2ncc(C#N)cc2F)CC1 ZINC001055955076 770356386 /nfs/dbraw/zinc/35/63/86/770356386.db2.gz RDCHMZLEEVUGPT-UHFFFAOYSA-N 1 1 328.351 0.946 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001055980797 770433530 /nfs/dbraw/zinc/43/35/30/770433530.db2.gz QTNLLTSSTVZIKF-SFHVURJKSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@H]1C ZINC001106872002 770460725 /nfs/dbraw/zinc/46/07/25/770460725.db2.gz AISBVZONVULRAV-RBSFLKMASA-N 1 1 347.463 0.796 20 30 ECEDMO C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@H]1C ZINC001106872002 770460729 /nfs/dbraw/zinc/46/07/29/770460729.db2.gz AISBVZONVULRAV-RBSFLKMASA-N 1 1 347.463 0.796 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 ZINC001042141562 782842782 /nfs/dbraw/zinc/84/27/82/782842782.db2.gz GTGVKOFBPVUGRO-HUUCEWRRSA-N 1 1 331.416 0.472 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CN3CN=NC3=O)C2)s1 ZINC001007159290 770530944 /nfs/dbraw/zinc/53/09/44/770530944.db2.gz BQVWUXQRJQGTCV-NSHDSACASA-N 1 1 346.416 0.698 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CN=NC3=O)C2)s1 ZINC001007159290 770530950 /nfs/dbraw/zinc/53/09/50/770530950.db2.gz BQVWUXQRJQGTCV-NSHDSACASA-N 1 1 346.416 0.698 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H]1C ZINC000994328849 770624184 /nfs/dbraw/zinc/62/41/84/770624184.db2.gz OMWMFZVAEDFFRM-ZFWWWQNUSA-N 1 1 335.452 0.826 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC000994335231 770633888 /nfs/dbraw/zinc/63/38/88/770633888.db2.gz GUWQYBFELWPIQZ-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001056037999 770640332 /nfs/dbraw/zinc/64/03/32/770640332.db2.gz BGFGHBVDKUSQMW-JEWRLFTDSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001056037999 770640336 /nfs/dbraw/zinc/64/03/36/770640336.db2.gz BGFGHBVDKUSQMW-JEWRLFTDSA-N 1 1 347.459 0.210 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001056060765 770710817 /nfs/dbraw/zinc/71/08/17/770710817.db2.gz MMMWTFOGICPNBA-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001019075366 770723109 /nfs/dbraw/zinc/72/31/09/770723109.db2.gz IATMWCAESPDHLE-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001019075366 770723115 /nfs/dbraw/zinc/72/31/15/770723115.db2.gz IATMWCAESPDHLE-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001078398739 782871115 /nfs/dbraw/zinc/87/11/15/782871115.db2.gz SMTXUDAWOYEJNG-OAHLLOKOSA-N 1 1 331.420 0.419 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001056124457 770882834 /nfs/dbraw/zinc/88/28/34/770882834.db2.gz MNAYFBHABPNIIK-VQIMIIECSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001056124868 770885100 /nfs/dbraw/zinc/88/51/00/770885100.db2.gz QYHREUGKGASESC-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]21 ZINC001056150533 770939226 /nfs/dbraw/zinc/93/92/26/770939226.db2.gz SNOLLMYBZNNPKE-MYZSUADSSA-N 1 1 329.379 0.737 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccn3nnnc23)CC(C)(C)C1 ZINC001089397614 771046844 /nfs/dbraw/zinc/04/68/44/771046844.db2.gz PKLRNSFVWVKZTO-CYBMUJFWSA-N 1 1 326.404 0.978 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC(C)(C)C1 ZINC001089401280 771059138 /nfs/dbraw/zinc/05/91/38/771059138.db2.gz RHYUVDJMUMMZNK-CQSZACIVSA-N 1 1 348.447 0.340 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccon2)C1 ZINC001078412775 782899450 /nfs/dbraw/zinc/89/94/50/782899450.db2.gz HIZCYGLOMNLWNM-SJORKVTESA-N 1 1 346.431 0.479 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)CC[N@H+]1C ZINC001056378722 771200136 /nfs/dbraw/zinc/20/01/36/771200136.db2.gz DIRSBAJQFSKYCP-CKENWRIRSA-N 1 1 340.431 0.629 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001019367378 771212832 /nfs/dbraw/zinc/21/28/32/771212832.db2.gz XIKYALCKOZSLFH-GFCCVEGCSA-N 1 1 345.403 0.570 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001077550933 771214289 /nfs/dbraw/zinc/21/42/89/771214289.db2.gz CBJVHPRECPEDMO-RBSFLKMASA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001077550933 771214293 /nfs/dbraw/zinc/21/42/93/771214293.db2.gz CBJVHPRECPEDMO-RBSFLKMASA-N 1 1 335.448 0.208 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001056413128 771245915 /nfs/dbraw/zinc/24/59/15/771245915.db2.gz PIPJEHPIFKFHMQ-BCUIYNNISA-N 1 1 326.404 0.383 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(C)nc3)C2)C1=O ZINC001031552252 771268288 /nfs/dbraw/zinc/26/82/88/771268288.db2.gz QHLRQIVRSQBROJ-INIZCTEOSA-N 1 1 328.416 0.839 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cccc(C)n3)C2)C1=O ZINC001031554987 771271981 /nfs/dbraw/zinc/27/19/81/771271981.db2.gz NQJSCQZXXIMULJ-MRXNPFEDSA-N 1 1 328.416 0.839 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC001019441270 771288393 /nfs/dbraw/zinc/28/83/93/771288393.db2.gz HTSWVVKSOCQXMW-HNNXBMFYSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001019482448 771346336 /nfs/dbraw/zinc/34/63/36/771346336.db2.gz VFOKDIMXQWZRSE-PWSUYJOCSA-N 1 1 330.396 0.456 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031594609 771368025 /nfs/dbraw/zinc/36/80/25/771368025.db2.gz GSBCEXCAXDSREM-KRWDZBQOSA-N 1 1 346.406 0.576 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031594609 771368029 /nfs/dbraw/zinc/36/80/29/771368029.db2.gz GSBCEXCAXDSREM-KRWDZBQOSA-N 1 1 346.406 0.576 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ncccc3C)C2)C1=O ZINC001031606676 771410875 /nfs/dbraw/zinc/41/08/75/771410875.db2.gz RWCCIANPTSDUSZ-OAHLLOKOSA-N 1 1 328.416 0.839 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC(C)(C)C1 ZINC001089535934 771411550 /nfs/dbraw/zinc/41/15/50/771411550.db2.gz YCJBRZPKNYEGKN-CYBMUJFWSA-N 1 1 348.447 0.557 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)CC(C)(C)C1 ZINC001089534838 771419385 /nfs/dbraw/zinc/41/93/85/771419385.db2.gz FDCJPZQEHMDXQI-ZDUSSCGKSA-N 1 1 336.436 0.721 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(c2nccnc2C#N)CCCO1 ZINC001089543163 771433344 /nfs/dbraw/zinc/43/33/44/771433344.db2.gz GGNGYWJQPRMUCV-AWEZNQCLSA-N 1 1 346.435 0.400 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001056648328 771467187 /nfs/dbraw/zinc/46/71/87/771467187.db2.gz QLLLFQROUMHOJB-WBVHZDCISA-N 1 1 343.431 0.417 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001056648328 771467190 /nfs/dbraw/zinc/46/71/90/771467190.db2.gz QLLLFQROUMHOJB-WBVHZDCISA-N 1 1 343.431 0.417 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001056667104 771490331 /nfs/dbraw/zinc/49/03/31/771490331.db2.gz UNSVGTJCGLHAEK-MRXNPFEDSA-N 1 1 343.431 0.997 20 30 ECEDMO N#Cc1ccc(N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001056667186 771490465 /nfs/dbraw/zinc/49/04/65/771490465.db2.gz ZGSJITDILPVGIC-MRXNPFEDSA-N 1 1 329.404 0.688 20 30 ECEDMO N#Cc1cc(C(=O)NCC2C[NH+]([C@@H]3CCN(C4CCC4)C3=O)C2)c[nH]1 ZINC001031623188 771508588 /nfs/dbraw/zinc/50/85/88/771508588.db2.gz WMDRHCAPWLPVKA-MRXNPFEDSA-N 1 1 341.415 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCCOCC3)C2)C1=O ZINC001031641606 771575262 /nfs/dbraw/zinc/57/52/62/771575262.db2.gz VPGIBDNADRKWHN-HZPDHXFCSA-N 1 1 335.448 0.638 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056806248 771667373 /nfs/dbraw/zinc/66/73/73/771667373.db2.gz CTGAQZGFCQPGMP-ZIAGYGMSSA-N 1 1 328.420 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2ncnc3nc[nH]c32)C1 ZINC001056811180 771674173 /nfs/dbraw/zinc/67/41/73/771674173.db2.gz MKANZPRSYVJKDK-OLZOCXBDSA-N 1 1 339.403 0.463 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2ncnc3nc[nH]c32)C1 ZINC001056811180 771674176 /nfs/dbraw/zinc/67/41/76/771674176.db2.gz MKANZPRSYVJKDK-OLZOCXBDSA-N 1 1 339.403 0.463 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001019673357 771701932 /nfs/dbraw/zinc/70/19/32/771701932.db2.gz OROUINXASHSEAF-ZDUSSCGKSA-N 1 1 340.387 0.226 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3ccnc(C#N)n3)C2)C1 ZINC001056930832 771822012 /nfs/dbraw/zinc/82/20/12/771822012.db2.gz WEKZEOSUCIICSO-KGLIPLIRSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3ccnc(C#N)n3)C2)C1 ZINC001056930832 771822017 /nfs/dbraw/zinc/82/20/17/771822017.db2.gz WEKZEOSUCIICSO-KGLIPLIRSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CC[C@H]3CCOC3)C2)CC1 ZINC001019815685 771831212 /nfs/dbraw/zinc/83/12/12/771831212.db2.gz KKLSCRAJLXIYDM-WMZOPIPTSA-N 1 1 333.476 0.949 20 30 ECEDMO CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001056942373 771840717 /nfs/dbraw/zinc/84/07/17/771840717.db2.gz WWDWPGLFNUSABC-ZIAGYGMSSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2nccc(OC)n2)C1 ZINC001057059880 772013138 /nfs/dbraw/zinc/01/31/38/772013138.db2.gz BCGBRCUONWWFDR-GJZGRUSLSA-N 1 1 343.431 0.620 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2nccc(OC)n2)C1 ZINC001057059880 772013143 /nfs/dbraw/zinc/01/31/43/772013143.db2.gz BCGBRCUONWWFDR-GJZGRUSLSA-N 1 1 343.431 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2cc(C)ncn2)C1 ZINC001057060592 772014830 /nfs/dbraw/zinc/01/48/30/772014830.db2.gz MISRYNACWQCLEQ-HOTGVXAUSA-N 1 1 327.432 0.920 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2cc(C)ncn2)C1 ZINC001057060592 772014836 /nfs/dbraw/zinc/01/48/36/772014836.db2.gz MISRYNACWQCLEQ-HOTGVXAUSA-N 1 1 327.432 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CCOCC2)[C@H]1C ZINC001019992201 772057124 /nfs/dbraw/zinc/05/71/24/772057124.db2.gz AGOSOTJYKWRWMY-XIRDDKMYSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CCOCC2)[C@H]1C ZINC001019992201 772057132 /nfs/dbraw/zinc/05/71/32/772057132.db2.gz AGOSOTJYKWRWMY-XIRDDKMYSA-N 1 1 347.459 0.616 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057115135 772108593 /nfs/dbraw/zinc/10/85/93/772108593.db2.gz CAOVTMJYNPPGJE-INIZCTEOSA-N 1 1 329.404 0.323 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057115135 772108595 /nfs/dbraw/zinc/10/85/95/772108595.db2.gz CAOVTMJYNPPGJE-INIZCTEOSA-N 1 1 329.404 0.323 20 30 ECEDMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C1CC1 ZINC001020085148 772139517 /nfs/dbraw/zinc/13/95/17/772139517.db2.gz GAZSOZHCHFCYJT-YUSALJHKSA-N 1 1 340.391 0.819 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001057143819 772159102 /nfs/dbraw/zinc/15/91/02/772159102.db2.gz CXDOBOFYODUPTL-HNNXBMFYSA-N 1 1 343.468 0.245 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057157302 772188009 /nfs/dbraw/zinc/18/80/09/772188009.db2.gz CWYHQMTVHHKVDT-AWEZNQCLSA-N 1 1 328.420 0.729 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057157339 772188103 /nfs/dbraw/zinc/18/81/03/772188103.db2.gz FHBHEDMBLYVIIW-AWEZNQCLSA-N 1 1 328.420 0.729 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@H](C[NH2+]Cc3cn(C)nn3)C2)C1 ZINC001078465454 782997988 /nfs/dbraw/zinc/99/79/88/782997988.db2.gz ZQSBEQJOMCLJMH-OAHLLOKOSA-N 1 1 333.436 0.879 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001020271500 772380657 /nfs/dbraw/zinc/38/06/57/772380657.db2.gz WJVPNRVACPTPKM-HUBLWGQQSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCCN3C)C2)C1=O ZINC001020302799 772418203 /nfs/dbraw/zinc/41/82/03/772418203.db2.gz SRCOCCSXCJVHSH-YHUYYLMFSA-N 1 1 334.464 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccc[nH]2)[C@H]1C ZINC001020306119 772422836 /nfs/dbraw/zinc/42/28/36/772422836.db2.gz DHQXEBVNPOEEHP-XIRDDKMYSA-N 1 1 342.443 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccc[nH]2)[C@H]1C ZINC001020306119 772422839 /nfs/dbraw/zinc/42/28/39/772422839.db2.gz DHQXEBVNPOEEHP-XIRDDKMYSA-N 1 1 342.443 0.760 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CCCO)[C@@H]3C2)nn1 ZINC001042267930 783011548 /nfs/dbraw/zinc/01/15/48/783011548.db2.gz YEJMQICPAWTSCH-GDBMZVCRSA-N 1 1 333.436 0.773 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3cncc(C#N)n3)CC2)C1 ZINC001057337101 772483234 /nfs/dbraw/zinc/48/32/34/772483234.db2.gz KRIRYSKZJAHEES-HNNXBMFYSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3cncc(C#N)n3)CC2)C1 ZINC001057337101 772483238 /nfs/dbraw/zinc/48/32/38/772483238.db2.gz KRIRYSKZJAHEES-HNNXBMFYSA-N 1 1 344.419 0.472 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCC(Nc3ccnc(C#N)n3)CC2)C1 ZINC001057420323 772595134 /nfs/dbraw/zinc/59/51/34/772595134.db2.gz UEWWWZOBYAPHIX-UHFFFAOYSA-N 1 1 342.447 0.905 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 ZINC001057426856 772601935 /nfs/dbraw/zinc/60/19/35/772601935.db2.gz JCBORHLKTYBIEK-DOMZBBRYSA-N 1 1 328.420 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057426990 772601940 /nfs/dbraw/zinc/60/19/40/772601940.db2.gz MCYUPYSZLKGMJV-TZMCWYRMSA-N 1 1 328.420 0.371 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNc2ccnc(C#N)n2)CC1 ZINC001057479677 772667354 /nfs/dbraw/zinc/66/73/54/772667354.db2.gz WFWJZPNVSPYHKQ-CQSZACIVSA-N 1 1 328.420 0.515 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(CNc3ccc(C#N)cn3)CC2)C1 ZINC001057483869 772672620 /nfs/dbraw/zinc/67/26/20/772672620.db2.gz PPCKEVDKACRLGD-INIZCTEOSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(CNc3ccc(C#N)cn3)CC2)C1 ZINC001057483869 772672621 /nfs/dbraw/zinc/67/26/21/772672621.db2.gz PPCKEVDKACRLGD-INIZCTEOSA-N 1 1 343.431 0.934 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)C ZINC001057525310 772718212 /nfs/dbraw/zinc/71/82/12/772718212.db2.gz OQLIUIBUZKAUGG-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057537515 772732909 /nfs/dbraw/zinc/73/29/09/772732909.db2.gz DUXAFKYTJGRCCP-MRXNPFEDSA-N 1 1 335.448 0.211 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057537514 772732946 /nfs/dbraw/zinc/73/29/46/772732946.db2.gz DUXAFKYTJGRCCP-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001057587528 772783406 /nfs/dbraw/zinc/78/34/06/772783406.db2.gz GQTFDYAHBFOYRP-MRXNPFEDSA-N 1 1 337.464 0.456 20 30 ECEDMO Cc1nc(N[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001057600912 772797589 /nfs/dbraw/zinc/79/75/89/772797589.db2.gz IPFAVEOTYCJAES-JKSUJKDBSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1nc(N[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001057600912 772797592 /nfs/dbraw/zinc/79/75/92/772797592.db2.gz IPFAVEOTYCJAES-JKSUJKDBSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001057641739 772852799 /nfs/dbraw/zinc/85/27/99/772852799.db2.gz COZNPKGDSMZCFH-UHFFFAOYSA-N 1 1 346.431 0.322 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057643720 772855454 /nfs/dbraw/zinc/85/54/54/772855454.db2.gz JEQVPRXQOZBUKI-KBPBESRZSA-N 1 1 336.436 0.587 20 30 ECEDMO N#Cc1nccnc1N[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001057668346 772891661 /nfs/dbraw/zinc/89/16/61/772891661.db2.gz UODCNSMJWVDQLU-CQSZACIVSA-N 1 1 344.419 0.473 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057717879 772940727 /nfs/dbraw/zinc/94/07/27/772940727.db2.gz BVKGZNUMBNKHJA-DLBZAZTESA-N 1 1 349.475 0.600 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)CC[N@H+]1C ZINC001057745836 772960157 /nfs/dbraw/zinc/96/01/57/772960157.db2.gz CGUNSZSYKHIXOH-JKSUJKDBSA-N 1 1 335.448 0.067 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057785467 772980953 /nfs/dbraw/zinc/98/09/53/772980953.db2.gz DTUXSZWNDPVOEJ-AWEZNQCLSA-N 1 1 328.420 0.775 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)C[N@@H+](C)C(C)C ZINC001057863290 773088093 /nfs/dbraw/zinc/08/80/93/773088093.db2.gz MGYQIABKGBCMMU-KRWDZBQOSA-N 1 1 327.469 0.866 20 30 ECEDMO C=CCCO[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057863566 773089501 /nfs/dbraw/zinc/08/95/01/773089501.db2.gz WWPICLVBPUDXAG-OAHLLOKOSA-N 1 1 343.468 0.245 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001057903674 773164733 /nfs/dbraw/zinc/16/47/33/773164733.db2.gz SUBQTCZKKHOUEH-HUUCEWRRSA-N 1 1 339.480 0.866 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001057942445 773234873 /nfs/dbraw/zinc/23/48/73/773234873.db2.gz GSTHUBDQUWIRRP-UHFFFAOYSA-N 1 1 339.480 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC1(C)CC1 ZINC001057962054 773293768 /nfs/dbraw/zinc/29/37/68/773293768.db2.gz FMAPANBNCSOJNS-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC1(C)CC1 ZINC001057962054 773293772 /nfs/dbraw/zinc/29/37/72/773293772.db2.gz FMAPANBNCSOJNS-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001040608440 783094772 /nfs/dbraw/zinc/09/47/72/783094772.db2.gz AZFKASAYAINHFU-LJQANCHMSA-N 1 1 349.475 0.744 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001058054570 773440140 /nfs/dbraw/zinc/44/01/40/773440140.db2.gz GIBPZKCHSMPWHZ-KRWDZBQOSA-N 1 1 349.475 0.457 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001058054951 773442504 /nfs/dbraw/zinc/44/25/04/773442504.db2.gz UDEBGBDIVSQKCH-GJZGRUSLSA-N 1 1 338.452 0.204 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058134480 773604540 /nfs/dbraw/zinc/60/45/40/773604540.db2.gz GJXBZXLKMAZCSF-ZBFHGGJFSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058134480 773604542 /nfs/dbraw/zinc/60/45/42/773604542.db2.gz GJXBZXLKMAZCSF-ZBFHGGJFSA-N 1 1 329.404 0.369 20 30 ECEDMO Cc1ccc(C#N)c(N2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058135043 773605105 /nfs/dbraw/zinc/60/51/05/773605105.db2.gz VDNFTGIHWKCLGR-HZPDHXFCSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1ccc(C#N)c(N2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058135043 773605110 /nfs/dbraw/zinc/60/51/10/773605110.db2.gz VDNFTGIHWKCLGR-HZPDHXFCSA-N 1 1 343.431 0.677 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058135103 773605201 /nfs/dbraw/zinc/60/52/01/773605201.db2.gz XEODAXNIHJJMJW-HUUCEWRRSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058135103 773605206 /nfs/dbraw/zinc/60/52/06/773605206.db2.gz XEODAXNIHJJMJW-HUUCEWRRSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058219400 773793261 /nfs/dbraw/zinc/79/32/61/773793261.db2.gz SEOARBODVZCVFN-KBPBESRZSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058265178 773878890 /nfs/dbraw/zinc/87/88/90/773878890.db2.gz AXJFRHLYAADHCG-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001058306052 773942593 /nfs/dbraw/zinc/94/25/93/773942593.db2.gz SKBBGALQOUDGRD-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCCCCCC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001058307246 773944105 /nfs/dbraw/zinc/94/41/05/773944105.db2.gz COCRZAJYMYTTAR-UHFFFAOYSA-N 1 1 348.447 0.712 20 30 ECEDMO C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039819208 783148617 /nfs/dbraw/zinc/14/86/17/783148617.db2.gz NEBBDRGMHMFAOO-KDOFPFPSSA-N 1 1 337.464 0.620 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058403685 774114674 /nfs/dbraw/zinc/11/46/74/774114674.db2.gz VXGDGNUBBLYOHS-ZIAGYGMSSA-N 1 1 342.447 0.947 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001058438003 774179374 /nfs/dbraw/zinc/17/93/74/774179374.db2.gz NPMWQXURUYGQTH-CABCVRRESA-N 1 1 327.469 0.722 20 30 ECEDMO C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001039830430 783167926 /nfs/dbraw/zinc/16/79/26/783167926.db2.gz GYJXLMUWMOICCN-GUYCJALGSA-N 1 1 334.420 0.634 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001058573109 774456850 /nfs/dbraw/zinc/45/68/50/774456850.db2.gz CFJQVPFHQQKHGL-MELADBBJSA-N 1 1 328.420 0.773 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058582887 774475558 /nfs/dbraw/zinc/47/55/58/774475558.db2.gz UTZIXOMSUUTNKK-KGLIPLIRSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nc(C)ncc2C)C1 ZINC001058589751 774491177 /nfs/dbraw/zinc/49/11/77/774491177.db2.gz LTUAOWJWPJNRCC-CVEARBPZSA-N 1 1 327.432 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nc(C)ncc2C)C1 ZINC001058589751 774491180 /nfs/dbraw/zinc/49/11/80/774491180.db2.gz LTUAOWJWPJNRCC-CVEARBPZSA-N 1 1 327.432 0.886 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(c1ccnc(C#N)n1)CC2 ZINC001058627539 774566407 /nfs/dbraw/zinc/56/64/07/774566407.db2.gz VRNKDSHNFZCNEV-ZIAGYGMSSA-N 1 1 340.431 0.918 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001044980473 774795076 /nfs/dbraw/zinc/79/50/76/774795076.db2.gz NCFGXMGXOKTZJZ-CHWSQXEVSA-N 1 1 334.420 0.339 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)n1C ZINC001045002657 774820320 /nfs/dbraw/zinc/82/03/20/774820320.db2.gz RZFMIZFZSLATMQ-AWEZNQCLSA-N 1 1 341.419 0.972 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C(C)C ZINC001045207638 775149953 /nfs/dbraw/zinc/14/99/53/775149953.db2.gz DFWTXDXAACAVTR-ZNMIVQPWSA-N 1 1 348.451 0.926 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)CC1 ZINC001070016590 790335017 /nfs/dbraw/zinc/33/50/17/790335017.db2.gz SOVMFZBBORPAKT-CVEARBPZSA-N 1 1 333.436 0.748 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001043910549 775289742 /nfs/dbraw/zinc/28/97/42/775289742.db2.gz RRWDOIBDPUXMIE-UHFFFAOYSA-N 1 1 332.404 0.237 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043910858 775290374 /nfs/dbraw/zinc/29/03/74/775290374.db2.gz WODOANICEHGEFG-UHFFFAOYSA-N 1 1 334.420 0.483 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O ZINC001043960162 775405588 /nfs/dbraw/zinc/40/55/88/775405588.db2.gz NKRTVUSHUWCTTJ-ZBFHGGJFSA-N 1 1 340.387 0.133 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](n2ccnn2)C1 ZINC001070023362 790358456 /nfs/dbraw/zinc/35/84/56/790358456.db2.gz NRWVIKHQSOITIU-CABCVRRESA-N 1 1 340.387 0.366 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001044011558 775509910 /nfs/dbraw/zinc/50/99/10/775509910.db2.gz QYHZNCJPBFBCFO-CQSZACIVSA-N 1 1 335.448 0.374 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1 ZINC001045676826 776022518 /nfs/dbraw/zinc/02/25/18/776022518.db2.gz PYYPNTLMJXLMLW-ZIAGYGMSSA-N 1 1 339.403 0.815 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(CC#Cc3ccccc3)C2)C1 ZINC001044322446 776149796 /nfs/dbraw/zinc/14/97/96/776149796.db2.gz GNQQDYRDHSDIIP-IBGZPJMESA-N 1 1 341.455 0.901 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(CC#Cc3ccccc3)C2)C1 ZINC001044322446 776149804 /nfs/dbraw/zinc/14/98/04/776149804.db2.gz GNQQDYRDHSDIIP-IBGZPJMESA-N 1 1 341.455 0.901 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O ZINC001044386708 776260845 /nfs/dbraw/zinc/26/08/45/776260845.db2.gz YRHUXCVFZLELOH-ILXRZTDVSA-N 1 1 347.394 0.242 20 30 ECEDMO N#Cc1nccc(NC[C@H]2C[C@H](NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC001068510546 790443601 /nfs/dbraw/zinc/44/36/01/790443601.db2.gz LZZBYHSNAQTSBG-DEYYWGMASA-N 1 1 340.431 0.563 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001079690664 776695442 /nfs/dbraw/zinc/69/54/42/776695442.db2.gz ATTCAITWRLYOGE-VNHYZAJKSA-N 1 1 329.404 0.222 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1CN(C(=O)C#CC(C)(C)C)C1 ZINC001079865720 776997949 /nfs/dbraw/zinc/99/79/49/776997949.db2.gz KPPYPXPHFNXAFA-INIZCTEOSA-N 1 1 349.475 0.816 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CN(C(=O)C#CC(C)(C)C)C1 ZINC001079865720 776997957 /nfs/dbraw/zinc/99/79/57/776997957.db2.gz KPPYPXPHFNXAFA-INIZCTEOSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)[C@@H](n2ccnn2)C1 ZINC001070070870 790504719 /nfs/dbraw/zinc/50/47/19/790504719.db2.gz YFKCDMJAIYDUAM-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)[C@@H](n2ccnn2)C1 ZINC001070070870 790504728 /nfs/dbraw/zinc/50/47/28/790504728.db2.gz YFKCDMJAIYDUAM-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001079929276 777100295 /nfs/dbraw/zinc/10/02/95/777100295.db2.gz VPSVXYHSGXTMDW-MRVWCRGKSA-N 1 1 345.403 0.019 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079930303 777103230 /nfs/dbraw/zinc/10/32/30/777103230.db2.gz JLWWODWZODYKJP-AWEZNQCLSA-N 1 1 325.453 0.977 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001080009202 777222864 /nfs/dbraw/zinc/22/28/64/777222864.db2.gz URKRYHCDSNJEGL-KRWDZBQOSA-N 1 1 348.491 0.484 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001070076308 790522018 /nfs/dbraw/zinc/52/20/18/790522018.db2.gz KJIMOGJWEYRDRA-KGLIPLIRSA-N 1 1 343.435 0.897 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)nc1 ZINC001070078797 790529830 /nfs/dbraw/zinc/52/98/30/790529830.db2.gz QQHHLHQSYIPAGU-CVEARBPZSA-N 1 1 342.378 0.669 20 30 ECEDMO CCN(C(=O)Cn1c[nH+]c2c1CCCC2)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001080108918 777403907 /nfs/dbraw/zinc/40/39/07/777403907.db2.gz RDOJYJJCANTNQA-CYBMUJFWSA-N 1 1 343.431 0.981 20 30 ECEDMO C#CCCCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001080223006 777580241 /nfs/dbraw/zinc/58/02/41/777580241.db2.gz NVDDNVJHVDIVRK-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001080223006 777580245 /nfs/dbraw/zinc/58/02/45/777580245.db2.gz NVDDNVJHVDIVRK-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO CC#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001080300226 777658146 /nfs/dbraw/zinc/65/81/46/777658146.db2.gz ZHLGUAGSNTYRMZ-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO CC#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001080300226 777658150 /nfs/dbraw/zinc/65/81/50/777658150.db2.gz ZHLGUAGSNTYRMZ-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070087735 790561634 /nfs/dbraw/zinc/56/16/34/790561634.db2.gz GXRZHUYDXIDTMR-CVEARBPZSA-N 1 1 349.398 0.833 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnnc3)C2)C1=O ZINC001080501905 777941730 /nfs/dbraw/zinc/94/17/30/777941730.db2.gz DZIUUISXTNCSGB-YUELXQCFSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnnc3)C2)C1=O ZINC001080501905 777941736 /nfs/dbraw/zinc/94/17/36/777941736.db2.gz DZIUUISXTNCSGB-YUELXQCFSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001043206206 777957895 /nfs/dbraw/zinc/95/78/95/777957895.db2.gz ZEQQSGIRDGJXIY-AWEZNQCLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@@H](n2ccnn2)C1 ZINC001070094000 790580211 /nfs/dbraw/zinc/58/02/11/790580211.db2.gz SVSXHPOHYGFJLK-CABCVRRESA-N 1 1 338.375 0.391 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@@H](n2ccnn2)C1 ZINC001070094000 790580217 /nfs/dbraw/zinc/58/02/17/790580217.db2.gz SVSXHPOHYGFJLK-CABCVRRESA-N 1 1 338.375 0.391 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001043211832 777973156 /nfs/dbraw/zinc/97/31/56/777973156.db2.gz YBQDJBYVKXQUDH-XYPHTWIQSA-N 1 1 343.431 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001043211832 777973166 /nfs/dbraw/zinc/97/31/66/777973166.db2.gz YBQDJBYVKXQUDH-XYPHTWIQSA-N 1 1 343.431 0.933 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001080534289 777976665 /nfs/dbraw/zinc/97/66/65/777976665.db2.gz RFIDNDXKKDEUHR-BMFZPTHFSA-N 1 1 345.447 0.415 20 30 ECEDMO O=C(C#CC1CC1)N1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001043235137 778024137 /nfs/dbraw/zinc/02/41/37/778024137.db2.gz GMOKUJBEIPYWHV-CVEARBPZSA-N 1 1 345.443 0.106 20 30 ECEDMO CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CN(C(=O)CSCC#N)C1 ZINC001080557814 778025881 /nfs/dbraw/zinc/02/58/81/778025881.db2.gz FGNKBDRECFIAPI-ZDUSSCGKSA-N 1 1 338.477 0.644 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001043251751 778047983 /nfs/dbraw/zinc/04/79/83/778047983.db2.gz MRUYEBPSDRPWJL-VNHYZAJKSA-N 1 1 328.420 0.949 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043267087 778071284 /nfs/dbraw/zinc/07/12/84/778071284.db2.gz PUYIMWNGQQNKJZ-CPUCHLNUSA-N 1 1 337.464 0.618 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070098850 790601195 /nfs/dbraw/zinc/60/11/95/790601195.db2.gz VZZHHQUMDOKWBN-XHSDSOJGSA-N 1 1 331.420 0.460 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070099669 790604104 /nfs/dbraw/zinc/60/41/04/790604104.db2.gz NEAKTVFBKNHELR-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070099669 790604110 /nfs/dbraw/zinc/60/41/10/790604110.db2.gz NEAKTVFBKNHELR-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043404262 778281215 /nfs/dbraw/zinc/28/12/15/778281215.db2.gz PSKIZPCMLWJBJT-DGCLKSJQSA-N 1 1 325.376 0.234 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043416331 778293407 /nfs/dbraw/zinc/29/34/07/778293407.db2.gz WRBBFCFDAJEYMP-OAHLLOKOSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001043416306 778293548 /nfs/dbraw/zinc/29/35/48/778293548.db2.gz WGLOQILUFVTLTO-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001043433852 778326906 /nfs/dbraw/zinc/32/69/06/778326906.db2.gz XZDXAWNJMZVQTC-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001043535873 778487410 /nfs/dbraw/zinc/48/74/10/778487410.db2.gz JKFPCFQIZYNRMJ-UHFFFAOYSA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@@H+](CC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1)C1CCC1 ZINC001043536570 778489081 /nfs/dbraw/zinc/48/90/81/778489081.db2.gz OVYYIBSDLMBZHV-UHFFFAOYSA-N 1 1 335.448 0.210 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(c3ncccc3C#N)C[C@@H]21 ZINC001043677185 778705440 /nfs/dbraw/zinc/70/54/40/778705440.db2.gz FXHBOXIZOCMMDD-OWCLPIDISA-N 1 1 341.415 0.463 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)C#N)O2 ZINC001068620627 790730662 /nfs/dbraw/zinc/73/06/62/790730662.db2.gz PEHXWNWGPJTTHO-KGLIPLIRSA-N 1 1 336.436 0.364 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cnccc3=O)C[C@@H]21 ZINC001042291826 780005219 /nfs/dbraw/zinc/00/52/19/780005219.db2.gz HGDOTPQLYSBEQJ-CVEARBPZSA-N 1 1 328.416 0.580 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(N4CCOCC4)CCC3)C[C@H]21 ZINC001042295515 780013014 /nfs/dbraw/zinc/01/30/14/780013014.db2.gz SDCUIZSKMXSKSE-IAGOWNOFSA-N 1 1 331.460 0.797 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 ZINC001042301240 780020539 /nfs/dbraw/zinc/02/05/39/780020539.db2.gz FDMPRZNMJWGEKE-CABCVRRESA-N 1 1 348.447 0.817 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 ZINC001042311003 780049365 /nfs/dbraw/zinc/04/93/65/780049365.db2.gz CVLYSWGBXRNFOZ-JSGCOSHPSA-N 1 1 342.403 0.530 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 ZINC001042311012 780049396 /nfs/dbraw/zinc/04/93/96/780049396.db2.gz DGAFSZQUWJDBIY-UONOGXRCSA-N 1 1 334.420 0.379 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]21 ZINC001042315915 780060330 /nfs/dbraw/zinc/06/03/30/780060330.db2.gz FDIQMQJJROKETO-HOTGVXAUSA-N 1 1 328.416 0.498 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001042350332 780117762 /nfs/dbraw/zinc/11/77/62/780117762.db2.gz YGFXRNNLBDHCNF-STQMWFEESA-N 1 1 327.388 0.135 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]21 ZINC001042354347 780126734 /nfs/dbraw/zinc/12/67/34/780126734.db2.gz RQVBYFDZTGMWSK-TZMCWYRMSA-N 1 1 332.404 0.598 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042510038 780367299 /nfs/dbraw/zinc/36/72/99/780367299.db2.gz GAARGLIGLOMXSA-UMVBOHGHSA-N 1 1 328.420 0.773 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042510427 780367491 /nfs/dbraw/zinc/36/74/91/780367491.db2.gz JPTMCENFIJIKNL-UMVBOHGHSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@H]1C ZINC001042621340 780542277 /nfs/dbraw/zinc/54/22/77/780542277.db2.gz PPYMYRPCJIEPJD-BMFZPTHFSA-N 1 1 327.432 0.824 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@H]1C ZINC001042621340 780542284 /nfs/dbraw/zinc/54/22/84/780542284.db2.gz PPYMYRPCJIEPJD-BMFZPTHFSA-N 1 1 327.432 0.824 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001042629832 780554606 /nfs/dbraw/zinc/55/46/06/780554606.db2.gz ZAAYHLACVKSYHX-QHSBEEBCSA-N 1 1 344.419 0.008 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001042629832 780554611 /nfs/dbraw/zinc/55/46/11/780554611.db2.gz ZAAYHLACVKSYHX-QHSBEEBCSA-N 1 1 344.419 0.008 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001042633444 780563939 /nfs/dbraw/zinc/56/39/39/780563939.db2.gz DXRMQDYBRCVXST-MGPQQGTHSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001078896786 780594872 /nfs/dbraw/zinc/59/48/72/780594872.db2.gz UBMWNQAGQGNKPD-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001078896786 780594877 /nfs/dbraw/zinc/59/48/77/780594877.db2.gz UBMWNQAGQGNKPD-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)=C2CCC2)C1 ZINC001042958828 781100073 /nfs/dbraw/zinc/10/00/73/781100073.db2.gz ZWYNHDPICXZKDB-INIZCTEOSA-N 1 1 345.443 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)=C2CCC2)C1 ZINC001042958828 781100076 /nfs/dbraw/zinc/10/00/76/781100076.db2.gz ZWYNHDPICXZKDB-INIZCTEOSA-N 1 1 345.443 0.274 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 ZINC001042958897 781100221 /nfs/dbraw/zinc/10/02/21/781100221.db2.gz ORLXKGSRTOIZIA-UHFFFAOYSA-N 1 1 344.415 0.075 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccc(OC)nc2)C1 ZINC001042959745 781100885 /nfs/dbraw/zinc/10/08/85/781100885.db2.gz AZSDETOJGJFROS-KRWDZBQOSA-N 1 1 342.443 0.830 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccc(OC)nc2)C1 ZINC001042959745 781100889 /nfs/dbraw/zinc/10/08/89/781100889.db2.gz AZSDETOJGJFROS-KRWDZBQOSA-N 1 1 342.443 0.830 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 ZINC001042960844 781103441 /nfs/dbraw/zinc/10/34/41/781103441.db2.gz OSYHKEWKOAUYPC-MRXNPFEDSA-N 1 1 347.459 0.067 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042969994 781117392 /nfs/dbraw/zinc/11/73/92/781117392.db2.gz FIFFUDPBWULTIB-AWEZNQCLSA-N 1 1 335.448 0.210 20 30 ECEDMO CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042977893 781127547 /nfs/dbraw/zinc/12/75/47/781127547.db2.gz QSTNNNKZCUVBBG-NWANDNLSSA-N 1 1 344.419 0.152 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042977412 781127592 /nfs/dbraw/zinc/12/75/92/781127592.db2.gz LGNHRYKUGZUOQR-NWANDNLSSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3=COCCC3)C2)C1=O ZINC001079485934 781171530 /nfs/dbraw/zinc/17/15/30/781171530.db2.gz DSIDHSFNYLDQHW-FVQBIDKESA-N 1 1 333.432 0.904 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526180 781221949 /nfs/dbraw/zinc/22/19/49/781221949.db2.gz IUZYMWBKFCHUKI-BHIYHBOVSA-N 1 1 341.455 0.805 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526180 781221956 /nfs/dbraw/zinc/22/19/56/781221956.db2.gz IUZYMWBKFCHUKI-BHIYHBOVSA-N 1 1 341.455 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@H]2CCOC2)C1 ZINC001079538832 781240050 /nfs/dbraw/zinc/24/00/50/781240050.db2.gz OSMRBXVUXNDSLM-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@H]2CCOC2)C1 ZINC001079538832 781240052 /nfs/dbraw/zinc/24/00/52/781240052.db2.gz OSMRBXVUXNDSLM-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581024 781285883 /nfs/dbraw/zinc/28/58/83/781285883.db2.gz AZMFZAQOSJXQKG-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581024 781285890 /nfs/dbraw/zinc/28/58/90/781285890.db2.gz AZMFZAQOSJXQKG-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077625384 781374949 /nfs/dbraw/zinc/37/49/49/781374949.db2.gz DYYUTWJMSLPIAJ-UYFTZEKXSA-N 1 1 347.459 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)nc1 ZINC001077631388 781385963 /nfs/dbraw/zinc/38/59/63/781385963.db2.gz CUTFFCYXIHSUJB-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC001077631388 781385967 /nfs/dbraw/zinc/38/59/67/781385967.db2.gz CUTFFCYXIHSUJB-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(=O)n(CCOC)n3)C2)C1 ZINC001041453864 781548739 /nfs/dbraw/zinc/54/87/39/781548739.db2.gz HTCBBOQOKFKWPR-SFHVURJKSA-N 1 1 344.415 0.061 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC001041503630 781647905 /nfs/dbraw/zinc/64/79/05/781647905.db2.gz QQTHYGFNOFMBNC-IMBTUZDBSA-N 1 1 332.444 0.986 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001041504280 781649945 /nfs/dbraw/zinc/64/99/45/781649945.db2.gz CWYBLGYBUITQDV-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cncc(-n4ccnn4)c3)C2)C1 ZINC001041504829 781650731 /nfs/dbraw/zinc/65/07/31/781650731.db2.gz COHYTLAGZCEYLN-GOSISDBHSA-N 1 1 336.399 0.834 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3COCCN3CC(F)F)C2)C1 ZINC001041509989 781667062 /nfs/dbraw/zinc/66/70/62/781667062.db2.gz UEMXGXWZQKFUAW-YOEHRIQHSA-N 1 1 341.402 0.510 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(n4cnnn4)CCCCC3)C2)C1 ZINC001041528985 781707554 /nfs/dbraw/zinc/70/75/54/781707554.db2.gz BPTJHWZUGSQTCR-QGZVFWFLSA-N 1 1 342.447 0.890 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(-n4cncn4)nc3)C2)C1 ZINC001041529581 781709284 /nfs/dbraw/zinc/70/92/84/781709284.db2.gz JLJVAVJPMQLGCI-SFHVURJKSA-N 1 1 336.399 0.834 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccnc4c3nnn4C)C2)C1 ZINC001041605884 781838337 /nfs/dbraw/zinc/83/83/37/781838337.db2.gz NXUKCFGLUANIKG-SFHVURJKSA-N 1 1 338.415 0.925 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001077884983 781876517 /nfs/dbraw/zinc/87/65/17/781876517.db2.gz FWRSXMPGSJSFPB-VXGBXAGGSA-N 1 1 327.306 0.899 20 30 ECEDMO CC#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077901283 781904301 /nfs/dbraw/zinc/90/43/01/781904301.db2.gz ISGGPHUMVPKOBX-ARFHVFGLSA-N 1 1 337.464 0.910 20 30 ECEDMO CC#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077901283 781904309 /nfs/dbraw/zinc/90/43/09/781904309.db2.gz ISGGPHUMVPKOBX-ARFHVFGLSA-N 1 1 337.464 0.910 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001040730500 783343457 /nfs/dbraw/zinc/34/34/57/783343457.db2.gz YGYPPSSVFFYABW-GOSISDBHSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001040814011 783491634 /nfs/dbraw/zinc/49/16/34/783491634.db2.gz DRNHMXWDNMFOBW-HNAYVOBHSA-N 1 1 349.475 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC3(C2)CCN(CC#N)CC3)C1 ZINC001040817183 783496694 /nfs/dbraw/zinc/49/66/94/783496694.db2.gz NGZOLWPCPNBGQZ-MRXNPFEDSA-N 1 1 334.464 0.934 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC3(C2)CCN(CC#N)CC3)C1 ZINC001040817183 783496699 /nfs/dbraw/zinc/49/66/99/783496699.db2.gz NGZOLWPCPNBGQZ-MRXNPFEDSA-N 1 1 334.464 0.934 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1n1ccnn1 ZINC001070174162 783596027 /nfs/dbraw/zinc/59/60/27/783596027.db2.gz AICGVLXNERPQGL-OLZOCXBDSA-N 1 1 348.794 0.787 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1 ZINC001070179949 783605290 /nfs/dbraw/zinc/60/52/90/783605290.db2.gz SBUPUNCKUAQNNJ-KGLIPLIRSA-N 1 1 345.794 0.886 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001070194700 783632313 /nfs/dbraw/zinc/63/23/13/783632313.db2.gz JGVYWPAIWHBVHL-ZNMIVQPWSA-N 1 1 339.403 0.096 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 ZINC001070232059 783706105 /nfs/dbraw/zinc/70/61/05/783706105.db2.gz BMBMJKYVYCEZRC-GFCCVEGCSA-N 1 1 333.392 0.133 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1 ZINC001070302548 783805221 /nfs/dbraw/zinc/80/52/21/783805221.db2.gz YJRPUYWOKRRBGH-OLZOCXBDSA-N 1 1 333.783 0.476 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070332388 783839881 /nfs/dbraw/zinc/83/98/81/783839881.db2.gz BGHYOHBMVOOBHD-ILXRZTDVSA-N 1 1 331.424 0.018 20 30 ECEDMO C#CCN1Cc2cnn(C3CCN(C(=O)[C@H]4CC[N@H+](C)C4)CC3)c2C1 ZINC001070351265 783863352 /nfs/dbraw/zinc/86/33/52/783863352.db2.gz PNWQCRONWFCBAV-HNNXBMFYSA-N 1 1 341.459 0.947 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2=COCCO2)C1 ZINC001070391844 783946237 /nfs/dbraw/zinc/94/62/37/783946237.db2.gz GEDCZYQBIPPXOP-CYBMUJFWSA-N 1 1 330.388 0.727 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H]2CCNC(=O)CC2)[nH]1 ZINC001038173231 783948693 /nfs/dbraw/zinc/94/86/93/783948693.db2.gz NDDOKTSTTLHPRI-GXTWGEPZSA-N 1 1 329.404 0.607 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2N)C1 ZINC001070406344 783987198 /nfs/dbraw/zinc/98/71/98/783987198.db2.gz SAUOIZFFEQYNIW-GFCCVEGCSA-N 1 1 341.419 0.468 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ncn(C)n2)C1 ZINC001070408493 783993805 /nfs/dbraw/zinc/99/38/05/783993805.db2.gz UHNJPCVTLDJKFI-GFCCVEGCSA-N 1 1 327.392 0.281 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(OCC)n[nH]2)C1 ZINC001070413069 784006409 /nfs/dbraw/zinc/00/64/09/784006409.db2.gz RZKQKIRJZWNGCX-GFCCVEGCSA-N 1 1 342.403 0.884 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001070413196 784008607 /nfs/dbraw/zinc/00/86/07/784008607.db2.gz WKHISVUAMRCLKD-ZFWWWQNUSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001070413178 784009011 /nfs/dbraw/zinc/00/90/11/784009011.db2.gz VSDLVXWISQLJMD-UKRRQHHQSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001070413208 784009023 /nfs/dbraw/zinc/00/90/23/784009023.db2.gz WQGSJDMJMDBMFT-IJEWVQPXSA-N 1 1 345.447 0.168 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001070413984 784011363 /nfs/dbraw/zinc/01/13/63/784011363.db2.gz AUPBXNZEASPEOZ-AWEZNQCLSA-N 1 1 339.399 0.461 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001070420011 784027629 /nfs/dbraw/zinc/02/76/29/784027629.db2.gz NVAOHZSHVNLJLH-LBPRGKRZSA-N 1 1 342.403 0.591 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001070419871 784028151 /nfs/dbraw/zinc/02/81/51/784028151.db2.gz KLCYYDCYFQJBCH-HIFRSBDPSA-N 1 1 343.431 0.459 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001070421507 784031742 /nfs/dbraw/zinc/03/17/42/784031742.db2.gz NMIORFBSKINLOM-ARLBYUKCSA-N 1 1 328.416 0.731 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001070422812 784035303 /nfs/dbraw/zinc/03/53/03/784035303.db2.gz ITBSQCDAFDXKJB-LLVKDONJSA-N 1 1 330.392 0.754 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070422812 784035308 /nfs/dbraw/zinc/03/53/08/784035308.db2.gz ITBSQCDAFDXKJB-LLVKDONJSA-N 1 1 330.392 0.754 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070422812 784035313 /nfs/dbraw/zinc/03/53/13/784035313.db2.gz ITBSQCDAFDXKJB-LLVKDONJSA-N 1 1 330.392 0.754 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(C)n2)C1 ZINC001070431457 784053761 /nfs/dbraw/zinc/05/37/61/784053761.db2.gz WADOGQZGZJGMJG-GFCCVEGCSA-N 1 1 327.392 0.281 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001070434120 784061892 /nfs/dbraw/zinc/06/18/92/784061892.db2.gz MUIJMSQSJFTNCJ-ZBFHGGJFSA-N 1 1 347.463 0.722 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](c3nnc(C)[nH]3)C3(C[NH+](CCO)C3)C2)C1 ZINC001070449291 784106264 /nfs/dbraw/zinc/10/62/64/784106264.db2.gz ONSJBZWGBOVYBF-AWEZNQCLSA-N 1 1 345.447 0.690 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](c2nnc(C)[nH]2)C2(C[NH+](CCO)C2)C1 ZINC001070449794 784107416 /nfs/dbraw/zinc/10/74/16/784107416.db2.gz WYLUTLIKRZECTD-CYBMUJFWSA-N 1 1 333.436 0.545 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@](C)(O)C=C)C1 ZINC001070921934 784120390 /nfs/dbraw/zinc/12/03/90/784120390.db2.gz TWYMNCLFSYXWEQ-JTDSTZFVSA-N 1 1 347.459 0.518 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@](C)(O)C=C)C1 ZINC001070921934 784120395 /nfs/dbraw/zinc/12/03/95/784120395.db2.gz TWYMNCLFSYXWEQ-JTDSTZFVSA-N 1 1 347.459 0.518 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(C)c2ccc(C#N)nn2)CC1 ZINC001068727354 791006766 /nfs/dbraw/zinc/00/67/66/791006766.db2.gz NWVGPURJTRDTNQ-XJKSGUPXSA-N 1 1 342.447 0.973 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(C)c2cncc(C#N)n2)CC1 ZINC001068727557 791006915 /nfs/dbraw/zinc/00/69/15/791006915.db2.gz RSUZARGKHMUZRW-CZUORRHYSA-N 1 1 342.447 0.973 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1c1cn(C)cn1 ZINC001070520933 784223573 /nfs/dbraw/zinc/22/35/73/784223573.db2.gz NTJKZQQVUVZNMQ-WCQYABFASA-N 1 1 349.826 0.797 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)n2cncn2)CC1 ZINC001070957570 784226305 /nfs/dbraw/zinc/22/63/05/784226305.db2.gz LOOLIFJCFQOIAI-AWEZNQCLSA-N 1 1 334.424 0.066 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)n2cncn2)CC1 ZINC001070957570 784226309 /nfs/dbraw/zinc/22/63/09/784226309.db2.gz LOOLIFJCFQOIAI-AWEZNQCLSA-N 1 1 334.424 0.066 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncn(C)n2)CC1 ZINC001070961268 784236930 /nfs/dbraw/zinc/23/69/30/784236930.db2.gz QLXXIBUZTGICON-UHFFFAOYSA-N 1 1 334.424 0.045 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2ncn(C)n2)CC1 ZINC001070961268 784236940 /nfs/dbraw/zinc/23/69/40/784236940.db2.gz QLXXIBUZTGICON-UHFFFAOYSA-N 1 1 334.424 0.045 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001070968254 784261381 /nfs/dbraw/zinc/26/13/81/784261381.db2.gz WHOLUXWBIXBGKD-KRWDZBQOSA-N 1 1 348.491 0.535 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001070971527 784274769 /nfs/dbraw/zinc/27/47/69/784274769.db2.gz DJHNLTWNLAPTSE-MRXNPFEDSA-N 1 1 336.480 0.697 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001071004446 784381837 /nfs/dbraw/zinc/38/18/37/784381837.db2.gz FTXMVXRMOYSKCO-MRXNPFEDSA-N 1 1 345.447 0.508 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001071004446 784381846 /nfs/dbraw/zinc/38/18/46/784381846.db2.gz FTXMVXRMOYSKCO-MRXNPFEDSA-N 1 1 345.447 0.508 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(=O)NCC[N@H+](CC(C)C)CC2)nn1 ZINC001071007611 784392760 /nfs/dbraw/zinc/39/27/60/784392760.db2.gz SAYNFNUZXRCLAN-UHFFFAOYSA-N 1 1 348.451 0.384 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccncn2)CC1 ZINC001071009309 784398072 /nfs/dbraw/zinc/39/80/72/784398072.db2.gz KLDLLYVEDUDFPF-UHFFFAOYSA-N 1 1 331.420 0.707 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccncn2)CC1 ZINC001071009309 784398082 /nfs/dbraw/zinc/39/80/82/784398082.db2.gz KLDLLYVEDUDFPF-UHFFFAOYSA-N 1 1 331.420 0.707 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC001071014240 784414991 /nfs/dbraw/zinc/41/49/91/784414991.db2.gz FUCKCSLDXMCAEP-CRAIPNDOSA-N 1 1 333.432 0.087 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC001071014240 784414999 /nfs/dbraw/zinc/41/49/99/784414999.db2.gz FUCKCSLDXMCAEP-CRAIPNDOSA-N 1 1 333.432 0.087 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C2=COCCO2)n1 ZINC001070600402 784415567 /nfs/dbraw/zinc/41/55/67/784415567.db2.gz UPPHKOQKMMAXAY-UONOGXRCSA-N 1 1 346.387 0.432 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](C(C)C)CC2)nc1 ZINC001071015375 784419956 /nfs/dbraw/zinc/41/99/56/784419956.db2.gz ARQDFSPQOZOQET-UHFFFAOYSA-N 1 1 328.416 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](C(C)C)CC2)nc1 ZINC001071015375 784419963 /nfs/dbraw/zinc/41/99/63/784419963.db2.gz ARQDFSPQOZOQET-UHFFFAOYSA-N 1 1 328.416 0.735 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnnn2C)n1 ZINC001070602728 784421841 /nfs/dbraw/zinc/42/18/41/784421841.db2.gz ZUOKVPYWUBWOJD-QWHCGFSZSA-N 1 1 345.407 0.539 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](C(C)C)CC2)cn1 ZINC001071016772 784427197 /nfs/dbraw/zinc/42/71/97/784427197.db2.gz WHBIAAAHFGFIQA-UHFFFAOYSA-N 1 1 328.416 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](C(C)C)CC2)cn1 ZINC001071016772 784427200 /nfs/dbraw/zinc/42/72/00/784427200.db2.gz WHBIAAAHFGFIQA-UHFFFAOYSA-N 1 1 328.416 0.735 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2nn(CC)nc2C)CC1 ZINC001071025381 784454134 /nfs/dbraw/zinc/45/41/34/784454134.db2.gz DGXZQKNAMCJZNI-UHFFFAOYSA-N 1 1 348.451 0.447 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2nn(CC)nc2C)CC1 ZINC001071025381 784454142 /nfs/dbraw/zinc/45/41/42/784454142.db2.gz DGXZQKNAMCJZNI-UHFFFAOYSA-N 1 1 348.451 0.447 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cncn1C ZINC001070645379 784489951 /nfs/dbraw/zinc/48/99/51/784489951.db2.gz SMBCSBXQHPXIHK-VXGBXAGGSA-N 1 1 349.826 0.499 20 30 ECEDMO Cn1cncc1[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCC#N ZINC001070657893 784511009 /nfs/dbraw/zinc/51/10/09/784511009.db2.gz QVJGKNKLLPQBQI-BZUAXINKSA-N 1 1 344.463 0.702 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)C[C@H](C)O2 ZINC001071129316 784570128 /nfs/dbraw/zinc/57/01/28/784570128.db2.gz JBFZNCWOXROBQF-MAUKXSAKSA-N 1 1 329.400 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nccnc1N)C[C@H](C)O2 ZINC001071146304 784600209 /nfs/dbraw/zinc/60/02/09/784600209.db2.gz JNLAVUJAUYPHOT-SUMWQHHRSA-N 1 1 329.404 0.388 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1nnc[nH]1)C[C@@H](C)O2 ZINC001071151408 784610968 /nfs/dbraw/zinc/61/09/68/784610968.db2.gz HSYKVWOZMCNTGP-PBHICJAKSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001070729259 784612300 /nfs/dbraw/zinc/61/23/00/784612300.db2.gz FITIFXMXLMRTJE-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@H](C)O2 ZINC001071159881 784627485 /nfs/dbraw/zinc/62/74/85/784627485.db2.gz SSRXWAFNUKZMCU-KBXCAEBGSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001071175530 784663535 /nfs/dbraw/zinc/66/35/35/784663535.db2.gz FZHIUXIGLVKMAH-CRAIPNDOSA-N 1 1 333.432 0.972 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(C)nc1C)C[C@H](C)O2 ZINC001071178448 784672660 /nfs/dbraw/zinc/67/26/60/784672660.db2.gz PNWPVGZTIBPHIZ-KSSFIOAISA-N 1 1 330.432 0.596 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3n[nH]cc3c1)C[C@@H](C)O2 ZINC001071178774 784674146 /nfs/dbraw/zinc/67/41/46/784674146.db2.gz WBEWMKJXIGUJPB-ACJLOTCBSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3nc[nH]c3n1)C[C@@H](C)O2 ZINC001071179845 784677126 /nfs/dbraw/zinc/67/71/26/784677126.db2.gz AQOYWUCHHKPPQW-FZKQIMNGSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3nc[nH]c3n1)C[C@@H](C)O2 ZINC001071179845 784677133 /nfs/dbraw/zinc/67/71/33/784677133.db2.gz AQOYWUCHHKPPQW-FZKQIMNGSA-N 1 1 339.399 0.897 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCNC1=O)C[C@@H](C)O2 ZINC001071182928 784683299 /nfs/dbraw/zinc/68/32/99/784683299.db2.gz GMZYSESILHKYQJ-PBHICJAKSA-N 1 1 336.436 0.280 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@@H](C)O2 ZINC001071183676 784685362 /nfs/dbraw/zinc/68/53/62/784685362.db2.gz RMPLIDJRLJQWJQ-APWZRJJASA-N 1 1 347.459 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1C(=O)CCC1=O)C[C@@H](C)O2 ZINC001071186746 784691848 /nfs/dbraw/zinc/69/18/48/784691848.db2.gz XMQLMANZULMPGV-RDTXWAMCSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@H](C)O2 ZINC001071189001 784692918 /nfs/dbraw/zinc/69/29/18/784692918.db2.gz DOSDKWPKKLIIGG-SCLBCKFNSA-N 1 1 345.399 0.707 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](C)O[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001071196512 784713996 /nfs/dbraw/zinc/71/39/96/784713996.db2.gz CWYGQJQQERDZPI-KSSFIOAISA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001071196512 784714001 /nfs/dbraw/zinc/71/40/01/784714001.db2.gz CWYGQJQQERDZPI-KSSFIOAISA-N 1 1 337.464 0.979 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)n1C)C[C@@H](C)O2 ZINC001071198914 784718113 /nfs/dbraw/zinc/71/81/13/784718113.db2.gz HAGWQQXCFIOHCE-DYVFJYSZSA-N 1 1 332.404 0.454 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@@H](C)O2 ZINC001071203582 784728280 /nfs/dbraw/zinc/72/82/80/784728280.db2.gz DWNLGNXFHQDEBG-PBHICJAKSA-N 1 1 335.448 0.910 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@H](C)O2 ZINC001071209327 784741250 /nfs/dbraw/zinc/74/12/50/784741250.db2.gz IDANKHSXHMBKHL-YVEFUNNKSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@H](C)O2 ZINC001071209327 784741253 /nfs/dbraw/zinc/74/12/53/784741253.db2.gz IDANKHSXHMBKHL-YVEFUNNKSA-N 1 1 331.372 0.317 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@H](C)O2 ZINC001071209207 784741547 /nfs/dbraw/zinc/74/15/47/784741547.db2.gz GTURCYKBVJSLSU-YJBOKZPZSA-N 1 1 345.447 0.463 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CCCO)C3)C2)c1 ZINC001071211152 784744304 /nfs/dbraw/zinc/74/43/04/784744304.db2.gz COQURKXELXCORS-DNVCBOLYSA-N 1 1 343.427 0.751 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(CC)c1CC)C[C@H](C)O2 ZINC001071211505 784745572 /nfs/dbraw/zinc/74/55/72/784745572.db2.gz JELHZBBVKNCZJJ-KSSFIOAISA-N 1 1 345.447 0.799 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(CC)c1CC)C[C@H](C)O2 ZINC001071211505 784745577 /nfs/dbraw/zinc/74/55/77/784745577.db2.gz JELHZBBVKNCZJJ-KSSFIOAISA-N 1 1 345.447 0.799 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@H](C)O2 ZINC001071212229 784747490 /nfs/dbraw/zinc/74/74/90/784747490.db2.gz UTIQIESZEBSIAV-SCLBCKFNSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)C[C@@H](C)O2 ZINC001071216336 784756234 /nfs/dbraw/zinc/75/62/34/784756234.db2.gz PCYSDZRAVBOSFB-CZUORRHYSA-N 1 1 336.823 0.862 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC=C)nn1)C[C@H](C)O2 ZINC001071216865 784758891 /nfs/dbraw/zinc/75/88/91/784758891.db2.gz XITYAMQSTBWQRU-YOEHRIQHSA-N 1 1 329.404 0.403 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC=C)nn1)C[C@H](C)O2 ZINC001071216865 784758893 /nfs/dbraw/zinc/75/88/93/784758893.db2.gz XITYAMQSTBWQRU-YOEHRIQHSA-N 1 1 329.404 0.403 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cnnn1)C[C@H](C)O2 ZINC001071222590 784775833 /nfs/dbraw/zinc/77/58/33/784775833.db2.gz DRLGKEDIEIIFEJ-GOEBONIOSA-N 1 1 334.424 0.331 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnn(CC)c1)C[C@H](C)O2 ZINC001071225426 784780462 /nfs/dbraw/zinc/78/04/62/784780462.db2.gz KCKJRSDMFJNCBH-YJBOKZPZSA-N 1 1 330.432 0.771 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@H](C)O2 ZINC001071232168 784796073 /nfs/dbraw/zinc/79/60/73/784796073.db2.gz ZYLVXGMKMKKFMZ-KXBFYZLASA-N 1 1 343.427 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(=O)Nc1cc(C)on1)C[C@@H](C)O2 ZINC001071237601 784805622 /nfs/dbraw/zinc/80/56/22/784805622.db2.gz AGDTZJLGMUOLCB-DYVFJYSZSA-N 1 1 348.403 0.799 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CCC1=O)C[C@@H](C)O2 ZINC001071239120 784810838 /nfs/dbraw/zinc/81/08/38/784810838.db2.gz WNHITXKOEWTHSZ-CXAGYDPISA-N 1 1 335.404 0.013 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@H](C)O2 ZINC001071240278 784812583 /nfs/dbraw/zinc/81/25/83/784812583.db2.gz CEAJXDYPLITXQM-SJCJKPOMSA-N 1 1 330.388 0.052 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)C[C@@H](C)O2 ZINC001071240697 784813156 /nfs/dbraw/zinc/81/31/56/784813156.db2.gz JSLMYBVHOFXBRY-AUUYWEPGSA-N 1 1 341.411 0.724 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@H](C)O2 ZINC001071243372 784820198 /nfs/dbraw/zinc/82/01/98/784820198.db2.gz FKAXAMUNUTUGTD-KSSFIOAISA-N 1 1 346.431 0.053 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)cs1)C[C@H](C)O2 ZINC001071244429 784822540 /nfs/dbraw/zinc/82/25/40/784822540.db2.gz UVNUZQDTWYAMBN-YVEFUNNKSA-N 1 1 347.440 0.786 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)cs1)C[C@H](C)O2 ZINC001071244429 784822551 /nfs/dbraw/zinc/82/25/51/784822551.db2.gz UVNUZQDTWYAMBN-YVEFUNNKSA-N 1 1 347.440 0.786 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)nc1)C[C@H](C)O2 ZINC001071248825 784831911 /nfs/dbraw/zinc/83/19/11/784831911.db2.gz UEASRXHPJUAZKE-UGSOOPFHSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)C(=O)C1 ZINC001071253059 784843153 /nfs/dbraw/zinc/84/31/53/784843153.db2.gz FYQKLEVZQDKJAH-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)C(=O)C1 ZINC001071253059 784843161 /nfs/dbraw/zinc/84/31/61/784843161.db2.gz FYQKLEVZQDKJAH-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001071340998 784980808 /nfs/dbraw/zinc/98/08/08/784980808.db2.gz XABNTSPWNMCHLE-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001068763938 791097043 /nfs/dbraw/zinc/09/70/43/791097043.db2.gz FYPYABLALDDNFS-GJZGRUSLSA-N 1 1 333.432 0.226 20 30 ECEDMO C=CCOCC(=O)N[C@H]1COC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001068764706 791100882 /nfs/dbraw/zinc/10/08/82/791100882.db2.gz WKNFBGXSRBBZQG-CQSZACIVSA-N 1 1 339.436 0.017 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001071926477 785349029 /nfs/dbraw/zinc/34/90/29/785349029.db2.gz YOIHXPMPSZFAMS-SWLSCSKDSA-N 1 1 331.420 0.805 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071662793 785477722 /nfs/dbraw/zinc/47/77/22/785477722.db2.gz XYFKWLWPTPHPGV-QWHCGFSZSA-N 1 1 326.466 0.548 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C ZINC001071987461 785482120 /nfs/dbraw/zinc/48/21/20/785482120.db2.gz DAQARGNYOXYUEB-RYUDHWBXSA-N 1 1 330.392 0.576 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@@H]1C ZINC001071701541 785554583 /nfs/dbraw/zinc/55/45/83/785554583.db2.gz KRXBTEVSWSKFPH-UONOGXRCSA-N 1 1 341.415 0.937 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@@H]1C ZINC001071701541 785554592 /nfs/dbraw/zinc/55/45/92/785554592.db2.gz KRXBTEVSWSKFPH-UONOGXRCSA-N 1 1 341.415 0.937 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1C ZINC001072033773 785555658 /nfs/dbraw/zinc/55/56/58/785555658.db2.gz OTXHUYZSYDSRJZ-UKRRQHHQSA-N 1 1 335.452 0.826 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1C ZINC001072050479 785574092 /nfs/dbraw/zinc/57/40/92/785574092.db2.gz YFLZPCVUKQYASO-CHWSQXEVSA-N 1 1 336.436 0.862 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001071744012 785624783 /nfs/dbraw/zinc/62/47/83/785624783.db2.gz IGBYXNQNKRUFNE-SWLSCSKDSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001071744012 785624791 /nfs/dbraw/zinc/62/47/91/785624791.db2.gz IGBYXNQNKRUFNE-SWLSCSKDSA-N 1 1 339.403 0.865 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001072125515 785706966 /nfs/dbraw/zinc/70/69/66/785706966.db2.gz MMWJVPNGKYTFSU-KGLIPLIRSA-N 1 1 348.451 0.381 20 30 ECEDMO C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072258871 785903377 /nfs/dbraw/zinc/90/33/77/785903377.db2.gz HBUUGWCKTJPLKO-RYUDHWBXSA-N 1 1 342.407 0.298 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)cn1 ZINC001072287357 785984169 /nfs/dbraw/zinc/98/41/69/785984169.db2.gz VTGBLFHPAUINPX-PBHICJAKSA-N 1 1 342.443 0.980 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)nn1 ZINC001072287261 785984205 /nfs/dbraw/zinc/98/42/05/785984205.db2.gz URBSBRBXAPVMIQ-KBPBESRZSA-N 1 1 348.451 0.381 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cn1 ZINC001072467229 786224906 /nfs/dbraw/zinc/22/49/06/786224906.db2.gz FGASEEYQXMIDFL-RHSMWYFYSA-N 1 1 342.443 0.980 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072476990 786240624 /nfs/dbraw/zinc/24/06/24/786240624.db2.gz XRBBXXJBBFHDHW-ZIAGYGMSSA-N 1 1 340.493 0.938 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001072479207 786246694 /nfs/dbraw/zinc/24/66/94/786246694.db2.gz UFMUIBLSDFRUKB-SWLSCSKDSA-N 1 1 331.420 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C)cn1 ZINC001072479279 786247355 /nfs/dbraw/zinc/24/73/55/786247355.db2.gz VCEWVIAHRUVLER-WMLDXEAASA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCCOCC(=O)N[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001072481272 786254115 /nfs/dbraw/zinc/25/41/15/786254115.db2.gz OAIKABPSHGHVCD-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001074215723 786450333 /nfs/dbraw/zinc/45/03/33/786450333.db2.gz MMNYHSQHLUFZSB-DLBZAZTESA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001074215723 786450339 /nfs/dbraw/zinc/45/03/39/786450339.db2.gz MMNYHSQHLUFZSB-DLBZAZTESA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C[C@H]21 ZINC001074267094 786548566 /nfs/dbraw/zinc/54/85/66/786548566.db2.gz WRVIQGYNUOAGKC-HUUCEWRRSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C[C@H]21 ZINC001074267094 786548572 /nfs/dbraw/zinc/54/85/72/786548572.db2.gz WRVIQGYNUOAGKC-HUUCEWRRSA-N 1 1 342.403 0.844 20 30 ECEDMO Cn1nccc1C[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073577343 786662832 /nfs/dbraw/zinc/66/28/32/786662832.db2.gz YYDYEPZQDLUFDG-INIZCTEOSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1nccc1C[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073577343 786662839 /nfs/dbraw/zinc/66/28/39/786662839.db2.gz YYDYEPZQDLUFDG-INIZCTEOSA-N 1 1 342.403 0.641 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001073605209 786758742 /nfs/dbraw/zinc/75/87/42/786758742.db2.gz FDPVMFFSMXTCGQ-CYBMUJFWSA-N 1 1 334.424 0.272 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001073605209 786758749 /nfs/dbraw/zinc/75/87/49/786758749.db2.gz FDPVMFFSMXTCGQ-CYBMUJFWSA-N 1 1 334.424 0.272 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001073605343 786760617 /nfs/dbraw/zinc/76/06/17/786760617.db2.gz IPTFNVNEYDYQNW-CYBMUJFWSA-N 1 1 336.440 0.825 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001073618213 786781585 /nfs/dbraw/zinc/78/15/85/786781585.db2.gz XPGQPZUGEPUYBR-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001073624025 786795018 /nfs/dbraw/zinc/79/50/18/786795018.db2.gz ZURRIPQYMCWEOR-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001073631399 786819337 /nfs/dbraw/zinc/81/93/37/786819337.db2.gz QKHIXSAFZUMWFT-HNNXBMFYSA-N 1 1 346.431 0.818 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001073631399 786819346 /nfs/dbraw/zinc/81/93/46/786819346.db2.gz QKHIXSAFZUMWFT-HNNXBMFYSA-N 1 1 346.431 0.818 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ncccc2NC(C)=O)C1 ZINC001073631845 786820012 /nfs/dbraw/zinc/82/00/12/786820012.db2.gz ULLJYHHKUUCAJB-HNNXBMFYSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001073637459 786839154 /nfs/dbraw/zinc/83/91/54/786839154.db2.gz ZTORANJRIJRAGJ-CYBMUJFWSA-N 1 1 343.383 0.471 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001073637459 786839164 /nfs/dbraw/zinc/83/91/64/786839164.db2.gz ZTORANJRIJRAGJ-CYBMUJFWSA-N 1 1 343.383 0.471 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 ZINC001074399542 786856105 /nfs/dbraw/zinc/85/61/05/786856105.db2.gz GOWLTESSSSMEIB-HOTGVXAUSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 ZINC001074399542 786856112 /nfs/dbraw/zinc/85/61/12/786856112.db2.gz GOWLTESSSSMEIB-HOTGVXAUSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001073645670 786860907 /nfs/dbraw/zinc/86/09/07/786860907.db2.gz UVPNYXRYXZCWNI-CQSZACIVSA-N 1 1 332.404 0.257 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001073647558 786867828 /nfs/dbraw/zinc/86/78/28/786867828.db2.gz LAZVDKQLKATXPM-ZDUSSCGKSA-N 1 1 329.356 0.987 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001073647558 786867839 /nfs/dbraw/zinc/86/78/39/786867839.db2.gz LAZVDKQLKATXPM-ZDUSSCGKSA-N 1 1 329.356 0.987 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001074403180 786869184 /nfs/dbraw/zinc/86/91/84/786869184.db2.gz RPFWSOAXDBNTKC-GJZGRUSLSA-N 1 1 349.431 0.403 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001074403180 786869194 /nfs/dbraw/zinc/86/91/94/786869194.db2.gz RPFWSOAXDBNTKC-GJZGRUSLSA-N 1 1 349.431 0.403 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001074403202 786870052 /nfs/dbraw/zinc/87/00/52/786870052.db2.gz RWQNQGVSQMHZKF-ZIAGYGMSSA-N 1 1 335.404 0.013 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001074403202 786870060 /nfs/dbraw/zinc/87/00/60/786870060.db2.gz RWQNQGVSQMHZKF-ZIAGYGMSSA-N 1 1 335.404 0.013 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@H]21 ZINC001074405209 786878872 /nfs/dbraw/zinc/87/88/72/786878872.db2.gz NYWBSYBXMPCJHF-CVEARBPZSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@H]21 ZINC001074405209 786878885 /nfs/dbraw/zinc/87/88/85/786878885.db2.gz NYWBSYBXMPCJHF-CVEARBPZSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001073660510 786902373 /nfs/dbraw/zinc/90/23/73/786902373.db2.gz GRMNJYYUOPIGKI-BZUAXINKSA-N 1 1 325.453 0.489 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001073664729 786912842 /nfs/dbraw/zinc/91/28/42/786912842.db2.gz NRPROBKEJFBOHT-JKSUJKDBSA-N 1 1 325.453 0.490 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001073665592 786915134 /nfs/dbraw/zinc/91/51/34/786915134.db2.gz YMRWIMYHHNXCON-OAHLLOKOSA-N 1 1 343.431 0.531 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001073665592 786915141 /nfs/dbraw/zinc/91/51/41/786915141.db2.gz YMRWIMYHHNXCON-OAHLLOKOSA-N 1 1 343.431 0.531 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]21 ZINC001074418041 786920709 /nfs/dbraw/zinc/92/07/09/786920709.db2.gz YMMRTRGSWXZCAO-HZPDHXFCSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]21 ZINC001074418041 786920714 /nfs/dbraw/zinc/92/07/14/786920714.db2.gz YMMRTRGSWXZCAO-HZPDHXFCSA-N 1 1 344.415 0.672 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073677252 786947142 /nfs/dbraw/zinc/94/71/42/786947142.db2.gz BOGYHMPZFDKPRL-ZDUSSCGKSA-N 1 1 342.399 0.420 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3sccn3c2=O)C1 ZINC001073684382 786966424 /nfs/dbraw/zinc/96/64/24/786966424.db2.gz PJNWZVLEEJPQEX-LBPRGKRZSA-N 1 1 348.428 0.763 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c(OC)ccnc2OC)C1 ZINC001073691061 786976946 /nfs/dbraw/zinc/97/69/46/786976946.db2.gz PBHAKHJMTSIMFC-ZDUSSCGKSA-N 1 1 333.388 0.553 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(OC)ccnc2OC)C1 ZINC001073691061 786976953 /nfs/dbraw/zinc/97/69/53/786976953.db2.gz PBHAKHJMTSIMFC-ZDUSSCGKSA-N 1 1 333.388 0.553 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001073696969 786990488 /nfs/dbraw/zinc/99/04/88/786990488.db2.gz VHFVJLALCIIUJB-CQSZACIVSA-N 1 1 342.403 0.207 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001073697872 786994752 /nfs/dbraw/zinc/99/47/52/786994752.db2.gz SABOPTYUBULUBE-ZDUSSCGKSA-N 1 1 335.404 0.780 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3nccn3c2)C1 ZINC001073698173 786995348 /nfs/dbraw/zinc/99/53/48/786995348.db2.gz WRINEZKIMKWCQX-OAHLLOKOSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001073703377 787007081 /nfs/dbraw/zinc/00/70/81/787007081.db2.gz MYCUKZHYVMGTLB-HUUCEWRRSA-N 1 1 333.436 0.624 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001073705924 787015429 /nfs/dbraw/zinc/01/54/29/787015429.db2.gz CEEFOPQOZKQZJP-BZUAXINKSA-N 1 1 330.432 0.754 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001073719574 787047223 /nfs/dbraw/zinc/04/72/23/787047223.db2.gz KSXFFAHRPSCLQB-HNNXBMFYSA-N 1 1 341.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001073719574 787047230 /nfs/dbraw/zinc/04/72/30/787047230.db2.gz KSXFFAHRPSCLQB-HNNXBMFYSA-N 1 1 341.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001073719575 787048092 /nfs/dbraw/zinc/04/80/92/787048092.db2.gz KSXFFAHRPSCLQB-OAHLLOKOSA-N 1 1 341.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001073719575 787048100 /nfs/dbraw/zinc/04/81/00/787048100.db2.gz KSXFFAHRPSCLQB-OAHLLOKOSA-N 1 1 341.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3onc(C)c3c2)C1 ZINC001073721842 787054787 /nfs/dbraw/zinc/05/47/87/787054787.db2.gz BHQRPYIMUIRTQR-AWEZNQCLSA-N 1 1 328.372 0.985 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3onc(C)c3c2)C1 ZINC001073721842 787054793 /nfs/dbraw/zinc/05/47/93/787054793.db2.gz BHQRPYIMUIRTQR-AWEZNQCLSA-N 1 1 328.372 0.985 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001073748556 787121678 /nfs/dbraw/zinc/12/16/78/787121678.db2.gz GYQGQHLHMNBPHG-AEFFLSMTSA-N 1 1 344.459 0.984 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2ncn3C)C1 ZINC001073762922 787152196 /nfs/dbraw/zinc/15/21/96/787152196.db2.gz QJBQYNHSIKAFOP-AWEZNQCLSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001074518830 787156396 /nfs/dbraw/zinc/15/63/96/787156396.db2.gz ULZMUNIMYSVURI-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001074518957 787158154 /nfs/dbraw/zinc/15/81/54/787158154.db2.gz YFKGNPAPSVHVFX-OAHLLOKOSA-N 1 1 335.448 0.210 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001074520272 787160266 /nfs/dbraw/zinc/16/02/66/787160266.db2.gz SNQIZUGBLCRCES-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001073766318 787161069 /nfs/dbraw/zinc/16/10/69/787161069.db2.gz BPBSSORWFKJBPG-AWEZNQCLSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnnn2-c2ccccc2)C1 ZINC001073791320 787205708 /nfs/dbraw/zinc/20/57/08/787205708.db2.gz FUBYGJZFGOHQPO-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnnn2-c2ccccc2)C1 ZINC001073791320 787205712 /nfs/dbraw/zinc/20/57/12/787205712.db2.gz FUBYGJZFGOHQPO-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)nn1 ZINC001073807405 787238791 /nfs/dbraw/zinc/23/87/91/787238791.db2.gz OFMPDOJBRWJELB-GJZGRUSLSA-N 1 1 349.435 0.321 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001073816751 787253582 /nfs/dbraw/zinc/25/35/82/787253582.db2.gz FOGMMKIKQTUJJK-UKRRQHHQSA-N 1 1 334.420 0.747 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn3nccc3nc2C)C1 ZINC001073840219 787324419 /nfs/dbraw/zinc/32/44/19/787324419.db2.gz SIJHARQNNOKVBL-AWEZNQCLSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3nccc3nc2C)C1 ZINC001073840219 787324430 /nfs/dbraw/zinc/32/44/30/787324430.db2.gz SIJHARQNNOKVBL-AWEZNQCLSA-N 1 1 327.388 0.492 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001074593286 787348492 /nfs/dbraw/zinc/34/84/92/787348492.db2.gz MTBOPBUONCCRMY-OAHLLOKOSA-N 1 1 335.448 0.067 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001074594136 787353520 /nfs/dbraw/zinc/35/35/20/787353520.db2.gz MSJHFYYKXXNTEN-UHFFFAOYSA-N 1 1 334.420 0.627 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C)c1nnnn1C ZINC001074609816 787385250 /nfs/dbraw/zinc/38/52/50/787385250.db2.gz HBGJWWKQGSBORE-SCVCMEIPSA-N 1 1 328.380 0.364 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 ZINC001073862544 787390867 /nfs/dbraw/zinc/39/08/67/787390867.db2.gz VAMZWHFUGMCOMQ-AWEZNQCLSA-N 1 1 331.420 0.387 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)CCCO2)nc1 ZINC001073865570 787400042 /nfs/dbraw/zinc/40/00/42/787400042.db2.gz JWKAVNDKAMUBEE-DZGCQCFKSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)CCCO2)nc1 ZINC001073865570 787400048 /nfs/dbraw/zinc/40/00/48/787400048.db2.gz JWKAVNDKAMUBEE-DZGCQCFKSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@H](C)COC)CCCO2)cn1 ZINC001073865944 787401165 /nfs/dbraw/zinc/40/11/65/787401165.db2.gz QFAZSCXIYXKUQL-PBHICJAKSA-N 1 1 331.416 0.919 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001073876421 787420109 /nfs/dbraw/zinc/42/01/09/787420109.db2.gz BUJRKVVAMVDHBM-CQSZACIVSA-N 1 1 344.419 0.748 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001073886278 787437068 /nfs/dbraw/zinc/43/70/68/787437068.db2.gz LJNFQPSWMQTLFO-INIZCTEOSA-N 1 1 342.403 0.669 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CCC)CC1 ZINC001074626865 787440750 /nfs/dbraw/zinc/44/07/50/787440750.db2.gz DAGDVHBYCLETGY-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CCC)CC1 ZINC001074626865 787440754 /nfs/dbraw/zinc/44/07/54/787440754.db2.gz DAGDVHBYCLETGY-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001073896361 787466169 /nfs/dbraw/zinc/46/61/69/787466169.db2.gz QJOXVKJYXLFTEX-JKSUJKDBSA-N 1 1 325.453 0.490 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001073898874 787473113 /nfs/dbraw/zinc/47/31/13/787473113.db2.gz DYSBUAWZTXYZJH-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001073898874 787473115 /nfs/dbraw/zinc/47/31/15/787473115.db2.gz DYSBUAWZTXYZJH-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001073901749 787482807 /nfs/dbraw/zinc/48/28/07/787482807.db2.gz DJYDOBVGMDRGBY-GJZGRUSLSA-N 1 1 331.420 0.071 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)cs2)C1 ZINC001073902165 787484730 /nfs/dbraw/zinc/48/47/30/787484730.db2.gz VWYMGZKYPKUANI-ZDUSSCGKSA-N 1 1 335.429 0.691 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001073918509 787524446 /nfs/dbraw/zinc/52/44/46/787524446.db2.gz JAVQCPLGOFEKEL-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001073962333 787592859 /nfs/dbraw/zinc/59/28/59/787592859.db2.gz CXVGIMRPOXYCQT-CVEARBPZSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001073971845 787610689 /nfs/dbraw/zinc/61/06/89/787610689.db2.gz OWLXPTJNXGHTRX-HIFRSBDPSA-N 1 1 334.420 0.747 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001074026759 787716562 /nfs/dbraw/zinc/71/65/62/787716562.db2.gz FWTVYLNYSUPLDD-DOTOQJQBSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001074058837 787785390 /nfs/dbraw/zinc/78/53/90/787785390.db2.gz LYXRSAWXTSPQHB-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001074058837 787785395 /nfs/dbraw/zinc/78/53/95/787785395.db2.gz LYXRSAWXTSPQHB-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCC[C@@H]2C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC001074063735 787796766 /nfs/dbraw/zinc/79/67/66/787796766.db2.gz SBRORPJGAYYLLL-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CC[N@@H+](CCN2CCCC2=O)C3)c1 ZINC001072595060 788391969 /nfs/dbraw/zinc/39/19/69/788391969.db2.gz DQDACBYOJQOIKK-UHFFFAOYSA-N 1 1 341.415 0.657 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CCCCO4)C3)C2)C1=O ZINC001072627834 788467101 /nfs/dbraw/zinc/46/71/01/788467101.db2.gz BBIDGLFDOPEIAI-CVEARBPZSA-N 1 1 347.459 0.877 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CCN2CCNC2=O)C3)[nH]1 ZINC001072635345 788476643 /nfs/dbraw/zinc/47/66/43/788476643.db2.gz PCIJZIUFZUPXDO-UHFFFAOYSA-N 1 1 342.403 0.059 20 30 ECEDMO O=C([C@@H]1COC(=O)N1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001072686075 788587752 /nfs/dbraw/zinc/58/77/52/788587752.db2.gz BSYRWRQQCRUPQB-INIZCTEOSA-N 1 1 339.395 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H](O)C(C)C)C3)C2)C1=O ZINC001072699742 788615393 /nfs/dbraw/zinc/61/53/93/788615393.db2.gz IHQCWEWKGKPHBF-HUUCEWRRSA-N 1 1 335.448 0.325 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cc[nH]c4)C3)C2)C1=O ZINC001072769230 788757813 /nfs/dbraw/zinc/75/78/13/788757813.db2.gz XRESZLYZEHHDRQ-OAHLLOKOSA-N 1 1 328.416 0.950 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)Cc3nnn(C(C)(C)C)n3)C2)C1 ZINC001072774458 788766419 /nfs/dbraw/zinc/76/64/19/788766419.db2.gz TUCCHKAVFPRBHV-UHFFFAOYSA-N 1 1 330.436 0.528 20 30 ECEDMO C#CCN1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C2)C1 ZINC001072811693 788858678 /nfs/dbraw/zinc/85/86/78/788858678.db2.gz BPPHTWKEGGSOLP-QGZVFWFLSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CCN1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C2)C1 ZINC001072811693 788858691 /nfs/dbraw/zinc/85/86/91/788858691.db2.gz BPPHTWKEGGSOLP-QGZVFWFLSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cnc4ccccn4c3=O)C2)C1 ZINC001072862215 788984253 /nfs/dbraw/zinc/98/42/53/788984253.db2.gz SXPHHNYBRRMBGV-UHFFFAOYSA-N 1 1 336.395 0.866 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001072944757 789147414 /nfs/dbraw/zinc/14/74/14/789147414.db2.gz KOIKOQDZMMSUNZ-DYVFJYSZSA-N 1 1 333.432 0.928 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC001072984861 789223021 /nfs/dbraw/zinc/22/30/21/789223021.db2.gz STBGGPCMVQAMOV-OLZOCXBDSA-N 1 1 325.840 0.998 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC001072984861 789223030 /nfs/dbraw/zinc/22/30/30/789223030.db2.gz STBGGPCMVQAMOV-OLZOCXBDSA-N 1 1 325.840 0.998 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)Cn3nnc4c3CCCC4)C2)C1 ZINC001072988568 789232150 /nfs/dbraw/zinc/23/21/50/789232150.db2.gz BASLBTBKNWCYDP-UHFFFAOYSA-N 1 1 327.432 0.715 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC001073000877 789257781 /nfs/dbraw/zinc/25/77/81/789257781.db2.gz KDNHUSZOCDDSRV-AWEZNQCLSA-N 1 1 330.436 0.736 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001073029029 789304543 /nfs/dbraw/zinc/30/45/43/789304543.db2.gz JTQNANVZYJLAEV-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC001073029642 789306441 /nfs/dbraw/zinc/30/64/41/789306441.db2.gz CTOCEELVZPAUDX-UHFFFAOYSA-N 1 1 346.431 0.198 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(C)(NC(=O)CSCC#N)CC2)C1 ZINC001073038838 789321983 /nfs/dbraw/zinc/32/19/83/789321983.db2.gz RZXLPXGYESDJLZ-CYBMUJFWSA-N 1 1 338.477 0.692 20 30 ECEDMO C=CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001075397304 789324183 /nfs/dbraw/zinc/32/41/83/789324183.db2.gz KHCFPMRIVXTQIM-GJZGRUSLSA-N 1 1 333.436 0.909 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001073063332 789373232 /nfs/dbraw/zinc/37/32/32/789373232.db2.gz OXQJLGCHEPFFJN-OWCLPIDISA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)CC1 ZINC001075455265 789378577 /nfs/dbraw/zinc/37/85/77/789378577.db2.gz BNLARYWOJPRJEY-RDJZCZTQSA-N 1 1 346.475 0.984 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C(C)(F)F)[C@@H]3C2)C1=O ZINC001075485595 789403575 /nfs/dbraw/zinc/40/35/75/789403575.db2.gz MFDLUSITQKZKQZ-RWMBFGLXSA-N 1 1 327.375 0.961 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4cccn4)[C@@H]3C2)C1=O ZINC001075547766 789482570 /nfs/dbraw/zinc/48/25/70/789482570.db2.gz ZAXZNDVZFPRXAL-HRCADAONSA-N 1 1 343.431 0.203 20 30 ECEDMO C=CC[N@H+]1CCC2(CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C2)C1 ZINC001073135820 789508656 /nfs/dbraw/zinc/50/86/56/789508656.db2.gz OHJIDKJMORJRAN-UHFFFAOYSA-N 1 1 325.368 0.904 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2N(c2cnc(C#N)cn2)CC3)C1 ZINC001069265536 789716919 /nfs/dbraw/zinc/71/69/19/789716919.db2.gz CFQBEZAXXNMGFI-JOQOYGCGSA-N 1 1 340.431 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCOC)CC1(C)C ZINC001073419053 789812418 /nfs/dbraw/zinc/81/24/18/789812418.db2.gz MSCWLQYIWMLLST-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCOC)CC1(C)C ZINC001073419053 789812422 /nfs/dbraw/zinc/81/24/22/789812422.db2.gz MSCWLQYIWMLLST-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1=CCN(c2nccnc2C#N)CC1 ZINC001069814802 790048933 /nfs/dbraw/zinc/04/89/33/790048933.db2.gz GLNWGYIXUMMDNI-OAHLLOKOSA-N 1 1 326.404 0.695 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 ZINC001069860254 790112449 /nfs/dbraw/zinc/11/24/49/790112449.db2.gz LLNLCOYRXLIVLX-HNNXBMFYSA-N 1 1 330.436 0.711 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)c2C1 ZINC001069873489 790135414 /nfs/dbraw/zinc/13/54/14/790135414.db2.gz HGLBUDXAVILLFF-HOCLYGCPSA-N 1 1 329.448 0.536 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cnn3c2C[N@H+](CC2CC2)CC3)nn1 ZINC001069876826 790138810 /nfs/dbraw/zinc/13/88/10/790138810.db2.gz PKHUQXQYGQZFNI-UHFFFAOYSA-N 1 1 341.419 0.816 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cnn3c2C[N@@H+](CC2CC2)CC3)nn1 ZINC001069876826 790138813 /nfs/dbraw/zinc/13/88/13/790138813.db2.gz PKHUQXQYGQZFNI-UHFFFAOYSA-N 1 1 341.419 0.816 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069905980 790175154 /nfs/dbraw/zinc/17/51/54/790175154.db2.gz ZHODTCPUAXRPPB-KGLIPLIRSA-N 1 1 328.376 0.562 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069905980 790175158 /nfs/dbraw/zinc/17/51/58/790175158.db2.gz ZHODTCPUAXRPPB-KGLIPLIRSA-N 1 1 328.376 0.562 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069929990 790202984 /nfs/dbraw/zinc/20/29/84/790202984.db2.gz XAHIHTMXVJYLAO-FZKCQIBNSA-N 1 1 333.436 0.867 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069929990 790202987 /nfs/dbraw/zinc/20/29/87/790202987.db2.gz XAHIHTMXVJYLAO-FZKCQIBNSA-N 1 1 333.436 0.867 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069952626 790233905 /nfs/dbraw/zinc/23/39/05/790233905.db2.gz WOARKEODLVIZNU-KGLIPLIRSA-N 1 1 343.391 0.395 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cncn3C2)[C@@H](n2ccnn2)C1 ZINC001069964169 790249403 /nfs/dbraw/zinc/24/94/03/790249403.db2.gz YSUBSYZWQDWEOK-IMJJTQAJSA-N 1 1 341.419 0.265 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3cncn3C2)[C@@H](n2ccnn2)C1 ZINC001069964169 790249409 /nfs/dbraw/zinc/24/94/09/790249409.db2.gz YSUBSYZWQDWEOK-IMJJTQAJSA-N 1 1 341.419 0.265 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001068837760 791232577 /nfs/dbraw/zinc/23/25/77/791232577.db2.gz AVYJZKLCANISHH-HNNXBMFYSA-N 1 1 335.448 0.616 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2 ZINC001068863495 791296645 /nfs/dbraw/zinc/29/66/45/791296645.db2.gz XUOTZFNZQLWPLS-HNNXBMFYSA-N 1 1 342.399 0.091 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001068935937 791457178 /nfs/dbraw/zinc/45/71/78/791457178.db2.gz VSKZBDAKFITVOE-HZPDHXFCSA-N 1 1 347.459 0.474 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001068939541 791465623 /nfs/dbraw/zinc/46/56/23/791465623.db2.gz FIRNZHBHMGVEPL-HNNXBMFYSA-N 1 1 349.475 0.864 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001068939544 791465812 /nfs/dbraw/zinc/46/58/12/791465812.db2.gz FIRNZHBHMGVEPL-OAHLLOKOSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001069000540 791568353 /nfs/dbraw/zinc/56/83/53/791568353.db2.gz GPMDJDCTYGBOHO-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001069036316 791630232 /nfs/dbraw/zinc/63/02/32/791630232.db2.gz ZVPRXFGXDGVQEO-OAHLLOKOSA-N 1 1 335.448 0.474 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](CNc2nccnc2C#N)C1 ZINC001066675254 791966248 /nfs/dbraw/zinc/96/62/48/791966248.db2.gz FWFMVKKQLRFWJC-KBPBESRZSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3nccnc3C#N)C2)C1 ZINC001066675698 791968559 /nfs/dbraw/zinc/96/85/59/791968559.db2.gz QLYNWBLIQYJHCS-UONOGXRCSA-N 1 1 344.419 0.329 20 30 ECEDMO COCC(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)c(C)n3)CC2)C1 ZINC001066697788 792014868 /nfs/dbraw/zinc/01/48/68/792014868.db2.gz CSVLWNMDNUGTDS-MRXNPFEDSA-N 1 1 343.431 0.631 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001066736743 792071970 /nfs/dbraw/zinc/07/19/70/792071970.db2.gz VHHBCEVHNXUXGZ-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001066736743 792071981 /nfs/dbraw/zinc/07/19/81/792071981.db2.gz VHHBCEVHNXUXGZ-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSCC#N ZINC001066872149 792243834 /nfs/dbraw/zinc/24/38/34/792243834.db2.gz XAOADYSJIYXTJW-CYBMUJFWSA-N 1 1 326.466 0.644 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1CN(C)c1ccc(C#N)nn1 ZINC001067781912 792277626 /nfs/dbraw/zinc/27/76/26/792277626.db2.gz HBAPQJVOMNFQRJ-HNNXBMFYSA-N 1 1 339.403 0.981 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067899098 792446047 /nfs/dbraw/zinc/44/60/47/792446047.db2.gz IRZYMPGUGDPEQS-JXQTWKCFSA-N 1 1 328.420 0.561 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC[C@H]1C ZINC001067979381 792536711 /nfs/dbraw/zinc/53/67/11/792536711.db2.gz BBZOWVCKSWHNJK-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2nccnc2C#N)CC[C@H]1C ZINC001067981249 792539870 /nfs/dbraw/zinc/53/98/70/792539870.db2.gz XPBHLKHBAKZLTO-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001067000620 792543608 /nfs/dbraw/zinc/54/36/08/792543608.db2.gz OGQRRNOXLZTMIV-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)CC2(C)C)C1 ZINC001068113698 792694310 /nfs/dbraw/zinc/69/43/10/792694310.db2.gz POLWZHIWUVQZPT-GXTWGEPZSA-N 1 1 328.420 0.631 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001068127422 792717911 /nfs/dbraw/zinc/71/79/11/792717911.db2.gz ZKAXLMQWPJCSMF-CQSZACIVSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC001068157240 792756445 /nfs/dbraw/zinc/75/64/45/792756445.db2.gz AYRHSGFQFRRJHI-JONQDZQNSA-N 1 1 325.416 0.846 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)CC[N@H+]1C ZINC001068207655 792828594 /nfs/dbraw/zinc/82/85/94/792828594.db2.gz UUNBZOJSTMYCMO-BTAUDXDXSA-N 1 1 340.431 0.487 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3ccc(C#N)nn3)CC2)C1 ZINC001067250765 792887059 /nfs/dbraw/zinc/88/70/59/792887059.db2.gz SOFYNOGFFYNGGC-CQSZACIVSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3ccc(C#N)nn3)CC2)C1 ZINC001067250765 792887065 /nfs/dbraw/zinc/88/70/65/792887065.db2.gz SOFYNOGFFYNGGC-CQSZACIVSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3nccnc3C#N)CC2)C1 ZINC001067250283 792887298 /nfs/dbraw/zinc/88/72/98/792887298.db2.gz IHLIRKWNJJTGCW-AWEZNQCLSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3nccnc3C#N)CC2)C1 ZINC001067250283 792887301 /nfs/dbraw/zinc/88/73/01/792887301.db2.gz IHLIRKWNJJTGCW-AWEZNQCLSA-N 1 1 344.419 0.472 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1C ZINC001067400185 793099520 /nfs/dbraw/zinc/09/95/20/793099520.db2.gz BDYKTSUCQDBGRC-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001067426851 793138626 /nfs/dbraw/zinc/13/86/26/793138626.db2.gz ADAPVTWUWYLEDA-UHFFFAOYSA-N 1 1 334.420 0.538 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001067431512 793149168 /nfs/dbraw/zinc/14/91/68/793149168.db2.gz RMTGNKUFUMGQMJ-HZPDHXFCSA-N 1 1 337.464 0.673 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001068392966 793196048 /nfs/dbraw/zinc/19/60/48/793196048.db2.gz HHFPHOPTESPDQF-UHFFFAOYSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068401704 793226424 /nfs/dbraw/zinc/22/64/24/793226424.db2.gz CDARVQAMKOBPMJ-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068402576 793227645 /nfs/dbraw/zinc/22/76/45/793227645.db2.gz DFAUYTGRFOXQIL-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)CN(C(=O)C[N@@H+](C)C(C)C)CCO2 ZINC001068406112 793237783 /nfs/dbraw/zinc/23/77/83/793237783.db2.gz IESYMIOKVSKDGN-UHFFFAOYSA-N 1 1 349.475 0.960 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001267422948 837394995 /nfs/dbraw/zinc/39/49/95/837394995.db2.gz ILENIPRUNONDEG-GASCZTMLSA-N 1 1 346.431 0.407 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC001267422948 837395007 /nfs/dbraw/zinc/39/50/07/837395007.db2.gz ILENIPRUNONDEG-GASCZTMLSA-N 1 1 346.431 0.407 20 30 ECEDMO CCn1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#CCOC)cn1 ZINC001267431954 837411847 /nfs/dbraw/zinc/41/18/47/837411847.db2.gz ADJICSMPJURAPJ-CALCHBBNSA-N 1 1 330.432 0.771 20 30 ECEDMO CCn1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#CCOC)cn1 ZINC001267431954 837411851 /nfs/dbraw/zinc/41/18/51/837411851.db2.gz ADJICSMPJURAPJ-CALCHBBNSA-N 1 1 330.432 0.771 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](CNC(=O)C(N)=O)c1ccc(C(C)C)cc1 ZINC001267517138 837611022 /nfs/dbraw/zinc/61/10/22/837611022.db2.gz JBDRBYOQANMMOQ-OAHLLOKOSA-N 1 1 346.431 0.344 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2coc(C)n2)C1 ZINC001267524511 837682993 /nfs/dbraw/zinc/68/29/93/837682993.db2.gz UJTJFRDGRMZCNG-JSGCOSHPSA-N 1 1 332.404 0.563 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1ncccn1)c1ccccc1 ZINC001267526991 837694675 /nfs/dbraw/zinc/69/46/75/837694675.db2.gz ZMYJQIWDIHHZDB-HNNXBMFYSA-N 1 1 337.383 0.287 20 30 ECEDMO CCCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267541394 837728327 /nfs/dbraw/zinc/72/83/27/837728327.db2.gz ZXRRVDFWJXLCHA-HNNXBMFYSA-N 1 1 334.420 0.822 20 30 ECEDMO C#CC[N@H+]1CC[C@H](CCNC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001267544464 837733822 /nfs/dbraw/zinc/73/38/22/837733822.db2.gz LTLDHNULWFGQNI-HNNXBMFYSA-N 1 1 332.448 0.836 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CCNC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001267544464 837733831 /nfs/dbraw/zinc/73/38/31/837733831.db2.gz LTLDHNULWFGQNI-HNNXBMFYSA-N 1 1 332.448 0.836 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccccn2)C1 ZINC001267549806 837749887 /nfs/dbraw/zinc/74/98/87/837749887.db2.gz JGZXFZYLQJYRJI-CABCVRRESA-N 1 1 328.416 0.661 20 30 ECEDMO O=C(C#CC1CC1)NCC[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267555982 837762210 /nfs/dbraw/zinc/76/22/10/837762210.db2.gz LOYDLSDSURXFCJ-CVEARBPZSA-N 1 1 338.473 0.663 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccnnc2C)C1 ZINC001267560724 837771402 /nfs/dbraw/zinc/77/14/02/837771402.db2.gz MCONAFRANZMNNY-LSDHHAIUSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cncc(CC)c2)C1 ZINC001267561892 837773402 /nfs/dbraw/zinc/77/34/02/837773402.db2.gz VOMLOFDPKCAGNT-INIZCTEOSA-N 1 1 342.443 0.835 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ocnc2CC)C1 ZINC001267565744 837783194 /nfs/dbraw/zinc/78/31/94/837783194.db2.gz UAWTUBDSEGFEFK-CYBMUJFWSA-N 1 1 334.420 0.981 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC001267568620 837791587 /nfs/dbraw/zinc/79/15/87/837791587.db2.gz VUFPTSVNWJUHFI-IRXDYDNUSA-N 1 1 349.475 0.723 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC001267568621 837791703 /nfs/dbraw/zinc/79/17/03/837791703.db2.gz VUFPTSVNWJUHFI-SJORKVTESA-N 1 1 349.475 0.723 20 30 ECEDMO Cc1nc(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(C)o1 ZINC001267569195 837794815 /nfs/dbraw/zinc/79/48/15/837794815.db2.gz QUYOJNHUYQHJBX-ZDUSSCGKSA-N 1 1 333.392 0.373 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)c2ccc3nncn3c2)CC1 ZINC001267576129 837829849 /nfs/dbraw/zinc/82/98/49/837829849.db2.gz RTRMJKMJQULBKS-UHFFFAOYSA-N 1 1 340.431 0.442 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267576666 837831371 /nfs/dbraw/zinc/83/13/71/837831371.db2.gz VNHVXTJVYFRQPW-AWEZNQCLSA-N 1 1 346.431 0.840 20 30 ECEDMO CCOCCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001266251490 835556814 /nfs/dbraw/zinc/55/68/14/835556814.db2.gz DGEXKQCCVGYNQK-JKSUJKDBSA-N 1 1 326.437 0.658 20 30 ECEDMO CCOCCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001266251490 835556818 /nfs/dbraw/zinc/55/68/18/835556818.db2.gz DGEXKQCCVGYNQK-JKSUJKDBSA-N 1 1 326.437 0.658 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)C[C@H]1CCCS(=O)(=O)C1 ZINC001266271626 835593898 /nfs/dbraw/zinc/59/38/98/835593898.db2.gz LSEBAKPPSDNWGD-HIFRSBDPSA-N 1 1 332.466 0.186 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)C[C@H]1CCCS(=O)(=O)C1 ZINC001266271626 835593903 /nfs/dbraw/zinc/59/39/03/835593903.db2.gz LSEBAKPPSDNWGD-HIFRSBDPSA-N 1 1 332.466 0.186 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2ncccc2OCC=C)CC1 ZINC001266296712 835644562 /nfs/dbraw/zinc/64/45/62/835644562.db2.gz DOQFXEUDZPUJDF-UHFFFAOYSA-N 1 1 328.416 0.627 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN2C(=O)CCC)CC1 ZINC001266297896 835649237 /nfs/dbraw/zinc/64/92/37/835649237.db2.gz WVYLLRANLZHDEY-QGZVFWFLSA-N 1 1 348.491 0.535 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001266320887 835693137 /nfs/dbraw/zinc/69/31/37/835693137.db2.gz IBGOHUPVPKWLAI-STQMWFEESA-N 1 1 331.420 0.324 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001266320887 835693141 /nfs/dbraw/zinc/69/31/41/835693141.db2.gz IBGOHUPVPKWLAI-STQMWFEESA-N 1 1 331.420 0.324 20 30 ECEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001266322785 835697147 /nfs/dbraw/zinc/69/71/47/835697147.db2.gz NWMGEJLAEAJOOE-OAHLLOKOSA-N 1 1 348.447 0.484 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001266330437 835711841 /nfs/dbraw/zinc/71/18/41/835711841.db2.gz DHCLACVQYDPJJA-TZMCWYRMSA-N 1 1 348.472 0.631 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001266330437 835711847 /nfs/dbraw/zinc/71/18/47/835711847.db2.gz DHCLACVQYDPJJA-TZMCWYRMSA-N 1 1 348.472 0.631 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001266356291 835760397 /nfs/dbraw/zinc/76/03/97/835760397.db2.gz SLYVTACDYXGTAV-CABCVRRESA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001266356291 835760408 /nfs/dbraw/zinc/76/04/08/835760408.db2.gz SLYVTACDYXGTAV-CABCVRRESA-N 1 1 335.448 0.522 20 30 ECEDMO C[N@H+](CCNC(=O)CC#Cc1ccccc1)[C@@H]1CCC(=O)NC1=O ZINC001266362400 835774343 /nfs/dbraw/zinc/77/43/43/835774343.db2.gz GZYNJLGCURIUTQ-OAHLLOKOSA-N 1 1 327.384 0.281 20 30 ECEDMO C[N@@H+](CCNC(=O)CC#Cc1ccccc1)[C@@H]1CCC(=O)NC1=O ZINC001266362400 835774352 /nfs/dbraw/zinc/77/43/52/835774352.db2.gz GZYNJLGCURIUTQ-OAHLLOKOSA-N 1 1 327.384 0.281 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](OC)c1ccc(F)cc1 ZINC001266365044 835776869 /nfs/dbraw/zinc/77/68/69/835776869.db2.gz KZTTYFBTYQWLAY-BBRMVZONSA-N 1 1 349.406 0.699 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H](OC)c1ccc(F)cc1 ZINC001266365044 835776872 /nfs/dbraw/zinc/77/68/72/835776872.db2.gz KZTTYFBTYQWLAY-BBRMVZONSA-N 1 1 349.406 0.699 20 30 ECEDMO CC[N@@H+](CCNC(=O)CSCC#N)[C@@H]1CCN(C2CCC2)C1=O ZINC001266378127 835789992 /nfs/dbraw/zinc/78/99/92/835789992.db2.gz QNQKBTBIOYJALJ-CQSZACIVSA-N 1 1 338.477 0.835 20 30 ECEDMO COc1ccc(C(=O)N[C@@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)o1 ZINC001266380701 835791946 /nfs/dbraw/zinc/79/19/46/835791946.db2.gz UWMUGESOPKXJMW-CYBMUJFWSA-N 1 1 346.387 0.512 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc(C2CC2)n(C)n1 ZINC001266394752 835803561 /nfs/dbraw/zinc/80/35/61/835803561.db2.gz YBBPZPQXMICTRT-UHFFFAOYSA-N 1 1 331.420 0.099 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc(C2CC2)n(C)n1 ZINC001266394752 835803568 /nfs/dbraw/zinc/80/35/68/835803568.db2.gz YBBPZPQXMICTRT-UHFFFAOYSA-N 1 1 331.420 0.099 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cccc(C(C)C)n1)CC(=O)NCC#N ZINC001266400401 835808309 /nfs/dbraw/zinc/80/83/09/835808309.db2.gz LLODBPGGHHKTBU-UHFFFAOYSA-N 1 1 331.420 0.896 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cccc(C(C)C)n1)CC(=O)NCC#N ZINC001266400401 835808315 /nfs/dbraw/zinc/80/83/15/835808315.db2.gz LLODBPGGHHKTBU-UHFFFAOYSA-N 1 1 331.420 0.896 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CC)C[C@@H](O)Cn2cccn2)c1 ZINC001266416351 835821658 /nfs/dbraw/zinc/82/16/58/835821658.db2.gz FQNHXOXVDSNKMP-QGZVFWFLSA-N 1 1 341.415 0.372 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CC)C[C@H](O)Cn2cccn2)c1 ZINC001266416350 835821768 /nfs/dbraw/zinc/82/17/68/835821768.db2.gz FQNHXOXVDSNKMP-KRWDZBQOSA-N 1 1 341.415 0.372 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001266422869 835826566 /nfs/dbraw/zinc/82/65/66/835826566.db2.gz SYMXDCXCFODNPC-GFCCVEGCSA-N 1 1 333.436 0.318 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001266422869 835826576 /nfs/dbraw/zinc/82/65/76/835826576.db2.gz SYMXDCXCFODNPC-GFCCVEGCSA-N 1 1 333.436 0.318 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)C(C)(C)NC(C)=O)C1=O ZINC001266422505 835826772 /nfs/dbraw/zinc/82/67/72/835826772.db2.gz FADCYFGXWYUXSG-CQSZACIVSA-N 1 1 338.452 0.126 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001266466796 835868902 /nfs/dbraw/zinc/86/89/02/835868902.db2.gz VUZLZZOPFXYHCC-ZACQAIPSSA-N 1 1 347.459 0.497 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(COC)CCOCC1 ZINC001266467971 835869067 /nfs/dbraw/zinc/86/90/67/835869067.db2.gz HENPTVHWPLFFTI-MRXNPFEDSA-N 1 1 338.448 0.660 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C1(COC)CCOCC1 ZINC001266467971 835869073 /nfs/dbraw/zinc/86/90/73/835869073.db2.gz HENPTVHWPLFFTI-MRXNPFEDSA-N 1 1 338.448 0.660 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2nccs2)C1 ZINC001266469663 835871586 /nfs/dbraw/zinc/87/15/86/835871586.db2.gz QDCHCODWIXXZBE-ZDUSSCGKSA-N 1 1 334.445 0.677 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnnc1C ZINC001266471492 835874007 /nfs/dbraw/zinc/87/40/07/835874007.db2.gz PZTPUKPFAFRLKX-UONOGXRCSA-N 1 1 331.420 0.670 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccnnc1C ZINC001266471492 835874011 /nfs/dbraw/zinc/87/40/11/835874011.db2.gz PZTPUKPFAFRLKX-UONOGXRCSA-N 1 1 331.420 0.670 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCN2CC(=O)NCC#N)C1 ZINC001266477689 835878697 /nfs/dbraw/zinc/87/86/97/835878697.db2.gz UAZAZVZEUTZYRN-JKSUJKDBSA-N 1 1 349.479 0.329 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc[nH]c1CCC ZINC001266477780 835879580 /nfs/dbraw/zinc/87/95/80/835879580.db2.gz VIBXFJXZPXPOCL-AWEZNQCLSA-N 1 1 330.432 0.911 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc[nH]c1CCC ZINC001266477780 835879585 /nfs/dbraw/zinc/87/95/85/835879585.db2.gz VIBXFJXZPXPOCL-AWEZNQCLSA-N 1 1 330.432 0.911 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001266485677 835885411 /nfs/dbraw/zinc/88/54/11/835885411.db2.gz HMIKQNNASGMTFF-KBPBESRZSA-N 1 1 329.466 0.164 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cccn1 ZINC001266489045 835889324 /nfs/dbraw/zinc/88/93/24/835889324.db2.gz VVPQCCXCYAKGHL-GJZGRUSLSA-N 1 1 331.420 0.164 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cccn1 ZINC001266489045 835889331 /nfs/dbraw/zinc/88/93/31/835889331.db2.gz VVPQCCXCYAKGHL-GJZGRUSLSA-N 1 1 331.420 0.164 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)COC2CCCCC2)C1 ZINC001266520185 835933341 /nfs/dbraw/zinc/93/33/41/835933341.db2.gz HPRDPRNXFMCSRL-JKSUJKDBSA-N 1 1 349.475 0.912 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC001266522834 835937824 /nfs/dbraw/zinc/93/78/24/835937824.db2.gz ZXPKKKIWNOKTDH-SUMWQHHRSA-N 1 1 333.436 0.632 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001266528822 835945571 /nfs/dbraw/zinc/94/55/71/835945571.db2.gz ZUYCHGGQLCSTIZ-CVEARBPZSA-N 1 1 344.459 0.613 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc(C)ccc2F)C1 ZINC001266537686 835956579 /nfs/dbraw/zinc/95/65/79/835956579.db2.gz QMQOHMMEIOMRIO-CQSZACIVSA-N 1 1 331.391 0.935 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)CNC(=O)Cc2ccccc2)C1 ZINC001266549589 835973844 /nfs/dbraw/zinc/97/38/44/835973844.db2.gz YOPQUTNIQVHAGV-QGZVFWFLSA-N 1 1 327.428 0.807 20 30 ECEDMO C=CCN1CC[C@H](N(CCC)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001266556495 835983540 /nfs/dbraw/zinc/98/35/40/835983540.db2.gz PGKIBGUOWRIEBD-CVEARBPZSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCN1CC[C@H](N(CCC)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001266556495 835983549 /nfs/dbraw/zinc/98/35/49/835983549.db2.gz PGKIBGUOWRIEBD-CVEARBPZSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[N@H+](CCC)Cc1cnn(C)c1 ZINC001266562544 835991884 /nfs/dbraw/zinc/99/18/84/835991884.db2.gz FYYFUZQBWKHEHG-KRWDZBQOSA-N 1 1 331.464 0.846 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001266566813 835995852 /nfs/dbraw/zinc/99/58/52/835995852.db2.gz MTGUMPBZJXTWDX-NEXGVSGLSA-N 1 1 347.459 0.376 20 30 ECEDMO CCC[N@H+](CCNC(=O)[C@H]1Cc2ccccc21)CC(=O)NCC#N ZINC001266568794 835998526 /nfs/dbraw/zinc/99/85/26/835998526.db2.gz SVDWSRYQTNTRGL-INIZCTEOSA-N 1 1 328.416 0.794 20 30 ECEDMO CCC[N@@H+](CCNC(=O)[C@H]1Cc2ccccc21)CC(=O)NCC#N ZINC001266568794 835998533 /nfs/dbraw/zinc/99/85/33/835998533.db2.gz SVDWSRYQTNTRGL-INIZCTEOSA-N 1 1 328.416 0.794 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1c[nH]nc1C(C)(C)C ZINC001266575709 836005601 /nfs/dbraw/zinc/00/56/01/836005601.db2.gz ZPJABDHDYNPUGD-UHFFFAOYSA-N 1 1 347.463 0.898 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1c[nH]nc1C(C)(C)C ZINC001266575709 836005609 /nfs/dbraw/zinc/00/56/09/836005609.db2.gz ZPJABDHDYNPUGD-UHFFFAOYSA-N 1 1 347.463 0.898 20 30 ECEDMO CC#CC[NH2+]CCOCCN(C)C(=O)c1n[nH]cc1Br ZINC001279450204 836020386 /nfs/dbraw/zinc/02/03/86/836020386.db2.gz ICKCFQASGJVKIC-UHFFFAOYSA-N 1 1 343.225 0.874 20 30 ECEDMO O=C(C#CC1CC1)NCC[N@H+](CCN1CCCS1(=O)=O)C1CC1 ZINC001266592479 836023026 /nfs/dbraw/zinc/02/30/26/836023026.db2.gz QUOSEKJKZURBDA-UHFFFAOYSA-N 1 1 339.461 0.016 20 30 ECEDMO O=C(C#CC1CC1)NCC[N@@H+](CCN1CCCS1(=O)=O)C1CC1 ZINC001266592479 836023039 /nfs/dbraw/zinc/02/30/39/836023039.db2.gz QUOSEKJKZURBDA-UHFFFAOYSA-N 1 1 339.461 0.016 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cnc(Cl)n1C)C1CC1 ZINC001266602333 836034577 /nfs/dbraw/zinc/03/45/77/836034577.db2.gz BLWFKGGTQBJEIN-UHFFFAOYSA-N 1 1 337.811 0.017 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cnc(Cl)n1C)C1CC1 ZINC001266602333 836034590 /nfs/dbraw/zinc/03/45/90/836034590.db2.gz BLWFKGGTQBJEIN-UHFFFAOYSA-N 1 1 337.811 0.017 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCOCC2)C1 ZINC001266656167 836091797 /nfs/dbraw/zinc/09/17/97/836091797.db2.gz PGTHJUMZYJEOJS-JKSUJKDBSA-N 1 1 348.447 0.366 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCOCC2)C1 ZINC001266656167 836091810 /nfs/dbraw/zinc/09/18/10/836091810.db2.gz PGTHJUMZYJEOJS-JKSUJKDBSA-N 1 1 348.447 0.366 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CNC(=O)OC)C1 ZINC001266655993 836091945 /nfs/dbraw/zinc/09/19/45/836091945.db2.gz LTIHXPMLMBCHFL-HUUCEWRRSA-N 1 1 339.436 0.858 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2csnn2)C1 ZINC001266658833 836095521 /nfs/dbraw/zinc/09/55/21/836095521.db2.gz IXHOLGQBKSLVCY-OCCSQVGLSA-N 1 1 349.460 0.767 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c(=O)cn2)C1 ZINC001266659146 836096513 /nfs/dbraw/zinc/09/65/13/836096513.db2.gz NCCUYWCIMPYDGW-ZBFHGGJFSA-N 1 1 344.415 0.346 20 30 ECEDMO C#CCCCCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001279480100 836151221 /nfs/dbraw/zinc/15/12/21/836151221.db2.gz ONBQQKARCLVNHL-YJBOKZPZSA-N 1 1 337.464 0.600 20 30 ECEDMO C#CCCCCC(=O)N[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001279480100 836151226 /nfs/dbraw/zinc/15/12/26/836151226.db2.gz ONBQQKARCLVNHL-YJBOKZPZSA-N 1 1 337.464 0.600 20 30 ECEDMO C#CCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CCCCC1 ZINC001266735528 836217373 /nfs/dbraw/zinc/21/73/73/836217373.db2.gz QFDQMDHBCKETNL-OKILXGFUSA-N 1 1 330.436 0.921 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cncnc2)C1 ZINC001266747181 836234964 /nfs/dbraw/zinc/23/49/64/836234964.db2.gz ORKUXCGXWUQNQO-KGLIPLIRSA-N 1 1 331.420 0.609 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001266749847 836239411 /nfs/dbraw/zinc/23/94/11/836239411.db2.gz MRCZJWGYVGZFRG-LSDHHAIUSA-N 1 1 347.463 0.861 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001266755293 836249292 /nfs/dbraw/zinc/24/92/92/836249292.db2.gz OTDRBDRXYGNXQK-KGLIPLIRSA-N 1 1 333.436 0.851 20 30 ECEDMO CCc1cc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)no1 ZINC001266767170 836274081 /nfs/dbraw/zinc/27/40/81/836274081.db2.gz LIHQKINOUOHODP-GFCCVEGCSA-N 1 1 333.392 0.319 20 30 ECEDMO CCc1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)no1 ZINC001266767170 836274091 /nfs/dbraw/zinc/27/40/91/836274091.db2.gz LIHQKINOUOHODP-GFCCVEGCSA-N 1 1 333.392 0.319 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001279518522 836346750 /nfs/dbraw/zinc/34/67/50/836346750.db2.gz KSRSLLLAJFHUMW-MAUKXSAKSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001266891633 836441285 /nfs/dbraw/zinc/44/12/85/836441285.db2.gz QCJAGCBVOFWGNC-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO Cc1ccncc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266893164 836442381 /nfs/dbraw/zinc/44/23/81/836442381.db2.gz QDCRWONCDQLBNS-LSDHHAIUSA-N 1 1 343.431 0.860 20 30 ECEDMO Cc1ccncc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266893164 836442388 /nfs/dbraw/zinc/44/23/88/836442388.db2.gz QDCRWONCDQLBNS-LSDHHAIUSA-N 1 1 343.431 0.860 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001266894298 836445025 /nfs/dbraw/zinc/44/50/25/836445025.db2.gz HWKMUWIKQQAISF-KGLIPLIRSA-N 1 1 334.420 0.329 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001266895443 836446726 /nfs/dbraw/zinc/44/67/26/836446726.db2.gz OGAMVRODXWLIOL-UONOGXRCSA-N 1 1 332.404 0.250 20 30 ECEDMO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001266903799 836459655 /nfs/dbraw/zinc/45/96/55/836459655.db2.gz XYQWEDPYGPCGTP-OCABDXPQSA-N 1 1 332.448 0.893 20 30 ECEDMO C#CCCOc1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)cc1 ZINC001266938444 836496769 /nfs/dbraw/zinc/49/67/69/836496769.db2.gz XONMIXCPCOMIPC-CYBMUJFWSA-N 1 1 342.403 0.520 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2cn(C)nn2)cc1 ZINC001266977319 836548963 /nfs/dbraw/zinc/54/89/63/836548963.db2.gz NKTJOJMZLOIUOZ-CYBMUJFWSA-N 1 1 327.388 0.735 20 30 ECEDMO C[C@@H]([NH2+][C@@H](C)CNC(=O)CC#Cc1ccccc1)c1nnnn1C ZINC001266996850 836582712 /nfs/dbraw/zinc/58/27/12/836582712.db2.gz JUFYBINRZYBTLO-UONOGXRCSA-N 1 1 326.404 0.807 20 30 ECEDMO C=C(Br)C[NH2+]CCN(C)C(=O)[C@H](C)CN1CCOCC1 ZINC001267081612 836728324 /nfs/dbraw/zinc/72/83/24/836728324.db2.gz PWSVVRSHOFKIDT-GFCCVEGCSA-N 1 1 348.285 0.911 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2ccn(C)n2)C1 ZINC001267105992 836786600 /nfs/dbraw/zinc/78/66/00/836786600.db2.gz NQARGUFPWQSUPB-HOCLYGCPSA-N 1 1 345.447 0.023 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)c2conc2C2CC2)C1 ZINC001267110338 836796206 /nfs/dbraw/zinc/79/62/06/836796206.db2.gz ABSCRPHTFQUBDX-CYBMUJFWSA-N 1 1 345.403 0.728 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)c2conc2C2CC2)C1 ZINC001267110338 836796213 /nfs/dbraw/zinc/79/62/13/836796213.db2.gz ABSCRPHTFQUBDX-CYBMUJFWSA-N 1 1 345.403 0.728 20 30 ECEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001267115803 836810056 /nfs/dbraw/zinc/81/00/56/836810056.db2.gz ZOFHCOAZCNDFQB-ZBFHGGJFSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001267175158 836914758 /nfs/dbraw/zinc/91/47/58/836914758.db2.gz PHHKRGNMNUYXJC-GJZGRUSLSA-N 1 1 329.448 0.914 20 30 ECEDMO C[N@@H+](CCNC(=O)c1ccc(C#N)[nH]1)Cc1cc(=O)n2nccc2[nH]1 ZINC001267192099 836954039 /nfs/dbraw/zinc/95/40/39/836954039.db2.gz HFWFTOQRCNHDBJ-UHFFFAOYSA-N 1 1 339.359 0.084 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC001267193423 836957208 /nfs/dbraw/zinc/95/72/08/836957208.db2.gz PMNLVYUJGCYPTP-SUMWQHHRSA-N 1 1 325.453 0.761 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC001267193423 836957222 /nfs/dbraw/zinc/95/72/22/836957222.db2.gz PMNLVYUJGCYPTP-SUMWQHHRSA-N 1 1 325.453 0.761 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001267203412 836980297 /nfs/dbraw/zinc/98/02/97/836980297.db2.gz GCDNTAJLLGWIHP-CYBMUJFWSA-N 1 1 349.435 0.657 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001267203412 836980306 /nfs/dbraw/zinc/98/03/06/836980306.db2.gz GCDNTAJLLGWIHP-CYBMUJFWSA-N 1 1 349.435 0.657 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN(C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267211709 837000637 /nfs/dbraw/zinc/00/06/37/837000637.db2.gz SEMLXGMGSQFLBV-INIZCTEOSA-N 1 1 338.496 0.943 20 30 ECEDMO Cn1ncc(CCC(=O)NCC[N@H+](C)CC#Cc2ccc(F)cc2)n1 ZINC001267217995 837008038 /nfs/dbraw/zinc/00/80/38/837008038.db2.gz VBSWUFAOCOPRCA-UHFFFAOYSA-N 1 1 343.406 0.987 20 30 ECEDMO Cn1ncc(CCC(=O)NCC[N@@H+](C)CC#Cc2ccc(F)cc2)n1 ZINC001267217995 837008054 /nfs/dbraw/zinc/00/80/54/837008054.db2.gz VBSWUFAOCOPRCA-UHFFFAOYSA-N 1 1 343.406 0.987 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001267225416 837024579 /nfs/dbraw/zinc/02/45/79/837024579.db2.gz VQHOLHOTXGPVQQ-CYBMUJFWSA-N 1 1 332.404 0.587 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001267225416 837024597 /nfs/dbraw/zinc/02/45/97/837024597.db2.gz VQHOLHOTXGPVQQ-CYBMUJFWSA-N 1 1 332.404 0.587 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@@H+](CC)CC(=O)N1CCCC[C@@H]1C ZINC001267241303 837049471 /nfs/dbraw/zinc/04/94/71/837049471.db2.gz RGXSZRKFXIMTHV-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@H+](CC)CC(=O)N1CCCC[C@@H]1C ZINC001267241303 837049480 /nfs/dbraw/zinc/04/94/80/837049480.db2.gz RGXSZRKFXIMTHV-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CC)CCNC(=O)c2ccn(CC)n2)C1=O ZINC001267251225 837070331 /nfs/dbraw/zinc/07/03/31/837070331.db2.gz YVHZIAVNZPXOFF-OAHLLOKOSA-N 1 1 333.436 0.742 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001267255338 837075341 /nfs/dbraw/zinc/07/53/41/837075341.db2.gz XPIZFJLPVCOSPK-ZIAGYGMSSA-N 1 1 338.452 0.126 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001267255338 837075347 /nfs/dbraw/zinc/07/53/47/837075347.db2.gz XPIZFJLPVCOSPK-ZIAGYGMSSA-N 1 1 338.452 0.126 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cnc(CC)s1 ZINC001267256955 837081040 /nfs/dbraw/zinc/08/10/40/837081040.db2.gz JNMFGUDUTQGNLO-LBPRGKRZSA-N 1 1 336.461 0.895 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cnc(CC)s1 ZINC001267256955 837081047 /nfs/dbraw/zinc/08/10/47/837081047.db2.gz JNMFGUDUTQGNLO-LBPRGKRZSA-N 1 1 336.461 0.895 20 30 ECEDMO CCn1nnc(C)c1C[N@@H+]1CCC[C@H]1CNC(=O)CSCC#N ZINC001267259417 837087738 /nfs/dbraw/zinc/08/77/38/837087738.db2.gz APWJZZUZSGLGRQ-ZDUSSCGKSA-N 1 1 336.465 0.944 20 30 ECEDMO CCn1nnc(C)c1C[N@H+]1CCC[C@H]1CNC(=O)CSCC#N ZINC001267259417 837087750 /nfs/dbraw/zinc/08/77/50/837087750.db2.gz APWJZZUZSGLGRQ-ZDUSSCGKSA-N 1 1 336.465 0.944 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CCC[N@@H+]1CCNS(C)(=O)=O ZINC001267266753 837104018 /nfs/dbraw/zinc/10/40/18/837104018.db2.gz IFQQYFLRTVHHTD-ZDUSSCGKSA-N 1 1 329.466 0.166 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CCC[N@H+]1CCNS(C)(=O)=O ZINC001267266753 837104022 /nfs/dbraw/zinc/10/40/22/837104022.db2.gz IFQQYFLRTVHHTD-ZDUSSCGKSA-N 1 1 329.466 0.166 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC001267267275 837105560 /nfs/dbraw/zinc/10/55/60/837105560.db2.gz NNDQEQFMLYVZBY-GOEBONIOSA-N 1 1 347.415 0.628 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC001267268212 837107019 /nfs/dbraw/zinc/10/70/19/837107019.db2.gz XWZCIRSWQDGNTM-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC001267268212 837107023 /nfs/dbraw/zinc/10/70/23/837107023.db2.gz XWZCIRSWQDGNTM-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCc1cccnc1 ZINC001267269947 837108842 /nfs/dbraw/zinc/10/88/42/837108842.db2.gz FIIPQFFURPHSMZ-INIZCTEOSA-N 1 1 328.416 0.344 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1cccnc1 ZINC001267269947 837108844 /nfs/dbraw/zinc/10/88/44/837108844.db2.gz FIIPQFFURPHSMZ-INIZCTEOSA-N 1 1 328.416 0.344 20 30 ECEDMO C=CCCCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001267273999 837116593 /nfs/dbraw/zinc/11/65/93/837116593.db2.gz JLRUMFPTFDVOMH-CQSZACIVSA-N 1 1 336.436 0.912 20 30 ECEDMO C=CCCCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001267273999 837116600 /nfs/dbraw/zinc/11/66/00/837116600.db2.gz JLRUMFPTFDVOMH-CQSZACIVSA-N 1 1 336.436 0.912 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001267274236 837117385 /nfs/dbraw/zinc/11/73/85/837117385.db2.gz MELYDFYXHSRBBI-CVEARBPZSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cncs1 ZINC001267276647 837120130 /nfs/dbraw/zinc/12/01/30/837120130.db2.gz SLKGMIIATLPVJN-ZIAGYGMSSA-N 1 1 348.472 0.794 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1cncs1 ZINC001267276647 837120133 /nfs/dbraw/zinc/12/01/33/837120133.db2.gz SLKGMIIATLPVJN-ZIAGYGMSSA-N 1 1 348.472 0.794 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)c1cnn(C)c1 ZINC001267276859 837122487 /nfs/dbraw/zinc/12/24/87/837122487.db2.gz QITNLUFFDRHJLY-GOEBONIOSA-N 1 1 345.447 0.244 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)c1cnn(C)c1 ZINC001267276859 837122490 /nfs/dbraw/zinc/12/24/90/837122490.db2.gz QITNLUFFDRHJLY-GOEBONIOSA-N 1 1 345.447 0.244 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001267280107 837126738 /nfs/dbraw/zinc/12/67/38/837126738.db2.gz RAUPVXYLOKZFNB-ZDUSSCGKSA-N 1 1 339.399 0.507 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001267280107 837126748 /nfs/dbraw/zinc/12/67/48/837126748.db2.gz RAUPVXYLOKZFNB-ZDUSSCGKSA-N 1 1 339.399 0.507 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cncnc1CC ZINC001267281619 837129145 /nfs/dbraw/zinc/12/91/45/837129145.db2.gz KQVQIPXXQKCEDV-KBPBESRZSA-N 1 1 343.431 0.371 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cncnc1CC ZINC001267281619 837129149 /nfs/dbraw/zinc/12/91/49/837129149.db2.gz KQVQIPXXQKCEDV-KBPBESRZSA-N 1 1 343.431 0.371 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001267285881 837136863 /nfs/dbraw/zinc/13/68/63/837136863.db2.gz QABWDRGYPCGWJZ-OLZOCXBDSA-N 1 1 347.419 0.467 20 30 ECEDMO CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001267292331 837143740 /nfs/dbraw/zinc/14/37/40/837143740.db2.gz AAPYSVBHUOWMLV-RDJZCZTQSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267299756 837162827 /nfs/dbraw/zinc/16/28/27/837162827.db2.gz ZQCDSKIQPKCQPY-HUUCEWRRSA-N 1 1 344.477 0.452 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](CNC(=O)c2cnc3cccnn32)C1 ZINC001267303577 837171076 /nfs/dbraw/zinc/17/10/76/837171076.db2.gz PAYHACDLBNKSKS-CQSZACIVSA-N 1 1 329.404 0.984 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001267303938 837171293 /nfs/dbraw/zinc/17/12/93/837171293.db2.gz UDTWVWPHZWMDCG-CABCVRRESA-N 1 1 348.451 0.266 20 30 ECEDMO Cc1ccccc1CC(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267305805 837174035 /nfs/dbraw/zinc/17/40/35/837174035.db2.gz NUQJRAZGMZCETP-OAHLLOKOSA-N 1 1 328.416 0.615 20 30 ECEDMO Cc1ccccc1CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267305805 837174039 /nfs/dbraw/zinc/17/40/39/837174039.db2.gz NUQJRAZGMZCETP-OAHLLOKOSA-N 1 1 328.416 0.615 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)c2cccnc2)C1 ZINC001267307414 837179904 /nfs/dbraw/zinc/17/99/04/837179904.db2.gz SDJMLUMIATVPEF-HUUCEWRRSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(CC)n(C)n2)C1 ZINC001267308503 837183593 /nfs/dbraw/zinc/18/35/93/837183593.db2.gz AEWMIECNEGSMRC-UONOGXRCSA-N 1 1 347.463 0.725 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001267312678 837188096 /nfs/dbraw/zinc/18/80/96/837188096.db2.gz KEPYRNFBDWIYDD-CYBMUJFWSA-N 1 1 331.376 0.133 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CCNS(C)(=O)=O)C2CC2)cc1 ZINC001267330895 837212403 /nfs/dbraw/zinc/21/24/03/837212403.db2.gz QTSGTQZTPBBQLA-UHFFFAOYSA-N 1 1 349.456 0.411 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CCNS(C)(=O)=O)C2CC2)cc1 ZINC001267330895 837212405 /nfs/dbraw/zinc/21/24/05/837212405.db2.gz QTSGTQZTPBBQLA-UHFFFAOYSA-N 1 1 349.456 0.411 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)c1ncc[nH]1)c1ccccc1 ZINC001267357615 837246347 /nfs/dbraw/zinc/24/63/47/837246347.db2.gz QEDOIUPZEZWCAF-UKRRQHHQSA-N 1 1 339.399 0.608 20 30 ECEDMO C[C@@H](CN(C)C(=O)CSCC#N)[NH2+]Cc1nnc2n1CCOC2 ZINC001283573638 837303065 /nfs/dbraw/zinc/30/30/65/837303065.db2.gz WRBAGDOTKWKGIK-NSHDSACASA-N 1 1 338.437 0.002 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001267417832 837383131 /nfs/dbraw/zinc/38/31/31/837383131.db2.gz OGKYBZGZASNQBV-BASYENTBSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCCC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(=O)NC2CC2)C1 ZINC001267578920 837837501 /nfs/dbraw/zinc/83/75/01/837837501.db2.gz ALRMRSPYAYHMKA-ZDUSSCGKSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](C[N@H+](C)C[C@H]2CCNC(=O)CC2)C1 ZINC001267582443 837847918 /nfs/dbraw/zinc/84/79/18/837847918.db2.gz ITAIVCWYBRICBW-SJORKVTESA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cc(CC)nn2C)C1 ZINC001267584173 837854970 /nfs/dbraw/zinc/85/49/70/837854970.db2.gz VPSONYZPASADBR-AWEZNQCLSA-N 1 1 345.447 0.174 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnc3n2CCC3)C1 ZINC001267584868 837857888 /nfs/dbraw/zinc/85/78/88/837857888.db2.gz KCPUADXNLQBDDQ-OAHLLOKOSA-N 1 1 330.432 0.873 20 30 ECEDMO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001267585870 837861428 /nfs/dbraw/zinc/86/14/28/837861428.db2.gz FGGFLEWOBIXNDK-MRXNPFEDSA-N 1 1 345.443 0.912 20 30 ECEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001267592278 837885924 /nfs/dbraw/zinc/88/59/24/837885924.db2.gz QUKMPGRCOQNDLD-ZDUSSCGKSA-N 1 1 329.404 0.911 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001267592737 837886505 /nfs/dbraw/zinc/88/65/05/837886505.db2.gz XLJFSOZGGJUFKX-KRWDZBQOSA-N 1 1 337.464 0.139 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)C[C@@H](O)COC)C2)nc1 ZINC001267592983 837887937 /nfs/dbraw/zinc/88/79/37/837887937.db2.gz AHDDZFIZZHMALG-JKSUJKDBSA-N 1 1 331.416 0.464 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001267602230 837925918 /nfs/dbraw/zinc/92/59/18/837925918.db2.gz XHKINYQWSGHNMJ-LBPRGKRZSA-N 1 1 342.827 0.461 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)Cc2cc(C)on2)CC1 ZINC001267606328 837945270 /nfs/dbraw/zinc/94/52/70/837945270.db2.gz VPZJGCWYVIQMTR-UHFFFAOYSA-N 1 1 348.447 0.251 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)C2(c3cccnc3)CC2)CC1 ZINC001267609160 837966672 /nfs/dbraw/zinc/96/66/72/837966672.db2.gz RBYNQVSDYDYODM-UHFFFAOYSA-N 1 1 326.444 0.822 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)CCCC(=O)NC(C)C)CC1 ZINC001267618345 838049759 /nfs/dbraw/zinc/04/97/59/838049759.db2.gz MWAJMJBQZAFKER-UHFFFAOYSA-N 1 1 336.480 0.391 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001267624484 838070639 /nfs/dbraw/zinc/07/06/39/838070639.db2.gz GEGYFEOKHVKBAF-AAEUAGOBSA-N 1 1 335.408 0.192 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001267624484 838070652 /nfs/dbraw/zinc/07/06/52/838070652.db2.gz GEGYFEOKHVKBAF-AAEUAGOBSA-N 1 1 335.408 0.192 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)C[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625528 838075259 /nfs/dbraw/zinc/07/52/59/838075259.db2.gz MJLVLTFSDZSWGF-QWHCGFSZSA-N 1 1 338.477 0.691 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001267631981 838091765 /nfs/dbraw/zinc/09/17/65/838091765.db2.gz GPFJXKFAWQPRPC-HNNXBMFYSA-N 1 1 345.447 0.733 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001267631981 838091773 /nfs/dbraw/zinc/09/17/73/838091773.db2.gz GPFJXKFAWQPRPC-HNNXBMFYSA-N 1 1 345.447 0.733 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N2CCCCC2)C1 ZINC001267646118 838132273 /nfs/dbraw/zinc/13/22/73/838132273.db2.gz LWAYYPBEUKEFRZ-IAGOWNOFSA-N 1 1 349.475 0.818 20 30 ECEDMO C=CCCCCC[NH+]1CC(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001267655487 838163643 /nfs/dbraw/zinc/16/36/43/838163643.db2.gz OQFFNTPUKXIUED-UHFFFAOYSA-N 1 1 344.423 0.854 20 30 ECEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001267665693 838189684 /nfs/dbraw/zinc/18/96/84/838189684.db2.gz KIEQIIAGYIQBHF-OAHLLOKOSA-N 1 1 343.493 0.768 20 30 ECEDMO CC(C)C#CC(=O)NCC1C[NH+](CCc2nnn(C(C)(C)C)n2)C1 ZINC001267680524 838237987 /nfs/dbraw/zinc/23/79/87/838237987.db2.gz OIYRZNSMYMJDAG-UHFFFAOYSA-N 1 1 332.452 0.678 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001267697118 838289907 /nfs/dbraw/zinc/28/99/07/838289907.db2.gz OVPVMCAVJNOLBU-UONOGXRCSA-N 1 1 333.436 0.423 20 30 ECEDMO COc1ccccc1C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267703733 838306768 /nfs/dbraw/zinc/30/67/68/838306768.db2.gz VHLFRZKTBQRGKH-AWEZNQCLSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCC1=O ZINC001267706421 838308514 /nfs/dbraw/zinc/30/85/14/838308514.db2.gz AZQASAVAOXDDBG-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCC1=O ZINC001267706421 838308520 /nfs/dbraw/zinc/30/85/20/838308520.db2.gz AZQASAVAOXDDBG-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267714012 838334816 /nfs/dbraw/zinc/33/48/16/838334816.db2.gz YGNKZMDRRFGKEL-IHRRRGAJSA-N 1 1 346.431 0.337 20 30 ECEDMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001267723979 838382058 /nfs/dbraw/zinc/38/20/58/838382058.db2.gz PWWSSWPHXJNYHK-INIZCTEOSA-N 1 1 349.456 0.168 20 30 ECEDMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267723979 838382064 /nfs/dbraw/zinc/38/20/64/838382064.db2.gz PWWSSWPHXJNYHK-INIZCTEOSA-N 1 1 349.456 0.168 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C[N@@H+](C)CCn2cncn2)CC1 ZINC001267724808 838391261 /nfs/dbraw/zinc/39/12/61/838391261.db2.gz NTCUMZVLHRQGQD-QGZVFWFLSA-N 1 1 335.452 0.776 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC001267731792 838422365 /nfs/dbraw/zinc/42/23/65/838422365.db2.gz SXUDJCQORGXYAM-OLZOCXBDSA-N 1 1 339.399 0.505 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC001267731792 838422367 /nfs/dbraw/zinc/42/23/67/838422367.db2.gz SXUDJCQORGXYAM-OLZOCXBDSA-N 1 1 339.399 0.505 20 30 ECEDMO CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267738753 838436539 /nfs/dbraw/zinc/43/65/39/838436539.db2.gz AOWWVYPNMWTWDI-TZMCWYRMSA-N 1 1 331.420 0.995 20 30 ECEDMO CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267738753 838436546 /nfs/dbraw/zinc/43/65/46/838436546.db2.gz AOWWVYPNMWTWDI-TZMCWYRMSA-N 1 1 331.420 0.995 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001267739896 838438433 /nfs/dbraw/zinc/43/84/33/838438433.db2.gz MDSBQRFJDDGBQY-QMCVQRASSA-N 1 1 347.459 0.187 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCn2ccccc2=O)C1 ZINC001267743342 838444485 /nfs/dbraw/zinc/44/44/85/838444485.db2.gz RFVMPZJVIPHMLO-HUUCEWRRSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCn2ccccc2=O)C1 ZINC001267743342 838444493 /nfs/dbraw/zinc/44/44/93/838444493.db2.gz RFVMPZJVIPHMLO-HUUCEWRRSA-N 1 1 346.431 0.120 20 30 ECEDMO Cn1ncc(CCC(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC001267749840 838468065 /nfs/dbraw/zinc/46/80/65/838468065.db2.gz VIBYEBZLLTYGNI-GOSISDBHSA-N 1 1 337.427 0.990 20 30 ECEDMO Cn1ncc(CCC(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001267749840 838468068 /nfs/dbraw/zinc/46/80/68/838468068.db2.gz VIBYEBZLLTYGNI-GOSISDBHSA-N 1 1 337.427 0.990 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001267751136 838471046 /nfs/dbraw/zinc/47/10/46/838471046.db2.gz XHIHDAAGVAVAHL-CQSZACIVSA-N 1 1 347.419 0.084 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001267751136 838471048 /nfs/dbraw/zinc/47/10/48/838471048.db2.gz XHIHDAAGVAVAHL-CQSZACIVSA-N 1 1 347.419 0.084 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC001267752872 838473679 /nfs/dbraw/zinc/47/36/79/838473679.db2.gz UVEVCKDLHJTJSF-MRXNPFEDSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)c2oncc2C)CC1 ZINC001267752462 838474642 /nfs/dbraw/zinc/47/46/42/838474642.db2.gz LIKOGWMAVWNKQA-CQSZACIVSA-N 1 1 346.431 0.905 20 30 ECEDMO C#CCC[N@H+](C)CC1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001267758917 838484523 /nfs/dbraw/zinc/48/45/23/838484523.db2.gz SLUIOPAISRLAIZ-UHFFFAOYSA-N 1 1 333.436 0.084 20 30 ECEDMO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267761092 838489060 /nfs/dbraw/zinc/48/90/60/838489060.db2.gz AVYHKZFBTDEVAT-JKSUJKDBSA-N 1 1 337.464 0.720 20 30 ECEDMO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267761092 838489064 /nfs/dbraw/zinc/48/90/64/838489064.db2.gz AVYHKZFBTDEVAT-JKSUJKDBSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCCCCCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267767050 838502164 /nfs/dbraw/zinc/50/21/64/838502164.db2.gz CGAAJKRNYHILKK-ZIAGYGMSSA-N 1 1 336.436 0.686 20 30 ECEDMO C#CCCCCCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267767050 838502167 /nfs/dbraw/zinc/50/21/67/838502167.db2.gz CGAAJKRNYHILKK-ZIAGYGMSSA-N 1 1 336.436 0.686 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001267767225 838503397 /nfs/dbraw/zinc/50/33/97/838503397.db2.gz NJLNVYSDGMRMJG-GDBMZVCRSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001267767225 838503401 /nfs/dbraw/zinc/50/34/01/838503401.db2.gz NJLNVYSDGMRMJG-GDBMZVCRSA-N 1 1 347.463 0.494 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N(C)C(=O)COc2ccc(C(N)=O)cc2)C1 ZINC001267776958 838541483 /nfs/dbraw/zinc/54/14/83/838541483.db2.gz HLYCBBBVUPGIOA-HNNXBMFYSA-N 1 1 329.400 0.720 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001267783469 838557332 /nfs/dbraw/zinc/55/73/32/838557332.db2.gz IXWYZKHWYDYOLY-WMLDXEAASA-N 1 1 325.453 0.761 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001267783469 838557334 /nfs/dbraw/zinc/55/73/34/838557334.db2.gz IXWYZKHWYDYOLY-WMLDXEAASA-N 1 1 325.453 0.761 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001267783472 838557455 /nfs/dbraw/zinc/55/74/55/838557455.db2.gz IXWYZKHWYDYOLY-YOEHRIQHSA-N 1 1 325.453 0.761 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001267783472 838557459 /nfs/dbraw/zinc/55/74/59/838557459.db2.gz IXWYZKHWYDYOLY-YOEHRIQHSA-N 1 1 325.453 0.761 20 30 ECEDMO C#CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001267784045 838559005 /nfs/dbraw/zinc/55/90/05/838559005.db2.gz NDHLIBGYAFZNBY-OAHLLOKOSA-N 1 1 348.447 0.655 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001267785500 838561474 /nfs/dbraw/zinc/56/14/74/838561474.db2.gz FFNRXRPYAFCIAF-CHWSQXEVSA-N 1 1 347.419 0.098 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001267785500 838561480 /nfs/dbraw/zinc/56/14/80/838561480.db2.gz FFNRXRPYAFCIAF-CHWSQXEVSA-N 1 1 347.419 0.098 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267787283 838563758 /nfs/dbraw/zinc/56/37/58/838563758.db2.gz ZJBFPCIFQPMRCQ-ZIAGYGMSSA-N 1 1 333.432 0.764 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267787283 838563765 /nfs/dbraw/zinc/56/37/65/838563765.db2.gz ZJBFPCIFQPMRCQ-ZIAGYGMSSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001267786881 838566691 /nfs/dbraw/zinc/56/66/91/838566691.db2.gz RAXMDFVUIISLAK-WBVHZDCISA-N 1 1 345.443 0.846 20 30 ECEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001267790715 838570079 /nfs/dbraw/zinc/57/00/79/838570079.db2.gz SEGXDZHHWXAWPL-AWEZNQCLSA-N 1 1 336.436 0.769 20 30 ECEDMO C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccn[nH]3)C2)nn1 ZINC001105200027 838758813 /nfs/dbraw/zinc/75/88/13/838758813.db2.gz UWTIVXVKMZAEBA-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)Cn2ccc(C)cc2=O)C1 ZINC001268024752 839015367 /nfs/dbraw/zinc/01/53/67/839015367.db2.gz CBDXLGLWOOYQRH-MRXNPFEDSA-N 1 1 333.432 0.940 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001268027514 839036495 /nfs/dbraw/zinc/03/64/95/839036495.db2.gz VPTJYUPGRDJXEJ-GJZGRUSLSA-N 1 1 348.451 0.409 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCOC1)CC2 ZINC001268043722 839196641 /nfs/dbraw/zinc/19/66/41/839196641.db2.gz NSDMHPDAAYTTTA-HZPDHXFCSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)Cn1ccnc1)CC2 ZINC001268048267 839220247 /nfs/dbraw/zinc/22/02/47/839220247.db2.gz POXFYUHMHNQJBX-HNNXBMFYSA-N 1 1 345.447 0.498 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N(CCNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001408907279 839287761 /nfs/dbraw/zinc/28/77/61/839287761.db2.gz SHJNPHHDDZLZGW-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000980997810 839300774 /nfs/dbraw/zinc/30/07/74/839300774.db2.gz FPKRQZDLYADJFR-NEPJUHHUSA-N 1 1 328.380 0.241 20 30 ECEDMO CN1CCN(CCC[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000174721739 529887556 /nfs/dbraw/zinc/88/75/56/529887556.db2.gz REIGPPDSLSZEBP-SFHVURJKSA-N 1 1 346.475 0.867 20 30 ECEDMO CN1CCN(CCC[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000174721739 529887557 /nfs/dbraw/zinc/88/75/57/529887557.db2.gz REIGPPDSLSZEBP-SFHVURJKSA-N 1 1 346.475 0.867 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3nccc3nc2C)C1 ZINC001077916025 781937666 /nfs/dbraw/zinc/93/76/66/781937666.db2.gz ZEUGDIYWJUZDMQ-HUUCEWRRSA-N 1 1 329.404 0.779 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(CC[N@H+]([C@H](C)C(=O)NC)C3)C2)c1 ZINC001041661214 781943114 /nfs/dbraw/zinc/94/31/14/781943114.db2.gz UTQGUHDSZNLGIN-KUHUBIRLSA-N 1 1 340.427 0.735 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000328997740 269693054 /nfs/dbraw/zinc/69/30/54/269693054.db2.gz UXNFTMSAKZHTCR-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000328997740 269693055 /nfs/dbraw/zinc/69/30/55/269693055.db2.gz UXNFTMSAKZHTCR-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO C[C@@](O)(CNC(=O)Nc1ccc(F)c(C#N)c1)C[NH+]1CCOCC1 ZINC000176091883 207673170 /nfs/dbraw/zinc/67/31/70/207673170.db2.gz HLSNUSNJSIVSDC-MRXNPFEDSA-N 1 1 336.367 0.902 20 30 ECEDMO COC(=O)[C@H]1CN(CCOc2ccc(C#N)cc2OC)CC[N@@H+](C)C1 ZINC000411903224 208162370 /nfs/dbraw/zinc/16/23/70/208162370.db2.gz JUEBRYURRMLSOO-OAHLLOKOSA-N 1 1 347.415 0.982 20 30 ECEDMO COC(=O)[C@@H]1CN(C)CC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000411903224 208162371 /nfs/dbraw/zinc/16/23/71/208162371.db2.gz JUEBRYURRMLSOO-OAHLLOKOSA-N 1 1 347.415 0.982 20 30 ECEDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000411903224 208162377 /nfs/dbraw/zinc/16/23/77/208162377.db2.gz JUEBRYURRMLSOO-OAHLLOKOSA-N 1 1 347.415 0.982 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000329918371 254622262 /nfs/dbraw/zinc/62/22/62/254622262.db2.gz REJJNUFWWKASHQ-CQSZACIVSA-N 1 1 346.497 0.252 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000441235680 254799492 /nfs/dbraw/zinc/79/94/92/254799492.db2.gz SOQTVDQNRQQITF-IUODEOHRSA-N 1 1 325.409 0.240 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC2)c1 ZINC000460004449 254812591 /nfs/dbraw/zinc/81/25/91/254812591.db2.gz JQHIDQSYEWYPNB-CQSZACIVSA-N 1 1 329.404 0.657 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CC1 ZINC000491043286 420609934 /nfs/dbraw/zinc/60/99/34/420609934.db2.gz AFEOLPMRBWBCCQ-OAHLLOKOSA-N 1 1 342.447 0.016 20 30 ECEDMO C[C@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000179543082 263156208 /nfs/dbraw/zinc/15/62/08/263156208.db2.gz YFCMNCFRVIFAIA-ZDUSSCGKSA-N 1 1 330.388 0.412 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000270484109 263245622 /nfs/dbraw/zinc/24/56/22/263245622.db2.gz IUBXAMLRHCPBPI-UHFFFAOYSA-N 1 1 349.391 0.942 20 30 ECEDMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)cc3C#N)[C@H]2C1 ZINC000284348569 264202044 /nfs/dbraw/zinc/20/20/44/264202044.db2.gz AITSSTAETPJGRB-KBPBESRZSA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)cc3C#N)[C@H]2C1 ZINC000284348569 264202047 /nfs/dbraw/zinc/20/20/47/264202047.db2.gz AITSSTAETPJGRB-KBPBESRZSA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)cc3C#N)[C@@H]2C1 ZINC000284348586 264202652 /nfs/dbraw/zinc/20/26/52/264202652.db2.gz AITSSTAETPJGRB-ZIAGYGMSSA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)cc3C#N)[C@@H]2C1 ZINC000284348586 264202655 /nfs/dbraw/zinc/20/26/55/264202655.db2.gz AITSSTAETPJGRB-ZIAGYGMSSA-N 1 1 339.392 0.791 20 30 ECEDMO N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCC[NH+]2CCC2)c1 ZINC000337524858 270006062 /nfs/dbraw/zinc/00/60/62/270006062.db2.gz ZKEGJWBTALKBGR-UHFFFAOYSA-N 1 1 338.314 0.920 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292094738 264765119 /nfs/dbraw/zinc/76/51/19/264765119.db2.gz FVGICAZBKBBFBU-FZMZJTMJSA-N 1 1 343.387 0.783 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292094738 264765122 /nfs/dbraw/zinc/76/51/22/264765122.db2.gz FVGICAZBKBBFBU-FZMZJTMJSA-N 1 1 343.387 0.783 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373855573 266147818 /nfs/dbraw/zinc/14/78/18/266147818.db2.gz PBLFFDDAWUIODT-AWEZNQCLSA-N 1 1 331.424 0.981 20 30 ECEDMO CC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000334127414 266155507 /nfs/dbraw/zinc/15/55/07/266155507.db2.gz QOCCASMTBRGSFB-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370740122 266166004 /nfs/dbraw/zinc/16/60/04/266166004.db2.gz RBAIUKUSSKFDRG-WCQYABFASA-N 1 1 331.376 0.641 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370740122 266166007 /nfs/dbraw/zinc/16/60/07/266166007.db2.gz RBAIUKUSSKFDRG-WCQYABFASA-N 1 1 331.376 0.641 20 30 ECEDMO C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)n1cnc(C#N)n1 ZINC000344463008 267132741 /nfs/dbraw/zinc/13/27/41/267132741.db2.gz PTAKHKNMJKAGJD-FRRDWIJNSA-N 1 1 334.424 0.715 20 30 ECEDMO C[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)n1cnc(C#N)n1 ZINC000344463008 267132744 /nfs/dbraw/zinc/13/27/44/267132744.db2.gz PTAKHKNMJKAGJD-FRRDWIJNSA-N 1 1 334.424 0.715 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C[NH+]1CCOCC1 ZINC000290686370 267159124 /nfs/dbraw/zinc/15/91/24/267159124.db2.gz FASZURQLPBHYRD-GFCCVEGCSA-N 1 1 348.378 0.720 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000337422283 267191376 /nfs/dbraw/zinc/19/13/76/267191376.db2.gz QJGQLWXXNWMAGC-CABCVRRESA-N 1 1 330.432 0.561 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2cncc(C#N)c2)CCCO1 ZINC000290107781 267231242 /nfs/dbraw/zinc/23/12/42/267231242.db2.gz JJKCMWFUONOROS-ZDUSSCGKSA-N 1 1 338.433 0.732 20 30 ECEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1Cl ZINC000366420792 268141348 /nfs/dbraw/zinc/14/13/48/268141348.db2.gz PWLHZLDPLCQYER-RYUDHWBXSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1Cl ZINC000366420792 268141349 /nfs/dbraw/zinc/14/13/49/268141349.db2.gz PWLHZLDPLCQYER-RYUDHWBXSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000336869814 268178263 /nfs/dbraw/zinc/17/82/63/268178263.db2.gz FCGXDQGLCJABOD-ZIAGYGMSSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000366498471 268178660 /nfs/dbraw/zinc/17/86/60/268178660.db2.gz ASJKKLXDOILXFG-DLBZAZTESA-N 1 1 331.416 0.704 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN([C@H]3CCOC3)CC2)cc1 ZINC000366498471 268178661 /nfs/dbraw/zinc/17/86/61/268178661.db2.gz ASJKKLXDOILXFG-DLBZAZTESA-N 1 1 331.416 0.704 20 30 ECEDMO N#Cc1cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)ccc1C(F)(F)F ZINC000528054575 268190744 /nfs/dbraw/zinc/19/07/44/268190744.db2.gz QLHKOMOUBVDAHQ-SNVBAGLBSA-N 1 1 349.334 0.844 20 30 ECEDMO N#Cc1ccc(CC(=O)N2CCC[C@H](C[N@@H+]3CC[C@@H](O)C3)C2)cn1 ZINC000529399832 268215176 /nfs/dbraw/zinc/21/51/76/268215176.db2.gz RAESMUBHXXUFRM-NVXWUHKLSA-N 1 1 328.416 0.801 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000528424199 268301119 /nfs/dbraw/zinc/30/11/19/268301119.db2.gz YFNFARJKQONKHZ-DLBZAZTESA-N 1 1 331.416 0.704 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001041716923 782044840 /nfs/dbraw/zinc/04/48/40/782044840.db2.gz HEDLJAWTWOFOGA-NHYWBVRUSA-N 1 1 340.811 0.261 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001041716923 782044852 /nfs/dbraw/zinc/04/48/52/782044852.db2.gz HEDLJAWTWOFOGA-NHYWBVRUSA-N 1 1 340.811 0.261 20 30 ECEDMO CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000330743783 437603109 /nfs/dbraw/zinc/60/31/09/437603109.db2.gz CQHYRFYPBLDYRV-LBPRGKRZSA-N 1 1 326.441 0.909 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000180655969 280134635 /nfs/dbraw/zinc/13/46/35/280134635.db2.gz IPOJJYCJJXGKNQ-CKIDTQIGSA-N 1 1 348.491 0.772 20 30 ECEDMO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000343625823 437608535 /nfs/dbraw/zinc/60/85/35/437608535.db2.gz LGGYNZAJSQIEAD-ILXRZTDVSA-N 1 1 348.472 0.912 20 30 ECEDMO CN1CCC[C@]2(CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)C1=O ZINC000372900927 290004090 /nfs/dbraw/zinc/00/40/90/290004090.db2.gz DMOYXIRAUIKZOE-QGZVFWFLSA-N 1 1 331.420 0.587 20 30 ECEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000336901226 297358173 /nfs/dbraw/zinc/35/81/73/297358173.db2.gz BVRNZDMMKGOJOF-QLFBSQMISA-N 1 1 344.481 0.413 20 30 ECEDMO C[C@@](O)(CNC(=O)CN1CCCCCC1=O)C[NH+]1CCOCC1 ZINC000329821140 297845169 /nfs/dbraw/zinc/84/51/69/297845169.db2.gz GRUUOGWNBXMKDD-MRXNPFEDSA-N 1 1 327.425 0.429 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000330372054 297955399 /nfs/dbraw/zinc/95/53/99/297955399.db2.gz JQSXFOKDXBSBGP-MGPQQGTHSA-N 1 1 346.497 0.800 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000069708624 435958570 /nfs/dbraw/zinc/95/85/70/435958570.db2.gz TVLAHCOGEUMCGI-KRWDZBQOSA-N 1 1 333.476 0.902 20 30 ECEDMO CN(C)C(=O)CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000026256334 436159519 /nfs/dbraw/zinc/15/95/19/436159519.db2.gz DBTOFAPCHHIKIF-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO C[C@H](C(=O)NC(N)=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961412 436194217 /nfs/dbraw/zinc/19/42/17/436194217.db2.gz DDPQWAHFAJWNQX-CYBMUJFWSA-N 1 1 329.404 0.649 20 30 ECEDMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961412 436194223 /nfs/dbraw/zinc/19/42/23/436194223.db2.gz DDPQWAHFAJWNQX-CYBMUJFWSA-N 1 1 329.404 0.649 20 30 ECEDMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961412 436194226 /nfs/dbraw/zinc/19/42/26/436194226.db2.gz DDPQWAHFAJWNQX-CYBMUJFWSA-N 1 1 329.404 0.649 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000076411101 436205378 /nfs/dbraw/zinc/20/53/78/436205378.db2.gz VJKFMWQZOKLNQL-UHFFFAOYSA-N 1 1 345.422 0.593 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000076669039 436213049 /nfs/dbraw/zinc/21/30/49/436213049.db2.gz QOUTYEKULJDWRB-UHFFFAOYSA-N 1 1 332.379 0.794 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000041106410 436269005 /nfs/dbraw/zinc/26/90/05/436269005.db2.gz PQAZMXXTWJRGAB-UHFFFAOYSA-N 1 1 336.436 0.723 20 30 ECEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000086446668 436394257 /nfs/dbraw/zinc/39/42/57/436394257.db2.gz DCLHZKVZYVHDNT-CYBMUJFWSA-N 1 1 332.408 0.726 20 30 ECEDMO CNC(=O)CCC[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000089264089 436407012 /nfs/dbraw/zinc/40/70/12/436407012.db2.gz RYNQYBMRUPRSDE-OAHLLOKOSA-N 1 1 337.468 0.137 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CC[N@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000091173073 436442728 /nfs/dbraw/zinc/44/27/28/436442728.db2.gz AZLQVMOIASUNFO-HUUCEWRRSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCS(=O)(=O)C1 ZINC000091212830 436444192 /nfs/dbraw/zinc/44/41/92/436444192.db2.gz VTPZIMCUNCPQTL-RBSFLKMASA-N 1 1 339.461 0.445 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000091227460 436445461 /nfs/dbraw/zinc/44/54/61/436445461.db2.gz OEFXDNIXMDOZPN-UMVBOHGHSA-N 1 1 339.461 0.444 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000091227460 436445465 /nfs/dbraw/zinc/44/54/65/436445465.db2.gz OEFXDNIXMDOZPN-UMVBOHGHSA-N 1 1 339.461 0.444 20 30 ECEDMO C#CCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000091218058 436445547 /nfs/dbraw/zinc/44/55/47/436445547.db2.gz YJKCEPGNDFMPMA-JSGCOSHPSA-N 1 1 327.450 0.301 20 30 ECEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000091866674 436463628 /nfs/dbraw/zinc/46/36/28/436463628.db2.gz RQEQMIMHPFWYEL-MRXNPFEDSA-N 1 1 341.415 0.179 20 30 ECEDMO CN(CCC#N)c1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000091866674 436463632 /nfs/dbraw/zinc/46/36/32/436463632.db2.gz RQEQMIMHPFWYEL-MRXNPFEDSA-N 1 1 341.415 0.179 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000089778597 436416786 /nfs/dbraw/zinc/41/67/86/436416786.db2.gz HIOPAMTWPJVBNK-HZPDHXFCSA-N 1 1 337.445 0.845 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089778597 436416789 /nfs/dbraw/zinc/41/67/89/436416789.db2.gz HIOPAMTWPJVBNK-HZPDHXFCSA-N 1 1 337.445 0.845 20 30 ECEDMO C[NH+]1CCN(C(=O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000093193698 436483654 /nfs/dbraw/zinc/48/36/54/436483654.db2.gz LGZMZJWRXUJBFW-SFHVURJKSA-N 1 1 341.459 0.643 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109751681 436625455 /nfs/dbraw/zinc/62/54/55/436625455.db2.gz INRMVWABHHHTAQ-HNNXBMFYSA-N 1 1 337.468 0.100 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@H](C#N)C2)CC1=O ZINC000106295351 436591399 /nfs/dbraw/zinc/59/13/99/436591399.db2.gz MCNNYKWQESLZQX-RBSFLKMASA-N 1 1 334.420 0.070 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(C#N)cn1 ZINC000107584570 436612731 /nfs/dbraw/zinc/61/27/31/436612731.db2.gz PIIJFDOIVAMTAE-HNNXBMFYSA-N 1 1 329.404 0.626 20 30 ECEDMO COCCCNC(=O)C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000063510773 436643711 /nfs/dbraw/zinc/64/37/11/436643711.db2.gz ZIPDXUSJJLIXQL-UHFFFAOYSA-N 1 1 332.404 0.971 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000064442970 436649129 /nfs/dbraw/zinc/64/91/29/436649129.db2.gz UNCNKXSOKFEQHJ-HUUCEWRRSA-N 1 1 331.416 0.329 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509003 436692643 /nfs/dbraw/zinc/69/26/43/436692643.db2.gz AIFPOCMHQJBZRV-UHFFFAOYSA-N 1 1 335.408 0.067 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000151209846 436698387 /nfs/dbraw/zinc/69/83/87/436698387.db2.gz JXVDWGBSUZDYBN-OAHLLOKOSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NC(=O)c2ccc(OC)cc2)CC1 ZINC000271986790 436700489 /nfs/dbraw/zinc/70/04/89/436700489.db2.gz CWDCOKDMGCBGHM-UHFFFAOYSA-N 1 1 329.400 0.593 20 30 ECEDMO N#C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000269434723 436666185 /nfs/dbraw/zinc/66/61/85/436666185.db2.gz MDINZIXWVVAZOF-QGZVFWFLSA-N 1 1 328.416 0.555 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000269735514 436668365 /nfs/dbraw/zinc/66/83/65/436668365.db2.gz XEXQNMPXFQFVEK-UHFFFAOYSA-N 1 1 338.367 0.849 20 30 ECEDMO C=CCNC(=O)CN1CC[N@H+](CC(=O)NCC=C)[C@@H]([C@@H](C)CC)C1 ZINC000269984343 436670326 /nfs/dbraw/zinc/67/03/26/436670326.db2.gz ZYSNDODBKLJDEU-JKSUJKDBSA-N 1 1 336.480 0.623 20 30 ECEDMO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)[C@@H]([C@@H](C)CC)C1 ZINC000269984343 436670327 /nfs/dbraw/zinc/67/03/27/436670327.db2.gz ZYSNDODBKLJDEU-JKSUJKDBSA-N 1 1 336.480 0.623 20 30 ECEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000194931815 436675213 /nfs/dbraw/zinc/67/52/13/436675213.db2.gz OUZWSBPQKDELPL-OKILXGFUSA-N 1 1 342.399 0.915 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cc(C)ccc2S(N)(=O)=O)CC1 ZINC000271328315 436681542 /nfs/dbraw/zinc/68/15/42/436681542.db2.gz VCBPFYDEFOUBSL-UHFFFAOYSA-N 1 1 335.429 0.424 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124055139 436746259 /nfs/dbraw/zinc/74/62/59/436746259.db2.gz YIKZZYPJZNTUJC-AWEZNQCLSA-N 1 1 340.468 0.677 20 30 ECEDMO C[C@]1(O)CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000245644141 436766875 /nfs/dbraw/zinc/76/68/75/436766875.db2.gz FFPPUJGEVGJXBQ-PBHICJAKSA-N 1 1 348.472 0.914 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000126450986 436788005 /nfs/dbraw/zinc/78/80/05/436788005.db2.gz OKJZJUHWIGJPPK-INIZCTEOSA-N 1 1 337.512 0.952 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126450986 436788007 /nfs/dbraw/zinc/78/80/07/436788007.db2.gz OKJZJUHWIGJPPK-INIZCTEOSA-N 1 1 337.512 0.952 20 30 ECEDMO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160074752 436868160 /nfs/dbraw/zinc/86/81/60/436868160.db2.gz WIFZURLTMLJZJD-AWEZNQCLSA-N 1 1 325.409 0.682 20 30 ECEDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160074752 436868165 /nfs/dbraw/zinc/86/81/65/436868165.db2.gz WIFZURLTMLJZJD-AWEZNQCLSA-N 1 1 325.409 0.682 20 30 ECEDMO Cc1cccc(S(=O)(=O)N(CCN(C)C)CC[NH+](C)C)c1C#N ZINC000157190596 436825031 /nfs/dbraw/zinc/82/50/31/436825031.db2.gz HWNDHMHLZZBEFY-UHFFFAOYSA-N 1 1 338.477 0.981 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000292887087 436833791 /nfs/dbraw/zinc/83/37/91/436833791.db2.gz URZJQCPHUWQBCY-AWEZNQCLSA-N 1 1 349.435 0.424 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135411994 436917336 /nfs/dbraw/zinc/91/73/36/436917336.db2.gz PRXCVCDRNJMDTI-AWEZNQCLSA-N 1 1 335.452 0.874 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262254656 436919380 /nfs/dbraw/zinc/91/93/80/436919380.db2.gz QLVWEIYDMHBLDT-SJORKVTESA-N 1 1 348.491 0.767 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000293534671 436886697 /nfs/dbraw/zinc/88/66/97/436886697.db2.gz PSYIZGFZOOUZTL-UHFFFAOYSA-N 1 1 347.390 0.488 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000293630054 436894873 /nfs/dbraw/zinc/89/48/73/436894873.db2.gz WUZWBQHFTVQEPK-UHFFFAOYSA-N 1 1 331.391 0.652 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000162613284 436909470 /nfs/dbraw/zinc/90/94/70/436909470.db2.gz ITCYBWNXZPLIKU-MSOLQXFVSA-N 1 1 342.443 0.830 20 30 ECEDMO C[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CC[NH+](C)CC1 ZINC000263721099 436982071 /nfs/dbraw/zinc/98/20/71/436982071.db2.gz WSRPWGMBHCFNET-OAHLLOKOSA-N 1 1 342.447 0.238 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000283649007 437031335 /nfs/dbraw/zinc/03/13/35/437031335.db2.gz SUSXRLFYQKGMTG-UHFFFAOYSA-N 1 1 349.431 0.675 20 30 ECEDMO COCCOC[C@@H](O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000296636881 436994245 /nfs/dbraw/zinc/99/42/45/436994245.db2.gz WCRLRBRTRUOXEB-AWEZNQCLSA-N 1 1 337.395 0.843 20 30 ECEDMO COCCOC[C@H](O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000296636885 436995007 /nfs/dbraw/zinc/99/50/07/436995007.db2.gz WCRLRBRTRUOXEB-CQSZACIVSA-N 1 1 337.395 0.843 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCC(=O)NCc1ccc(OC)cc1 ZINC000296873078 436997779 /nfs/dbraw/zinc/99/77/79/436997779.db2.gz LEVVJMBXXPBRHL-UHFFFAOYSA-N 1 1 346.431 0.566 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000296896591 436999044 /nfs/dbraw/zinc/99/90/44/436999044.db2.gz MQUHGHJZKICZRX-HZPDHXFCSA-N 1 1 347.463 0.830 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000297024615 437001863 /nfs/dbraw/zinc/00/18/63/437001863.db2.gz VLXLYAXRWXOEDO-UHFFFAOYSA-N 1 1 334.342 0.358 20 30 ECEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)CS(=O)(=O)CCOC)C(C)C ZINC000298485635 437039980 /nfs/dbraw/zinc/03/99/80/437039980.db2.gz FXUOHQQRCIPMCQ-HNNXBMFYSA-N 1 1 346.493 0.862 20 30 ECEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000284823828 437073884 /nfs/dbraw/zinc/07/38/84/437073884.db2.gz AROYPYYDAVOPQO-WBMJQRKESA-N 1 1 337.445 0.573 20 30 ECEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)CCCCC1 ZINC000358202904 303145405 /nfs/dbraw/zinc/14/54/05/303145405.db2.gz CGWJJBMLPGLENP-ZDUSSCGKSA-N 1 1 342.465 0.330 20 30 ECEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)CCCCC1 ZINC000358202904 303145407 /nfs/dbraw/zinc/14/54/07/303145407.db2.gz CGWJJBMLPGLENP-ZDUSSCGKSA-N 1 1 342.465 0.330 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000174867738 437089701 /nfs/dbraw/zinc/08/97/01/437089701.db2.gz MYADJSLQQLVALV-IAGOWNOFSA-N 1 1 328.416 0.554 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000174867738 437089704 /nfs/dbraw/zinc/08/97/04/437089704.db2.gz MYADJSLQQLVALV-IAGOWNOFSA-N 1 1 328.416 0.554 20 30 ECEDMO Cn1c(=O)c(C#N)c(N2CC([N@@H+](C)Cc3ccccc3)C2)n(C)c1=O ZINC000286410100 437091475 /nfs/dbraw/zinc/09/14/75/437091475.db2.gz QFLSURJRHDBAGG-UHFFFAOYSA-N 1 1 339.399 0.276 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000175243498 437100111 /nfs/dbraw/zinc/10/01/11/437100111.db2.gz SPRTXBZKEBIQKM-UHFFFAOYSA-N 1 1 332.404 0.890 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000286884214 437141674 /nfs/dbraw/zinc/14/16/74/437141674.db2.gz ILWARLHMKFWMMB-HNNXBMFYSA-N 1 1 348.447 0.199 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000331697125 437145694 /nfs/dbraw/zinc/14/56/94/437145694.db2.gz UYIOPWOLGDSOHA-WBMJQRKESA-N 1 1 349.435 0.446 20 30 ECEDMO N#C[C@@H]1COCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000175886002 437124239 /nfs/dbraw/zinc/12/42/39/437124239.db2.gz RLWCCRDBAUFMNR-QGZVFWFLSA-N 1 1 328.416 0.555 20 30 ECEDMO CN(CC(=O)Nc1ccc(C#N)cc1)C[C@H](O)C[NH+]1CCOCC1 ZINC000177356324 437180461 /nfs/dbraw/zinc/18/04/61/437180461.db2.gz XXEMMYCJFTXHBU-INIZCTEOSA-N 1 1 332.404 0.122 20 30 ECEDMO C[N@H+]1CCN(CCNS(=O)(=O)c2ccc(C#N)o2)CC1(C)C ZINC000287519525 437198793 /nfs/dbraw/zinc/19/87/93/437198793.db2.gz VJFYOUQQUWOGOJ-UHFFFAOYSA-N 1 1 326.422 0.456 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)C[C@H](O)C3)CC2)o1 ZINC000332271618 437210231 /nfs/dbraw/zinc/21/02/31/437210231.db2.gz FJBVXORXXCAKIE-OCCSQVGLSA-N 1 1 347.419 0.206 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3ccccc3C#N)CC2)[N@@H+](C)C1 ZINC000332413622 437220099 /nfs/dbraw/zinc/22/00/99/437220099.db2.gz KGHHZBVKIONJJR-RDJZCZTQSA-N 1 1 328.416 0.926 20 30 ECEDMO C[C@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC(=O)N1C ZINC000328640748 437243788 /nfs/dbraw/zinc/24/37/88/437243788.db2.gz FFQUFMLGIAAQJU-ZDUSSCGKSA-N 1 1 325.457 0.089 20 30 ECEDMO CNC(=O)c1ccn([C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000328647242 437245983 /nfs/dbraw/zinc/24/59/83/437245983.db2.gz TWAJAASRZBSSJV-KGLIPLIRSA-N 1 1 346.435 0.640 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000328718548 437256324 /nfs/dbraw/zinc/25/63/24/437256324.db2.gz PWJVIOHXBKSGKY-KBPBESRZSA-N 1 1 326.441 0.420 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000333106969 437258930 /nfs/dbraw/zinc/25/89/30/437258930.db2.gz DSERKBUWFSRLMP-UHFFFAOYSA-N 1 1 337.430 0.864 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000336912093 437308825 /nfs/dbraw/zinc/30/88/25/437308825.db2.gz JQKLCJJDUOIANQ-OKILXGFUSA-N 1 1 346.497 0.944 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000336912093 437308830 /nfs/dbraw/zinc/30/88/30/437308830.db2.gz JQKLCJJDUOIANQ-OKILXGFUSA-N 1 1 346.497 0.944 20 30 ECEDMO C[NH+](C)[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1cccs1 ZINC000336908937 437310033 /nfs/dbraw/zinc/31/00/33/437310033.db2.gz VXJKSDMHVGEFSH-NEPJUHHUSA-N 1 1 344.462 0.410 20 30 ECEDMO CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000329073552 437312647 /nfs/dbraw/zinc/31/26/47/437312647.db2.gz AXQUSNRYSHCBFV-UPJWGTAASA-N 1 1 338.412 0.120 20 30 ECEDMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000329089941 437317573 /nfs/dbraw/zinc/31/75/73/437317573.db2.gz ITGKRFTZFWXGBF-DGCLKSJQSA-N 1 1 347.419 0.939 20 30 ECEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000267302135 437317962 /nfs/dbraw/zinc/31/79/62/437317962.db2.gz KJBGIJSSEHPBIZ-STQMWFEESA-N 1 1 337.445 0.855 20 30 ECEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000267302135 437317965 /nfs/dbraw/zinc/31/79/65/437317965.db2.gz KJBGIJSSEHPBIZ-STQMWFEESA-N 1 1 337.445 0.855 20 30 ECEDMO CNS(=O)(=O)N1CCC(C(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000329110868 437318093 /nfs/dbraw/zinc/31/80/93/437318093.db2.gz QOHQRLZHEPBAIF-UHFFFAOYSA-N 1 1 330.454 0.381 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000328967129 437295293 /nfs/dbraw/zinc/29/52/93/437295293.db2.gz NGLNDEADWIACMC-CABCVRRESA-N 1 1 345.399 0.877 20 30 ECEDMO C[C@@H]1C[N@H+](CCCCNc2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H](C)O1 ZINC000267904126 437340613 /nfs/dbraw/zinc/34/06/13/437340613.db2.gz CSSDWXFWFLOYHK-BETUJISGSA-N 1 1 349.435 0.257 20 30 ECEDMO Cn1c2ncn(CC[N@H+](CCC#N)CC3CC3)c2c(=O)n(C)c1=O ZINC000182391309 437348599 /nfs/dbraw/zinc/34/85/99/437348599.db2.gz SVKAYUFXDCGSAB-UHFFFAOYSA-N 1 1 330.392 0.059 20 30 ECEDMO Cn1c2ncn(CC[N@@H+](CCC#N)CC3CC3)c2c(=O)n(C)c1=O ZINC000182391309 437348604 /nfs/dbraw/zinc/34/86/04/437348604.db2.gz SVKAYUFXDCGSAB-UHFFFAOYSA-N 1 1 330.392 0.059 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CON=C(N)c2cccnc2)C1 ZINC000267433656 437328456 /nfs/dbraw/zinc/32/84/56/437328456.db2.gz OIKYTAFXMBFCSR-OAHLLOKOSA-N 1 1 349.435 0.192 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000182096834 437338105 /nfs/dbraw/zinc/33/81/05/437338105.db2.gz ULTRKAUJQCFYGN-PBHICJAKSA-N 1 1 338.452 0.610 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000182096834 437338107 /nfs/dbraw/zinc/33/81/07/437338107.db2.gz ULTRKAUJQCFYGN-PBHICJAKSA-N 1 1 338.452 0.610 20 30 ECEDMO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 ZINC000329690129 437402569 /nfs/dbraw/zinc/40/25/69/437402569.db2.gz BLTITGXIGVLHMK-MJBXVCDLSA-N 1 1 329.466 0.751 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 ZINC000329690129 437402572 /nfs/dbraw/zinc/40/25/72/437402572.db2.gz BLTITGXIGVLHMK-MJBXVCDLSA-N 1 1 329.466 0.751 20 30 ECEDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000329710260 437404076 /nfs/dbraw/zinc/40/40/76/437404076.db2.gz NPAJZDXCJMPTMQ-HZSPNIEDSA-N 1 1 329.466 0.894 20 30 ECEDMO C[C@](O)(CNC(=O)NCC#Cc1cccc(F)c1)C[NH+]1CCOCC1 ZINC000338730732 437415840 /nfs/dbraw/zinc/41/58/40/437415840.db2.gz TYZCPQLSXFMIFO-SFHVURJKSA-N 1 1 349.406 0.560 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000329818050 437418104 /nfs/dbraw/zinc/41/81/04/437418104.db2.gz FPGWMDFSINIPPC-MFKMUULPSA-N 1 1 330.454 0.341 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000329856193 437422530 /nfs/dbraw/zinc/42/25/30/437422530.db2.gz XYTMZPQKDPDHFN-RNCFNFMXSA-N 1 1 343.387 0.821 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)C(C)(C)N2CCOCC2)CC1 ZINC000329912850 437430592 /nfs/dbraw/zinc/43/05/92/437430592.db2.gz WYRNHUCNISOHHQ-UHFFFAOYSA-N 1 1 326.441 0.218 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000268213136 437382119 /nfs/dbraw/zinc/38/21/19/437382119.db2.gz OZXJRHJWMGPMIW-BLLLJJGKSA-N 1 1 326.400 0.887 20 30 ECEDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC#Cc1cccc(F)c1 ZINC000338039785 437386593 /nfs/dbraw/zinc/38/65/93/437386593.db2.gz LOCDRNOUTQFKJY-INIZCTEOSA-N 1 1 346.406 0.816 20 30 ECEDMO COc1cc(N2CCN(C(=O)NC[C@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000329599085 437389708 /nfs/dbraw/zinc/38/97/08/437389708.db2.gz JQPZFYPDHJQFGO-CYBMUJFWSA-N 1 1 334.424 0.615 20 30 ECEDMO C[N@@H+]1C[C@H]2CN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC000279274229 437390052 /nfs/dbraw/zinc/39/00/52/437390052.db2.gz ZNTBULHBJCTTQI-IYBDPMFKSA-N 1 1 347.440 0.493 20 30 ECEDMO O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000330232678 437472829 /nfs/dbraw/zinc/47/28/29/437472829.db2.gz FPQGOQITQJTTBU-RYUDHWBXSA-N 1 1 348.369 0.744 20 30 ECEDMO C[C@@H]1CCS(=O)(=O)CCN1C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329970415 437438835 /nfs/dbraw/zinc/43/88/35/437438835.db2.gz XEMYOFLBNPMGNL-OLZOCXBDSA-N 1 1 340.449 0.869 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@]2(CCOC2)O1 ZINC000329982544 437442189 /nfs/dbraw/zinc/44/21/89/437442189.db2.gz AJURPSSCNIYVQO-FMKPAKJESA-N 1 1 326.441 0.026 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H](N3CCCC3=O)C2)n1C ZINC000330053436 437449120 /nfs/dbraw/zinc/44/91/20/437449120.db2.gz QKQSSYPFRMSVNW-GFCCVEGCSA-N 1 1 334.424 0.597 20 30 ECEDMO Cc1sc(=O)n(CC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1C ZINC000330117755 437457182 /nfs/dbraw/zinc/45/71/82/437457182.db2.gz XLBPVEKMKBKFPM-HNNXBMFYSA-N 1 1 343.449 0.566 20 30 ECEDMO C=CCNC(=O)NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339666309 437487662 /nfs/dbraw/zinc/48/76/62/437487662.db2.gz UWGJCUPGIGNMBN-YIONKMFJSA-N 1 1 338.452 0.572 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000186123932 437460818 /nfs/dbraw/zinc/46/08/18/437460818.db2.gz PFQCGAZNKVTOJR-AWEZNQCLSA-N 1 1 348.428 0.143 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000339398862 437463452 /nfs/dbraw/zinc/46/34/52/437463452.db2.gz DVXGWDOUCUCYMP-FZKCQIBNSA-N 1 1 335.448 0.779 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339416501 437464633 /nfs/dbraw/zinc/46/46/33/437464633.db2.gz GHPDAUMJZPDNOM-KMFMINBZSA-N 1 1 348.451 0.850 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339416501 437464637 /nfs/dbraw/zinc/46/46/37/437464637.db2.gz GHPDAUMJZPDNOM-KMFMINBZSA-N 1 1 348.451 0.850 20 30 ECEDMO COCCCCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000330390926 437499861 /nfs/dbraw/zinc/49/98/61/437499861.db2.gz ZLCAUGJCTGHVET-UHFFFAOYSA-N 1 1 340.468 0.813 20 30 ECEDMO C[C@](O)(CNC(=O)C1(c2ccc(C#N)cc2)CC1)C[NH+]1CCOCC1 ZINC000187750796 437510419 /nfs/dbraw/zinc/51/04/19/437510419.db2.gz GVVDJSCEPLPVKS-SFHVURJKSA-N 1 1 343.427 0.789 20 30 ECEDMO C[C@@](O)(CNC(=O)C1(c2ccc(C#N)cc2)CC1)C[NH+]1CCOCC1 ZINC000187750778 437511762 /nfs/dbraw/zinc/51/17/62/437511762.db2.gz GVVDJSCEPLPVKS-GOSISDBHSA-N 1 1 343.427 0.789 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000343158347 437520550 /nfs/dbraw/zinc/52/05/50/437520550.db2.gz QNSWEPQDKLNZDU-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343158350 437520884 /nfs/dbraw/zinc/52/08/84/437520884.db2.gz QNSWEPQDKLNZDU-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000343165204 437524234 /nfs/dbraw/zinc/52/42/34/437524234.db2.gz OEUABUKWFSWLOF-HUUCEWRRSA-N 1 1 325.453 0.932 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000354108845 437532598 /nfs/dbraw/zinc/53/25/98/437532598.db2.gz XPYNCEIDTQSPBW-UHFFFAOYSA-N 1 1 346.406 0.862 20 30 ECEDMO Cn1cc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000360198802 437553095 /nfs/dbraw/zinc/55/30/95/437553095.db2.gz IUMIPSZABFVDHG-HNNXBMFYSA-N 1 1 345.428 0.822 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000360198802 437553097 /nfs/dbraw/zinc/55/30/97/437553097.db2.gz IUMIPSZABFVDHG-HNNXBMFYSA-N 1 1 345.428 0.822 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)CC1 ZINC000330578193 437558496 /nfs/dbraw/zinc/55/84/96/437558496.db2.gz SBQRPZQNMDBBAW-KFWWJZLASA-N 1 1 335.452 0.782 20 30 ECEDMO CC#CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000190529466 437628810 /nfs/dbraw/zinc/62/88/10/437628810.db2.gz LRSCAJVPVSOLEH-UHFFFAOYSA-N 1 1 342.399 0.152 20 30 ECEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCCN1C(=O)CNC1=O ZINC000330904079 437645421 /nfs/dbraw/zinc/64/54/21/437645421.db2.gz YTNRZVHDUIHDIB-LBPRGKRZSA-N 1 1 325.413 0.319 20 30 ECEDMO C#CCNC(=O)C1CC[NH+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000361144199 437657262 /nfs/dbraw/zinc/65/72/62/437657262.db2.gz MWUJAYFZILWQIV-MRXNPFEDSA-N 1 1 343.431 0.377 20 30 ECEDMO COC(=O)[C@@H]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000331021764 437672186 /nfs/dbraw/zinc/67/21/86/437672186.db2.gz PPXNSDSDBHQZBP-RRFJBIMHSA-N 1 1 341.452 1.000 20 30 ECEDMO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000355149192 437679860 /nfs/dbraw/zinc/67/98/60/437679860.db2.gz PKZFWSCWOCEQNL-HNNXBMFYSA-N 1 1 326.400 0.870 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)no1 ZINC000355292852 437695957 /nfs/dbraw/zinc/69/59/57/437695957.db2.gz CCWGSRZBNQAJNC-UHFFFAOYSA-N 1 1 340.387 0.965 20 30 ECEDMO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000331154770 437703049 /nfs/dbraw/zinc/70/30/49/437703049.db2.gz KCLPMWRYZXAFMS-HOCLYGCPSA-N 1 1 348.447 0.936 20 30 ECEDMO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000331154770 437703051 /nfs/dbraw/zinc/70/30/51/437703051.db2.gz KCLPMWRYZXAFMS-HOCLYGCPSA-N 1 1 348.447 0.936 20 30 ECEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CC(=O)NC)CC2)C1 ZINC000331164133 437703645 /nfs/dbraw/zinc/70/36/45/437703645.db2.gz XSXOZBJOZLPDKN-AWEZNQCLSA-N 1 1 339.484 0.384 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](CO)[C@H](C)C3)CC2)o1 ZINC000362071799 437713849 /nfs/dbraw/zinc/71/38/49/437713849.db2.gz ZPRFOGOFFFBGTO-TZMCWYRMSA-N 1 1 347.419 0.064 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000363092202 437767617 /nfs/dbraw/zinc/76/76/17/437767617.db2.gz PMXLZYMCVPCGNB-CQSZACIVSA-N 1 1 346.431 0.407 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)C1CC1 ZINC000363185430 437773128 /nfs/dbraw/zinc/77/31/28/437773128.db2.gz ZKGFABZCTZYMCI-KDOFPFPSSA-N 1 1 348.447 0.366 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000340755345 437723306 /nfs/dbraw/zinc/72/33/06/437723306.db2.gz IEVUNRLVVUDATA-STQMWFEESA-N 1 1 327.450 0.985 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000344090888 437730007 /nfs/dbraw/zinc/73/00/07/437730007.db2.gz JMENRDKPBHZTSX-ZDUSSCGKSA-N 1 1 331.482 0.671 20 30 ECEDMO C[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC[N@H+]1CC(C)(C)O ZINC000331305486 437737460 /nfs/dbraw/zinc/73/74/60/437737460.db2.gz UYBOTIIGHLPPEI-ZDUSSCGKSA-N 1 1 331.420 0.669 20 30 ECEDMO N#CCCn1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1 ZINC000362710748 437751871 /nfs/dbraw/zinc/75/18/71/437751871.db2.gz LIIAMTIBXVMURU-KBPBESRZSA-N 1 1 332.408 1.172 20 30 ECEDMO N#CCCn1ccc(NC(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)n1 ZINC000362710748 437751873 /nfs/dbraw/zinc/75/18/73/437751873.db2.gz LIIAMTIBXVMURU-KBPBESRZSA-N 1 1 332.408 1.172 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)CC1 ZINC000362920718 437761663 /nfs/dbraw/zinc/76/16/63/437761663.db2.gz RGESNUCLOZUAGI-OAHLLOKOSA-N 1 1 335.448 0.427 20 30 ECEDMO CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1O ZINC000341012009 437775916 /nfs/dbraw/zinc/77/59/16/437775916.db2.gz OITJYJXOQMMORC-DZGCQCFKSA-N 1 1 347.419 0.206 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000345199600 437783898 /nfs/dbraw/zinc/78/38/98/437783898.db2.gz FDMLCIFNEABNIS-AWEZNQCLSA-N 1 1 331.424 0.713 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000363517435 437794791 /nfs/dbraw/zinc/79/47/91/437794791.db2.gz IMMXZYTVOKIZHA-UHFFFAOYSA-N 1 1 335.383 0.745 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000363517435 437794793 /nfs/dbraw/zinc/79/47/93/437794793.db2.gz IMMXZYTVOKIZHA-UHFFFAOYSA-N 1 1 335.383 0.745 20 30 ECEDMO N#CC1(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)CCOCC1 ZINC000370799200 437841533 /nfs/dbraw/zinc/84/15/33/437841533.db2.gz BACTVKASELDXHM-UHFFFAOYSA-N 1 1 348.447 0.510 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370896890 437855287 /nfs/dbraw/zinc/85/52/87/437855287.db2.gz DCQFXWZBWQILIW-UONOGXRCSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370896890 437855293 /nfs/dbraw/zinc/85/52/93/437855293.db2.gz DCQFXWZBWQILIW-UONOGXRCSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000341697149 437888396 /nfs/dbraw/zinc/88/83/96/437888396.db2.gz WYCATQKOHKVYCM-JKSUJKDBSA-N 1 1 326.485 0.742 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000341838979 437909154 /nfs/dbraw/zinc/90/91/54/437909154.db2.gz IYXIQTJZVIBXLW-HOTGVXAUSA-N 1 1 326.485 0.744 20 30 ECEDMO Cn1ccnc(N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)c1=O ZINC000342093704 437966478 /nfs/dbraw/zinc/96/64/78/437966478.db2.gz DXPJKWUXPQTESD-UHFFFAOYSA-N 1 1 339.399 0.853 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C1CCN(c2ncccn2)CC1 ZINC000365822608 437978049 /nfs/dbraw/zinc/97/80/49/437978049.db2.gz GMPNAROBQGZCEG-UHFFFAOYSA-N 1 1 332.408 0.389 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)C1 ZINC000372120061 438036567 /nfs/dbraw/zinc/03/65/67/438036567.db2.gz KCBLVMSBMKOWQA-OAHLLOKOSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)C1 ZINC000372120061 438036572 /nfs/dbraw/zinc/03/65/72/438036572.db2.gz KCBLVMSBMKOWQA-OAHLLOKOSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCSCCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000417343640 438041880 /nfs/dbraw/zinc/04/18/80/438041880.db2.gz OQQAUSKKBFNROS-ZDUSSCGKSA-N 1 1 326.466 0.511 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000425879570 438047520 /nfs/dbraw/zinc/04/75/20/438047520.db2.gz IZYOANADLYOJPC-UGUYLWEFSA-N 1 1 337.464 0.930 20 30 ECEDMO C=CCOCCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000348033850 438007327 /nfs/dbraw/zinc/00/73/27/438007327.db2.gz NBAOADDSDXCJMT-HNNXBMFYSA-N 1 1 332.466 0.706 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000430391715 438111158 /nfs/dbraw/zinc/11/11/58/438111158.db2.gz HGDQBJGJJGXHNK-XHSDSOJGSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000348947550 438118050 /nfs/dbraw/zinc/11/80/50/438118050.db2.gz JKKISPSIUVISBE-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000358019147 438125306 /nfs/dbraw/zinc/12/53/06/438125306.db2.gz RWPVFJDHWSNCOO-CQSZACIVSA-N 1 1 338.452 0.115 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nn1CCC#N ZINC000349283196 438145704 /nfs/dbraw/zinc/14/57/04/438145704.db2.gz OYXOHDVWGYZENM-DGCLKSJQSA-N 1 1 344.419 0.785 20 30 ECEDMO C[C@]1(C(N)=O)CCCCN1CC#CC[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000367464996 438211774 /nfs/dbraw/zinc/21/17/74/438211774.db2.gz XCUYRJFRJQDHSV-QZTJIDSGSA-N 1 1 334.464 0.450 20 30 ECEDMO C[C@]1(C(N)=O)CCCCN1CC#CC[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000367464996 438211777 /nfs/dbraw/zinc/21/17/77/438211777.db2.gz XCUYRJFRJQDHSV-QZTJIDSGSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(Nc2nccc(OC)n2)CC1 ZINC000375706244 438261086 /nfs/dbraw/zinc/26/10/86/438261086.db2.gz TUWAALFHOSAASJ-UHFFFAOYSA-N 1 1 348.407 0.373 20 30 ECEDMO C=CCN(CCOC)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000358918536 438328876 /nfs/dbraw/zinc/32/88/76/438328876.db2.gz WNQMCTCOKZJVEF-AWEZNQCLSA-N 1 1 326.441 0.418 20 30 ECEDMO C#CCCS(=O)(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000377290899 438307817 /nfs/dbraw/zinc/30/78/17/438307817.db2.gz WZYHTJOQHGVLKE-KRWDZBQOSA-N 1 1 336.457 0.908 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC ZINC000377560315 438311037 /nfs/dbraw/zinc/31/10/37/438311037.db2.gz PYFMVNLURDNKAQ-UONOGXRCSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000377575450 438312703 /nfs/dbraw/zinc/31/27/03/438312703.db2.gz PAGBGXWLZIWHEF-IAGOWNOFSA-N 1 1 336.480 0.877 20 30 ECEDMO CCCn1nc2c(cc1=O)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000368657014 438360074 /nfs/dbraw/zinc/36/00/74/438360074.db2.gz CWWQRXNXLCTYGA-CYBMUJFWSA-N 1 1 331.420 0.772 20 30 ECEDMO CCCn1nc2c(cc1=O)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000368657014 438360079 /nfs/dbraw/zinc/36/00/79/438360079.db2.gz CWWQRXNXLCTYGA-CYBMUJFWSA-N 1 1 331.420 0.772 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2cc(C(=O)OC)ccn2)CC1 ZINC000368773020 438377636 /nfs/dbraw/zinc/37/76/36/438377636.db2.gz QVLLDZMAVPOTSC-CQSZACIVSA-N 1 1 344.415 0.518 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(c2cc(C(=O)OC)ccn2)CC1 ZINC000368773020 438377640 /nfs/dbraw/zinc/37/76/40/438377640.db2.gz QVLLDZMAVPOTSC-CQSZACIVSA-N 1 1 344.415 0.518 20 30 ECEDMO CCN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000440592972 438557907 /nfs/dbraw/zinc/55/79/07/438557907.db2.gz DHYHVCVJSDUKEJ-OAHLLOKOSA-N 1 1 336.436 0.462 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000452110443 438642594 /nfs/dbraw/zinc/64/25/94/438642594.db2.gz ZBYJJHPTXSUVQX-HOTGVXAUSA-N 1 1 334.416 0.731 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000452110443 438642597 /nfs/dbraw/zinc/64/25/97/438642597.db2.gz ZBYJJHPTXSUVQX-HOTGVXAUSA-N 1 1 334.416 0.731 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000451866790 438609077 /nfs/dbraw/zinc/60/90/77/438609077.db2.gz KCKCIYGECFGMKA-ZBFHGGJFSA-N 1 1 349.456 0.927 20 30 ECEDMO Cn1cc([C@@H]2C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]2CO)cn1 ZINC000444749317 438663005 /nfs/dbraw/zinc/66/30/05/438663005.db2.gz VNJTXELESSVJIP-HOTGVXAUSA-N 1 1 344.419 0.084 20 30 ECEDMO Cn1cc([C@@H]2C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]2CO)cn1 ZINC000444749317 438663010 /nfs/dbraw/zinc/66/30/10/438663010.db2.gz VNJTXELESSVJIP-HOTGVXAUSA-N 1 1 344.419 0.084 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411966619 438684085 /nfs/dbraw/zinc/68/40/85/438684085.db2.gz GWVUBZFEAOWFDQ-QGZVFWFLSA-N 1 1 330.388 0.127 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC12COC2 ZINC000451140001 438697325 /nfs/dbraw/zinc/69/73/25/438697325.db2.gz SQYYSIGSGNYEIP-BBRMVZONSA-N 1 1 337.420 0.552 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC12COC2 ZINC000451140001 438697327 /nfs/dbraw/zinc/69/73/27/438697327.db2.gz SQYYSIGSGNYEIP-BBRMVZONSA-N 1 1 337.420 0.552 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1F ZINC000453828502 438697508 /nfs/dbraw/zinc/69/75/08/438697508.db2.gz YJZYNHKYGYPCFJ-AWEZNQCLSA-N 1 1 348.378 0.599 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000451441280 438698914 /nfs/dbraw/zinc/69/89/14/438698914.db2.gz YIPQYEWZGOESPP-CJNGLKHVSA-N 1 1 344.406 0.381 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000451441280 438698917 /nfs/dbraw/zinc/69/89/17/438698917.db2.gz YIPQYEWZGOESPP-CJNGLKHVSA-N 1 1 344.406 0.381 20 30 ECEDMO CC(C)N1CC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1=O ZINC000574869073 438725244 /nfs/dbraw/zinc/72/52/44/438725244.db2.gz MBYJLUGCGCEDLE-HNNXBMFYSA-N 1 1 335.429 0.931 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@]2(C#N)CCOC2)CC1=O ZINC000548468575 438729540 /nfs/dbraw/zinc/72/95/40/438729540.db2.gz AEEXRIVFPSEQBE-VBQJREDUSA-N 1 1 334.420 0.118 20 30 ECEDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000551907569 438739097 /nfs/dbraw/zinc/73/90/97/438739097.db2.gz STOPOZMVARPFIS-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000551907569 438739098 /nfs/dbraw/zinc/73/90/98/438739098.db2.gz STOPOZMVARPFIS-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC001041730094 782071386 /nfs/dbraw/zinc/07/13/86/782071386.db2.gz JLEOKBHNJLYLCZ-QGZVFWFLSA-N 1 1 330.436 0.744 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2c(F)cccc2C#N)CC1 ZINC000505289283 438802934 /nfs/dbraw/zinc/80/29/34/438802934.db2.gz HYDTWAMDAWKVSZ-UHFFFAOYSA-N 1 1 332.379 0.566 20 30 ECEDMO CON=CC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497135360 438769675 /nfs/dbraw/zinc/76/96/75/438769675.db2.gz UMAKDCSSCCWFPF-UHFFFAOYSA-N 1 1 328.413 0.678 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000577188785 438821927 /nfs/dbraw/zinc/82/19/27/438821927.db2.gz MVPSINLRWZTJSX-ULQDDVLXSA-N 1 1 325.453 0.853 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@H](CC(N)=O)C3)C2=O)cc1 ZINC000588305574 438829077 /nfs/dbraw/zinc/82/90/77/438829077.db2.gz SGDDWDAXXLMMFY-JSGCOSHPSA-N 1 1 326.356 0.387 20 30 ECEDMO C[C@H]1NC(=O)N(CC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000577348114 438833897 /nfs/dbraw/zinc/83/38/97/438833897.db2.gz SXUGBZZMMLJFSD-YPMHNXCESA-N 1 1 329.360 0.347 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC000595738467 438853281 /nfs/dbraw/zinc/85/32/81/438853281.db2.gz ISJVJXGDSAGYEJ-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000590010970 438896437 /nfs/dbraw/zinc/89/64/37/438896437.db2.gz DJXKIYSQJQKWCY-IKGGRYGDSA-N 1 1 333.480 0.315 20 30 ECEDMO C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000589139393 438857955 /nfs/dbraw/zinc/85/79/55/438857955.db2.gz YFGQZCCHCSLGEO-BBRMVZONSA-N 1 1 344.415 0.352 20 30 ECEDMO C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000589139393 438857957 /nfs/dbraw/zinc/85/79/57/438857957.db2.gz YFGQZCCHCSLGEO-BBRMVZONSA-N 1 1 344.415 0.352 20 30 ECEDMO N#Cc1cc(O)cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000589175024 438860558 /nfs/dbraw/zinc/86/05/58/438860558.db2.gz BCPJLBXNUGUMLW-ZDUSSCGKSA-N 1 1 330.388 0.581 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)C1 ZINC000589221934 438862256 /nfs/dbraw/zinc/86/22/56/438862256.db2.gz VZWKOZVBXGIJCA-HNNXBMFYSA-N 1 1 340.493 0.722 20 30 ECEDMO CCc1nc(C#N)cc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000596109180 438926535 /nfs/dbraw/zinc/92/65/35/438926535.db2.gz GMRKXDCWNGYKDN-CQSZACIVSA-N 1 1 330.436 1.265 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CCN(CCC#N)CC1)[NH+]1CCOCC1 ZINC000601545883 438931264 /nfs/dbraw/zinc/93/12/64/438931264.db2.gz IEARTMYFHZLHHN-MRXNPFEDSA-N 1 1 337.468 0.584 20 30 ECEDMO COCCN(CC#N)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000459547806 438974535 /nfs/dbraw/zinc/97/45/35/438974535.db2.gz WZAMNLKQXSYXNU-UHFFFAOYSA-N 1 1 330.432 0.803 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)Cn1cc(C)n(-c2ccc(C#N)cc2)c1=O ZINC000519714432 439058128 /nfs/dbraw/zinc/05/81/28/439058128.db2.gz RVOVFAWIENFVJE-QGZVFWFLSA-N 1 1 344.415 0.758 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000602196556 439037637 /nfs/dbraw/zinc/03/76/37/439037637.db2.gz XLFBEIFHTMUTBS-DLBZAZTESA-N 1 1 340.427 0.894 20 30 ECEDMO C[C@H](CCC#N)C[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000602442466 439086629 /nfs/dbraw/zinc/08/66/29/439086629.db2.gz YVRRYKMEVJNHDC-CQSZACIVSA-N 1 1 330.454 0.121 20 30 ECEDMO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000597625567 439139910 /nfs/dbraw/zinc/13/99/10/439139910.db2.gz PJPRODITLMVKDD-GDBMZVCRSA-N 1 1 328.416 0.832 20 30 ECEDMO CN(C)C[C@]1(O)CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878497 439150895 /nfs/dbraw/zinc/15/08/95/439150895.db2.gz XNDYARHIQMSSQZ-DOTOQJQBSA-N 1 1 325.453 0.446 20 30 ECEDMO CN(C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878497 439150900 /nfs/dbraw/zinc/15/09/00/439150900.db2.gz XNDYARHIQMSSQZ-DOTOQJQBSA-N 1 1 325.453 0.446 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000602909302 439156117 /nfs/dbraw/zinc/15/61/17/439156117.db2.gz SNIOJKRNSLLAAE-MRXNPFEDSA-N 1 1 340.387 0.879 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000602909302 439156123 /nfs/dbraw/zinc/15/61/23/439156123.db2.gz SNIOJKRNSLLAAE-MRXNPFEDSA-N 1 1 340.387 0.879 20 30 ECEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592147320 439163810 /nfs/dbraw/zinc/16/38/10/439163810.db2.gz NXPPSEZXWRVFGX-WBVHZDCISA-N 1 1 333.388 0.735 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000592193218 439174716 /nfs/dbraw/zinc/17/47/16/439174716.db2.gz DOBYHRZVCFDHQW-UKRRQHHQSA-N 1 1 331.372 0.743 20 30 ECEDMO CN1CCN(C(=O)C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000602989316 439177663 /nfs/dbraw/zinc/17/76/63/439177663.db2.gz LAWYBFOXCGHQFD-MRXNPFEDSA-N 1 1 346.431 0.004 20 30 ECEDMO CN1CCN(C(=O)C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000602989316 439177667 /nfs/dbraw/zinc/17/76/67/439177667.db2.gz LAWYBFOXCGHQFD-MRXNPFEDSA-N 1 1 346.431 0.004 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000592206433 439182602 /nfs/dbraw/zinc/18/26/02/439182602.db2.gz GEAYWTGBLYXQQP-RSUWNVLCSA-N 1 1 325.409 0.285 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000592206433 439182607 /nfs/dbraw/zinc/18/26/07/439182607.db2.gz GEAYWTGBLYXQQP-RSUWNVLCSA-N 1 1 325.409 0.285 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(CCC#N)nn2)C1 ZINC000603185315 439205567 /nfs/dbraw/zinc/20/55/67/439205567.db2.gz FUODZBYVFCTWDE-HNNXBMFYSA-N 1 1 334.424 0.207 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#N)n2)C1 ZINC000581823576 439254059 /nfs/dbraw/zinc/25/40/59/439254059.db2.gz OUNULVKKCZYCLI-CYBMUJFWSA-N 1 1 329.404 0.986 20 30 ECEDMO N#CC1(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC2(CC2)C1 ZINC000603411618 439255151 /nfs/dbraw/zinc/25/51/51/439255151.db2.gz NKICCKJFBLONIM-MRXNPFEDSA-N 1 1 346.475 0.983 20 30 ECEDMO N#CCCCS(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603417931 439258520 /nfs/dbraw/zinc/25/85/20/439258520.db2.gz QDVLXSMHMGFMAX-OAHLLOKOSA-N 1 1 344.481 0.006 20 30 ECEDMO N#CCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603417931 439258524 /nfs/dbraw/zinc/25/85/24/439258524.db2.gz QDVLXSMHMGFMAX-OAHLLOKOSA-N 1 1 344.481 0.006 20 30 ECEDMO N#CC1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCC1 ZINC000581932374 439267078 /nfs/dbraw/zinc/26/70/78/439267078.db2.gz HLCJOFVYUHNCMY-HNNXBMFYSA-N 1 1 348.447 0.510 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CCCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC000490915029 439312404 /nfs/dbraw/zinc/31/24/04/439312404.db2.gz KZPGBWIJCFCZED-CABCVRRESA-N 1 1 341.477 0.693 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC000490915029 439312407 /nfs/dbraw/zinc/31/24/07/439312407.db2.gz KZPGBWIJCFCZED-CABCVRRESA-N 1 1 341.477 0.693 20 30 ECEDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000569333057 439323598 /nfs/dbraw/zinc/32/35/98/439323598.db2.gz PGDAOPMJXDUTNS-FUHWJXTLSA-N 1 1 346.475 0.718 20 30 ECEDMO C#CCn1ccc(CN(CCOC)CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000491099747 439329910 /nfs/dbraw/zinc/32/99/10/439329910.db2.gz CRPIOUUPYRTNQV-UHFFFAOYSA-N 1 1 347.463 0.129 20 30 ECEDMO C#CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC000491096433 439331206 /nfs/dbraw/zinc/33/12/06/439331206.db2.gz SIOQXAKHJJJZBG-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+](CC#CC)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000490715594 439289705 /nfs/dbraw/zinc/28/97/05/439289705.db2.gz XRDSYKKKLYUHPZ-MRXNPFEDSA-N 1 1 325.368 0.823 20 30 ECEDMO C#CC[N@H+](CC#CC)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000490715594 439289709 /nfs/dbraw/zinc/28/97/09/439289709.db2.gz XRDSYKKKLYUHPZ-MRXNPFEDSA-N 1 1 325.368 0.823 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCC(C[NH+](CC)CC)CC2)CC1 ZINC000490778676 439299142 /nfs/dbraw/zinc/29/91/42/439299142.db2.gz ISVJQOFFWBHFFR-UHFFFAOYSA-N 1 1 334.508 0.818 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000491295282 439362925 /nfs/dbraw/zinc/36/29/25/439362925.db2.gz GIXJDBMZGDUIBY-KURKYZTESA-N 1 1 333.476 0.779 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@](C(=O)OCC)(C(C)C)C2)CC1 ZINC000491286342 439363542 /nfs/dbraw/zinc/36/35/42/439363542.db2.gz HZHNUPWZKZZSJH-IBGZPJMESA-N 1 1 349.475 0.675 20 30 ECEDMO CC(=O)NCC(=O)N1CCC[N@@H+](CCOc2cccc(C#N)c2)CC1 ZINC000528729000 439364264 /nfs/dbraw/zinc/36/42/64/439364264.db2.gz HTFSCSYCIFBVIX-UHFFFAOYSA-N 1 1 344.415 0.607 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N2Cc3cccc(C#N)c3C2)CC1 ZINC000593303865 439364840 /nfs/dbraw/zinc/36/48/40/439364840.db2.gz BLOXDTIVEYIHIN-UHFFFAOYSA-N 1 1 341.415 0.794 20 30 ECEDMO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)n1 ZINC000598991825 439339362 /nfs/dbraw/zinc/33/93/62/439339362.db2.gz STGZYAWLLZKVBC-SNVBAGLBSA-N 1 1 326.389 0.821 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2ccccc2C#N)[C@@H](C)C1 ZINC000528465827 439340123 /nfs/dbraw/zinc/34/01/23/439340123.db2.gz RWBKYRLFZJAFNM-YQQAZPJKSA-N 1 1 333.432 0.685 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000491209968 439349481 /nfs/dbraw/zinc/34/94/81/439349481.db2.gz OFOUWWNIKDZQIE-UHFFFAOYSA-N 1 1 337.427 0.739 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000491210617 439349759 /nfs/dbraw/zinc/34/97/59/439349759.db2.gz WRKBHWHTBFDNDG-CQSZACIVSA-N 1 1 347.419 0.281 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000491210455 439349863 /nfs/dbraw/zinc/34/98/63/439349863.db2.gz UOKDLTBAFBVBCB-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000491210455 439349868 /nfs/dbraw/zinc/34/98/68/439349868.db2.gz UOKDLTBAFBVBCB-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000491210616 439350248 /nfs/dbraw/zinc/35/02/48/439350248.db2.gz WRKBHWHTBFDNDG-AWEZNQCLSA-N 1 1 347.419 0.281 20 30 ECEDMO N#Cc1cccnc1OC1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000599072556 439351739 /nfs/dbraw/zinc/35/17/39/439351739.db2.gz IXACATNLEGBPFB-UHFFFAOYSA-N 1 1 326.364 0.187 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000491494232 439394163 /nfs/dbraw/zinc/39/41/63/439394163.db2.gz BLJRBTOLEPBRGJ-CZUORRHYSA-N 1 1 331.420 0.011 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)C[C@](C)(C(C)C)C2=O)CC1 ZINC000491544513 439403055 /nfs/dbraw/zinc/40/30/55/439403055.db2.gz MGGDRMSOCIFFAE-GOSISDBHSA-N 1 1 333.432 0.827 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000491569328 439407694 /nfs/dbraw/zinc/40/76/94/439407694.db2.gz VPZBKJLNLIZKFQ-HOTGVXAUSA-N 1 1 337.464 0.808 20 30 ECEDMO COCCCNC(=O)C[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599262408 439407042 /nfs/dbraw/zinc/40/70/42/439407042.db2.gz JCKBOMIHHGAECA-CQSZACIVSA-N 1 1 327.425 0.142 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000491639718 439416376 /nfs/dbraw/zinc/41/63/76/439416376.db2.gz ZXSNWPDYHZMHGF-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000491724391 439435695 /nfs/dbraw/zinc/43/56/95/439435695.db2.gz BIDZEXJHBQQCBM-KRWDZBQOSA-N 1 1 342.443 0.312 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCN(CCC(=O)OC)C[C@@H]1C ZINC000491718884 439435715 /nfs/dbraw/zinc/43/57/15/439435715.db2.gz WXBPIUWFAZUCRH-HNNXBMFYSA-N 1 1 338.452 0.220 20 30 ECEDMO COCCOCC[NH+]1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000593695639 439447428 /nfs/dbraw/zinc/44/74/28/439447428.db2.gz UABNWQJKHXMHCS-UHFFFAOYSA-N 1 1 344.419 0.382 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)n(CCC#N)n1 ZINC000533453761 439524096 /nfs/dbraw/zinc/52/40/96/439524096.db2.gz UBUYPTJYSFBPRW-CHWSQXEVSA-N 1 1 344.419 0.785 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)n(CCC#N)n1 ZINC000533453764 439524985 /nfs/dbraw/zinc/52/49/85/439524985.db2.gz UBUYPTJYSFBPRW-STQMWFEESA-N 1 1 344.419 0.785 20 30 ECEDMO CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C)nn1CCC#N)C(C)C ZINC000533326525 439525548 /nfs/dbraw/zinc/52/55/48/439525548.db2.gz YHRRUCNFDJUEEH-UHFFFAOYSA-N 1 1 334.424 0.890 20 30 ECEDMO N#CCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000594316380 439541025 /nfs/dbraw/zinc/54/10/25/439541025.db2.gz YYNRUYNHBOJQJH-INIZCTEOSA-N 1 1 341.415 0.630 20 30 ECEDMO N#CCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000594316380 439541030 /nfs/dbraw/zinc/54/10/30/439541030.db2.gz YYNRUYNHBOJQJH-INIZCTEOSA-N 1 1 341.415 0.630 20 30 ECEDMO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000538255519 439542495 /nfs/dbraw/zinc/54/24/95/439542495.db2.gz YVXCGHRHBDMFMA-LLVKDONJSA-N 1 1 336.465 0.692 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000572195511 439562795 /nfs/dbraw/zinc/56/27/95/439562795.db2.gz VUYWBVBQLXLNFZ-KSSFIOAISA-N 1 1 338.367 0.402 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000572195511 439562799 /nfs/dbraw/zinc/56/27/99/439562799.db2.gz VUYWBVBQLXLNFZ-KSSFIOAISA-N 1 1 338.367 0.402 20 30 ECEDMO N#CCC1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000543777741 439564323 /nfs/dbraw/zinc/56/43/23/439564323.db2.gz YEPIISURGXYRJZ-OAHLLOKOSA-N 1 1 335.452 0.909 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609531345 439573198 /nfs/dbraw/zinc/57/31/98/439573198.db2.gz QUFVLYJHXBTIJZ-ZWKOTPCHSA-N 1 1 341.459 0.889 20 30 ECEDMO CN(C(=O)C1(C#N)CCOCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609559498 439575258 /nfs/dbraw/zinc/57/52/58/439575258.db2.gz JNTWCEKUMZJTQJ-INIZCTEOSA-N 1 1 334.464 0.934 20 30 ECEDMO CN(C(=O)C1(C#N)CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609559498 439575263 /nfs/dbraw/zinc/57/52/63/439575263.db2.gz JNTWCEKUMZJTQJ-INIZCTEOSA-N 1 1 334.464 0.934 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419026 439587525 /nfs/dbraw/zinc/58/75/25/439587525.db2.gz SMAVYCYEFSNUSZ-HZPDHXFCSA-N 1 1 334.420 0.345 20 30 ECEDMO COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419026 439587529 /nfs/dbraw/zinc/58/75/29/439587529.db2.gz SMAVYCYEFSNUSZ-HZPDHXFCSA-N 1 1 334.420 0.345 20 30 ECEDMO COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419026 439587533 /nfs/dbraw/zinc/58/75/33/439587533.db2.gz SMAVYCYEFSNUSZ-HZPDHXFCSA-N 1 1 334.420 0.345 20 30 ECEDMO COc1cc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c(F)cc1C#N ZINC000599975380 439589091 /nfs/dbraw/zinc/58/90/91/439589091.db2.gz QWFZMKNEBXCPCZ-IINYFYTJSA-N 1 1 346.362 0.807 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)CC1 ZINC000572830989 439612754 /nfs/dbraw/zinc/61/27/54/439612754.db2.gz GKSBFVMULOYIEO-RCCFBDPRSA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)CC1 ZINC000572830989 439612759 /nfs/dbraw/zinc/61/27/59/439612759.db2.gz GKSBFVMULOYIEO-RCCFBDPRSA-N 1 1 347.507 0.847 20 30 ECEDMO C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000595161210 439664359 /nfs/dbraw/zinc/66/43/59/439664359.db2.gz GRGHCKYYLCJIKF-QGZVFWFLSA-N 1 1 334.420 0.072 20 30 ECEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1 ZINC000595173157 439668493 /nfs/dbraw/zinc/66/84/93/439668493.db2.gz WSNGMNNDHPECNG-CRAIPNDOSA-N 1 1 332.448 0.939 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000595181202 439670046 /nfs/dbraw/zinc/67/00/46/439670046.db2.gz BOKDENRPYOEJOX-UONOGXRCSA-N 1 1 325.478 0.965 20 30 ECEDMO N#Cc1ccc(N2CC[C@H](C(=O)NCC[N@@H+]3CC[C@H](O)C3)C2)c(F)c1 ZINC000600808749 439705124 /nfs/dbraw/zinc/70/51/24/439705124.db2.gz PAUYWWKRNLLAFD-GJZGRUSLSA-N 1 1 346.406 0.706 20 30 ECEDMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000595340407 439706101 /nfs/dbraw/zinc/70/61/01/439706101.db2.gz WGDQCWFGORDUSV-LSDHHAIUSA-N 1 1 332.452 0.560 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)s1 ZINC000595383140 439718275 /nfs/dbraw/zinc/71/82/75/439718275.db2.gz ADIZSJMAOKZGTO-LBPRGKRZSA-N 1 1 341.458 0.839 20 30 ECEDMO N#Cc1ccc(N2CC[C@@H](C(=O)NCC[N@@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000600534365 439674703 /nfs/dbraw/zinc/67/47/03/439674703.db2.gz PAUYWWKRNLLAFD-HUUCEWRRSA-N 1 1 346.406 0.706 20 30 ECEDMO C[NH+]1CCN(CC(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)CC1 ZINC000611213107 439681750 /nfs/dbraw/zinc/68/17/50/439681750.db2.gz KTYVVZFHLWKJIL-UHFFFAOYSA-N 1 1 338.415 0.812 20 30 ECEDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@@H]1C ZINC000611248882 439684648 /nfs/dbraw/zinc/68/46/48/439684648.db2.gz FCIMYWZVNDIJPY-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@@H]1C ZINC000611248882 439684651 /nfs/dbraw/zinc/68/46/51/439684651.db2.gz FCIMYWZVNDIJPY-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000611432353 439697027 /nfs/dbraw/zinc/69/70/27/439697027.db2.gz UVMLKVDVVVURBU-ZACQAIPSSA-N 1 1 325.453 0.709 20 30 ECEDMO N#CC[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000595492576 439734308 /nfs/dbraw/zinc/73/43/08/439734308.db2.gz XCNQUHSNYVTPIC-CABCVRRESA-N 1 1 335.452 0.909 20 30 ECEDMO C[C@@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1CCO ZINC000614600966 439781636 /nfs/dbraw/zinc/78/16/36/439781636.db2.gz YEYBPUBLWJUCQA-NVXWUHKLSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCN1CCO ZINC000614600966 439781637 /nfs/dbraw/zinc/78/16/37/439781637.db2.gz YEYBPUBLWJUCQA-NVXWUHKLSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCN1CCO ZINC000614600966 439781638 /nfs/dbraw/zinc/78/16/38/439781638.db2.gz YEYBPUBLWJUCQA-NVXWUHKLSA-N 1 1 333.432 0.491 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC[N@@H+]1CCO ZINC000614957075 439791243 /nfs/dbraw/zinc/79/12/43/439791243.db2.gz BVCRRALQUVFPQP-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC[N@H+]1CCO ZINC000614957075 439791244 /nfs/dbraw/zinc/79/12/44/439791244.db2.gz BVCRRALQUVFPQP-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC1CCN(CC#N)CC1 ZINC000619032953 440197578 /nfs/dbraw/zinc/19/75/78/440197578.db2.gz UIKVLDCAMJIMQP-UHFFFAOYSA-N 1 1 337.468 0.727 20 30 ECEDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC1CCN(CC#N)CC1 ZINC000619032953 440197584 /nfs/dbraw/zinc/19/75/84/440197584.db2.gz UIKVLDCAMJIMQP-UHFFFAOYSA-N 1 1 337.468 0.727 20 30 ECEDMO C=CCN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H](C)COC ZINC000664172902 440250580 /nfs/dbraw/zinc/25/05/80/440250580.db2.gz BEOIBMRMKBTACM-HUUCEWRRSA-N 1 1 340.468 0.806 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nn1 ZINC000644968344 440724800 /nfs/dbraw/zinc/72/48/00/440724800.db2.gz IWGLLMAFFPRCQD-AWEZNQCLSA-N 1 1 348.451 0.859 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703345 440764587 /nfs/dbraw/zinc/76/45/87/440764587.db2.gz RJGXMRVSEWBNTG-ZFWWWQNUSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703345 440764590 /nfs/dbraw/zinc/76/45/90/440764590.db2.gz RJGXMRVSEWBNTG-ZFWWWQNUSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCN1CC[C@@H](N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCN(CC=C)C2=O)C1=O ZINC000640049906 440865200 /nfs/dbraw/zinc/86/52/00/440865200.db2.gz UAAWGTQBLNQARO-LUKYLMHMSA-N 1 1 344.459 0.319 20 30 ECEDMO C=CCN1CC[C@@H](N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCN(CC=C)C2=O)C1=O ZINC000640049906 440865204 /nfs/dbraw/zinc/86/52/04/440865204.db2.gz UAAWGTQBLNQARO-LUKYLMHMSA-N 1 1 344.459 0.319 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3[C@H]2CCN(CC=C)C2=O)C1=O ZINC000640049906 440865208 /nfs/dbraw/zinc/86/52/08/440865208.db2.gz UAAWGTQBLNQARO-LUKYLMHMSA-N 1 1 344.459 0.319 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3[C@H]2CCN(CC=C)C2=O)C1=O ZINC000640049906 440865213 /nfs/dbraw/zinc/86/52/13/440865213.db2.gz UAAWGTQBLNQARO-LUKYLMHMSA-N 1 1 344.459 0.319 20 30 ECEDMO C=CCNC(=O)[C@@H](C)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335162 441017498 /nfs/dbraw/zinc/01/74/98/441017498.db2.gz GJPMKQHMEWRQMF-HUUCEWRRSA-N 1 1 346.479 0.689 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001041736509 782086578 /nfs/dbraw/zinc/08/65/78/782086578.db2.gz STAJKMZUADGRLO-GDBMZVCRSA-N 1 1 341.477 0.521 20 30 ECEDMO COc1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)ccn1 ZINC000562987509 322291293 /nfs/dbraw/zinc/29/12/93/322291293.db2.gz YAXZVWHMIPOCBX-UHFFFAOYSA-N 1 1 332.385 0.920 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000563014309 322292697 /nfs/dbraw/zinc/29/26/97/322292697.db2.gz SNXPVROUKOBJEO-CQSZACIVSA-N 1 1 328.376 0.484 20 30 ECEDMO N#Cc1cnn2c1NC[C@H](C[N@H+]1CCO[C@H](COCC3CC3)C1)C2 ZINC000563149679 322301620 /nfs/dbraw/zinc/30/16/20/322301620.db2.gz KRACBXITJVEHAV-ZBFHGGJFSA-N 1 1 331.420 0.924 20 30 ECEDMO N#Cc1ccc(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000572103538 322739153 /nfs/dbraw/zinc/73/91/53/322739153.db2.gz LTNZOYLXPJYBML-INIZCTEOSA-N 1 1 341.415 0.664 20 30 ECEDMO Cc1nc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1C#N ZINC000575877785 322797632 /nfs/dbraw/zinc/79/76/32/322797632.db2.gz YMCGAMBBWPJGOH-CQSZACIVSA-N 1 1 327.388 0.298 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@]3(CCN(C(=O)c4nc[nH]n4)C3)C2)C1=O ZINC001041750769 782123480 /nfs/dbraw/zinc/12/34/80/782123480.db2.gz WFLVLBFXLIQBBS-DYVFJYSZSA-N 1 1 344.419 0.130 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1O ZINC001078027699 782169183 /nfs/dbraw/zinc/16/91/83/782169183.db2.gz DGLJUICMKLOXDU-BPLDGKMQSA-N 1 1 335.379 0.617 20 30 ECEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000328651273 546002318 /nfs/dbraw/zinc/00/23/18/546002318.db2.gz BLFQAMYQRSUGTJ-CYBMUJFWSA-N 1 1 326.441 0.421 20 30 ECEDMO Cn1nccc1CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000328658123 546003698 /nfs/dbraw/zinc/00/36/98/546003698.db2.gz QMEYMFSOWHSIMA-UHFFFAOYSA-N 1 1 348.451 0.320 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)c2cccnc2N2CCOCC2)C1 ZINC000329208154 546016364 /nfs/dbraw/zinc/01/63/64/546016364.db2.gz BONNNFPNIFXDMI-AWEZNQCLSA-N 1 1 334.420 0.944 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000329505228 546025904 /nfs/dbraw/zinc/02/59/04/546025904.db2.gz ZIOOXKZJBXQLCS-AWEZNQCLSA-N 1 1 339.484 0.337 20 30 ECEDMO N#CC1CCC(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333752304 546063286 /nfs/dbraw/zinc/06/32/86/546063286.db2.gz KDIISFZLGQJGDK-GPANFISMSA-N 1 1 347.463 0.922 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cc1 ZINC000619574297 546342950 /nfs/dbraw/zinc/34/29/50/546342950.db2.gz OMFLDICXHQIYBG-HZPDHXFCSA-N 1 1 344.390 0.933 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C ZINC000619710805 546360618 /nfs/dbraw/zinc/36/06/18/546360618.db2.gz WCFBBMSVWBVFOZ-RDBSUJKOSA-N 1 1 330.454 0.260 20 30 ECEDMO C=C[C@H](O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000668163191 547598585 /nfs/dbraw/zinc/59/85/85/547598585.db2.gz VUHZMNQLKFJHQU-INIZCTEOSA-N 1 1 346.431 0.382 20 30 ECEDMO C(#CC[N@H+]1CC[C@H](n2cncn2)C1)CN1CC[C@H](n2cncn2)C1 ZINC000671243418 548112169 /nfs/dbraw/zinc/11/21/69/548112169.db2.gz DGPLELGVSMFUNT-HOTGVXAUSA-N 1 1 326.408 0.067 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC001041772263 782170854 /nfs/dbraw/zinc/17/08/54/782170854.db2.gz JBSOXBPYVQJJKS-GOSISDBHSA-N 1 1 346.431 0.265 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)cn1 ZINC001078032453 782179583 /nfs/dbraw/zinc/17/95/83/782179583.db2.gz PEGDSDHPDLRGQO-QZTJIDSGSA-N 1 1 343.427 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000753787836 579405823 /nfs/dbraw/zinc/40/58/23/579405823.db2.gz TUBWQUNMDDKTMK-HNNXBMFYSA-N 1 1 339.461 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000753787836 579405824 /nfs/dbraw/zinc/40/58/24/579405824.db2.gz TUBWQUNMDDKTMK-HNNXBMFYSA-N 1 1 339.461 0.157 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759911641 579500624 /nfs/dbraw/zinc/50/06/24/579500624.db2.gz OZLQBSUDNIQBDN-KBPBESRZSA-N 1 1 326.400 0.657 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759911641 579500625 /nfs/dbraw/zinc/50/06/25/579500625.db2.gz OZLQBSUDNIQBDN-KBPBESRZSA-N 1 1 326.400 0.657 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000725809316 578133926 /nfs/dbraw/zinc/13/39/26/578133926.db2.gz RUQITRHXTZSAKV-GFCCVEGCSA-N 1 1 340.424 0.845 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000725809316 578133927 /nfs/dbraw/zinc/13/39/27/578133927.db2.gz RUQITRHXTZSAKV-GFCCVEGCSA-N 1 1 340.424 0.845 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(C)(C)CC2)c1=O ZINC000726965082 578151923 /nfs/dbraw/zinc/15/19/23/578151923.db2.gz TXVHMQLOKUVDLF-UHFFFAOYSA-N 1 1 334.420 0.623 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cnn(CC#N)c2)CC1=O ZINC000729627033 578297604 /nfs/dbraw/zinc/29/76/04/578297604.db2.gz GSSUCIYEIFZFKD-DZGCQCFKSA-N 1 1 344.419 0.678 20 30 ECEDMO N#CCN1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000730438631 578306054 /nfs/dbraw/zinc/30/60/54/578306054.db2.gz SVJRZYFVIZZQDO-UHFFFAOYSA-N 1 1 325.482 0.161 20 30 ECEDMO CC[N@H+]1CCC[C@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000732465406 578325962 /nfs/dbraw/zinc/32/59/62/578325962.db2.gz MVIPLOZPDQTALG-UWZWCOGJSA-N 1 1 349.435 0.544 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)c1 ZINC000732896151 578330844 /nfs/dbraw/zinc/33/08/44/578330844.db2.gz KWNFZAFCAFAFKB-UHFFFAOYSA-N 1 1 347.440 0.802 20 30 ECEDMO COCc1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)no1 ZINC000794870396 578600695 /nfs/dbraw/zinc/60/06/95/578600695.db2.gz LQNVLDNPZJSPKJ-UHFFFAOYSA-N 1 1 341.437 0.341 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000799073384 578657027 /nfs/dbraw/zinc/65/70/27/578657027.db2.gz HSSFLMYHTXYMAE-GOSISDBHSA-N 1 1 329.444 0.695 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000780932670 578702827 /nfs/dbraw/zinc/70/28/27/578702827.db2.gz CGTVBCCVFGSURF-IKGGRYGDSA-N 1 1 329.400 0.649 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000781014043 578704524 /nfs/dbraw/zinc/70/45/24/578704524.db2.gz OVDRRPFMJWYEBJ-DYVFJYSZSA-N 1 1 345.399 0.687 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000781014043 578704525 /nfs/dbraw/zinc/70/45/25/578704525.db2.gz OVDRRPFMJWYEBJ-DYVFJYSZSA-N 1 1 345.399 0.687 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000783304788 578741067 /nfs/dbraw/zinc/74/10/67/578741067.db2.gz YTELXEJPXVWXDS-HNNXBMFYSA-N 1 1 343.493 0.961 20 30 ECEDMO C=CCNC(=O)COC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000785639974 578771757 /nfs/dbraw/zinc/77/17/57/578771757.db2.gz DRSLGENUEPYVTB-KBPBESRZSA-N 1 1 337.420 0.165 20 30 ECEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1)C1CC1 ZINC000788472439 578837939 /nfs/dbraw/zinc/83/79/39/578837939.db2.gz PRKBHIZKGKPQSR-NVXWUHKLSA-N 1 1 331.420 0.964 20 30 ECEDMO Cc1[nH+]ccn1CCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000771866912 579197140 /nfs/dbraw/zinc/19/71/40/579197140.db2.gz DXORDFLPKQKBGP-UHFFFAOYSA-N 1 1 348.384 0.473 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000775189081 579264038 /nfs/dbraw/zinc/26/40/38/579264038.db2.gz GMUUHHFYTNQRCX-ZDUSSCGKSA-N 1 1 343.387 0.815 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)[C@H]1CCCO1 ZINC000775791918 579271397 /nfs/dbraw/zinc/27/13/97/579271397.db2.gz PAUXLUAGCRCJIT-HZPDHXFCSA-N 1 1 335.448 0.666 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCCO1 ZINC000776229964 579278242 /nfs/dbraw/zinc/27/82/42/579278242.db2.gz HVAMSJOVHHHQES-JYJNAYRXSA-N 1 1 348.447 0.115 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000776593637 579285435 /nfs/dbraw/zinc/28/54/35/579285435.db2.gz MGJVXGYHWMZHCO-SFHVURJKSA-N 1 1 345.491 0.320 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326894 579620365 /nfs/dbraw/zinc/62/03/65/579620365.db2.gz RUFRLHYUTQVYGY-UHFFFAOYSA-N 1 1 340.468 0.773 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326894 579620367 /nfs/dbraw/zinc/62/03/67/579620367.db2.gz RUFRLHYUTQVYGY-UHFFFAOYSA-N 1 1 340.468 0.773 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)n(CCC#N)n1 ZINC000746423053 579838872 /nfs/dbraw/zinc/83/88/72/579838872.db2.gz RCJHYRKLZKGBEQ-CYBMUJFWSA-N 1 1 332.408 0.644 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000747819923 579854945 /nfs/dbraw/zinc/85/49/45/579854945.db2.gz APSWCPCGFDHKEB-UHFFFAOYSA-N 1 1 342.399 0.185 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cc(C#N)c[nH]2)C1 ZINC000748229084 579857404 /nfs/dbraw/zinc/85/74/04/579857404.db2.gz YXLFTWBOLFBVMY-AWEZNQCLSA-N 1 1 348.403 0.516 20 30 ECEDMO C=CC[C@H]1CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000890558918 586053983 /nfs/dbraw/zinc/05/39/83/586053983.db2.gz WFLDFSVPLDLICC-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000804693202 586061119 /nfs/dbraw/zinc/06/11/19/586061119.db2.gz RDDKWLIKQFCHQD-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000804693202 586061121 /nfs/dbraw/zinc/06/11/21/586061121.db2.gz RDDKWLIKQFCHQD-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896180692 586224975 /nfs/dbraw/zinc/22/49/75/586224975.db2.gz FDLPCWISANSFLZ-OAHLLOKOSA-N 1 1 334.464 0.143 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n[nH]1 ZINC000896314579 586234592 /nfs/dbraw/zinc/23/45/92/586234592.db2.gz HKWKEAAARIGXKP-XJKSGUPXSA-N 1 1 328.420 0.989 20 30 ECEDMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n[nH]1 ZINC000896314579 586234595 /nfs/dbraw/zinc/23/45/95/586234595.db2.gz HKWKEAAARIGXKP-XJKSGUPXSA-N 1 1 328.420 0.989 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(C(=O)NCCNc3ncccc3C#N)C[C@]2(C)C1 ZINC000892308622 586245398 /nfs/dbraw/zinc/24/53/98/586245398.db2.gz SATPEOFPGWGUNE-PBHICJAKSA-N 1 1 328.420 0.958 20 30 ECEDMO C=CCN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000897223249 586289492 /nfs/dbraw/zinc/28/94/92/586289492.db2.gz FTOQIUXKGFXJRK-HNNXBMFYSA-N 1 1 342.461 0.299 20 30 ECEDMO C[NH+](C)Cc1cnc(CN2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)s1 ZINC000897292778 586295077 /nfs/dbraw/zinc/29/50/77/586295077.db2.gz MJTSVZOJXJFIRS-BXUZGUMPSA-N 1 1 340.474 0.575 20 30 ECEDMO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@]1(OC)CCS(=O)(=O)C1 ZINC000892862788 586297077 /nfs/dbraw/zinc/29/70/77/586297077.db2.gz GVNKNZGKSWXHRO-DZGCQCFKSA-N 1 1 331.434 0.467 20 30 ECEDMO C#CCN1C(=O)C[C@@H]([N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1=O ZINC000843270466 589058990 /nfs/dbraw/zinc/05/89/90/589058990.db2.gz VJCKTJOESTYIHH-HZPDHXFCSA-N 1 1 339.395 0.385 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCOC)cc1 ZINC000735589260 586764285 /nfs/dbraw/zinc/76/42/85/586764285.db2.gz GHVZKNDBJWDOIR-UHFFFAOYSA-N 1 1 333.388 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cccc(OCC(N)=O)c2)C1 ZINC000888412518 586779423 /nfs/dbraw/zinc/77/94/23/586779423.db2.gz MENKLSNMXAQWAA-HNNXBMFYSA-N 1 1 344.415 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(OCC(N)=O)c2)C1 ZINC000888412518 586779425 /nfs/dbraw/zinc/77/94/25/586779425.db2.gz MENKLSNMXAQWAA-HNNXBMFYSA-N 1 1 344.415 0.448 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000838622711 586818550 /nfs/dbraw/zinc/81/85/50/586818550.db2.gz YWRQYXZKLRVBGQ-GDBMZVCRSA-N 1 1 330.432 0.898 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC000838623211 586819289 /nfs/dbraw/zinc/81/92/89/586819289.db2.gz VHOGFNQKIRVMCI-CQSZACIVSA-N 1 1 334.445 0.886 20 30 ECEDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758190441 586896248 /nfs/dbraw/zinc/89/62/48/586896248.db2.gz FTZHLVBJTZAMPX-HIFRSBDPSA-N 1 1 332.404 0.541 20 30 ECEDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758190441 586896249 /nfs/dbraw/zinc/89/62/49/586896249.db2.gz FTZHLVBJTZAMPX-HIFRSBDPSA-N 1 1 332.404 0.541 20 30 ECEDMO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC[NH2+]CCC#N)C1 ZINC000905509371 586897393 /nfs/dbraw/zinc/89/73/93/586897393.db2.gz QESUPMBUZDVDNP-LBPRGKRZSA-N 1 1 331.438 0.914 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@]2(C#N)CC3CCC2CC3)CC1 ZINC000906671768 586964128 /nfs/dbraw/zinc/96/41/28/586964128.db2.gz ILZMCGGQNKSKRZ-JTTJXQCZSA-N 1 1 332.448 0.987 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000907382345 587038700 /nfs/dbraw/zinc/03/87/00/587038700.db2.gz HCGFDRLHEUROIY-YOEHRIQHSA-N 1 1 329.404 0.057 20 30 ECEDMO C=CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C ZINC000806209494 587091160 /nfs/dbraw/zinc/09/11/60/587091160.db2.gz CLAUCSBSGOYBIC-HNNXBMFYSA-N 1 1 336.480 0.694 20 30 ECEDMO C=CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000806209494 587091161 /nfs/dbraw/zinc/09/11/61/587091161.db2.gz CLAUCSBSGOYBIC-HNNXBMFYSA-N 1 1 336.480 0.694 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[C@H]1CCCO1 ZINC000809303801 587173215 /nfs/dbraw/zinc/17/32/15/587173215.db2.gz BNPRNMXEEPMEEN-OWCLPIDISA-N 1 1 335.448 0.378 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000814399494 587274010 /nfs/dbraw/zinc/27/40/10/587274010.db2.gz XOSGGEPPTNIKAV-UHFFFAOYSA-N 1 1 329.404 0.304 20 30 ECEDMO C#CCNC(=O)CC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000815096438 587282604 /nfs/dbraw/zinc/28/26/04/587282604.db2.gz PUDVJGWHGXNVLP-LJQANCHMSA-N 1 1 329.444 0.695 20 30 ECEDMO C#CCNC(=O)CCN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815096438 587282613 /nfs/dbraw/zinc/28/26/13/587282613.db2.gz PUDVJGWHGXNVLP-LJQANCHMSA-N 1 1 329.444 0.695 20 30 ECEDMO C#CCNC(=O)CCN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000815096438 587282614 /nfs/dbraw/zinc/28/26/14/587282614.db2.gz PUDVJGWHGXNVLP-LJQANCHMSA-N 1 1 329.444 0.695 20 30 ECEDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000815703501 587296334 /nfs/dbraw/zinc/29/63/34/587296334.db2.gz HCJWWEFBZAHZCL-WFASDCNBSA-N 1 1 328.372 0.690 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000815704960 587296410 /nfs/dbraw/zinc/29/64/10/587296410.db2.gz USPSETIMCRJBOP-SWLSCSKDSA-N 1 1 345.374 0.939 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000817121855 587334389 /nfs/dbraw/zinc/33/43/89/587334389.db2.gz YLSFNSFWMZKZRD-UHFFFAOYSA-N 1 1 329.400 0.123 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000817842941 587388785 /nfs/dbraw/zinc/38/87/85/587388785.db2.gz JNUAFRYXIZCIHG-UHFFFAOYSA-N 1 1 325.412 0.838 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000817846713 587389207 /nfs/dbraw/zinc/38/92/07/587389207.db2.gz WVJOAKSLKFTEQE-UHFFFAOYSA-N 1 1 325.412 0.981 20 30 ECEDMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CCCN(O)C1=O ZINC000820476854 587536275 /nfs/dbraw/zinc/53/62/75/587536275.db2.gz QLCFKXWRGZMGCR-HOTGVXAUSA-N 1 1 347.415 0.774 20 30 ECEDMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CCCN(O)C1=O ZINC000820476854 587536278 /nfs/dbraw/zinc/53/62/78/587536278.db2.gz QLCFKXWRGZMGCR-HOTGVXAUSA-N 1 1 347.415 0.774 20 30 ECEDMO C#C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1)C1CCOCC1 ZINC000823159314 587706529 /nfs/dbraw/zinc/70/65/29/587706529.db2.gz QMRWNMNSYNBWBR-LSDHHAIUSA-N 1 1 337.420 0.161 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CCOCC1 ZINC000823182414 587708011 /nfs/dbraw/zinc/70/80/11/587708011.db2.gz UAEMRARRYASAQD-MSOLQXFVSA-N 1 1 348.491 0.836 20 30 ECEDMO C#C[C@@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CCOCC1 ZINC000823182415 587708062 /nfs/dbraw/zinc/70/80/62/587708062.db2.gz UAEMRARRYASAQD-QZTJIDSGSA-N 1 1 348.491 0.836 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)COc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000840498906 587964203 /nfs/dbraw/zinc/96/42/03/587964203.db2.gz AMXWIRKVGPCZOH-CQSZACIVSA-N 1 1 331.372 0.500 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000826385567 588037515 /nfs/dbraw/zinc/03/75/15/588037515.db2.gz RLXPOPWABCQODL-UHFFFAOYSA-N 1 1 347.386 0.851 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000827420886 588119735 /nfs/dbraw/zinc/11/97/35/588119735.db2.gz ZAEZDUJKGJMPTA-INIZCTEOSA-N 1 1 332.379 0.677 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000827420886 588119737 /nfs/dbraw/zinc/11/97/37/588119737.db2.gz ZAEZDUJKGJMPTA-INIZCTEOSA-N 1 1 332.379 0.677 20 30 ECEDMO N#CC1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000827706822 588136442 /nfs/dbraw/zinc/13/64/42/588136442.db2.gz MAXGULKBBXJIBX-HUUCEWRRSA-N 1 1 348.447 0.556 20 30 ECEDMO C=CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000828473144 588181712 /nfs/dbraw/zinc/18/17/12/588181712.db2.gz PXAQPVGUMOTRMO-HUUCEWRRSA-N 1 1 333.436 0.879 20 30 ECEDMO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)C[C@H](C)[N@@H+]1CCO ZINC000829015671 588214901 /nfs/dbraw/zinc/21/49/01/588214901.db2.gz PJTJZXSYGASZRF-TXEJJXNPSA-N 1 1 338.433 0.097 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844949381 589126412 /nfs/dbraw/zinc/12/64/12/589126412.db2.gz XKJGUVGLWMAYOP-MRXNPFEDSA-N 1 1 334.420 0.811 20 30 ECEDMO CC(C)(C)OC(=O)N1CC[C@@](O)(C[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000847009652 589232883 /nfs/dbraw/zinc/23/28/83/589232883.db2.gz KNTRYRNBLQVAJX-HZPDHXFCSA-N 1 1 325.409 0.709 20 30 ECEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000847309753 589241146 /nfs/dbraw/zinc/24/11/46/589241146.db2.gz QBWLUIFORFEPNX-CYBMUJFWSA-N 1 1 328.416 0.803 20 30 ECEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000847309754 589241255 /nfs/dbraw/zinc/24/12/55/589241255.db2.gz QBWLUIFORFEPNX-ZDUSSCGKSA-N 1 1 328.416 0.803 20 30 ECEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCCN(O)C1=O ZINC000848134309 589279310 /nfs/dbraw/zinc/27/93/10/589279310.db2.gz RNNHCENGBMZFRH-NSHDSACASA-N 1 1 332.364 0.333 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000850712963 589381505 /nfs/dbraw/zinc/38/15/05/589381505.db2.gz YOQYVPJWAPRIHM-UHFFFAOYSA-N 1 1 334.420 0.538 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000850725316 589381971 /nfs/dbraw/zinc/38/19/71/589381971.db2.gz IXJOHOFVJHTGCL-UHFFFAOYSA-N 1 1 341.371 0.704 20 30 ECEDMO C#CCOCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000852184818 589448870 /nfs/dbraw/zinc/44/88/70/589448870.db2.gz QGGCLXDNDPCRJB-UHFFFAOYSA-N 1 1 341.389 0.455 20 30 ECEDMO C#CCOCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000852184818 589448871 /nfs/dbraw/zinc/44/88/71/589448871.db2.gz QGGCLXDNDPCRJB-UHFFFAOYSA-N 1 1 341.389 0.455 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C ZINC000852714710 589507229 /nfs/dbraw/zinc/50/72/29/589507229.db2.gz ZXUYOFVZYQBKHW-CZUORRHYSA-N 1 1 345.399 0.946 20 30 ECEDMO C=CC[C@@H]1CCC[N@@H+](Cn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)C1 ZINC000853536789 589546764 /nfs/dbraw/zinc/54/67/64/589546764.db2.gz YDTPNPOPRXJZEU-OAHLLOKOSA-N 1 1 346.431 0.789 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000853877308 589562964 /nfs/dbraw/zinc/56/29/64/589562964.db2.gz UFGFBEUQYYFOOF-KBPBESRZSA-N 1 1 339.436 0.692 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000853877308 589562966 /nfs/dbraw/zinc/56/29/66/589562966.db2.gz UFGFBEUQYYFOOF-KBPBESRZSA-N 1 1 339.436 0.692 20 30 ECEDMO C#C[C@@H](CC)NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000854072260 589570332 /nfs/dbraw/zinc/57/03/32/589570332.db2.gz BHIYZDBDVLZYKA-INIZCTEOSA-N 1 1 334.464 0.984 20 30 ECEDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000854643894 589597875 /nfs/dbraw/zinc/59/78/75/589597875.db2.gz ZWRFMMDGSIUKBL-BRWVUGGUSA-N 1 1 329.400 0.913 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000858137865 589726421 /nfs/dbraw/zinc/72/64/21/589726421.db2.gz HTFOPLXJMVRBRY-HNNXBMFYSA-N 1 1 338.452 0.315 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000859173198 589804905 /nfs/dbraw/zinc/80/49/05/589804905.db2.gz XCVTZBURQRNPRY-UHFFFAOYSA-N 1 1 338.355 0.672 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000859217899 589808773 /nfs/dbraw/zinc/80/87/73/589808773.db2.gz HQABQMJRDLNQIQ-GJZGRUSLSA-N 1 1 331.372 0.824 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000859217899 589808777 /nfs/dbraw/zinc/80/87/77/589808777.db2.gz HQABQMJRDLNQIQ-GJZGRUSLSA-N 1 1 331.372 0.824 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867810188 589846939 /nfs/dbraw/zinc/84/69/39/589846939.db2.gz YHCFPAAFBXQGCA-UONOGXRCSA-N 1 1 330.454 0.119 20 30 ECEDMO C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867947330 589864525 /nfs/dbraw/zinc/86/45/25/589864525.db2.gz CTSYTQXBFQEMOC-NHYWBVRUSA-N 1 1 335.429 0.637 20 30 ECEDMO C#C[C@H](NC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000868514412 589911343 /nfs/dbraw/zinc/91/13/43/589911343.db2.gz WUZJLFJTENDMKP-DLBZAZTESA-N 1 1 334.464 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1 ZINC000888559162 590053449 /nfs/dbraw/zinc/05/34/49/590053449.db2.gz KSQJPGMSDULCTJ-UONOGXRCSA-N 1 1 346.435 0.136 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1 ZINC000888559162 590053452 /nfs/dbraw/zinc/05/34/52/590053452.db2.gz KSQJPGMSDULCTJ-UONOGXRCSA-N 1 1 346.435 0.136 20 30 ECEDMO N#Cc1cc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)co1 ZINC000864727819 590097572 /nfs/dbraw/zinc/09/75/72/590097572.db2.gz DJCSSLDFJFQRHR-UHFFFAOYSA-N 1 1 340.387 0.883 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000872492946 590121126 /nfs/dbraw/zinc/12/11/26/590121126.db2.gz MEOXJHUQHSEPLH-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000872492946 590121127 /nfs/dbraw/zinc/12/11/27/590121127.db2.gz MEOXJHUQHSEPLH-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1nn(-c2cccnc2)nc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000865198874 590133049 /nfs/dbraw/zinc/13/30/49/590133049.db2.gz NTSVSCVNEOKARC-UHFFFAOYSA-N 1 1 325.376 0.689 20 30 ECEDMO C#CCC[NH+]1CCN(c2nnnn2Cc2ccc(OC)cc2)CC1 ZINC000865504855 590147999 /nfs/dbraw/zinc/14/79/99/590147999.db2.gz BORHVHVNKMFPOE-UHFFFAOYSA-N 1 1 326.404 0.875 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1C#N ZINC000874174458 590224741 /nfs/dbraw/zinc/22/47/41/590224741.db2.gz KSMWCUQGQTUGGP-UONOGXRCSA-N 1 1 327.388 0.753 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000874456645 590241692 /nfs/dbraw/zinc/24/16/92/590241692.db2.gz NLAGISHEYKQPBE-BVFVFODLSA-N 1 1 332.404 0.646 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000874456645 590241693 /nfs/dbraw/zinc/24/16/93/590241693.db2.gz NLAGISHEYKQPBE-BVFVFODLSA-N 1 1 332.404 0.646 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000874997853 590261695 /nfs/dbraw/zinc/26/16/95/590261695.db2.gz YVHBSKJAMDBSCJ-DLBZAZTESA-N 1 1 343.427 0.532 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000875596245 590311830 /nfs/dbraw/zinc/31/18/30/590311830.db2.gz JGURZCXKGMFHMW-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000875595878 590312053 /nfs/dbraw/zinc/31/20/53/590312053.db2.gz FXIBNPGTMFVMMM-OAHLLOKOSA-N 1 1 334.420 0.585 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000875605801 590314935 /nfs/dbraw/zinc/31/49/35/590314935.db2.gz LGEHGYNOXYSIKE-OAHLLOKOSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N(C)CCN1CC2(C1)CCOCC2 ZINC000875623759 590316800 /nfs/dbraw/zinc/31/68/00/590316800.db2.gz UWBUCPAGURFBQK-UHFFFAOYSA-N 1 1 336.480 0.695 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N(C)CCN1CC2(C1)CCOCC2 ZINC000875623759 590316802 /nfs/dbraw/zinc/31/68/02/590316802.db2.gz UWBUCPAGURFBQK-UHFFFAOYSA-N 1 1 336.480 0.695 20 30 ECEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(CO)(CO)CC3)C2=O)cc1 ZINC000879970689 590356733 /nfs/dbraw/zinc/35/67/33/590356733.db2.gz YAINNSUICKZHLT-INIZCTEOSA-N 1 1 329.400 0.730 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)C1=O ZINC000879974556 590357398 /nfs/dbraw/zinc/35/73/98/590357398.db2.gz HZQXEWXQFBNFPI-QZWWFDLISA-N 1 1 349.475 0.905 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000880136042 590370729 /nfs/dbraw/zinc/37/07/29/590370729.db2.gz DRFONAPILBEJIK-KSZLIROESA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@H]2CCCN3C)CC1 ZINC000880136042 590370731 /nfs/dbraw/zinc/37/07/31/590370731.db2.gz DRFONAPILBEJIK-KSZLIROESA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H]3[C@H]2CCCN3C)CC1 ZINC000880136042 590370733 /nfs/dbraw/zinc/37/07/33/590370733.db2.gz DRFONAPILBEJIK-KSZLIROESA-N 1 1 347.507 0.847 20 30 ECEDMO N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC000876280613 590370898 /nfs/dbraw/zinc/37/08/98/590370898.db2.gz NMFBFXVEQBBRAZ-IXDOHACOSA-N 1 1 326.400 0.486 20 30 ECEDMO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000876782979 590415029 /nfs/dbraw/zinc/41/50/29/590415029.db2.gz XMOXCEUPYUMOOV-CQSZACIVSA-N 1 1 337.855 0.920 20 30 ECEDMO CCO[C@@H]1CN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C[C@H]1C[NH3+] ZINC000876948012 590428813 /nfs/dbraw/zinc/42/88/13/590428813.db2.gz CSLFTGFMVWHKHU-DJIMGWMZSA-N 1 1 328.416 0.567 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000127318027 590539186 /nfs/dbraw/zinc/53/91/86/590539186.db2.gz GIDPQMGYHMDNJH-UHFFFAOYSA-N 1 1 333.407 0.962 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)o1 ZINC000882635775 590566761 /nfs/dbraw/zinc/56/67/61/590566761.db2.gz KRVDJEATYUODLU-CQSZACIVSA-N 1 1 332.404 0.678 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2CC(=O)OC)CC1 ZINC000130342263 590594784 /nfs/dbraw/zinc/59/47/84/590594784.db2.gz ZCKWMRWCAXJYKP-UHFFFAOYSA-N 1 1 345.443 0.822 20 30 ECEDMO C#CCCCCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883511844 590623708 /nfs/dbraw/zinc/62/37/08/590623708.db2.gz ZSKDMKQSHGFRTH-KRWDZBQOSA-N 1 1 336.480 0.886 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883911994 590683415 /nfs/dbraw/zinc/68/34/15/590683415.db2.gz DXXALMSSCLJZKR-CVEARBPZSA-N 1 1 340.468 0.019 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885318476 590716257 /nfs/dbraw/zinc/71/62/57/590716257.db2.gz OYDUYNAKKLEGAH-COMQUAJESA-N 1 1 325.434 0.256 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885318476 590716258 /nfs/dbraw/zinc/71/62/58/590716258.db2.gz OYDUYNAKKLEGAH-COMQUAJESA-N 1 1 325.434 0.256 20 30 ECEDMO C[C@@H]1CN(CCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@@H](C)O1 ZINC000884183691 590765904 /nfs/dbraw/zinc/76/59/04/590765904.db2.gz UDUWZRFGZRKJLK-HJODHOHWSA-N 1 1 334.464 0.741 20 30 ECEDMO CCCCNC(=O)CN1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885932942 590782047 /nfs/dbraw/zinc/78/20/47/590782047.db2.gz FLRZMZIHEKGJRT-MRXNPFEDSA-N 1 1 336.480 0.965 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](Nc2cc(N3CCN(C)C(=O)C3)ncn2)C1 ZINC000884611912 590871125 /nfs/dbraw/zinc/87/11/25/590871125.db2.gz YEIMYYPFPUWTLF-AWEZNQCLSA-N 1 1 328.420 0.265 20 30 ECEDMO C#CCC1(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CCOCC1 ZINC000887666362 590988889 /nfs/dbraw/zinc/98/88/89/590988889.db2.gz OIVFGOSZOFAOTQ-UHFFFAOYSA-N 1 1 336.480 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[C@@]2(O)CCCOC2)C1 ZINC000890361679 591151064 /nfs/dbraw/zinc/15/10/64/591151064.db2.gz XPUQJQGMUBJEIJ-MAUKXSAKSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[C@@]2(O)CCCOC2)C1 ZINC000890361679 591151066 /nfs/dbraw/zinc/15/10/66/591151066.db2.gz XPUQJQGMUBJEIJ-MAUKXSAKSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@]2(CO)C[C@@H](OCC)C2(C)C)C1 ZINC000890367526 591152992 /nfs/dbraw/zinc/15/29/92/591152992.db2.gz NUOOAEALPCNQQC-HDMKZQKVSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@]2(CO)C[C@@H](OCC)C2(C)C)C1 ZINC000890367526 591152996 /nfs/dbraw/zinc/15/29/96/591152996.db2.gz NUOOAEALPCNQQC-HDMKZQKVSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@]2(CO)C[C@H](OCC)C2(C)C)C1 ZINC000890367527 591153131 /nfs/dbraw/zinc/15/31/31/591153131.db2.gz NUOOAEALPCNQQC-MPGHIAIKSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@]2(CO)C[C@H](OCC)C2(C)C)C1 ZINC000890367527 591153136 /nfs/dbraw/zinc/15/31/36/591153136.db2.gz NUOOAEALPCNQQC-MPGHIAIKSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946664521 611401272 /nfs/dbraw/zinc/40/12/72/611401272.db2.gz WQGPKQMTMYUEGX-OAGGEKHMSA-N 1 1 338.473 0.615 20 30 ECEDMO C#CCN(C(=O)NCCS(=O)(=O)CC=C)C1CC[NH+](C)CC1 ZINC000921902337 611324863 /nfs/dbraw/zinc/32/48/63/611324863.db2.gz YCJDKKDKYVRIPZ-UHFFFAOYSA-N 1 1 327.450 0.326 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)CC[C@@H]2C1 ZINC000946709972 611429273 /nfs/dbraw/zinc/42/92/73/611429273.db2.gz DKUZMEYQIUMDIQ-IYBDPMFKSA-N 1 1 334.464 0.165 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Nc1nnc(CC(=O)OCC)s1 ZINC000930516153 611438070 /nfs/dbraw/zinc/43/80/70/611438070.db2.gz UPSBVPBSYIUNID-UHFFFAOYSA-N 1 1 339.421 0.720 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc4c3nnn4C)CC[C@@H]2C1 ZINC000946739774 611445225 /nfs/dbraw/zinc/44/52/25/611445225.db2.gz CCHJKBHOQBHJFW-OKILXGFUSA-N 1 1 338.415 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000930768556 611462801 /nfs/dbraw/zinc/46/28/01/611462801.db2.gz IHUFZVKVMUHKST-KRXQYRFLSA-N 1 1 335.448 0.494 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)cc1 ZINC000930824869 611469447 /nfs/dbraw/zinc/46/94/47/611469447.db2.gz GSJSIUTYILQDDM-ZBFHGGJFSA-N 1 1 330.384 0.852 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC000931091922 611505704 /nfs/dbraw/zinc/50/57/04/611505704.db2.gz AHXMJUHGFHRJPS-AWEZNQCLSA-N 1 1 332.404 0.463 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC000947467776 611548794 /nfs/dbraw/zinc/54/87/94/611548794.db2.gz MVKHQTHRMKNKBF-INIZCTEOSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC000947467776 611548797 /nfs/dbraw/zinc/54/87/97/611548797.db2.gz MVKHQTHRMKNKBF-INIZCTEOSA-N 1 1 346.406 0.972 20 30 ECEDMO COC1(OC)CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1O ZINC000931641828 611560667 /nfs/dbraw/zinc/56/06/67/611560667.db2.gz JCNXGCNULYMJRP-NFAWXSAZSA-N 1 1 327.425 0.485 20 30 ECEDMO COC1(OC)CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1O ZINC000931641828 611560669 /nfs/dbraw/zinc/56/06/69/611560669.db2.gz JCNXGCNULYMJRP-NFAWXSAZSA-N 1 1 327.425 0.485 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC000948416867 611583031 /nfs/dbraw/zinc/58/30/31/611583031.db2.gz RFFNJDAHTAEFSM-GJZGRUSLSA-N 1 1 333.432 0.860 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C ZINC000947598177 611613226 /nfs/dbraw/zinc/61/32/26/611613226.db2.gz LMGDZUNMNASZIB-YPMHNXCESA-N 1 1 344.423 0.853 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C ZINC000947599778 611614178 /nfs/dbraw/zinc/61/41/78/611614178.db2.gz ZJNNSNYYPZPIMT-AAEUAGOBSA-N 1 1 342.407 0.300 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[C@@H](C)N1CC#N ZINC000927632046 611621119 /nfs/dbraw/zinc/62/11/19/611621119.db2.gz ZNUUULZPJPYMNH-INMHGKMJSA-N 1 1 349.479 0.867 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C ZINC000947369848 608601050 /nfs/dbraw/zinc/60/10/50/608601050.db2.gz QAONJTGXKDEALI-UONOGXRCSA-N 1 1 334.420 0.092 20 30 ECEDMO C=C(C)Cn1c(-c2ncon2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000909330111 608611258 /nfs/dbraw/zinc/61/12/58/608611258.db2.gz ARFRKAFNVZCEPK-GFCCVEGCSA-N 1 1 331.380 0.425 20 30 ECEDMO C=C(C)Cn1c(-c2ncon2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000909330111 608611261 /nfs/dbraw/zinc/61/12/61/608611261.db2.gz ARFRKAFNVZCEPK-GFCCVEGCSA-N 1 1 331.380 0.425 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ncoc2C)CC1 ZINC000947229359 608791698 /nfs/dbraw/zinc/79/16/98/608791698.db2.gz AWCWDWOTGLVYIZ-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ncoc2C)CC1 ZINC000947229359 608791700 /nfs/dbraw/zinc/79/17/00/608791700.db2.gz AWCWDWOTGLVYIZ-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2nonc2C)CC1 ZINC000947286994 608841512 /nfs/dbraw/zinc/84/15/12/608841512.db2.gz ZTGSSVXHKZNHPF-AWEZNQCLSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2nonc2C)CC1 ZINC000947286994 608841517 /nfs/dbraw/zinc/84/15/17/608841517.db2.gz ZTGSSVXHKZNHPF-AWEZNQCLSA-N 1 1 345.403 0.196 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C ZINC000947524269 608858811 /nfs/dbraw/zinc/85/88/11/608858811.db2.gz QYQLJWPEWFVDSS-KGLIPLIRSA-N 1 1 334.420 0.658 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)N2CCOCC2)c1 ZINC000052131003 608863161 /nfs/dbraw/zinc/86/31/61/608863161.db2.gz AQVLCHGXDLZMML-UHFFFAOYSA-N 1 1 329.400 0.787 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)N2CCOCC2)c1 ZINC000052131003 608863164 /nfs/dbraw/zinc/86/31/64/608863164.db2.gz AQVLCHGXDLZMML-UHFFFAOYSA-N 1 1 329.400 0.787 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000936914537 608914576 /nfs/dbraw/zinc/91/45/76/608914576.db2.gz WMVOIITZRWGHIF-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO O=C(NCC#CCO)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000923776281 608922964 /nfs/dbraw/zinc/92/29/64/608922964.db2.gz QEKUPTVUDYSFRY-IAGOWNOFSA-N 1 1 331.416 0.164 20 30 ECEDMO O=C(NCC#CCO)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000923777633 608928617 /nfs/dbraw/zinc/92/86/17/608928617.db2.gz LJYUCPCLLXDIHN-IAGOWNOFSA-N 1 1 331.416 0.164 20 30 ECEDMO N#CCCN1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000925169221 608942366 /nfs/dbraw/zinc/94/23/66/608942366.db2.gz KAUGVRLDGAMHLQ-CABCVRRESA-N 1 1 337.493 0.807 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccccc1C#N ZINC000947309574 608947665 /nfs/dbraw/zinc/94/76/65/608947665.db2.gz FVKGEDLVFLWAER-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000932819257 611674577 /nfs/dbraw/zinc/67/45/77/611674577.db2.gz MWKXUFAIDPOWLF-UHFFFAOYSA-N 1 1 332.404 0.416 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C[C@H]1C ZINC000947731508 609011040 /nfs/dbraw/zinc/01/10/40/609011040.db2.gz MTQQKFWGINJKGM-KGLIPLIRSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1=O ZINC000948634425 611674111 /nfs/dbraw/zinc/67/41/11/611674111.db2.gz ZYKCBMIBRLIQMV-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000937224404 609061706 /nfs/dbraw/zinc/06/17/06/609061706.db2.gz OLDJIIIYZKJIAF-SJORKVTESA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000937224404 609061710 /nfs/dbraw/zinc/06/17/10/609061710.db2.gz OLDJIIIYZKJIAF-SJORKVTESA-N 1 1 343.427 0.979 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CCc2ccccc21)NC[C@H]1CN2CCN1CC2 ZINC000179204747 609102668 /nfs/dbraw/zinc/10/26/68/609102668.db2.gz TWXUWRQWZJQUQN-IRXDYDNUSA-N 1 1 327.476 0.881 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](CC#N)C(F)(F)F)CC1 ZINC000932925755 611685447 /nfs/dbraw/zinc/68/54/47/611685447.db2.gz VJNKDWDCFZQYNK-JTQLQIEISA-N 1 1 335.330 0.341 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000928453348 611690328 /nfs/dbraw/zinc/69/03/28/611690328.db2.gz JXOFXRPDNUCQEA-DOMZBBRYSA-N 1 1 337.445 0.973 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)[C@@H](C)C2)nn1 ZINC000947792589 611692658 /nfs/dbraw/zinc/69/26/58/611692658.db2.gz OVAKAMZWEZHURG-KBPBESRZSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)[C@@H](C)C2)nn1 ZINC000947792589 611692661 /nfs/dbraw/zinc/69/26/61/611692661.db2.gz OVAKAMZWEZHURG-KBPBESRZSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000937893826 609367795 /nfs/dbraw/zinc/36/77/95/609367795.db2.gz HNJGRDGSPGYEKK-XUXIUFHCSA-N 1 1 339.386 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000937893826 609367797 /nfs/dbraw/zinc/36/77/97/609367797.db2.gz HNJGRDGSPGYEKK-XUXIUFHCSA-N 1 1 339.386 0.702 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000938170062 609481286 /nfs/dbraw/zinc/48/12/86/609481286.db2.gz CIVFNAUPRRVJJH-ULQDDVLXSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000938173000 609486886 /nfs/dbraw/zinc/48/68/86/609486886.db2.gz JYAFTSOUPGQFDO-BIVLZKPYSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000938173000 609486888 /nfs/dbraw/zinc/48/68/88/609486888.db2.gz JYAFTSOUPGQFDO-BIVLZKPYSA-N 1 1 329.444 0.847 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H]1C[C@H](O)C[N@H+]1C ZINC000919948815 609665963 /nfs/dbraw/zinc/66/59/63/609665963.db2.gz WULILOKDKVQMGM-CABCVRRESA-N 1 1 337.445 0.660 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000919948815 609665965 /nfs/dbraw/zinc/66/59/65/609665965.db2.gz WULILOKDKVQMGM-CABCVRRESA-N 1 1 337.445 0.660 20 30 ECEDMO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C#N)c1 ZINC000919974956 609667605 /nfs/dbraw/zinc/66/76/05/609667605.db2.gz RFHSLDDZUVDLTF-ZFWWWQNUSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c(C#N)c1 ZINC000919974956 609667606 /nfs/dbraw/zinc/66/76/06/609667606.db2.gz RFHSLDDZUVDLTF-ZFWWWQNUSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000919999580 609669586 /nfs/dbraw/zinc/66/95/86/609669586.db2.gz KJNKPKYZQGREIV-ZFWWWQNUSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000919999580 609669588 /nfs/dbraw/zinc/66/95/88/609669588.db2.gz KJNKPKYZQGREIV-ZFWWWQNUSA-N 1 1 336.461 0.779 20 30 ECEDMO C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@H]1C[N@H+](C)CCN1C ZINC000920001964 609670532 /nfs/dbraw/zinc/67/05/32/609670532.db2.gz YYFYXMGMANMOIX-SMDDNHRTSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@H]1C[N@@H+](C)CCN1C ZINC000920001964 609670534 /nfs/dbraw/zinc/67/05/34/609670534.db2.gz YYFYXMGMANMOIX-SMDDNHRTSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@H]1C[N@H+](C)CCN1C ZINC000920017269 609670764 /nfs/dbraw/zinc/67/07/64/609670764.db2.gz APAIVAUVYQXGTL-CZUORRHYSA-N 1 1 336.461 0.612 20 30 ECEDMO C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000920017269 609670767 /nfs/dbraw/zinc/67/07/67/609670767.db2.gz APAIVAUVYQXGTL-CZUORRHYSA-N 1 1 336.461 0.612 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000920116527 609674000 /nfs/dbraw/zinc/67/40/00/609674000.db2.gz CWUFLWAMDWYGKY-KBAYOESNSA-N 1 1 345.443 0.959 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000920116527 609674002 /nfs/dbraw/zinc/67/40/02/609674002.db2.gz CWUFLWAMDWYGKY-KBAYOESNSA-N 1 1 345.443 0.959 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920210117 609675140 /nfs/dbraw/zinc/67/51/40/609675140.db2.gz PNDJOQGWIWPYCP-SUMWQHHRSA-N 1 1 338.452 0.250 20 30 ECEDMO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC#CCN(C)C)CC1=O ZINC000913518695 609685044 /nfs/dbraw/zinc/68/50/44/609685044.db2.gz XNXOOQPCQOUHQT-CVEARBPZSA-N 1 1 334.464 0.000 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC#CCN(C)C)CC1=O ZINC000913518695 609685046 /nfs/dbraw/zinc/68/50/46/609685046.db2.gz XNXOOQPCQOUHQT-CVEARBPZSA-N 1 1 334.464 0.000 20 30 ECEDMO C=C(C)Cn1c(-c2cnsn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000909316821 609691576 /nfs/dbraw/zinc/69/15/76/609691576.db2.gz NBIAMHHUXTVDOG-LBPRGKRZSA-N 1 1 347.448 0.894 20 30 ECEDMO C=C(C)Cn1c(-c2cnsn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000909316821 609691578 /nfs/dbraw/zinc/69/15/78/609691578.db2.gz NBIAMHHUXTVDOG-LBPRGKRZSA-N 1 1 347.448 0.894 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000923595093 609779012 /nfs/dbraw/zinc/77/90/12/609779012.db2.gz PCICKAXYAQRPCN-KFWWJZLASA-N 1 1 331.416 0.375 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000923595093 609779013 /nfs/dbraw/zinc/77/90/13/609779013.db2.gz PCICKAXYAQRPCN-KFWWJZLASA-N 1 1 331.416 0.375 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@H](C(=O)OCC)C2)C1 ZINC000923595528 609801250 /nfs/dbraw/zinc/80/12/50/609801250.db2.gz UQZZMFCVVHSUST-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@H](C(=O)OCC)C2)C1 ZINC000923595528 609801252 /nfs/dbraw/zinc/80/12/52/609801252.db2.gz UQZZMFCVVHSUST-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nccs2)C1 ZINC000938517619 609830807 /nfs/dbraw/zinc/83/08/07/609830807.db2.gz HAICYMYBYLFFBY-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nccs2)C1 ZINC000938517619 609830808 /nfs/dbraw/zinc/83/08/08/609830808.db2.gz HAICYMYBYLFFBY-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC000938529962 609844731 /nfs/dbraw/zinc/84/47/31/609844731.db2.gz FPLRYIDLFKNZHP-UKRRQHHQSA-N 1 1 346.435 0.231 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938539579 609857517 /nfs/dbraw/zinc/85/75/17/609857517.db2.gz KLIDGGMDEUGWBO-OCCSQVGLSA-N 1 1 329.404 0.511 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938545507 609860299 /nfs/dbraw/zinc/86/02/99/609860299.db2.gz GYSHILZYQRQXCH-OAHLLOKOSA-N 1 1 340.387 0.764 20 30 ECEDMO C[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000914307647 609876934 /nfs/dbraw/zinc/87/69/34/609876934.db2.gz GWQYGSFTMDKDIC-HUUCEWRRSA-N 1 1 342.509 0.824 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)c2cccc(C#CCO)c2)C1 ZINC000911859285 609916116 /nfs/dbraw/zinc/91/61/16/609916116.db2.gz HUMRUDDNAGWOPN-UHFFFAOYSA-N 1 1 346.427 0.450 20 30 ECEDMO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000911872505 609917536 /nfs/dbraw/zinc/91/75/36/609917536.db2.gz OVAACSXUNDEGMI-QGZVFWFLSA-N 1 1 330.432 0.543 20 30 ECEDMO CCN1CCN([C@H](C)CNC(NC(C)(C)C)=[NH+]CCOC)CC1 ZINC000912507135 609963141 /nfs/dbraw/zinc/96/31/41/609963141.db2.gz VOWOVKDBDPDSMX-OAHLLOKOSA-N 1 1 327.517 0.993 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cnco2)C1 ZINC000938755202 609973937 /nfs/dbraw/zinc/97/39/37/609973937.db2.gz YCQALQMTIQLMLE-KBPBESRZSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cnco2)C1 ZINC000938755202 609973939 /nfs/dbraw/zinc/97/39/39/609973939.db2.gz YCQALQMTIQLMLE-KBPBESRZSA-N 1 1 330.388 0.445 20 30 ECEDMO C[C@@H]1CN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C[C@@H](C)N1CC#N ZINC000918622737 610012718 /nfs/dbraw/zinc/01/27/18/610012718.db2.gz YHYCGRUZEOPAON-OAGGEKHMSA-N 1 1 340.493 0.720 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000938968745 610058702 /nfs/dbraw/zinc/05/87/02/610058702.db2.gz NNABVSPPJMKRBL-CVEARBPZSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939934591 610171186 /nfs/dbraw/zinc/17/11/86/610171186.db2.gz WQGVKSKIDLKDEL-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939934591 610171187 /nfs/dbraw/zinc/17/11/87/610171187.db2.gz WQGVKSKIDLKDEL-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)c1 ZINC000940007680 610184727 /nfs/dbraw/zinc/18/47/27/610184727.db2.gz QYEHEHBDSMSLSA-XYPHTWIQSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2conc2C)C1 ZINC000939412342 610193999 /nfs/dbraw/zinc/19/39/99/610193999.db2.gz WCOCFRIYRWJESE-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2conc2C)C1 ZINC000939412342 610194000 /nfs/dbraw/zinc/19/40/00/610194000.db2.gz WCOCFRIYRWJESE-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC000940190408 610237679 /nfs/dbraw/zinc/23/76/79/610237679.db2.gz VVFNFHURWADYLM-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC000940190408 610237682 /nfs/dbraw/zinc/23/76/82/610237682.db2.gz VVFNFHURWADYLM-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000940288089 610259902 /nfs/dbraw/zinc/25/99/02/610259902.db2.gz OZBIJHSEUHTNAM-XJKCOSOUSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN(C(=O)CC)C3)CC2)C1 ZINC000941422460 610307661 /nfs/dbraw/zinc/30/76/61/610307661.db2.gz NKWFVGJQMSRCPS-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@@H]3C(C)C)CC2)C1 ZINC000941433420 610313468 /nfs/dbraw/zinc/31/34/68/610313468.db2.gz VAWDYNZAZTVYMX-QZTJIDSGSA-N 1 1 333.476 0.899 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)C1 ZINC000941437242 610315140 /nfs/dbraw/zinc/31/51/40/610315140.db2.gz XBQUUGNAEZKIOB-GOSISDBHSA-N 1 1 345.491 0.745 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)C1 ZINC000941455729 610318114 /nfs/dbraw/zinc/31/81/14/610318114.db2.gz BXKTWKQZSVBGIA-RDJZCZTQSA-N 1 1 331.464 0.355 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)C1 ZINC000941462762 610321505 /nfs/dbraw/zinc/32/15/05/610321505.db2.gz DSSGZXJRGPKHBM-HNNXBMFYSA-N 1 1 329.448 0.460 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)C1 ZINC000941463075 610321776 /nfs/dbraw/zinc/32/17/76/610321776.db2.gz LDXUHTLCKDCINN-INIZCTEOSA-N 1 1 343.475 0.850 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000941463479 610321788 /nfs/dbraw/zinc/32/17/88/610321788.db2.gz YCMFDRAYZHLLIJ-OAHLLOKOSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(OCC)n[nH]3)CC2)C1 ZINC000941452504 610326377 /nfs/dbraw/zinc/32/63/77/610326377.db2.gz ZNCQFBQKBHVEMB-UHFFFAOYSA-N 1 1 331.420 0.274 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940656535 610326469 /nfs/dbraw/zinc/32/64/69/610326469.db2.gz DCPBBHPYPKLGLC-UONOGXRCSA-N 1 1 331.420 0.981 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC000941471971 610330167 /nfs/dbraw/zinc/33/01/67/610330167.db2.gz QNWURDQTUFLTDO-UHFFFAOYSA-N 1 1 334.464 0.403 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cccn4nccc34)CC2)C1 ZINC000941471738 610330315 /nfs/dbraw/zinc/33/03/15/610330315.db2.gz JHIWRFVOTJJFOA-UHFFFAOYSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C(=O)Nc3ccccc3)CC2)C1 ZINC000941472447 610330665 /nfs/dbraw/zinc/33/06/65/610330665.db2.gz YEZIAHJPCYNGGI-UHFFFAOYSA-N 1 1 340.427 0.477 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000940692147 610332359 /nfs/dbraw/zinc/33/23/59/610332359.db2.gz VOCIJRQOQOANII-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000940692651 610332680 /nfs/dbraw/zinc/33/26/80/610332680.db2.gz CMOYCZXSDZTUJY-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](C)C1 ZINC000942259991 610364981 /nfs/dbraw/zinc/36/49/81/610364981.db2.gz VCSQQNCHEXRXEM-WDEREUQCSA-N 1 1 327.406 0.553 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940781937 610368992 /nfs/dbraw/zinc/36/89/92/610368992.db2.gz FAHIEVVTKMMHLX-GJZGRUSLSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)C(C)(C)C1 ZINC000940826861 610384389 /nfs/dbraw/zinc/38/43/89/610384389.db2.gz UJAXVWRKURJLFL-CYBMUJFWSA-N 1 1 326.404 0.896 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000940846585 610397713 /nfs/dbraw/zinc/39/77/13/610397713.db2.gz CCBNJXLSEOYNKB-HNNXBMFYSA-N 1 1 336.480 0.553 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940846640 610397755 /nfs/dbraw/zinc/39/77/55/610397755.db2.gz DTKXWLLSMJHPGM-KGLIPLIRSA-N 1 1 345.447 0.786 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)CC2)C1 ZINC000941603252 610403309 /nfs/dbraw/zinc/40/33/09/610403309.db2.gz HDXSYIGSFGPIPQ-ROUUACIJSA-N 1 1 331.460 0.819 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC000941636606 610422383 /nfs/dbraw/zinc/42/23/83/610422383.db2.gz ORIXTJKSEDAAMQ-CQSZACIVSA-N 1 1 344.463 0.314 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC000941638287 610423502 /nfs/dbraw/zinc/42/35/02/610423502.db2.gz AUBQUUSSRGHVCK-HNNXBMFYSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CC(C)(C)O)CC1 ZINC000940896535 610423893 /nfs/dbraw/zinc/42/38/93/610423893.db2.gz IZEPUCCMZJTHFZ-HNNXBMFYSA-N 1 1 335.448 0.306 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CC(C)(C)O)CC1 ZINC000940896535 610423896 /nfs/dbraw/zinc/42/38/96/610423896.db2.gz IZEPUCCMZJTHFZ-HNNXBMFYSA-N 1 1 335.448 0.306 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)CC2)C1 ZINC000941622864 610427060 /nfs/dbraw/zinc/42/70/60/610427060.db2.gz OVYKSDKGGWEJIS-HNNXBMFYSA-N 1 1 331.464 0.613 20 30 ECEDMO C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908795 610428693 /nfs/dbraw/zinc/42/86/93/610428693.db2.gz PTOXZVNKDFTAPF-BHEGOAEISA-N 1 1 331.460 0.700 20 30 ECEDMO C#CCN1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908795 610428695 /nfs/dbraw/zinc/42/86/95/610428695.db2.gz PTOXZVNKDFTAPF-BHEGOAEISA-N 1 1 331.460 0.700 20 30 ECEDMO C#CCN1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908795 610428698 /nfs/dbraw/zinc/42/86/98/610428698.db2.gz PTOXZVNKDFTAPF-BHEGOAEISA-N 1 1 331.460 0.700 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000941648963 610440201 /nfs/dbraw/zinc/44/02/01/610440201.db2.gz JPJPYKIAFJMXKN-HNNXBMFYSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000941672298 610445672 /nfs/dbraw/zinc/44/56/72/610445672.db2.gz CXIZAUIQMZYAIE-ZACQAIPSSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)CC2)C1 ZINC000941675101 610447951 /nfs/dbraw/zinc/44/79/51/610447951.db2.gz SZWZFBGYMDSUAD-OAHLLOKOSA-N 1 1 344.463 0.163 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000941678043 610450946 /nfs/dbraw/zinc/45/09/46/610450946.db2.gz UMGRHDZEKFIYGE-HZPDHXFCSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC000941690340 610465741 /nfs/dbraw/zinc/46/57/41/610465741.db2.gz JAPGUWNQGDGYDU-UHFFFAOYSA-N 1 1 330.436 0.072 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)no1 ZINC000941003812 610488489 /nfs/dbraw/zinc/48/84/89/610488489.db2.gz HIMCARXITIHMAS-UHFFFAOYSA-N 1 1 344.415 0.824 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941791035 610510474 /nfs/dbraw/zinc/51/04/74/610510474.db2.gz QLBRBRBRLQQCOP-NVXWUHKLSA-N 1 1 338.415 0.551 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941791458 610510707 /nfs/dbraw/zinc/51/07/07/610510707.db2.gz UBQLBNZYPIOQHK-CJNGLKHVSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000941103426 610538089 /nfs/dbraw/zinc/53/80/89/610538089.db2.gz ZDZVRLYYHAKNNL-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000941106075 610539143 /nfs/dbraw/zinc/53/91/43/610539143.db2.gz RBDYSAGLVUPLAF-ZDUSSCGKSA-N 1 1 336.436 0.721 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929370 610566985 /nfs/dbraw/zinc/56/69/85/610566985.db2.gz LLRDFXXSTJYJPB-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929205 610567001 /nfs/dbraw/zinc/56/70/01/610567001.db2.gz JINJSFPFLPTUOO-SMDDNHRTSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929205 610567003 /nfs/dbraw/zinc/56/70/03/610567003.db2.gz JINJSFPFLPTUOO-SMDDNHRTSA-N 1 1 327.392 0.655 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000941162355 610570122 /nfs/dbraw/zinc/57/01/22/610570122.db2.gz ZDQITGAGUNXTJB-ZDUSSCGKSA-N 1 1 336.436 0.673 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941942398 610571756 /nfs/dbraw/zinc/57/17/56/610571756.db2.gz IODQVQPTEAUYLW-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000941145275 610572315 /nfs/dbraw/zinc/57/23/15/610572315.db2.gz NUKSROIPYZXCFX-CYBMUJFWSA-N 1 1 348.447 0.557 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)cn1 ZINC000941168738 610582657 /nfs/dbraw/zinc/58/26/57/610582657.db2.gz GAVKWDQXNKTOLL-CVEARBPZSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000941969926 610583041 /nfs/dbraw/zinc/58/30/41/610583041.db2.gz DEYGFTCHKBGYQC-IAGOWNOFSA-N 1 1 325.412 0.950 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc3nccc(C)n3n2)C(C)(C)C1 ZINC000941199134 610589371 /nfs/dbraw/zinc/58/93/71/610589371.db2.gz KLSZRCHNTHPMJQ-CYBMUJFWSA-N 1 1 326.404 0.896 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000941206838 610596266 /nfs/dbraw/zinc/59/62/66/610596266.db2.gz OGWGNMBAOSNYLC-LLVKDONJSA-N 1 1 342.827 0.507 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000941206838 610596268 /nfs/dbraw/zinc/59/62/68/610596268.db2.gz OGWGNMBAOSNYLC-LLVKDONJSA-N 1 1 342.827 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC000941241026 610613882 /nfs/dbraw/zinc/61/38/82/610613882.db2.gz RMLRXJGJMBOLJO-RVKKMQEKSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC000941241026 610613885 /nfs/dbraw/zinc/61/38/85/610613885.db2.gz RMLRXJGJMBOLJO-RVKKMQEKSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2conc2C)C1 ZINC000941242161 610615172 /nfs/dbraw/zinc/61/51/72/610615172.db2.gz XOAUJUXUKNDCCC-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2conc2C)C1 ZINC000941242161 610615174 /nfs/dbraw/zinc/61/51/74/610615174.db2.gz XOAUJUXUKNDCCC-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000941245298 610616123 /nfs/dbraw/zinc/61/61/23/610616123.db2.gz MFUZOLVTMLLZLO-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000941245799 610616575 /nfs/dbraw/zinc/61/65/75/610616575.db2.gz VIUYDHZVLQVGTK-CABCVRRESA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000941245799 610616578 /nfs/dbraw/zinc/61/65/78/610616578.db2.gz VIUYDHZVLQVGTK-CABCVRRESA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)ncn2)C1 ZINC000941237771 610621423 /nfs/dbraw/zinc/62/14/23/610621423.db2.gz JGBJNZAPCYTFFB-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)ncn2)C1 ZINC000941237771 610621426 /nfs/dbraw/zinc/62/14/26/610621426.db2.gz JGBJNZAPCYTFFB-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnccc2C)C1 ZINC000941238051 610622014 /nfs/dbraw/zinc/62/20/14/610622014.db2.gz QZTLIEXSIJSPJU-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnccc2C)C1 ZINC000941238051 610622016 /nfs/dbraw/zinc/62/20/16/610622016.db2.gz QZTLIEXSIJSPJU-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 ZINC000942053610 610630695 /nfs/dbraw/zinc/63/06/95/610630695.db2.gz RMZVFRRABWSGNH-ONGXEEELSA-N 1 1 343.229 0.408 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 ZINC000942053610 610630697 /nfs/dbraw/zinc/63/06/97/610630697.db2.gz RMZVFRRABWSGNH-ONGXEEELSA-N 1 1 343.229 0.408 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 ZINC000942099252 610653556 /nfs/dbraw/zinc/65/35/56/610653556.db2.gz IOJMOBIFSGLPDR-ZIAGYGMSSA-N 1 1 329.466 0.425 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@H](C)C1 ZINC000942164112 610682471 /nfs/dbraw/zinc/68/24/71/610682471.db2.gz QXNLINKKMWATMJ-ZIAGYGMSSA-N 1 1 326.404 0.896 20 30 ECEDMO Cc1ncsc1CC[NH+]1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000941349593 610686068 /nfs/dbraw/zinc/68/60/68/610686068.db2.gz ZEMINROVGKEXDD-CYBMUJFWSA-N 1 1 347.488 0.982 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3ccc(OC)nn32)[C@@H](C)C1 ZINC000942197414 610692646 /nfs/dbraw/zinc/69/26/46/610692646.db2.gz VTUJRBGOYQVYQG-STQMWFEESA-N 1 1 327.388 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2CCOC2)C1 ZINC000942950364 610700198 /nfs/dbraw/zinc/70/01/98/610700198.db2.gz FWWKLAQLPWXISQ-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2CCOC2)C1 ZINC000942950364 610700200 /nfs/dbraw/zinc/70/02/00/610700200.db2.gz FWWKLAQLPWXISQ-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H](C)C1 ZINC000944134324 610751225 /nfs/dbraw/zinc/75/12/25/610751225.db2.gz CRBRXRRAKIWNLD-MNOVXSKESA-N 1 1 334.376 0.360 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000943229764 610755552 /nfs/dbraw/zinc/75/55/52/610755552.db2.gz DGINRGXADULXAX-JSGCOSHPSA-N 1 1 334.420 0.100 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 ZINC000944810762 610795227 /nfs/dbraw/zinc/79/52/27/610795227.db2.gz KSSBEIXUSDNFFU-KGLIPLIRSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ncccn1 ZINC000944228934 610798166 /nfs/dbraw/zinc/79/81/66/610798166.db2.gz KAXGLAPEUPAGAI-CABCVRRESA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ncccn1 ZINC000944228934 610798169 /nfs/dbraw/zinc/79/81/69/610798169.db2.gz KAXGLAPEUPAGAI-CABCVRRESA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2cnco2)C1 ZINC000943336869 610807328 /nfs/dbraw/zinc/80/73/28/610807328.db2.gz OFNXCSFYNIGKAD-GJZGRUSLSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2cnco2)C1 ZINC000943336869 610807330 /nfs/dbraw/zinc/80/73/30/610807330.db2.gz OFNXCSFYNIGKAD-GJZGRUSLSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2cnco2)C1 ZINC000943336868 610807379 /nfs/dbraw/zinc/80/73/79/610807379.db2.gz OFNXCSFYNIGKAD-CABCVRRESA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2cnco2)C1 ZINC000943336868 610807381 /nfs/dbraw/zinc/80/73/81/610807381.db2.gz OFNXCSFYNIGKAD-CABCVRRESA-N 1 1 344.415 0.883 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](C)C1 ZINC000943513816 610881243 /nfs/dbraw/zinc/88/12/43/610881243.db2.gz AHROYQRQSLOAPX-CABCVRRESA-N 1 1 346.435 0.029 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC000945035154 610890388 /nfs/dbraw/zinc/89/03/88/610890388.db2.gz KGGMCZYYKAOTOA-GJZGRUSLSA-N 1 1 332.448 0.939 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC000943966703 611052749 /nfs/dbraw/zinc/05/27/49/611052749.db2.gz PANZIQCYUZYIPU-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC000944026172 611093033 /nfs/dbraw/zinc/09/30/33/611093033.db2.gz AGRXUMTUEGDLMI-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](C)C1 ZINC000944034591 611098179 /nfs/dbraw/zinc/09/81/79/611098179.db2.gz VWCCUAHFEAPJCS-UONOGXRCSA-N 1 1 333.436 0.394 20 30 ECEDMO C=CCn1cc(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)nn1 ZINC000922956020 611186362 /nfs/dbraw/zinc/18/63/62/611186362.db2.gz UBXKLULRAQUNAY-ZIAGYGMSSA-N 1 1 336.465 0.843 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CC[C@@H]2C1 ZINC000946859650 611202810 /nfs/dbraw/zinc/20/28/10/611202810.db2.gz YVRQKVIZJYPWLX-TXEJJXNPSA-N 1 1 346.387 0.314 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923282288 611224261 /nfs/dbraw/zinc/22/42/61/611224261.db2.gz MBWXUCDZYWDAOW-ZWKOTPCHSA-N 1 1 342.443 0.735 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000923282288 611224263 /nfs/dbraw/zinc/22/42/63/611224263.db2.gz MBWXUCDZYWDAOW-ZWKOTPCHSA-N 1 1 342.443 0.735 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000923282288 611224264 /nfs/dbraw/zinc/22/42/64/611224264.db2.gz MBWXUCDZYWDAOW-ZWKOTPCHSA-N 1 1 342.443 0.735 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000923334418 611230699 /nfs/dbraw/zinc/23/06/99/611230699.db2.gz XDVOFTXURHWKOV-DLBZAZTESA-N 1 1 328.416 0.488 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC[C@@H]2C1 ZINC000946899182 611241108 /nfs/dbraw/zinc/24/11/08/611241108.db2.gz CZRVMJNPHMJMPW-OWCLPIDISA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3c(OC)ncnc3OC)CC[C@@H]2C1 ZINC000946911432 611253433 /nfs/dbraw/zinc/25/34/33/611253433.db2.gz UEEZRJLYDCFCEB-OKILXGFUSA-N 1 1 344.415 0.911 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1 ZINC000923552963 611259877 /nfs/dbraw/zinc/25/98/77/611259877.db2.gz GLYJZYFMRZDUDV-CVEARBPZSA-N 1 1 347.390 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1 ZINC000923552963 611259879 /nfs/dbraw/zinc/25/98/79/611259879.db2.gz GLYJZYFMRZDUDV-CVEARBPZSA-N 1 1 347.390 0.130 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)C1 ZINC000923571916 611265164 /nfs/dbraw/zinc/26/51/64/611265164.db2.gz TXZITOULWYJRGA-GJZGRUSLSA-N 1 1 341.477 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)C1 ZINC000923571916 611265166 /nfs/dbraw/zinc/26/51/66/611265166.db2.gz TXZITOULWYJRGA-GJZGRUSLSA-N 1 1 341.477 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)C1 ZINC000923578476 611266887 /nfs/dbraw/zinc/26/68/87/611266887.db2.gz GNCHWWQAPJPSMS-ZDUSSCGKSA-N 1 1 327.388 0.087 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)C1 ZINC000923578476 611266889 /nfs/dbraw/zinc/26/68/89/611266889.db2.gz GNCHWWQAPJPSMS-ZDUSSCGKSA-N 1 1 327.388 0.087 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)C1 ZINC000923584281 611267823 /nfs/dbraw/zinc/26/78/23/611267823.db2.gz GCAPQKPAYBLTKJ-HUUCEWRRSA-N 1 1 331.420 0.116 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)C1 ZINC000923584281 611267825 /nfs/dbraw/zinc/26/78/25/611267825.db2.gz GCAPQKPAYBLTKJ-HUUCEWRRSA-N 1 1 331.420 0.116 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1 ZINC000923580417 611268682 /nfs/dbraw/zinc/26/86/82/611268682.db2.gz CAQUNCINZKJDQX-LBPRGKRZSA-N 1 1 339.392 0.301 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1 ZINC000923580417 611268684 /nfs/dbraw/zinc/26/86/84/611268684.db2.gz CAQUNCINZKJDQX-LBPRGKRZSA-N 1 1 339.392 0.301 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC)ccc2C)C1 ZINC000923589437 611270474 /nfs/dbraw/zinc/27/04/74/611270474.db2.gz RECRFAJEDIPTDU-CQSZACIVSA-N 1 1 349.456 0.731 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC)ccc2C)C1 ZINC000923589437 611270476 /nfs/dbraw/zinc/27/04/76/611270476.db2.gz RECRFAJEDIPTDU-CQSZACIVSA-N 1 1 349.456 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)c3ccc(C)cc3C2=O)C1 ZINC000923592334 611271565 /nfs/dbraw/zinc/27/15/65/611271565.db2.gz MTFZQLQKNPFMAY-AWEZNQCLSA-N 1 1 339.395 0.805 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)c3ccc(C)cc3C2=O)C1 ZINC000923592334 611271567 /nfs/dbraw/zinc/27/15/67/611271567.db2.gz MTFZQLQKNPFMAY-AWEZNQCLSA-N 1 1 339.395 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)OC)CC[C@@H]3C2)C1=O ZINC000946505790 611287571 /nfs/dbraw/zinc/28/75/71/611287571.db2.gz IZQSETIOAMPPAE-WCXIOVBPSA-N 1 1 349.475 0.979 20 30 ECEDMO [NH3+]Cc1noc(CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 ZINC000842651377 611319034 /nfs/dbraw/zinc/31/90/34/611319034.db2.gz ZLQIXVXKEIZAKK-UHFFFAOYSA-N 1 1 349.416 0.980 20 30 ECEDMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)CC[C@@H]2C1 ZINC000946559218 611319514 /nfs/dbraw/zinc/31/95/14/611319514.db2.gz WDOYZQGPYMIALX-DVOMOZLQSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@@H+](CCNC(=O)c1ccc(Cl)c(C#N)c1)CCOCCO ZINC000922118231 611336971 /nfs/dbraw/zinc/33/69/71/611336971.db2.gz QQQFFGHNXLHTGS-UHFFFAOYSA-N 1 1 325.796 0.882 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000933732507 611745178 /nfs/dbraw/zinc/74/51/78/611745178.db2.gz KVLPNXBNBIOPRO-QLFBSQMISA-N 1 1 336.413 0.274 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000933732507 611745181 /nfs/dbraw/zinc/74/51/81/611745181.db2.gz KVLPNXBNBIOPRO-QLFBSQMISA-N 1 1 336.413 0.274 20 30 ECEDMO CN1CCN(C[C@H](O)COc2ccccc2C#N)CC[N@@H+](C)CC1 ZINC000933992129 611764396 /nfs/dbraw/zinc/76/43/96/611764396.db2.gz ARQFGCIEROBXAW-KRWDZBQOSA-N 1 1 332.448 0.477 20 30 ECEDMO CN1CCN(C)CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000933992129 611764397 /nfs/dbraw/zinc/76/43/97/611764397.db2.gz ARQFGCIEROBXAW-KRWDZBQOSA-N 1 1 332.448 0.477 20 30 ECEDMO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000948985327 611785696 /nfs/dbraw/zinc/78/56/96/611785696.db2.gz CNLWOKDIYFRQEB-HZPDHXFCSA-N 1 1 349.456 0.580 20 30 ECEDMO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000948985327 611785700 /nfs/dbraw/zinc/78/57/00/611785700.db2.gz CNLWOKDIYFRQEB-HZPDHXFCSA-N 1 1 349.456 0.580 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1C ZINC000947138964 611811918 /nfs/dbraw/zinc/81/19/18/611811918.db2.gz CAFKOFJUHCOJDU-OIISXLGYSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1C ZINC000947138964 611811919 /nfs/dbraw/zinc/81/19/19/611811919.db2.gz CAFKOFJUHCOJDU-OIISXLGYSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2ccon2)C1 ZINC000950645105 611814539 /nfs/dbraw/zinc/81/45/39/611814539.db2.gz HYATWKOSHGIEID-BMFZPTHFSA-N 1 1 344.415 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2ccon2)C1 ZINC000950645105 611814541 /nfs/dbraw/zinc/81/45/41/611814541.db2.gz HYATWKOSHGIEID-BMFZPTHFSA-N 1 1 344.415 0.278 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCCC[N@@H+]2C)nn1 ZINC000950057496 611855984 /nfs/dbraw/zinc/85/59/84/611855984.db2.gz WLFUFZDUIVMIBC-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000950112680 611869879 /nfs/dbraw/zinc/86/98/79/611869879.db2.gz MPUWPZHLJNICPF-ZFWWWQNUSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000950112680 611869881 /nfs/dbraw/zinc/86/98/81/611869881.db2.gz MPUWPZHLJNICPF-ZFWWWQNUSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(F)nc1 ZINC000949140276 611871776 /nfs/dbraw/zinc/87/17/76/611871776.db2.gz YZXLFLDEVGYQBI-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(F)nc1 ZINC000949140276 611871777 /nfs/dbraw/zinc/87/17/77/611871777.db2.gz YZXLFLDEVGYQBI-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC1(O)CCC1 ZINC000950755055 611890899 /nfs/dbraw/zinc/89/08/99/611890899.db2.gz CCRXUJPUCSRUQL-CABCVRRESA-N 1 1 333.432 0.106 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC1(O)CCC1 ZINC000950755055 611890900 /nfs/dbraw/zinc/89/09/00/611890900.db2.gz CCRXUJPUCSRUQL-CABCVRRESA-N 1 1 333.432 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1CC(F)(F)C1 ZINC000950755658 611891320 /nfs/dbraw/zinc/89/13/20/611891320.db2.gz QXDFCRQUNSQZFF-KGLIPLIRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1CC(F)(F)C1 ZINC000950755658 611891321 /nfs/dbraw/zinc/89/13/21/611891321.db2.gz QXDFCRQUNSQZFF-KGLIPLIRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1occc1C ZINC000950755824 611891390 /nfs/dbraw/zinc/89/13/90/611891390.db2.gz VMJURAHVJRZNGO-HOTGVXAUSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1occc1C ZINC000950755824 611891391 /nfs/dbraw/zinc/89/13/91/611891391.db2.gz VMJURAHVJRZNGO-HOTGVXAUSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCn1cccc1 ZINC000950755610 611891400 /nfs/dbraw/zinc/89/14/00/611891400.db2.gz PTJUPJYKFZYAAV-SJORKVTESA-N 1 1 342.443 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCn1cccc1 ZINC000950755610 611891401 /nfs/dbraw/zinc/89/14/01/611891401.db2.gz PTJUPJYKFZYAAV-SJORKVTESA-N 1 1 342.443 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000950755680 611891426 /nfs/dbraw/zinc/89/14/26/611891426.db2.gz RIDAGPWOFUFFDI-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000950755680 611891427 /nfs/dbraw/zinc/89/14/27/611891427.db2.gz RIDAGPWOFUFFDI-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(OC)no1 ZINC000950755877 611892001 /nfs/dbraw/zinc/89/20/01/611892001.db2.gz WXMCDGYPSLEATA-OLZOCXBDSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(OC)no1 ZINC000950755877 611892003 /nfs/dbraw/zinc/89/20/03/611892003.db2.gz WXMCDGYPSLEATA-OLZOCXBDSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)c2cnco2)CC1 ZINC000949195168 611896672 /nfs/dbraw/zinc/89/66/72/611896672.db2.gz CZMJUWRYCHADRE-HNNXBMFYSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)c2cnco2)CC1 ZINC000949195168 611896673 /nfs/dbraw/zinc/89/66/73/611896673.db2.gz CZMJUWRYCHADRE-HNNXBMFYSA-N 1 1 344.415 0.741 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000949244082 611917841 /nfs/dbraw/zinc/91/78/41/611917841.db2.gz VTPAYSAKOLYQAJ-HOCLYGCPSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000949244082 611917842 /nfs/dbraw/zinc/91/78/42/611917842.db2.gz VTPAYSAKOLYQAJ-HOCLYGCPSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1 ZINC000950248026 611927418 /nfs/dbraw/zinc/92/74/18/611927418.db2.gz MIDGTZUFIRPYDC-MGPQQGTHSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)CCn3cncn3)CC2)C1 ZINC000949298759 611931502 /nfs/dbraw/zinc/93/15/02/611931502.db2.gz PIPWXKBUTLWLRG-UHFFFAOYSA-N 1 1 333.436 0.938 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000949452124 611986218 /nfs/dbraw/zinc/98/62/18/611986218.db2.gz GORDMMRKUPBHJH-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 ZINC000949471237 611991710 /nfs/dbraw/zinc/99/17/10/611991710.db2.gz UTMCCTCLJATRMO-QGZVFWFLSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949479635 611995178 /nfs/dbraw/zinc/99/51/78/611995178.db2.gz BVBLQJHDJYNSJW-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949479635 611995180 /nfs/dbraw/zinc/99/51/80/611995180.db2.gz BVBLQJHDJYNSJW-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1)C1CCC1 ZINC000949485236 611999162 /nfs/dbraw/zinc/99/91/62/611999162.db2.gz ASPWYNWAJAWEIK-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC000949486696 612000286 /nfs/dbraw/zinc/00/02/86/612000286.db2.gz FSQJEPSCGGWBGO-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC000949486696 612000287 /nfs/dbraw/zinc/00/02/87/612000287.db2.gz FSQJEPSCGGWBGO-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498510 612008362 /nfs/dbraw/zinc/00/83/62/612008362.db2.gz SKVVRJNTMWQRTK-AWEZNQCLSA-N 1 1 326.360 0.422 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949502240 612010800 /nfs/dbraw/zinc/01/08/00/612010800.db2.gz KLLMZPRIQIOBMO-AWEZNQCLSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949519906 612018752 /nfs/dbraw/zinc/01/87/52/612018752.db2.gz AIIDNGXRRJLODY-QGZVFWFLSA-N 1 1 347.459 0.572 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000950473658 612033619 /nfs/dbraw/zinc/03/36/19/612033619.db2.gz YOLCUHUZLJPYAG-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC000950497821 612040833 /nfs/dbraw/zinc/04/08/33/612040833.db2.gz VUPJVINZKCVGCJ-UHFFFAOYSA-N 1 1 327.388 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nnc(CC)o2)C1 ZINC000950533221 612057737 /nfs/dbraw/zinc/05/77/37/612057737.db2.gz DTPJGXOSVCMGMB-HNNXBMFYSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nnc(CC)o2)C1 ZINC000950533221 612057738 /nfs/dbraw/zinc/05/77/38/612057738.db2.gz DTPJGXOSVCMGMB-HNNXBMFYSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nccnc2C)C1 ZINC000950533449 612057836 /nfs/dbraw/zinc/05/78/36/612057836.db2.gz GDEBOLPBJPGXQZ-SFHVURJKSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nccnc2C)C1 ZINC000950533449 612057837 /nfs/dbraw/zinc/05/78/37/612057837.db2.gz GDEBOLPBJPGXQZ-SFHVURJKSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnns2)C1 ZINC000950533165 612057848 /nfs/dbraw/zinc/05/78/48/612057848.db2.gz BNZVOIDVYRLINM-HNNXBMFYSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnns2)C1 ZINC000950533165 612057850 /nfs/dbraw/zinc/05/78/50/612057850.db2.gz BNZVOIDVYRLINM-HNNXBMFYSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccncc2)C1 ZINC000951223361 612087850 /nfs/dbraw/zinc/08/78/50/612087850.db2.gz FLSJCXCQRSEDEZ-IRXDYDNUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccncc2)C1 ZINC000951223361 612087851 /nfs/dbraw/zinc/08/78/51/612087851.db2.gz FLSJCXCQRSEDEZ-IRXDYDNUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cnns2)C1 ZINC000951223789 612088929 /nfs/dbraw/zinc/08/89/29/612088929.db2.gz PUIYOESJCUKHMN-OLZOCXBDSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cnns2)C1 ZINC000951223789 612088931 /nfs/dbraw/zinc/08/89/31/612088931.db2.gz PUIYOESJCUKHMN-OLZOCXBDSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC000951913655 612132985 /nfs/dbraw/zinc/13/29/85/612132985.db2.gz FCGSOXQYMNKZLV-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC000951913655 612132987 /nfs/dbraw/zinc/13/29/87/612132987.db2.gz FCGSOXQYMNKZLV-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000951950956 612149958 /nfs/dbraw/zinc/14/99/58/612149958.db2.gz NIFFLIJBMKMVFI-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000951950956 612149960 /nfs/dbraw/zinc/14/99/60/612149960.db2.gz NIFFLIJBMKMVFI-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000951375175 612190594 /nfs/dbraw/zinc/19/05/94/612190594.db2.gz VOMQPTMENDZFBG-CQSZACIVSA-N 1 1 340.387 0.812 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000951375872 612191836 /nfs/dbraw/zinc/19/18/36/612191836.db2.gz NKOZKZZTUYLANY-OAGGEKHMSA-N 1 1 346.431 0.890 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000951492386 612268481 /nfs/dbraw/zinc/26/84/81/612268481.db2.gz QZDNNMHDPOZBRL-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)c3cnc(C)[nH]3)C2)CC1 ZINC000954500464 612336093 /nfs/dbraw/zinc/33/60/93/612336093.db2.gz QCCYLKCDAODXCX-UHFFFAOYSA-N 1 1 343.431 0.346 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]nc2CC)C1 ZINC000954631344 612470141 /nfs/dbraw/zinc/47/01/41/612470141.db2.gz XLTGMRUTJWCQTC-INIZCTEOSA-N 1 1 343.431 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]nc2CC)C1 ZINC000954631344 612470142 /nfs/dbraw/zinc/47/01/42/612470142.db2.gz XLTGMRUTJWCQTC-INIZCTEOSA-N 1 1 343.431 0.353 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000953958891 612496387 /nfs/dbraw/zinc/49/63/87/612496387.db2.gz OWIOFYDHUZWXPB-ZDUSSCGKSA-N 1 1 343.431 0.901 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956803435 612567690 /nfs/dbraw/zinc/56/76/90/612567690.db2.gz BUXRDETZYKLAGT-QGZVFWFLSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CC(C)(C)O ZINC000955987907 612571499 /nfs/dbraw/zinc/57/14/99/612571499.db2.gz HACAUTYGOZPFHW-GJZGRUSLSA-N 1 1 335.448 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CC(C)(C)O ZINC000955987907 612571500 /nfs/dbraw/zinc/57/15/00/612571500.db2.gz HACAUTYGOZPFHW-GJZGRUSLSA-N 1 1 335.448 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2cnon2)CC1 ZINC000954044953 612585631 /nfs/dbraw/zinc/58/56/31/612585631.db2.gz YNZTUYXYASYGCD-HNNXBMFYSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2cnon2)CC1 ZINC000954044953 612585634 /nfs/dbraw/zinc/58/56/34/612585634.db2.gz YNZTUYXYASYGCD-HNNXBMFYSA-N 1 1 345.403 0.230 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC000956007350 612601159 /nfs/dbraw/zinc/60/11/59/612601159.db2.gz ZOMXPCIPJFHJMV-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC000956007350 612601161 /nfs/dbraw/zinc/60/11/61/612601161.db2.gz ZOMXPCIPJFHJMV-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956834040 612604688 /nfs/dbraw/zinc/60/46/88/612604688.db2.gz IZIIJFVPAFVXOV-ACJLOTCBSA-N 1 1 343.431 0.949 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000954072865 612630933 /nfs/dbraw/zinc/63/09/33/612630933.db2.gz HKLZDTMTASZLFP-UHFFFAOYSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1ccnc1 ZINC000956078664 612683005 /nfs/dbraw/zinc/68/30/05/612683005.db2.gz WCYIYJOGTNXNNX-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1ccnc1 ZINC000956078664 612683007 /nfs/dbraw/zinc/68/30/07/612683007.db2.gz WCYIYJOGTNXNNX-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc[nH]c2CC)C1 ZINC000954200097 612758967 /nfs/dbraw/zinc/75/89/67/612758967.db2.gz YJXGBULFXHINOV-KRWDZBQOSA-N 1 1 342.443 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc[nH]c2CC)C1 ZINC000954200097 612758968 /nfs/dbraw/zinc/75/89/68/612758968.db2.gz YJXGBULFXHINOV-KRWDZBQOSA-N 1 1 342.443 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1(CF)CC1 ZINC000956211278 612779966 /nfs/dbraw/zinc/77/99/66/612779966.db2.gz LLLUAXOHLNBVTD-GJZGRUSLSA-N 1 1 335.423 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1(CF)CC1 ZINC000956211278 612779969 /nfs/dbraw/zinc/77/99/69/612779969.db2.gz LLLUAXOHLNBVTD-GJZGRUSLSA-N 1 1 335.423 0.941 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000954307736 612839978 /nfs/dbraw/zinc/83/99/78/612839978.db2.gz CJMCJMNTHMPVRB-CYBMUJFWSA-N 1 1 346.435 0.089 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954317477 612846161 /nfs/dbraw/zinc/84/61/61/612846161.db2.gz KVJVMANGXQHZQA-KRWDZBQOSA-N 1 1 339.439 0.831 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC000954381960 612885172 /nfs/dbraw/zinc/88/51/72/612885172.db2.gz CUASYHAOGFAECU-AWEZNQCLSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC000954381960 612885174 /nfs/dbraw/zinc/88/51/74/612885174.db2.gz CUASYHAOGFAECU-AWEZNQCLSA-N 1 1 329.404 0.099 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000954421885 612900946 /nfs/dbraw/zinc/90/09/46/612900946.db2.gz FOYHSNIEABHJCD-HNNXBMFYSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000954421885 612900949 /nfs/dbraw/zinc/90/09/49/612900949.db2.gz FOYHSNIEABHJCD-HNNXBMFYSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cnsn2)C1 ZINC000956728182 612938723 /nfs/dbraw/zinc/93/87/23/612938723.db2.gz HPCLZENTKBJDOB-BBRMVZONSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cnsn2)C1 ZINC000956728182 612938724 /nfs/dbraw/zinc/93/87/24/612938724.db2.gz HPCLZENTKBJDOB-BBRMVZONSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001078035601 782187346 /nfs/dbraw/zinc/18/73/46/782187346.db2.gz IOUUTORYKRCOCQ-KURKYZTESA-N 1 1 328.412 0.875 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C#N)c(OC)n3)CC[C@H]2C1 ZINC001164849762 720842703 /nfs/dbraw/zinc/84/27/03/720842703.db2.gz CUZQMGGLZKDSSK-DZGCQCFKSA-N 1 1 347.419 0.530 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(C#N)c(C#N)n4)C[C@@H]3C2)cn1 ZINC001164761982 721211600 /nfs/dbraw/zinc/21/16/00/721211600.db2.gz BHWFMVXZNWXDRJ-CABCVRRESA-N 1 1 348.414 0.912 20 30 ECEDMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001024933264 738408140 /nfs/dbraw/zinc/40/81/40/738408140.db2.gz ZEDRXTLHLGARJR-CYBMUJFWSA-N 1 1 328.380 0.194 20 30 ECEDMO Cn1cc(C[NH2+]C[C@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)nn1 ZINC001024933156 738408257 /nfs/dbraw/zinc/40/82/57/738408257.db2.gz SOWMFOAJTIHCIC-CQSZACIVSA-N 1 1 327.392 0.799 20 30 ECEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000969115958 731478952 /nfs/dbraw/zinc/47/89/52/731478952.db2.gz ZEFRXPQMUKPVQQ-CYBMUJFWSA-N 1 1 344.419 0.968 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccncc3)C2)C1=O ZINC000969210325 731604412 /nfs/dbraw/zinc/60/44/12/731604412.db2.gz QRRZYZIQJWISPG-XJKSGUPXSA-N 1 1 328.416 0.919 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(=O)[C@H]1CCC[N@H+]1C ZINC000987925864 751341124 /nfs/dbraw/zinc/34/11/24/751341124.db2.gz RSRMSYXNDBDGAJ-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cncs3)C2)C1=O ZINC000969359580 731756734 /nfs/dbraw/zinc/75/67/34/731756734.db2.gz VXMYUSLNKNNQHP-DGCLKSJQSA-N 1 1 334.445 0.980 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969409235 731813659 /nfs/dbraw/zinc/81/36/59/731813659.db2.gz DINGPHOZNMOBRS-BLLLJJGKSA-N 1 1 326.400 0.773 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969409441 731816363 /nfs/dbraw/zinc/81/63/63/731816363.db2.gz HNOVXIKIKYMKOP-RHSMWYFYSA-N 1 1 325.412 0.753 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001041806168 782239717 /nfs/dbraw/zinc/23/97/17/782239717.db2.gz VGJCAUARBAGEQN-HOTGVXAUSA-N 1 1 341.477 0.569 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(N)=O)co3)[C@H]2C1 ZINC001083189853 731851063 /nfs/dbraw/zinc/85/10/63/731851063.db2.gz LHSGBNJHQVSKPV-DZGCQCFKSA-N 1 1 333.388 0.870 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC000969453579 731904564 /nfs/dbraw/zinc/90/45/64/731904564.db2.gz ZEXSTPBJLVDRNY-IUODEOHRSA-N 1 1 344.415 0.624 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000969463599 731910169 /nfs/dbraw/zinc/91/01/69/731910169.db2.gz QJBUCGCWEBSZCU-MLGOLLRUSA-N 1 1 341.415 0.723 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000969506094 731935144 /nfs/dbraw/zinc/93/51/44/731935144.db2.gz MIHHXGHUEGTPGZ-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000969515202 731935586 /nfs/dbraw/zinc/93/55/86/731935586.db2.gz YBOXIWZEDAWKOC-ABAIWWIYSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(OC)no3)C2)C1=O ZINC000969521254 731942500 /nfs/dbraw/zinc/94/25/00/731942500.db2.gz DKVFPUNAPDLPLW-YPMHNXCESA-N 1 1 348.403 0.520 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3n[nH]cc3C)C2)C1=O ZINC000969649123 732022847 /nfs/dbraw/zinc/02/28/47/732022847.db2.gz MHBZUUFNJQBXTI-TZMCWYRMSA-N 1 1 331.420 0.555 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCN(C(=O)CC)C2)CC1 ZINC001098524553 732068858 /nfs/dbraw/zinc/06/88/58/732068858.db2.gz LXXOLNRYGZJIBJ-MRXNPFEDSA-N 1 1 349.475 0.554 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CCn2cncn2)C1 ZINC001087356960 738576097 /nfs/dbraw/zinc/57/60/97/738576097.db2.gz IUTMAMQEMPNZFJ-XSLAGTTESA-N 1 1 339.443 0.860 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1)C1CC1 ZINC000973046640 738580733 /nfs/dbraw/zinc/58/07/33/738580733.db2.gz GDAUOSPUNMXTQX-OAHLLOKOSA-N 1 1 343.431 0.947 20 30 ECEDMO CN(C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1)C1CC1 ZINC000973046640 738580735 /nfs/dbraw/zinc/58/07/35/738580735.db2.gz GDAUOSPUNMXTQX-OAHLLOKOSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4ccncc4C3)[C@H]2C1 ZINC001083193748 732625872 /nfs/dbraw/zinc/62/58/72/732625872.db2.gz GYVNTGCCQGNEFE-BPQIPLTHSA-N 1 1 325.412 0.731 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC000970017205 732628033 /nfs/dbraw/zinc/62/80/33/732628033.db2.gz OSABGOKQJAJKIW-MCIONIFRSA-N 1 1 331.420 0.964 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(=O)[nH]n3)[C@@H](O)C2)cc1 ZINC001083321600 751341431 /nfs/dbraw/zinc/34/14/31/751341431.db2.gz SRHKARPDBNLKMX-CABCVRRESA-N 1 1 339.355 0.029 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccc(=O)[nH]n3)[C@@H](O)C2)cc1 ZINC001083321600 751341438 /nfs/dbraw/zinc/34/14/38/751341438.db2.gz SRHKARPDBNLKMX-CABCVRRESA-N 1 1 339.355 0.029 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cncn3C)C2)C1=O ZINC000970077821 732727282 /nfs/dbraw/zinc/72/72/82/732727282.db2.gz XHTOVGSNFAORPH-OCCSQVGLSA-N 1 1 331.420 0.257 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC001041828465 782286964 /nfs/dbraw/zinc/28/69/64/782286964.db2.gz CGYYILNRFBYEKM-SFHVURJKSA-N 1 1 338.415 0.615 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(=O)cc3OC)[C@H]2C1 ZINC001083195209 732864619 /nfs/dbraw/zinc/86/46/19/732864619.db2.gz IHWWJFFIYFLCHZ-DZGCQCFKSA-N 1 1 331.372 0.344 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(=O)cc3OC)[C@H]2C1 ZINC001083195209 732864624 /nfs/dbraw/zinc/86/46/24/732864624.db2.gz IHWWJFFIYFLCHZ-DZGCQCFKSA-N 1 1 331.372 0.344 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC000973086460 738667536 /nfs/dbraw/zinc/66/75/36/738667536.db2.gz WSBXWNFKBPDDAT-KKUMJFAQSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC000973086460 738667538 /nfs/dbraw/zinc/66/75/38/738667538.db2.gz WSBXWNFKBPDDAT-KKUMJFAQSA-N 1 1 344.390 0.695 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nnnn4CC3)[C@H]2C1 ZINC001083200629 733152130 /nfs/dbraw/zinc/15/21/30/733152130.db2.gz QLIWQDZNGUYKFS-QLFBSQMISA-N 1 1 346.435 0.113 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CCN([C@H](C)C(N)=O)C3)C2)CC1 ZINC001041845173 782326294 /nfs/dbraw/zinc/32/62/94/782326294.db2.gz UQLRHQZBWVJANW-BEFAXECRSA-N 1 1 346.475 0.130 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC001041844083 782326425 /nfs/dbraw/zinc/32/64/25/782326425.db2.gz ZXNOZFXQYSNSIY-QAPCUYQASA-N 1 1 327.432 0.788 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CCOC)C3)C2)CC1 ZINC001041845367 782326482 /nfs/dbraw/zinc/32/64/82/782326482.db2.gz XHKUHYWTNWRGLM-LJQANCHMSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CCOC)C3)C2)CC1 ZINC001041845367 782326494 /nfs/dbraw/zinc/32/64/94/782326494.db2.gz XHKUHYWTNWRGLM-LJQANCHMSA-N 1 1 333.476 0.902 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CCN3CCCC3=O)[C@H]2C1 ZINC001083278857 738691316 /nfs/dbraw/zinc/69/13/16/738691316.db2.gz UWSLNIRGVQKKEZ-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000970220758 733231067 /nfs/dbraw/zinc/23/10/67/733231067.db2.gz KQTQJXASXXMVTM-KBMXLJTQSA-N 1 1 333.436 0.877 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC000970223561 733233889 /nfs/dbraw/zinc/23/38/89/733233889.db2.gz PFTNAEUBXBSRIU-UONOGXRCSA-N 1 1 330.432 0.997 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nncn3C)C2)nn1 ZINC000970224266 733235207 /nfs/dbraw/zinc/23/52/07/733235207.db2.gz LVGJUANJTYWNSF-QWHCGFSZSA-N 1 1 344.423 0.548 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001041850525 782335011 /nfs/dbraw/zinc/33/50/11/782335011.db2.gz KJTDYWVOEKUUMW-LJQANCHMSA-N 1 1 325.412 0.886 20 30 ECEDMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000970289179 733313072 /nfs/dbraw/zinc/31/30/72/733313072.db2.gz CRMKMSZEFZUENB-NSHDSACASA-N 1 1 325.376 0.332 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCN(C)C1=O)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970292406 733319088 /nfs/dbraw/zinc/31/90/88/733319088.db2.gz LLJJTSMPZFHBQE-YJBOKZPZSA-N 1 1 339.439 0.953 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2O)CC1 ZINC000970336016 733380273 /nfs/dbraw/zinc/38/02/73/733380273.db2.gz FRZWMPRUBWGAJY-UAGQMJEPSA-N 1 1 349.475 0.905 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000970355346 733405374 /nfs/dbraw/zinc/40/53/74/733405374.db2.gz YTBXHYZZXJVULB-BONVTDFDSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970430391 733520625 /nfs/dbraw/zinc/52/06/25/733520625.db2.gz BWRPXHOOAAOYMR-FZQKWOKYSA-N 1 1 332.429 0.678 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1ccc(C#N)nc1 ZINC001104268929 733535983 /nfs/dbraw/zinc/53/59/83/733535983.db2.gz VZJOZUOEXOETLV-WOSRLPQWSA-N 1 1 331.420 0.837 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1ccc(C#N)nc1 ZINC001104268929 733535986 /nfs/dbraw/zinc/53/59/86/733535986.db2.gz VZJOZUOEXOETLV-WOSRLPQWSA-N 1 1 331.420 0.837 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)CCCO)CC2)nc1 ZINC001098537151 733544573 /nfs/dbraw/zinc/54/45/73/733544573.db2.gz UVCUUCQCPGEKAO-UHFFFAOYSA-N 1 1 331.416 0.344 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC000970544005 733661165 /nfs/dbraw/zinc/66/11/65/733661165.db2.gz DWVWTQLICWAIIZ-WFASDCNBSA-N 1 1 346.435 0.135 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC000970577004 733693797 /nfs/dbraw/zinc/69/37/97/733693797.db2.gz JSONXFMBLOCFAG-XJKSGUPXSA-N 1 1 338.415 0.686 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000973105142 738750922 /nfs/dbraw/zinc/75/09/22/738750922.db2.gz WZWJNJXXJBSTPV-QCODTGAPSA-N 1 1 335.448 0.825 20 30 ECEDMO Cc1cc(N2CCO[C@@H](CNC(=O)CSCC#N)C2)nc(C)[nH+]1 ZINC001104292853 734010884 /nfs/dbraw/zinc/01/08/84/734010884.db2.gz JDISKOUOLSKJGI-ZDUSSCGKSA-N 1 1 335.433 0.672 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1=O ZINC001210811748 734029995 /nfs/dbraw/zinc/02/99/95/734029995.db2.gz QKENGLGHMLKVRU-HZPDHXFCSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc(C2CC2)nc1C ZINC001114943073 734082378 /nfs/dbraw/zinc/08/23/78/734082378.db2.gz REJKFPYIEPCSIN-NHAGDIPZSA-N 1 1 342.399 0.270 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc(C2CC2)nc1C ZINC001114943073 734082383 /nfs/dbraw/zinc/08/23/83/734082383.db2.gz REJKFPYIEPCSIN-NHAGDIPZSA-N 1 1 342.399 0.270 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H](C)COC ZINC001078158087 782397892 /nfs/dbraw/zinc/39/78/92/782397892.db2.gz PTJSZCWVULLBEI-JYJNAYRXSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H](C)COC ZINC001078158087 782397898 /nfs/dbraw/zinc/39/78/98/782397898.db2.gz PTJSZCWVULLBEI-JYJNAYRXSA-N 1 1 337.464 0.768 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001087135853 734244529 /nfs/dbraw/zinc/24/45/29/734244529.db2.gz BQNDOZPHWWIKTO-RDBSUJKOSA-N 1 1 346.435 0.685 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](CCCC)C(N)=O)C[C@H]32)nn1 ZINC001114943176 734257705 /nfs/dbraw/zinc/25/77/05/734257705.db2.gz UKEULUIPZOVVPR-OSRDXIQISA-N 1 1 346.435 0.168 20 30 ECEDMO Cc1nc(NCCN(CCO)C(=O)[C@H]2CCCC[N@@H+]2C)ccc1C#N ZINC001111584657 734266670 /nfs/dbraw/zinc/26/66/70/734266670.db2.gz HHQMPVYHVAHREC-MRXNPFEDSA-N 1 1 345.447 0.979 20 30 ECEDMO Cc1ccc(C#N)c(N2CCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001104318253 734279510 /nfs/dbraw/zinc/27/95/10/734279510.db2.gz DXSFPQGKYJJRPZ-MRXNPFEDSA-N 1 1 345.447 0.923 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC001098547613 734297984 /nfs/dbraw/zinc/29/79/84/734297984.db2.gz DGKMKCVRVFPSJV-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CCCN(C)C(C)=O)CC1 ZINC001098548126 734318675 /nfs/dbraw/zinc/31/86/75/734318675.db2.gz OVBGWUHFTWLOCF-UHFFFAOYSA-N 1 1 325.453 0.716 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC001098548445 734334619 /nfs/dbraw/zinc/33/46/19/734334619.db2.gz SNYNMFJBJPJHAB-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 ZINC001104328112 734344522 /nfs/dbraw/zinc/34/45/22/734344522.db2.gz FRHBHIBOGZMMIJ-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNc2ncccc2C#N)C1 ZINC001111489375 734413981 /nfs/dbraw/zinc/41/39/81/734413981.db2.gz VQMZNOHKDSPTRX-CQSZACIVSA-N 1 1 331.420 0.528 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC000971334191 734452701 /nfs/dbraw/zinc/45/27/01/734452701.db2.gz MUSMWQBATRKBLC-HUUCEWRRSA-N 1 1 344.415 0.720 20 30 ECEDMO C[N@@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971343617 734460018 /nfs/dbraw/zinc/46/00/18/734460018.db2.gz NEUOKNWZJWETRN-CYBMUJFWSA-N 1 1 343.387 0.182 20 30 ECEDMO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363681 734476020 /nfs/dbraw/zinc/47/60/20/734476020.db2.gz CAYXWDIAZZIBDC-AWEZNQCLSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363681 734476021 /nfs/dbraw/zinc/47/60/21/734476021.db2.gz CAYXWDIAZZIBDC-AWEZNQCLSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971373419 734484236 /nfs/dbraw/zinc/48/42/36/734484236.db2.gz FIHKWMSMGXJYJQ-HNNXBMFYSA-N 1 1 340.387 0.588 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971373419 734484239 /nfs/dbraw/zinc/48/42/39/734484239.db2.gz FIHKWMSMGXJYJQ-HNNXBMFYSA-N 1 1 340.387 0.588 20 30 ECEDMO Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000971377365 734485562 /nfs/dbraw/zinc/48/55/62/734485562.db2.gz YKJRSXHGZWZYER-MRXNPFEDSA-N 1 1 341.419 0.941 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104350546 734528173 /nfs/dbraw/zinc/52/81/73/734528173.db2.gz ZILBAWPSFOOCCP-RHSMWYFYSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3nccn3CC)C2)C1=O ZINC000971423042 734559768 /nfs/dbraw/zinc/55/97/68/734559768.db2.gz KKSAKTXTIYRONZ-GJZGRUSLSA-N 1 1 345.447 0.836 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3nnc(C)o3)C2)C1=O ZINC000971496757 734690489 /nfs/dbraw/zinc/69/04/89/734690489.db2.gz JRTYQTDFYNSZQM-ZIAGYGMSSA-N 1 1 347.419 0.240 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCOCC1 ZINC001114988675 734815124 /nfs/dbraw/zinc/81/51/24/734815124.db2.gz JUCBIEYTKUXVSC-NHAGDIPZSA-N 1 1 341.839 0.328 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCOCC1 ZINC001114988675 734815126 /nfs/dbraw/zinc/81/51/26/734815126.db2.gz JUCBIEYTKUXVSC-NHAGDIPZSA-N 1 1 341.839 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cc(OC)no2)C1 ZINC000971705098 734966345 /nfs/dbraw/zinc/96/63/45/734966345.db2.gz ZFHVMGRMQUCKKR-HOCLYGCPSA-N 1 1 346.431 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cc(OC)no2)C1 ZINC000971705098 734966347 /nfs/dbraw/zinc/96/63/47/734966347.db2.gz ZFHVMGRMQUCKKR-HOCLYGCPSA-N 1 1 346.431 0.814 20 30 ECEDMO C=CCN1C[C@H]2OCCN(C(=O)c3n[nH]cc3Br)[C@H]2C1 ZINC001083225633 735110279 /nfs/dbraw/zinc/11/02/79/735110279.db2.gz FSFQHBIILDBLCC-WDEREUQCSA-N 1 1 341.209 0.883 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]ncc3Br)[C@H]2C1 ZINC001083225633 735110282 /nfs/dbraw/zinc/11/02/82/735110282.db2.gz FSFQHBIILDBLCC-WDEREUQCSA-N 1 1 341.209 0.883 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3[nH]ncc3Br)[C@H]2C1 ZINC001083225633 735110284 /nfs/dbraw/zinc/11/02/84/735110284.db2.gz FSFQHBIILDBLCC-WDEREUQCSA-N 1 1 341.209 0.883 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001025237029 738890857 /nfs/dbraw/zinc/89/08/57/738890857.db2.gz XCRUXVCANZLPTD-UONOGXRCSA-N 1 1 346.435 0.409 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CCSC)C1 ZINC001149168238 735157478 /nfs/dbraw/zinc/15/74/78/735157478.db2.gz PNIJLPIPQYSPOP-KGLIPLIRSA-N 1 1 341.477 0.085 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CCSC)C1 ZINC001149168238 735157479 /nfs/dbraw/zinc/15/74/79/735157479.db2.gz PNIJLPIPQYSPOP-KGLIPLIRSA-N 1 1 341.477 0.085 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972080755 735619292 /nfs/dbraw/zinc/61/92/92/735619292.db2.gz WCBRFPATLAKHRY-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972080755 735619294 /nfs/dbraw/zinc/61/92/94/735619294.db2.gz WCBRFPATLAKHRY-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001006398832 751349645 /nfs/dbraw/zinc/34/96/45/751349645.db2.gz GDYVHBVTFFBHOB-NVXWUHKLSA-N 1 1 348.491 0.648 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001006398832 751349650 /nfs/dbraw/zinc/34/96/50/751349650.db2.gz GDYVHBVTFFBHOB-NVXWUHKLSA-N 1 1 348.491 0.648 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2c(C)nn3cccnc23)CC1 ZINC001098564181 735674093 /nfs/dbraw/zinc/67/40/93/735674093.db2.gz PRJREHYNSOKLFH-UHFFFAOYSA-N 1 1 341.415 0.570 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3nc4cc[nH]cc-4n3)[C@H]2C1 ZINC001083243362 735680351 /nfs/dbraw/zinc/68/03/51/735680351.db2.gz XWNOSEJSIQXUTB-JKSUJKDBSA-N 1 1 341.415 0.988 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3nc4cc[nH]cc-4n3)[C@H]2C1 ZINC001083243362 735680352 /nfs/dbraw/zinc/68/03/52/735680352.db2.gz XWNOSEJSIQXUTB-JKSUJKDBSA-N 1 1 341.415 0.988 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001058908690 751361720 /nfs/dbraw/zinc/36/17/20/751361720.db2.gz BIYXYCVXJSVNJR-JSGCOSHPSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001058908690 751361727 /nfs/dbraw/zinc/36/17/27/751361727.db2.gz BIYXYCVXJSVNJR-JSGCOSHPSA-N 1 1 330.392 0.082 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCCC3)C2)c1 ZINC000972285855 735891385 /nfs/dbraw/zinc/89/13/85/735891385.db2.gz XKXFZZUOAKTUGH-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCCC3)C2)c1 ZINC000972285855 735891387 /nfs/dbraw/zinc/89/13/87/735891387.db2.gz XKXFZZUOAKTUGH-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000972340460 735968827 /nfs/dbraw/zinc/96/88/27/735968827.db2.gz WVVPAZAMFHWVEW-YJBOKZPZSA-N 1 1 335.448 0.782 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001058909133 751366147 /nfs/dbraw/zinc/36/61/47/751366147.db2.gz XCJMDUMBXZIZOK-KBPBESRZSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001058909133 751366152 /nfs/dbraw/zinc/36/61/52/751366152.db2.gz XCJMDUMBXZIZOK-KBPBESRZSA-N 1 1 330.392 0.082 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2c(C)cc(=O)[nH]c2C)CC1 ZINC001098569217 736057739 /nfs/dbraw/zinc/05/77/39/736057739.db2.gz CCHBPGYXAJTPTA-UHFFFAOYSA-N 1 1 331.416 0.936 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394175 736114007 /nfs/dbraw/zinc/11/40/07/736114007.db2.gz AASUHUARKSAFLQ-APWZRJJASA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394175 736114008 /nfs/dbraw/zinc/11/40/08/736114008.db2.gz AASUHUARKSAFLQ-APWZRJJASA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCc2cnn(C)c2)CC1 ZINC001098570700 736123509 /nfs/dbraw/zinc/12/35/09/736123509.db2.gz GSZXOTOSOJLDPV-UHFFFAOYSA-N 1 1 332.448 0.661 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000972410752 736144021 /nfs/dbraw/zinc/14/40/21/736144021.db2.gz UODQQHOFQUZPOK-CRAIPNDOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000972420377 736162815 /nfs/dbraw/zinc/16/28/15/736162815.db2.gz UGEFGIUHLJKBIK-CRAIPNDOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC000972423982 736171056 /nfs/dbraw/zinc/17/10/56/736171056.db2.gz XGZVCCWZTUYFHC-QGZVFWFLSA-N 1 1 332.404 0.273 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC000972423981 736171059 /nfs/dbraw/zinc/17/10/59/736171059.db2.gz XGZVCCWZTUYFHC-KRWDZBQOSA-N 1 1 332.404 0.273 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 ZINC000972436977 736194614 /nfs/dbraw/zinc/19/46/14/736194614.db2.gz GKNYHDFZEZYCQD-SFHVURJKSA-N 1 1 329.400 0.326 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 ZINC000972436977 736194615 /nfs/dbraw/zinc/19/46/15/736194615.db2.gz GKNYHDFZEZYCQD-SFHVURJKSA-N 1 1 329.400 0.326 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972440881 736200152 /nfs/dbraw/zinc/20/01/52/736200152.db2.gz LTJIQHOWGBUTJC-SJLPKXTDSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972440881 736200155 /nfs/dbraw/zinc/20/01/55/736200155.db2.gz LTJIQHOWGBUTJC-SJLPKXTDSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CCn2cc(Cl)cn2)CC1 ZINC001098571966 736203827 /nfs/dbraw/zinc/20/38/27/736203827.db2.gz ZOWNJJBTEZMDJY-UHFFFAOYSA-N 1 1 338.839 0.845 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972454459 736240266 /nfs/dbraw/zinc/24/02/66/736240266.db2.gz WZZCHYRYGNOEJE-SFHVURJKSA-N 1 1 344.415 0.064 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972454459 736240268 /nfs/dbraw/zinc/24/02/68/736240268.db2.gz WZZCHYRYGNOEJE-SFHVURJKSA-N 1 1 344.415 0.064 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncc(OC)cn3)C2)C1 ZINC000972461751 736259221 /nfs/dbraw/zinc/25/92/21/736259221.db2.gz WQKUTOZJTJGHSM-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ncc(OC)cn3)C2)C1 ZINC000972461751 736259224 /nfs/dbraw/zinc/25/92/24/736259224.db2.gz WQKUTOZJTJGHSM-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC000972466708 736267203 /nfs/dbraw/zinc/26/72/03/736267203.db2.gz SJFYYHONWGHPKQ-GOSISDBHSA-N 1 1 347.415 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC000972466708 736267208 /nfs/dbraw/zinc/26/72/08/736267208.db2.gz SJFYYHONWGHPKQ-GOSISDBHSA-N 1 1 347.415 0.877 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972480885 736308718 /nfs/dbraw/zinc/30/87/18/736308718.db2.gz VFPPYZXRMHVRMO-MAUKXSAKSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972480885 736308722 /nfs/dbraw/zinc/30/87/22/736308722.db2.gz VFPPYZXRMHVRMO-MAUKXSAKSA-N 1 1 335.448 0.782 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3nnc[nH]3)C2)cc1F ZINC001022953626 736312629 /nfs/dbraw/zinc/31/26/29/736312629.db2.gz USTNYGLKPLMPJR-BETUJISGSA-N 1 1 328.351 0.795 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 ZINC000972492519 736380403 /nfs/dbraw/zinc/38/04/03/736380403.db2.gz NATISDUKLZEFCJ-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 ZINC000972492519 736380409 /nfs/dbraw/zinc/38/04/09/736380409.db2.gz NATISDUKLZEFCJ-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccnn3C)C2)nn1 ZINC000972502048 736430245 /nfs/dbraw/zinc/43/02/45/736430245.db2.gz UFBBOYYISHCNKB-CYBMUJFWSA-N 1 1 329.408 0.544 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccnn3C)C2)nn1 ZINC000972502048 736430246 /nfs/dbraw/zinc/43/02/46/736430246.db2.gz UFBBOYYISHCNKB-CYBMUJFWSA-N 1 1 329.408 0.544 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCN(CC)C3=O)C2)nn1 ZINC000972507304 736463858 /nfs/dbraw/zinc/46/38/58/736463858.db2.gz SEBIIOYPDHANQW-ZFWWWQNUSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 ZINC001098575106 736484594 /nfs/dbraw/zinc/48/45/94/736484594.db2.gz CESKWRNYKQGTBN-QGZVFWFLSA-N 1 1 335.448 0.306 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3cn[nH]c3)C2)C1=O ZINC000972511357 736493883 /nfs/dbraw/zinc/49/38/83/736493883.db2.gz WCURYHAWSHFTAR-JKSUJKDBSA-N 1 1 345.447 0.662 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC001098575573 736511796 /nfs/dbraw/zinc/51/17/96/736511796.db2.gz VIGHJPCJUZHQEO-HNNXBMFYSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972514886 736513952 /nfs/dbraw/zinc/51/39/52/736513952.db2.gz QQHYWFHBRSKWHG-ZWKOTPCHSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NCc3cn(CC)nn3)C2)CC1 ZINC001023128171 736523722 /nfs/dbraw/zinc/52/37/22/736523722.db2.gz SHYGJXXMSLBIPD-IYBDPMFKSA-N 1 1 344.463 0.380 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@H]2CCOC2)C1 ZINC001059846744 751371895 /nfs/dbraw/zinc/37/18/95/751371895.db2.gz CZUMYBQGHSEVDE-IKGGRYGDSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@H]2CCOC2)C1 ZINC001059846744 751371901 /nfs/dbraw/zinc/37/19/01/751371901.db2.gz CZUMYBQGHSEVDE-IKGGRYGDSA-N 1 1 347.459 0.475 20 30 ECEDMO CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCOC1)N1CC[C@H](N2CC=CC2)C1 ZINC000262334495 736539693 /nfs/dbraw/zinc/53/96/93/736539693.db2.gz VTJPXAHKZKMSTD-HOTGVXAUSA-N 1 1 349.479 0.003 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4nnn(C)c4c3)[C@H]2C1 ZINC001083259391 736610512 /nfs/dbraw/zinc/61/05/12/736610512.db2.gz YSMJGGRVGDKUSM-DLBZAZTESA-N 1 1 339.399 0.517 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001023251637 736621303 /nfs/dbraw/zinc/62/13/03/736621303.db2.gz WEHUFNLVKFOARK-HIFRSBDPSA-N 1 1 331.420 0.638 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972542888 736652955 /nfs/dbraw/zinc/65/29/55/736652955.db2.gz FLYWPLIRMSYQLT-YJBOKZPZSA-N 1 1 335.448 0.925 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023309169 736667180 /nfs/dbraw/zinc/66/71/80/736667180.db2.gz ZNJUIHOEGZEDPG-OLZOCXBDSA-N 1 1 343.431 0.995 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001023318807 736678886 /nfs/dbraw/zinc/67/88/86/736678886.db2.gz OCPJISPGJJVKKM-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)c[nH]1 ZINC001023320154 736680579 /nfs/dbraw/zinc/68/05/79/736680579.db2.gz UBWFWMVJXYBZHL-WFASDCNBSA-N 1 1 329.404 0.607 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cncnc3)C2)C1=O ZINC001023325551 736686412 /nfs/dbraw/zinc/68/64/12/736686412.db2.gz JFNUZHNXVSBULY-ZBFHGGJFSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972554529 736735301 /nfs/dbraw/zinc/73/53/01/736735301.db2.gz PVABTVQTBLIGNR-VKJFTORMSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972554529 736735304 /nfs/dbraw/zinc/73/53/04/736735304.db2.gz PVABTVQTBLIGNR-VKJFTORMSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972555293 736739771 /nfs/dbraw/zinc/73/97/71/736739771.db2.gz WSNIBJIUYBHHNQ-QGZVFWFLSA-N 1 1 330.388 0.054 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972555293 736739774 /nfs/dbraw/zinc/73/97/74/736739774.db2.gz WSNIBJIUYBHHNQ-QGZVFWFLSA-N 1 1 330.388 0.054 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972556955 736748586 /nfs/dbraw/zinc/74/85/86/736748586.db2.gz KJMPLEXJLUWODK-KRWDZBQOSA-N 1 1 333.388 0.899 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972556955 736748587 /nfs/dbraw/zinc/74/85/87/736748587.db2.gz KJMPLEXJLUWODK-KRWDZBQOSA-N 1 1 333.388 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C#CC2CC2)C1 ZINC001059846860 751374000 /nfs/dbraw/zinc/37/40/00/751374000.db2.gz GQWADAKSTNRKOX-ROUUACIJSA-N 1 1 341.455 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C#CC2CC2)C1 ZINC001059846860 751374006 /nfs/dbraw/zinc/37/40/06/751374006.db2.gz GQWADAKSTNRKOX-ROUUACIJSA-N 1 1 341.455 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001023443165 736837819 /nfs/dbraw/zinc/83/78/19/736837819.db2.gz GNXUQQRAQOEACJ-CABCVRRESA-N 1 1 330.432 0.919 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023449380 736847617 /nfs/dbraw/zinc/84/76/17/736847617.db2.gz OMGRCLGGKQHXGO-KGLIPLIRSA-N 1 1 333.436 0.950 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cncn3C)C2)C1=O ZINC001023471135 736883276 /nfs/dbraw/zinc/88/32/76/736883276.db2.gz DMCJZPXROOEZKB-LSDHHAIUSA-N 1 1 345.447 0.649 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001023476234 736886057 /nfs/dbraw/zinc/88/60/57/736886057.db2.gz KJEMNZBLKYXQAL-HNNXBMFYSA-N 1 1 346.431 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnc3sccn3c2=O)C1 ZINC001023474747 736888252 /nfs/dbraw/zinc/88/82/52/736888252.db2.gz FSSWPIVWRXGWBU-LBPRGKRZSA-N 1 1 330.413 0.831 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(C)c3OC)C2)C1 ZINC000972578270 736914295 /nfs/dbraw/zinc/91/42/95/736914295.db2.gz ROYGFYMIRWUXQG-GOSISDBHSA-N 1 1 346.431 0.677 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(C)c3OC)C2)C1 ZINC000972578270 736914298 /nfs/dbraw/zinc/91/42/98/736914298.db2.gz ROYGFYMIRWUXQG-GOSISDBHSA-N 1 1 346.431 0.677 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCC=C)nn3)C2)C1 ZINC000972590969 737006161 /nfs/dbraw/zinc/00/61/61/737006161.db2.gz WXQQRVHONDJQOC-SFHVURJKSA-N 1 1 343.431 0.794 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCC=C)nn3)C2)C1 ZINC000972590969 737006164 /nfs/dbraw/zinc/00/61/64/737006164.db2.gz WXQQRVHONDJQOC-SFHVURJKSA-N 1 1 343.431 0.794 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001023599720 737058913 /nfs/dbraw/zinc/05/89/13/737058913.db2.gz SDRBTBWBGWGDPC-MJBXVCDLSA-N 1 1 349.435 0.028 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)CC(N)=O)C[C@H](C)O2 ZINC001098578327 737065404 /nfs/dbraw/zinc/06/54/04/737065404.db2.gz QYNVMLOFLLWKPB-LBPRGKRZSA-N 1 1 329.828 0.696 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972603573 737069848 /nfs/dbraw/zinc/06/98/48/737069848.db2.gz YAAXRCQWUDXGDU-SFHVURJKSA-N 1 1 346.431 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2cn[nH]c2)C1 ZINC001059847731 751385940 /nfs/dbraw/zinc/38/59/40/751385940.db2.gz UXQHXIUQNLJULA-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2cn[nH]c2)C1 ZINC001059847731 751385943 /nfs/dbraw/zinc/38/59/43/751385943.db2.gz UXQHXIUQNLJULA-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2cn[nH]c2)C1 ZINC001059847729 751385989 /nfs/dbraw/zinc/38/59/89/751385989.db2.gz UXQHXIUQNLJULA-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2cn[nH]c2)C1 ZINC001059847729 751385995 /nfs/dbraw/zinc/38/59/95/751385995.db2.gz UXQHXIUQNLJULA-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001023637061 737123357 /nfs/dbraw/zinc/12/33/57/737123357.db2.gz CCZXHKQHBYXNEM-CQSZACIVSA-N 1 1 346.435 0.138 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633470 737178490 /nfs/dbraw/zinc/17/84/90/737178490.db2.gz FDDWIBBJVATSFH-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633470 737178491 /nfs/dbraw/zinc/17/84/91/737178491.db2.gz FDDWIBBJVATSFH-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001023692686 737207154 /nfs/dbraw/zinc/20/71/54/737207154.db2.gz HKWDBVBQNIJEIH-CABCVRRESA-N 1 1 331.420 0.705 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+]Cc1cc(=O)[nH]c(CNC(C)=O)n1 ZINC001087253376 737235997 /nfs/dbraw/zinc/23/59/97/737235997.db2.gz JZGMBTLWHPVNTI-UHFFFAOYSA-N 1 1 341.371 0.988 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC000972645887 737244429 /nfs/dbraw/zinc/24/44/29/737244429.db2.gz AJMIGACIEGCHQX-SFHVURJKSA-N 1 1 346.431 0.431 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001023731708 737256725 /nfs/dbraw/zinc/25/67/25/737256725.db2.gz UTMSPVRRLBBNIK-AWEZNQCLSA-N 1 1 326.404 0.898 20 30 ECEDMO C=C(Cl)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972676948 737356404 /nfs/dbraw/zinc/35/64/04/737356404.db2.gz MSRZLASCKGZMKZ-ZBFHGGJFSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972705408 737507117 /nfs/dbraw/zinc/50/71/17/737507117.db2.gz XFEOZCVKBRGDCF-QGZVFWFLSA-N 1 1 333.436 0.627 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972705408 737507122 /nfs/dbraw/zinc/50/71/22/737507122.db2.gz XFEOZCVKBRGDCF-QGZVFWFLSA-N 1 1 333.436 0.627 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)[nH]1 ZINC001125776308 737570926 /nfs/dbraw/zinc/57/09/26/737570926.db2.gz LLFFSFVERVUHJQ-AWEZNQCLSA-N 1 1 329.335 0.571 20 30 ECEDMO COCc1noc(C[NH2+]C[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001023979751 737577844 /nfs/dbraw/zinc/57/78/44/737577844.db2.gz SESDFJHGUDCBQR-CQSZACIVSA-N 1 1 332.404 0.958 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001098584346 737714806 /nfs/dbraw/zinc/71/48/06/737714806.db2.gz TVQVQPIBNSQHGU-HNNXBMFYSA-N 1 1 338.452 0.391 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)Cc3nnc[nH]3)CC2)C1=O ZINC001167684647 737754951 /nfs/dbraw/zinc/75/49/51/737754951.db2.gz FNXTUBIVWMFJQL-CYBMUJFWSA-N 1 1 346.435 0.010 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001114943879 737755422 /nfs/dbraw/zinc/75/54/22/737755422.db2.gz AUMFKYJMYYSYMP-HWWDLCQESA-N 1 1 326.400 0.583 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C[C@H]21 ZINC000972842507 737763737 /nfs/dbraw/zinc/76/37/37/737763737.db2.gz DGEPRVDGKDXWQH-BQJWPVKWSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C[C@H]21 ZINC000972842507 737763741 /nfs/dbraw/zinc/76/37/41/737763741.db2.gz DGEPRVDGKDXWQH-BQJWPVKWSA-N 1 1 329.444 0.799 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(=O)[nH]c3)C2)nn1 ZINC001105283667 741641827 /nfs/dbraw/zinc/64/18/27/741641827.db2.gz RKGYJZAHOGYGBY-UHFFFAOYSA-N 1 1 342.403 0.670 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cncnc2)C1=O ZINC001024407916 737945801 /nfs/dbraw/zinc/94/58/01/737945801.db2.gz SZPNMKFCVUTNOG-JKSUJKDBSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cncnc2)C1=O ZINC001024407916 737945805 /nfs/dbraw/zinc/94/58/05/737945805.db2.gz SZPNMKFCVUTNOG-JKSUJKDBSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ncn(C)n2)C1=O ZINC001024426110 737960069 /nfs/dbraw/zinc/96/00/69/737960069.db2.gz UJISPBGWRNOOMU-KGLIPLIRSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ncn(C)n2)C1=O ZINC001024426110 737960072 /nfs/dbraw/zinc/96/00/72/737960072.db2.gz UJISPBGWRNOOMU-KGLIPLIRSA-N 1 1 346.435 0.186 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1 ZINC001098586681 738025123 /nfs/dbraw/zinc/02/51/23/738025123.db2.gz KZNRHHUROVDHDY-MRXNPFEDSA-N 1 1 337.464 0.443 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001024515138 738048825 /nfs/dbraw/zinc/04/88/25/738048825.db2.gz MHVVIXLXGOUUCO-ZIAGYGMSSA-N 1 1 331.420 0.540 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001024515136 738048908 /nfs/dbraw/zinc/04/89/08/738048908.db2.gz MHVVIXLXGOUUCO-KGLIPLIRSA-N 1 1 331.420 0.540 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1 ZINC001098586889 738053792 /nfs/dbraw/zinc/05/37/92/738053792.db2.gz PLJFBWFLQSMMHI-INIZCTEOSA-N 1 1 339.480 0.995 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001024531186 738067862 /nfs/dbraw/zinc/06/78/62/738067862.db2.gz OFVQECUVEVCIGQ-LLVKDONJSA-N 1 1 325.390 0.145 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001024531186 738067866 /nfs/dbraw/zinc/06/78/66/738067866.db2.gz OFVQECUVEVCIGQ-LLVKDONJSA-N 1 1 325.390 0.145 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001024540531 738080250 /nfs/dbraw/zinc/08/02/50/738080250.db2.gz GLRQSYGGLPVRKC-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)[C@@H]21 ZINC001087282078 738100360 /nfs/dbraw/zinc/10/03/60/738100360.db2.gz RBYLZPBQSPSVBM-DAXOMENPSA-N 1 1 343.431 0.851 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001024576142 738122979 /nfs/dbraw/zinc/12/29/79/738122979.db2.gz PZWYDRAAGLFAEH-CYBMUJFWSA-N 1 1 325.376 0.275 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001024576142 738122981 /nfs/dbraw/zinc/12/29/81/738122981.db2.gz PZWYDRAAGLFAEH-CYBMUJFWSA-N 1 1 325.376 0.275 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@@H]21 ZINC001087298527 738158075 /nfs/dbraw/zinc/15/80/75/738158075.db2.gz GSWJKXLVBVERDL-ZTFGCOKTSA-N 1 1 348.491 0.600 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)n1 ZINC001024607661 738161090 /nfs/dbraw/zinc/16/10/90/738161090.db2.gz GHKNHAYQUFDJSL-HNNXBMFYSA-N 1 1 339.403 0.866 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(C#N)c2)n1 ZINC001024607661 738161092 /nfs/dbraw/zinc/16/10/92/738161092.db2.gz GHKNHAYQUFDJSL-HNNXBMFYSA-N 1 1 339.403 0.866 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001024704877 738231766 /nfs/dbraw/zinc/23/17/66/738231766.db2.gz SIQPTZHCFDPOEX-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087312303 738245399 /nfs/dbraw/zinc/24/53/99/738245399.db2.gz CFENYXMPMOWTEU-KCXAZCMYSA-N 1 1 346.431 0.167 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C(C)(C)[C@@H]21 ZINC001087312714 738250402 /nfs/dbraw/zinc/25/04/02/738250402.db2.gz JGLGIYPPYRGROK-DAXOMENPSA-N 1 1 346.431 0.119 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC001087313200 738252675 /nfs/dbraw/zinc/25/26/75/738252675.db2.gz QQMSMWDIDZGOIA-UHOFOFEASA-N 1 1 348.447 0.672 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001024746286 738264204 /nfs/dbraw/zinc/26/42/04/738264204.db2.gz CPLBVLCJMDRLNE-CABCVRRESA-N 1 1 331.420 0.847 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001024746286 738264206 /nfs/dbraw/zinc/26/42/06/738264206.db2.gz CPLBVLCJMDRLNE-CABCVRRESA-N 1 1 331.420 0.847 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025276380 738996746 /nfs/dbraw/zinc/99/67/46/738996746.db2.gz JDATYSNFROBFTR-CABCVRRESA-N 1 1 348.447 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1nccnc1C(N)=O ZINC001025296874 739018266 /nfs/dbraw/zinc/01/82/66/739018266.db2.gz LXIJBSCTUBXGJO-KBPBESRZSA-N 1 1 341.415 0.668 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025297905 739018914 /nfs/dbraw/zinc/01/89/14/739018914.db2.gz RTJYNLKOHNBANE-LSDHHAIUSA-N 1 1 346.431 0.407 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000973291758 739043432 /nfs/dbraw/zinc/04/34/32/739043432.db2.gz BKRZPZKDCXDESZ-QCODTGAPSA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000973285669 739048776 /nfs/dbraw/zinc/04/87/76/739048776.db2.gz XINBATXDOVYKJQ-YDHLFZDLSA-N 1 1 346.435 0.325 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000987985324 751410391 /nfs/dbraw/zinc/41/03/91/751410391.db2.gz MZLYPHZEPAUAMB-HZPDHXFCSA-N 1 1 333.432 0.037 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000987985324 751410397 /nfs/dbraw/zinc/41/03/97/751410397.db2.gz MZLYPHZEPAUAMB-HZPDHXFCSA-N 1 1 333.432 0.037 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001112006039 739251695 /nfs/dbraw/zinc/25/16/95/739251695.db2.gz DAVVTQAXYCRWKM-GJYPPUQNSA-N 1 1 347.459 0.475 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H]2CCc3ncnn32)CC1 ZINC000981994640 751429089 /nfs/dbraw/zinc/42/90/89/751429089.db2.gz PQTTUNOQCQOYJO-XHSDSOJGSA-N 1 1 345.447 0.891 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccnn2C)nn1 ZINC001028192280 751431233 /nfs/dbraw/zinc/43/12/33/751431233.db2.gz IQOKZOMHKGBGNH-AWEZNQCLSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccnn2C)nn1 ZINC001028192280 751431239 /nfs/dbraw/zinc/43/12/39/751431239.db2.gz IQOKZOMHKGBGNH-AWEZNQCLSA-N 1 1 343.435 0.982 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC000973485154 739379763 /nfs/dbraw/zinc/37/97/63/739379763.db2.gz LNROTPDJMRCSFH-KBRIMQKVSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(CCOC)nn2)C1 ZINC001025411763 739431286 /nfs/dbraw/zinc/43/12/86/739431286.db2.gz KEFVPPUDGRLLLG-CABCVRRESA-N 1 1 333.436 0.778 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001028196352 751446808 /nfs/dbraw/zinc/44/68/08/751446808.db2.gz JIGYTCWUFVPCSI-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C)Cc2cnn(C)c2)CC1 ZINC001098515723 751459924 /nfs/dbraw/zinc/45/99/24/751459924.db2.gz ILBZYCMPBWPFQJ-INIZCTEOSA-N 1 1 346.475 0.907 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000988015636 751457509 /nfs/dbraw/zinc/45/75/09/751457509.db2.gz RHXJVGHAAVTLKU-KGLIPLIRSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001025469146 739620090 /nfs/dbraw/zinc/62/00/90/739620090.db2.gz NODPXJAZQNIWEN-NWDGAFQWSA-N 1 1 341.433 0.943 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2O)CC1 ZINC001025489284 739652157 /nfs/dbraw/zinc/65/21/57/739652157.db2.gz JSWKQCPRLZVIGA-DJIMGWMZSA-N 1 1 349.475 0.763 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2O)CC1 ZINC001025490765 739656708 /nfs/dbraw/zinc/65/67/08/739656708.db2.gz GZHURMJLKZEAOM-MWQQHZPXSA-N 1 1 349.475 0.761 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001025501300 739661209 /nfs/dbraw/zinc/66/12/09/739661209.db2.gz CJMVISPXINJDNJ-CABCVRRESA-N 1 1 330.432 0.861 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccnc3c2nnn3C)C1 ZINC001025517936 739684001 /nfs/dbraw/zinc/68/40/01/739684001.db2.gz CKTSNNVQKSXVKM-STQMWFEESA-N 1 1 326.404 0.827 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)n1 ZINC001059852851 751474765 /nfs/dbraw/zinc/47/47/65/751474765.db2.gz DQDHKDPNFBERTD-BARDWOONSA-N 1 1 340.431 0.846 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001025593290 739754794 /nfs/dbraw/zinc/75/47/94/739754794.db2.gz ARMJWYOUSJLDHL-OLZOCXBDSA-N 1 1 344.419 0.824 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)cn1 ZINC001025598875 739764372 /nfs/dbraw/zinc/76/43/72/739764372.db2.gz CETHJIUSWSBAHK-ZBFHGGJFSA-N 1 1 342.443 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001025605652 739770456 /nfs/dbraw/zinc/77/04/56/739770456.db2.gz KBTYECZKDPPIJW-ZIAGYGMSSA-N 1 1 328.416 0.905 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N ZINC001058654656 739808685 /nfs/dbraw/zinc/80/86/85/739808685.db2.gz DCTQVSNEKBUPFK-HNNXBMFYSA-N 1 1 340.468 0.595 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4C[C@@]45CCOC5)C[C@H]32)c[nH]1 ZINC001025745500 739913886 /nfs/dbraw/zinc/91/38/86/739913886.db2.gz POCUWLIHKIWHOC-BHOIQGAFSA-N 1 1 326.400 0.973 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2(F)F)C1=O ZINC001025771743 739935002 /nfs/dbraw/zinc/93/50/02/739935002.db2.gz AZHLRBPMIXECBW-FPYNETTCSA-N 1 1 325.359 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC2(F)F)C1=O ZINC001025817060 739990979 /nfs/dbraw/zinc/99/09/79/739990979.db2.gz XTJGXXNRQINWRZ-ITGHMWBKSA-N 1 1 339.386 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3noc(C)n3)C[C@H]21 ZINC001025814115 739996993 /nfs/dbraw/zinc/99/69/93/739996993.db2.gz XIIRZXDXJLFSLM-HVQZGBDUSA-N 1 1 343.431 0.583 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3noc(C)n3)C[C@H]21 ZINC001025814115 739996997 /nfs/dbraw/zinc/99/69/97/739996997.db2.gz XIIRZXDXJLFSLM-HVQZGBDUSA-N 1 1 343.431 0.583 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3noc(C)n3)C[C@H]21 ZINC001025814116 739997271 /nfs/dbraw/zinc/99/72/71/739997271.db2.gz XIIRZXDXJLFSLM-VMMWWAARSA-N 1 1 343.431 0.583 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3noc(C)n3)C[C@H]21 ZINC001025814116 739997274 /nfs/dbraw/zinc/99/72/74/739997274.db2.gz XIIRZXDXJLFSLM-VMMWWAARSA-N 1 1 343.431 0.583 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N ZINC001058662937 740024364 /nfs/dbraw/zinc/02/43/64/740024364.db2.gz CYFVVDQHWRGWMO-GJZGRUSLSA-N 1 1 338.452 0.204 20 30 ECEDMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CC#Cc2ccccc2)C1 ZINC001087384270 740031787 /nfs/dbraw/zinc/03/17/87/740031787.db2.gz DFCVUXHJTHLHEF-XSLAGTTESA-N 1 1 337.423 0.692 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070007004 790307850 /nfs/dbraw/zinc/30/78/50/790307850.db2.gz UEUJOYZJSQFDCC-BMFZPTHFSA-N 1 1 341.419 0.789 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070007004 790307856 /nfs/dbraw/zinc/30/78/56/790307856.db2.gz UEUJOYZJSQFDCC-BMFZPTHFSA-N 1 1 341.419 0.789 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008195 790310451 /nfs/dbraw/zinc/31/04/51/790310451.db2.gz VWVQDUZVYPKUOP-JONQDZQNSA-N 1 1 332.452 0.536 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)C[N@H+]1CC[C@@H](C)C1)CCO2 ZINC001068464100 790321525 /nfs/dbraw/zinc/32/15/25/790321525.db2.gz XBKVZBZGRGEAKC-MRXNPFEDSA-N 1 1 347.459 0.427 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)CCO2 ZINC001068463218 790317369 /nfs/dbraw/zinc/31/73/69/790317369.db2.gz BSCWHFXOVPJLBK-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001025937553 740266240 /nfs/dbraw/zinc/26/62/40/740266240.db2.gz OWSNKUAPSXDTTL-MTSZKFMLSA-N 1 1 338.411 0.616 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001025937553 740266243 /nfs/dbraw/zinc/26/62/43/740266243.db2.gz OWSNKUAPSXDTTL-MTSZKFMLSA-N 1 1 338.411 0.616 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001038344302 740296424 /nfs/dbraw/zinc/29/64/24/740296424.db2.gz GZXYNJVKXHUSTD-CQSZACIVSA-N 1 1 331.420 0.503 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001038344302 740296429 /nfs/dbraw/zinc/29/64/29/740296429.db2.gz GZXYNJVKXHUSTD-CQSZACIVSA-N 1 1 331.420 0.503 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001026057035 740344342 /nfs/dbraw/zinc/34/43/42/740344342.db2.gz STRWZLTUVZRFJS-ICELYOSQSA-N 1 1 347.459 0.540 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006575715 751537402 /nfs/dbraw/zinc/53/74/02/751537402.db2.gz NUPJXFMCLVFREP-UAGQMJEPSA-N 1 1 346.475 0.141 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCO[C@H](C)C4)C[C@H]32)nn1 ZINC001026094177 740370235 /nfs/dbraw/zinc/37/02/35/740370235.db2.gz JGPBNQUZHDPOPY-NPCUJANDSA-N 1 1 345.447 0.939 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccncc2C#N)C1 ZINC001104794159 740514254 /nfs/dbraw/zinc/51/42/54/740514254.db2.gz AOAGCHNROWTRSL-WMLDXEAASA-N 1 1 345.447 0.743 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccncc2C#N)C1 ZINC001104794159 740514255 /nfs/dbraw/zinc/51/42/55/740514255.db2.gz AOAGCHNROWTRSL-WMLDXEAASA-N 1 1 345.447 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnns2)C1 ZINC000973913615 740582926 /nfs/dbraw/zinc/58/29/26/740582926.db2.gz XACAQYCCLDCJRF-TUAOUCFPSA-N 1 1 333.417 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnns2)C1 ZINC000973913615 740582929 /nfs/dbraw/zinc/58/29/29/740582929.db2.gz XACAQYCCLDCJRF-TUAOUCFPSA-N 1 1 333.417 0.013 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC000982071187 751561359 /nfs/dbraw/zinc/56/13/59/751561359.db2.gz BKQLIRDOLQQIEZ-UHFFFAOYSA-N 1 1 346.431 0.427 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974045813 740835307 /nfs/dbraw/zinc/83/53/07/740835307.db2.gz UGFMSNPIANGWPU-GUTXKFCHSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000974106909 740941106 /nfs/dbraw/zinc/94/11/06/740941106.db2.gz GALHAESGMVNTKJ-XQHKEYJVSA-N 1 1 325.359 0.503 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000974106909 740941109 /nfs/dbraw/zinc/94/11/09/740941109.db2.gz GALHAESGMVNTKJ-XQHKEYJVSA-N 1 1 325.359 0.503 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cccn2CC)C1 ZINC000974154217 741023855 /nfs/dbraw/zinc/02/38/55/741023855.db2.gz IJLRDDSWVDHLSV-UXLLHSPISA-N 1 1 342.443 0.983 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cccn2CC)C1 ZINC000974154217 741023858 /nfs/dbraw/zinc/02/38/58/741023858.db2.gz IJLRDDSWVDHLSV-UXLLHSPISA-N 1 1 342.443 0.983 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1cnc(C)nc1 ZINC001038366737 741096897 /nfs/dbraw/zinc/09/68/97/741096897.db2.gz IVLYJZVFDDWQIO-IRXDYDNUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1cnc(C)nc1 ZINC001038366737 741096902 /nfs/dbraw/zinc/09/69/02/741096902.db2.gz IVLYJZVFDDWQIO-IRXDYDNUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1ncc(Cl)n1C ZINC001038366958 741119240 /nfs/dbraw/zinc/11/92/40/741119240.db2.gz LCPIQDGXFHMALX-KGLIPLIRSA-N 1 1 349.866 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1ncc(Cl)n1C ZINC001038366958 741119242 /nfs/dbraw/zinc/11/92/42/741119242.db2.gz LCPIQDGXFHMALX-KGLIPLIRSA-N 1 1 349.866 0.862 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(CC)n3)[C@H]2C)C1=O ZINC001088555551 751626460 /nfs/dbraw/zinc/62/64/60/751626460.db2.gz LVYDURNPWFZXOI-VNHYZAJKSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CC)n3)[C@H]2C)C1=O ZINC001088555551 751626461 /nfs/dbraw/zinc/62/64/61/751626461.db2.gz LVYDURNPWFZXOI-VNHYZAJKSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)CCc3cn[nH]c3)CC2)C1=O ZINC000982132141 751630233 /nfs/dbraw/zinc/63/02/33/751630233.db2.gz JNLZKTHJNOGNAR-INIZCTEOSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)CCc3cn[nH]c3)CC2)C1=O ZINC000982132141 751630234 /nfs/dbraw/zinc/63/02/34/751630234.db2.gz JNLZKTHJNOGNAR-INIZCTEOSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCC(NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001026520138 741508250 /nfs/dbraw/zinc/50/82/50/741508250.db2.gz HQALSTFCSSITKB-WXRRBKDZSA-N 1 1 332.408 0.222 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3CCC)C2)nn1 ZINC001105249428 741553091 /nfs/dbraw/zinc/55/30/91/741553091.db2.gz URIUTVFZSMHDOP-UHFFFAOYSA-N 1 1 329.408 0.857 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(F)cncc3F)C2)nn1 ZINC001105249373 741553191 /nfs/dbraw/zinc/55/31/91/741553191.db2.gz RVQQONCRJKCRHU-UHFFFAOYSA-N 1 1 334.330 0.924 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc4ccnn43)C2)nn1 ZINC001105256629 741571192 /nfs/dbraw/zinc/57/11/92/741571192.db2.gz LBDIITZPYYKAHF-UHFFFAOYSA-N 1 1 338.375 0.294 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cncc(COC)c3)C2)nn1 ZINC001105262355 741593932 /nfs/dbraw/zinc/59/39/32/741593932.db2.gz XKXKECNRPMISHI-UHFFFAOYSA-N 1 1 342.403 0.792 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4n(n3)CCCC4)C2)nn1 ZINC001105268387 741610137 /nfs/dbraw/zinc/61/01/37/741610137.db2.gz LUIXUMOSHKEJCU-UHFFFAOYSA-N 1 1 341.419 0.784 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCCC(=O)N3)C2)nn1 ZINC001105278933 741634755 /nfs/dbraw/zinc/63/47/55/741634755.db2.gz ZSJXWGRLPJVRKH-CYBMUJFWSA-N 1 1 346.435 0.386 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)CCC(F)F)C2)nn1 ZINC001105285708 741645548 /nfs/dbraw/zinc/64/55/48/741645548.db2.gz UKVNYVFVIKTOIT-UHFFFAOYSA-N 1 1 343.378 0.999 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](OC)[C@@H]3CCOC3)C2)nn1 ZINC001105292376 741656341 /nfs/dbraw/zinc/65/63/41/741656341.db2.gz MIGRKIHXMLSUFF-CZUORRHYSA-N 1 1 349.435 0.379 20 30 ECEDMO C=CCCC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001058726609 741659987 /nfs/dbraw/zinc/65/99/87/741659987.db2.gz FFPRLHXHYHEWEP-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCCC1(C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001058726610 741660024 /nfs/dbraw/zinc/66/00/24/741660024.db2.gz FFPRLHXHYHEWEP-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1nccnc1C#N)C(C)C ZINC001105301715 741692400 /nfs/dbraw/zinc/69/24/00/741692400.db2.gz VNTJJEDUHIGEOF-HOTGVXAUSA-N 1 1 340.431 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1nccnc1C#N)C(C)C ZINC001105301715 741692402 /nfs/dbraw/zinc/69/24/02/741692402.db2.gz VNTJJEDUHIGEOF-HOTGVXAUSA-N 1 1 340.431 0.999 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1ccnc(C#N)n1 ZINC001105302618 741695980 /nfs/dbraw/zinc/69/59/80/741695980.db2.gz PSOXKDMPYUKYIK-HZSPNIEDSA-N 1 1 346.435 0.042 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1ccnc(C#N)n1 ZINC001105302618 741695983 /nfs/dbraw/zinc/69/59/83/741695983.db2.gz PSOXKDMPYUKYIK-HZSPNIEDSA-N 1 1 346.435 0.042 20 30 ECEDMO CC#CCCCC(=O)N1CC(n2cc(C[NH2+]C[C@H](C)OC)nn2)C1 ZINC001105308694 741711017 /nfs/dbraw/zinc/71/10/17/741711017.db2.gz TVAFMVIOVJDSLD-AWEZNQCLSA-N 1 1 333.436 0.980 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC000982154206 751662040 /nfs/dbraw/zinc/66/20/40/751662040.db2.gz WHZYPRZSTURZLU-ZDUSSCGKSA-N 1 1 327.450 0.179 20 30 ECEDMO C=CCCCC(=O)N1CC(n2cc(C[NH2+]CCOCCO)nn2)C1 ZINC001105317084 741751269 /nfs/dbraw/zinc/75/12/69/741751269.db2.gz HPLQZJXBISLNTF-UHFFFAOYSA-N 1 1 337.424 0.116 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000982161196 751668359 /nfs/dbraw/zinc/66/83/59/751668359.db2.gz JPGNGHYWGAFKRR-HNNXBMFYSA-N 1 1 327.432 0.707 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N3CCOCC3)C2)C1 ZINC000982160433 751668431 /nfs/dbraw/zinc/66/84/31/751668431.db2.gz XSQDNTTXKVUYBP-KRWDZBQOSA-N 1 1 331.460 0.655 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327022 741807735 /nfs/dbraw/zinc/80/77/35/741807735.db2.gz OVKRYVBRHMGZKT-CQSZACIVSA-N 1 1 332.452 0.669 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3=CCOCC3)C(C)(C)C2)C1=O ZINC000974498921 741811400 /nfs/dbraw/zinc/81/14/00/741811400.db2.gz FVAKQQUKMWHCRL-JKSUJKDBSA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3=CCOCC3)C(C)(C)C2)C1=O ZINC000974498921 741811405 /nfs/dbraw/zinc/81/14/05/741811405.db2.gz FVAKQQUKMWHCRL-JKSUJKDBSA-N 1 1 347.459 0.947 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)nn1 ZINC001105328507 741819240 /nfs/dbraw/zinc/81/92/40/741819240.db2.gz HWTNMMGXVQPMTQ-UHFFFAOYSA-N 1 1 332.452 0.362 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3ncc[nH]3)C(C)(C)C2)C1=O ZINC000974567670 741901377 /nfs/dbraw/zinc/90/13/77/741901377.db2.gz MEDKRAKSZOTIHR-OLZOCXBDSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3ncc[nH]3)C(C)(C)C2)C1=O ZINC000974567670 741901381 /nfs/dbraw/zinc/90/13/81/741901381.db2.gz MEDKRAKSZOTIHR-OLZOCXBDSA-N 1 1 331.420 0.637 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974834765 742237416 /nfs/dbraw/zinc/23/74/16/742237416.db2.gz JIESMDIGXXIDLU-AWEZNQCLSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000974865910 742272141 /nfs/dbraw/zinc/27/21/41/742272141.db2.gz XSISRGOQGMUAEH-OAHLLOKOSA-N 1 1 339.403 0.521 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C(C)(C)C1 ZINC000974876912 742280670 /nfs/dbraw/zinc/28/06/70/742280670.db2.gz JZDDPCZFUXLNCZ-GJZGRUSLSA-N 1 1 329.448 0.999 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C(C)(C)C1 ZINC000974888636 742308040 /nfs/dbraw/zinc/30/80/40/742308040.db2.gz XAQDVOJMGFPFLB-DZGCQCFKSA-N 1 1 330.432 0.997 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C(C)(C)C1 ZINC000974888636 742308046 /nfs/dbraw/zinc/30/80/46/742308046.db2.gz XAQDVOJMGFPFLB-DZGCQCFKSA-N 1 1 330.432 0.997 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC000974984081 742433043 /nfs/dbraw/zinc/43/30/43/742433043.db2.gz AIXOAVOHJPQCSK-LALPHHSUSA-N 1 1 345.403 0.569 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccnc3c2nnn3C)C(C)(C)C1 ZINC000974987919 742436552 /nfs/dbraw/zinc/43/65/52/742436552.db2.gz UHMGHEAGXRLXDX-ZDUSSCGKSA-N 1 1 326.404 0.827 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C(C)(C)C1 ZINC000974990298 742438294 /nfs/dbraw/zinc/43/82/94/742438294.db2.gz YXQKWEDGTIRXNJ-BBRMVZONSA-N 1 1 329.448 0.770 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105336995 742440003 /nfs/dbraw/zinc/44/00/03/742440003.db2.gz OVXAXMNQCQWEFA-UHFFFAOYSA-N 1 1 342.407 0.295 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+]([C@H](CC)C(N)=O)CC2(C)C)c1 ZINC000975010037 742445051 /nfs/dbraw/zinc/44/50/51/742445051.db2.gz GKGGIHJFRBEYOY-CABCVRRESA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+]([C@H](CC)C(N)=O)CC2(C)C)c1 ZINC000975010037 742445054 /nfs/dbraw/zinc/44/50/54/742445054.db2.gz GKGGIHJFRBEYOY-CABCVRRESA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC2(C)C)c1 ZINC000975010865 742445737 /nfs/dbraw/zinc/44/57/37/742445737.db2.gz JJPAUFYPOMJUIJ-LSDHHAIUSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC2(C)C)c1 ZINC000975010865 742445742 /nfs/dbraw/zinc/44/57/42/742445742.db2.gz JJPAUFYPOMJUIJ-LSDHHAIUSA-N 1 1 326.400 0.392 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000975186554 742598845 /nfs/dbraw/zinc/59/88/45/742598845.db2.gz NXHRIGJPMWFMCE-UKRRQHHQSA-N 1 1 343.431 0.806 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000975212416 742609748 /nfs/dbraw/zinc/60/97/48/742609748.db2.gz DPWLAXFRBBNQJL-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000975328262 742721628 /nfs/dbraw/zinc/72/16/28/742721628.db2.gz KPETZCOFAPOKLR-YESZJQIVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000975328262 742721631 /nfs/dbraw/zinc/72/16/31/742721631.db2.gz KPETZCOFAPOKLR-YESZJQIVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000975363989 742755175 /nfs/dbraw/zinc/75/51/75/742755175.db2.gz XLUVABLOYAJMTP-JYJNAYRXSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000975363989 742755180 /nfs/dbraw/zinc/75/51/80/742755180.db2.gz XLUVABLOYAJMTP-JYJNAYRXSA-N 1 1 335.448 0.474 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1 ZINC000982250011 751761839 /nfs/dbraw/zinc/76/18/39/751761839.db2.gz HFAWCPGDKFTNFX-PJSAGSTRSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC001020536079 751772137 /nfs/dbraw/zinc/77/21/37/751772137.db2.gz YMRHKTXYHCHFOQ-GVXVVHGQSA-N 1 1 333.392 0.615 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001028937036 742921938 /nfs/dbraw/zinc/92/19/38/742921938.db2.gz BFGAPZWBJQGFOO-UONOGXRCSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccn(C)n3)C2)C1=O ZINC001028982203 743071653 /nfs/dbraw/zinc/07/16/53/743071653.db2.gz HADJEYIHTQNYNT-HIFRSBDPSA-N 1 1 331.420 0.259 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(Cc3ccnn3C)C2)CC1 ZINC001029000410 743146521 /nfs/dbraw/zinc/14/65/21/743146521.db2.gz ATFPVENUTXOWOJ-MRXNPFEDSA-N 1 1 343.475 0.703 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC000983459551 743220096 /nfs/dbraw/zinc/22/00/96/743220096.db2.gz MAZHILWFEVWAKP-IIAWOOMASA-N 1 1 345.447 0.532 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)cn1 ZINC000997103562 743239894 /nfs/dbraw/zinc/23/98/94/743239894.db2.gz JXMYXWZLHBWMEO-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001027234030 743246045 /nfs/dbraw/zinc/24/60/45/743246045.db2.gz OJCRHEGXLPQKLJ-RDJZCZTQSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1ccon1 ZINC000975854287 743356261 /nfs/dbraw/zinc/35/62/61/743356261.db2.gz QJABDRGUSIPPND-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1ccon1 ZINC000975854287 743356269 /nfs/dbraw/zinc/35/62/69/743356269.db2.gz QJABDRGUSIPPND-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1cncc(C#N)n1 ZINC001126472724 743403396 /nfs/dbraw/zinc/40/33/96/743403396.db2.gz MPUPFMAAJAFHPM-HNNXBMFYSA-N 1 1 346.435 0.402 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000997251436 743408710 /nfs/dbraw/zinc/40/87/10/743408710.db2.gz ZPLUAXHTFFYAES-INIZCTEOSA-N 1 1 325.412 0.489 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC(NCc3nonc3C)CC2)CC1 ZINC000997362848 743534241 /nfs/dbraw/zinc/53/42/41/743534241.db2.gz CVLXGRQKPIGMLC-UHFFFAOYSA-N 1 1 345.447 0.804 20 30 ECEDMO C[C@H]([NH2+]Cc1nnn(C)n1)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001029083781 743599373 /nfs/dbraw/zinc/59/93/73/743599373.db2.gz DJBLUGSQYKNOOK-NSHDSACASA-N 1 1 342.407 0.440 20 30 ECEDMO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn(CCOC)nn3)C[C@@]2(C)C1 ZINC000982276628 751841075 /nfs/dbraw/zinc/84/10/75/751841075.db2.gz XGJMNNHSACNXIM-HDICACEKSA-N 1 1 345.447 0.732 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1 ZINC000976158844 743634952 /nfs/dbraw/zinc/63/49/52/743634952.db2.gz HTIZYGDIBNWWKZ-XUWVNRHRSA-N 1 1 327.384 0.564 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1 ZINC000976158844 743634957 /nfs/dbraw/zinc/63/49/57/743634957.db2.gz HTIZYGDIBNWWKZ-XUWVNRHRSA-N 1 1 327.384 0.564 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)O1 ZINC001059871010 751852676 /nfs/dbraw/zinc/85/26/76/751852676.db2.gz OQJBUJCWHWMERA-REBRKWNGSA-N 1 1 329.404 0.731 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)O1 ZINC001059871010 751852680 /nfs/dbraw/zinc/85/26/80/751852680.db2.gz OQJBUJCWHWMERA-REBRKWNGSA-N 1 1 329.404 0.731 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000988321049 751853942 /nfs/dbraw/zinc/85/39/42/751853942.db2.gz YGUALRYJMDBKPJ-HOTGVXAUSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000988321049 751853951 /nfs/dbraw/zinc/85/39/51/751853951.db2.gz YGUALRYJMDBKPJ-HOTGVXAUSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccn[nH]1 ZINC000976312627 743820446 /nfs/dbraw/zinc/82/04/46/743820446.db2.gz PNQBGWJSSIWYSK-FMKPAKJESA-N 1 1 343.431 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccn[nH]1 ZINC000976312627 743820453 /nfs/dbraw/zinc/82/04/53/743820453.db2.gz PNQBGWJSSIWYSK-FMKPAKJESA-N 1 1 343.431 0.665 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976336162 743833817 /nfs/dbraw/zinc/83/38/17/743833817.db2.gz MDTOHGDSKHTBEK-VIKVFOODSA-N 1 1 338.371 0.278 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976360245 743875466 /nfs/dbraw/zinc/87/54/66/743875466.db2.gz AQZUHZAZLDOXGF-UYLCMAPUSA-N 1 1 341.415 0.271 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)O1 ZINC001059873051 751873066 /nfs/dbraw/zinc/87/30/66/751873066.db2.gz SDTSGGSBLDHBAR-NRWUCQMLSA-N 1 1 330.392 0.126 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)O1 ZINC001059873051 751873076 /nfs/dbraw/zinc/87/30/76/751873076.db2.gz SDTSGGSBLDHBAR-NRWUCQMLSA-N 1 1 330.392 0.126 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000998051347 743948538 /nfs/dbraw/zinc/94/85/38/743948538.db2.gz ISQZCSPRFGFHSL-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000998154259 744011350 /nfs/dbraw/zinc/01/13/50/744011350.db2.gz IPSLXBWSWCSIMW-CABCVRRESA-N 1 1 341.477 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC000998175876 744030468 /nfs/dbraw/zinc/03/04/68/744030468.db2.gz YHGRYWBJZPDNAH-GFCCVEGCSA-N 1 1 348.403 0.846 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC000998186323 744037313 /nfs/dbraw/zinc/03/73/13/744037313.db2.gz FXARYQPANPWUCA-ROUUACIJSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000998195849 744043632 /nfs/dbraw/zinc/04/36/32/744043632.db2.gz ICBGBKQNLBUNET-CQSZACIVSA-N 1 1 346.435 0.103 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000976545909 744068355 /nfs/dbraw/zinc/06/83/55/744068355.db2.gz LJRRDHYWUSHNDI-DZTUFKMZSA-N 1 1 347.459 0.492 20 30 ECEDMO C[N@H+](CC(=O)N1CCOCC1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405121 744202450 /nfs/dbraw/zinc/20/24/50/744202450.db2.gz BVMNZTCSKJEXEA-INIZCTEOSA-N 1 1 333.432 0.181 20 30 ECEDMO C[N@@H+](CC(=O)N1CCOCC1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405121 744202453 /nfs/dbraw/zinc/20/24/53/744202453.db2.gz BVMNZTCSKJEXEA-INIZCTEOSA-N 1 1 333.432 0.181 20 30 ECEDMO COCc1noc(C[NH2+]C2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998604789 744251107 /nfs/dbraw/zinc/25/11/07/744251107.db2.gz QIDVLXGOGGDFFD-UHFFFAOYSA-N 1 1 344.375 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)SC)C[C@H]21 ZINC000976740157 744252030 /nfs/dbraw/zinc/25/20/30/744252030.db2.gz MCZRQAUUCNMDBQ-MRLBHPIUSA-N 1 1 335.473 0.409 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)SC)C[C@H]21 ZINC000976740157 744252035 /nfs/dbraw/zinc/25/20/35/744252035.db2.gz MCZRQAUUCNMDBQ-MRLBHPIUSA-N 1 1 335.473 0.409 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC34CCC4)C[C@H]21 ZINC000976733640 744257513 /nfs/dbraw/zinc/25/75/13/744257513.db2.gz APBPOHFSLGOOMA-BQJWPVKWSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC34CCC4)C[C@H]21 ZINC000976733640 744257515 /nfs/dbraw/zinc/25/75/15/744257515.db2.gz APBPOHFSLGOOMA-BQJWPVKWSA-N 1 1 341.455 0.847 20 30 ECEDMO CN(C)c1noc(C[NH2+]C2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998646888 744266585 /nfs/dbraw/zinc/26/65/85/744266585.db2.gz UFPNMJMMKDFWJV-UHFFFAOYSA-N 1 1 343.391 0.728 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC000998754825 744315780 /nfs/dbraw/zinc/31/57/80/744315780.db2.gz PTQYKKTVJJXGIL-STQMWFEESA-N 1 1 347.423 0.265 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C ZINC000998848123 744370477 /nfs/dbraw/zinc/37/04/77/744370477.db2.gz FAVYMXHOCAZZQX-JQWIXIFHSA-N 1 1 328.380 0.365 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998847772 744370598 /nfs/dbraw/zinc/37/05/98/744370598.db2.gz CRDOWWCVPYWYFB-CYBMUJFWSA-N 1 1 327.392 0.892 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001027432340 744378402 /nfs/dbraw/zinc/37/84/02/744378402.db2.gz AMOOYIKFFOTDKJ-OAHLLOKOSA-N 1 1 329.400 0.720 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nncn1C ZINC000998959998 744431275 /nfs/dbraw/zinc/43/12/75/744431275.db2.gz CKQKEVAQAZAYTE-AAEUAGOBSA-N 1 1 327.392 0.970 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@H]32)cn1 ZINC000976910593 744486845 /nfs/dbraw/zinc/48/68/45/744486845.db2.gz AQFCNPVXFCKONE-VQFNDLOPSA-N 1 1 349.394 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2occc2Cl)C1 ZINC000999157198 744540509 /nfs/dbraw/zinc/54/05/09/744540509.db2.gz VTONYEVGTKEJCH-ZDUSSCGKSA-N 1 1 335.791 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2occc2Cl)C1 ZINC000999157198 744540511 /nfs/dbraw/zinc/54/05/11/744540511.db2.gz VTONYEVGTKEJCH-ZDUSSCGKSA-N 1 1 335.791 0.971 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306562 751927702 /nfs/dbraw/zinc/92/77/02/751927702.db2.gz TXOGQYYWKWMZBZ-RWQQGDIJSA-N 1 1 333.476 0.899 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000977032878 744597269 /nfs/dbraw/zinc/59/72/69/744597269.db2.gz YCRXQUBBJGBVRI-QXSJWSMHSA-N 1 1 349.475 0.881 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000977032878 744597271 /nfs/dbraw/zinc/59/72/71/744597271.db2.gz YCRXQUBBJGBVRI-QXSJWSMHSA-N 1 1 349.475 0.881 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC000999324748 744628651 /nfs/dbraw/zinc/62/86/51/744628651.db2.gz YFJPFMDOJANNFS-HZPDHXFCSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2sccc2-n2cnnn2)C1 ZINC001027476861 744702171 /nfs/dbraw/zinc/70/21/71/744702171.db2.gz XOTZQNGHDMPVGM-GFCCVEGCSA-N 1 1 330.417 0.893 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001027485293 744749474 /nfs/dbraw/zinc/74/94/74/744749474.db2.gz WYYSXONTUMQKMO-CQSZACIVSA-N 1 1 332.404 0.059 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2OCC(N)=O)C1 ZINC001027487040 744749763 /nfs/dbraw/zinc/74/97/63/744749763.db2.gz XLNYPHYGBMQHCG-CQSZACIVSA-N 1 1 329.400 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cccnc1 ZINC000977273714 744828481 /nfs/dbraw/zinc/82/84/81/744828481.db2.gz NOOABHFBDZYFGL-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cccnc1 ZINC000977273714 744828483 /nfs/dbraw/zinc/82/84/83/744828483.db2.gz NOOABHFBDZYFGL-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C(C)(C)C1 ZINC000977322767 744867026 /nfs/dbraw/zinc/86/70/26/744867026.db2.gz VITCVWRSCKAUQE-CQSZACIVSA-N 1 1 341.415 0.795 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001006906538 751964267 /nfs/dbraw/zinc/96/42/67/751964267.db2.gz UDWPMGBRMHOHRJ-IMJJTQAJSA-N 1 1 346.431 0.746 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000977461653 745044400 /nfs/dbraw/zinc/04/44/00/745044400.db2.gz LTZVALOKUQWPOZ-LBPRGKRZSA-N 1 1 330.392 0.434 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)on3)nn2)C1 ZINC000999942894 745076847 /nfs/dbraw/zinc/07/68/47/745076847.db2.gz JSUZOLMTQBLQPG-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(=O)[nH]n3)nn2)C1 ZINC000999954226 745093402 /nfs/dbraw/zinc/09/34/02/745093402.db2.gz YICZIUXXQKSSQP-ZDUSSCGKSA-N 1 1 343.391 0.527 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCc2cn([C@H]3CC[N@H+](CCCO)C3)nn2)c1 ZINC000999970282 745117901 /nfs/dbraw/zinc/11/79/01/745117901.db2.gz BKJPXEYALORIDU-AWEZNQCLSA-N 1 1 343.391 0.037 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC000999970666 745118566 /nfs/dbraw/zinc/11/85/66/745118566.db2.gz DBYALKBSYORTKO-IAQYHMDHSA-N 1 1 343.391 0.035 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC000999970667 745118626 /nfs/dbraw/zinc/11/86/26/745118626.db2.gz DBYALKBSYORTKO-NHYWBVRUSA-N 1 1 343.391 0.035 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC000999970665 745118673 /nfs/dbraw/zinc/11/86/73/745118673.db2.gz DBYALKBSYORTKO-ABAIWWIYSA-N 1 1 343.391 0.035 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc[nH]c(=O)c3)nn2)C1 ZINC000999971277 745119340 /nfs/dbraw/zinc/11/93/40/745119340.db2.gz NOMFYHIIKYJJGE-CQSZACIVSA-N 1 1 326.360 0.189 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(OC)no3)nn2)C1 ZINC000999975765 745124601 /nfs/dbraw/zinc/12/46/01/745124601.db2.gz QIXZAWJQEYLMBD-CYBMUJFWSA-N 1 1 344.375 0.475 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC000999975988 745124868 /nfs/dbraw/zinc/12/48/68/745124868.db2.gz SNHBZIHBICSFKM-INIZCTEOSA-N 1 1 337.387 0.678 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(C)c3)nn2)C1 ZINC000999978154 745126685 /nfs/dbraw/zinc/12/66/85/745126685.db2.gz FMRNDRLHZKORNU-INIZCTEOSA-N 1 1 326.404 0.817 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccc3O)nn2)C1 ZINC000999978150 745127108 /nfs/dbraw/zinc/12/71/08/745127108.db2.gz FKYAWTISZQYFSS-CQSZACIVSA-N 1 1 340.387 0.579 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC2(C)C)nc1 ZINC000977514208 745134655 /nfs/dbraw/zinc/13/46/55/745134655.db2.gz OLVPGDXCQPABKU-JKSUJKDBSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC2(C)C)nc1 ZINC000977514208 745134661 /nfs/dbraw/zinc/13/46/61/745134661.db2.gz OLVPGDXCQPABKU-JKSUJKDBSA-N 1 1 340.427 0.782 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1 ZINC001006919018 751975074 /nfs/dbraw/zinc/97/50/74/751975074.db2.gz HKNXYAXCNWNJPN-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1 ZINC001006919018 751975079 /nfs/dbraw/zinc/97/50/79/751975079.db2.gz HKNXYAXCNWNJPN-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1 ZINC000999988315 745144181 /nfs/dbraw/zinc/14/41/81/745144181.db2.gz TYUFEOJBWMQJFG-OAGGEKHMSA-N 1 1 349.435 0.115 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnc4n3CCC4)nn2)C1 ZINC000999988819 745145207 /nfs/dbraw/zinc/14/52/07/745145207.db2.gz BDBSXXXJAVKHBN-AWEZNQCLSA-N 1 1 341.419 0.784 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc4n(n3)CCC4)nn2)C1 ZINC000999991930 745149245 /nfs/dbraw/zinc/14/92/45/745149245.db2.gz MRKRXZUCMAINFR-OAHLLOKOSA-N 1 1 339.403 0.231 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@]34C[C@H]3COC4)nn2)C1 ZINC000999992154 745149489 /nfs/dbraw/zinc/14/94/89/745149489.db2.gz OOSQOVNQNYDSOP-QRTARXTBSA-N 1 1 329.404 0.201 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@]34C[C@H]3COC4)nn2)C1 ZINC000999993466 745152209 /nfs/dbraw/zinc/15/22/09/745152209.db2.gz TWQKJWZLIXMNLQ-LXZKKBNFSA-N 1 1 329.404 0.201 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(CC)n3)nn2)C1 ZINC000999993915 745152924 /nfs/dbraw/zinc/15/29/24/745152924.db2.gz WYYFQSIPFATDFB-CQSZACIVSA-N 1 1 342.407 0.090 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CC)C2)nn1 ZINC000999996182 745155406 /nfs/dbraw/zinc/15/54/06/745155406.db2.gz IRTPGEZXBUJBJM-CVEARBPZSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncc4ccccn43)nn2)C1 ZINC001000002031 745165169 /nfs/dbraw/zinc/16/51/69/745165169.db2.gz GQRJZVACLCKDDU-INIZCTEOSA-N 1 1 349.398 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]nc3CC)nn2)C1 ZINC001000004364 745171008 /nfs/dbraw/zinc/17/10/08/745171008.db2.gz SRTHNZUQABSYSC-ZDUSSCGKSA-N 1 1 327.392 0.374 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)nn2)C1 ZINC001000011435 745180093 /nfs/dbraw/zinc/18/00/93/745180093.db2.gz VRUXJZOHVSUEED-CAOSSQGBSA-N 1 1 331.420 0.610 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3CC)nn2)C1 ZINC001000019737 745189881 /nfs/dbraw/zinc/18/98/81/745189881.db2.gz VXCAMPINZRVDIH-OAGGEKHMSA-N 1 1 331.420 0.589 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C(N)=O)co3)nn2)C1 ZINC001000019672 745189918 /nfs/dbraw/zinc/18/99/18/745189918.db2.gz FMJYPTLINXWBKQ-ZDUSSCGKSA-N 1 1 344.375 0.333 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]c(C)nc3C)nn2)C1 ZINC001000021037 745192420 /nfs/dbraw/zinc/19/24/20/745192420.db2.gz OHIPKPWNLUPTTD-CQSZACIVSA-N 1 1 329.408 0.981 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C4CC4)n[nH]3)nn2)C1 ZINC001000026186 745197561 /nfs/dbraw/zinc/19/75/61/745197561.db2.gz SUGDIGRBEVCLRU-AWEZNQCLSA-N 1 1 339.403 0.689 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)n[nH]c3C)nn2)C1 ZINC001000026623 745198646 /nfs/dbraw/zinc/19/86/46/745198646.db2.gz BHEITOIQXMHEET-OAHLLOKOSA-N 1 1 341.419 0.818 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001075770773 745201737 /nfs/dbraw/zinc/20/17/37/745201737.db2.gz LJBHPXCGOWHQOK-YESZJQIVSA-N 1 1 328.416 0.190 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)nc3C)nn2)C1 ZINC001000029923 745203744 /nfs/dbraw/zinc/20/37/44/745203744.db2.gz PCGJABKRAZCZTE-OAHLLOKOSA-N 1 1 339.403 0.495 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C#C)cn3)nn2)C1 ZINC001000033699 745207907 /nfs/dbraw/zinc/20/79/07/745207907.db2.gz DGENTMVLRCFZBS-KRWDZBQOSA-N 1 1 348.410 0.855 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccn(C)c1 ZINC000977567547 745213441 /nfs/dbraw/zinc/21/34/41/745213441.db2.gz KJVZGQFOOQKADV-SJORKVTESA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccn(C)c1 ZINC000977567547 745213448 /nfs/dbraw/zinc/21/34/48/745213448.db2.gz KJVZGQFOOQKADV-SJORKVTESA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3coc(COC)n3)nn2)C1 ZINC001000037388 745215602 /nfs/dbraw/zinc/21/56/02/745215602.db2.gz REEGLZLXGZFEEO-CYBMUJFWSA-N 1 1 344.375 0.223 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001000038866 745217798 /nfs/dbraw/zinc/21/77/98/745217798.db2.gz ZMCZBVXGAHQYHG-AWEZNQCLSA-N 1 1 325.376 0.268 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCN3C(C)=O)nn2)C1 ZINC001000043887 745224300 /nfs/dbraw/zinc/22/43/00/745224300.db2.gz SFERAGIIQHKUIK-JKSUJKDBSA-N 1 1 346.435 0.338 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(C(N)=O)c3)nn2)C1 ZINC001000046790 745227914 /nfs/dbraw/zinc/22/79/14/745227914.db2.gz VENNJWBOQLEIKO-ZDUSSCGKSA-N 1 1 343.391 0.068 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000977595485 745232031 /nfs/dbraw/zinc/23/20/31/745232031.db2.gz CCOAYKAZIFQAFR-GXTWGEPZSA-N 1 1 329.404 0.511 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1c[nH]c(C#N)c1 ZINC000977584587 745243923 /nfs/dbraw/zinc/24/39/23/745243923.db2.gz LPFPTRNTXROXNB-CABCVRRESA-N 1 1 329.404 0.653 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(C)n2)C1 ZINC001149175326 745247440 /nfs/dbraw/zinc/24/74/40/745247440.db2.gz PEOXJTDDBHYFRH-MRXNPFEDSA-N 1 1 331.416 0.861 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C)n2)C1 ZINC001149175326 745247444 /nfs/dbraw/zinc/24/74/44/745247444.db2.gz PEOXJTDDBHYFRH-MRXNPFEDSA-N 1 1 331.416 0.861 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)nn1 ZINC001105385023 745261501 /nfs/dbraw/zinc/26/15/01/745261501.db2.gz SFRXRFIQYIGQGY-OAHLLOKOSA-N 1 1 348.451 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CCCOC)C1 ZINC001059234220 745295529 /nfs/dbraw/zinc/29/55/29/745295529.db2.gz KFCLCCVQYYIETH-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CCCOC)C1 ZINC001059234220 745295533 /nfs/dbraw/zinc/29/55/33/745295533.db2.gz KFCLCCVQYYIETH-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cccn3)[C@H]2CC)C1=O ZINC001087502415 745330890 /nfs/dbraw/zinc/33/08/90/745330890.db2.gz HBMYNNYVJJBQDA-XHSDSOJGSA-N 1 1 345.447 0.639 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC001000233279 745370678 /nfs/dbraw/zinc/37/06/78/745370678.db2.gz SNDVSHIGOCFUDM-KFWWJZLASA-N 1 1 333.436 0.970 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)C4CCOCC4)[C@@H]3C2)C1=O ZINC000977734680 745431712 /nfs/dbraw/zinc/43/17/12/745431712.db2.gz IQNFWKQBKNIFEA-WCXIOVBPSA-N 1 1 347.459 0.494 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(C)no3)C2)nn1 ZINC001020706338 752001994 /nfs/dbraw/zinc/00/19/94/752001994.db2.gz VZSMSWHDUPPUQJ-HAQNSBGRSA-N 1 1 331.380 0.596 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977728199 745445801 /nfs/dbraw/zinc/44/58/01/745445801.db2.gz AFLSMDPKUJDGNS-IUODEOHRSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3ccn[nH]3)CC2)C1=O ZINC001000470032 745525028 /nfs/dbraw/zinc/52/50/28/745525028.db2.gz MWKPHYFKRSEHOH-OAHLLOKOSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000977807019 745526980 /nfs/dbraw/zinc/52/69/80/745526980.db2.gz AKFUZCNJCJWNOL-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000977807019 745526981 /nfs/dbraw/zinc/52/69/81/745526981.db2.gz AKFUZCNJCJWNOL-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc[nH]4)[C@@H]3C2)C1=O ZINC000977827198 745543636 /nfs/dbraw/zinc/54/36/36/745543636.db2.gz ZPRSEEKFYRWQTF-HGTKMLMNSA-N 1 1 328.416 0.709 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CCCOC3)CC2)C1=O ZINC001000498864 745548094 /nfs/dbraw/zinc/54/80/94/745548094.db2.gz BYRWQSXWQNWPLB-SJORKVTESA-N 1 1 347.459 0.948 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCN2C(=O)c2ccn[nH]2)CC1 ZINC000977854890 745568954 /nfs/dbraw/zinc/56/89/54/745568954.db2.gz MVNSJYVCJZNYSW-OAHLLOKOSA-N 1 1 343.431 0.428 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 ZINC001075795578 745571254 /nfs/dbraw/zinc/57/12/54/745571254.db2.gz ZBDHGHWIKJXLHS-UONOGXRCSA-N 1 1 333.432 0.880 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105360817 752020787 /nfs/dbraw/zinc/02/07/87/752020787.db2.gz JZDKTQKIEILWRJ-AWEZNQCLSA-N 1 1 332.452 0.669 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C#CC1CC1 ZINC000977922490 745652362 /nfs/dbraw/zinc/65/23/62/745652362.db2.gz WLSKXESZORUCSK-SJORKVTESA-N 1 1 327.428 0.557 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C#CC1CC1 ZINC000977922490 745652363 /nfs/dbraw/zinc/65/23/63/745652363.db2.gz WLSKXESZORUCSK-SJORKVTESA-N 1 1 327.428 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(C)no1 ZINC000977924323 745677599 /nfs/dbraw/zinc/67/75/99/745677599.db2.gz FXRONYLVBQBVOQ-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(C)no1 ZINC000977924323 745677604 /nfs/dbraw/zinc/67/76/04/745677604.db2.gz FXRONYLVBQBVOQ-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)c1 ZINC000977960604 745720385 /nfs/dbraw/zinc/72/03/85/745720385.db2.gz BFRAYWLPOQMFNX-QKDCVEJESA-N 1 1 341.415 0.416 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(OC)cc[nH]c3=O)C2)nn1 ZINC001105360845 752026902 /nfs/dbraw/zinc/02/69/02/752026902.db2.gz KKIJSHZBECLGDO-UHFFFAOYSA-N 1 1 344.375 0.360 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001000725120 745724259 /nfs/dbraw/zinc/72/42/59/745724259.db2.gz OWTTXONCJDHRAI-CYBMUJFWSA-N 1 1 341.371 0.871 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1cnc(C#N)cn1 ZINC001126524185 745737473 /nfs/dbraw/zinc/73/74/73/745737473.db2.gz RWMFDLBHENJNLY-UKRRQHHQSA-N 1 1 346.435 0.115 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCn2cccn2)CC1 ZINC001000787439 745763853 /nfs/dbraw/zinc/76/38/53/745763853.db2.gz GYHUIVSXHVTPCU-SFHVURJKSA-N 1 1 341.459 0.729 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nncs2)CC1 ZINC001000788274 745764819 /nfs/dbraw/zinc/76/48/19/745764819.db2.gz QELWVYCMVUJLJQ-HNNXBMFYSA-N 1 1 345.472 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nncs2)CC1 ZINC001000788274 745764825 /nfs/dbraw/zinc/76/48/25/745764825.db2.gz QELWVYCMVUJLJQ-HNNXBMFYSA-N 1 1 345.472 0.884 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)[nH]1 ZINC000978023790 745788665 /nfs/dbraw/zinc/78/86/65/745788665.db2.gz SYBNGAABQGFAMR-ZSOGYDGISA-N 1 1 327.388 0.073 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001006994277 752032575 /nfs/dbraw/zinc/03/25/75/752032575.db2.gz OHFJNESHOUPJIO-CABCVRRESA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001006994277 752032578 /nfs/dbraw/zinc/03/25/78/752032578.db2.gz OHFJNESHOUPJIO-CABCVRRESA-N 1 1 331.420 0.320 20 30 ECEDMO C[C@H](c1nncn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978024636 745789941 /nfs/dbraw/zinc/78/99/41/745789941.db2.gz VOCODYXVWKZFOM-ZRJCITRHSA-N 1 1 339.403 0.684 20 30 ECEDMO C[C@H](c1nncn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978024636 745789944 /nfs/dbraw/zinc/78/99/44/745789944.db2.gz VOCODYXVWKZFOM-ZRJCITRHSA-N 1 1 339.403 0.684 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001000840010 745817634 /nfs/dbraw/zinc/81/76/34/745817634.db2.gz CKAOOEXYPGBXKP-UHFFFAOYSA-N 1 1 336.457 0.583 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2nc(OC)cc(OC)n2)CC1 ZINC001000847575 745823570 /nfs/dbraw/zinc/82/35/70/745823570.db2.gz LYBCZXYVLBLVCB-UHFFFAOYSA-N 1 1 330.388 0.879 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCC2)cn1 ZINC001028272402 752046523 /nfs/dbraw/zinc/04/65/23/752046523.db2.gz UPVFOORYIVNZDL-INIZCTEOSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCC2)cn1 ZINC001028272402 752046531 /nfs/dbraw/zinc/04/65/31/752046531.db2.gz UPVFOORYIVNZDL-INIZCTEOSA-N 1 1 326.400 0.489 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001000993316 745958870 /nfs/dbraw/zinc/95/88/70/745958870.db2.gz BQELROGOJVNJIO-UHFFFAOYSA-N 1 1 337.387 0.443 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nc(C)nn3C2)CC1 ZINC001000993224 745959037 /nfs/dbraw/zinc/95/90/37/745959037.db2.gz BNPZKILQERUORG-MRXNPFEDSA-N 1 1 327.432 0.921 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)n1cncn1 ZINC001083416590 745967198 /nfs/dbraw/zinc/96/71/98/745967198.db2.gz NZMUASIAYALNOF-WQVCFCJDSA-N 1 1 340.387 0.072 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)n1cncn1 ZINC001083416590 745967203 /nfs/dbraw/zinc/96/72/03/745967203.db2.gz NZMUASIAYALNOF-WQVCFCJDSA-N 1 1 340.387 0.072 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000984179029 745995526 /nfs/dbraw/zinc/99/55/26/745995526.db2.gz YBEGZXZHYJNLMB-HZPDHXFCSA-N 1 1 333.432 0.180 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000984179029 745995528 /nfs/dbraw/zinc/99/55/28/745995528.db2.gz YBEGZXZHYJNLMB-HZPDHXFCSA-N 1 1 333.432 0.180 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](C[C@@H](O)Cn3cccn3)C2)c1 ZINC001007036064 752056981 /nfs/dbraw/zinc/05/69/81/752056981.db2.gz LKVIHPHEGGMNJW-LSDHHAIUSA-N 1 1 342.403 0.338 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1CC ZINC001087570495 746074025 /nfs/dbraw/zinc/07/40/25/746074025.db2.gz UZXXADUZWCTOHA-VHDGCEQUSA-N 1 1 331.420 0.918 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCS3(=O)=O)[C@@H]2C1 ZINC000978246403 746077396 /nfs/dbraw/zinc/07/73/96/746077396.db2.gz GNPKDNIIJBXVNW-APIJFGDWSA-N 1 1 326.462 0.824 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H]1CC ZINC001087584866 746095661 /nfs/dbraw/zinc/09/56/61/746095661.db2.gz BRVPUNFTZBAEOV-UONOGXRCSA-N 1 1 332.452 0.963 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@@H+]([C@H](C)C(=O)N(C)C)CC2)c1 ZINC001001128578 746098398 /nfs/dbraw/zinc/09/83/98/746098398.db2.gz LLOVPSCDTAABCC-CQSZACIVSA-N 1 1 340.427 0.902 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(NC(C)=O)cn3)[C@@H]2C1 ZINC000978271538 746121176 /nfs/dbraw/zinc/12/11/76/746121176.db2.gz LYNIPLGQBGFZOR-PHZGNYQRSA-N 1 1 326.400 0.971 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4cc[nH]cc-4c3=O)[C@@H]2C1 ZINC000978254026 746123368 /nfs/dbraw/zinc/12/33/68/746123368.db2.gz JSUIXYMYZMOHOV-DVSIDAKKSA-N 1 1 336.395 0.854 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001001161956 746126242 /nfs/dbraw/zinc/12/62/42/746126242.db2.gz ZFPQJIDHBVDKSI-SJORKVTESA-N 1 1 338.411 0.928 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001001161956 746126245 /nfs/dbraw/zinc/12/62/45/746126245.db2.gz ZFPQJIDHBVDKSI-SJORKVTESA-N 1 1 338.411 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3ccon3)C[C@H]21 ZINC000978279922 746141706 /nfs/dbraw/zinc/14/17/06/746141706.db2.gz HHRDCEQVKPVHKT-NXOAAHMSSA-N 1 1 328.416 0.566 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3ccon3)C[C@H]21 ZINC000978279922 746141707 /nfs/dbraw/zinc/14/17/07/746141707.db2.gz HHRDCEQVKPVHKT-NXOAAHMSSA-N 1 1 328.416 0.566 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC000978279922 746141709 /nfs/dbraw/zinc/14/17/09/746141709.db2.gz HHRDCEQVKPVHKT-NXOAAHMSSA-N 1 1 328.416 0.566 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC000978279922 746141710 /nfs/dbraw/zinc/14/17/10/746141710.db2.gz HHRDCEQVKPVHKT-NXOAAHMSSA-N 1 1 328.416 0.566 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@H]1CC ZINC001087646934 746143927 /nfs/dbraw/zinc/14/39/27/746143927.db2.gz AWDLALXCZKKNHB-SOUVJXGZSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)c4ccccc43)[C@@H]2C1 ZINC000978305412 746152313 /nfs/dbraw/zinc/15/23/13/746152313.db2.gz YHPJIGYMJAVSHE-XLAORIBOSA-N 1 1 337.423 0.831 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001059352049 746181094 /nfs/dbraw/zinc/18/10/94/746181094.db2.gz OANYYZNOQJMAIT-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001001255012 746213411 /nfs/dbraw/zinc/21/34/11/746213411.db2.gz USOHZQHCMCAHBM-UHFFFAOYSA-N 1 1 346.431 0.689 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001001257703 746216744 /nfs/dbraw/zinc/21/67/44/746216744.db2.gz YPBNHCZIPYGAJJ-BBWFWOEESA-N 1 1 347.459 0.995 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cn[nH]n4)[C@@H]3C2)s1 ZINC000978397008 746278651 /nfs/dbraw/zinc/27/86/51/746278651.db2.gz SZBIOBSJIHNNBP-XYYAHUGASA-N 1 1 328.401 0.846 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn[nH]4)[C@@H]3C2)s1 ZINC000978397008 746278652 /nfs/dbraw/zinc/27/86/52/746278652.db2.gz SZBIOBSJIHNNBP-XYYAHUGASA-N 1 1 328.401 0.846 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn[nH]4)[C@@H]3C2)s1 ZINC000978397008 746278655 /nfs/dbraw/zinc/27/86/55/746278655.db2.gz SZBIOBSJIHNNBP-XYYAHUGASA-N 1 1 328.401 0.846 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC000978401295 746290362 /nfs/dbraw/zinc/29/03/62/746290362.db2.gz CFXLUGDIOZWQAJ-SYQHCUMBSA-N 1 1 331.420 0.416 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ccncn3)C2)C1=O ZINC001027620388 746305554 /nfs/dbraw/zinc/30/55/54/746305554.db2.gz FILFAOPTXJHWHK-GOEBONIOSA-N 1 1 343.431 0.800 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1=CC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001001379059 746324833 /nfs/dbraw/zinc/32/48/33/746324833.db2.gz PFIDGFPTRNMHTK-ZDUSSCGKSA-N 1 1 342.399 0.329 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1=CC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001001379059 746324838 /nfs/dbraw/zinc/32/48/38/746324838.db2.gz PFIDGFPTRNMHTK-ZDUSSCGKSA-N 1 1 342.399 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@@H]3CCN(C)C3=O)CC2)cn1 ZINC001001380193 746326640 /nfs/dbraw/zinc/32/66/40/746326640.db2.gz DBKSZGQPGKDESM-QGZVFWFLSA-N 1 1 338.411 0.656 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+]([C@@H](C)C(=O)NC)CC2)cn1 ZINC001001381268 746328171 /nfs/dbraw/zinc/32/81/71/746328171.db2.gz NANSYNQLHJVJEJ-ZDUSSCGKSA-N 1 1 326.400 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@@H](C)C(=O)NC)CC2)cn1 ZINC001001381268 746328174 /nfs/dbraw/zinc/32/81/74/746328174.db2.gz NANSYNQLHJVJEJ-ZDUSSCGKSA-N 1 1 326.400 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccn2)C1 ZINC000978514118 746389895 /nfs/dbraw/zinc/38/98/95/746389895.db2.gz QXRJFCHSTQFXSA-UXLLHSPISA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccn2)C1 ZINC000978514118 746389902 /nfs/dbraw/zinc/38/99/02/746389902.db2.gz QXRJFCHSTQFXSA-UXLLHSPISA-N 1 1 340.427 0.804 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3CC3CCC3)[C@@H]2C1 ZINC000978527258 746406386 /nfs/dbraw/zinc/40/63/86/746406386.db2.gz RFCAAAAXKUFNLU-FJIDUMEYSA-N 1 1 333.476 0.967 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nnc(C)n3C2)CC1 ZINC001001468740 746410106 /nfs/dbraw/zinc/41/01/06/746410106.db2.gz VUGJBOMZELKOIB-MRXNPFEDSA-N 1 1 327.432 0.921 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2coc(Br)c2)[C@@H](O)C1 ZINC001083503391 755758875 /nfs/dbraw/zinc/75/88/75/755758875.db2.gz QDGYCXQPTSDMCB-MNOVXSKESA-N 1 1 327.178 0.840 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001001484187 746422723 /nfs/dbraw/zinc/42/27/23/746422723.db2.gz ZEDSYSGNTVHXOW-UHFFFAOYSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2cn(C)nn2)CC1 ZINC001001491385 746429120 /nfs/dbraw/zinc/42/91/20/746429120.db2.gz ITFGENAVUFVGOG-KRWDZBQOSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2cn(C)nn2)CC1 ZINC001001491385 746429123 /nfs/dbraw/zinc/42/91/23/746429123.db2.gz ITFGENAVUFVGOG-KRWDZBQOSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001059887721 752090989 /nfs/dbraw/zinc/09/09/89/752090989.db2.gz WWSBEVMCEXGTGH-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nc3[C@H]3CCOC3)[C@@H]2C1 ZINC000978559327 746440449 /nfs/dbraw/zinc/44/04/49/746440449.db2.gz UXGIROXNKGCTNA-ZQDZILKHSA-N 1 1 328.416 0.465 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001027641598 746470424 /nfs/dbraw/zinc/47/04/24/746470424.db2.gz MEFKVNTZUSBNBK-OAHLLOKOSA-N 1 1 331.420 0.799 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@H]2CCCN(C(=O)CCC)C2)C1=O ZINC001087853654 746506675 /nfs/dbraw/zinc/50/66/75/746506675.db2.gz BAAPPJMINPIKEY-HOTGVXAUSA-N 1 1 337.464 0.859 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC001027653839 746569835 /nfs/dbraw/zinc/56/98/35/746569835.db2.gz INRTVVGDSAMHBP-KGLIPLIRSA-N 1 1 344.415 0.504 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000978699322 746594702 /nfs/dbraw/zinc/59/47/02/746594702.db2.gz VDLUFUNDAGMRFZ-KCQAQPDRSA-N 1 1 343.431 0.853 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](CC)C(N)=O)C2)cn1 ZINC001027656203 746595106 /nfs/dbraw/zinc/59/51/06/746595106.db2.gz LYQQMVSTZDQHNQ-HZPDHXFCSA-N 1 1 328.416 0.863 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@H](CC)C(N)=O)C2)cn1 ZINC001027656204 746595185 /nfs/dbraw/zinc/59/51/85/746595185.db2.gz LYQQMVSTZDQHNQ-JKSUJKDBSA-N 1 1 328.416 0.863 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000978736225 746650818 /nfs/dbraw/zinc/65/08/18/746650818.db2.gz TWLPDPFXNAZLPS-KCQAQPDRSA-N 1 1 343.431 0.853 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)c[nH]1 ZINC001087940009 746693994 /nfs/dbraw/zinc/69/39/94/746693994.db2.gz GPYBRXPPBZSFTJ-HIFRSBDPSA-N 1 1 339.403 0.572 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CN(C(C)=O)C3)C[C@@H]2C1 ZINC001087948123 746714644 /nfs/dbraw/zinc/71/46/44/746714644.db2.gz KJJOUVZWGPYRBT-KGLIPLIRSA-N 1 1 325.840 0.998 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CN(C(C)=O)C3)C[C@@H]2C1 ZINC001087948123 746714650 /nfs/dbraw/zinc/71/46/50/746714650.db2.gz KJJOUVZWGPYRBT-KGLIPLIRSA-N 1 1 325.840 0.998 20 30 ECEDMO Cn1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1=O ZINC001007142623 752119696 /nfs/dbraw/zinc/11/96/96/752119696.db2.gz IVZJUTICRBXMOL-OAHLLOKOSA-N 1 1 339.399 0.979 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000978828495 746757146 /nfs/dbraw/zinc/75/71/46/746757146.db2.gz ABFFDONQJBDAIB-MCIONIFRSA-N 1 1 346.435 0.040 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@@H]2C1 ZINC001087984458 746829160 /nfs/dbraw/zinc/82/91/60/746829160.db2.gz BTRPXGUEQIHHGK-ZNMIVQPWSA-N 1 1 333.432 0.880 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000978876691 746843018 /nfs/dbraw/zinc/84/30/18/746843018.db2.gz YGQNCUBMITUSQN-NRKLIOEPSA-N 1 1 349.475 0.930 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](N(C)[C@H](CC)C(N)=O)C2)CC1 ZINC001027693523 746857433 /nfs/dbraw/zinc/85/74/33/746857433.db2.gz DMLWERWUTGPKRC-IAGOWNOFSA-N 1 1 348.491 0.518 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H]3CCc4ncnn43)C2)[nH]1 ZINC001007151136 752130441 /nfs/dbraw/zinc/13/04/41/752130441.db2.gz JSVRITHFKBSBOG-KGLIPLIRSA-N 1 1 339.403 0.860 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cccnn4)[C@@H]3C2)C1=O ZINC000978920340 746897169 /nfs/dbraw/zinc/89/71/69/746897169.db2.gz YHNMXGMNGHFUNF-HGTKMLMNSA-N 1 1 341.415 0.171 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)Cn3ccnc3)C2)C1=O ZINC001027702234 746916067 /nfs/dbraw/zinc/91/60/67/746916067.db2.gz YNEUSYDCJQATNN-HOTGVXAUSA-N 1 1 345.447 0.593 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001038453002 746931886 /nfs/dbraw/zinc/93/18/86/746931886.db2.gz XLSQEEBPCDGCFD-LLVKDONJSA-N 1 1 327.406 0.697 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001007155106 752136133 /nfs/dbraw/zinc/13/61/33/752136133.db2.gz JCPKLASIRKKSRR-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@@H]2C1 ZINC001087992278 746951668 /nfs/dbraw/zinc/95/16/68/746951668.db2.gz NIGBJNGNUGGHPU-OWCLPIDISA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@@H]2C1 ZINC001087992278 746951669 /nfs/dbraw/zinc/95/16/69/746951669.db2.gz NIGBJNGNUGGHPU-OWCLPIDISA-N 1 1 338.473 0.757 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041987000 782554496 /nfs/dbraw/zinc/55/44/96/782554496.db2.gz VRHGDCIDPVDHBB-CJNGLKHVSA-N 1 1 326.400 0.856 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007157303 752139137 /nfs/dbraw/zinc/13/91/37/752139137.db2.gz SIAXCEITKDRXJL-RBUKOAKNSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007157303 752139140 /nfs/dbraw/zinc/13/91/40/752139140.db2.gz SIAXCEITKDRXJL-RBUKOAKNSA-N 1 1 341.455 0.949 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CN=NC3=O)C2)cc1 ZINC001007163752 752145785 /nfs/dbraw/zinc/14/57/85/752145785.db2.gz YXUARFKGTYNJNW-HNNXBMFYSA-N 1 1 340.387 0.636 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001002216468 747093049 /nfs/dbraw/zinc/09/30/49/747093049.db2.gz PAFOQTDRXYNUOH-UAGQMJEPSA-N 1 1 349.475 0.884 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@@H]2C1 ZINC001088033468 747110473 /nfs/dbraw/zinc/11/04/73/747110473.db2.gz LMDHSQKRFIUXLV-CABCVRRESA-N 1 1 346.431 0.470 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001002235911 747112224 /nfs/dbraw/zinc/11/22/24/747112224.db2.gz CNYKBTSDNZCLRX-CXAGYDPISA-N 1 1 340.427 0.591 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@@H]2C1 ZINC001088052551 747157446 /nfs/dbraw/zinc/15/74/46/747157446.db2.gz WJBPLLKORGCQDX-KGLIPLIRSA-N 1 1 339.403 0.637 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001088058744 747168043 /nfs/dbraw/zinc/16/80/43/747168043.db2.gz PTTGGZPTEXSLDS-KGLIPLIRSA-N 1 1 344.415 0.542 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccnc(-n4cncn4)c3)[C@@H]2C1 ZINC000979107545 747190151 /nfs/dbraw/zinc/19/01/51/747190151.db2.gz QTHLMIMGVFBFRT-PHZGNYQRSA-N 1 1 336.399 0.593 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3nnc4c3CCCC4)C[C@@H]2C1 ZINC001088109479 747403192 /nfs/dbraw/zinc/40/31/92/747403192.db2.gz HSXZWDAVTMXLOX-CVEARBPZSA-N 1 1 341.459 0.961 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@@H]2C1 ZINC001088114313 747418980 /nfs/dbraw/zinc/41/89/80/747418980.db2.gz HBAZHFWLROUIOK-KFWWJZLASA-N 1 1 330.436 0.592 20 30 ECEDMO C[C@@H]([NH2+]Cc1cc(F)ccc1C#N)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979231842 747430982 /nfs/dbraw/zinc/43/09/82/747430982.db2.gz DNZDOTDMISOEIF-IAQYHMDHSA-N 1 1 348.378 0.278 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088128119 747448596 /nfs/dbraw/zinc/44/85/96/747448596.db2.gz ZNLNJDWRSTVLMA-OAGGEKHMSA-N 1 1 338.473 0.615 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088128119 747448598 /nfs/dbraw/zinc/44/85/98/747448598.db2.gz ZNLNJDWRSTVLMA-OAGGEKHMSA-N 1 1 338.473 0.615 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C[C@@H]2C1 ZINC001088137098 747472013 /nfs/dbraw/zinc/47/20/13/747472013.db2.gz YCDGIGSRQZHKCF-ILXRZTDVSA-N 1 1 341.477 0.377 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000979261777 747486103 /nfs/dbraw/zinc/48/61/03/747486103.db2.gz LCPGMIOVBWXZOK-YQQAZPJKSA-N 1 1 340.427 0.639 20 30 ECEDMO N#CCSCC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCCO1 ZINC001149239407 752188385 /nfs/dbraw/zinc/18/83/85/752188385.db2.gz ZYRQCKRLKKOCOS-LSDHHAIUSA-N 1 1 341.477 0.877 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001088149720 747525921 /nfs/dbraw/zinc/52/59/21/747525921.db2.gz SJJLOVUVXCOFKO-KGLIPLIRSA-N 1 1 344.415 0.542 20 30 ECEDMO Cc1nnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)[nH]1 ZINC000979288408 747540912 /nfs/dbraw/zinc/54/09/12/747540912.db2.gz FWEIDLCBVJAHCH-QMTHXVAHSA-N 1 1 343.391 0.332 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@@H]2C1 ZINC001088156538 747550038 /nfs/dbraw/zinc/55/00/38/747550038.db2.gz SGEVYNPNAXEBKU-CABCVRRESA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@@H]2C1 ZINC001088156538 747550042 /nfs/dbraw/zinc/55/00/42/747550042.db2.gz SGEVYNPNAXEBKU-CABCVRRESA-N 1 1 338.473 0.757 20 30 ECEDMO C[C@H]([NH2+]Cc1ccon1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979295170 747558534 /nfs/dbraw/zinc/55/85/34/747558534.db2.gz QVJZODIVPFJLAA-XHDPSFHLSA-N 1 1 329.360 0.894 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C)n[nH]2)C1=O ZINC001027774451 747592001 /nfs/dbraw/zinc/59/20/01/747592001.db2.gz FCSQULZZOXJPMT-HIFRSBDPSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C)n[nH]2)C1=O ZINC001027774451 747592006 /nfs/dbraw/zinc/59/20/06/747592006.db2.gz FCSQULZZOXJPMT-HIFRSBDPSA-N 1 1 331.420 0.699 20 30 ECEDMO O=C(CN1CN=NC1=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001002647187 747613105 /nfs/dbraw/zinc/61/31/05/747613105.db2.gz FBSXNYCMMMUMCI-UHFFFAOYSA-N 1 1 339.399 0.616 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H]([C@H](C)[NH2+]Cc3cn(C)nn3)C2)C1 ZINC000979380188 747707600 /nfs/dbraw/zinc/70/76/00/747707600.db2.gz PKWADPWLTJUNHJ-ZFWWWQNUSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC001088194828 747708857 /nfs/dbraw/zinc/70/88/57/747708857.db2.gz YMGAPVRWXVFNOK-OLZOCXBDSA-N 1 1 329.404 0.546 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]2C1 ZINC001088216076 747753494 /nfs/dbraw/zinc/75/34/94/747753494.db2.gz PAFHPLYZCRXHOT-KGLIPLIRSA-N 1 1 326.400 0.598 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]2C1 ZINC001088215830 747757869 /nfs/dbraw/zinc/75/78/69/747757869.db2.gz DFSWITMHKRWROM-KGLIPLIRSA-N 1 1 326.400 0.598 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)s1 ZINC001027793155 747780766 /nfs/dbraw/zinc/78/07/66/747780766.db2.gz ZBUPABJJZQKXTD-SMDDNHRTSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)s1 ZINC001027793155 747780771 /nfs/dbraw/zinc/78/07/71/747780771.db2.gz ZBUPABJJZQKXTD-SMDDNHRTSA-N 1 1 332.429 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 ZINC001088230877 747783402 /nfs/dbraw/zinc/78/34/02/747783402.db2.gz BKTIHPOLTVJPGS-ZWKOTPCHSA-N 1 1 349.475 0.280 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001088230755 747783727 /nfs/dbraw/zinc/78/37/27/747783727.db2.gz YORHTFDRRGHPFS-IAGOWNOFSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001088232901 747788518 /nfs/dbraw/zinc/78/85/18/747788518.db2.gz CCBCXBNGTDJXLR-INIZCTEOSA-N 1 1 345.447 0.782 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3ccnn3C)CC2)C1 ZINC001088233201 747790375 /nfs/dbraw/zinc/79/03/75/747790375.db2.gz KILIBOCWXRFQKQ-GOSISDBHSA-N 1 1 344.459 0.925 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 ZINC001088234676 747804387 /nfs/dbraw/zinc/80/43/87/747804387.db2.gz ZOJZGFXMCCAQSZ-IAGOWNOFSA-N 1 1 347.459 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]Cc3cnon3)C2)cn1 ZINC000979435199 747831975 /nfs/dbraw/zinc/83/19/75/747831975.db2.gz UQYVKHSNDVMDIZ-MLGOLLRUSA-N 1 1 341.371 0.465 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2snnc2C)C1 ZINC001002830827 747848638 /nfs/dbraw/zinc/84/86/38/747848638.db2.gz WIKSPEDLMSSUBI-ZDUSSCGKSA-N 1 1 347.444 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2snnc2C)C1 ZINC001002830827 747848642 /nfs/dbraw/zinc/84/86/42/747848642.db2.gz WIKSPEDLMSSUBI-ZDUSSCGKSA-N 1 1 347.444 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001002835817 747857100 /nfs/dbraw/zinc/85/71/00/747857100.db2.gz QAKIWIGNQPLRDN-HZMVEIRTSA-N 1 1 329.444 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001002835817 747857109 /nfs/dbraw/zinc/85/71/09/747857109.db2.gz QAKIWIGNQPLRDN-HZMVEIRTSA-N 1 1 329.444 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000979445554 747884559 /nfs/dbraw/zinc/88/45/59/747884559.db2.gz HBTHOIJEBWSFQN-YHUYYLMFSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000979445554 747884561 /nfs/dbraw/zinc/88/45/61/747884561.db2.gz HBTHOIJEBWSFQN-YHUYYLMFSA-N 1 1 333.432 0.274 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)n1C ZINC000988504878 752223024 /nfs/dbraw/zinc/22/30/24/752223024.db2.gz ZUVVEUAPQMJLGC-WCQYABFASA-N 1 1 341.419 0.970 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001027805200 747920387 /nfs/dbraw/zinc/92/03/87/747920387.db2.gz PCVBHISHWWKYDO-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)CC(C)(C)O)CC2)C1=O ZINC000985406730 747921659 /nfs/dbraw/zinc/92/16/59/747921659.db2.gz OYDGDSNEEPEXMI-HNNXBMFYSA-N 1 1 337.464 0.857 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@](CNCC#N)(c3ccccc3)C2)C1 ZINC001105415094 747937995 /nfs/dbraw/zinc/93/79/95/747937995.db2.gz ZYSMOCDRFBMMNL-JENIJYKNSA-N 1 1 342.443 0.647 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@](CNCC#N)(c3ccccc3)C2)C1 ZINC001105415094 747937997 /nfs/dbraw/zinc/93/79/97/747937997.db2.gz ZYSMOCDRFBMMNL-JENIJYKNSA-N 1 1 342.443 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cccc(=O)[nH]2)C1=O ZINC001027811118 747968923 /nfs/dbraw/zinc/96/89/23/747968923.db2.gz AXTSMKHCZUKTLS-HIFRSBDPSA-N 1 1 344.415 0.768 20 30 ECEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029684580 748056829 /nfs/dbraw/zinc/05/68/29/748056829.db2.gz XFTVQFNHZGLSEN-OAHLLOKOSA-N 1 1 344.415 0.745 20 30 ECEDMO C[N@@H+](C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1CCC(=O)NC1=O ZINC001029690953 748071217 /nfs/dbraw/zinc/07/12/17/748071217.db2.gz LAVLMYISJLSFAB-BXUZGUMPSA-N 1 1 343.387 0.085 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001029691125 748087988 /nfs/dbraw/zinc/08/79/88/748087988.db2.gz ATIYMCGOZLVESO-SWLSCSKDSA-N 1 1 329.404 0.511 20 30 ECEDMO Cn1ncc(C[N@H+](C)C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001029710196 748117155 /nfs/dbraw/zinc/11/71/55/748117155.db2.gz OKUYEQGYKKOEOF-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001029710196 748117160 /nfs/dbraw/zinc/11/71/60/748117160.db2.gz OKUYEQGYKKOEOF-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979610212 748117866 /nfs/dbraw/zinc/11/78/66/748117866.db2.gz ADRBMLPRYSJCTC-XNRPHZJLSA-N 1 1 343.431 0.995 20 30 ECEDMO C[N@@H+](C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@H]1CCC(=O)NC1=O ZINC001029708641 748122810 /nfs/dbraw/zinc/12/28/10/748122810.db2.gz VGMMCZMKIIAIBX-RISCZKNCSA-N 1 1 343.387 0.085 20 30 ECEDMO C[N@@H+](C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@H]1CCCNC1=O ZINC001029712654 748125063 /nfs/dbraw/zinc/12/50/63/748125063.db2.gz XREACIWUFRQPPM-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979639654 748149134 /nfs/dbraw/zinc/14/91/34/748149134.db2.gz FABOSHABONGPNO-WHOFXGATSA-N 1 1 329.404 0.605 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(CCOC)nn3)C[C@H]2C1 ZINC000979724965 748292681 /nfs/dbraw/zinc/29/26/81/748292681.db2.gz QLMZCFOYAOSRED-JYJNAYRXSA-N 1 1 345.447 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC)C[C@H]1OCC ZINC000982460392 752264309 /nfs/dbraw/zinc/26/43/09/752264309.db2.gz KNXPQPLGNAPGKX-OWCLPIDISA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC)C[C@H]1OCC ZINC000982460392 752264313 /nfs/dbraw/zinc/26/43/13/752264313.db2.gz KNXPQPLGNAPGKX-OWCLPIDISA-N 1 1 335.448 0.474 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C[C@H]2CCc3ncnn32)c[nH]1 ZINC001027835420 748382480 /nfs/dbraw/zinc/38/24/80/748382480.db2.gz CHEAHYZWZVUASJ-HUUCEWRRSA-N 1 1 339.403 0.860 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cccn2)c[nH]1 ZINC001027836777 748405940 /nfs/dbraw/zinc/40/59/40/748405940.db2.gz YCHCFTBDOFOXPZ-HOTGVXAUSA-N 1 1 342.403 0.338 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCOCC3=O)C[C@@H]2C1 ZINC000979797193 748413286 /nfs/dbraw/zinc/41/32/86/748413286.db2.gz PBLRXDWJXSZQQU-XHSDSOJGSA-N 1 1 333.432 0.085 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cc(C)cn3)C2)nn1 ZINC001098630403 748425156 /nfs/dbraw/zinc/42/51/56/748425156.db2.gz QPPDQDHYMHXDHE-INIZCTEOSA-N 1 1 343.435 0.922 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccnc4c3nnn4C)C[C@@]2(C)C1 ZINC000982474428 752279300 /nfs/dbraw/zinc/27/93/00/752279300.db2.gz CFWALRXHFFRXNO-HDICACEKSA-N 1 1 338.415 0.781 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000979858145 748537898 /nfs/dbraw/zinc/53/78/98/748537898.db2.gz XHPFAODTUYHHHM-HHARLNAUSA-N 1 1 349.475 0.930 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC001003468923 748586624 /nfs/dbraw/zinc/58/66/24/748586624.db2.gz YMPUPTOVHKLUBZ-CJNGLKHVSA-N 1 1 340.427 0.449 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)c(F)c1 ZINC001003533050 748652339 /nfs/dbraw/zinc/65/23/39/748652339.db2.gz JTZQYKLVBQKWFL-OAHLLOKOSA-N 1 1 345.378 0.459 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC000982478110 752294038 /nfs/dbraw/zinc/29/40/38/752294038.db2.gz HWTCLNPEADZOSQ-AWEZNQCLSA-N 1 1 343.431 0.333 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2CC(OC)C2)C1 ZINC000979954176 748747375 /nfs/dbraw/zinc/74/73/75/748747375.db2.gz RQFKFMQZYJJMFE-OQBQERNKSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2CC(OC)C2)C1 ZINC000979954176 748747379 /nfs/dbraw/zinc/74/73/79/748747379.db2.gz RQFKFMQZYJJMFE-OQBQERNKSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000979967549 748759899 /nfs/dbraw/zinc/75/98/99/748759899.db2.gz MRZGLAVIEAYFQJ-MTSZKFMLSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000979967549 748759900 /nfs/dbraw/zinc/75/99/00/748759900.db2.gz MRZGLAVIEAYFQJ-MTSZKFMLSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CCOCC2)C1 ZINC000979967478 748759914 /nfs/dbraw/zinc/75/99/14/748759914.db2.gz LXRSHBHLWKXFGW-XIRDDKMYSA-N 1 1 345.443 0.442 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=CCOCC2)C1 ZINC000979967478 748759919 /nfs/dbraw/zinc/75/99/19/748759919.db2.gz LXRSHBHLWKXFGW-XIRDDKMYSA-N 1 1 345.443 0.442 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC000979968215 748761373 /nfs/dbraw/zinc/76/13/73/748761373.db2.gz RBBLXJNNFDPJPI-YHUYYLMFSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC000979968215 748761377 /nfs/dbraw/zinc/76/13/77/748761377.db2.gz RBBLXJNNFDPJPI-YHUYYLMFSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccon1 ZINC001003675210 748783640 /nfs/dbraw/zinc/78/36/40/748783640.db2.gz RSHXNAUZTUGVLK-OJLVUWQFSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccon1 ZINC001003675210 748783644 /nfs/dbraw/zinc/78/36/44/748783644.db2.gz RSHXNAUZTUGVLK-OJLVUWQFSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)OC ZINC001003675217 748783749 /nfs/dbraw/zinc/78/37/49/748783749.db2.gz RYZVZZXDBCPSRD-SUJAAXHWSA-N 1 1 333.432 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)OC ZINC001003675217 748783755 /nfs/dbraw/zinc/78/37/55/748783755.db2.gz RYZVZZXDBCPSRD-SUJAAXHWSA-N 1 1 333.432 0.367 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)NC)CC2)nn1 ZINC001003766885 748875409 /nfs/dbraw/zinc/87/54/09/748875409.db2.gz UJBQTZLMQUJWAR-LBPRGKRZSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)[C@@H](CC)C(N)=O)CC2)nn1 ZINC000985696097 748883492 /nfs/dbraw/zinc/88/34/92/748883492.db2.gz RLRVATHAWCMWQX-AWEZNQCLSA-N 1 1 334.424 0.264 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)[C@H]3CCNC3=O)CC2)nc1 ZINC000985759251 749025420 /nfs/dbraw/zinc/02/54/20/749025420.db2.gz GKCPUVKQFHENME-INIZCTEOSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001003936312 749062518 /nfs/dbraw/zinc/06/25/18/749062518.db2.gz IQVRJTCMXOQYAW-LBPRGKRZSA-N 1 1 332.404 0.714 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C)c(C(N)=O)cn3)C[C@@H]2C1 ZINC000980152807 749076121 /nfs/dbraw/zinc/07/61/21/749076121.db2.gz GADCQXXNHOSHJP-RRFJBIMHSA-N 1 1 340.427 0.952 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC000980162505 749093668 /nfs/dbraw/zinc/09/36/68/749093668.db2.gz PRZRKRZJYUUTBO-YESZJQIVSA-N 1 1 348.491 0.601 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001059647711 749107737 /nfs/dbraw/zinc/10/77/37/749107737.db2.gz FHCWUBSSWUAITD-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cocn3)CC2)CC1 ZINC000985825216 749181805 /nfs/dbraw/zinc/18/18/05/749181805.db2.gz KYUQLMDPQIQWDJ-UHFFFAOYSA-N 1 1 345.403 0.193 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]2C1 ZINC000980209918 749188526 /nfs/dbraw/zinc/18/85/26/749188526.db2.gz NSEZMEFSDIAAJL-MELADBBJSA-N 1 1 346.431 0.167 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]2C1 ZINC000980210304 749189904 /nfs/dbraw/zinc/18/99/04/749189904.db2.gz XORDTUPAOFRSCB-RWMBFGLXSA-N 1 1 342.403 0.434 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)ccc3=O)C[C@@H]2C1 ZINC000980211794 749191089 /nfs/dbraw/zinc/19/10/89/749191089.db2.gz HQTFWQGXMJMLLB-XHSDSOJGSA-N 1 1 330.432 0.954 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 ZINC000980248761 749237541 /nfs/dbraw/zinc/23/75/41/749237541.db2.gz VSNCDDOFUFWRDN-ZNMIVQPWSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cccnn3)C2)C1=O ZINC001029871907 749241280 /nfs/dbraw/zinc/24/12/80/749241280.db2.gz ACJIOVMKKRKKAV-GOEBONIOSA-N 1 1 343.431 0.657 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980252740 749258469 /nfs/dbraw/zinc/25/84/69/749258469.db2.gz LERFMOLUELXJMR-BFHYXJOUSA-N 1 1 346.431 0.892 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980253336 749259601 /nfs/dbraw/zinc/25/96/01/749259601.db2.gz NKXWENNJHRYFBK-MJBXVCDLSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C(N)=O)cn3)C[C@@H]2C1 ZINC000980255311 749261608 /nfs/dbraw/zinc/26/16/08/749261608.db2.gz JHMDNRBEUCWOBP-ZNMIVQPWSA-N 1 1 326.400 0.644 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)OCCOC)C2)nn1 ZINC001098739067 749312201 /nfs/dbraw/zinc/31/22/01/749312201.db2.gz CIUQIXKEALZXAQ-DZGCQCFKSA-N 1 1 337.424 0.379 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000980383894 749481842 /nfs/dbraw/zinc/48/18/42/749481842.db2.gz WSBJFHAGVRGZBO-JTQLQIEISA-N 1 1 326.784 0.385 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000980383894 749481847 /nfs/dbraw/zinc/48/18/47/749481847.db2.gz WSBJFHAGVRGZBO-JTQLQIEISA-N 1 1 326.784 0.385 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC001004455981 749521851 /nfs/dbraw/zinc/52/18/51/749521851.db2.gz LFJBABZLTNUQJC-DYVFJYSZSA-N 1 1 340.427 0.449 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001004471555 749540140 /nfs/dbraw/zinc/54/01/40/749540140.db2.gz AQABIMJLZSGMOM-MRXNPFEDSA-N 1 1 345.447 0.308 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001004476497 749546949 /nfs/dbraw/zinc/54/69/49/749546949.db2.gz YGHSEUHVYRKFIH-HNNXBMFYSA-N 1 1 333.436 0.471 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3nonc3C)C2)C1=O ZINC001029914685 749588228 /nfs/dbraw/zinc/58/82/28/749588228.db2.gz AVFXNABDPZQRMW-KGLIPLIRSA-N 1 1 347.419 0.559 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001004533082 749601984 /nfs/dbraw/zinc/60/19/84/749601984.db2.gz GVZCOTSAGHOLPW-HZMVEIRTSA-N 1 1 349.475 0.882 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000980473448 749623658 /nfs/dbraw/zinc/62/36/58/749623658.db2.gz LCPGMIOVBWXZOK-BFYDXBDKSA-N 1 1 340.427 0.639 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1C ZINC000986181933 749640813 /nfs/dbraw/zinc/64/08/13/749640813.db2.gz HHRWEGWYIOJDAN-AAEUAGOBSA-N 1 1 341.419 0.970 20 30 ECEDMO C[C@@H]1[C@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000986186136 749645197 /nfs/dbraw/zinc/64/51/97/749645197.db2.gz PNCNNZYUQSSTOU-BXUZGUMPSA-N 1 1 345.382 0.840 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001004576123 749649299 /nfs/dbraw/zinc/64/92/99/749649299.db2.gz CSQAVQSWHCBUKD-GJZGRUSLSA-N 1 1 348.447 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ncnn1CC ZINC001027943403 749658862 /nfs/dbraw/zinc/65/88/62/749658862.db2.gz MXWNXZQNLMYPRL-CVEARBPZSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ncnn1CC ZINC001027943403 749658867 /nfs/dbraw/zinc/65/88/67/749658867.db2.gz MXWNXZQNLMYPRL-CVEARBPZSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cnsn1 ZINC001027942245 749664930 /nfs/dbraw/zinc/66/49/30/749664930.db2.gz ATAKUQSTNIISRS-CABCVRRESA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cnsn1 ZINC001027942245 749664939 /nfs/dbraw/zinc/66/49/39/749664939.db2.gz ATAKUQSTNIISRS-CABCVRRESA-N 1 1 333.461 0.716 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncoc3C)[C@H]2C)C1=O ZINC001088486399 749668578 /nfs/dbraw/zinc/66/85/78/749668578.db2.gz JAIMOWXUAQHFNB-KWCYVHTRSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncoc3C)[C@H]2C)C1=O ZINC001088486399 749668583 /nfs/dbraw/zinc/66/85/83/749668583.db2.gz JAIMOWXUAQHFNB-KWCYVHTRSA-N 1 1 332.404 0.963 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC(N)=O)CC2)cn1 ZINC001004605134 749676299 /nfs/dbraw/zinc/67/62/99/749676299.db2.gz MFCRRMRMXCTSQO-QGZVFWFLSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001004618563 749694991 /nfs/dbraw/zinc/69/49/91/749694991.db2.gz GAXMRJRPCNYZCN-MSOLQXFVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001004618566 749695053 /nfs/dbraw/zinc/69/50/53/749695053.db2.gz GAXMRJRPCNYZCN-QZTJIDSGSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001004622559 749700306 /nfs/dbraw/zinc/70/03/06/749700306.db2.gz NWBQVVYIZXXCLG-OAHLLOKOSA-N 1 1 344.415 0.436 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000980550616 749737406 /nfs/dbraw/zinc/73/74/06/749737406.db2.gz SARUGZZXOJSTRG-QHSBEEBCSA-N 1 1 343.431 0.709 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3[nH]cnc3C)C2)C1=O ZINC000980567656 749808496 /nfs/dbraw/zinc/80/84/96/749808496.db2.gz VCGVZRBAVRSJSL-KBPBESRZSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)CCn3cccn3)CC2)C1=O ZINC000980726143 750040515 /nfs/dbraw/zinc/04/05/15/750040515.db2.gz IICKVAZSGZIQDF-INIZCTEOSA-N 1 1 345.447 0.594 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)CCn3cccn3)CC2)C1=O ZINC000980726143 750040524 /nfs/dbraw/zinc/04/05/24/750040524.db2.gz IICKVAZSGZIQDF-INIZCTEOSA-N 1 1 345.447 0.594 20 30 ECEDMO CN(CCN(C)c1ncc(C#N)cc1F)C(=O)CC[NH+]1CCOCC1 ZINC001105433965 750081195 /nfs/dbraw/zinc/08/11/95/750081195.db2.gz FERPNQSFPDJKIA-UHFFFAOYSA-N 1 1 349.410 0.709 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3cccc(Cl)c3)C2)C1 ZINC001030182110 762008982 /nfs/dbraw/zinc/00/89/82/762008982.db2.gz HXSFHJGVMYLGKG-QGZVFWFLSA-N 1 1 347.846 0.823 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3cccc(Cl)c3)C2)C1 ZINC001030182110 762008990 /nfs/dbraw/zinc/00/89/90/762008990.db2.gz HXSFHJGVMYLGKG-QGZVFWFLSA-N 1 1 347.846 0.823 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001029965447 750116321 /nfs/dbraw/zinc/11/63/21/750116321.db2.gz ZHIQJPQYXFXOOR-CYBMUJFWSA-N 1 1 330.436 0.855 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001029965447 750116327 /nfs/dbraw/zinc/11/63/27/750116327.db2.gz ZHIQJPQYXFXOOR-CYBMUJFWSA-N 1 1 330.436 0.855 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000986600191 750177177 /nfs/dbraw/zinc/17/71/77/750177177.db2.gz YDBOLHACSZCLLJ-KFWWJZLASA-N 1 1 332.448 0.937 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC(C)C)C2)C1 ZINC001059736919 750262727 /nfs/dbraw/zinc/26/27/27/750262727.db2.gz FRHVOHRDEWVJDN-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC(C)C)C2)C1 ZINC001059736919 750262731 /nfs/dbraw/zinc/26/27/31/750262731.db2.gz FRHVOHRDEWVJDN-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001005261511 750432036 /nfs/dbraw/zinc/43/20/36/750432036.db2.gz VOADHPIMJAQWHI-UHFFFAOYSA-N 1 1 329.404 0.655 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnnc(C)c3)[C@H]2C)C1=O ZINC001088542086 750456705 /nfs/dbraw/zinc/45/67/05/750456705.db2.gz MIFVMDTWVPEEPW-KBMXLJTQSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnnc(C)c3)[C@H]2C)C1=O ZINC001088542086 750456707 /nfs/dbraw/zinc/45/67/07/750456707.db2.gz MIFVMDTWVPEEPW-KBMXLJTQSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nonc3C)[C@H]2C)nn1 ZINC000987132899 750527089 /nfs/dbraw/zinc/52/70/89/750527089.db2.gz IZUWUPUYPRMFOQ-NEPJUHHUSA-N 1 1 331.380 0.548 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+][C@H](C)c2nnc(CC)o2)nn1 ZINC001167839174 750535602 /nfs/dbraw/zinc/53/56/02/750535602.db2.gz WBTROZKNEMLYDU-LLVKDONJSA-N 1 1 333.396 0.880 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nonc3C)[C@@H]2C)nn1 ZINC000987171779 750545846 /nfs/dbraw/zinc/54/58/46/750545846.db2.gz XLPVJEWYAAFOLZ-STQMWFEESA-N 1 1 345.407 0.938 20 30 ECEDMO CC#CCN1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740715 750577801 /nfs/dbraw/zinc/57/78/01/750577801.db2.gz HARODCKLZHCMDM-RMXPPQQLSA-N 1 1 331.460 0.796 20 30 ECEDMO CC#CCN1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740715 750577803 /nfs/dbraw/zinc/57/78/03/750577803.db2.gz HARODCKLZHCMDM-RMXPPQQLSA-N 1 1 331.460 0.796 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088550209 750640182 /nfs/dbraw/zinc/64/01/82/750640182.db2.gz ROPKQZJSORHKJS-WKPIXPDZSA-N 1 1 346.362 0.885 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088550209 750640185 /nfs/dbraw/zinc/64/01/85/750640185.db2.gz ROPKQZJSORHKJS-WKPIXPDZSA-N 1 1 346.362 0.885 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000987449002 750849796 /nfs/dbraw/zinc/84/97/96/750849796.db2.gz RBJOBFNDPXEWJW-OSAQELSMSA-N 1 1 329.404 0.700 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)CCc3ccon3)CC2)C1=O ZINC000981617572 750874991 /nfs/dbraw/zinc/87/49/91/750874991.db2.gz PNYKRUPVQICYIX-MRXNPFEDSA-N 1 1 346.431 0.928 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)CCc3ccon3)CC2)C1=O ZINC000981617572 750875000 /nfs/dbraw/zinc/87/50/00/750875000.db2.gz PNYKRUPVQICYIX-MRXNPFEDSA-N 1 1 346.431 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccn(C)n2)C1 ZINC001006118075 751036764 /nfs/dbraw/zinc/03/67/64/751036764.db2.gz MVVMBMDDNBYHQA-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccn(C)n2)C1 ZINC001006118075 751036769 /nfs/dbraw/zinc/03/67/69/751036769.db2.gz MVVMBMDDNBYHQA-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001006123251 751042897 /nfs/dbraw/zinc/04/28/97/751042897.db2.gz MPBGYVGZTQBXTP-CYBMUJFWSA-N 1 1 349.884 0.696 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CCC[N@@H+](CCN1CCNC1=O)C2 ZINC000981761767 751073035 /nfs/dbraw/zinc/07/30/35/751073035.db2.gz QWTYIXRTKPNZKZ-UHFFFAOYSA-N 1 1 330.432 0.349 20 30 ECEDMO CC#CCN1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981783670 751103768 /nfs/dbraw/zinc/10/37/68/751103768.db2.gz DNUQVXBSOWHNDS-DLBZAZTESA-N 1 1 331.460 0.797 20 30 ECEDMO CC#CCN1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981783670 751103772 /nfs/dbraw/zinc/10/37/72/751103772.db2.gz DNUQVXBSOWHNDS-DLBZAZTESA-N 1 1 331.460 0.797 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC000981796015 751113263 /nfs/dbraw/zinc/11/32/63/751113263.db2.gz MCAMIZMXGASERW-HNNXBMFYSA-N 1 1 335.448 0.592 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000981797448 751121105 /nfs/dbraw/zinc/12/11/05/751121105.db2.gz FKRFJRXJTHTKAN-AWEZNQCLSA-N 1 1 331.416 0.472 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)c1 ZINC001028127834 751134401 /nfs/dbraw/zinc/13/44/01/751134401.db2.gz XVBARDUDZZXIHE-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)c1 ZINC001028127834 751134406 /nfs/dbraw/zinc/13/44/06/751134406.db2.gz XVBARDUDZZXIHE-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCC2)c1 ZINC001028126610 751139826 /nfs/dbraw/zinc/13/98/26/751139826.db2.gz NEEJHGYKBAKTLB-INIZCTEOSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCC2)c1 ZINC001028126610 751139827 /nfs/dbraw/zinc/13/98/27/751139827.db2.gz NEEJHGYKBAKTLB-INIZCTEOSA-N 1 1 326.400 0.489 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000981874655 751228918 /nfs/dbraw/zinc/22/89/18/751228918.db2.gz QNVRUQVJVRVONR-UHFFFAOYSA-N 1 1 328.416 0.685 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2oncc2C)C1 ZINC001006317545 751239660 /nfs/dbraw/zinc/23/96/60/751239660.db2.gz HNDWHOFKSXSAIS-ZFWWWQNUSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2oncc2C)C1 ZINC001006317545 751239662 /nfs/dbraw/zinc/23/96/62/751239662.db2.gz HNDWHOFKSXSAIS-ZFWWWQNUSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CCN1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981902056 751258048 /nfs/dbraw/zinc/25/80/48/751258048.db2.gz ZEWISQVUCNCDTC-WUJZJPHMSA-N 1 1 329.444 0.407 20 30 ECEDMO C#CCN1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981902056 751258054 /nfs/dbraw/zinc/25/80/54/751258054.db2.gz ZEWISQVUCNCDTC-WUJZJPHMSA-N 1 1 329.444 0.407 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001006357761 751286391 /nfs/dbraw/zinc/28/63/91/751286391.db2.gz YKPDHXVJJKFQQW-UHFFFAOYSA-N 1 1 341.843 0.566 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1=O ZINC000981953153 751327219 /nfs/dbraw/zinc/32/72/19/751327219.db2.gz HAVJQVLAJREWAN-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C2)nn1 ZINC001105363085 752327193 /nfs/dbraw/zinc/32/71/93/752327193.db2.gz QRMLIONGIVFBOQ-CYBMUJFWSA-N 1 1 349.439 0.020 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001054239493 767849681 /nfs/dbraw/zinc/84/96/81/767849681.db2.gz PFOZOYPDWCNNHM-GOSISDBHSA-N 1 1 344.415 0.437 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001007503983 752459669 /nfs/dbraw/zinc/45/96/69/752459669.db2.gz UCGUILBKKDIBQG-ZFWWWQNUSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001007503983 752459672 /nfs/dbraw/zinc/45/96/72/752459672.db2.gz UCGUILBKKDIBQG-ZFWWWQNUSA-N 1 1 344.415 0.674 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988650317 752469945 /nfs/dbraw/zinc/46/99/45/752469945.db2.gz DUDCERQIGOFCRA-AAEUAGOBSA-N 1 1 345.382 0.840 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nccc(C)n2)C1 ZINC001007520065 752476497 /nfs/dbraw/zinc/47/64/97/752476497.db2.gz XNACKNALAOZKND-SJORKVTESA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nccc(C)n2)C1 ZINC001007520065 752476504 /nfs/dbraw/zinc/47/65/04/752476504.db2.gz XNACKNALAOZKND-SJORKVTESA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001087455041 752496865 /nfs/dbraw/zinc/49/68/65/752496865.db2.gz XKFGKOMZGLGGJP-OAGGEKHMSA-N 1 1 345.374 0.841 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001087455041 752496871 /nfs/dbraw/zinc/49/68/71/752496871.db2.gz XKFGKOMZGLGGJP-OAGGEKHMSA-N 1 1 345.374 0.841 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncnc2)[C@@H]1C ZINC000988737685 752639620 /nfs/dbraw/zinc/63/96/20/752639620.db2.gz FMEPLGNLHPOIPY-KBMXLJTQSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncnc2)[C@@H]1C ZINC000988737685 752639623 /nfs/dbraw/zinc/63/96/23/752639623.db2.gz FMEPLGNLHPOIPY-KBMXLJTQSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cocn2)[C@@H]1C ZINC000988739127 752642207 /nfs/dbraw/zinc/64/22/07/752642207.db2.gz WGYKWIPNOQGGNA-IPYPFGDCSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cocn2)[C@@H]1C ZINC000988739127 752642210 /nfs/dbraw/zinc/64/22/10/752642210.db2.gz WGYKWIPNOQGGNA-IPYPFGDCSA-N 1 1 330.388 0.491 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cscn3)C2)C1=O ZINC001028441836 752659593 /nfs/dbraw/zinc/65/95/93/752659593.db2.gz OVXAWEBUVMROIW-GXTWGEPZSA-N 1 1 334.445 0.982 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000938029522 752672674 /nfs/dbraw/zinc/67/26/74/752672674.db2.gz CQZNGSBPZCWKFN-ZOBUZTSGSA-N 1 1 346.431 0.890 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087457555 752732601 /nfs/dbraw/zinc/73/26/01/752732601.db2.gz GZJQENYJGJXQOT-BZUAXINKSA-N 1 1 346.406 0.967 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087457555 752732605 /nfs/dbraw/zinc/73/26/05/752732605.db2.gz GZJQENYJGJXQOT-BZUAXINKSA-N 1 1 346.406 0.967 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)[nH]1 ZINC001028489902 752829294 /nfs/dbraw/zinc/82/92/94/752829294.db2.gz DQGRYWOBDLBZDG-CYBMUJFWSA-N 1 1 343.431 0.997 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028487352 752833472 /nfs/dbraw/zinc/83/34/72/752833472.db2.gz VTGLLFMMEHJLCY-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028492049 752837794 /nfs/dbraw/zinc/83/77/94/752837794.db2.gz WTZYMEZOLXCZKD-RYUDHWBXSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@]2(C)C1 ZINC000982554072 752883264 /nfs/dbraw/zinc/88/32/64/752883264.db2.gz UGPYRKQARXNMFL-IHETXDGRSA-N 1 1 335.448 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](CC)OC)C1 ZINC000988797684 752894937 /nfs/dbraw/zinc/89/49/37/752894937.db2.gz ZJPHGEDGLTUDLL-JYJNAYRXSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](CC)OC)C1 ZINC000988797684 752894941 /nfs/dbraw/zinc/89/49/41/752894941.db2.gz ZJPHGEDGLTUDLL-JYJNAYRXSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001007778035 752923836 /nfs/dbraw/zinc/92/38/36/752923836.db2.gz VKBPCZCZKODFJW-LLVKDONJSA-N 1 1 327.406 0.697 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001007842618 752978974 /nfs/dbraw/zinc/97/89/74/752978974.db2.gz CGDDWQBTGUPCBF-AWEZNQCLSA-N 1 1 332.404 0.107 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001007842618 752978979 /nfs/dbraw/zinc/97/89/79/752978979.db2.gz CGDDWQBTGUPCBF-AWEZNQCLSA-N 1 1 332.404 0.107 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cnnn3CC)C2)C1=O ZINC001028526059 753066747 /nfs/dbraw/zinc/06/67/47/753066747.db2.gz OSXYTHNUQDLBPS-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001028549610 753112590 /nfs/dbraw/zinc/11/25/90/753112590.db2.gz SFHYMDRHHDDZBZ-KFWWJZLASA-N 1 1 344.477 0.450 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001028549610 753112594 /nfs/dbraw/zinc/11/25/94/753112594.db2.gz SFHYMDRHHDDZBZ-KFWWJZLASA-N 1 1 344.477 0.450 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC000989011718 753141181 /nfs/dbraw/zinc/14/11/81/753141181.db2.gz IPFDYVQPKXHMQI-FPXQBCRKSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC000989011718 753141183 /nfs/dbraw/zinc/14/11/83/753141183.db2.gz IPFDYVQPKXHMQI-FPXQBCRKSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000989066228 753204266 /nfs/dbraw/zinc/20/42/66/753204266.db2.gz QLABYXHTBNYEAN-QZWWFDLISA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000989066228 753204275 /nfs/dbraw/zinc/20/42/75/753204275.db2.gz QLABYXHTBNYEAN-QZWWFDLISA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCO2)C(C)(C)C1 ZINC001008055717 753246608 /nfs/dbraw/zinc/24/66/08/753246608.db2.gz BSBBRHZXNJQCLG-HRCADAONSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCO2)C(C)(C)C1 ZINC001008055717 753246613 /nfs/dbraw/zinc/24/66/13/753246613.db2.gz BSBBRHZXNJQCLG-HRCADAONSA-N 1 1 347.459 0.616 20 30 ECEDMO C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2ccccc2C#N)C1 ZINC001051493087 762198530 /nfs/dbraw/zinc/19/85/30/762198530.db2.gz HIUUIAQUSJOQIW-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2ccccc2C#N)C1 ZINC001051493087 762198533 /nfs/dbraw/zinc/19/85/33/762198533.db2.gz HIUUIAQUSJOQIW-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC000982672950 753262396 /nfs/dbraw/zinc/26/23/96/753262396.db2.gz ZSIVXYILLUKBOY-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC000982672950 753262398 /nfs/dbraw/zinc/26/23/98/753262398.db2.gz ZSIVXYILLUKBOY-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1 ZINC001008065989 753264568 /nfs/dbraw/zinc/26/45/68/753264568.db2.gz QIWRGGYUUVTOOU-WFASDCNBSA-N 1 1 343.431 0.805 20 30 ECEDMO COCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)cs1 ZINC001051494244 762205070 /nfs/dbraw/zinc/20/50/70/762205070.db2.gz GKTWJIZAPFUWGY-DGCLKSJQSA-N 1 1 338.433 0.766 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C3CCC3)n2C)C1 ZINC001051494998 762207704 /nfs/dbraw/zinc/20/77/04/762207704.db2.gz PUJAVTMQTKWQRY-OCCSQVGLSA-N 1 1 346.435 0.559 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001051495468 762208603 /nfs/dbraw/zinc/20/86/03/762208603.db2.gz VCQNXCOLVNLTKB-DGCLKSJQSA-N 1 1 332.408 0.169 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001008143272 753371865 /nfs/dbraw/zinc/37/18/65/753371865.db2.gz BKPHMPITCBWDGT-HOTGVXAUSA-N 1 1 339.395 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001008143272 753371871 /nfs/dbraw/zinc/37/18/71/753371871.db2.gz BKPHMPITCBWDGT-HOTGVXAUSA-N 1 1 339.395 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)cc1 ZINC001008148797 753378210 /nfs/dbraw/zinc/37/82/10/753378210.db2.gz OEIWOWOSBJZWKA-QGZVFWFLSA-N 1 1 340.427 0.887 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2CC(F)F)C1 ZINC001051495923 762210806 /nfs/dbraw/zinc/21/08/06/762210806.db2.gz YXIILHAOCVGNOH-GHMZBOCLSA-N 1 1 342.350 0.020 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000982735161 753442012 /nfs/dbraw/zinc/44/20/12/753442012.db2.gz SEFCKNNXDUKVHO-KBPBESRZSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000982735161 753442017 /nfs/dbraw/zinc/44/20/17/753442017.db2.gz SEFCKNNXDUKVHO-KBPBESRZSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(C)n(C)n2)[C@@H]1C ZINC001088630885 753442656 /nfs/dbraw/zinc/44/26/56/753442656.db2.gz GCGUYSMAHAAQAG-NJAFHUGGSA-N 1 1 343.475 0.905 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(C)n(C)n2)[C@@H]1C ZINC001088630885 753442659 /nfs/dbraw/zinc/44/26/59/753442659.db2.gz GCGUYSMAHAAQAG-NJAFHUGGSA-N 1 1 343.475 0.905 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCN1C(=O)C#CC1CC1 ZINC000989201942 753458967 /nfs/dbraw/zinc/45/89/67/753458967.db2.gz KINHQMXYCXLDTM-ALKREAHSSA-N 1 1 329.444 0.991 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000982770073 753512292 /nfs/dbraw/zinc/51/22/92/753512292.db2.gz CIUKZZCSYKBHDE-HIFRSBDPSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982782603 753544606 /nfs/dbraw/zinc/54/46/06/753544606.db2.gz OGIHOZKOEYEYIQ-XWIAVFTESA-N 1 1 346.431 0.168 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001028588506 753566694 /nfs/dbraw/zinc/56/66/94/753566694.db2.gz CCMRBHYJAKTGPF-LBPRGKRZSA-N 1 1 327.388 0.749 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)nn1 ZINC001098649055 753634480 /nfs/dbraw/zinc/63/44/80/753634480.db2.gz KANVNUAHFSBEHN-JKSUJKDBSA-N 1 1 348.451 0.048 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001083368632 753704678 /nfs/dbraw/zinc/70/46/78/753704678.db2.gz SALVYSPFGQVQMG-ZACQAIPSSA-N 1 1 346.406 0.453 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001008466118 753769312 /nfs/dbraw/zinc/76/93/12/753769312.db2.gz VGRTUAKNSIRUOH-AWEZNQCLSA-N 1 1 348.447 0.865 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cnc4c(c3)NC(=O)CO4)CCC[C@@H]12 ZINC000991623097 762240844 /nfs/dbraw/zinc/24/08/44/762240844.db2.gz JOPPMLUHGLNNHL-RDTXWAMCSA-N 1 1 340.383 0.773 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ncccc2C#N)C1 ZINC001105532343 753801360 /nfs/dbraw/zinc/80/13/60/753801360.db2.gz WSAJIHVKSKYFDE-INIZCTEOSA-N 1 1 345.447 0.957 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001028601475 753880579 /nfs/dbraw/zinc/88/05/79/753880579.db2.gz PKTYSNPKWPITNK-RDJZCZTQSA-N 1 1 344.463 0.334 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001028601475 753880588 /nfs/dbraw/zinc/88/05/88/753880588.db2.gz PKTYSNPKWPITNK-RDJZCZTQSA-N 1 1 344.463 0.334 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001028608894 753910868 /nfs/dbraw/zinc/91/08/68/753910868.db2.gz FBWDSXPDCSOKOB-RYUDHWBXSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001028608894 753910871 /nfs/dbraw/zinc/91/08/71/753910871.db2.gz FBWDSXPDCSOKOB-RYUDHWBXSA-N 1 1 344.253 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccc(C#N)nn1 ZINC001105599121 753969889 /nfs/dbraw/zinc/96/98/89/753969889.db2.gz IYASYXRCPBEJEM-HNNXBMFYSA-N 1 1 326.404 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccc(C#N)nn1 ZINC001105599121 753969897 /nfs/dbraw/zinc/96/98/97/753969897.db2.gz IYASYXRCPBEJEM-HNNXBMFYSA-N 1 1 326.404 0.340 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCOCC3)C[C@@]2(C)C1 ZINC000982854141 754002111 /nfs/dbraw/zinc/00/21/11/754002111.db2.gz KNQFVRJDHFIORS-YTQUADARSA-N 1 1 333.476 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)CC2)cn1 ZINC000989511553 754062041 /nfs/dbraw/zinc/06/20/41/754062041.db2.gz ZRRATWGRNKUNLK-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCCN(C)C3=O)CC2)cn1 ZINC000989511553 754062044 /nfs/dbraw/zinc/06/20/44/754062044.db2.gz ZRRATWGRNKUNLK-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)[nH]3)C[C@@H]2C)nn1 ZINC000989543306 754091602 /nfs/dbraw/zinc/09/16/02/754091602.db2.gz KHHJXQWORWVXLU-WCQYABFASA-N 1 1 344.423 0.674 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)[nH]3)C[C@H]2C)nn1 ZINC000989543307 754091643 /nfs/dbraw/zinc/09/16/43/754091643.db2.gz KHHJXQWORWVXLU-YPMHNXCESA-N 1 1 344.423 0.674 20 30 ECEDMO O=C(C#CC1CC1)N1CCC2(CO[C@@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000982898300 754126434 /nfs/dbraw/zinc/12/64/34/754126434.db2.gz MHALZDOJPIRQPX-MRXNPFEDSA-N 1 1 344.415 0.970 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N ZINC001105866758 762272143 /nfs/dbraw/zinc/27/21/43/762272143.db2.gz IUXVNYGMVJYMPW-CQSZACIVSA-N 1 1 328.376 0.356 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3[nH]cnc3CC)CC2)C1=O ZINC000989577734 754150181 /nfs/dbraw/zinc/15/01/81/754150181.db2.gz HOHHJDXYJRJOMN-HNNXBMFYSA-N 1 1 345.447 0.907 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3[nH]cnc3CC)CC2)C1=O ZINC000989577734 754150183 /nfs/dbraw/zinc/15/01/83/754150183.db2.gz HOHHJDXYJRJOMN-HNNXBMFYSA-N 1 1 345.447 0.907 20 30 ECEDMO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)nc1 ZINC001051523674 762274420 /nfs/dbraw/zinc/27/44/20/762274420.db2.gz ISZHRPDYYJUPCM-AWEZNQCLSA-N 1 1 340.387 0.616 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2nc3nc(C)cc(C)n3n2)CC1 ZINC000989603967 754178494 /nfs/dbraw/zinc/17/84/94/754178494.db2.gz MXTQYJUEIRNFNF-UHFFFAOYSA-N 1 1 326.404 0.912 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2nc3nc(C)cc(C)n3n2)CC1 ZINC000989603967 754178499 /nfs/dbraw/zinc/17/84/99/754178499.db2.gz MXTQYJUEIRNFNF-UHFFFAOYSA-N 1 1 326.404 0.912 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)c1nncn1C ZINC001051524590 762275978 /nfs/dbraw/zinc/27/59/78/762275978.db2.gz VZTHCWRGHYMSNU-WCQYABFASA-N 1 1 343.391 0.207 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccsn2)C1 ZINC000982919881 754196489 /nfs/dbraw/zinc/19/64/89/754196489.db2.gz ASNSKXJGKMSIDQ-HIFRSBDPSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccsn2)C1 ZINC000982919881 754196493 /nfs/dbraw/zinc/19/64/93/754196493.db2.gz ASNSKXJGKMSIDQ-HIFRSBDPSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC000982924172 754209082 /nfs/dbraw/zinc/20/90/82/754209082.db2.gz VSDRHSJEFLAAOU-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC000982924172 754209088 /nfs/dbraw/zinc/20/90/88/754209088.db2.gz VSDRHSJEFLAAOU-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cn[nH]n3)C2)cc1 ZINC001028650033 754232804 /nfs/dbraw/zinc/23/28/04/754232804.db2.gz QFEJKLMHPSIRNA-CQSZACIVSA-N 1 1 340.387 0.959 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cnn[nH]3)C2)cc1 ZINC001028650033 754232810 /nfs/dbraw/zinc/23/28/10/754232810.db2.gz QFEJKLMHPSIRNA-CQSZACIVSA-N 1 1 340.387 0.959 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cnn[nH]3)C2)cc1 ZINC001028650033 754232815 /nfs/dbraw/zinc/23/28/15/754232815.db2.gz QFEJKLMHPSIRNA-CQSZACIVSA-N 1 1 340.387 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001008871272 754238350 /nfs/dbraw/zinc/23/83/50/754238350.db2.gz RTLFLWIQBLLIQD-CYBMUJFWSA-N 1 1 327.388 0.549 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3ccc[nH]3)CC2)C1=O ZINC000989709648 754342337 /nfs/dbraw/zinc/34/23/37/754342337.db2.gz RJMLHJIMRNLYEQ-MRXNPFEDSA-N 1 1 330.432 0.878 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3ccc[nH]3)CC2)C1=O ZINC000989709648 754342341 /nfs/dbraw/zinc/34/23/41/754342341.db2.gz RJMLHJIMRNLYEQ-MRXNPFEDSA-N 1 1 330.432 0.878 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001009012355 754425752 /nfs/dbraw/zinc/42/57/52/754425752.db2.gz DSXUKNTXPJOASB-HUUCEWRRSA-N 1 1 331.420 0.532 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001009012355 754425755 /nfs/dbraw/zinc/42/57/55/754425755.db2.gz DSXUKNTXPJOASB-HUUCEWRRSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)[C@@H]3C[C@@H](C(=O)OC)CCN3C2=O)C1 ZINC000925325450 754508633 /nfs/dbraw/zinc/50/86/33/754508633.db2.gz LMBISSFBSZBBMM-IHRRRGAJSA-N 1 1 333.388 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)[C@@H]3C[C@@H](C(=O)OC)CCN3C2=O)C1 ZINC000925325450 754508639 /nfs/dbraw/zinc/50/86/39/754508639.db2.gz LMBISSFBSZBBMM-IHRRRGAJSA-N 1 1 333.388 0.300 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001009119434 754551312 /nfs/dbraw/zinc/55/13/12/754551312.db2.gz ANBYUZIPDKFIFG-CQSZACIVSA-N 1 1 331.420 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCO3)C[C@H]21 ZINC001009188163 754630075 /nfs/dbraw/zinc/63/00/75/754630075.db2.gz FVIOMSCYIKKCTO-KSWRQPAISA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCO3)C[C@H]21 ZINC001009188163 754630079 /nfs/dbraw/zinc/63/00/79/754630079.db2.gz FVIOMSCYIKKCTO-KSWRQPAISA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CSC)C[C@H]21 ZINC001009189887 754632400 /nfs/dbraw/zinc/63/24/00/754632400.db2.gz KRDLISJDNGEQDY-XQLPTFJDSA-N 1 1 335.473 0.268 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CSC)C[C@H]21 ZINC001009189887 754632403 /nfs/dbraw/zinc/63/24/03/754632403.db2.gz KRDLISJDNGEQDY-XQLPTFJDSA-N 1 1 335.473 0.268 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001105873141 762319898 /nfs/dbraw/zinc/31/98/98/762319898.db2.gz LDOBRJIDCDOSHM-UONOGXRCSA-N 1 1 332.408 0.112 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001060006683 754679202 /nfs/dbraw/zinc/67/92/02/754679202.db2.gz FJDORKGYYBLMLE-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001060006683 754679206 /nfs/dbraw/zinc/67/92/06/754679206.db2.gz FJDORKGYYBLMLE-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001009275695 754733174 /nfs/dbraw/zinc/73/31/74/754733174.db2.gz NEUYVNPWQFGIHZ-HOTGVXAUSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001009275695 754733176 /nfs/dbraw/zinc/73/31/76/754733176.db2.gz NEUYVNPWQFGIHZ-HOTGVXAUSA-N 1 1 326.400 0.536 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H]2CCNC2=O)CC3)c1 ZINC000990159877 754785646 /nfs/dbraw/zinc/78/56/46/754785646.db2.gz GBSWSHHWHWZNNS-VBQJREDUSA-N 1 1 327.388 0.502 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3c[nH]nc3C)C2)C1=O ZINC001028725014 754860515 /nfs/dbraw/zinc/86/05/15/754860515.db2.gz AXORFUOOVIVRCT-ZFWWWQNUSA-N 1 1 331.420 0.557 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)cc1 ZINC001028730492 754887500 /nfs/dbraw/zinc/88/75/00/754887500.db2.gz JXMIKDUZPRYGPV-OAHLLOKOSA-N 1 1 334.441 0.764 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CCS(C)(=O)=O)C2)cc1 ZINC001028730492 754887507 /nfs/dbraw/zinc/88/75/07/754887507.db2.gz JXMIKDUZPRYGPV-OAHLLOKOSA-N 1 1 334.441 0.764 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990289286 754927128 /nfs/dbraw/zinc/92/71/28/754927128.db2.gz OZHJISLUDIVCFX-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990289212 754927363 /nfs/dbraw/zinc/92/73/63/754927363.db2.gz OJBJOWRWMCUQKK-YLVFBTJISA-N 1 1 329.404 0.748 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001028740817 754945853 /nfs/dbraw/zinc/94/58/53/754945853.db2.gz SPGAOSSXZZGUNY-CJNGLKHVSA-N 1 1 341.415 0.520 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001009526562 754978780 /nfs/dbraw/zinc/97/87/80/754978780.db2.gz ZXGIKYLDSPNIPV-JKSUJKDBSA-N 1 1 345.447 0.559 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000983302663 755104877 /nfs/dbraw/zinc/10/48/77/755104877.db2.gz LDWIRXVZRNNSQJ-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CNc3ccncc3C#N)C2)C1 ZINC001060034498 755160512 /nfs/dbraw/zinc/16/05/12/755160512.db2.gz JYTPGNSVEMBNDC-LSDHHAIUSA-N 1 1 327.432 0.977 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)c[nH]1 ZINC001075709196 755192843 /nfs/dbraw/zinc/19/28/43/755192843.db2.gz APHXGUVJLRHXJG-NILFDRSVSA-N 1 1 327.388 0.311 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccnnc3)C2)C1=O ZINC001028826436 755231107 /nfs/dbraw/zinc/23/11/07/755231107.db2.gz FKYQJWVLCKGCHT-ZFWWWQNUSA-N 1 1 329.404 0.315 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001028840742 755271301 /nfs/dbraw/zinc/27/13/01/755271301.db2.gz KWUGRSMMBKQMSA-CYBMUJFWSA-N 1 1 334.420 0.102 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC)C2)cc1 ZINC001028849751 755303266 /nfs/dbraw/zinc/30/32/66/755303266.db2.gz JVFMABTWGZVGMO-AWEZNQCLSA-N 1 1 329.400 0.496 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001060040605 755320897 /nfs/dbraw/zinc/32/08/97/755320897.db2.gz ATNZYIKQVDNQEN-HUUCEWRRSA-N 1 1 342.447 0.762 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001028862195 755330416 /nfs/dbraw/zinc/33/04/16/755330416.db2.gz NQFCIKKLDOKELJ-RYUDHWBXSA-N 1 1 335.857 0.211 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001028862195 755330418 /nfs/dbraw/zinc/33/04/18/755330418.db2.gz NQFCIKKLDOKELJ-RYUDHWBXSA-N 1 1 335.857 0.211 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001028869192 755347437 /nfs/dbraw/zinc/34/74/37/755347437.db2.gz PYTBOSXAUUJRAQ-CYBMUJFWSA-N 1 1 329.404 0.959 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001087466375 755390466 /nfs/dbraw/zinc/39/04/66/755390466.db2.gz PPKFLWXLAKSGBP-IXDOHACOSA-N 1 1 343.402 0.869 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001087466375 755390470 /nfs/dbraw/zinc/39/04/70/755390470.db2.gz PPKFLWXLAKSGBP-IXDOHACOSA-N 1 1 343.402 0.869 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cn(CCOC)nn3)CCC[C@H]12 ZINC000990592887 755460618 /nfs/dbraw/zinc/46/06/18/755460618.db2.gz YQQIRHFVSVHERQ-RDJZCZTQSA-N 1 1 331.420 0.675 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC001088750921 755486634 /nfs/dbraw/zinc/48/66/34/755486634.db2.gz PYSZVXUARDIHKV-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@@H](O)C1 ZINC001083477152 755605149 /nfs/dbraw/zinc/60/51/49/755605149.db2.gz CQZSJJSLGCORES-PMPSAXMXSA-N 1 1 333.436 0.527 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001083483033 755640667 /nfs/dbraw/zinc/64/06/67/755640667.db2.gz FRFHCSJJSAAPIE-ILXRZTDVSA-N 1 1 337.464 0.761 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC001088783456 755655183 /nfs/dbraw/zinc/65/51/83/755655183.db2.gz WENCHMSEZDVHFK-YPMHNXCESA-N 1 1 344.423 0.853 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088795811 755716221 /nfs/dbraw/zinc/71/62/21/755716221.db2.gz NQLWCTKXWJVUER-KCXAZCMYSA-N 1 1 341.415 0.661 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2coc(Br)c2)[C@@H](O)C1 ZINC001083503391 755758871 /nfs/dbraw/zinc/75/88/71/755758871.db2.gz QDGYCXQPTSDMCB-MNOVXSKESA-N 1 1 327.178 0.840 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CNC(C)=O)CC1 ZINC001105673238 755793256 /nfs/dbraw/zinc/79/32/56/755793256.db2.gz IHHCGDYLQOAWHU-CALCHBBNSA-N 1 1 334.464 0.448 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cccnc3)c2)[C@@H](O)C1 ZINC001083521696 755882409 /nfs/dbraw/zinc/88/24/09/755882409.db2.gz DGCNXTMUHPOOFR-CVEARBPZSA-N 1 1 325.372 0.066 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088828884 755960960 /nfs/dbraw/zinc/96/09/60/755960960.db2.gz XNIHMACTOVNFML-UHOFOFEASA-N 1 1 344.390 0.438 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088828884 755960964 /nfs/dbraw/zinc/96/09/64/755960964.db2.gz XNIHMACTOVNFML-UHOFOFEASA-N 1 1 344.390 0.438 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC001105679713 755963494 /nfs/dbraw/zinc/96/34/94/755963494.db2.gz BEJGUFOQKXPLFL-CALCHBBNSA-N 1 1 346.475 0.238 20 30 ECEDMO C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001051598322 762432154 /nfs/dbraw/zinc/43/21/54/762432154.db2.gz MQNAUQCWFHHEDH-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001010399187 756082926 /nfs/dbraw/zinc/08/29/26/756082926.db2.gz CTYCWFOGHWUIGT-KBPBESRZSA-N 1 1 331.420 0.618 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001010399187 756082931 /nfs/dbraw/zinc/08/29/31/756082931.db2.gz CTYCWFOGHWUIGT-KBPBESRZSA-N 1 1 331.420 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cc(C)[nH]n1 ZINC001076121497 756104781 /nfs/dbraw/zinc/10/47/81/756104781.db2.gz JCFGBTHVKTYLNH-BBRMVZONSA-N 1 1 345.447 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cc(C)[nH]n1 ZINC001076121497 756104787 /nfs/dbraw/zinc/10/47/87/756104787.db2.gz JCFGBTHVKTYLNH-BBRMVZONSA-N 1 1 345.447 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cc(C)n[nH]1 ZINC001076121497 756104789 /nfs/dbraw/zinc/10/47/89/756104789.db2.gz JCFGBTHVKTYLNH-BBRMVZONSA-N 1 1 345.447 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cc(C)n[nH]1 ZINC001076121497 756104795 /nfs/dbraw/zinc/10/47/95/756104795.db2.gz JCFGBTHVKTYLNH-BBRMVZONSA-N 1 1 345.447 0.369 20 30 ECEDMO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010476620 756167037 /nfs/dbraw/zinc/16/70/37/756167037.db2.gz HZMKJYANYYTXQB-UKRRQHHQSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010476620 756167040 /nfs/dbraw/zinc/16/70/40/756167040.db2.gz HZMKJYANYYTXQB-UKRRQHHQSA-N 1 1 329.404 0.700 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cc1F ZINC001010497948 756185193 /nfs/dbraw/zinc/18/51/93/756185193.db2.gz QGHRCVTWLCRLRT-DZGCQCFKSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cc1F ZINC001010497948 756185199 /nfs/dbraw/zinc/18/51/99/756185199.db2.gz QGHRCVTWLCRLRT-DZGCQCFKSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CCCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001076212674 756205093 /nfs/dbraw/zinc/20/50/93/756205093.db2.gz QBZMJRZYAOGPCN-ARFHVFGLSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CCCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001076212674 756205099 /nfs/dbraw/zinc/20/50/99/756205099.db2.gz QBZMJRZYAOGPCN-ARFHVFGLSA-N 1 1 337.464 0.910 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)c1 ZINC001076223353 756234587 /nfs/dbraw/zinc/23/45/87/756234587.db2.gz UTWPUUSOVMMORA-CWRNSKLLSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](CC)C(N)=O)C[C@H]32)c1 ZINC001076223353 756234593 /nfs/dbraw/zinc/23/45/93/756234593.db2.gz UTWPUUSOVMMORA-CWRNSKLLSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)c1 ZINC001076223216 756234709 /nfs/dbraw/zinc/23/47/09/756234709.db2.gz OCOCELDPNKAVOL-UKPHBRMFSA-N 1 1 340.427 0.686 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)c1 ZINC001076223216 756234710 /nfs/dbraw/zinc/23/47/10/756234710.db2.gz OCOCELDPNKAVOL-UKPHBRMFSA-N 1 1 340.427 0.686 20 30 ECEDMO C#CCOc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000991650249 762458829 /nfs/dbraw/zinc/45/88/29/762458829.db2.gz IVIMCLRVIUNSFA-KRWDZBQOSA-N 1 1 341.411 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@](C)(O)C=C ZINC001076301529 756332583 /nfs/dbraw/zinc/33/25/83/756332583.db2.gz AWEAMVYTJGOSKE-MPGHIAIKSA-N 1 1 335.448 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@](C)(O)C=C ZINC001076301529 756332588 /nfs/dbraw/zinc/33/25/88/756332588.db2.gz AWEAMVYTJGOSKE-MPGHIAIKSA-N 1 1 335.448 0.422 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001010650712 756351556 /nfs/dbraw/zinc/35/15/56/756351556.db2.gz BDGINEFGLIHCCJ-MRXNPFEDSA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001010650712 756351560 /nfs/dbraw/zinc/35/15/60/756351560.db2.gz BDGINEFGLIHCCJ-MRXNPFEDSA-N 1 1 345.443 0.181 20 30 ECEDMO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010659303 756361223 /nfs/dbraw/zinc/36/12/23/756361223.db2.gz VLYITBSZIRIZQZ-UKRRQHHQSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010659303 756361227 /nfs/dbraw/zinc/36/12/27/756361227.db2.gz VLYITBSZIRIZQZ-UKRRQHHQSA-N 1 1 329.404 0.700 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3conc3C)[C@H]2C)C1=O ZINC001088833295 756411123 /nfs/dbraw/zinc/41/11/23/756411123.db2.gz LBMWUOHUPIHVPO-VHDGCEQUSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3conc3C)[C@H]2C)C1=O ZINC001088833295 756411128 /nfs/dbraw/zinc/41/11/28/756411128.db2.gz LBMWUOHUPIHVPO-VHDGCEQUSA-N 1 1 332.404 0.963 20 30 ECEDMO CC(C)N1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010698707 756413994 /nfs/dbraw/zinc/41/39/94/756413994.db2.gz QNJBJKQRRHLEKB-ZFWWWQNUSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010698707 756413998 /nfs/dbraw/zinc/41/39/98/756413998.db2.gz QNJBJKQRRHLEKB-ZFWWWQNUSA-N 1 1 329.404 0.700 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)[nH]1 ZINC000990867642 756436269 /nfs/dbraw/zinc/43/62/69/756436269.db2.gz FRQOXNYUJHKWHY-GDBMZVCRSA-N 1 1 341.415 0.844 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 ZINC001076429351 756498587 /nfs/dbraw/zinc/49/85/87/756498587.db2.gz KVWRAVCAFZYBNN-UONOGXRCSA-N 1 1 348.447 0.816 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)cn1 ZINC001076476840 756564070 /nfs/dbraw/zinc/56/40/70/756564070.db2.gz FFMMCQVLTKZTIZ-CWRNSKLLSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](CC)C(N)=O)C[C@H]32)cn1 ZINC001076476840 756564073 /nfs/dbraw/zinc/56/40/73/756564073.db2.gz FFMMCQVLTKZTIZ-CWRNSKLLSA-N 1 1 326.400 0.473 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)C1CC(Nc2cc(C)[nH+]c(C)n2)C1 ZINC001126930968 756614613 /nfs/dbraw/zinc/61/46/13/756614613.db2.gz LCAHIWLXUUUHLW-UHFFFAOYSA-N 1 1 329.404 0.634 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)[nH]1 ZINC000990889112 756664512 /nfs/dbraw/zinc/66/45/12/756664512.db2.gz YRVLTBIIOMWUST-WFASDCNBSA-N 1 1 341.415 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001076587131 756691007 /nfs/dbraw/zinc/69/10/07/756691007.db2.gz VBMFWUAYFQMXAJ-DZGCQCFKSA-N 1 1 328.416 0.639 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001076599956 756715221 /nfs/dbraw/zinc/71/52/21/756715221.db2.gz MVBSSUYCOBICGS-CFVMTHIKSA-N 1 1 334.420 0.794 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)[C@@H]2C1 ZINC001076601978 756719864 /nfs/dbraw/zinc/71/98/64/756719864.db2.gz QVIVDPZZBARUEW-GOEBONIOSA-N 1 1 329.400 0.883 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011020429 756774529 /nfs/dbraw/zinc/77/45/29/756774529.db2.gz VHORCDGEBOGCJU-UHFFFAOYSA-N 1 1 326.360 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(C)ccn2C)CC1 ZINC001011050033 756830485 /nfs/dbraw/zinc/83/04/85/756830485.db2.gz QCJLBTBDJIAAEG-INIZCTEOSA-N 1 1 342.443 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(C)ccn2C)CC1 ZINC001011050033 756830492 /nfs/dbraw/zinc/83/04/92/756830492.db2.gz QCJLBTBDJIAAEG-INIZCTEOSA-N 1 1 342.443 0.716 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001076747450 756955746 /nfs/dbraw/zinc/95/57/46/756955746.db2.gz ZWAYTDBCWSKDQF-HZMVEIRTSA-N 1 1 348.491 0.435 20 30 ECEDMO C[C@H](c1nncn1C)[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048779204 756965629 /nfs/dbraw/zinc/96/56/29/756965629.db2.gz QEAQKHZQNYHIPE-BNOWGMLFSA-N 1 1 339.403 0.780 20 30 ECEDMO C[C@H](c1nncn1C)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048779204 756965633 /nfs/dbraw/zinc/96/56/33/756965633.db2.gz QEAQKHZQNYHIPE-BNOWGMLFSA-N 1 1 339.403 0.780 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001048813311 757076834 /nfs/dbraw/zinc/07/68/34/757076834.db2.gz MDEGTVNXDSPBSD-OWCLPIDISA-N 1 1 325.416 0.569 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]2C1 ZINC001048822031 757109548 /nfs/dbraw/zinc/10/95/48/757109548.db2.gz NWQALSRXHKWMLC-OKILXGFUSA-N 1 1 331.416 0.185 20 30 ECEDMO CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048827971 757123706 /nfs/dbraw/zinc/12/37/06/757123706.db2.gz AWNPZGIKJFNILY-ULQDDVLXSA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc([C@H]4CCCN4C)[nH]n3)C[C@H]2C1 ZINC001048831375 757134580 /nfs/dbraw/zinc/13/45/80/757134580.db2.gz QDSVZIVHFRFXNQ-JKIFEVAISA-N 1 1 327.432 0.813 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc([C@H]4CCCN4C)n[nH]3)C[C@H]2C1 ZINC001048831375 757134586 /nfs/dbraw/zinc/13/45/86/757134586.db2.gz QDSVZIVHFRFXNQ-JKIFEVAISA-N 1 1 327.432 0.813 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc([C@H]4CCCN4C)n[nH]3)C[C@H]2C1 ZINC001048831375 757134591 /nfs/dbraw/zinc/13/45/91/757134591.db2.gz QDSVZIVHFRFXNQ-JKIFEVAISA-N 1 1 327.432 0.813 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@H]2C1 ZINC001048839466 757146139 /nfs/dbraw/zinc/14/61/39/757146139.db2.gz PUIVTXSDKPGKDQ-OKILXGFUSA-N 1 1 330.436 0.384 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001011201297 757179184 /nfs/dbraw/zinc/17/91/84/757179184.db2.gz LKCVDLAGRRQWEF-RDJZCZTQSA-N 1 1 346.431 0.844 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)cc1 ZINC001076804160 757197268 /nfs/dbraw/zinc/19/72/68/757197268.db2.gz APPQQIAACYOZPP-GDBMZVCRSA-N 1 1 342.355 0.552 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)cc1 ZINC001076804160 757197272 /nfs/dbraw/zinc/19/72/72/757197272.db2.gz APPQQIAACYOZPP-GDBMZVCRSA-N 1 1 342.355 0.552 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048863910 757220053 /nfs/dbraw/zinc/22/00/53/757220053.db2.gz OYTPNWSNEAFCRM-IYBDPMFKSA-N 1 1 340.431 0.970 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnnn3C)C2)nn1 ZINC001098666956 757222384 /nfs/dbraw/zinc/22/23/84/757222384.db2.gz MOGYMIGFBVWBEQ-ZDUSSCGKSA-N 1 1 330.396 0.160 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1N(C(=O)[C@H](C)C#N)CC2 ZINC001014344142 762530498 /nfs/dbraw/zinc/53/04/98/762530498.db2.gz UDKMGJIAPLBVMU-MRRJBJDNSA-N 1 1 329.404 0.991 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001030301390 762531032 /nfs/dbraw/zinc/53/10/32/762531032.db2.gz CTHVTHZLTBTMAQ-JKSUJKDBSA-N 1 1 334.464 0.447 20 30 ECEDMO CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cn1 ZINC001076818125 757244119 /nfs/dbraw/zinc/24/41/19/757244119.db2.gz TUGYYBKKDIBYTI-IAGOWNOFSA-N 1 1 339.399 0.750 20 30 ECEDMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cn1 ZINC001076818125 757244127 /nfs/dbraw/zinc/24/41/27/757244127.db2.gz TUGYYBKKDIBYTI-IAGOWNOFSA-N 1 1 339.399 0.750 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@H]2C1 ZINC001048892290 757315704 /nfs/dbraw/zinc/31/57/04/757315704.db2.gz WMIZDHGUHIKDMF-GASCZTMLSA-N 1 1 338.473 0.778 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3cnc4ccc(OC)nn43)C[C@H]2C1 ZINC001048899138 757339036 /nfs/dbraw/zinc/33/90/36/757339036.db2.gz PMLVKRDETMVJNH-BETUJISGSA-N 1 1 327.388 0.928 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2c2cnc(C#N)cn2)C1 ZINC001060145563 757342104 /nfs/dbraw/zinc/34/21/04/757342104.db2.gz UKKXBDLUNCDWKM-UKRRQHHQSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@H]12 ZINC000991001914 757366242 /nfs/dbraw/zinc/36/62/42/757366242.db2.gz XZIVVFCODPJGHS-GOEBONIOSA-N 1 1 339.461 0.158 20 30 ECEDMO O=C(c1cn[nH]n1)N1C[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001048913426 757387336 /nfs/dbraw/zinc/38/73/36/757387336.db2.gz BWJBOOWAONDECO-GASCZTMLSA-N 1 1 339.374 0.999 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc4c(n3)OCCO4)C[C@H]2C1 ZINC001048919220 757410248 /nfs/dbraw/zinc/41/02/48/757410248.db2.gz VLVFPGWEOZINMQ-OKILXGFUSA-N 1 1 327.384 0.880 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001048923673 757425421 /nfs/dbraw/zinc/42/54/21/757425421.db2.gz VDYPHEXDQIICSX-WCVJEAGWSA-N 1 1 335.448 0.016 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021440104 757447949 /nfs/dbraw/zinc/44/79/49/757447949.db2.gz BFAPAIXXFOIFMY-GOOCMWNKSA-N 1 1 329.400 0.811 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)NC)cn1 ZINC001021440412 757448060 /nfs/dbraw/zinc/44/80/60/757448060.db2.gz KDSLCFRBKKUUAP-FCLXEUQJSA-N 1 1 340.427 0.923 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)c3cnc4c(c3)nnn4C)C[C@H]2C1 ZINC001048943084 757478217 /nfs/dbraw/zinc/47/82/17/757478217.db2.gz WSNFIQATOIQXQW-OKILXGFUSA-N 1 1 326.404 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(C)cnn2C)CC1 ZINC001011314844 757491560 /nfs/dbraw/zinc/49/15/60/757491560.db2.gz OAVPCUXTUPJKLH-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(C)cnn2C)CC1 ZINC001011314844 757491565 /nfs/dbraw/zinc/49/15/65/757491565.db2.gz OAVPCUXTUPJKLH-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076897384 757513782 /nfs/dbraw/zinc/51/37/82/757513782.db2.gz PJJXQQKZIIZORC-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076897384 757513793 /nfs/dbraw/zinc/51/37/93/757513793.db2.gz PJJXQQKZIIZORC-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@H]2C1 ZINC001048959050 757517057 /nfs/dbraw/zinc/51/70/57/757517057.db2.gz BRJKDSMMUPHMOY-OKILXGFUSA-N 1 1 339.399 0.358 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)[nH]1 ZINC001076898590 757518197 /nfs/dbraw/zinc/51/81/97/757518197.db2.gz QMJDQNGCNVJYLG-APHBMKBZSA-N 1 1 332.404 0.478 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@H]2C1 ZINC001048959125 757518194 /nfs/dbraw/zinc/51/81/94/757518194.db2.gz CXQOXIWXOHAVLR-VVLHAWIVSA-N 1 1 333.432 0.036 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)[nH]3)C(C)(C)C2)nn1 ZINC000996389694 757519294 /nfs/dbraw/zinc/51/92/94/757519294.db2.gz QAVWXBNKYWNHSJ-ZDUSSCGKSA-N 1 1 344.423 0.531 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001021597968 757667448 /nfs/dbraw/zinc/66/74/48/757667448.db2.gz SMIWWLGXDKGRNX-ZFWWWQNUSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnc3n2CCOC3)C1 ZINC001021608950 757682725 /nfs/dbraw/zinc/68/27/25/757682725.db2.gz UKZJRQQUIHDUDJ-LSDHHAIUSA-N 1 1 328.416 0.973 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ncccc2C#N)C1 ZINC001107210508 757692691 /nfs/dbraw/zinc/69/26/91/757692691.db2.gz LEJJAQPRJFTLJZ-JZIMQPMSSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ncccc2C#N)C1 ZINC001107210508 757692695 /nfs/dbraw/zinc/69/26/95/757692695.db2.gz LEJJAQPRJFTLJZ-JZIMQPMSSA-N 1 1 329.404 0.758 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCCNC2=O)C1 ZINC001021623742 757701246 /nfs/dbraw/zinc/70/12/46/757701246.db2.gz LFZNTQNTYRZEKC-HOTGVXAUSA-N 1 1 332.448 0.738 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)s1 ZINC001049020184 757714832 /nfs/dbraw/zinc/71/48/32/757714832.db2.gz ZOLDGSWVLIACNW-UHIISALHSA-N 1 1 345.428 0.191 20 30 ECEDMO C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001076952914 757720745 /nfs/dbraw/zinc/72/07/45/757720745.db2.gz FKWUTEFXILAKFC-GJZGRUSLSA-N 1 1 335.452 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](OC)C(C)C)C[C@H]3C2)C1=O ZINC001049028969 757737729 /nfs/dbraw/zinc/73/77/29/757737729.db2.gz PEXGXQCNHAGNDS-VVLHAWIVSA-N 1 1 349.475 0.835 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021660838 757750911 /nfs/dbraw/zinc/75/09/11/757750911.db2.gz GYLRUBXGCDLTIH-HZPDHXFCSA-N 1 1 326.400 0.856 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3C[N@@H+](CCCO)CC[C@@H]32)nn1 ZINC001021685989 757781250 /nfs/dbraw/zinc/78/12/50/757781250.db2.gz WCPCDLCUFQTRBW-HOCLYGCPSA-N 1 1 333.436 0.773 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)CC[C@H]32)nn1 ZINC001021688702 757783659 /nfs/dbraw/zinc/78/36/59/757783659.db2.gz QDAREIIKAANZTI-DZGCQCFKSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)CC[C@H]32)nn1 ZINC001021688702 757783663 /nfs/dbraw/zinc/78/36/63/757783663.db2.gz QDAREIIKAANZTI-DZGCQCFKSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021690959 757789313 /nfs/dbraw/zinc/78/93/13/757789313.db2.gz MCLREPWEJQPURI-HIFRSBDPSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccncc3C)C2)C1=O ZINC001014383270 762575914 /nfs/dbraw/zinc/57/59/14/762575914.db2.gz ZAPBXXCAQAQMLG-ZBFHGGJFSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccncc3C)C2)C1=O ZINC001014383270 762575917 /nfs/dbraw/zinc/57/59/17/762575917.db2.gz ZAPBXXCAQAQMLG-ZBFHGGJFSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021724092 757864023 /nfs/dbraw/zinc/86/40/23/757864023.db2.gz JAOCSFZYMSCNRG-JKSUJKDBSA-N 1 1 347.463 0.779 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CCC2=O)C1 ZINC001021730511 757873880 /nfs/dbraw/zinc/87/38/80/757873880.db2.gz NXRPDWCGUWMJMN-GJZGRUSLSA-N 1 1 331.416 0.472 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3nonc3C)nn2)C1 ZINC001107226521 757883507 /nfs/dbraw/zinc/88/35/07/757883507.db2.gz VIVBITADRZLWFA-UHFFFAOYSA-N 1 1 331.380 0.261 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001076994617 757890229 /nfs/dbraw/zinc/89/02/29/757890229.db2.gz MPEZTNZPGKILKZ-FVQBIDKESA-N 1 1 332.375 0.561 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001076994617 757890238 /nfs/dbraw/zinc/89/02/38/757890238.db2.gz MPEZTNZPGKILKZ-FVQBIDKESA-N 1 1 332.375 0.561 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001077004039 757908173 /nfs/dbraw/zinc/90/81/73/757908173.db2.gz KKCFZIYHRKOXSR-NVXWUHKLSA-N 1 1 328.416 0.853 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001077003914 757908254 /nfs/dbraw/zinc/90/82/54/757908254.db2.gz FCZCCPWSAOWZFQ-NVXWUHKLSA-N 1 1 326.400 0.300 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001077003914 757908259 /nfs/dbraw/zinc/90/82/59/757908259.db2.gz FCZCCPWSAOWZFQ-NVXWUHKLSA-N 1 1 326.400 0.300 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001077015396 757928260 /nfs/dbraw/zinc/92/82/60/757928260.db2.gz SIRIBLPEHZOFBL-VQHPVUNQSA-N 1 1 329.400 0.344 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001077022248 757961317 /nfs/dbraw/zinc/96/13/17/757961317.db2.gz RCAMQWJZEWWEHM-ZDUSSCGKSA-N 1 1 348.451 0.573 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)C1 ZINC000996539569 757962828 /nfs/dbraw/zinc/96/28/28/757962828.db2.gz SAQOAGOVPYVVLU-MWNCTCPHSA-N 1 1 341.415 0.700 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]2C1 ZINC001049104473 757968014 /nfs/dbraw/zinc/96/80/14/757968014.db2.gz OEUFWZVOEWCGLA-NRKLIOEPSA-N 1 1 349.475 0.882 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCCCC(N)=O)nn2)C1 ZINC001107229433 757991474 /nfs/dbraw/zinc/99/14/74/757991474.db2.gz JEKSFTCWTOJENH-UHFFFAOYSA-N 1 1 334.424 0.373 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@H]2C1 ZINC001049113587 757997825 /nfs/dbraw/zinc/99/78/25/757997825.db2.gz PLMPXSJRACPKOE-OKILXGFUSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001077034310 758010684 /nfs/dbraw/zinc/01/06/84/758010684.db2.gz RUQCPDNFYUFQCX-BRWVUGGUSA-N 1 1 347.463 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC001021889633 758019275 /nfs/dbraw/zinc/01/92/75/758019275.db2.gz VZDVIXXEAKHLJM-MWDXBVQZSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC001021889633 758019283 /nfs/dbraw/zinc/01/92/83/758019283.db2.gz VZDVIXXEAKHLJM-MWDXBVQZSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001077058260 758053729 /nfs/dbraw/zinc/05/37/29/758053729.db2.gz BPESNFJKMSGZGO-GHMZBOCLSA-N 1 1 330.310 0.237 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001077058260 758053738 /nfs/dbraw/zinc/05/37/38/758053738.db2.gz BPESNFJKMSGZGO-GHMZBOCLSA-N 1 1 330.310 0.237 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]2C1 ZINC001049134551 758082777 /nfs/dbraw/zinc/08/27/77/758082777.db2.gz MNGMHQARZIYAHU-IYBDPMFKSA-N 1 1 330.432 0.826 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCO3)CCC[C@@H]12 ZINC001107266722 758110016 /nfs/dbraw/zinc/11/00/16/758110016.db2.gz LNLNMHHAMHNRSY-JJRVBVJISA-N 1 1 334.420 0.166 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)n[nH]2)C1 ZINC001077081918 758136361 /nfs/dbraw/zinc/13/63/61/758136361.db2.gz QSBMNWIKWVUVEC-NXEZZACHSA-N 1 1 329.198 0.523 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCCOCC)CCC[C@@H]12 ZINC001107299101 758197993 /nfs/dbraw/zinc/19/79/93/758197993.db2.gz GNWACIBPWXYXMD-VQIMIIECSA-N 1 1 349.475 0.913 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001077107874 758209791 /nfs/dbraw/zinc/20/97/91/758209791.db2.gz BSBTYMMCPUAYJE-HUUCEWRRSA-N 1 1 325.372 0.270 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001077107874 758209799 /nfs/dbraw/zinc/20/97/99/758209799.db2.gz BSBTYMMCPUAYJE-HUUCEWRRSA-N 1 1 325.372 0.270 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)CCc3ccccc3C(N)=O)C[C@H]2C1 ZINC001049172524 758215153 /nfs/dbraw/zinc/21/51/53/758215153.db2.gz XVDJGQUXSDBXNQ-IYBDPMFKSA-N 1 1 325.412 0.742 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@@H]3C2)nc1 ZINC001049177504 758232317 /nfs/dbraw/zinc/23/23/17/758232317.db2.gz DDPXPODIJOEKIA-GASCZTMLSA-N 1 1 326.400 0.155 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]3C2)cc1 ZINC001049179589 758238832 /nfs/dbraw/zinc/23/88/32/758238832.db2.gz CAOJJOYSOCIYFB-BBWFWOEESA-N 1 1 338.411 0.727 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)OC)CCC[C@@H]12 ZINC001107323116 758242995 /nfs/dbraw/zinc/24/29/95/758242995.db2.gz PRFWUDDSYZLANK-HDMKZQKVSA-N 1 1 335.448 0.522 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001022101836 758279345 /nfs/dbraw/zinc/27/93/45/758279345.db2.gz VJDSKDBSDRCSCW-BARDWOONSA-N 1 1 348.451 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1[nH]c(=O)[nH]c1C ZINC001077124645 758286936 /nfs/dbraw/zinc/28/69/36/758286936.db2.gz AOFTYXVPYDIDQR-AAEUAGOBSA-N 1 1 347.419 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1[nH]c(=O)[nH]c1C ZINC001077124645 758286941 /nfs/dbraw/zinc/28/69/41/758286941.db2.gz AOFTYXVPYDIDQR-AAEUAGOBSA-N 1 1 347.419 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001077124668 758287512 /nfs/dbraw/zinc/28/75/12/758287512.db2.gz BWZGKDSLMYFHJI-BIVLZKPYSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001077124668 758287522 /nfs/dbraw/zinc/28/75/22/758287522.db2.gz BWZGKDSLMYFHJI-BIVLZKPYSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001077125359 758291278 /nfs/dbraw/zinc/29/12/78/758291278.db2.gz SWTUBQNLSPZDJB-HZMVEIRTSA-N 1 1 348.491 0.435 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001077147334 758341346 /nfs/dbraw/zinc/34/13/46/758341346.db2.gz LOLHAUZNFIOMOB-BZUAXINKSA-N 1 1 329.400 0.251 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001077147405 758341655 /nfs/dbraw/zinc/34/16/55/758341655.db2.gz NQCLZQKRBNTTFK-CGTJXYLNSA-N 1 1 328.412 0.910 20 30 ECEDMO C=CCCC(=O)N1C[C@H](C)OC2(CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001111538939 758372860 /nfs/dbraw/zinc/37/28/60/758372860.db2.gz UIBPEPWHFRHCNX-HNNXBMFYSA-N 1 1 348.447 0.674 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H](C)OC)CC2 ZINC001107374119 758400698 /nfs/dbraw/zinc/40/06/98/758400698.db2.gz KTUDRWKBHCDFLO-IIDMSEBBSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H]1CCOC1)CC2 ZINC001107374571 758401282 /nfs/dbraw/zinc/40/12/82/758401282.db2.gz XGJRIABMJITMQH-FRQCXROJSA-N 1 1 347.459 0.523 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001077168666 758405169 /nfs/dbraw/zinc/40/51/69/758405169.db2.gz FUPJJWZCURLXKS-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@H]2C1 ZINC001049248839 758432018 /nfs/dbraw/zinc/43/20/18/758432018.db2.gz GKEXCLHCCPTWHR-XQQFMLRXSA-N 1 1 326.828 0.672 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049249809 758435092 /nfs/dbraw/zinc/43/50/92/758435092.db2.gz POCQZJXNHVAKMA-JYJNAYRXSA-N 1 1 335.448 0.162 20 30 ECEDMO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107392954 758448632 /nfs/dbraw/zinc/44/86/32/758448632.db2.gz BEIJNIDOKXNJGP-RDTXWAMCSA-N 1 1 345.447 0.629 20 30 ECEDMO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107392954 758448635 /nfs/dbraw/zinc/44/86/35/758448635.db2.gz BEIJNIDOKXNJGP-RDTXWAMCSA-N 1 1 345.447 0.629 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001049276358 758466949 /nfs/dbraw/zinc/46/69/49/758466949.db2.gz REHRHKOPLKNYIJ-PMPSAXMXSA-N 1 1 339.480 0.959 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC/C=C\CNc2cnc(C#N)cn2)no1 ZINC001107402253 758472061 /nfs/dbraw/zinc/47/20/61/758472061.db2.gz GMYKGYPFICAUGY-ARJAWSKDSA-N 1 1 341.375 0.796 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001077234599 758581338 /nfs/dbraw/zinc/58/13/38/758581338.db2.gz SBZABDMODUNMNO-GDBMZVCRSA-N 1 1 329.404 0.709 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC3CS(=O)(=O)C3)CCC[C@@H]12 ZINC001107458403 758592729 /nfs/dbraw/zinc/59/27/29/758592729.db2.gz BNKLXGBHXXWXMN-NVXWUHKLSA-N 1 1 338.473 0.805 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CC3CS(=O)(=O)C3)CCC[C@@H]12 ZINC001107458403 758592731 /nfs/dbraw/zinc/59/27/31/758592731.db2.gz BNKLXGBHXXWXMN-NVXWUHKLSA-N 1 1 338.473 0.805 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(N)=O ZINC001049383100 758604473 /nfs/dbraw/zinc/60/44/73/758604473.db2.gz PVMIIHLMVOBSIQ-GHMZBOCLSA-N 1 1 330.226 0.836 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(N)=O ZINC001049383100 758604475 /nfs/dbraw/zinc/60/44/75/758604475.db2.gz PVMIIHLMVOBSIQ-GHMZBOCLSA-N 1 1 330.226 0.836 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)c1ccc(C#N)[nH]1 ZINC001077254687 758607576 /nfs/dbraw/zinc/60/75/76/758607576.db2.gz HPENQPHIHBRRIH-SWLSCSKDSA-N 1 1 331.420 0.995 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)C1 ZINC001107465519 758623283 /nfs/dbraw/zinc/62/32/83/758623283.db2.gz DMTYYQPSPRGLJV-ABCZVMIZSA-N 1 1 344.419 0.542 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1O ZINC001049450008 758724107 /nfs/dbraw/zinc/72/41/07/758724107.db2.gz OVTZCYXXKTVXMZ-RLFYNMQTSA-N 1 1 339.480 0.961 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CCC)S(N)(=O)=O)CCC[C@@H]12 ZINC001107487675 758725702 /nfs/dbraw/zinc/72/57/02/758725702.db2.gz ZVRFYYUYHNZBGE-IIAWOOMASA-N 1 1 343.493 0.990 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H](O)CNc2nc(C)[nH+]c(C)c2C)nc1 ZINC001105908679 762654635 /nfs/dbraw/zinc/65/46/35/762654635.db2.gz WVBUIWUTRUQZPN-HNNXBMFYSA-N 1 1 339.399 0.981 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001049456748 758739229 /nfs/dbraw/zinc/73/92/29/758739229.db2.gz OISFQZCNGYPVPD-KSZLIROESA-N 1 1 342.443 0.723 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001077300511 758744729 /nfs/dbraw/zinc/74/47/29/758744729.db2.gz AYHRFGKBYLYPQJ-ZIAGYGMSSA-N 1 1 333.388 0.594 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCN1CCNC1=O ZINC001049468734 758766541 /nfs/dbraw/zinc/76/65/41/758766541.db2.gz XKUPLQVWUZWSGS-HOTGVXAUSA-N 1 1 330.432 0.490 20 30 ECEDMO CC#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107512827 758788148 /nfs/dbraw/zinc/78/81/48/758788148.db2.gz KBADOZNFFAXPAP-RDTXWAMCSA-N 1 1 348.447 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1nnn(C(C)(C)C)n1 ZINC001049498450 758806551 /nfs/dbraw/zinc/80/65/51/758806551.db2.gz KEHITCUOPWGHMO-KBPBESRZSA-N 1 1 330.436 0.669 20 30 ECEDMO C[N@@H+](CC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(C#N)n1)C1CCC1 ZINC001105692894 758911396 /nfs/dbraw/zinc/91/13/96/758911396.db2.gz BGWSRSODMFFLQP-ZFWWWQNUSA-N 1 1 342.447 0.951 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001049557559 758919033 /nfs/dbraw/zinc/91/90/33/758919033.db2.gz ISVIYGUJAPYBEU-RRFJBIMHSA-N 1 1 343.431 0.635 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 ZINC001049558461 758920086 /nfs/dbraw/zinc/92/00/86/758920086.db2.gz PYYWERJSYSSIQS-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001049559435 758921228 /nfs/dbraw/zinc/92/12/28/758921228.db2.gz GXSDVJRHFBPZNQ-PMPSAXMXSA-N 1 1 335.448 0.160 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001049559616 758921723 /nfs/dbraw/zinc/92/17/23/758921723.db2.gz IZBIPJBZEBBPTH-ULQDDVLXSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C(C)(C)COC ZINC001077371169 758926250 /nfs/dbraw/zinc/92/62/50/758926250.db2.gz YBIPGOFGNFPLBB-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C(C)(C)COC ZINC001077371169 758926259 /nfs/dbraw/zinc/92/62/59/758926259.db2.gz YBIPGOFGNFPLBB-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001049569539 758935501 /nfs/dbraw/zinc/93/55/01/758935501.db2.gz ZDOSTSCJVBAZMI-RYUDHWBXSA-N 1 1 337.401 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001049571781 758941932 /nfs/dbraw/zinc/94/19/32/758941932.db2.gz HANNLAUSXAHVHL-GJZGRUSLSA-N 1 1 340.383 0.725 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncsc2C(F)(F)F)C1 ZINC001077381950 758950558 /nfs/dbraw/zinc/95/05/58/758950558.db2.gz FISSMHUVJFBZLM-RKDXNWHRSA-N 1 1 333.335 0.960 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncsc2C(F)(F)F)C1 ZINC001077381950 758950562 /nfs/dbraw/zinc/95/05/62/758950562.db2.gz FISSMHUVJFBZLM-RKDXNWHRSA-N 1 1 333.335 0.960 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049594928 758974008 /nfs/dbraw/zinc/97/40/08/758974008.db2.gz MXSUQMZEORILGA-QZWWFDLISA-N 1 1 347.459 0.888 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001049613689 758993872 /nfs/dbraw/zinc/99/38/72/758993872.db2.gz SZCHWWJNNFXPJI-ARFHVFGLSA-N 1 1 327.432 0.847 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049780101 759195954 /nfs/dbraw/zinc/19/59/54/759195954.db2.gz ZBMWRBVERKZTEC-RYTBJUFESA-N 1 1 344.415 0.063 20 30 ECEDMO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083593939 759196937 /nfs/dbraw/zinc/19/69/37/759196937.db2.gz FHZSYJDBTZXMKD-SJORKVTESA-N 1 1 339.399 0.819 20 30 ECEDMO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083593939 759196941 /nfs/dbraw/zinc/19/69/41/759196941.db2.gz FHZSYJDBTZXMKD-SJORKVTESA-N 1 1 339.399 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001049783980 759201480 /nfs/dbraw/zinc/20/14/80/759201480.db2.gz VVEYODVDEBHVPZ-VSZNYVQBSA-N 1 1 342.443 0.987 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049789727 759212113 /nfs/dbraw/zinc/21/21/13/759212113.db2.gz FKBOCMYTLKHGOS-UONOGXRCSA-N 1 1 334.420 0.570 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2csc(NC(C)=O)n2)[C@@H](O)C1 ZINC001083596832 759213689 /nfs/dbraw/zinc/21/36/89/759213689.db2.gz QMHNPCULKKARFT-YPMHNXCESA-N 1 1 338.433 0.843 20 30 ECEDMO Cc1nsc(NC[C@@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1C#N ZINC001105913916 762694036 /nfs/dbraw/zinc/69/40/36/762694036.db2.gz LUJWCEWEFHJGOB-NEPJUHHUSA-N 1 1 337.449 0.554 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049824470 759258832 /nfs/dbraw/zinc/25/88/32/759258832.db2.gz HHEIKUMNUJKGTM-QWHCGFSZSA-N 1 1 334.420 0.568 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049827116 759261503 /nfs/dbraw/zinc/26/15/03/759261503.db2.gz UQXOURBXXRAGHD-QWHCGFSZSA-N 1 1 332.404 0.015 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049827594 759262282 /nfs/dbraw/zinc/26/22/82/759262282.db2.gz XACKELGMCPDHBQ-ZIAGYGMSSA-N 1 1 348.447 0.958 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O ZINC001049839473 759278554 /nfs/dbraw/zinc/27/85/54/759278554.db2.gz IFZZICFBBAQOAR-UONOGXRCSA-N 1 1 334.420 0.522 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O ZINC001049842483 759286910 /nfs/dbraw/zinc/28/69/10/759286910.db2.gz WXXIPLORUMXPQB-UONOGXRCSA-N 1 1 334.420 0.522 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)NC)nc1 ZINC001049853178 759304957 /nfs/dbraw/zinc/30/49/57/759304957.db2.gz ABUQQXDXZHAANG-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)NC)nc1 ZINC001049853178 759304964 /nfs/dbraw/zinc/30/49/64/759304964.db2.gz ABUQQXDXZHAANG-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001049854382 759305643 /nfs/dbraw/zinc/30/56/43/759305643.db2.gz KVUGUWIAUCMWSM-HUUCEWRRSA-N 1 1 342.399 0.258 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001049854382 759305648 /nfs/dbraw/zinc/30/56/48/759305648.db2.gz KVUGUWIAUCMWSM-HUUCEWRRSA-N 1 1 342.399 0.258 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNc2ncc(C#N)cc2F)C1 ZINC001105913572 762701562 /nfs/dbraw/zinc/70/15/62/762701562.db2.gz FWJUKWGNDQHVBB-DGCLKSJQSA-N 1 1 335.383 0.323 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049886986 759351626 /nfs/dbraw/zinc/35/16/26/759351626.db2.gz XPIOVGFLTNNRHP-UONOGXRCSA-N 1 1 332.404 0.741 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1NC(=O)NC1=O ZINC001049887246 759351772 /nfs/dbraw/zinc/35/17/72/759351772.db2.gz VWLWMUNHIKGKGP-MGPQQGTHSA-N 1 1 334.420 0.616 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049886987 759352096 /nfs/dbraw/zinc/35/20/96/759352096.db2.gz XPIOVGFLTNNRHP-ZIAGYGMSSA-N 1 1 332.404 0.741 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049888243 759353044 /nfs/dbraw/zinc/35/30/44/759353044.db2.gz ZZNYZFYYILTXFU-QWHCGFSZSA-N 1 1 327.388 0.278 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001047636043 759366023 /nfs/dbraw/zinc/36/60/23/759366023.db2.gz LAMXNZUCWCFPQI-ILXRZTDVSA-N 1 1 333.436 0.229 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)CN1CCOCC1)C2 ZINC001054240904 767853607 /nfs/dbraw/zinc/85/36/07/767853607.db2.gz FYBHHYBHLWASRG-PKOBYXMFSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)CN1CCOCC1)C2 ZINC001054240904 767853613 /nfs/dbraw/zinc/85/36/13/767853613.db2.gz FYBHHYBHLWASRG-PKOBYXMFSA-N 1 1 333.476 0.902 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001049900926 759380844 /nfs/dbraw/zinc/38/08/44/759380844.db2.gz VUHCMJHWORLQQM-MGPQQGTHSA-N 1 1 327.450 0.320 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C(N)=O)n1 ZINC001049914167 759396833 /nfs/dbraw/zinc/39/68/33/759396833.db2.gz ANTAYSNOZBDRKV-JKSUJKDBSA-N 1 1 326.400 0.883 20 30 ECEDMO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047651573 759412319 /nfs/dbraw/zinc/41/23/19/759412319.db2.gz HGRMMBAVHVXUAM-HOTGVXAUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047651573 759412323 /nfs/dbraw/zinc/41/23/23/759412323.db2.gz HGRMMBAVHVXUAM-HOTGVXAUSA-N 1 1 339.399 0.907 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001047653503 759415595 /nfs/dbraw/zinc/41/55/95/759415595.db2.gz KPOYNWPOQIVUMS-KBPBESRZSA-N 1 1 329.356 0.674 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001047653503 759415597 /nfs/dbraw/zinc/41/55/97/759415597.db2.gz KPOYNWPOQIVUMS-KBPBESRZSA-N 1 1 329.356 0.674 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc3nsnc32)C1 ZINC001047657742 759418647 /nfs/dbraw/zinc/41/86/47/759418647.db2.gz JOCIFOWPQWTLIO-GJZGRUSLSA-N 1 1 344.440 0.761 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)c1 ZINC001083720232 767861549 /nfs/dbraw/zinc/86/15/49/767861549.db2.gz RZIDVBDSQCLEHN-CVEARBPZSA-N 1 1 326.356 0.450 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)c1 ZINC001083720232 767861557 /nfs/dbraw/zinc/86/15/57/767861557.db2.gz RZIDVBDSQCLEHN-CVEARBPZSA-N 1 1 326.356 0.450 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001054250067 767868776 /nfs/dbraw/zinc/86/87/76/767868776.db2.gz KNYJLTAAGRNREG-KSSFIOAISA-N 1 1 333.432 0.930 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)c[nH]1 ZINC001050025630 759565161 /nfs/dbraw/zinc/56/51/61/759565161.db2.gz CLNYHOPDRZKMFN-TUKIKUTGSA-N 1 1 327.388 0.311 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001032201694 759580200 /nfs/dbraw/zinc/58/02/00/759580200.db2.gz IOZUQDGRICPHHO-INIZCTEOSA-N 1 1 348.472 0.888 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001032201694 759580204 /nfs/dbraw/zinc/58/02/04/759580204.db2.gz IOZUQDGRICPHHO-INIZCTEOSA-N 1 1 348.472 0.888 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001050044931 759608649 /nfs/dbraw/zinc/60/86/49/759608649.db2.gz UMNONAFNLMLPNC-DLBZAZTESA-N 1 1 329.444 0.945 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001050045277 759609668 /nfs/dbraw/zinc/60/96/68/759609668.db2.gz ADZNJGXQRHLXKY-DLBZAZTESA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2CN(CCN3CCCC3=O)C2)CC1 ZINC001032207222 759628608 /nfs/dbraw/zinc/62/86/08/759628608.db2.gz IFCUALRLFNCWRU-UHFFFAOYSA-N 1 1 346.475 0.002 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001017346402 767877722 /nfs/dbraw/zinc/87/77/22/767877722.db2.gz MIUUNESUBVFJAY-IKGGRYGDSA-N 1 1 347.459 0.947 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnc4n3CCOC4)[C@@H]2C1 ZINC001050068350 759649333 /nfs/dbraw/zinc/64/93/33/759649333.db2.gz LFJHNIPVSYKYIV-GOEBONIOSA-N 1 1 328.416 0.973 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1cc(C)[nH+]c(C)n1 ZINC001125100023 759676371 /nfs/dbraw/zinc/67/63/71/759676371.db2.gz HVHHXYXJVJCGTJ-RHSMWYFYSA-N 1 1 336.436 0.676 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nncn4CC3)[C@@H]2C1 ZINC001050099634 759701049 /nfs/dbraw/zinc/70/10/49/759701049.db2.gz HULGHBOVLWQKLR-OWCLPIDISA-N 1 1 327.432 0.787 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CCO)C2 ZINC001054268359 767883628 /nfs/dbraw/zinc/88/36/28/767883628.db2.gz VUGLVGIABQSJMY-SFHVURJKSA-N 1 1 327.428 0.708 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CCO)C2 ZINC001054268359 767883635 /nfs/dbraw/zinc/88/36/35/767883635.db2.gz VUGLVGIABQSJMY-SFHVURJKSA-N 1 1 327.428 0.708 20 30 ECEDMO Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C)c1C#N ZINC001050106239 759716872 /nfs/dbraw/zinc/71/68/72/759716872.db2.gz NFBBOGBBWGDPQO-XBFCOCLRSA-N 1 1 349.460 0.737 20 30 ECEDMO Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C)c1C#N ZINC001050106239 759716879 /nfs/dbraw/zinc/71/68/79/759716879.db2.gz NFBBOGBBWGDPQO-XBFCOCLRSA-N 1 1 349.460 0.737 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cnco4)[C@@H]3C2)C1=O ZINC001050107384 759718403 /nfs/dbraw/zinc/71/84/03/759718403.db2.gz DMIKNYCTEZSLNO-RRFJBIMHSA-N 1 1 344.415 0.998 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001012332842 759735008 /nfs/dbraw/zinc/73/50/08/759735008.db2.gz MSQVKMMRQXDIFA-CYBMUJFWSA-N 1 1 345.403 0.714 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1)C2 ZINC001012333089 759736310 /nfs/dbraw/zinc/73/63/10/759736310.db2.gz QTZPPHYWXYQHIF-GXTWGEPZSA-N 1 1 329.404 0.584 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)CC1(C)C ZINC000995566160 759801998 /nfs/dbraw/zinc/80/19/98/759801998.db2.gz UJHVIKBHKBQUFT-CHWSQXEVSA-N 1 1 333.440 0.959 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](C)COC)nn2)C1 ZINC001098672431 759833717 /nfs/dbraw/zinc/83/37/17/759833717.db2.gz FJNWOKRBNWOCLF-GDBMZVCRSA-N 1 1 349.435 0.216 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@H]2C[N@H+](CC(C)C)CCO2)C1=O ZINC000348500865 759847934 /nfs/dbraw/zinc/84/79/34/759847934.db2.gz ORBLEBJLAQDXBL-ZIAGYGMSSA-N 1 1 325.409 0.466 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@H]2C[N@@H+](CC(C)C)CCO2)C1=O ZINC000348500865 759847945 /nfs/dbraw/zinc/84/79/45/759847945.db2.gz ORBLEBJLAQDXBL-ZIAGYGMSSA-N 1 1 325.409 0.466 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001050171205 759857457 /nfs/dbraw/zinc/85/74/57/759857457.db2.gz OHPZATRAEMLSKA-DZGCQCFKSA-N 1 1 344.415 0.685 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001050181527 759885328 /nfs/dbraw/zinc/88/53/28/759885328.db2.gz UNDFZRQXERUZOG-LSDHHAIUSA-N 1 1 348.447 0.769 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001050197633 759918253 /nfs/dbraw/zinc/91/82/53/759918253.db2.gz YMKGLRFZXYDXNH-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCCO)C[C@H]32)CC1 ZINC001050208928 759944510 /nfs/dbraw/zinc/94/45/10/759944510.db2.gz WJTIQVGWFANWPN-ZWKOTPCHSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCCO)C[C@H]32)CC1 ZINC001050208928 759944514 /nfs/dbraw/zinc/94/45/14/759944514.db2.gz WJTIQVGWFANWPN-ZWKOTPCHSA-N 1 1 333.476 0.637 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccc(C(N)=O)nc3)C2)cc1 ZINC001032224223 759946095 /nfs/dbraw/zinc/94/60/95/759946095.db2.gz YSBOHGOILJJCKB-UHFFFAOYSA-N 1 1 349.394 0.914 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001050219699 759960401 /nfs/dbraw/zinc/96/04/01/759960401.db2.gz AGQUSRQDFPETBH-RWMBFGLXSA-N 1 1 339.823 0.715 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001050219699 759960408 /nfs/dbraw/zinc/96/04/08/759960408.db2.gz AGQUSRQDFPETBH-RWMBFGLXSA-N 1 1 339.823 0.715 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001050224531 759976262 /nfs/dbraw/zinc/97/62/62/759976262.db2.gz ZOAOXZMKDBDJIH-UONOGXRCSA-N 1 1 331.420 0.638 20 30 ECEDMO Cn1cc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)nn1 ZINC000995683813 760042552 /nfs/dbraw/zinc/04/25/52/760042552.db2.gz ZCTWVFPFIONRFI-CQSZACIVSA-N 1 1 327.392 0.655 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1nncn1-c1ccccc1 ZINC001127032077 760044219 /nfs/dbraw/zinc/04/42/19/760044219.db2.gz RFBQGTZILBEQEP-UHFFFAOYSA-N 1 1 327.388 0.513 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)c1 ZINC001012517381 760158351 /nfs/dbraw/zinc/15/83/51/760158351.db2.gz UCMGEDBTYTWAPK-HNNXBMFYSA-N 1 1 340.427 0.689 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc3cc(OC)ccn32)[C@@H](O)C1 ZINC001083642115 760207753 /nfs/dbraw/zinc/20/77/53/760207753.db2.gz QNSLJJQLKVIVIZ-HIFRSBDPSA-N 1 1 330.388 0.694 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(OC)ccn32)[C@@H](O)C1 ZINC001083642115 760207757 /nfs/dbraw/zinc/20/77/57/760207757.db2.gz QNSLJJQLKVIVIZ-HIFRSBDPSA-N 1 1 330.388 0.694 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CN2CCCC2=O)c1 ZINC001032271020 760454799 /nfs/dbraw/zinc/45/47/99/760454799.db2.gz SPNDBFBONKJFDO-IRXDYDNUSA-N 1 1 338.411 0.966 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CN2CCCC2=O)c1 ZINC001032271020 760454807 /nfs/dbraw/zinc/45/48/07/760454807.db2.gz SPNDBFBONKJFDO-IRXDYDNUSA-N 1 1 338.411 0.966 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001050588665 760538871 /nfs/dbraw/zinc/53/88/71/760538871.db2.gz WAWOYQAQQQXPBJ-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001077440689 760623118 /nfs/dbraw/zinc/62/31/18/760623118.db2.gz SATVOMLJUDLRPB-ZIAGYGMSSA-N 1 1 331.376 0.426 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001077440689 760623126 /nfs/dbraw/zinc/62/31/26/760623126.db2.gz SATVOMLJUDLRPB-ZIAGYGMSSA-N 1 1 331.376 0.426 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@H]12 ZINC000991385350 760626173 /nfs/dbraw/zinc/62/61/73/760626173.db2.gz KXWPTEYVZXONJU-LPHOPBHVSA-N 1 1 340.427 0.860 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC000995780913 760644343 /nfs/dbraw/zinc/64/43/43/760644343.db2.gz ZXGRAJAHGKEKNV-AWEZNQCLSA-N 1 1 330.436 0.994 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1O ZINC001048528063 760665904 /nfs/dbraw/zinc/66/59/04/760665904.db2.gz VHQMAGCZAALJTC-GJZGRUSLSA-N 1 1 325.453 0.715 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066466 760693338 /nfs/dbraw/zinc/69/33/38/760693338.db2.gz PGNXKNQOABFSQX-OAHLLOKOSA-N 1 1 337.468 0.327 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCN(C)S1(=O)=O)C2 ZINC001048574408 760738360 /nfs/dbraw/zinc/73/83/60/760738360.db2.gz XBMAYEVJLCEBFF-LXTVHRRPSA-N 1 1 341.477 0.566 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)nc1 ZINC001048582976 760753368 /nfs/dbraw/zinc/75/33/68/760753368.db2.gz ZUXQDMLRZMWXBF-QDMKHBRRSA-N 1 1 326.400 0.521 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001048586855 760758962 /nfs/dbraw/zinc/75/89/62/760758962.db2.gz XHJSHEORGMTOAD-YYIAUSFCSA-N 1 1 333.432 0.226 20 30 ECEDMO O=C([C@@H]1COCCO1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048689898 760941411 /nfs/dbraw/zinc/94/14/11/760941411.db2.gz DXAZOWPSFMDLJD-OTWHNJEPSA-N 1 1 340.423 0.844 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3coc(S(N)(=O)=O)c3)CCC[C@@H]12 ZINC000991447888 760993914 /nfs/dbraw/zinc/99/39/14/760993914.db2.gz PBMOHURUMLYPHC-IUODEOHRSA-N 1 1 337.401 0.287 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CCCCC3)C[C@@H]2C1 ZINC001048726436 761051167 /nfs/dbraw/zinc/05/11/67/761051167.db2.gz DXAPPPQZUJVIQL-SOUVJXGZSA-N 1 1 332.448 0.985 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@H]2CCOC2)c[nH]1 ZINC001050880080 761061565 /nfs/dbraw/zinc/06/15/65/761061565.db2.gz MAYNVWDTLHIWOM-BBRMVZONSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@H]2CCOC2)c[nH]1 ZINC001050880080 761061576 /nfs/dbraw/zinc/06/15/76/761061576.db2.gz MAYNVWDTLHIWOM-BBRMVZONSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H]2CCCOC2)c[nH]1 ZINC001050880890 761063525 /nfs/dbraw/zinc/06/35/25/761063525.db2.gz ZDOWDRTWHSIJFM-CJNGLKHVSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2C[C@H]2CCCOC2)c[nH]1 ZINC001050880890 761063534 /nfs/dbraw/zinc/06/35/34/761063534.db2.gz ZDOWDRTWHSIJFM-CJNGLKHVSA-N 1 1 332.404 0.744 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1c1ccc(C#N)nn1 ZINC001050902136 761109432 /nfs/dbraw/zinc/10/94/32/761109432.db2.gz JEVKTQDEMSIECE-SNPRPXQTSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CSC)C[C@@]2(C)C1 ZINC000993067951 768009764 /nfs/dbraw/zinc/00/97/64/768009764.db2.gz ITKIMTYKPKGEEA-VKJFTORMSA-N 1 1 349.500 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CSC)C[C@@]2(C)C1 ZINC000993067951 768009771 /nfs/dbraw/zinc/00/97/71/768009771.db2.gz ITKIMTYKPKGEEA-VKJFTORMSA-N 1 1 349.500 0.754 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC000991478510 761134716 /nfs/dbraw/zinc/13/47/16/761134716.db2.gz BDFSFNYKJFMXOT-GJZGRUSLSA-N 1 1 348.447 0.872 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CSCC#N)C1 ZINC001050949897 761200122 /nfs/dbraw/zinc/20/01/22/761200122.db2.gz HSGLAZKNPNEJDJ-KGLIPLIRSA-N 1 1 340.493 0.937 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CCCn3ccnn3)CC2)C1 ZINC001105713802 761237629 /nfs/dbraw/zinc/23/76/29/761237629.db2.gz WFZOZTFCEZXNDH-UHFFFAOYSA-N 1 1 345.447 0.773 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1OC ZINC001212148372 761250359 /nfs/dbraw/zinc/25/03/59/761250359.db2.gz JMJVBVTUIOMWEJ-GVDBMIGSSA-N 1 1 348.447 0.253 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1OC ZINC001212150206 761316526 /nfs/dbraw/zinc/31/65/26/761316526.db2.gz ROHJQFKQMXBDGX-IAGOWNOFSA-N 1 1 349.475 0.912 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(c3nccnc3C#N)[C@@H]2C)C1 ZINC001051015518 761340200 /nfs/dbraw/zinc/34/02/00/761340200.db2.gz JEUXHNLQUSSYDK-MCIONIFRSA-N 1 1 328.420 0.773 20 30 ECEDMO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1[NH2+]Cc1ncnn1CCF ZINC001054547961 768037863 /nfs/dbraw/zinc/03/78/63/768037863.db2.gz NQEYCUHJGTZIAY-FZMZJTMJSA-N 1 1 345.382 0.698 20 30 ECEDMO N#CCN1CCOC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001051188770 761647670 /nfs/dbraw/zinc/64/76/70/761647670.db2.gz LENRDERMFRDPRS-OAHLLOKOSA-N 1 1 326.360 0.221 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001060288542 761825501 /nfs/dbraw/zinc/82/55/01/761825501.db2.gz AXNMLZIDXQKSBG-LSDHHAIUSA-N 1 1 336.436 0.223 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001051314628 761874346 /nfs/dbraw/zinc/87/43/46/761874346.db2.gz PIDJZZSBQPSHKR-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001105917229 762743471 /nfs/dbraw/zinc/74/34/71/762743471.db2.gz FTGBPHRSPCKZLY-ZDUSSCGKSA-N 1 1 337.399 0.713 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1cc(C)ncc1C#N ZINC001105918088 762756189 /nfs/dbraw/zinc/75/61/89/762756189.db2.gz WQUQGZQUWXMXPF-HNNXBMFYSA-N 1 1 333.436 0.305 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001105933915 762886435 /nfs/dbraw/zinc/88/64/35/762886435.db2.gz DBZDJJPUTBNJEP-OAHLLOKOSA-N 1 1 348.451 0.749 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)CC1=O ZINC001014615100 762906632 /nfs/dbraw/zinc/90/66/32/762906632.db2.gz HCVYHTOLSSKJKT-DLBZAZTESA-N 1 1 325.412 0.707 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CC1=O ZINC001014615100 762906637 /nfs/dbraw/zinc/90/66/37/762906637.db2.gz HCVYHTOLSSKJKT-DLBZAZTESA-N 1 1 325.412 0.707 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)CC1=O ZINC001014615104 762906729 /nfs/dbraw/zinc/90/67/29/762906729.db2.gz HCVYHTOLSSKJKT-SJORKVTESA-N 1 1 325.412 0.707 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CC1=O ZINC001014615104 762906730 /nfs/dbraw/zinc/90/67/30/762906730.db2.gz HCVYHTOLSSKJKT-SJORKVTESA-N 1 1 325.412 0.707 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCN(C(N)=O)C3)CCC[C@@H]12 ZINC000991715984 762917524 /nfs/dbraw/zinc/91/75/24/762917524.db2.gz ZWDUJOKTZJVBDA-IIDMSEBBSA-N 1 1 332.448 0.914 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000991717716 762923817 /nfs/dbraw/zinc/92/38/17/762923817.db2.gz BQHWPKCQNAVXGJ-HNNXBMFYSA-N 1 1 341.411 0.591 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc4n(n3)CCC4)C2)C1=O ZINC001014645307 762957315 /nfs/dbraw/zinc/95/73/15/762957315.db2.gz NLKMLLDTQRZGLE-CZUORRHYSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc4n(n3)CCC4)C2)C1=O ZINC001014645307 762957317 /nfs/dbraw/zinc/95/73/17/762957317.db2.gz NLKMLLDTQRZGLE-CZUORRHYSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C3(F)CCOCC3)C2)C1=O ZINC001014659458 762966806 /nfs/dbraw/zinc/96/68/06/762966806.db2.gz OCFXTCWXJNTRHN-KBPBESRZSA-N 1 1 339.411 0.483 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C3(F)CCOCC3)C2)C1=O ZINC001014659458 762966811 /nfs/dbraw/zinc/96/68/11/762966811.db2.gz OCFXTCWXJNTRHN-KBPBESRZSA-N 1 1 339.411 0.483 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)[nH]3)C2)c1 ZINC001051815962 763030695 /nfs/dbraw/zinc/03/06/95/763030695.db2.gz GGXGNMVGDDGMLT-HNNXBMFYSA-N 1 1 340.387 0.120 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001014725488 763042834 /nfs/dbraw/zinc/04/28/34/763042834.db2.gz PAMCZMHSVXLWTQ-CQSZACIVSA-N 1 1 344.415 0.627 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001014732507 763050858 /nfs/dbraw/zinc/05/08/58/763050858.db2.gz UIJVUEXFXBOUOQ-JSGCOSHPSA-N 1 1 330.388 0.283 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001014732507 763050862 /nfs/dbraw/zinc/05/08/62/763050862.db2.gz UIJVUEXFXBOUOQ-JSGCOSHPSA-N 1 1 330.388 0.283 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(C)on2)C1 ZINC001051829175 763066040 /nfs/dbraw/zinc/06/60/40/763066040.db2.gz WJAQTUZPKOPGOK-XHSDSOJGSA-N 1 1 335.404 0.891 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001051834131 763075993 /nfs/dbraw/zinc/07/59/93/763075993.db2.gz HOQQXCGCJRKGIF-MJBXVCDLSA-N 1 1 335.408 0.021 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017549697 768105581 /nfs/dbraw/zinc/10/55/81/768105581.db2.gz KSQZAYPTQZEBMO-MCIONIFRSA-N 1 1 329.404 0.624 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017549697 768105586 /nfs/dbraw/zinc/10/55/86/768105586.db2.gz KSQZAYPTQZEBMO-MCIONIFRSA-N 1 1 329.404 0.624 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC001046779158 763113580 /nfs/dbraw/zinc/11/35/80/763113580.db2.gz PYYQIEWASSSCLR-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)cn1 ZINC001089841381 763121474 /nfs/dbraw/zinc/12/14/74/763121474.db2.gz FPVYYDLFWWKAAI-IVSAIRAKSA-N 1 1 340.427 0.586 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nccc(C)n2)C1 ZINC001014770559 763126912 /nfs/dbraw/zinc/12/69/12/763126912.db2.gz SAMFBSYTMMQAHL-CVEARBPZSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nccc(C)n2)C1 ZINC001014770559 763126916 /nfs/dbraw/zinc/12/69/16/763126916.db2.gz SAMFBSYTMMQAHL-CVEARBPZSA-N 1 1 327.432 0.573 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001054635273 768109253 /nfs/dbraw/zinc/10/92/53/768109253.db2.gz GUKYJYKMUUWMJO-AAEUAGOBSA-N 1 1 337.374 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2snnc2C)C1 ZINC001014780907 763142003 /nfs/dbraw/zinc/14/20/03/763142003.db2.gz XFXUGWSNJUQIDJ-KGLIPLIRSA-N 1 1 333.461 0.635 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2snnc2C)C1 ZINC001014780907 763142007 /nfs/dbraw/zinc/14/20/07/763142007.db2.gz XFXUGWSNJUQIDJ-KGLIPLIRSA-N 1 1 333.461 0.635 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC001014780654 763142256 /nfs/dbraw/zinc/14/22/56/763142256.db2.gz UOTWUXWSJSCITP-MSOLQXFVSA-N 1 1 343.475 0.788 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001046806163 763148836 /nfs/dbraw/zinc/14/88/36/763148836.db2.gz PXBPERWXKKPHJO-KDOFPFPSSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001046806163 763148840 /nfs/dbraw/zinc/14/88/40/763148840.db2.gz PXBPERWXKKPHJO-KDOFPFPSSA-N 1 1 345.447 0.953 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001051867539 763153054 /nfs/dbraw/zinc/15/30/54/763153054.db2.gz KWLIQXKNTPAXIB-PMPSAXMXSA-N 1 1 349.435 0.113 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001054636300 768110815 /nfs/dbraw/zinc/11/08/15/768110815.db2.gz JTCVSIRVROZWHD-TZMCWYRMSA-N 1 1 329.404 0.158 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3nc(CC)c[nH]3)C2)C1=O ZINC001014788317 763158448 /nfs/dbraw/zinc/15/84/48/763158448.db2.gz GBVJDGYMFRXMNK-HUUCEWRRSA-N 1 1 345.447 0.492 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3nc(CC)c[nH]3)C2)C1=O ZINC001014788317 763158453 /nfs/dbraw/zinc/15/84/53/763158453.db2.gz GBVJDGYMFRXMNK-HUUCEWRRSA-N 1 1 345.447 0.492 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089852633 763174784 /nfs/dbraw/zinc/17/47/84/763174784.db2.gz IPDKZKCOBASPKT-YVSFHVDLSA-N 1 1 338.411 0.712 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001051876699 763182295 /nfs/dbraw/zinc/18/22/95/763182295.db2.gz SPZMVGTXLFBWST-CQSZACIVSA-N 1 1 345.334 0.711 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccoc1CC(N)=O ZINC001089854002 763194558 /nfs/dbraw/zinc/19/45/58/763194558.db2.gz ZKLIJLOYOKGTEK-HNKHHVNMSA-N 1 1 341.411 0.723 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CCCNC1=O ZINC001014811983 763215201 /nfs/dbraw/zinc/21/52/01/763215201.db2.gz PSBTZOHIJGBGHJ-IRXDYDNUSA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCCNC1=O ZINC001014811983 763215209 /nfs/dbraw/zinc/21/52/09/763215209.db2.gz PSBTZOHIJGBGHJ-IRXDYDNUSA-N 1 1 325.412 0.755 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2snnc2CC)C1 ZINC000995059301 763243901 /nfs/dbraw/zinc/24/39/01/763243901.db2.gz SHJRAUOQKZFVHX-ZDUSSCGKSA-N 1 1 347.444 0.139 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2snnc2CC)C1 ZINC000995059301 763243909 /nfs/dbraw/zinc/24/39/09/763243909.db2.gz SHJRAUOQKZFVHX-ZDUSSCGKSA-N 1 1 347.444 0.139 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001014840808 763287122 /nfs/dbraw/zinc/28/71/22/763287122.db2.gz UIBFAODFEABPLG-NWDGAFQWSA-N 1 1 333.392 0.015 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001014840808 763287126 /nfs/dbraw/zinc/28/71/26/763287126.db2.gz UIBFAODFEABPLG-NWDGAFQWSA-N 1 1 333.392 0.015 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001030442146 763316379 /nfs/dbraw/zinc/31/63/79/763316379.db2.gz NLQFSEQYAJWVRQ-IRXDYDNUSA-N 1 1 348.491 0.837 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001046925223 763396666 /nfs/dbraw/zinc/39/66/66/763396666.db2.gz HLRGJYLBSKCZRM-LBPRGKRZSA-N 1 1 325.363 0.834 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046927356 763401755 /nfs/dbraw/zinc/40/17/55/763401755.db2.gz YCFWYSHYNNNANW-UONOGXRCSA-N 1 1 331.407 0.967 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001046930988 763408514 /nfs/dbraw/zinc/40/85/14/763408514.db2.gz NZPCDPPCTZRLIM-ZIAGYGMSSA-N 1 1 329.391 0.414 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001046930988 763408520 /nfs/dbraw/zinc/40/85/20/763408520.db2.gz NZPCDPPCTZRLIM-ZIAGYGMSSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001046935071 763417220 /nfs/dbraw/zinc/41/72/20/763417220.db2.gz MDBQICZAXGUNIL-AWEZNQCLSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001046952993 763452633 /nfs/dbraw/zinc/45/26/33/763452633.db2.gz CNLYALVKGMLJIK-CABCVRRESA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001046954130 763453986 /nfs/dbraw/zinc/45/39/86/763453986.db2.gz QIJFOYCMXWVAHF-OLZOCXBDSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001046954130 763453990 /nfs/dbraw/zinc/45/39/90/763453990.db2.gz QIJFOYCMXWVAHF-OLZOCXBDSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2coc(C3CC3)n2)C1 ZINC001030464352 763457602 /nfs/dbraw/zinc/45/76/02/763457602.db2.gz QCIZUJNTNOKGBY-INIZCTEOSA-N 1 1 328.416 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2coc(C3CC3)n2)C1 ZINC001030464352 763457606 /nfs/dbraw/zinc/45/76/06/763457606.db2.gz QCIZUJNTNOKGBY-INIZCTEOSA-N 1 1 328.416 0.950 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001046956756 763459765 /nfs/dbraw/zinc/45/97/65/763459765.db2.gz FRHMAAUPHLHHJA-CYBMUJFWSA-N 1 1 348.357 0.835 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001046957833 763462594 /nfs/dbraw/zinc/46/25/94/763462594.db2.gz SFHPRYUGPLDYIO-LBPRGKRZSA-N 1 1 338.358 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001046957833 763462600 /nfs/dbraw/zinc/46/26/00/763462600.db2.gz SFHPRYUGPLDYIO-LBPRGKRZSA-N 1 1 338.358 0.986 20 30 ECEDMO N#Cc1cncc(NC[C@H](O)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)n1 ZINC001105994547 763466896 /nfs/dbraw/zinc/46/68/96/763466896.db2.gz BRGUYFUOISXHNP-STQMWFEESA-N 1 1 341.375 0.011 20 30 ECEDMO C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001046964398 763475944 /nfs/dbraw/zinc/47/59/44/763475944.db2.gz RLRRMMPGHDZIGK-NSHDSACASA-N 1 1 328.367 0.863 20 30 ECEDMO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001105995037 763481027 /nfs/dbraw/zinc/48/10/27/763481027.db2.gz LCJOUAFWMDWLKT-KBPBESRZSA-N 1 1 340.387 0.616 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001105995148 763483184 /nfs/dbraw/zinc/48/31/84/763483184.db2.gz NZGDEZBLAWDZFJ-JKSUJKDBSA-N 1 1 345.447 0.527 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCS(C)(=O)=O ZINC001099498037 763496530 /nfs/dbraw/zinc/49/65/30/763496530.db2.gz SFEFOOMBUBBGNY-FZKCQIBNSA-N 1 1 338.473 0.613 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001046981686 763503554 /nfs/dbraw/zinc/50/35/54/763503554.db2.gz TVZVOACRLWQICN-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001046981686 763503556 /nfs/dbraw/zinc/50/35/56/763503556.db2.gz TVZVOACRLWQICN-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001046989576 763521766 /nfs/dbraw/zinc/52/17/66/763521766.db2.gz BMNWAHGYJZOHEW-UONOGXRCSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001046989576 763521770 /nfs/dbraw/zinc/52/17/70/763521770.db2.gz BMNWAHGYJZOHEW-UONOGXRCSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046994389 763531419 /nfs/dbraw/zinc/53/14/19/763531419.db2.gz FDUXBTYCHVJWCO-KBPBESRZSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994389 763531423 /nfs/dbraw/zinc/53/14/23/763531423.db2.gz FDUXBTYCHVJWCO-KBPBESRZSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001046995156 763534843 /nfs/dbraw/zinc/53/48/43/763534843.db2.gz NGRJLXTZNNUHCX-CHWSQXEVSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001046995156 763534849 /nfs/dbraw/zinc/53/48/49/763534849.db2.gz NGRJLXTZNNUHCX-CHWSQXEVSA-N 1 1 327.375 0.561 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 ZINC001047023122 763563327 /nfs/dbraw/zinc/56/33/27/763563327.db2.gz JJYFYJCANGALAO-ABHRYQDASA-N 1 1 328.420 0.853 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C1CC1)C[C@H](C)O2 ZINC001111531930 763564295 /nfs/dbraw/zinc/56/42/95/763564295.db2.gz MGTAOAFRRPWDPJ-AWEZNQCLSA-N 1 1 335.448 0.781 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)ncn3)C2)CC1 ZINC001052016523 763592223 /nfs/dbraw/zinc/59/22/23/763592223.db2.gz XGGPEOJQSYGEHR-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC2CC2)C3)c1 ZINC001047050294 763594108 /nfs/dbraw/zinc/59/41/08/763594108.db2.gz HDHSEODCLWGAFF-GLQYFDAESA-N 1 1 341.415 0.748 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033323 763636889 /nfs/dbraw/zinc/63/68/89/763636889.db2.gz OYDZZTVAPLKATK-DLBZAZTESA-N 1 1 348.491 0.648 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033323 763636894 /nfs/dbraw/zinc/63/68/94/763636894.db2.gz OYDZZTVAPLKATK-DLBZAZTESA-N 1 1 348.491 0.648 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033998 763637572 /nfs/dbraw/zinc/63/75/72/763637572.db2.gz YUGJBMLESNGOAG-IAGOWNOFSA-N 1 1 346.475 0.095 20 30 ECEDMO Cc1c(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cnn1C ZINC001052033814 763637885 /nfs/dbraw/zinc/63/78/85/763637885.db2.gz VGDZOBWTKMWOLV-INIZCTEOSA-N 1 1 330.436 0.013 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCOCC2)[C@H](OC)C1 ZINC001212185586 763686318 /nfs/dbraw/zinc/68/63/18/763686318.db2.gz YNGZJFGDHWXRHG-BZUAXINKSA-N 1 1 326.437 0.821 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H](O)CNc1snc(C)c1C#N ZINC001106010529 763689404 /nfs/dbraw/zinc/68/94/04/763689404.db2.gz BNEQLVCSUQOILI-NSHDSACASA-N 1 1 339.465 0.943 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C2)CC1 ZINC001052047727 763692466 /nfs/dbraw/zinc/69/24/66/763692466.db2.gz XOMUVSRFBMMGQM-CQSZACIVSA-N 1 1 340.431 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C2)CC1 ZINC001052047727 763692470 /nfs/dbraw/zinc/69/24/70/763692470.db2.gz XOMUVSRFBMMGQM-CQSZACIVSA-N 1 1 340.431 0.928 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001052048429 763696644 /nfs/dbraw/zinc/69/66/44/763696644.db2.gz UBAXYDWMECLUOX-RBUKOAKNSA-N 1 1 346.519 0.959 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001052049347 763701416 /nfs/dbraw/zinc/70/14/16/763701416.db2.gz FNQISWXPGNBBOQ-TZMCWYRMSA-N 1 1 349.460 0.659 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C2)CC1 ZINC001052049434 763701556 /nfs/dbraw/zinc/70/15/56/763701556.db2.gz LORVZHFAVAEAIW-AWEZNQCLSA-N 1 1 344.415 0.234 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052050498 763706685 /nfs/dbraw/zinc/70/66/85/763706685.db2.gz VRRSFRVCAPVESR-QGZVFWFLSA-N 1 1 329.448 0.352 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(Cl)n3C)C2)CC1 ZINC001052052655 763716716 /nfs/dbraw/zinc/71/67/16/763716716.db2.gz SUCNYXJEUYUKDF-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cccnc3OC)C2)C1=O ZINC001031948833 763736783 /nfs/dbraw/zinc/73/67/83/763736783.db2.gz PXOZMEKWMXSLTL-OAHLLOKOSA-N 1 1 344.415 0.539 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052060783 763741557 /nfs/dbraw/zinc/74/15/57/763741557.db2.gz MCAMVHYOLJNRLJ-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052060783 763741559 /nfs/dbraw/zinc/74/15/59/763741559.db2.gz MCAMVHYOLJNRLJ-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(Cc3ncnn3C)CC2)C1 ZINC001052062232 763745712 /nfs/dbraw/zinc/74/57/12/763745712.db2.gz GYMCIHGZSIAHJD-HNNXBMFYSA-N 1 1 346.479 0.746 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C3(c4cccnc4)CC3)C2)CC1 ZINC001052068655 763763397 /nfs/dbraw/zinc/76/33/97/763763397.db2.gz MALMKWNRORBGKX-SFHVURJKSA-N 1 1 338.455 0.965 20 30 ECEDMO Cc1cc(=O)[nH]cc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052079538 763793036 /nfs/dbraw/zinc/79/30/36/763793036.db2.gz CODKTHFZPWGZOI-CQSZACIVSA-N 1 1 329.404 0.451 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3Cc4ccncc4C3)C2)CC1 ZINC001052083114 763804145 /nfs/dbraw/zinc/80/41/45/763804145.db2.gz JMIVEIVYUCUCBI-PKOBYXMFSA-N 1 1 338.455 0.648 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052088882 763823713 /nfs/dbraw/zinc/82/37/13/763823713.db2.gz MWFOAADRRKIVDQ-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052088882 763823722 /nfs/dbraw/zinc/82/37/22/763823722.db2.gz MWFOAADRRKIVDQ-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCC3CCOCC3)C2)CC1 ZINC001052092493 763832771 /nfs/dbraw/zinc/83/27/71/763832771.db2.gz FVJSFNBWDKOIGI-QGZVFWFLSA-N 1 1 334.464 0.935 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3cccnc3)C2)CC1 ZINC001052098277 763852819 /nfs/dbraw/zinc/85/28/19/763852819.db2.gz HKGXFGIGCOXMFW-OAHLLOKOSA-N 1 1 329.404 0.202 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3cccnc3)C2)CC1 ZINC001052098485 763852942 /nfs/dbraw/zinc/85/29/42/763852942.db2.gz KJSJQPAVMLNUTG-MRXNPFEDSA-N 1 1 330.432 0.865 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3cccnc3)C2)CC1 ZINC001052098485 763852945 /nfs/dbraw/zinc/85/29/45/763852945.db2.gz KJSJQPAVMLNUTG-MRXNPFEDSA-N 1 1 330.432 0.865 20 30 ECEDMO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052098967 763855426 /nfs/dbraw/zinc/85/54/26/763855426.db2.gz SEIKWTGEDUYYHV-CZUORRHYSA-N 1 1 344.463 0.872 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccn4ccnc34)C2)CC1 ZINC001052099267 763856839 /nfs/dbraw/zinc/85/68/39/763856839.db2.gz XAVAVGVUEDCBRF-OAHLLOKOSA-N 1 1 338.415 0.690 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(CC)nn3C)C2)CC1 ZINC001052100578 763861863 /nfs/dbraw/zinc/86/18/63/763861863.db2.gz GDAHCEPSCRKMBJ-KRWDZBQOSA-N 1 1 343.475 0.838 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(OC)nc3)C2)CC1 ZINC001052105785 763877355 /nfs/dbraw/zinc/87/73/55/763877355.db2.gz PEIUGJUCTDUQMS-HNNXBMFYSA-N 1 1 331.420 0.503 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]nc3C3CC3)C2)CC1 ZINC001052105632 763877718 /nfs/dbraw/zinc/87/77/18/763877718.db2.gz MSUKMQDYWQYBFJ-OAHLLOKOSA-N 1 1 327.432 0.752 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)nc3Cl)C2)CC1 ZINC001052106905 763883411 /nfs/dbraw/zinc/88/34/11/763883411.db2.gz WLBVVWVKADYZNS-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)Oc3ccccn3)C2)CC1 ZINC001052108140 763890831 /nfs/dbraw/zinc/89/08/31/763890831.db2.gz KECVEZAXCDRHSJ-DLBZAZTESA-N 1 1 342.443 0.701 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212186964 763909933 /nfs/dbraw/zinc/90/99/33/763909933.db2.gz DYWTWTIQNBIZCW-ARFHVFGLSA-N 1 1 335.448 0.522 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC(Nc2ccnc(C#N)n2)C1 ZINC001052115580 763920297 /nfs/dbraw/zinc/92/02/97/763920297.db2.gz REIJLMDTWLMPKI-YMAMQOFZSA-N 1 1 342.447 0.951 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2ccnc(C#N)n2)C1 ZINC001052115579 763920495 /nfs/dbraw/zinc/92/04/95/763920495.db2.gz REIJLMDTWLMPKI-NRXISQOPSA-N 1 1 342.447 0.951 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)CC1 ZINC001052117040 763925730 /nfs/dbraw/zinc/92/57/30/763925730.db2.gz DVYLYUGIQTZCDH-INIZCTEOSA-N 1 1 346.406 0.947 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052118289 763931837 /nfs/dbraw/zinc/93/18/37/763931837.db2.gz BMJQKQIFEVEXAV-DLBZAZTESA-N 1 1 333.480 0.603 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)CC1 ZINC001052120126 763938217 /nfs/dbraw/zinc/93/82/17/763938217.db2.gz ZABOUUZIIJJNDQ-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)N1CCCCC1=O ZINC001052119762 763938312 /nfs/dbraw/zinc/93/83/12/763938312.db2.gz VNPLFHNRMSELSC-HOTGVXAUSA-N 1 1 347.463 0.129 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)n3nc(C)cc3C)C2)CC1 ZINC001052121819 763943560 /nfs/dbraw/zinc/94/35/60/763943560.db2.gz HVQLQLIEUVGOIH-ROUUACIJSA-N 1 1 343.475 0.913 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(N(C)C)ccn3)C2)CC1 ZINC001052121835 763943752 /nfs/dbraw/zinc/94/37/52/763943752.db2.gz ILSSCXKIDTWRKY-KRWDZBQOSA-N 1 1 341.459 0.613 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(OCC)cn3)C2)CC1 ZINC001052125182 763952718 /nfs/dbraw/zinc/95/27/18/763952718.db2.gz LMVLVYYLWJJKAB-OAHLLOKOSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001212187374 764021340 /nfs/dbraw/zinc/02/13/40/764021340.db2.gz QMLYHYUMBNORKA-HZPDHXFCSA-N 1 1 333.436 0.514 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001212187374 764021346 /nfs/dbraw/zinc/02/13/46/764021346.db2.gz QMLYHYUMBNORKA-HZPDHXFCSA-N 1 1 333.436 0.514 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnn(C)c3)CC2)C1=O ZINC001052192477 764036910 /nfs/dbraw/zinc/03/69/10/764036910.db2.gz UJSRCTHUBRBLGV-JKSUJKDBSA-N 1 1 345.447 0.791 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)NC1=O ZINC001038599282 764053963 /nfs/dbraw/zinc/05/39/63/764053963.db2.gz ZFVMDDNCQKZTHX-CABCVRRESA-N 1 1 327.388 0.272 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)NC1=O ZINC001038599282 764053968 /nfs/dbraw/zinc/05/39/68/764053968.db2.gz ZFVMDDNCQKZTHX-CABCVRRESA-N 1 1 327.388 0.272 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C=C3CCC3)C2)C1=O ZINC001047345405 764063451 /nfs/dbraw/zinc/06/34/51/764063451.db2.gz UCIDYAWPICFHOM-PMPSAXMXSA-N 1 1 333.432 0.387 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C=C3CCC3)C2)C1=O ZINC001047345405 764063457 /nfs/dbraw/zinc/06/34/57/764063457.db2.gz UCIDYAWPICFHOM-PMPSAXMXSA-N 1 1 333.432 0.387 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001047354491 764093188 /nfs/dbraw/zinc/09/31/88/764093188.db2.gz ZNPRBTCRVYOFJH-BPUTZDHNSA-N 1 1 332.404 0.573 20 30 ECEDMO C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047383834 764177740 /nfs/dbraw/zinc/17/77/40/764177740.db2.gz JPGOXRBFJQZOLO-HOTGVXAUSA-N 1 1 335.452 0.138 20 30 ECEDMO C=CCn1cc(C(=O)NCC2C[NH+](Cc3oc(C)nc3C)C2)nn1 ZINC001032035494 764222847 /nfs/dbraw/zinc/22/28/47/764222847.db2.gz BCBGIABBVDUPIN-UHFFFAOYSA-N 1 1 330.392 0.931 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC001052318633 764242043 /nfs/dbraw/zinc/24/20/43/764242043.db2.gz CGVYOTKMHHRRFH-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)CC2)[nH]1 ZINC001052320525 764245316 /nfs/dbraw/zinc/24/53/16/764245316.db2.gz QWOZSXRHLWMWGW-ZDUSSCGKSA-N 1 1 344.419 0.496 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2ocnc2C)C[C@@H]1O ZINC001047415302 764272842 /nfs/dbraw/zinc/27/28/42/764272842.db2.gz RTPMKIXEQNXVIR-JYJNAYRXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2ocnc2C)C[C@@H]1O ZINC001047415302 764272845 /nfs/dbraw/zinc/27/28/45/764272845.db2.gz RTPMKIXEQNXVIR-JYJNAYRXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001047415455 764274671 /nfs/dbraw/zinc/27/46/71/764274671.db2.gz ZFHYJNZSDCZXAG-BZSNNMDCSA-N 1 1 349.475 0.014 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(=O)NCC3CC3)C2)nn1 ZINC001098763094 764333478 /nfs/dbraw/zinc/33/34/78/764333478.db2.gz URGFBFLYPQMNNM-OAHLLOKOSA-N 1 1 346.435 0.243 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(c4cnc(C#N)cn4)C[C@@]3(C)C2)C1 ZINC001052365424 764340390 /nfs/dbraw/zinc/34/03/90/764340390.db2.gz BYCBIWRQHPIBAG-LBTNJELSSA-N 1 1 340.431 0.585 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(c4ccnc(C#N)n4)C[C@@]3(C)C2)C1 ZINC001052365355 764340734 /nfs/dbraw/zinc/34/07/34/764340734.db2.gz AEZRUKBNSSSODU-LBTNJELSSA-N 1 1 340.431 0.585 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052379568 764368462 /nfs/dbraw/zinc/36/84/62/764368462.db2.gz PACXRIUAMAXRRA-LSDHHAIUSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(=O)[C@H](C)CC)C2)nn1 ZINC001098784909 768210698 /nfs/dbraw/zinc/21/06/98/768210698.db2.gz MPUWOVNZZUKZKD-HIFRSBDPSA-N 1 1 348.451 0.489 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001052393980 764407272 /nfs/dbraw/zinc/40/72/72/764407272.db2.gz SMWRTLOKRNPPBZ-LLVKDONJSA-N 1 1 340.815 0.100 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@@H]2C)nn1 ZINC001088906942 764419592 /nfs/dbraw/zinc/41/95/92/764419592.db2.gz SNKZDQRGLVWHEZ-OCCSQVGLSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@@H]2C)nn1 ZINC001088906942 764419597 /nfs/dbraw/zinc/41/95/97/764419597.db2.gz SNKZDQRGLVWHEZ-OCCSQVGLSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cncn3C)[C@@H]2C)nn1 ZINC001088911021 764428526 /nfs/dbraw/zinc/42/85/26/764428526.db2.gz VAERPMNPFRYWFH-HIFRSBDPSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cncn3C)[C@@H]2C)nn1 ZINC001088911021 764428531 /nfs/dbraw/zinc/42/85/31/764428531.db2.gz VAERPMNPFRYWFH-HIFRSBDPSA-N 1 1 343.435 0.981 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1C ZINC001088913336 764429882 /nfs/dbraw/zinc/42/98/82/764429882.db2.gz RBCCBMSWKPQMSH-RDBSUJKOSA-N 1 1 329.466 0.566 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001047469431 764431542 /nfs/dbraw/zinc/43/15/42/764431542.db2.gz UIJYVXOBPYGZBY-KBPBESRZSA-N 1 1 341.415 0.661 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ocnc2C(F)(F)F)C1 ZINC001047470742 764435117 /nfs/dbraw/zinc/43/51/17/764435117.db2.gz YCPVUMMZSBBYDI-UWVGGRQHSA-N 1 1 331.294 0.834 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ocnc2C(F)(F)F)C1 ZINC001047470742 764435123 /nfs/dbraw/zinc/43/51/23/764435123.db2.gz YCPVUMMZSBBYDI-UWVGGRQHSA-N 1 1 331.294 0.834 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CCCC)C1 ZINC001047471188 764437785 /nfs/dbraw/zinc/43/77/85/764437785.db2.gz KBCXHEPQFVOHTL-BBWFWOEESA-N 1 1 339.480 0.567 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cncc(OC)n1 ZINC001089873098 764460987 /nfs/dbraw/zinc/46/09/87/764460987.db2.gz ODGDHFNYAJCOHI-FQLMCAECSA-N 1 1 326.400 0.901 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)CNC(=O)C1 ZINC001015374489 764470468 /nfs/dbraw/zinc/47/04/68/764470468.db2.gz DBVYPKCOGVZOFE-LPHOPBHVSA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CNC(=O)C1 ZINC001015374489 764470472 /nfs/dbraw/zinc/47/04/72/764470472.db2.gz DBVYPKCOGVZOFE-LPHOPBHVSA-N 1 1 325.412 0.755 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2O)cc1 ZINC001047480790 764471596 /nfs/dbraw/zinc/47/15/96/764471596.db2.gz RTEFPNRADXETLJ-COXVUDFISA-N 1 1 343.427 0.262 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2O)cc1 ZINC001047480790 764471602 /nfs/dbraw/zinc/47/16/02/764471602.db2.gz RTEFPNRADXETLJ-COXVUDFISA-N 1 1 343.427 0.262 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001052430571 764481867 /nfs/dbraw/zinc/48/18/67/764481867.db2.gz TWHSXTSRKRZTNY-AWEZNQCLSA-N 1 1 327.450 0.016 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001047484318 764483728 /nfs/dbraw/zinc/48/37/28/764483728.db2.gz RVDNQHXPXFYZKW-MELADBBJSA-N 1 1 333.388 0.667 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cccnn3)[C@H]2C)C1=O ZINC001088935273 764518026 /nfs/dbraw/zinc/51/80/26/764518026.db2.gz XKWVLJDJQDDSRS-IPYPFGDCSA-N 1 1 329.404 0.456 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cccnn3)[C@H]2C)C1=O ZINC001088935273 764518032 /nfs/dbraw/zinc/51/80/32/764518032.db2.gz XKWVLJDJQDDSRS-IPYPFGDCSA-N 1 1 329.404 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nonc2C)CC1 ZINC001052457715 764540880 /nfs/dbraw/zinc/54/08/80/764540880.db2.gz UMFKCDSUPFIFAT-RDJZCZTQSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nonc2C)CC1 ZINC001052457715 764540889 /nfs/dbraw/zinc/54/08/89/764540889.db2.gz UMFKCDSUPFIFAT-RDJZCZTQSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001052457479 764541059 /nfs/dbraw/zinc/54/10/59/764541059.db2.gz RVEBVUYJHXLFBW-HOTGVXAUSA-N 1 1 334.464 0.143 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083780859 764543772 /nfs/dbraw/zinc/54/37/72/764543772.db2.gz MXGGOWKZBDGYOW-UHOSZYNNSA-N 1 1 341.455 0.541 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC001052458537 764543965 /nfs/dbraw/zinc/54/39/65/764543965.db2.gz DMGLGCBUVBYHNH-MSOLQXFVSA-N 1 1 343.475 0.951 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)CNC(N)=O)c1ccccc1O2 ZINC001111528886 764546421 /nfs/dbraw/zinc/54/64/21/764546421.db2.gz ANZJDIQYRZAABB-KBXCAEBGSA-N 1 1 342.399 0.372 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)c1 ZINC001047521155 764578994 /nfs/dbraw/zinc/57/89/94/764578994.db2.gz MCSNYWAESZTISG-SQNIBIBYSA-N 1 1 343.427 0.749 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001052491340 764609734 /nfs/dbraw/zinc/60/97/34/764609734.db2.gz BXPCTLFNNOWPNE-OAHLLOKOSA-N 1 1 338.473 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001052502567 764631452 /nfs/dbraw/zinc/63/14/52/764631452.db2.gz MNWCPALMLIHOFI-CYBMUJFWSA-N 1 1 339.417 0.535 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC001047546159 764653565 /nfs/dbraw/zinc/65/35/65/764653565.db2.gz XESQLSDJIIKFGN-HOTGVXAUSA-N 1 1 344.415 0.822 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](n3cc(CNCC#N)nn3)C2)C1 ZINC001098768517 764662661 /nfs/dbraw/zinc/66/26/61/764662661.db2.gz UHKQUPKWBKRKFD-ZFWWWQNUSA-N 1 1 331.424 0.006 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC1 ZINC001052516278 764666820 /nfs/dbraw/zinc/66/68/20/764666820.db2.gz MIVDLMHLSPCOAA-CQSZACIVSA-N 1 1 342.403 0.927 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCS(=O)(=O)NC ZINC001099070585 764668914 /nfs/dbraw/zinc/66/89/14/764668914.db2.gz ZVVJVYKRKGWBIP-ZDUSSCGKSA-N 1 1 329.466 0.166 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC001088978809 764680936 /nfs/dbraw/zinc/68/09/36/764680936.db2.gz FHVITZYJBTZWTP-NEPJUHHUSA-N 1 1 330.392 0.576 20 30 ECEDMO C=C(Cl)CN1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]1C ZINC001088977521 764684446 /nfs/dbraw/zinc/68/44/46/764684446.db2.gz DAUIWNPSBYDHEF-BDAKNGLRSA-N 1 1 342.783 0.842 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C2CCOCC2)C1 ZINC001047557448 764688214 /nfs/dbraw/zinc/68/82/14/764688214.db2.gz XBAZWCHUIOMOBU-HOTGVXAUSA-N 1 1 334.420 0.538 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C2CCOCC2)C1 ZINC001047557448 764688217 /nfs/dbraw/zinc/68/82/17/764688217.db2.gz XBAZWCHUIOMOBU-HOTGVXAUSA-N 1 1 334.420 0.538 20 30 ECEDMO Cc1c[nH]c(C(=O)N(C)[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n1 ZINC001047558372 764691639 /nfs/dbraw/zinc/69/16/39/764691639.db2.gz NFNCENMUWRBICD-HOTGVXAUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1c[nH]c(C(=O)N(C)[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n1 ZINC001047558372 764691644 /nfs/dbraw/zinc/69/16/44/764691644.db2.gz NFNCENMUWRBICD-HOTGVXAUSA-N 1 1 339.399 0.907 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001052526518 764692966 /nfs/dbraw/zinc/69/29/66/764692966.db2.gz FMHHQJMEFNOBNJ-GFCCVEGCSA-N 1 1 339.417 0.535 20 30 ECEDMO C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047559448 764693749 /nfs/dbraw/zinc/69/37/49/764693749.db2.gz UCEHBBDBPPITHF-HOTGVXAUSA-N 1 1 335.452 0.138 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H](C)C(C)C)C1 ZINC001041994264 782569520 /nfs/dbraw/zinc/56/95/20/782569520.db2.gz LMOHGPUQXIGWIT-HOTGVXAUSA-N 1 1 349.475 0.456 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001052563373 764766519 /nfs/dbraw/zinc/76/65/19/764766519.db2.gz QEWRZSOWUCXLKI-HNNXBMFYSA-N 1 1 341.477 0.406 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)cc1C#N ZINC001032137837 764790558 /nfs/dbraw/zinc/79/05/58/764790558.db2.gz BNCFBBVYODWRMR-HNNXBMFYSA-N 1 1 342.399 0.393 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC)c2C2CC2)C1 ZINC001047589598 764795998 /nfs/dbraw/zinc/79/59/98/764795998.db2.gz MGQTXTJVLRDYHA-HOTGVXAUSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3nccs3)c2)C1 ZINC001047590759 764801052 /nfs/dbraw/zinc/80/10/52/764801052.db2.gz IXPLWPHAZIAQPU-KBPBESRZSA-N 1 1 345.428 0.469 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)CC1 ZINC001052589542 764810208 /nfs/dbraw/zinc/81/02/08/764810208.db2.gz KGXNEPGYGDUSAM-GJZGRUSLSA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001047599956 764839764 /nfs/dbraw/zinc/83/97/64/764839764.db2.gz IFRCRLXIINSYJU-IRXDYDNUSA-N 1 1 343.427 0.529 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+](CC(=C)C)C[C@@H]1O ZINC001047601838 764844606 /nfs/dbraw/zinc/84/46/06/764844606.db2.gz NKAUTBSZTYETRI-HOTGVXAUSA-N 1 1 329.400 0.787 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047601887 764846197 /nfs/dbraw/zinc/84/61/97/764846197.db2.gz PRGGQTLHJFNANB-HOTGVXAUSA-N 1 1 329.400 0.621 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)nc1 ZINC001047601915 764846633 /nfs/dbraw/zinc/84/66/33/764846633.db2.gz PVFSOMFGVRWJOY-XIRDDKMYSA-N 1 1 329.400 0.217 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H](C)C(C)C)C1 ZINC001041994264 782569528 /nfs/dbraw/zinc/56/95/28/782569528.db2.gz LMOHGPUQXIGWIT-HOTGVXAUSA-N 1 1 349.475 0.456 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001047618823 764898830 /nfs/dbraw/zinc/89/88/30/764898830.db2.gz QHTVOWJXNYPVEX-ZQIUZPCESA-N 1 1 330.384 0.353 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001047618823 764898839 /nfs/dbraw/zinc/89/88/39/764898839.db2.gz QHTVOWJXNYPVEX-ZQIUZPCESA-N 1 1 330.384 0.353 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001047621709 764905459 /nfs/dbraw/zinc/90/54/59/764905459.db2.gz YEULQSADZBVTAT-HOTGVXAUSA-N 1 1 346.431 0.548 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1=O ZINC001015544346 764921354 /nfs/dbraw/zinc/92/13/54/764921354.db2.gz DROQXFVVFYHLCP-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3cn(C)nn3)CC2)c1 ZINC001052694956 764998691 /nfs/dbraw/zinc/99/86/91/764998691.db2.gz CWJLIYYIDXGOSF-INIZCTEOSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3cn(C)nn3)CC2)c1 ZINC001052694956 764998696 /nfs/dbraw/zinc/99/86/96/764998696.db2.gz CWJLIYYIDXGOSF-INIZCTEOSA-N 1 1 338.415 0.976 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001052708064 765020795 /nfs/dbraw/zinc/02/07/95/765020795.db2.gz RTVAOOHUFGKKRH-FRRDWIJNSA-N 1 1 329.828 0.743 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@H]12 ZINC000991975208 765022466 /nfs/dbraw/zinc/02/24/66/765022466.db2.gz OPSCMAASUJYDSE-RLFYNMQTSA-N 1 1 341.415 0.502 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001052730607 765050358 /nfs/dbraw/zinc/05/03/58/765050358.db2.gz BETCNDZKRCRBDV-CABCVRRESA-N 1 1 330.436 0.620 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3c[nH]cn3)CC2)C1=O ZINC001052749724 765064093 /nfs/dbraw/zinc/06/40/93/765064093.db2.gz ZLSQRXSBTPKKLO-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cc4c(=O)[nH]c(C)cn4n3)CCC[C@H]12 ZINC000991990765 765082784 /nfs/dbraw/zinc/08/27/84/765082784.db2.gz ABIYPNXTHHQLMJ-YJBOKZPZSA-N 1 1 339.399 0.691 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC001052771425 765092696 /nfs/dbraw/zinc/09/26/96/765092696.db2.gz KYYIIINJLFEBRD-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000991994377 765093388 /nfs/dbraw/zinc/09/33/88/765093388.db2.gz SCPLEEIMQYBDOI-VMBOVVBDSA-N 1 1 340.427 0.782 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001052785695 765117658 /nfs/dbraw/zinc/11/76/58/765117658.db2.gz KWFVRNZCCUXLBG-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(CC=C)C3=O)C2)c1 ZINC001015679297 765149923 /nfs/dbraw/zinc/14/99/23/765149923.db2.gz YSVARYLDTMUPRH-IRXDYDNUSA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(CC=C)C3=O)C2)c1 ZINC001015679297 765149927 /nfs/dbraw/zinc/14/99/27/765149927.db2.gz YSVARYLDTMUPRH-IRXDYDNUSA-N 1 1 338.411 0.654 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001015724199 765241702 /nfs/dbraw/zinc/24/17/02/765241702.db2.gz POVRULJRZJGVOV-KBPBESRZSA-N 1 1 331.420 0.618 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001015724199 765241706 /nfs/dbraw/zinc/24/17/06/765241706.db2.gz POVRULJRZJGVOV-KBPBESRZSA-N 1 1 331.420 0.618 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001052864173 765249126 /nfs/dbraw/zinc/24/91/26/765249126.db2.gz BJJRCIBYAYFAPK-CYBMUJFWSA-N 1 1 344.419 0.968 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001052864233 765249285 /nfs/dbraw/zinc/24/92/85/765249285.db2.gz CMNNAJOVMPGPAY-NSHDSACASA-N 1 1 334.376 0.504 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)nc1 ZINC001052875091 765275769 /nfs/dbraw/zinc/27/57/69/765275769.db2.gz LPXGOEURFCYWBU-DOTOQJQBSA-N 1 1 340.427 0.926 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCc3ccns3)C2)nn1 ZINC001015810425 765368349 /nfs/dbraw/zinc/36/83/49/765368349.db2.gz IOZGQRAVNHVKQD-GFCCVEGCSA-N 1 1 332.433 0.967 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000992074803 765385106 /nfs/dbraw/zinc/38/51/06/765385106.db2.gz NIUDTQFHSQQLAN-CABCVRRESA-N 1 1 332.404 0.500 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001052946570 765401960 /nfs/dbraw/zinc/40/19/60/765401960.db2.gz VYWMMSZIHOPUIH-UONOGXRCSA-N 1 1 329.466 0.615 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCC(=O)N3)C2)cc1 ZINC001015834805 765404329 /nfs/dbraw/zinc/40/43/29/765404329.db2.gz LRXMLBUVJBDMCN-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001052989145 765467207 /nfs/dbraw/zinc/46/72/07/765467207.db2.gz ZPPRWVRZTJXQNK-UKRRQHHQSA-N 1 1 334.420 0.605 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC001053007930 765480715 /nfs/dbraw/zinc/48/07/15/765480715.db2.gz OJLDLMKLQUKPHD-HOTGVXAUSA-N 1 1 330.436 0.647 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000992119646 765550730 /nfs/dbraw/zinc/55/07/30/765550730.db2.gz CNUOGNKSHZATAV-ROKHWSDSSA-N 1 1 346.435 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001053093656 765569563 /nfs/dbraw/zinc/56/95/63/765569563.db2.gz PGVQBYZSUDSJNZ-DLBZAZTESA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cnnn2)C1 ZINC001053102998 765581288 /nfs/dbraw/zinc/58/12/88/765581288.db2.gz YRQHGBGISRPKDE-JKSUJKDBSA-N 1 1 330.436 0.790 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(C)csc3n2)C1 ZINC001077497009 765681248 /nfs/dbraw/zinc/68/12/48/765681248.db2.gz ANYYKHSLIQZROE-ZIAGYGMSSA-N 1 1 332.429 0.431 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1ccnc(C#N)n1 ZINC001106444989 768313236 /nfs/dbraw/zinc/31/32/36/768313236.db2.gz GJSPMSCAKUXFSA-UONOGXRCSA-N 1 1 330.436 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)cn1 ZINC001016016400 765723154 /nfs/dbraw/zinc/72/31/54/765723154.db2.gz LGKFVCZGJWBWMU-DLBZAZTESA-N 1 1 339.399 0.125 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)nc1 ZINC001016026469 765730027 /nfs/dbraw/zinc/73/00/27/765730027.db2.gz HOHWRPYLLOBBBM-HUUCEWRRSA-N 1 1 336.399 0.646 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001016034938 765735782 /nfs/dbraw/zinc/73/57/82/765735782.db2.gz RVDPHSFMZQBEGD-BLLLJJGKSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001016034938 765735788 /nfs/dbraw/zinc/73/57/88/765735788.db2.gz RVDPHSFMZQBEGD-BLLLJJGKSA-N 1 1 326.400 0.534 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12 ZINC000992168221 765739880 /nfs/dbraw/zinc/73/98/80/765739880.db2.gz CVTYUAINBSKFEL-FSZRXZPDSA-N 1 1 333.432 0.369 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn4cc[nH]c34)C2)C1=O ZINC001016107319 765789417 /nfs/dbraw/zinc/78/94/17/765789417.db2.gz DWFNSBUYYKSIBJ-GXTWGEPZSA-N 1 1 342.403 0.253 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn4cc[nH]c34)C2)C1=O ZINC001016107319 765789422 /nfs/dbraw/zinc/78/94/22/765789422.db2.gz DWFNSBUYYKSIBJ-GXTWGEPZSA-N 1 1 342.403 0.253 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H](O)CNc1ccncc1C#N)CC(C)(C)C ZINC001106107752 765837193 /nfs/dbraw/zinc/83/71/93/765837193.db2.gz DBDOUUZSBSRIJM-AWEZNQCLSA-N 1 1 333.436 0.242 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106108149 765838340 /nfs/dbraw/zinc/83/83/40/765838340.db2.gz GJYXZCACZPBZCE-AAEUAGOBSA-N 1 1 335.383 0.466 20 30 ECEDMO Cn1nc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)ccc1=O ZINC001016182853 765878043 /nfs/dbraw/zinc/87/80/43/765878043.db2.gz WJTKDRJNCAGIDQ-HNNXBMFYSA-N 1 1 337.383 0.656 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cnns2)C1 ZINC000992208296 765900422 /nfs/dbraw/zinc/90/04/22/765900422.db2.gz OWYOCTXAYDJWBG-BPCQOVAHSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cnns2)C1 ZINC000992208296 765900424 /nfs/dbraw/zinc/90/04/24/765900424.db2.gz OWYOCTXAYDJWBG-BPCQOVAHSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CCO2 ZINC001053284917 765904228 /nfs/dbraw/zinc/90/42/28/765904228.db2.gz GVBBOAGMGVHBQP-QGZVFWFLSA-N 1 1 333.476 0.901 20 30 ECEDMO C=C(C)CCN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC001053304871 765940659 /nfs/dbraw/zinc/94/06/59/765940659.db2.gz SCLUTUCBKLBMHF-HZPDHXFCSA-N 1 1 337.464 0.585 20 30 ECEDMO C=C(C)CCN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC001053304871 765940663 /nfs/dbraw/zinc/94/06/63/765940663.db2.gz SCLUTUCBKLBMHF-HZPDHXFCSA-N 1 1 337.464 0.585 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CCNc1ccnc(C#N)n1 ZINC001053386212 766064403 /nfs/dbraw/zinc/06/44/03/766064403.db2.gz JGHKJNZZUNFFDH-RBSFLKMASA-N 1 1 342.447 0.618 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)[C@@H](O)C1 ZINC001083730005 768346475 /nfs/dbraw/zinc/34/64/75/768346475.db2.gz LFEMAFZPRJFCOU-XYPHTWIQSA-N 1 1 332.448 0.968 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(CC#Cc3ccccc3)C2)C1 ZINC001016307721 766088081 /nfs/dbraw/zinc/08/80/81/766088081.db2.gz VZXNYILDGCRGTC-MOPGFXCFSA-N 1 1 341.455 0.949 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(CC#Cc3ccccc3)C2)C1 ZINC001016307721 766088087 /nfs/dbraw/zinc/08/80/87/766088087.db2.gz VZXNYILDGCRGTC-MOPGFXCFSA-N 1 1 341.455 0.949 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)[C@@H](O)C1 ZINC001083684400 766088475 /nfs/dbraw/zinc/08/84/75/766088475.db2.gz UIWBOOQJGBRWMA-BMFZPTHFSA-N 1 1 329.400 0.850 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)[C@@H](O)C1 ZINC001083730384 768347152 /nfs/dbraw/zinc/34/71/52/768347152.db2.gz XWKBLPSUEAHIIM-XPKDYRNWSA-N 1 1 333.436 0.048 20 30 ECEDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)C(N)=O)cc1C#N ZINC001089222252 766100989 /nfs/dbraw/zinc/10/09/89/766100989.db2.gz YTNJMYJDCROBTL-HNNXBMFYSA-N 1 1 344.415 0.865 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cn(C)c(=O)n(C)c3=O)CCC[C@@H]12 ZINC000992267997 766105911 /nfs/dbraw/zinc/10/59/11/766105911.db2.gz HWPFKVVWAXLMLL-KDOFPFPSSA-N 1 1 346.431 0.387 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)CCO2 ZINC001053429394 766118236 /nfs/dbraw/zinc/11/82/36/766118236.db2.gz OLXYFCSJBNFZOO-ZDUSSCGKSA-N 1 1 327.856 0.994 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001053436010 766128212 /nfs/dbraw/zinc/12/82/12/766128212.db2.gz CJSVBPDUUOBFLN-HUUCEWRRSA-N 1 1 325.453 0.742 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)C3CCS(=O)(=O)CC3)CCC[C@H]12 ZINC000992275960 766128399 /nfs/dbraw/zinc/12/83/99/766128399.db2.gz UXKVLMCVUZJDLZ-RDJZCZTQSA-N 1 1 338.473 0.948 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN([C@H](C)c3n[nH]c(C)n3)C2)CC1 ZINC001016338398 766147065 /nfs/dbraw/zinc/14/70/65/766147065.db2.gz ZWXKRWINQKKWKU-CJNGLKHVSA-N 1 1 344.463 0.710 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)[C@@H](O)C1 ZINC001083685606 766174176 /nfs/dbraw/zinc/17/41/76/766174176.db2.gz BYGRCRCQEURTIL-CABCVRRESA-N 1 1 329.404 0.628 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)[C@@H](O)C1 ZINC001083685606 766174178 /nfs/dbraw/zinc/17/41/78/766174178.db2.gz BYGRCRCQEURTIL-CABCVRRESA-N 1 1 329.404 0.628 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccc(=O)n(CC)n1)CCO2 ZINC001053474113 766193364 /nfs/dbraw/zinc/19/33/64/766193364.db2.gz DKYYYYVLUGBPIH-UHFFFAOYSA-N 1 1 346.431 0.756 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCN(C)S3(=O)=O)CCC[C@H]12 ZINC000992305610 766221040 /nfs/dbraw/zinc/22/10/40/766221040.db2.gz DESXNSBXLBLMNH-IJEWVQPXSA-N 1 1 339.461 0.157 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCN(C)S3(=O)=O)CCC[C@H]12 ZINC000992314558 766247932 /nfs/dbraw/zinc/24/79/32/766247932.db2.gz UITBBQUFJPDBKO-IJEWVQPXSA-N 1 1 341.477 0.710 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cn4nc(C)cc4[nH]c3=O)CCC[C@@H]12 ZINC000992324456 766279579 /nfs/dbraw/zinc/27/95/79/766279579.db2.gz ZDEFPYJRQJKGIB-KDOFPFPSSA-N 1 1 339.399 0.691 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)CCO2 ZINC001053548577 766315207 /nfs/dbraw/zinc/31/52/07/766315207.db2.gz DLGPSVQJKLOPTH-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001031648407 766336272 /nfs/dbraw/zinc/33/62/72/766336272.db2.gz ZNEKAUFRBBOMHX-AWEZNQCLSA-N 1 1 344.371 0.223 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC(=O)N(C(C)C)C1)O2 ZINC001053604474 766413961 /nfs/dbraw/zinc/41/39/61/766413961.db2.gz HCIKTIQUHSUMAL-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1)O2 ZINC001053604473 766414260 /nfs/dbraw/zinc/41/42/60/766414260.db2.gz HCIKTIQUHSUMAL-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)C1 ZINC001053607519 766422988 /nfs/dbraw/zinc/42/29/88/766422988.db2.gz YEZGDPUBZUMDNW-HZPDHXFCSA-N 1 1 334.464 0.837 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@H]12 ZINC000992396630 766472978 /nfs/dbraw/zinc/47/29/78/766472978.db2.gz MZCOLKAKXANSMK-GTNSWQLSSA-N 1 1 346.387 0.647 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ncc(OC)cn1)O2 ZINC001053630105 766477465 /nfs/dbraw/zinc/47/74/65/766477465.db2.gz GVKMKOUJOGVYIO-CYBMUJFWSA-N 1 1 330.388 0.472 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H](C)C(N)=O)CC3)cn1 ZINC000992407159 766504926 /nfs/dbraw/zinc/50/49/26/766504926.db2.gz JQSAKZWXCCIGPA-PNPHSEOMSA-N 1 1 326.400 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@@H](C)C(N)=O)CC3)cn1 ZINC000992407159 766504931 /nfs/dbraw/zinc/50/49/31/766504931.db2.gz JQSAKZWXCCIGPA-PNPHSEOMSA-N 1 1 326.400 0.664 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001045943005 766513809 /nfs/dbraw/zinc/51/38/09/766513809.db2.gz DXFLTLIZGKVUEJ-HKUYNNGSSA-N 1 1 333.476 0.781 20 30 ECEDMO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)O2 ZINC001053654607 766520841 /nfs/dbraw/zinc/52/08/41/766520841.db2.gz RBSZZWGUZNIRKL-DOTOQJQBSA-N 1 1 342.443 0.737 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccoc1CC(N)=O)O2 ZINC001053654815 766522182 /nfs/dbraw/zinc/52/21/82/766522182.db2.gz WZMIFLWKFDXZNG-CYBMUJFWSA-N 1 1 345.399 0.294 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)ccc3=O)CCC[C@H]12 ZINC000992418568 766529049 /nfs/dbraw/zinc/52/90/49/766529049.db2.gz CVIJBLWRVDWFFP-YJBOKZPZSA-N 1 1 328.416 0.688 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001045957353 766529435 /nfs/dbraw/zinc/52/94/35/766529435.db2.gz ZZVYDSCULSXBGA-LJQANCHMSA-N 1 1 346.475 0.146 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@@H](C)C(=O)NC)CC3)nc1 ZINC000992422485 766533019 /nfs/dbraw/zinc/53/30/19/766533019.db2.gz OHMUBWMJDJKCJJ-CRFBAAHOSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cnccc1=O)C2 ZINC001045975834 766546470 /nfs/dbraw/zinc/54/64/70/766546470.db2.gz KDZCBHZWTNMCBP-IBGZPJMESA-N 1 1 342.443 0.971 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)Cn3nc4n(c3=O)CCCC4)CCC[C@@H]12 ZINC000992428834 766549704 /nfs/dbraw/zinc/54/97/04/766549704.db2.gz NEQORZNYZRATJY-RDTXWAMCSA-N 1 1 345.447 0.680 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001045979088 766550526 /nfs/dbraw/zinc/55/05/26/766550526.db2.gz PBSZHIUOQBGNTM-GOSISDBHSA-N 1 1 348.447 0.819 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001045988701 766563480 /nfs/dbraw/zinc/56/34/80/766563480.db2.gz UMIJTAVYHWUEFT-KBXCAEBGSA-N 1 1 333.432 0.930 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1OC ZINC001212257455 766590146 /nfs/dbraw/zinc/59/01/46/766590146.db2.gz CHQVQMFCQVGFNX-IAGOWNOFSA-N 1 1 340.464 0.904 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3c[nH]nc3C1)O2 ZINC001053700471 766619626 /nfs/dbraw/zinc/61/96/26/766619626.db2.gz VXJZKSRBPAXGJP-GOEBONIOSA-N 1 1 342.443 0.888 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nn(CC)nc1C)O2 ZINC001053704295 766629232 /nfs/dbraw/zinc/62/92/32/766629232.db2.gz YDCQDEGPZYPRFS-AWEZNQCLSA-N 1 1 331.420 0.593 20 30 ECEDMO CCn1nncc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011572 766635681 /nfs/dbraw/zinc/63/56/81/766635681.db2.gz FCHYRJQVWURLBY-CABCVRRESA-N 1 1 345.451 0.176 20 30 ECEDMO CCn1nncc1C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011572 766635683 /nfs/dbraw/zinc/63/56/83/766635683.db2.gz FCHYRJQVWURLBY-CABCVRRESA-N 1 1 345.451 0.176 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](CCc3ccnn3C)C2)CC1 ZINC001046012823 766640634 /nfs/dbraw/zinc/64/06/34/766640634.db2.gz QICUJENGXUBERX-WBVHZDCISA-N 1 1 344.463 0.341 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)C3CCN(C(N)=O)CC3)CCC[C@@H]12 ZINC000992466721 766643285 /nfs/dbraw/zinc/64/32/85/766643285.db2.gz SLGGJXDBGGVEFW-CRAIPNDOSA-N 1 1 332.448 0.914 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nccnc3N)CC2)C1 ZINC001046013644 766643761 /nfs/dbraw/zinc/64/37/61/766643761.db2.gz GEKCEQINUSKCHT-CQSZACIVSA-N 1 1 330.436 0.467 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046021192 766666206 /nfs/dbraw/zinc/66/62/06/766666206.db2.gz CKSQECQKGWPJQT-KRWDZBQOSA-N 1 1 325.416 0.742 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)no3)CC2)C1 ZINC001046023876 766673948 /nfs/dbraw/zinc/67/39/48/766673948.db2.gz YSIDKGWTYDKWLW-AWEZNQCLSA-N 1 1 332.404 0.539 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)cn1 ZINC001046027496 766687399 /nfs/dbraw/zinc/68/73/99/766687399.db2.gz NVLGCUCEWIOUOP-GOSISDBHSA-N 1 1 341.459 0.552 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3ncc[nH]3)CC2)C1 ZINC001046027872 766688453 /nfs/dbraw/zinc/68/84/53/766688453.db2.gz PURFCSCUUDFLBE-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nccn3CC)CC2)C1 ZINC001046028578 766692022 /nfs/dbraw/zinc/69/20/22/766692022.db2.gz UULGECMDQJDAKY-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO O=C(C#CC1CC1)N1CCN([C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001046028997 766693084 /nfs/dbraw/zinc/69/30/84/766693084.db2.gz KKRUEBPQJNXOCG-MSOLQXFVSA-N 1 1 331.460 0.655 20 30 ECEDMO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089625227 766696234 /nfs/dbraw/zinc/69/62/34/766696234.db2.gz PMPPYLLDQZZHCF-CHWSQXEVSA-N 1 1 332.408 0.010 20 30 ECEDMO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089625227 766696238 /nfs/dbraw/zinc/69/62/38/766696238.db2.gz PMPPYLLDQZZHCF-CHWSQXEVSA-N 1 1 332.408 0.010 20 30 ECEDMO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089625207 766696511 /nfs/dbraw/zinc/69/65/11/766696511.db2.gz ONWIMDCNHWPFBL-TZMCWYRMSA-N 1 1 332.408 0.010 20 30 ECEDMO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089625207 766696515 /nfs/dbraw/zinc/69/65/15/766696515.db2.gz ONWIMDCNHWPFBL-TZMCWYRMSA-N 1 1 332.408 0.010 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046030464 766698497 /nfs/dbraw/zinc/69/84/97/766698497.db2.gz RVEDQJSZNKKSGA-BBWFWOEESA-N 1 1 337.464 0.178 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccns2)C1 ZINC001016670890 766700216 /nfs/dbraw/zinc/70/02/16/766700216.db2.gz VSKUIMGABLBYSC-RUXDESIVSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccns2)C1 ZINC001016670890 766700220 /nfs/dbraw/zinc/70/02/20/766700220.db2.gz VSKUIMGABLBYSC-RUXDESIVSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2ccco2)C1 ZINC000994752301 766701434 /nfs/dbraw/zinc/70/14/34/766701434.db2.gz RBCSYZFMHUTKIW-INIZCTEOSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2ccco2)C1 ZINC000994752301 766701442 /nfs/dbraw/zinc/70/14/42/766701442.db2.gz RBCSYZFMHUTKIW-INIZCTEOSA-N 1 1 329.400 0.637 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cncc(C(N)=O)c3)CCC[C@@H]12 ZINC000992490457 766701444 /nfs/dbraw/zinc/70/14/44/766701444.db2.gz DJJOQACCWDEXPC-QAPCUYQASA-N 1 1 326.400 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)c3ccnn3C)CC2)C1 ZINC001046031610 766701679 /nfs/dbraw/zinc/70/16/79/766701679.db2.gz RPHZKNCFJXCNHZ-HOTGVXAUSA-N 1 1 329.448 0.375 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccnc2OC)C1 ZINC000994752174 766702040 /nfs/dbraw/zinc/70/20/40/766702040.db2.gz QADOZQHMBRPYRD-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccnc2OC)C1 ZINC000994752174 766702044 /nfs/dbraw/zinc/70/20/44/766702044.db2.gz QADOZQHMBRPYRD-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cccc4n[nH]nc43)CC2)C1 ZINC001046032153 766704725 /nfs/dbraw/zinc/70/47/25/766704725.db2.gz FAMBUDIOPDNMFK-AWEZNQCLSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc4nn[nH]c43)CC2)C1 ZINC001046032153 766704729 /nfs/dbraw/zinc/70/47/29/766704729.db2.gz FAMBUDIOPDNMFK-AWEZNQCLSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cccc4nn[nH]c43)CC2)C1 ZINC001046032153 766704733 /nfs/dbraw/zinc/70/47/33/766704733.db2.gz FAMBUDIOPDNMFK-AWEZNQCLSA-N 1 1 340.431 0.976 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnc(C)s2)C1 ZINC000994750955 766704738 /nfs/dbraw/zinc/70/47/38/766704738.db2.gz JJCCXIWIEYSACR-ZDUSSCGKSA-N 1 1 332.429 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnc(C)s2)C1 ZINC000994750955 766704743 /nfs/dbraw/zinc/70/47/43/766704743.db2.gz JJCCXIWIEYSACR-ZDUSSCGKSA-N 1 1 332.429 0.490 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3C3CC3)CC2)C1 ZINC001046032376 766704994 /nfs/dbraw/zinc/70/49/94/766704994.db2.gz CIVMLJRGOPPTPG-INIZCTEOSA-N 1 1 341.459 0.763 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccn(C)n3)CC2)C1 ZINC001046033483 766709792 /nfs/dbraw/zinc/70/97/92/766709792.db2.gz GNFNJTQMCKESAI-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046035046 766717635 /nfs/dbraw/zinc/71/76/35/766717635.db2.gz CHDIRZGCERSGBL-DLBZAZTESA-N 1 1 348.491 0.697 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nc(CC)c[nH]3)CC2)C1 ZINC001046036155 766726110 /nfs/dbraw/zinc/72/61/10/766726110.db2.gz BHRMVNVDWGJSDC-QGZVFWFLSA-N 1 1 343.475 0.756 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc4n(n3)CCC4)C2)C1=O ZINC001031716746 766731535 /nfs/dbraw/zinc/73/15/35/766731535.db2.gz PCEKEGMOSANWAM-INIZCTEOSA-N 1 1 343.431 0.278 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc4n3CCOC4)CC2)C1 ZINC001046037602 766735691 /nfs/dbraw/zinc/73/56/91/766735691.db2.gz UKSIJWCLHDVSOJ-HNNXBMFYSA-N 1 1 345.447 0.431 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC001046040519 766748184 /nfs/dbraw/zinc/74/81/84/766748184.db2.gz DEJWDGRHNMOMRP-QGZVFWFLSA-N 1 1 346.475 0.241 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2C)C1 ZINC001041999289 782576994 /nfs/dbraw/zinc/57/69/94/782576994.db2.gz WTORAPVFDQAIPT-BMFZPTHFSA-N 1 1 343.431 0.615 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2C)C1 ZINC001041999289 782577002 /nfs/dbraw/zinc/57/70/02/782577002.db2.gz WTORAPVFDQAIPT-BMFZPTHFSA-N 1 1 343.431 0.615 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4c3OCCC4)CC2)C1 ZINC001046041438 766752243 /nfs/dbraw/zinc/75/22/43/766752243.db2.gz JBEGRIVWHPNSKE-OAHLLOKOSA-N 1 1 345.447 0.684 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CN(C)C)on3)CC2)C1 ZINC001046042415 766754759 /nfs/dbraw/zinc/75/47/59/766754759.db2.gz ZLOZNLMZVJRRBD-OAHLLOKOSA-N 1 1 345.447 0.202 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn4c3OCCC4)CC2)C1 ZINC001046042072 766755342 /nfs/dbraw/zinc/75/53/42/766755342.db2.gz RROPOHZHOLPWGY-HNNXBMFYSA-N 1 1 343.431 0.131 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(CC)o2)C1 ZINC000994766167 766755652 /nfs/dbraw/zinc/75/56/52/766755652.db2.gz APGUYWPCTPDNHM-HNNXBMFYSA-N 1 1 329.400 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(CC)o2)C1 ZINC000994766167 766755659 /nfs/dbraw/zinc/75/56/59/766755659.db2.gz APGUYWPCTPDNHM-HNNXBMFYSA-N 1 1 329.400 0.880 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc(OC)c3)CC2)C1 ZINC001046042578 766756265 /nfs/dbraw/zinc/75/62/65/766756265.db2.gz JHLSIFWFCKDWDA-KRWDZBQOSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncc4ccccn43)CC2)C1 ZINC001046043739 766763600 /nfs/dbraw/zinc/76/36/00/766763600.db2.gz LKIOQBPBADCTEN-KRWDZBQOSA-N 1 1 337.427 0.800 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(OC)nc3)CC2)C1 ZINC001046044745 766767190 /nfs/dbraw/zinc/76/71/90/766767190.db2.gz QJCYNSMLRIUAGY-QGZVFWFLSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C23CCC(CC2)C3)C1 ZINC000994771055 766772980 /nfs/dbraw/zinc/77/29/80/766772980.db2.gz VOCQHNPVILGSNK-RCDNUKIMSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C23CCC(CC2)C3)C1 ZINC000994771055 766772988 /nfs/dbraw/zinc/77/29/88/766772988.db2.gz VOCQHNPVILGSNK-RCDNUKIMSA-N 1 1 329.444 0.991 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046048823 766781421 /nfs/dbraw/zinc/78/14/21/766781421.db2.gz DVDUGWNAMPJWCB-HOTGVXAUSA-N 1 1 348.491 0.696 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046050140 766785872 /nfs/dbraw/zinc/78/58/72/766785872.db2.gz FTJAPSZZFXRKPI-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001089645939 766801851 /nfs/dbraw/zinc/80/18/51/766801851.db2.gz DSIYAFBQEQWADY-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046059759 766824156 /nfs/dbraw/zinc/82/41/56/766824156.db2.gz OHOILJNCKOUNDX-IAGOWNOFSA-N 1 1 346.475 0.287 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046060140 766825354 /nfs/dbraw/zinc/82/53/54/766825354.db2.gz WEBZCZOLKCZRPL-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1 ZINC001046060503 766826014 /nfs/dbraw/zinc/82/60/14/766826014.db2.gz DEHJPRLCWHYENT-AWEZNQCLSA-N 1 1 333.436 0.534 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001046060503 766826021 /nfs/dbraw/zinc/82/60/21/766826021.db2.gz DEHJPRLCWHYENT-AWEZNQCLSA-N 1 1 333.436 0.534 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001046060503 766826031 /nfs/dbraw/zinc/82/60/31/766826031.db2.gz DEHJPRLCWHYENT-AWEZNQCLSA-N 1 1 333.436 0.534 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001046062057 766831322 /nfs/dbraw/zinc/83/13/22/766831322.db2.gz AQXASIDPTTYFLT-IKGGRYGDSA-N 1 1 348.491 0.683 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)cc3C)CC2)C1 ZINC001046061911 766831622 /nfs/dbraw/zinc/83/16/22/766831622.db2.gz RJKLTBZEXLHLPR-INIZCTEOSA-N 1 1 342.443 0.951 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001046062088 766832173 /nfs/dbraw/zinc/83/21/73/766832173.db2.gz AYOIBBGHEBCBTO-IXDOHACOSA-N 1 1 348.491 0.683 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC001046064262 766841175 /nfs/dbraw/zinc/84/11/75/766841175.db2.gz JGTAZHYSTHUWRU-AWEZNQCLSA-N 1 1 345.447 0.522 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3Cc4ccncc4C3)CC2)C1 ZINC001046064705 766844549 /nfs/dbraw/zinc/84/45/49/766844549.db2.gz RYJYADCRJBMEOE-HKUYNNGSSA-N 1 1 338.455 0.648 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC001046067760 766860958 /nfs/dbraw/zinc/86/09/58/766860958.db2.gz VPRJFSPWGQLMOM-MLHJIOFPSA-N 1 1 331.460 0.796 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046070447 766874716 /nfs/dbraw/zinc/87/47/16/766874716.db2.gz VOLXGPTWKQIHNH-FUHWJXTLSA-N 1 1 343.475 0.830 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046070447 766874727 /nfs/dbraw/zinc/87/47/27/766874727.db2.gz VOLXGPTWKQIHNH-FUHWJXTLSA-N 1 1 343.475 0.830 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046070447 766874734 /nfs/dbraw/zinc/87/47/34/766874734.db2.gz VOLXGPTWKQIHNH-FUHWJXTLSA-N 1 1 343.475 0.830 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC001046076300 766902986 /nfs/dbraw/zinc/90/29/86/766902986.db2.gz DGGJQMRFVJURKF-INIZCTEOSA-N 1 1 343.431 0.341 20 30 ECEDMO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001089654683 766908107 /nfs/dbraw/zinc/90/81/07/766908107.db2.gz QREJFOIUGHYWNP-UKRRQHHQSA-N 1 1 346.435 0.400 20 30 ECEDMO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001089654683 766908112 /nfs/dbraw/zinc/90/81/12/766908112.db2.gz QREJFOIUGHYWNP-UKRRQHHQSA-N 1 1 346.435 0.400 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C#C)cn3)CC2)C1 ZINC001046078435 766910829 /nfs/dbraw/zinc/91/08/29/766910829.db2.gz XLLVTOWJPZYZMP-SFHVURJKSA-N 1 1 336.439 0.918 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1nnn(C(C)(C)C)n1)CO2 ZINC001053814649 766911767 /nfs/dbraw/zinc/91/17/67/766911767.db2.gz SNCBHGIIAQXCEG-CYBMUJFWSA-N 1 1 348.451 0.506 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncnc3C3CC3)CC2)C1 ZINC001046080710 766917491 /nfs/dbraw/zinc/91/74/91/766917491.db2.gz JUHRTQRTGIMNQJ-INIZCTEOSA-N 1 1 339.443 0.819 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046081793 766920169 /nfs/dbraw/zinc/92/01/69/766920169.db2.gz OUENHOJUZIHPHG-IRXDYDNUSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)N3CCCC3=O)CC2)C1 ZINC001046085178 766926339 /nfs/dbraw/zinc/92/63/39/766926339.db2.gz DRODLZCTTVNYNY-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)N3CCCCC3=O)CC2)C1 ZINC001046086434 766928483 /nfs/dbraw/zinc/92/84/83/766928483.db2.gz NVMSRFQCFDVYJF-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)n(C)n3)CC2)C1 ZINC001046089144 766931421 /nfs/dbraw/zinc/93/14/21/766931421.db2.gz ZZESSPOIUQRHEQ-QGZVFWFLSA-N 1 1 343.475 0.838 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)n(C)n3)CC2)C1 ZINC001046089882 766932155 /nfs/dbraw/zinc/93/21/55/766932155.db2.gz KNQSHHANOYODRI-QGZVFWFLSA-N 1 1 343.475 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2c(C)nnn2CC)C1 ZINC001031740697 766985813 /nfs/dbraw/zinc/98/58/13/766985813.db2.gz JBCDXXKCCCQNPR-INIZCTEOSA-N 1 1 344.463 0.252 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2c(C)nnn2CC)C1 ZINC001031740697 766985815 /nfs/dbraw/zinc/98/58/15/766985815.db2.gz JBCDXXKCCCQNPR-INIZCTEOSA-N 1 1 344.463 0.252 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](Cc1cnnn1C)CC2 ZINC001016833940 767015801 /nfs/dbraw/zinc/01/58/01/767015801.db2.gz VWMGDYVEEWUQFH-PMPSAXMXSA-N 1 1 345.447 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ncoc3C)C2)C1=O ZINC001046177713 767025040 /nfs/dbraw/zinc/02/50/40/767025040.db2.gz LNOIOIACTSODOQ-GUYCJALGSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ncoc3C)C2)C1=O ZINC001046177713 767025049 /nfs/dbraw/zinc/02/50/49/767025049.db2.gz LNOIOIACTSODOQ-GUYCJALGSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001046177745 767025394 /nfs/dbraw/zinc/02/53/94/767025394.db2.gz MLFDUVVCVXVTLI-KDOFPFPSSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001046177745 767025404 /nfs/dbraw/zinc/02/54/04/767025404.db2.gz MLFDUVVCVXVTLI-KDOFPFPSSA-N 1 1 345.447 0.710 20 30 ECEDMO C[NH+](C)CCn1ccc(C(=O)NCCNCC#Cc2ccccc2)n1 ZINC001127576757 767058945 /nfs/dbraw/zinc/05/89/45/767058945.db2.gz VPEWZHBBHABLNK-UHFFFAOYSA-N 1 1 339.443 0.816 20 30 ECEDMO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046223487 767091411 /nfs/dbraw/zinc/09/14/11/767091411.db2.gz LXEAWKMEZUSIBE-INIZCTEOSA-N 1 1 330.392 0.106 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001046230441 767098484 /nfs/dbraw/zinc/09/84/84/767098484.db2.gz ICKNIIFZCDVGTQ-KSSFIOAISA-N 1 1 344.415 0.768 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2nc(C)cc(C#N)n2)CC[N@H+]1C ZINC001106141643 767111561 /nfs/dbraw/zinc/11/15/61/767111561.db2.gz FXJWYJVMQFJGML-SOUVJXGZSA-N 1 1 346.435 0.276 20 30 ECEDMO C=C(C)CN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875455 767111762 /nfs/dbraw/zinc/11/17/62/767111762.db2.gz DADCHQDQHAZMOX-LPMVOBIJSA-N 1 1 347.459 0.385 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CCn4cncn4)[C@H]3C2)[nH]1 ZINC001042016761 782604603 /nfs/dbraw/zinc/60/46/03/782604603.db2.gz UDSSCOJJVVFLQL-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC000938819605 767120057 /nfs/dbraw/zinc/12/00/57/767120057.db2.gz SFBYIAOYNFXYTH-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC000938821483 767121030 /nfs/dbraw/zinc/12/10/30/767121030.db2.gz MZOSYKSEVQUBAU-KBPBESRZSA-N 1 1 346.435 0.279 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046287024 767128437 /nfs/dbraw/zinc/12/84/37/767128437.db2.gz HUCSLPIQHBXRHT-PBHICJAKSA-N 1 1 328.372 0.747 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046288282 767129022 /nfs/dbraw/zinc/12/90/22/767129022.db2.gz NBARANRNBMQADB-YOEHRIQHSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046288282 767129023 /nfs/dbraw/zinc/12/90/23/767129023.db2.gz NBARANRNBMQADB-YOEHRIQHSA-N 1 1 346.362 0.886 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001046312178 767141286 /nfs/dbraw/zinc/14/12/86/767141286.db2.gz SAARNXBFFAINQG-GUYCJALGSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001046312178 767141289 /nfs/dbraw/zinc/14/12/89/767141289.db2.gz SAARNXBFFAINQG-GUYCJALGSA-N 1 1 331.420 0.699 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001046312328 767141325 /nfs/dbraw/zinc/14/13/25/767141325.db2.gz VOWFHWAROZPOGX-UHFFFAOYSA-N 1 1 349.475 0.764 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC(=O)N3)C2)s1 ZINC001031754529 767154795 /nfs/dbraw/zinc/15/47/95/767154795.db2.gz HOEZCGNYWCYPOG-CQSZACIVSA-N 1 1 332.429 0.836 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1nnnn1C1CC1 ZINC001127609414 767162830 /nfs/dbraw/zinc/16/28/30/767162830.db2.gz YTUXBAGUSFAIBM-BNOWGMLFSA-N 1 1 334.424 0.756 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001046392672 767191547 /nfs/dbraw/zinc/19/15/47/767191547.db2.gz IQSXDMLEQUPNLJ-VNQPRFMTSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001046392672 767191548 /nfs/dbraw/zinc/19/15/48/767191548.db2.gz IQSXDMLEQUPNLJ-VNQPRFMTSA-N 1 1 343.431 0.981 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nnc[nH]1 ZINC001089791906 767199317 /nfs/dbraw/zinc/19/93/17/767199317.db2.gz LJOKXWIZYSBYPR-JONQDZQNSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nc[nH]n1 ZINC001089791906 767199319 /nfs/dbraw/zinc/19/93/19/767199319.db2.gz LJOKXWIZYSBYPR-JONQDZQNSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nc[nH]n1 ZINC001089791906 767199321 /nfs/dbraw/zinc/19/93/21/767199321.db2.gz LJOKXWIZYSBYPR-JONQDZQNSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1 ZINC001078284718 782613542 /nfs/dbraw/zinc/61/35/42/782613542.db2.gz GZMSCNIJCBMEQM-GDBMZVCRSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CN(C(C)=O)C1 ZINC001089798065 767222463 /nfs/dbraw/zinc/22/24/63/767222463.db2.gz QULAFKHVXRTKEG-RANZSIQMSA-N 1 1 329.444 0.657 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnn(C)c1N ZINC001089798428 767222998 /nfs/dbraw/zinc/22/29/98/767222998.db2.gz SUVVHLZNQQCADJ-XZDPQHSOSA-N 1 1 327.432 0.808 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001046445059 767229741 /nfs/dbraw/zinc/22/97/41/767229741.db2.gz YXCBAWASGKZPNW-SFHVURJKSA-N 1 1 331.416 0.712 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001046466483 767243326 /nfs/dbraw/zinc/24/33/26/767243326.db2.gz LERIGSCMOKQINH-QGZVFWFLSA-N 1 1 332.404 0.107 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccn2nnnc12 ZINC001089811294 767255260 /nfs/dbraw/zinc/25/52/60/767255260.db2.gz FHHIAINHYZZUBR-XZDPQHSOSA-N 1 1 336.399 0.540 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001046507071 767268269 /nfs/dbraw/zinc/26/82/69/767268269.db2.gz GFNJLNXOUBKKMJ-INIZCTEOSA-N 1 1 327.392 0.828 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001046506054 767268299 /nfs/dbraw/zinc/26/82/99/767268299.db2.gz OBQGFLWDGLDBIP-ZIFCJYIRSA-N 1 1 349.475 0.470 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046537682 767288449 /nfs/dbraw/zinc/28/84/49/767288449.db2.gz CJPHUVWRLMRPOU-XJKSGUPXSA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046537682 767288451 /nfs/dbraw/zinc/28/84/51/767288451.db2.gz CJPHUVWRLMRPOU-XJKSGUPXSA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046540559 767291844 /nfs/dbraw/zinc/29/18/44/767291844.db2.gz XMDIAUAXQJXFAJ-QFBILLFUSA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046540559 767291845 /nfs/dbraw/zinc/29/18/45/767291845.db2.gz XMDIAUAXQJXFAJ-QFBILLFUSA-N 1 1 325.412 0.755 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001046542647 767293374 /nfs/dbraw/zinc/29/33/74/767293374.db2.gz KPXOBFDGLNFXRW-SJCJKPOMSA-N 1 1 347.419 0.107 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001046542853 767293478 /nfs/dbraw/zinc/29/34/78/767293478.db2.gz LHGIKXGHPNLJPD-LPHOPBHVSA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001046542853 767293479 /nfs/dbraw/zinc/29/34/79/767293479.db2.gz LHGIKXGHPNLJPD-LPHOPBHVSA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@H](C(=O)N[C@]2(C)CC[N@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001046542857 767293521 /nfs/dbraw/zinc/29/35/21/767293521.db2.gz LHGIKXGHPNLJPD-VQIMIIECSA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001046542857 767293523 /nfs/dbraw/zinc/29/35/23/767293523.db2.gz LHGIKXGHPNLJPD-VQIMIIECSA-N 1 1 340.427 0.642 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC000994970175 767312176 /nfs/dbraw/zinc/31/21/76/767312176.db2.gz CEJYUURIILFUIT-KGLIPLIRSA-N 1 1 343.435 0.886 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046585657 767335837 /nfs/dbraw/zinc/33/58/37/767335837.db2.gz HZHBECZHEMLUSK-DOMZBBRYSA-N 1 1 333.417 0.382 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046585657 767335846 /nfs/dbraw/zinc/33/58/46/767335846.db2.gz HZHBECZHEMLUSK-DOMZBBRYSA-N 1 1 333.417 0.382 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn[nH]c(=O)c1 ZINC001089823281 767339601 /nfs/dbraw/zinc/33/96/01/767339601.db2.gz FHCIIIDIFVUMNZ-HNKHHVNMSA-N 1 1 326.400 0.988 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc2n1CCOC2 ZINC001089823550 767340875 /nfs/dbraw/zinc/34/08/75/767340875.db2.gz AWXSNCDADDTEJF-JONQDZQNSA-N 1 1 340.427 0.829 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046589834 767341470 /nfs/dbraw/zinc/34/14/70/767341470.db2.gz YIGBPVZPDLCQIX-PBHICJAKSA-N 1 1 327.388 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001046601003 767354474 /nfs/dbraw/zinc/35/44/74/767354474.db2.gz XYANGBCOAOTMFP-BLLLJJGKSA-N 1 1 335.383 0.530 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001046601003 767354481 /nfs/dbraw/zinc/35/44/81/767354481.db2.gz XYANGBCOAOTMFP-BLLLJJGKSA-N 1 1 335.383 0.530 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001046605755 767357008 /nfs/dbraw/zinc/35/70/08/767357008.db2.gz XILSLDGTOHXJKF-RDTXWAMCSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001046605755 767357016 /nfs/dbraw/zinc/35/70/16/767357016.db2.gz XILSLDGTOHXJKF-RDTXWAMCSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001046605029 767357067 /nfs/dbraw/zinc/35/70/67/767357067.db2.gz PAAJPXLLVHOCHW-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001046605029 767357075 /nfs/dbraw/zinc/35/70/75/767357075.db2.gz PAAJPXLLVHOCHW-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106146735 767367244 /nfs/dbraw/zinc/36/72/44/767367244.db2.gz FUBFIZFATDXTJM-GJZGRUSLSA-N 1 1 331.420 0.717 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001106157880 767422058 /nfs/dbraw/zinc/42/20/58/767422058.db2.gz LGMMSGKNPPOZCZ-UONOGXRCSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccnc(OC)n1 ZINC001089836916 767432559 /nfs/dbraw/zinc/43/25/59/767432559.db2.gz WEXZQUXBLHTSKI-AYDFFVQHSA-N 1 1 326.400 0.901 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2nnnn2c1 ZINC001089836807 767432935 /nfs/dbraw/zinc/43/29/35/767432935.db2.gz UQNGGWMCUYMJEW-UKMLZYKCSA-N 1 1 336.399 0.540 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)ccc1=O ZINC001089835230 767433702 /nfs/dbraw/zinc/43/37/02/767433702.db2.gz IVGKENOKZXFNTL-IVSAIRAKSA-N 1 1 325.412 0.801 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1ncn(C)c1=O ZINC001089838654 767435017 /nfs/dbraw/zinc/43/50/17/767435017.db2.gz LVDWYBWYJZSCIF-JONQDZQNSA-N 1 1 345.447 0.327 20 30 ECEDMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1C ZINC001077569620 767439714 /nfs/dbraw/zinc/43/97/14/767439714.db2.gz ATFCYLUAINEDFF-NVXWUHKLSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1C ZINC001077569620 767439718 /nfs/dbraw/zinc/43/97/18/767439718.db2.gz ATFCYLUAINEDFF-NVXWUHKLSA-N 1 1 339.399 0.575 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001016998551 767452364 /nfs/dbraw/zinc/45/23/64/767452364.db2.gz NIFLDPWFVLZABE-OOHWJJMZSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001046683941 767476439 /nfs/dbraw/zinc/47/64/39/767476439.db2.gz DTBKVWSRXPXFCP-AWEZNQCLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001046688865 767484703 /nfs/dbraw/zinc/48/47/03/767484703.db2.gz AMZJEGMBROVDDF-CZUORRHYSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001046688865 767484705 /nfs/dbraw/zinc/48/47/05/767484705.db2.gz AMZJEGMBROVDDF-CZUORRHYSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001046690520 767487161 /nfs/dbraw/zinc/48/71/61/767487161.db2.gz VZIJNXINOHZLBM-RHSMWYFYSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001046690520 767487164 /nfs/dbraw/zinc/48/71/64/767487164.db2.gz VZIJNXINOHZLBM-RHSMWYFYSA-N 1 1 346.435 0.327 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046692259 767493035 /nfs/dbraw/zinc/49/30/35/767493035.db2.gz SJLNJDXGIZXTHR-LSDHHAIUSA-N 1 1 335.448 0.067 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046692751 767495329 /nfs/dbraw/zinc/49/53/29/767495329.db2.gz YRGKVOCWCJMUOT-ZIAGYGMSSA-N 1 1 337.464 0.476 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)nc1 ZINC001053985671 767535993 /nfs/dbraw/zinc/53/59/93/767535993.db2.gz WFUAHGUZWBNEDC-HOTGVXAUSA-N 1 1 341.411 0.673 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C1CCC1)C[C@H](C)O2 ZINC001111533097 767543073 /nfs/dbraw/zinc/54/30/73/767543073.db2.gz BOWFBKFEYXWOSE-HNNXBMFYSA-N 1 1 347.459 0.618 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1CCNC1=O ZINC001017091508 767572520 /nfs/dbraw/zinc/57/25/20/767572520.db2.gz DTADQKHDLAHQKT-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO Cn1cc(C[N@H+](C)C[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001017093041 767574599 /nfs/dbraw/zinc/57/45/99/767574599.db2.gz LQQWIWANNICIAY-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001017093041 767574605 /nfs/dbraw/zinc/57/46/05/767574605.db2.gz LQQWIWANNICIAY-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001054034861 767634439 /nfs/dbraw/zinc/63/44/39/767634439.db2.gz BALIHBIXPOQOOK-IAGOWNOFSA-N 1 1 325.412 0.831 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001054048736 767647540 /nfs/dbraw/zinc/64/75/40/767647540.db2.gz HRFRFQARUGXWDR-IRXDYDNUSA-N 1 1 325.412 0.689 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001054051774 767651460 /nfs/dbraw/zinc/65/14/60/767651460.db2.gz JHUJMXBVFLNSGY-YESZJQIVSA-N 1 1 343.427 0.748 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001054051774 767651462 /nfs/dbraw/zinc/65/14/62/767651462.db2.gz JHUJMXBVFLNSGY-YESZJQIVSA-N 1 1 343.427 0.748 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001054116122 767703401 /nfs/dbraw/zinc/70/34/01/767703401.db2.gz MYIDSJVDRZCRTN-QGZVFWFLSA-N 1 1 329.404 0.560 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001054118289 767706075 /nfs/dbraw/zinc/70/60/75/767706075.db2.gz FHPMDRGXIHZEEH-PXAZEXFGSA-N 1 1 329.404 0.688 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(CCOC)nn1)C2 ZINC001054129467 767723844 /nfs/dbraw/zinc/72/38/44/767723844.db2.gz RTLWPUVWJFVABL-QGZVFWFLSA-N 1 1 331.420 0.486 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)nn1 ZINC001017222708 767736489 /nfs/dbraw/zinc/73/64/89/767736489.db2.gz BXHBTDHFTOSBDP-UKRRQHHQSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001054146617 767741452 /nfs/dbraw/zinc/74/14/52/767741452.db2.gz OCFFHDFDTTXBIT-KBXCAEBGSA-N 1 1 348.447 0.865 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCOCC1=O)C2 ZINC001054146892 767742412 /nfs/dbraw/zinc/74/24/12/767742412.db2.gz UDZVRUNESZNUBR-SFHVURJKSA-N 1 1 333.432 0.183 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001054155698 767751041 /nfs/dbraw/zinc/75/10/41/767751041.db2.gz XPHZUMGYJWBKCB-LJQANCHMSA-N 1 1 348.491 0.651 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1Cc3cncn3C(=O)N1)C2 ZINC001054168668 767765630 /nfs/dbraw/zinc/76/56/30/767765630.db2.gz GEIZDMUFIFGGTQ-YJBOKZPZSA-N 1 1 341.415 0.313 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2ccn[nH]2)CC1 ZINC001017304890 767820162 /nfs/dbraw/zinc/82/01/62/767820162.db2.gz FSEXPXJDMMPHOS-INIZCTEOSA-N 1 1 341.415 0.396 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2ccn[nH]2)CC1 ZINC001017304890 767820169 /nfs/dbraw/zinc/82/01/69/767820169.db2.gz FSEXPXJDMMPHOS-INIZCTEOSA-N 1 1 341.415 0.396 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn([C@H]3CCOC3)nn1)C2 ZINC001054224310 767829326 /nfs/dbraw/zinc/82/93/26/767829326.db2.gz BKAFSZLCFLYROG-MAUKXSAKSA-N 1 1 343.431 0.801 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)nc1 ZINC001054229235 767837447 /nfs/dbraw/zinc/83/74/47/767837447.db2.gz NRIQSZMBNOOVJS-SFHVURJKSA-N 1 1 326.400 0.476 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001054236643 767846520 /nfs/dbraw/zinc/84/65/20/767846520.db2.gz LJZIVVGEBWTAIF-KDOFPFPSSA-N 1 1 348.447 0.865 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001054237722 767846931 /nfs/dbraw/zinc/84/69/31/767846931.db2.gz AXAJYYYRNMWAKZ-DYVFJYSZSA-N 1 1 334.420 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)NC(C)(C)C1=O)C2 ZINC001054237404 767847001 /nfs/dbraw/zinc/84/70/01/767847001.db2.gz WGDBZHQWCYWWKI-SFHVURJKSA-N 1 1 346.431 0.265 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N ZINC001054903633 768405941 /nfs/dbraw/zinc/40/59/41/768405941.db2.gz QOSNHZQELMCHQI-DHMWGJHJSA-N 1 1 326.404 0.668 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)C1 ZINC001055034409 768539695 /nfs/dbraw/zinc/53/96/95/768539695.db2.gz PUQHZGJGYJCXQX-ATGSNQNLSA-N 1 1 326.404 0.526 20 30 ECEDMO C[C@H](CCNc1ccncc1C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106641636 768545072 /nfs/dbraw/zinc/54/50/72/768545072.db2.gz AXORCDGVJYPAFV-XJKCOSOUSA-N 1 1 331.420 0.401 20 30 ECEDMO C[C@H](CCNc1ccncc1C#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106641636 768545073 /nfs/dbraw/zinc/54/50/73/768545073.db2.gz AXORCDGVJYPAFV-XJKCOSOUSA-N 1 1 331.420 0.401 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127369100 768569484 /nfs/dbraw/zinc/56/94/84/768569484.db2.gz MQCXAHHKXPTALM-UHFFFAOYSA-N 1 1 334.424 0.577 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001055251947 768711463 /nfs/dbraw/zinc/71/14/63/768711463.db2.gz ORZWZZYSBJEKFQ-WCVJEAGWSA-N 1 1 335.448 0.589 20 30 ECEDMO C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001098790597 768770371 /nfs/dbraw/zinc/77/03/71/768770371.db2.gz WPUQPGPNZGIOSS-INIZCTEOSA-N 1 1 332.452 0.505 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001098790597 768770380 /nfs/dbraw/zinc/77/03/80/768770380.db2.gz WPUQPGPNZGIOSS-INIZCTEOSA-N 1 1 332.452 0.505 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001055314108 768771082 /nfs/dbraw/zinc/77/10/82/768771082.db2.gz QRUBJVFIEPFIBO-RVKKMQEKSA-N 1 1 346.431 0.435 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(C(=O)C#CC(C)C)C[C@H]3C2)C1 ZINC001055332457 768789158 /nfs/dbraw/zinc/78/91/58/768789158.db2.gz VJSKJBHDAVMNCQ-IXDOHACOSA-N 1 1 347.459 0.283 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(C(=O)C#CC(C)C)C[C@H]3C2)C1 ZINC001055332457 768789161 /nfs/dbraw/zinc/78/91/61/768789161.db2.gz VJSKJBHDAVMNCQ-IXDOHACOSA-N 1 1 347.459 0.283 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@@H]2C1 ZINC001055338176 768794089 /nfs/dbraw/zinc/79/40/89/768794089.db2.gz PAWPLKSKWTVDDP-NXOAAHMSSA-N 1 1 347.459 0.141 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001055338262 768795267 /nfs/dbraw/zinc/79/52/67/768795267.db2.gz QJDGHQVRNCWBNC-ZACQAIPSSA-N 1 1 347.459 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)[C@H]1C ZINC000993395313 768951793 /nfs/dbraw/zinc/95/17/93/768951793.db2.gz MJMDJYXPQIIXMS-CJNGLKHVSA-N 1 1 329.400 0.767 20 30 ECEDMO Cc1noc(C)c1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055514228 768983343 /nfs/dbraw/zinc/98/33/43/768983343.db2.gz BTNMDWITBUJYRA-NSHDSACASA-N 1 1 347.419 0.762 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2ccoc2)CC1 ZINC001055517672 768990599 /nfs/dbraw/zinc/99/05/99/768990599.db2.gz KECSDUPHGHDBSJ-AWEZNQCLSA-N 1 1 347.415 0.628 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC000993415245 769000098 /nfs/dbraw/zinc/00/00/98/769000098.db2.gz OMEKRSLQDIMLNJ-ZIAGYGMSSA-N 1 1 334.420 0.092 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2C#N)C3)C1 ZINC001055535293 769040349 /nfs/dbraw/zinc/04/03/49/769040349.db2.gz VGJBSCPEHPYHGB-GLJUWKHASA-N 1 1 340.431 0.775 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)nc1 ZINC001031278595 769046364 /nfs/dbraw/zinc/04/63/64/769046364.db2.gz RYEXMZFPHSIMIC-AWEZNQCLSA-N 1 1 326.400 0.393 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cocn2)CC1 ZINC001055542930 769068909 /nfs/dbraw/zinc/06/89/09/769068909.db2.gz OGZHWEUVYTYXPE-UHFFFAOYSA-N 1 1 332.404 0.644 20 30 ECEDMO C#CCCCC(=O)NC1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055545475 769081252 /nfs/dbraw/zinc/08/12/52/769081252.db2.gz JOCFFBFCDYBNOG-KRWDZBQOSA-N 1 1 348.491 0.581 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2ncccc2O)CC1 ZINC001055563832 769122880 /nfs/dbraw/zinc/12/28/80/769122880.db2.gz LUVPWWCFYNPKLY-GFCCVEGCSA-N 1 1 345.403 0.257 20 30 ECEDMO Cc1conc1C(=O)NC1CC[NH+](CCNC(=O)C#CC(C)C)CC1 ZINC001055573023 769151266 /nfs/dbraw/zinc/15/12/66/769151266.db2.gz OAVABGNCTCZAOS-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO Cc1nocc1C(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055575611 769163558 /nfs/dbraw/zinc/16/35/58/769163558.db2.gz ZNAJGISHETVLDL-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO C#CCCCC(=O)NC1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055578613 769174937 /nfs/dbraw/zinc/17/49/37/769174937.db2.gz QVNSPNJQMSGRHI-INIZCTEOSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCCCC(=O)NC1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055578613 769174941 /nfs/dbraw/zinc/17/49/41/769174941.db2.gz QVNSPNJQMSGRHI-INIZCTEOSA-N 1 1 348.491 0.438 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@@H]1C ZINC000993504884 769188163 /nfs/dbraw/zinc/18/81/63/769188163.db2.gz MHLVOVGSARJRJD-DZGCQCFKSA-N 1 1 328.416 0.715 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@@H]1C ZINC000993510265 769195064 /nfs/dbraw/zinc/19/50/64/769195064.db2.gz UGSHDVWWTIVDHR-DZGCQCFKSA-N 1 1 328.416 0.715 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000993518896 769216438 /nfs/dbraw/zinc/21/64/38/769216438.db2.gz JIHLMMRVZKXHJX-AAEUAGOBSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000993518896 769216443 /nfs/dbraw/zinc/21/64/43/769216443.db2.gz JIHLMMRVZKXHJX-AAEUAGOBSA-N 1 1 339.417 0.533 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)Cc2nnc[nH]2)CC1 ZINC001055607935 769246571 /nfs/dbraw/zinc/24/65/71/769246571.db2.gz IFYOFSDMOFZFLH-UHFFFAOYSA-N 1 1 348.451 0.256 20 30 ECEDMO C=C[C@H](CC)CC(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622544 769280828 /nfs/dbraw/zinc/28/08/28/769280828.db2.gz OPIURPSEOROSOW-CYBMUJFWSA-N 1 1 349.435 0.982 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001055631668 769303270 /nfs/dbraw/zinc/30/32/70/769303270.db2.gz JTBMZHFSSVWGSG-CQSZACIVSA-N 1 1 349.479 0.327 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@@H]1C ZINC000993557991 769314249 /nfs/dbraw/zinc/31/42/49/769314249.db2.gz VRHRTMCELZMFJB-GOEBONIOSA-N 1 1 331.416 0.711 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)CCc2c[nH]nn2)CC1 ZINC001055645687 769337937 /nfs/dbraw/zinc/33/79/37/769337937.db2.gz GOQXTRXWYDRYAD-UHFFFAOYSA-N 1 1 348.451 0.400 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC)[C@H]2C1 ZINC001042093782 782752341 /nfs/dbraw/zinc/75/23/41/782752341.db2.gz BFXYLGPOHBZRLC-ZBFHGGJFSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC)[C@H]2C1 ZINC001042093782 782752344 /nfs/dbraw/zinc/75/23/44/782752344.db2.gz BFXYLGPOHBZRLC-ZBFHGGJFSA-N 1 1 330.432 0.957 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC001042096067 782754953 /nfs/dbraw/zinc/75/49/53/782754953.db2.gz ANSDKPDEZFBKSD-KGLIPLIRSA-N 1 1 341.839 0.521 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC001042096067 782754961 /nfs/dbraw/zinc/75/49/61/782754961.db2.gz ANSDKPDEZFBKSD-KGLIPLIRSA-N 1 1 341.839 0.521 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@H]1C ZINC000993703750 769537352 /nfs/dbraw/zinc/53/73/52/769537352.db2.gz NXEGPRAIGVRHAL-OCCSQVGLSA-N 1 1 326.404 0.969 20 30 ECEDMO CC(C)n1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCCO2)nn1 ZINC001078358070 782767729 /nfs/dbraw/zinc/76/77/29/782767729.db2.gz IRAAMYKUNYPCJM-HIFRSBDPSA-N 1 1 334.424 0.726 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1C ZINC001078360012 782772039 /nfs/dbraw/zinc/77/20/39/782772039.db2.gz JPMSLQXAIIHMHD-ZIAGYGMSSA-N 1 1 348.451 0.805 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)C[C@@H]21 ZINC001042107635 782786099 /nfs/dbraw/zinc/78/60/99/782786099.db2.gz BYVRHPWOPVYNLQ-GJZGRUSLSA-N 1 1 338.415 0.992 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)c3ncccc3O)C2)C1=O ZINC001018756441 769879845 /nfs/dbraw/zinc/87/98/45/769879845.db2.gz QHLLBCMYCYCRFN-STQMWFEESA-N 1 1 330.388 0.378 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001055832311 769895763 /nfs/dbraw/zinc/89/57/63/769895763.db2.gz KIPBUSLAVHLYMK-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001055832446 769896748 /nfs/dbraw/zinc/89/67/48/769896748.db2.gz XDZYEROTJUTIGW-KRWDZBQOSA-N 1 1 341.452 0.001 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H]1C ZINC000993980839 769958150 /nfs/dbraw/zinc/95/81/50/769958150.db2.gz CBNSKFLDRGBHEP-LSDHHAIUSA-N 1 1 348.451 0.724 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]21 ZINC001042115683 782796886 /nfs/dbraw/zinc/79/68/86/782796886.db2.gz YWIGKMYWFLCPMH-HIFRSBDPSA-N 1 1 338.473 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]21 ZINC001042115683 782796894 /nfs/dbraw/zinc/79/68/94/782796894.db2.gz YWIGKMYWFLCPMH-HIFRSBDPSA-N 1 1 338.473 0.920 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]21 ZINC001042116759 782798147 /nfs/dbraw/zinc/79/81/47/782798147.db2.gz NGQROVQOBKPDKU-HOCLYGCPSA-N 1 1 336.395 0.864 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@H]21 ZINC001042120155 782804192 /nfs/dbraw/zinc/80/41/92/782804192.db2.gz PHSVWGAJMHLFJH-WCQYABFASA-N 1 1 339.417 0.649 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCO[C@H](C[NH2+]Cc3ccon3)C2)[nH]1 ZINC001078376707 782804368 /nfs/dbraw/zinc/80/43/68/782804368.db2.gz DOJWHAUHGXUQQS-CQSZACIVSA-N 1 1 329.360 0.895 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001055911185 770183231 /nfs/dbraw/zinc/18/32/31/770183231.db2.gz WYYPXQMSHSFSAH-SFHVURJKSA-N 1 1 337.464 0.601 20 30 ECEDMO N#Cc1cnc(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)cn1 ZINC001055912673 770189926 /nfs/dbraw/zinc/18/99/26/770189926.db2.gz OATRBPIUQBJIKQ-HOCLYGCPSA-N 1 1 340.431 0.871 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3nncs3)C2)c[nH]1 ZINC001078383932 782820374 /nfs/dbraw/zinc/82/03/74/782820374.db2.gz IPIVWUYSSXYQPY-ZDUSSCGKSA-N 1 1 346.416 0.759 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001055933865 770273610 /nfs/dbraw/zinc/27/36/10/770273610.db2.gz WOVBSZJVGQPIRO-QAPCUYQASA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1C ZINC000994200580 770291110 /nfs/dbraw/zinc/29/11/10/770291110.db2.gz AOBPNMXXAYINOU-HHARLNAUSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1C ZINC000994200580 770291115 /nfs/dbraw/zinc/29/11/15/770291115.db2.gz AOBPNMXXAYINOU-HHARLNAUSA-N 1 1 331.460 0.951 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(NC(=O)C#CC(C)(C)C)C2)C1 ZINC001055939681 770296503 /nfs/dbraw/zinc/29/65/03/770296503.db2.gz FMSCJLZBCBPDAE-DNVCBOLYSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@H]21 ZINC001042133831 782828439 /nfs/dbraw/zinc/82/84/39/782828439.db2.gz LWHNCRMBHFLNBM-VXGBXAGGSA-N 1 1 339.417 0.649 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055952304 770339560 /nfs/dbraw/zinc/33/95/60/770339560.db2.gz ATMJELALABYGEF-KSSFIOAISA-N 1 1 337.464 0.620 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001055952528 770340151 /nfs/dbraw/zinc/34/01/51/770340151.db2.gz HWSSCPRASYMBEM-SFHVURJKSA-N 1 1 348.447 0.873 20 30 ECEDMO C=C(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055971512 770402311 /nfs/dbraw/zinc/40/23/11/770402311.db2.gz FOGMRHARVIJYMU-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3nccnc3C#N)CC2)C1 ZINC001055992233 770481210 /nfs/dbraw/zinc/48/12/10/770481210.db2.gz TZIXFVHOSSGMPE-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(c3nccnc3C#N)CC2)C1 ZINC001055992233 770481214 /nfs/dbraw/zinc/48/12/14/770481214.db2.gz TZIXFVHOSSGMPE-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1C ZINC001106874547 770504559 /nfs/dbraw/zinc/50/45/59/770504559.db2.gz KKTSWWGBLBLCMR-ZIAGYGMSSA-N 1 1 345.447 0.121 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4sccn4c3=O)C[C@@H]21 ZINC001042143989 782845423 /nfs/dbraw/zinc/84/54/23/782845423.db2.gz ZVCCPIKOLXSYTQ-JSGCOSHPSA-N 1 1 342.424 0.926 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCN(c3nccnc3C#N)CC2)C1 ZINC001056017489 770563162 /nfs/dbraw/zinc/56/31/62/770563162.db2.gz OUDILRSWEXNYPE-UHFFFAOYSA-N 1 1 328.420 0.729 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019011278 770563157 /nfs/dbraw/zinc/56/31/57/770563157.db2.gz FRSUYXUYJFISPU-OAHLLOKOSA-N 1 1 329.444 0.945 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)CC[N@H+]1C ZINC001056054684 770691245 /nfs/dbraw/zinc/69/12/45/770691245.db2.gz KXTMUJFEIYHKCD-LSDHHAIUSA-N 1 1 328.420 0.727 20 30 ECEDMO CC#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001056061778 770713762 /nfs/dbraw/zinc/71/37/62/770713762.db2.gz NXHMHCIHGDLWSY-QFBILLFUSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C ZINC000994491801 770897526 /nfs/dbraw/zinc/89/75/26/770897526.db2.gz YNQSTMKPKBHFQX-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)c1C#N ZINC001056149586 770937986 /nfs/dbraw/zinc/93/79/86/770937986.db2.gz MPSOKZSWWLPURH-RQJABVFESA-N 1 1 331.445 0.968 20 30 ECEDMO COc1ccc(CN2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1C#N ZINC001031383993 770994934 /nfs/dbraw/zinc/99/49/34/770994934.db2.gz SRDKUJFKPGKSNK-CQSZACIVSA-N 1 1 328.416 0.819 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056305167 771098322 /nfs/dbraw/zinc/09/83/22/771098322.db2.gz BKUAYPMOXQTBKS-HRCADAONSA-N 1 1 335.448 0.875 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC001056355925 771164534 /nfs/dbraw/zinc/16/45/34/771164534.db2.gz QWKXJDVUPZQDOH-XUWVNRHRSA-N 1 1 325.416 0.988 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CCF)C2)c1 ZINC001019356762 771197159 /nfs/dbraw/zinc/19/71/59/771197159.db2.gz DYASIQPDEHESTH-HNNXBMFYSA-N 1 1 342.378 0.628 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)C[N@H+](C)CCC ZINC001056401817 771227129 /nfs/dbraw/zinc/22/71/29/771227129.db2.gz LAKHTGDZJXTMTA-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001019406040 771259848 /nfs/dbraw/zinc/25/98/48/771259848.db2.gz ZQLFOWHXJSONNO-MJBXVCDLSA-N 1 1 348.451 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncncc3Cl)C[C@H]21 ZINC001056466729 771304283 /nfs/dbraw/zinc/30/42/83/771304283.db2.gz DLYPGHCWIIOIFE-MYZSUADSSA-N 1 1 345.834 0.778 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncncc3Cl)C[C@H]21 ZINC001056466729 771304288 /nfs/dbraw/zinc/30/42/88/771304288.db2.gz DLYPGHCWIIOIFE-MYZSUADSSA-N 1 1 345.834 0.778 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001056487475 771326199 /nfs/dbraw/zinc/32/61/99/771326199.db2.gz AKILFRWZZMJBAY-IKGGRYGDSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C(C)C)C2)nn1 ZINC001019483341 771346632 /nfs/dbraw/zinc/34/66/32/771346632.db2.gz OTJWXBWPWASHBO-LBPRGKRZSA-N 1 1 345.411 0.036 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001060733786 771373166 /nfs/dbraw/zinc/37/31/66/771373166.db2.gz YOEYHWWGBCOWJN-QAETUUGQSA-N 1 1 349.475 0.768 20 30 ECEDMO CN(CCOCCNc1cncc(C#N)n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001127515514 771420218 /nfs/dbraw/zinc/42/02/18/771420218.db2.gz XLNITHFHHXYXDJ-UHFFFAOYSA-N 1 1 346.435 0.719 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC(C)(C)C1 ZINC001089540516 771423524 /nfs/dbraw/zinc/42/35/24/771423524.db2.gz CITBFJRHONWZQR-GFCCVEGCSA-N 1 1 342.403 0.271 20 30 ECEDMO C[C@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619153 771466495 /nfs/dbraw/zinc/46/64/95/771466495.db2.gz LWTZRQHLDASKKM-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C[C@H]21 ZINC001042202258 782931369 /nfs/dbraw/zinc/93/13/69/782931369.db2.gz YOWVCNLYFCLCSA-BXUZGUMPSA-N 1 1 325.372 0.833 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056817995 771682438 /nfs/dbraw/zinc/68/24/38/771682438.db2.gz PWRWUOKWUFKNBQ-CABCVRRESA-N 1 1 342.447 0.903 20 30 ECEDMO Cc1cc(N(C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001056879347 771755755 /nfs/dbraw/zinc/75/57/55/771755755.db2.gz AYSTVOUNFWBKMO-NVXWUHKLSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1cc(N(C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001056879347 771755761 /nfs/dbraw/zinc/75/57/61/771755761.db2.gz AYSTVOUNFWBKMO-NVXWUHKLSA-N 1 1 343.431 0.629 20 30 ECEDMO CN(c1ccc(C#N)nc1)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001056879997 771757812 /nfs/dbraw/zinc/75/78/12/771757812.db2.gz RPRRLMONBJWTBL-HOTGVXAUSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ccc(C#N)nc1)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001056879997 771757813 /nfs/dbraw/zinc/75/78/13/771757813.db2.gz RPRRLMONBJWTBL-HOTGVXAUSA-N 1 1 329.404 0.321 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 ZINC001056927067 771816380 /nfs/dbraw/zinc/81/63/80/771816380.db2.gz WDZDBZXUWMSDFU-AWEZNQCLSA-N 1 1 325.376 0.591 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3cnc(C)cn3)C2)CC1 ZINC001019815548 771830956 /nfs/dbraw/zinc/83/09/56/771830956.db2.gz JIKCRLZWLROTQS-KRWDZBQOSA-N 1 1 341.459 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nnc4c3CCCC4)C[C@@H]21 ZINC001042237440 782967456 /nfs/dbraw/zinc/96/74/56/782967456.db2.gz GRERNPOEDUXTKI-YOEHRIQHSA-N 1 1 327.432 0.713 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001057066319 772027650 /nfs/dbraw/zinc/02/76/50/772027650.db2.gz PCOUNAUZKVKWHE-UONOGXRCSA-N 1 1 328.420 0.870 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc4c3COCC4)C2)c1 ZINC001020058612 772114889 /nfs/dbraw/zinc/11/48/89/772114889.db2.gz PKMHVKRNQLIQFF-HAQNSBGRSA-N 1 1 341.371 0.998 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001020080082 772134522 /nfs/dbraw/zinc/13/45/22/772134522.db2.gz MZWBVDHJBYTDCB-JOCQHMNTSA-N 1 1 342.407 0.724 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001057174058 772214229 /nfs/dbraw/zinc/21/42/29/772214229.db2.gz OYMJSDTXRDLVMT-UHFFFAOYSA-N 1 1 348.447 0.665 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001057174945 772216274 /nfs/dbraw/zinc/21/62/74/772216274.db2.gz ODWDONXZKFLPEM-JKSUJKDBSA-N 1 1 337.464 0.907 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001020201635 772276943 /nfs/dbraw/zinc/27/69/43/772276943.db2.gz XNHBKGJULBGGFZ-ZOWXZIJZSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057234414 772318501 /nfs/dbraw/zinc/31/85/01/772318501.db2.gz BITMXDHBAFSSBI-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCCN(c3nccnc3C#N)CC2)CC[N@H+]1C ZINC001057248203 772338324 /nfs/dbraw/zinc/33/83/24/772338324.db2.gz BGSWUFURDOFNLV-ZIAGYGMSSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC001020250768 772351949 /nfs/dbraw/zinc/35/19/49/772351949.db2.gz PPIRISNZRVCCOD-JYJNAYRXSA-N 1 1 327.432 0.619 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057256010 772352778 /nfs/dbraw/zinc/35/27/78/772352778.db2.gz FFKKPGJKLNKEDP-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC)[C@H]3C2)nn1 ZINC001042267877 783011096 /nfs/dbraw/zinc/01/10/96/783011096.db2.gz XMMCMRZLMOLVSZ-ZFWWWQNUSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC)[C@H]3C2)nn1 ZINC001042267877 783011102 /nfs/dbraw/zinc/01/11/02/783011102.db2.gz XMMCMRZLMOLVSZ-ZFWWWQNUSA-N 1 1 346.435 0.137 20 30 ECEDMO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)cc1C#N ZINC001020340992 772467460 /nfs/dbraw/zinc/46/74/60/772467460.db2.gz IKFKDYBRVGZXTG-JOCQHMNTSA-N 1 1 326.360 0.736 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001057390305 772558961 /nfs/dbraw/zinc/55/89/61/772558961.db2.gz WKNSYVQLFZIEOK-HOTGVXAUSA-N 1 1 337.464 0.315 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(Nc2cncc(C#N)n2)CC1 ZINC001057427415 772602811 /nfs/dbraw/zinc/60/28/11/772602811.db2.gz VPERCTJYENHHPD-DOMZBBRYSA-N 1 1 328.420 0.949 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057569849 772765599 /nfs/dbraw/zinc/76/55/99/772765599.db2.gz GVBQBRATPJEFAY-QGZVFWFLSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001057587366 772783430 /nfs/dbraw/zinc/78/34/30/772783430.db2.gz DIYLYBOCCZSCGO-OAHLLOKOSA-N 1 1 325.453 0.763 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057599251 772795504 /nfs/dbraw/zinc/79/55/04/772795504.db2.gz WHVKZIQGASXJDY-IRXDYDNUSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCCCCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057636135 772843028 /nfs/dbraw/zinc/84/30/28/772843028.db2.gz NWBDDXKSDXOOSN-INIZCTEOSA-N 1 1 337.464 0.459 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001057696972 772921280 /nfs/dbraw/zinc/92/12/80/772921280.db2.gz DHEDVLVGBWFWMS-AWEZNQCLSA-N 1 1 325.453 0.478 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001057755100 772966083 /nfs/dbraw/zinc/96/60/83/772966083.db2.gz GYFNDEFIDKUCMH-AWEZNQCLSA-N 1 1 342.447 0.905 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057786119 772981753 /nfs/dbraw/zinc/98/17/53/772981753.db2.gz IGNPKXXENPZIJS-CQSZACIVSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057786119 772981755 /nfs/dbraw/zinc/98/17/55/772981755.db2.gz IGNPKXXENPZIJS-CQSZACIVSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001057853338 773072330 /nfs/dbraw/zinc/07/23/30/773072330.db2.gz LWVZCJHGBWOABN-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001057857782 773077745 /nfs/dbraw/zinc/07/77/45/773077745.db2.gz MAUGPQBPILZBNN-IYBDPMFKSA-N 1 1 337.464 0.600 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001057874840 773109927 /nfs/dbraw/zinc/10/99/27/773109927.db2.gz CKXHGIPLHXTRTJ-LSDHHAIUSA-N 1 1 338.452 0.346 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057885053 773130541 /nfs/dbraw/zinc/13/05/41/773130541.db2.gz AFYXQLCCUGAKSF-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(CC)CCC1 ZINC001057962494 773295036 /nfs/dbraw/zinc/29/50/36/773295036.db2.gz YLZYOIXHKUUUHM-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(CC)CCC1 ZINC001057962494 773295041 /nfs/dbraw/zinc/29/50/41/773295041.db2.gz YLZYOIXHKUUUHM-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001057966239 773301042 /nfs/dbraw/zinc/30/10/42/773301042.db2.gz BADCPAOMBXYSHO-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO C=CCOCC(=O)NCCN(CCO)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001057966576 773301583 /nfs/dbraw/zinc/30/15/83/773301583.db2.gz MAANYINOARJVHK-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(c3nccnc3C#N)CC2)O1 ZINC001057969075 773307008 /nfs/dbraw/zinc/30/70/08/773307008.db2.gz ALIKDTOAVGMRCZ-IUODEOHRSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(c3nccnc3C#N)CC2)O1 ZINC001057969075 773307016 /nfs/dbraw/zinc/30/70/16/773307016.db2.gz ALIKDTOAVGMRCZ-IUODEOHRSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2nccc(C)n2)CC1 ZINC001057970310 773309927 /nfs/dbraw/zinc/30/99/27/773309927.db2.gz KEGGANDJHRQIOU-INIZCTEOSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2nccc(C)n2)CC1 ZINC001057970310 773309935 /nfs/dbraw/zinc/30/99/35/773309935.db2.gz KEGGANDJHRQIOU-INIZCTEOSA-N 1 1 327.432 0.968 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057972655 773315603 /nfs/dbraw/zinc/31/56/03/773315603.db2.gz OSUXCDRSGMTLTG-OAHLLOKOSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058135104 773605707 /nfs/dbraw/zinc/60/57/07/773605707.db2.gz XEODAXNIHJJMJW-LSDHHAIUSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058135104 773605708 /nfs/dbraw/zinc/60/57/08/773605708.db2.gz XEODAXNIHJJMJW-LSDHHAIUSA-N 1 1 329.404 0.369 20 30 ECEDMO Cc1nsc(N2CCC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001058134964 773605714 /nfs/dbraw/zinc/60/57/14/773605714.db2.gz SVPYSZJSCCWIFJ-JSGCOSHPSA-N 1 1 349.460 0.739 20 30 ECEDMO Cc1nsc(N2CCC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001058134964 773605715 /nfs/dbraw/zinc/60/57/15/773605715.db2.gz SVPYSZJSCCWIFJ-JSGCOSHPSA-N 1 1 349.460 0.739 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058177289 773707659 /nfs/dbraw/zinc/70/76/59/773707659.db2.gz VRGNJDMOGWBCBL-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058177291 773707787 /nfs/dbraw/zinc/70/77/87/773707787.db2.gz VRGNJDMOGWBCBL-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001058219151 773793488 /nfs/dbraw/zinc/79/34/88/773793488.db2.gz MDNPTBUQLLONAY-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058265839 773880163 /nfs/dbraw/zinc/88/01/63/773880163.db2.gz UORYQYZBXCASHI-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC)cc1 ZINC001058273455 773899978 /nfs/dbraw/zinc/89/99/78/773899978.db2.gz LSHOAUWTSHLXPH-UHFFFAOYSA-N 1 1 345.443 0.560 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039809247 783135040 /nfs/dbraw/zinc/13/50/40/783135040.db2.gz SRUXXVACWWVIRI-QFBILLFUSA-N 1 1 349.475 0.786 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058287915 773923167 /nfs/dbraw/zinc/92/31/67/773923167.db2.gz IWOHXPAMRUGJFK-OAHLLOKOSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039819207 783148180 /nfs/dbraw/zinc/14/81/80/783148180.db2.gz NEBBDRGMHMFAOO-KBXCAEBGSA-N 1 1 337.464 0.620 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001058403857 774115810 /nfs/dbraw/zinc/11/58/10/774115810.db2.gz ZURPDGYBDNBXHE-ZIAGYGMSSA-N 1 1 328.420 0.693 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001040639816 783156566 /nfs/dbraw/zinc/15/65/66/783156566.db2.gz LCZXPCIARMSSPN-DZGCQCFKSA-N 1 1 337.387 0.591 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001058437393 774178456 /nfs/dbraw/zinc/17/84/56/774178456.db2.gz CJKLBCBNBZMUCV-HIFRSBDPSA-N 1 1 336.436 0.587 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001058468143 774242814 /nfs/dbraw/zinc/24/28/14/774242814.db2.gz BKWXWEHPTUMIGK-HNNXBMFYSA-N 1 1 327.469 0.868 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058468165 774242894 /nfs/dbraw/zinc/24/28/94/774242894.db2.gz BXJJHEUHPSJDMI-HZPDHXFCSA-N 1 1 339.480 0.868 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncnc3c2CCC3)C1 ZINC001058590190 774492143 /nfs/dbraw/zinc/49/21/43/774492143.db2.gz WONGUTQLDSIVDS-YOEHRIQHSA-N 1 1 339.443 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncnc3c2CCC3)C1 ZINC001058590190 774492148 /nfs/dbraw/zinc/49/21/48/774492148.db2.gz WONGUTQLDSIVDS-YOEHRIQHSA-N 1 1 339.443 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCCC=C ZINC001058626600 774565553 /nfs/dbraw/zinc/56/55/53/774565553.db2.gz QUINRCOKFOFDFW-INIZCTEOSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCCC=C ZINC001058626600 774565559 /nfs/dbraw/zinc/56/55/59/774565559.db2.gz QUINRCOKFOFDFW-INIZCTEOSA-N 1 1 335.448 0.377 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(c1cnc(C#N)cn1)CC2 ZINC001058627492 774566614 /nfs/dbraw/zinc/56/66/14/774566614.db2.gz TWSKHBOMNHSBGI-CABCVRRESA-N 1 1 340.431 0.918 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(c3cnc(C#N)cn3)[C@H]2C1 ZINC001044941704 774749780 /nfs/dbraw/zinc/74/97/80/774749780.db2.gz NNPYXGOGXSSZID-IMJJTQAJSA-N 1 1 340.431 0.870 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001045042633 774888582 /nfs/dbraw/zinc/88/85/82/774888582.db2.gz AHAWNQWXSDYARW-XHSDSOJGSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001045059394 774911725 /nfs/dbraw/zinc/91/17/25/774911725.db2.gz PQNHXGFRZKGGIG-CYBMUJFWSA-N 1 1 334.420 0.483 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1CCC ZINC001045208367 775150198 /nfs/dbraw/zinc/15/01/98/775150198.db2.gz CXMMNOYIUNSAGB-ZNMIVQPWSA-N 1 1 348.451 0.755 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2csnn2)nn1 ZINC001045232802 775192047 /nfs/dbraw/zinc/19/20/47/775192047.db2.gz RKVCKRMDKQKFOL-LBPRGKRZSA-N 1 1 333.421 0.710 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001043891016 775230201 /nfs/dbraw/zinc/23/02/01/775230201.db2.gz BJIYUANVAUOYJY-KGLIPLIRSA-N 1 1 326.360 0.273 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001044011366 775507814 /nfs/dbraw/zinc/50/78/14/775507814.db2.gz OKOCIXKQHVZEGA-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c(C#N)cn1 ZINC001044062914 775621118 /nfs/dbraw/zinc/62/11/18/775621118.db2.gz RMAPIUGYJCJVED-LXZKKBNFSA-N 1 1 343.431 0.269 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001045558694 775798343 /nfs/dbraw/zinc/79/83/43/775798343.db2.gz QAIKNXYTZDUIDO-NWDGAFQWSA-N 1 1 329.828 0.743 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCN1C(=O)CNC1=O ZINC001045735572 776110965 /nfs/dbraw/zinc/11/09/65/776110965.db2.gz PMOOWZCAMJFPJC-MCIONIFRSA-N 1 1 347.419 0.153 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001044336879 776180255 /nfs/dbraw/zinc/18/02/55/776180255.db2.gz XBSWHWMMUFRAFH-DLBZAZTESA-N 1 1 348.491 0.790 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O ZINC001044385796 776259588 /nfs/dbraw/zinc/25/95/88/776259588.db2.gz FUKRODDQNZHQIA-PVAVHDDUSA-N 1 1 346.406 0.847 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)CC[N@H+]1C ZINC001044452653 776313547 /nfs/dbraw/zinc/31/35/47/776313547.db2.gz RABVYFPQNQBSEW-CLROSIBMSA-N 1 1 343.431 0.349 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001070046541 790441654 /nfs/dbraw/zinc/44/16/54/790441654.db2.gz BXZBYTYYIRFCPL-PMPSAXMXSA-N 1 1 345.451 0.406 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3cccnn32)[C@@H](n2ccnn2)C1 ZINC001070047664 790445094 /nfs/dbraw/zinc/44/50/94/790445094.db2.gz CZZOAHSMSLIINF-WBVHZDCISA-N 1 1 349.398 0.604 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3cccnn32)[C@@H](n2ccnn2)C1 ZINC001070047664 790445099 /nfs/dbraw/zinc/44/50/99/790445099.db2.gz CZZOAHSMSLIINF-WBVHZDCISA-N 1 1 349.398 0.604 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001044547986 776419118 /nfs/dbraw/zinc/41/91/18/776419118.db2.gz SLJDEGDRSVABMX-WQVCFCJDSA-N 1 1 343.431 0.269 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)o2)[C@@H](n2ccnn2)C1 ZINC001070061404 790478704 /nfs/dbraw/zinc/47/87/04/790478704.db2.gz DHDTZVAXYRDGKT-OLZOCXBDSA-N 1 1 329.360 0.558 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)o2)[C@@H](n2ccnn2)C1 ZINC001070061404 790478714 /nfs/dbraw/zinc/47/87/14/790478714.db2.gz DHDTZVAXYRDGKT-OLZOCXBDSA-N 1 1 329.360 0.558 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001079741651 776785740 /nfs/dbraw/zinc/78/57/40/776785740.db2.gz PXPSRZPKPWTPAU-UHFFFAOYSA-N 1 1 344.415 0.823 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001079770530 776835591 /nfs/dbraw/zinc/83/55/91/776835591.db2.gz GFOIJWGTYJGANX-KRWDZBQOSA-N 1 1 345.443 0.183 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001079770530 776835601 /nfs/dbraw/zinc/83/56/01/776835601.db2.gz GFOIJWGTYJGANX-KRWDZBQOSA-N 1 1 345.443 0.183 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001079796496 776886080 /nfs/dbraw/zinc/88/60/80/776886080.db2.gz JMZRCZOTHFINJD-KBRIMQKVSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001079861404 776992142 /nfs/dbraw/zinc/99/21/42/776992142.db2.gz XWBYXMPPTGAZOX-BHYGNILZSA-N 1 1 349.475 0.814 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1C ZINC001079878208 777010921 /nfs/dbraw/zinc/01/09/21/777010921.db2.gz MJCJPLCUEVTNOQ-NXHRZFHOSA-N 1 1 343.475 0.497 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001079980803 777187207 /nfs/dbraw/zinc/18/72/07/777187207.db2.gz BISRINCFMJQTDS-UHFFFAOYSA-N 1 1 334.420 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCCOCC)C1 ZINC001080008875 777220897 /nfs/dbraw/zinc/22/08/97/777220897.db2.gz GZXTUIIWEWPOMX-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCCOCC)C1 ZINC001080008875 777220904 /nfs/dbraw/zinc/22/09/04/777220904.db2.gz GZXTUIIWEWPOMX-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C=C(C)CN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076344 790522155 /nfs/dbraw/zinc/52/21/55/790522155.db2.gz MDANNYDOCHNLRK-XHSDSOJGSA-N 1 1 332.452 0.538 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001080107525 777401181 /nfs/dbraw/zinc/40/11/81/777401181.db2.gz IFSRNWHBOVNTBX-UHFFFAOYSA-N 1 1 334.420 0.844 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001080200532 777547151 /nfs/dbraw/zinc/54/71/51/777547151.db2.gz HWBGNLHNEPUWEF-IBGZPJMESA-N 1 1 347.459 0.572 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2C)c1 ZINC001080410292 777810977 /nfs/dbraw/zinc/81/09/77/777810977.db2.gz ZJRYBNQDOZQZAC-DAXOMENPSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2C)c1 ZINC001080410292 777810991 /nfs/dbraw/zinc/81/09/91/777810991.db2.gz ZJRYBNQDOZQZAC-DAXOMENPSA-N 1 1 326.400 0.392 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001080449780 777876362 /nfs/dbraw/zinc/87/63/62/777876362.db2.gz YWAGCWDJXDSMMR-ZIAGYGMSSA-N 1 1 330.432 0.597 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001043187816 777913350 /nfs/dbraw/zinc/91/33/50/777913350.db2.gz UQUFQJIMDGDFRB-UHFFFAOYSA-N 1 1 349.475 0.929 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC001068563393 790576802 /nfs/dbraw/zinc/57/68/02/790576802.db2.gz QBXWDRCVOJBKEQ-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)O1 ZINC001068564524 790581101 /nfs/dbraw/zinc/58/11/01/790581101.db2.gz UZCRTXUIONOFRK-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080560907 778043340 /nfs/dbraw/zinc/04/33/40/778043340.db2.gz GJOVZMNEPQRGCH-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001043251748 778047422 /nfs/dbraw/zinc/04/74/22/778047422.db2.gz MRUYEBPSDRPWJL-UMVBOHGHSA-N 1 1 328.420 0.949 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043263107 778064251 /nfs/dbraw/zinc/06/42/51/778064251.db2.gz IBYHSOUUVWLUOO-HUUCEWRRSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)nn1 ZINC001080579256 778083497 /nfs/dbraw/zinc/08/34/97/778083497.db2.gz WSTIMJIZIQZXCR-TZMCWYRMSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2C)nn1 ZINC001080579256 778083509 /nfs/dbraw/zinc/08/35/09/778083509.db2.gz WSTIMJIZIQZXCR-TZMCWYRMSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070098849 790601009 /nfs/dbraw/zinc/60/10/09/790601009.db2.gz VZZHHQUMDOKWBN-OAGGEKHMSA-N 1 1 331.420 0.460 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)Cn3c[nH+]cc3C)C2)CCC1 ZINC001043353185 778212501 /nfs/dbraw/zinc/21/25/01/778212501.db2.gz RMUJXOLMHLGIMQ-UHFFFAOYSA-N 1 1 344.415 0.075 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001043413403 778287978 /nfs/dbraw/zinc/28/79/78/778287978.db2.gz BGAMXMDHHPCVTH-GASCZTMLSA-N 1 1 335.448 0.352 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043512457 778441106 /nfs/dbraw/zinc/44/11/06/778441106.db2.gz PRJJSSUHRAEWNA-HZSPNIEDSA-N 1 1 328.420 0.513 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 ZINC001043677040 778704487 /nfs/dbraw/zinc/70/44/87/778704487.db2.gz CAVUTTVBHFMIFN-HRCADAONSA-N 1 1 341.415 0.463 20 30 ECEDMO O=C(C#CC1CC1)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001043681949 778714877 /nfs/dbraw/zinc/71/48/77/778714877.db2.gz YNIMUAVRLOQDHZ-JKSUJKDBSA-N 1 1 345.443 0.106 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070112735 790646096 /nfs/dbraw/zinc/64/60/96/790646096.db2.gz OPHDWFDZUPWAFB-BMFZPTHFSA-N 1 1 343.435 0.733 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001043799272 778883704 /nfs/dbraw/zinc/88/37/04/778883704.db2.gz BMQQXKVGZVJDNN-OAHLLOKOSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCCCCC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070122530 790684295 /nfs/dbraw/zinc/68/42/95/790684295.db2.gz ZSPUTWAHTPGAJO-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC001068620161 790726768 /nfs/dbraw/zinc/72/67/68/790726768.db2.gz IENOZMVCHDAOGE-HIFRSBDPSA-N 1 1 348.447 0.507 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1n1ccnn1 ZINC001070145142 790744925 /nfs/dbraw/zinc/74/49/25/790744925.db2.gz UGFCTGVZVCGFRZ-KGLIPLIRSA-N 1 1 349.826 0.659 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@H]21 ZINC001042271442 779952144 /nfs/dbraw/zinc/95/21/44/779952144.db2.gz YFRMDXJXOQVNGN-HUUCEWRRSA-N 1 1 346.431 0.426 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 ZINC001042302436 780022267 /nfs/dbraw/zinc/02/22/67/780022267.db2.gz SOUIJNQHFWKSNK-KBPBESRZSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C(=O)NC)n3)C[C@@H]21 ZINC001042325413 780074498 /nfs/dbraw/zinc/07/44/98/780074498.db2.gz FNJNBVCRFARFHI-CJNGLKHVSA-N 1 1 326.400 0.611 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@@H]21 ZINC001042325453 780074903 /nfs/dbraw/zinc/07/49/03/780074903.db2.gz FZMJUTOQTLPWQC-LRDDRELGSA-N 1 1 337.383 0.900 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]2CC[N@H+](CC(=O)NC)[C@@H]2C1 ZINC001042327089 780076662 /nfs/dbraw/zinc/07/66/62/780076662.db2.gz UZNKOBLXDKLPPY-FUHWJXTLSA-N 1 1 339.439 0.879 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]2CC[N@H+](CC(=O)NC)[C@H]2C1 ZINC001042327091 780076945 /nfs/dbraw/zinc/07/69/45/780076945.db2.gz UZNKOBLXDKLPPY-WMZOPIPTSA-N 1 1 339.439 0.879 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc4nccc(C)n4n3)C[C@H]21 ZINC001042334070 780088871 /nfs/dbraw/zinc/08/88/71/780088871.db2.gz DMHCOPNJWPTXAG-HUUCEWRRSA-N 1 1 338.415 0.992 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@H]21 ZINC001042333862 780089071 /nfs/dbraw/zinc/08/90/71/780089071.db2.gz QOYMGOLWETUPLE-LSDHHAIUSA-N 1 1 338.415 0.911 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001042375378 780164109 /nfs/dbraw/zinc/16/41/09/780164109.db2.gz WFYGTDWDWJLIDC-DOTOQJQBSA-N 1 1 325.412 0.884 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042510041 780367234 /nfs/dbraw/zinc/36/72/34/780367234.db2.gz GAARGLIGLOMXSA-VNHYZAJKSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C ZINC001042621498 780542212 /nfs/dbraw/zinc/54/22/12/780542212.db2.gz RZOBYNDXNIBNIB-BMFZPTHFSA-N 1 1 338.415 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C ZINC001042621498 780542216 /nfs/dbraw/zinc/54/22/16/780542216.db2.gz RZOBYNDXNIBNIB-BMFZPTHFSA-N 1 1 338.415 0.387 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001042661324 780604018 /nfs/dbraw/zinc/60/40/18/780604018.db2.gz RJHLLHSNYUKLBC-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001042661609 780605085 /nfs/dbraw/zinc/60/50/85/780605085.db2.gz XQKUMDCGDUQCQI-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001042747016 780736396 /nfs/dbraw/zinc/73/63/96/780736396.db2.gz YFTZAEOXTNSVTO-FVQBIDKESA-N 1 1 334.464 0.256 20 30 ECEDMO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001079141606 780806637 /nfs/dbraw/zinc/80/66/37/780806637.db2.gz OSPOCQBRNDVDJO-ZRSRNVLSSA-N 1 1 340.423 0.586 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001079141606 780806648 /nfs/dbraw/zinc/80/66/48/780806648.db2.gz OSPOCQBRNDVDJO-ZRSRNVLSSA-N 1 1 340.423 0.586 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC3(CCN(CC#N)CC3)[C@H]3COC[C@H]32)C1 ZINC001079273767 780950052 /nfs/dbraw/zinc/95/00/52/780950052.db2.gz PGHUWFZJOOEBEE-OWCLPIDISA-N 1 1 332.448 0.401 20 30 ECEDMO CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042861030 780955285 /nfs/dbraw/zinc/95/52/85/780955285.db2.gz MWNCRWMYKVUFKY-MGPQQGTHSA-N 1 1 344.419 0.010 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001079343416 781006859 /nfs/dbraw/zinc/00/68/59/781006859.db2.gz GNDRKURBUHLERL-UHFFFAOYSA-N 1 1 335.433 0.508 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccncc3)C2)C1=O ZINC001079354124 781019574 /nfs/dbraw/zinc/01/95/74/781019574.db2.gz GPCGDIDSRMQTFL-BMFZPTHFSA-N 1 1 328.416 0.919 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccncc3)C2)C1=O ZINC001079354124 781019582 /nfs/dbraw/zinc/01/95/82/781019582.db2.gz GPCGDIDSRMQTFL-BMFZPTHFSA-N 1 1 328.416 0.919 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001042930083 781056193 /nfs/dbraw/zinc/05/61/93/781056193.db2.gz LHTZHBMGKLBJDH-HUUCEWRRSA-N 1 1 340.387 0.478 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCCOC)C1 ZINC001079384505 781057617 /nfs/dbraw/zinc/05/76/17/781057617.db2.gz MNCUDDMZQYGSRJ-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCCOC)C1 ZINC001079384505 781057623 /nfs/dbraw/zinc/05/76/23/781057623.db2.gz MNCUDDMZQYGSRJ-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001079388841 781064160 /nfs/dbraw/zinc/06/41/60/781064160.db2.gz UICUZVPMHYLMDX-BMFZPTHFSA-N 1 1 344.415 0.157 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001079388841 781064167 /nfs/dbraw/zinc/06/41/67/781064167.db2.gz UICUZVPMHYLMDX-BMFZPTHFSA-N 1 1 344.415 0.157 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001042965832 781111606 /nfs/dbraw/zinc/11/16/06/781111606.db2.gz KEITZVPZVSFTNX-UHFFFAOYSA-N 1 1 346.431 0.426 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C)COC)C1 ZINC001079488695 781175614 /nfs/dbraw/zinc/17/56/14/781175614.db2.gz GJEKQFUMMIAKRZ-ZBFHGGJFSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C)COC)C1 ZINC001079488695 781175620 /nfs/dbraw/zinc/17/56/20/781175620.db2.gz GJEKQFUMMIAKRZ-ZBFHGGJFSA-N 1 1 335.448 0.426 20 30 ECEDMO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001079491679 781178497 /nfs/dbraw/zinc/17/84/97/781178497.db2.gz QXKSSVRWUSZZDZ-SFHVURJKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCOCC(=O)N(CC)C1CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001079491718 781178685 /nfs/dbraw/zinc/17/86/85/781178685.db2.gz SMKFYOMHAMETGO-UHFFFAOYSA-N 1 1 325.453 0.980 20 30 ECEDMO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079543411 781246887 /nfs/dbraw/zinc/24/68/87/781246887.db2.gz AARTTZPDRYVUCU-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C(Br)CN1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043067753 781267783 /nfs/dbraw/zinc/26/77/83/781267783.db2.gz OZGIKUFJURKLCT-DGCLKSJQSA-N 1 1 346.269 0.757 20 30 ECEDMO C=C(Br)CN1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043067753 781267789 /nfs/dbraw/zinc/26/77/89/781267789.db2.gz OZGIKUFJURKLCT-DGCLKSJQSA-N 1 1 346.269 0.757 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)nc1 ZINC001077632460 781388286 /nfs/dbraw/zinc/38/82/86/781388286.db2.gz RODWRIYXEHPHAS-ZFWWWQNUSA-N 1 1 328.416 0.639 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001041417300 781464293 /nfs/dbraw/zinc/46/42/93/781464293.db2.gz FFUDINXBWQZVFU-IBGZPJMESA-N 1 1 348.491 0.651 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041424356 781478040 /nfs/dbraw/zinc/47/80/40/781478040.db2.gz ZOHVVYHRNJMFGN-KBXCAEBGSA-N 1 1 343.431 0.494 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@H]1O ZINC001077694339 781530188 /nfs/dbraw/zinc/53/01/88/781530188.db2.gz NBYVYXISSSAKGM-TVFCKZIOSA-N 1 1 346.427 0.948 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@H]1O ZINC001077694339 781530194 /nfs/dbraw/zinc/53/01/94/781530194.db2.gz NBYVYXISSSAKGM-TVFCKZIOSA-N 1 1 346.427 0.948 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451642 781544743 /nfs/dbraw/zinc/54/47/43/781544743.db2.gz OSPGFLLUAAFEIT-GOEBONIOSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCCCC)C1 ZINC001041490726 781620798 /nfs/dbraw/zinc/62/07/98/781620798.db2.gz RTNHUNXDFJBNBY-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCCCC)C1 ZINC001041490726 781620803 /nfs/dbraw/zinc/62/08/03/781620803.db2.gz RTNHUNXDFJBNBY-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2c3ccccc3CC2=O)C1 ZINC001077739449 781629101 /nfs/dbraw/zinc/62/91/01/781629101.db2.gz SGUJSEMPOTVDMI-NVXWUHKLSA-N 1 1 343.427 0.703 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001077828998 781771439 /nfs/dbraw/zinc/77/14/39/781771439.db2.gz NKBHZHOSOKZMAE-MWLCHTKSSA-N 1 1 334.405 0.279 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2NC(C)=O)C1 ZINC001077859637 781828009 /nfs/dbraw/zinc/82/80/09/781828009.db2.gz PSMSMJKYMMDRBI-IAGOWNOFSA-N 1 1 331.416 0.925 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001041599628 781828719 /nfs/dbraw/zinc/82/87/19/781828719.db2.gz ISWHFUHPVDXKQD-RDTXWAMCSA-N 1 1 327.432 0.478 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2NC(C)=O)C1 ZINC001077862736 781835076 /nfs/dbraw/zinc/83/50/76/781835076.db2.gz QNHGVSXHTWQQBO-IAGOWNOFSA-N 1 1 329.400 0.372 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(c3ncccc3C#N)CCCO2)C1 ZINC001039915169 783274989 /nfs/dbraw/zinc/27/49/89/783274989.db2.gz LOFUYFMOZFLECX-HOTGVXAUSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(c3cnc(C#N)cn3)CCCO2)C1 ZINC001039915786 783276587 /nfs/dbraw/zinc/27/65/87/783276587.db2.gz VKZCZAQGSFOWQE-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@]3(CCN(C(=O)COC)C3)C2)C1=O ZINC001040029290 783414401 /nfs/dbraw/zinc/41/44/01/783414401.db2.gz JVYCMCFBVXOESI-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001040822018 783508117 /nfs/dbraw/zinc/50/81/17/783508117.db2.gz IDDFZLDWNHVFGG-IJEWVQPXSA-N 1 1 340.431 0.870 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1 ZINC001040824849 783513397 /nfs/dbraw/zinc/51/33/97/783513397.db2.gz FPBQVWSTNBWXDW-OFQRWUPVSA-N 1 1 340.431 0.727 20 30 ECEDMO CC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001037817824 783607445 /nfs/dbraw/zinc/60/74/45/783607445.db2.gz TUYQAWOPVNUBGY-OLZOCXBDSA-N 1 1 342.407 0.440 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@@H]1n1ccnn1 ZINC001070201307 783647651 /nfs/dbraw/zinc/64/76/51/783647651.db2.gz MXEVXANIEYSCGW-KGLIPLIRSA-N 1 1 338.375 0.391 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001070206142 783655303 /nfs/dbraw/zinc/65/53/03/783655303.db2.gz IOJFYCNMMZAKKN-PMPSAXMXSA-N 1 1 330.436 0.127 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001070206142 783655306 /nfs/dbraw/zinc/65/53/06/783655306.db2.gz IOJFYCNMMZAKKN-PMPSAXMXSA-N 1 1 330.436 0.127 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@@H]1n1ccnn1 ZINC001070234918 783713667 /nfs/dbraw/zinc/71/36/67/783713667.db2.gz OFWJPTPLLKZWPD-CVEARBPZSA-N 1 1 335.371 0.214 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070241679 783726798 /nfs/dbraw/zinc/72/67/98/783726798.db2.gz SUTFHBYHRQNNLN-IKGGRYGDSA-N 1 1 342.447 0.127 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)C[N@H+]2CCC[C@H]2C)CCOCC1 ZINC001070252377 783745542 /nfs/dbraw/zinc/74/55/42/783745542.db2.gz CURKBUCMUPDKNQ-MRXNPFEDSA-N 1 1 349.475 0.912 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2COCCO2)cc1 ZINC001038059372 783806370 /nfs/dbraw/zinc/80/63/70/783806370.db2.gz UPNPQPCMYVXKBL-RDJZCZTQSA-N 1 1 345.399 0.695 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2COCCO2)cc1 ZINC001038059372 783806379 /nfs/dbraw/zinc/80/63/79/783806379.db2.gz UPNPQPCMYVXKBL-RDJZCZTQSA-N 1 1 345.399 0.695 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2=COCCO2)C1 ZINC001070391845 783945877 /nfs/dbraw/zinc/94/58/77/783945877.db2.gz GEDCZYQBIPPXOP-ZDUSSCGKSA-N 1 1 330.388 0.727 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H]2CCNC(=O)CC2)[nH]1 ZINC001038173232 783948785 /nfs/dbraw/zinc/94/87/85/783948785.db2.gz NDDOKTSTTLHPRI-JSGCOSHPSA-N 1 1 329.404 0.607 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038177370 783955438 /nfs/dbraw/zinc/95/54/38/783955438.db2.gz JRQAWXQVPKVFOT-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038177370 783955442 /nfs/dbraw/zinc/95/54/42/783955442.db2.gz JRQAWXQVPKVFOT-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCO2)C1 ZINC001070397485 783961640 /nfs/dbraw/zinc/96/16/40/783961640.db2.gz CLXWGMNGTAYTRL-ZFWWWQNUSA-N 1 1 334.420 0.807 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2C)C1 ZINC001070397718 783962904 /nfs/dbraw/zinc/96/29/04/783962904.db2.gz IDJOYWBBBHNODV-CYBMUJFWSA-N 1 1 326.404 0.804 20 30 ECEDMO COCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001070405095 783983048 /nfs/dbraw/zinc/98/30/48/783983048.db2.gz YRDHOUJVSAUYRU-LBPRGKRZSA-N 1 1 342.403 0.975 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(CC)n2)C1 ZINC001070408386 783993110 /nfs/dbraw/zinc/99/31/10/783993110.db2.gz QEYOGMSTGXWLAP-LBPRGKRZSA-N 1 1 327.392 0.374 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnc[nH]c2=O)C1 ZINC001070413148 784009165 /nfs/dbraw/zinc/00/91/65/784009165.db2.gz URMZUNOWTWOPHN-NSHDSACASA-N 1 1 326.360 0.258 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001070416886 784020222 /nfs/dbraw/zinc/02/02/22/784020222.db2.gz QQSWWDRGBJAEPM-LLVKDONJSA-N 1 1 341.371 0.454 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001070418630 784023656 /nfs/dbraw/zinc/02/36/56/784023656.db2.gz TZPJCMJPVIJOKU-ZIAGYGMSSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2[nH]nnc2C)C1 ZINC001070419981 784027907 /nfs/dbraw/zinc/02/79/07/784027907.db2.gz MTGBMRXEJFDTQU-LBPRGKRZSA-N 1 1 327.392 0.579 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001070426830 784043170 /nfs/dbraw/zinc/04/31/70/784043170.db2.gz ZPXDJFFYPJVLDP-HZSPNIEDSA-N 1 1 343.431 0.350 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(OC)nn2)C1 ZINC001070430869 784049849 /nfs/dbraw/zinc/04/98/49/784049849.db2.gz FXZJXFJTXIADDU-GFCCVEGCSA-N 1 1 340.387 0.561 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(CC)cn2)C1 ZINC001070432960 784058299 /nfs/dbraw/zinc/05/82/99/784058299.db2.gz WHAZOWGYWCZPKW-CYBMUJFWSA-N 1 1 326.404 0.979 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cn[nH]c1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441238 784080407 /nfs/dbraw/zinc/08/04/07/784080407.db2.gz QZEOANKZJLNOBX-ZDUSSCGKSA-N 1 1 327.392 0.564 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)OC)C[C@H]2c1nnc(C)[nH]1 ZINC001070442171 784083974 /nfs/dbraw/zinc/08/39/74/784083974.db2.gz DEFHWDRIQHVTOO-UONOGXRCSA-N 1 1 333.436 0.952 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442248 784084056 /nfs/dbraw/zinc/08/40/56/784084056.db2.gz FTGNDGVHERXGSG-LSDHHAIUSA-N 1 1 344.463 0.621 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070444942 784096053 /nfs/dbraw/zinc/09/60/53/784096053.db2.gz XYBWFRKSHBXAIK-HNNXBMFYSA-N 1 1 325.416 0.940 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C1CC(OC)C1)C[C@H]2c1nnc(C)[nH]1 ZINC001070445479 784096581 /nfs/dbraw/zinc/09/65/81/784096581.db2.gz BYENXOMOKZFPOL-NRXISQOPSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C(C)(C)C(N)=O)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446229 784100582 /nfs/dbraw/zinc/10/05/82/784100582.db2.gz XCQQDGQQRYDWEP-GFCCVEGCSA-N 1 1 346.435 0.038 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001070919801 784115319 /nfs/dbraw/zinc/11/53/19/784115319.db2.gz VDPGTTGJPYNDQT-XQQFMLRXSA-N 1 1 346.391 0.100 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001070519693 784221939 /nfs/dbraw/zinc/22/19/39/784221939.db2.gz OXUCJCHPMYLZOC-WMLDXEAASA-N 1 1 340.431 0.927 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001070963586 784244889 /nfs/dbraw/zinc/24/48/89/784244889.db2.gz YIDNBXLBTAQSOQ-DLBZAZTESA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nc(C)c2)CC1 ZINC001070967990 784258948 /nfs/dbraw/zinc/25/89/48/784258948.db2.gz IFXDKXPKVNTPHB-UHFFFAOYSA-N 1 1 342.443 0.986 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nc(C)c2)CC1 ZINC001070967990 784258950 /nfs/dbraw/zinc/25/89/50/784258950.db2.gz IFXDKXPKVNTPHB-UHFFFAOYSA-N 1 1 342.443 0.986 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc3n2CCC3)CC1 ZINC001070970527 784270098 /nfs/dbraw/zinc/27/00/98/784270098.db2.gz JUOWXUMUHPBTIP-UHFFFAOYSA-N 1 1 345.447 0.670 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc3n2CCC3)CC1 ZINC001070970527 784270105 /nfs/dbraw/zinc/27/01/05/784270105.db2.gz JUOWXUMUHPBTIP-UHFFFAOYSA-N 1 1 345.447 0.670 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001070972813 784280161 /nfs/dbraw/zinc/28/01/61/784280161.db2.gz NHUJQTNNEDJQND-DLBZAZTESA-N 1 1 346.475 0.287 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1 ZINC001070568064 784285321 /nfs/dbraw/zinc/28/53/21/784285321.db2.gz XGVKJBGBPYAILZ-USXIJHARSA-N 1 1 344.463 0.702 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cncnc2)CC1 ZINC001070980232 784307559 /nfs/dbraw/zinc/30/75/59/784307559.db2.gz WAJIFZALVFNFTR-UHFFFAOYSA-N 1 1 345.447 0.636 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCC(=O)NCC[N@@H+](C[C@H](C)O)CC1 ZINC001070995211 784352926 /nfs/dbraw/zinc/35/29/26/784352926.db2.gz WCCJOFVBQBWNPZ-WMLDXEAASA-N 1 1 325.453 0.620 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCC(=O)NCC[N@H+](C[C@H](C)O)CC1 ZINC001070995211 784352930 /nfs/dbraw/zinc/35/29/30/784352930.db2.gz WCCJOFVBQBWNPZ-WMLDXEAASA-N 1 1 325.453 0.620 20 30 ECEDMO C=C1CCC(C(=O)N2CCC(=O)NCC[N@@H+](C[C@@H](C)O)CC2)CC1 ZINC001070995081 784353415 /nfs/dbraw/zinc/35/34/15/784353415.db2.gz QNJXAWGNTWRQRH-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C1CCC(C(=O)N2CCC(=O)NCC[N@H+](C[C@@H](C)O)CC2)CC1 ZINC001070995081 784353424 /nfs/dbraw/zinc/35/34/24/784353424.db2.gz QNJXAWGNTWRQRH-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001070997872 784362388 /nfs/dbraw/zinc/36/23/88/784362388.db2.gz YOOIDIUXMHYJSS-UHFFFAOYSA-N 1 1 336.823 0.956 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001070997872 784362399 /nfs/dbraw/zinc/36/23/99/784362399.db2.gz YOOIDIUXMHYJSS-UHFFFAOYSA-N 1 1 336.823 0.956 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001071000084 784372120 /nfs/dbraw/zinc/37/21/20/784372120.db2.gz MXRGDKDZZURUJZ-JKSUJKDBSA-N 1 1 336.480 0.411 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001071000084 784372130 /nfs/dbraw/zinc/37/21/30/784372130.db2.gz MXRGDKDZZURUJZ-JKSUJKDBSA-N 1 1 336.480 0.411 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2ccon2)n1 ZINC001070596006 784406901 /nfs/dbraw/zinc/40/69/01/784406901.db2.gz UITCSMHZCMIAGJ-GJZGRUSLSA-N 1 1 343.387 0.775 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 ZINC001070597906 784409716 /nfs/dbraw/zinc/40/97/16/784409716.db2.gz BHARFNWRRAEWJN-STQMWFEESA-N 1 1 335.408 0.362 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc(C)c[nH]2)n1 ZINC001070599359 784413101 /nfs/dbraw/zinc/41/31/01/784413101.db2.gz WNJKAYHXFLYUKW-KBPBESRZSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001071015817 784424021 /nfs/dbraw/zinc/42/40/21/784424021.db2.gz VFKOFAWCVLGCRR-MRXNPFEDSA-N 1 1 334.464 0.002 20 30 ECEDMO CC#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]n2)n1 ZINC001070604504 784424156 /nfs/dbraw/zinc/42/41/56/784424156.db2.gz JXKXQQSHPMGARS-QWHCGFSZSA-N 1 1 343.391 0.366 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ccnnc2)n1 ZINC001070605607 784426219 /nfs/dbraw/zinc/42/62/19/784426219.db2.gz RGQYZUVASJVDJK-LSDHHAIUSA-N 1 1 340.387 0.648 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001070701840 784568571 /nfs/dbraw/zinc/56/85/71/784568571.db2.gz ZVGKPBFXICHGTP-IAGOWNOFSA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001070701840 784568577 /nfs/dbraw/zinc/56/85/77/784568577.db2.gz ZVGKPBFXICHGTP-IAGOWNOFSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001070725630 784600645 /nfs/dbraw/zinc/60/06/45/784600645.db2.gz OLUPGYKZGFKBTD-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO COCC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C#N)c1)C[C@@H](C)O2 ZINC001071149434 784606891 /nfs/dbraw/zinc/60/68/91/784606891.db2.gz MEWSYDOLPVRXIX-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@H](C)O2 ZINC001071159483 784626576 /nfs/dbraw/zinc/62/65/76/784626576.db2.gz MOBMSRSJUICVPT-KSSFIOAISA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)C[C@@H](C)O2 ZINC001071160162 784628741 /nfs/dbraw/zinc/62/87/41/784628741.db2.gz YXQINFXLMJLPEM-NVXWUHKLSA-N 1 1 333.436 0.936 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccn(CC)n1)C[C@H](C)O2 ZINC001071172101 784655053 /nfs/dbraw/zinc/65/50/53/784655053.db2.gz XJCCSDVEEIINKB-MAUKXSAKSA-N 1 1 330.432 0.771 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3n1CCOC3)C[C@@H](C)O2 ZINC001071176235 784664808 /nfs/dbraw/zinc/66/48/08/784664808.db2.gz SVNICVFUUICNOS-KDOFPFPSSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3n[nH]nc3c1)C[C@@H](C)O2 ZINC001071176314 784664860 /nfs/dbraw/zinc/66/48/60/784664860.db2.gz UOJBGHPOKVMKDF-PXAZEXFGSA-N 1 1 342.403 0.844 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@@H](C)O2 ZINC001071183153 784683028 /nfs/dbraw/zinc/68/30/28/784683028.db2.gz KCDAEOCWKGCFGP-KDOFPFPSSA-N 1 1 329.400 0.324 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)C[C@@H](C)O2 ZINC001071185626 784689269 /nfs/dbraw/zinc/68/92/69/784689269.db2.gz JPXLAYYUTCPSJG-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)C[C@@H](C)O2 ZINC001071185626 784689272 /nfs/dbraw/zinc/68/92/72/784689272.db2.gz JPXLAYYUTCPSJG-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@H](C)O2 ZINC001071191145 784699856 /nfs/dbraw/zinc/69/98/56/784699856.db2.gz AXVFSLXQMZEQAB-KBXCAEBGSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 ZINC001071196812 784714916 /nfs/dbraw/zinc/71/49/16/784714916.db2.gz IRXRNCSNOILQJM-CZUORRHYSA-N 1 1 334.424 0.482 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)[nH]1)C[C@@H](C)O2 ZINC001071209313 784741065 /nfs/dbraw/zinc/74/10/65/784741065.db2.gz IAFYDVLVUJSTPU-DYVFJYSZSA-N 1 1 332.404 0.454 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@H](C)O2 ZINC001071209342 784741175 /nfs/dbraw/zinc/74/11/75/784741175.db2.gz IIZLXJTZZWFIOG-WMLDXEAASA-N 1 1 333.436 0.626 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)[nH]1)C[C@@H](C)O2 ZINC001071209445 784741233 /nfs/dbraw/zinc/74/12/33/784741233.db2.gz KBWJZQXWMBWBCV-DYVFJYSZSA-N 1 1 332.404 0.454 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@@H](C)O2 ZINC001071209445 784741235 /nfs/dbraw/zinc/74/12/35/784741235.db2.gz KBWJZQXWMBWBCV-DYVFJYSZSA-N 1 1 332.404 0.454 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@@H](C)O2 ZINC001071209445 784741240 /nfs/dbraw/zinc/74/12/40/784741240.db2.gz KBWJZQXWMBWBCV-DYVFJYSZSA-N 1 1 332.404 0.454 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@@H](C)O2 ZINC001071212287 784748773 /nfs/dbraw/zinc/74/87/73/784748773.db2.gz VSPWIICLRJVDKK-ACJLOTCBSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(=O)N1CCC(C)CC1)C[C@H](C)O2 ZINC001071219813 784766801 /nfs/dbraw/zinc/76/68/01/784766801.db2.gz YNJHCSBAJURKFQ-LPHOPBHVSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(CC)n1)C[C@H](C)O2 ZINC001071220312 784767964 /nfs/dbraw/zinc/76/79/64/784767964.db2.gz FJSWAPMPNBYOAU-KBXCAEBGSA-N 1 1 346.431 0.755 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(CC)n1)C[C@@H](C)O2 ZINC001071220761 784769852 /nfs/dbraw/zinc/76/98/52/784769852.db2.gz IZHUIZBXCFOXJU-KDOFPFPSSA-N 1 1 344.415 0.202 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cnccc1=O)C[C@H](C)O2 ZINC001071225790 784782165 /nfs/dbraw/zinc/78/21/65/784782165.db2.gz PSXGJFZUFZEELI-YJBOKZPZSA-N 1 1 346.431 0.511 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)C[C@H](C)O2 ZINC001071227199 784785271 /nfs/dbraw/zinc/78/52/71/784785271.db2.gz ATXFTBWPWKQFCK-IFXJQAMLSA-N 1 1 342.443 0.847 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@@H](C)O2 ZINC001071227495 784786572 /nfs/dbraw/zinc/78/65/72/784786572.db2.gz GJCZOWCEJGVREW-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001070890136 784795808 /nfs/dbraw/zinc/79/58/08/784795808.db2.gz VRBRLDLMEJOKOS-HUUCEWRRSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@H](C)O2 ZINC001071233518 784797847 /nfs/dbraw/zinc/79/78/47/784797847.db2.gz KBJJBOMOUMSXDL-GUYCJALGSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@H](C)O2 ZINC001071233518 784797852 /nfs/dbraw/zinc/79/78/52/784797852.db2.gz KBJJBOMOUMSXDL-GUYCJALGSA-N 1 1 332.404 0.367 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@@H](C)O2 ZINC001071237761 784806391 /nfs/dbraw/zinc/80/63/91/784806391.db2.gz CIQWGNADMFWPEM-KDOFPFPSSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CCN(C(C)=O)CC1)C[C@@H](C)O2 ZINC001071238293 784806695 /nfs/dbraw/zinc/80/66/95/784806695.db2.gz LJNGBAPZKQVMOJ-DNVCBOLYSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)C[C@@H](C)O2 ZINC001071240614 784813874 /nfs/dbraw/zinc/81/38/74/784813874.db2.gz IQCXUYWUEWZICQ-FZKQIMNGSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)C[C@@H](C)O2 ZINC001071240614 784813881 /nfs/dbraw/zinc/81/38/81/784813881.db2.gz IQCXUYWUEWZICQ-FZKQIMNGSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cncnc1CC)C[C@@H](C)O2 ZINC001071241130 784815651 /nfs/dbraw/zinc/81/56/51/784815651.db2.gz PDJOGEUUOXRMJO-KDOFPFPSSA-N 1 1 328.416 0.978 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncnc1CC)C[C@@H](C)O2 ZINC001071241130 784815660 /nfs/dbraw/zinc/81/56/60/784815660.db2.gz PDJOGEUUOXRMJO-KDOFPFPSSA-N 1 1 328.416 0.978 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 ZINC001071272791 784907293 /nfs/dbraw/zinc/90/72/93/784907293.db2.gz XHDFNDUFDYGJIY-JKSUJKDBSA-N 1 1 347.463 0.129 20 30 ECEDMO C=C(C)CC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 ZINC001071275337 784915617 /nfs/dbraw/zinc/91/56/17/784915617.db2.gz CUHUZQYJIVYADI-CQSZACIVSA-N 1 1 346.435 0.520 20 30 ECEDMO C=C(C)CC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 ZINC001071275337 784915620 /nfs/dbraw/zinc/91/56/20/784915620.db2.gz CUHUZQYJIVYADI-CQSZACIVSA-N 1 1 346.435 0.520 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C ZINC001071861461 785235167 /nfs/dbraw/zinc/23/51/67/785235167.db2.gz PRJOTJWBTZRTMS-UONOGXRCSA-N 1 1 348.447 0.633 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)Cn2ncn3nccc3c2=O)CC[C@H]1C ZINC001071862039 785235371 /nfs/dbraw/zinc/23/53/71/785235371.db2.gz UUUZXWACZMXMAQ-CHWSQXEVSA-N 1 1 330.392 0.046 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)C2CCS(=O)(=O)CC2)CC[C@H]1C ZINC001071862789 785236460 /nfs/dbraw/zinc/23/64/60/785236460.db2.gz ZXAPAUNLKNFDOJ-UKRRQHHQSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C2CCS(=O)(=O)CC2)CC[C@H]1C ZINC001071862789 785236463 /nfs/dbraw/zinc/23/64/63/785236463.db2.gz ZXAPAUNLKNFDOJ-UKRRQHHQSA-N 1 1 326.462 0.804 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071874134 785251413 /nfs/dbraw/zinc/25/14/13/785251413.db2.gz GERUFAMUKCBPNS-WBMJQRKESA-N 1 1 343.431 0.947 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001071874534 785253047 /nfs/dbraw/zinc/25/30/47/785253047.db2.gz KZHQDOWRPACPSO-WFASDCNBSA-N 1 1 331.420 0.805 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001068764053 791097189 /nfs/dbraw/zinc/09/71/89/791097189.db2.gz ICEWRGVWJZMRTD-CABCVRRESA-N 1 1 333.432 0.370 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1C ZINC001071548575 785283781 /nfs/dbraw/zinc/28/37/81/785283781.db2.gz HWWUPXJWBBLMGX-CABCVRRESA-N 1 1 348.447 0.482 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1C ZINC001071548820 785285254 /nfs/dbraw/zinc/28/52/54/785285254.db2.gz MCESIHKAROPTQT-KGLIPLIRSA-N 1 1 334.420 0.092 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1C ZINC001071549410 785286470 /nfs/dbraw/zinc/28/64/70/785286470.db2.gz QJUJRPRDKJCEIT-ZIAGYGMSSA-N 1 1 334.420 0.092 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC[C@H]1C ZINC001071896328 785288741 /nfs/dbraw/zinc/28/87/41/785288741.db2.gz FRXOFHDEXJRILN-ZIAGYGMSSA-N 1 1 341.415 0.937 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001068764098 791098186 /nfs/dbraw/zinc/09/81/86/791098186.db2.gz JJZCLEBKRWOHSL-GJZGRUSLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC[C@H]1C ZINC001071931690 785356005 /nfs/dbraw/zinc/35/60/05/785356005.db2.gz YWQHHJQGFDTWPH-YPMHNXCESA-N 1 1 332.404 0.731 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC[C@H]1C ZINC001071608676 785391219 /nfs/dbraw/zinc/39/12/19/785391219.db2.gz CPKMDBPVMCERKS-HIFRSBDPSA-N 1 1 328.416 0.715 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccc(OC)nn32)CC[C@@H]1C ZINC001071618786 785404138 /nfs/dbraw/zinc/40/41/38/785404138.db2.gz DRVSAOVJPBYVPF-STQMWFEESA-N 1 1 327.388 0.954 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3ccc(OC)nn32)CC[C@@H]1C ZINC001071618786 785404145 /nfs/dbraw/zinc/40/41/45/785404145.db2.gz DRVSAOVJPBYVPF-STQMWFEESA-N 1 1 327.388 0.954 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C ZINC001071619723 785405708 /nfs/dbraw/zinc/40/57/08/785405708.db2.gz TWKGVTHQYNUERA-CVEARBPZSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1C ZINC001071966486 785432740 /nfs/dbraw/zinc/43/27/40/785432740.db2.gz FLTZBYFWASFWRS-CHWSQXEVSA-N 1 1 336.436 0.862 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@@H]1C ZINC001071968522 785437082 /nfs/dbraw/zinc/43/70/82/785437082.db2.gz VYKLZTVDFRRRRN-LSDHHAIUSA-N 1 1 345.447 0.374 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071657470 785461704 /nfs/dbraw/zinc/46/17/04/785461704.db2.gz DVECNXDCKNJJDT-YPMHNXCESA-N 1 1 335.433 0.411 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071658825 785465418 /nfs/dbraw/zinc/46/54/18/785465418.db2.gz PXRMJSAMUJZMED-WCQYABFASA-N 1 1 335.433 0.411 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)CC[C@@H]1C ZINC001072030457 785552054 /nfs/dbraw/zinc/55/20/54/785552054.db2.gz PTDOXIYMDINZSX-RYUDHWBXSA-N 1 1 325.372 0.946 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)CC[C@@H]1C ZINC001072030457 785552058 /nfs/dbraw/zinc/55/20/58/785552058.db2.gz PTDOXIYMDINZSX-RYUDHWBXSA-N 1 1 325.372 0.946 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@H]1C ZINC001071702308 785556243 /nfs/dbraw/zinc/55/62/43/785556243.db2.gz XMPPRMGBVMGAPF-KGLIPLIRSA-N 1 1 339.403 0.663 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C ZINC001072055467 785587019 /nfs/dbraw/zinc/58/70/19/785587019.db2.gz UZUYJHVDCZKNLV-KBPBESRZSA-N 1 1 336.436 0.816 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001071746545 785629838 /nfs/dbraw/zinc/62/98/38/785629838.db2.gz YTKQBEIFEHUAFP-WFASDCNBSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001071746545 785629842 /nfs/dbraw/zinc/62/98/42/785629842.db2.gz YTKQBEIFEHUAFP-WFASDCNBSA-N 1 1 339.403 0.865 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001072499069 786286837 /nfs/dbraw/zinc/28/68/37/786286837.db2.gz RUOYKTUHHPEMEZ-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@H]4CCC[N@H+]4C)C3)C2)C1=O ZINC001072553644 786358277 /nfs/dbraw/zinc/35/82/77/786358277.db2.gz GGZXUPRMGBXRAV-HZPDHXFCSA-N 1 1 346.475 0.402 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@H]4CCC[N@@H+]4C)C3)C2)C1=O ZINC001072553644 786358282 /nfs/dbraw/zinc/35/82/82/786358282.db2.gz GGZXUPRMGBXRAV-HZPDHXFCSA-N 1 1 346.475 0.402 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@H]21 ZINC001074224918 786463616 /nfs/dbraw/zinc/46/36/16/786463616.db2.gz AJMHBARHWNLFPU-SJORKVTESA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@H]21 ZINC001074224918 786463618 /nfs/dbraw/zinc/46/36/18/786463618.db2.gz AJMHBARHWNLFPU-SJORKVTESA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@@H]21 ZINC001074297813 786624812 /nfs/dbraw/zinc/62/48/12/786624812.db2.gz UXOOKNMHOXTALM-GJZGRUSLSA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@@H]21 ZINC001074297813 786624816 /nfs/dbraw/zinc/62/48/16/786624816.db2.gz UXOOKNMHOXTALM-GJZGRUSLSA-N 1 1 342.403 0.616 20 30 ECEDMO Cn1cc(C[N@@H+]2CCCO[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001073567000 786626466 /nfs/dbraw/zinc/62/64/66/786626466.db2.gz ZUVXHMKIYISYNE-OAHLLOKOSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1cc(C[N@H+]2CCCO[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001073567000 786626471 /nfs/dbraw/zinc/62/64/71/786626471.db2.gz ZUVXHMKIYISYNE-OAHLLOKOSA-N 1 1 342.403 0.641 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 ZINC001074301550 786630025 /nfs/dbraw/zinc/63/00/25/786630025.db2.gz CKOSYXWTGLJRDP-CVEARBPZSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 ZINC001074301550 786630029 /nfs/dbraw/zinc/63/00/29/786630029.db2.gz CKOSYXWTGLJRDP-CVEARBPZSA-N 1 1 346.431 0.662 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2C[N@@H+](CCn3cccn3)CCCO2)c[nH]1 ZINC001073575136 786654743 /nfs/dbraw/zinc/65/47/43/786654743.db2.gz BHXIYLAMBAPXPG-INIZCTEOSA-N 1 1 342.403 0.604 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001073603439 786753824 /nfs/dbraw/zinc/75/38/24/786753824.db2.gz GYAYMBGAUPAWEW-GDBMZVCRSA-N 1 1 348.447 0.853 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001073603439 786753832 /nfs/dbraw/zinc/75/38/32/786753832.db2.gz GYAYMBGAUPAWEW-GDBMZVCRSA-N 1 1 348.447 0.853 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnn2CC(F)F)C1 ZINC001073604141 786756512 /nfs/dbraw/zinc/75/65/12/786756512.db2.gz YFNHZNKNBQPCHU-GFCCVEGCSA-N 1 1 326.347 0.602 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnn2CC(F)F)C1 ZINC001073604141 786756519 /nfs/dbraw/zinc/75/65/19/786756519.db2.gz YFNHZNKNBQPCHU-GFCCVEGCSA-N 1 1 326.347 0.602 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001074364367 786764564 /nfs/dbraw/zinc/76/45/64/786764564.db2.gz WOVGJEQYPAZBND-HOTGVXAUSA-N 1 1 346.431 0.755 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001074364367 786764573 /nfs/dbraw/zinc/76/45/73/786764573.db2.gz WOVGJEQYPAZBND-HOTGVXAUSA-N 1 1 346.431 0.755 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc3c2OCCO3)C1 ZINC001073627253 786805144 /nfs/dbraw/zinc/80/51/44/786805144.db2.gz KRZRKFPXIZPFKM-AWEZNQCLSA-N 1 1 330.384 0.912 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3c2OCCO3)C1 ZINC001073627253 786805149 /nfs/dbraw/zinc/80/51/49/786805149.db2.gz KRZRKFPXIZPFKM-AWEZNQCLSA-N 1 1 330.384 0.912 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001073630534 786815152 /nfs/dbraw/zinc/81/51/52/786815152.db2.gz XKZXETZQPPNPGA-MRXNPFEDSA-N 1 1 344.415 0.884 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001073630533 786815736 /nfs/dbraw/zinc/81/57/36/786815736.db2.gz XKZXETZQPPNPGA-INIZCTEOSA-N 1 1 344.415 0.884 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@H]21 ZINC001074384666 786818923 /nfs/dbraw/zinc/81/89/23/786818923.db2.gz KAZPDNSYORVUBH-CVEARBPZSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@H]21 ZINC001074384666 786818928 /nfs/dbraw/zinc/81/89/28/786818928.db2.gz KAZPDNSYORVUBH-CVEARBPZSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3nccnc3c2)C1 ZINC001073636629 786834139 /nfs/dbraw/zinc/83/41/39/786834139.db2.gz CGBVNGYCGNBKSY-AWEZNQCLSA-N 1 1 325.372 0.479 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3nccnc3c2)C1 ZINC001073636629 786834147 /nfs/dbraw/zinc/83/41/47/786834147.db2.gz CGBVNGYCGNBKSY-AWEZNQCLSA-N 1 1 325.372 0.479 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001073639960 786845783 /nfs/dbraw/zinc/84/57/83/786845783.db2.gz OOWGFKKIATZWAX-CQSZACIVSA-N 1 1 345.399 0.697 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 ZINC001074401152 786859134 /nfs/dbraw/zinc/85/91/34/786859134.db2.gz YZTNZWIWDJMITE-LSDHHAIUSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 ZINC001074401152 786859142 /nfs/dbraw/zinc/85/91/42/786859142.db2.gz YZTNZWIWDJMITE-LSDHHAIUSA-N 1 1 332.404 0.272 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001073660745 786902406 /nfs/dbraw/zinc/90/24/06/786902406.db2.gz NJBDTABNTMZCPZ-JKSUJKDBSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001073660745 786902412 /nfs/dbraw/zinc/90/24/12/786902412.db2.gz NJBDTABNTMZCPZ-JKSUJKDBSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001073667324 786917713 /nfs/dbraw/zinc/91/77/13/786917713.db2.gz COUMBSCMXOUFOR-INIZCTEOSA-N 1 1 341.415 0.882 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 ZINC001074419717 786929045 /nfs/dbraw/zinc/92/90/45/786929045.db2.gz QAAYTCDLPXSAGS-CVEARBPZSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 ZINC001074419717 786929048 /nfs/dbraw/zinc/92/90/48/786929048.db2.gz QAAYTCDLPXSAGS-CVEARBPZSA-N 1 1 333.436 0.626 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2c(OC)ccnc2OC)C1 ZINC001073690631 786976231 /nfs/dbraw/zinc/97/62/31/786976231.db2.gz BXHMPEGSZUCIOQ-CQSZACIVSA-N 1 1 347.415 0.943 20 30 ECEDMO CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700510 787000272 /nfs/dbraw/zinc/00/02/72/787000272.db2.gz OGMSMPDVMMTZOI-DHADLLTHSA-N 1 1 347.459 0.080 20 30 ECEDMO CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700510 787000284 /nfs/dbraw/zinc/00/02/84/787000284.db2.gz OGMSMPDVMMTZOI-DHADLLTHSA-N 1 1 347.459 0.080 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001073703378 787007602 /nfs/dbraw/zinc/00/76/02/787007602.db2.gz MYCUKZHYVMGTLB-LSDHHAIUSA-N 1 1 333.436 0.624 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001073712714 787027199 /nfs/dbraw/zinc/02/71/99/787027199.db2.gz KEZDHJKLJRKGIY-GJZGRUSLSA-N 1 1 346.431 0.758 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001073716546 787040594 /nfs/dbraw/zinc/04/05/94/787040594.db2.gz FYMMFPUYXSNXHA-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001073716546 787040603 /nfs/dbraw/zinc/04/06/03/787040603.db2.gz FYMMFPUYXSNXHA-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073740133 787090735 /nfs/dbraw/zinc/09/07/35/787090735.db2.gz BWTZJBSZFSLCBY-DLBZAZTESA-N 1 1 339.480 0.879 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073740133 787090743 /nfs/dbraw/zinc/09/07/43/787090743.db2.gz BWTZJBSZFSLCBY-DLBZAZTESA-N 1 1 339.480 0.879 20 30 ECEDMO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073740954 787094554 /nfs/dbraw/zinc/09/45/54/787094554.db2.gz MBABCOLCAWAIBC-SJORKVTESA-N 1 1 339.480 0.879 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073740954 787094561 /nfs/dbraw/zinc/09/45/61/787094561.db2.gz MBABCOLCAWAIBC-SJORKVTESA-N 1 1 339.480 0.879 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001073741732 787099595 /nfs/dbraw/zinc/09/95/95/787099595.db2.gz WPZZRILVFWAKME-ZFWWWQNUSA-N 1 1 332.404 0.715 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001073741732 787099601 /nfs/dbraw/zinc/09/96/01/787099601.db2.gz WPZZRILVFWAKME-ZFWWWQNUSA-N 1 1 332.404 0.715 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001073745919 787111246 /nfs/dbraw/zinc/11/12/46/787111246.db2.gz KYERSCYCXSNLPH-NSHDSACASA-N 1 1 329.360 0.117 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001073745919 787111250 /nfs/dbraw/zinc/11/12/50/787111250.db2.gz KYERSCYCXSNLPH-NSHDSACASA-N 1 1 329.360 0.117 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001074518351 787153196 /nfs/dbraw/zinc/15/31/96/787153196.db2.gz GJXAXBFEVQKQCA-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001073772718 787175190 /nfs/dbraw/zinc/17/51/90/787175190.db2.gz WIPYAPRMCJVELC-AWEZNQCLSA-N 1 1 344.415 0.333 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001073781811 787191275 /nfs/dbraw/zinc/19/12/75/787191275.db2.gz OYJRESCAMCJRLJ-AWEZNQCLSA-N 1 1 348.447 0.748 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)c3cc(CC)[nH]n3)[C@H]2C)C1=O ZINC001074538864 787207797 /nfs/dbraw/zinc/20/77/97/787207797.db2.gz OUOBJHGHLHXKLV-AEGPPILISA-N 1 1 345.447 0.952 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)cc1 ZINC001073801742 787231092 /nfs/dbraw/zinc/23/10/92/787231092.db2.gz TWNIPNOZDSZPHX-SFHVURJKSA-N 1 1 346.427 0.902 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[N@@H+](C[C@H](C)OC)CCCO2)nn1 ZINC001073807414 787238657 /nfs/dbraw/zinc/23/86/57/787238657.db2.gz OGIAPMVXBGUXOS-KBPBESRZSA-N 1 1 337.424 0.320 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001073816593 787252612 /nfs/dbraw/zinc/25/26/12/787252612.db2.gz DDNLTIQPTMCSAG-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001074578501 787305994 /nfs/dbraw/zinc/30/59/94/787305994.db2.gz DXJXZHOWTFQUAF-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001073837831 787318731 /nfs/dbraw/zinc/31/87/31/787318731.db2.gz VJECXALFCDTOLD-UONOGXRCSA-N 1 1 330.432 0.988 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001073837831 787318740 /nfs/dbraw/zinc/31/87/40/787318740.db2.gz VJECXALFCDTOLD-UONOGXRCSA-N 1 1 330.432 0.988 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074581993 787322890 /nfs/dbraw/zinc/32/28/90/787322890.db2.gz BUNIWKXTZPVJOI-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2scc3c2OCCO3)C1 ZINC001073844662 787336517 /nfs/dbraw/zinc/33/65/17/787336517.db2.gz XNTJBIAGWHEXOR-LBPRGKRZSA-N 1 1 336.413 0.973 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2scc3c2OCCO3)C1 ZINC001073844662 787336528 /nfs/dbraw/zinc/33/65/28/787336528.db2.gz XNTJBIAGWHEXOR-LBPRGKRZSA-N 1 1 336.413 0.973 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001073862485 787390964 /nfs/dbraw/zinc/39/09/64/787390964.db2.gz SKUBLJOGYJXPBY-OAHLLOKOSA-N 1 1 346.431 0.838 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 ZINC001073862545 787391057 /nfs/dbraw/zinc/39/10/57/787391057.db2.gz VAMZWHFUGMCOMQ-CQSZACIVSA-N 1 1 331.420 0.387 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 ZINC001073862848 787392548 /nfs/dbraw/zinc/39/25/48/787392548.db2.gz YUJYDLISIFHRHM-AWEZNQCLSA-N 1 1 331.420 0.387 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@@H](C)COC)CCCO2)nc1 ZINC001073865386 787399050 /nfs/dbraw/zinc/39/90/50/787399050.db2.gz HMKPHBUSAPDZJH-HOCLYGCPSA-N 1 1 331.416 0.919 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@H](C)COC)CCCO2)nc1 ZINC001073865387 787399259 /nfs/dbraw/zinc/39/92/59/787399259.db2.gz HMKPHBUSAPDZJH-ZBFHGGJFSA-N 1 1 331.416 0.919 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)COC)CCCO2)nc1 ZINC001073865384 787399359 /nfs/dbraw/zinc/39/93/59/787399359.db2.gz HMKPHBUSAPDZJH-GDBMZVCRSA-N 1 1 331.416 0.919 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001073866278 787402222 /nfs/dbraw/zinc/40/22/22/787402222.db2.gz VWTNSQMQJBFASW-ZDUSSCGKSA-N 1 1 340.383 0.789 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001073866278 787402227 /nfs/dbraw/zinc/40/22/27/787402227.db2.gz VWTNSQMQJBFASW-ZDUSSCGKSA-N 1 1 340.383 0.789 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001073869803 787404618 /nfs/dbraw/zinc/40/46/18/787404618.db2.gz IJZSNYAGDZRFKZ-OAHLLOKOSA-N 1 1 329.400 0.861 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001073869803 787404623 /nfs/dbraw/zinc/40/46/23/787404623.db2.gz IJZSNYAGDZRFKZ-OAHLLOKOSA-N 1 1 329.400 0.861 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)/C(C)=C\C)CC1 ZINC001074627390 787442294 /nfs/dbraw/zinc/44/22/94/787442294.db2.gz MBIXCKKEPIZOMT-DNBBOTNYSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)/C(C)=C\C)CC1 ZINC001074627390 787442296 /nfs/dbraw/zinc/44/22/96/787442296.db2.gz MBIXCKKEPIZOMT-DNBBOTNYSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)/C(C)=C/C)CC1 ZINC001074627391 787442371 /nfs/dbraw/zinc/44/23/71/787442371.db2.gz MBIXCKKEPIZOMT-UZPPOTPCSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)/C(C)=C/C)CC1 ZINC001074627391 787442374 /nfs/dbraw/zinc/44/23/74/787442374.db2.gz MBIXCKKEPIZOMT-UZPPOTPCSA-N 1 1 347.459 0.520 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001073890750 787449553 /nfs/dbraw/zinc/44/95/53/787449553.db2.gz ICLMYIAVPQEUKF-HZPDHXFCSA-N 1 1 339.436 0.017 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001073890715 787449670 /nfs/dbraw/zinc/44/96/70/787449670.db2.gz HWCKKQCQJHYZSR-CQSZACIVSA-N 1 1 334.420 0.901 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001073896358 787466039 /nfs/dbraw/zinc/46/60/39/787466039.db2.gz QJOXVKJYXLFTEX-CVEARBPZSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001073899485 787474098 /nfs/dbraw/zinc/47/40/98/787474098.db2.gz VHRJOWPBFWJNTA-LSDHHAIUSA-N 1 1 333.436 0.542 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001073905543 787489817 /nfs/dbraw/zinc/48/98/17/787489817.db2.gz INHDRUYHXTYGCK-CQSZACIVSA-N 1 1 330.388 0.025 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001073905543 787489824 /nfs/dbraw/zinc/48/98/24/787489824.db2.gz INHDRUYHXTYGCK-CQSZACIVSA-N 1 1 330.388 0.025 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001073908729 787497496 /nfs/dbraw/zinc/49/74/96/787497496.db2.gz UKCKJAIKKZVWFX-OFLPRAFFSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001073908729 787497498 /nfs/dbraw/zinc/49/74/98/787497498.db2.gz UKCKJAIKKZVWFX-OFLPRAFFSA-N 1 1 335.448 0.522 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001073914747 787519858 /nfs/dbraw/zinc/51/98/58/787519858.db2.gz BNGXFQLSRXIEQT-AWEZNQCLSA-N 1 1 332.404 0.577 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001074026760 787716136 /nfs/dbraw/zinc/71/61/36/787716136.db2.gz FWTVYLNYSUPLDD-NVXWUHKLSA-N 1 1 349.475 0.864 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)CSCC#N)C[C@H]1C ZINC001074844113 788420908 /nfs/dbraw/zinc/42/09/08/788420908.db2.gz WKEKUSFRIZUGBQ-OCCSQVGLSA-N 1 1 349.460 0.944 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)C1=O ZINC001072635624 788476367 /nfs/dbraw/zinc/47/63/67/788476367.db2.gz SXSTZQNBQFBUOF-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnn(CC)n2)[C@@H]1C ZINC001074899792 788518455 /nfs/dbraw/zinc/51/84/55/788518455.db2.gz PCHBDHIWRPTANX-UKMLZYKCSA-N 1 1 333.436 0.968 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CC[N@H+](C)CC)C2)c1 ZINC001072707508 788626603 /nfs/dbraw/zinc/62/66/03/788626603.db2.gz XJZRTGOVCAYTKU-PBHICJAKSA-N 1 1 342.443 0.981 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001072712134 788637059 /nfs/dbraw/zinc/63/70/59/788637059.db2.gz IJEXUDLBFUUVTG-MRXNPFEDSA-N 1 1 328.416 0.192 20 30 ECEDMO COc1nccc(C[N@@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001072718606 788643926 /nfs/dbraw/zinc/64/39/26/788643926.db2.gz DRYYQFRVDXGPNE-UHFFFAOYSA-N 1 1 326.400 0.933 20 30 ECEDMO COc1nccc(C[N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001072718606 788643929 /nfs/dbraw/zinc/64/39/29/788643929.db2.gz DRYYQFRVDXGPNE-UHFFFAOYSA-N 1 1 326.400 0.933 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)nc1 ZINC001072741442 788686260 /nfs/dbraw/zinc/68/62/60/788686260.db2.gz DMZGELBJVXOUSC-RHSMWYFYSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)cn1 ZINC001072742549 788692477 /nfs/dbraw/zinc/69/24/77/788692477.db2.gz RWSVPRDRBQNUQJ-PBHICJAKSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@]45C[C@H]4COC5)C3)C2)C1=O ZINC001072757721 788732170 /nfs/dbraw/zinc/73/21/70/788732170.db2.gz UJQZHSNRCPWYPE-DOXZYTNZSA-N 1 1 345.443 0.344 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnnn3C)[C@@H]2C)cn1 ZINC001075053367 788812792 /nfs/dbraw/zinc/81/27/92/788812792.db2.gz DKLZZHKSFQJUCT-XUJVJEKNSA-N 1 1 339.403 0.540 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cccc(OCC(N)=O)c3)C2)C1 ZINC001072797121 788815626 /nfs/dbraw/zinc/81/56/26/788815626.db2.gz MJKUYOHQJWZAPW-UHFFFAOYSA-N 1 1 341.411 0.722 20 30 ECEDMO CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001072797414 788818656 /nfs/dbraw/zinc/81/86/56/788818656.db2.gz WRBVKSYUCGFMAB-OAHLLOKOSA-N 1 1 333.432 0.039 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)cc1 ZINC001072934627 789134937 /nfs/dbraw/zinc/13/49/37/789134937.db2.gz NEFXUWAOTQFDBG-UHFFFAOYSA-N 1 1 328.372 0.109 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](CC(=O)N1CCOCC1)C2 ZINC001072945087 789148815 /nfs/dbraw/zinc/14/88/15/789148815.db2.gz TUMMSBHRTSIDQQ-SFHVURJKSA-N 1 1 349.475 0.982 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001072945087 789148821 /nfs/dbraw/zinc/14/88/21/789148821.db2.gz TUMMSBHRTSIDQQ-SFHVURJKSA-N 1 1 349.475 0.982 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C2)C1 ZINC001072977021 789197794 /nfs/dbraw/zinc/19/77/94/789197794.db2.gz JTWOHCFRWBGUEB-CVEARBPZSA-N 1 1 345.443 0.324 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001072986381 789227254 /nfs/dbraw/zinc/22/72/54/789227254.db2.gz UCKXBLIWVOBQGV-CVEARBPZSA-N 1 1 338.411 0.714 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001072986381 789227263 /nfs/dbraw/zinc/22/72/63/789227263.db2.gz UCKXBLIWVOBQGV-CVEARBPZSA-N 1 1 338.411 0.714 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073027470 789300323 /nfs/dbraw/zinc/30/03/23/789300323.db2.gz JXKMTBUUGNKYEL-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)cc1 ZINC001073041543 789331478 /nfs/dbraw/zinc/33/14/78/789331478.db2.gz NUBUDFYLXSXJAW-UHFFFAOYSA-N 1 1 327.384 0.332 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)cc1 ZINC001073041543 789331489 /nfs/dbraw/zinc/33/14/89/789331489.db2.gz NUBUDFYLXSXJAW-UHFFFAOYSA-N 1 1 327.384 0.332 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001073074052 789393756 /nfs/dbraw/zinc/39/37/56/789393756.db2.gz ZJXJRNAVISOOFB-UHFFFAOYSA-N 1 1 332.404 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C)on1 ZINC001075533601 789465383 /nfs/dbraw/zinc/46/53/83/789465383.db2.gz YATVDINAAZVRNV-WFASDCNBSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C)on1 ZINC001075533601 789465390 /nfs/dbraw/zinc/46/53/90/789465390.db2.gz YATVDINAAZVRNV-WFASDCNBSA-N 1 1 332.404 0.705 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC001073124497 789481228 /nfs/dbraw/zinc/48/12/28/789481228.db2.gz PSBMDOIDQDERDB-UHFFFAOYSA-N 1 1 334.376 0.620 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N(C)C)C3)nc1 ZINC001073134920 789504289 /nfs/dbraw/zinc/50/42/89/789504289.db2.gz YBMWDBPVRVIZJB-UHFFFAOYSA-N 1 1 326.400 0.299 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnn(C)c1 ZINC001075570145 789516902 /nfs/dbraw/zinc/51/69/02/789516902.db2.gz XBJHJPSFYRVZSN-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnn(C)c1 ZINC001075570145 789516909 /nfs/dbraw/zinc/51/69/09/789516909.db2.gz XBJHJPSFYRVZSN-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ncoc4C)[C@@H]3C2)C1=O ZINC001075600107 789552830 /nfs/dbraw/zinc/55/28/30/789552830.db2.gz JNWVQOKZGDNPQA-SOUVJXGZSA-N 1 1 344.415 0.916 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001073177384 789572759 /nfs/dbraw/zinc/57/27/59/789572759.db2.gz RRGFMJOLGPMVPP-HNNXBMFYSA-N 1 1 337.464 0.864 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)cc1C#N ZINC001075632706 789597677 /nfs/dbraw/zinc/59/76/77/789597677.db2.gz IJLOOBBHANCUNG-DZGCQCFKSA-N 1 1 342.399 0.475 20 30 ECEDMO C=CCN1CC[C@H](N2CCC3(CN(C(=O)C[NH+]4CCCC4)C3)C2)C1=O ZINC001073430586 789831891 /nfs/dbraw/zinc/83/18/91/789831891.db2.gz IMSBJWVOMKTJAQ-INIZCTEOSA-N 1 1 346.475 0.403 20 30 ECEDMO C=CC[N@@H+]1CCC2(CN(C(=O)COc3ccc(C(N)=O)cc3)C2)C1 ZINC001073441596 789844888 /nfs/dbraw/zinc/84/48/88/789844888.db2.gz PLBVNVAWAMBSIN-UHFFFAOYSA-N 1 1 329.400 0.885 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3cnc(C#N)cn3)C(C)(C)C2)C1 ZINC001069553583 789896477 /nfs/dbraw/zinc/89/64/77/789896477.db2.gz ZWAGDAMHDIPFFV-KBPBESRZSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3cnc(C#N)cn3)C(C)(C)C2)C1 ZINC001069553583 789896484 /nfs/dbraw/zinc/89/64/84/789896484.db2.gz ZWAGDAMHDIPFFV-KBPBESRZSA-N 1 1 344.419 0.328 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001069752039 790009157 /nfs/dbraw/zinc/00/91/57/790009157.db2.gz AROYNOFZCHDSSX-VQIMIIECSA-N 1 1 349.475 0.982 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 ZINC001069830843 790064733 /nfs/dbraw/zinc/06/47/33/790064733.db2.gz HVVUGJFKQHSXBN-HIFRSBDPSA-N 1 1 340.431 0.799 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3COCCN3C)c2C1 ZINC001069857802 790108100 /nfs/dbraw/zinc/10/81/00/790108100.db2.gz MPBUZLBVVVTRNH-QGZVFWFLSA-N 1 1 347.463 0.612 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3COCCN3C)c2C1 ZINC001069857802 790108104 /nfs/dbraw/zinc/10/81/04/790108104.db2.gz MPBUZLBVVVTRNH-QGZVFWFLSA-N 1 1 347.463 0.612 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)c3cn(C)nn3)c2C1 ZINC001069859148 790109951 /nfs/dbraw/zinc/10/99/51/790109951.db2.gz HLIVJARCCCNZJV-UHFFFAOYSA-N 1 1 329.408 0.723 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)c3cn(C)nn3)c2C1 ZINC001069859148 790109953 /nfs/dbraw/zinc/10/99/53/790109953.db2.gz HLIVJARCCCNZJV-UHFFFAOYSA-N 1 1 329.408 0.723 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)c2C1 ZINC001069864470 790120194 /nfs/dbraw/zinc/12/01/94/790120194.db2.gz REPWOOLHNMPGEX-IRXDYDNUSA-N 1 1 341.459 0.965 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069893436 790161889 /nfs/dbraw/zinc/16/18/89/790161889.db2.gz YMULOTAXTDFRDO-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069893436 790161890 /nfs/dbraw/zinc/16/18/90/790161890.db2.gz YMULOTAXTDFRDO-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)c[nH]1 ZINC001069911849 790181006 /nfs/dbraw/zinc/18/10/06/790181006.db2.gz ZYPZIVGSGOGTPP-KGLIPLIRSA-N 1 1 331.355 0.493 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@@H](n2ccnn2)C1 ZINC001069915161 790184612 /nfs/dbraw/zinc/18/46/12/790184612.db2.gz PDBWVFZUDVLSMC-HIFRSBDPSA-N 1 1 327.392 0.173 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@@H](n2ccnn2)C1 ZINC001069915161 790184616 /nfs/dbraw/zinc/18/46/16/790184616.db2.gz PDBWVFZUDVLSMC-HIFRSBDPSA-N 1 1 327.392 0.173 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069916329 790185749 /nfs/dbraw/zinc/18/57/49/790185749.db2.gz QZAKVYUJBNMBGU-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069916329 790185754 /nfs/dbraw/zinc/18/57/54/790185754.db2.gz QZAKVYUJBNMBGU-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069929353 790201214 /nfs/dbraw/zinc/20/12/14/790201214.db2.gz CTBAZZAYDFOPMS-HIFRSBDPSA-N 1 1 341.419 0.652 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001069965830 790252023 /nfs/dbraw/zinc/25/20/23/790252023.db2.gz ILSXZYAMOIIWLH-OAGGEKHMSA-N 1 1 345.451 0.264 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2coc(OCC)n2)[C@@H](n2ccnn2)C1 ZINC001069969213 790257758 /nfs/dbraw/zinc/25/77/58/790257758.db2.gz IDWWLSNYJIGDAC-OCCSQVGLSA-N 1 1 344.375 0.343 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2coc(OCC)n2)[C@@H](n2ccnn2)C1 ZINC001069969213 790257761 /nfs/dbraw/zinc/25/77/61/790257761.db2.gz IDWWLSNYJIGDAC-OCCSQVGLSA-N 1 1 344.375 0.343 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001068860578 791286167 /nfs/dbraw/zinc/28/61/67/791286167.db2.gz NLVOQAFZWQKIPB-OAHLLOKOSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)C[C@H](NC(=O)C#CC2CC2)CO3)C1 ZINC001068860705 791287039 /nfs/dbraw/zinc/28/70/39/791287039.db2.gz PWHWWVBGSDFXPB-CVEARBPZSA-N 1 1 345.443 0.228 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)C[C@@H](NC(=O)C#CC2CC2)CO3)C1 ZINC001068860708 791287084 /nfs/dbraw/zinc/28/70/84/791287084.db2.gz PWHWWVBGSDFXPB-JKSUJKDBSA-N 1 1 345.443 0.228 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)[C@H]1C ZINC001068861828 791290559 /nfs/dbraw/zinc/29/05/59/791290559.db2.gz NJSYHDQNQYKLDH-DGCLKSJQSA-N 1 1 325.376 0.377 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)C[C@H](NC(=O)C#CC2CC2)CO3)C1 ZINC001068863274 791295766 /nfs/dbraw/zinc/29/57/66/791295766.db2.gz STAXYVFYICJIPK-ZBFHGGJFSA-N 1 1 345.443 0.228 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001068863496 791296845 /nfs/dbraw/zinc/29/68/45/791296845.db2.gz XUOTZFNZQLWPLS-OAHLLOKOSA-N 1 1 342.399 0.091 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068939721 791467367 /nfs/dbraw/zinc/46/73/67/791467367.db2.gz GQAREBKQQHEEEJ-MRXNPFEDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001069041009 791638677 /nfs/dbraw/zinc/63/86/77/791638677.db2.gz SDFJQSUBNYCPHS-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2cncc(C#N)n2)C[C@H]1C ZINC001069174703 791759066 /nfs/dbraw/zinc/75/90/66/791759066.db2.gz CCMUQNKNDVMFME-YPMHNXCESA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](CNc2ccc(C#N)nn2)C1 ZINC001066675555 791968744 /nfs/dbraw/zinc/96/87/44/791968744.db2.gz MZTXUPFOTCDDOE-ZFWWWQNUSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNc3ncccc3C#N)C2)CC[N@H+]1C ZINC001066686479 791987003 /nfs/dbraw/zinc/98/70/03/791987003.db2.gz RQNZIJHPBBQUMQ-FVQBIDKESA-N 1 1 343.431 0.933 20 30 ECEDMO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(C(=O)CC4CC4)C3)CC2)nn1 ZINC001066696691 792012476 /nfs/dbraw/zinc/01/24/76/792012476.db2.gz QKONMXPNMZDUJO-INIZCTEOSA-N 1 1 340.431 0.871 20 30 ECEDMO C[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066703470 792034159 /nfs/dbraw/zinc/03/41/59/792034159.db2.gz ZNNXPVGFZFTWHK-QLFBSQMISA-N 1 1 340.431 0.727 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066736634 792071775 /nfs/dbraw/zinc/07/17/75/792071775.db2.gz RINUXRXYMCPICU-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066736634 792071788 /nfs/dbraw/zinc/07/17/88/792071788.db2.gz RINUXRXYMCPICU-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(Nc2ncccc2C#N)C1 ZINC001066891533 792295500 /nfs/dbraw/zinc/29/55/00/792295500.db2.gz ZSDOZBCSLSJWKJ-CRAIPNDOSA-N 1 1 343.431 0.813 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccc(C#N)nn3)C2)C1 ZINC001067853093 792372462 /nfs/dbraw/zinc/37/24/62/792372462.db2.gz ZTZQXCRMQGKFMD-PESDSKBTSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccc(C#N)nn3)C2)C1 ZINC001067853093 792372470 /nfs/dbraw/zinc/37/24/70/792372470.db2.gz ZTZQXCRMQGKFMD-PESDSKBTSA-N 1 1 344.419 0.376 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CC(CNc3cnc(C#N)cn3)C2)C1 ZINC001067856791 792381392 /nfs/dbraw/zinc/38/13/92/792381392.db2.gz MNCJJPNPBAQZIW-IYXRBSQSSA-N 1 1 328.420 0.997 20 30 ECEDMO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001067867040 792394077 /nfs/dbraw/zinc/39/40/77/792394077.db2.gz ZHAYMJBBWJBYJX-GBRKPNRJSA-N 1 1 348.447 0.316 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CC(CNc3nccnc3C#N)C2)C1 ZINC001067889315 792428531 /nfs/dbraw/zinc/42/85/31/792428531.db2.gz VBAFXXLAFKAVMF-HSBZDZAISA-N 1 1 328.420 0.997 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CC(CNc3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001067894173 792433804 /nfs/dbraw/zinc/43/38/04/792433804.db2.gz RYTZTUUQWLKOOC-XZNOPERXSA-N 1 1 328.420 0.995 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(CNc3ccc(C#N)nn3)C2)O1 ZINC001067899535 792446831 /nfs/dbraw/zinc/44/68/31/792446831.db2.gz YTYHPBLJWAVNLH-BNQIPGGESA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(CNc3ccc(C#N)nn3)C2)O1 ZINC001067899535 792446840 /nfs/dbraw/zinc/44/68/40/792446840.db2.gz YTYHPBLJWAVNLH-BNQIPGGESA-N 1 1 344.419 0.374 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cc(C#N)c[nH]1 ZINC001067078795 792671961 /nfs/dbraw/zinc/67/19/61/792671961.db2.gz QJOXJUNQIUTUCM-OAHLLOKOSA-N 1 1 347.419 0.137 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cc(C#N)c[nH]1 ZINC001067078795 792671967 /nfs/dbraw/zinc/67/19/67/792671967.db2.gz QJOXJUNQIUTUCM-OAHLLOKOSA-N 1 1 347.419 0.137 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H](Nc2cncc(C#N)n2)C1 ZINC001067109173 792706617 /nfs/dbraw/zinc/70/66/17/792706617.db2.gz QSYGXDKETNQAEK-RISCZKNCSA-N 1 1 325.376 0.812 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1ccc(C#N)cn1 ZINC001067117613 792716194 /nfs/dbraw/zinc/71/61/94/792716194.db2.gz HQZBGXBPIYCIRU-HOCLYGCPSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001068157978 792758070 /nfs/dbraw/zinc/75/80/70/792758070.db2.gz OQPSSCKXRVYHQB-YIYPIFLZSA-N 1 1 326.404 0.241 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)CCC=C)CCO2 ZINC001068344045 793088771 /nfs/dbraw/zinc/08/87/71/793088771.db2.gz IHROGFUXIVCYGS-INIZCTEOSA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)CCC=C)CCO2 ZINC001068344045 793088778 /nfs/dbraw/zinc/08/87/78/793088778.db2.gz IHROGFUXIVCYGS-INIZCTEOSA-N 1 1 345.443 0.490 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001067427610 793142070 /nfs/dbraw/zinc/14/20/70/793142070.db2.gz LFZPYXDZKVUJEZ-CVEARBPZSA-N 1 1 337.464 0.531 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CCC[C@H]1C ZINC001067431588 793149735 /nfs/dbraw/zinc/14/97/35/793149735.db2.gz SRVNZQOCCNEFEK-HZPDHXFCSA-N 1 1 337.464 0.816 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001068394833 793201592 /nfs/dbraw/zinc/20/15/92/793201592.db2.gz HVTNWPLOXUPZGE-UHFFFAOYSA-N 1 1 335.448 0.426 20 30 ECEDMO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001068403571 793229377 /nfs/dbraw/zinc/22/93/77/793229377.db2.gz PZDMNZHJWFHNHJ-UHFFFAOYSA-N 1 1 346.431 0.988 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001068406535 793240595 /nfs/dbraw/zinc/24/05/95/793240595.db2.gz WYTWCZCWLSUVHV-UHFFFAOYSA-N 1 1 349.475 0.960 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)CCO2 ZINC001068420896 793281956 /nfs/dbraw/zinc/28/19/56/793281956.db2.gz HNASNANIJNVGEF-SFHVURJKSA-N 1 1 347.459 0.878 20 30 ECEDMO C=CCCCC(=O)N1CCOC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001068451729 793334778 /nfs/dbraw/zinc/33/47/78/793334778.db2.gz QXNUERUNWKDUHL-UHFFFAOYSA-N 1 1 346.431 0.988 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)c1ccc(C#N)[nH]1)CC(=O)N1CCC1 ZINC001267502178 837577732 /nfs/dbraw/zinc/57/77/32/837577732.db2.gz XVNQUGDXCBDPNX-UHFFFAOYSA-N 1 1 331.420 0.949 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(F)cc2)C1 ZINC001267502420 837579517 /nfs/dbraw/zinc/57/95/17/837579517.db2.gz SZIFGDMABRSOPM-CYBMUJFWSA-N 1 1 332.379 0.907 20 30 ECEDMO C=CCOCC(=O)NCC[C@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001267507644 837596183 /nfs/dbraw/zinc/59/61/83/837596183.db2.gz DYKMPURJQSPSBW-GJZGRUSLSA-N 1 1 333.436 0.796 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](CNC(=O)c1cncnc1)c1ccccc1 ZINC001267519013 837665800 /nfs/dbraw/zinc/66/58/00/837665800.db2.gz CXEZCMJJXFHBPD-MRXNPFEDSA-N 1 1 339.399 0.840 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cc2cccnc2)C1 ZINC001267524721 837683837 /nfs/dbraw/zinc/68/38/37/837683837.db2.gz VSNZGJXERQMWGQ-HNNXBMFYSA-N 1 1 330.432 0.755 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2nn(C)cc2C)C1 ZINC001267531658 837705492 /nfs/dbraw/zinc/70/54/92/837705492.db2.gz WNWWNJVMMNJDJR-GJZGRUSLSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccsn2)C1 ZINC001267536236 837715873 /nfs/dbraw/zinc/71/58/73/837715873.db2.gz PCPXAVQLCJNWIE-QWHCGFSZSA-N 1 1 334.445 0.723 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc[nH]c(=O)c2)C1 ZINC001267538719 837719677 /nfs/dbraw/zinc/71/96/77/837719677.db2.gz CAYIBEXMQXIURS-OAHLLOKOSA-N 1 1 344.415 0.463 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc[nH]c(=O)c2)C1 ZINC001267538719 837719684 /nfs/dbraw/zinc/71/96/84/837719684.db2.gz CAYIBEXMQXIURS-OAHLLOKOSA-N 1 1 344.415 0.463 20 30 ECEDMO CCCN(C(=O)[C@H]1CCN(C)C1=O)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267546478 837739696 /nfs/dbraw/zinc/73/96/96/837739696.db2.gz PJJFHEHHXFVQAE-CVEARBPZSA-N 1 1 335.448 0.427 20 30 ECEDMO CCCN(C(=O)[C@H]1CCN(C)C1=O)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267546478 837739702 /nfs/dbraw/zinc/73/97/02/837739702.db2.gz PJJFHEHHXFVQAE-CVEARBPZSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCNC(=O)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267548370 837744084 /nfs/dbraw/zinc/74/40/84/837744084.db2.gz DPJQGDPZBCCVDV-HZPDHXFCSA-N 1 1 334.464 0.000 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCC)[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001267548596 837744873 /nfs/dbraw/zinc/74/48/73/837744873.db2.gz JDFIHQLXBRUHMF-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCC)[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001267548596 837744883 /nfs/dbraw/zinc/74/48/83/837744883.db2.gz JDFIHQLXBRUHMF-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)/C=C\c2ccco2)C1 ZINC001267550110 837749174 /nfs/dbraw/zinc/74/91/74/837749174.db2.gz PAQCEUORPXZNIF-NQHOJNORSA-N 1 1 330.388 0.761 20 30 ECEDMO N#CCSCC(=O)NCC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001267551734 837752627 /nfs/dbraw/zinc/75/26/27/837752627.db2.gz RBQRGCURBHVFQZ-ZDUSSCGKSA-N 1 1 339.465 0.097 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CCNC(=O)Cc3ccon3)C2)C1=O ZINC001267553717 837757272 /nfs/dbraw/zinc/75/72/72/837757272.db2.gz ACPAYWFHOZNVSX-ZBFHGGJFSA-N 1 1 346.431 0.832 20 30 ECEDMO O=C(C#CC1CC1)NCC[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267555984 837761968 /nfs/dbraw/zinc/76/19/68/837761968.db2.gz LOYDLSDSURXFCJ-HOTGVXAUSA-N 1 1 338.473 0.663 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C2C=CC=CC=C2)C1 ZINC001267559327 837768908 /nfs/dbraw/zinc/76/89/08/837768908.db2.gz SEPYFMGNPDMALX-MRXNPFEDSA-N 1 1 327.428 0.862 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccnn2C(C)C)C1 ZINC001267559608 837769135 /nfs/dbraw/zinc/76/91/35/837769135.db2.gz YHMXCXYKEMLKCG-HNNXBMFYSA-N 1 1 345.447 0.655 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cccnc2C)C1 ZINC001267563765 837777857 /nfs/dbraw/zinc/77/78/57/837777857.db2.gz FNXAAXHUPZMADS-OAHLLOKOSA-N 1 1 328.416 0.581 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccn(C)c2C)C1 ZINC001267565351 837782149 /nfs/dbraw/zinc/78/21/49/837782149.db2.gz LLJHIGJSNQZHGE-JKSUJKDBSA-N 1 1 344.459 0.913 20 30 ECEDMO CC(C)n1ccc(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001267566535 837784016 /nfs/dbraw/zinc/78/40/16/837784016.db2.gz FWQPKTBKWNPQIN-CQSZACIVSA-N 1 1 346.435 0.546 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CC[NH+]1CCN(Cc2cncn2C)CC1 ZINC001267572110 837808241 /nfs/dbraw/zinc/80/82/41/837808241.db2.gz FOKOMTKTJDMPHQ-GOSISDBHSA-N 1 1 349.479 0.323 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)C[C@H](C)c2cnn(C)c2)CC1 ZINC001267572990 837812851 /nfs/dbraw/zinc/81/28/51/837812851.db2.gz FCZRDAOJECIPHM-INIZCTEOSA-N 1 1 331.464 0.623 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2nc(C)n3ccccc23)CC1 ZINC001267573560 837817375 /nfs/dbraw/zinc/81/73/75/837817375.db2.gz UHPAOBQTDZOSTH-UHFFFAOYSA-N 1 1 339.443 0.966 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cc3c(cn2)OCCC3)CC1 ZINC001267576150 837830978 /nfs/dbraw/zinc/83/09/78/837830978.db2.gz SOBSGXSVFDMMQK-UHFFFAOYSA-N 1 1 342.443 0.729 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001267576549 837832330 /nfs/dbraw/zinc/83/23/30/837832330.db2.gz SLHHQPNOYIHXCY-JJXSEGSLSA-N 1 1 335.448 0.684 20 30 ECEDMO C=CCC1(C(=O)NCCC[NH+]2CCN([C@H](C)C(N)=O)CC2)CCC1 ZINC001266271277 835592994 /nfs/dbraw/zinc/59/29/94/835592994.db2.gz KECGSQHUOZHKLN-OAHLLOKOSA-N 1 1 336.480 0.731 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCNC(=O)[C@@H]2CC23CCC3)CC1 ZINC001266272994 835594893 /nfs/dbraw/zinc/59/48/93/835594893.db2.gz DIROOPOFAGIQKQ-INIZCTEOSA-N 1 1 346.475 0.050 20 30 ECEDMO C=CCN1CC[C@H](N(C)CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1=O ZINC001266280622 835608659 /nfs/dbraw/zinc/60/86/59/835608659.db2.gz MEKJDARGKLDNQN-CVEARBPZSA-N 1 1 336.480 0.696 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2cccn3nccc23)CC1 ZINC001266288127 835631121 /nfs/dbraw/zinc/63/11/21/835631121.db2.gz TZDGJDTXENSHAB-UHFFFAOYSA-N 1 1 325.416 0.705 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn2ccc(C)cc2n1 ZINC001266295532 835642779 /nfs/dbraw/zinc/64/27/79/835642779.db2.gz OKNXIHWTPBUMAC-CQSZACIVSA-N 1 1 341.415 0.442 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn2ccc(C)cc2n1 ZINC001266295532 835642781 /nfs/dbraw/zinc/64/27/81/835642781.db2.gz OKNXIHWTPBUMAC-CQSZACIVSA-N 1 1 341.415 0.442 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2cc3c(cn2)OCCC3)CC1 ZINC001266297902 835649285 /nfs/dbraw/zinc/64/92/85/835649285.db2.gz XBXPKHCCRYOHKX-UHFFFAOYSA-N 1 1 342.443 0.777 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[C@H]1CCCC1(F)F ZINC001266313231 835680755 /nfs/dbraw/zinc/68/07/55/835680755.db2.gz HETXDTBIUPPAKL-QWHCGFSZSA-N 1 1 329.391 0.998 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[C@H]1CCCC1(F)F ZINC001266313231 835680761 /nfs/dbraw/zinc/68/07/61/835680761.db2.gz HETXDTBIUPPAKL-QWHCGFSZSA-N 1 1 329.391 0.998 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001266314340 835682357 /nfs/dbraw/zinc/68/23/57/835682357.db2.gz WRVSRSTVRMBKDZ-KBPBESRZSA-N 1 1 347.463 0.264 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001266314340 835682359 /nfs/dbraw/zinc/68/23/59/835682359.db2.gz WRVSRSTVRMBKDZ-KBPBESRZSA-N 1 1 347.463 0.264 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001266317118 835685927 /nfs/dbraw/zinc/68/59/27/835685927.db2.gz MCTXYPXSZOKXMO-UONOGXRCSA-N 1 1 348.451 0.432 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001266317118 835685929 /nfs/dbraw/zinc/68/59/29/835685929.db2.gz MCTXYPXSZOKXMO-UONOGXRCSA-N 1 1 348.451 0.432 20 30 ECEDMO C=C1CCC(C(=O)NCC[N@@H+](C)CCN2CCCS2(=O)=O)CC1 ZINC001266321928 835695686 /nfs/dbraw/zinc/69/56/86/835695686.db2.gz ZWAXYWLJXBTDOR-UHFFFAOYSA-N 1 1 343.493 0.816 20 30 ECEDMO C=C1CCC(C(=O)NCC[N@H+](C)CCN2CCCS2(=O)=O)CC1 ZINC001266321928 835695689 /nfs/dbraw/zinc/69/56/89/835695689.db2.gz ZWAXYWLJXBTDOR-UHFFFAOYSA-N 1 1 343.493 0.816 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CCn3ccnc3)C2)C1=O ZINC001266333585 835715697 /nfs/dbraw/zinc/71/56/97/835715697.db2.gz QDPDZJUDLZNFGP-GJZGRUSLSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CCn3ccnc3)C2)C1=O ZINC001266333585 835715703 /nfs/dbraw/zinc/71/57/03/835715703.db2.gz QDPDZJUDLZNFGP-GJZGRUSLSA-N 1 1 331.420 0.251 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001266342394 835728192 /nfs/dbraw/zinc/72/81/92/835728192.db2.gz RNSCJFRRJQSEOB-GDBMZVCRSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001266342394 835728196 /nfs/dbraw/zinc/72/81/96/835728196.db2.gz RNSCJFRRJQSEOB-GDBMZVCRSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345747 835736100 /nfs/dbraw/zinc/73/61/00/835736100.db2.gz XXWHQCNFVXQUPW-DZGCQCFKSA-N 1 1 343.431 0.090 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345747 835736111 /nfs/dbraw/zinc/73/61/11/835736111.db2.gz XXWHQCNFVXQUPW-DZGCQCFKSA-N 1 1 343.431 0.090 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1c[nH]nc1C(C)(C)C ZINC001266348121 835741430 /nfs/dbraw/zinc/74/14/30/835741430.db2.gz WXJDRVNKGGTRLP-GFCCVEGCSA-N 1 1 333.436 0.507 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1c[nH]nc1C(C)(C)C ZINC001266348121 835741433 /nfs/dbraw/zinc/74/14/33/835741433.db2.gz WXJDRVNKGGTRLP-GFCCVEGCSA-N 1 1 333.436 0.507 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cncnc1C1CC1 ZINC001266354698 835757956 /nfs/dbraw/zinc/75/79/56/835757956.db2.gz KTYRMHGJQJIBBP-LBPRGKRZSA-N 1 1 331.420 0.706 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cncnc1C1CC1 ZINC001266354698 835757963 /nfs/dbraw/zinc/75/79/63/835757963.db2.gz KTYRMHGJQJIBBP-LBPRGKRZSA-N 1 1 331.420 0.706 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1[nH]cnc1C(C)(C)C ZINC001266390527 835798138 /nfs/dbraw/zinc/79/81/38/835798138.db2.gz BCTRCJODRRYXOO-UHFFFAOYSA-N 1 1 333.436 0.508 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1[nH]cnc1C(C)(C)C ZINC001266390527 835798153 /nfs/dbraw/zinc/79/81/53/835798153.db2.gz BCTRCJODRRYXOO-UHFFFAOYSA-N 1 1 333.436 0.508 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1nccc(C)n1 ZINC001266394059 835802594 /nfs/dbraw/zinc/80/25/94/835802594.db2.gz HXFFDXREGVAISM-INIZCTEOSA-N 1 1 329.448 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1nccc(C)n1 ZINC001266394059 835802600 /nfs/dbraw/zinc/80/26/00/835802600.db2.gz HXFFDXREGVAISM-INIZCTEOSA-N 1 1 329.448 0.821 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](CC)C[C@H]1CCNC(=O)CC1 ZINC001266418056 835824262 /nfs/dbraw/zinc/82/42/62/835824262.db2.gz NLOZRWRLNLBRPZ-OAGGEKHMSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]2C1 ZINC001279402640 835832188 /nfs/dbraw/zinc/83/21/88/835832188.db2.gz BZJQAZPPSDGEIH-OKILXGFUSA-N 1 1 343.493 0.671 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1Cc2cccnc2C1 ZINC001266431956 835835524 /nfs/dbraw/zinc/83/55/24/835835524.db2.gz PTQWNHCTJGDFCI-HNNXBMFYSA-N 1 1 330.432 0.537 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1Cc2cccnc2C1 ZINC001266431956 835835529 /nfs/dbraw/zinc/83/55/29/835835529.db2.gz PTQWNHCTJGDFCI-HNNXBMFYSA-N 1 1 330.432 0.537 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cn2c(cccc2C)n1)CC(=O)NCC#N ZINC001266435024 835838958 /nfs/dbraw/zinc/83/89/58/835838958.db2.gz XWRDEGXABBQEAB-UHFFFAOYSA-N 1 1 342.403 0.334 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cn2c(cccc2C)n1)CC(=O)NCC#N ZINC001266435024 835838962 /nfs/dbraw/zinc/83/89/62/835838962.db2.gz XWRDEGXABBQEAB-UHFFFAOYSA-N 1 1 342.403 0.334 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CC1CCC1 ZINC001266453689 835856367 /nfs/dbraw/zinc/85/63/67/835856367.db2.gz JVTIXFRKMAVMKB-AWEZNQCLSA-N 1 1 336.436 0.769 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CC1CCC1 ZINC001266453689 835856372 /nfs/dbraw/zinc/85/63/72/835856372.db2.gz JVTIXFRKMAVMKB-AWEZNQCLSA-N 1 1 336.436 0.769 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)Cc2cc(C)on2)C1=O ZINC001266453470 835856516 /nfs/dbraw/zinc/85/65/16/835856516.db2.gz GCIWRBOZSZGBCL-HOTGVXAUSA-N 1 1 346.431 0.893 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H](C[N@@H+](C)CC(=O)NC2CC2)C1 ZINC001266456436 835859288 /nfs/dbraw/zinc/85/92/88/835859288.db2.gz WEZKCHMIRAKSKX-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(=O)COC)C1 ZINC001266459291 835861668 /nfs/dbraw/zinc/86/16/68/835861668.db2.gz NQQHLGFTHVOLIF-OAHLLOKOSA-N 1 1 325.453 0.838 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN(C(=O)c2ccsn2)C1 ZINC001266459003 835862218 /nfs/dbraw/zinc/86/22/18/835862218.db2.gz HZHYICRXSOXVDX-LBPRGKRZSA-N 1 1 335.433 0.567 20 30 ECEDMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1CNC(=O)C#CC(C)C ZINC001266461472 835863699 /nfs/dbraw/zinc/86/36/99/835863699.db2.gz PWAUJUAUAAPGHA-AWEZNQCLSA-N 1 1 329.466 0.166 20 30 ECEDMO CCS(=O)(=O)NCC[N@H+]1CCC[C@H]1CNC(=O)C#CC(C)C ZINC001266461472 835863706 /nfs/dbraw/zinc/86/37/06/835863706.db2.gz PWAUJUAUAAPGHA-AWEZNQCLSA-N 1 1 329.466 0.166 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001266492507 835893714 /nfs/dbraw/zinc/89/37/14/835893714.db2.gz QJFXZCNLPMIJMO-OLZOCXBDSA-N 1 1 349.410 0.200 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001266492507 835893721 /nfs/dbraw/zinc/89/37/21/835893721.db2.gz QJFXZCNLPMIJMO-OLZOCXBDSA-N 1 1 349.410 0.200 20 30 ECEDMO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CSCC#N)C1 ZINC001266499627 835900512 /nfs/dbraw/zinc/90/05/12/835900512.db2.gz DRRGNNJOSFLZBX-UONOGXRCSA-N 1 1 340.493 0.842 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@H+](CCn2nc(C)nc2C)C1 ZINC001266511106 835918520 /nfs/dbraw/zinc/91/85/20/835918520.db2.gz JGKVJXCBEFMXNN-WBVHZDCISA-N 1 1 335.452 0.660 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001266517445 835928548 /nfs/dbraw/zinc/92/85/48/835928548.db2.gz JTUHBCJVTCEYDN-KGLIPLIRSA-N 1 1 337.420 0.165 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001266517829 835929801 /nfs/dbraw/zinc/92/98/01/835929801.db2.gz OBCXCIAHVQSYJK-UONOGXRCSA-N 1 1 343.431 0.019 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001266517827 835929898 /nfs/dbraw/zinc/92/98/98/835929898.db2.gz OBCXCIAHVQSYJK-KBPBESRZSA-N 1 1 343.431 0.019 20 30 ECEDMO CC(C)c1cccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001266520458 835933580 /nfs/dbraw/zinc/93/35/80/835933580.db2.gz NPAKNAQSXANVPP-AWEZNQCLSA-N 1 1 343.431 0.896 20 30 ECEDMO CC(C)c1cccc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001266520458 835933585 /nfs/dbraw/zinc/93/35/85/835933585.db2.gz NPAKNAQSXANVPP-AWEZNQCLSA-N 1 1 343.431 0.896 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC001266520955 835935447 /nfs/dbraw/zinc/93/54/47/835935447.db2.gz WXAZDUBTAWGNEW-UONOGXRCSA-N 1 1 344.415 0.280 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2ncccc2F)C1 ZINC001266527845 835943169 /nfs/dbraw/zinc/94/31/69/835943169.db2.gz FKMAOQFESSMVRQ-ZIAGYGMSSA-N 1 1 348.422 0.892 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2cnn(C)c2)C1 ZINC001266540063 835961360 /nfs/dbraw/zinc/96/13/60/835961360.db2.gz NYNKGYFREJRTPX-CVEARBPZSA-N 1 1 332.448 0.687 20 30 ECEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC)C2)CCOCC1 ZINC001266546294 835967362 /nfs/dbraw/zinc/96/73/62/835967362.db2.gz STDFHPQCCBNFBA-HNNXBMFYSA-N 1 1 337.464 0.934 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ncccc2OC)C1 ZINC001266546899 835968861 /nfs/dbraw/zinc/96/88/61/835968861.db2.gz ZCZSSBCHZUTSIM-ZIAGYGMSSA-N 1 1 346.431 0.833 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1ccc2n[nH]nc2c1 ZINC001266577574 836007219 /nfs/dbraw/zinc/00/72/19/836007219.db2.gz QHKIFAMXVIFTHY-UHFFFAOYSA-N 1 1 342.403 0.149 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1ccc2n[nH]nc2c1 ZINC001266577574 836007232 /nfs/dbraw/zinc/00/72/32/836007232.db2.gz QHKIFAMXVIFTHY-UHFFFAOYSA-N 1 1 342.403 0.149 20 30 ECEDMO N#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001039230758 836017031 /nfs/dbraw/zinc/01/70/31/836017031.db2.gz MCGGFFMAMJHIND-IRXDYDNUSA-N 1 1 334.464 0.935 20 30 ECEDMO C=CCN1CC[C@H](N(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C2CC2)C1=O ZINC001266611515 836045178 /nfs/dbraw/zinc/04/51/78/836045178.db2.gz MIRADBNYHRBBCP-WBVHZDCISA-N 1 1 348.491 0.696 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](CC(=O)N1CCC1)C1CC1 ZINC001266614180 836047238 /nfs/dbraw/zinc/04/72/38/836047238.db2.gz VOSDVLIPWQFJCG-RDJZCZTQSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](CC(=O)N1CCC1)C1CC1 ZINC001266614180 836047243 /nfs/dbraw/zinc/04/72/43/836047243.db2.gz VOSDVLIPWQFJCG-RDJZCZTQSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)CC(C)(C)C)C1 ZINC001279462538 836054109 /nfs/dbraw/zinc/05/41/09/836054109.db2.gz REFQSIUGUCRSDX-KDOFPFPSSA-N 1 1 337.464 0.504 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@](CO)(NC(=O)CC(C)(C)C)C1 ZINC001279462538 836054119 /nfs/dbraw/zinc/05/41/19/836054119.db2.gz REFQSIUGUCRSDX-KDOFPFPSSA-N 1 1 337.464 0.504 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@]1(CO)CCC[N@H+](CCOCC(F)(F)F)C1 ZINC001279471061 836073944 /nfs/dbraw/zinc/07/39/44/836073944.db2.gz KBFHXIQQEDULRA-WCQYABFASA-N 1 1 337.342 0.668 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@]1(CO)CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC001279471061 836073962 /nfs/dbraw/zinc/07/39/62/836073962.db2.gz KBFHXIQQEDULRA-WCQYABFASA-N 1 1 337.342 0.668 20 30 ECEDMO C=CCOCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001266646229 836080284 /nfs/dbraw/zinc/08/02/84/836080284.db2.gz ZADLEUNZOORUQF-NPYXIHBLSA-N 1 1 348.447 0.558 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC2)C1 ZINC001266656290 836091619 /nfs/dbraw/zinc/09/16/19/836091619.db2.gz RLRLWEYCWBMJEH-GJZGRUSLSA-N 1 1 348.447 0.721 20 30 ECEDMO Cn1cccc1C(=O)N1CCC[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266656591 836092758 /nfs/dbraw/zinc/09/27/58/836092758.db2.gz YKXRXIBITJAXMM-CABCVRRESA-N 1 1 343.431 0.591 20 30 ECEDMO Cn1cccc1C(=O)N1CCC[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266656591 836092763 /nfs/dbraw/zinc/09/27/63/836092763.db2.gz YKXRXIBITJAXMM-CABCVRRESA-N 1 1 343.431 0.591 20 30 ECEDMO COc1ccc(-n2nnnc2C[NH2+]CCN(C)C(=O)[C@H](C)C#N)cc1 ZINC001266660113 836097632 /nfs/dbraw/zinc/09/76/32/836097632.db2.gz KDWISDRNKABCST-GFCCVEGCSA-N 1 1 343.391 0.379 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2nonc2C)C1 ZINC001266663567 836100639 /nfs/dbraw/zinc/10/06/39/836100639.db2.gz OSVKLPRVGWODCS-UONOGXRCSA-N 1 1 345.403 0.054 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001279480651 836161126 /nfs/dbraw/zinc/16/11/26/836161126.db2.gz QRRZGPADVZTSOT-WMLDXEAASA-N 1 1 340.420 0.085 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CCC[N@H+](Cc2c(C)nnn2CC)C1 ZINC001266749004 836237793 /nfs/dbraw/zinc/23/77/93/836237793.db2.gz CDJJRJSPMCQAQW-INIZCTEOSA-N 1 1 347.463 0.975 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2occ3c2CCC3)C1 ZINC001266754522 836248099 /nfs/dbraw/zinc/24/80/99/836248099.db2.gz CKSMGDYQHBBMEW-AWEZNQCLSA-N 1 1 343.427 0.960 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2occ3c2CCC3)C1 ZINC001266754522 836248111 /nfs/dbraw/zinc/24/81/11/836248111.db2.gz CKSMGDYQHBBMEW-AWEZNQCLSA-N 1 1 343.427 0.960 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001266757955 836254392 /nfs/dbraw/zinc/25/43/92/836254392.db2.gz KJQSEHKMWAOEMB-AWEZNQCLSA-N 1 1 345.509 0.966 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2Cc3ccccc32)C1 ZINC001266758094 836255543 /nfs/dbraw/zinc/25/55/43/836255543.db2.gz NRYHFNAKOOBIOC-YJBOKZPZSA-N 1 1 339.439 0.904 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)nn2CC)C1 ZINC001266760688 836261654 /nfs/dbraw/zinc/26/16/54/836261654.db2.gz KTPFKEAMPCWHFZ-OAHLLOKOSA-N 1 1 347.463 0.955 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2cccnc2C)C1 ZINC001266761026 836263571 /nfs/dbraw/zinc/26/35/71/836263571.db2.gz RNGPQOGYOQLXNX-MRXNPFEDSA-N 1 1 342.443 0.510 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC001266764256 836268138 /nfs/dbraw/zinc/26/81/38/836268138.db2.gz NTGPWRFKPYZTDO-AWEZNQCLSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCCO1 ZINC001266833056 836357476 /nfs/dbraw/zinc/35/74/76/836357476.db2.gz PBXMJPCMQDWWFV-JKSUJKDBSA-N 1 1 335.448 0.666 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCCO1 ZINC001266833056 836357488 /nfs/dbraw/zinc/35/74/88/836357488.db2.gz PBXMJPCMQDWWFV-JKSUJKDBSA-N 1 1 335.448 0.666 20 30 ECEDMO COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001266848512 836377623 /nfs/dbraw/zinc/37/76/23/836377623.db2.gz BZDXDENZJBJKHQ-IRXDYDNUSA-N 1 1 348.447 0.728 20 30 ECEDMO COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001266848512 836377632 /nfs/dbraw/zinc/37/76/32/836377632.db2.gz BZDXDENZJBJKHQ-IRXDYDNUSA-N 1 1 348.447 0.728 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cnccc2C)C1 ZINC001266892990 836442724 /nfs/dbraw/zinc/44/27/24/836442724.db2.gz OYDUJMFLPZJFHC-JKSUJKDBSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)n1cccc1 ZINC001266900701 836453773 /nfs/dbraw/zinc/45/37/73/836453773.db2.gz XYFFMHDRYXRVCI-RFBLXINOSA-N 1 1 328.416 0.233 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC ZINC001266901094 836455262 /nfs/dbraw/zinc/45/52/62/836455262.db2.gz OUYGEQJPRGEVNX-BTFPBAQTSA-N 1 1 343.493 0.715 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001267002099 836595721 /nfs/dbraw/zinc/59/57/21/836595721.db2.gz YYCRDVZLAVZNIF-KGLIPLIRSA-N 1 1 346.435 0.024 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001267086921 836735520 /nfs/dbraw/zinc/73/55/20/836735520.db2.gz CFWKRHYFASMSRQ-UONOGXRCSA-N 1 1 346.435 0.636 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001267086921 836735526 /nfs/dbraw/zinc/73/55/26/836735526.db2.gz CFWKRHYFASMSRQ-UONOGXRCSA-N 1 1 346.435 0.636 20 30 ECEDMO CCCSCC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267100542 836770759 /nfs/dbraw/zinc/77/07/59/836770759.db2.gz LFAOUAIVFIJXSI-CYBMUJFWSA-N 1 1 326.466 0.692 20 30 ECEDMO CCCSCC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267100542 836770767 /nfs/dbraw/zinc/77/07/67/836770767.db2.gz LFAOUAIVFIJXSI-CYBMUJFWSA-N 1 1 326.466 0.692 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)COC2CCCC2)C1 ZINC001267100979 836772789 /nfs/dbraw/zinc/77/27/89/836772789.db2.gz OWNUEMGYCBNTFB-CQSZACIVSA-N 1 1 336.436 0.508 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)COC2CCCC2)C1 ZINC001267100979 836772798 /nfs/dbraw/zinc/77/27/98/836772798.db2.gz OWNUEMGYCBNTFB-CQSZACIVSA-N 1 1 336.436 0.508 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@H]([N@H+](C)CCNS(C)(=O)=O)C1 ZINC001267102293 836774526 /nfs/dbraw/zinc/77/45/26/836774526.db2.gz DRAVEQNPRUWCTL-OAHLLOKOSA-N 1 1 343.493 0.652 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@H]([N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001267102293 836774530 /nfs/dbraw/zinc/77/45/30/836774530.db2.gz DRAVEQNPRUWCTL-OAHLLOKOSA-N 1 1 343.493 0.652 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001267110599 836795892 /nfs/dbraw/zinc/79/58/92/836795892.db2.gz GFFMXEJANAHEHS-HIFRSBDPSA-N 1 1 334.420 0.831 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)NCC#N ZINC001279575440 836800580 /nfs/dbraw/zinc/80/05/80/836800580.db2.gz GCGOUXSJCMSCCY-HZPDHXFCSA-N 1 1 330.432 0.885 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)NCC#N ZINC001279575440 836800589 /nfs/dbraw/zinc/80/05/89/836800589.db2.gz GCGOUXSJCMSCCY-HZPDHXFCSA-N 1 1 330.432 0.885 20 30 ECEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001267115069 836808486 /nfs/dbraw/zinc/80/84/86/836808486.db2.gz QGTGVPUDMHFGLV-ZDUSSCGKSA-N 1 1 334.420 0.989 20 30 ECEDMO COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CNC(=O)C(C)(C)C)C1 ZINC001267115395 836808829 /nfs/dbraw/zinc/80/88/29/836808829.db2.gz UUXSOSSXXRBVHA-OAHLLOKOSA-N 1 1 337.464 0.721 20 30 ECEDMO C[C@H](C#N)C(=O)NCCC[C@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001267163083 836879808 /nfs/dbraw/zinc/87/98/08/836879808.db2.gz LRQOMIIJEDAUOB-OCCSQVGLSA-N 1 1 349.435 0.495 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1nncn1C ZINC001267163808 836883719 /nfs/dbraw/zinc/88/37/19/836883719.db2.gz AANYSTJMSSIREV-GJZGRUSLSA-N 1 1 333.436 0.714 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCCC[C@H]1CCC[N@H+]1Cc1nncn1C ZINC001267163808 836883729 /nfs/dbraw/zinc/88/37/29/836883729.db2.gz AANYSTJMSSIREV-GJZGRUSLSA-N 1 1 333.436 0.714 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1cc(-c2ccn(C)n2)on1 ZINC001267197108 836964144 /nfs/dbraw/zinc/96/41/44/836964144.db2.gz HAMMMQRXPHCFOX-UHFFFAOYSA-N 1 1 331.376 0.387 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccnc1C1CC1 ZINC001267205286 836984011 /nfs/dbraw/zinc/98/40/11/836984011.db2.gz FRYCHPAURBYFIM-CYBMUJFWSA-N 1 1 328.416 0.759 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccnc1C1CC1 ZINC001267205286 836984016 /nfs/dbraw/zinc/98/40/16/836984016.db2.gz FRYCHPAURBYFIM-CYBMUJFWSA-N 1 1 328.416 0.759 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@H+](C)C[C@@H]1CCCOC1 ZINC001267220140 837012746 /nfs/dbraw/zinc/01/27/46/837012746.db2.gz JVQXBDUJZIARPC-JKSUJKDBSA-N 1 1 325.453 0.932 20 30 ECEDMO C[N@H+](CCNC(=O)CC#Cc1ccccc1)C[C@@H]1CCS(=O)(=O)C1 ZINC001267231009 837036761 /nfs/dbraw/zinc/03/67/61/837036761.db2.gz LCPUCXKFIRWRHI-KRWDZBQOSA-N 1 1 348.468 0.911 20 30 ECEDMO C[N@@H+](CCNC(=O)CC#Cc1ccccc1)C[C@@H]1CCS(=O)(=O)C1 ZINC001267231009 837036775 /nfs/dbraw/zinc/03/67/75/837036775.db2.gz LCPUCXKFIRWRHI-KRWDZBQOSA-N 1 1 348.468 0.911 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC(C)C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC001267241093 837049415 /nfs/dbraw/zinc/04/94/15/837049415.db2.gz JVKSZMJCRHKFBF-INIZCTEOSA-N 1 1 345.447 0.623 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC(C)C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC001267241093 837049424 /nfs/dbraw/zinc/04/94/24/837049424.db2.gz JVKSZMJCRHKFBF-INIZCTEOSA-N 1 1 345.447 0.623 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CC12CCOCC2 ZINC001267259974 837088136 /nfs/dbraw/zinc/08/81/36/837088136.db2.gz UNTARWBHOJMPMD-HUUCEWRRSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC12CCOCC2 ZINC001267259974 837088147 /nfs/dbraw/zinc/08/81/47/837088147.db2.gz UNTARWBHOJMPMD-HUUCEWRRSA-N 1 1 337.464 0.932 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CCC[N@H+]1C[C@H](C)CS(C)(=O)=O ZINC001267265910 837102246 /nfs/dbraw/zinc/10/22/46/837102246.db2.gz CEROEICAUPLEJF-GJZGRUSLSA-N 1 1 328.478 0.907 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CCC[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC001267265910 837102252 /nfs/dbraw/zinc/10/22/52/837102252.db2.gz CEROEICAUPLEJF-GJZGRUSLSA-N 1 1 328.478 0.907 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnnn1C ZINC001267266184 837103084 /nfs/dbraw/zinc/10/30/84/837103084.db2.gz HKGPOODPCWWXND-AWEZNQCLSA-N 1 1 348.451 0.434 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnnn1C ZINC001267266184 837103088 /nfs/dbraw/zinc/10/30/88/837103088.db2.gz HKGPOODPCWWXND-AWEZNQCLSA-N 1 1 348.451 0.434 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001267266698 837104001 /nfs/dbraw/zinc/10/40/01/837104001.db2.gz HBXXZWBMQUBFGB-LBPRGKRZSA-N 1 1 342.403 0.454 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001267266698 837104006 /nfs/dbraw/zinc/10/40/06/837104006.db2.gz HBXXZWBMQUBFGB-LBPRGKRZSA-N 1 1 342.403 0.454 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)CCc2c[nH]cn2)C1=O ZINC001267269533 837109362 /nfs/dbraw/zinc/10/93/62/837109362.db2.gz OMORYFZIPGEMAL-CVEARBPZSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001267274808 837116171 /nfs/dbraw/zinc/11/61/71/837116171.db2.gz CLJMXDLCOZZBPT-UXLLHSPISA-N 1 1 333.432 0.132 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001267274808 837116181 /nfs/dbraw/zinc/11/61/81/837116181.db2.gz CLJMXDLCOZZBPT-UXLLHSPISA-N 1 1 333.432 0.132 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)COC ZINC001267276611 837120616 /nfs/dbraw/zinc/12/06/16/837120616.db2.gz OYEOXGRDYIZUBW-HUUCEWRRSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)COC ZINC001267276611 837120621 /nfs/dbraw/zinc/12/06/21/837120621.db2.gz OYEOXGRDYIZUBW-HUUCEWRRSA-N 1 1 337.464 0.768 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001267277485 837122441 /nfs/dbraw/zinc/12/24/41/837122441.db2.gz ZFCKQAFYLSQQGF-AWEZNQCLSA-N 1 1 342.403 0.207 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001267277485 837122448 /nfs/dbraw/zinc/12/24/48/837122448.db2.gz ZFCKQAFYLSQQGF-AWEZNQCLSA-N 1 1 342.403 0.207 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccnc1N(C)C ZINC001267282720 837131962 /nfs/dbraw/zinc/13/19/62/837131962.db2.gz SKVLEFYNGNKAJP-HNNXBMFYSA-N 1 1 330.432 0.992 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cccnc1N(C)C ZINC001267282720 837131970 /nfs/dbraw/zinc/13/19/70/837131970.db2.gz SKVLEFYNGNKAJP-HNNXBMFYSA-N 1 1 330.432 0.992 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CC2CC2)C1 ZINC001267286107 837136504 /nfs/dbraw/zinc/13/65/04/837136504.db2.gz VQYPFBOXKKTQCZ-JSGCOSHPSA-N 1 1 336.436 0.625 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001267285897 837136922 /nfs/dbraw/zinc/13/69/22/837136922.db2.gz QJQUHWCCKMLPQY-KGLIPLIRSA-N 1 1 331.420 0.527 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cn2cc(C)cn2)C1 ZINC001267288539 837138592 /nfs/dbraw/zinc/13/85/92/837138592.db2.gz LTWUMJFSADMUIQ-CABCVRRESA-N 1 1 333.436 0.320 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cn2cc(C)cn2)C1 ZINC001267288540 837138750 /nfs/dbraw/zinc/13/87/50/837138750.db2.gz LTWUMJFSADMUIQ-GJZGRUSLSA-N 1 1 333.436 0.320 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267290458 837141681 /nfs/dbraw/zinc/14/16/81/837141681.db2.gz OGMKLRJHFGZIQK-OLZOCXBDSA-N 1 1 329.404 0.629 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001267292898 837146050 /nfs/dbraw/zinc/14/60/50/837146050.db2.gz HYWIABDAXYOIGJ-ZBFHGGJFSA-N 1 1 335.448 0.379 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001267296271 837155427 /nfs/dbraw/zinc/15/54/27/837155427.db2.gz KAYVUXGDNKEHTQ-ZDUSSCGKSA-N 1 1 341.415 0.917 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ncc3ccccn32)C1 ZINC001267297253 837158404 /nfs/dbraw/zinc/15/84/04/837158404.db2.gz FNWXHKORPBCNIH-CQSZACIVSA-N 1 1 341.415 0.688 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ocnc2C(F)F)C1 ZINC001267303682 837171048 /nfs/dbraw/zinc/17/10/48/837171048.db2.gz QQNSMDLCYFPVDO-SECBINFHSA-N 1 1 341.318 0.304 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ocnc2C(F)F)C1 ZINC001267303682 837171053 /nfs/dbraw/zinc/17/10/53/837171053.db2.gz QQNSMDLCYFPVDO-SECBINFHSA-N 1 1 341.318 0.304 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001267305398 837174450 /nfs/dbraw/zinc/17/44/50/837174450.db2.gz LCNSIWHBQQVDFD-QWHCGFSZSA-N 1 1 333.436 0.715 20 30 ECEDMO COc1cc(C)ccc1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267306696 837177902 /nfs/dbraw/zinc/17/79/02/837177902.db2.gz KLHYFIOTBFUWCW-AWEZNQCLSA-N 1 1 344.415 0.695 20 30 ECEDMO COc1cc(C)ccc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267306696 837177911 /nfs/dbraw/zinc/17/79/11/837177911.db2.gz KLHYFIOTBFUWCW-AWEZNQCLSA-N 1 1 344.415 0.695 20 30 ECEDMO CCOc1cnc(C(=O)NC[C@@H]2CC[N@@H+](CC#CCOC)C2)cn1 ZINC001267309539 837184801 /nfs/dbraw/zinc/18/48/01/837184801.db2.gz MHUXIDFPIHAUMB-AWEZNQCLSA-N 1 1 332.404 0.577 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC001267310574 837185954 /nfs/dbraw/zinc/18/59/54/837185954.db2.gz YFRRYHWHRAGEGJ-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1n[nH]c(C)c1C)C1CC1 ZINC001267323195 837199893 /nfs/dbraw/zinc/19/98/93/837199893.db2.gz IUTIUTJKKSQDKC-CYBMUJFWSA-N 1 1 331.420 0.359 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1n[nH]c(C)c1C)C1CC1 ZINC001267323195 837199898 /nfs/dbraw/zinc/19/98/98/837199898.db2.gz IUTIUTJKKSQDKC-CYBMUJFWSA-N 1 1 331.420 0.359 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1ncccc1C)C1CC1 ZINC001267323123 837200585 /nfs/dbraw/zinc/20/05/85/837200585.db2.gz HIIZDIKJMZKNBH-AWEZNQCLSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1ncccc1C)C1CC1 ZINC001267323123 837200595 /nfs/dbraw/zinc/20/05/95/837200595.db2.gz HIIZDIKJMZKNBH-AWEZNQCLSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](Cc1cnn(C)c1)C1CC1 ZINC001267327304 837206255 /nfs/dbraw/zinc/20/62/55/837206255.db2.gz ITPBDHYRPPMASC-KRWDZBQOSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[N@H+](Cc1cnn(C)c1)C1CC1 ZINC001267327304 837206261 /nfs/dbraw/zinc/20/62/61/837206261.db2.gz ITPBDHYRPPMASC-KRWDZBQOSA-N 1 1 329.448 0.598 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)c1ccc(C(N)=O)s1)C1CC1 ZINC001267334775 837216658 /nfs/dbraw/zinc/21/66/58/837216658.db2.gz FOOMCTXVDCKIDB-UHFFFAOYSA-N 1 1 335.429 0.691 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001267336076 837219101 /nfs/dbraw/zinc/21/91/01/837219101.db2.gz HYOMNKJCOJGYGU-CQSZACIVSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001267336076 837219109 /nfs/dbraw/zinc/21/91/09/837219109.db2.gz HYOMNKJCOJGYGU-CQSZACIVSA-N 1 1 344.415 0.729 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)C2 ZINC001279237230 837231292 /nfs/dbraw/zinc/23/12/92/837231292.db2.gz RDFRCBNJMNKIFH-XQLPTFJDSA-N 1 1 326.462 0.660 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H](C)SC)c1ccccc1 ZINC001267350162 837237617 /nfs/dbraw/zinc/23/76/17/837237617.db2.gz AVUKTDLUZKVAGA-ZFWWWQNUSA-N 1 1 333.457 0.934 20 30 ECEDMO C[C@H](C#N)C(=O)N(CCO)CC[NH2+]Cc1nc(-c2ccoc2)no1 ZINC001279672791 837341215 /nfs/dbraw/zinc/34/12/15/837341215.db2.gz MVHKSKRATRBPBW-LLVKDONJSA-N 1 1 333.348 0.400 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C[N@@H+](C)CCCS(C)(=O)=O)C1 ZINC001267581046 837843605 /nfs/dbraw/zinc/84/36/05/837843605.db2.gz IMAXASCKFFAXTM-GOEBONIOSA-N 1 1 346.493 0.529 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2coc(CC)n2)C1 ZINC001267581906 837846799 /nfs/dbraw/zinc/84/67/99/837846799.db2.gz UKDYOZXFPSNBTB-CYBMUJFWSA-N 1 1 334.420 0.933 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC001267582686 837848772 /nfs/dbraw/zinc/84/87/72/837848772.db2.gz YRRMLQNPTKNPBU-VQIMIIECSA-N 1 1 347.459 0.993 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCC(F)F)C1 ZINC001267586783 837865828 /nfs/dbraw/zinc/86/58/28/837865828.db2.gz ZLQUNTQWVADJDQ-QWHCGFSZSA-N 1 1 329.391 0.950 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(=O)NC)C1 ZINC001267590630 837878589 /nfs/dbraw/zinc/87/85/89/837878589.db2.gz VAGAOBDNROPEGE-ZDUSSCGKSA-N 1 1 338.452 0.825 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CCS(C)(=O)=O)C2)nc1 ZINC001267593241 837888650 /nfs/dbraw/zinc/88/86/50/837888650.db2.gz GGPLNCZUAGINOQ-OAHLLOKOSA-N 1 1 349.456 0.501 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CCS(C)(=O)=O)C2)nc1 ZINC001267593241 837888661 /nfs/dbraw/zinc/88/86/61/837888661.db2.gz GGPLNCZUAGINOQ-OAHLLOKOSA-N 1 1 349.456 0.501 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2cnsn2)CC1 ZINC001267598255 837907436 /nfs/dbraw/zinc/90/74/36/837907436.db2.gz YIHRSRAHWQQDEN-UHFFFAOYSA-N 1 1 335.433 0.072 20 30 ECEDMO Cc1noc(C)c1CC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267601255 837920077 /nfs/dbraw/zinc/92/00/77/837920077.db2.gz LJVKUWWFWWLCQI-CQSZACIVSA-N 1 1 347.419 0.302 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C)CC2)C1 ZINC001267614982 837992358 /nfs/dbraw/zinc/99/23/58/837992358.db2.gz XBFCUUMOJULQGK-QGZVFWFLSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC001267614982 837992364 /nfs/dbraw/zinc/99/23/64/837992364.db2.gz XBFCUUMOJULQGK-QGZVFWFLSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cnn(CCC)c2C)CC1 ZINC001267617629 838040386 /nfs/dbraw/zinc/04/03/86/838040386.db2.gz FDCJPIJNLIVYGX-UHFFFAOYSA-N 1 1 331.464 0.924 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC001267619125 838052313 /nfs/dbraw/zinc/05/23/13/838052313.db2.gz YTGXSAQGIYUVGQ-UHFFFAOYSA-N 1 1 330.432 0.672 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)noc2C)C1 ZINC001267625779 838073712 /nfs/dbraw/zinc/07/37/12/838073712.db2.gz OZNRJRPQNLWGQE-CQSZACIVSA-N 1 1 332.404 0.435 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267627728 838082061 /nfs/dbraw/zinc/08/20/61/838082061.db2.gz KMNPZIMVDFHHSZ-KBPBESRZSA-N 1 1 334.420 0.884 20 30 ECEDMO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001267629142 838082967 /nfs/dbraw/zinc/08/29/67/838082967.db2.gz PDEOFCFIOBJBOO-IRXDYDNUSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001267629762 838087832 /nfs/dbraw/zinc/08/78/32/838087832.db2.gz JGIVWYIYGXVDIE-NEPJUHHUSA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001267629762 838087843 /nfs/dbraw/zinc/08/78/43/838087843.db2.gz JGIVWYIYGXVDIE-NEPJUHHUSA-N 1 1 335.408 0.011 20 30 ECEDMO C=C(C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N2CCOCC2)C1 ZINC001267653342 838157111 /nfs/dbraw/zinc/15/71/11/838157111.db2.gz PWSIBLIURCQPDE-INIZCTEOSA-N 1 1 337.464 0.982 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC001267681607 838240750 /nfs/dbraw/zinc/24/07/50/838240750.db2.gz ONRBVTSHJXUNRK-UONOGXRCSA-N 1 1 337.464 0.766 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)C3(F)CCOCC3)C2)C1=O ZINC001267681285 838241343 /nfs/dbraw/zinc/24/13/43/838241343.db2.gz BRSYOCSTIHDKRT-AWEZNQCLSA-N 1 1 339.411 0.340 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C2(c3cccnc3)CC2)C1 ZINC001267689870 838257229 /nfs/dbraw/zinc/25/72/29/838257229.db2.gz RDFGKRDCLWJRKQ-CQSZACIVSA-N 1 1 342.443 0.852 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCn2cncn2)C1 ZINC001267696900 838289387 /nfs/dbraw/zinc/28/93/87/838289387.db2.gz LSJPOCISBCHPLL-INIZCTEOSA-N 1 1 333.436 0.488 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C(=O)NC)CCC2)C1 ZINC001267703139 838301603 /nfs/dbraw/zinc/30/16/03/838301603.db2.gz MHNSYBYZLZXTNP-HNNXBMFYSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC001267701855 838302091 /nfs/dbraw/zinc/30/20/91/838302091.db2.gz AJZAWPXMVKTHDN-ZDUSSCGKSA-N 1 1 348.834 0.878 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC001267707752 838311434 /nfs/dbraw/zinc/31/14/34/838311434.db2.gz GLAGADDJTYEOHH-HNNXBMFYSA-N 1 1 328.416 0.615 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CC3(COC)CC3)C2)C1=O ZINC001267724399 838386309 /nfs/dbraw/zinc/38/63/09/838386309.db2.gz UQYHOELPWNVQQE-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC3(COC)CC3)C2)C1=O ZINC001267724399 838386312 /nfs/dbraw/zinc/38/63/12/838386312.db2.gz UQYHOELPWNVQQE-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCOCCNC(C)=O)C2)c1 ZINC001267728416 838410319 /nfs/dbraw/zinc/41/03/19/838410319.db2.gz CKUCQTVDCRSGDB-KRWDZBQOSA-N 1 1 344.415 0.020 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001267739897 838438327 /nfs/dbraw/zinc/43/83/27/838438327.db2.gz MDSBQRFJDDGBQY-SIXLDLHFSA-N 1 1 347.459 0.187 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccnn2CC(F)F)C1 ZINC001267741630 838442787 /nfs/dbraw/zinc/44/27/87/838442787.db2.gz GVVBTEHVPSRNQB-GFCCVEGCSA-N 1 1 326.347 0.602 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccnn2CC(F)F)C1 ZINC001267741630 838442791 /nfs/dbraw/zinc/44/27/91/838442791.db2.gz GVVBTEHVPSRNQB-GFCCVEGCSA-N 1 1 326.347 0.602 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001267745205 838449955 /nfs/dbraw/zinc/44/99/55/838449955.db2.gz KAHFZIFWKDLAGK-WCQYABFASA-N 1 1 327.375 0.750 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001267745205 838449959 /nfs/dbraw/zinc/44/99/59/838449959.db2.gz KAHFZIFWKDLAGK-WCQYABFASA-N 1 1 327.375 0.750 20 30 ECEDMO C=CC[N@H+](C)CC1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC001267745986 838451552 /nfs/dbraw/zinc/45/15/52/838451552.db2.gz MYQVDNCZKLDUPQ-UHFFFAOYSA-N 1 1 341.437 0.027 20 30 ECEDMO CCN(CC)C(=O)CCCC(=O)N[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267751002 838470941 /nfs/dbraw/zinc/47/09/41/838470941.db2.gz LTPZEYYDFRTCBJ-MRXNPFEDSA-N 1 1 337.464 0.865 20 30 ECEDMO CCN(CC)C(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267751002 838470942 /nfs/dbraw/zinc/47/09/42/838470942.db2.gz LTPZEYYDFRTCBJ-MRXNPFEDSA-N 1 1 337.464 0.865 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001267750604 838471103 /nfs/dbraw/zinc/47/11/03/838471103.db2.gz CVSBVOTVWUJNLN-CQSZACIVSA-N 1 1 331.420 0.343 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001267750604 838471107 /nfs/dbraw/zinc/47/11/07/838471107.db2.gz CVSBVOTVWUJNLN-CQSZACIVSA-N 1 1 331.420 0.343 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001267757908 838481892 /nfs/dbraw/zinc/48/18/92/838481892.db2.gz FRTHEOAVCLYLEJ-CABCVRRESA-N 1 1 333.436 0.415 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001267757908 838481897 /nfs/dbraw/zinc/48/18/97/838481897.db2.gz FRTHEOAVCLYLEJ-CABCVRRESA-N 1 1 333.436 0.415 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001267762080 838489750 /nfs/dbraw/zinc/48/97/50/838489750.db2.gz CULAKBNAPKKOQF-JKSUJKDBSA-N 1 1 349.475 0.816 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001267762080 838489753 /nfs/dbraw/zinc/48/97/53/838489753.db2.gz CULAKBNAPKKOQF-JKSUJKDBSA-N 1 1 349.475 0.816 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cn(C)nc2C)C1 ZINC001267773793 838535489 /nfs/dbraw/zinc/53/54/89/838535489.db2.gz QFSOIRWURBEUQN-QGZVFWFLSA-N 1 1 332.448 0.844 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2cn(C)nc2C)C1 ZINC001267773793 838535494 /nfs/dbraw/zinc/53/54/94/838535494.db2.gz QFSOIRWURBEUQN-QGZVFWFLSA-N 1 1 332.448 0.844 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cnccn2)C1 ZINC001267775651 838538029 /nfs/dbraw/zinc/53/80/29/838538029.db2.gz VCDHMBWSVHHMCZ-GOEBONIOSA-N 1 1 343.431 0.080 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCc2cnccn2)C1 ZINC001267775651 838538035 /nfs/dbraw/zinc/53/80/35/838538035.db2.gz VCDHMBWSVHHMCZ-GOEBONIOSA-N 1 1 343.431 0.080 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001267777234 838543116 /nfs/dbraw/zinc/54/31/16/838543116.db2.gz LKKZYMMYBNAYHY-LLVKDONJSA-N 1 1 333.354 1.000 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)NC(=O)C(F)(F)F)C1 ZINC001267777234 838543120 /nfs/dbraw/zinc/54/31/20/838543120.db2.gz LKKZYMMYBNAYHY-LLVKDONJSA-N 1 1 333.354 1.000 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)NC(=O)C(F)(F)F)C1 ZINC001267777234 838543129 /nfs/dbraw/zinc/54/31/29/838543129.db2.gz LKKZYMMYBNAYHY-LLVKDONJSA-N 1 1 333.354 1.000 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)nn2C)C1 ZINC001267781304 838555192 /nfs/dbraw/zinc/55/51/92/838555192.db2.gz FUUGCNCKQVNPEC-HUUCEWRRSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)nn2C)C1 ZINC001267781304 838555198 /nfs/dbraw/zinc/55/51/98/838555198.db2.gz FUUGCNCKQVNPEC-HUUCEWRRSA-N 1 1 345.447 0.403 20 30 ECEDMO CCN(C(=O)CC(N)=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001267783575 838557389 /nfs/dbraw/zinc/55/73/89/838557389.db2.gz CEIOXKRSTZEHMW-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO CCN(C(=O)CC(N)=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001267783575 838557394 /nfs/dbraw/zinc/55/73/94/838557394.db2.gz CEIOXKRSTZEHMW-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2nccn2CC)C1 ZINC001267784596 838559876 /nfs/dbraw/zinc/55/98/76/838559876.db2.gz QWPOCYRLYRRXSV-CABCVRRESA-N 1 1 345.447 0.577 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2nccn2CC)C1 ZINC001267784596 838559882 /nfs/dbraw/zinc/55/98/82/838559882.db2.gz QWPOCYRLYRRXSV-CABCVRRESA-N 1 1 345.447 0.577 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001267785255 838564099 /nfs/dbraw/zinc/56/40/99/838564099.db2.gz DXCBMLUHISQAII-CQSZACIVSA-N 1 1 334.420 0.046 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ncnn1CC ZINC001267804706 838583577 /nfs/dbraw/zinc/58/35/77/838583577.db2.gz AAMZJXWYYFYHHI-CABCVRRESA-N 1 1 332.452 0.380 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2CC)C1 ZINC001267949429 838840588 /nfs/dbraw/zinc/84/05/88/838840588.db2.gz KWFCBFAMQAQGEL-HZPDHXFCSA-N 1 1 325.453 0.490 20 30 ECEDMO C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C(=O)COC)CC2 ZINC001267973469 838904605 /nfs/dbraw/zinc/90/46/05/838904605.db2.gz RCXTVXGIZMCWKZ-UHFFFAOYSA-N 1 1 335.448 0.429 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC001268025513 839022391 /nfs/dbraw/zinc/02/23/91/839022391.db2.gz IPQDEIXTRHNIKB-INIZCTEOSA-N 1 1 349.406 0.835 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC001268025513 839022400 /nfs/dbraw/zinc/02/24/00/839022400.db2.gz IPQDEIXTRHNIKB-INIZCTEOSA-N 1 1 349.406 0.835 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1cccc(=O)[nH]1)CC2 ZINC001268044232 839200871 /nfs/dbraw/zinc/20/08/71/839200871.db2.gz SZESYYGCYUHXDO-UHFFFAOYSA-N 1 1 342.399 0.075 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C(C)(C)C ZINC001268060321 839244927 /nfs/dbraw/zinc/24/49/27/839244927.db2.gz UZHBQPFOILIPML-BLLLJJGKSA-N 1 1 338.456 0.692 20 30 ECEDMO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001268063171 839247932 /nfs/dbraw/zinc/24/79/32/839247932.db2.gz IENAOCXCDUEXJH-YOEHRIQHSA-N 1 1 347.463 0.876 20 30 ECEDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000177912388 529384956 /nfs/dbraw/zinc/38/49/56/529384956.db2.gz YGSBOVCZRSFNPK-OAHLLOKOSA-N 1 1 330.388 0.412 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000177120872 231801617 /nfs/dbraw/zinc/80/16/17/231801617.db2.gz MFFZXPQLJOPUCP-UHFFFAOYSA-N 1 1 342.399 0.820 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)CNc2cccc(C#N)c2)CC1 ZINC000426729909 210162359 /nfs/dbraw/zinc/16/23/59/210162359.db2.gz HWDWOYFPLFWCMZ-UHFFFAOYSA-N 1 1 329.404 0.250 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000067273261 215130382 /nfs/dbraw/zinc/13/03/82/215130382.db2.gz XEUFDGNMXJBHTE-UHFFFAOYSA-N 1 1 338.795 0.845 20 30 ECEDMO CCNC(=O)NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000037114980 213132723 /nfs/dbraw/zinc/13/27/23/213132723.db2.gz ODSWOSLESNYUIW-UHFFFAOYSA-N 1 1 343.431 0.912 20 30 ECEDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000268517403 283321041 /nfs/dbraw/zinc/32/10/41/283321041.db2.gz DYYDPDUKKLRVOV-AWEZNQCLSA-N 1 1 343.383 0.223 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)c1 ZINC001041661774 781944062 /nfs/dbraw/zinc/94/40/62/781944062.db2.gz YJVOJUVURJRMJL-UGSOOPFHSA-N 1 1 326.400 0.475 20 30 ECEDMO N#Cc1cccnc1N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000111682313 220179008 /nfs/dbraw/zinc/17/90/08/220179008.db2.gz XCZJYJLQNGFLKA-HNNXBMFYSA-N 1 1 329.404 0.059 20 30 ECEDMO COCC[N@H+](C)CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000444174629 211056439 /nfs/dbraw/zinc/05/64/39/211056439.db2.gz GQIJSHRXDUGKNU-UHFFFAOYSA-N 1 1 329.397 0.695 20 30 ECEDMO COCC[N@@H+](C)CCNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000444174629 211056443 /nfs/dbraw/zinc/05/64/43/211056443.db2.gz GQIJSHRXDUGKNU-UHFFFAOYSA-N 1 1 329.397 0.695 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000443250377 211001327 /nfs/dbraw/zinc/00/13/27/211001327.db2.gz BBHGDACFRLPMJQ-UHFFFAOYSA-N 1 1 338.433 0.421 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000440315893 210820209 /nfs/dbraw/zinc/82/02/09/210820209.db2.gz QHMQGNPIYOSAKR-UHFFFAOYSA-N 1 1 340.387 0.921 20 30 ECEDMO C#CCSCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000268627171 252080290 /nfs/dbraw/zinc/08/02/90/252080290.db2.gz LNVMYVPKXAESSZ-UHFFFAOYSA-N 1 1 326.466 0.158 20 30 ECEDMO C=CC[C@H](CO)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495417919 255007968 /nfs/dbraw/zinc/00/79/68/255007968.db2.gz FUWMPEVHBCTDPE-CQSZACIVSA-N 1 1 341.452 0.982 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1=O ZINC000496526893 255107980 /nfs/dbraw/zinc/10/79/80/255107980.db2.gz DVOCDVOOEVHJCJ-KGLIPLIRSA-N 1 1 341.452 0.933 20 30 ECEDMO Cn1cc(C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)cc1C#N ZINC000191206183 165030935 /nfs/dbraw/zinc/03/09/35/165030935.db2.gz XELYZKMWDJYQIM-UHFFFAOYSA-N 1 1 336.403 0.896 20 30 ECEDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(F)cc1C#N ZINC000122234569 222043830 /nfs/dbraw/zinc/04/38/30/222043830.db2.gz TZMQFHFPRNKPPX-UHFFFAOYSA-N 1 1 329.397 0.944 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001077963285 782024115 /nfs/dbraw/zinc/02/41/15/782024115.db2.gz LZYMAPFTPKKMBZ-HOTGVXAUSA-N 1 1 337.464 0.766 20 30 ECEDMO Cn1c(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C#N)c(=O)n(C)c1=O ZINC000270273805 263231825 /nfs/dbraw/zinc/23/18/25/263231825.db2.gz KUUPYFMOVOVWMP-GJZGRUSLSA-N 1 1 339.399 0.813 20 30 ECEDMO N#Cc1ncn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC000272426862 263348195 /nfs/dbraw/zinc/34/81/95/263348195.db2.gz PGFGPQFXNBMZMY-UHFFFAOYSA-N 1 1 334.383 0.971 20 30 ECEDMO N#Cc1ncn(CC[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)n1 ZINC000284967004 264263598 /nfs/dbraw/zinc/26/35/98/264263598.db2.gz CVSUUHAPZRNWJO-OAHLLOKOSA-N 1 1 328.351 0.898 20 30 ECEDMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)[C@H]2C1 ZINC000285072180 264275651 /nfs/dbraw/zinc/27/56/51/264275651.db2.gz ORUYGPKLOKPPRV-GJZGRUSLSA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)[C@H]2C1 ZINC000285072180 264275652 /nfs/dbraw/zinc/27/56/52/264275652.db2.gz ORUYGPKLOKPPRV-GJZGRUSLSA-N 1 1 339.392 0.791 20 30 ECEDMO Cc1cc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)ccc1C#N ZINC000285101179 264278455 /nfs/dbraw/zinc/27/84/55/264278455.db2.gz QBFGGAOUSIESNM-CVEARBPZSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)ccc1C#N ZINC000285101179 264278457 /nfs/dbraw/zinc/27/84/57/264278457.db2.gz QBFGGAOUSIESNM-CVEARBPZSA-N 1 1 335.429 0.960 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000288008376 264495158 /nfs/dbraw/zinc/49/51/58/264495158.db2.gz BUHSXPAOTRIAAH-UHFFFAOYSA-N 1 1 346.431 0.601 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000299226794 265353547 /nfs/dbraw/zinc/35/35/47/265353547.db2.gz AYJIUJHXBFASGM-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000362899927 267045792 /nfs/dbraw/zinc/04/57/92/267045792.db2.gz FPDGPZUMTRPQKD-MCIONIFRSA-N 1 1 328.420 0.583 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCOC(=O)NC(N)=O ZINC000271384871 267066956 /nfs/dbraw/zinc/06/69/56/267066956.db2.gz PVPLMGZFNLBMPN-LLVKDONJSA-N 1 1 347.379 0.054 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCOC(=O)NC(N)=O ZINC000271384871 267066960 /nfs/dbraw/zinc/06/69/60/267066960.db2.gz PVPLMGZFNLBMPN-LLVKDONJSA-N 1 1 347.379 0.054 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343319281 267067044 /nfs/dbraw/zinc/06/70/44/267067044.db2.gz ZHLGZRSJDXOOCH-OAGGEKHMSA-N 1 1 342.447 0.722 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343319281 267067050 /nfs/dbraw/zinc/06/70/50/267067050.db2.gz ZHLGZRSJDXOOCH-OAGGEKHMSA-N 1 1 342.447 0.722 20 30 ECEDMO Cc1cc(S(=O)(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)ccc1C#N ZINC000365219708 267354175 /nfs/dbraw/zinc/35/41/75/267354175.db2.gz KNYNNPDSSGESEM-CQSZACIVSA-N 1 1 337.445 0.944 20 30 ECEDMO Cc1cc(S(=O)(=O)N2CCC[N@H+]([C@H](C)CO)CC2)ccc1C#N ZINC000365219708 267354177 /nfs/dbraw/zinc/35/41/77/267354177.db2.gz KNYNNPDSSGESEM-CQSZACIVSA-N 1 1 337.445 0.944 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000275924509 267382862 /nfs/dbraw/zinc/38/28/62/267382862.db2.gz NBNUYIORIDIPBF-UHFFFAOYSA-N 1 1 340.387 0.921 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000346634500 268178851 /nfs/dbraw/zinc/17/88/51/268178851.db2.gz FRLWEKWJYKAFTL-HDEZJCGLSA-N 1 1 329.400 0.884 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)o1 ZINC000287710107 268199932 /nfs/dbraw/zinc/19/99/32/268199932.db2.gz FZTAEPPGILFCRN-GFCCVEGCSA-N 1 1 327.406 0.666 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000528432786 268300324 /nfs/dbraw/zinc/30/03/24/268300324.db2.gz SBRBJEUYOBXTGB-KGLIPLIRSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000528432786 268300326 /nfs/dbraw/zinc/30/03/26/268300326.db2.gz SBRBJEUYOBXTGB-KGLIPLIRSA-N 1 1 339.417 0.051 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000490900156 275382544 /nfs/dbraw/zinc/38/25/44/275382544.db2.gz TYVGTCTYISLGLZ-CQSZACIVSA-N 1 1 347.415 0.882 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000491754906 275384050 /nfs/dbraw/zinc/38/40/50/275384050.db2.gz WKJPRKDENZLLRO-TUAOUCFPSA-N 1 1 331.338 0.467 20 30 ECEDMO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000330715465 437597193 /nfs/dbraw/zinc/59/71/93/437597193.db2.gz SZOJKZOWSKAWAH-ZNMIVQPWSA-N 1 1 340.468 0.952 20 30 ECEDMO Cc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CC[C@@H]([NH+]3CCOCC3)[C@H]1C)CC2 ZINC000329634717 279139347 /nfs/dbraw/zinc/13/93/47/279139347.db2.gz XHKKITKFBJDWHJ-VHDGCEQUSA-N 1 1 348.451 0.610 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC001041720154 782051805 /nfs/dbraw/zinc/05/18/05/782051805.db2.gz LMYPMQYGJGKMKO-SFHVURJKSA-N 1 1 346.431 0.198 20 30 ECEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330761057 437607717 /nfs/dbraw/zinc/60/77/17/437607717.db2.gz NFKGYVXGTXMLML-CABCVRRESA-N 1 1 332.466 0.440 20 30 ECEDMO COCc1noc(CN2CC[NH+](CCCSCC#N)CC2)n1 ZINC000189632615 437608241 /nfs/dbraw/zinc/60/82/41/437608241.db2.gz AUTKXOSSAWSBAB-UHFFFAOYSA-N 1 1 325.438 0.980 20 30 ECEDMO C[C@@H](C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)n1cnc(C#N)n1 ZINC000343579157 437608872 /nfs/dbraw/zinc/60/88/72/437608872.db2.gz UWMRKXLGZLFORO-MJBXVCDLSA-N 1 1 334.424 0.716 20 30 ECEDMO C#C[C@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000190277025 437620945 /nfs/dbraw/zinc/62/09/45/437620945.db2.gz IAXJYXZSFTYILU-AWEZNQCLSA-N 1 1 329.400 0.638 20 30 ECEDMO C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000190289266 437621446 /nfs/dbraw/zinc/62/14/46/437621446.db2.gz OBAUFLBHWBHPFB-CQSZACIVSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC000081665983 436353303 /nfs/dbraw/zinc/35/33/03/436353303.db2.gz AQWYFRVMZYOHBN-QGZVFWFLSA-N 1 1 346.475 0.002 20 30 ECEDMO CN(Cc1ccc(C#N)cc1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000046227134 436389964 /nfs/dbraw/zinc/38/99/64/436389964.db2.gz OEJRHCJYLPCWAG-UHFFFAOYSA-N 1 1 343.431 0.864 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000046448889 436395455 /nfs/dbraw/zinc/39/54/55/436395455.db2.gz UQELURNVZSNFMA-ZDUSSCGKSA-N 1 1 344.415 0.652 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccc(C#N)c2)CC1 ZINC000047975476 436436012 /nfs/dbraw/zinc/43/60/12/436436012.db2.gz MGPYAJTVMXDKOU-MRXNPFEDSA-N 1 1 326.400 0.937 20 30 ECEDMO C#CCC[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000091480479 436450277 /nfs/dbraw/zinc/45/02/77/436450277.db2.gz OSIWPSJDNQGDBZ-UHFFFAOYSA-N 1 1 338.389 0.388 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000052909206 436518708 /nfs/dbraw/zinc/51/87/08/436518708.db2.gz GOAHKRZRRJIOBJ-UHFFFAOYSA-N 1 1 340.424 0.987 20 30 ECEDMO C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000151270137 436700691 /nfs/dbraw/zinc/70/06/91/436700691.db2.gz RXHCFBCLMVESKH-CJNGLKHVSA-N 1 1 332.404 0.955 20 30 ECEDMO C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000151270137 436700694 /nfs/dbraw/zinc/70/06/94/436700694.db2.gz RXHCFBCLMVESKH-CJNGLKHVSA-N 1 1 332.404 0.955 20 30 ECEDMO C[C@@H](CNC(=O)COc1ccccc1C#N)CN1CC[NH+](C)CC1 ZINC000121765706 436724482 /nfs/dbraw/zinc/72/44/82/436724482.db2.gz YTQUEQPDLWOVCE-HNNXBMFYSA-N 1 1 330.432 0.937 20 30 ECEDMO Cc1nc(-c2cccc(C#N)c2)nn1C[C@H](O)C[NH+]1CCOCC1 ZINC000152501840 436731451 /nfs/dbraw/zinc/73/14/51/436731451.db2.gz MMOFXEFIHGJIIZ-MRXNPFEDSA-N 1 1 327.388 0.818 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153332141 436755113 /nfs/dbraw/zinc/75/51/13/436755113.db2.gz HYOLCTLHKUADMV-JTQLQIEISA-N 1 1 335.412 0.351 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)CCCCC#N ZINC000068909722 436758095 /nfs/dbraw/zinc/75/80/95/436758095.db2.gz JRTIMNVPVVTZBE-CQSZACIVSA-N 1 1 344.481 0.542 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)CCCCC#N ZINC000068909722 436758099 /nfs/dbraw/zinc/75/80/99/436758099.db2.gz JRTIMNVPVVTZBE-CQSZACIVSA-N 1 1 344.481 0.542 20 30 ECEDMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(C)CC#N ZINC000068972294 436759366 /nfs/dbraw/zinc/75/93/66/436759366.db2.gz FNWOGBWHBYPMOK-OAHLLOKOSA-N 1 1 330.432 0.979 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000153892429 436765280 /nfs/dbraw/zinc/76/52/80/436765280.db2.gz CXOHMLUIDXCAJQ-ZDUSSCGKSA-N 1 1 338.452 0.871 20 30 ECEDMO C=CCN(CCOC)C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000248964631 436813918 /nfs/dbraw/zinc/81/39/18/436813918.db2.gz HDRGDWIYWNXEAY-JKSUJKDBSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246402228 436778883 /nfs/dbraw/zinc/77/88/83/436778883.db2.gz ITFCEIJRUDPNCV-FRFSOERESA-N 1 1 334.416 0.729 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246402228 436778888 /nfs/dbraw/zinc/77/88/88/436778888.db2.gz ITFCEIJRUDPNCV-FRFSOERESA-N 1 1 334.416 0.729 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000127253806 436799412 /nfs/dbraw/zinc/79/94/12/436799412.db2.gz SWOMYIABZDFTBQ-UHFFFAOYSA-N 1 1 334.445 0.715 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000131186721 436847976 /nfs/dbraw/zinc/84/79/76/436847976.db2.gz MVBKIZRANRGHFU-AWEZNQCLSA-N 1 1 344.481 0.542 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C(=O)NC)ccc1C ZINC000293328238 436865587 /nfs/dbraw/zinc/86/55/87/436865587.db2.gz JHZOFXCSBQZYCX-UHFFFAOYSA-N 1 1 344.415 0.364 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000274423522 436825597 /nfs/dbraw/zinc/82/55/97/436825597.db2.gz IQXUKACCKSYZKU-UHFFFAOYSA-N 1 1 338.795 0.581 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCn1cnc2sccc2c1=O ZINC000293914812 436918509 /nfs/dbraw/zinc/91/85/09/436918509.db2.gz GITGMOYNADYDHS-UHFFFAOYSA-N 1 1 332.429 0.919 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CSCC(=O)Nc1cc(C)on1 ZINC000293979628 436925284 /nfs/dbraw/zinc/92/52/84/436925284.db2.gz MVRRWQIHPTWNPT-UHFFFAOYSA-N 1 1 338.433 0.726 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000274948487 436897933 /nfs/dbraw/zinc/89/79/33/436897933.db2.gz OLKXFVVNWDAPPM-AWEZNQCLSA-N 1 1 345.399 0.474 20 30 ECEDMO C[N@H+]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 ZINC000162081809 436901518 /nfs/dbraw/zinc/90/15/18/436901518.db2.gz HTCGGWNGYMRRML-UHFFFAOYSA-N 1 1 332.408 0.612 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134894696 436905668 /nfs/dbraw/zinc/90/56/68/436905668.db2.gz XUVSVLYYPFJQAK-MJGOQNOKSA-N 1 1 344.503 0.713 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000294034348 436927941 /nfs/dbraw/zinc/92/79/41/436927941.db2.gz RVXJZLYLVQCBNK-NVXWUHKLSA-N 1 1 328.416 0.672 20 30 ECEDMO COCCOC[C@H](O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000295003348 436961814 /nfs/dbraw/zinc/96/18/14/436961814.db2.gz RZIFMUCNLJFEQT-QZTJIDSGSA-N 1 1 333.432 0.893 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281471745 436971376 /nfs/dbraw/zinc/97/13/76/436971376.db2.gz VZPXZOWEOCWKDH-CABCVRRESA-N 1 1 328.372 0.605 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281471745 436971380 /nfs/dbraw/zinc/97/13/80/436971380.db2.gz VZPXZOWEOCWKDH-CABCVRRESA-N 1 1 328.372 0.605 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000166199278 436937505 /nfs/dbraw/zinc/93/75/05/436937505.db2.gz AKFAOYYRFMZTKD-CVEARBPZSA-N 1 1 349.456 0.845 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000166199278 436937509 /nfs/dbraw/zinc/93/75/09/436937509.db2.gz AKFAOYYRFMZTKD-CVEARBPZSA-N 1 1 349.456 0.845 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000275265495 436947985 /nfs/dbraw/zinc/94/79/85/436947985.db2.gz SCILHNLXBUHCPD-KBPBESRZSA-N 1 1 347.415 0.859 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000275265495 436947987 /nfs/dbraw/zinc/94/79/87/436947987.db2.gz SCILHNLXBUHCPD-KBPBESRZSA-N 1 1 347.415 0.859 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000294357943 436950082 /nfs/dbraw/zinc/95/00/82/436950082.db2.gz ZUHITEAVDAWGLZ-MSOLQXFVSA-N 1 1 327.428 0.711 20 30 ECEDMO C#CCOc1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000296712591 436998075 /nfs/dbraw/zinc/99/80/75/436998075.db2.gz SWVGNKVHFFPWEK-INIZCTEOSA-N 1 1 330.432 0.744 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(Nc2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000296958099 436998341 /nfs/dbraw/zinc/99/83/41/436998341.db2.gz CLOJZHDZHYYAGL-UHFFFAOYSA-N 1 1 332.364 0.826 20 30 ECEDMO N#Cc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000264587818 437051094 /nfs/dbraw/zinc/05/10/94/437051094.db2.gz KZXLXZAKDBLDCH-OAHLLOKOSA-N 1 1 329.404 0.697 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284500308 437055236 /nfs/dbraw/zinc/05/52/36/437055236.db2.gz HAXLCLWECWLNBP-HZPDHXFCSA-N 1 1 334.424 0.159 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284500308 437055239 /nfs/dbraw/zinc/05/52/39/437055239.db2.gz HAXLCLWECWLNBP-HZPDHXFCSA-N 1 1 334.424 0.159 20 30 ECEDMO C[C@H](CO)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000284835360 437074636 /nfs/dbraw/zinc/07/46/36/437074636.db2.gz QQTAROAOWZIWQA-RHSMWYFYSA-N 1 1 348.422 0.847 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000264796795 437085741 /nfs/dbraw/zinc/08/57/41/437085741.db2.gz SNHLCKYSAJUGAJ-JFVSRZABSA-N 1 1 349.435 0.686 20 30 ECEDMO C[N@H+](CCC(N)=O)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000286432750 437091309 /nfs/dbraw/zinc/09/13/09/437091309.db2.gz LDPZAAXNKBCPOH-UHFFFAOYSA-N 1 1 326.360 0.490 20 30 ECEDMO C[N@@H+](CCC(N)=O)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000286432750 437091314 /nfs/dbraw/zinc/09/13/14/437091314.db2.gz LDPZAAXNKBCPOH-UHFFFAOYSA-N 1 1 326.360 0.490 20 30 ECEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000302961076 437153565 /nfs/dbraw/zinc/15/35/65/437153565.db2.gz LIRQVVJKAAANDD-OALUTQOASA-N 1 1 344.459 0.562 20 30 ECEDMO C[C@](C#N)(NC(=O)CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000304713447 437158880 /nfs/dbraw/zinc/15/88/80/437158880.db2.gz MOLUJZHMHCDFMR-XYJFISCASA-N 1 1 334.464 0.716 20 30 ECEDMO CC[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000331912145 437179997 /nfs/dbraw/zinc/17/99/97/437179997.db2.gz DBWLLOUDZWMYSV-KGLIPLIRSA-N 1 1 329.466 0.787 20 30 ECEDMO CC[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@H+]1C[C@@H](C)O ZINC000331912145 437180000 /nfs/dbraw/zinc/18/00/00/437180000.db2.gz DBWLLOUDZWMYSV-KGLIPLIRSA-N 1 1 329.466 0.787 20 30 ECEDMO CS(=O)(=O)N1CC[C@H](CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000328838624 437270222 /nfs/dbraw/zinc/27/02/22/437270222.db2.gz YGYPRRGYUZKGBU-CHWSQXEVSA-N 1 1 344.481 0.256 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CCO)C3CCC3)CC2)o1 ZINC000333417219 437269700 /nfs/dbraw/zinc/26/97/00/437269700.db2.gz HKOKUKHZFRXTGR-UHFFFAOYSA-N 1 1 347.419 0.350 20 30 ECEDMO CC(C)C[C@H](CNC(=O)N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000328728003 437258174 /nfs/dbraw/zinc/25/81/74/437258174.db2.gz VKCNGQZONPVKFU-HUUCEWRRSA-N 1 1 340.468 0.810 20 30 ECEDMO C[NH+](C)[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1 ZINC000336901933 437308291 /nfs/dbraw/zinc/30/82/91/437308291.db2.gz CBYPMBRGMYRWPK-LSDHHAIUSA-N 1 1 338.433 0.348 20 30 ECEDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336926574 437312363 /nfs/dbraw/zinc/31/23/63/437312363.db2.gz XIMGIFNEEXKIPO-ZIAGYGMSSA-N 1 1 330.454 0.310 20 30 ECEDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336926571 437313003 /nfs/dbraw/zinc/31/30/03/437313003.db2.gz XIMGIFNEEXKIPO-KBPBESRZSA-N 1 1 330.454 0.310 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000336953927 437318078 /nfs/dbraw/zinc/31/80/78/437318078.db2.gz XAULBAVCIFRHMY-QWHCGFSZSA-N 1 1 330.454 0.308 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000328854492 437273307 /nfs/dbraw/zinc/27/33/07/437273307.db2.gz XMHAAOSBTJFJLP-AWEZNQCLSA-N 1 1 337.468 0.233 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000328866101 437274725 /nfs/dbraw/zinc/27/47/25/437274725.db2.gz GNKPBADJCAXBQH-CABCVRRESA-N 1 1 336.436 0.651 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000328866101 437274729 /nfs/dbraw/zinc/27/47/29/437274729.db2.gz GNKPBADJCAXBQH-CABCVRRESA-N 1 1 336.436 0.651 20 30 ECEDMO C[N@@H+](CCO)C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000288193716 437291102 /nfs/dbraw/zinc/29/11/02/437291102.db2.gz BSFDMCREFMSACR-UHFFFAOYSA-N 1 1 337.445 0.777 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000334009871 437293400 /nfs/dbraw/zinc/29/34/00/437293400.db2.gz BYNGNKYOFJRTLE-ZOMKSWQUSA-N 1 1 339.436 0.639 20 30 ECEDMO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000278271606 437299284 /nfs/dbraw/zinc/29/92/84/437299284.db2.gz HRAHTYLRVJSARA-ILXRZTDVSA-N 1 1 349.435 0.271 20 30 ECEDMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000278271606 437299291 /nfs/dbraw/zinc/29/92/91/437299291.db2.gz HRAHTYLRVJSARA-ILXRZTDVSA-N 1 1 349.435 0.271 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000329006543 437300505 /nfs/dbraw/zinc/30/05/05/437300505.db2.gz ZBMIIYLEPPFQCN-YESZJQIVSA-N 1 1 333.432 0.909 20 30 ECEDMO COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000278762046 437340575 /nfs/dbraw/zinc/34/05/75/437340575.db2.gz VJNNDBKLDQQWSP-GDBMZVCRSA-N 1 1 334.420 0.488 20 30 ECEDMO Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CC[NH+](C[C@H](C)O)CC1)CC2 ZINC000329301779 437350034 /nfs/dbraw/zinc/35/00/34/437350034.db2.gz WLLWPKLYLCGTSZ-JSGCOSHPSA-N 1 1 336.440 0.061 20 30 ECEDMO Cc1nnc2n1C[C@H](CNC(=O)N1CC[NH+](C[C@H](C)O)CC1)CC2 ZINC000329301779 437350043 /nfs/dbraw/zinc/35/00/43/437350043.db2.gz WLLWPKLYLCGTSZ-JSGCOSHPSA-N 1 1 336.440 0.061 20 30 ECEDMO C[C@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)N1CC[NH+](C)CC1 ZINC000329328171 437353494 /nfs/dbraw/zinc/35/34/94/437353494.db2.gz XRDJDGKUGYKUNR-CQSZACIVSA-N 1 1 344.525 0.422 20 30 ECEDMO C[C@@H](CN1CCN(C)CC1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000329354746 437358477 /nfs/dbraw/zinc/35/84/77/437358477.db2.gz VNOMXGPQHCGUHC-HNNXBMFYSA-N 1 1 325.501 0.858 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1 ZINC000337518490 437361756 /nfs/dbraw/zinc/36/17/56/437361756.db2.gz WKVDCLBOPSEYAI-UHFFFAOYSA-N 1 1 330.388 0.363 20 30 ECEDMO Cn1cc(C[N@@H+]2CCCN(C(=O)NCCc3cnccn3)CC2)cn1 ZINC000329154036 437326283 /nfs/dbraw/zinc/32/62/83/437326283.db2.gz AIYOZIHZSAXVDP-UHFFFAOYSA-N 1 1 343.435 0.875 20 30 ECEDMO Cn1cc(C[N@H+]2CCCN(C(=O)NCCc3cnccn3)CC2)cn1 ZINC000329154036 437326286 /nfs/dbraw/zinc/32/62/86/437326286.db2.gz AIYOZIHZSAXVDP-UHFFFAOYSA-N 1 1 343.435 0.875 20 30 ECEDMO Cn1cnnc1[C@H]1CCCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329155950 437327064 /nfs/dbraw/zinc/32/70/64/437327064.db2.gz BVABXKWEWPSYBF-CYBMUJFWSA-N 1 1 349.439 0.030 20 30 ECEDMO CCOC(=O)CON=C(C(=O)NCC1=CC[N@H+](C)CC1)c1ccn[nH]1 ZINC000278612707 437327389 /nfs/dbraw/zinc/32/73/89/437327389.db2.gz LJRMWHFQHSHPES-HMMYKYKNSA-N 1 1 349.391 0.072 20 30 ECEDMO CCOC(=O)CON=C(C(=O)NCC1=CC[N@@H+](C)CC1)c1ccn[nH]1 ZINC000278612707 437327391 /nfs/dbraw/zinc/32/73/91/437327391.db2.gz LJRMWHFQHSHPES-HMMYKYKNSA-N 1 1 349.391 0.072 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329199729 437333862 /nfs/dbraw/zinc/33/38/62/437333862.db2.gz BCHGLXCFRBFBHB-KGLIPLIRSA-N 1 1 329.466 0.829 20 30 ECEDMO CCn1c(N)c(C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(=O)[nH]c1=O ZINC000338360249 437406029 /nfs/dbraw/zinc/40/60/29/437406029.db2.gz PUPCHFKKELWRAJ-JTQLQIEISA-N 1 1 341.371 0.956 20 30 ECEDMO COCC[NH+]1CCC(NC(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000329770234 437410726 /nfs/dbraw/zinc/41/07/26/437410726.db2.gz FVDPAGCMIXUDHK-ZDUSSCGKSA-N 1 1 333.454 0.178 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCCS(=O)(=O)C3)CC[C@@H]21 ZINC000329798849 437414992 /nfs/dbraw/zinc/41/49/92/437414992.db2.gz XPSLGBGHNWMTHU-MCIONIFRSA-N 1 1 329.466 0.894 20 30 ECEDMO Cn1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)cn1 ZINC000329810495 437415968 /nfs/dbraw/zinc/41/59/68/437415968.db2.gz QSIPHZSBTPIQMH-HUUCEWRRSA-N 1 1 349.483 0.138 20 30 ECEDMO Cn1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CN(C)CCN3C)C2)cn1 ZINC000329810495 437415974 /nfs/dbraw/zinc/41/59/74/437415974.db2.gz QSIPHZSBTPIQMH-HUUCEWRRSA-N 1 1 349.483 0.138 20 30 ECEDMO Cc1ccn(C[C@](C)(O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(=O)c1 ZINC000329832700 437419331 /nfs/dbraw/zinc/41/93/31/437419331.db2.gz GBZHLRUWROTQHI-YOEHRIQHSA-N 1 1 336.436 0.110 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337775008 437379871 /nfs/dbraw/zinc/37/98/71/437379871.db2.gz PQIFWRIBLLIIEH-KFWWJZLASA-N 1 1 346.497 0.944 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337775008 437379877 /nfs/dbraw/zinc/37/98/77/437379877.db2.gz PQIFWRIBLLIIEH-KFWWJZLASA-N 1 1 346.497 0.944 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)S1(=O)=O ZINC000329605004 437389580 /nfs/dbraw/zinc/38/95/80/437389580.db2.gz LYQAXQVDPKAETO-XQQFMLRXSA-N 1 1 329.466 0.892 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000329613929 437390441 /nfs/dbraw/zinc/39/04/41/437390441.db2.gz RYMUURXFNPBADV-HNNXBMFYSA-N 1 1 329.408 0.839 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)C1 ZINC000329621689 437392794 /nfs/dbraw/zinc/39/27/94/437392794.db2.gz GZMDMOFUEOGGAO-BFHYXJOUSA-N 1 1 331.482 0.901 20 30 ECEDMO CCC(=O)N1CC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000329942852 437434149 /nfs/dbraw/zinc/43/41/49/437434149.db2.gz DBRWHXHVVIURHK-KBPBESRZSA-N 1 1 325.457 0.137 20 30 ECEDMO Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)no1 ZINC000329955673 437435788 /nfs/dbraw/zinc/43/57/88/437435788.db2.gz PEKOQCZJDHHVLB-AVGNSLFASA-N 1 1 341.387 0.578 20 30 ECEDMO Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)no1 ZINC000329955673 437435792 /nfs/dbraw/zinc/43/57/92/437435792.db2.gz PEKOQCZJDHHVLB-AVGNSLFASA-N 1 1 341.387 0.578 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCn3ncnc3C2)C1 ZINC000329962169 437437453 /nfs/dbraw/zinc/43/74/53/437437453.db2.gz PARJLPKOTIZVMJ-CQSZACIVSA-N 1 1 336.440 0.407 20 30 ECEDMO N#CCCOCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000339079238 437438984 /nfs/dbraw/zinc/43/89/84/437438984.db2.gz HIMNVYHUXNOULI-AWEZNQCLSA-N 1 1 331.438 0.043 20 30 ECEDMO N#CCCOCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000339079238 437438987 /nfs/dbraw/zinc/43/89/87/437438987.db2.gz HIMNVYHUXNOULI-AWEZNQCLSA-N 1 1 331.438 0.043 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269073426 437451444 /nfs/dbraw/zinc/45/14/44/437451444.db2.gz FYZZCNRPRKCVGD-LBPRGKRZSA-N 1 1 349.822 0.512 20 30 ECEDMO Cn1cnc2c(c1=O)CCN(C(=O)NCC[NH+]1CCSCC1)C2 ZINC000330116345 437456416 /nfs/dbraw/zinc/45/64/16/437456416.db2.gz VGOAHCSDYZOHGT-UHFFFAOYSA-N 1 1 337.449 0.101 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1 ZINC000330140908 437459460 /nfs/dbraw/zinc/45/94/60/437459460.db2.gz XGUZWABRIODCPN-ZDUSSCGKSA-N 1 1 337.424 0.258 20 30 ECEDMO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)N2CC[NH+](C)CC2)CC(=O)N1C ZINC000330191829 437466425 /nfs/dbraw/zinc/46/64/25/437466425.db2.gz XJJAGYQHZZJNNS-CZUORRHYSA-N 1 1 348.451 0.470 20 30 ECEDMO C[C@H](NC(=O)N1CC[C@H](CS(C)(=O)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000330213310 437469379 /nfs/dbraw/zinc/46/93/79/437469379.db2.gz KWLNRWRQZXPGCV-STQMWFEESA-N 1 1 329.466 0.917 20 30 ECEDMO C#CCC(CC#C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000290577884 437502864 /nfs/dbraw/zinc/50/28/64/437502864.db2.gz QBLJJOAHTMIZSU-ALOPSCKCSA-N 1 1 329.444 0.849 20 30 ECEDMO CC(C)[N@@H+](C)CCNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000330435756 437510687 /nfs/dbraw/zinc/51/06/87/437510687.db2.gz MHLGNAKERVLFFS-UHFFFAOYSA-N 1 1 334.486 0.596 20 30 ECEDMO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000330495151 437530748 /nfs/dbraw/zinc/53/07/48/437530748.db2.gz VUPXUUZVRINPFZ-DTWKUNHWSA-N 1 1 339.314 0.852 20 30 ECEDMO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000330495151 437530754 /nfs/dbraw/zinc/53/07/54/437530754.db2.gz VUPXUUZVRINPFZ-DTWKUNHWSA-N 1 1 339.314 0.852 20 30 ECEDMO CCNC(=O)CN1CCCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188291312 437541241 /nfs/dbraw/zinc/54/12/41/437541241.db2.gz ASYGPELPHFGDJJ-UHFFFAOYSA-N 1 1 330.388 0.548 20 30 ECEDMO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000330547733 437546238 /nfs/dbraw/zinc/54/62/38/437546238.db2.gz QNKOAATWHANPIG-ZOBORPQBSA-N 1 1 327.425 0.677 20 30 ECEDMO CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000330547733 437546246 /nfs/dbraw/zinc/54/62/46/437546246.db2.gz QNKOAATWHANPIG-ZOBORPQBSA-N 1 1 327.425 0.677 20 30 ECEDMO C=C[C@@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000291037421 437554328 /nfs/dbraw/zinc/55/43/28/437554328.db2.gz PEHWBUGNPFYBOQ-GJZGRUSLSA-N 1 1 333.436 0.438 20 30 ECEDMO CCN(CC)S(=O)(=O)CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000330862421 437634907 /nfs/dbraw/zinc/63/49/07/437634907.db2.gz VSNJWUARDLEIPQ-ZDUSSCGKSA-N 1 1 332.470 0.352 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000291940193 437642492 /nfs/dbraw/zinc/64/24/92/437642492.db2.gz NIJHYBWGAUJQHR-QGZVFWFLSA-N 1 1 348.468 0.788 20 30 ECEDMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292047888 437653177 /nfs/dbraw/zinc/65/31/77/437653177.db2.gz BAKXLYRREDKROL-YPMHNXCESA-N 1 1 332.360 0.084 20 30 ECEDMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292047888 437653182 /nfs/dbraw/zinc/65/31/82/437653182.db2.gz BAKXLYRREDKROL-YPMHNXCESA-N 1 1 332.360 0.084 20 30 ECEDMO COC[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC000330939617 437654287 /nfs/dbraw/zinc/65/42/87/437654287.db2.gz WYGBJEIPQNRQGE-LSDHHAIUSA-N 1 1 329.441 0.604 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000355050814 437665566 /nfs/dbraw/zinc/66/55/66/437665566.db2.gz FYOBKNQFFAWTHM-OLZOCXBDSA-N 1 1 348.407 0.320 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000355050814 437665574 /nfs/dbraw/zinc/66/55/74/437665574.db2.gz FYOBKNQFFAWTHM-OLZOCXBDSA-N 1 1 348.407 0.320 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccnc(C#N)c2)CC1 ZINC000192674631 437689394 /nfs/dbraw/zinc/68/93/94/437689394.db2.gz VNYUBHPZWSGBDU-UHFFFAOYSA-N 1 1 329.404 0.674 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)CC[N@H+]1CCOC ZINC000331160405 437701384 /nfs/dbraw/zinc/70/13/84/437701384.db2.gz DYUSJYBYRIZTLQ-HUUCEWRRSA-N 1 1 340.468 0.952 20 30 ECEDMO C=CCC[C@H](O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292773061 437721297 /nfs/dbraw/zinc/72/12/97/437721297.db2.gz PIGRGWQYDFVUBT-ZDUSSCGKSA-N 1 1 328.434 0.972 20 30 ECEDMO C=CCSCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000355445930 437708040 /nfs/dbraw/zinc/70/80/40/437708040.db2.gz IGSKKYGWSCBQAX-ZDUSSCGKSA-N 1 1 328.482 0.792 20 30 ECEDMO C=C[C@@H](CO)NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000292674630 437710781 /nfs/dbraw/zinc/71/07/81/437710781.db2.gz ZNIWHSIPIYSOEO-INIZCTEOSA-N 1 1 346.431 0.420 20 30 ECEDMO COC(=O)[C@@H]1CCCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000331262533 437728328 /nfs/dbraw/zinc/72/83/28/437728328.db2.gz DOTCXLAMXMAHRL-CQSZACIVSA-N 1 1 340.468 0.811 20 30 ECEDMO CC1(C#N)CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000355764954 437730929 /nfs/dbraw/zinc/73/09/29/437730929.db2.gz IIMGDZMRWBVZSJ-AWEZNQCLSA-N 1 1 335.452 0.909 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000331289017 437734285 /nfs/dbraw/zinc/73/42/85/437734285.db2.gz OMIJVJKXJIIRJP-UHFFFAOYSA-N 1 1 335.412 0.079 20 30 ECEDMO N#CCCN(CCN1CCOCC1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000362851209 437757801 /nfs/dbraw/zinc/75/78/01/437757801.db2.gz LTPSSEZQDSQRLI-DLBZAZTESA-N 1 1 334.464 0.935 20 30 ECEDMO C[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C[NH+]1CCOCC1 ZINC000363337978 437784139 /nfs/dbraw/zinc/78/41/39/437784139.db2.gz YCVHBWSSZFVQEN-GDBMZVCRSA-N 1 1 335.452 0.336 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000341134935 437800903 /nfs/dbraw/zinc/80/09/03/437800903.db2.gz YMQSHUZCHBDVCM-IKGGRYGDSA-N 1 1 335.496 0.703 20 30 ECEDMO N#CCCn1ccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000370603958 437809345 /nfs/dbraw/zinc/80/93/45/437809345.db2.gz NDTCKEGNUIEQRC-GJZGRUSLSA-N 1 1 346.435 1.562 20 30 ECEDMO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000364303490 437814451 /nfs/dbraw/zinc/81/44/51/437814451.db2.gz NJKBNYBSLIFDOA-INIZCTEOSA-N 1 1 328.416 0.921 20 30 ECEDMO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)N(C)CCC#N ZINC000364303490 437814454 /nfs/dbraw/zinc/81/44/54/437814454.db2.gz NJKBNYBSLIFDOA-INIZCTEOSA-N 1 1 328.416 0.921 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000341545531 437864135 /nfs/dbraw/zinc/86/41/35/437864135.db2.gz KZLLKZYCSBLAOB-ZDUSSCGKSA-N 1 1 332.404 0.716 20 30 ECEDMO COCCC[N@@H+](CCC(=O)N(C)CCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000356995282 437882020 /nfs/dbraw/zinc/88/20/20/437882020.db2.gz GTPKEVTXCYCOEY-AWEZNQCLSA-N 1 1 345.465 0.274 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416302539 437908709 /nfs/dbraw/zinc/90/87/09/437908709.db2.gz WTXKWKBHWFNIEN-ZIAGYGMSSA-N 1 1 347.415 0.859 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416302539 437908713 /nfs/dbraw/zinc/90/87/13/437908713.db2.gz WTXKWKBHWFNIEN-ZIAGYGMSSA-N 1 1 347.415 0.859 20 30 ECEDMO C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000371545661 437951938 /nfs/dbraw/zinc/95/19/38/437951938.db2.gz WOUXZEAANKXTAB-RBSFLKMASA-N 1 1 338.452 0.477 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425318813 438020413 /nfs/dbraw/zinc/02/04/13/438020413.db2.gz PMHLLFXHZVXWAC-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 ZINC000357876610 438088994 /nfs/dbraw/zinc/08/89/94/438088994.db2.gz JGECGSWGWFIZPV-AWEZNQCLSA-N 1 1 331.424 0.523 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000428510929 438091866 /nfs/dbraw/zinc/09/18/66/438091866.db2.gz CMFLACCTJPWDEA-GUYCJALGSA-N 1 1 339.436 0.773 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000426197304 438051366 /nfs/dbraw/zinc/05/13/66/438051366.db2.gz BLSBKVHDPSKJMH-IXDOHACOSA-N 1 1 336.480 0.914 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000367197098 438181383 /nfs/dbraw/zinc/18/13/83/438181383.db2.gz QNSYGQNUMAZCML-INIZCTEOSA-N 1 1 326.400 0.113 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000367130936 438168541 /nfs/dbraw/zinc/16/85/41/438168541.db2.gz LITYDLWUIFSGLM-RBSFLKMASA-N 1 1 344.481 0.244 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC(N2C(=O)CCCC2=O)CC1 ZINC000375327121 438247724 /nfs/dbraw/zinc/24/77/24/438247724.db2.gz HIEBRSUJSGOVKF-UHFFFAOYSA-N 1 1 334.420 0.752 20 30 ECEDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000375742688 438261732 /nfs/dbraw/zinc/26/17/32/438261732.db2.gz MFMPYSYJDZQFTL-HZPDHXFCSA-N 1 1 333.436 0.437 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC(C)(C)C#N)CC2)CC1 ZINC000358630546 438269395 /nfs/dbraw/zinc/26/93/95/438269395.db2.gz WSRJEDUSBUPCTF-UHFFFAOYSA-N 1 1 335.452 0.732 20 30 ECEDMO C=CCN(CCOC)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000358637019 438270283 /nfs/dbraw/zinc/27/02/83/438270283.db2.gz MHQWCAABORHRFP-OAHLLOKOSA-N 1 1 340.468 0.773 20 30 ECEDMO COCCC[N@H+]1CCCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000377911996 438333776 /nfs/dbraw/zinc/33/37/76/438333776.db2.gz KSKNKEFSOLAGTB-UHFFFAOYSA-N 1 1 334.424 1.373 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000368522035 438342583 /nfs/dbraw/zinc/34/25/83/438342583.db2.gz KPAGGSSKAXFETB-CYBMUJFWSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CCC(CC#C)C(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000377317063 438307657 /nfs/dbraw/zinc/30/76/57/438307657.db2.gz ODPUOGTVAUDNSK-UHFFFAOYSA-N 1 1 331.460 0.516 20 30 ECEDMO N#CCNC(=O)Cn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000358855397 438316639 /nfs/dbraw/zinc/31/66/39/438316639.db2.gz PMPIFHUFONLGRR-UHFFFAOYSA-N 1 1 337.383 0.441 20 30 ECEDMO N#CCNC(=O)Cn1cnc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000358855397 438316644 /nfs/dbraw/zinc/31/66/44/438316644.db2.gz PMPIFHUFONLGRR-UHFFFAOYSA-N 1 1 337.383 0.441 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)n1 ZINC000359251684 438392806 /nfs/dbraw/zinc/39/28/06/438392806.db2.gz NVVJXBQVGGTDDV-UHFFFAOYSA-N 1 1 346.435 1.217 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000435424432 438364089 /nfs/dbraw/zinc/36/40/89/438364089.db2.gz VHKDXSYBNXIPGA-LLVKDONJSA-N 1 1 342.446 0.238 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000435424432 438364091 /nfs/dbraw/zinc/36/40/91/438364091.db2.gz VHKDXSYBNXIPGA-LLVKDONJSA-N 1 1 342.446 0.238 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)no1 ZINC000359157471 438368240 /nfs/dbraw/zinc/36/82/40/438368240.db2.gz GPBJKNGBSVSAMS-UHFFFAOYSA-N 1 1 340.387 0.965 20 30 ECEDMO N#Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000378354972 438378081 /nfs/dbraw/zinc/37/80/81/438378081.db2.gz MDMPMIMACLOVCI-AWEZNQCLSA-N 1 1 344.375 0.780 20 30 ECEDMO CN1CCN(C(=O)C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000378383726 438381998 /nfs/dbraw/zinc/38/19/98/438381998.db2.gz RLWOUDQSQVLDFR-UHFFFAOYSA-N 1 1 341.459 0.844 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[N@H+]1C ZINC000359232639 438385881 /nfs/dbraw/zinc/38/58/81/438385881.db2.gz TXHUQVVLPIXAMS-AAEUAGOBSA-N 1 1 346.435 1.047 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000407958788 438472633 /nfs/dbraw/zinc/47/26/33/438472633.db2.gz RWDGCEIJRACKLT-CHWSQXEVSA-N 1 1 332.470 0.100 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000369280134 438449325 /nfs/dbraw/zinc/44/93/25/438449325.db2.gz OOIATPIBAIFYKV-OAHLLOKOSA-N 1 1 329.408 0.789 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000369280134 438449327 /nfs/dbraw/zinc/44/93/27/438449327.db2.gz OOIATPIBAIFYKV-OAHLLOKOSA-N 1 1 329.408 0.789 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000369328757 438455946 /nfs/dbraw/zinc/45/59/46/438455946.db2.gz FODWZSQCGGUDJE-OAHLLOKOSA-N 1 1 349.479 0.553 20 30 ECEDMO CNC(=O)[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422080833 438514530 /nfs/dbraw/zinc/51/45/30/438514530.db2.gz BJSUTLJVBQFFDF-GXTWGEPZSA-N 1 1 326.356 0.258 20 30 ECEDMO CNC(=O)[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422080833 438514533 /nfs/dbraw/zinc/51/45/33/438514533.db2.gz BJSUTLJVBQFFDF-GXTWGEPZSA-N 1 1 326.356 0.258 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000369867799 438522493 /nfs/dbraw/zinc/52/24/93/438522493.db2.gz MFEZUGJDDQTBAU-OLZOCXBDSA-N 1 1 332.495 0.446 20 30 ECEDMO Cn1cc(C[C@@H]2CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)cn1 ZINC000370002563 438539612 /nfs/dbraw/zinc/53/96/12/438539612.db2.gz QKAZTCYCGWPQGL-HNNXBMFYSA-N 1 1 328.420 0.940 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000493709792 438644343 /nfs/dbraw/zinc/64/43/43/438644343.db2.gz JNMUWNPCPOBOJG-CABCVRRESA-N 1 1 328.372 0.605 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000493709792 438644346 /nfs/dbraw/zinc/64/43/46/438644346.db2.gz JNMUWNPCPOBOJG-CABCVRRESA-N 1 1 328.372 0.605 20 30 ECEDMO N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000444567484 438662784 /nfs/dbraw/zinc/66/27/84/438662784.db2.gz HCUPOHUFFWSIRX-ZDUSSCGKSA-N 1 1 344.419 0.868 20 30 ECEDMO N#Cc1ncc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000453714280 438690222 /nfs/dbraw/zinc/69/02/22/438690222.db2.gz HDCSFIAIXGSAGJ-NSHDSACASA-N 1 1 333.779 0.852 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000453821641 438697134 /nfs/dbraw/zinc/69/71/34/438697134.db2.gz PXLCXYGNROJJDO-OAHLLOKOSA-N 1 1 330.388 0.460 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000451328596 438698277 /nfs/dbraw/zinc/69/82/77/438698277.db2.gz KYLXULLMQUDBOE-JKSUJKDBSA-N 1 1 325.409 0.552 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000451328596 438698279 /nfs/dbraw/zinc/69/82/79/438698279.db2.gz KYLXULLMQUDBOE-JKSUJKDBSA-N 1 1 325.409 0.552 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451622573 438701320 /nfs/dbraw/zinc/70/13/20/438701320.db2.gz GPDBLAZFSBRBME-KFWWJZLASA-N 1 1 330.384 0.359 20 30 ECEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000574879772 438726722 /nfs/dbraw/zinc/72/67/22/438726722.db2.gz GCIQHPWUUHWFBB-BNOWGMLFSA-N 1 1 347.440 0.856 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](CO)C[C@@H]2C)CC1 ZINC000554746621 438768916 /nfs/dbraw/zinc/76/89/16/438768916.db2.gz ZQGIMTYDZGNOHO-YESZJQIVSA-N 1 1 336.480 0.772 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)OC)CC1 ZINC000497246739 438784855 /nfs/dbraw/zinc/78/48/55/438784855.db2.gz QWOJXJRGRVAGHL-AWEZNQCLSA-N 1 1 339.436 0.694 20 30 ECEDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000457107016 438794178 /nfs/dbraw/zinc/79/41/78/438794178.db2.gz VYLBWDYZCLJZKR-CQSZACIVSA-N 1 1 339.399 0.883 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000457107016 438794180 /nfs/dbraw/zinc/79/41/80/438794180.db2.gz VYLBWDYZCLJZKR-CQSZACIVSA-N 1 1 339.399 0.883 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC[C@H]21 ZINC000588129007 438820448 /nfs/dbraw/zinc/82/04/48/438820448.db2.gz XRZZMHQIWYWOIP-GDBMZVCRSA-N 1 1 347.463 0.033 20 30 ECEDMO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000560700630 438842699 /nfs/dbraw/zinc/84/26/99/438842699.db2.gz CMQDPHZVESZMAI-MRVPVSSYSA-N 1 1 332.330 0.795 20 30 ECEDMO C=CCNc1ncc(C(=O)NCC(=O)N2CC[NH+](CC)CC2)s1 ZINC000565031024 438906544 /nfs/dbraw/zinc/90/65/44/438906544.db2.gz IMYUZZNYHOTLNR-UHFFFAOYSA-N 1 1 337.449 0.635 20 30 ECEDMO C[C@H](NC(=O)C(=O)N(C)Cc1cccc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000589139087 438857183 /nfs/dbraw/zinc/85/71/83/438857183.db2.gz OBJBMWCLDLMMGJ-BBRMVZONSA-N 1 1 344.415 0.352 20 30 ECEDMO C[C@H](NC(=O)C(=O)N(C)Cc1cccc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000589139087 438857184 /nfs/dbraw/zinc/85/71/84/438857184.db2.gz OBJBMWCLDLMMGJ-BBRMVZONSA-N 1 1 344.415 0.352 20 30 ECEDMO N#C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000563018567 438858033 /nfs/dbraw/zinc/85/80/33/438858033.db2.gz OMCRVEYQIDIKOY-ARFHVFGLSA-N 1 1 348.447 0.508 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589454290 438871691 /nfs/dbraw/zinc/87/16/91/438871691.db2.gz VFRJXYJJLHRQPH-OAHLLOKOSA-N 1 1 327.388 0.332 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000577779004 438872425 /nfs/dbraw/zinc/87/24/25/438872425.db2.gz WCXZHGSMKJBJCY-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595869155 438874685 /nfs/dbraw/zinc/87/46/85/438874685.db2.gz VQQPRUMFBDLZGF-MSOLQXFVSA-N 1 1 345.443 0.829 20 30 ECEDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000458472911 438889848 /nfs/dbraw/zinc/88/98/48/438889848.db2.gz ZOUHYQKPGLBUDU-AWEZNQCLSA-N 1 1 332.404 0.645 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000458472911 438889854 /nfs/dbraw/zinc/88/98/54/438889854.db2.gz ZOUHYQKPGLBUDU-AWEZNQCLSA-N 1 1 332.404 0.645 20 30 ECEDMO CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCO[C@H](C#N)C1 ZINC000578287063 438909947 /nfs/dbraw/zinc/90/99/47/438909947.db2.gz UOJIWBSBOTZRHW-KGLIPLIRSA-N 1 1 333.392 0.234 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000590395442 438917711 /nfs/dbraw/zinc/91/77/11/438917711.db2.gz REYZPEDGAAFKCB-UHFFFAOYSA-N 1 1 329.404 0.250 20 30 ECEDMO Cc1cc(N[C@@H]2CC(=O)N(C)C2)c(C#N)c(N[C@H]2CC(=O)N(C)C2)[nH+]1 ZINC000596134744 438930707 /nfs/dbraw/zinc/93/07/07/438930707.db2.gz PRGWOYAOBKRJBF-NEPJUHHUSA-N 1 1 342.403 0.547 20 30 ECEDMO Cc1cc(N[C@H]2CC(=O)N(C)C2)c(C#N)c(N[C@@H]2CC(=O)N(C)C2)[nH+]1 ZINC000596134748 438930875 /nfs/dbraw/zinc/93/08/75/438930875.db2.gz PRGWOYAOBKRJBF-NWDGAFQWSA-N 1 1 342.403 0.547 20 30 ECEDMO C[NH+]1CCN(CCCCNC(=O)N2CCN(CCC#N)CC2)CC1 ZINC000601549863 438931042 /nfs/dbraw/zinc/93/10/42/438931042.db2.gz HSFJXDPZQJISRJ-UHFFFAOYSA-N 1 1 336.484 0.255 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(=O)NCC#N ZINC000601632020 438944238 /nfs/dbraw/zinc/94/42/38/438944238.db2.gz JRVOYXKTEPUSJF-HOCLYGCPSA-N 1 1 343.431 0.693 20 30 ECEDMO CC(C)N1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1=O ZINC000565475777 438955496 /nfs/dbraw/zinc/95/54/96/438955496.db2.gz FKBWUZUHANQFOB-ZDUSSCGKSA-N 1 1 336.417 0.326 20 30 ECEDMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000517742509 438974640 /nfs/dbraw/zinc/97/46/40/438974640.db2.gz GGAMEBUYHLOLDE-CQSZACIVSA-N 1 1 327.436 0.717 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC000459700259 438990478 /nfs/dbraw/zinc/99/04/78/438990478.db2.gz NQNRHLPKVXVHPJ-RDJZCZTQSA-N 1 1 331.416 0.835 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC000459700259 438990482 /nfs/dbraw/zinc/99/04/82/438990482.db2.gz NQNRHLPKVXVHPJ-RDJZCZTQSA-N 1 1 331.416 0.835 20 30 ECEDMO N#Cc1ncn(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000601965054 438992314 /nfs/dbraw/zinc/99/23/14/438992314.db2.gz MTIGRKVNFFJPSQ-QGZVFWFLSA-N 1 1 326.404 0.376 20 30 ECEDMO Cn1ncc2c1nc(N)nc2N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000579252104 438994669 /nfs/dbraw/zinc/99/46/69/438994669.db2.gz TWBLMLQQVHAZJG-UHFFFAOYSA-N 1 1 348.414 1.139 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602026249 438999419 /nfs/dbraw/zinc/99/94/19/438999419.db2.gz KNWLQGQZEXBHTM-UHFFFAOYSA-N 1 1 336.367 0.720 20 30 ECEDMO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000459956262 439043227 /nfs/dbraw/zinc/04/32/27/439043227.db2.gz ZUUVLODIHMMDFX-JKSUJKDBSA-N 1 1 326.400 0.679 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(CCC#N)CC2)CCCO1 ZINC000602302304 439060338 /nfs/dbraw/zinc/06/03/38/439060338.db2.gz LQXXWHYSHZDCKD-INIZCTEOSA-N 1 1 337.468 0.728 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(CCC#N)CC2)CCCO1 ZINC000602302306 439061168 /nfs/dbraw/zinc/06/11/68/439061168.db2.gz LQXXWHYSHZDCKD-MRXNPFEDSA-N 1 1 337.468 0.728 20 30 ECEDMO CN1CCN(C[C@H](O)C[NH2+]CCSCc2ccccc2C#N)CC1 ZINC000519775021 439061703 /nfs/dbraw/zinc/06/17/03/439061703.db2.gz ZWUXZLDDFFHUAA-GOSISDBHSA-N 1 1 348.516 0.989 20 30 ECEDMO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](CO)O1 ZINC000591475980 439018851 /nfs/dbraw/zinc/01/88/51/439018851.db2.gz HCAPFVKBHIFARF-WBVHZDCISA-N 1 1 334.416 0.964 20 30 ECEDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](CO)O1 ZINC000591475980 439018854 /nfs/dbraw/zinc/01/88/54/439018854.db2.gz HCAPFVKBHIFARF-WBVHZDCISA-N 1 1 334.416 0.964 20 30 ECEDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597330237 439079212 /nfs/dbraw/zinc/07/92/12/439079212.db2.gz YZRXLGINWCHUAA-CQSZACIVSA-N 1 1 337.420 0.793 20 30 ECEDMO CS(=O)(=O)N(CC[N@@H+]1CC[C@@](O)(CC#N)C1)Cc1ccccc1 ZINC000592153690 439166877 /nfs/dbraw/zinc/16/68/77/439166877.db2.gz NVISOZRLGGPUMI-INIZCTEOSA-N 1 1 337.445 0.799 20 30 ECEDMO CS(=O)(=O)N(CC[N@H+]1CC[C@@](O)(CC#N)C1)Cc1ccccc1 ZINC000592153690 439166880 /nfs/dbraw/zinc/16/68/80/439166880.db2.gz NVISOZRLGGPUMI-INIZCTEOSA-N 1 1 337.445 0.799 20 30 ECEDMO N#CC[C@]1(O)CC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000592152083 439167294 /nfs/dbraw/zinc/16/72/94/439167294.db2.gz TYZBWDMSBTWFHL-SFHVURJKSA-N 1 1 343.431 0.471 20 30 ECEDMO COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150780 439167346 /nfs/dbraw/zinc/16/73/46/439167346.db2.gz IWKORYAEBDKGOH-SUMWQHHRSA-N 1 1 336.388 0.794 20 30 ECEDMO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000592148035 439167436 /nfs/dbraw/zinc/16/74/36/439167436.db2.gz QKLVFYLPGRMSEG-GOSISDBHSA-N 1 1 344.415 0.241 20 30 ECEDMO N#CC[C@@]1(O)CC[N@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000592148035 439167439 /nfs/dbraw/zinc/16/74/39/439167439.db2.gz QKLVFYLPGRMSEG-GOSISDBHSA-N 1 1 344.415 0.241 20 30 ECEDMO N#CCCC[C@H]([NH3+])C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000567467671 439144560 /nfs/dbraw/zinc/14/45/60/439144560.db2.gz HSBQKXGELGGDFV-SFHVURJKSA-N 1 1 343.475 0.942 20 30 ECEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592147318 439165429 /nfs/dbraw/zinc/16/54/29/439165429.db2.gz NXPPSEZXWRVFGX-NVXWUHKLSA-N 1 1 333.388 0.735 20 30 ECEDMO CN1CCN(C(=O)C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000602989388 439177598 /nfs/dbraw/zinc/17/75/98/439177598.db2.gz NQEUHPCEPDOSRN-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO COCC(COC)[NH+]1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597775121 439178057 /nfs/dbraw/zinc/17/80/57/439178057.db2.gz REGKFAUDYDSTIQ-UHFFFAOYSA-N 1 1 339.436 0.502 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000592287679 439192805 /nfs/dbraw/zinc/19/28/05/439192805.db2.gz FAGSGVKTCPGABD-ZDUSSCGKSA-N 1 1 343.387 0.072 20 30 ECEDMO CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000603155342 439198040 /nfs/dbraw/zinc/19/80/40/439198040.db2.gz JCIHALSLJVEOCI-IRXDYDNUSA-N 1 1 328.416 0.926 20 30 ECEDMO CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000603155342 439198043 /nfs/dbraw/zinc/19/80/43/439198043.db2.gz JCIHALSLJVEOCI-IRXDYDNUSA-N 1 1 328.416 0.926 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000603208002 439208737 /nfs/dbraw/zinc/20/87/37/439208737.db2.gz HHAHZEGBNIHWST-HIFRSBDPSA-N 1 1 334.424 0.243 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000603208002 439208738 /nfs/dbraw/zinc/20/87/38/439208738.db2.gz HHAHZEGBNIHWST-HIFRSBDPSA-N 1 1 334.424 0.243 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000568502245 439252118 /nfs/dbraw/zinc/25/21/18/439252118.db2.gz JVFDWMYYQVKXEB-HNNXBMFYSA-N 1 1 346.435 0.233 20 30 ECEDMO N#CC1(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC2(CC2)C1 ZINC000603411617 439256662 /nfs/dbraw/zinc/25/66/62/439256662.db2.gz NKICCKJFBLONIM-INIZCTEOSA-N 1 1 346.475 0.983 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000603422290 439258988 /nfs/dbraw/zinc/25/89/88/439258988.db2.gz FQCLPHUTJRGGQH-HNNXBMFYSA-N 1 1 330.436 0.865 20 30 ECEDMO C[N@@H+](CCn1c(=O)c(C#N)cn(CCO)c1=O)Cc1ccc(F)cc1 ZINC000603427422 439259403 /nfs/dbraw/zinc/25/94/03/439259403.db2.gz UQPMFAFYWCBGFN-UHFFFAOYSA-N 1 1 346.362 0.145 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@H](C[S@](C)=O)c2ccccc2)CC1 ZINC000490951024 439318478 /nfs/dbraw/zinc/31/84/78/439318478.db2.gz VQQNKKBJOYJECP-OSPHWJPCSA-N 1 1 347.484 0.473 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000491070742 439328935 /nfs/dbraw/zinc/32/89/35/439328935.db2.gz DZZRXFCYOAHVIY-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000491117956 439333166 /nfs/dbraw/zinc/33/31/66/439333166.db2.gz AXQPQWDRLOXVDZ-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO C[C@@](C#N)(NC(=O)CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000603847941 439285409 /nfs/dbraw/zinc/28/54/09/439285409.db2.gz FZZVPPAYSFMOPP-WMZOPIPTSA-N 1 1 334.464 0.982 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](COC)Cc2ccccc2)CC1 ZINC000490742173 439293005 /nfs/dbraw/zinc/29/30/05/439293005.db2.gz VTMJCGZHOTWKRD-LJQANCHMSA-N 1 1 343.471 0.953 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@@H](COC)Cc2ccccc2)CC1 ZINC000490742173 439293008 /nfs/dbraw/zinc/29/30/08/439293008.db2.gz VTMJCGZHOTWKRD-LJQANCHMSA-N 1 1 343.471 0.953 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000490866008 439305342 /nfs/dbraw/zinc/30/53/42/439305342.db2.gz KXWNORPZZSJRDN-GOSISDBHSA-N 1 1 326.444 0.950 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000491254314 439357479 /nfs/dbraw/zinc/35/74/79/439357479.db2.gz RZLIGGJOSOZMAT-ZBFHGGJFSA-N 1 1 347.440 0.374 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000491373206 439373916 /nfs/dbraw/zinc/37/39/16/439373916.db2.gz MEDDFNXNDXYLIE-UHFFFAOYSA-N 1 1 338.496 0.941 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000491516181 439397132 /nfs/dbraw/zinc/39/71/32/439397132.db2.gz RNLJBHMOYNDDLQ-UONOGXRCSA-N 1 1 344.481 0.101 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1c(C)nn(C)c1-n1ccnc1C ZINC000491473448 439388858 /nfs/dbraw/zinc/38/88/58/439388858.db2.gz DIZLOJTXZKLFBR-UHFFFAOYSA-N 1 1 328.420 0.908 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000491617001 439412405 /nfs/dbraw/zinc/41/24/05/439412405.db2.gz JQBIKRTVKMNLPJ-UHFFFAOYSA-N 1 1 331.372 0.216 20 30 ECEDMO CN1CCN(c2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cn2)CC1 ZINC000599290027 439421667 /nfs/dbraw/zinc/42/16/67/439421667.db2.gz NWLLETFNNKOFGM-MRXNPFEDSA-N 1 1 329.448 0.978 20 30 ECEDMO CC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H](C)CS(C)(=O)=O ZINC000599293369 439422025 /nfs/dbraw/zinc/42/20/25/439422025.db2.gz WCCSDDGNACAPGG-ZIAGYGMSSA-N 1 1 332.466 0.813 20 30 ECEDMO CC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H](C)CS(C)(=O)=O ZINC000599293369 439422029 /nfs/dbraw/zinc/42/20/29/439422029.db2.gz WCCSDDGNACAPGG-ZIAGYGMSSA-N 1 1 332.466 0.813 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CSCC(=O)N1CCCCC1 ZINC000491671055 439423366 /nfs/dbraw/zinc/42/33/66/439423366.db2.gz PVSBBTZNLVKTBG-UHFFFAOYSA-N 1 1 325.478 0.803 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000491666959 439424254 /nfs/dbraw/zinc/42/42/54/439424254.db2.gz KKDDIJUZFGXXKC-OKZBNKHCSA-N 1 1 332.492 0.426 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](Cc2c(C)n(C)nc2C(=O)OC)CC1 ZINC000491680224 439427041 /nfs/dbraw/zinc/42/70/41/439427041.db2.gz HYTBPPBFQHPXPO-UHFFFAOYSA-N 1 1 332.404 0.477 20 30 ECEDMO C[N@@H+](CCN1CCCS1(=O)=O)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599305301 439427074 /nfs/dbraw/zinc/42/70/74/439427074.db2.gz XKHGREXYGDTNCQ-CQSZACIVSA-N 1 1 345.465 0.025 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CCOC)[C@H]2CCCSC2)CC1 ZINC000491727780 439437788 /nfs/dbraw/zinc/43/77/88/439437788.db2.gz CFRDAJSWUXMLRT-INIZCTEOSA-N 1 1 339.505 0.608 20 30 ECEDMO COC(=O)C1(O)CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000599345954 439441978 /nfs/dbraw/zinc/44/19/78/439441978.db2.gz DRZSONVEZAWPND-AWEZNQCLSA-N 1 1 334.372 0.298 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@]1(O)C[C@@H](OCC)C1(C)C ZINC000491811488 439456021 /nfs/dbraw/zinc/45/60/21/439456021.db2.gz LVBCSCBCBUOTJI-RHSMWYFYSA-N 1 1 325.453 0.807 20 30 ECEDMO CN(C)C(=O)[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000570908182 439461227 /nfs/dbraw/zinc/46/12/27/439461227.db2.gz ZOBOTMMVBGIXIZ-ZFWWWQNUSA-N 1 1 340.383 0.600 20 30 ECEDMO CN(C)C(=O)[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000570908182 439461229 /nfs/dbraw/zinc/46/12/29/439461229.db2.gz ZOBOTMMVBGIXIZ-ZFWWWQNUSA-N 1 1 340.383 0.600 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)/C=C\c2cccnc2)CC1 ZINC000491882643 439468388 /nfs/dbraw/zinc/46/83/88/439468388.db2.gz DLYQNUGNTUXNPO-SREVYHEPSA-N 1 1 326.400 0.379 20 30 ECEDMO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1nnnn1-c1ccccc1 ZINC000571040095 439470090 /nfs/dbraw/zinc/47/00/90/439470090.db2.gz RSZKWEGGWQRWDG-ZFWWWQNUSA-N 1 1 329.408 0.519 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000531283277 439506932 /nfs/dbraw/zinc/50/69/32/439506932.db2.gz GLNFCAHEPHPPAE-LBPRGKRZSA-N 1 1 330.388 0.963 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)n(CCC#N)n1 ZINC000533456362 439524065 /nfs/dbraw/zinc/52/40/65/439524065.db2.gz LOESKARCCMBJEQ-UHFFFAOYSA-N 1 1 344.419 0.598 20 30 ECEDMO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000533326142 439524842 /nfs/dbraw/zinc/52/48/42/439524842.db2.gz NBILALGJTQFMBK-UHFFFAOYSA-N 1 1 334.424 0.892 20 30 ECEDMO N#CCC1CC[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000542879784 439560304 /nfs/dbraw/zinc/56/03/04/439560304.db2.gz VSBXDTFWCRJXBZ-UHFFFAOYSA-N 1 1 336.417 0.898 20 30 ECEDMO CC[C@H](CC#N)[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000571535145 439512222 /nfs/dbraw/zinc/51/22/22/439512222.db2.gz KBZBFTLKZHSUIX-CYBMUJFWSA-N 1 1 330.392 0.785 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000609537711 439575565 /nfs/dbraw/zinc/57/55/65/439575565.db2.gz CVUSQZMFTUQKQE-SJORKVTESA-N 1 1 335.496 0.705 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)C1 ZINC000609675437 439584547 /nfs/dbraw/zinc/58/45/47/439584547.db2.gz SOODSXXCDXUMLS-INIZCTEOSA-N 1 1 348.472 0.959 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000600071074 439608478 /nfs/dbraw/zinc/60/84/78/439608478.db2.gz VPNSEHISRJDTFF-GFCCVEGCSA-N 1 1 336.779 0.333 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)CC(F)(F)F)nc1 ZINC000584719452 439609952 /nfs/dbraw/zinc/60/99/52/439609952.db2.gz GSVBNDULWUDGSR-SNVBAGLBSA-N 1 1 337.323 0.630 20 30 ECEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610391173 439612277 /nfs/dbraw/zinc/61/22/77/439612277.db2.gz ZXQRAHPEXQQIKV-LSDHHAIUSA-N 1 1 336.396 0.318 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC[N@@H+]1CC(C)(C)O ZINC000595173568 439668152 /nfs/dbraw/zinc/66/81/52/439668152.db2.gz ZRBUQYWYLRRBFT-SUMWQHHRSA-N 1 1 336.436 0.052 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC[N@H+]1CC(C)(C)O ZINC000595173568 439668154 /nfs/dbraw/zinc/66/81/54/439668154.db2.gz ZRBUQYWYLRRBFT-SUMWQHHRSA-N 1 1 336.436 0.052 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000587814663 439668734 /nfs/dbraw/zinc/66/87/34/439668734.db2.gz XZDRZUCOHYQOBR-OAHLLOKOSA-N 1 1 335.452 0.081 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)c1cccc(C#N)c1 ZINC000587718981 439669298 /nfs/dbraw/zinc/66/92/98/439669298.db2.gz PEVPNLMGMUSXKY-CYBMUJFWSA-N 1 1 346.456 0.900 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000612414613 439702909 /nfs/dbraw/zinc/70/29/09/439702909.db2.gz NKBMCRLFUAPUNJ-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO N#Cc1ccccc1N1CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000600846909 439709481 /nfs/dbraw/zinc/70/94/81/439709481.db2.gz UNVGFFNXCGEFEX-QGZVFWFLSA-N 1 1 345.443 0.973 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000613790147 439764072 /nfs/dbraw/zinc/76/40/72/439764072.db2.gz KKEURZFUWWFILZ-UKRRQHHQSA-N 1 1 325.453 0.761 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000615791730 439806628 /nfs/dbraw/zinc/80/66/28/439806628.db2.gz TXSIDAPTWGEFSK-JKSUJKDBSA-N 1 1 333.480 0.649 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001041735808 782084689 /nfs/dbraw/zinc/08/46/89/782084689.db2.gz JILXYNFZUDLNDV-ZBFHGGJFSA-N 1 1 341.477 0.521 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000636659109 439981164 /nfs/dbraw/zinc/98/11/64/439981164.db2.gz NLROCXVPKGDBAT-AWEZNQCLSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000658758739 440105944 /nfs/dbraw/zinc/10/59/44/440105944.db2.gz GFNKSMYQNPKHTK-UHFFFAOYSA-N 1 1 341.452 0.265 20 30 ECEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)nn1 ZINC000653486005 440191836 /nfs/dbraw/zinc/19/18/36/440191836.db2.gz GQUCDPRLFMMNFZ-OAHLLOKOSA-N 1 1 333.436 0.925 20 30 ECEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)nn1 ZINC000653486005 440191840 /nfs/dbraw/zinc/19/18/40/440191840.db2.gz GQUCDPRLFMMNFZ-OAHLLOKOSA-N 1 1 333.436 0.925 20 30 ECEDMO C=CCOCCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000666521030 440652839 /nfs/dbraw/zinc/65/28/39/440652839.db2.gz LNODKBIONXTZGB-HNNXBMFYSA-N 1 1 338.452 0.527 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661178883 440808012 /nfs/dbraw/zinc/80/80/12/440808012.db2.gz BRJOWHSDDGQFLE-GASCZTMLSA-N 1 1 327.384 0.406 20 30 ECEDMO C=CCOCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000661305714 440829519 /nfs/dbraw/zinc/82/95/19/440829519.db2.gz WYWAKSGTSKUCBJ-UHFFFAOYSA-N 1 1 327.425 0.370 20 30 ECEDMO CC#CCNCc1cn(C[C@H](O)C[N@@H+](C)Cc2ccccc2)nn1 ZINC000641215146 441076186 /nfs/dbraw/zinc/07/61/86/441076186.db2.gz NYSYVYHXKQPDNJ-GOSISDBHSA-N 1 1 327.432 0.884 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000559437766 322219868 /nfs/dbraw/zinc/21/98/68/322219868.db2.gz ZKARLZFIQDCHQY-OAHLLOKOSA-N 1 1 343.431 0.934 20 30 ECEDMO N#Cc1cnn2c1NC[C@H](C[N@H+]1CCO[C@@H](COCC3CC3)C1)C2 ZINC000563149666 322301660 /nfs/dbraw/zinc/30/16/60/322301660.db2.gz KRACBXITJVEHAV-GDBMZVCRSA-N 1 1 331.420 0.924 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C2)C1 ZINC001041740175 782096775 /nfs/dbraw/zinc/09/67/75/782096775.db2.gz OCDATYNEHMCXRQ-SFHVURJKSA-N 1 1 339.399 0.502 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001078003102 782114086 /nfs/dbraw/zinc/11/40/86/782114086.db2.gz YTSTVSGASDRIFP-HUUCEWRRSA-N 1 1 332.404 0.789 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CCN(C(=O)c4cnon4)C3)C2)C1=O ZINC001041747738 782116283 /nfs/dbraw/zinc/11/62/83/782116283.db2.gz BTVIMDSSNOQFQL-WMLDXEAASA-N 1 1 345.403 0.395 20 30 ECEDMO CCn1cnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c1 ZINC001078015884 782143596 /nfs/dbraw/zinc/14/35/96/782143596.db2.gz NITHPCUBKIVMSJ-NVXWUHKLSA-N 1 1 339.399 0.750 20 30 ECEDMO CCn1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c1 ZINC001078015884 782143605 /nfs/dbraw/zinc/14/36/05/782143605.db2.gz NITHPCUBKIVMSJ-NVXWUHKLSA-N 1 1 339.399 0.750 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000164547506 527020515 /nfs/dbraw/zinc/02/05/15/527020515.db2.gz PAOHQZWSROJZAZ-MRXNPFEDSA-N 1 1 345.443 0.830 20 30 ECEDMO CN1C(=O)N[C@]2(CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC000329280322 546019171 /nfs/dbraw/zinc/01/91/71/546019171.db2.gz LZOLNYHIEGFWNY-SXBLYGPUSA-N 1 1 349.435 0.746 20 30 ECEDMO C=C[C@@H](C(=O)OC)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000619717901 546363115 /nfs/dbraw/zinc/36/31/15/546363115.db2.gz XERKKSYSQRHZAI-INIZCTEOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000668493116 547666929 /nfs/dbraw/zinc/66/69/29/547666929.db2.gz FFSSVUSNANTOMC-UHFFFAOYSA-N 1 1 345.443 0.870 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000668493116 547666935 /nfs/dbraw/zinc/66/69/35/547666935.db2.gz FFSSVUSNANTOMC-UHFFFAOYSA-N 1 1 345.443 0.870 20 30 ECEDMO C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679512655 549101030 /nfs/dbraw/zinc/10/10/30/549101030.db2.gz JZVJQGVVFREZJX-GFCCVEGCSA-N 1 1 329.360 0.507 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001078028065 782171360 /nfs/dbraw/zinc/17/13/60/782171360.db2.gz XFZWERIVPKCTRS-HZPDHXFCSA-N 1 1 329.400 0.669 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC001041772828 782172020 /nfs/dbraw/zinc/17/20/20/782172020.db2.gz QBVTYMHATYYMQX-SFHVURJKSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC001041772815 782172057 /nfs/dbraw/zinc/17/20/57/782172057.db2.gz PKDPKDBCVBBVLK-GOSISDBHSA-N 1 1 346.431 0.265 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2O)cn1 ZINC001078032596 782180828 /nfs/dbraw/zinc/18/08/28/782180828.db2.gz WJSIDEKQTACPKO-GVDBMIGSSA-N 1 1 329.400 0.407 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3C)C[C@H]2O)cn1 ZINC001078032617 782181290 /nfs/dbraw/zinc/18/12/90/782181290.db2.gz XKYUQARBNKAKJO-QZTJIDSGSA-N 1 1 336.395 0.741 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@H]2O)cn1 ZINC001078032617 782181296 /nfs/dbraw/zinc/18/12/96/782181296.db2.gz XKYUQARBNKAKJO-QZTJIDSGSA-N 1 1 336.395 0.741 20 30 ECEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cccc(S(N)(=O)=O)c1 ZINC000753936181 579409418 /nfs/dbraw/zinc/40/94/18/579409418.db2.gz RZUPNPPYFRTVLY-ZIAGYGMSSA-N 1 1 335.433 0.918 20 30 ECEDMO C[NH+]1CCN(c2ncc(C=NNC(=S)NC(C)(C)C)cn2)CC1 ZINC000755566115 579435393 /nfs/dbraw/zinc/43/53/93/579435393.db2.gz YWBKTVFEYJNIDX-UHFFFAOYSA-N 1 1 335.481 0.825 20 30 ECEDMO CC(C)C[N@H+](CCC#N)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000755671219 579436800 /nfs/dbraw/zinc/43/68/00/579436800.db2.gz VXDAQUGMZYPFAM-UHFFFAOYSA-N 1 1 332.408 0.305 20 30 ECEDMO CC(C)C[N@@H+](CCC#N)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000755671219 579436801 /nfs/dbraw/zinc/43/68/01/579436801.db2.gz VXDAQUGMZYPFAM-UHFFFAOYSA-N 1 1 332.408 0.305 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000732068672 578318728 /nfs/dbraw/zinc/31/87/28/578318728.db2.gz FNIBCLZCLVWBCZ-BBRMVZONSA-N 1 1 349.456 0.870 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000732068672 578318729 /nfs/dbraw/zinc/31/87/29/578318729.db2.gz FNIBCLZCLVWBCZ-BBRMVZONSA-N 1 1 349.456 0.870 20 30 ECEDMO N#C[C@H]1CN(C(=S)NCCC[NH+]2CCOCC2)CCN1C1CC1 ZINC000732625012 578328200 /nfs/dbraw/zinc/32/82/00/578328200.db2.gz ALCQDPJEUHIQHY-HNNXBMFYSA-N 1 1 337.493 0.255 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NNC(=S)NCC(N)=O ZINC000734365337 578357378 /nfs/dbraw/zinc/35/73/78/578357378.db2.gz WRDAGYAONRDEIX-GFCCVEGCSA-N 1 1 333.461 0.834 20 30 ECEDMO N#CC1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000734686960 578366586 /nfs/dbraw/zinc/36/65/86/578366586.db2.gz ZBJLDOJZFYPHMV-MRXNPFEDSA-N 1 1 335.452 0.338 20 30 ECEDMO COc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cn1 ZINC000780196279 578689841 /nfs/dbraw/zinc/68/98/41/578689841.db2.gz PUOYYGFHEARIQR-UHFFFAOYSA-N 1 1 337.449 0.611 20 30 ECEDMO C#CCNC(=O)CNc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000780298327 578691013 /nfs/dbraw/zinc/69/10/13/578691013.db2.gz HXFOLAHJQXJKDT-UHFFFAOYSA-N 1 1 328.416 0.512 20 30 ECEDMO C=CCn1nnn(CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1=S ZINC000780512930 578695465 /nfs/dbraw/zinc/69/54/65/578695465.db2.gz YCZMLEYTPWPNHR-GFCCVEGCSA-N 1 1 326.470 0.730 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)NCc2ccc(C#N)cn2)[C@H](C)C1 ZINC000780655564 578698603 /nfs/dbraw/zinc/69/86/03/578698603.db2.gz XXDACOBJEWXXFJ-CYBMUJFWSA-N 1 1 345.403 0.732 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)NCc2ccc(C#N)cn2)[C@H](C)C1 ZINC000780655564 578698604 /nfs/dbraw/zinc/69/86/04/578698604.db2.gz XXDACOBJEWXXFJ-CYBMUJFWSA-N 1 1 345.403 0.732 20 30 ECEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000785220624 578764846 /nfs/dbraw/zinc/76/48/46/578764846.db2.gz JWTFKJRSPXIGRI-KGLIPLIRSA-N 1 1 330.392 0.430 20 30 ECEDMO C=CCNC(=O)NC(=O)COC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000786815133 578794705 /nfs/dbraw/zinc/79/47/05/578794705.db2.gz SDZXPXQEVCZBCE-UHFFFAOYSA-N 1 1 345.399 0.990 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000793843339 578940813 /nfs/dbraw/zinc/94/08/13/578940813.db2.gz IQQAMFUNDCNEJG-SJORKVTESA-N 1 1 343.427 0.532 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000766338225 579085719 /nfs/dbraw/zinc/08/57/19/579085719.db2.gz GQDYWHMZSVYOIX-MRXNPFEDSA-N 1 1 326.400 0.442 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000769610450 579148611 /nfs/dbraw/zinc/14/86/11/579148611.db2.gz DHNOMVCAIZUQAP-CCEZHUSRSA-N 1 1 335.408 0.250 20 30 ECEDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000771321070 579187591 /nfs/dbraw/zinc/18/75/91/579187591.db2.gz JCYIZNQSJPQOQI-PFONDFGASA-N 1 1 335.408 0.248 20 30 ECEDMO C#C[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H]1CCCO1 ZINC000772886601 579216386 /nfs/dbraw/zinc/21/63/86/579216386.db2.gz RALRLIPNGHRTSL-HOTGVXAUSA-N 1 1 330.432 0.929 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N2CCCC[C@H]2C(=O)OCC)CC1 ZINC000776594567 579285660 /nfs/dbraw/zinc/28/56/60/579285660.db2.gz NFLVVLXKYVOHNJ-INIZCTEOSA-N 1 1 335.448 0.572 20 30 ECEDMO N#CCc1ccccc1CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000777382252 579297494 /nfs/dbraw/zinc/29/74/94/579297494.db2.gz KAPCKPCRYCFDOC-KRWDZBQOSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000761037975 579519924 /nfs/dbraw/zinc/51/99/24/579519924.db2.gz RGEBMVRPCGLLDH-UHFFFAOYSA-N 1 1 344.440 0.820 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[N@@H+](C)[C@H](C)C3)CC2)o1 ZINC000761079079 579521066 /nfs/dbraw/zinc/52/10/66/579521066.db2.gz YHJVATCRWSVYNA-CYBMUJFWSA-N 1 1 346.435 0.139 20 30 ECEDMO C#CCCN1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000746190368 579832363 /nfs/dbraw/zinc/83/23/63/579832363.db2.gz HVYBPTKTFUMZLZ-HXUWFJFHSA-N 1 1 341.455 0.791 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)OCC[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000837489051 588953347 /nfs/dbraw/zinc/95/33/47/588953347.db2.gz FGCSEPXREPOOPP-LBPRGKRZSA-N 1 1 337.376 0.381 20 30 ECEDMO C[NH+](C)C1(CS(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000867236892 588960723 /nfs/dbraw/zinc/96/07/23/588960723.db2.gz RGSWSMYZVRKDTO-UHFFFAOYSA-N 1 1 349.460 0.499 20 30 ECEDMO C#CC[C@H](NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)C(=O)OC ZINC000837941384 588966611 /nfs/dbraw/zinc/96/66/11/588966611.db2.gz FQIMYBGWDPXHAX-KKUMJFAQSA-N 1 1 349.431 0.000 20 30 ECEDMO C#CC[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837944049 588966802 /nfs/dbraw/zinc/96/68/02/588966802.db2.gz ZNEIQELRASPPLL-IRXDYDNUSA-N 1 1 344.411 0.959 20 30 ECEDMO C#CC[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837944049 588966804 /nfs/dbraw/zinc/96/68/04/588966804.db2.gz ZNEIQELRASPPLL-IRXDYDNUSA-N 1 1 344.411 0.959 20 30 ECEDMO O=C1[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)CCCN1O ZINC000895157323 586167217 /nfs/dbraw/zinc/16/72/17/586167217.db2.gz APWDKPBCAGPDRR-JTQLQIEISA-N 1 1 340.181 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@]2(c3cnn(C)c3)CCCO2)C1 ZINC000896487743 586243477 /nfs/dbraw/zinc/24/34/77/586243477.db2.gz CBXXGVYOWKGBJG-AEFFLSMTSA-N 1 1 345.447 0.823 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@]2(c3cnn(C)c3)CCCO2)C1 ZINC000896487743 586243480 /nfs/dbraw/zinc/24/34/80/586243480.db2.gz CBXXGVYOWKGBJG-AEFFLSMTSA-N 1 1 345.447 0.823 20 30 ECEDMO C#CC1(O)CN(C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000893168132 586314434 /nfs/dbraw/zinc/31/44/34/586314434.db2.gz KXQPEBWMRFZDLY-NVXWUHKLSA-N 1 1 343.427 0.665 20 30 ECEDMO C#CC1(O)CN(C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000893168132 586314436 /nfs/dbraw/zinc/31/44/36/586314436.db2.gz KXQPEBWMRFZDLY-NVXWUHKLSA-N 1 1 343.427 0.665 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@H+](C)C1 ZINC000840505448 586390664 /nfs/dbraw/zinc/39/06/64/586390664.db2.gz WXIIPYHGAWXDFR-CQSZACIVSA-N 1 1 344.367 0.330 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@@H+](C)C1 ZINC000840505448 586390665 /nfs/dbraw/zinc/39/06/65/586390665.db2.gz WXIIPYHGAWXDFR-CQSZACIVSA-N 1 1 344.367 0.330 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)c1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000894957244 586420823 /nfs/dbraw/zinc/42/08/23/586420823.db2.gz DZISZWACEHMVLY-UHFFFAOYSA-N 1 1 335.339 0.816 20 30 ECEDMO CC(C)N1CC[NH+](CCC(=O)NCCNc2ccc(C#N)cn2)CC1 ZINC000900158063 586527306 /nfs/dbraw/zinc/52/73/06/586527306.db2.gz RVAPXLKEHVFBQQ-UHFFFAOYSA-N 1 1 344.463 0.897 20 30 ECEDMO C#CCCN1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000900473582 586637067 /nfs/dbraw/zinc/63/70/67/586637067.db2.gz GRXMWCMQQZZNTP-INIZCTEOSA-N 1 1 335.448 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCC2N=NC(=S)N2CC)C1 ZINC000889233409 586772366 /nfs/dbraw/zinc/77/23/66/586772366.db2.gz WASJNBGTCNQGMK-LBPRGKRZSA-N 1 1 336.465 0.526 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC2N=NC(=S)N2CC)C1 ZINC000889233409 586772369 /nfs/dbraw/zinc/77/23/69/586772369.db2.gz WASJNBGTCNQGMK-LBPRGKRZSA-N 1 1 336.465 0.526 20 30 ECEDMO CSc1ccc(C[NH2+]C[C@@H](O)CN2CCN(C)CC2)cc1C#N ZINC000905463925 586895885 /nfs/dbraw/zinc/89/58/85/586895885.db2.gz BFGJMZSFAJHEAA-MRXNPFEDSA-N 1 1 334.489 0.978 20 30 ECEDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758190444 586896206 /nfs/dbraw/zinc/89/62/06/586896206.db2.gz FTZHLVBJTZAMPX-ZFWWWQNUSA-N 1 1 332.404 0.541 20 30 ECEDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758190444 586896208 /nfs/dbraw/zinc/89/62/08/586896208.db2.gz FTZHLVBJTZAMPX-ZFWWWQNUSA-N 1 1 332.404 0.541 20 30 ECEDMO COc1cccc([C@@H](C#N)NC(=O)C2CN(C)CC[N@@H+](C)C2)c1OC ZINC000906576731 586956777 /nfs/dbraw/zinc/95/67/77/586956777.db2.gz GFAQAQIRHVOAPH-OAHLLOKOSA-N 1 1 346.431 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000804643775 587089430 /nfs/dbraw/zinc/08/94/30/587089430.db2.gz DWMKOWGDPAQBOJ-ALOPSCKCSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1 ZINC000808956546 587165884 /nfs/dbraw/zinc/16/58/84/587165884.db2.gz LXYVREUILYBIIM-UHFFFAOYSA-N 1 1 344.459 0.948 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)c1 ZINC000808956546 587165885 /nfs/dbraw/zinc/16/58/85/587165885.db2.gz LXYVREUILYBIIM-UHFFFAOYSA-N 1 1 344.459 0.948 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)[C@@H]1CCCO1 ZINC000809310038 587174577 /nfs/dbraw/zinc/17/45/77/587174577.db2.gz RYAIEEJTIUKWLQ-JONQDZQNSA-N 1 1 335.448 0.472 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCCO1 ZINC000809313745 587175232 /nfs/dbraw/zinc/17/52/32/587175232.db2.gz UUQDSLNVPIHHJL-HRCADAONSA-N 1 1 335.448 0.616 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCCO1 ZINC000809314187 587175431 /nfs/dbraw/zinc/17/54/31/587175431.db2.gz ZGSKUUGCRLDCQF-PMPSAXMXSA-N 1 1 333.432 0.417 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000809405812 587177043 /nfs/dbraw/zinc/17/70/43/587177043.db2.gz SBSOHSVHRUUTOR-LDYMZIIASA-N 1 1 330.226 0.610 20 30 ECEDMO C=CCN1CCN(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000840175931 587177314 /nfs/dbraw/zinc/17/73/14/587177314.db2.gz BFTCGMVBYKSODB-GOSISDBHSA-N 1 1 328.416 0.997 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000814145233 587270910 /nfs/dbraw/zinc/27/09/10/587270910.db2.gz MDYDAWBGPUKDIN-GOEBONIOSA-N 1 1 347.440 0.374 20 30 ECEDMO C=C[C@@H](O)C(=O)OCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000814546835 587276630 /nfs/dbraw/zinc/27/66/30/587276630.db2.gz MCADBZACKWFJBL-MRXNPFEDSA-N 1 1 332.400 0.729 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000815063054 587281955 /nfs/dbraw/zinc/28/19/55/587281955.db2.gz UWUZPAKBHSMHIR-UONOGXRCSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000815063054 587281956 /nfs/dbraw/zinc/28/19/56/587281956.db2.gz UWUZPAKBHSMHIR-UONOGXRCSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000815704958 587296231 /nfs/dbraw/zinc/29/62/31/587296231.db2.gz USPSETIMCRJBOP-DOMZBBRYSA-N 1 1 345.374 0.939 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000817812453 587386717 /nfs/dbraw/zinc/38/67/17/587386717.db2.gz LHRFLPSVXHDXMF-HNNXBMFYSA-N 1 1 343.427 0.369 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000817839035 587388533 /nfs/dbraw/zinc/38/85/33/587388533.db2.gz GAODQKRBHSJVSA-DYVFJYSZSA-N 1 1 325.412 0.883 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000819223188 587472863 /nfs/dbraw/zinc/47/28/63/587472863.db2.gz XSBUOPRTDIWSDX-UHFFFAOYSA-N 1 1 342.442 0.522 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cn1 ZINC000822550666 587665699 /nfs/dbraw/zinc/66/56/99/587665699.db2.gz HECLWANUPUWAQM-IAGOWNOFSA-N 1 1 341.415 0.465 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000823083342 587701271 /nfs/dbraw/zinc/70/12/71/587701271.db2.gz IPBOQXWXPJGEIC-ARFHVFGLSA-N 1 1 335.448 0.703 20 30 ECEDMO C#C[C@@H](NC(=O)N(C)CCC[NH+]1CCN(C)CC1)C1CCOCC1 ZINC000823172582 587707134 /nfs/dbraw/zinc/70/71/34/587707134.db2.gz HWAIGOZBTRIIPI-QGZVFWFLSA-N 1 1 336.480 0.694 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](C)n2cnc3c2ncnc3N)CC1 ZINC000825077629 587915692 /nfs/dbraw/zinc/91/56/92/587915692.db2.gz CQCCLNWLVODPKC-LBPRGKRZSA-N 1 1 327.392 0.137 20 30 ECEDMO CON=Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)cc1 ZINC000840499596 587975555 /nfs/dbraw/zinc/97/55/55/587975555.db2.gz GFHNWLIQSJXPMQ-OAHLLOKOSA-N 1 1 333.388 0.844 20 30 ECEDMO C#CCN(CC(=O)NC[C@]1(O)CC[N@H+](C)C1)C(=O)OC(C)(C)C ZINC000832206779 588474848 /nfs/dbraw/zinc/47/48/48/588474848.db2.gz HOCQVQRBXABJSW-MRXNPFEDSA-N 1 1 325.409 0.040 20 30 ECEDMO C=C[C@H](C)ONC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000844284862 589106149 /nfs/dbraw/zinc/10/61/49/589106149.db2.gz MCEFGRDBRMNICY-AWEZNQCLSA-N 1 1 334.424 0.794 20 30 ECEDMO CN1CCN(C(=O)CC[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844371926 589109325 /nfs/dbraw/zinc/10/93/25/589109325.db2.gz SMUHZXMPMZDTIL-KRWDZBQOSA-N 1 1 330.432 0.688 20 30 ECEDMO C[C@H](NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000845064230 589130386 /nfs/dbraw/zinc/13/03/86/589130386.db2.gz FXDODPOSORIITM-XKQJLSEDSA-N 1 1 346.431 0.952 20 30 ECEDMO C[C@H](NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000845064230 589130387 /nfs/dbraw/zinc/13/03/87/589130387.db2.gz FXDODPOSORIITM-XKQJLSEDSA-N 1 1 346.431 0.952 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(C)(C)NC(=O)COC(C)(C)C ZINC000846227682 589192154 /nfs/dbraw/zinc/19/21/54/589192154.db2.gz FQPXEWJXCYTIRY-UHFFFAOYSA-N 1 1 325.453 0.768 20 30 ECEDMO C[C@@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000846339177 589197189 /nfs/dbraw/zinc/19/71/89/589197189.db2.gz XRTFVLIBHINFEU-WMLDXEAASA-N 1 1 330.432 0.686 20 30 ECEDMO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000846727186 589220892 /nfs/dbraw/zinc/22/08/92/589220892.db2.gz PWTXTJRYSNVXET-MRXNPFEDSA-N 1 1 344.415 0.260 20 30 ECEDMO C#CCCN1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849518841 589339251 /nfs/dbraw/zinc/33/92/51/589339251.db2.gz PEFWZAPTIXUFCM-ZWKOTPCHSA-N 1 1 343.475 0.623 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000852751536 589510379 /nfs/dbraw/zinc/51/03/79/589510379.db2.gz HCSALZKBQVVXOG-UHFFFAOYSA-N 1 1 339.436 0.695 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000852751536 589510380 /nfs/dbraw/zinc/51/03/80/589510380.db2.gz HCSALZKBQVVXOG-UHFFFAOYSA-N 1 1 339.436 0.695 20 30 ECEDMO CN1CCN(c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cn2)CC1 ZINC000852882936 589521378 /nfs/dbraw/zinc/52/13/78/589521378.db2.gz SSSJXQIURYCRLX-UHFFFAOYSA-N 1 1 327.432 0.775 20 30 ECEDMO O=C(NCC[NH2+]Cc1cnn(-c2ccccc2)n1)C1N=CC=CC1=O ZINC000113361016 589633785 /nfs/dbraw/zinc/63/37/85/589633785.db2.gz YQWYVMOEBXAEFS-MSUUIHNZSA-N 1 1 338.371 0.883 20 30 ECEDMO C#CCC[NH+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000856725712 589671848 /nfs/dbraw/zinc/67/18/48/589671848.db2.gz OHSHIUYCXQJIKB-UHFFFAOYSA-N 1 1 346.391 0.367 20 30 ECEDMO C#CC[N@@H+](C)CCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000856761158 589674394 /nfs/dbraw/zinc/67/43/94/589674394.db2.gz UASSLMFPYFSGGV-UHFFFAOYSA-N 1 1 334.380 0.588 20 30 ECEDMO C#CC[C@H](COC)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000858283956 589737390 /nfs/dbraw/zinc/73/73/90/589737390.db2.gz VKJLBLRRTAHWBQ-CABCVRRESA-N 1 1 338.452 0.267 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC(c1nccn1C)c1nccn1C ZINC000858728479 589769277 /nfs/dbraw/zinc/76/92/77/589769277.db2.gz YWKYNDPLMOQYLO-UHFFFAOYSA-N 1 1 343.435 0.497 20 30 ECEDMO CN1CC[NH+](C2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)CC1 ZINC000867816940 589849121 /nfs/dbraw/zinc/84/91/21/589849121.db2.gz PULLCJPRMZMNMB-UHFFFAOYSA-N 1 1 340.493 0.722 20 30 ECEDMO CC(C)N1CC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1=O ZINC000867927833 589863715 /nfs/dbraw/zinc/86/37/15/589863715.db2.gz PMMZJGWEGBSEST-HZPDHXFCSA-N 1 1 326.400 0.871 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(S(N)(=O)=O)cc(F)c1C ZINC000861837954 589897673 /nfs/dbraw/zinc/89/76/73/589897673.db2.gz LYXIRRWOFCAHLS-UHFFFAOYSA-N 1 1 341.408 0.466 20 30 ECEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NCCn1cnc(C#N)n1 ZINC000868603409 589916442 /nfs/dbraw/zinc/91/64/42/589916442.db2.gz DYDJWLUFNRFVAC-CQSZACIVSA-N 1 1 325.376 0.636 20 30 ECEDMO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NCCn1cnc(C#N)n1 ZINC000868603409 589916445 /nfs/dbraw/zinc/91/64/45/589916445.db2.gz DYDJWLUFNRFVAC-CQSZACIVSA-N 1 1 325.376 0.636 20 30 ECEDMO C#CC[C@H](COC)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000863797782 590038919 /nfs/dbraw/zinc/03/89/19/590038919.db2.gz SVDGKCMTTAIOLC-GOSISDBHSA-N 1 1 329.444 0.959 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1OCCCO2 ZINC000873895776 590209489 /nfs/dbraw/zinc/20/94/89/590209489.db2.gz DHNSVHASZKKCDA-UHFFFAOYSA-N 1 1 345.399 0.858 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ncc1C#N ZINC000874173308 590224259 /nfs/dbraw/zinc/22/42/59/590224259.db2.gz FNIWQNJDYZMXFH-TZMCWYRMSA-N 1 1 327.388 0.753 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)ncc1C#N ZINC000874366345 590235020 /nfs/dbraw/zinc/23/50/20/590235020.db2.gz HKTGNKNWVLYFPD-KGLIPLIRSA-N 1 1 327.388 0.895 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000875716261 590324664 /nfs/dbraw/zinc/32/46/64/590324664.db2.gz UFSPOYIEQHGTPF-QGZVFWFLSA-N 1 1 345.443 0.956 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000875716261 590324665 /nfs/dbraw/zinc/32/46/65/590324665.db2.gz UFSPOYIEQHGTPF-QGZVFWFLSA-N 1 1 345.443 0.956 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000875915563 590345939 /nfs/dbraw/zinc/34/59/39/590345939.db2.gz ZISXSFJMUSGGDS-ZIAGYGMSSA-N 1 1 325.409 0.161 20 30 ECEDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143017 590371747 /nfs/dbraw/zinc/37/17/47/590371747.db2.gz XJXSKXHIXFAJDL-GJZGRUSLSA-N 1 1 334.445 0.895 20 30 ECEDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143017 590371749 /nfs/dbraw/zinc/37/17/49/590371749.db2.gz XJXSKXHIXFAJDL-GJZGRUSLSA-N 1 1 334.445 0.895 20 30 ECEDMO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCc3cccc(C#N)c3)C[C@@H]2C1 ZINC000880310177 590383195 /nfs/dbraw/zinc/38/31/95/590383195.db2.gz RGFKRWHYDTWHQC-CALCHBBNSA-N 1 1 326.400 0.585 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC=C[C@@H]2CO)CC1 ZINC000880488583 590396351 /nfs/dbraw/zinc/39/63/51/590396351.db2.gz HWPFQYZLXJVEQT-HUUCEWRRSA-N 1 1 346.456 0.690 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC=C[C@@H]2CO)CC1 ZINC000880488583 590396353 /nfs/dbraw/zinc/39/63/53/590396353.db2.gz HWPFQYZLXJVEQT-HUUCEWRRSA-N 1 1 346.456 0.690 20 30 ECEDMO CC1(C)CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCS1(=O)=O ZINC000876688189 590398437 /nfs/dbraw/zinc/39/84/37/590398437.db2.gz WJALOKLCOOCAJL-HNNXBMFYSA-N 1 1 347.440 0.781 20 30 ECEDMO Cn1nnnc1CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000877898506 590485641 /nfs/dbraw/zinc/48/56/41/590485641.db2.gz OUVICLWMYZQSJI-UHFFFAOYSA-N 1 1 325.420 0.832 20 30 ECEDMO Cn1nnnc1CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000877898506 590485643 /nfs/dbraw/zinc/48/56/43/590485643.db2.gz OUVICLWMYZQSJI-UHFFFAOYSA-N 1 1 325.420 0.832 20 30 ECEDMO Cn1nnnc1CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000877898506 590485645 /nfs/dbraw/zinc/48/56/45/590485645.db2.gz OUVICLWMYZQSJI-UHFFFAOYSA-N 1 1 325.420 0.832 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878314956 590515059 /nfs/dbraw/zinc/51/50/59/590515059.db2.gz BGNKAWRMRFXBHW-CQSZACIVSA-N 1 1 329.466 0.419 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000882221859 590528584 /nfs/dbraw/zinc/52/85/84/590528584.db2.gz BFMNEXOVOSNGGB-UHFFFAOYSA-N 1 1 335.473 0.908 20 30 ECEDMO C=C(C)CS(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000882617847 590564649 /nfs/dbraw/zinc/56/46/49/590564649.db2.gz VQMQSFYVKSILBN-UHFFFAOYSA-N 1 1 329.466 0.698 20 30 ECEDMO N#Cc1cnc(NC[C@]2(CO)COCC[NH2+]2)c(Br)c1 ZINC000882733030 590578163 /nfs/dbraw/zinc/57/81/63/590578163.db2.gz YBYQOFAXHHGFFD-LBPRGKRZSA-N 1 1 327.182 0.479 20 30 ECEDMO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000879335885 590580115 /nfs/dbraw/zinc/58/01/15/590580115.db2.gz XQHMJYZKSWYUPB-INIZCTEOSA-N 1 1 343.431 0.958 20 30 ECEDMO CNC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000879335885 590580117 /nfs/dbraw/zinc/58/01/17/590580117.db2.gz XQHMJYZKSWYUPB-INIZCTEOSA-N 1 1 343.431 0.958 20 30 ECEDMO C=C(C)C[C@@H](CO)NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000883459697 590619355 /nfs/dbraw/zinc/61/93/55/590619355.db2.gz FXYIGGWSGFGBJK-HOTGVXAUSA-N 1 1 326.485 0.886 20 30 ECEDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000883899717 590680740 /nfs/dbraw/zinc/68/07/40/590680740.db2.gz XFXREGFWDOHBTJ-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO C=CC[C@H](CO)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883911997 590683344 /nfs/dbraw/zinc/68/33/44/590683344.db2.gz DXXALMSSCLJZKR-JKSUJKDBSA-N 1 1 340.468 0.019 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885310532 590712397 /nfs/dbraw/zinc/71/23/97/590712397.db2.gz DEQPKCCSFGHTET-DOMZBBRYSA-N 1 1 336.417 0.403 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886174463 590800146 /nfs/dbraw/zinc/80/01/46/590800146.db2.gz AYTVVBCUFHZMKN-OWCLPIDISA-N 1 1 326.437 0.777 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC000886351925 590832916 /nfs/dbraw/zinc/83/29/16/590832916.db2.gz QOOOXXLHRNOBDW-ZDUSSCGKSA-N 1 1 325.409 0.040 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC000886351925 590832918 /nfs/dbraw/zinc/83/29/18/590832918.db2.gz QOOOXXLHRNOBDW-ZDUSSCGKSA-N 1 1 325.409 0.040 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CC1 ZINC000886568902 590859885 /nfs/dbraw/zinc/85/98/85/590859885.db2.gz ZSRVDBVMCICTAC-OWCLPIDISA-N 1 1 336.505 0.974 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](Nc2ccnc(C(=O)N3CCOCC3)c2)C1 ZINC000884610410 590871162 /nfs/dbraw/zinc/87/11/62/590871162.db2.gz LOJDMNKSIQXRPA-MRXNPFEDSA-N 1 1 328.416 0.485 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000889761789 591085978 /nfs/dbraw/zinc/08/59/78/591085978.db2.gz MGDQOHJJVQMFHL-ZACQAIPSSA-N 1 1 329.400 0.649 20 30 ECEDMO CC1(C)CC[N@@H+](CCNC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000890075082 591126705 /nfs/dbraw/zinc/12/67/05/591126705.db2.gz AGTKCVWBRFFTEB-NXVVXOECSA-N 1 1 334.420 0.751 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC([C@@H](F)C(=O)OCC)C2)C1 ZINC000890363710 591151913 /nfs/dbraw/zinc/15/19/13/591151913.db2.gz RSBTXUSRWULTSF-ZIAGYGMSSA-N 1 1 325.384 0.627 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC([C@@H](F)C(=O)OCC)C2)C1 ZINC000890363710 591151915 /nfs/dbraw/zinc/15/19/15/591151915.db2.gz RSBTXUSRWULTSF-ZIAGYGMSSA-N 1 1 325.384 0.627 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC([C@H](F)C(=O)OCC)C2)C1 ZINC000890363707 591152049 /nfs/dbraw/zinc/15/20/49/591152049.db2.gz RSBTXUSRWULTSF-KBPBESRZSA-N 1 1 325.384 0.627 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC([C@H](F)C(=O)OCC)C2)C1 ZINC000890363707 591152051 /nfs/dbraw/zinc/15/20/51/591152051.db2.gz RSBTXUSRWULTSF-KBPBESRZSA-N 1 1 325.384 0.627 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)N(CC)CC)CC2)C1 ZINC000890371324 591154395 /nfs/dbraw/zinc/15/43/95/591154395.db2.gz SDMUUTFLTLEKQV-MRXNPFEDSA-N 1 1 349.479 0.873 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)N(CC)CC)CC2)C1 ZINC000890371324 591154396 /nfs/dbraw/zinc/15/43/96/591154396.db2.gz SDMUUTFLTLEKQV-MRXNPFEDSA-N 1 1 349.479 0.873 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)CC[C@@H]2C1 ZINC000946625760 611371784 /nfs/dbraw/zinc/37/17/84/611371784.db2.gz DPSPNMQUPMZEET-IYBDPMFKSA-N 1 1 335.448 0.592 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C ZINC000948010873 611383581 /nfs/dbraw/zinc/38/35/81/611383581.db2.gz FFIQOVXRYHYPCH-RYUDHWBXSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C ZINC000948010873 611383588 /nfs/dbraw/zinc/38/35/88/611383588.db2.gz FFIQOVXRYHYPCH-RYUDHWBXSA-N 1 1 342.827 0.602 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCO[C@H]2c2n[nH]c(C)n2)CC1 ZINC000924178494 611391152 /nfs/dbraw/zinc/39/11/52/611391152.db2.gz JQJZELOCBHFIKY-UKRRQHHQSA-N 1 1 346.435 0.588 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1C ZINC000948071326 611408045 /nfs/dbraw/zinc/40/80/45/611408045.db2.gz WXTQUZBBBWNZCM-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948102605 611429008 /nfs/dbraw/zinc/42/90/08/611429008.db2.gz PNZUQWUOLZVVGB-LLVKDONJSA-N 1 1 333.392 0.617 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947174411 611449109 /nfs/dbraw/zinc/44/91/09/611449109.db2.gz KWTDJMIOYAWNJO-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2nn(C)cc2C(=O)OCC)C1 ZINC000930735148 611459075 /nfs/dbraw/zinc/45/90/75/611459075.db2.gz OCQQUVPVKVFEFR-LBPRGKRZSA-N 1 1 333.392 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2nn(C)cc2C(=O)OCC)C1 ZINC000930735148 611459076 /nfs/dbraw/zinc/45/90/76/611459076.db2.gz OCQQUVPVKVFEFR-LBPRGKRZSA-N 1 1 333.392 0.816 20 30 ECEDMO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000946770334 611465111 /nfs/dbraw/zinc/46/51/11/611465111.db2.gz LOWZTICVATZBQH-FVQBIDKESA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@H]([C@@H](O)c3ccncc3)C2=O)C1 ZINC000925316226 611467921 /nfs/dbraw/zinc/46/79/21/611467921.db2.gz IYITXVPFGATFOE-ZNMIVQPWSA-N 1 1 328.372 0.133 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@H]([C@@H](O)c3ccncc3)C2=O)C1 ZINC000925316226 611467924 /nfs/dbraw/zinc/46/79/24/611467924.db2.gz IYITXVPFGATFOE-ZNMIVQPWSA-N 1 1 328.372 0.133 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)cc1 ZINC000930824868 611469390 /nfs/dbraw/zinc/46/93/90/611469390.db2.gz GSJSIUTYILQDDM-HOCLYGCPSA-N 1 1 330.384 0.852 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000946793386 611481254 /nfs/dbraw/zinc/48/12/54/611481254.db2.gz AWGUDPREVDGZOB-IMJJTQAJSA-N 1 1 335.448 0.636 20 30 ECEDMO CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000946778569 611471317 /nfs/dbraw/zinc/47/13/17/611471317.db2.gz UBFKSMCRNUFKFB-BFHYXJOUSA-N 1 1 336.436 0.220 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000931092679 611505947 /nfs/dbraw/zinc/50/59/47/611505947.db2.gz GJGBBFCBEAPMFC-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000931092679 611505948 /nfs/dbraw/zinc/50/59/48/611505948.db2.gz GJGBBFCBEAPMFC-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO N#CCCC[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC000931125908 611509505 /nfs/dbraw/zinc/50/95/05/611509505.db2.gz CDBSXQZZLPEULY-UHFFFAOYSA-N 1 1 336.461 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ncc(C(=O)OCC)n2C)C1 ZINC000931346935 611532295 /nfs/dbraw/zinc/53/22/95/611532295.db2.gz UHANIPKBMNXWJR-GFCCVEGCSA-N 1 1 333.392 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ncc(C(=O)OCC)n2C)C1 ZINC000931346935 611532296 /nfs/dbraw/zinc/53/22/96/611532296.db2.gz UHANIPKBMNXWJR-GFCCVEGCSA-N 1 1 333.392 0.816 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cn(CCOC)nn2)CC1 ZINC000948358256 611545330 /nfs/dbraw/zinc/54/53/30/611545330.db2.gz XURSZNICVHQXED-OAHLLOKOSA-N 1 1 333.436 0.874 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3OCCNC(=O)[C@@H]32)cc1 ZINC000931561721 611550342 /nfs/dbraw/zinc/55/03/42/611550342.db2.gz FVCVUOPLZQGDOE-FUHWJXTLSA-N 1 1 341.411 0.976 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3OCCNC(=O)[C@@H]32)cc1 ZINC000931561721 611550343 /nfs/dbraw/zinc/55/03/43/611550343.db2.gz FVCVUOPLZQGDOE-FUHWJXTLSA-N 1 1 341.411 0.976 20 30 ECEDMO COC1(OC)CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1O ZINC000931641822 611560543 /nfs/dbraw/zinc/56/05/43/611560543.db2.gz JCNXGCNULYMJRP-IPYPFGDCSA-N 1 1 327.425 0.485 20 30 ECEDMO COC1(OC)CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1O ZINC000931641822 611560546 /nfs/dbraw/zinc/56/05/46/611560546.db2.gz JCNXGCNULYMJRP-IPYPFGDCSA-N 1 1 327.425 0.485 20 30 ECEDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000931719213 611566320 /nfs/dbraw/zinc/56/63/20/611566320.db2.gz NONKXJGGHHXZOW-LSDHHAIUSA-N 1 1 334.445 0.895 20 30 ECEDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000931719213 611566322 /nfs/dbraw/zinc/56/63/22/611566322.db2.gz NONKXJGGHHXZOW-LSDHHAIUSA-N 1 1 334.445 0.895 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)C[C@@H]1C ZINC000947556146 611593853 /nfs/dbraw/zinc/59/38/53/611593853.db2.gz OSGPWKBEJVYSKH-JSGCOSHPSA-N 1 1 326.404 0.969 20 30 ECEDMO C[N@@H+](CC(=O)NCCC#N)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000075131056 611596731 /nfs/dbraw/zinc/59/67/31/611596731.db2.gz ASGAKDUWPAQZBC-AWEZNQCLSA-N 1 1 346.435 0.873 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CCN1C1CC1 ZINC000927629443 611621292 /nfs/dbraw/zinc/62/12/92/611621292.db2.gz JOOBOOKQTPKTEE-IAGOWNOFSA-N 1 1 347.463 0.621 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ocnc1C ZINC000949252039 608598126 /nfs/dbraw/zinc/59/81/26/608598126.db2.gz SWOVQQBWHKRCJP-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ocnc1C ZINC000949252039 608598129 /nfs/dbraw/zinc/59/81/29/608598129.db2.gz SWOVQQBWHKRCJP-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947370926 608603141 /nfs/dbraw/zinc/60/31/41/608603141.db2.gz WODFVDIKUVCZFP-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)OC)CC2)C1 ZINC000949317469 608631319 /nfs/dbraw/zinc/63/13/19/608631319.db2.gz NQNCWGLCIGJDMM-LSDHHAIUSA-N 1 1 334.416 0.512 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)OC)CC2)C1 ZINC000949317469 608631321 /nfs/dbraw/zinc/63/13/21/608631321.db2.gz NQNCWGLCIGJDMM-LSDHHAIUSA-N 1 1 334.416 0.512 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949369811 608656911 /nfs/dbraw/zinc/65/69/11/608656911.db2.gz FLMQLFFJAZVGQG-CVEARBPZSA-N 1 1 338.448 0.653 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC000949427153 608675112 /nfs/dbraw/zinc/67/51/12/608675112.db2.gz HIPJYRPJSNEVOO-KRWDZBQOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1cnco1 ZINC000937439891 608770471 /nfs/dbraw/zinc/77/04/71/608770471.db2.gz FUBMQUUHYNEWIE-GJZGRUSLSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1cnco1 ZINC000937439891 608770476 /nfs/dbraw/zinc/77/04/76/608770476.db2.gz FUBMQUUHYNEWIE-GJZGRUSLSA-N 1 1 344.415 0.883 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@@H]1C ZINC000947795482 608771567 /nfs/dbraw/zinc/77/15/67/608771567.db2.gz DWIOZJBKCSEKIF-GJZGRUSLSA-N 1 1 348.451 0.724 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1C ZINC000947512086 608845909 /nfs/dbraw/zinc/84/59/09/608845909.db2.gz TYOZVCDLYFCWPB-RYUDHWBXSA-N 1 1 340.811 0.671 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1C ZINC000947512086 608845913 /nfs/dbraw/zinc/84/59/13/608845913.db2.gz TYOZVCDLYFCWPB-RYUDHWBXSA-N 1 1 340.811 0.671 20 30 ECEDMO CC(=O)NCC(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000154107297 608863150 /nfs/dbraw/zinc/86/31/50/608863150.db2.gz YVWGPLINCHFKBW-UHFFFAOYSA-N 1 1 344.411 0.940 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC000936911799 608885995 /nfs/dbraw/zinc/88/59/95/608885995.db2.gz MWZASQVCVSCIEN-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)C(F)F)CC1 ZINC000948614886 611669247 /nfs/dbraw/zinc/66/92/47/611669247.db2.gz MJBYENAKILREFX-ZDUSSCGKSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)C(F)F)CC1 ZINC000948614886 611669250 /nfs/dbraw/zinc/66/92/50/611669250.db2.gz MJBYENAKILREFX-ZDUSSCGKSA-N 1 1 327.375 0.704 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CON=C(N)C2CCCC2)C1 ZINC000178139262 608948692 /nfs/dbraw/zinc/94/86/92/608948692.db2.gz PARINWXUGWXWNV-HNNXBMFYSA-N 1 1 340.468 0.938 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CCn1cncn1 ZINC000947217929 608969338 /nfs/dbraw/zinc/96/93/38/608969338.db2.gz UCSBZJJMOADUMV-OLZOCXBDSA-N 1 1 327.392 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC000937685910 609009118 /nfs/dbraw/zinc/00/91/18/609009118.db2.gz JIVFFUDGMLKHAJ-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC000937685910 609009120 /nfs/dbraw/zinc/00/91/20/609009120.db2.gz JIVFFUDGMLKHAJ-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cncs2)C1 ZINC000937723052 609044385 /nfs/dbraw/zinc/04/43/85/609044385.db2.gz LHMXKHLZWMTFMC-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cncs2)C1 ZINC000937723052 609044389 /nfs/dbraw/zinc/04/43/89/609044389.db2.gz LHMXKHLZWMTFMC-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000936823028 609123841 /nfs/dbraw/zinc/12/38/41/609123841.db2.gz DAXCVHKVQCUVCR-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000936823028 609123844 /nfs/dbraw/zinc/12/38/44/609123844.db2.gz DAXCVHKVQCUVCR-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)[C@@H](C)C2)nn1 ZINC000947791256 611692246 /nfs/dbraw/zinc/69/22/46/611692246.db2.gz AFMNVKZTHDXQCW-LSDHHAIUSA-N 1 1 343.435 0.944 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cncn3C)[C@H](C)C2)nn1 ZINC000947792085 611692319 /nfs/dbraw/zinc/69/23/19/611692319.db2.gz IEZIYZGZDNZFOV-ZIAGYGMSSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC000937928063 609402371 /nfs/dbraw/zinc/40/23/71/609402371.db2.gz WXOQULBXURYOQV-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC000937928063 609402373 /nfs/dbraw/zinc/40/23/73/609402373.db2.gz WXOQULBXURYOQV-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nccn2CC)C1 ZINC000938170356 609481826 /nfs/dbraw/zinc/48/18/26/609481826.db2.gz GNEPATDUQAYARY-GJZGRUSLSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nccn2CC)C1 ZINC000938170356 609481828 /nfs/dbraw/zinc/48/18/28/609481828.db2.gz GNEPATDUQAYARY-GJZGRUSLSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000938171760 609484564 /nfs/dbraw/zinc/48/45/64/609484564.db2.gz KGFQZJFLPSYWOY-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000938171760 609484567 /nfs/dbraw/zinc/48/45/67/609484567.db2.gz KGFQZJFLPSYWOY-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC000938172349 609485137 /nfs/dbraw/zinc/48/51/37/609485137.db2.gz VNFQWIWDUJXYPI-XHSDSOJGSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC000938172349 609485139 /nfs/dbraw/zinc/48/51/39/609485139.db2.gz VNFQWIWDUJXYPI-XHSDSOJGSA-N 1 1 333.432 0.370 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000938224287 609552746 /nfs/dbraw/zinc/55/27/46/609552746.db2.gz SDODQQHWXJUCDF-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000920017281 609670675 /nfs/dbraw/zinc/67/06/75/609670675.db2.gz ATUCGUBUTMOBGS-XJKSGUPXSA-N 1 1 336.461 0.612 20 30 ECEDMO C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000920017281 609670677 /nfs/dbraw/zinc/67/06/77/609670677.db2.gz ATUCGUBUTMOBGS-XJKSGUPXSA-N 1 1 336.461 0.612 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000910285858 609714222 /nfs/dbraw/zinc/71/42/22/609714222.db2.gz VNWQRYGZGXALRU-CMTMBAJVSA-N 1 1 334.420 0.846 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000938318064 609731525 /nfs/dbraw/zinc/73/15/25/609731525.db2.gz APLJWWUMHGUACP-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC000938375933 609760935 /nfs/dbraw/zinc/76/09/35/609760935.db2.gz WYCOGKCTPCTAOF-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC000948012045 609761853 /nfs/dbraw/zinc/76/18/53/609761853.db2.gz MBRPTDHHSKDZKL-MNOVXSKESA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC000948012045 609761855 /nfs/dbraw/zinc/76/18/55/609761855.db2.gz MBRPTDHHSKDZKL-MNOVXSKESA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000938291858 609762985 /nfs/dbraw/zinc/76/29/85/609762985.db2.gz XKJFXHNBIJYVBC-ZOBUZTSGSA-N 1 1 346.431 0.890 20 30 ECEDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000910885236 609773299 /nfs/dbraw/zinc/77/32/99/609773299.db2.gz JBIFXUKCDMFWBZ-INIZCTEOSA-N 1 1 349.479 0.233 20 30 ECEDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000910885236 609773301 /nfs/dbraw/zinc/77/33/01/609773301.db2.gz JBIFXUKCDMFWBZ-INIZCTEOSA-N 1 1 349.479 0.233 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000914175856 609861753 /nfs/dbraw/zinc/86/17/53/609861753.db2.gz ONUXGOLHKGJNGL-GJZGRUSLSA-N 1 1 325.457 0.582 20 30 ECEDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000914407310 609885372 /nfs/dbraw/zinc/88/53/72/609885372.db2.gz HJHYYDFWWGYJQD-GFCCVEGCSA-N 1 1 329.447 0.760 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000914407310 609885373 /nfs/dbraw/zinc/88/53/73/609885373.db2.gz HJHYYDFWWGYJQD-GFCCVEGCSA-N 1 1 329.447 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1C ZINC000947851210 611718310 /nfs/dbraw/zinc/71/83/10/611718310.db2.gz SXDSJULJMNQJEU-UPJWGTAASA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1C ZINC000947851210 611718313 /nfs/dbraw/zinc/71/83/13/611718313.db2.gz SXDSJULJMNQJEU-UPJWGTAASA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000938673194 609930455 /nfs/dbraw/zinc/93/04/55/609930455.db2.gz BLSIRZZDTSXXBO-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000938673194 609930457 /nfs/dbraw/zinc/93/04/57/609930457.db2.gz BLSIRZZDTSXXBO-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000916362503 609937875 /nfs/dbraw/zinc/93/78/75/609937875.db2.gz SLZNBTNJSSLQMW-GUTXKFCHSA-N 1 1 342.465 0.296 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2csnn2)C1 ZINC000938754726 609973117 /nfs/dbraw/zinc/97/31/17/609973117.db2.gz NEPYQYADSLRDNU-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2csnn2)C1 ZINC000938754726 609973118 /nfs/dbraw/zinc/97/31/18/609973118.db2.gz NEPYQYADSLRDNU-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC000938756289 609982026 /nfs/dbraw/zinc/98/20/26/609982026.db2.gz MBCNHWWODAPXJC-CVEARBPZSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC000938756289 609982027 /nfs/dbraw/zinc/98/20/27/609982027.db2.gz MBCNHWWODAPXJC-CVEARBPZSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC000938756392 609982048 /nfs/dbraw/zinc/98/20/48/609982048.db2.gz OMDABIJNAMYKDS-GJZGRUSLSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC000938756392 609982049 /nfs/dbraw/zinc/98/20/49/609982049.db2.gz OMDABIJNAMYKDS-GJZGRUSLSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000918395004 610005788 /nfs/dbraw/zinc/00/57/88/610005788.db2.gz KKXJNRVRJRZIMS-AWEZNQCLSA-N 1 1 335.429 0.422 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000938823645 610025931 /nfs/dbraw/zinc/02/59/31/610025931.db2.gz PSWCQRRHEWRDSU-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO N#C[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000919070854 610030255 /nfs/dbraw/zinc/03/02/55/610030255.db2.gz JEDFOBQVOGMMEL-CVEARBPZSA-N 1 1 335.452 0.338 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000939011922 610068088 /nfs/dbraw/zinc/06/80/88/610068088.db2.gz CZGIHWIXJMCMKJ-BBWFWOEESA-N 1 1 346.475 0.238 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3ncccn3)[C@@H](C)C2)nn1 ZINC000939277075 610146355 /nfs/dbraw/zinc/14/63/55/610146355.db2.gz KJMLFQOOKVEFPU-STQMWFEESA-N 1 1 327.392 0.504 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000939866268 610153240 /nfs/dbraw/zinc/15/32/40/610153240.db2.gz HUUDKJNGQPUPDW-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000939866268 610153242 /nfs/dbraw/zinc/15/32/42/610153242.db2.gz HUUDKJNGQPUPDW-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CCC(O)CC2)C1 ZINC000940212873 610238245 /nfs/dbraw/zinc/23/82/45/610238245.db2.gz QAXDYVQNITUXMW-MYBQVCMBSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CCC(O)CC2)C1 ZINC000940212873 610238247 /nfs/dbraw/zinc/23/82/47/610238247.db2.gz QAXDYVQNITUXMW-MYBQVCMBSA-N 1 1 347.459 0.352 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(CC)nn3)C2)cn1 ZINC000939568398 610239974 /nfs/dbraw/zinc/23/99/74/610239974.db2.gz SOJXEZMPZMLJIT-CXAGYDPISA-N 1 1 338.415 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC000939622272 610250465 /nfs/dbraw/zinc/25/04/65/610250465.db2.gz GQNYBJCTDOHLIW-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC000939622272 610250466 /nfs/dbraw/zinc/25/04/66/610250466.db2.gz GQNYBJCTDOHLIW-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)CC2)C1 ZINC000941427932 610301724 /nfs/dbraw/zinc/30/17/24/610301724.db2.gz KSWOSSIRPFXTHI-INIZCTEOSA-N 1 1 348.491 0.505 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc4n3CCOC4)CC2)C1 ZINC000941444017 610308996 /nfs/dbraw/zinc/30/89/96/610308996.db2.gz AICGMUKEMKFFDV-UHFFFAOYSA-N 1 1 331.420 0.041 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc4n[nH]nc4n3)CC2)C1 ZINC000941432802 610313104 /nfs/dbraw/zinc/31/31/04/610313104.db2.gz HFCYSUFSBYVTNX-UHFFFAOYSA-N 1 1 341.419 0.371 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@H]3C(C)C)CC2)C1 ZINC000941433418 610313452 /nfs/dbraw/zinc/31/34/52/610313452.db2.gz VAWDYNZAZTVYMX-MSOLQXFVSA-N 1 1 333.476 0.899 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941436941 610314645 /nfs/dbraw/zinc/31/46/45/610314645.db2.gz LXBZHQJXZVODIZ-QGZVFWFLSA-N 1 1 332.492 0.711 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn4ccncc34)CC2)C1 ZINC000941438391 610315720 /nfs/dbraw/zinc/31/57/20/610315720.db2.gz UVPFUJPHIKNHEN-UHFFFAOYSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456805 610319163 /nfs/dbraw/zinc/31/91/63/610319163.db2.gz TZNIMLYLQYXSMY-MJGOQNOKSA-N 1 1 344.503 0.855 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)C1 ZINC000941463273 610321630 /nfs/dbraw/zinc/32/16/30/610321630.db2.gz PHHLLGVRAVWOOI-UHFFFAOYSA-N 1 1 342.443 0.804 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCn4nccc43)CC2)C1 ZINC000941463352 610321763 /nfs/dbraw/zinc/32/17/63/610321763.db2.gz SHCKXLGIPJZXIA-KRWDZBQOSA-N 1 1 341.459 0.612 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC000941447175 610322647 /nfs/dbraw/zinc/32/26/47/610322647.db2.gz PWERUGAENRSVBK-OAHLLOKOSA-N 1 1 334.464 0.259 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940687890 610330831 /nfs/dbraw/zinc/33/08/31/610330831.db2.gz WIGHAEHNVPLNHF-HNNXBMFYSA-N 1 1 343.431 0.995 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940687890 610330833 /nfs/dbraw/zinc/33/08/33/610330833.db2.gz WIGHAEHNVPLNHF-HNNXBMFYSA-N 1 1 343.431 0.995 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940689901 610331824 /nfs/dbraw/zinc/33/18/24/610331824.db2.gz SGTOIPCEIIGHIV-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000940691403 610331937 /nfs/dbraw/zinc/33/19/37/610331937.db2.gz RUSGHECGOVHCHC-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000940691403 610331938 /nfs/dbraw/zinc/33/19/38/610331938.db2.gz RUSGHECGOVHCHC-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCNC2=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940692652 610332615 /nfs/dbraw/zinc/33/26/15/610332615.db2.gz CRRJSXDRTQNQOB-KBPBESRZSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000940692194 610332643 /nfs/dbraw/zinc/33/26/43/610332643.db2.gz XOYFTCSQXZANPA-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000940761741 610353716 /nfs/dbraw/zinc/35/37/16/610353716.db2.gz ZJAQALOJAABXJF-VQHPVUNQSA-N 1 1 346.475 0.141 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1 ZINC000942258945 610363729 /nfs/dbraw/zinc/36/37/29/610363729.db2.gz QYHYCAFCPACRJL-NEPJUHHUSA-N 1 1 339.417 0.391 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000941559649 610382095 /nfs/dbraw/zinc/38/20/95/610382095.db2.gz HWAJGHUKIPPPKQ-INIZCTEOSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000941592298 610388428 /nfs/dbraw/zinc/38/84/28/610388428.db2.gz GMNJELJRJUROTQ-CVEARBPZSA-N 1 1 348.491 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2conc2C)C1 ZINC000942315677 610393896 /nfs/dbraw/zinc/39/38/96/610393896.db2.gz ZSLROFAHPNUTHR-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2conc2C)C1 ZINC000942315677 610393898 /nfs/dbraw/zinc/39/38/98/610393898.db2.gz ZSLROFAHPNUTHR-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940846653 610398036 /nfs/dbraw/zinc/39/80/36/610398036.db2.gz FBTXTJVPTCGEIX-QWHCGFSZSA-N 1 1 333.436 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)nc1 ZINC000941598950 610399760 /nfs/dbraw/zinc/39/97/60/610399760.db2.gz MEBLUBDRXDZVLW-OAHLLOKOSA-N 1 1 337.383 0.599 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(CC)nn3C)CC2)C1 ZINC000941617282 610412683 /nfs/dbraw/zinc/41/26/83/610412683.db2.gz ALMLXNDUGYINNA-UHFFFAOYSA-N 1 1 329.448 0.448 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000941598336 610415237 /nfs/dbraw/zinc/41/52/37/610415237.db2.gz WMGMMJMKYXTPNQ-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC000941626648 610415696 /nfs/dbraw/zinc/41/56/96/610415696.db2.gz PSIZXTDVTIMBSE-UHFFFAOYSA-N 1 1 331.420 0.503 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3nnnn3c2)C(C)(C)C1 ZINC000940887827 610416443 /nfs/dbraw/zinc/41/64/43/610416443.db2.gz FGEXHXFWWRYJFH-CQSZACIVSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3cccn3)CC2)C1 ZINC000941634909 610420442 /nfs/dbraw/zinc/42/04/42/610420442.db2.gz MWFIKNGJSZAQPW-MRXNPFEDSA-N 1 1 329.448 0.686 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3c(OC)cc[nH]c3=O)CC2)C1 ZINC000941640886 610422387 /nfs/dbraw/zinc/42/23/87/610422387.db2.gz IDZLNURKQRRPTB-UHFFFAOYSA-N 1 1 346.431 0.814 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Oc3ccccn3)CC2)C1 ZINC000941641167 610435349 /nfs/dbraw/zinc/43/53/49/610435349.db2.gz WZEDCVMVQQOACZ-OAHLLOKOSA-N 1 1 330.432 0.863 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000940917883 610440290 /nfs/dbraw/zinc/44/02/90/610440290.db2.gz DQVXIGUZKRZHRM-ZIAGYGMSSA-N 1 1 343.418 0.802 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000942429997 610445400 /nfs/dbraw/zinc/44/54/00/610445400.db2.gz OOVQXKKULXQSNA-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000941674176 610447018 /nfs/dbraw/zinc/44/70/18/610447018.db2.gz ZBTWVZBPERJGMZ-BBWFWOEESA-N 1 1 346.475 0.143 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000942435030 610460534 /nfs/dbraw/zinc/46/05/34/610460534.db2.gz PZKCMDKKUPPGEE-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000942451297 610466396 /nfs/dbraw/zinc/46/63/96/610466396.db2.gz BYRBGZISGDMKGY-WCVJEAGWSA-N 1 1 335.448 0.779 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000941002611 610479939 /nfs/dbraw/zinc/47/99/39/610479939.db2.gz XCUKZCXXPVHBTP-HUUCEWRRSA-N 1 1 326.400 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000942489233 610485180 /nfs/dbraw/zinc/48/51/80/610485180.db2.gz PHARXTYGDOSMNV-MTSZKFMLSA-N 1 1 345.443 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000942489233 610485182 /nfs/dbraw/zinc/48/51/82/610485182.db2.gz PHARXTYGDOSMNV-MTSZKFMLSA-N 1 1 345.443 0.369 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(C)(C)C1 ZINC000941029329 610505793 /nfs/dbraw/zinc/50/57/93/610505793.db2.gz TTYAYWAWTDZBTO-YNEHKIRRSA-N 1 1 343.855 0.989 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(C)(C)C1 ZINC000941029329 610505795 /nfs/dbraw/zinc/50/57/95/610505795.db2.gz TTYAYWAWTDZBTO-YNEHKIRRSA-N 1 1 343.855 0.989 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000941771730 610497403 /nfs/dbraw/zinc/49/74/03/610497403.db2.gz XNOBYBVYXAWXHT-XYSPPFBYSA-N 1 1 346.431 0.070 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000941771728 610497423 /nfs/dbraw/zinc/49/74/23/610497423.db2.gz XNOBYBVYXAWXHT-CQDIZWNASA-N 1 1 346.431 0.070 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](C)C1 ZINC000942548633 610508714 /nfs/dbraw/zinc/50/87/14/610508714.db2.gz WJINQLYHZDEXAA-WCQYABFASA-N 1 1 344.423 0.710 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](C)C1 ZINC000942551306 610509885 /nfs/dbraw/zinc/50/98/85/610509885.db2.gz RBZOCBXQKRWUIO-SWLSCSKDSA-N 1 1 330.432 0.861 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)CC2(C)C)nn1 ZINC000941085183 610528967 /nfs/dbraw/zinc/52/89/67/610528967.db2.gz LQHBGJUQAUUFTH-UONOGXRCSA-N 1 1 346.435 0.183 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941090231 610531411 /nfs/dbraw/zinc/53/14/11/610531411.db2.gz AKLDWVRWEQNUOV-KBPBESRZSA-N 1 1 341.477 0.260 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2C)c1 ZINC000942618757 610537706 /nfs/dbraw/zinc/53/77/06/610537706.db2.gz WNOPSTJKGADSMS-PBHICJAKSA-N 1 1 338.415 0.795 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000941882125 610540687 /nfs/dbraw/zinc/54/06/87/610540687.db2.gz QXHODOZTABPAQG-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000941879671 610550178 /nfs/dbraw/zinc/55/01/78/610550178.db2.gz LUVXCLHAJOWHDU-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H]1C[N@H+](CCS(C)(=O)=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931362 610568454 /nfs/dbraw/zinc/56/84/54/610568454.db2.gz YMAQFPXYNDIJDS-AAEUAGOBSA-N 1 1 338.433 0.371 20 30 ECEDMO C[C@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931362 610568456 /nfs/dbraw/zinc/56/84/56/610568456.db2.gz YMAQFPXYNDIJDS-AAEUAGOBSA-N 1 1 338.433 0.371 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccnc3nc(C)nn32)C(C)(C)C1 ZINC000941161675 610569620 /nfs/dbraw/zinc/56/96/20/610569620.db2.gz RJJOBVJGZUUNHD-CQSZACIVSA-N 1 1 326.404 0.896 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000941964931 610587081 /nfs/dbraw/zinc/58/70/81/610587081.db2.gz MGKLPVKPNPSCKY-SJORKVTESA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000941964931 610587083 /nfs/dbraw/zinc/58/70/83/610587083.db2.gz MGKLPVKPNPSCKY-SJORKVTESA-N 1 1 341.411 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000941237754 610621785 /nfs/dbraw/zinc/62/17/85/610621785.db2.gz IYKNNKHPOHUWQX-PWHGLLLSSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000941237754 610621787 /nfs/dbraw/zinc/62/17/87/610621787.db2.gz IYKNNKHPOHUWQX-PWHGLLLSSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC000941238104 610622278 /nfs/dbraw/zinc/62/22/78/610622278.db2.gz UNGIGNVGLJUUBF-SJORKVTESA-N 1 1 340.427 0.439 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC000941238104 610622280 /nfs/dbraw/zinc/62/22/80/610622280.db2.gz UNGIGNVGLJUUBF-SJORKVTESA-N 1 1 340.427 0.439 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cn3cccc(C)c3=O)CC2)C1 ZINC000941408497 610722596 /nfs/dbraw/zinc/72/25/96/610722596.db2.gz IURPDGSXRRWKAG-UHFFFAOYSA-N 1 1 342.443 0.008 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC000941410226 610723401 /nfs/dbraw/zinc/72/34/01/610723401.db2.gz CLQGSCHRRKZMOR-GDBMZVCRSA-N 1 1 334.464 0.306 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccnc3nc(C)nn32)[C@H](C)C1 ZINC000944156348 610770514 /nfs/dbraw/zinc/77/05/14/610770514.db2.gz UPIYAOWLKUGVIU-TZMCWYRMSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccnc3nc(C)nn32)[C@@H](C)C1 ZINC000944156345 610770539 /nfs/dbraw/zinc/77/05/39/610770539.db2.gz UPIYAOWLKUGVIU-GXTWGEPZSA-N 1 1 326.404 0.896 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943289658 610782074 /nfs/dbraw/zinc/78/20/74/610782074.db2.gz NERJERWZPHZFNK-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943289658 610782077 /nfs/dbraw/zinc/78/20/77/610782077.db2.gz NERJERWZPHZFNK-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC000944968346 610861037 /nfs/dbraw/zinc/86/10/37/610861037.db2.gz HRPYJJLRYCCLQC-RBSFLKMASA-N 1 1 348.447 0.316 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC000944968346 610861039 /nfs/dbraw/zinc/86/10/39/610861039.db2.gz HRPYJJLRYCCLQC-RBSFLKMASA-N 1 1 348.447 0.316 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)[C@H](C)C1 ZINC000943499232 610884793 /nfs/dbraw/zinc/88/47/93/610884793.db2.gz SBCOOVWBIJNJMP-ZJUUUORDSA-N 1 1 329.326 0.907 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](C)C1 ZINC000943546134 610894267 /nfs/dbraw/zinc/89/42/67/610894267.db2.gz ARGSZYRRUKEYRD-JOYOIKCWSA-N 1 1 327.812 0.618 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](C)C1 ZINC000943546134 610894270 /nfs/dbraw/zinc/89/42/70/610894270.db2.gz ARGSZYRRUKEYRD-JOYOIKCWSA-N 1 1 327.812 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H](C)C1 ZINC000943761620 610978600 /nfs/dbraw/zinc/97/86/00/610978600.db2.gz PTIWELRBUWTATQ-BBRMVZONSA-N 1 1 330.432 0.710 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000948560652 611032383 /nfs/dbraw/zinc/03/23/83/611032383.db2.gz DIHWSNOWAQNOCD-MRXNPFEDSA-N 1 1 334.464 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC2CCC2)CCO1 ZINC000944648712 611057584 /nfs/dbraw/zinc/05/75/84/611057584.db2.gz WRUZYFPQBCPOGN-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC2CCC2)CCO1 ZINC000944648712 611057587 /nfs/dbraw/zinc/05/75/87/611057587.db2.gz WRUZYFPQBCPOGN-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCCCO1 ZINC000943962116 611058693 /nfs/dbraw/zinc/05/86/93/611058693.db2.gz GQOIUWFYQCTUQM-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCCCO1 ZINC000943962116 611058694 /nfs/dbraw/zinc/05/86/94/611058694.db2.gz GQOIUWFYQCTUQM-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)O1 ZINC000944009544 611079832 /nfs/dbraw/zinc/07/98/32/611079832.db2.gz FOKWSEHCJDOKDL-FVQBIDKESA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)O1 ZINC000944009544 611079833 /nfs/dbraw/zinc/07/98/33/611079833.db2.gz FOKWSEHCJDOKDL-FVQBIDKESA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)CC[C@@H]2C1 ZINC000946819275 611171827 /nfs/dbraw/zinc/17/18/27/611171827.db2.gz YSOIZKJKTZDPOJ-OKILXGFUSA-N 1 1 339.399 0.852 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)CC[C@@H]2C1 ZINC000946878697 611217892 /nfs/dbraw/zinc/21/78/92/611217892.db2.gz XLKLLDYIXFKSMP-KSZLIROESA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)CC[C@@H]2C1 ZINC000946890465 611230514 /nfs/dbraw/zinc/23/05/14/611230514.db2.gz YUEYHZZMIJFZQZ-OKILXGFUSA-N 1 1 346.431 0.846 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC[C@@H]2C1 ZINC000946915652 611257941 /nfs/dbraw/zinc/25/79/41/611257941.db2.gz PRIWMKSYWVEDSJ-ZNMIVQPWSA-N 1 1 333.432 0.786 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3nnnc3C)cc2F)C1 ZINC000923558195 611262734 /nfs/dbraw/zinc/26/27/34/611262734.db2.gz XPDBQJUZQUNLTD-ZDUSSCGKSA-N 1 1 342.378 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3nnnc3C)cc2F)C1 ZINC000923558195 611262735 /nfs/dbraw/zinc/26/27/35/611262735.db2.gz XPDBQJUZQUNLTD-ZDUSSCGKSA-N 1 1 342.378 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2csc(N3CCOCC3)n2)C1 ZINC000923562070 611262989 /nfs/dbraw/zinc/26/29/89/611262989.db2.gz RHWQNFDQQUZGOQ-AWEZNQCLSA-N 1 1 348.472 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2csc(N3CCOCC3)n2)C1 ZINC000923562070 611262990 /nfs/dbraw/zinc/26/29/90/611262990.db2.gz RHWQNFDQQUZGOQ-AWEZNQCLSA-N 1 1 348.472 0.736 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(S(N)(=O)=O)c2C)C1 ZINC000923566380 611264209 /nfs/dbraw/zinc/26/42/09/611264209.db2.gz MWFRORFYAFFFJJ-CYBMUJFWSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(S(N)(=O)=O)c2C)C1 ZINC000923566380 611264211 /nfs/dbraw/zinc/26/42/11/611264211.db2.gz MWFRORFYAFFFJJ-CYBMUJFWSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000923590014 611270337 /nfs/dbraw/zinc/27/03/37/611270337.db2.gz WMLKCIRCXVXUSL-AWEZNQCLSA-N 1 1 339.399 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000923590014 611270339 /nfs/dbraw/zinc/27/03/39/611270339.db2.gz WMLKCIRCXVXUSL-AWEZNQCLSA-N 1 1 339.399 0.395 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C1 ZINC000923589210 611270386 /nfs/dbraw/zinc/27/03/86/611270386.db2.gz ONEUQJKESRVSMH-GFCCVEGCSA-N 1 1 327.388 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)C1 ZINC000923589210 611270388 /nfs/dbraw/zinc/27/03/88/611270388.db2.gz ONEUQJKESRVSMH-GFCCVEGCSA-N 1 1 327.388 0.810 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(OCC(N)=O)c(OC)c2)C1 ZINC000923592582 611271372 /nfs/dbraw/zinc/27/13/72/611271372.db2.gz YSHCKWXABJJIEN-CQSZACIVSA-N 1 1 345.399 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OCC(N)=O)c(OC)c2)C1 ZINC000923592582 611271374 /nfs/dbraw/zinc/27/13/74/611271374.db2.gz YSHCKWXABJJIEN-CQSZACIVSA-N 1 1 345.399 0.387 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000923593259 611272012 /nfs/dbraw/zinc/27/20/12/611272012.db2.gz MRFVVTDWGBIHBF-HNNXBMFYSA-N 1 1 335.429 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000923593259 611272014 /nfs/dbraw/zinc/27/20/14/611272014.db2.gz MRFVVTDWGBIHBF-HNNXBMFYSA-N 1 1 335.429 0.886 20 30 ECEDMO COc1nccc(C=NNC(=S)NCCC[NH+]2CCOCC2)n1 ZINC000834925203 611305589 /nfs/dbraw/zinc/30/55/89/611305589.db2.gz KLFUVGNIWNZGOR-UHFFFAOYSA-N 1 1 338.437 0.006 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630970 611736549 /nfs/dbraw/zinc/73/65/49/611736549.db2.gz WXZSMAWJPBVFTM-ROUUACIJSA-N 1 1 333.432 0.871 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000933724000 611744705 /nfs/dbraw/zinc/74/47/05/611744705.db2.gz UUNDNXJSOMPUOI-OKILXGFUSA-N 1 1 333.413 0.863 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000947964159 611757056 /nfs/dbraw/zinc/75/70/56/611757056.db2.gz BKXWEWPHZZDVFV-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929822401 611797381 /nfs/dbraw/zinc/79/73/81/611797381.db2.gz ALQONDRRIKPRAB-ORIJERBGSA-N 1 1 329.404 0.663 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929822401 611797383 /nfs/dbraw/zinc/79/73/83/611797383.db2.gz ALQONDRRIKPRAB-ORIJERBGSA-N 1 1 329.404 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000950645188 611814398 /nfs/dbraw/zinc/81/43/98/611814398.db2.gz MCOTXPVBEYSENX-WQVCFCJDSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000950645188 611814402 /nfs/dbraw/zinc/81/44/02/611814402.db2.gz MCOTXPVBEYSENX-WQVCFCJDSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC000950648136 611816232 /nfs/dbraw/zinc/81/62/32/611816232.db2.gz BVHYQQOJJGBGDH-FMKPAKJESA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC000950648136 611816233 /nfs/dbraw/zinc/81/62/33/611816233.db2.gz BVHYQQOJJGBGDH-FMKPAKJESA-N 1 1 343.431 0.094 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCOC2(CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC000949052085 611829338 /nfs/dbraw/zinc/82/93/38/611829338.db2.gz WPLDCLBNQNLQJM-ZDUSSCGKSA-N 1 1 334.420 0.118 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccnc(F)c1 ZINC000949057761 611833149 /nfs/dbraw/zinc/83/31/49/611833149.db2.gz LEWWSMYBYKNHAH-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccnc(F)c1 ZINC000949057761 611833150 /nfs/dbraw/zinc/83/31/50/611833150.db2.gz LEWWSMYBYKNHAH-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO CC#CC[NH+]1CCC2(CC1)CN(C(=O)CCc1nc[nH]n1)CCO2 ZINC000949064702 611838038 /nfs/dbraw/zinc/83/80/38/611838038.db2.gz VTDBCAIAWNGWTQ-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO C#CC[NH+]1CCC2(CC1)CN(C(=O)c1cccc3nn[nH]c31)CCO2 ZINC000949104339 611855701 /nfs/dbraw/zinc/85/57/01/611855701.db2.gz FTAVDPTUTUAZOE-UHFFFAOYSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)c2ccon2)CC1 ZINC000949105059 611855869 /nfs/dbraw/zinc/85/58/69/611855869.db2.gz HSXKZGNQRKSOKD-INIZCTEOSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)c2ccon2)CC1 ZINC000949105059 611855870 /nfs/dbraw/zinc/85/58/70/611855870.db2.gz HSXKZGNQRKSOKD-INIZCTEOSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccnc(F)c1 ZINC000950754964 611890417 /nfs/dbraw/zinc/89/04/17/611890417.db2.gz AHGOQDSGMJZVMM-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccnc(F)c1 ZINC000950754964 611890419 /nfs/dbraw/zinc/89/04/19/611890419.db2.gz AHGOQDSGMJZVMM-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1=CCOCC1 ZINC000950755285 611890878 /nfs/dbraw/zinc/89/08/78/611890878.db2.gz IRIQWRWIUMLJBR-CVEARBPZSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1=CCOCC1 ZINC000950755285 611890879 /nfs/dbraw/zinc/89/08/79/611890879.db2.gz IRIQWRWIUMLJBR-CVEARBPZSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c(C)ccn1C ZINC000950755991 611891772 /nfs/dbraw/zinc/89/17/72/611891772.db2.gz ZIANFPFBFKJRIM-CVEARBPZSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c(C)ccn1C ZINC000950755991 611891774 /nfs/dbraw/zinc/89/17/74/611891774.db2.gz ZIANFPFBFKJRIM-CVEARBPZSA-N 1 1 342.443 0.762 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)nc1 ZINC000950776955 611904424 /nfs/dbraw/zinc/90/44/24/611904424.db2.gz KVEUYSZXECHJIH-RBSFLKMASA-N 1 1 349.394 0.920 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000949298128 611931106 /nfs/dbraw/zinc/93/11/06/611931106.db2.gz JSTYJIOUTVQOLJ-IJEWVQPXSA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1)C1CCC1 ZINC000949298166 611931465 /nfs/dbraw/zinc/93/14/65/611931465.db2.gz KLKZEECVMGYUGL-AWEZNQCLSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@@H]1CCCN(C)C1=O)CCO2 ZINC000949320984 611938257 /nfs/dbraw/zinc/93/82/57/611938257.db2.gz YNYOIDNWTSHJJH-HUUCEWRRSA-N 1 1 348.447 0.460 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@@H]1CCCN(C)C1=O)CCO2 ZINC000949320984 611938258 /nfs/dbraw/zinc/93/82/58/611938258.db2.gz YNYOIDNWTSHJJH-HUUCEWRRSA-N 1 1 348.447 0.460 20 30 ECEDMO COCC[N@H+]1CCOC2(CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000949332836 611941689 /nfs/dbraw/zinc/94/16/89/611941689.db2.gz VCMAOCYABYXZRR-UHFFFAOYSA-N 1 1 332.404 0.840 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 ZINC000949343526 611945627 /nfs/dbraw/zinc/94/56/27/611945627.db2.gz GRVBUTMAHQIYRO-HNNXBMFYSA-N 1 1 331.420 0.556 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 ZINC000949343526 611945629 /nfs/dbraw/zinc/94/56/29/611945629.db2.gz GRVBUTMAHQIYRO-HNNXBMFYSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 ZINC000949343559 611945879 /nfs/dbraw/zinc/94/58/79/611945879.db2.gz HXQVRBFERAPOCO-HNNXBMFYSA-N 1 1 331.420 0.556 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950862577 611950956 /nfs/dbraw/zinc/95/09/56/611950956.db2.gz JHCBLWQJBAIEER-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000950862955 611951467 /nfs/dbraw/zinc/95/14/67/611951467.db2.gz ODZOEHJGHBNALJ-HZPDHXFCSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950862880 611951696 /nfs/dbraw/zinc/95/16/96/611951696.db2.gz NGZFDXAJDXQUDI-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC000949379118 611957521 /nfs/dbraw/zinc/95/75/21/611957521.db2.gz ONTKRWYISJBLJE-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC000949391739 611962107 /nfs/dbraw/zinc/96/21/07/611962107.db2.gz UYAFKRGEXKQDGA-UHFFFAOYSA-N 1 1 330.388 0.513 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC000949391739 611962109 /nfs/dbraw/zinc/96/21/09/611962109.db2.gz UYAFKRGEXKQDGA-UHFFFAOYSA-N 1 1 330.388 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccns1 ZINC000950307227 611964792 /nfs/dbraw/zinc/96/47/92/611964792.db2.gz GZGJXHVFTLLYAJ-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccns1 ZINC000950307227 611964795 /nfs/dbraw/zinc/96/47/95/611964795.db2.gz GZGJXHVFTLLYAJ-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000950317585 611968414 /nfs/dbraw/zinc/96/84/14/611968414.db2.gz TUXANJLZNHTGRB-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000949414617 611971103 /nfs/dbraw/zinc/97/11/03/611971103.db2.gz KMVCMICJKPPOME-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(CC)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC000950360004 611986198 /nfs/dbraw/zinc/98/61/98/611986198.db2.gz MLXNXEXTEARZIG-OIISXLGYSA-N 1 1 348.491 0.646 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468323 611990315 /nfs/dbraw/zinc/99/03/15/611990315.db2.gz DWSBQMHKXWMYAW-INIZCTEOSA-N 1 1 347.459 0.762 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468591 611990598 /nfs/dbraw/zinc/99/05/98/611990598.db2.gz ISPMMRMCUMWVQG-MRXNPFEDSA-N 1 1 347.459 0.762 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468591 611990600 /nfs/dbraw/zinc/99/06/00/611990600.db2.gz ISPMMRMCUMWVQG-MRXNPFEDSA-N 1 1 347.459 0.762 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468589 611990622 /nfs/dbraw/zinc/99/06/22/611990622.db2.gz ISPMMRMCUMWVQG-INIZCTEOSA-N 1 1 347.459 0.762 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468589 611990624 /nfs/dbraw/zinc/99/06/24/611990624.db2.gz ISPMMRMCUMWVQG-INIZCTEOSA-N 1 1 347.459 0.762 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC000949472392 611992241 /nfs/dbraw/zinc/99/22/41/611992241.db2.gz BOTDHLFCMPKECA-UHFFFAOYSA-N 1 1 345.447 0.464 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949480202 611995719 /nfs/dbraw/zinc/99/57/19/611995719.db2.gz LFSUQTZUQTWKNH-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(OC)no1 ZINC000949502092 612010816 /nfs/dbraw/zinc/01/08/16/612010816.db2.gz JMTLYXZXPKBBHI-OLZOCXBDSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(OC)no1 ZINC000949502092 612010818 /nfs/dbraw/zinc/01/08/18/612010818.db2.gz JMTLYXZXPKBBHI-OLZOCXBDSA-N 1 1 346.387 0.112 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC000949523629 612019784 /nfs/dbraw/zinc/01/97/84/612019784.db2.gz WLESDEWDRAQLMM-UHFFFAOYSA-N 1 1 332.404 0.273 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC000949523629 612019786 /nfs/dbraw/zinc/01/97/86/612019786.db2.gz WLESDEWDRAQLMM-UHFFFAOYSA-N 1 1 332.404 0.273 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC000949529023 612022102 /nfs/dbraw/zinc/02/21/02/612022102.db2.gz IAMATLSDDXYWID-UHFFFAOYSA-N 1 1 332.404 0.607 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC000949529023 612022104 /nfs/dbraw/zinc/02/21/04/612022104.db2.gz IAMATLSDDXYWID-UHFFFAOYSA-N 1 1 332.404 0.607 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534088 612023602 /nfs/dbraw/zinc/02/36/02/612023602.db2.gz OIYAFEUZIYHCCS-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534088 612023604 /nfs/dbraw/zinc/02/36/04/612023604.db2.gz OIYAFEUZIYHCCS-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnsn2)C1 ZINC000950533452 612057744 /nfs/dbraw/zinc/05/77/44/612057744.db2.gz GHPDOCPLDVEIBZ-HNNXBMFYSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnsn2)C1 ZINC000950533452 612057745 /nfs/dbraw/zinc/05/77/45/612057745.db2.gz GHPDOCPLDVEIBZ-HNNXBMFYSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H]2CCN(CC)C2=O)C1 ZINC000950533511 612057831 /nfs/dbraw/zinc/05/78/31/612057831.db2.gz IUKNEPCPSFFLMI-IRXDYDNUSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H]2CCN(CC)C2=O)C1 ZINC000950533511 612057832 /nfs/dbraw/zinc/05/78/32/612057832.db2.gz IUKNEPCPSFFLMI-IRXDYDNUSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cnsn2)C1 ZINC000951223536 612088210 /nfs/dbraw/zinc/08/82/10/612088210.db2.gz JXQOLQVEANMZMB-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cnsn2)C1 ZINC000951223536 612088212 /nfs/dbraw/zinc/08/82/12/612088212.db2.gz JXQOLQVEANMZMB-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2conc2C)C1 ZINC000951223754 612088482 /nfs/dbraw/zinc/08/84/82/612088482.db2.gz PCQIRTFJGVZSSF-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2conc2C)C1 ZINC000951223754 612088484 /nfs/dbraw/zinc/08/84/84/612088484.db2.gz PCQIRTFJGVZSSF-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc(C)on2)C1 ZINC000951223678 612088499 /nfs/dbraw/zinc/08/84/99/612088499.db2.gz NHWOIRSKZOMRDM-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc(C)on2)C1 ZINC000951223678 612088502 /nfs/dbraw/zinc/08/85/02/612088502.db2.gz NHWOIRSKZOMRDM-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC000951224217 612089542 /nfs/dbraw/zinc/08/95/42/612089542.db2.gz ZTUFOLPROYPQNG-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC000951224217 612089545 /nfs/dbraw/zinc/08/95/45/612089545.db2.gz ZTUFOLPROYPQNG-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2conc2C)C1 ZINC000951865335 612103937 /nfs/dbraw/zinc/10/39/37/612103937.db2.gz PVDSBJMROLGZMM-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2conc2C)C1 ZINC000951865335 612103938 /nfs/dbraw/zinc/10/39/38/612103938.db2.gz PVDSBJMROLGZMM-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CCC[C@H]2C)c1 ZINC000952014436 612177405 /nfs/dbraw/zinc/17/74/05/612177405.db2.gz LVGNBMLKPDCZTP-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cn2cc[nH+]c2C)cn1 ZINC000951386148 612199114 /nfs/dbraw/zinc/19/91/14/612199114.db2.gz VTXYLQKLIPBDQX-MRXNPFEDSA-N 1 1 337.383 0.599 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000951495310 612269508 /nfs/dbraw/zinc/26/95/08/612269508.db2.gz YIYQVMPCJXRUFK-HOTGVXAUSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC000955263468 612392479 /nfs/dbraw/zinc/39/24/79/612392479.db2.gz DYBAYRFDNJKJCO-CQSZACIVSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000953902106 612412939 /nfs/dbraw/zinc/41/29/39/612412939.db2.gz APYBWLXIHGVLSP-GOSISDBHSA-N 1 1 339.439 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000954630872 612469530 /nfs/dbraw/zinc/46/95/30/612469530.db2.gz NGLYKRJBECLYOV-WBVHZDCISA-N 1 1 342.443 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000954630872 612469532 /nfs/dbraw/zinc/46/95/32/612469532.db2.gz NGLYKRJBECLYOV-WBVHZDCISA-N 1 1 342.443 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnccc2C)C1 ZINC000953952876 612487322 /nfs/dbraw/zinc/48/73/22/612487322.db2.gz KTXGXRWKXRLAAK-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnccc2C)C1 ZINC000953952876 612487326 /nfs/dbraw/zinc/48/73/26/612487326.db2.gz KTXGXRWKXRLAAK-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C=C1CCC(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000953958002 612492840 /nfs/dbraw/zinc/49/28/40/612492840.db2.gz OXMMADPIUMONED-INIZCTEOSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CCC(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000953958002 612492841 /nfs/dbraw/zinc/49/28/41/612492841.db2.gz OXMMADPIUMONED-INIZCTEOSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC000955929433 612498170 /nfs/dbraw/zinc/49/81/70/612498170.db2.gz IEAGIEYDEAZMJL-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000956777145 612518952 /nfs/dbraw/zinc/51/89/52/612518952.db2.gz UULIJJUWDHGYBR-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000953999461 612537717 /nfs/dbraw/zinc/53/77/17/612537717.db2.gz PPZGMCMAONILSE-GOEBONIOSA-N 1 1 343.431 0.899 20 30 ECEDMO N#Cc1ccc(CN2CCN(C(=O)CC[NH+]3CCOCC3)CC2)s1 ZINC000951754740 612559359 /nfs/dbraw/zinc/55/93/59/612559359.db2.gz UVPCTMQVLPBLIS-UHFFFAOYSA-N 1 1 348.472 0.986 20 30 ECEDMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954710491 612581290 /nfs/dbraw/zinc/58/12/90/612581290.db2.gz UOPJQPPNFWJOBR-HNNXBMFYSA-N 1 1 329.404 0.653 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000954108109 612671131 /nfs/dbraw/zinc/67/11/31/612671131.db2.gz MCNULTUVOVCCLG-UHFFFAOYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cccnn1 ZINC000956073474 612677250 /nfs/dbraw/zinc/67/72/50/612677250.db2.gz SOGPBRZHNLKZOW-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cccnn1 ZINC000956073474 612677252 /nfs/dbraw/zinc/67/72/52/612677252.db2.gz SOGPBRZHNLKZOW-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956935142 612718046 /nfs/dbraw/zinc/71/80/46/612718046.db2.gz QAOQQBIYFFQQFM-DYVFJYSZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000956935188 612718075 /nfs/dbraw/zinc/71/80/75/612718075.db2.gz QRXALIYRHIVIQH-KXBFYZLASA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC000954911614 612780797 /nfs/dbraw/zinc/78/07/97/612780797.db2.gz JBNNEKSMMCBUGI-INIZCTEOSA-N 1 1 326.400 0.440 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC000954912241 612781714 /nfs/dbraw/zinc/78/17/14/612781714.db2.gz GRFXVJGVIVQPRX-BBRMVZONSA-N 1 1 340.427 0.543 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956226651 612787957 /nfs/dbraw/zinc/78/79/57/612787957.db2.gz UIHSAUCGYPEIEW-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001164716438 720208957 /nfs/dbraw/zinc/20/89/57/720208957.db2.gz CTOTYIYNAPEHDS-SFHVURJKSA-N 1 1 343.431 0.618 20 30 ECEDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001164716438 720208969 /nfs/dbraw/zinc/20/89/69/720208969.db2.gz CTOTYIYNAPEHDS-SFHVURJKSA-N 1 1 343.431 0.618 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C#N)c(OC)n3)CC[C@@H]2C1 ZINC001164849764 720843743 /nfs/dbraw/zinc/84/37/43/720843743.db2.gz CUZQMGGLZKDSSK-HIFRSBDPSA-N 1 1 347.419 0.530 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1 ZINC001098560979 735449735 /nfs/dbraw/zinc/44/97/35/735449735.db2.gz KUAMDRUOYZFKST-UHFFFAOYSA-N 1 1 348.447 0.813 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1=O ZINC000981957204 751339924 /nfs/dbraw/zinc/33/99/24/751339924.db2.gz GDAKMBHMPAZVGL-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H](n2ccnn2)C1 ZINC001069973763 790265777 /nfs/dbraw/zinc/26/57/77/790265777.db2.gz KBOXWMYUKIMJED-CABCVRRESA-N 1 1 340.387 0.360 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H](n2ccnn2)C1 ZINC001069973763 790265781 /nfs/dbraw/zinc/26/57/81/790265781.db2.gz KBOXWMYUKIMJED-CABCVRRESA-N 1 1 340.387 0.360 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000969137328 731513972 /nfs/dbraw/zinc/51/39/72/731513972.db2.gz XJWVRBKCUWDBBI-IRXDYDNUSA-N 1 1 335.448 0.618 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000969150204 731526707 /nfs/dbraw/zinc/52/67/07/731526707.db2.gz DSURHCHFVBBIMU-OLZOCXBDSA-N 1 1 349.884 0.791 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000969150204 731526709 /nfs/dbraw/zinc/52/67/09/731526709.db2.gz DSURHCHFVBBIMU-OLZOCXBDSA-N 1 1 349.884 0.791 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)cn1 ZINC001125279261 731556095 /nfs/dbraw/zinc/55/60/95/731556095.db2.gz JIOFIGQNZLTNFB-GOEBONIOSA-N 1 1 345.447 0.693 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069977698 790270298 /nfs/dbraw/zinc/27/02/98/790270298.db2.gz ZXRKEPKCCJXSLB-HZMVEIRTSA-N 1 1 345.447 0.868 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069977698 790270301 /nfs/dbraw/zinc/27/03/01/790270301.db2.gz ZXRKEPKCCJXSLB-HZMVEIRTSA-N 1 1 345.447 0.868 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](n2ccnn2)C1 ZINC001069977962 790270601 /nfs/dbraw/zinc/27/06/01/790270601.db2.gz OXZOXTGDFNMPLO-CVEARBPZSA-N 1 1 343.435 0.480 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N(CCO)CCNc1cnc(C#N)cn1 ZINC001111582938 731619138 /nfs/dbraw/zinc/61/91/38/731619138.db2.gz YAASLWNCSAKSFI-HNNXBMFYSA-N 1 1 346.435 0.455 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cnccn3)C2)C1=O ZINC000969233689 731629230 /nfs/dbraw/zinc/62/92/30/731629230.db2.gz PMXMNPFTIASPNY-SWLSCSKDSA-N 1 1 329.404 0.314 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)cn1 ZINC001041794893 782223554 /nfs/dbraw/zinc/22/35/54/782223554.db2.gz XQGYNBVVBSZQMM-LPHOPBHVSA-N 1 1 338.411 0.489 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cnn(C)c3)C2)C1=O ZINC000969277253 731665972 /nfs/dbraw/zinc/66/59/72/731665972.db2.gz UWJDEUVECHQPFW-IUODEOHRSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ncoc3C)C2)C1=O ZINC000969370410 731775018 /nfs/dbraw/zinc/77/50/18/731775018.db2.gz MLXVZHMIRIMCLT-RISCZKNCSA-N 1 1 332.404 0.820 20 30 ECEDMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973007209 738537272 /nfs/dbraw/zinc/53/72/72/738537272.db2.gz WAVHKIZAMKNWOM-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO CC1(C)C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973011225 738538452 /nfs/dbraw/zinc/53/84/52/738538452.db2.gz QBBZLTRUOONGPL-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001041806169 782239766 /nfs/dbraw/zinc/23/97/66/782239766.db2.gz VGJCAUARBAGEQN-HZPDHXFCSA-N 1 1 341.477 0.569 20 30 ECEDMO C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001041809270 782246220 /nfs/dbraw/zinc/24/62/20/782246220.db2.gz YEZYSXZPJNZDNI-BPLDGKMQSA-N 1 1 329.404 0.225 20 30 ECEDMO C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001041809270 782246227 /nfs/dbraw/zinc/24/62/27/782246227.db2.gz YEZYSXZPJNZDNI-BPLDGKMQSA-N 1 1 329.404 0.225 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969592745 731991426 /nfs/dbraw/zinc/99/14/26/731991426.db2.gz AHXPFLLYRVUKNP-NHYWBVRUSA-N 1 1 328.372 0.603 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(=O)N1CCC1 ZINC001087357359 738579939 /nfs/dbraw/zinc/57/99/39/738579939.db2.gz PEVGPXUDQTURMF-MLHJIOFPSA-N 1 1 341.455 0.801 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1 ZINC001069982683 790276298 /nfs/dbraw/zinc/27/62/98/790276298.db2.gz NRNYQBBJSUOYGP-QKMYFLCJSA-N 1 1 329.404 0.229 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1 ZINC001069982683 790276303 /nfs/dbraw/zinc/27/63/03/790276303.db2.gz NRNYQBBJSUOYGP-QKMYFLCJSA-N 1 1 329.404 0.229 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3nc4nccc(C)n4n3)C2)C1 ZINC001041812164 782252342 /nfs/dbraw/zinc/25/23/42/782252342.db2.gz IFLUWGHPCYSPBJ-GOSISDBHSA-N 1 1 338.415 0.994 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H](C)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000969838547 732428054 /nfs/dbraw/zinc/42/80/54/732428054.db2.gz YZHKZGIWKPDWBU-BBRMVZONSA-N 1 1 330.432 0.955 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001208963475 732439035 /nfs/dbraw/zinc/43/90/35/732439035.db2.gz LSGKERQJYBZKRJ-CRAIPNDOSA-N 1 1 341.455 0.977 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001208963475 732439037 /nfs/dbraw/zinc/43/90/37/732439037.db2.gz LSGKERQJYBZKRJ-CRAIPNDOSA-N 1 1 341.455 0.977 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnn(C)n2)c1 ZINC001025078080 738610330 /nfs/dbraw/zinc/61/03/30/738610330.db2.gz LYYWTCSLCCMAIC-QGZVFWFLSA-N 1 1 338.415 0.976 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nc(CC)no2)C1 ZINC000969866708 732465246 /nfs/dbraw/zinc/46/52/46/732465246.db2.gz ZGYXYICOUMAUCH-ZFWWWQNUSA-N 1 1 345.447 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nc(CC)no2)C1 ZINC000969866708 732465248 /nfs/dbraw/zinc/46/52/48/732465248.db2.gz ZGYXYICOUMAUCH-ZFWWWQNUSA-N 1 1 345.447 0.666 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(CC)n3C)C2)c1 ZINC000969887984 732483085 /nfs/dbraw/zinc/48/30/85/732483085.db2.gz GZNQAVNYLHAINZ-OAHLLOKOSA-N 1 1 338.415 0.758 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC000969908210 732506473 /nfs/dbraw/zinc/50/64/73/732506473.db2.gz POYNQWJTRTYEKV-BXUZGUMPSA-N 1 1 345.403 0.019 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC000969925703 732523342 /nfs/dbraw/zinc/52/33/42/732523342.db2.gz DGTJUFNAUPUUMH-BXUZGUMPSA-N 1 1 345.403 0.019 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1cc(C)[nH+]c(C)n1 ZINC001125310260 732537235 /nfs/dbraw/zinc/53/72/35/732537235.db2.gz URJNUOLGUGCSOH-XHSDSOJGSA-N 1 1 348.447 0.940 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC000969944303 732545705 /nfs/dbraw/zinc/54/57/05/732545705.db2.gz MJYHQYDOVJGHTF-DZGCQCFKSA-N 1 1 330.432 0.918 20 30 ECEDMO CC#CCN1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193796 732628075 /nfs/dbraw/zinc/62/80/75/732628075.db2.gz ILVJLEVAWUDFEM-RYQLBKOJSA-N 1 1 342.443 0.689 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1=O ZINC000970060597 732696804 /nfs/dbraw/zinc/69/68/04/732696804.db2.gz WOXWWSDAFGKCJY-KGLIPLIRSA-N 1 1 343.431 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001041821215 782270755 /nfs/dbraw/zinc/27/07/55/782270755.db2.gz CWUPQTKCMSOCRH-DYVFJYSZSA-N 1 1 334.420 0.475 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001078082175 782273844 /nfs/dbraw/zinc/27/38/44/782273844.db2.gz FPWPMWUYIGWZIW-IPMKNSEASA-N 1 1 342.439 0.941 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001041829490 782292721 /nfs/dbraw/zinc/29/27/21/782292721.db2.gz WUTFIDKKGXEUMT-KRWDZBQOSA-N 1 1 330.388 0.047 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nonc2C)nn1 ZINC001025107898 738663116 /nfs/dbraw/zinc/66/31/16/738663116.db2.gz PAXPCILWQWXUQB-CYBMUJFWSA-N 1 1 345.407 0.940 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(C(N)=O)cn3)[C@H]2C1 ZINC001083199784 733123805 /nfs/dbraw/zinc/12/38/05/733123805.db2.gz VZXWPWDQXWMAER-JKSUJKDBSA-N 1 1 344.415 0.590 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 ZINC001039149737 733141496 /nfs/dbraw/zinc/14/14/96/733141496.db2.gz FLXZIOXLNFGCCI-MRXNPFEDSA-N 1 1 334.464 0.165 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2ccc(N(C)C)nn2)CC1 ZINC001098536214 733160462 /nfs/dbraw/zinc/16/04/62/733160462.db2.gz DGNKUTTWNPRWRF-UHFFFAOYSA-N 1 1 345.447 0.465 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC001041843662 782324705 /nfs/dbraw/zinc/32/47/05/782324705.db2.gz VFJTXNQCOOTPPA-CRAIPNDOSA-N 1 1 327.432 0.788 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3oc2=O)C1 ZINC001078117642 782327538 /nfs/dbraw/zinc/32/75/38/782327538.db2.gz HFWMMUFTUUJDDZ-HUUCEWRRSA-N 1 1 326.352 0.591 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnc(CC)[nH]3)C2)nn1 ZINC000970205120 733198357 /nfs/dbraw/zinc/19/83/57/733198357.db2.gz DBXPBZWFCDKCHE-VXGBXAGGSA-N 1 1 344.423 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3coc(OC)n3)C2)C1=O ZINC000970219639 733229734 /nfs/dbraw/zinc/22/97/34/733229734.db2.gz GIYHLTSMNKBFOF-BXUZGUMPSA-N 1 1 348.403 0.520 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3c(C)cnn3C)C2)C1=O ZINC000970296318 733327788 /nfs/dbraw/zinc/32/77/88/733327788.db2.gz RYPVNRBQTXOSOQ-HIFRSBDPSA-N 1 1 345.447 0.566 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cnc(C#N)cn1 ZINC001104253687 733368807 /nfs/dbraw/zinc/36/88/07/733368807.db2.gz WDMDPYLZXGQOLE-HIFRSBDPSA-N 1 1 326.404 0.610 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cnc(C#N)cn1 ZINC001104253687 733368809 /nfs/dbraw/zinc/36/88/09/733368809.db2.gz WDMDPYLZXGQOLE-HIFRSBDPSA-N 1 1 326.404 0.610 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNc2nccnc2C#N)CC1 ZINC001067471058 733407599 /nfs/dbraw/zinc/40/75/99/733407599.db2.gz PSVOUKVKQDDTQQ-CQSZACIVSA-N 1 1 344.419 0.208 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nnnn2C)nc1 ZINC001025141173 738712509 /nfs/dbraw/zinc/71/25/09/738712509.db2.gz KARDKTQMLCFJCB-CQSZACIVSA-N 1 1 339.403 0.371 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC001078132886 782351744 /nfs/dbraw/zinc/35/17/44/782351744.db2.gz NNGSNXCUZSKIHG-HUUCEWRRSA-N 1 1 332.400 0.738 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC000970543993 733660970 /nfs/dbraw/zinc/66/09/70/733660970.db2.gz DWVWTQLICWAIIZ-DOMZBBRYSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC000970544001 733661220 /nfs/dbraw/zinc/66/12/20/733661220.db2.gz DWVWTQLICWAIIZ-SWLSCSKDSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC000970561977 733676837 /nfs/dbraw/zinc/67/68/37/733676837.db2.gz DOGANQGHZZPOGS-WFASDCNBSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3nccs3)C2)C1=O ZINC000970632632 733762595 /nfs/dbraw/zinc/76/25/95/733762595.db2.gz VTOXZCQWYUYJRA-AAEUAGOBSA-N 1 1 334.445 0.980 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC1(C[NH2+]Cc2cnon2)CC1 ZINC001167391603 734128803 /nfs/dbraw/zinc/12/88/03/734128803.db2.gz MXOPZRGXIDXULY-OAHLLOKOSA-N 1 1 349.435 0.917 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CCC3)[C@@H]2C1 ZINC000971031511 734193097 /nfs/dbraw/zinc/19/30/97/734193097.db2.gz HGAYNWQHBSQBOE-IXDOHACOSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CCC3)[C@@H]2C1 ZINC000971031511 734193098 /nfs/dbraw/zinc/19/30/98/734193098.db2.gz HGAYNWQHBSQBOE-IXDOHACOSA-N 1 1 329.444 0.943 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cccn3)C2)C1=O ZINC000971075156 734235843 /nfs/dbraw/zinc/23/58/43/734235843.db2.gz LWLIEDNWRDVQQL-LSDHHAIUSA-N 1 1 331.420 0.203 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNc1nccnc1C#N ZINC001111584802 734271834 /nfs/dbraw/zinc/27/18/34/734271834.db2.gz OIHYZJPMNPBBGQ-CQSZACIVSA-N 1 1 332.408 0.065 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCC[C@]2(CCCOC2)C1 ZINC000261680517 734273429 /nfs/dbraw/zinc/27/34/29/734273429.db2.gz BUKINSMTJSMVBF-AEFFLSMTSA-N 1 1 335.496 0.454 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2c(C)n(C)nc2Cl)CC1 ZINC001098547788 734306402 /nfs/dbraw/zinc/30/64/02/734306402.db2.gz IKJRRJXSTIMREV-UHFFFAOYSA-N 1 1 338.839 0.914 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)csc2=O)C1 ZINC001078164464 782410732 /nfs/dbraw/zinc/41/07/32/782410732.db2.gz JZZACBOYWCUGJX-CHWSQXEVSA-N 1 1 325.434 0.346 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3ccnn3C)C2)C1=O ZINC000971182051 734342100 /nfs/dbraw/zinc/34/21/00/734342100.db2.gz ULSCMZSWBCLISR-KGLIPLIRSA-N 1 1 331.420 0.353 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)C1=O ZINC000971222152 734367546 /nfs/dbraw/zinc/36/75/46/734367546.db2.gz TXLUMPPBFXMGLJ-ZBFHGGJFSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cc(C)on3)C2)C1=O ZINC000971228488 734372297 /nfs/dbraw/zinc/37/22/97/734372297.db2.gz FBAYJDUUQVGQMS-CVEARBPZSA-N 1 1 346.431 0.845 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC000971235140 734378849 /nfs/dbraw/zinc/37/88/49/734378849.db2.gz DZJIKNHXMHVMDC-GJZGRUSLSA-N 1 1 345.447 0.960 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CCSC)C1 ZINC001149167483 734394111 /nfs/dbraw/zinc/39/41/11/734394111.db2.gz GZBTXHPVRNLFDC-KBPBESRZSA-N 1 1 343.493 0.637 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CCSC)C1 ZINC001149167483 734394113 /nfs/dbraw/zinc/39/41/13/734394113.db2.gz GZBTXHPVRNLFDC-KBPBESRZSA-N 1 1 343.493 0.637 20 30 ECEDMO CN1CCC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000971288422 734421543 /nfs/dbraw/zinc/42/15/43/734421543.db2.gz IXOQTPKMHDEXFK-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 ZINC001104337534 734434734 /nfs/dbraw/zinc/43/47/34/734434734.db2.gz BDVIEJPSDJNARA-CYBMUJFWSA-N 1 1 346.435 0.400 20 30 ECEDMO C[N@@H+](CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971343618 734460072 /nfs/dbraw/zinc/46/00/72/734460072.db2.gz NEUOKNWZJWETRN-ZDUSSCGKSA-N 1 1 343.387 0.182 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)[C@H]2C1 ZINC001083217207 734535384 /nfs/dbraw/zinc/53/53/84/734535384.db2.gz NBIXSPYYNWCCKM-UONOGXRCSA-N 1 1 330.388 0.771 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)[C@H]2C1 ZINC001083217207 734535387 /nfs/dbraw/zinc/53/53/87/734535387.db2.gz NBIXSPYYNWCCKM-UONOGXRCSA-N 1 1 330.388 0.771 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@@H+]2CC(N)=O)c[nH]1 ZINC001025218339 738827723 /nfs/dbraw/zinc/82/77/23/738827723.db2.gz KJFMESQEMPSOJX-HUUCEWRRSA-N 1 1 329.404 0.831 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3ccnn3C)C2)C1=O ZINC000971430264 734574703 /nfs/dbraw/zinc/57/47/03/734574703.db2.gz UKGLONASFGUBOS-JKSUJKDBSA-N 1 1 345.447 0.282 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)CCO1)C1CCC1 ZINC001104353101 734596899 /nfs/dbraw/zinc/59/68/99/734596899.db2.gz PMCUBWOJEGLHLY-QGZVFWFLSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccon3)[C@@H]2C1 ZINC000971449303 734603397 /nfs/dbraw/zinc/60/33/97/734603397.db2.gz IEGBRQGEAUHNNB-VNQPRFMTSA-N 1 1 342.399 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccon3)[C@@H]2C1 ZINC000971449303 734603398 /nfs/dbraw/zinc/60/33/98/734603398.db2.gz IEGBRQGEAUHNNB-VNQPRFMTSA-N 1 1 342.399 0.445 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C)nn3)C2)C1=O ZINC000971522149 734709869 /nfs/dbraw/zinc/70/98/69/734709869.db2.gz IQEXNRCSGVMARN-ZBFHGGJFSA-N 1 1 343.431 0.718 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000971566894 734755026 /nfs/dbraw/zinc/75/50/26/734755026.db2.gz AKRBEACQXYGNRQ-DAXOMENPSA-N 1 1 341.415 0.653 20 30 ECEDMO CC(C)N(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125526933 734783902 /nfs/dbraw/zinc/78/39/02/734783902.db2.gz DHSGRPLEHZIIJG-AWEZNQCLSA-N 1 1 330.436 0.973 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CS(=O)(=O)C1 ZINC001025231015 738852939 /nfs/dbraw/zinc/85/29/39/738852939.db2.gz FAYRQPNIYRCUCE-JKSUJKDBSA-N 1 1 338.473 0.900 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000973178248 738869667 /nfs/dbraw/zinc/86/96/67/738869667.db2.gz UGFMSNPIANGWPU-YDHLFZDLSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC000971747243 735021471 /nfs/dbraw/zinc/02/14/71/735021471.db2.gz VDFLRGYBOYMZLZ-OLZOCXBDSA-N 1 1 347.419 0.357 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)Nc2nccnc2C#N)C1 ZINC001098214943 735196442 /nfs/dbraw/zinc/19/64/42/735196442.db2.gz CGOLYQRQINDJLK-JSGCOSHPSA-N 1 1 332.408 0.374 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001078198432 782477820 /nfs/dbraw/zinc/47/78/20/782477820.db2.gz NZAXOIHIBQNMGZ-BZUAXINKSA-N 1 1 337.464 0.761 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000971861449 735268361 /nfs/dbraw/zinc/26/83/61/735268361.db2.gz NWQJWLGLHZULGH-LLVKDONJSA-N 1 1 327.406 0.649 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)[C@H]1CCC[N@H+]1C ZINC000987928577 751344649 /nfs/dbraw/zinc/34/46/49/751344649.db2.gz VVMNHPKMJBFTCR-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC000972074236 735613821 /nfs/dbraw/zinc/61/38/21/735613821.db2.gz YRRFEKJQSDMKCW-CYBMUJFWSA-N 1 1 336.436 0.673 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cccn2)C1 ZINC001111587813 735702053 /nfs/dbraw/zinc/70/20/53/735702053.db2.gz KAWPCZMNFZWBJZ-YOEHRIQHSA-N 1 1 331.420 0.156 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2csnn2)[C@@H](n2ccnn2)C1 ZINC001069990024 790284938 /nfs/dbraw/zinc/28/49/38/790284938.db2.gz CMYAGYOCOPRHBB-YPMHNXCESA-N 1 1 333.421 0.751 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972201094 735778614 /nfs/dbraw/zinc/77/86/14/735778614.db2.gz XBRZQQAQHYRVNO-LSDHHAIUSA-N 1 1 327.388 0.272 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972201094 735778617 /nfs/dbraw/zinc/77/86/17/735778617.db2.gz XBRZQQAQHYRVNO-LSDHHAIUSA-N 1 1 327.388 0.272 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC001098566588 735841921 /nfs/dbraw/zinc/84/19/21/735841921.db2.gz CSGDDBAVVDKASB-HNNXBMFYSA-N 1 1 344.459 0.823 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000972254220 735849820 /nfs/dbraw/zinc/84/98/20/735849820.db2.gz WQQKDCNVEYVLHP-HZPDHXFCSA-N 1 1 326.400 0.664 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087215508 735860753 /nfs/dbraw/zinc/86/07/53/735860753.db2.gz BMZXAWOEBLSNFQ-BARDWOONSA-N 1 1 348.451 0.518 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)c1 ZINC000972284512 735889054 /nfs/dbraw/zinc/88/90/54/735889054.db2.gz LFZYWYMTXNSBCN-HUUCEWRRSA-N 1 1 340.383 0.014 20 30 ECEDMO CCn1cc(CC[N@@H+]2CCO[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)cn1 ZINC000972297646 735907107 /nfs/dbraw/zinc/90/71/07/735907107.db2.gz KPJWWGQIHCMGDP-MAUKXSAKSA-N 1 1 345.447 0.908 20 30 ECEDMO CCn1cc(CC[N@H+]2CCO[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)cn1 ZINC000972297646 735907110 /nfs/dbraw/zinc/90/71/10/735907110.db2.gz KPJWWGQIHCMGDP-MAUKXSAKSA-N 1 1 345.447 0.908 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000972315984 735934467 /nfs/dbraw/zinc/93/44/67/735934467.db2.gz KNGHCCQPBGFGDF-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO CO[C@@H](C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972322071 735941524 /nfs/dbraw/zinc/94/15/24/735941524.db2.gz ZQVCGRDBESPNIU-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972322071 735941529 /nfs/dbraw/zinc/94/15/29/735941529.db2.gz ZQVCGRDBESPNIU-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO Cn1cc(CC[N@@H+]2CCO[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)cn1 ZINC000972380291 736048469 /nfs/dbraw/zinc/04/84/69/736048469.db2.gz HHODCYHHFCUTQV-IBGZPJMESA-N 1 1 342.443 0.679 20 30 ECEDMO Cn1cc(CC[N@H+]2CCO[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)cn1 ZINC000972380291 736048474 /nfs/dbraw/zinc/04/84/74/736048474.db2.gz HHODCYHHFCUTQV-IBGZPJMESA-N 1 1 342.443 0.679 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000972387564 736059372 /nfs/dbraw/zinc/05/93/72/736059372.db2.gz RVKWXIGGVJNVDR-QGZVFWFLSA-N 1 1 348.451 0.921 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000972387564 736059378 /nfs/dbraw/zinc/05/93/78/736059378.db2.gz RVKWXIGGVJNVDR-QGZVFWFLSA-N 1 1 348.451 0.921 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972393067 736110035 /nfs/dbraw/zinc/11/00/35/736110035.db2.gz PHAQVOTVGLXTOZ-SOLBZPMBSA-N 1 1 338.448 0.653 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972393067 736110038 /nfs/dbraw/zinc/11/00/38/736110038.db2.gz PHAQVOTVGLXTOZ-SOLBZPMBSA-N 1 1 338.448 0.653 20 30 ECEDMO C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000972407248 736135409 /nfs/dbraw/zinc/13/54/09/736135409.db2.gz CZTWXNZQKFIDJA-CRAIPNDOSA-N 1 1 328.416 0.697 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cnn(C)c3C)C2)C1 ZINC000972408950 736140299 /nfs/dbraw/zinc/14/02/99/736140299.db2.gz QIPAXYBTQVBZLG-GOSISDBHSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cnn(C)c3C)C2)C1 ZINC000972408950 736140303 /nfs/dbraw/zinc/14/03/03/736140303.db2.gz QIPAXYBTQVBZLG-GOSISDBHSA-N 1 1 330.432 0.598 20 30 ECEDMO N#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000972411055 736148362 /nfs/dbraw/zinc/14/83/62/736148362.db2.gz WHNABUZWFVUTNT-RHSMWYFYSA-N 1 1 329.404 0.587 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCC4)C2)C1 ZINC000972417195 736155403 /nfs/dbraw/zinc/15/54/03/736155403.db2.gz RXPSJYIMSCNHKE-SFHVURJKSA-N 1 1 328.416 0.770 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCC4)C2)C1 ZINC000972417195 736155406 /nfs/dbraw/zinc/15/54/06/736155406.db2.gz RXPSJYIMSCNHKE-SFHVURJKSA-N 1 1 328.416 0.770 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972425627 736174831 /nfs/dbraw/zinc/17/48/31/736174831.db2.gz PPWORQMNRPBBKK-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972425627 736174833 /nfs/dbraw/zinc/17/48/33/736174833.db2.gz PPWORQMNRPBBKK-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nc[nH]c4n3)C2)C1 ZINC000972429182 736178542 /nfs/dbraw/zinc/17/85/42/736178542.db2.gz ZFKYUYKUKFTXBK-SFHVURJKSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nc[nH]c4n3)C2)C1 ZINC000972429182 736178544 /nfs/dbraw/zinc/17/85/44/736178544.db2.gz ZFKYUYKUKFTXBK-SFHVURJKSA-N 1 1 339.399 0.898 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 ZINC000972445786 736215836 /nfs/dbraw/zinc/21/58/36/736215836.db2.gz DWMQQZPBLYNMHM-SFHVURJKSA-N 1 1 335.448 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972456000 736245439 /nfs/dbraw/zinc/24/54/39/736245439.db2.gz PPADVRZKBXCVHA-HKUYNNGSSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972456000 736245443 /nfs/dbraw/zinc/24/54/43/736245443.db2.gz PPADVRZKBXCVHA-HKUYNNGSSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc(OC)n3)C2)C1 ZINC000972460909 736256074 /nfs/dbraw/zinc/25/60/74/736256074.db2.gz LYIFBITXQSLXQZ-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972479515 736302238 /nfs/dbraw/zinc/30/22/38/736302238.db2.gz BCWMWFQIAXTPAZ-KRWDZBQOSA-N 1 1 331.372 0.319 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972479515 736302244 /nfs/dbraw/zinc/30/22/44/736302244.db2.gz BCWMWFQIAXTPAZ-KRWDZBQOSA-N 1 1 331.372 0.319 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480200 736304981 /nfs/dbraw/zinc/30/49/81/736304981.db2.gz HXSUODHPXAILTH-AEFFLSMTSA-N 1 1 346.431 0.434 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480200 736304984 /nfs/dbraw/zinc/30/49/84/736304984.db2.gz HXSUODHPXAILTH-AEFFLSMTSA-N 1 1 346.431 0.434 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)CCc3cnn(C)c3)C2)nn1 ZINC000972498343 736413960 /nfs/dbraw/zinc/41/39/60/736413960.db2.gz AKEQIRHBJFOUIJ-OAHLLOKOSA-N 1 1 343.435 0.587 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)C3=COCCO3)C2)C1=O ZINC001023210075 736588399 /nfs/dbraw/zinc/58/83/99/736588399.db2.gz ACEMEYKANTZSHF-HUUCEWRRSA-N 1 1 349.431 0.490 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001023296405 736656060 /nfs/dbraw/zinc/65/60/60/736656060.db2.gz WWSMFJHEVUMNFA-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001023297329 736660129 /nfs/dbraw/zinc/66/01/29/736660129.db2.gz JXFIRMOVTUILRF-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001023308449 736666098 /nfs/dbraw/zinc/66/60/98/736666098.db2.gz QIGQYULEOGJMAE-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1)C1CC1 ZINC001023315103 736675733 /nfs/dbraw/zinc/67/57/33/736675733.db2.gz SJGQLLLLEPOXOZ-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972555565 736742268 /nfs/dbraw/zinc/74/22/68/736742268.db2.gz ZZSSJEDZOHWCGQ-RVKKMQEKSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)COCC=C)C1 ZINC001059846956 751377545 /nfs/dbraw/zinc/37/75/45/751377545.db2.gz IVDZELMKHFTBDP-SJORKVTESA-N 1 1 347.459 0.641 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)COCC=C)C1 ZINC001059846956 751377552 /nfs/dbraw/zinc/37/75/52/751377552.db2.gz IVDZELMKHFTBDP-SJORKVTESA-N 1 1 347.459 0.641 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001023438608 736830329 /nfs/dbraw/zinc/83/03/29/736830329.db2.gz AIKXGJZCNNMHOZ-AWEZNQCLSA-N 1 1 326.404 0.898 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001023439028 736833959 /nfs/dbraw/zinc/83/39/59/736833959.db2.gz MUVSPTXDPHNUPQ-CQSZACIVSA-N 1 1 326.404 0.898 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001023445830 736843945 /nfs/dbraw/zinc/84/39/45/736843945.db2.gz BZOPOLPSPVFNQJ-LBPRGKRZSA-N 1 1 341.433 0.945 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001023476269 736886062 /nfs/dbraw/zinc/88/60/62/736886062.db2.gz KQZRMAYIIVZXHJ-HNNXBMFYSA-N 1 1 346.431 0.355 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001023522199 736951266 /nfs/dbraw/zinc/95/12/66/736951266.db2.gz VWJSBWRDFWUVTA-CYBMUJFWSA-N 1 1 344.423 0.712 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001023522200 736951583 /nfs/dbraw/zinc/95/15/83/736951583.db2.gz VWJSBWRDFWUVTA-ZDUSSCGKSA-N 1 1 344.423 0.712 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001023558872 737009765 /nfs/dbraw/zinc/00/97/65/737009765.db2.gz WGQDYJDQICEFTO-GJZGRUSLSA-N 1 1 329.448 0.772 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000972594041 737023538 /nfs/dbraw/zinc/02/35/38/737023538.db2.gz PKYWISXEOVPSDM-CRAIPNDOSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)s3)C2)C1 ZINC000972596352 737030815 /nfs/dbraw/zinc/03/08/15/737030815.db2.gz LJYCLGRAUSHLBB-KRWDZBQOSA-N 1 1 347.440 0.787 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)s3)C2)C1 ZINC000972596352 737030818 /nfs/dbraw/zinc/03/08/18/737030818.db2.gz LJYCLGRAUSHLBB-KRWDZBQOSA-N 1 1 347.440 0.787 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3n[nH]cc3F)C2)C1=O ZINC001023576284 737032699 /nfs/dbraw/zinc/03/26/99/737032699.db2.gz GVVLSBKBWAAKQM-JSGCOSHPSA-N 1 1 349.410 0.778 20 30 ECEDMO CC#CCN1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972598834 737047219 /nfs/dbraw/zinc/04/72/19/737047219.db2.gz JVZLVBFRTAWDMA-SFHVURJKSA-N 1 1 335.448 0.035 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC000972603418 737068891 /nfs/dbraw/zinc/06/88/91/737068891.db2.gz VUDUYBOTKFTHKE-KRWDZBQOSA-N 1 1 342.403 0.617 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 ZINC000972607742 737090839 /nfs/dbraw/zinc/09/08/39/737090839.db2.gz HOFCRALAGFHOPH-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 ZINC000972607742 737090843 /nfs/dbraw/zinc/09/08/43/737090843.db2.gz HOFCRALAGFHOPH-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001023625331 737107560 /nfs/dbraw/zinc/10/75/60/737107560.db2.gz LPLZPFCCEIVQAI-CYBMUJFWSA-N 1 1 334.420 0.102 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1=O ZINC000972618544 737109813 /nfs/dbraw/zinc/10/98/13/737109813.db2.gz JRJYCNNLJVDLIA-KGLIPLIRSA-N 1 1 331.420 0.272 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001023626489 737111204 /nfs/dbraw/zinc/11/12/04/737111204.db2.gz ADNDLYSDTRJGHK-HUUCEWRRSA-N 1 1 326.462 0.663 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001023626489 737111207 /nfs/dbraw/zinc/11/12/07/737111207.db2.gz ADNDLYSDTRJGHK-HUUCEWRRSA-N 1 1 326.462 0.663 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001023637816 737124071 /nfs/dbraw/zinc/12/40/71/737124071.db2.gz SQBUDTLJLLLQAI-DZGCQCFKSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001023637988 737125039 /nfs/dbraw/zinc/12/50/39/737125039.db2.gz WEPDDQWAJRZBDZ-OLZOCXBDSA-N 1 1 334.424 0.040 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001023639401 737127314 /nfs/dbraw/zinc/12/73/14/737127314.db2.gz HQUHGXBSKHIJDK-STQMWFEESA-N 1 1 334.424 0.170 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972623644 737134480 /nfs/dbraw/zinc/13/44/80/737134480.db2.gz BPHDKBLHOXKFKZ-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3nnc[nH]3)C2)C1=O ZINC001023655591 737155592 /nfs/dbraw/zinc/15/55/92/737155592.db2.gz KXFDSQOOEYHYLI-OLZOCXBDSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](CNC(=O)c3ncn[nH]3)C2)C1=O ZINC001023655591 737155593 /nfs/dbraw/zinc/15/55/93/737155593.db2.gz KXFDSQOOEYHYLI-OLZOCXBDSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3ncn[nH]3)C2)C1=O ZINC001023655591 737155595 /nfs/dbraw/zinc/15/55/95/737155595.db2.gz KXFDSQOOEYHYLI-OLZOCXBDSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972639055 737202536 /nfs/dbraw/zinc/20/25/36/737202536.db2.gz OZFCOQUFHFUIOZ-RDTXWAMCSA-N 1 1 345.447 0.789 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001023701543 737211832 /nfs/dbraw/zinc/21/18/32/737211832.db2.gz VCQVKGGICMMJDC-CYBMUJFWSA-N 1 1 327.388 0.900 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000972669683 737317324 /nfs/dbraw/zinc/31/73/24/737317324.db2.gz RRVIPFYTVTYRLA-KRWDZBQOSA-N 1 1 335.404 0.015 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000972669683 737317325 /nfs/dbraw/zinc/31/73/25/737317325.db2.gz RRVIPFYTVTYRLA-KRWDZBQOSA-N 1 1 335.404 0.015 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972674361 737345298 /nfs/dbraw/zinc/34/52/98/737345298.db2.gz OABBFFKDCCTTRX-VQIMIIECSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972674361 737345301 /nfs/dbraw/zinc/34/53/01/737345301.db2.gz OABBFFKDCCTTRX-VQIMIIECSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2c(OC)ncnc2OC)C1 ZINC001023775943 737355616 /nfs/dbraw/zinc/35/56/16/737355616.db2.gz MENLWMCNXOFHMW-CYBMUJFWSA-N 1 1 332.404 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972682914 737371646 /nfs/dbraw/zinc/37/16/46/737371646.db2.gz KDPAWXJPKXPGJJ-SFHVURJKSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972682914 737371649 /nfs/dbraw/zinc/37/16/49/737371649.db2.gz KDPAWXJPKXPGJJ-SFHVURJKSA-N 1 1 342.399 0.121 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 ZINC000972693101 737398670 /nfs/dbraw/zinc/39/86/70/737398670.db2.gz WCUGOWLSLKRWEE-AEFFLSMTSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 ZINC000972693101 737398675 /nfs/dbraw/zinc/39/86/75/737398675.db2.gz WCUGOWLSLKRWEE-AEFFLSMTSA-N 1 1 335.448 0.877 20 30 ECEDMO C[N@@H+](CC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21)C1CCC1 ZINC000972739705 737577949 /nfs/dbraw/zinc/57/79/49/737577949.db2.gz WFXLSLQNHRWCSA-NVXWUHKLSA-N 1 1 329.444 0.943 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 ZINC001098584262 737712653 /nfs/dbraw/zinc/71/26/53/737712653.db2.gz RILJFIGDTQRBIO-UHFFFAOYSA-N 1 1 344.415 0.103 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(CC)oc1C ZINC001114959515 737727632 /nfs/dbraw/zinc/72/76/32/737727632.db2.gz FBQFTMBGCCBUGF-CNXAATOLSA-N 1 1 344.415 0.343 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(CC)oc1C ZINC001114959515 737727636 /nfs/dbraw/zinc/72/76/36/737727636.db2.gz FBQFTMBGCCBUGF-CNXAATOLSA-N 1 1 344.415 0.343 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001024122275 737733439 /nfs/dbraw/zinc/73/34/39/737733439.db2.gz UISVBHNUZMPKTL-OWCLPIDISA-N 1 1 349.475 0.905 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnsn2)C1=O ZINC001024342619 737909858 /nfs/dbraw/zinc/90/98/58/737909858.db2.gz YOWZYPKLXRSJPO-GXTWGEPZSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnsn2)C1=O ZINC001024342619 737909861 /nfs/dbraw/zinc/90/98/61/737909861.db2.gz YOWZYPKLXRSJPO-GXTWGEPZSA-N 1 1 349.460 0.909 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N2CCC2)c[nH]1 ZINC001024399324 737940153 /nfs/dbraw/zinc/94/01/53/737940153.db2.gz HRCOTEZBPMDHMN-OAHLLOKOSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N2CCC2)c[nH]1 ZINC001024399324 737940157 /nfs/dbraw/zinc/94/01/57/737940157.db2.gz HRCOTEZBPMDHMN-OAHLLOKOSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnnn2C)C1=O ZINC001024419512 737953337 /nfs/dbraw/zinc/95/33/37/737953337.db2.gz ZOFBQGMGFXJQSC-KGLIPLIRSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnnn2C)C1=O ZINC001024419512 737953345 /nfs/dbraw/zinc/95/33/45/737953345.db2.gz ZOFBQGMGFXJQSC-KGLIPLIRSA-N 1 1 346.435 0.186 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001024438723 737974973 /nfs/dbraw/zinc/97/49/73/737974973.db2.gz VMPJZQUPNRNLDU-CABCVRRESA-N 1 1 343.431 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccnn1C ZINC001024487432 738014803 /nfs/dbraw/zinc/01/48/03/738014803.db2.gz PANWGFOLBKDPSA-WMZOPIPTSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccnn1C ZINC001024487432 738014807 /nfs/dbraw/zinc/01/48/07/738014807.db2.gz PANWGFOLBKDPSA-WMZOPIPTSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccnn1C ZINC001024487432 738014809 /nfs/dbraw/zinc/01/48/09/738014809.db2.gz PANWGFOLBKDPSA-WMZOPIPTSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccnn1C ZINC001024487432 738014814 /nfs/dbraw/zinc/01/48/14/738014814.db2.gz PANWGFOLBKDPSA-WMZOPIPTSA-N 1 1 343.475 0.988 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001024515553 738049558 /nfs/dbraw/zinc/04/95/58/738049558.db2.gz VESFIWYWQMWTMS-KBPBESRZSA-N 1 1 331.420 0.540 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)c(C)n[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001069996205 790292300 /nfs/dbraw/zinc/29/23/00/790292300.db2.gz VYIRCYRJTLKNNO-OLZOCXBDSA-N 1 1 343.391 0.232 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)c(C)n[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001069996205 790292305 /nfs/dbraw/zinc/29/23/05/790292305.db2.gz VYIRCYRJTLKNNO-OLZOCXBDSA-N 1 1 343.391 0.232 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccc(C(F)(F)F)n3)[C@H]2C1 ZINC001083267584 738104662 /nfs/dbraw/zinc/10/46/62/738104662.db2.gz ITQIIHJRGVJNRJ-NWDGAFQWSA-N 1 1 344.337 1.000 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ccc(C(F)(F)F)n3)[C@H]2C1 ZINC001083267584 738104667 /nfs/dbraw/zinc/10/46/67/738104667.db2.gz ITQIIHJRGVJNRJ-NWDGAFQWSA-N 1 1 344.337 1.000 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001024575554 738122608 /nfs/dbraw/zinc/12/26/08/738122608.db2.gz LBNBLHIWZGRBEX-KBPBESRZSA-N 1 1 329.391 0.556 20 30 ECEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001024580895 738128069 /nfs/dbraw/zinc/12/80/69/738128069.db2.gz AAWQNPMDKCUPFN-ZDUSSCGKSA-N 1 1 344.423 0.854 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@H]21 ZINC001087292128 738133463 /nfs/dbraw/zinc/13/34/63/738133463.db2.gz GXVWUNPCGDMWEI-BMFZPTHFSA-N 1 1 347.463 0.763 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(CCO)CCNc1ccc(C#N)c(C)n1 ZINC001111492732 738138231 /nfs/dbraw/zinc/13/82/31/738138231.db2.gz NHUAGYKTNUHTJW-UHFFFAOYSA-N 1 1 333.436 0.836 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001024626312 738182109 /nfs/dbraw/zinc/18/21/09/738182109.db2.gz CHXXJFRVBDTHCU-HZPDHXFCSA-N 1 1 341.415 0.710 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001024626312 738182112 /nfs/dbraw/zinc/18/21/12/738182112.db2.gz CHXXJFRVBDTHCU-HZPDHXFCSA-N 1 1 341.415 0.710 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001024650943 738199917 /nfs/dbraw/zinc/19/99/17/738199917.db2.gz RFNNRCQTDXJQOK-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@@H]21 ZINC001087307749 738224849 /nfs/dbraw/zinc/22/48/49/738224849.db2.gz GJNVZXZVLYDWCQ-DAXOMENPSA-N 1 1 346.431 0.167 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2CCn2cccn2)nn1 ZINC001024699121 738229594 /nfs/dbraw/zinc/22/95/94/738229594.db2.gz OESAWDCOMISNFY-OAHLLOKOSA-N 1 1 343.435 0.945 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001024705054 738232614 /nfs/dbraw/zinc/23/26/14/738232614.db2.gz VHDRIUSGIDXWRX-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cccnn2)C1=O ZINC001024729427 738253296 /nfs/dbraw/zinc/25/32/96/738253296.db2.gz OCNJGSHENSVQEQ-HOCLYGCPSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cccnn2)C1=O ZINC001024729427 738253298 /nfs/dbraw/zinc/25/32/98/738253298.db2.gz OCNJGSHENSVQEQ-HOCLYGCPSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001024735999 738258406 /nfs/dbraw/zinc/25/84/06/738258406.db2.gz YZVCNGJHFGXTHD-CABCVRRESA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001024735999 738258408 /nfs/dbraw/zinc/25/84/08/738258408.db2.gz YZVCNGJHFGXTHD-CABCVRRESA-N 1 1 331.420 0.532 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC(N)=O)[C@H]3C2(C)C)cn1 ZINC001087314527 738263945 /nfs/dbraw/zinc/26/39/45/738263945.db2.gz MNTXOOYWZRPBJL-DJIMGWMZSA-N 1 1 340.427 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CC(N)=O)[C@H]3C2(C)C)cn1 ZINC001087314527 738263947 /nfs/dbraw/zinc/26/39/47/738263947.db2.gz MNTXOOYWZRPBJL-DJIMGWMZSA-N 1 1 340.427 0.767 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001024746289 738264196 /nfs/dbraw/zinc/26/41/96/738264196.db2.gz CPLBVLCJMDRLNE-HUUCEWRRSA-N 1 1 331.420 0.847 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001024746289 738264198 /nfs/dbraw/zinc/26/41/98/738264198.db2.gz CPLBVLCJMDRLNE-HUUCEWRRSA-N 1 1 331.420 0.847 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@H]21 ZINC001087318263 738289828 /nfs/dbraw/zinc/28/98/28/738289828.db2.gz UMUZZGRBSPQOON-KCXAZCMYSA-N 1 1 348.447 0.720 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001024902738 738383698 /nfs/dbraw/zinc/38/36/98/738383698.db2.gz ZJCQGGHEYKKCOJ-CHWSQXEVSA-N 1 1 332.408 0.439 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(N)=O)cc1 ZINC001028182966 751401469 /nfs/dbraw/zinc/40/14/69/751401469.db2.gz JGQAYVFKXAZMDB-DZGCQCFKSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(N)=O)cc1 ZINC001028182966 751401472 /nfs/dbraw/zinc/40/14/72/751401472.db2.gz JGQAYVFKXAZMDB-DZGCQCFKSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001025276181 738996865 /nfs/dbraw/zinc/99/68/65/738996865.db2.gz GVZKTNJMZRZSHX-HUUCEWRRSA-N 1 1 331.416 0.518 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001025296310 739015945 /nfs/dbraw/zinc/01/59/45/739015945.db2.gz JIJKUEMEEDEPAS-HUUCEWRRSA-N 1 1 348.447 0.912 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025297901 739019075 /nfs/dbraw/zinc/01/90/75/739019075.db2.gz RTJYNLKOHNBANE-CABCVRRESA-N 1 1 346.431 0.407 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC000973301830 739069197 /nfs/dbraw/zinc/06/91/97/739069197.db2.gz PTPPCLXAUWSVKB-DZKIICNBSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC000973301830 739069199 /nfs/dbraw/zinc/06/91/99/739069199.db2.gz PTPPCLXAUWSVKB-DZKIICNBSA-N 1 1 341.415 0.260 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)NC2CC2)nn1 ZINC001028187955 751419754 /nfs/dbraw/zinc/41/97/54/751419754.db2.gz RBFHEQVHGBYVFD-TZMCWYRMSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2CC2)nn1 ZINC001028187955 751419756 /nfs/dbraw/zinc/41/97/56/751419756.db2.gz RBFHEQVHGBYVFD-TZMCWYRMSA-N 1 1 346.435 0.325 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccnnc2C)C1 ZINC000973410358 739223504 /nfs/dbraw/zinc/22/35/04/739223504.db2.gz GPANRGSJXFHBII-DZKIICNBSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccnnc2C)C1 ZINC000973410358 739223506 /nfs/dbraw/zinc/22/35/06/739223506.db2.gz GPANRGSJXFHBII-DZKIICNBSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(CC)on2)C1 ZINC000973410387 739224334 /nfs/dbraw/zinc/22/43/34/739224334.db2.gz JTEABYIAFYZMGK-XEZPLFJOSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(CC)on2)C1 ZINC000973410387 739224336 /nfs/dbraw/zinc/22/43/36/739224336.db2.gz JTEABYIAFYZMGK-XEZPLFJOSA-N 1 1 344.415 0.712 20 30 ECEDMO C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C[C@H]1C ZINC001104620185 739229391 /nfs/dbraw/zinc/22/93/91/739229391.db2.gz ZGIBUAKDYDOFDJ-UNEWFSDZSA-N 1 1 347.463 0.717 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cncn2C)nn1 ZINC001028192810 751433534 /nfs/dbraw/zinc/43/35/34/751433534.db2.gz QSZNKVCGHBHLCS-CQSZACIVSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cncn2C)nn1 ZINC001028192810 751433538 /nfs/dbraw/zinc/43/35/38/751433538.db2.gz QSZNKVCGHBHLCS-CQSZACIVSA-N 1 1 343.435 0.982 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001025388182 739348442 /nfs/dbraw/zinc/34/84/42/739348442.db2.gz FFOWHWOCXNGKTO-STQMWFEESA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001025391519 739366550 /nfs/dbraw/zinc/36/65/50/739366550.db2.gz SEAQWHRHVVBQJZ-CHWSQXEVSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC000973624665 739600455 /nfs/dbraw/zinc/60/04/55/739600455.db2.gz IRUSMTRCMRQFCI-GSPSYOTPSA-N 1 1 339.386 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC000973624665 739600457 /nfs/dbraw/zinc/60/04/57/739600457.db2.gz IRUSMTRCMRQFCI-GSPSYOTPSA-N 1 1 339.386 0.987 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001025478460 739636494 /nfs/dbraw/zinc/63/64/94/739636494.db2.gz QFOCMCFSMBFOSG-CABCVRRESA-N 1 1 348.447 0.906 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001025489425 739651924 /nfs/dbraw/zinc/65/19/24/739651924.db2.gz PFPVETKYZUMHSU-OLZOCXBDSA-N 1 1 326.404 0.827 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3nnnc3c2)C1 ZINC001025505794 739668174 /nfs/dbraw/zinc/66/81/74/739668174.db2.gz KIGVXZVIKYWMET-HIFRSBDPSA-N 1 1 326.404 0.978 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2O)C1 ZINC001025540932 739701867 /nfs/dbraw/zinc/70/18/67/739701867.db2.gz GDCLGLCCUWVAHE-RBSFLKMASA-N 1 1 335.448 0.372 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025589371 739750650 /nfs/dbraw/zinc/75/06/50/739750650.db2.gz FLHBKNVTBYSUDK-ZIAGYGMSSA-N 1 1 346.431 0.962 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001025591784 739753451 /nfs/dbraw/zinc/75/34/51/739753451.db2.gz HSCMEHDUHBJOSA-NEPJUHHUSA-N 1 1 348.403 0.750 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCOC)C[C@H]1C(F)(F)F ZINC001112029137 739853506 /nfs/dbraw/zinc/85/35/06/739853506.db2.gz RRPWQBZAXZRIRZ-GHMZBOCLSA-N 1 1 337.342 0.304 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001025682830 739856438 /nfs/dbraw/zinc/85/64/38/739856438.db2.gz BZVNZPLSOOISEU-RBSFLKMASA-N 1 1 337.464 0.761 20 30 ECEDMO COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001025704724 739881120 /nfs/dbraw/zinc/88/11/20/739881120.db2.gz BCCYOBAREHGLAF-WKULXVSPSA-N 1 1 338.407 0.894 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCCO2)C1=O ZINC001025740559 739909513 /nfs/dbraw/zinc/90/95/13/739909513.db2.gz SCLGSOATEJIJMA-ZVDSWSACSA-N 1 1 333.432 0.389 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC000982029292 751497637 /nfs/dbraw/zinc/49/76/37/751497637.db2.gz WBKAEVLITLBNKI-HNNXBMFYSA-N 1 1 342.447 0.573 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)C[C@@H](C)COC)CC1 ZINC001098515961 751493819 /nfs/dbraw/zinc/49/38/19/751493819.db2.gz NLENJUWSNCWYKD-MRXNPFEDSA-N 1 1 340.464 0.594 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3csnn3)C[C@H]21 ZINC001025814088 739997115 /nfs/dbraw/zinc/99/71/15/739997115.db2.gz PGYQIUKKTGPOES-KLUNEYRZSA-N 1 1 345.472 0.743 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3csnn3)C[C@H]21 ZINC001025814088 739997120 /nfs/dbraw/zinc/99/71/20/739997120.db2.gz PGYQIUKKTGPOES-KLUNEYRZSA-N 1 1 345.472 0.743 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083287904 740292636 /nfs/dbraw/zinc/29/26/36/740292636.db2.gz DNPVLCVHUXYLGN-JKSUJKDBSA-N 1 1 329.400 0.426 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083287904 740292637 /nfs/dbraw/zinc/29/26/37/740292637.db2.gz DNPVLCVHUXYLGN-JKSUJKDBSA-N 1 1 329.400 0.426 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001026055143 740343122 /nfs/dbraw/zinc/34/31/22/740343122.db2.gz YGIARZZMYCCGFM-JIVNZTTRSA-N 1 1 333.432 0.291 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C2CC2)C1=O ZINC001026098519 740371911 /nfs/dbraw/zinc/37/19/11/740371911.db2.gz CWPADBOLEYDKKC-QROFKTNTSA-N 1 1 329.444 0.866 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C(F)(F)F ZINC001112045532 740427441 /nfs/dbraw/zinc/42/74/41/740427441.db2.gz AFZSGSLBGORGLU-HTQZYQBOSA-N 1 1 328.722 0.386 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CCC[N@@H+]([C@@H](C)C(N)=O)C3)nn1 ZINC000982061092 751543274 /nfs/dbraw/zinc/54/32/74/751543274.db2.gz KRYGZNTXGRCTKT-ZDUSSCGKSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H](C)C(N)=O)C3)nn1 ZINC000982061092 751543276 /nfs/dbraw/zinc/54/32/76/751543276.db2.gz KRYGZNTXGRCTKT-ZDUSSCGKSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CCN1CCCC2(CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC000982063793 751544409 /nfs/dbraw/zinc/54/44/09/751544409.db2.gz XOABHWSDCQXMCM-UHFFFAOYSA-N 1 1 329.448 0.616 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)nc3)[C@H]2C1 ZINC001083291322 740480409 /nfs/dbraw/zinc/48/04/09/740480409.db2.gz BBDMRQYZTKYAHY-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(OCC)cn3)[C@H]2C1 ZINC001083291925 740549407 /nfs/dbraw/zinc/54/94/07/740549407.db2.gz GAKIHJAPVXYEOM-LSDHHAIUSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(OCC)cn3)[C@H]2C1 ZINC001083291925 740549410 /nfs/dbraw/zinc/54/94/10/740549410.db2.gz GAKIHJAPVXYEOM-LSDHHAIUSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC000973943082 740639138 /nfs/dbraw/zinc/63/91/38/740639138.db2.gz XQFXVUMEGYYCLB-MJBXVCDLSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC000973943082 740639141 /nfs/dbraw/zinc/63/91/41/740639141.db2.gz XQFXVUMEGYYCLB-MJBXVCDLSA-N 1 1 346.456 0.926 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000973963380 740686618 /nfs/dbraw/zinc/68/66/18/740686618.db2.gz DWLKUNLPYWLSFX-VNHYZAJKSA-N 1 1 346.435 0.325 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000973989564 740736579 /nfs/dbraw/zinc/73/65/79/740736579.db2.gz QOZKPLVTNHTFCB-IXDOHACOSA-N 1 1 341.411 0.376 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000973989564 740736581 /nfs/dbraw/zinc/73/65/81/740736581.db2.gz QOZKPLVTNHTFCB-IXDOHACOSA-N 1 1 341.411 0.376 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000973998668 740747056 /nfs/dbraw/zinc/74/70/56/740747056.db2.gz JYRGUAQCBGHXIA-OWCLPIDISA-N 1 1 335.448 0.827 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000973998668 740747061 /nfs/dbraw/zinc/74/70/61/740747061.db2.gz JYRGUAQCBGHXIA-OWCLPIDISA-N 1 1 335.448 0.827 20 30 ECEDMO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001104862343 740749000 /nfs/dbraw/zinc/74/90/00/740749000.db2.gz JDHYSTQTRONOBW-KGLIPLIRSA-N 1 1 330.436 0.903 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)OC)C[C@H]1C(F)(F)F ZINC001112062411 740895480 /nfs/dbraw/zinc/89/54/80/740895480.db2.gz LAPAEJNKPRJRLB-QJPTWQEYSA-N 1 1 349.353 0.140 20 30 ECEDMO CC(C)C[C@@H](CNc1ccncc1C#N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104926615 740949608 /nfs/dbraw/zinc/94/96/08/740949608.db2.gz XBSZZUGYZSEUME-RDJZCZTQSA-N 1 1 345.447 0.649 20 30 ECEDMO CC(C)C[C@@H](CNc1ccncc1C#N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104926615 740949611 /nfs/dbraw/zinc/94/96/11/740949611.db2.gz XBSZZUGYZSEUME-RDJZCZTQSA-N 1 1 345.447 0.649 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC000974149835 741017490 /nfs/dbraw/zinc/01/74/90/741017490.db2.gz DMLJZHQPHTWMPD-IYBDPMFKSA-N 1 1 337.383 0.645 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)cn1 ZINC001087405096 741103482 /nfs/dbraw/zinc/10/34/82/741103482.db2.gz DHXFJPGKBAUYEW-HPBDAGMYSA-N 1 1 325.412 0.838 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000974263010 741192732 /nfs/dbraw/zinc/19/27/32/741192732.db2.gz JLLHQHKGIPLZTH-XHSDSOJGSA-N 1 1 343.431 0.053 20 30 ECEDMO N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001059857354 751614302 /nfs/dbraw/zinc/61/43/02/751614302.db2.gz ZUHFAMCPWKGKAB-QSJFSLAZSA-N 1 1 341.415 0.297 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001006645666 751616494 /nfs/dbraw/zinc/61/64/94/751616494.db2.gz QVMGNLSUJKRRSW-HZPDHXFCSA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001006645666 751616498 /nfs/dbraw/zinc/61/64/98/751616498.db2.gz QVMGNLSUJKRRSW-HZPDHXFCSA-N 1 1 344.415 0.301 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC000974344596 741358648 /nfs/dbraw/zinc/35/86/48/741358648.db2.gz DCCKTWYBZIZVQQ-ARLBYUKCSA-N 1 1 340.427 0.638 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C3CCOCC3)C2)nn1 ZINC001105133079 741405184 /nfs/dbraw/zinc/40/51/84/741405184.db2.gz NUQKUGFDFBRFFQ-UHFFFAOYSA-N 1 1 349.435 0.380 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC000982141926 751637563 /nfs/dbraw/zinc/63/75/63/751637563.db2.gz YRBGRLJCKGCNAM-UHFFFAOYSA-N 1 1 334.420 0.429 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@](C)(O)C3CC3)C2)nn1 ZINC001105216339 741488377 /nfs/dbraw/zinc/48/83/77/741488377.db2.gz SJHUSSQUUXHYLO-QGZVFWFLSA-N 1 1 333.436 0.878 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccn(CC)n3)C2)nn1 ZINC001105243754 741542719 /nfs/dbraw/zinc/54/27/19/741542719.db2.gz IIRGAGHGXFGRHX-UHFFFAOYSA-N 1 1 329.408 0.396 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H](Nc1ccnc(C#N)n1)C(C)C ZINC001105246084 741546468 /nfs/dbraw/zinc/54/64/68/741546468.db2.gz FDQOIBIYRXXIAT-ZDUSSCGKSA-N 1 1 327.392 0.528 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 ZINC000982136025 751649386 /nfs/dbraw/zinc/64/93/86/751649386.db2.gz YZHUPWXZRYZUEM-UHFFFAOYSA-N 1 1 333.436 0.391 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001105259499 741581118 /nfs/dbraw/zinc/58/11/18/741581118.db2.gz AYBFUUXOZTXOIO-UHFFFAOYSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4c([nH]3)CCOC4)C2)nn1 ZINC001105259632 741581494 /nfs/dbraw/zinc/58/14/94/741581494.db2.gz GLIFFRMFQZWPGN-UHFFFAOYSA-N 1 1 342.403 0.652 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)COCc3cc(C)no3)C2)nn1 ZINC001105268174 741609356 /nfs/dbraw/zinc/60/93/56/741609356.db2.gz CEIXZRVYCKJYQB-UHFFFAOYSA-N 1 1 346.391 0.450 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cccn4nccc34)C2)nn1 ZINC001105278459 741633650 /nfs/dbraw/zinc/63/36/50/741633650.db2.gz DPEDIULCXSWRFC-UHFFFAOYSA-N 1 1 337.387 0.899 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNc2ccnc(C#N)n2)C(C)(C)C)C1 ZINC001125934960 741638150 /nfs/dbraw/zinc/63/81/50/741638150.db2.gz ZOMSVWMAPNHQKW-OLZOCXBDSA-N 1 1 330.436 0.665 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)nn1 ZINC001105308714 741710932 /nfs/dbraw/zinc/71/09/32/741710932.db2.gz UQDKSKVSQFSJDR-FICVDOATSA-N 1 1 345.447 1.000 20 30 ECEDMO C=CCCCC(=O)N1CC(n2cc(C[NH2+]CCn3cncn3)nn2)C1 ZINC001105317197 741751801 /nfs/dbraw/zinc/75/18/01/741751801.db2.gz MZEXAHJMHNTDHI-UHFFFAOYSA-N 1 1 344.423 0.399 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cncnc3)C(C)(C)C2)C1=O ZINC000974493227 741806126 /nfs/dbraw/zinc/80/61/26/741806126.db2.gz TXHZOJGLNGUWHE-CABCVRRESA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cncnc3)C(C)(C)C2)C1=O ZINC000974493227 741806130 /nfs/dbraw/zinc/80/61/30/741806130.db2.gz TXHZOJGLNGUWHE-CABCVRRESA-N 1 1 343.431 0.704 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974578624 741911158 /nfs/dbraw/zinc/91/11/58/741911158.db2.gz RBKFPMMDMRPCRJ-OCCSQVGLSA-N 1 1 329.404 0.222 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cn(C)nn3)C(C)(C)C2)C1=O ZINC000974573336 741914218 /nfs/dbraw/zinc/91/42/18/741914218.db2.gz YICHZTQXZYOGIG-ZIAGYGMSSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cn(C)nn3)C(C)(C)C2)C1=O ZINC000974573336 741914219 /nfs/dbraw/zinc/91/42/19/741914219.db2.gz YICHZTQXZYOGIG-ZIAGYGMSSA-N 1 1 346.435 0.042 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000974602769 741925581 /nfs/dbraw/zinc/92/55/81/741925581.db2.gz XHIMVYVMQQBZPB-LBPRGKRZSA-N 1 1 334.424 0.170 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000982172649 751682009 /nfs/dbraw/zinc/68/20/09/751682009.db2.gz HJBHNKNPMLOSGB-UHFFFAOYSA-N 1 1 334.420 0.475 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001026865751 741990338 /nfs/dbraw/zinc/99/03/38/741990338.db2.gz KUUHMHJMVHEQNA-LLVKDONJSA-N 1 1 326.832 0.927 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC000974729429 742117686 /nfs/dbraw/zinc/11/76/86/742117686.db2.gz YLGIVLUVWPGSCO-HZPDHXFCSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974743996 742129387 /nfs/dbraw/zinc/12/93/87/742129387.db2.gz SMXVOKGNQMXDEI-OLZOCXBDSA-N 1 1 333.436 0.949 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C(C)(C)C1 ZINC000974884409 742295382 /nfs/dbraw/zinc/29/53/82/742295382.db2.gz XTJPTYIDOIXSBH-IKGGRYGDSA-N 1 1 349.475 0.326 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C(C)(C)C1 ZINC000974884409 742295385 /nfs/dbraw/zinc/29/53/85/742295385.db2.gz XTJPTYIDOIXSBH-IKGGRYGDSA-N 1 1 349.475 0.326 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974998187 742426859 /nfs/dbraw/zinc/42/68/59/742426859.db2.gz QVTONEJPKVPDBX-CHWSQXEVSA-N 1 1 347.444 0.628 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974998187 742426863 /nfs/dbraw/zinc/42/68/63/742426863.db2.gz QVTONEJPKVPDBX-CHWSQXEVSA-N 1 1 347.444 0.628 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000975107423 742489551 /nfs/dbraw/zinc/48/95/51/742489551.db2.gz ALZCGWMVABUTSP-UONOGXRCSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000975107423 742489552 /nfs/dbraw/zinc/48/95/52/742489552.db2.gz ALZCGWMVABUTSP-UONOGXRCSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000975116917 742498945 /nfs/dbraw/zinc/49/89/45/742498945.db2.gz BYOPMQCDWDVPLW-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000975116917 742498947 /nfs/dbraw/zinc/49/89/47/742498947.db2.gz BYOPMQCDWDVPLW-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CCN3CCCC3=O)C[C@]2(C)C1 ZINC000982233247 751737780 /nfs/dbraw/zinc/73/77/80/751737780.db2.gz LPVPLOLPZQXWII-JCGIZDLHSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000975267584 742676682 /nfs/dbraw/zinc/67/66/82/742676682.db2.gz XOTRPFGEYYRZMX-GJZGRUSLSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000975267584 742676683 /nfs/dbraw/zinc/67/66/83/742676683.db2.gz XOTRPFGEYYRZMX-GJZGRUSLSA-N 1 1 343.431 0.476 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001006748067 751761045 /nfs/dbraw/zinc/76/10/45/751761045.db2.gz BUXYLTZBHJGYCH-HUUCEWRRSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001006748067 751761050 /nfs/dbraw/zinc/76/10/50/751761050.db2.gz BUXYLTZBHJGYCH-HUUCEWRRSA-N 1 1 331.420 0.251 20 30 ECEDMO Cc1cc(N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)c(C#N)cn1 ZINC001058926938 751767228 /nfs/dbraw/zinc/76/72/28/751767228.db2.gz TVWRGYKMIMEJNV-INIZCTEOSA-N 1 1 343.431 0.419 20 30 ECEDMO C=CCC[NH+]1CCN(C2CCC(NC(=O)c3nnn(C)n3)CC2)CC1 ZINC000996788613 742866297 /nfs/dbraw/zinc/86/62/97/742866297.db2.gz ZOLIXYPBDKTRTI-UHFFFAOYSA-N 1 1 347.467 0.445 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261942682 742911384 /nfs/dbraw/zinc/91/13/84/742911384.db2.gz DVYCKDZWTKZLOW-BBWFWOEESA-N 1 1 345.495 0.341 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC001028935449 742914192 /nfs/dbraw/zinc/91/41/92/742914192.db2.gz DAKPNWQORYSYST-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)nc1 ZINC001028935591 742915996 /nfs/dbraw/zinc/91/59/96/742915996.db2.gz HNHCAKUCWAPCBN-CQSZACIVSA-N 1 1 335.429 0.159 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CCS(C)(=O)=O)C2)nc1 ZINC001028935591 742916000 /nfs/dbraw/zinc/91/60/00/742916000.db2.gz HNHCAKUCWAPCBN-CQSZACIVSA-N 1 1 335.429 0.159 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001028937130 742922085 /nfs/dbraw/zinc/92/20/85/742922085.db2.gz MQRRGWYTMSJVAM-CHWSQXEVSA-N 1 1 330.388 0.019 20 30 ECEDMO N#Cc1cc(C(=O)NCC[NH2+]Cc2nnc3n2CCCCC3)c[nH]1 ZINC001125988476 742936921 /nfs/dbraw/zinc/93/69/21/742936921.db2.gz XTVLNCNVEAFMAD-UHFFFAOYSA-N 1 1 327.392 0.724 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC001125998626 743178756 /nfs/dbraw/zinc/17/87/56/743178756.db2.gz RTGSBUNCQJDETH-UHFFFAOYSA-N 1 1 339.399 0.218 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997063105 743187445 /nfs/dbraw/zinc/18/74/45/743187445.db2.gz HDPBSWZLHDKHJE-LIUIWGJKSA-N 1 1 347.459 0.779 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001028231960 751802743 /nfs/dbraw/zinc/80/27/43/751802743.db2.gz ZKGWGXHSEGYPPP-LSDHHAIUSA-N 1 1 331.420 0.532 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nc1 ZINC000997090392 743219968 /nfs/dbraw/zinc/21/99/68/743219968.db2.gz OMMCMGSCGGVEQW-ZFWWWQNUSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001027234398 743246909 /nfs/dbraw/zinc/24/69/09/743246909.db2.gz VUUSZFMVRRJUFN-DOTOQJQBSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccccc2C#C)C1 ZINC000997244000 743400421 /nfs/dbraw/zinc/40/04/21/743400421.db2.gz DOTYQTBCCFGSSQ-IBGZPJMESA-N 1 1 349.434 0.635 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccccc2C#C)C1 ZINC000997244000 743400424 /nfs/dbraw/zinc/40/04/24/743400424.db2.gz DOTYQTBCCFGSSQ-IBGZPJMESA-N 1 1 349.434 0.635 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC(NCc3nncn3C)CC2)CC1 ZINC000997365055 743537235 /nfs/dbraw/zinc/53/72/35/743537235.db2.gz QWYQCDQXOVBVRY-UHFFFAOYSA-N 1 1 344.463 0.241 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001059170799 743543960 /nfs/dbraw/zinc/54/39/60/743543960.db2.gz RQBYFRWCAIOJIU-NQBHXWOUSA-N 1 1 335.433 0.713 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001059170799 743543968 /nfs/dbraw/zinc/54/39/68/743543968.db2.gz RQBYFRWCAIOJIU-NQBHXWOUSA-N 1 1 335.433 0.713 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnsn3)C2)C1=O ZINC001027315650 743631408 /nfs/dbraw/zinc/63/14/08/743631408.db2.gz BTFPMJNVXVPLSG-OCCSQVGLSA-N 1 1 349.460 0.861 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncoc1C ZINC000976237125 743721381 /nfs/dbraw/zinc/72/13/81/743721381.db2.gz WSYJEIRFHVDRCZ-KNCOVGOOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncoc1C ZINC000976237125 743721387 /nfs/dbraw/zinc/72/13/87/743721387.db2.gz WSYJEIRFHVDRCZ-KNCOVGOOSA-N 1 1 342.399 0.267 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000976273537 743751534 /nfs/dbraw/zinc/75/15/34/743751534.db2.gz NRCGSNPTEOLHST-LJISPDSOSA-N 1 1 327.388 0.167 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cocn3)C2)C1=O ZINC001027331023 743767533 /nfs/dbraw/zinc/76/75/33/743767533.db2.gz YNTKSMZMOWNPRX-DZGCQCFKSA-N 1 1 332.404 0.998 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000976289518 743791803 /nfs/dbraw/zinc/79/18/03/743791803.db2.gz ZQPTULKHGCOCLN-RDGWLKQMSA-N 1 1 333.432 0.245 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCOC1 ZINC000997770555 743800029 /nfs/dbraw/zinc/80/00/29/743800029.db2.gz ZYKSEXZLEJDKTG-NRKLIOEPSA-N 1 1 345.443 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCOC1 ZINC000997770555 743800034 /nfs/dbraw/zinc/80/00/34/743800034.db2.gz ZYKSEXZLEJDKTG-NRKLIOEPSA-N 1 1 345.443 0.369 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000976361975 743877835 /nfs/dbraw/zinc/87/78/35/743877835.db2.gz LCHPCXPGBMLXAF-CVGURMSBSA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(C(C)C)CC1 ZINC001058769789 743943883 /nfs/dbraw/zinc/94/38/83/743943883.db2.gz HQKYOKFHRIVTTL-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(C(C)C)CC1 ZINC001058769789 743943886 /nfs/dbraw/zinc/94/38/86/743943886.db2.gz HQKYOKFHRIVTTL-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000998153423 744010092 /nfs/dbraw/zinc/01/00/92/744010092.db2.gz DUBFBZCWBXHFDT-FVRSWCFKSA-N 1 1 346.431 0.311 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001027371891 744019620 /nfs/dbraw/zinc/01/96/20/744019620.db2.gz LFFKAPJIMUZHFS-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO C[N@@H+]([C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@@H]1CCCNC1=O ZINC001027375033 744032539 /nfs/dbraw/zinc/03/25/39/744032539.db2.gz MREYTOUEEKTWFI-HUUCEWRRSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000998193734 744042674 /nfs/dbraw/zinc/04/26/74/744042674.db2.gz BZVLUIMKQOLKLP-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000976607180 744115235 /nfs/dbraw/zinc/11/52/35/744115235.db2.gz RMPQVSXIEBTISN-LJISPDSOSA-N 1 1 335.448 0.492 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000976607180 744115237 /nfs/dbraw/zinc/11/52/37/744115237.db2.gz RMPQVSXIEBTISN-LJISPDSOSA-N 1 1 335.448 0.492 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000976604005 744128560 /nfs/dbraw/zinc/12/85/60/744128560.db2.gz GOYSENHWMRXXLS-POORBHPNSA-N 1 1 349.475 0.882 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000976604005 744128562 /nfs/dbraw/zinc/12/85/62/744128562.db2.gz GOYSENHWMRXXLS-POORBHPNSA-N 1 1 349.475 0.882 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001020604578 751891389 /nfs/dbraw/zinc/89/13/89/751891389.db2.gz DXUAVZMNIJZMAG-OXHZDVMGSA-N 1 1 332.408 0.336 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001006849575 751899635 /nfs/dbraw/zinc/89/96/35/751899635.db2.gz DVHBNQHFCHJJQP-HOTGVXAUSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001006849575 751899645 /nfs/dbraw/zinc/89/96/45/751899645.db2.gz DVHBNQHFCHJJQP-HOTGVXAUSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000998589632 744246031 /nfs/dbraw/zinc/24/60/31/744246031.db2.gz VQIZSMHGJBFSEZ-CABCVRRESA-N 1 1 345.447 0.953 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982299067 751910294 /nfs/dbraw/zinc/91/02/94/751910294.db2.gz UNUSPMKBVRLFSO-AFAVFJNCSA-N 1 1 334.420 0.331 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000998754292 744315823 /nfs/dbraw/zinc/31/58/23/744315823.db2.gz OKJGXHQQVBYMAU-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCOC1 ZINC000976785965 744321725 /nfs/dbraw/zinc/32/17/25/744321725.db2.gz WNXAOWJAJSUVFF-HZMVEIRTSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCOC1 ZINC000976785965 744321726 /nfs/dbraw/zinc/32/17/26/744321726.db2.gz WNXAOWJAJSUVFF-HZMVEIRTSA-N 1 1 347.459 0.664 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000976792686 744329674 /nfs/dbraw/zinc/32/96/74/744329674.db2.gz KSQZBCYSOLRXGZ-QXSJWSMHSA-N 1 1 341.415 0.557 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000998784890 744337392 /nfs/dbraw/zinc/33/73/92/744337392.db2.gz LBNKFMUTBHAKCM-GDVJOBBMSA-N 1 1 333.436 0.875 20 30 ECEDMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nncn1C ZINC000998960006 744431440 /nfs/dbraw/zinc/43/14/40/744431440.db2.gz CKQKEVAQAZAYTE-WCQYABFASA-N 1 1 327.392 0.970 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2cnn(C)n2)C1 ZINC001027446391 744485632 /nfs/dbraw/zinc/48/56/32/744485632.db2.gz ITJIJSIRSLTUBV-SJORKVTESA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2cnn(C)n2)C1 ZINC001027446391 744485635 /nfs/dbraw/zinc/48/56/35/744485635.db2.gz ITJIJSIRSLTUBV-SJORKVTESA-N 1 1 344.463 0.336 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001028250538 751924253 /nfs/dbraw/zinc/92/42/53/751924253.db2.gz GRENNRBAAIUEDG-STQMWFEESA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001028250538 751924256 /nfs/dbraw/zinc/92/42/56/751924256.db2.gz GRENNRBAAIUEDG-STQMWFEESA-N 1 1 332.404 0.714 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999195515 744560483 /nfs/dbraw/zinc/56/04/83/744560483.db2.gz RURJYTQTYFOOPT-BMFZPTHFSA-N 1 1 333.436 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000999285191 744601074 /nfs/dbraw/zinc/60/10/74/744601074.db2.gz ORFZGPVDHPAKEZ-SIXWZSSISA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000999285191 744601077 /nfs/dbraw/zinc/60/10/77/744601077.db2.gz ORFZGPVDHPAKEZ-SIXWZSSISA-N 1 1 329.444 0.991 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)c1 ZINC000999319690 744624123 /nfs/dbraw/zinc/62/41/23/744624123.db2.gz LVFJMUJVOAIOFU-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ncccn2)C1 ZINC000999391338 744671159 /nfs/dbraw/zinc/67/11/59/744671159.db2.gz KUFNQVQDQUHFDZ-HOTGVXAUSA-N 1 1 327.432 0.655 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ncccn2)C1 ZINC000999391338 744671160 /nfs/dbraw/zinc/67/11/60/744671160.db2.gz KUFNQVQDQUHFDZ-HOTGVXAUSA-N 1 1 327.432 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccc(F)cc2)C1 ZINC000999497822 744724377 /nfs/dbraw/zinc/72/43/77/744724377.db2.gz VAWNBVRTZRRZFH-KRWDZBQOSA-N 1 1 343.402 0.793 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccc(F)cc2)C1 ZINC000999497822 744724379 /nfs/dbraw/zinc/72/43/79/744724379.db2.gz VAWNBVRTZRRZFH-KRWDZBQOSA-N 1 1 343.402 0.793 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]32)c1 ZINC000977159231 744727209 /nfs/dbraw/zinc/72/72/09/744727209.db2.gz WMLGTTDLBGSWQO-TWMKSMIVSA-N 1 1 338.411 0.344 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001027511881 744895878 /nfs/dbraw/zinc/89/58/78/744895878.db2.gz WJBZJTYXWDOZLJ-ZDUSSCGKSA-N 1 1 332.404 0.685 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977430823 744987783 /nfs/dbraw/zinc/98/77/83/744987783.db2.gz AHTLWTLCZFDTEB-UKRRQHHQSA-N 1 1 331.420 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cocn1 ZINC000977469656 745057813 /nfs/dbraw/zinc/05/78/13/745057813.db2.gz ABVNWEZHDAUQRF-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cocn1 ZINC000977469656 745057819 /nfs/dbraw/zinc/05/78/19/745057819.db2.gz ABVNWEZHDAUQRF-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC000977470748 745060478 /nfs/dbraw/zinc/06/04/78/745060478.db2.gz BNLUMUDKCCUQRZ-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc[n+]([O-])cc3)nn2)C1 ZINC000999953087 745090910 /nfs/dbraw/zinc/09/09/10/745090910.db2.gz VLWFNSZWWZRIEA-MRXNPFEDSA-N 1 1 342.403 0.664 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000977495392 745096597 /nfs/dbraw/zinc/09/65/97/745096597.db2.gz ZBWWYSWGGWUCDX-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCOC3)nn2)C1 ZINC000999957620 745098466 /nfs/dbraw/zinc/09/84/66/745098466.db2.gz WFGSWELQLZKAPV-GDBMZVCRSA-N 1 1 331.420 0.591 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001167985388 745107556 /nfs/dbraw/zinc/10/75/56/745107556.db2.gz GNLVATJZHAXOHK-AWEZNQCLSA-N 1 1 348.451 0.446 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC(=O)N3CCC3)CC2(C)C)nc1 ZINC000977517953 745110130 /nfs/dbraw/zinc/11/01/30/745110130.db2.gz VSHQCEPQICSMSO-INIZCTEOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(=O)N3CCC3)CC2(C)C)nc1 ZINC000977517953 745110133 /nfs/dbraw/zinc/11/01/33/745110133.db2.gz VSHQCEPQICSMSO-INIZCTEOSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 ZINC000999965944 745111178 /nfs/dbraw/zinc/11/11/78/745111178.db2.gz KEKQOPVIZMXNHB-HNNXBMFYSA-N 1 1 329.408 0.765 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(CC)n[nH]3)nn2)C1 ZINC000999966845 745111937 /nfs/dbraw/zinc/11/19/37/745111937.db2.gz NUVAMIJCHGAGFC-AWEZNQCLSA-N 1 1 327.392 0.374 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)ncn3)nn2)C1 ZINC000999973598 745122655 /nfs/dbraw/zinc/12/26/55/745122655.db2.gz GSNQUIWHYPCODK-CQSZACIVSA-N 1 1 327.392 0.739 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCCO3)nn2)C1 ZINC000999973675 745122803 /nfs/dbraw/zinc/12/28/03/745122803.db2.gz HFJMYWBJSDLNJI-JKSUJKDBSA-N 1 1 331.420 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)CC2(C)C)cn1 ZINC000977511026 745129731 /nfs/dbraw/zinc/12/97/31/745129731.db2.gz HSHGSJHSRSVNBS-GJZGRUSLSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)cn1 ZINC000977511026 745129735 /nfs/dbraw/zinc/12/97/35/745129735.db2.gz HSHGSJHSRSVNBS-GJZGRUSLSA-N 1 1 328.416 0.767 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CCN(CC#N)C3)nn2)CC[N@H+]1C ZINC000999986753 745141210 /nfs/dbraw/zinc/14/12/10/745141210.db2.gz KHDXKLBQRWJXEB-OWCLPIDISA-N 1 1 345.451 0.395 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C(C)(C)C1 ZINC000977528805 745149005 /nfs/dbraw/zinc/14/90/05/745149005.db2.gz VYDDJTJCKDMJCC-AWEZNQCLSA-N 1 1 325.368 0.644 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C(C)(C)C1 ZINC000977528805 745149008 /nfs/dbraw/zinc/14/90/08/745149008.db2.gz VYDDJTJCKDMJCC-AWEZNQCLSA-N 1 1 325.368 0.644 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3COCCN3CC)nn2)C1 ZINC001000002063 745165233 /nfs/dbraw/zinc/16/52/33/745165233.db2.gz GSIRMBXZSZROEU-HZPDHXFCSA-N 1 1 348.451 0.048 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)C34CCC[NH+]3CCC4)nn2)C1 ZINC001000002632 745166673 /nfs/dbraw/zinc/16/66/73/745166673.db2.gz KTCFGRUGPCCFKI-MRXNPFEDSA-N 1 1 342.447 0.403 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC(=O)N3C)nn2)C1 ZINC001000011430 745179851 /nfs/dbraw/zinc/17/98/51/745179851.db2.gz VOPOLINBQXXLOZ-LSDHHAIUSA-N 1 1 346.435 0.338 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[C@H]3C(=O)N(C)C)nn2)C1 ZINC001000020143 745190285 /nfs/dbraw/zinc/19/02/85/745190285.db2.gz IYQWLBFBIFRTOQ-SOUVJXGZSA-N 1 1 346.435 0.051 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C4CC4)no3)nn2)C1 ZINC001000025377 745197025 /nfs/dbraw/zinc/19/70/25/745197025.db2.gz PCMXDGAVVNNKFQ-AWEZNQCLSA-N 1 1 340.387 0.954 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001000028407 745201401 /nfs/dbraw/zinc/20/14/01/745201401.db2.gz IXDOXWHZPJECLG-AWEZNQCLSA-N 1 1 327.392 0.821 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)C(C)(C)C1 ZINC000977579371 745204241 /nfs/dbraw/zinc/20/42/41/745204241.db2.gz RNKMXZGQFIJQRX-CYBMUJFWSA-N 1 1 326.404 0.517 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3nonc3C)nn2)C1 ZINC001000041400 745220658 /nfs/dbraw/zinc/22/06/58/745220658.db2.gz DKYHKIZCPOKHGI-ZDUSSCGKSA-N 1 1 331.380 0.722 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001000041536 745221207 /nfs/dbraw/zinc/22/12/07/745221207.db2.gz CJETVXWFPXJWKV-ZDUSSCGKSA-N 1 1 349.826 0.941 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001000041536 745221211 /nfs/dbraw/zinc/22/12/11/745221211.db2.gz CJETVXWFPXJWKV-ZDUSSCGKSA-N 1 1 349.826 0.941 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nonc3C)nn2)C1 ZINC001000041546 745221343 /nfs/dbraw/zinc/22/13/43/745221343.db2.gz FVOGEBAPLXZRAT-CYBMUJFWSA-N 1 1 329.364 0.170 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CN(CC)CCO3)nn2)C1 ZINC001000042785 745223217 /nfs/dbraw/zinc/22/32/17/745223217.db2.gz HJEJOPYZIDCDSZ-HZPDHXFCSA-N 1 1 348.451 0.048 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 ZINC001000043995 745224456 /nfs/dbraw/zinc/22/44/56/745224456.db2.gz SUULLBZRBUFYJD-JKSUJKDBSA-N 1 1 345.451 0.539 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000977595504 745231948 /nfs/dbraw/zinc/23/19/48/745231948.db2.gz CCOAYKAZIFQAFR-TZMCWYRMSA-N 1 1 329.404 0.511 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)c3cnn(C)c3)C2)nn1 ZINC001105384962 745259609 /nfs/dbraw/zinc/25/96/09/745259609.db2.gz QUOWGVXHPBTHPY-ZDUSSCGKSA-N 1 1 343.435 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2csc(C)n2)C1 ZINC001000124028 745280564 /nfs/dbraw/zinc/28/05/64/745280564.db2.gz BUMCBJWXXGBTLO-HNNXBMFYSA-N 1 1 346.456 0.419 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2csc(C)n2)C1 ZINC001000124028 745280568 /nfs/dbraw/zinc/28/05/68/745280568.db2.gz BUMCBJWXXGBTLO-HNNXBMFYSA-N 1 1 346.456 0.419 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([NH2+][C@H](C)c3nnnn3C)C2)c1 ZINC001000136225 745286060 /nfs/dbraw/zinc/28/60/60/745286060.db2.gz IMGDOXFDIICYNX-DOMZBBRYSA-N 1 1 339.403 0.542 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3nc(C)no3)C2)nn1 ZINC001020700089 751989603 /nfs/dbraw/zinc/98/96/03/751989603.db2.gz HXTSCBCIUOCHLZ-YUSALJHKSA-N 1 1 331.380 0.767 20 30 ECEDMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)NC1CCCC1 ZINC001075780643 745323741 /nfs/dbraw/zinc/32/37/41/745323741.db2.gz SGPNLKAHHSMMTM-DOTOQJQBSA-N 1 1 329.444 0.991 20 30 ECEDMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)NC1CCCC1 ZINC001075780643 745323751 /nfs/dbraw/zinc/32/37/51/745323751.db2.gz SGPNLKAHHSMMTM-DOTOQJQBSA-N 1 1 329.444 0.991 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CCCO3)CC2)C1=O ZINC001000413076 745482285 /nfs/dbraw/zinc/48/22/85/745482285.db2.gz QNMXZHAEBMWIOQ-HOTGVXAUSA-N 1 1 333.432 0.701 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(C(N)=O)cn3C)C[C@@]2(C)C1 ZINC000982344185 752009681 /nfs/dbraw/zinc/00/96/81/752009681.db2.gz VRDPALGMIMGFCU-HDICACEKSA-N 1 1 328.416 0.541 20 30 ECEDMO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)s1 ZINC001083414637 745546760 /nfs/dbraw/zinc/54/67/60/745546760.db2.gz NTUCUFKUMKSOOJ-KGLIPLIRSA-N 1 1 345.428 0.935 20 30 ECEDMO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)s1 ZINC001083414637 745546765 /nfs/dbraw/zinc/54/67/65/745546765.db2.gz NTUCUFKUMKSOOJ-KGLIPLIRSA-N 1 1 345.428 0.935 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000983965937 745594019 /nfs/dbraw/zinc/59/40/19/745594019.db2.gz MBHUQHCZQKRCGS-XHSDSOJGSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000983965937 745594022 /nfs/dbraw/zinc/59/40/22/745594022.db2.gz MBHUQHCZQKRCGS-XHSDSOJGSA-N 1 1 335.448 0.568 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([N@H+](C)[C@H]3CCCNC3=O)C2)c1 ZINC001027568463 745594021 /nfs/dbraw/zinc/59/40/21/745594021.db2.gz IWJOPJORKKQSFV-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@@H+](CCN3CCNC3=O)CC2)c1 ZINC001000557852 745594126 /nfs/dbraw/zinc/59/41/26/745594126.db2.gz DRUNQGLBLVNQJG-UHFFFAOYSA-N 1 1 342.403 0.273 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@@H+](CCN3CCNC3=O)CC2)[nH]1 ZINC001000594034 745623124 /nfs/dbraw/zinc/62/31/24/745623124.db2.gz IHCVVWHFNXDDCH-UHFFFAOYSA-N 1 1 342.403 0.273 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC001000600381 745626067 /nfs/dbraw/zinc/62/60/67/745626067.db2.gz WTQJDUYENACPRF-OAHLLOKOSA-N 1 1 327.388 0.479 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3ncc[nH]3)CC2)C1=O ZINC001000662384 745678769 /nfs/dbraw/zinc/67/87/69/745678769.db2.gz LOILOTIKBPBALZ-CQSZACIVSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(C)[nH]n1 ZINC000977933342 745690554 /nfs/dbraw/zinc/69/05/54/745690554.db2.gz ZAEFSGSQAQJKCL-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(C)n[nH]1 ZINC000977933342 745690558 /nfs/dbraw/zinc/69/05/58/745690558.db2.gz ZAEFSGSQAQJKCL-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(C)n[nH]1 ZINC000977933342 745690561 /nfs/dbraw/zinc/69/05/61/745690561.db2.gz ZAEFSGSQAQJKCL-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(C)[nH]n1 ZINC000977933342 745690566 /nfs/dbraw/zinc/69/05/66/745690566.db2.gz ZAEFSGSQAQJKCL-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(C)[nH]n1 ZINC000977933342 745690569 /nfs/dbraw/zinc/69/05/69/745690569.db2.gz ZAEFSGSQAQJKCL-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNc1cncc(C#N)n1 ZINC001111495031 745711022 /nfs/dbraw/zinc/71/10/22/745711022.db2.gz VWJLGFUOABNEMI-UHFFFAOYSA-N 1 1 334.424 0.313 20 30 ECEDMO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000984043278 745725867 /nfs/dbraw/zinc/72/58/67/745725867.db2.gz XYLNRFSGVQJXFH-AWEZNQCLSA-N 1 1 340.387 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cn(C)nn1 ZINC001029342291 745758385 /nfs/dbraw/zinc/75/83/85/745758385.db2.gz IAPHSUJWNQGMEN-BBWFWOEESA-N 1 1 342.447 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cn(C)nn1 ZINC001029342291 745758388 /nfs/dbraw/zinc/75/83/88/745758388.db2.gz IAPHSUJWNQGMEN-BBWFWOEESA-N 1 1 342.447 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](CC)C(N)=O ZINC001029342454 745759156 /nfs/dbraw/zinc/75/91/56/745759156.db2.gz PPFZMTJKJXQPGQ-QXSJWSMHSA-N 1 1 332.448 0.023 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](CC)C(N)=O ZINC001029342454 745759159 /nfs/dbraw/zinc/75/91/59/745759159.db2.gz PPFZMTJKJXQPGQ-QXSJWSMHSA-N 1 1 332.448 0.023 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nncs1 ZINC001029342594 745759213 /nfs/dbraw/zinc/75/92/13/745759213.db2.gz VXHCUXGNSAUAMG-ZNMIVQPWSA-N 1 1 345.472 0.811 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nncs1 ZINC001029342594 745759216 /nfs/dbraw/zinc/75/92/16/745759216.db2.gz VXHCUXGNSAUAMG-ZNMIVQPWSA-N 1 1 345.472 0.811 20 30 ECEDMO N#CCN1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001000776848 745759374 /nfs/dbraw/zinc/75/93/74/745759374.db2.gz LXXAYQJTOPSIHL-QGZVFWFLSA-N 1 1 332.448 0.902 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001000788632 745764549 /nfs/dbraw/zinc/76/45/49/745764549.db2.gz WMXLTYQFZADDQQ-RDJZCZTQSA-N 1 1 346.475 0.309 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC ZINC001028270751 752031371 /nfs/dbraw/zinc/03/13/71/752031371.db2.gz RQUMOAGKKDSVPD-UONOGXRCSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC ZINC001028270751 752031377 /nfs/dbraw/zinc/03/13/77/752031377.db2.gz RQUMOAGKKDSVPD-UONOGXRCSA-N 1 1 344.415 0.422 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001020727163 752034411 /nfs/dbraw/zinc/03/44/11/752034411.db2.gz AVNYOPWABAJUPP-YXWQFLTLSA-N 1 1 348.451 0.801 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001000859962 745833873 /nfs/dbraw/zinc/83/38/73/745833873.db2.gz SBDDXSCRGBVBIY-CQSZACIVSA-N 1 1 331.420 0.871 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H]2CCC[N@H+]2C)nc1 ZINC000978094500 745910377 /nfs/dbraw/zinc/91/03/77/745910377.db2.gz BSDSTUGWGYFBMG-NVXWUHKLSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC000978096659 745912822 /nfs/dbraw/zinc/91/28/22/745912822.db2.gz KRPMEXIXQGSITI-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001059338104 746014030 /nfs/dbraw/zinc/01/40/30/746014030.db2.gz XYPSMOXQBWJCOA-OAHLLOKOSA-N 1 1 334.420 0.749 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3coc(S(C)(=O)=O)c3)[C@@H]2C1 ZINC000978201114 746033750 /nfs/dbraw/zinc/03/37/50/746033750.db2.gz UPGBWAVLKWXXCX-ZSOGYDGISA-N 1 1 336.413 0.614 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001007031524 752054845 /nfs/dbraw/zinc/05/48/45/752054845.db2.gz WNOBDRPOIXMINJ-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001007031524 752054852 /nfs/dbraw/zinc/05/48/52/752054852.db2.gz WNOBDRPOIXMINJ-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cnc4c(c3)nnn4C)C[C@@]2(C)C1 ZINC000982366723 752055532 /nfs/dbraw/zinc/05/55/32/752055532.db2.gz VHZYHJMLJNOZGF-HDICACEKSA-N 1 1 338.415 0.781 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC000978247911 746079756 /nfs/dbraw/zinc/07/97/56/746079756.db2.gz RFMHLDNHUMNHDO-LUKYLMHMSA-N 1 1 349.475 0.742 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@H+]([C@@H](C)C(=O)NC)CC2)c1 ZINC001001128650 746098108 /nfs/dbraw/zinc/09/81/08/746098108.db2.gz NRAXFYACGRVWTK-ZDUSSCGKSA-N 1 1 326.400 0.559 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@@H+]([C@@H](C)C(=O)NC)CC2)c1 ZINC001001128650 746098111 /nfs/dbraw/zinc/09/81/11/746098111.db2.gz NRAXFYACGRVWTK-ZDUSSCGKSA-N 1 1 326.400 0.559 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001027601284 746101852 /nfs/dbraw/zinc/10/18/52/746101852.db2.gz XDYBHXDWDLTRMX-CQSZACIVSA-N 1 1 344.419 0.390 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC001001208525 746161610 /nfs/dbraw/zinc/16/16/10/746161610.db2.gz VWVDLBLDTHTMDC-INIZCTEOSA-N 1 1 326.400 0.345 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4c3NC(=O)CO4)[C@@H]2C1 ZINC000978291896 746162196 /nfs/dbraw/zinc/16/21/96/746162196.db2.gz AYUCXHPEHJJKJV-QKDCVEJESA-N 1 1 339.395 0.948 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)nn1 ZINC001027607589 746171831 /nfs/dbraw/zinc/17/18/31/746171831.db2.gz ZRTDSAPGCRGZGE-OCCSQVGLSA-N 1 1 334.424 0.264 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC000978401300 746290288 /nfs/dbraw/zinc/29/02/88/746290288.db2.gz CFXLUGDIOZWQAJ-XDQVBPFNSA-N 1 1 331.420 0.416 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC001001356924 746303939 /nfs/dbraw/zinc/30/39/39/746303939.db2.gz LGKVSOZEFKRXDF-BXUZGUMPSA-N 1 1 329.404 0.415 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC000978432838 746317020 /nfs/dbraw/zinc/31/70/20/746317020.db2.gz WTBACVUWUBFDSA-RTCCRHLQSA-N 1 1 325.390 0.021 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4sccn4c3=O)[C@@H]2C1 ZINC000978424519 746324943 /nfs/dbraw/zinc/32/49/43/746324943.db2.gz LUXQTNTWQWWZJX-UOJUARBOSA-N 1 1 328.397 0.297 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1CC ZINC001087784501 746336741 /nfs/dbraw/zinc/33/67/41/746336741.db2.gz IGXAYTWGYKALFU-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1CC ZINC001087795594 746360436 /nfs/dbraw/zinc/36/04/36/746360436.db2.gz MZVQBFQSSDVHSM-WCQYABFASA-N 1 1 330.392 0.576 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001001444502 746381558 /nfs/dbraw/zinc/38/15/58/746381558.db2.gz TUQTVSIYMIDCMS-UHFFFAOYSA-N 1 1 332.404 0.814 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H]1CC ZINC001087815649 746396031 /nfs/dbraw/zinc/39/60/31/746396031.db2.gz VYCGCGYTHYKYLI-ZNMIVQPWSA-N 1 1 343.855 0.955 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H]1CC ZINC001087815649 746396039 /nfs/dbraw/zinc/39/60/39/746396039.db2.gz VYCGCGYTHYKYLI-ZNMIVQPWSA-N 1 1 343.855 0.955 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC001001463436 746404673 /nfs/dbraw/zinc/40/46/73/746404673.db2.gz OXXDZHGGQLEKKG-JSGCOSHPSA-N 1 1 343.431 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)cc1 ZINC000978573506 746452075 /nfs/dbraw/zinc/45/20/75/746452075.db2.gz ONQKGEKFBVATMN-WCXIOVBPSA-N 1 1 325.412 0.839 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)cc1 ZINC000978586492 746474209 /nfs/dbraw/zinc/47/42/09/746474209.db2.gz WVSHSHSDEZYHEL-FJIDUMEYSA-N 1 1 337.423 0.854 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001027647740 746530706 /nfs/dbraw/zinc/53/07/06/746530706.db2.gz QRUKYQXSRGNIEJ-CQSZACIVSA-N 1 1 326.404 0.980 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)/C=C(/C)C3CC3)[C@H](OC)C2)C1=O ZINC001211954107 752099570 /nfs/dbraw/zinc/09/95/70/752099570.db2.gz HBJLDEPXXNCHLZ-BSIWFAQVSA-N 1 1 347.459 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)/C=C(/C)C3CC3)[C@H](OC)C2)C1=O ZINC001211954107 752099577 /nfs/dbraw/zinc/09/95/77/752099577.db2.gz HBJLDEPXXNCHLZ-BSIWFAQVSA-N 1 1 347.459 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001007117573 752103590 /nfs/dbraw/zinc/10/35/90/752103590.db2.gz ROHWNUHVCLJTFO-IRXDYDNUSA-N 1 1 342.443 0.992 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001007117573 752103595 /nfs/dbraw/zinc/10/35/95/752103595.db2.gz ROHWNUHVCLJTFO-IRXDYDNUSA-N 1 1 342.443 0.992 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001098518362 752104246 /nfs/dbraw/zinc/10/42/46/752104246.db2.gz MNSRLDNGKYTAJD-DLBZAZTESA-N 1 1 349.475 0.313 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)c1 ZINC000978704741 746605049 /nfs/dbraw/zinc/60/50/49/746605049.db2.gz YRUDRIHNBAITCO-PHZGNYQRSA-N 1 1 347.440 0.015 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)c1 ZINC000978704741 746605050 /nfs/dbraw/zinc/60/50/50/746605050.db2.gz YRUDRIHNBAITCO-PHZGNYQRSA-N 1 1 347.440 0.015 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c4n(c(=O)n3C)CCCC4)[C@@H]2C1 ZINC000978712820 746615546 /nfs/dbraw/zinc/61/55/46/746615546.db2.gz WVDFCOGBPJNFJK-ZSOGYDGISA-N 1 1 328.416 0.064 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978730401 746642832 /nfs/dbraw/zinc/64/28/32/746642832.db2.gz FABOSHABONGPNO-OSAQELSMSA-N 1 1 329.404 0.605 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001027671073 746717441 /nfs/dbraw/zinc/71/74/41/746717441.db2.gz RSSUNPZSSSSYRD-CYBMUJFWSA-N 1 1 336.436 0.816 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3nc(C)c[nH]3)C2)nn1 ZINC001105340609 746719516 /nfs/dbraw/zinc/71/95/16/746719516.db2.gz HKAUHORLMXQQEJ-UHFFFAOYSA-N 1 1 345.407 0.299 20 30 ECEDMO CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)CSCC#N ZINC001211886727 746742423 /nfs/dbraw/zinc/74/24/23/746742423.db2.gz VYIOHDBPKPXJFD-BZUAXINKSA-N 1 1 349.456 0.792 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)CSCC#N ZINC001211886727 746742427 /nfs/dbraw/zinc/74/24/27/746742427.db2.gz VYIOHDBPKPXJFD-BZUAXINKSA-N 1 1 349.456 0.792 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC000978824014 746752242 /nfs/dbraw/zinc/75/22/42/746752242.db2.gz KQTHWCFVAQTVEM-TUVASFSCSA-N 1 1 326.462 0.681 20 30 ECEDMO C=C(Br)C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001001840779 746762198 /nfs/dbraw/zinc/76/21/98/746762198.db2.gz ZAJKBBJPFNZHTM-NEPJUHHUSA-N 1 1 344.253 0.845 20 30 ECEDMO C=CCN1CC[C@@H](N(C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001027681701 746800256 /nfs/dbraw/zinc/80/02/56/746800256.db2.gz AWFOCZSSKYPBCW-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4ccnc4)nn3)[C@@H]2C1 ZINC000978869425 746820811 /nfs/dbraw/zinc/82/08/11/746820811.db2.gz XPMSCMKVCLJUPV-QKDCVEJESA-N 1 1 336.399 0.593 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978895535 746849730 /nfs/dbraw/zinc/84/97/30/746849730.db2.gz CDDNDUULBKJXQY-FPCVCCKLSA-N 1 1 345.447 0.798 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001001966471 746850364 /nfs/dbraw/zinc/85/03/64/746850364.db2.gz IBHPLIGVGUZIGB-HNNXBMFYSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001029480962 746896042 /nfs/dbraw/zinc/89/60/42/746896042.db2.gz SXBINUCEHBBOLJ-JKJDWNRSSA-N 1 1 333.432 0.531 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C2=COCCC2)C1 ZINC000978952388 746945720 /nfs/dbraw/zinc/94/57/20/746945720.db2.gz GLGIGFNQNYZRAM-UAGQMJEPSA-N 1 1 345.443 0.789 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C2=COCCC2)C1 ZINC000978952388 746945725 /nfs/dbraw/zinc/94/57/25/746945725.db2.gz GLGIGFNQNYZRAM-UAGQMJEPSA-N 1 1 345.443 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000978952584 746945919 /nfs/dbraw/zinc/94/59/19/746945919.db2.gz JUTGPHSIPKOKOZ-CFVMTHIKSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000978952584 746945921 /nfs/dbraw/zinc/94/59/21/746945921.db2.gz JUTGPHSIPKOKOZ-CFVMTHIKSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccncc2)C1 ZINC000978953242 746947500 /nfs/dbraw/zinc/94/75/00/746947500.db2.gz MESOPBFOXDOESI-UAGQMJEPSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccncc2)C1 ZINC000978953242 746947505 /nfs/dbraw/zinc/94/75/05/746947505.db2.gz MESOPBFOXDOESI-UAGQMJEPSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnns2)C1 ZINC000978953640 746948274 /nfs/dbraw/zinc/94/82/74/746948274.db2.gz OWYOCTXAYDJWBG-XQQFMLRXSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnns2)C1 ZINC000978953640 746948278 /nfs/dbraw/zinc/94/82/78/746948278.db2.gz OWYOCTXAYDJWBG-XQQFMLRXSA-N 1 1 347.444 0.260 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC001002086042 746962621 /nfs/dbraw/zinc/96/26/21/746962621.db2.gz ROEXXZDSOUGPRL-DMRZNYOFSA-N 1 1 341.415 0.842 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)cn1 ZINC000979008971 747039995 /nfs/dbraw/zinc/03/99/95/747039995.db2.gz UALSDOOSSGRKAD-LVQVYYBASA-N 1 1 326.400 0.234 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000984890704 747050020 /nfs/dbraw/zinc/05/00/20/747050020.db2.gz JUARUPBCCDKLQD-IJEWVQPXSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)C2CCOCC2)C1=O ZINC001027719803 747068900 /nfs/dbraw/zinc/06/89/00/747068900.db2.gz LLGWXIJVWCNZFP-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(C)no3)C2)nn1 ZINC000984906229 747089843 /nfs/dbraw/zinc/08/98/43/747089843.db2.gz CVUBYIFOQRKNCH-JOCQHMNTSA-N 1 1 345.407 0.844 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc4c3CC(=O)N4)C[C@@H]2C1 ZINC001088026960 747098032 /nfs/dbraw/zinc/09/80/32/747098032.db2.gz MMOKBRANUYLETC-KGLIPLIRSA-N 1 1 338.411 0.993 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)C(C)C)[C@@H]2C1 ZINC000979062888 747110873 /nfs/dbraw/zinc/11/08/73/747110873.db2.gz YZZBBIHPOHJVIG-NXOAAHMSSA-N 1 1 331.460 0.951 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CCCC)n3)[C@@H]2C1 ZINC000979082834 747147899 /nfs/dbraw/zinc/14/78/99/747147899.db2.gz IOKUVLSQOBCJKD-PHZGNYQRSA-N 1 1 342.443 0.974 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cncc(-n4ccnn4)c3)C[C@@H]2C1 ZINC001088052768 747159667 /nfs/dbraw/zinc/15/96/67/747159667.db2.gz HPXMOXFMSDAJLK-ZBFHGGJFSA-N 1 1 336.399 0.689 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@@H]2C1 ZINC001088066494 747189798 /nfs/dbraw/zinc/18/97/98/747189798.db2.gz MKDXDGWBGXXXIB-FRRDWIJNSA-N 1 1 326.828 0.543 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@@H]2C1 ZINC001088066494 747189802 /nfs/dbraw/zinc/18/98/02/747189802.db2.gz MKDXDGWBGXXXIB-FRRDWIJNSA-N 1 1 326.828 0.543 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)nn1 ZINC001029507966 747202006 /nfs/dbraw/zinc/20/20/06/747202006.db2.gz JZSVZWQCULLYNK-VNHYZAJKSA-N 1 1 344.419 0.032 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)nn1 ZINC001029507966 747202009 /nfs/dbraw/zinc/20/20/09/747202009.db2.gz JZSVZWQCULLYNK-VNHYZAJKSA-N 1 1 344.419 0.032 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnc(C)cn2)C1=O ZINC001027733233 747204992 /nfs/dbraw/zinc/20/49/92/747204992.db2.gz WZYRCSTYJPVADZ-GOEBONIOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnc(C)cn2)C1=O ZINC001027733233 747204996 /nfs/dbraw/zinc/20/49/96/747204996.db2.gz WZYRCSTYJPVADZ-GOEBONIOSA-N 1 1 343.431 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccn2)C1 ZINC000979173276 747314568 /nfs/dbraw/zinc/31/45/68/747314568.db2.gz MUIODVDOLAEGNU-ZNMIVQPWSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccn2)C1 ZINC000979173276 747314572 /nfs/dbraw/zinc/31/45/72/747314572.db2.gz MUIODVDOLAEGNU-ZNMIVQPWSA-N 1 1 341.415 0.199 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001007199454 752182727 /nfs/dbraw/zinc/18/27/27/752182727.db2.gz NEHWTTFPSKYYLP-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001007199454 752182730 /nfs/dbraw/zinc/18/27/30/752182730.db2.gz NEHWTTFPSKYYLP-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1ncc[nH]1 ZINC001002473784 747402660 /nfs/dbraw/zinc/40/26/60/747402660.db2.gz QJXUFQWVDZYKQK-GJZGRUSLSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1ncc[nH]1 ZINC001002473784 747402663 /nfs/dbraw/zinc/40/26/63/747402663.db2.gz QJXUFQWVDZYKQK-GJZGRUSLSA-N 1 1 343.431 0.570 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C)no2)C1=O ZINC001027751997 747408504 /nfs/dbraw/zinc/40/85/04/747408504.db2.gz SHZVZYFMURVRAZ-KBPBESRZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C)no2)C1=O ZINC001027751997 747408505 /nfs/dbraw/zinc/40/85/05/747408505.db2.gz SHZVZYFMURVRAZ-KBPBESRZSA-N 1 1 332.404 0.964 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C#CC2CC2)O1 ZINC001002488347 747423452 /nfs/dbraw/zinc/42/34/52/747423452.db2.gz MWJYPNDBTGTGRM-HYVNUMGLSA-N 1 1 347.459 0.568 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C#CC2CC2)O1 ZINC001002488347 747423455 /nfs/dbraw/zinc/42/34/55/747423455.db2.gz MWJYPNDBTGTGRM-HYVNUMGLSA-N 1 1 347.459 0.568 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n(C)c3=O)C[C@@H]2C1 ZINC001088127753 747452655 /nfs/dbraw/zinc/45/26/55/747452655.db2.gz MCOMNVVHTKVBHB-KGLIPLIRSA-N 1 1 346.431 0.054 20 30 ECEDMO Cc1nnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)[nH]1 ZINC000979269655 747474425 /nfs/dbraw/zinc/47/44/25/747474425.db2.gz MHJNMICWVCRQFF-QMTHXVAHSA-N 1 1 343.391 0.332 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979304905 747572628 /nfs/dbraw/zinc/57/26/28/747572628.db2.gz CDHZRYDJGLITKF-VIRABCJISA-N 1 1 343.431 0.709 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H](C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979326755 747618102 /nfs/dbraw/zinc/61/81/02/747618102.db2.gz DYVYJQIQEYDWOX-UKRRQHHQSA-N 1 1 346.435 0.373 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnnn1C1CC1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979339697 747641227 /nfs/dbraw/zinc/64/12/27/747641227.db2.gz VMMNJESNUKQSCD-DOMZBBRYSA-N 1 1 344.419 0.127 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979340836 747643127 /nfs/dbraw/zinc/64/31/27/747643127.db2.gz WWJVHIQGVUTIAV-BBRMVZONSA-N 1 1 331.420 0.417 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccnn2C)C1=O ZINC001027782966 747644115 /nfs/dbraw/zinc/64/41/15/747644115.db2.gz RSJNCJILLITDSR-ZFWWWQNUSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccnn2C)C1=O ZINC001027782966 747644119 /nfs/dbraw/zinc/64/41/19/747644119.db2.gz RSJNCJILLITDSR-ZFWWWQNUSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]2C1 ZINC001088177590 747683178 /nfs/dbraw/zinc/68/31/78/747683178.db2.gz HQHPDALWRXXELA-CVEARBPZSA-N 1 1 330.432 0.908 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088183816 747694641 /nfs/dbraw/zinc/69/46/41/747694641.db2.gz XVTSJXGEQHOVFX-SJORKVTESA-N 1 1 325.412 0.476 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@@H]2C1 ZINC001088187104 747705341 /nfs/dbraw/zinc/70/53/41/747705341.db2.gz HCCRBZLDAQGOHX-IKGGRYGDSA-N 1 1 335.448 0.590 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]Cc3nnnn3C)C2)CC1 ZINC000979367461 747713429 /nfs/dbraw/zinc/71/34/29/747713429.db2.gz GATHTTFEZFAMQD-DZGCQCFKSA-N 1 1 348.451 0.662 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001088226222 747772739 /nfs/dbraw/zinc/77/27/39/747772739.db2.gz JEEHKORICTZOCM-INIZCTEOSA-N 1 1 346.435 0.026 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001088226223 747773010 /nfs/dbraw/zinc/77/30/10/747773010.db2.gz JEEHKORICTZOCM-MRXNPFEDSA-N 1 1 346.435 0.026 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC(CO[C@@H]3CC[N@H+](CCO)C3)CC2)c1 ZINC001088231792 747793254 /nfs/dbraw/zinc/79/32/54/747793254.db2.gz ARGXRHNVOHOJMX-MRXNPFEDSA-N 1 1 346.431 0.822 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cnnn3CC)CC2)C1 ZINC001088233803 747804869 /nfs/dbraw/zinc/80/48/69/747804869.db2.gz ZXPRWKUSHOLDAD-INIZCTEOSA-N 1 1 345.447 0.874 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001088235467 747817722 /nfs/dbraw/zinc/81/77/22/747817722.db2.gz SHLVSIZHLDJERR-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC001088235526 747818118 /nfs/dbraw/zinc/81/81/18/747818118.db2.gz UWCHUWYBDDERHB-QFBILLFUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=C(C)OCCC2)C1 ZINC001002829453 747845519 /nfs/dbraw/zinc/84/55/19/747845519.db2.gz LWMUKYXLMIJMPX-KRWDZBQOSA-N 1 1 345.443 0.743 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=C(C)OCCC2)C1 ZINC001002829453 747845528 /nfs/dbraw/zinc/84/55/28/747845528.db2.gz LWMUKYXLMIJMPX-KRWDZBQOSA-N 1 1 345.443 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ncoc2CC)C1 ZINC001002830061 747846742 /nfs/dbraw/zinc/84/67/42/747846742.db2.gz QDZACBJZLBJRGB-AWEZNQCLSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ncoc2CC)C1 ZINC001002830061 747846754 /nfs/dbraw/zinc/84/67/54/747846754.db2.gz QDZACBJZLBJRGB-AWEZNQCLSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccn(C)c2C)C1 ZINC001002835115 747856545 /nfs/dbraw/zinc/85/65/45/747856545.db2.gz KTOKNGFNQUMRBR-KRWDZBQOSA-N 1 1 342.443 0.619 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccn(C)c2C)C1 ZINC001002835115 747856550 /nfs/dbraw/zinc/85/65/50/747856550.db2.gz KTOKNGFNQUMRBR-KRWDZBQOSA-N 1 1 342.443 0.619 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CCc3cn[nH]n3)CC2)C1 ZINC001088238597 747862268 /nfs/dbraw/zinc/86/22/68/747862268.db2.gz XWXJHOAQGAMODZ-KRWDZBQOSA-N 1 1 345.447 0.700 20 30 ECEDMO C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001088238597 747862277 /nfs/dbraw/zinc/86/22/77/747862277.db2.gz XWXJHOAQGAMODZ-KRWDZBQOSA-N 1 1 345.447 0.700 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001088238597 747862288 /nfs/dbraw/zinc/86/22/88/747862288.db2.gz XWXJHOAQGAMODZ-KRWDZBQOSA-N 1 1 345.447 0.700 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000988500936 752219146 /nfs/dbraw/zinc/21/91/46/752219146.db2.gz LPWMBQMCFQJIAG-ZYHUDNBSSA-N 1 1 340.391 0.601 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001027804414 747914516 /nfs/dbraw/zinc/91/45/16/747914516.db2.gz AMWFNKJQOSAOPO-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)C3CCOCC3)C2)C1=O ZINC001029623157 747915426 /nfs/dbraw/zinc/91/54/26/747915426.db2.gz JPNGANFQHSXINK-RDJZCZTQSA-N 1 1 349.475 0.980 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001002929576 747972581 /nfs/dbraw/zinc/97/25/81/747972581.db2.gz FWWAWEIKPXCHJD-QWHCGFSZSA-N 1 1 347.419 0.959 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001007258372 752229996 /nfs/dbraw/zinc/22/99/96/752229996.db2.gz IXHSENMIQIYIIZ-GJZGRUSLSA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001007258372 752229998 /nfs/dbraw/zinc/22/99/98/752229998.db2.gz IXHSENMIQIYIIZ-GJZGRUSLSA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCCC2=O)c1 ZINC001027814316 747993017 /nfs/dbraw/zinc/99/30/17/747993017.db2.gz LOUGBQQRLMVKPB-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027813464 748005577 /nfs/dbraw/zinc/00/55/77/748005577.db2.gz UFLSKIYGDPAONI-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cccn2)c1 ZINC001027813755 748010478 /nfs/dbraw/zinc/01/04/78/748010478.db2.gz AHXXRDCUFZXSOQ-HUUCEWRRSA-N 1 1 342.403 0.338 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CCN2C(=O)CCC2=O)c1 ZINC001027813758 748010911 /nfs/dbraw/zinc/01/09/11/748010911.db2.gz AIEGUISUGNLGTL-ZDUSSCGKSA-N 1 1 343.387 0.230 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)c3cn(C)cn3)C2)C1=O ZINC001029703349 748101198 /nfs/dbraw/zinc/10/11/98/748101198.db2.gz CSVQAPOIFGNAQL-ZBFHGGJFSA-N 1 1 345.447 0.601 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC000979614145 748122325 /nfs/dbraw/zinc/12/23/25/748122325.db2.gz IMZQROMMXQFZIK-KKUMJFAQSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979654690 748165073 /nfs/dbraw/zinc/16/50/73/748165073.db2.gz DTGSXQYKJJLILH-YDHLFZDLSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979664304 748183763 /nfs/dbraw/zinc/18/37/63/748183763.db2.gz IKIGMRFLXACICI-UMVBOHGHSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001075855994 748184588 /nfs/dbraw/zinc/18/45/88/748184588.db2.gz YWDYXWDWAMNPFS-HRCADAONSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001027825507 748196476 /nfs/dbraw/zinc/19/64/76/748196476.db2.gz BMRJFCWHQBFJPQ-DZGCQCFKSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001027825507 748196478 /nfs/dbraw/zinc/19/64/78/748196478.db2.gz BMRJFCWHQBFJPQ-DZGCQCFKSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC001003157543 748241225 /nfs/dbraw/zinc/24/12/25/748241225.db2.gz AYBPWHWTCCEIMJ-DLBZAZTESA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC001003157543 748241234 /nfs/dbraw/zinc/24/12/34/748241234.db2.gz AYBPWHWTCCEIMJ-DLBZAZTESA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC000982455270 752254349 /nfs/dbraw/zinc/25/43/49/752254349.db2.gz WAKWDBPLGODQQD-HOTGVXAUSA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC000982455270 752254352 /nfs/dbraw/zinc/25/43/52/752254352.db2.gz WAKWDBPLGODQQD-HOTGVXAUSA-N 1 1 342.443 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027831709 748287278 /nfs/dbraw/zinc/28/72/78/748287278.db2.gz UBFDKJXQIAAQKF-HOCLYGCPSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027831709 748287282 /nfs/dbraw/zinc/28/72/82/748287282.db2.gz UBFDKJXQIAAQKF-HOCLYGCPSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCCS3(=O)=O)C[C@@H]2C1 ZINC000979777494 748375725 /nfs/dbraw/zinc/37/57/25/748375725.db2.gz SCSQUGMBNZABMP-ZNMIVQPWSA-N 1 1 341.477 0.425 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027836739 748406055 /nfs/dbraw/zinc/40/60/55/748406055.db2.gz WYMDXPWVPFSXPZ-LSDHHAIUSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027836739 748406062 /nfs/dbraw/zinc/40/60/62/748406062.db2.gz WYMDXPWVPFSXPZ-LSDHHAIUSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(OC)no2)C1=O ZINC001027838105 748423913 /nfs/dbraw/zinc/42/39/13/748423913.db2.gz MMSZHQKHAUOUII-QWHCGFSZSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(OC)no2)C1=O ZINC001027838105 748423917 /nfs/dbraw/zinc/42/39/17/748423917.db2.gz MMSZHQKHAUOUII-QWHCGFSZSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)C2=CCOCC2)C1=O ZINC001027841271 748452305 /nfs/dbraw/zinc/45/23/05/748452305.db2.gz ZXZJRXNYGLKCHF-HOTGVXAUSA-N 1 1 333.432 0.701 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccccc3C#N)C2)n1 ZINC001029806578 748503702 /nfs/dbraw/zinc/50/37/02/748503702.db2.gz NMVIXIDUJOLISS-CYBMUJFWSA-N 1 1 339.403 0.676 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCNC3=O)CC2)cc1F ZINC001003429585 748545968 /nfs/dbraw/zinc/54/59/68/748545968.db2.gz SDLWFQGQYYSJOO-HNNXBMFYSA-N 1 1 344.390 0.914 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007319424 752286798 /nfs/dbraw/zinc/28/67/98/752286798.db2.gz HXFZHNJTJRVEHV-UONOGXRCSA-N 1 1 331.420 0.919 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC000979980304 748757485 /nfs/dbraw/zinc/75/74/85/748757485.db2.gz MHJHCKQQFDYTRC-JYJNAYRXSA-N 1 1 334.464 0.163 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2conc2C)C1 ZINC000979967255 748759150 /nfs/dbraw/zinc/75/91/50/748759150.db2.gz JWHZSUQJOWRUPQ-DZKIICNBSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2conc2C)C1 ZINC000979967255 748759154 /nfs/dbraw/zinc/75/91/54/748759154.db2.gz JWHZSUQJOWRUPQ-DZKIICNBSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCO1 ZINC001003676716 748786334 /nfs/dbraw/zinc/78/63/34/748786334.db2.gz KYWXQHBHZVDEFY-UHDSXZAQSA-N 1 1 345.443 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCO1 ZINC001003676716 748786338 /nfs/dbraw/zinc/78/63/38/748786338.db2.gz KYWXQHBHZVDEFY-UHDSXZAQSA-N 1 1 345.443 0.511 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001059610742 748797689 /nfs/dbraw/zinc/79/76/89/748797689.db2.gz LGYBPGPFEHBANH-QGZVFWFLSA-N 1 1 349.475 0.723 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)O1 ZINC001003704400 748815076 /nfs/dbraw/zinc/81/50/76/748815076.db2.gz TXQDDEFMHZAGDL-FYNNLBNCSA-N 1 1 345.443 0.367 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)O1 ZINC001003704400 748815080 /nfs/dbraw/zinc/81/50/80/748815080.db2.gz TXQDDEFMHZAGDL-FYNNLBNCSA-N 1 1 345.443 0.367 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000980023744 748841368 /nfs/dbraw/zinc/84/13/68/748841368.db2.gz ZONZNTZEEDSYRH-XNRPHZJLSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC[NH+](CC(=O)N(C)C3CC3)CC2)nn1 ZINC001003754925 748863545 /nfs/dbraw/zinc/86/35/45/748863545.db2.gz KUIIDLGXWSLLQU-UHFFFAOYSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCOc1ccc(C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)cc1 ZINC001003757805 748865440 /nfs/dbraw/zinc/86/54/40/748865440.db2.gz VJMGBMDFPRXBJG-KRWDZBQOSA-N 1 1 341.411 0.781 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)CCn3cncn3)CC2)nc1 ZINC000985756640 749019498 /nfs/dbraw/zinc/01/94/98/749019498.db2.gz HOGXEYILIBKPJF-UHFFFAOYSA-N 1 1 338.415 0.891 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(N)=O)cn3C)C[C@@H]2C1 ZINC000980143966 749060452 /nfs/dbraw/zinc/06/04/52/749060452.db2.gz QVPWAIKABMRVLI-GUTXKFCHSA-N 1 1 328.416 0.588 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059648446 749114262 /nfs/dbraw/zinc/11/42/62/749114262.db2.gz SPGDJIHLNGPJRG-BRWVUGGUSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 ZINC000980181243 749117531 /nfs/dbraw/zinc/11/75/31/749117531.db2.gz CKBWSFKVVXHWRD-CFVMTHIKSA-N 1 1 331.416 0.279 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC000980181580 749117728 /nfs/dbraw/zinc/11/77/28/749117728.db2.gz FHJNQPQNVINYHU-AEGPPILISA-N 1 1 333.432 0.832 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@H]3C2)nn1 ZINC000980185534 749135603 /nfs/dbraw/zinc/13/56/03/749135603.db2.gz WFOOBIZWOKLMPC-MGPQQGTHSA-N 1 1 346.435 0.170 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C#N)c(C)n1 ZINC001126254360 749142667 /nfs/dbraw/zinc/14/26/67/749142667.db2.gz GKLGJLRNGZQKTQ-MRXNPFEDSA-N 1 1 345.447 0.925 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001004074265 749184099 /nfs/dbraw/zinc/18/40/99/749184099.db2.gz HCNBYAFLABIMIU-CQSZACIVSA-N 1 1 329.828 0.567 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC3(C)C)CC2)CC1 ZINC000985827818 749188429 /nfs/dbraw/zinc/18/84/29/749188429.db2.gz CBTLPDYFQZHHSJ-INIZCTEOSA-N 1 1 346.475 0.938 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]2C1 ZINC000980201956 749194115 /nfs/dbraw/zinc/19/41/15/749194115.db2.gz BWUYLSJZJRHBQT-NWANDNLSSA-N 1 1 328.416 0.967 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980203057 749196167 /nfs/dbraw/zinc/19/61/67/749196167.db2.gz DWQRPAFOQFRQCK-BFHYXJOUSA-N 1 1 344.415 0.589 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC000980223512 749204602 /nfs/dbraw/zinc/20/46/02/749204602.db2.gz WJIXHOKIZKXHMW-IHRRRGAJSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC000980248753 749237589 /nfs/dbraw/zinc/23/75/89/749237589.db2.gz VSNCDDOFUFWRDN-KKUMJFAQSA-N 1 1 346.431 0.120 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)C[C@H]2C1 ZINC000980240879 749245688 /nfs/dbraw/zinc/24/56/88/749245688.db2.gz HBDBSALZNYEBFE-QEJZJMRPSA-N 1 1 328.416 0.967 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(OC)ncnc3OC)C[C@H]2C1 ZINC000980243581 749249003 /nfs/dbraw/zinc/24/90/03/749249003.db2.gz BNOOORYHZAXSSH-IHRRRGAJSA-N 1 1 344.415 0.957 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(C(N)=O)n3)C[C@H]2C1 ZINC000980243789 749249903 /nfs/dbraw/zinc/24/99/03/749249903.db2.gz IGVLUZUAWASLOI-MELADBBJSA-N 1 1 326.400 0.644 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC000980252741 749258340 /nfs/dbraw/zinc/25/83/40/749258340.db2.gz LERFMOLUELXJMR-IHRRRGAJSA-N 1 1 346.431 0.892 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C(N)=O)nc3)C[C@@H]2C1 ZINC000980272063 749265937 /nfs/dbraw/zinc/26/59/37/749265937.db2.gz FOSCZVUQWJFRGH-ZNMIVQPWSA-N 1 1 326.400 0.644 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNc2ccnc(C#N)n2)C1 ZINC001114946319 749273873 /nfs/dbraw/zinc/27/38/73/749273873.db2.gz ISXKRLJDHZQGTD-UONOGXRCSA-N 1 1 346.435 0.188 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNc2ccnc(C#N)n2)C1 ZINC001114946319 749273878 /nfs/dbraw/zinc/27/38/78/749273878.db2.gz ISXKRLJDHZQGTD-UONOGXRCSA-N 1 1 346.435 0.188 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC000980293811 749317530 /nfs/dbraw/zinc/31/75/30/749317530.db2.gz LSDRCBTZYXIENC-KBPBESRZSA-N 1 1 329.828 0.519 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC000980293811 749317532 /nfs/dbraw/zinc/31/75/32/749317532.db2.gz LSDRCBTZYXIENC-KBPBESRZSA-N 1 1 329.828 0.519 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000980348839 749406471 /nfs/dbraw/zinc/40/64/71/749406471.db2.gz CTFMVTZSBVISLT-NSHDSACASA-N 1 1 328.800 0.166 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000980348839 749406474 /nfs/dbraw/zinc/40/64/74/749406474.db2.gz CTFMVTZSBVISLT-NSHDSACASA-N 1 1 328.800 0.166 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004460444 749528383 /nfs/dbraw/zinc/52/83/83/749528383.db2.gz ZHKNEHRDIWLJOH-SJORKVTESA-N 1 1 346.475 0.272 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC001004467788 749535668 /nfs/dbraw/zinc/53/56/68/749535668.db2.gz DHSHUFCBRUETLS-HIFRSBDPSA-N 1 1 326.462 0.756 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001004535705 749602780 /nfs/dbraw/zinc/60/27/80/749602780.db2.gz KUTNTGPNERINPN-IMJJTQAJSA-N 1 1 335.448 0.494 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000986184171 749650892 /nfs/dbraw/zinc/65/08/92/749650892.db2.gz LTDDHOOFGUOERB-AAEUAGOBSA-N 1 1 342.407 0.847 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001004583947 749655748 /nfs/dbraw/zinc/65/57/48/749655748.db2.gz RSRFNLDSORUBHE-OAHLLOKOSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cnsn1 ZINC001027942247 749664774 /nfs/dbraw/zinc/66/47/74/749664774.db2.gz ATAKUQSTNIISRS-GJZGRUSLSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cnsn1 ZINC001027942247 749664779 /nfs/dbraw/zinc/66/47/79/749664779.db2.gz ATAKUQSTNIISRS-GJZGRUSLSA-N 1 1 333.461 0.716 20 30 ECEDMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000980511974 749677051 /nfs/dbraw/zinc/67/70/51/749677051.db2.gz IXESKJUGBPZZMI-QWRGUYRKSA-N 1 1 328.380 0.050 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004638337 749718431 /nfs/dbraw/zinc/71/84/31/749718431.db2.gz ZVVMJIVYNLLRIH-HUUCEWRRSA-N 1 1 331.416 0.375 20 30 ECEDMO C[C@@H]1[C@H]([NH2+]Cc2nnc3n2CCOC3)CCN1C(=O)C#CC1CC1 ZINC000986277142 749745534 /nfs/dbraw/zinc/74/55/34/749745534.db2.gz ISFPXXRLCPFRBU-TZMCWYRMSA-N 1 1 329.404 0.301 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC000986399014 749885866 /nfs/dbraw/zinc/88/58/66/749885866.db2.gz NABDYODMSGTRSC-OAGGEKHMSA-N 1 1 348.447 0.175 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088494401 749978381 /nfs/dbraw/zinc/97/83/81/749978381.db2.gz YLPXTAGGPNLVPZ-UHOFOFEASA-N 1 1 326.400 0.916 20 30 ECEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc3n(c1=O)CCCC3)C2 ZINC001098170182 749987181 /nfs/dbraw/zinc/98/71/81/749987181.db2.gz KHDFCIHKRPYEKM-MCIONIFRSA-N 1 1 331.420 0.289 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)C[C@H]2C)nn1 ZINC000980715376 750009142 /nfs/dbraw/zinc/00/91/42/750009142.db2.gz BNNGEDRBCYCJFL-VXGBXAGGSA-N 1 1 347.448 0.956 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)C#CC2CC2)CC1)[C@H]1CCC(=O)NC1=O ZINC001029964870 750118131 /nfs/dbraw/zinc/11/81/31/750118131.db2.gz DNQHUYVDMIEURI-HNNXBMFYSA-N 1 1 331.416 0.375 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)C[C@H]2C)nc1 ZINC000980768319 750123419 /nfs/dbraw/zinc/12/34/19/750123419.db2.gz SZIWSHQBEXCYQY-TZMCWYRMSA-N 1 1 339.403 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)COC)CC1 ZINC000986728244 750288375 /nfs/dbraw/zinc/28/83/75/750288375.db2.gz ICDZETXVMRLRGG-ZBFHGGJFSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)COC)CC1 ZINC000986728244 750288379 /nfs/dbraw/zinc/28/83/79/750288379.db2.gz ICDZETXVMRLRGG-ZBFHGGJFSA-N 1 1 335.448 0.474 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058857091 750351068 /nfs/dbraw/zinc/35/10/68/750351068.db2.gz KATJTXOYSRPSGO-GXTWGEPZSA-N 1 1 330.392 0.000 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058857091 750351076 /nfs/dbraw/zinc/35/10/76/750351076.db2.gz KATJTXOYSRPSGO-GXTWGEPZSA-N 1 1 330.392 0.000 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[N@H+](C[C@@H](O)Cn3cccn3)CC2)[nH]1 ZINC000980978973 750416631 /nfs/dbraw/zinc/41/66/31/750416631.db2.gz GPHDXSADPPAQBA-OAHLLOKOSA-N 1 1 342.403 0.292 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cncnc3)[C@H]2C)C1=O ZINC001088545163 750487713 /nfs/dbraw/zinc/48/77/13/750487713.db2.gz RAKXYNGXECWJTI-VNQPRFMTSA-N 1 1 343.431 0.385 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)NC1=O ZINC001028076273 750542734 /nfs/dbraw/zinc/54/27/34/750542734.db2.gz KRRGLYZEFOCPKX-HOTGVXAUSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)NC1=O ZINC001028076273 750542736 /nfs/dbraw/zinc/54/27/36/750542736.db2.gz KRRGLYZEFOCPKX-HOTGVXAUSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)[nH]3)[C@@H]2C)nn1 ZINC000987171594 750545250 /nfs/dbraw/zinc/54/52/50/750545250.db2.gz XGJVBSSEWYPRNZ-AAEUAGOBSA-N 1 1 344.423 0.674 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cnns2)C1 ZINC001005745046 750584452 /nfs/dbraw/zinc/58/44/52/750584452.db2.gz KPCAWAVNCKIANR-YPMHNXCESA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cnns2)C1 ZINC001005745046 750584455 /nfs/dbraw/zinc/58/44/55/750584455.db2.gz KPCAWAVNCKIANR-YPMHNXCESA-N 1 1 347.444 0.212 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c(C)cnn2C)C1=O ZINC001028083137 750594318 /nfs/dbraw/zinc/59/43/18/750594318.db2.gz QBPQOLFXJAVSKD-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c(C)cnn2C)C1=O ZINC001028083137 750594321 /nfs/dbraw/zinc/59/43/21/750594321.db2.gz QBPQOLFXJAVSKD-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](CCc2ccnn2C)CC1 ZINC000981361469 750625637 /nfs/dbraw/zinc/62/56/37/750625637.db2.gz OLBJMUOEKBSYMJ-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cncn2C)CC1 ZINC000981361535 750625702 /nfs/dbraw/zinc/62/57/02/750625702.db2.gz RLXDAGZRKWDXBA-KRWDZBQOSA-N 1 1 329.448 0.552 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cncn2C)CC1 ZINC000981361535 750625705 /nfs/dbraw/zinc/62/57/05/750625705.db2.gz RLXDAGZRKWDXBA-KRWDZBQOSA-N 1 1 329.448 0.552 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001059790766 750685109 /nfs/dbraw/zinc/68/51/09/750685109.db2.gz ITQZQJYKGILIJK-KFWWJZLASA-N 1 1 342.447 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000981549018 750793748 /nfs/dbraw/zinc/79/37/48/750793748.db2.gz DQVKHHKHUJCBSE-VVLHAWIVSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000981549018 750793752 /nfs/dbraw/zinc/79/37/52/750793752.db2.gz DQVKHHKHUJCBSE-VVLHAWIVSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)[C@@H]2CCCO2)C1 ZINC001005928738 750812376 /nfs/dbraw/zinc/81/23/76/750812376.db2.gz KQBYOJGWOVCGDL-BPUTZDHNSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)[C@@H]2CCCO2)C1 ZINC001005928738 750812382 /nfs/dbraw/zinc/81/23/82/750812382.db2.gz KQBYOJGWOVCGDL-BPUTZDHNSA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001005938815 750821236 /nfs/dbraw/zinc/82/12/36/750821236.db2.gz MZMNPIXDXBGVON-LBPRGKRZSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC000981669771 750949100 /nfs/dbraw/zinc/94/91/00/750949100.db2.gz WMFRADYRSRXDDS-KBPBESRZSA-N 1 1 328.420 0.849 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](CC(=O)NC1CCOCC1)C2 ZINC000981670448 750950656 /nfs/dbraw/zinc/95/06/56/750950656.db2.gz XFKIBTFFIHHSCR-CQSZACIVSA-N 1 1 348.447 0.366 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)NC1CCOCC1)C2 ZINC000981670448 750950658 /nfs/dbraw/zinc/95/06/58/750950658.db2.gz XFKIBTFFIHHSCR-CQSZACIVSA-N 1 1 348.447 0.366 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CCn3cncn3)[C@@H]2C)CC1 ZINC000987567630 750969800 /nfs/dbraw/zinc/96/98/00/750969800.db2.gz FTORQFCKXOCGAV-RDJZCZTQSA-N 1 1 344.463 0.202 20 30 ECEDMO C=CCC[N@H+]1CCCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000981720640 751011215 /nfs/dbraw/zinc/01/12/15/751011215.db2.gz JXQRJOUZKFWYBO-UHFFFAOYSA-N 1 1 329.404 0.606 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001006108151 751022223 /nfs/dbraw/zinc/02/22/23/751022223.db2.gz IDMSAJFDLJBUKG-WFASDCNBSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[N@@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000981754927 751059345 /nfs/dbraw/zinc/05/93/45/751059345.db2.gz UOBJRPPKAHCGJK-UHFFFAOYSA-N 1 1 336.436 0.675 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CCC[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC000981758367 751080294 /nfs/dbraw/zinc/08/02/94/751080294.db2.gz NFKHCNVVOCHKJY-QGZVFWFLSA-N 1 1 342.443 0.582 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc[nH]c2)C1 ZINC001006313417 751232175 /nfs/dbraw/zinc/23/21/75/751232175.db2.gz GGCGVJQPLSCGSB-BBRMVZONSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc[nH]c2)C1 ZINC001006313417 751232176 /nfs/dbraw/zinc/23/21/76/751232176.db2.gz GGCGVJQPLSCGSB-BBRMVZONSA-N 1 1 328.416 0.689 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H](OC)C(C)C)CC2)C1=O ZINC000981877639 751236918 /nfs/dbraw/zinc/23/69/18/751236918.db2.gz JUZQDIKPHTVKDG-JKSUJKDBSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H](OC)C(C)C)CC2)C1=O ZINC000981877639 751236922 /nfs/dbraw/zinc/23/69/22/751236922.db2.gz JUZQDIKPHTVKDG-JKSUJKDBSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901158 751256929 /nfs/dbraw/zinc/25/69/29/751256929.db2.gz CKSIZOFQZUCWDC-GNZRSQJKSA-N 1 1 343.471 0.797 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)CC2)c1 ZINC000981922902 751270263 /nfs/dbraw/zinc/27/02/63/751270263.db2.gz CYADAADJYDGURC-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@@H]3CCCN(C)C3=O)CC2)c1 ZINC000981922902 751270268 /nfs/dbraw/zinc/27/02/68/751270268.db2.gz CYADAADJYDGURC-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CCCS3(=O)=O)C2)C1 ZINC000981914264 751273039 /nfs/dbraw/zinc/27/30/39/751273039.db2.gz FPQITCAFSKYQIN-OAHLLOKOSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CCCS3(=O)=O)C2)C1 ZINC000981914264 751273043 /nfs/dbraw/zinc/27/30/43/751273043.db2.gz FPQITCAFSKYQIN-OAHLLOKOSA-N 1 1 338.473 0.901 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)Cn3nc4ccccn4c3=O)C2)C1 ZINC000981924638 751278070 /nfs/dbraw/zinc/27/80/70/751278070.db2.gz XYDKMMHEBOGIJJ-UHFFFAOYSA-N 1 1 341.415 0.606 20 30 ECEDMO COCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1OC ZINC001211743612 752326642 /nfs/dbraw/zinc/32/66/42/752326642.db2.gz IIYVOAUQORPUFN-NVXWUHKLSA-N 1 1 347.415 0.919 20 30 ECEDMO COCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1OC ZINC001211743612 752326650 /nfs/dbraw/zinc/32/66/50/752326650.db2.gz IIYVOAUQORPUFN-NVXWUHKLSA-N 1 1 347.415 0.919 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001020945661 752372337 /nfs/dbraw/zinc/37/23/37/752372337.db2.gz PTVMEXYCKCKKDT-JOCQHMNTSA-N 1 1 340.387 0.273 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988619090 752386043 /nfs/dbraw/zinc/38/60/43/752386043.db2.gz FMCXHGSHJMBACA-GWCFXTLKSA-N 1 1 340.391 0.601 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001212029678 752426806 /nfs/dbraw/zinc/42/68/06/752426806.db2.gz BPHJNTGSWLSHHL-HZPDHXFCSA-N 1 1 347.415 0.304 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1OC ZINC001212029678 752426815 /nfs/dbraw/zinc/42/68/15/752426815.db2.gz BPHJNTGSWLSHHL-HZPDHXFCSA-N 1 1 347.415 0.304 20 30 ECEDMO COCCN(CCNC(=O)C[N@@H+](C)C(C)C)c1ccnc(C#N)n1 ZINC001126360609 752436911 /nfs/dbraw/zinc/43/69/11/752436911.db2.gz MQHNUYYZMLLUOQ-UHFFFAOYSA-N 1 1 334.424 0.257 20 30 ECEDMO COCCOCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212045811 752439806 /nfs/dbraw/zinc/43/98/06/752439806.db2.gz WVKFICYVMLFOHV-IAGOWNOFSA-N 1 1 347.415 0.537 20 30 ECEDMO COCCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212045811 752439807 /nfs/dbraw/zinc/43/98/07/752439807.db2.gz WVKFICYVMLFOHV-IAGOWNOFSA-N 1 1 347.415 0.537 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CCC)NC(N)=O)C2)nn1 ZINC001105366251 752462310 /nfs/dbraw/zinc/46/23/10/752462310.db2.gz DUGKWDUGWWQJNC-CQSZACIVSA-N 1 1 349.439 0.164 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnn(CC)n2)C1 ZINC001007519287 752475776 /nfs/dbraw/zinc/47/57/76/752475776.db2.gz NHIWJNHOOAJSDZ-WBVHZDCISA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnn(CC)n2)C1 ZINC001007519287 752475781 /nfs/dbraw/zinc/47/57/81/752475781.db2.gz NHIWJNHOOAJSDZ-WBVHZDCISA-N 1 1 344.463 0.476 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000937755607 752504222 /nfs/dbraw/zinc/50/42/22/752504222.db2.gz HZNABXACDPVSNN-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nnn(C)c3C)C2)nn1 ZINC001098644505 752520985 /nfs/dbraw/zinc/52/09/85/752520985.db2.gz CDCGHJXYDWZLSG-ZDUSSCGKSA-N 1 1 330.396 0.078 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001028389994 752538863 /nfs/dbraw/zinc/53/88/63/752538863.db2.gz KNTNTNSQUGQBEJ-OCCSQVGLSA-N 1 1 345.403 0.021 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3COCCO3)C2)s1 ZINC001028420569 752591880 /nfs/dbraw/zinc/59/18/80/752591880.db2.gz MFWQBZQGOUQHIP-SWLSCSKDSA-N 1 1 335.429 0.973 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C)nn3C)C2)C1=O ZINC001028433905 752629014 /nfs/dbraw/zinc/62/90/14/752629014.db2.gz YUUOKOKQZSRICE-GJZGRUSLSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001028429238 752634948 /nfs/dbraw/zinc/63/49/48/752634948.db2.gz JRWGBHVLKRUGDQ-HIFRSBDPSA-N 1 1 331.420 0.557 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000938029578 752672785 /nfs/dbraw/zinc/67/27/85/752672785.db2.gz FVWUTNBOHIKCNR-ZOBUZTSGSA-N 1 1 346.431 0.890 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001075920206 752682181 /nfs/dbraw/zinc/68/21/81/752682181.db2.gz VBHSTQGGDIIORV-KBPBESRZSA-N 1 1 334.420 0.974 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001007668751 752749620 /nfs/dbraw/zinc/74/96/20/752749620.db2.gz QKWFJWSYAMSKRV-KBXCAEBGSA-N 1 1 348.447 0.460 20 30 ECEDMO Cn1cc(CC[N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001028467342 752759900 /nfs/dbraw/zinc/75/99/00/752759900.db2.gz ASBSGSKKGBAJAT-ZDUSSCGKSA-N 1 1 326.404 0.914 20 30 ECEDMO COc1cncc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028486419 752822184 /nfs/dbraw/zinc/82/21/84/752822184.db2.gz FNJOXPRYIPMHHK-LBPRGKRZSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1cncc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028486419 752822189 /nfs/dbraw/zinc/82/21/89/752822189.db2.gz FNJOXPRYIPMHHK-LBPRGKRZSA-N 1 1 340.387 0.937 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)[nH]1 ZINC001028487165 752832570 /nfs/dbraw/zinc/83/25/70/752832570.db2.gz RMDZBMHXHZLSLY-ZIAGYGMSSA-N 1 1 343.431 0.854 20 30 ECEDMO COc1cncc(C[N@@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028491792 752836692 /nfs/dbraw/zinc/83/66/92/752836692.db2.gz LSZOEMHKHUBCDA-LBPRGKRZSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1cncc(C[N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028491792 752836695 /nfs/dbraw/zinc/83/66/95/752836695.db2.gz LSZOEMHKHUBCDA-LBPRGKRZSA-N 1 1 340.387 0.937 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000982547442 752862123 /nfs/dbraw/zinc/86/21/23/752862123.db2.gz PNPPXVCHQCJOPY-ZFWWWQNUSA-N 1 1 346.435 0.137 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000982547741 752863131 /nfs/dbraw/zinc/86/31/31/752863131.db2.gz QEBALMVGGMLLAT-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nc2C)[C@@H](O)C1 ZINC001083460602 752885883 /nfs/dbraw/zinc/88/58/83/752885883.db2.gz PHIJIYQTPUAVAI-BMFZPTHFSA-N 1 1 334.420 0.504 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nc2C)[C@@H](O)C1 ZINC001083460602 752885888 /nfs/dbraw/zinc/88/58/88/752885888.db2.gz PHIJIYQTPUAVAI-BMFZPTHFSA-N 1 1 334.420 0.504 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001059931262 752899689 /nfs/dbraw/zinc/89/96/89/752899689.db2.gz OQFKIKSVUZJERB-KGLIPLIRSA-N 1 1 328.420 0.633 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000989047940 753176045 /nfs/dbraw/zinc/17/60/45/753176045.db2.gz ARFLFQCFMVXFLS-NFAWXSAZSA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000982647112 753205992 /nfs/dbraw/zinc/20/59/92/753205992.db2.gz HASIRGLHADOWMK-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000982648535 753210328 /nfs/dbraw/zinc/21/03/28/753210328.db2.gz OHMJOCXMHZFDJO-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@]2(C)C1 ZINC000982678925 753284330 /nfs/dbraw/zinc/28/43/30/753284330.db2.gz IZCPUTGBXAFKBF-HDICACEKSA-N 1 1 328.416 0.921 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001051495470 762208869 /nfs/dbraw/zinc/20/88/69/762208869.db2.gz VCQNXCOLVNLTKB-YPMHNXCESA-N 1 1 332.408 0.169 20 30 ECEDMO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CCNC1=O ZINC001008179018 753428742 /nfs/dbraw/zinc/42/87/42/753428742.db2.gz SXESACUYPRJWRS-IRXDYDNUSA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCNC1=O ZINC001008179018 753428743 /nfs/dbraw/zinc/42/87/43/753428743.db2.gz SXESACUYPRJWRS-IRXDYDNUSA-N 1 1 325.412 0.755 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnns2)[C@@H]1C ZINC001088631441 753431342 /nfs/dbraw/zinc/43/13/42/753431342.db2.gz LAAWXVCEBIJFIZ-SNPRPXQTSA-N 1 1 333.461 0.715 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnns2)[C@@H]1C ZINC001088631441 753431347 /nfs/dbraw/zinc/43/13/47/753431347.db2.gz LAAWXVCEBIJFIZ-SNPRPXQTSA-N 1 1 333.461 0.715 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 ZINC001098680910 753605128 /nfs/dbraw/zinc/60/51/28/753605128.db2.gz LHRNGNDDYJVFEV-JKSUJKDBSA-N 1 1 345.451 0.539 20 30 ECEDMO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c1 ZINC001083358931 753669815 /nfs/dbraw/zinc/66/98/15/753669815.db2.gz HPELDAOVMXMUQD-SJORKVTESA-N 1 1 339.399 0.425 20 30 ECEDMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c1 ZINC001083358931 753669818 /nfs/dbraw/zinc/66/98/18/753669818.db2.gz HPELDAOVMXMUQD-SJORKVTESA-N 1 1 339.399 0.425 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCn3cccn3)C2)nn1 ZINC001105374018 753744826 /nfs/dbraw/zinc/74/48/26/753744826.db2.gz BDCLAIHBJJGGTB-UHFFFAOYSA-N 1 1 329.408 0.614 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(C(N)=O)c3)C2)nn1 ZINC001105374386 753751874 /nfs/dbraw/zinc/75/18/74/753751874.db2.gz XTBJOJIEMRLZOA-UHFFFAOYSA-N 1 1 343.391 0.068 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)CCN(C)c1nc(C)cc(C#N)n1 ZINC001105505185 753763841 /nfs/dbraw/zinc/76/38/41/753763841.db2.gz XFCLNEWGEGLGLF-UHFFFAOYSA-N 1 1 327.392 0.756 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001008466120 753769532 /nfs/dbraw/zinc/76/95/32/753769532.db2.gz VGRTUAKNSIRUOH-CQSZACIVSA-N 1 1 348.447 0.865 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC001008467269 753769826 /nfs/dbraw/zinc/76/98/26/753769826.db2.gz CMKJIMQACORBAI-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC001008467269 753769835 /nfs/dbraw/zinc/76/98/35/753769835.db2.gz CMKJIMQACORBAI-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583171 753864151 /nfs/dbraw/zinc/86/41/51/753864151.db2.gz LNBPMAACRQQGEH-CVEARBPZSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001028601595 753882080 /nfs/dbraw/zinc/88/20/80/753882080.db2.gz QWKUDHJWISVPOH-WBVHZDCISA-N 1 1 329.448 0.456 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001028601721 753882582 /nfs/dbraw/zinc/88/25/82/753882582.db2.gz UEFSREZMCYYIMF-RDJZCZTQSA-N 1 1 329.448 0.456 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001008546689 753897686 /nfs/dbraw/zinc/89/76/86/753897686.db2.gz KTGLDGBSUMLEMA-XHSDSOJGSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001008546689 753897692 /nfs/dbraw/zinc/89/76/92/753897692.db2.gz KTGLDGBSUMLEMA-XHSDSOJGSA-N 1 1 326.400 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001028603905 753902007 /nfs/dbraw/zinc/90/20/07/753902007.db2.gz LJEBSRPGECEGAU-UAGQMJEPSA-N 1 1 330.432 0.959 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3c(C)ncn3C)C2)C1=O ZINC001028609778 753914469 /nfs/dbraw/zinc/91/44/69/753914469.db2.gz URCMSUYFASSDIB-CABCVRRESA-N 1 1 345.447 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1nc(C)cc(OC)n1 ZINC001105599069 753965602 /nfs/dbraw/zinc/96/56/02/753965602.db2.gz FWRCJFHOEVZXGB-HNNXBMFYSA-N 1 1 345.447 0.786 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1nc(C)cc(OC)n1 ZINC001105599069 753965604 /nfs/dbraw/zinc/96/56/04/753965604.db2.gz FWRCJFHOEVZXGB-HNNXBMFYSA-N 1 1 345.447 0.786 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001008671717 754007884 /nfs/dbraw/zinc/00/78/84/754007884.db2.gz OFSPAXRKFKPFTP-DZGCQCFKSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001008671717 754007892 /nfs/dbraw/zinc/00/78/92/754007892.db2.gz OFSPAXRKFKPFTP-DZGCQCFKSA-N 1 1 331.420 0.320 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000982864936 754029862 /nfs/dbraw/zinc/02/98/62/754029862.db2.gz UWFOOZKGGLLHDF-HRCADAONSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000982864936 754029868 /nfs/dbraw/zinc/02/98/68/754029868.db2.gz UWFOOZKGGLLHDF-HRCADAONSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001008711993 754036619 /nfs/dbraw/zinc/03/66/19/754036619.db2.gz VHUFPGGXVRTKMD-JKSUJKDBSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001008711993 754036626 /nfs/dbraw/zinc/03/66/26/754036626.db2.gz VHUFPGGXVRTKMD-JKSUJKDBSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nccc(C)n3)C[C@H]2C)nn1 ZINC000989535415 754077997 /nfs/dbraw/zinc/07/79/97/754077997.db2.gz AYSANOSBZCAYHG-KGLIPLIRSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001008755672 754079710 /nfs/dbraw/zinc/07/97/10/754079710.db2.gz TVTURNLOPOJXKQ-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001008755672 754079713 /nfs/dbraw/zinc/07/97/13/754079713.db2.gz TVTURNLOPOJXKQ-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CCc3cnn(C)c3)C2)nn1 ZINC001008795148 754126359 /nfs/dbraw/zinc/12/63/59/754126359.db2.gz PWZVLBVRLPWCSP-OAHLLOKOSA-N 1 1 343.435 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000982921218 754199902 /nfs/dbraw/zinc/19/99/02/754199902.db2.gz HFSGLNNDFMTFGL-HRCADAONSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000982921218 754199907 /nfs/dbraw/zinc/19/99/07/754199907.db2.gz HFSGLNNDFMTFGL-HRCADAONSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2conc2C)C1 ZINC000982923564 754206905 /nfs/dbraw/zinc/20/69/05/754206905.db2.gz QJBHGRXWFRAIRZ-HOCLYGCPSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2conc2C)C1 ZINC000982923564 754206908 /nfs/dbraw/zinc/20/69/08/754206908.db2.gz QJBHGRXWFRAIRZ-HOCLYGCPSA-N 1 1 344.415 0.659 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989661004 754268840 /nfs/dbraw/zinc/26/88/40/754268840.db2.gz FDTDHHOFMAIIND-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1 ZINC001008972008 754374539 /nfs/dbraw/zinc/37/45/39/754374539.db2.gz GRJHGIXFTIWLNE-MPESAESLSA-N 1 1 341.415 0.272 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNc1snc(Cl)c1C#N ZINC001105869336 762304043 /nfs/dbraw/zinc/30/40/43/762304043.db2.gz PVQRJOVBHAOPPB-SECBINFHSA-N 1 1 345.856 0.897 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN(CCOC)c1ccc(C#N)nc1 ZINC001126403578 754516751 /nfs/dbraw/zinc/51/67/51/754516751.db2.gz IMQIWFPPIIBSPN-UHFFFAOYSA-N 1 1 333.436 0.864 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSC(C)C)C1 ZINC001111601033 754596349 /nfs/dbraw/zinc/59/63/49/754596349.db2.gz ILVCZXCRCHTNDH-YOEHRIQHSA-N 1 1 337.489 0.848 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSC(C)C)C1 ZINC001111601033 754596352 /nfs/dbraw/zinc/59/63/52/754596352.db2.gz ILVCZXCRCHTNDH-YOEHRIQHSA-N 1 1 337.489 0.848 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3cscn3)C2)[nH]1 ZINC001051554906 762330081 /nfs/dbraw/zinc/33/00/81/762330081.db2.gz JBHUFIWXYDGGRY-CYBMUJFWSA-N 1 1 331.401 0.974 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncccn3)C2)[nH]1 ZINC001051555793 762330866 /nfs/dbraw/zinc/33/08/66/762330866.db2.gz ODQSLRLSXFUITI-ZDUSSCGKSA-N 1 1 326.360 0.307 20 30 ECEDMO C#CCOCCC(=O)NCCN(CCOC)c1cc(C)[nH+]c(C)n1 ZINC001126415418 754890505 /nfs/dbraw/zinc/89/05/05/754890505.db2.gz LYQGRCBNTUNJCC-UHFFFAOYSA-N 1 1 334.420 0.702 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)cc1F ZINC001028734791 754909997 /nfs/dbraw/zinc/90/99/97/754909997.db2.gz CINGDCWWXFOWLJ-UKRRQHHQSA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028735425 754917658 /nfs/dbraw/zinc/91/76/58/754917658.db2.gz MJIGSELSYCBXRI-BBRMVZONSA-N 1 1 326.400 0.632 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990277444 754932377 /nfs/dbraw/zinc/93/23/77/754932377.db2.gz QBVGRPNZXQNPPB-DOTOQJQBSA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990277444 754932383 /nfs/dbraw/zinc/93/23/83/754932383.db2.gz QBVGRPNZXQNPPB-DOTOQJQBSA-N 1 1 339.403 0.942 20 30 ECEDMO Cc1ccnc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC001051564097 762349031 /nfs/dbraw/zinc/34/90/31/762349031.db2.gz XKOLBQXCIDIPGZ-HNNXBMFYSA-N 1 1 340.387 0.616 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028772309 755058017 /nfs/dbraw/zinc/05/80/17/755058017.db2.gz BUZSORNZNRQOED-ZJUUUORDSA-N 1 1 331.214 0.015 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028772309 755058020 /nfs/dbraw/zinc/05/80/20/755058020.db2.gz BUZSORNZNRQOED-ZJUUUORDSA-N 1 1 331.214 0.015 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 ZINC001028773616 755060922 /nfs/dbraw/zinc/06/09/22/755060922.db2.gz NFEHLGAWHQYKCU-IUODEOHRSA-N 1 1 345.378 0.317 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H]1C ZINC001088710894 755086796 /nfs/dbraw/zinc/08/67/96/755086796.db2.gz BDMSYIRLOJFISV-YPMHNXCESA-N 1 1 328.372 0.628 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001028795352 755149875 /nfs/dbraw/zinc/14/98/75/755149875.db2.gz YLWFGHRHHIYIMV-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001028809643 755198801 /nfs/dbraw/zinc/19/88/01/755198801.db2.gz MEQQXNZOUKDXHA-UAGQMJEPSA-N 1 1 332.448 0.992 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001028862878 755334699 /nfs/dbraw/zinc/33/46/99/755334699.db2.gz YOMIGKLKQJAEDA-UONOGXRCSA-N 1 1 329.466 0.425 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4ncc[nH]4)CCC[C@@H]23)C1=O ZINC000990589289 755456578 /nfs/dbraw/zinc/45/65/78/755456578.db2.gz NSNAWNMQGCZZEX-IYOUNJFTSA-N 1 1 343.431 0.923 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001075964719 755490951 /nfs/dbraw/zinc/49/09/51/755490951.db2.gz HETBEHDGPZUSCY-MELADBBJSA-N 1 1 331.420 0.655 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990630512 755522097 /nfs/dbraw/zinc/52/20/97/755522097.db2.gz NXVXIVXUDCNWES-LBPRGKRZSA-N 1 1 329.828 0.423 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990630512 755522101 /nfs/dbraw/zinc/52/21/01/755522101.db2.gz NXVXIVXUDCNWES-LBPRGKRZSA-N 1 1 329.828 0.423 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnn(CC)c1 ZINC001075974811 755542232 /nfs/dbraw/zinc/54/22/32/755542232.db2.gz YQHDDHPKIVYFJG-HOCLYGCPSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnn(CC)c1 ZINC001075974811 755542234 /nfs/dbraw/zinc/54/22/34/755542234.db2.gz YQHDDHPKIVYFJG-HOCLYGCPSA-N 1 1 345.447 0.625 20 30 ECEDMO Cc1cc(=O)n2nc(C[NH2+]CCNC(=O)C#CC(C)C)sc2n1 ZINC001126823173 755555810 /nfs/dbraw/zinc/55/58/10/755555810.db2.gz RBRCEIBTKVUTLN-UHFFFAOYSA-N 1 1 333.417 0.325 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC001030020581 755595019 /nfs/dbraw/zinc/59/50/19/755595019.db2.gz UILPGVQUBCBARQ-BBWFWOEESA-N 1 1 348.491 0.838 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1C ZINC001088763786 755598887 /nfs/dbraw/zinc/59/88/87/755598887.db2.gz ZPMVKDXBZGYZRN-SNPRPXQTSA-N 1 1 331.420 0.911 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3c(=O)o2)[C@@H](O)C1 ZINC001083493698 755692931 /nfs/dbraw/zinc/69/29/31/755692931.db2.gz OQDSIJOCHCRUMY-CABCVRRESA-N 1 1 326.352 0.591 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3c(=O)o2)[C@@H](O)C1 ZINC001083493698 755692935 /nfs/dbraw/zinc/69/29/35/755692935.db2.gz OQDSIJOCHCRUMY-CABCVRRESA-N 1 1 326.352 0.591 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(Br)n[nH]2)[C@@H](O)C1 ZINC001083499309 755731745 /nfs/dbraw/zinc/73/17/45/755731745.db2.gz RAZXYURJHJCZQD-ZJUUUORDSA-N 1 1 329.198 0.523 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(Br)n[nH]2)[C@@H](O)C1 ZINC001083499309 755731747 /nfs/dbraw/zinc/73/17/47/755731747.db2.gz RAZXYURJHJCZQD-ZJUUUORDSA-N 1 1 329.198 0.523 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(Br)n[nH]2)[C@@H](O)C1 ZINC001083501238 755743851 /nfs/dbraw/zinc/74/38/51/755743851.db2.gz COAUTHOSSNESFN-MNOVXSKESA-N 1 1 343.225 0.913 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C)n3C)C2)C1=O ZINC001010185543 755776684 /nfs/dbraw/zinc/77/66/84/755776684.db2.gz LNQQMRYMZNHVFU-GOEBONIOSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)n3C)C2)C1=O ZINC001010185543 755776688 /nfs/dbraw/zinc/77/66/88/755776688.db2.gz LNQQMRYMZNHVFU-GOEBONIOSA-N 1 1 330.432 0.925 20 30 ECEDMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083537063 755980692 /nfs/dbraw/zinc/98/06/92/755980692.db2.gz ZZFSAYCSVCLQOD-IEAZIUSSSA-N 1 1 345.399 0.023 20 30 ECEDMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083537063 755980696 /nfs/dbraw/zinc/98/06/96/755980696.db2.gz ZZFSAYCSVCLQOD-IEAZIUSSSA-N 1 1 345.399 0.023 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1nnnn1C1CCOCC1 ZINC001126916290 755980935 /nfs/dbraw/zinc/98/09/35/755980935.db2.gz RWGZONXBEPGAQZ-UHFFFAOYSA-N 1 1 334.424 0.280 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4n[nH]nc4C)[C@@H]3C2)C1=O ZINC001076118136 756097944 /nfs/dbraw/zinc/09/79/44/756097944.db2.gz IVYDKVNBFROFGT-MELADBBJSA-N 1 1 344.419 0.046 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4[nH]nnc4C)[C@@H]3C2)C1=O ZINC001076118136 756097947 /nfs/dbraw/zinc/09/79/47/756097947.db2.gz IVYDKVNBFROFGT-MELADBBJSA-N 1 1 344.419 0.046 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4[nH]nnc4C)[C@@H]3C2)C1=O ZINC001076118136 756097949 /nfs/dbraw/zinc/09/79/49/756097949.db2.gz IVYDKVNBFROFGT-MELADBBJSA-N 1 1 344.419 0.046 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001098662000 756132152 /nfs/dbraw/zinc/13/21/52/756132152.db2.gz WZXLQWIXLORCNT-OAHLLOKOSA-N 1 1 325.376 0.841 20 30 ECEDMO Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010477507 756168088 /nfs/dbraw/zinc/16/80/88/756168088.db2.gz LDQHHTWGHWSICQ-ZDUSSCGKSA-N 1 1 345.428 0.922 20 30 ECEDMO Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010477507 756168090 /nfs/dbraw/zinc/16/80/90/756168090.db2.gz LDQHHTWGHWSICQ-ZDUSSCGKSA-N 1 1 345.428 0.922 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)c1 ZINC001010497498 756185227 /nfs/dbraw/zinc/18/52/27/756185227.db2.gz LMMRHWNGDQUANF-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1CCNC(=O)C1 ZINC001010500958 756188901 /nfs/dbraw/zinc/18/89/01/756188901.db2.gz ZEWCDVCKJJSSMX-IAGOWNOFSA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCNC(=O)C1 ZINC001010500958 756188905 /nfs/dbraw/zinc/18/89/05/756188905.db2.gz ZEWCDVCKJJSSMX-IAGOWNOFSA-N 1 1 325.412 0.755 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076196610 756202707 /nfs/dbraw/zinc/20/27/07/756202707.db2.gz LXUGDQPRBLIDJD-ARFHVFGLSA-N 1 1 339.399 0.272 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076196610 756202709 /nfs/dbraw/zinc/20/27/09/756202709.db2.gz LXUGDQPRBLIDJD-ARFHVFGLSA-N 1 1 339.399 0.272 20 30 ECEDMO C#CCCCCC(=O)NCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001076209444 756218741 /nfs/dbraw/zinc/21/87/41/756218741.db2.gz OVWQVXFYXJVNFA-INIZCTEOSA-N 1 1 337.464 0.913 20 30 ECEDMO Cn1c(Cl)cnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051608873 762457720 /nfs/dbraw/zinc/45/77/20/762457720.db2.gz LLVGDNSQAAKQHG-ZDUSSCGKSA-N 1 1 336.823 0.804 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1C ZINC001051610515 762461081 /nfs/dbraw/zinc/46/10/81/762461081.db2.gz CQMVPEJYECGRNE-HNNXBMFYSA-N 1 1 345.447 0.669 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC001010655796 756358339 /nfs/dbraw/zinc/35/83/39/756358339.db2.gz DCSACDAAKUUHKI-CVEARBPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC001010655796 756358342 /nfs/dbraw/zinc/35/83/42/756358342.db2.gz DCSACDAAKUUHKI-CVEARBPZSA-N 1 1 333.432 0.181 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)[nH]1 ZINC001010658311 756360814 /nfs/dbraw/zinc/36/08/14/756360814.db2.gz RMJHYGHMZUCQAL-OCCSQVGLSA-N 1 1 329.404 0.607 20 30 ECEDMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010676395 756386665 /nfs/dbraw/zinc/38/66/65/756386665.db2.gz BPYZQJVIQOVPNG-OAHLLOKOSA-N 1 1 325.372 0.226 20 30 ECEDMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010676395 756386670 /nfs/dbraw/zinc/38/66/70/756386670.db2.gz BPYZQJVIQOVPNG-OAHLLOKOSA-N 1 1 325.372 0.226 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001010685758 756394789 /nfs/dbraw/zinc/39/47/89/756394789.db2.gz AQLZQDHIAAMVPT-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001010685753 756394822 /nfs/dbraw/zinc/39/48/22/756394822.db2.gz AQLZQDHIAAMVPT-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 ZINC001076351200 756402646 /nfs/dbraw/zinc/40/26/46/756402646.db2.gz UTRKIGJCGNWOEL-DWBBHFSCSA-N 1 1 346.431 0.474 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c[nH]1 ZINC001010694125 756407469 /nfs/dbraw/zinc/40/74/69/756407469.db2.gz BJGICIBNVPQOES-GXTWGEPZSA-N 1 1 329.404 0.607 20 30 ECEDMO CC#CCN1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076349727 756408490 /nfs/dbraw/zinc/40/84/90/756408490.db2.gz QPOCOBMUMNKXON-DOTOQJQBSA-N 1 1 329.448 0.614 20 30 ECEDMO CCCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051611638 762465632 /nfs/dbraw/zinc/46/56/32/762465632.db2.gz MVHQOQIVHURKOH-INIZCTEOSA-N 1 1 345.447 0.727 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001010741348 756469024 /nfs/dbraw/zinc/46/90/24/756469024.db2.gz UIDMDXDJJODYOG-LSDHHAIUSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)[C@@H]2C1 ZINC001076456502 756532361 /nfs/dbraw/zinc/53/23/61/756532361.db2.gz OUXFYIQKCLLODJ-GXTWGEPZSA-N 1 1 325.372 0.605 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@@H]2C1 ZINC001076457530 756534561 /nfs/dbraw/zinc/53/45/61/756534561.db2.gz HIPGCLQVGGGJOO-WDEREUQCSA-N 1 1 332.360 0.066 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076504797 756588287 /nfs/dbraw/zinc/58/82/87/756588287.db2.gz RVALGXQHFUZBON-RCCFBDPRSA-N 1 1 337.423 0.632 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12 ZINC000991655768 762485020 /nfs/dbraw/zinc/48/50/20/762485020.db2.gz MSPVCRABUMNGLZ-DYVFJYSZSA-N 1 1 332.404 0.638 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001040361487 756677989 /nfs/dbraw/zinc/67/79/89/756677989.db2.gz RVKKKLMRRSDRLG-WFASDCNBSA-N 1 1 326.828 0.735 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001040361487 756677992 /nfs/dbraw/zinc/67/79/92/756677992.db2.gz RVKKKLMRRSDRLG-WFASDCNBSA-N 1 1 326.828 0.735 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3nc(C4CC4)nn3C)[C@@H]2C1 ZINC001076593720 756702368 /nfs/dbraw/zinc/70/23/68/756702368.db2.gz YSQXEYXAQMPBBB-LSDHHAIUSA-N 1 1 327.432 0.791 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001010961233 756706548 /nfs/dbraw/zinc/70/65/48/756706548.db2.gz GBWWYEDULUFODQ-DTDBQYNISA-N 1 1 348.447 0.174 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001010961233 756706553 /nfs/dbraw/zinc/70/65/53/756706553.db2.gz GBWWYEDULUFODQ-DTDBQYNISA-N 1 1 348.447 0.174 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cccnc2)CC1 ZINC001011005163 756753923 /nfs/dbraw/zinc/75/39/23/756753923.db2.gz GZINYELCRXZJIL-KRWDZBQOSA-N 1 1 340.427 0.393 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cccnc2)CC1 ZINC001011005163 756753925 /nfs/dbraw/zinc/75/39/25/756753925.db2.gz GZINYELCRXZJIL-KRWDZBQOSA-N 1 1 340.427 0.393 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)N(CCOC)C3)CCC[C@@H]12 ZINC000990934725 756907656 /nfs/dbraw/zinc/90/76/56/756907656.db2.gz KBYLQKPFTGCSIV-IIDMSEBBSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C(=O)C#CC3CC3)CC1)C2 ZINC001011110381 756940606 /nfs/dbraw/zinc/94/06/06/756940606.db2.gz WZFNYRFVUFHLNU-INIZCTEOSA-N 1 1 340.427 0.838 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1 ZINC000996104511 756941254 /nfs/dbraw/zinc/94/12/54/756941254.db2.gz QQADWICMAIHUJJ-YOENINGUSA-N 1 1 341.415 0.700 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)c1 ZINC001076757654 756976579 /nfs/dbraw/zinc/97/65/79/756976579.db2.gz CHZQHLZHOMEIDN-GVDBMIGSSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)c1 ZINC001076757654 756976590 /nfs/dbraw/zinc/97/65/90/756976590.db2.gz CHZQHLZHOMEIDN-GVDBMIGSSA-N 1 1 329.400 0.789 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O)n1cccn1 ZINC001076762184 757008272 /nfs/dbraw/zinc/00/82/72/757008272.db2.gz QMEASJCHAXALDF-KBRIMQKVSA-N 1 1 339.399 0.677 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O)n1cccn1 ZINC001076762184 757008281 /nfs/dbraw/zinc/00/82/81/757008281.db2.gz QMEASJCHAXALDF-KBRIMQKVSA-N 1 1 339.399 0.677 20 30 ECEDMO Cn1nncc1C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001048799046 757033191 /nfs/dbraw/zinc/03/31/91/757033191.db2.gz ZACDPMJIAPBLSM-IYBDPMFKSA-N 1 1 336.399 0.891 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076768615 757058258 /nfs/dbraw/zinc/05/82/58/757058258.db2.gz GZNDPPSIXXICOQ-SWLSCSKDSA-N 1 1 347.419 0.232 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076768615 757058269 /nfs/dbraw/zinc/05/82/69/757058269.db2.gz GZNDPPSIXXICOQ-SWLSCSKDSA-N 1 1 347.419 0.232 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048807706 757061114 /nfs/dbraw/zinc/06/11/14/757061114.db2.gz QXCNRGOZPQZDAT-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001048844707 757160231 /nfs/dbraw/zinc/16/02/31/757160231.db2.gz QGFWJTTZCYWVLC-PMPSAXMXSA-N 1 1 337.464 0.856 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@H]2C1 ZINC001048848920 757174777 /nfs/dbraw/zinc/17/47/77/757174777.db2.gz YELZLWOYXHHVAD-UPJWGTAASA-N 1 1 339.823 0.667 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001011205834 757186545 /nfs/dbraw/zinc/18/65/45/757186545.db2.gz CJBBEUJNDFGQQJ-ZACQAIPSSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CO[C@H]3CCOC3)nn2)C1 ZINC001107172770 757224163 /nfs/dbraw/zinc/22/41/63/757224163.db2.gz LDYQTFDHNGCZRP-HNNXBMFYSA-N 1 1 335.408 0.133 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3ccn(CC)n3)nn2)C1 ZINC001107173770 757279739 /nfs/dbraw/zinc/27/97/39/757279739.db2.gz IFOHMPQECHEQCI-UHFFFAOYSA-N 1 1 343.435 0.786 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)CC[C@H]3CCC[N@H+]3C)nn2)C1 ZINC001107180169 757298307 /nfs/dbraw/zinc/29/83/07/757298307.db2.gz FAENXQVUFPTGPP-MRXNPFEDSA-N 1 1 344.463 0.649 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2c2cncc(C#N)n2)C1 ZINC001060144234 757324859 /nfs/dbraw/zinc/32/48/59/757324859.db2.gz BXDMDZTVPFYYSQ-HIFRSBDPSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCC(=O)NC3)nn2)C1 ZINC001107178423 757334465 /nfs/dbraw/zinc/33/44/65/757334465.db2.gz XDZVCBZEXJBPSH-ZDUSSCGKSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C3(F)CCOCC3)nn2)C1 ZINC001107178428 757335101 /nfs/dbraw/zinc/33/51/01/757335101.db2.gz XGSKKYWTHUVFSC-UHFFFAOYSA-N 1 1 337.399 0.846 20 30 ECEDMO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@@H]1O ZINC001048937349 757463551 /nfs/dbraw/zinc/46/35/51/757463551.db2.gz HBLJLNZIEAEQLB-BXWFABGCSA-N 1 1 349.475 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001011314200 757487081 /nfs/dbraw/zinc/48/70/81/757487081.db2.gz ICCKTDJFKUUVCL-JTDSTZFVSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001011314200 757487089 /nfs/dbraw/zinc/48/70/89/757487089.db2.gz ICCKTDJFKUUVCL-JTDSTZFVSA-N 1 1 329.444 0.945 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001105900732 762561191 /nfs/dbraw/zinc/56/11/91/762561191.db2.gz ULXYVMPUVWUOCN-CQSZACIVSA-N 1 1 343.391 0.223 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001021594666 757660586 /nfs/dbraw/zinc/66/05/86/757660586.db2.gz ODPSXNICKUFXLV-LSDHHAIUSA-N 1 1 346.431 0.046 20 30 ECEDMO C=CCCN1CC(n2cc(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)nn2)C1 ZINC001107210884 757697526 /nfs/dbraw/zinc/69/75/26/757697526.db2.gz HIHVJBAKBWZXDV-CQSZACIVSA-N 1 1 332.452 0.669 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ccncc2C#N)C1 ZINC001107211108 757698985 /nfs/dbraw/zinc/69/89/85/757698985.db2.gz RWBNJMJKQHSDGC-CWDCEQMOSA-N 1 1 329.404 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ccncc2C#N)C1 ZINC001107211108 757698993 /nfs/dbraw/zinc/69/89/93/757698993.db2.gz RWBNJMJKQHSDGC-CWDCEQMOSA-N 1 1 329.404 0.180 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ncc(C#N)cc2F)C1 ZINC001107211162 757699517 /nfs/dbraw/zinc/69/95/17/757699517.db2.gz SRIDLNUQOHGZDN-ABCZVMIZSA-N 1 1 347.394 0.897 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ncc(C#N)cc2F)C1 ZINC001107211162 757699526 /nfs/dbraw/zinc/69/95/26/757699526.db2.gz SRIDLNUQOHGZDN-ABCZVMIZSA-N 1 1 347.394 0.897 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNc2cc(C)ncc2C#N)C1 ZINC001107211373 757700566 /nfs/dbraw/zinc/70/05/66/757700566.db2.gz VSHDEPFBKKCMRQ-CHYADLBTSA-N 1 1 343.431 0.489 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2cc(C)ncc2C#N)C1 ZINC001107211373 757700578 /nfs/dbraw/zinc/70/05/78/757700578.db2.gz VSHDEPFBKKCMRQ-CHYADLBTSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001021634772 757717591 /nfs/dbraw/zinc/71/75/91/757717591.db2.gz FBOWCHAXCOJSIA-BBRMVZONSA-N 1 1 338.415 0.923 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021636952 757719053 /nfs/dbraw/zinc/71/90/53/757719053.db2.gz VGDQDEMDBWKMNT-HUUCEWRRSA-N 1 1 333.436 0.471 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)s1 ZINC001021661716 757753098 /nfs/dbraw/zinc/75/30/98/757753098.db2.gz RHTYXIADANVJGS-RISCZKNCSA-N 1 1 332.429 0.918 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)c1 ZINC001021661703 757753705 /nfs/dbraw/zinc/75/37/05/757753705.db2.gz REDPSAQOULWCRF-CVEARBPZSA-N 1 1 326.400 0.856 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001049048028 757775875 /nfs/dbraw/zinc/77/58/75/757775875.db2.gz GBAYMAFGHZXCOE-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049048814 757777671 /nfs/dbraw/zinc/77/76/71/757777671.db2.gz RFAOVIZFDMCYJV-PMPSAXMXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021691107 757789156 /nfs/dbraw/zinc/78/91/56/757789156.db2.gz NFWHYHRVBUGWQN-ZFWWWQNUSA-N 1 1 331.416 0.375 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001021701174 757818502 /nfs/dbraw/zinc/81/85/02/757818502.db2.gz VZFKELRXMYTXCP-DZGCQCFKSA-N 1 1 344.415 0.685 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cnccc2=O)C1 ZINC001021701587 757821694 /nfs/dbraw/zinc/82/16/94/757821694.db2.gz BCMYJGFENKMBSC-IAGOWNOFSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc(N4CCCC4)ncn3)C[C@H]2C1 ZINC001049059649 757824466 /nfs/dbraw/zinc/82/44/66/757824466.db2.gz YFWPIXMRBHLDQJ-GASCZTMLSA-N 1 1 325.416 0.714 20 30 ECEDMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076977074 757830235 /nfs/dbraw/zinc/83/02/35/757830235.db2.gz CNBAZYZOVLHNJS-HUUCEWRRSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076977074 757830248 /nfs/dbraw/zinc/83/02/48/757830248.db2.gz CNBAZYZOVLHNJS-HUUCEWRRSA-N 1 1 325.372 0.565 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(=O)NC)CC[C@@H]32)nc1 ZINC001021713029 757849502 /nfs/dbraw/zinc/84/95/02/757849502.db2.gz CTUBFIBYVGQFJC-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2nc(C)ccc2=O)C1 ZINC001021719732 757861056 /nfs/dbraw/zinc/86/10/56/757861056.db2.gz RKUZYFCWPWHUNJ-HOTGVXAUSA-N 1 1 328.416 0.498 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021729549 757871930 /nfs/dbraw/zinc/87/19/30/757871930.db2.gz GAZOMSPMTZXMMT-UONOGXRCSA-N 1 1 334.420 0.379 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021729550 757872371 /nfs/dbraw/zinc/87/23/71/757872371.db2.gz GAZOMSPMTZXMMT-ZIAGYGMSSA-N 1 1 334.420 0.379 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001076996817 757899449 /nfs/dbraw/zinc/89/94/49/757899449.db2.gz PHIJIYQTPUAVAI-FVQBIDKESA-N 1 1 334.420 0.504 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001076996817 757899460 /nfs/dbraw/zinc/89/94/60/757899460.db2.gz PHIJIYQTPUAVAI-FVQBIDKESA-N 1 1 334.420 0.504 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4cnc[nH]4)C[C@H]3C2)C1=O ZINC001049083407 757914894 /nfs/dbraw/zinc/91/48/94/757914894.db2.gz BXDFZDZNKVEJLF-LZWOXQAQSA-N 1 1 343.431 0.129 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001049085823 757920809 /nfs/dbraw/zinc/92/08/09/757920809.db2.gz XPEPFAJKUBQMCV-HOTGVXAUSA-N 1 1 346.431 0.415 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001077015219 757926851 /nfs/dbraw/zinc/92/68/51/757926851.db2.gz IANZJBMTOPCZMP-VQHPVUNQSA-N 1 1 331.416 0.897 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001077013327 757938640 /nfs/dbraw/zinc/93/86/40/757938640.db2.gz TUFIPEKNQYYISJ-KLHDSHLOSA-N 1 1 330.432 0.501 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001077013327 757938646 /nfs/dbraw/zinc/93/86/46/757938646.db2.gz TUFIPEKNQYYISJ-KLHDSHLOSA-N 1 1 330.432 0.501 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001049111915 757989191 /nfs/dbraw/zinc/98/91/91/757989191.db2.gz XMHBTFUXAJSRGM-ULQDDVLXSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@H]2C1 ZINC001049112026 757990403 /nfs/dbraw/zinc/99/04/03/757990403.db2.gz DBCGJTWYDFMHBU-PHIMTYICSA-N 1 1 328.401 0.565 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001049112005 757990433 /nfs/dbraw/zinc/99/04/33/757990433.db2.gz YECBALKDQAWTPT-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@H]2C1 ZINC001049112636 757995588 /nfs/dbraw/zinc/99/55/88/757995588.db2.gz VZVCDMZYAKLVLH-OKILXGFUSA-N 1 1 325.372 0.462 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCc1cn(C2C[NH+](CC)C2)nn1 ZINC001107238647 758033031 /nfs/dbraw/zinc/03/30/31/758033031.db2.gz IUMSQNKHZJDBMV-UHFFFAOYSA-N 1 1 349.439 0.035 20 30 ECEDMO C=CCCOCC(=O)NCc1cn(C2C[NH+]([C@@H](C)COC)C2)nn1 ZINC001107241063 758043148 /nfs/dbraw/zinc/04/31/48/758043148.db2.gz LFDVASIMMQDTMO-ZDUSSCGKSA-N 1 1 337.424 0.379 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001077057940 758054233 /nfs/dbraw/zinc/05/42/33/758054233.db2.gz ZUQDBTNOFQCODT-GHMZBOCLSA-N 1 1 332.326 0.790 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001077057940 758054244 /nfs/dbraw/zinc/05/42/44/758054244.db2.gz ZUQDBTNOFQCODT-GHMZBOCLSA-N 1 1 332.326 0.790 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001021948074 758090147 /nfs/dbraw/zinc/09/01/47/758090147.db2.gz HHMXGPNUTQELNS-TXEJJXNPSA-N 1 1 328.380 0.333 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049149611 758130788 /nfs/dbraw/zinc/13/07/88/758130788.db2.gz IQFXOQUVLXXJHZ-KBPBESRZSA-N 1 1 325.453 0.571 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@H]2C1 ZINC001049154960 758153442 /nfs/dbraw/zinc/15/34/42/758153442.db2.gz TZSUHUZSUSPWBL-KFWWJZLASA-N 1 1 326.462 0.778 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001212127289 758204734 /nfs/dbraw/zinc/20/47/34/758204734.db2.gz IOMVLJUNHYSFCR-HZPDHXFCSA-N 1 1 334.420 0.988 20 30 ECEDMO CS[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107294810 758215888 /nfs/dbraw/zinc/21/58/88/758215888.db2.gz FXZHAUJNYPHDTG-XJKCOSOUSA-N 1 1 338.477 0.738 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]3C2)nc1 ZINC001049177766 758231374 /nfs/dbraw/zinc/23/13/74/758231374.db2.gz MXSBGPLKCWODCM-CWRNSKLLSA-N 1 1 340.427 0.543 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049179735 758238850 /nfs/dbraw/zinc/23/88/50/758238850.db2.gz KITGNCOYDMINSW-BBWFWOEESA-N 1 1 338.411 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cncs1 ZINC001077123753 758249656 /nfs/dbraw/zinc/24/96/56/758249656.db2.gz BIWPVEQJCXTJQW-STQMWFEESA-N 1 1 334.445 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cncs1 ZINC001077123753 758249666 /nfs/dbraw/zinc/24/96/66/758249666.db2.gz BIWPVEQJCXTJQW-STQMWFEESA-N 1 1 334.445 0.865 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049189868 758255485 /nfs/dbraw/zinc/25/54/85/758255485.db2.gz AGRKPZFQHNNISE-IJEWVQPXSA-N 1 1 341.477 0.425 20 30 ECEDMO COC[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107321592 758265733 /nfs/dbraw/zinc/26/57/33/758265733.db2.gz UADQJQYWWQWTAA-CKEIUWERSA-N 1 1 336.436 0.269 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)COC)CCC[C@@H]12 ZINC001107321500 758266188 /nfs/dbraw/zinc/26/61/88/758266188.db2.gz QKBSMESANXWLQC-IIDMSEBBSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncn1C)CC2 ZINC001107330589 758270780 /nfs/dbraw/zinc/27/07/80/758270780.db2.gz FBRNOQZCIPXOFS-RHSMWYFYSA-N 1 1 333.436 0.879 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncn1C)CC2 ZINC001107330589 758270783 /nfs/dbraw/zinc/27/07/83/758270783.db2.gz FBRNOQZCIPXOFS-RHSMWYFYSA-N 1 1 333.436 0.879 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccn(CC)n1 ZINC001077125054 758288831 /nfs/dbraw/zinc/28/88/31/758288831.db2.gz KWXWONKGYCQAOQ-HOCLYGCPSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccn(CC)n1 ZINC001077125054 758288841 /nfs/dbraw/zinc/28/88/41/758288841.db2.gz KWXWONKGYCQAOQ-HOCLYGCPSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(CCOC)CC1 ZINC001077125541 758292234 /nfs/dbraw/zinc/29/22/34/758292234.db2.gz WNJVAKLATHSJMS-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(CCOC)CC1 ZINC001077125541 758292240 /nfs/dbraw/zinc/29/22/40/758292240.db2.gz WNJVAKLATHSJMS-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO COCC#CC[N@@H+]1C[C@H](NC(=O)c2cn[nH]c2)CC2(CCOCC2)C1 ZINC001099563638 758294118 /nfs/dbraw/zinc/29/41/18/758294118.db2.gz IUCCTMIYUSYYRK-MRXNPFEDSA-N 1 1 346.431 0.660 20 30 ECEDMO COCC#CC[N@H+]1C[C@H](NC(=O)c2cn[nH]c2)CC2(CCOCC2)C1 ZINC001099563638 758294127 /nfs/dbraw/zinc/29/41/27/758294127.db2.gz IUCCTMIYUSYYRK-MRXNPFEDSA-N 1 1 346.431 0.660 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001077138819 758295996 /nfs/dbraw/zinc/29/59/96/758295996.db2.gz OTVUGOPCJHBAIB-VNQPRFMTSA-N 1 1 346.431 0.070 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001077138819 758296004 /nfs/dbraw/zinc/29/60/04/758296004.db2.gz OTVUGOPCJHBAIB-VNQPRFMTSA-N 1 1 346.431 0.070 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077133145 758302088 /nfs/dbraw/zinc/30/20/88/758302088.db2.gz HPUIFPIFAGKYSH-GDBMZVCRSA-N 1 1 329.404 0.346 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077133145 758302096 /nfs/dbraw/zinc/30/20/96/758302096.db2.gz HPUIFPIFAGKYSH-GDBMZVCRSA-N 1 1 329.404 0.346 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)Cn3ccc(C(F)(F)F)n3)C[C@H]2C1 ZINC001049205959 758302905 /nfs/dbraw/zinc/30/29/05/758302905.db2.gz OJVCKXGJOJNWHV-TXEJJXNPSA-N 1 1 326.322 0.925 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(=O)n(CCCC)n3)C[C@H]2C1 ZINC001049210041 758315984 /nfs/dbraw/zinc/31/59/84/758315984.db2.gz MYEGGFAOVLGRSW-GASCZTMLSA-N 1 1 328.416 0.680 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001077140928 758327357 /nfs/dbraw/zinc/32/73/57/758327357.db2.gz MJTVNKXMTZNFPQ-VXGBXAGGSA-N 1 1 332.326 0.796 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001077140928 758327363 /nfs/dbraw/zinc/32/73/63/758327363.db2.gz MJTVNKXMTZNFPQ-VXGBXAGGSA-N 1 1 332.326 0.796 20 30 ECEDMO N#Cc1nccc(NC/C=C\CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)n1 ZINC001107348794 758364598 /nfs/dbraw/zinc/36/45/98/758364598.db2.gz MBDWQQKNFMEJCD-VIOGHGGCSA-N 1 1 340.431 0.729 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1O ZINC001077158441 758374781 /nfs/dbraw/zinc/37/47/81/758374781.db2.gz FWUSJFRTEICHBR-FGTMMUONSA-N 1 1 327.428 0.446 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001077165469 758397307 /nfs/dbraw/zinc/39/73/07/758397307.db2.gz QBACCJLFGMXKFS-IIDMSEBBSA-N 1 1 335.448 0.420 20 30 ECEDMO CO[C@@H](C)C[NH+]1CC(OC2CCN(C(=O)CSCC#N)CC2)C1 ZINC001105690830 758433121 /nfs/dbraw/zinc/43/31/21/758433121.db2.gz AIXDXADDSYGFHR-ZDUSSCGKSA-N 1 1 341.477 0.970 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC(C)(C)O)CCC[C@@H]12 ZINC001107388411 758441925 /nfs/dbraw/zinc/44/19/25/758441925.db2.gz HSRIQSWMMKHPNM-RDTXWAMCSA-N 1 1 335.448 0.258 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001077194037 758477222 /nfs/dbraw/zinc/47/72/22/758477222.db2.gz WBDXVPZIRRDVGB-ZIAGYGMSSA-N 1 1 332.404 0.801 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107404794 758482346 /nfs/dbraw/zinc/48/23/46/758482346.db2.gz OPUORHHLPSZQJU-VQIMIIECSA-N 1 1 347.459 0.619 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107401517 758499660 /nfs/dbraw/zinc/49/96/60/758499660.db2.gz RQTKOXURXVWNOM-HDMKZQKVSA-N 1 1 346.431 0.025 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)S(C)(=O)=O)CCC[C@@H]12 ZINC001107426772 758537992 /nfs/dbraw/zinc/53/79/92/758537992.db2.gz TYQDQTZTAXRHQR-GDBMZVCRSA-N 1 1 341.477 0.262 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3C(=O)CCC3=O)CCC[C@@H]12 ZINC001107429251 758546224 /nfs/dbraw/zinc/54/62/24/758546224.db2.gz DLQPYIKUYWXXEM-SPYBWZPUSA-N 1 1 345.443 0.908 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCNS(C)(=O)=O)CCC[C@@H]12 ZINC001107429456 758547998 /nfs/dbraw/zinc/54/79/98/758547998.db2.gz MUNHFNOXVZBCTD-GDBMZVCRSA-N 1 1 343.493 0.863 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)C[C@H](C)Nc1nc(C)[nH+]c(C)c1C ZINC001115683794 758610576 /nfs/dbraw/zinc/61/05/76/758610576.db2.gz HHCLEEVETYBANY-NSHDSACASA-N 1 1 331.420 0.800 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC)CC2(CCOCC2)C1 ZINC001099565115 758617888 /nfs/dbraw/zinc/61/78/88/758617888.db2.gz AHRREHBOODGKBP-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC)CC2(CCOCC2)C1 ZINC001099565115 758617901 /nfs/dbraw/zinc/61/79/01/758617901.db2.gz AHRREHBOODGKBP-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)CCC[C@@H]12 ZINC001107465190 758621944 /nfs/dbraw/zinc/62/19/44/758621944.db2.gz PQOKNPGVVHDTPD-ZMSDIMECSA-N 1 1 338.473 0.805 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)CCC[C@@H]12 ZINC001107465190 758621949 /nfs/dbraw/zinc/62/19/49/758621949.db2.gz PQOKNPGVVHDTPD-ZMSDIMECSA-N 1 1 338.473 0.805 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCn2cncn2)c1 ZINC001049400542 758632477 /nfs/dbraw/zinc/63/24/77/758632477.db2.gz HKGKRWTXFZSIOB-JKSUJKDBSA-N 1 1 339.403 0.857 20 30 ECEDMO C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001049402083 758637232 /nfs/dbraw/zinc/63/72/32/758637232.db2.gz OHOUWIWGIMFKCA-RDBSUJKOSA-N 1 1 338.452 0.154 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001077273968 758662990 /nfs/dbraw/zinc/66/29/90/758662990.db2.gz RXFIVMRMKYQVOY-HUUCEWRRSA-N 1 1 329.404 0.779 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099565988 758772913 /nfs/dbraw/zinc/77/29/13/758772913.db2.gz LKAUPBTVZUJXBT-JKSUJKDBSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099565988 758772915 /nfs/dbraw/zinc/77/29/15/758772915.db2.gz LKAUPBTVZUJXBT-JKSUJKDBSA-N 1 1 349.475 0.768 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)NC ZINC001049476773 758782288 /nfs/dbraw/zinc/78/22/88/758782288.db2.gz BPMGUZRIKZEHNU-WCVJEAGWSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)NC ZINC001049476773 758782293 /nfs/dbraw/zinc/78/22/93/758782293.db2.gz BPMGUZRIKZEHNU-WCVJEAGWSA-N 1 1 335.448 0.779 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001022568391 758897039 /nfs/dbraw/zinc/89/70/39/758897039.db2.gz SBVZLMCQWIVLDC-QLFBSQMISA-N 1 1 332.448 0.937 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(OCC(N)=O)cc1 ZINC001049582039 758958865 /nfs/dbraw/zinc/95/88/65/758958865.db2.gz LFRGIJWIOQRFSN-DLBZAZTESA-N 1 1 341.411 0.863 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049611362 758992829 /nfs/dbraw/zinc/99/28/29/758992829.db2.gz GFMUIKIIWQENGR-LUKYLMHMSA-N 1 1 333.432 0.321 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)c1 ZINC001022685097 758997409 /nfs/dbraw/zinc/99/74/09/758997409.db2.gz FOIRLIIJRADYAL-GASCZTMLSA-N 1 1 339.403 0.681 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)c1 ZINC001022685233 758997531 /nfs/dbraw/zinc/99/75/31/758997531.db2.gz KYUMKLXDQGEBEA-OKILXGFUSA-N 1 1 337.387 0.435 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nc2ccccn2c1=O ZINC001049627526 759012026 /nfs/dbraw/zinc/01/20/26/759012026.db2.gz XTCSLONWMXXYBB-GJZGRUSLSA-N 1 1 341.415 0.747 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)ccc1F ZINC001049692107 759106153 /nfs/dbraw/zinc/10/61/53/759106153.db2.gz PZRMKHHVGVJNAT-HUUCEWRRSA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)ccc1F ZINC001049692107 759106159 /nfs/dbraw/zinc/10/61/59/759106159.db2.gz PZRMKHHVGVJNAT-HUUCEWRRSA-N 1 1 330.363 0.748 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CNC(=O)CCC)CC2)C1 ZINC001105694898 759109340 /nfs/dbraw/zinc/10/93/40/759109340.db2.gz ZGKKEVVBLQSLOM-UHFFFAOYSA-N 1 1 335.448 0.618 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)NC)c1 ZINC001049710863 759118686 /nfs/dbraw/zinc/11/86/86/759118686.db2.gz YQEBIORWNYXELP-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)NC)c1 ZINC001049710863 759118690 /nfs/dbraw/zinc/11/86/90/759118690.db2.gz YQEBIORWNYXELP-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cnnn1C ZINC001049741835 759156077 /nfs/dbraw/zinc/15/60/77/759156077.db2.gz QTMCQFWYGHNKEH-TWMKSMIVSA-N 1 1 345.447 0.972 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cnnn1C ZINC001049741835 759156085 /nfs/dbraw/zinc/15/60/85/759156085.db2.gz QTMCQFWYGHNKEH-TWMKSMIVSA-N 1 1 345.447 0.972 20 30 ECEDMO N#Cc1cccc(CN2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)c1 ZINC001030347941 762693546 /nfs/dbraw/zinc/69/35/46/762693546.db2.gz QCPWLZRISCHVFI-QZTJIDSGSA-N 1 1 340.427 0.722 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccncc2)[C@@H](O)C1 ZINC001083601375 759243503 /nfs/dbraw/zinc/24/35/03/759243503.db2.gz SXUYNAJNGYOQPL-CABCVRRESA-N 1 1 325.372 0.270 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccncc2)[C@@H](O)C1 ZINC001083601375 759243514 /nfs/dbraw/zinc/24/35/14/759243514.db2.gz SXUYNAJNGYOQPL-CABCVRRESA-N 1 1 325.372 0.270 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049842736 759287816 /nfs/dbraw/zinc/28/78/16/759287816.db2.gz XUQSEVLNOVRCTM-GHMZBOCLSA-N 1 1 334.376 0.761 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)[C@@H](O)C1 ZINC001083610410 759288498 /nfs/dbraw/zinc/28/84/98/759288498.db2.gz SEHKMENZBWBSLQ-ZBFHGGJFSA-N 1 1 329.400 0.557 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049850944 759299902 /nfs/dbraw/zinc/29/99/02/759299902.db2.gz VCYGJWZORRPEMU-KBPBESRZSA-N 1 1 342.403 0.673 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049885243 759348043 /nfs/dbraw/zinc/34/80/43/759348043.db2.gz NCJIYDIROMVLCC-CHWSQXEVSA-N 1 1 327.388 0.278 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049883676 759344553 /nfs/dbraw/zinc/34/45/53/759344553.db2.gz JDMWGEDKZZROII-STQMWFEESA-N 1 1 329.404 0.831 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O ZINC001049886755 759351196 /nfs/dbraw/zinc/35/11/96/759351196.db2.gz UHSSPXKBZKJARX-LSDHHAIUSA-N 1 1 348.447 0.912 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O ZINC001049887396 759351400 /nfs/dbraw/zinc/35/14/00/759351400.db2.gz WNXGPAWFTNWVBI-ZIAGYGMSSA-N 1 1 334.420 0.522 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001047636003 759365482 /nfs/dbraw/zinc/36/54/82/759365482.db2.gz JNPSHZVHMVTSSF-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001047636003 759365494 /nfs/dbraw/zinc/36/54/94/759365494.db2.gz JNPSHZVHMVTSSF-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1-n1cnnn1 ZINC001049896074 759371887 /nfs/dbraw/zinc/37/18/87/759371887.db2.gz WXKKYVJPTZXGNB-IRXDYDNUSA-N 1 1 336.399 0.974 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001047639154 759377751 /nfs/dbraw/zinc/37/77/51/759377751.db2.gz NSTMXGGKISQGGY-KBPBESRZSA-N 1 1 339.461 0.606 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047639532 759380305 /nfs/dbraw/zinc/38/03/05/759380305.db2.gz XCBXWDGQFCUANQ-JYJNAYRXSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047639532 759380315 /nfs/dbraw/zinc/38/03/15/759380315.db2.gz XCBXWDGQFCUANQ-JYJNAYRXSA-N 1 1 337.464 0.713 20 30 ECEDMO CN(C(=O)Cn1ccnc1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047645927 759396921 /nfs/dbraw/zinc/39/69/21/759396921.db2.gz BWPNCTNKAFCBAR-IRXDYDNUSA-N 1 1 339.399 0.458 20 30 ECEDMO CN(C(=O)Cn1ccnc1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047645927 759396931 /nfs/dbraw/zinc/39/69/31/759396931.db2.gz BWPNCTNKAFCBAR-IRXDYDNUSA-N 1 1 339.399 0.458 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001054242139 767856879 /nfs/dbraw/zinc/85/68/79/767856879.db2.gz GFHUNCWSWVGBAN-HKUYNNGSSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cccn3CC)C2)C1=O ZINC001032189317 759421386 /nfs/dbraw/zinc/42/13/86/759421386.db2.gz RIYRXMIBKYFHQA-INIZCTEOSA-N 1 1 330.432 0.957 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3cncc(C(N)=O)c3)C2)c1 ZINC001032194796 759490098 /nfs/dbraw/zinc/49/00/98/759490098.db2.gz WGGYRIBAXBCJEZ-UHFFFAOYSA-N 1 1 349.394 0.914 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)c1 ZINC001050008964 759544961 /nfs/dbraw/zinc/54/49/61/759544961.db2.gz JEVPYGGBUWTEOQ-AEGPPILISA-N 1 1 327.388 0.311 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)[nH]1 ZINC001050024181 759563225 /nfs/dbraw/zinc/56/32/25/759563225.db2.gz DUWDVHPUNYVHEA-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001050078682 759666467 /nfs/dbraw/zinc/66/64/67/759666467.db2.gz SAUXSDKIADLTMF-RRFJBIMHSA-N 1 1 343.431 0.492 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(COC)o2)C1 ZINC000995518672 759695160 /nfs/dbraw/zinc/69/51/60/759695160.db2.gz VKHFOUSYCRFZPL-HNNXBMFYSA-N 1 1 345.399 0.464 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(COC)o2)C1 ZINC000995518672 759695164 /nfs/dbraw/zinc/69/51/64/759695164.db2.gz VKHFOUSYCRFZPL-HNNXBMFYSA-N 1 1 345.399 0.464 20 30 ECEDMO N#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099459 759700958 /nfs/dbraw/zinc/70/09/58/759700958.db2.gz CXPMRPIPOPNILP-SYGRHNPNSA-N 1 1 330.432 0.296 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001050143892 759794894 /nfs/dbraw/zinc/79/48/94/759794894.db2.gz JGHQMCIGKKJWRM-HZMVEIRTSA-N 1 1 345.447 0.792 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001050164054 759837209 /nfs/dbraw/zinc/83/72/09/759837209.db2.gz ZGZOTNUPBHXQKS-RRFJBIMHSA-N 1 1 341.477 0.519 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001050170991 759855738 /nfs/dbraw/zinc/85/57/38/759855738.db2.gz KFAFTCHGKBTIQH-GXTWGEPZSA-N 1 1 332.404 0.848 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001050171200 759856602 /nfs/dbraw/zinc/85/66/02/759856602.db2.gz OASUCSJLJSFUGP-GXTWGEPZSA-N 1 1 330.388 0.295 20 30 ECEDMO CCc1nc(C#N)cc(NC/C=C\CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001107093576 759896515 /nfs/dbraw/zinc/89/65/15/759896515.db2.gz ITBDRWISJJXYAR-WSNITJDQSA-N 1 1 344.419 0.326 20 30 ECEDMO CCc1nc(C#N)cc(NC/C=C\CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001107093576 759896523 /nfs/dbraw/zinc/89/65/23/759896523.db2.gz ITBDRWISJJXYAR-WSNITJDQSA-N 1 1 344.419 0.326 20 30 ECEDMO Cn1cc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)nn1 ZINC000995643492 759924064 /nfs/dbraw/zinc/92/40/64/759924064.db2.gz CKZVQUHFFTUUSN-CQSZACIVSA-N 1 1 327.392 0.655 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC001050213811 759949105 /nfs/dbraw/zinc/94/91/05/759949105.db2.gz AEWSBGCNTLOBQN-GOEBONIOSA-N 1 1 326.400 0.740 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993014949 767904452 /nfs/dbraw/zinc/90/44/52/767904452.db2.gz OEYQXBWSAIRADQ-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001012445867 760013059 /nfs/dbraw/zinc/01/30/59/760013059.db2.gz KVHJAABWIQLEOY-BXUZGUMPSA-N 1 1 340.387 0.811 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001125247746 760017546 /nfs/dbraw/zinc/01/75/46/760017546.db2.gz SSJULXILYCWMJQ-SJORKVTESA-N 1 1 345.447 0.693 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001125247745 760017760 /nfs/dbraw/zinc/01/77/60/760017760.db2.gz SSJULXILYCWMJQ-IRXDYDNUSA-N 1 1 345.447 0.693 20 30 ECEDMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)[nH]1 ZINC000995684465 760041483 /nfs/dbraw/zinc/04/14/83/760041483.db2.gz ARCCYGKUIBCUNB-CYBMUJFWSA-N 1 1 327.392 0.953 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)[C@@H]2C)C1 ZINC001050346824 760157472 /nfs/dbraw/zinc/15/74/72/760157472.db2.gz OLIGTUBWVUJTFX-VHDGCEQUSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)[C@@H]2C)C1 ZINC001050346824 760157478 /nfs/dbraw/zinc/15/74/78/760157478.db2.gz OLIGTUBWVUJTFX-VHDGCEQUSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC3(CN(C(=O)c4ccn[nH]4)C3)CC2)C1=O ZINC001050440530 760269323 /nfs/dbraw/zinc/26/93/23/760269323.db2.gz GGBIKCBYQIKNMQ-OAHLLOKOSA-N 1 1 343.431 0.735 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1c1ccc(C#N)nn1 ZINC001050455020 760290176 /nfs/dbraw/zinc/29/01/76/760290176.db2.gz QJVWITBITSFHAM-NFAWXSAZSA-N 1 1 328.420 0.773 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CN1C(=O)C#CC1CC1 ZINC001012590067 760358601 /nfs/dbraw/zinc/35/86/01/760358601.db2.gz IBLKTNSAALUFOY-OCCSQVGLSA-N 1 1 344.415 0.869 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CN1C(=O)C#CC1CC1 ZINC001012590065 760359014 /nfs/dbraw/zinc/35/90/14/760359014.db2.gz IBLKTNSAALUFOY-JSGCOSHPSA-N 1 1 344.415 0.869 20 30 ECEDMO N#CCN1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001050598384 760551255 /nfs/dbraw/zinc/55/12/55/760551255.db2.gz DXFDZYLMBHHNDU-CSLYMUCUSA-N 1 1 330.432 0.298 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC001127061948 760623934 /nfs/dbraw/zinc/62/39/34/760623934.db2.gz ZLTNRHHRQVLZHD-KGLIPLIRSA-N 1 1 342.403 0.467 20 30 ECEDMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C2 ZINC001048518708 760649670 /nfs/dbraw/zinc/64/96/70/760649670.db2.gz OTDBRPBSIMQSIV-HKCMKHECSA-N 1 1 329.404 0.733 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001048546142 760693247 /nfs/dbraw/zinc/69/32/47/760693247.db2.gz YHQIZIULGIJCPE-LVQVYYBASA-N 1 1 338.473 0.804 20 30 ECEDMO C=CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)CCC1 ZINC001048558822 760716558 /nfs/dbraw/zinc/71/65/58/760716558.db2.gz XTDCVMGGCPHZPM-PMPSAXMXSA-N 1 1 349.475 0.857 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C2)CC1 ZINC001050725478 760734319 /nfs/dbraw/zinc/73/43/19/760734319.db2.gz AGQJOMIFXHBUFH-UHFFFAOYSA-N 1 1 338.415 0.981 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1ccc(C#N)nn1 ZINC001048612532 760791346 /nfs/dbraw/zinc/79/13/46/760791346.db2.gz CILYLORZCJBIHU-ZNMIVQPWSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1ccc(C#N)nn1 ZINC001048612532 760791351 /nfs/dbraw/zinc/79/13/51/760791351.db2.gz CILYLORZCJBIHU-ZNMIVQPWSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C(C)(F)F)C[C@H]3C2)C1=O ZINC001048642510 760842649 /nfs/dbraw/zinc/84/26/49/760842649.db2.gz DTDZQMBBIUMGRP-FRRDWIJNSA-N 1 1 327.375 0.819 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC4N=NC(=O)N4C3)CCC[C@@H]12 ZINC000991445306 760975473 /nfs/dbraw/zinc/97/54/73/760975473.db2.gz HNFWSMFAWFXPEX-PMUMKWKESA-N 1 1 343.431 0.683 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cncs4)C[C@H]3C2)C1=O ZINC001048707794 760988550 /nfs/dbraw/zinc/98/85/50/760988550.db2.gz VFPJUVQDCJSFIE-HZSPNIEDSA-N 1 1 346.456 0.934 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCOC4)C[C@H]3C2)C1=O ZINC001048712729 761001387 /nfs/dbraw/zinc/00/13/87/761001387.db2.gz DTDXTIRMKWEVBO-CAOSSQGBSA-N 1 1 333.432 0.200 20 30 ECEDMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)nn1 ZINC001048750222 761109391 /nfs/dbraw/zinc/10/93/91/761109391.db2.gz UJVKOLDUTXTRFW-BETUJISGSA-N 1 1 325.376 0.219 20 30 ECEDMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)nn1 ZINC001048750222 761109395 /nfs/dbraw/zinc/10/93/95/761109395.db2.gz UJVKOLDUTXTRFW-BETUJISGSA-N 1 1 325.376 0.219 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@@H]1O ZINC001048758073 761123832 /nfs/dbraw/zinc/12/38/32/761123832.db2.gz WISZGTUVBALWLJ-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC000991481761 761150962 /nfs/dbraw/zinc/15/09/62/761150962.db2.gz JGLFZHSBVYXREV-UONOGXRCSA-N 1 1 334.420 0.482 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000991487205 761178247 /nfs/dbraw/zinc/17/82/47/761178247.db2.gz RMJWOAFSEVHZQA-SJORKVTESA-N 1 1 346.475 0.284 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC ZINC001212145900 761199719 /nfs/dbraw/zinc/19/97/19/761199719.db2.gz CZLREQRMQANMMB-IAGOWNOFSA-N 1 1 332.448 0.972 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001051089447 761471341 /nfs/dbraw/zinc/47/13/41/761471341.db2.gz LXMOAAFYEVKZND-HUUCEWRRSA-N 1 1 347.463 0.703 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001051089447 761471346 /nfs/dbraw/zinc/47/13/46/761471346.db2.gz LXMOAAFYEVKZND-HUUCEWRRSA-N 1 1 347.463 0.703 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)n1 ZINC001054573542 768046770 /nfs/dbraw/zinc/04/67/70/768046770.db2.gz OHFBJIYREBGJLI-XHDPSFHLSA-N 1 1 327.392 0.748 20 30 ECEDMO C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001051255870 761776401 /nfs/dbraw/zinc/77/64/01/761776401.db2.gz UIVVDSYMDRKQHJ-ZIAGYGMSSA-N 1 1 331.844 0.277 20 30 ECEDMO C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001051255870 761776406 /nfs/dbraw/zinc/77/64/06/761776406.db2.gz UIVVDSYMDRKQHJ-ZIAGYGMSSA-N 1 1 331.844 0.277 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001051314626 761876487 /nfs/dbraw/zinc/87/64/87/761876487.db2.gz PIDJZZSBQPSHKR-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNc2cccc(F)c2C#N)C1 ZINC001105914313 762714833 /nfs/dbraw/zinc/71/48/33/762714833.db2.gz UAXKTERLIUYJSN-CHWSQXEVSA-N 1 1 334.395 0.928 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccncc2C#N)C[C@@H]1O ZINC001051699608 762727452 /nfs/dbraw/zinc/72/74/52/762727452.db2.gz HNDCGDVLFNHRLP-HOCLYGCPSA-N 1 1 340.387 0.214 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCN(C(N)=O)C3)CCC[C@H]12 ZINC000991704453 762847219 /nfs/dbraw/zinc/84/72/19/762847219.db2.gz BNSNFAZPAMILOU-RVKKMQEKSA-N 1 1 332.448 0.914 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001051751551 762876808 /nfs/dbraw/zinc/87/68/08/762876808.db2.gz WMMKODBEVMVICH-HOTGVXAUSA-N 1 1 340.387 0.214 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001014703039 763014852 /nfs/dbraw/zinc/01/48/52/763014852.db2.gz YOGKOMJOGMHHHF-HIFRSBDPSA-N 1 1 332.404 0.503 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001014703039 763014854 /nfs/dbraw/zinc/01/48/54/763014854.db2.gz YOGKOMJOGMHHHF-HIFRSBDPSA-N 1 1 332.404 0.503 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017550284 768107321 /nfs/dbraw/zinc/10/73/21/768107321.db2.gz WNGAAPDHPKFVRR-KFWWJZLASA-N 1 1 341.415 0.461 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3=O)C2)c1 ZINC001014736623 763058672 /nfs/dbraw/zinc/05/86/72/763058672.db2.gz LFAYGOCJDNQERN-MRXNPFEDSA-N 1 1 342.399 0.108 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN3CCOCC3=O)C2)s1 ZINC001014738816 763064435 /nfs/dbraw/zinc/06/44/35/763064435.db2.gz AVCMMMDLKGLKPL-GFCCVEGCSA-N 1 1 348.428 0.169 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3=O)C2)s1 ZINC001014738816 763064439 /nfs/dbraw/zinc/06/44/39/763064439.db2.gz AVCMMMDLKGLKPL-GFCCVEGCSA-N 1 1 348.428 0.169 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046779461 763113650 /nfs/dbraw/zinc/11/36/50/763113650.db2.gz UAEBKFYXGQBDAY-YJBOKZPZSA-N 1 1 326.400 0.917 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCCNC3=O)C2)nc1 ZINC001046781588 763116715 /nfs/dbraw/zinc/11/67/15/763116715.db2.gz KAZZVUSUSIXQEB-MAUKXSAKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCCNC3=O)C2)nc1 ZINC001046781588 763116718 /nfs/dbraw/zinc/11/67/18/763116718.db2.gz KAZZVUSUSIXQEB-MAUKXSAKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001046782277 763119137 /nfs/dbraw/zinc/11/91/37/763119137.db2.gz XMLISVDHUAELGP-LJQANCHMSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001046782277 763119141 /nfs/dbraw/zinc/11/91/41/763119141.db2.gz XMLISVDHUAELGP-LJQANCHMSA-N 1 1 340.427 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(CCC)no2)C1 ZINC001014769245 763124809 /nfs/dbraw/zinc/12/48/09/763124809.db2.gz JKCLBSVPMIEPDW-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(CCC)no2)C1 ZINC001014769245 763124811 /nfs/dbraw/zinc/12/48/11/763124811.db2.gz JKCLBSVPMIEPDW-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO Cn1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)ncc1=O ZINC001031862631 763127232 /nfs/dbraw/zinc/12/72/32/763127232.db2.gz IXBAWQQTTVHEQE-UHFFFAOYSA-N 1 1 336.395 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnccc3C)C2)C1=O ZINC001014776877 763136661 /nfs/dbraw/zinc/13/66/61/763136661.db2.gz REZFNARSJWRPLG-IRXDYDNUSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cnccc3C)C2)C1=O ZINC001014776877 763136665 /nfs/dbraw/zinc/13/66/65/763136665.db2.gz REZFNARSJWRPLG-IRXDYDNUSA-N 1 1 342.443 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nn(CC)nc2C)C1 ZINC001014778330 763138725 /nfs/dbraw/zinc/13/87/25/763138725.db2.gz CVUHSDJCKQAIDJ-RDJZCZTQSA-N 1 1 344.463 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nn(CC)nc2C)C1 ZINC001014778330 763138732 /nfs/dbraw/zinc/13/87/32/763138732.db2.gz CVUHSDJCKQAIDJ-RDJZCZTQSA-N 1 1 344.463 0.395 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccn(CC)n2)C1 ZINC001014779136 763139219 /nfs/dbraw/zinc/13/92/19/763139219.db2.gz IZUNCLVFNMZRNJ-WBVHZDCISA-N 1 1 329.448 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccn(CC)n2)C1 ZINC001014779136 763139224 /nfs/dbraw/zinc/13/92/24/763139224.db2.gz IZUNCLVFNMZRNJ-WBVHZDCISA-N 1 1 329.448 0.691 20 30 ECEDMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)cc1=O ZINC001014783218 763145390 /nfs/dbraw/zinc/14/53/90/763145390.db2.gz APDRRDSBYAYEAF-HNNXBMFYSA-N 1 1 337.383 0.656 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C)n1 ZINC001089847586 763156338 /nfs/dbraw/zinc/15/63/38/763156338.db2.gz VTFTZXKWVLFMKU-YJNKXOJESA-N 1 1 330.436 0.959 20 30 ECEDMO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)cc1=O ZINC001014791896 763167966 /nfs/dbraw/zinc/16/79/66/763167966.db2.gz GYWPPACOGSFKPZ-INIZCTEOSA-N 1 1 336.395 0.636 20 30 ECEDMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1=O ZINC001014791896 763167975 /nfs/dbraw/zinc/16/79/75/763167975.db2.gz GYWPPACOGSFKPZ-INIZCTEOSA-N 1 1 336.395 0.636 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c(C)nc[nH]c1=O ZINC001089850963 763172022 /nfs/dbraw/zinc/17/20/22/763172022.db2.gz RRTCYGURQDBZLJ-YJNKXOJESA-N 1 1 326.400 0.906 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)cc1 ZINC000995056915 763234725 /nfs/dbraw/zinc/23/47/25/763234725.db2.gz SKWBJVLVGQPXEV-ZBFHGGJFSA-N 1 1 338.415 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncccn3)C2)cn1 ZINC001051909357 763305131 /nfs/dbraw/zinc/30/51/31/763305131.db2.gz SIYRLUAELCJMOO-INIZCTEOSA-N 1 1 337.383 0.484 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001046895336 763325720 /nfs/dbraw/zinc/32/57/20/763325720.db2.gz DTFDKRLCBZVKQO-DYVFJYSZSA-N 1 1 346.435 0.342 20 30 ECEDMO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCc3ccccc3C#N)C2)C1 ZINC001051931893 763370135 /nfs/dbraw/zinc/37/01/35/763370135.db2.gz IFHRCCZWBXYEMX-QZTJIDSGSA-N 1 1 342.443 0.827 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCc3ccccc3C#N)C2)C1 ZINC001051931893 763370140 /nfs/dbraw/zinc/37/01/40/763370140.db2.gz IFHRCCZWBXYEMX-QZTJIDSGSA-N 1 1 342.443 0.827 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)c1 ZINC001031896490 763422169 /nfs/dbraw/zinc/42/21/69/763422169.db2.gz HHFVQGBBKSMRKU-HOTGVXAUSA-N 1 1 326.400 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001046940077 763425968 /nfs/dbraw/zinc/42/59/68/763425968.db2.gz RMSDRNZNIZIQSP-FRRDWIJNSA-N 1 1 327.375 0.608 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001046940077 763425978 /nfs/dbraw/zinc/42/59/78/763425978.db2.gz RMSDRNZNIZIQSP-FRRDWIJNSA-N 1 1 327.375 0.608 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001046942824 763430452 /nfs/dbraw/zinc/43/04/52/763430452.db2.gz CILALQLDTRPLML-OLZOCXBDSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001046942824 763430457 /nfs/dbraw/zinc/43/04/57/763430457.db2.gz CILALQLDTRPLML-OLZOCXBDSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001046946178 763436564 /nfs/dbraw/zinc/43/65/64/763436564.db2.gz TYHMZRSJSWNKSE-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccc(OC)nc2)C1 ZINC001030462382 763438040 /nfs/dbraw/zinc/43/80/40/763438040.db2.gz UORIJROPTPTRQE-INIZCTEOSA-N 1 1 328.416 0.488 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccc(OC)nc2)C1 ZINC001030462382 763438046 /nfs/dbraw/zinc/43/80/46/763438046.db2.gz UORIJROPTPTRQE-INIZCTEOSA-N 1 1 328.416 0.488 20 30 ECEDMO C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046947958 763439735 /nfs/dbraw/zinc/43/97/35/763439735.db2.gz AAWRTZRQDIEAJE-MGPQQGTHSA-N 1 1 329.391 0.412 20 30 ECEDMO C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046947958 763439741 /nfs/dbraw/zinc/43/97/41/763439741.db2.gz AAWRTZRQDIEAJE-MGPQQGTHSA-N 1 1 329.391 0.412 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nc(CC)no2)C1 ZINC001030463795 763446696 /nfs/dbraw/zinc/44/66/96/763446696.db2.gz WRJBWTUNGNLELO-JSGCOSHPSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nc(CC)no2)C1 ZINC001030463795 763446701 /nfs/dbraw/zinc/44/67/01/763446701.db2.gz WRJBWTUNGNLELO-JSGCOSHPSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001046953896 763454070 /nfs/dbraw/zinc/45/40/70/763454070.db2.gz MRXFANOLWDPLQN-KGLIPLIRSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001046953896 763454073 /nfs/dbraw/zinc/45/40/73/763454073.db2.gz MRXFANOLWDPLQN-KGLIPLIRSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001046954133 763455149 /nfs/dbraw/zinc/45/51/49/763455149.db2.gz QIJFOYCMXWVAHF-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001046954133 763455154 /nfs/dbraw/zinc/45/51/54/763455154.db2.gz QIJFOYCMXWVAHF-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001046955387 763457121 /nfs/dbraw/zinc/45/71/21/763457121.db2.gz ZMNBVDKCECWXTB-KBPBESRZSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001046961360 763468765 /nfs/dbraw/zinc/46/87/65/763468765.db2.gz WGIWIHYCEWWASD-OLZOCXBDSA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001046961360 763468770 /nfs/dbraw/zinc/46/87/70/763468770.db2.gz WGIWIHYCEWWASD-OLZOCXBDSA-N 1 1 327.375 0.609 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046979915 763500713 /nfs/dbraw/zinc/50/07/13/763500713.db2.gz CJYZZLDSKAKGJQ-NSHDSACASA-N 1 1 336.346 0.997 20 30 ECEDMO C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046979915 763500722 /nfs/dbraw/zinc/50/07/22/763500722.db2.gz CJYZZLDSKAKGJQ-NSHDSACASA-N 1 1 336.346 0.997 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046982371 763505152 /nfs/dbraw/zinc/50/51/52/763505152.db2.gz OWRQQVYGXGBBDG-GFCCVEGCSA-N 1 1 348.357 0.835 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046982371 763505162 /nfs/dbraw/zinc/50/51/62/763505162.db2.gz OWRQQVYGXGBBDG-GFCCVEGCSA-N 1 1 348.357 0.835 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001046983743 763510735 /nfs/dbraw/zinc/51/07/35/763510735.db2.gz JAWUPRLIGPPACG-GFCCVEGCSA-N 1 1 338.358 0.824 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001046983743 763510742 /nfs/dbraw/zinc/51/07/42/763510742.db2.gz JAWUPRLIGPPACG-GFCCVEGCSA-N 1 1 338.358 0.824 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001046991677 763526074 /nfs/dbraw/zinc/52/60/74/763526074.db2.gz KARMGVBAFYAUKJ-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001046991677 763526082 /nfs/dbraw/zinc/52/60/82/763526082.db2.gz KARMGVBAFYAUKJ-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046994072 763531657 /nfs/dbraw/zinc/53/16/57/763531657.db2.gz BVLUNWYCSPTXHT-LLVKDONJSA-N 1 1 326.347 0.653 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001046995163 763534172 /nfs/dbraw/zinc/53/41/72/763534172.db2.gz NGRJLXTZNNUHCX-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001046995163 763534178 /nfs/dbraw/zinc/53/41/78/763534178.db2.gz NGRJLXTZNNUHCX-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046997077 763539458 /nfs/dbraw/zinc/53/94/58/763539458.db2.gz SVOUMRHODLWZTI-GFCCVEGCSA-N 1 1 338.358 0.491 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 ZINC001127691072 763544784 /nfs/dbraw/zinc/54/47/84/763544784.db2.gz XWOBKCZUCYKYBP-UHFFFAOYSA-N 1 1 328.420 0.943 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3csc(=O)[nH]3)C2)C1=O ZINC001031914330 763546344 /nfs/dbraw/zinc/54/63/44/763546344.db2.gz HQRBRLAMBVHRNG-LBPRGKRZSA-N 1 1 336.417 0.297 20 30 ECEDMO CCn1ccc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052031430 763632020 /nfs/dbraw/zinc/63/20/20/763632020.db2.gz OAENVIYRZDJFJC-INIZCTEOSA-N 1 1 330.436 0.188 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052032483 763635301 /nfs/dbraw/zinc/63/53/01/763635301.db2.gz HDUSFJOYWPMZKY-KRWDZBQOSA-N 1 1 329.448 0.123 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccn4nnnc34)C2)CC1 ZINC001052032438 763635376 /nfs/dbraw/zinc/63/53/76/763635376.db2.gz GTAAUUYJRBBVBT-AWEZNQCLSA-N 1 1 341.419 0.142 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccn4nnnc34)C2)CC1 ZINC001052032438 763635384 /nfs/dbraw/zinc/63/53/84/763635384.db2.gz GTAAUUYJRBBVBT-AWEZNQCLSA-N 1 1 341.419 0.142 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052036229 763647852 /nfs/dbraw/zinc/64/78/52/763647852.db2.gz ICFCFCCBHHVJAI-ZWKOTPCHSA-N 1 1 347.507 0.991 20 30 ECEDMO Cc1cc(OCC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)no1 ZINC001052037612 763656348 /nfs/dbraw/zinc/65/63/48/763656348.db2.gz OIVPYSWMCDQNKB-CQSZACIVSA-N 1 1 333.392 0.104 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCc4nccn4C3)C2)CC1 ZINC001052044026 763677163 /nfs/dbraw/zinc/67/71/63/763677163.db2.gz BCZGZSUTCVXJHF-DLBZAZTESA-N 1 1 341.459 0.297 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CCC(C(N)=O)CC3)C2)CC1 ZINC001052045188 763682242 /nfs/dbraw/zinc/68/22/42/763682242.db2.gz RDXDVBRXRSYZNQ-OFLPRAFFSA-N 1 1 348.491 0.683 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C3CCC(C(N)=O)CC3)C2)CC1 ZINC001052045188 763682246 /nfs/dbraw/zinc/68/22/46/763682246.db2.gz RDXDVBRXRSYZNQ-OFLPRAFFSA-N 1 1 348.491 0.683 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3snnc3CC)C2)CC1 ZINC001052047285 763689822 /nfs/dbraw/zinc/68/98/22/763689822.db2.gz LBQDUZZKXSCGDI-CQSZACIVSA-N 1 1 347.488 0.956 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(OC)nc3)C2)CC1 ZINC001052047568 763691419 /nfs/dbraw/zinc/69/14/19/763691419.db2.gz RAXVDQPORMNOBP-INIZCTEOSA-N 1 1 328.416 0.556 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC001052048555 763697996 /nfs/dbraw/zinc/69/79/96/763697996.db2.gz XOSJWKQKWWYEPB-AWEZNQCLSA-N 1 1 327.432 0.364 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc(OC)c3)C2)CC1 ZINC001052048605 763698085 /nfs/dbraw/zinc/69/80/85/763698085.db2.gz YWWHLTDATGOAGO-KRWDZBQOSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CC1 ZINC001052055787 763724840 /nfs/dbraw/zinc/72/48/40/763724840.db2.gz PWYKXQCFTIGSOV-XWTMOSNGSA-N 1 1 349.475 0.442 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CC1 ZINC001052055787 763724847 /nfs/dbraw/zinc/72/48/47/763724847.db2.gz PWYKXQCFTIGSOV-XWTMOSNGSA-N 1 1 349.475 0.442 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CC1 ZINC001052055755 763724961 /nfs/dbraw/zinc/72/49/61/763724961.db2.gz PWYKXQCFTIGSOV-XLAORIBOSA-N 1 1 349.475 0.442 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CC1 ZINC001052055755 763724968 /nfs/dbraw/zinc/72/49/68/763724968.db2.gz PWYKXQCFTIGSOV-XLAORIBOSA-N 1 1 349.475 0.442 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3nccn3C)C2)CC1 ZINC001052057109 763729568 /nfs/dbraw/zinc/72/95/68/763729568.db2.gz LGQJMPJXRHZIHI-QGZVFWFLSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H](C)n3ccc(C)n3)C2)CC1 ZINC001052060479 763741839 /nfs/dbraw/zinc/74/18/39/763741839.db2.gz FREUALZBTAUJGC-QZTJIDSGSA-N 1 1 343.475 0.994 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnc(OC)c3)C2)C1=O ZINC001015051517 763755683 /nfs/dbraw/zinc/75/56/83/763755683.db2.gz BMNMFMKXMGYWLZ-CABCVRRESA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccnc(OC)c3)C2)C1=O ZINC001015051517 763755686 /nfs/dbraw/zinc/75/56/86/763755686.db2.gz BMNMFMKXMGYWLZ-CABCVRRESA-N 1 1 344.415 0.681 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ncccc3OC)C2)CC1 ZINC001052068427 763761914 /nfs/dbraw/zinc/76/19/14/763761914.db2.gz IQIYMVKLDBGPHI-MRXNPFEDSA-N 1 1 342.443 0.484 20 30 ECEDMO COc1cccnc1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052069193 763764683 /nfs/dbraw/zinc/76/46/83/763764683.db2.gz SNXQXJZSIZRMAV-HNNXBMFYSA-N 1 1 343.431 0.375 20 30 ECEDMO C=C1CCC(C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001031951840 763764937 /nfs/dbraw/zinc/76/49/37/763764937.db2.gz QHFJWOAAKKCSPS-UHFFFAOYSA-N 1 1 334.420 0.333 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3cncnc3)C2)CC1 ZINC001052070023 763766727 /nfs/dbraw/zinc/76/67/27/763766727.db2.gz ATEOTKWRPHDNJR-NVXWUHKLSA-N 1 1 329.448 0.985 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)c3cncnc3)C2)CC1 ZINC001052070023 763766729 /nfs/dbraw/zinc/76/67/29/763766729.db2.gz ATEOTKWRPHDNJR-NVXWUHKLSA-N 1 1 329.448 0.985 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052073992 763778270 /nfs/dbraw/zinc/77/82/70/763778270.db2.gz RFBPQYZYEWFMFJ-GOSISDBHSA-N 1 1 332.492 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3n[nH]c4c3CCC4)C2)C1=O ZINC001015069274 763802935 /nfs/dbraw/zinc/80/29/35/763802935.db2.gz FIFONZZYIPANCQ-SWLSCSKDSA-N 1 1 343.431 0.489 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]c4c3CCC4)C2)C1=O ZINC001015069274 763802943 /nfs/dbraw/zinc/80/29/43/763802943.db2.gz FIFONZZYIPANCQ-SWLSCSKDSA-N 1 1 343.431 0.489 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)CC1 ZINC001052084261 763807913 /nfs/dbraw/zinc/80/79/13/763807913.db2.gz UDWKOOCPOTUCJY-CYBMUJFWSA-N 1 1 331.420 0.132 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)CC1 ZINC001052084261 763807923 /nfs/dbraw/zinc/80/79/23/763807923.db2.gz UDWKOOCPOTUCJY-CYBMUJFWSA-N 1 1 331.420 0.132 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cncc(OC)n3)C2)CC1 ZINC001052092818 763834279 /nfs/dbraw/zinc/83/42/79/763834279.db2.gz FACXSIAJHZQTOP-CQSZACIVSA-N 1 1 331.420 0.503 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4cccnn34)C2)CC1 ZINC001052093064 763835413 /nfs/dbraw/zinc/83/54/13/763835413.db2.gz JVZIFBIFAZQNNN-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCCNC3=O)C2)cc1 ZINC001015081676 763837396 /nfs/dbraw/zinc/83/73/96/763837396.db2.gz PTKWYEJDNCELOW-MRXNPFEDSA-N 1 1 341.415 0.664 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)COC3CCOCC3)C2)CC1 ZINC001052093610 763837769 /nfs/dbraw/zinc/83/77/69/763837769.db2.gz OFYCLKITNLWDAE-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)COC3CCOCC3)C2)CC1 ZINC001052093610 763837776 /nfs/dbraw/zinc/83/77/76/763837776.db2.gz OFYCLKITNLWDAE-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052106017 763878194 /nfs/dbraw/zinc/87/81/94/763878194.db2.gz ZFBIXLBHLWINCE-KRWDZBQOSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052106017 763878201 /nfs/dbraw/zinc/87/82/01/763878201.db2.gz ZFBIXLBHLWINCE-KRWDZBQOSA-N 1 1 329.448 0.814 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106272 763880595 /nfs/dbraw/zinc/88/05/95/763880595.db2.gz GXAOJAQMNQOPPW-MJGOQNOKSA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001017596731 768171948 /nfs/dbraw/zinc/17/19/48/768171948.db2.gz MFWMXPPLOLHQDW-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001017596731 768171950 /nfs/dbraw/zinc/17/19/50/768171950.db2.gz MFWMXPPLOLHQDW-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnc(OC)nc3)C2)nn1 ZINC001098761141 763885532 /nfs/dbraw/zinc/88/55/32/763885532.db2.gz BDOFDFDRQGJMBA-CQSZACIVSA-N 1 1 343.391 0.440 20 30 ECEDMO CN(C(=O)c1cnccn1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047286008 763886092 /nfs/dbraw/zinc/88/60/92/763886092.db2.gz AAXMQKIARYOIMN-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)c1cnccn1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047286008 763886097 /nfs/dbraw/zinc/88/60/97/763886097.db2.gz AAXMQKIARYOIMN-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)CC1 ZINC001052109251 763895454 /nfs/dbraw/zinc/89/54/54/763895454.db2.gz ZJYBTRYYXPTVRQ-CQSZACIVSA-N 1 1 346.431 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)CC1 ZINC001052109251 763895464 /nfs/dbraw/zinc/89/54/64/763895464.db2.gz ZJYBTRYYXPTVRQ-CQSZACIVSA-N 1 1 346.431 0.814 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)CC1 ZINC001052113258 763911338 /nfs/dbraw/zinc/91/13/38/763911338.db2.gz QPBDXAHNLHOCBZ-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3ccc(C(N)=O)[nH]3)C2)c1 ZINC001031978126 763921444 /nfs/dbraw/zinc/92/14/44/763921444.db2.gz OXKBCRZHVNIRRO-UHFFFAOYSA-N 1 1 337.383 0.847 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2)CC1 ZINC001052117041 763925094 /nfs/dbraw/zinc/92/50/94/763925094.db2.gz DVYLYUGIQTZCDH-MRXNPFEDSA-N 1 1 346.406 0.947 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C2)CC1 ZINC001052117277 763926637 /nfs/dbraw/zinc/92/66/37/763926637.db2.gz COGNSRICUYYYIU-MRXNPFEDSA-N 1 1 343.431 0.199 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001052119314 763936319 /nfs/dbraw/zinc/93/63/19/763936319.db2.gz OXAPRMGONNROOV-MSOLQXFVSA-N 1 1 332.492 0.713 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(C#N)nn3)C[C@@]2(C)C1 ZINC001052234456 764106241 /nfs/dbraw/zinc/10/62/41/764106241.db2.gz RRSXWBMFCSWJNF-XUWXXGDYSA-N 1 1 340.431 0.727 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001089867204 764167449 /nfs/dbraw/zinc/16/74/49/764167449.db2.gz HOUQFCYJWYYDJM-LOUJCGABSA-N 1 1 340.427 0.919 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001106057600 764182946 /nfs/dbraw/zinc/18/29/46/764182946.db2.gz DCWBQDLNBSROAD-KGLIPLIRSA-N 1 1 332.408 0.030 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001106975783 764184166 /nfs/dbraw/zinc/18/41/66/764184166.db2.gz FXGUIDGLTSQWGD-HUUCEWRRSA-N 1 1 344.419 0.472 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001106975829 764184367 /nfs/dbraw/zinc/18/43/67/764184367.db2.gz HHKCVQYYKFNCNO-WBVHZDCISA-N 1 1 343.431 0.499 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001047402491 764228627 /nfs/dbraw/zinc/22/86/27/764228627.db2.gz OOFPSUXPOURQJY-KKUMJFAQSA-N 1 1 337.464 0.713 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052313740 764233470 /nfs/dbraw/zinc/23/34/70/764233470.db2.gz CCXQRRSLYNJIPU-CYBMUJFWSA-N 1 1 327.392 0.799 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052313740 764233477 /nfs/dbraw/zinc/23/34/77/764233477.db2.gz CCXQRRSLYNJIPU-CYBMUJFWSA-N 1 1 327.392 0.799 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001032039951 764241456 /nfs/dbraw/zinc/24/14/56/764241456.db2.gz KFFMHVPWBRQFRY-XHSDSOJGSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001047409072 764254425 /nfs/dbraw/zinc/25/44/25/764254425.db2.gz OEUDYGUTBGKXNU-RYUDHWBXSA-N 1 1 344.371 0.377 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)c2cnnn2C)C1 ZINC000995266874 764257328 /nfs/dbraw/zinc/25/73/28/764257328.db2.gz NJMYNZNGWNPELH-MRXNPFEDSA-N 1 1 338.415 0.808 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001047410748 764260745 /nfs/dbraw/zinc/26/07/45/764260745.db2.gz OYAZIHLPELNJGW-JYJNAYRXSA-N 1 1 329.400 0.203 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001047410748 764260752 /nfs/dbraw/zinc/26/07/52/764260752.db2.gz OYAZIHLPELNJGW-JYJNAYRXSA-N 1 1 329.400 0.203 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001047411877 764262313 /nfs/dbraw/zinc/26/23/13/764262313.db2.gz GKGFFYWUEKKWSN-KBPBESRZSA-N 1 1 345.399 0.711 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001047412768 764264648 /nfs/dbraw/zinc/26/46/48/764264648.db2.gz GSRVWMLSEWCRHG-IRXDYDNUSA-N 1 1 341.411 0.251 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001047412768 764264651 /nfs/dbraw/zinc/26/46/51/764264651.db2.gz GSRVWMLSEWCRHG-IRXDYDNUSA-N 1 1 341.411 0.251 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cncnc3)CC2)C1=O ZINC001052332725 764278471 /nfs/dbraw/zinc/27/84/71/764278471.db2.gz YELGRGNJZFLIKF-HOTGVXAUSA-N 1 1 343.431 0.848 20 30 ECEDMO C=C(Br)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778472 764286470 /nfs/dbraw/zinc/28/64/70/764286470.db2.gz NWBVEOCLNBNKSP-UPJWGTAASA-N 1 1 346.269 0.541 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001047419964 764290190 /nfs/dbraw/zinc/29/01/90/764290190.db2.gz WYGHRJKZFALYCY-KBPBESRZSA-N 1 1 332.404 0.753 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001047421636 764295341 /nfs/dbraw/zinc/29/53/41/764295341.db2.gz MDXDXXMEWKJVJR-KBPBESRZSA-N 1 1 344.419 0.516 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001047432768 764329562 /nfs/dbraw/zinc/32/95/62/764329562.db2.gz HBUMBOLRYCCQLD-HOTGVXAUSA-N 1 1 343.431 0.217 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001047441591 764356801 /nfs/dbraw/zinc/35/68/01/764356801.db2.gz IPQBKZZSXODSBH-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001032057800 764360880 /nfs/dbraw/zinc/36/08/80/764360880.db2.gz VXIWQFLOLRKNEX-CQSZACIVSA-N 1 1 331.420 0.475 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001052377530 764362477 /nfs/dbraw/zinc/36/24/77/764362477.db2.gz BESLBCMLGSBQSI-INIZCTEOSA-N 1 1 339.403 0.716 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C(F)(F)F)n2)C1 ZINC001047445297 764367311 /nfs/dbraw/zinc/36/73/11/764367311.db2.gz RWAKZNINBWOXQW-QWRGUYRKSA-N 1 1 331.294 0.834 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001077479281 764369318 /nfs/dbraw/zinc/36/93/18/764369318.db2.gz ZNGRTXJUHDKRTI-HUUCEWRRSA-N 1 1 325.372 0.066 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001047450127 764381845 /nfs/dbraw/zinc/38/18/45/764381845.db2.gz QRABGVCHFMBFLM-HOTGVXAUSA-N 1 1 334.391 0.904 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001047450127 764381853 /nfs/dbraw/zinc/38/18/53/764381853.db2.gz QRABGVCHFMBFLM-HOTGVXAUSA-N 1 1 334.391 0.904 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1C ZINC001088894977 764389152 /nfs/dbraw/zinc/38/91/52/764389152.db2.gz BIHZDGNUOHQKHH-KGLIPLIRSA-N 1 1 344.419 0.436 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccn(CC)n3)[C@H]2C)C1=O ZINC001088897741 764392876 /nfs/dbraw/zinc/39/28/76/764392876.db2.gz VLOHAHRYPUKDPJ-IJEWVQPXSA-N 1 1 345.447 0.883 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccn(CC)n3)[C@H]2C)C1=O ZINC001088897741 764392884 /nfs/dbraw/zinc/39/28/84/764392884.db2.gz VLOHAHRYPUKDPJ-IJEWVQPXSA-N 1 1 345.447 0.883 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001047455921 764398733 /nfs/dbraw/zinc/39/87/33/764398733.db2.gz HEJSYHDQKKNEPV-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001047455921 764398740 /nfs/dbraw/zinc/39/87/40/764398740.db2.gz HEJSYHDQKKNEPV-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnnn3c2)C1 ZINC001047458107 764405207 /nfs/dbraw/zinc/40/52/07/764405207.db2.gz XHOPHSZXRUZMCG-KBPBESRZSA-N 1 1 330.392 0.208 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nccnc3C)[C@@H]2C)nn1 ZINC001088906990 764419153 /nfs/dbraw/zinc/41/91/53/764419153.db2.gz VWAASVCCTFLLNS-KGLIPLIRSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nccnc3C)[C@@H]2C)nn1 ZINC001088906990 764419163 /nfs/dbraw/zinc/41/91/63/764419163.db2.gz VWAASVCCTFLLNS-KGLIPLIRSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)c3)[C@@H]2C)nn1 ZINC001088910690 764428506 /nfs/dbraw/zinc/42/85/06/764428506.db2.gz AJTVHBXTODZTPV-HIFRSBDPSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)[C@@H]2C)nn1 ZINC001088910690 764428510 /nfs/dbraw/zinc/42/85/10/764428510.db2.gz AJTVHBXTODZTPV-HIFRSBDPSA-N 1 1 343.435 0.981 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001047472825 764441893 /nfs/dbraw/zinc/44/18/93/764441893.db2.gz GJSZPOQUHYACMT-SNPRPXQTSA-N 1 1 332.404 0.054 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001047472825 764441898 /nfs/dbraw/zinc/44/18/98/764441898.db2.gz GJSZPOQUHYACMT-SNPRPXQTSA-N 1 1 332.404 0.054 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001047473578 764444609 /nfs/dbraw/zinc/44/46/09/764444609.db2.gz UBZVWRXLDOQLAN-QEJZJMRPSA-N 1 1 332.404 0.054 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3nc(C)oc3C)C2)C1=O ZINC001032070061 764448132 /nfs/dbraw/zinc/44/81/32/764448132.db2.gz JREDMAQFLWQWFR-AWEZNQCLSA-N 1 1 332.404 0.740 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1C ZINC001088915190 764448542 /nfs/dbraw/zinc/44/85/42/764448542.db2.gz NPFZCQPPVOBGQS-QGXCKBJSSA-N 1 1 334.420 0.520 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001047476179 764452306 /nfs/dbraw/zinc/45/23/06/764452306.db2.gz BHVNMJLUSYESLH-IRXDYDNUSA-N 1 1 328.412 0.691 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001047478464 764461561 /nfs/dbraw/zinc/46/15/61/764461561.db2.gz VMYTZJHMSXLQGS-HOTGVXAUSA-N 1 1 341.415 0.417 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001047478464 764461566 /nfs/dbraw/zinc/46/15/66/764461566.db2.gz VMYTZJHMSXLQGS-HOTGVXAUSA-N 1 1 341.415 0.417 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001047479127 764464389 /nfs/dbraw/zinc/46/43/89/764464389.db2.gz BAMCBNJMQKQKFT-HOTGVXAUSA-N 1 1 341.415 0.351 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001047479127 764464392 /nfs/dbraw/zinc/46/43/92/764464392.db2.gz BAMCBNJMQKQKFT-HOTGVXAUSA-N 1 1 341.415 0.351 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001047479638 764466296 /nfs/dbraw/zinc/46/62/96/764466296.db2.gz VTBMXJDGGUDABU-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001047479638 764466298 /nfs/dbraw/zinc/46/62/98/764466298.db2.gz VTBMXJDGGUDABU-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CNC(=O)C1 ZINC001015376100 764473773 /nfs/dbraw/zinc/47/37/73/764473773.db2.gz LWJZEROCPZOWLO-BDJLRTHQSA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CNC(=O)C1 ZINC001015376100 764473778 /nfs/dbraw/zinc/47/37/78/764473778.db2.gz LWJZEROCPZOWLO-BDJLRTHQSA-N 1 1 332.429 0.836 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1CCOCC1 ZINC001089873323 764479426 /nfs/dbraw/zinc/47/94/26/764479426.db2.gz AHORNQXHOJYDPF-RDGPPVDQSA-N 1 1 345.487 0.901 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)ncn3C)C1 ZINC001047483532 764482666 /nfs/dbraw/zinc/48/26/66/764482666.db2.gz PFRZEHRLBQEMSO-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)ncn3C)C1 ZINC001047483787 764482765 /nfs/dbraw/zinc/48/27/65/764482765.db2.gz SUXSFXMEYYURTF-GJZGRUSLSA-N 1 1 329.404 0.662 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC001052439008 764498118 /nfs/dbraw/zinc/49/81/18/764498118.db2.gz GGZDSUQRLFYWFC-GJZGRUSLSA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC001052439008 764498129 /nfs/dbraw/zinc/49/81/29/764498129.db2.gz GGZDSUQRLFYWFC-GJZGRUSLSA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC001052438816 764498593 /nfs/dbraw/zinc/49/85/93/764498593.db2.gz CAEPNLQHVDZAHS-GJZGRUSLSA-N 1 1 326.462 0.948 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001047503899 764534859 /nfs/dbraw/zinc/53/48/59/764534859.db2.gz PHXHDUPDNAUSLK-JQFCIGGWSA-N 1 1 347.463 0.390 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccn(C)n2)CC1 ZINC001052456554 764537223 /nfs/dbraw/zinc/53/72/23/764537223.db2.gz HHGGVLPOXSEGDZ-WMZOPIPTSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccn(C)n2)CC1 ZINC001052456554 764537232 /nfs/dbraw/zinc/53/72/32/764537232.db2.gz HHGGVLPOXSEGDZ-WMZOPIPTSA-N 1 1 343.475 0.988 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001047505550 764540227 /nfs/dbraw/zinc/54/02/27/764540227.db2.gz KYVOYBYGLDHHAE-QEJZJMRPSA-N 1 1 333.436 0.694 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2ncn3C)C1 ZINC001047523310 764584957 /nfs/dbraw/zinc/58/49/57/764584957.db2.gz WEROEXSHMKERGA-KBPBESRZSA-N 1 1 329.404 0.662 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089876558 764607612 /nfs/dbraw/zinc/60/76/12/764607612.db2.gz ULGNMUDJHUORNS-UKMLZYKCSA-N 1 1 343.427 0.231 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC1 ZINC001052493587 764614777 /nfs/dbraw/zinc/61/47/77/764614777.db2.gz ZMWPKSLXYUQCNA-HNNXBMFYSA-N 1 1 328.416 0.717 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccn3ccnc23)C1 ZINC001047534285 764621249 /nfs/dbraw/zinc/62/12/49/764621249.db2.gz VRFLKBDOBHEBRV-KBPBESRZSA-N 1 1 329.404 0.813 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001052500298 764623464 /nfs/dbraw/zinc/62/34/64/764623464.db2.gz DZNLKILNYKTIGD-GFCCVEGCSA-N 1 1 327.406 0.697 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn(C)c3c2CCCC3)C1 ZINC001047537415 764627702 /nfs/dbraw/zinc/62/77/02/764627702.db2.gz IMWQMRZDDNRMNI-HOTGVXAUSA-N 1 1 330.432 0.439 20 30 ECEDMO CN(C(=O)c1ccnnc1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047542243 764641674 /nfs/dbraw/zinc/64/16/74/764641674.db2.gz VBZOKTFYKIKVIZ-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)c1ccnnc1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047542243 764641676 /nfs/dbraw/zinc/64/16/76/764641676.db2.gz VBZOKTFYKIKVIZ-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)nn(C)c3C)C2)C1=O ZINC001015447664 764658719 /nfs/dbraw/zinc/65/87/19/764658719.db2.gz SDKQQNWAXNRVSY-HUUCEWRRSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)nn(C)c3C)C2)C1=O ZINC001015447664 764658727 /nfs/dbraw/zinc/65/87/27/764658727.db2.gz SDKQQNWAXNRVSY-HUUCEWRRSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc4c([nH]3)CCC4)C2)C1=O ZINC001032121400 764682656 /nfs/dbraw/zinc/68/26/56/764682656.db2.gz UUPFBQXPECYQHB-KRWDZBQOSA-N 1 1 342.443 0.952 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001077482921 764692207 /nfs/dbraw/zinc/69/22/07/764692207.db2.gz JSSZWYTWEICKMW-CHWSQXEVSA-N 1 1 327.306 0.899 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)NCC ZINC001099074881 764700293 /nfs/dbraw/zinc/70/02/93/764700293.db2.gz SGQPQAWPHFZOCF-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)NCC ZINC001099074881 764700302 /nfs/dbraw/zinc/70/03/02/764700302.db2.gz SGQPQAWPHFZOCF-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001047564041 764701698 /nfs/dbraw/zinc/70/16/98/764701698.db2.gz KSNWCHVMPMWAKW-GJZGRUSLSA-N 1 1 342.403 0.356 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC001052534045 764708377 /nfs/dbraw/zinc/70/83/77/764708377.db2.gz BJFSGDYFXYPXIW-HNNXBMFYSA-N 1 1 332.448 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC001052534045 764708385 /nfs/dbraw/zinc/70/83/85/764708385.db2.gz BJFSGDYFXYPXIW-HNNXBMFYSA-N 1 1 332.448 0.979 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001052536610 764712631 /nfs/dbraw/zinc/71/26/31/764712631.db2.gz GOBMNVMFRLDQEO-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001052536610 764712640 /nfs/dbraw/zinc/71/26/40/764712640.db2.gz GOBMNVMFRLDQEO-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001060409106 764753008 /nfs/dbraw/zinc/75/30/08/764753008.db2.gz UQHNUBGLIZHNLQ-IRXDYDNUSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001060409105 764754004 /nfs/dbraw/zinc/75/40/04/764754004.db2.gz UQHNUBGLIZHNLQ-IAGOWNOFSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001060409107 764754017 /nfs/dbraw/zinc/75/40/17/764754017.db2.gz UQHNUBGLIZHNLQ-SJORKVTESA-N 1 1 349.475 0.723 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001047591318 764803639 /nfs/dbraw/zinc/80/36/39/764803639.db2.gz VUSSXUZBMCYKOO-HOTGVXAUSA-N 1 1 345.403 0.613 20 30 ECEDMO C=CCOCC(=O)N(C)C[C@@H](O)CN(C)c1cc(C)[nH+]c(CC)n1 ZINC001124987742 764832254 /nfs/dbraw/zinc/83/22/54/764832254.db2.gz DAFDTHQSOSWDSL-AWEZNQCLSA-N 1 1 336.436 0.806 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001052600470 764833163 /nfs/dbraw/zinc/83/31/63/764833163.db2.gz YIODZPSBOXBNCK-JKSUJKDBSA-N 1 1 337.464 0.579 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ccc(C)nc23)C1 ZINC001047599001 764834913 /nfs/dbraw/zinc/83/49/13/764834913.db2.gz CYMVJCMQUXWVDC-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ccc(C)nc23)C1 ZINC001047599001 764834920 /nfs/dbraw/zinc/83/49/20/764834920.db2.gz CYMVJCMQUXWVDC-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001052608301 764841236 /nfs/dbraw/zinc/84/12/36/764841236.db2.gz HPFOSOJPTVWBIF-ZDUSSCGKSA-N 1 1 344.423 0.854 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001047602090 764846388 /nfs/dbraw/zinc/84/63/88/764846388.db2.gz YVTDSQCAPWDCBZ-IRXDYDNUSA-N 1 1 329.400 0.324 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001047602090 764846390 /nfs/dbraw/zinc/84/63/90/764846390.db2.gz YVTDSQCAPWDCBZ-IRXDYDNUSA-N 1 1 329.400 0.324 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)nc1 ZINC001047602063 764846563 /nfs/dbraw/zinc/84/65/63/764846563.db2.gz XTOAJIKUVUEZEK-SZMVWBNQSA-N 1 1 343.427 0.749 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)nc1 ZINC001047601914 764846702 /nfs/dbraw/zinc/84/67/02/764846702.db2.gz PVFSOMFGVRWJOY-PVAVHDDUSA-N 1 1 329.400 0.217 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnn(C)c3c2)C1 ZINC001047609919 764871268 /nfs/dbraw/zinc/87/12/68/764871268.db2.gz NQDZYBHIFKZQKY-HOTGVXAUSA-N 1 1 327.388 0.109 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc3onc(C)c32)[C@@H](O)C1 ZINC001083679149 764880905 /nfs/dbraw/zinc/88/09/05/764880905.db2.gz WLLZXEMKQUCFCA-KGLIPLIRSA-N 1 1 328.372 0.638 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001047613567 764882495 /nfs/dbraw/zinc/88/24/95/764882495.db2.gz JIYCRIMPBTYHFX-ROUUACIJSA-N 1 1 327.428 0.819 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccc[nH]3)[C@H]2C)C1=O ZINC001089052852 764901663 /nfs/dbraw/zinc/90/16/63/764901663.db2.gz AMRQALTYYKCROX-VNQPRFMTSA-N 1 1 330.432 0.923 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047623823 764910471 /nfs/dbraw/zinc/91/04/71/764910471.db2.gz AUGBEQZLTZLIEQ-PVAVHDDUSA-N 1 1 347.459 0.304 20 30 ECEDMO C=CCCOCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001052641102 764916854 /nfs/dbraw/zinc/91/68/54/764916854.db2.gz KVGIWVOBVYRHST-ZBFHGGJFSA-N 1 1 348.447 0.995 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CCn3cncn3)[C@@H]2C)CC1 ZINC001089059819 764917003 /nfs/dbraw/zinc/91/70/03/764917003.db2.gz CYBTUQODTGTVOO-WBVHZDCISA-N 1 1 344.463 0.202 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001052642908 764923012 /nfs/dbraw/zinc/92/30/12/764923012.db2.gz VXOMSCHRPRSDTJ-CJNGLKHVSA-N 1 1 328.416 0.816 20 30 ECEDMO C#CCN1CC[C@]2(NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991955216 764931122 /nfs/dbraw/zinc/93/11/22/764931122.db2.gz LUPSVRIZTLGMCF-LRRCMKHOSA-N 1 1 329.444 0.596 20 30 ECEDMO C#CCN1CC[C@]2(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991955216 764931124 /nfs/dbraw/zinc/93/11/24/764931124.db2.gz LUPSVRIZTLGMCF-LRRCMKHOSA-N 1 1 329.444 0.596 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3[nH]cnc3CC)C2)nn1 ZINC001098774078 764931143 /nfs/dbraw/zinc/93/11/43/764931143.db2.gz MTLPKIASYWPFOQ-ZDUSSCGKSA-N 1 1 329.408 0.926 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1=O ZINC001015548014 764931710 /nfs/dbraw/zinc/93/17/10/764931710.db2.gz LMMVBRCNXSJDEV-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1=O ZINC001015548014 764931719 /nfs/dbraw/zinc/93/17/19/764931719.db2.gz LMMVBRCNXSJDEV-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)nc[nH]c3=O)C2)C1=O ZINC001015586495 765004869 /nfs/dbraw/zinc/00/48/69/765004869.db2.gz IDAKGPZIIZNFMO-STQMWFEESA-N 1 1 345.403 0.082 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)nc[nH]c3=O)C2)C1=O ZINC001015586495 765004873 /nfs/dbraw/zinc/00/48/73/765004873.db2.gz IDAKGPZIIZNFMO-STQMWFEESA-N 1 1 345.403 0.082 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC001052699841 765006428 /nfs/dbraw/zinc/00/64/28/765006428.db2.gz CTHYISCLPWKGJN-NSHDSACASA-N 1 1 341.437 0.218 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@@H]12 ZINC000991977399 765032411 /nfs/dbraw/zinc/03/24/11/765032411.db2.gz UFIKQUFEOXINPK-VBQJREDUSA-N 1 1 327.388 0.112 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cc4c(=O)[nH]c(C)cn4n3)CCC[C@@H]12 ZINC000991990761 765083577 /nfs/dbraw/zinc/08/35/77/765083577.db2.gz ABIYPNXTHHQLMJ-QAPCUYQASA-N 1 1 339.399 0.691 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001099102930 765101143 /nfs/dbraw/zinc/10/11/43/765101143.db2.gz RNMDXLJYMQGOPD-AWEZNQCLSA-N 1 1 343.493 0.815 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)c1 ZINC001015679156 765150211 /nfs/dbraw/zinc/15/02/11/765150211.db2.gz VHIPYMIAYHUVCM-KRWDZBQOSA-N 1 1 336.395 0.766 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC1 ZINC001052822328 765183256 /nfs/dbraw/zinc/18/32/56/765183256.db2.gz GUXKMBQLMKEMIM-MRXNPFEDSA-N 1 1 330.432 0.854 20 30 ECEDMO C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001052825320 765185758 /nfs/dbraw/zinc/18/57/58/765185758.db2.gz ZRZJGPUQWZDXBQ-FVQBIDKESA-N 1 1 343.431 0.472 20 30 ECEDMO C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001052825320 765185760 /nfs/dbraw/zinc/18/57/60/765185760.db2.gz ZRZJGPUQWZDXBQ-FVQBIDKESA-N 1 1 343.431 0.472 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC001052849097 765222312 /nfs/dbraw/zinc/22/23/12/765222312.db2.gz MBZMGPTWNSSABU-OAHLLOKOSA-N 1 1 345.447 0.375 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001015718830 765232143 /nfs/dbraw/zinc/23/21/43/765232143.db2.gz ZQUFNHPXVALSCX-CABCVRRESA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001015718830 765232150 /nfs/dbraw/zinc/23/21/50/765232150.db2.gz ZQUFNHPXVALSCX-CABCVRRESA-N 1 1 331.420 0.169 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001052866565 765253524 /nfs/dbraw/zinc/25/35/24/765253524.db2.gz ZFFNRBZXOYDIMR-LBPRGKRZSA-N 1 1 328.376 0.025 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000992045761 765269206 /nfs/dbraw/zinc/26/92/06/765269206.db2.gz AZARHVODCIEUEZ-UHFFFAOYSA-N 1 1 340.387 0.716 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001015795288 765332667 /nfs/dbraw/zinc/33/26/67/765332667.db2.gz NXCLWIJOZSZQSJ-HIFRSBDPSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001015795288 765332674 /nfs/dbraw/zinc/33/26/74/765332674.db2.gz NXCLWIJOZSZQSJ-HIFRSBDPSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001052928680 765365532 /nfs/dbraw/zinc/36/55/32/765365532.db2.gz GOMRGDWESDFBBH-OAHLLOKOSA-N 1 1 343.493 0.264 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001015822571 765386676 /nfs/dbraw/zinc/38/66/76/765386676.db2.gz JEAOLVDIZBZISD-XYJFISCASA-N 1 1 340.427 0.815 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001015823712 765387530 /nfs/dbraw/zinc/38/75/30/765387530.db2.gz XSLCENBJNKYBHG-CQSZACIVSA-N 1 1 334.424 0.336 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001052982968 765456318 /nfs/dbraw/zinc/45/63/18/765456318.db2.gz ZEJBKFNERXYMQB-NVXWUHKLSA-N 1 1 347.459 0.333 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001053027868 765500631 /nfs/dbraw/zinc/50/06/31/765500631.db2.gz IMHURLGAZWZWDQ-SJORKVTESA-N 1 1 347.459 0.429 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000992113074 765525619 /nfs/dbraw/zinc/52/56/19/765525619.db2.gz JAZMLSXCIGQNOZ-HRDQMINSSA-N 1 1 329.404 0.463 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN2CN=NC2=O)C1 ZINC001053074088 765548070 /nfs/dbraw/zinc/54/80/70/765548070.db2.gz AJJXIBNYBPDYNQ-HUUCEWRRSA-N 1 1 331.420 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cccc(OC)n3)C2)C1=O ZINC001015932911 765575720 /nfs/dbraw/zinc/57/57/20/765575720.db2.gz URKITTWNUWBABG-HIFRSBDPSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cccc(OC)n3)C2)C1=O ZINC001015932911 765575725 /nfs/dbraw/zinc/57/57/25/765575725.db2.gz URKITTWNUWBABG-HIFRSBDPSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(C)csc3n2)C1 ZINC001077497235 765682203 /nfs/dbraw/zinc/68/22/03/765682203.db2.gz HFTWEJCYRQHYQG-ZIAGYGMSSA-N 1 1 334.445 0.984 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001016015867 765722357 /nfs/dbraw/zinc/72/23/57/765722357.db2.gz CQOGRJWOTXXPED-UKRRQHHQSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001016015867 765722358 /nfs/dbraw/zinc/72/23/58/765722358.db2.gz CQOGRJWOTXXPED-UKRRQHHQSA-N 1 1 342.399 0.128 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)cn1 ZINC001016016403 765723484 /nfs/dbraw/zinc/72/34/84/765723484.db2.gz LGKFVCZGJWBWMU-SJORKVTESA-N 1 1 339.399 0.125 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001016018259 765724704 /nfs/dbraw/zinc/72/47/04/765724704.db2.gz GPJUFZZZQHLLKI-KBPBESRZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001016018259 765724707 /nfs/dbraw/zinc/72/47/07/765724707.db2.gz GPJUFZZZQHLLKI-KBPBESRZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC001016021688 765726962 /nfs/dbraw/zinc/72/69/62/765726962.db2.gz ZBQJJUUILAVENJ-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC001016021688 765726964 /nfs/dbraw/zinc/72/69/64/765726964.db2.gz ZBQJJUUILAVENJ-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn4cc[nH]c34)C2)C1=O ZINC001016107325 765789459 /nfs/dbraw/zinc/78/94/59/765789459.db2.gz DWFNSBUYYKSIBJ-JSGCOSHPSA-N 1 1 342.403 0.253 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn4cc[nH]c34)C2)C1=O ZINC001016107325 765789465 /nfs/dbraw/zinc/78/94/65/765789465.db2.gz DWFNSBUYYKSIBJ-JSGCOSHPSA-N 1 1 342.403 0.253 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001077502990 765821407 /nfs/dbraw/zinc/82/14/07/765821407.db2.gz SKMHSDVYNSOZHI-HUUCEWRRSA-N 1 1 329.404 0.709 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)CCO2 ZINC001053255492 765851371 /nfs/dbraw/zinc/85/13/71/765851371.db2.gz MOYATFWHIYNHTH-SJORKVTESA-N 1 1 331.460 0.797 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1)CC(C)(C)C ZINC001106108746 765859890 /nfs/dbraw/zinc/85/98/90/765859890.db2.gz NRWHMGZQOLDYBU-HNNXBMFYSA-N 1 1 333.436 0.820 20 30 ECEDMO C=CCCN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263774 765866512 /nfs/dbraw/zinc/86/65/12/765866512.db2.gz YKJXZFLRRZPZQL-HOTGVXAUSA-N 1 1 335.448 0.339 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)ccc1C#N ZINC001106109129 765872896 /nfs/dbraw/zinc/87/28/96/765872896.db2.gz UKYYYHYJWXKQST-SWLSCSKDSA-N 1 1 331.420 0.635 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1)CC(C)(C)C ZINC001106109377 765876282 /nfs/dbraw/zinc/87/62/82/765876282.db2.gz XQMGUKARKNYKOA-CQSZACIVSA-N 1 1 333.436 0.820 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3ccccc3)C2)C1 ZINC001030837140 765934141 /nfs/dbraw/zinc/93/41/41/765934141.db2.gz HZAHGXUYEJYHFP-LJQANCHMSA-N 1 1 341.455 0.948 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3ccccc3)C2)C1 ZINC001030837140 765934145 /nfs/dbraw/zinc/93/41/45/765934145.db2.gz HZAHGXUYEJYHFP-LJQANCHMSA-N 1 1 341.455 0.948 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@]1(C)CCNC(=O)C1)CCO2 ZINC001053308251 765945136 /nfs/dbraw/zinc/94/51/36/765945136.db2.gz GESMSOZKVOKSOA-QGZVFWFLSA-N 1 1 335.448 0.782 20 30 ECEDMO CCN1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306522 766084533 /nfs/dbraw/zinc/08/45/33/766084533.db2.gz PPSFOMKNIBCOQH-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO CCN1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306522 766084536 /nfs/dbraw/zinc/08/45/36/766084536.db2.gz PPSFOMKNIBCOQH-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)CCO2 ZINC001053429745 766119524 /nfs/dbraw/zinc/11/95/24/766119524.db2.gz WDLJYOBTPRLPBX-GOSISDBHSA-N 1 1 337.439 0.745 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCCN2C(=O)c2nc[nH]n2)C1=O ZINC001089241465 766193698 /nfs/dbraw/zinc/19/36/98/766193698.db2.gz GCGIMAMFJXJPQB-UONOGXRCSA-N 1 1 346.435 0.518 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cn(C)cn2)C1 ZINC001016397944 766225338 /nfs/dbraw/zinc/22/53/38/766225338.db2.gz AEYZBTUQIOREHD-XUJLQICISA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cn(C)cn2)C1 ZINC001016397944 766225345 /nfs/dbraw/zinc/22/53/45/766225345.db2.gz AEYZBTUQIOREHD-XUJLQICISA-N 1 1 343.431 0.237 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001016415369 766257179 /nfs/dbraw/zinc/25/71/79/766257179.db2.gz ZUIACDFFBMBLFC-UHFFFAOYSA-N 1 1 340.387 0.811 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001106127147 766279986 /nfs/dbraw/zinc/27/99/86/766279986.db2.gz USBDWEWWZVZGMQ-ZDUSSCGKSA-N 1 1 343.391 0.257 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)nn1 ZINC000992329691 766295983 /nfs/dbraw/zinc/29/59/83/766295983.db2.gz XBQJHHYWGQYMOJ-BBRMVZONSA-N 1 1 332.408 0.066 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)nn1 ZINC000992329691 766295986 /nfs/dbraw/zinc/29/59/86/766295986.db2.gz XBQJHHYWGQYMOJ-BBRMVZONSA-N 1 1 332.408 0.066 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@H]12 ZINC000992333168 766310569 /nfs/dbraw/zinc/31/05/69/766310569.db2.gz BZEURQQEPCFNMF-ZVRZEWSUSA-N 1 1 344.415 0.111 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@H]12 ZINC000992347506 766339106 /nfs/dbraw/zinc/33/91/06/766339106.db2.gz VHERREMNJSXUDQ-DNGFJYGXSA-N 1 1 346.431 0.664 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000992347651 766339506 /nfs/dbraw/zinc/33/95/06/766339506.db2.gz VUNPTBIGRNBUHN-TZMCWYRMSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@@H]12 ZINC000992350022 766345700 /nfs/dbraw/zinc/34/57/00/766345700.db2.gz XZXCVJIRJCDXEK-JJZFQXHVSA-N 1 1 344.415 0.111 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248555 766348280 /nfs/dbraw/zinc/34/82/80/766348280.db2.gz IHYQHAILKRWVNH-BZUAXINKSA-N 1 1 348.447 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@](C)(C=C)CC)C1 ZINC001045783551 766366311 /nfs/dbraw/zinc/36/63/11/766366311.db2.gz ZJBISNJKDGEEEA-MAUKXSAKSA-N 1 1 347.459 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@](C)(C=C)CC)C1 ZINC001045783551 766366322 /nfs/dbraw/zinc/36/63/22/766366322.db2.gz ZJBISNJKDGEEEA-MAUKXSAKSA-N 1 1 347.459 0.376 20 30 ECEDMO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)O2 ZINC001053606469 766421205 /nfs/dbraw/zinc/42/12/05/766421205.db2.gz KVYUYEVTSLKRJO-SJORKVTESA-N 1 1 333.476 0.947 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC001031678924 766438116 /nfs/dbraw/zinc/43/81/16/766438116.db2.gz YYNGKKBEADIUKZ-CVEARBPZSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cccn4c(=O)[nH]nc34)CCC[C@H]12 ZINC000992395448 766468503 /nfs/dbraw/zinc/46/85/03/766468503.db2.gz IRZIPDGFHLCUKM-GUYCJALGSA-N 1 1 325.372 0.795 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@H]12 ZINC000992401058 766478543 /nfs/dbraw/zinc/47/85/43/766478543.db2.gz WWSMZMBGCIIJDM-KBXCAEBGSA-N 1 1 348.447 0.960 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001045948466 766520144 /nfs/dbraw/zinc/52/01/44/766520144.db2.gz JZAMJWIYJCZBEW-LJQANCHMSA-N 1 1 346.475 0.098 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001045950464 766522090 /nfs/dbraw/zinc/52/20/90/766522090.db2.gz CGHYWDUHYCOELM-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001045950464 766522092 /nfs/dbraw/zinc/52/20/92/766522092.db2.gz CGHYWDUHYCOELM-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001045955952 766526087 /nfs/dbraw/zinc/52/60/87/766526087.db2.gz KHQVPDPDDFMLRY-LJQANCHMSA-N 1 1 346.475 0.146 20 30 ECEDMO C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212254409 766533157 /nfs/dbraw/zinc/53/31/57/766533157.db2.gz VZVWSBHVBJCEFB-IXDOHACOSA-N 1 1 339.480 0.877 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@H]12 ZINC000992423146 766534160 /nfs/dbraw/zinc/53/41/60/766534160.db2.gz DAGRDSJRCIBFOU-SUMWQHHRSA-N 1 1 340.387 0.168 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001045969828 766539910 /nfs/dbraw/zinc/53/99/10/766539910.db2.gz ZYJISXBGXIQQIT-KBXCAEBGSA-N 1 1 346.431 0.312 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001045974984 766544684 /nfs/dbraw/zinc/54/46/84/766544684.db2.gz SCWGLKMPLCLBFI-GOSISDBHSA-N 1 1 348.447 0.819 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001045974985 766544804 /nfs/dbraw/zinc/54/48/04/766544804.db2.gz SCWGLKMPLCLBFI-SFHVURJKSA-N 1 1 348.447 0.819 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212255669 766550967 /nfs/dbraw/zinc/55/09/67/766550967.db2.gz ONHCUNJCDUXWPF-RBSFLKMASA-N 1 1 345.447 0.630 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCC)C1)O2 ZINC001053671010 766551116 /nfs/dbraw/zinc/55/11/16/766551116.db2.gz ZNEQEHUCTKXJJP-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2OC)cc1 ZINC001212255258 766553664 /nfs/dbraw/zinc/55/36/64/766553664.db2.gz IDUFJDHAJJAJAF-IAGOWNOFSA-N 1 1 332.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001045985676 766557984 /nfs/dbraw/zinc/55/79/84/766557984.db2.gz ZRVJJVLEGLNZHX-IEBWSBKVSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC3(C[NH+](CCCF)C3)O2)nn1 ZINC001053677334 766560313 /nfs/dbraw/zinc/56/03/13/766560313.db2.gz VYGWGESIVLDPDV-ZDUSSCGKSA-N 1 1 337.399 0.787 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](N3CCN(C(=O)CCC)CC3)C2)C1=O ZINC001045994622 766582258 /nfs/dbraw/zinc/58/22/58/766582258.db2.gz DSTDWIUTBAXGOQ-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)nn1 ZINC001098778893 766591387 /nfs/dbraw/zinc/59/13/87/766591387.db2.gz CQGYTYBFPMLICP-CQSZACIVSA-N 1 1 328.376 0.742 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC001046000920 766601617 /nfs/dbraw/zinc/60/16/17/766601617.db2.gz BZPQWMMXOURLQV-INIZCTEOSA-N 1 1 334.464 0.403 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)O2 ZINC001053694332 766603887 /nfs/dbraw/zinc/60/38/87/766603887.db2.gz POCNYMNFYDWRHR-GJZGRUSLSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1OC ZINC001212258579 766610739 /nfs/dbraw/zinc/61/07/39/766610739.db2.gz WSFQUXKHXGFXEF-DJIMGWMZSA-N 1 1 331.416 0.744 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1OC ZINC001212258579 766610743 /nfs/dbraw/zinc/61/07/43/766610743.db2.gz WSFQUXKHXGFXEF-DJIMGWMZSA-N 1 1 331.416 0.744 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12 ZINC000992453661 766612854 /nfs/dbraw/zinc/61/28/54/766612854.db2.gz HPSAMODVYAGFLJ-RHSMWYFYSA-N 1 1 333.436 0.580 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)O2 ZINC001053700270 766618103 /nfs/dbraw/zinc/61/81/03/766618103.db2.gz PVUURBXMPRFBCP-CVEARBPZSA-N 1 1 335.448 0.080 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700270 766618108 /nfs/dbraw/zinc/61/81/08/766618108.db2.gz PVUURBXMPRFBCP-CVEARBPZSA-N 1 1 335.448 0.080 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 ZINC001046007630 766621383 /nfs/dbraw/zinc/62/13/83/766621383.db2.gz FHELKHJKDNGNAY-IRXDYDNUSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12 ZINC000992459732 766624988 /nfs/dbraw/zinc/62/49/88/766624988.db2.gz ARHSWGKASPWTHN-DYVFJYSZSA-N 1 1 332.404 0.017 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nn(CC)nc1C)O2 ZINC001053704296 766629222 /nfs/dbraw/zinc/62/92/22/766629222.db2.gz YDCQDEGPZYPRFS-CQSZACIVSA-N 1 1 331.420 0.593 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@H]12 ZINC000992463384 766634031 /nfs/dbraw/zinc/63/40/31/766634031.db2.gz JMQJEFZTEDOVAW-SUMWQHHRSA-N 1 1 334.420 0.570 20 30 ECEDMO Cc1nnsc1C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011194 766634454 /nfs/dbraw/zinc/63/44/54/766634454.db2.gz ANJVZBBYMCMPRV-GXTWGEPZSA-N 1 1 348.476 0.725 20 30 ECEDMO Cc1nnsc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011194 766634458 /nfs/dbraw/zinc/63/44/58/766634458.db2.gz ANJVZBBYMCMPRV-GXTWGEPZSA-N 1 1 348.476 0.725 20 30 ECEDMO Cc1oncc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011213 766635673 /nfs/dbraw/zinc/63/56/73/766635673.db2.gz APZSXOGFSLEOOW-BBRMVZONSA-N 1 1 331.420 0.861 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC000992463071 766639849 /nfs/dbraw/zinc/63/98/49/766639849.db2.gz OTLCBPWPJBCNML-APWZRJJASA-N 1 1 325.412 0.809 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC000992463071 766639859 /nfs/dbraw/zinc/63/98/59/766639859.db2.gz OTLCBPWPJBCNML-APWZRJJASA-N 1 1 325.412 0.809 20 30 ECEDMO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)no1 ZINC001046013441 766642011 /nfs/dbraw/zinc/64/20/11/766642011.db2.gz YJWQFUMLPYFRRC-BBRMVZONSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)no1 ZINC001046013441 766642020 /nfs/dbraw/zinc/64/20/20/766642020.db2.gz YJWQFUMLPYFRRC-BBRMVZONSA-N 1 1 331.420 0.861 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cncn3C)C2)CC1 ZINC001046013432 766642747 /nfs/dbraw/zinc/64/27/47/766642747.db2.gz YENTYJRKXMMHNV-LSDHHAIUSA-N 1 1 330.436 0.298 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046018429 766656884 /nfs/dbraw/zinc/65/68/84/766656884.db2.gz WZWXBVRKQWQTMK-MRXNPFEDSA-N 1 1 325.416 0.742 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC001046020058 766662258 /nfs/dbraw/zinc/66/22/58/766662258.db2.gz MHWLXNHVCRLWAT-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@](C)(O)C3CC3)CC2)C1 ZINC001046021134 766665003 /nfs/dbraw/zinc/66/50/03/766665003.db2.gz BCNRDEPBGHDNLZ-HKUYNNGSSA-N 1 1 333.476 0.779 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046021121 766665009 /nfs/dbraw/zinc/66/50/09/766665009.db2.gz AWAFSLKGQIBZAT-XJKSGUPXSA-N 1 1 331.420 0.099 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 ZINC001046021313 766666238 /nfs/dbraw/zinc/66/62/38/766666238.db2.gz BYJAEHUEAOTLNQ-HZPDHXFCSA-N 1 1 335.448 0.734 20 30 ECEDMO CO[C@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046022571 766669720 /nfs/dbraw/zinc/66/97/20/766669720.db2.gz TWSIWTDRLXVFCG-PBHICJAKSA-N 1 1 345.447 0.753 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 ZINC001046022670 766669727 /nfs/dbraw/zinc/66/97/27/766669727.db2.gz VOHCTOZXTRGRFM-HOTGVXAUSA-N 1 1 330.436 0.081 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 ZINC001046024740 766675934 /nfs/dbraw/zinc/67/59/34/766675934.db2.gz QWFJFWKCFGRPEO-AWEZNQCLSA-N 1 1 334.420 0.387 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC001016655061 766677303 /nfs/dbraw/zinc/67/73/03/766677303.db2.gz LTBWRLJLPPDVEL-HUUCEWRRSA-N 1 1 338.473 0.948 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CC)n3)CC2)C1 ZINC001046025211 766678792 /nfs/dbraw/zinc/67/87/92/766678792.db2.gz DOKNTNNHFSPKNE-OAHLLOKOSA-N 1 1 330.436 0.153 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CC)n3)CC2)C1 ZINC001046026455 766682799 /nfs/dbraw/zinc/68/27/99/766682799.db2.gz WZBQXMFLKNMPIV-OAHLLOKOSA-N 1 1 332.452 0.706 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@H]12 ZINC000992485365 766684533 /nfs/dbraw/zinc/68/45/33/766684533.db2.gz FWHGYQQMYODXAJ-SJCJKPOMSA-N 1 1 334.420 0.616 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000994750866 766687819 /nfs/dbraw/zinc/68/78/19/766687819.db2.gz DLHIAGWSSIXFBR-DLBZAZTESA-N 1 1 346.475 0.285 20 30 ECEDMO CN1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)CC1=O ZINC001031711847 766689947 /nfs/dbraw/zinc/68/99/47/766689947.db2.gz MSTIALOGGSTVDE-GFCCVEGCSA-N 1 1 332.429 0.646 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1OC ZINC001212262641 766691213 /nfs/dbraw/zinc/69/12/13/766691213.db2.gz UMFUICCZXPKWNH-ARFHVFGLSA-N 1 1 338.448 0.657 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ncc[nH]3)CC2)C1 ZINC001046029067 766694161 /nfs/dbraw/zinc/69/41/61/766694161.db2.gz YHQYABCPVZZYMW-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(Cl)cn2)C1 ZINC000994752568 766703111 /nfs/dbraw/zinc/70/31/11/766703111.db2.gz SLLYBIIBCQSBSK-HNNXBMFYSA-N 1 1 346.818 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(Cl)cn2)C1 ZINC000994752568 766703120 /nfs/dbraw/zinc/70/31/20/766703120.db2.gz SLLYBIIBCQSBSK-HNNXBMFYSA-N 1 1 346.818 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2sccc2F)C1 ZINC000994752941 766704481 /nfs/dbraw/zinc/70/44/81/766704481.db2.gz WZRBYYFLLULPCA-ZDUSSCGKSA-N 1 1 335.404 0.925 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2sccc2F)C1 ZINC000994752941 766704489 /nfs/dbraw/zinc/70/44/89/766704489.db2.gz WZRBYYFLLULPCA-ZDUSSCGKSA-N 1 1 335.404 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CC)nn2C)C1 ZINC000994750951 766704794 /nfs/dbraw/zinc/70/47/94/766704794.db2.gz JGGFMSUUJBJLEX-HNNXBMFYSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CC)nn2C)C1 ZINC000994750951 766704798 /nfs/dbraw/zinc/70/47/98/766704798.db2.gz JGGFMSUUJBJLEX-HNNXBMFYSA-N 1 1 343.431 0.021 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC001046032563 766706303 /nfs/dbraw/zinc/70/63/03/766706303.db2.gz FSUVXXGFDOCGSV-SFHVURJKSA-N 1 1 343.475 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)[nH]nc2Cl)C1 ZINC000994754934 766708413 /nfs/dbraw/zinc/70/84/13/766708413.db2.gz OWJDOMSQCSAILR-LBPRGKRZSA-N 1 1 349.822 0.410 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)[nH]nc2Cl)C1 ZINC000994754934 766708426 /nfs/dbraw/zinc/70/84/26/766708426.db2.gz OWJDOMSQCSAILR-LBPRGKRZSA-N 1 1 349.822 0.410 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccn(CC)n3)CC2)C1 ZINC001046033667 766710381 /nfs/dbraw/zinc/71/03/81/766710381.db2.gz YKLXODWMVDMYGZ-KRWDZBQOSA-N 1 1 331.464 0.850 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C4CC4)nn3C)CC2)C1 ZINC001046034702 766715806 /nfs/dbraw/zinc/71/58/06/766715806.db2.gz XUMSLPWDAPKSKT-INIZCTEOSA-N 1 1 341.459 0.763 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(F)cncc3F)CC2)C1 ZINC001046034850 766716582 /nfs/dbraw/zinc/71/65/82/766716582.db2.gz WZRMRBQZLYDVJY-ZDUSSCGKSA-N 1 1 334.370 0.825 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)C1 ZINC001083763367 766717122 /nfs/dbraw/zinc/71/71/22/766717122.db2.gz HIKDAWZWEVGVPK-FRRDWIJNSA-N 1 1 330.375 0.928 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)C1 ZINC001083763367 766717127 /nfs/dbraw/zinc/71/71/27/766717127.db2.gz HIKDAWZWEVGVPK-FRRDWIJNSA-N 1 1 330.375 0.928 20 30 ECEDMO CCN(c1cc(C)ncc1C#N)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089627264 766719473 /nfs/dbraw/zinc/71/94/73/766719473.db2.gz MTKFYTRKBUCKCU-PBHICJAKSA-N 1 1 345.447 0.923 20 30 ECEDMO CCN(c1cc(C)ncc1C#N)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089627264 766719477 /nfs/dbraw/zinc/71/94/77/766719477.db2.gz MTKFYTRKBUCKCU-PBHICJAKSA-N 1 1 345.447 0.923 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3CC)CC2)C1 ZINC001046037288 766732711 /nfs/dbraw/zinc/73/27/11/766732711.db2.gz ONSJWRVPMPVUIB-INIZCTEOSA-N 1 1 343.475 0.838 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1 ZINC001046037563 766733422 /nfs/dbraw/zinc/73/34/22/766733422.db2.gz SKROVCQUMPZULB-CQSZACIVSA-N 1 1 333.436 0.832 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 ZINC001046037573 766733512 /nfs/dbraw/zinc/73/35/12/766733512.db2.gz SSRKJPBBECZZHO-SJORKVTESA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046039221 766742071 /nfs/dbraw/zinc/74/20/71/766742071.db2.gz OGQJUFXPSZAVGQ-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046039686 766743670 /nfs/dbraw/zinc/74/36/70/766743670.db2.gz VTNDUMZZQARETE-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC001046039820 766743729 /nfs/dbraw/zinc/74/37/29/766743729.db2.gz YVYWOTITSGEVBZ-QGZVFWFLSA-N 1 1 342.443 0.241 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC001046040747 766749104 /nfs/dbraw/zinc/74/91/04/766749104.db2.gz IDXNXFRCYNGSGR-MRXNPFEDSA-N 1 1 334.464 0.403 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3COCCN3CC)CC2)C1 ZINC001046041911 766754001 /nfs/dbraw/zinc/75/40/01/766754001.db2.gz UWHKJSHPLCLEQP-DLBZAZTESA-N 1 1 336.480 0.112 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncc(OC)cn3)CC2)C1 ZINC001046043853 766763828 /nfs/dbraw/zinc/76/38/28/766763828.db2.gz FXCOKPLLGCUHJC-HNNXBMFYSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046044184 766766076 /nfs/dbraw/zinc/76/60/76/766766076.db2.gz JPWNKOHZOXUAIC-IAGOWNOFSA-N 1 1 346.475 0.287 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC001046045331 766770067 /nfs/dbraw/zinc/77/00/67/766770067.db2.gz WMRGRHGIXNKDGA-INIZCTEOSA-N 1 1 344.459 0.794 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3nc(C)cc3C)CC2)C1 ZINC001046045374 766770474 /nfs/dbraw/zinc/77/04/74/766770474.db2.gz XITJWINHFVXPAR-SFHVURJKSA-N 1 1 343.475 0.742 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1 ZINC001046046101 766772820 /nfs/dbraw/zinc/77/28/20/766772820.db2.gz WBNHJEWWVDSYKW-XWTMOSNGSA-N 1 1 331.460 0.653 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001046046442 766774192 /nfs/dbraw/zinc/77/41/92/766774192.db2.gz DHLDEAZDYOKJBI-IAGOWNOFSA-N 1 1 346.475 0.145 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC001046047875 766779015 /nfs/dbraw/zinc/77/90/15/766779015.db2.gz ZRVVDPOQPHLUBN-VQIMIIECSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)C1 ZINC001046050170 766786511 /nfs/dbraw/zinc/78/65/11/766786511.db2.gz GKXQPGVLWRQJQL-HNNXBMFYSA-N 1 1 343.431 0.264 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046051767 766792408 /nfs/dbraw/zinc/79/24/08/766792408.db2.gz NUJOBHTXCSIGAM-GJZGRUSLSA-N 1 1 334.464 0.306 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc(C)n3C)CC2)C1 ZINC001046055559 766806166 /nfs/dbraw/zinc/80/61/66/766806166.db2.gz ZQUZXWUSXYKTEB-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046055879 766807011 /nfs/dbraw/zinc/80/70/11/766807011.db2.gz JWGLSTBOSHFEFO-MAUKXSAKSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@]3(F)CCOC3)CC2)C1 ZINC001046056891 766813631 /nfs/dbraw/zinc/81/36/31/766813631.db2.gz VRHSLQNJDKFHBI-RDJZCZTQSA-N 1 1 325.428 0.910 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)c[nH]1 ZINC001053778924 766817819 /nfs/dbraw/zinc/81/78/19/766817819.db2.gz KOUKITHLOKTTJX-WFASDCNBSA-N 1 1 330.388 0.496 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC001046058607 766819137 /nfs/dbraw/zinc/81/91/37/766819137.db2.gz OBDRHLWQSHLAMI-OAHLLOKOSA-N 1 1 333.436 0.203 20 30 ECEDMO CC[C@@H](C[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]c(C#N)c1)CO2)OC ZINC001053780317 766820548 /nfs/dbraw/zinc/82/05/48/766820548.db2.gz GYWYHHBDGIQBRR-GJZGRUSLSA-N 1 1 332.404 0.884 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC001046060931 766828412 /nfs/dbraw/zinc/82/84/12/766828412.db2.gz FYARHZIQESWDMP-INIZCTEOSA-N 1 1 344.459 0.794 20 30 ECEDMO N#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741317 766828469 /nfs/dbraw/zinc/82/84/69/766828469.db2.gz VLHFYIFAEWBVEK-DIODGJHASA-N 1 1 330.432 0.344 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cc(C)on3)CC2)C1 ZINC001046061595 766828978 /nfs/dbraw/zinc/82/89/78/766828978.db2.gz OAJIUOHUMLBBPC-QGZVFWFLSA-N 1 1 330.432 0.767 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1 ZINC001046062426 766833930 /nfs/dbraw/zinc/83/39/30/766833930.db2.gz GVXXIPDPPVJCBX-BRWVUGGUSA-N 1 1 343.475 0.928 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046063600 766839083 /nfs/dbraw/zinc/83/90/83/766839083.db2.gz SCAGTJUXCZSBSW-XHSDSOJGSA-N 1 1 334.464 0.293 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3nccn4ccnc34)CC2)C1 ZINC001046063609 766839941 /nfs/dbraw/zinc/83/99/41/766839941.db2.gz SGTNLHVUYNRNGA-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001099172184 766841495 /nfs/dbraw/zinc/84/14/95/766841495.db2.gz ZWUXSQMMHVCHPI-OAHLLOKOSA-N 1 1 334.464 0.048 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(OC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000994801917 766847279 /nfs/dbraw/zinc/84/72/79/766847279.db2.gz LAWKDPKYPOEOCX-KGLIPLIRSA-N 1 1 348.447 0.316 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046070057 766872317 /nfs/dbraw/zinc/87/23/17/766872317.db2.gz NXFZLVPHWWMFGG-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC001046073061 766883764 /nfs/dbraw/zinc/88/37/64/766883764.db2.gz VUELCWBDBJZQLF-CQSZACIVSA-N 1 1 331.420 0.132 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3nonc3C)CC2)C1 ZINC001046074909 766894138 /nfs/dbraw/zinc/89/41/38/766894138.db2.gz KTOJRMAJWHNCIB-HNNXBMFYSA-N 1 1 331.420 0.162 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC001046077887 766909148 /nfs/dbraw/zinc/90/91/48/766909148.db2.gz GIQNEVFWYYXNPK-INIZCTEOSA-N 1 1 342.443 0.241 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)cn1 ZINC001046078330 766910711 /nfs/dbraw/zinc/91/07/11/766910711.db2.gz KLMQIKMINQVMKN-GOSISDBHSA-N 1 1 342.443 0.277 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC001046078277 766910765 /nfs/dbraw/zinc/91/07/65/766910765.db2.gz WHLVHCBIKOJSRT-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC001046079234 766913046 /nfs/dbraw/zinc/91/30/46/766913046.db2.gz RNGDAIKPORXEBC-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046079625 766913927 /nfs/dbraw/zinc/91/39/27/766913927.db2.gz XMNUWHHGWSBCHV-ZDUSSCGKSA-N 1 1 338.843 0.318 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046079625 766913936 /nfs/dbraw/zinc/91/39/36/766913936.db2.gz XMNUWHHGWSBCHV-ZDUSSCGKSA-N 1 1 338.843 0.318 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]nc3C3CC3)CC2)C1 ZINC001046079602 766914351 /nfs/dbraw/zinc/91/43/51/766914351.db2.gz WLVRZHXEOWLBQO-OAHLLOKOSA-N 1 1 327.432 0.752 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046080480 766916390 /nfs/dbraw/zinc/91/63/90/766916390.db2.gz IADQAVANDRXVKH-QZTJIDSGSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC001046080330 766916435 /nfs/dbraw/zinc/91/64/35/766916435.db2.gz FGZLJMOVCLRSSS-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccc(C)nc3)CC2)C1 ZINC001046084246 766924084 /nfs/dbraw/zinc/92/40/84/766924084.db2.gz ODBLUYKCBHJNEV-SFHVURJKSA-N 1 1 326.444 0.784 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)N3CCOCC3)CC2)C1 ZINC001046089257 766931229 /nfs/dbraw/zinc/93/12/29/766931229.db2.gz AUEWFVODZTWBTA-DLBZAZTESA-N 1 1 336.480 0.112 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC)C1)CO2 ZINC001053820635 766934924 /nfs/dbraw/zinc/93/49/24/766934924.db2.gz HPPHWMFSQFEUET-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)C3=COCCO3)C2)C1=O ZINC001046113171 766941232 /nfs/dbraw/zinc/94/12/32/766941232.db2.gz DJGLAIIXNZBIOU-DYVFJYSZSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)C3=COCCO3)C2)C1=O ZINC001046113171 766941237 /nfs/dbraw/zinc/94/12/37/766941237.db2.gz DJGLAIIXNZBIOU-DYVFJYSZSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(C(C)C)C1)CO2 ZINC001053822841 766942088 /nfs/dbraw/zinc/94/20/88/766942088.db2.gz XCKQLIJSYTXLIP-LSDHHAIUSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3n[nH]nc3c1)CO2 ZINC001053830910 766964513 /nfs/dbraw/zinc/96/45/13/766964513.db2.gz OZRRKXAYKJLHAX-CYBMUJFWSA-N 1 1 342.403 0.892 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3ccncc13)CO2 ZINC001053831074 766965729 /nfs/dbraw/zinc/96/57/29/766965729.db2.gz UNAIISMMCDPOCU-CYBMUJFWSA-N 1 1 327.388 0.879 20 30 ECEDMO C[C@@H]1OCCO[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031743430 767002268 /nfs/dbraw/zinc/00/22/68/767002268.db2.gz USEGWUODALPPLT-NHYWBVRUSA-N 1 1 335.429 0.972 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn(C)c(=O)c1)CO2 ZINC001053849794 767014896 /nfs/dbraw/zinc/01/48/96/767014896.db2.gz VBSYJTITYYLDMA-HNNXBMFYSA-N 1 1 331.416 0.925 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC3N=NC(=O)N3C1)CO2 ZINC001053851092 767018712 /nfs/dbraw/zinc/01/87/12/767018712.db2.gz KBZWMEKVERPWBS-STQMWFEESA-N 1 1 347.419 0.082 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000938635695 767034133 /nfs/dbraw/zinc/03/41/33/767034133.db2.gz VYYUBVLGBVNEHV-JYJNAYRXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000938635695 767034136 /nfs/dbraw/zinc/03/41/36/767034136.db2.gz VYYUBVLGBVNEHV-JYJNAYRXSA-N 1 1 333.432 0.180 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)c[nH]1 ZINC000994854441 767035967 /nfs/dbraw/zinc/03/59/67/767035967.db2.gz KVOBCNJAALVXBA-CVEARBPZSA-N 1 1 341.415 0.844 20 30 ECEDMO C[NH+](C)CCn1ccc(C(=O)NCCNCc2ccccc2C#N)n1 ZINC001127575792 767050894 /nfs/dbraw/zinc/05/08/94/767050894.db2.gz BRIFDBCGTIUAQB-UHFFFAOYSA-N 1 1 340.431 0.836 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(=O)NC ZINC001089692869 767066601 /nfs/dbraw/zinc/06/66/01/767066601.db2.gz CXJPYVNUCNJZEY-ZNMIVQPWSA-N 1 1 337.464 0.930 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=O)NC ZINC001089692869 767066610 /nfs/dbraw/zinc/06/66/10/767066610.db2.gz CXJPYVNUCNJZEY-ZNMIVQPWSA-N 1 1 337.464 0.930 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001042016954 782604128 /nfs/dbraw/zinc/60/41/28/782604128.db2.gz XJTWUSAEMPHRJH-MLGOLLRUSA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001042016954 782604129 /nfs/dbraw/zinc/60/41/29/782604129.db2.gz XJTWUSAEMPHRJH-MLGOLLRUSA-N 1 1 339.403 0.751 20 30 ECEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001089702443 767100039 /nfs/dbraw/zinc/10/00/39/767100039.db2.gz APKUFNDYOUDIDC-STQMWFEESA-N 1 1 336.436 0.767 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)NCc2ccc(F)cc2)CC1 ZINC000068468386 767106595 /nfs/dbraw/zinc/10/65/95/767106595.db2.gz VPICMYAKXSAWJA-UHFFFAOYSA-N 1 1 346.406 0.792 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001046247394 767106635 /nfs/dbraw/zinc/10/66/35/767106635.db2.gz YVOGJGHMAOZLTO-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001046247394 767106637 /nfs/dbraw/zinc/10/66/37/767106637.db2.gz YVOGJGHMAOZLTO-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2ccon2)C1 ZINC000938755993 767106742 /nfs/dbraw/zinc/10/67/42/767106742.db2.gz FEQIDDXCHFIKOP-CVEARBPZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2ccon2)C1 ZINC000938755993 767106744 /nfs/dbraw/zinc/10/67/44/767106744.db2.gz FEQIDDXCHFIKOP-CVEARBPZSA-N 1 1 344.415 0.374 20 30 ECEDMO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001046248345 767107251 /nfs/dbraw/zinc/10/72/51/767107251.db2.gz OFHXOPKDKVVUJI-DOTOQJQBSA-N 1 1 342.403 0.338 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(C)no2)C1 ZINC000938756699 767108224 /nfs/dbraw/zinc/10/82/24/767108224.db2.gz VRIBREDLWSETPX-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(C)no2)C1 ZINC000938756699 767108225 /nfs/dbraw/zinc/10/82/25/767108225.db2.gz VRIBREDLWSETPX-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C=C(C)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875454 767111115 /nfs/dbraw/zinc/11/11/15/767111115.db2.gz DADCHQDQHAZMOX-GARNVTTQSA-N 1 1 347.459 0.385 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001042017123 782605196 /nfs/dbraw/zinc/60/51/96/782605196.db2.gz AZJXIBQBZYDNLO-WFASDCNBSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000938826855 767125225 /nfs/dbraw/zinc/12/52/25/767125225.db2.gz LJZYJGFCGGTRGZ-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC000938826676 767125332 /nfs/dbraw/zinc/12/53/32/767125332.db2.gz JLZADZSZKXVRRP-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)Cc2ccncc2C)[C@H](OC)C1 ZINC001212282399 767130398 /nfs/dbraw/zinc/13/03/98/767130398.db2.gz RRINDZNWWAKOQO-IAGOWNOFSA-N 1 1 333.432 0.951 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001089731194 767134015 /nfs/dbraw/zinc/13/40/15/767134015.db2.gz MSADMNKBXANPSR-ZDUSSCGKSA-N 1 1 346.431 0.730 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001046313871 767141819 /nfs/dbraw/zinc/14/18/19/767141819.db2.gz XMXAZMFVAWAYEB-KSSFIOAISA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001046313871 767141820 /nfs/dbraw/zinc/14/18/20/767141820.db2.gz XMXAZMFVAWAYEB-KSSFIOAISA-N 1 1 345.447 0.710 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2nccnc2N)C1 ZINC001089787248 767178738 /nfs/dbraw/zinc/17/87/38/767178738.db2.gz MCOZAEMAZJGVDB-AJNGGQMLSA-N 1 1 325.416 0.865 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001042019457 782609706 /nfs/dbraw/zinc/60/97/06/782609706.db2.gz RAQOWTWQNQOHFK-LRDDRELGSA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001042019457 782609710 /nfs/dbraw/zinc/60/97/10/782609710.db2.gz RAQOWTWQNQOHFK-LRDDRELGSA-N 1 1 339.403 0.751 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001046395013 767192762 /nfs/dbraw/zinc/19/27/62/767192762.db2.gz ZKRSPOQJGLJYEU-KBXCAEBGSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001046395013 767192763 /nfs/dbraw/zinc/19/27/63/767192763.db2.gz ZKRSPOQJGLJYEU-KBXCAEBGSA-N 1 1 345.447 0.710 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H](OC)C1 ZINC001212308687 767195789 /nfs/dbraw/zinc/19/57/89/767195789.db2.gz FTPCUZBDCKLRSP-MGPQQGTHSA-N 1 1 347.481 0.096 20 30 ECEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001046418019 767207089 /nfs/dbraw/zinc/20/70/89/767207089.db2.gz MRHQJASPFOHIKK-HNNXBMFYSA-N 1 1 326.462 0.968 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001046468063 767244518 /nfs/dbraw/zinc/24/45/18/767244518.db2.gz MPAAAARRNJWOBH-GOSISDBHSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001046505351 767267662 /nfs/dbraw/zinc/26/76/62/767267662.db2.gz GTMQEWMJYAMNMJ-RYRKJORJSA-N 1 1 335.448 0.080 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046538537 767289128 /nfs/dbraw/zinc/28/91/28/767289128.db2.gz KPRCDTWACGZIKJ-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046538537 767289129 /nfs/dbraw/zinc/28/91/29/767289129.db2.gz KPRCDTWACGZIKJ-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001046540972 767292119 /nfs/dbraw/zinc/29/21/19/767292119.db2.gz BROPVVPNDLXUJA-MAUKXSAKSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001046540972 767292121 /nfs/dbraw/zinc/29/21/21/767292121.db2.gz BROPVVPNDLXUJA-MAUKXSAKSA-N 1 1 341.415 0.662 20 30 ECEDMO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000939498487 767294999 /nfs/dbraw/zinc/29/49/99/767294999.db2.gz GYAAMEUTVMNMBG-IAQYHMDHSA-N 1 1 342.378 0.995 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089820951 767318971 /nfs/dbraw/zinc/31/89/71/767318971.db2.gz PYFMDRHDIDYAGY-HZMVEIRTSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001046595250 767348477 /nfs/dbraw/zinc/34/84/77/767348477.db2.gz ZVYQZDABZOAHMV-CXAGYDPISA-N 1 1 347.419 0.107 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001046604668 767356293 /nfs/dbraw/zinc/35/62/93/767356293.db2.gz MFYSATIVYPQHGS-IBGZPJMESA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001046604307 767357375 /nfs/dbraw/zinc/35/73/75/767357375.db2.gz IKVKTQXEPWQHSP-YJBOKZPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001046604307 767357385 /nfs/dbraw/zinc/35/73/85/767357385.db2.gz IKVKTQXEPWQHSP-YJBOKZPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001046606939 767358255 /nfs/dbraw/zinc/35/82/55/767358255.db2.gz LPGAZIWBBSAMDI-SFHVURJKSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)c1 ZINC001046606939 767358261 /nfs/dbraw/zinc/35/82/61/767358261.db2.gz LPGAZIWBBSAMDI-SFHVURJKSA-N 1 1 326.400 0.489 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924131 767371588 /nfs/dbraw/zinc/37/15/88/767371588.db2.gz LJYYPPORYAJEFZ-HZPDHXFCSA-N 1 1 342.443 0.737 20 30 ECEDMO Cc1nsc(NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1C#N ZINC001106153138 767387069 /nfs/dbraw/zinc/38/70/69/767387069.db2.gz QUJSALOXTQSGQT-IJLUTSLNSA-N 1 1 337.449 0.552 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001106157980 767423435 /nfs/dbraw/zinc/42/34/35/767423435.db2.gz MYISKEJFOHULBJ-QWHCGFSZSA-N 1 1 332.408 0.112 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(N)=O)s1)CO2 ZINC001053955449 767444355 /nfs/dbraw/zinc/44/43/55/767444355.db2.gz JNKKLKMFHQCSSO-NSHDSACASA-N 1 1 335.429 0.996 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CCC1 ZINC001046676236 767459964 /nfs/dbraw/zinc/45/99/64/767459964.db2.gz CSALUZPTNPSXLQ-OAHLLOKOSA-N 1 1 347.459 0.211 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CCC1 ZINC001046676764 767461743 /nfs/dbraw/zinc/46/17/43/767461743.db2.gz LKROOHLEWZHRCL-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001046677509 767463676 /nfs/dbraw/zinc/46/36/76/767463676.db2.gz BMOAHHKAMRGQAY-SCLBCKFNSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001046677509 767463681 /nfs/dbraw/zinc/46/36/81/767463681.db2.gz BMOAHHKAMRGQAY-SCLBCKFNSA-N 1 1 329.400 0.767 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001046689761 767486574 /nfs/dbraw/zinc/48/65/74/767486574.db2.gz OCIKUQCJZUFDNC-QGZVFWFLSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001046689761 767486579 /nfs/dbraw/zinc/48/65/79/767486579.db2.gz OCIKUQCJZUFDNC-QGZVFWFLSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3nc(C)nn31)CO2 ZINC001053981602 767523111 /nfs/dbraw/zinc/52/31/11/767523111.db2.gz PIWXGDKNQFYMNR-ZDUSSCGKSA-N 1 1 342.403 0.582 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCN(C(C)=O)C1)CO2 ZINC001053994760 767551412 /nfs/dbraw/zinc/55/14/12/767551412.db2.gz LSMYSWQJRPHCSK-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@H]1CCNC1=O ZINC001017109276 767601281 /nfs/dbraw/zinc/60/12/81/767601281.db2.gz IUCDPYTWNOQNES-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)N1CCCCC1=O)CO2 ZINC001054017042 767608354 /nfs/dbraw/zinc/60/83/54/767608354.db2.gz PZIYIFOOOGNLJZ-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001054035507 767635466 /nfs/dbraw/zinc/63/54/66/767635466.db2.gz OTFMSMCHSCIJCM-DLBZAZTESA-N 1 1 325.412 0.831 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001054035507 767635470 /nfs/dbraw/zinc/63/54/70/767635470.db2.gz OTFMSMCHSCIJCM-DLBZAZTESA-N 1 1 325.412 0.831 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cn(C)cn3)C2)C1=O ZINC001007128746 767643600 /nfs/dbraw/zinc/64/36/00/767643600.db2.gz MITSGSPADQQCLX-UKRRQHHQSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(C)cn3)C2)C1=O ZINC001007128746 767643602 /nfs/dbraw/zinc/64/36/02/767643602.db2.gz MITSGSPADQQCLX-UKRRQHHQSA-N 1 1 331.420 0.401 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001060476530 767690916 /nfs/dbraw/zinc/69/09/16/767690916.db2.gz XSWVRXSZQDDWNX-YZVFDVFRSA-N 1 1 325.416 0.702 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3csnn3)C2)C1=O ZINC001046518020 767716680 /nfs/dbraw/zinc/71/66/80/767716680.db2.gz GWDYWXDTTLGFIM-WFASDCNBSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3csnn3)C2)C1=O ZINC001046518020 767716682 /nfs/dbraw/zinc/71/66/82/767716682.db2.gz GWDYWXDTTLGFIM-WFASDCNBSA-N 1 1 335.433 0.519 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(CCOC)nn1)C2 ZINC001054129686 767723491 /nfs/dbraw/zinc/72/34/91/767723491.db2.gz XFNWDXGZOADDGG-GOSISDBHSA-N 1 1 345.447 0.876 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC001054169981 767766512 /nfs/dbraw/zinc/76/65/12/767766512.db2.gz BYGNLQMDZCPOBE-IMBTUZDBSA-N 1 1 332.444 0.986 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001054175960 767774242 /nfs/dbraw/zinc/77/42/42/767774242.db2.gz ZCNQKXIIDNPCMO-IBGZPJMESA-N 1 1 348.491 0.699 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)c1 ZINC001054194123 767793216 /nfs/dbraw/zinc/79/32/16/767793216.db2.gz KGJJBKBKPXQZHI-AUUYWEPGSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@@H]3C2)CC1 ZINC000992931627 767804382 /nfs/dbraw/zinc/80/43/82/767804382.db2.gz UJXSGGVZJOLOCM-KSZLIROESA-N 1 1 333.476 0.541 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)C2 ZINC001054218115 767821549 /nfs/dbraw/zinc/82/15/49/767821549.db2.gz LWHMRCCGQYBTSM-SFHVURJKSA-N 1 1 344.415 0.686 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001054225403 767832222 /nfs/dbraw/zinc/83/22/22/767832222.db2.gz WLJPDIHYDFTPEM-GOSISDBHSA-N 1 1 348.447 0.819 20 30 ECEDMO C=CCCn1cc(C(=O)NC2C[NH+](C[C@@H]3C[C@]34CCOC4)C2)nn1 ZINC001031079725 767833940 /nfs/dbraw/zinc/83/39/40/767833940.db2.gz IIWGOIWJJIISMO-GUYCJALGSA-N 1 1 331.420 0.695 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCNC2=O)cc1 ZINC001017791888 768373520 /nfs/dbraw/zinc/37/35/20/768373520.db2.gz FNTHWROKTKZLIB-BBWFWOEESA-N 1 1 338.411 0.870 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCNC2=O)cc1 ZINC001017791888 768373528 /nfs/dbraw/zinc/37/35/28/768373528.db2.gz FNTHWROKTKZLIB-BBWFWOEESA-N 1 1 338.411 0.870 20 30 ECEDMO CN(CCOCCNc1ccncc1C#N)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001127347418 768381530 /nfs/dbraw/zinc/38/15/30/768381530.db2.gz NQQZERBXZTVZAO-OAHLLOKOSA-N 1 1 345.447 0.604 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106539068 768419258 /nfs/dbraw/zinc/41/92/58/768419258.db2.gz FIXASANGIIIFHE-UKRRQHHQSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106539068 768419264 /nfs/dbraw/zinc/41/92/64/768419264.db2.gz FIXASANGIIIFHE-UKRRQHHQSA-N 1 1 346.435 0.764 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNc2ccnc(C#N)n2)CC[N@H+]1C ZINC001106611487 768501825 /nfs/dbraw/zinc/50/18/25/768501825.db2.gz MVXDPSAOSWDCFX-MELADBBJSA-N 1 1 330.436 0.807 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)C1 ZINC001055197317 768658232 /nfs/dbraw/zinc/65/82/32/768658232.db2.gz VUVRHPOBAAKEPF-OJLVUWQFSA-N 1 1 340.431 0.916 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001055249855 768708086 /nfs/dbraw/zinc/70/80/86/768708086.db2.gz DKZWLRPQSVTZMZ-CAOSSQGBSA-N 1 1 335.448 0.304 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001055250210 768708865 /nfs/dbraw/zinc/70/88/65/768708865.db2.gz ARBJPXGRSTWZOW-GASCZTMLSA-N 1 1 332.404 0.311 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@@H]2C1 ZINC001055338171 768794164 /nfs/dbraw/zinc/79/41/64/768794164.db2.gz PAWPLKSKWTVDDP-MWDXBVQZSA-N 1 1 347.459 0.141 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]2C1 ZINC001055338036 768794485 /nfs/dbraw/zinc/79/44/85/768794485.db2.gz MUYWRMDMLWIYCH-IYBDPMFKSA-N 1 1 349.475 0.673 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055344946 768802863 /nfs/dbraw/zinc/80/28/63/768802863.db2.gz JJRSHTUOUXASLV-YHUYYLMFSA-N 1 1 335.448 0.446 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@]2(C)C1 ZINC000993348308 768822729 /nfs/dbraw/zinc/82/27/29/768822729.db2.gz QLCQEXXDJGGHAH-MRRJBJDNSA-N 1 1 329.404 0.658 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001106748064 768842874 /nfs/dbraw/zinc/84/28/74/768842874.db2.gz HPMPEYCJLWGMNE-BZUAXINKSA-N 1 1 332.448 0.922 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993354808 768853185 /nfs/dbraw/zinc/85/31/85/768853185.db2.gz UBYISNYWMYBQLJ-RDJZCZTQSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993354808 768853195 /nfs/dbraw/zinc/85/31/95/768853195.db2.gz UBYISNYWMYBQLJ-RDJZCZTQSA-N 1 1 338.415 0.694 20 30 ECEDMO CC(=O)CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055515623 768986665 /nfs/dbraw/zinc/98/66/65/768986665.db2.gz FZZKLOUGBINMDE-CYBMUJFWSA-N 1 1 336.436 0.602 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C(N)=O)cc1 ZINC001018285339 769034892 /nfs/dbraw/zinc/03/48/92/769034892.db2.gz LGUVIBGWAZFKND-IYBDPMFKSA-N 1 1 341.411 0.863 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2ccnn2C)CC1 ZINC001055539337 769054110 /nfs/dbraw/zinc/05/41/10/769054110.db2.gz LNHQXSXMFAJSEX-UHFFFAOYSA-N 1 1 345.447 0.390 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001018300375 769055271 /nfs/dbraw/zinc/05/52/71/769055271.db2.gz YMHNROHGWKJDIH-OAGGEKHMSA-N 1 1 327.432 0.847 20 30 ECEDMO CC(C)C#CC(=O)NC1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055546075 769081605 /nfs/dbraw/zinc/08/16/05/769081605.db2.gz XBVYROLPFSTMBJ-QGZVFWFLSA-N 1 1 348.491 0.437 20 30 ECEDMO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cncnc2)CC1 ZINC001055564124 769123742 /nfs/dbraw/zinc/12/37/42/769123742.db2.gz VYRUOVGNKDGUHW-UHFFFAOYSA-N 1 1 345.447 0.999 20 30 ECEDMO C=C(C)CCC(=O)NC1CC[NH+](CCNC(=O)c2cnn(C)n2)CC1 ZINC001055599798 769225656 /nfs/dbraw/zinc/22/56/56/769225656.db2.gz IHQKPJAEUVZGAX-UHFFFAOYSA-N 1 1 348.451 0.482 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2cncs2)CC1 ZINC001055629744 769297388 /nfs/dbraw/zinc/29/73/88/769297388.db2.gz IWAGSVYMZHIGID-NSHDSACASA-N 1 1 335.433 0.613 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001055630952 769302142 /nfs/dbraw/zinc/30/21/42/769302142.db2.gz AVYCNIXRYWODFO-GJZGRUSLSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001055630952 769302152 /nfs/dbraw/zinc/30/21/52/769302152.db2.gz AVYCNIXRYWODFO-GJZGRUSLSA-N 1 1 349.479 0.327 20 30 ECEDMO Cc1conc1C(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055631973 769305862 /nfs/dbraw/zinc/30/58/62/769305862.db2.gz NLWQKGQONFBKOV-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001055644967 769333034 /nfs/dbraw/zinc/33/30/34/769333034.db2.gz KFFUTPUOGMCCHQ-LSDHHAIUSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001055644967 769333043 /nfs/dbraw/zinc/33/30/43/769333043.db2.gz KFFUTPUOGMCCHQ-LSDHHAIUSA-N 1 1 349.479 0.185 20 30 ECEDMO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001055648741 769341679 /nfs/dbraw/zinc/34/16/79/769341679.db2.gz KZHKOQOMNNKDPP-UHFFFAOYSA-N 1 1 348.451 0.256 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC000993663210 769496677 /nfs/dbraw/zinc/49/66/77/769496677.db2.gz CRYSCMOAUIVXJX-YPMHNXCESA-N 1 1 344.423 0.853 20 30 ECEDMO Cc1nc(N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)ccc1C#N ZINC001055750933 769595853 /nfs/dbraw/zinc/59/58/53/769595853.db2.gz LEBZMQZALBBCJA-OAHLLOKOSA-N 1 1 329.404 0.241 20 30 ECEDMO Cc1nc(N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)ccc1C#N ZINC001055750933 769595859 /nfs/dbraw/zinc/59/58/59/769595859.db2.gz LEBZMQZALBBCJA-OAHLLOKOSA-N 1 1 329.404 0.241 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001078357735 782764941 /nfs/dbraw/zinc/76/49/41/782764941.db2.gz AXIWLKXIZPOZHG-GXTWGEPZSA-N 1 1 346.435 0.559 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)[C@@H]2C)C1 ZINC000993796344 769630873 /nfs/dbraw/zinc/63/08/73/769630873.db2.gz ZHAPQMVUVHXWHY-KGLIPLIRSA-N 1 1 348.447 0.864 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCCO2)s1 ZINC001078357989 782765874 /nfs/dbraw/zinc/76/58/74/782765874.db2.gz GONWUVSFDKXWBI-NEPJUHHUSA-N 1 1 337.449 0.967 20 30 ECEDMO CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)nn1 ZINC001078358071 782766831 /nfs/dbraw/zinc/76/68/31/782766831.db2.gz IRAAMYKUNYPCJM-UKRRQHHQSA-N 1 1 334.424 0.726 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@@H]21 ZINC001042100891 782767930 /nfs/dbraw/zinc/76/79/30/782767930.db2.gz PSAGYBVWWZXNAS-HOCLYGCPSA-N 1 1 328.416 0.973 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1C ZINC001018682802 769756547 /nfs/dbraw/zinc/75/65/47/769756547.db2.gz SKWNEBQNYHEGNT-LBPRGKRZSA-N 1 1 327.392 0.582 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001055824542 769861173 /nfs/dbraw/zinc/86/11/73/769861173.db2.gz WFWQBPLAQLWNBA-OALUTQOASA-N 1 1 349.475 0.908 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001055826170 769870266 /nfs/dbraw/zinc/87/02/66/769870266.db2.gz YABSQSOITNVRBH-QGZVFWFLSA-N 1 1 334.420 0.627 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)C[C@H]21 ZINC001042107636 782785348 /nfs/dbraw/zinc/78/53/48/782785348.db2.gz BYVRHPWOPVYNLQ-HUUCEWRRSA-N 1 1 338.415 0.992 20 30 ECEDMO C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001055831105 769890918 /nfs/dbraw/zinc/89/09/18/769890918.db2.gz KEJHHTHGMCLTOF-QGZVFWFLSA-N 1 1 341.452 0.001 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000993949520 769931089 /nfs/dbraw/zinc/93/10/89/769931089.db2.gz CQDDPVZHWPIVTA-KFWWJZLASA-N 1 1 344.415 0.679 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H]1C ZINC000993989881 769970805 /nfs/dbraw/zinc/97/08/05/769970805.db2.gz PVWAPYZBFCDFCC-LSDHHAIUSA-N 1 1 348.451 0.724 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](C)SC)C2)C1 ZINC001018816174 769994016 /nfs/dbraw/zinc/99/40/16/769994016.db2.gz ZHBPSYNFRKZQNM-GJZGRUSLSA-N 1 1 349.500 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](C)SC)C2)C1 ZINC001018816174 769994026 /nfs/dbraw/zinc/99/40/26/769994026.db2.gz ZHBPSYNFRKZQNM-GJZGRUSLSA-N 1 1 349.500 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001018816597 769996326 /nfs/dbraw/zinc/99/63/26/769996326.db2.gz MWRHHMKGYOSVIW-HNNXBMFYSA-N 1 1 341.415 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001018816597 769996328 /nfs/dbraw/zinc/99/63/28/769996328.db2.gz MWRHHMKGYOSVIW-HNNXBMFYSA-N 1 1 341.415 0.182 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccn[nH]3)C2)C1 ZINC001018816597 769996336 /nfs/dbraw/zinc/99/63/36/769996336.db2.gz MWRHHMKGYOSVIW-HNNXBMFYSA-N 1 1 341.415 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccn[nH]3)C2)C1 ZINC001018816597 769996345 /nfs/dbraw/zinc/99/63/45/769996345.db2.gz MWRHHMKGYOSVIW-HNNXBMFYSA-N 1 1 341.415 0.182 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H]1C ZINC000994089123 770117380 /nfs/dbraw/zinc/11/73/80/770117380.db2.gz DTZUAXRLEDFRFP-HOTGVXAUSA-N 1 1 330.432 0.853 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001055911184 770182754 /nfs/dbraw/zinc/18/27/54/770182754.db2.gz WYYPXQMSHSFSAH-GOSISDBHSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C ZINC000994169202 770241185 /nfs/dbraw/zinc/24/11/85/770241185.db2.gz LHJHEJYDFFFGRH-OLZOCXBDSA-N 1 1 334.420 0.309 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@](CO)(NC(=O)C#CC(C)C)C1 ZINC001055935291 770280774 /nfs/dbraw/zinc/28/07/74/770280774.db2.gz QKDGWCXBLUVERN-GOSISDBHSA-N 1 1 346.431 0.321 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C ZINC000994216364 770322817 /nfs/dbraw/zinc/32/28/17/770322817.db2.gz VGTSSUNQPDFKNJ-NWDGAFQWSA-N 1 1 328.376 0.024 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001055953952 770349584 /nfs/dbraw/zinc/34/95/84/770349584.db2.gz LWDXJDNWYJMMKN-KXBFYZLASA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3-n3cnnn3)C[C@H]21 ZINC001042134220 782829708 /nfs/dbraw/zinc/82/97/08/782829708.db2.gz NKLGCAQKEUQQAI-GXTWGEPZSA-N 1 1 342.428 0.893 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055965888 770389898 /nfs/dbraw/zinc/38/98/98/770389898.db2.gz AHCABLRVJQALLD-GPMSIDNRSA-N 1 1 349.475 0.600 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)[C@H]2C)nc1 ZINC000994252395 770440675 /nfs/dbraw/zinc/44/06/75/770440675.db2.gz LHPGNZRRFRNBCE-ZFWWWQNUSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)[C@H]2C)nc1 ZINC000994252395 770440677 /nfs/dbraw/zinc/44/06/77/770440677.db2.gz LHPGNZRRFRNBCE-ZFWWWQNUSA-N 1 1 328.416 0.734 20 30 ECEDMO CC(C)(C(N)=O)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001018998049 770524521 /nfs/dbraw/zinc/52/45/21/770524521.db2.gz NBXWGMRKSNSBFK-AWEZNQCLSA-N 1 1 332.379 0.899 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001019010084 770560958 /nfs/dbraw/zinc/56/09/58/770560958.db2.gz CYBIPJAFDLGVHR-UHFFFAOYSA-N 1 1 345.443 0.183 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019011380 770562890 /nfs/dbraw/zinc/56/28/90/770562890.db2.gz JBZFCZWMKIUJCC-GDBMZVCRSA-N 1 1 329.444 0.658 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019011666 770564326 /nfs/dbraw/zinc/56/43/26/770564326.db2.gz SUXZLWDDTGRRGX-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001019108749 770806094 /nfs/dbraw/zinc/80/60/94/770806094.db2.gz SPCAOZJLUJIXRJ-ZIAGYGMSSA-N 1 1 341.415 0.981 20 30 ECEDMO CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 ZINC001078399048 782872596 /nfs/dbraw/zinc/87/25/96/782872596.db2.gz WTIHIQLIOOHGCP-MRXNPFEDSA-N 1 1 345.447 0.727 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 ZINC001042161695 782874485 /nfs/dbraw/zinc/87/44/85/782874485.db2.gz CKLRYPYYFMNADP-LSDHHAIUSA-N 1 1 333.436 0.471 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@@H]21 ZINC001042163358 782877437 /nfs/dbraw/zinc/87/74/37/782877437.db2.gz SHFPOHVRFYNCRM-GJZGRUSLSA-N 1 1 333.436 0.471 20 30 ECEDMO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001056181162 771001202 /nfs/dbraw/zinc/00/12/02/771001202.db2.gz FRSFOWRYOBMUFO-DLTWYDFYSA-N 1 1 341.415 0.143 20 30 ECEDMO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001056181162 771001207 /nfs/dbraw/zinc/00/12/07/771001207.db2.gz FRSFOWRYOBMUFO-DLTWYDFYSA-N 1 1 341.415 0.143 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001056227121 771020425 /nfs/dbraw/zinc/02/04/25/771020425.db2.gz HBEZUMGFCGYVSH-SPWCGHHHSA-N 1 1 326.404 0.159 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)CC(C)(C)C1 ZINC001089395866 771033711 /nfs/dbraw/zinc/03/37/11/771033711.db2.gz BCZVRYPWRMAAPP-AWEZNQCLSA-N 1 1 326.462 0.661 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001031418932 771038774 /nfs/dbraw/zinc/03/87/74/771038774.db2.gz PCRUIFXTQJDYPY-OAHLLOKOSA-N 1 1 334.445 0.641 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001031418932 771038779 /nfs/dbraw/zinc/03/87/79/771038779.db2.gz PCRUIFXTQJDYPY-OAHLLOKOSA-N 1 1 334.445 0.641 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001031419317 771038864 /nfs/dbraw/zinc/03/88/64/771038864.db2.gz WVPLPKUFFXVNIO-QGZVFWFLSA-N 1 1 346.406 0.718 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001031419317 771038867 /nfs/dbraw/zinc/03/88/67/771038867.db2.gz WVPLPKUFFXVNIO-QGZVFWFLSA-N 1 1 346.406 0.718 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)CC(C)(C)C1 ZINC001089396889 771042479 /nfs/dbraw/zinc/04/24/79/771042479.db2.gz JHQXPUHWGIYUJU-CQSZACIVSA-N 1 1 326.462 0.661 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)CC(C)(C)C1 ZINC001089396889 771042483 /nfs/dbraw/zinc/04/24/83/771042483.db2.gz JHQXPUHWGIYUJU-CQSZACIVSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)CC(C)(C)C1 ZINC001089398589 771045173 /nfs/dbraw/zinc/04/51/73/771045173.db2.gz IOTZVAZOQSXPTR-ZIAGYGMSSA-N 1 1 333.432 0.764 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001031439134 771073133 /nfs/dbraw/zinc/07/31/33/771073133.db2.gz CKVXKTBHJJQUTF-HOTGVXAUSA-N 1 1 334.464 0.448 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001056314682 771111041 /nfs/dbraw/zinc/11/10/41/771111041.db2.gz RCVSXZJFZFWCLB-XHSDSOJGSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC(C)(C)C1 ZINC001089424162 771126114 /nfs/dbraw/zinc/12/61/14/771126114.db2.gz SCEAXHURFDYUFJ-UONOGXRCSA-N 1 1 345.447 0.786 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]21 ZINC001042179441 782897713 /nfs/dbraw/zinc/89/77/13/782897713.db2.gz MBWHNLFYCDUWHT-HOTGVXAUSA-N 1 1 342.443 0.957 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)C1 ZINC001056403038 771229457 /nfs/dbraw/zinc/22/94/57/771229457.db2.gz IMJWFWMGWKRPDU-HALDLXJZSA-N 1 1 340.431 0.631 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3COCCO3)C2)cc1C#N ZINC001031554989 771271698 /nfs/dbraw/zinc/27/16/98/771271698.db2.gz NSAYUAXWLHCQKT-KRWDZBQOSA-N 1 1 345.399 0.530 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4nccnc4C#N)C[C@H]32)CC[N@H+]1C ZINC001056445254 771276566 /nfs/dbraw/zinc/27/65/66/771276566.db2.gz XAODYIQGMAYHES-NTASLKFISA-N 1 1 326.404 0.239 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCOCCNc1ccc(C#N)nn1 ZINC001127471848 771299429 /nfs/dbraw/zinc/29/94/29/771299429.db2.gz AASWPPABGYTNJK-HIFRSBDPSA-N 1 1 346.435 0.433 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(F)cn3)C[C@H]21 ZINC001056467160 771304646 /nfs/dbraw/zinc/30/46/46/771304646.db2.gz MUDYVFOFFIPNCD-RSUWNVLCSA-N 1 1 329.379 0.264 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(F)cn3)C[C@H]21 ZINC001056467160 771304650 /nfs/dbraw/zinc/30/46/50/771304650.db2.gz MUDYVFOFFIPNCD-RSUWNVLCSA-N 1 1 329.379 0.264 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(F)cn3)C[C@H]21 ZINC001056467221 771304955 /nfs/dbraw/zinc/30/49/55/771304955.db2.gz NUVGECAYBAHOPN-LJISPDSOSA-N 1 1 329.379 0.264 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(F)cn3)C[C@H]21 ZINC001056467221 771304960 /nfs/dbraw/zinc/30/49/60/771304960.db2.gz NUVGECAYBAHOPN-LJISPDSOSA-N 1 1 329.379 0.264 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001056467757 771305711 /nfs/dbraw/zinc/30/57/11/771305711.db2.gz WIUVWMFDFGEETA-XWTMOSNGSA-N 1 1 335.411 0.602 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001056467757 771305715 /nfs/dbraw/zinc/30/57/15/771305715.db2.gz WIUVWMFDFGEETA-XWTMOSNGSA-N 1 1 335.411 0.602 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC(C)(C)C2)c1 ZINC001089487987 771315932 /nfs/dbraw/zinc/31/59/32/771315932.db2.gz QKELOWNMPPCREQ-OAHLLOKOSA-N 1 1 328.416 0.769 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001056489430 771328283 /nfs/dbraw/zinc/32/82/83/771328283.db2.gz QYQIYBXLOUPJAU-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001060732379 771356914 /nfs/dbraw/zinc/35/69/14/771356914.db2.gz HLRSLJZAMXHMPH-ULQDDVLXSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nncn3C)C2)nn1 ZINC001019493741 771357823 /nfs/dbraw/zinc/35/78/23/771357823.db2.gz LVGJUANJTYWNSF-OLZOCXBDSA-N 1 1 344.423 0.548 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnccc3C)C2)C1=O ZINC001031595543 771369113 /nfs/dbraw/zinc/36/91/13/771369113.db2.gz XACXRJPAXKEDMX-MRXNPFEDSA-N 1 1 328.416 0.839 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001056558590 771379307 /nfs/dbraw/zinc/37/93/07/771379307.db2.gz CEXBZFHLCDRDSG-BRWVUGGUSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)C3CCC(O)CC3)C2)C1=O ZINC001031640366 771567041 /nfs/dbraw/zinc/56/70/41/771567041.db2.gz NYZOYAVXVFOZNG-GPANFISMSA-N 1 1 335.448 0.372 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001019617150 771603550 /nfs/dbraw/zinc/60/35/50/771603550.db2.gz OUEBYMPAMDEZCY-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001056796425 771654507 /nfs/dbraw/zinc/65/45/07/771654507.db2.gz PXDZRMVAHZFLEI-DGCLKSJQSA-N 1 1 325.376 0.963 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3ccncc3C#N)C2)C1 ZINC001056930193 771821397 /nfs/dbraw/zinc/82/13/97/771821397.db2.gz DZXJNQBQMLVIOW-RDJZCZTQSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3ccncc3C#N)C2)C1 ZINC001056930193 771821401 /nfs/dbraw/zinc/82/14/01/771821401.db2.gz DZXJNQBQMLVIOW-RDJZCZTQSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(c1ncccc1C#N)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056940464 771836903 /nfs/dbraw/zinc/83/69/03/771836903.db2.gz RIJPWMYIGXTFMP-MRXNPFEDSA-N 1 1 343.431 0.713 20 30 ECEDMO CN(c1ccncc1C#N)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056940634 771837902 /nfs/dbraw/zinc/83/79/02/771837902.db2.gz SSNXLNVJBJYZFF-INIZCTEOSA-N 1 1 343.431 0.713 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3cnc(C#N)cn3)C2)C1 ZINC001057029120 771965943 /nfs/dbraw/zinc/96/59/43/771965943.db2.gz FJDZKGLEOSKSOB-HIFRSBDPSA-N 1 1 328.420 0.727 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C)cn1 ZINC001020127119 772191949 /nfs/dbraw/zinc/19/19/49/772191949.db2.gz VECUHDRYZDBPBH-JQFCIGGWSA-N 1 1 340.427 0.876 20 30 ECEDMO N#CCOc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001020138897 772205678 /nfs/dbraw/zinc/20/56/78/772205678.db2.gz GXHLGQOLMAWJJQ-RRCSTGOVSA-N 1 1 344.371 0.991 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001020158567 772228365 /nfs/dbraw/zinc/22/83/65/772228365.db2.gz DEFPGKRIJNYXPY-CORIIIEPSA-N 1 1 329.404 0.700 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2noc(CCC)n2)C1 ZINC001020250587 772351081 /nfs/dbraw/zinc/35/10/81/772351081.db2.gz IVHVOMAHZRIQHR-KKUMJFAQSA-N 1 1 345.447 0.857 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2noc(CCC)n2)C1 ZINC001020250587 772351083 /nfs/dbraw/zinc/35/10/83/772351083.db2.gz IVHVOMAHZRIQHR-KKUMJFAQSA-N 1 1 345.447 0.857 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001042266345 783008198 /nfs/dbraw/zinc/00/81/98/783008198.db2.gz MQPVAPRNGZUBIX-HIFRSBDPSA-N 1 1 333.432 0.928 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@H]21 ZINC001042267591 783010149 /nfs/dbraw/zinc/01/01/49/783010149.db2.gz YVQAJAOKDQKDSG-UKRRQHHQSA-N 1 1 339.399 0.995 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC(Nc3ccnc(C#N)n3)CC2)C1 ZINC001057346221 772494933 /nfs/dbraw/zinc/49/49/33/772494933.db2.gz LBZNEMYOWJRWPV-ZDUSSCGKSA-N 1 1 328.420 0.515 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(CNc3nccnc3C#N)CC2)C1 ZINC001057502040 772690962 /nfs/dbraw/zinc/69/09/62/772690962.db2.gz ZEUOYOBJDQTORT-AWEZNQCLSA-N 1 1 328.420 0.950 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)CC[N@H+]1C ZINC001057539016 772734415 /nfs/dbraw/zinc/73/44/15/772734415.db2.gz KUYIHPRDDJGPJR-HOCLYGCPSA-N 1 1 335.448 0.067 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057598811 772794596 /nfs/dbraw/zinc/79/45/96/772794596.db2.gz ICRSMNCFFLJREX-HOTGVXAUSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057599024 772795157 /nfs/dbraw/zinc/79/51/57/772795157.db2.gz OHYJCBQNRLGACE-SJORKVTESA-N 1 1 349.475 0.601 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001057602023 772800318 /nfs/dbraw/zinc/80/03/18/772800318.db2.gz QMHLLFRQWNTGPO-UKRRQHHQSA-N 1 1 347.394 0.826 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001057602023 772800322 /nfs/dbraw/zinc/80/03/22/772800322.db2.gz QMHLLFRQWNTGPO-UKRRQHHQSA-N 1 1 347.394 0.826 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057642010 772852843 /nfs/dbraw/zinc/85/28/43/772852843.db2.gz IABIQVOTMIHTBM-KRWDZBQOSA-N 1 1 336.436 0.731 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057655700 772872582 /nfs/dbraw/zinc/87/25/82/772872582.db2.gz QWMPQVBKLOJKNR-CABCVRRESA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057655700 772872589 /nfs/dbraw/zinc/87/25/89/772872589.db2.gz QWMPQVBKLOJKNR-CABCVRRESA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001057717024 772940265 /nfs/dbraw/zinc/94/02/65/772940265.db2.gz JESXQVNBCSYHSL-BBWFWOEESA-N 1 1 347.459 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001057717024 772940266 /nfs/dbraw/zinc/94/02/66/772940266.db2.gz JESXQVNBCSYHSL-BBWFWOEESA-N 1 1 347.459 0.067 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001057774879 772975592 /nfs/dbraw/zinc/97/55/92/772975592.db2.gz YTVURTLVWLEOKO-VNHYZAJKSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001057774879 772975595 /nfs/dbraw/zinc/97/55/95/772975595.db2.gz YTVURTLVWLEOKO-VNHYZAJKSA-N 1 1 344.419 0.470 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057791312 772986785 /nfs/dbraw/zinc/98/67/85/772986785.db2.gz IENVLKALTMLWLP-CQSZACIVSA-N 1 1 328.420 0.633 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC001057821384 773030750 /nfs/dbraw/zinc/03/07/50/773030750.db2.gz CLBMMDBCYMBTKB-HZPDHXFCSA-N 1 1 349.475 0.315 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001057821884 773031897 /nfs/dbraw/zinc/03/18/97/773031897.db2.gz XDBAYCCYDXZARO-INIZCTEOSA-N 1 1 349.475 0.459 20 30 ECEDMO Cc1nc(N2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)ccc1C#N ZINC001057845566 773064039 /nfs/dbraw/zinc/06/40/39/773064039.db2.gz MYIKQUYSECGLIM-MRXNPFEDSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1nc(N2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)ccc1C#N ZINC001057845566 773064044 /nfs/dbraw/zinc/06/40/44/773064044.db2.gz MYIKQUYSECGLIM-MRXNPFEDSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057875647 773112790 /nfs/dbraw/zinc/11/27/90/773112790.db2.gz DQCJCRPMVPXSHK-HNNXBMFYSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057875647 773112793 /nfs/dbraw/zinc/11/27/93/773112793.db2.gz DQCJCRPMVPXSHK-HNNXBMFYSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057877470 773117549 /nfs/dbraw/zinc/11/75/49/773117549.db2.gz SMTKWXSYQGLFLO-HNNXBMFYSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057877470 773117553 /nfs/dbraw/zinc/11/75/53/773117553.db2.gz SMTKWXSYQGLFLO-HNNXBMFYSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(F)=C(C)C ZINC001057961202 773291316 /nfs/dbraw/zinc/29/13/16/773291316.db2.gz MGIYAIZGSZUTEU-AWEZNQCLSA-N 1 1 339.411 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(F)=C(C)C ZINC001057961202 773291319 /nfs/dbraw/zinc/29/13/19/773291319.db2.gz MGIYAIZGSZUTEU-AWEZNQCLSA-N 1 1 339.411 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC(C)(C)C=C ZINC001057962418 773295488 /nfs/dbraw/zinc/29/54/88/773295488.db2.gz VMGNXQCVKRYRHC-INIZCTEOSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC(C)(C)C=C ZINC001057962418 773295495 /nfs/dbraw/zinc/29/54/95/773295495.db2.gz VMGNXQCVKRYRHC-INIZCTEOSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057970526 773310247 /nfs/dbraw/zinc/31/02/47/773310247.db2.gz ZAVDVVMUGKIAAQ-INIZCTEOSA-N 1 1 338.415 0.531 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057970526 773310254 /nfs/dbraw/zinc/31/02/54/773310254.db2.gz ZAVDVVMUGKIAAQ-INIZCTEOSA-N 1 1 338.415 0.531 20 30 ECEDMO Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058134441 773604512 /nfs/dbraw/zinc/60/45/12/773604512.db2.gz FAQGQEPDNXALEP-RDJZCZTQSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058134441 773604513 /nfs/dbraw/zinc/60/45/13/773604513.db2.gz FAQGQEPDNXALEP-RDJZCZTQSA-N 1 1 343.431 0.677 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058157964 773659335 /nfs/dbraw/zinc/65/93/35/773659335.db2.gz MCGCQSFTKHTRJO-OAHLLOKOSA-N 1 1 325.453 0.622 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CCC ZINC001058302324 773936048 /nfs/dbraw/zinc/93/60/48/773936048.db2.gz OKEDZCHNRJEXKR-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3nc(C)cc(C#N)n3)C2)C1 ZINC001058376846 774062085 /nfs/dbraw/zinc/06/20/85/774062085.db2.gz XOSMXVRZDXHKDS-UKRRQHHQSA-N 1 1 344.419 0.072 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3nc(C)cc(C#N)n3)C2)C1 ZINC001058376846 774062090 /nfs/dbraw/zinc/06/20/90/774062090.db2.gz XOSMXVRZDXHKDS-UKRRQHHQSA-N 1 1 344.419 0.072 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058466689 774240251 /nfs/dbraw/zinc/24/02/51/774240251.db2.gz SUZUVPIUOKXPHR-BZUAXINKSA-N 1 1 339.480 0.866 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)C1 ZINC001058521555 774354429 /nfs/dbraw/zinc/35/44/29/774354429.db2.gz OPEZPQPWDLMUQF-DZGCQCFKSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)C1 ZINC001058521555 774354435 /nfs/dbraw/zinc/35/44/35/774354435.db2.gz OPEZPQPWDLMUQF-DZGCQCFKSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nc(CC)ns2)C1 ZINC001058589337 774491321 /nfs/dbraw/zinc/49/13/21/774491321.db2.gz AEMBQFPOHZWDEH-OLZOCXBDSA-N 1 1 333.461 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nc(CC)ns2)C1 ZINC001058589337 774491323 /nfs/dbraw/zinc/49/13/23/774491323.db2.gz AEMBQFPOHZWDEH-OLZOCXBDSA-N 1 1 333.461 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nc(C)cc(C)n2)C1 ZINC001058589913 774492255 /nfs/dbraw/zinc/49/22/55/774492255.db2.gz PLRFFGSQTOWVBE-CVEARBPZSA-N 1 1 327.432 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nc(C)cc(C)n2)C1 ZINC001058589913 774492256 /nfs/dbraw/zinc/49/22/56/774492256.db2.gz PLRFFGSQTOWVBE-CVEARBPZSA-N 1 1 327.432 0.886 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058622999 774559971 /nfs/dbraw/zinc/55/99/71/774559971.db2.gz AZHHXOKTZRAWLV-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO Cc1nc(N2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)ccc1C#N ZINC001044778722 774602865 /nfs/dbraw/zinc/60/28/65/774602865.db2.gz JNJWLGXKJILAJU-OAGGEKHMSA-N 1 1 343.431 0.412 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)c2cc(C)[nH]n2)C1=O ZINC001044946037 774754975 /nfs/dbraw/zinc/75/49/75/774754975.db2.gz RTZBJXGAOKFKBA-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001045102917 774981953 /nfs/dbraw/zinc/98/19/53/774981953.db2.gz PDWKDSMXRUHJFF-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nonc2C)nn1 ZINC001045235618 775195138 /nfs/dbraw/zinc/19/51/38/775195138.db2.gz RTCMBGTWIVCXAT-ZDUSSCGKSA-N 1 1 345.407 0.940 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 ZINC001043890666 775229238 /nfs/dbraw/zinc/22/92/38/775229238.db2.gz NMALDEPWSRBDGK-UHFFFAOYSA-N 1 1 346.431 0.321 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044007705 775499324 /nfs/dbraw/zinc/49/93/24/775499324.db2.gz ULICCBQOQBWHQG-HUUCEWRRSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(C)(NC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001045390660 775525471 /nfs/dbraw/zinc/52/54/71/775525471.db2.gz TVWOXDDWCXVETF-HZPDHXFCSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(C)(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001045390660 775525479 /nfs/dbraw/zinc/52/54/79/775525479.db2.gz TVWOXDDWCXVETF-HZPDHXFCSA-N 1 1 348.491 0.838 20 30 ECEDMO CC1(NC(=O)c2c[nH]c(C#N)c2)CC[NH+](CC(=O)NC2CC2)CC1 ZINC001045411842 775558632 /nfs/dbraw/zinc/55/86/32/775558632.db2.gz XKJOTMPMWHTRBQ-UHFFFAOYSA-N 1 1 329.404 0.749 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3nccnc3C#N)C2)C1 ZINC001068497487 790411201 /nfs/dbraw/zinc/41/12/01/790411201.db2.gz VNSOVOLJMRVQNF-UMVBOHGHSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3nccnc3C#N)C2)C1 ZINC001068497487 790411206 /nfs/dbraw/zinc/41/12/06/790411206.db2.gz VNSOVOLJMRVQNF-UMVBOHGHSA-N 1 1 344.419 0.376 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044302089 776099221 /nfs/dbraw/zinc/09/92/21/776099221.db2.gz GWKRMBIDRFLRJA-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070040808 790423165 /nfs/dbraw/zinc/42/31/65/790423165.db2.gz GXYSPZITZYXSMQ-CABCVRRESA-N 1 1 343.435 0.826 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070040900 790423576 /nfs/dbraw/zinc/42/35/76/790423576.db2.gz KPVUIAVVIOTORE-KGLIPLIRSA-N 1 1 349.826 0.746 20 30 ECEDMO Cc1nsc(N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)c1C#N ZINC001044538985 776409322 /nfs/dbraw/zinc/40/93/22/776409322.db2.gz UZZCSWZKDKWFLT-HONMWMINSA-N 1 1 349.460 0.473 20 30 ECEDMO Cc1nsc(N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)c1C#N ZINC001044538983 776409792 /nfs/dbraw/zinc/40/97/92/776409792.db2.gz UZZCSWZKDKWFLT-GDLCADMTSA-N 1 1 349.460 0.473 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3nnc(C)o3)C2)C1=O ZINC001079659163 776631565 /nfs/dbraw/zinc/63/15/65/776631565.db2.gz VIEWUQKTNOZEKM-BNOWGMLFSA-N 1 1 347.419 0.144 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3nnc(C)o3)C2)C1=O ZINC001079659163 776631573 /nfs/dbraw/zinc/63/15/73/776631573.db2.gz VIEWUQKTNOZEKM-BNOWGMLFSA-N 1 1 347.419 0.144 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001079742761 776786554 /nfs/dbraw/zinc/78/65/54/776786554.db2.gz KLRJKYKNMMYDNS-QGZVFWFLSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001079774594 776845681 /nfs/dbraw/zinc/84/56/81/776845681.db2.gz GZNVZKACPRWCSM-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001079775138 776847502 /nfs/dbraw/zinc/84/75/02/776847502.db2.gz UGOALQKTGDDRKN-JYJNAYRXSA-N 1 1 349.475 0.814 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070065643 790490050 /nfs/dbraw/zinc/49/00/50/790490050.db2.gz BNVFBJKZWXOEGK-VYDXJSESSA-N 1 1 331.420 0.460 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001079855678 776985841 /nfs/dbraw/zinc/98/58/41/776985841.db2.gz LPAQEKJHUMTMDJ-NFAWXSAZSA-N 1 1 344.415 0.529 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001079855678 776985851 /nfs/dbraw/zinc/98/58/51/776985851.db2.gz LPAQEKJHUMTMDJ-NFAWXSAZSA-N 1 1 344.415 0.529 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001079855679 776985882 /nfs/dbraw/zinc/98/58/82/776985882.db2.gz LPAQEKJHUMTMDJ-UMVBOHGHSA-N 1 1 344.415 0.529 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001079855679 776985892 /nfs/dbraw/zinc/98/58/92/776985892.db2.gz LPAQEKJHUMTMDJ-UMVBOHGHSA-N 1 1 344.415 0.529 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@H]1C ZINC001079879543 777013155 /nfs/dbraw/zinc/01/31/55/777013155.db2.gz XXWHUNBALCGOSQ-KFWWJZLASA-N 1 1 345.447 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@H]1C ZINC001079879543 777013161 /nfs/dbraw/zinc/01/31/61/777013161.db2.gz XXWHUNBALCGOSQ-KFWWJZLASA-N 1 1 345.447 0.666 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CN(C(=O)C#CC(C)C)C1 ZINC001079899685 777043923 /nfs/dbraw/zinc/04/39/23/777043923.db2.gz IFDRVAXBBWHJFP-WBVHZDCISA-N 1 1 347.459 0.568 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001079899591 777044262 /nfs/dbraw/zinc/04/42/62/777044262.db2.gz GGGWLKYUWOLJDJ-NVXWUHKLSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001079917398 777075328 /nfs/dbraw/zinc/07/53/28/777075328.db2.gz BGCWMMUCJXBROG-DOTOQJQBSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001079917752 777077042 /nfs/dbraw/zinc/07/70/42/777077042.db2.gz OIRKCSBOOGZJGX-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079931435 777107680 /nfs/dbraw/zinc/10/76/80/777107680.db2.gz UXQNORMZDFETLN-CVEARBPZSA-N 1 1 337.464 0.977 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001079982252 777190182 /nfs/dbraw/zinc/19/01/82/777190182.db2.gz BXQLRCISEVMQHZ-AWEZNQCLSA-N 1 1 334.420 0.842 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001080081552 777355111 /nfs/dbraw/zinc/35/51/11/777355111.db2.gz PZDBGDTVTYKWDT-CZUORRHYSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2OC)[C@@H](n2ccnn2)C1 ZINC001070082878 790543107 /nfs/dbraw/zinc/54/31/07/790543107.db2.gz ZNHYGKXOHOMQLI-CVEARBPZSA-N 1 1 339.399 0.965 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2OC)[C@@H](n2ccnn2)C1 ZINC001070082878 790543117 /nfs/dbraw/zinc/54/31/17/790543117.db2.gz ZNHYGKXOHOMQLI-CVEARBPZSA-N 1 1 339.399 0.965 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001080229826 777584659 /nfs/dbraw/zinc/58/46/59/777584659.db2.gz FFFLGIBZUPRFNJ-ZIAGYGMSSA-N 1 1 329.404 0.509 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001080304823 777662850 /nfs/dbraw/zinc/66/28/50/777662850.db2.gz DKCKQAOZGNRVIB-GDBMZVCRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001080304823 777662856 /nfs/dbraw/zinc/66/28/56/777662856.db2.gz DKCKQAOZGNRVIB-GDBMZVCRSA-N 1 1 337.464 0.979 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001043104246 777734135 /nfs/dbraw/zinc/73/41/35/777734135.db2.gz LUSSJDBTRALRIP-DAXOMENPSA-N 1 1 343.431 0.851 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001043104246 777734140 /nfs/dbraw/zinc/73/41/40/777734140.db2.gz LUSSJDBTRALRIP-DAXOMENPSA-N 1 1 343.431 0.851 20 30 ECEDMO C=CCN1CC[C@@H](N2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001080382533 777773315 /nfs/dbraw/zinc/77/33/15/777773315.db2.gz PWPYRRVXLQASCH-DJIMGWMZSA-N 1 1 348.491 0.552 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043132701 777793351 /nfs/dbraw/zinc/79/33/51/777793351.db2.gz IROGECKEYBTUQY-ZDUSSCGKSA-N 1 1 334.420 0.483 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001080532616 777972036 /nfs/dbraw/zinc/97/20/36/777972036.db2.gz QKOKYRSZCOCWPM-QGZVFWFLSA-N 1 1 325.453 0.715 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001043211831 777972999 /nfs/dbraw/zinc/97/29/99/777972999.db2.gz YBQDJBYVKXQUDH-KBRIMQKVSA-N 1 1 343.431 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001043211831 777973004 /nfs/dbraw/zinc/97/30/04/777973004.db2.gz YBQDJBYVKXQUDH-KBRIMQKVSA-N 1 1 343.431 0.933 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001043211772 777973091 /nfs/dbraw/zinc/97/30/91/777973091.db2.gz VYPFVTZWWOXTRG-BPLDGKMQSA-N 1 1 344.419 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001043211772 777973098 /nfs/dbraw/zinc/97/30/98/777973098.db2.gz VYPFVTZWWOXTRG-BPLDGKMQSA-N 1 1 344.419 0.328 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001080533784 777975580 /nfs/dbraw/zinc/97/55/80/777975580.db2.gz SJFZRCHSISGMRM-UHFFFAOYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001043235612 778026603 /nfs/dbraw/zinc/02/66/03/778026603.db2.gz WIISETVXMOQGNV-CABCVRRESA-N 1 1 335.448 0.659 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080560099 778039743 /nfs/dbraw/zinc/03/97/43/778039743.db2.gz WABTXVVEOXGTSH-HUUCEWRRSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080560098 778039778 /nfs/dbraw/zinc/03/97/78/778039778.db2.gz WABTXVVEOXGTSH-GJZGRUSLSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001043273302 778079793 /nfs/dbraw/zinc/07/97/93/778079793.db2.gz ZPXLGBCUGZDAST-JKSUJKDBSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](n2ccnn2)C1 ZINC001070096230 790591775 /nfs/dbraw/zinc/59/17/75/790591775.db2.gz ONFDQCBGEOCVHF-CABCVRRESA-N 1 1 329.408 0.401 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001043357052 778218651 /nfs/dbraw/zinc/21/86/51/778218651.db2.gz IJPUSRRWFWOUPY-HNNXBMFYSA-N 1 1 331.420 0.121 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)O2 ZINC001068574855 790611990 /nfs/dbraw/zinc/61/19/90/790611990.db2.gz BUVQSBIPRXUASR-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102285 790612340 /nfs/dbraw/zinc/61/23/40/790612340.db2.gz AOLXVROSBSUNAF-IKGGRYGDSA-N 1 1 344.463 0.517 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)N2CCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070102796 790613186 /nfs/dbraw/zinc/61/31/86/790613186.db2.gz WYLKEYDOYXCALB-ZNMIVQPWSA-N 1 1 346.435 0.207 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)N2CCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070102796 790613192 /nfs/dbraw/zinc/61/31/92/790613192.db2.gz WYLKEYDOYXCALB-ZNMIVQPWSA-N 1 1 346.435 0.207 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001043537110 778491008 /nfs/dbraw/zinc/49/10/08/778491008.db2.gz SCEBVDXJBPVVMH-UHFFFAOYSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCCOCC(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001043568803 778526439 /nfs/dbraw/zinc/52/64/39/778526439.db2.gz OIAKAOOWKDCQEW-UHFFFAOYSA-N 1 1 341.452 0.001 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001043571823 778530643 /nfs/dbraw/zinc/53/06/43/778530643.db2.gz PCYYNTPMEWUPGI-LXTVHRRPSA-N 1 1 342.447 0.759 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001043663038 778684107 /nfs/dbraw/zinc/68/41/07/778684107.db2.gz WLFGLHOUWDOMKW-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043678354 778707670 /nfs/dbraw/zinc/70/76/70/778707670.db2.gz GSROZXVONNKOJL-CVEARBPZSA-N 1 1 347.459 0.496 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001043799367 778884082 /nfs/dbraw/zinc/88/40/82/778884082.db2.gz CDAICYHJMOXZGP-MRXNPFEDSA-N 1 1 349.475 0.456 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)C#CC3CC3)C2)O1 ZINC001068598687 790678095 /nfs/dbraw/zinc/67/80/95/790678095.db2.gz URPDPQBOVDUQFF-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3nccnc3C#N)C2)O1 ZINC001068614758 790714017 /nfs/dbraw/zinc/71/40/17/790714017.db2.gz GHITYWCCBWNLAA-RGCMKSIDSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3nccnc3C#N)C2)O1 ZINC001068614758 790714023 /nfs/dbraw/zinc/71/40/23/790714023.db2.gz GHITYWCCBWNLAA-RGCMKSIDSA-N 1 1 344.419 0.374 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@H]21 ZINC001042293644 780009683 /nfs/dbraw/zinc/00/96/83/780009683.db2.gz HQXKXVGHFDLPRV-LSDHHAIUSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@H]21 ZINC001042293644 780009694 /nfs/dbraw/zinc/00/96/94/780009694.db2.gz HQXKXVGHFDLPRV-LSDHHAIUSA-N 1 1 338.473 0.900 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 ZINC001042309170 780045842 /nfs/dbraw/zinc/04/58/42/780045842.db2.gz AKLCROFVGJOWFV-JSGCOSHPSA-N 1 1 342.403 0.530 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]21 ZINC001042312807 780054551 /nfs/dbraw/zinc/05/45/51/780054551.db2.gz QDGBYODFXYYFTO-QWRGUYRKSA-N 1 1 334.376 0.619 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC)[C@H]3C2)cn1 ZINC001042320674 780068209 /nfs/dbraw/zinc/06/82/09/780068209.db2.gz SUNOUFFSURAEQW-BBRMVZONSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC)[C@H]3C2)cn1 ZINC001042320674 780068213 /nfs/dbraw/zinc/06/82/13/780068213.db2.gz SUNOUFFSURAEQW-BBRMVZONSA-N 1 1 326.400 0.345 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001042350331 780117033 /nfs/dbraw/zinc/11/70/33/780117033.db2.gz YGFXRNNLBDHCNF-QWHCGFSZSA-N 1 1 327.388 0.135 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001070157499 790777950 /nfs/dbraw/zinc/77/79/50/790777950.db2.gz ZWLCUMKGKGPYKT-MCIONIFRSA-N 1 1 339.827 0.799 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001078964813 780661108 /nfs/dbraw/zinc/66/11/08/780661108.db2.gz WRJJCKCQVNTWEX-IAGOWNOFSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079129757 780789537 /nfs/dbraw/zinc/78/95/37/780789537.db2.gz FIQSOIYGFHWEPA-GUDVDZBRSA-N 1 1 341.455 0.788 20 30 ECEDMO CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001042776110 780796015 /nfs/dbraw/zinc/79/60/15/780796015.db2.gz FXTDGOQUJHZONX-HLLBOEOZSA-N 1 1 343.431 0.676 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042801767 780846354 /nfs/dbraw/zinc/84/63/54/780846354.db2.gz SWHSZUDXTNKDCS-MRXNPFEDSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001042801864 780847068 /nfs/dbraw/zinc/84/70/68/780847068.db2.gz WXKRIYXHZFOBHD-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO CN(c1cncc(C#N)n1)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001068664108 790836620 /nfs/dbraw/zinc/83/66/20/790836620.db2.gz UBDZOOHEQHIROV-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1cncc(C#N)n1)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001068664108 790836635 /nfs/dbraw/zinc/83/66/35/790836635.db2.gz UBDZOOHEQHIROV-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21 ZINC001079273864 780950039 /nfs/dbraw/zinc/95/00/39/780950039.db2.gz SYGAXJJLJZHZQJ-JKSUJKDBSA-N 1 1 343.431 0.655 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001079343619 781007610 /nfs/dbraw/zinc/00/76/10/781007610.db2.gz OLCQWAPXNQJWAQ-UHFFFAOYSA-N 1 1 335.433 0.508 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001079345142 781011156 /nfs/dbraw/zinc/01/11/56/781011156.db2.gz ZRDDJCSPBDMUIR-TZMCWYRMSA-N 1 1 338.477 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2noc(C3CC3)n2)C1 ZINC001042962847 781105736 /nfs/dbraw/zinc/10/57/36/781105736.db2.gz LJWPPBMYRUQXDV-HNNXBMFYSA-N 1 1 343.431 0.687 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2noc(C3CC3)n2)C1 ZINC001042962847 781105739 /nfs/dbraw/zinc/10/57/39/781105739.db2.gz LJWPPBMYRUQXDV-HNNXBMFYSA-N 1 1 343.431 0.687 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001042965799 781111230 /nfs/dbraw/zinc/11/12/30/781111230.db2.gz IYUWLXCZNJGWKE-SFHVURJKSA-N 1 1 347.459 0.211 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042976976 781127861 /nfs/dbraw/zinc/12/78/61/781127861.db2.gz BHKSZQKCWMHSMH-NUEKZKHPSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CCCC(=O)N(CC)C1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001079474150 781158070 /nfs/dbraw/zinc/15/80/70/781158070.db2.gz PPMRFKIZRITILF-INIZCTEOSA-N 1 1 347.463 0.839 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001043010847 781176169 /nfs/dbraw/zinc/17/61/69/781176169.db2.gz CXSJENYXYLDFBS-DTZQCDIJSA-N 1 1 343.431 0.613 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001079563144 781267280 /nfs/dbraw/zinc/26/72/80/781267280.db2.gz SWYUVSPWFXFIRG-BPLDGKMQSA-N 1 1 344.415 0.624 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(C)c3)C2)C1=O ZINC001079569798 781271251 /nfs/dbraw/zinc/27/12/51/781271251.db2.gz CBTZVEILABLPBF-BMFZPTHFSA-N 1 1 330.432 0.862 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(C)c3)C2)C1=O ZINC001079569798 781271252 /nfs/dbraw/zinc/27/12/52/781271252.db2.gz CBTZVEILABLPBF-BMFZPTHFSA-N 1 1 330.432 0.862 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001079589896 781292715 /nfs/dbraw/zinc/29/27/15/781292715.db2.gz RAUNJFVPOSAZPE-DAXOMENPSA-N 1 1 341.415 0.723 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001079589896 781292721 /nfs/dbraw/zinc/29/27/21/781292721.db2.gz RAUNJFVPOSAZPE-DAXOMENPSA-N 1 1 341.415 0.723 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(Cc3cnon3)C2)C1 ZINC001041366792 781364010 /nfs/dbraw/zinc/36/40/10/781364010.db2.gz BWVDEEQGCCSZMC-WMZOPIPTSA-N 1 1 343.431 0.592 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(Cc3cnon3)C2)C1 ZINC001041366792 781364014 /nfs/dbraw/zinc/36/40/14/781364014.db2.gz BWVDEEQGCCSZMC-WMZOPIPTSA-N 1 1 343.431 0.592 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077625791 781375695 /nfs/dbraw/zinc/37/56/95/781375695.db2.gz UWAWVPILGRUWSB-QCTRZYONSA-N 1 1 347.459 0.520 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]2O)CC1 ZINC001077626033 781377229 /nfs/dbraw/zinc/37/72/29/781377229.db2.gz STAUEJMBXUIITD-GVDBMIGSSA-N 1 1 348.447 0.152 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3ncon3)c2)C1 ZINC001077661422 781449691 /nfs/dbraw/zinc/44/96/91/781449691.db2.gz SPAIGOKVPUPWKK-HUUCEWRRSA-N 1 1 326.356 0.535 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001041422774 781475481 /nfs/dbraw/zinc/47/54/81/781475481.db2.gz QISNKAARILAXQW-MRXNPFEDSA-N 1 1 326.462 0.922 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O ZINC001077675241 781479410 /nfs/dbraw/zinc/47/94/10/781479410.db2.gz GMDWAWKWWPWAKW-BMGDILEWSA-N 1 1 342.443 0.704 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077679289 781493930 /nfs/dbraw/zinc/49/39/30/781493930.db2.gz MXGGOWKZBDGYOW-BHIYHBOVSA-N 1 1 341.455 0.541 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@]3(CCN(C(=O)c4cn[nH]n4)C3)C2)C1=O ZINC001041435121 781507666 /nfs/dbraw/zinc/50/76/66/781507666.db2.gz OUQURWIJTFYZTG-PBHICJAKSA-N 1 1 344.419 0.130 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC001041448523 781539122 /nfs/dbraw/zinc/53/91/22/781539122.db2.gz FPAFTHXMSPSWAZ-KRWDZBQOSA-N 1 1 332.404 0.449 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)c1 ZINC001077706304 781554344 /nfs/dbraw/zinc/55/43/44/781554344.db2.gz DUSBIPMZEWTQMJ-ZKXLYKBJSA-N 1 1 341.411 0.787 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)c1 ZINC001077706304 781554350 /nfs/dbraw/zinc/55/43/50/781554350.db2.gz DUSBIPMZEWTQMJ-ZKXLYKBJSA-N 1 1 341.411 0.787 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041482191 781604244 /nfs/dbraw/zinc/60/42/44/781604244.db2.gz MDXWXPYGHBSBDP-GJYPPUQNSA-N 1 1 347.459 0.747 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC001041499642 781636778 /nfs/dbraw/zinc/63/67/78/781636778.db2.gz XVVAMFFPMFNEPQ-YJBOKZPZSA-N 1 1 341.415 0.313 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCCS3(=O)=O)C2)C1 ZINC001041510171 781667143 /nfs/dbraw/zinc/66/71/43/781667143.db2.gz VDHABJVQBUGLME-WBVHZDCISA-N 1 1 338.473 0.901 20 30 ECEDMO Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001077813046 781742314 /nfs/dbraw/zinc/74/23/14/781742314.db2.gz YBNXKANABYNQPQ-HUUCEWRRSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001077813046 781742320 /nfs/dbraw/zinc/74/23/20/781742320.db2.gz YBNXKANABYNQPQ-HUUCEWRRSA-N 1 1 325.372 0.565 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001077849867 781814773 /nfs/dbraw/zinc/81/47/73/781814773.db2.gz SFCCVRQJJFWTRZ-HUUCEWRRSA-N 1 1 325.372 0.270 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040811878 783485858 /nfs/dbraw/zinc/48/58/58/783485858.db2.gz FODFRXSDMIQRRK-ZWKOTPCHSA-N 1 1 348.447 0.873 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001040105859 783558862 /nfs/dbraw/zinc/55/88/62/783558862.db2.gz AQPOIZGPMYECFS-QFBILLFUSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1 ZINC001070171475 783589731 /nfs/dbraw/zinc/58/97/31/783589731.db2.gz FIGZLUJPZDRUTM-KGLIPLIRSA-N 1 1 345.794 0.886 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207967 783658882 /nfs/dbraw/zinc/65/88/82/783658882.db2.gz YDUWTMYPUDVEBD-BBWFWOEESA-N 1 1 344.463 0.231 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207967 783658887 /nfs/dbraw/zinc/65/88/87/783658887.db2.gz YDUWTMYPUDVEBD-BBWFWOEESA-N 1 1 344.463 0.231 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@@H]1n1ccnn1 ZINC001070247898 783736253 /nfs/dbraw/zinc/73/62/53/783736253.db2.gz JQCBDUZMMXRHSA-MNOVXSKESA-N 1 1 336.787 0.112 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070254173 783748349 /nfs/dbraw/zinc/74/83/49/783748349.db2.gz BWZIXOKTSLKEHZ-HOCLYGCPSA-N 1 1 347.459 0.379 20 30 ECEDMO C=CCCC(=O)NCC1(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCOCC1 ZINC001070254554 783751268 /nfs/dbraw/zinc/75/12/68/783751268.db2.gz OTGBKUHFAFTZBI-LSDHHAIUSA-N 1 1 337.464 0.932 20 30 ECEDMO C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326949 783832206 /nfs/dbraw/zinc/83/22/06/783832206.db2.gz LBFKOCNWVIBRBP-MCIONIFRSA-N 1 1 338.843 0.324 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2cc(C#N)ccc2F)C1 ZINC001038135749 783901977 /nfs/dbraw/zinc/90/19/77/783901977.db2.gz JMYUFLUCOCMLNK-DOTOQJQBSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2cc(C#N)ccc2F)C1 ZINC001038135749 783901982 /nfs/dbraw/zinc/90/19/82/783901982.db2.gz JMYUFLUCOCMLNK-DOTOQJQBSA-N 1 1 346.406 0.718 20 30 ECEDMO C=C(Br)CN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038137704 783904975 /nfs/dbraw/zinc/90/49/75/783904975.db2.gz QPPKUXQJFIZBOQ-VXGBXAGGSA-N 1 1 332.242 0.416 20 30 ECEDMO C=C(Br)CN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038137704 783904978 /nfs/dbraw/zinc/90/49/78/783904978.db2.gz QPPKUXQJFIZBOQ-VXGBXAGGSA-N 1 1 332.242 0.416 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnns2)C1 ZINC001070384864 783926086 /nfs/dbraw/zinc/92/60/86/783926086.db2.gz OSUQSKZKSDPUPU-ZDUSSCGKSA-N 1 1 343.412 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnns2)C1 ZINC001070384864 783926089 /nfs/dbraw/zinc/92/60/89/783926089.db2.gz OSUQSKZKSDPUPU-ZDUSSCGKSA-N 1 1 343.412 0.949 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCNC(=O)C2)c1 ZINC001038160653 783931707 /nfs/dbraw/zinc/93/17/07/783931707.db2.gz GXCNHQMITUATIB-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCNC(=O)C2)c1 ZINC001038160653 783931713 /nfs/dbraw/zinc/93/17/13/783931713.db2.gz GXCNHQMITUATIB-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CCN1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070388969 783939322 /nfs/dbraw/zinc/93/93/22/783939322.db2.gz WBXLRSHKDZIDRA-SJORKVTESA-N 1 1 342.443 0.736 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001070404795 783982421 /nfs/dbraw/zinc/98/24/21/783982421.db2.gz OZFSTAJNVZZPLI-NWDGAFQWSA-N 1 1 342.403 0.710 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2N)C1 ZINC001070406519 783987460 /nfs/dbraw/zinc/98/74/60/783987460.db2.gz XFZXHYTWVPNEPL-NSHDSACASA-N 1 1 329.408 0.631 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001070409466 783996807 /nfs/dbraw/zinc/99/68/07/783996807.db2.gz FGVRJYSHHYLCKN-VNHYZAJKSA-N 1 1 343.431 0.363 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001070411311 784000320 /nfs/dbraw/zinc/00/03/20/784000320.db2.gz KMPAOXXXBBVKQI-UONOGXRCSA-N 1 1 345.447 0.870 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001070413142 784007911 /nfs/dbraw/zinc/00/79/11/784007911.db2.gz UNYMTJKSKVKHSQ-ZENOOKHLSA-N 1 1 334.420 0.805 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001070417762 784020776 /nfs/dbraw/zinc/02/07/76/784020776.db2.gz BDYQPWAEWQTGEO-KGLIPLIRSA-N 1 1 345.447 0.918 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001070429818 784048597 /nfs/dbraw/zinc/04/85/97/784048597.db2.gz RRMACLDIKRICFB-KMFMINBZSA-N 1 1 348.447 0.789 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(CC)nn2)C1 ZINC001070431533 784053113 /nfs/dbraw/zinc/05/31/13/784053113.db2.gz XWHQFJICNAHYOU-CYBMUJFWSA-N 1 1 341.419 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001070432262 784055449 /nfs/dbraw/zinc/05/54/49/784055449.db2.gz AETUVSZKNYPDLB-GFCCVEGCSA-N 1 1 337.387 0.738 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070443041 784089274 /nfs/dbraw/zinc/08/92/74/784089274.db2.gz VVHVNTIWNQHGMD-UONOGXRCSA-N 1 1 331.420 0.563 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001070915052 784105833 /nfs/dbraw/zinc/10/58/33/784105833.db2.gz NOLHGDWGGDRBFE-BNOWGMLFSA-N 1 1 346.391 0.100 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001070915052 784105838 /nfs/dbraw/zinc/10/58/38/784105838.db2.gz NOLHGDWGGDRBFE-BNOWGMLFSA-N 1 1 346.391 0.100 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)Cc1ncc[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070449154 784106441 /nfs/dbraw/zinc/10/64/41/784106441.db2.gz MKPVGYYRWAJHOI-ZDUSSCGKSA-N 1 1 341.419 0.493 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@]1(C)CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448979 784106719 /nfs/dbraw/zinc/10/67/19/784106719.db2.gz HOWOAKBSVMCSQM-PBHICJAKSA-N 1 1 345.447 0.954 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ccnnc1)C[C@H]2c1nnc(C)[nH]1 ZINC001070449635 784107155 /nfs/dbraw/zinc/10/71/55/784107155.db2.gz UPJSJFYKHIFKNW-AWEZNQCLSA-N 1 1 339.403 0.631 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnns2)C1 ZINC001070476572 784158876 /nfs/dbraw/zinc/15/88/76/784158876.db2.gz RLVLZURIGDDTRF-VHRBIJSZSA-N 1 1 345.432 0.515 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001070936794 784159618 /nfs/dbraw/zinc/15/96/18/784159618.db2.gz TYZGHVHMVLDZJI-UHFFFAOYSA-N 1 1 332.404 0.160 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001070936794 784159626 /nfs/dbraw/zinc/15/96/26/784159626.db2.gz TYZGHVHMVLDZJI-UHFFFAOYSA-N 1 1 332.404 0.160 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)c2C)CC1 ZINC001070937753 784163675 /nfs/dbraw/zinc/16/36/75/784163675.db2.gz WEMMPYFLXDWVDI-UHFFFAOYSA-N 1 1 347.463 0.959 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccon2)CC1 ZINC001070948329 784197221 /nfs/dbraw/zinc/19/72/21/784197221.db2.gz HNNBRWOWOBQEME-UHFFFAOYSA-N 1 1 334.420 0.834 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC001070948557 784197599 /nfs/dbraw/zinc/19/75/99/784197599.db2.gz RDAWORPMMZMAMG-GJZGRUSLSA-N 1 1 336.436 0.366 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC001070948557 784197602 /nfs/dbraw/zinc/19/76/02/784197602.db2.gz RDAWORPMMZMAMG-GJZGRUSLSA-N 1 1 336.436 0.366 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)c2nccnc2C#N)CC1 ZINC001068727032 791005729 /nfs/dbraw/zinc/00/57/29/791005729.db2.gz BNMKXDWDEZALGF-ZFWWWQNUSA-N 1 1 342.447 0.973 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001070534500 784240128 /nfs/dbraw/zinc/24/01/28/784240128.db2.gz XOKSSMOFONVNFF-BWRBCVJASA-N 1 1 347.459 0.923 20 30 ECEDMO N#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001070963427 784244080 /nfs/dbraw/zinc/24/40/80/784244080.db2.gz QPGUOQYCZPEDKO-HOTGVXAUSA-N 1 1 347.463 0.035 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO[C@@H]2CC)CC1 ZINC001070969403 784264124 /nfs/dbraw/zinc/26/41/24/784264124.db2.gz PPEVXKCGHODGNF-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO[C@@H]2CC)CC1 ZINC001070969403 784264129 /nfs/dbraw/zinc/26/41/29/784264129.db2.gz PPEVXKCGHODGNF-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO[C@H]2CC)CC1 ZINC001070969405 784264747 /nfs/dbraw/zinc/26/47/47/784264747.db2.gz PPEVXKCGHODGNF-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO[C@H]2CC)CC1 ZINC001070969405 784264756 /nfs/dbraw/zinc/26/47/56/784264756.db2.gz PPEVXKCGHODGNF-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001070971740 784276703 /nfs/dbraw/zinc/27/67/03/784276703.db2.gz PBRSWCQTOMSYMC-KRWDZBQOSA-N 1 1 348.491 0.535 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001070981465 784311223 /nfs/dbraw/zinc/31/12/23/784311223.db2.gz BZKLMYWXVSZJKQ-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001070981465 784311229 /nfs/dbraw/zinc/31/12/29/784311229.db2.gz BZKLMYWXVSZJKQ-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C(F)(F)F)CC1 ZINC001070985548 784326941 /nfs/dbraw/zinc/32/69/41/784326941.db2.gz QVOIMKKKQCQFQM-LBPRGKRZSA-N 1 1 333.354 0.859 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C(F)(F)F)CC1 ZINC001070985548 784326947 /nfs/dbraw/zinc/32/69/47/784326947.db2.gz QVOIMKKKQCQFQM-LBPRGKRZSA-N 1 1 333.354 0.859 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001070992796 784348170 /nfs/dbraw/zinc/34/81/70/784348170.db2.gz YLSOTTHOCRTTEW-MRXNPFEDSA-N 1 1 327.400 0.342 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001070992796 784348172 /nfs/dbraw/zinc/34/81/72/784348172.db2.gz YLSOTTHOCRTTEW-MRXNPFEDSA-N 1 1 327.400 0.342 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001071000226 784370188 /nfs/dbraw/zinc/37/01/88/784370188.db2.gz TWGROTLRZORAHL-MRXNPFEDSA-N 1 1 334.464 0.002 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 ZINC001071001197 784374276 /nfs/dbraw/zinc/37/42/76/784374276.db2.gz KNDJSGMFXVLIAW-CVEARBPZSA-N 1 1 333.432 0.251 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 ZINC001071001197 784374285 /nfs/dbraw/zinc/37/42/85/784374285.db2.gz KNDJSGMFXVLIAW-CVEARBPZSA-N 1 1 333.432 0.251 20 30 ECEDMO N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001071008148 784393836 /nfs/dbraw/zinc/39/38/36/784393836.db2.gz KVTXCFYVBSGOPJ-HOTGVXAUSA-N 1 1 347.463 0.177 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@@H](C)C2)CC1 ZINC001071009356 784399893 /nfs/dbraw/zinc/39/98/93/784399893.db2.gz MOERHBFSBSZTES-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@@H](C)C2)CC1 ZINC001071009356 784399901 /nfs/dbraw/zinc/39/99/01/784399901.db2.gz MOERHBFSBSZTES-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]c2)n1 ZINC001070601697 784418079 /nfs/dbraw/zinc/41/80/79/784418079.db2.gz QKXZVGFVEQUWCK-UONOGXRCSA-N 1 1 328.376 0.581 20 30 ECEDMO CC#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCOC2)n1 ZINC001070601325 784418137 /nfs/dbraw/zinc/41/81/37/784418137.db2.gz HHAUYDOMJCMQTR-HRCADAONSA-N 1 1 346.431 0.971 20 30 ECEDMO C#CCC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cc[nH]n2)n1 ZINC001070601514 784418549 /nfs/dbraw/zinc/41/85/49/784418549.db2.gz LBZKZHZKVHXNCG-UONOGXRCSA-N 1 1 342.403 0.971 20 30 ECEDMO CC#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ncc[nH]2)n1 ZINC001070602715 784420714 /nfs/dbraw/zinc/42/07/14/784420714.db2.gz ZHDCVYZBFZGOPU-UONOGXRCSA-N 1 1 342.403 0.971 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2[nH]cnc2CC)CC1 ZINC001071018468 784432913 /nfs/dbraw/zinc/43/29/13/784432913.db2.gz UBWYPSYATANTNY-UHFFFAOYSA-N 1 1 331.420 0.260 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2[nH]cnc2CC)CC1 ZINC001071018468 784432918 /nfs/dbraw/zinc/43/29/18/784432918.db2.gz UBWYPSYATANTNY-UHFFFAOYSA-N 1 1 331.420 0.260 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C ZINC001070702035 784568591 /nfs/dbraw/zinc/56/85/91/784568591.db2.gz JMJRUGYMLORCCW-GHMZBOCLSA-N 1 1 335.799 0.489 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCOCC1)C[C@@H](C)O2 ZINC001071156901 784620507 /nfs/dbraw/zinc/62/05/07/784620507.db2.gz OENCEJUXSQQCRE-SJLPKXTDSA-N 1 1 335.448 0.034 20 30 ECEDMO C[NH+]1CCC(C(=O)NCc2n[nH]c([C@H]3C[C@H](F)CN3CC#N)n2)CC1 ZINC001070733525 784627734 /nfs/dbraw/zinc/62/77/34/784627734.db2.gz IFHPOTUSNURCRH-QWHCGFSZSA-N 1 1 349.414 0.371 20 30 ECEDMO C[NH+]1CCC(C(=O)NCc2nnc([C@H]3C[C@H](F)CN3CC#N)[nH]2)CC1 ZINC001070733525 784627739 /nfs/dbraw/zinc/62/77/39/784627739.db2.gz IFHPOTUSNURCRH-QWHCGFSZSA-N 1 1 349.414 0.371 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@@H](C)O2 ZINC001071166556 784641222 /nfs/dbraw/zinc/64/12/22/784641222.db2.gz JYYBBGQQUMFAJV-DYVFJYSZSA-N 1 1 331.420 0.371 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)O1 ZINC001071167160 784643917 /nfs/dbraw/zinc/64/39/17/784643917.db2.gz UTYVTOGJCFAMAB-KDOFPFPSSA-N 1 1 333.432 0.180 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)O1 ZINC001071167160 784643921 /nfs/dbraw/zinc/64/39/21/784643921.db2.gz UTYVTOGJCFAMAB-KDOFPFPSSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn(C)c1C)C[C@@H](C)O2 ZINC001071172945 784657101 /nfs/dbraw/zinc/65/71/01/784657101.db2.gz CCROPUZTLHHINH-DNVCBOLYSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(C)nc1OC)C[C@H](C)O2 ZINC001071173442 784659061 /nfs/dbraw/zinc/65/90/61/784659061.db2.gz INODZZHRPSPFDI-UGSOOPFHSA-N 1 1 344.415 0.732 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(C)nc1OC)C[C@H](C)O2 ZINC001071173442 784659068 /nfs/dbraw/zinc/65/90/68/784659068.db2.gz INODZZHRPSPFDI-UGSOOPFHSA-N 1 1 344.415 0.732 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)C[C@H](C)O2 ZINC001071176486 784666768 /nfs/dbraw/zinc/66/67/68/784666768.db2.gz WJRDQEPHCTVSQW-KBXCAEBGSA-N 1 1 328.416 0.768 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(C)nc1C)C[C@@H](C)O2 ZINC001071178722 784673289 /nfs/dbraw/zinc/67/32/89/784673289.db2.gz VEUQUXAHXOEGSU-BEFAXECRSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnn1CCOC)C[C@H](C)O2 ZINC001071181657 784680312 /nfs/dbraw/zinc/68/03/12/784680312.db2.gz ZFWXQKAFJQKXJJ-MAUKXSAKSA-N 1 1 346.431 0.468 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1C(=O)CCC1=O)C[C@@H](C)O2 ZINC001071186744 784691546 /nfs/dbraw/zinc/69/15/46/784691546.db2.gz XMQLMANZULMPGV-KDOFPFPSSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@H](C)O2 ZINC001071189490 784693827 /nfs/dbraw/zinc/69/38/27/784693827.db2.gz LUJNMAFXWACRTF-SUMWQHHRSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@H](C)O2 ZINC001071189490 784693832 /nfs/dbraw/zinc/69/38/32/784693832.db2.gz LUJNMAFXWACRTF-SUMWQHHRSA-N 1 1 332.404 0.367 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071191396 784701328 /nfs/dbraw/zinc/70/13/28/784701328.db2.gz FVHJHTODWUKPGX-ACJLOTCBSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccc(=O)[nH]c1)C[C@@H](C)O2 ZINC001071192028 784704111 /nfs/dbraw/zinc/70/41/11/784704111.db2.gz LHSGBAHJEUTMNJ-RDTXWAMCSA-N 1 1 329.400 0.655 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1nccn1C)C[C@@H](C)O2 ZINC001071194747 784710707 /nfs/dbraw/zinc/71/07/07/784710707.db2.gz NQCFRIWBGLSLMA-QAPCUYQASA-N 1 1 330.432 0.678 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@@H](C)O2 ZINC001071199693 784720739 /nfs/dbraw/zinc/72/07/39/784720739.db2.gz OVIBVTGNKDXMBL-CXAGYDPISA-N 1 1 334.420 0.920 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@@H](C)O2 ZINC001071202408 784725097 /nfs/dbraw/zinc/72/50/97/784725097.db2.gz UWKRAVGQLUKSKM-FZKQIMNGSA-N 1 1 344.415 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ncccc1OC)C[C@@H](C)O2 ZINC001071204854 784732231 /nfs/dbraw/zinc/73/22/31/784732231.db2.gz SPEORQVUGRWRNN-BEFAXECRSA-N 1 1 343.427 0.958 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001071207224 784738104 /nfs/dbraw/zinc/73/81/04/784738104.db2.gz WTQKALIZTOAFCI-ACJLOTCBSA-N 1 1 342.399 0.235 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)[nH]1)C[C@@H](C)O2 ZINC001071209444 784741264 /nfs/dbraw/zinc/74/12/64/784741264.db2.gz KBWJZQXWMBWBCV-CXAGYDPISA-N 1 1 332.404 0.454 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@@H](C)O2 ZINC001071209444 784741267 /nfs/dbraw/zinc/74/12/67/784741267.db2.gz KBWJZQXWMBWBCV-CXAGYDPISA-N 1 1 332.404 0.454 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@@H](C)O2 ZINC001071209444 784741272 /nfs/dbraw/zinc/74/12/72/784741272.db2.gz KBWJZQXWMBWBCV-CXAGYDPISA-N 1 1 332.404 0.454 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@@H](C)O2 ZINC001071209326 784741532 /nfs/dbraw/zinc/74/15/32/784741532.db2.gz IDANKHSXHMBKHL-SJKOYZFVSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@@H](C)O2 ZINC001071209326 784741537 /nfs/dbraw/zinc/74/15/37/784741537.db2.gz IDANKHSXHMBKHL-SJKOYZFVSA-N 1 1 331.372 0.317 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@@H](C)O2 ZINC001071211916 784746769 /nfs/dbraw/zinc/74/67/69/784746769.db2.gz PYAIMJIJJONFBQ-FZKQIMNGSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COC1CCOCC1)C[C@@H](C)O2 ZINC001071215402 784753330 /nfs/dbraw/zinc/75/33/30/784753330.db2.gz BCRRUVRARRBIDA-CRAIPNDOSA-N 1 1 336.432 0.507 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccc(C)cc1=O)C[C@H](C)O2 ZINC001071216099 784756118 /nfs/dbraw/zinc/75/61/18/784756118.db2.gz LZQWCNGVBPOBLW-LPHOPBHVSA-N 1 1 343.427 0.482 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nnnc1C(C)C)C[C@H](C)O2 ZINC001071218087 784761247 /nfs/dbraw/zinc/76/12/47/784761247.db2.gz IOWMULLCPSNDOV-WMLDXEAASA-N 1 1 346.435 0.122 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nnnc1C(C)C)C[C@H](C)O2 ZINC001071219762 784766053 /nfs/dbraw/zinc/76/60/53/784766053.db2.gz XWBFVXSZHQYCKQ-WMLDXEAASA-N 1 1 348.451 0.674 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(CC)nn1C)C[C@@H](C)O2 ZINC001071223123 784776060 /nfs/dbraw/zinc/77/60/60/784776060.db2.gz IWUDDHOXXRGOJF-KDOFPFPSSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1conc1COC)C[C@@H](C)O2 ZINC001071228707 784789178 /nfs/dbraw/zinc/78/91/78/784789178.db2.gz YSRGXOIURINEHR-DYVFJYSZSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1conc1COC)C[C@@H](C)O2 ZINC001071228707 784789184 /nfs/dbraw/zinc/78/91/84/784789184.db2.gz YSRGXOIURINEHR-DYVFJYSZSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@@H](C)O2 ZINC001071230085 784790835 /nfs/dbraw/zinc/79/08/35/784790835.db2.gz FHRDXZWATKXKPJ-CXAGYDPISA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@@H](C)O2 ZINC001071230085 784790837 /nfs/dbraw/zinc/79/08/37/784790837.db2.gz FHRDXZWATKXKPJ-CXAGYDPISA-N 1 1 330.388 0.424 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CCO)C3)C2)cn1 ZINC001071230897 784793353 /nfs/dbraw/zinc/79/33/53/784793353.db2.gz KYLPUAIUFAGGNZ-KBXCAEBGSA-N 1 1 329.400 0.361 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@@H](C)O2 ZINC001071231649 784795998 /nfs/dbraw/zinc/79/59/98/784795998.db2.gz SDXGJUNYQQPTIF-RDTXWAMCSA-N 1 1 329.400 0.324 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(CCOC)c1)C[C@@H](C)O2 ZINC001071233612 784799432 /nfs/dbraw/zinc/79/94/32/784799432.db2.gz LTYGMNYVCGCXDZ-CRAIPNDOSA-N 1 1 346.431 0.468 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(CCOC)c1)C[C@@H](C)O2 ZINC001071233612 784799434 /nfs/dbraw/zinc/79/94/34/784799434.db2.gz LTYGMNYVCGCXDZ-CRAIPNDOSA-N 1 1 346.431 0.468 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cnc1C)C[C@@H](C)O2 ZINC001071234151 784799576 /nfs/dbraw/zinc/79/95/76/784799576.db2.gz UMQMDXQCCIRHJE-RDTXWAMCSA-N 1 1 330.432 0.976 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CCN(C(C)=O)CC1)C[C@H](C)O2 ZINC001071238294 784806733 /nfs/dbraw/zinc/80/67/33/784806733.db2.gz LJNGBAPZKQVMOJ-HNAYVOBHSA-N 1 1 347.459 0.570 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@H](C)O2 ZINC001071238394 784807222 /nfs/dbraw/zinc/80/72/22/784807222.db2.gz MEQSQTDZTKUWCT-KSSFIOAISA-N 1 1 344.415 0.109 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1noc3c1COCC3)C[C@@H](C)O2 ZINC001071244018 784820579 /nfs/dbraw/zinc/82/05/79/784820579.db2.gz OMENDRBIBSINEG-ACJLOTCBSA-N 1 1 345.399 0.686 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1noc3c1COCC3)C[C@@H](C)O2 ZINC001071244018 784820586 /nfs/dbraw/zinc/82/05/86/784820586.db2.gz OMENDRBIBSINEG-ACJLOTCBSA-N 1 1 345.399 0.686 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(C(N)=O)n1)C[C@H](C)O2 ZINC001071245806 784826086 /nfs/dbraw/zinc/82/60/86/784826086.db2.gz JYKMRYRVNZGTCZ-SCLBCKFNSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)C[C@@H](C)O2 ZINC001071246099 784827115 /nfs/dbraw/zinc/82/71/15/784827115.db2.gz OWOSOEWGUGLLQW-KDOFPFPSSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)C[C@@H](C)O2 ZINC001071246099 784827124 /nfs/dbraw/zinc/82/71/24/784827124.db2.gz OWOSOEWGUGLLQW-KDOFPFPSSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@@H](C)O2 ZINC001071248462 784830682 /nfs/dbraw/zinc/83/06/82/784830682.db2.gz LYKLJJBQENFQKQ-CRAIPNDOSA-N 1 1 345.447 0.463 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)Cc3ccon3)C2)C(=O)C1 ZINC001071258548 784865361 /nfs/dbraw/zinc/86/53/61/784865361.db2.gz JZFVUEBFZNUJFQ-MRXNPFEDSA-N 1 1 346.431 0.928 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)Cc3ccon3)C2)C(=O)C1 ZINC001071258548 784865369 /nfs/dbraw/zinc/86/53/69/784865369.db2.gz JZFVUEBFZNUJFQ-MRXNPFEDSA-N 1 1 346.431 0.928 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cn(C)nn3)C2)C(=O)C1 ZINC001071264323 784884702 /nfs/dbraw/zinc/88/47/02/784884702.db2.gz TVYOJYHGWMKJRM-AWEZNQCLSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cn(C)nn3)C2)C(=O)C1 ZINC001071264323 784884705 /nfs/dbraw/zinc/88/47/05/784884705.db2.gz TVYOJYHGWMKJRM-AWEZNQCLSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C(=O)C1 ZINC001071272492 784908103 /nfs/dbraw/zinc/90/81/03/784908103.db2.gz PTIJUHRJVZHSLW-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCN1CCN([C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277553 784925008 /nfs/dbraw/zinc/92/50/08/784925008.db2.gz YEROPADLYZYIBS-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccnc3c2nnn3C)CC[C@@H]1C ZINC001071766465 785074727 /nfs/dbraw/zinc/07/47/27/785074727.db2.gz WCYUNIMQBJXQFQ-QWHCGFSZSA-N 1 1 326.404 0.969 20 30 ECEDMO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001068757321 791079985 /nfs/dbraw/zinc/07/99/85/791079985.db2.gz RQBQFRBHDNPUJU-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CCN1CCNC1=O ZINC001071438371 785087256 /nfs/dbraw/zinc/08/72/56/785087256.db2.gz OKMGQYBHALGJEZ-GXTWGEPZSA-N 1 1 344.419 0.494 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071511136 785222558 /nfs/dbraw/zinc/22/25/58/785222558.db2.gz JTIGEVMOAPDPJG-NEPJUHHUSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071511136 785222570 /nfs/dbraw/zinc/22/25/70/785222570.db2.gz JTIGEVMOAPDPJG-NEPJUHHUSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071511139 785222894 /nfs/dbraw/zinc/22/28/94/785222894.db2.gz JTIGEVMOAPDPJG-VXGBXAGGSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071511139 785222899 /nfs/dbraw/zinc/22/28/99/785222899.db2.gz JTIGEVMOAPDPJG-VXGBXAGGSA-N 1 1 345.432 0.776 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@H]1C ZINC001071891095 785278813 /nfs/dbraw/zinc/27/88/13/785278813.db2.gz WXDUYFSYUFNLAI-CABCVRRESA-N 1 1 348.451 0.724 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@@H]1C ZINC001071890600 785279145 /nfs/dbraw/zinc/27/91/45/785279145.db2.gz OWWJPZDPRFTFQT-GJZGRUSLSA-N 1 1 346.435 0.171 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1C ZINC001071548819 785284920 /nfs/dbraw/zinc/28/49/20/785284920.db2.gz MCESIHKAROPTQT-KBPBESRZSA-N 1 1 334.420 0.092 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001071921127 785337793 /nfs/dbraw/zinc/33/77/93/785337793.db2.gz BGRPXGXENQVXLC-DOMZBBRYSA-N 1 1 331.420 0.803 20 30 ECEDMO C#CCCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001071928292 785349872 /nfs/dbraw/zinc/34/98/72/785349872.db2.gz AOXNEXSJZRFJQV-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071662791 785477517 /nfs/dbraw/zinc/47/75/17/785477517.db2.gz XYFKWLWPTPHPGV-CHWSQXEVSA-N 1 1 326.466 0.548 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071662792 785477692 /nfs/dbraw/zinc/47/76/92/785477692.db2.gz XYFKWLWPTPHPGV-OLZOCXBDSA-N 1 1 326.466 0.548 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccccc2OCC(N)=O)CC[C@H]1C ZINC001071664090 785478286 /nfs/dbraw/zinc/47/82/86/785478286.db2.gz YBMWIHMACIHNIP-ZIAGYGMSSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2OCC(N)=O)CC[C@H]1C ZINC001071664090 785478291 /nfs/dbraw/zinc/47/82/91/785478291.db2.gz YBMWIHMACIHNIP-ZIAGYGMSSA-N 1 1 329.400 0.767 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1C ZINC001071988797 785484533 /nfs/dbraw/zinc/48/45/33/785484533.db2.gz KXJQKVNZTHOBKW-OLZOCXBDSA-N 1 1 344.419 0.967 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1C ZINC001071989454 785486626 /nfs/dbraw/zinc/48/66/26/785486626.db2.gz PSJZIJCUBONESG-NEPJUHHUSA-N 1 1 328.376 0.024 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C2)nc1 ZINC001071998473 785501772 /nfs/dbraw/zinc/50/17/72/785501772.db2.gz JGGBGSVBBMACFS-HIFRSBDPSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)N(C)C)C2)nc1 ZINC001071998473 785501774 /nfs/dbraw/zinc/50/17/74/785501774.db2.gz JGGBGSVBBMACFS-HIFRSBDPSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)CC[C@H]1C ZINC001072001528 785508088 /nfs/dbraw/zinc/50/80/88/785508088.db2.gz DSEXIONELFDOIK-DGCLKSJQSA-N 1 1 325.368 0.786 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)CC[C@H]1C ZINC001072001528 785508095 /nfs/dbraw/zinc/50/80/95/785508095.db2.gz DSEXIONELFDOIK-DGCLKSJQSA-N 1 1 325.368 0.786 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@H]1C ZINC001071701206 785554945 /nfs/dbraw/zinc/55/49/45/785554945.db2.gz FDCVVAXKGKCKRI-ZIAGYGMSSA-N 1 1 341.415 0.937 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@H]1C ZINC001071701212 785555111 /nfs/dbraw/zinc/55/51/11/785555111.db2.gz FGOYPRIHHDTZPN-OLZOCXBDSA-N 1 1 327.392 0.826 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@@H]1C ZINC001071721212 785584500 /nfs/dbraw/zinc/58/45/00/785584500.db2.gz NLDOWZSAADXTAJ-GJZGRUSLSA-N 1 1 341.415 0.488 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@H]1C ZINC001071724734 785593357 /nfs/dbraw/zinc/59/33/57/785593357.db2.gz LJHHVUJCACUASP-YPMHNXCESA-N 1 1 342.407 0.300 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001072283047 785968447 /nfs/dbraw/zinc/96/84/47/785968447.db2.gz NGJDWOONJORQMM-SWLSCSKDSA-N 1 1 331.420 0.803 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSCC#N)C1 ZINC001072283458 785971364 /nfs/dbraw/zinc/97/13/64/785971364.db2.gz SILXLLJPCBZLEY-OLZOCXBDSA-N 1 1 326.466 0.546 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001072357980 786075304 /nfs/dbraw/zinc/07/53/04/786075304.db2.gz IUCZKMFHJQSKQT-LSDHHAIUSA-N 1 1 337.464 0.720 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)Cn4cnnn4)C3)C2)cc1 ZINC001072451969 786204414 /nfs/dbraw/zinc/20/44/14/786204414.db2.gz XBAKECMDSCLAPV-UHFFFAOYSA-N 1 1 337.387 0.279 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 ZINC001074226988 786466503 /nfs/dbraw/zinc/46/65/03/786466503.db2.gz ZWOAZGKZEXKZOS-KGLIPLIRSA-N 1 1 335.404 0.860 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 ZINC001074226988 786466511 /nfs/dbraw/zinc/46/65/11/786466511.db2.gz ZWOAZGKZEXKZOS-KGLIPLIRSA-N 1 1 335.404 0.860 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@@H]21 ZINC001074232588 786473068 /nfs/dbraw/zinc/47/30/68/786473068.db2.gz CBSYCWKPWOUUBD-HOTGVXAUSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@@H]21 ZINC001074232588 786473075 /nfs/dbraw/zinc/47/30/75/786473075.db2.gz CBSYCWKPWOUUBD-HOTGVXAUSA-N 1 1 349.435 0.416 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)c[nH]1 ZINC001073575636 786655817 /nfs/dbraw/zinc/65/58/17/786655817.db2.gz KQYZOVVPYRSJRY-CZUORRHYSA-N 1 1 332.404 0.744 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001073597699 786733963 /nfs/dbraw/zinc/73/39/63/786733963.db2.gz GEOGHUOTPGLJMH-AWEZNQCLSA-N 1 1 337.424 0.321 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3OCC[N@H+](CC4CC4)[C@H]3C2)nn1 ZINC001074354390 786740014 /nfs/dbraw/zinc/74/00/14/786740014.db2.gz POTCWICUEICZOP-JKSUJKDBSA-N 1 1 331.420 0.789 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](CC4CC4)[C@H]3C2)nn1 ZINC001074354390 786740017 /nfs/dbraw/zinc/74/00/17/786740017.db2.gz POTCWICUEICZOP-JKSUJKDBSA-N 1 1 331.420 0.789 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001073608386 786764020 /nfs/dbraw/zinc/76/40/20/786764020.db2.gz QBJCFYMIEBHDDJ-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001073608386 786764026 /nfs/dbraw/zinc/76/40/26/786764026.db2.gz QBJCFYMIEBHDDJ-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001073630140 786812870 /nfs/dbraw/zinc/81/28/70/786812870.db2.gz OCMYIJVPWHNHTP-OAHLLOKOSA-N 1 1 330.388 0.494 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001073630140 786812881 /nfs/dbraw/zinc/81/28/81/786812881.db2.gz OCMYIJVPWHNHTP-OAHLLOKOSA-N 1 1 330.388 0.494 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@H]3C2)cn1 ZINC001074384522 786819610 /nfs/dbraw/zinc/81/96/10/786819610.db2.gz IEGBBOKTNBRNGS-DLBZAZTESA-N 1 1 329.400 0.625 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@H]3C2)cn1 ZINC001074384522 786819615 /nfs/dbraw/zinc/81/96/15/786819615.db2.gz IEGBBOKTNBRNGS-DLBZAZTESA-N 1 1 329.400 0.625 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001073632113 786822140 /nfs/dbraw/zinc/82/21/40/786822140.db2.gz YBJJVXCHJBRMCZ-GFCCVEGCSA-N 1 1 330.392 0.750 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001073640193 786847447 /nfs/dbraw/zinc/84/74/47/786847447.db2.gz YYISLDYYGGSHJU-CYBMUJFWSA-N 1 1 328.376 0.197 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001073645695 786861141 /nfs/dbraw/zinc/86/11/41/786861141.db2.gz VQUTXIWKCSBFQL-AWEZNQCLSA-N 1 1 332.404 0.257 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001073647717 786867008 /nfs/dbraw/zinc/86/70/08/786867008.db2.gz MSSVTCZHUMCVPP-GFCCVEGCSA-N 1 1 342.321 0.949 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001073647717 786867018 /nfs/dbraw/zinc/86/70/18/786867018.db2.gz MSSVTCZHUMCVPP-GFCCVEGCSA-N 1 1 342.321 0.949 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001073660742 786901933 /nfs/dbraw/zinc/90/19/33/786901933.db2.gz NJBDTABNTMZCPZ-CVEARBPZSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001073660742 786901941 /nfs/dbraw/zinc/90/19/41/786901941.db2.gz NJBDTABNTMZCPZ-CVEARBPZSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001073661135 786906584 /nfs/dbraw/zinc/90/65/84/786906584.db2.gz WPJPRXMFUDIGFM-CQSZACIVSA-N 1 1 332.404 0.643 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001073670871 786926436 /nfs/dbraw/zinc/92/64/36/786926436.db2.gz QLDDBWHQPNAQKX-HZPDHXFCSA-N 1 1 330.432 0.676 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001073670824 786927095 /nfs/dbraw/zinc/92/70/95/786927095.db2.gz POECEMDTKVKCGN-LBPRGKRZSA-N 1 1 331.376 0.670 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3ncnn32)C1 ZINC001073681091 786957809 /nfs/dbraw/zinc/95/78/09/786957809.db2.gz COWBFIQFGMJVPM-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001073694209 786983362 /nfs/dbraw/zinc/98/33/62/786983362.db2.gz XKTLTYGPRICRPM-CQSZACIVSA-N 1 1 330.392 0.521 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nnc3ccccc3n2)C1 ZINC001073696706 786989990 /nfs/dbraw/zinc/98/99/90/786989990.db2.gz MVIXYMCBZOXTJX-AWEZNQCLSA-N 1 1 339.399 0.869 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001073714558 787035892 /nfs/dbraw/zinc/03/58/92/787035892.db2.gz TYLXBBBXOIWCDK-INIZCTEOSA-N 1 1 342.403 0.669 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001073738878 787089477 /nfs/dbraw/zinc/08/94/77/787089477.db2.gz FSUPFCAGOHZYCS-CVEARBPZSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001073739965 787091290 /nfs/dbraw/zinc/09/12/90/787091290.db2.gz ADAQJSZXSFJSTH-ZWKOTPCHSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001073739965 787091296 /nfs/dbraw/zinc/09/12/96/787091296.db2.gz ADAQJSZXSFJSTH-ZWKOTPCHSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073741959 787099485 /nfs/dbraw/zinc/09/94/85/787099485.db2.gz ZLJSZOYMNKOCBY-DLBZAZTESA-N 1 1 337.464 0.326 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073741959 787099491 /nfs/dbraw/zinc/09/94/91/787099491.db2.gz ZLJSZOYMNKOCBY-DLBZAZTESA-N 1 1 337.464 0.326 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nccn3ccnc23)C1 ZINC001073774225 787179459 /nfs/dbraw/zinc/17/94/59/787179459.db2.gz CJEDJEQVESQLPU-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2nccn3ccnc23)C1 ZINC001073774225 787179463 /nfs/dbraw/zinc/17/94/63/787179463.db2.gz CJEDJEQVESQLPU-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073796472 787219816 /nfs/dbraw/zinc/21/98/16/787219816.db2.gz NIVGYWFNIRGPEY-OAHLLOKOSA-N 1 1 344.477 0.594 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073796472 787219821 /nfs/dbraw/zinc/21/98/21/787219821.db2.gz NIVGYWFNIRGPEY-OAHLLOKOSA-N 1 1 344.477 0.594 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001074593509 787350236 /nfs/dbraw/zinc/35/02/36/787350236.db2.gz VADUEWUFSMSGFQ-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073851281 787362135 /nfs/dbraw/zinc/36/21/35/787362135.db2.gz ZXRWRJYBWBVMIR-AWEZNQCLSA-N 1 1 335.404 0.459 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001073853712 787367916 /nfs/dbraw/zinc/36/79/16/787367916.db2.gz LZNOYHHLFKPBAN-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001073856818 787373767 /nfs/dbraw/zinc/37/37/67/787373767.db2.gz RIEUHWDTPVDBQN-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001073856818 787373776 /nfs/dbraw/zinc/37/37/76/787373776.db2.gz RIEUHWDTPVDBQN-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001073859262 787379005 /nfs/dbraw/zinc/37/90/05/787379005.db2.gz FMVLANYOEWVHLW-KBPBESRZSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001073859262 787379016 /nfs/dbraw/zinc/37/90/16/787379016.db2.gz FMVLANYOEWVHLW-KBPBESRZSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001073859262 787379026 /nfs/dbraw/zinc/37/90/26/787379026.db2.gz FMVLANYOEWVHLW-KBPBESRZSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001073859262 787379037 /nfs/dbraw/zinc/37/90/37/787379037.db2.gz FMVLANYOEWVHLW-KBPBESRZSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001073859262 787379045 /nfs/dbraw/zinc/37/90/45/787379045.db2.gz FMVLANYOEWVHLW-KBPBESRZSA-N 1 1 331.420 0.140 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001073859705 787381088 /nfs/dbraw/zinc/38/10/88/787381088.db2.gz RJCXFIGQAIBPKB-KGLIPLIRSA-N 1 1 331.420 0.140 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C)c1nncn1C ZINC001074609770 787385733 /nfs/dbraw/zinc/38/57/33/787385733.db2.gz ADEIUEVTBIGREH-GVXVVHGQSA-N 1 1 327.392 0.969 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001074617762 787408046 /nfs/dbraw/zinc/40/80/46/787408046.db2.gz CQKUCDONEXWBQH-UHFFFAOYSA-N 1 1 337.464 0.600 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001073871977 787411517 /nfs/dbraw/zinc/41/15/17/787411517.db2.gz NFXUVKSVKMNUGB-HZPDHXFCSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001073873492 787416692 /nfs/dbraw/zinc/41/66/92/787416692.db2.gz CLCOLWYHCRWOPB-INIZCTEOSA-N 1 1 334.420 0.374 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001073898815 787473084 /nfs/dbraw/zinc/47/30/84/787473084.db2.gz COALIGFHWCBANT-HOTGVXAUSA-N 1 1 347.463 0.932 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001074661240 787533081 /nfs/dbraw/zinc/53/30/81/787533081.db2.gz OPNPZFDATKWLKS-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001073962527 787592794 /nfs/dbraw/zinc/59/27/94/787592794.db2.gz FWAMTEDETSXVNI-HOCLYGCPSA-N 1 1 346.431 0.585 20 30 ECEDMO C[N@@H+](C[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCNC1=O ZINC001073997326 787644586 /nfs/dbraw/zinc/64/45/86/787644586.db2.gz UPINSKARYZDGFU-HUUCEWRRSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001074063150 787794877 /nfs/dbraw/zinc/79/48/77/787794877.db2.gz MMZCCNFNSFXHKF-ZBFHGGJFSA-N 1 1 346.431 0.585 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001074063180 787794943 /nfs/dbraw/zinc/79/49/43/787794943.db2.gz MTCFIYHICFMANM-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)C1=O ZINC001072634696 788475695 /nfs/dbraw/zinc/47/56/95/788475695.db2.gz HJWROQJSAXDQIG-AWEZNQCLSA-N 1 1 327.388 0.265 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nncn3C)[C@@H]2C)nn1 ZINC001074949717 788596822 /nfs/dbraw/zinc/59/68/22/788596822.db2.gz UEVPIRPSCQYXOT-AVGNSLFASA-N 1 1 344.423 0.546 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)Cc3nnn(C(C)(C)C)n3)C2)C1 ZINC001072773877 788765743 /nfs/dbraw/zinc/76/57/43/788765743.db2.gz JCLKJXBNJXPGOQ-UHFFFAOYSA-N 1 1 330.436 0.528 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001072782833 788787499 /nfs/dbraw/zinc/78/74/99/788787499.db2.gz DWDVEWFIEMNOQD-UHFFFAOYSA-N 1 1 336.399 0.884 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001072782833 788787505 /nfs/dbraw/zinc/78/75/05/788787505.db2.gz DWDVEWFIEMNOQD-UHFFFAOYSA-N 1 1 336.399 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnnn3C)[C@@H]2C)cn1 ZINC001075053366 788813695 /nfs/dbraw/zinc/81/36/95/788813695.db2.gz DKLZZHKSFQJUCT-HUBLWGQQSA-N 1 1 339.403 0.540 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072814520 788870796 /nfs/dbraw/zinc/87/07/96/788870796.db2.gz HSDKRKYMCVMLHU-CQSZACIVSA-N 1 1 328.416 0.711 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC001072881061 789013540 /nfs/dbraw/zinc/01/35/40/789013540.db2.gz CRCLNXZDVMRCPY-AWEZNQCLSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC001072881061 789013549 /nfs/dbraw/zinc/01/35/49/789013549.db2.gz CRCLNXZDVMRCPY-AWEZNQCLSA-N 1 1 327.856 0.994 20 30 ECEDMO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075260732 789129562 /nfs/dbraw/zinc/12/95/62/789129562.db2.gz HJNBMCDLCSDGHR-NWDGAFQWSA-N 1 1 342.407 0.298 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4n[nH]cc4F)C3)C2)C1=O ZINC001072958676 789164797 /nfs/dbraw/zinc/16/47/97/789164797.db2.gz NHFJEOBLROMWQO-CYBMUJFWSA-N 1 1 347.394 0.484 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCC(=O)NC2=O)C3)C1 ZINC001072963988 789174342 /nfs/dbraw/zinc/17/43/42/789174342.db2.gz DXIRYEKRITYVEC-ZDUSSCGKSA-N 1 1 331.416 0.682 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC1)C2 ZINC001072994924 789246665 /nfs/dbraw/zinc/24/66/65/789246665.db2.gz ZWGIEHLHSSKSGO-CABCVRRESA-N 1 1 333.432 0.344 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cnnn1C)C2 ZINC001072994918 789246742 /nfs/dbraw/zinc/24/67/42/789246742.db2.gz ZQIWKEJCJTWYJK-CABCVRRESA-N 1 1 331.420 0.441 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cnnn1C)C2 ZINC001072994918 789246750 /nfs/dbraw/zinc/24/67/50/789246750.db2.gz ZQIWKEJCJTWYJK-CABCVRRESA-N 1 1 331.420 0.441 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001073027883 789302968 /nfs/dbraw/zinc/30/29/68/789302968.db2.gz UWUXAYYTFLDGOC-HNNXBMFYSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001075406723 789332256 /nfs/dbraw/zinc/33/22/56/789332256.db2.gz PMEYIAKUOGJWSM-WMZOPIPTSA-N 1 1 330.432 0.961 20 30 ECEDMO C#CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001075413100 789339928 /nfs/dbraw/zinc/33/99/28/789339928.db2.gz IPIQAIRMNGCNLK-HOCLYGCPSA-N 1 1 331.420 0.736 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cccnn4)C3)C2)C1=O ZINC001073071433 789388353 /nfs/dbraw/zinc/38/83/53/789388353.db2.gz XGDQVLPFSAIVAA-HNNXBMFYSA-N 1 1 341.415 0.411 20 30 ECEDMO C=CC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073107683 789452913 /nfs/dbraw/zinc/45/29/13/789452913.db2.gz ZUEDRNPWXYFAFF-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CCC2(CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073107683 789452915 /nfs/dbraw/zinc/45/29/15/789452915.db2.gz ZUEDRNPWXYFAFF-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC001073124486 789481203 /nfs/dbraw/zinc/48/12/03/789481203.db2.gz OYYDRHCPUQEMAX-UHFFFAOYSA-N 1 1 328.376 0.142 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCCNC2=O)C3)nc1 ZINC001073134931 789504961 /nfs/dbraw/zinc/50/49/61/789504961.db2.gz YMHKKIDEHXKMJX-INIZCTEOSA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](Cc2cnnn2C)C3)cn1 ZINC001073137909 789512286 /nfs/dbraw/zinc/51/22/86/789512286.db2.gz RWXDAJSLFJUYPO-UHFFFAOYSA-N 1 1 336.399 0.540 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](Cc2cnnn2C)C3)cn1 ZINC001073137909 789512293 /nfs/dbraw/zinc/51/22/93/789512293.db2.gz RWXDAJSLFJUYPO-UHFFFAOYSA-N 1 1 336.399 0.540 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073164629 789557179 /nfs/dbraw/zinc/55/71/79/789557179.db2.gz FPLVKBMTHBFJEB-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C)n4)[C@@H]3C2)C1=O ZINC001075622450 789584344 /nfs/dbraw/zinc/58/43/44/789584344.db2.gz XAKMXJCSUJIENR-NUEKZKHPSA-N 1 1 343.431 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnc(C)[nH]4)[C@@H]3C2)C1=O ZINC001075622450 789584351 /nfs/dbraw/zinc/58/43/51/789584351.db2.gz XAKMXJCSUJIENR-NUEKZKHPSA-N 1 1 343.431 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnc(C)[nH]4)[C@@H]3C2)C1=O ZINC001075622450 789584356 /nfs/dbraw/zinc/58/43/56/789584356.db2.gz XAKMXJCSUJIENR-NUEKZKHPSA-N 1 1 343.431 0.651 20 30 ECEDMO C[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001069199519 789651842 /nfs/dbraw/zinc/65/18/42/789651842.db2.gz HHAZCBVWFPGMQO-ZIAGYGMSSA-N 1 1 342.447 0.903 20 30 ECEDMO C=CCOCC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001073260645 789668826 /nfs/dbraw/zinc/66/88/26/789668826.db2.gz PIXJZNVLXVLGAH-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)COCC)C(C)(C)C1 ZINC001073297419 789715531 /nfs/dbraw/zinc/71/55/31/789715531.db2.gz CZCQJBSRAPDMHY-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)COCC)C(C)(C)C1 ZINC001073297419 789715536 /nfs/dbraw/zinc/71/55/36/789715536.db2.gz CZCQJBSRAPDMHY-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2N(c2nccnc2C#N)CC3)C1 ZINC001069265336 789716241 /nfs/dbraw/zinc/71/62/41/789716241.db2.gz AFDYEVYMHPHYIR-JOQOYGCGSA-N 1 1 340.431 0.918 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001073379101 789772828 /nfs/dbraw/zinc/77/28/28/789772828.db2.gz UINULJRNLHSQAT-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001073379101 789772834 /nfs/dbraw/zinc/77/28/34/789772834.db2.gz UINULJRNLHSQAT-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001073415378 789807702 /nfs/dbraw/zinc/80/77/02/789807702.db2.gz YPFMZBDNEOEMDV-UHFFFAOYSA-N 1 1 329.404 0.690 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCN([C@H](CC)C(N)=O)C3)CC1 ZINC001073457438 789865733 /nfs/dbraw/zinc/86/57/33/789865733.db2.gz QFMPLJKCMFDZIM-MRXNPFEDSA-N 1 1 346.475 0.130 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC(Nc2nccnc2C#N)C1 ZINC001069719610 789986773 /nfs/dbraw/zinc/98/67/73/789986773.db2.gz QNNKBKVAYKPDCH-ORHYLEIMSA-N 1 1 330.392 0.080 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC(Nc2nccnc2C#N)C1 ZINC001069719610 789986775 /nfs/dbraw/zinc/98/67/75/789986775.db2.gz QNNKBKVAYKPDCH-ORHYLEIMSA-N 1 1 330.392 0.080 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC(Nc2cnc(C#N)cn2)C1 ZINC001069719961 789987468 /nfs/dbraw/zinc/98/74/68/789987468.db2.gz YWCBRZMSLYYMMN-UBHUBRDASA-N 1 1 330.392 0.080 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC(Nc2cnc(C#N)cn2)C1 ZINC001069719961 789987472 /nfs/dbraw/zinc/98/74/72/789987472.db2.gz YWCBRZMSLYYMMN-UBHUBRDASA-N 1 1 330.392 0.080 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2nccnc2F)CC1 ZINC001069834102 790066064 /nfs/dbraw/zinc/06/60/64/790066064.db2.gz CHWJHGAVXVGVHI-HNNXBMFYSA-N 1 1 343.406 0.966 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2nccnc2F)CC1 ZINC001069834102 790066066 /nfs/dbraw/zinc/06/60/66/790066066.db2.gz CHWJHGAVXVGVHI-HNNXBMFYSA-N 1 1 343.406 0.966 20 30 ECEDMO C=CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)c3cnn[nH]3)n2)C1 ZINC001069840333 790074683 /nfs/dbraw/zinc/07/46/83/790074683.db2.gz XVOPLCMKXAKWCF-CYBMUJFWSA-N 1 1 327.392 0.484 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2C1 ZINC001069861836 790114967 /nfs/dbraw/zinc/11/49/67/790114967.db2.gz LMQBASIECZHBFN-GDBMZVCRSA-N 1 1 329.448 0.678 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(C(C)C)CC2 ZINC001069863492 790117668 /nfs/dbraw/zinc/11/76/68/790117668.db2.gz UDCMRSGBJALMCX-INIZCTEOSA-N 1 1 329.448 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(C(C)C)CC2 ZINC001069863492 790117670 /nfs/dbraw/zinc/11/76/70/790117670.db2.gz UDCMRSGBJALMCX-INIZCTEOSA-N 1 1 329.448 0.821 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)c2C1 ZINC001069873490 790135568 /nfs/dbraw/zinc/13/55/68/790135568.db2.gz HGLBUDXAVILLFF-ZBFHGGJFSA-N 1 1 329.448 0.536 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 ZINC001069883425 790149231 /nfs/dbraw/zinc/14/92/31/790149231.db2.gz HCXKHGSREVRTSI-HNNXBMFYSA-N 1 1 330.436 0.713 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 ZINC001069883426 790149485 /nfs/dbraw/zinc/14/94/85/790149485.db2.gz HCXKHGSREVRTSI-OAHLLOKOSA-N 1 1 330.436 0.713 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069906716 790175733 /nfs/dbraw/zinc/17/57/33/790175733.db2.gz BXIPMJNRAYSCQR-KGLIPLIRSA-N 1 1 328.376 0.610 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069906716 790175734 /nfs/dbraw/zinc/17/57/34/790175734.db2.gz BXIPMJNRAYSCQR-KGLIPLIRSA-N 1 1 328.376 0.610 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)[C@@H](n2ccnn2)C1 ZINC001069923791 790194453 /nfs/dbraw/zinc/19/44/53/790194453.db2.gz LMLMGQBPPBAONQ-KGLIPLIRSA-N 1 1 329.408 0.931 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001069951403 790232004 /nfs/dbraw/zinc/23/20/04/790232004.db2.gz MBZQZROOJCJTPY-ZNMIVQPWSA-N 1 1 346.435 0.112 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)[C@@H](n2ccnn2)C1 ZINC001069964191 790249127 /nfs/dbraw/zinc/24/91/27/790249127.db2.gz ZLQCTOPPQQRFRC-CVEARBPZSA-N 1 1 341.419 0.580 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)[C@@H](n2ccnn2)C1 ZINC001069964191 790249129 /nfs/dbraw/zinc/24/91/29/790249129.db2.gz ZLQCTOPPQQRFRC-CVEARBPZSA-N 1 1 341.419 0.580 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069966885 790253910 /nfs/dbraw/zinc/25/39/10/790253910.db2.gz AHGDMSZZOCGSCV-CABCVRRESA-N 1 1 341.419 0.721 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2nccnc2C#N)C[C@H]1C ZINC001069107729 791708080 /nfs/dbraw/zinc/70/80/80/791708080.db2.gz QURGAWJZZPNNJK-DGCLKSJQSA-N 1 1 325.376 0.955 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cnccn1 ZINC001066689409 791997881 /nfs/dbraw/zinc/99/78/81/791997881.db2.gz HGQKXDJPYNZPPW-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cnccn1 ZINC001066689409 791997883 /nfs/dbraw/zinc/99/78/83/791997883.db2.gz HGQKXDJPYNZPPW-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2cccc(F)n2)C1 ZINC001066690991 792002394 /nfs/dbraw/zinc/00/23/94/792002394.db2.gz ZOTAKJCSPFNESL-GJZGRUSLSA-N 1 1 346.406 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2cccc(F)n2)C1 ZINC001066690991 792002404 /nfs/dbraw/zinc/00/24/04/792002404.db2.gz ZOTAKJCSPFNESL-GJZGRUSLSA-N 1 1 346.406 0.958 20 30 ECEDMO N#Cc1cnc(N2CC[NH+]([C@H]3CCN(C(=O)CC4CC4)C3)CC2)cn1 ZINC001066696711 792012569 /nfs/dbraw/zinc/01/25/69/792012569.db2.gz RCBSMJQYSLFVFK-INIZCTEOSA-N 1 1 340.431 0.871 20 30 ECEDMO COCC(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066699321 792022830 /nfs/dbraw/zinc/02/28/30/792022830.db2.gz XDNAXVQDRPVSPU-INIZCTEOSA-N 1 1 329.404 0.323 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)CC2)C1 ZINC001066736424 792069904 /nfs/dbraw/zinc/06/99/04/792069904.db2.gz MZMALXYTXHYOGZ-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)CC2)C1 ZINC001066736424 792069915 /nfs/dbraw/zinc/06/99/15/792069915.db2.gz MZMALXYTXHYOGZ-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cnon1 ZINC001067709448 792165008 /nfs/dbraw/zinc/16/50/08/792165008.db2.gz ZALMAHOPICCPSY-AWEZNQCLSA-N 1 1 333.392 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cnon1 ZINC001067709448 792165009 /nfs/dbraw/zinc/16/50/09/792165009.db2.gz ZALMAHOPICCPSY-AWEZNQCLSA-N 1 1 333.392 0.088 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1CN(C)c1cncc(C#N)n1 ZINC001067762784 792245985 /nfs/dbraw/zinc/24/59/85/792245985.db2.gz ICWIEBYLXWOYAV-OAHLLOKOSA-N 1 1 339.403 0.981 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1CN(C)c1cnc(C#N)cn1 ZINC001067763227 792246216 /nfs/dbraw/zinc/24/62/16/792246216.db2.gz SWCNBNYRPCFCDS-HNNXBMFYSA-N 1 1 339.403 0.981 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1CN(C)c1ccnc(C#N)n1 ZINC001067781724 792277772 /nfs/dbraw/zinc/27/77/72/792277772.db2.gz BGXLRVAZIYIPJX-AWEZNQCLSA-N 1 1 339.403 0.981 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2ccc(C#N)nn2)C1 ZINC001066890285 792288847 /nfs/dbraw/zinc/28/88/47/792288847.db2.gz ITAMKIQPVXKOBY-WMLDXEAASA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2cncc(C#N)n2)C1 ZINC001066891233 792294101 /nfs/dbraw/zinc/29/41/01/792294101.db2.gz XOZAWEFHXOPXMW-PBHICJAKSA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2ccc(C#N)nc2)C1 ZINC001066891342 792294564 /nfs/dbraw/zinc/29/45/64/792294564.db2.gz XYUORIAEHIOJIT-AEFFLSMTSA-N 1 1 343.431 0.813 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccc(C#N)nn3)C2)C1 ZINC001067853094 792373226 /nfs/dbraw/zinc/37/32/26/792373226.db2.gz ZTZQXCRMQGKFMD-ZALBZXLWSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccc(C#N)nn3)C2)C1 ZINC001067853094 792373236 /nfs/dbraw/zinc/37/32/36/792373236.db2.gz ZTZQXCRMQGKFMD-ZALBZXLWSA-N 1 1 344.419 0.376 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CC(CNc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001067894199 792434058 /nfs/dbraw/zinc/43/40/58/792434058.db2.gz TVBFDPOYXOOTNY-BLYZHGLHSA-N 1 1 328.420 0.417 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1C ZINC001067960993 792508090 /nfs/dbraw/zinc/50/80/90/792508090.db2.gz KYUKGTNSQIXJGC-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001066987487 792516386 /nfs/dbraw/zinc/51/63/86/792516386.db2.gz VPXCYSTUKRKTCG-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001066987487 792516397 /nfs/dbraw/zinc/51/63/97/792516397.db2.gz VPXCYSTUKRKTCG-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001067001727 792545526 /nfs/dbraw/zinc/54/55/26/792545526.db2.gz QHLAKPJOLSNRGG-HNNXBMFYSA-N 1 1 341.452 0.217 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001067001727 792545532 /nfs/dbraw/zinc/54/55/32/792545532.db2.gz QHLAKPJOLSNRGG-HNNXBMFYSA-N 1 1 341.452 0.217 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC1(C)C ZINC001068098662 792668506 /nfs/dbraw/zinc/66/85/06/792668506.db2.gz GOHJQDBETOLDEN-ZIAGYGMSSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC001068157241 792756628 /nfs/dbraw/zinc/75/66/28/792756628.db2.gz AYRHSGFQFRRJHI-LVQVYYBASA-N 1 1 325.416 0.846 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001068159213 792759909 /nfs/dbraw/zinc/75/99/09/792759909.db2.gz MIDIEBPJCLOYLT-LVQVYYBASA-N 1 1 325.416 0.846 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001068162292 792764711 /nfs/dbraw/zinc/76/47/11/792764711.db2.gz NTVQFCDIAGXFEL-JONQDZQNSA-N 1 1 341.415 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001068162292 792764717 /nfs/dbraw/zinc/76/47/17/792764717.db2.gz NTVQFCDIAGXFEL-JONQDZQNSA-N 1 1 341.415 0.082 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@H+](C)CCC ZINC001067427378 793140604 /nfs/dbraw/zinc/14/06/04/793140604.db2.gz YUTIZAFURKMCIS-HNNXBMFYSA-N 1 1 325.453 0.673 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001067428139 793142128 /nfs/dbraw/zinc/14/21/28/793142128.db2.gz YYEDULDVIDGJCW-HZPDHXFCSA-N 1 1 337.464 0.673 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)CC[N@H+](C)CC ZINC001067430044 793145322 /nfs/dbraw/zinc/14/53/22/793145322.db2.gz ARSIDTKSFVORLJ-OAHLLOKOSA-N 1 1 325.453 0.673 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001067430099 793145375 /nfs/dbraw/zinc/14/53/75/793145375.db2.gz MDSDBQMVMAZNCE-JKSUJKDBSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001067431590 793149500 /nfs/dbraw/zinc/14/95/00/793149500.db2.gz SRVNZQOCCNEFEK-JKSUJKDBSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001068389087 793181134 /nfs/dbraw/zinc/18/11/34/793181134.db2.gz WKRTZJSWBPOWKQ-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001068393958 793198270 /nfs/dbraw/zinc/19/82/70/793198270.db2.gz GIFDWEXFWUMXLT-OAHLLOKOSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267489159 837553024 /nfs/dbraw/zinc/55/30/24/837553024.db2.gz VYHQUPUIQQYTQP-AWEZNQCLSA-N 1 1 333.436 0.567 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267489159 837553031 /nfs/dbraw/zinc/55/30/31/837553031.db2.gz VYHQUPUIQQYTQP-AWEZNQCLSA-N 1 1 333.436 0.567 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1cc[nH]c(=O)c1)C(C)C ZINC001267501048 837576058 /nfs/dbraw/zinc/57/60/58/837576058.db2.gz KVMCUFGFWBEVJQ-UHFFFAOYSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccncc2)C1 ZINC001267501523 837576287 /nfs/dbraw/zinc/57/62/87/837576287.db2.gz LZUSDZGYJWQOKD-LSDHHAIUSA-N 1 1 328.416 0.661 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1c(C)nc[nH]c1=O)C(C)C ZINC001267506194 837592054 /nfs/dbraw/zinc/59/20/54/837592054.db2.gz ZKZIEYZCQDUNEH-UHFFFAOYSA-N 1 1 347.419 0.070 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C1CCOCC1)c1ccccc1 ZINC001267518156 837663521 /nfs/dbraw/zinc/66/35/21/837663521.db2.gz TVYVISBGIOKAJS-KRWDZBQOSA-N 1 1 343.427 0.610 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2coc(C)n2)C1 ZINC001267524512 837683014 /nfs/dbraw/zinc/68/30/14/837683014.db2.gz UJTJFRDGRMZCNG-OCCSQVGLSA-N 1 1 332.404 0.563 20 30 ECEDMO C#CCCCCC(=O)NCC[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001267525025 837687051 /nfs/dbraw/zinc/68/70/51/837687051.db2.gz XPHGZPCKYPJBJW-KRWDZBQOSA-N 1 1 349.475 0.867 20 30 ECEDMO CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267531321 837703447 /nfs/dbraw/zinc/70/34/47/837703447.db2.gz QBEVXTGXMOCYBX-HZPDHXFCSA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267531321 837703448 /nfs/dbraw/zinc/70/34/48/837703448.db2.gz QBEVXTGXMOCYBX-HZPDHXFCSA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267531321 837703450 /nfs/dbraw/zinc/70/34/50/837703450.db2.gz QBEVXTGXMOCYBX-HZPDHXFCSA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267531321 837703451 /nfs/dbraw/zinc/70/34/51/837703451.db2.gz QBEVXTGXMOCYBX-HZPDHXFCSA-N 1 1 349.479 0.327 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccn(C)c2)C1 ZINC001267541095 837726443 /nfs/dbraw/zinc/72/64/43/837726443.db2.gz VNMATDATNJDKFI-MRXNPFEDSA-N 1 1 330.432 0.701 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccn(C)c2)C1 ZINC001267541095 837726449 /nfs/dbraw/zinc/72/64/49/837726449.db2.gz VNMATDATNJDKFI-MRXNPFEDSA-N 1 1 330.432 0.701 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cc2ccccc2)C1 ZINC001267545007 837735108 /nfs/dbraw/zinc/73/51/08/837735108.db2.gz OTNWCEXEAIMDCT-KRWDZBQOSA-N 1 1 327.428 0.807 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2cncn2C)C1 ZINC001267549464 837747358 /nfs/dbraw/zinc/74/73/58/837747358.db2.gz XFUKKVSMUKHKSJ-OAHLLOKOSA-N 1 1 347.463 0.578 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2cncn2C)C1 ZINC001267549464 837747365 /nfs/dbraw/zinc/74/73/65/837747365.db2.gz XFUKKVSMUKHKSJ-OAHLLOKOSA-N 1 1 347.463 0.578 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cncc(C)c2)C1 ZINC001267554637 837760566 /nfs/dbraw/zinc/76/05/66/837760566.db2.gz WCQOQSIJPQNUDW-HZPDHXFCSA-N 1 1 342.443 0.970 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001267555962 837761835 /nfs/dbraw/zinc/76/18/35/837761835.db2.gz LFYMQHPFKVGWPB-INIZCTEOSA-N 1 1 349.475 0.723 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001267558385 837765809 /nfs/dbraw/zinc/76/58/09/837765809.db2.gz XYIWKISESMIQGN-GJZGRUSLSA-N 1 1 335.452 0.765 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001267559719 837769903 /nfs/dbraw/zinc/76/99/03/837769903.db2.gz ASCOQGZMMGHGGA-ZDUSSCGKSA-N 1 1 333.388 0.470 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001267569921 837799667 /nfs/dbraw/zinc/79/96/67/837799667.db2.gz FPLJSBSHCDOIRN-MAUKXSAKSA-N 1 1 339.439 0.904 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)c2snnc2CC)CC1 ZINC001267573048 837812914 /nfs/dbraw/zinc/81/29/14/837812914.db2.gz GYDPPXOXCBLEFR-UHFFFAOYSA-N 1 1 335.477 0.813 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC001267573171 837814068 /nfs/dbraw/zinc/81/40/68/837814068.db2.gz MEMXQWYLECOFPQ-QGZVFWFLSA-N 1 1 348.491 0.200 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC001267573171 837814076 /nfs/dbraw/zinc/81/40/76/837814076.db2.gz MEMXQWYLECOFPQ-QGZVFWFLSA-N 1 1 348.491 0.200 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)CCc2cncs2)C1 ZINC001267576498 837832134 /nfs/dbraw/zinc/83/21/34/837832134.db2.gz SGQXWXFAYWSUOG-AWEZNQCLSA-N 1 1 348.472 0.653 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+](C[C@H](O)COC)C1 ZINC001266245597 835551214 /nfs/dbraw/zinc/55/12/14/835551214.db2.gz CZNYUXFLCSYKID-GJZGRUSLSA-N 1 1 349.431 0.848 20 30 ECEDMO C=C(Cl)CN1CC[NH+](CCCNC(=O)[C@H]2COCCO2)CC1 ZINC001266257651 835566212 /nfs/dbraw/zinc/56/62/12/835566212.db2.gz OCDQOVUBJJTAQH-CQSZACIVSA-N 1 1 331.844 0.278 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)[C@@]2(C)CCC(=O)NC2)CC1 ZINC001266271284 835593031 /nfs/dbraw/zinc/59/30/31/835593031.db2.gz KHQCQHNHWROOHC-SFHVURJKSA-N 1 1 334.464 0.050 20 30 ECEDMO C=C1CC(C)(C(=O)NCCC[NH+]2CCN(Cc3nnn(C)n3)CC2)C1 ZINC001266272319 835594130 /nfs/dbraw/zinc/59/41/30/835594130.db2.gz ZRZBNVBKMCUXPV-UHFFFAOYSA-N 1 1 347.467 0.190 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cn3c(n2)CCCC3)C1=O ZINC001266280933 835609600 /nfs/dbraw/zinc/60/96/00/835609600.db2.gz YWJUBWQFHXPPNO-HNNXBMFYSA-N 1 1 345.447 0.668 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cn3c(n2)CCCC3)C1=O ZINC001266280933 835609602 /nfs/dbraw/zinc/60/96/02/835609602.db2.gz YWJUBWQFHXPPNO-HNNXBMFYSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)COc2ccc(F)cc2F)CC1 ZINC001266286129 835622455 /nfs/dbraw/zinc/62/24/55/835622455.db2.gz ZVUSYPGRWXRPLP-UHFFFAOYSA-N 1 1 337.370 0.711 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2ccnn2CC(F)F)CC1 ZINC001266286049 835622516 /nfs/dbraw/zinc/62/25/16/835622516.db2.gz XDQLPPKDOZCPOW-UHFFFAOYSA-N 1 1 325.363 0.129 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cc(OC)c(C)c(OC)c2)CC1 ZINC001266297815 835648760 /nfs/dbraw/zinc/64/87/60/835648760.db2.gz VMTPUOYOBOGHEP-UHFFFAOYSA-N 1 1 345.443 0.993 20 30 ECEDMO N#CCSCC(=O)N[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001266301892 835662509 /nfs/dbraw/zinc/66/25/09/835662509.db2.gz FGGPWZPIDJAQMY-GFCCVEGCSA-N 1 1 327.841 0.984 20 30 ECEDMO N#CCSCC(=O)N[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001266301892 835662515 /nfs/dbraw/zinc/66/25/15/835662515.db2.gz FGGPWZPIDJAQMY-GFCCVEGCSA-N 1 1 327.841 0.984 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001266306475 835671109 /nfs/dbraw/zinc/67/11/09/835671109.db2.gz UBXXZZZXEQAEEC-LBPRGKRZSA-N 1 1 335.408 0.151 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001266306475 835671111 /nfs/dbraw/zinc/67/11/11/835671111.db2.gz UBXXZZZXEQAEEC-LBPRGKRZSA-N 1 1 335.408 0.151 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC001266307907 835672181 /nfs/dbraw/zinc/67/21/81/835672181.db2.gz MQYORJWLXBPOPM-CYBMUJFWSA-N 1 1 336.440 0.364 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CC[N@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC001266307907 835672192 /nfs/dbraw/zinc/67/21/92/835672192.db2.gz MQYORJWLXBPOPM-CYBMUJFWSA-N 1 1 336.440 0.364 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)NC(C)(C)CC)C1 ZINC001266324841 835701215 /nfs/dbraw/zinc/70/12/15/835701215.db2.gz FAIONUAMRNJDRE-CVEARBPZSA-N 1 1 348.491 0.579 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)NC(C)(C)CC)C1 ZINC001266324841 835701219 /nfs/dbraw/zinc/70/12/19/835701219.db2.gz FAIONUAMRNJDRE-CVEARBPZSA-N 1 1 348.491 0.579 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@H+](C)C[C@@H](O)CC(F)(F)F)nn1 ZINC001266335508 835718857 /nfs/dbraw/zinc/71/88/57/835718857.db2.gz YNBHAAKHEVBGSF-JTQLQIEISA-N 1 1 335.330 0.439 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266339285 835724249 /nfs/dbraw/zinc/72/42/49/835724249.db2.gz NFRCGJGSVSKINR-LSDHHAIUSA-N 1 1 345.447 0.247 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 ZINC001266339394 835724672 /nfs/dbraw/zinc/72/46/72/835724672.db2.gz PNMISVSSMVVUSH-DLBZAZTESA-N 1 1 335.448 0.522 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 ZINC001266339394 835724678 /nfs/dbraw/zinc/72/46/78/835724678.db2.gz PNMISVSSMVVUSH-DLBZAZTESA-N 1 1 335.448 0.522 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001266343937 835731800 /nfs/dbraw/zinc/73/18/00/835731800.db2.gz BAOFWNYYRGKUSC-WBVHZDCISA-N 1 1 347.463 0.624 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001266344089 835731907 /nfs/dbraw/zinc/73/19/07/835731907.db2.gz CPCXWNMRDLTCRQ-DOTOQJQBSA-N 1 1 345.447 0.946 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001266344089 835731916 /nfs/dbraw/zinc/73/19/16/835731916.db2.gz CPCXWNMRDLTCRQ-DOTOQJQBSA-N 1 1 345.447 0.946 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001266363004 835773870 /nfs/dbraw/zinc/77/38/70/835773870.db2.gz BLYOXJYMLHUGMQ-XJKSGUPXSA-N 1 1 332.448 0.981 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001266363004 835773880 /nfs/dbraw/zinc/77/38/80/835773880.db2.gz BLYOXJYMLHUGMQ-XJKSGUPXSA-N 1 1 332.448 0.981 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cc(C)nc(C)c1 ZINC001266392121 835799352 /nfs/dbraw/zinc/79/93/52/835799352.db2.gz CXHVLWXBVBONLM-HNNXBMFYSA-N 1 1 330.432 0.888 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cc(C)nc(C)c1 ZINC001266392121 835799363 /nfs/dbraw/zinc/79/93/63/835799363.db2.gz CXHVLWXBVBONLM-HNNXBMFYSA-N 1 1 330.432 0.888 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2cnc3n2CCC3)C1=O ZINC001266394449 835802384 /nfs/dbraw/zinc/80/23/84/835802384.db2.gz PYXHIKMUEGZMMX-AWEZNQCLSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001266422408 835827492 /nfs/dbraw/zinc/82/74/92/835827492.db2.gz AELRDVRNNNVDGB-JYJNAYRXSA-N 1 1 335.448 0.544 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001266422408 835827497 /nfs/dbraw/zinc/82/74/97/835827497.db2.gz AELRDVRNNNVDGB-JYJNAYRXSA-N 1 1 335.448 0.544 20 30 ECEDMO C[N@@H+](CCn1cncn1)C[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001266448725 835852655 /nfs/dbraw/zinc/85/26/55/835852655.db2.gz SUFJVHJPGKYHRN-CQSZACIVSA-N 1 1 336.465 0.705 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 ZINC001266451584 835854856 /nfs/dbraw/zinc/85/48/56/835854856.db2.gz FIMCDLAYVUIWFV-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001266469587 835870985 /nfs/dbraw/zinc/87/09/85/835870985.db2.gz OOQDRPUUEDJVIZ-CQSZACIVSA-N 1 1 344.419 0.247 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cncc(C)c1 ZINC001266474655 835876994 /nfs/dbraw/zinc/87/69/94/835876994.db2.gz SSKYERUXLMCKSF-NVXWUHKLSA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1cncc(C)c1 ZINC001266474655 835877000 /nfs/dbraw/zinc/87/70/00/835877000.db2.gz SSKYERUXLMCKSF-NVXWUHKLSA-N 1 1 342.443 0.651 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001266474093 835877505 /nfs/dbraw/zinc/87/75/05/835877505.db2.gz HKSMDYJPFDZLHG-AWEZNQCLSA-N 1 1 333.436 0.533 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001266474093 835877510 /nfs/dbraw/zinc/87/75/10/835877510.db2.gz HKSMDYJPFDZLHG-AWEZNQCLSA-N 1 1 333.436 0.533 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001266479681 835881078 /nfs/dbraw/zinc/88/10/78/835881078.db2.gz AUOWJHCLRDRYHJ-OAHLLOKOSA-N 1 1 326.400 0.904 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001266479681 835881081 /nfs/dbraw/zinc/88/10/81/835881081.db2.gz AUOWJHCLRDRYHJ-OAHLLOKOSA-N 1 1 326.400 0.904 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nccc1C ZINC001266482431 835881845 /nfs/dbraw/zinc/88/18/45/835881845.db2.gz BKMFOWKBLZYMKO-HUUCEWRRSA-N 1 1 333.436 0.463 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1nccc1C ZINC001266482431 835881851 /nfs/dbraw/zinc/88/18/51/835881851.db2.gz BKMFOWKBLZYMKO-HUUCEWRRSA-N 1 1 333.436 0.463 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1cn[nH]c1 ZINC001266486935 835886608 /nfs/dbraw/zinc/88/66/08/835886608.db2.gz SIHDRECSTDRSCW-HIFRSBDPSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1cn[nH]c1 ZINC001266486935 835886616 /nfs/dbraw/zinc/88/66/16/835886616.db2.gz SIHDRECSTDRSCW-HIFRSBDPSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1cccnc1 ZINC001266488216 835887461 /nfs/dbraw/zinc/88/74/61/835887461.db2.gz FETMHYFNAYNNAK-GDBMZVCRSA-N 1 1 328.416 0.515 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1cccnc1 ZINC001266488216 835887472 /nfs/dbraw/zinc/88/74/72/835887472.db2.gz FETMHYFNAYNNAK-GDBMZVCRSA-N 1 1 328.416 0.515 20 30 ECEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCNC2=O)CCOCC1 ZINC001266491996 835891708 /nfs/dbraw/zinc/89/17/08/835891708.db2.gz FVPLUKWPPQGYRH-CABCVRRESA-N 1 1 335.448 0.828 20 30 ECEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCNC2=O)CCOCC1 ZINC001266491996 835891714 /nfs/dbraw/zinc/89/17/14/835891714.db2.gz FVPLUKWPPQGYRH-CABCVRRESA-N 1 1 335.448 0.828 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC001266492687 835893018 /nfs/dbraw/zinc/89/30/18/835893018.db2.gz UVMFUDTUXUDVNH-OLZOCXBDSA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC001266492687 835893036 /nfs/dbraw/zinc/89/30/36/835893036.db2.gz UVMFUDTUXUDVNH-OLZOCXBDSA-N 1 1 333.436 0.857 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001266495690 835895505 /nfs/dbraw/zinc/89/55/05/835895505.db2.gz RHYQNKCEJGOLSM-CABCVRRESA-N 1 1 331.420 0.071 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001266498465 835898653 /nfs/dbraw/zinc/89/86/53/835898653.db2.gz WRNBHHALSPACIA-CRAIPNDOSA-N 1 1 335.448 0.666 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@H+](Cc2ccnc(OC)n2)C1 ZINC001266510707 835917268 /nfs/dbraw/zinc/91/72/68/835917268.db2.gz FAOZRDFOQIPPIO-CXAGYDPISA-N 1 1 334.420 0.750 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CC[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC001266511777 835919870 /nfs/dbraw/zinc/91/98/70/835919870.db2.gz QTKUGRWZMQWPEI-GJZGRUSLSA-N 1 1 328.478 0.909 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001266512047 835920260 /nfs/dbraw/zinc/92/02/60/835920260.db2.gz WRVOVXHBHLGHHZ-SUMWQHHRSA-N 1 1 334.420 0.750 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001266512047 835920268 /nfs/dbraw/zinc/92/02/68/835920268.db2.gz WRVOVXHBHLGHHZ-SUMWQHHRSA-N 1 1 334.420 0.750 20 30 ECEDMO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001266511961 835920404 /nfs/dbraw/zinc/92/04/04/835920404.db2.gz VLESPCAGJVCWNZ-HIFRSBDPSA-N 1 1 341.415 0.655 20 30 ECEDMO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001266511961 835920411 /nfs/dbraw/zinc/92/04/11/835920411.db2.gz VLESPCAGJVCWNZ-HIFRSBDPSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001266511973 835920620 /nfs/dbraw/zinc/92/06/20/835920620.db2.gz VMPPRAOFZLSSNX-CQSZACIVSA-N 1 1 334.420 0.170 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(OC)nn2)C1 ZINC001266514250 835925593 /nfs/dbraw/zinc/92/55/93/835925593.db2.gz OHRRQUXBYVCZQP-CQSZACIVSA-N 1 1 332.404 0.463 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2snnc2C2CC2)C1 ZINC001266517324 835928690 /nfs/dbraw/zinc/92/86/90/835928690.db2.gz IGXBJVIURQRQFR-NSHDSACASA-N 1 1 349.460 0.769 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC001266520953 835935203 /nfs/dbraw/zinc/93/52/03/835935203.db2.gz WXAZDUBTAWGNEW-KBPBESRZSA-N 1 1 344.415 0.280 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC001266523133 835938216 /nfs/dbraw/zinc/93/82/16/835938216.db2.gz HFKRVGPQHUWFTB-UONOGXRCSA-N 1 1 344.415 0.280 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C2(COC)CCC2)C1 ZINC001266523439 835938662 /nfs/dbraw/zinc/93/86/62/835938662.db2.gz NPMFQSZQSHXUKS-HUUCEWRRSA-N 1 1 335.448 0.379 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001266528054 835943409 /nfs/dbraw/zinc/94/34/09/835943409.db2.gz IPBMGACKXXMVOP-CHWSQXEVSA-N 1 1 342.390 0.890 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001266528054 835943413 /nfs/dbraw/zinc/94/34/13/835943413.db2.gz IPBMGACKXXMVOP-CHWSQXEVSA-N 1 1 342.390 0.890 20 30 ECEDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)ccc1F ZINC001266528628 835944765 /nfs/dbraw/zinc/94/47/65/835944765.db2.gz UNEVXBYXBAOPRH-CYBMUJFWSA-N 1 1 332.379 0.826 20 30 ECEDMO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)ccc1F ZINC001266528628 835944772 /nfs/dbraw/zinc/94/47/72/835944772.db2.gz UNEVXBYXBAOPRH-CYBMUJFWSA-N 1 1 332.379 0.826 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001266528823 835945798 /nfs/dbraw/zinc/94/57/98/835945798.db2.gz ZUYCHGGQLCSTIZ-HOTGVXAUSA-N 1 1 344.459 0.613 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001266533800 835951815 /nfs/dbraw/zinc/95/18/15/835951815.db2.gz QTCKLSWGTJVFBD-CQSZACIVSA-N 1 1 348.447 0.793 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)Cn3nccc3C)C2)C1=O ZINC001266537015 835955523 /nfs/dbraw/zinc/95/55/23/835955523.db2.gz CIKXOKWQKALEKM-CVEARBPZSA-N 1 1 345.447 0.417 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001266537887 835957338 /nfs/dbraw/zinc/95/73/38/835957338.db2.gz UIVFMNNWFFXYHA-UONOGXRCSA-N 1 1 348.447 0.490 20 30 ECEDMO C#CCNC(=O)[C@H](C)N(CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266560379 835988637 /nfs/dbraw/zinc/98/86/37/835988637.db2.gz JYVRTQWTUQMAMJ-RDJZCZTQSA-N 1 1 348.491 0.294 20 30 ECEDMO C#CCC[N@@H+](CCC)CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001266577727 836007952 /nfs/dbraw/zinc/00/79/52/836007952.db2.gz XEIJSGHNVSPMSC-OAHLLOKOSA-N 1 1 329.466 0.310 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CCNC(=O)C1CCC1)C1CC1 ZINC001266579570 836008440 /nfs/dbraw/zinc/00/84/40/836008440.db2.gz UBUFHLPNMLMAII-LBPRGKRZSA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCNC(=O)C1CCC1)C1CC1 ZINC001266579570 836008441 /nfs/dbraw/zinc/00/84/41/836008441.db2.gz UBUFHLPNMLMAII-LBPRGKRZSA-N 1 1 336.436 0.767 20 30 ECEDMO CC(C)CNC(=O)NC(=O)C[N@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001266591901 836023311 /nfs/dbraw/zinc/02/33/11/836023311.db2.gz BALVSPVYKXBXNW-UHFFFAOYSA-N 1 1 348.447 0.462 20 30 ECEDMO CC(C)CNC(=O)NC(=O)C[N@@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001266591901 836023318 /nfs/dbraw/zinc/02/33/18/836023318.db2.gz BALVSPVYKXBXNW-UHFFFAOYSA-N 1 1 348.447 0.462 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(C(C)(C)C)on1)C1CC1 ZINC001266599903 836034092 /nfs/dbraw/zinc/03/40/92/836034092.db2.gz BMLYMKVZOOSOOW-UHFFFAOYSA-N 1 1 346.431 0.916 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cc(C(C)(C)C)on1)C1CC1 ZINC001266599903 836034105 /nfs/dbraw/zinc/03/41/05/836034105.db2.gz BMLYMKVZOOSOOW-UHFFFAOYSA-N 1 1 346.431 0.916 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)Cc1cncc(C)c1)C1CC1 ZINC001266604730 836039021 /nfs/dbraw/zinc/03/90/21/836039021.db2.gz OSLPHMFWKRNJJT-OAHLLOKOSA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)Cc1cncc(C)c1)C1CC1 ZINC001266604730 836039034 /nfs/dbraw/zinc/03/90/34/836039034.db2.gz OSLPHMFWKRNJJT-OAHLLOKOSA-N 1 1 342.443 0.651 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccncn2)C1 ZINC001266664287 836101711 /nfs/dbraw/zinc/10/17/11/836101711.db2.gz ZKDSXMLJSZVXFD-GOEBONIOSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2ccnn2CC(F)F)C1 ZINC001279478548 836135693 /nfs/dbraw/zinc/13/56/93/836135693.db2.gz AKHJSCQVXRTMPI-HNNXBMFYSA-N 1 1 326.347 0.338 20 30 ECEDMO C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2ccnn2CC(F)F)C1 ZINC001279478548 836135695 /nfs/dbraw/zinc/13/56/95/836135695.db2.gz AKHJSCQVXRTMPI-HNNXBMFYSA-N 1 1 326.347 0.338 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1nnnn1C(C)(C)C ZINC001266728744 836207993 /nfs/dbraw/zinc/20/79/93/836207993.db2.gz JZLDHKNSFWEEGU-AWEZNQCLSA-N 1 1 347.467 0.074 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1nnnn1C(C)(C)C ZINC001266728744 836207999 /nfs/dbraw/zinc/20/79/99/836207999.db2.gz JZLDHKNSFWEEGU-AWEZNQCLSA-N 1 1 347.467 0.074 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CSCC#N)C1 ZINC001266739932 836222708 /nfs/dbraw/zinc/22/27/08/836222708.db2.gz HCQAOLIJGXZOGR-UONOGXRCSA-N 1 1 336.461 0.209 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266752518 836245508 /nfs/dbraw/zinc/24/55/08/836245508.db2.gz SXNMTPOTPWYQJH-HNNXBMFYSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266752518 836245520 /nfs/dbraw/zinc/24/55/20/836245520.db2.gz SXNMTPOTPWYQJH-HNNXBMFYSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccnc(OC)n2)C1 ZINC001266755704 836249078 /nfs/dbraw/zinc/24/90/78/836249078.db2.gz SQUNSYNDZCMWFC-CYBMUJFWSA-N 1 1 347.419 0.229 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](CNC(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001266758026 836254983 /nfs/dbraw/zinc/25/49/83/836254983.db2.gz MAVMTRXIHDTEFE-OAHLLOKOSA-N 1 1 346.431 0.891 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)CNC(C)=O)C1 ZINC001266764848 836269083 /nfs/dbraw/zinc/26/90/83/836269083.db2.gz WQIQNISVVJSSEN-INIZCTEOSA-N 1 1 337.464 0.627 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)CNC(=O)c1ccncc1 ZINC001266842959 836369869 /nfs/dbraw/zinc/36/98/69/836369869.db2.gz XZBRYMHKKRJYMW-INIZCTEOSA-N 1 1 328.416 0.805 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)COc1cc(C)on1 ZINC001266845073 836374147 /nfs/dbraw/zinc/37/41/47/836374147.db2.gz SZHYUNXNRVDRNC-AWEZNQCLSA-N 1 1 348.403 0.082 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)COc1cc(C)on1 ZINC001266845073 836374157 /nfs/dbraw/zinc/37/41/57/836374157.db2.gz SZHYUNXNRVDRNC-AWEZNQCLSA-N 1 1 348.403 0.082 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)CN1CCCCS1(=O)=O ZINC001266850193 836380096 /nfs/dbraw/zinc/38/00/96/836380096.db2.gz WGAFTDOTMUOFRR-HNNXBMFYSA-N 1 1 341.477 0.406 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C1=NC(=O)N(C)C1 ZINC001266875917 836423407 /nfs/dbraw/zinc/42/34/07/836423407.db2.gz CFTBBOHPVAHLOL-CHWSQXEVSA-N 1 1 349.435 0.401 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001266892272 836442693 /nfs/dbraw/zinc/44/26/93/836442693.db2.gz UEDRBNPCBPEXGP-CHWSQXEVSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001266901096 836454860 /nfs/dbraw/zinc/45/48/60/836454860.db2.gz OUYGEQJPRGEVNX-XPABHHOTSA-N 1 1 343.493 0.715 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)OCC ZINC001266901153 836455226 /nfs/dbraw/zinc/45/52/26/836455226.db2.gz ADMCQCCLFLMCID-YCCFLXJFSA-N 1 1 335.448 0.635 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NCCCC)C[C@H]21 ZINC001266901134 836455343 /nfs/dbraw/zinc/45/53/43/836455343.db2.gz VOGKIZVNZHZTDT-RFBLXINOSA-N 1 1 335.448 0.376 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[C@H](OC)C1 ZINC001266901284 836456095 /nfs/dbraw/zinc/45/60/95/836456095.db2.gz ZGOUNERHHHSPJF-LCEIHVTHSA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[C@H](OC)C1 ZINC001266901284 836456100 /nfs/dbraw/zinc/45/61/00/836456100.db2.gz ZGOUNERHHHSPJF-LCEIHVTHSA-N 1 1 349.475 0.930 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)COCC1CC1 ZINC001279540048 836477961 /nfs/dbraw/zinc/47/79/61/836477961.db2.gz GBIKVTQGNNKYOW-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)COCC1CC1 ZINC001279540048 836477970 /nfs/dbraw/zinc/47/79/70/836477970.db2.gz GBIKVTQGNNKYOW-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCCCCC(=O)NC[C@@H](C)[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001266934552 836492203 /nfs/dbraw/zinc/49/22/03/836492203.db2.gz YDNMMFBBDCDKQG-GFCCVEGCSA-N 1 1 344.419 0.857 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1nonc1C ZINC001266994376 836579795 /nfs/dbraw/zinc/57/97/95/836579795.db2.gz MLLDHRBPXUXJIH-SNVBAGLBSA-N 1 1 338.412 0.236 20 30 ECEDMO C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001267002163 836595575 /nfs/dbraw/zinc/59/55/75/836595575.db2.gz FUMPZTKXTMQBNG-CYBMUJFWSA-N 1 1 349.435 0.260 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(CC)[nH]n2)C1 ZINC001267004745 836602329 /nfs/dbraw/zinc/60/23/29/836602329.db2.gz VQEDPGTZMZYEGO-HNNXBMFYSA-N 1 1 345.447 0.977 20 30 ECEDMO CN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001408553332 836623246 /nfs/dbraw/zinc/62/32/46/836623246.db2.gz BHVJCZNUAJBIOK-GOEBONIOSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)C(=O)NC2CC2)C1 ZINC001267105566 836784846 /nfs/dbraw/zinc/78/48/46/836784846.db2.gz KVPQTNXZZUNNAH-ZBFHGGJFSA-N 1 1 335.448 0.616 20 30 ECEDMO CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001267107112 836789893 /nfs/dbraw/zinc/78/98/93/836789893.db2.gz APDOVOQQWVSTGX-HNNXBMFYSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001267108315 836791358 /nfs/dbraw/zinc/79/13/58/836791358.db2.gz MHEZHBHRQCNTGP-ZIAGYGMSSA-N 1 1 346.497 0.318 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CCNS(C)(=O)=O)C1 ZINC001267109369 836793911 /nfs/dbraw/zinc/79/39/11/836793911.db2.gz UVBTUEDYRQGLIA-CYBMUJFWSA-N 1 1 331.482 0.671 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001267109369 836793918 /nfs/dbraw/zinc/79/39/18/836793918.db2.gz UVBTUEDYRQGLIA-CYBMUJFWSA-N 1 1 331.482 0.671 20 30 ECEDMO CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001267110776 836796066 /nfs/dbraw/zinc/79/60/66/836796066.db2.gz BIRDQICOKWCSDE-GJZGRUSLSA-N 1 1 343.493 0.506 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2cnoc2CC)C1 ZINC001267111742 836797772 /nfs/dbraw/zinc/79/77/72/836797772.db2.gz LSPWMZNHISUPJL-UONOGXRCSA-N 1 1 346.431 0.911 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cnc(C)nc2C)C1 ZINC001267112328 836800541 /nfs/dbraw/zinc/80/05/41/836800541.db2.gz QMEHFGOEAGKPEM-HNNXBMFYSA-N 1 1 343.431 0.379 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2cnc(C)nc2C)C1 ZINC001267112328 836800552 /nfs/dbraw/zinc/80/05/52/836800552.db2.gz QMEHFGOEAGKPEM-HNNXBMFYSA-N 1 1 343.431 0.379 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2cn(CC)nn2)C1 ZINC001267113124 836801681 /nfs/dbraw/zinc/80/16/81/836801681.db2.gz DSKGTKLOLPBGSF-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CNC(=O)C(C)(C)C)C1 ZINC001267115392 836808732 /nfs/dbraw/zinc/80/87/32/836808732.db2.gz UUXSOSSXXRBVHA-HNNXBMFYSA-N 1 1 337.464 0.721 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001267177908 836919663 /nfs/dbraw/zinc/91/96/63/836919663.db2.gz ZHUVCTIJDJUNJB-HNNXBMFYSA-N 1 1 346.431 0.738 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001267202483 836980213 /nfs/dbraw/zinc/98/02/13/836980213.db2.gz ANUMWGXGCYADMX-KBPBESRZSA-N 1 1 333.436 0.184 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001267202483 836980223 /nfs/dbraw/zinc/98/02/23/836980223.db2.gz ANUMWGXGCYADMX-KBPBESRZSA-N 1 1 333.436 0.184 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1cnnn1-c1ccccc1 ZINC001267218603 837010008 /nfs/dbraw/zinc/01/00/08/837010008.db2.gz ASRJYEJJDLJQBF-UHFFFAOYSA-N 1 1 327.388 0.579 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@H+](C)C[C@H]1CCCOC1 ZINC001267220139 837012549 /nfs/dbraw/zinc/01/25/49/837012549.db2.gz JVQXBDUJZIARPC-HZPDHXFCSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001267230695 837032880 /nfs/dbraw/zinc/03/28/80/837032880.db2.gz YUTNMFZCJVKWMU-LBPRGKRZSA-N 1 1 349.435 0.080 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001267230695 837032890 /nfs/dbraw/zinc/03/28/90/837032890.db2.gz YUTNMFZCJVKWMU-LBPRGKRZSA-N 1 1 349.435 0.080 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)CCNC(=O)c1cccs1 ZINC001267230555 837032974 /nfs/dbraw/zinc/03/29/74/837032974.db2.gz SFDKRMQNBYJFOJ-UHFFFAOYSA-N 1 1 337.445 0.566 20 30 ECEDMO CC[N@H+](CCNC(=O)c1c(F)cccc1OC)CC(=O)NCC#N ZINC001267242001 837050423 /nfs/dbraw/zinc/05/04/23/837050423.db2.gz SLQXFLJJAAIBDZ-UHFFFAOYSA-N 1 1 336.367 0.526 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1c(F)cccc1OC)CC(=O)NCC#N ZINC001267242001 837050437 /nfs/dbraw/zinc/05/04/37/837050437.db2.gz SLQXFLJJAAIBDZ-UHFFFAOYSA-N 1 1 336.367 0.526 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1nccc(C)n1)C(C)C ZINC001267248257 837062581 /nfs/dbraw/zinc/06/25/81/837062581.db2.gz SWAWZJHPSSZUEA-UHFFFAOYSA-N 1 1 331.420 0.365 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1ccc(C#C)cn1 ZINC001267256089 837079710 /nfs/dbraw/zinc/07/97/10/837079710.db2.gz XKYIYTISCJMZNG-CQSZACIVSA-N 1 1 326.400 0.253 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1ccc(C#C)cn1 ZINC001267256089 837079718 /nfs/dbraw/zinc/07/97/18/837079718.db2.gz XKYIYTISCJMZNG-CQSZACIVSA-N 1 1 326.400 0.253 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001267275163 837117915 /nfs/dbraw/zinc/11/79/15/837117915.db2.gz DHRNYDQOSQMESX-SNVBAGLBSA-N 1 1 341.362 0.844 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001267275163 837117920 /nfs/dbraw/zinc/11/79/20/837117920.db2.gz DHRNYDQOSQMESX-SNVBAGLBSA-N 1 1 341.362 0.844 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccon1 ZINC001267277262 837120899 /nfs/dbraw/zinc/12/08/99/837120899.db2.gz VGCOCQRHTZLMKC-UKRRQHHQSA-N 1 1 332.404 0.326 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1ccon1 ZINC001267277262 837120903 /nfs/dbraw/zinc/12/09/03/837120903.db2.gz VGCOCQRHTZLMKC-UKRRQHHQSA-N 1 1 332.404 0.326 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267278841 837123902 /nfs/dbraw/zinc/12/39/02/837123902.db2.gz RRLVIUCWMPGTSJ-KBPBESRZSA-N 1 1 348.447 0.633 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001267279853 837127379 /nfs/dbraw/zinc/12/73/79/837127379.db2.gz MBDJRTXYWANUNO-ZIAGYGMSSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001267279853 837127388 /nfs/dbraw/zinc/12/73/88/837127388.db2.gz MBDJRTXYWANUNO-ZIAGYGMSSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(OC)c1 ZINC001267282234 837130618 /nfs/dbraw/zinc/13/06/18/837130618.db2.gz VFCMRDSJRCSPRQ-MRXNPFEDSA-N 1 1 343.427 0.568 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(OC)c1 ZINC001267282234 837130623 /nfs/dbraw/zinc/13/06/23/837130623.db2.gz VFCMRDSJRCSPRQ-MRXNPFEDSA-N 1 1 343.427 0.568 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001267283570 837133286 /nfs/dbraw/zinc/13/32/86/837133286.db2.gz NULSOGVDVDPMIG-FUHWJXTLSA-N 1 1 337.464 0.768 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001267283570 837133291 /nfs/dbraw/zinc/13/32/91/837133291.db2.gz NULSOGVDVDPMIG-FUHWJXTLSA-N 1 1 337.464 0.768 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc3cccn3cn2)C1 ZINC001267295812 837150718 /nfs/dbraw/zinc/15/07/18/837150718.db2.gz BDNJGJJDJZGUBL-CYBMUJFWSA-N 1 1 340.387 0.026 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc3cccn3cn2)C1 ZINC001267295812 837150720 /nfs/dbraw/zinc/15/07/20/837150720.db2.gz BDNJGJJDJZGUBL-CYBMUJFWSA-N 1 1 340.387 0.026 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCC(F)F)C1 ZINC001267297463 837155227 /nfs/dbraw/zinc/15/52/27/837155227.db2.gz HYMRHJBSMARMED-NSHDSACASA-N 1 1 346.378 0.482 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)c2cnn(C)c2)C1 ZINC001267298461 837160894 /nfs/dbraw/zinc/16/08/94/837160894.db2.gz NTFKPEBPAGEAJQ-LSDHHAIUSA-N 1 1 345.447 0.101 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccccc2F)C1 ZINC001267305682 837174293 /nfs/dbraw/zinc/17/42/93/837174293.db2.gz MVTQUPKKAPGZAU-CABCVRRESA-N 1 1 345.418 0.944 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Oc2ccccn2)C1 ZINC001267307468 837179489 /nfs/dbraw/zinc/17/94/89/837179489.db2.gz SUIRMYGWNNPPTA-HUUCEWRRSA-N 1 1 346.431 0.589 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)c2cccnc2)C1 ZINC001267307412 837179707 /nfs/dbraw/zinc/17/97/07/837179707.db2.gz SDJMLUMIATVPEF-CABCVRRESA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001267308578 837182623 /nfs/dbraw/zinc/18/26/23/837182623.db2.gz BWQBOXXIIWOWGZ-HOTGVXAUSA-N 1 1 325.453 0.348 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCc2nccs2)C1 ZINC001267309607 837182917 /nfs/dbraw/zinc/18/29/17/837182917.db2.gz MSCCZIDZIKAUDX-ZDUSSCGKSA-N 1 1 336.461 0.816 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001267308032 837183607 /nfs/dbraw/zinc/18/36/07/837183607.db2.gz YOBYNGJHSBPODN-AWEZNQCLSA-N 1 1 346.431 0.696 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)c1cn(C)nc1C ZINC001267311947 837186563 /nfs/dbraw/zinc/18/65/63/837186563.db2.gz KLOSROOAVOSEIT-AWEZNQCLSA-N 1 1 333.436 0.308 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)c1ccc(C(N)=O)s1 ZINC001267317808 837194307 /nfs/dbraw/zinc/19/43/07/837194307.db2.gz AOMHWCFWTHQLSR-UHFFFAOYSA-N 1 1 337.445 0.939 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cncc(C)c1)C1CC1 ZINC001267323769 837201594 /nfs/dbraw/zinc/20/15/94/837201594.db2.gz SIZVELYBYZKEMG-CQSZACIVSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cncc(C)c1)C1CC1 ZINC001267323769 837201601 /nfs/dbraw/zinc/20/16/01/837201601.db2.gz SIZVELYBYZKEMG-CQSZACIVSA-N 1 1 328.416 0.722 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCNC(=O)Cc2ccon2)C2CC2)C1=O ZINC001267323682 837201745 /nfs/dbraw/zinc/20/17/45/837201745.db2.gz PISVYAXFZHTBDV-HNNXBMFYSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCNC(=O)Cc2ccon2)C2CC2)C1=O ZINC001267323682 837201753 /nfs/dbraw/zinc/20/17/53/837201753.db2.gz PISVYAXFZHTBDV-HNNXBMFYSA-N 1 1 332.404 0.585 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cccc(OC)n1)C1CC1 ZINC001267336282 837220706 /nfs/dbraw/zinc/22/07/06/837220706.db2.gz LNBPDKUBQKUOJH-CYBMUJFWSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cccc(OC)n1)C1CC1 ZINC001267336282 837220710 /nfs/dbraw/zinc/22/07/10/837220710.db2.gz LNBPDKUBQKUOJH-CYBMUJFWSA-N 1 1 344.415 0.422 20 30 ECEDMO CN1CC[C@H]([NH2+][C@@H](CNC(=O)CSCC#N)c2ccccc2)C1=O ZINC001267350550 837237939 /nfs/dbraw/zinc/23/79/39/837237939.db2.gz FKOOABMPMAJTPN-GJZGRUSLSA-N 1 1 346.456 0.921 20 30 ECEDMO CC(C)(C)C(=O)C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC001267350181 837238302 /nfs/dbraw/zinc/23/83/02/837238302.db2.gz BGVKICOSWPIJEU-AWEZNQCLSA-N 1 1 344.415 0.688 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnc(C)s2)C1 ZINC001267577610 837835274 /nfs/dbraw/zinc/83/52/74/837835274.db2.gz CGKZRFABRLKWOZ-OCCSQVGLSA-N 1 1 348.472 0.983 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@@H](C[N@@H+](C)CCCS(C)(=O)=O)C1 ZINC001267581047 837843255 /nfs/dbraw/zinc/84/32/55/837843255.db2.gz IMAXASCKFFAXTM-HOCLYGCPSA-N 1 1 346.493 0.529 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC[C@H]2CC[N@H+](CC(N)=O)C2)cc1 ZINC001267582304 837848850 /nfs/dbraw/zinc/84/88/50/837848850.db2.gz CBZXNODPUHIOCU-AWEZNQCLSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CCNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001267584090 837854538 /nfs/dbraw/zinc/85/45/38/837854538.db2.gz UVGRGNQVSVYXES-ZDUSSCGKSA-N 1 1 327.388 0.406 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001267586217 837862940 /nfs/dbraw/zinc/86/29/40/837862940.db2.gz MFQUUCIDTPYFGI-AWEZNQCLSA-N 1 1 347.415 0.427 20 30 ECEDMO Cc1cnc(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NCC#N)C2)cc1C ZINC001267587944 837869376 /nfs/dbraw/zinc/86/93/76/837869376.db2.gz SMLCUBBYNVIGLX-OAHLLOKOSA-N 1 1 343.431 0.732 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001267588960 837874602 /nfs/dbraw/zinc/87/46/02/837874602.db2.gz GMFXVELIHKWPHI-GJZGRUSLSA-N 1 1 345.509 0.917 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001267597556 837904184 /nfs/dbraw/zinc/90/41/84/837904184.db2.gz YCAYVGQJEONQAQ-KBPBESRZSA-N 1 1 329.466 0.425 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)CC(F)(F)F)CC1 ZINC001267606436 837946548 /nfs/dbraw/zinc/94/65/48/837946548.db2.gz YVCHWMTWNYNDPT-UHFFFAOYSA-N 1 1 335.370 0.665 20 30 ECEDMO CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CC#CCOC)C2)C1 ZINC001267626124 838076636 /nfs/dbraw/zinc/07/66/36/838076636.db2.gz NQXUXCVAAVRWLX-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC#CCOC)C2)C1 ZINC001267626124 838076643 /nfs/dbraw/zinc/07/66/43/838076643.db2.gz NQXUXCVAAVRWLX-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCOCCN1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267632312 838093731 /nfs/dbraw/zinc/09/37/31/838093731.db2.gz NSUPERLDKLSTFD-INIZCTEOSA-N 1 1 339.480 0.880 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCC[N@H+](C[C@@H](C)OC)C1 ZINC001267634623 838103451 /nfs/dbraw/zinc/10/34/51/838103451.db2.gz HTUUPIUDINBZKN-KGLIPLIRSA-N 1 1 340.468 0.866 20 30 ECEDMO COCCOC[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001267646458 838133543 /nfs/dbraw/zinc/13/35/43/838133543.db2.gz PETPPJNSXRSHKP-SJORKVTESA-N 1 1 340.464 0.450 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001267653148 838156159 /nfs/dbraw/zinc/15/61/59/838156159.db2.gz MGLOCGWXTODJDV-AWEZNQCLSA-N 1 1 329.400 0.578 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001267658785 838174623 /nfs/dbraw/zinc/17/46/23/838174623.db2.gz RLLLNBIQGPNTAH-UXLLHSPISA-N 1 1 335.448 0.331 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cnn2C)C1 ZINC001267670916 838204690 /nfs/dbraw/zinc/20/46/90/838204690.db2.gz QCAJKGFXSMBYQP-CABCVRRESA-N 1 1 345.447 0.260 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267680212 838237718 /nfs/dbraw/zinc/23/77/18/838237718.db2.gz ZFHSUMXHGIRHKU-MRXNPFEDSA-N 1 1 336.480 0.553 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC001267681605 838239230 /nfs/dbraw/zinc/23/92/30/838239230.db2.gz ONRBVTSHJXUNRK-KGLIPLIRSA-N 1 1 337.464 0.766 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C)Cn2ccc(C)n2)C1 ZINC001267682600 838242548 /nfs/dbraw/zinc/24/25/48/838242548.db2.gz CEOZINXNBIBNSW-DZGCQCFKSA-N 1 1 347.463 0.566 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N(C)C)C1 ZINC001267691430 838261997 /nfs/dbraw/zinc/26/19/97/838261997.db2.gz YIECIHQJBZGUGR-ZOBUZTSGSA-N 1 1 337.464 0.836 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cnn(CC)c1 ZINC001267706506 838309088 /nfs/dbraw/zinc/30/90/88/838309088.db2.gz MUNUFNIVABATDA-IRXDYDNUSA-N 1 1 330.432 0.771 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cnn(CC)c1 ZINC001267706506 838309094 /nfs/dbraw/zinc/30/90/94/838309094.db2.gz MUNUFNIVABATDA-IRXDYDNUSA-N 1 1 330.432 0.771 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CC2CCN(C(=O)COCC)CC2)C1=O ZINC001267714382 838342052 /nfs/dbraw/zinc/34/20/52/838342052.db2.gz FUTVELHXHRCNMB-INIZCTEOSA-N 1 1 337.464 0.980 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001267724147 838384130 /nfs/dbraw/zinc/38/41/30/838384130.db2.gz UHOKLGNXEBBFDH-ZDUSSCGKSA-N 1 1 340.374 0.969 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001267724147 838384140 /nfs/dbraw/zinc/38/41/40/838384140.db2.gz UHOKLGNXEBBFDH-ZDUSSCGKSA-N 1 1 340.374 0.969 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)COCC(C)C)C2)c1 ZINC001267728845 838412344 /nfs/dbraw/zinc/41/23/44/838412344.db2.gz NOXAAWTYNYWNRF-ZWKOTPCHSA-N 1 1 345.443 0.901 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)CC1 ZINC001267733298 838426107 /nfs/dbraw/zinc/42/61/07/838426107.db2.gz JZQAZZKCPQCCNE-IBGZPJMESA-N 1 1 349.475 0.723 20 30 ECEDMO CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC001267733134 838426128 /nfs/dbraw/zinc/42/61/28/838426128.db2.gz DIVCEDAQNDMPFF-INIZCTEOSA-N 1 1 334.464 0.971 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CSC(C)C)C1 ZINC001267756754 838482148 /nfs/dbraw/zinc/48/21/48/838482148.db2.gz LRFLLTWJZFJRBL-KBPBESRZSA-N 1 1 325.478 0.799 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CSC(C)C)C1 ZINC001267756754 838482154 /nfs/dbraw/zinc/48/21/54/838482154.db2.gz LRFLLTWJZFJRBL-KBPBESRZSA-N 1 1 325.478 0.799 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001267757910 838482591 /nfs/dbraw/zinc/48/25/91/838482591.db2.gz FRTHEOAVCLYLEJ-HUUCEWRRSA-N 1 1 333.436 0.415 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001267757910 838482594 /nfs/dbraw/zinc/48/25/94/838482594.db2.gz FRTHEOAVCLYLEJ-HUUCEWRRSA-N 1 1 333.436 0.415 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267767171 838501721 /nfs/dbraw/zinc/50/17/21/838501721.db2.gz HLUHBHLEVOWADE-HZPDHXFCSA-N 1 1 349.479 0.279 20 30 ECEDMO C#CCCCCCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267767047 838502241 /nfs/dbraw/zinc/50/22/41/838502241.db2.gz CGAAJKRNYHILKK-KBPBESRZSA-N 1 1 336.436 0.686 20 30 ECEDMO C#CCCCCCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267767047 838502244 /nfs/dbraw/zinc/50/22/44/838502244.db2.gz CGAAJKRNYHILKK-KBPBESRZSA-N 1 1 336.436 0.686 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)COCC2CCCC2)C1 ZINC001267767243 838503613 /nfs/dbraw/zinc/50/36/13/838503613.db2.gz NQUBRSZWJOLHAN-DOTOQJQBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)COCC2CCCC2)C1 ZINC001267767243 838503617 /nfs/dbraw/zinc/50/36/17/838503617.db2.gz NQUBRSZWJOLHAN-DOTOQJQBSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001267771780 838522303 /nfs/dbraw/zinc/52/23/03/838522303.db2.gz NFIBWYNPUFAKHZ-XHSDSOJGSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001267771780 838522307 /nfs/dbraw/zinc/52/23/07/838522307.db2.gz NFIBWYNPUFAKHZ-XHSDSOJGSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CCC1 ZINC001267771987 838523805 /nfs/dbraw/zinc/52/38/05/838523805.db2.gz RAJILGCTCQIGOS-AWEZNQCLSA-N 1 1 348.447 0.817 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001267777213 838542832 /nfs/dbraw/zinc/54/28/32/838542832.db2.gz LATAZFNOTVHNNE-OAHLLOKOSA-N 1 1 345.447 0.767 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001267777213 838542840 /nfs/dbraw/zinc/54/28/40/838542840.db2.gz LATAZFNOTVHNNE-OAHLLOKOSA-N 1 1 345.447 0.767 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCOC2CCOCC2)C1 ZINC001267777361 838543601 /nfs/dbraw/zinc/54/36/01/838543601.db2.gz QGPLLILKYCZPMS-MRXNPFEDSA-N 1 1 338.448 0.755 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)CCOC2CCOCC2)C1 ZINC001267777361 838543606 /nfs/dbraw/zinc/54/36/06/838543606.db2.gz QGPLLILKYCZPMS-MRXNPFEDSA-N 1 1 338.448 0.755 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(C)c2C)C1 ZINC001267780900 838553699 /nfs/dbraw/zinc/55/36/99/838553699.db2.gz XPAXMPJJTCVHIH-CABCVRRESA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(C)c2C)C1 ZINC001267780900 838553703 /nfs/dbraw/zinc/55/37/03/838553703.db2.gz XPAXMPJJTCVHIH-CABCVRRESA-N 1 1 345.447 0.403 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267782695 838558793 /nfs/dbraw/zinc/55/87/93/838558793.db2.gz BGHDRMAVAVGXLL-ZBFHGGJFSA-N 1 1 346.493 0.671 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267782695 838558801 /nfs/dbraw/zinc/55/88/01/838558801.db2.gz BGHDRMAVAVGXLL-ZBFHGGJFSA-N 1 1 346.493 0.671 20 30 ECEDMO COCC#CC[NH2+]CC1(NC(=O)[C@@H]2CCCc3n[nH]nc32)CCCC1 ZINC001267841717 838639508 /nfs/dbraw/zinc/63/95/08/838639508.db2.gz DOURJSKQDYJWMC-CQSZACIVSA-N 1 1 345.447 0.893 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CCOC)nn2)C1 ZINC001105187950 838738483 /nfs/dbraw/zinc/73/84/83/838738483.db2.gz IBDROBUFILPRDW-CYBMUJFWSA-N 1 1 337.424 0.379 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001267966296 838882221 /nfs/dbraw/zinc/88/22/21/838882221.db2.gz JGIVWYIYGXVDIE-NWDGAFQWSA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCCC(=O)N1CCC2(CC[N@H+]([C@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001267972311 838902478 /nfs/dbraw/zinc/90/24/78/838902478.db2.gz AKFGDSDTZIIZLA-CYBMUJFWSA-N 1 1 336.436 0.851 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC2(CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001267973609 838905400 /nfs/dbraw/zinc/90/54/00/838905400.db2.gz VLBUDSVBOFOKRU-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)CC2 ZINC001267973861 838905765 /nfs/dbraw/zinc/90/57/65/838905765.db2.gz CVKVKVBEGSFMMI-KRWDZBQOSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCO1)CC2 ZINC001268042504 839187682 /nfs/dbraw/zinc/18/76/82/839187682.db2.gz RIRRIYSAQLAHGJ-LSDHHAIUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)CCCCOC)CC2 ZINC001268044603 839203159 /nfs/dbraw/zinc/20/31/59/839203159.db2.gz XGCACWOGFFXNCN-INIZCTEOSA-N 1 1 349.475 0.865 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)CNC(=O)C(C)(C)C)CC2 ZINC001268046653 839213445 /nfs/dbraw/zinc/21/34/45/839213445.db2.gz HMTPBBYHEFOJIF-UHFFFAOYSA-N 1 1 349.475 0.723 20 30 ECEDMO N#Cc1ncn(CC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000426441272 210150167 /nfs/dbraw/zinc/15/01/67/210150167.db2.gz DMXAMKBYUZRMKS-MRXNPFEDSA-N 1 1 338.415 0.831 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000178100402 232082802 /nfs/dbraw/zinc/08/28/02/232082802.db2.gz YMJOFZVALHODES-OAHLLOKOSA-N 1 1 342.399 0.677 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc(C#N)o2)CC1=O ZINC000425321182 210040110 /nfs/dbraw/zinc/04/01/10/210040110.db2.gz RKLKLMDAPUYUMM-GFCCVEGCSA-N 1 1 334.376 0.060 20 30 ECEDMO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC000329690128 283061738 /nfs/dbraw/zinc/06/17/38/283061738.db2.gz BLTITGXIGVLHMK-BFHYXJOUSA-N 1 1 329.466 0.751 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC000329690128 283061740 /nfs/dbraw/zinc/06/17/40/283061740.db2.gz BLTITGXIGVLHMK-BFHYXJOUSA-N 1 1 329.466 0.751 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NCC[NH+]2CCSCC2)cc1 ZINC000264888530 247011387 /nfs/dbraw/zinc/01/13/87/247011387.db2.gz WOWHLIAVHSMINV-UHFFFAOYSA-N 1 1 332.429 0.453 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000268543520 252010278 /nfs/dbraw/zinc/01/02/78/252010278.db2.gz HAPMEBJOLIZVLJ-UHFFFAOYSA-N 1 1 328.416 0.723 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[N@H+](C)C1 ZINC000413903843 208369364 /nfs/dbraw/zinc/36/93/64/208369364.db2.gz ORLQSYAGMFMLDQ-NSHDSACASA-N 1 1 336.779 0.783 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[N@@H+](C)C1 ZINC000413903843 208369369 /nfs/dbraw/zinc/36/93/69/208369369.db2.gz ORLQSYAGMFMLDQ-NSHDSACASA-N 1 1 336.779 0.783 20 30 ECEDMO C=CCNC(=O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000097595291 219037568 /nfs/dbraw/zinc/03/75/68/219037568.db2.gz BFNJLWAZCICMFZ-UHFFFAOYSA-N 1 1 338.496 0.705 20 30 ECEDMO CC#CC[N@H+](C)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000293048727 254579923 /nfs/dbraw/zinc/57/99/23/254579923.db2.gz HPRLGXDCOIFQBZ-CYBMUJFWSA-N 1 1 337.445 0.336 20 30 ECEDMO CC#CC[N@@H+](C)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000293048727 254579926 /nfs/dbraw/zinc/57/99/26/254579926.db2.gz HPRLGXDCOIFQBZ-CYBMUJFWSA-N 1 1 337.445 0.336 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000491230294 254904076 /nfs/dbraw/zinc/90/40/76/254904076.db2.gz LZOYIHSBYMZLBG-UHFFFAOYSA-N 1 1 329.447 0.389 20 30 ECEDMO C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000491306408 254907827 /nfs/dbraw/zinc/90/78/27/254907827.db2.gz MTJRPQXZPKJGLK-GFCCVEGCSA-N 1 1 330.388 0.653 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](CN3CCOC3=O)C2)cc1 ZINC000495865658 255050920 /nfs/dbraw/zinc/05/09/20/255050920.db2.gz BCBSWYNYEWSCFH-INIZCTEOSA-N 1 1 342.399 0.949 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)COc2ccccc2C#N)CC1 ZINC000046448452 164548052 /nfs/dbraw/zinc/54/80/52/164548052.db2.gz GLQGVIHEAMWWEC-UHFFFAOYSA-N 1 1 330.388 0.264 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001077963286 782023963 /nfs/dbraw/zinc/02/39/63/782023963.db2.gz LZYMAPFTPKKMBZ-JKSUJKDBSA-N 1 1 337.464 0.766 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001077963981 782026786 /nfs/dbraw/zinc/02/67/86/782026786.db2.gz OFFGBWVYZBXATO-VXGBXAGGSA-N 1 1 326.828 0.987 20 30 ECEDMO C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000611582069 420653885 /nfs/dbraw/zinc/65/38/85/420653885.db2.gz BOZIQVVHYTTWJG-FZMZJTMJSA-N 1 1 349.439 0.157 20 30 ECEDMO C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000611582069 420653887 /nfs/dbraw/zinc/65/38/87/420653887.db2.gz BOZIQVVHYTTWJG-FZMZJTMJSA-N 1 1 349.439 0.157 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC[N@H+]3CCCOCC3)CC2)c1C#N ZINC000361375562 269927598 /nfs/dbraw/zinc/92/75/98/269927598.db2.gz JXKBDURCJWAVAO-UHFFFAOYSA-N 1 1 332.452 0.445 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](NC(N)=O)C3)C2=O)cc1 ZINC000272383936 263345697 /nfs/dbraw/zinc/34/56/97/263345697.db2.gz CCHIESJITTXNJK-UKRRQHHQSA-N 1 1 327.388 0.796 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H](NC(N)=O)C3)C2=O)cc1 ZINC000272383936 263345699 /nfs/dbraw/zinc/34/56/99/263345699.db2.gz CCHIESJITTXNJK-UKRRQHHQSA-N 1 1 327.388 0.796 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272814240 263376991 /nfs/dbraw/zinc/37/69/91/263376991.db2.gz LQAFTWXMZYUMLA-HZPDHXFCSA-N 1 1 342.399 0.500 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272814240 263376993 /nfs/dbraw/zinc/37/69/93/263376993.db2.gz LQAFTWXMZYUMLA-HZPDHXFCSA-N 1 1 342.399 0.500 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528424069 270008050 /nfs/dbraw/zinc/00/80/50/270008050.db2.gz KIWNQAXYNPCKRP-MRXNPFEDSA-N 1 1 341.415 0.854 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296339586 267397575 /nfs/dbraw/zinc/39/75/75/267397575.db2.gz VJTZFFYBSRBNMH-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296339586 267397580 /nfs/dbraw/zinc/39/75/80/267397580.db2.gz VJTZFFYBSRBNMH-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CCC[N@H+]3C)CC2)c1C#N ZINC000530355970 268090347 /nfs/dbraw/zinc/09/03/47/268090347.db2.gz XJSUKQHSYLTYAV-CQSZACIVSA-N 1 1 345.451 0.526 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1F ZINC000290538915 268134656 /nfs/dbraw/zinc/13/46/56/268134656.db2.gz RSPBQXHQQWBKKR-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)cc1 ZINC000289458604 268179065 /nfs/dbraw/zinc/17/90/65/268179065.db2.gz PWXXBDNNNYQEOZ-ZIAGYGMSSA-N 1 1 343.387 0.589 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000376394453 268191325 /nfs/dbraw/zinc/19/13/25/268191325.db2.gz JICMQCBDZPSRQY-OLZOCXBDSA-N 1 1 339.417 0.761 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000284076734 268248902 /nfs/dbraw/zinc/24/89/02/268248902.db2.gz RSLYIUFYIKBZAP-UHFFFAOYSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000368975375 268251028 /nfs/dbraw/zinc/25/10/28/268251028.db2.gz VIPATMIGRRPTBM-YQQAZPJKSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000368975375 268251030 /nfs/dbraw/zinc/25/10/30/268251030.db2.gz VIPATMIGRRPTBM-YQQAZPJKSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2cnccn2)CC1 ZINC000528361311 268301871 /nfs/dbraw/zinc/30/18/71/268301871.db2.gz ZXZRXVRYVQOEHK-MRXNPFEDSA-N 1 1 339.399 0.910 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357395951 268307543 /nfs/dbraw/zinc/30/75/43/268307543.db2.gz ZTVRQOHWWPGUNK-SNVBAGLBSA-N 1 1 328.419 0.311 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357395951 268307547 /nfs/dbraw/zinc/30/75/47/268307547.db2.gz ZTVRQOHWWPGUNK-SNVBAGLBSA-N 1 1 328.419 0.311 20 30 ECEDMO CN(C)C(=O)Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000330717507 437598135 /nfs/dbraw/zinc/59/81/35/437598135.db2.gz UWEZFVMCEXMAPJ-INIZCTEOSA-N 1 1 347.463 0.889 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC001041720482 782050934 /nfs/dbraw/zinc/05/09/34/782050934.db2.gz QAOBTCFBZREDKH-INIZCTEOSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC001041720482 782050944 /nfs/dbraw/zinc/05/09/44/782050944.db2.gz QAOBTCFBZREDKH-INIZCTEOSA-N 1 1 326.462 0.922 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000421004313 280134290 /nfs/dbraw/zinc/13/42/90/280134290.db2.gz NYXGFIVXLVDEJB-SJORKVTESA-N 1 1 335.496 0.705 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000340213923 437603845 /nfs/dbraw/zinc/60/38/45/437603845.db2.gz SGRFLRKLTJBUGS-OAGGEKHMSA-N 1 1 337.464 0.932 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1sccc1C#N ZINC000340223287 437609162 /nfs/dbraw/zinc/60/91/62/437609162.db2.gz QBNILZHBUVRCNL-LBPRGKRZSA-N 1 1 349.460 0.700 20 30 ECEDMO C[NH+](C)[C@@]1(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)CCSC1 ZINC000329779767 289340438 /nfs/dbraw/zinc/34/04/38/289340438.db2.gz RGTLEMOGWIMRKX-CQSZACIVSA-N 1 1 349.522 0.847 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000329285508 290087383 /nfs/dbraw/zinc/08/73/83/290087383.db2.gz OJVULLKRSRRXHB-LZWOXQAQSA-N 1 1 343.493 0.954 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCCC(=O)N(C)C)C[C@H](C)O1 ZINC000330632378 297013153 /nfs/dbraw/zinc/01/31/53/297013153.db2.gz HVDNRCHVHBVWBJ-ZNMIVQPWSA-N 1 1 340.468 0.952 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCCC(=O)N(C)C)C[C@H](C)O1 ZINC000330632378 297013154 /nfs/dbraw/zinc/01/31/54/297013154.db2.gz HVDNRCHVHBVWBJ-ZNMIVQPWSA-N 1 1 340.468 0.952 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](CC)OC)C[C@H]1O ZINC001077977932 782059314 /nfs/dbraw/zinc/05/93/14/782059314.db2.gz WTOBNQDMPPLFNK-RBSFLKMASA-N 1 1 349.431 0.846 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CCOC[C@@H]2c2ncnn2C)C[N@H+]1C1CC1 ZINC000328854335 297320231 /nfs/dbraw/zinc/32/02/31/297320231.db2.gz CICFBLHFYQZRIO-MBNYWOFBSA-N 1 1 334.424 0.728 20 30 ECEDMO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CN1CC[NH+](C)CC1 ZINC000329571450 298245323 /nfs/dbraw/zinc/24/53/23/298245323.db2.gz MSLQBVXTFRUFTD-FXUDXRNXSA-N 1 1 325.453 0.878 20 30 ECEDMO C[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)C[NH+]1CCOCC1 ZINC000329093372 298245423 /nfs/dbraw/zinc/24/54/23/298245423.db2.gz AOIWOMVHYUVATE-INMHGKMJSA-N 1 1 341.452 0.796 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000407971379 298275758 /nfs/dbraw/zinc/27/57/58/298275758.db2.gz AWBNJSVRNRUUIK-CHWSQXEVSA-N 1 1 332.470 0.242 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000407971379 298275760 /nfs/dbraw/zinc/27/57/60/298275760.db2.gz AWBNJSVRNRUUIK-CHWSQXEVSA-N 1 1 332.470 0.242 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074751255 436139545 /nfs/dbraw/zinc/13/95/45/436139545.db2.gz LUEAOZMUADEBAE-UHFFFAOYSA-N 1 1 331.376 0.560 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074751255 436139552 /nfs/dbraw/zinc/13/95/52/436139552.db2.gz LUEAOZMUADEBAE-UHFFFAOYSA-N 1 1 331.376 0.560 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000029223904 436199506 /nfs/dbraw/zinc/19/95/06/436199506.db2.gz MLUCKDCMTINZSB-UHFFFAOYSA-N 1 1 343.431 0.982 20 30 ECEDMO Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCOC[C@@H]2C#N)CC1 ZINC000081214504 436337892 /nfs/dbraw/zinc/33/78/92/436337892.db2.gz KQIQHTHNKJTSOG-SFHVURJKSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CC[N@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000091173074 436442432 /nfs/dbraw/zinc/44/24/32/436442432.db2.gz AZLQVMOIASUNFO-LSDHHAIUSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000091217064 436444521 /nfs/dbraw/zinc/44/45/21/436444521.db2.gz IYQOQTLGVYJJPY-ZIAGYGMSSA-N 1 1 329.466 0.549 20 30 ECEDMO CC[N@@H+](CCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)C1CC1 ZINC000091235641 436445747 /nfs/dbraw/zinc/44/57/47/436445747.db2.gz GDCBQRUWSGQFLR-UHFFFAOYSA-N 1 1 332.408 0.875 20 30 ECEDMO N#Cc1ccc2ncc(C[N@H+](CCO)CCN3CCOCC3)n2c1 ZINC000092186539 436466860 /nfs/dbraw/zinc/46/68/60/436466860.db2.gz SBJXJAQUZWQNFK-UHFFFAOYSA-N 1 1 329.404 0.332 20 30 ECEDMO N#Cc1ccc2ncc(C[N@@H+](CCO)CCN3CCOCC3)n2c1 ZINC000092186539 436466864 /nfs/dbraw/zinc/46/68/64/436466864.db2.gz SBJXJAQUZWQNFK-UHFFFAOYSA-N 1 1 329.404 0.332 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CCN2CCCC2=O)CC1 ZINC000092618666 436473032 /nfs/dbraw/zinc/47/30/32/436473032.db2.gz BWJPWPYANCCMTB-INIZCTEOSA-N 1 1 349.479 0.233 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCN2CCCC2=O)CC1 ZINC000092618666 436473033 /nfs/dbraw/zinc/47/30/33/436473033.db2.gz BWJPWPYANCCMTB-INIZCTEOSA-N 1 1 349.479 0.233 20 30 ECEDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000050993812 436481582 /nfs/dbraw/zinc/48/15/82/436481582.db2.gz ITJJLOZUNZTPJL-OAHLLOKOSA-N 1 1 333.436 0.881 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)NC(C)C)CC1 ZINC000051707188 436494084 /nfs/dbraw/zinc/49/40/84/436494084.db2.gz WXVCFNHADRBEBL-UHFFFAOYSA-N 1 1 338.496 0.943 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(CC(=O)NC(C)C)CC1 ZINC000051707188 436494086 /nfs/dbraw/zinc/49/40/86/436494086.db2.gz WXVCFNHADRBEBL-UHFFFAOYSA-N 1 1 338.496 0.943 20 30 ECEDMO CNC(=O)NC(=O)CC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000051851906 436498424 /nfs/dbraw/zinc/49/84/24/436498424.db2.gz HODJTQNFZSVPJZ-UHFFFAOYSA-N 1 1 329.404 0.916 20 30 ECEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000107301882 436610753 /nfs/dbraw/zinc/61/07/53/436610753.db2.gz QWSUFICRKDSPIC-CQSZACIVSA-N 1 1 338.433 0.442 20 30 ECEDMO C=CC1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000111259748 436630846 /nfs/dbraw/zinc/63/08/46/436630846.db2.gz PRTUIYBNGWETBT-UHFFFAOYSA-N 1 1 348.447 0.866 20 30 ECEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000110743905 436629651 /nfs/dbraw/zinc/62/96/51/436629651.db2.gz SGQBCVFYNYCAGW-HNNXBMFYSA-N 1 1 330.432 0.884 20 30 ECEDMO C[NH2+]CCCc1[nH]nc(NC(=O)CCCCc2cn[nH]n2)c1C#N ZINC000545246929 302232953 /nfs/dbraw/zinc/23/29/53/302232953.db2.gz IWDFBCLEAXFUAN-UHFFFAOYSA-N 1 1 330.396 0.903 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000066496940 436688462 /nfs/dbraw/zinc/68/84/62/436688462.db2.gz UNZZWTQKXADQKQ-UHFFFAOYSA-N 1 1 334.445 0.759 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CSCC#N)CC2)CC1 ZINC000066858634 436697668 /nfs/dbraw/zinc/69/76/68/436697668.db2.gz ASXBGXCXGJCYCM-UHFFFAOYSA-N 1 1 338.477 0.646 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000121681194 436723392 /nfs/dbraw/zinc/72/33/92/436723392.db2.gz QXIPSYOXJDDGDB-CQSZACIVSA-N 1 1 326.441 0.431 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000273076756 436732499 /nfs/dbraw/zinc/73/24/99/436732499.db2.gz KMRXWZVEEKVOJY-CHWSQXEVSA-N 1 1 325.409 0.862 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000124325393 436748280 /nfs/dbraw/zinc/74/82/80/436748280.db2.gz AHYYTQZGLQMEOO-QMTHXVAHSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000124325393 436748283 /nfs/dbraw/zinc/74/82/83/436748283.db2.gz AHYYTQZGLQMEOO-QMTHXVAHSA-N 1 1 334.351 0.471 20 30 ECEDMO C#CCSCCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000246229864 436775566 /nfs/dbraw/zinc/77/55/66/436775566.db2.gz SASPSTKSFPZRTN-GJZGRUSLSA-N 1 1 337.489 0.802 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131246644 436850485 /nfs/dbraw/zinc/85/04/85/436850485.db2.gz MMWBZFZMDWMXBP-DOTOQJQBSA-N 1 1 348.491 0.990 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1c(F)cc(C#C)cc1F ZINC000293299641 436864146 /nfs/dbraw/zinc/86/41/46/436864146.db2.gz HISHXWXZINUBGB-UHFFFAOYSA-N 1 1 333.338 0.956 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)NCC[N@@H+](CC)CCO)c1 ZINC000274409447 436823751 /nfs/dbraw/zinc/82/37/51/436823751.db2.gz GKIMOOKVVWDRQK-UHFFFAOYSA-N 1 1 333.388 0.068 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1ccccc1OCC ZINC000293939439 436921586 /nfs/dbraw/zinc/92/15/86/436921586.db2.gz IVOSDSRIHBEYRM-UHFFFAOYSA-N 1 1 331.416 0.886 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CN1CCN(c2ccccn2)CC1 ZINC000293979504 436925392 /nfs/dbraw/zinc/92/53/92/436925392.db2.gz MUBYSAXGGZZMTA-UHFFFAOYSA-N 1 1 329.448 0.275 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)/C=C/c1ccc(OCC(N)=O)cc1 ZINC000294015585 436926102 /nfs/dbraw/zinc/92/61/02/436926102.db2.gz QACPZCVPYNUZOF-JXMROGBWSA-N 1 1 329.400 0.635 20 30 ECEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000133477695 436879137 /nfs/dbraw/zinc/87/91/37/436879137.db2.gz HXQQAZMATQMFKN-KGLIPLIRSA-N 1 1 344.419 0.820 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN(C)CCN1C)N(C)Cc1cc(Cl)cn1C ZINC000262026514 436902142 /nfs/dbraw/zinc/90/21/42/436902142.db2.gz ZUSRNQCNFUAIOG-HNNXBMFYSA-N 1 1 340.903 0.932 20 30 ECEDMO C=C(C)COCCNC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000135016078 436907865 /nfs/dbraw/zinc/90/78/65/436907865.db2.gz IGDKNADHEYDQSA-UHFFFAOYSA-N 1 1 340.468 0.869 20 30 ECEDMO C=C(C)COCCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000135040771 436908558 /nfs/dbraw/zinc/90/85/58/436908558.db2.gz RXFBDJURLAOEIB-AWEZNQCLSA-N 1 1 326.441 0.466 20 30 ECEDMO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295272405 436963187 /nfs/dbraw/zinc/96/31/87/436963187.db2.gz CIMOPWDFFUHNHN-NJAFHUGGSA-N 1 1 331.416 0.703 20 30 ECEDMO C=CCN1CC[C@@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000281404584 436966035 /nfs/dbraw/zinc/96/60/35/436966035.db2.gz XTNWBABTWAKJSO-MRXNPFEDSA-N 1 1 344.463 0.447 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000294030147 436928828 /nfs/dbraw/zinc/92/88/28/436928828.db2.gz RLNREDDZWNTYJK-UHFFFAOYSA-N 1 1 337.445 0.622 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000294064300 436932353 /nfs/dbraw/zinc/93/23/53/436932353.db2.gz VGWBMVOFAWDDJS-GJZGRUSLSA-N 1 1 330.388 0.029 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000296921438 436998820 /nfs/dbraw/zinc/99/88/20/436998820.db2.gz OHBZFFAMTWQNKL-UHFFFAOYSA-N 1 1 329.448 0.864 20 30 ECEDMO COCC(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000298739116 437052188 /nfs/dbraw/zinc/05/21/88/437052188.db2.gz JFRHUXWIOOQFQU-UHFFFAOYSA-N 1 1 330.388 0.677 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298782196 437053876 /nfs/dbraw/zinc/05/38/76/437053876.db2.gz YEJMLPDOEVCASE-GJZGRUSLSA-N 1 1 343.493 0.837 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 ZINC000299314450 437068651 /nfs/dbraw/zinc/06/86/51/437068651.db2.gz LDDYLFHPYVOWOD-RYUDHWBXSA-N 1 1 331.338 0.611 20 30 ECEDMO NC(=O)[C@@]1(O)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000284858786 437074808 /nfs/dbraw/zinc/07/48/08/437074808.db2.gz DEMZNGCPCPAHMG-CQSZACIVSA-N 1 1 328.290 0.859 20 30 ECEDMO C#CC[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC000299426425 437077100 /nfs/dbraw/zinc/07/71/00/437077100.db2.gz UWZRYUAWTGCYDM-UHFFFAOYSA-N 1 1 349.456 0.480 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000175214619 437096747 /nfs/dbraw/zinc/09/67/47/437096747.db2.gz ZSCZOWOWDSOYFZ-UHFFFAOYSA-N 1 1 339.403 0.618 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000331816328 437163563 /nfs/dbraw/zinc/16/35/63/437163563.db2.gz GJJVMZDVXGYJGX-QLFBSQMISA-N 1 1 333.436 0.627 20 30 ECEDMO N#Cc1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000265384887 437119051 /nfs/dbraw/zinc/11/90/51/437119051.db2.gz SBVFQPRIJUCYSL-HOTGVXAUSA-N 1 1 335.429 0.146 20 30 ECEDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000301392696 437120178 /nfs/dbraw/zinc/12/01/78/437120178.db2.gz IKZVFQNFYVZJCS-LBPRGKRZSA-N 1 1 337.449 0.253 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+](C)CC(=O)N1CCOCC1 ZINC000265833633 437198922 /nfs/dbraw/zinc/19/89/22/437198922.db2.gz LPCRMPWNPVYRFX-UHFFFAOYSA-N 1 1 333.388 0.736 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000265833633 437198926 /nfs/dbraw/zinc/19/89/26/437198926.db2.gz LPCRMPWNPVYRFX-UHFFFAOYSA-N 1 1 333.388 0.736 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 ZINC000277922948 437266034 /nfs/dbraw/zinc/26/60/34/437266034.db2.gz YEWKYJSODSBPON-NSHDSACASA-N 1 1 335.408 0.852 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)C1 ZINC000328825063 437268472 /nfs/dbraw/zinc/26/84/72/437268472.db2.gz RRZPQJWCOQDPHO-ZENOOKHLSA-N 1 1 349.435 0.617 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000328828262 437268513 /nfs/dbraw/zinc/26/85/13/437268513.db2.gz IUCVZLLKUGGILI-GDBMZVCRSA-N 1 1 338.452 0.564 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)NCC2CCN(S(C)(=O)=O)CC2)CC[N@H+]1C ZINC000328707912 437254787 /nfs/dbraw/zinc/25/47/87/437254787.db2.gz ZRPFUHNHGFZJQT-TZMCWYRMSA-N 1 1 346.497 0.644 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)c2cn([C@@H]3CCOC3)nn2)CC1(C)C ZINC000328736370 437258290 /nfs/dbraw/zinc/25/82/90/437258290.db2.gz ZLFBVVHNKOWJME-CYBMUJFWSA-N 1 1 336.440 0.570 20 30 ECEDMO CCOC(=O)CO/N=C(/C(=O)NCCn1cc[nH+]c1C)c1cc[nH]n1 ZINC000277893169 437261144 /nfs/dbraw/zinc/26/11/44/437261144.db2.gz CICKKELMKWSOOF-XSFVSMFZSA-N 1 1 348.363 0.015 20 30 ECEDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000266906255 437264257 /nfs/dbraw/zinc/26/42/57/437264257.db2.gz IPDKOQLEGOCYLA-ZDUSSCGKSA-N 1 1 348.407 0.898 20 30 ECEDMO COCCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000288268580 437302607 /nfs/dbraw/zinc/30/26/07/437302607.db2.gz HVNHCCNDCGWIHO-UHFFFAOYSA-N 1 1 325.434 0.946 20 30 ECEDMO Cn1c(NCC[N@@H+](C)Cc2ccc(F)cc2)c(C#N)c(=O)n(C)c1=O ZINC000267208370 437305786 /nfs/dbraw/zinc/30/57/86/437305786.db2.gz QABKQQVLPHRPNG-UHFFFAOYSA-N 1 1 345.378 0.639 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000336905373 437307637 /nfs/dbraw/zinc/30/76/37/437307637.db2.gz DRCPKCJMQTVYSL-AWEZNQCLSA-N 1 1 332.470 0.413 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000336905373 437307639 /nfs/dbraw/zinc/30/76/39/437307639.db2.gz DRCPKCJMQTVYSL-AWEZNQCLSA-N 1 1 332.470 0.413 20 30 ECEDMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000336905391 437307833 /nfs/dbraw/zinc/30/78/33/437307833.db2.gz DSMDFACNZVSNBX-KBPBESRZSA-N 1 1 344.481 0.556 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000336909078 437309542 /nfs/dbraw/zinc/30/95/42/437309542.db2.gz HEIZFOCEQDKDTA-KBPBESRZSA-N 1 1 332.470 0.556 20 30 ECEDMO CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336918709 437311325 /nfs/dbraw/zinc/31/13/25/437311325.db2.gz OSGWSCWWYFZRCR-HUUCEWRRSA-N 1 1 344.481 0.700 20 30 ECEDMO Cn1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000329072575 437313397 /nfs/dbraw/zinc/31/33/97/437313397.db2.gz ZNBGSKCPFFZPDY-CQSZACIVSA-N 1 1 334.424 0.073 20 30 ECEDMO COc1ccc(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)nn1 ZINC000329118598 437320367 /nfs/dbraw/zinc/32/03/67/437320367.db2.gz JMULGXJMWPXWFK-UHFFFAOYSA-N 1 1 336.440 1.227 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCC2(C)CCOCC2)CC1 ZINC000329115431 437320601 /nfs/dbraw/zinc/32/06/01/437320601.db2.gz IEIQEOKPXXCDRK-UHFFFAOYSA-N 1 1 326.441 0.471 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CCn2cccn2)CC1 ZINC000180645592 437296740 /nfs/dbraw/zinc/29/67/40/437296740.db2.gz BPWITOFGWONZPS-MRXNPFEDSA-N 1 1 332.452 0.507 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCn2cccn2)CC1 ZINC000180645592 437296746 /nfs/dbraw/zinc/29/67/46/437296746.db2.gz BPWITOFGWONZPS-MRXNPFEDSA-N 1 1 332.452 0.507 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000180675591 437299314 /nfs/dbraw/zinc/29/93/14/437299314.db2.gz BGVIXWLJDVZYHK-UHFFFAOYSA-N 1 1 331.420 0.960 20 30 ECEDMO COC[C@H](C)OC[C@H](O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000278762050 437341588 /nfs/dbraw/zinc/34/15/88/437341588.db2.gz VJNNDBKLDQQWSP-GOEBONIOSA-N 1 1 334.420 0.488 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC000329284132 437345445 /nfs/dbraw/zinc/34/54/45/437345445.db2.gz FZQOZAWBJDDHIF-HUUCEWRRSA-N 1 1 340.468 0.856 20 30 ECEDMO CS(=O)(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329283186 437346311 /nfs/dbraw/zinc/34/63/11/437346311.db2.gz FPLVWQDYTYNKHK-LBPRGKRZSA-N 1 1 330.454 0.151 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C[N@@H+]1C1CC1 ZINC000329300735 437349349 /nfs/dbraw/zinc/34/93/49/437349349.db2.gz VMRBQXNOLZHTDM-AGIUHOORSA-N 1 1 329.466 0.940 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C[N@H+]1C1CC1 ZINC000329300735 437349351 /nfs/dbraw/zinc/34/93/51/437349351.db2.gz VMRBQXNOLZHTDM-AGIUHOORSA-N 1 1 329.466 0.940 20 30 ECEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000288741067 437350333 /nfs/dbraw/zinc/35/03/33/437350333.db2.gz HALGRNCZQKDSRN-ZDUSSCGKSA-N 1 1 334.424 0.972 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H](C)C1=CC[N@@H+](C)CC1)CC2 ZINC000329312131 437351305 /nfs/dbraw/zinc/35/13/05/437351305.db2.gz RIJGAHKPUKDZEG-GXTWGEPZSA-N 1 1 348.451 0.893 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H](C)C1=CC[N@H+](C)CC1)CC2 ZINC000329312131 437351310 /nfs/dbraw/zinc/35/13/10/437351310.db2.gz RIJGAHKPUKDZEG-GXTWGEPZSA-N 1 1 348.451 0.893 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H](C)C1=CC[N@@H+](C)CC1)CC2 ZINC000329312131 437351313 /nfs/dbraw/zinc/35/13/13/437351313.db2.gz RIJGAHKPUKDZEG-GXTWGEPZSA-N 1 1 348.451 0.893 20 30 ECEDMO CN1CCN(C)[C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000329390080 437361427 /nfs/dbraw/zinc/36/14/27/437361427.db2.gz USYMCQMPSYHJEE-HNNXBMFYSA-N 1 1 325.501 0.999 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000337079510 437328789 /nfs/dbraw/zinc/32/87/89/437328789.db2.gz WJYMAYZSBDBTDY-CYBMUJFWSA-N 1 1 332.470 0.101 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000288560776 437332999 /nfs/dbraw/zinc/33/29/99/437332999.db2.gz UANLHVZAKAZBPQ-AWEZNQCLSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000288560776 437333006 /nfs/dbraw/zinc/33/30/06/437333006.db2.gz UANLHVZAKAZBPQ-AWEZNQCLSA-N 1 1 349.456 0.764 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccc3c(c2)OCO3)C1=O ZINC000337181457 437338791 /nfs/dbraw/zinc/33/87/91/437338791.db2.gz MPCIAAOIPPDLCE-DZGCQCFKSA-N 1 1 348.399 0.874 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCOC2)CC1 ZINC000329765065 437411071 /nfs/dbraw/zinc/41/10/71/437411071.db2.gz WNPALLUJKHUSOC-LSDHHAIUSA-N 1 1 338.452 0.565 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCCS(=O)(=O)C2)CCSC1 ZINC000329801401 437414477 /nfs/dbraw/zinc/41/44/77/437414477.db2.gz YSIOAJCDFSYLBO-YPMHNXCESA-N 1 1 335.495 0.505 20 30 ECEDMO Cc1nc(CNC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)no1 ZINC000329803501 437414591 /nfs/dbraw/zinc/41/45/91/437414591.db2.gz LEMKBYUUZLPRBN-UHFFFAOYSA-N 1 1 333.396 0.733 20 30 ECEDMO Cc1nc(CNC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)no1 ZINC000329803501 437414593 /nfs/dbraw/zinc/41/45/93/437414593.db2.gz LEMKBYUUZLPRBN-UHFFFAOYSA-N 1 1 333.396 0.733 20 30 ECEDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000329917721 437430873 /nfs/dbraw/zinc/43/08/73/437430873.db2.gz ZMMYJYJUZGXEEG-KGLIPLIRSA-N 1 1 346.497 0.249 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000337760871 437379055 /nfs/dbraw/zinc/37/90/55/437379055.db2.gz KDIFINHBGCHCRE-KBPBESRZSA-N 1 1 332.470 0.556 20 30 ECEDMO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC000337873126 437383009 /nfs/dbraw/zinc/38/30/09/437383009.db2.gz WQZDEZFBWUPJMV-AWEZNQCLSA-N 1 1 337.424 0.320 20 30 ECEDMO Cn1nc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1OC(F)F ZINC000330250602 437474519 /nfs/dbraw/zinc/47/45/19/437474519.db2.gz NAQLZZIYNCTRMP-VIFPVBQESA-N 1 1 332.355 0.593 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCSC2)CC1 ZINC000329977044 437439723 /nfs/dbraw/zinc/43/97/23/437439723.db2.gz FURNMYFRKYWFOS-CHWSQXEVSA-N 1 1 326.466 0.644 20 30 ECEDMO C#CCNC(=O)c1ccccc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000185505519 437440366 /nfs/dbraw/zinc/44/03/66/437440366.db2.gz MPTQDXIWDFBRLX-AWEZNQCLSA-N 1 1 328.416 0.624 20 30 ECEDMO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H](C)CC[NH+]1CCN(C)CC1)CC2 ZINC000329978114 437441274 /nfs/dbraw/zinc/44/12/74/437441274.db2.gz GYJNOJQDHMCRTK-DZGCQCFKSA-N 1 1 349.483 0.431 20 30 ECEDMO CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC000339155127 437444807 /nfs/dbraw/zinc/44/48/07/437444807.db2.gz OTEWORZKNXRNNW-QGZVFWFLSA-N 1 1 328.416 0.975 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000289887640 437448034 /nfs/dbraw/zinc/44/80/34/437448034.db2.gz SWRBQRCJPNBKGD-CYBMUJFWSA-N 1 1 336.417 0.047 20 30 ECEDMO C[C@](O)(CNC(=O)Nc1ccc(C2CC2)nn1)C[NH+]1CCOCC1 ZINC000330119380 437457713 /nfs/dbraw/zinc/45/77/13/437457713.db2.gz ZTUABHZDQZNCME-INIZCTEOSA-N 1 1 335.408 0.763 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)C1 ZINC000330129472 437458116 /nfs/dbraw/zinc/45/81/16/437458116.db2.gz OITCZQZRSQBAAD-ZOBUZTSGSA-N 1 1 341.452 0.891 20 30 ECEDMO C[NH+]1CCC(n2ccc([NH+]=C([O-])N[C@@H]3CCc4ncnn4C3)n2)CC1 ZINC000330193577 437466500 /nfs/dbraw/zinc/46/65/00/437466500.db2.gz OGYXJTOPWZKYFX-GFCCVEGCSA-N 1 1 344.423 1.082 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000330372056 437493866 /nfs/dbraw/zinc/49/38/66/437493866.db2.gz JQSXFOKDXBSBGP-RDBSUJKOSA-N 1 1 346.497 0.800 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000330377389 437496416 /nfs/dbraw/zinc/49/64/16/437496416.db2.gz FGKBSVWWENKWBB-ZIAGYGMSSA-N 1 1 332.470 0.365 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000330398874 437501014 /nfs/dbraw/zinc/50/10/14/437501014.db2.gz QRMFODTXQSKKBZ-QWHCGFSZSA-N 1 1 337.424 0.665 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000330398874 437501022 /nfs/dbraw/zinc/50/10/22/437501022.db2.gz QRMFODTXQSKKBZ-QWHCGFSZSA-N 1 1 337.424 0.665 20 30 ECEDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000187823325 437516679 /nfs/dbraw/zinc/51/66/79/437516679.db2.gz LLYUMFCJCFHPEG-ZDUSSCGKSA-N 1 1 344.415 0.800 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000187823325 437516681 /nfs/dbraw/zinc/51/66/81/437516681.db2.gz LLYUMFCJCFHPEG-ZDUSSCGKSA-N 1 1 344.415 0.800 20 30 ECEDMO COCC1(O)CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000330491019 437528038 /nfs/dbraw/zinc/52/80/38/437528038.db2.gz ONBGFCGPKAIUPR-UHFFFAOYSA-N 1 1 327.425 0.823 20 30 ECEDMO COCC1(O)CC[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000330494477 437529073 /nfs/dbraw/zinc/52/90/73/437529073.db2.gz UZXALKHQQDHLNY-SECBINFHSA-N 1 1 341.330 0.441 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000290928552 437543884 /nfs/dbraw/zinc/54/38/84/437543884.db2.gz YKOMQCNKMJUPIN-UHFFFAOYSA-N 1 1 327.428 0.879 20 30 ECEDMO C[C@H](O)C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000291286328 437577097 /nfs/dbraw/zinc/57/70/97/437577097.db2.gz QSZFSHORICDJDF-WMLDXEAASA-N 1 1 348.422 0.847 20 30 ECEDMO CC(=O)N(C)C1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000330864817 437637371 /nfs/dbraw/zinc/63/73/71/437637371.db2.gz UQHWCDXNUYCLEQ-CQSZACIVSA-N 1 1 340.468 0.811 20 30 ECEDMO C=CCCC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000340378093 437641962 /nfs/dbraw/zinc/64/19/62/437641962.db2.gz WXMAIYYHSGFMIP-CYBMUJFWSA-N 1 1 338.452 0.174 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000360891926 437652857 /nfs/dbraw/zinc/65/28/57/437652857.db2.gz UAYOKXOATSTUOP-QGZVFWFLSA-N 1 1 345.443 0.904 20 30 ECEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000354894913 437654637 /nfs/dbraw/zinc/65/46/37/437654637.db2.gz XLFDRWGZNHVYHS-CYBMUJFWSA-N 1 1 334.424 0.972 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292082750 437656165 /nfs/dbraw/zinc/65/61/65/437656165.db2.gz DSHFYYXUTAZXCK-JSGCOSHPSA-N 1 1 343.387 0.807 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292082750 437656171 /nfs/dbraw/zinc/65/61/71/437656171.db2.gz DSHFYYXUTAZXCK-JSGCOSHPSA-N 1 1 343.387 0.807 20 30 ECEDMO C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 ZINC000343787236 437658996 /nfs/dbraw/zinc/65/89/96/437658996.db2.gz DAHJBJBLFWNPMP-UHFFFAOYSA-N 1 1 344.419 0.826 20 30 ECEDMO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)OCC ZINC000361800132 437687526 /nfs/dbraw/zinc/68/75/26/437687526.db2.gz PVWWEAFEHOQOAL-IRXDYDNUSA-N 1 1 339.480 0.880 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000343902182 437687624 /nfs/dbraw/zinc/68/76/24/437687624.db2.gz BOTZOZLOEYDHCB-GDBMZVCRSA-N 1 1 348.491 0.885 20 30 ECEDMO CC(C)N1C[C@H](NC(=O)N2CCC([N@@H+](C)CCO)CC2)CC1=O ZINC000331112035 437692114 /nfs/dbraw/zinc/69/21/14/437692114.db2.gz JKNITJZGBOWKRP-CYBMUJFWSA-N 1 1 326.441 0.298 20 30 ECEDMO COCC1=CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000331126205 437693021 /nfs/dbraw/zinc/69/30/21/437693021.db2.gz QMGTVBSELVYGHC-UHFFFAOYSA-N 1 1 338.452 0.732 20 30 ECEDMO C[C@H](CC[NH+](C)C)[NH+]=C([O-])N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000331178823 437708418 /nfs/dbraw/zinc/70/84/18/437708418.db2.gz GJMAPMLVQOMMPE-VXGBXAGGSA-N 1 1 337.428 0.268 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000362933461 437762771 /nfs/dbraw/zinc/76/27/71/437762771.db2.gz TUTQWLAFNBMIRW-JKSUJKDBSA-N 1 1 327.384 0.586 20 30 ECEDMO CC(C)N1C[C@@H](NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000331225681 437721650 /nfs/dbraw/zinc/72/16/50/437721650.db2.gz XNCNUBSIIDINSR-ZNMIVQPWSA-N 1 1 340.468 0.951 20 30 ECEDMO CC(C)N1C[C@@H](NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000331225681 437721656 /nfs/dbraw/zinc/72/16/56/437721656.db2.gz XNCNUBSIIDINSR-ZNMIVQPWSA-N 1 1 340.468 0.951 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000340755343 437723683 /nfs/dbraw/zinc/72/36/83/437723683.db2.gz IEVUNRLVVUDATA-QWHCGFSZSA-N 1 1 327.450 0.985 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000355913553 437738790 /nfs/dbraw/zinc/73/87/90/437738790.db2.gz GLYCGIMCFHUNMZ-HNNXBMFYSA-N 1 1 343.362 1.542 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000355913553 437738795 /nfs/dbraw/zinc/73/87/95/437738795.db2.gz GLYCGIMCFHUNMZ-HNNXBMFYSA-N 1 1 343.362 1.542 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccnc(C#N)c2)CC1 ZINC000356007865 437741488 /nfs/dbraw/zinc/74/14/88/437741488.db2.gz ICMDSYGTTDPSMP-OAHLLOKOSA-N 1 1 327.388 0.332 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345195517 437783720 /nfs/dbraw/zinc/78/37/20/437783720.db2.gz ZKONSZWEQWGNCG-CQSZACIVSA-N 1 1 349.479 0.327 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000345748529 437797106 /nfs/dbraw/zinc/79/71/06/437797106.db2.gz NFFZOZFSLUEZCI-GJZGRUSLSA-N 1 1 337.468 0.099 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000364220625 437812968 /nfs/dbraw/zinc/81/29/68/437812968.db2.gz JGBYMTSNOFKSDA-DOTOQJQBSA-N 1 1 348.495 0.394 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC2(C[C@@H]2c2nnc(C)o2)CC1 ZINC000370807986 437841805 /nfs/dbraw/zinc/84/18/05/437841805.db2.gz GHWVUDRPYZQNGM-GFCCVEGCSA-N 1 1 333.392 0.959 20 30 ECEDMO CCCN(CC#N)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000347200441 437850464 /nfs/dbraw/zinc/85/04/64/437850464.db2.gz JABDJQJKQZECDE-HNNXBMFYSA-N 1 1 336.436 0.462 20 30 ECEDMO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000370856586 437850728 /nfs/dbraw/zinc/85/07/28/437850728.db2.gz RASGCTZVRLBFEF-JKSUJKDBSA-N 1 1 337.445 0.994 20 30 ECEDMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000370856586 437850734 /nfs/dbraw/zinc/85/07/34/437850734.db2.gz RASGCTZVRLBFEF-JKSUJKDBSA-N 1 1 337.445 0.994 20 30 ECEDMO COC(=O)[C@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)[C@@H]1C(=O)OC ZINC000357022047 437890098 /nfs/dbraw/zinc/89/00/98/437890098.db2.gz RZVMDXXFDVUPHH-JSGCOSHPSA-N 1 1 339.392 0.175 20 30 ECEDMO COC(=O)[C@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H]1C(=O)OC ZINC000357022047 437890105 /nfs/dbraw/zinc/89/01/05/437890105.db2.gz RZVMDXXFDVUPHH-JSGCOSHPSA-N 1 1 339.392 0.175 20 30 ECEDMO C=C1CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000341992037 437934445 /nfs/dbraw/zinc/93/44/45/437934445.db2.gz HVHOMORQGZNMMN-UHFFFAOYSA-N 1 1 331.482 0.815 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000371479231 437941873 /nfs/dbraw/zinc/94/18/73/437941873.db2.gz DZCCSCOYJFTVRM-BBRMVZONSA-N 1 1 348.451 0.404 20 30 ECEDMO COC(=O)[C@@H]1CC[N@@H+](CC#CCN2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000342117356 437971417 /nfs/dbraw/zinc/97/14/17/437971417.db2.gz AVFNSJMAVGQGFM-FPCVCCKLSA-N 1 1 336.432 0.757 20 30 ECEDMO COC(=O)[C@@H]1CC[N@H+](CC#CCN2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000342117356 437971419 /nfs/dbraw/zinc/97/14/19/437971419.db2.gz AVFNSJMAVGQGFM-FPCVCCKLSA-N 1 1 336.432 0.757 20 30 ECEDMO COC(=O)[C@@H]1CCN(CC#CC[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000342117356 437971421 /nfs/dbraw/zinc/97/14/21/437971421.db2.gz AVFNSJMAVGQGFM-FPCVCCKLSA-N 1 1 336.432 0.757 20 30 ECEDMO COC(=O)[C@@H]1CCN(CC#CC[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000342117356 437971424 /nfs/dbraw/zinc/97/14/24/437971424.db2.gz AVFNSJMAVGQGFM-FPCVCCKLSA-N 1 1 336.432 0.757 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)nn1 ZINC000424650566 437982004 /nfs/dbraw/zinc/98/20/04/437982004.db2.gz CCXBTFQXZIPKMY-UHFFFAOYSA-N 1 1 334.468 0.952 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)nn1 ZINC000424650566 437982011 /nfs/dbraw/zinc/98/20/11/437982011.db2.gz CCXBTFQXZIPKMY-UHFFFAOYSA-N 1 1 334.468 0.952 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000357667086 438039798 /nfs/dbraw/zinc/03/97/98/438039798.db2.gz ZZAOLJIYRKGUOS-AWEZNQCLSA-N 1 1 337.445 0.975 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426145769 438049581 /nfs/dbraw/zinc/04/95/81/438049581.db2.gz NJLGWZQAUVFUHS-NEPJUHHUSA-N 1 1 348.369 0.995 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366306008 438049977 /nfs/dbraw/zinc/04/99/77/438049977.db2.gz FFKUYBAHOVZNPM-UPJWGTAASA-N 1 1 332.404 0.312 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(CC(=O)OC)CC1 ZINC000371917389 438010804 /nfs/dbraw/zinc/01/08/04/438010804.db2.gz CMSDDRYZLFNWQZ-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO N#CC1(C(=O)N2CCN(CC[N@H+]3CCCOCC3)CC2)CCCC1 ZINC000372268989 438057518 /nfs/dbraw/zinc/05/75/18/438057518.db2.gz VKOPPEMRWSHZAX-UHFFFAOYSA-N 1 1 334.464 0.937 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372704881 438108196 /nfs/dbraw/zinc/10/81/96/438108196.db2.gz MEJWPYUJABCELB-FUHWJXTLSA-N 1 1 339.480 0.738 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000430391701 438110550 /nfs/dbraw/zinc/11/05/50/438110550.db2.gz GYTWNSFEGPQPMY-CVEARBPZSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000430391706 438111507 /nfs/dbraw/zinc/11/15/07/438111507.db2.gz GYTWNSFEGPQPMY-JKSUJKDBSA-N 1 1 335.448 0.638 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366763363 438123828 /nfs/dbraw/zinc/12/38/28/438123828.db2.gz ZLMKTVWRDOWSGK-KGLIPLIRSA-N 1 1 331.372 0.535 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366763363 438123834 /nfs/dbraw/zinc/12/38/34/438123834.db2.gz ZLMKTVWRDOWSGK-KGLIPLIRSA-N 1 1 331.372 0.535 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000366765027 438124171 /nfs/dbraw/zinc/12/41/71/438124171.db2.gz IBWKIGFTUOGGAL-CQSZACIVSA-N 1 1 344.415 0.983 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)nn1CCC#N ZINC000349000677 438124837 /nfs/dbraw/zinc/12/48/37/438124837.db2.gz GABBBGVOHVUJOU-KBPBESRZSA-N 1 1 344.419 0.787 20 30 ECEDMO CN(C(=O)NCC(=O)NCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000358281704 438193175 /nfs/dbraw/zinc/19/31/75/438193175.db2.gz VGXYNGVKMHIXRY-HNNXBMFYSA-N 1 1 329.404 0.542 20 30 ECEDMO N#CCNC(=O)CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000376245163 438273952 /nfs/dbraw/zinc/27/39/52/438273952.db2.gz YEUSZWUSPYAQFO-HNNXBMFYSA-N 1 1 329.404 0.590 20 30 ECEDMO C#CCC(CC#C)C(=O)N1CCN(C[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000376734357 438290134 /nfs/dbraw/zinc/29/01/34/438290134.db2.gz MBBXIAXISBKGIB-GOSISDBHSA-N 1 1 331.460 0.514 20 30 ECEDMO C#CCC(CC#C)C(=O)N1CCN(C[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000376734357 438290136 /nfs/dbraw/zinc/29/01/36/438290136.db2.gz MBBXIAXISBKGIB-GOSISDBHSA-N 1 1 331.460 0.514 20 30 ECEDMO CCN(CCC#N)C(=O)CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000376865119 438295876 /nfs/dbraw/zinc/29/58/76/438295876.db2.gz UFFHHEWBHUMRJB-MRXNPFEDSA-N 1 1 335.496 0.849 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000435104595 438344468 /nfs/dbraw/zinc/34/44/68/438344468.db2.gz RQHDOPNMFYWDAB-KRWDZBQOSA-N 1 1 347.419 0.236 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2n[nH]c(C)c2C#N)CC1=O ZINC000377244780 438306370 /nfs/dbraw/zinc/30/63/70/438306370.db2.gz VRRQPEXPRHUIRW-QWHCGFSZSA-N 1 1 344.419 0.861 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3noc(CC)n3)C[C@H]2C1 ZINC000377433766 438310748 /nfs/dbraw/zinc/31/07/48/438310748.db2.gz UONFLARSTVLDCL-MCIONIFRSA-N 1 1 331.420 0.134 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000369123020 438425504 /nfs/dbraw/zinc/42/55/04/438425504.db2.gz WWUBSCKCLRNFGL-ZIAGYGMSSA-N 1 1 330.454 0.119 20 30 ECEDMO Cn1cc(CNc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)cc1C#N ZINC000359705112 438481768 /nfs/dbraw/zinc/48/17/68/438481768.db2.gz HXLZQRSUXIVIAD-UHFFFAOYSA-N 1 1 341.419 0.479 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000420898514 438447682 /nfs/dbraw/zinc/44/76/82/438447682.db2.gz FHJGPCYUQGRORS-AWEZNQCLSA-N 1 1 338.452 0.515 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000369328756 438455023 /nfs/dbraw/zinc/45/50/23/438455023.db2.gz FODWZSQCGGUDJE-HNNXBMFYSA-N 1 1 349.479 0.553 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@@H](O)C3)CC2)o1 ZINC000408089914 438508057 /nfs/dbraw/zinc/50/80/57/438508057.db2.gz KSICAVZAEJJJJE-WFASDCNBSA-N 1 1 347.419 0.206 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000369867800 438522035 /nfs/dbraw/zinc/52/20/35/438522035.db2.gz MFEZUGJDDQTBAU-QWHCGFSZSA-N 1 1 332.495 0.446 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000370153492 438555055 /nfs/dbraw/zinc/55/50/55/438555055.db2.gz ZFOUWPZDIYGNJY-OKZBNKHCSA-N 1 1 347.507 0.705 20 30 ECEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(C)(C)CC#N ZINC000422479902 438577065 /nfs/dbraw/zinc/57/70/65/438577065.db2.gz LIGIMNHPEBTFMN-CYBMUJFWSA-N 1 1 338.452 0.346 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(C)(C)CC#N ZINC000422479902 438577067 /nfs/dbraw/zinc/57/70/67/438577067.db2.gz LIGIMNHPEBTFMN-CYBMUJFWSA-N 1 1 338.452 0.346 20 30 ECEDMO CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC[N@@H+]1CCOC ZINC000410926367 438668322 /nfs/dbraw/zinc/66/83/22/438668322.db2.gz PLTUFTAEPGUMBR-GJZGRUSLSA-N 1 1 338.452 0.564 20 30 ECEDMO CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC[N@H+]1CCOC ZINC000410926367 438668325 /nfs/dbraw/zinc/66/83/25/438668325.db2.gz PLTUFTAEPGUMBR-GJZGRUSLSA-N 1 1 338.452 0.564 20 30 ECEDMO C=CC[N@H+](C)CCN(CC)CCNS(=O)(=O)c1cnn(C)c1 ZINC000411643141 438679609 /nfs/dbraw/zinc/67/96/09/438679609.db2.gz ORKNPZJVAJQNBH-UHFFFAOYSA-N 1 1 329.470 0.138 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H](O)C(C)(C)C3)CC2)o1 ZINC000447873304 438679880 /nfs/dbraw/zinc/67/98/80/438679880.db2.gz HDLMNXQNUGUBLY-CQSZACIVSA-N 1 1 347.419 0.206 20 30 ECEDMO N#CC1(CS(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)CCCC1 ZINC000451673409 438706703 /nfs/dbraw/zinc/70/67/03/438706703.db2.gz VNDHJDDUJYCVAY-AWEZNQCLSA-N 1 1 329.466 0.837 20 30 ECEDMO COc1ccc(-c2nnn(C[C@@H](O)C[N@H+](C)CCC#N)n2)cc1OC ZINC000414104470 438699089 /nfs/dbraw/zinc/69/90/89/438699089.db2.gz FWCLGOZUBZPTFO-ZDUSSCGKSA-N 1 1 346.391 0.564 20 30 ECEDMO COc1ccc(-c2nnn(C[C@@H](O)C[N@@H+](C)CCC#N)n2)cc1OC ZINC000414104470 438699095 /nfs/dbraw/zinc/69/90/95/438699095.db2.gz FWCLGOZUBZPTFO-ZDUSSCGKSA-N 1 1 346.391 0.564 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000454449331 438717265 /nfs/dbraw/zinc/71/72/65/438717265.db2.gz XMBWTZDOOIVFAS-ZNMIVQPWSA-N 1 1 338.452 0.607 20 30 ECEDMO CN1CC[NH+](Cc2ccc(C(=O)N[C@]3(C#N)CCOC3)cc2)CC1 ZINC000547812474 438719530 /nfs/dbraw/zinc/71/95/30/438719530.db2.gz FDDDICUUGPAHPC-SFHVURJKSA-N 1 1 328.416 0.846 20 30 ECEDMO N#C[C@]1(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000548139328 438724424 /nfs/dbraw/zinc/72/44/24/438724424.db2.gz IHKSPSKOSHOBPH-GOSISDBHSA-N 1 1 328.416 0.603 20 30 ECEDMO CN(CC#CC[N@@H+](C)CCN1CCCC1=O)CCN1CCCC1=O ZINC000551386749 438737998 /nfs/dbraw/zinc/73/79/98/438737998.db2.gz BNNQZMNQIQTXNA-UHFFFAOYSA-N 1 1 334.464 0.098 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000451671696 438707248 /nfs/dbraw/zinc/70/72/48/438707248.db2.gz QVISNPZLLPUOBG-CQSZACIVSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000451671696 438707250 /nfs/dbraw/zinc/70/72/50/438707250.db2.gz QVISNPZLLPUOBG-CQSZACIVSA-N 1 1 341.408 0.822 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000451678507 438708387 /nfs/dbraw/zinc/70/83/87/438708387.db2.gz ILLMHDCNEQUUOJ-BBWFWOEESA-N 1 1 339.480 0.783 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)CNc1ccc(C#N)cn1 ZINC000494844214 438711123 /nfs/dbraw/zinc/71/11/23/438711123.db2.gz GPWRVCSJDQUICJ-UHFFFAOYSA-N 1 1 332.452 0.707 20 30 ECEDMO CN(CCCN(C)C(=O)CNc1ccc(C#N)cn1)CC[NH+](C)C ZINC000494844214 438711124 /nfs/dbraw/zinc/71/11/24/438711124.db2.gz GPWRVCSJDQUICJ-UHFFFAOYSA-N 1 1 332.452 0.707 20 30 ECEDMO C[C@]1(C#N)CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000595550058 438819603 /nfs/dbraw/zinc/81/96/03/438819603.db2.gz OHDQRPHFZBFZQA-DOTOQJQBSA-N 1 1 335.452 0.338 20 30 ECEDMO C[C@@]1(C#N)CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000595550060 438821527 /nfs/dbraw/zinc/82/15/27/438821527.db2.gz OHDQRPHFZBFZQA-RDJZCZTQSA-N 1 1 335.452 0.338 20 30 ECEDMO CC(=O)NCCCNc1cc(C)[nH+]c(NCCCNC(C)=O)c1C#N ZINC000589104975 438855529 /nfs/dbraw/zinc/85/55/29/438855529.db2.gz IQQWUOVJXCXUAE-UHFFFAOYSA-N 1 1 346.435 1.138 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2cc(C#N)cc(C)n2)CC1=O ZINC000601177845 438827891 /nfs/dbraw/zinc/82/78/91/438827891.db2.gz AOOKROPNFUTOIG-HNNXBMFYSA-N 1 1 331.420 0.853 20 30 ECEDMO N#CC1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000559295869 438834726 /nfs/dbraw/zinc/83/47/26/438834726.db2.gz DWCZTYVIJCQKSG-UHFFFAOYSA-N 1 1 343.435 0.592 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2(C#N)CCCC2)CC1=O ZINC000588878905 438846531 /nfs/dbraw/zinc/84/65/31/438846531.db2.gz BEFLLCDGVBTPSG-CQSZACIVSA-N 1 1 336.436 0.366 20 30 ECEDMO N#CCCN(C(=O)C[NH2+]C1(C(N)=O)CCOCC1)c1ccccc1 ZINC000595728030 438847940 /nfs/dbraw/zinc/84/79/40/438847940.db2.gz HXIQJOWRHYHICO-UHFFFAOYSA-N 1 1 330.388 0.557 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccccc1CC#N ZINC000601335550 438850080 /nfs/dbraw/zinc/85/00/80/438850080.db2.gz OTKSEIMUMWDZGF-UHFFFAOYSA-N 1 1 338.477 0.867 20 30 ECEDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000563115105 438857908 /nfs/dbraw/zinc/85/79/08/438857908.db2.gz KWCQHXPKTQBGCC-CQSZACIVSA-N 1 1 328.416 0.921 20 30 ECEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000564912782 438885774 /nfs/dbraw/zinc/88/57/74/438885774.db2.gz JJDHPOOPBDWYCS-INIZCTEOSA-N 1 1 337.445 0.893 20 30 ECEDMO C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000595991885 438910543 /nfs/dbraw/zinc/91/05/43/438910543.db2.gz TXDSCUJXJINQLH-WMLDXEAASA-N 1 1 327.388 0.317 20 30 ECEDMO CN1C(=O)NCC12CC[NH+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000579230449 438992344 /nfs/dbraw/zinc/99/23/44/438992344.db2.gz QIJKSRZVGJDXAY-UHFFFAOYSA-N 1 1 341.415 0.664 20 30 ECEDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000602029868 438999337 /nfs/dbraw/zinc/99/93/37/438999337.db2.gz KBJPYQHLXVVLNQ-OAHLLOKOSA-N 1 1 348.378 0.551 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](NC(=O)CC3(C#N)CCOCC3)C2)CC1 ZINC000597215927 439058321 /nfs/dbraw/zinc/05/83/21/439058321.db2.gz PVWXVEBSEAODLY-HNNXBMFYSA-N 1 1 334.464 0.982 20 30 ECEDMO C[NH+]1CCC(N2CC[C@H](NC(=O)CC3(C#N)CCOCC3)C2)CC1 ZINC000597215927 439058325 /nfs/dbraw/zinc/05/83/25/439058325.db2.gz PVWXVEBSEAODLY-HNNXBMFYSA-N 1 1 334.464 0.982 20 30 ECEDMO N#CCCCCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000597256198 439063789 /nfs/dbraw/zinc/06/37/89/439063789.db2.gz MIWVDFSMNSMDDW-HUUCEWRRSA-N 1 1 348.447 0.556 20 30 ECEDMO N#CCCN1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000602207718 439039891 /nfs/dbraw/zinc/03/98/91/439039891.db2.gz LCUVOLYHPZXVLI-GOSISDBHSA-N 1 1 342.443 0.945 20 30 ECEDMO N#CCCN1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000602207718 439039897 /nfs/dbraw/zinc/03/98/97/439039897.db2.gz LCUVOLYHPZXVLI-GOSISDBHSA-N 1 1 342.443 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000520650488 439091043 /nfs/dbraw/zinc/09/10/43/439091043.db2.gz YIEZGDAISLZUSR-ZFWWWQNUSA-N 1 1 341.477 0.567 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000520650488 439091048 /nfs/dbraw/zinc/09/10/48/439091048.db2.gz YIEZGDAISLZUSR-ZFWWWQNUSA-N 1 1 341.477 0.567 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)CC2(C#N)CCOCC2)[C@H](C)C1 ZINC000597478440 439107254 /nfs/dbraw/zinc/10/72/54/439107254.db2.gz RJKIGHLZTQSLNS-CQSZACIVSA-N 1 1 337.420 0.793 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)CC2(C#N)CCOCC2)[C@H](C)C1 ZINC000597478440 439107257 /nfs/dbraw/zinc/10/72/57/439107257.db2.gz RJKIGHLZTQSLNS-CQSZACIVSA-N 1 1 337.420 0.793 20 30 ECEDMO N#CCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000566494079 439065168 /nfs/dbraw/zinc/06/51/68/439065168.db2.gz HRVXWZUILOHGMY-HOTGVXAUSA-N 1 1 337.445 0.702 20 30 ECEDMO C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@H](C#N)C1 ZINC000597284158 439072421 /nfs/dbraw/zinc/07/24/21/439072421.db2.gz NEFZMYZWWZGZLF-KFWWJZLASA-N 1 1 344.419 0.729 20 30 ECEDMO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)S(C)(=O)=O ZINC000591749805 439080416 /nfs/dbraw/zinc/08/04/16/439080416.db2.gz RWDFPQWVAXIHBL-UHFFFAOYSA-N 1 1 345.446 0.140 20 30 ECEDMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)cn1 ZINC000602944542 439166863 /nfs/dbraw/zinc/16/68/63/439166863.db2.gz UFORJSVZTWFBHV-CABCVRRESA-N 1 1 333.436 0.915 20 30 ECEDMO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149089 439168220 /nfs/dbraw/zinc/16/82/20/439168220.db2.gz IPCUSBFXVVPXRB-UGSOOPFHSA-N 1 1 345.399 0.828 20 30 ECEDMO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149089 439168222 /nfs/dbraw/zinc/16/82/22/439168222.db2.gz IPCUSBFXVVPXRB-UGSOOPFHSA-N 1 1 345.399 0.828 20 30 ECEDMO C[N@@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](CO)C1 ZINC000602906939 439158297 /nfs/dbraw/zinc/15/82/97/439158297.db2.gz VICQYQGLLRTCET-IRXDYDNUSA-N 1 1 328.416 0.662 20 30 ECEDMO C[N@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](CO)C1 ZINC000602906939 439158302 /nfs/dbraw/zinc/15/83/02/439158302.db2.gz VICQYQGLLRTCET-IRXDYDNUSA-N 1 1 328.416 0.662 20 30 ECEDMO COc1cc(C#N)ccc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000581022850 439160535 /nfs/dbraw/zinc/16/05/35/439160535.db2.gz LHWRQNYDKFLJCY-UHFFFAOYSA-N 1 1 339.417 0.302 20 30 ECEDMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@](O)(CC#N)C3)CC2)c1 ZINC000592147609 439165715 /nfs/dbraw/zinc/16/57/15/439165715.db2.gz MQIVWRZQESMWPM-LJQANCHMSA-N 1 1 342.443 0.994 20 30 ECEDMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@](O)(CC#N)C3)CC2)c1 ZINC000592147609 439165718 /nfs/dbraw/zinc/16/57/18/439165718.db2.gz MQIVWRZQESMWPM-LJQANCHMSA-N 1 1 342.443 0.994 20 30 ECEDMO CCCN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@H]1CC[N@@H+](C)C1 ZINC000592300333 439195178 /nfs/dbraw/zinc/19/51/78/439195178.db2.gz LZDFVWLPSJBUIJ-ZDUSSCGKSA-N 1 1 332.408 0.678 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(-c3cncc(C#N)c3)nn2)CC1 ZINC000603184421 439204909 /nfs/dbraw/zinc/20/49/09/439204909.db2.gz UYQVAXHFWLSLPC-CYBMUJFWSA-N 1 1 339.403 0.937 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000603208005 439210125 /nfs/dbraw/zinc/21/01/25/439210125.db2.gz HHAHZEGBNIHWST-ZFWWWQNUSA-N 1 1 334.424 0.243 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000603208005 439210131 /nfs/dbraw/zinc/21/01/31/439210131.db2.gz HHAHZEGBNIHWST-ZFWWWQNUSA-N 1 1 334.424 0.243 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000490617553 439280477 /nfs/dbraw/zinc/28/04/77/439280477.db2.gz QSRWHNYPAYMFLG-AWEZNQCLSA-N 1 1 336.413 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000490617553 439280483 /nfs/dbraw/zinc/28/04/83/439280483.db2.gz QSRWHNYPAYMFLG-AWEZNQCLSA-N 1 1 336.413 0.849 20 30 ECEDMO C=CCCCCCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000568252119 439230608 /nfs/dbraw/zinc/23/06/08/439230608.db2.gz HOVVXWPNRIRRSQ-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO CCN1CC[N@@H+](C[C@@H]2CNc3c(C#N)cnn3C2)C[C@H]1c1ncc[nH]1 ZINC000592510257 439242872 /nfs/dbraw/zinc/24/28/72/439242872.db2.gz DMVCGNKTGYSSAS-ZFWWWQNUSA-N 1 1 340.435 0.898 20 30 ECEDMO C[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1CC(C)(C)O ZINC000592509014 439243178 /nfs/dbraw/zinc/24/31/78/439243178.db2.gz DYBSVFQUXRFUBW-CYBMUJFWSA-N 1 1 328.420 0.878 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)c(F)c1 ZINC000568510770 439253144 /nfs/dbraw/zinc/25/31/44/439253144.db2.gz AJQBXYXJKWYTAB-OLZOCXBDSA-N 1 1 325.365 0.449 20 30 ECEDMO Cc1oc(C#N)cc1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603412695 439255257 /nfs/dbraw/zinc/25/52/57/439255257.db2.gz SGQPOOCDYOLHFL-HNNXBMFYSA-N 1 1 346.431 0.986 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000528384973 439330120 /nfs/dbraw/zinc/33/01/20/439330120.db2.gz ULUQEVGNKLXKQT-OAHLLOKOSA-N 1 1 342.395 0.759 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528405020 439332795 /nfs/dbraw/zinc/33/27/95/439332795.db2.gz PWGRBRNSTFVCPD-ZIAGYGMSSA-N 1 1 331.420 0.525 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528405020 439332797 /nfs/dbraw/zinc/33/27/97/439332797.db2.gz PWGRBRNSTFVCPD-ZIAGYGMSSA-N 1 1 331.420 0.525 20 30 ECEDMO COCCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000598597096 439285577 /nfs/dbraw/zinc/28/55/77/439285577.db2.gz VHHPAGJRQGMZAX-KGLIPLIRSA-N 1 1 332.466 0.813 20 30 ECEDMO CN(C[C@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1)S(C)(=O)=O ZINC000598617814 439288873 /nfs/dbraw/zinc/28/88/73/439288873.db2.gz VVMFTUMDQOMOJY-ZIAGYGMSSA-N 1 1 331.482 0.891 20 30 ECEDMO CN(C)S(=O)(=O)N1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598618361 439289825 /nfs/dbraw/zinc/28/98/25/439289825.db2.gz WRCHUCSCOCRIMM-ZDUSSCGKSA-N 1 1 332.470 0.101 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000490851284 439302576 /nfs/dbraw/zinc/30/25/76/439302576.db2.gz GIWHUKOSTVMHJS-GXTWGEPZSA-N 1 1 333.354 0.151 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000490851284 439302581 /nfs/dbraw/zinc/30/25/81/439302581.db2.gz GIWHUKOSTVMHJS-GXTWGEPZSA-N 1 1 333.354 0.151 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000490915966 439311568 /nfs/dbraw/zinc/31/15/68/439311568.db2.gz QXDADLAWWSHTLS-UONOGXRCSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000490915966 439311573 /nfs/dbraw/zinc/31/15/73/439311573.db2.gz QXDADLAWWSHTLS-UONOGXRCSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490915750 439311995 /nfs/dbraw/zinc/31/19/95/439311995.db2.gz OUOBHSVHWLSEOD-GJZGRUSLSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490915750 439311999 /nfs/dbraw/zinc/31/19/99/439311999.db2.gz OUOBHSVHWLSEOD-GJZGRUSLSA-N 1 1 341.477 0.550 20 30 ECEDMO C#C[C@H](NC(=O)NCCCCN1CC[NH+](CCO)CC1)C(C)(C)C ZINC000491305408 439364627 /nfs/dbraw/zinc/36/46/27/439364627.db2.gz IVTUQSUCUGVQPR-INIZCTEOSA-N 1 1 338.496 0.724 20 30 ECEDMO C[C@]1(CO)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]1(C)CO ZINC000528746566 439365554 /nfs/dbraw/zinc/36/55/54/439365554.db2.gz CNZGMGDJRFINPD-HDICACEKSA-N 1 1 331.416 0.487 20 30 ECEDMO C[C@]1(CO)C[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]1(C)CO ZINC000528746566 439365557 /nfs/dbraw/zinc/36/55/57/439365557.db2.gz CNZGMGDJRFINPD-HDICACEKSA-N 1 1 331.416 0.487 20 30 ECEDMO C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)[C@@H](C)C[N@H+]1CCO ZINC000528524954 439344145 /nfs/dbraw/zinc/34/41/45/439344145.db2.gz SBJJVJMHAMHCLS-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)[C@@H](C)CN1CCO ZINC000528524954 439344151 /nfs/dbraw/zinc/34/41/51/439344151.db2.gz SBJJVJMHAMHCLS-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)[C@@H](C)CN1CCO ZINC000528524954 439344158 /nfs/dbraw/zinc/34/41/58/439344158.db2.gz SBJJVJMHAMHCLS-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO COCCOCC[NH+]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000593114582 439346707 /nfs/dbraw/zinc/34/67/07/439346707.db2.gz BSTGHHVTNQSEQL-KRWDZBQOSA-N 1 1 346.431 0.365 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)CC[C@H]1CCCCN1C(C)=O ZINC000491203453 439348742 /nfs/dbraw/zinc/34/87/42/439348742.db2.gz WHMMCVLFBAANQP-MRXNPFEDSA-N 1 1 343.493 0.652 20 30 ECEDMO N#Cc1ccc(OC2CCN(c3nc(N)nc(N)[nH+]3)CC2)c(F)c1 ZINC000599081306 439352376 /nfs/dbraw/zinc/35/23/76/439352376.db2.gz LPWWXHFJMCSAAQ-UHFFFAOYSA-N 1 1 329.339 0.755 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000491546415 439404272 /nfs/dbraw/zinc/40/42/72/439404272.db2.gz VSVDPEGUSYFQOY-INIZCTEOSA-N 1 1 343.431 0.831 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1nc(S(C)(=O)=O)ccc1Cl ZINC000491555673 439406308 /nfs/dbraw/zinc/40/63/08/439406308.db2.gz SNYAINVLHSACFV-UHFFFAOYSA-N 1 1 343.836 0.823 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1nc(S(C)(=O)=O)ccc1Cl ZINC000491555673 439406310 /nfs/dbraw/zinc/40/63/10/439406310.db2.gz SNYAINVLHSACFV-UHFFFAOYSA-N 1 1 343.836 0.823 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](OCc3ccncc3)C2)CC1 ZINC000491676220 439426003 /nfs/dbraw/zinc/42/60/03/439426003.db2.gz YWSJGUSQPFOCEV-SFHVURJKSA-N 1 1 342.443 0.450 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)nn1 ZINC000583200866 439432128 /nfs/dbraw/zinc/43/21/28/439432128.db2.gz ZRMKMJAUIPHXSR-ZDUSSCGKSA-N 1 1 336.440 0.451 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491714643 439433264 /nfs/dbraw/zinc/43/32/64/439433264.db2.gz GZLCFGBZOXOCSK-GXTWGEPZSA-N 1 1 333.354 0.009 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491714643 439433267 /nfs/dbraw/zinc/43/32/67/439433267.db2.gz GZLCFGBZOXOCSK-GXTWGEPZSA-N 1 1 333.354 0.009 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000491730910 439436495 /nfs/dbraw/zinc/43/64/95/439436495.db2.gz FOVXBLOEGICOPW-OAHLLOKOSA-N 1 1 328.416 0.742 20 30 ECEDMO CN1CCN(CCC[N@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000599337673 439440383 /nfs/dbraw/zinc/44/03/83/439440383.db2.gz DQEQXTADBMYERK-GOSISDBHSA-N 1 1 346.475 0.867 20 30 ECEDMO CN1CCN(CCC[N@@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000599337673 439440387 /nfs/dbraw/zinc/44/03/87/439440387.db2.gz DQEQXTADBMYERK-GOSISDBHSA-N 1 1 346.475 0.867 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000570740892 439447240 /nfs/dbraw/zinc/44/72/40/439447240.db2.gz RXWDZGFNFFAHTF-KGLIPLIRSA-N 1 1 344.481 0.508 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000570740892 439447246 /nfs/dbraw/zinc/44/72/46/439447246.db2.gz RXWDZGFNFFAHTF-KGLIPLIRSA-N 1 1 344.481 0.508 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(-n2nnnc2C)cc1F ZINC000491779014 439447856 /nfs/dbraw/zinc/44/78/56/439447856.db2.gz ZBBDYOZYWAAADZ-UHFFFAOYSA-N 1 1 330.367 0.795 20 30 ECEDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000570791518 439451694 /nfs/dbraw/zinc/45/16/94/439451694.db2.gz NTHVYWSFRRDMCJ-AWEZNQCLSA-N 1 1 346.435 0.986 20 30 ECEDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000570791518 439451698 /nfs/dbraw/zinc/45/16/98/439451698.db2.gz NTHVYWSFRRDMCJ-AWEZNQCLSA-N 1 1 346.435 0.986 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCN3CCCS3(=O)=O)C2)nc1 ZINC000583417787 439462467 /nfs/dbraw/zinc/46/24/67/439462467.db2.gz URUPAXZCROAIGF-CQSZACIVSA-N 1 1 336.417 0.442 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CCN3CCCS3(=O)=O)C2)nc1 ZINC000583417787 439462473 /nfs/dbraw/zinc/46/24/73/439462473.db2.gz URUPAXZCROAIGF-CQSZACIVSA-N 1 1 336.417 0.442 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000599569853 439510040 /nfs/dbraw/zinc/51/00/40/439510040.db2.gz PQCRMWSQMZZZHT-CXAGYDPISA-N 1 1 337.420 0.981 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000599569853 439510047 /nfs/dbraw/zinc/51/00/47/439510047.db2.gz PQCRMWSQMZZZHT-CXAGYDPISA-N 1 1 337.420 0.981 20 30 ECEDMO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599433310 439468653 /nfs/dbraw/zinc/46/86/53/439468653.db2.gz QMLKLKIYTBKBJY-CABCVRRESA-N 1 1 344.477 0.957 20 30 ECEDMO CS(=O)(=O)C[C@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599433310 439468657 /nfs/dbraw/zinc/46/86/57/439468657.db2.gz QMLKLKIYTBKBJY-CABCVRRESA-N 1 1 344.477 0.957 20 30 ECEDMO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000593844151 439476283 /nfs/dbraw/zinc/47/62/83/439476283.db2.gz JQHJDEJXVNLYAN-GFCCVEGCSA-N 1 1 326.404 1.317 20 30 ECEDMO N#CCC(=O)N1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000571175958 439481353 /nfs/dbraw/zinc/48/13/53/439481353.db2.gz PJLVEHDFKBYCLO-UHFFFAOYSA-N 1 1 343.387 0.783 20 30 ECEDMO N#CCCN(C(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000594025612 439510614 /nfs/dbraw/zinc/51/06/14/439510614.db2.gz POKSVRSYRRFXMY-DLBZAZTESA-N 1 1 328.416 0.684 20 30 ECEDMO CC(C)(CC#N)CS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000599395402 439456605 /nfs/dbraw/zinc/45/66/05/439456605.db2.gz ITXPMWJJBXSVQH-LBPRGKRZSA-N 1 1 330.454 0.185 20 30 ECEDMO CC(C)(CC#N)CS(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000599395402 439456612 /nfs/dbraw/zinc/45/66/12/439456612.db2.gz ITXPMWJJBXSVQH-LBPRGKRZSA-N 1 1 330.454 0.185 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000491815754 439458294 /nfs/dbraw/zinc/45/82/94/439458294.db2.gz LOAYYWSSVHUDEH-DLBZAZTESA-N 1 1 336.480 0.884 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)n(CCC#N)n1 ZINC000532999503 439521674 /nfs/dbraw/zinc/52/16/74/439521674.db2.gz JBLHTPLNLXZOQA-CYBMUJFWSA-N 1 1 346.435 0.892 20 30 ECEDMO COC(C)(C)C[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000533022596 439522613 /nfs/dbraw/zinc/52/26/13/439522613.db2.gz YOELSJUYBSKEJK-UHFFFAOYSA-N 1 1 349.435 0.860 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1 ZINC000599684854 439536350 /nfs/dbraw/zinc/53/63/50/439536350.db2.gz SHDVWHIZWRMGJZ-LISAXSMJSA-N 1 1 334.464 0.524 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ncc1C#N ZINC000594295827 439537655 /nfs/dbraw/zinc/53/76/55/439537655.db2.gz WJYXRYNQFDPOIH-JSGCOSHPSA-N 1 1 329.404 0.999 20 30 ECEDMO CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)N(C)CCC#N)C2)CC1 ZINC000538954090 439546708 /nfs/dbraw/zinc/54/67/08/439546708.db2.gz OQNZLGWLMRFNEL-KRWDZBQOSA-N 1 1 335.496 0.849 20 30 ECEDMO CC(C)N1CCN([C@H]2CC[N@H+](CCC(=O)N(C)CCC#N)C2)CC1 ZINC000538954090 439546713 /nfs/dbraw/zinc/54/67/13/439546713.db2.gz OQNZLGWLMRFNEL-KRWDZBQOSA-N 1 1 335.496 0.849 20 30 ECEDMO CC(C)N1CCN([C@H]2CC[N@@H+](CCC(=O)N(C)CCC#N)C2)CC1 ZINC000538954090 439546719 /nfs/dbraw/zinc/54/67/19/439546719.db2.gz OQNZLGWLMRFNEL-KRWDZBQOSA-N 1 1 335.496 0.849 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594391696 439551939 /nfs/dbraw/zinc/55/19/39/439551939.db2.gz CBXPYAZMZWGOBH-UONOGXRCSA-N 1 1 344.415 0.486 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000594392451 439553846 /nfs/dbraw/zinc/55/38/46/439553846.db2.gz GTDSDIVELCNQHW-RCCFBDPRSA-N 1 1 340.427 0.804 20 30 ECEDMO CN1CCN(c2ncccc2CNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594440031 439559989 /nfs/dbraw/zinc/55/99/89/439559989.db2.gz XYZPHOXFNIWIAW-INIZCTEOSA-N 1 1 344.463 0.861 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCCS2(=O)=O)CC1 ZINC000543178737 439560519 /nfs/dbraw/zinc/56/05/19/439560519.db2.gz GLKURBCVTVLWFD-CQSZACIVSA-N 1 1 329.466 0.903 20 30 ECEDMO C[NH+]1CCN(CCCCNC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000609847879 439588834 /nfs/dbraw/zinc/58/88/34/439588834.db2.gz SJERKNKCYXOYAN-UHFFFAOYSA-N 1 1 333.440 0.946 20 30 ECEDMO N#CCCN(CCC#N)C(=O)CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000610002586 439596429 /nfs/dbraw/zinc/59/64/29/439596429.db2.gz VIXTUVQPJFYLQC-KRWDZBQOSA-N 1 1 347.463 0.829 20 30 ECEDMO N#CCC(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000573503204 439649974 /nfs/dbraw/zinc/64/99/74/439649974.db2.gz KOLUCYILJSUWCL-UHFFFAOYSA-N 1 1 325.372 0.945 20 30 ECEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1 ZINC000595173159 439668455 /nfs/dbraw/zinc/66/84/55/439668455.db2.gz WSNGMNNDHPECNG-QAPCUYQASA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1cccc(C#N)c1 ZINC000587699684 439668799 /nfs/dbraw/zinc/66/87/99/439668799.db2.gz AVWYPCNMWFHSEF-CJNGLKHVSA-N 1 1 343.431 0.097 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1 ZINC000587728060 439669840 /nfs/dbraw/zinc/66/98/40/439669840.db2.gz FRKNSEHKWURKOC-CJNGLKHVSA-N 1 1 344.415 0.572 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)c1C#N ZINC000600826541 439706508 /nfs/dbraw/zinc/70/65/08/439706508.db2.gz PESIZJWMDIHQMG-UHFFFAOYSA-N 1 1 330.436 0.733 20 30 ECEDMO N#Cc1cccc(-n2ccc(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)n2)c1 ZINC000600535956 439675277 /nfs/dbraw/zinc/67/52/77/439675277.db2.gz UCFOTTTXPMFKDQ-OAHLLOKOSA-N 1 1 325.372 0.540 20 30 ECEDMO N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)CN3CCCC3)CC2)nc1 ZINC000600722178 439695880 /nfs/dbraw/zinc/69/58/80/439695880.db2.gz GTBFJIQNVDDBIA-QGZVFWFLSA-N 1 1 329.448 0.968 20 30 ECEDMO CN1CC(=O)N(CC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000595502133 439735087 /nfs/dbraw/zinc/73/50/87/439735087.db2.gz PSJXTOZXDRITDH-CYBMUJFWSA-N 1 1 329.360 0.300 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614956904 439791078 /nfs/dbraw/zinc/79/10/78/439791078.db2.gz GTQLIFLHNFDYCM-UHFFFAOYSA-N 1 1 344.415 0.720 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614956904 439791079 /nfs/dbraw/zinc/79/10/79/439791079.db2.gz GTQLIFLHNFDYCM-UHFFFAOYSA-N 1 1 344.415 0.720 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCNC[C@@H]2C(C)C)CC1 ZINC000627386024 440169651 /nfs/dbraw/zinc/16/96/51/440169651.db2.gz CJUFJIBVLIJDKA-MRXNPFEDSA-N 1 1 336.480 0.600 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000619057007 440202937 /nfs/dbraw/zinc/20/29/37/440202937.db2.gz AVCKOEWQZHOQLN-QAPCUYQASA-N 1 1 329.400 0.704 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)nn1 ZINC000648779762 440327140 /nfs/dbraw/zinc/32/71/40/440327140.db2.gz DRBJRUUYFYKAQJ-OAHLLOKOSA-N 1 1 332.452 0.705 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nn1 ZINC000648779762 440327145 /nfs/dbraw/zinc/32/71/45/440327145.db2.gz DRBJRUUYFYKAQJ-OAHLLOKOSA-N 1 1 332.452 0.705 20 30 ECEDMO C=CCn1cc(CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)nn1 ZINC000644997038 440727134 /nfs/dbraw/zinc/72/71/34/440727134.db2.gz HSTOSDGECCYMQM-UHFFFAOYSA-N 1 1 335.456 0.289 20 30 ECEDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000639846951 440803516 /nfs/dbraw/zinc/80/35/16/440803516.db2.gz DOAKKBQYYHNHLS-ACJLOTCBSA-N 1 1 328.368 0.104 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000645243426 440768081 /nfs/dbraw/zinc/76/80/81/440768081.db2.gz KLSWBQRCETTZEN-GJZGRUSLSA-N 1 1 338.452 0.003 20 30 ECEDMO C=CCOCCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000661304870 440829103 /nfs/dbraw/zinc/82/91/03/440829103.db2.gz IJTPFRLVCXNKEM-UHFFFAOYSA-N 1 1 341.452 0.760 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)n1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000640919790 441026059 /nfs/dbraw/zinc/02/60/59/441026059.db2.gz GKQOACUBQRUSNR-ZBFHGGJFSA-N 1 1 333.436 0.996 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)n1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000640919790 441026063 /nfs/dbraw/zinc/02/60/63/441026063.db2.gz GKQOACUBQRUSNR-ZBFHGGJFSA-N 1 1 333.436 0.996 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC001041737171 782087178 /nfs/dbraw/zinc/08/71/78/782087178.db2.gz FEOMUZFLQRQNMG-SFHVURJKSA-N 1 1 339.399 0.996 20 30 ECEDMO C[C@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000545273229 322107966 /nfs/dbraw/zinc/10/79/66/322107966.db2.gz RSFYLSNKLHDBNM-CYBMUJFWSA-N 1 1 333.440 0.195 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001078021956 782155087 /nfs/dbraw/zinc/15/50/87/782155087.db2.gz PJQNNUBZAFPZDG-HZPDHXFCSA-N 1 1 331.416 0.739 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001078021956 782155092 /nfs/dbraw/zinc/15/50/92/782155092.db2.gz PJQNNUBZAFPZDG-HZPDHXFCSA-N 1 1 331.416 0.739 20 30 ECEDMO Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c1C#N ZINC000331537079 518195653 /nfs/dbraw/zinc/19/56/53/518195653.db2.gz XRLLALRLXFMXSO-BLLLJJGKSA-N 1 1 341.419 0.838 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000265175009 534861848 /nfs/dbraw/zinc/86/18/48/534861848.db2.gz FMBJRRNKSSSKPA-ZBFHGGJFSA-N 1 1 349.431 0.896 20 30 ECEDMO CCOCC[NH+]1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000264278189 535603984 /nfs/dbraw/zinc/60/39/84/535603984.db2.gz FKLSLKOAGYPWDM-UHFFFAOYSA-N 1 1 330.432 0.829 20 30 ECEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1COCCO1 ZINC000329128573 546014648 /nfs/dbraw/zinc/01/46/48/546014648.db2.gz VMAFXCNJBDEYCA-HNNXBMFYSA-N 1 1 328.457 0.274 20 30 ECEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1COCCO1 ZINC000329128573 546014650 /nfs/dbraw/zinc/01/46/50/546014650.db2.gz VMAFXCNJBDEYCA-HNNXBMFYSA-N 1 1 328.457 0.274 20 30 ECEDMO CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329396008 546022506 /nfs/dbraw/zinc/02/25/06/546022506.db2.gz XGDISINUAYPLLH-QWHCGFSZSA-N 1 1 328.482 0.890 20 30 ECEDMO Cc1noc([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)n1 ZINC000329418774 546024444 /nfs/dbraw/zinc/02/44/44/546024444.db2.gz DTZYZIMZAALCAJ-ZIAGYGMSSA-N 1 1 336.440 0.717 20 30 ECEDMO C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000624989789 547002084 /nfs/dbraw/zinc/00/20/84/547002084.db2.gz ATNWTBILJMMOGU-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000624989789 547002086 /nfs/dbraw/zinc/00/20/86/547002086.db2.gz ATNWTBILJMMOGU-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000625213647 547043665 /nfs/dbraw/zinc/04/36/65/547043665.db2.gz NQNXXSISXBDFHX-KGLIPLIRSA-N 1 1 337.379 0.639 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000668691946 547727629 /nfs/dbraw/zinc/72/76/29/547727629.db2.gz WCJRURDCEPTCCA-QGZVFWFLSA-N 1 1 338.496 0.847 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000668728340 547737079 /nfs/dbraw/zinc/73/70/79/547737079.db2.gz OWZYFGILSMIUDO-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)C1CCOCC1 ZINC000755879374 579440371 /nfs/dbraw/zinc/44/03/71/579440371.db2.gz GBEYNKJOAYOPBK-UHFFFAOYSA-N 1 1 328.482 0.975 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@H]2C2CC2)c1=O ZINC000728562145 578289649 /nfs/dbraw/zinc/28/96/49/578289649.db2.gz GONOQBSIRMFHKH-AWEZNQCLSA-N 1 1 332.404 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000730106064 578303414 /nfs/dbraw/zinc/30/34/14/578303414.db2.gz WEMBJNZYKXSDMK-INIZCTEOSA-N 1 1 349.456 0.651 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000730106064 578303415 /nfs/dbraw/zinc/30/34/15/578303415.db2.gz WEMBJNZYKXSDMK-INIZCTEOSA-N 1 1 349.456 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000730275037 578304320 /nfs/dbraw/zinc/30/43/20/578304320.db2.gz PRLWZTQLXBCCSK-AWEZNQCLSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000730275037 578304321 /nfs/dbraw/zinc/30/43/21/578304321.db2.gz PRLWZTQLXBCCSK-AWEZNQCLSA-N 1 1 327.450 0.014 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000732448034 578325505 /nfs/dbraw/zinc/32/55/05/578325505.db2.gz MTFMLDPELRAAIN-MMEFHMBZSA-N 1 1 347.419 0.439 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000732467604 578326069 /nfs/dbraw/zinc/32/60/69/578326069.db2.gz WAECXXVOALFAHG-PVEMMZBWSA-N 1 1 347.419 0.296 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000732563225 578327567 /nfs/dbraw/zinc/32/75/67/578327567.db2.gz KIABQSCBNNEBMK-GJZGRUSLSA-N 1 1 345.447 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000732563225 578327568 /nfs/dbraw/zinc/32/75/68/578327568.db2.gz KIABQSCBNNEBMK-GJZGRUSLSA-N 1 1 345.447 0.935 20 30 ECEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000734669199 578365976 /nfs/dbraw/zinc/36/59/76/578365976.db2.gz QTSYKEGKRPTVGK-PVEMMZBWSA-N 1 1 349.435 0.496 20 30 ECEDMO Cc1[nH+]ccn1-c1ncccc1CNS(=O)(=O)N(C)CCC#N ZINC000735921477 578400290 /nfs/dbraw/zinc/40/02/90/578400290.db2.gz KKAGGQJBNZQTTJ-UHFFFAOYSA-N 1 1 334.405 0.756 20 30 ECEDMO C#CCNC(=O)CN[C@@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1 ZINC000782494363 578726411 /nfs/dbraw/zinc/72/64/11/578726411.db2.gz SKXPSMJXSNITJK-IBGZPJMESA-N 1 1 343.427 0.533 20 30 ECEDMO C#CCNC(=O)CN[C@@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000782494363 578726413 /nfs/dbraw/zinc/72/64/13/578726413.db2.gz SKXPSMJXSNITJK-IBGZPJMESA-N 1 1 343.427 0.533 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000787598920 578810399 /nfs/dbraw/zinc/81/03/99/578810399.db2.gz PGODDSKTUBUWNS-OKILXGFUSA-N 1 1 327.384 0.657 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)CC[N@H+]1C ZINC000787759222 578815756 /nfs/dbraw/zinc/81/57/56/578815756.db2.gz MIZLIOSFWZUCCD-OCCSQVGLSA-N 1 1 344.419 0.080 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000788775013 578843693 /nfs/dbraw/zinc/84/36/93/578843693.db2.gz JSCGDJDOTDMJCB-SNVBAGLBSA-N 1 1 330.226 0.612 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)n1 ZINC000789122534 578848694 /nfs/dbraw/zinc/84/86/94/578848694.db2.gz KMNIFSHZIYHVBY-GDBMZVCRSA-N 1 1 333.436 0.767 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000789122534 578848695 /nfs/dbraw/zinc/84/86/95/578848695.db2.gz KMNIFSHZIYHVBY-GDBMZVCRSA-N 1 1 333.436 0.767 20 30 ECEDMO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000766352051 579086034 /nfs/dbraw/zinc/08/60/34/579086034.db2.gz RUFANBADOXHFDT-UHFFFAOYSA-N 1 1 347.415 0.940 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000771214107 579186599 /nfs/dbraw/zinc/18/65/99/579186599.db2.gz BSYXNMYLCPMNBQ-QWHCGFSZSA-N 1 1 346.362 0.615 20 30 ECEDMO Cc1[nH+]ccn1CCOC(=O)CNS(=O)(=O)c1ccccc1C#N ZINC000771894694 579197599 /nfs/dbraw/zinc/19/75/99/579197599.db2.gz XURGMPFAUNJAJQ-UHFFFAOYSA-N 1 1 348.384 0.585 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000773439797 579227169 /nfs/dbraw/zinc/22/71/69/579227169.db2.gz DUTJVIVKCCBHNP-CJNGLKHVSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000773439797 579227171 /nfs/dbraw/zinc/22/71/71/579227171.db2.gz DUTJVIVKCCBHNP-CJNGLKHVSA-N 1 1 345.399 0.472 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C)[C@H]1CCCO1 ZINC000773553855 579229807 /nfs/dbraw/zinc/22/98/07/579229807.db2.gz AWVSPTAREQOPCX-QLFBSQMISA-N 1 1 337.420 0.446 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C)[C@H]1CCCO1 ZINC000773553855 579229809 /nfs/dbraw/zinc/22/98/09/579229809.db2.gz AWVSPTAREQOPCX-QLFBSQMISA-N 1 1 337.420 0.446 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)[C@@H]1CCCO1 ZINC000775784107 579271096 /nfs/dbraw/zinc/27/10/96/579271096.db2.gz GXPHMYANNYHOLB-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO COC(=O)C1=C(C)O[C@H](C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)C1 ZINC000778221304 579307221 /nfs/dbraw/zinc/30/72/21/579307221.db2.gz BLLRZDWPTHDBJI-NSHDSACASA-N 1 1 333.392 0.964 20 30 ECEDMO COc1cc(C=NNc2cc[nH+]cc2)cc(OC)c1OCC(N)=O ZINC000779808996 579321183 /nfs/dbraw/zinc/32/11/83/579321183.db2.gz QUYRXGAYCGYZAP-UHFFFAOYSA-N 1 1 330.344 0.831 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)c1C#N ZINC000763787242 579565825 /nfs/dbraw/zinc/56/58/25/579565825.db2.gz ALOFAOGPVOLTNC-CYBMUJFWSA-N 1 1 329.404 0.818 20 30 ECEDMO CC[N@H+]1CCC(=NNC(=S)NCCN2CCOCC2)[C@H](C)C1 ZINC000741457550 579774696 /nfs/dbraw/zinc/77/46/96/579774696.db2.gz MVFSUHJDQCDMJY-CYBMUJFWSA-N 1 1 327.498 0.500 20 30 ECEDMO C#CCN(CC#CC)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000745828329 579828023 /nfs/dbraw/zinc/82/80/23/579828023.db2.gz RZCIAQRQDFWQOY-KRWDZBQOSA-N 1 1 332.448 0.061 20 30 ECEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746422139 579838923 /nfs/dbraw/zinc/83/89/23/579838923.db2.gz OHEAIDZWNQPZMV-CQSZACIVSA-N 1 1 344.419 0.535 20 30 ECEDMO C#Cc1cccc(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000837501852 588953731 /nfs/dbraw/zinc/95/37/31/588953731.db2.gz YBIZDTQDHVFHCV-UHFFFAOYSA-N 1 1 328.416 0.631 20 30 ECEDMO C#CC[C@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837944050 588966767 /nfs/dbraw/zinc/96/67/67/588966767.db2.gz ZNEIQELRASPPLL-SJORKVTESA-N 1 1 344.411 0.959 20 30 ECEDMO C#CC[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837944050 588966770 /nfs/dbraw/zinc/96/67/70/588966770.db2.gz ZNEIQELRASPPLL-SJORKVTESA-N 1 1 344.411 0.959 20 30 ECEDMO C#CC[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)C(=O)OC ZINC000837944861 588966785 /nfs/dbraw/zinc/96/67/85/588966785.db2.gz FWOFFHZDLWUQOR-SJORKVTESA-N 1 1 344.411 0.866 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 ZINC000837998533 588968522 /nfs/dbraw/zinc/96/85/22/588968522.db2.gz ZHEYLVITAFAAQN-LSDHHAIUSA-N 1 1 336.432 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 ZINC000837998533 588968523 /nfs/dbraw/zinc/96/85/23/588968523.db2.gz ZHEYLVITAFAAQN-LSDHHAIUSA-N 1 1 336.432 0.616 20 30 ECEDMO C#Cc1cccc(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000841913014 589005231 /nfs/dbraw/zinc/00/52/31/589005231.db2.gz FULLSFYGKPJVDZ-KRWDZBQOSA-N 1 1 340.427 0.774 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000842166814 589016405 /nfs/dbraw/zinc/01/64/05/589016405.db2.gz SPBWIPQHERMLPZ-CABCVRRESA-N 1 1 331.372 0.345 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000842166814 589016406 /nfs/dbraw/zinc/01/64/06/589016406.db2.gz SPBWIPQHERMLPZ-CABCVRRESA-N 1 1 331.372 0.345 20 30 ECEDMO C[C@@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)[C@@H](C)C[N@H+]1CCO ZINC000842175931 589017323 /nfs/dbraw/zinc/01/73/23/589017323.db2.gz YAZHUYNVHWYKRS-KGLIPLIRSA-N 1 1 346.435 0.462 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888996674 586056059 /nfs/dbraw/zinc/05/60/59/586056059.db2.gz AHYIEOSYLFVDGX-UHFFFAOYSA-N 1 1 346.431 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000804712023 586062112 /nfs/dbraw/zinc/06/21/12/586062112.db2.gz YOLKDOODEYMTPS-QWHCGFSZSA-N 1 1 333.354 0.463 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000804712023 586062113 /nfs/dbraw/zinc/06/21/13/586062113.db2.gz YOLKDOODEYMTPS-QWHCGFSZSA-N 1 1 333.354 0.463 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCC#C[C@H]2CCCCO2)CC1 ZINC000891879426 586202708 /nfs/dbraw/zinc/20/27/08/586202708.db2.gz RAASXHLANDCGQG-OAHLLOKOSA-N 1 1 336.436 0.022 20 30 ECEDMO CC[NH+]1CCN(CCCCNC(=O)N2CCO[C@@](C)(C#N)C2)CC1 ZINC000891903044 586204757 /nfs/dbraw/zinc/20/47/57/586204757.db2.gz DKCFKVRMXZRRSR-KRWDZBQOSA-N 1 1 337.468 0.728 20 30 ECEDMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n[nH]1 ZINC000896314577 586234501 /nfs/dbraw/zinc/23/45/01/586234501.db2.gz HKWKEAAARIGXKP-CJNGLKHVSA-N 1 1 328.420 0.989 20 30 ECEDMO C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n[nH]1 ZINC000896314577 586234504 /nfs/dbraw/zinc/23/45/04/586234504.db2.gz HKWKEAAARIGXKP-CJNGLKHVSA-N 1 1 328.420 0.989 20 30 ECEDMO N#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)nc1 ZINC000894320047 586386836 /nfs/dbraw/zinc/38/68/36/586386836.db2.gz CBUBOGWAWMLACL-HZPDHXFCSA-N 1 1 329.404 0.694 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+](C)C1 ZINC000840505456 586390425 /nfs/dbraw/zinc/39/04/25/586390425.db2.gz XBSFKAINLBHECJ-OAHLLOKOSA-N 1 1 345.399 0.695 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000898491928 586428316 /nfs/dbraw/zinc/42/83/16/586428316.db2.gz PEGYIIBHNJECAM-HNNXBMFYSA-N 1 1 332.379 0.838 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1 ZINC000898491928 586428318 /nfs/dbraw/zinc/42/83/18/586428318.db2.gz PEGYIIBHNJECAM-HNNXBMFYSA-N 1 1 332.379 0.838 20 30 ECEDMO C#CC1(O)CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000899112445 586470893 /nfs/dbraw/zinc/47/08/93/586470893.db2.gz GAEGBTFERHUZRD-UHFFFAOYSA-N 1 1 341.455 0.791 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000899116113 586471193 /nfs/dbraw/zinc/47/11/93/586471193.db2.gz DQYMUCUDTJTZFI-CVEARBPZSA-N 1 1 347.459 0.306 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000843256735 589057377 /nfs/dbraw/zinc/05/73/77/589057377.db2.gz YEBBOXLTZPXPNI-MRXNPFEDSA-N 1 1 349.475 0.818 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000838396590 586808336 /nfs/dbraw/zinc/80/83/36/586808336.db2.gz YAHKMUOLWSUQNS-CYBMUJFWSA-N 1 1 330.388 0.971 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000838545886 586813928 /nfs/dbraw/zinc/81/39/28/586813928.db2.gz VUJXKIPHQWUIPU-OAHLLOKOSA-N 1 1 329.466 0.715 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1C ZINC000839170594 586840315 /nfs/dbraw/zinc/84/03/15/586840315.db2.gz OQFHYMZUXJLYTP-RDJZCZTQSA-N 1 1 331.416 0.835 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)[C@H](CO)C2)cc1C ZINC000839170594 586840317 /nfs/dbraw/zinc/84/03/17/586840317.db2.gz OQFHYMZUXJLYTP-RDJZCZTQSA-N 1 1 331.416 0.835 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906555953 586953141 /nfs/dbraw/zinc/95/31/41/586953141.db2.gz NCBROGBNOPEASF-MRXNPFEDSA-N 1 1 334.464 0.002 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC[N@H+]1C ZINC000806042010 586954271 /nfs/dbraw/zinc/95/42/71/586954271.db2.gz NHHKQPMJJBSTHV-GXTWGEPZSA-N 1 1 344.419 0.080 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000801509783 586998498 /nfs/dbraw/zinc/99/84/98/586998498.db2.gz AEWCOVCLDYIPNR-HNNXBMFYSA-N 1 1 349.456 0.820 20 30 ECEDMO C[C@H](C#N)OCC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000801932012 587006476 /nfs/dbraw/zinc/00/64/76/587006476.db2.gz FRIBGKLUYCOBQZ-OAHLLOKOSA-N 1 1 341.419 0.709 20 30 ECEDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801948631 587006635 /nfs/dbraw/zinc/00/66/35/587006635.db2.gz CRIKEJLCRBTHMT-KGLIPLIRSA-N 1 1 333.454 0.287 20 30 ECEDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCO[C@H](C)C#N)C1 ZINC000801948631 587006638 /nfs/dbraw/zinc/00/66/38/587006638.db2.gz CRIKEJLCRBTHMT-KGLIPLIRSA-N 1 1 333.454 0.287 20 30 ECEDMO CC[N@@H+](CCNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1)C1CC1 ZINC000804223193 587081725 /nfs/dbraw/zinc/08/17/25/587081725.db2.gz AXLWDKXBXIAKKU-UHFFFAOYSA-N 1 1 344.415 0.784 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000806911198 587111339 /nfs/dbraw/zinc/11/13/39/587111339.db2.gz JMETZUFTONSIKE-BZUAXINKSA-N 1 1 335.448 0.616 20 30 ECEDMO N#CCOc1cccc(CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000808160380 587146576 /nfs/dbraw/zinc/14/65/76/587146576.db2.gz KRYNHZLQOSLIMX-JKSUJKDBSA-N 1 1 329.400 0.799 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)c1C#N ZINC000812271888 587233235 /nfs/dbraw/zinc/23/32/35/587233235.db2.gz XBPPLAPZRUUHBS-UHFFFAOYSA-N 1 1 349.460 0.694 20 30 ECEDMO C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)[C@@H]2C1 ZINC000815704061 587296169 /nfs/dbraw/zinc/29/61/69/587296169.db2.gz URQSJMSKFLVSMW-BXUZGUMPSA-N 1 1 346.362 0.829 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000815703582 587296610 /nfs/dbraw/zinc/29/66/10/587296610.db2.gz INYAYUYAHZEDML-DZGCQCFKSA-N 1 1 327.384 0.800 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000815861013 587300788 /nfs/dbraw/zinc/30/07/88/587300788.db2.gz MPMCFQCKGQTETG-UHFFFAOYSA-N 1 1 344.371 0.027 20 30 ECEDMO C[NH+]1CCN(CC2CN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000820465081 587534887 /nfs/dbraw/zinc/53/48/87/587534887.db2.gz CIGOIAXYADSFAL-UHFFFAOYSA-N 1 1 341.411 0.473 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000823850967 587746101 /nfs/dbraw/zinc/74/61/01/587746101.db2.gz WSFYUWAJPRKZHZ-AWEZNQCLSA-N 1 1 341.371 0.886 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)CC1 ZINC000825077957 587915556 /nfs/dbraw/zinc/91/55/56/587915556.db2.gz NCXFTZRIJFJAMR-OAHLLOKOSA-N 1 1 341.477 0.260 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825937674 587974668 /nfs/dbraw/zinc/97/46/68/587974668.db2.gz HMKOBGGNTNTAEZ-UHFFFAOYSA-N 1 1 338.379 0.503 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000829529484 588328455 /nfs/dbraw/zinc/32/84/55/588328455.db2.gz HNHRZHWMYDFCNQ-HNNXBMFYSA-N 1 1 337.464 0.721 20 30 ECEDMO COC(=O)[C@@H]1C[N@H+](CC(=O)NCCC#N)C[C@H]1c1ccc(O)cc1 ZINC000830133928 588362342 /nfs/dbraw/zinc/36/23/42/588362342.db2.gz CANZGNODIMIELD-LSDHHAIUSA-N 1 1 331.372 0.610 20 30 ECEDMO COC(=O)[C@@H]1C[N@@H+](CC(=O)NCCC#N)C[C@H]1c1ccc(O)cc1 ZINC000830133928 588362343 /nfs/dbraw/zinc/36/23/43/588362343.db2.gz CANZGNODIMIELD-LSDHHAIUSA-N 1 1 331.372 0.610 20 30 ECEDMO C#CC1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000830333612 588368737 /nfs/dbraw/zinc/36/87/37/588368737.db2.gz DQLYVEGIOGPXDJ-UHFFFAOYSA-N 1 1 332.404 0.715 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844369942 589109446 /nfs/dbraw/zinc/10/94/46/589109446.db2.gz OUJRHMBRABUSEW-SFHVURJKSA-N 1 1 340.427 0.301 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844369942 589109447 /nfs/dbraw/zinc/10/94/47/589109447.db2.gz OUJRHMBRABUSEW-SFHVURJKSA-N 1 1 340.427 0.301 20 30 ECEDMO CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844368017 589109497 /nfs/dbraw/zinc/10/94/97/589109497.db2.gz QMWUNTKVOXGYQQ-KRWDZBQOSA-N 1 1 344.415 0.214 20 30 ECEDMO CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844368017 589109498 /nfs/dbraw/zinc/10/94/98/589109498.db2.gz QMWUNTKVOXGYQQ-KRWDZBQOSA-N 1 1 344.415 0.214 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000844369940 589109552 /nfs/dbraw/zinc/10/95/52/589109552.db2.gz OUJRHMBRABUSEW-GOSISDBHSA-N 1 1 340.427 0.301 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000844369940 589109554 /nfs/dbraw/zinc/10/95/54/589109554.db2.gz OUJRHMBRABUSEW-GOSISDBHSA-N 1 1 340.427 0.301 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2ccc(C#N)nc2)CC1 ZINC000846886466 589228236 /nfs/dbraw/zinc/22/82/36/589228236.db2.gz ZWVBZSATANZPJV-QGZVFWFLSA-N 1 1 333.436 0.014 20 30 ECEDMO CC(C)(C)OC(=O)N1CC[C@](O)(C[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000847009648 589232796 /nfs/dbraw/zinc/23/27/96/589232796.db2.gz KNTRYRNBLQVAJX-HOTGVXAUSA-N 1 1 325.409 0.709 20 30 ECEDMO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000847027758 589233160 /nfs/dbraw/zinc/23/31/60/589233160.db2.gz CTOYQSHEEGISQD-CVEARBPZSA-N 1 1 327.432 0.859 20 30 ECEDMO C#C[C@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000847030999 589233210 /nfs/dbraw/zinc/23/32/10/589233210.db2.gz PKIICJUMNUGCOB-ZDUSSCGKSA-N 1 1 329.404 0.169 20 30 ECEDMO C#C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000847318048 589241884 /nfs/dbraw/zinc/24/18/84/589241884.db2.gz CWLRFXHSZASMCP-IAGOWNOFSA-N 1 1 334.464 0.448 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847349063 589243478 /nfs/dbraw/zinc/24/34/78/589243478.db2.gz QDATXMARDNXAQU-KGLIPLIRSA-N 1 1 329.466 0.903 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847349063 589243480 /nfs/dbraw/zinc/24/34/80/589243480.db2.gz QDATXMARDNXAQU-KGLIPLIRSA-N 1 1 329.466 0.903 20 30 ECEDMO C#C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000848283888 589286517 /nfs/dbraw/zinc/28/65/17/589286517.db2.gz FOXGPOLBTXLFGC-IAGOWNOFSA-N 1 1 347.459 0.572 20 30 ECEDMO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(CCC(=O)OCC)C2=O)C1 ZINC000848494240 589298309 /nfs/dbraw/zinc/29/83/09/589298309.db2.gz PGSZTHXLOWIEPR-SUMWQHHRSA-N 1 1 335.404 0.943 20 30 ECEDMO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(CCC(=O)OCC)C2=O)C1 ZINC000848494240 589298310 /nfs/dbraw/zinc/29/83/10/589298310.db2.gz PGSZTHXLOWIEPR-SUMWQHHRSA-N 1 1 335.404 0.943 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)CC1 ZINC000852654651 589504873 /nfs/dbraw/zinc/50/48/73/589504873.db2.gz MCAYFEKGEMZGKQ-LJQANCHMSA-N 1 1 340.471 0.975 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000852752397 589510388 /nfs/dbraw/zinc/51/03/88/589510388.db2.gz WVDVFKPRRFFDJI-UHFFFAOYSA-N 1 1 325.453 0.185 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000852752397 589510389 /nfs/dbraw/zinc/51/03/89/589510389.db2.gz WVDVFKPRRFFDJI-UHFFFAOYSA-N 1 1 325.453 0.185 20 30 ECEDMO C#C[C@H](NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)C1CCOCC1 ZINC000853282760 589539529 /nfs/dbraw/zinc/53/95/29/589539529.db2.gz PQHWFBNGIGEHET-INIZCTEOSA-N 1 1 336.480 0.740 20 30 ECEDMO C=CC[C@H]1CCC[N@@H+](Cn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)C1 ZINC000853536788 589546606 /nfs/dbraw/zinc/54/66/06/589546606.db2.gz YDTPNPOPRXJZEU-HNNXBMFYSA-N 1 1 346.431 0.789 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@H]2CC[N@@H+](C)C2)c1 ZINC000855363660 589627672 /nfs/dbraw/zinc/62/76/72/589627672.db2.gz UUSJRUCAFFZLII-HNNXBMFYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)CC[NH+]1CCN(CC)CC1 ZINC000855493446 589633745 /nfs/dbraw/zinc/63/37/45/589633745.db2.gz CXGZZJMNPGQNLE-UHFFFAOYSA-N 1 1 337.464 0.818 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856553787 589667218 /nfs/dbraw/zinc/66/72/18/589667218.db2.gz FVSCLNSVHQTVRQ-JKSUJKDBSA-N 1 1 343.431 0.599 20 30 ECEDMO CCc1noc(C[C@]2(O)CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000856669781 589669681 /nfs/dbraw/zinc/66/96/81/589669681.db2.gz BZQJQPLHSGUORZ-CXAGYDPISA-N 1 1 349.435 0.762 20 30 ECEDMO CCc1noc(C[C@]2(O)CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000856669781 589669682 /nfs/dbraw/zinc/66/96/82/589669682.db2.gz BZQJQPLHSGUORZ-CXAGYDPISA-N 1 1 349.435 0.762 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858037068 589722317 /nfs/dbraw/zinc/72/23/17/589722317.db2.gz SQKVWRIBVMRDOI-QGZVFWFLSA-N 1 1 342.443 0.621 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858037068 589722319 /nfs/dbraw/zinc/72/23/19/589722319.db2.gz SQKVWRIBVMRDOI-QGZVFWFLSA-N 1 1 342.443 0.621 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000858532239 589754806 /nfs/dbraw/zinc/75/48/06/589754806.db2.gz HXWDOWDSNRXDNP-HNNXBMFYSA-N 1 1 339.436 0.205 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000867798195 589844090 /nfs/dbraw/zinc/84/40/90/589844090.db2.gz BTTFHABEFSFYEV-IRXDYDNUSA-N 1 1 340.427 0.921 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C#Cc2ccccc2)CC1=O ZINC000868389487 589900710 /nfs/dbraw/zinc/90/07/10/589900710.db2.gz QZYUOIAAMIREKV-KRWDZBQOSA-N 1 1 343.427 0.333 20 30 ECEDMO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000871051500 590047334 /nfs/dbraw/zinc/04/73/34/590047334.db2.gz WNXUKAPKJSTKAY-OCCSQVGLSA-N 1 1 328.424 0.790 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000864864258 590112335 /nfs/dbraw/zinc/11/23/35/590112335.db2.gz QUJCXAZCCUDQCK-KRWDZBQOSA-N 1 1 336.436 0.414 20 30 ECEDMO Cc1cc[nH+]c(N)c1C=NNC(=S)NCCCN1CCOCC1 ZINC000872331034 590115332 /nfs/dbraw/zinc/11/53/32/590115332.db2.gz ZZARMMGYXXPLBL-UHFFFAOYSA-N 1 1 336.465 0.493 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000872615562 590133343 /nfs/dbraw/zinc/13/33/43/590133343.db2.gz GKOQKVQJLKVRFP-JKSUJKDBSA-N 1 1 335.429 0.529 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000872618508 590134384 /nfs/dbraw/zinc/13/43/84/590134384.db2.gz ZBKVNISMGWSPSY-WDEREUQCSA-N 1 1 327.431 0.449 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000872664820 590139449 /nfs/dbraw/zinc/13/94/49/590139449.db2.gz UUJMNBFLWVQEGU-KBPBESRZSA-N 1 1 330.454 0.262 20 30 ECEDMO C[N@@H+](CCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C1CC1 ZINC000872927180 590175265 /nfs/dbraw/zinc/17/52/65/590175265.db2.gz SXVWSNCSFXXFJL-UHFFFAOYSA-N 1 1 328.420 0.879 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000874264448 590229360 /nfs/dbraw/zinc/22/93/60/590229360.db2.gz VRXHUYNOQUEAOV-NEPJUHHUSA-N 1 1 331.338 0.469 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000875599431 590312721 /nfs/dbraw/zinc/31/27/21/590312721.db2.gz QLILGYSQYGDCRV-BZUAXINKSA-N 1 1 335.448 0.474 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533523 590320387 /nfs/dbraw/zinc/32/03/87/590320387.db2.gz NLKVHXKYCBPJIQ-HONMWMINSA-N 1 1 326.356 0.432 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533523 590320390 /nfs/dbraw/zinc/32/03/90/590320390.db2.gz NLKVHXKYCBPJIQ-HONMWMINSA-N 1 1 326.356 0.432 20 30 ECEDMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585966 590326272 /nfs/dbraw/zinc/32/62/72/590326272.db2.gz TUBGZUJBXHJLOX-UHFFFAOYSA-N 1 1 336.461 0.962 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586915 590326510 /nfs/dbraw/zinc/32/65/10/590326510.db2.gz YVKXBDHBFKGSNL-SFHVURJKSA-N 1 1 332.448 0.619 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](CCC(=O)OC)C2)CC1 ZINC000880039304 590362986 /nfs/dbraw/zinc/36/29/86/590362986.db2.gz IOYUBSGDWHVVLN-MRXNPFEDSA-N 1 1 335.448 0.429 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC(=O)N1CCCCC1 ZINC000876586582 590389224 /nfs/dbraw/zinc/38/92/24/590389224.db2.gz BKOUYWLMQYQJSJ-KRWDZBQOSA-N 1 1 326.400 0.874 20 30 ECEDMO CN(CC(=O)N1CCOCC1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876597082 590390005 /nfs/dbraw/zinc/39/00/05/590390005.db2.gz BVIBKCDUGNPFJF-KRWDZBQOSA-N 1 1 342.399 0.062 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC=C[C@H]2CO)CC1 ZINC000880488584 590396822 /nfs/dbraw/zinc/39/68/22/590396822.db2.gz HWPFQYZLXJVEQT-LSDHHAIUSA-N 1 1 346.456 0.690 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC=C[C@H]2CO)CC1 ZINC000880488584 590396825 /nfs/dbraw/zinc/39/68/25/590396825.db2.gz HWPFQYZLXJVEQT-LSDHHAIUSA-N 1 1 346.456 0.690 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880589545 590409978 /nfs/dbraw/zinc/40/99/78/590409978.db2.gz UWZJZRYWAWWGBD-QWHCGFSZSA-N 1 1 325.409 0.250 20 30 ECEDMO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000876782977 590415461 /nfs/dbraw/zinc/41/54/61/590415461.db2.gz XMOXCEUPYUMOOV-AWEZNQCLSA-N 1 1 337.855 0.920 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)CC2(O)CCOCC2)c1 ZINC000877977583 590490460 /nfs/dbraw/zinc/49/04/60/590490460.db2.gz XZVFTMSFINIFGN-KRWDZBQOSA-N 1 1 346.427 0.831 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)CC2(O)CCOCC2)c1 ZINC000877977583 590490463 /nfs/dbraw/zinc/49/04/63/590490463.db2.gz XZVFTMSFINIFGN-KRWDZBQOSA-N 1 1 346.427 0.831 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)CC1(O)CCCC1 ZINC000878187108 590504414 /nfs/dbraw/zinc/50/44/14/590504414.db2.gz ZEAUNYUQUIYNKJ-HUUCEWRRSA-N 1 1 345.447 0.915 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)CC1(O)CCCC1 ZINC000878187108 590504416 /nfs/dbraw/zinc/50/44/16/590504416.db2.gz ZEAUNYUQUIYNKJ-HUUCEWRRSA-N 1 1 345.447 0.915 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000878315132 590514739 /nfs/dbraw/zinc/51/47/39/590514739.db2.gz GVTPXCYZBULBBZ-KKUMJFAQSA-N 1 1 327.450 0.029 20 30 ECEDMO C=C(C)C[C@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000883283206 590610830 /nfs/dbraw/zinc/61/08/30/590610830.db2.gz VCVZXTZFULUOKW-CABCVRRESA-N 1 1 340.468 0.555 20 30 ECEDMO C#CC1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000883912416 590683580 /nfs/dbraw/zinc/68/35/80/590683580.db2.gz QPZCUTJCXPQIKN-GOSISDBHSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCc2cccc(C(=O)NC)c2)C1 ZINC000884168012 590760050 /nfs/dbraw/zinc/76/00/50/590760050.db2.gz VKAZJDDZUSZBHP-QGZVFWFLSA-N 1 1 342.443 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2cccc(C(=O)NC)c2)C1 ZINC000884168012 590760052 /nfs/dbraw/zinc/76/00/52/590760052.db2.gz VKAZJDDZUSZBHP-QGZVFWFLSA-N 1 1 342.443 0.986 20 30 ECEDMO C#CCSCC(=O)OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000885891573 590778597 /nfs/dbraw/zinc/77/85/97/590778597.db2.gz JDHJYNKPQPMVTR-CQSZACIVSA-N 1 1 342.461 0.369 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC000135573151 590928666 /nfs/dbraw/zinc/92/86/66/590928666.db2.gz YBNBVIQSDNHXKU-MRXNPFEDSA-N 1 1 329.448 0.507 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC000135573151 590928669 /nfs/dbraw/zinc/92/86/69/590928669.db2.gz YBNBVIQSDNHXKU-MRXNPFEDSA-N 1 1 329.448 0.507 20 30 ECEDMO C=CCC1(O)CC[NH+]([C@H]2CC(=O)N(CCOCCOC)C2=O)CC1 ZINC000887305838 590959053 /nfs/dbraw/zinc/95/90/53/590959053.db2.gz AUFUUTVDQXMSQE-AWEZNQCLSA-N 1 1 340.420 0.180 20 30 ECEDMO C#CC[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890129372 591133801 /nfs/dbraw/zinc/13/38/01/591133801.db2.gz NJLFTDIJGACHJL-QZTJIDSGSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCOC[C@H]2c2ccnn2C)C1 ZINC000890362273 591150291 /nfs/dbraw/zinc/15/02/91/591150291.db2.gz BEZIOXDQHYFIQW-ZBFHGGJFSA-N 1 1 331.420 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCOC[C@H]2c2ccnn2C)C1 ZINC000890362273 591150292 /nfs/dbraw/zinc/15/02/92/591150292.db2.gz BEZIOXDQHYFIQW-ZBFHGGJFSA-N 1 1 331.420 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)C1 ZINC000890362816 591150325 /nfs/dbraw/zinc/15/03/25/591150325.db2.gz IFOJQPSYYXQKSE-CABCVRRESA-N 1 1 347.463 0.877 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)C1 ZINC000890362816 591150327 /nfs/dbraw/zinc/15/03/27/591150327.db2.gz IFOJQPSYYXQKSE-CABCVRRESA-N 1 1 347.463 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](CC(N)=O)c2ccccc2)C1 ZINC000890364243 591152177 /nfs/dbraw/zinc/15/21/77/591152177.db2.gz YGIYTYCKIMQZSU-CVEARBPZSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CC(N)=O)c2ccccc2)C1 ZINC000890364243 591152179 /nfs/dbraw/zinc/15/21/79/591152179.db2.gz YGIYTYCKIMQZSU-CVEARBPZSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CCN(C(=O)NCCS(=O)(=O)C(C)C)C1CC[NH+](C)CC1 ZINC000922507751 611352854 /nfs/dbraw/zinc/35/28/54/611352854.db2.gz KKRLFTPMENLSJL-UHFFFAOYSA-N 1 1 329.466 0.549 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)CC[C@@H]2C1 ZINC000946628174 611373959 /nfs/dbraw/zinc/37/39/59/611373959.db2.gz KGDWIMWQXQBKIL-GASCZTMLSA-N 1 1 328.416 0.588 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2OC)C1 ZINC000946630154 611375458 /nfs/dbraw/zinc/37/54/58/611375458.db2.gz HYBYTQOGRYSDMJ-QLFBSQMISA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC000947998762 611376041 /nfs/dbraw/zinc/37/60/41/611376041.db2.gz OQPJZZYDWZBUKP-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccnn3CCOC)CC[C@@H]2C1 ZINC000946638402 611380912 /nfs/dbraw/zinc/38/09/12/611380912.db2.gz IEAVULQDEYCPTJ-IYBDPMFKSA-N 1 1 330.432 0.947 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)CC[C@@H]2C1 ZINC000946660580 611398324 /nfs/dbraw/zinc/39/83/24/611398324.db2.gz CANLEEUJXWGQEP-IYBDPMFKSA-N 1 1 332.448 0.595 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC[C@@H]2C1 ZINC000946714484 611433821 /nfs/dbraw/zinc/43/38/21/611433821.db2.gz XVAALYNLKNKDNG-HZSPNIEDSA-N 1 1 340.855 0.933 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2CC1 ZINC000946714472 611433516 /nfs/dbraw/zinc/43/35/16/611433516.db2.gz XALSNFPRCYIVPV-OKILXGFUSA-N 1 1 347.463 0.991 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2CC1 ZINC000946786677 611477899 /nfs/dbraw/zinc/47/78/99/611477899.db2.gz ODUFMDTYHUOBMZ-RBZJEDDUSA-N 1 1 335.448 0.622 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3C)CC2)c1C#N ZINC000925335430 611470695 /nfs/dbraw/zinc/47/06/95/611470695.db2.gz VACNBZKCFIDMJW-ZFWWWQNUSA-N 1 1 345.451 0.524 20 30 ECEDMO COC(OC)C(=O)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000930958574 611489030 /nfs/dbraw/zinc/48/90/30/611489030.db2.gz NQQRMPRXJWAGRY-UHFFFAOYSA-N 1 1 339.436 0.850 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000931057235 611502270 /nfs/dbraw/zinc/50/22/70/611502270.db2.gz CJKAFYIXVBACIE-QGZVFWFLSA-N 1 1 339.399 0.989 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000931057235 611502271 /nfs/dbraw/zinc/50/22/71/611502271.db2.gz CJKAFYIXVBACIE-QGZVFWFLSA-N 1 1 339.399 0.989 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC000931145459 611511474 /nfs/dbraw/zinc/51/14/74/611511474.db2.gz KQTYGFCLHSNOPV-UHFFFAOYSA-N 1 1 343.427 0.852 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC000947450065 611542446 /nfs/dbraw/zinc/54/24/46/611542446.db2.gz NJGXFBOHKRXADQ-UKRRQHHQSA-N 1 1 328.416 0.715 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000948374841 611552120 /nfs/dbraw/zinc/55/21/20/611552120.db2.gz ZEZZVAQJGILJAF-HUUCEWRRSA-N 1 1 343.431 0.709 20 30 ECEDMO COC1(OC)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@H]1O ZINC000931640879 611559569 /nfs/dbraw/zinc/55/95/69/611559569.db2.gz SGEWPBLNGJKNAL-OAHLLOKOSA-N 1 1 333.388 0.230 20 30 ECEDMO COC1(OC)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@H]1O ZINC000931640879 611559573 /nfs/dbraw/zinc/55/95/73/611559573.db2.gz SGEWPBLNGJKNAL-OAHLLOKOSA-N 1 1 333.388 0.230 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000947500875 611568767 /nfs/dbraw/zinc/56/87/67/611568767.db2.gz VPRBYBHAJBRJDF-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948417032 611583148 /nfs/dbraw/zinc/58/31/48/611583148.db2.gz VMCOMRAWSQWJGV-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@H]1C ZINC000947560697 611595815 /nfs/dbraw/zinc/59/58/15/611595815.db2.gz TWYMYAFWOZQNFF-ZIAGYGMSSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Nc1ccccc1-c1nnnn1C ZINC000932187132 611607341 /nfs/dbraw/zinc/60/73/41/611607341.db2.gz MGZMXEMJCXVPGI-UHFFFAOYSA-N 1 1 327.392 0.954 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C ZINC000947598172 611613290 /nfs/dbraw/zinc/61/32/90/611613290.db2.gz LMGDZUNMNASZIB-AAEUAGOBSA-N 1 1 344.423 0.853 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C ZINC000947599790 611614121 /nfs/dbraw/zinc/61/41/21/611614121.db2.gz ZKKJGHWVVFHONH-CMPLNLGQSA-N 1 1 330.396 0.463 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1=O ZINC000927594604 611617283 /nfs/dbraw/zinc/61/72/83/611617283.db2.gz MHEUVCGRSNGEGT-HOTGVXAUSA-N 1 1 327.384 0.697 20 30 ECEDMO C#CCC1(O)CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927630021 611621169 /nfs/dbraw/zinc/62/11/69/611621169.db2.gz LONATPAOAGMJPW-MRXNPFEDSA-N 1 1 335.448 0.800 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccccc1C#N ZINC000947627842 611624811 /nfs/dbraw/zinc/62/48/11/611624811.db2.gz AAYLRVJXJRYPIV-SWLSCSKDSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccccc1C#N ZINC000947627842 611624815 /nfs/dbraw/zinc/62/48/15/611624815.db2.gz AAYLRVJXJRYPIV-SWLSCSKDSA-N 1 1 339.403 0.865 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2C)CC1 ZINC000947655153 611636172 /nfs/dbraw/zinc/63/61/72/611636172.db2.gz OJWPBZHGKRQDTD-CZUORRHYSA-N 1 1 343.431 0.332 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1C#N ZINC000947035637 611639467 /nfs/dbraw/zinc/63/94/67/611639467.db2.gz DHLUGMJRHLZLLI-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000947035966 611640216 /nfs/dbraw/zinc/64/02/16/611640216.db2.gz JVZDIDIXCPMASP-NEPJUHHUSA-N 1 1 345.432 0.776 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937358926 608621380 /nfs/dbraw/zinc/62/13/80/608621380.db2.gz HOAGRFADQMBIAY-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3c(C)nnn3CC)CC2)C1 ZINC000949383101 608661860 /nfs/dbraw/zinc/66/18/60/608661860.db2.gz VZMYYKIAEMDSJL-UHFFFAOYSA-N 1 1 345.447 0.937 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3c(C)nnn3CC)CC2)C1 ZINC000949383101 608661862 /nfs/dbraw/zinc/66/18/62/608661862.db2.gz VZMYYKIAEMDSJL-UHFFFAOYSA-N 1 1 345.447 0.937 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 ZINC000949388469 608664894 /nfs/dbraw/zinc/66/48/94/608664894.db2.gz AOBREKJRYNRCQQ-OAHLLOKOSA-N 1 1 333.432 0.229 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)CN3CCCNC3=O)CC2)C1 ZINC000949405819 608670334 /nfs/dbraw/zinc/67/03/34/608670334.db2.gz KKXIOZZHRIVCBC-UHFFFAOYSA-N 1 1 348.447 0.118 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)CN3CCCNC3=O)CC2)C1 ZINC000949405819 608670337 /nfs/dbraw/zinc/67/03/37/608670337.db2.gz KKXIOZZHRIVCBC-UHFFFAOYSA-N 1 1 348.447 0.118 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937412160 608736099 /nfs/dbraw/zinc/73/60/99/608736099.db2.gz UPXDISSJKWKJEF-GJZGRUSLSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC(=O)N([C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000925100865 608761103 /nfs/dbraw/zinc/76/11/03/608761103.db2.gz HPOSSURJHXNEBI-HNNXBMFYSA-N 1 1 336.436 0.233 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C ZINC000947795483 608771573 /nfs/dbraw/zinc/77/15/73/608771573.db2.gz DWIOZJBKCSEKIF-HUUCEWRRSA-N 1 1 348.451 0.724 20 30 ECEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CC[C@@H]2CO)CC1 ZINC000934017920 608788093 /nfs/dbraw/zinc/78/80/93/608788093.db2.gz UCZVNOYKZFAGTQ-IAGOWNOFSA-N 1 1 346.406 0.601 20 30 ECEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]2CO)CC1 ZINC000934017920 608788095 /nfs/dbraw/zinc/78/80/95/608788095.db2.gz UCZVNOYKZFAGTQ-IAGOWNOFSA-N 1 1 346.406 0.601 20 30 ECEDMO N#Cc1cccc(CNC(=O)CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000934257783 608804936 /nfs/dbraw/zinc/80/49/36/608804936.db2.gz NDSWLTDPUVKWOH-MSOLQXFVSA-N 1 1 342.443 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccnnc2)CC1 ZINC000947230166 608812176 /nfs/dbraw/zinc/81/21/76/608812176.db2.gz NXSWELHKKCQKIM-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccnnc2)CC1 ZINC000947230166 608812178 /nfs/dbraw/zinc/81/21/78/608812178.db2.gz NXSWELHKKCQKIM-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cnc(C)[nH]2)CC1 ZINC000947230422 608821046 /nfs/dbraw/zinc/82/10/46/608821046.db2.gz PVNKHYSRTCYWAZ-INIZCTEOSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cnc(C)[nH]2)CC1 ZINC000947230422 608821050 /nfs/dbraw/zinc/82/10/50/608821050.db2.gz PVNKHYSRTCYWAZ-INIZCTEOSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCCOC2)CC1 ZINC000947230467 608821751 /nfs/dbraw/zinc/82/17/51/608821751.db2.gz SEQUTAUDZYYVED-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCCOC2)CC1 ZINC000947230467 608821755 /nfs/dbraw/zinc/82/17/55/608821755.db2.gz SEQUTAUDZYYVED-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947204817 608917821 /nfs/dbraw/zinc/91/78/21/608917821.db2.gz HFANVJFWCIAMJO-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000179406545 608920403 /nfs/dbraw/zinc/92/04/03/608920403.db2.gz QAZBZDRYRSBIOC-HNNXBMFYSA-N 1 1 330.384 0.682 20 30 ECEDMO C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000909569932 608921007 /nfs/dbraw/zinc/92/10/07/608921007.db2.gz TXCYWMYAGWLFOK-CQSZACIVSA-N 1 1 333.436 0.899 20 30 ECEDMO CC[C@@H](NC(=O)NCC#CCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000923776184 608922636 /nfs/dbraw/zinc/92/26/36/608922636.db2.gz PEKALEVNJMCHEG-MSOLQXFVSA-N 1 1 345.443 0.961 20 30 ECEDMO CC[C@@H](NC(=O)NCC#CCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000923776184 608922638 /nfs/dbraw/zinc/92/26/38/608922638.db2.gz PEKALEVNJMCHEG-MSOLQXFVSA-N 1 1 345.443 0.961 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H](C)C2)cc1 ZINC000947778919 609024916 /nfs/dbraw/zinc/02/49/16/609024916.db2.gz LFQBRDLOZLXVQZ-ZFWWWQNUSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H](C)C2)cc1 ZINC000947778919 609024919 /nfs/dbraw/zinc/02/49/19/609024919.db2.gz LFQBRDLOZLXVQZ-ZFWWWQNUSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000936393989 609115809 /nfs/dbraw/zinc/11/58/09/609115809.db2.gz VHAFATSIHRIJCV-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000936393989 609115813 /nfs/dbraw/zinc/11/58/13/609115813.db2.gz VHAFATSIHRIJCV-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H](CC#N)C(F)(F)F)CC1 ZINC000932915312 611684221 /nfs/dbraw/zinc/68/42/21/611684221.db2.gz HJCYMWDLRZJJTO-LLVKDONJSA-N 1 1 349.357 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cc(C)on2)C1 ZINC000938170425 609482183 /nfs/dbraw/zinc/48/21/83/609482183.db2.gz HMPLZYNHDMGQGZ-HOCLYGCPSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cc(C)on2)C1 ZINC000938170425 609482186 /nfs/dbraw/zinc/48/21/86/609482186.db2.gz HMPLZYNHDMGQGZ-HOCLYGCPSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000938170855 609482563 /nfs/dbraw/zinc/48/25/63/609482563.db2.gz QGRHZUODXNYMOC-BBWFWOEESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000938170855 609482567 /nfs/dbraw/zinc/48/25/67/609482567.db2.gz QGRHZUODXNYMOC-BBWFWOEESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccn2C)C1 ZINC000938172404 609485145 /nfs/dbraw/zinc/48/51/45/609485145.db2.gz XCSVANPAOGUECX-GJZGRUSLSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccn2C)C1 ZINC000938172404 609485148 /nfs/dbraw/zinc/48/51/48/609485148.db2.gz XCSVANPAOGUECX-GJZGRUSLSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](OC)C2CCC2)C1 ZINC000938173472 609485682 /nfs/dbraw/zinc/48/56/82/609485682.db2.gz RYZLVUQKKUVDMJ-YESZJQIVSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](OC)C2CCC2)C1 ZINC000938173472 609485684 /nfs/dbraw/zinc/48/56/84/609485684.db2.gz RYZLVUQKKUVDMJ-YESZJQIVSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2csc(C)n2)C1 ZINC000938173593 609486415 /nfs/dbraw/zinc/48/64/15/609486415.db2.gz VNHKGQSXPYSFEX-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2csc(C)n2)C1 ZINC000938173593 609486416 /nfs/dbraw/zinc/48/64/16/609486416.db2.gz VNHKGQSXPYSFEX-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)CC2)c1C#N ZINC000908285458 609649483 /nfs/dbraw/zinc/64/94/83/609649483.db2.gz QXLUWDDPLJDVBG-BLLLJJGKSA-N 1 1 349.460 0.427 20 30 ECEDMO Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C#N)c1 ZINC000919974952 609667437 /nfs/dbraw/zinc/66/74/37/609667437.db2.gz RFHSLDDZUVDLTF-HIFRSBDPSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c(C#N)c1 ZINC000919974952 609667438 /nfs/dbraw/zinc/66/74/38/609667438.db2.gz RFHSLDDZUVDLTF-HIFRSBDPSA-N 1 1 336.461 0.779 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000930119029 609674414 /nfs/dbraw/zinc/67/44/14/609674414.db2.gz NJHUBJMWXYCCAE-UHFFFAOYSA-N 1 1 332.429 0.753 20 30 ECEDMO C#CCCCS(=O)(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920273304 609677641 /nfs/dbraw/zinc/67/76/41/609677641.db2.gz GHLFUGUOHLRALY-WCVJEAGWSA-N 1 1 328.478 0.799 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[N@H+]1C ZINC000920411742 609681376 /nfs/dbraw/zinc/68/13/76/609681376.db2.gz JMIDKZVTMJIOMG-RGCMKSIDSA-N 1 1 340.449 0.049 20 30 ECEDMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC#CCO)C1 ZINC000923762462 609700904 /nfs/dbraw/zinc/70/09/04/609700904.db2.gz GVPUCCNALPSOQS-KRWDZBQOSA-N 1 1 330.432 0.098 20 30 ECEDMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC#CCO)C1 ZINC000923762462 609700906 /nfs/dbraw/zinc/70/09/06/609700906.db2.gz GVPUCCNALPSOQS-KRWDZBQOSA-N 1 1 330.432 0.098 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)[C@@H](CCC)C(=O)OCC)CC1 ZINC000921437239 609716751 /nfs/dbraw/zinc/71/67/51/609716751.db2.gz QQSQQTXVTARQGL-AWEZNQCLSA-N 1 1 330.450 0.735 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000921437024 609716760 /nfs/dbraw/zinc/71/67/60/609716760.db2.gz KGUNECZMFNHQIE-DZGCQCFKSA-N 1 1 330.450 0.055 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)NC)cc2)CC1 ZINC000921439945 609717080 /nfs/dbraw/zinc/71/70/80/609717080.db2.gz NWDGWGKOBDFAPU-UHFFFAOYSA-N 1 1 335.429 0.422 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000921439910 609717093 /nfs/dbraw/zinc/71/70/93/609717093.db2.gz MXIPWSLQOPBVSG-UHFFFAOYSA-N 1 1 335.385 0.909 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)CC2CCCC2)c1=O ZINC000058207524 609725162 /nfs/dbraw/zinc/72/51/62/609725162.db2.gz JHSDFXXSBLTRSH-UHFFFAOYSA-N 1 1 334.420 0.623 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000947761690 609733676 /nfs/dbraw/zinc/73/36/76/609733676.db2.gz ONXHICZDYAPRDB-STQMWFEESA-N 1 1 334.420 0.243 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC000938291567 609760922 /nfs/dbraw/zinc/76/09/22/609760922.db2.gz PDFPDYFPNXYURU-INIZCTEOSA-N 1 1 337.383 0.599 20 30 ECEDMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 ZINC000910870090 609770876 /nfs/dbraw/zinc/77/08/76/609770876.db2.gz MRXXUIQKZAVROE-CQSZACIVSA-N 1 1 348.451 0.652 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2cccnc2)C1 ZINC000954063314 609800047 /nfs/dbraw/zinc/80/00/47/609800047.db2.gz BIQVZTZHADBHCG-KRWDZBQOSA-N 1 1 340.427 0.391 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2cccnc2)C1 ZINC000954063314 609800049 /nfs/dbraw/zinc/80/00/49/609800049.db2.gz BIQVZTZHADBHCG-KRWDZBQOSA-N 1 1 340.427 0.391 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000923595527 609801043 /nfs/dbraw/zinc/80/10/43/609801043.db2.gz UQZZMFCVVHSUST-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000923595527 609801049 /nfs/dbraw/zinc/80/10/49/609801049.db2.gz UQZZMFCVVHSUST-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC000923596120 609803727 /nfs/dbraw/zinc/80/37/27/609803727.db2.gz ZNZGKIPPDOITFL-SOLBZPMBSA-N 1 1 340.427 0.815 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC000923596120 609803729 /nfs/dbraw/zinc/80/37/29/609803729.db2.gz ZNZGKIPPDOITFL-SOLBZPMBSA-N 1 1 340.427 0.815 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)cn2C)CC1 ZINC000914071351 609849250 /nfs/dbraw/zinc/84/92/50/609849250.db2.gz NYFAQOMOSHIBFB-UHFFFAOYSA-N 1 1 341.433 0.740 20 30 ECEDMO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000911870917 609916918 /nfs/dbraw/zinc/91/69/18/609916918.db2.gz HNKAQAKREIZRDV-AEFFLSMTSA-N 1 1 331.416 0.897 20 30 ECEDMO CCNC(=O)COc1ccc(C=NN2CC[NH+](C)CC2)cc1OC ZINC000916248101 609935832 /nfs/dbraw/zinc/93/58/32/609935832.db2.gz LENCEALBLUGRBH-UHFFFAOYSA-N 1 1 334.420 0.791 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000938705622 609953744 /nfs/dbraw/zinc/95/37/44/609953744.db2.gz WROWSNOXPZUTCO-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CC[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000917167022 609963235 /nfs/dbraw/zinc/96/32/35/609963235.db2.gz OPGVIXCYCIFHGC-UHFFFAOYSA-N 1 1 339.461 0.889 20 30 ECEDMO N#CCN1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000917308408 609969189 /nfs/dbraw/zinc/96/91/89/609969189.db2.gz RMEMQGJWMYRQPW-CABCVRRESA-N 1 1 337.493 0.853 20 30 ECEDMO C#CCN1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000919404546 610043309 /nfs/dbraw/zinc/04/33/09/610043309.db2.gz ONHVANDZWWDXFL-INIZCTEOSA-N 1 1 348.491 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC000938967129 610058346 /nfs/dbraw/zinc/05/83/46/610058346.db2.gz QFFIOYBBGBFSIU-WBVHZDCISA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC000939652571 610077528 /nfs/dbraw/zinc/07/75/28/610077528.db2.gz GWJGLJNPJCCBDX-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC000939652571 610077530 /nfs/dbraw/zinc/07/75/30/610077530.db2.gz GWJGLJNPJCCBDX-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000939700101 610091681 /nfs/dbraw/zinc/09/16/81/610091681.db2.gz PRWMTGHNIXHTIV-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nncs3)C2)nn1 ZINC000939292845 610149204 /nfs/dbraw/zinc/14/92/04/610149204.db2.gz NJBFCGGLNKAPFR-NEPJUHHUSA-N 1 1 347.448 0.956 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)c1 ZINC000940007593 610184776 /nfs/dbraw/zinc/18/47/76/610184776.db2.gz QYEHEHBDSMSLSA-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnn(C)c2C)C1 ZINC000939451208 610203292 /nfs/dbraw/zinc/20/32/92/610203292.db2.gz JIVFFUDGMLKHAJ-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnn(C)c2C)C1 ZINC000939451208 610203293 /nfs/dbraw/zinc/20/32/93/610203293.db2.gz JIVFFUDGMLKHAJ-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC000939513567 610223760 /nfs/dbraw/zinc/22/37/60/610223760.db2.gz HDCSXYPFFSCFPA-JSGCOSHPSA-N 1 1 347.394 0.319 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC000939513567 610223761 /nfs/dbraw/zinc/22/37/61/610223761.db2.gz HDCSXYPFFSCFPA-JSGCOSHPSA-N 1 1 347.394 0.319 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)CC2)C1 ZINC000941410854 610302089 /nfs/dbraw/zinc/30/20/89/610302089.db2.gz PEKKYHKWTLYKIT-QGZVFWFLSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4nccn43)CC2)C1 ZINC000941436675 610314450 /nfs/dbraw/zinc/31/44/50/610314450.db2.gz ATESEZHCXWPNIF-QGZVFWFLSA-N 1 1 341.459 0.612 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941436940 610314578 /nfs/dbraw/zinc/31/45/78/610314578.db2.gz LXBZHQJXZVODIZ-KRWDZBQOSA-N 1 1 332.492 0.711 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cc3cn(C)nc3C)CC2)C1 ZINC000941438265 610315695 /nfs/dbraw/zinc/31/56/95/610315695.db2.gz NFVGAMPVSHGFHZ-UHFFFAOYSA-N 1 1 331.464 0.676 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn4ncccc34)CC2)C1 ZINC000941440952 610316781 /nfs/dbraw/zinc/31/67/81/610316781.db2.gz YVXMQYJQEDCWAD-UHFFFAOYSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)C1 ZINC000941448933 610323788 /nfs/dbraw/zinc/32/37/88/610323788.db2.gz KCJKBQDCBAJMHU-UHFFFAOYSA-N 1 1 341.459 0.685 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccnn3CCOC)CC2)C1 ZINC000941449351 610323912 /nfs/dbraw/zinc/32/39/12/610323912.db2.gz OREYIPZOEUAXBC-UHFFFAOYSA-N 1 1 333.436 0.158 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C(C)(C)n3cnc(C)c3)CC2)C1 ZINC000941450942 610325423 /nfs/dbraw/zinc/32/54/23/610325423.db2.gz GNEOVZDSOPYTKF-UHFFFAOYSA-N 1 1 343.475 0.778 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)C1 ZINC000941451978 610325929 /nfs/dbraw/zinc/32/59/29/610325929.db2.gz QCNDINXBLHDIFK-UHFFFAOYSA-N 1 1 331.420 0.015 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940658006 610326376 /nfs/dbraw/zinc/32/63/76/610326376.db2.gz NSAZOUZBCNXVEA-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)C1 ZINC000941452415 610326435 /nfs/dbraw/zinc/32/64/35/610326435.db2.gz WGRFJDDZUVMFRH-UHFFFAOYSA-N 1 1 326.404 0.586 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941471402 610330033 /nfs/dbraw/zinc/33/00/33/610330033.db2.gz ZPUJDCYRKORLEI-LJQANCHMSA-N 1 1 346.519 0.959 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000940688480 610330972 /nfs/dbraw/zinc/33/09/72/610330972.db2.gz AQIPNYHHSAMUNL-LLVKDONJSA-N 1 1 327.816 0.953 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000940688480 610330973 /nfs/dbraw/zinc/33/09/73/610330973.db2.gz AQIPNYHHSAMUNL-LLVKDONJSA-N 1 1 327.816 0.953 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cn4cccnc4n3)CC2)C1 ZINC000941474870 610331562 /nfs/dbraw/zinc/33/15/62/610331562.db2.gz AYOYNOLABRLDHW-UHFFFAOYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cccc4ncnn43)CC2)C1 ZINC000941476068 610332412 /nfs/dbraw/zinc/33/24/12/610332412.db2.gz JPQZIIFVQDHFDG-UHFFFAOYSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2cnoc2)CC1 ZINC000941465120 610333981 /nfs/dbraw/zinc/33/39/81/610333981.db2.gz HSOALISHIJTKHK-INIZCTEOSA-N 1 1 344.415 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2cnoc2)CC1 ZINC000941465120 610333983 /nfs/dbraw/zinc/33/39/83/610333983.db2.gz HSOALISHIJTKHK-INIZCTEOSA-N 1 1 344.415 0.376 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1 ZINC000941500239 610344760 /nfs/dbraw/zinc/34/47/60/610344760.db2.gz NEFNVWVWZKPJBS-IAGOWNOFSA-N 1 1 341.459 0.375 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000941528584 610360785 /nfs/dbraw/zinc/36/07/85/610360785.db2.gz SKEVLHIKTKOXQN-LBPRGKRZSA-N 1 1 333.392 0.570 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](C)C1 ZINC000942259844 610364659 /nfs/dbraw/zinc/36/46/59/610364659.db2.gz UPJWISGYVGORFN-NWDGAFQWSA-N 1 1 339.417 0.391 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3nnn(CC)c3CC)CC2)C1 ZINC000941563800 610384821 /nfs/dbraw/zinc/38/48/21/610384821.db2.gz OJROEWNHVMILFW-UHFFFAOYSA-N 1 1 346.479 0.879 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000940812747 610386444 /nfs/dbraw/zinc/38/64/44/610386444.db2.gz VFNGCCGBTUGAMF-CJNGLKHVSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)CCn3cc[nH+]c3C(C)C)CC2)C1 ZINC000941592738 610388547 /nfs/dbraw/zinc/38/85/47/610388547.db2.gz LOCOXVNPBRWRBP-UHFFFAOYSA-N 1 1 343.475 0.858 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(COC)on3)CC2)C1 ZINC000941594839 610389912 /nfs/dbraw/zinc/38/99/12/610389912.db2.gz AJTPLMXQHCNVOB-UHFFFAOYSA-N 1 1 334.420 0.839 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)C1 ZINC000941590273 610399214 /nfs/dbraw/zinc/39/92/14/610399214.db2.gz IZRMQZUOTVTYID-UHFFFAOYSA-N 1 1 329.448 0.776 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CC2=CCOCC2)C1 ZINC000942346849 610407692 /nfs/dbraw/zinc/40/76/92/610407692.db2.gz DPWSUNRLZJQSFF-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CC2=CCOCC2)C1 ZINC000942346849 610407699 /nfs/dbraw/zinc/40/76/99/610407699.db2.gz DPWSUNRLZJQSFF-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc(C4CC4)nc3)CC2)C1 ZINC000941596501 610413969 /nfs/dbraw/zinc/41/39/69/610413969.db2.gz IXRKKVMMOLBEFH-UHFFFAOYSA-N 1 1 327.432 0.982 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3nnnn3c2)C(C)(C)C1 ZINC000940887826 610416419 /nfs/dbraw/zinc/41/64/19/610416419.db2.gz FGEXHXFWWRYJFH-AWEZNQCLSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)C1 ZINC000941639765 610424387 /nfs/dbraw/zinc/42/43/87/610424387.db2.gz YMRNVSIIKWQHCF-UHFFFAOYSA-N 1 1 329.448 0.539 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cccnc3C(N)=O)CC2)C1 ZINC000941671270 610444732 /nfs/dbraw/zinc/44/47/32/610444732.db2.gz GDMIPJFJDLKXJO-UHFFFAOYSA-N 1 1 343.431 0.199 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(C)cc(=O)[nH]c3C)CC2)C1 ZINC000941674799 610447526 /nfs/dbraw/zinc/44/75/26/610447526.db2.gz MEQMQJIXSXWABX-UHFFFAOYSA-N 1 1 342.443 0.869 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCc3cnn(C)c3)CC2)C1 ZINC000941674449 610447664 /nfs/dbraw/zinc/44/76/64/610447664.db2.gz BTYKJGIIUIPUHO-UHFFFAOYSA-N 1 1 331.464 0.757 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000941676403 610448934 /nfs/dbraw/zinc/44/89/34/610448934.db2.gz APLJWWUMHGUACP-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2coc(OC)n2)C1 ZINC000941735513 610482108 /nfs/dbraw/zinc/48/21/08/610482108.db2.gz YSQUOINKOMSCLL-OCCSQVGLSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2coc(OC)n2)C1 ZINC000941735513 610482109 /nfs/dbraw/zinc/48/21/09/610482109.db2.gz YSQUOINKOMSCLL-OCCSQVGLSA-N 1 1 346.387 0.112 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)CC2(C)C)c1 ZINC000941016082 610495182 /nfs/dbraw/zinc/49/51/82/610495182.db2.gz YRGVFJNPPCWXQJ-HNNXBMFYSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)CC2(C)C)c1 ZINC000941016082 610495187 /nfs/dbraw/zinc/49/51/87/610495187.db2.gz YRGVFJNPPCWXQJ-HNNXBMFYSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)[C@H](C)C1 ZINC000942526867 610499104 /nfs/dbraw/zinc/49/91/04/610499104.db2.gz CLLIVQOORIEZNP-HIFRSBDPSA-N 1 1 327.388 0.993 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](C)C1 ZINC000942530125 610501283 /nfs/dbraw/zinc/50/12/83/610501283.db2.gz PHPYEFAGDTUSGQ-ZFWWWQNUSA-N 1 1 339.403 0.521 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](C)C1 ZINC000942543036 610506091 /nfs/dbraw/zinc/50/60/91/610506091.db2.gz ODAGBBHIZBNPJO-GJZGRUSLSA-N 1 1 341.415 0.346 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@H](C)C1 ZINC000942551296 610509483 /nfs/dbraw/zinc/50/94/83/610509483.db2.gz RAHNJVPAAXHLHI-DOMZBBRYSA-N 1 1 330.432 0.861 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000941146085 610572740 /nfs/dbraw/zinc/57/27/40/610572740.db2.gz ZXIKDMLAVUWRFF-ZDUSSCGKSA-N 1 1 348.447 0.557 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC000941172994 610575578 /nfs/dbraw/zinc/57/55/78/610575578.db2.gz NUYBXULXQGXXNL-HNNXBMFYSA-N 1 1 331.416 0.916 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)nc1 ZINC000941169691 610583694 /nfs/dbraw/zinc/58/36/94/610583694.db2.gz QBAZBNFMZUVWBU-CVEARBPZSA-N 1 1 340.427 0.782 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000941191448 610585639 /nfs/dbraw/zinc/58/56/39/610585639.db2.gz SOBJNPKWPPRLPV-AWEZNQCLSA-N 1 1 333.436 0.130 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000941199967 610589888 /nfs/dbraw/zinc/58/98/88/610589888.db2.gz SYSWCQDPOOZMEP-CYBMUJFWSA-N 1 1 348.447 0.557 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941226785 610610429 /nfs/dbraw/zinc/61/04/29/610610429.db2.gz SRAJUTIJCIWRBE-ZIAGYGMSSA-N 1 1 343.493 0.861 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C1 ZINC000941241618 610614233 /nfs/dbraw/zinc/61/42/33/610614233.db2.gz HPCMXVNQWFTOQE-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C1 ZINC000941241618 610614235 /nfs/dbraw/zinc/61/42/35/610614235.db2.gz HPCMXVNQWFTOQE-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2csc(C)n2)C1 ZINC000941245802 610616622 /nfs/dbraw/zinc/61/66/22/610616622.db2.gz VNHKGQSXPYSFEX-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2csc(C)n2)C1 ZINC000941245802 610616624 /nfs/dbraw/zinc/61/66/24/610616624.db2.gz VNHKGQSXPYSFEX-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nccn2CC)C1 ZINC000941237700 610621673 /nfs/dbraw/zinc/62/16/73/610621673.db2.gz GNEPATDUQAYARY-CABCVRRESA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nccn2CC)C1 ZINC000941237700 610621676 /nfs/dbraw/zinc/62/16/76/610621676.db2.gz GNEPATDUQAYARY-CABCVRRESA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000941238009 610621980 /nfs/dbraw/zinc/62/19/80/610621980.db2.gz PMYOYSQUDMWHIQ-ZBFHGGJFSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000941238009 610621982 /nfs/dbraw/zinc/62/19/82/610621982.db2.gz PMYOYSQUDMWHIQ-ZBFHGGJFSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC000941238010 610622364 /nfs/dbraw/zinc/62/23/64/610622364.db2.gz PNXRTPPJZGURJV-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC000941238010 610622366 /nfs/dbraw/zinc/62/23/66/610622366.db2.gz PNXRTPPJZGURJV-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000942801528 610628571 /nfs/dbraw/zinc/62/85/71/610628571.db2.gz LLWKJLWDCYZWOT-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C ZINC000947899726 610635321 /nfs/dbraw/zinc/63/53/21/610635321.db2.gz MPSFYXGRNSMDAI-CABCVRRESA-N 1 1 347.463 0.926 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942058608 610636575 /nfs/dbraw/zinc/63/65/75/610636575.db2.gz ZCFDJNUQXCFRFH-CJNGLKHVSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)[C@H](C)C1 ZINC000942096593 610647781 /nfs/dbraw/zinc/64/77/81/610647781.db2.gz UNGLHSVSEBWSCF-CJNGLKHVSA-N 1 1 329.400 0.624 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941344282 610681769 /nfs/dbraw/zinc/68/17/69/610681769.db2.gz GBECXXUSILHRAC-HNNXBMFYSA-N 1 1 326.872 0.662 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941344283 610682060 /nfs/dbraw/zinc/68/20/60/610682060.db2.gz GBECXXUSILHRAC-OAHLLOKOSA-N 1 1 326.872 0.662 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C2C[NH+](CCc3ccns3)C2)CC1 ZINC000941347908 610684487 /nfs/dbraw/zinc/68/44/87/610684487.db2.gz GNHGPAAOCVBDRT-CYBMUJFWSA-N 1 1 333.461 0.674 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000942194340 610694773 /nfs/dbraw/zinc/69/47/73/610694773.db2.gz AEPCTJYHHJOSHT-WCQYABFASA-N 1 1 341.433 0.943 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H](C)C1 ZINC000942209061 610697649 /nfs/dbraw/zinc/69/76/49/610697649.db2.gz SXODLECNWOIQGC-KGLIPLIRSA-N 1 1 342.403 0.783 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000941391229 610705703 /nfs/dbraw/zinc/70/57/03/610705703.db2.gz VWRGMLXSCVLLBS-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(F)cncc3F)CC2)C1 ZINC000941423818 610724281 /nfs/dbraw/zinc/72/42/81/610724281.db2.gz BOJJVMGYJHBTCF-UHFFFAOYSA-N 1 1 334.370 0.825 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H](C)C1 ZINC000943234706 610760429 /nfs/dbraw/zinc/76/04/29/610760429.db2.gz VZQDTTZSFSWITA-ZIAGYGMSSA-N 1 1 344.419 0.294 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC000944169542 610763720 /nfs/dbraw/zinc/76/37/20/610763720.db2.gz DSZHSLIMWFSENG-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 ZINC000944152792 610768103 /nfs/dbraw/zinc/76/81/03/610768103.db2.gz DIQPWXNKZQDYIX-CHWSQXEVSA-N 1 1 344.419 0.824 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)CC2)C1 ZINC000944896337 610822520 /nfs/dbraw/zinc/82/25/20/610822520.db2.gz NYJGCMBTQKSQEB-MRXNPFEDSA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)CC2)C1 ZINC000944896337 610822521 /nfs/dbraw/zinc/82/25/21/610822521.db2.gz NYJGCMBTQKSQEB-MRXNPFEDSA-N 1 1 345.443 0.181 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)CCN(C(=O)[C@H](C)C#N)CC2 ZINC000945034762 610889852 /nfs/dbraw/zinc/88/98/52/610889852.db2.gz FMUVJIWJCKEYBR-CYBMUJFWSA-N 1 1 329.404 0.802 20 30 ECEDMO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000943580881 610909095 /nfs/dbraw/zinc/90/90/95/610909095.db2.gz YAFLHKNAQHJNPK-ARFHVFGLSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cocn1 ZINC000943910089 611025063 /nfs/dbraw/zinc/02/50/63/611025063.db2.gz OJCVCTPRKMAMRQ-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cocn1 ZINC000943910089 611025066 /nfs/dbraw/zinc/02/50/66/611025066.db2.gz OJCVCTPRKMAMRQ-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000943941159 611049804 /nfs/dbraw/zinc/04/98/04/611049804.db2.gz RCLHNDMDFFTYCZ-BPLDGKMQSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC2(C)CC2)CCO1 ZINC000944644324 611049864 /nfs/dbraw/zinc/04/98/64/611049864.db2.gz IVLNJWXGIOJWRW-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC2(C)CC2)CCO1 ZINC000944644324 611049867 /nfs/dbraw/zinc/04/98/67/611049867.db2.gz IVLNJWXGIOJWRW-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000944648203 611057048 /nfs/dbraw/zinc/05/70/48/611057048.db2.gz SEQKKYAYAIENFP-CABCVRRESA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000944648203 611057051 /nfs/dbraw/zinc/05/70/51/611057051.db2.gz SEQKKYAYAIENFP-CABCVRRESA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C=C/C2CC2)CCO1 ZINC000944649019 611057821 /nfs/dbraw/zinc/05/78/21/611057821.db2.gz YCGKDUUAZLFJJM-PWHGLLLSSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C=C/C2CC2)CCO1 ZINC000944649019 611057823 /nfs/dbraw/zinc/05/78/23/611057823.db2.gz YCGKDUUAZLFJJM-PWHGLLLSSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 ZINC000944653111 611061046 /nfs/dbraw/zinc/06/10/46/611061046.db2.gz KYYCLCKQFLLSQO-QWHCGFSZSA-N 1 1 334.420 0.167 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](C)C1 ZINC000944032861 611097275 /nfs/dbraw/zinc/09/72/75/611097275.db2.gz IEKQGXDALBEDMK-GJZGRUSLSA-N 1 1 347.463 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccon2)CC1 ZINC000944721522 611112868 /nfs/dbraw/zinc/11/28/68/611112868.db2.gz NYYAHFCLUFYSRB-HNNXBMFYSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccon2)CC1 ZINC000944721522 611112870 /nfs/dbraw/zinc/11/28/70/611112870.db2.gz NYYAHFCLUFYSRB-HNNXBMFYSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000944098414 611130998 /nfs/dbraw/zinc/13/09/98/611130998.db2.gz VJYNLGNYPWXXPU-CVEARBPZSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000944098414 611131000 /nfs/dbraw/zinc/13/10/00/611131000.db2.gz VJYNLGNYPWXXPU-CVEARBPZSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1oncc1C ZINC000944100046 611131866 /nfs/dbraw/zinc/13/18/66/611131866.db2.gz MFDAASDQJCGZIZ-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1oncc1C ZINC000944100046 611131867 /nfs/dbraw/zinc/13/18/67/611131867.db2.gz MFDAASDQJCGZIZ-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2c(OC)ncnc2OC)[C@@H](C)C1 ZINC000945942032 611162692 /nfs/dbraw/zinc/16/26/92/611162692.db2.gz HICWXHCDDOBFJE-QWHCGFSZSA-N 1 1 332.404 0.957 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCN3CCOCC3)CC[C@@H]2C1 ZINC000946824422 611174564 /nfs/dbraw/zinc/17/45/64/611174564.db2.gz MGMRAPARKGKOMU-HDICACEKSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnccc3=O)CC[C@@H]2C1 ZINC000946839575 611189570 /nfs/dbraw/zinc/18/95/70/611189570.db2.gz CTCIOLQZZGPQCT-IYBDPMFKSA-N 1 1 328.416 0.437 20 30 ECEDMO C#CCN(C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000923270652 611222808 /nfs/dbraw/zinc/22/28/08/611222808.db2.gz WHNCIOXNTMMJFO-KGLIPLIRSA-N 1 1 341.477 0.691 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000923487756 611249472 /nfs/dbraw/zinc/24/94/72/611249472.db2.gz HFFLFOCXJVHZRB-JLOCXQCDSA-N 1 1 337.464 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(N3CCOCC3)ncn2)C1 ZINC000923550346 611260371 /nfs/dbraw/zinc/26/03/71/611260371.db2.gz BQNMKQZDIHLKGX-AWEZNQCLSA-N 1 1 329.404 0.141 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(N3CCOCC3)ncn2)C1 ZINC000923550346 611260373 /nfs/dbraw/zinc/26/03/73/611260373.db2.gz BQNMKQZDIHLKGX-AWEZNQCLSA-N 1 1 329.404 0.141 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)nn(C)c2-n2cccn2)C1 ZINC000923564379 611263822 /nfs/dbraw/zinc/26/38/22/611263822.db2.gz QQMFZQOKFPQCGY-CQSZACIVSA-N 1 1 326.404 0.742 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nn(C)c2-n2cccn2)C1 ZINC000923564379 611263823 /nfs/dbraw/zinc/26/38/23/611263823.db2.gz QQMFZQOKFPQCGY-CQSZACIVSA-N 1 1 326.404 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2S(N)(=O)=O)C1 ZINC000923564677 611264113 /nfs/dbraw/zinc/26/41/13/611264113.db2.gz BMAJANLKBNTTGZ-CYBMUJFWSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2S(N)(=O)=O)C1 ZINC000923564677 611264114 /nfs/dbraw/zinc/26/41/14/611264114.db2.gz BMAJANLKBNTTGZ-CYBMUJFWSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2csc(-c3nc[nH]n3)n2)C1 ZINC000923579899 611268259 /nfs/dbraw/zinc/26/82/59/611268259.db2.gz TZAGIDSUBBOWHY-NSHDSACASA-N 1 1 330.417 0.685 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2csc(-c3nc[nH]n3)n2)C1 ZINC000923579899 611268261 /nfs/dbraw/zinc/26/82/61/611268261.db2.gz TZAGIDSUBBOWHY-NSHDSACASA-N 1 1 330.417 0.685 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1 ZINC000923580415 611268477 /nfs/dbraw/zinc/26/84/77/611268477.db2.gz CAQUNCINZKJDQX-GFCCVEGCSA-N 1 1 339.392 0.301 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1 ZINC000923580415 611268479 /nfs/dbraw/zinc/26/84/79/611268479.db2.gz CAQUNCINZKJDQX-GFCCVEGCSA-N 1 1 339.392 0.301 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@@H]1C ZINC000947924444 611280595 /nfs/dbraw/zinc/28/05/95/611280595.db2.gz DEKDUQMTYQSGCE-QWRGUYRKSA-N 1 1 334.376 0.502 20 30 ECEDMO N#Cc1c(N2CCN(c3[nH]cc[nH+]3)CC2)cccc1S(N)(=O)=O ZINC000811839895 611282748 /nfs/dbraw/zinc/28/27/48/611282748.db2.gz HKNQCGJHSQWGOQ-UHFFFAOYSA-N 1 1 332.389 0.255 20 30 ECEDMO C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000921955054 611327861 /nfs/dbraw/zinc/32/78/61/611327861.db2.gz CHBNRNHAJYAEQW-YNEHKIRRSA-N 1 1 337.424 0.749 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC000947900791 611735916 /nfs/dbraw/zinc/73/59/16/611735916.db2.gz WPFZDQPJDOVMFJ-KGLIPLIRSA-N 1 1 336.436 0.864 20 30 ECEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000929264804 611741121 /nfs/dbraw/zinc/74/11/21/611741121.db2.gz ZOOUMANGGZZAGW-SFHVURJKSA-N 1 1 345.443 0.973 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933725308 611744816 /nfs/dbraw/zinc/74/48/16/611744816.db2.gz AWETWUHQJZBCFQ-TXEJJXNPSA-N 1 1 339.442 0.925 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933725308 611744818 /nfs/dbraw/zinc/74/48/18/611744818.db2.gz AWETWUHQJZBCFQ-TXEJJXNPSA-N 1 1 339.442 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)C1=O ZINC000933835190 611751919 /nfs/dbraw/zinc/75/19/19/611751919.db2.gz POOHSXUEUDGIJT-KBXCAEBGSA-N 1 1 336.432 0.944 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)C1=O ZINC000933835193 611752099 /nfs/dbraw/zinc/75/20/99/611752099.db2.gz POOHSXUEUDGIJT-RDTXWAMCSA-N 1 1 336.432 0.944 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)nn1 ZINC000947972582 611761108 /nfs/dbraw/zinc/76/11/08/611761108.db2.gz OPZHXEFYJUSJHK-UMVBOHGHSA-N 1 1 346.435 0.135 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(CNC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000948956168 611768647 /nfs/dbraw/zinc/76/86/47/611768647.db2.gz OJNLJDKMBPJKPN-AWEZNQCLSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cscn2)C1 ZINC000950645263 611814358 /nfs/dbraw/zinc/81/43/58/611814358.db2.gz QKQFKWGOJVBUNU-NFAWXSAZSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cscn2)C1 ZINC000950645263 611814362 /nfs/dbraw/zinc/81/43/62/611814362.db2.gz QKQFKWGOJVBUNU-NFAWXSAZSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccccn2)C1 ZINC000950645366 611814588 /nfs/dbraw/zinc/81/45/88/611814588.db2.gz SNNPUNSFSAZJGB-OIISXLGYSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccccn2)C1 ZINC000950645366 611814590 /nfs/dbraw/zinc/81/45/90/611814590.db2.gz SNNPUNSFSAZJGB-OIISXLGYSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccnn2C)C1 ZINC000950645414 611814739 /nfs/dbraw/zinc/81/47/39/611814739.db2.gz WFBXSTJUEJBXJP-FMKPAKJESA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccnn2C)C1 ZINC000950645414 611814740 /nfs/dbraw/zinc/81/47/40/611814740.db2.gz WFBXSTJUEJBXJP-FMKPAKJESA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC000950648387 611816668 /nfs/dbraw/zinc/81/66/68/611816668.db2.gz MNRSPMLTVBYKND-OIISXLGYSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC000950648387 611816671 /nfs/dbraw/zinc/81/66/71/611816671.db2.gz MNRSPMLTVBYKND-OIISXLGYSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cncn2C)C1 ZINC000950648559 611816824 /nfs/dbraw/zinc/81/68/24/611816824.db2.gz QMLOKALACBHRCZ-KFWWJZLASA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cncn2C)C1 ZINC000950648559 611816826 /nfs/dbraw/zinc/81/68/26/611816826.db2.gz QMLOKALACBHRCZ-KFWWJZLASA-N 1 1 343.431 0.094 20 30 ECEDMO C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO2 ZINC000949120796 611861686 /nfs/dbraw/zinc/86/16/86/611861686.db2.gz FJVUCGVXRLIODR-CQSZACIVSA-N 1 1 342.461 0.136 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccsn1 ZINC000950735039 611871190 /nfs/dbraw/zinc/87/11/90/611871190.db2.gz ZINHESWQTHHJLP-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccsn1 ZINC000950735039 611871191 /nfs/dbraw/zinc/87/11/91/611871191.db2.gz ZINHESWQTHHJLP-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1C ZINC000950755868 611891830 /nfs/dbraw/zinc/89/18/30/611891830.db2.gz WMRYOEACADMMLO-HOTGVXAUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1C ZINC000950755868 611891831 /nfs/dbraw/zinc/89/18/31/611891831.db2.gz WMRYOEACADMMLO-HOTGVXAUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000950196743 611901755 /nfs/dbraw/zinc/90/17/55/611901755.db2.gz CVYWVZIRQAHISD-CABCVRRESA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000950196743 611901756 /nfs/dbraw/zinc/90/17/56/611901756.db2.gz CVYWVZIRQAHISD-CABCVRRESA-N 1 1 343.431 0.239 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000950231939 611917083 /nfs/dbraw/zinc/91/70/83/611917083.db2.gz SOXPRNHVCAPUJS-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 ZINC000949343527 611945697 /nfs/dbraw/zinc/94/56/97/611945697.db2.gz GRVBUTMAHQIYRO-OAHLLOKOSA-N 1 1 331.420 0.556 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 ZINC000949343527 611945698 /nfs/dbraw/zinc/94/56/98/611945698.db2.gz GRVBUTMAHQIYRO-OAHLLOKOSA-N 1 1 331.420 0.556 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3COCCN3C)CC2)C1 ZINC000949343651 611945722 /nfs/dbraw/zinc/94/57/22/611945722.db2.gz MEXBKAMPILZWOA-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000950863240 611952150 /nfs/dbraw/zinc/95/21/50/611952150.db2.gz SGKGASIJMCOGID-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 ZINC000949391718 611962426 /nfs/dbraw/zinc/96/24/26/611962426.db2.gz SWIMMVRKRWXYIQ-OAHLLOKOSA-N 1 1 335.448 0.925 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000949394606 611963041 /nfs/dbraw/zinc/96/30/41/611963041.db2.gz XFDYEHFNGPBURS-GZBFAFLISA-N 1 1 336.436 0.220 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000949394606 611963043 /nfs/dbraw/zinc/96/30/43/611963043.db2.gz XFDYEHFNGPBURS-GZBFAFLISA-N 1 1 336.436 0.220 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC000949412560 611969833 /nfs/dbraw/zinc/96/98/33/611969833.db2.gz YTFASQRZXZQVBU-HNNXBMFYSA-N 1 1 335.448 0.925 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC000949412560 611969836 /nfs/dbraw/zinc/96/98/36/611969836.db2.gz YTFASQRZXZQVBU-HNNXBMFYSA-N 1 1 335.448 0.925 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1)C1CCC1 ZINC000949485237 611999166 /nfs/dbraw/zinc/99/91/66/611999166.db2.gz ASPWYNWAJAWEIK-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC000949517798 612018142 /nfs/dbraw/zinc/01/81/42/612018142.db2.gz DWOVCYUXUQIYJT-UHFFFAOYSA-N 1 1 346.431 0.759 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949520586 612019092 /nfs/dbraw/zinc/01/90/92/612019092.db2.gz ZZHXRSOOHYOHDR-QGZVFWFLSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949520586 612019093 /nfs/dbraw/zinc/01/90/93/612019093.db2.gz ZZHXRSOOHYOHDR-QGZVFWFLSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCN1CC[C@H](N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1=O ZINC000950502305 612042702 /nfs/dbraw/zinc/04/27/02/612042702.db2.gz PEUQAFTXEPNQGU-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000950517063 612049270 /nfs/dbraw/zinc/04/92/70/612049270.db2.gz GGBZUFQYAFQDDI-CQSZACIVSA-N 1 1 340.387 0.812 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950517006 612049287 /nfs/dbraw/zinc/04/92/87/612049287.db2.gz FBJDODXXBAYCJH-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H](C)C(=O)NC2CC2)C1 ZINC000950533171 612057711 /nfs/dbraw/zinc/05/77/11/612057711.db2.gz BSWODUKTAHPIQD-YOEHRIQHSA-N 1 1 346.475 0.284 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H](C)C(=O)NC2CC2)C1 ZINC000950533171 612057712 /nfs/dbraw/zinc/05/77/12/612057712.db2.gz BSWODUKTAHPIQD-YOEHRIQHSA-N 1 1 346.475 0.284 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H](C)C(=O)NC2CC2)C1 ZINC000950533170 612057770 /nfs/dbraw/zinc/05/77/70/612057770.db2.gz BSWODUKTAHPIQD-PBHICJAKSA-N 1 1 346.475 0.284 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H](C)C(=O)NC2CC2)C1 ZINC000950533170 612057771 /nfs/dbraw/zinc/05/77/71/612057771.db2.gz BSWODUKTAHPIQD-PBHICJAKSA-N 1 1 346.475 0.284 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2ccnn2C)C1 ZINC000950534030 612058024 /nfs/dbraw/zinc/05/80/24/612058024.db2.gz ODQIPJGIJUDFLX-KRWDZBQOSA-N 1 1 329.448 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2ccnn2C)C1 ZINC000950534030 612058025 /nfs/dbraw/zinc/05/80/25/612058025.db2.gz ODQIPJGIJUDFLX-KRWDZBQOSA-N 1 1 329.448 0.550 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2ccn(C)n2)C1 ZINC000950534101 612058120 /nfs/dbraw/zinc/05/81/20/612058120.db2.gz RYWKESMKPPWLAF-KRWDZBQOSA-N 1 1 329.448 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2ccn(C)n2)C1 ZINC000950534101 612058122 /nfs/dbraw/zinc/05/81/22/612058122.db2.gz RYWKESMKPPWLAF-KRWDZBQOSA-N 1 1 329.448 0.550 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@@H](C)C#N)C1 ZINC000952725402 612083913 /nfs/dbraw/zinc/08/39/13/612083913.db2.gz MVYGDPODTUCNQH-JONQDZQNSA-N 1 1 348.447 0.459 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@@H](C)C#N)C1 ZINC000952725402 612083914 /nfs/dbraw/zinc/08/39/14/612083914.db2.gz MVYGDPODTUCNQH-JONQDZQNSA-N 1 1 348.447 0.459 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2ccon2)C1 ZINC000951223557 612088629 /nfs/dbraw/zinc/08/86/29/612088629.db2.gz KMVJNMVONWMWGF-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2ccon2)C1 ZINC000951223557 612088630 /nfs/dbraw/zinc/08/86/30/612088630.db2.gz KMVJNMVONWMWGF-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000951224089 612088764 /nfs/dbraw/zinc/08/87/64/612088764.db2.gz XQZDUNNLUBPJPW-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000951224089 612088765 /nfs/dbraw/zinc/08/87/65/612088765.db2.gz XQZDUNNLUBPJPW-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC000951223798 612088796 /nfs/dbraw/zinc/08/87/96/612088796.db2.gz PZIJVVYVMXSMJY-SJORKVTESA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC000951223798 612088799 /nfs/dbraw/zinc/08/87/99/612088799.db2.gz PZIJVVYVMXSMJY-SJORKVTESA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2oncc2C)C1 ZINC000951897045 612119866 /nfs/dbraw/zinc/11/98/66/612119866.db2.gz KJVQYTVFBPGRNP-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2oncc2C)C1 ZINC000951897045 612119867 /nfs/dbraw/zinc/11/98/67/612119867.db2.gz KJVQYTVFBPGRNP-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000953131234 612173450 /nfs/dbraw/zinc/17/34/50/612173450.db2.gz UGKXORHCKGPRDZ-QFBILLFUSA-N 1 1 329.444 0.945 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC000953137780 612178213 /nfs/dbraw/zinc/17/82/13/612178213.db2.gz KVRDHBFDBVAXJN-LPHOPBHVSA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC000953137780 612178214 /nfs/dbraw/zinc/17/82/14/612178214.db2.gz KVRDHBFDBVAXJN-LPHOPBHVSA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC000952025137 612183883 /nfs/dbraw/zinc/18/38/83/612183883.db2.gz XHCNYGMQQAHGLR-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC000952025137 612183886 /nfs/dbraw/zinc/18/38/86/612183886.db2.gz XHCNYGMQQAHGLR-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCCC[N@@H+]2C)nc1 ZINC000951377009 612193363 /nfs/dbraw/zinc/19/33/63/612193363.db2.gz NQDIPLPARQKOPY-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cn2c[nH+]cc2C)nc1 ZINC000951377566 612193980 /nfs/dbraw/zinc/19/39/80/612193980.db2.gz BCNBLBGRLXKWOM-HNNXBMFYSA-N 1 1 337.383 0.599 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000951439811 612234353 /nfs/dbraw/zinc/23/43/53/612234353.db2.gz QMPLLTHEEPFLKO-IAGOWNOFSA-N 1 1 325.412 0.950 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1c[nH+]cc1C ZINC000952177756 612265300 /nfs/dbraw/zinc/26/53/00/612265300.db2.gz MBSPSTDPMITCJP-KFWWJZLASA-N 1 1 332.404 0.500 20 30 ECEDMO CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CN(C(=O)C#CC2CC2)C1 ZINC000955119987 612281877 /nfs/dbraw/zinc/28/18/77/612281877.db2.gz DQOTVGDPKNLWHM-UHFFFAOYSA-N 1 1 349.394 0.964 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000953904512 612418252 /nfs/dbraw/zinc/41/82/52/612418252.db2.gz DSFZWRLRIQXHIE-INIZCTEOSA-N 1 1 326.400 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC000952470648 612449226 /nfs/dbraw/zinc/44/92/26/612449226.db2.gz PNPGLLJPEKDZQZ-RDBSUJKOSA-N 1 1 339.386 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C(F)F ZINC000952470648 612449228 /nfs/dbraw/zinc/44/92/28/612449228.db2.gz PNPGLLJPEKDZQZ-RDBSUJKOSA-N 1 1 339.386 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CCOC2)C1 ZINC000954630393 612466874 /nfs/dbraw/zinc/46/68/74/612466874.db2.gz DXQDUNWSHCHVTL-HOCLYGCPSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CCOC2)C1 ZINC000954630393 612466879 /nfs/dbraw/zinc/46/68/79/612466879.db2.gz DXQDUNWSHCHVTL-HOCLYGCPSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cccn2CC)C1 ZINC000954630383 612467060 /nfs/dbraw/zinc/46/70/60/612467060.db2.gz ABOISTMNDIWWPH-INIZCTEOSA-N 1 1 342.443 0.888 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cccn2CC)C1 ZINC000954630383 612467063 /nfs/dbraw/zinc/46/70/63/612467063.db2.gz ABOISTMNDIWWPH-INIZCTEOSA-N 1 1 342.443 0.888 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cccnc2C)C1 ZINC000954630374 612467409 /nfs/dbraw/zinc/46/74/09/612467409.db2.gz DFROPPCEEGYMEL-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cccnc2C)C1 ZINC000954630374 612467412 /nfs/dbraw/zinc/46/74/12/612467412.db2.gz DFROPPCEEGYMEL-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000954630657 612467855 /nfs/dbraw/zinc/46/78/55/612467855.db2.gz GJRPNWMAJSIPSF-IJDCCNJMSA-N 1 1 340.427 0.795 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000954630657 612467859 /nfs/dbraw/zinc/46/78/59/612467859.db2.gz GJRPNWMAJSIPSF-IJDCCNJMSA-N 1 1 340.427 0.795 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnnc(C)c2)C1 ZINC000954630676 612468193 /nfs/dbraw/zinc/46/81/93/612468193.db2.gz GPJWFWFVVVJTEK-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnnc(C)c2)C1 ZINC000954630676 612468197 /nfs/dbraw/zinc/46/81/97/612468197.db2.gz GPJWFWFVVVJTEK-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nc(C)oc2C)C1 ZINC000954630804 612468218 /nfs/dbraw/zinc/46/82/18/612468218.db2.gz KJNXQURTGIGDPS-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nc(C)oc2C)C1 ZINC000954630804 612468222 /nfs/dbraw/zinc/46/82/22/612468222.db2.gz KJNXQURTGIGDPS-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2ccco2)C1 ZINC000954630863 612468323 /nfs/dbraw/zinc/46/83/23/612468323.db2.gz MVYQAOLMZAEIKP-INIZCTEOSA-N 1 1 329.400 0.589 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2ccco2)C1 ZINC000954630863 612468328 /nfs/dbraw/zinc/46/83/28/612468328.db2.gz MVYQAOLMZAEIKP-INIZCTEOSA-N 1 1 329.400 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000954631258 612469412 /nfs/dbraw/zinc/46/94/12/612469412.db2.gz TUJWLSSRZOCZEP-HNNXBMFYSA-N 1 1 343.431 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000954631258 612469416 /nfs/dbraw/zinc/46/94/16/612469416.db2.gz TUJWLSSRZOCZEP-HNNXBMFYSA-N 1 1 343.431 0.407 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nccs2)C1 ZINC000954631255 612469471 /nfs/dbraw/zinc/46/94/71/612469471.db2.gz SXAXHCJODKDXAI-ZDUSSCGKSA-N 1 1 332.429 0.524 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nccs2)C1 ZINC000954631255 612469472 /nfs/dbraw/zinc/46/94/72/612469472.db2.gz SXAXHCJODKDXAI-ZDUSSCGKSA-N 1 1 332.429 0.524 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)sn2)C1 ZINC000954631106 612469551 /nfs/dbraw/zinc/46/95/51/612469551.db2.gz PAVZISYHMNMSQN-HNNXBMFYSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)sn2)C1 ZINC000954631106 612469554 /nfs/dbraw/zinc/46/95/54/612469554.db2.gz PAVZISYHMNMSQN-HNNXBMFYSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000954631466 612470170 /nfs/dbraw/zinc/47/01/70/612470170.db2.gz YCKZIPFUOSCWKY-IKGGRYGDSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000954631466 612470175 /nfs/dbraw/zinc/47/01/75/612470175.db2.gz YCKZIPFUOSCWKY-IKGGRYGDSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC000954631601 612470396 /nfs/dbraw/zinc/47/03/96/612470396.db2.gz ZNMHSMZSKBQLFD-YPMHNXCESA-N 1 1 345.365 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC000954631601 612470399 /nfs/dbraw/zinc/47/03/99/612470399.db2.gz ZNMHSMZSKBQLFD-YPMHNXCESA-N 1 1 345.365 0.952 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000953958701 612496353 /nfs/dbraw/zinc/49/63/53/612496353.db2.gz LLSVMTWXBWBPCV-AWEZNQCLSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000951720191 612504415 /nfs/dbraw/zinc/50/44/15/612504415.db2.gz ABJMRSYFFZBHAK-HEHGZKQESA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000956774686 612511781 /nfs/dbraw/zinc/51/17/81/612511781.db2.gz DXWLBIUKHXZWTQ-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000956776917 612518061 /nfs/dbraw/zinc/51/80/61/612518061.db2.gz RLNQYAYIXXRQMD-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)nc1 ZINC000954710425 612581807 /nfs/dbraw/zinc/58/18/07/612581807.db2.gz SNTZVHYCDLYIPJ-QGZVFWFLSA-N 1 1 340.427 0.830 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)no1 ZINC000956004283 612596245 /nfs/dbraw/zinc/59/62/45/612596245.db2.gz SZAIFZCOHXTNHA-AWEZNQCLSA-N 1 1 344.415 0.870 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956837250 612607735 /nfs/dbraw/zinc/60/77/35/612607735.db2.gz IQOHWYLIOHQXQD-ACJLOTCBSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2coc(C)n2)C1 ZINC000956855507 612639980 /nfs/dbraw/zinc/63/99/80/612639980.db2.gz JXWDWKUURXNBNA-YJBOKZPZSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2coc(C)n2)C1 ZINC000956855507 612639982 /nfs/dbraw/zinc/63/99/82/612639982.db2.gz JXWDWKUURXNBNA-YJBOKZPZSA-N 1 1 344.415 0.801 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000954088500 612647145 /nfs/dbraw/zinc/64/71/45/612647145.db2.gz ODUJCOWIYCUHRN-GOEBONIOSA-N 1 1 343.431 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000956072704 612676559 /nfs/dbraw/zinc/67/65/59/612676559.db2.gz HEAMADDOBSAMQX-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000956072704 612676560 /nfs/dbraw/zinc/67/65/60/612676560.db2.gz HEAMADDOBSAMQX-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2cscn2)C1 ZINC000954301726 612836555 /nfs/dbraw/zinc/83/65/55/612836555.db2.gz ITSVWMOADGCFQZ-HNNXBMFYSA-N 1 1 346.456 0.452 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2cscn2)C1 ZINC000954301726 612836559 /nfs/dbraw/zinc/83/65/59/612836559.db2.gz ITSVWMOADGCFQZ-HNNXBMFYSA-N 1 1 346.456 0.452 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)C#CC3CC3)CC2)O1 ZINC000956414634 612874077 /nfs/dbraw/zinc/87/40/77/612874077.db2.gz XGUULQFTMCJAFJ-GDBMZVCRSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CCN(C(=O)C#CC3CC3)CC2)O1 ZINC000956414634 612874078 /nfs/dbraw/zinc/87/40/78/612874078.db2.gz XGUULQFTMCJAFJ-GDBMZVCRSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000955077420 612885546 /nfs/dbraw/zinc/88/55/46/612885546.db2.gz CJBUKNBUBOOEKM-OAHLLOKOSA-N 1 1 337.464 0.977 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000955077420 612885547 /nfs/dbraw/zinc/88/55/47/612885547.db2.gz CJBUKNBUBOOEKM-OAHLLOKOSA-N 1 1 337.464 0.977 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000954412093 612896870 /nfs/dbraw/zinc/89/68/70/612896870.db2.gz ATHQTVNABJZYBF-GOEBONIOSA-N 1 1 343.431 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cnccn2)C1 ZINC000956661341 612928957 /nfs/dbraw/zinc/92/89/57/612928957.db2.gz MSTKGNYVKYSFQN-YJBOKZPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cnccn2)C1 ZINC000956661341 612928958 /nfs/dbraw/zinc/92/89/58/612928958.db2.gz MSTKGNYVKYSFQN-YJBOKZPZSA-N 1 1 341.415 0.295 20 30 ECEDMO Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(C#N)n1 ZINC001164739874 720748142 /nfs/dbraw/zinc/74/81/42/720748142.db2.gz JEFJDZSLFCLZKH-KBPBESRZSA-N 1 1 337.387 0.789 20 30 ECEDMO CCN(CCNC(=O)CC[NH+]1CCOCC1)c1ccc(C#N)cn1 ZINC001100561543 735351096 /nfs/dbraw/zinc/35/10/96/735351096.db2.gz CBHOQGSISJLNRT-UHFFFAOYSA-N 1 1 331.420 0.618 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)Nc2ccc(C#N)cn2)C1 ZINC001098215868 735376950 /nfs/dbraw/zinc/37/69/50/735376950.db2.gz XRMGTFRRWMPBRK-UKRRQHHQSA-N 1 1 331.420 0.979 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccnc4nc(C)nn43)C2)C1 ZINC001041787224 782206522 /nfs/dbraw/zinc/20/65/22/782206522.db2.gz XPGLTNXVNHRZQF-GOSISDBHSA-N 1 1 338.415 0.994 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3ccon3)C(C)(C)C2)C1=O ZINC000972975268 738460073 /nfs/dbraw/zinc/46/00/73/738460073.db2.gz IVGOYQIZYNFGES-LSDHHAIUSA-N 1 1 346.431 0.831 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3ccon3)C(C)(C)C2)C1=O ZINC000972975268 738460075 /nfs/dbraw/zinc/46/00/75/738460075.db2.gz IVGOYQIZYNFGES-LSDHHAIUSA-N 1 1 346.431 0.831 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)CC1=O ZINC001038319411 738481555 /nfs/dbraw/zinc/48/15/55/738481555.db2.gz XUOLREFNVWLXJZ-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)CC1=O ZINC001038319411 738481556 /nfs/dbraw/zinc/48/15/56/738481556.db2.gz XUOLREFNVWLXJZ-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069974487 790267008 /nfs/dbraw/zinc/26/70/08/790267008.db2.gz AAARMTHISLAAPM-CVEARBPZSA-N 1 1 341.419 0.156 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@H+]2CC(=O)NC)cn1 ZINC000969121245 731492633 /nfs/dbraw/zinc/49/26/33/731492633.db2.gz FMXMAHXCLPCCKJ-INIZCTEOSA-N 1 1 328.416 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(=O)NC)cn1 ZINC000969121245 731492637 /nfs/dbraw/zinc/49/26/37/731492637.db2.gz FMXMAHXCLPCCKJ-INIZCTEOSA-N 1 1 328.416 0.783 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCNc1ccnc(C#N)n1 ZINC001114947134 731556868 /nfs/dbraw/zinc/55/68/68/731556868.db2.gz ZORBCLWBRDSHNW-LBPRGKRZSA-N 1 1 327.392 0.672 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccccn3)C2)C1=O ZINC000969199137 731585842 /nfs/dbraw/zinc/58/58/42/731585842.db2.gz MYKUDMOJXMHKTO-BBRMVZONSA-N 1 1 328.416 0.919 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cccn2C)C1 ZINC000972999798 738529607 /nfs/dbraw/zinc/52/96/07/738529607.db2.gz HKXAHOUNILERMQ-DZKIICNBSA-N 1 1 328.416 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cccn2C)C1 ZINC000972999798 738529608 /nfs/dbraw/zinc/52/96/08/738529608.db2.gz HKXAHOUNILERMQ-DZKIICNBSA-N 1 1 328.416 0.500 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@]2(CC[N@H+](CC(=O)NC)C2)C1 ZINC001041805163 782237895 /nfs/dbraw/zinc/23/78/95/782237895.db2.gz HMOCQDKAGLPARI-HXUWFJFHSA-N 1 1 339.439 0.881 20 30 ECEDMO C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001041808220 782243930 /nfs/dbraw/zinc/24/39/30/782243930.db2.gz APPAFYRFLXBUDI-XNRPHZJLSA-N 1 1 329.404 0.225 20 30 ECEDMO C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001041808220 782243938 /nfs/dbraw/zinc/24/39/38/782243938.db2.gz APPAFYRFLXBUDI-XNRPHZJLSA-N 1 1 329.404 0.225 20 30 ECEDMO CC(C)N1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000969467728 731917416 /nfs/dbraw/zinc/91/74/16/731917416.db2.gz XPIXLEIMVZWETN-MLGOLLRUSA-N 1 1 343.431 0.946 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cncnc3)C2)C1=O ZINC000969539473 731955442 /nfs/dbraw/zinc/95/54/42/731955442.db2.gz OFFRJKZVABERNT-SWLSCSKDSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cnn(CC)n3)C2)C1=O ZINC000969624835 732007109 /nfs/dbraw/zinc/00/71/09/732007109.db2.gz NQTROLGMFHZFSY-DOMZBBRYSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccc(C)nn3)C2)C1=O ZINC000969655371 732026294 /nfs/dbraw/zinc/02/62/94/732026294.db2.gz WVVSXEUWDBMNJU-CZUORRHYSA-N 1 1 343.431 0.622 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046145 738577942 /nfs/dbraw/zinc/57/79/42/738577942.db2.gz APOKUXPTFOCWQG-ABAIWWIYSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046145 738577945 /nfs/dbraw/zinc/57/79/45/738577945.db2.gz APOKUXPTFOCWQG-ABAIWWIYSA-N 1 1 343.431 0.994 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cncnc2C)C1 ZINC000973053330 738589312 /nfs/dbraw/zinc/58/93/12/738589312.db2.gz JBZGLBXEWAARQQ-DZKIICNBSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cncnc2C)C1 ZINC000973053330 738589315 /nfs/dbraw/zinc/58/93/15/738589315.db2.gz JBZGLBXEWAARQQ-DZKIICNBSA-N 1 1 341.415 0.260 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CN(C)c2ccncc2C#N)CC[N@H+]1C ZINC001125304897 732327230 /nfs/dbraw/zinc/32/72/30/732327230.db2.gz FJUPBZXJMUCYFC-VNQPRFMTSA-N 1 1 345.447 0.549 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)c2nocc2C)CC1 ZINC001098524977 732360375 /nfs/dbraw/zinc/36/03/75/732360375.db2.gz XXTOIPBNMLWODJ-UHFFFAOYSA-N 1 1 335.404 0.532 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cn(CC)nn2)C1 ZINC000969866565 732465224 /nfs/dbraw/zinc/46/52/24/732465224.db2.gz YHVZJXSTAXUZLS-PBHICJAKSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cn(CC)nn2)C1 ZINC000969866565 732465227 /nfs/dbraw/zinc/46/52/27/732465227.db2.gz YHVZJXSTAXUZLS-PBHICJAKSA-N 1 1 344.463 0.332 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001041816642 782262089 /nfs/dbraw/zinc/26/20/89/782262089.db2.gz PLXIUSBPDUFVJP-GOSISDBHSA-N 1 1 348.447 0.817 20 30 ECEDMO C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)CCNC1=O ZINC000969933231 732532084 /nfs/dbraw/zinc/53/20/84/732532084.db2.gz GUCUNHUAFGFENK-QAPCUYQASA-N 1 1 344.390 0.914 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC000970016561 732622882 /nfs/dbraw/zinc/62/28/82/732622882.db2.gz BQVYHQALWLXHSE-KFWWJZLASA-N 1 1 345.447 0.974 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC000970015145 732626988 /nfs/dbraw/zinc/62/69/88/732626988.db2.gz PRYDWOHZLDMNFI-MCIONIFRSA-N 1 1 334.424 0.536 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC001041820844 782269376 /nfs/dbraw/zinc/26/93/76/782269376.db2.gz ZDECICMKKDSWFJ-KRWDZBQOSA-N 1 1 334.420 0.381 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC000970025915 732641439 /nfs/dbraw/zinc/64/14/39/732641439.db2.gz ANVIEWQXDKVJKQ-BLLLJJGKSA-N 1 1 345.447 0.809 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001025090714 738632538 /nfs/dbraw/zinc/63/25/38/738632538.db2.gz PLYVWLAUEVZUNA-OAGGEKHMSA-N 1 1 333.436 0.877 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001125320589 732957585 /nfs/dbraw/zinc/95/75/85/732957585.db2.gz JNQFQWHFMPQOEG-CQSZACIVSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C)n1 ZINC001125327258 733047488 /nfs/dbraw/zinc/04/74/88/733047488.db2.gz JUPGLAZJLZRFQB-HOTGVXAUSA-N 1 1 345.447 0.138 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C)n1 ZINC001125327258 733047490 /nfs/dbraw/zinc/04/74/90/733047490.db2.gz JUPGLAZJLZRFQB-HOTGVXAUSA-N 1 1 345.447 0.138 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nnc(C)n4C3)C2)C1 ZINC001041842192 782321426 /nfs/dbraw/zinc/32/14/26/782321426.db2.gz COBXVTYBWSBFCT-YJBOKZPZSA-N 1 1 327.432 0.707 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nnc(C)n4C3)C2)C1 ZINC001041842190 782322022 /nfs/dbraw/zinc/32/20/22/782322022.db2.gz COBXVTYBWSBFCT-MAUKXSAKSA-N 1 1 327.432 0.707 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC001041843665 782324910 /nfs/dbraw/zinc/32/49/10/782324910.db2.gz VFJTXNQCOOTPPA-YJBOKZPZSA-N 1 1 327.432 0.788 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3oc2=O)C1 ZINC001078117791 782327267 /nfs/dbraw/zinc/32/72/67/782327267.db2.gz PDBKUPSQCVJQFD-HUUCEWRRSA-N 1 1 326.352 0.591 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3oc2=O)C1 ZINC001078117791 782327273 /nfs/dbraw/zinc/32/72/73/782327273.db2.gz PDBKUPSQCVJQFD-HUUCEWRRSA-N 1 1 326.352 0.591 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3csnn3)C2)C1=O ZINC000970224917 733235696 /nfs/dbraw/zinc/23/56/96/733235696.db2.gz BGCISUQMXUVQBM-GXFFZTMASA-N 1 1 335.433 0.375 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCN(C)C1=O)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970292404 733319317 /nfs/dbraw/zinc/31/93/17/733319317.db2.gz LLJJTSMPZFHBQE-QAPCUYQASA-N 1 1 339.439 0.953 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)C[C@@H](C)OC)CC2)nc1 ZINC001098536553 733342600 /nfs/dbraw/zinc/34/26/00/733342600.db2.gz LPIHVQYVKXUJRX-OAHLLOKOSA-N 1 1 345.443 0.997 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cnc(C)n3C)C2)C1=O ZINC000970332181 733357441 /nfs/dbraw/zinc/35/74/41/733357441.db2.gz REZUQLGZZHZWMG-WFASDCNBSA-N 1 1 345.447 0.566 20 30 ECEDMO Cc1cc(Nc2cc(N3CC[NH+](CCO)CC3)ncn2)cnc1C#N ZINC001210203535 733427805 /nfs/dbraw/zinc/42/78/05/733427805.db2.gz FJHLWFQGMMAYGT-UHFFFAOYSA-N 1 1 339.403 0.910 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC001041855147 782344076 /nfs/dbraw/zinc/34/40/76/782344076.db2.gz GMEMSMMUIARXPA-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3oncc3C)C2)C1=O ZINC000970680647 733817697 /nfs/dbraw/zinc/81/76/97/733817697.db2.gz AVNPMCDVVLKZFK-OCCSQVGLSA-N 1 1 332.404 0.820 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC000970754011 733910738 /nfs/dbraw/zinc/91/07/38/733910738.db2.gz OIRQDGJTHXYVLD-OLZOCXBDSA-N 1 1 340.427 0.780 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970760091 733917675 /nfs/dbraw/zinc/91/76/75/733917675.db2.gz LMGNCMVCEQURLZ-DYVFJYSZSA-N 1 1 343.402 0.892 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC000970766575 733924405 /nfs/dbraw/zinc/92/44/05/733924405.db2.gz MGUOSALIQPXRDN-OLZOCXBDSA-N 1 1 328.416 0.590 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001078157244 782397127 /nfs/dbraw/zinc/39/71/27/782397127.db2.gz UBVPFSYGHVYIQO-HUUCEWRRSA-N 1 1 332.404 0.206 20 30 ECEDMO Cc1nc(N2CCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2)ccc1C#N ZINC001104318268 734278162 /nfs/dbraw/zinc/27/81/62/734278162.db2.gz FEHMKAJPHPJDFG-INIZCTEOSA-N 1 1 345.447 0.923 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(c3ccc(C#N)nn3)CCO2)C1 ZINC001104321431 734296450 /nfs/dbraw/zinc/29/64/50/734296450.db2.gz FAXUBHUFPLKKIY-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(c3ccc(C#N)nc3)CCO2)C1 ZINC001104322148 734299644 /nfs/dbraw/zinc/29/96/44/734299644.db2.gz WKMJUULAIYZOEB-WMLDXEAASA-N 1 1 343.431 0.616 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 ZINC001104323140 734302097 /nfs/dbraw/zinc/30/20/97/734302097.db2.gz JKSFTTGGLWHVPK-HNNXBMFYSA-N 1 1 346.435 0.402 20 30 ECEDMO NC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC#Cc1ccccc1)C2 ZINC001111585277 734354692 /nfs/dbraw/zinc/35/46/92/734354692.db2.gz MWULFUKDTQMXFQ-LPHOPBHVSA-N 1 1 340.427 0.677 20 30 ECEDMO C=C(Br)CN(C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971271166 734414879 /nfs/dbraw/zinc/41/48/79/734414879.db2.gz KWJYWPAHEANOFH-CHWSQXEVSA-N 1 1 346.269 0.758 20 30 ECEDMO C=C(Br)CN(C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971271166 734414881 /nfs/dbraw/zinc/41/48/81/734414881.db2.gz KWJYWPAHEANOFH-CHWSQXEVSA-N 1 1 346.269 0.758 20 30 ECEDMO C[N@@H+](C[C@@H]1CCc2ncnn21)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971287902 734421537 /nfs/dbraw/zinc/42/15/37/734421537.db2.gz HDFWALWKSSQDIC-KGLIPLIRSA-N 1 1 339.403 0.812 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cncnc2C2CC2)CC1 ZINC001098550591 734457853 /nfs/dbraw/zinc/45/78/53/734457853.db2.gz VZMJANRHFDWQPO-UHFFFAOYSA-N 1 1 328.416 0.886 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3ccc(C#N)nc3)CCO2)C1 ZINC001104350552 734528006 /nfs/dbraw/zinc/52/80/06/734528006.db2.gz ZKXODRREVWMNBF-RHSMWYFYSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078174840 782430730 /nfs/dbraw/zinc/43/07/30/782430730.db2.gz UNPTXOJBJULQML-BRWVUGGUSA-N 1 1 328.416 0.171 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451595 734609515 /nfs/dbraw/zinc/60/95/15/734609515.db2.gz LTBRQKVDSQUTPK-UKRRQHHQSA-N 1 1 346.362 0.838 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078174588 782429227 /nfs/dbraw/zinc/42/92/27/782429227.db2.gz PVMUDOWHDOZTJK-NILFDRSVSA-N 1 1 334.445 0.233 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CN=NC1=O ZINC001025224564 738835322 /nfs/dbraw/zinc/83/53/22/738835322.db2.gz RJIUOPWUYCBGIB-HUUCEWRRSA-N 1 1 331.420 0.853 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)C1 ZINC000949536713 734698574 /nfs/dbraw/zinc/69/85/74/734698574.db2.gz IYDRQLGGFKKMTE-HNNXBMFYSA-N 1 1 348.447 0.246 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H](n2ccnn2)C1 ZINC001069987140 790281718 /nfs/dbraw/zinc/28/17/18/790281718.db2.gz SIHURUCMTPHPMH-CABCVRRESA-N 1 1 344.423 0.050 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H](n2ccnn2)C1 ZINC001069987140 790281725 /nfs/dbraw/zinc/28/17/25/790281725.db2.gz SIHURUCMTPHPMH-CABCVRRESA-N 1 1 344.423 0.050 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC1CC1 ZINC001111489684 734963756 /nfs/dbraw/zinc/96/37/56/734963756.db2.gz ICTFIBAAVWDFFZ-XZDPQHSOSA-N 1 1 335.448 0.968 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC1CC1 ZINC001111489684 734963760 /nfs/dbraw/zinc/96/37/60/734963760.db2.gz ICTFIBAAVWDFFZ-XZDPQHSOSA-N 1 1 335.448 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ncnn2CC)C1 ZINC000971703974 734965587 /nfs/dbraw/zinc/96/55/87/734965587.db2.gz ODGZKWRUQYSKSF-CVEARBPZSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ncnn2CC)C1 ZINC000971703974 734965588 /nfs/dbraw/zinc/96/55/88/734965588.db2.gz ODGZKWRUQYSKSF-CVEARBPZSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1 ZINC001098556066 735070013 /nfs/dbraw/zinc/07/00/13/735070013.db2.gz DSMFQMOSIMIMON-UHFFFAOYSA-N 1 1 349.475 0.554 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)c2nccnc2C(N)=O)CC1 ZINC001098556494 735093380 /nfs/dbraw/zinc/09/33/80/735093380.db2.gz STNPTBYLPQQQFV-UHFFFAOYSA-N 1 1 347.419 0.051 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCC(=O)NC3=O)C2)cc1 ZINC000972058548 735593937 /nfs/dbraw/zinc/59/39/37/735593937.db2.gz KKQWZQNMQVNXFT-CVEARBPZSA-N 1 1 339.395 0.619 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCN2CCCS2(=O)=O)C1 ZINC000972081637 735622989 /nfs/dbraw/zinc/62/29/89/735622989.db2.gz HTLRXTDYUZHYKC-CQSZACIVSA-N 1 1 343.493 0.767 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCN2CCCS2(=O)=O)C1 ZINC000972081637 735622992 /nfs/dbraw/zinc/62/29/92/735622992.db2.gz HTLRXTDYUZHYKC-CQSZACIVSA-N 1 1 343.493 0.767 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000972086852 735626589 /nfs/dbraw/zinc/62/65/89/735626589.db2.gz ZGVGXDISWXJCOS-USXIJHARSA-N 1 1 329.444 0.943 20 30 ECEDMO CCCSCC(=O)NC[C@@H]1C[N@H+](CC#CCOC)CCCO1 ZINC001149263099 735646017 /nfs/dbraw/zinc/64/60/17/735646017.db2.gz KTQPPKJESFBEPJ-OAHLLOKOSA-N 1 1 328.478 0.987 20 30 ECEDMO CCCSCC(=O)NC[C@@H]1C[N@@H+](CC#CCOC)CCCO1 ZINC001149263099 735646019 /nfs/dbraw/zinc/64/60/19/735646019.db2.gz KTQPPKJESFBEPJ-OAHLLOKOSA-N 1 1 328.478 0.987 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972205251 735782626 /nfs/dbraw/zinc/78/26/26/735782626.db2.gz CTBCFCBIEJLCJD-DZGCQCFKSA-N 1 1 345.378 0.411 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC001098566589 735841893 /nfs/dbraw/zinc/84/18/93/735841893.db2.gz CSGDDBAVVDKASB-OAHLLOKOSA-N 1 1 344.459 0.823 20 30 ECEDMO CCn1cc(CC[N@@H+]2CCO[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)cn1 ZINC000972297648 735907297 /nfs/dbraw/zinc/90/72/97/735907297.db2.gz KPJWWGQIHCMGDP-YJBOKZPZSA-N 1 1 345.447 0.908 20 30 ECEDMO CCn1cc(CC[N@H+]2CCO[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)cn1 ZINC000972297648 735907298 /nfs/dbraw/zinc/90/72/98/735907298.db2.gz KPJWWGQIHCMGDP-YJBOKZPZSA-N 1 1 345.447 0.908 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)CCc2ccc(C(N)=O)cc2)[C@H](OC)C1 ZINC001213162066 735908770 /nfs/dbraw/zinc/90/87/70/735908770.db2.gz FSLHJFBGVHDWNN-HZPDHXFCSA-N 1 1 329.400 0.167 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)CCc2ccc(C(N)=O)cc2)[C@H](OC)C1 ZINC001213162066 735908774 /nfs/dbraw/zinc/90/87/74/735908774.db2.gz FSLHJFBGVHDWNN-HZPDHXFCSA-N 1 1 329.400 0.167 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC000972349449 735986395 /nfs/dbraw/zinc/98/63/95/735986395.db2.gz ZAANRRUOXUJCRY-SJLPKXTDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC000972349447 735986553 /nfs/dbraw/zinc/98/65/53/735986553.db2.gz ZAANRRUOXUJCRY-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4n[nH]nc4C3)[C@H]2C1 ZINC001083247117 735988258 /nfs/dbraw/zinc/98/82/58/735988258.db2.gz BHASBTNUJBCUKA-RRQGHBQHSA-N 1 1 345.447 0.787 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4[nH]nnc4C3)[C@H]2C1 ZINC001083247117 735988260 /nfs/dbraw/zinc/98/82/60/735988260.db2.gz BHASBTNUJBCUKA-RRQGHBQHSA-N 1 1 345.447 0.787 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4[nH]nnc4C3)[C@H]2C1 ZINC001083247117 735988263 /nfs/dbraw/zinc/98/82/63/735988263.db2.gz BHASBTNUJBCUKA-RRQGHBQHSA-N 1 1 345.447 0.787 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@H]2C1 ZINC001083247117 735988265 /nfs/dbraw/zinc/98/82/65/735988265.db2.gz BHASBTNUJBCUKA-RRQGHBQHSA-N 1 1 345.447 0.787 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@H]2C1 ZINC001083247117 735988267 /nfs/dbraw/zinc/98/82/67/735988267.db2.gz BHASBTNUJBCUKA-RRQGHBQHSA-N 1 1 345.447 0.787 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3nc(C)ccc3C#N)C2)C1 ZINC001058909116 751365779 /nfs/dbraw/zinc/36/57/79/751365779.db2.gz WHWTZVBYUARXCR-HOTGVXAUSA-N 1 1 343.431 0.995 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3nc(C)ccc3C#N)C2)C1 ZINC001058909116 751365785 /nfs/dbraw/zinc/36/57/85/751365785.db2.gz WHWTZVBYUARXCR-HOTGVXAUSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 ZINC000972387037 736052425 /nfs/dbraw/zinc/05/24/25/736052425.db2.gz KFTXQKLEEXCODD-RKVPGOIHSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 ZINC000972387037 736052431 /nfs/dbraw/zinc/05/24/31/736052431.db2.gz KFTXQKLEEXCODD-RKVPGOIHSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C4CCC4)nn3)C2)C1 ZINC000972387772 736059609 /nfs/dbraw/zinc/05/96/09/736059609.db2.gz XOSSIQUGBQKVOQ-SFHVURJKSA-N 1 1 343.431 0.943 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C4CCC4)nn3)C2)C1 ZINC000972387772 736059610 /nfs/dbraw/zinc/05/96/10/736059610.db2.gz XOSSIQUGBQKVOQ-SFHVURJKSA-N 1 1 343.431 0.943 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001041966206 782507770 /nfs/dbraw/zinc/50/77/70/782507770.db2.gz GPFQDWGXBWDNJC-UHFFFAOYSA-N 1 1 334.420 0.662 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cc(OC)no3)C2)C1 ZINC000972396591 736120860 /nfs/dbraw/zinc/12/08/60/736120860.db2.gz AKWLVVDEVCQFTR-SFHVURJKSA-N 1 1 347.415 0.942 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cc(OC)no3)C2)C1 ZINC000972396591 736120863 /nfs/dbraw/zinc/12/08/63/736120863.db2.gz AKWLVVDEVCQFTR-SFHVURJKSA-N 1 1 347.415 0.942 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CNC(=O)c2ccccn2)CC1 ZINC001098570907 736136378 /nfs/dbraw/zinc/13/63/78/736136378.db2.gz JMHIFAAROVEDRY-UHFFFAOYSA-N 1 1 346.431 0.283 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000972410755 736144296 /nfs/dbraw/zinc/14/42/96/736144296.db2.gz UODQQHOFQUZPOK-MAUKXSAKSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](OC)C1 ZINC001213164495 736149684 /nfs/dbraw/zinc/14/96/84/736149684.db2.gz WOSGSMIHWGCARX-CZUORRHYSA-N 1 1 335.404 0.779 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnn3CCOC)C2)C1 ZINC000972427825 736174234 /nfs/dbraw/zinc/17/42/34/736174234.db2.gz BZWVPZLEMUNSDS-SFHVURJKSA-N 1 1 346.431 0.470 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnn3CCOC)C2)C1 ZINC000972427825 736174237 /nfs/dbraw/zinc/17/42/37/736174237.db2.gz BZWVPZLEMUNSDS-SFHVURJKSA-N 1 1 346.431 0.470 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972437863 736193371 /nfs/dbraw/zinc/19/33/71/736193371.db2.gz MIGWPUPWPAETQL-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3ccnc4c3nnn4C)C2)C1 ZINC000981965587 751366922 /nfs/dbraw/zinc/36/69/22/751366922.db2.gz YPIVBQQFWFLIEQ-UHFFFAOYSA-N 1 1 338.415 0.925 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001078226796 782522138 /nfs/dbraw/zinc/52/21/38/782522138.db2.gz TYYPGNGXSGOQBS-ZIAGYGMSSA-N 1 1 339.461 0.654 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 ZINC000972481067 736309954 /nfs/dbraw/zinc/30/99/54/736309954.db2.gz XLHQVRUSONZOJD-CRAIPNDOSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 ZINC000972481067 736309959 /nfs/dbraw/zinc/30/99/59/736309959.db2.gz XLHQVRUSONZOJD-CRAIPNDOSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cn(C)nc3C)C2)nn1 ZINC000972500241 736421321 /nfs/dbraw/zinc/42/13/21/736421321.db2.gz JAVNTKHVHKDFTP-HNNXBMFYSA-N 1 1 343.435 0.853 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ncccc3OC)C2)C1 ZINC000972517085 736528081 /nfs/dbraw/zinc/52/80/81/736528081.db2.gz AEWDQWINPHXKCA-IBGZPJMESA-N 1 1 343.427 0.959 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ncccc3OC)C2)C1 ZINC000972517085 736528085 /nfs/dbraw/zinc/52/80/85/736528085.db2.gz AEWDQWINPHXKCA-IBGZPJMESA-N 1 1 343.427 0.959 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972523249 736563223 /nfs/dbraw/zinc/56/32/23/736563223.db2.gz HIPCYRUUSPXRNL-KRWDZBQOSA-N 1 1 334.420 0.678 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972523249 736563224 /nfs/dbraw/zinc/56/32/24/736563224.db2.gz HIPCYRUUSPXRNL-KRWDZBQOSA-N 1 1 334.420 0.678 20 30 ECEDMO C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001039575998 736578459 /nfs/dbraw/zinc/57/84/59/736578459.db2.gz JOVRESCPDASGMH-QAPCUYQASA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001023277262 736639041 /nfs/dbraw/zinc/63/90/41/736639041.db2.gz LTHWAHHHZCSYAJ-HOCLYGCPSA-N 1 1 345.447 0.947 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCC(=O)N3)[C@H]2C1 ZINC001083259487 736645683 /nfs/dbraw/zinc/64/56/83/736645683.db2.gz DCFSBHDXPVQQSR-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCC(=O)N3)[C@H]2C1 ZINC001083259487 736645685 /nfs/dbraw/zinc/64/56/85/736645685.db2.gz DCFSBHDXPVQQSR-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023295867 736655612 /nfs/dbraw/zinc/65/56/12/736655612.db2.gz JYTSXUFPZPQLPG-GFCCVEGCSA-N 1 1 338.433 0.373 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023295867 736655617 /nfs/dbraw/zinc/65/56/17/736655617.db2.gz JYTSXUFPZPQLPG-GFCCVEGCSA-N 1 1 338.433 0.373 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)c1 ZINC001023295631 736658553 /nfs/dbraw/zinc/65/85/53/736658553.db2.gz DNOCOWZCJIAWDE-CYBMUJFWSA-N 1 1 344.419 0.353 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023298459 736660950 /nfs/dbraw/zinc/66/09/50/736660950.db2.gz WTDQKKFCLHJDJG-STQMWFEESA-N 1 1 331.420 0.805 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001023308452 736666362 /nfs/dbraw/zinc/66/63/62/736666362.db2.gz QIGQYULEOGJMAE-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318104 736674132 /nfs/dbraw/zinc/67/41/32/736674132.db2.gz CEVFAFKQIDNVAY-GFCCVEGCSA-N 1 1 327.392 0.657 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318104 736674137 /nfs/dbraw/zinc/67/41/37/736674137.db2.gz CEVFAFKQIDNVAY-GFCCVEGCSA-N 1 1 327.392 0.657 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)[nH]1 ZINC001023318714 736678737 /nfs/dbraw/zinc/67/87/37/736678737.db2.gz LDIJJTLPTHKTFB-ZDUSSCGKSA-N 1 1 329.404 0.560 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001023319997 736680156 /nfs/dbraw/zinc/68/01/56/736680156.db2.gz MWSCUFWQDSEQMS-FZMZJTMJSA-N 1 1 343.387 0.133 20 30 ECEDMO C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000972552947 736706129 /nfs/dbraw/zinc/70/61/29/736706129.db2.gz WVXMPGWEEPHZEN-APWZRJJASA-N 1 1 342.443 0.690 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 ZINC001098577278 736890272 /nfs/dbraw/zinc/89/02/72/736890272.db2.gz HFTCCJSWRKMBMM-UHFFFAOYSA-N 1 1 332.404 0.265 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001023510307 736940701 /nfs/dbraw/zinc/94/07/01/736940701.db2.gz HOPMICBYFCRPFC-ROUUACIJSA-N 1 1 333.476 0.949 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC([N@H+](CCO)CCCOC)CC1 ZINC001098577527 736946853 /nfs/dbraw/zinc/94/68/53/736946853.db2.gz LNDVUHYFPMPXKA-HNNXBMFYSA-N 1 1 328.453 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnco3)C2)C1=O ZINC001023517622 736950241 /nfs/dbraw/zinc/95/02/41/736950241.db2.gz DJCQHONLZOGFSM-KBPBESRZSA-N 1 1 332.404 0.903 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001023524942 736956101 /nfs/dbraw/zinc/95/61/01/736956101.db2.gz GNPGQHYTAXYTOI-OAHLLOKOSA-N 1 1 330.432 0.862 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3cccnc3)C2)C1 ZINC000972599532 737054884 /nfs/dbraw/zinc/05/48/84/737054884.db2.gz SIEAMPQVQSIQLH-SFHVURJKSA-N 1 1 329.400 0.787 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3cccnc3)C2)C1 ZINC000972599532 737054888 /nfs/dbraw/zinc/05/48/88/737054888.db2.gz SIEAMPQVQSIQLH-SFHVURJKSA-N 1 1 329.400 0.787 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)COC(C)C)C1 ZINC001059847387 751382066 /nfs/dbraw/zinc/38/20/66/751382066.db2.gz QNIGVQDWEDRVGP-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)COC(C)C)C1 ZINC001059847387 751382072 /nfs/dbraw/zinc/38/20/72/751382072.db2.gz QNIGVQDWEDRVGP-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCC)nn3)C2)C1 ZINC000972618437 737109745 /nfs/dbraw/zinc/10/97/45/737109745.db2.gz YTZAZKMWKVGFGX-KRWDZBQOSA-N 1 1 331.420 0.628 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCC)nn3)C2)C1 ZINC000972618437 737109747 /nfs/dbraw/zinc/10/97/47/737109747.db2.gz YTZAZKMWKVGFGX-KRWDZBQOSA-N 1 1 331.420 0.628 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](CCn3cncn3)C2)nn1 ZINC001023637553 737124219 /nfs/dbraw/zinc/12/42/19/737124219.db2.gz PDQHBSGWCZSDGB-CQSZACIVSA-N 1 1 344.423 0.198 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972624119 737136141 /nfs/dbraw/zinc/13/61/41/737136141.db2.gz JZPAKYOQANYCNB-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972624119 737136143 /nfs/dbraw/zinc/13/61/43/737136143.db2.gz JZPAKYOQANYCNB-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)C2)C1 ZINC000972628055 737149171 /nfs/dbraw/zinc/14/91/71/737149171.db2.gz MUTMWILXXKEZCN-BEFAXECRSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)C2)C1 ZINC000972628055 737149173 /nfs/dbraw/zinc/14/91/73/737149173.db2.gz MUTMWILXXKEZCN-BEFAXECRSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 ZINC000972628055 737149177 /nfs/dbraw/zinc/14/91/77/737149177.db2.gz MUTMWILXXKEZCN-BEFAXECRSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 ZINC000972628055 737149179 /nfs/dbraw/zinc/14/91/79/737149179.db2.gz MUTMWILXXKEZCN-BEFAXECRSA-N 1 1 342.443 0.841 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3ncccn3)C2)C1=O ZINC001023662505 737159929 /nfs/dbraw/zinc/15/99/29/737159929.db2.gz MRSSBGTTYGEDII-HUUCEWRRSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001023675356 737184695 /nfs/dbraw/zinc/18/46/95/737184695.db2.gz XVFYBZCRNWAKPY-GJZGRUSLSA-N 1 1 333.436 0.942 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)nc1 ZINC001023708981 737227377 /nfs/dbraw/zinc/22/73/77/737227377.db2.gz NWGXVCVZZQUILS-DZGCQCFKSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)nc1 ZINC001023709683 737228088 /nfs/dbraw/zinc/22/80/88/737228088.db2.gz ZBPWVCYSVMIUEJ-ZBFHGGJFSA-N 1 1 328.416 0.769 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972644212 737239220 /nfs/dbraw/zinc/23/92/20/737239220.db2.gz WCUGOWLSLKRWEE-FUHWJXTLSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972644212 737239225 /nfs/dbraw/zinc/23/92/25/737239225.db2.gz WCUGOWLSLKRWEE-FUHWJXTLSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3nonc3C)C2)C1=O ZINC000972645748 737242841 /nfs/dbraw/zinc/24/28/41/737242841.db2.gz XHDMDDQSARGSTR-DZGCQCFKSA-N 1 1 347.419 0.240 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655984 737263499 /nfs/dbraw/zinc/26/34/99/737263499.db2.gz QSPIIBWANIQFAU-FUHWJXTLSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001023766712 737334971 /nfs/dbraw/zinc/33/49/71/737334971.db2.gz XKDKIVFPHITPLW-GFCCVEGCSA-N 1 1 326.828 0.918 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001023766712 737334974 /nfs/dbraw/zinc/33/49/74/737334974.db2.gz XKDKIVFPHITPLW-GFCCVEGCSA-N 1 1 326.828 0.918 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3nocc3C)C2)C1=O ZINC000972675796 737349226 /nfs/dbraw/zinc/34/92/26/737349226.db2.gz GEIQYVCKPVGRNY-KGLIPLIRSA-N 1 1 332.404 0.916 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000972681326 737368457 /nfs/dbraw/zinc/36/84/57/737368457.db2.gz WDJLECDIOPXVGP-CQSZACIVSA-N 1 1 333.436 0.490 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000972694772 737405757 /nfs/dbraw/zinc/40/57/57/737405757.db2.gz AAUXYKQCRJSDDO-ZIAGYGMSSA-N 1 1 344.415 0.681 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972699734 737442244 /nfs/dbraw/zinc/44/22/44/737442244.db2.gz LYCURBYAHCSFDT-SFHVURJKSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972699734 737442245 /nfs/dbraw/zinc/44/22/45/737442245.db2.gz LYCURBYAHCSFDT-SFHVURJKSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)n(C)n3)C2)C1 ZINC000972702216 737481630 /nfs/dbraw/zinc/48/16/30/737481630.db2.gz IEASACYHNUSSGR-GOSISDBHSA-N 1 1 330.432 0.923 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)n(C)n3)C2)C1 ZINC000972702216 737481631 /nfs/dbraw/zinc/48/16/31/737481631.db2.gz IEASACYHNUSSGR-GOSISDBHSA-N 1 1 330.432 0.923 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCCN(C)C3=O)C2)cn1 ZINC000972756481 737597593 /nfs/dbraw/zinc/59/75/93/737597593.db2.gz MPXSCYOFSOFVMW-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cc(C)n[nH]3)C(C)(C)C2)C1=O ZINC000972830164 737755447 /nfs/dbraw/zinc/75/54/47/737755447.db2.gz CRSSBIVYSLGFRU-CABCVRRESA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cc(C)n[nH]3)C(C)(C)C2)C1=O ZINC000972830164 737755448 /nfs/dbraw/zinc/75/54/48/737755448.db2.gz CRSSBIVYSLGFRU-CABCVRRESA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039731646 737921695 /nfs/dbraw/zinc/92/16/95/737921695.db2.gz AUIBZKHLJXBPJC-KDOFPFPSSA-N 1 1 337.464 0.620 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N2CCC2)[nH]1 ZINC001024398482 737939808 /nfs/dbraw/zinc/93/98/08/737939808.db2.gz OTAPHMSVVFNDPC-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N2CCC2)[nH]1 ZINC001024398482 737939811 /nfs/dbraw/zinc/93/98/11/737939811.db2.gz OTAPHMSVVFNDPC-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccccn2)C1 ZINC000972895875 737989678 /nfs/dbraw/zinc/98/96/78/737989678.db2.gz YRSNTUMBBQAVCX-DZKIICNBSA-N 1 1 326.400 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccccn2)C1 ZINC000972895875 737989680 /nfs/dbraw/zinc/98/96/80/737989680.db2.gz YRSNTUMBBQAVCX-DZKIICNBSA-N 1 1 326.400 0.556 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CN=NC1=O ZINC001087282320 738098703 /nfs/dbraw/zinc/09/87/03/738098703.db2.gz WLPFPVXMGZCMOC-VHDGCEQUSA-N 1 1 331.420 0.612 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001024605927 738159291 /nfs/dbraw/zinc/15/92/91/738159291.db2.gz FGQRRBXYBJGWSX-NRKLIOEPSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001024605927 738159292 /nfs/dbraw/zinc/15/92/92/738159292.db2.gz FGQRRBXYBJGWSX-NRKLIOEPSA-N 1 1 347.459 0.636 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001024626298 738181922 /nfs/dbraw/zinc/18/19/22/738181922.db2.gz CHXXJFRVBDTHCU-CVEARBPZSA-N 1 1 341.415 0.710 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001024626298 738181924 /nfs/dbraw/zinc/18/19/24/738181924.db2.gz CHXXJFRVBDTHCU-CVEARBPZSA-N 1 1 341.415 0.710 20 30 ECEDMO O=C(NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1)[C@H]1CNC(=O)N1 ZINC001024626035 738182185 /nfs/dbraw/zinc/18/21/85/738182185.db2.gz AUHUOOOBRYYGJX-DLBZAZTESA-N 1 1 340.427 0.690 20 30 ECEDMO O=C(NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1)[C@H]1CNC(=O)N1 ZINC001024626035 738182187 /nfs/dbraw/zinc/18/21/87/738182187.db2.gz AUHUOOOBRYYGJX-DLBZAZTESA-N 1 1 340.427 0.690 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001024650772 738199802 /nfs/dbraw/zinc/19/98/02/738199802.db2.gz LKSKAXLAXLLXTR-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001024650772 738199806 /nfs/dbraw/zinc/19/98/06/738199806.db2.gz LKSKAXLAXLLXTR-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001024666582 738207902 /nfs/dbraw/zinc/20/79/02/738207902.db2.gz QRUHYSMUMFALAL-GJZGRUSLSA-N 1 1 330.436 0.620 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC001087309623 738236374 /nfs/dbraw/zinc/23/63/74/738236374.db2.gz JUNDMNSDEFVAOK-UHOFOFEASA-N 1 1 333.432 0.830 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnon2)C1=O ZINC001024720320 738249415 /nfs/dbraw/zinc/24/94/15/738249415.db2.gz IIOQDASLDCJMPA-OCCSQVGLSA-N 1 1 333.392 0.441 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnon2)C1=O ZINC001024720320 738249417 /nfs/dbraw/zinc/24/94/17/738249417.db2.gz IIOQDASLDCJMPA-OCCSQVGLSA-N 1 1 333.392 0.441 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3ccc(=O)n(C)n3)C(C)(C)[C@H]21 ZINC001087316866 738272973 /nfs/dbraw/zinc/27/29/73/738272973.db2.gz YPONYMOCYOROKC-KCXAZCMYSA-N 1 1 328.416 0.632 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N2CCC2)cn1 ZINC001024769730 738277475 /nfs/dbraw/zinc/27/74/75/738277475.db2.gz LRXAWXFMPQLPLE-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N2CCC2)cn1 ZINC001024769730 738277479 /nfs/dbraw/zinc/27/74/79/738277479.db2.gz LRXAWXFMPQLPLE-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000987974796 751397684 /nfs/dbraw/zinc/39/76/84/751397684.db2.gz AMUYSVAZXKAOHX-GJZGRUSLSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000987974796 751397689 /nfs/dbraw/zinc/39/76/89/751397689.db2.gz AMUYSVAZXKAOHX-GJZGRUSLSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(C)c(=O)n3C)C(C)(C)[C@@H]21 ZINC001087319030 738286837 /nfs/dbraw/zinc/28/68/37/738286837.db2.gz HNPWODOHZDURHG-BPLDGKMQSA-N 1 1 330.432 0.576 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001025247864 738924504 /nfs/dbraw/zinc/92/45/04/738924504.db2.gz RIOGUJVJZQLQJH-GJZGRUSLSA-N 1 1 344.415 0.428 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025275805 738999699 /nfs/dbraw/zinc/99/96/99/738999699.db2.gz CEFBXIJIWRGQFG-UONOGXRCSA-N 1 1 334.420 0.570 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001025280573 739002541 /nfs/dbraw/zinc/00/25/41/739002541.db2.gz PRQMNGDNUNEFHQ-HZPDHXFCSA-N 1 1 330.436 0.932 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001025294921 739014795 /nfs/dbraw/zinc/01/47/95/739014795.db2.gz MUICYRJTNMNLMM-LSDHHAIUSA-N 1 1 344.415 0.578 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025298519 739019228 /nfs/dbraw/zinc/01/92/28/739019228.db2.gz XYGOJVRUKFBWIF-CABCVRRESA-N 1 1 348.447 0.960 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000973323838 739090657 /nfs/dbraw/zinc/09/06/57/739090657.db2.gz MNOFHLYRUNXIEB-DUPGQFARSA-N 1 1 332.404 0.697 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)nn1 ZINC001028187283 751419173 /nfs/dbraw/zinc/41/91/73/751419173.db2.gz HKUKABFLUCKILF-CQSZACIVSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCCC2)nn1 ZINC001028187283 751419175 /nfs/dbraw/zinc/41/91/75/751419175.db2.gz HKUKABFLUCKILF-CQSZACIVSA-N 1 1 346.435 0.281 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)Cn1cnnn1 ZINC000988006880 751426373 /nfs/dbraw/zinc/42/63/73/751426373.db2.gz QQDKJBLJHZETFB-NHYWBVRUSA-N 1 1 343.366 0.463 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC000973484999 739378852 /nfs/dbraw/zinc/37/88/52/739378852.db2.gz BOLXVBLVIGOVTC-YYQUZTFQSA-N 1 1 340.427 0.638 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000988017060 751460246 /nfs/dbraw/zinc/46/02/46/751460246.db2.gz UTGIDCSMCVQUBK-DZGCQCFKSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OC ZINC000973625687 739597678 /nfs/dbraw/zinc/59/76/78/739597678.db2.gz VDAVYACHHVLNHP-MKXAEBJUSA-N 1 1 347.459 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OC ZINC000973625687 739597683 /nfs/dbraw/zinc/59/76/83/739597683.db2.gz VDAVYACHHVLNHP-MKXAEBJUSA-N 1 1 347.459 0.757 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2O)CC1 ZINC001025491983 739655548 /nfs/dbraw/zinc/65/55/48/739655548.db2.gz DKOVQUMJAAFZBM-BZUAXINKSA-N 1 1 335.448 0.372 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001025556207 739714711 /nfs/dbraw/zinc/71/47/11/739714711.db2.gz SUWXPNYQSFYMPN-UONOGXRCSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC(N)=O)C2)nn1 ZINC001025559796 739721234 /nfs/dbraw/zinc/72/12/34/739721234.db2.gz XAMVWEHIVVZGHI-OLZOCXBDSA-N 1 1 334.424 0.170 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)n1 ZINC001059852852 751474483 /nfs/dbraw/zinc/47/44/83/751474483.db2.gz DQDHKDPNFBERTD-LJISPDSOSA-N 1 1 340.431 0.846 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001025630056 739795665 /nfs/dbraw/zinc/79/56/65/739795665.db2.gz OMEYLQXYOCABBJ-OLZOCXBDSA-N 1 1 334.424 0.170 20 30 ECEDMO COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001025705237 739882363 /nfs/dbraw/zinc/88/23/63/739882363.db2.gz KDKSARGGFHEPNI-MTSZKFMLSA-N 1 1 339.395 0.914 20 30 ECEDMO COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001025705237 739882365 /nfs/dbraw/zinc/88/23/65/739882365.db2.gz KDKSARGGFHEPNI-MTSZKFMLSA-N 1 1 339.395 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCOC2)C1=O ZINC001025705868 739884760 /nfs/dbraw/zinc/88/47/60/739884760.db2.gz FEMVXNAOBKNXLQ-LJIZCISZSA-N 1 1 333.432 0.246 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(C)=O)C[C@H]1C(F)(F)F ZINC001112030586 739892308 /nfs/dbraw/zinc/89/23/08/739892308.db2.gz XFMWPHOWZQFVPC-VXGBXAGGSA-N 1 1 334.342 0.747 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC(OC)C2)C1=O ZINC001025816473 739990397 /nfs/dbraw/zinc/99/03/97/739990397.db2.gz UKXONQXDVQPYRK-XOZQCHRVSA-N 1 1 333.432 0.245 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC2CC2)C[C@H]1C(F)(F)F ZINC001112034455 740021339 /nfs/dbraw/zinc/02/13/39/740021339.db2.gz JVNSAGJVKODRJP-CYZMBNFOSA-N 1 1 345.365 0.903 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N ZINC001058662939 740024685 /nfs/dbraw/zinc/02/46/85/740024685.db2.gz CYFVVDQHWRGWMO-LSDHHAIUSA-N 1 1 338.452 0.204 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](n2ccnn2)C1 ZINC001070006637 790306956 /nfs/dbraw/zinc/30/69/56/790306956.db2.gz HVHXQULKNQAHAR-CABCVRRESA-N 1 1 330.392 0.817 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@H]2CCCc3n[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001070008928 790312379 /nfs/dbraw/zinc/31/23/79/790312379.db2.gz ABTOVDZVZBOFCN-YUTCNCBUSA-N 1 1 342.407 0.044 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3nn[nH]c32)[C@@H](n2ccnn2)C1 ZINC001070008928 790312380 /nfs/dbraw/zinc/31/23/80/790312380.db2.gz ABTOVDZVZBOFCN-YUTCNCBUSA-N 1 1 342.407 0.044 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3nn[nH]c32)[C@@H](n2ccnn2)C1 ZINC001070008928 790312386 /nfs/dbraw/zinc/31/23/86/790312386.db2.gz ABTOVDZVZBOFCN-YUTCNCBUSA-N 1 1 342.407 0.044 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2cnco2)C1 ZINC000988088907 751517927 /nfs/dbraw/zinc/51/79/27/751517927.db2.gz SHBAPRVZOOOIDS-CABCVRRESA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2cnco2)C1 ZINC000988088907 751517932 /nfs/dbraw/zinc/51/79/32/751517932.db2.gz SHBAPRVZOOOIDS-CABCVRRESA-N 1 1 344.415 0.693 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)C2)nn1 ZINC001098605428 740289845 /nfs/dbraw/zinc/28/98/45/740289845.db2.gz ZCBOAEKCDVYMJW-SWLSCSKDSA-N 1 1 334.424 0.242 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026096004 740370118 /nfs/dbraw/zinc/37/01/18/740370118.db2.gz IGEVXQULCDIXPO-IJOLSIAMSA-N 1 1 333.432 0.293 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)COCC)C[C@H]1C(F)(F)F ZINC001112044003 740377566 /nfs/dbraw/zinc/37/75/66/740377566.db2.gz ZOSTZTNWUWGIQF-IJLUTSLNSA-N 1 1 349.353 0.140 20 30 ECEDMO COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001167728856 740463020 /nfs/dbraw/zinc/46/30/20/740463020.db2.gz BXNMYZRUQPLFPK-AWEZNQCLSA-N 1 1 345.447 0.436 20 30 ECEDMO COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001167728856 740463024 /nfs/dbraw/zinc/46/30/24/740463024.db2.gz BXNMYZRUQPLFPK-AWEZNQCLSA-N 1 1 345.447 0.436 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000973905278 740571017 /nfs/dbraw/zinc/57/10/17/740571017.db2.gz XBQXYQBXYACRSK-QXSJWSMHSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000973905278 740571019 /nfs/dbraw/zinc/57/10/19/740571019.db2.gz XBQXYQBXYACRSK-QXSJWSMHSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2scnc2C)C1 ZINC000973903369 740572776 /nfs/dbraw/zinc/57/27/76/740572776.db2.gz USQTWBFWXAINQT-MJBXVCDLSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2scnc2C)C1 ZINC000973903369 740572778 /nfs/dbraw/zinc/57/27/78/740572778.db2.gz USQTWBFWXAINQT-MJBXVCDLSA-N 1 1 346.456 0.926 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]23)n1 ZINC001026245321 740582671 /nfs/dbraw/zinc/58/26/71/740582671.db2.gz ZYXPTWYVRLCSOC-DDTOSNHZSA-N 1 1 340.391 0.050 20 30 ECEDMO C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149135965 740604210 /nfs/dbraw/zinc/60/42/10/740604210.db2.gz BNWLOSFQFLSJFZ-CQSZACIVSA-N 1 1 326.441 0.608 20 30 ECEDMO CC(C)C[C@H](CNc1ccncc1C#N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104926616 740949432 /nfs/dbraw/zinc/94/94/32/740949432.db2.gz XBSZZUGYZSEUME-WBVHZDCISA-N 1 1 345.447 0.649 20 30 ECEDMO CC(C)C[C@H](CNc1ccncc1C#N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104926616 740949434 /nfs/dbraw/zinc/94/94/34/740949434.db2.gz XBSZZUGYZSEUME-WBVHZDCISA-N 1 1 345.447 0.649 20 30 ECEDMO N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001059857117 751607049 /nfs/dbraw/zinc/60/70/49/751607049.db2.gz NKNIEVHUAFYGLT-AYRXBEOTSA-N 1 1 342.403 0.271 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1ncc(Cl)n1C ZINC001038366951 741118658 /nfs/dbraw/zinc/11/86/58/741118658.db2.gz LCPIQDGXFHMALX-KBPBESRZSA-N 1 1 349.866 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1ncc(Cl)n1C ZINC001038366951 741118659 /nfs/dbraw/zinc/11/86/59/741118659.db2.gz LCPIQDGXFHMALX-KBPBESRZSA-N 1 1 349.866 0.862 20 30 ECEDMO N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)n1 ZINC001059857223 751609956 /nfs/dbraw/zinc/60/99/56/751609956.db2.gz SMNILOQCEPCLLH-NEBZKDRISA-N 1 1 342.403 0.271 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982123325 751618642 /nfs/dbraw/zinc/61/86/42/751618642.db2.gz GOSXRAYHWDROJR-UHFFFAOYSA-N 1 1 329.400 0.624 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ncccn2)C1=O ZINC001028219204 751623817 /nfs/dbraw/zinc/62/38/17/751623817.db2.gz YGULLANQXAWKOJ-KGLIPLIRSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ncccn2)C1=O ZINC001028219204 751623823 /nfs/dbraw/zinc/62/38/23/751623823.db2.gz YGULLANQXAWKOJ-KGLIPLIRSA-N 1 1 329.404 0.458 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1C(F)(F)F ZINC001112079639 741337495 /nfs/dbraw/zinc/33/74/95/741337495.db2.gz RKIHXEFXQPNARB-OPVGQWETSA-N 1 1 344.337 0.571 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C3CC(C)C3)C2)nn1 ZINC001105209932 741473135 /nfs/dbraw/zinc/47/31/35/741473135.db2.gz XQDCGXZBFNAORM-UHFFFAOYSA-N 1 1 333.436 1.000 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)n3cncn3)C2)nn1 ZINC001105216324 741488298 /nfs/dbraw/zinc/48/82/98/741488298.db2.gz RUYFUKSJYJHNGY-LBPRGKRZSA-N 1 1 330.396 0.180 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C[C@@](C)(O)C=C)C2)nn1 ZINC001105227401 741508293 /nfs/dbraw/zinc/50/82/93/741508293.db2.gz IQSUBXQJGPWSRF-KRWDZBQOSA-N 1 1 349.435 0.281 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243530 741542308 /nfs/dbraw/zinc/54/23/08/741542308.db2.gz CAEGSZJSOOXDOY-JKSUJKDBSA-N 1 1 332.452 0.667 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006670415 751647006 /nfs/dbraw/zinc/64/70/06/751647006.db2.gz DCAGLNUAMCMOLU-RHSMWYFYSA-N 1 1 347.459 0.472 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006670415 751647009 /nfs/dbraw/zinc/64/70/09/751647009.db2.gz DCAGLNUAMCMOLU-RHSMWYFYSA-N 1 1 347.459 0.472 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cncc4nc[nH]c43)C2)nn1 ZINC001105247198 741547907 /nfs/dbraw/zinc/54/79/07/741547907.db2.gz TVIXLFGCVSUGKV-UHFFFAOYSA-N 1 1 338.375 0.522 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCC(NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001026580143 741574661 /nfs/dbraw/zinc/57/46/61/741574661.db2.gz JSTDMSVUBTZHPR-BPCQOVAHSA-N 1 1 332.408 0.222 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCC(NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001026580143 741574663 /nfs/dbraw/zinc/57/46/63/741574663.db2.gz JSTDMSVUBTZHPR-BPCQOVAHSA-N 1 1 332.408 0.222 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCOC[C@@H]3OC)C2)nn1 ZINC001105259912 741582564 /nfs/dbraw/zinc/58/25/64/741582564.db2.gz RMILAYANJKMGOK-CJNGLKHVSA-N 1 1 349.435 0.379 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CO[C@@H](C)C3)C2)nn1 ZINC001105270971 741615684 /nfs/dbraw/zinc/61/56/84/741615684.db2.gz RLDWYBIQPUMBSG-KBPBESRZSA-N 1 1 349.435 0.379 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNc2ccnc(C#N)n2)C(C)(C)C)C1 ZINC001125934963 741638017 /nfs/dbraw/zinc/63/80/17/741638017.db2.gz ZOMSVWMAPNHQKW-STQMWFEESA-N 1 1 330.436 0.665 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000974410704 741639456 /nfs/dbraw/zinc/63/94/56/741639456.db2.gz ZFCSMUJMVUYDEJ-RBZJEDDUSA-N 1 1 335.448 0.825 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3nccn3C)C2)nn1 ZINC001105288323 741648479 /nfs/dbraw/zinc/64/84/79/741648479.db2.gz JOEJVPRZSNJFCS-UHFFFAOYSA-N 1 1 343.435 0.693 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cc(CC)nn3C)C2)nn1 ZINC001105288552 741648935 /nfs/dbraw/zinc/64/89/35/741648935.db2.gz RQBCUHZUKXVMME-UHFFFAOYSA-N 1 1 343.435 0.476 20 30 ECEDMO C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326784 741803110 /nfs/dbraw/zinc/80/31/10/741803110.db2.gz GFSYHTSJVYMKHU-CJNGLKHVSA-N 1 1 332.452 0.525 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105326784 741803114 /nfs/dbraw/zinc/80/31/14/741803114.db2.gz GFSYHTSJVYMKHU-CJNGLKHVSA-N 1 1 332.452 0.525 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326784 741803118 /nfs/dbraw/zinc/80/31/18/741803118.db2.gz GFSYHTSJVYMKHU-CJNGLKHVSA-N 1 1 332.452 0.525 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3Cc4ccncc4C3)C2)nn1 ZINC001105326638 741809282 /nfs/dbraw/zinc/80/92/82/741809282.db2.gz ABAVMBMBCIOSDP-CQSZACIVSA-N 1 1 338.415 0.747 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974586665 741923188 /nfs/dbraw/zinc/92/31/88/741923188.db2.gz WSIIFRWIRGWBIO-HIFRSBDPSA-N 1 1 343.431 0.613 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNCc2noc(CC)n2)C1 ZINC001026893812 742038845 /nfs/dbraw/zinc/03/88/45/742038845.db2.gz OHEAGETXNKPICP-GJZGRUSLSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNCc2noc(CC)n2)C1 ZINC001026893812 742038849 /nfs/dbraw/zinc/03/88/49/742038849.db2.gz OHEAGETXNKPICP-GJZGRUSLSA-N 1 1 345.447 0.668 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C(C)(C)C1 ZINC000974738474 742137099 /nfs/dbraw/zinc/13/70/99/742137099.db2.gz WJVSKGXGTFRNSJ-OAHLLOKOSA-N 1 1 328.416 0.573 20 30 ECEDMO C=CCN1CC[C@@H](N2C[C@@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000974780558 742180876 /nfs/dbraw/zinc/18/08/76/742180876.db2.gz BXHDHQGTISKKKE-CHWSQXEVSA-N 1 1 332.408 0.032 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000974788176 742190849 /nfs/dbraw/zinc/19/08/49/742190849.db2.gz DYJQVTOTBIOSDZ-OAHLLOKOSA-N 1 1 348.447 0.906 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000974791346 742194726 /nfs/dbraw/zinc/19/47/26/742194726.db2.gz PLAXMJHGCMGPHN-HNNXBMFYSA-N 1 1 346.431 0.353 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974823185 742218768 /nfs/dbraw/zinc/21/87/68/742218768.db2.gz COHHVOCBYOWZCS-CQSZACIVSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000974868289 742273896 /nfs/dbraw/zinc/27/38/96/742273896.db2.gz GGXOAFDKONMLAL-KGLIPLIRSA-N 1 1 343.418 0.802 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)C1=O ZINC000974967693 742394654 /nfs/dbraw/zinc/39/46/54/742394654.db2.gz AQLYYDMGQXNJNV-ZVDSWSACSA-N 1 1 347.459 0.492 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)C1=O ZINC000974967693 742394660 /nfs/dbraw/zinc/39/46/60/742394660.db2.gz AQLYYDMGQXNJNV-ZVDSWSACSA-N 1 1 347.459 0.492 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C(C)(C)C1 ZINC000975022416 742441825 /nfs/dbraw/zinc/44/18/25/742441825.db2.gz UPZWTODKFAUYAK-LLVKDONJSA-N 1 1 341.437 0.073 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCNC3=O)CC2(C)C)c1 ZINC000975010862 742445812 /nfs/dbraw/zinc/44/58/12/742445812.db2.gz JJPAUFYPOMJUIJ-CABCVRRESA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)c1 ZINC000975010862 742445814 /nfs/dbraw/zinc/44/58/14/742445814.db2.gz JJPAUFYPOMJUIJ-CABCVRRESA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+]([C@H]3CCCNC3=O)CC2(C)C)c1 ZINC000975012393 742446210 /nfs/dbraw/zinc/44/62/10/742446210.db2.gz QGHHVECTXGBPHH-HOTGVXAUSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCCNC3=O)CC2(C)C)c1 ZINC000975012393 742446212 /nfs/dbraw/zinc/44/62/12/742446212.db2.gz QGHHVECTXGBPHH-HOTGVXAUSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC2(C)C)c1 ZINC000975012626 742446770 /nfs/dbraw/zinc/44/67/70/742446770.db2.gz RLSMYXZFEPECTN-JKSUJKDBSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC2(C)C)c1 ZINC000975012626 742446771 /nfs/dbraw/zinc/44/67/71/742446771.db2.gz RLSMYXZFEPECTN-JKSUJKDBSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000975060349 742466559 /nfs/dbraw/zinc/46/65/59/742466559.db2.gz ACPIGUKTCQMGJQ-KBPBESRZSA-N 1 1 330.436 0.476 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC1(C)C ZINC000975065528 742470255 /nfs/dbraw/zinc/47/02/55/742470255.db2.gz PMWAGNZWSNMJMS-QLFBSQMISA-N 1 1 335.448 0.683 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)CC1(C)C ZINC000975065528 742470257 /nfs/dbraw/zinc/47/02/57/742470257.db2.gz PMWAGNZWSNMJMS-QLFBSQMISA-N 1 1 335.448 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000975360528 742751176 /nfs/dbraw/zinc/75/11/76/742751176.db2.gz JGPUGLFFKBGXHI-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000975360528 742751178 /nfs/dbraw/zinc/75/11/78/742751178.db2.gz JGPUGLFFKBGXHI-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001028936144 742918213 /nfs/dbraw/zinc/91/82/13/742918213.db2.gz PUAPKMKZOAXRFM-MRXNPFEDSA-N 1 1 340.427 0.737 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1 ZINC000982256155 751775741 /nfs/dbraw/zinc/77/57/41/751775741.db2.gz OULVOPYMIRXQQE-HDICACEKSA-N 1 1 343.431 0.759 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)cn1 ZINC001028938761 742931005 /nfs/dbraw/zinc/93/10/05/742931005.db2.gz WCJJLRVUYMKZKT-OAHLLOKOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001028939304 742931933 /nfs/dbraw/zinc/93/19/33/742931933.db2.gz KJTPODAAVUOGNW-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC001028939116 742932036 /nfs/dbraw/zinc/93/20/36/742932036.db2.gz GLCQJDACPDFGAL-DZGCQCFKSA-N 1 1 328.416 0.591 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001028939603 742933516 /nfs/dbraw/zinc/93/35/16/742933516.db2.gz QFCVGPYYKRQXDZ-LBPRGKRZSA-N 1 1 325.368 0.645 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC001028940630 742935542 /nfs/dbraw/zinc/93/55/42/742935542.db2.gz MJVWEYGFHXIVTK-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO CS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001125994813 743115908 /nfs/dbraw/zinc/11/59/08/743115908.db2.gz LPDMQZHTYGMWSS-UHFFFAOYSA-N 1 1 336.373 0.402 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CCc3c[nH]nn3)CC2)C1=O ZINC000997014660 743132605 /nfs/dbraw/zinc/13/26/05/743132605.db2.gz DSKKVHXIUUMNLR-OAHLLOKOSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CCc3cnn[nH]3)CC2)C1=O ZINC000997014660 743132612 /nfs/dbraw/zinc/13/26/12/743132612.db2.gz DSKKVHXIUUMNLR-OAHLLOKOSA-N 1 1 346.435 0.105 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C)c1 ZINC001020561221 751797983 /nfs/dbraw/zinc/79/79/83/751797983.db2.gz FNHFWHLAMAWLKP-LXZKKBNFSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3nonc3C)CC2)C1=O ZINC000983454985 743201328 /nfs/dbraw/zinc/20/13/28/743201328.db2.gz WWBZNGNJHZDYPV-OAHLLOKOSA-N 1 1 347.419 0.242 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3nonc3C)CC2)C1=O ZINC000983454985 743201334 /nfs/dbraw/zinc/20/13/34/743201334.db2.gz WWBZNGNJHZDYPV-OAHLLOKOSA-N 1 1 347.419 0.242 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001028231957 751802843 /nfs/dbraw/zinc/80/28/43/751802843.db2.gz ZKGWGXHSEGYPPP-CABCVRRESA-N 1 1 331.420 0.532 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001027234400 743247171 /nfs/dbraw/zinc/24/71/71/743247171.db2.gz VUUSZFMVRRJUFN-RDJZCZTQSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(Cc2cnon2)CC1 ZINC000997149551 743289502 /nfs/dbraw/zinc/28/95/02/743289502.db2.gz PRYRCYXOHXRBNZ-PBHICJAKSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(Cc2cnon2)CC1 ZINC000997149551 743289506 /nfs/dbraw/zinc/28/95/06/743289506.db2.gz PRYRCYXOHXRBNZ-PBHICJAKSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NCCC)C[C@H]32)nn1 ZINC001114939889 743438791 /nfs/dbraw/zinc/43/87/91/743438791.db2.gz RDNMFXKYMZXZBW-RMRHIDDWSA-N 1 1 346.435 0.039 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(=O)NCCC)C[C@H]32)nn1 ZINC001114939889 743438793 /nfs/dbraw/zinc/43/87/93/743438793.db2.gz RDNMFXKYMZXZBW-RMRHIDDWSA-N 1 1 346.435 0.039 20 30 ECEDMO C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000997331699 743498079 /nfs/dbraw/zinc/49/80/79/743498079.db2.gz DZCPRXKZYUGKBO-HIFRSBDPSA-N 1 1 326.462 0.661 20 30 ECEDMO CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC000997430677 743609546 /nfs/dbraw/zinc/60/95/46/743609546.db2.gz GWZNUIVDXBPMAD-UKRRQHHQSA-N 1 1 326.462 0.804 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001006796317 751842584 /nfs/dbraw/zinc/84/25/84/751842584.db2.gz JSVSBFZCQGUNRW-HOCLYGCPSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001006796317 751842593 /nfs/dbraw/zinc/84/25/93/751842593.db2.gz JSVSBFZCQGUNRW-HOCLYGCPSA-N 1 1 345.447 0.953 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000997871717 743861093 /nfs/dbraw/zinc/86/10/93/743861093.db2.gz RCRCRHRWCWAVRK-AAEUAGOBSA-N 1 1 349.884 0.647 20 30 ECEDMO C=C(CCC(=O)OC)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001137720679 743900934 /nfs/dbraw/zinc/90/09/34/743900934.db2.gz QVBAQJTZYUTOGP-AWEZNQCLSA-N 1 1 337.420 0.261 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001027355006 743920483 /nfs/dbraw/zinc/92/04/83/743920483.db2.gz OPXZVVAVJVUDFB-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO Cn1nncc1C[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027355380 743921685 /nfs/dbraw/zinc/92/16/85/743921685.db2.gz UVWGOLOJPAZKKB-ZDUSSCGKSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1nncc1C[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027355380 743921688 /nfs/dbraw/zinc/92/16/88/743921688.db2.gz UVWGOLOJPAZKKB-ZDUSSCGKSA-N 1 1 327.392 0.751 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000976503053 744011287 /nfs/dbraw/zinc/01/12/87/744011287.db2.gz NNTUUOSNYHUMLJ-UIBIWLFHSA-N 1 1 329.444 0.846 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001027371888 744019706 /nfs/dbraw/zinc/01/97/06/744019706.db2.gz LFFKAPJIMUZHFS-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 ZINC000976498277 744025285 /nfs/dbraw/zinc/02/52/85/744025285.db2.gz AYMQQZSYFLBYBC-LJIZCISZSA-N 1 1 332.448 0.982 20 30 ECEDMO Cn1nncc1C[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027375534 744036586 /nfs/dbraw/zinc/03/65/86/744036586.db2.gz SVCPTEOCHMSUSP-CQSZACIVSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1nncc1C[N@@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027375534 744036589 /nfs/dbraw/zinc/03/65/89/744036589.db2.gz SVCPTEOCHMSUSP-CQSZACIVSA-N 1 1 327.392 0.751 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027373353 744038011 /nfs/dbraw/zinc/03/80/11/744038011.db2.gz KMPZCIZZTUBUOU-HNNXBMFYSA-N 1 1 344.419 0.448 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cncnc3)C2)C1=O ZINC001027378294 744050354 /nfs/dbraw/zinc/05/03/54/744050354.db2.gz DVPXUKXQTXWHTJ-HOTGVXAUSA-N 1 1 343.431 0.800 20 30 ECEDMO C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C(F)(F)F ZINC000998253725 744079223 /nfs/dbraw/zinc/07/92/23/744079223.db2.gz XUBZSQYPXAXMEE-IUCAKERBSA-N 1 1 327.734 0.983 20 30 ECEDMO N#CCN[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C(F)(F)F ZINC000998301886 744108326 /nfs/dbraw/zinc/10/83/26/744108326.db2.gz INQZWSUITNHKER-CHWSQXEVSA-N 1 1 348.369 0.601 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)CCO1 ZINC001027408776 744226883 /nfs/dbraw/zinc/22/68/83/744226883.db2.gz XRLLFINSLOKLEV-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)CCO1 ZINC001027408776 744226884 /nfs/dbraw/zinc/22/68/84/744226884.db2.gz XRLLFINSLOKLEV-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)[nH]1 ZINC000998962176 744432894 /nfs/dbraw/zinc/43/28/94/744432894.db2.gz QUOGNJIYAMQCHN-LBPRGKRZSA-N 1 1 340.391 0.602 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2nnc(C)o2)C1 ZINC001027446185 744482862 /nfs/dbraw/zinc/48/28/62/744482862.db2.gz ATUTVFKIZXVSRX-CVEARBPZSA-N 1 1 345.447 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2nnc(C)o2)C1 ZINC001027446185 744482865 /nfs/dbraw/zinc/48/28/65/744482865.db2.gz ATUTVFKIZXVSRX-CVEARBPZSA-N 1 1 345.447 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2nnc(C)[nH]2)C1 ZINC001027446257 744483425 /nfs/dbraw/zinc/48/34/25/744483425.db2.gz DGVWNDJLYUFRNX-CVEARBPZSA-N 1 1 344.463 0.634 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC000999188560 744557820 /nfs/dbraw/zinc/55/78/20/744557820.db2.gz AWQWBABQURZCBC-KFWWJZLASA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCCNC3=O)CC2(C)C)nn1 ZINC000977270551 744826133 /nfs/dbraw/zinc/82/61/33/744826133.db2.gz CFTPNJWDYRQUDY-KGLIPLIRSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC2(C)C)nn1 ZINC000977270551 744826136 /nfs/dbraw/zinc/82/61/36/744826136.db2.gz CFTPNJWDYRQUDY-KGLIPLIRSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC2(C)C)nn1 ZINC000977270553 744826225 /nfs/dbraw/zinc/82/62/25/744826225.db2.gz CFTPNJWDYRQUDY-UONOGXRCSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC2(C)C)nn1 ZINC000977270553 744826228 /nfs/dbraw/zinc/82/62/28/744826228.db2.gz CFTPNJWDYRQUDY-UONOGXRCSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3n[nH]nc3C)C2)C1=O ZINC001027517885 744937532 /nfs/dbraw/zinc/93/75/32/744937532.db2.gz KPKMFQGRPJIQAV-ZIAGYGMSSA-N 1 1 346.435 0.436 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccon1 ZINC000977418059 744951289 /nfs/dbraw/zinc/95/12/89/744951289.db2.gz JAPBNYJJBALBPR-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccon1 ZINC000977418059 744951290 /nfs/dbraw/zinc/95/12/90/744951290.db2.gz JAPBNYJJBALBPR-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001006906584 751963914 /nfs/dbraw/zinc/96/39/14/751963914.db2.gz VJDZXJLAYHQJHU-WQVCFCJDSA-N 1 1 346.431 0.746 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000977464682 745049726 /nfs/dbraw/zinc/04/97/26/745049726.db2.gz GOOBSDMGMRFYOO-JTQLQIEISA-N 1 1 334.376 0.360 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccnn1C ZINC000977466568 745052971 /nfs/dbraw/zinc/05/29/71/745052971.db2.gz ZGDISIOQZFLPSF-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccnn1C ZINC000977466568 745052977 /nfs/dbraw/zinc/05/29/77/745052977.db2.gz ZGDISIOQZFLPSF-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 ZINC000999938418 745071765 /nfs/dbraw/zinc/07/17/65/745071765.db2.gz LSKPWGQYIJRJMS-CQSZACIVSA-N 1 1 333.392 0.605 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncoc3C)nn2)C1 ZINC000999954814 745094393 /nfs/dbraw/zinc/09/43/93/745094393.db2.gz HFAIQFMRGBFCKV-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 ZINC000999962879 745105853 /nfs/dbraw/zinc/10/58/53/745105853.db2.gz NMTPNCAMVBFRKK-GXTWGEPZSA-N 1 1 339.827 0.930 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 ZINC000999962879 745105855 /nfs/dbraw/zinc/10/58/55/745105855.db2.gz NMTPNCAMVBFRKK-GXTWGEPZSA-N 1 1 339.827 0.930 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(CC)n[nH]3)nn2)C1 ZINC000999964791 745109555 /nfs/dbraw/zinc/10/95/55/745109555.db2.gz FVVJWMSMWBIKOC-HNNXBMFYSA-N 1 1 341.419 0.764 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@H]3CCCNC3=O)CC2(C)C)cn1 ZINC000977520120 745112918 /nfs/dbraw/zinc/11/29/18/745112918.db2.gz BKNVGAJXQOWFJY-HOTGVXAUSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCCNC3=O)CC2(C)C)cn1 ZINC000977520120 745112921 /nfs/dbraw/zinc/11/29/21/745112921.db2.gz BKNVGAJXQOWFJY-HOTGVXAUSA-N 1 1 340.427 0.782 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 ZINC000999976306 745125177 /nfs/dbraw/zinc/12/51/77/745125177.db2.gz TXFOWMOGAYHPKP-BXUZGUMPSA-N 1 1 343.391 0.035 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC000999978163 745126909 /nfs/dbraw/zinc/12/69/09/745126909.db2.gz FUZMRNDTBUZSOY-HNNXBMFYSA-N 1 1 337.387 0.678 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)ncn3)nn2)C1 ZINC000999980318 745130944 /nfs/dbraw/zinc/13/09/44/745130944.db2.gz NASHHXQGCVCZQS-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3N)nn2)C1 ZINC000999984280 745136924 /nfs/dbraw/zinc/13/69/24/745136924.db2.gz KQNMJYBTOBVXBI-CYBMUJFWSA-N 1 1 344.423 0.347 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000977517354 745138664 /nfs/dbraw/zinc/13/86/64/745138664.db2.gz KBUXYJHKEPVBMF-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000977517357 745138709 /nfs/dbraw/zinc/13/87/09/745138709.db2.gz KBUXYJHKEPVBMF-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)nn2)C1 ZINC000999990360 745147641 /nfs/dbraw/zinc/14/76/41/745147641.db2.gz JUSBSQZQNQNMHU-SJORKVTESA-N 1 1 344.463 0.647 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999990360 745147644 /nfs/dbraw/zinc/14/76/44/745147644.db2.gz JUSBSQZQNQNMHU-SJORKVTESA-N 1 1 344.463 0.647 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc[nH]c3CC)nn2)C1 ZINC000999991272 745148298 /nfs/dbraw/zinc/14/82/98/745148298.db2.gz MNUFZFRFCFJLBN-AWEZNQCLSA-N 1 1 326.404 0.979 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999995448 745154561 /nfs/dbraw/zinc/15/45/61/745154561.db2.gz GHFJPUNULYPDIC-DLBZAZTESA-N 1 1 344.463 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999995448 745154562 /nfs/dbraw/zinc/15/45/62/745154562.db2.gz GHFJPUNULYPDIC-DLBZAZTESA-N 1 1 344.463 0.649 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc[nH]c3=O)nn2)C1 ZINC000999997032 745156451 /nfs/dbraw/zinc/15/64/51/745156451.db2.gz LGLMVPYDGQOPNI-CYBMUJFWSA-N 1 1 343.391 0.527 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc[nH]c3=O)nn2)C1 ZINC000999998915 745160020 /nfs/dbraw/zinc/16/00/20/745160020.db2.gz VNEZWUHOOIMMOD-CYBMUJFWSA-N 1 1 343.391 0.527 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)ccc3=O)nn2)C1 ZINC001000003903 745170012 /nfs/dbraw/zinc/17/00/12/745170012.db2.gz RCCHBCULJVYXBY-CQSZACIVSA-N 1 1 342.403 0.340 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc4ccccn34)nn2)C1 ZINC001000004407 745170745 /nfs/dbraw/zinc/17/07/45/745170745.db2.gz TUVUXZZLHLRDFL-HNNXBMFYSA-N 1 1 349.398 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ocnc3CC)nn2)C1 ZINC001000021748 745193008 /nfs/dbraw/zinc/19/30/08/745193008.db2.gz TWQBTJWJGRTNOG-ZDUSSCGKSA-N 1 1 328.376 0.639 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(C)c3C)nn2)C1 ZINC001000023142 745193696 /nfs/dbraw/zinc/19/36/96/745193696.db2.gz YFUHQAPZOREGFI-OAHLLOKOSA-N 1 1 326.404 0.735 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001000023519 745194426 /nfs/dbraw/zinc/19/44/26/745194426.db2.gz CRVSYVNNWILFBF-OAHLLOKOSA-N 1 1 325.376 0.268 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C(C)C)n[nH]3)nn2)C1 ZINC001000025426 745196833 /nfs/dbraw/zinc/19/68/33/745196833.db2.gz PMNSSJDXIQYEKE-CQSZACIVSA-N 1 1 341.419 0.935 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]c(C)nc3C)nn2)C1 ZINC001000025599 745197090 /nfs/dbraw/zinc/19/70/90/745197090.db2.gz RCJXPZDKDDCODJ-OAHLLOKOSA-N 1 1 341.419 0.818 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)n[nH]c3C)nn2)C1 ZINC001000026618 745198721 /nfs/dbraw/zinc/19/87/21/745198721.db2.gz BHEITOIQXMHEET-HNNXBMFYSA-N 1 1 341.419 0.818 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nc(CC)oc3C)nn2)C1 ZINC001000030756 745205328 /nfs/dbraw/zinc/20/53/28/745205328.db2.gz LGJAOCGWZILFBM-AWEZNQCLSA-N 1 1 342.403 0.947 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc4nccn4c3)nn2)C1 ZINC001000031819 745206294 /nfs/dbraw/zinc/20/62/94/745206294.db2.gz AXWBDFRCXSDMFB-MRXNPFEDSA-N 1 1 349.398 0.736 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C#C)nc3)nn2)C1 ZINC001000033642 745207689 /nfs/dbraw/zinc/20/76/89/745207689.db2.gz CUOOZBILGWZRPN-SFHVURJKSA-N 1 1 348.410 0.855 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(CC)nn3C)nn2)C1 ZINC001000033948 745208251 /nfs/dbraw/zinc/20/82/51/745208251.db2.gz HRUOZWSZOBUFRJ-HNNXBMFYSA-N 1 1 341.419 0.384 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001000035799 745212123 /nfs/dbraw/zinc/21/21/23/745212123.db2.gz MQYMWUHAAJWHKU-CYBMUJFWSA-N 1 1 347.810 0.997 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001000035799 745212126 /nfs/dbraw/zinc/21/21/26/745212126.db2.gz MQYMWUHAAJWHKU-CYBMUJFWSA-N 1 1 347.810 0.997 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nocc3C)nn2)C1 ZINC001000036446 745213242 /nfs/dbraw/zinc/21/32/42/745213242.db2.gz SPZAMGWJCQACIZ-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3coc(COC)n3)nn2)C1 ZINC001000037390 745215330 /nfs/dbraw/zinc/21/53/30/745215330.db2.gz REEGLZLXGZFEEO-ZDUSSCGKSA-N 1 1 344.375 0.223 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCN(C(C)=O)C3)nn2)C1 ZINC001000042763 745222352 /nfs/dbraw/zinc/22/23/52/745222352.db2.gz HDMSKOGDPMSLNZ-ZBFHGGJFSA-N 1 1 346.435 0.196 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 ZINC001000043992 745224054 /nfs/dbraw/zinc/22/40/54/745224054.db2.gz SUULLBZRBUFYJD-HZPDHXFCSA-N 1 1 345.451 0.539 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3nc(C)no3)C2)nn1 ZINC001020700088 751989584 /nfs/dbraw/zinc/98/95/84/751989584.db2.gz HXTSCBCIUOCHLZ-DLOVCJGASA-N 1 1 331.380 0.767 20 30 ECEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553270 745421123 /nfs/dbraw/zinc/42/11/23/745421123.db2.gz TUHGAMWIIDCDML-CQSZACIVSA-N 1 1 330.388 0.497 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccncc4)[C@@H]3C2)C1=O ZINC000977733993 745430158 /nfs/dbraw/zinc/43/01/58/745430158.db2.gz UQZPGPLQJBDYAF-NXOAAHMSSA-N 1 1 340.427 0.776 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000977772119 745474992 /nfs/dbraw/zinc/47/49/92/745474992.db2.gz LDOGLRHKJGVWCI-RDJZCZTQSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+][C@H](C)c3nncn3C)C2)nn1 ZINC001000405146 745478867 /nfs/dbraw/zinc/47/88/67/745478867.db2.gz QZOOSKBNWPNCRF-CHWSQXEVSA-N 1 1 344.423 0.548 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001059265451 745508386 /nfs/dbraw/zinc/50/83/86/745508386.db2.gz WLROMCWEESXWIW-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001059265451 745508388 /nfs/dbraw/zinc/50/83/88/745508388.db2.gz WLROMCWEESXWIW-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2ccon2)C1 ZINC000983930196 745527241 /nfs/dbraw/zinc/52/72/41/745527241.db2.gz DASZNSRAESWQHT-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2ccon2)C1 ZINC000983930196 745527244 /nfs/dbraw/zinc/52/72/44/745527244.db2.gz DASZNSRAESWQHT-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)c1 ZINC001027568462 745594070 /nfs/dbraw/zinc/59/40/70/745594070.db2.gz IWJOPJORKKQSFV-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@H]3CCC(=O)NC3=O)CC2)[nH]1 ZINC001000594555 745624232 /nfs/dbraw/zinc/62/42/32/745624232.db2.gz RPGIAIKGIJXLNS-AWEZNQCLSA-N 1 1 341.371 0.053 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)[nH]1 ZINC001000594555 745624234 /nfs/dbraw/zinc/62/42/34/745624234.db2.gz RPGIAIKGIJXLNS-AWEZNQCLSA-N 1 1 341.371 0.053 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@H+](CC(=O)N3CCC3)CC2)[nH]1 ZINC001000595068 745625025 /nfs/dbraw/zinc/62/50/25/745625025.db2.gz ALKUISUKADIDNQ-UHFFFAOYSA-N 1 1 327.388 0.481 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@@H+](CC(=O)N3CCC3)CC2)[nH]1 ZINC001000595068 745625026 /nfs/dbraw/zinc/62/50/26/745625026.db2.gz ALKUISUKADIDNQ-UHFFFAOYSA-N 1 1 327.388 0.481 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnn(C)n3)C2)nn1 ZINC001020714486 752017521 /nfs/dbraw/zinc/01/75/21/752017521.db2.gz ROFDDWKCZMBKRW-HAQNSBGRSA-N 1 1 330.396 0.033 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1ccoc1 ZINC000977930174 745685943 /nfs/dbraw/zinc/68/59/43/745685943.db2.gz QPBZSCRJXMMCSA-IRXDYDNUSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1ccoc1 ZINC000977930174 745685949 /nfs/dbraw/zinc/68/59/49/745685949.db2.gz QPBZSCRJXMMCSA-IRXDYDNUSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccon1 ZINC000977931222 745687855 /nfs/dbraw/zinc/68/78/55/745687855.db2.gz UIOVTCVTXOHKNL-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccon1 ZINC000977931222 745687857 /nfs/dbraw/zinc/68/78/57/745687857.db2.gz UIOVTCVTXOHKNL-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1csnn1 ZINC001029342363 745758493 /nfs/dbraw/zinc/75/84/93/745758493.db2.gz LBDXUNDRHNXXLN-XHSDSOJGSA-N 1 1 345.472 0.811 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1csnn1 ZINC001029342363 745758499 /nfs/dbraw/zinc/75/84/99/745758499.db2.gz LBDXUNDRHNXXLN-XHSDSOJGSA-N 1 1 345.472 0.811 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H](CC)C(N)=O)CC1 ZINC001000788645 745764499 /nfs/dbraw/zinc/76/44/99/745764499.db2.gz WZNXFGXGLYNDOG-HOTGVXAUSA-N 1 1 332.448 0.096 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001006994285 752032645 /nfs/dbraw/zinc/03/26/45/752032645.db2.gz OHFJNESHOUPJIO-LSDHHAIUSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001006994285 752032649 /nfs/dbraw/zinc/03/26/49/752032649.db2.gz OHFJNESHOUPJIO-LSDHHAIUSA-N 1 1 331.420 0.320 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC000978042242 745819760 /nfs/dbraw/zinc/81/97/60/745819760.db2.gz UPBYVMPOKCSGTP-GUIRCDHDSA-N 1 1 327.388 0.025 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnns4)C[C@H]32)c[nH]1 ZINC000978068920 745874528 /nfs/dbraw/zinc/87/45/28/745874528.db2.gz XYNQBJHCKXSAEY-ZSOGYDGISA-N 1 1 328.401 0.846 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnns4)C[C@H]32)c[nH]1 ZINC000978068920 745874535 /nfs/dbraw/zinc/87/45/35/745874535.db2.gz XYNQBJHCKXSAEY-ZSOGYDGISA-N 1 1 328.401 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1csnn1 ZINC000978072149 745878986 /nfs/dbraw/zinc/87/89/86/745878986.db2.gz XCWHCIYBTFFBKC-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1csnn1 ZINC000978072149 745878990 /nfs/dbraw/zinc/87/89/90/745878990.db2.gz XCWHCIYBTFFBKC-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001000902426 745881924 /nfs/dbraw/zinc/88/19/24/745881924.db2.gz ABRTVVCYSLLKHM-UHFFFAOYSA-N 1 1 337.401 0.312 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)cc1 ZINC000978113324 745922185 /nfs/dbraw/zinc/92/21/85/745922185.db2.gz QBZACGJSLGAZFE-JONQDZQNSA-N 1 1 340.383 0.461 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[C@@H]1COC(=O)N1 ZINC000978106746 745939447 /nfs/dbraw/zinc/93/94/47/745939447.db2.gz HOXJWUFXGLSIOO-NXOAAHMSSA-N 1 1 339.395 0.441 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000978137591 745952520 /nfs/dbraw/zinc/95/25/20/745952520.db2.gz LWFWNPILQAJBKB-APWZRJJASA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cn(C)nc2[C@H]2CCOC2)CC1 ZINC001001002978 745967962 /nfs/dbraw/zinc/96/79/62/745967962.db2.gz XUZDUBHQNPADFD-HNNXBMFYSA-N 1 1 328.416 0.919 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001059334707 745986431 /nfs/dbraw/zinc/98/64/31/745986431.db2.gz IKIIMHIXNNAHKX-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ccnnc3)C2)C1=O ZINC001027592978 746003884 /nfs/dbraw/zinc/00/38/84/746003884.db2.gz YSPIXVSBFATUJE-CVEARBPZSA-N 1 1 343.431 0.800 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001007022950 752051783 /nfs/dbraw/zinc/05/17/83/752051783.db2.gz YCMKMWVDJZKTNV-DZGCQCFKSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001007022950 752051789 /nfs/dbraw/zinc/05/17/89/752051789.db2.gz YCMKMWVDJZKTNV-DZGCQCFKSA-N 1 1 344.415 0.768 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(C#N)nc1 ZINC001126539092 746020972 /nfs/dbraw/zinc/02/09/72/746020972.db2.gz XFARIPZLBKQVIZ-RHSMWYFYSA-N 1 1 345.447 0.862 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3n[nH]cc3F)CC2)C1=O ZINC001001122721 746094103 /nfs/dbraw/zinc/09/41/03/746094103.db2.gz FLLJCFBVAAQOSH-AWEZNQCLSA-N 1 1 347.394 0.698 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@@H+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC001001129215 746099042 /nfs/dbraw/zinc/09/90/42/746099042.db2.gz RYRCLUKKMHOSBS-KRWDZBQOSA-N 1 1 338.411 0.656 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3[nH]c(C)c(C(N)=O)c3CC)[C@@H]2C1 ZINC000978257473 746127744 /nfs/dbraw/zinc/12/77/44/746127744.db2.gz QZDVXIRXAGZTSJ-QKDCVEJESA-N 1 1 342.443 0.915 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001001181840 746144387 /nfs/dbraw/zinc/14/43/87/746144387.db2.gz MZYBSVYYFLVDLP-OAHLLOKOSA-N 1 1 330.436 0.950 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3ccnnc3)CC2)C1=O ZINC001001197629 746154250 /nfs/dbraw/zinc/15/42/50/746154250.db2.gz LMCNQCSQFGIHBB-INIZCTEOSA-N 1 1 341.415 0.625 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1CC ZINC001087658985 746163040 /nfs/dbraw/zinc/16/30/40/746163040.db2.gz GUMRARDCVMBYMS-LSDHHAIUSA-N 1 1 341.477 0.404 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001001231562 746190352 /nfs/dbraw/zinc/19/03/52/746190352.db2.gz WYKTVFCLJLCEQZ-PMPSAXMXSA-N 1 1 335.448 0.636 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)cc1 ZINC001041986348 782551207 /nfs/dbraw/zinc/55/12/07/782551207.db2.gz PRQFRQHGSTWQHY-CVEARBPZSA-N 1 1 326.400 0.856 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC001001265061 746225422 /nfs/dbraw/zinc/22/54/22/746225422.db2.gz AJQAULJWLQZMBD-UHFFFAOYSA-N 1 1 339.399 0.716 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4ccccn4c3=O)[C@@H]2C1 ZINC000978370753 746233811 /nfs/dbraw/zinc/23/38/11/746233811.db2.gz RIVALUCGEKYCHX-MKZZRHPPSA-N 1 1 336.395 0.625 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cn[nH]n4)[C@@H]3C2)cc1F ZINC000978381561 746251773 /nfs/dbraw/zinc/25/17/73/746251773.db2.gz AJPCDJNMOJGPLM-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn[nH]4)[C@@H]3C2)cc1F ZINC000978381561 746251775 /nfs/dbraw/zinc/25/17/75/746251775.db2.gz AJPCDJNMOJGPLM-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn[nH]4)[C@@H]3C2)cc1F ZINC000978381561 746251778 /nfs/dbraw/zinc/25/17/78/746251778.db2.gz AJPCDJNMOJGPLM-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO C=C1CCC(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001001305118 746263082 /nfs/dbraw/zinc/26/30/82/746263082.db2.gz VRZDZAJWLMBMNP-MRXNPFEDSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C1CCC(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001001305118 746263087 /nfs/dbraw/zinc/26/30/87/746263087.db2.gz VRZDZAJWLMBMNP-MRXNPFEDSA-N 1 1 335.448 0.638 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001001309591 746266837 /nfs/dbraw/zinc/26/68/37/746266837.db2.gz GWIMNJSDOGJOBR-OAHLLOKOSA-N 1 1 331.420 0.863 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2CC)cc1 ZINC001087753822 746286465 /nfs/dbraw/zinc/28/64/65/746286465.db2.gz ZDHWWQSEOSVDGP-JKSUJKDBSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2CC)cc1 ZINC001087753822 746286469 /nfs/dbraw/zinc/28/64/69/746286469.db2.gz ZDHWWQSEOSVDGP-JKSUJKDBSA-N 1 1 329.400 0.767 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087757731 746290890 /nfs/dbraw/zinc/29/08/90/746290890.db2.gz JGKLDDOCLGWJAS-MJBXVCDLSA-N 1 1 329.466 0.566 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2ccon2)C1 ZINC000984341577 746310838 /nfs/dbraw/zinc/31/08/38/746310838.db2.gz AXPVAJQFAFLCAQ-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2ccon2)C1 ZINC000984341577 746310844 /nfs/dbraw/zinc/31/08/44/746310844.db2.gz AXPVAJQFAFLCAQ-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cccnn3)C2)C1=O ZINC001027624302 746336268 /nfs/dbraw/zinc/33/62/68/746336268.db2.gz DGRSACWMXVXGSP-HOCLYGCPSA-N 1 1 343.431 0.800 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cncc(-n4ccnn4)c3)[C@@H]2C1 ZINC000978544846 746411410 /nfs/dbraw/zinc/41/14/10/746411410.db2.gz KHURDEIOLOENNM-OSYLJGHBSA-N 1 1 336.399 0.593 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1 ZINC000978546525 746413955 /nfs/dbraw/zinc/41/39/55/746413955.db2.gz MCERAXCFZUQLPK-XYYAHUGASA-N 1 1 327.388 0.425 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1CC ZINC001087840745 746470033 /nfs/dbraw/zinc/47/00/33/746470033.db2.gz MEMIIDRMRPHFNQ-GXTWGEPZSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)C1=O ZINC001027644826 746479926 /nfs/dbraw/zinc/47/99/26/746479926.db2.gz LUGXTJDGIGPDNK-ZIAGYGMSSA-N 1 1 346.435 0.057 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnnc(C)c2)C1 ZINC001001590581 746519594 /nfs/dbraw/zinc/51/95/94/746519594.db2.gz NPRIISZYWUYJTJ-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnnc(C)c2)C1 ZINC001001590581 746519596 /nfs/dbraw/zinc/51/95/96/746519596.db2.gz NPRIISZYWUYJTJ-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)/C=C(\C)C3CC3)[C@H](OC)C2)C1=O ZINC001211954110 752098959 /nfs/dbraw/zinc/09/89/59/752098959.db2.gz HBJLDEPXXNCHLZ-ZMBBTRSQSA-N 1 1 347.459 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)/C=C(\C)C3CC3)[C@H](OC)C2)C1=O ZINC001211954110 752098962 /nfs/dbraw/zinc/09/89/62/752098962.db2.gz HBJLDEPXXNCHLZ-ZMBBTRSQSA-N 1 1 347.459 0.945 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC000978643816 746536150 /nfs/dbraw/zinc/53/61/50/746536150.db2.gz NBXTXVJWYHPLNT-PHZGNYQRSA-N 1 1 349.394 0.749 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@]2(C)C1 ZINC000982397601 752103005 /nfs/dbraw/zinc/10/30/05/752103005.db2.gz POJMTCQJSTXNGE-MQOOWTBDSA-N 1 1 332.444 0.842 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CCOCC3)C2)cc1 ZINC001007118006 752103952 /nfs/dbraw/zinc/10/39/52/752103952.db2.gz VXDSDBFBBBKSIV-SFHVURJKSA-N 1 1 342.443 0.971 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978682870 746580972 /nfs/dbraw/zinc/58/09/72/746580972.db2.gz DMAFHKAQZVLLAQ-OSAQELSMSA-N 1 1 329.404 0.605 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978694109 746589964 /nfs/dbraw/zinc/58/99/64/746589964.db2.gz BLFJQPGTGVGPCQ-XBXGTLAGSA-N 1 1 340.387 0.716 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000978699549 746595285 /nfs/dbraw/zinc/59/52/85/746595285.db2.gz YZMABMYSBMXLEO-BNOWGMLFSA-N 1 1 329.404 0.463 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001027663931 746650743 /nfs/dbraw/zinc/65/07/43/746650743.db2.gz MGMDSYAPQBKHNG-GDBMZVCRSA-N 1 1 343.493 0.957 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059399795 746653150 /nfs/dbraw/zinc/65/31/50/746653150.db2.gz XCGTUDNFJSNMHP-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059399795 746653153 /nfs/dbraw/zinc/65/31/53/746653153.db2.gz XCGTUDNFJSNMHP-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001001742000 746677454 /nfs/dbraw/zinc/67/74/54/746677454.db2.gz MWYUNFPDXBMIRI-OLZOCXBDSA-N 1 1 325.359 0.314 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001001742000 746677457 /nfs/dbraw/zinc/67/74/57/746677457.db2.gz MWYUNFPDXBMIRI-OLZOCXBDSA-N 1 1 325.359 0.314 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)CC[C@@H]3C2)c[nH]1 ZINC001087940833 746695068 /nfs/dbraw/zinc/69/50/68/746695068.db2.gz YOBZHZSGRHROGY-OCCSQVGLSA-N 1 1 341.415 0.559 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCN(C)C2=O)c1 ZINC001029467083 746701089 /nfs/dbraw/zinc/70/10/89/746701089.db2.gz YXQFZDASJBKPNO-IXDOHACOSA-N 1 1 338.411 0.582 20 30 ECEDMO C=C(Br)C[NH+]1CCC(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001782430 746719111 /nfs/dbraw/zinc/71/91/11/746719111.db2.gz LPJYKGMSCXRCNJ-LLVKDONJSA-N 1 1 345.241 0.405 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@@H](CC)OC)C[C@H]32)nn1 ZINC000978822388 746750525 /nfs/dbraw/zinc/75/05/25/746750525.db2.gz XUUGLRAIUBJYAV-TUVASFSCSA-N 1 1 333.436 0.797 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(CNC(C)=O)o3)[C@@H]2C1 ZINC000978843426 746771046 /nfs/dbraw/zinc/77/10/46/746771046.db2.gz DQDUSRQIJQQFDH-PHZGNYQRSA-N 1 1 329.400 0.847 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4cc[nH]cc-4c3=O)C[C@@H]2C1 ZINC001087981816 746782936 /nfs/dbraw/zinc/78/29/36/746782936.db2.gz XGZBYGLSESPYNP-KGLIPLIRSA-N 1 1 336.395 0.950 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC000978850717 746797420 /nfs/dbraw/zinc/79/74/20/746797420.db2.gz CLRKDUOTOMGHBP-CNDDSTCGSA-N 1 1 325.796 0.086 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)C[C@@H]2C1 ZINC001087984737 746825732 /nfs/dbraw/zinc/82/57/32/746825732.db2.gz OOOJJSHJQWQJPB-IKGGRYGDSA-N 1 1 331.460 0.904 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027692399 746849613 /nfs/dbraw/zinc/84/96/13/746849613.db2.gz IBBLNDUHQXVAIL-NSHDSACASA-N 1 1 340.815 0.052 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027692399 746849617 /nfs/dbraw/zinc/84/96/17/746849617.db2.gz IBBLNDUHQXVAIL-NSHDSACASA-N 1 1 340.815 0.052 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C(F)F ZINC001002000754 746880141 /nfs/dbraw/zinc/88/01/41/746880141.db2.gz WLZGVWIRTADZEY-STQMWFEESA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C(F)F ZINC001002000754 746880149 /nfs/dbraw/zinc/88/01/49/746880149.db2.gz WLZGVWIRTADZEY-STQMWFEESA-N 1 1 327.375 0.799 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC000978944466 746927191 /nfs/dbraw/zinc/92/71/91/746927191.db2.gz KWKXTTRAECEAAB-ZSOGYDGISA-N 1 1 344.415 0.300 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C)on2)C1 ZINC000978953093 746946639 /nfs/dbraw/zinc/94/66/39/746946639.db2.gz KSZQAQUJTSWVOU-LZWOXQAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C)on2)C1 ZINC000978953093 746946643 /nfs/dbraw/zinc/94/66/43/746946643.db2.gz KSZQAQUJTSWVOU-LZWOXQAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000978953783 746948286 /nfs/dbraw/zinc/94/82/86/746948286.db2.gz RBBLXJNNFDPJPI-FZKCQIBNSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000978953783 746948291 /nfs/dbraw/zinc/94/82/91/746948291.db2.gz RBBLXJNNFDPJPI-FZKCQIBNSA-N 1 1 333.432 0.274 20 30 ECEDMO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992056 746951722 /nfs/dbraw/zinc/95/17/22/746951722.db2.gz BDCKQEXKVNFEGE-RYRKJORJSA-N 1 1 346.475 0.934 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978971176 746974949 /nfs/dbraw/zinc/97/49/49/746974949.db2.gz QNNQOAKOCYBFOH-TUVASFSCSA-N 1 1 331.420 0.723 20 30 ECEDMO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001059446241 746980506 /nfs/dbraw/zinc/98/05/06/746980506.db2.gz NKNIEVHUAFYGLT-NZBPQXDJSA-N 1 1 342.403 0.271 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@H]32)nc1 ZINC000978997222 747013185 /nfs/dbraw/zinc/01/31/85/747013185.db2.gz XFCYPZDLXHGXDM-PHZGNYQRSA-N 1 1 336.399 0.299 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@H]32)nc1 ZINC000978997222 747013195 /nfs/dbraw/zinc/01/31/95/747013195.db2.gz XFCYPZDLXHGXDM-PHZGNYQRSA-N 1 1 336.399 0.299 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)nc1 ZINC000979022557 747051782 /nfs/dbraw/zinc/05/17/82/747051782.db2.gz WPGUNCASRQBUBM-CYUUQNCZSA-N 1 1 326.400 0.105 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ncccn4)C[C@H]32)cn1 ZINC000979015064 747060621 /nfs/dbraw/zinc/06/06/21/747060621.db2.gz IBAORMIODKYWDB-OSYLJGHBSA-N 1 1 333.395 0.961 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ncccn4)C[C@H]32)cn1 ZINC000979015064 747060626 /nfs/dbraw/zinc/06/06/26/747060626.db2.gz IBAORMIODKYWDB-OSYLJGHBSA-N 1 1 333.395 0.961 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@@H]2C1 ZINC001088017765 747069940 /nfs/dbraw/zinc/06/99/40/747069940.db2.gz QRTWFKRHYAAFBY-YPMHNXCESA-N 1 1 339.417 0.507 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(CNC(N)=O)cc3)[C@@H]2C1 ZINC000979043189 747073602 /nfs/dbraw/zinc/07/36/02/747073602.db2.gz GRFXTVALHZAROT-PHZGNYQRSA-N 1 1 328.416 0.949 20 30 ECEDMO NC(=O)CC(=O)N1CC[C@@H]2CC[N@@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001041987383 782555297 /nfs/dbraw/zinc/55/52/97/782555297.db2.gz ZQXRPPLWAZTBHH-IRXDYDNUSA-N 1 1 325.412 0.836 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000979079218 747131555 /nfs/dbraw/zinc/13/15/55/747131555.db2.gz BJFXVWQFNVBALC-HRCADAONSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088043338 747136140 /nfs/dbraw/zinc/13/61/40/747136140.db2.gz MLEJEKIVXRTJKV-TWMKSMIVSA-N 1 1 347.459 0.603 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000979086454 747153065 /nfs/dbraw/zinc/15/30/65/747153065.db2.gz NTEUGXPJZYNRER-XKQJLSEDSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)C2=COCCO2)C1=O ZINC001027739414 747310999 /nfs/dbraw/zinc/31/09/99/747310999.db2.gz PITUTMYSZVNLNJ-UONOGXRCSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)C2=COCCO2)C1=O ZINC001027739414 747311005 /nfs/dbraw/zinc/31/10/05/747311005.db2.gz PITUTMYSZVNLNJ-UONOGXRCSA-N 1 1 335.404 0.242 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)CC[C@@H]3C2)C1 ZINC001088098518 747383848 /nfs/dbraw/zinc/38/38/48/747383848.db2.gz NXXACNIRNKJLQT-ILXRZTDVSA-N 1 1 345.443 0.928 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001002462078 747384412 /nfs/dbraw/zinc/38/44/12/747384412.db2.gz LEQYDDTWFGSTRJ-MRXNPFEDSA-N 1 1 326.400 0.917 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001007199453 752182668 /nfs/dbraw/zinc/18/26/68/752182668.db2.gz NEHWTTFPSKYYLP-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001007199453 752182670 /nfs/dbraw/zinc/18/26/70/752182670.db2.gz NEHWTTFPSKYYLP-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088126018 747439744 /nfs/dbraw/zinc/43/97/44/747439744.db2.gz LAZKPHRQOQEIIN-ILXRZTDVSA-N 1 1 326.462 0.778 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088126018 747439747 /nfs/dbraw/zinc/43/97/47/747439747.db2.gz LAZKPHRQOQEIIN-ILXRZTDVSA-N 1 1 326.462 0.778 20 30 ECEDMO CN1CCO[C@H](C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001002522157 747466635 /nfs/dbraw/zinc/46/66/35/747466635.db2.gz IEHZQWFOBGBSLI-IBGZPJMESA-N 1 1 341.455 0.949 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)NC(=O)NC4=O)C[C@@H]2C1 ZINC001088137217 747469342 /nfs/dbraw/zinc/46/93/42/747469342.db2.gz DOMQZBXUQJWOFX-VUULHSHRSA-N 1 1 346.431 0.331 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnn(C)c2C)C1=O ZINC001027758452 747475582 /nfs/dbraw/zinc/47/55/82/747475582.db2.gz ZAIXGDXRQACCCM-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnn(C)c2C)C1=O ZINC001027758452 747475584 /nfs/dbraw/zinc/47/55/84/747475584.db2.gz ZAIXGDXRQACCCM-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCN(C)C2=O)nc1 ZINC001029558731 747504478 /nfs/dbraw/zinc/50/44/78/747504478.db2.gz RZAHMUAPVIDKAF-HLLBOEOZSA-N 1 1 338.411 0.582 20 30 ECEDMO C[C@@H]([NH2+]Cc1nncs1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979283898 747532659 /nfs/dbraw/zinc/53/26/59/747532659.db2.gz ALNYIJBGBUMUKE-MFKMUULPSA-N 1 1 346.416 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]2C1 ZINC001088151893 747538630 /nfs/dbraw/zinc/53/86/30/747538630.db2.gz AKJRBDJDYQZFHS-SJORKVTESA-N 1 1 342.443 0.664 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]2C1 ZINC001088152305 747539524 /nfs/dbraw/zinc/53/95/24/747539524.db2.gz WZLMGIYPSSKZJW-CVEARBPZSA-N 1 1 328.416 0.274 20 30 ECEDMO C[C@@H]([NH2+]Cc1nncs1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979298068 747565962 /nfs/dbraw/zinc/56/59/62/747565962.db2.gz WJBXEUPZHQVFQS-MFKMUULPSA-N 1 1 346.416 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnsn2)C1=O ZINC001027771327 747588939 /nfs/dbraw/zinc/58/89/39/747588939.db2.gz NHHYBKZWKMLFOG-DGCLKSJQSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnsn2)C1=O ZINC001027771327 747588945 /nfs/dbraw/zinc/58/89/45/747588945.db2.gz NHHYBKZWKMLFOG-DGCLKSJQSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)Cn3cccn3)CC2)C1=O ZINC000985268439 747611922 /nfs/dbraw/zinc/61/19/22/747611922.db2.gz ARGFKZSOSXICGA-INIZCTEOSA-N 1 1 345.447 0.593 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)CN3CN=NC3=O)CC2)s1 ZINC001002647783 747613591 /nfs/dbraw/zinc/61/35/91/747613591.db2.gz GFHBVPZGHVNIBJ-UHFFFAOYSA-N 1 1 346.416 0.698 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000979324602 747614287 /nfs/dbraw/zinc/61/42/87/747614287.db2.gz JGGOXWBTXPMZPK-JKJDWNRSSA-N 1 1 335.448 0.683 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979328346 747620300 /nfs/dbraw/zinc/62/03/00/747620300.db2.gz HFWMLURCOYBWKN-HIFRSBDPSA-N 1 1 331.420 0.417 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979315579 747626328 /nfs/dbraw/zinc/62/63/28/747626328.db2.gz SARUGZZXOJSTRG-DDHJSBNISA-N 1 1 343.431 0.709 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cn[nH]c3)CC2)C1=O ZINC000985290203 747645832 /nfs/dbraw/zinc/64/58/32/747645832.db2.gz OLHRDHNHZPXFDX-HNNXBMFYSA-N 1 1 331.420 0.733 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nc(C4CC4)nn3C)C[C@@H]2C1 ZINC001088207607 747748618 /nfs/dbraw/zinc/74/86/18/747748618.db2.gz QSIVPSWVEZNBNM-CABCVRRESA-N 1 1 327.432 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 ZINC001088230874 747783483 /nfs/dbraw/zinc/78/34/83/747783483.db2.gz BKTIHPOLTVJPGS-MSOLQXFVSA-N 1 1 349.475 0.280 20 30 ECEDMO NC(=O)CC(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC001041987384 782556820 /nfs/dbraw/zinc/55/68/20/782556820.db2.gz ZQXRPPLWAZTBHH-SJORKVTESA-N 1 1 325.412 0.836 20 30 ECEDMO CNC(=O)C[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001088233698 747796318 /nfs/dbraw/zinc/79/63/18/747796318.db2.gz XOAPSSYIXMBHEE-QGZVFWFLSA-N 1 1 347.459 0.475 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@H](OCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001088233698 747796322 /nfs/dbraw/zinc/79/63/22/747796322.db2.gz XOAPSSYIXMBHEE-QGZVFWFLSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1 ZINC001088234014 747802020 /nfs/dbraw/zinc/80/20/20/747802020.db2.gz GLJMUSGPCCFNEF-SCTDSRPQSA-N 1 1 332.444 0.986 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001088235296 747814654 /nfs/dbraw/zinc/81/46/54/747814654.db2.gz OABOCSYAHWPHER-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001027796758 747819200 /nfs/dbraw/zinc/81/92/00/747819200.db2.gz KNIUSGNVRWSMOH-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001027796758 747819209 /nfs/dbraw/zinc/81/92/09/747819209.db2.gz KNIUSGNVRWSMOH-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001088237353 747837698 /nfs/dbraw/zinc/83/76/98/747837698.db2.gz QVWPSPIHIUCZPK-HZPDHXFCSA-N 1 1 348.447 0.021 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001002826575 747839798 /nfs/dbraw/zinc/83/97/98/747839798.db2.gz NILUAXCXODLDPA-YJBOKZPZSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001002826575 747839806 /nfs/dbraw/zinc/83/98/06/747839806.db2.gz NILUAXCXODLDPA-YJBOKZPZSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2coc(CC)n2)C1 ZINC001002829253 747844939 /nfs/dbraw/zinc/84/49/39/747844939.db2.gz JYRATIIRJLTWDC-HNNXBMFYSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2coc(CC)n2)C1 ZINC001002829253 747844943 /nfs/dbraw/zinc/84/49/43/747844943.db2.gz JYRATIIRJLTWDC-HNNXBMFYSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnn(CC)c2)C1 ZINC001002830055 747846529 /nfs/dbraw/zinc/84/65/29/747846529.db2.gz QCYDAKGJQATKAU-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnn(CC)c2)C1 ZINC001002830055 747846535 /nfs/dbraw/zinc/84/65/35/747846535.db2.gz QCYDAKGJQATKAU-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000988500928 752219334 /nfs/dbraw/zinc/21/93/34/752219334.db2.gz LPWMBQMCFQJIAG-CMPLNLGQSA-N 1 1 340.391 0.601 20 30 ECEDMO C#CCN1CC[C@@H](OCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001088239716 747935158 /nfs/dbraw/zinc/93/51/58/747935158.db2.gz DVBMWPHVCPOWGX-ZWKOTPCHSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCN1CC[C@@H](OCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001088239716 747935161 /nfs/dbraw/zinc/93/51/61/747935161.db2.gz DVBMWPHVCPOWGX-ZWKOTPCHSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001088240086 747942495 /nfs/dbraw/zinc/94/24/95/747942495.db2.gz OTIWURYUCQUYBN-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cccc(=O)[nH]2)C1=O ZINC001027811120 747969910 /nfs/dbraw/zinc/96/99/10/747969910.db2.gz AXTSMKHCZUKTLS-ZFWWWQNUSA-N 1 1 344.415 0.768 20 30 ECEDMO Cn1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)cc1=O ZINC001027813387 748003826 /nfs/dbraw/zinc/00/38/26/748003826.db2.gz SYKLTVJDSLOXTM-OAHLLOKOSA-N 1 1 339.399 0.979 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001003037634 748105549 /nfs/dbraw/zinc/10/55/49/748105549.db2.gz ZGDXULFQWXKTAF-OAHLLOKOSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000985459556 748108284 /nfs/dbraw/zinc/10/82/84/748108284.db2.gz KOFFJYIUYJGKPN-UHFFFAOYSA-N 1 1 329.466 0.521 20 30 ECEDMO Cn1ncc(C[N@H+](C)C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001029707665 748109521 /nfs/dbraw/zinc/10/95/21/748109521.db2.gz DTJFBYKVXXJZPZ-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001029707665 748109524 /nfs/dbraw/zinc/10/95/24/748109524.db2.gz DTJFBYKVXXJZPZ-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc[nH]c(=O)c2)C1=O ZINC001027822276 748119923 /nfs/dbraw/zinc/11/99/23/748119923.db2.gz CGCXIUQSOHWJAQ-HUUCEWRRSA-N 1 1 344.415 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN([C@H](C)c2nncn2C)CC1 ZINC001003056212 748124562 /nfs/dbraw/zinc/12/45/62/748124562.db2.gz NCHUJEXNWFGSOI-ZBFHGGJFSA-N 1 1 344.463 0.554 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN([C@H](C)c2nncn2C)CC1 ZINC001003056212 748124566 /nfs/dbraw/zinc/12/45/66/748124566.db2.gz NCHUJEXNWFGSOI-ZBFHGGJFSA-N 1 1 344.463 0.554 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nccn2C)CC1 ZINC001003055750 748124735 /nfs/dbraw/zinc/12/47/35/748124735.db2.gz KGTOJOWMAXRVBD-INIZCTEOSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nccn2C)CC1 ZINC001003055750 748124738 /nfs/dbraw/zinc/12/47/38/748124738.db2.gz KGTOJOWMAXRVBD-INIZCTEOSA-N 1 1 329.448 0.598 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000979616199 748125097 /nfs/dbraw/zinc/12/50/97/748125097.db2.gz YZMABMYSBMXLEO-UBHSHLNASA-N 1 1 329.404 0.463 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001003056225 748125273 /nfs/dbraw/zinc/12/52/73/748125273.db2.gz NOWFLEJEGZNKOV-KRWDZBQOSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2csnn2)CC1 ZINC001003056366 748125713 /nfs/dbraw/zinc/12/57/13/748125713.db2.gz QKUGIGNIRMIXKY-HNNXBMFYSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2csnn2)CC1 ZINC001003056366 748125715 /nfs/dbraw/zinc/12/57/15/748125715.db2.gz QKUGIGNIRMIXKY-HNNXBMFYSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2nonc2C)CC1 ZINC000985475339 748215962 /nfs/dbraw/zinc/21/59/62/748215962.db2.gz KNAJCRHZCSMEPF-KRWDZBQOSA-N 1 1 345.447 0.898 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC000979677173 748229305 /nfs/dbraw/zinc/22/93/05/748229305.db2.gz VYKZCTHCZPATJW-MELADBBJSA-N 1 1 343.431 0.805 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C[C@H]2CCc3ncnn32)[nH]1 ZINC001027830885 748271845 /nfs/dbraw/zinc/27/18/45/748271845.db2.gz IPYZMBOBGXOKHE-UONOGXRCSA-N 1 1 339.403 0.860 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027831707 748287462 /nfs/dbraw/zinc/28/74/62/748287462.db2.gz UBFDKJXQIAAQKF-GDBMZVCRSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027831707 748287467 /nfs/dbraw/zinc/28/74/67/748287467.db2.gz UBFDKJXQIAAQKF-GDBMZVCRSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027835381 748381571 /nfs/dbraw/zinc/38/15/71/748381571.db2.gz BIDXISIFUAZXCK-HOTGVXAUSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027835381 748381577 /nfs/dbraw/zinc/38/15/77/748381577.db2.gz BIDXISIFUAZXCK-HOTGVXAUSA-N 1 1 341.415 0.867 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027836185 748399918 /nfs/dbraw/zinc/39/99/18/748399918.db2.gz PFVKWWHQPMONGC-XHDPSFHLSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027836185 748399933 /nfs/dbraw/zinc/39/99/33/748399933.db2.gz PFVKWWHQPMONGC-XHDPSFHLSA-N 1 1 329.404 0.748 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(=O)n(C)cn3)C[C@@H]2C1 ZINC000979799257 748415480 /nfs/dbraw/zinc/41/54/80/748415480.db2.gz YSWJPUQNBPJJKC-RRFJBIMHSA-N 1 1 328.416 0.634 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 ZINC001075857916 748415610 /nfs/dbraw/zinc/41/56/10/748415610.db2.gz MGGBVBWUZUJVEF-UONOGXRCSA-N 1 1 327.450 0.131 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cnc4n3CCOC4)C[C@H]2C1 ZINC000979799140 748415873 /nfs/dbraw/zinc/41/58/73/748415873.db2.gz YJSHWNFOIJDQJT-KKUMJFAQSA-N 1 1 328.416 0.877 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(=O)CCC)C2)nn1 ZINC001098630440 748432974 /nfs/dbraw/zinc/43/29/74/748432974.db2.gz SBXBNLCBPAGIJO-AWEZNQCLSA-N 1 1 334.424 0.243 20 30 ECEDMO Cn1nnnc1C[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001088299047 748562855 /nfs/dbraw/zinc/56/28/55/748562855.db2.gz CMCNTTSXGRIXCX-CYBMUJFWSA-N 1 1 342.407 0.584 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001059587013 748614378 /nfs/dbraw/zinc/61/43/78/748614378.db2.gz BFHFSALBJGELQZ-MBNYWOFBSA-N 1 1 330.392 0.046 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001059587013 748614386 /nfs/dbraw/zinc/61/43/86/748614386.db2.gz BFHFSALBJGELQZ-MBNYWOFBSA-N 1 1 330.392 0.046 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001029826602 748627699 /nfs/dbraw/zinc/62/76/99/748627699.db2.gz SKONIBMIZWZWHD-GUYCJALGSA-N 1 1 335.452 0.991 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001003531608 748650467 /nfs/dbraw/zinc/65/04/67/748650467.db2.gz YRMPWMJNWSERRX-QGZVFWFLSA-N 1 1 341.411 0.187 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001003531608 748650468 /nfs/dbraw/zinc/65/04/68/748650468.db2.gz YRMPWMJNWSERRX-QGZVFWFLSA-N 1 1 341.411 0.187 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cn(C)nn3)C2)c1 ZINC001029834791 748667295 /nfs/dbraw/zinc/66/72/95/748667295.db2.gz IORFXHJGFYZVPJ-HNNXBMFYSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cn(C)nn3)C2)c1 ZINC001029834791 748667301 /nfs/dbraw/zinc/66/73/01/748667301.db2.gz IORFXHJGFYZVPJ-HNNXBMFYSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCN(C)C3=O)C2)c1 ZINC001029835555 748668884 /nfs/dbraw/zinc/66/88/84/748668884.db2.gz SXNYVFCXKOXIGG-NVXWUHKLSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2nccc(C)n2)C1=O ZINC001027852118 748682013 /nfs/dbraw/zinc/68/20/13/748682013.db2.gz AKWXAQBAJAJFIO-GJZGRUSLSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nccc(C)n2)C1=O ZINC001027852118 748682016 /nfs/dbraw/zinc/68/20/16/748682016.db2.gz AKWXAQBAJAJFIO-GJZGRUSLSA-N 1 1 343.431 0.766 20 30 ECEDMO C=C(Br)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985608379 748737687 /nfs/dbraw/zinc/73/76/87/748737687.db2.gz QOCOLAYNVBMKJE-NSHDSACASA-N 1 1 345.241 0.499 20 30 ECEDMO C=C(Br)C[N@H+](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985608379 748737689 /nfs/dbraw/zinc/73/76/89/748737689.db2.gz QOCOLAYNVBMKJE-NSHDSACASA-N 1 1 345.241 0.499 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CS(=O)(=O)C3)C[C@@H]2C1 ZINC000979979047 748756415 /nfs/dbraw/zinc/75/64/15/748756415.db2.gz JYOHOKFDJRRULY-ARFHVFGLSA-N 1 1 338.473 0.661 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@@H+](C)Cc3cnn(C)n3)CC2)c1 ZINC000985636858 748772850 /nfs/dbraw/zinc/77/28/50/748772850.db2.gz CBBINPMFFBWLRY-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@H+](C)Cc3cnn(C)n3)CC2)c1 ZINC000985636858 748772853 /nfs/dbraw/zinc/77/28/53/748772853.db2.gz CBBINPMFFBWLRY-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC)CCC1 ZINC001058815932 748788533 /nfs/dbraw/zinc/78/85/33/748788533.db2.gz AVRXRZLKGCCSHG-UHFFFAOYSA-N 1 1 337.464 0.459 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)c1 ZINC001027859442 748791021 /nfs/dbraw/zinc/79/10/21/748791021.db2.gz QQTZPTZUVVXHFI-LSDHHAIUSA-N 1 1 328.372 0.747 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059614771 748820312 /nfs/dbraw/zinc/82/03/12/748820312.db2.gz WZGWVDIGHANKCX-BRWVUGGUSA-N 1 1 349.475 0.720 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059614771 748820317 /nfs/dbraw/zinc/82/03/17/748820317.db2.gz WZGWVDIGHANKCX-BRWVUGGUSA-N 1 1 349.475 0.720 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC000985660259 748827864 /nfs/dbraw/zinc/82/78/64/748827864.db2.gz FUQMKRDDDJIZCG-KFWWJZLASA-N 1 1 349.431 0.306 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001003763072 748870184 /nfs/dbraw/zinc/87/01/84/748870184.db2.gz KEDBKSBGQDATCR-XHSDSOJGSA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)Cc3ncc[nH]3)CC2)C1=O ZINC000985714319 748940524 /nfs/dbraw/zinc/94/05/24/748940524.db2.gz AVFPTAOAJFDLGH-HNNXBMFYSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCN(C)C3=O)C2)nn1 ZINC001029860193 748962780 /nfs/dbraw/zinc/96/27/80/748962780.db2.gz NZENNMPHAVXSEG-DZGCQCFKSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3ccn(C)n3)C2)nn1 ZINC001029860377 748966087 /nfs/dbraw/zinc/96/60/87/748966087.db2.gz QYHOYZXRNSINCU-CQSZACIVSA-N 1 1 343.435 0.792 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)[C@@H]3CCN(C)C3=O)CC2)nc1 ZINC000985756097 749019396 /nfs/dbraw/zinc/01/93/96/749019396.db2.gz CDDDUQPGFQJDSB-QGZVFWFLSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001059645522 749086030 /nfs/dbraw/zinc/08/60/30/749086030.db2.gz DSTIRLYOORBBSD-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000980158696 749087180 /nfs/dbraw/zinc/08/71/80/749087180.db2.gz AILYQTIMSAAKFX-HLLBOEOZSA-N 1 1 343.402 0.879 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059648261 749113363 /nfs/dbraw/zinc/11/33/63/749113363.db2.gz PJIGAMFTLJHARQ-HOTGVXAUSA-N 1 1 335.448 0.333 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000985793461 749115762 /nfs/dbraw/zinc/11/57/62/749115762.db2.gz RRKQIBFWSOBODJ-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)cn1 ZINC001003998187 749124637 /nfs/dbraw/zinc/12/46/37/749124637.db2.gz SVJUXNVIMMJMDC-UHFFFAOYSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCOCC3)C[C@H]2C1 ZINC000980185056 749134313 /nfs/dbraw/zinc/13/43/13/749134313.db2.gz SNKYSPPLTXEXHM-YESZJQIVSA-N 1 1 333.476 0.947 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C#N)nc1 ZINC001126254464 749146065 /nfs/dbraw/zinc/14/60/65/749146065.db2.gz JSTWTUAVLNASKI-MRXNPFEDSA-N 1 1 331.420 0.616 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(C#N)cn1 ZINC001126255318 749150950 /nfs/dbraw/zinc/15/09/50/749150950.db2.gz SSTXLAATWBTOAP-HNNXBMFYSA-N 1 1 331.420 0.616 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)CC1 ZINC000985824499 749177256 /nfs/dbraw/zinc/17/72/56/749177256.db2.gz GKYCQFHCVBIQEV-OAHLLOKOSA-N 1 1 333.436 0.604 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)CC1 ZINC000985827008 749184290 /nfs/dbraw/zinc/18/42/90/749184290.db2.gz VOAKWLMGQMQHGO-JKSUJKDBSA-N 1 1 332.448 0.548 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)ccc3=O)C[C@H]2C1 ZINC000980211282 749190958 /nfs/dbraw/zinc/19/09/58/749190958.db2.gz GHYCHOMGTMMJJD-JYJNAYRXSA-N 1 1 328.416 0.402 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000980246480 749234810 /nfs/dbraw/zinc/23/48/10/749234810.db2.gz QLQYOKADMUEDHK-RRFJBIMHSA-N 1 1 348.447 0.721 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc4ncccn4n3)C[C@H]2C1 ZINC000980242955 749248019 /nfs/dbraw/zinc/24/80/19/749248019.db2.gz VCRJUZWSZVBPMW-KKUMJFAQSA-N 1 1 338.415 0.517 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(CC(N)=O)nn3)C[C@@H]2C1 ZINC000980251826 749257589 /nfs/dbraw/zinc/25/75/89/749257589.db2.gz GPWXWRDSPDAARH-MJBXVCDLSA-N 1 1 346.435 0.170 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)n3C)C[C@H]2C1 ZINC000980257281 749264349 /nfs/dbraw/zinc/26/43/49/749264349.db2.gz SZVQBRASBNRSGK-KKUMJFAQSA-N 1 1 330.432 0.577 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001004169367 749284232 /nfs/dbraw/zinc/28/42/32/749284232.db2.gz KLALPEADSCQNDV-AWEZNQCLSA-N 1 1 348.834 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001004169367 749284235 /nfs/dbraw/zinc/28/42/35/749284235.db2.gz KLALPEADSCQNDV-AWEZNQCLSA-N 1 1 348.834 0.954 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC001004199978 749306788 /nfs/dbraw/zinc/30/67/88/749306788.db2.gz YVMKMAKGQKKALX-UHFFFAOYSA-N 1 1 337.383 0.456 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059674935 749345532 /nfs/dbraw/zinc/34/55/32/749345532.db2.gz XDHLGXAROXWIPN-HZPDHXFCSA-N 1 1 335.448 0.333 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC000980405093 749503935 /nfs/dbraw/zinc/50/39/35/749503935.db2.gz FGVBWWCVVWCOIO-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001004474779 749544349 /nfs/dbraw/zinc/54/43/49/749544349.db2.gz DYOMWHJRHNFMID-HNNXBMFYSA-N 1 1 346.431 0.838 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC001027937668 749617547 /nfs/dbraw/zinc/61/75/47/749617547.db2.gz WQZGCZBJGCKNFI-ZFWWWQNUSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001027937668 749617549 /nfs/dbraw/zinc/61/75/49/749617549.db2.gz WQZGCZBJGCKNFI-ZFWWWQNUSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)[C@H]3CCN(C)C3=O)C2)CC1 ZINC000980477488 749629928 /nfs/dbraw/zinc/62/99/28/749629928.db2.gz HAWGZICATUHPJE-IRXDYDNUSA-N 1 1 346.475 0.095 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cnc(C)nc1 ZINC001027942747 749666909 /nfs/dbraw/zinc/66/69/09/749666909.db2.gz GVKPTQRCTUBKFD-MSOLQXFVSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cnc(C)nc1 ZINC001027942747 749666915 /nfs/dbraw/zinc/66/69/15/749666915.db2.gz GVKPTQRCTUBKFD-MSOLQXFVSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cnc(C)nc1 ZINC001027942747 749666921 /nfs/dbraw/zinc/66/69/21/749666921.db2.gz GVKPTQRCTUBKFD-MSOLQXFVSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cnc(C)nc1 ZINC001027942747 749666926 /nfs/dbraw/zinc/66/69/26/749666926.db2.gz GVKPTQRCTUBKFD-MSOLQXFVSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC001004615300 749690248 /nfs/dbraw/zinc/69/02/48/749690248.db2.gz FOWBKDVTOZGHFW-JKSUJKDBSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004619956 749696497 /nfs/dbraw/zinc/69/64/97/749696497.db2.gz DSMPPCTVIVEQEV-GJZGRUSLSA-N 1 1 339.461 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001004622554 749699814 /nfs/dbraw/zinc/69/98/14/749699814.db2.gz NWBQVVYIZXXCLG-HNNXBMFYSA-N 1 1 344.415 0.436 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2nccnc2C(N)=O)CC1 ZINC001004622587 749700385 /nfs/dbraw/zinc/70/03/85/749700385.db2.gz NZBNPWVMFFAUIU-CQSZACIVSA-N 1 1 341.415 0.525 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004634911 749714480 /nfs/dbraw/zinc/71/44/80/749714480.db2.gz OUEOEYCAURVQEL-CVEARBPZSA-N 1 1 345.443 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnc[nH]c2=O)C1=O ZINC001027958433 749892377 /nfs/dbraw/zinc/89/23/77/749892377.db2.gz ICDBBMASAGIVEN-OCCSQVGLSA-N 1 1 345.403 0.163 20 30 ECEDMO C#CCC[NH+]1CCC2(CC1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@@H](C)O2 ZINC001098633469 749942741 /nfs/dbraw/zinc/94/27/41/749942741.db2.gz IEOKEUDFQHROEF-CQSZACIVSA-N 1 1 346.431 0.845 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000986479522 749950592 /nfs/dbraw/zinc/95/05/92/749950592.db2.gz CYGHWDLMLCSCDO-OWCLPIDISA-N 1 1 349.475 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000986479522 749950593 /nfs/dbraw/zinc/95/05/93/749950593.db2.gz CYGHWDLMLCSCDO-OWCLPIDISA-N 1 1 349.475 0.836 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)nc3C)[C@H]2C)C1=O ZINC001088498190 750001842 /nfs/dbraw/zinc/00/18/42/750001842.db2.gz MHDCBMAQUWXUCA-KBMXLJTQSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)nc3C)[C@H]2C)C1=O ZINC001088498190 750001849 /nfs/dbraw/zinc/00/18/49/750001849.db2.gz MHDCBMAQUWXUCA-KBMXLJTQSA-N 1 1 345.447 0.708 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)n1 ZINC001059726301 750042556 /nfs/dbraw/zinc/04/25/56/750042556.db2.gz VIUYJUCKCDBQSA-APIJFGDWSA-N 1 1 340.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cc[nH]n3)[C@H]2C)C1=O ZINC001088502569 750063181 /nfs/dbraw/zinc/06/31/81/750063181.db2.gz PPOTZNHDIFLYGR-VHDGCEQUSA-N 1 1 331.420 0.318 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc[nH]n3)[C@H]2C)C1=O ZINC001088502569 750063185 /nfs/dbraw/zinc/06/31/85/750063185.db2.gz PPOTZNHDIFLYGR-VHDGCEQUSA-N 1 1 331.420 0.318 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001058846729 750115867 /nfs/dbraw/zinc/11/58/67/750115867.db2.gz DWSGOKBVHXWPFG-HNNXBMFYSA-N 1 1 348.447 0.657 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001030181400 762015556 /nfs/dbraw/zinc/01/55/56/762015556.db2.gz DHQQRAQVSFWLOQ-QGZVFWFLSA-N 1 1 347.846 0.823 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001030181400 762015564 /nfs/dbraw/zinc/01/55/64/762015564.db2.gz DHQQRAQVSFWLOQ-QGZVFWFLSA-N 1 1 347.846 0.823 20 30 ECEDMO CC(C)COCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 ZINC001098634233 750297655 /nfs/dbraw/zinc/29/76/55/750297655.db2.gz QDJIIQUBRKVJPF-ZBFHGGJFSA-N 1 1 348.451 0.973 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)CN3CCCC3)CC2)C1=O ZINC001168162300 750395725 /nfs/dbraw/zinc/39/57/25/750395725.db2.gz IEDWVSHDJOAUMT-MRXNPFEDSA-N 1 1 348.491 0.745 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccon2)C1 ZINC000980973230 750421618 /nfs/dbraw/zinc/42/16/18/750421618.db2.gz QSVAGARHEOWUCL-LZWOXQAQSA-N 1 1 344.415 0.787 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccon2)C1 ZINC000980973230 750421621 /nfs/dbraw/zinc/42/16/21/750421621.db2.gz QSVAGARHEOWUCL-LZWOXQAQSA-N 1 1 344.415 0.787 20 30 ECEDMO CN(CCN(C)c1ncc(C#N)cc1F)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001105354984 750508520 /nfs/dbraw/zinc/50/85/20/750508520.db2.gz ANLZMGGMTJERQZ-AWEZNQCLSA-N 1 1 335.383 0.318 20 30 ECEDMO CN(CCN(C)c1ncc(C#N)cc1F)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001105354984 750508525 /nfs/dbraw/zinc/50/85/25/750508525.db2.gz ANLZMGGMTJERQZ-AWEZNQCLSA-N 1 1 335.383 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC000981296937 750560217 /nfs/dbraw/zinc/56/02/17/750560217.db2.gz QSUMKUJXBQVIQC-ZNMIVQPWSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC000981296937 750560219 /nfs/dbraw/zinc/56/02/19/750560219.db2.gz QSUMKUJXBQVIQC-ZNMIVQPWSA-N 1 1 343.431 0.522 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cn(C)nn3)[C@H]2C)nn1 ZINC000987166663 750560954 /nfs/dbraw/zinc/56/09/54/750560954.db2.gz IBFXHTFQAFTTPO-OCCSQVGLSA-N 1 1 344.423 0.376 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)CC1 ZINC000981309505 750571391 /nfs/dbraw/zinc/57/13/91/750571391.db2.gz QGSXVOJSTXDGEQ-UHFFFAOYSA-N 1 1 327.388 0.845 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)CC1 ZINC000981309505 750571393 /nfs/dbraw/zinc/57/13/93/750571393.db2.gz QGSXVOJSTXDGEQ-UHFFFAOYSA-N 1 1 327.388 0.845 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccnn2C)CC1 ZINC000981361292 750624601 /nfs/dbraw/zinc/62/46/01/750624601.db2.gz CZNZCLPJZBHAFF-KRWDZBQOSA-N 1 1 329.448 0.552 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccnn2C)CC1 ZINC000981361292 750624605 /nfs/dbraw/zinc/62/46/05/750624605.db2.gz CZNZCLPJZBHAFF-KRWDZBQOSA-N 1 1 329.448 0.552 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088550211 750640290 /nfs/dbraw/zinc/64/02/90/750640290.db2.gz RSSBIHSQVWZUBR-UGFHNGPFSA-N 1 1 328.372 0.746 20 30 ECEDMO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001040183162 750666968 /nfs/dbraw/zinc/66/69/68/750666968.db2.gz XJNHARUEPKXSAC-SFHVURJKSA-N 1 1 337.464 0.600 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000981459244 750716376 /nfs/dbraw/zinc/71/63/76/750716376.db2.gz PQCWYMMICDDBHX-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001005938920 750821384 /nfs/dbraw/zinc/82/13/84/750821384.db2.gz NQDSZRQIQJECRZ-OLZOCXBDSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)[C@H]4CCCO4)C3)C2)C1=O ZINC000981606643 750861293 /nfs/dbraw/zinc/86/12/93/750861293.db2.gz MVAVAWYYUXKSGQ-JKSUJKDBSA-N 1 1 347.459 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)CCc3ccon3)CC2)C1=O ZINC000981617571 750874855 /nfs/dbraw/zinc/87/48/55/750874855.db2.gz PNYKRUPVQICYIX-INIZCTEOSA-N 1 1 346.431 0.928 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)CCc3ccon3)CC2)C1=O ZINC000981617571 750874861 /nfs/dbraw/zinc/87/48/61/750874861.db2.gz PNYKRUPVQICYIX-INIZCTEOSA-N 1 1 346.431 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccon2)C1 ZINC000981624987 750897176 /nfs/dbraw/zinc/89/71/76/750897176.db2.gz DXXVJPWBTYXUIB-LZWOXQAQSA-N 1 1 344.415 0.787 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccon2)C1 ZINC000981624987 750897185 /nfs/dbraw/zinc/89/71/85/750897185.db2.gz DXXVJPWBTYXUIB-LZWOXQAQSA-N 1 1 344.415 0.787 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCCn3cncn3)C2)nn1 ZINC001105357446 750899480 /nfs/dbraw/zinc/89/94/80/750899480.db2.gz DLZYSXFKHDUUKS-UHFFFAOYSA-N 1 1 344.423 0.399 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1F ZINC001028109542 750914090 /nfs/dbraw/zinc/91/40/90/750914090.db2.gz KGBASXGADCPXNP-HIFRSBDPSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1F ZINC001028109542 750914092 /nfs/dbraw/zinc/91/40/92/750914092.db2.gz KGBASXGADCPXNP-HIFRSBDPSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)[C@H]4CCOC4)C3)C2)C1=O ZINC000981659242 750940281 /nfs/dbraw/zinc/94/02/81/750940281.db2.gz DBFHJHHGXFOTCM-JKSUJKDBSA-N 1 1 347.459 0.734 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)C1=O ZINC000981761793 751072909 /nfs/dbraw/zinc/07/29/09/751072909.db2.gz RRUDTZUAFJMHGT-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO CN(C(=O)C[N@@H+]1CCCC2(CN(C(=O)C#CC3CC3)C2)C1)C1CC1 ZINC000981758658 751080911 /nfs/dbraw/zinc/08/09/11/751080911.db2.gz YLZROCGPOWHAAI-UHFFFAOYSA-N 1 1 329.444 0.945 20 30 ECEDMO CN(C(=O)C[N@H+]1CCCC2(CN(C(=O)C#CC3CC3)C2)C1)C1CC1 ZINC000981758658 751080916 /nfs/dbraw/zinc/08/09/16/751080916.db2.gz YLZROCGPOWHAAI-UHFFFAOYSA-N 1 1 329.444 0.945 20 30 ECEDMO CCc1cc(NC[C@H](O)CNC(=O)c2c[nH]c(C#N)c2)nc(C)[nH+]1 ZINC001105830954 762095011 /nfs/dbraw/zinc/09/50/11/762095011.db2.gz SDTMSZVYLCDZIB-AWEZNQCLSA-N 1 1 328.376 0.750 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)CN3CCCS3(=O)=O)C2)C1 ZINC000981802536 751119371 /nfs/dbraw/zinc/11/93/71/751119371.db2.gz HMRNFWNIHBCNPN-UHFFFAOYSA-N 1 1 327.450 0.132 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000981819340 751135222 /nfs/dbraw/zinc/13/52/22/751135222.db2.gz XMSQGZFJLNKCEW-NSHDSACASA-N 1 1 340.811 0.261 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000981819340 751135224 /nfs/dbraw/zinc/13/52/24/751135224.db2.gz XMSQGZFJLNKCEW-NSHDSACASA-N 1 1 340.811 0.261 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)cc1 ZINC000981850610 751192471 /nfs/dbraw/zinc/19/24/71/751192471.db2.gz NLGVWQIOQXFGAO-HNNXBMFYSA-N 1 1 327.388 0.274 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)cc1 ZINC000981850610 751192473 /nfs/dbraw/zinc/19/24/73/751192473.db2.gz NLGVWQIOQXFGAO-HNNXBMFYSA-N 1 1 327.388 0.274 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC3OCCCO3)[C@@H](O)C2)cc1 ZINC001083428687 751195282 /nfs/dbraw/zinc/19/52/82/751195282.db2.gz QNPUUDDAQFDVAX-CVEARBPZSA-N 1 1 345.399 0.373 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CC3OCCCO3)[C@@H](O)C2)cc1 ZINC001083428687 751195290 /nfs/dbraw/zinc/19/52/90/751195290.db2.gz QNPUUDDAQFDVAX-CVEARBPZSA-N 1 1 345.399 0.373 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cnco2)C1 ZINC001006313990 751233426 /nfs/dbraw/zinc/23/34/26/751233426.db2.gz JAHBLOQEELEADH-OCCSQVGLSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cnco2)C1 ZINC001006313990 751233430 /nfs/dbraw/zinc/23/34/30/751233430.db2.gz JAHBLOQEELEADH-OCCSQVGLSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cccnc2)C1 ZINC001006321971 751244429 /nfs/dbraw/zinc/24/44/29/751244429.db2.gz SUPVFNIQVFVZCR-PBHICJAKSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cccnc2)C1 ZINC001006321971 751244434 /nfs/dbraw/zinc/24/44/34/751244434.db2.gz SUPVFNIQVFVZCR-PBHICJAKSA-N 1 1 340.427 0.756 20 30 ECEDMO N#CCN1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981902083 751258183 /nfs/dbraw/zinc/25/81/83/751258183.db2.gz ZWWYWWCSDLQQQU-CSLYMUCUSA-N 1 1 330.432 0.298 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1nc(C)ns1 ZINC001111582658 751335252 /nfs/dbraw/zinc/33/52/52/751335252.db2.gz GTQNROYRUSKUKC-ZDUSSCGKSA-N 1 1 337.449 0.177 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1nc(C)ns1 ZINC001111582658 751335258 /nfs/dbraw/zinc/33/52/58/751335258.db2.gz GTQNROYRUSKUKC-ZDUSSCGKSA-N 1 1 337.449 0.177 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3CCC3)[C@@H]2C1 ZINC001020897129 752306863 /nfs/dbraw/zinc/30/68/63/752306863.db2.gz LLVAGSRGFSDNII-YESZJQIVSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3CCC3)[C@@H]2C1 ZINC001020897129 752306869 /nfs/dbraw/zinc/30/68/69/752306869.db2.gz LLVAGSRGFSDNII-YESZJQIVSA-N 1 1 329.444 0.943 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)cc1 ZINC001007344298 752311560 /nfs/dbraw/zinc/31/15/60/752311560.db2.gz OPQRILKGGJKFPY-HNNXBMFYSA-N 1 1 325.376 0.326 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3nnc[nH]3)C2)cc1F ZINC001020904336 752315233 /nfs/dbraw/zinc/31/52/33/752315233.db2.gz USTNYGLKPLMPJR-JOCQHMNTSA-N 1 1 328.351 0.795 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001059909754 752400459 /nfs/dbraw/zinc/40/04/59/752400459.db2.gz CAECZMKDDLTMKA-ZFWWWQNUSA-N 1 1 328.420 0.775 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001007465353 752413869 /nfs/dbraw/zinc/41/38/69/752413869.db2.gz SDXMOTPHALJLGJ-AWEZNQCLSA-N 1 1 329.466 0.569 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001059910731 752427042 /nfs/dbraw/zinc/42/70/42/752427042.db2.gz WMJPWIIWFYHMBX-DZGCQCFKSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnc(C)nc2)C1 ZINC001007518843 752474401 /nfs/dbraw/zinc/47/44/01/752474401.db2.gz FZMWXDLBFPFVDF-MSOLQXFVSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnc(C)nc2)C1 ZINC001007518843 752474408 /nfs/dbraw/zinc/47/44/08/752474408.db2.gz FZMWXDLBFPFVDF-MSOLQXFVSA-N 1 1 341.459 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cccnc3)C2)C1=O ZINC001028376197 752498256 /nfs/dbraw/zinc/49/82/56/752498256.db2.gz ZJOKJRSBZFHBLR-ZBFHGGJFSA-N 1 1 328.416 0.920 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC001126366413 752584062 /nfs/dbraw/zinc/58/40/62/752584062.db2.gz VAPOOLPAAREVCA-KRWDZBQOSA-N 1 1 330.388 0.868 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cnsn3)C2)C1=O ZINC001028426786 752618537 /nfs/dbraw/zinc/61/85/37/752618537.db2.gz OIJHYNAZPZFWFY-YPMHNXCESA-N 1 1 335.433 0.377 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ncoc3C)C2)C1=O ZINC001028431984 752624589 /nfs/dbraw/zinc/62/45/89/752624589.db2.gz WWVYHPUUTGNSAA-ZIAGYGMSSA-N 1 1 332.404 0.822 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CCOCC2)[C@@H]1C ZINC000988737518 752636386 /nfs/dbraw/zinc/63/63/86/752636386.db2.gz AGOSOTJYKWRWMY-PVAVHDDUSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CCOCC2)[C@@H]1C ZINC000988737518 752636392 /nfs/dbraw/zinc/63/63/92/752636392.db2.gz AGOSOTJYKWRWMY-PVAVHDDUSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001075920105 752681161 /nfs/dbraw/zinc/68/11/61/752681161.db2.gz PRSDYNPXJASIFS-LBPRGKRZSA-N 1 1 338.408 0.563 20 30 ECEDMO N#Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)c[nH]1 ZINC001021233930 752685414 /nfs/dbraw/zinc/68/54/14/752685414.db2.gz DLBFTDXMMZJHCY-FBAPMCOASA-N 1 1 327.388 0.500 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001212092958 752714165 /nfs/dbraw/zinc/71/41/65/752714165.db2.gz YSFXBFQOVWDQGG-RBSFLKMASA-N 1 1 339.436 0.063 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001212092958 752714173 /nfs/dbraw/zinc/71/41/73/752714173.db2.gz YSFXBFQOVWDQGG-RBSFLKMASA-N 1 1 339.436 0.063 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(=O)N(C)C)nc1 ZINC001098246747 752723833 /nfs/dbraw/zinc/72/38/33/752723833.db2.gz RGXPKXQMKQSXKK-WNOSKKOXSA-N 1 1 340.427 0.875 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(=O)N(C)C)nc1 ZINC001098246747 752723839 /nfs/dbraw/zinc/72/38/39/752723839.db2.gz RGXPKXQMKQSXKK-WNOSKKOXSA-N 1 1 340.427 0.875 20 30 ECEDMO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467693 752760880 /nfs/dbraw/zinc/76/08/80/752760880.db2.gz FVQKUDFUDQHBAP-RYUDHWBXSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@@H](c1nncn1C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467693 752760884 /nfs/dbraw/zinc/76/08/84/752760884.db2.gz FVQKUDFUDQHBAP-RYUDHWBXSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@H](c1nncn1C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467591 752761508 /nfs/dbraw/zinc/76/15/08/752761508.db2.gz FVQKUDFUDQHBAP-NEPJUHHUSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@H](c1nncn1C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467591 752761511 /nfs/dbraw/zinc/76/15/11/752761511.db2.gz FVQKUDFUDQHBAP-NEPJUHHUSA-N 1 1 327.392 0.828 20 30 ECEDMO CCn1cc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001028468595 752764419 /nfs/dbraw/zinc/76/44/19/752764419.db2.gz ZBTXYUQZGICQPP-GFCCVEGCSA-N 1 1 327.392 0.750 20 30 ECEDMO CCn1cc(C[N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001028468595 752764422 /nfs/dbraw/zinc/76/44/22/752764422.db2.gz ZBTXYUQZGICQPP-GFCCVEGCSA-N 1 1 327.392 0.750 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)c1 ZINC001028468837 752764968 /nfs/dbraw/zinc/76/49/68/752764968.db2.gz FHDZTUOHBUWOTD-GFCCVEGCSA-N 1 1 343.387 0.087 20 30 ECEDMO C[C@H](c1nncn1C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486719 752806479 /nfs/dbraw/zinc/80/64/79/752806479.db2.gz JSIOTGOGJGIQQL-NEPJUHHUSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@H](c1nncn1C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486719 752806484 /nfs/dbraw/zinc/80/64/84/752806484.db2.gz JSIOTGOGJGIQQL-NEPJUHHUSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@@H](c1nncn1C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486720 752807232 /nfs/dbraw/zinc/80/72/32/752807232.db2.gz JSIOTGOGJGIQQL-NWDGAFQWSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@@H](c1nncn1C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486720 752807237 /nfs/dbraw/zinc/80/72/37/752807237.db2.gz JSIOTGOGJGIQQL-NWDGAFQWSA-N 1 1 327.392 0.828 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001007717446 752854869 /nfs/dbraw/zinc/85/48/69/752854869.db2.gz KMGHEEIWIDUMEI-GUYCJALGSA-N 1 1 345.403 0.181 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cncnc3)C2)C1=O ZINC001028497449 752892222 /nfs/dbraw/zinc/89/22/22/752892222.db2.gz XQJVEZKYMVSFPX-ZFWWWQNUSA-N 1 1 329.404 0.315 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000988812175 752914624 /nfs/dbraw/zinc/91/46/24/752914624.db2.gz YMRHKTXYHCHFOQ-LOWVWBTDSA-N 1 1 333.392 0.615 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000991616381 762169451 /nfs/dbraw/zinc/16/94/51/762169451.db2.gz RMULHGQPYCXZGT-UHFFFAOYSA-N 1 1 340.387 0.847 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001211814026 752937955 /nfs/dbraw/zinc/93/79/55/752937955.db2.gz QGJBIIQQRIQBDT-CSMYWGQOSA-N 1 1 344.415 0.398 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001211814026 752937961 /nfs/dbraw/zinc/93/79/61/752937961.db2.gz QGJBIIQQRIQBDT-CSMYWGQOSA-N 1 1 344.415 0.398 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001007802697 752944455 /nfs/dbraw/zinc/94/44/55/752944455.db2.gz ZWIWXSNZQOKCNH-ZDUSSCGKSA-N 1 1 328.372 0.630 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001007802697 752944459 /nfs/dbraw/zinc/94/44/59/752944459.db2.gz ZWIWXSNZQOKCNH-ZDUSSCGKSA-N 1 1 328.372 0.630 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)C1CS(=O)(=O)C1 ZINC000988878857 752987085 /nfs/dbraw/zinc/98/70/85/752987085.db2.gz MKHFEBXGORRQPP-LRDDRELGSA-N 1 1 347.440 0.682 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3nccc(C)n3)C2)C1=O ZINC001028511136 752994496 /nfs/dbraw/zinc/99/44/96/752994496.db2.gz ILKDUVXLAVRVDF-HUUCEWRRSA-N 1 1 343.431 0.624 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001028519312 753016603 /nfs/dbraw/zinc/01/66/03/753016603.db2.gz MSOONPSFZKUZHN-SWLSCSKDSA-N 1 1 346.362 0.744 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028519099 753016613 /nfs/dbraw/zinc/01/66/13/753016613.db2.gz JOVSXPSQHXRFBT-WFASDCNBSA-N 1 1 328.372 0.605 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028519652 753018332 /nfs/dbraw/zinc/01/83/32/753018332.db2.gz QRBUAFSMQIYVAT-IAQYHMDHSA-N 1 1 346.362 0.744 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028519652 753018333 /nfs/dbraw/zinc/01/83/33/753018333.db2.gz QRBUAFSMQIYVAT-IAQYHMDHSA-N 1 1 346.362 0.744 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)cc1 ZINC001028520254 753049076 /nfs/dbraw/zinc/04/90/76/753049076.db2.gz ZIJZYHWQXIMRGS-HUUCEWRRSA-N 1 1 328.372 0.605 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001059941337 753093986 /nfs/dbraw/zinc/09/39/86/753093986.db2.gz KNVADEXSXPWKQC-HOTGVXAUSA-N 1 1 346.431 0.585 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C[C@@]2(C)C1 ZINC000982639989 753193286 /nfs/dbraw/zinc/19/32/86/753193286.db2.gz DFFVEAKOCRMIJY-BMFZPTHFSA-N 1 1 341.477 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000989066197 753203236 /nfs/dbraw/zinc/20/32/36/753203236.db2.gz BSLPUWNPOSEKNI-BBWFWOEESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000989066197 753203241 /nfs/dbraw/zinc/20/32/41/753203241.db2.gz BSLPUWNPOSEKNI-BBWFWOEESA-N 1 1 347.459 0.760 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@@]2(C)C1 ZINC000982647249 753207271 /nfs/dbraw/zinc/20/72/71/753207271.db2.gz WWJBOXBUDXESPG-HDICACEKSA-N 1 1 346.431 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)[C@@H]2CCCO2)C(C)(C)C1 ZINC001008055720 753246796 /nfs/dbraw/zinc/24/67/96/753246796.db2.gz BSBBRHZXNJQCLG-JYJNAYRXSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)[C@@H]2CCCO2)C(C)(C)C1 ZINC001008055720 753246799 /nfs/dbraw/zinc/24/67/99/753246799.db2.gz BSBBRHZXNJQCLG-JYJNAYRXSA-N 1 1 347.459 0.616 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC001008058205 753251394 /nfs/dbraw/zinc/25/13/94/753251394.db2.gz KCQDNYZXTBWWHW-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000982668903 753251923 /nfs/dbraw/zinc/25/19/23/753251923.db2.gz RHQHVFBCHVWQRT-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001051493809 762202649 /nfs/dbraw/zinc/20/26/49/762202649.db2.gz AHTKINJHEMCYAK-DOMZBBRYSA-N 1 1 332.408 0.165 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001008121299 753337881 /nfs/dbraw/zinc/33/78/81/753337881.db2.gz NQPIIKREROVVLR-CQSZACIVSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ncc[nH]2)C(C)(C)C1 ZINC001008132233 753355731 /nfs/dbraw/zinc/35/57/31/753355731.db2.gz ODYTWCYNCCELBL-UONOGXRCSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ncc[nH]2)C(C)(C)C1 ZINC001008132233 753355737 /nfs/dbraw/zinc/35/57/37/753355737.db2.gz ODYTWCYNCCELBL-UONOGXRCSA-N 1 1 343.431 0.474 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001008191566 753449507 /nfs/dbraw/zinc/44/95/07/753449507.db2.gz UYQVGHJUFWUPTO-STQMWFEESA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001008191566 753449512 /nfs/dbraw/zinc/44/95/12/753449512.db2.gz UYQVGHJUFWUPTO-STQMWFEESA-N 1 1 347.419 0.107 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C(=O)NC)nc3)C[C@@]2(C)C1 ZINC000982741796 753472214 /nfs/dbraw/zinc/47/22/14/753472214.db2.gz VVEKIRMKWHYSEB-KDURUIRLSA-N 1 1 340.427 0.858 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001059039683 753534375 /nfs/dbraw/zinc/53/43/75/753534375.db2.gz RVGFQTNUJDUJCK-DOTOQJQBSA-N 1 1 343.431 0.497 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001059039683 753534379 /nfs/dbraw/zinc/53/43/79/753534379.db2.gz RVGFQTNUJDUJCK-DOTOQJQBSA-N 1 1 343.431 0.497 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000982780383 753547357 /nfs/dbraw/zinc/54/73/57/753547357.db2.gz CXDGKOVJKJVXOL-STQMWFEESA-N 1 1 329.404 0.416 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cncnc3CC)C2)nn1 ZINC001105372538 753672399 /nfs/dbraw/zinc/67/23/99/753672399.db2.gz MCXOWOIHSQSVKH-UHFFFAOYSA-N 1 1 327.392 0.603 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@]2(C)C1 ZINC000982799878 753769025 /nfs/dbraw/zinc/76/90/25/753769025.db2.gz ZJOZRWOZTQDMPH-HDICACEKSA-N 1 1 344.415 0.293 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N3CCOCC3)C[C@@]2(C)C1 ZINC000982822367 753861060 /nfs/dbraw/zinc/86/10/60/753861060.db2.gz ZPQLXQXLYKYWKA-RLLQIKCJSA-N 1 1 345.487 0.901 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)c2cncc(C#N)n2)CC[N@H+]1C ZINC001105581871 753862254 /nfs/dbraw/zinc/86/22/54/753862254.db2.gz DXIDCYRDRATRSL-LSDHHAIUSA-N 1 1 330.436 0.973 20 30 ECEDMO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583371 753865917 /nfs/dbraw/zinc/86/59/17/753865917.db2.gz VUPSXRWYSYTPBT-LSDHHAIUSA-N 1 1 344.419 0.106 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2nn(C)c3ccccc23)[C@@H](O)C1 ZINC001083463468 753876293 /nfs/dbraw/zinc/87/62/93/753876293.db2.gz KKCFZIYHRKOXSR-WBVHZDCISA-N 1 1 328.416 0.853 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001028601043 753876713 /nfs/dbraw/zinc/87/67/13/753876713.db2.gz HUSWZARYISJZRU-AEFFLSMTSA-N 1 1 341.459 0.821 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001028603602 753896012 /nfs/dbraw/zinc/89/60/12/753896012.db2.gz DXLSXSNQZGFINY-WMZOPIPTSA-N 1 1 341.459 0.821 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCCNC3=O)CC2)nc1 ZINC000989507305 754049259 /nfs/dbraw/zinc/04/92/59/754049259.db2.gz MXJLMNHKQGKBHK-INIZCTEOSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCCNC3=O)CC2)nc1 ZINC000989507305 754049263 /nfs/dbraw/zinc/04/92/63/754049263.db2.gz MXJLMNHKQGKBHK-INIZCTEOSA-N 1 1 326.400 0.489 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nncn3C)C[C@@H]2C)nn1 ZINC000989544078 754092979 /nfs/dbraw/zinc/09/29/79/754092979.db2.gz OUVFBVGIKXDULM-QWHCGFSZSA-N 1 1 344.423 0.376 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CC3(CO2)CCN(C(=O)[C@@H](C)C#N)CC3)[nH]1 ZINC000982888566 754098758 /nfs/dbraw/zinc/09/87/58/754098758.db2.gz DCHAODXTVHMOOR-JSGCOSHPSA-N 1 1 346.435 0.760 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3cnn(C)n3)C2)CC1 ZINC000982892861 754104312 /nfs/dbraw/zinc/10/43/12/754104312.db2.gz ZFDYLGJWMXZLMX-UKRRQHHQSA-N 1 1 346.435 0.462 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C2)c[nH]1 ZINC000982892959 754104539 /nfs/dbraw/zinc/10/45/39/754104539.db2.gz IHLWQZNEADOLOX-LBPRGKRZSA-N 1 1 340.387 0.821 20 30 ECEDMO CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000982904095 754139206 /nfs/dbraw/zinc/13/92/06/754139206.db2.gz DBADAFJHSRQVDE-BRWVUGGUSA-N 1 1 347.459 0.474 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028639976 754141899 /nfs/dbraw/zinc/14/18/99/754141899.db2.gz HQNNRCILVBULEY-NWDGAFQWSA-N 1 1 339.827 0.737 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028639976 754141902 /nfs/dbraw/zinc/14/19/02/754141902.db2.gz HQNNRCILVBULEY-NWDGAFQWSA-N 1 1 339.827 0.737 20 30 ECEDMO CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)nn1 ZINC001051523685 762274454 /nfs/dbraw/zinc/27/44/54/762274454.db2.gz IYGOCSGLUGFHDB-CQSZACIVSA-N 1 1 343.391 0.129 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001008847109 754197677 /nfs/dbraw/zinc/19/76/77/754197677.db2.gz RCOGFDWZKONKTK-UIORMTCPSA-N 1 1 334.420 0.521 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001028661543 754396894 /nfs/dbraw/zinc/39/68/94/754396894.db2.gz LSHCWHZFDMPGDA-GFCCVEGCSA-N 1 1 328.372 0.488 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccnnc3C)C2)C1=O ZINC001028663932 754432484 /nfs/dbraw/zinc/43/24/84/754432484.db2.gz ZNSQLJHEXVYIOV-GDBMZVCRSA-N 1 1 343.431 0.624 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccnnc3C)C2)C1=O ZINC001028663934 754432608 /nfs/dbraw/zinc/43/26/08/754432608.db2.gz ZNSQLJHEXVYIOV-HOCLYGCPSA-N 1 1 343.431 0.624 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000983052700 754513462 /nfs/dbraw/zinc/51/34/62/754513462.db2.gz VYPTVAUTOLTDSP-HZPDHXFCSA-N 1 1 340.427 0.593 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001028671714 754540994 /nfs/dbraw/zinc/54/09/94/754540994.db2.gz PCDBVTAPIQCJFB-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000983089869 754599660 /nfs/dbraw/zinc/59/96/60/754599660.db2.gz BWNMZYJNZSHJCH-OAHLLOKOSA-N 1 1 331.420 0.486 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 ZINC001105872927 762317788 /nfs/dbraw/zinc/31/77/88/762317788.db2.gz FVZCOXAKPDBJPN-HUUCEWRRSA-N 1 1 346.435 0.420 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001105873005 762318815 /nfs/dbraw/zinc/31/88/15/762318815.db2.gz HMBIBAVTEDQGKC-HOTGVXAUSA-N 1 1 331.420 0.717 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3nccnc3C#N)C2)C1 ZINC001060006854 754681353 /nfs/dbraw/zinc/68/13/53/754681353.db2.gz GRXKYUBEKCCUNQ-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3nccnc3C#N)C2)C1 ZINC001060006854 754681354 /nfs/dbraw/zinc/68/13/54/754681354.db2.gz GRXKYUBEKCCUNQ-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001028710296 754788845 /nfs/dbraw/zinc/78/88/45/754788845.db2.gz TYJYLMDAQYMJAB-KSZLIROESA-N 1 1 349.475 0.328 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001028712021 754793741 /nfs/dbraw/zinc/79/37/41/754793741.db2.gz JIWGJAKXQRVNOW-KGLIPLIRSA-N 1 1 329.391 0.414 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990249608 754876521 /nfs/dbraw/zinc/87/65/21/754876521.db2.gz FSLIBJNTSCXYBH-YLVFBTJISA-N 1 1 329.404 0.748 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCOC(C)C)C1 ZINC001111607643 762342523 /nfs/dbraw/zinc/34/25/23/762342523.db2.gz VGJVFPHSZAHDLJ-GJYPPUQNSA-N 1 1 349.475 0.910 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)C1=O ZINC000990286416 754922534 /nfs/dbraw/zinc/92/25/34/754922534.db2.gz CVBWGHSFFOSGEU-RLFYNMQTSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H]2CCNC2=O)CC3)c[nH]1 ZINC000990288330 754925616 /nfs/dbraw/zinc/92/56/16/754925616.db2.gz KWDKTIXRPXQPIA-ZQIUZPCESA-N 1 1 327.388 0.502 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=O)NC2CC2)CC3)c[nH]1 ZINC000990288008 754925696 /nfs/dbraw/zinc/92/56/96/754925696.db2.gz JPCPQNDNLPSREI-MAUKXSAKSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)NC2CC2)CC3)c[nH]1 ZINC000990288008 754925702 /nfs/dbraw/zinc/92/57/02/754925702.db2.gz JPCPQNDNLPSREI-MAUKXSAKSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(=O)NC2CC2)CC3)c[nH]1 ZINC000990288010 754925782 /nfs/dbraw/zinc/92/57/82/754925782.db2.gz JPCPQNDNLPSREI-YJBOKZPZSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)NC2CC2)CC3)c[nH]1 ZINC000990288010 754925784 /nfs/dbraw/zinc/92/57/84/754925784.db2.gz JPCPQNDNLPSREI-YJBOKZPZSA-N 1 1 341.415 0.892 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001028740691 754944996 /nfs/dbraw/zinc/94/49/96/754944996.db2.gz RVIOAYRMUOATHA-SMDDNHRTSA-N 1 1 347.444 0.581 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1)C1CC1 ZINC001075697979 754993216 /nfs/dbraw/zinc/99/32/16/754993216.db2.gz OCQDJIRDVZJQJZ-BLLLJJGKSA-N 1 1 341.415 0.653 20 30 ECEDMO CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1)C1CC1 ZINC001075697979 754993220 /nfs/dbraw/zinc/99/32/20/754993220.db2.gz OCQDJIRDVZJQJZ-BLLLJJGKSA-N 1 1 341.415 0.653 20 30 ECEDMO N#Cc1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3cscn3)C2)c[nH]1 ZINC001051563676 762347128 /nfs/dbraw/zinc/34/71/28/762347128.db2.gz SZEKPSRXRPYCOI-CQSZACIVSA-N 1 1 331.401 0.974 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000983269740 755030552 /nfs/dbraw/zinc/03/05/52/755030552.db2.gz USXDFXVVARYPBG-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 ZINC001028773614 755060954 /nfs/dbraw/zinc/06/09/54/755060954.db2.gz NFEHLGAWHQYKCU-DOMZBBRYSA-N 1 1 345.378 0.317 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028807843 755194461 /nfs/dbraw/zinc/19/44/61/755194461.db2.gz UOHPAYOVQSDWBB-AXFHLTTASA-N 1 1 330.226 0.455 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028807843 755194465 /nfs/dbraw/zinc/19/44/65/755194465.db2.gz UOHPAYOVQSDWBB-AXFHLTTASA-N 1 1 330.226 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCCN1C(=O)COC ZINC000990463423 755229444 /nfs/dbraw/zinc/22/94/44/755229444.db2.gz QYBWKGCSFGVQEM-HOTGVXAUSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCCN1C(=O)COC ZINC000990463423 755229447 /nfs/dbraw/zinc/22/94/47/755229447.db2.gz QYBWKGCSFGVQEM-HOTGVXAUSA-N 1 1 335.448 0.570 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083470481 755284555 /nfs/dbraw/zinc/28/45/55/755284555.db2.gz VIARAZCURIDSGB-MKXGPGLRSA-N 1 1 342.439 0.991 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083470481 755284559 /nfs/dbraw/zinc/28/45/59/755284559.db2.gz VIARAZCURIDSGB-MKXGPGLRSA-N 1 1 342.439 0.991 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001028899492 755430588 /nfs/dbraw/zinc/43/05/88/755430588.db2.gz KWHUUHOWFSQXAW-GJZGRUSLSA-N 1 1 331.420 0.390 20 30 ECEDMO C=C[C@H](C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1)c1ccccc1 ZINC000990620538 755507147 /nfs/dbraw/zinc/50/71/47/755507147.db2.gz BTMXRYUUMMRRKW-DLBZAZTESA-N 1 1 343.427 0.614 20 30 ECEDMO C=C[C@H](C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)c1ccccc1 ZINC000990620538 755507151 /nfs/dbraw/zinc/50/71/51/755507151.db2.gz BTMXRYUUMMRRKW-DLBZAZTESA-N 1 1 343.427 0.614 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001040267782 755515708 /nfs/dbraw/zinc/51/57/08/755515708.db2.gz UDOJXHFJYGPGSU-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001040267782 755515712 /nfs/dbraw/zinc/51/57/12/755515712.db2.gz UDOJXHFJYGPGSU-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)CC)[C@@H](O)C1 ZINC001083484621 755645193 /nfs/dbraw/zinc/64/51/93/755645193.db2.gz QYWYGMDZMXRJCV-OAGGEKHMSA-N 1 1 337.464 0.905 20 30 ECEDMO C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC2(CCN(CC#N)CC2)O1 ZINC001098656169 755667706 /nfs/dbraw/zinc/66/77/06/755667706.db2.gz QATPPHWRNAUUBF-JKSUJKDBSA-N 1 1 334.464 0.934 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)nn2C)[C@@H](O)C1 ZINC001083489657 755677685 /nfs/dbraw/zinc/67/76/85/755677685.db2.gz QRYDPHXJTIFUJA-KOLCDFICSA-N 1 1 332.326 0.790 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)nn2C)[C@@H](O)C1 ZINC001083489657 755677687 /nfs/dbraw/zinc/67/76/87/755677687.db2.gz QRYDPHXJTIFUJA-KOLCDFICSA-N 1 1 332.326 0.790 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2COc3ccccc3O2)[C@@H](O)C1 ZINC001083494085 755696339 /nfs/dbraw/zinc/69/63/39/755696339.db2.gz JABCOERCYKFMBE-ZNMIVQPWSA-N 1 1 330.384 0.401 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 ZINC000990761574 755844189 /nfs/dbraw/zinc/84/41/89/755844189.db2.gz JDTWDOIBELXTIF-MLGOLLRUSA-N 1 1 332.408 0.066 20 30 ECEDMO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)o1 ZINC001083520669 755876469 /nfs/dbraw/zinc/87/64/69/755876469.db2.gz UOZICRSKFNECSP-SJORKVTESA-N 1 1 340.383 0.759 20 30 ECEDMO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)o1 ZINC001083520669 755876474 /nfs/dbraw/zinc/87/64/74/755876474.db2.gz UOZICRSKFNECSP-SJORKVTESA-N 1 1 340.383 0.759 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083526152 755920116 /nfs/dbraw/zinc/92/01/16/755920116.db2.gz DOPOGCKXEIRNQW-UXLLHSPISA-N 1 1 333.432 0.876 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001010293613 755953625 /nfs/dbraw/zinc/95/36/25/755953625.db2.gz NZDYJCHDTQTEET-UKRRQHHQSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001010293613 755953629 /nfs/dbraw/zinc/95/36/29/755953629.db2.gz NZDYJCHDTQTEET-UKRRQHHQSA-N 1 1 331.420 0.563 20 30 ECEDMO Cc1nc(CC(=O)NCC[NH2+]Cc2ccc(OCC#N)cc2)n[nH]1 ZINC001126912092 755965451 /nfs/dbraw/zinc/96/54/51/755965451.db2.gz CLHRKIQPSFDOMT-UHFFFAOYSA-N 1 1 328.376 0.464 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1O ZINC001083535902 755976391 /nfs/dbraw/zinc/97/63/91/755976391.db2.gz SPDNACGCCLGNGM-SQNIBIBYSA-N 1 1 333.476 0.826 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076028539 756015727 /nfs/dbraw/zinc/01/57/27/756015727.db2.gz GBFYFEVRLYIKJD-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076028539 756015730 /nfs/dbraw/zinc/01/57/30/756015730.db2.gz GBFYFEVRLYIKJD-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@@H](O)C1 ZINC001083539742 756030296 /nfs/dbraw/zinc/03/02/96/756030296.db2.gz PKIKDSLFUAOMRF-LUYZLQTOSA-N 1 1 334.420 0.328 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@@H](O)C1 ZINC001083539742 756030302 /nfs/dbraw/zinc/03/03/02/756030302.db2.gz PKIKDSLFUAOMRF-LUYZLQTOSA-N 1 1 334.420 0.328 20 30 ECEDMO CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070306 756055218 /nfs/dbraw/zinc/05/52/18/756055218.db2.gz DEVWOKHMNWHDHW-FNYPPERVSA-N 1 1 329.444 0.406 20 30 ECEDMO CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070306 756055225 /nfs/dbraw/zinc/05/52/25/756055225.db2.gz DEVWOKHMNWHDHW-FNYPPERVSA-N 1 1 329.444 0.406 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[C@@H]1CCOC1 ZINC001076105913 756091266 /nfs/dbraw/zinc/09/12/66/756091266.db2.gz RYWXUJPYDTZXMF-BBWFWOEESA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[C@@H]1CCOC1 ZINC001076105913 756091270 /nfs/dbraw/zinc/09/12/70/756091270.db2.gz RYWXUJPYDTZXMF-BBWFWOEESA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncccc3C)C2)C1=O ZINC001010486825 756176179 /nfs/dbraw/zinc/17/61/79/756176179.db2.gz CTESIJHMDHAHMV-LSDHHAIUSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncccc3C)C2)C1=O ZINC001010486825 756176183 /nfs/dbraw/zinc/17/61/83/756176183.db2.gz CTESIJHMDHAHMV-LSDHHAIUSA-N 1 1 328.416 0.981 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001076216800 756229409 /nfs/dbraw/zinc/22/94/09/756229409.db2.gz PGLJUDXLFYENKN-UGSOOPFHSA-N 1 1 343.431 0.997 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)c1 ZINC001076223014 756234151 /nfs/dbraw/zinc/23/41/51/756234151.db2.gz DGBQDHQUPDOIGO-BHYGNILZSA-N 1 1 338.411 0.488 20 30 ECEDMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083544010 756234458 /nfs/dbraw/zinc/23/44/58/756234458.db2.gz BWGIJQQKFSUQNH-CVEARBPZSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083544010 756234462 /nfs/dbraw/zinc/23/44/62/756234462.db2.gz BWGIJQQKFSUQNH-CVEARBPZSA-N 1 1 339.399 0.575 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)c1 ZINC001076223215 756234693 /nfs/dbraw/zinc/23/46/93/756234693.db2.gz OCOCELDPNKAVOL-JLJPHGGASA-N 1 1 340.427 0.686 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)c1 ZINC001076223215 756234698 /nfs/dbraw/zinc/23/46/98/756234698.db2.gz OCOCELDPNKAVOL-JLJPHGGASA-N 1 1 340.427 0.686 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nnc4c3CCCC4)[C@@H]2C1 ZINC001076253387 756291337 /nfs/dbraw/zinc/29/13/37/756291337.db2.gz IKXLFADJDZMYEE-WMLDXEAASA-N 1 1 327.432 0.713 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C2)[nH]1 ZINC001010659853 756362305 /nfs/dbraw/zinc/36/23/05/756362305.db2.gz XJHLENVISGOIPB-BBRMVZONSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C4CCC4)C3=O)C2)[nH]1 ZINC001010659853 756362310 /nfs/dbraw/zinc/36/23/10/756362310.db2.gz XJHLENVISGOIPB-BBRMVZONSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)ccc1F ZINC001010666402 756370375 /nfs/dbraw/zinc/37/03/75/756370375.db2.gz CTVFQEVMWKLENT-ZDUSSCGKSA-N 1 1 344.350 0.385 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)ccc1F ZINC001010666402 756370378 /nfs/dbraw/zinc/37/03/78/756370378.db2.gz CTVFQEVMWKLENT-ZDUSSCGKSA-N 1 1 344.350 0.385 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 ZINC001076350565 756403072 /nfs/dbraw/zinc/40/30/72/756403072.db2.gz DGNXBJQUWRILOM-IRSUPMPHSA-N 1 1 332.404 0.083 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001076356895 756411284 /nfs/dbraw/zinc/41/12/84/756411284.db2.gz FGHRKVFUBYYYEJ-CMPLNLGQSA-N 1 1 325.796 0.324 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001076356895 756411286 /nfs/dbraw/zinc/41/12/86/756411286.db2.gz FGHRKVFUBYYYEJ-CMPLNLGQSA-N 1 1 325.796 0.324 20 30 ECEDMO CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010698705 756414302 /nfs/dbraw/zinc/41/43/02/756414302.db2.gz QNJBJKQRRHLEKB-HIFRSBDPSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010698705 756414307 /nfs/dbraw/zinc/41/43/07/756414307.db2.gz QNJBJKQRRHLEKB-HIFRSBDPSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)N1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010698704 756414439 /nfs/dbraw/zinc/41/44/39/756414439.db2.gz QNJBJKQRRHLEKB-DZGCQCFKSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010698704 756414445 /nfs/dbraw/zinc/41/44/45/756414445.db2.gz QNJBJKQRRHLEKB-DZGCQCFKSA-N 1 1 329.404 0.700 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H](C)C#N)C2 ZINC001010735912 756462730 /nfs/dbraw/zinc/46/27/30/756462730.db2.gz KKMSNSVWRIDOPK-ZDUSSCGKSA-N 1 1 329.404 0.802 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4nocc4C)[C@@H]3C2)C1=O ZINC001076435695 756510841 /nfs/dbraw/zinc/51/08/41/756510841.db2.gz CDYKAOLBIROJHA-SOUVJXGZSA-N 1 1 344.415 0.916 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076438980 756515490 /nfs/dbraw/zinc/51/54/90/756515490.db2.gz XPAPBSRBRTYEOQ-HRCADAONSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076438980 756515494 /nfs/dbraw/zinc/51/54/94/756515494.db2.gz XPAPBSRBRTYEOQ-HRCADAONSA-N 1 1 338.473 0.757 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)cn1 ZINC001076476904 756564007 /nfs/dbraw/zinc/56/40/07/756564007.db2.gz HLGFGWTWDCYYKX-BHYGNILZSA-N 1 1 338.411 0.488 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 ZINC001076518901 756598116 /nfs/dbraw/zinc/59/81/16/756598116.db2.gz CVGQOABCHLEXOU-LSDHHAIUSA-N 1 1 333.436 0.389 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cncn4)[C@@H]3C2)cc1 ZINC001076541623 756624637 /nfs/dbraw/zinc/62/46/37/756624637.db2.gz KEEZCPJJVBGSRA-DLBZAZTESA-N 1 1 336.399 0.883 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCC)n3)[C@@H]2C1 ZINC001076556746 756652451 /nfs/dbraw/zinc/65/24/51/756652451.db2.gz ZYXHOIANGKPVAN-GOEBONIOSA-N 1 1 328.416 0.823 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001076589720 756696460 /nfs/dbraw/zinc/69/64/60/756696460.db2.gz MMJJREUIXHQIIE-KBPBESRZSA-N 1 1 348.451 0.431 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990898266 756758010 /nfs/dbraw/zinc/75/80/10/756758010.db2.gz CRFIRMGPRQCGNF-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990898440 756771544 /nfs/dbraw/zinc/77/15/44/756771544.db2.gz KUOMRTRMTFEPGG-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)cn2)C1 ZINC001060128866 756808509 /nfs/dbraw/zinc/80/85/09/756808509.db2.gz AAENYSZBFCZWOS-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)cn2)C1 ZINC001060128866 756808513 /nfs/dbraw/zinc/80/85/13/756808513.db2.gz AAENYSZBFCZWOS-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)cn2)C1 ZINC001060128867 756808825 /nfs/dbraw/zinc/80/88/25/756808825.db2.gz AAENYSZBFCZWOS-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)cn2)C1 ZINC001060128867 756808831 /nfs/dbraw/zinc/80/88/31/756808831.db2.gz AAENYSZBFCZWOS-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC001011061830 756856664 /nfs/dbraw/zinc/85/66/64/756856664.db2.gz QQFIBLGLBXSXLF-IRXDYDNUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC001011061830 756856671 /nfs/dbraw/zinc/85/66/71/756856671.db2.gz QQFIBLGLBXSXLF-IRXDYDNUSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001076711797 756901841 /nfs/dbraw/zinc/90/18/41/756901841.db2.gz NRLLFFMJNFTDJR-ZFWWWQNUSA-N 1 1 348.451 0.573 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)c[nH]1 ZINC000990935793 756914547 /nfs/dbraw/zinc/91/45/47/756914547.db2.gz PIBNREBPAUKLQE-XJKSGUPXSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)[nH]1 ZINC001048771461 756944290 /nfs/dbraw/zinc/94/42/90/756944290.db2.gz LVXMJNQLZCJMDJ-TYNCELHUSA-N 1 1 327.388 0.169 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C4=CCOCC4)C[C@H]3C2)C1=O ZINC001048783033 756979010 /nfs/dbraw/zinc/97/90/10/756979010.db2.gz UJBRANSUYMDFCV-IXDOHACOSA-N 1 1 345.443 0.510 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)cc1 ZINC001048821865 757107294 /nfs/dbraw/zinc/10/72/94/757107294.db2.gz GPFVVFXBBSZMGD-IYBDPMFKSA-N 1 1 337.387 0.135 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048827072 757123133 /nfs/dbraw/zinc/12/31/33/757123133.db2.gz VJJHTHFTCNKRRI-ALYAQQCSSA-N 1 1 347.459 0.636 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn(CC)n3)C2)nn1 ZINC001098666932 757161216 /nfs/dbraw/zinc/16/12/16/757161216.db2.gz LGLFTQUSOBHFOT-CQSZACIVSA-N 1 1 344.423 0.642 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)C[C@H]2C1 ZINC001048847439 757166764 /nfs/dbraw/zinc/16/67/64/757166764.db2.gz DXLHKJVWYNTPCC-ZACQAIPSSA-N 1 1 331.460 0.904 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011200731 757178322 /nfs/dbraw/zinc/17/83/22/757178322.db2.gz ZXWMVAINGKQBBN-BQFCYCMXSA-N 1 1 349.475 0.980 20 30 ECEDMO COCCC[NH+]1CC(n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC001107160829 757185497 /nfs/dbraw/zinc/18/54/97/757185497.db2.gz LPVJEPZDIJZLPF-UHFFFAOYSA-N 1 1 343.391 0.301 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C[C@H]2C1 ZINC001048854495 757190598 /nfs/dbraw/zinc/19/05/98/757190598.db2.gz BOOCOCMZRKKSDR-SOUVJXGZSA-N 1 1 344.463 0.945 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001011217072 757205355 /nfs/dbraw/zinc/20/53/55/757205355.db2.gz BHQJFEXJVBCMBO-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001011217072 757205360 /nfs/dbraw/zinc/20/53/60/757205360.db2.gz BHQJFEXJVBCMBO-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCCC(C)=O)C[C@]2(C)C1 ZINC001101125352 757243317 /nfs/dbraw/zinc/24/33/17/757243317.db2.gz UUTPSUJBCMQVDN-QAPCUYQASA-N 1 1 333.432 0.275 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC(C)=O)C[C@]2(C)C1 ZINC001101125352 757243325 /nfs/dbraw/zinc/24/33/25/757243325.db2.gz UUTPSUJBCMQVDN-QAPCUYQASA-N 1 1 333.432 0.275 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048879807 757277835 /nfs/dbraw/zinc/27/78/35/757277835.db2.gz XJUSCBAJCJEOCV-MELADBBJSA-N 1 1 325.840 0.998 20 30 ECEDMO C#CCC1(C(=O)NCc2cn(C3C[NH+](CCC)C3)nn2)CCOCC1 ZINC001107178411 757334803 /nfs/dbraw/zinc/33/48/03/757334803.db2.gz WLTURVRJHQMNQO-UHFFFAOYSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cnc4ccc(OC)nn43)C[C@H]2C1 ZINC001048898447 757336017 /nfs/dbraw/zinc/33/60/17/757336017.db2.gz BNXCNJUCGFTQRH-OKILXGFUSA-N 1 1 339.399 0.765 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3sccc3-n3cnnn3)C[C@H]2C1 ZINC001048917272 757405137 /nfs/dbraw/zinc/40/51/37/757405137.db2.gz BYJIJIHVANHSFP-TXEJJXNPSA-N 1 1 328.401 0.361 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2conc2C)CC1 ZINC001011314843 757491713 /nfs/dbraw/zinc/49/17/13/757491713.db2.gz NZUQDWXHHISWTP-HNNXBMFYSA-N 1 1 330.388 0.365 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2conc2C)CC1 ZINC001011314843 757491718 /nfs/dbraw/zinc/49/17/18/757491718.db2.gz NZUQDWXHHISWTP-HNNXBMFYSA-N 1 1 330.388 0.365 20 30 ECEDMO COCCc1noc(C[NH2+]C2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC000996382838 757505964 /nfs/dbraw/zinc/50/59/64/757505964.db2.gz BQDWAHHGLXJKTP-UHFFFAOYSA-N 1 1 332.404 0.753 20 30 ECEDMO Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076896936 757512891 /nfs/dbraw/zinc/51/28/91/757512891.db2.gz BHNLQOALGFMSFV-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076896936 757512899 /nfs/dbraw/zinc/51/28/99/757512899.db2.gz BHNLQOALGFMSFV-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@H]2C1 ZINC001048958100 757512940 /nfs/dbraw/zinc/51/29/40/757512940.db2.gz PNGXAEZCBRTBIR-OKILXGFUSA-N 1 1 337.387 0.084 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@H]2C1 ZINC001048959154 757518287 /nfs/dbraw/zinc/51/82/87/757518287.db2.gz DLIHIVCYMSNQNE-HZSPNIEDSA-N 1 1 329.391 0.529 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4csnn4)C[C@H]3C2)C1=O ZINC001048964784 757536081 /nfs/dbraw/zinc/53/60/81/757536081.db2.gz NDOCFQDECLGCCZ-SCRDCRAPSA-N 1 1 347.444 0.329 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@H]2C1 ZINC001048965719 757539701 /nfs/dbraw/zinc/53/97/01/757539701.db2.gz VSFNFYXOOHNXOP-OAGGEKHMSA-N 1 1 342.443 0.951 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cncn4)nc3)C[C@H]2C1 ZINC001048971271 757554600 /nfs/dbraw/zinc/55/46/00/757554600.db2.gz ILYZZKAZMPNPKW-IYBDPMFKSA-N 1 1 336.399 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2coc(CCC)n2)C1 ZINC000996408286 757570045 /nfs/dbraw/zinc/57/00/45/757570045.db2.gz MQZDJPWPKMEHOA-HNNXBMFYSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2coc(CCC)n2)C1 ZINC000996408286 757570052 /nfs/dbraw/zinc/57/00/52/757570052.db2.gz MQZDJPWPKMEHOA-HNNXBMFYSA-N 1 1 344.415 0.665 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048976493 757576094 /nfs/dbraw/zinc/57/60/94/757576094.db2.gz NCCAFUCWGUZSCA-OKILXGFUSA-N 1 1 348.447 0.531 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4cnn(C)c4C3)C[C@H]2C1 ZINC001049006438 757671891 /nfs/dbraw/zinc/67/18/91/757671891.db2.gz ABARAUMCRFTBGH-BHYGNILZSA-N 1 1 326.444 0.939 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@H]2C1 ZINC001049007551 757676969 /nfs/dbraw/zinc/67/69/69/757676969.db2.gz YJCVAAGIMZGGCT-SOUVJXGZSA-N 1 1 329.448 0.886 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001021611404 757683515 /nfs/dbraw/zinc/68/35/15/757683515.db2.gz PMMFYYRTGSUBFD-HUUCEWRRSA-N 1 1 338.415 0.992 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021619309 757692302 /nfs/dbraw/zinc/69/23/02/757692302.db2.gz KHBQHMHNGQLQKU-HOTGVXAUSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)C[N@@H+]3CC[C@H](C)C3)nn2)C1 ZINC001107210699 757692859 /nfs/dbraw/zinc/69/28/59/757692859.db2.gz DFTASPLZBZAFRW-AWEZNQCLSA-N 1 1 330.436 0.116 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ccc(C#N)nc2)C1 ZINC001107211154 757699455 /nfs/dbraw/zinc/69/94/55/757699455.db2.gz SPWIDGSSQRVYRK-CWDCEQMOSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ccc(C#N)nc2)C1 ZINC001107211154 757699462 /nfs/dbraw/zinc/69/94/62/757699462.db2.gz SPWIDGSSQRVYRK-CWDCEQMOSA-N 1 1 329.404 0.758 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)c1 ZINC001049019077 757709449 /nfs/dbraw/zinc/70/94/49/757709449.db2.gz PNDFSKNRISRGFQ-OWCLPIDISA-N 1 1 339.399 0.130 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001021652376 757741127 /nfs/dbraw/zinc/74/11/27/757741127.db2.gz JMHHRTHSFMKXHE-IRXDYDNUSA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)[C@@H]3CCC(=O)N3)nn2)C1 ZINC001107212104 757744174 /nfs/dbraw/zinc/74/41/74/757744174.db2.gz OFHZSAQCWMRNOS-DOMZBBRYSA-N 1 1 346.435 0.242 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021663141 757757286 /nfs/dbraw/zinc/75/72/86/757757286.db2.gz ZWOASIOCRPBQOX-MNOVXSKESA-N 1 1 330.226 0.693 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021663141 757757291 /nfs/dbraw/zinc/75/72/91/757757291.db2.gz ZWOASIOCRPBQOX-MNOVXSKESA-N 1 1 330.226 0.693 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049043029 757768422 /nfs/dbraw/zinc/76/84/22/757768422.db2.gz JAJFYTMHRPCXDR-MJBXVCDLSA-N 1 1 331.416 0.538 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4nonc4C)C[C@@H]3C2)c1 ZINC001049047568 757774965 /nfs/dbraw/zinc/77/49/65/757774965.db2.gz MCYNIPMWKUAALI-IYBDPMFKSA-N 1 1 337.383 0.958 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nonc4C)C[C@@H]3C2)c1 ZINC001049047568 757774976 /nfs/dbraw/zinc/77/49/76/757774976.db2.gz MCYNIPMWKUAALI-IYBDPMFKSA-N 1 1 337.383 0.958 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2nnnc2C(C)C)C1 ZINC001021686970 757780307 /nfs/dbraw/zinc/78/03/07/757780307.db2.gz CUWZTJVZFVCLJY-CABCVRRESA-N 1 1 330.436 0.743 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021713158 757849582 /nfs/dbraw/zinc/84/95/82/757849582.db2.gz MQRDOYLNGIHDOM-KBPBESRZSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021714586 757850954 /nfs/dbraw/zinc/85/09/54/757850954.db2.gz XPRIRNAWIAXNSF-HUUCEWRRSA-N 1 1 348.447 0.769 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021724400 757863970 /nfs/dbraw/zinc/86/39/70/757863970.db2.gz LLWKIXCBYGZVPF-HUUCEWRRSA-N 1 1 333.436 0.389 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021724091 757864924 /nfs/dbraw/zinc/86/49/24/757864924.db2.gz JAOCSFZYMSCNRG-HZPDHXFCSA-N 1 1 347.463 0.779 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(=O)n(C)n2)C1 ZINC001021728573 757870301 /nfs/dbraw/zinc/87/03/01/757870301.db2.gz UUMYOUNFLDSLPR-HOCLYGCPSA-N 1 1 328.416 0.730 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049069217 757871470 /nfs/dbraw/zinc/87/14/70/757871470.db2.gz PKMRVNUVFOTHDZ-JKJDWNRSSA-N 1 1 333.432 0.198 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc(C)c(C(N)=O)cn3)C[C@H]2C1 ZINC001049072200 757878365 /nfs/dbraw/zinc/87/83/65/757878365.db2.gz WCPUURSZHBFJIC-OKILXGFUSA-N 1 1 326.400 0.516 20 30 ECEDMO C=CCC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)Cc3nnc[nH]3)nn2)C1 ZINC001107227035 757886237 /nfs/dbraw/zinc/88/62/37/757886237.db2.gz BAOMSEAAFFJWBZ-GFCCVEGCSA-N 1 1 344.423 0.467 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@H]2C1 ZINC001049074195 757887913 /nfs/dbraw/zinc/88/79/13/757887913.db2.gz VZNAFJHIRJQBHW-OKILXGFUSA-N 1 1 330.432 0.931 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@H]2C1 ZINC001049074539 757888219 /nfs/dbraw/zinc/88/82/19/757888219.db2.gz ZNAUHQIDFJJQBS-SOUVJXGZSA-N 1 1 328.420 0.039 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)NC(=O)c1c[nH]c(C#N)c1 ZINC001077019964 757952639 /nfs/dbraw/zinc/95/26/39/757952639.db2.gz JNAGUOGPXKEUGY-LBPRGKRZSA-N 1 1 331.420 0.995 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnns4)C[C@@H]3C2)nn1 ZINC001049103638 757965831 /nfs/dbraw/zinc/96/58/31/757965831.db2.gz RDMNWXFOGLSEHD-TXEJJXNPSA-N 1 1 345.432 0.520 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnns4)C[C@@H]3C2)nn1 ZINC001049103638 757965839 /nfs/dbraw/zinc/96/58/39/757965839.db2.gz RDMNWXFOGLSEHD-TXEJJXNPSA-N 1 1 345.432 0.520 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@H]2C1 ZINC001049112621 757993623 /nfs/dbraw/zinc/99/36/23/757993623.db2.gz VLGYOCMYNWFDHD-OKILXGFUSA-N 1 1 325.372 0.462 20 30 ECEDMO C#CCN1CC(n2cc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)nn2)C1 ZINC001107238405 758030677 /nfs/dbraw/zinc/03/06/77/758030677.db2.gz VGHAXAYDVGYCFA-OKILXGFUSA-N 1 1 330.436 0.257 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1 ZINC001049122687 758031304 /nfs/dbraw/zinc/03/13/04/758031304.db2.gz GWFBAELPTIRLMM-AOOOYVTPSA-N 1 1 326.198 0.717 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1 ZINC001049122687 758031313 /nfs/dbraw/zinc/03/13/13/758031313.db2.gz GWFBAELPTIRLMM-AOOOYVTPSA-N 1 1 326.198 0.717 20 30 ECEDMO C=CCCOCC(=O)NCc1cn(C2C[NH+](C[C@H](C)OC)C2)nn1 ZINC001107240876 758041673 /nfs/dbraw/zinc/04/16/73/758041673.db2.gz HWSMJTZWMBBKCN-ZDUSSCGKSA-N 1 1 337.424 0.379 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001077044983 758045203 /nfs/dbraw/zinc/04/52/03/758045203.db2.gz QYWYGMDZMXRJCV-OWCLPIDISA-N 1 1 337.464 0.905 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cccnn4)C[C@H]3C2)C1=O ZINC001049126494 758051914 /nfs/dbraw/zinc/05/19/14/758051914.db2.gz AORRSHADAXWEIG-IJEWVQPXSA-N 1 1 341.415 0.267 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001077059459 758056670 /nfs/dbraw/zinc/05/66/70/758056670.db2.gz JLXHPVSSGHNCOB-DGCLKSJQSA-N 1 1 326.347 0.314 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc(C)cn2)C1=O ZINC001032304663 758109951 /nfs/dbraw/zinc/10/99/51/758109951.db2.gz SDXDRVVGXUQEAT-HRCADAONSA-N 1 1 343.431 0.264 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc(C)cn2)C1=O ZINC001032304663 758109953 /nfs/dbraw/zinc/10/99/53/758109953.db2.gz SDXDRVVGXUQEAT-HRCADAONSA-N 1 1 343.431 0.264 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCO3)CCC[C@@H]12 ZINC001107266843 758110043 /nfs/dbraw/zinc/11/00/43/758110043.db2.gz RFHKBMCGOVTAHN-HDMKZQKVSA-N 1 1 333.432 0.276 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(CC)c(CC)n[nH]c2=O)C1 ZINC001077082633 758115327 /nfs/dbraw/zinc/11/53/27/758115327.db2.gz SUVKIQOTVVWVES-ZIAGYGMSSA-N 1 1 332.404 0.105 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12 ZINC001107289583 758178370 /nfs/dbraw/zinc/17/83/70/758178370.db2.gz GAFJNPZHPVFYEP-GDBMZVCRSA-N 1 1 348.476 0.933 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@H]2C1 ZINC001049162608 758183674 /nfs/dbraw/zinc/18/36/74/758183674.db2.gz VZBBUHIEWYHDLH-GASCZTMLSA-N 1 1 341.411 0.887 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCCO3)CCC[C@@H]12 ZINC001107296167 758195038 /nfs/dbraw/zinc/19/50/38/758195038.db2.gz JICVZQJKOOCTGK-FRQCXROJSA-N 1 1 347.459 0.666 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1cc(C)cn1 ZINC001077124058 758252673 /nfs/dbraw/zinc/25/26/73/758252673.db2.gz LQUFOTLTPXTXIG-HOTGVXAUSA-N 1 1 345.447 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1cc(C)cn1 ZINC001077124058 758252685 /nfs/dbraw/zinc/25/26/85/758252685.db2.gz LQUFOTLTPXTXIG-HOTGVXAUSA-N 1 1 345.447 0.300 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H]1CCOC1 ZINC001077124426 758285228 /nfs/dbraw/zinc/28/52/28/758285228.db2.gz VPVVGXMHPCGCTE-XHSDSOJGSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H]1CCOC1 ZINC001077124426 758285236 /nfs/dbraw/zinc/28/52/36/758285236.db2.gz VPVVGXMHPCGCTE-XHSDSOJGSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCn1cccn1 ZINC001077124333 758285302 /nfs/dbraw/zinc/28/53/02/758285302.db2.gz SLXXAPVWXPUDOX-HOTGVXAUSA-N 1 1 345.447 0.382 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCn1cccn1 ZINC001077124333 758285313 /nfs/dbraw/zinc/28/53/13/758285313.db2.gz SLXXAPVWXPUDOX-HOTGVXAUSA-N 1 1 345.447 0.382 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](OCC)C1CC1 ZINC001077124842 758286193 /nfs/dbraw/zinc/28/61/93/758286193.db2.gz FYRRXVVPVXRVNP-BHYGNILZSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](OCC)C1CC1 ZINC001077124842 758286199 /nfs/dbraw/zinc/28/61/99/758286199.db2.gz FYRRXVVPVXRVNP-BHYGNILZSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](OC)C(C)C ZINC001077125042 758288649 /nfs/dbraw/zinc/28/86/49/758288649.db2.gz KSQRAFZNKFYAGM-JYJNAYRXSA-N 1 1 337.464 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](OC)C(C)C ZINC001077125042 758288652 /nfs/dbraw/zinc/28/86/52/758288652.db2.gz KSQRAFZNKFYAGM-JYJNAYRXSA-N 1 1 337.464 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cscn1 ZINC001077125402 758290564 /nfs/dbraw/zinc/29/05/64/758290564.db2.gz ULUKPLOMXQEUJT-ZFWWWQNUSA-N 1 1 348.472 0.794 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cscn1 ZINC001077125402 758290574 /nfs/dbraw/zinc/29/05/74/758290574.db2.gz ULUKPLOMXQEUJT-ZFWWWQNUSA-N 1 1 348.472 0.794 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001077137310 758314078 /nfs/dbraw/zinc/31/40/78/758314078.db2.gz PIGNODYDAICMSK-GHMZBOCLSA-N 1 1 332.360 0.588 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001077147480 758343604 /nfs/dbraw/zinc/34/36/04/758343604.db2.gz QQVPKJZEJZAALS-BRWVUGGUSA-N 1 1 343.427 0.641 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)COC(C)(C)C)CCC[C@@H]12 ZINC001107372759 758397148 /nfs/dbraw/zinc/39/71/48/758397148.db2.gz PYAZDNOEWSHGIO-DNVCBOLYSA-N 1 1 349.475 0.912 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)(F)F)C1 ZINC001077178716 758416758 /nfs/dbraw/zinc/41/67/58/758416758.db2.gz XLHAVSSTXZKEBA-ZYHUDNBSSA-N 1 1 332.326 0.796 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)(F)F)C1 ZINC001077178716 758416762 /nfs/dbraw/zinc/41/67/62/758416762.db2.gz XLHAVSSTXZKEBA-ZYHUDNBSSA-N 1 1 332.326 0.796 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001049249495 758433353 /nfs/dbraw/zinc/43/33/53/758433353.db2.gz GHGFZIBZSLHZCT-NCOADZHNSA-N 1 1 349.475 0.550 20 30 ECEDMO COC[C@@H](C)[NH+]1CC(OC2CCN(C(=O)CSCC#N)CC2)C1 ZINC001105690908 758434706 /nfs/dbraw/zinc/43/47/06/758434706.db2.gz CFNSKNQCUGKCCI-CYBMUJFWSA-N 1 1 341.477 0.970 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001049250106 758435596 /nfs/dbraw/zinc/43/55/96/758435596.db2.gz XEIZKRDNHZEPBP-HOTGVXAUSA-N 1 1 346.431 0.415 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001049276430 758467977 /nfs/dbraw/zinc/46/79/77/758467977.db2.gz TWISWIXCARMMKU-KBMXLJTQSA-N 1 1 348.447 0.824 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)CCO3)[C@@H](O)C1 ZINC001083568579 758563758 /nfs/dbraw/zinc/56/37/58/758563758.db2.gz FRWKQVAVRJSGMH-ZBFHGGJFSA-N 1 1 331.416 0.866 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)nc1 ZINC001011804479 758625845 /nfs/dbraw/zinc/62/58/45/758625845.db2.gz CKGCFIXZMXUILH-OAHLLOKOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cn1 ZINC001011805602 758628576 /nfs/dbraw/zinc/62/85/76/758628576.db2.gz JNSZIAUWBQXJMY-HNNXBMFYSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]c(C)n2)nc1 ZINC001105908269 762645929 /nfs/dbraw/zinc/64/59/29/762645929.db2.gz LZBMPQAFLDEMAY-AWEZNQCLSA-N 1 1 325.372 0.673 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)C1 ZINC001077267091 758644633 /nfs/dbraw/zinc/64/46/33/758644633.db2.gz YUKNVXXXTGVDEC-VXGBXAGGSA-N 1 1 333.413 0.941 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]c(C#N)c1 ZINC001049425902 758669571 /nfs/dbraw/zinc/66/95/71/758669571.db2.gz QDHGCMOKVONANY-CVEARBPZSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]c(C#N)c1 ZINC001049425902 758669575 /nfs/dbraw/zinc/66/95/75/758669575.db2.gz QDHGCMOKVONANY-CVEARBPZSA-N 1 1 339.403 0.894 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001049456751 758739220 /nfs/dbraw/zinc/73/92/20/758739220.db2.gz OISFQZCNGYPVPD-KZNAEPCWSA-N 1 1 342.443 0.723 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)c[nH]2)C1 ZINC001077330603 758819624 /nfs/dbraw/zinc/81/96/24/758819624.db2.gz OVORHSWSUIEJFI-VXGBXAGGSA-N 1 1 326.194 0.575 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](C)COC)nn2)C1 ZINC001098669205 758848694 /nfs/dbraw/zinc/84/86/94/758848694.db2.gz KAXTULAMHGUJAO-GOEBONIOSA-N 1 1 333.436 0.980 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049528056 758864397 /nfs/dbraw/zinc/86/43/97/758864397.db2.gz ZUQWGEPGFIJIPY-MJBXVCDLSA-N 1 1 334.420 0.616 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 ZINC001049559975 758922692 /nfs/dbraw/zinc/92/26/92/758922692.db2.gz YYBMTSZCFRYZDA-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001049565678 758931656 /nfs/dbraw/zinc/93/16/56/758931656.db2.gz XGQBGIAGFDVPTH-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049579601 758957043 /nfs/dbraw/zinc/95/70/43/758957043.db2.gz LYFJVDPQKGMJMV-ZIAGYGMSSA-N 1 1 330.388 0.038 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049581368 758958363 /nfs/dbraw/zinc/95/83/63/758958363.db2.gz ZHEKQIOMKFGMAZ-KGLIPLIRSA-N 1 1 332.404 0.590 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001077385852 758971158 /nfs/dbraw/zinc/97/11/58/758971158.db2.gz LUBZUCGOMPKDOZ-NUEKZKHPSA-N 1 1 332.375 0.561 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cncn2)nc1 ZINC001049629881 759016776 /nfs/dbraw/zinc/01/67/76/759016776.db2.gz MWHBLASDYBFQPN-CVEARBPZSA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049636414 759032979 /nfs/dbraw/zinc/03/29/79/759032979.db2.gz CHDXZTZLJXGRDQ-CVEARBPZSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)[C@@H](O)C1 ZINC001083586661 759111611 /nfs/dbraw/zinc/11/16/11/759111611.db2.gz GEFVIGGDJJWSLQ-NEPJUHHUSA-N 1 1 331.397 0.388 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)[C@@H](O)C1 ZINC001083586661 759111615 /nfs/dbraw/zinc/11/16/15/759111615.db2.gz GEFVIGGDJJWSLQ-NEPJUHHUSA-N 1 1 331.397 0.388 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)N1CCC1 ZINC001049740604 759154069 /nfs/dbraw/zinc/15/40/69/759154069.db2.gz LRMMECJGXVFBFY-VQHPVUNQSA-N 1 1 347.459 0.875 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001049760584 759174036 /nfs/dbraw/zinc/17/40/36/759174036.db2.gz AZXMWQNYVZWEIW-OLZOCXBDSA-N 1 1 348.403 0.048 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049786698 759204766 /nfs/dbraw/zinc/20/47/66/759204766.db2.gz DJQBCBOAMZJQTQ-GJZGRUSLSA-N 1 1 346.431 0.568 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CNC(C)=O)cc2)[C@@H](O)C1 ZINC001083612602 759297127 /nfs/dbraw/zinc/29/71/27/759297127.db2.gz BYYSWFSXNAZWOP-SJORKVTESA-N 1 1 329.400 0.121 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CNC(C)=O)cc2)[C@@H](O)C1 ZINC001083612602 759297135 /nfs/dbraw/zinc/29/71/35/759297135.db2.gz BYYSWFSXNAZWOP-SJORKVTESA-N 1 1 329.400 0.121 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C(=O)NC)nc1 ZINC001049848547 759297729 /nfs/dbraw/zinc/29/77/29/759297729.db2.gz OJHFYUUUJLFOCC-HOTGVXAUSA-N 1 1 326.400 0.753 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 ZINC000991100008 759327228 /nfs/dbraw/zinc/32/72/28/759327228.db2.gz LOPAKFYPSBYVSS-DCGLDWPTSA-N 1 1 334.420 0.664 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1NC(=O)NC1=O ZINC001049883921 759343616 /nfs/dbraw/zinc/34/36/16/759343616.db2.gz JYWGMSZZUDLQHZ-HZSPNIEDSA-N 1 1 332.404 0.063 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049883675 759344640 /nfs/dbraw/zinc/34/46/40/759344640.db2.gz JDMWGEDKZZROII-QWHCGFSZSA-N 1 1 329.404 0.831 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001047636909 759368342 /nfs/dbraw/zinc/36/83/42/759368342.db2.gz QTRONPIOCMMLAW-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001047636909 759368355 /nfs/dbraw/zinc/36/83/55/759368355.db2.gz QTRONPIOCMMLAW-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047637349 759370052 /nfs/dbraw/zinc/37/00/52/759370052.db2.gz VHLPJWULZPYOAF-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047637349 759370063 /nfs/dbraw/zinc/37/00/63/759370063.db2.gz VHLPJWULZPYOAF-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001049900968 759379562 /nfs/dbraw/zinc/37/95/62/759379562.db2.gz WCFXEQBKJBHOJO-JHJVBQTASA-N 1 1 347.868 0.496 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001049900968 759379571 /nfs/dbraw/zinc/37/95/71/759379571.db2.gz WCFXEQBKJBHOJO-JHJVBQTASA-N 1 1 347.868 0.496 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1COCCN1C(C)=O ZINC001049904795 759385823 /nfs/dbraw/zinc/38/58/23/759385823.db2.gz RTMQMZPYADGWGE-BBWFWOEESA-N 1 1 335.448 0.875 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cncc(C(N)=O)c1)C2 ZINC001054242211 767856856 /nfs/dbraw/zinc/85/68/56/767856856.db2.gz HKKONJFOHUGURS-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cncc(C(N)=O)c1)C2 ZINC001054242212 767857443 /nfs/dbraw/zinc/85/74/43/767857443.db2.gz HKKONJFOHUGURS-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(CC(N)=O)nn1)C2 ZINC001054244331 767861149 /nfs/dbraw/zinc/86/11/49/767861149.db2.gz CRXYVYVDXIMSAQ-KRWDZBQOSA-N 1 1 346.435 0.268 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2OCC(N)=O)[C@@H](O)C1 ZINC001083620271 759471569 /nfs/dbraw/zinc/47/15/69/759471569.db2.gz CHPYEMFTYOUBJW-CABCVRRESA-N 1 1 347.415 0.292 20 30 ECEDMO COC[C@@H](O)C[NH+]1CC(OC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001105705904 759552161 /nfs/dbraw/zinc/55/21/61/759552161.db2.gz NVYOBRRDYAPELO-HNNXBMFYSA-N 1 1 336.432 0.099 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H](O)C1 ZINC001083624126 759554805 /nfs/dbraw/zinc/55/48/05/759554805.db2.gz RJJJFQUOXXZGJL-CVEARBPZSA-N 1 1 329.400 0.922 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001050060873 759634876 /nfs/dbraw/zinc/63/48/76/759634876.db2.gz CGUOZHOOGMNHCU-GVDBMIGSSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1cc(C)[nH+]c(C)n1 ZINC001125100024 759675966 /nfs/dbraw/zinc/67/59/66/759675966.db2.gz HVHHXYXJVJCGTJ-WMLDXEAASA-N 1 1 336.436 0.676 20 30 ECEDMO Cn1cc(C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)n(C)c1=O ZINC001032211567 759711843 /nfs/dbraw/zinc/71/18/43/759711843.db2.gz REUUEFIVGXSXFU-UHFFFAOYSA-N 1 1 339.399 0.457 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C)c(C#N)cn1 ZINC001050106522 759716525 /nfs/dbraw/zinc/71/65/25/759716525.db2.gz QIWJCDBGKOTCLR-KMFMINBZSA-N 1 1 343.431 0.676 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C)c(C#N)cn1 ZINC001050106522 759716528 /nfs/dbraw/zinc/71/65/28/759716528.db2.gz QIWJCDBGKOTCLR-KMFMINBZSA-N 1 1 343.431 0.676 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2C1 ZINC001054284105 767893400 /nfs/dbraw/zinc/89/34/00/767893400.db2.gz FMLYWEHCEUGDQG-HNNXBMFYSA-N 1 1 340.383 0.240 20 30 ECEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2C1 ZINC001054284105 767893407 /nfs/dbraw/zinc/89/34/07/767893407.db2.gz FMLYWEHCEUGDQG-HNNXBMFYSA-N 1 1 340.383 0.240 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001050161245 759829361 /nfs/dbraw/zinc/82/93/61/759829361.db2.gz NLPDKDHQYHHIBG-WCQYABFASA-N 1 1 339.823 0.715 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001050161245 759829368 /nfs/dbraw/zinc/82/93/68/759829368.db2.gz NLPDKDHQYHHIBG-WCQYABFASA-N 1 1 339.823 0.715 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4n[nH]c(=O)n4c3)[C@@H]2C1 ZINC001050161467 759829819 /nfs/dbraw/zinc/82/98/19/759829819.db2.gz ZYDJKTKXFKQAFD-DZGCQCFKSA-N 1 1 339.399 0.995 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cccc(C(N)=O)n3)C2)cc1 ZINC001032214441 759831455 /nfs/dbraw/zinc/83/14/55/759831455.db2.gz CBZRBOAYYKHYMP-UHFFFAOYSA-N 1 1 349.394 0.914 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@@H]2C[N@H+](CC(C)C)CCO2)C1=O ZINC000348500864 759848553 /nfs/dbraw/zinc/84/85/53/759848553.db2.gz ORBLEBJLAQDXBL-UONOGXRCSA-N 1 1 325.409 0.466 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1=O ZINC000348500864 759848563 /nfs/dbraw/zinc/84/85/63/759848563.db2.gz ORBLEBJLAQDXBL-UONOGXRCSA-N 1 1 325.409 0.466 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@]2(C1)C[C@H](NC(C)=O)c1ccccc1O2 ZINC001111529202 759859584 /nfs/dbraw/zinc/85/95/84/759859584.db2.gz GLRCJCHTRWUNOD-QFBILLFUSA-N 1 1 341.411 0.840 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@]2(C1)C[C@H](NC(C)=O)c1ccccc1O2 ZINC001111529202 759859588 /nfs/dbraw/zinc/85/95/88/759859588.db2.gz GLRCJCHTRWUNOD-QFBILLFUSA-N 1 1 341.411 0.840 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993011847 767896827 /nfs/dbraw/zinc/89/68/27/767896827.db2.gz IOWNVIIIXZJNOA-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3nc4n(c3=O)CCCC4)[C@@H]2C1 ZINC001050179375 759877214 /nfs/dbraw/zinc/87/72/14/759877214.db2.gz CIQPVMLTDWAIPV-LSDHHAIUSA-N 1 1 345.447 0.490 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc3c(c2)CN(CC#N)C3)C1 ZINC001054292585 767901314 /nfs/dbraw/zinc/90/13/14/767901314.db2.gz MHNHLGHFGQWZNW-QGZVFWFLSA-N 1 1 328.416 0.863 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc3c(c2)CN(CC#N)C3)C1 ZINC001054292585 767901317 /nfs/dbraw/zinc/90/13/17/767901317.db2.gz MHNHLGHFGQWZNW-QGZVFWFLSA-N 1 1 328.416 0.863 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C[C@@H](C)O)C[C@H]32)CC1 ZINC001050208200 759942523 /nfs/dbraw/zinc/94/25/23/759942523.db2.gz GQCJKXSVDLDIDV-BPQIPLTHSA-N 1 1 333.476 0.635 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)CC1 ZINC001050208200 759942528 /nfs/dbraw/zinc/94/25/28/759942528.db2.gz GQCJKXSVDLDIDV-BPQIPLTHSA-N 1 1 333.476 0.635 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](CC[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001050234440 760013090 /nfs/dbraw/zinc/01/30/90/760013090.db2.gz HBHMHWNVAOJJTN-NVXWUHKLSA-N 1 1 346.475 0.048 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993018729 767911835 /nfs/dbraw/zinc/91/18/35/767911835.db2.gz UFNXCZMIEMPKOJ-BXUZGUMPSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993018729 767911838 /nfs/dbraw/zinc/91/18/38/767911838.db2.gz UFNXCZMIEMPKOJ-BXUZGUMPSA-N 1 1 345.432 0.776 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001050298573 760081801 /nfs/dbraw/zinc/08/18/01/760081801.db2.gz WHCPSLJCJWOPEZ-CABCVRRESA-N 1 1 325.453 0.882 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000945381767 760163568 /nfs/dbraw/zinc/16/35/68/760163568.db2.gz PKNYBDKFZDRZAP-OAGGEKHMSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(OC)ccn32)[C@@H](O)C1 ZINC001083642060 760208076 /nfs/dbraw/zinc/20/80/76/760208076.db2.gz NOVVUVHPVIANRR-HIFRSBDPSA-N 1 1 328.372 0.141 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2C(F)(F)F)[C@@H](O)C1 ZINC001083647118 760428952 /nfs/dbraw/zinc/42/89/52/760428952.db2.gz MYHHBBAVOWNIKJ-ZJUUUORDSA-N 1 1 330.310 0.535 20 30 ECEDMO CCCC(=O)N1C[C@@H](C)OC2(CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001111533842 767950587 /nfs/dbraw/zinc/95/05/87/767950587.db2.gz OFDQHXLRZRMKJZ-CQSZACIVSA-N 1 1 336.436 0.508 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(CC)C2=O)C1 ZINC001030024743 760629999 /nfs/dbraw/zinc/62/99/99/760629999.db2.gz SQTXITKFGIFJTF-IXDOHACOSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCN(CC)C2=O)C1 ZINC001030024743 760630006 /nfs/dbraw/zinc/63/00/06/760630006.db2.gz SQTXITKFGIFJTF-IXDOHACOSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@@H]2CCN(CC)C2=O)C1 ZINC001030024743 760630010 /nfs/dbraw/zinc/63/00/10/760630010.db2.gz SQTXITKFGIFJTF-IXDOHACOSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@@H]2CCN(CC)C2=O)C1 ZINC001030024743 760630017 /nfs/dbraw/zinc/63/00/17/760630017.db2.gz SQTXITKFGIFJTF-IXDOHACOSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)C2 ZINC001048546018 760693426 /nfs/dbraw/zinc/69/34/26/760693426.db2.gz VREKCZUTYIHLLN-LVQVYYBASA-N 1 1 332.448 0.770 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC3(C1)NC(=O)NC3=O)C2 ZINC001048570819 760732052 /nfs/dbraw/zinc/73/20/52/760732052.db2.gz WXHAYVQFNKFTGP-CQICXDCLSA-N 1 1 346.431 0.520 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)nn1 ZINC001048572568 760735615 /nfs/dbraw/zinc/73/56/15/760735615.db2.gz MSHBCTLMYKJQOZ-YIYPIFLZSA-N 1 1 346.435 0.311 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001050735014 760754514 /nfs/dbraw/zinc/75/45/14/760754514.db2.gz DZPQEVFGECJRJS-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001050734990 760754573 /nfs/dbraw/zinc/75/45/73/760754573.db2.gz DUJJGAAHNNALMX-HOTGVXAUSA-N 1 1 346.431 0.585 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1c1ccnc(C#N)n1 ZINC001048586710 760759678 /nfs/dbraw/zinc/75/96/78/760759678.db2.gz AGMJSEUQTSYYRM-MJBXVCDLSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2nncs2)C(C)(C)C1 ZINC000995925669 760787556 /nfs/dbraw/zinc/78/75/56/760787556.db2.gz SWBRVAWINHAUDX-KBPBESRZSA-N 1 1 347.488 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2nncs2)C(C)(C)C1 ZINC000995925669 760787562 /nfs/dbraw/zinc/78/75/62/760787562.db2.gz SWBRVAWINHAUDX-KBPBESRZSA-N 1 1 347.488 0.962 20 30 ECEDMO C#CCC[NH+]1CCC2(CN(C(=O)[C@H](C)CN3CCOCC3)C2)CC1 ZINC001050756848 760789734 /nfs/dbraw/zinc/78/97/34/760789734.db2.gz KALUALBQOJINID-QGZVFWFLSA-N 1 1 333.476 0.902 20 30 ECEDMO C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001050772649 760819367 /nfs/dbraw/zinc/81/93/67/760819367.db2.gz NLBFYTKFJFSCNO-UKRRQHHQSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C[C@@H]4CCCO4)C[C@H]3C2)C1=O ZINC001048695066 760957288 /nfs/dbraw/zinc/95/72/88/760957288.db2.gz FJTWKNSWUYZLAF-VVLHAWIVSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC4N=NC(=O)N4C3)CCC[C@H]12 ZINC000991445309 760975539 /nfs/dbraw/zinc/97/55/39/760975539.db2.gz HNFWSMFAWFXPEX-QWQRMKEZSA-N 1 1 343.431 0.683 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001048708946 760992145 /nfs/dbraw/zinc/99/21/45/760992145.db2.gz NVBDTTADQILTPK-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C=C(C)C)C[C@@H](C)O2 ZINC001111534298 767998675 /nfs/dbraw/zinc/99/86/75/767998675.db2.gz UYVNWQFKRSVIAT-MRXNPFEDSA-N 1 1 347.459 0.784 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)[C@@H](O)C1 ZINC001083675366 761034664 /nfs/dbraw/zinc/03/46/64/761034664.db2.gz YMYXBFSKZMIGHF-YUELXQCFSA-N 1 1 334.420 0.275 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3ccc(O)cc3)C[C@@H]2C1 ZINC001048725791 761049558 /nfs/dbraw/zinc/04/95/58/761049558.db2.gz VYPQWRROPHGPBP-MCIONIFRSA-N 1 1 342.399 0.881 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3ccc(O)cc3)C[C@@H]2C1 ZINC001048725791 761049567 /nfs/dbraw/zinc/04/95/67/761049567.db2.gz VYPQWRROPHGPBP-MCIONIFRSA-N 1 1 342.399 0.881 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(CC4CC4)nn3)C[C@@H]2C1 ZINC001048727494 761054020 /nfs/dbraw/zinc/05/40/20/761054020.db2.gz LCZQSPILRRTDFF-YUELXQCFSA-N 1 1 328.420 0.738 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3cn(CC4CC4)nn3)C[C@@H]2C1 ZINC001048727494 761054028 /nfs/dbraw/zinc/05/40/28/761054028.db2.gz LCZQSPILRRTDFF-YUELXQCFSA-N 1 1 328.420 0.738 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1c1ccnc(C#N)n1 ZINC001050903245 761110563 /nfs/dbraw/zinc/11/05/63/761110563.db2.gz ZWPDATDBWXYSCE-RDBSUJKOSA-N 1 1 328.420 0.916 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001077448702 761217209 /nfs/dbraw/zinc/21/72/09/761217209.db2.gz DAZOEJNPJWPYEP-HZPDHXFCSA-N 1 1 342.403 0.403 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cnc(C)o1 ZINC001050962207 761230390 /nfs/dbraw/zinc/23/03/90/761230390.db2.gz GEWOCZYCQNJZPC-WBVHZDCISA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cnc(C)o1 ZINC001050962207 761230393 /nfs/dbraw/zinc/23/03/93/761230393.db2.gz GEWOCZYCQNJZPC-WBVHZDCISA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cnoc1C ZINC001050962356 761230526 /nfs/dbraw/zinc/23/05/26/761230526.db2.gz JWMNDHQIKIRSIK-SJORKVTESA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cnoc1C ZINC001050962356 761230527 /nfs/dbraw/zinc/23/05/27/761230527.db2.gz JWMNDHQIKIRSIK-SJORKVTESA-N 1 1 346.431 0.398 20 30 ECEDMO C=CCC[NH+]1CC(OC2CCN(C(=O)C(=O)NCC(F)F)CC2)C1 ZINC001105714138 761247363 /nfs/dbraw/zinc/24/73/63/761247363.db2.gz LDPDVWFGNMWXJJ-UHFFFAOYSA-N 1 1 345.390 0.636 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2ccccn2c1=O ZINC001050987113 761279737 /nfs/dbraw/zinc/27/97/37/761279737.db2.gz PCFNANFXKLBSLT-AWEZNQCLSA-N 1 1 342.399 0.701 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2ccccn2c1=O ZINC001050987113 761279745 /nfs/dbraw/zinc/27/97/45/761279745.db2.gz PCFNANFXKLBSLT-AWEZNQCLSA-N 1 1 342.399 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)C[C@H]3CCOC3)C2)C1=O ZINC001030033634 761284683 /nfs/dbraw/zinc/28/46/83/761284683.db2.gz ILRAEVHJPLBHTB-OWCLPIDISA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)C[C@H]3CCOC3)C2)C1=O ZINC001030033634 761284685 /nfs/dbraw/zinc/28/46/85/761284685.db2.gz ILRAEVHJPLBHTB-OWCLPIDISA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1OC ZINC001212149579 761308688 /nfs/dbraw/zinc/30/86/88/761308688.db2.gz BIUPSGQTNMPCSU-HZPDHXFCSA-N 1 1 335.448 0.522 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001054532372 768032327 /nfs/dbraw/zinc/03/23/27/768032327.db2.gz PHMKSNYEEMFJPQ-FZMZJTMJSA-N 1 1 342.407 0.533 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001051056343 761407537 /nfs/dbraw/zinc/40/75/37/761407537.db2.gz MTDYFAKVUPLVQG-HNNXBMFYSA-N 1 1 348.447 0.794 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001051056343 761407545 /nfs/dbraw/zinc/40/75/45/761407545.db2.gz MTDYFAKVUPLVQG-HNNXBMFYSA-N 1 1 348.447 0.794 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC2)C1 ZINC001105736433 761419985 /nfs/dbraw/zinc/41/99/85/761419985.db2.gz WWSMMDSEGWEYOH-QGZVFWFLSA-N 1 1 349.475 0.849 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054568454 768044281 /nfs/dbraw/zinc/04/42/81/768044281.db2.gz FBUBRIRTMOZPCP-QMTHXVAHSA-N 1 1 340.391 0.458 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1 ZINC001054547175 768038047 /nfs/dbraw/zinc/03/80/47/768038047.db2.gz LMQRUMFOMBWOQW-ABAIWWIYSA-N 1 1 327.392 0.748 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001054548045 768038619 /nfs/dbraw/zinc/03/86/19/768038619.db2.gz OEBNBHGXGBPENG-FZMZJTMJSA-N 1 1 327.392 0.748 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001017492142 768054992 /nfs/dbraw/zinc/05/49/92/768054992.db2.gz FUQCORFJIBZYEE-UKRRQHHQSA-N 1 1 334.420 0.142 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001017492142 768054996 /nfs/dbraw/zinc/05/49/96/768054996.db2.gz FUQCORFJIBZYEE-UKRRQHHQSA-N 1 1 334.420 0.142 20 30 ECEDMO CCc1nc(NC[C@H](O)CNC(=O)c2ccc(C#N)[nH]2)cc(C)[nH+]1 ZINC001105789177 761805261 /nfs/dbraw/zinc/80/52/61/761805261.db2.gz SWRDXJKZOSWZEU-LBPRGKRZSA-N 1 1 328.376 0.750 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1snc(C)c1C#N ZINC001105918114 762756008 /nfs/dbraw/zinc/75/60/08/762756008.db2.gz XGWSFSJIOGLJMO-GFCCVEGCSA-N 1 1 339.465 0.944 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)C2)cc1 ZINC001014581321 762859872 /nfs/dbraw/zinc/85/98/72/762859872.db2.gz BTLLCWXBCXNFEG-HNNXBMFYSA-N 1 1 340.387 0.571 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C[C@H]1O ZINC001051750680 762873667 /nfs/dbraw/zinc/87/36/67/762873667.db2.gz OQYBJIFOXBZSSU-LSDHHAIUSA-N 1 1 340.387 0.214 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001051801759 762998432 /nfs/dbraw/zinc/99/84/32/762998432.db2.gz OYMCQZUUDAPVET-CQSZACIVSA-N 1 1 349.435 0.172 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)ccc1F ZINC001014711009 763025700 /nfs/dbraw/zinc/02/57/00/763025700.db2.gz KYHVVGOCLDUWOF-UKRRQHHQSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)ccc1F ZINC001014711009 763025709 /nfs/dbraw/zinc/02/57/09/763025709.db2.gz KYHVVGOCLDUWOF-UKRRQHHQSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCOCC3=O)C2)cc1 ZINC001014741459 763070409 /nfs/dbraw/zinc/07/04/09/763070409.db2.gz PUWLNBWQADJSFK-INIZCTEOSA-N 1 1 342.399 0.108 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 ZINC001127654214 763101073 /nfs/dbraw/zinc/10/10/73/763101073.db2.gz KTMHDCQKZJOMJM-UHFFFAOYSA-N 1 1 328.420 0.941 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)nc1 ZINC001046781635 763117235 /nfs/dbraw/zinc/11/72/35/763117235.db2.gz KZCPOSIXUWLEPP-RDTXWAMCSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)nc1 ZINC001046781635 763117241 /nfs/dbraw/zinc/11/72/41/763117241.db2.gz KZCPOSIXUWLEPP-RDTXWAMCSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001046782701 763118553 /nfs/dbraw/zinc/11/85/53/763118553.db2.gz DHUAXLTYWNSPTI-MAUKXSAKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001046782701 763118559 /nfs/dbraw/zinc/11/85/59/763118559.db2.gz DHUAXLTYWNSPTI-MAUKXSAKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001014768513 763122792 /nfs/dbraw/zinc/12/27/92/763122792.db2.gz DAHFYLGELIZJDX-IRXDYDNUSA-N 1 1 329.448 0.517 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001014768513 763122798 /nfs/dbraw/zinc/12/27/98/763122798.db2.gz DAHFYLGELIZJDX-IRXDYDNUSA-N 1 1 329.448 0.517 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)cn1 ZINC001089842437 763134302 /nfs/dbraw/zinc/13/43/02/763134302.db2.gz JRGQWLUGNBTQRC-FQLMCAECSA-N 1 1 328.416 0.749 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001105972515 763134761 /nfs/dbraw/zinc/13/47/61/763134761.db2.gz LGICJAOTFJMDOL-LSDHHAIUSA-N 1 1 331.420 0.715 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCN2CCCC2=O)C1 ZINC001014777679 763137310 /nfs/dbraw/zinc/13/73/10/763137310.db2.gz APAFGTMZPUAWCH-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnc(C)nc2)C1 ZINC001014780932 763142169 /nfs/dbraw/zinc/14/21/69/763142169.db2.gz YJDGAVMLFCLJDD-IRXDYDNUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnc(C)nc2)C1 ZINC001014780932 763142175 /nfs/dbraw/zinc/14/21/75/763142175.db2.gz YJDGAVMLFCLJDD-IRXDYDNUSA-N 1 1 327.432 0.573 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccon3)C2)nn1 ZINC001051864120 763146750 /nfs/dbraw/zinc/14/67/50/763146750.db2.gz UXMCHARHZAMLRS-CQSZACIVSA-N 1 1 346.391 0.473 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(N)=O)C2)cc1 ZINC001089852408 763173452 /nfs/dbraw/zinc/17/34/52/763173452.db2.gz FECKABQZWTVYCI-QAETUUGQSA-N 1 1 338.411 0.712 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccn(C)n3)C2)C1=O ZINC001046840670 763205953 /nfs/dbraw/zinc/20/59/53/763205953.db2.gz ZZTGSWCECSGVOM-WMLDXEAASA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccn(C)n3)C2)C1=O ZINC001046840670 763205963 /nfs/dbraw/zinc/20/59/63/763205963.db2.gz ZZTGSWCECSGVOM-WMLDXEAASA-N 1 1 331.420 0.401 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN(Cc3n[nH]c(C)n3)C2)CC1 ZINC001046850623 763232133 /nfs/dbraw/zinc/23/21/33/763232133.db2.gz YQVWDHXAGJGQLI-GOSISDBHSA-N 1 1 344.463 0.539 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3coc(OC)n3)C2)C1=O ZINC001031879820 763270794 /nfs/dbraw/zinc/27/07/94/763270794.db2.gz ZPLTYWILVLGLHK-CYBMUJFWSA-N 1 1 334.376 0.132 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)nc3CC)C2)C1=O ZINC001014840476 763285763 /nfs/dbraw/zinc/28/57/63/763285763.db2.gz FSLBFGUQMKRBOZ-BBRMVZONSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)nc3CC)C2)C1=O ZINC001014840476 763285769 /nfs/dbraw/zinc/28/57/69/763285769.db2.gz FSLBFGUQMKRBOZ-BBRMVZONSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1=O ZINC001030438949 763302976 /nfs/dbraw/zinc/30/29/76/763302976.db2.gz ODOYCNLQQBPEKE-GJZGRUSLSA-N 1 1 343.431 0.348 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nonc3C)C2)cn1 ZINC001051909805 763305828 /nfs/dbraw/zinc/30/58/28/763305828.db2.gz ZOHOETLQRHFDOC-OAHLLOKOSA-N 1 1 341.371 0.385 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@]2(C)CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001046900190 763342421 /nfs/dbraw/zinc/34/24/21/763342421.db2.gz AZNWLYPNEWHGFI-QFBILLFUSA-N 1 1 348.491 0.697 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001106921568 763346924 /nfs/dbraw/zinc/34/69/24/763346924.db2.gz MENVMSVWUNLQSO-KRWDZBQOSA-N 1 1 345.447 0.745 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001106921568 763346932 /nfs/dbraw/zinc/34/69/32/763346932.db2.gz MENVMSVWUNLQSO-KRWDZBQOSA-N 1 1 345.447 0.745 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 ZINC001120400837 763430122 /nfs/dbraw/zinc/43/01/22/763430122.db2.gz FIEJPZVAMMXWOP-GJZGRUSLSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046944589 763433080 /nfs/dbraw/zinc/43/30/80/763433080.db2.gz JSYZROHHVCEDLS-CHWSQXEVSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ncnn2CC(C)C)C1 ZINC001030461918 763433062 /nfs/dbraw/zinc/43/30/62/763433062.db2.gz CHLCQIGLOOTNRN-INIZCTEOSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ncnn2CC(C)C)C1 ZINC001030461918 763433066 /nfs/dbraw/zinc/43/30/66/763433066.db2.gz CHLCQIGLOOTNRN-INIZCTEOSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(C(C)(C)C)n2)C1 ZINC001030462465 763439192 /nfs/dbraw/zinc/43/91/92/763439192.db2.gz YGZOTGRAIBCWSB-AWEZNQCLSA-N 1 1 345.447 0.765 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(C(C)(C)C)n2)C1 ZINC001030462465 763439198 /nfs/dbraw/zinc/43/91/98/763439198.db2.gz YGZOTGRAIBCWSB-AWEZNQCLSA-N 1 1 345.447 0.765 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001046953852 763453855 /nfs/dbraw/zinc/45/38/55/763453855.db2.gz LXZHBWHOBYGEIC-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001046953852 763453861 /nfs/dbraw/zinc/45/38/61/763453861.db2.gz LXZHBWHOBYGEIC-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C[C@@H](O)C2CCCCC2)C1 ZINC001030464222 763456181 /nfs/dbraw/zinc/45/61/81/763456181.db2.gz LFNJNCYSYDFCPG-ZWKOTPCHSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C[C@@H](O)C2CCCCC2)C1 ZINC001030464222 763456185 /nfs/dbraw/zinc/45/61/85/763456185.db2.gz LFNJNCYSYDFCPG-ZWKOTPCHSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001030464222 763456188 /nfs/dbraw/zinc/45/61/88/763456188.db2.gz LFNJNCYSYDFCPG-ZWKOTPCHSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CCCc2nc(C)no2)C1 ZINC001030464498 763459006 /nfs/dbraw/zinc/45/90/06/763459006.db2.gz WWZBFVDWNMUUPG-HNNXBMFYSA-N 1 1 331.420 0.209 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCCc2nc(C)no2)C1 ZINC001030464498 763459009 /nfs/dbraw/zinc/45/90/09/763459009.db2.gz WWZBFVDWNMUUPG-HNNXBMFYSA-N 1 1 331.420 0.209 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001046956441 763459711 /nfs/dbraw/zinc/45/97/11/763459711.db2.gz VKWRMHAAGQDECZ-HUUCEWRRSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001046956441 763459715 /nfs/dbraw/zinc/45/97/15/763459715.db2.gz VKWRMHAAGQDECZ-HUUCEWRRSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001046960574 763466913 /nfs/dbraw/zinc/46/69/13/763466913.db2.gz MVAOJDMKVMGXRO-ZQDZILKHSA-N 1 1 342.386 0.745 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001046960574 763466917 /nfs/dbraw/zinc/46/69/17/763466917.db2.gz MVAOJDMKVMGXRO-ZQDZILKHSA-N 1 1 342.386 0.745 20 30 ECEDMO C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001046961052 763468217 /nfs/dbraw/zinc/46/82/17/763468217.db2.gz HYAJJURDNMZAGE-LBPRGKRZSA-N 1 1 336.346 0.997 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@@H]2CCN(C(=O)CS(C)(=O)=O)C2)CC1 ZINC001051989196 763525524 /nfs/dbraw/zinc/52/55/24/763525524.db2.gz DLAGOFLEOJENBB-OAHLLOKOSA-N 1 1 343.493 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001046991652 763525692 /nfs/dbraw/zinc/52/56/92/763525692.db2.gz JPGSICUTANSYIH-AWEZNQCLSA-N 1 1 340.374 0.850 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001046991652 763525694 /nfs/dbraw/zinc/52/56/94/763525694.db2.gz JPGSICUTANSYIH-AWEZNQCLSA-N 1 1 340.374 0.850 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001046992552 763528220 /nfs/dbraw/zinc/52/82/20/763528220.db2.gz YFDDZAKYFDXTSN-GJZGRUSLSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046996081 763536495 /nfs/dbraw/zinc/53/64/95/763536495.db2.gz SMEDDNJGMHKUPQ-GFCCVEGCSA-N 1 1 340.374 0.434 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046996081 763536503 /nfs/dbraw/zinc/53/65/03/763536503.db2.gz SMEDDNJGMHKUPQ-GFCCVEGCSA-N 1 1 340.374 0.434 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001046997894 763539144 /nfs/dbraw/zinc/53/91/44/763539144.db2.gz FAKQPXOSRAUSKD-STQMWFEESA-N 1 1 342.390 0.626 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001046997894 763539146 /nfs/dbraw/zinc/53/91/46/763539146.db2.gz FAKQPXOSRAUSKD-STQMWFEESA-N 1 1 342.390 0.626 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031918051 763565632 /nfs/dbraw/zinc/56/56/32/763565632.db2.gz UOJFGQWPUYBHLS-MRXNPFEDSA-N 1 1 326.400 0.727 20 30 ECEDMO C#CCC1(C(=O)NC[C@H](O)CNc2cc(C)[nH+]c(C)n2)CCOCC1 ZINC001106001971 763571778 /nfs/dbraw/zinc/57/17/78/763571778.db2.gz AZGFAAMPVJYJDS-OAHLLOKOSA-N 1 1 346.431 0.803 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)CC1 ZINC001052011122 763580405 /nfs/dbraw/zinc/58/04/05/763580405.db2.gz NDUCMDBKTBCOHE-INIZCTEOSA-N 1 1 328.416 0.643 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N2CCC2)C3)c1 ZINC001047049945 763592514 /nfs/dbraw/zinc/59/25/14/763592514.db2.gz BWNNZTGKNWZNRS-QEJZJMRPSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCn2cncn2)C3)c1 ZINC001047050976 763593435 /nfs/dbraw/zinc/59/34/35/763593435.db2.gz UAFSVEPYICOVKE-QEJZJMRPSA-N 1 1 339.403 0.761 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)CC1 ZINC001052017528 763594672 /nfs/dbraw/zinc/59/46/72/763594672.db2.gz MJJMCKBJUFDEPD-JKSUJKDBSA-N 1 1 330.436 0.081 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC2CC2)C3)[nH]1 ZINC001047054826 763599953 /nfs/dbraw/zinc/59/99/53/763599953.db2.gz FSXCWOYNBLRVMV-GLQYFDAESA-N 1 1 341.415 0.748 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)C1 ZINC001106003577 763603410 /nfs/dbraw/zinc/60/34/10/763603410.db2.gz DSCGGIVGSKHLKD-ZFWWWQNUSA-N 1 1 346.435 0.215 20 30 ECEDMO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2(C#N)CCN(C)CC2)cn1 ZINC001127702911 763612443 /nfs/dbraw/zinc/61/24/43/763612443.db2.gz MPOLNNLGWBITPN-HOTGVXAUSA-N 1 1 344.463 0.560 20 30 ECEDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2(C#N)CCN(C)CC2)cn1 ZINC001127702911 763612445 /nfs/dbraw/zinc/61/24/45/763612445.db2.gz MPOLNNLGWBITPN-HOTGVXAUSA-N 1 1 344.463 0.560 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001052025434 763616197 /nfs/dbraw/zinc/61/61/97/763616197.db2.gz DIDAOYHXCSENED-ZWKOTPCHSA-N 1 1 332.492 0.711 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C3(c4ccccn4)CC3)C2)CC1 ZINC001052026174 763619103 /nfs/dbraw/zinc/61/91/03/763619103.db2.gz BINFGXPSISCLAS-KRWDZBQOSA-N 1 1 338.455 0.965 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)nnc3C)C2)CC1 ZINC001052033733 763637900 /nfs/dbraw/zinc/63/79/00/763637900.db2.gz UJSDHFHPVSDWJW-INIZCTEOSA-N 1 1 327.432 0.559 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052034000 763637971 /nfs/dbraw/zinc/63/79/71/763637971.db2.gz YUGJBMLESNGOAG-SJORKVTESA-N 1 1 346.475 0.095 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001047082606 763642002 /nfs/dbraw/zinc/64/20/02/763642002.db2.gz RURFQCSMAFCDON-MGPQQGTHSA-N 1 1 328.420 0.561 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc(C4CC4)no3)C2)CC1 ZINC001052035518 763644071 /nfs/dbraw/zinc/64/40/71/763644071.db2.gz DIIFTEUJEXNBHN-OAHLLOKOSA-N 1 1 343.431 0.837 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccn(C)n3)C2)CC1 ZINC001052036010 763646705 /nfs/dbraw/zinc/64/67/05/763646705.db2.gz WVRWTZLPCIIHEI-GOSISDBHSA-N 1 1 343.475 0.595 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052036323 763648218 /nfs/dbraw/zinc/64/82/18/763648218.db2.gz LKCIRESOOIZIOG-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052036323 763648220 /nfs/dbraw/zinc/64/82/20/763648220.db2.gz LKCIRESOOIZIOG-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037048 763652300 /nfs/dbraw/zinc/65/23/00/763652300.db2.gz CUJDOKLURMZKRK-KRWDZBQOSA-N 1 1 329.448 0.123 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4ncccc34)C2)CC1 ZINC001052037210 763653601 /nfs/dbraw/zinc/65/36/01/763653601.db2.gz HPCSVLOSNGUPIQ-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO Cc1nn(C)cc1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052037522 763655446 /nfs/dbraw/zinc/65/54/46/763655446.db2.gz NDJVIVJDJZGSHE-INIZCTEOSA-N 1 1 330.436 0.013 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C2)CC1 ZINC001052037596 763655707 /nfs/dbraw/zinc/65/57/07/763655707.db2.gz OCVGOXMVEHLWFZ-AWEZNQCLSA-N 1 1 341.419 0.371 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C2)CC1 ZINC001052040209 763660977 /nfs/dbraw/zinc/66/09/77/763660977.db2.gz BQZOKBGWFSEQDZ-CQSZACIVSA-N 1 1 340.431 0.976 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4[nH]ccc4c3)C2)CC1 ZINC001052040517 763662488 /nfs/dbraw/zinc/66/24/88/763662488.db2.gz BWJUPXINYDGDSI-QGZVFWFLSA-N 1 1 337.427 0.980 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C2)CC1 ZINC001052041084 763664962 /nfs/dbraw/zinc/66/49/62/763664962.db2.gz RNPKUIOKNRPXFX-CQSZACIVSA-N 1 1 331.420 0.274 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(CC)CCNC3=O)C2)CC1 ZINC001052041589 763668503 /nfs/dbraw/zinc/66/85/03/763668503.db2.gz MAEJINYGPCAOIQ-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(CC)CCNC3=O)C2)CC1 ZINC001052041589 763668507 /nfs/dbraw/zinc/66/85/07/763668507.db2.gz MAEJINYGPCAOIQ-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052044739 763679799 /nfs/dbraw/zinc/67/97/99/763679799.db2.gz LDGARJQHGXWWQH-ZWKOTPCHSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052044739 763679803 /nfs/dbraw/zinc/67/98/03/763679803.db2.gz LDGARJQHGXWWQH-ZWKOTPCHSA-N 1 1 332.492 0.713 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045726 763684146 /nfs/dbraw/zinc/68/41/46/763684146.db2.gz WWUHAYRYJVGPOX-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045726 763684153 /nfs/dbraw/zinc/68/41/53/763684153.db2.gz WWUHAYRYJVGPOX-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)CC1 ZINC001052047017 763688697 /nfs/dbraw/zinc/68/86/97/763688697.db2.gz GVZAMMNEURFBDY-OAHLLOKOSA-N 1 1 345.447 0.684 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(N(C)C)nc3)C2)CC1 ZINC001052047993 763693851 /nfs/dbraw/zinc/69/38/51/763693851.db2.gz ICGJYYHIKZVBTK-QGZVFWFLSA-N 1 1 341.459 0.613 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001054679566 768156463 /nfs/dbraw/zinc/15/64/63/768156463.db2.gz KFMDVBLRSZZURP-GXSJLCMTSA-N 1 1 326.832 0.925 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc(CC)nn3C)C2)CC1 ZINC001052056206 763727340 /nfs/dbraw/zinc/72/73/40/763727340.db2.gz TYSBUWSDIIJCFY-KRWDZBQOSA-N 1 1 345.491 0.930 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cc(CC)nn3C)C2)CC1 ZINC001052056206 763727344 /nfs/dbraw/zinc/72/73/44/763727344.db2.gz TYSBUWSDIIJCFY-KRWDZBQOSA-N 1 1 345.491 0.930 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001052057916 763733870 /nfs/dbraw/zinc/73/38/70/763733870.db2.gz VATTYWVGRIKCNP-SJORKVTESA-N 1 1 346.475 0.145 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCn3ccnc3)C2)CC1 ZINC001052059495 763737772 /nfs/dbraw/zinc/73/77/72/763737772.db2.gz JATZHXKLNYSNFI-KRWDZBQOSA-N 1 1 329.448 0.515 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C2)CC1 ZINC001052060024 763738100 /nfs/dbraw/zinc/73/81/00/763738100.db2.gz WKHJBJNISHNVSC-KRWDZBQOSA-N 1 1 345.491 0.984 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C2)CC1 ZINC001052060024 763738107 /nfs/dbraw/zinc/73/81/07/763738107.db2.gz WKHJBJNISHNVSC-KRWDZBQOSA-N 1 1 345.491 0.984 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3ncnn3C)CC2)C1 ZINC001052062233 763745866 /nfs/dbraw/zinc/74/58/66/763745866.db2.gz GYMCIHGZSIAHJD-OAHLLOKOSA-N 1 1 346.479 0.746 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)c3cncnc3)C2)CC1 ZINC001052070011 763766825 /nfs/dbraw/zinc/76/68/25/763766825.db2.gz ATANYZVGIQEMAH-RDJZCZTQSA-N 1 1 327.432 0.432 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081354 763797089 /nfs/dbraw/zinc/79/70/89/763797089.db2.gz AETWYRYKTIYURO-MSOLQXFVSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081354 763797096 /nfs/dbraw/zinc/79/70/96/763797096.db2.gz AETWYRYKTIYURO-MSOLQXFVSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCOCCC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]c(CC)n1 ZINC001124520930 763819351 /nfs/dbraw/zinc/81/93/51/763819351.db2.gz YIJPDANEQHEVAY-AWEZNQCLSA-N 1 1 334.420 0.619 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)CC1 ZINC001052091819 763832267 /nfs/dbraw/zinc/83/22/67/763832267.db2.gz MVPFYMIEBYAFJS-OKZBNKHCSA-N 1 1 339.443 0.927 20 30 ECEDMO Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052092275 763832930 /nfs/dbraw/zinc/83/29/30/763832930.db2.gz WMPXYTOWQOGEKH-YESZJQIVSA-N 1 1 342.447 0.266 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C2)CC1 ZINC001052092815 763835317 /nfs/dbraw/zinc/83/53/17/763835317.db2.gz FACWVLUKNRMKDV-HNNXBMFYSA-N 1 1 347.467 0.201 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C2)CC1 ZINC001052092815 763835320 /nfs/dbraw/zinc/83/53/20/763835320.db2.gz FACWVLUKNRMKDV-HNNXBMFYSA-N 1 1 347.467 0.201 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)COc3cccnc3)C2)CC1 ZINC001052098484 763852890 /nfs/dbraw/zinc/85/28/90/763852890.db2.gz KJSJQPAVMLNUTG-INIZCTEOSA-N 1 1 330.432 0.865 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)COc3cccnc3)C2)CC1 ZINC001052098484 763852895 /nfs/dbraw/zinc/85/28/95/763852895.db2.gz KJSJQPAVMLNUTG-INIZCTEOSA-N 1 1 330.432 0.865 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1Cl ZINC001106026326 763854272 /nfs/dbraw/zinc/85/42/72/763854272.db2.gz DLRMDCGTNNFFQC-GFCCVEGCSA-N 1 1 348.794 0.701 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNc1nc(C)ccc1C#N ZINC001106026548 763865699 /nfs/dbraw/zinc/86/56/99/763865699.db2.gz KKAPLTHCRNESIY-AWEZNQCLSA-N 1 1 328.376 0.356 20 30 ECEDMO CCn1cc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052106946 763883622 /nfs/dbraw/zinc/88/36/22/763883622.db2.gz XLXZIHLZGAIPED-MRXNPFEDSA-N 1 1 330.436 0.188 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C2)CC1 ZINC001052109184 763894579 /nfs/dbraw/zinc/89/45/79/763894579.db2.gz XXFQTEPAWSKIOC-HNNXBMFYSA-N 1 1 344.463 0.561 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)CC1 ZINC001052109909 763897760 /nfs/dbraw/zinc/89/77/60/763897760.db2.gz JUVJACLUKINWFV-IRXDYDNUSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)CC1 ZINC001052109909 763897769 /nfs/dbraw/zinc/89/77/69/763897769.db2.gz JUVJACLUKINWFV-IRXDYDNUSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113520 763912816 /nfs/dbraw/zinc/91/28/16/763912816.db2.gz XSNRZVUUTZCYPI-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3c(C)n[nH]c3C)C2)CC1 ZINC001052117688 763929649 /nfs/dbraw/zinc/92/96/49/763929649.db2.gz XFGSOYYWFRPWFO-QGZVFWFLSA-N 1 1 343.475 0.811 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3nccs3)C2)CC1 ZINC001052117952 763930292 /nfs/dbraw/zinc/93/02/92/763930292.db2.gz IMHAYDDIVAVTHW-CQSZACIVSA-N 1 1 333.461 0.818 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)CC1 ZINC001052118286 763931564 /nfs/dbraw/zinc/93/15/64/763931564.db2.gz BLTQKATUVKJXNE-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)CC1 ZINC001052118286 763931571 /nfs/dbraw/zinc/93/15/71/763931571.db2.gz BLTQKATUVKJXNE-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031980175 763943403 /nfs/dbraw/zinc/94/34/03/763943403.db2.gz VODPQVFTMXUUND-DLBZAZTESA-N 1 1 340.427 0.831 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2cnc(C#N)cn2)C1 ZINC001052131970 763963228 /nfs/dbraw/zinc/96/32/28/763963228.db2.gz HDQLYELJXUHMFZ-XUJLQICISA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2cnc(C#N)cn2)C1 ZINC001052131970 763963235 /nfs/dbraw/zinc/96/32/35/763963235.db2.gz HDQLYELJXUHMFZ-XUJLQICISA-N 1 1 338.415 0.753 20 30 ECEDMO CN(C(=O)Cc1ccon1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047325458 764003278 /nfs/dbraw/zinc/00/32/78/764003278.db2.gz CWHOEUYWUGOSOI-IRXDYDNUSA-N 1 1 340.383 0.792 20 30 ECEDMO CN(C(=O)Cc1ccon1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047325458 764003288 /nfs/dbraw/zinc/00/32/88/764003288.db2.gz CWHOEUYWUGOSOI-IRXDYDNUSA-N 1 1 340.383 0.792 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc[nH]c3C)C2)C1=O ZINC001047339318 764050034 /nfs/dbraw/zinc/05/00/34/764050034.db2.gz ORGWIYQGXWGUIF-PMPSAXMXSA-N 1 1 346.431 0.227 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc[nH]c3C)C2)C1=O ZINC001047339318 764050045 /nfs/dbraw/zinc/05/00/45/764050045.db2.gz ORGWIYQGXWGUIF-PMPSAXMXSA-N 1 1 346.431 0.227 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001089866439 764159530 /nfs/dbraw/zinc/15/95/30/764159530.db2.gz CJAUAPMWWYAWHV-CFAJVAMVSA-N 1 1 340.427 0.919 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCNc1ccnc(C#N)n1 ZINC001106361770 768195559 /nfs/dbraw/zinc/19/55/59/768195559.db2.gz IZEXCMGVSDGKEZ-KBPBESRZSA-N 1 1 330.436 0.951 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047386859 764183774 /nfs/dbraw/zinc/18/37/74/764183774.db2.gz AIIWSLSBJQMZIY-KKUMJFAQSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047386859 764183780 /nfs/dbraw/zinc/18/37/80/764183780.db2.gz AIIWSLSBJQMZIY-KKUMJFAQSA-N 1 1 337.464 0.713 20 30 ECEDMO CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001017615959 768196920 /nfs/dbraw/zinc/19/69/20/768196920.db2.gz BTNGVQLJIPFBPP-IXDOHACOSA-N 1 1 329.448 0.512 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001047397203 764210777 /nfs/dbraw/zinc/21/07/77/764210777.db2.gz OLXLJMKAVAACGC-JYJNAYRXSA-N 1 1 344.411 0.743 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001047397203 764210782 /nfs/dbraw/zinc/21/07/82/764210782.db2.gz OLXLJMKAVAACGC-JYJNAYRXSA-N 1 1 344.411 0.743 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)CC2)[nH]1 ZINC001052310091 764226890 /nfs/dbraw/zinc/22/68/90/764226890.db2.gz RZFWUCIHTZWHPF-CYBMUJFWSA-N 1 1 327.392 0.762 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)F)n2)C1 ZINC001047402132 764228252 /nfs/dbraw/zinc/22/82/52/764228252.db2.gz NVMPAAQDDJFBKA-STQMWFEESA-N 1 1 328.363 0.900 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052319861 764243491 /nfs/dbraw/zinc/24/34/91/764243491.db2.gz LDCCWXYCOFAPSP-GFCCVEGCSA-N 1 1 327.392 0.799 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052319861 764243493 /nfs/dbraw/zinc/24/34/93/764243493.db2.gz LDCCWXYCOFAPSP-GFCCVEGCSA-N 1 1 327.392 0.799 20 30 ECEDMO C=CCOCC(=O)NCC[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC001124778353 764243873 /nfs/dbraw/zinc/24/38/73/764243873.db2.gz NSURQMKXROMYSS-ZDUSSCGKSA-N 1 1 330.392 0.632 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001047408064 764252440 /nfs/dbraw/zinc/25/24/40/764252440.db2.gz SIEBXCFDLHYMSS-KBPBESRZSA-N 1 1 348.447 0.678 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(CC)noc2CC)C1 ZINC001047413138 764266749 /nfs/dbraw/zinc/26/67/49/764266749.db2.gz YBIBHTUTAYFWOC-HOTGVXAUSA-N 1 1 333.432 0.869 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(CC)noc2CC)C1 ZINC001047413138 764266753 /nfs/dbraw/zinc/26/67/53/764266753.db2.gz YBIBHTUTAYFWOC-HOTGVXAUSA-N 1 1 333.432 0.869 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000995271558 764280321 /nfs/dbraw/zinc/28/03/21/764280321.db2.gz GTHLCFQQLAQKLU-HOTGVXAUSA-N 1 1 341.415 0.047 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccc(OC)nn3)C2)nn1 ZINC001098762885 764293833 /nfs/dbraw/zinc/29/38/33/764293833.db2.gz RDUHZMTVKYTSGF-ZDUSSCGKSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001060395195 764295427 /nfs/dbraw/zinc/29/54/27/764295427.db2.gz UZDWAXFOEHNFDL-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)C1 ZINC001106068758 764296529 /nfs/dbraw/zinc/29/65/29/764296529.db2.gz HOOGMUTXTTVFKD-DZGCQCFKSA-N 1 1 346.435 0.359 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001083778563 764298695 /nfs/dbraw/zinc/29/86/95/764298695.db2.gz QEIADSZDCONUKM-QGTPRVQTSA-N 1 1 342.443 0.704 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNc2nccnc2C#N)C1 ZINC001106069544 764302659 /nfs/dbraw/zinc/30/26/59/764302659.db2.gz UGYMPZUYCYTGJM-KBPBESRZSA-N 1 1 346.435 0.359 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001098763234 764333060 /nfs/dbraw/zinc/33/30/60/764333060.db2.gz VPPKBWZGFWJOAZ-MRXNPFEDSA-N 1 1 332.452 0.506 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001098763234 764333065 /nfs/dbraw/zinc/33/30/65/764333065.db2.gz VPPKBWZGFWJOAZ-MRXNPFEDSA-N 1 1 332.452 0.506 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001077478688 764346433 /nfs/dbraw/zinc/34/64/33/764346433.db2.gz NBENZNWARZELPK-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001077478688 764346434 /nfs/dbraw/zinc/34/64/34/764346434.db2.gz NBENZNWARZELPK-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001077478829 764352529 /nfs/dbraw/zinc/35/25/29/764352529.db2.gz PTRAVPCGTGIYTP-HUUCEWRRSA-N 1 1 342.403 0.403 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001047442922 764361031 /nfs/dbraw/zinc/36/10/31/764361031.db2.gz MVRDWPXSZUEBPN-RYUDHWBXSA-N 1 1 344.337 0.579 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001047444792 764366677 /nfs/dbraw/zinc/36/66/77/764366677.db2.gz JEMMTJMDMNFIMU-KBPBESRZSA-N 1 1 338.839 0.451 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccnc(C)c3)C2)C1=O ZINC001032064557 764396963 /nfs/dbraw/zinc/39/69/63/764396963.db2.gz VLDQPEKHYZSYNB-MRXNPFEDSA-N 1 1 328.416 0.839 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)F)nn2C)C1 ZINC001047457699 764403831 /nfs/dbraw/zinc/40/38/31/764403831.db2.gz JVCMOJYNYLYNEZ-STQMWFEESA-N 1 1 326.347 0.498 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)F)nn2C)C1 ZINC001047457699 764403834 /nfs/dbraw/zinc/40/38/34/764403834.db2.gz JVCMOJYNYLYNEZ-STQMWFEESA-N 1 1 326.347 0.498 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncc3cccnc32)C1 ZINC001047460022 764412170 /nfs/dbraw/zinc/41/21/70/764412170.db2.gz OPRBAIRQDSVUBX-HOTGVXAUSA-N 1 1 343.431 0.901 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(Br)c2)C1 ZINC001047460524 764413566 /nfs/dbraw/zinc/41/35/66/764413566.db2.gz JMQLYVKQPRIMOO-RYUDHWBXSA-N 1 1 340.221 0.918 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(Br)c2)C1 ZINC001047460524 764413570 /nfs/dbraw/zinc/41/35/70/764413570.db2.gz JMQLYVKQPRIMOO-RYUDHWBXSA-N 1 1 340.221 0.918 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001047463188 764419600 /nfs/dbraw/zinc/41/96/00/764419600.db2.gz XCTUUPGONDHNGV-KKUMJFAQSA-N 1 1 333.436 0.310 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015356639 764428496 /nfs/dbraw/zinc/42/84/96/764428496.db2.gz MHYUDZKLJCHOSI-BBWFWOEESA-N 1 1 335.448 0.080 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CCCC)C1 ZINC001047473262 764443078 /nfs/dbraw/zinc/44/30/78/764443078.db2.gz PQGGPQFZJPDVPB-XHSDSOJGSA-N 1 1 325.453 0.177 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CCCC)C1 ZINC001047473262 764443080 /nfs/dbraw/zinc/44/30/80/764443080.db2.gz PQGGPQFZJPDVPB-XHSDSOJGSA-N 1 1 325.453 0.177 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3nc(C)oc3C)C2)C1=O ZINC001032070062 764448190 /nfs/dbraw/zinc/44/81/90/764448190.db2.gz JREDMAQFLWQWFR-CQSZACIVSA-N 1 1 332.404 0.740 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001047478940 764462759 /nfs/dbraw/zinc/46/27/59/764462759.db2.gz DCFHNDFYUCJSDW-IRXDYDNUSA-N 1 1 331.416 0.972 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001047478940 764462766 /nfs/dbraw/zinc/46/27/66/764462766.db2.gz DCFHNDFYUCJSDW-IRXDYDNUSA-N 1 1 331.416 0.972 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001047479121 764464533 /nfs/dbraw/zinc/46/45/33/764464533.db2.gz AQGGUALTSUDWRX-HOTGVXAUSA-N 1 1 341.415 0.351 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001047479417 764466249 /nfs/dbraw/zinc/46/62/49/764466249.db2.gz QOJOBSDOCUFNAT-IRXDYDNUSA-N 1 1 329.400 0.420 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001047479417 764466252 /nfs/dbraw/zinc/46/62/52/764466252.db2.gz QOJOBSDOCUFNAT-IRXDYDNUSA-N 1 1 329.400 0.420 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001047479443 764466256 /nfs/dbraw/zinc/46/62/56/764466256.db2.gz MIBFHVIWIGOJCP-KBPBESRZSA-N 1 1 346.431 0.754 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CNC(=O)C1 ZINC001015374650 764470666 /nfs/dbraw/zinc/47/06/66/764470666.db2.gz DPCCVRZWDPOJTJ-MAUKXSAKSA-N 1 1 326.400 0.775 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001052428545 764474044 /nfs/dbraw/zinc/47/40/44/764474044.db2.gz ISCSACYXWYRKTG-CQSZACIVSA-N 1 1 329.466 0.569 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001052428417 764474130 /nfs/dbraw/zinc/47/41/30/764474130.db2.gz IDGRDGNIFUSXOW-AWEZNQCLSA-N 1 1 334.420 0.094 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccccc2C(N)=O)C1 ZINC001047482261 764478765 /nfs/dbraw/zinc/47/87/65/764478765.db2.gz QULXYDXWKLLJJK-IRXDYDNUSA-N 1 1 345.443 0.798 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503356 764532583 /nfs/dbraw/zinc/53/25/83/764532583.db2.gz ACKRLLLGLIFQOO-IHRRRGAJSA-N 1 1 347.381 0.397 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503356 764532592 /nfs/dbraw/zinc/53/25/92/764532592.db2.gz ACKRLLLGLIFQOO-IHRRRGAJSA-N 1 1 347.381 0.397 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001047504655 764538259 /nfs/dbraw/zinc/53/82/59/764538259.db2.gz QHZAAHJUUFYECQ-KKUMJFAQSA-N 1 1 343.418 0.490 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)CNC(N)=O)c1ccccc1O2 ZINC001111528889 764547244 /nfs/dbraw/zinc/54/72/44/764547244.db2.gz ANZJDIQYRZAABB-RDTXWAMCSA-N 1 1 342.399 0.372 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]2O)C1 ZINC001083780738 764547694 /nfs/dbraw/zinc/54/76/94/764547694.db2.gz IIWSZUDKPMPOSM-WQVCFCJDSA-N 1 1 348.472 0.623 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cncn3)c2)C1 ZINC001047521180 764579122 /nfs/dbraw/zinc/57/91/22/764579122.db2.gz NHSIFBQYYKMDBC-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cncn3)c2)C1 ZINC001047521180 764579126 /nfs/dbraw/zinc/57/91/26/764579126.db2.gz NHSIFBQYYKMDBC-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)c1 ZINC001047521232 764579440 /nfs/dbraw/zinc/57/94/40/764579440.db2.gz OGUVZTDKQHNMIQ-NJAFHUGGSA-N 1 1 343.427 0.607 20 30 ECEDMO C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047528631 764603543 /nfs/dbraw/zinc/60/35/43/764603543.db2.gz VEEIBTPQLPMZBV-ZQIUZPCESA-N 1 1 327.444 0.888 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1CCOCC1 ZINC001089875558 764609971 /nfs/dbraw/zinc/60/99/71/764609971.db2.gz MVZULCVRFMFPMR-RDGPPVDQSA-N 1 1 345.487 0.901 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnnn1 ZINC001089880836 764638721 /nfs/dbraw/zinc/63/87/21/764638721.db2.gz OHABUYACBQPHRM-FZKCQIBNSA-N 1 1 328.420 0.255 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCCC(N)=O)C2)nn1 ZINC001098768338 764652145 /nfs/dbraw/zinc/65/21/45/764652145.db2.gz SJADPVIEHBZPHJ-AWEZNQCLSA-N 1 1 334.424 0.373 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCCC(N)=O)C2)nn1 ZINC001098768340 764652347 /nfs/dbraw/zinc/65/23/47/764652347.db2.gz SJADPVIEHBZPHJ-CQSZACIVSA-N 1 1 334.424 0.373 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nn(C)c2OC)C1 ZINC001047552601 764670813 /nfs/dbraw/zinc/67/08/13/764670813.db2.gz MTHLRTONNTXIRA-KBPBESRZSA-N 1 1 336.436 0.820 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2O)nn1 ZINC001047554446 764680655 /nfs/dbraw/zinc/68/06/55/764680655.db2.gz WBOXAZCPQPZLAT-RYUDHWBXSA-N 1 1 347.341 0.534 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2O)nn1 ZINC001047554446 764680660 /nfs/dbraw/zinc/68/06/60/764680660.db2.gz WBOXAZCPQPZLAT-RYUDHWBXSA-N 1 1 347.341 0.534 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(C(C)(C)C)c2=O)C1 ZINC001047557495 764687592 /nfs/dbraw/zinc/68/75/92/764687592.db2.gz ZFLQGBHHWTUARB-GJZGRUSLSA-N 1 1 333.432 0.906 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCCN2C(C)=O)C1 ZINC001047558073 764689125 /nfs/dbraw/zinc/68/91/25/764689125.db2.gz UOUHDQMDILVMAS-ULQDDVLXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(=O)N(C)C ZINC001099074324 764689595 /nfs/dbraw/zinc/68/95/95/764689595.db2.gz KIIMIFSXZRLYGD-HNNXBMFYSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=O)N(C)C ZINC001099074324 764689603 /nfs/dbraw/zinc/68/96/03/764689603.db2.gz KIIMIFSXZRLYGD-HNNXBMFYSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCOCCO ZINC001099074699 764697282 /nfs/dbraw/zinc/69/72/82/764697282.db2.gz PWWLOHDYTFASAC-HZPDHXFCSA-N 1 1 340.464 0.640 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc(OC)nn2)C1 ZINC001089886019 764698051 /nfs/dbraw/zinc/69/80/51/764698051.db2.gz LNOKANCAVCSTGQ-YXWQFLTLSA-N 1 1 326.400 0.901 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001047565566 764706487 /nfs/dbraw/zinc/70/64/87/764706487.db2.gz KWDGKFZWGCVNOY-HOTGVXAUSA-N 1 1 325.372 0.018 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001047565566 764706496 /nfs/dbraw/zinc/70/64/96/764706496.db2.gz KWDGKFZWGCVNOY-HOTGVXAUSA-N 1 1 325.372 0.018 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001047566947 764711761 /nfs/dbraw/zinc/71/17/61/764711761.db2.gz WFHDNYKUUQRFJC-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001047572255 764732700 /nfs/dbraw/zinc/73/27/00/764732700.db2.gz KUYZETLCMSOCBU-IKGGRYGDSA-N 1 1 343.427 0.941 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001060409104 764753328 /nfs/dbraw/zinc/75/33/28/764753328.db2.gz UQHNUBGLIZHNLQ-DLBZAZTESA-N 1 1 349.475 0.723 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001052563294 764766960 /nfs/dbraw/zinc/76/69/60/764766960.db2.gz NWKLETNYJAMHGZ-HNNXBMFYSA-N 1 1 343.493 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)CC1 ZINC001052569020 764775421 /nfs/dbraw/zinc/77/54/21/764775421.db2.gz TWKILVVMAKIBSK-CQSZACIVSA-N 1 1 326.404 0.971 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1C[NH+]([C@H](CC)C(N)=O)C1 ZINC001032136372 764786967 /nfs/dbraw/zinc/78/69/67/764786967.db2.gz NOHAFVABWVELDP-CQSZACIVSA-N 1 1 330.388 0.019 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001052585277 764799348 /nfs/dbraw/zinc/79/93/48/764799348.db2.gz ZQHSPYURUGTJCZ-HIFRSBDPSA-N 1 1 331.420 0.912 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001052590322 764810821 /nfs/dbraw/zinc/81/08/21/764810821.db2.gz YERKUGAEALEIEY-CQSZACIVSA-N 1 1 339.403 0.665 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001052598822 764827221 /nfs/dbraw/zinc/82/72/21/764827221.db2.gz JLXFZLGZMOZGLS-GOEBONIOSA-N 1 1 346.431 0.442 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)cn1 ZINC001047599250 764836951 /nfs/dbraw/zinc/83/69/51/764836951.db2.gz NLZBPXYALOVWMU-COXVUDFISA-N 1 1 329.400 0.217 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001052608260 764840953 /nfs/dbraw/zinc/84/09/53/764840953.db2.gz GCTJMHAUYJHCCL-GFCCVEGCSA-N 1 1 330.396 0.464 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC001052607793 764841556 /nfs/dbraw/zinc/84/15/56/764841556.db2.gz SSOZEBFWYZAZGN-AWEZNQCLSA-N 1 1 329.404 0.653 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](C)C1 ZINC000944030679 764846373 /nfs/dbraw/zinc/84/63/73/764846373.db2.gz AAKCBBBOVKLQRA-GJZGRUSLSA-N 1 1 345.447 0.231 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001015514376 764852051 /nfs/dbraw/zinc/85/20/51/764852051.db2.gz QEQWSPYVLUTYTJ-JKSUJKDBSA-N 1 1 326.400 0.252 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001015514376 764852060 /nfs/dbraw/zinc/85/20/60/764852060.db2.gz QEQWSPYVLUTYTJ-JKSUJKDBSA-N 1 1 326.400 0.252 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)[C@H]1C[N@@H+]([C@H](C)COC)C[C@@H]1O ZINC001047610178 764872571 /nfs/dbraw/zinc/87/25/71/764872571.db2.gz RCZZPYANQDAFDO-JLSDUUJJSA-N 1 1 330.428 0.749 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC001047619134 764899312 /nfs/dbraw/zinc/89/93/12/764899312.db2.gz CMNNZIFFPVHBLV-RYUDHWBXSA-N 1 1 346.353 0.982 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(N)=O)c2)C1 ZINC001047624303 764911792 /nfs/dbraw/zinc/91/17/92/764911792.db2.gz KKMAJDKULSCPLN-GJZGRUSLSA-N 1 1 332.404 0.870 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)c1 ZINC001052697842 765004615 /nfs/dbraw/zinc/00/46/15/765004615.db2.gz BSGGQUQTARDUAK-HOTGVXAUSA-N 1 1 328.416 0.911 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001015634770 765108326 /nfs/dbraw/zinc/10/83/26/765108326.db2.gz NRKDSICQTSWXBX-CABCVRRESA-N 1 1 346.818 0.563 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001015634770 765108330 /nfs/dbraw/zinc/10/83/30/765108330.db2.gz NRKDSICQTSWXBX-CABCVRRESA-N 1 1 346.818 0.563 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000992007142 765127739 /nfs/dbraw/zinc/12/77/39/765127739.db2.gz ADRBMLPRYSJCTC-LDZOIKDWSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001015659675 765135215 /nfs/dbraw/zinc/13/52/15/765135215.db2.gz HPFOEPXKRQPMJO-AWEZNQCLSA-N 1 1 334.420 0.475 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)c[nH]1 ZINC000992010815 765147890 /nfs/dbraw/zinc/14/78/90/765147890.db2.gz POLOVVYOEQIWOV-CVEARBPZSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cc3C)C2)C1=O ZINC001015681157 765153497 /nfs/dbraw/zinc/15/34/97/765153497.db2.gz OXQDUEFJNZFCGU-ZFWWWQNUSA-N 1 1 344.415 0.687 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cc3C)C2)C1=O ZINC001015681157 765153502 /nfs/dbraw/zinc/15/35/02/765153502.db2.gz OXQDUEFJNZFCGU-ZFWWWQNUSA-N 1 1 344.415 0.687 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CCNC1=O ZINC001015694701 765173922 /nfs/dbraw/zinc/17/39/22/765173922.db2.gz BCVHJDYLHVPSLZ-MAUKXSAKSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001052816373 765175389 /nfs/dbraw/zinc/17/53/89/765175389.db2.gz BFTBRNJKVROYEJ-NFAWXSAZSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CCNC1=O ZINC001015695518 765176909 /nfs/dbraw/zinc/17/69/09/765176909.db2.gz LLBXBULPWLZOPU-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CCNC1=O ZINC001015695518 765176914 /nfs/dbraw/zinc/17/69/14/765176914.db2.gz LLBXBULPWLZOPU-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001052825318 765185818 /nfs/dbraw/zinc/18/58/18/765185818.db2.gz ZRZJGPUQWZDXBQ-BMFZPTHFSA-N 1 1 343.431 0.472 20 30 ECEDMO C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001052825318 765185820 /nfs/dbraw/zinc/18/58/20/765185820.db2.gz ZRZJGPUQWZDXBQ-BMFZPTHFSA-N 1 1 343.431 0.472 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000992037917 765238488 /nfs/dbraw/zinc/23/84/88/765238488.db2.gz FABOSHABONGPNO-ABIUDSBCSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)C1=O ZINC001015745422 765261471 /nfs/dbraw/zinc/26/14/71/765261471.db2.gz YJRUYELSSJYYFN-BBRMVZONSA-N 1 1 343.431 0.878 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)C1=O ZINC001015745422 765261477 /nfs/dbraw/zinc/26/14/77/765261477.db2.gz YJRUYELSSJYYFN-BBRMVZONSA-N 1 1 343.431 0.878 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000992044731 765265072 /nfs/dbraw/zinc/26/50/72/765265072.db2.gz KTZJNZXEYZMBAD-DNOWBOINSA-N 1 1 343.431 0.853 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(CCC)c3)C2)C1=O ZINC001015779051 765304883 /nfs/dbraw/zinc/30/48/83/765304883.db2.gz ZNQGITGUSLCWJU-JKSUJKDBSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CCC)c3)C2)C1=O ZINC001015779051 765304890 /nfs/dbraw/zinc/30/48/90/765304890.db2.gz ZNQGITGUSLCWJU-JKSUJKDBSA-N 1 1 345.447 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001052904989 765324811 /nfs/dbraw/zinc/32/48/11/765324811.db2.gz BSUWPKVRVPVUTJ-OAHLLOKOSA-N 1 1 335.452 0.827 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C2)nn1 ZINC001015810760 765370188 /nfs/dbraw/zinc/37/01/88/765370188.db2.gz QMJOGQMQEYAPAR-ZFWWWQNUSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C2)nn1 ZINC001015810760 765370193 /nfs/dbraw/zinc/37/01/93/765370193.db2.gz QMJOGQMQEYAPAR-ZFWWWQNUSA-N 1 1 346.435 0.278 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000992071261 765371453 /nfs/dbraw/zinc/37/14/53/765371453.db2.gz MDSPVHMMZSVUBO-IMJJTQAJSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001015821312 765383421 /nfs/dbraw/zinc/38/34/21/765383421.db2.gz TUYXTVFZTVHMFT-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001015821312 765383427 /nfs/dbraw/zinc/38/34/27/765383427.db2.gz TUYXTVFZTVHMFT-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000992091974 765437861 /nfs/dbraw/zinc/43/78/61/765437861.db2.gz STRUZESAODAULQ-MLGOLLRUSA-N 1 1 326.400 0.344 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C3(C)CCOCC3)C2)C1=O ZINC001015854846 765446345 /nfs/dbraw/zinc/44/63/45/765446345.db2.gz HJZTZSWLSJURHA-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C3(C)CCOCC3)C2)C1=O ZINC001015854846 765446351 /nfs/dbraw/zinc/44/63/51/765446351.db2.gz HJZTZSWLSJURHA-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1cc(NCCOCCN(C)C(=O)[C@H]2CCC[N@H+]2C)c(C#N)cn1 ZINC001127232734 765461434 /nfs/dbraw/zinc/46/14/34/765461434.db2.gz HYZDMBUXPNXBRJ-QGZVFWFLSA-N 1 1 345.447 0.665 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3nnc[nH]3)C2)cc1 ZINC001015871798 765473581 /nfs/dbraw/zinc/47/35/81/765473581.db2.gz SPBLORMWKUXFJJ-ZDUSSCGKSA-N 1 1 326.360 0.711 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001053036309 765512015 /nfs/dbraw/zinc/51/20/15/765512015.db2.gz JZLYESQIEXWRPG-IRXDYDNUSA-N 1 1 348.491 0.555 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC001053051494 765529444 /nfs/dbraw/zinc/52/94/44/765529444.db2.gz NFSNZDVVULCZAV-HOTGVXAUSA-N 1 1 342.443 0.978 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN2CN=NC2=O)C1 ZINC001053074086 765547524 /nfs/dbraw/zinc/54/75/24/765547524.db2.gz AJJXIBNYBPDYNQ-CABCVRRESA-N 1 1 331.420 0.710 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001053093661 765569744 /nfs/dbraw/zinc/56/97/44/765569744.db2.gz PGVQBYZSUDSJNZ-SJORKVTESA-N 1 1 346.475 0.145 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C(=O)N3)CCC[C@H]12 ZINC000992125788 765576510 /nfs/dbraw/zinc/57/65/10/765576510.db2.gz DOMHEESMYYUASL-TYNCELHUSA-N 1 1 326.828 0.876 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C(=O)N3)CCC[C@H]12 ZINC000992125788 765576514 /nfs/dbraw/zinc/57/65/14/765576514.db2.gz DOMHEESMYYUASL-TYNCELHUSA-N 1 1 326.828 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001053100451 765577383 /nfs/dbraw/zinc/57/73/83/765577383.db2.gz HBUKMXDIFMJWCG-GDBMZVCRSA-N 1 1 345.443 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001053102142 765579590 /nfs/dbraw/zinc/57/95/90/765579590.db2.gz REZDOEGEGFFBFM-GJZGRUSLSA-N 1 1 346.431 0.265 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001053103001 765580256 /nfs/dbraw/zinc/58/02/56/765580256.db2.gz YSPWHTGCJLWYRW-HUUCEWRRSA-N 1 1 348.447 0.817 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)cn1 ZINC001016015840 765721707 /nfs/dbraw/zinc/72/17/07/765721707.db2.gz HYYDLLZGWPZNAK-MRXNPFEDSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)cn1 ZINC001016016889 765724666 /nfs/dbraw/zinc/72/46/66/765724666.db2.gz OWIBUJZPFCBNDV-OAHLLOKOSA-N 1 1 340.383 0.016 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)cn1 ZINC001016016889 765724670 /nfs/dbraw/zinc/72/46/70/765724670.db2.gz OWIBUJZPFCBNDV-OAHLLOKOSA-N 1 1 340.383 0.016 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)nc1 ZINC001016024943 765729240 /nfs/dbraw/zinc/72/92/40/765729240.db2.gz TVQQSHNTDABJCO-MRXNPFEDSA-N 1 1 336.395 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001016025837 765730084 /nfs/dbraw/zinc/73/00/84/765730084.db2.gz BPOPJDLBRHDGJB-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001016025837 765730086 /nfs/dbraw/zinc/73/00/86/765730086.db2.gz BPOPJDLBRHDGJB-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)nc1 ZINC001016027212 765730963 /nfs/dbraw/zinc/73/09/63/765730963.db2.gz NOKVVGTXAFYROH-CVEARBPZSA-N 1 1 339.399 0.125 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993172456 768319239 /nfs/dbraw/zinc/31/92/39/768319239.db2.gz RQIJPFTWPPHBAI-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993172456 768319248 /nfs/dbraw/zinc/31/92/48/768319248.db2.gz RQIJPFTWPPHBAI-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCOC3(C[NH+](CC[C@H]4CCOC4)C3)C2)c1 ZINC001053208310 765765752 /nfs/dbraw/zinc/76/57/52/765765752.db2.gz HPYZKSQLYLOONT-AWEZNQCLSA-N 1 1 344.415 0.840 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12 ZINC000992178192 765777626 /nfs/dbraw/zinc/77/76/26/765777626.db2.gz ZFIFUUJFOIOJEE-YYAJDYIMSA-N 1 1 347.459 0.759 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)N(C)C)CC3)c1 ZINC000992178761 765785990 /nfs/dbraw/zinc/78/59/90/765785990.db2.gz OQQVAWZSTCLNKY-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO N#Cc1cc(C(=O)N2CCOC3(C[NH+](CC4CCOCC4)C3)C2)c[nH]1 ZINC001053227146 765794957 /nfs/dbraw/zinc/79/49/57/765794957.db2.gz PSPFCLNUSJPBIB-UHFFFAOYSA-N 1 1 344.415 0.840 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001099125509 765806287 /nfs/dbraw/zinc/80/62/87/765806287.db2.gz HCWVKKAIUTYZGQ-AWEZNQCLSA-N 1 1 338.452 0.032 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC[C@H](O)CNc2ncccc2C#N)C1 ZINC001106108398 765850666 /nfs/dbraw/zinc/85/06/66/765850666.db2.gz HWWCUAVIAKZINY-AWEZNQCLSA-N 1 1 331.420 0.574 20 30 ECEDMO C=CCCN1CC2(C1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263775 765866531 /nfs/dbraw/zinc/86/65/31/765866531.db2.gz YKJXZFLRRZPZQL-HZPDHXFCSA-N 1 1 335.448 0.339 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccnn2C)C1 ZINC000992206533 765895723 /nfs/dbraw/zinc/89/57/23/765895723.db2.gz JHGXFYBRQIRTOC-XUJLQICISA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccnn2C)C1 ZINC000992206533 765895726 /nfs/dbraw/zinc/89/57/26/765895726.db2.gz JHGXFYBRQIRTOC-XUJLQICISA-N 1 1 343.431 0.142 20 30 ECEDMO C=C(Br)CN1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030837937 765947568 /nfs/dbraw/zinc/94/75/68/765947568.db2.gz WRXCPQJZWODPRU-CYBMUJFWSA-N 1 1 346.269 0.805 20 30 ECEDMO C=C(Br)CN1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030837937 765947574 /nfs/dbraw/zinc/94/75/74/765947574.db2.gz WRXCPQJZWODPRU-CYBMUJFWSA-N 1 1 346.269 0.805 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001030845088 766010678 /nfs/dbraw/zinc/01/06/78/766010678.db2.gz WHXSGKDCAFXAMX-DZKIICNBSA-N 1 1 334.464 0.304 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cncnc3CC)C2)C1=O ZINC001016273736 766019015 /nfs/dbraw/zinc/01/90/15/766019015.db2.gz BCYODVAIKNGITL-BBRMVZONSA-N 1 1 343.431 0.630 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cncnc3CC)C2)C1=O ZINC001016273736 766019021 /nfs/dbraw/zinc/01/90/21/766019021.db2.gz BCYODVAIKNGITL-BBRMVZONSA-N 1 1 343.431 0.630 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)c1cc(C[NH+]3CCCC3)on1)CCO2 ZINC001053425825 766112057 /nfs/dbraw/zinc/11/20/57/766112057.db2.gz GPGZIAUQRPZEIQ-UHFFFAOYSA-N 1 1 344.415 0.430 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 ZINC001053429508 766119950 /nfs/dbraw/zinc/11/99/50/766119950.db2.gz QZNCDWJBYHGCIT-KRWDZBQOSA-N 1 1 338.427 0.636 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1CC(F)F ZINC001017769080 768356270 /nfs/dbraw/zinc/35/62/70/768356270.db2.gz NSUNEJOAFKPWFX-ZNMIVQPWSA-N 1 1 341.402 0.651 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cncn3)nc2)[C@@H](O)C1 ZINC001083685848 766190867 /nfs/dbraw/zinc/19/08/67/766190867.db2.gz PTRAVPCGTGIYTP-CABCVRRESA-N 1 1 342.403 0.403 20 30 ECEDMO C=C(C)CCN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CCO2 ZINC001053537373 766300466 /nfs/dbraw/zinc/30/04/66/766300466.db2.gz CMSKCRBLURAGLU-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CCN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CCO2 ZINC001053537373 766300472 /nfs/dbraw/zinc/30/04/72/766300472.db2.gz CMSKCRBLURAGLU-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001112332659 766310173 /nfs/dbraw/zinc/31/01/73/766310173.db2.gz ZTLRIOXZIMBWFW-OLZOCXBDSA-N 1 1 330.436 0.759 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@@H]12 ZINC000992343646 766332400 /nfs/dbraw/zinc/33/24/00/766332400.db2.gz PORSFUQEMJDEDF-JJZFQXHVSA-N 1 1 346.431 0.664 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250646 766410174 /nfs/dbraw/zinc/41/01/74/766410174.db2.gz DMVMXXRCIUWLNW-BRWVUGGUSA-N 1 1 336.432 0.411 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn3c1OCCC3)O2 ZINC001053624145 766462927 /nfs/dbraw/zinc/46/29/27/766462927.db2.gz KPNBFGNEACZICS-AWEZNQCLSA-N 1 1 344.415 0.652 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3[C@@H](C)C(N)=O)CC1 ZINC001045895608 766478149 /nfs/dbraw/zinc/47/81/49/766478149.db2.gz LBNMXZBGNXUVPM-UAGQMJEPSA-N 1 1 346.475 0.271 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn3nnnc3c1)O2 ZINC001053635600 766488028 /nfs/dbraw/zinc/48/80/28/766488028.db2.gz HWBCQAJDBMONBD-AWEZNQCLSA-N 1 1 340.387 0.111 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@H](C)C(=O)NC)CC3)cn1 ZINC000992409429 766509873 /nfs/dbraw/zinc/50/98/73/766509873.db2.gz MTHYZOGASAWZGK-AZOIQLNYSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649514 766511203 /nfs/dbraw/zinc/51/12/03/766511203.db2.gz OBEBNCHXRLNDFV-DLBZAZTESA-N 1 1 349.475 0.469 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)S(C)(=O)=O)C2 ZINC001045948025 766518800 /nfs/dbraw/zinc/51/88/00/766518800.db2.gz SQWBVEXHOBUKAS-HOCLYGCPSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)S(C)(=O)=O)C2 ZINC001045948025 766518803 /nfs/dbraw/zinc/51/88/03/766518803.db2.gz SQWBVEXHOBUKAS-HOCLYGCPSA-N 1 1 326.462 0.757 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)ncn3C)[C@@H](O)C1 ZINC001083695291 766519402 /nfs/dbraw/zinc/51/94/02/766519402.db2.gz SKMHSDVYNSOZHI-CABCVRRESA-N 1 1 329.404 0.709 20 30 ECEDMO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)O2 ZINC001053654610 766520250 /nfs/dbraw/zinc/52/02/50/766520250.db2.gz RBSZZWGUZNIRKL-WBVHZDCISA-N 1 1 342.443 0.737 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccoc1CC(N)=O)O2 ZINC001053654816 766522218 /nfs/dbraw/zinc/52/22/18/766522218.db2.gz WZMIFLWKFDXZNG-ZDUSSCGKSA-N 1 1 345.399 0.294 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001045953842 766523915 /nfs/dbraw/zinc/52/39/15/766523915.db2.gz KXSFVLOVPOAMFM-GOSISDBHSA-N 1 1 347.463 0.863 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C(=O)NC)nc3)CCC[C@H]12 ZINC000992414458 766525889 /nfs/dbraw/zinc/52/58/89/766525889.db2.gz XFSCFQYMJQFCBH-MAUKXSAKSA-N 1 1 326.400 0.801 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)O2 ZINC001053660313 766531407 /nfs/dbraw/zinc/53/14/07/766531407.db2.gz JJMVXUWENYMSHP-GFCCVEGCSA-N 1 1 330.388 0.100 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001045968609 766538308 /nfs/dbraw/zinc/53/83/08/766538308.db2.gz DMRADGBAFNGWEN-KSSFIOAISA-N 1 1 348.447 0.865 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001045968608 766538587 /nfs/dbraw/zinc/53/85/87/766538587.db2.gz DMRADGBAFNGWEN-KBXCAEBGSA-N 1 1 348.447 0.865 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001045968898 766540174 /nfs/dbraw/zinc/54/01/74/766540174.db2.gz JBXJAEXSIXNHCM-KSSFIOAISA-N 1 1 348.447 0.865 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001053675467 766558326 /nfs/dbraw/zinc/55/83/26/766558326.db2.gz NXBOSYANHQHUTR-JYJNAYRXSA-N 1 1 338.448 0.700 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001045988096 766560487 /nfs/dbraw/zinc/56/04/87/766560487.db2.gz IMJLQFGPZCFPIM-KXBFYZLASA-N 1 1 345.443 0.767 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc3ncccn3n1)O2 ZINC001053677820 766562693 /nfs/dbraw/zinc/56/26/93/766562693.db2.gz KAUVVIQJOANPOJ-CYBMUJFWSA-N 1 1 340.387 0.111 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001045988595 766563569 /nfs/dbraw/zinc/56/35/69/766563569.db2.gz RSANGDLAEPDWFM-BEFAXECRSA-N 1 1 345.443 0.767 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1conc1COC)O2 ZINC001053687816 766591772 /nfs/dbraw/zinc/59/17/72/766591772.db2.gz ZTOIVFBJHRFWRY-CYBMUJFWSA-N 1 1 333.388 0.808 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCN(C(=O)CC)C1)O2 ZINC001053689045 766594768 /nfs/dbraw/zinc/59/47/68/766594768.db2.gz ZZFCWSDRJWAQDZ-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3C)CC2)C1 ZINC001046003840 766609117 /nfs/dbraw/zinc/60/91/17/766609117.db2.gz LKQMTUYJURJMCM-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3cccn3)CC2)C1 ZINC001046006457 766615239 /nfs/dbraw/zinc/61/52/39/766615239.db2.gz LUSBESBZXVJPIK-QGZVFWFLSA-N 1 1 329.448 0.515 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C(C)=O)CCO3)CCC[C@@H]12 ZINC000992458755 766623666 /nfs/dbraw/zinc/62/36/66/766623666.db2.gz USHNVCMEKVVDMS-LZLYRXPVSA-N 1 1 333.432 0.370 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001046012350 766639137 /nfs/dbraw/zinc/63/91/37/766639137.db2.gz OCIIPBZPQVZOSS-RDJZCZTQSA-N 1 1 327.432 0.960 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3nccnc3N)CC2)C1 ZINC001046014235 766646413 /nfs/dbraw/zinc/64/64/13/766646413.db2.gz SACAKFAJOZNNDW-OAHLLOKOSA-N 1 1 344.463 0.857 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC001046020055 766662023 /nfs/dbraw/zinc/66/20/23/766662023.db2.gz MHWLXNHVCRLWAT-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1OC ZINC001212262136 766668227 /nfs/dbraw/zinc/66/82/27/766668227.db2.gz DDRBRVNMBJRDKW-IAGOWNOFSA-N 1 1 331.416 0.745 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1OC ZINC001212262136 766668234 /nfs/dbraw/zinc/66/82/34/766668234.db2.gz DDRBRVNMBJRDKW-IAGOWNOFSA-N 1 1 331.416 0.745 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCn3ccnn3)CC2)C1 ZINC001046024066 766675114 /nfs/dbraw/zinc/67/51/14/766675114.db2.gz DMKUNGYHKXFAPN-INIZCTEOSA-N 1 1 332.452 0.463 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3ccnn3)CC2)C1 ZINC001046025084 766677145 /nfs/dbraw/zinc/67/71/45/766677145.db2.gz SXLRKJZKHTZFAB-QGZVFWFLSA-N 1 1 346.479 0.853 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC001016655062 766677182 /nfs/dbraw/zinc/67/71/82/766677182.db2.gz LTBWRLJLPPDVEL-LSDHHAIUSA-N 1 1 338.473 0.948 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(NC(=O)CN3CCS(=O)(=O)CC3)CCC[C@H]12 ZINC000992480650 766679566 /nfs/dbraw/zinc/67/95/66/766679566.db2.gz UKTBEAHGVLLIKW-GOEBONIOSA-N 1 1 341.477 0.016 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CN3CCS(=O)(=O)CC3)CCC[C@H]12 ZINC000992480650 766679571 /nfs/dbraw/zinc/67/95/71/766679571.db2.gz UKTBEAHGVLLIKW-GOEBONIOSA-N 1 1 341.477 0.016 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CC)n3)CC2)C1 ZINC001046026454 766682730 /nfs/dbraw/zinc/68/27/30/766682730.db2.gz WZBQXMFLKNMPIV-HNNXBMFYSA-N 1 1 332.452 0.706 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CC)n3)CC2)C1 ZINC001046026453 766682900 /nfs/dbraw/zinc/68/29/00/766682900.db2.gz WYFFBHZDKBGRKY-OAHLLOKOSA-N 1 1 332.452 0.706 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC000994750130 766693940 /nfs/dbraw/zinc/69/39/40/766693940.db2.gz GMKMTEOULSMOPI-HNNXBMFYSA-N 1 1 341.415 0.325 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC000994750130 766693944 /nfs/dbraw/zinc/69/39/44/766693944.db2.gz GMKMTEOULSMOPI-HNNXBMFYSA-N 1 1 341.415 0.325 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2conc2C)C1 ZINC001016670699 766700624 /nfs/dbraw/zinc/70/06/24/766700624.db2.gz UISADJIVGRUUMO-XUJLQICISA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2conc2C)C1 ZINC001016670699 766700632 /nfs/dbraw/zinc/70/06/32/766700632.db2.gz UISADJIVGRUUMO-XUJLQICISA-N 1 1 344.415 0.800 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001046031443 766701159 /nfs/dbraw/zinc/70/11/59/766701159.db2.gz PCYHFMYSYNXJSY-IXDOHACOSA-N 1 1 348.491 0.696 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccccc2F)C1 ZINC000994752318 766701196 /nfs/dbraw/zinc/70/11/96/766701196.db2.gz RGBBYWYJRQDUEO-INIZCTEOSA-N 1 1 329.375 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccccc2F)C1 ZINC000994752318 766701203 /nfs/dbraw/zinc/70/12/03/766701203.db2.gz RGBBYWYJRQDUEO-INIZCTEOSA-N 1 1 329.375 0.864 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC001046031831 766703495 /nfs/dbraw/zinc/70/34/95/766703495.db2.gz ACGUKXSMODKDLF-IRXDYDNUSA-N 1 1 346.475 0.095 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000994752894 766704532 /nfs/dbraw/zinc/70/45/32/766704532.db2.gz WFULNAZPXFVMAS-PMPSAXMXSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000994752894 766704536 /nfs/dbraw/zinc/70/45/36/766704536.db2.gz WFULNAZPXFVMAS-PMPSAXMXSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)nnc3C)CC2)C1 ZINC001046032366 766704747 /nfs/dbraw/zinc/70/47/47/766704747.db2.gz CCUCXZDCEKFOOO-KRWDZBQOSA-N 1 1 341.459 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cn3ccc(C)n3)CC2)C1 ZINC001046032733 766707620 /nfs/dbraw/zinc/70/76/20/766707620.db2.gz IIVFHMWFJIUKQZ-AEFFLSMTSA-N 1 1 343.475 0.679 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046033176 766708845 /nfs/dbraw/zinc/70/88/45/766708845.db2.gz VGAYGRBVLKXWHV-CQSZACIVSA-N 1 1 329.872 0.976 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000994753559 766711081 /nfs/dbraw/zinc/71/10/81/766711081.db2.gz IOPFDGMBGQZXAE-DLBZAZTESA-N 1 1 346.475 0.285 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cccn4nnnc34)CC2)C1 ZINC001046034087 766712654 /nfs/dbraw/zinc/71/26/54/766712654.db2.gz OUSTWAMSDYYTST-AWEZNQCLSA-N 1 1 341.419 0.142 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)[nH]c2C)C1 ZINC000994756484 766721522 /nfs/dbraw/zinc/72/15/22/766721522.db2.gz XPKALNKJFGDGLA-INIZCTEOSA-N 1 1 328.416 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)[nH]c2C)C1 ZINC000994756484 766721531 /nfs/dbraw/zinc/72/15/31/766721531.db2.gz XPKALNKJFGDGLA-INIZCTEOSA-N 1 1 328.416 0.670 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3(F)CCOCC3)CC2)C1 ZINC001046035914 766722846 /nfs/dbraw/zinc/72/28/46/766722846.db2.gz WDSPODTYIXXCSE-MRXNPFEDSA-N 1 1 337.439 0.747 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN([C@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001046035968 766724578 /nfs/dbraw/zinc/72/45/78/766724578.db2.gz XOZYQGLYJFMPNF-SJORKVTESA-N 1 1 346.475 0.887 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2C)C1 ZINC001041998206 782575184 /nfs/dbraw/zinc/57/51/84/782575184.db2.gz DTUICCLCWYWRJM-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2C)C1 ZINC001041998206 782575189 /nfs/dbraw/zinc/57/51/89/782575189.db2.gz DTUICCLCWYWRJM-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)c(C)cc3=O)CC2)C1 ZINC001046036871 766729863 /nfs/dbraw/zinc/72/98/63/766729863.db2.gz IARKHVGARFAEBV-MRXNPFEDSA-N 1 1 342.443 0.159 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)c(C)cc3=O)CC2)C1 ZINC001046036871 766729865 /nfs/dbraw/zinc/72/98/65/766729865.db2.gz IARKHVGARFAEBV-MRXNPFEDSA-N 1 1 342.443 0.159 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046036917 766730079 /nfs/dbraw/zinc/73/00/79/766730079.db2.gz PFJKFOJFWITLRO-IAGOWNOFSA-N 1 1 333.480 0.603 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3CC)CC2)C1 ZINC001046037791 766736530 /nfs/dbraw/zinc/73/65/30/766736530.db2.gz YZGITWYJESFQCG-OAHLLOKOSA-N 1 1 329.448 0.448 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]nc3CC)CC2)C1 ZINC001046040270 766746874 /nfs/dbraw/zinc/74/68/74/766746874.db2.gz AOYYFHLVRHQWNH-OAHLLOKOSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3Cl)CC2)C1 ZINC001046042410 766755053 /nfs/dbraw/zinc/75/50/53/766755053.db2.gz ZJJYUFOFERXXJY-CYBMUJFWSA-N 1 1 335.839 0.539 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC001046043379 766760611 /nfs/dbraw/zinc/76/06/11/766760611.db2.gz DDGRLJCVECXZTA-GOSISDBHSA-N 1 1 341.459 0.651 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)cc(=O)oc3C)CC2)C1 ZINC001046044718 766767880 /nfs/dbraw/zinc/76/78/80/766767880.db2.gz PVFVHASMNNYBRN-INIZCTEOSA-N 1 1 343.427 0.722 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(Cl)n(C)n3)CC2)C1 ZINC001046045543 766771478 /nfs/dbraw/zinc/77/14/78/766771478.db2.gz ZITBADDDJWFEAU-CYBMUJFWSA-N 1 1 335.839 0.539 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nc(C)c(C)nc3C)CC2)C1 ZINC001046045480 766771663 /nfs/dbraw/zinc/77/16/63/766771663.db2.gz YBQACOYVWIPAEM-QGZVFWFLSA-N 1 1 341.459 0.867 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3nccn3C)CC2)C1 ZINC001046048139 766779993 /nfs/dbraw/zinc/77/99/93/766779993.db2.gz QTLQYDHEFZVMIT-KRWDZBQOSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCn3ccnc3)CC2)C1 ZINC001046048964 766781790 /nfs/dbraw/zinc/78/17/90/766781790.db2.gz GYSJLDRAAJMEGS-QGZVFWFLSA-N 1 1 329.448 0.515 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CCC)n[nH]3)CC2)C1 ZINC001046050160 766785325 /nfs/dbraw/zinc/78/53/25/766785325.db2.gz GELXUZVCCCIFKN-INIZCTEOSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(CCC)[nH]n3)CC2)C1 ZINC001046050160 766785329 /nfs/dbraw/zinc/78/53/29/766785329.db2.gz GELXUZVCCCIFKN-INIZCTEOSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CCC)[nH]n3)CC2)C1 ZINC001046050160 766785335 /nfs/dbraw/zinc/78/53/35/766785335.db2.gz GELXUZVCCCIFKN-INIZCTEOSA-N 1 1 329.448 0.828 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001046051648 766792251 /nfs/dbraw/zinc/79/22/51/766792251.db2.gz MBQKHJSOPKCSJH-HOTGVXAUSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3cnnn3C)C2)CC1 ZINC001046052386 766794581 /nfs/dbraw/zinc/79/45/81/766794581.db2.gz XJDSJUUZHJJMLV-HNNXBMFYSA-N 1 1 346.479 0.746 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+](Cc3cnnn3C)C2)CC1 ZINC001046052386 766794587 /nfs/dbraw/zinc/79/45/87/766794587.db2.gz XJDSJUUZHJJMLV-HNNXBMFYSA-N 1 1 346.479 0.746 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4cccnc43)CC2)C1 ZINC001046055363 766805672 /nfs/dbraw/zinc/80/56/72/766805672.db2.gz WTNMIKNSKIOQLK-ZWKOTPCHSA-N 1 1 338.455 0.963 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046059471 766822526 /nfs/dbraw/zinc/82/25/26/766822526.db2.gz IITXXJJQGAWDRQ-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 ZINC001046060630 766827734 /nfs/dbraw/zinc/82/77/34/766827734.db2.gz FKMBWHAAOZLKKB-LPHOPBHVSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC001046060936 766828034 /nfs/dbraw/zinc/82/80/34/766828034.db2.gz GAJHHVRVCZAZJF-MRXNPFEDSA-N 1 1 344.459 0.794 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1 ZINC001046062560 766835994 /nfs/dbraw/zinc/83/59/94/766835994.db2.gz VLDIQRHFCUXFEE-AWEZNQCLSA-N 1 1 333.436 0.534 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001046062560 766836006 /nfs/dbraw/zinc/83/60/06/766836006.db2.gz VLDIQRHFCUXFEE-AWEZNQCLSA-N 1 1 333.436 0.534 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001046062560 766836011 /nfs/dbraw/zinc/83/60/11/766836011.db2.gz VLDIQRHFCUXFEE-AWEZNQCLSA-N 1 1 333.436 0.534 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC001046063592 766840521 /nfs/dbraw/zinc/84/05/21/766840521.db2.gz RWZWWEKSSSPSIY-ZACQAIPSSA-N 1 1 348.491 0.505 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC001046068909 766865050 /nfs/dbraw/zinc/86/50/50/766865050.db2.gz WZVHCEYYHHOVTM-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001030964052 766871390 /nfs/dbraw/zinc/87/13/90/766871390.db2.gz GFUMBRXMXYZROD-HNNXBMFYSA-N 1 1 334.464 0.306 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CC2)C1 ZINC001046070853 766875562 /nfs/dbraw/zinc/87/55/62/766875562.db2.gz CLGSKMVPFFICOX-RHSMWYFYSA-N 1 1 343.475 0.982 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(CCOC)c1C)CO2 ZINC001053800789 766882846 /nfs/dbraw/zinc/88/28/46/766882846.db2.gz WYXYHIMHNHICDK-HNNXBMFYSA-N 1 1 348.447 0.987 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3CC)CC2)C1 ZINC001046074810 766892292 /nfs/dbraw/zinc/89/22/92/766892292.db2.gz HLBDGLGIYLMOJI-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn(C(C)C)nn3)CC2)C1 ZINC001046074905 766893191 /nfs/dbraw/zinc/89/31/91/766893191.db2.gz KSJVDRIGKMXZIK-INIZCTEOSA-N 1 1 344.463 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C#C)nc3)CC2)C1 ZINC001046075620 766896424 /nfs/dbraw/zinc/89/64/24/766896424.db2.gz CKUQBKGVYXRGGS-IBGZPJMESA-N 1 1 336.439 0.918 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC001046075670 766897207 /nfs/dbraw/zinc/89/72/07/766897207.db2.gz WPBQYFNEKGAVKB-SFHVURJKSA-N 1 1 341.459 0.651 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC001046077541 766908172 /nfs/dbraw/zinc/90/81/72/766908172.db2.gz BFBWVXXYXIHFFR-INIZCTEOSA-N 1 1 342.443 0.241 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C(C)C)c3)CC2)C1 ZINC001046078480 766910915 /nfs/dbraw/zinc/91/09/15/766910915.db2.gz YRJRXJWZVNDYDU-KRWDZBQOSA-N 1 1 329.448 0.929 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CCOC)c3)CC2)C1 ZINC001046080240 766914982 /nfs/dbraw/zinc/91/49/82/766914982.db2.gz CWHCQHJJDMOPPS-QGZVFWFLSA-N 1 1 347.463 0.548 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC001046080278 766916295 /nfs/dbraw/zinc/91/62/95/766916295.db2.gz DXZXLGWDPGIZFL-OAHLLOKOSA-N 1 1 347.463 0.837 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)C1 ZINC001046081901 766921008 /nfs/dbraw/zinc/92/10/08/766921008.db2.gz LQTSHGLGFXLROG-KRWDZBQOSA-N 1 1 343.475 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3noc4c3COCC4)CC2)C1 ZINC001046085913 766928036 /nfs/dbraw/zinc/92/80/36/766928036.db2.gz JWUCVJQJGIMOFS-AWEZNQCLSA-N 1 1 344.415 0.213 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)CO2 ZINC001053820528 766933436 /nfs/dbraw/zinc/93/34/36/766933436.db2.gz DXEHBUACRKCJRO-CHWSQXEVSA-N 1 1 335.404 0.060 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)Cn3c[nH+]cc3C)C2)CCC1 ZINC001046119684 766947788 /nfs/dbraw/zinc/94/77/88/766947788.db2.gz GUZOMMCWILMMKG-UHFFFAOYSA-N 1 1 346.431 0.627 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(Cc3ccon3)C2)C1 ZINC001053833115 766970091 /nfs/dbraw/zinc/97/00/91/766970091.db2.gz SXWDGQDFWTYVLQ-CVEARBPZSA-N 1 1 344.415 0.232 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(Cc3ccon3)C2)C1 ZINC001053833115 766970100 /nfs/dbraw/zinc/97/01/00/766970100.db2.gz SXWDGQDFWTYVLQ-CVEARBPZSA-N 1 1 344.415 0.232 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccc(OC)nc2)C1 ZINC001031740397 766983693 /nfs/dbraw/zinc/98/36/93/766983693.db2.gz BFTBBYBHEMTLIF-KRWDZBQOSA-N 1 1 342.443 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccc(OC)nc2)C1 ZINC001031740397 766983698 /nfs/dbraw/zinc/98/36/98/766983698.db2.gz BFTBBYBHEMTLIF-KRWDZBQOSA-N 1 1 342.443 0.736 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccnc(OC)n2)C1 ZINC001031740953 766987763 /nfs/dbraw/zinc/98/77/63/766987763.db2.gz OLVXKNHPDPREEN-INIZCTEOSA-N 1 1 343.431 0.131 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccnc(OC)n2)C1 ZINC001031740953 766987770 /nfs/dbraw/zinc/98/77/70/766987770.db2.gz OLVXKNHPDPREEN-INIZCTEOSA-N 1 1 343.431 0.131 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2snnc2C)C1 ZINC001031741446 766991109 /nfs/dbraw/zinc/99/11/09/766991109.db2.gz ZCIJDXNLHDQOFA-AWEZNQCLSA-N 1 1 333.461 0.492 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2snnc2C)C1 ZINC001031741446 766991111 /nfs/dbraw/zinc/99/11/11/766991111.db2.gz ZCIJDXNLHDQOFA-AWEZNQCLSA-N 1 1 333.461 0.492 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]2O)c1 ZINC001083765030 766999658 /nfs/dbraw/zinc/99/96/58/766999658.db2.gz KBUJUBHVEXRBBE-KURKYZTESA-N 1 1 343.427 0.797 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3OCC[C@H]3CC)C2)C1=O ZINC001031743713 767007288 /nfs/dbraw/zinc/00/72/88/767007288.db2.gz GQQUHPJEZAZWRX-PMPSAXMXSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001046169099 767010946 /nfs/dbraw/zinc/01/09/46/767010946.db2.gz LKBUMHSNJZHXQB-RHSMWYFYSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001046169099 767010954 /nfs/dbraw/zinc/01/09/54/767010954.db2.gz LKBUMHSNJZHXQB-RHSMWYFYSA-N 1 1 331.420 0.699 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)CO2 ZINC001053853563 767027587 /nfs/dbraw/zinc/02/75/87/767027587.db2.gz JAZGQBGQIHLDEV-ZDUSSCGKSA-N 1 1 332.404 0.333 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001046202826 767056105 /nfs/dbraw/zinc/05/61/05/767056105.db2.gz MSGACIUKKRIIMS-QAPCUYQASA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001046202826 767056112 /nfs/dbraw/zinc/05/61/12/767056112.db2.gz MSGACIUKKRIIMS-QAPCUYQASA-N 1 1 345.447 0.710 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3nnnn3c1)CO2 ZINC001053869378 767083165 /nfs/dbraw/zinc/08/31/65/767083165.db2.gz KUJUKVSXHIHPMD-AWEZNQCLSA-N 1 1 342.403 0.664 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3nnnn3c1)CO2 ZINC001053869898 767085515 /nfs/dbraw/zinc/08/55/15/767085515.db2.gz XBQGLIOCOJFVGT-ZDUSSCGKSA-N 1 1 328.376 0.274 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046223026 767091091 /nfs/dbraw/zinc/09/10/91/767091091.db2.gz GDJVDFXXRYWVMA-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nncn3CC1)CO2 ZINC001053873957 767100266 /nfs/dbraw/zinc/10/02/66/767100266.db2.gz OGJDIVRFDBENMM-LSDHHAIUSA-N 1 1 345.447 0.766 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046248234 767107813 /nfs/dbraw/zinc/10/78/13/767107813.db2.gz NESOAUUJLIZBCB-APPDUMDISA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046248234 767107819 /nfs/dbraw/zinc/10/78/19/767107819.db2.gz NESOAUUJLIZBCB-APPDUMDISA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938823407 767122395 /nfs/dbraw/zinc/12/23/95/767122395.db2.gz HQOJHTIFXJDMHE-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046287180 767128512 /nfs/dbraw/zinc/12/85/12/767128512.db2.gz INLWUODVIXTIBF-WMLDXEAASA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046287180 767128514 /nfs/dbraw/zinc/12/85/14/767128514.db2.gz INLWUODVIXTIBF-WMLDXEAASA-N 1 1 346.362 0.886 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nnc(C2CC2)n1C ZINC001127604565 767140370 /nfs/dbraw/zinc/14/03/70/767140370.db2.gz GUJQSCHZQPDWLW-KGLIPLIRSA-N 1 1 333.436 0.880 20 30 ECEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046321647 767147431 /nfs/dbraw/zinc/14/74/31/767147431.db2.gz ROWBUQVLAJLPDF-DYVFJYSZSA-N 1 1 331.420 0.919 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001046329402 767152016 /nfs/dbraw/zinc/15/20/16/767152016.db2.gz OKFUFODUUQELMU-VNHYZAJKSA-N 1 1 344.419 0.294 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001046329402 767152017 /nfs/dbraw/zinc/15/20/17/767152017.db2.gz OKFUFODUUQELMU-VNHYZAJKSA-N 1 1 344.419 0.294 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2nccnc2N)C1 ZINC001089789443 767184575 /nfs/dbraw/zinc/18/45/75/767184575.db2.gz XCLCKAICNSRFST-AJNGGQMLSA-N 1 1 325.416 0.865 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001046392679 767191610 /nfs/dbraw/zinc/19/16/10/767191610.db2.gz IXUKNDAJSHLCPL-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001046392679 767191612 /nfs/dbraw/zinc/19/16/12/767191612.db2.gz IXUKNDAJSHLCPL-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)c(C)n2)CC[N@H+]1C ZINC001106142589 767197467 /nfs/dbraw/zinc/19/74/67/767197467.db2.gz SXHJRGXPWUWQRA-OWCLPIDISA-N 1 1 345.447 0.881 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CS(=O)(=O)C1 ZINC001089806919 767234334 /nfs/dbraw/zinc/23/43/34/767234334.db2.gz VWSRWUIGYZCNIO-XZDPQHSOSA-N 1 1 338.473 0.776 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cncn3C)C2)C1=O ZINC001046454416 767237045 /nfs/dbraw/zinc/23/70/45/767237045.db2.gz IQUXLNZOJKUFCX-CXAGYDPISA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cncn3C)C2)C1=O ZINC001046454416 767237048 /nfs/dbraw/zinc/23/70/48/767237048.db2.gz IQUXLNZOJKUFCX-CXAGYDPISA-N 1 1 331.420 0.401 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001046468065 767244497 /nfs/dbraw/zinc/24/44/97/767244497.db2.gz MPAAAARRNJWOBH-SFHVURJKSA-N 1 1 329.400 0.768 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3n[nH]c4c3CCC4)C2)C1=O ZINC001031808072 767253262 /nfs/dbraw/zinc/25/32/62/767253262.db2.gz PFITXOKGJPEVPG-HNNXBMFYSA-N 1 1 343.431 0.347 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C(C)C)CO2 ZINC001053899516 767288223 /nfs/dbraw/zinc/28/82/23/767288223.db2.gz OVLODJNFKMWNND-GJZGRUSLSA-N 1 1 335.448 0.921 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001046542405 767292958 /nfs/dbraw/zinc/29/29/58/767292958.db2.gz IYDHMVDTNOJRCH-YJBOKZPZSA-N 1 1 341.415 0.662 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089820582 767316244 /nfs/dbraw/zinc/31/62/44/767316244.db2.gz NWIKITYZXHEYKK-YVSFHVDLSA-N 1 1 347.459 0.590 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc[nH]c1=O ZINC001089823006 767339575 /nfs/dbraw/zinc/33/95/75/767339575.db2.gz BSHKENFYOWUMQY-XZDPQHSOSA-N 1 1 326.400 0.988 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001106151816 767382705 /nfs/dbraw/zinc/38/27/05/767382705.db2.gz SZQXMVSLBHBOMF-YCPHGPKFSA-N 1 1 334.420 0.964 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)ccc1C#N ZINC001106155110 767393169 /nfs/dbraw/zinc/39/31/69/767393169.db2.gz UVRNJCCPHCJQOA-CVEARBPZSA-N 1 1 341.415 0.248 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)ccc1C#N ZINC001106155110 767393179 /nfs/dbraw/zinc/39/31/79/767393179.db2.gz UVRNJCCPHCJQOA-CVEARBPZSA-N 1 1 341.415 0.248 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC001089832718 767398166 /nfs/dbraw/zinc/39/81/66/767398166.db2.gz YCXSNSPECXUXFO-HZMVEIRTSA-N 1 1 344.459 0.594 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001106154259 767404230 /nfs/dbraw/zinc/40/42/30/767404230.db2.gz GDHIBDYFKTXPOA-GJZGRUSLSA-N 1 1 331.420 0.080 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)CO2 ZINC001053941548 767411898 /nfs/dbraw/zinc/41/18/98/767411898.db2.gz WULLZAXUEJFYFD-OAHLLOKOSA-N 1 1 330.432 0.989 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106157342 767420461 /nfs/dbraw/zinc/42/04/61/767420461.db2.gz CUKGRUCQRPHOJU-KBPBESRZSA-N 1 1 349.410 0.856 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccnnc3)C2)C1=O ZINC001046655086 767423098 /nfs/dbraw/zinc/42/30/98/767423098.db2.gz LGXUDNYDMRUPAN-WMLDXEAASA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccnnc3)C2)C1=O ZINC001046655086 767423101 /nfs/dbraw/zinc/42/31/01/767423101.db2.gz LGXUDNYDMRUPAN-WMLDXEAASA-N 1 1 329.404 0.458 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1coc(C(N)=O)c1 ZINC001089839106 767434873 /nfs/dbraw/zinc/43/48/73/767434873.db2.gz PRJZWSNGCUYIDH-ATGSNQNLSA-N 1 1 327.384 0.794 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CCN([C@H](C)C(N)=O)CC3)CC1 ZINC001016984068 767437900 /nfs/dbraw/zinc/43/79/00/767437900.db2.gz BXVQTPYCWHCQIJ-GDBMZVCRSA-N 1 1 346.475 0.176 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001016993197 767446572 /nfs/dbraw/zinc/44/65/72/767446572.db2.gz IVHUAOSKLQAUFM-OFLPRAFFSA-N 1 1 340.427 0.876 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046672366 767453941 /nfs/dbraw/zinc/45/39/41/767453941.db2.gz SNNVCCCDQZASFF-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc3ncccn3n1)CO2 ZINC001053959664 767455755 /nfs/dbraw/zinc/45/57/55/767455755.db2.gz DMGSKUXRWPVXME-LBPRGKRZSA-N 1 1 328.376 0.274 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106169770 767478664 /nfs/dbraw/zinc/47/86/64/767478664.db2.gz LLYUJWAUKAFTGI-CVEARBPZSA-N 1 1 345.447 0.963 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001046685797 767482531 /nfs/dbraw/zinc/48/25/31/767482531.db2.gz DBFMXNSGFKBNPQ-INIZCTEOSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001046685797 767482534 /nfs/dbraw/zinc/48/25/34/767482534.db2.gz DBFMXNSGFKBNPQ-INIZCTEOSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)nn1 ZINC001046689542 767486216 /nfs/dbraw/zinc/48/62/16/767486216.db2.gz NETIVDJCKRQVFX-KRWDZBQOSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001046689542 767486219 /nfs/dbraw/zinc/48/62/19/767486219.db2.gz NETIVDJCKRQVFX-KRWDZBQOSA-N 1 1 346.435 0.281 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)cn1 ZINC001053984574 767532043 /nfs/dbraw/zinc/53/20/43/767532043.db2.gz AFXFHXHFJUJKKI-WMLDXEAASA-N 1 1 341.411 0.673 20 30 ECEDMO Cn1cc(C[N@H+](C)C[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001017110149 767603365 /nfs/dbraw/zinc/60/33/65/767603365.db2.gz XSYRQQSLSRRZKR-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001017110149 767603372 /nfs/dbraw/zinc/60/33/72/767603372.db2.gz XSYRQQSLSRRZKR-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)N1CCOCC1)CO2 ZINC001054026174 767627526 /nfs/dbraw/zinc/62/75/26/767627526.db2.gz RKWTWULIPIZQIA-JKSUJKDBSA-N 1 1 337.464 0.633 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC001060476340 767686519 /nfs/dbraw/zinc/68/65/19/767686519.db2.gz DFMVMTSUWCXIOE-GAUGTXIDSA-N 1 1 325.416 0.702 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)c1 ZINC001054111931 767702421 /nfs/dbraw/zinc/70/24/21/767702421.db2.gz FECDYXFDERUTDR-YJBOKZPZSA-N 1 1 341.415 0.703 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)c[nH]1 ZINC001054118532 767706179 /nfs/dbraw/zinc/70/61/79/767706179.db2.gz KJGRUQMTIZSELX-CRAIPNDOSA-N 1 1 341.415 0.703 20 30 ECEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017194908 767710657 /nfs/dbraw/zinc/71/06/57/767710657.db2.gz QRBMGHSFKCUXGH-ZDUSSCGKSA-N 1 1 332.379 0.853 20 30 ECEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017195443 767711656 /nfs/dbraw/zinc/71/16/56/767711656.db2.gz ULGUOPXZOWIEQT-OAHLLOKOSA-N 1 1 344.415 0.745 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017201264 767719724 /nfs/dbraw/zinc/71/97/24/767719724.db2.gz ZXVIJVYFMJOOGT-ZDUSSCGKSA-N 1 1 332.379 0.853 20 30 ECEDMO N#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001054168721 767764947 /nfs/dbraw/zinc/76/49/47/767764947.db2.gz HTJJNLXCMANNMQ-TXLGJMDYSA-N 1 1 344.459 0.688 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001054167433 767765716 /nfs/dbraw/zinc/76/57/16/767765716.db2.gz TYNNPTOCDKAACW-SFHVURJKSA-N 1 1 347.463 0.863 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)CCOCCNc1cc(C)[nH+]c(C)n1 ZINC001127286130 767785336 /nfs/dbraw/zinc/78/53/36/767785336.db2.gz LYGYWYCTTMPGMC-UHFFFAOYSA-N 1 1 347.419 0.120 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001054215382 767814455 /nfs/dbraw/zinc/81/44/55/767814455.db2.gz UFOMRVDHJRIKCO-KRWDZBQOSA-N 1 1 334.420 0.429 20 30 ECEDMO CC#CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780756 767816118 /nfs/dbraw/zinc/81/61/18/767816118.db2.gz ZEFCJGWYEALQTN-GOEBONIOSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001054225448 767831746 /nfs/dbraw/zinc/83/17/46/767831746.db2.gz XNFJBWAYVIZZNQ-SFHVURJKSA-N 1 1 346.431 0.266 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(N)=O)C2 ZINC001054226553 767834071 /nfs/dbraw/zinc/83/40/71/767834071.db2.gz SLKPDEVBWFQJOR-MAUKXSAKSA-N 1 1 332.448 0.867 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001054237721 767847129 /nfs/dbraw/zinc/84/71/29/767847129.db2.gz AXAJYYYRNMWAKZ-CXAGYDPISA-N 1 1 334.420 0.475 20 30 ECEDMO CN(CCOCCNc1cncc(C#N)n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001127346915 768370174 /nfs/dbraw/zinc/37/01/74/768370174.db2.gz IPHXLGKFRNJCFL-AWEZNQCLSA-N 1 1 346.435 0.577 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 ZINC001054903442 768404699 /nfs/dbraw/zinc/40/46/99/768404699.db2.gz NAPSUMFGKJOPIO-QPSCCSFWSA-N 1 1 326.404 0.668 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106539069 768419034 /nfs/dbraw/zinc/41/90/34/768419034.db2.gz FIXASANGIIIFHE-ZFWWWQNUSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106539069 768419039 /nfs/dbraw/zinc/41/90/39/768419039.db2.gz FIXASANGIIIFHE-ZFWWWQNUSA-N 1 1 346.435 0.764 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)C1CC1 ZINC001042045420 782664221 /nfs/dbraw/zinc/66/42/21/782664221.db2.gz XYGIXACOOQLVCW-WBVHZDCISA-N 1 1 329.444 0.943 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CCN1CCNC1=O ZINC000993200206 768449498 /nfs/dbraw/zinc/44/94/98/768449498.db2.gz MOUUXZBNMXVZAK-DOMZBBRYSA-N 1 1 344.419 0.494 20 30 ECEDMO CC(C)=CC(=O)N1C[C@@H](C)OC2(CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001111536031 768557627 /nfs/dbraw/zinc/55/76/27/768557627.db2.gz XQXMXALAUOIKCO-OAHLLOKOSA-N 1 1 348.447 0.674 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N(C)CCOCCNc1cc(C)ncc1C#N ZINC001127369345 768566218 /nfs/dbraw/zinc/56/62/18/768566218.db2.gz RFMWMRAGHDDMPG-UHFFFAOYSA-N 1 1 347.463 0.912 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2C1 ZINC001055180320 768635656 /nfs/dbraw/zinc/63/56/56/768635656.db2.gz AJWDUEJQVGCZES-HZSPNIEDSA-N 1 1 336.461 0.254 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)C1 ZINC001055197137 768658094 /nfs/dbraw/zinc/65/80/94/768658094.db2.gz QVYAYPOTNXNROV-UKMLZYKCSA-N 1 1 340.431 0.916 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055248481 768705892 /nfs/dbraw/zinc/70/58/92/768705892.db2.gz NVOZVXNAWWKEPV-OAGGEKHMSA-N 1 1 335.448 0.448 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001055251009 768710358 /nfs/dbraw/zinc/71/03/58/768710358.db2.gz SXGIJBONRDIYKA-VVLHAWIVSA-N 1 1 349.475 0.836 20 30 ECEDMO C#CCCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055269104 768726147 /nfs/dbraw/zinc/72/61/47/768726147.db2.gz AXLLFFKQTGONFX-IXDOHACOSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055269104 768726151 /nfs/dbraw/zinc/72/61/51/768726151.db2.gz AXLLFFKQTGONFX-IXDOHACOSA-N 1 1 347.459 0.427 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)C1 ZINC001055296491 768751458 /nfs/dbraw/zinc/75/14/58/768751458.db2.gz RXSCZPANIPWDLR-TXCZRRACSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)C1 ZINC001055296491 768751462 /nfs/dbraw/zinc/75/14/62/768751462.db2.gz RXSCZPANIPWDLR-TXCZRRACSA-N 1 1 341.415 0.510 20 30 ECEDMO C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001098790598 768770613 /nfs/dbraw/zinc/77/06/13/768770613.db2.gz WPUQPGPNZGIOSS-MRXNPFEDSA-N 1 1 332.452 0.505 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001098790598 768770621 /nfs/dbraw/zinc/77/06/21/768770621.db2.gz WPUQPGPNZGIOSS-MRXNPFEDSA-N 1 1 332.452 0.505 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@@H]2C1 ZINC001055338178 768794254 /nfs/dbraw/zinc/79/42/54/768794254.db2.gz PAWPLKSKWTVDDP-WCXIOVBPSA-N 1 1 347.459 0.141 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001055338392 768794923 /nfs/dbraw/zinc/79/49/23/768794923.db2.gz SPXXMONSFIQTMM-IYBDPMFKSA-N 1 1 344.415 0.148 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001055345629 768804252 /nfs/dbraw/zinc/80/42/52/768804252.db2.gz OJFUQUXWZSFGDX-CWRNSKLLSA-N 1 1 346.431 0.699 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COc3c(C)nn(C)c3C)C[C@H]21 ZINC001042063530 782701890 /nfs/dbraw/zinc/70/18/90/782701890.db2.gz YNGWEBRYLSXGOI-HZPDHXFCSA-N 1 1 330.432 0.972 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001106773167 768912466 /nfs/dbraw/zinc/91/24/66/768912466.db2.gz JYJCBOGPHIMUEK-AWEZNQCLSA-N 1 1 332.408 0.329 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001106773167 768912471 /nfs/dbraw/zinc/91/24/71/768912471.db2.gz JYJCBOGPHIMUEK-AWEZNQCLSA-N 1 1 332.408 0.329 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1-n1cnnn1 ZINC001018253352 768975995 /nfs/dbraw/zinc/97/59/95/768975995.db2.gz FKYQKAWZHADJAK-GASCZTMLSA-N 1 1 336.399 0.974 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC000993414168 768992338 /nfs/dbraw/zinc/99/23/38/768992338.db2.gz NCRCAZUMSYDBDM-KGLIPLIRSA-N 1 1 334.420 0.092 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cnsn2)CC1 ZINC001055531547 769025699 /nfs/dbraw/zinc/02/56/99/769025699.db2.gz JHVMBHCJWSQZAT-UHFFFAOYSA-N 1 1 349.460 0.508 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(c2cnc(C#N)cn2)C3)C1 ZINC001055535130 769041089 /nfs/dbraw/zinc/04/10/89/769041089.db2.gz RSXWKPFMDCQUBJ-DEYYWGMASA-N 1 1 340.431 0.775 20 30 ECEDMO C#CCCCC(=O)NC1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055545476 769080575 /nfs/dbraw/zinc/08/05/75/769080575.db2.gz JOCFFBFCDYBNOG-QGZVFWFLSA-N 1 1 348.491 0.581 20 30 ECEDMO C=C(C)CCC(=O)NC1CC[NH+](CCNC(=O)c2ncn(C)n2)CC1 ZINC001055570162 769140794 /nfs/dbraw/zinc/14/07/94/769140794.db2.gz GBGVLBCDGSDMTJ-UHFFFAOYSA-N 1 1 348.451 0.482 20 30 ECEDMO C=CCn1cc(C(=O)NCC[NH+]2CCC(NC(=O)C3CC3)CC2)nn1 ZINC001055577754 769169355 /nfs/dbraw/zinc/16/93/55/769169355.db2.gz UJKOIOKJANDUQM-UHFFFAOYSA-N 1 1 346.435 0.185 20 30 ECEDMO CC(C)C#CC(=O)NC1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055578610 769174543 /nfs/dbraw/zinc/17/45/43/769174543.db2.gz QSXCBRGBWCVIGA-MRXNPFEDSA-N 1 1 348.491 0.294 20 30 ECEDMO CC(C)C#CC(=O)NC1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055578610 769174549 /nfs/dbraw/zinc/17/45/49/769174549.db2.gz QSXCBRGBWCVIGA-MRXNPFEDSA-N 1 1 348.491 0.294 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NCCN1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055589295 769192811 /nfs/dbraw/zinc/19/28/11/769192811.db2.gz FLPBDKKVMLZSEK-UHFFFAOYSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCC[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H]1C ZINC000993489294 769204289 /nfs/dbraw/zinc/20/42/89/769204289.db2.gz JTGZZFKIHGBLAL-ZFWWWQNUSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H]1C ZINC000993489294 769204293 /nfs/dbraw/zinc/20/42/93/769204293.db2.gz JTGZZFKIHGBLAL-ZFWWWQNUSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000993518693 769216095 /nfs/dbraw/zinc/21/60/95/769216095.db2.gz INZKNGSYWDFTPG-PWSUYJOCSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000993518693 769216102 /nfs/dbraw/zinc/21/61/02/769216102.db2.gz INZKNGSYWDFTPG-PWSUYJOCSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1C ZINC000993617522 769369924 /nfs/dbraw/zinc/36/99/24/769369924.db2.gz FFCAMFWRFMYJRU-KGLIPLIRSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H]1C ZINC000993587780 769375631 /nfs/dbraw/zinc/37/56/31/769375631.db2.gz OYOKOCXKHNYTJB-KBPBESRZSA-N 1 1 332.404 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CCC)C1 ZINC001055715665 769498034 /nfs/dbraw/zinc/49/80/34/769498034.db2.gz IFKMBTYYZWOAGD-YJBOKZPZSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CCC)C1 ZINC001055715665 769498037 /nfs/dbraw/zinc/49/80/37/769498037.db2.gz IFKMBTYYZWOAGD-YJBOKZPZSA-N 1 1 335.448 0.354 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)[C@@H]2C)c1 ZINC000993774781 769599798 /nfs/dbraw/zinc/59/97/98/769599798.db2.gz UFGWOLJZUZZZHS-RHSMWYFYSA-N 1 1 338.415 0.937 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@@H]21 ZINC001042099365 782764780 /nfs/dbraw/zinc/76/47/80/782764780.db2.gz AUXQBBMSAMWIRT-HOCLYGCPSA-N 1 1 328.416 0.973 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H]1C ZINC000993861387 769709512 /nfs/dbraw/zinc/70/95/12/769709512.db2.gz XIGKYDDRLFXTAM-KGLIPLIRSA-N 1 1 330.432 0.957 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)c1 ZINC001018682990 769756915 /nfs/dbraw/zinc/75/69/15/769756915.db2.gz UBFKDVJOAWHMBJ-AWEZNQCLSA-N 1 1 339.403 0.892 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000993863999 769765926 /nfs/dbraw/zinc/76/59/26/769765926.db2.gz HRHXVFYTMINUDW-XNRPHZJLSA-N 1 1 343.431 0.805 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001055824687 769862339 /nfs/dbraw/zinc/86/23/39/769862339.db2.gz BBTMISSUXGISLR-HNNXBMFYSA-N 1 1 347.394 0.462 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001055824687 769862353 /nfs/dbraw/zinc/86/23/53/769862353.db2.gz BBTMISSUXGISLR-HNNXBMFYSA-N 1 1 347.394 0.462 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H]1C ZINC000993921844 769886013 /nfs/dbraw/zinc/88/60/13/769886013.db2.gz YQULJLGWIVZDFZ-UONOGXRCSA-N 1 1 344.419 0.436 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055836935 769916488 /nfs/dbraw/zinc/91/64/88/769916488.db2.gz HYSNJGHRNDVMRZ-YJBOKZPZSA-N 1 1 335.448 0.354 20 30 ECEDMO NC(=O)[C@H]([NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1)c1ccc(F)cc1 ZINC001018827571 770019960 /nfs/dbraw/zinc/01/99/60/770019960.db2.gz VRPJXMQNLAPLCE-DOTOQJQBSA-N 1 1 329.375 0.956 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc(=O)[nH]c1 ZINC001078378166 782806236 /nfs/dbraw/zinc/80/62/36/782806236.db2.gz SRTGZMCYJKKEJX-ZFWWWQNUSA-N 1 1 344.415 0.509 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc(=O)[nH]c1 ZINC001078378166 782806248 /nfs/dbraw/zinc/80/62/48/782806248.db2.gz SRTGZMCYJKKEJX-ZFWWWQNUSA-N 1 1 344.415 0.509 20 30 ECEDMO C#CCCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055895604 770126099 /nfs/dbraw/zinc/12/60/99/770126099.db2.gz XGQVYXXTBAJMCQ-QFBILLFUSA-N 1 1 349.475 0.601 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001018879866 770175575 /nfs/dbraw/zinc/17/55/75/770175575.db2.gz KVMSZQWSFKYARH-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001055910151 770177930 /nfs/dbraw/zinc/17/79/30/770177930.db2.gz ICHSJILTVUVABF-APWZRJJASA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000994197602 770287451 /nfs/dbraw/zinc/28/74/51/770287451.db2.gz JDXJFLPKQSKFMW-UHFFFAOYSA-N 1 1 327.388 0.820 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055939134 770292906 /nfs/dbraw/zinc/29/29/06/770292906.db2.gz SDTSOINLXNJYSV-GOSISDBHSA-N 1 1 344.415 0.075 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(NC(=O)C#CC(C)(C)C)C2)C1 ZINC001055939682 770296915 /nfs/dbraw/zinc/29/69/15/770296915.db2.gz FMSCJLZBCBPDAE-HNAYVOBHSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2noc(CCC)n2)C1 ZINC001018985914 770483441 /nfs/dbraw/zinc/48/34/41/770483441.db2.gz LZUYTNVINXHURL-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2noc(CCC)n2)C1 ZINC001018985914 770483446 /nfs/dbraw/zinc/48/34/46/770483446.db2.gz LZUYTNVINXHURL-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@H]21 ZINC001042141161 782841955 /nfs/dbraw/zinc/84/19/55/782841955.db2.gz CAYUIHNBIKQFDE-GDBMZVCRSA-N 1 1 344.415 0.059 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001056013821 770552065 /nfs/dbraw/zinc/55/20/65/770552065.db2.gz NMKSIUABLBSLFQ-GOSISDBHSA-N 1 1 348.447 0.873 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001056068267 770734843 /nfs/dbraw/zinc/73/48/43/770734843.db2.gz UJDNVMLTKPIPNV-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)[nH]1 ZINC001078397700 782867051 /nfs/dbraw/zinc/86/70/51/782867051.db2.gz CXTZYVXPFRYPBS-IUODEOHRSA-N 1 1 331.420 0.795 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046996691 770877450 /nfs/dbraw/zinc/87/74/50/770877450.db2.gz WWRGCBWEUYHTTA-LBPRGKRZSA-N 1 1 340.374 0.434 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@]2(CO)CCCN(C(=O)C#CC3CC3)C2)C1 ZINC001056127901 770891375 /nfs/dbraw/zinc/89/13/75/770891375.db2.gz IQDTVBYVTKAEQU-BEFAXECRSA-N 1 1 347.459 0.211 20 30 ECEDMO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3[nH]nnc3C)C2)cc1C#N ZINC001019225083 771026485 /nfs/dbraw/zinc/02/64/85/771026485.db2.gz NULQNCLZNNLQQV-AWEZNQCLSA-N 1 1 340.387 0.998 20 30 ECEDMO CN1C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)NC1=O ZINC001019239221 771044628 /nfs/dbraw/zinc/04/46/28/771044628.db2.gz JJDNEAOUFMHBLO-LSDHHAIUSA-N 1 1 345.378 0.411 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)C[C@H]21 ZINC001042173760 782889473 /nfs/dbraw/zinc/88/94/73/782889473.db2.gz TZAMTHWUVYHBKB-GOEBONIOSA-N 1 1 336.399 0.832 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001056254144 771046201 /nfs/dbraw/zinc/04/62/01/771046201.db2.gz OZKXCVMXYPPUAV-ANRZDRKOSA-N 1 1 325.416 0.846 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)CC(C)(C)C1 ZINC001089399010 771046698 /nfs/dbraw/zinc/04/66/98/771046698.db2.gz RUNOBLGNPJSFDJ-CQSZACIVSA-N 1 1 343.493 0.815 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089434154 771169395 /nfs/dbraw/zinc/16/93/95/771169395.db2.gz QCGAHBBBEZYITG-CQSZACIVSA-N 1 1 346.431 0.579 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001019365194 771209137 /nfs/dbraw/zinc/20/91/37/771209137.db2.gz WLKUXLSMXWZKPW-GJZGRUSLSA-N 1 1 328.416 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001019365194 771209139 /nfs/dbraw/zinc/20/91/39/771209139.db2.gz WLKUXLSMXWZKPW-GJZGRUSLSA-N 1 1 328.416 0.305 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001077551091 771220248 /nfs/dbraw/zinc/22/02/48/771220248.db2.gz LLWCMQYPJGMVGJ-RBSFLKMASA-N 1 1 335.448 0.208 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)C[N@H+](C)CCC ZINC001056401815 771227019 /nfs/dbraw/zinc/22/70/19/771227019.db2.gz LAKHTGDZJXTMTA-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CC[N@H+](C)CC ZINC001056403465 771230812 /nfs/dbraw/zinc/23/08/12/771230812.db2.gz YKQIXPWUIICNEZ-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)C[N@H+](C)C(C)C ZINC001056405116 771233496 /nfs/dbraw/zinc/23/34/96/771233496.db2.gz IQOCTMHUNUYYHH-IRXDYDNUSA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001056412621 771245108 /nfs/dbraw/zinc/24/51/08/771245108.db2.gz KGTPIKLPVQQHRP-HVOFVXBASA-N 1 1 326.404 0.383 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001056414482 771247136 /nfs/dbraw/zinc/24/71/36/771247136.db2.gz ZDOJLAGYHIGMEI-CVEARBPZSA-N 1 1 346.431 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1 ZINC001089490968 771324963 /nfs/dbraw/zinc/32/49/63/771324963.db2.gz GPUIRUCATWWFIP-XHSDSOJGSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cn(C(C)C)nn3)C2)nn1 ZINC001019483461 771346849 /nfs/dbraw/zinc/34/68/49/771346849.db2.gz QATHWTXYEIDDPY-ZDUSSCGKSA-N 1 1 344.423 0.641 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2CC3(C2)CC(Nc2ccnc(C#N)n2)C3)C1 ZINC001056520474 771349971 /nfs/dbraw/zinc/34/99/71/771349971.db2.gz DSRLHVOPSORONC-BUOZDNFQSA-N 1 1 340.431 0.561 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212241102 771363352 /nfs/dbraw/zinc/36/33/52/771363352.db2.gz KMVISCZGACUNLF-BRWVUGGUSA-N 1 1 338.448 0.657 20 30 ECEDMO Cc1nsc(N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001056599647 771420172 /nfs/dbraw/zinc/42/01/72/771420172.db2.gz MFADMBKILNXQBH-DGCLKSJQSA-N 1 1 335.433 0.667 20 30 ECEDMO Cc1nsc(N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001056599647 771420173 /nfs/dbraw/zinc/42/01/73/771420173.db2.gz MFADMBKILNXQBH-DGCLKSJQSA-N 1 1 335.433 0.667 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(c2cc(C)[nH+]c(C)n2)CCCO1 ZINC001089547353 771446318 /nfs/dbraw/zinc/44/63/18/771446318.db2.gz SDSKBGWDACFSNC-INIZCTEOSA-N 1 1 346.431 0.845 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001056631678 771450940 /nfs/dbraw/zinc/45/09/40/771450940.db2.gz KRVNEIDWNCHPLY-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCCO1 ZINC001089548436 771451580 /nfs/dbraw/zinc/45/15/80/771451580.db2.gz LGZSNNKGTJMERY-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCCO1 ZINC001089549663 771458659 /nfs/dbraw/zinc/45/86/59/771458659.db2.gz XTPDYNWBXWTCSW-OAHLLOKOSA-N 1 1 346.435 0.402 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3nc(C)ccc3C#N)C2)C1 ZINC001056648446 771467135 /nfs/dbraw/zinc/46/71/35/771467135.db2.gz WHWTZVBYUARXCR-HZPDHXFCSA-N 1 1 343.431 0.995 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3nc(C)ccc3C#N)C2)C1 ZINC001056648446 771467139 /nfs/dbraw/zinc/46/71/39/771467139.db2.gz WHWTZVBYUARXCR-HZPDHXFCSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089552837 771467332 /nfs/dbraw/zinc/46/73/32/771467332.db2.gz FKYZIBAUNITLBU-CYBMUJFWSA-N 1 1 346.431 0.730 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@H]21 ZINC001042200677 782928219 /nfs/dbraw/zinc/92/82/19/782928219.db2.gz IOILVYAFJXIENF-UKRRQHHQSA-N 1 1 329.400 0.867 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001056661968 771483047 /nfs/dbraw/zinc/48/30/47/771483047.db2.gz LWFXBHBNGCJMEJ-BBWFWOEESA-N 1 1 347.459 0.426 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001056661968 771483050 /nfs/dbraw/zinc/48/30/50/771483050.db2.gz LWFXBHBNGCJMEJ-BBWFWOEESA-N 1 1 347.459 0.426 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@@H]21 ZINC001042200472 782928375 /nfs/dbraw/zinc/92/83/75/782928375.db2.gz DRVNKMLJJSDXGV-HIFRSBDPSA-N 1 1 329.400 0.867 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C[C@H]21 ZINC001042202261 782931504 /nfs/dbraw/zinc/93/15/04/782931504.db2.gz YOWVCNLYFCLCSA-SMDDNHRTSA-N 1 1 325.372 0.833 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)C2CCN(C(=O)CC3CC3)CC2)C1=O ZINC001089569197 771531242 /nfs/dbraw/zinc/53/12/42/771531242.db2.gz SMDPEBLWQHQMRC-KRWDZBQOSA-N 1 1 349.475 0.859 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245914 771531989 /nfs/dbraw/zinc/53/19/89/771531989.db2.gz FZLOOGYCDPTRNX-GUDVDZBRSA-N 1 1 342.439 0.819 20 30 ECEDMO CC(=O)N1CC(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)C1 ZINC001031636645 771556443 /nfs/dbraw/zinc/55/64/43/771556443.db2.gz KLEUFRCHINOAGC-UHFFFAOYSA-N 1 1 325.412 0.564 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042210501 782943224 /nfs/dbraw/zinc/94/32/24/782943224.db2.gz JYFFQYMNQLLZID-UKRRQHHQSA-N 1 1 342.399 0.475 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042210501 782943227 /nfs/dbraw/zinc/94/32/27/782943227.db2.gz JYFFQYMNQLLZID-UKRRQHHQSA-N 1 1 342.399 0.475 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)cc1C#N ZINC001042210627 782944402 /nfs/dbraw/zinc/94/44/02/782944402.db2.gz LLKWFUVVRKGGRM-DZGCQCFKSA-N 1 1 342.399 0.475 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)c(F)c1 ZINC001042211243 782944447 /nfs/dbraw/zinc/94/44/47/782944447.db2.gz PKQINXYEQVHBND-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)c(F)c1 ZINC001042211243 782944449 /nfs/dbraw/zinc/94/44/49/782944449.db2.gz PKQINXYEQVHBND-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056814523 771679252 /nfs/dbraw/zinc/67/92/52/771679252.db2.gz QLNIFPLIOGJEFC-KGLIPLIRSA-N 1 1 328.420 0.657 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C(C)C)C2)nc1 ZINC001019675170 771703707 /nfs/dbraw/zinc/70/37/07/771703707.db2.gz DMRJAUADKAUUBX-AWEZNQCLSA-N 1 1 339.403 0.635 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nn(CC)nc3C)C2)nc1 ZINC001019676741 771704227 /nfs/dbraw/zinc/70/42/27/771704227.db2.gz BEEGTHBHTAOGLU-HNNXBMFYSA-N 1 1 338.415 0.987 20 30 ECEDMO CN(c1ccc(C#N)cn1)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001056879842 771757110 /nfs/dbraw/zinc/75/71/10/771757110.db2.gz NSCVGKPURYXCOR-HUUCEWRRSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ccc(C#N)cn1)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001056879842 771757111 /nfs/dbraw/zinc/75/71/11/771757111.db2.gz NSCVGKPURYXCOR-HUUCEWRRSA-N 1 1 329.404 0.321 20 30 ECEDMO C=C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1)c1ccccc1 ZINC001019805039 771818523 /nfs/dbraw/zinc/81/85/23/771818523.db2.gz QMSPFIDFTPZHPO-LSDHHAIUSA-N 1 1 326.404 0.870 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001056942417 771840559 /nfs/dbraw/zinc/84/05/59/771840559.db2.gz XTEZQEHHOLGNEF-KGLIPLIRSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@@H]21 ZINC001042234528 782964401 /nfs/dbraw/zinc/96/44/01/782964401.db2.gz MVDCTRYIZCJZMT-HOCLYGCPSA-N 1 1 342.443 0.693 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nnc4c3CCCC4)C[C@H]21 ZINC001042237438 782967962 /nfs/dbraw/zinc/96/79/62/782967962.db2.gz GRERNPOEDUXTKI-RHSMWYFYSA-N 1 1 327.432 0.713 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 ZINC001057027617 771963658 /nfs/dbraw/zinc/96/36/58/771963658.db2.gz LVCNXYQXQHBFBT-UONOGXRCSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3ccnc(C#N)n3)C2)O1 ZINC001057062986 772020041 /nfs/dbraw/zinc/02/00/41/772020041.db2.gz VCUCRNZOMPYNNZ-MGPQQGTHSA-N 1 1 344.419 0.104 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3ccnc(C#N)n3)C2)O1 ZINC001057062986 772020047 /nfs/dbraw/zinc/02/00/47/772020047.db2.gz VCUCRNZOMPYNNZ-MGPQQGTHSA-N 1 1 344.419 0.104 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@H]1C ZINC001020033823 772094941 /nfs/dbraw/zinc/09/49/41/772094941.db2.gz HJUIKBMPFZDULD-VGWMRTNUSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@H]1C ZINC001020033823 772094944 /nfs/dbraw/zinc/09/49/44/772094944.db2.gz HJUIKBMPFZDULD-VGWMRTNUSA-N 1 1 333.432 0.369 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001020066679 772121059 /nfs/dbraw/zinc/12/10/59/772121059.db2.gz QQRBZWWMWWCGLV-UMVBOHGHSA-N 1 1 331.420 0.284 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001057144036 772159780 /nfs/dbraw/zinc/15/97/80/772159780.db2.gz HYWUVPOVBKQRFV-OAHLLOKOSA-N 1 1 343.468 0.247 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001020123895 772186945 /nfs/dbraw/zinc/18/69/45/772186945.db2.gz OXIKITBOXYKHHG-LUKYLMHMSA-N 1 1 346.475 0.284 20 30 ECEDMO C=CCOCC(=O)N(CCO)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001057196581 772256732 /nfs/dbraw/zinc/25/67/32/772256732.db2.gz NQASMWXUTNDNDS-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001020191215 772263786 /nfs/dbraw/zinc/26/37/86/772263786.db2.gz SUJBDEIAMPREFR-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057213867 772289796 /nfs/dbraw/zinc/28/97/96/772289796.db2.gz PUAYRSAULKFMPM-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(c3ccc(C#N)cn3)CC2)O1 ZINC001057254930 772350816 /nfs/dbraw/zinc/35/08/16/772350816.db2.gz LPCQGKKURXRZRV-GDBMZVCRSA-N 1 1 343.431 0.711 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(c3ccc(C#N)cn3)CC2)O1 ZINC001057254930 772350823 /nfs/dbraw/zinc/35/08/23/772350823.db2.gz LPCQGKKURXRZRV-GDBMZVCRSA-N 1 1 343.431 0.711 20 30 ECEDMO Cc1cc(NC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001057303110 772432052 /nfs/dbraw/zinc/43/20/52/772432052.db2.gz DGIVFVVMJMPOAK-QGZVFWFLSA-N 1 1 343.431 0.417 20 30 ECEDMO Cc1cc(NC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001057303110 772432056 /nfs/dbraw/zinc/43/20/56/772432056.db2.gz DGIVFVVMJMPOAK-QGZVFWFLSA-N 1 1 343.431 0.417 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3cncc(C#N)n3)CC2)C1 ZINC001057303501 772433457 /nfs/dbraw/zinc/43/34/57/772433457.db2.gz ZQJAZASUVYFELC-AWEZNQCLSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3cncc(C#N)n3)CC2)C1 ZINC001057303501 772433460 /nfs/dbraw/zinc/43/34/60/772433460.db2.gz ZQJAZASUVYFELC-AWEZNQCLSA-N 1 1 330.392 0.082 20 30 ECEDMO N#CCOc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)cc1 ZINC001020341646 772468534 /nfs/dbraw/zinc/46/85/34/772468534.db2.gz ZAYJPLUDIZPBIE-JOCQHMNTSA-N 1 1 326.360 0.758 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001057536352 772731607 /nfs/dbraw/zinc/73/16/07/772731607.db2.gz UIKTVJNKJBQDCZ-HNNXBMFYSA-N 1 1 344.415 0.111 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057538012 772733232 /nfs/dbraw/zinc/73/32/32/772733232.db2.gz SZCLWSZPCCTDAO-GASCZTMLSA-N 1 1 335.448 0.210 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001057600446 772797651 /nfs/dbraw/zinc/79/76/51/772797651.db2.gz APAMKAOWSSQQGE-HOCLYGCPSA-N 1 1 329.404 0.109 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001057600446 772797654 /nfs/dbraw/zinc/79/76/54/772797654.db2.gz APAMKAOWSSQQGE-HOCLYGCPSA-N 1 1 329.404 0.109 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001057602021 772800217 /nfs/dbraw/zinc/80/02/17/772800217.db2.gz QMHLLFRQWNTGPO-DZGCQCFKSA-N 1 1 347.394 0.826 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001057602021 772800219 /nfs/dbraw/zinc/80/02/19/772800219.db2.gz QMHLLFRQWNTGPO-DZGCQCFKSA-N 1 1 347.394 0.826 20 30 ECEDMO C=CCC(CC=C)C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001057680438 772906712 /nfs/dbraw/zinc/90/67/12/772906712.db2.gz GCYZMJXIWPZYBP-MRXNPFEDSA-N 1 1 337.464 0.786 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001057747602 772961615 /nfs/dbraw/zinc/96/16/15/772961615.db2.gz RWKIJDMHTHZHCT-KKUMJFAQSA-N 1 1 342.447 0.903 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057811845 773014559 /nfs/dbraw/zinc/01/45/59/773014559.db2.gz IARVYYCVEGMLBT-BBRMVZONSA-N 1 1 342.447 0.879 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001057864066 773089920 /nfs/dbraw/zinc/08/99/20/773089920.db2.gz AUFYXVZGOORQAM-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)C ZINC001057864237 773091126 /nfs/dbraw/zinc/09/11/26/773091126.db2.gz IGMFWFIXYUHCSF-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057945780 773245537 /nfs/dbraw/zinc/24/55/37/773245537.db2.gz HCQPEJCVXLSUAP-DOMZBBRYSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@H](C)C1CC1 ZINC001057962071 773293650 /nfs/dbraw/zinc/29/36/50/773293650.db2.gz GNBDIVXOCWRCDK-RDJZCZTQSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@H](C)C1CC1 ZINC001057962071 773293653 /nfs/dbraw/zinc/29/36/53/773293653.db2.gz GNBDIVXOCWRCDK-RDJZCZTQSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(C)(C)C=C ZINC001057962421 773295618 /nfs/dbraw/zinc/29/56/18/773295618.db2.gz VTLFNOJJDQAPJV-HNNXBMFYSA-N 1 1 335.448 0.233 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(C)(C)C=C ZINC001057962421 773295625 /nfs/dbraw/zinc/29/56/25/773295625.db2.gz VTLFNOJJDQAPJV-HNNXBMFYSA-N 1 1 335.448 0.233 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058041121 773411325 /nfs/dbraw/zinc/41/13/25/773411325.db2.gz QMDQXIWZLUZIAO-CQSZACIVSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058043261 773415755 /nfs/dbraw/zinc/41/57/55/773415755.db2.gz FETMNMLUXKERKT-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058043261 773415757 /nfs/dbraw/zinc/41/57/57/773415757.db2.gz FETMNMLUXKERKT-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCN(c2ccc(C#N)cn2)CC1 ZINC001058043397 773416787 /nfs/dbraw/zinc/41/67/87/773416787.db2.gz MNBBNNKDDHMZAY-MRXNPFEDSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCN(c2ccc(C#N)cn2)CC1 ZINC001058043397 773416789 /nfs/dbraw/zinc/41/67/89/773416789.db2.gz MNBBNNKDDHMZAY-MRXNPFEDSA-N 1 1 343.431 0.711 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001040608639 783095767 /nfs/dbraw/zinc/09/57/67/783095767.db2.gz GMLRSUFILUDKMK-APWZRJJASA-N 1 1 349.475 0.744 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058056337 773445696 /nfs/dbraw/zinc/44/56/96/773445696.db2.gz QWNAQARTGPQIRW-ZDUSSCGKSA-N 1 1 328.420 0.727 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001040611376 783100028 /nfs/dbraw/zinc/10/00/28/783100028.db2.gz YRTTYFGFQDKUKO-GOSISDBHSA-N 1 1 337.464 0.600 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058168065 773684403 /nfs/dbraw/zinc/68/44/03/773684403.db2.gz SZBBWYFPYDOQMZ-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058168065 773684405 /nfs/dbraw/zinc/68/44/05/773684405.db2.gz SZBBWYFPYDOQMZ-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058240861 773828476 /nfs/dbraw/zinc/82/84/76/773828476.db2.gz BWQVQUPTDXEVNW-UKRRQHHQSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058241251 773829150 /nfs/dbraw/zinc/82/91/50/773829150.db2.gz MRONIMPMYGCFRY-KBPBESRZSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058241252 773829559 /nfs/dbraw/zinc/82/95/59/773829559.db2.gz MRONIMPMYGCFRY-KGLIPLIRSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058241681 773830076 /nfs/dbraw/zinc/83/00/76/773830076.db2.gz XCSXDDZTCANCLT-KBPBESRZSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)CC[N@H+](C)CCC ZINC001058252807 773847089 /nfs/dbraw/zinc/84/70/89/773847089.db2.gz YNMRVKWDEWPHIA-UHFFFAOYSA-N 1 1 339.480 0.849 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058255378 773853862 /nfs/dbraw/zinc/85/38/62/773853862.db2.gz NOKSPXCATASRRZ-UHFFFAOYSA-N 1 1 325.453 0.315 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058257374 773858024 /nfs/dbraw/zinc/85/80/24/773858024.db2.gz VAXNSVHZFFWIDL-OAHLLOKOSA-N 1 1 327.469 0.868 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)C2)O1 ZINC001058263985 773875138 /nfs/dbraw/zinc/87/51/38/773875138.db2.gz HXAFPYPVEUCHLY-FRFSOERESA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)C2)O1 ZINC001058263985 773875141 /nfs/dbraw/zinc/87/51/41/773875141.db2.gz HXAFPYPVEUCHLY-FRFSOERESA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)O1 ZINC001058264301 773876341 /nfs/dbraw/zinc/87/63/41/773876341.db2.gz SVNWKFAEXDTTFK-UMVBOHGHSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)O1 ZINC001058264301 773876344 /nfs/dbraw/zinc/87/63/44/773876344.db2.gz SVNWKFAEXDTTFK-UMVBOHGHSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058264428 773876679 /nfs/dbraw/zinc/87/66/79/773876679.db2.gz ZCFOTYXLRHZSDM-HOTGVXAUSA-N 1 1 338.415 0.531 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058264428 773876685 /nfs/dbraw/zinc/87/66/85/773876685.db2.gz ZCFOTYXLRHZSDM-HOTGVXAUSA-N 1 1 338.415 0.531 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001058286516 773920910 /nfs/dbraw/zinc/92/09/10/773920910.db2.gz ROGNNIOTFKBTJO-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058317126 773961888 /nfs/dbraw/zinc/96/18/88/773961888.db2.gz PBRQSLCBOIIYLT-GXTWGEPZSA-N 1 1 333.367 0.118 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058317126 773961895 /nfs/dbraw/zinc/96/18/95/773961895.db2.gz PBRQSLCBOIIYLT-GXTWGEPZSA-N 1 1 333.367 0.118 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3nc(C)cc(C#N)n3)C2)C1 ZINC001058376844 774061091 /nfs/dbraw/zinc/06/10/91/774061091.db2.gz XOSMXVRZDXHKDS-DZGCQCFKSA-N 1 1 344.419 0.072 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3nc(C)cc(C#N)n3)C2)C1 ZINC001058376844 774061092 /nfs/dbraw/zinc/06/10/92/774061092.db2.gz XOSMXVRZDXHKDS-DZGCQCFKSA-N 1 1 344.419 0.072 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cocc1C ZINC001058406993 774122236 /nfs/dbraw/zinc/12/22/36/774122236.db2.gz RUFVXBXQENUWTE-INIZCTEOSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cocc1C ZINC001058406993 774122241 /nfs/dbraw/zinc/12/22/41/774122241.db2.gz RUFVXBXQENUWTE-INIZCTEOSA-N 1 1 347.415 0.236 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001058442879 774190534 /nfs/dbraw/zinc/19/05/34/774190534.db2.gz VFFVIXOEDYWLTO-HOTGVXAUSA-N 1 1 337.464 0.315 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058466516 774239520 /nfs/dbraw/zinc/23/95/20/774239520.db2.gz PJLQSSPRPSEHCD-HUUCEWRRSA-N 1 1 325.453 0.478 20 30 ECEDMO N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001058469217 774245936 /nfs/dbraw/zinc/24/59/36/774245936.db2.gz BMZQCFHIIFDOKL-CHWSQXEVSA-N 1 1 337.387 0.817 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)C1 ZINC001058543418 774399861 /nfs/dbraw/zinc/39/98/61/774399861.db2.gz TWCSBOAAKILBOK-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001058573696 774457521 /nfs/dbraw/zinc/45/75/21/774457521.db2.gz UHIQPQTZCQINCC-AEGPPILISA-N 1 1 328.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nc(CC)ns2)C1 ZINC001058589338 774491274 /nfs/dbraw/zinc/49/12/74/774491274.db2.gz AEMBQFPOHZWDEH-STQMWFEESA-N 1 1 333.461 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nc(CC)ns2)C1 ZINC001058589338 774491276 /nfs/dbraw/zinc/49/12/76/774491276.db2.gz AEMBQFPOHZWDEH-STQMWFEESA-N 1 1 333.461 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncc(Cl)cn2)C1 ZINC001058589383 774491345 /nfs/dbraw/zinc/49/13/45/774491345.db2.gz BQBMUHYTQZVDOI-KBPBESRZSA-N 1 1 333.823 0.923 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncc(Cl)cn2)C1 ZINC001058589383 774491348 /nfs/dbraw/zinc/49/13/48/774491348.db2.gz BQBMUHYTQZVDOI-KBPBESRZSA-N 1 1 333.823 0.923 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CCN(c1cnc(C#N)cn1)CC2 ZINC001058627493 774566428 /nfs/dbraw/zinc/56/64/28/774566428.db2.gz TWSKHBOMNHSBGI-GJZGRUSLSA-N 1 1 340.431 0.918 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O ZINC001044779197 774603097 /nfs/dbraw/zinc/60/30/97/774603097.db2.gz VRHVGHOGWNEJRY-BMFZPTHFSA-N 1 1 329.404 0.103 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039858176 783199124 /nfs/dbraw/zinc/19/91/24/783199124.db2.gz LLYAQVWVDFYIJM-LBTNJELSSA-N 1 1 337.464 0.618 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC001045030738 774866245 /nfs/dbraw/zinc/86/62/45/774866245.db2.gz SSLFVIOBQGZDSX-AWEZNQCLSA-N 1 1 330.436 0.922 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001045069640 774930335 /nfs/dbraw/zinc/93/03/35/774930335.db2.gz YKFNTBPYOXLIPX-HUUCEWRRSA-N 1 1 337.464 0.620 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1O ZINC001043875999 775178028 /nfs/dbraw/zinc/17/80/28/775178028.db2.gz RTQOGZSZLPYLDA-MCIONIFRSA-N 1 1 349.822 0.367 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@H](C)c2nncn2C)nn1 ZINC001045231609 775188332 /nfs/dbraw/zinc/18/83/32/775188332.db2.gz CSBBDBNVMPWXQM-OLZOCXBDSA-N 1 1 344.423 0.548 20 30 ECEDMO CCc1nc(N2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cc(C)[nH+]1 ZINC001043892141 775235175 /nfs/dbraw/zinc/23/51/75/775235175.db2.gz RAGQACVTGAMFIP-KGLIPLIRSA-N 1 1 340.387 0.527 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044006970 775495805 /nfs/dbraw/zinc/49/58/05/775495805.db2.gz AQCNAVVRKCXVGV-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070025906 790368932 /nfs/dbraw/zinc/36/89/32/790368932.db2.gz QJFGFDWUOKNAKK-KGLIPLIRSA-N 1 1 340.387 0.822 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070025906 790368936 /nfs/dbraw/zinc/36/89/36/790368936.db2.gz QJFGFDWUOKNAKK-KGLIPLIRSA-N 1 1 340.387 0.822 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2C#N)C1 ZINC001045430793 775603027 /nfs/dbraw/zinc/60/30/27/775603027.db2.gz ORMSMYQOZNZWOO-NFAWXSAZSA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2C#N)C1 ZINC001045430793 775603032 /nfs/dbraw/zinc/60/30/32/775603032.db2.gz ORMSMYQOZNZWOO-NFAWXSAZSA-N 1 1 344.419 0.518 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070027446 790376720 /nfs/dbraw/zinc/37/67/20/790376720.db2.gz HDFQOTHBZRPFQG-KGLIPLIRSA-N 1 1 329.408 0.849 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070027446 790376732 /nfs/dbraw/zinc/37/67/32/790376732.db2.gz HDFQOTHBZRPFQG-KGLIPLIRSA-N 1 1 329.408 0.849 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001045489794 775694525 /nfs/dbraw/zinc/69/45/25/775694525.db2.gz LRLPPYODJCGGHB-CYBMUJFWSA-N 1 1 332.408 0.176 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001045551245 775778725 /nfs/dbraw/zinc/77/87/25/775778725.db2.gz GNHVDJMYZHASDN-HIFRSBDPSA-N 1 1 348.447 0.243 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001044293914 776077355 /nfs/dbraw/zinc/07/73/55/776077355.db2.gz CPWMNNUEZUEFFH-CABCVRRESA-N 1 1 339.480 0.866 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001044323230 776152577 /nfs/dbraw/zinc/15/25/77/776152577.db2.gz ZAOWYOFHLKYLCD-MRXNPFEDSA-N 1 1 348.472 0.983 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001044323230 776152589 /nfs/dbraw/zinc/15/25/89/776152589.db2.gz ZAOWYOFHLKYLCD-MRXNPFEDSA-N 1 1 348.472 0.983 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001044550599 776422985 /nfs/dbraw/zinc/42/29/85/776422985.db2.gz PIZNDPVZHZMEIC-CMPLNLGQSA-N 1 1 328.380 0.193 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070054175 790462433 /nfs/dbraw/zinc/46/24/33/790462433.db2.gz LHQMTWYGNMEUSN-CABCVRRESA-N 1 1 343.435 0.953 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070054175 790462438 /nfs/dbraw/zinc/46/24/38/790462438.db2.gz LHQMTWYGNMEUSN-CABCVRRESA-N 1 1 343.435 0.953 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642704 776588733 /nfs/dbraw/zinc/58/87/33/776588733.db2.gz JHBQBWMMXHCOMO-FVQBIDKESA-N 1 1 327.384 0.583 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642704 776588744 /nfs/dbraw/zinc/58/87/44/776588744.db2.gz JHBQBWMMXHCOMO-FVQBIDKESA-N 1 1 327.384 0.583 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnn(C)n3)C[C@H]2C)cc1 ZINC001044709864 776677405 /nfs/dbraw/zinc/67/74/05/776677405.db2.gz ZJVJBBWMSPHXRC-CJNGLKHVSA-N 1 1 338.415 0.974 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001079695299 776708958 /nfs/dbraw/zinc/70/89/58/776708958.db2.gz STXGLBYDMSYLSJ-UMVBOHGHSA-N 1 1 329.404 0.222 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001079776456 776851509 /nfs/dbraw/zinc/85/15/09/776851509.db2.gz GXHUNPVQLLCZAT-CABCVRRESA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079804081 776902682 /nfs/dbraw/zinc/90/26/82/776902682.db2.gz SKWBAHDFVDQKGO-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001079807561 776912805 /nfs/dbraw/zinc/91/28/05/776912805.db2.gz DDYQMLFTKCZCFS-ZYHUDNBSSA-N 1 1 335.857 0.211 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001079807561 776912812 /nfs/dbraw/zinc/91/28/12/776912812.db2.gz DDYQMLFTKCZCFS-ZYHUDNBSSA-N 1 1 335.857 0.211 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001079808489 776914684 /nfs/dbraw/zinc/91/46/84/776914684.db2.gz SWDUKXSVOPUTNY-CVEARBPZSA-N 1 1 346.431 0.842 20 30 ECEDMO C=CCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001079900135 777044903 /nfs/dbraw/zinc/04/49/03/777044903.db2.gz VKFFYWHOHCUDPI-GDBMZVCRSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001079911982 777061362 /nfs/dbraw/zinc/06/13/62/777061362.db2.gz YUTSZQLKLSQAJQ-RAIGVLPGSA-N 1 1 347.419 0.261 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001070076299 790522664 /nfs/dbraw/zinc/52/26/64/790522664.db2.gz JUNVBDXUKAVUEK-CABCVRRESA-N 1 1 329.408 0.172 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](n2ccnn2)C1 ZINC001070084643 790547912 /nfs/dbraw/zinc/54/79/12/790547912.db2.gz NGBVPASDXHJCCA-OLZOCXBDSA-N 1 1 326.364 0.095 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](n2ccnn2)C1 ZINC001070084643 790547919 /nfs/dbraw/zinc/54/79/19/790547919.db2.gz NGBVPASDXHJCCA-OLZOCXBDSA-N 1 1 326.364 0.095 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2F)[C@@H](n2ccnn2)C1 ZINC001070086932 790557221 /nfs/dbraw/zinc/55/72/21/790557221.db2.gz VNUVQONBSXAUES-OLZOCXBDSA-N 1 1 347.398 0.691 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)c1 ZINC001080410679 777810165 /nfs/dbraw/zinc/81/01/65/777810165.db2.gz NJFSCRROGSGUCS-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001080475407 777907398 /nfs/dbraw/zinc/90/73/98/777907398.db2.gz KSIVSBMOXTZEBW-TUVASFSCSA-N 1 1 349.431 0.163 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001043187447 777911109 /nfs/dbraw/zinc/91/11/09/777911109.db2.gz DUUXCLILSGFNIS-UHFFFAOYSA-N 1 1 337.464 0.785 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CCC1 ZINC001043351216 778207421 /nfs/dbraw/zinc/20/74/21/778207421.db2.gz XEYCIPCRJGRQCR-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 ZINC001043415078 778290766 /nfs/dbraw/zinc/29/07/66/778290766.db2.gz NKIZUHKJGDFYGI-OAHLLOKOSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001043440181 778339042 /nfs/dbraw/zinc/33/90/42/778339042.db2.gz QEWVAVSMTAQERS-ZBFHGGJFSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001043440181 778339046 /nfs/dbraw/zinc/33/90/46/778339046.db2.gz QEWVAVSMTAQERS-ZBFHGGJFSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001043462195 778372539 /nfs/dbraw/zinc/37/25/39/778372539.db2.gz HENKJYMXFGUESS-CQSZACIVSA-N 1 1 344.415 0.254 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001043464140 778377754 /nfs/dbraw/zinc/37/77/54/778377754.db2.gz SUQFGOKPSIHOJY-CYBMUJFWSA-N 1 1 332.404 0.416 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 ZINC001068575961 790616783 /nfs/dbraw/zinc/61/67/83/790616783.db2.gz YIIXJXVFFCXEKG-JSGCOSHPSA-N 1 1 345.403 0.227 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)[C@@H](n2ccnn2)C1 ZINC001070103835 790618587 /nfs/dbraw/zinc/61/85/87/790618587.db2.gz MBZYMPWDECIPNB-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)[C@@H](n2ccnn2)C1 ZINC001070103835 790618593 /nfs/dbraw/zinc/61/85/93/790618593.db2.gz MBZYMPWDECIPNB-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001043515924 778448091 /nfs/dbraw/zinc/44/80/91/778448091.db2.gz AKXYOIPEJCBLHF-UMVBOHGHSA-N 1 1 328.420 0.949 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043772953 778849483 /nfs/dbraw/zinc/84/94/83/778849483.db2.gz IAEZAWQDELSPSC-HUUCEWRRSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068615302 790715247 /nfs/dbraw/zinc/71/52/47/790715247.db2.gz MTWXISQQVXAMPL-KKUMJFAQSA-N 1 1 338.415 0.174 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068615302 790715257 /nfs/dbraw/zinc/71/52/57/790715257.db2.gz MTWXISQQVXAMPL-KKUMJFAQSA-N 1 1 338.415 0.174 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC001068620163 790727049 /nfs/dbraw/zinc/72/70/49/790727049.db2.gz IENOZMVCHDAOGE-ZFWWWQNUSA-N 1 1 348.447 0.507 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001042268923 779946265 /nfs/dbraw/zinc/94/62/65/779946265.db2.gz HLLCEFPVFMAMCG-AAEUAGOBSA-N 1 1 339.823 0.715 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001042268923 779946268 /nfs/dbraw/zinc/94/62/68/779946268.db2.gz HLLCEFPVFMAMCG-AAEUAGOBSA-N 1 1 339.823 0.715 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]21 ZINC001042285242 779988450 /nfs/dbraw/zinc/98/84/50/779988450.db2.gz MMDDRYZKYVTUNH-TZMCWYRMSA-N 1 1 332.404 0.848 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21 ZINC001042285399 779988573 /nfs/dbraw/zinc/98/85/73/779988573.db2.gz NTRGAKGSOAXMRW-JSGCOSHPSA-N 1 1 330.388 0.295 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]21 ZINC001042288336 779996157 /nfs/dbraw/zinc/99/61/57/779996157.db2.gz SCICQFKKRJSLOC-HOTGVXAUSA-N 1 1 330.432 0.969 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 ZINC001068631347 790754680 /nfs/dbraw/zinc/75/46/80/790754680.db2.gz DJWYIUIPFMTIKO-ZIAGYGMSSA-N 1 1 336.436 0.364 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC001042301434 780023186 /nfs/dbraw/zinc/02/31/86/780023186.db2.gz IBFWCQYONFCFPG-UONOGXRCSA-N 1 1 346.431 0.263 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 ZINC001042309276 780045955 /nfs/dbraw/zinc/04/59/55/780045955.db2.gz BLDNSEONQFTMFJ-ZIAGYGMSSA-N 1 1 334.420 0.379 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@H]21 ZINC001042314042 780055141 /nfs/dbraw/zinc/05/51/41/780055141.db2.gz WZGNAYTWXZTQKT-UKRRQHHQSA-N 1 1 339.399 0.995 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCCO[C@@H](C[NH2+]CC3CC3)C2)CC1 ZINC001078510869 780060696 /nfs/dbraw/zinc/06/06/96/780060696.db2.gz CLYSYNLDLMEEFC-SFHVURJKSA-N 1 1 333.476 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)cn1 ZINC001042317906 780064257 /nfs/dbraw/zinc/06/42/57/780064257.db2.gz CQZZKXHECGEDAT-YOEHRIQHSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC001042333265 780087672 /nfs/dbraw/zinc/08/76/72/780087672.db2.gz NICIDILOJVWHMZ-ZIAGYGMSSA-N 1 1 346.431 0.263 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@H]21 ZINC001042351950 780121923 /nfs/dbraw/zinc/12/19/23/780121923.db2.gz VLVPPTHQWNGCMD-ZIAGYGMSSA-N 1 1 330.388 0.868 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCCO)[C@H]3C2)CC1 ZINC001042369291 780158101 /nfs/dbraw/zinc/15/81/01/780158101.db2.gz WBIBNMFTVRGMGQ-WMZOPIPTSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCCO)[C@H]3C2)CC1 ZINC001042369291 780158107 /nfs/dbraw/zinc/15/81/07/780158107.db2.gz WBIBNMFTVRGMGQ-WMZOPIPTSA-N 1 1 333.476 0.637 20 30 ECEDMO Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159951 790787385 /nfs/dbraw/zinc/78/73/85/790787385.db2.gz XFYJWNAXCOEJSY-KMUNFCNLSA-N 1 1 343.391 0.584 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001042663827 780606208 /nfs/dbraw/zinc/60/62/08/780606208.db2.gz HFAFZMBJYPULOE-UHFFFAOYSA-N 1 1 337.464 0.600 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001079134921 780797740 /nfs/dbraw/zinc/79/77/40/780797740.db2.gz ZRDFKJMKGSNWKH-ARFHVFGLSA-N 1 1 345.399 0.355 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001079134921 780797749 /nfs/dbraw/zinc/79/77/49/780797749.db2.gz ZRDFKJMKGSNWKH-ARFHVFGLSA-N 1 1 345.399 0.355 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2ccon2)CC1 ZINC001079164702 780846413 /nfs/dbraw/zinc/84/64/13/780846413.db2.gz OLOBZESAJSASBL-AWEZNQCLSA-N 1 1 347.419 0.879 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C=C(/C)CC)C1 ZINC001042926374 781049772 /nfs/dbraw/zinc/04/97/72/781049772.db2.gz GHZWHRPAYRTVRE-LTBFUDJGSA-N 1 1 333.432 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C=C(/C)CC)C1 ZINC001042926374 781049780 /nfs/dbraw/zinc/04/97/80/781049780.db2.gz GHZWHRPAYRTVRE-LTBFUDJGSA-N 1 1 333.432 0.130 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042939567 781070369 /nfs/dbraw/zinc/07/03/69/781070369.db2.gz BWOGSLKNYZKYLY-INIZCTEOSA-N 1 1 349.475 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001042960024 781100754 /nfs/dbraw/zinc/10/07/54/781100754.db2.gz KLSJQJDDLNHECW-HNNXBMFYSA-N 1 1 342.447 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001042960024 781100759 /nfs/dbraw/zinc/10/07/59/781100759.db2.gz KLSJQJDDLNHECW-HNNXBMFYSA-N 1 1 342.447 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2nnc(C)[nH]2)C1 ZINC001042961077 781103798 /nfs/dbraw/zinc/10/37/98/781103798.db2.gz XMNLBHNTEJONPY-WFASDCNBSA-N 1 1 330.436 0.414 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042970491 781118364 /nfs/dbraw/zinc/11/83/64/781118364.db2.gz MLZGHAPJWCYFCI-GASCZTMLSA-N 1 1 349.475 0.598 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001079440858 781121626 /nfs/dbraw/zinc/12/16/26/781121626.db2.gz WONMPILXSSZFDJ-XYPHTWIQSA-N 1 1 329.400 0.910 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001079440765 781121837 /nfs/dbraw/zinc/12/18/37/781121837.db2.gz SQMZBIUNSGJXGB-XYPHTWIQSA-N 1 1 329.400 0.910 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001079440765 781121842 /nfs/dbraw/zinc/12/18/42/781121842.db2.gz SQMZBIUNSGJXGB-XYPHTWIQSA-N 1 1 329.400 0.910 20 30 ECEDMO CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001042974999 781124414 /nfs/dbraw/zinc/12/44/14/781124414.db2.gz RDNNTRQSLZBHCL-NWANDNLSSA-N 1 1 344.419 0.010 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](CC)OC)C1 ZINC001079451921 781133842 /nfs/dbraw/zinc/13/38/42/781133842.db2.gz COPFMWUNRNVEKA-JKSUJKDBSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](CC)OC)C1 ZINC001079451921 781133846 /nfs/dbraw/zinc/13/38/46/781133846.db2.gz COPFMWUNRNVEKA-JKSUJKDBSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001079469616 781155122 /nfs/dbraw/zinc/15/51/22/781155122.db2.gz OXHJRCVBMCEEHR-NLGTXKQRSA-N 1 1 347.459 0.875 20 30 ECEDMO CC(C)c1[nH+]ccn1CCC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 ZINC001043011051 781177285 /nfs/dbraw/zinc/17/72/85/781177285.db2.gz WHCHTGIKWVVQOQ-CYBMUJFWSA-N 1 1 347.419 0.246 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589720 781292598 /nfs/dbraw/zinc/29/25/98/781292598.db2.gz NLJHOCDBAUBHLO-CRAIPNDOSA-N 1 1 342.443 0.827 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001041369241 781370312 /nfs/dbraw/zinc/37/03/12/781370312.db2.gz WOKUYNWSGLDGOY-LPHOPBHVSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001077655409 781435907 /nfs/dbraw/zinc/43/59/07/781435907.db2.gz NTOXUOPLEBLOAM-HUUCEWRRSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3nc(OC)cc(OC)n3)C2)C1 ZINC001041413895 781456891 /nfs/dbraw/zinc/45/68/91/781456891.db2.gz XEYAWLFXRIPGQH-QGZVFWFLSA-N 1 1 330.388 0.665 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001041420118 781470120 /nfs/dbraw/zinc/47/01/20/781470120.db2.gz ZOSISDONXTVHRN-GOSISDBHSA-N 1 1 334.464 0.261 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cnc4ccc(OC)nn43)C2)C1 ZINC001041422368 781474020 /nfs/dbraw/zinc/47/40/20/781474020.db2.gz NDBPOANFBTYHJR-SFHVURJKSA-N 1 1 339.399 0.909 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(N(C)c2ccc(C#N)nn2)CC1 ZINC001068680621 790882903 /nfs/dbraw/zinc/88/29/03/790882903.db2.gz JHGUMNXBAQDAPU-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041449992 781541692 /nfs/dbraw/zinc/54/16/92/781541692.db2.gz BSSBBWAJIGMPLP-GOEBONIOSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041449992 781541693 /nfs/dbraw/zinc/54/16/93/781541693.db2.gz BSSBBWAJIGMPLP-GOEBONIOSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)COc3c(C)occc3=O)C2)C1 ZINC001041460661 781561749 /nfs/dbraw/zinc/56/17/49/781561749.db2.gz FYMOGXOSYKTNDQ-SFHVURJKSA-N 1 1 330.384 0.885 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCCCS3(=O)=O)C2)C1 ZINC001041480899 781601781 /nfs/dbraw/zinc/60/17/81/781601781.db2.gz XEBKEBCOXQVEID-INIZCTEOSA-N 1 1 341.477 0.522 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001041504283 781649428 /nfs/dbraw/zinc/64/94/28/781649428.db2.gz CWYBLGYBUITQDV-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001041505183 781651888 /nfs/dbraw/zinc/65/18/88/781651888.db2.gz JMWFXDREDHEANX-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNc3ncccc3C#N)C2)C1 ZINC001041505015 781651981 /nfs/dbraw/zinc/65/19/81/781651981.db2.gz IFJISROKAVOSHN-HZPDHXFCSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNc3nccnc3C#N)C2)C1 ZINC001041506990 781656208 /nfs/dbraw/zinc/65/62/08/781656208.db2.gz WFEVWWZLQSORGW-KGLIPLIRSA-N 1 1 344.419 0.329 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCCS3(=O)=O)C2)C1 ZINC001041510165 781667119 /nfs/dbraw/zinc/66/71/19/781667119.db2.gz VDHABJVQBUGLME-DOTOQJQBSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C(F)(F)F)c2C)C1 ZINC001077776114 781676688 /nfs/dbraw/zinc/67/66/88/781676688.db2.gz DQIDASMODJDNQE-NXEZZACHSA-N 1 1 330.310 0.535 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001077838512 781800436 /nfs/dbraw/zinc/80/04/36/781800436.db2.gz ZLMHSJJSZMYLNW-ZIAGYGMSSA-N 1 1 327.388 0.373 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001077838512 781800446 /nfs/dbraw/zinc/80/04/46/781800446.db2.gz ZLMHSJJSZMYLNW-ZIAGYGMSSA-N 1 1 327.388 0.373 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)cc1C#N ZINC001041616677 781862277 /nfs/dbraw/zinc/86/22/77/781862277.db2.gz MUNQGSZQHNJWNN-SFHVURJKSA-N 1 1 342.399 0.477 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001077883251 781871152 /nfs/dbraw/zinc/87/11/52/781871152.db2.gz MOKMKOLVVBAWIO-ZQIUZPCESA-N 1 1 325.453 0.809 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCCO1 ZINC001039908148 783257614 /nfs/dbraw/zinc/25/76/14/783257614.db2.gz RPOZRHPWYBLNOV-KGLIPLIRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(c3ccnc(C#N)n3)CCCO2)C1 ZINC001039914876 783273752 /nfs/dbraw/zinc/27/37/52/783273752.db2.gz CRJKTBFMMRRVQA-KBPBESRZSA-N 1 1 344.419 0.011 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001039986512 783358237 /nfs/dbraw/zinc/35/82/37/783358237.db2.gz CTYMFESKDMVGJG-CRAIPNDOSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCCS3(=O)=O)C2)CC1 ZINC001040790489 783446067 /nfs/dbraw/zinc/44/60/67/783446067.db2.gz WLNCKFPHDJYKFQ-HNNXBMFYSA-N 1 1 338.473 0.901 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC3(C2)CCN(CC#N)CC3)C1 ZINC001040817182 783496512 /nfs/dbraw/zinc/49/65/12/783496512.db2.gz NGZOLWPCPNBGQZ-INIZCTEOSA-N 1 1 334.464 0.934 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC3(C2)CCN(CC#N)CC3)C1 ZINC001040817182 783496514 /nfs/dbraw/zinc/49/65/14/783496514.db2.gz NGZOLWPCPNBGQZ-INIZCTEOSA-N 1 1 334.464 0.934 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@@H]1n1ccnn1 ZINC001070183066 783610657 /nfs/dbraw/zinc/61/06/57/783610657.db2.gz NRMOBFDUNTXIQH-KGLIPLIRSA-N 1 1 347.810 0.784 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC001070204358 783651852 /nfs/dbraw/zinc/65/18/52/783651852.db2.gz XFAVOQBZCNHMEO-KGLIPLIRSA-N 1 1 336.436 0.412 20 30 ECEDMO CC#CCCCC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070207352 783657830 /nfs/dbraw/zinc/65/78/30/783657830.db2.gz SYGZNCCHDMWKNT-MRXNPFEDSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207968 783659122 /nfs/dbraw/zinc/65/91/22/783659122.db2.gz YDUWTMYPUDVEBD-ZACQAIPSSA-N 1 1 344.463 0.231 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207968 783659127 /nfs/dbraw/zinc/65/91/27/783659127.db2.gz YDUWTMYPUDVEBD-ZACQAIPSSA-N 1 1 344.463 0.231 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@@H]1n1ccnn1 ZINC001070225952 783694842 /nfs/dbraw/zinc/69/48/42/783694842.db2.gz FVRBWGVUFNOKPQ-CVEARBPZSA-N 1 1 335.371 0.214 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 ZINC001070232884 783708454 /nfs/dbraw/zinc/70/84/54/783708454.db2.gz UIYZJRWLSHUDED-CQSZACIVSA-N 1 1 338.452 0.660 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCOCC1 ZINC001070254677 783751203 /nfs/dbraw/zinc/75/12/03/783751203.db2.gz STHAECRHULAPFD-CVEARBPZSA-N 1 1 349.475 0.625 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2conc2C)C[C@@H]1n1ccnn1 ZINC001070264540 783767250 /nfs/dbraw/zinc/76/72/50/783767250.db2.gz RQAHMFJJVSXVHU-OLZOCXBDSA-N 1 1 336.783 0.982 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2nccc2C)C[C@@H]1n1ccnn1 ZINC001070289516 783794580 /nfs/dbraw/zinc/79/45/80/783794580.db2.gz GTHUAMAUOAHEFK-KGLIPLIRSA-N 1 1 349.826 0.577 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@@H]1n1ccnn1 ZINC001070303398 783806990 /nfs/dbraw/zinc/80/69/90/783806990.db2.gz VHXAQRMTUZYNKY-IPYPFGDCSA-N 1 1 339.827 0.799 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001070311233 783817107 /nfs/dbraw/zinc/81/71/07/783817107.db2.gz SZLGXBBKHHZKJL-OLZOCXBDSA-N 1 1 329.408 0.507 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(n2ncc3c2CN(CC#N)C3)CC1 ZINC001070344633 783851368 /nfs/dbraw/zinc/85/13/68/783851368.db2.gz ULKCLBGZJTZYCQ-INIZCTEOSA-N 1 1 342.447 0.980 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2C[C@H]2CCc3ncnn32)c1 ZINC001038147268 783917517 /nfs/dbraw/zinc/91/75/17/783917517.db2.gz VRHFROBUFKIZSY-CHWSQXEVSA-N 1 1 325.376 0.469 20 30 ECEDMO C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ncn[nH]2)CC1 ZINC001070380547 783918237 /nfs/dbraw/zinc/91/82/37/783918237.db2.gz LXELLEONBZUFRS-HIFRSBDPSA-N 1 1 346.435 0.470 20 30 ECEDMO C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2nc[nH]n2)CC1 ZINC001070380547 783918239 /nfs/dbraw/zinc/91/82/39/783918239.db2.gz LXELLEONBZUFRS-HIFRSBDPSA-N 1 1 346.435 0.470 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCN2C)C1 ZINC001070400162 783968716 /nfs/dbraw/zinc/96/87/16/783968716.db2.gz SJYBQZVXVSNVIB-GDBMZVCRSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCN2C)C1 ZINC001070400162 783968723 /nfs/dbraw/zinc/96/87/23/783968723.db2.gz SJYBQZVXVSNVIB-GDBMZVCRSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCSC)C1 ZINC001070402275 783973878 /nfs/dbraw/zinc/97/38/78/783973878.db2.gz GPRTUEZOEPADEH-CABCVRRESA-N 1 1 337.489 0.944 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCSC)C1 ZINC001070402275 783973884 /nfs/dbraw/zinc/97/38/84/783973884.db2.gz GPRTUEZOEPADEH-CABCVRRESA-N 1 1 337.489 0.944 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001070403310 783976488 /nfs/dbraw/zinc/97/64/88/783976488.db2.gz PPLVNIMRWQLHDO-KGLIPLIRSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001070403254 783976601 /nfs/dbraw/zinc/97/66/01/783976601.db2.gz OLNSTTQWKLNFAC-ZBFHGGJFSA-N 1 1 345.447 0.169 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001070403050 783978082 /nfs/dbraw/zinc/97/80/82/783978082.db2.gz JDPFMMCSLCGUNW-ZIAGYGMSSA-N 1 1 345.447 0.918 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001070404797 783982023 /nfs/dbraw/zinc/98/20/23/783982023.db2.gz OZFSTAJNVZZPLI-VXGBXAGGSA-N 1 1 342.403 0.710 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ncn(C)n2)C1 ZINC001070407787 783991534 /nfs/dbraw/zinc/99/15/34/783991534.db2.gz JQGHQYXAEUTUAE-LBPRGKRZSA-N 1 1 329.408 0.834 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001070408086 783993299 /nfs/dbraw/zinc/99/32/99/783993299.db2.gz MHXWNWBFDRUYFL-AAEUAGOBSA-N 1 1 333.392 0.500 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ncn(C)n2)C1 ZINC001070408494 783994379 /nfs/dbraw/zinc/99/43/79/783994379.db2.gz UHNJPCVTLDJKFI-LBPRGKRZSA-N 1 1 327.392 0.281 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1 ZINC001070411719 784001129 /nfs/dbraw/zinc/00/11/29/784001129.db2.gz WYPGIJCYNDGPOV-BMFZPTHFSA-N 1 1 348.447 0.789 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CCN(CC#N)C2)O1 ZINC001070412513 784005737 /nfs/dbraw/zinc/00/57/37/784005737.db2.gz BPVHAFYLWJKCEM-UMVBOHGHSA-N 1 1 346.435 0.058 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CCN(CC#N)C2)O1 ZINC001070412513 784005745 /nfs/dbraw/zinc/00/57/45/784005745.db2.gz BPVHAFYLWJKCEM-UMVBOHGHSA-N 1 1 346.435 0.058 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001070420343 784029303 /nfs/dbraw/zinc/02/93/03/784029303.db2.gz XCGPDWUSDAOWLF-JSGCOSHPSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001070421533 784031917 /nfs/dbraw/zinc/03/19/17/784031917.db2.gz OPXHNIWYGFMRFX-DZGCQCFKSA-N 1 1 343.431 0.317 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001070422882 784035343 /nfs/dbraw/zinc/03/53/43/784035343.db2.gz KUXRJJLHYPKWQL-WCQYABFASA-N 1 1 332.408 0.073 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001070423255 784037117 /nfs/dbraw/zinc/03/71/17/784037117.db2.gz UORSKSVWBKNJFC-TZMCWYRMSA-N 1 1 346.435 0.463 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001070424583 784039879 /nfs/dbraw/zinc/03/98/79/784039879.db2.gz OXZIBIYEFDGKQP-BNOWGMLFSA-N 1 1 331.420 0.513 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(CC)nn2)C1 ZINC001070430941 784050877 /nfs/dbraw/zinc/05/08/77/784050877.db2.gz HXWKMXRGQJFURM-GFCCVEGCSA-N 1 1 329.408 0.926 20 30 ECEDMO C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070432856 784058514 /nfs/dbraw/zinc/05/85/14/784058514.db2.gz SLOXLCCZNIYUGS-AWEZNQCLSA-N 1 1 327.432 0.544 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cnccn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441638 784082672 /nfs/dbraw/zinc/08/26/72/784082672.db2.gz ZRFKAYCSYVZRHW-ZDUSSCGKSA-N 1 1 339.403 0.631 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cncnc1)C[C@H]2c1nnc(C)[nH]1 ZINC001070444346 784094117 /nfs/dbraw/zinc/09/41/17/784094117.db2.gz OELVTIIXZAWNOM-AWEZNQCLSA-N 1 1 339.403 0.631 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@]1(C)CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448980 784106591 /nfs/dbraw/zinc/10/65/91/784106591.db2.gz HOWOAKBSVMCSQM-RHSMWYFYSA-N 1 1 345.447 0.954 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ccncn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070450387 784109594 /nfs/dbraw/zinc/10/95/94/784109594.db2.gz DCZBKGRVVCTGFT-ZDUSSCGKSA-N 1 1 339.403 0.631 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001070476279 784158030 /nfs/dbraw/zinc/15/80/30/784158030.db2.gz FTVOBTHATSZDOQ-IVMMDQJWSA-N 1 1 341.419 0.397 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccco2)CC1 ZINC001070938376 784165500 /nfs/dbraw/zinc/16/55/00/784165500.db2.gz QKHWLRZVGCDQNJ-UHFFFAOYSA-N 1 1 331.416 0.886 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccco2)CC1 ZINC001070938376 784165504 /nfs/dbraw/zinc/16/55/04/784165504.db2.gz QKHWLRZVGCDQNJ-UHFFFAOYSA-N 1 1 331.416 0.886 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(C)c2nccnc2C#N)CC1 ZINC001068727031 791005614 /nfs/dbraw/zinc/00/56/14/791005614.db2.gz BNMKXDWDEZALGF-UKRRQHHQSA-N 1 1 342.447 0.973 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cn(C)cn1 ZINC001070508381 784205724 /nfs/dbraw/zinc/20/57/24/784205724.db2.gz GENKEFDPSJPWTD-DOTOQJQBSA-N 1 1 341.459 0.566 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(C)c2cnc(C#N)cn2)CC1 ZINC001068727260 791006525 /nfs/dbraw/zinc/00/65/25/791006525.db2.gz IWDFLODYSBAAEW-XJKSGUPXSA-N 1 1 342.447 0.973 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001070533346 784238638 /nfs/dbraw/zinc/23/86/38/784238638.db2.gz SWDVLMMAVFAYRE-CVEARBPZSA-N 1 1 347.463 0.887 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001070965564 784251366 /nfs/dbraw/zinc/25/13/66/784251366.db2.gz INHFNIUMPZOQJD-YJBOKZPZSA-N 1 1 335.448 0.640 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccncn2)CC1 ZINC001070968011 784258811 /nfs/dbraw/zinc/25/88/11/784258811.db2.gz JEWUWJMRGJLNRW-UHFFFAOYSA-N 1 1 345.447 0.636 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC001070968273 784261208 /nfs/dbraw/zinc/26/12/08/784261208.db2.gz WZAHHSVFTQHIMD-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC001070968273 784261211 /nfs/dbraw/zinc/26/12/11/784261211.db2.gz WZAHHSVFTQHIMD-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO Cn1cnc([C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2NCC#N)c1 ZINC001070553886 784265240 /nfs/dbraw/zinc/26/52/40/784265240.db2.gz LBCCOOQVPWEXKQ-IJEWVQPXSA-N 1 1 330.436 0.169 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)ncn2C)CC1 ZINC001070971674 784274271 /nfs/dbraw/zinc/27/42/71/784274271.db2.gz MBWZHSOPVZOICB-UHFFFAOYSA-N 1 1 331.420 0.016 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)ncn2C)CC1 ZINC001070971674 784274276 /nfs/dbraw/zinc/27/42/76/784274276.db2.gz MBWZHSOPVZOICB-UHFFFAOYSA-N 1 1 331.420 0.016 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(OCC)n[nH]2)CC1 ZINC001070972983 784281866 /nfs/dbraw/zinc/28/18/66/784281866.db2.gz XCRJGJYKFRVCRD-UHFFFAOYSA-N 1 1 349.435 0.649 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(OCC)n[nH]2)CC1 ZINC001070972983 784281871 /nfs/dbraw/zinc/28/18/71/784281871.db2.gz XCRJGJYKFRVCRD-UHFFFAOYSA-N 1 1 349.435 0.649 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(=O)NCC[N@@H+](C[C@@H](C)OC)CC1 ZINC001070985089 784325475 /nfs/dbraw/zinc/32/54/75/784325475.db2.gz GEKPBPLXYUNNKZ-CQSZACIVSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(=O)NCC[N@H+](C[C@@H](C)OC)CC1 ZINC001070985089 784325482 /nfs/dbraw/zinc/32/54/82/784325482.db2.gz GEKPBPLXYUNNKZ-CQSZACIVSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2cncnc2)CC1 ZINC001070991322 784341217 /nfs/dbraw/zinc/34/12/17/784341217.db2.gz MXKWQNPVXLGORF-HNNXBMFYSA-N 1 1 343.431 0.254 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2cncnc2)CC1 ZINC001070991322 784341225 /nfs/dbraw/zinc/34/12/25/784341225.db2.gz MXKWQNPVXLGORF-HNNXBMFYSA-N 1 1 343.431 0.254 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccn(C)c2C)CC1 ZINC001070997732 784361666 /nfs/dbraw/zinc/36/16/66/784361666.db2.gz WHXOOTGVVUTHJT-UHFFFAOYSA-N 1 1 330.432 0.621 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccn(C)c2C)CC1 ZINC001070997732 784361669 /nfs/dbraw/zinc/36/16/69/784361669.db2.gz WHXOOTGVVUTHJT-UHFFFAOYSA-N 1 1 330.432 0.621 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(CCC)nn2)CC1 ZINC001071011650 784406895 /nfs/dbraw/zinc/40/68/95/784406895.db2.gz NXWZGXSFVKOGQC-UHFFFAOYSA-N 1 1 348.451 0.528 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(CCC)nn2)CC1 ZINC001071011650 784406900 /nfs/dbraw/zinc/40/69/00/784406900.db2.gz NXWZGXSFVKOGQC-UHFFFAOYSA-N 1 1 348.451 0.528 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cnccn2)CC1 ZINC001071012996 784411814 /nfs/dbraw/zinc/41/18/14/784411814.db2.gz NAMKXWXZWDZQTR-UHFFFAOYSA-N 1 1 345.447 0.636 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2COC(=O)N2)n1 ZINC001070602004 784419572 /nfs/dbraw/zinc/41/95/72/784419572.db2.gz GKTFXYXVUYAYBL-XQQFMLRXSA-N 1 1 349.391 0.205 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC001071020763 784439061 /nfs/dbraw/zinc/43/90/61/784439061.db2.gz UITLTNDSDASPGA-UHFFFAOYSA-N 1 1 342.443 0.606 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC001071020763 784439065 /nfs/dbraw/zinc/43/90/65/784439065.db2.gz UITLTNDSDASPGA-UHFFFAOYSA-N 1 1 342.443 0.606 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001070623096 784451661 /nfs/dbraw/zinc/45/16/61/784451661.db2.gz HUAVEDVZZRYVNY-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC001071025680 784453847 /nfs/dbraw/zinc/45/38/47/784453847.db2.gz QSJOCZAJBSXPLE-OAHLLOKOSA-N 1 1 345.447 0.197 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC001071025680 784453852 /nfs/dbraw/zinc/45/38/52/784453852.db2.gz QSJOCZAJBSXPLE-OAHLLOKOSA-N 1 1 345.447 0.197 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001070630555 784462709 /nfs/dbraw/zinc/46/27/09/784462709.db2.gz WABYQGQMWSMLDC-BFHYXJOUSA-N 1 1 341.419 0.397 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)C[C@@H](C)O2 ZINC001071129831 784571679 /nfs/dbraw/zinc/57/16/79/784571679.db2.gz RNYWYZLVRKOPMS-CRAIPNDOSA-N 1 1 329.400 0.649 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@@H](C)O2 ZINC001071133663 784577397 /nfs/dbraw/zinc/57/73/97/784577397.db2.gz FEGLPZHQPUAGRP-CRAIPNDOSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1)C[C@@H](C)O2 ZINC001071142608 784593205 /nfs/dbraw/zinc/59/32/05/784593205.db2.gz RIVXUTJBTKESEO-CRAIPNDOSA-N 1 1 330.432 0.678 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C)c1C)C[C@H](C)O2 ZINC001071149473 784606497 /nfs/dbraw/zinc/60/64/97/784606497.db2.gz MURRQTFRSZNMML-SUMWQHHRSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C)c1C)C[C@@H](C)O2 ZINC001071149678 784607688 /nfs/dbraw/zinc/60/76/88/784607688.db2.gz PLJIQYVEUIDARC-CXAGYDPISA-N 1 1 331.420 0.452 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCOCC1)C[C@@H](C)O2 ZINC001071156861 784621354 /nfs/dbraw/zinc/62/13/54/784621354.db2.gz NTPDDXAIJNGIJL-SJLPKXTDSA-N 1 1 337.464 0.587 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(CC)n1)C[C@@H](C)O2 ZINC001071164850 784637461 /nfs/dbraw/zinc/63/74/61/784637461.db2.gz TWDVNKKDPZVQIG-RHSMWYFYSA-N 1 1 331.420 0.627 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@@H](C)O2 ZINC001071166555 784641595 /nfs/dbraw/zinc/64/15/95/784641595.db2.gz JYYBBGQQUMFAJV-CXAGYDPISA-N 1 1 331.420 0.371 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COc1cc(C)on1)C[C@H](C)O2 ZINC001071175588 784663872 /nfs/dbraw/zinc/66/38/72/784663872.db2.gz HEYQLGAPIAOBPG-WMLDXEAASA-N 1 1 333.388 0.687 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071183044 784682705 /nfs/dbraw/zinc/68/27/05/784682705.db2.gz INHTVLORIMRCTB-AUUYWEPGSA-N 1 1 341.411 0.724 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCNC1=O)C[C@@H](C)O2 ZINC001071182929 784683086 /nfs/dbraw/zinc/68/30/86/784683086.db2.gz GMZYSESILHKYQJ-RHSMWYFYSA-N 1 1 336.436 0.280 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@@H](C)O2 ZINC001071185839 784689332 /nfs/dbraw/zinc/68/93/32/784689332.db2.gz MPUYHGPQRLMSDL-CRAIPNDOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@@H](C)O2 ZINC001071191618 784701529 /nfs/dbraw/zinc/70/15/29/784701529.db2.gz HMSFHBKGIZENPA-KDOFPFPSSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccc(=O)[nH]c1)C[C@@H](C)O2 ZINC001071192026 784703597 /nfs/dbraw/zinc/70/35/97/784703597.db2.gz LHSGBAHJEUTMNJ-KDOFPFPSSA-N 1 1 329.400 0.655 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@H](C)O2 ZINC001071193164 784706213 /nfs/dbraw/zinc/70/62/13/784706213.db2.gz XSZYRMGLKTVHSA-SCLBCKFNSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@@H](C)O2 ZINC001071203826 784728553 /nfs/dbraw/zinc/72/85/53/784728553.db2.gz ICJVNISYKPGCEV-CRAIPNDOSA-N 1 1 346.431 0.514 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@H](C)O2 ZINC001071211573 784746083 /nfs/dbraw/zinc/74/60/83/784746083.db2.gz KELOTFVDFDCQJD-HNAYVOBHSA-N 1 1 343.427 0.714 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CCO)C3)C2)c1 ZINC001071211708 784746792 /nfs/dbraw/zinc/74/67/92/784746792.db2.gz MOXDDHJXVUIBLM-KDOFPFPSSA-N 1 1 329.400 0.361 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cc1OC)C[C@@H](C)O2 ZINC001071211835 784748100 /nfs/dbraw/zinc/74/81/00/784748100.db2.gz OOBARHATGODVPT-ACJLOTCBSA-N 1 1 345.399 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)C[C@H](C)O2 ZINC001071216334 784755998 /nfs/dbraw/zinc/75/59/98/784755998.db2.gz PCYSDZRAVBOSFB-BBRMVZONSA-N 1 1 336.823 0.862 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)C[C@H](C)O2 ZINC001071216337 784757185 /nfs/dbraw/zinc/75/71/85/784757185.db2.gz PCYSDZRAVBOSFB-XJKSGUPXSA-N 1 1 336.823 0.862 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)CC1 ZINC001070859906 784759183 /nfs/dbraw/zinc/75/91/83/784759183.db2.gz PMYOXHGJIREDPR-QGZVFWFLSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cncn1C)C[C@H](C)O2 ZINC001071226092 784783702 /nfs/dbraw/zinc/78/37/02/784783702.db2.gz UZDUMTDLHHVMSF-MAUKXSAKSA-N 1 1 330.432 0.678 20 30 ECEDMO CC#CCN1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227335 784785398 /nfs/dbraw/zinc/78/53/98/784785398.db2.gz DFECNMORLSJMCY-LPHOPBHVSA-N 1 1 331.460 0.797 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CCCO)C3)C2)nc1 ZINC001071230550 784792021 /nfs/dbraw/zinc/79/20/21/784792021.db2.gz IXMPXLMDSMWZJS-DNVCBOLYSA-N 1 1 343.427 0.751 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CCO)C3)C2)cn1 ZINC001071230899 784793570 /nfs/dbraw/zinc/79/35/70/784793570.db2.gz KYLPUAIUFAGGNZ-KSSFIOAISA-N 1 1 329.400 0.361 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@H](C)O2 ZINC001071231402 784795184 /nfs/dbraw/zinc/79/51/84/784795184.db2.gz QAELHOCPHYOESC-KSSFIOAISA-N 1 1 331.416 0.877 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CCO)C3)C2)nc1 ZINC001071231732 784796334 /nfs/dbraw/zinc/79/63/34/784796334.db2.gz UAHNVKKIXWOAJA-RDTXWAMCSA-N 1 1 329.400 0.361 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@@H](C)O2 ZINC001071232165 784796462 /nfs/dbraw/zinc/79/64/62/784796462.db2.gz ZYLVXGMKMKKFMZ-BEFAXECRSA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@@H](C)O2 ZINC001071238395 784807755 /nfs/dbraw/zinc/80/77/55/784807755.db2.gz MEQSQTDZTKUWCT-RDTXWAMCSA-N 1 1 344.415 0.109 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1c(C)csc1=O)C[C@H](C)O2 ZINC001071239139 784810023 /nfs/dbraw/zinc/81/00/23/784810023.db2.gz WUDTXAOEADQLNU-YOEHRIQHSA-N 1 1 349.456 0.543 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccnc1C)C[C@@H](C)O2 ZINC001071240711 784814487 /nfs/dbraw/zinc/81/44/87/784814487.db2.gz JTJWUQKVFIGMOZ-QAPCUYQASA-N 1 1 330.432 0.907 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@H](C)O2 ZINC001071241623 784817414 /nfs/dbraw/zinc/81/74/14/784817414.db2.gz YBXHLKYRVHVOOQ-SCLBCKFNSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)C[C@@H](C)O2 ZINC001071246593 784828019 /nfs/dbraw/zinc/82/80/19/784828019.db2.gz XXVOAGYLSIIXFO-FZKQIMNGSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)C[C@@H](C)O2 ZINC001071246593 784828029 /nfs/dbraw/zinc/82/80/29/784828029.db2.gz XXVOAGYLSIIXFO-FZKQIMNGSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@@H](C)O2 ZINC001071248464 784830622 /nfs/dbraw/zinc/83/06/22/784830622.db2.gz LYKLJJBQENFQKQ-QAPCUYQASA-N 1 1 345.447 0.463 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)C(=O)C1 ZINC001071253061 784843022 /nfs/dbraw/zinc/84/30/22/784843022.db2.gz FYQKLEVZQDKJAH-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)C(=O)C1 ZINC001071253061 784843028 /nfs/dbraw/zinc/84/30/28/784843028.db2.gz FYQKLEVZQDKJAH-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)CC(C)(C)O)C2)C(=O)C1 ZINC001071263739 784880794 /nfs/dbraw/zinc/88/07/94/784880794.db2.gz DRNVZNYRLYFMFI-HNNXBMFYSA-N 1 1 337.464 0.859 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)CC(C)(C)O)C2)C(=O)C1 ZINC001071263739 784880799 /nfs/dbraw/zinc/88/07/99/784880799.db2.gz DRNVZNYRLYFMFI-HNNXBMFYSA-N 1 1 337.464 0.859 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C(=O)C1 ZINC001071267053 784891517 /nfs/dbraw/zinc/89/15/17/784891517.db2.gz CWQMICHUHADTFS-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCN1CCN([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C(=O)C1 ZINC001071271946 784905531 /nfs/dbraw/zinc/90/55/31/784905531.db2.gz BKSXQCGACCIBKA-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071340906 784980768 /nfs/dbraw/zinc/98/07/68/784980768.db2.gz VQRWKZZAQNROGA-NVXWUHKLSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CC#Cc1ccccc1 ZINC001071340906 784980775 /nfs/dbraw/zinc/98/07/75/784980775.db2.gz VQRWKZZAQNROGA-NVXWUHKLSA-N 1 1 338.415 0.694 20 30 ECEDMO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001068751917 791072199 /nfs/dbraw/zinc/07/21/99/791072199.db2.gz FCGJQIFESLQIPK-AWEZNQCLSA-N 1 1 332.404 0.644 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc3c2nnn3C)CC[C@@H]1C ZINC001071766466 785074276 /nfs/dbraw/zinc/07/42/76/785074276.db2.gz WCYUNIMQBJXQFQ-STQMWFEESA-N 1 1 326.404 0.969 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071430927 785077091 /nfs/dbraw/zinc/07/70/91/785077091.db2.gz HUMLRPQLPDISII-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CC(=O)NC1CC1 ZINC001071430927 785077094 /nfs/dbraw/zinc/07/70/94/785077094.db2.gz HUMLRPQLPDISII-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CCN1CCNC1=O ZINC001071438372 785087112 /nfs/dbraw/zinc/08/71/12/785087112.db2.gz OKMGQYBHALGJEZ-JSGCOSHPSA-N 1 1 344.419 0.494 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001071879468 785262626 /nfs/dbraw/zinc/26/26/26/785262626.db2.gz DDOKTEIYESJVNO-HIFRSBDPSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001071879468 785262634 /nfs/dbraw/zinc/26/26/34/785262634.db2.gz DDOKTEIYESJVNO-HIFRSBDPSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001068763936 791097074 /nfs/dbraw/zinc/09/70/74/791097074.db2.gz FYOSGTZXGOHKQR-JKSUJKDBSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C ZINC001071548743 785285175 /nfs/dbraw/zinc/28/51/75/785285175.db2.gz LCKYAJYDCYYZHE-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001068764097 791097723 /nfs/dbraw/zinc/09/77/23/791097723.db2.gz JJZCLEBKRWOHSL-CABCVRRESA-N 1 1 347.459 0.616 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001071918843 785333265 /nfs/dbraw/zinc/33/32/65/785333265.db2.gz TYDAOUHYDZIUPY-DOMZBBRYSA-N 1 1 331.420 0.805 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001071918937 785333879 /nfs/dbraw/zinc/33/38/79/785333879.db2.gz UUXJXLXUTHOBJC-SWLSCSKDSA-N 1 1 331.420 0.803 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC[C@@H]1C ZINC001071930537 785354367 /nfs/dbraw/zinc/35/43/67/785354367.db2.gz GKGNVMFNCNXREB-WCQYABFASA-N 1 1 332.404 0.731 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C ZINC001071972179 785446441 /nfs/dbraw/zinc/44/64/41/785446441.db2.gz SUUNADFUHBFLLI-KBPBESRZSA-N 1 1 336.436 0.864 20 30 ECEDMO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071658267 785463931 /nfs/dbraw/zinc/46/39/31/785463931.db2.gz MNKVETFXJPEOEI-GXTWGEPZSA-N 1 1 338.477 0.691 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@H]1C ZINC001071670772 785490857 /nfs/dbraw/zinc/49/08/57/785490857.db2.gz REIDUZRUFUQKNR-KGLIPLIRSA-N 1 1 332.404 0.106 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)CC[C@H]1C ZINC001072001533 785507437 /nfs/dbraw/zinc/50/74/37/785507437.db2.gz DSEXIONELFDOIK-YPMHNXCESA-N 1 1 325.368 0.786 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)CC[C@H]1C ZINC001072001533 785507441 /nfs/dbraw/zinc/50/74/41/785507441.db2.gz DSEXIONELFDOIK-YPMHNXCESA-N 1 1 325.368 0.786 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)CC[C@@H]1C ZINC001071696208 785545531 /nfs/dbraw/zinc/54/55/31/785545531.db2.gz XBWGUHFDSJACAU-JSGCOSHPSA-N 1 1 326.404 0.969 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@H]1C ZINC001071721218 785584405 /nfs/dbraw/zinc/58/44/05/785584405.db2.gz NLOLBUCHUTUUJT-ZIAGYGMSSA-N 1 1 329.404 0.651 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@@H]1C ZINC001071724967 785594399 /nfs/dbraw/zinc/59/43/99/785594399.db2.gz OHUVXDXCAXPOBL-AAEUAGOBSA-N 1 1 342.407 0.300 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@@H]1C ZINC001071724967 785594403 /nfs/dbraw/zinc/59/44/03/785594403.db2.gz OHUVXDXCAXPOBL-AAEUAGOBSA-N 1 1 342.407 0.300 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@@H]1C ZINC001071724969 785594411 /nfs/dbraw/zinc/59/44/11/785594411.db2.gz OHUVXDXCAXPOBL-WCQYABFASA-N 1 1 342.407 0.300 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@@H]1C ZINC001071724969 785594417 /nfs/dbraw/zinc/59/44/17/785594417.db2.gz OHUVXDXCAXPOBL-WCQYABFASA-N 1 1 342.407 0.300 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001072479205 786247192 /nfs/dbraw/zinc/24/71/92/786247192.db2.gz UFMUIBLSDFRUKB-DOMZBBRYSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)C[C@H]4CCCO4)C3)C2)C1=O ZINC001072502802 786291460 /nfs/dbraw/zinc/29/14/60/786291460.db2.gz KHSRFCVRUSHNCN-CVEARBPZSA-N 1 1 347.459 0.877 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001074239474 786484629 /nfs/dbraw/zinc/48/46/29/786484629.db2.gz GCMIHCYEPWSHRI-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@@H]21 ZINC001074273544 786562664 /nfs/dbraw/zinc/56/26/64/786562664.db2.gz LAQYVOMDSXUHSF-HOTGVXAUSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@@H]21 ZINC001074273544 786562666 /nfs/dbraw/zinc/56/26/66/786562666.db2.gz LAQYVOMDSXUHSF-HOTGVXAUSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001073551639 786563522 /nfs/dbraw/zinc/56/35/22/786563522.db2.gz TWLVNGMYFGJTJW-NVXWUHKLSA-N 1 1 348.491 0.505 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001073551416 786563534 /nfs/dbraw/zinc/56/35/34/786563534.db2.gz MFRXCDSEWGOREZ-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001073579875 786672493 /nfs/dbraw/zinc/67/24/93/786672493.db2.gz DSOUELRUATXAPC-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 ZINC001074348978 786729404 /nfs/dbraw/zinc/72/94/04/786729404.db2.gz VIHKCRZGLQWBCA-CABCVRRESA-N 1 1 331.420 0.832 20 30 ECEDMO C=C(C)CN1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001074360267 786751720 /nfs/dbraw/zinc/75/17/20/786751720.db2.gz MPQMPVMVLJBCJU-DLBZAZTESA-N 1 1 337.464 0.587 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001073605210 786759074 /nfs/dbraw/zinc/75/90/74/786759074.db2.gz FDPVMFFSMXTCGQ-ZDUSSCGKSA-N 1 1 334.424 0.272 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001073605210 786759077 /nfs/dbraw/zinc/75/90/77/786759077.db2.gz FDPVMFFSMXTCGQ-ZDUSSCGKSA-N 1 1 334.424 0.272 20 30 ECEDMO CC#CCN1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001074362926 786760337 /nfs/dbraw/zinc/76/03/37/786760337.db2.gz LXEIHJTZKHIHOK-DLBZAZTESA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001073620979 786787571 /nfs/dbraw/zinc/78/75/71/786787571.db2.gz SWAPNZPASGDZMF-AWEZNQCLSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625233 786797191 /nfs/dbraw/zinc/79/71/91/786797191.db2.gz CXBMIZOFBFQGSE-CVEARBPZSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073630440 786816042 /nfs/dbraw/zinc/81/60/42/786816042.db2.gz VNDINTVBMRCSKR-LSDHHAIUSA-N 1 1 344.477 0.737 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073630440 786816060 /nfs/dbraw/zinc/81/60/60/786816060.db2.gz VNDINTVBMRCSKR-LSDHHAIUSA-N 1 1 344.477 0.737 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ncccc2NC(C)=O)C1 ZINC001073630806 786817552 /nfs/dbraw/zinc/81/75/52/786817552.db2.gz FSTFIUKUFWYOOG-CQSZACIVSA-N 1 1 330.388 0.494 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ncccc2NC(C)=O)C1 ZINC001073630806 786817566 /nfs/dbraw/zinc/81/75/66/786817566.db2.gz FSTFIUKUFWYOOG-CQSZACIVSA-N 1 1 330.388 0.494 20 30 ECEDMO C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001073633857 786825331 /nfs/dbraw/zinc/82/53/31/786825331.db2.gz IIECBKKBRXXPBU-MSOLQXFVSA-N 1 1 349.475 0.470 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001073633926 786828313 /nfs/dbraw/zinc/82/83/13/786828313.db2.gz JMZXRYJHFSKIOC-LBPRGKRZSA-N 1 1 345.403 0.681 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@@H]21 ZINC001074393194 786837862 /nfs/dbraw/zinc/83/78/62/786837862.db2.gz WWFNPGDQKAHRBN-LSDHHAIUSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@@H]21 ZINC001074393194 786837868 /nfs/dbraw/zinc/83/78/68/786837868.db2.gz WWFNPGDQKAHRBN-LSDHHAIUSA-N 1 1 334.420 0.920 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3nccnc3c2)C1 ZINC001073637412 786839774 /nfs/dbraw/zinc/83/97/74/786839774.db2.gz YPJJPZBNMRRGKI-OAHLLOKOSA-N 1 1 339.399 0.869 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001073660388 786900369 /nfs/dbraw/zinc/90/03/69/786900369.db2.gz CQAFMTOJHGUMHH-DLBZAZTESA-N 1 1 344.459 0.984 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC001073664666 786912824 /nfs/dbraw/zinc/91/28/24/786912824.db2.gz MDJRKAWIQFQQDH-INIZCTEOSA-N 1 1 329.400 0.630 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001073670830 786927576 /nfs/dbraw/zinc/92/75/76/786927576.db2.gz PPUZQTMEZAIZHZ-LBPRGKRZSA-N 1 1 329.360 0.117 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001073670830 786927582 /nfs/dbraw/zinc/92/75/82/786927582.db2.gz PPUZQTMEZAIZHZ-LBPRGKRZSA-N 1 1 329.360 0.117 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001073677988 786950484 /nfs/dbraw/zinc/95/04/84/786950484.db2.gz YLPADVNWOUYIIO-ZDUSSCGKSA-N 1 1 331.372 0.307 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001073677988 786950488 /nfs/dbraw/zinc/95/04/88/786950488.db2.gz YLPADVNWOUYIIO-ZDUSSCGKSA-N 1 1 331.372 0.307 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001073677919 786950526 /nfs/dbraw/zinc/95/05/26/786950526.db2.gz WFQALPHLQJTLJU-CYBMUJFWSA-N 1 1 333.388 0.860 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001073684107 786964865 /nfs/dbraw/zinc/96/48/65/786964865.db2.gz IIHWTXORFRVDKY-IRXDYDNUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)c(OC)co2)C1 ZINC001073697091 786990562 /nfs/dbraw/zinc/99/05/62/786990562.db2.gz YONVNGVCVKWZLD-ZDUSSCGKSA-N 1 1 334.372 0.492 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001073741727 787098352 /nfs/dbraw/zinc/09/83/52/787098352.db2.gz WPZZRILVFWAKME-HIFRSBDPSA-N 1 1 332.404 0.715 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001073741727 787098359 /nfs/dbraw/zinc/09/83/59/787098359.db2.gz WPZZRILVFWAKME-HIFRSBDPSA-N 1 1 332.404 0.715 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 ZINC001073742736 787100809 /nfs/dbraw/zinc/10/08/09/787100809.db2.gz DIPSKYBQKRYSEX-CYBMUJFWSA-N 1 1 333.388 0.151 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2ncn3C)C1 ZINC001073762711 787151400 /nfs/dbraw/zinc/15/14/00/787151400.db2.gz KVJCJUQMGDDCRM-ZDUSSCGKSA-N 1 1 329.404 0.975 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c(C)nn(C)c2OC)C1 ZINC001073798672 787224091 /nfs/dbraw/zinc/22/40/91/787224091.db2.gz NKHDVKABFXTZRG-CQSZACIVSA-N 1 1 334.420 0.581 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)nn(C)c2OC)C1 ZINC001073798672 787224094 /nfs/dbraw/zinc/22/40/94/787224094.db2.gz NKHDVKABFXTZRG-CQSZACIVSA-N 1 1 334.420 0.581 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)c3cc(C)[nH]n3)[C@H]2C)C1=O ZINC001074549214 787234205 /nfs/dbraw/zinc/23/42/05/787234205.db2.gz FZSXESPOQYDQEA-MELADBBJSA-N 1 1 331.420 0.698 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001073809852 787240777 /nfs/dbraw/zinc/24/07/77/787240777.db2.gz BGIWCGUWEIHCLM-LLVKDONJSA-N 1 1 346.416 0.382 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001073809852 787240782 /nfs/dbraw/zinc/24/07/82/787240782.db2.gz BGIWCGUWEIHCLM-LLVKDONJSA-N 1 1 346.416 0.382 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001073810382 787242144 /nfs/dbraw/zinc/24/21/44/787242144.db2.gz RGDDVWVIIDMLLH-JYJNAYRXSA-N 1 1 326.437 0.557 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001073821027 787266371 /nfs/dbraw/zinc/26/63/71/787266371.db2.gz ZCYOSAUTSCLNGU-CABCVRRESA-N 1 1 325.453 0.882 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001074565930 787273219 /nfs/dbraw/zinc/27/32/19/787273219.db2.gz ZFHVLHWJJRIIBB-JKSUJKDBSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 ZINC001073836352 787313528 /nfs/dbraw/zinc/31/35/28/787313528.db2.gz BOXNQJMILVWTEK-OAHLLOKOSA-N 1 1 331.420 0.532 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CNC(=O)C#CC(C)(C)C)CC2)C1 ZINC001074593156 787347560 /nfs/dbraw/zinc/34/75/60/787347560.db2.gz IUSHHZDTLDOELS-OAHLLOKOSA-N 1 1 349.475 0.457 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001073886200 787435513 /nfs/dbraw/zinc/43/55/13/787435513.db2.gz JLNLLEXIKHRSRD-AWEZNQCLSA-N 1 1 327.388 0.802 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001074634697 787462952 /nfs/dbraw/zinc/46/29/52/787462952.db2.gz KFYDRGVUMKCNLA-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001074646166 787493064 /nfs/dbraw/zinc/49/30/64/787493064.db2.gz MRQOQQOZMZIIDX-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001074707296 787649399 /nfs/dbraw/zinc/64/93/99/787649399.db2.gz XXMYLBOCFROIJU-KGLIPLIRSA-N 1 1 336.436 0.100 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001074059061 787786603 /nfs/dbraw/zinc/78/66/03/787786603.db2.gz VEGNDZFAAADBTA-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001074059061 787786611 /nfs/dbraw/zinc/78/66/11/787786611.db2.gz VEGNDZFAAADBTA-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001074063137 787795352 /nfs/dbraw/zinc/79/53/52/787795352.db2.gz MLGQTKCSHMTWAD-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nncn3C)[C@@H]2C)nn1 ZINC001074949716 788596498 /nfs/dbraw/zinc/59/64/98/788596498.db2.gz UEVPIRPSCQYXOT-AGIUHOORSA-N 1 1 344.423 0.546 20 30 ECEDMO C#CCN1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC001072746483 788702108 /nfs/dbraw/zinc/70/21/08/788702108.db2.gz PQYUQZZCUUYGSL-MSOLQXFVSA-N 1 1 345.487 0.901 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](CC)C(N)=O)C2 ZINC001072748062 788707389 /nfs/dbraw/zinc/70/73/89/788707389.db2.gz VCGTYKWDPOEWBX-ILXRZTDVSA-N 1 1 335.448 0.766 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001075070519 788848886 /nfs/dbraw/zinc/84/88/86/788848886.db2.gz YVGBEQYNZDUHPR-GDBMZVCRSA-N 1 1 346.431 0.727 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C2)C1 ZINC001072881172 789012258 /nfs/dbraw/zinc/01/22/58/789012258.db2.gz IBBUEZYFIVRMOE-UHFFFAOYSA-N 1 1 325.372 0.835 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cnc4sccn4c3=O)C2)C1 ZINC001072903210 789077205 /nfs/dbraw/zinc/07/72/05/789077205.db2.gz USCLJZSSXAXOEF-UHFFFAOYSA-N 1 1 342.424 0.927 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)C#CC3CC3)CC2)C1 ZINC001072922091 789118712 /nfs/dbraw/zinc/11/87/12/789118712.db2.gz BYSNCAUSMZQORC-OAHLLOKOSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)C#CC3CC3)CC2)C1 ZINC001072922091 789118721 /nfs/dbraw/zinc/11/87/21/789118721.db2.gz BYSNCAUSMZQORC-OAHLLOKOSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H](OC)C(C)C)C3)C2)C1=O ZINC001072944892 789148470 /nfs/dbraw/zinc/14/84/70/789148470.db2.gz NINUZSYVEQGFSC-HOTGVXAUSA-N 1 1 349.475 0.979 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](CC)C(N)=O)C3)c1 ZINC001072968680 789181326 /nfs/dbraw/zinc/18/13/26/789181326.db2.gz XKLINYMTMQINCR-HNNXBMFYSA-N 1 1 326.400 0.475 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001072978319 789201283 /nfs/dbraw/zinc/20/12/83/789201283.db2.gz OTRRDCQEAKGZPD-NWDGAFQWSA-N 1 1 327.812 0.306 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001072978319 789201292 /nfs/dbraw/zinc/20/12/92/789201292.db2.gz OTRRDCQEAKGZPD-NWDGAFQWSA-N 1 1 327.812 0.306 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)Cc4cnc[nH]4)C3)C2)C1=O ZINC001073018634 789283558 /nfs/dbraw/zinc/28/35/58/789283558.db2.gz GRAOJYYYVUFIJL-OAHLLOKOSA-N 1 1 343.431 0.273 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccn[nH]3)CC2)C1 ZINC001075387675 789314581 /nfs/dbraw/zinc/31/45/81/789314581.db2.gz BGHDXKZLPSHCTO-NVXWUHKLSA-N 1 1 330.432 0.961 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)N(C)C)C2 ZINC001073051191 789348963 /nfs/dbraw/zinc/34/89/63/789348963.db2.gz RWRZIWANUMKSPM-HOCLYGCPSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C2)C1 ZINC001073058511 789366147 /nfs/dbraw/zinc/36/61/47/789366147.db2.gz SUYOCNNXVNQIRM-UHFFFAOYSA-N 1 1 339.399 0.502 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@]4(C)CCOC4)C3)C2)C1=O ZINC001073084270 789412168 /nfs/dbraw/zinc/41/21/68/789412168.db2.gz YWKSBFPKUMZHOU-YJBOKZPZSA-N 1 1 347.459 0.734 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CCn3cnccc3=O)C2)C1 ZINC001073087145 789420393 /nfs/dbraw/zinc/42/03/93/789420393.db2.gz JORQNHYUWFXXOW-UHFFFAOYSA-N 1 1 336.823 0.920 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CCn3cnccc3=O)C2)C1 ZINC001073087145 789420397 /nfs/dbraw/zinc/42/03/97/789420397.db2.gz JORQNHYUWFXXOW-UHFFFAOYSA-N 1 1 336.823 0.920 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001073108706 789454171 /nfs/dbraw/zinc/45/41/71/789454171.db2.gz HRECKMZOMWVYAK-UHFFFAOYSA-N 1 1 334.420 0.429 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCN(C)C2=O)C3)cn1 ZINC001073135991 789508144 /nfs/dbraw/zinc/50/81/44/789508144.db2.gz VALVFMQLBNDEEJ-MRXNPFEDSA-N 1 1 338.411 0.442 20 30 ECEDMO O=C([C@@H]1CCC(=O)N1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001073136660 789509971 /nfs/dbraw/zinc/50/99/71/789509971.db2.gz WVUKLPISWMOXSU-KRWDZBQOSA-N 1 1 337.423 0.851 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001073165086 789557880 /nfs/dbraw/zinc/55/78/80/789557880.db2.gz SWPWHDZOTKOCLS-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccnn4C)[C@@H]3C2)C1=O ZINC001075609119 789562268 /nfs/dbraw/zinc/56/22/68/789562268.db2.gz XTSQTRUOXKTZLG-NUEKZKHPSA-N 1 1 343.431 0.353 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC001075616214 789574864 /nfs/dbraw/zinc/57/48/64/789574864.db2.gz MMPKLHUCCLZFGA-FRRDWIJNSA-N 1 1 347.419 0.009 20 30 ECEDMO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001075677056 789640211 /nfs/dbraw/zinc/64/02/11/789640211.db2.gz NNZCNXYOBATMOK-BBRMVZONSA-N 1 1 338.477 0.740 20 30 ECEDMO C[C@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001069221737 789673198 /nfs/dbraw/zinc/67/31/98/789673198.db2.gz VBMSXEXMEFSCCP-STQMWFEESA-N 1 1 328.420 0.656 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(CC)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001069377369 789784754 /nfs/dbraw/zinc/78/47/54/789784754.db2.gz ZPZBLDPNCVGWBL-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001073396622 789789375 /nfs/dbraw/zinc/78/93/75/789789375.db2.gz RQYOTEQATMEROD-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC001073443294 789846713 /nfs/dbraw/zinc/84/67/13/789846713.db2.gz JAPCJADBBYYQDT-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(c3nccnc3C#N)CC2)C1 ZINC001069820420 790054901 /nfs/dbraw/zinc/05/49/01/790054901.db2.gz OXYABLJOFCHGCO-AWEZNQCLSA-N 1 1 326.404 0.553 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 ZINC001069830829 790064034 /nfs/dbraw/zinc/06/40/34/790064034.db2.gz HPAFUUXKHUSJAJ-CJNGLKHVSA-N 1 1 340.431 0.799 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069892532 790161127 /nfs/dbraw/zinc/16/11/27/790161127.db2.gz CHYVROUIYJPAEF-OLZOCXBDSA-N 1 1 329.364 0.005 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069896002 790164120 /nfs/dbraw/zinc/16/41/20/790164120.db2.gz UIIJVMQWKPECAQ-CVEARBPZSA-N 1 1 343.435 0.942 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](n2ccnn2)C1 ZINC001069896582 790164704 /nfs/dbraw/zinc/16/47/04/790164704.db2.gz WXVSQHCJFSUODF-CABCVRRESA-N 1 1 329.408 0.483 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069906879 790176645 /nfs/dbraw/zinc/17/66/45/790176645.db2.gz HHVCLTWSZHVUER-KGLIPLIRSA-N 1 1 326.360 0.057 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2cccc2)[C@@H](n2ccnn2)C1 ZINC001069910443 790179237 /nfs/dbraw/zinc/17/92/37/790179237.db2.gz UWPCEWZDBLPEMZ-XHSDSOJGSA-N 1 1 326.404 0.706 20 30 ECEDMO C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069911364 790179789 /nfs/dbraw/zinc/17/97/89/790179789.db2.gz KXTRLUAMHPUEDW-DFBGVHRSSA-N 1 1 345.382 0.881 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069918237 790188330 /nfs/dbraw/zinc/18/83/30/790188330.db2.gz GPHZVTOXKBVBBE-OCCSQVGLSA-N 1 1 330.396 0.028 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069925100 790196103 /nfs/dbraw/zinc/19/61/03/790196103.db2.gz URWOGUQXRRFVHH-KGLIPLIRSA-N 1 1 329.408 0.551 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069936506 790210715 /nfs/dbraw/zinc/21/07/15/790210715.db2.gz FQPDOGJVLGMCAT-HIFRSBDPSA-N 1 1 329.408 0.897 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069936506 790210719 /nfs/dbraw/zinc/21/07/19/790210719.db2.gz FQPDOGJVLGMCAT-HIFRSBDPSA-N 1 1 329.408 0.897 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945738 790224910 /nfs/dbraw/zinc/22/49/10/790224910.db2.gz UNWCKIMPWOJNQC-KFWWJZLASA-N 1 1 341.419 0.580 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069952284 790232957 /nfs/dbraw/zinc/23/29/57/790232957.db2.gz CKVQNFUAUGFPLJ-OLZOCXBDSA-N 1 1 329.364 0.005 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069952284 790232959 /nfs/dbraw/zinc/23/29/59/790232959.db2.gz CKVQNFUAUGFPLJ-OLZOCXBDSA-N 1 1 329.364 0.005 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001069953546 790234995 /nfs/dbraw/zinc/23/49/95/790234995.db2.gz KIFHCKDKSSUWQQ-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001069953546 790234997 /nfs/dbraw/zinc/23/49/97/790234997.db2.gz KIFHCKDKSSUWQQ-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(CCF)c2)[C@@H](n2ccnn2)C1 ZINC001069963114 790247545 /nfs/dbraw/zinc/24/75/45/790247545.db2.gz AFIADIYBQAFKPJ-CABCVRRESA-N 1 1 345.382 0.123 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CCF)c2)[C@@H](n2ccnn2)C1 ZINC001069963114 790247548 /nfs/dbraw/zinc/24/75/48/790247548.db2.gz AFIADIYBQAFKPJ-CABCVRRESA-N 1 1 345.382 0.123 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068819921 791193069 /nfs/dbraw/zinc/19/30/69/791193069.db2.gz OHEHZDRTYDQEBO-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001068839111 791235782 /nfs/dbraw/zinc/23/57/82/791235782.db2.gz MTVGBEVNMHUYMF-HNNXBMFYSA-N 1 1 344.415 0.481 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@H+](C)C1CCC1)CO2 ZINC001068906729 791390241 /nfs/dbraw/zinc/39/02/41/791390241.db2.gz YRHIMHZMNYOLSP-OAHLLOKOSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068935081 791453377 /nfs/dbraw/zinc/45/33/77/791453377.db2.gz LHTLPMIHGCIRQZ-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068994953 791564496 /nfs/dbraw/zinc/56/44/96/791564496.db2.gz SJGFDMHHVYVNTD-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)CO2 ZINC001069040638 791637841 /nfs/dbraw/zinc/63/78/41/791637841.db2.gz PZMFOOMOTIKJLQ-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)CO2 ZINC001069041019 791638737 /nfs/dbraw/zinc/63/87/37/791638737.db2.gz SLEGWPVCQQVOBM-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001066675817 791970342 /nfs/dbraw/zinc/97/03/42/791970342.db2.gz UFHUBNJQSXQREY-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO N#Cc1cnc(NC[C@@H]2CN(C(=O)CCc3cnc[nH]3)CCO2)cn1 ZINC001066688001 791992390 /nfs/dbraw/zinc/99/23/90/791992390.db2.gz QYJPDOWLZQPHFJ-CQSZACIVSA-N 1 1 341.375 0.343 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)CC1 ZINC001066728832 792054239 /nfs/dbraw/zinc/05/42/39/792054239.db2.gz GYXADWRJDWGIKT-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1cncc(C#N)n1 ZINC001067742962 792212580 /nfs/dbraw/zinc/21/25/80/792212580.db2.gz RZNRIZZPCUSYSA-HUUCEWRRSA-N 1 1 328.420 0.870 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(Nc3ccnc(C#N)n3)C2)C1 ZINC001066906013 792339486 /nfs/dbraw/zinc/33/94/86/792339486.db2.gz IGLFODXZUWBCFP-GUYCJALGSA-N 1 1 344.419 0.065 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cnns1 ZINC001066938599 792427081 /nfs/dbraw/zinc/42/70/81/792427081.db2.gz ALPJVHUHIPSGBW-ZDUSSCGKSA-N 1 1 349.460 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cnns1 ZINC001066938599 792427087 /nfs/dbraw/zinc/42/70/87/792427087.db2.gz ALPJVHUHIPSGBW-ZDUSSCGKSA-N 1 1 349.460 0.556 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001067001728 792545354 /nfs/dbraw/zinc/54/53/54/792545354.db2.gz QHLAKPJOLSNRGG-OAHLLOKOSA-N 1 1 341.452 0.217 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001067001728 792545359 /nfs/dbraw/zinc/54/53/59/792545359.db2.gz QHLAKPJOLSNRGG-OAHLLOKOSA-N 1 1 341.452 0.217 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC1(C)C ZINC001068098597 792668444 /nfs/dbraw/zinc/66/84/44/792668444.db2.gz DVAZFKRAMRASLC-QWHCGFSZSA-N 1 1 328.420 0.773 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC001067117326 792714871 /nfs/dbraw/zinc/71/48/71/792714871.db2.gz MLHXESLGNPVWCH-AWEZNQCLSA-N 1 1 331.420 0.759 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067220243 792836610 /nfs/dbraw/zinc/83/66/10/792836610.db2.gz RTLVZWKMWWBDCN-JSGCOSHPSA-N 1 1 328.420 0.513 20 30 ECEDMO C#CCCCC(=O)N(C)CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001067286035 792938367 /nfs/dbraw/zinc/93/83/67/792938367.db2.gz IPGWZRRTZAHZKD-UHFFFAOYSA-N 1 1 337.464 0.819 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1C ZINC001067400184 793099464 /nfs/dbraw/zinc/09/94/64/793099464.db2.gz BDYKTSUCQDBGRC-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001068394659 793200549 /nfs/dbraw/zinc/20/05/49/793200549.db2.gz BIYDLYJDZDDJKX-MRXNPFEDSA-N 1 1 347.459 0.427 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068420590 793279370 /nfs/dbraw/zinc/27/93/70/793279370.db2.gz RXSXRVMWVTZFKI-UHFFFAOYSA-N 1 1 349.475 0.818 20 30 ECEDMO CC#CCCCC(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068436847 793311667 /nfs/dbraw/zinc/31/16/67/793311667.db2.gz RUGNOPKMTGFCNM-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO CCCN(C(=O)CN1CCOCC1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267454461 837438699 /nfs/dbraw/zinc/43/86/99/837438699.db2.gz NQEBPLSMSXUNBU-QGZVFWFLSA-N 1 1 337.464 0.281 20 30 ECEDMO CCCN(C(=O)CN1CCOCC1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267454461 837438701 /nfs/dbraw/zinc/43/87/01/837438701.db2.gz NQEBPLSMSXUNBU-QGZVFWFLSA-N 1 1 337.464 0.281 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001267490070 837555686 /nfs/dbraw/zinc/55/56/86/837555686.db2.gz FNEBGYHGYRAKCN-GOEBONIOSA-N 1 1 334.464 0.047 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2cccn2)C1 ZINC001267502479 837578313 /nfs/dbraw/zinc/57/83/13/837578313.db2.gz UWJSXWPTXABLKY-GJZGRUSLSA-N 1 1 333.436 0.402 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc(F)cc2)C1 ZINC001267502421 837579691 /nfs/dbraw/zinc/57/96/91/837579691.db2.gz SZIFGDMABRSOPM-ZDUSSCGKSA-N 1 1 332.379 0.907 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2nnc(C)o2)C1 ZINC001267524685 837687481 /nfs/dbraw/zinc/68/74/81/837687481.db2.gz VOASIEYAIPQJMW-OCCSQVGLSA-N 1 1 349.435 0.439 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)COCc2cc(C)on2)C1 ZINC001267535583 837712898 /nfs/dbraw/zinc/71/28/98/837712898.db2.gz BCGKFIZFHJJSRY-MRXNPFEDSA-N 1 1 349.431 0.978 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCC)[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001267548598 837744268 /nfs/dbraw/zinc/74/42/68/837744268.db2.gz JDFIHQLXBRUHMF-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCC)[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001267548598 837744276 /nfs/dbraw/zinc/74/42/76/837744276.db2.gz JDFIHQLXBRUHMF-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CCNC(=O)c3cnns3)C2)C1=O ZINC001267551249 837751544 /nfs/dbraw/zinc/75/15/44/837751544.db2.gz LZKPWCYQSMIPFK-OLZOCXBDSA-N 1 1 349.460 0.767 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001267552894 837754627 /nfs/dbraw/zinc/75/46/27/837754627.db2.gz WSSVOXDGCGEWRE-AWEZNQCLSA-N 1 1 347.415 0.475 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cncc(C)c2)C1 ZINC001267554635 837760547 /nfs/dbraw/zinc/76/05/47/837760547.db2.gz WCQOQSIJPQNUDW-HOTGVXAUSA-N 1 1 342.443 0.970 20 30 ECEDMO O=C(C#CC1CC1)NCC[C@@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267555986 837762272 /nfs/dbraw/zinc/76/22/72/837762272.db2.gz LOYDLSDSURXFCJ-HZPDHXFCSA-N 1 1 338.473 0.663 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001267560808 837771173 /nfs/dbraw/zinc/77/11/73/837771173.db2.gz NCUKHFAXSKAXOT-CQSZACIVSA-N 1 1 334.420 0.518 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001267562203 837774579 /nfs/dbraw/zinc/77/45/79/837774579.db2.gz YKGWGDYHDSHZKN-KYJSFNMBSA-N 1 1 347.459 0.379 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](CCNC(=O)C(N)=O)C2)cc1C#N ZINC001267563995 837778897 /nfs/dbraw/zinc/77/88/97/837778897.db2.gz JVMKARDLLVJEEW-LBPRGKRZSA-N 1 1 330.388 0.380 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C)C1 ZINC001267565266 837780490 /nfs/dbraw/zinc/78/04/90/837780490.db2.gz ZBMDDZWZBMCOJM-HOTGVXAUSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C)C1 ZINC001267565266 837780495 /nfs/dbraw/zinc/78/04/95/837780495.db2.gz ZBMDDZWZBMCOJM-HOTGVXAUSA-N 1 1 336.480 0.601 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](CC(C)C)C(N)=O)C1 ZINC001267571725 837806767 /nfs/dbraw/zinc/80/67/67/837806767.db2.gz RIBZFAXTTQSSGL-JKSUJKDBSA-N 1 1 337.464 0.612 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)CC2(O)CCC2)CC1 ZINC001267571837 837807930 /nfs/dbraw/zinc/80/79/30/837807930.db2.gz AIKOBAGSYVZKMT-UHFFFAOYSA-N 1 1 337.464 0.017 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)COCc2nccn2C)CC1 ZINC001267573086 837812395 /nfs/dbraw/zinc/81/23/95/837812395.db2.gz IJPYSGWCFZHPQA-UHFFFAOYSA-N 1 1 347.463 0.036 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)CC)C1 ZINC001266246065 835550667 /nfs/dbraw/zinc/55/06/67/835550667.db2.gz KEJVFMLPLDEHQP-AWEZNQCLSA-N 1 1 331.482 0.815 20 30 ECEDMO C=CCN1CC[C@H](N2CC[NH+](CCCNC(=O)/C(C)=C/C)CC2)C1=O ZINC001266259923 835569158 /nfs/dbraw/zinc/56/91/58/835569158.db2.gz LNAINKBZVDYMTH-DNIVAWAASA-N 1 1 348.491 0.863 20 30 ECEDMO CO[C@H]1COCC[C@@H]1CC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001266265146 835578453 /nfs/dbraw/zinc/57/84/53/835578453.db2.gz XEYSCVWJPKEVHK-CVEARBPZSA-N 1 1 338.452 0.075 20 30 ECEDMO CCC(=O)N1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001266264930 835578550 /nfs/dbraw/zinc/57/85/50/835578550.db2.gz PCHVKMYIKMLCBU-MRXNPFEDSA-N 1 1 349.479 0.425 20 30 ECEDMO C=CCC1(C(=O)NCCC[NH+]2CCN([C@@H](C)C(N)=O)CC2)CCC1 ZINC001266271275 835592924 /nfs/dbraw/zinc/59/29/24/835592924.db2.gz KECGSQHUOZHKLN-HNNXBMFYSA-N 1 1 336.480 0.731 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC001266275338 835599056 /nfs/dbraw/zinc/59/90/56/835599056.db2.gz VUCHARDIFWPKPT-CVEARBPZSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC001266275338 835599061 /nfs/dbraw/zinc/59/90/61/835599061.db2.gz VUCHARDIFWPKPT-CVEARBPZSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCOCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001266282881 835612398 /nfs/dbraw/zinc/61/23/98/835612398.db2.gz VOHIHIOZVCXGHL-UHFFFAOYSA-N 1 1 333.388 0.882 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cnc3[nH]ccc3c2)C1=O ZINC001266286774 835624548 /nfs/dbraw/zinc/62/45/48/835624548.db2.gz YIHOAWJPZVAMPV-OAHLLOKOSA-N 1 1 341.415 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cnc3[nH]ccc3c2)C1=O ZINC001266286774 835624552 /nfs/dbraw/zinc/62/45/52/835624552.db2.gz YIHOAWJPZVAMPV-OAHLLOKOSA-N 1 1 341.415 0.963 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2coc(=O)c3ccccc23)CC1 ZINC001266290410 835634118 /nfs/dbraw/zinc/63/41/18/835634118.db2.gz ZEANDLOEMRRCBY-UHFFFAOYSA-N 1 1 339.395 0.774 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ncc2ccccn21 ZINC001266297814 835648683 /nfs/dbraw/zinc/64/86/83/835648683.db2.gz RTHUBZGZPYCIQM-CYBMUJFWSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ncc2ccccn21 ZINC001266297814 835648686 /nfs/dbraw/zinc/64/86/86/835648686.db2.gz RTHUBZGZPYCIQM-CYBMUJFWSA-N 1 1 329.404 0.687 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC001266316518 835684569 /nfs/dbraw/zinc/68/45/69/835684569.db2.gz FDKNTLDVFSQSCH-DYVFJYSZSA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC001266316518 835684572 /nfs/dbraw/zinc/68/45/72/835684572.db2.gz FDKNTLDVFSQSCH-DYVFJYSZSA-N 1 1 325.453 0.809 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001266327693 835707325 /nfs/dbraw/zinc/70/73/25/835707325.db2.gz JYSSZAJKSWYJFU-XJKSGUPXSA-N 1 1 345.447 0.642 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001266327693 835707335 /nfs/dbraw/zinc/70/73/35/835707335.db2.gz JYSSZAJKSWYJFU-XJKSGUPXSA-N 1 1 345.447 0.642 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001266333626 835716208 /nfs/dbraw/zinc/71/62/08/835716208.db2.gz QWMGUDOHEIUCLX-HNNXBMFYSA-N 1 1 342.403 0.669 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1=O ZINC001266340105 835726152 /nfs/dbraw/zinc/72/61/52/835726152.db2.gz KECYEONRQFOYPL-WFASDCNBSA-N 1 1 347.463 0.965 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1=O ZINC001266340105 835726158 /nfs/dbraw/zinc/72/61/58/835726158.db2.gz KECYEONRQFOYPL-WFASDCNBSA-N 1 1 347.463 0.965 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C(C)(C)c2c[nH]cn2)C1=O ZINC001266347515 835739679 /nfs/dbraw/zinc/73/96/79/835739679.db2.gz MFZREMORMFBZNT-CYBMUJFWSA-N 1 1 333.436 0.522 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C(C)(C)c2c[nH]cn2)C1=O ZINC001266347515 835739682 /nfs/dbraw/zinc/73/96/82/835739682.db2.gz MFZREMORMFBZNT-CYBMUJFWSA-N 1 1 333.436 0.522 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2nccn2c1 ZINC001266347768 835740185 /nfs/dbraw/zinc/74/01/85/835740185.db2.gz QNWIQZSIIDOCKV-CYBMUJFWSA-N 1 1 327.388 0.134 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2nccn2c1 ZINC001266347768 835740191 /nfs/dbraw/zinc/74/01/91/835740191.db2.gz QNWIQZSIIDOCKV-CYBMUJFWSA-N 1 1 327.388 0.134 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001266352971 835753671 /nfs/dbraw/zinc/75/36/71/835753671.db2.gz LZAXSBJXCMMJTL-ZDUSSCGKSA-N 1 1 340.383 0.789 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001266352971 835753677 /nfs/dbraw/zinc/75/36/77/835753677.db2.gz LZAXSBJXCMMJTL-ZDUSSCGKSA-N 1 1 340.383 0.789 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001266356658 835761583 /nfs/dbraw/zinc/76/15/83/835761583.db2.gz VYHJARNIMHOFPB-CQSZACIVSA-N 1 1 327.388 0.422 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001266356658 835761590 /nfs/dbraw/zinc/76/15/90/835761590.db2.gz VYHJARNIMHOFPB-CQSZACIVSA-N 1 1 327.388 0.422 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@H+](C[C@@H](CC)OC)C1 ZINC001266361688 835771838 /nfs/dbraw/zinc/77/18/38/835771838.db2.gz QDAAFJBIIRFNDZ-ZIAGYGMSSA-N 1 1 340.468 0.866 20 30 ECEDMO CCn1cccc1C(=O)N[C@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001266382624 835794345 /nfs/dbraw/zinc/79/43/45/835794345.db2.gz UXZQLDZFDSZNNP-HNNXBMFYSA-N 1 1 343.431 0.732 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ccc2c(c1)ncn2C)CC(=O)NCC#N ZINC001266399122 835806944 /nfs/dbraw/zinc/80/69/44/835806944.db2.gz LNGBHNKAHOVGTG-UHFFFAOYSA-N 1 1 342.403 0.265 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ccc2c(c1)ncn2C)CC(=O)NCC#N ZINC001266399122 835806947 /nfs/dbraw/zinc/80/69/47/835806947.db2.gz LNGBHNKAHOVGTG-UHFFFAOYSA-N 1 1 342.403 0.265 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1n[nH]c2c1CCCC2 ZINC001266400983 835807871 /nfs/dbraw/zinc/80/78/71/835807871.db2.gz VXSCOPVUGBMINR-UHFFFAOYSA-N 1 1 331.420 0.090 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1n[nH]c2c1CCCC2 ZINC001266400983 835807880 /nfs/dbraw/zinc/80/78/80/835807880.db2.gz VXSCOPVUGBMINR-UHFFFAOYSA-N 1 1 331.420 0.090 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001266420078 835825217 /nfs/dbraw/zinc/82/52/17/835825217.db2.gz FNDDJNYCCNHPRH-GOSISDBHSA-N 1 1 341.455 0.979 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001266420078 835825225 /nfs/dbraw/zinc/82/52/25/835825225.db2.gz FNDDJNYCCNHPRH-GOSISDBHSA-N 1 1 341.455 0.979 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]([NH2+]Cc2nnc(C)[nH]2)C2CC2)nn1 ZINC001266433755 835837808 /nfs/dbraw/zinc/83/78/08/835837808.db2.gz KKFCSYZKIOOSGC-LBPRGKRZSA-N 1 1 330.396 0.189 20 30 ECEDMO CC[N@@H+](CCNC(=O)CN1C(=O)CNC1=O)Cc1ccc(C#N)cc1 ZINC001266434804 835839098 /nfs/dbraw/zinc/83/90/98/835839098.db2.gz OSDQZRMEKUZHDR-UHFFFAOYSA-N 1 1 343.387 0.048 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001266437730 835840707 /nfs/dbraw/zinc/84/07/07/835840707.db2.gz KPEDKMBMYWCLDT-ZIAGYGMSSA-N 1 1 347.463 0.643 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001266437730 835840716 /nfs/dbraw/zinc/84/07/16/835840716.db2.gz KPEDKMBMYWCLDT-ZIAGYGMSSA-N 1 1 347.463 0.643 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCn1cccn1 ZINC001266447291 835852028 /nfs/dbraw/zinc/85/20/28/835852028.db2.gz RDYLGXMUDBMCHU-LSDHHAIUSA-N 1 1 333.436 0.545 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCn1cccn1 ZINC001266447290 835852218 /nfs/dbraw/zinc/85/22/18/835852218.db2.gz RDYLGXMUDBMCHU-HUUCEWRRSA-N 1 1 333.436 0.545 20 30 ECEDMO Cc1cc(CC(=O)N2CCC[C@H](C[N@H+](C)CC(=O)NCC#N)C2)no1 ZINC001266451516 835855002 /nfs/dbraw/zinc/85/50/02/835855002.db2.gz DCPOPCSCINNQNX-CQSZACIVSA-N 1 1 347.419 0.336 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1)n1cccc1 ZINC001266455451 835857796 /nfs/dbraw/zinc/85/77/96/835857796.db2.gz FGZVMBWPMZZWKJ-HOTGVXAUSA-N 1 1 345.447 0.859 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001266455376 835858077 /nfs/dbraw/zinc/85/80/77/835858077.db2.gz CKXBUAOQLFRYAA-AWEZNQCLSA-N 1 1 343.431 0.973 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001266455866 835859243 /nfs/dbraw/zinc/85/92/43/835859243.db2.gz MRXVWWYAOLLZPU-HNNXBMFYSA-N 1 1 347.463 0.972 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001266459014 835862524 /nfs/dbraw/zinc/86/25/24/835862524.db2.gz IFIRRCWWDNMFIE-INIZCTEOSA-N 1 1 342.443 0.917 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001266468111 835869677 /nfs/dbraw/zinc/86/96/77/835869677.db2.gz JXCMBTSDNXQHIQ-CQSZACIVSA-N 1 1 342.403 0.454 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001266468111 835869683 /nfs/dbraw/zinc/86/96/83/835869683.db2.gz JXCMBTSDNXQHIQ-CQSZACIVSA-N 1 1 342.403 0.454 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2cccc(C(N)=O)n2)C1 ZINC001266475505 835878040 /nfs/dbraw/zinc/87/80/40/835878040.db2.gz GPOUKHLICASMRD-CQSZACIVSA-N 1 1 328.416 0.988 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)Cn2nccc2C)C1=O ZINC001266483258 835882724 /nfs/dbraw/zinc/88/27/24/835882724.db2.gz RPPQPHAEPTUVAZ-CVEARBPZSA-N 1 1 345.447 0.559 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1cn[nH]c1 ZINC001266486937 835886456 /nfs/dbraw/zinc/88/64/56/835886456.db2.gz SIHDRECSTDRSCW-ZFWWWQNUSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1cn[nH]c1 ZINC001266486937 835886463 /nfs/dbraw/zinc/88/64/63/835886463.db2.gz SIHDRECSTDRSCW-ZFWWWQNUSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2ncccc12 ZINC001266495296 835894029 /nfs/dbraw/zinc/89/40/29/835894029.db2.gz KHWBYIYQSIBBPZ-CYBMUJFWSA-N 1 1 339.399 0.507 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2ncccc12 ZINC001266495296 835894032 /nfs/dbraw/zinc/89/40/32/835894032.db2.gz KHWBYIYQSIBBPZ-CYBMUJFWSA-N 1 1 339.399 0.507 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001266495692 835895475 /nfs/dbraw/zinc/89/54/75/835895475.db2.gz RHYQNKCEJGOLSM-HUUCEWRRSA-N 1 1 331.420 0.071 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2snnc2C)C1 ZINC001266500876 835901756 /nfs/dbraw/zinc/90/17/56/835901756.db2.gz XQQPAWUXVLYDRV-VXGBXAGGSA-N 1 1 337.449 0.589 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001266505467 835906737 /nfs/dbraw/zinc/90/67/37/835906737.db2.gz KYAZGTWCWUGISX-HOCLYGCPSA-N 1 1 345.447 0.930 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001266505467 835906744 /nfs/dbraw/zinc/90/67/44/835906744.db2.gz KYAZGTWCWUGISX-HOCLYGCPSA-N 1 1 345.447 0.930 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc3ncccc3o2)C1 ZINC001266523516 835938743 /nfs/dbraw/zinc/93/87/43/835938743.db2.gz PNJIGBJCPLHSGE-ZDUSSCGKSA-N 1 1 340.383 0.629 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC(=O)NC)C2)cc1 ZINC001266526063 835941093 /nfs/dbraw/zinc/94/10/93/835941093.db2.gz QBKAFDAYYCCYMR-AWEZNQCLSA-N 1 1 342.399 0.175 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N(CC)CC)C2)c1 ZINC001266532833 835950091 /nfs/dbraw/zinc/95/00/91/835950091.db2.gz AAGZHXJMBOSEFV-INIZCTEOSA-N 1 1 342.443 0.983 20 30 ECEDMO CCOc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)cc1 ZINC001266546727 835968146 /nfs/dbraw/zinc/96/81/46/835968146.db2.gz VVLMQDJBRGRLBX-CQSZACIVSA-N 1 1 344.415 0.777 20 30 ECEDMO CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cc1 ZINC001266546727 835968151 /nfs/dbraw/zinc/96/81/51/835968151.db2.gz VVLMQDJBRGRLBX-CQSZACIVSA-N 1 1 344.415 0.777 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)c2cccnc2)C1 ZINC001266546878 835968572 /nfs/dbraw/zinc/96/85/72/835968572.db2.gz YTEYXUHCZBGNCR-CABCVRRESA-N 1 1 328.416 0.373 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccnc(C)n3)C2)C1=O ZINC000970896636 836017863 /nfs/dbraw/zinc/01/78/63/836017863.db2.gz VJXIOSUMIKMCRY-WBMJQRKESA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCNC(=O)[C@H](C)n2cncn2)C2CC2)C1=O ZINC001266588054 836019016 /nfs/dbraw/zinc/01/90/16/836019016.db2.gz ILJGKBXGNTVMFG-ZFWWWQNUSA-N 1 1 346.435 0.207 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCNC(=O)[C@H](C)n2cncn2)C2CC2)C1=O ZINC001266588054 836019027 /nfs/dbraw/zinc/01/90/27/836019027.db2.gz ILJGKBXGNTVMFG-ZFWWWQNUSA-N 1 1 346.435 0.207 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCNC(=O)[C@H](C)n2cncn2)C2CC2)C1=O ZINC001266588051 836019651 /nfs/dbraw/zinc/01/96/51/836019651.db2.gz ILJGKBXGNTVMFG-DZGCQCFKSA-N 1 1 346.435 0.207 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCNC(=O)[C@H](C)n2cncn2)C2CC2)C1=O ZINC001266588051 836019662 /nfs/dbraw/zinc/01/96/62/836019662.db2.gz ILJGKBXGNTVMFG-DZGCQCFKSA-N 1 1 346.435 0.207 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)c1ccc2n[nH]nc2n1)C1CC1 ZINC001266594934 836026294 /nfs/dbraw/zinc/02/62/94/836026294.db2.gz VAKSZGPVKWGMBO-UHFFFAOYSA-N 1 1 328.376 0.197 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1ccc(C)[nH]c1=O)C1CC1 ZINC001266611775 836045319 /nfs/dbraw/zinc/04/53/19/836045319.db2.gz XIVXKQFGOZDUEM-ZDUSSCGKSA-N 1 1 346.431 0.981 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1ccc(C)[nH]c1=O)C1CC1 ZINC001266611775 836045335 /nfs/dbraw/zinc/04/53/35/836045335.db2.gz XIVXKQFGOZDUEM-ZDUSSCGKSA-N 1 1 346.431 0.981 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1c2c(nn1C)CCC2)C1CC1 ZINC001266617271 836051773 /nfs/dbraw/zinc/05/17/73/836051773.db2.gz CHIAIHYSHBOZSC-UHFFFAOYSA-N 1 1 345.447 0.405 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1c2c(nn1C)CCC2)C1CC1 ZINC001266617271 836051782 /nfs/dbraw/zinc/05/17/82/836051782.db2.gz CHIAIHYSHBOZSC-UHFFFAOYSA-N 1 1 345.447 0.405 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CC(=O)NC(C)C)C2CC2)cn1 ZINC001266617781 836052521 /nfs/dbraw/zinc/05/25/21/836052521.db2.gz XCMXMBFQEGDQPS-UHFFFAOYSA-N 1 1 328.416 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC(=O)NC(C)C)C2CC2)cn1 ZINC001266617781 836052536 /nfs/dbraw/zinc/05/25/36/836052536.db2.gz XCMXMBFQEGDQPS-UHFFFAOYSA-N 1 1 328.416 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CC(=O)N2CCC2)C2CC2)cn1 ZINC001266617807 836053002 /nfs/dbraw/zinc/05/30/02/836053002.db2.gz XTOJDKBQGJMBRL-UHFFFAOYSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC(=O)N2CCC2)C2CC2)cn1 ZINC001266617807 836053015 /nfs/dbraw/zinc/05/30/15/836053015.db2.gz XTOJDKBQGJMBRL-UHFFFAOYSA-N 1 1 326.400 0.489 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccnn2C)C1 ZINC001266658753 836094336 /nfs/dbraw/zinc/09/43/36/836094336.db2.gz IFFMKZJBGHHUNM-HZPDHXFCSA-N 1 1 330.432 0.996 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COCCC)C1 ZINC001266659361 836096659 /nfs/dbraw/zinc/09/66/59/836096659.db2.gz OCQBYHPLOPCLKM-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2=CCOCC2)C1 ZINC001266660334 836098353 /nfs/dbraw/zinc/09/83/53/836098353.db2.gz WJDAZBTUMHJLNI-SJORKVTESA-N 1 1 347.459 0.948 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001266706057 836173537 /nfs/dbraw/zinc/17/35/37/836173537.db2.gz AYVYFFPHUQNKLY-NSHDSACASA-N 1 1 330.392 0.310 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001408542154 836180157 /nfs/dbraw/zinc/18/01/57/836180157.db2.gz HAVGILMSESLQGK-LBPRGKRZSA-N 1 1 331.844 0.670 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001408542154 836180164 /nfs/dbraw/zinc/18/01/64/836180164.db2.gz HAVGILMSESLQGK-LBPRGKRZSA-N 1 1 331.844 0.670 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001266747812 836235105 /nfs/dbraw/zinc/23/51/05/836235105.db2.gz XNLXMXDEIRUPGT-CABCVRRESA-N 1 1 345.447 0.918 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001266758260 836255190 /nfs/dbraw/zinc/25/51/90/836255190.db2.gz PNHQEUMTNGQNFF-SMLCLMEVSA-N 1 1 331.460 0.999 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=O)NCCC)C1 ZINC001266760379 836259483 /nfs/dbraw/zinc/25/94/83/836259483.db2.gz FDUALYLKKNTHFK-OAGGEKHMSA-N 1 1 337.464 0.932 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CN(C)CC(=O)NC(C)C ZINC001266843697 836372013 /nfs/dbraw/zinc/37/20/13/836372013.db2.gz AGORRGRMYARBCC-MRXNPFEDSA-N 1 1 336.480 0.437 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COC ZINC001266844761 836372249 /nfs/dbraw/zinc/37/22/49/836372249.db2.gz PLMBKWXEABBARJ-ULQDDVLXSA-N 1 1 337.464 0.062 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)CNC(=O)c1ccccn1 ZINC001266859698 836396950 /nfs/dbraw/zinc/39/69/50/836396950.db2.gz NSUMIHKTBWHCDQ-HNNXBMFYSA-N 1 1 328.416 0.805 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001266859022 836397512 /nfs/dbraw/zinc/39/75/12/836397512.db2.gz WHECZKDKNLWMBI-HNNXBMFYSA-N 1 1 345.447 0.375 20 30 ECEDMO Cc1[nH]ccc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266893392 836442844 /nfs/dbraw/zinc/44/28/44/836442844.db2.gz QLAZQMLRUAIBDA-TZMCWYRMSA-N 1 1 331.420 0.793 20 30 ECEDMO Cc1[nH]ccc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266893392 836442848 /nfs/dbraw/zinc/44/28/48/836442848.db2.gz QLAZQMLRUAIBDA-TZMCWYRMSA-N 1 1 331.420 0.793 20 30 ECEDMO Cc1ccncc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266893163 836442917 /nfs/dbraw/zinc/44/29/17/836442917.db2.gz QDCRWONCDQLBNS-HUUCEWRRSA-N 1 1 343.431 0.860 20 30 ECEDMO Cc1ccncc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266893163 836442923 /nfs/dbraw/zinc/44/29/23/836442923.db2.gz QDCRWONCDQLBNS-HUUCEWRRSA-N 1 1 343.431 0.860 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2nnc[nH]2)C1 ZINC001266893423 836443720 /nfs/dbraw/zinc/44/37/20/836443720.db2.gz QSADFVJFYJNZMN-LSDHHAIUSA-N 1 1 333.436 0.604 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2nc[nH]n2)C1 ZINC001266893423 836443724 /nfs/dbraw/zinc/44/37/24/836443724.db2.gz QSADFVJFYJNZMN-LSDHHAIUSA-N 1 1 333.436 0.604 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2nc[nH]n2)C1 ZINC001266893423 836443728 /nfs/dbraw/zinc/44/37/28/836443728.db2.gz QSADFVJFYJNZMN-LSDHHAIUSA-N 1 1 333.436 0.604 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001266894299 836445362 /nfs/dbraw/zinc/44/53/62/836445362.db2.gz HWKMUWIKQQAISF-UONOGXRCSA-N 1 1 334.420 0.329 20 30 ECEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCOC[C@H]1OC ZINC001266901198 836454918 /nfs/dbraw/zinc/45/49/18/836454918.db2.gz GYWFTLOUYRAHNE-QFXBJFAPSA-N 1 1 336.432 0.124 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C)C1 ZINC001266904499 836461140 /nfs/dbraw/zinc/46/11/40/836461140.db2.gz LXVOIVPZEKYQTA-OJKRMQCYSA-N 1 1 348.447 0.481 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C)C1 ZINC001266904499 836461145 /nfs/dbraw/zinc/46/11/45/836461145.db2.gz LXVOIVPZEKYQTA-OJKRMQCYSA-N 1 1 348.447 0.481 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCNS(C)(=O)=O ZINC001279541220 836500019 /nfs/dbraw/zinc/50/00/19/836500019.db2.gz IMYPNUAPGJLIHL-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CCCCOC)C1 ZINC001267099880 836769816 /nfs/dbraw/zinc/76/98/16/836769816.db2.gz FCGFKHUCKNJZNI-CVEARBPZSA-N 1 1 337.464 0.864 20 30 ECEDMO CCO[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1)C(C)C ZINC001267105570 836784990 /nfs/dbraw/zinc/78/49/90/836784990.db2.gz KXWUBMLBTMAKSC-GOEBONIOSA-N 1 1 338.452 0.610 20 30 ECEDMO CCO[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)C(C)C ZINC001267105570 836784994 /nfs/dbraw/zinc/78/49/94/836784994.db2.gz KXWUBMLBTMAKSC-GOEBONIOSA-N 1 1 338.452 0.610 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)ncn2C)C1 ZINC001267107414 836788662 /nfs/dbraw/zinc/78/86/62/836788662.db2.gz GIVSZMBVLCNRAO-HUUCEWRRSA-N 1 1 347.463 0.956 20 30 ECEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001267108312 836791414 /nfs/dbraw/zinc/79/14/14/836791414.db2.gz MHEZHBHRQCNTGP-KBPBESRZSA-N 1 1 346.497 0.318 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001267112988 836801566 /nfs/dbraw/zinc/80/15/66/836801566.db2.gz ZRXANKDRWDEAQK-XHSDSOJGSA-N 1 1 335.448 0.803 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001267112988 836801576 /nfs/dbraw/zinc/80/15/76/836801576.db2.gz ZRXANKDRWDEAQK-XHSDSOJGSA-N 1 1 335.448 0.803 20 30 ECEDMO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001267113594 836803637 /nfs/dbraw/zinc/80/36/37/836803637.db2.gz OFLJVVMDOLOLOP-CYBMUJFWSA-N 1 1 332.404 0.685 20 30 ECEDMO COCCC[C@@H](C)C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267113452 836804256 /nfs/dbraw/zinc/80/42/56/836804256.db2.gz LKEGIGSHNBYENS-HUUCEWRRSA-N 1 1 338.452 0.612 20 30 ECEDMO COCCC[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267113452 836804266 /nfs/dbraw/zinc/80/42/66/836804266.db2.gz LKEGIGSHNBYENS-HUUCEWRRSA-N 1 1 338.452 0.612 20 30 ECEDMO C#CCN1CCC(C(=O)N(C)CC[NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC001267117272 836812966 /nfs/dbraw/zinc/81/29/66/836812966.db2.gz PHRRRPDOOBOGPK-INIZCTEOSA-N 1 1 344.463 0.159 20 30 ECEDMO C[C@@H](CS(C)(=O)=O)C(=O)N(C)CC[NH2+]Cc1ccccc1C#N ZINC001267121760 836818986 /nfs/dbraw/zinc/81/89/86/836818986.db2.gz MFDHZUPGJPWCOQ-ZDUSSCGKSA-N 1 1 337.445 0.787 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)SC ZINC001267159878 836870118 /nfs/dbraw/zinc/87/01/18/836870118.db2.gz APJLYTAIOZOXKO-ZIAGYGMSSA-N 1 1 325.478 0.848 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCOCC1 ZINC001267165398 836886760 /nfs/dbraw/zinc/88/67/60/836886760.db2.gz VEOJIQJDLALPKB-SJORKVTESA-N 1 1 349.475 0.913 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001267170724 836903119 /nfs/dbraw/zinc/90/31/19/836903119.db2.gz SFTOKJDVCQTOIH-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001267170911 836904003 /nfs/dbraw/zinc/90/40/03/836904003.db2.gz URWCDAVLWRWFFK-CQSZACIVSA-N 1 1 334.420 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001267175160 836914827 /nfs/dbraw/zinc/91/48/27/836914827.db2.gz PHHKRGNMNUYXJC-HUUCEWRRSA-N 1 1 329.448 0.914 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001267175845 836916356 /nfs/dbraw/zinc/91/63/56/836916356.db2.gz ZPSHODOGDMOFFL-ZDUSSCGKSA-N 1 1 349.435 0.402 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1=NC(=O)N(C)C1 ZINC001267175845 836916363 /nfs/dbraw/zinc/91/63/63/836916363.db2.gz ZPSHODOGDMOFFL-ZDUSSCGKSA-N 1 1 349.435 0.402 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1=NC(=O)N(C)C1 ZINC001267175845 836916370 /nfs/dbraw/zinc/91/63/70/836916370.db2.gz ZPSHODOGDMOFFL-ZDUSSCGKSA-N 1 1 349.435 0.402 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001267202700 836979388 /nfs/dbraw/zinc/97/93/88/836979388.db2.gz HFKPGBILKYVOKY-KGLIPLIRSA-N 1 1 347.463 0.818 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001267202700 836979394 /nfs/dbraw/zinc/97/93/94/836979394.db2.gz HFKPGBILKYVOKY-KGLIPLIRSA-N 1 1 347.463 0.818 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001267213576 837002385 /nfs/dbraw/zinc/00/23/85/837002385.db2.gz QEKXIEHAGKJXDV-KGLIPLIRSA-N 1 1 347.463 0.579 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001267213576 837002395 /nfs/dbraw/zinc/00/23/95/837002395.db2.gz QEKXIEHAGKJXDV-KGLIPLIRSA-N 1 1 347.463 0.579 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)CCc2cncs2)C1=O ZINC001267217929 837007988 /nfs/dbraw/zinc/00/79/88/837007988.db2.gz SVKLBXRRNCAISN-CQSZACIVSA-N 1 1 336.461 0.911 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CCc2cncs2)C1=O ZINC001267217929 837007992 /nfs/dbraw/zinc/00/79/92/837007992.db2.gz SVKLBXRRNCAISN-CQSZACIVSA-N 1 1 336.461 0.911 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cncnc1C(C)C ZINC001267230562 837033038 /nfs/dbraw/zinc/03/30/38/837033038.db2.gz SHSUYHDDVHXABR-CYBMUJFWSA-N 1 1 333.436 0.952 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cncnc1C(C)C ZINC001267230562 837033046 /nfs/dbraw/zinc/03/30/46/837033046.db2.gz SHSUYHDDVHXABR-CYBMUJFWSA-N 1 1 333.436 0.952 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1c[nH]c2ncccc12 ZINC001267231022 837036175 /nfs/dbraw/zinc/03/61/75/837036175.db2.gz LMWKUUPOHXQIPU-LBPRGKRZSA-N 1 1 329.404 0.915 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c2ncccc12 ZINC001267231022 837036179 /nfs/dbraw/zinc/03/61/79/837036179.db2.gz LMWKUUPOHXQIPU-LBPRGKRZSA-N 1 1 329.404 0.915 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC001267233653 837038635 /nfs/dbraw/zinc/03/86/35/837038635.db2.gz VWYBKGZARAQIOW-HNNXBMFYSA-N 1 1 337.464 0.769 20 30 ECEDMO Cc1cccnc1C(=O)NCCC[N@@H+](CC(=O)NCC#N)C(C)C ZINC001267243855 837055103 /nfs/dbraw/zinc/05/51/03/837055103.db2.gz MWGFHNHBRXQDLU-UHFFFAOYSA-N 1 1 331.420 0.860 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cccc2[nH]cnc21 ZINC001267253966 837074041 /nfs/dbraw/zinc/07/40/41/837074041.db2.gz XQYCIPZILZLZAB-CYBMUJFWSA-N 1 1 341.415 0.753 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cccc2[nH]cnc21 ZINC001267253966 837074042 /nfs/dbraw/zinc/07/40/42/837074042.db2.gz XQYCIPZILZLZAB-CYBMUJFWSA-N 1 1 341.415 0.753 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)C1(C)CC(F)(F)C1 ZINC001267254371 837075463 /nfs/dbraw/zinc/07/54/63/837075463.db2.gz MZIXUNDSOJRBKG-LBPRGKRZSA-N 1 1 329.391 0.998 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)C1(C)CC(F)(F)C1 ZINC001267254371 837075473 /nfs/dbraw/zinc/07/54/73/837075473.db2.gz MZIXUNDSOJRBKG-LBPRGKRZSA-N 1 1 329.391 0.998 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001267262318 837093640 /nfs/dbraw/zinc/09/36/40/837093640.db2.gz ZNUMKYIMEKUPNN-ZFWWWQNUSA-N 1 1 332.404 0.205 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001267262318 837093651 /nfs/dbraw/zinc/09/36/51/837093651.db2.gz ZNUMKYIMEKUPNN-ZFWWWQNUSA-N 1 1 332.404 0.205 20 30 ECEDMO C#CC[N@H+](CCCNC(=O)c1ccc(S(N)(=O)=O)o1)C(C)C ZINC001267284420 837134121 /nfs/dbraw/zinc/13/41/21/837134121.db2.gz HMIKCNMYIPOGJR-UHFFFAOYSA-N 1 1 327.406 0.391 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cn2cc(C)cn2)C1 ZINC001267288542 837138447 /nfs/dbraw/zinc/13/84/47/837138447.db2.gz LTWUMJFSADMUIQ-LSDHHAIUSA-N 1 1 333.436 0.320 20 30 ECEDMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](CNC(=O)CSCC#N)C1 ZINC001267287107 837138729 /nfs/dbraw/zinc/13/87/29/837138729.db2.gz DMUQESFXDXWKEG-ZDUSSCGKSA-N 1 1 326.466 0.550 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001267288797 837140484 /nfs/dbraw/zinc/14/04/84/837140484.db2.gz UXMTYUUIQNJYJI-HUUCEWRRSA-N 1 1 343.493 0.672 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC001267293020 837146889 /nfs/dbraw/zinc/14/68/89/837146889.db2.gz KHDJOIOCMVBSPE-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CCc2ccnn2C)C1 ZINC001267294269 837148013 /nfs/dbraw/zinc/14/80/13/837148013.db2.gz FPNLRZPFGPKDBO-LSDHHAIUSA-N 1 1 347.463 0.482 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)c2c(C3CC3)cnn2C)C1 ZINC001267293993 837149126 /nfs/dbraw/zinc/14/91/26/837149126.db2.gz AVHJSLHTJPIYBN-AWEZNQCLSA-N 1 1 330.432 0.999 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001267297603 837154909 /nfs/dbraw/zinc/15/49/09/837154909.db2.gz DGDDAACCNQTYOY-MAUKXSAKSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001267297231 837157760 /nfs/dbraw/zinc/15/77/60/837157760.db2.gz FCTGJFQOTGHHIT-GJZGRUSLSA-N 1 1 337.464 0.932 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)c2cnn(C)c2)C1 ZINC001267298458 837159854 /nfs/dbraw/zinc/15/98/54/837159854.db2.gz NTFKPEBPAGEAJQ-CABCVRRESA-N 1 1 345.447 0.101 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2occ3c2CCC3)C1 ZINC001267298390 837159966 /nfs/dbraw/zinc/15/99/66/837159966.db2.gz MJLFLIVTSJFOEH-KBPBESRZSA-N 1 1 343.427 0.958 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001267305688 837174907 /nfs/dbraw/zinc/17/49/07/837174907.db2.gz MWGHYYFCWTYPRB-AWEZNQCLSA-N 1 1 340.427 0.867 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001267305688 837174911 /nfs/dbraw/zinc/17/49/11/837174911.db2.gz MWGHYYFCWTYPRB-AWEZNQCLSA-N 1 1 340.427 0.867 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001267305979 837176452 /nfs/dbraw/zinc/17/64/52/837176452.db2.gz UTIMASWILNGDDD-CQSZACIVSA-N 1 1 334.420 0.331 20 30 ECEDMO CCOc1cnc(C(=O)NC[C@H]2CC[N@@H+](CC#CCOC)C2)cn1 ZINC001267309543 837184202 /nfs/dbraw/zinc/18/42/02/837184202.db2.gz MHUXIDFPIHAUMB-CQSZACIVSA-N 1 1 332.404 0.577 20 30 ECEDMO CCC[N@@H+](CCNC(=O)CSCC#N)[C@@H]1CCCN(C)C1=O ZINC001267310771 837186585 /nfs/dbraw/zinc/18/65/85/837186585.db2.gz ASXQRQRXGLPQEH-CYBMUJFWSA-N 1 1 326.466 0.692 20 30 ECEDMO C#CCC[N@@H+](CCC)CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001267316282 837192086 /nfs/dbraw/zinc/19/20/86/837192086.db2.gz LDBUNNBQOQXEFL-UHFFFAOYSA-N 1 1 330.396 0.159 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(C)nn1CC)C1CC1 ZINC001267332583 837213998 /nfs/dbraw/zinc/21/39/98/837213998.db2.gz GNYIVPXQAJRNQA-UHFFFAOYSA-N 1 1 331.420 0.155 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cc(C)nn1CC)C1CC1 ZINC001267332583 837214010 /nfs/dbraw/zinc/21/40/10/837214010.db2.gz GNYIVPXQAJRNQA-UHFFFAOYSA-N 1 1 331.420 0.155 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)c1ccc2nnn(C)c2c1)C1CC1 ZINC001267337355 837221646 /nfs/dbraw/zinc/22/16/46/837221646.db2.gz RLXXRSXAKJKRNU-UHFFFAOYSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1nc(C)c[nH]1)c1ccccc1 ZINC001267377785 837294544 /nfs/dbraw/zinc/29/45/44/837294544.db2.gz RYOCRTRDVWKPQN-OAHLLOKOSA-N 1 1 339.399 0.528 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC001267580584 837843357 /nfs/dbraw/zinc/84/33/57/837843357.db2.gz ZETVOKWPBIKVPP-NSHDSACASA-N 1 1 328.363 0.452 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001267582466 837848861 /nfs/dbraw/zinc/84/88/61/837848861.db2.gz IUBUNHHHAKIJCL-ZIAGYGMSSA-N 1 1 331.482 0.671 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001267582764 837850379 /nfs/dbraw/zinc/85/03/79/837850379.db2.gz KNRKQXNPAFZSHT-QWHCGFSZSA-N 1 1 341.402 0.950 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccncn2)C1 ZINC001267583804 837852791 /nfs/dbraw/zinc/85/27/91/837852791.db2.gz SGSWDLUGMKBWIX-ZIAGYGMSSA-N 1 1 331.420 0.609 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N2CCCC2)C1 ZINC001267583765 837852963 /nfs/dbraw/zinc/85/29/63/837852963.db2.gz VMDAXPVZJBVRFK-CVEARBPZSA-N 1 1 335.448 0.427 20 30 ECEDMO Cc1ccoc1CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001267590606 837878678 /nfs/dbraw/zinc/87/86/78/837878678.db2.gz WVXUVCBIBVVCRO-CQSZACIVSA-N 1 1 332.404 0.551 20 30 ECEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001267591705 837882681 /nfs/dbraw/zinc/88/26/81/837882681.db2.gz HKEGODVOLHSNBI-LLVKDONJSA-N 1 1 327.812 0.572 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H](C[N@@H+](C)CCOCCO)C1 ZINC001267593321 837890262 /nfs/dbraw/zinc/89/02/62/837890262.db2.gz IFAINFIRZRBLMO-QGZVFWFLSA-N 1 1 344.455 1.000 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001267594221 837895166 /nfs/dbraw/zinc/89/51/66/837895166.db2.gz BDOYDMRUTCSFLC-SJORKVTESA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCCCCC(=O)N(C)CC[NH+]1CCN(Cc2ncnn2C)CC1 ZINC001267605962 837944186 /nfs/dbraw/zinc/94/41/86/837944186.db2.gz JDMDWHHOWYTLCA-UHFFFAOYSA-N 1 1 346.479 0.585 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001267614781 837991290 /nfs/dbraw/zinc/99/12/90/837991290.db2.gz RTNJRZDCPWVXDB-CQSZACIVSA-N 1 1 348.447 0.557 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001267614781 837991297 /nfs/dbraw/zinc/99/12/97/837991297.db2.gz RTNJRZDCPWVXDB-CQSZACIVSA-N 1 1 348.447 0.557 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCCn2cccn2)C1 ZINC001267622084 838061157 /nfs/dbraw/zinc/06/11/57/838061157.db2.gz LRKXASZKTRCPEE-JKSUJKDBSA-N 1 1 345.447 0.382 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCn2cccn2)C1 ZINC001267622084 838061165 /nfs/dbraw/zinc/06/11/65/838061165.db2.gz LRKXASZKTRCPEE-JKSUJKDBSA-N 1 1 345.447 0.382 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC001267624835 838071936 /nfs/dbraw/zinc/07/19/36/838071936.db2.gz DCUMWACIYSUSTF-LSDHHAIUSA-N 1 1 328.416 0.613 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)COCC(F)F)C1 ZINC001267628671 838083902 /nfs/dbraw/zinc/08/39/02/838083902.db2.gz GBXNOONFSWZNLA-RYUDHWBXSA-N 1 1 333.379 0.539 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)COCC(F)F)C1 ZINC001267628671 838083912 /nfs/dbraw/zinc/08/39/12/838083912.db2.gz GBXNOONFSWZNLA-RYUDHWBXSA-N 1 1 333.379 0.539 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCc2ccon2)C1 ZINC001267629241 838088866 /nfs/dbraw/zinc/08/88/66/838088866.db2.gz UFWSEHOYSNDLJM-HIFRSBDPSA-N 1 1 332.404 0.326 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCc2ccon2)C1 ZINC001267629241 838088876 /nfs/dbraw/zinc/08/88/76/838088876.db2.gz UFWSEHOYSNDLJM-HIFRSBDPSA-N 1 1 332.404 0.326 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001267638781 838115095 /nfs/dbraw/zinc/11/50/95/838115095.db2.gz RULVTZUPPWHHHU-CVEARBPZSA-N 1 1 325.453 0.300 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N2CCOCC2)C1 ZINC001267670350 838204735 /nfs/dbraw/zinc/20/47/35/838204735.db2.gz MOCPKCDBFNXCMS-KRWDZBQOSA-N 1 1 349.475 0.819 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)Cc3cccnc3C)C2)C1=O ZINC001267692964 838271492 /nfs/dbraw/zinc/27/14/92/838271492.db2.gz PEBVDNJBBFJLMY-KRWDZBQOSA-N 1 1 342.443 0.767 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001267698107 838288614 /nfs/dbraw/zinc/28/86/14/838288614.db2.gz VZPJVTUOMVHUBY-UONOGXRCSA-N 1 1 330.432 0.924 20 30 ECEDMO COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001267708788 838318273 /nfs/dbraw/zinc/31/82/73/838318273.db2.gz QIJFVQAPTOKCEP-GJZGRUSLSA-N 1 1 344.477 0.097 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001267708788 838318278 /nfs/dbraw/zinc/31/82/78/838318278.db2.gz QIJFVQAPTOKCEP-GJZGRUSLSA-N 1 1 344.477 0.097 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COCCOC ZINC001267711321 838327355 /nfs/dbraw/zinc/32/73/55/838327355.db2.gz RUVZFWNBNLPKIG-HRCADAONSA-N 1 1 340.464 0.898 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)COCCOC ZINC001267711321 838327360 /nfs/dbraw/zinc/32/73/60/838327360.db2.gz RUVZFWNBNLPKIG-HRCADAONSA-N 1 1 340.464 0.898 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267725796 838395487 /nfs/dbraw/zinc/39/54/87/838395487.db2.gz CYHYCXPAXXXPHR-RDJZCZTQSA-N 1 1 348.491 0.886 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001267727821 838408335 /nfs/dbraw/zinc/40/83/35/838408335.db2.gz WKTRFFTZPZOQJD-HOCLYGCPSA-N 1 1 345.447 0.335 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001267727821 838408339 /nfs/dbraw/zinc/40/83/39/838408339.db2.gz WKTRFFTZPZOQJD-HOCLYGCPSA-N 1 1 345.447 0.335 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001267728501 838410862 /nfs/dbraw/zinc/41/08/62/838410862.db2.gz BRJDDXVXDUUXFW-HNNXBMFYSA-N 1 1 332.404 0.608 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001267728501 838410865 /nfs/dbraw/zinc/41/08/65/838410865.db2.gz BRJDDXVXDUUXFW-HNNXBMFYSA-N 1 1 332.404 0.608 20 30 ECEDMO C#CC[N@H+](C)CC1CCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC001267730379 838416607 /nfs/dbraw/zinc/41/66/07/838416607.db2.gz UJETXODFWFDWOZ-UHFFFAOYSA-N 1 1 343.427 0.968 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC001267730918 838417319 /nfs/dbraw/zinc/41/73/19/838417319.db2.gz GTNYHRNYCKIAFL-HNNXBMFYSA-N 1 1 346.431 0.846 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC001267730918 838417322 /nfs/dbraw/zinc/41/73/22/838417322.db2.gz GTNYHRNYCKIAFL-HNNXBMFYSA-N 1 1 346.431 0.846 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC001267743971 838446228 /nfs/dbraw/zinc/44/62/28/838446228.db2.gz CFZVQJTVCHQZGO-MCIONIFRSA-N 1 1 347.381 0.588 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCOCC2)C1 ZINC001267750746 838472199 /nfs/dbraw/zinc/47/21/99/838472199.db2.gz FHCHOBZJKPMFHI-LSDHHAIUSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(CC)CCOCC2)C1 ZINC001267750746 838472205 /nfs/dbraw/zinc/47/22/05/838472205.db2.gz FHCHOBZJKPMFHI-LSDHHAIUSA-N 1 1 335.448 0.522 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCOC)C1 ZINC001267755270 838480580 /nfs/dbraw/zinc/48/05/80/838480580.db2.gz FMQOSTFSKAWCBK-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCOC)C1 ZINC001267755270 838480586 /nfs/dbraw/zinc/48/05/86/838480586.db2.gz FMQOSTFSKAWCBK-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3cccnc23)C1 ZINC001267767114 838501527 /nfs/dbraw/zinc/50/15/27/838501527.db2.gz DNUQNTUNMVXYLC-CQSZACIVSA-N 1 1 327.388 0.525 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn3cccnc23)C1 ZINC001267767114 838501536 /nfs/dbraw/zinc/50/15/36/838501536.db2.gz DNUQNTUNMVXYLC-CQSZACIVSA-N 1 1 327.388 0.525 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cncc(CC)c2)C1 ZINC001267766340 838504468 /nfs/dbraw/zinc/50/44/68/838504468.db2.gz ADQMQNHURJSKDL-YOEHRIQHSA-N 1 1 342.443 0.928 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cncc(CC)c2)C1 ZINC001267766340 838504478 /nfs/dbraw/zinc/50/44/78/838504478.db2.gz ADQMQNHURJSKDL-YOEHRIQHSA-N 1 1 342.443 0.928 20 30 ECEDMO C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001267769494 838515965 /nfs/dbraw/zinc/51/59/65/838515965.db2.gz XVNOJQUHWLXHRO-INIZCTEOSA-N 1 1 336.480 0.697 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2nccn3ccnc23)C1 ZINC001267772469 838528202 /nfs/dbraw/zinc/52/82/02/838528202.db2.gz UMSHGFUSSNIZSW-AWEZNQCLSA-N 1 1 327.388 0.525 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2nccn3ccnc23)C1 ZINC001267772469 838528209 /nfs/dbraw/zinc/52/82/09/838528209.db2.gz UMSHGFUSSNIZSW-AWEZNQCLSA-N 1 1 327.388 0.525 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2nccs2)C1 ZINC001267776952 838541700 /nfs/dbraw/zinc/54/17/00/838541700.db2.gz HHJZPTISXFWVMF-CYBMUJFWSA-N 1 1 334.445 0.358 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2nccs2)C1 ZINC001267776952 838541705 /nfs/dbraw/zinc/54/17/05/838541705.db2.gz HHJZPTISXFWVMF-CYBMUJFWSA-N 1 1 334.445 0.358 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001267782885 838558472 /nfs/dbraw/zinc/55/84/72/838558472.db2.gz BZFXSRLSSWAKPI-JSGCOSHPSA-N 1 1 348.451 0.269 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001267782885 838558476 /nfs/dbraw/zinc/55/84/76/838558476.db2.gz BZFXSRLSSWAKPI-JSGCOSHPSA-N 1 1 348.451 0.269 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001267784342 838560041 /nfs/dbraw/zinc/56/00/41/838560041.db2.gz OWEKIIDPTCYDRO-MAUKXSAKSA-N 1 1 337.464 0.859 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001267784342 838560049 /nfs/dbraw/zinc/56/00/49/838560049.db2.gz OWEKIIDPTCYDRO-MAUKXSAKSA-N 1 1 337.464 0.859 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC001267785173 838562038 /nfs/dbraw/zinc/56/20/38/838562038.db2.gz TZBOTFQNDOQEEN-RHSMWYFYSA-N 1 1 325.453 0.763 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001267785173 838562043 /nfs/dbraw/zinc/56/20/43/838562043.db2.gz TZBOTFQNDOQEEN-RHSMWYFYSA-N 1 1 325.453 0.763 20 30 ECEDMO CC[C@H](CNC(=O)C#CC(C)C)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001267803821 838581625 /nfs/dbraw/zinc/58/16/25/838581625.db2.gz WHJQBZVTZFDNDD-JKSUJKDBSA-N 1 1 347.463 0.958 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@]1(NC(=O)CN2CCCC2)CCCC[C@@H]1C ZINC001267872689 838668339 /nfs/dbraw/zinc/66/83/39/838668339.db2.gz PSYGAGXCIWXVCQ-LPHOPBHVSA-N 1 1 348.491 0.486 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001267919716 838793536 /nfs/dbraw/zinc/79/35/36/838793536.db2.gz QPDRNPRXRHGGEY-DGCLKSJQSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001267919716 838793544 /nfs/dbraw/zinc/79/35/44/838793544.db2.gz QPDRNPRXRHGGEY-DGCLKSJQSA-N 1 1 327.375 0.750 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001267931560 838813060 /nfs/dbraw/zinc/81/30/60/838813060.db2.gz WGPWZTWBHLMMLL-ZIAGYGMSSA-N 1 1 331.482 0.861 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC2(CC[N@H+](CC(=O)NCC)C2)CC1 ZINC001267973210 838904973 /nfs/dbraw/zinc/90/49/73/838904973.db2.gz IFXFVPGNGKJXEF-QGZVFWFLSA-N 1 1 337.464 0.764 20 30 ECEDMO N#CCSCC(=O)NC[C@@H]1C[N@@H+](CCC2CCOCC2)CCO1 ZINC001268018079 838984745 /nfs/dbraw/zinc/98/47/45/838984745.db2.gz OPVJCOHJSOAMBJ-OAHLLOKOSA-N 1 1 341.477 0.877 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2ncc3cccnc32)C1 ZINC001268024002 839011056 /nfs/dbraw/zinc/01/10/56/839011056.db2.gz VFYURSGVQUONRR-HNNXBMFYSA-N 1 1 327.388 0.272 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@H](CNC(=O)Cn2ncc3cccnc32)C1 ZINC001268024002 839011070 /nfs/dbraw/zinc/01/10/70/839011070.db2.gz VFYURSGVQUONRR-HNNXBMFYSA-N 1 1 327.388 0.272 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C3=CCOCC3)CC2)C1=O ZINC000981024460 839324628 /nfs/dbraw/zinc/32/46/28/839324628.db2.gz OAFODBBUKPSGMM-MRXNPFEDSA-N 1 1 333.432 0.654 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C3=CCOCC3)CC2)C1=O ZINC000981024460 839324638 /nfs/dbraw/zinc/32/46/38/839324638.db2.gz OAFODBBUKPSGMM-MRXNPFEDSA-N 1 1 333.432 0.654 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000174831994 231321537 /nfs/dbraw/zinc/32/15/37/231321537.db2.gz YDAWLKINALPZPQ-UHFFFAOYSA-N 1 1 327.348 0.880 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1sccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000427730476 210214063 /nfs/dbraw/zinc/21/40/63/210214063.db2.gz FXVHNUHGCJYKJE-LBPRGKRZSA-N 1 1 341.458 0.811 20 30 ECEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)N3CCNC3=O)CC2)c1 ZINC000104715304 219404802 /nfs/dbraw/zinc/40/48/02/219404802.db2.gz YVRMAKZJPPZWPY-UHFFFAOYSA-N 1 1 328.372 0.953 20 30 ECEDMO N#Cc1cc(F)c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(F)c1 ZINC000267962692 283095952 /nfs/dbraw/zinc/09/59/52/283095952.db2.gz DGUCCOMANWYDRU-ZDUSSCGKSA-N 1 1 336.342 0.906 20 30 ECEDMO CCN(C)C(=O)[C@H](C)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000331213283 284310812 /nfs/dbraw/zinc/31/08/12/284310812.db2.gz LLTBPZSKPOKOBQ-ZDUSSCGKSA-N 1 1 328.457 0.810 20 30 ECEDMO CCN(C)C(=O)[C@H](C)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000331213283 284310818 /nfs/dbraw/zinc/31/08/18/284310818.db2.gz LLTBPZSKPOKOBQ-ZDUSSCGKSA-N 1 1 328.457 0.810 20 30 ECEDMO COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000411903494 208162928 /nfs/dbraw/zinc/16/29/28/208162928.db2.gz KEYMNGISVLQXIQ-DZGCQCFKSA-N 1 1 344.415 0.922 20 30 ECEDMO CS(=O)(=O)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000429395331 210316185 /nfs/dbraw/zinc/31/61/85/210316185.db2.gz STPBLSRPYUQRKS-GJZGRUSLSA-N 1 1 338.429 0.664 20 30 ECEDMO CS(=O)(=O)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000429395331 210316189 /nfs/dbraw/zinc/31/61/89/210316189.db2.gz STPBLSRPYUQRKS-GJZGRUSLSA-N 1 1 338.429 0.664 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000425908905 254785336 /nfs/dbraw/zinc/78/53/36/254785336.db2.gz LBCXXJMAYYSMSA-JONQDZQNSA-N 1 1 337.464 0.882 20 30 ECEDMO CN(C)C(=O)OC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000495595909 255022769 /nfs/dbraw/zinc/02/27/69/255022769.db2.gz IOWQIMJZFCWGIH-UHFFFAOYSA-N 1 1 335.408 0.805 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1 ZINC000495865659 255050978 /nfs/dbraw/zinc/05/09/78/255050978.db2.gz BCBSWYNYEWSCFH-MRXNPFEDSA-N 1 1 342.399 0.949 20 30 ECEDMO C=CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)nn1 ZINC000496224338 255082542 /nfs/dbraw/zinc/08/25/42/255082542.db2.gz HFVXVQUHMXXVAQ-CYBMUJFWSA-N 1 1 325.413 0.782 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000284953555 292125882 /nfs/dbraw/zinc/12/58/82/292125882.db2.gz JGAGYALDLWYBJT-KSSFIOAISA-N 1 1 344.415 0.552 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000284953555 292125884 /nfs/dbraw/zinc/12/58/84/292125884.db2.gz JGAGYALDLWYBJT-KSSFIOAISA-N 1 1 344.415 0.552 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000249142482 165193731 /nfs/dbraw/zinc/19/37/31/165193731.db2.gz ZNIUKYJGNWXUCZ-HOTGVXAUSA-N 1 1 342.399 0.106 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000249142482 165193732 /nfs/dbraw/zinc/19/37/32/165193732.db2.gz ZNIUKYJGNWXUCZ-HOTGVXAUSA-N 1 1 342.399 0.106 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC001041696857 782013884 /nfs/dbraw/zinc/01/38/84/782013884.db2.gz XPPQIOAQWGZJRK-JTDSTZFVSA-N 1 1 347.459 0.781 20 30 ECEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 ZINC000377069759 287271935 /nfs/dbraw/zinc/27/19/35/287271935.db2.gz CJPBNMMLCLFYGC-CABCVRRESA-N 1 1 335.452 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC001041704103 782022504 /nfs/dbraw/zinc/02/25/04/782022504.db2.gz OBHUTTTWJUMSJH-RHSMWYFYSA-N 1 1 330.436 0.736 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)CC1 ZINC000491043284 420608781 /nfs/dbraw/zinc/60/87/81/420608781.db2.gz AFEOLPMRBWBCCQ-HNNXBMFYSA-N 1 1 342.447 0.016 20 30 ECEDMO Cn1cc(C#N)c(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000610821414 420597688 /nfs/dbraw/zinc/59/76/88/420597688.db2.gz XHAZKQCVQRNQHO-CYBMUJFWSA-N 1 1 345.407 0.062 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(C#N)nc2)CC1 ZINC000115026885 263145736 /nfs/dbraw/zinc/14/57/36/263145736.db2.gz IOJMPENDTGLVGD-OAHLLOKOSA-N 1 1 327.388 0.332 20 30 ECEDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000273073133 263392061 /nfs/dbraw/zinc/39/20/61/263392061.db2.gz HNFCOLDARJSSPT-UHFFFAOYSA-N 1 1 348.403 0.590 20 30 ECEDMO N#Cc1cc(C(=O)NCCCCN2CC[NH+](CCO)CC2)ccc1F ZINC000354409649 270006768 /nfs/dbraw/zinc/00/67/68/270006768.db2.gz XWCZFVCBNRZOBF-UHFFFAOYSA-N 1 1 348.422 0.817 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000377751849 270007779 /nfs/dbraw/zinc/00/77/79/270007779.db2.gz YAKQXWBWYVLJKE-MRXNPFEDSA-N 1 1 348.472 0.959 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000297594026 265162938 /nfs/dbraw/zinc/16/29/38/265162938.db2.gz UKHORGGBZDPYQV-CYBMUJFWSA-N 1 1 344.375 0.604 20 30 ECEDMO C[C@@H]1CN(C(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)C[C@H](C)O1 ZINC000373402527 267037876 /nfs/dbraw/zinc/03/78/76/267037876.db2.gz BIFZOGUZZZNEAA-BETUJISGSA-N 1 1 332.408 0.422 20 30 ECEDMO C[C@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)n1cnc(C#N)n1 ZINC000336968441 267123179 /nfs/dbraw/zinc/12/31/79/267123179.db2.gz MSNZVSLOZPCDSA-CYBMUJFWSA-N 1 1 334.424 0.528 20 30 ECEDMO C[C@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)n1cnc(C#N)n1 ZINC000336972175 267125517 /nfs/dbraw/zinc/12/55/17/267125517.db2.gz QFIWNABBOXHJIL-GFCCVEGCSA-N 1 1 327.392 0.926 20 30 ECEDMO C[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)n1cnc(C#N)n1 ZINC000344241463 267131962 /nfs/dbraw/zinc/13/19/62/267131962.db2.gz VSOMCDJUZGCRBN-CQSZACIVSA-N 1 1 346.435 0.862 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289435438 267242268 /nfs/dbraw/zinc/24/22/68/267242268.db2.gz YFARWDPZHFYTJF-DZGCQCFKSA-N 1 1 330.436 0.314 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)c(F)c1 ZINC000303262746 268116946 /nfs/dbraw/zinc/11/69/46/268116946.db2.gz QFRASRHJVOHOPS-INIZCTEOSA-N 1 1 348.422 0.512 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1F ZINC000296355723 268205966 /nfs/dbraw/zinc/20/59/66/268205966.db2.gz WKJOBLAZVDLRDJ-ZDUSSCGKSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1F ZINC000296355723 268205971 /nfs/dbraw/zinc/20/59/71/268205971.db2.gz WKJOBLAZVDLRDJ-ZDUSSCGKSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC[NH2+]CC3(F)F)CC2)c1 ZINC000342733839 268292560 /nfs/dbraw/zinc/29/25/60/268292560.db2.gz OTFVOWGTNGTRJV-CYBMUJFWSA-N 1 1 335.358 0.847 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000528391009 268296296 /nfs/dbraw/zinc/29/62/96/268296296.db2.gz QMPQLJGMSWVUJJ-WMZOPIPTSA-N 1 1 345.443 0.952 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000491799576 277102267 /nfs/dbraw/zinc/10/22/67/277102267.db2.gz UZRPITKZPDVRJL-KQQSKNTNSA-N 1 1 328.416 0.964 20 30 ECEDMO CC(C)(C)N1C[C@H](NC(=O)NCC[NH+]2CCSCC2)CC1=O ZINC000330243256 277161515 /nfs/dbraw/zinc/16/15/15/277161515.db2.gz JRWNVDXZOIPXJB-GFCCVEGCSA-N 1 1 328.482 0.938 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000330722904 437599550 /nfs/dbraw/zinc/59/95/50/437599550.db2.gz YRICTCRFOXRUCQ-LSDHHAIUSA-N 1 1 336.436 0.318 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000446063335 280134733 /nfs/dbraw/zinc/13/47/33/280134733.db2.gz XYNMHFIJZRZKCD-HOTGVXAUSA-N 1 1 336.480 0.772 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000354400630 437606015 /nfs/dbraw/zinc/60/60/15/437606015.db2.gz WBCNVJQUGWDSKB-CYBMUJFWSA-N 1 1 339.417 0.699 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000354400630 437606021 /nfs/dbraw/zinc/60/60/21/437606021.db2.gz WBCNVJQUGWDSKB-CYBMUJFWSA-N 1 1 339.417 0.699 20 30 ECEDMO COC(=O)c1cn(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)nn1 ZINC000330759436 437607297 /nfs/dbraw/zinc/60/72/97/437607297.db2.gz KIOINYLZIZRAQK-CYBMUJFWSA-N 1 1 338.412 0.251 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)CCCCC#N)CC1 ZINC000354424711 437613823 /nfs/dbraw/zinc/61/38/23/437613823.db2.gz GOCSWCUHSDVKQZ-CQSZACIVSA-N 1 1 342.465 0.248 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@H]1O ZINC001077977882 782059165 /nfs/dbraw/zinc/05/91/65/782059165.db2.gz UEJBXZFVEURPNY-MGPQQGTHSA-N 1 1 335.404 0.456 20 30 ECEDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000349536069 300247788 /nfs/dbraw/zinc/24/77/88/300247788.db2.gz MELBVTBTFOTPQP-ZDUSSCGKSA-N 1 1 329.466 0.787 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000349536069 300247790 /nfs/dbraw/zinc/24/77/90/300247790.db2.gz MELBVTBTFOTPQP-ZDUSSCGKSA-N 1 1 329.466 0.787 20 30 ECEDMO C=CC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC1CCCCC1 ZINC000069860316 435970560 /nfs/dbraw/zinc/97/05/60/435970560.db2.gz SZVPDLKMLITLLI-UHFFFAOYSA-N 1 1 348.447 0.917 20 30 ECEDMO C=CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC1CCCCC1 ZINC000069860316 435970564 /nfs/dbraw/zinc/97/05/64/435970564.db2.gz SZVPDLKMLITLLI-UHFFFAOYSA-N 1 1 348.447 0.917 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000073243661 436071754 /nfs/dbraw/zinc/07/17/54/436071754.db2.gz IXIRTKQLDHFXMQ-KRWDZBQOSA-N 1 1 328.416 0.928 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000073243661 436071758 /nfs/dbraw/zinc/07/17/58/436071758.db2.gz IXIRTKQLDHFXMQ-KRWDZBQOSA-N 1 1 328.416 0.928 20 30 ECEDMO N#CCN1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000073851885 436095260 /nfs/dbraw/zinc/09/52/60/436095260.db2.gz WPXAIOIYQPVVMU-SFHVURJKSA-N 1 1 342.443 0.945 20 30 ECEDMO N#CCN1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000073851885 436095263 /nfs/dbraw/zinc/09/52/63/436095263.db2.gz WPXAIOIYQPVVMU-SFHVURJKSA-N 1 1 342.443 0.945 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCOc2ccc(OC)cc2)CC1 ZINC000023264850 436125880 /nfs/dbraw/zinc/12/58/80/436125880.db2.gz GQKSATRZIHKCLK-UHFFFAOYSA-N 1 1 333.432 0.994 20 30 ECEDMO Cn1c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(C#N)c(=O)n(C)c1=O ZINC000078527195 436270203 /nfs/dbraw/zinc/27/02/03/436270203.db2.gz CDZVCCDTMAPEDZ-ZDUSSCGKSA-N 1 1 331.420 0.632 20 30 ECEDMO C[N@H+](CCN1CCOCC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083172065 436368705 /nfs/dbraw/zinc/36/87/05/436368705.db2.gz KOLDXHMWQCSWMF-CQSZACIVSA-N 1 1 334.445 0.989 20 30 ECEDMO C[N@@H+](CCN1CCOCC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083172065 436368707 /nfs/dbraw/zinc/36/87/07/436368707.db2.gz KOLDXHMWQCSWMF-CQSZACIVSA-N 1 1 334.445 0.989 20 30 ECEDMO C[N@H+](CCN1CCOCC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083172069 436368759 /nfs/dbraw/zinc/36/87/59/436368759.db2.gz KOLDXHMWQCSWMF-AWEZNQCLSA-N 1 1 334.445 0.989 20 30 ECEDMO C[N@@H+](CCN1CCOCC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083172069 436368762 /nfs/dbraw/zinc/36/87/62/436368762.db2.gz KOLDXHMWQCSWMF-AWEZNQCLSA-N 1 1 334.445 0.989 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000086446692 436394247 /nfs/dbraw/zinc/39/42/47/436394247.db2.gz NIAVIWQPFCRJGG-CYBMUJFWSA-N 1 1 332.408 0.583 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000091218244 436445850 /nfs/dbraw/zinc/44/58/50/436445850.db2.gz BZQNQUMFUHCZLE-HNNXBMFYSA-N 1 1 341.477 0.693 20 30 ECEDMO C=CCCC[C@H](C)[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000091534630 436453428 /nfs/dbraw/zinc/45/34/28/436453428.db2.gz MLRJXXVEZGPZIT-HNNXBMFYSA-N 1 1 331.482 0.926 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](CCCCO)C2CC2)CC1 ZINC000091581251 436454913 /nfs/dbraw/zinc/45/49/13/436454913.db2.gz FBMXNSWWGXWGNS-KRWDZBQOSA-N 1 1 336.480 0.916 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1(C#N)CCOCC1 ZINC000109143111 436623704 /nfs/dbraw/zinc/62/37/04/436623704.db2.gz ZCBSWGGOFQIJBU-AWEZNQCLSA-N 1 1 336.436 0.366 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@H]3CCOC3)CC2)o1 ZINC000106882459 436603889 /nfs/dbraw/zinc/60/38/89/436603889.db2.gz WRULOWOTILFLLH-ZDUSSCGKSA-N 1 1 333.392 0.224 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H]3CCOC3)CC2)o1 ZINC000106882459 436603890 /nfs/dbraw/zinc/60/38/90/436603890.db2.gz WRULOWOTILFLLH-ZDUSSCGKSA-N 1 1 333.392 0.224 20 30 ECEDMO C[N@H+]1CCC[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000057860488 436617797 /nfs/dbraw/zinc/61/77/97/436617797.db2.gz QULSAXREFRWTAU-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO CNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000111693841 436631490 /nfs/dbraw/zinc/63/14/90/436631490.db2.gz GPIQRGBOIYEGSL-CVEARBPZSA-N 1 1 331.416 0.950 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000112362203 436633295 /nfs/dbraw/zinc/63/32/95/436633295.db2.gz AFHHSFZVNPATQQ-UHFFFAOYSA-N 1 1 338.477 0.813 20 30 ECEDMO C[N@@H+](CCN1CCN(CC(=O)NCC#N)CC1)Cc1ccccc1 ZINC000066534091 436687738 /nfs/dbraw/zinc/68/77/38/436687738.db2.gz RGSDCXHKRZCQEU-UHFFFAOYSA-N 1 1 329.448 0.376 20 30 ECEDMO C=CCCOCCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000271671635 436694480 /nfs/dbraw/zinc/69/44/80/436694480.db2.gz IELZXNZNHLDZIO-CQSZACIVSA-N 1 1 327.425 0.858 20 30 ECEDMO C=CCCOCCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000271671635 436694482 /nfs/dbraw/zinc/69/44/82/436694482.db2.gz IELZXNZNHLDZIO-CQSZACIVSA-N 1 1 327.425 0.858 20 30 ECEDMO C=CC[N@@H+](C)CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000121250206 436711300 /nfs/dbraw/zinc/71/13/00/436711300.db2.gz NXQKBYFVUMMTGU-UHFFFAOYSA-N 1 1 337.424 0.390 20 30 ECEDMO C=CC[N@H+](C)CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000121250206 436711304 /nfs/dbraw/zinc/71/13/04/436711304.db2.gz NXQKBYFVUMMTGU-UHFFFAOYSA-N 1 1 337.424 0.390 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000556637776 302444468 /nfs/dbraw/zinc/44/44/68/302444468.db2.gz PSEFBNAEXHYGJN-UHFFFAOYSA-N 1 1 329.404 0.498 20 30 ECEDMO N#CC1(C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000269489016 436666406 /nfs/dbraw/zinc/66/64/06/436666406.db2.gz CAUNOEFEAKRXDQ-KRWDZBQOSA-N 1 1 343.427 0.842 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000271082872 436677766 /nfs/dbraw/zinc/67/77/66/436677766.db2.gz RVSOOUHFGANZIO-CYBMUJFWSA-N 1 1 332.408 0.644 20 30 ECEDMO C=CC[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC000271327785 436680896 /nfs/dbraw/zinc/68/08/96/436680896.db2.gz AFJFGGHGEYLRMB-UHFFFAOYSA-N 1 1 337.445 0.643 20 30 ECEDMO C=CC[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC000271327785 436680900 /nfs/dbraw/zinc/68/09/00/436680900.db2.gz AFJFGGHGEYLRMB-UHFFFAOYSA-N 1 1 337.445 0.643 20 30 ECEDMO C#CCSCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000123514705 436740480 /nfs/dbraw/zinc/74/04/80/436740480.db2.gz ZOCWBCANJXEQLF-UHFFFAOYSA-N 1 1 343.412 0.997 20 30 ECEDMO CCO[C@H]1C[C@H](O)C12CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000152803009 436741358 /nfs/dbraw/zinc/74/13/58/436741358.db2.gz HHAGAANJLGLXIT-HOTGVXAUSA-N 1 1 348.447 0.894 20 30 ECEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CN1CCOCC1 ZINC000069520926 436777735 /nfs/dbraw/zinc/77/77/35/436777735.db2.gz AARCIHJGWUYNNS-GOSISDBHSA-N 1 1 333.432 0.700 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247053833 436788920 /nfs/dbraw/zinc/78/89/20/436788920.db2.gz OLMISGYBXXAXRL-JKSUJKDBSA-N 1 1 331.416 0.864 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247053833 436788921 /nfs/dbraw/zinc/78/89/21/436788921.db2.gz OLMISGYBXXAXRL-JKSUJKDBSA-N 1 1 331.416 0.864 20 30 ECEDMO CNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000155914574 436805533 /nfs/dbraw/zinc/80/55/33/436805533.db2.gz LFZFRMDRBNKSBA-NSHDSACASA-N 1 1 342.446 0.572 20 30 ECEDMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000155914574 436805537 /nfs/dbraw/zinc/80/55/37/436805537.db2.gz LFZFRMDRBNKSBA-NSHDSACASA-N 1 1 342.446 0.572 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)[NH+]1CCSCC1 ZINC000131612069 436855834 /nfs/dbraw/zinc/85/58/34/436855834.db2.gz GVBLHQIMSGSBCQ-OAHLLOKOSA-N 1 1 340.493 0.498 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)NCCC[N@H+](C)CC#C ZINC000293237849 436858566 /nfs/dbraw/zinc/85/85/66/436858566.db2.gz CPWVGFUWTUTCHC-UHFFFAOYSA-N 1 1 327.384 0.708 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000293232150 436859385 /nfs/dbraw/zinc/85/93/85/436859385.db2.gz CJJDUGUGPXWDEZ-UHFFFAOYSA-N 1 1 339.399 0.882 20 30 ECEDMO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000157497605 436829528 /nfs/dbraw/zinc/82/95/28/436829528.db2.gz OVMKXOXNRDDCRV-WFASDCNBSA-N 1 1 330.388 0.123 20 30 ECEDMO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157497605 436829534 /nfs/dbraw/zinc/82/95/34/436829534.db2.gz OVMKXOXNRDDCRV-WFASDCNBSA-N 1 1 330.388 0.123 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cn1cc(Br)ccc1=O ZINC000293916966 436918296 /nfs/dbraw/zinc/91/82/96/436918296.db2.gz GNYDLMVYAUBROB-UHFFFAOYSA-N 1 1 340.221 0.682 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccnc2c(C(=O)OCC)cnn21 ZINC000293908034 436918601 /nfs/dbraw/zinc/91/86/01/436918601.db2.gz FUIVVIRTPHEMSQ-UHFFFAOYSA-N 1 1 343.387 0.591 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262254654 436919418 /nfs/dbraw/zinc/91/94/18/436919418.db2.gz QLVWEIYDMHBLDT-IAGOWNOFSA-N 1 1 348.491 0.767 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c(F)c1 ZINC000135644361 436921134 /nfs/dbraw/zinc/92/11/34/436921134.db2.gz SHSAOWFXFCXKBJ-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000274798301 436875188 /nfs/dbraw/zinc/87/51/88/436875188.db2.gz MSWVRPRRPLOXIV-UHFFFAOYSA-N 1 1 347.440 0.802 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000293424981 436876324 /nfs/dbraw/zinc/87/63/24/436876324.db2.gz QHCPMCHWIXCZAW-UHFFFAOYSA-N 1 1 339.399 0.882 20 30 ECEDMO CC[NH+]=C(NCc1sc(C)nc1C)NC[C@H]1CN2CCN1CC2 ZINC000261634907 436881563 /nfs/dbraw/zinc/88/15/63/436881563.db2.gz BDZMUYZRXDMRPW-AWEZNQCLSA-N 1 1 336.509 0.815 20 30 ECEDMO C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@@H]1CN2CCN1CC2 ZINC000261702054 436883791 /nfs/dbraw/zinc/88/37/91/436883791.db2.gz GHGRODNOQHZZHK-CQSZACIVSA-N 1 1 336.509 0.467 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)NC[C@@](C)(O)c1cccs1 ZINC000261733829 436884527 /nfs/dbraw/zinc/88/45/27/436884527.db2.gz LVGYFPPUKZILLD-XJKSGUPXSA-N 1 1 337.493 0.120 20 30 ECEDMO CCN(CCC#N)C(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134120689 436890601 /nfs/dbraw/zinc/89/06/01/436890601.db2.gz JBVCUNSHQUPVTN-UHFFFAOYSA-N 1 1 345.451 0.427 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261934259 436898621 /nfs/dbraw/zinc/89/86/21/436898621.db2.gz CCOUAROKFGMFEF-HZPDHXFCSA-N 1 1 346.479 0.356 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000293723698 436902719 /nfs/dbraw/zinc/90/27/19/436902719.db2.gz FXISFGAUSHJSEG-ZDUSSCGKSA-N 1 1 326.422 0.078 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162430120 436905535 /nfs/dbraw/zinc/90/55/35/436905535.db2.gz BRRSOXAZMOECAL-DLBZAZTESA-N 1 1 348.491 0.814 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000294827960 436961619 /nfs/dbraw/zinc/96/16/19/436961619.db2.gz QVMWHGWFLKVGRK-UHFFFAOYSA-N 1 1 343.431 0.518 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCC)[C@@H](CC(=O)NCCC)C(N)=O)C1=O ZINC000281414645 436967282 /nfs/dbraw/zinc/96/72/82/436967282.db2.gz RKJPIAUTYHPYFR-KGLIPLIRSA-N 1 1 338.452 0.256 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCC)[C@@H](CC(=O)NCCC)C(N)=O)C1=O ZINC000281414645 436967288 /nfs/dbraw/zinc/96/72/88/436967288.db2.gz RKJPIAUTYHPYFR-KGLIPLIRSA-N 1 1 338.452 0.256 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000294057239 436930730 /nfs/dbraw/zinc/93/07/30/436930730.db2.gz USRPTCOOLSEAOV-UHFFFAOYSA-N 1 1 326.393 0.914 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000294057239 436930731 /nfs/dbraw/zinc/93/07/31/436930731.db2.gz USRPTCOOLSEAOV-UHFFFAOYSA-N 1 1 326.393 0.914 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000294064101 436932527 /nfs/dbraw/zinc/93/25/27/436932527.db2.gz VEUFWEPZAVMXOD-UHFFFAOYSA-N 1 1 329.447 0.341 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N[C@H]1CCOc2ccccc21 ZINC000262820686 436942908 /nfs/dbraw/zinc/94/29/08/436942908.db2.gz YCFAOMWBZLWBLS-HOCLYGCPSA-N 1 1 329.448 0.675 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000170690178 436950156 /nfs/dbraw/zinc/95/01/56/436950156.db2.gz QRTKEBOKMHJLMF-GFCCVEGCSA-N 1 1 326.397 0.702 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000170690178 436950157 /nfs/dbraw/zinc/95/01/57/436950157.db2.gz QRTKEBOKMHJLMF-GFCCVEGCSA-N 1 1 326.397 0.702 20 30 ECEDMO C[C@H](C#N)C[N@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000264217006 437019606 /nfs/dbraw/zinc/01/96/06/437019606.db2.gz OBIKDGRFDFPVOU-GFCCVEGCSA-N 1 1 335.408 0.754 20 30 ECEDMO C[C@H](C#N)C[N@@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000264217006 437019610 /nfs/dbraw/zinc/01/96/10/437019610.db2.gz OBIKDGRFDFPVOU-GFCCVEGCSA-N 1 1 335.408 0.754 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000172656609 437023758 /nfs/dbraw/zinc/02/37/58/437023758.db2.gz FDTIJKNRQHDTCS-CYBMUJFWSA-N 1 1 344.415 0.890 20 30 ECEDMO N#C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CCO1 ZINC000264423867 437027734 /nfs/dbraw/zinc/02/77/34/437027734.db2.gz VEWPNVKECOTGGF-DLBZAZTESA-N 1 1 329.400 0.935 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000296383068 436989878 /nfs/dbraw/zinc/98/98/78/436989878.db2.gz PVHBRYGZVNNMQB-OAHLLOKOSA-N 1 1 330.436 0.700 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000296860275 436998874 /nfs/dbraw/zinc/99/88/74/436998874.db2.gz KLJOSFUZUQMDAK-IAGOWNOFSA-N 1 1 333.432 0.725 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](CCO)CCCO)c(OC)c1 ZINC000264638305 437057713 /nfs/dbraw/zinc/05/77/13/437057713.db2.gz UHEZNXHRPWXYMD-INIZCTEOSA-N 1 1 339.432 0.840 20 30 ECEDMO Cn1ncnc1[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328878784 303099984 /nfs/dbraw/zinc/09/99/84/303099984.db2.gz LEBIHVXDOXEBOW-MCIONIFRSA-N 1 1 334.424 0.729 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000343895646 303152225 /nfs/dbraw/zinc/15/22/25/303152225.db2.gz HTRCJSZHOJACDS-GJZGRUSLSA-N 1 1 331.420 0.633 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000363078018 303152652 /nfs/dbraw/zinc/15/26/52/303152652.db2.gz FVLAAJAQTFHLEA-KKUMJFAQSA-N 1 1 331.420 0.761 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000363078018 303152654 /nfs/dbraw/zinc/15/26/54/303152654.db2.gz FVLAAJAQTFHLEA-KKUMJFAQSA-N 1 1 331.420 0.761 20 30 ECEDMO C=C(Cl)CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000265559946 437151440 /nfs/dbraw/zinc/15/14/40/437151440.db2.gz SGLCSGXYKUCULI-CYBMUJFWSA-N 1 1 329.828 0.568 20 30 ECEDMO Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000328620752 437241096 /nfs/dbraw/zinc/24/10/96/437241096.db2.gz XDGJUBDBCVSJTJ-CYBMUJFWSA-N 1 1 332.408 0.934 20 30 ECEDMO Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000328620752 437241098 /nfs/dbraw/zinc/24/10/98/437241098.db2.gz XDGJUBDBCVSJTJ-CYBMUJFWSA-N 1 1 332.408 0.934 20 30 ECEDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)[C@H](C)C1 ZINC000287843217 437243875 /nfs/dbraw/zinc/24/38/75/437243875.db2.gz MBKPIWANJKRIPA-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)[C@H](C)C1 ZINC000287843217 437243879 /nfs/dbraw/zinc/24/38/79/437243879.db2.gz MBKPIWANJKRIPA-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1C[C@@H]2COC[C@H](C1)O2)[NH+]1CCOCC1 ZINC000328802664 437264661 /nfs/dbraw/zinc/26/46/61/437264661.db2.gz MLIBTIDKFGLUHT-ZNMIVQPWSA-N 1 1 327.425 0.357 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000336900598 437308628 /nfs/dbraw/zinc/30/86/28/437308628.db2.gz BLXYIVOHWNOCLT-GJZGRUSLSA-N 1 1 346.497 0.946 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000336929604 437312566 /nfs/dbraw/zinc/31/25/66/437312566.db2.gz YMWXTIDFHJAFFW-CQSZACIVSA-N 1 1 332.470 0.557 20 30 ECEDMO C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC[N@H+](CC)CCC)C1=O ZINC000288393317 437317144 /nfs/dbraw/zinc/31/71/44/437317144.db2.gz YIMWVGUPIPBCHR-AWEZNQCLSA-N 1 1 338.452 0.080 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000333496798 437272199 /nfs/dbraw/zinc/27/21/99/437272199.db2.gz CCKIXPHEDYFVAF-UHFFFAOYSA-N 1 1 345.428 0.944 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3nccs3)c2)C1 ZINC001077981600 782068128 /nfs/dbraw/zinc/06/81/28/782068128.db2.gz UDKPXUXHUPGVHG-CHWSQXEVSA-N 1 1 333.417 0.680 20 30 ECEDMO Cc1nc2ccnn2c(C)c1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000328878233 437276066 /nfs/dbraw/zinc/27/60/66/437276066.db2.gz KYMGHXSLUVVVNR-QGZVFWFLSA-N 1 1 347.419 0.734 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001077981366 782066455 /nfs/dbraw/zinc/06/64/55/782066455.db2.gz KRBHTVRGOJOBCK-ZIAGYGMSSA-N 1 1 330.392 0.161 20 30 ECEDMO CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000328901175 437281493 /nfs/dbraw/zinc/28/14/93/437281493.db2.gz YTCHNSUCZVSJES-WCQYABFASA-N 1 1 335.495 0.457 20 30 ECEDMO C=CCNC(=O)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000180439645 437291697 /nfs/dbraw/zinc/29/16/97/437291697.db2.gz AUBRTWAERDFMOZ-ZBFHGGJFSA-N 1 1 345.447 0.893 20 30 ECEDMO CC(C)N1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000329332015 437353410 /nfs/dbraw/zinc/35/34/10/437353410.db2.gz MSSJASMVCQBFJH-UHFFFAOYSA-N 1 1 339.484 0.479 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000329363213 437358327 /nfs/dbraw/zinc/35/83/27/437358327.db2.gz JCBINMRQJDRRDA-TYNCELHUSA-N 1 1 326.466 0.643 20 30 ECEDMO Cc1cnn([C@@H]2CCCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)c1 ZINC000329380386 437359801 /nfs/dbraw/zinc/35/98/01/437359801.db2.gz PVLBHKFFDLJUQI-CVEARBPZSA-N 1 1 334.468 0.988 20 30 ECEDMO Cc1cnn([C@@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)c1 ZINC000329380386 437359807 /nfs/dbraw/zinc/35/98/07/437359807.db2.gz PVLBHKFFDLJUQI-CVEARBPZSA-N 1 1 334.468 0.988 20 30 ECEDMO C=CC[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000182873961 437365850 /nfs/dbraw/zinc/36/58/50/437365850.db2.gz HGZWZLOPQBZNFD-OAHLLOKOSA-N 1 1 348.451 0.225 20 30 ECEDMO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1C[C@H]([NH+]3CCOCC3)C[C@H]1C)CC2 ZINC000329423611 437367664 /nfs/dbraw/zinc/36/76/64/437367664.db2.gz HVLWSAFZSUUAKK-BPLDGKMQSA-N 1 1 348.451 0.610 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041729277 782068707 /nfs/dbraw/zinc/06/87/07/782068707.db2.gz DHTWEKXQKDKVTI-QILLFSRXSA-N 1 1 335.448 0.767 20 30 ECEDMO CCOC(=O)CON=C(C(=O)NCC(C)(C)[NH+](C)C)c1ccn[nH]1 ZINC000279055688 437369256 /nfs/dbraw/zinc/36/92/56/437369256.db2.gz MRLMBVZSPPZPKQ-CPNJWEJPSA-N 1 1 339.396 0.150 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCC(=O)N1CCCCCC1 ZINC000329450165 437370538 /nfs/dbraw/zinc/37/05/38/437370538.db2.gz LJWFOKXZGDQZAU-HNNXBMFYSA-N 1 1 339.484 0.529 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000183061204 437373532 /nfs/dbraw/zinc/37/35/32/437373532.db2.gz MSTQXPHJRVCGQX-KBPBESRZSA-N 1 1 334.445 0.524 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000337066075 437325506 /nfs/dbraw/zinc/32/55/06/437325506.db2.gz WKHOVOBVXZWSHZ-QGZVFWFLSA-N 1 1 325.372 0.540 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000337066073 437325933 /nfs/dbraw/zinc/32/59/33/437325933.db2.gz WKHOVOBVXZWSHZ-KRWDZBQOSA-N 1 1 325.372 0.540 20 30 ECEDMO C#CCNC(=O)c1ccc(N(C)CC[N@@H+]2CCOC(C)(C)C2)nc1 ZINC000278598359 437325996 /nfs/dbraw/zinc/32/59/96/437325996.db2.gz FANQOYIAESBKDF-UHFFFAOYSA-N 1 1 330.432 0.992 20 30 ECEDMO C#CCNC(=O)c1ccc(N(C)CC[N@H+]2CCOC(C)(C)C2)nc1 ZINC000278598359 437326000 /nfs/dbraw/zinc/32/60/00/437326000.db2.gz FANQOYIAESBKDF-UHFFFAOYSA-N 1 1 330.432 0.992 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000337148028 437336063 /nfs/dbraw/zinc/33/60/63/437336063.db2.gz GTEWCCBDSYYRIU-KGLIPLIRSA-N 1 1 328.438 0.062 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000182096856 437337913 /nfs/dbraw/zinc/33/79/13/437337913.db2.gz ULTRKAUJQCFYGN-YOEHRIQHSA-N 1 1 338.452 0.610 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000182096856 437337918 /nfs/dbraw/zinc/33/79/18/437337918.db2.gz ULTRKAUJQCFYGN-YOEHRIQHSA-N 1 1 338.452 0.610 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000182090422 437338172 /nfs/dbraw/zinc/33/81/72/437338172.db2.gz FNQXMWJNISVHHO-DYVFJYSZSA-N 1 1 336.436 0.364 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000182090422 437338175 /nfs/dbraw/zinc/33/81/75/437338175.db2.gz FNQXMWJNISVHHO-DYVFJYSZSA-N 1 1 336.436 0.364 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N1CCO[C@]2(CCCOC2)C1 ZINC000329240432 437339048 /nfs/dbraw/zinc/33/90/48/437339048.db2.gz QXWOCHVWLFKQQM-OAHLLOKOSA-N 1 1 329.466 0.831 20 30 ECEDMO Cc1nsc(N2CCN(C[C@H](O)C[N@H+](C)C3CC3)CC2)c1C#N ZINC000289415695 437407054 /nfs/dbraw/zinc/40/70/54/437407054.db2.gz HJHAJBVJGCWLPF-CQSZACIVSA-N 1 1 335.477 0.900 20 30 ECEDMO CC(C)C(=O)N1CCC(NC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000329747914 437408610 /nfs/dbraw/zinc/40/86/10/437408610.db2.gz SQQWPJVXDHDVAB-UHFFFAOYSA-N 1 1 340.468 0.859 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000337775009 437379665 /nfs/dbraw/zinc/37/96/65/437379665.db2.gz PQIFWRIBLLIIEH-RBSFLKMASA-N 1 1 346.497 0.944 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1cc(C#N)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000268258464 437391153 /nfs/dbraw/zinc/39/11/53/437391153.db2.gz YPVUODNCBITRAU-LBPRGKRZSA-N 1 1 341.458 0.811 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184282607 437398215 /nfs/dbraw/zinc/39/82/15/437398215.db2.gz LKCPEYQDPNQSTA-CQSZACIVSA-N 1 1 326.360 0.798 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184282607 437398218 /nfs/dbraw/zinc/39/82/18/437398218.db2.gz LKCPEYQDPNQSTA-CQSZACIVSA-N 1 1 326.360 0.798 20 30 ECEDMO C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)c1ncn(C)n1 ZINC000330209337 437469600 /nfs/dbraw/zinc/46/96/00/437469600.db2.gz BQJWFRFPDVLCLV-OLZOCXBDSA-N 1 1 336.440 0.975 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC[N@H+]1C ZINC000330260898 437476165 /nfs/dbraw/zinc/47/61/65/437476165.db2.gz TUGITVAPCMRMMK-CHWSQXEVSA-N 1 1 334.424 0.465 20 30 ECEDMO C[C@@H]1OCC[C@]12CN(C(=O)NC[C@H]1C[N@@H+](C)CCN1C)CCO2 ZINC000329969613 437439220 /nfs/dbraw/zinc/43/92/20/437439220.db2.gz XLNVBQOYEUYSMP-DZKIICNBSA-N 1 1 326.441 0.026 20 30 ECEDMO Cn1cc(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c(=O)[nH]c1=O ZINC000329976927 437439246 /nfs/dbraw/zinc/43/92/46/437439246.db2.gz ZCIACNGXKINVRZ-UHFFFAOYSA-N 1 1 337.424 0.207 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)CN2CCS(=O)(=O)CC2)CCSC1 ZINC000330052006 437448435 /nfs/dbraw/zinc/44/84/35/437448435.db2.gz OJFJSADPWRDXGE-ZDUSSCGKSA-N 1 1 335.495 0.111 20 30 ECEDMO CN(CC(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000330045991 437448809 /nfs/dbraw/zinc/44/88/09/437448809.db2.gz ILJIVAQYFIKTFL-TZMCWYRMSA-N 1 1 349.522 0.499 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)N2CCc3c(ncn(C)c3=O)C2)C[N@H+]1C1CC1 ZINC000330111170 437455780 /nfs/dbraw/zinc/45/57/80/437455780.db2.gz RATNFFJXGRKVFR-VXGBXAGGSA-N 1 1 331.420 0.678 20 30 ECEDMO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)[C@@H]1OC ZINC000330152435 437461853 /nfs/dbraw/zinc/46/18/53/437461853.db2.gz LZZDDKPYNLUCKR-RBZJEDDUSA-N 1 1 341.452 0.745 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330384547 437497544 /nfs/dbraw/zinc/49/75/44/437497544.db2.gz KQRAHQJHRBUXDK-UONOGXRCSA-N 1 1 332.470 0.508 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cnn(C)c2C)CC1 ZINC000330387365 437498747 /nfs/dbraw/zinc/49/87/47/437498747.db2.gz VXFNPJXNCRIHGR-NSHDSACASA-N 1 1 336.440 0.504 20 30 ECEDMO C=CCCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339722311 437501688 /nfs/dbraw/zinc/50/16/88/437501688.db2.gz CXJXMKHAHVWUFS-OAHLLOKOSA-N 1 1 325.453 0.932 20 30 ECEDMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3ccc(C#N)o3)cn2)CC1 ZINC000339951110 437529762 /nfs/dbraw/zinc/52/97/62/437529762.db2.gz KBKASFBSXBMBOD-UHFFFAOYSA-N 1 1 342.359 0.374 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000360133719 437531254 /nfs/dbraw/zinc/53/12/54/437531254.db2.gz DACZXRNMMUSGPR-OAHLLOKOSA-N 1 1 339.484 0.345 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[N@@H+](C)C1 ZINC000330537168 437544290 /nfs/dbraw/zinc/54/42/90/437544290.db2.gz QGBIIAIWKBTNTI-ROUUACIJSA-N 1 1 342.443 0.922 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340038054 437554915 /nfs/dbraw/zinc/55/49/15/437554915.db2.gz ROKRRWAPVIEYAW-ZDUSSCGKSA-N 1 1 331.376 0.119 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000340127067 437580405 /nfs/dbraw/zinc/58/04/05/437580405.db2.gz SXRHKMOUNVZHMW-UHFFFAOYSA-N 1 1 331.416 0.779 20 30 ECEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC(=O)NC)c2)C[C@H]1C ZINC000330666181 437583872 /nfs/dbraw/zinc/58/38/72/437583872.db2.gz WFCQCSUUQBLBIM-TZMCWYRMSA-N 1 1 336.440 0.979 20 30 ECEDMO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000360352053 437585398 /nfs/dbraw/zinc/58/53/98/437585398.db2.gz ALIXWUSLHHQDAW-INIZCTEOSA-N 1 1 348.403 0.579 20 30 ECEDMO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000330936133 437654481 /nfs/dbraw/zinc/65/44/81/437654481.db2.gz QQPKIYJFLVYITA-GJZGRUSLSA-N 1 1 339.484 0.479 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330984511 437663502 /nfs/dbraw/zinc/66/35/02/437663502.db2.gz FRKJFRFQDRPDJW-MGPQQGTHSA-N 1 1 341.456 0.551 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000355141594 437675274 /nfs/dbraw/zinc/67/52/74/437675274.db2.gz VCUBRPJUUGRKPW-HNNXBMFYSA-N 1 1 334.464 0.496 20 30 ECEDMO C[C@@H](CNC(=O)NCC(=O)NCC#N)[N@@H+]1CCc2sccc2C1 ZINC000343896920 437684769 /nfs/dbraw/zinc/68/47/69/437684769.db2.gz MPJZPVQGOLRYED-NSHDSACASA-N 1 1 335.433 0.434 20 30 ECEDMO C[C@@H](CNC(=O)NCC(=O)NCC#N)[N@H+]1CCc2sccc2C1 ZINC000343896920 437684774 /nfs/dbraw/zinc/68/47/74/437684774.db2.gz MPJZPVQGOLRYED-NSHDSACASA-N 1 1 335.433 0.434 20 30 ECEDMO CN1CCN(C(=O)CC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292371490 437685053 /nfs/dbraw/zinc/68/50/53/437685053.db2.gz YPQXRKNMOBXKNS-INIZCTEOSA-N 1 1 343.431 0.570 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)CC[N@H+]1CCOC ZINC000331160407 437703038 /nfs/dbraw/zinc/70/30/38/437703038.db2.gz DYUSJYBYRIZTLQ-LSDHHAIUSA-N 1 1 340.468 0.952 20 30 ECEDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC#Cc2ccccc2)C1 ZINC000355443611 437705652 /nfs/dbraw/zinc/70/56/52/437705652.db2.gz BZMQJPAWMKPWIJ-QGZVFWFLSA-N 1 1 342.443 0.925 20 30 ECEDMO COc1cc(C#N)ccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000362131652 437719557 /nfs/dbraw/zinc/71/95/57/437719557.db2.gz XEONSBCYOIYBTI-UHFFFAOYSA-N 1 1 339.417 0.256 20 30 ECEDMO COc1cc(C#N)ccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000362131652 437719561 /nfs/dbraw/zinc/71/95/61/437719561.db2.gz XEONSBCYOIYBTI-UHFFFAOYSA-N 1 1 339.417 0.256 20 30 ECEDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCO[C@H](CO)C2)C1 ZINC000331186930 437710150 /nfs/dbraw/zinc/71/01/50/437710150.db2.gz NVQQPIDYIXANDN-OLZOCXBDSA-N 1 1 328.413 0.231 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000331225374 437722905 /nfs/dbraw/zinc/72/29/05/437722905.db2.gz CBEJUHPLAIOUEP-ZWKOTPCHSA-N 1 1 349.523 0.951 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCN(C)C[C@@H]2C(C)C)CC1 ZINC000331225374 437722913 /nfs/dbraw/zinc/72/29/13/437722913.db2.gz CBEJUHPLAIOUEP-ZWKOTPCHSA-N 1 1 349.523 0.951 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCN(C)C[C@@H]2C(C)C)CC1 ZINC000331225374 437722918 /nfs/dbraw/zinc/72/29/18/437722918.db2.gz CBEJUHPLAIOUEP-ZWKOTPCHSA-N 1 1 349.523 0.951 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000331269482 437730492 /nfs/dbraw/zinc/73/04/92/437730492.db2.gz LVPXSRMODSCEGY-GFCCVEGCSA-N 1 1 329.397 0.061 20 30 ECEDMO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344114193 437733255 /nfs/dbraw/zinc/73/32/55/437733255.db2.gz MVSBYADPWYVBIB-ZDUSSCGKSA-N 1 1 333.388 0.684 20 30 ECEDMO CCN(CC)S(=O)(=O)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000331289922 437733442 /nfs/dbraw/zinc/73/34/42/437733442.db2.gz OHGRYFZTXLXPOV-ZIAGYGMSSA-N 1 1 348.513 0.844 20 30 ECEDMO COCCOCC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000344127400 437736706 /nfs/dbraw/zinc/73/67/06/437736706.db2.gz SCDOPXCJQCDZAD-INIZCTEOSA-N 1 1 340.468 0.274 20 30 ECEDMO COCCOCC[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000344127400 437736709 /nfs/dbraw/zinc/73/67/09/437736709.db2.gz SCDOPXCJQCDZAD-INIZCTEOSA-N 1 1 340.468 0.274 20 30 ECEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(=O)NCC#N)C1 ZINC000344464295 437755247 /nfs/dbraw/zinc/75/52/47/437755247.db2.gz RHDRRQLBBXILQD-DZGCQCFKSA-N 1 1 329.404 0.761 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000341210289 437816941 /nfs/dbraw/zinc/81/69/41/437816941.db2.gz VWIYKZOWGMHNHR-CABCVRRESA-N 1 1 337.468 0.099 20 30 ECEDMO CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000370699485 437820890 /nfs/dbraw/zinc/82/08/90/437820890.db2.gz MRJONHUIGIYXEP-AWEZNQCLSA-N 1 1 342.399 0.754 20 30 ECEDMO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCCSCC#N)C[C@H]1O ZINC000347071431 437824964 /nfs/dbraw/zinc/82/49/64/437824964.db2.gz BGHZXQSVGWENFL-UONOGXRCSA-N 1 1 343.493 0.952 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC(NC(=O)c2cccn2C)CC1 ZINC000363453241 437792178 /nfs/dbraw/zinc/79/21/78/437792178.db2.gz TWYBUZJJHDGZSC-UHFFFAOYSA-N 1 1 345.447 0.981 20 30 ECEDMO Cn1ncc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1C#N ZINC000356606584 437795085 /nfs/dbraw/zinc/79/50/85/437795085.db2.gz YSXOCTSDPJEOLF-CABCVRRESA-N 1 1 339.399 0.657 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OC)o2)CC1 ZINC000341119386 437799418 /nfs/dbraw/zinc/79/94/18/437799418.db2.gz BWYJSOWWSIAAAO-UHFFFAOYSA-N 1 1 328.390 0.995 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000363650980 437803520 /nfs/dbraw/zinc/80/35/20/437803520.db2.gz JALWNTNRFJCQGM-UHFFFAOYSA-N 1 1 333.392 0.221 20 30 ECEDMO COC(=O)c1cn([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)nn1 ZINC000346533265 437813093 /nfs/dbraw/zinc/81/30/93/437813093.db2.gz NLKRKCOBYCJYBG-RYUDHWBXSA-N 1 1 346.391 0.262 20 30 ECEDMO COC(=O)c1cn([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)nn1 ZINC000346533265 437813099 /nfs/dbraw/zinc/81/30/99/437813099.db2.gz NLKRKCOBYCJYBG-RYUDHWBXSA-N 1 1 346.391 0.262 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000346560314 437814635 /nfs/dbraw/zinc/81/46/35/437814635.db2.gz ANMXNUANJRFNFJ-CRAIPNDOSA-N 1 1 334.416 0.467 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)N1CCC(C#N)(COC)CC1 ZINC000341574554 437868900 /nfs/dbraw/zinc/86/89/00/437868900.db2.gz WNRJQDOBDOFQMS-UHFFFAOYSA-N 1 1 326.441 0.916 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2(C#N)CCOCC2)CC1=O ZINC000365344626 437896494 /nfs/dbraw/zinc/89/64/94/437896494.db2.gz YILJBARGMRIYIO-GJZGRUSLSA-N 1 1 348.447 0.508 20 30 ECEDMO CC(C)[C@@H](C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000347495145 437899110 /nfs/dbraw/zinc/89/91/10/437899110.db2.gz GCAHJAMTANXCBG-HUUCEWRRSA-N 1 1 336.436 0.364 20 30 ECEDMO C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000371545660 437952094 /nfs/dbraw/zinc/95/20/94/437952094.db2.gz WOUXZEAANKXTAB-QLFBSQMISA-N 1 1 338.452 0.477 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CC[NH+](CC(=O)NCCC)CC2)nn1 ZINC000424585006 437977147 /nfs/dbraw/zinc/97/71/47/437977147.db2.gz PFLOTCXSXOSOMW-UHFFFAOYSA-N 1 1 348.451 0.575 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416654316 437982422 /nfs/dbraw/zinc/98/24/22/437982422.db2.gz CULUSGVPCMCAHK-MGPQQGTHSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416654316 437982429 /nfs/dbraw/zinc/98/24/29/437982429.db2.gz CULUSGVPCMCAHK-MGPQQGTHSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416654315 437982703 /nfs/dbraw/zinc/98/27/03/437982703.db2.gz CULUSGVPCMCAHK-MCIONIFRSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416654315 437982707 /nfs/dbraw/zinc/98/27/07/437982707.db2.gz CULUSGVPCMCAHK-MCIONIFRSA-N 1 1 332.470 0.100 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)nn1 ZINC000424660102 437983646 /nfs/dbraw/zinc/98/36/46/437983646.db2.gz UBNPVGBALBXQHO-MRXNPFEDSA-N 1 1 334.468 0.856 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)nn1 ZINC000424660474 437984725 /nfs/dbraw/zinc/98/47/25/437984725.db2.gz UMIKYQBHRHNXEM-HNNXBMFYSA-N 1 1 334.468 0.858 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)C1(C#N)CCCCC1 ZINC000366312982 438051572 /nfs/dbraw/zinc/05/15/72/438051572.db2.gz OSPVQOWTFITKJN-OLZOCXBDSA-N 1 1 332.404 0.266 20 30 ECEDMO CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372370353 438079714 /nfs/dbraw/zinc/07/97/14/438079714.db2.gz QPVXEBFTSKRWAP-HKUYNNGSSA-N 1 1 347.507 0.895 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000430561323 438113857 /nfs/dbraw/zinc/11/38/57/438113857.db2.gz ZZBUUGLQKUGSKB-PMPSAXMXSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000430561323 438113861 /nfs/dbraw/zinc/11/38/61/438113861.db2.gz ZZBUUGLQKUGSKB-PMPSAXMXSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000348947548 438117456 /nfs/dbraw/zinc/11/74/56/438117456.db2.gz JKKISPSIUVISBE-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C[C@H](C#N)C[N@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 ZINC000348960613 438119051 /nfs/dbraw/zinc/11/90/51/438119051.db2.gz YWGFCKJROXBFCG-LLVKDONJSA-N 1 1 330.392 0.058 20 30 ECEDMO C[C@H](C#N)C[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 ZINC000348960613 438119056 /nfs/dbraw/zinc/11/90/56/438119056.db2.gz YWGFCKJROXBFCG-LLVKDONJSA-N 1 1 330.392 0.058 20 30 ECEDMO C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000357996976 438122552 /nfs/dbraw/zinc/12/25/52/438122552.db2.gz SVKQPQOMELDWAY-LSDHHAIUSA-N 1 1 325.453 0.932 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)NCC)C1 ZINC000373128620 438130210 /nfs/dbraw/zinc/13/02/10/438130210.db2.gz ZVNPICLDKRUEHN-CHWSQXEVSA-N 1 1 346.435 0.868 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)NCC)C1 ZINC000373128620 438130215 /nfs/dbraw/zinc/13/02/15/438130215.db2.gz ZVNPICLDKRUEHN-CHWSQXEVSA-N 1 1 346.435 0.868 20 30 ECEDMO COC(=O)c1cn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000358040307 438130242 /nfs/dbraw/zinc/13/02/42/438130242.db2.gz YEJOXPCKHFBXIR-QWHCGFSZSA-N 1 1 348.407 0.462 20 30 ECEDMO COC(=O)c1cn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000358040307 438130245 /nfs/dbraw/zinc/13/02/45/438130245.db2.gz YEJOXPCKHFBXIR-QWHCGFSZSA-N 1 1 348.407 0.462 20 30 ECEDMO N#CCC1(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000366829610 438132138 /nfs/dbraw/zinc/13/21/38/438132138.db2.gz JGNGHJMPFCPREQ-OAHLLOKOSA-N 1 1 335.452 0.386 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)OCC ZINC000366860162 438137922 /nfs/dbraw/zinc/13/79/22/438137922.db2.gz ZMJUXMOBPFGKOP-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)OCC ZINC000366860162 438137923 /nfs/dbraw/zinc/13/79/23/438137923.db2.gz ZMJUXMOBPFGKOP-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367309136 438195520 /nfs/dbraw/zinc/19/55/20/438195520.db2.gz GFZFAUKTGMWLAQ-ZBFHGGJFSA-N 1 1 349.479 0.409 20 30 ECEDMO C=C(C)CS(=O)(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000373825614 438170295 /nfs/dbraw/zinc/17/02/95/438170295.db2.gz UZCZDLRMYRJQLR-UHFFFAOYSA-N 1 1 343.493 0.911 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000374691319 438224042 /nfs/dbraw/zinc/22/40/42/438224042.db2.gz CYQSWSJSGCEZST-UHFFFAOYSA-N 1 1 331.482 0.961 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000374455707 438209819 /nfs/dbraw/zinc/20/98/19/438209819.db2.gz CQCKYEPYCDRQOV-ZIAGYGMSSA-N 1 1 344.481 0.508 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000374455707 438209823 /nfs/dbraw/zinc/20/98/23/438209823.db2.gz CQCKYEPYCDRQOV-ZIAGYGMSSA-N 1 1 344.481 0.508 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000376823152 438293914 /nfs/dbraw/zinc/29/39/14/438293914.db2.gz NQJKUNZXGRHKTH-CYBMUJFWSA-N 1 1 329.404 0.513 20 30 ECEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000351107720 438251584 /nfs/dbraw/zinc/25/15/84/438251584.db2.gz YYHRKZAQTGBELB-UHFFFAOYSA-N 1 1 327.406 0.789 20 30 ECEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000351107720 438251586 /nfs/dbraw/zinc/25/15/86/438251586.db2.gz YYHRKZAQTGBELB-UHFFFAOYSA-N 1 1 327.406 0.789 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000377554538 438310768 /nfs/dbraw/zinc/31/07/68/438310768.db2.gz XCKYSPLRGJYKMU-MAUKXSAKSA-N 1 1 349.479 0.455 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000419073211 438311490 /nfs/dbraw/zinc/31/14/90/438311490.db2.gz CBYFDGMMABDVGQ-QGZVFWFLSA-N 1 1 349.394 0.743 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000434714167 438318177 /nfs/dbraw/zinc/31/81/77/438318177.db2.gz NVADXEUWPQWCGP-SWLSCSKDSA-N 1 1 336.436 0.098 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419148715 438348882 /nfs/dbraw/zinc/34/88/82/438348882.db2.gz KHSDXVINVOUWET-AWEZNQCLSA-N 1 1 334.445 0.590 20 30 ECEDMO C[C@@](O)(CNC(=O)C1(c2cccc(C#N)c2)CC1)C[NH+]1CCOCC1 ZINC000435581041 438371699 /nfs/dbraw/zinc/37/16/99/438371699.db2.gz UEFPTEHESNRRSB-GOSISDBHSA-N 1 1 343.427 0.789 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000378634006 438408649 /nfs/dbraw/zinc/40/86/49/438408649.db2.gz BHKRKNDYFMBKNE-KBPBESRZSA-N 1 1 329.466 0.713 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000438459031 438479619 /nfs/dbraw/zinc/47/96/19/438479619.db2.gz XMWINYVAICYRKH-HLLBOEOZSA-N 1 1 341.452 0.350 20 30 ECEDMO C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000438875979 438489516 /nfs/dbraw/zinc/48/95/16/438489516.db2.gz RWNXFETZQPWSQD-LLVKDONJSA-N 1 1 331.376 0.544 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[N@H+](C)C[C@H]3C)CC2)o1 ZINC000408111146 438513744 /nfs/dbraw/zinc/51/37/44/438513744.db2.gz AMVKESSZGVPKRY-CYBMUJFWSA-N 1 1 346.435 0.139 20 30 ECEDMO N#CC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000408123713 438518449 /nfs/dbraw/zinc/51/84/49/438518449.db2.gz JJBDJKAIAPQOOS-MRXNPFEDSA-N 1 1 348.447 0.462 20 30 ECEDMO C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050926 438548575 /nfs/dbraw/zinc/54/85/75/438548575.db2.gz UGDUNJJXFUXEPN-JKSUJKDBSA-N 1 1 334.464 0.934 20 30 ECEDMO C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050926 438548579 /nfs/dbraw/zinc/54/85/79/438548579.db2.gz UGDUNJJXFUXEPN-JKSUJKDBSA-N 1 1 334.464 0.934 20 30 ECEDMO N#CC1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000440995226 438574834 /nfs/dbraw/zinc/57/48/34/438574834.db2.gz YZWJLQTYCDHPTI-YMAMQOFZSA-N 1 1 335.452 0.955 20 30 ECEDMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[N@H+]1C ZINC000442298679 438603700 /nfs/dbraw/zinc/60/37/00/438603700.db2.gz GJUOKOSEHHBGRE-NEPJUHHUSA-N 1 1 346.435 0.999 20 30 ECEDMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[N@@H+]1C ZINC000442298679 438603703 /nfs/dbraw/zinc/60/37/03/438603703.db2.gz GJUOKOSEHHBGRE-NEPJUHHUSA-N 1 1 346.435 0.999 20 30 ECEDMO N#Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1O ZINC000442637573 438613168 /nfs/dbraw/zinc/61/31/68/438613168.db2.gz XVTSBNNJCSGTTA-CQSZACIVSA-N 1 1 330.388 0.581 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000452346533 438652745 /nfs/dbraw/zinc/65/27/45/438652745.db2.gz GUPGEXNISAGNTD-INIZCTEOSA-N 1 1 344.415 0.251 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000447397714 438677137 /nfs/dbraw/zinc/67/71/37/438677137.db2.gz OTBZXUXZVFHWAO-BZUAXINKSA-N 1 1 341.452 0.340 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000447397714 438677138 /nfs/dbraw/zinc/67/71/38/438677138.db2.gz OTBZXUXZVFHWAO-BZUAXINKSA-N 1 1 341.452 0.340 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000447387946 438677199 /nfs/dbraw/zinc/67/71/99/438677199.db2.gz VQTGHUNBSZUSPM-LSDHHAIUSA-N 1 1 327.425 0.094 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000447387946 438677203 /nfs/dbraw/zinc/67/72/03/438677203.db2.gz VQTGHUNBSZUSPM-LSDHHAIUSA-N 1 1 327.425 0.094 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412117296 438684529 /nfs/dbraw/zinc/68/45/29/438684529.db2.gz ZAJYMUTXFBDWFU-SYGRHNPNSA-N 1 1 337.464 0.981 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412117296 438684533 /nfs/dbraw/zinc/68/45/33/438684533.db2.gz ZAJYMUTXFBDWFU-SYGRHNPNSA-N 1 1 337.464 0.981 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CC12COC2 ZINC000451141356 438697107 /nfs/dbraw/zinc/69/71/07/438697107.db2.gz VOESAFRKLZBBCB-OLZOCXBDSA-N 1 1 335.404 0.449 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CC12COC2 ZINC000451141356 438697109 /nfs/dbraw/zinc/69/71/09/438697109.db2.gz VOESAFRKLZBBCB-OLZOCXBDSA-N 1 1 335.404 0.449 20 30 ECEDMO C[C@@]1(C#N)CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000595550061 438820158 /nfs/dbraw/zinc/82/01/58/438820158.db2.gz OHDQRPHFZBFZQA-WBVHZDCISA-N 1 1 335.452 0.338 20 30 ECEDMO CCOCC[N@@H+]1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@@H]1C ZINC000458084158 438854062 /nfs/dbraw/zinc/85/40/62/438854062.db2.gz MCYNIVBXYDLXIR-AWEZNQCLSA-N 1 1 331.420 0.934 20 30 ECEDMO CCOCC[N@H+]1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@@H]1C ZINC000458084158 438854065 /nfs/dbraw/zinc/85/40/65/438854065.db2.gz MCYNIVBXYDLXIR-AWEZNQCLSA-N 1 1 331.420 0.934 20 30 ECEDMO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000563852797 438867886 /nfs/dbraw/zinc/86/78/86/438867886.db2.gz ARXHLQOTFKHJOA-CVEARBPZSA-N 1 1 339.461 0.568 20 30 ECEDMO N#Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000589422276 438869645 /nfs/dbraw/zinc/86/96/45/438869645.db2.gz OTWKOHPJZZRJEX-HNNXBMFYSA-N 1 1 329.404 0.090 20 30 ECEDMO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000564154746 438873062 /nfs/dbraw/zinc/87/30/62/438873062.db2.gz BIGBZCGTUIMJQA-MRXNPFEDSA-N 1 1 345.447 0.879 20 30 ECEDMO N#Cc1cccc(C2([NH2+]CCC(=O)N3CCNCC3)CCOCC2)c1 ZINC000595908882 438883675 /nfs/dbraw/zinc/88/36/75/438883675.db2.gz JDAWLGWZJPHLTB-UHFFFAOYSA-N 1 1 342.443 0.975 20 30 ECEDMO N#Cc1c2c(sc1NC(=O)Cn1nnnc1C[NH3+])CCCCC2 ZINC000516567975 438913675 /nfs/dbraw/zinc/91/36/75/438913675.db2.gz LDHDHBYJBYFWEL-UHFFFAOYSA-N 1 1 331.405 0.973 20 30 ECEDMO N#CCCN1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000601596729 438939248 /nfs/dbraw/zinc/93/92/48/438939248.db2.gz WKLHLQJZXQHDPF-IRXDYDNUSA-N 1 1 349.479 0.871 20 30 ECEDMO N#CCC1(CS(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000590754905 438955415 /nfs/dbraw/zinc/95/54/15/438955415.db2.gz ZAAYDQYRCBZOKL-KBPBESRZSA-N 1 1 327.450 0.541 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000602027393 438999506 /nfs/dbraw/zinc/99/95/06/438999506.db2.gz RBXVJYMNWDSAAY-ZDUSSCGKSA-N 1 1 334.351 0.473 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000602027392 438999705 /nfs/dbraw/zinc/99/97/05/438999705.db2.gz RBXVJYMNWDSAAY-CYBMUJFWSA-N 1 1 334.351 0.473 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000459826237 439011138 /nfs/dbraw/zinc/01/11/38/439011138.db2.gz WNRPFCDVZFKVDW-CQSZACIVSA-N 1 1 325.453 0.715 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000459826237 439011150 /nfs/dbraw/zinc/01/11/50/439011150.db2.gz WNRPFCDVZFKVDW-CQSZACIVSA-N 1 1 325.453 0.715 20 30 ECEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602274710 439054556 /nfs/dbraw/zinc/05/45/56/439054556.db2.gz BWSUMIKPQMSOKB-HNNXBMFYSA-N 1 1 349.479 0.281 20 30 ECEDMO N#CC[C@@]1(O)CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000596880998 439011980 /nfs/dbraw/zinc/01/19/80/439011980.db2.gz ODPWZHKKLYMQKA-BFYDXBDKSA-N 1 1 348.447 0.690 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c1C#N ZINC000602146995 439023681 /nfs/dbraw/zinc/02/36/81/439023681.db2.gz DMGMNWMIGKDHHS-AWEZNQCLSA-N 1 1 330.436 0.591 20 30 ECEDMO N#Cc1cccc(CN2CCC(NC(=O)[C@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000602520029 439103841 /nfs/dbraw/zinc/10/38/41/439103841.db2.gz FWSBLQZJPGPFQP-SJORKVTESA-N 1 1 328.416 0.755 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(c3cncc(C#N)n3)CC2)CC1 ZINC000591912768 439113203 /nfs/dbraw/zinc/11/32/03/439113203.db2.gz SGRPBTGVJZBWIX-UHFFFAOYSA-N 1 1 328.420 0.729 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cnc4c(C#N)cnn4c3)[C@H]2C1 ZINC000580193366 439070652 /nfs/dbraw/zinc/07/06/52/439070652.db2.gz YNUSYMDWBWVSDG-JKSUJKDBSA-N 1 1 326.404 0.896 20 30 ECEDMO COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150777 439166472 /nfs/dbraw/zinc/16/64/72/439166472.db2.gz IWKORYAEBDKGOH-CXAGYDPISA-N 1 1 336.388 0.794 20 30 ECEDMO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149088 439168279 /nfs/dbraw/zinc/16/82/79/439168279.db2.gz IPCUSBFXVVPXRB-SCLBCKFNSA-N 1 1 345.399 0.828 20 30 ECEDMO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149088 439168286 /nfs/dbraw/zinc/16/82/86/439168286.db2.gz IPCUSBFXVVPXRB-SCLBCKFNSA-N 1 1 345.399 0.828 20 30 ECEDMO CN1CCN(C(=O)C2CC[NH+](Cc3cccc(C#N)n3)CC2)CC1 ZINC000602659490 439120264 /nfs/dbraw/zinc/12/02/64/439120264.db2.gz OOQSNVLJHQJLJF-UHFFFAOYSA-N 1 1 327.432 0.939 20 30 ECEDMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)N(C)CCC#N ZINC000487366866 439144621 /nfs/dbraw/zinc/14/46/21/439144621.db2.gz RCCYQRKBEATAQM-ZDUSSCGKSA-N 1 1 330.454 0.262 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)N(C)CCC#N ZINC000487366866 439144624 /nfs/dbraw/zinc/14/46/24/439144624.db2.gz RCCYQRKBEATAQM-ZDUSSCGKSA-N 1 1 330.454 0.262 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592147649 439164500 /nfs/dbraw/zinc/16/45/00/439164500.db2.gz QZOZYCXDTHDVLC-DYVFJYSZSA-N 1 1 337.420 0.527 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592147649 439164503 /nfs/dbraw/zinc/16/45/03/439164503.db2.gz QZOZYCXDTHDVLC-DYVFJYSZSA-N 1 1 337.420 0.527 20 30 ECEDMO CCOC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146653 439165503 /nfs/dbraw/zinc/16/55/03/439165503.db2.gz DVKXLFCZWLTPBE-QAPCUYQASA-N 1 1 348.399 0.953 20 30 ECEDMO N#CCNCc1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000603262817 439222333 /nfs/dbraw/zinc/22/23/33/439222333.db2.gz YGNNOKQPNIYHSV-KRWDZBQOSA-N 1 1 326.404 0.528 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000602989677 439178287 /nfs/dbraw/zinc/17/82/87/439178287.db2.gz YWMZSKFHPOUJLR-UHFFFAOYSA-N 1 1 346.431 0.651 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000602989677 439178293 /nfs/dbraw/zinc/17/82/93/439178293.db2.gz YWMZSKFHPOUJLR-UHFFFAOYSA-N 1 1 346.431 0.651 20 30 ECEDMO COc1cc(C#N)ccc1OCCN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989677 439178298 /nfs/dbraw/zinc/17/82/98/439178298.db2.gz YWMZSKFHPOUJLR-UHFFFAOYSA-N 1 1 346.431 0.651 20 30 ECEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3CN3CCOCC3)cnc12 ZINC000567895364 439194961 /nfs/dbraw/zinc/19/49/61/439194961.db2.gz FPAXCFSENCITAL-MRXNPFEDSA-N 1 1 326.404 0.898 20 30 ECEDMO CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000603155340 439198627 /nfs/dbraw/zinc/19/86/27/439198627.db2.gz JCIHALSLJVEOCI-DLBZAZTESA-N 1 1 328.416 0.926 20 30 ECEDMO CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000603155340 439198631 /nfs/dbraw/zinc/19/86/31/439198631.db2.gz JCIHALSLJVEOCI-DLBZAZTESA-N 1 1 328.416 0.926 20 30 ECEDMO C=CCCCS(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000489095823 439215249 /nfs/dbraw/zinc/21/52/49/439215249.db2.gz CGSYLJMTPLMZOU-UHFFFAOYSA-N 1 1 343.493 0.768 20 30 ECEDMO Cc1ncc(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)cc1C#N ZINC000489853524 439243173 /nfs/dbraw/zinc/24/31/73/439243173.db2.gz SSJYLDJFJARMFW-UHFFFAOYSA-N 1 1 339.465 0.424 20 30 ECEDMO Cc1ncc(S(=O)(=O)NCCCN(C)CC[NH+](C)C)cc1C#N ZINC000489853524 439243181 /nfs/dbraw/zinc/24/31/81/439243181.db2.gz SSJYLDJFJARMFW-UHFFFAOYSA-N 1 1 339.465 0.424 20 30 ECEDMO CC1CC(C#N)(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000603408086 439257015 /nfs/dbraw/zinc/25/70/15/439257015.db2.gz BBBQHYPQBDTIJL-PQUAAJSLSA-N 1 1 334.464 0.839 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)CC[C@H]2C)c1 ZINC000490655912 439284575 /nfs/dbraw/zinc/28/45/75/439284575.db2.gz DUBMTRSYJTVKAG-CQSZACIVSA-N 1 1 349.456 0.764 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(N(C)C(=O)OCC)CC1 ZINC000491039202 439323896 /nfs/dbraw/zinc/32/38/96/439323896.db2.gz HLTCCFJNKSNNQZ-UHFFFAOYSA-N 1 1 326.397 0.551 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000598601111 439285122 /nfs/dbraw/zinc/28/51/22/439285122.db2.gz ZIZNHCVGDFKGIU-QLFBSQMISA-N 1 1 344.477 0.955 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000598601111 439285136 /nfs/dbraw/zinc/28/51/36/439285136.db2.gz ZIZNHCVGDFKGIU-QLFBSQMISA-N 1 1 344.477 0.955 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000490778998 439297735 /nfs/dbraw/zinc/29/77/35/439297735.db2.gz QLPIEKJLIGFAOL-MRXNPFEDSA-N 1 1 329.448 0.377 20 30 ECEDMO C#CC[N@H+](CC#CC)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000490866544 439304206 /nfs/dbraw/zinc/30/42/06/439304206.db2.gz QGQZVOZXUBRKGO-UHFFFAOYSA-N 1 1 344.415 0.621 20 30 ECEDMO C#CC[N@@H+](CC#CC)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000490866544 439304210 /nfs/dbraw/zinc/30/42/10/439304210.db2.gz QGQZVOZXUBRKGO-UHFFFAOYSA-N 1 1 344.415 0.621 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000490893457 439306929 /nfs/dbraw/zinc/30/69/29/439306929.db2.gz UMEZRRVOROFGIN-AWEZNQCLSA-N 1 1 346.383 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000490875578 439307406 /nfs/dbraw/zinc/30/74/06/439307406.db2.gz QNPXIWGXGSYJQJ-GFCCVEGCSA-N 1 1 340.401 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000490875578 439307413 /nfs/dbraw/zinc/30/74/13/439307413.db2.gz QNPXIWGXGSYJQJ-GFCCVEGCSA-N 1 1 340.401 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000490891516 439307796 /nfs/dbraw/zinc/30/77/96/439307796.db2.gz FWPBXMKEMCILRW-AWEZNQCLSA-N 1 1 337.401 0.708 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000490891516 439307802 /nfs/dbraw/zinc/30/78/02/439307802.db2.gz FWPBXMKEMCILRW-AWEZNQCLSA-N 1 1 337.401 0.708 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000490914267 439309712 /nfs/dbraw/zinc/30/97/12/439309712.db2.gz GWSJUJRSLAMRQY-KGLIPLIRSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000490914267 439309716 /nfs/dbraw/zinc/30/97/16/439309716.db2.gz GWSJUJRSLAMRQY-KGLIPLIRSA-N 1 1 349.456 0.763 20 30 ECEDMO C#C[C@H]1COCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000491297105 439365386 /nfs/dbraw/zinc/36/53/86/439365386.db2.gz OQENLGVZQOBVGO-SFHVURJKSA-N 1 1 327.428 0.908 20 30 ECEDMO O=C1C[C@]2(CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)CN1 ZINC000528486755 439341807 /nfs/dbraw/zinc/34/18/07/439341807.db2.gz PPJSDRIXROMSHH-LJQANCHMSA-N 1 1 337.379 0.498 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(Oc3cnccn3)CC2)CC1 ZINC000491253389 439357068 /nfs/dbraw/zinc/35/70/68/439357068.db2.gz NJDYCBPCOXGMFJ-UHFFFAOYSA-N 1 1 343.431 0.097 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC000491475105 439390177 /nfs/dbraw/zinc/39/01/77/439390177.db2.gz STDFTQMVPZKFBX-HNNXBMFYSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC000491475105 439390184 /nfs/dbraw/zinc/39/01/84/439390184.db2.gz STDFTQMVPZKFBX-HNNXBMFYSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000491691281 439428778 /nfs/dbraw/zinc/42/87/78/439428778.db2.gz DOGNZAMSGSVYOB-AWEZNQCLSA-N 1 1 329.466 0.408 20 30 ECEDMO C#CCN1C(=O)C[C@@H](N2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000491699767 439430181 /nfs/dbraw/zinc/43/01/81/439430181.db2.gz CPAATOFYIZRFAU-MRXNPFEDSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000491729481 439437996 /nfs/dbraw/zinc/43/79/96/439437996.db2.gz CPWBNDVMRPZTPF-OAHLLOKOSA-N 1 1 341.477 0.452 20 30 ECEDMO COCCN1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC1=O ZINC000599385299 439451618 /nfs/dbraw/zinc/45/16/18/439451618.db2.gz CQLVHKGDHOOSCV-OAHLLOKOSA-N 1 1 339.436 0.238 20 30 ECEDMO COCCN1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC1=O ZINC000599385299 439451623 /nfs/dbraw/zinc/45/16/23/439451623.db2.gz CQLVHKGDHOOSCV-OAHLLOKOSA-N 1 1 339.436 0.238 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](CCOC3CCOCC3)CC2)c1C#N ZINC000599387363 439452197 /nfs/dbraw/zinc/45/21/97/439452197.db2.gz WKMJSRDBVILMAT-UHFFFAOYSA-N 1 1 333.436 0.918 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CCN3CCCS3(=O)=O)C2)nc1 ZINC000583417786 439463209 /nfs/dbraw/zinc/46/32/09/439463209.db2.gz URUPAXZCROAIGF-AWEZNQCLSA-N 1 1 336.417 0.442 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCN3CCCS3(=O)=O)C2)nc1 ZINC000583417786 439463211 /nfs/dbraw/zinc/46/32/11/439463211.db2.gz URUPAXZCROAIGF-AWEZNQCLSA-N 1 1 336.417 0.442 20 30 ECEDMO N#CCSc1ccccc1NC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026468 439509826 /nfs/dbraw/zinc/50/98/26/439509826.db2.gz DBBCWGIFXVOOJO-UONOGXRCSA-N 1 1 346.456 0.992 20 30 ECEDMO CC(=O)NCC(=O)N1CCC[N@@H+](CCc2ccc(C#N)cc2)CC1 ZINC000599617534 439519802 /nfs/dbraw/zinc/51/98/02/439519802.db2.gz CEVBAJQKIPXKCI-UHFFFAOYSA-N 1 1 328.416 0.771 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)n(CCC#N)n1 ZINC000533326481 439524540 /nfs/dbraw/zinc/52/45/40/439524540.db2.gz VBSSYSSOLPQNOC-GFCCVEGCSA-N 1 1 332.408 0.643 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533356229 439525581 /nfs/dbraw/zinc/52/55/81/439525581.db2.gz FQHRKRCOORCNSW-JKIFEVAISA-N 1 1 335.452 0.919 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533356229 439525585 /nfs/dbraw/zinc/52/55/85/439525585.db2.gz FQHRKRCOORCNSW-JKIFEVAISA-N 1 1 335.452 0.919 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484559 439569749 /nfs/dbraw/zinc/56/97/49/439569749.db2.gz UZTBTCWBSBGQKI-LSDHHAIUSA-N 1 1 344.481 0.700 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)OC)nc2C#N)CC1 ZINC000594548998 439576157 /nfs/dbraw/zinc/57/61/57/439576157.db2.gz SGPVNBWTHBPBPA-UHFFFAOYSA-N 1 1 331.376 0.316 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 ZINC000547673655 439577726 /nfs/dbraw/zinc/57/77/26/439577726.db2.gz SDRILMYUJFCNDV-UHFFFAOYSA-N 1 1 332.408 0.598 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1 ZINC000599940218 439580777 /nfs/dbraw/zinc/58/07/77/439580777.db2.gz MXEOUZNKTMVGKT-RDJZCZTQSA-N 1 1 328.416 0.905 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 ZINC000609672435 439583981 /nfs/dbraw/zinc/58/39/81/439583981.db2.gz HBZQHXYZYOSJJN-QZTJIDSGSA-N 1 1 341.459 0.796 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000610421412 439613815 /nfs/dbraw/zinc/61/38/15/439613815.db2.gz XGCACIUMSNNRPY-IAGOWNOFSA-N 1 1 346.406 0.865 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000610421412 439613819 /nfs/dbraw/zinc/61/38/19/439613819.db2.gz XGCACIUMSNNRPY-IAGOWNOFSA-N 1 1 346.406 0.865 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594799653 439615166 /nfs/dbraw/zinc/61/51/66/439615166.db2.gz OIINCMYXGZPVJP-ZDUSSCGKSA-N 1 1 332.470 0.556 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000610605432 439631494 /nfs/dbraw/zinc/63/14/94/439631494.db2.gz WMFOTWPGZLSINR-LSDHHAIUSA-N 1 1 330.388 0.202 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000610605432 439631496 /nfs/dbraw/zinc/63/14/96/439631496.db2.gz WMFOTWPGZLSINR-LSDHHAIUSA-N 1 1 330.388 0.202 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C[C@@H]21 ZINC000573296350 439638392 /nfs/dbraw/zinc/63/83/92/439638392.db2.gz RPEZTZBLJYRMBV-MFKMUULPSA-N 1 1 336.373 0.791 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000585712186 439644711 /nfs/dbraw/zinc/64/47/11/439644711.db2.gz ACZAYUOBPKSMFQ-IUODEOHRSA-N 1 1 330.388 0.010 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000585712186 439644713 /nfs/dbraw/zinc/64/47/13/439644713.db2.gz ACZAYUOBPKSMFQ-IUODEOHRSA-N 1 1 330.388 0.010 20 30 ECEDMO CCN(C(=O)C(=O)NCc1ccc(CC#N)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000595196569 439672421 /nfs/dbraw/zinc/67/24/21/439672421.db2.gz LKYQJKWJIXJSPI-INIZCTEOSA-N 1 1 328.416 0.921 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610906918 439656394 /nfs/dbraw/zinc/65/63/94/439656394.db2.gz JSGRELKAKDOVFU-SWLSCSKDSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610906918 439656395 /nfs/dbraw/zinc/65/63/95/439656395.db2.gz JSGRELKAKDOVFU-SWLSCSKDSA-N 1 1 330.388 0.641 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000610906826 439656616 /nfs/dbraw/zinc/65/66/16/439656616.db2.gz AYLANYWVOOSGSA-NHYWBVRUSA-N 1 1 346.387 0.341 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000610906826 439656620 /nfs/dbraw/zinc/65/66/20/439656620.db2.gz AYLANYWVOOSGSA-NHYWBVRUSA-N 1 1 346.387 0.341 20 30 ECEDMO CCN(C(=O)C(=O)Nc1cc(C)n(CCC#N)n1)[C@H]1CC[N@@H+](CC)C1 ZINC000595131460 439658542 /nfs/dbraw/zinc/65/85/42/439658542.db2.gz LNPGHAVDPJFSHV-AWEZNQCLSA-N 1 1 346.435 0.986 20 30 ECEDMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000586775312 439659666 /nfs/dbraw/zinc/65/96/66/439659666.db2.gz LOQXZMVGODYGKA-HNNXBMFYSA-N 1 1 349.406 0.781 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)C1 ZINC000586831550 439663070 /nfs/dbraw/zinc/66/30/70/439663070.db2.gz CFPARWBCNAXNPU-HNNXBMFYSA-N 1 1 349.479 0.327 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000600212810 439622967 /nfs/dbraw/zinc/62/29/67/439622967.db2.gz HOGBOFVSXQAHHE-CQSZACIVSA-N 1 1 347.444 0.967 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000600212810 439622971 /nfs/dbraw/zinc/62/29/71/439622971.db2.gz HOGBOFVSXQAHHE-CQSZACIVSA-N 1 1 347.444 0.967 20 30 ECEDMO N#Cc1ccncc1N1CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000600846582 439709787 /nfs/dbraw/zinc/70/97/87/439709787.db2.gz QCPPQFOEJBRETL-INIZCTEOSA-N 1 1 346.431 0.368 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595383740 439718978 /nfs/dbraw/zinc/71/89/78/439718978.db2.gz DYEIXTGSHFKJAM-GFCCVEGCSA-N 1 1 341.458 0.839 20 30 ECEDMO N#CCCN1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000611175692 439677868 /nfs/dbraw/zinc/67/78/68/439677868.db2.gz KUKCRSUPQLVSQV-AWEZNQCLSA-N 1 1 333.388 0.686 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)n(CCC#N)n1 ZINC000574124142 439686220 /nfs/dbraw/zinc/68/62/20/439686220.db2.gz DJEAKLCLVMXVPG-CYBMUJFWSA-N 1 1 334.424 0.889 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@@H+](C[C@@H]2CNc3c(C#N)cnn3C2)C1 ZINC000574205743 439691633 /nfs/dbraw/zinc/69/16/33/439691633.db2.gz KDBAGMMLWFJNNS-LRDDRELGSA-N 1 1 333.392 0.308 20 30 ECEDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600719089 439696266 /nfs/dbraw/zinc/69/62/66/439696266.db2.gz BOAFWTKFLJGJCQ-RDJZCZTQSA-N 1 1 332.448 0.523 20 30 ECEDMO C[C@H](O)C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000613394783 439756379 /nfs/dbraw/zinc/75/63/79/439756379.db2.gz CHPSTGDIGKNSBK-UAGQMJEPSA-N 1 1 334.416 0.964 20 30 ECEDMO C[C@H](O)C[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000613394783 439756380 /nfs/dbraw/zinc/75/63/80/439756380.db2.gz CHPSTGDIGKNSBK-UAGQMJEPSA-N 1 1 334.416 0.964 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000611838827 439732563 /nfs/dbraw/zinc/73/25/63/439732563.db2.gz NZFBUYQJLKXDEQ-AWEZNQCLSA-N 1 1 325.453 0.932 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC[N@@H+]1CCO ZINC000614957988 439791188 /nfs/dbraw/zinc/79/11/88/439791188.db2.gz YQZDGZURGAFPFF-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC[N@H+]1CCO ZINC000614957988 439791189 /nfs/dbraw/zinc/79/11/89/439791189.db2.gz YQZDGZURGAFPFF-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(CC[N@H+](CCCO)C3)C2)nn1 ZINC001041732189 782076136 /nfs/dbraw/zinc/07/61/36/782076136.db2.gz GELLHBKCOHFZOS-KRWDZBQOSA-N 1 1 333.436 0.775 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C3(n4cnnn4)CCOCC3)C2)C1 ZINC001041734649 782080862 /nfs/dbraw/zinc/08/08/62/782080862.db2.gz YRCWRBPNWJVXEX-MRXNPFEDSA-N 1 1 346.435 0.289 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@](F)(C#N)C2)CC1 ZINC000615531855 439801805 /nfs/dbraw/zinc/80/18/05/439801805.db2.gz QXEKARUONQWNIU-INIZCTEOSA-N 1 1 339.415 0.624 20 30 ECEDMO C=CC[C@@]1(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCC[NH2+]1 ZINC000662732607 439862723 /nfs/dbraw/zinc/86/27/23/439862723.db2.gz FOHYFIOLDXHIMD-AEFFLSMTSA-N 1 1 336.480 0.207 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000646915623 439931947 /nfs/dbraw/zinc/93/19/47/439931947.db2.gz RLNKHMVMQDIBES-GDBMZVCRSA-N 1 1 349.456 0.927 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000636516741 439908768 /nfs/dbraw/zinc/90/87/68/439908768.db2.gz MACPDDUNSFGABV-UHFFFAOYSA-N 1 1 338.496 0.847 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000653949278 440264213 /nfs/dbraw/zinc/26/42/13/440264213.db2.gz MTEMWVBIWWBFJC-JKSUJKDBSA-N 1 1 344.415 0.885 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)NCC2(S(=O)(=O)CC)CC2)CC1 ZINC000660703628 440713439 /nfs/dbraw/zinc/71/34/39/440713439.db2.gz FKKLHXRFKOGFLU-UHFFFAOYSA-N 1 1 329.466 0.903 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000645169538 440758494 /nfs/dbraw/zinc/75/84/94/440758494.db2.gz HJWAEGHYIZRZOW-HNNXBMFYSA-N 1 1 338.452 0.051 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000645424106 440803052 /nfs/dbraw/zinc/80/30/52/440803052.db2.gz PVXZETHZDFEGMA-MSOLQXFVSA-N 1 1 345.443 0.827 20 30 ECEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000662086534 440963286 /nfs/dbraw/zinc/96/32/86/440963286.db2.gz UVLMZKWRJXVMRB-SDDRHHMPSA-N 1 1 332.404 0.420 20 30 ECEDMO C=CCCn1cc(CNCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000657341555 440999150 /nfs/dbraw/zinc/99/91/50/440999150.db2.gz ZNADSBFWPDHXRF-INIZCTEOSA-N 1 1 334.468 0.887 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001077992417 782094075 /nfs/dbraw/zinc/09/40/75/782094075.db2.gz XFCJYTYWMVFFMT-HUUCEWRRSA-N 1 1 332.404 0.616 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001077992417 782094085 /nfs/dbraw/zinc/09/40/85/782094085.db2.gz XFCJYTYWMVFFMT-HUUCEWRRSA-N 1 1 332.404 0.616 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)cc1 ZINC000564452280 322375625 /nfs/dbraw/zinc/37/56/25/322375625.db2.gz DMNWWTNGVYMUNP-IAGOWNOFSA-N 1 1 333.432 0.734 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000566067416 322497315 /nfs/dbraw/zinc/49/73/15/322497315.db2.gz CCEAOSZOOFOHSH-UHFFFAOYSA-N 1 1 343.387 0.215 20 30 ECEDMO N#Cc1cccc(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)n1 ZINC000566198806 322511763 /nfs/dbraw/zinc/51/17/63/322511763.db2.gz IZVJCFPCBNWMEZ-UHFFFAOYSA-N 1 1 345.403 0.956 20 30 ECEDMO N#Cc1cccc(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000574297057 322776883 /nfs/dbraw/zinc/77/68/83/322776883.db2.gz HFKAWTNQTLOMGE-MRXNPFEDSA-N 1 1 341.415 0.664 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078006325 782120520 /nfs/dbraw/zinc/12/05/20/782120520.db2.gz ZMXKHBNNRUZAIV-RCCFBDPRSA-N 1 1 342.443 0.561 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000158886361 534625864 /nfs/dbraw/zinc/62/58/64/534625864.db2.gz UNVUJEQYWGFSFN-MRXNPFEDSA-N 1 1 337.445 0.629 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000158886361 534625872 /nfs/dbraw/zinc/62/58/72/534625872.db2.gz UNVUJEQYWGFSFN-MRXNPFEDSA-N 1 1 337.445 0.629 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000171537338 526453348 /nfs/dbraw/zinc/45/33/48/526453348.db2.gz DNEMXHSRCVCKJI-UHFFFAOYSA-N 1 1 336.417 0.785 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000187624867 527443895 /nfs/dbraw/zinc/44/38/95/527443895.db2.gz YDTYUVJMFZOHKF-AWEZNQCLSA-N 1 1 343.427 0.910 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000187624867 527443900 /nfs/dbraw/zinc/44/39/00/527443900.db2.gz YDTYUVJMFZOHKF-AWEZNQCLSA-N 1 1 343.427 0.910 20 30 ECEDMO CC[NH+]1CCN([C@@H]2CCN(C([O-])=[NH+][C@H](C)Cn3cccn3)C2)CC1 ZINC000329202293 546016781 /nfs/dbraw/zinc/01/67/81/546016781.db2.gz YAHDOQTWOLWSJO-HZPDHXFCSA-N 1 1 334.468 0.897 20 30 ECEDMO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000329352423 546021474 /nfs/dbraw/zinc/02/14/74/546021474.db2.gz FTQUCGKUISSEQG-KBPBESRZSA-N 1 1 346.497 0.250 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000329400100 546022012 /nfs/dbraw/zinc/02/20/12/546022012.db2.gz YOPRSIDUDPGUSW-MRXNPFEDSA-N 1 1 346.479 0.800 20 30 ECEDMO C=C[C@H](NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(=O)OC ZINC000619699634 546357967 /nfs/dbraw/zinc/35/79/67/546357967.db2.gz BSKIAFHUNXMQFB-INIZCTEOSA-N 1 1 331.416 0.891 20 30 ECEDMO C[C@H](O)C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H](C)CO ZINC000625358203 547077687 /nfs/dbraw/zinc/07/76/87/547077687.db2.gz IFXRGTLNGMWSJA-KBPBESRZSA-N 1 1 330.384 0.350 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668638935 547709000 /nfs/dbraw/zinc/70/90/00/547709000.db2.gz DCQQLZXKKRXOMX-RDJZCZTQSA-N 1 1 336.480 0.742 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668638935 547709005 /nfs/dbraw/zinc/70/90/05/547709005.db2.gz DCQQLZXKKRXOMX-RDJZCZTQSA-N 1 1 336.480 0.742 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000668690407 547728035 /nfs/dbraw/zinc/72/80/35/547728035.db2.gz QMPIKWKHJRCJRF-OAHLLOKOSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCOCCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000679491370 549096488 /nfs/dbraw/zinc/09/64/88/549096488.db2.gz LARKNBFGTFVAJW-CQSZACIVSA-N 1 1 326.441 0.431 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@H]2O)cn1 ZINC001078032362 782179999 /nfs/dbraw/zinc/17/99/99/782179999.db2.gz KETHHVQTABEOFE-KZNAEPCWSA-N 1 1 343.427 0.653 20 30 ECEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000751427416 579367703 /nfs/dbraw/zinc/36/77/03/579367703.db2.gz DIQNKYCDDSTFGQ-WTIFFKHKSA-N 1 1 346.431 0.988 20 30 ECEDMO C#CCOCCNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000753384769 579400108 /nfs/dbraw/zinc/40/01/08/579400108.db2.gz YQEFVFNMTACUIR-SFHVURJKSA-N 1 1 331.416 0.572 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cnc2ccccn12 ZINC000755522341 579434623 /nfs/dbraw/zinc/43/46/23/579434623.db2.gz ZWZVUYAWNULRBZ-UHFFFAOYSA-N 1 1 346.460 0.855 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cn2cccnc2n1 ZINC000757560959 579461995 /nfs/dbraw/zinc/46/19/95/579461995.db2.gz ROGKZCBPVHNDNJ-UHFFFAOYSA-N 1 1 347.448 0.250 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@](C)(CC)C2)c1=O ZINC000758399225 579472507 /nfs/dbraw/zinc/47/25/07/579472507.db2.gz WLIFMKRMQXFDRE-KRWDZBQOSA-N 1 1 334.420 0.623 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@](C)(CC)C2)c1=O ZINC000758399225 579472509 /nfs/dbraw/zinc/47/25/09/579472509.db2.gz WLIFMKRMQXFDRE-KRWDZBQOSA-N 1 1 334.420 0.623 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000758658573 579479015 /nfs/dbraw/zinc/47/90/15/579479015.db2.gz JUTMSLMWSAJOTB-UHFFFAOYSA-N 1 1 347.481 0.075 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759911649 579500541 /nfs/dbraw/zinc/50/05/41/579500541.db2.gz OZLQBSUDNIQBDN-UONOGXRCSA-N 1 1 326.400 0.657 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759911649 579500543 /nfs/dbraw/zinc/50/05/43/579500543.db2.gz OZLQBSUDNIQBDN-UONOGXRCSA-N 1 1 326.400 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cn1nnc2ccccc2c1=O ZINC000729809553 578298909 /nfs/dbraw/zinc/29/89/09/578298909.db2.gz LRUAEMNNAOYAEM-CYBMUJFWSA-N 1 1 326.356 0.432 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000730095788 578303259 /nfs/dbraw/zinc/30/32/59/578303259.db2.gz GMGWHWCIIIHVEX-HNNXBMFYSA-N 1 1 349.456 0.651 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000730095788 578303260 /nfs/dbraw/zinc/30/32/60/578303260.db2.gz GMGWHWCIIIHVEX-HNNXBMFYSA-N 1 1 349.456 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000730274170 578304389 /nfs/dbraw/zinc/30/43/89/578304389.db2.gz LTUYILNYHAIMTB-INIZCTEOSA-N 1 1 332.448 0.834 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000730274170 578304390 /nfs/dbraw/zinc/30/43/90/578304390.db2.gz LTUYILNYHAIMTB-INIZCTEOSA-N 1 1 332.448 0.834 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000732308337 578322970 /nfs/dbraw/zinc/32/29/70/578322970.db2.gz XQGJZRNPTGHSFY-UHFFFAOYSA-N 1 1 344.415 0.412 20 30 ECEDMO C[C@@H](CNC(=O)NCCNC(=O)C1N=CC=CC1=O)[N@@H+](C)C1CC1 ZINC000732465354 578325959 /nfs/dbraw/zinc/32/59/59/578325959.db2.gz MLBIWHONHTUMJG-ICFTUWFRSA-N 1 1 335.408 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000732561980 578327562 /nfs/dbraw/zinc/32/75/62/578327562.db2.gz CBZAFVYYYDYNOB-PBHICJAKSA-N 1 1 340.427 0.578 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000732561980 578327563 /nfs/dbraw/zinc/32/75/63/578327563.db2.gz CBZAFVYYYDYNOB-PBHICJAKSA-N 1 1 340.427 0.578 20 30 ECEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)n2cnc(C#N)n2)cn1 ZINC000798924440 578654374 /nfs/dbraw/zinc/65/43/74/578654374.db2.gz XTHNQRCAWOEDFL-NSHDSACASA-N 1 1 336.359 0.916 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(C#N)cn3)C2)CC1 ZINC000780465312 578694374 /nfs/dbraw/zinc/69/43/74/578694374.db2.gz IGQGARUVDVQFMI-MRXNPFEDSA-N 1 1 342.447 0.921 20 30 ECEDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCc3ccc(C#N)cn3)C2)CC1 ZINC000780465312 578694375 /nfs/dbraw/zinc/69/43/75/578694375.db2.gz IGQGARUVDVQFMI-MRXNPFEDSA-N 1 1 342.447 0.921 20 30 ECEDMO Cn1cc(C[C@H]2CC(=O)N(C[NH+]3CCC(CC#N)CC3)C2=O)cn1 ZINC000781572444 578711691 /nfs/dbraw/zinc/71/16/91/578711691.db2.gz SEGBXRUWBIDHIH-HNNXBMFYSA-N 1 1 329.404 0.921 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2C[C@H](C)CC(C)(C)C2)c1=O ZINC000784009605 578748456 /nfs/dbraw/zinc/74/84/56/578748456.db2.gz RUJWRNDKGYROQY-CQSZACIVSA-N 1 1 348.447 0.869 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2C[C@H](C)CC(C)(C)C2)c1=O ZINC000784009605 578748457 /nfs/dbraw/zinc/74/84/57/578748457.db2.gz RUJWRNDKGYROQY-CQSZACIVSA-N 1 1 348.447 0.869 20 30 ECEDMO C#CCCCNC(=O)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000786597401 578789950 /nfs/dbraw/zinc/78/99/50/578789950.db2.gz HCYJTNMXYIZQTL-INIZCTEOSA-N 1 1 337.464 0.769 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCNc1ncccc1C#N ZINC000787756811 578815624 /nfs/dbraw/zinc/81/56/24/578815624.db2.gz RRZJMKRMGPLLNL-AWEZNQCLSA-N 1 1 344.419 0.082 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)CC1 ZINC000772694232 579212477 /nfs/dbraw/zinc/21/24/77/579212477.db2.gz MIQXCTGNLWMFCL-OAHLLOKOSA-N 1 1 341.477 0.214 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000773439794 579227143 /nfs/dbraw/zinc/22/71/43/579227143.db2.gz DUTJVIVKCCBHNP-BBRMVZONSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000773439794 579227145 /nfs/dbraw/zinc/22/71/45/579227145.db2.gz DUTJVIVKCCBHNP-BBRMVZONSA-N 1 1 345.399 0.472 20 30 ECEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NNC(=S)NCC(N)=O ZINC000776186573 579277305 /nfs/dbraw/zinc/27/73/05/579277305.db2.gz OTVMBEAUMJUYRS-GFCCVEGCSA-N 1 1 333.461 0.834 20 30 ECEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC(=S)NCC(N)=O ZINC000776186573 579277307 /nfs/dbraw/zinc/27/73/07/579277307.db2.gz OTVMBEAUMJUYRS-GFCCVEGCSA-N 1 1 333.461 0.834 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000776594345 579285635 /nfs/dbraw/zinc/28/56/35/579285635.db2.gz DILGRCBCXNCRGD-UHFFFAOYSA-N 1 1 333.407 0.962 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2ccccc2CC#N)CC1 ZINC000776810918 579289698 /nfs/dbraw/zinc/28/96/98/579289698.db2.gz UJSFGIFKXZVVHD-UHFFFAOYSA-N 1 1 328.416 0.622 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000764510784 579577783 /nfs/dbraw/zinc/57/77/83/579577783.db2.gz YQXMBOUOJKRSDC-PHODEOQFSA-N 1 1 334.420 0.894 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCCCC[C@H]2C)c1=O ZINC000738225794 579612822 /nfs/dbraw/zinc/61/28/22/579612822.db2.gz UMMSQXHNEKTOFD-CQSZACIVSA-N 1 1 334.420 0.766 20 30 ECEDMO C[C@@H]1CC(=NNC(=S)NCCCN2CCOCC2)CC[N@H+]1C ZINC000741456054 579774721 /nfs/dbraw/zinc/77/47/21/579774721.db2.gz OKYOAHIMGRBJGM-CYBMUJFWSA-N 1 1 327.498 0.643 20 30 ECEDMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccsc1 ZINC000746354248 579836697 /nfs/dbraw/zinc/83/66/97/579836697.db2.gz QEKOHSJTUPNCKU-ZDUSSCGKSA-N 1 1 346.416 0.826 20 30 ECEDMO C#CCNC(=O)CO[NH+]=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000747835820 579855025 /nfs/dbraw/zinc/85/50/25/579855025.db2.gz MPZSLSWMRFAXGW-LLVKDONJSA-N 1 1 326.397 0.737 20 30 ECEDMO C#CCNC(=O)CO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000747835821 579855028 /nfs/dbraw/zinc/85/50/28/579855028.db2.gz MPZSLSWMRFAXGW-NSHDSACASA-N 1 1 326.397 0.737 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000836489452 588931618 /nfs/dbraw/zinc/93/16/18/588931618.db2.gz ZYRJZNFCMGACMB-DZGCQCFKSA-N 1 1 346.435 0.168 20 30 ECEDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000841457795 588988921 /nfs/dbraw/zinc/98/89/21/588988921.db2.gz WGOOGGNNXGIXOB-ZIAGYGMSSA-N 1 1 330.384 0.680 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000841457795 588988922 /nfs/dbraw/zinc/98/89/22/588988922.db2.gz WGOOGGNNXGIXOB-ZIAGYGMSSA-N 1 1 330.384 0.680 20 30 ECEDMO CN1CC[NH+](C(C)(C)CNC(=O)NCc2nc(C#N)cs2)CC1 ZINC000891747632 586193383 /nfs/dbraw/zinc/19/33/83/586193383.db2.gz JNAVQJRTZLJBFA-UHFFFAOYSA-N 1 1 336.465 0.840 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000895915644 586212090 /nfs/dbraw/zinc/21/20/90/586212090.db2.gz FVBAEOOLSNSDOI-UHFFFAOYSA-N 1 1 344.440 0.820 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000895918974 586212944 /nfs/dbraw/zinc/21/29/44/586212944.db2.gz QEBVDMJQJCJPDO-UHFFFAOYSA-N 1 1 333.417 0.148 20 30 ECEDMO CC1CC(C#N)(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000896235641 586230359 /nfs/dbraw/zinc/23/03/59/586230359.db2.gz KNMYGJCWBBUPNG-UHFFFAOYSA-N 1 1 333.436 0.438 20 30 ECEDMO Cc1c(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cnn1CCC#N ZINC000896390203 586238735 /nfs/dbraw/zinc/23/87/35/586238735.db2.gz NXTDLJSYWJCWRW-MRXNPFEDSA-N 1 1 344.463 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC000896488570 586243667 /nfs/dbraw/zinc/24/36/67/586243667.db2.gz IFCFVAHYFVTKRA-KGLIPLIRSA-N 1 1 344.419 0.158 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC000896488570 586243670 /nfs/dbraw/zinc/24/36/70/586243670.db2.gz IFCFVAHYFVTKRA-KGLIPLIRSA-N 1 1 344.419 0.158 20 30 ECEDMO C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896560012 586253350 /nfs/dbraw/zinc/25/33/50/586253350.db2.gz KJDPFOSQGKTBDH-RHSMWYFYSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@H]1CN(C)CCN1C ZINC000896560012 586253351 /nfs/dbraw/zinc/25/33/51/586253351.db2.gz KJDPFOSQGKTBDH-RHSMWYFYSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896560012 586253354 /nfs/dbraw/zinc/25/33/54/586253354.db2.gz KJDPFOSQGKTBDH-RHSMWYFYSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896560012 586253356 /nfs/dbraw/zinc/25/33/56/586253356.db2.gz KJDPFOSQGKTBDH-RHSMWYFYSA-N 1 1 330.432 0.882 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867311792 589041854 /nfs/dbraw/zinc/04/18/54/589041854.db2.gz RHWLCYKEMURGKR-UHFFFAOYSA-N 1 1 338.355 0.672 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000900717948 586658730 /nfs/dbraw/zinc/65/87/30/586658730.db2.gz HRZMUIXIKXDEQW-SCTDSRPQSA-N 1 1 342.443 0.678 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O ZINC000904186239 586832257 /nfs/dbraw/zinc/83/22/57/586832257.db2.gz RWPFIQYTMWZPND-CQSZACIVSA-N 1 1 331.372 0.985 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000757153276 586877344 /nfs/dbraw/zinc/87/73/44/586877344.db2.gz XSCQWTYCNXGXMK-AWEZNQCLSA-N 1 1 344.419 0.108 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000839837786 586957844 /nfs/dbraw/zinc/95/78/44/586957844.db2.gz WTBMSZFYRAFLPT-LPHOPBHVSA-N 1 1 325.412 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000839837786 586957846 /nfs/dbraw/zinc/95/78/46/586957846.db2.gz WTBMSZFYRAFLPT-LPHOPBHVSA-N 1 1 325.412 0.740 20 30 ECEDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCO[C@@H](C)C#N)C1 ZINC000801916798 587005933 /nfs/dbraw/zinc/00/59/33/587005933.db2.gz FMYIJOSROPQONH-KBPBESRZSA-N 1 1 325.409 0.649 20 30 ECEDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CCO[C@@H](C)C#N)C1 ZINC000801916798 587005936 /nfs/dbraw/zinc/00/59/36/587005936.db2.gz FMYIJOSROPQONH-KBPBESRZSA-N 1 1 325.409 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000804187518 587080784 /nfs/dbraw/zinc/08/07/84/587080784.db2.gz ZZFYLZYYKHNTME-GJZGRUSLSA-N 1 1 341.477 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000804187518 587080786 /nfs/dbraw/zinc/08/07/86/587080786.db2.gz ZZFYLZYYKHNTME-GJZGRUSLSA-N 1 1 341.477 0.214 20 30 ECEDMO C[C@@H]1CN(Cn2cc3c(c(C#N)c2=O)CCCC3)C[C@H](C)[N@@H+]1CCO ZINC000840134806 587153413 /nfs/dbraw/zinc/15/34/13/587153413.db2.gz PGTLYBDFIKWSRA-GASCZTMLSA-N 1 1 344.459 0.943 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1)[C@@H]1CCCO1 ZINC000809309587 587174285 /nfs/dbraw/zinc/17/42/85/587174285.db2.gz NRWZESHPCBXRCQ-PMPSAXMXSA-N 1 1 335.448 0.474 20 30 ECEDMO C#C[C@@H](NC(=O)N1CC[NH+](C(COC)COC)CC1)[C@@H]1CCCO1 ZINC000840349484 587386199 /nfs/dbraw/zinc/38/61/99/587386199.db2.gz BUUDVXFDYAGXKC-CVEARBPZSA-N 1 1 339.436 0.156 20 30 ECEDMO CN1CCN(Cc2cccc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)c2)CC1 ZINC000844194938 589102319 /nfs/dbraw/zinc/10/23/19/589102319.db2.gz OFSNRURGRGPHAL-IRXDYDNUSA-N 1 1 327.432 0.275 20 30 ECEDMO C#C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)C1CCOCC1 ZINC000823159313 587706544 /nfs/dbraw/zinc/70/65/44/587706544.db2.gz QMRWNMNSYNBWBR-HUUCEWRRSA-N 1 1 337.420 0.161 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNc1ccc(S(C)(=O)=O)cc1 ZINC000823188759 587708703 /nfs/dbraw/zinc/70/87/03/587708703.db2.gz XBMZOCDRXNIWQT-UHFFFAOYSA-N 1 1 337.445 0.573 20 30 ECEDMO N#Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000827955425 588148832 /nfs/dbraw/zinc/14/88/32/588148832.db2.gz HPWLAPZWXGRXPY-OAHLLOKOSA-N 1 1 346.406 0.834 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC000829582867 588331066 /nfs/dbraw/zinc/33/10/66/588331066.db2.gz SAEJINIBSWFSSC-ZACQAIPSSA-N 1 1 335.448 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC000829582867 588331068 /nfs/dbraw/zinc/33/10/68/588331068.db2.gz SAEJINIBSWFSSC-ZACQAIPSSA-N 1 1 335.448 0.080 20 30 ECEDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000830461612 588373127 /nfs/dbraw/zinc/37/31/27/588373127.db2.gz GDQTZCKEODSHSO-CQSZACIVSA-N 1 1 344.419 0.082 20 30 ECEDMO C[C@H](NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000845064226 589130323 /nfs/dbraw/zinc/13/03/23/589130323.db2.gz FXDODPOSORIITM-JQFCIGGWSA-N 1 1 346.431 0.952 20 30 ECEDMO C[C@H](NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000845064226 589130324 /nfs/dbraw/zinc/13/03/24/589130324.db2.gz FXDODPOSORIITM-JQFCIGGWSA-N 1 1 346.431 0.952 20 30 ECEDMO C[C@H](NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000845064224 589130390 /nfs/dbraw/zinc/13/03/90/589130390.db2.gz FXDODPOSORIITM-IAOVAPTHSA-N 1 1 346.431 0.952 20 30 ECEDMO C[C@H](NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000845064224 589130391 /nfs/dbraw/zinc/13/03/91/589130391.db2.gz FXDODPOSORIITM-IAOVAPTHSA-N 1 1 346.431 0.952 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000845842317 589172732 /nfs/dbraw/zinc/17/27/32/589172732.db2.gz TYODWLMOWFJKSP-WDEREUQCSA-N 1 1 327.431 0.761 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000845842317 589172733 /nfs/dbraw/zinc/17/27/33/589172733.db2.gz TYODWLMOWFJKSP-WDEREUQCSA-N 1 1 327.431 0.761 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC ZINC000845940332 589177202 /nfs/dbraw/zinc/17/72/02/589177202.db2.gz WTRIPSUPEXJOCN-UHFFFAOYSA-N 1 1 349.412 0.578 20 30 ECEDMO C[C@@H](C[NH3+])NC(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000846342229 589197339 /nfs/dbraw/zinc/19/73/39/589197339.db2.gz HQIJXTLMPMHKIT-ZDUSSCGKSA-N 1 1 343.431 0.102 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847349067 589243437 /nfs/dbraw/zinc/24/34/37/589243437.db2.gz QDATXMARDNXAQU-ZIAGYGMSSA-N 1 1 329.466 0.903 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847349067 589243438 /nfs/dbraw/zinc/24/34/38/589243438.db2.gz QDATXMARDNXAQU-ZIAGYGMSSA-N 1 1 329.466 0.903 20 30 ECEDMO C#C[C@@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C1CCOCC1 ZINC000851956993 589434108 /nfs/dbraw/zinc/43/41/08/589434108.db2.gz IZWGVBURWPWBCE-QGZVFWFLSA-N 1 1 336.480 0.742 20 30 ECEDMO C#C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000852128672 589445263 /nfs/dbraw/zinc/44/52/63/589445263.db2.gz WBDKKIKUWYTAGQ-SJLPKXTDSA-N 1 1 348.491 0.883 20 30 ECEDMO C#C[C@@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000852128672 589445265 /nfs/dbraw/zinc/44/52/65/589445265.db2.gz WBDKKIKUWYTAGQ-SJLPKXTDSA-N 1 1 348.491 0.883 20 30 ECEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852211334 589450812 /nfs/dbraw/zinc/45/08/12/589450812.db2.gz RRNTULJQOOEZLX-HKUYNNGSSA-N 1 1 339.395 0.897 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000852714431 589507197 /nfs/dbraw/zinc/50/71/97/589507197.db2.gz PERTZLGXZGYOOO-SECBINFHSA-N 1 1 334.344 0.758 20 30 ECEDMO CN(C)Cc1ccc(C(N)=O)cc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852871586 589520300 /nfs/dbraw/zinc/52/03/00/589520300.db2.gz TXCVFQSADZYVPL-UHFFFAOYSA-N 1 1 328.416 0.789 20 30 ECEDMO COc1cncc(C=NNC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000853268039 589539339 /nfs/dbraw/zinc/53/93/39/589539339.db2.gz MFPIRVTWBCWWIJ-UHFFFAOYSA-N 1 1 337.449 0.611 20 30 ECEDMO CS(=O)(=O)N1CC[C@@H](CO[NH+]=C(N)c2ccc3c(c2)CCO3)C1 ZINC000853680032 589554659 /nfs/dbraw/zinc/55/46/59/589554659.db2.gz UMHHXNCYTKHVIX-LLVKDONJSA-N 1 1 339.417 0.540 20 30 ECEDMO CCC[N@H+]1CC[C@@H](NC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000853713806 589556206 /nfs/dbraw/zinc/55/62/06/589556206.db2.gz WLEUJHIWOQMURK-XROPSADXSA-N 1 1 335.408 0.296 20 30 ECEDMO C=CCn1c(Cc2noc(C[NH2+]C(C)C)n2)nnc1N1CCOCC1 ZINC000854145973 589572910 /nfs/dbraw/zinc/57/29/10/589572910.db2.gz VXFKTWXRBKUTKN-UHFFFAOYSA-N 1 1 347.423 0.773 20 30 ECEDMO C=C(CO)C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000854470650 589588589 /nfs/dbraw/zinc/58/85/89/589588589.db2.gz PTFXODKFGKFVOT-UHFFFAOYSA-N 1 1 345.399 0.221 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000854664023 589598730 /nfs/dbraw/zinc/59/87/30/589598730.db2.gz KRXZAQIIEBGQJT-UHFFFAOYSA-N 1 1 343.836 0.823 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000854664023 589598731 /nfs/dbraw/zinc/59/87/31/589598731.db2.gz KRXZAQIIEBGQJT-UHFFFAOYSA-N 1 1 343.836 0.823 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856254694 589658254 /nfs/dbraw/zinc/65/82/54/589658254.db2.gz YCXOCDUTHHVBNL-MRXNPFEDSA-N 1 1 342.395 0.824 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000858492862 589752765 /nfs/dbraw/zinc/75/27/65/589752765.db2.gz FBICADIIVAYERS-UHFFFAOYSA-N 1 1 330.388 0.886 20 30 ECEDMO CN1CC[NH+](C2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)CC1 ZINC000867816913 589848421 /nfs/dbraw/zinc/84/84/21/589848421.db2.gz OPDSKUGXZYOICR-UHFFFAOYSA-N 1 1 348.472 0.959 20 30 ECEDMO CC(C)N1CC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1=O ZINC000867927834 589863773 /nfs/dbraw/zinc/86/37/73/589863773.db2.gz PMMZJGWEGBSEST-JKSUJKDBSA-N 1 1 326.400 0.871 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC000868582265 589914887 /nfs/dbraw/zinc/91/48/87/589914887.db2.gz XWFCKUKADGUWMK-UHFFFAOYSA-N 1 1 335.408 0.305 20 30 ECEDMO CC1(O)CCC(=NNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000863068281 589989647 /nfs/dbraw/zinc/98/96/47/589989647.db2.gz AAPGFIDMNFDNTK-UHFFFAOYSA-N 1 1 328.482 0.854 20 30 ECEDMO Cn1nc(Br)nc1C=NNCCC[NH+]1CCOCC1 ZINC000863110977 589989918 /nfs/dbraw/zinc/98/99/18/589989918.db2.gz JIUUSSDXQFWIMH-UHFFFAOYSA-N 1 1 331.218 0.223 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC000870194230 590005836 /nfs/dbraw/zinc/00/58/36/590005836.db2.gz FZJPOGVLCRRYTF-CYBMUJFWSA-N 1 1 348.403 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC000870194230 590005839 /nfs/dbraw/zinc/00/58/39/590005839.db2.gz FZJPOGVLCRRYTF-CYBMUJFWSA-N 1 1 348.403 0.874 20 30 ECEDMO N#CCc1ccsc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000870941266 590040986 /nfs/dbraw/zinc/04/09/86/590040986.db2.gz SVDSGHVORJOQAA-CYBMUJFWSA-N 1 1 332.429 0.851 20 30 ECEDMO CCCn1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)nn1 ZINC000872330008 590114545 /nfs/dbraw/zinc/11/45/45/590114545.db2.gz CZLWOPYPTSTBFK-UHFFFAOYSA-N 1 1 339.469 0.208 20 30 ECEDMO N#CCc1ccsc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000865904483 590161882 /nfs/dbraw/zinc/16/18/82/590161882.db2.gz NHLCWQVMLUTJHQ-HNNXBMFYSA-N 1 1 348.472 0.950 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000873024639 590179742 /nfs/dbraw/zinc/17/97/42/590179742.db2.gz XIMQINYUUMRWCY-UHFFFAOYSA-N 1 1 340.431 0.740 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[NH+](C)CC2)s1 ZINC000873721421 590198451 /nfs/dbraw/zinc/19/84/51/590198451.db2.gz SZDJRISILUCGEX-UHFFFAOYSA-N 1 1 343.474 0.529 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000874991222 590261195 /nfs/dbraw/zinc/26/11/95/590261195.db2.gz XUGIQCREDQQHHQ-GJZGRUSLSA-N 1 1 347.415 0.687 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000875307015 590291697 /nfs/dbraw/zinc/29/16/97/590291697.db2.gz HONYMDOVIRGPPC-BZUAXINKSA-N 1 1 349.475 0.910 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCO1 ZINC000875325926 590293059 /nfs/dbraw/zinc/29/30/59/590293059.db2.gz UHYYYWQNQPRGAQ-IKGGRYGDSA-N 1 1 347.459 0.807 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875385624 590298298 /nfs/dbraw/zinc/29/82/98/590298298.db2.gz DAUKZZOGQNPJEH-FPCVCCKLSA-N 1 1 335.448 0.636 20 30 ECEDMO C[N@H+](CCc1cccc(C#N)c1)CC(=O)NCC(=O)N1CCCC1 ZINC000879435232 590311588 /nfs/dbraw/zinc/31/15/88/590311588.db2.gz WZMPPIGJMBVGPJ-UHFFFAOYSA-N 1 1 328.416 0.771 20 30 ECEDMO C[N@@H+](CCc1cccc(C#N)c1)CC(=O)NCC(=O)N1CCCC1 ZINC000879435232 590311592 /nfs/dbraw/zinc/31/15/92/590311592.db2.gz WZMPPIGJMBVGPJ-UHFFFAOYSA-N 1 1 328.416 0.771 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000875598770 590312589 /nfs/dbraw/zinc/31/25/89/590312589.db2.gz KUMPXPQPDDKPPC-HZPDHXFCSA-N 1 1 337.464 0.625 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000875623164 590316318 /nfs/dbraw/zinc/31/63/18/590316318.db2.gz NTUDSGVJKCAGQZ-HNNXBMFYSA-N 1 1 334.464 0.888 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@](C)(C(=O)OCC)C1 ZINC000875623262 590316531 /nfs/dbraw/zinc/31/65/31/590316531.db2.gz QAQBCMWXKXCFCK-INIZCTEOSA-N 1 1 325.409 0.305 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000875623821 590316880 /nfs/dbraw/zinc/31/68/80/590316880.db2.gz XDGWRWUFSHCIPE-INIZCTEOSA-N 1 1 336.392 0.045 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]3OCCNC(=O)[C@@H]32)c1 ZINC000879719285 590338105 /nfs/dbraw/zinc/33/81/05/590338105.db2.gz MUTYQTLMTRNEFM-DOTOQJQBSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]3OCCNC(=O)[C@@H]32)c1 ZINC000879719285 590338107 /nfs/dbraw/zinc/33/81/07/590338107.db2.gz MUTYQTLMTRNEFM-DOTOQJQBSA-N 1 1 342.399 0.866 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCc2c(C(=O)OC)ccc(OC)c2C1 ZINC000880037249 590363330 /nfs/dbraw/zinc/36/33/30/590363330.db2.gz TUIKRRLAKFLUBM-UHFFFAOYSA-N 1 1 330.384 0.979 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCCS(=O)(=O)CC1 ZINC000876658315 590395870 /nfs/dbraw/zinc/39/58/70/590395870.db2.gz SGXKCTYNLXJKOJ-OAHLLOKOSA-N 1 1 333.413 0.392 20 30 ECEDMO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876673543 590396963 /nfs/dbraw/zinc/39/69/63/590396963.db2.gz OERZWMNVPWGQEN-BFQNTYOBSA-N 1 1 347.440 0.779 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(CC(=O)NCC#N)C2)O1 ZINC000880500905 590398981 /nfs/dbraw/zinc/39/89/81/590398981.db2.gz VPNAIRZJLWKZJZ-LPHOPBHVSA-N 1 1 342.443 0.992 20 30 ECEDMO C[C@@H]1C[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C[C@H](C)N1CC#N ZINC000878771960 590541483 /nfs/dbraw/zinc/54/14/83/590541483.db2.gz AWKKCEXTAOPDSD-OKILXGFUSA-N 1 1 336.461 0.795 20 30 ECEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879156396 590567532 /nfs/dbraw/zinc/56/75/32/590567532.db2.gz RWPNTIIPWCNKDH-KKXDTOCCSA-N 1 1 341.367 0.757 20 30 ECEDMO C#CC1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000883912417 590682764 /nfs/dbraw/zinc/68/27/64/590682764.db2.gz QPZCUTJCXPQIKN-SFHVURJKSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884045925 590716968 /nfs/dbraw/zinc/71/69/68/590716968.db2.gz LWPBQYHREOWKDQ-BBWFWOEESA-N 1 1 336.480 0.883 20 30 ECEDMO C[C@@H]1CN(CCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H](C)O1 ZINC000884183692 590765765 /nfs/dbraw/zinc/76/57/65/590765765.db2.gz UDUWZRFGZRKJLK-MYCCOQIQSA-N 1 1 334.464 0.741 20 30 ECEDMO CCN(CC)C(=O)CN1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885940189 590782886 /nfs/dbraw/zinc/78/28/86/590782886.db2.gz CSGBTINCSKMWCO-INIZCTEOSA-N 1 1 336.480 0.917 20 30 ECEDMO CC[C@H](C)NC(=O)CN1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885938223 590782999 /nfs/dbraw/zinc/78/29/99/590782999.db2.gz VOLPBBVXWOQUBB-HOTGVXAUSA-N 1 1 336.480 0.964 20 30 ECEDMO CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885938224 590783148 /nfs/dbraw/zinc/78/31/48/590783148.db2.gz VOLPBBVXWOQUBB-HZPDHXFCSA-N 1 1 336.480 0.964 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2COC3(CCOCC3)O2)C1 ZINC000884258757 590790511 /nfs/dbraw/zinc/79/05/11/590790511.db2.gz CWHZFPBFHKETKX-GJZGRUSLSA-N 1 1 337.420 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2COC3(CCOCC3)O2)C1 ZINC000884258757 590790512 /nfs/dbraw/zinc/79/05/12/590790512.db2.gz CWHZFPBFHKETKX-GJZGRUSLSA-N 1 1 337.420 0.305 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389571 590818366 /nfs/dbraw/zinc/81/83/66/590818366.db2.gz BKLKUFTVPCJQGF-FQUUOJAGSA-N 1 1 327.425 0.047 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389571 590818369 /nfs/dbraw/zinc/81/83/69/590818369.db2.gz BKLKUFTVPCJQGF-FQUUOJAGSA-N 1 1 327.425 0.047 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ncc3c(n2)CCOC3)C1 ZINC000884444778 590830395 /nfs/dbraw/zinc/83/03/95/590830395.db2.gz VQAWECVGSKZFPK-AWEZNQCLSA-N 1 1 329.404 0.446 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ncc3c(n2)CCOC3)C1 ZINC000884444778 590830399 /nfs/dbraw/zinc/83/03/99/590830399.db2.gz VQAWECVGSKZFPK-AWEZNQCLSA-N 1 1 329.404 0.446 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000886353111 590834421 /nfs/dbraw/zinc/83/44/21/590834421.db2.gz BUUOESXUKKAHCF-INIZCTEOSA-N 1 1 348.491 0.391 20 30 ECEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)C1 ZINC000889970571 591114701 /nfs/dbraw/zinc/11/47/01/591114701.db2.gz OCTUUKNRLZFCBW-ZDUSSCGKSA-N 1 1 329.404 0.886 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1cnc(Br)cn1 ZINC000922630054 611356502 /nfs/dbraw/zinc/35/65/02/611356502.db2.gz NRCWTRUGYNYILK-UHFFFAOYSA-N 1 1 340.225 0.993 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946605277 611362314 /nfs/dbraw/zinc/36/23/14/611362314.db2.gz LYINDFQRRQJLLV-OKILXGFUSA-N 1 1 326.462 0.778 20 30 ECEDMO C[NH+]=C(NCCN(C)C(C)C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000073777333 611367326 /nfs/dbraw/zinc/36/73/26/611367326.db2.gz GFYWAUFFHKHUEM-HNNXBMFYSA-N 1 1 339.484 0.225 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)CC[C@@H]2C1 ZINC000946626364 611371510 /nfs/dbraw/zinc/37/15/10/611371510.db2.gz YEBLWTIXMLYFKI-IYBDPMFKSA-N 1 1 333.432 0.039 20 30 ECEDMO CS(=O)(=O)N1CC(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000929986196 611375856 /nfs/dbraw/zinc/37/58/56/611375856.db2.gz IHIXDSKKAMAXOH-KRWDZBQOSA-N 1 1 348.472 0.760 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C[C@@H]1C ZINC000948015910 611385879 /nfs/dbraw/zinc/38/58/79/611385879.db2.gz JETVHNCMUDHXMV-WDEREUQCSA-N 1 1 337.811 0.911 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C[C@@H]1C ZINC000948015910 611385884 /nfs/dbraw/zinc/38/58/84/611385884.db2.gz JETVHNCMUDHXMV-WDEREUQCSA-N 1 1 337.811 0.911 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)C[C@H]1C ZINC000948015908 611386217 /nfs/dbraw/zinc/38/62/17/611386217.db2.gz JETVHNCMUDHXMV-MNOVXSKESA-N 1 1 337.811 0.911 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)C[C@H]1C ZINC000948015908 611386219 /nfs/dbraw/zinc/38/62/19/611386219.db2.gz JETVHNCMUDHXMV-MNOVXSKESA-N 1 1 337.811 0.911 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946668327 611404130 /nfs/dbraw/zinc/40/41/30/611404130.db2.gz WFMGVQGMTILWPH-ZNMIVQPWSA-N 1 1 326.462 0.778 20 30 ECEDMO N#CCC(=O)N1CC[NH+](C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000930630979 611448827 /nfs/dbraw/zinc/44/88/27/611448827.db2.gz QEBRDQRYHCQFML-IRXDYDNUSA-N 1 1 331.416 0.919 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000925173801 611459034 /nfs/dbraw/zinc/45/90/34/611459034.db2.gz ZIHNKJCZFGBZQM-HOTGVXAUSA-N 1 1 336.505 0.963 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]3CC2)c1 ZINC000946770397 611465114 /nfs/dbraw/zinc/46/51/14/611465114.db2.gz NNUHDZWCFIZOJZ-CWRNSKLLSA-N 1 1 340.427 0.721 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947368962 611501602 /nfs/dbraw/zinc/50/16/02/611501602.db2.gz DOGCGRZBEJEONV-STQMWFEESA-N 1 1 349.884 0.744 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947368962 611501605 /nfs/dbraw/zinc/50/16/05/611501605.db2.gz DOGCGRZBEJEONV-STQMWFEESA-N 1 1 349.884 0.744 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000931095271 611506578 /nfs/dbraw/zinc/50/65/78/611506578.db2.gz YQRQOPMQYGRPAT-CQSZACIVSA-N 1 1 332.404 0.463 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000947453541 611543805 /nfs/dbraw/zinc/54/38/05/611543805.db2.gz JBUXLUXGCDQZQV-UHFFFAOYSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@@H]1C ZINC000947523333 611578985 /nfs/dbraw/zinc/57/89/85/611578985.db2.gz AQFHIMPXHPKDBQ-GJZGRUSLSA-N 1 1 346.431 0.496 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000948414652 611582110 /nfs/dbraw/zinc/58/21/10/611582110.db2.gz ZBXVASXILKHFEY-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948416566 611583083 /nfs/dbraw/zinc/58/30/83/611583083.db2.gz IWRAFHDCGUUFSG-CVEARBPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)C[C@H]1C ZINC000947561308 611596266 /nfs/dbraw/zinc/59/62/66/611596266.db2.gz YXJJKSPURXZCBL-OCCSQVGLSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)CC1 ZINC000932136147 611604417 /nfs/dbraw/zinc/60/44/17/611604417.db2.gz OPJPZTXRDJYAJC-MRXNPFEDSA-N 1 1 329.448 0.377 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)CC1 ZINC000932136147 611604420 /nfs/dbraw/zinc/60/44/20/611604420.db2.gz OPJPZTXRDJYAJC-MRXNPFEDSA-N 1 1 329.448 0.377 20 30 ECEDMO N#C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CCN1C1CC1 ZINC000927629444 611621216 /nfs/dbraw/zinc/62/12/16/611621216.db2.gz JOOBOOKQTPKTEE-IRXDYDNUSA-N 1 1 347.463 0.621 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000947625540 611623988 /nfs/dbraw/zinc/62/39/88/611623988.db2.gz CDICPHUZKQAUHO-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000947628754 611625770 /nfs/dbraw/zinc/62/57/70/611625770.db2.gz WMBBZDQGAPDNBI-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C ZINC000947369017 608599012 /nfs/dbraw/zinc/59/90/12/608599012.db2.gz FFWYKSBAWZZVJG-UONOGXRCSA-N 1 1 334.420 0.092 20 30 ECEDMO C=C(C)Cn1c(-c2ncon2)nnc1N1CC[NH+](CCOC)CC1 ZINC000909332992 608614631 /nfs/dbraw/zinc/61/46/31/608614631.db2.gz ZVUHVWQEZGZTME-UHFFFAOYSA-N 1 1 333.396 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC000936505818 608692759 /nfs/dbraw/zinc/69/27/59/608692759.db2.gz NRUKMWPRONWIMX-GJZGRUSLSA-N 1 1 347.415 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC000936505818 608692763 /nfs/dbraw/zinc/69/27/63/608692763.db2.gz NRUKMWPRONWIMX-GJZGRUSLSA-N 1 1 347.415 0.032 20 30 ECEDMO N#Cc1cccc(OCCC[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1 ZINC000933101882 608713806 /nfs/dbraw/zinc/71/38/06/608713806.db2.gz VNRWSMQORDNJEJ-AWEZNQCLSA-N 1 1 336.417 0.161 20 30 ECEDMO N#Cc1cccc(OCCC[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1 ZINC000933101882 608713810 /nfs/dbraw/zinc/71/38/10/608713810.db2.gz VNRWSMQORDNJEJ-AWEZNQCLSA-N 1 1 336.417 0.161 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000924035180 608725481 /nfs/dbraw/zinc/72/54/81/608725481.db2.gz IDMUANWYWZQLIU-ARFHVFGLSA-N 1 1 336.505 0.963 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937411706 608736414 /nfs/dbraw/zinc/73/64/14/608736414.db2.gz QEYSFICFYVQVHX-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C2)nn1 ZINC000947792320 608741747 /nfs/dbraw/zinc/74/17/47/608741747.db2.gz KWMAPNKPJQNYAP-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cn2ccnc2)CC1 ZINC000947279040 608754311 /nfs/dbraw/zinc/75/43/11/608754311.db2.gz NODODSHMXXLDKA-INIZCTEOSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cn2ccnc2)CC1 ZINC000947279040 608754312 /nfs/dbraw/zinc/75/43/12/608754312.db2.gz NODODSHMXXLDKA-INIZCTEOSA-N 1 1 343.431 0.088 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C ZINC000947795481 608771854 /nfs/dbraw/zinc/77/18/54/608771854.db2.gz DWIOZJBKCSEKIF-CABCVRRESA-N 1 1 348.451 0.724 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H]2CO)CC1 ZINC000934017961 608788311 /nfs/dbraw/zinc/78/83/11/608788311.db2.gz UZTPFOAFZGVPNI-KGLIPLIRSA-N 1 1 334.445 0.524 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]2CO)CC1 ZINC000934017961 608788313 /nfs/dbraw/zinc/78/83/13/608788313.db2.gz UZTPFOAFZGVPNI-KGLIPLIRSA-N 1 1 334.445 0.524 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)[C@H](C)C2)c1 ZINC000947710440 611662315 /nfs/dbraw/zinc/66/23/15/611662315.db2.gz MTTVZTVJMQYJBD-CZUORRHYSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)[C@H](C)C2)c1 ZINC000947710440 611662318 /nfs/dbraw/zinc/66/23/18/611662318.db2.gz MTTVZTVJMQYJBD-CZUORRHYSA-N 1 1 338.415 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cc(C)n[nH]2)CC1 ZINC000947230437 608821210 /nfs/dbraw/zinc/82/12/10/608821210.db2.gz QSTJGWMCCPWROD-INIZCTEOSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cc(C)n[nH]2)CC1 ZINC000947230437 608821214 /nfs/dbraw/zinc/82/12/14/608821214.db2.gz QSTJGWMCCPWROD-INIZCTEOSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC000947230901 608826151 /nfs/dbraw/zinc/82/61/51/608826151.db2.gz XUKMQEZYHFFUGL-HNNXBMFYSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC000947230901 608826154 /nfs/dbraw/zinc/82/61/54/608826154.db2.gz XUKMQEZYHFFUGL-HNNXBMFYSA-N 1 1 329.404 0.228 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C ZINC000947712029 611663635 /nfs/dbraw/zinc/66/36/35/611663635.db2.gz ZVTJTVPPZQCPJM-GHMZBOCLSA-N 1 1 341.437 0.216 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC000949674130 608845532 /nfs/dbraw/zinc/84/55/32/608845532.db2.gz YMMVYPBKHXKKMV-CABCVRRESA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC000949674130 608845535 /nfs/dbraw/zinc/84/55/35/608845535.db2.gz YMMVYPBKHXKKMV-CABCVRRESA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000936731592 609029236 /nfs/dbraw/zinc/02/92/36/609029236.db2.gz SIJLRZJRFOPJTF-GJZGRUSLSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000936731592 609029240 /nfs/dbraw/zinc/02/92/40/609029240.db2.gz SIJLRZJRFOPJTF-GJZGRUSLSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000936731590 609029571 /nfs/dbraw/zinc/02/95/71/609029571.db2.gz SIJLRZJRFOPJTF-CABCVRRESA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000936731590 609029575 /nfs/dbraw/zinc/02/95/75/609029575.db2.gz SIJLRZJRFOPJTF-CABCVRRESA-N 1 1 329.404 0.180 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO2 ZINC000949121179 609064620 /nfs/dbraw/zinc/06/46/20/609064620.db2.gz VTJOGCMEGCXAED-CYBMUJFWSA-N 1 1 330.450 0.299 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cncs2)C1 ZINC000936788427 609087646 /nfs/dbraw/zinc/08/76/46/609087646.db2.gz DRHUHLBLZNIOPX-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cncs2)C1 ZINC000936788427 609087647 /nfs/dbraw/zinc/08/76/47/609087647.db2.gz DRHUHLBLZNIOPX-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000937849138 609113343 /nfs/dbraw/zinc/11/33/43/609113343.db2.gz BRTDPKJWNFXXTC-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC000938170617 609481995 /nfs/dbraw/zinc/48/19/95/609481995.db2.gz KXOHUEWTOJUTRL-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC000938170617 609481997 /nfs/dbraw/zinc/48/19/97/609481997.db2.gz KXOHUEWTOJUTRL-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000938171030 609483276 /nfs/dbraw/zinc/48/32/76/609483276.db2.gz SPGOEFFMLQYJHY-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000938171030 609483277 /nfs/dbraw/zinc/48/32/77/609483277.db2.gz SPGOEFFMLQYJHY-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)nn2C)C1 ZINC000938171968 609484690 /nfs/dbraw/zinc/48/46/90/609484690.db2.gz OBXXYKUAZOKUKV-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)nn2C)C1 ZINC000938171968 609484693 /nfs/dbraw/zinc/48/46/93/609484693.db2.gz OBXXYKUAZOKUKV-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000938227147 609552400 /nfs/dbraw/zinc/55/24/00/609552400.db2.gz UONBDIPZNVSHBT-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000908006970 609635478 /nfs/dbraw/zinc/63/54/78/609635478.db2.gz JLGGXOPKKKDOAH-LSDHHAIUSA-N 1 1 341.477 0.931 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)c1C#N ZINC000908285461 609649574 /nfs/dbraw/zinc/64/95/74/609649574.db2.gz QXLUWDDPLJDVBG-WBMJQRKESA-N 1 1 349.460 0.427 20 30 ECEDMO Cc1ncc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1C#N ZINC000919981321 609668199 /nfs/dbraw/zinc/66/81/99/609668199.db2.gz KZHFTYCLSFFDJU-SWLSCSKDSA-N 1 1 337.449 0.174 20 30 ECEDMO Cc1ncc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1C#N ZINC000919981321 609668203 /nfs/dbraw/zinc/66/82/03/609668203.db2.gz KZHFTYCLSFFDJU-SWLSCSKDSA-N 1 1 337.449 0.174 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[N@H+]1C ZINC000920403880 609680999 /nfs/dbraw/zinc/68/09/99/609680999.db2.gz JMIDKZVTMJIOMG-XFMPKHEZSA-N 1 1 340.449 0.049 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)CC2(OC)CCOCC2)CC1 ZINC000921436879 609716632 /nfs/dbraw/zinc/71/66/32/609716632.db2.gz GFLWCCISUKMSNX-UHFFFAOYSA-N 1 1 330.450 0.199 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000921439302 609716693 /nfs/dbraw/zinc/71/66/93/609716693.db2.gz XHNODQSINPWTLT-UHFFFAOYSA-N 1 1 346.416 0.038 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000064442245 609721281 /nfs/dbraw/zinc/72/12/81/609721281.db2.gz QZMZOSSQHWPONP-UHFFFAOYSA-N 1 1 335.429 0.839 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC000948071436 609721778 /nfs/dbraw/zinc/72/17/78/609721778.db2.gz YCBCNRMJPURCER-MNOVXSKESA-N 1 1 340.815 0.099 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC000948071436 609721779 /nfs/dbraw/zinc/72/17/79/609721779.db2.gz YCBCNRMJPURCER-MNOVXSKESA-N 1 1 340.815 0.099 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000938322407 609736142 /nfs/dbraw/zinc/73/61/42/609736142.db2.gz RVTDQBVLBDQJDH-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC000948796371 609750979 /nfs/dbraw/zinc/75/09/79/609750979.db2.gz FGJVEANJSHRDSE-HUUCEWRRSA-N 1 1 330.436 0.572 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000938372221 609758748 /nfs/dbraw/zinc/75/87/48/609758748.db2.gz GICCCCZFKVCKPN-HOTGVXAUSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C[C@H]1C ZINC000948017961 609766325 /nfs/dbraw/zinc/76/63/25/609766325.db2.gz YBKFLBFIJYTTDM-VXGBXAGGSA-N 1 1 327.812 0.857 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C[C@H]1C ZINC000948017961 609766327 /nfs/dbraw/zinc/76/63/27/609766327.db2.gz YBKFLBFIJYTTDM-VXGBXAGGSA-N 1 1 327.812 0.857 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000910920193 609780272 /nfs/dbraw/zinc/78/02/72/609780272.db2.gz QMUJMNVVKZZCNS-IKGGRYGDSA-N 1 1 349.475 0.859 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000914112420 609853979 /nfs/dbraw/zinc/85/39/79/609853979.db2.gz KORQWZDTAZWTTJ-IAGOWNOFSA-N 1 1 344.459 0.881 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000938547207 609862008 /nfs/dbraw/zinc/86/20/08/609862008.db2.gz FUNOMDDVUKBDBD-OAGGEKHMSA-N 1 1 346.431 0.842 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925409334 609888276 /nfs/dbraw/zinc/88/82/76/609888276.db2.gz NTAURPOEHGWGRI-STQMWFEESA-N 1 1 329.408 0.272 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](CC2CC2)C(C)C)c1=O ZINC000915208444 609907369 /nfs/dbraw/zinc/90/73/69/609907369.db2.gz MBXKQMUZBLTXHW-UHFFFAOYSA-N 1 1 334.420 0.622 20 30 ECEDMO COCCOCC[N@@H+](C)CCC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000911720263 609907511 /nfs/dbraw/zinc/90/75/11/609907511.db2.gz XNZJXFNRKKIUSL-HOTGVXAUSA-N 1 1 340.468 0.416 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccsn2)C1 ZINC000938756193 609981811 /nfs/dbraw/zinc/98/18/11/609981811.db2.gz JYGUHEHSUZYLBW-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccsn2)C1 ZINC000938756193 609981815 /nfs/dbraw/zinc/98/18/15/609981815.db2.gz JYGUHEHSUZYLBW-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccn(C)c2)C1 ZINC000938756306 609981979 /nfs/dbraw/zinc/98/19/79/609981979.db2.gz MIZKQJZPLSHPRM-SJORKVTESA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccn(C)c2)C1 ZINC000938756306 609981981 /nfs/dbraw/zinc/98/19/81/609981981.db2.gz MIZKQJZPLSHPRM-SJORKVTESA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000938863063 609994480 /nfs/dbraw/zinc/99/44/80/609994480.db2.gz NTXAGHPWFUFJJU-YVSFHVDLSA-N 1 1 345.443 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000938863063 609994484 /nfs/dbraw/zinc/99/44/84/609994484.db2.gz NTXAGHPWFUFJJU-YVSFHVDLSA-N 1 1 345.443 0.392 20 30 ECEDMO N#Cc1ccc(CSCC(=O)NC[C@]2(CO)COCC[NH2+]2)cc1 ZINC000913189688 610049312 /nfs/dbraw/zinc/04/93/12/610049312.db2.gz CQQOMKQRPSILPL-INIZCTEOSA-N 1 1 335.429 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000939209670 610115586 /nfs/dbraw/zinc/11/55/86/610115586.db2.gz XKMXDBWRXPXQRV-HOTGVXAUSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000939209670 610115588 /nfs/dbraw/zinc/11/55/88/610115588.db2.gz XKMXDBWRXPXQRV-HOTGVXAUSA-N 1 1 344.415 0.374 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nonc3C)C2)nn1 ZINC000939278019 610146647 /nfs/dbraw/zinc/14/66/47/610146647.db2.gz VGYLBCGBONGFAH-ZWNOBZJWSA-N 1 1 331.380 0.406 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000939920489 610167557 /nfs/dbraw/zinc/16/75/57/610167557.db2.gz CLKQRTXWVOKOSF-VQHPVUNQSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000939920489 610167558 /nfs/dbraw/zinc/16/75/58/610167558.db2.gz CLKQRTXWVOKOSF-VQHPVUNQSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2(C)CCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000940024159 610187978 /nfs/dbraw/zinc/18/79/78/610187978.db2.gz BSZNSVZEALLDNY-OAHLLOKOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000940596388 610310895 /nfs/dbraw/zinc/31/08/95/610310895.db2.gz NIDKSGGZAPXLOW-CRAIPNDOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000940596388 610310897 /nfs/dbraw/zinc/31/08/97/610310897.db2.gz NIDKSGGZAPXLOW-CRAIPNDOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCOC[C@@H]3OC)CC2)C1 ZINC000941432800 610313040 /nfs/dbraw/zinc/31/30/40/610313040.db2.gz HAYJKDLINNIPKS-WBVHZDCISA-N 1 1 337.464 0.442 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCN(C3CN(CC#N)C3)CC2)C1 ZINC000941433147 610313085 /nfs/dbraw/zinc/31/30/85/610313085.db2.gz OUNQMCLYINEDAB-INIZCTEOSA-N 1 1 333.480 0.316 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(C)nnn3CC)CC2)C1 ZINC000941437013 610314793 /nfs/dbraw/zinc/31/47/93/610314793.db2.gz OIDJCFCITOXAFX-UHFFFAOYSA-N 1 1 330.436 0.072 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cncc(COC)c3)CC2)C1 ZINC000941440785 610316693 /nfs/dbraw/zinc/31/66/93/610316693.db2.gz QYBFUKNGKPXJPH-UHFFFAOYSA-N 1 1 330.432 0.856 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC000941447173 610322730 /nfs/dbraw/zinc/32/27/30/610322730.db2.gz PWERUGAENRSVBK-HNNXBMFYSA-N 1 1 334.464 0.259 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940656728 610326514 /nfs/dbraw/zinc/32/65/14/610326514.db2.gz FLYNCNJAZRNAAF-HUUCEWRRSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC000941480204 610334964 /nfs/dbraw/zinc/33/49/64/610334964.db2.gz HTLPPCWOHHTNCU-QGZVFWFLSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ncc4ccccn43)CC2)C1 ZINC000941484814 610337563 /nfs/dbraw/zinc/33/75/63/610337563.db2.gz ICYWFLIIPMYMRH-UHFFFAOYSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCn3nc(C)cc3C)CC2)C1 ZINC000941509334 610349817 /nfs/dbraw/zinc/34/98/17/610349817.db2.gz FISPNAKPYFPRFC-UHFFFAOYSA-N 1 1 343.475 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CCCC2)[C@H](OC)C1 ZINC000941520151 610355707 /nfs/dbraw/zinc/35/57/07/610355707.db2.gz SZXYKZXAHBKZDP-IXDOHACOSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2=CCCC2)[C@H](OC)C1 ZINC000941520151 610355710 /nfs/dbraw/zinc/35/57/10/610355710.db2.gz SZXYKZXAHBKZDP-IXDOHACOSA-N 1 1 345.443 0.536 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940783245 610360185 /nfs/dbraw/zinc/36/01/85/610360185.db2.gz UZQLQESDVKSLQT-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)Oc3cccnc3)CC2)C1 ZINC000941559517 610381848 /nfs/dbraw/zinc/38/18/48/610381848.db2.gz DWOSWVIQBNJUSQ-INIZCTEOSA-N 1 1 342.443 0.701 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)C1 ZINC000941600794 610401151 /nfs/dbraw/zinc/40/11/51/610401151.db2.gz DUOIXOIREJGFGR-UHFFFAOYSA-N 1 1 348.472 0.865 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc4ncccn4n3)CC2)C1 ZINC000941613408 610409536 /nfs/dbraw/zinc/40/95/36/610409536.db2.gz NDEUSMXTQCCQQJ-UHFFFAOYSA-N 1 1 326.404 0.357 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873327 610421105 /nfs/dbraw/zinc/42/11/05/610421105.db2.gz LAXMKSGJDHBBTG-KGLIPLIRSA-N 1 1 326.462 0.661 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)C1 ZINC000941661940 610430705 /nfs/dbraw/zinc/43/07/05/610430705.db2.gz MWCOJAYIUWTLHD-UHFFFAOYSA-N 1 1 342.443 0.804 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](C)C1 ZINC000942391923 610433348 /nfs/dbraw/zinc/43/33/48/610433348.db2.gz HKUPGMMRNNKGIX-HUUCEWRRSA-N 1 1 348.447 0.906 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C(C)(C)C1 ZINC000940925050 610442872 /nfs/dbraw/zinc/44/28/72/610442872.db2.gz CUTQWZOTDWNBKA-AWEZNQCLSA-N 1 1 341.415 0.346 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000941672294 610445907 /nfs/dbraw/zinc/44/59/07/610445907.db2.gz CXIZAUIQMZYAIE-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCn3cc(C)cn3)CC2)C1 ZINC000941677841 610450546 /nfs/dbraw/zinc/45/05/46/610450546.db2.gz WVOABVNFSMXCMZ-UHFFFAOYSA-N 1 1 329.448 0.433 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000942494975 610480949 /nfs/dbraw/zinc/48/09/49/610480949.db2.gz DAPDIEKUERMLRR-GJZGRUSLSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(C)(C)C1 ZINC000941029173 610505207 /nfs/dbraw/zinc/50/52/07/610505207.db2.gz TTYAYWAWTDZBTO-XQQFMLRXSA-N 1 1 343.855 0.989 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(C)(C)C1 ZINC000941029173 610505208 /nfs/dbraw/zinc/50/52/08/610505208.db2.gz TTYAYWAWTDZBTO-XQQFMLRXSA-N 1 1 343.855 0.989 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941792057 610511245 /nfs/dbraw/zinc/51/12/45/610511245.db2.gz XBFDFRWVSDUOHV-CZUORRHYSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)C[C@@H]1C ZINC000947903847 610523683 /nfs/dbraw/zinc/52/36/83/610523683.db2.gz PMRSYAPGQXNJAH-KBPBESRZSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)C[C@H]1C ZINC000947903850 610523778 /nfs/dbraw/zinc/52/37/78/610523778.db2.gz PMRSYAPGQXNJAH-ZIAGYGMSSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941090234 610531376 /nfs/dbraw/zinc/53/13/76/610531376.db2.gz AKLDWVRWEQNUOV-ZIAGYGMSSA-N 1 1 341.477 0.260 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000941103256 610538282 /nfs/dbraw/zinc/53/82/82/610538282.db2.gz QZVXRFHCQJTBNB-XHSDSOJGSA-N 1 1 335.448 0.590 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]2C)c1 ZINC000942614212 610538389 /nfs/dbraw/zinc/53/83/89/610538389.db2.gz CFHPJLKANBVYAA-DYVFJYSZSA-N 1 1 340.427 0.782 20 30 ECEDMO C[C@@H]1C[N@H+](CCS(C)(=O)=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931368 610568984 /nfs/dbraw/zinc/56/89/84/610568984.db2.gz YMAQFPXYNDIJDS-YPMHNXCESA-N 1 1 338.433 0.371 20 30 ECEDMO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931368 610568986 /nfs/dbraw/zinc/56/89/86/610568986.db2.gz YMAQFPXYNDIJDS-YPMHNXCESA-N 1 1 338.433 0.371 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000941162363 610570075 /nfs/dbraw/zinc/57/00/75/610570075.db2.gz ZIYQZBVZQWAIEG-ZDUSSCGKSA-N 1 1 334.420 0.120 20 30 ECEDMO C[C@H]1C[N@H+](CCS(C)(=O)=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964860 610586969 /nfs/dbraw/zinc/58/69/69/610586969.db2.gz UZKVKLVJOXURAF-SMDDNHRTSA-N 1 1 338.433 0.371 20 30 ECEDMO C[C@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964860 610586971 /nfs/dbraw/zinc/58/69/71/610586971.db2.gz UZKVKLVJOXURAF-SMDDNHRTSA-N 1 1 338.433 0.371 20 30 ECEDMO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000942752713 610599440 /nfs/dbraw/zinc/59/94/40/610599440.db2.gz VITHXJXGBYBKEH-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2ccc(C)n2)C1 ZINC000941241654 610614420 /nfs/dbraw/zinc/61/44/20/610614420.db2.gz JFDBEIBFSWGMLG-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2ccc(C)n2)C1 ZINC000941241654 610614422 /nfs/dbraw/zinc/61/44/22/610614422.db2.gz JFDBEIBFSWGMLG-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccsn2)C1 ZINC000941242134 610615019 /nfs/dbraw/zinc/61/50/19/610615019.db2.gz WCWHNINQVQMOEO-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccsn2)C1 ZINC000941242134 610615022 /nfs/dbraw/zinc/61/50/22/610615022.db2.gz WCWHNINQVQMOEO-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC000941237916 610621578 /nfs/dbraw/zinc/62/15/78/610621578.db2.gz LXBQXDHZBFZTRY-HIFRSBDPSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC000941237916 610621581 /nfs/dbraw/zinc/62/15/81/610621581.db2.gz LXBQXDHZBFZTRY-HIFRSBDPSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000941237950 610621780 /nfs/dbraw/zinc/62/17/80/610621780.db2.gz MRZRWUWAEHARKQ-CVEARBPZSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000941237950 610621781 /nfs/dbraw/zinc/62/17/81/610621781.db2.gz MRZRWUWAEHARKQ-CVEARBPZSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000941238169 610621969 /nfs/dbraw/zinc/62/19/69/610621969.db2.gz WCRZCZIFRUWZBU-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000941238169 610621971 /nfs/dbraw/zinc/62/19/71/610621971.db2.gz WCRZCZIFRUWZBU-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(C)nc2)C1 ZINC000941238161 610622392 /nfs/dbraw/zinc/62/23/92/610622392.db2.gz WAWPOAFJLCKKIU-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(C)nc2)C1 ZINC000941238161 610622394 /nfs/dbraw/zinc/62/23/94/610622394.db2.gz WAWPOAFJLCKKIU-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](C)C1 ZINC000942056839 610635458 /nfs/dbraw/zinc/63/54/58/610635458.db2.gz JFARCCDTDVKEEW-UONOGXRCSA-N 1 1 333.432 0.621 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](C)C1 ZINC000942859900 610651492 /nfs/dbraw/zinc/65/14/92/610651492.db2.gz OXLPENAPNAFCPB-KBPBESRZSA-N 1 1 330.432 0.814 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCCN(C(=O)[C@H](C)C#N)CC1)CC2 ZINC000942103169 610652018 /nfs/dbraw/zinc/65/20/18/610652018.db2.gz LXTBXKSVVZLFBE-HIFRSBDPSA-N 1 1 343.431 0.975 20 30 ECEDMO C=C(C)CC[NH+]1CC(N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC000941371594 610699514 /nfs/dbraw/zinc/69/95/14/610699514.db2.gz WDBLPSMRTRYODP-UHFFFAOYSA-N 1 1 332.452 0.532 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000942245205 610717478 /nfs/dbraw/zinc/71/74/78/610717478.db2.gz JEGHZXUCLQYRJK-KCQAQPDRSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cn(CCOC)nc3C)CC2)C1 ZINC000941408690 610722832 /nfs/dbraw/zinc/72/28/32/610722832.db2.gz QEXJREXBIXNOAG-UHFFFAOYSA-N 1 1 347.463 0.466 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2C)nc1 ZINC000944193068 610776175 /nfs/dbraw/zinc/77/61/75/610776175.db2.gz RAUPCZSTNOSHMN-GOEBONIOSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000943261488 610778570 /nfs/dbraw/zinc/77/85/70/610778570.db2.gz QJUCSNQBKBAJEC-HUUCEWRRSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 ZINC000944790271 610787538 /nfs/dbraw/zinc/78/75/38/610787538.db2.gz PBEMGUJBLLHPKF-PWSUYJOCSA-N 1 1 342.827 0.460 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 ZINC000944790271 610787539 /nfs/dbraw/zinc/78/75/39/610787539.db2.gz PBEMGUJBLLHPKF-PWSUYJOCSA-N 1 1 342.827 0.460 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2ccon2)C1 ZINC000943337527 610807830 /nfs/dbraw/zinc/80/78/30/610807830.db2.gz SAINTYSGHQJXAE-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2ccon2)C1 ZINC000943337527 610807833 /nfs/dbraw/zinc/80/78/33/610807833.db2.gz SAINTYSGHQJXAE-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000944276823 610819186 /nfs/dbraw/zinc/81/91/86/610819186.db2.gz COMLQCFXHQCFKD-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ncoc2C)CC1 ZINC000944928372 610846107 /nfs/dbraw/zinc/84/61/07/610846107.db2.gz PHLWJVVFNDBXMZ-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ncoc2C)CC1 ZINC000944928372 610846108 /nfs/dbraw/zinc/84/61/08/610846108.db2.gz PHLWJVVFNDBXMZ-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C[C@H]2C)cc1 ZINC000943464021 610850842 /nfs/dbraw/zinc/85/08/42/610850842.db2.gz CAQFESSODBEXIB-PBHICJAKSA-N 1 1 343.427 0.885 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)C[C@H]2C)nn1 ZINC000943480485 610867937 /nfs/dbraw/zinc/86/79/37/610867937.db2.gz DHLLZQFLUSOZGJ-HIFRSBDPSA-N 1 1 343.435 0.838 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000945286104 611003749 /nfs/dbraw/zinc/00/37/49/611003749.db2.gz HHWYHZGQMJJWMP-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 ZINC000944654818 611062340 /nfs/dbraw/zinc/06/23/40/611062340.db2.gz PANRTCKJHPNMMC-STQMWFEESA-N 1 1 336.436 0.720 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1C ZINC000944062958 611109519 /nfs/dbraw/zinc/10/95/19/611109519.db2.gz SOZMKGMWFWINQN-STQMWFEESA-N 1 1 332.404 0.572 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1C ZINC000944062958 611109522 /nfs/dbraw/zinc/10/95/22/611109522.db2.gz SOZMKGMWFWINQN-STQMWFEESA-N 1 1 332.404 0.572 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cc3c([nH]c2=O)CCOC3)[C@H](C)C1 ZINC000944082015 611118137 /nfs/dbraw/zinc/11/81/37/611118137.db2.gz VKOFUWBVKHSALL-DOMZBBRYSA-N 1 1 329.400 0.933 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2c(OC)ncnc2OC)[C@H](C)C1 ZINC000945942030 611162622 /nfs/dbraw/zinc/16/26/22/611162622.db2.gz HICWXHCDDOBFJE-CHWSQXEVSA-N 1 1 332.404 0.957 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c(OC)ncnc2OC)[C@H](C)C1 ZINC000945944052 611163092 /nfs/dbraw/zinc/16/30/92/611163092.db2.gz RCLAGYCSEVECOP-CHWSQXEVSA-N 1 1 332.404 0.957 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(C)CCCS3(=O)=O)CC[C@@H]2C1 ZINC000946818880 611171949 /nfs/dbraw/zinc/17/19/49/611171949.db2.gz QJOUZIBUZGTBPV-HLLBOEOZSA-N 1 1 338.473 0.757 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC)C[C@H]3CC2)nc1 ZINC000946863797 611206059 /nfs/dbraw/zinc/20/60/59/611206059.db2.gz DLHLZOJXEZIBJU-IYBDPMFKSA-N 1 1 340.427 0.593 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946863749 611206148 /nfs/dbraw/zinc/20/61/48/611206148.db2.gz BASUADDKCROEDT-IYBDPMFKSA-N 1 1 343.427 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1 ZINC000923552965 611259872 /nfs/dbraw/zinc/25/98/72/611259872.db2.gz GLYJZYFMRZDUDV-HOTGVXAUSA-N 1 1 347.390 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1 ZINC000923552965 611259873 /nfs/dbraw/zinc/25/98/73/611259873.db2.gz GLYJZYFMRZDUDV-HOTGVXAUSA-N 1 1 347.390 0.130 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCCOC)n2)C1 ZINC000923558771 611260925 /nfs/dbraw/zinc/26/09/25/611260925.db2.gz VLJBQBQYVBSLEQ-CQSZACIVSA-N 1 1 332.404 0.107 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCCOC)n2)C1 ZINC000923558771 611260927 /nfs/dbraw/zinc/26/09/27/611260927.db2.gz VLJBQBQYVBSLEQ-CQSZACIVSA-N 1 1 332.404 0.107 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)COC)CC[C@@H]3C2)C1=O ZINC000946430644 611262022 /nfs/dbraw/zinc/26/20/22/611262022.db2.gz OGZLCCTZXDVSDP-OWCLPIDISA-N 1 1 335.448 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)(F)F)C1 ZINC000923562575 611263034 /nfs/dbraw/zinc/26/30/34/611263034.db2.gz ZZHMYVATVZYSGI-OLZOCXBDSA-N 1 1 333.354 0.463 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)(F)F)C1 ZINC000923562575 611263035 /nfs/dbraw/zinc/26/30/35/611263035.db2.gz ZZHMYVATVZYSGI-OLZOCXBDSA-N 1 1 333.354 0.463 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2-c2cnn(C)c2)C1 ZINC000923564164 611263657 /nfs/dbraw/zinc/26/36/57/611263657.db2.gz NZWCVCPXVONSLE-CQSZACIVSA-N 1 1 326.404 0.648 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2-c2cnn(C)c2)C1 ZINC000923564164 611263660 /nfs/dbraw/zinc/26/36/60/611263660.db2.gz NZWCVCPXVONSLE-CQSZACIVSA-N 1 1 326.404 0.648 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000923590588 611270803 /nfs/dbraw/zinc/27/08/03/611270803.db2.gz XIVULCPUWMOKQP-SRVKXCTJSA-N 1 1 331.338 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000923590588 611270805 /nfs/dbraw/zinc/27/08/05/611270805.db2.gz XIVULCPUWMOKQP-SRVKXCTJSA-N 1 1 331.338 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 ZINC000923593830 611274853 /nfs/dbraw/zinc/27/48/53/611274853.db2.gz XJXMXAQBLSSISF-CAOSSQGBSA-N 1 1 345.443 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 ZINC000923593830 611274854 /nfs/dbraw/zinc/27/48/54/611274854.db2.gz XJXMXAQBLSSISF-CAOSSQGBSA-N 1 1 345.443 0.764 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000946517546 611296651 /nfs/dbraw/zinc/29/66/51/611296651.db2.gz FISYWOIUECAQBZ-BLLLJJGKSA-N 1 1 343.431 0.805 20 30 ECEDMO Cc1ccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1C#N ZINC000929102021 611729259 /nfs/dbraw/zinc/72/92/59/611729259.db2.gz HXNCSBIEGSSDNI-UHFFFAOYSA-N 1 1 344.415 0.321 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)[C@@H](C)C2)nc1 ZINC000947947380 611751995 /nfs/dbraw/zinc/75/19/95/611751995.db2.gz GCGAZPDFWKXGJB-DZGCQCFKSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)[C@@H](C)C2)nc1 ZINC000947947380 611751997 /nfs/dbraw/zinc/75/19/97/611751997.db2.gz GCGAZPDFWKXGJB-DZGCQCFKSA-N 1 1 338.415 0.974 20 30 ECEDMO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC000948969192 611776700 /nfs/dbraw/zinc/77/67/00/611776700.db2.gz ANIVROGNTFSBOH-MRXNPFEDSA-N 1 1 341.411 0.941 20 30 ECEDMO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC000948969192 611776703 /nfs/dbraw/zinc/77/67/03/611776703.db2.gz ANIVROGNTFSBOH-MRXNPFEDSA-N 1 1 341.411 0.941 20 30 ECEDMO C#C[C@H]1CCCC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000934513386 611805679 /nfs/dbraw/zinc/80/56/79/611805679.db2.gz NLLAOWUHPZUZQL-ZDUSSCGKSA-N 1 1 329.404 0.312 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cocn2)C1 ZINC000950645381 611814558 /nfs/dbraw/zinc/81/45/58/611814558.db2.gz UJIWGNSDSOBRIO-NFAWXSAZSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cocn2)C1 ZINC000950645381 611814560 /nfs/dbraw/zinc/81/45/60/611814560.db2.gz UJIWGNSDSOBRIO-NFAWXSAZSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC000949169385 611886527 /nfs/dbraw/zinc/88/65/27/611886527.db2.gz WCPDTGJTYXSWPN-HOTGVXAUSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC000949169385 611886529 /nfs/dbraw/zinc/88/65/29/611886529.db2.gz WCPDTGJTYXSWPN-HOTGVXAUSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccccc1O ZINC000950754517 611889768 /nfs/dbraw/zinc/88/97/68/611889768.db2.gz VLOAEAWWYHMQMS-HOCLYGCPSA-N 1 1 341.411 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccccc1O ZINC000950754517 611889770 /nfs/dbraw/zinc/88/97/70/611889770.db2.gz VLOAEAWWYHMQMS-HOCLYGCPSA-N 1 1 341.411 0.821 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccncc1C ZINC000950755060 611890507 /nfs/dbraw/zinc/89/05/07/611890507.db2.gz CHDIWUCLYMMJHP-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccncc1C ZINC000950755060 611890509 /nfs/dbraw/zinc/89/05/09/611890509.db2.gz CHDIWUCLYMMJHP-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cn(CC)cn1 ZINC000950755815 611891340 /nfs/dbraw/zinc/89/13/40/611891340.db2.gz VDVHKZHLUYSWIR-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cn(CC)cn1 ZINC000950755815 611891341 /nfs/dbraw/zinc/89/13/41/611891341.db2.gz VDVHKZHLUYSWIR-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1onc(C)c1C ZINC000950755783 611891436 /nfs/dbraw/zinc/89/14/36/611891436.db2.gz UJKRSLVKHTTZGM-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1onc(C)c1C ZINC000950755783 611891437 /nfs/dbraw/zinc/89/14/37/611891437.db2.gz UJKRSLVKHTTZGM-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC000949264987 611922863 /nfs/dbraw/zinc/92/28/63/611922863.db2.gz VOPAIXMFIDMWLI-ZFWWWQNUSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cccc(=O)[nH]1 ZINC000949264987 611922866 /nfs/dbraw/zinc/92/28/66/611922866.db2.gz VOPAIXMFIDMWLI-ZFWWWQNUSA-N 1 1 342.399 0.216 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000950245974 611926757 /nfs/dbraw/zinc/92/67/57/611926757.db2.gz NWKZHMHIJHAMHA-MRVWCRGKSA-N 1 1 329.404 0.557 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000949283409 611927884 /nfs/dbraw/zinc/92/78/84/611927884.db2.gz MZRAWUDURYZPCR-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949293722 611930038 /nfs/dbraw/zinc/93/00/38/611930038.db2.gz UWQCSQOZGBMVSY-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC000949362171 611952371 /nfs/dbraw/zinc/95/23/71/611952371.db2.gz BAMOTDNASDZRBM-UHFFFAOYSA-N 1 1 330.432 0.679 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(CC)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC000950360003 611986012 /nfs/dbraw/zinc/98/60/12/611986012.db2.gz MLXNXEXTEARZIG-DJIMGWMZSA-N 1 1 348.491 0.646 20 30 ECEDMO C#CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000949471305 611991522 /nfs/dbraw/zinc/99/15/22/611991522.db2.gz XCKZFXRECOYCMU-SJORKVTESA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCCN1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000949471305 611991527 /nfs/dbraw/zinc/99/15/27/611991527.db2.gz XCKZFXRECOYCMU-SJORKVTESA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCCN1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000949471305 611991529 /nfs/dbraw/zinc/99/15/29/611991529.db2.gz XCKZFXRECOYCMU-SJORKVTESA-N 1 1 333.476 0.901 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC000949519983 612018630 /nfs/dbraw/zinc/01/86/30/612018630.db2.gz FALKTWIMYVJBOL-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC000949519983 612018631 /nfs/dbraw/zinc/01/86/31/612018631.db2.gz FALKTWIMYVJBOL-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1coc(C)n1 ZINC000949563045 612031913 /nfs/dbraw/zinc/03/19/13/612031913.db2.gz QCRDYMJDPIZUHF-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1coc(C)n1 ZINC000949563045 612031915 /nfs/dbraw/zinc/03/19/15/612031915.db2.gz QCRDYMJDPIZUHF-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950517238 612049525 /nfs/dbraw/zinc/04/95/25/612049525.db2.gz KHABMQLRFRQIDM-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(CC)C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC000949796282 612078863 /nfs/dbraw/zinc/07/88/63/612078863.db2.gz GRDIXXFNAVAHDN-CVEARBPZSA-N 1 1 334.464 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(C)(F)F)C1 ZINC000951223461 612088617 /nfs/dbraw/zinc/08/86/17/612088617.db2.gz IGIUANWXYCUBEN-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(C)(F)F)C1 ZINC000951223461 612088620 /nfs/dbraw/zinc/08/86/20/612088620.db2.gz IGIUANWXYCUBEN-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cnns2)C1 ZINC000951223790 612089171 /nfs/dbraw/zinc/08/91/71/612089171.db2.gz PUIYOESJCUKHMN-STQMWFEESA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cnns2)C1 ZINC000951223790 612089174 /nfs/dbraw/zinc/08/91/74/612089174.db2.gz PUIYOESJCUKHMN-STQMWFEESA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC000951223873 612089198 /nfs/dbraw/zinc/08/91/98/612089198.db2.gz RREKLOGZMCEIBT-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC000951223873 612089200 /nfs/dbraw/zinc/08/92/00/612089200.db2.gz RREKLOGZMCEIBT-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000951875582 612107120 /nfs/dbraw/zinc/10/71/20/612107120.db2.gz ILHJDPKOHNMDKT-RYUDHWBXSA-N 1 1 333.392 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2[nH]cnc2C)C1 ZINC000951322235 612157914 /nfs/dbraw/zinc/15/79/14/612157914.db2.gz AUFAGAYYZJAUBV-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2[nH]cnc2C)C1 ZINC000951322235 612157916 /nfs/dbraw/zinc/15/79/16/612157916.db2.gz AUFAGAYYZJAUBV-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccn(C)c1C ZINC000951989068 612168322 /nfs/dbraw/zinc/16/83/22/612168322.db2.gz JORYZWKHVHOHDJ-WBVHZDCISA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccn(C)c1C ZINC000951989068 612168323 /nfs/dbraw/zinc/16/83/23/612168323.db2.gz JORYZWKHVHOHDJ-WBVHZDCISA-N 1 1 342.443 0.762 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000952014177 612177167 /nfs/dbraw/zinc/17/71/67/612177167.db2.gz HABNOENZHUMQSK-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000954470937 612308815 /nfs/dbraw/zinc/30/88/15/612308815.db2.gz WCJTWOOAEYVYOH-DZGCQCFKSA-N 1 1 335.448 0.731 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000954472839 612309580 /nfs/dbraw/zinc/30/95/80/612309580.db2.gz ITSVDMVVZQFWRZ-GOEBONIOSA-N 1 1 347.459 0.875 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000954472838 612310113 /nfs/dbraw/zinc/31/01/13/612310113.db2.gz ITSVDMVVZQFWRZ-GDBMZVCRSA-N 1 1 347.459 0.875 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000955261207 612390679 /nfs/dbraw/zinc/39/06/79/612390679.db2.gz YGFUTFUXNBPKCQ-HOCLYGCPSA-N 1 1 347.459 0.875 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000955262611 612391950 /nfs/dbraw/zinc/39/19/50/612391950.db2.gz DFFAXPOJEWCVOX-CXAGYDPISA-N 1 1 340.427 0.543 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000955263632 612393346 /nfs/dbraw/zinc/39/33/46/612393346.db2.gz HEWIQIXEECQJHO-CXAGYDPISA-N 1 1 340.427 0.686 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2onc(C)c2C)C1 ZINC000954580899 612418428 /nfs/dbraw/zinc/41/84/28/612418428.db2.gz HUSCCOKIBPMJBJ-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2onc(C)c2C)C1 ZINC000954580899 612418430 /nfs/dbraw/zinc/41/84/30/612418430.db2.gz HUSCCOKIBPMJBJ-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2[nH]cnc2CC)C1 ZINC000954630705 612468658 /nfs/dbraw/zinc/46/86/58/612468658.db2.gz HISMFJIEEONKPS-HNNXBMFYSA-N 1 1 343.431 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2[nH]cnc2CC)C1 ZINC000954630705 612468659 /nfs/dbraw/zinc/46/86/59/612468659.db2.gz HISMFJIEEONKPS-HNNXBMFYSA-N 1 1 343.431 0.353 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cncc(F)c2)C1 ZINC000954631307 612469562 /nfs/dbraw/zinc/46/95/62/612469562.db2.gz VQSUOFAYZQLIKG-INIZCTEOSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cncc(F)c2)C1 ZINC000954631307 612469565 /nfs/dbraw/zinc/46/95/65/612469565.db2.gz VQSUOFAYZQLIKG-INIZCTEOSA-N 1 1 344.390 0.601 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000955926350 612490682 /nfs/dbraw/zinc/49/06/82/612490682.db2.gz ACMJQRUYGXEBQG-LSDHHAIUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCN1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000246415111 612504306 /nfs/dbraw/zinc/50/43/06/612504306.db2.gz LLIKOIXTJZZORK-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000956777144 612519017 /nfs/dbraw/zinc/51/90/17/612519017.db2.gz UULIJJUWDHGYBR-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000953998280 612536247 /nfs/dbraw/zinc/53/62/47/612536247.db2.gz WSRKQDCAXHIQLI-UHFFFAOYSA-N 1 1 343.431 0.901 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC000955970576 612543184 /nfs/dbraw/zinc/54/31/84/612543184.db2.gz PANZIQCYUZYIPU-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(Br)CN1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000951763030 612574879 /nfs/dbraw/zinc/57/48/79/612574879.db2.gz WNNMWWCZEYGFPG-UHFFFAOYSA-N 1 1 346.269 0.762 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000954707687 612577138 /nfs/dbraw/zinc/57/71/38/612577138.db2.gz YLZRVGPPNCBRMN-OAGGEKHMSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000954044914 612585906 /nfs/dbraw/zinc/58/59/06/612585906.db2.gz XFOQDXWIAAYLAM-SFHVURJKSA-N 1 1 341.455 0.947 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000954044914 612585908 /nfs/dbraw/zinc/58/59/08/612585908.db2.gz XFOQDXWIAAYLAM-SFHVURJKSA-N 1 1 341.455 0.947 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956837251 612607808 /nfs/dbraw/zinc/60/78/08/612607808.db2.gz IQOHWYLIOHQXQD-FZKQIMNGSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC000956017437 612613921 /nfs/dbraw/zinc/61/39/21/612613921.db2.gz DVHPCMXKEZWBMV-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956841857 612615093 /nfs/dbraw/zinc/61/50/93/612615093.db2.gz RTAWPSNZAFVQBP-ACJLOTCBSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cnco1 ZINC000956073674 612677262 /nfs/dbraw/zinc/67/72/62/612677262.db2.gz UYVUDAKZSBMPFM-KBPBESRZSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cnco1 ZINC000956073674 612677263 /nfs/dbraw/zinc/67/72/63/612677263.db2.gz UYVUDAKZSBMPFM-KBPBESRZSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cnns1 ZINC000956073119 612677504 /nfs/dbraw/zinc/67/75/04/612677504.db2.gz NUQLMNFIVRTTFT-STQMWFEESA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cnns1 ZINC000956073119 612677508 /nfs/dbraw/zinc/67/75/08/612677508.db2.gz NUQLMNFIVRTTFT-STQMWFEESA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1nccs1 ZINC000956176043 612759412 /nfs/dbraw/zinc/75/94/12/612759412.db2.gz YLKAQUSTXPKXPB-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1nccs1 ZINC000956176043 612759415 /nfs/dbraw/zinc/75/94/15/612759415.db2.gz YLKAQUSTXPKXPB-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccn(CC)n2)C1 ZINC000954269023 612812845 /nfs/dbraw/zinc/81/28/45/612812845.db2.gz CHMALQZWFMVCRQ-INIZCTEOSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccn(CC)n2)C1 ZINC000954269023 612812847 /nfs/dbraw/zinc/81/28/47/612812847.db2.gz CHMALQZWFMVCRQ-INIZCTEOSA-N 1 1 343.431 0.283 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000954426776 612905029 /nfs/dbraw/zinc/90/50/29/612905029.db2.gz ZBBPSVKCANNDIU-YJBOKZPZSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000954426776 612905031 /nfs/dbraw/zinc/90/50/31/612905031.db2.gz ZBBPSVKCANNDIU-YJBOKZPZSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccncc2)C1 ZINC000956643723 612927699 /nfs/dbraw/zinc/92/76/99/612927699.db2.gz OIANLDFPNQKBOL-QFBILLFUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccncc2)C1 ZINC000956643723 612927700 /nfs/dbraw/zinc/92/77/00/612927700.db2.gz OIANLDFPNQKBOL-QFBILLFUSA-N 1 1 340.427 0.900 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C#N)nc3C)CC[C@H]2C1 ZINC001164861581 720869868 /nfs/dbraw/zinc/86/98/68/720869868.db2.gz XYOFBVGVDLLBNU-HOCLYGCPSA-N 1 1 331.420 0.830 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)Nc2cnc(C#N)cn2)C1 ZINC001098215595 735305395 /nfs/dbraw/zinc/30/53/95/735305395.db2.gz RBRNVHOBGOQXOI-TZMCWYRMSA-N 1 1 332.408 0.374 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC001041786698 782204614 /nfs/dbraw/zinc/20/46/14/782204614.db2.gz IPKDPRDCKIIXDA-MRXNPFEDSA-N 1 1 328.376 0.142 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cncc3C)C2)C1=O ZINC000971950281 735429798 /nfs/dbraw/zinc/42/97/98/735429798.db2.gz SMQNYRNEQVVOJN-CVEARBPZSA-N 1 1 345.447 0.511 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](C)N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001104537409 738446628 /nfs/dbraw/zinc/44/66/28/738446628.db2.gz DROYBSJLJPHZNX-OCCSQVGLSA-N 1 1 346.435 0.500 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](C)N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001104537409 738446630 /nfs/dbraw/zinc/44/66/30/738446630.db2.gz DROYBSJLJPHZNX-OCCSQVGLSA-N 1 1 346.435 0.500 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001023344814 736717524 /nfs/dbraw/zinc/71/75/24/736717524.db2.gz UXTTUXQCJZEZCK-MNOVXSKESA-N 1 1 346.225 0.832 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001023344814 736717526 /nfs/dbraw/zinc/71/75/26/736717526.db2.gz UXTTUXQCJZEZCK-MNOVXSKESA-N 1 1 346.225 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)nc1 ZINC001041795144 782224903 /nfs/dbraw/zinc/22/49/03/782224903.db2.gz ZHQPFAQUHPOSLJ-LJQANCHMSA-N 1 1 340.427 0.689 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cnn(C)c3)C2)C1=O ZINC000969277252 731666044 /nfs/dbraw/zinc/66/60/44/731666044.db2.gz UWJDEUVECHQPFW-DOMZBBRYSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cccn3C)C2)C1=O ZINC000969320290 731716692 /nfs/dbraw/zinc/71/66/92/731716692.db2.gz TXAMYVVNWCFTBU-CZUORRHYSA-N 1 1 330.432 0.862 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1 ZINC001069979763 790273188 /nfs/dbraw/zinc/27/31/88/790273188.db2.gz NJJJAOMWDSCNIX-CABCVRRESA-N 1 1 342.403 0.539 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C)nn3C)C2)C1=O ZINC000969366640 731769077 /nfs/dbraw/zinc/76/90/77/731769077.db2.gz XZJCMNZAUDNCOL-UKRRQHHQSA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000969465588 731912205 /nfs/dbraw/zinc/91/22/05/731912205.db2.gz GLMRVAJPAOUMDL-MNOVXSKESA-N 1 1 329.404 0.604 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC000969482276 731919780 /nfs/dbraw/zinc/91/97/80/731919780.db2.gz CTKJZVBOPNASFY-DOMZBBRYSA-N 1 1 344.415 0.624 20 30 ECEDMO CC(C)N1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000969514762 731935680 /nfs/dbraw/zinc/93/56/80/731935680.db2.gz RMVBMBJAKIWAJP-MLGOLLRUSA-N 1 1 343.431 0.946 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000969594589 731992614 /nfs/dbraw/zinc/99/26/14/731992614.db2.gz MLUDORFWJYMNCZ-BMIGLBTASA-N 1 1 346.362 0.742 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969787738 732348792 /nfs/dbraw/zinc/34/87/92/732348792.db2.gz FVPPESZRLQBXPV-CJNGLKHVSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001208963444 732439096 /nfs/dbraw/zinc/43/90/96/732439096.db2.gz KPMRHRDCOLKGSJ-IVMMDQJWSA-N 1 1 345.447 0.399 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001208963444 732439099 /nfs/dbraw/zinc/43/90/99/732439099.db2.gz KPMRHRDCOLKGSJ-IVMMDQJWSA-N 1 1 345.447 0.399 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2noc(CC)n2)C1 ZINC000969867628 732462332 /nfs/dbraw/zinc/46/23/32/732462332.db2.gz DEHPUBCQROGHFB-ZFWWWQNUSA-N 1 1 345.447 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2noc(CC)n2)C1 ZINC000969867628 732462336 /nfs/dbraw/zinc/46/23/36/732462336.db2.gz DEHPUBCQROGHFB-ZFWWWQNUSA-N 1 1 345.447 0.666 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC000969944306 732545672 /nfs/dbraw/zinc/54/56/72/732545672.db2.gz MJYHQYDOVJGHTF-ZFWWWQNUSA-N 1 1 330.432 0.918 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ncnn1C ZINC001025091000 738632681 /nfs/dbraw/zinc/63/26/81/738632681.db2.gz WZQQJMJLVYATPT-KFWWJZLASA-N 1 1 333.436 0.877 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(=O)n(CCC)n3)C2)C1 ZINC001041825890 782281848 /nfs/dbraw/zinc/28/18/48/782281848.db2.gz YBURLUVNNGINHO-GOSISDBHSA-N 1 1 328.416 0.825 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC001041828232 782285756 /nfs/dbraw/zinc/28/57/56/782285756.db2.gz WNZKIWPFAFMPNR-KRWDZBQOSA-N 1 1 330.388 0.869 20 30 ECEDMO CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)C[N@@H+](C)C1CCC1 ZINC001125319613 732936961 /nfs/dbraw/zinc/93/69/61/732936961.db2.gz ATBZKKRZRMNOEA-AWEZNQCLSA-N 1 1 346.435 0.088 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)C[N@@H+](C)C1CCC1 ZINC001125322265 733005653 /nfs/dbraw/zinc/00/56/53/733005653.db2.gz XVEQYEFUUSQCJF-INIZCTEOSA-N 1 1 345.447 0.693 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnn(C)c2C(F)F)CC1 ZINC001098530797 733026973 /nfs/dbraw/zinc/02/69/73/733026973.db2.gz OAIGNDTZHBFEFS-UHFFFAOYSA-N 1 1 340.374 0.890 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCCN(C)C2=O)CC1 ZINC001098530957 733029227 /nfs/dbraw/zinc/02/92/27/733029227.db2.gz VZTUZUIDGGNJEQ-MRXNPFEDSA-N 1 1 335.448 0.163 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccncc1C#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125327293 733048270 /nfs/dbraw/zinc/04/82/70/733048270.db2.gz KUUQYTNNDBFGJH-DOTOQJQBSA-N 1 1 345.447 0.693 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC001041839111 782316702 /nfs/dbraw/zinc/31/67/02/782316702.db2.gz IAWUDCXJJPDJNU-SJLPKXTDSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)CCC(=O)NCCC)CC1 ZINC001098534859 733107199 /nfs/dbraw/zinc/10/71/99/733107199.db2.gz KMKFXLUWPFGZSS-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)Oc2ccccn2)CC1 ZINC001098535105 733113060 /nfs/dbraw/zinc/11/30/60/733113060.db2.gz SADUODKMMJMONV-OAHLLOKOSA-N 1 1 331.416 0.767 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CCN(CC(=O)NC)C3)C2)CC1 ZINC001041844773 782326378 /nfs/dbraw/zinc/32/63/78/782326378.db2.gz MUMPKSZWAOFLQN-LJQANCHMSA-N 1 1 346.475 0.002 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC001041846157 782327773 /nfs/dbraw/zinc/32/77/73/782327773.db2.gz XWJGILROVZJKFL-QGZVFWFLSA-N 1 1 346.435 0.268 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC000970206319 733200718 /nfs/dbraw/zinc/20/07/18/733200718.db2.gz VFOKDIMXQWZRSE-CMPLNLGQSA-N 1 1 330.396 0.456 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCC(F)F)C[C@H]32)nn1 ZINC001114942034 733232627 /nfs/dbraw/zinc/23/26/27/733232627.db2.gz INQBDSSMAVCRIS-YABSGUDNSA-N 1 1 341.362 0.406 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCN(C)C3=O)C2)cc1 ZINC000970258893 733266864 /nfs/dbraw/zinc/26/68/64/733266864.db2.gz CNDWKQAKXCWTPY-GUYCJALGSA-N 1 1 325.412 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cnc(C)n3C)C2)C1=O ZINC000970332179 733357746 /nfs/dbraw/zinc/35/77/46/733357746.db2.gz REZUQLGZZHZWMG-IUODEOHRSA-N 1 1 345.447 0.566 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC001041855145 782344099 /nfs/dbraw/zinc/34/40/99/782344099.db2.gz GMEMSMMUIARXPA-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCCNC3=O)C2)c1 ZINC000970399525 733470495 /nfs/dbraw/zinc/47/04/95/733470495.db2.gz QNSLEEJQDJXUGV-MLGOLLRUSA-N 1 1 326.400 0.392 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1ncccc1C#N ZINC001104268918 733535172 /nfs/dbraw/zinc/53/51/72/733535172.db2.gz VSAKYJCJSOOPLS-UMVBOHGHSA-N 1 1 331.420 0.837 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1ncccc1C#N ZINC001104268918 733535173 /nfs/dbraw/zinc/53/51/73/733535173.db2.gz VSAKYJCJSOOPLS-UMVBOHGHSA-N 1 1 331.420 0.837 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1ccncc1C#N ZINC001104269738 733537139 /nfs/dbraw/zinc/53/71/39/733537139.db2.gz FCEKPEIBHZFQQA-WOSRLPQWSA-N 1 1 331.420 0.258 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1ccncc1C#N ZINC001104269738 733537141 /nfs/dbraw/zinc/53/71/41/733537141.db2.gz FCEKPEIBHZFQQA-WOSRLPQWSA-N 1 1 331.420 0.258 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000970448477 733545957 /nfs/dbraw/zinc/54/59/57/733545957.db2.gz ZCTUKZYUDOSLEJ-MAZHCROVSA-N 1 1 335.448 0.635 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC001078132952 782351682 /nfs/dbraw/zinc/35/16/82/782351682.db2.gz SAGHRTAAWZZNFI-HUUCEWRRSA-N 1 1 330.384 0.185 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC001078132952 782351689 /nfs/dbraw/zinc/35/16/89/782351689.db2.gz SAGHRTAAWZZNFI-HUUCEWRRSA-N 1 1 330.384 0.185 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2nonc2C)C1 ZINC000970511094 733632584 /nfs/dbraw/zinc/63/25/84/733632584.db2.gz FIJSOQDVOYRVLH-CYBMUJFWSA-N 1 1 341.371 0.789 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)nc1 ZINC000970518171 733636063 /nfs/dbraw/zinc/63/60/63/733636063.db2.gz IODGJCGAVGIXFG-WCQYABFASA-N 1 1 325.376 0.152 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC000970544445 733661733 /nfs/dbraw/zinc/66/17/33/733661733.db2.gz MSOUBSXYOARSLS-SWLSCSKDSA-N 1 1 346.435 0.135 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC001125391150 733679486 /nfs/dbraw/zinc/67/94/86/733679486.db2.gz UXCKOEIFVINVSL-CQSZACIVSA-N 1 1 329.335 0.571 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3nocc3C)C2)C1=O ZINC000970703944 733848816 /nfs/dbraw/zinc/84/88/16/733848816.db2.gz AEEMEWKMYUCMKP-GXTWGEPZSA-N 1 1 332.404 0.820 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970759498 733919236 /nfs/dbraw/zinc/91/92/36/733919236.db2.gz GXONUBDECSKPHO-BZNIZROVSA-N 1 1 344.390 0.912 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC000970764083 733926423 /nfs/dbraw/zinc/92/64/23/733926423.db2.gz QMPJMNZCFCSRFS-GUYCJALGSA-N 1 1 340.427 0.734 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC000970839841 734005401 /nfs/dbraw/zinc/00/54/01/734005401.db2.gz FBARYFZDNGUNIF-ZDUSSCGKSA-N 1 1 326.404 0.815 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)C[C@@H](NC(=O)C(N)=O)c1ccccc1O2 ZINC001098544338 734089186 /nfs/dbraw/zinc/08/91/86/734089186.db2.gz KMBAFAVWTCYBGJ-KDOFPFPSSA-N 1 1 327.384 0.580 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)C[C@H](NC(=O)C(N)=O)c1ccccc1O2 ZINC001098544366 734093631 /nfs/dbraw/zinc/09/36/31/734093631.db2.gz KPEOEZMSEVNFDH-KBXCAEBGSA-N 1 1 327.384 0.580 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044952 734205916 /nfs/dbraw/zinc/20/59/16/734205916.db2.gz KPVAJMQYFCLJBH-CQSZACIVSA-N 1 1 343.366 0.417 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cccn3C)C2)C1=O ZINC000971090365 734250221 /nfs/dbraw/zinc/25/02/21/734250221.db2.gz DBWJDORGVCQGLY-ZBFHGGJFSA-N 1 1 330.432 0.958 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(c2ccncc2C#N)CCO1 ZINC001104318116 734276912 /nfs/dbraw/zinc/27/69/12/734276912.db2.gz BORZMQMNMGJCEM-HNNXBMFYSA-N 1 1 331.420 0.615 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC000971117144 734279967 /nfs/dbraw/zinc/27/99/67/734279967.db2.gz NTXYKEXCECXUHW-HOCLYGCPSA-N 1 1 345.447 0.905 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000971117144 734279971 /nfs/dbraw/zinc/27/99/71/734279971.db2.gz NTXYKEXCECXUHW-HOCLYGCPSA-N 1 1 345.447 0.905 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000971117144 734279972 /nfs/dbraw/zinc/27/99/72/734279972.db2.gz NTXYKEXCECXUHW-HOCLYGCPSA-N 1 1 345.447 0.905 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(c2ncccc2C#N)CCO1 ZINC001104318631 734284187 /nfs/dbraw/zinc/28/41/87/734284187.db2.gz OODFCSXJHGRLJZ-OAHLLOKOSA-N 1 1 340.387 0.480 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(c3cnc(C#N)cn3)CCO2)C1 ZINC001104322057 734298441 /nfs/dbraw/zinc/29/84/41/734298441.db2.gz UUAVGJHWVQEDMY-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(c3cncc(C#N)n3)CCO2)C1 ZINC001104322262 734299826 /nfs/dbraw/zinc/29/98/26/734299826.db2.gz ZDAWCHUEFNIJRC-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cncnc3C)C2)C1=O ZINC000971138131 734309644 /nfs/dbraw/zinc/30/96/44/734309644.db2.gz QIYKLCNLUHERMS-GDBMZVCRSA-N 1 1 343.431 0.718 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ncoc3C)C2)C1=O ZINC000971174065 734337026 /nfs/dbraw/zinc/33/70/26/734337026.db2.gz QSPPYZNSKKEZQK-ZIAGYGMSSA-N 1 1 332.404 0.916 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cc(C)on3)C2)C1=O ZINC000971228490 734372520 /nfs/dbraw/zinc/37/25/20/734372520.db2.gz FBAYJDUUQVGQMS-HZPDHXFCSA-N 1 1 346.431 0.845 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC000971276730 734416072 /nfs/dbraw/zinc/41/60/72/734416072.db2.gz GZXQSVFZGCLGLE-ZFWWWQNUSA-N 1 1 344.415 0.720 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2ccncc2C#N)CCO1 ZINC001104349850 734522844 /nfs/dbraw/zinc/52/28/44/734522844.db2.gz MHKLATYANZFLNF-ZBFHGGJFSA-N 1 1 343.431 0.759 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 ZINC001104350284 734525519 /nfs/dbraw/zinc/52/55/19/734525519.db2.gz SPMZGOUTDQVVJQ-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H](C)COC)C[C@@H]32)nn1 ZINC001083217542 734562090 /nfs/dbraw/zinc/56/20/90/734562090.db2.gz DGRLTLQEMLDERP-AEGPPILISA-N 1 1 335.408 0.024 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H](C)COC)C[C@@H]32)nn1 ZINC001083217542 734562094 /nfs/dbraw/zinc/56/20/94/734562094.db2.gz DGRLTLQEMLDERP-AEGPPILISA-N 1 1 335.408 0.024 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078174300 782428072 /nfs/dbraw/zinc/42/80/72/782428072.db2.gz HWJCDDSDXBICSW-CGTJXYLNSA-N 1 1 345.418 0.290 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078174496 782428357 /nfs/dbraw/zinc/42/83/57/782428357.db2.gz NDPNYBYPFRZVHK-GVDBMIGSSA-N 1 1 328.416 0.171 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@@H+]2CC(N)=O)[nH]1 ZINC001025222891 738833941 /nfs/dbraw/zinc/83/39/41/738833941.db2.gz XOPFUBJSPYGMNR-LSDHHAIUSA-N 1 1 329.404 0.831 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CN=NC1=O ZINC001025224563 738835186 /nfs/dbraw/zinc/83/51/86/738835186.db2.gz RJIUOPWUYCBGIB-GJZGRUSLSA-N 1 1 331.420 0.853 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001098553304 734665830 /nfs/dbraw/zinc/66/58/30/734665830.db2.gz SEBMZYKRRFAMFS-UHFFFAOYSA-N 1 1 347.415 0.336 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545655 734739295 /nfs/dbraw/zinc/73/92/95/734739295.db2.gz WOVSHKUXBDIRIL-OAHLLOKOSA-N 1 1 325.376 0.278 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4n[nH]c(=O)n4c3)[C@H]2C1 ZINC001083221567 734820159 /nfs/dbraw/zinc/82/01/59/734820159.db2.gz INCSASHDXBFCCM-UONOGXRCSA-N 1 1 343.387 0.536 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC000971688267 734949448 /nfs/dbraw/zinc/94/94/48/734949448.db2.gz VKNINEAARIZIEP-IAGOWNOFSA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC000971688267 734949450 /nfs/dbraw/zinc/94/94/50/734949450.db2.gz VKNINEAARIZIEP-IAGOWNOFSA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@@H](N(C)[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC000971688267 734949453 /nfs/dbraw/zinc/94/94/53/734949453.db2.gz VKNINEAARIZIEP-IAGOWNOFSA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC000971739176 735009168 /nfs/dbraw/zinc/00/91/68/735009168.db2.gz JIGDCOBAQMLDIK-ZIAGYGMSSA-N 1 1 345.403 0.115 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1 ZINC001098556012 735068202 /nfs/dbraw/zinc/06/82/02/735068202.db2.gz APVUFEATIVFXTD-UHFFFAOYSA-N 1 1 349.475 0.554 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973191123 738880247 /nfs/dbraw/zinc/88/02/47/738880247.db2.gz OMGHXQQBFJQWIM-YDHLFZDLSA-N 1 1 329.404 0.748 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001078199805 782480128 /nfs/dbraw/zinc/48/01/28/782480128.db2.gz XFZCBFQNQGQEID-IAGOWNOFSA-N 1 1 329.400 0.121 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001078199805 782480133 /nfs/dbraw/zinc/48/01/33/782480133.db2.gz XFZCBFQNQGQEID-IAGOWNOFSA-N 1 1 329.400 0.121 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2occc2C)C1 ZINC001111586615 735218419 /nfs/dbraw/zinc/21/84/19/735218419.db2.gz DMSBYEUTVHBKLC-KSSFIOAISA-N 1 1 329.400 0.922 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2occc2C)C1 ZINC001111586615 735218422 /nfs/dbraw/zinc/21/84/22/735218422.db2.gz DMSBYEUTVHBKLC-KSSFIOAISA-N 1 1 329.400 0.922 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000971861450 735268588 /nfs/dbraw/zinc/26/85/88/735268588.db2.gz NWQJWLGLHZULGH-NSHDSACASA-N 1 1 327.406 0.649 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cccc(NC(N)=O)c2)CC1 ZINC001098558792 735273634 /nfs/dbraw/zinc/27/36/34/735273634.db2.gz YZXYLUBEAKQIMC-UHFFFAOYSA-N 1 1 344.415 0.709 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 ZINC001098558780 735274614 /nfs/dbraw/zinc/27/46/14/735274614.db2.gz YKQFSVNEMDXICY-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)[C@H]2C1 ZINC001083241385 735643202 /nfs/dbraw/zinc/64/32/02/735643202.db2.gz CONQNXDGAPOEIR-OWCLPIDISA-N 1 1 335.448 0.733 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)n1 ZINC000972115369 735662130 /nfs/dbraw/zinc/66/21/30/735662130.db2.gz JWRCJRWQILZSPV-CQSZACIVSA-N 1 1 325.376 0.428 20 30 ECEDMO COCC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)CCOC)CC1 ZINC001098564053 735667509 /nfs/dbraw/zinc/66/75/09/735667509.db2.gz KUEQFRDBUBGSAY-INIZCTEOSA-N 1 1 340.464 0.594 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001041960219 782496421 /nfs/dbraw/zinc/49/64/21/782496421.db2.gz IUYBYXOEBGOCFX-AWEZNQCLSA-N 1 1 346.431 0.410 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001041960070 782497023 /nfs/dbraw/zinc/49/70/23/782497023.db2.gz GTTHGPPQZSYWJI-GJZGRUSLSA-N 1 1 335.448 0.517 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cnc(C)n3C)C2)C1=O ZINC000972177562 735758349 /nfs/dbraw/zinc/75/83/49/735758349.db2.gz QLNJGUWXEGEBRF-CABCVRRESA-N 1 1 345.447 0.662 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(OCC4CC4)cn3)[C@H]2C1 ZINC001083246409 735893511 /nfs/dbraw/zinc/89/35/11/735893511.db2.gz QAFXZJLMPLINJM-JKSUJKDBSA-N 1 1 344.415 0.977 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(OCC4CC4)cn3)[C@H]2C1 ZINC001083246409 735893514 /nfs/dbraw/zinc/89/35/14/735893514.db2.gz QAFXZJLMPLINJM-JKSUJKDBSA-N 1 1 344.415 0.977 20 30 ECEDMO Cc1cc(C)n(CC[N@@H+]2CCO[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000972299232 735910888 /nfs/dbraw/zinc/91/08/88/735910888.db2.gz ZGJIMBOLQLJXMD-KSSFIOAISA-N 1 1 345.447 0.963 20 30 ECEDMO Cc1cc(C)n(CC[N@H+]2CCO[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000972299232 735910890 /nfs/dbraw/zinc/91/08/90/735910890.db2.gz ZGJIMBOLQLJXMD-KSSFIOAISA-N 1 1 345.447 0.963 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001058909123 751365461 /nfs/dbraw/zinc/36/54/61/751365461.db2.gz WSKLTKAUXIVHBC-GXTWGEPZSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001058909123 751365467 /nfs/dbraw/zinc/36/54/67/751365467.db2.gz WSKLTKAUXIVHBC-GXTWGEPZSA-N 1 1 330.392 0.082 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(C2)CN(CC#N)CCO3)C1 ZINC000972406724 736134156 /nfs/dbraw/zinc/13/41/56/736134156.db2.gz AWGKVCPZYVIUMK-FUHWJXTLSA-N 1 1 334.464 0.791 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972406197 736139633 /nfs/dbraw/zinc/13/96/33/736139633.db2.gz CUSCVUQZNWZMAG-KRWDZBQOSA-N 1 1 342.403 0.846 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OCC)n[nH]3)C2)C1 ZINC000972423306 736169498 /nfs/dbraw/zinc/16/94/98/736169498.db2.gz BUMWFLVWUISPGV-KRWDZBQOSA-N 1 1 332.404 0.749 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OCC)n[nH]3)C2)C1 ZINC000972423306 736169502 /nfs/dbraw/zinc/16/95/02/736169502.db2.gz BUMWFLVWUISPGV-KRWDZBQOSA-N 1 1 332.404 0.749 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC000972423423 736170344 /nfs/dbraw/zinc/17/03/44/736170344.db2.gz VFKUWQLNFKXSIO-QGZVFWFLSA-N 1 1 332.404 0.273 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC000972423423 736170345 /nfs/dbraw/zinc/17/03/45/736170345.db2.gz VFKUWQLNFKXSIO-QGZVFWFLSA-N 1 1 332.404 0.273 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972424170 736171031 /nfs/dbraw/zinc/17/10/31/736171031.db2.gz GTOTYJYZTYLAQX-QAPCUYQASA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972424170 736171032 /nfs/dbraw/zinc/17/10/32/736171032.db2.gz GTOTYJYZTYLAQX-QAPCUYQASA-N 1 1 333.432 0.181 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972432082 736182708 /nfs/dbraw/zinc/18/27/08/736182708.db2.gz XZEGKTGLWORXFX-MSOLQXFVSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972432082 736182712 /nfs/dbraw/zinc/18/27/12/736182712.db2.gz XZEGKTGLWORXFX-MSOLQXFVSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)CNC(=O)C2CCC2)CC1 ZINC001098571816 736195073 /nfs/dbraw/zinc/19/50/73/736195073.db2.gz XIEIZFWSMLIRCD-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 ZINC000972459552 736253839 /nfs/dbraw/zinc/25/38/39/736253839.db2.gz XDQWOHIKUMKEJR-CRAIPNDOSA-N 1 1 335.448 0.925 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 ZINC000972459552 736253840 /nfs/dbraw/zinc/25/38/40/736253840.db2.gz XDQWOHIKUMKEJR-CRAIPNDOSA-N 1 1 335.448 0.925 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 ZINC000972461348 736256922 /nfs/dbraw/zinc/25/69/22/736256922.db2.gz QRFSMBZIDDUJNM-QGZVFWFLSA-N 1 1 334.420 0.922 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480567 736306733 /nfs/dbraw/zinc/30/67/33/736306733.db2.gz OWUJRMGILHKQGR-FUHWJXTLSA-N 1 1 348.447 0.987 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480567 736306737 /nfs/dbraw/zinc/30/67/37/736306737.db2.gz OWUJRMGILHKQGR-FUHWJXTLSA-N 1 1 348.447 0.987 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3CCC)C2)nc1 ZINC001022992242 736368922 /nfs/dbraw/zinc/36/89/22/736368922.db2.gz FILADLIFISQOAV-OKILXGFUSA-N 1 1 339.403 0.510 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@H](C)O)CCO3)cc1 ZINC000972491958 736374100 /nfs/dbraw/zinc/37/41/00/736374100.db2.gz GLQXZFACUHSHIE-KXBFYZLASA-N 1 1 328.412 0.966 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@H](C)O)CCO3)cc1 ZINC000972491958 736374101 /nfs/dbraw/zinc/37/41/01/736374101.db2.gz GLQXZFACUHSHIE-KXBFYZLASA-N 1 1 328.412 0.966 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972493864 736389658 /nfs/dbraw/zinc/38/96/58/736389658.db2.gz KKCFVQNTDUJBBQ-QGZVFWFLSA-N 1 1 342.403 0.617 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972493864 736389663 /nfs/dbraw/zinc/38/96/63/736389663.db2.gz KKCFVQNTDUJBBQ-QGZVFWFLSA-N 1 1 342.403 0.617 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cncn3C)C2)nn1 ZINC000972499680 736417014 /nfs/dbraw/zinc/41/70/14/736417014.db2.gz FDRAZWGJUMDZQB-CYBMUJFWSA-N 1 1 329.408 0.544 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cncn3C)C2)nn1 ZINC000972499680 736417017 /nfs/dbraw/zinc/41/70/17/736417017.db2.gz FDRAZWGJUMDZQB-CYBMUJFWSA-N 1 1 329.408 0.544 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccnn3C)C2)nn1 ZINC000972519357 736538206 /nfs/dbraw/zinc/53/82/06/736538206.db2.gz YMTHJKIEQCDBLU-CQSZACIVSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccnn3C)C2)nn1 ZINC000972519357 736538208 /nfs/dbraw/zinc/53/82/08/736538208.db2.gz YMTHJKIEQCDBLU-CQSZACIVSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523943 736568452 /nfs/dbraw/zinc/56/84/52/736568452.db2.gz MPFOILAGWAMLQC-GOSISDBHSA-N 1 1 347.415 0.800 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001023255020 736624763 /nfs/dbraw/zinc/62/47/63/736624763.db2.gz NGZLEMUNZOTMCO-ZBFHGGJFSA-N 1 1 345.447 0.947 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)c[nH]1 ZINC001023314174 736671899 /nfs/dbraw/zinc/67/18/99/736671899.db2.gz HWAYOCGPWUIELR-CYBMUJFWSA-N 1 1 329.404 0.560 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)c[nH]1 ZINC001023314417 736674873 /nfs/dbraw/zinc/67/48/73/736674873.db2.gz LPHJLXPUDOMCQK-LBPRGKRZSA-N 1 1 329.404 0.607 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001023320208 736680509 /nfs/dbraw/zinc/68/05/09/736680509.db2.gz VUUJRGUTHNEXGE-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972550056 736689816 /nfs/dbraw/zinc/68/98/16/736689816.db2.gz UWRWOSYCXVQGRN-QGZVFWFLSA-N 1 1 333.388 0.872 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001023427970 736822002 /nfs/dbraw/zinc/82/20/02/736822002.db2.gz XVIUEXSEIZYBRD-HOTGVXAUSA-N 1 1 327.432 0.907 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023449542 736847873 /nfs/dbraw/zinc/84/78/73/736847873.db2.gz RVWCWNIVPCKICN-ZIAGYGMSSA-N 1 1 331.420 0.398 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972572439 736886443 /nfs/dbraw/zinc/88/64/43/736886443.db2.gz JVYMGJRZGXJABL-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972572439 736886447 /nfs/dbraw/zinc/88/64/47/736886447.db2.gz JVYMGJRZGXJABL-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cn(C)nc3C)C2)C1 ZINC000972580963 736932933 /nfs/dbraw/zinc/93/29/33/736932933.db2.gz DBSXGNRALYZIAN-LJQANCHMSA-N 1 1 344.459 0.988 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cn(C)nc3C)C2)C1 ZINC000972580963 736932936 /nfs/dbraw/zinc/93/29/36/736932936.db2.gz DBSXGNRALYZIAN-LJQANCHMSA-N 1 1 344.459 0.988 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@H](C)O)CCO3)nn1 ZINC000972589337 736997688 /nfs/dbraw/zinc/99/76/88/736997688.db2.gz HEGCINRQPRWDBK-YOEHRIQHSA-N 1 1 349.435 0.152 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@H](C)O)CCO3)nn1 ZINC000972589337 736997690 /nfs/dbraw/zinc/99/76/90/736997690.db2.gz HEGCINRQPRWDBK-YOEHRIQHSA-N 1 1 349.435 0.152 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3n[nH]cc3F)C2)C1=O ZINC001023576289 737032743 /nfs/dbraw/zinc/03/27/43/737032743.db2.gz GVVLSBKBWAAKQM-TZMCWYRMSA-N 1 1 349.410 0.778 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC001023584176 737036425 /nfs/dbraw/zinc/03/64/25/737036425.db2.gz VUJMESGUQFHQLS-GDBMZVCRSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N(C)C)C2)c1 ZINC001023583473 737039798 /nfs/dbraw/zinc/03/97/98/737039798.db2.gz IFSKZHZQTYBPOF-OAHLLOKOSA-N 1 1 328.416 0.593 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+](CCn3cncn3)C2)c1 ZINC001023583351 737039945 /nfs/dbraw/zinc/03/99/45/737039945.db2.gz FMSOHQJKSIWVKA-INIZCTEOSA-N 1 1 338.415 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001023588961 737042458 /nfs/dbraw/zinc/04/24/58/737042458.db2.gz PJWPMLHAQWMDBW-AWEZNQCLSA-N 1 1 330.432 0.598 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCS(C)(=O)=O)C1 ZINC001023599633 737058948 /nfs/dbraw/zinc/05/89/48/737058948.db2.gz PGZCJUIFCBXGIH-KFWWJZLASA-N 1 1 344.477 0.450 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCS(C)(=O)=O)C1 ZINC001023599633 737058951 /nfs/dbraw/zinc/05/89/51/737058951.db2.gz PGZCJUIFCBXGIH-KFWWJZLASA-N 1 1 344.477 0.450 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC000972615859 737100166 /nfs/dbraw/zinc/10/01/66/737100166.db2.gz TYTLBVYQAXAJNI-QGZVFWFLSA-N 1 1 332.404 0.607 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC000972615859 737100168 /nfs/dbraw/zinc/10/01/68/737100168.db2.gz TYTLBVYQAXAJNI-QGZVFWFLSA-N 1 1 332.404 0.607 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972618446 737110245 /nfs/dbraw/zinc/11/02/45/737110245.db2.gz YXAAGZWSKSWMRJ-APWZRJJASA-N 1 1 344.459 0.925 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972618446 737110248 /nfs/dbraw/zinc/11/02/48/737110248.db2.gz YXAAGZWSKSWMRJ-APWZRJJASA-N 1 1 344.459 0.925 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001023643684 737132586 /nfs/dbraw/zinc/13/25/86/737132586.db2.gz DPHXHTDIEYHELE-KBPBESRZSA-N 1 1 329.466 0.425 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3ccncn3)C2)C1=O ZINC001023658839 737157992 /nfs/dbraw/zinc/15/79/92/737157992.db2.gz VROLZOOHHJHTOK-GDBMZVCRSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000972633288 737172733 /nfs/dbraw/zinc/17/27/33/737172733.db2.gz BCPCYCKXJYXYBO-YJBOKZPZSA-N 1 1 348.447 0.246 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000972633288 737172734 /nfs/dbraw/zinc/17/27/34/737172734.db2.gz BCPCYCKXJYXYBO-YJBOKZPZSA-N 1 1 348.447 0.246 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2O)CC1 ZINC001078228101 782525334 /nfs/dbraw/zinc/52/53/34/782525334.db2.gz CTFCUKBBJKCKSJ-RTBURBONSA-N 1 1 341.455 0.693 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972641878 737203948 /nfs/dbraw/zinc/20/39/48/737203948.db2.gz ACWNZAQJLDFVFR-FUHWJXTLSA-N 1 1 335.448 0.877 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)nc1 ZINC001023708984 737227249 /nfs/dbraw/zinc/22/72/49/737227249.db2.gz NWGXVCVZZQUILS-ZFWWWQNUSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972655011 737262230 /nfs/dbraw/zinc/26/22/30/737262230.db2.gz ZUFWDLADBOCFSE-LPHOPBHVSA-N 1 1 347.459 0.762 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972655011 737262232 /nfs/dbraw/zinc/26/22/32/737262232.db2.gz ZUFWDLADBOCFSE-LPHOPBHVSA-N 1 1 347.459 0.762 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001067462545 737304947 /nfs/dbraw/zinc/30/49/47/737304947.db2.gz LLUGQQDAMWMYDL-MRXNPFEDSA-N 1 1 342.443 0.935 20 30 ECEDMO C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682550 737371168 /nfs/dbraw/zinc/37/11/68/737371168.db2.gz GJDLUNOZIOXINI-SJLPKXTDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682550 737371170 /nfs/dbraw/zinc/37/11/70/737371170.db2.gz GJDLUNOZIOXINI-SJLPKXTDSA-N 1 1 337.464 0.587 20 30 ECEDMO Cn1c(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)nnc1C1CCC1 ZINC001125776857 737591270 /nfs/dbraw/zinc/59/12/70/737591270.db2.gz ZTEWVVWICHVVNT-UHFFFAOYSA-N 1 1 327.392 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCCC3)C2)cn1 ZINC000972756722 737598003 /nfs/dbraw/zinc/59/80/03/737598003.db2.gz OGLRWEBHWCWBEU-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCCC3)C2)cn1 ZINC000972756722 737598006 /nfs/dbraw/zinc/59/80/06/737598006.db2.gz OGLRWEBHWCWBEU-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972792620 737683058 /nfs/dbraw/zinc/68/30/58/737683058.db2.gz BZOCPHFSRJFAGX-INIZCTEOSA-N 1 1 338.415 0.551 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972792620 737683061 /nfs/dbraw/zinc/68/30/61/737683061.db2.gz BZOCPHFSRJFAGX-INIZCTEOSA-N 1 1 338.415 0.551 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)c1 ZINC001024147149 737758548 /nfs/dbraw/zinc/75/85/48/737758548.db2.gz DLFNBDIOMBFRML-AWEZNQCLSA-N 1 1 339.403 0.228 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cn[nH]c2)C1=O ZINC001024341924 737909774 /nfs/dbraw/zinc/90/97/74/737909774.db2.gz NJLSNKJPDWBKDW-GJZGRUSLSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cn[nH]c2)C1=O ZINC001024341924 737909777 /nfs/dbraw/zinc/90/97/77/737909777.db2.gz NJLSNKJPDWBKDW-GJZGRUSLSA-N 1 1 331.420 0.781 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N(C)C ZINC001024488105 738015546 /nfs/dbraw/zinc/01/55/46/738015546.db2.gz VOGGDRNDEGGDJO-CVEARBPZSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC001024488105 738015548 /nfs/dbraw/zinc/01/55/48/738015548.db2.gz VOGGDRNDEGGDJO-CVEARBPZSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1cnon1 ZINC001024487725 738015586 /nfs/dbraw/zinc/01/55/86/738015586.db2.gz RVYQXLLAJQZNBG-CVEARBPZSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1cnon1 ZINC001024487725 738015589 /nfs/dbraw/zinc/01/55/89/738015589.db2.gz RVYQXLLAJQZNBG-CVEARBPZSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001024511295 738041821 /nfs/dbraw/zinc/04/18/21/738041821.db2.gz FFWSFWUBBBBWME-ZDUSSCGKSA-N 1 1 327.388 0.955 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001024511295 738041824 /nfs/dbraw/zinc/04/18/24/738041824.db2.gz FFWSFWUBBBBWME-ZDUSSCGKSA-N 1 1 327.388 0.955 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)c1 ZINC001024529565 738064549 /nfs/dbraw/zinc/06/45/49/738064549.db2.gz VHNTWZAQUNUHRK-MRXNPFEDSA-N 1 1 331.416 0.712 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001024540529 738080432 /nfs/dbraw/zinc/08/04/32/738080432.db2.gz GLRQSYGGLPVRKC-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCOCC3)C(C)(C)[C@H]21 ZINC001087282149 738097513 /nfs/dbraw/zinc/09/75/13/738097513.db2.gz SHIRNQOYCUWDAK-NXHRZFHOSA-N 1 1 333.476 0.947 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCOCC3=O)C(C)(C)[C@@H]21 ZINC001087288718 738121907 /nfs/dbraw/zinc/12/19/07/738121907.db2.gz AVUGUEBZMRTIAM-ZTFGCOKTSA-N 1 1 347.459 0.474 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1COCCN1CC(F)F ZINC001024575776 738122586 /nfs/dbraw/zinc/12/25/86/738122586.db2.gz NKXACCHEGMKJBQ-HUUCEWRRSA-N 1 1 343.418 0.946 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001024576022 738122616 /nfs/dbraw/zinc/12/26/16/738122616.db2.gz ORSPDCIQQSENFZ-AWEZNQCLSA-N 1 1 339.403 0.665 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2csnn2)C1=O ZINC001024578625 738125593 /nfs/dbraw/zinc/12/55/93/738125593.db2.gz YEZNASRAMVTSHX-OCCSQVGLSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2csnn2)C1=O ZINC001024578625 738125595 /nfs/dbraw/zinc/12/55/95/738125595.db2.gz YEZNASRAMVTSHX-OCCSQVGLSA-N 1 1 349.460 0.909 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(CCO)CCNc1ncc(C#N)cc1F ZINC001111492618 738127215 /nfs/dbraw/zinc/12/72/15/738127215.db2.gz ICDBRNXAAPVTEB-UHFFFAOYSA-N 1 1 337.399 0.667 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C(C)(C)[C@H]21 ZINC001087293162 738135579 /nfs/dbraw/zinc/13/55/79/738135579.db2.gz ZHBBMAARTCLXJP-OLMNPRSZSA-N 1 1 348.491 0.552 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001087293754 738136973 /nfs/dbraw/zinc/13/69/73/738136973.db2.gz JOAXQQFFMYGBGQ-UHOFOFEASA-N 1 1 346.431 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3ccc4nnnn4c3)C(C)(C)[C@H]21 ZINC001087295506 738141822 /nfs/dbraw/zinc/14/18/22/738141822.db2.gz KHXPXCDYCADWKX-KBMXLJTQSA-N 1 1 338.415 0.976 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C(N)=O)C(C)(C)[C@@H]21 ZINC001087301130 738167175 /nfs/dbraw/zinc/16/71/75/738167175.db2.gz XEMYVLDCTQKYQS-GMTAPVOTSA-N 1 1 344.253 0.986 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C(N)=O)C(C)(C)[C@@H]21 ZINC001087301130 738167176 /nfs/dbraw/zinc/16/71/76/738167176.db2.gz XEMYVLDCTQKYQS-GMTAPVOTSA-N 1 1 344.253 0.986 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cnnn4)c3)[C@H]2C1 ZINC001083271344 738243414 /nfs/dbraw/zinc/24/34/14/738243414.db2.gz DJOPVUUHNDWSHP-JKSUJKDBSA-N 1 1 340.387 0.374 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cnnn4)c3)[C@H]2C1 ZINC001083271344 738243416 /nfs/dbraw/zinc/24/34/16/738243416.db2.gz DJOPVUUHNDWSHP-JKSUJKDBSA-N 1 1 340.387 0.374 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C(C)(C)[C@@H]21 ZINC001087316882 738272911 /nfs/dbraw/zinc/27/29/11/738272911.db2.gz YWPLJNTUIFNADU-FVQBIDKESA-N 1 1 347.463 0.681 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1C(=O)CNC1=O ZINC001087318580 738284598 /nfs/dbraw/zinc/28/45/98/738284598.db2.gz ZRCIRQLWMVSNIH-UHOFOFEASA-N 1 1 346.431 0.167 20 30 ECEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001024813370 738317404 /nfs/dbraw/zinc/31/74/04/738317404.db2.gz APTKHEFNGZRRSG-ZDUSSCGKSA-N 1 1 334.424 0.137 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)[C@H]2C1 ZINC001083273542 738368360 /nfs/dbraw/zinc/36/83/60/738368360.db2.gz XLCZIJYQSOAVQZ-JKSUJKDBSA-N 1 1 344.415 0.276 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)[C@H]2C1 ZINC001083273542 738368362 /nfs/dbraw/zinc/36/83/62/738368362.db2.gz XLCZIJYQSOAVQZ-JKSUJKDBSA-N 1 1 344.415 0.276 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2ccoc2)C1 ZINC000973208206 738914266 /nfs/dbraw/zinc/91/42/66/738914266.db2.gz MZIJLBWNXCAOTB-JYJNAYRXSA-N 1 1 329.400 0.683 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2ccoc2)C1 ZINC000973208206 738914267 /nfs/dbraw/zinc/91/42/67/738914267.db2.gz MZIJLBWNXCAOTB-JYJNAYRXSA-N 1 1 329.400 0.683 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1ncn(C)c1=O ZINC001025251011 738934275 /nfs/dbraw/zinc/93/42/75/738934275.db2.gz GSTYEYNUOVYXST-JKSUJKDBSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000973230517 738946260 /nfs/dbraw/zinc/94/62/60/738946260.db2.gz RESZTFHDRDHNRX-PEDHHIEDSA-N 1 1 339.386 0.749 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000973230517 738946261 /nfs/dbraw/zinc/94/62/61/738946261.db2.gz RESZTFHDRDHNRX-PEDHHIEDSA-N 1 1 339.386 0.749 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001025276635 738997341 /nfs/dbraw/zinc/99/73/41/738997341.db2.gz JWBPOCDFQNASGG-CVEARBPZSA-N 1 1 345.443 0.908 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O ZINC001025286355 739006160 /nfs/dbraw/zinc/00/61/60/739006160.db2.gz JGVRAGRBYNEOHA-CABCVRRESA-N 1 1 346.431 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001025298088 739018805 /nfs/dbraw/zinc/01/88/05/739018805.db2.gz UCKBXTAINMFAER-CABCVRRESA-N 1 1 346.431 0.359 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000973290281 739040460 /nfs/dbraw/zinc/04/04/60/739040460.db2.gz XINBATXDOVYKJQ-UMVBOHGHSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@](C)(NC(C)=O)C3CC3)C2)nn1 ZINC001105359427 751417905 /nfs/dbraw/zinc/41/79/05/751417905.db2.gz HEKWYSVWCQJXFU-KRWDZBQOSA-N 1 1 346.435 0.242 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000973410362 739223391 /nfs/dbraw/zinc/22/33/91/739223391.db2.gz HGVGCFQRVWIQJQ-KKUMJFAQSA-N 1 1 343.431 0.501 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000973410362 739223397 /nfs/dbraw/zinc/22/33/97/739223397.db2.gz HGVGCFQRVWIQJQ-KKUMJFAQSA-N 1 1 343.431 0.501 20 30 ECEDMO C[C@H](CNc1nccnc1C#N)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104622671 739254513 /nfs/dbraw/zinc/25/45/13/739254513.db2.gz JULVFQMNDLJXBW-CYBMUJFWSA-N 1 1 332.408 0.329 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000973432576 739274150 /nfs/dbraw/zinc/27/41/50/739274150.db2.gz JRQUKPCLENORBJ-QCODTGAPSA-N 1 1 335.448 0.825 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001025392609 739362013 /nfs/dbraw/zinc/36/20/13/739362013.db2.gz YPDUUJCWVQBDFP-STQMWFEESA-N 1 1 331.420 0.805 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnccn3)C2)nn1 ZINC001098600422 739464584 /nfs/dbraw/zinc/46/45/84/739464584.db2.gz AMPKUNJBOZZKBJ-AWEZNQCLSA-N 1 1 327.392 0.821 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccnc(C#N)n1 ZINC001104685243 739475279 /nfs/dbraw/zinc/47/52/79/739475279.db2.gz MUJWUVLMADZHOB-KGLIPLIRSA-N 1 1 330.436 0.902 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001028197278 751455828 /nfs/dbraw/zinc/45/58/28/751455828.db2.gz DEGBWNRWRRDBGD-ZOBUZTSGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001028197278 751455831 /nfs/dbraw/zinc/45/58/31/751455831.db2.gz DEGBWNRWRRDBGD-ZOBUZTSGSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001104728393 739554766 /nfs/dbraw/zinc/55/47/66/739554766.db2.gz ORPDBALEHULGMB-NSHDSACASA-N 1 1 343.391 0.392 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C2)C1 ZINC000982012141 751461029 /nfs/dbraw/zinc/46/10/29/751461029.db2.gz QDMHAJQHKNNECB-UHFFFAOYSA-N 1 1 342.443 0.694 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3nnnn3c2)C1 ZINC001025491688 739655121 /nfs/dbraw/zinc/65/51/21/739655121.db2.gz XWFLPKCTBASZOZ-UONOGXRCSA-N 1 1 326.404 0.978 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2O)CC1 ZINC001025490575 739656752 /nfs/dbraw/zinc/65/67/52/739656752.db2.gz DTLUCXKNZGWVNQ-IXDOHACOSA-N 1 1 349.475 0.905 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001025501303 739661321 /nfs/dbraw/zinc/66/13/21/739661321.db2.gz CJMVISPXINJDNJ-LSDHHAIUSA-N 1 1 330.432 0.861 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001025533251 739695245 /nfs/dbraw/zinc/69/52/45/739695245.db2.gz IBGBOIDUVBUXOW-MNOVXSKESA-N 1 1 341.437 0.073 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001025591528 739755802 /nfs/dbraw/zinc/75/58/02/739755802.db2.gz DEPSTTVQOGCHDX-GHMZBOCLSA-N 1 1 336.392 0.913 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025596444 739760780 /nfs/dbraw/zinc/76/07/80/739760780.db2.gz CLZLKIVIPHHPQO-UONOGXRCSA-N 1 1 344.415 0.409 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC(=O)NC)C2)cn1 ZINC001025600466 739762019 /nfs/dbraw/zinc/76/20/19/739762019.db2.gz MNJGROCKXGOYNB-ZFWWWQNUSA-N 1 1 328.416 0.639 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025613862 739776441 /nfs/dbraw/zinc/77/64/41/739776441.db2.gz CCAOKHDIUBUSAI-QWHCGFSZSA-N 1 1 329.404 0.429 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)C1 ZINC001058656432 739831863 /nfs/dbraw/zinc/83/18/63/739831863.db2.gz CTVQCDXZMMHIRJ-HUUCEWRRSA-N 1 1 338.452 0.061 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC)C[C@H]1C(F)(F)F ZINC001112035528 740054303 /nfs/dbraw/zinc/05/43/03/740054303.db2.gz GPGOGAAHNUXHLU-QJPTWQEYSA-N 1 1 333.354 0.903 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)CSC)C2)nn1 ZINC001098604500 740059016 /nfs/dbraw/zinc/05/90/16/740059016.db2.gz QNLBBNKCMFYPPT-AWEZNQCLSA-N 1 1 339.465 0.707 20 30 ECEDMO CC(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112036977 740144673 /nfs/dbraw/zinc/14/46/73/740144673.db2.gz ZGFKORBYJULKTR-GHMZBOCLSA-N 1 1 334.342 0.651 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001038345997 740307989 /nfs/dbraw/zinc/30/79/89/740307989.db2.gz SYHBRKQOBNTOJQ-CQSZACIVSA-N 1 1 344.415 0.627 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001038345997 740307992 /nfs/dbraw/zinc/30/79/92/740307992.db2.gz SYHBRKQOBNTOJQ-CQSZACIVSA-N 1 1 344.415 0.627 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)c1 ZINC001087389021 740317317 /nfs/dbraw/zinc/31/73/17/740317317.db2.gz CWYLYCAJXOVQLV-OWLYRPNTSA-N 1 1 325.412 0.838 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)nn1 ZINC000988099235 751531752 /nfs/dbraw/zinc/53/17/52/751531752.db2.gz UMBDNJLQYLOVOD-MCIONIFRSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)cn3)[C@H]2C1 ZINC001083289867 740359319 /nfs/dbraw/zinc/35/93/19/740359319.db2.gz SWHZSSTZEMKROF-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)cn3)[C@H]2C1 ZINC001083289867 740359323 /nfs/dbraw/zinc/35/93/23/740359323.db2.gz SWHZSSTZEMKROF-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2nccnc2C#N)C1 ZINC001104794677 740515720 /nfs/dbraw/zinc/51/57/20/740515720.db2.gz KUUMXPJPQVPHCL-UKRRQHHQSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2nccnc2C#N)C1 ZINC001104794677 740515723 /nfs/dbraw/zinc/51/57/23/740515723.db2.gz KUUMXPJPQVPHCL-UKRRQHHQSA-N 1 1 346.435 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccncc2F)C1 ZINC000973985551 740731547 /nfs/dbraw/zinc/73/15/47/740731547.db2.gz PRYLCTCGYMPPQB-ZENOOKHLSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccncc2F)C1 ZINC000973985551 740731551 /nfs/dbraw/zinc/73/15/51/740731551.db2.gz PRYLCTCGYMPPQB-ZENOOKHLSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cnc(C#N)cn1 ZINC001104862855 740754229 /nfs/dbraw/zinc/75/42/29/740754229.db2.gz QVTCMGFKSHIQMU-HIFRSBDPSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cnc(C#N)cn1 ZINC001104862855 740754232 /nfs/dbraw/zinc/75/42/32/740754232.db2.gz QVTCMGFKSHIQMU-HIFRSBDPSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC000974015864 740775939 /nfs/dbraw/zinc/77/59/39/740775939.db2.gz LWUHHDCXTSMTJW-LZWOXQAQSA-N 1 1 343.431 0.122 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC000974015864 740775942 /nfs/dbraw/zinc/77/59/42/740775942.db2.gz LWUHHDCXTSMTJW-LZWOXQAQSA-N 1 1 343.431 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC000974015864 740775945 /nfs/dbraw/zinc/77/59/45/740775945.db2.gz LWUHHDCXTSMTJW-LZWOXQAQSA-N 1 1 343.431 0.122 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC000974015864 740775947 /nfs/dbraw/zinc/77/59/47/740775947.db2.gz LWUHHDCXTSMTJW-LZWOXQAQSA-N 1 1 343.431 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC000974015864 740775948 /nfs/dbraw/zinc/77/59/48/740775948.db2.gz LWUHHDCXTSMTJW-LZWOXQAQSA-N 1 1 343.431 0.122 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cccn3)C2)nn1 ZINC001098611525 740889786 /nfs/dbraw/zinc/88/97/86/740889786.db2.gz KLSURZGTSXAPFA-OAHLLOKOSA-N 1 1 329.408 0.614 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc4nnn(C)c43)[C@H]2C1 ZINC001083294233 740968303 /nfs/dbraw/zinc/96/83/03/740968303.db2.gz SFVJFANLHWYYQM-JKSUJKDBSA-N 1 1 339.399 0.517 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc4nnn(C)c43)[C@H]2C1 ZINC001083294233 740968307 /nfs/dbraw/zinc/96/83/07/740968307.db2.gz SFVJFANLHWYYQM-JKSUJKDBSA-N 1 1 339.399 0.517 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nccs2)C1 ZINC000974265544 741197461 /nfs/dbraw/zinc/19/74/61/741197461.db2.gz NYGKPWDZCIUPBS-XQQFMLRXSA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nccs2)C1 ZINC000974265544 741197466 /nfs/dbraw/zinc/19/74/66/741197466.db2.gz NYGKPWDZCIUPBS-XQQFMLRXSA-N 1 1 332.429 0.618 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)[C@@H](C)C1 ZINC001105046064 741238456 /nfs/dbraw/zinc/23/84/56/741238456.db2.gz JXBJKOPAVOUVOV-UONOGXRCSA-N 1 1 330.436 0.759 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)nc1 ZINC000974316468 741301121 /nfs/dbraw/zinc/30/11/21/741301121.db2.gz QNNPIIMRSJSYDD-GASCZTMLSA-N 1 1 337.383 0.645 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000974344582 741358721 /nfs/dbraw/zinc/35/87/21/741358721.db2.gz BOLXVBLVIGOVTC-KKBVYLPWSA-N 1 1 340.427 0.638 20 30 ECEDMO COC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001105215440 741486498 /nfs/dbraw/zinc/48/64/98/741486498.db2.gz BKKUNNPHCYSLLL-LLVKDONJSA-N 1 1 343.391 0.299 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(OC)no3)C2)nn1 ZINC001105216310 741488506 /nfs/dbraw/zinc/48/85/06/741488506.db2.gz RIXQPFQLHVJYAU-UHFFFAOYSA-N 1 1 332.364 0.638 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CC)n3)C2)nn1 ZINC001105230269 741514517 /nfs/dbraw/zinc/51/45/17/741514517.db2.gz DIDITGYGPCMVBJ-UHFFFAOYSA-N 1 1 330.396 0.252 20 30 ECEDMO CCOCC[NH2+]Cc1cn(C2CN(C(=O)C#CC(C)(C)C)C2)nn1 ZINC001105235869 741528187 /nfs/dbraw/zinc/52/81/87/741528187.db2.gz XFGDQVWKYVLRNK-UHFFFAOYSA-N 1 1 333.436 0.837 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CCOC(C)C)nn2)C1 ZINC001105240555 741533367 /nfs/dbraw/zinc/53/33/67/741533367.db2.gz RMBQWZVWWUOHGS-AWEZNQCLSA-N 1 1 349.435 0.214 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3ccns3)C2)nn1 ZINC001105252408 741561744 /nfs/dbraw/zinc/56/17/44/741561744.db2.gz PFWHERVUJCTETA-UHFFFAOYSA-N 1 1 348.432 0.724 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc(C4CC4)nn3)C2)nn1 ZINC001105259677 741582152 /nfs/dbraw/zinc/58/21/52/741582152.db2.gz IACVVDNRXBRYTK-UHFFFAOYSA-N 1 1 342.407 0.106 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC000974405899 741585217 /nfs/dbraw/zinc/58/52/17/741585217.db2.gz YFLVYWWRTNXQFL-RRQGHBQHSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC000974405900 741585354 /nfs/dbraw/zinc/58/53/54/741585354.db2.gz YFLVYWWRTNXQFL-XYPHTWIQSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105259794 741586747 /nfs/dbraw/zinc/58/67/47/741586747.db2.gz MVEGPXBBQKBBBJ-INIZCTEOSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264625 741595991 /nfs/dbraw/zinc/59/59/91/741595991.db2.gz NZTLAJNPQVAFTP-HNNXBMFYSA-N 1 1 330.436 0.259 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)nn1 ZINC001105264292 741598811 /nfs/dbraw/zinc/59/88/11/741598811.db2.gz DHRKQMDMRQZOCI-ZIAGYGMSSA-N 1 1 327.392 0.464 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)COc3cc(C)on3)C2)nn1 ZINC001105264272 741598855 /nfs/dbraw/zinc/59/88/55/741598855.db2.gz CQWXTCUHFILCHL-UHFFFAOYSA-N 1 1 332.364 0.312 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N[C@@H](C)C3)C2)nn1 ZINC001105275715 741622067 /nfs/dbraw/zinc/62/20/67/741622067.db2.gz ZAHBPCGFLZZPPM-STQMWFEESA-N 1 1 346.435 0.242 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C3CCC(C(N)=O)CC3)C2)nn1 ZINC001105275720 741623139 /nfs/dbraw/zinc/62/31/39/741623139.db2.gz ZEADOJKRTXXFTD-UHFFFAOYSA-N 1 1 346.435 0.229 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(Cl)n(C)n3)C2)nn1 ZINC001105278573 741634000 /nfs/dbraw/zinc/63/40/00/741634000.db2.gz LCKZQAYHDYSILR-UHFFFAOYSA-N 1 1 335.799 0.638 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]nc3C)C2)nn1 ZINC001105294932 741666867 /nfs/dbraw/zinc/66/68/67/741666867.db2.gz ODJIBLPEHWPZEJ-UHFFFAOYSA-N 1 1 345.407 0.299 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1ccnc(C#N)n1 ZINC001105295684 741667875 /nfs/dbraw/zinc/66/78/75/741667875.db2.gz OOWGINSEUUXMHP-MCIONIFRSA-N 1 1 330.436 0.663 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001058729522 741733587 /nfs/dbraw/zinc/73/35/87/741733587.db2.gz MGFMPVNAAZRGIK-RHSMWYFYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)nc(OC)c3)C2)nn1 ZINC001105313961 741741316 /nfs/dbraw/zinc/74/13/16/741741316.db2.gz KNHATVSAJDVXQH-UHFFFAOYSA-N 1 1 342.403 0.963 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105320709 741775089 /nfs/dbraw/zinc/77/50/89/741775089.db2.gz GWVAWJQNRUJLPK-MRXNPFEDSA-N 1 1 334.468 0.913 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)N2CCCC2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974471614 741776885 /nfs/dbraw/zinc/77/68/85/741776885.db2.gz IKIOFYOFEIJLKW-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974471614 741776889 /nfs/dbraw/zinc/77/68/89/741776889.db2.gz IKIOFYOFEIJLKW-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974473204 741779037 /nfs/dbraw/zinc/77/90/37/741779037.db2.gz SKSYDXCHBVHJLY-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327021 741807839 /nfs/dbraw/zinc/80/78/39/741807839.db2.gz OVKRYVBRHMGZKT-AWEZNQCLSA-N 1 1 332.452 0.669 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327160 741812901 /nfs/dbraw/zinc/81/29/01/741812901.db2.gz UMOOTCXNFVPMKL-CQSZACIVSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C(C)(C)C1 ZINC000974623480 741949091 /nfs/dbraw/zinc/94/90/91/741949091.db2.gz ROMICEFQMSNCKI-CYBMUJFWSA-N 1 1 332.452 0.821 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001059862474 751682015 /nfs/dbraw/zinc/68/20/15/751682015.db2.gz NIWWYWOVNSTZMQ-MJBXVCDLSA-N 1 1 328.420 0.704 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974640647 741961150 /nfs/dbraw/zinc/96/11/50/741961150.db2.gz JLDDLJGDNUZGTC-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)CC1(C)C ZINC000974683069 742010743 /nfs/dbraw/zinc/01/07/43/742010743.db2.gz BLAUMLWIZOEKRS-LSDHHAIUSA-N 1 1 344.463 0.537 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2nc(OC)cc(OC)n2)C(C)(C)C1 ZINC000974733225 742128493 /nfs/dbraw/zinc/12/84/93/742128493.db2.gz RTIGWUFEQDUXKJ-LBPRGKRZSA-N 1 1 332.404 0.957 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2nc(OC)cc(OC)n2)C(C)(C)C1 ZINC000974733225 742128495 /nfs/dbraw/zinc/12/84/95/742128495.db2.gz RTIGWUFEQDUXKJ-LBPRGKRZSA-N 1 1 332.404 0.957 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974744013 742129021 /nfs/dbraw/zinc/12/90/21/742129021.db2.gz SMXVOKGNQMXDEI-STQMWFEESA-N 1 1 333.436 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 ZINC000974808869 742199777 /nfs/dbraw/zinc/19/97/77/742199777.db2.gz WTEACFFSCWINFU-BQJWPVKWSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 ZINC000974808869 742199780 /nfs/dbraw/zinc/19/97/80/742199780.db2.gz WTEACFFSCWINFU-BQJWPVKWSA-N 1 1 329.444 0.799 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974841525 742240965 /nfs/dbraw/zinc/24/09/65/742240965.db2.gz MJRBHOWPQSCJCO-CQSZACIVSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000974868315 742274196 /nfs/dbraw/zinc/27/41/96/742274196.db2.gz GGXOAFDKONMLAL-ZIAGYGMSSA-N 1 1 343.418 0.802 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C(C)(C)C1 ZINC000974878672 742286766 /nfs/dbraw/zinc/28/67/66/742286766.db2.gz HRZQUVPXFMYEGN-XHSDSOJGSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C(C)(C)C1 ZINC000974891912 742297748 /nfs/dbraw/zinc/29/77/48/742297748.db2.gz RMOCZSYCADUZQK-AWEZNQCLSA-N 1 1 330.436 0.792 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C(C)(C)C1 ZINC000974891912 742297749 /nfs/dbraw/zinc/29/77/49/742297749.db2.gz RMOCZSYCADUZQK-AWEZNQCLSA-N 1 1 330.436 0.792 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3csnn3)C(C)(C)C2)C1=O ZINC000974893335 742300254 /nfs/dbraw/zinc/30/02/54/742300254.db2.gz GOLQFTOUTLEMLX-STQMWFEESA-N 1 1 349.460 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3csnn3)C(C)(C)C2)C1=O ZINC000974893335 742300261 /nfs/dbraw/zinc/30/02/61/742300261.db2.gz GOLQFTOUTLEMLX-STQMWFEESA-N 1 1 349.460 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3[nH]nnc3C)C(C)(C)C2)C1=O ZINC000974894060 742301724 /nfs/dbraw/zinc/30/17/24/742301724.db2.gz AWGSGUDRLJTKRJ-CHWSQXEVSA-N 1 1 346.435 0.340 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3[nH]nnc3C)C(C)(C)C2)C1=O ZINC000974894060 742301728 /nfs/dbraw/zinc/30/17/28/742301728.db2.gz AWGSGUDRLJTKRJ-CHWSQXEVSA-N 1 1 346.435 0.340 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C(C)(C)C1 ZINC000974890785 742311771 /nfs/dbraw/zinc/31/17/71/742311771.db2.gz LJGGWDJGOPHYCY-AWEZNQCLSA-N 1 1 330.432 0.861 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000974897419 742330365 /nfs/dbraw/zinc/33/03/65/742330365.db2.gz SZGREMRFIVCDHU-LBPRGKRZSA-N 1 1 342.407 0.157 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(N(C)C)c3)C2)nn1 ZINC001105336569 742377780 /nfs/dbraw/zinc/37/77/80/742377780.db2.gz HVGBFAKWGMJDIO-UHFFFAOYSA-N 1 1 341.419 0.712 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000975000438 742428633 /nfs/dbraw/zinc/42/86/33/742428633.db2.gz YETLACXEJBUMLK-CVEARBPZSA-N 1 1 340.427 0.546 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000975000438 742428637 /nfs/dbraw/zinc/42/86/37/742428637.db2.gz YETLACXEJBUMLK-CVEARBPZSA-N 1 1 340.427 0.546 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)CC2(C)C)c1 ZINC000975010044 742445250 /nfs/dbraw/zinc/44/52/50/742445250.db2.gz GKGGIHJFRBEYOY-LSDHHAIUSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)c1 ZINC000975010044 742445252 /nfs/dbraw/zinc/44/52/52/742445252.db2.gz GKGGIHJFRBEYOY-LSDHHAIUSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC2(C)C)c1 ZINC000975010864 742445591 /nfs/dbraw/zinc/44/55/91/742445591.db2.gz JJPAUFYPOMJUIJ-HUUCEWRRSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)c1 ZINC000975010864 742445593 /nfs/dbraw/zinc/44/55/93/742445593.db2.gz JJPAUFYPOMJUIJ-HUUCEWRRSA-N 1 1 326.400 0.392 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C(C)(C)C1 ZINC000975072135 742472950 /nfs/dbraw/zinc/47/29/50/742472950.db2.gz NBGVOQVDSDZETE-OAHLLOKOSA-N 1 1 328.416 0.952 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C(C)(C)C1 ZINC000975072135 742472953 /nfs/dbraw/zinc/47/29/53/742472953.db2.gz NBGVOQVDSDZETE-OAHLLOKOSA-N 1 1 328.416 0.952 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CC(=O)N(C)C3CC3)C[C@]2(C)C1 ZINC000982232728 751737876 /nfs/dbraw/zinc/73/78/76/751737876.db2.gz BFWLUIMDFMLANI-DOPJRALCSA-N 1 1 332.448 0.937 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000975198774 742592870 /nfs/dbraw/zinc/59/28/70/742592870.db2.gz ZQJBYQOIZCDYRM-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[NH2+][C@@H](C)c3noc(C)n3)C2)nn1 ZINC001027110787 742597118 /nfs/dbraw/zinc/59/71/18/742597118.db2.gz RLNVDEZERJTQEB-WCQYABFASA-N 1 1 345.407 0.968 20 30 ECEDMO CC#CCN1CC[NH+](C2CCC(NC(=O)c3nc[nH]n3)CC2)CC1 ZINC000996790566 742869032 /nfs/dbraw/zinc/86/90/32/742869032.db2.gz YQAULMVKQSLOMK-UHFFFAOYSA-N 1 1 330.436 0.487 20 30 ECEDMO CC#CCN1CC[NH+](C2CCC(NC(=O)c3ncn[nH]3)CC2)CC1 ZINC000996790566 742869038 /nfs/dbraw/zinc/86/90/38/742869038.db2.gz YQAULMVKQSLOMK-UHFFFAOYSA-N 1 1 330.436 0.487 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC001028935920 742917115 /nfs/dbraw/zinc/91/71/15/742917115.db2.gz NEAPDXLNEUWRRP-CJNGLKHVSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001028967421 743016910 /nfs/dbraw/zinc/01/69/10/743016910.db2.gz AGGUQJKJOBTTGZ-AWEZNQCLSA-N 1 1 326.404 0.816 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)c1 ZINC001075751661 743061829 /nfs/dbraw/zinc/06/18/29/743061829.db2.gz QWPBPZZICVZAQD-HRCADAONSA-N 1 1 340.383 0.699 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)c1 ZINC001041981784 782541656 /nfs/dbraw/zinc/54/16/56/782541656.db2.gz GMUWORHVWRYBEM-JKSUJKDBSA-N 1 1 326.400 0.856 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000997087358 743215269 /nfs/dbraw/zinc/21/52/69/743215269.db2.gz IPKFMRGEOXJPHV-INIZCTEOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000997124693 743263182 /nfs/dbraw/zinc/26/31/82/743263182.db2.gz IGWXYSRVOYQBDP-UKRRQHHQSA-N 1 1 326.462 0.804 20 30 ECEDMO CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000997213844 743357036 /nfs/dbraw/zinc/35/70/36/743357036.db2.gz KXDJUCACNBQRTM-HIFRSBDPSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1 ZINC000976071805 743521033 /nfs/dbraw/zinc/52/10/33/743521033.db2.gz ICVDJOZDTBOUPM-VVLHAWIVSA-N 1 1 338.411 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1 ZINC000976071805 743521038 /nfs/dbraw/zinc/52/10/38/743521038.db2.gz ICVDJOZDTBOUPM-VVLHAWIVSA-N 1 1 338.411 0.366 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001006796314 751843123 /nfs/dbraw/zinc/84/31/23/751843123.db2.gz JSVSBFZCQGUNRW-GOEBONIOSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001006796314 751843132 /nfs/dbraw/zinc/84/31/32/751843132.db2.gz JSVSBFZCQGUNRW-GOEBONIOSA-N 1 1 345.447 0.953 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC(N)=O)C[C@]2(C)C1 ZINC000982282347 751858333 /nfs/dbraw/zinc/85/83/33/751858333.db2.gz YZJWYZKWJNBPKN-NONVJHHQSA-N 1 1 335.448 0.623 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(N)=O)C[C@]2(C)C1 ZINC000982282347 751858344 /nfs/dbraw/zinc/85/83/44/751858344.db2.gz YZJWYZKWJNBPKN-NONVJHHQSA-N 1 1 335.448 0.623 20 30 ECEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027343800 743825938 /nfs/dbraw/zinc/82/59/38/743825938.db2.gz HMYYCBGFHHRCAU-OAHLLOKOSA-N 1 1 344.415 0.887 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000976367458 743863181 /nfs/dbraw/zinc/86/31/81/743863181.db2.gz OICDTHWYDWAODX-PBOSXPJTSA-N 1 1 327.388 0.025 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001027348436 743867094 /nfs/dbraw/zinc/86/70/94/743867094.db2.gz BHCGEXLHUUVYEA-JKSUJKDBSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001027348436 743867097 /nfs/dbraw/zinc/86/70/97/743867097.db2.gz BHCGEXLHUUVYEA-JKSUJKDBSA-N 1 1 345.447 0.662 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976378701 743891532 /nfs/dbraw/zinc/89/15/32/743891532.db2.gz AVAAXDGJGNHHNQ-MYZSUADSSA-N 1 1 327.388 0.167 20 30 ECEDMO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@@H+](CC(=O)NC)CC1 ZINC000997956286 743902957 /nfs/dbraw/zinc/90/29/57/743902957.db2.gz CNXHFUWVMURDKQ-AWEZNQCLSA-N 1 1 331.420 0.949 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)n1 ZINC001059872890 751871032 /nfs/dbraw/zinc/87/10/32/751871032.db2.gz MNOCDBYRDXNKCW-LXTVHRRPSA-N 1 1 340.431 0.846 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000976408723 743918884 /nfs/dbraw/zinc/91/88/84/743918884.db2.gz PNCUMXDQYISKMR-VWOPQJGGSA-N 1 1 341.415 0.413 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001006823298 751874049 /nfs/dbraw/zinc/87/40/49/751874049.db2.gz CXUYRKXIUGCHDU-DYVFJYSZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC000998186882 744038252 /nfs/dbraw/zinc/03/82/52/744038252.db2.gz HMBJEKLVVXWJGC-QZTJIDSGSA-N 1 1 349.475 0.960 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000998193787 744042170 /nfs/dbraw/zinc/04/21/70/744042170.db2.gz CDFOWKCBSWTGDU-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000998195444 744042919 /nfs/dbraw/zinc/04/29/19/744042919.db2.gz JQBWTZJJPMWPJO-AWEZNQCLSA-N 1 1 346.431 0.826 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000998196581 744044102 /nfs/dbraw/zinc/04/41/02/744044102.db2.gz JLWPKAXCPLGDAO-LSDHHAIUSA-N 1 1 341.477 0.404 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000976534294 744059071 /nfs/dbraw/zinc/05/90/71/744059071.db2.gz WYCHYXPHJDXLJG-BDXSIMOUSA-N 1 1 337.423 0.806 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000976541077 744081914 /nfs/dbraw/zinc/08/19/14/744081914.db2.gz PXWAVNTUDSLNJJ-SIXLDLHFSA-N 1 1 338.411 0.201 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001058771033 744084221 /nfs/dbraw/zinc/08/42/21/744084221.db2.gz ONNIRASPVNTJQG-HUUCEWRRSA-N 1 1 337.464 0.478 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000998662199 744274116 /nfs/dbraw/zinc/27/41/16/744274116.db2.gz JJFJVDVYBUNMFH-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC000998757174 744316929 /nfs/dbraw/zinc/31/69/29/744316929.db2.gz WGBMTKKYHHFMHA-RYUDHWBXSA-N 1 1 341.375 0.767 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC000998757177 744317265 /nfs/dbraw/zinc/31/72/65/744317265.db2.gz WGBMTKKYHHFMHA-VXGBXAGGSA-N 1 1 341.375 0.767 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998847782 744370561 /nfs/dbraw/zinc/37/05/61/744370561.db2.gz CRDOWWCVPYWYFB-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C ZINC000998848128 744371015 /nfs/dbraw/zinc/37/10/15/744371015.db2.gz FAVYMXHOCAZZQX-ZYHUDNBSSA-N 1 1 328.380 0.365 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC000998851364 744371592 /nfs/dbraw/zinc/37/15/92/744371592.db2.gz WICVMEMWZAUFPX-CYBMUJFWSA-N 1 1 327.392 0.892 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)nc1 ZINC000998951408 744424978 /nfs/dbraw/zinc/42/49/78/744424978.db2.gz ARPLGGFXRMFCEN-PVAVHDDUSA-N 1 1 349.394 0.890 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3CCF)C2)[nH]1 ZINC000998961457 744432282 /nfs/dbraw/zinc/43/22/82/744432282.db2.gz NMUDYJPGWYTRPE-ZDUSSCGKSA-N 1 1 345.382 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCOC1 ZINC000976879918 744444454 /nfs/dbraw/zinc/44/44/54/744444454.db2.gz WNXAOWJAJSUVFF-VQHPVUNQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCOC1 ZINC000976879918 744444457 /nfs/dbraw/zinc/44/44/57/744444457.db2.gz WNXAOWJAJSUVFF-VQHPVUNQSA-N 1 1 347.459 0.664 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC000999324754 744628674 /nfs/dbraw/zinc/62/86/74/744628674.db2.gz YFJPFMDOJANNFS-JKSUJKDBSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1CC ZINC000977269039 744824929 /nfs/dbraw/zinc/82/49/29/744824929.db2.gz GRNSGXFYFGPPAW-FFRIZKCHSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1CC ZINC000977269039 744824930 /nfs/dbraw/zinc/82/49/30/744824930.db2.gz GRNSGXFYFGPPAW-FFRIZKCHSA-N 1 1 329.444 0.703 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1C ZINC001088565501 751955830 /nfs/dbraw/zinc/95/58/30/751955830.db2.gz RGOHSRXHAWZGRE-NFAWXSAZSA-N 1 1 329.404 0.365 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnns3)nn2)C1 ZINC000999954833 745094340 /nfs/dbraw/zinc/09/43/40/745094340.db2.gz HJIMGYCTLDTSMS-LBPRGKRZSA-N 1 1 333.421 0.883 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)nn3C)nn2)C1 ZINC000999961214 745104174 /nfs/dbraw/zinc/10/41/74/745104174.db2.gz IKGLUSURFDMGQS-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)CC2(C)C)nc1 ZINC000977520108 745112951 /nfs/dbraw/zinc/11/29/51/745112951.db2.gz BJENFEPDVFNOBN-HUUCEWRRSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)CC2(C)C)nc1 ZINC000977520108 745112954 /nfs/dbraw/zinc/11/29/54/745112954.db2.gz BJENFEPDVFNOBN-HUUCEWRRSA-N 1 1 328.416 0.767 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nnn(C)c3C)nn2)C1 ZINC000999970444 745117890 /nfs/dbraw/zinc/11/78/90/745117890.db2.gz HBHOBNQZSMEOHC-AWEZNQCLSA-N 1 1 344.423 0.468 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C)s3)nn2)C1 ZINC000999971259 745119374 /nfs/dbraw/zinc/11/93/74/745119374.db2.gz MVFAKOSEXYPDIF-ZDUSSCGKSA-N 1 1 330.417 0.853 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3COCCN3C)nn2)C1 ZINC000999973578 745122202 /nfs/dbraw/zinc/12/22/02/745122202.db2.gz GMGUIXSVELCOSE-HOTGVXAUSA-N 1 1 348.451 0.048 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 ZINC000999974336 745123299 /nfs/dbraw/zinc/12/32/99/745123299.db2.gz KRUKQHWVOVSRHH-HNNXBMFYSA-N 1 1 337.387 0.678 20 30 ECEDMO N#Cc1cc(C(=O)NCc2cn([C@@H]3CC[N@@H+](CCF)C3)nn2)c[nH]1 ZINC000999976869 745125281 /nfs/dbraw/zinc/12/52/81/745125281.db2.gz YBJMJWZIGBDTJA-CQSZACIVSA-N 1 1 331.355 0.624 20 30 ECEDMO N#Cc1cc(C(=O)NCc2cn([C@@H]3CC[N@H+](CCF)C3)nn2)c[nH]1 ZINC000999976869 745125287 /nfs/dbraw/zinc/12/52/87/745125287.db2.gz YBJMJWZIGBDTJA-CQSZACIVSA-N 1 1 331.355 0.624 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCNC3=O)nn2)C1 ZINC000999993351 745150956 /nfs/dbraw/zinc/15/09/56/745150956.db2.gz SAXLBNRBVYYSOC-CABCVRRESA-N 1 1 346.435 0.243 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999994603 745153624 /nfs/dbraw/zinc/15/36/24/745153624.db2.gz CMXUKZWWBBJHMY-IRXDYDNUSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CC(OC)C3)nn2)C1 ZINC000999996231 745155898 /nfs/dbraw/zinc/15/58/98/745155898.db2.gz IVVXAMCVTSHVSV-SIWZUTFBSA-N 1 1 331.420 0.589 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC(=O)N3)nn2)C1 ZINC000999998969 745160090 /nfs/dbraw/zinc/16/00/90/745160090.db2.gz VYAGKOKKXVJJIP-LSDHHAIUSA-N 1 1 346.435 0.386 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3csnn3)nn2)C1 ZINC001000002005 745165104 /nfs/dbraw/zinc/16/51/04/745165104.db2.gz QVHXBLBPXDMEEV-GFCCVEGCSA-N 1 1 331.405 0.330 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001000003946 745169858 /nfs/dbraw/zinc/16/98/58/745169858.db2.gz RNCBONQPSYQXPF-CYBMUJFWSA-N 1 1 349.826 0.941 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001000003946 745169866 /nfs/dbraw/zinc/16/98/66/745169866.db2.gz RNCBONQPSYQXPF-CYBMUJFWSA-N 1 1 349.826 0.941 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]nc3C(C)C)nn2)C1 ZINC001000004887 745171658 /nfs/dbraw/zinc/17/16/58/745171658.db2.gz WRMITBGEMLJVNX-AWEZNQCLSA-N 1 1 341.419 0.935 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccc4c[nH]nc43)nn2)C1 ZINC001000008720 745177092 /nfs/dbraw/zinc/17/70/92/745177092.db2.gz LAQDTYAYEWKKHO-HNNXBMFYSA-N 1 1 349.398 0.964 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3CC)nn2)C1 ZINC001000019033 745188810 /nfs/dbraw/zinc/18/88/10/745188810.db2.gz RSYLOXPKTADEQY-ZACQAIPSSA-N 1 1 345.447 0.980 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)c(=O)[nH]3)nn2)C1 ZINC001000020020 745190635 /nfs/dbraw/zinc/19/06/35/745190635.db2.gz IKLHVDCWPTVHFK-ZDUSSCGKSA-N 1 1 345.407 0.470 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)C3=NC(=O)N(C)C3)nn2)C1 ZINC001000020020 745190637 /nfs/dbraw/zinc/19/06/37/745190637.db2.gz IKLHVDCWPTVHFK-ZDUSSCGKSA-N 1 1 345.407 0.470 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3=NC(=O)N(C)C3)nn2)C1 ZINC001000020020 745190638 /nfs/dbraw/zinc/19/06/38/745190638.db2.gz IKLHVDCWPTVHFK-ZDUSSCGKSA-N 1 1 345.407 0.470 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001000041494 745220324 /nfs/dbraw/zinc/22/03/24/745220324.db2.gz CCRBGIVFGNRYKN-CQSZACIVSA-N 1 1 327.392 0.212 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC(=O)N3C)nn2)C1 ZINC001000043367 745224268 /nfs/dbraw/zinc/22/42/68/745224268.db2.gz KERCQXLGIRUNEQ-GJZGRUSLSA-N 1 1 346.435 0.338 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnc(C)n3)nn2)C1 ZINC001000044608 745224951 /nfs/dbraw/zinc/22/49/51/745224951.db2.gz XDOQZRWUSNDCED-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)c3)[C@H]2CC)C1=O ZINC001087498237 745261217 /nfs/dbraw/zinc/26/12/17/745261217.db2.gz GMQQJIDQEARIJM-XHSDSOJGSA-N 1 1 345.447 0.790 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCCO3)[C@@H](O)C2)cc1 ZINC001083411352 745291374 /nfs/dbraw/zinc/29/13/74/745291374.db2.gz PCOJJRDXKYSIFA-IXDOHACOSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCCO3)[C@@H](O)C2)cc1 ZINC001083411352 745291381 /nfs/dbraw/zinc/29/13/81/745291381.db2.gz PCOJJRDXKYSIFA-IXDOHACOSA-N 1 1 329.400 0.789 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001059235335 745300946 /nfs/dbraw/zinc/30/09/46/745300946.db2.gz UNHTZPARBXZUGW-BFYDXBDKSA-N 1 1 343.431 0.463 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001059235335 745300950 /nfs/dbraw/zinc/30/09/50/745300950.db2.gz UNHTZPARBXZUGW-BFYDXBDKSA-N 1 1 343.431 0.463 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2(C3CCN(CC#N)CC3)CC2)C1 ZINC001000246754 745383325 /nfs/dbraw/zinc/38/33/25/745383325.db2.gz DNIYCNGDDPZEOQ-INIZCTEOSA-N 1 1 334.464 0.980 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2(C3CCN(CC#N)CC3)CC2)C1 ZINC001000246754 745383326 /nfs/dbraw/zinc/38/33/26/745383326.db2.gz DNIYCNGDDPZEOQ-INIZCTEOSA-N 1 1 334.464 0.980 20 30 ECEDMO Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413470 745484130 /nfs/dbraw/zinc/48/41/30/745484130.db2.gz PRVDXMLDHNHCKO-KGLIPLIRSA-N 1 1 345.428 0.669 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@@H]2O)[nH]1 ZINC001083413518 745489268 /nfs/dbraw/zinc/48/92/68/745489268.db2.gz RXSOGCCNCDXFCD-SJORKVTESA-N 1 1 346.431 0.868 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 ZINC001075795448 745568002 /nfs/dbraw/zinc/56/80/02/745568002.db2.gz SXQYTBBAQZOLSF-UONOGXRCSA-N 1 1 333.432 0.880 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001006968090 752016972 /nfs/dbraw/zinc/01/69/72/752016972.db2.gz XAPYTWIADURHRV-HOTGVXAUSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001006968090 752016977 /nfs/dbraw/zinc/01/69/77/752016977.db2.gz XAPYTWIADURHRV-HOTGVXAUSA-N 1 1 345.447 0.884 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)c1 ZINC001027568530 745594717 /nfs/dbraw/zinc/59/47/17/745594717.db2.gz LVFVICTWDBNLIX-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)c1 ZINC001027568530 745594721 /nfs/dbraw/zinc/59/47/21/745594721.db2.gz LVFVICTWDBNLIX-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCCNC2=O)nc1 ZINC001028269845 752021047 /nfs/dbraw/zinc/02/10/47/752021047.db2.gz WVGLJZLXJNBSEA-GOEBONIOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCCNC2=O)nc1 ZINC001028269845 752021051 /nfs/dbraw/zinc/02/10/51/752021051.db2.gz WVGLJZLXJNBSEA-GOEBONIOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cn1cccn1 ZINC000977927253 745681179 /nfs/dbraw/zinc/68/11/79/745681179.db2.gz LNUBZUDZJYZQTJ-CVEARBPZSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cn1cccn1 ZINC000977927253 745681183 /nfs/dbraw/zinc/68/11/83/745681183.db2.gz LNUBZUDZJYZQTJ-CVEARBPZSA-N 1 1 343.431 0.040 20 30 ECEDMO CCn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977970097 745756391 /nfs/dbraw/zinc/75/63/91/745756391.db2.gz VPHHVKSXOJEECV-QKDCVEJESA-N 1 1 339.403 0.606 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001000774112 745756875 /nfs/dbraw/zinc/75/68/75/745756875.db2.gz OVAVRKAVMIHGGR-INIZCTEOSA-N 1 1 328.416 0.925 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001000774112 745756880 /nfs/dbraw/zinc/75/68/80/745756880.db2.gz OVAVRKAVMIHGGR-INIZCTEOSA-N 1 1 328.416 0.925 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)cn1 ZINC001028270725 752030360 /nfs/dbraw/zinc/03/03/60/752030360.db2.gz RIGNQOHYXSVKGZ-CABCVRRESA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)cn1 ZINC001028270725 752030363 /nfs/dbraw/zinc/03/03/63/752030363.db2.gz RIGNQOHYXSVKGZ-CABCVRRESA-N 1 1 340.383 0.062 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001000934312 745911671 /nfs/dbraw/zinc/91/16/71/745911671.db2.gz LUWXVUDOKBYCCF-HOTGVXAUSA-N 1 1 334.464 0.450 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4COC(=O)N4)[C@@H]3C2)c1 ZINC000978116828 745926899 /nfs/dbraw/zinc/92/68/99/745926899.db2.gz UCFRUHHGBZHJFL-LVQVYYBASA-N 1 1 340.383 0.461 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001000992962 745958098 /nfs/dbraw/zinc/95/80/98/745958098.db2.gz OSXAZERRFOTLNC-FUHWJXTLSA-N 1 1 333.476 0.949 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](CCN3CCNC3=O)C2)c1 ZINC001007031512 752055057 /nfs/dbraw/zinc/05/50/57/752055057.db2.gz WGWFCMGLGXOJRQ-ZDUSSCGKSA-N 1 1 330.392 0.106 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)c1 ZINC001007031512 752055064 /nfs/dbraw/zinc/05/50/64/752055064.db2.gz WGWFCMGLGXOJRQ-ZDUSSCGKSA-N 1 1 330.392 0.106 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc([C@@H]4CCCN4C)n[nH]3)[C@@H]2C1 ZINC000978221242 746070092 /nfs/dbraw/zinc/07/00/92/746070092.db2.gz JXDAMQJVIPBKKO-ZJOBFFGXSA-N 1 1 327.432 0.717 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2c3n(c(=O)n2C)CCCC3)CC1 ZINC001001142676 746109754 /nfs/dbraw/zinc/10/97/54/746109754.db2.gz AUIDNBQQHOKNKC-UHFFFAOYSA-N 1 1 328.416 0.518 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC000982370097 752061281 /nfs/dbraw/zinc/06/12/81/752061281.db2.gz WILVFEOZSODQQS-GJZGRUSLSA-N 1 1 329.400 0.956 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC000982370097 752061288 /nfs/dbraw/zinc/06/12/88/752061288.db2.gz WILVFEOZSODQQS-GJZGRUSLSA-N 1 1 329.400 0.956 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001001162931 746126664 /nfs/dbraw/zinc/12/66/64/746126664.db2.gz KRXOFTXMTGILFG-ILXRZTDVSA-N 1 1 347.415 0.131 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001001162931 746126668 /nfs/dbraw/zinc/12/66/68/746126668.db2.gz KRXOFTXMTGILFG-ILXRZTDVSA-N 1 1 347.415 0.131 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1CC ZINC001087644680 746141861 /nfs/dbraw/zinc/14/18/61/746141861.db2.gz JTCCNYZHQQGNRZ-NWDGAFQWSA-N 1 1 340.811 0.671 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1CC ZINC001087644680 746141866 /nfs/dbraw/zinc/14/18/66/746141866.db2.gz JTCCNYZHQQGNRZ-NWDGAFQWSA-N 1 1 340.811 0.671 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3csnn3)[C@H]2CC)C1=O ZINC001087675535 746175383 /nfs/dbraw/zinc/17/53/83/746175383.db2.gz RHVIPSJUEZUSGC-IACUBPJLSA-N 1 1 349.460 0.908 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3csnn3)[C@H]2CC)C1=O ZINC001087675535 746175387 /nfs/dbraw/zinc/17/53/87/746175387.db2.gz RHVIPSJUEZUSGC-IACUBPJLSA-N 1 1 349.460 0.908 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)c4ccccc43)[C@@H]2C1 ZINC000978304707 746175433 /nfs/dbraw/zinc/17/54/33/746175433.db2.gz XOTODFGZCBUHLH-XLAORIBOSA-N 1 1 337.423 0.831 20 30 ECEDMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001211944641 752066946 /nfs/dbraw/zinc/06/69/46/752066946.db2.gz GSAVSMWUXWQFRQ-HUUCEWRRSA-N 1 1 346.387 0.230 20 30 ECEDMO COC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001211944641 752066949 /nfs/dbraw/zinc/06/69/49/752066949.db2.gz GSAVSMWUXWQFRQ-HUUCEWRRSA-N 1 1 346.387 0.230 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@H+](CC(=O)N3CCC3)CC2)nn1 ZINC001001241509 746200068 /nfs/dbraw/zinc/20/00/68/746200068.db2.gz NLLTUIBNGTYTTO-UHFFFAOYSA-N 1 1 344.419 0.058 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+](CC(=O)N3CCC3)CC2)nn1 ZINC001001241509 746200072 /nfs/dbraw/zinc/20/00/72/746200072.db2.gz NLLTUIBNGTYTTO-UHFFFAOYSA-N 1 1 344.419 0.058 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@H+](Cc3ccnn3C)CC2)nn1 ZINC001001243059 746201312 /nfs/dbraw/zinc/20/13/12/746201312.db2.gz WVSFOISEEVQYHM-UHFFFAOYSA-N 1 1 341.419 0.760 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+](Cc3ccnn3C)CC2)nn1 ZINC001001243059 746201316 /nfs/dbraw/zinc/20/13/16/746201316.db2.gz WVSFOISEEVQYHM-UHFFFAOYSA-N 1 1 341.419 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000984283290 746217676 /nfs/dbraw/zinc/21/76/76/746217676.db2.gz FYXINTGPSMFUJJ-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000984283290 746217679 /nfs/dbraw/zinc/21/76/79/746217679.db2.gz FYXINTGPSMFUJJ-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4c(n3)C[C@H](OC)CC4)[C@@H]2C1 ZINC000978342662 746225158 /nfs/dbraw/zinc/22/51/58/746225158.db2.gz WMSLUONWRAHZEK-FPCVCCKLSA-N 1 1 342.443 0.775 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H]1CC ZINC001087735018 746261764 /nfs/dbraw/zinc/26/17/64/746261764.db2.gz LFRGDXFGOATTJJ-DZGCQCFKSA-N 1 1 330.432 0.957 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087757748 746290923 /nfs/dbraw/zinc/29/09/23/746290923.db2.gz KFUFOOGAQATTLH-RRFJBIMHSA-N 1 1 343.493 0.956 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001001366607 746313050 /nfs/dbraw/zinc/31/30/50/746313050.db2.gz NVSIBUAPSMZRJW-UHFFFAOYSA-N 1 1 342.403 0.746 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@@H](CC)C(N)=O)CC2)cn1 ZINC001001382613 746328552 /nfs/dbraw/zinc/32/85/52/746328552.db2.gz YQWTWNIRDZSRKC-INIZCTEOSA-N 1 1 326.400 0.689 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnon3)C2)C1=O ZINC001027623844 746332052 /nfs/dbraw/zinc/33/20/52/746332052.db2.gz DGPVBBIHIZMQJU-OCCSQVGLSA-N 1 1 333.392 0.393 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1CC ZINC001087787349 746333334 /nfs/dbraw/zinc/33/33/34/746333334.db2.gz TUGSEOIBUKDEFJ-UONOGXRCSA-N 1 1 333.436 0.536 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cncn4C)[C@@H]3C2)C1=O ZINC000978449708 746336413 /nfs/dbraw/zinc/33/64/13/746336413.db2.gz FXKVCNBJCJYHSD-APIJFGDWSA-N 1 1 343.431 0.115 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001001396361 746338838 /nfs/dbraw/zinc/33/88/38/746338838.db2.gz GWTJMQYDULZBMW-HNNXBMFYSA-N 1 1 342.399 0.073 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001001396361 746338839 /nfs/dbraw/zinc/33/88/39/746338839.db2.gz GWTJMQYDULZBMW-HNNXBMFYSA-N 1 1 342.399 0.073 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3CCCC)[C@@H]2C1 ZINC000978521725 746383595 /nfs/dbraw/zinc/38/35/95/746383595.db2.gz AVMSWRHPNQLHTF-ZJPYXAASSA-N 1 1 333.476 0.805 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3CC(F)F)[C@@H]2C1 ZINC000978527080 746406365 /nfs/dbraw/zinc/40/63/65/746406365.db2.gz PUHWDSVPMAGKAL-APIJFGDWSA-N 1 1 341.402 0.270 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]nc3[C@@H]3CCOC3)[C@@H]2C1 ZINC000978547921 746415710 /nfs/dbraw/zinc/41/57/10/746415710.db2.gz JEMHFEUVELZUQW-XOUADPBQSA-N 1 1 328.416 0.845 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001509080 746447293 /nfs/dbraw/zinc/44/72/93/746447293.db2.gz MXHBFXAFMUXFIC-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)cc1 ZINC000978571454 746450146 /nfs/dbraw/zinc/45/01/46/746450146.db2.gz KATBSFSWZVONQU-YYQUZTFQSA-N 1 1 325.412 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC000978588863 746477017 /nfs/dbraw/zinc/47/70/17/746477017.db2.gz XYJVXHIHCZVWNX-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC000978588863 746477019 /nfs/dbraw/zinc/47/70/19/746477019.db2.gz XYJVXHIHCZVWNX-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@H]2CCCN(C(=O)C(F)F)C2)C1=O ZINC001087853388 746504796 /nfs/dbraw/zinc/50/47/96/746504796.db2.gz MZLFHWYRLVFVMB-QWHCGFSZSA-N 1 1 345.390 0.324 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@H]2CCCN(C(=O)CC3CC3)C2)C1=O ZINC001087853893 746506664 /nfs/dbraw/zinc/50/66/64/746506664.db2.gz LHUOEBCWHVNWJS-DLBZAZTESA-N 1 1 349.475 0.859 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@H]2CCCN(C(=O)C(C)C)C2)C1=O ZINC001087854409 746507402 /nfs/dbraw/zinc/50/74/02/746507402.db2.gz GNACIHQZBFJMFV-HOTGVXAUSA-N 1 1 337.464 0.715 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978651750 746525090 /nfs/dbraw/zinc/52/50/90/746525090.db2.gz RRSJLHCZGAHESZ-OSAQELSMSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001027654276 746574172 /nfs/dbraw/zinc/57/41/72/746574172.db2.gz TVIUNBDYFIEVRI-ZDUSSCGKSA-N 1 1 330.388 0.115 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001027654276 746574175 /nfs/dbraw/zinc/57/41/75/746574175.db2.gz TVIUNBDYFIEVRI-ZDUSSCGKSA-N 1 1 330.388 0.115 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]32)c1 ZINC000978695827 746590957 /nfs/dbraw/zinc/59/09/57/746590957.db2.gz GAKRADYQTZEQKD-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CCn3cncn3)C2)nc1 ZINC001027656504 746598503 /nfs/dbraw/zinc/59/85/03/746598503.db2.gz RJZKIJJLOAOERT-INIZCTEOSA-N 1 1 338.415 0.891 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cncn4C)C[C@H]32)c1 ZINC000978702078 746602686 /nfs/dbraw/zinc/60/26/86/746602686.db2.gz UOTOBCXZPLFFOP-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000978730404 746642774 /nfs/dbraw/zinc/64/27/74/746642774.db2.gz FEYHSPJNFDZCGW-KCQAQPDRSA-N 1 1 343.431 0.853 20 30 ECEDMO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1OC ZINC001211956525 752110407 /nfs/dbraw/zinc/11/04/07/752110407.db2.gz CNNAZMODLZCBEQ-KBRIMQKVSA-N 1 1 347.415 0.939 20 30 ECEDMO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1OC ZINC001211956525 752110408 /nfs/dbraw/zinc/11/04/08/752110408.db2.gz CNNAZMODLZCBEQ-KBRIMQKVSA-N 1 1 347.415 0.939 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001027663934 746650782 /nfs/dbraw/zinc/65/07/82/746650782.db2.gz MGMDSYAPQBKHNG-ZBFHGGJFSA-N 1 1 343.493 0.957 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001087914821 746656231 /nfs/dbraw/zinc/65/62/31/746656231.db2.gz HDMHXFLRYMZEBK-HIFRSBDPSA-N 1 1 344.390 0.853 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001087914821 746656232 /nfs/dbraw/zinc/65/62/32/746656232.db2.gz HDMHXFLRYMZEBK-HIFRSBDPSA-N 1 1 344.390 0.853 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087925159 746670477 /nfs/dbraw/zinc/67/04/77/746670477.db2.gz ZSTATBDXJNBLHX-CFVMTHIKSA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087938842 746688524 /nfs/dbraw/zinc/68/85/24/746688524.db2.gz MUVKSZZHSSTHLW-MJBXVCDLSA-N 1 1 343.431 0.757 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C)C[C@@H]2C1 ZINC001087940553 746694775 /nfs/dbraw/zinc/69/47/75/746694775.db2.gz NOMOTJRXIDBCFD-QLFBSQMISA-N 1 1 327.856 0.850 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C)C[C@@H]2C1 ZINC001087940553 746694778 /nfs/dbraw/zinc/69/47/78/746694778.db2.gz NOMOTJRXIDBCFD-QLFBSQMISA-N 1 1 327.856 0.850 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)c[nH]1 ZINC001087940313 746694860 /nfs/dbraw/zinc/69/48/60/746694860.db2.gz DUUGDGBNNAYLRQ-ZLDLUXBVSA-N 1 1 327.388 0.169 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@@H]2C1 ZINC001087940552 746694913 /nfs/dbraw/zinc/69/49/13/746694913.db2.gz NOMOTJRXIDBCFD-ILXRZTDVSA-N 1 1 327.856 0.850 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@@H]2C1 ZINC001087940552 746694916 /nfs/dbraw/zinc/69/49/16/746694916.db2.gz NOMOTJRXIDBCFD-ILXRZTDVSA-N 1 1 327.856 0.850 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)c[nH]1 ZINC001007137416 752116315 /nfs/dbraw/zinc/11/63/15/752116315.db2.gz IBJNYHLUPGOMFM-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087962107 746747230 /nfs/dbraw/zinc/74/72/30/746747230.db2.gz YGXBCGWFOXSKOR-IKGGRYGDSA-N 1 1 339.443 0.959 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cc(C)on4)C[C@H]32)nn1 ZINC000978819872 746748161 /nfs/dbraw/zinc/74/81/61/746748161.db2.gz RUPRHTAKMZGVAM-QKDCVEJESA-N 1 1 342.403 0.868 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cc(C)on4)C[C@H]32)nn1 ZINC000978819872 746748167 /nfs/dbraw/zinc/74/81/67/746748167.db2.gz RUPRHTAKMZGVAM-QKDCVEJESA-N 1 1 342.403 0.868 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC000978824018 746752338 /nfs/dbraw/zinc/75/23/38/746752338.db2.gz KQTHWCFVAQTVEM-ZQDZILKHSA-N 1 1 326.462 0.681 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(C)=O)CC1 ZINC001001851490 746767888 /nfs/dbraw/zinc/76/78/88/746767888.db2.gz MXGIGXYPFFQGTN-SQNIBIBYSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(C)=O)CC1 ZINC001001851490 746767890 /nfs/dbraw/zinc/76/78/90/746767890.db2.gz MXGIGXYPFFQGTN-SQNIBIBYSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001001891478 746789145 /nfs/dbraw/zinc/78/91/45/746789145.db2.gz VMCQAWUCGFXNKC-MRXNPFEDSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@@H]2C1 ZINC001087985041 746855802 /nfs/dbraw/zinc/85/58/02/746855802.db2.gz AWMSILPXMLWLBN-IKGGRYGDSA-N 1 1 347.459 0.285 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCN(C)C1=O ZINC001029480916 746896473 /nfs/dbraw/zinc/89/64/73/746896473.db2.gz PZFUZKAVVNGIHN-ALYAQQCSSA-N 1 1 347.459 0.874 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@@H]2C1 ZINC001087986527 746921690 /nfs/dbraw/zinc/92/16/90/746921690.db2.gz PPBOWOYGOZIJTM-CABCVRRESA-N 1 1 341.477 0.378 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2ccon2)C1 ZINC000978954355 746950026 /nfs/dbraw/zinc/95/00/26/746950026.db2.gz SFCCLPHCERXZSA-IMJJTQAJSA-N 1 1 344.415 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2ccon2)C1 ZINC000978954355 746950031 /nfs/dbraw/zinc/95/00/31/746950031.db2.gz SFCCLPHCERXZSA-IMJJTQAJSA-N 1 1 344.415 0.326 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 ZINC000978959693 746956506 /nfs/dbraw/zinc/95/65/06/746956506.db2.gz FORIHEQSWOLQPM-XYYAHUGASA-N 1 1 342.403 0.291 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978962593 746961212 /nfs/dbraw/zinc/96/12/12/746961212.db2.gz DMOSWOUSQQXTBO-TUVASFSCSA-N 1 1 329.404 0.170 20 30 ECEDMO N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001059446567 746984279 /nfs/dbraw/zinc/98/42/79/746984279.db2.gz ZUHFAMCPWKGKAB-ANQUJSFKSA-N 1 1 341.415 0.297 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)C(=O)NC4=O)[C@@H]2C1 ZINC000978991626 746995564 /nfs/dbraw/zinc/99/55/64/746995564.db2.gz NCIMKMWFTAFQMZ-QKDCVEJESA-N 1 1 325.368 0.664 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007161621 752143433 /nfs/dbraw/zinc/14/34/33/752143433.db2.gz IAFCDHSQJOULBM-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007161621 752143435 /nfs/dbraw/zinc/14/34/35/752143435.db2.gz IAFCDHSQJOULBM-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C[C@@H]2C1 ZINC001088019013 747073882 /nfs/dbraw/zinc/07/38/82/747073882.db2.gz SWZVLKPVDFQJAQ-ILXRZTDVSA-N 1 1 343.431 0.350 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001002199974 747077444 /nfs/dbraw/zinc/07/74/44/747077444.db2.gz IDMKBSWEPAKKTN-PMPSAXMXSA-N 1 1 335.448 0.494 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc(CC)o3)C2)nn1 ZINC000984902014 747081247 /nfs/dbraw/zinc/08/12/47/747081247.db2.gz FJYMEQGSMMIXRN-HAQNSBGRSA-N 1 1 345.407 0.708 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001002216133 747092713 /nfs/dbraw/zinc/09/27/13/747092713.db2.gz JDXPSZGKTUKWFN-PMPSAXMXSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(N)=O)cn3)[C@@H]2C1 ZINC000979109157 747192541 /nfs/dbraw/zinc/19/25/41/747192541.db2.gz WXQNOWSUDFWXOF-XYYAHUGASA-N 1 1 334.807 0.841 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(OC)ncnc3OC)[C@@H]2C1 ZINC000979141055 747240576 /nfs/dbraw/zinc/24/05/76/747240576.db2.gz GLBMSGXYJOGOQX-XYYAHUGASA-N 1 1 330.388 0.425 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ccncc2C#N)C1 ZINC001105409845 747435299 /nfs/dbraw/zinc/43/52/99/747435299.db2.gz NGGJHFHLJOFAOC-INIZCTEOSA-N 1 1 331.420 0.569 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ccncc2C#N)C1 ZINC001105409845 747435304 /nfs/dbraw/zinc/43/53/04/747435304.db2.gz NGGJHFHLJOFAOC-INIZCTEOSA-N 1 1 331.420 0.569 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001002511505 747448707 /nfs/dbraw/zinc/44/87/07/747448707.db2.gz AIEVTCMCTCMNHB-HNNXBMFYSA-N 1 1 326.400 0.749 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]2C1 ZINC001088142347 747495972 /nfs/dbraw/zinc/49/59/72/747495972.db2.gz GLJKQVYNLOZACP-CABCVRRESA-N 1 1 328.416 0.680 20 30 ECEDMO C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979288377 747541216 /nfs/dbraw/zinc/54/12/16/747541216.db2.gz FQDVYWVAXUBJRD-FZMZJTMJSA-N 1 1 343.391 0.034 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)[nH]1 ZINC001002618795 747579404 /nfs/dbraw/zinc/57/94/04/747579404.db2.gz AXAPMHOGVOIREW-UHFFFAOYSA-N 1 1 329.404 0.703 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979311101 747604277 /nfs/dbraw/zinc/60/42/77/747604277.db2.gz MILSAKZMCFAFPU-UNIGVISCSA-N 1 1 343.431 0.709 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979316492 747627209 /nfs/dbraw/zinc/62/72/09/747627209.db2.gz NZIDLYBJPLZJOL-DZGCQCFKSA-N 1 1 346.435 0.202 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cc[nH]n3)CC2)C1=O ZINC000985294216 747655395 /nfs/dbraw/zinc/65/53/95/747655395.db2.gz SXLUAACDQDUSKM-HNNXBMFYSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)c3ccn[nH]3)CC2)C1=O ZINC000985294216 747655400 /nfs/dbraw/zinc/65/54/00/747655400.db2.gz SXLUAACDQDUSKM-HNNXBMFYSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3ccn[nH]3)CC2)C1=O ZINC000985294216 747655403 /nfs/dbraw/zinc/65/54/03/747655403.db2.gz SXLUAACDQDUSKM-HNNXBMFYSA-N 1 1 331.420 0.733 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001087425767 747700236 /nfs/dbraw/zinc/70/02/36/747700236.db2.gz RNSZIKSPVPUFDK-QRVBRYPASA-N 1 1 341.455 0.925 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001087425767 747700240 /nfs/dbraw/zinc/70/02/40/747700240.db2.gz RNSZIKSPVPUFDK-QRVBRYPASA-N 1 1 341.455 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC000979374976 747701622 /nfs/dbraw/zinc/70/16/22/747701622.db2.gz SXPKTUVMHFIPPS-QXSJWSMHSA-N 1 1 329.444 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC000979374976 747701630 /nfs/dbraw/zinc/70/16/30/747701630.db2.gz SXPKTUVMHFIPPS-QXSJWSMHSA-N 1 1 329.444 0.895 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c(C)noc2C)C1 ZINC001149130545 752213996 /nfs/dbraw/zinc/21/39/96/752213996.db2.gz LVSKZGSGPBBSHW-OAHLLOKOSA-N 1 1 335.404 0.762 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)noc2C)C1 ZINC001149130545 752214000 /nfs/dbraw/zinc/21/40/00/752214000.db2.gz LVSKZGSGPBBSHW-OAHLLOKOSA-N 1 1 335.404 0.762 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001027796761 747819342 /nfs/dbraw/zinc/81/93/42/747819342.db2.gz KNIUSGNVRWSMOH-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001027796761 747819345 /nfs/dbraw/zinc/81/93/45/747819345.db2.gz KNIUSGNVRWSMOH-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C)nn2)C1 ZINC001002826633 747839993 /nfs/dbraw/zinc/83/99/93/747839993.db2.gz OMZXJMUJMZADRX-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C)nn2)C1 ZINC001002826633 747839997 /nfs/dbraw/zinc/83/99/97/747839997.db2.gz OMZXJMUJMZADRX-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cncnc2C)C1 ZINC001002828047 747842809 /nfs/dbraw/zinc/84/28/09/747842809.db2.gz ADRLGIBXFSKPAK-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cncnc2C)C1 ZINC001002828047 747842813 /nfs/dbraw/zinc/84/28/13/747842813.db2.gz ADRLGIBXFSKPAK-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCc2ncc[nH]2)C1 ZINC001002830903 747849222 /nfs/dbraw/zinc/84/92/22/747849222.db2.gz YAJLVYLXUASFHT-HNNXBMFYSA-N 1 1 343.431 0.015 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCc2ncc[nH]2)C1 ZINC001002830903 747849231 /nfs/dbraw/zinc/84/92/31/747849231.db2.gz YAJLVYLXUASFHT-HNNXBMFYSA-N 1 1 343.431 0.015 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CCCCO2)C1 ZINC001002830914 747849364 /nfs/dbraw/zinc/84/93/64/747849364.db2.gz YMNAXJZHJDCRBE-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CCCCO2)C1 ZINC001002830914 747849374 /nfs/dbraw/zinc/84/93/74/747849374.db2.gz YMNAXJZHJDCRBE-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2csc(C)n2)C1 ZINC001002835156 747856054 /nfs/dbraw/zinc/85/60/54/747856054.db2.gz MDWZBIBYUCGIQO-HNNXBMFYSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2csc(C)n2)C1 ZINC001002835156 747856063 /nfs/dbraw/zinc/85/60/63/747856063.db2.gz MDWZBIBYUCGIQO-HNNXBMFYSA-N 1 1 346.456 0.737 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001002849134 747874346 /nfs/dbraw/zinc/87/43/46/747874346.db2.gz POHSVAOZYWOPMY-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C)on2)C1 ZINC000979445770 747886214 /nfs/dbraw/zinc/88/62/14/747886214.db2.gz RDDUAAKYEANWIV-DZKIICNBSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C)on2)C1 ZINC000979445770 747886224 /nfs/dbraw/zinc/88/62/24/747886224.db2.gz RDDUAAKYEANWIV-DZKIICNBSA-N 1 1 344.415 0.705 20 30 ECEDMO C=C(Br)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027804906 747917941 /nfs/dbraw/zinc/91/79/41/747917941.db2.gz JPSPDCSGIGFMRS-OLZOCXBDSA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(Br)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027804906 747917944 /nfs/dbraw/zinc/91/79/44/747917944.db2.gz JPSPDCSGIGFMRS-OLZOCXBDSA-N 1 1 346.269 0.806 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001027805323 747920316 /nfs/dbraw/zinc/92/03/16/747920316.db2.gz QXADGRZZMRKHDD-MOPGFXCFSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccccc2)C1 ZINC001027805323 747920318 /nfs/dbraw/zinc/92/03/18/747920318.db2.gz QXADGRZZMRKHDD-MOPGFXCFSA-N 1 1 341.455 0.949 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001088239594 747928664 /nfs/dbraw/zinc/92/86/64/747928664.db2.gz ARTWGQCCJUMOSR-QGZVFWFLSA-N 1 1 345.447 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cnsn2)C1 ZINC000979525457 747961887 /nfs/dbraw/zinc/96/18/87/747961887.db2.gz GYMXLXDTJVTWHM-OBJOEFQTSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cnsn2)C1 ZINC000979525457 747961889 /nfs/dbraw/zinc/96/18/89/747961889.db2.gz GYMXLXDTJVTWHM-OBJOEFQTSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC000979526776 747985147 /nfs/dbraw/zinc/98/51/47/747985147.db2.gz AEAQNNILDIPCIH-DZKIICNBSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC000979526776 747985152 /nfs/dbraw/zinc/98/51/52/747985152.db2.gz AEAQNNILDIPCIH-DZKIICNBSA-N 1 1 343.431 0.440 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001027813638 748008119 /nfs/dbraw/zinc/00/81/19/748008119.db2.gz XUKGPKYQAGQMMX-OAHLLOKOSA-N 1 1 341.419 0.989 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001029669184 748019518 /nfs/dbraw/zinc/01/95/18/748019518.db2.gz ZKWFYORCVIWPNT-INIZCTEOSA-N 1 1 349.456 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccnn2C)C1 ZINC000979557477 748025855 /nfs/dbraw/zinc/02/58/55/748025855.db2.gz QXYRGAVPHLKBHB-DZKIICNBSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccnn2C)C1 ZINC000979557477 748025864 /nfs/dbraw/zinc/02/58/64/748025864.db2.gz QXYRGAVPHLKBHB-DZKIICNBSA-N 1 1 343.431 0.142 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000979570691 748034501 /nfs/dbraw/zinc/03/45/01/748034501.db2.gz CILFCZBUWDDTGJ-UMVBOHGHSA-N 1 1 346.435 0.183 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)CC2CCS(=O)(=O)CC2)C1 ZINC001029677111 748039742 /nfs/dbraw/zinc/03/97/42/748039742.db2.gz JCJZNFBWUANHCW-DZGCQCFKSA-N 1 1 341.477 0.751 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691015 748073422 /nfs/dbraw/zinc/07/34/22/748073422.db2.gz LXPAWESGLLSHOX-NEPJUHHUSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691015 748073433 /nfs/dbraw/zinc/07/34/33/748073433.db2.gz LXPAWESGLLSHOX-NEPJUHHUSA-N 1 1 342.407 0.565 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1 ZINC001003035565 748100473 /nfs/dbraw/zinc/10/04/73/748100473.db2.gz DVDDQHTXRNNPTK-KRWDZBQOSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC000979621985 748114505 /nfs/dbraw/zinc/11/45/05/748114505.db2.gz VRTPEDBNQLPOQI-AVGNSLFASA-N 1 1 339.827 0.953 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001029712668 748126026 /nfs/dbraw/zinc/12/60/26/748126026.db2.gz XZYPZYYWRQUUND-SWLSCSKDSA-N 1 1 329.404 0.511 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027831592 748283179 /nfs/dbraw/zinc/28/31/79/748283179.db2.gz RWTSYRRZCLLQAH-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC000979733768 748345321 /nfs/dbraw/zinc/34/53/21/748345321.db2.gz UFDNHAGDSULUMU-MELADBBJSA-N 1 1 346.435 0.170 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3cncn3C)C2)C1=O ZINC001029778496 748347837 /nfs/dbraw/zinc/34/78/37/748347837.db2.gz JRDUVLWNJZBELT-LSDHHAIUSA-N 1 1 345.447 0.601 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC000979795623 748411672 /nfs/dbraw/zinc/41/16/72/748411672.db2.gz KECNHNSGPIKEKO-HRCADAONSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC000985549136 748453438 /nfs/dbraw/zinc/45/34/38/748453438.db2.gz CADRFPSAFIJKML-UHFFFAOYSA-N 1 1 327.388 0.501 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001029800062 748467782 /nfs/dbraw/zinc/46/77/82/748467782.db2.gz JDJPGXUKBREVLV-SJORKVTESA-N 1 1 340.427 0.975 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3n[nH]nc3C)CC2)C1=O ZINC000985567580 748547212 /nfs/dbraw/zinc/54/72/12/748547212.db2.gz XZPTXQPCWTUCBE-AWEZNQCLSA-N 1 1 346.435 0.436 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)c3[nH]nnc3C)CC2)C1=O ZINC000985567580 748547217 /nfs/dbraw/zinc/54/72/17/748547217.db2.gz XZPTXQPCWTUCBE-AWEZNQCLSA-N 1 1 346.435 0.436 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3[nH]nnc3C)CC2)C1=O ZINC000985567580 748547221 /nfs/dbraw/zinc/54/72/21/748547221.db2.gz XZPTXQPCWTUCBE-AWEZNQCLSA-N 1 1 346.435 0.436 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC001003467783 748585380 /nfs/dbraw/zinc/58/53/80/748585380.db2.gz NIVPMOIQDXHSEM-OAHLLOKOSA-N 1 1 340.427 0.593 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029821768 748600865 /nfs/dbraw/zinc/60/08/65/748600865.db2.gz SGROKUFEBXQELY-FZMZJTMJSA-N 1 1 347.444 0.581 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001059587115 748617798 /nfs/dbraw/zinc/61/77/98/748617798.db2.gz HHSKZDCKCKIXQC-MBNYWOFBSA-N 1 1 344.419 0.300 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001059587115 748617803 /nfs/dbraw/zinc/61/78/03/748617803.db2.gz HHSKZDCKCKIXQC-MBNYWOFBSA-N 1 1 344.419 0.300 20 30 ECEDMO Cn1nnc(C(=O)N2CCC([N@@H+](C)Cc3ccc(C#N)s3)CC2)n1 ZINC000985585704 748647999 /nfs/dbraw/zinc/64/79/99/748647999.db2.gz RVPRFKWTKCEIFH-UHFFFAOYSA-N 1 1 345.432 0.880 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001003546883 748668997 /nfs/dbraw/zinc/66/89/97/748668997.db2.gz DXAKPJNLEVHHPL-KRWDZBQOSA-N 1 1 348.491 0.696 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058816033 748793864 /nfs/dbraw/zinc/79/38/64/748793864.db2.gz GJLZSGDAMLHSHU-KRWDZBQOSA-N 1 1 327.469 0.868 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cnnn2C)CC1 ZINC000985659172 748827015 /nfs/dbraw/zinc/82/70/15/748827015.db2.gz XQAROHKUZYRMDG-CVEARBPZSA-N 1 1 333.436 0.829 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccnnc3)C2)C1=O ZINC001029853241 748835037 /nfs/dbraw/zinc/83/50/37/748835037.db2.gz ORJFIDJZCKKHHD-GOEBONIOSA-N 1 1 343.431 0.657 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]2C1 ZINC000980080842 748948863 /nfs/dbraw/zinc/94/88/63/748948863.db2.gz CAHVKPIOIHYPIY-KKUMJFAQSA-N 1 1 333.436 0.375 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2c[nH]nc2-c2cnn(C)c2)CC1 ZINC000985743158 748994462 /nfs/dbraw/zinc/99/44/62/748994462.db2.gz LAXQTPXOOFCWNM-UHFFFAOYSA-N 1 1 326.404 0.980 20 30 ECEDMO C#CC[N@@H+](C)C1CCN(C(=O)c2cn[nH]c2-c2cnn(C)c2)CC1 ZINC000985743158 748994470 /nfs/dbraw/zinc/99/44/70/748994470.db2.gz LAXQTPXOOFCWNM-UHFFFAOYSA-N 1 1 326.404 0.980 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2cn[nH]c2-c2cnn(C)c2)CC1 ZINC000985743158 748994477 /nfs/dbraw/zinc/99/44/77/748994477.db2.gz LAXQTPXOOFCWNM-UHFFFAOYSA-N 1 1 326.404 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)[C@H](CC)C(N)=O)CC2)nc1 ZINC000985758602 749027050 /nfs/dbraw/zinc/02/70/50/749027050.db2.gz XORBKDUQMDQWKC-MRXNPFEDSA-N 1 1 328.416 0.863 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cnc4c(c3)nnn4C)C[C@H]2C1 ZINC000980163073 749095399 /nfs/dbraw/zinc/09/53/99/749095399.db2.gz HZTYONPCXPVDGY-AEGPPILISA-N 1 1 338.415 0.827 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980167396 749102330 /nfs/dbraw/zinc/10/23/30/749102330.db2.gz SHDVGEUWEUKPIU-ZNMIVQPWSA-N 1 1 346.431 0.742 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2cnc[nH]2)C1 ZINC001059648491 749108489 /nfs/dbraw/zinc/10/84/89/749108489.db2.gz UAWFPZVLUJTZGR-KGLIPLIRSA-N 1 1 332.404 0.345 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001059648456 749114751 /nfs/dbraw/zinc/11/47/51/749114751.db2.gz SSOSBPPGPHEFLU-HZPDHXFCSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC000980181241 749116738 /nfs/dbraw/zinc/11/67/38/749116738.db2.gz CKBWSFKVVXHWRD-AEGPPILISA-N 1 1 331.416 0.279 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 ZINC000980181562 749117466 /nfs/dbraw/zinc/11/74/66/749117466.db2.gz DVEPGERCGRPRSQ-NWANDNLSSA-N 1 1 333.432 0.832 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001004003891 749132046 /nfs/dbraw/zinc/13/20/46/749132046.db2.gz OCBPPOVAVPKDIK-CYBMUJFWSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001004005614 749133997 /nfs/dbraw/zinc/13/39/97/749133997.db2.gz VOLIQTHEUODCHO-LBPRGKRZSA-N 1 1 330.388 0.162 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059654311 749149489 /nfs/dbraw/zinc/14/94/89/749149489.db2.gz ALVNZPMNCBHEGH-MBNYWOFBSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059654311 749149494 /nfs/dbraw/zinc/14/94/94/749149494.db2.gz ALVNZPMNCBHEGH-MBNYWOFBSA-N 1 1 330.392 0.128 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cnco3)CC2)CC1 ZINC000985829459 749195385 /nfs/dbraw/zinc/19/53/85/749195385.db2.gz JPCQENRSVMOENY-UHFFFAOYSA-N 1 1 345.403 0.193 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC000980234181 749216914 /nfs/dbraw/zinc/21/69/14/749216914.db2.gz WBZNHCWNEDQLJM-XHSDSOJGSA-N 1 1 345.447 0.130 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC000980235513 749218973 /nfs/dbraw/zinc/21/89/73/749218973.db2.gz ATIZEUAFIJRKIQ-YNEHKIRRSA-N 1 1 327.388 0.039 20 30 ECEDMO C=C1CCC(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001004113990 749223689 /nfs/dbraw/zinc/22/36/89/749223689.db2.gz ONIHDZWMVCPILT-MRXNPFEDSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C1CCC(C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001004113990 749223692 /nfs/dbraw/zinc/22/36/92/749223692.db2.gz ONIHDZWMVCPILT-MRXNPFEDSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001004133571 749241513 /nfs/dbraw/zinc/24/15/13/749241513.db2.gz IIPXNOFUQRWBBP-UHFFFAOYSA-N 1 1 349.884 0.050 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C(N)=O)cn3)C[C@@H]2C1 ZINC000980255292 749261384 /nfs/dbraw/zinc/26/13/84/749261384.db2.gz JHMDNRBEUCWOBP-RRFJBIMHSA-N 1 1 326.400 0.644 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)n3C)C[C@H]2C1 ZINC000980257293 749264239 /nfs/dbraw/zinc/26/42/39/749264239.db2.gz SZVQBRASBNRSGK-SOUVJXGZSA-N 1 1 330.432 0.577 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001004192173 749299422 /nfs/dbraw/zinc/29/94/22/749299422.db2.gz JMBOUWDOHNUTAZ-INIZCTEOSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1=O ZINC001029877802 749330720 /nfs/dbraw/zinc/33/07/20/749330720.db2.gz WCXRYEZIMWDGFN-HUUCEWRRSA-N 1 1 345.447 0.519 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001059679704 749408542 /nfs/dbraw/zinc/40/85/42/749408542.db2.gz OTDBKNMKCQRJHN-GOEBONIOSA-N 1 1 346.431 0.585 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC000980386667 749485291 /nfs/dbraw/zinc/48/52/91/749485291.db2.gz MFTDWZJWTCQWTB-DZGCQCFKSA-N 1 1 331.420 0.353 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001004502989 749575037 /nfs/dbraw/zinc/57/50/37/749575037.db2.gz WILFYXIBCORVFI-QGZVFWFLSA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cncnc3C)[C@H]2C)C1=O ZINC001088477940 749578313 /nfs/dbraw/zinc/57/83/13/749578313.db2.gz ZDHZVIDTHKIUEG-VNQPRFMTSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cncnc3C)[C@H]2C)C1=O ZINC001088477940 749578318 /nfs/dbraw/zinc/57/83/18/749578318.db2.gz ZDHZVIDTHKIUEG-VNQPRFMTSA-N 1 1 343.431 0.765 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001004523476 749595339 /nfs/dbraw/zinc/59/53/39/749595339.db2.gz FIQZQCAKYFWEST-CVEARBPZSA-N 1 1 335.448 0.636 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000986182175 749640683 /nfs/dbraw/zinc/64/06/83/749640683.db2.gz IDVNYHPDZFSHOL-AAEUAGOBSA-N 1 1 327.392 0.891 20 30 ECEDMO C[C@H]1[C@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000986186143 749645103 /nfs/dbraw/zinc/64/51/03/749645103.db2.gz PNCNNZYUQSSTOU-SMDDNHRTSA-N 1 1 345.382 0.840 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cnnn1CC ZINC001027942583 749666559 /nfs/dbraw/zinc/66/65/59/749666559.db2.gz DWDJWMMNNYPRHR-RDJZCZTQSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cnnn1CC ZINC001027942583 749666564 /nfs/dbraw/zinc/66/65/64/749666564.db2.gz DWDJWMMNNYPRHR-RDJZCZTQSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cnc(C)nc1 ZINC001027942749 749667037 /nfs/dbraw/zinc/66/70/37/749667037.db2.gz GVKPTQRCTUBKFD-ROUUACIJSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnc(C)nc1 ZINC001027942749 749667043 /nfs/dbraw/zinc/66/70/43/749667043.db2.gz GVKPTQRCTUBKFD-ROUUACIJSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cnc(C)nc1 ZINC001027942749 749667048 /nfs/dbraw/zinc/66/70/48/749667048.db2.gz GVKPTQRCTUBKFD-ROUUACIJSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cnc(C)nc1 ZINC001027942749 749667055 /nfs/dbraw/zinc/66/70/55/749667055.db2.gz GVKPTQRCTUBKFD-ROUUACIJSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001004608690 749679850 /nfs/dbraw/zinc/67/98/50/749679850.db2.gz AVTBJNQYCLNPPC-ZWKOTPCHSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001004609409 749681696 /nfs/dbraw/zinc/68/16/96/749681696.db2.gz HQHXEBKJKLWNMQ-GJZGRUSLSA-N 1 1 346.431 0.311 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCCN3CC#N)CC2)C1 ZINC001004615551 749690230 /nfs/dbraw/zinc/69/02/30/749690230.db2.gz HPFSLNIENUQXIB-SJORKVTESA-N 1 1 334.464 0.934 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCCN3CC#N)CC2)C1 ZINC001004615551 749690235 /nfs/dbraw/zinc/69/02/35/749690235.db2.gz HPFSLNIENUQXIB-SJORKVTESA-N 1 1 334.464 0.934 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nccnc3N)[C@H]2C)C1=O ZINC001088497153 749993797 /nfs/dbraw/zinc/99/37/97/749993797.db2.gz JXHFAOCVHPPOTO-FRRDWIJNSA-N 1 1 344.419 0.038 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nccnc3N)[C@H]2C)C1=O ZINC001088497153 749993800 /nfs/dbraw/zinc/99/38/00/749993800.db2.gz JXHFAOCVHPPOTO-FRRDWIJNSA-N 1 1 344.419 0.038 20 30 ECEDMO COc1ccc(CN2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1C#N ZINC001030181163 762003921 /nfs/dbraw/zinc/00/39/21/762003921.db2.gz APUXXNHFBPWSFI-QGZVFWFLSA-N 1 1 344.415 0.198 20 30 ECEDMO COc1ccc(CN2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1C#N ZINC001030181163 762003928 /nfs/dbraw/zinc/00/39/28/762003928.db2.gz APUXXNHFBPWSFI-QGZVFWFLSA-N 1 1 344.415 0.198 20 30 ECEDMO Cc1cc(N(C)CCN(C)C(=O)CC[NH+]2CCOCC2)c(C#N)cn1 ZINC001105434010 750082297 /nfs/dbraw/zinc/08/22/97/750082297.db2.gz GCDUIIBSCCSLPB-UHFFFAOYSA-N 1 1 345.447 0.879 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058848397 750157222 /nfs/dbraw/zinc/15/72/22/750157222.db2.gz FGQUCGMXCJKDMI-HUUCEWRRSA-N 1 1 339.480 0.724 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC000986595292 750167614 /nfs/dbraw/zinc/16/76/14/750167614.db2.gz PNPHQYVHSVWGSE-XHSDSOJGSA-N 1 1 348.447 0.175 20 30 ECEDMO CC#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@H]1C(F)(F)F ZINC001112211992 750198400 /nfs/dbraw/zinc/19/84/00/750198400.db2.gz HOMOBPPCAFCPKL-GHMZBOCLSA-N 1 1 340.367 0.423 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001027993838 750249913 /nfs/dbraw/zinc/24/99/13/750249913.db2.gz BNZSWADKRWHKNT-NSHDSACASA-N 1 1 325.390 0.145 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001027993838 750249917 /nfs/dbraw/zinc/24/99/17/750249917.db2.gz BNZSWADKRWHKNT-NSHDSACASA-N 1 1 325.390 0.145 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)c1 ZINC001027994763 750265038 /nfs/dbraw/zinc/26/50/38/750265038.db2.gz WKVRNPIIVJEFKN-MRXNPFEDSA-N 1 1 331.416 0.712 20 30 ECEDMO CN1CCO[C@@H](C(=O)N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)C1 ZINC000980894627 750315571 /nfs/dbraw/zinc/31/55/71/750315571.db2.gz WPUGCRHVDDGWQP-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO CN1CCO[C@@H](C(=O)N2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)C1 ZINC000980894627 750315578 /nfs/dbraw/zinc/31/55/78/750315578.db2.gz WPUGCRHVDDGWQP-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[N@H+](C[C@@H](O)Cn3cccn3)CC2)c1 ZINC000980917260 750351688 /nfs/dbraw/zinc/35/16/88/750351688.db2.gz HVWSCSQGJFTJJA-OAHLLOKOSA-N 1 1 342.403 0.292 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000980917390 750352973 /nfs/dbraw/zinc/35/29/73/750352973.db2.gz MRRUWKZCXGRNBX-MRXNPFEDSA-N 1 1 341.415 0.821 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000980917390 750352980 /nfs/dbraw/zinc/35/29/80/750352980.db2.gz MRRUWKZCXGRNBX-MRXNPFEDSA-N 1 1 341.415 0.821 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001028008830 750355779 /nfs/dbraw/zinc/35/57/79/750355779.db2.gz DLTUEZJZXKVWDM-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC001005199957 750363276 /nfs/dbraw/zinc/36/32/76/750363276.db2.gz AVFDFFHGUXCBPC-INIZCTEOSA-N 1 1 345.447 0.662 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[N@H+](C[C@H](O)Cn3cccn3)CC2)[nH]1 ZINC000980978971 750416645 /nfs/dbraw/zinc/41/66/45/750416645.db2.gz GPHDXSADPPAQBA-HNNXBMFYSA-N 1 1 342.403 0.292 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccco2)C1 ZINC001005597834 750436254 /nfs/dbraw/zinc/43/62/54/750436254.db2.gz CYYUWOASAUBVLQ-HIFRSBDPSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccco2)C1 ZINC001005597834 750436256 /nfs/dbraw/zinc/43/62/56/750436256.db2.gz CYYUWOASAUBVLQ-HIFRSBDPSA-N 1 1 329.400 0.954 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(CCC)nn3)C2)nn1 ZINC001105351753 750465050 /nfs/dbraw/zinc/46/50/50/750465050.db2.gz HUFBRHMADYRKGQ-UHFFFAOYSA-N 1 1 330.396 0.252 20 30 ECEDMO CC(C)(C)c1nc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)n[nH]1 ZINC000263147548 750465419 /nfs/dbraw/zinc/46/54/19/750465419.db2.gz PASJEILWTQFONB-UHFFFAOYSA-N 1 1 343.439 0.529 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)[C@H]1CCNC1=O ZINC001028073856 750500751 /nfs/dbraw/zinc/50/07/51/750500751.db2.gz ZAPKPMPSFVBUJA-IRXDYDNUSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)[C@H]1CCNC1=O ZINC001028073856 750500757 /nfs/dbraw/zinc/50/07/57/750500757.db2.gz ZAPKPMPSFVBUJA-IRXDYDNUSA-N 1 1 343.402 0.894 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cc(C)no2)C1 ZINC001005690381 750529004 /nfs/dbraw/zinc/52/90/04/750529004.db2.gz CZEJRSMMVCQEQU-ZFWWWQNUSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cc(C)no2)C1 ZINC001005690381 750529007 /nfs/dbraw/zinc/52/90/07/750529007.db2.gz CZEJRSMMVCQEQU-ZFWWWQNUSA-N 1 1 344.415 0.657 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)[nH]3)[C@H]2C)nn1 ZINC000987171608 750545382 /nfs/dbraw/zinc/54/53/82/750545382.db2.gz XGJVBSSEWYPRNZ-YPMHNXCESA-N 1 1 344.423 0.674 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)C2=COCCC2)C1 ZINC001005788068 750637625 /nfs/dbraw/zinc/63/76/25/750637625.db2.gz VOGYGUHQWFJKSB-PBHICJAKSA-N 1 1 345.443 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)C2=COCCC2)C1 ZINC001005788068 750637628 /nfs/dbraw/zinc/63/76/28/750637628.db2.gz VOGYGUHQWFJKSB-PBHICJAKSA-N 1 1 345.443 0.741 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001059789928 750671308 /nfs/dbraw/zinc/67/13/08/750671308.db2.gz FHBINMSLZIZBIH-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001005945592 750830455 /nfs/dbraw/zinc/83/04/55/750830455.db2.gz NWBVYILSEXQAIU-BLLLJJGKSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3cnns3)[C@@H]2C)CC1 ZINC000987573153 750974771 /nfs/dbraw/zinc/97/47/71/750974771.db2.gz ZCSYSVNUONIKQD-XJKSGUPXSA-N 1 1 347.488 0.962 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3ccn(C)n3)[C@H]2C)CC1 ZINC000987575027 750977056 /nfs/dbraw/zinc/97/70/56/750977056.db2.gz HTTVUAGGINABNF-QAPCUYQASA-N 1 1 343.475 0.844 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)c2c[nH]c(C#N)c2)c(C)c(C)[nH+]1 ZINC001105830729 762085889 /nfs/dbraw/zinc/08/58/89/762085889.db2.gz KZHSFLMLNWIPMT-CQSZACIVSA-N 1 1 328.376 0.804 20 30 ECEDMO CN(C)C(=O)C[N@@H+]1CCCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000981722535 751003254 /nfs/dbraw/zinc/00/32/54/751003254.db2.gz YKPFUXVUVRNEOE-UHFFFAOYSA-N 1 1 329.404 0.513 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000981722535 751003261 /nfs/dbraw/zinc/00/32/61/751003261.db2.gz YKPFUXVUVRNEOE-UHFFFAOYSA-N 1 1 329.404 0.513 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@H]2CCNC2=O)C3)[nH]1 ZINC000981718472 751009046 /nfs/dbraw/zinc/00/90/46/751009046.db2.gz NVIVSUXBROGVMS-AWEZNQCLSA-N 1 1 327.388 0.313 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)C1=O ZINC000981722177 751013412 /nfs/dbraw/zinc/01/34/12/751013412.db2.gz NNIXTCIBECNLGI-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@]34CCOC4)C2)nn1 ZINC001105357955 751075747 /nfs/dbraw/zinc/07/57/47/751075747.db2.gz PGFKXPSXTAEJCN-NVXWUHKLSA-N 1 1 331.420 0.754 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@]34CCOC4)C2)nn1 ZINC001105357956 751077862 /nfs/dbraw/zinc/07/78/62/751077862.db2.gz PGFKXPSXTAEJCN-RDJZCZTQSA-N 1 1 331.420 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccns2)C1 ZINC001006200744 751114438 /nfs/dbraw/zinc/11/44/38/751114438.db2.gz NSHGLVHDZUWCCI-JSGCOSHPSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccns2)C1 ZINC001006200744 751114441 /nfs/dbraw/zinc/11/44/41/751114441.db2.gz NSHGLVHDZUWCCI-JSGCOSHPSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccns2)C1 ZINC001006200745 751114609 /nfs/dbraw/zinc/11/46/09/751114609.db2.gz NSHGLVHDZUWCCI-OCCSQVGLSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccns2)C1 ZINC001006200745 751114612 /nfs/dbraw/zinc/11/46/12/751114612.db2.gz NSHGLVHDZUWCCI-OCCSQVGLSA-N 1 1 346.456 0.817 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)N(C)C)c1 ZINC001028130156 751154688 /nfs/dbraw/zinc/15/46/88/751154688.db2.gz YWDQNIMWYCHKQP-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C)c1 ZINC001028130156 751154691 /nfs/dbraw/zinc/15/46/91/751154691.db2.gz YWDQNIMWYCHKQP-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)ccc1F ZINC001028140422 751193354 /nfs/dbraw/zinc/19/33/54/751193354.db2.gz OBXZCPIKFPLLCG-KFWWJZLASA-N 1 1 344.390 0.899 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)ccc1F ZINC001028140422 751193357 /nfs/dbraw/zinc/19/33/57/751193357.db2.gz OBXZCPIKFPLLCG-KFWWJZLASA-N 1 1 344.390 0.899 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(OCC(N)=O)cc3)C2)C1 ZINC000981880874 751233023 /nfs/dbraw/zinc/23/30/23/751233023.db2.gz IVDOPBYRXLTUIE-UHFFFAOYSA-N 1 1 341.411 0.722 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ncccn2)C1 ZINC001006318403 751240449 /nfs/dbraw/zinc/24/04/49/751240449.db2.gz IGJQBAJQDZVKQZ-ZFWWWQNUSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ncccn2)C1 ZINC001006318403 751240453 /nfs/dbraw/zinc/24/04/53/751240453.db2.gz IGJQBAJQDZVKQZ-ZFWWWQNUSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccc[nH]2)C1 ZINC001006318352 751240530 /nfs/dbraw/zinc/24/05/30/751240530.db2.gz HWUPMIZLNRUSPF-BBRMVZONSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccc[nH]2)C1 ZINC001006318352 751240533 /nfs/dbraw/zinc/24/05/33/751240533.db2.gz HWUPMIZLNRUSPF-BBRMVZONSA-N 1 1 328.416 0.689 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC000981913384 751272110 /nfs/dbraw/zinc/27/21/10/751272110.db2.gz PTHGMMIYVFWJRB-HNNXBMFYSA-N 1 1 341.415 0.313 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(-n4cncn4)nc3)C2)C1 ZINC000981927389 751282589 /nfs/dbraw/zinc/28/25/89/751282589.db2.gz QBEBTPKGQOFXDS-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)C3(n4cnnn4)CCCCC3)C2)C1 ZINC000981927383 751282826 /nfs/dbraw/zinc/28/28/26/751282826.db2.gz PSNNNCHLMYMRCU-UHFFFAOYSA-N 1 1 342.447 0.890 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3c(C)c(C)nn(C)c3=O)C2)C1 ZINC000981927930 751284144 /nfs/dbraw/zinc/28/41/44/751284144.db2.gz UQUZSEHTOOXTSV-UHFFFAOYSA-N 1 1 342.443 0.958 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001020945859 752372649 /nfs/dbraw/zinc/37/26/49/752372649.db2.gz YGHSBLXFQBKBBN-JOCQHMNTSA-N 1 1 341.371 0.836 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000988630463 752426154 /nfs/dbraw/zinc/42/61/54/752426154.db2.gz FDQQWDUIQKOXTD-SMDDNHRTSA-N 1 1 342.407 0.676 20 30 ECEDMO COCCN(CCNC(=O)C[N@@H+](C)C(C)C)c1ncccc1C#N ZINC001126361308 752445355 /nfs/dbraw/zinc/44/53/55/752445355.db2.gz ZLOLKAFWYIGVSL-UHFFFAOYSA-N 1 1 333.436 0.862 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ncccc3OC)C2)nn1 ZINC001105368414 752469109 /nfs/dbraw/zinc/46/91/09/752469109.db2.gz VMRCFRWLOWQEKW-UHFFFAOYSA-N 1 1 328.376 0.654 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2[nH]cnc2C)C1=O ZINC001028353585 752473784 /nfs/dbraw/zinc/47/37/84/752473784.db2.gz YLHPHWDMGJCVSZ-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2[nH]cnc2C)C1=O ZINC001028353585 752473787 /nfs/dbraw/zinc/47/37/87/752473787.db2.gz YLHPHWDMGJCVSZ-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001059911887 752474432 /nfs/dbraw/zinc/47/44/32/752474432.db2.gz RNYUZBPCIBWLBF-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001059911887 752474439 /nfs/dbraw/zinc/47/44/39/752474439.db2.gz RNYUZBPCIBWLBF-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nncs2)C1 ZINC001007519400 752475312 /nfs/dbraw/zinc/47/53/12/752475312.db2.gz QHTLRONSESUKGZ-KBPBESRZSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nncs2)C1 ZINC001007519400 752475319 /nfs/dbraw/zinc/47/53/19/752475319.db2.gz QHTLRONSESUKGZ-KBPBESRZSA-N 1 1 333.461 0.716 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC[C@](C)(O)c1ccsc1 ZINC000261707296 752524864 /nfs/dbraw/zinc/52/48/64/752524864.db2.gz DLDCDEBDPLDSCF-ZBFHGGJFSA-N 1 1 337.493 0.120 20 30 ECEDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](Cc1ccccc1C#N)C2 ZINC000982502162 752589221 /nfs/dbraw/zinc/58/92/21/752589221.db2.gz BILGABQITPJVOZ-HDICACEKSA-N 1 1 326.400 0.714 20 30 ECEDMO N#Cc1nccc(N[C@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001058986765 752617414 /nfs/dbraw/zinc/61/74/14/752617414.db2.gz KFLIZQGIKJJQCY-QWHCGFSZSA-N 1 1 337.387 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2C)[C@@H]1C ZINC000988737525 752636217 /nfs/dbraw/zinc/63/62/17/752636217.db2.gz AMYQWCNOCJPOPF-ILXRZTDVSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2C)[C@@H]1C ZINC000988737525 752636223 /nfs/dbraw/zinc/63/62/23/752636223.db2.gz AMYQWCNOCJPOPF-ILXRZTDVSA-N 1 1 343.431 0.535 20 30 ECEDMO CC#CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098645422 752703371 /nfs/dbraw/zinc/70/33/71/752703371.db2.gz LWSXAFQHBOXXDZ-HZPDHXFCSA-N 1 1 330.436 0.259 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001212081510 752715631 /nfs/dbraw/zinc/71/56/31/752715631.db2.gz NNDOGJSEZDPNRY-HZPDHXFCSA-N 1 1 332.404 0.742 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001212081510 752715639 /nfs/dbraw/zinc/71/56/39/752715639.db2.gz NNDOGJSEZDPNRY-HZPDHXFCSA-N 1 1 332.404 0.742 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000938038860 752729052 /nfs/dbraw/zinc/72/90/52/752729052.db2.gz GUDXMSYOLPWWSO-HZSPNIEDSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](C)SC)C1 ZINC000988772086 752742920 /nfs/dbraw/zinc/74/29/20/752742920.db2.gz MHOTWGJXAKKNKA-ILXRZTDVSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](C)SC)C1 ZINC000988772086 752742923 /nfs/dbraw/zinc/74/29/23/752742923.db2.gz MHOTWGJXAKKNKA-ILXRZTDVSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 ZINC000988772062 752743001 /nfs/dbraw/zinc/74/30/01/752743001.db2.gz MTTFLGHQNVIQLX-BBWFWOEESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 ZINC000988772062 752743004 /nfs/dbraw/zinc/74/30/04/752743004.db2.gz MTTFLGHQNVIQLX-BBWFWOEESA-N 1 1 347.459 0.760 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)c1 ZINC001028468680 752765196 /nfs/dbraw/zinc/76/51/96/752765196.db2.gz AWNNLNDZNPYDKF-CQSZACIVSA-N 1 1 343.431 0.951 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)c[nH]1 ZINC001028488723 752823994 /nfs/dbraw/zinc/82/39/94/752823994.db2.gz FYNBVXNSBCEGPV-CYBMUJFWSA-N 1 1 343.431 0.997 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028488756 752824158 /nfs/dbraw/zinc/82/41/58/752824158.db2.gz HJLHHFTXPJCXOP-CQSZACIVSA-N 1 1 341.419 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C)ncn3)C2)C1=O ZINC001028488530 752824871 /nfs/dbraw/zinc/82/48/71/752824871.db2.gz NIDSRBDHHBQIAR-GOEBONIOSA-N 1 1 343.431 0.624 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001028490609 752831353 /nfs/dbraw/zinc/83/13/53/752831353.db2.gz MTWPPGCXXZRIAN-QZTJIDSGSA-N 1 1 342.443 0.827 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cc1=O ZINC001028491455 752834696 /nfs/dbraw/zinc/83/46/96/752834696.db2.gz YRKKEAHSLFPMDL-AWEZNQCLSA-N 1 1 339.399 0.837 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)c[nH]1 ZINC001028491536 752834841 /nfs/dbraw/zinc/83/48/41/752834841.db2.gz AJHOVPIRBINIIZ-IUODEOHRSA-N 1 1 339.403 0.717 20 30 ECEDMO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028491727 752836247 /nfs/dbraw/zinc/83/62/47/752836247.db2.gz IWJVOZUSNSGBAT-RYUDHWBXSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@@H](c1nncn1C)[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028491727 752836258 /nfs/dbraw/zinc/83/62/58/752836258.db2.gz IWJVOZUSNSGBAT-RYUDHWBXSA-N 1 1 327.392 0.828 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000982546641 752859780 /nfs/dbraw/zinc/85/97/80/752859780.db2.gz MWNBIDLPOSUJGD-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000982546937 752860991 /nfs/dbraw/zinc/86/09/91/752860991.db2.gz NKHCKLNQNIFALB-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)C1CS(=O)(=O)C1 ZINC000988878854 752987166 /nfs/dbraw/zinc/98/71/66/752987166.db2.gz MKHFEBXGORRQPP-BLLLJJGKSA-N 1 1 347.440 0.682 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3sccn3c2=O)C1 ZINC001007851122 752991653 /nfs/dbraw/zinc/99/16/53/752991653.db2.gz PFZCHHZFPZBJAW-GFCCVEGCSA-N 1 1 330.413 0.974 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000982606472 753033601 /nfs/dbraw/zinc/03/36/01/753033601.db2.gz GOWFGXDIHHXVDC-JSGCOSHPSA-N 1 1 329.404 0.416 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccn[nH]2)C(C)(C)C1 ZINC001007926858 753084513 /nfs/dbraw/zinc/08/45/13/753084513.db2.gz OMEZQWJILGCIRB-LSDHHAIUSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccn[nH]2)C(C)(C)C1 ZINC001007926858 753084518 /nfs/dbraw/zinc/08/45/18/753084518.db2.gz OMEZQWJILGCIRB-LSDHHAIUSA-N 1 1 343.431 0.474 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC001008018484 753202689 /nfs/dbraw/zinc/20/26/89/753202689.db2.gz XVIQULYWEXNOOD-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001008052769 753244099 /nfs/dbraw/zinc/24/40/99/753244099.db2.gz OXVWWFICMZKMTB-CYBMUJFWSA-N 1 1 325.376 0.275 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1 ZINC001008179852 753429640 /nfs/dbraw/zinc/42/96/40/753429640.db2.gz XYOBYHDLHHVHHM-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001008229583 753486682 /nfs/dbraw/zinc/48/66/82/753486682.db2.gz LHRCMVILVYUVJL-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001008229583 753486684 /nfs/dbraw/zinc/48/66/84/753486684.db2.gz LHRCMVILVYUVJL-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982783902 753551397 /nfs/dbraw/zinc/55/13/97/753551397.db2.gz YQLWMZQJKBSRCD-XWIAVFTESA-N 1 1 346.431 0.168 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 ZINC001098680908 753595335 /nfs/dbraw/zinc/59/53/35/753595335.db2.gz LHRNGNDDYJVFEV-HZPDHXFCSA-N 1 1 345.451 0.539 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C3CCN(C(N)=O)CC3)C[C@@]2(C)C1 ZINC000982793277 753609147 /nfs/dbraw/zinc/60/91/47/753609147.db2.gz UCKUHCDFSMKSQS-HDICACEKSA-N 1 1 332.448 0.581 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC001008338446 753631231 /nfs/dbraw/zinc/63/12/31/753631231.db2.gz FGOBNWZGWGNBPD-HNNXBMFYSA-N 1 1 328.416 0.958 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)cc1 ZINC001083349964 753636693 /nfs/dbraw/zinc/63/66/93/753636693.db2.gz ZKKNBXBDBLXGEO-CVEARBPZSA-N 1 1 341.371 0.287 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)cc1 ZINC001083349964 753636697 /nfs/dbraw/zinc/63/66/97/753636697.db2.gz ZKKNBXBDBLXGEO-CVEARBPZSA-N 1 1 341.371 0.287 20 30 ECEDMO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001059969955 753681465 /nfs/dbraw/zinc/68/14/65/753681465.db2.gz RUMABYQSQIZAQA-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 ZINC001098683258 753694670 /nfs/dbraw/zinc/69/46/70/753694670.db2.gz VPTHCXLUQVKAKM-HOTGVXAUSA-N 1 1 345.451 0.539 20 30 ECEDMO CN(CCN(C)c1cncc(C#N)n1)C(=O)c1cc(C[NH+](C)C)on1 ZINC001105500015 753750696 /nfs/dbraw/zinc/75/06/96/753750696.db2.gz OOINRDURPUTRKZ-UHFFFAOYSA-N 1 1 343.391 0.606 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCCC3=O)C2)c1 ZINC001008468014 753770362 /nfs/dbraw/zinc/77/03/62/753770362.db2.gz IGVDBYXGUJNNPU-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001008468014 753770363 /nfs/dbraw/zinc/77/03/63/753770363.db2.gz IGVDBYXGUJNNPU-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1)C1CCC1 ZINC001083390311 753776130 /nfs/dbraw/zinc/77/61/30/753776130.db2.gz LKHSYJGWKLGFMQ-OWCLPIDISA-N 1 1 332.404 0.476 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001008488535 753799525 /nfs/dbraw/zinc/79/95/25/753799525.db2.gz SAYZMFUFBGCHOY-NSHDSACASA-N 1 1 341.437 0.218 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2cnc(C#N)cn2)C1 ZINC001105532234 753801255 /nfs/dbraw/zinc/80/12/55/753801255.db2.gz UCTWZWFSWSJDBL-HNNXBMFYSA-N 1 1 346.435 0.352 20 30 ECEDMO C=C[C@H](C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1)c1ccccc1 ZINC001105375865 753838884 /nfs/dbraw/zinc/83/88/84/753838884.db2.gz SDPAVORVPDPZCG-KRWDZBQOSA-N 1 1 341.415 0.713 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@@]2(C)C1 ZINC000982818182 753847763 /nfs/dbraw/zinc/84/77/63/753847763.db2.gz YTIYGSBNLKFUOV-QRQLOZEOSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H]2C[N@H+](Cc3cnns3)C[C@@]2(C)C1 ZINC001101236032 753855180 /nfs/dbraw/zinc/85/51/80/753855180.db2.gz JLIWJPKZAYDYIH-CJNGLKHVSA-N 1 1 334.445 0.858 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H]2C[N@@H+](Cc3cnns3)C[C@@]2(C)C1 ZINC001101236032 753855183 /nfs/dbraw/zinc/85/51/83/753855183.db2.gz JLIWJPKZAYDYIH-CJNGLKHVSA-N 1 1 334.445 0.858 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ncc(C)cn2)C1 ZINC001028601421 753880832 /nfs/dbraw/zinc/88/08/32/753880832.db2.gz OACYMZXNPIHNRO-IRXDYDNUSA-N 1 1 341.459 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ncc(C)cn2)C1 ZINC001028601421 753880837 /nfs/dbraw/zinc/88/08/37/753880837.db2.gz OACYMZXNPIHNRO-IRXDYDNUSA-N 1 1 341.459 0.821 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nc(C)no2)C1 ZINC001028601440 753881430 /nfs/dbraw/zinc/88/14/30/753881430.db2.gz OHXBSNNCCBPWHB-GJZGRUSLSA-N 1 1 331.420 0.414 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nc(C)no2)C1 ZINC001028601440 753881437 /nfs/dbraw/zinc/88/14/37/753881437.db2.gz OHXBSNNCCBPWHB-GJZGRUSLSA-N 1 1 331.420 0.414 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4nnc(C)n4C3)C[C@@]2(C)C1 ZINC000982832074 753887003 /nfs/dbraw/zinc/88/70/03/753887003.db2.gz UFBSNJQRQWIUCQ-ZYSHUDEJSA-N 1 1 341.459 0.953 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001028603838 753902085 /nfs/dbraw/zinc/90/20/85/753902085.db2.gz JHYIBAIZHVGFPG-CVEARBPZSA-N 1 1 327.432 0.907 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001008570551 753922952 /nfs/dbraw/zinc/92/29/52/753922952.db2.gz LBOPQGKVEKYDLJ-JKSUJKDBSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001008570551 753922957 /nfs/dbraw/zinc/92/29/57/753922957.db2.gz LBOPQGKVEKYDLJ-JKSUJKDBSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cn(C)nn3)C[C@H]2C)nn1 ZINC000989543506 754092224 /nfs/dbraw/zinc/09/22/24/754092224.db2.gz LTSRZEOJTYGIDC-CHWSQXEVSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001008811250 754142848 /nfs/dbraw/zinc/14/28/48/754142848.db2.gz QVWHNBQOCHDRKY-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001008811250 754142852 /nfs/dbraw/zinc/14/28/52/754142852.db2.gz QVWHNBQOCHDRKY-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001008811257 754142976 /nfs/dbraw/zinc/14/29/76/754142976.db2.gz QVWHNBQOCHDRKY-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001008811257 754142980 /nfs/dbraw/zinc/14/29/80/754142980.db2.gz QVWHNBQOCHDRKY-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)c1ncccn1 ZINC001051523622 762274127 /nfs/dbraw/zinc/27/41/27/762274127.db2.gz HUVIEMUSMGMICV-OCCSQVGLSA-N 1 1 340.387 0.868 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001028647085 754180548 /nfs/dbraw/zinc/18/05/48/754180548.db2.gz DYXODDUEZWFGOH-NEPJUHHUSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001028647085 754180553 /nfs/dbraw/zinc/18/05/53/754180553.db2.gz DYXODDUEZWFGOH-NEPJUHHUSA-N 1 1 344.253 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccncn2)C1 ZINC000982922023 754204008 /nfs/dbraw/zinc/20/40/08/754204008.db2.gz IZGIEQQUZRWXFH-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccncn2)C1 ZINC000982922023 754204018 /nfs/dbraw/zinc/20/40/18/754204018.db2.gz IZGIEQQUZRWXFH-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccccn2)C1 ZINC000982923984 754208191 /nfs/dbraw/zinc/20/81/91/754208191.db2.gz SPHVOGKTVAMIFI-RDJZCZTQSA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccccn2)C1 ZINC000982923984 754208196 /nfs/dbraw/zinc/20/81/96/754208196.db2.gz SPHVOGKTVAMIFI-RDJZCZTQSA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccnn2C)C1 ZINC000982924483 754209176 /nfs/dbraw/zinc/20/91/76/754209176.db2.gz XYLMBHZMEYXZIE-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccnn2C)C1 ZINC000982924483 754209182 /nfs/dbraw/zinc/20/91/82/754209182.db2.gz XYLMBHZMEYXZIE-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO Cc1nsc(NC[C@H](O)CNC(=O)Cn2cc[nH+]c2C)c1C#N ZINC001105866983 762280069 /nfs/dbraw/zinc/28/00/69/762280069.db2.gz OSHFCZYZJMPWCX-LLVKDONJSA-N 1 1 334.405 0.417 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000982955257 754285685 /nfs/dbraw/zinc/28/56/85/754285685.db2.gz AFUIVUYKPNPQHS-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001008923826 754316542 /nfs/dbraw/zinc/31/65/42/754316542.db2.gz RLZCVBQMYXOSAY-HGTKMLMNSA-N 1 1 341.415 0.415 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000982995271 754381183 /nfs/dbraw/zinc/38/11/83/754381183.db2.gz QQQGHILLJKTMHB-ZDUSSCGKSA-N 1 1 340.387 0.670 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028659846 754385561 /nfs/dbraw/zinc/38/55/61/754385561.db2.gz YMDAPJLDGDIAQK-LBPRGKRZSA-N 1 1 341.433 0.945 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)nn1 ZINC001105376985 754448598 /nfs/dbraw/zinc/44/85/98/754448598.db2.gz NWGBHMKSWFJCKQ-HUUCEWRRSA-N 1 1 344.463 0.647 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001105872971 762318865 /nfs/dbraw/zinc/31/88/65/762318865.db2.gz GOXYORWWUYGYNW-GJZGRUSLSA-N 1 1 331.420 0.717 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1cc(C)ncc1C#N ZINC001105873202 762319487 /nfs/dbraw/zinc/31/94/87/762319487.db2.gz NLHQDOGECLWXGH-WBVHZDCISA-N 1 1 345.447 0.447 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001105873139 762320015 /nfs/dbraw/zinc/32/00/15/762320015.db2.gz LDOBRJIDCDOSHM-KBPBESRZSA-N 1 1 332.408 0.112 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCCC3=O)C2)cn1 ZINC001009273175 754729941 /nfs/dbraw/zinc/72/99/41/754729941.db2.gz DGBARYBSYJIOCI-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)cn1 ZINC001009273175 754729944 /nfs/dbraw/zinc/72/99/44/754729944.db2.gz DGBARYBSYJIOCI-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001009273308 754730169 /nfs/dbraw/zinc/73/01/69/754730169.db2.gz FDOZXHDHXWDAQS-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001009273308 754730174 /nfs/dbraw/zinc/73/01/74/754730174.db2.gz FDOZXHDHXWDAQS-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001009275697 754733087 /nfs/dbraw/zinc/73/30/87/754733087.db2.gz NEUYVNPWQFGIHZ-JKSUJKDBSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001009275697 754733091 /nfs/dbraw/zinc/73/30/91/754733091.db2.gz NEUYVNPWQFGIHZ-JKSUJKDBSA-N 1 1 326.400 0.536 20 30 ECEDMO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccn[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105611510 754740843 /nfs/dbraw/zinc/74/08/43/754740843.db2.gz SCZGWQWMMDGAOZ-PSBWJHGTSA-N 1 1 344.459 0.942 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC000983176925 754783954 /nfs/dbraw/zinc/78/39/54/754783954.db2.gz FBRXHJDFCYKALW-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC000983176925 754783955 /nfs/dbraw/zinc/78/39/55/754783955.db2.gz FBRXHJDFCYKALW-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001028711443 754792436 /nfs/dbraw/zinc/79/24/36/754792436.db2.gz BAGFPKQCERNNJA-KGLIPLIRSA-N 1 1 331.407 0.967 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001028711444 754792727 /nfs/dbraw/zinc/79/27/27/754792727.db2.gz BAGFPKQCERNNJA-UONOGXRCSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)oc2C)C1 ZINC000990210111 754840178 /nfs/dbraw/zinc/84/01/78/754840178.db2.gz LCYJNBCITJNJPQ-INIZCTEOSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)oc2C)C1 ZINC000990210111 754840182 /nfs/dbraw/zinc/84/01/82/754840182.db2.gz LCYJNBCITJNJPQ-INIZCTEOSA-N 1 1 329.400 0.935 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)cc1 ZINC001028730574 754889049 /nfs/dbraw/zinc/88/90/49/754889049.db2.gz MJKJNWVVYQOBFH-MRXNPFEDSA-N 1 1 325.412 0.952 20 30 ECEDMO N#Cc1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nncs3)C2)c[nH]1 ZINC001051563218 762345572 /nfs/dbraw/zinc/34/55/72/762345572.db2.gz PZVIMRRWXWYYPD-LBPRGKRZSA-N 1 1 332.389 0.369 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1)c1ncccn1 ZINC001051563231 762345880 /nfs/dbraw/zinc/34/58/80/762345880.db2.gz QLEZHWZYRXACAR-SWLSCSKDSA-N 1 1 340.387 0.868 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990289284 754927143 /nfs/dbraw/zinc/92/71/43/754927143.db2.gz OZHJISLUDIVCFX-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO CCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC001051563665 762346724 /nfs/dbraw/zinc/34/67/24/762346724.db2.gz SWTDOZXSLNGHTE-AWEZNQCLSA-N 1 1 343.391 0.129 20 30 ECEDMO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1=O ZINC001028749579 754965510 /nfs/dbraw/zinc/96/55/10/754965510.db2.gz LGKUZSYLIVSIBM-YOEHRIQHSA-N 1 1 340.427 0.975 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000983269737 755030974 /nfs/dbraw/zinc/03/09/74/755030974.db2.gz USXDFXVVARYPBG-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC001075948794 755045341 /nfs/dbraw/zinc/04/53/41/755045341.db2.gz IXTIVNRZOZNRCC-GOEBONIOSA-N 1 1 328.416 0.832 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 ZINC001028773620 755062029 /nfs/dbraw/zinc/06/20/29/755062029.db2.gz NFEHLGAWHQYKCU-WFASDCNBSA-N 1 1 345.378 0.317 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnnc3C)[C@H]2C)C1=O ZINC001088709583 755077229 /nfs/dbraw/zinc/07/72/29/755077229.db2.gz JHCFSIXPPGPSOW-KBMXLJTQSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnnc3C)[C@H]2C)C1=O ZINC001088709583 755077235 /nfs/dbraw/zinc/07/72/35/755077235.db2.gz JHCFSIXPPGPSOW-KBMXLJTQSA-N 1 1 343.431 0.765 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000983307836 755125313 /nfs/dbraw/zinc/12/53/13/755125313.db2.gz YBTBZUXMYKYYJV-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001028795350 755150052 /nfs/dbraw/zinc/15/00/52/755150052.db2.gz YLWFGHRHHIYIMV-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1C ZINC001088713970 755157287 /nfs/dbraw/zinc/15/72/87/755157287.db2.gz UODBISXIEKNKKH-ZBFHGGJFSA-N 1 1 332.448 0.977 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1C ZINC001088713970 755157290 /nfs/dbraw/zinc/15/72/90/755157290.db2.gz UODBISXIEKNKKH-ZBFHGGJFSA-N 1 1 332.448 0.977 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001028799918 755163886 /nfs/dbraw/zinc/16/38/86/755163886.db2.gz KHBAIWFNGJDAHN-HRCADAONSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@@H](O)C1 ZINC001083468329 755177556 /nfs/dbraw/zinc/17/75/56/755177556.db2.gz SJSGJXHBDYHFTM-VQHPVUNQSA-N 1 1 344.459 0.891 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(N)=O)cs3)C2)nn1 ZINC001105378777 755178380 /nfs/dbraw/zinc/17/83/80/755178380.db2.gz JHSQUQAMFOYCRH-UHFFFAOYSA-N 1 1 346.416 0.411 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)c[nH]1 ZINC001075709722 755194425 /nfs/dbraw/zinc/19/44/25/755194425.db2.gz PAXXAVYKWHMIAM-SWLSCSKDSA-N 1 1 325.376 0.324 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnc3sccn3c2=O)[C@H]1C ZINC001088719901 755216762 /nfs/dbraw/zinc/21/67/62/755216762.db2.gz OSBJPCRJGMXLNY-YPMHNXCESA-N 1 1 330.413 0.972 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnnn3CC)C2)nn1 ZINC001028852294 755309571 /nfs/dbraw/zinc/30/95/71/755309571.db2.gz IJOOPEYTZVRNNL-ZDUSSCGKSA-N 1 1 344.423 0.327 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnnn3CC)C2)nn1 ZINC001028852294 755309577 /nfs/dbraw/zinc/30/95/77/755309577.db2.gz IJOOPEYTZVRNNL-ZDUSSCGKSA-N 1 1 344.423 0.327 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)nn1 ZINC001028853133 755315566 /nfs/dbraw/zinc/31/55/66/755315566.db2.gz PTCUHZAGXLMKHA-CQSZACIVSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001028858420 755324956 /nfs/dbraw/zinc/32/49/56/755324956.db2.gz QRVIYQSDRBKBHJ-JSGCOSHPSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3cncnc3)C2)nn1 ZINC001098690808 755327322 /nfs/dbraw/zinc/32/73/22/755327322.db2.gz SZGXICXBNAKCBV-INIZCTEOSA-N 1 1 341.419 0.750 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4ncc[nH]4)CCC[C@H]23)C1=O ZINC000990589287 755456456 /nfs/dbraw/zinc/45/64/56/755456456.db2.gz NSNAWNMQGCZZEX-DEYYWGMASA-N 1 1 343.431 0.923 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC001088750694 755484790 /nfs/dbraw/zinc/48/47/90/755484790.db2.gz BWSSRGQGRRLIIV-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC001075962454 755489120 /nfs/dbraw/zinc/48/91/20/755489120.db2.gz LJXUOTMMJVNPBC-WCQYABFASA-N 1 1 337.401 0.097 20 30 ECEDMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010102317 755651331 /nfs/dbraw/zinc/65/13/31/755651331.db2.gz CEGXXATXDVCFCR-OAHLLOKOSA-N 1 1 344.806 0.569 20 30 ECEDMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010102317 755651332 /nfs/dbraw/zinc/65/13/32/755651332.db2.gz CEGXXATXDVCFCR-OAHLLOKOSA-N 1 1 344.806 0.569 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2COc3ccccc3O2)[C@@H](O)C1 ZINC001083494159 755696679 /nfs/dbraw/zinc/69/66/79/755696679.db2.gz MHMLARDQARPMAP-ZNMIVQPWSA-N 1 1 330.384 0.401 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2COc3ccccc3O2)[C@@H](O)C1 ZINC001083494159 755696681 /nfs/dbraw/zinc/69/66/81/755696681.db2.gz MHMLARDQARPMAP-ZNMIVQPWSA-N 1 1 330.384 0.401 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)[C@@H](O)C1 ZINC001083509224 755780080 /nfs/dbraw/zinc/78/00/80/755780080.db2.gz VLRPUGOJBKPUHZ-KSZLIROESA-N 1 1 328.412 0.910 20 30 ECEDMO C=CCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CC)CC1 ZINC001105673269 755794369 /nfs/dbraw/zinc/79/43/69/755794369.db2.gz JEXLIHBHZBHPTM-CALCHBBNSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cccc(C)n3)C2)C1=O ZINC001010230931 755846848 /nfs/dbraw/zinc/84/68/48/755846848.db2.gz XJNPAQQTPHANSH-GDBMZVCRSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cccc(C)n3)C2)C1=O ZINC001010230931 755846851 /nfs/dbraw/zinc/84/68/51/755846851.db2.gz XJNPAQQTPHANSH-GDBMZVCRSA-N 1 1 328.416 0.981 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)[C@@H](O)C1 ZINC001083530444 755950438 /nfs/dbraw/zinc/95/04/38/755950438.db2.gz NQCLZQKRBNTTFK-NXHRZFHOSA-N 1 1 328.412 0.910 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001051598107 762432164 /nfs/dbraw/zinc/43/21/64/762432164.db2.gz MFKCBLFDUURZKK-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)[C@@H](O)C1 ZINC001083538063 755986470 /nfs/dbraw/zinc/98/64/70/755986470.db2.gz FAJMPLGXELJOOP-NCOADZHNSA-N 1 1 347.459 0.352 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)[C@@H](O)C1 ZINC001083538063 755986473 /nfs/dbraw/zinc/98/64/73/755986473.db2.gz FAJMPLGXELJOOP-NCOADZHNSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1 ZINC001076012589 755994352 /nfs/dbraw/zinc/99/43/52/755994352.db2.gz OEDLGXSPHRZXDX-GOEBONIOSA-N 1 1 327.384 0.330 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)c1 ZINC001010457138 756150961 /nfs/dbraw/zinc/15/09/61/756150961.db2.gz JSBTVLCHIPTWQE-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)c1 ZINC001010457138 756150966 /nfs/dbraw/zinc/15/09/66/756150966.db2.gz JSBTVLCHIPTWQE-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4conc4C)[C@@H]3C2)C1=O ZINC001076202339 756206634 /nfs/dbraw/zinc/20/66/34/756206634.db2.gz DYYNXYADPADBLD-CWRNSKLLSA-N 1 1 344.415 0.916 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)[nH]1 ZINC000990867653 756436252 /nfs/dbraw/zinc/43/62/52/756436252.db2.gz FRQOXNYUJHKWHY-ZBFHGGJFSA-N 1 1 341.415 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)[C@H](C)OC)C2 ZINC001010721999 756442755 /nfs/dbraw/zinc/44/27/55/756442755.db2.gz ITXQXCAZGWFQHM-HOTGVXAUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)[C@H](C)OC)C2 ZINC001010721999 756442759 /nfs/dbraw/zinc/44/27/59/756442759.db2.gz ITXQXCAZGWFQHM-HOTGVXAUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnn(CC)n1 ZINC001076382081 756445285 /nfs/dbraw/zinc/44/52/85/756445285.db2.gz BHQLFJFFEVCEGI-ZFWWWQNUSA-N 1 1 346.435 0.020 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnn(CC)n1 ZINC001076382081 756445289 /nfs/dbraw/zinc/44/52/89/756445289.db2.gz BHQLFJFFEVCEGI-ZFWWWQNUSA-N 1 1 346.435 0.020 20 30 ECEDMO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001076428836 756498632 /nfs/dbraw/zinc/49/86/32/756498632.db2.gz MGISHMDDSXODOM-GOEBONIOSA-N 1 1 345.447 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc(C)nn1 ZINC001076440533 756518783 /nfs/dbraw/zinc/51/87/83/756518783.db2.gz NYCSGLLNWXTHLH-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc(C)nn1 ZINC001076440533 756518786 /nfs/dbraw/zinc/51/87/86/756518786.db2.gz NYCSGLLNWXTHLH-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001010835539 756582273 /nfs/dbraw/zinc/58/22/73/756582273.db2.gz JBHKPOXISCGWNH-GJZGRUSLSA-N 1 1 332.448 0.939 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1C#N ZINC001010841010 756589847 /nfs/dbraw/zinc/58/98/47/756589847.db2.gz MDDADXUROAXBPM-KGLIPLIRSA-N 1 1 344.371 0.366 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1C#N ZINC001010841010 756589850 /nfs/dbraw/zinc/58/98/50/756589850.db2.gz MDDADXUROAXBPM-KGLIPLIRSA-N 1 1 344.371 0.366 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001076516844 756593074 /nfs/dbraw/zinc/59/30/74/756593074.db2.gz GKEBJGWMLQRVTN-GVDBMIGSSA-N 1 1 335.448 0.733 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cncn4)[C@@H]3C2)c1 ZINC001076536812 756621017 /nfs/dbraw/zinc/62/10/17/756621017.db2.gz FZAIMGCIFXDHMD-DLBZAZTESA-N 1 1 336.399 0.883 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1c1ccnc(C#N)n1 ZINC001060124277 756622787 /nfs/dbraw/zinc/62/27/87/756622787.db2.gz XIYRBTBFRFVSJK-UONOGXRCSA-N 1 1 328.420 0.918 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC001010877610 756633928 /nfs/dbraw/zinc/63/39/28/756633928.db2.gz XSKYUNVZFPHWHV-QGZVFWFLSA-N 1 1 341.411 0.283 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC001010877610 756633930 /nfs/dbraw/zinc/63/39/30/756633930.db2.gz XSKYUNVZFPHWHV-QGZVFWFLSA-N 1 1 341.411 0.283 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)[C@@H]2C1 ZINC001076556489 756652228 /nfs/dbraw/zinc/65/22/28/756652228.db2.gz MFYGYIGWTTZRKF-DZGCQCFKSA-N 1 1 325.368 0.760 20 30 ECEDMO C[N@@H+](CC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)C1CCC1 ZINC001010925217 756674424 /nfs/dbraw/zinc/67/44/24/756674424.db2.gz KSOIBESCIZBOMN-UHFFFAOYSA-N 1 1 329.404 0.655 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001076577118 756689065 /nfs/dbraw/zinc/68/90/65/756689065.db2.gz PZJQNIRDLZDMED-ZDUSSCGKSA-N 1 1 348.451 0.573 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990894411 756740083 /nfs/dbraw/zinc/74/00/83/756740083.db2.gz WRUFDDBWHCFHPZ-JTQLQIEISA-N 1 1 326.360 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001011006565 756756011 /nfs/dbraw/zinc/75/60/11/756756011.db2.gz NDCFKNUOHAKDJW-JKSUJKDBSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001011006565 756756017 /nfs/dbraw/zinc/75/60/17/756756017.db2.gz NDCFKNUOHAKDJW-JKSUJKDBSA-N 1 1 333.432 0.324 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc(-n4cncn4)c3)[C@@H]2C1 ZINC001076634851 756765258 /nfs/dbraw/zinc/76/52/58/756765258.db2.gz AYSJIFUVLIYSJI-JKSUJKDBSA-N 1 1 336.399 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](OCC)C1CC1 ZINC001076647931 756778458 /nfs/dbraw/zinc/77/84/58/756778458.db2.gz AYAHKTSNHCOZMM-BHYGNILZSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](OCC)C1CC1 ZINC001076647931 756778461 /nfs/dbraw/zinc/77/84/61/756778461.db2.gz AYAHKTSNHCOZMM-BHYGNILZSA-N 1 1 349.475 0.910 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)CC1 ZINC001088835105 756829824 /nfs/dbraw/zinc/82/98/24/756829824.db2.gz DYUUAIGIMLREFY-OCCSQVGLSA-N 1 1 333.436 0.934 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)c[nH]1 ZINC000990935086 756908364 /nfs/dbraw/zinc/90/83/64/756908364.db2.gz IWOSUEINOOCZIO-CQSZACIVSA-N 1 1 338.371 0.601 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1 ZINC001076748403 756959075 /nfs/dbraw/zinc/95/90/75/756959075.db2.gz WSCUSIVBUSDYAG-BFHYXJOUSA-N 1 1 348.451 0.429 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048778602 756964829 /nfs/dbraw/zinc/96/48/29/756964829.db2.gz DYAHBAIJWILDEM-BNOWGMLFSA-N 1 1 341.415 0.557 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)cc1 ZINC000996117217 756982423 /nfs/dbraw/zinc/98/24/23/756982423.db2.gz XAUYZAYTSNPJMI-OAHLLOKOSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)cc1 ZINC000996117215 756983006 /nfs/dbraw/zinc/98/30/06/756983006.db2.gz XAUYZAYTSNPJMI-HNNXBMFYSA-N 1 1 338.415 0.832 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NC(=O)CSCC#N)CC[N@H+]1C ZINC001076751659 756987827 /nfs/dbraw/zinc/98/78/27/756987827.db2.gz ZLFMIKGEMXQCMU-MELADBBJSA-N 1 1 340.493 0.984 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@H]3C2)cc1 ZINC001048796090 757024921 /nfs/dbraw/zinc/02/49/21/757024921.db2.gz CCDWQJGWEBBEEB-XHSDSOJGSA-N 1 1 340.383 0.557 20 30 ECEDMO N#CCSCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001111600536 762513296 /nfs/dbraw/zinc/51/32/96/762513296.db2.gz XKITXNQXSSUKCP-XEZPLFJOSA-N 1 1 336.461 0.492 20 30 ECEDMO CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)C1=O ZINC001048812422 757072985 /nfs/dbraw/zinc/07/29/85/757072985.db2.gz JBSDCGHDJKGMQW-IXDOHACOSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC001011168019 757099266 /nfs/dbraw/zinc/09/92/66/757099266.db2.gz CCFPGGVXRFQDRQ-IRXDYDNUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC001011168019 757099275 /nfs/dbraw/zinc/09/92/75/757099275.db2.gz CCFPGGVXRFQDRQ-IRXDYDNUSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(C)CC[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)n[nH]3)nn2)C1 ZINC001107159460 757133369 /nfs/dbraw/zinc/13/33/69/757133369.db2.gz QGIORNMAMJVSMF-UHFFFAOYSA-N 1 1 343.435 0.991 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC(=O)N(CCOC)C3)CCC[C@H]12 ZINC000990975982 757153349 /nfs/dbraw/zinc/15/33/49/757153349.db2.gz WWSZIUJYTMXBRW-TXPKVOOTSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@H]2C1 ZINC001048848871 757174789 /nfs/dbraw/zinc/17/47/89/757174789.db2.gz WSDVMKCDWONMBN-KFWWJZLASA-N 1 1 333.432 0.880 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011206572 757187877 /nfs/dbraw/zinc/18/78/77/757187877.db2.gz QBKJLRKKCCEJEI-VQHPVUNQSA-N 1 1 349.475 0.979 20 30 ECEDMO CC[C@@H](C[NH+]1CC(n2cc(CNC(=O)C#CC(C)C)nn2)C1)OC ZINC001107169371 757206850 /nfs/dbraw/zinc/20/68/50/757206850.db2.gz DWNCVFXZNPQUJH-INIZCTEOSA-N 1 1 333.436 0.835 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@H]2C1 ZINC001048860738 757207176 /nfs/dbraw/zinc/20/71/76/757207176.db2.gz CFPCDVCKHJVNAV-IXDOHACOSA-N 1 1 331.464 0.780 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@H]2C1 ZINC001048862508 757214143 /nfs/dbraw/zinc/21/41/43/757214143.db2.gz WVUXWUPSXFJINA-BBWFWOEESA-N 1 1 329.448 0.227 20 30 ECEDMO CC[C@@H](C[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1)OC ZINC001107171317 757218813 /nfs/dbraw/zinc/21/88/13/757218813.db2.gz RZSARSSQFWZVPS-INIZCTEOSA-N 1 1 331.420 0.589 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]2C1 ZINC001048864063 757219549 /nfs/dbraw/zinc/21/95/49/757219549.db2.gz BNUPIJRKVQTWMV-KFWWJZLASA-N 1 1 330.432 0.812 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001048864717 757223073 /nfs/dbraw/zinc/22/30/73/757223073.db2.gz MOVIHKOVXCDPFO-IYBDPMFKSA-N 1 1 342.443 0.910 20 30 ECEDMO CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2C1 ZINC001048875791 757258222 /nfs/dbraw/zinc/25/82/22/757258222.db2.gz NUFVVEPFKJDYCR-IYBDPMFKSA-N 1 1 340.427 0.960 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)c1 ZINC001076824148 757277016 /nfs/dbraw/zinc/27/70/16/757277016.db2.gz XNFMEJHAEWIIRA-GVDBMIGSSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)c1 ZINC001076824148 757277021 /nfs/dbraw/zinc/27/70/21/757277021.db2.gz XNFMEJHAEWIIRA-GVDBMIGSSA-N 1 1 329.400 0.646 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@@H](O)C1 ZINC001083554839 757308959 /nfs/dbraw/zinc/30/89/59/757308959.db2.gz YTZNVOMNQWYZAP-OLZOCXBDSA-N 1 1 330.392 0.174 20 30 ECEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048893337 757317847 /nfs/dbraw/zinc/31/78/47/757317847.db2.gz APWZDABDDXARRW-IKGGRYGDSA-N 1 1 349.475 0.879 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3cncnc3)nn2)C1 ZINC001107185462 757360163 /nfs/dbraw/zinc/36/01/63/757360163.db2.gz RUTASPDRSBLHSE-UHFFFAOYSA-N 1 1 341.419 0.750 20 30 ECEDMO C=CCCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](C)O)nn1 ZINC001021404080 757398509 /nfs/dbraw/zinc/39/85/09/757398509.db2.gz QFBGTXBEILGQBF-FFHGMXDLSA-N 1 1 333.436 0.960 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)NC)cn1 ZINC001021440415 757447914 /nfs/dbraw/zinc/44/79/14/757447914.db2.gz KDSLCFRBKKUUAP-RJCAOGMDSA-N 1 1 340.427 0.923 20 30 ECEDMO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001048940907 757474132 /nfs/dbraw/zinc/47/41/32/757474132.db2.gz AINNUUHPGLESFI-GJZGRUSLSA-N 1 1 325.453 0.713 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](C)O)CC1 ZINC001021469578 757483703 /nfs/dbraw/zinc/48/37/03/757483703.db2.gz HLAABYPPQFGDII-CCNLRDMRSA-N 1 1 333.476 0.824 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C(C)(C)C2)nn1 ZINC000996388677 757517823 /nfs/dbraw/zinc/51/78/23/757517823.db2.gz KPZWMOBJIGZHLD-CQSZACIVSA-N 1 1 341.419 0.895 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2O)[nH]1 ZINC001076898553 757517900 /nfs/dbraw/zinc/51/79/00/757517900.db2.gz OPNOSJWGZKNSNC-HUUCEWRRSA-N 1 1 330.413 0.965 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)Cn3nc4ccccn4c3=O)C[C@H]2C1 ZINC001048969609 757548239 /nfs/dbraw/zinc/54/82/39/757548239.db2.gz ZLQMXWHNJYQCPY-GASCZTMLSA-N 1 1 341.415 0.462 20 30 ECEDMO Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076906132 757558672 /nfs/dbraw/zinc/55/86/72/757558672.db2.gz OFBFVMCCXSKOMD-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076906132 757558679 /nfs/dbraw/zinc/55/86/79/757558679.db2.gz OFBFVMCCXSKOMD-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048977084 757579032 /nfs/dbraw/zinc/57/90/32/757579032.db2.gz WWSWUERIHATGGN-MJBXVCDLSA-N 1 1 333.432 0.784 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048977386 757580839 /nfs/dbraw/zinc/58/08/39/757580839.db2.gz TUAGAGZEXHUYKC-PMPSAXMXSA-N 1 1 339.480 0.959 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCO[C@H](C)C3)C[C@@H]2C1 ZINC001048978235 757586945 /nfs/dbraw/zinc/58/69/45/757586945.db2.gz AABZDVQCIWQGBC-OAGGEKHMSA-N 1 1 349.475 0.836 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC001021552796 757595614 /nfs/dbraw/zinc/59/56/14/757595614.db2.gz BNHSZAOMJVXXAG-DZGCQCFKSA-N 1 1 329.404 0.559 20 30 ECEDMO Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]3C2)n1 ZINC001048990985 757624296 /nfs/dbraw/zinc/62/42/96/757624296.db2.gz FTTKOVIGVIVXSS-GASCZTMLSA-N 1 1 337.387 0.286 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001021593839 757659137 /nfs/dbraw/zinc/65/91/37/757659137.db2.gz XUVGZRSEXPCURN-KBPBESRZSA-N 1 1 346.435 0.266 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cncnc3)C2)cc1 ZINC001076934590 757659855 /nfs/dbraw/zinc/65/98/55/757659855.db2.gz MTTUAXJWVPDUJS-IAGOWNOFSA-N 1 1 337.383 0.252 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cncnc3)C2)cc1 ZINC001076934590 757659860 /nfs/dbraw/zinc/65/98/60/757659860.db2.gz MTTUAXJWVPDUJS-IAGOWNOFSA-N 1 1 337.383 0.252 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001021594665 757660500 /nfs/dbraw/zinc/66/05/00/757660500.db2.gz ODPSXNICKUFXLV-HUUCEWRRSA-N 1 1 346.431 0.046 20 30 ECEDMO C=CCCN1CC(n2cc(CNC(=O)C[N@@H+]3CCC[C@@H]3C)nn2)C1 ZINC001107209497 757686456 /nfs/dbraw/zinc/68/64/56/757686456.db2.gz RIJJWYTUMUXCMN-AWEZNQCLSA-N 1 1 332.452 0.811 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021615775 757688646 /nfs/dbraw/zinc/68/86/46/757688646.db2.gz GTRPIJRHCSTBDC-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021619310 757691612 /nfs/dbraw/zinc/69/16/12/757691612.db2.gz KHBQHMHNGQLQKU-HZPDHXFCSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021619308 757692098 /nfs/dbraw/zinc/69/20/98/757692098.db2.gz KHBQHMHNGQLQKU-CVEARBPZSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021619312 757693558 /nfs/dbraw/zinc/69/35/58/757693558.db2.gz KHBQHMHNGQLQKU-JKSUJKDBSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001021620116 757694413 /nfs/dbraw/zinc/69/44/13/757694413.db2.gz PREHLJSXUBBMHI-HUUCEWRRSA-N 1 1 333.436 0.471 20 30 ECEDMO C=CCCCN1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)nn2)C1 ZINC001107210852 757697070 /nfs/dbraw/zinc/69/70/70/757697070.db2.gz GJXODYFSEMGRSW-PBHICJAKSA-N 1 1 346.479 0.915 20 30 ECEDMO C=CCCCN1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)nn2)C1 ZINC001107210852 757697072 /nfs/dbraw/zinc/69/70/72/757697072.db2.gz GJXODYFSEMGRSW-PBHICJAKSA-N 1 1 346.479 0.915 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ncc(C#N)cc2F)C1 ZINC001107211163 757699549 /nfs/dbraw/zinc/69/95/49/757699549.db2.gz SRIDLNUQOHGZDN-BWPKMQGJSA-N 1 1 347.394 0.897 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ncc(C#N)cc2F)C1 ZINC001107211163 757699557 /nfs/dbraw/zinc/69/95/57/757699557.db2.gz SRIDLNUQOHGZDN-BWPKMQGJSA-N 1 1 347.394 0.897 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 ZINC001021626028 757706366 /nfs/dbraw/zinc/70/63/66/757706366.db2.gz CHRCXVDDZARNLX-GJZGRUSLSA-N 1 1 331.416 0.472 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001021633793 757715920 /nfs/dbraw/zinc/71/59/20/757715920.db2.gz UMCJPPLYUSAUGN-UKRRQHHQSA-N 1 1 329.400 0.943 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)cn2)C1 ZINC001021636481 757719782 /nfs/dbraw/zinc/71/97/82/757719782.db2.gz QGGZSIFQLMTCBO-ZBFHGGJFSA-N 1 1 328.416 0.730 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001021653106 757741517 /nfs/dbraw/zinc/74/15/17/757741517.db2.gz TYFOIIGLCAYDDP-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049036233 757753567 /nfs/dbraw/zinc/75/35/67/757753567.db2.gz VPZGQINZYRDCIK-QWQRMKEZSA-N 1 1 348.447 0.531 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001021696341 757805229 /nfs/dbraw/zinc/80/52/29/757805229.db2.gz JLMNGJBXMFVNAY-DLBZAZTESA-N 1 1 342.443 0.806 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001021696343 757806361 /nfs/dbraw/zinc/80/63/61/757806361.db2.gz JLMNGJBXMFVNAY-IAGOWNOFSA-N 1 1 342.443 0.806 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2C1 ZINC001049060427 757832155 /nfs/dbraw/zinc/83/21/55/757832155.db2.gz CVQGCAXFOZRKFB-RQJABVFESA-N 1 1 325.840 0.853 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)n2C)C1 ZINC001021740595 757889535 /nfs/dbraw/zinc/88/95/35/757889535.db2.gz UWTGSMGEKLEOLJ-LSDHHAIUSA-N 1 1 330.432 0.674 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001049084342 757917035 /nfs/dbraw/zinc/91/70/35/757917035.db2.gz ADMYRAMNILFQIH-HOTGVXAUSA-N 1 1 346.431 0.415 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001049111177 757986196 /nfs/dbraw/zinc/98/61/96/757986196.db2.gz GTFZQJDOGSWMNM-JYJNAYRXSA-N 1 1 335.448 0.018 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@H]2C1 ZINC001049111500 757987879 /nfs/dbraw/zinc/98/78/79/757987879.db2.gz UDJBOCYCWQKGCK-WCXIOVBPSA-N 1 1 330.432 0.864 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C(=O)N3CC[C@H](C)C3)nn2)C1 ZINC001107229084 757990159 /nfs/dbraw/zinc/99/01/59/757990159.db2.gz BKFAVVCENAYHSK-ZDUSSCGKSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCCC(=O)N(C)C)nn2)C1 ZINC001107229440 757991893 /nfs/dbraw/zinc/99/18/93/757991893.db2.gz JFVWBIVCOOOGFM-UHFFFAOYSA-N 1 1 348.451 0.586 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001077033434 758009655 /nfs/dbraw/zinc/00/96/55/758009655.db2.gz WJIDJINAQCIFJB-HZPDHXFCSA-N 1 1 332.448 0.889 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CCN3CCOCC3)C[C@H]2C1 ZINC001049116607 758010834 /nfs/dbraw/zinc/01/08/34/758010834.db2.gz VAYWIKXEPKJITD-GASCZTMLSA-N 1 1 327.856 0.851 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001077035941 758014139 /nfs/dbraw/zinc/01/41/39/758014139.db2.gz VEGOWGFVHVRHIP-HUUCEWRRSA-N 1 1 330.388 0.875 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001077035941 758014151 /nfs/dbraw/zinc/01/41/51/758014151.db2.gz VEGOWGFVHVRHIP-HUUCEWRRSA-N 1 1 330.388 0.875 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ncccn4)C[C@H]3C2)C1=O ZINC001049126123 758048085 /nfs/dbraw/zinc/04/80/85/758048085.db2.gz RWQJALPUUVVTNI-QLFBSQMISA-N 1 1 341.415 0.267 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049149569 758130961 /nfs/dbraw/zinc/13/09/61/758130961.db2.gz IAIQAONFGKSMKW-JYJNAYRXSA-N 1 1 339.480 0.961 20 30 ECEDMO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049150063 758133636 /nfs/dbraw/zinc/13/36/36/758133636.db2.gz QAVZXRXEEUIDQQ-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001021990342 758137372 /nfs/dbraw/zinc/13/73/72/758137372.db2.gz KNSBTDYQWLETIP-BETUJISGSA-N 1 1 342.407 0.724 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001077098127 758158861 /nfs/dbraw/zinc/15/88/61/758158861.db2.gz OXIUMTDSBPUKDH-KZNAEPCWSA-N 1 1 328.412 0.910 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001077098127 758158865 /nfs/dbraw/zinc/15/88/65/758158865.db2.gz OXIUMTDSBPUKDH-KZNAEPCWSA-N 1 1 328.412 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4nocc4C)C[C@H]3C2)C1=O ZINC001049157493 758162449 /nfs/dbraw/zinc/16/24/49/758162449.db2.gz SIODJDCQNGAZEJ-QLFBSQMISA-N 1 1 344.415 0.774 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001060159115 758172511 /nfs/dbraw/zinc/17/25/11/758172511.db2.gz XXSNLKHVUNMHCO-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001060159115 758172520 /nfs/dbraw/zinc/17/25/20/758172520.db2.gz XXSNLKHVUNMHCO-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001077108647 758193127 /nfs/dbraw/zinc/19/31/27/758193127.db2.gz NNQMKWFFXLCMOI-AWEZNQCLSA-N 1 1 325.453 0.768 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)COCC3CC3)CCC[C@@H]12 ZINC001107299010 758198661 /nfs/dbraw/zinc/19/86/61/758198661.db2.gz BQKYTWLTFALPCH-CRAIPNDOSA-N 1 1 348.447 0.414 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CN3CCCC3)CC2(C)C)C1=O ZINC000996608126 758205654 /nfs/dbraw/zinc/20/56/54/758205654.db2.gz BOTCPJRMTBTSLE-JKSUJKDBSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nc(C)n(C)c1=O ZINC001089895637 758231393 /nfs/dbraw/zinc/23/13/93/758231393.db2.gz FXWUWAYUTZPAOO-JJXSEGSLSA-N 1 1 345.447 0.245 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)o4)C[C@@H]3C2)nc1 ZINC001049177819 758231485 /nfs/dbraw/zinc/23/14/85/758231485.db2.gz PTTMRDLCMNCKLP-GASCZTMLSA-N 1 1 337.383 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)o4)C[C@@H]3C2)nc1 ZINC001049177819 758231491 /nfs/dbraw/zinc/23/14/91/758231491.db2.gz PTTMRDLCMNCKLP-GASCZTMLSA-N 1 1 337.383 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]3C2)cn1 ZINC001049178263 758234470 /nfs/dbraw/zinc/23/44/70/758234470.db2.gz BYYHYLNCCKDYHZ-CWRNSKLLSA-N 1 1 340.427 0.543 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccnn3C)CCC[C@@H]12 ZINC001107309547 758235832 /nfs/dbraw/zinc/23/58/32/758235832.db2.gz LNVGXQMATAYEKK-CRAIPNDOSA-N 1 1 343.431 0.144 20 30 ECEDMO CO[C@@H](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107323106 758244106 /nfs/dbraw/zinc/24/41/06/758244106.db2.gz OXCXASDNGSEBEM-JJRVBVJISA-N 1 1 336.436 0.412 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049190435 758257464 /nfs/dbraw/zinc/25/74/64/758257464.db2.gz QWIOOZFAAVIHCK-KSZLIROESA-N 1 1 337.423 0.489 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCOC3)CCC[C@@H]12 ZINC001107319913 758260978 /nfs/dbraw/zinc/26/09/78/758260978.db2.gz VKCDGINBAZOIJM-IIDMSEBBSA-N 1 1 348.447 0.414 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001077124249 758283377 /nfs/dbraw/zinc/28/33/77/758283377.db2.gz PBGYPXWQZDCILL-WFASDCNBSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001077124249 758283381 /nfs/dbraw/zinc/28/33/81/758283381.db2.gz PBGYPXWQZDCILL-WFASDCNBSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cccnn1 ZINC001077124961 758288255 /nfs/dbraw/zinc/28/82/55/758288255.db2.gz KKCNEAIVZMXMKY-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cccnn1 ZINC001077124961 758288265 /nfs/dbraw/zinc/28/82/65/758288265.db2.gz KKCNEAIVZMXMKY-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)CN4CCCC4)C[C@H]3C2)C1=O ZINC001049217043 758350837 /nfs/dbraw/zinc/35/08/37/758350837.db2.gz JPTGSSIVLOVREP-IXDOHACOSA-N 1 1 346.475 0.259 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)CN4CCCC4)C[C@H]3C2)C1=O ZINC001049217043 758350847 /nfs/dbraw/zinc/35/08/47/758350847.db2.gz JPTGSSIVLOVREP-IXDOHACOSA-N 1 1 346.475 0.259 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCOC3)CCC[C@@H]12 ZINC001107345128 758355472 /nfs/dbraw/zinc/35/54/72/758355472.db2.gz XSZZOQZUYYKJQD-HDMKZQKVSA-N 1 1 348.447 0.414 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1O ZINC001077158725 758374886 /nfs/dbraw/zinc/37/48/86/758374886.db2.gz UTZJJWOTZLUIPZ-FGTMMUONSA-N 1 1 331.460 0.746 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O ZINC001077159121 758376683 /nfs/dbraw/zinc/37/66/83/758376683.db2.gz PIWWQXUJPPBRCZ-CEXWTWQISA-N 1 1 341.455 0.488 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001077163252 758390423 /nfs/dbraw/zinc/39/04/23/758390423.db2.gz HQYKFLVXUDZUTB-LZLYRXPVSA-N 1 1 327.428 0.795 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001077163252 758390435 /nfs/dbraw/zinc/39/04/35/758390435.db2.gz HQYKFLVXUDZUTB-LZLYRXPVSA-N 1 1 327.428 0.795 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3coc(C)n3)CCC[C@@H]12 ZINC001107374443 758400510 /nfs/dbraw/zinc/40/05/10/758400510.db2.gz SABBTJOHQJKARY-CRAIPNDOSA-N 1 1 344.415 0.707 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cnn(C)c3N)CCC[C@@H]12 ZINC001107368493 758409492 /nfs/dbraw/zinc/40/94/92/758409492.db2.gz YUHMWMAIIBQBTK-CRAIPNDOSA-N 1 1 345.447 0.627 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC001022220791 758440875 /nfs/dbraw/zinc/44/08/75/758440875.db2.gz PPIRISNZRVCCOD-XHSDSOJGSA-N 1 1 327.432 0.619 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001049254429 758447022 /nfs/dbraw/zinc/44/70/22/758447022.db2.gz JKYRIQRHDSANAK-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)F)n2)C1 ZINC001077187156 758450542 /nfs/dbraw/zinc/45/05/42/758450542.db2.gz DHRLOXCKTLSDQR-CHWSQXEVSA-N 1 1 328.363 0.889 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001049268842 758461039 /nfs/dbraw/zinc/46/10/39/758461039.db2.gz UIODMOGSKVYDHB-FZKCQIBNSA-N 1 1 337.464 0.713 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCS(=O)(=O)NC)CCC[C@@H]12 ZINC001107402488 758471575 /nfs/dbraw/zinc/47/15/75/758471575.db2.gz MLJZBSPLEKBORC-GDBMZVCRSA-N 1 1 343.493 0.863 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnn(C)n1)CC2 ZINC001107401198 758498610 /nfs/dbraw/zinc/49/86/10/758498610.db2.gz BQIXHBYWSORBLA-YXJHDRRASA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnn(C)n1)CC2 ZINC001107401198 758498620 /nfs/dbraw/zinc/49/86/20/758498620.db2.gz BQIXHBYWSORBLA-YXJHDRRASA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCCC)CC2 ZINC001107401803 758500236 /nfs/dbraw/zinc/50/02/36/758500236.db2.gz DDCIJQYVLNWQSB-FRQCXROJSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC001022293257 758530679 /nfs/dbraw/zinc/53/06/79/758530679.db2.gz SRCOCCSXCJVHSH-FZKCQIBNSA-N 1 1 334.464 0.494 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC001011773614 758542749 /nfs/dbraw/zinc/54/27/49/758542749.db2.gz YVMJPJOYMQFYOK-XHDPSFHLSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12 ZINC001107428759 758546902 /nfs/dbraw/zinc/54/69/02/758546902.db2.gz BNMPNEFHTNGSMU-GDBMZVCRSA-N 1 1 341.477 0.569 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)NC1CCOCC1 ZINC001049383716 758605688 /nfs/dbraw/zinc/60/56/88/758605688.db2.gz SWJTUAQSJQEPEL-KBMXLJTQSA-N 1 1 348.447 0.507 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)NC1CCOCC1 ZINC001049383716 758605694 /nfs/dbraw/zinc/60/56/94/758605694.db2.gz SWJTUAQSJQEPEL-KBMXLJTQSA-N 1 1 348.447 0.507 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CCCC)CC2(CCOCC2)C1 ZINC001099565116 758617488 /nfs/dbraw/zinc/61/74/88/758617488.db2.gz AHRREHBOODGKBP-MRXNPFEDSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CCCC)CC2(CCOCC2)C1 ZINC001099565116 758617494 /nfs/dbraw/zinc/61/74/94/758617494.db2.gz AHRREHBOODGKBP-MRXNPFEDSA-N 1 1 349.475 0.913 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3CCCCN3C)CC2)C1=O ZINC000996726693 758641863 /nfs/dbraw/zinc/64/18/63/758641863.db2.gz ZDRBIRARDVMVQJ-DLBZAZTESA-N 1 1 348.491 0.838 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)N2CCC2)c[nH]1 ZINC001049424633 758668124 /nfs/dbraw/zinc/66/81/24/758668124.db2.gz FWIXTJFPYBYEHN-JKSUJKDBSA-N 1 1 341.415 0.798 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001077288090 758695523 /nfs/dbraw/zinc/69/55/23/758695523.db2.gz DKSPUSCWVDTXMT-GDBMZVCRSA-N 1 1 327.388 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1c[nH]nc1CC ZINC001077289950 758703409 /nfs/dbraw/zinc/70/34/09/758703409.db2.gz NVEHWLRLZLKQEL-BBRMVZONSA-N 1 1 345.447 0.694 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1c[nH]nc1CC ZINC001077289950 758703415 /nfs/dbraw/zinc/70/34/15/758703415.db2.gz NVEHWLRLZLKQEL-BBRMVZONSA-N 1 1 345.447 0.694 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCn3ncn(C)c3=O)CCC[C@@H]12 ZINC001107487474 758723969 /nfs/dbraw/zinc/72/39/69/758723969.db2.gz UMPWMNIRLCBSAP-CRAIPNDOSA-N 1 1 347.463 0.909 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CCC)S(N)(=O)=O)CCC[C@@H]12 ZINC001107486937 758724437 /nfs/dbraw/zinc/72/44/37/758724437.db2.gz MDUSKRKJBFJEKC-SQWLQELKSA-N 1 1 341.477 0.438 20 30 ECEDMO C=CCCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)CC1 ZINC001049454167 758732603 /nfs/dbraw/zinc/73/26/03/758732603.db2.gz QJFQQJIWXCWXRZ-PMPSAXMXSA-N 1 1 349.475 0.715 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3c[nH]nc3C)CCC[C@@H]12 ZINC001107491476 758761534 /nfs/dbraw/zinc/76/15/34/758761534.db2.gz AAYQDEXFQVEHPA-CRAIPNDOSA-N 1 1 343.431 0.442 20 30 ECEDMO Cc1cc(CC(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)[nH]n1 ZINC000996766314 758770116 /nfs/dbraw/zinc/77/01/16/758770116.db2.gz PSAJRPAMJQDDSS-UHFFFAOYSA-N 1 1 344.463 0.829 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1nnn(C(C)(C)C)n1 ZINC001049498457 758805992 /nfs/dbraw/zinc/80/59/92/758805992.db2.gz KEHITCUOPWGHMO-ZIAGYGMSSA-N 1 1 330.436 0.669 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083573580 758840249 /nfs/dbraw/zinc/84/02/49/758840249.db2.gz NRDGNSZVCXSJBI-SQNIBIBYSA-N 1 1 342.443 0.704 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001049557560 758919346 /nfs/dbraw/zinc/91/93/46/758919346.db2.gz ISVIYGUJAPYBEU-SOUVJXGZSA-N 1 1 343.431 0.635 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049614970 758996626 /nfs/dbraw/zinc/99/66/26/758996626.db2.gz GZBMXHKVIOGNHH-MWDXBVQZSA-N 1 1 335.448 0.874 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cncc(-n2ccnn2)c1 ZINC001049616382 758998851 /nfs/dbraw/zinc/99/88/51/758998851.db2.gz UXXYRAYHWKAZMZ-DLBZAZTESA-N 1 1 336.399 0.974 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2CCCC)C1 ZINC001022737036 759067282 /nfs/dbraw/zinc/06/72/82/759067282.db2.gz NJIVFRWCHJPLSX-BARDWOONSA-N 1 1 348.451 0.801 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)cc1F ZINC001049692178 759107752 /nfs/dbraw/zinc/10/77/52/759107752.db2.gz QSSUKJCQZHPOPV-GJZGRUSLSA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)cc1F ZINC001049692178 759107755 /nfs/dbraw/zinc/10/77/55/759107755.db2.gz QSSUKJCQZHPOPV-GJZGRUSLSA-N 1 1 330.363 0.748 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001077424534 759111664 /nfs/dbraw/zinc/11/16/64/759111664.db2.gz XTNKGZWPVQMPRG-HOCLYGCPSA-N 1 1 345.447 0.300 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049721887 759131485 /nfs/dbraw/zinc/13/14/85/759131485.db2.gz GNZWVFWQLSKMAG-WCXIOVBPSA-N 1 1 347.459 0.711 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049751872 759167163 /nfs/dbraw/zinc/16/71/63/759167163.db2.gz DTKCKQLWYFNXRJ-TUAOUCFPSA-N 1 1 340.811 0.402 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049751872 759167170 /nfs/dbraw/zinc/16/71/70/759167170.db2.gz DTKCKQLWYFNXRJ-TUAOUCFPSA-N 1 1 340.811 0.402 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCCO)nn1 ZINC001049778605 759193849 /nfs/dbraw/zinc/19/38/49/759193849.db2.gz WXTNBTCRYQZQEU-JKSUJKDBSA-N 1 1 333.436 0.916 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cnccc1=O ZINC001049815720 759248126 /nfs/dbraw/zinc/24/81/26/759248126.db2.gz GABIHBPOKJGESU-HOTGVXAUSA-N 1 1 328.416 0.722 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)CC3)C2)C1=O ZINC001022885732 759251258 /nfs/dbraw/zinc/25/12/58/759251258.db2.gz NEHOWDFJWZOAJR-BBWFWOEESA-N 1 1 348.491 0.742 20 30 ECEDMO C#CCCOc1ccc(C(=O)NCC[NH2+]Cc2nncn2C)cc1 ZINC001127008204 759251567 /nfs/dbraw/zinc/25/15/67/759251567.db2.gz BXOXHTVHBXRVKK-UHFFFAOYSA-N 1 1 327.388 0.737 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049824471 759258456 /nfs/dbraw/zinc/25/84/56/759258456.db2.gz HHEIKUMNUJKGTM-STQMWFEESA-N 1 1 334.420 0.568 20 30 ECEDMO N#Cc1ccccc1CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030346846 762698679 /nfs/dbraw/zinc/69/86/79/762698679.db2.gz GBJYMZCUANRGET-MSOLQXFVSA-N 1 1 340.427 0.722 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049832340 759269877 /nfs/dbraw/zinc/26/98/77/759269877.db2.gz UYFGVIHXPFYRNO-KBPBESRZSA-N 1 1 332.404 0.017 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049845889 759293962 /nfs/dbraw/zinc/29/39/62/759293962.db2.gz CBTDICHLYQJNBJ-KGLIPLIRSA-N 1 1 342.403 0.673 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(NC(C)=O)cc2)[C@@H](O)C1 ZINC001083613037 759299163 /nfs/dbraw/zinc/29/91/63/759299163.db2.gz ZAFMFFZONUOEPZ-SJORKVTESA-N 1 1 331.416 0.925 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O ZINC001049871862 759324927 /nfs/dbraw/zinc/32/49/27/759324927.db2.gz SQOMWOJCTZWQCF-CABCVRRESA-N 1 1 333.436 0.532 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049880448 759337505 /nfs/dbraw/zinc/33/75/05/759337505.db2.gz ASJKVMMMZNMJEI-RYUDHWBXSA-N 1 1 340.811 0.356 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049880448 759337514 /nfs/dbraw/zinc/33/75/14/759337514.db2.gz ASJKVMMMZNMJEI-RYUDHWBXSA-N 1 1 340.811 0.356 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049880743 759339551 /nfs/dbraw/zinc/33/95/51/759339551.db2.gz DSROFUQILOPUCQ-ZIAGYGMSSA-N 1 1 334.420 0.570 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049888204 759353277 /nfs/dbraw/zinc/35/32/77/759353277.db2.gz FQLKPHPYYUQUBR-CHWSQXEVSA-N 1 1 339.823 0.953 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049888204 759353288 /nfs/dbraw/zinc/35/32/88/759353288.db2.gz FQLKPHPYYUQUBR-CHWSQXEVSA-N 1 1 339.823 0.953 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001047635531 759362795 /nfs/dbraw/zinc/36/27/95/759362795.db2.gz XYBOKCJXEOWOMA-COXVUDFISA-N 1 1 332.448 0.984 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccnnc1C ZINC001077581249 759364559 /nfs/dbraw/zinc/36/45/59/759364559.db2.gz HPIJNWOWTOYYRS-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccnnc1C ZINC001077581249 759364572 /nfs/dbraw/zinc/36/45/72/759364572.db2.gz HPIJNWOWTOYYRS-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1-n1cnnn1 ZINC001049896072 759370395 /nfs/dbraw/zinc/37/03/95/759370395.db2.gz WXKKYVJPTZXGNB-DLBZAZTESA-N 1 1 336.399 0.974 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1COCCN1C(C)=O ZINC001049905998 759388344 /nfs/dbraw/zinc/38/83/44/759388344.db2.gz CBDWRFLIOFJOAQ-ZACQAIPSSA-N 1 1 333.432 0.322 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001054242224 767856890 /nfs/dbraw/zinc/85/68/90/767856890.db2.gz HZTBCOREWAXEBG-GOEBONIOSA-N 1 1 341.477 0.569 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001047648810 759407156 /nfs/dbraw/zinc/40/71/56/759407156.db2.gz DOYCUPAVZZHMGV-RCBQFDQVSA-N 1 1 332.448 0.667 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001054242977 767858540 /nfs/dbraw/zinc/85/85/40/767858540.db2.gz UXIHSHQZSPNHBN-ZFWWWQNUSA-N 1 1 327.450 0.179 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001054243083 767858635 /nfs/dbraw/zinc/85/86/35/767858635.db2.gz WNDOWLHLUTUULQ-HOCLYGCPSA-N 1 1 339.461 0.016 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C)c(=O)n1C)C2 ZINC001054245950 767861325 /nfs/dbraw/zinc/86/13/25/767861325.db2.gz IFWHNAOERVHZIK-SFHVURJKSA-N 1 1 330.432 0.675 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(C(N)=O)n1)C2 ZINC001054246612 767862747 /nfs/dbraw/zinc/86/27/47/767862747.db2.gz FCUKASIHDREULC-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001049998600 759522087 /nfs/dbraw/zinc/52/20/87/759522087.db2.gz ISDFZFYFMACQES-FXUDXRNXSA-N 1 1 348.447 0.052 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001050022417 759559447 /nfs/dbraw/zinc/55/94/47/759559447.db2.gz OLKCUVNJNOWNHE-LSDHHAIUSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001050022417 759559448 /nfs/dbraw/zinc/55/94/48/759559448.db2.gz OLKCUVNJNOWNHE-LSDHHAIUSA-N 1 1 327.856 0.994 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)[nH]1 ZINC001050025259 759564959 /nfs/dbraw/zinc/56/49/59/759564959.db2.gz VOOCOXCYFBJUOB-XJKSGUPXSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CC[C@@H](CCNc2cc(C)[nH+]c(C)n2)C1 ZINC001111605199 759579106 /nfs/dbraw/zinc/57/91/06/759579106.db2.gz OPORKAHXGRLTEJ-OAHLLOKOSA-N 1 1 343.431 0.883 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001050054208 759623105 /nfs/dbraw/zinc/62/31/05/759623105.db2.gz AIRBXBPHJDXVRO-DZGCQCFKSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@@H](C)C[NH+]2CCN(CC)CC2)C1=O ZINC000348435118 759648125 /nfs/dbraw/zinc/64/81/25/759648125.db2.gz WLLHSQSZQKZOPC-GJZGRUSLSA-N 1 1 338.452 0.383 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001017346403 767878537 /nfs/dbraw/zinc/87/85/37/767878537.db2.gz MIUUNESUBVFJAY-ZACQAIPSSA-N 1 1 347.459 0.947 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050103192 759708083 /nfs/dbraw/zinc/70/80/83/759708083.db2.gz JQZPNYRJDQQQFL-KBPBESRZSA-N 1 1 349.460 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH2+]Cc3nnn(C)n3)C2)cc1 ZINC001047929677 759709674 /nfs/dbraw/zinc/70/96/74/759709674.db2.gz UNEYSWCCSHTZGA-CJNGLKHVSA-N 1 1 338.415 0.832 20 30 ECEDMO Cc1nc(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)ccc1C#N ZINC001125111382 759716868 /nfs/dbraw/zinc/71/68/68/759716868.db2.gz WFDSRVZLNPZNAC-JKSUJKDBSA-N 1 1 345.447 0.469 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC001050127126 759762154 /nfs/dbraw/zinc/76/21/54/759762154.db2.gz LURXNAZJKOFHFA-GRDNDAEWSA-N 1 1 327.432 0.476 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)cc1F ZINC001050131445 759772292 /nfs/dbraw/zinc/77/22/92/759772292.db2.gz SPVLNBUKHKRLKX-DZGCQCFKSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)cc1F ZINC001050131445 759772296 /nfs/dbraw/zinc/77/22/96/759772296.db2.gz SPVLNBUKHKRLKX-DZGCQCFKSA-N 1 1 330.363 0.605 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)nn1 ZINC001050160246 759825720 /nfs/dbraw/zinc/82/57/20/759825720.db2.gz UZOOUCNWOQQPRC-DZGCQCFKSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)nn1 ZINC001050160246 759825724 /nfs/dbraw/zinc/82/57/24/759825724.db2.gz UZOOUCNWOQQPRC-DZGCQCFKSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4nc[nH]n4)[C@@H]3C2)C1=O ZINC001050167543 759847337 /nfs/dbraw/zinc/84/73/37/759847337.db2.gz GHJCEOGPODHODF-BFHYXJOUSA-N 1 1 344.419 0.128 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1 ZINC001050201514 759927631 /nfs/dbraw/zinc/92/76/31/759927631.db2.gz HUAQJLAPJTWSRJ-LSDHHAIUSA-N 1 1 338.415 0.613 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C(N)=O)n3)[C@@H]2C1 ZINC001050211991 759946636 /nfs/dbraw/zinc/94/66/36/759946636.db2.gz RJYUWJMAAVMCMW-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cc(C(N)=O)ccn3)C2)cc1 ZINC001032233703 759999453 /nfs/dbraw/zinc/99/94/53/759999453.db2.gz RSIBHHSMIAFVHV-UHFFFAOYSA-N 1 1 349.394 0.914 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001012489545 760073996 /nfs/dbraw/zinc/07/39/96/760073996.db2.gz NGDCGMYOLYNXOI-SMDDNHRTSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001050297177 760078524 /nfs/dbraw/zinc/07/85/24/760078524.db2.gz LLRNLJNSEZFHPH-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(C)n2)CC1 ZINC000945350435 760086991 /nfs/dbraw/zinc/08/69/91/760086991.db2.gz GDYJTIJKMPGPEB-INIZCTEOSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(C)n2)CC1 ZINC000945350435 760087002 /nfs/dbraw/zinc/08/70/02/760087002.db2.gz GDYJTIJKMPGPEB-INIZCTEOSA-N 1 1 343.431 0.537 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(OC)ccn32)[C@@H](O)C1 ZINC001083642177 760209515 /nfs/dbraw/zinc/20/95/15/760209515.db2.gz UBMXTVJSPPZOLV-HIFRSBDPSA-N 1 1 330.388 0.694 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC1=CCN(c2nccnc2C#N)CC1 ZINC001127717517 760477500 /nfs/dbraw/zinc/47/75/00/760477500.db2.gz NRNJMUDTWOAJEZ-UHFFFAOYSA-N 1 1 337.387 0.806 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001012651211 760490350 /nfs/dbraw/zinc/49/03/50/760490350.db2.gz ZJJDEYCTONNLTR-NHYWBVRUSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050672274 760652199 /nfs/dbraw/zinc/65/21/99/760652199.db2.gz HLRCLAVQSQKVQN-CZUORRHYSA-N 1 1 328.416 0.958 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(CCOC)nn1)C2 ZINC001048524108 760660925 /nfs/dbraw/zinc/66/09/25/760660925.db2.gz FJHNBCKDDCKJDN-MUJYYYPQSA-N 1 1 345.447 0.921 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)C(C)(C)S(C)(=O)=O)C2)CC1 ZINC001050684225 760663697 /nfs/dbraw/zinc/66/36/97/760663697.db2.gz GBMPINYELSRYNC-UHFFFAOYSA-N 1 1 326.462 0.757 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001048562802 760723561 /nfs/dbraw/zinc/72/35/61/760723561.db2.gz UJWDAJOWZNKGON-KKUMJFAQSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCN(C)S1(=O)=O)C2 ZINC001048574176 760738350 /nfs/dbraw/zinc/73/83/50/760738350.db2.gz RNWVKCAZDNNDAP-LXTVHRRPSA-N 1 1 339.461 0.013 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(=O)n(CC)n1)C2 ZINC001048573778 760738526 /nfs/dbraw/zinc/73/85/26/760738526.db2.gz REYZWGUBSPTLJS-QDMKHBRRSA-N 1 1 328.416 0.869 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)CN3CCOCC3)C2)CC1 ZINC001050755565 760785105 /nfs/dbraw/zinc/78/51/05/760785105.db2.gz DUQAJRYHZBNADQ-KRWDZBQOSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2nccs2)[C@@H](O)C1 ZINC001083669838 760884207 /nfs/dbraw/zinc/88/42/07/760884207.db2.gz XPJOYRODDRVNJA-MCIONIFRSA-N 1 1 334.445 0.297 20 30 ECEDMO C=C(Br)CN1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001050839821 760971220 /nfs/dbraw/zinc/97/12/20/760971220.db2.gz YWTWELZLLSCVJO-OLZOCXBDSA-N 1 1 346.269 0.806 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC4N=NC(=O)N4C3)CCC[C@@H]12 ZINC000991451280 760998671 /nfs/dbraw/zinc/99/86/71/760998671.db2.gz ZBENGIBWMVTJIJ-OGHNNQOOSA-N 1 1 329.404 0.293 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)[C@@H](O)C1 ZINC001083675062 761038282 /nfs/dbraw/zinc/03/82/82/761038282.db2.gz KDPOLLCRSBQREG-BMFZPTHFSA-N 1 1 348.447 0.665 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001048728184 761055809 /nfs/dbraw/zinc/05/58/09/761055809.db2.gz WSSCYXVDWWZLIV-AEGPPILISA-N 1 1 339.461 0.361 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H]2CCCOC2)c[nH]1 ZINC001050880891 761063217 /nfs/dbraw/zinc/06/32/17/761063217.db2.gz ZDOWDRTWHSIJFM-CZUORRHYSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H]2CCCOC2)c[nH]1 ZINC001050880891 761063226 /nfs/dbraw/zinc/06/32/26/761063226.db2.gz ZDOWDRTWHSIJFM-CZUORRHYSA-N 1 1 332.404 0.744 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 ZINC000991470023 761083520 /nfs/dbraw/zinc/08/35/20/761083520.db2.gz HEKGHBMGLNOHTI-YOEHRIQHSA-N 1 1 333.436 0.661 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC000991471861 761097006 /nfs/dbraw/zinc/09/70/06/761097006.db2.gz LICWPLBAXJAHRK-IUODEOHRSA-N 1 1 339.827 0.448 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC000991471861 761097016 /nfs/dbraw/zinc/09/70/16/761097016.db2.gz LICWPLBAXJAHRK-IUODEOHRSA-N 1 1 339.827 0.448 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12 ZINC000991475826 761122619 /nfs/dbraw/zinc/12/26/19/761122619.db2.gz UBVJFCRYQBWPIW-QAPCUYQASA-N 1 1 334.464 0.450 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001077447742 761204752 /nfs/dbraw/zinc/20/47/52/761204752.db2.gz LKPTWVZZHJRZDU-IXDOHACOSA-N 1 1 337.464 0.225 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C/C=C\Cl ZINC001050962224 761230173 /nfs/dbraw/zinc/23/01/73/761230173.db2.gz GLUMCXKPUFNCMD-VASHYATMSA-N 1 1 325.840 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C/C=C\Cl ZINC001050962224 761230179 /nfs/dbraw/zinc/23/01/79/761230179.db2.gz GLUMCXKPUFNCMD-VASHYATMSA-N 1 1 325.840 0.654 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001013262117 761241848 /nfs/dbraw/zinc/24/18/48/761241848.db2.gz PXRKXPMVHQRCMG-FZMZJTMJSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)c1 ZINC001051000994 761309866 /nfs/dbraw/zinc/30/98/66/761309866.db2.gz NHRFZASQLRCQOG-INIZCTEOSA-N 1 1 349.431 0.501 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)c1 ZINC001051000994 761309877 /nfs/dbraw/zinc/30/98/77/761309877.db2.gz NHRFZASQLRCQOG-INIZCTEOSA-N 1 1 349.431 0.501 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1OC ZINC001212150142 761319387 /nfs/dbraw/zinc/31/93/87/761319387.db2.gz PXWJSGIHJMSHOY-IAGOWNOFSA-N 1 1 343.427 0.184 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1c1nccnc1C#N ZINC001051015519 761340795 /nfs/dbraw/zinc/34/07/95/761340795.db2.gz JEUXHNLQUSSYDK-MJBXVCDLSA-N 1 1 328.420 0.773 20 30 ECEDMO C=CCC[NH+]1CC(OC2CCN(C(=O)C3(C(=O)NC)CC3)CC2)C1 ZINC001105728575 761363306 /nfs/dbraw/zinc/36/33/06/761363306.db2.gz ZZVYUULAYFGDOY-UHFFFAOYSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725479 768040573 /nfs/dbraw/zinc/04/05/73/768040573.db2.gz FJXQJXYIBBWWLO-HZSPNIEDSA-N 1 1 331.844 0.009 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725479 768040577 /nfs/dbraw/zinc/04/05/77/768040577.db2.gz FJXQJXYIBBWWLO-HZSPNIEDSA-N 1 1 331.844 0.009 20 30 ECEDMO C=CCCN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082270 761456370 /nfs/dbraw/zinc/45/63/70/761456370.db2.gz XEHBAFKBAIHJOB-JKSUJKDBSA-N 1 1 325.453 0.489 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001051128395 761530598 /nfs/dbraw/zinc/53/05/98/761530598.db2.gz XRARWSDFJJQLAK-CQSZACIVSA-N 1 1 348.447 0.748 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001051128395 761530601 /nfs/dbraw/zinc/53/06/01/761530601.db2.gz XRARWSDFJJQLAK-CQSZACIVSA-N 1 1 348.447 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cnc(F)cn2)[C@@H]1C ZINC001051195741 761665888 /nfs/dbraw/zinc/66/58/88/761665888.db2.gz AQMDGUFZOJOQON-RDBSUJKOSA-N 1 1 331.395 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cnc(F)cn2)[C@@H]1C ZINC001051195741 761665894 /nfs/dbraw/zinc/66/58/94/761665894.db2.gz AQMDGUFZOJOQON-RDBSUJKOSA-N 1 1 331.395 0.797 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]([C@H](C)NC(=O)C#CC2CC2)C1 ZINC001051207079 761687793 /nfs/dbraw/zinc/68/77/93/761687793.db2.gz VKMZGVLIOWBZOM-HOCLYGCPSA-N 1 1 328.416 0.958 20 30 ECEDMO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@H]3CN(C)C(=O)N3)cccc2C1 ZINC001051296931 761845985 /nfs/dbraw/zinc/84/59/85/761845985.db2.gz FCZOCUSUUCPGHL-QGZVFWFLSA-N 1 1 340.427 0.708 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ncccc2C#N)C[C@@H]1O ZINC001051698202 762722707 /nfs/dbraw/zinc/72/27/07/762722707.db2.gz ARRIYBANRRJUOF-GJZGRUSLSA-N 1 1 340.387 0.214 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(=O)n(CCOC)n3)CCC[C@@H]12 ZINC000991708824 762870277 /nfs/dbraw/zinc/87/02/77/762870277.db2.gz JYEZXWIMNUEOJW-CRAIPNDOSA-N 1 1 344.415 0.250 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(=O)n(CCOC)n3)CCC[C@@H]12 ZINC000991712595 762900489 /nfs/dbraw/zinc/90/04/89/762900489.db2.gz QHNYBDUAUFGEQM-QAPCUYQASA-N 1 1 346.431 0.803 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001014616429 762909113 /nfs/dbraw/zinc/90/91/13/762909113.db2.gz LTAICCSJPYJKJS-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001106294981 768092253 /nfs/dbraw/zinc/09/22/53/768092253.db2.gz WKLFSMOJYGTKKC-FZMZJTMJSA-N 1 1 332.408 0.294 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001106294981 768092260 /nfs/dbraw/zinc/09/22/60/768092260.db2.gz WKLFSMOJYGTKKC-FZMZJTMJSA-N 1 1 332.408 0.294 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1=O ZINC001014618540 762912947 /nfs/dbraw/zinc/91/29/47/762912947.db2.gz RKKBYIVCDXXQHE-NVXWUHKLSA-N 1 1 343.402 0.846 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1=O ZINC001014618540 762912951 /nfs/dbraw/zinc/91/29/51/762912951.db2.gz RKKBYIVCDXXQHE-NVXWUHKLSA-N 1 1 343.402 0.846 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C3(F)CCOCC3)C2)C1=O ZINC001014659460 762966918 /nfs/dbraw/zinc/96/69/18/762966918.db2.gz OCFXTCWXJNTRHN-UONOGXRCSA-N 1 1 339.411 0.483 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C3(F)CCOCC3)C2)C1=O ZINC001014659460 762966922 /nfs/dbraw/zinc/96/69/22/762966922.db2.gz OCFXTCWXJNTRHN-UONOGXRCSA-N 1 1 339.411 0.483 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001014711047 763025823 /nfs/dbraw/zinc/02/58/23/763025823.db2.gz LAQQNXIQVRTNKZ-XJKSGUPXSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001014711047 763025831 /nfs/dbraw/zinc/02/58/31/763025831.db2.gz LAQQNXIQVRTNKZ-XJKSGUPXSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)cc1F ZINC001014711619 763026680 /nfs/dbraw/zinc/02/66/80/763026680.db2.gz OUMWUOIJGCSYPF-HIFRSBDPSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)cc1F ZINC001014711619 763026686 /nfs/dbraw/zinc/02/66/86/763026686.db2.gz OUMWUOIJGCSYPF-HIFRSBDPSA-N 1 1 344.390 0.914 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nocc3C)C2)c1 ZINC001051817151 763032879 /nfs/dbraw/zinc/03/28/79/763032879.db2.gz OFAZUVSCLUJESC-INIZCTEOSA-N 1 1 340.383 0.990 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2coc(C)n2)C1 ZINC001051833993 763076223 /nfs/dbraw/zinc/07/62/23/763076223.db2.gz CQADRVNJCUKFET-XHSDSOJGSA-N 1 1 335.404 0.891 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC001051834583 763077260 /nfs/dbraw/zinc/07/72/60/763077260.db2.gz RCOLXGQQTRZAAQ-XHSDSOJGSA-N 1 1 346.431 0.693 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001089841506 763116678 /nfs/dbraw/zinc/11/66/78/763116678.db2.gz GAMFXEYHGOBGGN-YXWQFLTLSA-N 1 1 326.400 0.196 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001046782276 763118452 /nfs/dbraw/zinc/11/84/52/763118452.db2.gz XMLISVDHUAELGP-IBGZPJMESA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001046782276 763118458 /nfs/dbraw/zinc/11/84/58/763118458.db2.gz XMLISVDHUAELGP-IBGZPJMESA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)nc1 ZINC001046782446 763118885 /nfs/dbraw/zinc/11/88/85/763118885.db2.gz YQVREFTYZFBRCN-SFHVURJKSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)nc1 ZINC001046782446 763118891 /nfs/dbraw/zinc/11/88/91/763118891.db2.gz YQVREFTYZFBRCN-SFHVURJKSA-N 1 1 326.400 0.489 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001014768515 763123243 /nfs/dbraw/zinc/12/32/43/763123243.db2.gz DAHFYLGELIZJDX-SJORKVTESA-N 1 1 329.448 0.517 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001014768515 763123250 /nfs/dbraw/zinc/12/32/50/763123250.db2.gz DAHFYLGELIZJDX-SJORKVTESA-N 1 1 329.448 0.517 20 30 ECEDMO Cc1cc(NC[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C#N)cn1 ZINC001105972832 763136458 /nfs/dbraw/zinc/13/64/58/763136458.db2.gz QOKIOBAMGJAPCY-DOTOQJQBSA-N 1 1 345.447 0.445 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2csnc2OC)C1 ZINC001014778303 763137681 /nfs/dbraw/zinc/13/76/81/763137681.db2.gz CJPVEVYBEIKMCX-GJZGRUSLSA-N 1 1 348.472 0.940 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2csnc2OC)C1 ZINC001014778303 763137686 /nfs/dbraw/zinc/13/76/86/763137686.db2.gz CJPVEVYBEIKMCX-GJZGRUSLSA-N 1 1 348.472 0.940 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001105973192 763140137 /nfs/dbraw/zinc/14/01/37/763140137.db2.gz WDHKWKMBXWYUBP-UKRRQHHQSA-N 1 1 349.410 0.854 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001105973363 763141056 /nfs/dbraw/zinc/14/10/56/763141056.db2.gz XRDAGAVSITWYRA-GJZGRUSLSA-N 1 1 346.435 0.419 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051867002 763151744 /nfs/dbraw/zinc/15/17/44/763151744.db2.gz AWNCNDIEROULNY-ILXRZTDVSA-N 1 1 336.392 0.368 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001054638821 768114242 /nfs/dbraw/zinc/11/42/42/768114242.db2.gz QOOCWFGFYWDUAQ-DZGCQCFKSA-N 1 1 327.432 0.964 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001098784247 768116534 /nfs/dbraw/zinc/11/65/34/768116534.db2.gz CIFYPWGUOMEFRN-IRXDYDNUSA-N 1 1 344.463 0.649 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)C1 ZINC000940296380 763261786 /nfs/dbraw/zinc/26/17/86/763261786.db2.gz ZGYLMDPNKWYMJG-XJKCOSOUSA-N 1 1 343.431 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)nc1 ZINC001051907916 763300902 /nfs/dbraw/zinc/30/09/02/763300902.db2.gz CSEPYMHRZBUQOH-CQSZACIVSA-N 1 1 327.344 0.077 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CCCC(=O)N1 ZINC001014859916 763320970 /nfs/dbraw/zinc/32/09/70/763320970.db2.gz KNERMEFKEHCVDS-IAGOWNOFSA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCCC(=O)N1 ZINC001014859916 763320980 /nfs/dbraw/zinc/32/09/80/763320980.db2.gz KNERMEFKEHCVDS-IAGOWNOFSA-N 1 1 325.412 0.897 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(OC)ccn3)C2)C1=O ZINC001031893346 763343330 /nfs/dbraw/zinc/34/33/30/763343330.db2.gz RXMNMSYSGHSBEZ-MRXNPFEDSA-N 1 1 344.415 0.539 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001031892375 763348415 /nfs/dbraw/zinc/34/84/15/763348415.db2.gz ZHWVAYYOFMNOSV-HNNXBMFYSA-N 1 1 325.368 0.135 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001046948999 763442299 /nfs/dbraw/zinc/44/22/99/763442299.db2.gz AXUOLHJVMVJWSH-MJBXVCDLSA-N 1 1 330.375 0.887 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nn(CC)nc2C)C1 ZINC001030464579 763458541 /nfs/dbraw/zinc/45/85/41/763458541.db2.gz ZZGKMSSUXCCZFA-INIZCTEOSA-N 1 1 330.436 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nn(CC)nc2C)C1 ZINC001030464579 763458550 /nfs/dbraw/zinc/45/85/50/763458550.db2.gz ZZGKMSSUXCCZFA-INIZCTEOSA-N 1 1 330.436 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001046956439 763459796 /nfs/dbraw/zinc/45/97/96/763459796.db2.gz VKWRMHAAGQDECZ-CABCVRRESA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001046956439 763459800 /nfs/dbraw/zinc/45/98/00/763459800.db2.gz VKWRMHAAGQDECZ-CABCVRRESA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3snnc3C)C2)CC1 ZINC001051981318 763507644 /nfs/dbraw/zinc/50/76/44/763507644.db2.gz NYMHMPQMXDRSAI-CQSZACIVSA-N 1 1 333.461 0.702 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)n3cccn3)C2)CC1 ZINC001051990075 763527282 /nfs/dbraw/zinc/52/72/82/763527282.db2.gz LPZBDKJDMYPYQS-IAGOWNOFSA-N 1 1 329.448 0.686 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001046993259 763530239 /nfs/dbraw/zinc/53/02/39/763530239.db2.gz BUFFWGLYSNDAFZ-CYBMUJFWSA-N 1 1 336.342 0.501 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001046993259 763530240 /nfs/dbraw/zinc/53/02/40/763530240.db2.gz BUFFWGLYSNDAFZ-CYBMUJFWSA-N 1 1 336.342 0.501 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CC3OCCCO3)C2)CC1 ZINC001052019484 763599820 /nfs/dbraw/zinc/59/98/20/763599820.db2.gz ZZZWVWCWTCEUQI-INIZCTEOSA-N 1 1 335.448 0.381 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)c1 ZINC001088846668 763612590 /nfs/dbraw/zinc/61/25/90/763612590.db2.gz AOFSRWFMSQERQO-CJNGLKHVSA-N 1 1 341.415 0.281 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052030453 763628982 /nfs/dbraw/zinc/62/89/82/763628982.db2.gz OYDQLJLOKQWPNH-BBWFWOEESA-N 1 1 332.448 0.710 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C4CC4)nn3C)C2)CC1 ZINC001052035920 763644997 /nfs/dbraw/zinc/64/49/97/763644997.db2.gz UIEIEWHMTQLYQM-INIZCTEOSA-N 1 1 341.459 0.763 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001077574241 763651320 /nfs/dbraw/zinc/65/13/20/763651320.db2.gz MLVNDDUUGSBCTM-JHJVBQTASA-N 1 1 335.370 0.608 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C2)CC1 ZINC001052040208 763660970 /nfs/dbraw/zinc/66/09/70/763660970.db2.gz BQZOKBGWFSEQDZ-AWEZNQCLSA-N 1 1 340.431 0.976 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000941231876 763662258 /nfs/dbraw/zinc/66/22/58/763662258.db2.gz XIZWLDNCTWDRKQ-KBPBESRZSA-N 1 1 326.462 0.804 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C2)CC1 ZINC001052040621 763662390 /nfs/dbraw/zinc/66/23/90/763662390.db2.gz IJULQRSSRRSYHN-CQSZACIVSA-N 1 1 333.436 0.827 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)CC1 ZINC001052045446 763683059 /nfs/dbraw/zinc/68/30/59/763683059.db2.gz SXQSHZUDMZCUMU-HZPDHXFCSA-N 1 1 342.447 0.188 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)nnc3CC)C2)CC1 ZINC001052045450 763683483 /nfs/dbraw/zinc/68/34/83/763683483.db2.gz UAWAMOXIFGTJMS-INIZCTEOSA-N 1 1 341.459 0.813 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045440 763683544 /nfs/dbraw/zinc/68/35/44/763683544.db2.gz SXBAVNIAHMCKQW-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)CC1 ZINC001052047016 763688915 /nfs/dbraw/zinc/68/89/15/763688915.db2.gz GVZAMMNEURFBDY-HNNXBMFYSA-N 1 1 345.447 0.684 20 30 ECEDMO CCc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cc(=O)[nH]1 ZINC001052048747 763698956 /nfs/dbraw/zinc/69/89/56/763698956.db2.gz DEHOVXDSLICDHS-INIZCTEOSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncc4ccccn43)C2)CC1 ZINC001052052564 763715763 /nfs/dbraw/zinc/71/57/63/763715763.db2.gz QBCRPDPDYGDABQ-QGZVFWFLSA-N 1 1 337.427 0.800 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cc1 ZINC001015042086 763734538 /nfs/dbraw/zinc/73/45/38/763734538.db2.gz HYZYPJAMFANMOR-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000995148845 763749788 /nfs/dbraw/zinc/74/97/88/763749788.db2.gz SEQXINFHENBYAM-MRXNPFEDSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)cnn3C)C2)CC1 ZINC001052067450 763758535 /nfs/dbraw/zinc/75/85/35/763758535.db2.gz JZBFLUMDGNGZEP-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069378 763766152 /nfs/dbraw/zinc/76/61/52/763766152.db2.gz ZFQDLATWHBFCHE-QAPCUYQASA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069378 763766158 /nfs/dbraw/zinc/76/61/58/763766158.db2.gz ZFQDLATWHBFCHE-QAPCUYQASA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052070887 763769546 /nfs/dbraw/zinc/76/95/46/763769546.db2.gz OJEYOIZGZQHRNP-GBESFXJTSA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4nonc4c3)C2)CC1 ZINC001052074162 763779499 /nfs/dbraw/zinc/77/94/99/763779499.db2.gz VGXNTBWUZFAIDV-OAHLLOKOSA-N 1 1 339.399 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N(C)C)C3)cn1 ZINC001047184554 763781264 /nfs/dbraw/zinc/78/12/64/763781264.db2.gz CYHGMGWFNFCXGX-JQFCIGGWSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C4CC4)n[nH]3)C2)CC1 ZINC001052087319 763816914 /nfs/dbraw/zinc/81/69/14/763816914.db2.gz RZPAJWNBPSLLMW-HNNXBMFYSA-N 1 1 327.432 0.752 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052093151 763836328 /nfs/dbraw/zinc/83/63/28/763836328.db2.gz KEBJQKUOFFGYQQ-QZTJIDSGSA-N 1 1 347.507 0.991 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C2)CC1 ZINC001052102340 763866410 /nfs/dbraw/zinc/86/64/10/763866410.db2.gz DXEMZKSUOHWNGQ-INIZCTEOSA-N 1 1 344.463 0.706 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]nc3C3CC3)C2)CC1 ZINC001052105630 763877318 /nfs/dbraw/zinc/87/73/18/763877318.db2.gz MSUKMQDYWQYBFJ-HNNXBMFYSA-N 1 1 327.432 0.752 20 30 ECEDMO C[C@@H](CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)N1CCCC1=O ZINC001052106048 763878677 /nfs/dbraw/zinc/87/86/77/763878677.db2.gz ABNHLYZXXITJNI-HOTGVXAUSA-N 1 1 347.463 0.129 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106658 763881436 /nfs/dbraw/zinc/88/14/36/763881436.db2.gz QBFJZBOJQHLGSU-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106658 763881447 /nfs/dbraw/zinc/88/14/47/763881447.db2.gz QBFJZBOJQHLGSU-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C2)CC1 ZINC001052106952 763884169 /nfs/dbraw/zinc/88/41/69/763884169.db2.gz XRGJUICQNJSQHQ-MRXNPFEDSA-N 1 1 326.444 0.969 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052112851 763909108 /nfs/dbraw/zinc/90/91/08/763909108.db2.gz GFRKJOVKMFMYCW-ROUUACIJSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)CC1 ZINC001052112893 763909510 /nfs/dbraw/zinc/90/95/10/763909510.db2.gz GYBWHDZIGWWCDB-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)CC1 ZINC001052112893 763909513 /nfs/dbraw/zinc/90/95/13/763909513.db2.gz GYBWHDZIGWWCDB-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cncn3C)C2)CC1 ZINC001052112923 763909602 /nfs/dbraw/zinc/90/96/02/763909602.db2.gz HPHWHBAZLPSPPL-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)CC1 ZINC001052118285 763931419 /nfs/dbraw/zinc/93/14/19/763931419.db2.gz BLTQKATUVKJXNE-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)CC1 ZINC001052118285 763931424 /nfs/dbraw/zinc/93/14/24/763931424.db2.gz BLTQKATUVKJXNE-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052118969 763934600 /nfs/dbraw/zinc/93/46/00/763934600.db2.gz FCDJBBJUKMGIMW-NVXWUHKLSA-N 1 1 343.475 0.919 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121839 763943465 /nfs/dbraw/zinc/94/34/65/763943465.db2.gz IMZXINWROOZOLE-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123081 763948302 /nfs/dbraw/zinc/94/83/02/763948302.db2.gz BASYVVJCYSBCIV-RDJZCZTQSA-N 1 1 329.448 0.375 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088863534 763950534 /nfs/dbraw/zinc/95/05/34/763950534.db2.gz KLTOEMKSAZVCHJ-ADDUCUOXSA-N 1 1 344.390 0.898 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088863534 763950538 /nfs/dbraw/zinc/95/05/38/763950538.db2.gz KLTOEMKSAZVCHJ-ADDUCUOXSA-N 1 1 344.390 0.898 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)C1CCOCC1 ZINC001052126148 763954669 /nfs/dbraw/zinc/95/46/69/763954669.db2.gz IWGWYIWWGWGPSA-NVXWUHKLSA-N 1 1 334.464 0.791 20 30 ECEDMO CN(C(=O)c1cn(C)cn1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047350887 764079299 /nfs/dbraw/zinc/07/92/99/764079299.db2.gz PZQMZYUWMQEANF-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO CN(C(=O)c1cn(C)cn1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047350887 764079304 /nfs/dbraw/zinc/07/93/04/764079304.db2.gz PZQMZYUWMQEANF-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001052220534 764080277 /nfs/dbraw/zinc/08/02/77/764080277.db2.gz KSMYEHADDQUBQC-HIFRSBDPSA-N 1 1 334.420 0.605 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3nc(C)cc3C)C2)C1=O ZINC001015185360 764096262 /nfs/dbraw/zinc/09/62/62/764096262.db2.gz IOECDGUNUAZMFG-JKSUJKDBSA-N 1 1 345.447 0.477 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3nc(C)cc3C)C2)C1=O ZINC001015185360 764096271 /nfs/dbraw/zinc/09/62/71/764096271.db2.gz IOECDGUNUAZMFG-JKSUJKDBSA-N 1 1 345.447 0.477 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnn(CCC)c3)C2)C1=O ZINC001032017873 764135154 /nfs/dbraw/zinc/13/51/54/764135154.db2.gz GFUIRVWPKFVLRL-MRXNPFEDSA-N 1 1 345.447 0.742 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001047379791 764166934 /nfs/dbraw/zinc/16/69/34/764166934.db2.gz NJXCDUXYYGYUPL-XIRDDKMYSA-N 1 1 348.447 0.846 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC001052290168 764200316 /nfs/dbraw/zinc/20/03/16/764200316.db2.gz LYEHOWCEKBBHDW-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001047393847 764201541 /nfs/dbraw/zinc/20/15/41/764201541.db2.gz YXWWQVPWACCEOH-IKGGRYGDSA-N 1 1 328.412 0.907 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001047393847 764201545 /nfs/dbraw/zinc/20/15/45/764201545.db2.gz YXWWQVPWACCEOH-IKGGRYGDSA-N 1 1 328.412 0.907 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(C)cn3)CC2)C1=O ZINC001052310303 764226960 /nfs/dbraw/zinc/22/69/60/764226960.db2.gz WXFHZJQLFTVCRO-GDBMZVCRSA-N 1 1 345.447 0.791 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001047403133 764230025 /nfs/dbraw/zinc/23/00/25/764230025.db2.gz ATJUNHOMKCQEQQ-BZSNNMDCSA-N 1 1 328.412 0.862 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001047403133 764230030 /nfs/dbraw/zinc/23/00/30/764230030.db2.gz ATJUNHOMKCQEQQ-BZSNNMDCSA-N 1 1 328.412 0.862 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052319862 764243535 /nfs/dbraw/zinc/24/35/35/764243535.db2.gz LDCCWXYCOFAPSP-LBPRGKRZSA-N 1 1 327.392 0.799 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052319862 764243537 /nfs/dbraw/zinc/24/35/37/764243537.db2.gz LDCCWXYCOFAPSP-LBPRGKRZSA-N 1 1 327.392 0.799 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001047406442 764244513 /nfs/dbraw/zinc/24/45/13/764244513.db2.gz WWHANKQWYVIVRD-GJZGRUSLSA-N 1 1 329.404 0.960 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001032040726 764246970 /nfs/dbraw/zinc/24/69/70/764246970.db2.gz SGSBQQNNVWVMBP-DZKIICNBSA-N 1 1 349.431 0.211 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001047408860 764254277 /nfs/dbraw/zinc/25/42/77/764254277.db2.gz GVOUKVXHHFSALT-HOTGVXAUSA-N 1 1 344.411 0.988 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001047408860 764254279 /nfs/dbraw/zinc/25/42/79/764254279.db2.gz GVOUKVXHHFSALT-HOTGVXAUSA-N 1 1 344.411 0.988 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001047409204 764255734 /nfs/dbraw/zinc/25/57/34/764255734.db2.gz GGRYAKREYPQWBK-IRXDYDNUSA-N 1 1 332.448 0.224 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001047409204 764255741 /nfs/dbraw/zinc/25/57/41/764255741.db2.gz GGRYAKREYPQWBK-IRXDYDNUSA-N 1 1 332.448 0.224 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001047413064 764266764 /nfs/dbraw/zinc/26/67/64/764266764.db2.gz UWQDNJLSFKNAIS-TXPKVOOTSA-N 1 1 349.475 0.763 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2COC(=O)N2)C1 ZINC000995269995 764272824 /nfs/dbraw/zinc/27/28/24/764272824.db2.gz ZOFGPQKHLKFESU-JKSUJKDBSA-N 1 1 342.399 0.474 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](C[C@H](F)CC)C[C@@H]1O ZINC001047415112 764273139 /nfs/dbraw/zinc/27/31/39/764273139.db2.gz HNWBYFCLEOPMIX-UGUYLWEFSA-N 1 1 325.428 0.336 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](F)CC)C[C@@H]1O ZINC001047415112 764273147 /nfs/dbraw/zinc/27/31/47/764273147.db2.gz HNWBYFCLEOPMIX-UGUYLWEFSA-N 1 1 325.428 0.336 20 30 ECEDMO CC#CC[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001032042167 764273440 /nfs/dbraw/zinc/27/34/40/764273440.db2.gz RFXSBYLCSMRRLD-FUHWJXTLSA-N 1 1 340.427 0.672 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2coc(C)n2)C[C@@H]1O ZINC001047415453 764274642 /nfs/dbraw/zinc/27/46/42/764274642.db2.gz ZETXZBZPAGITND-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2coc(C)n2)C[C@@H]1O ZINC001047415453 764274650 /nfs/dbraw/zinc/27/46/50/764274650.db2.gz ZETXZBZPAGITND-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001047415354 764275642 /nfs/dbraw/zinc/27/56/42/764275642.db2.gz VKMNNVICLPGCEL-QZWWFDLISA-N 1 1 346.431 0.025 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001047415354 764275645 /nfs/dbraw/zinc/27/56/45/764275645.db2.gz VKMNNVICLPGCEL-QZWWFDLISA-N 1 1 346.431 0.025 20 30 ECEDMO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001060394829 764285112 /nfs/dbraw/zinc/28/51/12/764285112.db2.gz NIYHUQSFFDWAOQ-HNNXBMFYSA-N 1 1 325.453 0.886 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C3CC3)nn2CC)C1 ZINC001047421824 764295238 /nfs/dbraw/zinc/29/52/38/764295238.db2.gz SHPIMYWTKHBCCV-IRXDYDNUSA-N 1 1 330.432 0.921 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)CNc2ccncc2C#N)C1 ZINC001106069455 764301857 /nfs/dbraw/zinc/30/18/57/764301857.db2.gz RANWTDQSVULHQL-GOEBONIOSA-N 1 1 345.447 0.386 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC000995287019 764316961 /nfs/dbraw/zinc/31/69/61/764316961.db2.gz LCHVHZNPAFMFKM-HOTGVXAUSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC000995287019 764316966 /nfs/dbraw/zinc/31/69/66/764316966.db2.gz LCHVHZNPAFMFKM-HOTGVXAUSA-N 1 1 345.443 0.228 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2COC)C1 ZINC001047432792 764329885 /nfs/dbraw/zinc/32/98/85/764329885.db2.gz IFGKCNBAVUQCND-HOTGVXAUSA-N 1 1 336.436 0.650 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C(=O)NCC3CC3)C2)nn1 ZINC001098763093 764333494 /nfs/dbraw/zinc/33/34/94/764333494.db2.gz URGFBFLYPQMNNM-HNNXBMFYSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3c[nH]cn3)[C@H]2C)C1=O ZINC001088884904 764362252 /nfs/dbraw/zinc/36/22/52/764362252.db2.gz SALRWPWMSLINDO-VHDGCEQUSA-N 1 1 331.420 0.318 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncnc3[nH]ccc32)C1 ZINC001047445346 764367825 /nfs/dbraw/zinc/36/78/25/764367825.db2.gz VLDGPLHVFNIJSO-KBPBESRZSA-N 1 1 329.404 0.993 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC001047456478 764400110 /nfs/dbraw/zinc/40/01/10/764400110.db2.gz QWJQHYBICDZUSO-PVAVHDDUSA-N 1 1 346.402 0.904 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC001047456478 764400115 /nfs/dbraw/zinc/40/01/15/764400115.db2.gz QWJQHYBICDZUSO-PVAVHDDUSA-N 1 1 346.402 0.904 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COC1CCOCC1 ZINC001089872656 764400576 /nfs/dbraw/zinc/40/05/76/764400576.db2.gz IDMXGTXKGHOIQB-RANZSIQMSA-N 1 1 332.444 0.984 20 30 ECEDMO CC#CCNCc1cn([C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC001098784887 768210890 /nfs/dbraw/zinc/21/08/90/768210890.db2.gz MKMZTSOINXICBS-MRXNPFEDSA-N 1 1 341.419 0.370 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)c3)[C@@H]2C)nn1 ZINC001088907546 764419081 /nfs/dbraw/zinc/41/90/81/764419081.db2.gz YYQVCITZBIWLRT-OCCSQVGLSA-N 1 1 329.408 0.590 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)[C@@H]2C)nn1 ZINC001088907546 764419087 /nfs/dbraw/zinc/41/90/87/764419087.db2.gz YYQVCITZBIWLRT-OCCSQVGLSA-N 1 1 329.408 0.590 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CCCC)C1 ZINC001047470893 764436774 /nfs/dbraw/zinc/43/67/74/764436774.db2.gz FIVQJMPRQWPXCR-ULQDDVLXSA-N 1 1 337.464 0.014 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CCCC)C1 ZINC001047470893 764436779 /nfs/dbraw/zinc/43/67/79/764436779.db2.gz FIVQJMPRQWPXCR-ULQDDVLXSA-N 1 1 337.464 0.014 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001047473264 764442974 /nfs/dbraw/zinc/44/29/74/764442974.db2.gz PRRMMXPBQMRIKX-ILXRZTDVSA-N 1 1 344.477 0.423 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001047473264 764442976 /nfs/dbraw/zinc/44/29/76/764442976.db2.gz PRRMMXPBQMRIKX-ILXRZTDVSA-N 1 1 344.477 0.423 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cncc(OC)n2)C1 ZINC001089873100 764461157 /nfs/dbraw/zinc/46/11/57/764461157.db2.gz ODGDHFNYAJCOHI-YXWQFLTLSA-N 1 1 326.400 0.901 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001052429524 764478292 /nfs/dbraw/zinc/47/82/92/764478292.db2.gz NGUKVVDMXATOOL-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CNC(=O)C1 ZINC001015379981 764484897 /nfs/dbraw/zinc/48/48/97/764484897.db2.gz ZBNVFYVNAFXSJL-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CNC(=O)C1 ZINC001015379981 764484899 /nfs/dbraw/zinc/48/48/99/764484899.db2.gz ZBNVFYVNAFXSJL-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001047501286 764526942 /nfs/dbraw/zinc/52/69/42/764526942.db2.gz PSIXXMKCNVWJEM-BBWFWOEESA-N 1 1 337.464 0.319 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001047501286 764526945 /nfs/dbraw/zinc/52/69/45/764526945.db2.gz PSIXXMKCNVWJEM-BBWFWOEESA-N 1 1 337.464 0.319 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)c1 ZINC001047521119 764578658 /nfs/dbraw/zinc/57/86/58/764578658.db2.gz KQZVJZHJLVLSJS-SQNIBIBYSA-N 1 1 343.427 0.749 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001089874422 764586672 /nfs/dbraw/zinc/58/66/72/764586672.db2.gz HDDZTSWXMRRXAU-TUUVXOQKSA-N 1 1 345.443 0.784 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCC(C)C)nn2)C1 ZINC001047524474 764588987 /nfs/dbraw/zinc/58/89/87/764588987.db2.gz LCJANLOGYFQVOR-HOTGVXAUSA-N 1 1 333.436 0.465 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001047530357 764610586 /nfs/dbraw/zinc/61/05/86/764610586.db2.gz ACBRMXIFZBNQBH-ULQDDVLXSA-N 1 1 349.475 0.864 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001052553843 764747080 /nfs/dbraw/zinc/74/70/80/764747080.db2.gz LGFSCWDVMVXYKA-XJKSGUPXSA-N 1 1 328.416 0.816 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001052562894 764764145 /nfs/dbraw/zinc/76/41/45/764764145.db2.gz DBVKZATZMVKUGT-CQSZACIVSA-N 1 1 329.466 0.569 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001047589896 764797214 /nfs/dbraw/zinc/79/72/14/764797214.db2.gz QCFMKKRLKIKLLN-KBMXLJTQSA-N 1 1 349.435 0.323 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC001052586042 764802830 /nfs/dbraw/zinc/80/28/30/764802830.db2.gz GOMVOBXBDATKIG-AWEZNQCLSA-N 1 1 341.415 0.939 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)cn1 ZINC001047599195 764837253 /nfs/dbraw/zinc/83/72/53/764837253.db2.gz LQWKCYQAYHKXGY-SQNIBIBYSA-N 1 1 343.427 0.749 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)nc1 ZINC001047601743 764844504 /nfs/dbraw/zinc/84/45/04/764844504.db2.gz JIWFPGQLBAAFJP-SZMVWBNQSA-N 1 1 343.427 0.607 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3[nH]nnc3C)CC2)C1=O ZINC001052618205 764859776 /nfs/dbraw/zinc/85/97/76/764859776.db2.gz SDRVTGHEZUODSR-KBPBESRZSA-N 1 1 346.435 0.484 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC(C)C)c2C)C1 ZINC001047612950 764881090 /nfs/dbraw/zinc/88/10/90/764881090.db2.gz UBZPVRZTHBJSHF-IRXDYDNUSA-N 1 1 332.448 0.988 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127334724 768249068 /nfs/dbraw/zinc/24/90/68/768249068.db2.gz QAFMNHPJRJHOAE-UHFFFAOYSA-N 1 1 334.424 0.575 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)n1 ZINC001052635500 764905527 /nfs/dbraw/zinc/90/55/27/764905527.db2.gz JBYWJXAMUHTMCC-HNNXBMFYSA-N 1 1 339.403 0.866 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cnnn4)cn3)CCC[C@@H]12 ZINC000991976032 765027564 /nfs/dbraw/zinc/02/75/64/765027564.db2.gz QDJXCRWXPBDEOF-WBVHZDCISA-N 1 1 337.387 0.417 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001015601393 765037108 /nfs/dbraw/zinc/03/71/08/765037108.db2.gz LWAUYJBNZIXAMR-HZPDHXFCSA-N 1 1 326.400 0.870 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC1 ZINC001052733693 765052327 /nfs/dbraw/zinc/05/23/27/765052327.db2.gz PNTWXXHQPIIQCE-CQSZACIVSA-N 1 1 330.432 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC1 ZINC001052734560 765053110 /nfs/dbraw/zinc/05/31/10/765053110.db2.gz ZLLNFHLCEYHHCG-CQSZACIVSA-N 1 1 330.432 0.959 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000991983311 765056800 /nfs/dbraw/zinc/05/68/00/765056800.db2.gz GNGRTDKIJVTNSS-PREGVCBESA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000991996961 765100184 /nfs/dbraw/zinc/10/01/84/765100184.db2.gz WAMUGGPNJLDZTE-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)ccc1F ZINC001015633532 765105757 /nfs/dbraw/zinc/10/57/57/765105757.db2.gz HDSCKQDDYPDYRH-GXTWGEPZSA-N 1 1 331.351 0.069 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)ccc1F ZINC001015633532 765105759 /nfs/dbraw/zinc/10/57/59/765105759.db2.gz HDSCKQDDYPDYRH-GXTWGEPZSA-N 1 1 331.351 0.069 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786427 765120479 /nfs/dbraw/zinc/12/04/79/765120479.db2.gz VOBVNGCWUPPTFE-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c1 ZINC001015678761 765149879 /nfs/dbraw/zinc/14/98/79/765149879.db2.gz NAEZQFZBNZUHRT-NVXWUHKLSA-N 1 1 340.427 0.783 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ncccn3)CC2)C1=O ZINC001052811918 765165094 /nfs/dbraw/zinc/16/50/94/765165094.db2.gz UOOJMSDYLDRDQS-LSDHHAIUSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001015724207 765241298 /nfs/dbraw/zinc/24/12/98/765241298.db2.gz POVRULJRZJGVOV-KGLIPLIRSA-N 1 1 331.420 0.618 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001015724207 765241301 /nfs/dbraw/zinc/24/13/01/765241301.db2.gz POVRULJRZJGVOV-KGLIPLIRSA-N 1 1 331.420 0.618 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001052864232 765248975 /nfs/dbraw/zinc/24/89/75/765248975.db2.gz CMNNAJOVMPGPAY-LLVKDONJSA-N 1 1 334.376 0.504 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)cn1 ZINC001052877106 765282306 /nfs/dbraw/zinc/28/23/06/765282306.db2.gz CQCRBWFOSXRZSA-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001052877536 765283236 /nfs/dbraw/zinc/28/32/36/765283236.db2.gz PJZOSSBUXCEPBU-UONOGXRCSA-N 1 1 344.415 0.552 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)cn1 ZINC001052879391 765287494 /nfs/dbraw/zinc/28/74/94/765287494.db2.gz VYGPCJVUHAYLFR-BBRMVZONSA-N 1 1 328.416 0.782 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001052900310 765318084 /nfs/dbraw/zinc/31/80/84/765318084.db2.gz HLDZBNKJRUEJHI-ZDUSSCGKSA-N 1 1 341.843 0.613 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C)n2)C1 ZINC001089126882 765331973 /nfs/dbraw/zinc/33/19/73/765331973.db2.gz KSBVZMPNZAESMF-UKRRQHHQSA-N 1 1 343.431 0.706 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC)C2)cc1 ZINC001015810071 765367291 /nfs/dbraw/zinc/36/72/91/765367291.db2.gz ZELPDSZRTJHTCW-DZGCQCFKSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)cc1 ZINC001015810071 765367294 /nfs/dbraw/zinc/36/72/94/765367294.db2.gz ZELPDSZRTJHTCW-DZGCQCFKSA-N 1 1 329.400 0.637 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)nn1 ZINC001015810978 765369356 /nfs/dbraw/zinc/36/93/56/765369356.db2.gz WUTCWGGWIPUQRF-MRXNPFEDSA-N 1 1 341.415 0.961 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)CN3CCCC3)CC2)C1=O ZINC001052938493 765386950 /nfs/dbraw/zinc/38/69/50/765386950.db2.gz YRANJIWYHAEGBS-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)CN3CCCC3)CC2)C1=O ZINC001052938493 765386960 /nfs/dbraw/zinc/38/69/60/765386960.db2.gz YRANJIWYHAEGBS-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001052982499 765456708 /nfs/dbraw/zinc/45/67/08/765456708.db2.gz VFNMOZNTPDRBKN-DLBZAZTESA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC001053006593 765481143 /nfs/dbraw/zinc/48/11/43/765481143.db2.gz VQHRFGKORJPJFB-HOTGVXAUSA-N 1 1 330.436 0.647 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001127233638 765484125 /nfs/dbraw/zinc/48/41/25/765484125.db2.gz VEAQICXPFRVDBD-AWEZNQCLSA-N 1 1 332.408 0.329 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000992112587 765522839 /nfs/dbraw/zinc/52/28/39/765522839.db2.gz GBTUVYSXGRRZNF-LXVYMNJGSA-N 1 1 329.404 0.463 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000992112516 765523046 /nfs/dbraw/zinc/52/30/46/765523046.db2.gz DIEARWASIMLGQZ-MBHSVXNSSA-N 1 1 329.404 0.463 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCn3cnnn3)C2)C1 ZINC001053047037 765524347 /nfs/dbraw/zinc/52/43/47/765524347.db2.gz OYKAUCWVJNTTSB-HZPDHXFCSA-N 1 1 330.436 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001053052337 765528914 /nfs/dbraw/zinc/52/89/14/765528914.db2.gz UYSVLCHWNDBQDA-HZPDHXFCSA-N 1 1 345.443 0.719 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000992119438 765550663 /nfs/dbraw/zinc/55/06/63/765550663.db2.gz JSEVDCZGQJCDMF-ISXOHVOVSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN2C(=O)CCC2=O)C1 ZINC001053105570 765582203 /nfs/dbraw/zinc/58/22/03/765582203.db2.gz PMXPPFJKXVPIBA-CVEARBPZSA-N 1 1 345.443 0.862 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)cc1 ZINC001077493749 765585675 /nfs/dbraw/zinc/58/56/75/765585675.db2.gz IYMHIPKEBQVDFJ-QZTJIDSGSA-N 1 1 338.411 0.419 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)cc1 ZINC000992160633 765717864 /nfs/dbraw/zinc/71/78/64/765717864.db2.gz OKNDWHMZODURAE-MAUKXSAKSA-N 1 1 342.399 0.687 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001077499558 765722735 /nfs/dbraw/zinc/72/27/35/765722735.db2.gz MAFBVVXWWHBZCX-KBPBESRZSA-N 1 1 348.451 0.431 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1=O ZINC001030825600 765859564 /nfs/dbraw/zinc/85/95/64/765859564.db2.gz NWHROFAIFNIKGH-DOTOQJQBSA-N 1 1 348.491 0.696 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)C2)ccc1F ZINC001016184571 765880864 /nfs/dbraw/zinc/88/08/64/765880864.db2.gz LPJMKNQNUKCTPZ-CQSZACIVSA-N 1 1 328.351 0.680 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cncn3)C2)ccc1F ZINC001016184571 765880869 /nfs/dbraw/zinc/88/08/69/765880869.db2.gz LPJMKNQNUKCTPZ-CQSZACIVSA-N 1 1 328.351 0.680 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)C2CCOCC2)C1 ZINC000992207406 765898870 /nfs/dbraw/zinc/89/88/70/765898870.db2.gz MDPMCBZDQUVBJQ-PREGVCBESA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)C2CCOCC2)C1 ZINC000992207406 765898875 /nfs/dbraw/zinc/89/88/75/765898875.db2.gz MDPMCBZDQUVBJQ-PREGVCBESA-N 1 1 347.459 0.522 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cnc3n1CCOC3)CCO2 ZINC001053296850 765927031 /nfs/dbraw/zinc/92/70/31/765927031.db2.gz ZYMYMUPONHSMBU-UHFFFAOYSA-N 1 1 346.431 0.906 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CCO2 ZINC001053392420 766071760 /nfs/dbraw/zinc/07/17/60/766071760.db2.gz AQFKKSLHWWQICY-OAHLLOKOSA-N 1 1 328.416 0.300 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCOC3(C[NH+](C[C@H]4CCOC4)C3)C2)c1 ZINC001053422092 766106238 /nfs/dbraw/zinc/10/62/38/766106238.db2.gz DELQDMPAPFOQAN-MRXNPFEDSA-N 1 1 341.411 0.626 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)nc1 ZINC001016325566 766116569 /nfs/dbraw/zinc/11/65/69/766116569.db2.gz MTJNILCGJLXUCA-VMBOVVBDSA-N 1 1 340.427 0.876 20 30 ECEDMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n(C)c1=O ZINC001016354911 766175641 /nfs/dbraw/zinc/17/56/41/766175641.db2.gz RNUCKIBLODAOHJ-HNNXBMFYSA-N 1 1 339.399 0.600 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CCO2 ZINC001053467585 766182124 /nfs/dbraw/zinc/18/21/24/766182124.db2.gz LNPAZGGYAPZBTA-DLBZAZTESA-N 1 1 331.460 0.940 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@@H](CC)C(N)=O)CC3)nn1 ZINC000992300459 766199447 /nfs/dbraw/zinc/19/94/47/766199447.db2.gz FVVSBUHTNMIRDU-VBQJREDUSA-N 1 1 346.435 0.455 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCCCN2C(=O)c2cnon2)C1=O ZINC001089244424 766208540 /nfs/dbraw/zinc/20/85/40/766208540.db2.gz MFBGGQSWNAJVCS-ZFWWWQNUSA-N 1 1 347.419 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](C[C@@H]4CCOC4)C3)C2)nc1 ZINC001053512325 766264843 /nfs/dbraw/zinc/26/48/43/766264843.db2.gz PAMHREDQZRZCNI-INIZCTEOSA-N 1 1 341.411 0.626 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)cc1 ZINC001016429366 766283204 /nfs/dbraw/zinc/28/32/04/766283204.db2.gz GMLJOIANTPPXEH-GJZGRUSLSA-N 1 1 340.383 0.302 20 30 ECEDMO C[NH+](C)[C@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)c1ccccc1 ZINC001053542753 766309458 /nfs/dbraw/zinc/30/94/58/766309458.db2.gz OKCGWIAPBBOAMD-INIZCTEOSA-N 1 1 328.416 0.726 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)c3ncn(C)n3)C2)cc1C#N ZINC001031648277 766336253 /nfs/dbraw/zinc/33/62/53/766336253.db2.gz LZEQOWFAXPRKRI-UHFFFAOYSA-N 1 1 340.387 0.557 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001045775266 766354104 /nfs/dbraw/zinc/35/41/04/766354104.db2.gz CGDOCMLJPNLYPX-SQNIBIBYSA-N 1 1 342.443 0.723 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001045777079 766356457 /nfs/dbraw/zinc/35/64/57/766356457.db2.gz CYRXZYZSEIJEAU-UHFFFAOYSA-N 1 1 346.431 0.627 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001045778289 766359786 /nfs/dbraw/zinc/35/97/86/766359786.db2.gz XAOOXDNIVWPPCJ-UHFFFAOYSA-N 1 1 346.431 0.627 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001045782530 766364261 /nfs/dbraw/zinc/36/42/61/766364261.db2.gz HIQGFZHDXOCXKW-PBHICJAKSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001045784955 766367899 /nfs/dbraw/zinc/36/78/99/766367899.db2.gz HELYIOLOXBROKJ-CKEIUWERSA-N 1 1 337.464 0.618 20 30 ECEDMO COC[C@@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)O2 ZINC001053590257 766384149 /nfs/dbraw/zinc/38/41/49/766384149.db2.gz CYGVZIKIMYAAIU-OCCSQVGLSA-N 1 1 332.404 0.884 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3[nH]cnc3c1)O2 ZINC001053604945 766416562 /nfs/dbraw/zinc/41/65/62/766416562.db2.gz UAAKMLJQUBHYED-AWEZNQCLSA-N 1 1 339.399 0.944 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1=O ZINC001031676690 766437988 /nfs/dbraw/zinc/43/79/88/766437988.db2.gz HQNHFWRKDJBKCM-BBWFWOEESA-N 1 1 349.475 0.882 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)O2 ZINC001053625922 766467853 /nfs/dbraw/zinc/46/78/53/766467853.db2.gz JDKKSSHRFHGELF-LSDHHAIUSA-N 1 1 348.447 0.150 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001045947427 766518700 /nfs/dbraw/zinc/51/87/00/766518700.db2.gz FIPUQCZZYZPPTE-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001045947427 766518703 /nfs/dbraw/zinc/51/87/03/766518703.db2.gz FIPUQCZZYZPPTE-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C(=O)NC)nc3)CCC[C@@H]12 ZINC000992414460 766525797 /nfs/dbraw/zinc/52/57/97/766525797.db2.gz XFSCFQYMJQFCBH-QAPCUYQASA-N 1 1 326.400 0.801 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212254523 766528054 /nfs/dbraw/zinc/52/80/54/766528054.db2.gz ZDIJNEPYBGWBKA-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001045969829 766539766 /nfs/dbraw/zinc/53/97/66/766539766.db2.gz ZYJISXBGXIQQIT-KSSFIOAISA-N 1 1 346.431 0.312 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001045979910 766550713 /nfs/dbraw/zinc/55/07/13/766550713.db2.gz MPAAQJRCBNEXPT-SFHVURJKSA-N 1 1 346.431 0.218 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212255673 766550987 /nfs/dbraw/zinc/55/09/87/766550987.db2.gz ONHCUNJCDUXWPF-RRFJBIMHSA-N 1 1 345.447 0.630 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001045983980 766556443 /nfs/dbraw/zinc/55/64/43/766556443.db2.gz UONAGJWTISSDDY-SFHVURJKSA-N 1 1 347.463 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N3CCN(C(=O)CCC)CC3)C2)C1=O ZINC001045994620 766582480 /nfs/dbraw/zinc/58/24/80/766582480.db2.gz DSTDWIUTBAXGOQ-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1OC ZINC001212257963 766596182 /nfs/dbraw/zinc/59/61/82/766596182.db2.gz KUXXRMPTNWYPBP-ARFHVFGLSA-N 1 1 326.437 0.513 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC3(C[NH+](CCCO)C3)O2)cn1 ZINC001053690323 766596525 /nfs/dbraw/zinc/59/65/25/766596525.db2.gz HMZALMKANQVYIM-MRXNPFEDSA-N 1 1 329.400 0.409 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(C)cn3)CC2)C1 ZINC001045999885 766597710 /nfs/dbraw/zinc/59/77/10/766597710.db2.gz TYOLXTNXELPNCN-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)n[nH]3)CC2)C1 ZINC001046006074 766615354 /nfs/dbraw/zinc/61/53/54/766615354.db2.gz FQVZUYIFYGOQOB-MRXNPFEDSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)[nH]n3)CC2)C1 ZINC001046006074 766615357 /nfs/dbraw/zinc/61/53/57/766615357.db2.gz FQVZUYIFYGOQOB-MRXNPFEDSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)[nH]n3)CC2)C1 ZINC001046006074 766615362 /nfs/dbraw/zinc/61/53/62/766615362.db2.gz FQVZUYIFYGOQOB-MRXNPFEDSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1noc3c1COCC3)O2 ZINC001053699095 766615864 /nfs/dbraw/zinc/61/58/64/766615864.db2.gz AIAJIIGNQODCNV-CYBMUJFWSA-N 1 1 345.399 0.734 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)n3cccn3)CC2)C1 ZINC001046006547 766616205 /nfs/dbraw/zinc/61/62/05/766616205.db2.gz OFWYBWXQXJNPFA-IAGOWNOFSA-N 1 1 329.448 0.686 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)n3cccn3)CC2)C1 ZINC001046006822 766616420 /nfs/dbraw/zinc/61/64/20/766616420.db2.gz VJKTXVMEXRJYAI-DLBZAZTESA-N 1 1 329.448 0.686 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccn3)C2)CC1 ZINC001046011244 766636130 /nfs/dbraw/zinc/63/61/30/766636130.db2.gz AXSLMTLKAHLBGZ-WBVHZDCISA-N 1 1 327.432 0.960 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnn(C)c3)CC2)C1 ZINC001046011648 766636616 /nfs/dbraw/zinc/63/66/16/766636616.db2.gz GMDKBTSNOKURAT-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO Cc1conc1C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011954 766638552 /nfs/dbraw/zinc/63/85/52/766638552.db2.gz JITBLXOCKCIUIO-ZFWWWQNUSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1conc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011954 766638555 /nfs/dbraw/zinc/63/85/55/766638555.db2.gz JITBLXOCKCIUIO-ZFWWWQNUSA-N 1 1 331.420 0.861 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001046013518 766643377 /nfs/dbraw/zinc/64/33/77/766643377.db2.gz ZOSNNOMMFYESQE-ZIAGYGMSSA-N 1 1 340.855 0.236 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001046013518 766643384 /nfs/dbraw/zinc/64/33/84/766643384.db2.gz ZOSNNOMMFYESQE-ZIAGYGMSSA-N 1 1 340.855 0.236 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 ZINC001046020916 766664541 /nfs/dbraw/zinc/66/45/41/766664541.db2.gz YWCGMGACHOIGDV-HOTGVXAUSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 ZINC001046022672 766669621 /nfs/dbraw/zinc/66/96/21/766669621.db2.gz VOHCTOZXTRGRFM-JKSUJKDBSA-N 1 1 330.436 0.081 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccnn3C)CC2)C1 ZINC001046022872 766670656 /nfs/dbraw/zinc/67/06/56/766670656.db2.gz ZUXPGVFKFCFIKX-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CN=NC3=O)CC2)C1 ZINC001046023449 766672082 /nfs/dbraw/zinc/67/20/82/766672082.db2.gz NJPOGTDTWPKINY-HNNXBMFYSA-N 1 1 348.451 0.168 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 ZINC001046023476 766672873 /nfs/dbraw/zinc/67/28/73/766672873.db2.gz NXHRNVWNAAZDAS-HOTGVXAUSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nccn3CC)CC2)C1 ZINC001046024855 766677502 /nfs/dbraw/zinc/67/75/02/766677502.db2.gz CDDLOQJNVJFSRN-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 ZINC001046027247 766685798 /nfs/dbraw/zinc/68/57/98/766685798.db2.gz LGXKVPQBYRQKAM-IRXDYDNUSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C3CCC(O)CC3)CC2)C1 ZINC001046027392 766685815 /nfs/dbraw/zinc/68/58/15/766685815.db2.gz KZMXCIQMEFNEPQ-ADKAHSJRSA-N 1 1 333.476 0.779 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nccn3CC)CC2)C1 ZINC001046028579 766691549 /nfs/dbraw/zinc/69/15/49/766691549.db2.gz UULGECMDQJDAKY-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC001046029973 766695305 /nfs/dbraw/zinc/69/53/05/766695305.db2.gz HCQGOURNEYXJFI-HNNXBMFYSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCCOC2)C1 ZINC000994751027 766696842 /nfs/dbraw/zinc/69/68/42/766696842.db2.gz LOMLISFSUCUABJ-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCCOC2)C1 ZINC000994751027 766696844 /nfs/dbraw/zinc/69/68/44/766696844.db2.gz LOMLISFSUCUABJ-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)c3ccnn3C)CC2)C1 ZINC001046031140 766699821 /nfs/dbraw/zinc/69/98/21/766699821.db2.gz KBCFTBCDIIPJSH-IRXDYDNUSA-N 1 1 343.475 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CCCCO2)C1 ZINC000994752571 766702537 /nfs/dbraw/zinc/70/25/37/766702537.db2.gz SLXSGIRXMYHJKN-CVEARBPZSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CCCCO2)C1 ZINC000994752571 766702546 /nfs/dbraw/zinc/70/25/46/766702546.db2.gz SLXSGIRXMYHJKN-CVEARBPZSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)COC2CCCC2)C1 ZINC000994753275 766709268 /nfs/dbraw/zinc/70/92/68/766709268.db2.gz XZEKDVMEROOCPO-INIZCTEOSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)COC2CCCC2)C1 ZINC000994753275 766709277 /nfs/dbraw/zinc/70/92/77/766709277.db2.gz XZEKDVMEROOCPO-INIZCTEOSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2conc2C(C)C)C1 ZINC000994754954 766709989 /nfs/dbraw/zinc/70/99/89/766709989.db2.gz PDJMDYQGUCESTQ-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2conc2C(C)C)C1 ZINC000994754954 766709992 /nfs/dbraw/zinc/70/99/92/766709992.db2.gz PDJMDYQGUCESTQ-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000994753356 766710000 /nfs/dbraw/zinc/71/00/00/766710000.db2.gz ZEQLDZXVKPNVHX-ZBFHGGJFSA-N 1 1 328.416 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000994753356 766710004 /nfs/dbraw/zinc/71/00/04/766710004.db2.gz ZEQLDZXVKPNVHX-ZBFHGGJFSA-N 1 1 328.416 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)nsc2C)C1 ZINC000994753622 766712181 /nfs/dbraw/zinc/71/21/81/766712181.db2.gz JEPCKGBRIHJWIW-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)nsc2C)C1 ZINC000994753622 766712184 /nfs/dbraw/zinc/71/21/84/766712184.db2.gz JEPCKGBRIHJWIW-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046035134 766717653 /nfs/dbraw/zinc/71/76/53/766717653.db2.gz FMZQWFJSZBLSNY-MSOLQXFVSA-N 1 1 347.507 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CCCOC2)C1 ZINC000994756377 766719030 /nfs/dbraw/zinc/71/90/30/766719030.db2.gz WWOYFHWVGKVUOW-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CCCOC2)C1 ZINC000994756377 766719038 /nfs/dbraw/zinc/71/90/38/766719038.db2.gz WWOYFHWVGKVUOW-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4nccn43)CC2)C1 ZINC001046035215 766719639 /nfs/dbraw/zinc/71/96/39/766719639.db2.gz HHFUQWTTWRXYMB-IAGOWNOFSA-N 1 1 341.459 0.612 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nc(CC)c[nH]3)CC2)C1 ZINC001046036397 766727244 /nfs/dbraw/zinc/72/72/44/766727244.db2.gz ITQJGFQLZAVFCJ-MRXNPFEDSA-N 1 1 329.448 0.366 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nc(CC)c[nH]3)CC2)C1 ZINC001046036943 766729189 /nfs/dbraw/zinc/72/91/89/766729189.db2.gz PZTAFERYJHXNIW-QGZVFWFLSA-N 1 1 343.475 0.756 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001046037357 766733453 /nfs/dbraw/zinc/73/34/53/766733453.db2.gz XOFVKSMKQREMJA-OALUTQOASA-N 1 1 344.503 0.879 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cnccc2C)C1 ZINC000994758634 766734386 /nfs/dbraw/zinc/73/43/86/766734386.db2.gz MKGGPYGXVMDZEO-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cnccc2C)C1 ZINC000994758634 766734390 /nfs/dbraw/zinc/73/43/90/766734390.db2.gz MKGGPYGXVMDZEO-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1OC ZINC001212264257 766742261 /nfs/dbraw/zinc/74/22/61/766742261.db2.gz FESJXRNFJQJZGL-KBAYOESNSA-N 1 1 346.427 0.919 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1OC ZINC001212264257 766742267 /nfs/dbraw/zinc/74/22/67/766742267.db2.gz FESJXRNFJQJZGL-KBAYOESNSA-N 1 1 346.427 0.919 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)n3cnc(C)c3)CC2)C1 ZINC001046039648 766743242 /nfs/dbraw/zinc/74/32/42/766743242.db2.gz UNACKKBGIPTKRL-KRWDZBQOSA-N 1 1 343.475 0.778 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046041238 766751506 /nfs/dbraw/zinc/75/15/06/766751506.db2.gz OXGACOYMDGBVSQ-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3CCC(C(N)=O)CC3)CC2)C1 ZINC001046041595 766752512 /nfs/dbraw/zinc/75/25/12/766752512.db2.gz SRTCWMIGCZLVGT-JCYILVPMSA-N 1 1 346.475 0.130 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)C1 ZINC001046042825 766757424 /nfs/dbraw/zinc/75/74/24/766757424.db2.gz NMYMOVIHBHSENO-OAHLLOKOSA-N 1 1 341.459 0.754 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC3(C[C@H]3NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001016704653 766761276 /nfs/dbraw/zinc/76/12/76/766761276.db2.gz NMTVGGDDQCZRSS-ZIAGYGMSSA-N 1 1 344.419 0.176 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)C1 ZINC001046043497 766761765 /nfs/dbraw/zinc/76/17/65/766761765.db2.gz HFPXJUKMTGXEES-CQSZACIVSA-N 1 1 346.431 0.402 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(OC)nc3)CC2)C1 ZINC001046043812 766763234 /nfs/dbraw/zinc/76/32/34/766763234.db2.gz DSRDUYYSMGGXLK-QGZVFWFLSA-N 1 1 342.443 0.946 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@H]12 ZINC000992522125 766763533 /nfs/dbraw/zinc/76/35/33/766763533.db2.gz DIPNBZXSAIBIBS-WMLDXEAASA-N 1 1 346.435 0.456 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C(N)=O)cn3)CCC[C@@H]12 ZINC000992520358 766764404 /nfs/dbraw/zinc/76/44/04/766764404.db2.gz GYEZCGAZSMEMBI-QAPCUYQASA-N 1 1 326.400 0.931 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncc(OC)cn3)CC2)C1 ZINC001046043980 766765253 /nfs/dbraw/zinc/76/52/53/766765253.db2.gz GMDROIISOVWFIC-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc4nnnn4c3)CC2)C1 ZINC001046045537 766772181 /nfs/dbraw/zinc/77/21/81/766772181.db2.gz ZFLJAJMHDUSKPP-HNNXBMFYSA-N 1 1 341.419 0.142 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ccnc(C)n3)CC2)C1 ZINC001046045450 766772330 /nfs/dbraw/zinc/77/23/30/766772330.db2.gz IQFOTOSLPCGKRC-SFHVURJKSA-N 1 1 341.459 0.569 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001046046441 766774612 /nfs/dbraw/zinc/77/46/12/766774612.db2.gz DHLDEAZDYOKJBI-DLBZAZTESA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC001046047055 766776051 /nfs/dbraw/zinc/77/60/51/766776051.db2.gz IAQQGYYJHLKHTP-MRXNPFEDSA-N 1 1 332.452 0.245 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3nccn3C)CC2)C1 ZINC001046047056 766776143 /nfs/dbraw/zinc/77/61/43/766776143.db2.gz IBRKUQXMUYJMCH-INIZCTEOSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001046047847 766779531 /nfs/dbraw/zinc/77/95/31/766779531.db2.gz YZXPVPTTZKCJJQ-WXJALIKYSA-N 1 1 343.471 0.652 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)c1 ZINC001053766452 766785209 /nfs/dbraw/zinc/78/52/09/766785209.db2.gz NPMCPKLSJLGUEG-JSGCOSHPSA-N 1 1 330.388 0.496 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)C1 ZINC001046050171 766785497 /nfs/dbraw/zinc/78/54/97/766785497.db2.gz GKXQPGVLWRQJQL-OAHLLOKOSA-N 1 1 343.431 0.264 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC001046057301 766813069 /nfs/dbraw/zinc/81/30/69/766813069.db2.gz YGZQSJZQDMLPOL-HNNXBMFYSA-N 1 1 345.447 0.899 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccnc3OC)CC2)C1 ZINC001046057671 766814529 /nfs/dbraw/zinc/81/45/29/766814529.db2.gz TVHOAHYCOFEXPQ-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@H]3CC[N@H+]([C@H](C)C(N)=O)C3)CC2)C1 ZINC001046059400 766823300 /nfs/dbraw/zinc/82/33/00/766823300.db2.gz GMLSDGNXJDIWLL-CABCVRRESA-N 1 1 334.464 0.435 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046060143 766823811 /nfs/dbraw/zinc/82/38/11/766823811.db2.gz WEBZCZOLKCZRPL-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046060226 766826413 /nfs/dbraw/zinc/82/64/13/766826413.db2.gz XWMOXTDXOZBCCI-CVEARBPZSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cn[nH]n3)CC2)C1 ZINC001046062342 766834469 /nfs/dbraw/zinc/83/44/69/766834469.db2.gz FPBCEAPHSDGGDU-MRXNPFEDSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001046062342 766834478 /nfs/dbraw/zinc/83/44/78/766834478.db2.gz FPBCEAPHSDGGDU-MRXNPFEDSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001046062342 766834488 /nfs/dbraw/zinc/83/44/88/766834488.db2.gz FPBCEAPHSDGGDU-MRXNPFEDSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001046062342 766834497 /nfs/dbraw/zinc/83/44/97/766834497.db2.gz FPBCEAPHSDGGDU-MRXNPFEDSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001046062342 766834508 /nfs/dbraw/zinc/83/45/08/766834508.db2.gz FPBCEAPHSDGGDU-MRXNPFEDSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC001046063054 766837738 /nfs/dbraw/zinc/83/77/38/766837738.db2.gz KUUWNDVGXOIWNQ-ZACQAIPSSA-N 1 1 337.464 0.442 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)nn3CC)CC2)C1 ZINC001046064947 766845540 /nfs/dbraw/zinc/84/55/40/766845540.db2.gz BKQCCCIWRUZGEX-MRXNPFEDSA-N 1 1 329.448 0.677 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC001046064864 766846134 /nfs/dbraw/zinc/84/61/34/766846134.db2.gz WXTKKSNAOFDODR-AWEZNQCLSA-N 1 1 345.447 0.522 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992552654 766854982 /nfs/dbraw/zinc/85/49/82/766854982.db2.gz YFVLTRSKOHFCCK-XHBSWPGZSA-N 1 1 339.823 0.905 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992552654 766854990 /nfs/dbraw/zinc/85/49/90/766854990.db2.gz YFVLTRSKOHFCCK-XHBSWPGZSA-N 1 1 339.823 0.905 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cn[nH]c3)CC2)C1 ZINC001046068888 766865094 /nfs/dbraw/zinc/86/50/94/766865094.db2.gz WNVXFIAVYGOHQL-QGZVFWFLSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nn(C)c(C)c3Cl)CC2)C1 ZINC001046069996 766871338 /nfs/dbraw/zinc/87/13/38/766871338.db2.gz LBRJBTYNFLDBKG-AWEZNQCLSA-N 1 1 349.866 0.847 20 30 ECEDMO CCN(c1nc(C)cc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089650743 766872723 /nfs/dbraw/zinc/87/27/23/766872723.db2.gz SDPYCMZEIHQOAV-ZIAGYGMSSA-N 1 1 330.436 0.939 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc(OC)n3)CC2)C1 ZINC001046074975 766893335 /nfs/dbraw/zinc/89/33/35/766893335.db2.gz LTLIUWHQYYWQKB-OAHLLOKOSA-N 1 1 328.416 0.556 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CCC)nn3)CC2)C1 ZINC001046075990 766900976 /nfs/dbraw/zinc/90/09/76/766900976.db2.gz ZKXWBYOPUYKANK-INIZCTEOSA-N 1 1 344.463 0.544 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC001046078408 766910684 /nfs/dbraw/zinc/91/06/84/766910684.db2.gz WRRLESBYCFOMKD-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC001046078685 766911809 /nfs/dbraw/zinc/91/18/09/766911809.db2.gz LZVGCMRCPYDCSM-HNNXBMFYSA-N 1 1 345.447 0.893 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccn3nnnc13)CO2 ZINC001053814859 766912659 /nfs/dbraw/zinc/91/26/59/766912659.db2.gz XYUAXJVCKHRIKU-CYBMUJFWSA-N 1 1 342.403 0.664 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046079623 766914291 /nfs/dbraw/zinc/91/42/91/766914291.db2.gz XMNUWHHGWSBCHV-CYBMUJFWSA-N 1 1 338.843 0.318 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046079623 766914298 /nfs/dbraw/zinc/91/42/98/766914298.db2.gz XMNUWHHGWSBCHV-CYBMUJFWSA-N 1 1 338.843 0.318 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3c(C)n[nH]c3C)CC2)C1 ZINC001046081503 766919095 /nfs/dbraw/zinc/91/90/95/766919095.db2.gz GQRHCQIMJNANPM-KRWDZBQOSA-N 1 1 343.475 0.811 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083255 766922826 /nfs/dbraw/zinc/92/28/26/766922826.db2.gz OHLAXNOINZALBJ-MRXNPFEDSA-N 1 1 332.452 0.463 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3noc4c3COCC4)CC2)C1 ZINC001046085030 766926025 /nfs/dbraw/zinc/92/60/25/766926025.db2.gz CPGRRRWGAVCONE-CQSZACIVSA-N 1 1 346.431 0.765 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)N3CCCC3=O)CC2)C1 ZINC001046086005 766928202 /nfs/dbraw/zinc/92/82/02/766928202.db2.gz LTZWXWIUJGKYFE-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC001046087007 766929694 /nfs/dbraw/zinc/92/96/94/766929694.db2.gz OLJPHGNNTWKQIO-ZWKOTPCHSA-N 1 1 346.475 0.239 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(CC)C1)CO2 ZINC001053820633 766935055 /nfs/dbraw/zinc/93/50/55/766935055.db2.gz HPPHWMFSQFEUET-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)cc1 ZINC000992579729 766946690 /nfs/dbraw/zinc/94/66/90/766946690.db2.gz DJPNCDSWQGHBRH-KRWDZBQOSA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)cc1 ZINC000992579729 766946698 /nfs/dbraw/zinc/94/66/98/766946698.db2.gz DJPNCDSWQGHBRH-KRWDZBQOSA-N 1 1 341.411 0.329 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)nn1 ZINC001098779604 766949104 /nfs/dbraw/zinc/94/91/04/766949104.db2.gz ILADVRMXDNFMPP-HOCLYGCPSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001046123589 766953961 /nfs/dbraw/zinc/95/39/61/766953961.db2.gz FHXQUPIJGJQBDY-YJBOKZPZSA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001046123589 766953963 /nfs/dbraw/zinc/95/39/63/766953963.db2.gz FHXQUPIJGJQBDY-YJBOKZPZSA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C)no3)C2)C1=O ZINC001046132224 766965422 /nfs/dbraw/zinc/96/54/22/766965422.db2.gz CIQVGXZRZLJRLZ-GUYCJALGSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C)no3)C2)C1=O ZINC001046132224 766965425 /nfs/dbraw/zinc/96/54/25/766965425.db2.gz CIQVGXZRZLJRLZ-GUYCJALGSA-N 1 1 332.404 0.964 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001042007913 782591613 /nfs/dbraw/zinc/59/16/13/782591613.db2.gz YESJVFVBTZDVST-RYUDHWBXSA-N 1 1 325.800 0.659 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001042007913 782591620 /nfs/dbraw/zinc/59/16/20/782591620.db2.gz YESJVFVBTZDVST-RYUDHWBXSA-N 1 1 325.800 0.659 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001046155061 766986982 /nfs/dbraw/zinc/98/69/82/766986982.db2.gz JZZBWHKAXNIFOY-YJBOKZPZSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001046155061 766986989 /nfs/dbraw/zinc/98/69/89/766986989.db2.gz JZZBWHKAXNIFOY-YJBOKZPZSA-N 1 1 345.447 0.710 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(C)CCNC(=O)C1)CO2 ZINC001053843308 766996491 /nfs/dbraw/zinc/99/64/91/766996491.db2.gz JOLPKJPZKNOYST-PBHICJAKSA-N 1 1 335.448 0.828 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](Cc1cn(C)nn1)CC2 ZINC001016832349 767011794 /nfs/dbraw/zinc/01/17/94/767011794.db2.gz AFEFDVNFVCASKJ-OWCLPIDISA-N 1 1 345.447 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000938635696 767033897 /nfs/dbraw/zinc/03/38/97/767033897.db2.gz VYYUBVLGBVNEHV-XHSDSOJGSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000938635696 767033903 /nfs/dbraw/zinc/03/39/03/767033903.db2.gz VYYUBVLGBVNEHV-XHSDSOJGSA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001016859072 767048005 /nfs/dbraw/zinc/04/80/05/767048005.db2.gz KKRHYADMIANBBU-LSDHHAIUSA-N 1 1 338.473 0.805 20 30 ECEDMO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001046219151 767084725 /nfs/dbraw/zinc/08/47/25/767084725.db2.gz ATQQBFFIBIIADC-QGZVFWFLSA-N 1 1 329.404 0.703 20 30 ECEDMO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001046219151 767084735 /nfs/dbraw/zinc/08/47/35/767084735.db2.gz ATQQBFFIBIIADC-QGZVFWFLSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC3(C[C@@H]3NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001016883468 767094245 /nfs/dbraw/zinc/09/42/45/767094245.db2.gz CEPKAIMUNBLCIZ-STQMWFEESA-N 1 1 344.419 0.176 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC3(C[C@@H]3NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001016883468 767094252 /nfs/dbraw/zinc/09/42/52/767094252.db2.gz CEPKAIMUNBLCIZ-STQMWFEESA-N 1 1 344.419 0.176 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)CO2 ZINC001053872955 767096460 /nfs/dbraw/zinc/09/64/60/767096460.db2.gz MIGKPQGEFCVWDV-OAHLLOKOSA-N 1 1 342.443 0.745 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC000938755867 767106940 /nfs/dbraw/zinc/10/69/40/767106940.db2.gz AVWDASGUOJXMDI-CVEARBPZSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC000938755867 767106942 /nfs/dbraw/zinc/10/69/42/767106942.db2.gz AVWDASGUOJXMDI-CVEARBPZSA-N 1 1 343.431 0.109 20 30 ECEDMO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001046248763 767108384 /nfs/dbraw/zinc/10/83/84/767108384.db2.gz RNCWEDXWCYKGGB-QGZVFWFLSA-N 1 1 343.387 0.230 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)CC[N@H+]1C ZINC001106141310 767114643 /nfs/dbraw/zinc/11/46/43/767114643.db2.gz AWEZLDKYAAXDNE-SOUVJXGZSA-N 1 1 331.420 0.573 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000938824685 767122680 /nfs/dbraw/zinc/12/26/80/767122680.db2.gz HURJDMGPAYOSCK-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046287178 767128588 /nfs/dbraw/zinc/12/85/88/767128588.db2.gz INLWUODVIXTIBF-PBHICJAKSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046287178 767128590 /nfs/dbraw/zinc/12/85/90/767128590.db2.gz INLWUODVIXTIBF-PBHICJAKSA-N 1 1 346.362 0.886 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)[C@H](OC)C1 ZINC001212282411 767130318 /nfs/dbraw/zinc/13/03/18/767130318.db2.gz RZDMORYYSLKECF-IAOVAPTHSA-N 1 1 348.447 0.848 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CO2 ZINC001053880642 767138748 /nfs/dbraw/zinc/13/87/48/767138748.db2.gz TZYQWHQFSGOLFX-XUWVNRHRSA-N 1 1 336.432 0.574 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001046312184 767141381 /nfs/dbraw/zinc/14/13/81/767141381.db2.gz RYIZTFIISBFCIB-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001046312444 767141703 /nfs/dbraw/zinc/14/17/03/767141703.db2.gz XYXXBGNUEWANSH-AWEZNQCLSA-N 1 1 335.448 0.517 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)o1 ZINC001089797045 767221697 /nfs/dbraw/zinc/22/16/97/767221697.db2.gz INVVKNNHOQHGAK-YJNKXOJESA-N 1 1 329.400 0.784 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1ccnn1 ZINC001089798112 767222364 /nfs/dbraw/zinc/22/23/64/767222364.db2.gz RIWYTWIOFSGMRN-NXOAAHMSSA-N 1 1 327.432 0.860 20 30 ECEDMO Cn1nnnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C#CC2CC2)C1 ZINC001089805105 767233173 /nfs/dbraw/zinc/23/31/73/767233173.db2.gz AGZMFDPZTQREPP-VGWMRTNUSA-N 1 1 340.431 0.292 20 30 ECEDMO Cn1nnnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C#CC2CC2)C1 ZINC001089805105 767233174 /nfs/dbraw/zinc/23/31/74/767233174.db2.gz AGZMFDPZTQREPP-VGWMRTNUSA-N 1 1 340.431 0.292 20 30 ECEDMO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)nn1 ZINC001089808026 767236598 /nfs/dbraw/zinc/23/65/98/767236598.db2.gz FQLHTEQZBFYPJW-HPBDAGMYSA-N 1 1 339.443 0.897 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@](O)(CNC(=O)CC[N@H+](C)CC)C2)C1 ZINC001040901442 767249186 /nfs/dbraw/zinc/24/91/86/767249186.db2.gz JNXUCBIAZNVZKK-GOSISDBHSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001046509944 767269313 /nfs/dbraw/zinc/26/93/13/767269313.db2.gz QEBWDKLCFCYDLL-KRWDZBQOSA-N 1 1 327.388 0.549 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)CC[N@H+](C)CC)C2)CC1 ZINC001046525508 767279048 /nfs/dbraw/zinc/27/90/48/767279048.db2.gz MFNFHARAPCRBRG-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046537678 767288350 /nfs/dbraw/zinc/28/83/50/767288350.db2.gz CJPHUVWRLMRPOU-CJNGLKHVSA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046537678 767288353 /nfs/dbraw/zinc/28/83/53/767288353.db2.gz CJPHUVWRLMRPOU-CJNGLKHVSA-N 1 1 332.429 0.836 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3snnc3CC)C2)C1=O ZINC001031823143 767290251 /nfs/dbraw/zinc/29/02/51/767290251.db2.gz POVVVTKDTCNEKP-ZDUSSCGKSA-N 1 1 349.460 0.549 20 30 ECEDMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001046544965 767295869 /nfs/dbraw/zinc/29/58/69/767295869.db2.gz VVYLEHPIXGTQIM-INIZCTEOSA-N 1 1 343.366 0.615 20 30 ECEDMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001046544965 767295872 /nfs/dbraw/zinc/29/58/72/767295872.db2.gz VVYLEHPIXGTQIM-INIZCTEOSA-N 1 1 343.366 0.615 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)C#CC4CC4)C[C@H]32)n1 ZINC000992684236 767303380 /nfs/dbraw/zinc/30/33/80/767303380.db2.gz ZKRQZGZGZLRIQY-RBSFLKMASA-N 1 1 328.420 0.340 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccnn1CCOC ZINC001089822945 767339052 /nfs/dbraw/zinc/33/90/52/767339052.db2.gz BKQTVYGFHLAYBM-NXOAAHMSSA-N 1 1 342.443 0.945 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc2n1CCOC2 ZINC001089823548 767340579 /nfs/dbraw/zinc/34/05/79/767340579.db2.gz AWXSNCDADDTEJF-JJXSEGSLSA-N 1 1 340.427 0.829 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC001046605889 767357300 /nfs/dbraw/zinc/35/73/00/767357300.db2.gz YCQBNHZQKUJAOK-SCLBCKFNSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC001046605889 767357310 /nfs/dbraw/zinc/35/73/10/767357310.db2.gz YCQBNHZQKUJAOK-SCLBCKFNSA-N 1 1 328.416 0.734 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106147404 767369831 /nfs/dbraw/zinc/36/98/31/767369831.db2.gz NTCWLAZWVYQHRE-CVEARBPZSA-N 1 1 331.420 0.717 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046638760 767408576 /nfs/dbraw/zinc/40/85/76/767408576.db2.gz REIJLMDTWLMPKI-ZNMIVQPWSA-N 1 1 342.447 0.951 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1C(=O)CCC1=O ZINC001089834776 767413418 /nfs/dbraw/zinc/41/34/18/767413418.db2.gz SCMVXWYYYFOOES-JJXSEGSLSA-N 1 1 343.427 0.328 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ncc(OC)cn2)C1 ZINC001089836983 767432702 /nfs/dbraw/zinc/43/27/02/767432702.db2.gz WUOWZFVYBLJAMP-TUUVXOQKSA-N 1 1 326.400 0.901 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc3nnnn3c2)C1 ZINC001089836806 767432961 /nfs/dbraw/zinc/43/29/61/767432961.db2.gz UQNGGWMCUYMJEW-TUUVXOQKSA-N 1 1 336.399 0.540 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2COC3(C[NH+](CC[C@H](C)F)C3)C2)nn1 ZINC001053950110 767433930 /nfs/dbraw/zinc/43/39/30/767433930.db2.gz UWQMSHAHHLZDNE-STQMWFEESA-N 1 1 337.399 0.785 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CCC[C@@H]3C)C2)CCC1 ZINC001046672344 767453846 /nfs/dbraw/zinc/45/38/46/767453846.db2.gz RMOANZDOHKCTJS-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001046681639 767471550 /nfs/dbraw/zinc/47/15/50/767471550.db2.gz QQPLUZRJDUQSDC-WBMJQRKESA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001046681639 767471554 /nfs/dbraw/zinc/47/15/54/767471554.db2.gz QQPLUZRJDUQSDC-WBMJQRKESA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001046681544 767471592 /nfs/dbraw/zinc/47/15/92/767471592.db2.gz ONKZXDAEQTVBEQ-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001046681544 767471595 /nfs/dbraw/zinc/47/15/95/767471595.db2.gz ONKZXDAEQTVBEQ-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N(C)C3CC3)C2)nn1 ZINC001046682075 767472560 /nfs/dbraw/zinc/47/25/60/767472560.db2.gz VQWGLFOYYCSIHP-QGZVFWFLSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N(C)C3CC3)C2)nn1 ZINC001046682075 767472567 /nfs/dbraw/zinc/47/25/67/767472567.db2.gz VQWGLFOYYCSIHP-QGZVFWFLSA-N 1 1 346.435 0.279 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001106169797 767479884 /nfs/dbraw/zinc/47/98/84/767479884.db2.gz LZAPDPZJEIKKEG-GJZGRUSLSA-N 1 1 346.435 0.358 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001046689808 767486247 /nfs/dbraw/zinc/48/62/47/767486247.db2.gz OXRQWFJCPKHEIB-INIZCTEOSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001046689808 767486250 /nfs/dbraw/zinc/48/62/50/767486250.db2.gz OXRQWFJCPKHEIB-INIZCTEOSA-N 1 1 334.424 0.137 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CCC1 ZINC001046691741 767490868 /nfs/dbraw/zinc/49/08/68/767490868.db2.gz LJNCNZXVMSNFFC-CABCVRRESA-N 1 1 347.459 0.067 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(CCOC)c1)CO2 ZINC001053996609 767555863 /nfs/dbraw/zinc/55/58/63/767555863.db2.gz OLPQWJQHWOFYBV-HNNXBMFYSA-N 1 1 334.420 0.679 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001046735604 767560785 /nfs/dbraw/zinc/56/07/85/767560785.db2.gz QTILAXBZJYFABC-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001046735604 767560792 /nfs/dbraw/zinc/56/07/92/767560792.db2.gz QTILAXBZJYFABC-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C(N)=O)n1)CO2 ZINC001054020171 767614282 /nfs/dbraw/zinc/61/42/82/767614282.db2.gz HNXQLRIZAMRJFO-GFCCVEGCSA-N 1 1 330.388 0.330 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001054049062 767647580 /nfs/dbraw/zinc/64/75/80/767647580.db2.gz PLFGTUGLHXCKFV-SJORKVTESA-N 1 1 325.412 0.689 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001054049062 767647581 /nfs/dbraw/zinc/64/75/81/767647581.db2.gz PLFGTUGLHXCKFV-SJORKVTESA-N 1 1 325.412 0.689 20 30 ECEDMO C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001054050355 767650327 /nfs/dbraw/zinc/65/03/27/767650327.db2.gz BHTNUCFIQXZJOF-HZPDHXFCSA-N 1 1 328.416 0.787 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001054052027 767651212 /nfs/dbraw/zinc/65/12/12/767651212.db2.gz NGYBSCIQKAICTP-JKSUJKDBSA-N 1 1 326.400 0.234 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CN(C)Cc2cnon2)C1 ZINC001017147604 767652661 /nfs/dbraw/zinc/65/26/61/767652661.db2.gz ATNXQZZWPWLVTH-RDJZCZTQSA-N 1 1 345.447 0.838 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CN(C)Cc2cnon2)C1 ZINC001017147604 767652664 /nfs/dbraw/zinc/65/26/64/767652664.db2.gz ATNXQZZWPWLVTH-RDJZCZTQSA-N 1 1 345.447 0.838 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)COC)C3)C1=O ZINC001054063119 767660500 /nfs/dbraw/zinc/66/05/00/767660500.db2.gz SXIASWVLZRBYFF-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)N1C(=O)CCC1=O)C2 ZINC001054141531 767735960 /nfs/dbraw/zinc/73/59/60/767735960.db2.gz MFSRFAOYRKIVSV-DNVCBOLYSA-N 1 1 345.443 0.862 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C(N)=O)C3)c1 ZINC001054187990 767787488 /nfs/dbraw/zinc/78/74/88/767787488.db2.gz DMAHJPSAQSHHRH-SFHVURJKSA-N 1 1 344.390 0.997 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001054200831 767797721 /nfs/dbraw/zinc/79/77/21/767797721.db2.gz LVXXCHOLJGIMCA-JTDSTZFVSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001054236229 767845675 /nfs/dbraw/zinc/84/56/75/767845675.db2.gz GZDINHDJWSCWTE-SFHVURJKSA-N 1 1 348.447 0.771 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001054237032 767846220 /nfs/dbraw/zinc/84/62/20/767846220.db2.gz QWBYSQLEAYKAGD-KDOFPFPSSA-N 1 1 346.431 0.312 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001042044650 782664130 /nfs/dbraw/zinc/66/41/30/782664130.db2.gz RMYOIZKNNQYCHO-CVEARBPZSA-N 1 1 343.427 0.472 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)C1 ZINC001054935695 768443857 /nfs/dbraw/zinc/44/38/57/768443857.db2.gz VKBDYKNCIOVFOK-BSWAZPDLSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)C1 ZINC001054935695 768443860 /nfs/dbraw/zinc/44/38/60/768443860.db2.gz VKBDYKNCIOVFOK-BSWAZPDLSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)C1 ZINC001054935618 768443923 /nfs/dbraw/zinc/44/39/23/768443923.db2.gz RXSCZPANIPWDLR-YQFWSFKMSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)C1 ZINC001054935618 768443926 /nfs/dbraw/zinc/44/39/26/768443926.db2.gz RXSCZPANIPWDLR-YQFWSFKMSA-N 1 1 341.415 0.510 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993202530 768454734 /nfs/dbraw/zinc/45/47/34/768454734.db2.gz AMPXCUDTRWGCFU-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993202530 768454741 /nfs/dbraw/zinc/45/47/41/768454741.db2.gz AMPXCUDTRWGCFU-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1nccc(OC)n1 ZINC001106627537 768526860 /nfs/dbraw/zinc/52/68/60/768526860.db2.gz HKYDOLBPHLVGBT-KGLIPLIRSA-N 1 1 331.420 0.890 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1nccc(OC)n1 ZINC001106627537 768526864 /nfs/dbraw/zinc/52/68/64/768526864.db2.gz HKYDOLBPHLVGBT-KGLIPLIRSA-N 1 1 331.420 0.890 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@H]21 ZINC001042053405 782685168 /nfs/dbraw/zinc/68/51/68/782685168.db2.gz ZKNQWJSSEUJDQX-GDBMZVCRSA-N 1 1 331.420 0.484 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@@H]21 ZINC001042053408 782684907 /nfs/dbraw/zinc/68/49/07/782684907.db2.gz ZKNQWJSSEUJDQX-ZBFHGGJFSA-N 1 1 331.420 0.484 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055250373 768708594 /nfs/dbraw/zinc/70/85/94/768708594.db2.gz FVYZSHOYTHILKH-LVQVYYBASA-N 1 1 335.448 0.446 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001055251406 768710416 /nfs/dbraw/zinc/71/04/16/768710416.db2.gz APTSADRMLDHFJS-JONQDZQNSA-N 1 1 333.432 0.036 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001055328820 768785950 /nfs/dbraw/zinc/78/59/50/768785950.db2.gz DIERMQWHJODAEQ-NXOAAHMSSA-N 1 1 331.460 0.760 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]2C1 ZINC001055340845 768798496 /nfs/dbraw/zinc/79/84/96/768798496.db2.gz XPZDKIKJQCQTCG-OAGGEKHMSA-N 1 1 349.475 0.672 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn2c(=O)[nH]nc12 ZINC001018170188 768845508 /nfs/dbraw/zinc/84/55/08/768845508.db2.gz REEIPJLBUFHZBS-BETUJISGSA-N 1 1 325.372 0.747 20 30 ECEDMO C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn2c(=O)[nH]nc12 ZINC001018170188 768845520 /nfs/dbraw/zinc/84/55/20/768845520.db2.gz REEIPJLBUFHZBS-BETUJISGSA-N 1 1 325.372 0.747 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 ZINC001055416120 768876437 /nfs/dbraw/zinc/87/64/37/768876437.db2.gz LCYXDFAXYLJIPL-KFWWJZLASA-N 1 1 337.387 0.779 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(=O)NC)n1 ZINC001018227294 768919717 /nfs/dbraw/zinc/91/97/17/768919717.db2.gz GRTVQLYNGWXKRC-OKILXGFUSA-N 1 1 326.400 0.753 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(=O)NC)n1 ZINC001018227294 768919724 /nfs/dbraw/zinc/91/97/24/768919724.db2.gz GRTVQLYNGWXKRC-OKILXGFUSA-N 1 1 326.400 0.753 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001042066548 782707267 /nfs/dbraw/zinc/70/72/67/782707267.db2.gz HBXIQYAKZARDQU-KGLIPLIRSA-N 1 1 330.436 0.988 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC000993388511 768940736 /nfs/dbraw/zinc/94/07/36/768940736.db2.gz CPGLYQCSTPXMTD-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C ZINC000993414280 768991938 /nfs/dbraw/zinc/99/19/38/768991938.db2.gz NLKCJEXEGWUVNI-GJZGRUSLSA-N 1 1 348.447 0.482 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001055539231 769055340 /nfs/dbraw/zinc/05/53/40/769055340.db2.gz SMMFVHINUHWEGU-INIZCTEOSA-N 1 1 338.496 0.990 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055539486 769056914 /nfs/dbraw/zinc/05/69/14/769056914.db2.gz YMLPBFCEXOGZNF-HNNXBMFYSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055539486 769056922 /nfs/dbraw/zinc/05/69/22/769056922.db2.gz YMLPBFCEXOGZNF-HNNXBMFYSA-N 1 1 336.480 0.601 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCC(Nc3nccnc3C#N)CC2)C1 ZINC001060583427 769065694 /nfs/dbraw/zinc/06/56/94/769065694.db2.gz CTZRASVUCVZGTP-SSDMNJCBSA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CCC(Nc3nccnc3C#N)CC2)C1 ZINC001060583427 769065705 /nfs/dbraw/zinc/06/57/05/769065705.db2.gz CTZRASVUCVZGTP-SSDMNJCBSA-N 1 1 344.419 0.518 20 30 ECEDMO C#CCOCCC(=O)NC1CC[NH+](CCNC(=O)c2cocn2)CC1 ZINC001055542809 769067419 /nfs/dbraw/zinc/06/74/19/769067419.db2.gz KMZCEXHACCIBGM-UHFFFAOYSA-N 1 1 348.403 0.025 20 30 ECEDMO Cc1nc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)co1 ZINC001055564934 769126562 /nfs/dbraw/zinc/12/65/62/769126562.db2.gz RNFKPDBZIJQSRE-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001042078654 782723518 /nfs/dbraw/zinc/72/35/18/782723518.db2.gz XQOXVCLSPVMCOV-UONOGXRCSA-N 1 1 330.436 0.527 20 30 ECEDMO CC(C)C#CC(=O)NCCN1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055572294 769148332 /nfs/dbraw/zinc/14/83/32/769148332.db2.gz BXVHCIFCMNJOHK-KRWDZBQOSA-N 1 1 348.491 0.437 20 30 ECEDMO CC(C)C#CC(=O)NCCN1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055572294 769148338 /nfs/dbraw/zinc/14/83/38/769148338.db2.gz BXVHCIFCMNJOHK-KRWDZBQOSA-N 1 1 348.491 0.437 20 30 ECEDMO Cc1cc(C(=O)NC2CC[NH+](CCNC(=O)C#CC3CC3)CC2)on1 ZINC001055573679 769155830 /nfs/dbraw/zinc/15/58/30/769155830.db2.gz HKFNSCIWWDQBQS-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000993567687 769330089 /nfs/dbraw/zinc/33/00/89/769330089.db2.gz NAWWRMUTCODLQQ-WDEREUQCSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000993567687 769330078 /nfs/dbraw/zinc/33/00/78/769330078.db2.gz NAWWRMUTCODLQQ-WDEREUQCSA-N 1 1 325.390 0.143 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001055645222 769336499 /nfs/dbraw/zinc/33/64/99/769336499.db2.gz ONLIZEBJDUCDJS-HUUCEWRRSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001055645222 769336510 /nfs/dbraw/zinc/33/65/10/769336510.db2.gz ONLIZEBJDUCDJS-HUUCEWRRSA-N 1 1 349.479 0.327 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H]1C ZINC000993593081 769384750 /nfs/dbraw/zinc/38/47/50/769384750.db2.gz XFWDXLPOUHWQFJ-LSDHHAIUSA-N 1 1 346.431 0.496 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)c3cc(C)[nH]n3)C2)CC1 ZINC000993855569 769764825 /nfs/dbraw/zinc/76/48/25/769764825.db2.gz RSVFDOHJDRFWMP-UHFFFAOYSA-N 1 1 329.404 0.004 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001055832598 769896934 /nfs/dbraw/zinc/89/69/34/769896934.db2.gz OXHWINSRUAQXOP-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001042114271 782795200 /nfs/dbraw/zinc/79/52/00/782795200.db2.gz IXGNTVBUXJRBGJ-IRXDYDNUSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CN3CCOCC3)C[C@@H]21 ZINC001042114271 782795206 /nfs/dbraw/zinc/79/52/06/782795206.db2.gz IXGNTVBUXJRBGJ-IRXDYDNUSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CN3CCOCC3)C[C@@H]21 ZINC001042114271 782795210 /nfs/dbraw/zinc/79/52/10/782795210.db2.gz IXGNTVBUXJRBGJ-IRXDYDNUSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H]1C ZINC000994003338 769992140 /nfs/dbraw/zinc/99/21/40/769992140.db2.gz GKBCMLJBRITEJB-JSGCOSHPSA-N 1 1 327.388 0.547 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001055906866 770169725 /nfs/dbraw/zinc/16/97/25/770169725.db2.gz XQXGYIGDPJPMLR-AWEZNQCLSA-N 1 1 328.420 0.870 20 30 ECEDMO N#Cc1cncc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)n1 ZINC001055912478 770189137 /nfs/dbraw/zinc/18/91/37/770189137.db2.gz KSMZFIGCTZABOL-GDBMZVCRSA-N 1 1 340.431 0.871 20 30 ECEDMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1 ZINC001078382914 782817598 /nfs/dbraw/zinc/81/75/98/782817598.db2.gz UIEPZIFXHPRTTJ-ZDUSSCGKSA-N 1 1 343.391 0.036 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H]1C ZINC000994176057 770260286 /nfs/dbraw/zinc/26/02/86/770260286.db2.gz JJZTYLXRYGREFO-GJZGRUSLSA-N 1 1 347.463 0.926 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001055935473 770281730 /nfs/dbraw/zinc/28/17/30/770281730.db2.gz UWUZKQZWCNGLOU-IBGZPJMESA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000994201537 770292662 /nfs/dbraw/zinc/29/26/62/770292662.db2.gz RHVOHOJFTIGWAJ-AWEZNQCLSA-N 1 1 330.432 0.957 20 30 ECEDMO C=C(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055972973 770408388 /nfs/dbraw/zinc/40/83/88/770408388.db2.gz OVSLGQRQHOUFRJ-QAPCUYQASA-N 1 1 337.464 0.764 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001055981021 770434737 /nfs/dbraw/zinc/43/47/37/770434737.db2.gz VKDHAQYIOVJEIA-GOSISDBHSA-N 1 1 337.464 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ncnn2CCC)C1 ZINC001018985859 770483084 /nfs/dbraw/zinc/48/30/84/770483084.db2.gz JIUVOCCFONJKSB-HOTGVXAUSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ncnn2CCC)C1 ZINC001018985859 770483088 /nfs/dbraw/zinc/48/30/88/770483088.db2.gz JIUVOCCFONJKSB-HOTGVXAUSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2nnc(C)o2)C1 ZINC001018986218 770485829 /nfs/dbraw/zinc/48/58/29/770485829.db2.gz WGQIYIDLSSMKEJ-QEJZJMRPSA-N 1 1 331.420 0.727 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2nnc(C)o2)C1 ZINC001018986218 770485831 /nfs/dbraw/zinc/48/58/31/770485831.db2.gz WGQIYIDLSSMKEJ-QEJZJMRPSA-N 1 1 331.420 0.727 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 ZINC001042141563 782842052 /nfs/dbraw/zinc/84/20/52/782842052.db2.gz GTGVKOFBPVUGRO-LSDHHAIUSA-N 1 1 331.416 0.472 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4sccn4c3=O)C[C@H]21 ZINC001042143991 782845216 /nfs/dbraw/zinc/84/52/16/782845216.db2.gz ZVCCPIKOLXSYTQ-TZMCWYRMSA-N 1 1 342.424 0.926 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001056020071 770574607 /nfs/dbraw/zinc/57/46/07/770574607.db2.gz RYSCBIOZCKLHRJ-VQIMIIECSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H]1C ZINC000994295952 770589256 /nfs/dbraw/zinc/58/92/56/770589256.db2.gz OWCMCGQQBREFNV-YPMHNXCESA-N 1 1 325.372 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H]1C ZINC000994295952 770589259 /nfs/dbraw/zinc/58/92/59/770589259.db2.gz OWCMCGQQBREFNV-YPMHNXCESA-N 1 1 325.372 0.946 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001056053292 770687492 /nfs/dbraw/zinc/68/74/92/770687492.db2.gz JOBCATURUCKKMY-UKRRQHHQSA-N 1 1 328.420 0.646 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(c3ccncc3C#N)CC2)O1 ZINC001056072052 770749684 /nfs/dbraw/zinc/74/96/84/770749684.db2.gz LPZYMENDZYYWDW-CZUORRHYSA-N 1 1 329.404 0.321 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(c3ccncc3C#N)CC2)O1 ZINC001056072052 770749685 /nfs/dbraw/zinc/74/96/85/770749685.db2.gz LPZYMENDZYYWDW-CZUORRHYSA-N 1 1 329.404 0.321 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC(C)(C)C1 ZINC001089392029 771027524 /nfs/dbraw/zinc/02/75/24/771027524.db2.gz QZRPFOSEYQZGMN-ZDUSSCGKSA-N 1 1 346.435 0.007 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001056254851 771047135 /nfs/dbraw/zinc/04/71/35/771047135.db2.gz SUPSXLZGMWIZSR-UTXMOHQDSA-N 1 1 340.431 0.549 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)C[C@H]21 ZINC001042177219 782894624 /nfs/dbraw/zinc/89/46/24/782894624.db2.gz VAYXMDXBBVEMOH-QWHCGFSZSA-N 1 1 342.407 0.416 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001056314681 771111202 /nfs/dbraw/zinc/11/12/02/771111202.db2.gz RCVSXZJFZFWCLB-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)CC(C)(C)C1 ZINC001089421550 771114942 /nfs/dbraw/zinc/11/49/42/771114942.db2.gz VQXNNARACYARGQ-AWEZNQCLSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)CC(C)(C)C1 ZINC001089421550 771114946 /nfs/dbraw/zinc/11/49/46/771114946.db2.gz VQXNNARACYARGQ-AWEZNQCLSA-N 1 1 326.462 0.661 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)CC(C)(C)C1 ZINC001089427522 771140846 /nfs/dbraw/zinc/14/08/46/771140846.db2.gz RFKCYXRHFUQMNT-AWEZNQCLSA-N 1 1 335.452 0.765 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)C1 ZINC001019364317 771207415 /nfs/dbraw/zinc/20/74/15/771207415.db2.gz CEEPWBQAKWAKNG-CABCVRRESA-N 1 1 348.447 0.316 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)C1 ZINC001019364317 771207418 /nfs/dbraw/zinc/20/74/18/771207418.db2.gz CEEPWBQAKWAKNG-CABCVRRESA-N 1 1 348.447 0.316 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)CC[N@H+]1C ZINC001019364395 771207456 /nfs/dbraw/zinc/20/74/56/771207456.db2.gz DGDFUMJRYJNBBJ-QLFBSQMISA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)CCNC1=O ZINC001019376967 771222903 /nfs/dbraw/zinc/22/29/03/771222903.db2.gz GUCUNHUAFGFENK-YJBOKZPZSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnc(C)cn3)C2)C1=O ZINC001031525398 771226809 /nfs/dbraw/zinc/22/68/09/771226809.db2.gz HNAIVNISYVBYHE-HNNXBMFYSA-N 1 1 329.404 0.234 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056402887 771229509 /nfs/dbraw/zinc/22/95/09/771229509.db2.gz SVGHIBNTZGMKKH-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CC[N@H+](C)CC ZINC001056403464 771230726 /nfs/dbraw/zinc/23/07/26/771230726.db2.gz YKQIXPWUIICNEZ-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C[N@H+](C)C(C)C ZINC001056405117 771233608 /nfs/dbraw/zinc/23/36/08/771233608.db2.gz IQOCTMHUNUYYHH-SJORKVTESA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001056409609 771240485 /nfs/dbraw/zinc/24/04/85/771240485.db2.gz WTIAQDRPDHUSOD-OWCLPIDISA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001056409608 771240767 /nfs/dbraw/zinc/24/07/67/771240767.db2.gz WTIAQDRPDHUSOD-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001056410191 771241837 /nfs/dbraw/zinc/24/18/37/771241837.db2.gz GNJZSKBRZBFDDQ-ZYIUAKIQSA-N 1 1 340.431 0.549 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001056413489 771245778 /nfs/dbraw/zinc/24/57/78/771245778.db2.gz RWYMZHGCCMTDJU-UTXMOHQDSA-N 1 1 340.431 0.692 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(C)n3C)C2)C1=O ZINC001031547866 771260087 /nfs/dbraw/zinc/26/00/87/771260087.db2.gz OIMCBAHYNVZFOK-INIZCTEOSA-N 1 1 330.432 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(Cl)n3)C[C@H]21 ZINC001056466841 771304356 /nfs/dbraw/zinc/30/43/56/771304356.db2.gz GLPZVFUHAZQUMH-RSUWNVLCSA-N 1 1 345.834 0.778 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(Cl)n3)C[C@H]21 ZINC001056466841 771304359 /nfs/dbraw/zinc/30/43/59/771304359.db2.gz GLPZVFUHAZQUMH-RSUWNVLCSA-N 1 1 345.834 0.778 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001056489434 771329089 /nfs/dbraw/zinc/32/90/89/771329089.db2.gz QYQIYBXLOUPJAU-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001056558592 771379945 /nfs/dbraw/zinc/37/99/45/771379945.db2.gz CEXBZFHLCDRDSG-IXDOHACOSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC(C)(C)C1 ZINC001089513358 771380305 /nfs/dbraw/zinc/38/03/05/771380305.db2.gz CECNZDHOGFKNML-UONOGXRCSA-N 1 1 343.493 0.813 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001031604987 771407232 /nfs/dbraw/zinc/40/72/32/771407232.db2.gz WZRLKOQILPJXER-HNNXBMFYSA-N 1 1 327.388 0.335 20 30 ECEDMO C=CCCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001056621389 771440892 /nfs/dbraw/zinc/44/08/92/771440892.db2.gz YIUCJWMAEQVWQB-XHSDSOJGSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001056621389 771440895 /nfs/dbraw/zinc/44/08/95/771440895.db2.gz YIUCJWMAEQVWQB-XHSDSOJGSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001056630758 771449561 /nfs/dbraw/zinc/44/95/61/771449561.db2.gz QRZQXTNYAPHHAY-JKSUJKDBSA-N 1 1 337.464 0.979 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001056648121 771466712 /nfs/dbraw/zinc/46/67/12/771466712.db2.gz HMTDYHTWVNSMSX-HIFRSBDPSA-N 1 1 347.394 0.826 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001056648121 771466716 /nfs/dbraw/zinc/46/67/16/771466716.db2.gz HMTDYHTWVNSMSX-HIFRSBDPSA-N 1 1 347.394 0.826 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001056648460 771468146 /nfs/dbraw/zinc/46/81/46/771468146.db2.gz XCJMDUMBXZIZOK-ZIAGYGMSSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001056648460 771468150 /nfs/dbraw/zinc/46/81/50/771468150.db2.gz XCJMDUMBXZIZOK-ZIAGYGMSSA-N 1 1 330.392 0.082 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001056689449 771517392 /nfs/dbraw/zinc/51/73/92/771517392.db2.gz UBVRSYCQRCRVSH-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c(C)ccn3C)C2)C1=O ZINC001031633658 771545424 /nfs/dbraw/zinc/54/54/24/771545424.db2.gz YLCMTQNSTLHNHU-OAHLLOKOSA-N 1 1 330.432 0.782 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)no1 ZINC001056727172 771562368 /nfs/dbraw/zinc/56/23/68/771562368.db2.gz MOTWGEPNMRVVML-LLVKDONJSA-N 1 1 341.375 0.724 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001019628759 771629197 /nfs/dbraw/zinc/62/91/97/771629197.db2.gz QBOAOBCNJKXLLD-ZDUSSCGKSA-N 1 1 342.403 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(CC)n3C)C2)cn1 ZINC001019673674 771702712 /nfs/dbraw/zinc/70/27/12/771702712.db2.gz FIKPTYXLKQJNDM-HNNXBMFYSA-N 1 1 338.415 0.758 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnnn3C)C2)nc1 ZINC001019676883 771704790 /nfs/dbraw/zinc/70/47/90/771704790.db2.gz IODGJCGAVGIXFG-YPMHNXCESA-N 1 1 325.376 0.152 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCO[C@H](C[NH2+][C@H](C)c2nnnn2C)C1 ZINC001078440512 782956216 /nfs/dbraw/zinc/95/62/16/782956216.db2.gz ASKDBOZVSXENAS-CHWSQXEVSA-N 1 1 336.440 0.690 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 ZINC001056927025 771816404 /nfs/dbraw/zinc/81/64/04/771816404.db2.gz VNOZQHVLZSXLDG-CYBMUJFWSA-N 1 1 325.376 0.591 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 ZINC001056926980 771816506 /nfs/dbraw/zinc/81/65/06/771816506.db2.gz UPRRPKHRPHIMKC-ZDUSSCGKSA-N 1 1 325.376 0.591 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3ncccc3C#N)C2)C1 ZINC001056928637 771819841 /nfs/dbraw/zinc/81/98/41/771819841.db2.gz MUAIBKMYJDYTDN-JKSUJKDBSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3ncccc3C#N)C2)C1 ZINC001056928637 771819845 /nfs/dbraw/zinc/81/98/45/771819845.db2.gz MUAIBKMYJDYTDN-JKSUJKDBSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3ccn(C)n3)C2)CC1 ZINC001019813552 771828529 /nfs/dbraw/zinc/82/85/29/771828529.db2.gz FZUKVXWORKFJIV-KRWDZBQOSA-N 1 1 329.448 0.456 20 30 ECEDMO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001056942321 771840606 /nfs/dbraw/zinc/84/06/06/771840606.db2.gz VZQOTIPDJBVHBF-HIFRSBDPSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC(C)(C)C ZINC001056985780 771909811 /nfs/dbraw/zinc/90/98/11/771909811.db2.gz ZIOKOYRXKPNHNF-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC(C)(C)C ZINC001056985780 771909816 /nfs/dbraw/zinc/90/98/16/771909816.db2.gz ZIOKOYRXKPNHNF-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001057053010 772002005 /nfs/dbraw/zinc/00/20/05/772002005.db2.gz UUVFQXQHSRITML-VHDGCEQUSA-N 1 1 328.420 0.726 20 30 ECEDMO CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001057058846 772011162 /nfs/dbraw/zinc/01/11/62/772011162.db2.gz BTQKTACVNVPZDY-CQSZACIVSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2ccc(C)nn2)C1 ZINC001057060762 772014959 /nfs/dbraw/zinc/01/49/59/772014959.db2.gz QHJGQIDVBLGCHD-CVEARBPZSA-N 1 1 327.432 0.920 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2ccc(C)nn2)C1 ZINC001057060762 772014962 /nfs/dbraw/zinc/01/49/62/772014962.db2.gz QHJGQIDVBLGCHD-CVEARBPZSA-N 1 1 327.432 0.920 20 30 ECEDMO Cc1nsc(N2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1C#N ZINC001057115447 772108516 /nfs/dbraw/zinc/10/85/16/772108516.db2.gz UYCSNCFDQBAMDC-AWEZNQCLSA-N 1 1 349.460 0.693 20 30 ECEDMO Cc1nsc(N2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1C#N ZINC001057115447 772108518 /nfs/dbraw/zinc/10/85/18/772108518.db2.gz UYCSNCFDQBAMDC-AWEZNQCLSA-N 1 1 349.460 0.693 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001020066680 772120725 /nfs/dbraw/zinc/12/07/25/772120725.db2.gz QQRBZWWMWWCGLV-YDHLFZDLSA-N 1 1 331.420 0.284 20 30 ECEDMO N#Cc1nccnc1N1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001057156137 772184461 /nfs/dbraw/zinc/18/44/61/772184461.db2.gz OFZRPZSNYJQJDS-UHFFFAOYSA-N 1 1 344.419 0.109 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001057172517 772212589 /nfs/dbraw/zinc/21/25/89/772212589.db2.gz HNRIUEXVGZNAHG-UHFFFAOYSA-N 1 1 336.436 0.910 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001078465324 782996402 /nfs/dbraw/zinc/99/64/02/782996402.db2.gz VZNYLVYBNUMYLP-ZDUSSCGKSA-N 1 1 349.435 0.172 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001057210269 772281968 /nfs/dbraw/zinc/28/19/68/772281968.db2.gz CJWUMTHILVQLKV-GJZGRUSLSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001042263710 783001542 /nfs/dbraw/zinc/00/15/42/783001542.db2.gz XAOLLOYOUWWYOV-GJZGRUSLSA-N 1 1 330.436 0.743 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001042263711 783001943 /nfs/dbraw/zinc/00/19/43/783001943.db2.gz XAOLLOYOUWWYOV-HUUCEWRRSA-N 1 1 330.436 0.743 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057234459 772318588 /nfs/dbraw/zinc/31/85/88/772318588.db2.gz CXKAHPMABYQXMX-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057234698 772319090 /nfs/dbraw/zinc/31/90/90/772319090.db2.gz LZLUHTCEOXTSLZ-ZFWWWQNUSA-N 1 1 328.420 0.585 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001020271429 772379723 /nfs/dbraw/zinc/37/97/23/772379723.db2.gz SMZIMAUIDAADPA-SCRDCRAPSA-N 1 1 329.404 0.557 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)nc1 ZINC001020272391 772382462 /nfs/dbraw/zinc/38/24/62/772382462.db2.gz JXOGTRFZFKXTEH-IMJJTQAJSA-N 1 1 340.427 0.734 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 ZINC001057334860 772479944 /nfs/dbraw/zinc/47/99/44/772479944.db2.gz HCRLCAVQAODJJG-UHFFFAOYSA-N 1 1 325.376 0.956 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001057525445 772718471 /nfs/dbraw/zinc/71/84/71/772718471.db2.gz TZZMEYWFQOUZSH-DLBZAZTESA-N 1 1 349.475 0.600 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057587297 772782773 /nfs/dbraw/zinc/78/27/73/772782773.db2.gz CFGMPIPAJCNOAC-INIZCTEOSA-N 1 1 335.448 0.210 20 30 ECEDMO Cc1cc(N[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001057603012 772801912 /nfs/dbraw/zinc/80/19/12/772801912.db2.gz ZZHCVEXDBPUSPS-NVXWUHKLSA-N 1 1 343.431 0.417 20 30 ECEDMO Cc1cc(N[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001057603012 772801918 /nfs/dbraw/zinc/80/19/18/772801918.db2.gz ZZHCVEXDBPUSPS-NVXWUHKLSA-N 1 1 343.431 0.417 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC(C)(C)C=C ZINC001057697182 772922003 /nfs/dbraw/zinc/92/20/03/772922003.db2.gz MAUPICSJYMGLPT-INIZCTEOSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC(C)(C)C=C ZINC001057697182 772922005 /nfs/dbraw/zinc/92/20/05/772922005.db2.gz MAUPICSJYMGLPT-INIZCTEOSA-N 1 1 349.475 0.623 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(c2nccnc2C#N)CC1 ZINC001057785553 772981151 /nfs/dbraw/zinc/98/11/51/772981151.db2.gz HURHXNXHSLXEAS-OAHLLOKOSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057785788 772981202 /nfs/dbraw/zinc/98/12/02/772981202.db2.gz QEPNZQPPRALMHR-HNNXBMFYSA-N 1 1 328.420 0.775 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057854447 773074981 /nfs/dbraw/zinc/07/49/81/773074981.db2.gz ILDGKRRUMSBQAU-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001057864338 773092143 /nfs/dbraw/zinc/09/21/43/773092143.db2.gz NOFDNNSAHPTSLO-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057864396 773092547 /nfs/dbraw/zinc/09/25/47/773092547.db2.gz QIEBDFRDXCBRGO-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)C1 ZINC001057873536 773106830 /nfs/dbraw/zinc/10/68/30/773106830.db2.gz CVUQVOWYCZNJKQ-LSDHHAIUSA-N 1 1 338.452 0.061 20 30 ECEDMO CCc1nc(C#N)cc(N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001057874659 773109188 /nfs/dbraw/zinc/10/91/88/773109188.db2.gz WZCSUNFOYGDDEZ-CYBMUJFWSA-N 1 1 342.447 0.947 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001057877013 773116649 /nfs/dbraw/zinc/11/66/49/773116649.db2.gz WQCYCBGOHPKTCI-OAHLLOKOSA-N 1 1 346.431 0.501 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001057903463 773163821 /nfs/dbraw/zinc/16/38/21/773163821.db2.gz KUXORPDJAUKXOS-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057945585 773245479 /nfs/dbraw/zinc/24/54/79/773245479.db2.gz AFPRKQKVPWDPAW-CYBMUJFWSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(c2cncc(C#N)n2)CC1 ZINC001057945742 773245598 /nfs/dbraw/zinc/24/55/98/773245598.db2.gz FPPPLPXROFPMBF-SWLSCSKDSA-N 1 1 328.420 0.631 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001057946214 773247090 /nfs/dbraw/zinc/24/70/90/773247090.db2.gz VMCJOZDNUHXRMW-WBMJQRKESA-N 1 1 342.447 0.939 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(CCC)CC1 ZINC001057962333 773294652 /nfs/dbraw/zinc/29/46/52/773294652.db2.gz RMOMQFLDZKLKJA-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(CCC)CC1 ZINC001057962333 773294655 /nfs/dbraw/zinc/29/46/55/773294655.db2.gz RMOMQFLDZKLKJA-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2nccnc2F)CC1 ZINC001057970483 773309655 /nfs/dbraw/zinc/30/96/55/773309655.db2.gz VYSQTKHFIAKJTJ-AWEZNQCLSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2nccnc2F)CC1 ZINC001057970483 773309663 /nfs/dbraw/zinc/30/96/63/773309663.db2.gz VYSQTKHFIAKJTJ-AWEZNQCLSA-N 1 1 331.395 0.798 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001057973884 773317816 /nfs/dbraw/zinc/31/78/16/773317816.db2.gz CUGAIPXVHLZEGS-IRXDYDNUSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057974387 773320741 /nfs/dbraw/zinc/32/07/41/773320741.db2.gz VLGVALFRCKQRTM-CVEARBPZSA-N 1 1 337.464 0.907 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058056474 773446436 /nfs/dbraw/zinc/44/64/36/773446436.db2.gz XVHIRRZJMNQHCI-ZDUSSCGKSA-N 1 1 328.420 0.727 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C)C1 ZINC001058157845 773658830 /nfs/dbraw/zinc/65/88/30/773658830.db2.gz JBIDGQWKDQABET-HNNXBMFYSA-N 1 1 337.464 0.315 20 30 ECEDMO Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001058317056 773962021 /nfs/dbraw/zinc/96/20/21/773962021.db2.gz NTGQCYQPSXHRPS-AAEUAGOBSA-N 1 1 335.433 0.349 20 30 ECEDMO Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001058317056 773962023 /nfs/dbraw/zinc/96/20/23/773962023.db2.gz NTGQCYQPSXHRPS-AAEUAGOBSA-N 1 1 335.433 0.349 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001040636571 783149321 /nfs/dbraw/zinc/14/93/21/783149321.db2.gz KYNQSPIPFAFVED-JJRVBVJISA-N 1 1 325.416 0.942 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058442665 774189738 /nfs/dbraw/zinc/18/97/38/774189738.db2.gz MMQUTJUVMZIKBB-MRXNPFEDSA-N 1 1 337.464 0.459 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001058442606 774189784 /nfs/dbraw/zinc/18/97/84/774189784.db2.gz KMPIYTOYKTXYHX-UHFFFAOYSA-N 1 1 334.420 0.322 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058447272 774200663 /nfs/dbraw/zinc/20/06/63/774200663.db2.gz UMHCHBULLUUNQH-LSDHHAIUSA-N 1 1 328.420 0.916 20 30 ECEDMO N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001058469853 774245884 /nfs/dbraw/zinc/24/58/84/774245884.db2.gz SFVJLBPWCKZYKI-OCCSQVGLSA-N 1 1 337.387 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@@H](C=C)CC ZINC001058472050 774250082 /nfs/dbraw/zinc/25/00/82/774250082.db2.gz HYRIHDIYEOEGJY-IRXDYDNUSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@@H](C=C)CC ZINC001058472050 774250085 /nfs/dbraw/zinc/25/00/85/774250085.db2.gz HYRIHDIYEOEGJY-IRXDYDNUSA-N 1 1 349.475 0.623 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)C1 ZINC001058480233 774269314 /nfs/dbraw/zinc/26/93/14/774269314.db2.gz FKDYJFQWZISQFL-HUUCEWRRSA-N 1 1 338.452 0.205 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001058497143 774308121 /nfs/dbraw/zinc/30/81/21/774308121.db2.gz JEJUJASYIMDEGL-HOTGVXAUSA-N 1 1 337.464 0.313 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001039830975 783169939 /nfs/dbraw/zinc/16/99/39/783169939.db2.gz MVQFRUMUIOQBLT-KBXCAEBGSA-N 1 1 346.431 0.471 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)C1 ZINC001058521556 774354321 /nfs/dbraw/zinc/35/43/21/774354321.db2.gz OPEZPQPWDLMUQF-HIFRSBDPSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)C1 ZINC001058521556 774354329 /nfs/dbraw/zinc/35/43/29/774354329.db2.gz OPEZPQPWDLMUQF-HIFRSBDPSA-N 1 1 344.419 0.152 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001058546706 774408522 /nfs/dbraw/zinc/40/85/22/774408522.db2.gz LDDOPGIKUASGLP-TZMCWYRMSA-N 1 1 328.420 0.693 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058582682 774475671 /nfs/dbraw/zinc/47/56/71/774475671.db2.gz PISIKHURXRAOAX-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncncc2Cl)C1 ZINC001058590212 774491993 /nfs/dbraw/zinc/49/19/93/774491993.db2.gz WYWWDJJJQSAZEC-OCCSQVGLSA-N 1 1 333.823 0.923 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncncc2Cl)C1 ZINC001058590212 774491999 /nfs/dbraw/zinc/49/19/99/774491999.db2.gz WYWWDJJJQSAZEC-OCCSQVGLSA-N 1 1 333.823 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C2CC2)C1 ZINC001045081966 774949772 /nfs/dbraw/zinc/94/97/72/774949772.db2.gz BFULELDUIGPTNU-HNNXBMFYSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C2CC2)C1 ZINC001045081966 774949778 /nfs/dbraw/zinc/94/97/78/774949778.db2.gz BFULELDUIGPTNU-HNNXBMFYSA-N 1 1 347.459 0.210 20 30 ECEDMO CCc1nc(N2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cc(C)[nH+]1 ZINC001043886266 775212584 /nfs/dbraw/zinc/21/25/84/775212584.db2.gz GYJFHLMJLHGMMV-KGLIPLIRSA-N 1 1 340.387 0.527 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1 ZINC001045384194 775513038 /nfs/dbraw/zinc/51/30/38/775513038.db2.gz YRFCRDFXKHMPES-MGPQQGTHSA-N 1 1 328.420 0.704 20 30 ECEDMO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001044036834 775560231 /nfs/dbraw/zinc/56/02/31/775560231.db2.gz ZKHDDXVUQOJPCD-FUHWJXTLSA-N 1 1 340.427 0.767 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001045454925 775631308 /nfs/dbraw/zinc/63/13/08/775631308.db2.gz HEKNCTIPGIXWGI-HZPDHXFCSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](CC(=O)NC2CC2)CC1 ZINC001045560015 775801629 /nfs/dbraw/zinc/80/16/29/775801629.db2.gz MYXXFHMAPIMHPA-CABCVRRESA-N 1 1 335.448 0.827 20 30 ECEDMO CC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)C3=NC(=O)N(C)C3)C2)CC1 ZINC001045677800 776024623 /nfs/dbraw/zinc/02/46/23/776024623.db2.gz BBCAMQWYBCYOLO-CQSZACIVSA-N 1 1 346.431 0.750 20 30 ECEDMO C=CC[NH+]1CCC2(CO[C@H](CNC(=O)C3=NC(=O)N(C)C3)C2)CC1 ZINC001045679617 776028960 /nfs/dbraw/zinc/02/89/60/776028960.db2.gz LWGWPRGUILXNGS-ZDUSSCGKSA-N 1 1 334.420 0.913 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001070038022 790413730 /nfs/dbraw/zinc/41/37/30/790413730.db2.gz FZNTUPDLDKRIHF-CABCVRRESA-N 1 1 329.408 0.552 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001070038022 790413746 /nfs/dbraw/zinc/41/37/46/790413746.db2.gz FZNTUPDLDKRIHF-CABCVRRESA-N 1 1 329.408 0.552 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044303049 776101676 /nfs/dbraw/zinc/10/16/76/776101676.db2.gz RXYAKWCDNVOQSS-ZIAGYGMSSA-N 1 1 325.453 0.476 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044302980 776101855 /nfs/dbraw/zinc/10/18/55/776101855.db2.gz QCHALLHINFOESW-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001044538899 776410002 /nfs/dbraw/zinc/41/00/02/776410002.db2.gz SSMBQCTYUIFYFH-CFVMTHIKSA-N 1 1 329.404 0.103 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079648061 776607131 /nfs/dbraw/zinc/60/71/31/776607131.db2.gz CORVEZWIYRLVPC-KMUNFCNLSA-N 1 1 346.362 0.742 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079648061 776607137 /nfs/dbraw/zinc/60/71/37/776607137.db2.gz CORVEZWIYRLVPC-KMUNFCNLSA-N 1 1 346.362 0.742 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001079685392 776682167 /nfs/dbraw/zinc/68/21/67/776682167.db2.gz FVOQWUKFOKNMTC-NVXWUHKLSA-N 1 1 347.459 0.712 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001079690292 776694204 /nfs/dbraw/zinc/69/42/04/776694204.db2.gz UJEITPMHKJXMCD-KDOFPFPSSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCn1cc(C(=O)N(CC)C2CN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001079800819 776898037 /nfs/dbraw/zinc/89/80/37/776898037.db2.gz BFDHWMRDZGFZCC-UHFFFAOYSA-N 1 1 348.451 0.479 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070065642 790490119 /nfs/dbraw/zinc/49/01/19/790490119.db2.gz BNVFBJKZWXOEGK-HLLBOEOZSA-N 1 1 331.420 0.460 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001079833366 776953942 /nfs/dbraw/zinc/95/39/42/776953942.db2.gz KDZSHGAZHKZKSW-DGCLKSJQSA-N 1 1 327.388 0.747 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070071580 790507733 /nfs/dbraw/zinc/50/77/33/790507733.db2.gz BAWLLWHOFXBVDQ-HLLBOEOZSA-N 1 1 346.435 0.064 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070071580 790507741 /nfs/dbraw/zinc/50/77/41/790507741.db2.gz BAWLLWHOFXBVDQ-HLLBOEOZSA-N 1 1 346.435 0.064 20 30 ECEDMO CCN(C(=O)C[N@@H+](C)C(C)C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001079929433 777099661 /nfs/dbraw/zinc/09/96/61/777099661.db2.gz DISOGOXIGBKZRU-UHFFFAOYSA-N 1 1 331.420 0.899 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001079982112 777189092 /nfs/dbraw/zinc/18/90/92/777189092.db2.gz OCIQFVUZFQVWGT-ZYHUDNBSSA-N 1 1 327.406 0.553 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001080017223 777237721 /nfs/dbraw/zinc/23/77/21/777237721.db2.gz BPRNFFIXLPDVFY-CHWSQXEVSA-N 1 1 330.392 0.946 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001080017911 777238601 /nfs/dbraw/zinc/23/86/01/777238601.db2.gz ZDJWITPLBKKIKS-CHWSQXEVSA-N 1 1 330.392 0.946 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001080036355 777280863 /nfs/dbraw/zinc/28/08/63/777280863.db2.gz SKTFHTOXGPHOPK-VXGBXAGGSA-N 1 1 330.417 0.797 20 30 ECEDMO CC#CCCCC(=O)N1CC(N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001080096407 777382905 /nfs/dbraw/zinc/38/29/05/777382905.db2.gz HGVSOCDGLBUDBC-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001080190642 777524693 /nfs/dbraw/zinc/52/46/93/777524693.db2.gz ZKXDHRGHQQDYBG-UHFFFAOYSA-N 1 1 337.464 0.818 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068551870 790546714 /nfs/dbraw/zinc/54/67/14/790546714.db2.gz GLRXMCCAOVGEOS-JOCQHMNTSA-N 1 1 325.376 0.282 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080265314 777629443 /nfs/dbraw/zinc/62/94/43/777629443.db2.gz ZPHNDDDTXUYHJJ-HONMWMINSA-N 1 1 347.444 0.580 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080265314 777629448 /nfs/dbraw/zinc/62/94/48/777629448.db2.gz ZPHNDDDTXUYHJJ-HONMWMINSA-N 1 1 347.444 0.580 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2F)[C@@H](n2ccnn2)C1 ZINC001070086988 790557780 /nfs/dbraw/zinc/55/77/80/790557780.db2.gz YQWZHMVUNZHWAB-OLZOCXBDSA-N 1 1 345.382 0.138 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2F)[C@@H](n2ccnn2)C1 ZINC001070086988 790557790 /nfs/dbraw/zinc/55/77/90/790557790.db2.gz YQWZHMVUNZHWAB-OLZOCXBDSA-N 1 1 345.382 0.138 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1Nc1ncccc1C#N ZINC001043105185 777735310 /nfs/dbraw/zinc/73/53/10/777735310.db2.gz YKSRFLSDZODTRB-YUELXQCFSA-N 1 1 329.404 0.543 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1Nc1ncccc1C#N ZINC001043105185 777735315 /nfs/dbraw/zinc/73/53/15/777735315.db2.gz YKSRFLSDZODTRB-YUELXQCFSA-N 1 1 329.404 0.543 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]2C)C1 ZINC001080404468 777803024 /nfs/dbraw/zinc/80/30/24/777803024.db2.gz JHEPJBHPLCUIQV-ZIAGYGMSSA-N 1 1 348.447 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@@H](C)COC)C1 ZINC001080428770 777842687 /nfs/dbraw/zinc/84/26/87/777842687.db2.gz JTIQHQLMGQEOKV-WBVHZDCISA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@@H](C)COC)C1 ZINC001080428770 777842690 /nfs/dbraw/zinc/84/26/90/777842690.db2.gz JTIQHQLMGQEOKV-WBVHZDCISA-N 1 1 349.475 0.816 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1C ZINC001080472418 777905737 /nfs/dbraw/zinc/90/57/37/777905737.db2.gz UMFHZCIJFNEVTO-YYQUZTFQSA-N 1 1 347.463 0.923 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cn2c(C)csc2=O)[C@@H](n2ccnn2)C1 ZINC001070092811 790576057 /nfs/dbraw/zinc/57/60/57/790576057.db2.gz VDGAXZZMMWBKGX-OLZOCXBDSA-N 1 1 348.432 0.037 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2c(C)csc2=O)[C@@H](n2ccnn2)C1 ZINC001070092811 790576064 /nfs/dbraw/zinc/57/60/64/790576064.db2.gz VDGAXZZMMWBKGX-OLZOCXBDSA-N 1 1 348.432 0.037 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043264074 778065952 /nfs/dbraw/zinc/06/59/52/778065952.db2.gz NWWHFIAARIXUDI-RRFJBIMHSA-N 1 1 337.464 0.618 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CCC1 ZINC001043266786 778070811 /nfs/dbraw/zinc/07/08/11/778070811.db2.gz MHQLBDHJLJYCHG-HUUCEWRRSA-N 1 1 349.475 0.763 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001043314372 778145341 /nfs/dbraw/zinc/14/53/41/778145341.db2.gz DYYNJBQKJYWFFG-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001043429883 778314958 /nfs/dbraw/zinc/31/49/58/778314958.db2.gz HEPMVWKAFSRWDN-AWEZNQCLSA-N 1 1 325.453 0.618 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043585377 778547478 /nfs/dbraw/zinc/54/74/78/778547478.db2.gz RTLVZWKMWWBDCN-TZMCWYRMSA-N 1 1 328.420 0.513 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)C#CC(C)(C)C)CCOCC1 ZINC001070111883 790641826 /nfs/dbraw/zinc/64/18/26/790641826.db2.gz DJBHYHZRLILHJA-OAHLLOKOSA-N 1 1 349.475 0.912 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043679762 778711420 /nfs/dbraw/zinc/71/14/20/778711420.db2.gz MTJCBTRLWGKMFG-CVEARBPZSA-N 1 1 347.459 0.352 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001068591326 790654595 /nfs/dbraw/zinc/65/45/95/790654595.db2.gz LXQOJKWFXFUGHJ-IHRRRGAJSA-N 1 1 328.420 0.419 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070122236 790682816 /nfs/dbraw/zinc/68/28/16/790682816.db2.gz QSZVJHWARIXUDV-OAHLLOKOSA-N 1 1 335.448 0.379 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccon3)C2)nn1 ZINC001078483397 779959891 /nfs/dbraw/zinc/95/98/91/779959891.db2.gz VFNCNOUCSJTCLR-AWEZNQCLSA-N 1 1 346.391 0.473 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]21 ZINC001042283313 779982148 /nfs/dbraw/zinc/98/21/48/779982148.db2.gz JMURNYPLCXFTCD-DZGCQCFKSA-N 1 1 344.415 0.685 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]21 ZINC001042285239 779987331 /nfs/dbraw/zinc/98/73/31/779987331.db2.gz MMDDRYZKYVTUNH-GXTWGEPZSA-N 1 1 332.404 0.848 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC001042301784 780022905 /nfs/dbraw/zinc/02/29/05/780022905.db2.gz NPZOUAONAGMGJP-KBPBESRZSA-N 1 1 346.431 0.263 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)C[C@H]21 ZINC001042308682 780044213 /nfs/dbraw/zinc/04/42/13/780044213.db2.gz YBVABHWDQCPPBT-RHSMWYFYSA-N 1 1 343.431 0.799 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@@H]21 ZINC001042310538 780046860 /nfs/dbraw/zinc/04/68/60/780046860.db2.gz UGBSIEVCOIZKKD-BBRMVZONSA-N 1 1 338.415 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@H]21 ZINC001042315916 780061212 /nfs/dbraw/zinc/06/12/12/780061212.db2.gz FDIQMQJJROKETO-HZPDHXFCSA-N 1 1 328.416 0.498 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@@H]21 ZINC001042345756 780109058 /nfs/dbraw/zinc/10/90/58/780109058.db2.gz NFETYKSCMZQETG-HOCLYGCPSA-N 1 1 332.448 0.723 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C ZINC001042358644 780140443 /nfs/dbraw/zinc/14/04/43/780140443.db2.gz MDHKFTGFBSVVIM-BXUZGUMPSA-N 1 1 325.376 0.494 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]21 ZINC001042362678 780147991 /nfs/dbraw/zinc/14/79/91/780147991.db2.gz LGXGPEKUVSOLRI-CJNGLKHVSA-N 1 1 326.400 0.740 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]21 ZINC001042376179 780165824 /nfs/dbraw/zinc/16/58/24/780165824.db2.gz OURGLNBTZXULEM-BBRMVZONSA-N 1 1 326.400 0.740 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001042502621 780359259 /nfs/dbraw/zinc/35/92/59/780359259.db2.gz PEWHVMVQNWLQOA-GZBFAFLISA-N 1 1 328.420 0.631 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CC#Cc2ccccc2)C1 ZINC001042573959 780467811 /nfs/dbraw/zinc/46/78/11/780467811.db2.gz ZNKLVYHKHSAZRM-SFHVURJKSA-N 1 1 327.428 0.511 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CC#Cc2ccccc2)C1 ZINC001042573959 780467815 /nfs/dbraw/zinc/46/78/15/780467815.db2.gz ZNKLVYHKHSAZRM-SFHVURJKSA-N 1 1 327.428 0.511 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001042715089 780682388 /nfs/dbraw/zinc/68/23/88/780682388.db2.gz MRERZJLRNLXQBY-SJORKVTESA-N 1 1 348.491 0.789 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21 ZINC001079260842 780932265 /nfs/dbraw/zinc/93/22/65/780932265.db2.gz SAAKAUMIJYPMGW-YESZJQIVSA-N 1 1 346.475 0.934 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079341427 781004021 /nfs/dbraw/zinc/00/40/21/781004021.db2.gz CCTXMPZNDVOXEJ-ZDUSSCGKSA-N 1 1 338.477 0.644 20 30 ECEDMO O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001042964620 781109380 /nfs/dbraw/zinc/10/93/80/781109380.db2.gz LJMQRZXGQSHSLL-HZPDHXFCSA-N 1 1 345.443 0.106 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001079440857 781122100 /nfs/dbraw/zinc/12/21/00/781122100.db2.gz WONMPILXSSZFDJ-KBRIMQKVSA-N 1 1 329.400 0.910 20 30 ECEDMO CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042977182 781127506 /nfs/dbraw/zinc/12/75/06/781127506.db2.gz GVYHWDJHZJOUSE-BFHYXJOUSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526542 781223092 /nfs/dbraw/zinc/22/30/92/781223092.db2.gz OGYBWONBMHNUES-WQVCFCJDSA-N 1 1 348.472 0.887 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526542 781223098 /nfs/dbraw/zinc/22/30/98/781223098.db2.gz OGYBWONBMHNUES-WQVCFCJDSA-N 1 1 348.472 0.887 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@@H]2CCOC2)C1 ZINC001079538831 781239196 /nfs/dbraw/zinc/23/91/96/781239196.db2.gz OSMRBXVUXNDSLM-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@@H]2CCOC2)C1 ZINC001079538831 781239201 /nfs/dbraw/zinc/23/92/01/781239201.db2.gz OSMRBXVUXNDSLM-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(C)c3)C2)C1=O ZINC001079569800 781271243 /nfs/dbraw/zinc/27/12/43/781271243.db2.gz CBTZVEILABLPBF-FVQBIDKESA-N 1 1 330.432 0.862 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(C)c3)C2)C1=O ZINC001079569800 781271244 /nfs/dbraw/zinc/27/12/44/781271244.db2.gz CBTZVEILABLPBF-FVQBIDKESA-N 1 1 330.432 0.862 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)C1 ZINC001077645453 781417217 /nfs/dbraw/zinc/41/72/17/781417217.db2.gz HIKDAWZWEVGVPK-JHJVBQTASA-N 1 1 330.375 0.928 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)C1 ZINC001077645453 781417223 /nfs/dbraw/zinc/41/72/23/781417223.db2.gz HIKDAWZWEVGVPK-JHJVBQTASA-N 1 1 330.375 0.928 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001077658643 781444836 /nfs/dbraw/zinc/44/48/36/781444836.db2.gz HGJUGLIEAIEVFV-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)C1 ZINC001041406040 781445466 /nfs/dbraw/zinc/44/54/66/781445466.db2.gz ICVPTOKICSSENH-IPYPFGDCSA-N 1 1 346.349 0.890 20 30 ECEDMO Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)ccc1C#N ZINC001041429535 781490083 /nfs/dbraw/zinc/49/00/83/781490083.db2.gz JNJWLGXKJILAJU-BZUAXINKSA-N 1 1 343.431 0.412 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001077679423 781493797 /nfs/dbraw/zinc/49/37/97/781493797.db2.gz QWTHQLGWKJTMLM-HUUCEWRRSA-N 1 1 331.420 0.428 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001077679423 781493803 /nfs/dbraw/zinc/49/38/03/781493803.db2.gz QWTHQLGWKJTMLM-HUUCEWRRSA-N 1 1 331.420 0.428 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nc(C)nn4C3)C2)C1 ZINC001041503074 781645322 /nfs/dbraw/zinc/64/53/22/781645322.db2.gz LDGAUTUJDVVTER-YJBOKZPZSA-N 1 1 327.432 0.707 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001041504908 781651210 /nfs/dbraw/zinc/65/12/10/781651210.db2.gz HJFSOKFHUALRDC-PBHICJAKSA-N 1 1 343.431 0.934 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(CCN(C(=O)c4cnco4)C3)C2)C1=O ZINC001041514401 781675802 /nfs/dbraw/zinc/67/58/02/781675802.db2.gz HJFOCGOVWZSZCN-KSSFIOAISA-N 1 1 344.415 1.000 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+](CC(=O)NC)C3)C2)cc1 ZINC001041533021 781715168 /nfs/dbraw/zinc/71/51/68/781715168.db2.gz XLXJIWJACRVJRY-IBGZPJMESA-N 1 1 325.412 0.952 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C2CCOCC2)C1 ZINC001077814129 781747360 /nfs/dbraw/zinc/74/73/60/781747360.db2.gz VEMKFMRTFYEZHI-NVXWUHKLSA-N 1 1 348.447 0.976 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001077835806 781795978 /nfs/dbraw/zinc/79/59/78/781795978.db2.gz FWFQYEGVKSGPDK-ZIAGYGMSSA-N 1 1 329.404 0.926 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001077876808 781855967 /nfs/dbraw/zinc/85/59/67/781855967.db2.gz KSYVQDCJIFJFPJ-ARFHVFGLSA-N 1 1 327.384 0.046 20 30 ECEDMO C=CCCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040807964 783478071 /nfs/dbraw/zinc/47/80/71/783478071.db2.gz YVENDIYDMQVNQC-DNVCBOLYSA-N 1 1 349.475 0.907 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070192946 783626509 /nfs/dbraw/zinc/62/65/09/783626509.db2.gz XSZIFHZVPVCCOO-SJORKVTESA-N 1 1 336.399 0.628 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001070254754 783752319 /nfs/dbraw/zinc/75/23/19/783752319.db2.gz WIJPIAIJULCBEU-KGLIPLIRSA-N 1 1 336.436 0.269 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@@H]1n1ccnn1 ZINC001070332572 783840082 /nfs/dbraw/zinc/84/00/82/783840082.db2.gz LIVBLTUHAYQUKG-OAGGEKHMSA-N 1 1 330.436 0.127 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@@H]1n1ccnn1 ZINC001070332572 783840087 /nfs/dbraw/zinc/84/00/87/783840087.db2.gz LIVBLTUHAYQUKG-OAGGEKHMSA-N 1 1 330.436 0.127 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)c3ncc[nH]3)[nH]2)[C@H](C2CC2)C1 ZINC001070351072 783860814 /nfs/dbraw/zinc/86/08/14/783860814.db2.gz GCHHTPJIIJWGLY-QWHCGFSZSA-N 1 1 339.403 0.516 20 30 ECEDMO C#CC[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3ncc[nH]3)n2)[C@H](C2CC2)C1 ZINC001070351072 783860818 /nfs/dbraw/zinc/86/08/18/783860818.db2.gz GCHHTPJIIJWGLY-QWHCGFSZSA-N 1 1 339.403 0.516 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3ncc[nH]3)n2)[C@H](C2CC2)C1 ZINC001070351072 783860823 /nfs/dbraw/zinc/86/08/23/783860823.db2.gz GCHHTPJIIJWGLY-QWHCGFSZSA-N 1 1 339.403 0.516 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)c3ccn[nH]3)[nH]2)[C@H](C2CC2)C1 ZINC001070351218 783864101 /nfs/dbraw/zinc/86/41/01/783864101.db2.gz MYZGDHYFYFHUEH-QWHCGFSZSA-N 1 1 339.403 0.516 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccccc2C#N)C1 ZINC001038136212 783903338 /nfs/dbraw/zinc/90/33/38/783903338.db2.gz LCYMGNWYWYCNOU-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccccc2C#N)C1 ZINC001038136212 783903346 /nfs/dbraw/zinc/90/33/46/783903346.db2.gz LCYMGNWYWYCNOU-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2cnc[nH]2)CC1 ZINC001070380715 783918480 /nfs/dbraw/zinc/91/84/80/783918480.db2.gz VZMOCMULPUTYJM-QAPCUYQASA-N 1 1 345.447 0.614 20 30 ECEDMO Cn1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)cc1=O ZINC001038156469 783924870 /nfs/dbraw/zinc/92/48/70/783924870.db2.gz ZVAQIQZGSDFGHM-AWEZNQCLSA-N 1 1 325.372 0.589 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)cc1=O ZINC001038156469 783924877 /nfs/dbraw/zinc/92/48/77/783924877.db2.gz ZVAQIQZGSDFGHM-AWEZNQCLSA-N 1 1 325.372 0.589 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2COCCO2)C1 ZINC001070384962 783927833 /nfs/dbraw/zinc/92/78/33/783927833.db2.gz UFIASCFCAVVSLI-DOTOQJQBSA-N 1 1 347.415 0.752 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cn(C)nn2)C1 ZINC001070385506 783928489 /nfs/dbraw/zinc/92/84/89/783928489.db2.gz XYXDAFBAHFZEBN-AWEZNQCLSA-N 1 1 342.403 0.779 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001070386563 783932449 /nfs/dbraw/zinc/93/24/49/783932449.db2.gz YKWSMLAMFWEVKQ-LISAXSMJSA-N 1 1 341.411 0.677 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001070386563 783932457 /nfs/dbraw/zinc/93/24/57/783932457.db2.gz YKWSMLAMFWEVKQ-LISAXSMJSA-N 1 1 341.411 0.677 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001070392159 783946927 /nfs/dbraw/zinc/94/69/27/783946927.db2.gz MABRMRVWQUCYRA-CQSZACIVSA-N 1 1 327.388 0.948 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001070403371 783978739 /nfs/dbraw/zinc/97/87/39/783978739.db2.gz QYFCVWRIWMIAAN-HOCLYGCPSA-N 1 1 345.447 0.169 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001070403492 783978922 /nfs/dbraw/zinc/97/89/22/783978922.db2.gz UHHQQVSPIDXNEU-STQMWFEESA-N 1 1 331.420 0.527 20 30 ECEDMO COCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001070403411 783979282 /nfs/dbraw/zinc/97/92/82/783979282.db2.gz RTFPSHGUJJPQAK-GFCCVEGCSA-N 1 1 342.403 0.975 20 30 ECEDMO N#Cc1cc(C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCO)C2)c[nH]1 ZINC001070403535 783979555 /nfs/dbraw/zinc/97/95/55/783979555.db2.gz VNKVSKSKTIQOJQ-LLVKDONJSA-N 1 1 328.376 0.321 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001070412995 784006219 /nfs/dbraw/zinc/00/62/19/784006219.db2.gz PZQPWBNBCPESQH-GXTWGEPZSA-N 1 1 331.420 0.527 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnc[nH]c2=O)C1 ZINC001070413172 784007947 /nfs/dbraw/zinc/00/79/47/784007947.db2.gz VNWVNWGVMBYQPU-NSHDSACASA-N 1 1 328.376 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001070414988 784015467 /nfs/dbraw/zinc/01/54/67/784015467.db2.gz WKCYBLAYAITXHR-LLVKDONJSA-N 1 1 326.360 0.258 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001070417999 784023166 /nfs/dbraw/zinc/02/31/66/784023166.db2.gz DMWCUQGBKNDNLI-GFCCVEGCSA-N 1 1 342.403 0.409 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2coc(OC)n2)C1 ZINC001070418674 784023709 /nfs/dbraw/zinc/02/37/09/784023709.db2.gz UYAPIAFDEHFSOI-NSHDSACASA-N 1 1 329.360 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001070422764 784035930 /nfs/dbraw/zinc/03/59/30/784035930.db2.gz IAIQZPAXHSIUCE-LLVKDONJSA-N 1 1 328.376 0.201 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CSC)C1 ZINC001070901754 784081056 /nfs/dbraw/zinc/08/10/56/784081056.db2.gz JQHUQRWAASOQNO-MCIONIFRSA-N 1 1 337.445 0.479 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CSC)C1 ZINC001070901754 784081063 /nfs/dbraw/zinc/08/10/63/784081063.db2.gz JQHUQRWAASOQNO-MCIONIFRSA-N 1 1 337.445 0.479 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cocn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442869 784088161 /nfs/dbraw/zinc/08/81/61/784088161.db2.gz QYIFVOZSOQDVBF-GFCCVEGCSA-N 1 1 328.376 0.829 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001070907805 784094711 /nfs/dbraw/zinc/09/47/11/784094711.db2.gz YYRGAKUVZGVEFI-CFVMTHIKSA-N 1 1 346.387 0.970 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001070907805 784094714 /nfs/dbraw/zinc/09/47/14/784094714.db2.gz YYRGAKUVZGVEFI-CFVMTHIKSA-N 1 1 346.387 0.970 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cncn1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070446108 784099687 /nfs/dbraw/zinc/09/96/87/784099687.db2.gz SJGSJBHQIGLACP-ZDUSSCGKSA-N 1 1 341.419 0.574 20 30 ECEDMO COCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913252 784104099 /nfs/dbraw/zinc/10/40/99/784104099.db2.gz GOCDMLRZONIPDE-XHSDSOJGSA-N 1 1 347.415 0.152 20 30 ECEDMO COCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913252 784104103 /nfs/dbraw/zinc/10/41/03/784104103.db2.gz GOCDMLRZONIPDE-XHSDSOJGSA-N 1 1 347.415 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070454524 784120923 /nfs/dbraw/zinc/12/09/23/784120923.db2.gz FLMBBENVEYEXGB-CABCVRRESA-N 1 1 348.472 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070454524 784120928 /nfs/dbraw/zinc/12/09/28/784120928.db2.gz FLMBBENVEYEXGB-CABCVRRESA-N 1 1 348.472 0.448 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001070476278 784158172 /nfs/dbraw/zinc/15/81/72/784158172.db2.gz FTVOBTHATSZDOQ-DUVNUKRYSA-N 1 1 341.419 0.397 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001070480957 784165118 /nfs/dbraw/zinc/16/51/18/784165118.db2.gz ZGRXHJBFGOPMAN-DZGCQCFKSA-N 1 1 343.435 0.631 20 30 ECEDMO C=C(C)CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070946007 784189832 /nfs/dbraw/zinc/18/98/32/784189832.db2.gz LVKVEINTGXWGSZ-INIZCTEOSA-N 1 1 336.480 0.697 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2n[nH]c(C)c2C)CC1 ZINC001070947284 784193882 /nfs/dbraw/zinc/19/38/82/784193882.db2.gz QAIZOHMCNWOEQO-UHFFFAOYSA-N 1 1 333.436 0.867 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2n[nH]c(C)c2C)CC1 ZINC001070947284 784193887 /nfs/dbraw/zinc/19/38/87/784193887.db2.gz QAIZOHMCNWOEQO-UHFFFAOYSA-N 1 1 333.436 0.867 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070502438 784199178 /nfs/dbraw/zinc/19/91/78/784199178.db2.gz QPXYBGSBDSRDGT-VWPFQQQWSA-N 1 1 338.415 0.464 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)c2cnc(C#N)cn2)CC1 ZINC001068727258 791007237 /nfs/dbraw/zinc/00/72/37/791007237.db2.gz IWDFLODYSBAAEW-CJNGLKHVSA-N 1 1 342.447 0.973 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001070963293 784243303 /nfs/dbraw/zinc/24/33/03/784243303.db2.gz KMIGDTLYZJIQNC-DLBZAZTESA-N 1 1 348.491 0.697 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001070965491 784251157 /nfs/dbraw/zinc/25/11/57/784251157.db2.gz DTSIDHNQIGOPQP-DLBZAZTESA-N 1 1 348.491 0.391 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001070967992 784257996 /nfs/dbraw/zinc/25/79/96/784257996.db2.gz IGRWGSFXZXYXRP-QGZVFWFLSA-N 1 1 348.491 0.535 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)COCC=C)C1 ZINC001070554082 784265412 /nfs/dbraw/zinc/26/54/12/784265412.db2.gz FQAWVUCBFOFEEY-CVEARBPZSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)COCC=C)C1 ZINC001070554082 784265430 /nfs/dbraw/zinc/26/54/30/784265430.db2.gz FQAWVUCBFOFEEY-CVEARBPZSA-N 1 1 333.432 0.394 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(C)c2C)CC1 ZINC001070969604 784266039 /nfs/dbraw/zinc/26/60/39/784266039.db2.gz YOCHCJFMCOILCO-UHFFFAOYSA-N 1 1 347.463 0.498 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001070970363 784268389 /nfs/dbraw/zinc/26/83/89/784268389.db2.gz AXGYQKTWIATEJV-UHFFFAOYSA-N 1 1 334.464 0.145 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC001070972832 784280214 /nfs/dbraw/zinc/28/02/14/784280214.db2.gz NXPCVMBBWQCTJI-UHFFFAOYSA-N 1 1 347.419 0.413 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@@H]2OC)CC1 ZINC001070976507 784291868 /nfs/dbraw/zinc/29/18/68/784291868.db2.gz GLEHHPVPZCRGFO-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@@H]2OC)CC1 ZINC001070976507 784291875 /nfs/dbraw/zinc/29/18/75/784291875.db2.gz GLEHHPVPZCRGFO-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)cncc2C)CC1 ZINC001070980188 784307138 /nfs/dbraw/zinc/30/71/38/784307138.db2.gz UDBBCFFSEWKHOR-UHFFFAOYSA-N 1 1 342.443 0.986 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)cncc2C)CC1 ZINC001070980188 784307146 /nfs/dbraw/zinc/30/71/46/784307146.db2.gz UDBBCFFSEWKHOR-UHFFFAOYSA-N 1 1 342.443 0.986 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2coc(C(N)=O)c2)CC1 ZINC001070982871 784317011 /nfs/dbraw/zinc/31/70/11/784317011.db2.gz RCOHFDWMMPLBTO-UHFFFAOYSA-N 1 1 348.403 0.219 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2coc(C(N)=O)c2)CC1 ZINC001070982871 784317021 /nfs/dbraw/zinc/31/70/21/784317021.db2.gz RCOHFDWMMPLBTO-UHFFFAOYSA-N 1 1 348.403 0.219 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2OC)CC1 ZINC001070983761 784318565 /nfs/dbraw/zinc/31/85/65/784318565.db2.gz FFCPYCLPTKDOLA-UHFFFAOYSA-N 1 1 349.435 0.269 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2OC)CC1 ZINC001070983761 784318569 /nfs/dbraw/zinc/31/85/69/784318569.db2.gz FFCPYCLPTKDOLA-UHFFFAOYSA-N 1 1 349.435 0.269 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ncccc2F)CC1 ZINC001070992718 784347177 /nfs/dbraw/zinc/34/71/77/784347177.db2.gz VDAOEBYBWXLTTC-UHFFFAOYSA-N 1 1 346.406 0.437 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ncccc2F)CC1 ZINC001070992718 784347185 /nfs/dbraw/zinc/34/71/85/784347185.db2.gz VDAOEBYBWXLTTC-UHFFFAOYSA-N 1 1 346.406 0.437 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070993105 784347224 /nfs/dbraw/zinc/34/72/24/784347224.db2.gz MAXMOZKCUWLUKI-HUUCEWRRSA-N 1 1 334.420 0.890 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001071000009 784369292 /nfs/dbraw/zinc/36/92/92/784369292.db2.gz JVDWMGWBWSPKAB-UHFFFAOYSA-N 1 1 336.480 0.555 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC001071007650 784392930 /nfs/dbraw/zinc/39/29/30/784392930.db2.gz TXXYOFNYXAALKO-WMZOPIPTSA-N 1 1 347.459 0.641 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC001071007650 784392936 /nfs/dbraw/zinc/39/29/36/784392936.db2.gz TXXYOFNYXAALKO-WMZOPIPTSA-N 1 1 347.459 0.641 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnns2)n1 ZINC001070595789 784405440 /nfs/dbraw/zinc/40/54/40/784405440.db2.gz NLAFGAJKMQWAIB-RYUDHWBXSA-N 1 1 346.416 0.709 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cccn2)n1 ZINC001070601494 784417928 /nfs/dbraw/zinc/41/79/28/784417928.db2.gz JXGQDRKZNKSGHT-LSDHHAIUSA-N 1 1 344.419 0.994 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@]2(C)CCOC2)n1 ZINC001070605659 784427105 /nfs/dbraw/zinc/42/71/05/784427105.db2.gz VKCOSXGCOJEIRI-HDMKZQKVSA-N 1 1 346.431 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2ccnc2)n1 ZINC001070606203 784427688 /nfs/dbraw/zinc/42/76/88/784427688.db2.gz RFXOCUGPEDJXTA-LSDHHAIUSA-N 1 1 342.403 0.441 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2ccccc2=O)CC1 ZINC001071020431 784438354 /nfs/dbraw/zinc/43/83/54/784438354.db2.gz BSZUGRLPIYIBAA-UHFFFAOYSA-N 1 1 346.431 0.075 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2ccccc2=O)CC1 ZINC001071020431 784438359 /nfs/dbraw/zinc/43/83/59/784438359.db2.gz BSZUGRLPIYIBAA-UHFFFAOYSA-N 1 1 346.431 0.075 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1c1cncn1C ZINC001070664587 784521291 /nfs/dbraw/zinc/52/12/91/784521291.db2.gz ZNVPONSXPZDYOV-IAGOWNOFSA-N 1 1 348.410 0.899 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001070668612 784525465 /nfs/dbraw/zinc/52/54/65/784525465.db2.gz COIYYRADCHLGBQ-SJORKVTESA-N 1 1 329.444 0.995 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001070668612 784525470 /nfs/dbraw/zinc/52/54/70/784525470.db2.gz COIYYRADCHLGBQ-SJORKVTESA-N 1 1 329.444 0.995 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1 ZINC001070668509 784525626 /nfs/dbraw/zinc/52/56/26/784525626.db2.gz YAEYUWQPJXGAOZ-ZIAGYGMSSA-N 1 1 327.392 0.033 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1c1cncn1C ZINC001070675653 784535683 /nfs/dbraw/zinc/53/56/83/784535683.db2.gz NXDVEWAUSDFNSZ-VXGBXAGGSA-N 1 1 349.826 0.797 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nccnc1N)C[C@H](C)O2 ZINC001071146088 784600770 /nfs/dbraw/zinc/60/07/70/784600770.db2.gz GLCIBRIUOKMZBB-SUMWQHHRSA-N 1 1 331.420 0.940 20 30 ECEDMO COCC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)C[C@H](C)O2 ZINC001071154579 784617257 /nfs/dbraw/zinc/61/72/57/784617257.db2.gz MERVVSFUBBYZKD-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnnn1CC)C[C@H](C)O2 ZINC001071158899 784624163 /nfs/dbraw/zinc/62/41/63/784624163.db2.gz DJCYWWPCVSYBGI-WMLDXEAASA-N 1 1 331.420 0.627 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC1OCCCO1)C[C@@H](C)O2 ZINC001071162860 784634326 /nfs/dbraw/zinc/63/43/26/784634326.db2.gz YNMSNRHZSGEUSR-QAPCUYQASA-N 1 1 336.432 0.855 20 30 ECEDMO C=CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001070735898 784635360 /nfs/dbraw/zinc/63/53/60/784635360.db2.gz FGWFBHYGMWWMMY-QWHCGFSZSA-N 1 1 348.426 0.788 20 30 ECEDMO C=CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001070735898 784635365 /nfs/dbraw/zinc/63/53/65/784635365.db2.gz FGWFBHYGMWWMMY-QWHCGFSZSA-N 1 1 348.426 0.788 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@@H](C)O2 ZINC001071166856 784642776 /nfs/dbraw/zinc/64/27/76/784642776.db2.gz PACJBAYBKRULEV-DYVFJYSZSA-N 1 1 331.420 0.371 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(N(C)C)cn1)C[C@H](C)O2 ZINC001071168968 784646885 /nfs/dbraw/zinc/64/68/85/784646885.db2.gz KFZGJRVNDJYXNN-KSSFIOAISA-N 1 1 343.431 0.481 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(N(C)C)cn1)C[C@H](C)O2 ZINC001071168968 784646894 /nfs/dbraw/zinc/64/68/94/784646894.db2.gz KFZGJRVNDJYXNN-KSSFIOAISA-N 1 1 343.431 0.481 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@@H](C)O2 ZINC001071169730 784649066 /nfs/dbraw/zinc/64/90/66/784649066.db2.gz VZWBVPYMXDZYGG-CXAGYDPISA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@@H](C)O2 ZINC001071169730 784649069 /nfs/dbraw/zinc/64/90/69/784649069.db2.gz VZWBVPYMXDZYGG-CXAGYDPISA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@@H](C)O2 ZINC001071169731 784649403 /nfs/dbraw/zinc/64/94/03/784649403.db2.gz VZWBVPYMXDZYGG-DYVFJYSZSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@@H](C)O2 ZINC001071169731 784649407 /nfs/dbraw/zinc/64/94/07/784649407.db2.gz VZWBVPYMXDZYGG-DYVFJYSZSA-N 1 1 330.388 0.424 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)CC[N@H+](C)CC)C2)nn1 ZINC001070751007 784649896 /nfs/dbraw/zinc/64/98/96/784649896.db2.gz XQZGHMSMIUWYSB-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1C)C[C@H](C)O2 ZINC001071173637 784658590 /nfs/dbraw/zinc/65/85/90/784658590.db2.gz LEINFSBVMIOPEN-KSSFIOAISA-N 1 1 330.432 0.596 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3ncccc13)C[C@@H](C)O2 ZINC001071176503 784665780 /nfs/dbraw/zinc/66/57/80/784665780.db2.gz WNQXKVPBVJKQRR-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3ncccc13)C[C@@H](C)O2 ZINC001071176503 784665782 /nfs/dbraw/zinc/66/57/82/784665782.db2.gz WNQXKVPBVJKQRR-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn[nH]c(=O)c1)C[C@H](C)O2 ZINC001071177929 784670489 /nfs/dbraw/zinc/67/04/89/784670489.db2.gz IANPROIADWMWLP-SUMWQHHRSA-N 1 1 330.388 0.511 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(C)nc1C)C[C@@H](C)O2 ZINC001071178723 784673314 /nfs/dbraw/zinc/67/33/14/784673314.db2.gz VEUQUXAHXOEGSU-DNVCBOLYSA-N 1 1 344.459 0.986 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@@H](C)O2 ZINC001071178927 784674064 /nfs/dbraw/zinc/67/40/64/784674064.db2.gz YHOMATQEISLHHA-KDOFPFPSSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn3c(n1)COCC3)C[C@@H](C)O2 ZINC001071181437 784679799 /nfs/dbraw/zinc/67/97/99/784679799.db2.gz XQMGLAPOGZPVDQ-KDOFPFPSSA-N 1 1 344.415 0.352 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn3c(n1)COCC3)C[C@@H](C)O2 ZINC001071181437 784679804 /nfs/dbraw/zinc/67/98/04/784679804.db2.gz XQMGLAPOGZPVDQ-KDOFPFPSSA-N 1 1 344.415 0.352 20 30 ECEDMO C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@]2(CCN(CC#N)C2)O1 ZINC001071183567 784683957 /nfs/dbraw/zinc/68/39/57/784683957.db2.gz QBVVMRXVDLEBBG-SUMWQHHRSA-N 1 1 347.419 0.565 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@@H](C)O2 ZINC001071183495 784684273 /nfs/dbraw/zinc/68/42/73/784684273.db2.gz OZEZXISEKJJAAY-VQIMIIECSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccn(CCOC)n1)C[C@@H](C)O2 ZINC001071188733 784692901 /nfs/dbraw/zinc/69/29/01/784692901.db2.gz ADHOOMQIMVHPND-QAPCUYQASA-N 1 1 346.431 0.468 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccn(CCOC)n1)C[C@@H](C)O2 ZINC001071188733 784692904 /nfs/dbraw/zinc/69/29/04/784692904.db2.gz ADHOOMQIMVHPND-QAPCUYQASA-N 1 1 346.431 0.468 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ncnc3[nH]ccc31)C[C@@H](C)O2 ZINC001071187184 784692934 /nfs/dbraw/zinc/69/29/34/784692934.db2.gz ZEQJXRFQPSBNDM-FZKQIMNGSA-N 1 1 339.399 0.848 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ncnc3[nH]ccc31)C[C@@H](C)O2 ZINC001071187184 784692939 /nfs/dbraw/zinc/69/29/39/784692939.db2.gz ZEQJXRFQPSBNDM-FZKQIMNGSA-N 1 1 339.399 0.848 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn(CCOC)n1)C[C@@H](C)O2 ZINC001071188731 784693055 /nfs/dbraw/zinc/69/30/55/784693055.db2.gz ADHOOMQIMVHPND-CRAIPNDOSA-N 1 1 346.431 0.468 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn(CCOC)n1)C[C@@H](C)O2 ZINC001071188731 784693061 /nfs/dbraw/zinc/69/30/61/784693061.db2.gz ADHOOMQIMVHPND-CRAIPNDOSA-N 1 1 346.431 0.468 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)n1C)C[C@H](C)O2 ZINC001071198916 784718507 /nfs/dbraw/zinc/71/85/07/784718507.db2.gz HAGWQQXCFIOHCE-SUMWQHHRSA-N 1 1 332.404 0.454 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@H](C)O2 ZINC001071211345 784745404 /nfs/dbraw/zinc/74/54/04/784745404.db2.gz GGLMYIMVDPJBAQ-SCLBCKFNSA-N 1 1 345.399 0.707 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@H](C)O2 ZINC001071219837 784767018 /nfs/dbraw/zinc/76/70/18/784767018.db2.gz YVEOKMQDJDEPJQ-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cnnn1)C[C@@H](C)O2 ZINC001071222433 784775178 /nfs/dbraw/zinc/77/51/78/784775178.db2.gz BWJGXOGHFDQWIW-WBVHZDCISA-N 1 1 348.451 0.721 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CCCO)C3)C2)nc1 ZINC001071230549 784791963 /nfs/dbraw/zinc/79/19/63/784791963.db2.gz IXMPXLMDSMWZJS-BEFAXECRSA-N 1 1 343.427 0.751 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@H](C)O2 ZINC001071240175 784811951 /nfs/dbraw/zinc/81/19/51/784811951.db2.gz AYIIQILRJSLIMX-QFBILLFUSA-N 1 1 343.427 0.563 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccnc1C)C[C@@H](C)O2 ZINC001071240709 784814220 /nfs/dbraw/zinc/81/42/20/784814220.db2.gz JTJWUQKVFIGMOZ-CRAIPNDOSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CCN1CC[C@@]2(C1)CN(C(=O)C1CC[NH+](CC#C)CC1)C[C@H](C)O2 ZINC001071244282 784821620 /nfs/dbraw/zinc/82/16/20/784821620.db2.gz SKSKRVRXMJBJAQ-FXAWDEMLSA-N 1 1 343.471 0.657 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)C[C@H](C)O2 ZINC001071246585 784828526 /nfs/dbraw/zinc/82/85/26/784828526.db2.gz XTQZMVOCGWDALP-UGSOOPFHSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)C[C@H](C)O2 ZINC001071246585 784828530 /nfs/dbraw/zinc/82/85/30/784828530.db2.gz XTQZMVOCGWDALP-UGSOOPFHSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)nc1)C[C@H](C)O2 ZINC001071248742 784831650 /nfs/dbraw/zinc/83/16/50/784831650.db2.gz RSCSZXRMNLNMQY-SCLBCKFNSA-N 1 1 342.399 0.119 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cnccn3)C2)C(=O)C1 ZINC001071252920 784841499 /nfs/dbraw/zinc/84/14/99/784841499.db2.gz BGSBRDPQCIVCIS-HNNXBMFYSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cnccn3)C2)C(=O)C1 ZINC001071252920 784841507 /nfs/dbraw/zinc/84/15/07/784841507.db2.gz BGSBRDPQCIVCIS-HNNXBMFYSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C(=O)C1 ZINC001071272493 784907640 /nfs/dbraw/zinc/90/76/40/784907640.db2.gz PTIJUHRJVZHSLW-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc3c2nnn3C)CC[C@H]1C ZINC001071772436 785082555 /nfs/dbraw/zinc/08/25/55/785082555.db2.gz KWRPECPEHAEQQH-OLZOCXBDSA-N 1 1 326.404 0.969 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071512286 785226295 /nfs/dbraw/zinc/22/62/95/785226295.db2.gz WTGBNTLWCAXJLL-WBVHZDCISA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CC#Cc1ccccc1 ZINC001071512286 785226301 /nfs/dbraw/zinc/22/63/01/785226301.db2.gz WTGBNTLWCAXJLL-WBVHZDCISA-N 1 1 338.415 0.694 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001068763935 791096906 /nfs/dbraw/zinc/09/69/06/791096906.db2.gz FYOSGTZXGOHKQR-HZPDHXFCSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C ZINC001071548504 785283641 /nfs/dbraw/zinc/28/36/41/785283641.db2.gz HCTUEVDWESCIER-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C ZINC001071619726 785405559 /nfs/dbraw/zinc/40/55/59/785405559.db2.gz TWKGVTHQYNUERA-JKSUJKDBSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC[C@@H]1C ZINC001071631617 785420854 /nfs/dbraw/zinc/42/08/54/785420854.db2.gz PEMBSBNZRLLHEK-UONOGXRCSA-N 1 1 342.403 0.926 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@H]1C ZINC001071968761 785438718 /nfs/dbraw/zinc/43/87/18/785438718.db2.gz WVTYXVYQJCQVHC-KGLIPLIRSA-N 1 1 333.436 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)N3CCC3)C2)nc1 ZINC001071999040 785502917 /nfs/dbraw/zinc/50/29/17/785502917.db2.gz MEIROCFNBLLRAZ-GOEBONIOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)N3CCC3)C2)nc1 ZINC001071999040 785502923 /nfs/dbraw/zinc/50/29/23/785502923.db2.gz MEIROCFNBLLRAZ-GOEBONIOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)CC[C@@H]1C ZINC001072043963 785567726 /nfs/dbraw/zinc/56/77/26/785567726.db2.gz HLKSURKISWTGDO-GXTWGEPZSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)CC[C@@H]1C ZINC001072043963 785567728 /nfs/dbraw/zinc/56/77/28/785567728.db2.gz HLKSURKISWTGDO-GXTWGEPZSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@H]1C ZINC001071720961 785584266 /nfs/dbraw/zinc/58/42/66/785584266.db2.gz KOZBNXPAFUKFNA-HUUCEWRRSA-N 1 1 341.415 0.488 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@H]1C ZINC001071721216 785584370 /nfs/dbraw/zinc/58/43/70/785584370.db2.gz NLOLBUCHUTUUJT-KGLIPLIRSA-N 1 1 329.404 0.651 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C ZINC001072099882 785667710 /nfs/dbraw/zinc/66/77/10/785667710.db2.gz YTPGAFPSCWHAAR-STQMWFEESA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001072125517 785706916 /nfs/dbraw/zinc/70/69/16/785706916.db2.gz MMWJVPNGKYTFSU-ZIAGYGMSSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)nn1 ZINC001072287264 785984428 /nfs/dbraw/zinc/98/44/28/785984428.db2.gz URBSBRBXAPVMIQ-ZIAGYGMSSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001072338338 786043250 /nfs/dbraw/zinc/04/32/50/786043250.db2.gz CSQORDVEXDIROG-GJZGRUSLSA-N 1 1 325.453 0.882 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1NC(=O)C#CC1CC1 ZINC001072389775 786122055 /nfs/dbraw/zinc/12/20/55/786122055.db2.gz HNISBMXGVLOWRZ-HOCLYGCPSA-N 1 1 333.432 0.085 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)nc1 ZINC001072464959 786223032 /nfs/dbraw/zinc/22/30/32/786223032.db2.gz PBRYOKQWIMTBMG-PBHICJAKSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C)nc1 ZINC001072479580 786248071 /nfs/dbraw/zinc/24/80/71/786248071.db2.gz YZBFDPVQBNLAGI-YOEHRIQHSA-N 1 1 342.443 0.981 20 30 ECEDMO O=C([C@H]1CCC(=O)N1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001072548302 786352587 /nfs/dbraw/zinc/35/25/87/786352587.db2.gz WVUKLPISWMOXSU-QGZVFWFLSA-N 1 1 337.423 0.851 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3ccco3)C2)C1=O ZINC001073517691 786452456 /nfs/dbraw/zinc/45/24/56/786452456.db2.gz WQOCHRXNXQSWCN-GJZGRUSLSA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)c3ccco3)C2)C1=O ZINC001073517691 786452461 /nfs/dbraw/zinc/45/24/61/786452461.db2.gz WQOCHRXNXQSWCN-GJZGRUSLSA-N 1 1 347.415 0.887 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001074243413 786494718 /nfs/dbraw/zinc/49/47/18/786494718.db2.gz LJRPBPSWJJJDCT-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 ZINC001074273543 786562916 /nfs/dbraw/zinc/56/29/16/786562916.db2.gz LAQYVOMDSXUHSF-CVEARBPZSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 ZINC001074273543 786562920 /nfs/dbraw/zinc/56/29/20/786562920.db2.gz LAQYVOMDSXUHSF-CVEARBPZSA-N 1 1 331.416 0.877 20 30 ECEDMO CC#CCN1CCO[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001074281183 786581035 /nfs/dbraw/zinc/58/10/35/786581035.db2.gz FKFKDQZRWRZLKG-IAGOWNOFSA-N 1 1 346.431 0.675 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 ZINC001074285217 786594023 /nfs/dbraw/zinc/59/40/23/786594023.db2.gz XELCSXVNTWPYML-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 ZINC001074285217 786594028 /nfs/dbraw/zinc/59/40/28/786594028.db2.gz XELCSXVNTWPYML-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)C3CC=CC3)C2)C1=O ZINC001073560371 786603650 /nfs/dbraw/zinc/60/36/50/786603650.db2.gz KCMHMUVRLJJDFG-IRXDYDNUSA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)C3CC=CC3)C2)C1=O ZINC001073560371 786603659 /nfs/dbraw/zinc/60/36/59/786603659.db2.gz KCMHMUVRLJJDFG-IRXDYDNUSA-N 1 1 347.459 0.947 20 30 ECEDMO C=C(C)CCC(=O)N1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001073573476 786650829 /nfs/dbraw/zinc/65/08/29/786650829.db2.gz NEJHZIBHXUAMGF-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO Cn1nccc1C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574526 786653743 /nfs/dbraw/zinc/65/37/43/786653743.db2.gz USXDTWCTCNINDJ-OAHLLOKOSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1nccc1C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574526 786653748 /nfs/dbraw/zinc/65/37/48/786653748.db2.gz USXDTWCTCNINDJ-OAHLLOKOSA-N 1 1 342.403 0.641 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)c[nH]1 ZINC001073575634 786656041 /nfs/dbraw/zinc/65/60/41/786656041.db2.gz KQYZOVVPYRSJRY-BBRMVZONSA-N 1 1 332.404 0.744 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073576201 786658137 /nfs/dbraw/zinc/65/81/37/786658137.db2.gz ZNNXNLPQRBEZDW-IUODEOHRSA-N 1 1 347.419 0.184 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073576201 786658140 /nfs/dbraw/zinc/65/81/40/786658140.db2.gz ZNNXNLPQRBEZDW-IUODEOHRSA-N 1 1 347.419 0.184 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001073597700 786734562 /nfs/dbraw/zinc/73/45/62/786734562.db2.gz GEOGHUOTPGLJMH-CQSZACIVSA-N 1 1 337.424 0.321 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnn2CC(F)F)C1 ZINC001073603923 786754988 /nfs/dbraw/zinc/75/49/88/786754988.db2.gz RXMZAIXOCZXNLL-CYBMUJFWSA-N 1 1 340.374 0.992 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001073603766 786755564 /nfs/dbraw/zinc/75/55/64/786755564.db2.gz ODTVVLFEVLNEBD-HOTGVXAUSA-N 1 1 346.431 0.607 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001073603766 786755570 /nfs/dbraw/zinc/75/55/70/786755570.db2.gz ODTVVLFEVLNEBD-HOTGVXAUSA-N 1 1 346.431 0.607 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001073605474 786760441 /nfs/dbraw/zinc/76/04/41/786760441.db2.gz LNBLPPMJUCFLRB-KURKYZTESA-N 1 1 343.427 1.000 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001073605474 786760447 /nfs/dbraw/zinc/76/04/47/786760447.db2.gz LNBLPPMJUCFLRB-KURKYZTESA-N 1 1 343.427 1.000 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3n[nH]nc32)C1 ZINC001073618150 786781288 /nfs/dbraw/zinc/78/12/88/786781288.db2.gz VTKJGVVMBHGYEZ-ZDUSSCGKSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)CCCO1 ZINC001073636802 786836307 /nfs/dbraw/zinc/83/63/07/786836307.db2.gz HXRATILBDDEZHN-OAHLLOKOSA-N 1 1 348.447 0.583 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)CCCO1 ZINC001073636802 786836319 /nfs/dbraw/zinc/83/63/19/786836319.db2.gz HXRATILBDDEZHN-OAHLLOKOSA-N 1 1 348.447 0.583 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)CCCO1 ZINC001073637302 786837270 /nfs/dbraw/zinc/83/72/70/786837270.db2.gz VPOBPWHZVYHSRD-LSDHHAIUSA-N 1 1 348.447 0.629 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)CCCO1 ZINC001073637302 786837278 /nfs/dbraw/zinc/83/72/78/786837278.db2.gz VPOBPWHZVYHSRD-LSDHHAIUSA-N 1 1 348.447 0.629 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001073639509 786842724 /nfs/dbraw/zinc/84/27/24/786842724.db2.gz HNQKXKVDHKOFKN-CYBMUJFWSA-N 1 1 331.372 0.307 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001073639509 786842738 /nfs/dbraw/zinc/84/27/38/786842738.db2.gz HNQKXKVDHKOFKN-CYBMUJFWSA-N 1 1 331.372 0.307 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001073645022 786859349 /nfs/dbraw/zinc/85/93/49/786859349.db2.gz BKUCPCRTTVZATI-CQSZACIVSA-N 1 1 343.383 0.471 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001073645022 786859354 /nfs/dbraw/zinc/85/93/54/786859354.db2.gz BKUCPCRTTVZATI-CQSZACIVSA-N 1 1 343.383 0.471 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001073645383 786861260 /nfs/dbraw/zinc/86/12/60/786861260.db2.gz LKQALNVFXIDPPG-CVEARBPZSA-N 1 1 345.447 0.839 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001073661226 786906388 /nfs/dbraw/zinc/90/63/88/786906388.db2.gz ZHMJGYNJTNXTNQ-CABCVRRESA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001073661226 786906393 /nfs/dbraw/zinc/90/63/93/786906393.db2.gz ZHMJGYNJTNXTNQ-CABCVRRESA-N 1 1 330.432 0.919 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001073664619 786912337 /nfs/dbraw/zinc/91/23/37/786912337.db2.gz KHHCYTFGTXLAIM-IAGOWNOFSA-N 1 1 339.480 0.880 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001073683980 786964157 /nfs/dbraw/zinc/96/41/57/786964157.db2.gz FKLVSENVZXPWQS-IAGOWNOFSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001073696072 786988166 /nfs/dbraw/zinc/98/81/66/786988166.db2.gz BZDGDPMZSCYRGP-GFCCVEGCSA-N 1 1 329.356 0.987 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001073696072 786988173 /nfs/dbraw/zinc/98/81/73/786988173.db2.gz BZDGDPMZSCYRGP-GFCCVEGCSA-N 1 1 329.356 0.987 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001073717087 787042554 /nfs/dbraw/zinc/04/25/54/787042554.db2.gz VTKNONRMXVCQKP-ZBFHGGJFSA-N 1 1 341.411 0.953 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001073717087 787042562 /nfs/dbraw/zinc/04/25/62/787042562.db2.gz VTKNONRMXVCQKP-ZBFHGGJFSA-N 1 1 341.411 0.953 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001073722618 787056838 /nfs/dbraw/zinc/05/68/38/787056838.db2.gz NDRDNUDWTPEUHF-KBPBESRZSA-N 1 1 333.388 0.980 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001073722618 787056847 /nfs/dbraw/zinc/05/68/47/787056847.db2.gz NDRDNUDWTPEUHF-KBPBESRZSA-N 1 1 333.388 0.980 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001073741966 787099141 /nfs/dbraw/zinc/09/91/41/787099141.db2.gz ZLRCXWYULRFCSL-DOTOQJQBSA-N 1 1 344.459 0.755 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSCC#N)[C@H](C)C1 ZINC001073747579 787118017 /nfs/dbraw/zinc/11/80/17/787118017.db2.gz NIAPWHYRFTVHOV-KGLIPLIRSA-N 1 1 340.493 0.938 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001073749028 787122870 /nfs/dbraw/zinc/12/28/70/787122870.db2.gz OBDRQUGJJCWXHC-GFCCVEGCSA-N 1 1 330.392 0.370 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001074511842 787132000 /nfs/dbraw/zinc/13/20/00/787132000.db2.gz ZAKNEVQDIXFKKN-GJZGRUSLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)CC1 ZINC001073755507 787134744 /nfs/dbraw/zinc/13/47/44/787134744.db2.gz AVBRYHTXBJBUOT-JKSUJKDBSA-N 1 1 335.448 0.828 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)CC1 ZINC001073755507 787134751 /nfs/dbraw/zinc/13/47/51/787134751.db2.gz AVBRYHTXBJBUOT-JKSUJKDBSA-N 1 1 335.448 0.828 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)c1 ZINC001073762705 787150587 /nfs/dbraw/zinc/15/05/87/787150587.db2.gz KQVAEDXAWLJRKB-FUHWJXTLSA-N 1 1 343.427 0.920 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001073772160 787173990 /nfs/dbraw/zinc/17/39/90/787173990.db2.gz GQYWCGPXYIGRLV-AWEZNQCLSA-N 1 1 346.431 0.886 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001073791207 787205821 /nfs/dbraw/zinc/20/58/21/787205821.db2.gz CSMLSEIFGZMISA-GFCCVEGCSA-N 1 1 348.378 0.770 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001073791207 787205824 /nfs/dbraw/zinc/20/58/24/787205824.db2.gz CSMLSEIFGZMISA-GFCCVEGCSA-N 1 1 348.378 0.770 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001073847802 787347673 /nfs/dbraw/zinc/34/76/73/787347673.db2.gz KDPJAHIRGDQJIA-GJZGRUSLSA-N 1 1 349.435 0.636 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001073848196 787348587 /nfs/dbraw/zinc/34/85/87/787348587.db2.gz SCSBTLGKTQHZNR-GJZGRUSLSA-N 1 1 349.435 0.636 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001074593657 787351198 /nfs/dbraw/zinc/35/11/98/787351198.db2.gz YXVXYXJFJVYGGA-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c3c(nn2C)CCC3)C1 ZINC001073853615 787365895 /nfs/dbraw/zinc/36/58/95/787365895.db2.gz KAWPZXPFTNTNSQ-AWEZNQCLSA-N 1 1 330.432 0.753 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001073856595 787371159 /nfs/dbraw/zinc/37/11/59/787371159.db2.gz KDNCAYJFYCTHLD-QGZVFWFLSA-N 1 1 343.427 0.842 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001073856595 787371162 /nfs/dbraw/zinc/37/11/62/787371162.db2.gz KDNCAYJFYCTHLD-QGZVFWFLSA-N 1 1 343.427 0.842 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@@H](C)C(=O)NC)CCCO2)cn1 ZINC001073865279 787399920 /nfs/dbraw/zinc/39/99/20/787399920.db2.gz DYXIYSPNTRWRCK-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)CCCO2)cn1 ZINC001073865279 787399928 /nfs/dbraw/zinc/39/99/28/787399928.db2.gz DYXIYSPNTRWRCK-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001073895760 787463008 /nfs/dbraw/zinc/46/30/08/787463008.db2.gz AYDOVGIUBALODT-DLBZAZTESA-N 1 1 339.480 0.880 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001073898873 787473052 /nfs/dbraw/zinc/47/30/52/787473052.db2.gz DYSBUAWZTXYZJH-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001073898873 787473055 /nfs/dbraw/zinc/47/30/55/787473055.db2.gz DYSBUAWZTXYZJH-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001073906101 787492146 /nfs/dbraw/zinc/49/21/46/787492146.db2.gz SRNPGCFPLNWXRR-CYBMUJFWSA-N 1 1 332.404 0.577 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001073908254 787496965 /nfs/dbraw/zinc/49/69/65/787496965.db2.gz FYTLZVGZOLXNKL-AWEZNQCLSA-N 1 1 332.404 0.577 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(OCC)cn2)C1 ZINC001073914171 787517543 /nfs/dbraw/zinc/51/75/43/787517543.db2.gz KUGISRBBWDJUSG-CQSZACIVSA-N 1 1 332.404 0.719 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 ZINC001073955287 787578107 /nfs/dbraw/zinc/57/81/07/787578107.db2.gz TZIBWMXRVSGJBX-CZUORRHYSA-N 1 1 328.416 0.958 20 30 ECEDMO N#CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCOC3)cc2)CC1 ZINC001074111348 787900838 /nfs/dbraw/zinc/90/08/38/787900838.db2.gz MRTWUQMEZKXQLE-SFHVURJKSA-N 1 1 342.443 0.980 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072595206 788390965 /nfs/dbraw/zinc/39/09/65/788390965.db2.gz HMLWCKRSLJMBGT-GFCCVEGCSA-N 1 1 341.415 0.701 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072634668 788475452 /nfs/dbraw/zinc/47/54/52/788475452.db2.gz GHCYPYFQVNMPRH-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CCn2cncn2)C3)[nH]1 ZINC001072634587 788475706 /nfs/dbraw/zinc/47/57/06/788475706.db2.gz DAQQEWLOORTHKV-UHFFFAOYSA-N 1 1 325.376 0.326 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC2CC2)C3)c[nH]1 ZINC001072639779 788483038 /nfs/dbraw/zinc/48/30/38/788483038.db2.gz JOAHRSXLYBOFGH-UHFFFAOYSA-N 1 1 327.388 0.313 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC2CC2)C3)c[nH]1 ZINC001072639779 788483040 /nfs/dbraw/zinc/48/30/40/788483040.db2.gz JOAHRSXLYBOFGH-UHFFFAOYSA-N 1 1 327.388 0.313 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cnc4ccccn4c3=O)C2)C1 ZINC001072861965 788982860 /nfs/dbraw/zinc/98/28/60/788982860.db2.gz GMFBKOLGCDNVAS-UHFFFAOYSA-N 1 1 336.395 0.866 20 30 ECEDMO C=CCOc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)cc1 ZINC001072864847 788989712 /nfs/dbraw/zinc/98/97/12/788989712.db2.gz TYDHCLXMCSUGKX-UHFFFAOYSA-N 1 1 329.400 0.885 20 30 ECEDMO C=CCOc1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)cc1 ZINC001072864847 788989714 /nfs/dbraw/zinc/98/97/14/788989714.db2.gz TYDHCLXMCSUGKX-UHFFFAOYSA-N 1 1 329.400 0.885 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(=O)NC)C3)c1 ZINC001072968583 789181010 /nfs/dbraw/zinc/18/10/10/789181010.db2.gz SPYLYPAOORHYRJ-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001073025713 789295535 /nfs/dbraw/zinc/29/55/35/789295535.db2.gz UEBSNQWZGWKLAZ-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073029047 789305372 /nfs/dbraw/zinc/30/53/72/789305372.db2.gz KEDAXFBPYPMEGK-LSDHHAIUSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001075397306 789324318 /nfs/dbraw/zinc/32/43/18/789324318.db2.gz KHCFPMRIVXTQIM-LSDHHAIUSA-N 1 1 333.436 0.909 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CC(C)(C)O)CC1 ZINC001073121993 789477517 /nfs/dbraw/zinc/47/75/17/789477517.db2.gz SDGCNYBQLXJGGN-HNNXBMFYSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CC(C)(C)O)CC1 ZINC001073121993 789477522 /nfs/dbraw/zinc/47/75/22/789477522.db2.gz SDGCNYBQLXJGGN-HNNXBMFYSA-N 1 1 349.475 0.742 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001073150194 789530717 /nfs/dbraw/zinc/53/07/17/789530717.db2.gz OCJMBEGCIXLZQT-HNNXBMFYSA-N 1 1 339.461 0.016 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)C#CC3CC3)C(C)(C)C2)C1 ZINC001073388994 789780451 /nfs/dbraw/zinc/78/04/51/789780451.db2.gz SSFHTISCDUWTEL-HZPDHXFCSA-N 1 1 347.459 0.474 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)C#CC3CC3)C(C)(C)C2)C1 ZINC001073388994 789780456 /nfs/dbraw/zinc/78/04/56/789780456.db2.gz SSFHTISCDUWTEL-HZPDHXFCSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3nc4nc(C)cc(C)n4n3)C2)C1 ZINC001073403027 789794785 /nfs/dbraw/zinc/79/47/85/789794785.db2.gz VWZQXVIRMGNLQT-UHFFFAOYSA-N 1 1 338.415 0.912 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC001073412400 789803508 /nfs/dbraw/zinc/80/35/08/789803508.db2.gz OKBMFJFEGXHWSX-UHFFFAOYSA-N 1 1 334.420 0.381 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001073414596 789805764 /nfs/dbraw/zinc/80/57/64/789805764.db2.gz JHOYOMAMAZFRHU-UHFFFAOYSA-N 1 1 335.795 0.476 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001073414596 789805766 /nfs/dbraw/zinc/80/57/66/789805766.db2.gz JHOYOMAMAZFRHU-UHFFFAOYSA-N 1 1 335.795 0.476 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCN([C@@H](CC)C(N)=O)C3)CC1 ZINC001073457437 789864899 /nfs/dbraw/zinc/86/48/99/789864899.db2.gz QFMPLJKCMFDZIM-INIZCTEOSA-N 1 1 346.475 0.130 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069548107 789892564 /nfs/dbraw/zinc/89/25/64/789892564.db2.gz OMFNVDDBOUIKDS-CHWSQXEVSA-N 1 1 328.420 0.513 20 30 ECEDMO Cc1nc(NC2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001069719192 789986865 /nfs/dbraw/zinc/98/68/65/789986865.db2.gz DXOLGHDJTUAJLO-GPANFISMSA-N 1 1 343.431 0.994 20 30 ECEDMO Cc1nc(NC2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001069719192 789986868 /nfs/dbraw/zinc/98/68/68/789986868.db2.gz DXOLGHDJTUAJLO-GPANFISMSA-N 1 1 343.431 0.994 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)c2C1 ZINC001069882885 790148466 /nfs/dbraw/zinc/14/84/66/790148466.db2.gz GJHHWQYFAGWONQ-QGZVFWFLSA-N 1 1 345.447 0.059 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)c2C1 ZINC001069882885 790148467 /nfs/dbraw/zinc/14/84/67/790148467.db2.gz GJHHWQYFAGWONQ-QGZVFWFLSA-N 1 1 345.447 0.059 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001069910202 790179134 /nfs/dbraw/zinc/17/91/34/790179134.db2.gz JKEXVSZMKKUGCN-CVEARBPZSA-N 1 1 326.404 0.833 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2n2ccnn2)c[nH]1 ZINC001069911674 790180835 /nfs/dbraw/zinc/18/08/35/790180835.db2.gz HCJFZBZRFLEATI-CVEARBPZSA-N 1 1 339.403 0.933 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069919524 790190522 /nfs/dbraw/zinc/19/05/22/790190522.db2.gz UQCXUIHCQOCXIF-KGLIPLIRSA-N 1 1 330.396 0.121 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069919524 790190524 /nfs/dbraw/zinc/19/05/24/790190524.db2.gz UQCXUIHCQOCXIF-KGLIPLIRSA-N 1 1 330.396 0.121 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069925851 790196434 /nfs/dbraw/zinc/19/64/34/790196434.db2.gz BCRSRSHKVVFEDY-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069925851 790196437 /nfs/dbraw/zinc/19/64/37/790196437.db2.gz BCRSRSHKVVFEDY-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069925917 790197481 /nfs/dbraw/zinc/19/74/81/790197481.db2.gz FMGZQYARICVYEW-CVEARBPZSA-N 1 1 341.419 0.998 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)[C@H]1C ZINC001068861951 791290654 /nfs/dbraw/zinc/29/06/54/791290654.db2.gz POZAXTQLQJQQFQ-BXUZGUMPSA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)C[C@@H](NC(=O)C#CC2CC2)CO3)C1 ZINC001068863272 791295472 /nfs/dbraw/zinc/29/54/72/791295472.db2.gz STAXYVFYICJIPK-GOEBONIOSA-N 1 1 345.443 0.228 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2COC3(CN(C(=O)C#CC(C)(C)C)C3)C2)C1 ZINC001068874363 791321252 /nfs/dbraw/zinc/32/12/52/791321252.db2.gz OFZSEZKHLCHOIC-GJZGRUSLSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)C[C@H](NC(=O)C[N@@H+](C)C1CCC1)CO2 ZINC001068904717 791383192 /nfs/dbraw/zinc/38/31/92/791383192.db2.gz BKDHTASNBGFWEN-OLZOCXBDSA-N 1 1 334.420 0.116 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001068935929 791456808 /nfs/dbraw/zinc/45/68/08/791456808.db2.gz VSKZBDAKFITVOE-CVEARBPZSA-N 1 1 347.459 0.474 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H](C)C#N)CO2 ZINC001069002244 791572134 /nfs/dbraw/zinc/57/21/34/791572134.db2.gz CTIYUXMGPRJHNQ-KBPBESRZSA-N 1 1 336.436 0.364 20 30 ECEDMO C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069118769 791719478 /nfs/dbraw/zinc/71/94/78/791719478.db2.gz JGCRFOAGKMBJJB-KGLIPLIRSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001066675879 791970000 /nfs/dbraw/zinc/97/00/00/791970000.db2.gz VSNWUGSAEKUJTM-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@@H+](CC(=O)N1CCO[C@@H](CNc2ccncc2C#N)C1)C1CCC1 ZINC001066687236 791989900 /nfs/dbraw/zinc/98/99/00/791989900.db2.gz IJVBLWIUNAVSLD-INIZCTEOSA-N 1 1 343.431 0.499 20 30 ECEDMO N#Cc1nccc(N2CC[NH+]([C@H]3CCN(C(=O)C4CCC4)C3)CC2)n1 ZINC001066694641 792008907 /nfs/dbraw/zinc/00/89/07/792008907.db2.gz RHQNQHSGRKEVFZ-HNNXBMFYSA-N 1 1 340.431 0.871 20 30 ECEDMO COCC(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066699322 792023429 /nfs/dbraw/zinc/02/34/29/792023429.db2.gz XDNAXVQDRPVSPU-MRXNPFEDSA-N 1 1 329.404 0.323 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H](C)OCC=C ZINC001067690618 792106874 /nfs/dbraw/zinc/10/68/74/792106874.db2.gz HNHISBABINLDRN-SJORKVTESA-N 1 1 349.475 0.982 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H](C)OCC=C ZINC001067690618 792106882 /nfs/dbraw/zinc/10/68/82/792106882.db2.gz HNHISBABINLDRN-SJORKVTESA-N 1 1 349.475 0.982 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1cncc(C#N)n1 ZINC001067762842 792245970 /nfs/dbraw/zinc/24/59/70/792245970.db2.gz KBTATXYLXRXKPL-ZFWWWQNUSA-N 1 1 328.420 0.727 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2ccncc2C#N)C1 ZINC001066891335 792294664 /nfs/dbraw/zinc/29/46/64/792294664.db2.gz XWVLCLMRXOMSQS-WMZOPIPTSA-N 1 1 343.431 0.235 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2ccc(C#N)nc2)C1 ZINC001066891343 792294799 /nfs/dbraw/zinc/29/47/99/792294799.db2.gz XYUORIAEHIOJIT-FUHWJXTLSA-N 1 1 343.431 0.813 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(Nc3cncc(C#N)n3)C2)C1 ZINC001066905920 792338656 /nfs/dbraw/zinc/33/86/56/792338656.db2.gz FWXXBDZHPLZQOF-DYVFJYSZSA-N 1 1 344.419 0.065 20 30 ECEDMO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001067867039 792393872 /nfs/dbraw/zinc/39/38/72/792393872.db2.gz ZHAYMJBBWJBYJX-CQDIZWNASA-N 1 1 348.447 0.316 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC2CC(CNc3ccnc(C#N)n3)C2)C1 ZINC001067885109 792423216 /nfs/dbraw/zinc/42/32/16/792423216.db2.gz FRHXTQINAXYLTC-UHFFFAOYSA-N 1 1 342.447 0.809 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cncc(C#N)n3)CC2(C)C)C1 ZINC001068102690 792676005 /nfs/dbraw/zinc/67/60/05/792676005.db2.gz VWMIWGUOACSYKO-UONOGXRCSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cncc(C#N)n3)CC2(C)C)C1 ZINC001068102690 792676010 /nfs/dbraw/zinc/67/60/10/792676010.db2.gz VWMIWGUOACSYKO-UONOGXRCSA-N 1 1 344.419 0.010 20 30 ECEDMO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001067079988 792676033 /nfs/dbraw/zinc/67/60/33/792676033.db2.gz HPBXOSGAEVJCEK-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001067079988 792676041 /nfs/dbraw/zinc/67/60/41/792676041.db2.gz HPBXOSGAEVJCEK-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC1(C)C ZINC001068112326 792692089 /nfs/dbraw/zinc/69/20/89/792692089.db2.gz OUWNLYBZARTPCY-CQSZACIVSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(C)=O)CC1 ZINC001068246852 792929801 /nfs/dbraw/zinc/92/98/01/792929801.db2.gz KYDRQEYVCBMAQT-OLMNPRSZSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001067289243 792941171 /nfs/dbraw/zinc/94/11/71/792941171.db2.gz NJNQGVFUQYOAGJ-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001068389739 793184619 /nfs/dbraw/zinc/18/46/19/793184619.db2.gz QHCAFWKVVSQSJR-UHFFFAOYSA-N 1 1 344.415 0.435 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001068399088 793216476 /nfs/dbraw/zinc/21/64/76/793216476.db2.gz PSNPNRMSSFLDEF-OAHLLOKOSA-N 1 1 333.432 0.037 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)C[N@H+](C)C1CCC1)CCO2 ZINC001068407159 793242916 /nfs/dbraw/zinc/24/29/16/793242916.db2.gz USLNFOHWKADEOB-UHFFFAOYSA-N 1 1 335.448 0.877 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)C[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001068415898 793268994 /nfs/dbraw/zinc/26/89/94/793268994.db2.gz CBUHIWCCOHHAQM-MRXNPFEDSA-N 1 1 347.459 0.427 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)CN(C)C(=O)COC)C1 ZINC001267466989 837473661 /nfs/dbraw/zinc/47/36/61/837473661.db2.gz UVLQPSPRHDGLPH-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001267486317 837548169 /nfs/dbraw/zinc/54/81/69/837548169.db2.gz BJKDTAMJXSVPDB-AWEZNQCLSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([C@H](C)[NH2+]CC(N)=O)CC2)CC1 ZINC001267494317 837563522 /nfs/dbraw/zinc/56/35/22/837563522.db2.gz RMERXGKWHLTBAV-AWEZNQCLSA-N 1 1 334.464 0.034 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CS(=O)(=O)NC)C1 ZINC001267496269 837567274 /nfs/dbraw/zinc/56/72/74/837567274.db2.gz QBHCSNNVLYZDPQ-CQSZACIVSA-N 1 1 331.482 0.815 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001267541845 837729083 /nfs/dbraw/zinc/72/90/83/837729083.db2.gz JLCHRULVCGBZGZ-ZIAGYGMSSA-N 1 1 329.466 0.260 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001267541845 837729093 /nfs/dbraw/zinc/72/90/93/837729093.db2.gz JLCHRULVCGBZGZ-ZIAGYGMSSA-N 1 1 329.466 0.260 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2ncc(OC)cn2)C1 ZINC001267544734 837733322 /nfs/dbraw/zinc/73/33/22/837733322.db2.gz MXQOGHOXYBDECG-CQSZACIVSA-N 1 1 332.404 0.577 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267544606 837733471 /nfs/dbraw/zinc/73/34/71/837733471.db2.gz RWKCPKIGTZEEGW-AWEZNQCLSA-N 1 1 334.420 0.838 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cnn(C)c2CC)C1 ZINC001267544416 837733894 /nfs/dbraw/zinc/73/38/94/837733894.db2.gz LGMDHRRTBKRILV-AWEZNQCLSA-N 1 1 347.463 0.727 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2[nH]cnc2C)C1 ZINC001267548271 837744530 /nfs/dbraw/zinc/74/45/30/837744530.db2.gz BVTGVUAVJPUBGU-OAHLLOKOSA-N 1 1 345.447 0.323 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2[nH]cnc2C)C1 ZINC001267548271 837744538 /nfs/dbraw/zinc/74/45/38/837744538.db2.gz BVTGVUAVJPUBGU-OAHLLOKOSA-N 1 1 345.447 0.323 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc(C)nc2)C1 ZINC001267552513 837755432 /nfs/dbraw/zinc/75/54/32/837755432.db2.gz YXCAFAYVSPLGQX-HNNXBMFYSA-N 1 1 328.416 0.581 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001267552298 837757599 /nfs/dbraw/zinc/75/75/99/837757599.db2.gz MBRKOSCTESLFCW-OAGGEKHMSA-N 1 1 335.448 0.379 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](CCNC(=O)C#CC3CC3)C2)CCO1 ZINC001267555324 837759967 /nfs/dbraw/zinc/75/99/67/837759967.db2.gz FKKKLKHQLBDJPA-DOTOQJQBSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001267554742 837760454 /nfs/dbraw/zinc/76/04/54/837760454.db2.gz BMMLHSDUAVRCCR-CABCVRRESA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CC[N@H+](Cc2nnc3n2CCOC3)C1 ZINC001267556125 837763208 /nfs/dbraw/zinc/76/32/08/837763208.db2.gz MXWQSBGXFRFCSH-HNNXBMFYSA-N 1 1 345.447 0.940 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CC[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC001267556125 837763215 /nfs/dbraw/zinc/76/32/15/837763215.db2.gz MXWQSBGXFRFCSH-HNNXBMFYSA-N 1 1 345.447 0.940 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001267557626 837765289 /nfs/dbraw/zinc/76/52/89/837765289.db2.gz JREVIZJHOGZIQM-GFCCVEGCSA-N 1 1 339.417 0.392 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267557599 837765857 /nfs/dbraw/zinc/76/58/57/837765857.db2.gz IXEZDMZWZLMLMZ-JKSUJKDBSA-N 1 1 349.479 0.329 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NCC[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267557599 837765866 /nfs/dbraw/zinc/76/58/66/837765866.db2.gz IXEZDMZWZLMLMZ-JKSUJKDBSA-N 1 1 349.479 0.329 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2ncccc2F)C1 ZINC001267564242 837779391 /nfs/dbraw/zinc/77/93/91/837779391.db2.gz OXQGXIPDYIJZLT-AWEZNQCLSA-N 1 1 346.406 0.341 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001267564470 837779493 /nfs/dbraw/zinc/77/94/93/837779493.db2.gz BLPALCPUPZDFIW-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2[nH]c(C)nc2C)C1 ZINC001267565162 837780326 /nfs/dbraw/zinc/78/03/26/837780326.db2.gz KCSAPVYPDRBDOK-DZGCQCFKSA-N 1 1 345.447 0.606 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccnc(C)n2)C1 ZINC001267571903 837805731 /nfs/dbraw/zinc/80/57/31/837805731.db2.gz USZMDWKDJRHYBL-AWEZNQCLSA-N 1 1 331.420 0.529 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CC[NH+]1CCN(Cc2cncn2C)CC1 ZINC001267572113 837808283 /nfs/dbraw/zinc/80/82/83/837808283.db2.gz FOKOMTKTJDMPHQ-SFHVURJKSA-N 1 1 349.479 0.323 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC23CCC3)CC1 ZINC001267575550 837828274 /nfs/dbraw/zinc/82/82/74/837828274.db2.gz FWFVYPBKVFVGNX-QGZVFWFLSA-N 1 1 333.476 0.902 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001267577089 837833666 /nfs/dbraw/zinc/83/36/66/837833666.db2.gz GBHDAOHDZGCGLV-OLZOCXBDSA-N 1 1 347.419 0.267 20 30 ECEDMO Cc1nnc([C@@H](C)N2CC[NH+](CCCNC(=O)[C@@H](C)C#N)CC2)o1 ZINC001266259995 835570021 /nfs/dbraw/zinc/57/00/21/835570021.db2.gz MGXAOZOMMWNRIW-QWHCGFSZSA-N 1 1 334.424 0.723 20 30 ECEDMO C=C(Cl)CN1CC[NH+](CCCNC(=O)c2cnnn2CC)CC1 ZINC001266262328 835573765 /nfs/dbraw/zinc/57/37/65/835573765.db2.gz ICUNZHUGGBYJAE-UHFFFAOYSA-N 1 1 340.859 0.788 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc[nH]c1C ZINC001266265691 835579937 /nfs/dbraw/zinc/57/99/37/835579937.db2.gz LHAJPFKNEBYAPV-LBPRGKRZSA-N 1 1 335.408 0.385 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc[nH]c1C ZINC001266265691 835579942 /nfs/dbraw/zinc/57/99/42/835579942.db2.gz LHAJPFKNEBYAPV-LBPRGKRZSA-N 1 1 335.408 0.385 20 30 ECEDMO C[C@H]1CCn2cc(C(=O)NCCC[NH+]3CCN(CC#N)CC3)nc2C1 ZINC001266267137 835584083 /nfs/dbraw/zinc/58/40/83/835584083.db2.gz PLWZEBYORNSNAB-HNNXBMFYSA-N 1 1 344.463 0.726 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)c2cnn3cc(C)cnc23)CC1 ZINC001266273399 835595693 /nfs/dbraw/zinc/59/56/93/835595693.db2.gz KLJLSKXMNSADMB-UHFFFAOYSA-N 1 1 342.447 0.961 20 30 ECEDMO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1)N1C(=O)CCC1=O ZINC001266280556 835608564 /nfs/dbraw/zinc/60/85/64/835608564.db2.gz JZQCUNDYCUSGDF-CYBMUJFWSA-N 1 1 342.399 0.644 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCCN1CC[NH+](Cc2cnccc2C)CC1 ZINC001266283581 835614594 /nfs/dbraw/zinc/61/45/94/835614594.db2.gz RSRITYGULZMJEX-IBGZPJMESA-N 1 1 346.475 0.951 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)CCc2c(C)nn(C)c2C)CC1 ZINC001266290206 835634139 /nfs/dbraw/zinc/63/41/39/835634139.db2.gz QQPHOPOSMDPSNK-UHFFFAOYSA-N 1 1 331.464 0.337 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)Cc2c(C)cc(C)[nH]c2=O)CC1 ZINC001266290240 835634212 /nfs/dbraw/zinc/63/42/12/835634212.db2.gz RXEYRXQOYIRXRP-UHFFFAOYSA-N 1 1 344.459 0.704 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)[C@H](C)NC(=O)c2ccccc2)CC1 ZINC001266297233 835646323 /nfs/dbraw/zinc/64/63/23/835646323.db2.gz MRDJXAIUPZGDCX-INIZCTEOSA-N 1 1 342.443 0.172 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1ccc(-n2ccnc2)nc1 ZINC001266304505 835667808 /nfs/dbraw/zinc/66/78/08/835667808.db2.gz ZJNQDKHAEJNPDA-UHFFFAOYSA-N 1 1 327.388 0.579 20 30 ECEDMO CN1CC[C@@H](C(=O)NCC[N@@H+](C)Cc2ccc(OCC#N)cc2)C1=O ZINC001266311917 835679283 /nfs/dbraw/zinc/67/92/83/835679283.db2.gz LYTMRSSNWJLSRR-INIZCTEOSA-N 1 1 344.415 0.615 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001266322855 835697364 /nfs/dbraw/zinc/69/73/64/835697364.db2.gz PDFNFBSZQZBODA-SNVBAGLBSA-N 1 1 330.310 0.882 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001266322855 835697367 /nfs/dbraw/zinc/69/73/67/835697367.db2.gz PDFNFBSZQZBODA-SNVBAGLBSA-N 1 1 330.310 0.882 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[N@@H+](C)[C@H]2CCN(C(C)C)C2=O)nn1 ZINC001266335178 835718139 /nfs/dbraw/zinc/71/81/39/835718139.db2.gz LMUOIOJPOYTUKI-HNNXBMFYSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[N@H+](C)[C@H]2CCN(C(C)C)C2=O)nn1 ZINC001266335178 835718147 /nfs/dbraw/zinc/71/81/47/835718147.db2.gz LMUOIOJPOYTUKI-HNNXBMFYSA-N 1 1 348.451 0.525 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001266336162 835719646 /nfs/dbraw/zinc/71/96/46/835719646.db2.gz KVHRQVMKNWLNQZ-WMZOPIPTSA-N 1 1 349.475 0.470 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001266336162 835719652 /nfs/dbraw/zinc/71/96/52/835719652.db2.gz KVHRQVMKNWLNQZ-WMZOPIPTSA-N 1 1 349.475 0.470 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](C)CCOC[C@@H]2CCCO2)nc1 ZINC001266350661 835747362 /nfs/dbraw/zinc/74/73/62/835747362.db2.gz PMERKKPSPXXOBI-INIZCTEOSA-N 1 1 331.416 0.920 20 30 ECEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CCC)S(N)(=O)=O)C[C@H]2C1 ZINC001279380706 835764005 /nfs/dbraw/zinc/76/40/05/835764005.db2.gz TUZIPKOWZBLCPL-ZNMIVQPWSA-N 1 1 343.493 0.800 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001266359104 835767306 /nfs/dbraw/zinc/76/73/06/835767306.db2.gz NNMPJHASYSFNLA-DGCLKSJQSA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001266359104 835767313 /nfs/dbraw/zinc/76/73/13/835767313.db2.gz NNMPJHASYSFNLA-DGCLKSJQSA-N 1 1 342.403 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)[C@H](C)c1nc(C)no1 ZINC001266394183 835801703 /nfs/dbraw/zinc/80/17/03/835801703.db2.gz JXSARQVCTQNMNF-HIFRSBDPSA-N 1 1 333.436 0.975 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)[C@H](C)c1nc(C)no1 ZINC001266394183 835801711 /nfs/dbraw/zinc/80/17/11/835801711.db2.gz JXSARQVCTQNMNF-HIFRSBDPSA-N 1 1 333.436 0.975 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001266399361 835807096 /nfs/dbraw/zinc/80/70/96/835807096.db2.gz SNXLLUJSYZLVOU-LSDHHAIUSA-N 1 1 345.447 0.022 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001266399361 835807098 /nfs/dbraw/zinc/80/70/98/835807098.db2.gz SNXLLUJSYZLVOU-LSDHHAIUSA-N 1 1 345.447 0.022 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cc(CC)nnc1C ZINC001266405782 835812319 /nfs/dbraw/zinc/81/23/19/835812319.db2.gz GKMVBBJJFOFMQN-AWEZNQCLSA-N 1 1 345.447 0.537 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cc(CC)nnc1C ZINC001266405782 835812328 /nfs/dbraw/zinc/81/23/28/835812328.db2.gz GKMVBBJJFOFMQN-AWEZNQCLSA-N 1 1 345.447 0.537 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1csc(=O)[nH]1 ZINC001266411591 835816742 /nfs/dbraw/zinc/81/67/42/835816742.db2.gz ZXGWDNKWZAYNNK-SNVBAGLBSA-N 1 1 326.422 0.591 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1csc(=O)[nH]1 ZINC001266411591 835816753 /nfs/dbraw/zinc/81/67/53/835816753.db2.gz ZXGWDNKWZAYNNK-SNVBAGLBSA-N 1 1 326.422 0.591 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)Cc1ccc(F)c(F)c1 ZINC001266413873 835818750 /nfs/dbraw/zinc/81/87/50/835818750.db2.gz VQSYMQYXOUAOOY-UHFFFAOYSA-N 1 1 337.370 0.695 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)Cc1ccc(F)c(F)c1 ZINC001266413873 835818754 /nfs/dbraw/zinc/81/87/54/835818754.db2.gz VQSYMQYXOUAOOY-UHFFFAOYSA-N 1 1 337.370 0.695 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001266418144 835823701 /nfs/dbraw/zinc/82/37/01/835823701.db2.gz RAMFZSRODLFLNS-JKSUJKDBSA-N 1 1 328.416 0.373 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001266418144 835823712 /nfs/dbraw/zinc/82/37/12/835823712.db2.gz RAMFZSRODLFLNS-JKSUJKDBSA-N 1 1 328.416 0.373 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cccc2c1OCC2 ZINC001266418318 835824206 /nfs/dbraw/zinc/82/42/06/835824206.db2.gz VEELTQFTTCTBIU-AWEZNQCLSA-N 1 1 343.427 0.811 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cccc2c1OCC2 ZINC001266418318 835824218 /nfs/dbraw/zinc/82/42/18/835824218.db2.gz VEELTQFTTCTBIU-AWEZNQCLSA-N 1 1 343.427 0.811 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCc2ccccc2C1 ZINC001266420079 835824807 /nfs/dbraw/zinc/82/48/07/835824807.db2.gz FNDDJNYCCNHPRH-SFHVURJKSA-N 1 1 341.455 0.979 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCc2ccccc2C1 ZINC001266420079 835824816 /nfs/dbraw/zinc/82/48/16/835824816.db2.gz FNDDJNYCCNHPRH-SFHVURJKSA-N 1 1 341.455 0.979 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cnn(-c2ccccn2)c1 ZINC001266420698 835825039 /nfs/dbraw/zinc/82/50/39/835825039.db2.gz MFYQGGJDFDKGQF-UHFFFAOYSA-N 1 1 341.415 0.969 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cn(C)nc1C(C)C)CC(=O)NCC#N ZINC001266437929 835842672 /nfs/dbraw/zinc/84/26/72/835842672.db2.gz RBLSUBNYAUSVHZ-UHFFFAOYSA-N 1 1 334.424 0.235 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cn(C)nc1C(C)C)CC(=O)NCC#N ZINC001266437929 835842680 /nfs/dbraw/zinc/84/26/80/835842680.db2.gz RBLSUBNYAUSVHZ-UHFFFAOYSA-N 1 1 334.424 0.235 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001266455429 835858308 /nfs/dbraw/zinc/85/83/08/835858308.db2.gz DQSVGXSOQYUXQO-LSDHHAIUSA-N 1 1 338.452 0.254 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@H+]1CCCN1CCCC1=O ZINC001266457859 835860448 /nfs/dbraw/zinc/86/04/48/835860448.db2.gz NTBSMQJYJRQOFZ-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CCC[N@H+]1CCCN1CCCC1=O ZINC001266457858 835861285 /nfs/dbraw/zinc/86/12/85/835861285.db2.gz NTBSMQJYJRQOFZ-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001266459855 835861964 /nfs/dbraw/zinc/86/19/64/835861964.db2.gz UOFLNTTVDQHNEQ-HOTGVXAUSA-N 1 1 335.448 0.333 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)/C=C(/C)CC ZINC001266461571 835862818 /nfs/dbraw/zinc/86/28/18/835862818.db2.gz ROSLOSGNYXSAIO-QLKUMGTLSA-N 1 1 336.436 0.935 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C(/C)CC ZINC001266461571 835862823 /nfs/dbraw/zinc/86/28/23/835862823.db2.gz ROSLOSGNYXSAIO-QLKUMGTLSA-N 1 1 336.436 0.935 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)/C=C(\C)CC ZINC001266461572 835862952 /nfs/dbraw/zinc/86/29/52/835862952.db2.gz ROSLOSGNYXSAIO-UELRPHRMSA-N 1 1 336.436 0.935 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)/C=C(\C)CC ZINC001266461572 835862961 /nfs/dbraw/zinc/86/29/61/835862961.db2.gz ROSLOSGNYXSAIO-UELRPHRMSA-N 1 1 336.436 0.935 20 30 ECEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001266469399 835871809 /nfs/dbraw/zinc/87/18/09/835871809.db2.gz KULKGKJHZRIBRT-OAHLLOKOSA-N 1 1 347.463 0.738 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2ncccc2F)C1 ZINC001266468843 835872156 /nfs/dbraw/zinc/87/21/56/835872156.db2.gz AULXWGOMCKLGGD-CQSZACIVSA-N 1 1 346.406 0.754 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCCCC(N)=O)C1 ZINC001266472991 835875869 /nfs/dbraw/zinc/87/58/69/835875869.db2.gz UGMBIIKQWJINRP-MRXNPFEDSA-N 1 1 337.464 0.852 20 30 ECEDMO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)CN1CCCCS1(=O)=O ZINC001266473786 835876504 /nfs/dbraw/zinc/87/65/04/835876504.db2.gz AFJYLJVSSQXPMH-OAHLLOKOSA-N 1 1 343.493 0.959 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2[nH]cnc2C)C1 ZINC001266475355 835877462 /nfs/dbraw/zinc/87/74/62/835877462.db2.gz FLBCKJCSXGZFEG-AWEZNQCLSA-N 1 1 333.436 0.804 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cncc(C)c1 ZINC001266474654 835877479 /nfs/dbraw/zinc/87/74/79/835877479.db2.gz SSKYERUXLMCKSF-DOTOQJQBSA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1cncc(C)c1 ZINC001266474654 835877487 /nfs/dbraw/zinc/87/74/87/835877487.db2.gz SSKYERUXLMCKSF-DOTOQJQBSA-N 1 1 342.443 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)Cc2ncc[nH]2)C1=O ZINC001266485474 835885344 /nfs/dbraw/zinc/88/53/44/835885344.db2.gz CLWNEDQKNOEGJM-ZIAGYGMSSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncccn1 ZINC001266486932 835886714 /nfs/dbraw/zinc/88/67/14/835886714.db2.gz SHUNVECLVRQBQT-HNNXBMFYSA-N 1 1 343.431 0.871 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ncccn1 ZINC001266486932 835886720 /nfs/dbraw/zinc/88/67/20/835886720.db2.gz SHUNVECLVRQBQT-HNNXBMFYSA-N 1 1 343.431 0.871 20 30 ECEDMO C#CCNC(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266486950 835886895 /nfs/dbraw/zinc/88/68/95/835886895.db2.gz WCGZFVONSYDMEF-VVLHAWIVSA-N 1 1 346.475 0.141 20 30 ECEDMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CSCC#N)C2)n1C1CC1 ZINC001266509169 835914021 /nfs/dbraw/zinc/91/40/21/835914021.db2.gz PDYOKIGXPHEAGK-LBPRGKRZSA-N 1 1 334.449 0.869 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccncc2C)C1 ZINC001266514235 835924860 /nfs/dbraw/zinc/92/48/60/835924860.db2.gz OAJGHQLTQZCQEA-CVEARBPZSA-N 1 1 342.443 0.509 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC001266513833 835924925 /nfs/dbraw/zinc/92/49/25/835924925.db2.gz HRGHDPYCEGLJCX-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnn(C)c2Cl)C1 ZINC001266520655 835933939 /nfs/dbraw/zinc/93/39/39/835933939.db2.gz QSAWJAQVBNDYTR-LLVKDONJSA-N 1 1 339.827 0.427 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C=C)C1 ZINC001266526020 835941122 /nfs/dbraw/zinc/94/11/22/835941122.db2.gz PJNRLSMDNQJZNJ-ZDUSSCGKSA-N 1 1 336.436 0.649 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CC)C2)nn1 ZINC001266537253 835955631 /nfs/dbraw/zinc/95/56/31/835955631.db2.gz HHJMHLKDODATII-UONOGXRCSA-N 1 1 348.451 0.431 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCC)CCNC(=O)c2cnc(C)[nH]2)C1=O ZINC001266556302 835984190 /nfs/dbraw/zinc/98/41/90/835984190.db2.gz JHAZIORVKSTTSS-OAHLLOKOSA-N 1 1 333.436 0.947 20 30 ECEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001266577249 836006829 /nfs/dbraw/zinc/00/68/29/836006829.db2.gz CJFAREWRNJZHPM-UHFFFAOYSA-N 1 1 330.816 0.461 20 30 ECEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001266577249 836006839 /nfs/dbraw/zinc/00/68/39/836006839.db2.gz CJFAREWRNJZHPM-UHFFFAOYSA-N 1 1 330.816 0.461 20 30 ECEDMO Cc1cc(F)cc(C(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)c1 ZINC001266611552 836045386 /nfs/dbraw/zinc/04/53/86/836045386.db2.gz NXTHHZGCRYDEQA-UHFFFAOYSA-N 1 1 332.379 0.968 20 30 ECEDMO Cc1cc(F)cc(C(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)c1 ZINC001266611552 836045400 /nfs/dbraw/zinc/04/54/00/836045400.db2.gz NXTHHZGCRYDEQA-UHFFFAOYSA-N 1 1 332.379 0.968 20 30 ECEDMO Cc1nn(C(C)C)cc1C(=O)NCC[N@H+](CC(=O)NCC#N)C1CC1 ZINC001266617426 836053076 /nfs/dbraw/zinc/05/30/76/836053076.db2.gz IYPKHROEZULXEL-UHFFFAOYSA-N 1 1 346.435 0.606 20 30 ECEDMO Cc1nn(C(C)C)cc1C(=O)NCC[N@@H+](CC(=O)NCC#N)C1CC1 ZINC001266617426 836053089 /nfs/dbraw/zinc/05/30/89/836053089.db2.gz IYPKHROEZULXEL-UHFFFAOYSA-N 1 1 346.435 0.606 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cc(Cl)no1)C1CC1 ZINC001266617811 836053530 /nfs/dbraw/zinc/05/35/30/836053530.db2.gz XZPHGRGUWUGJDC-SNVBAGLBSA-N 1 1 338.795 0.660 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cc(Cl)no1)C1CC1 ZINC001266617811 836053543 /nfs/dbraw/zinc/05/35/43/836053543.db2.gz XZPHGRGUWUGJDC-SNVBAGLBSA-N 1 1 338.795 0.660 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001266624390 836060467 /nfs/dbraw/zinc/06/04/67/836060467.db2.gz BIDIYOATIADWEF-MGPQQGTHSA-N 1 1 349.435 0.840 20 30 ECEDMO C=CCOCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001266646228 836080599 /nfs/dbraw/zinc/08/05/99/836080599.db2.gz ZADLEUNZOORUQF-HMQMGEFJSA-N 1 1 348.447 0.558 20 30 ECEDMO Cc1ocnc1C(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266656346 836091008 /nfs/dbraw/zinc/09/10/08/836091008.db2.gz SWYSSXOBIXWZIN-KBPBESRZSA-N 1 1 345.403 0.549 20 30 ECEDMO Cc1ocnc1C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266656346 836091017 /nfs/dbraw/zinc/09/10/17/836091017.db2.gz SWYSSXOBIXWZIN-KBPBESRZSA-N 1 1 345.403 0.549 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnccn2)C1 ZINC001266656512 836092125 /nfs/dbraw/zinc/09/21/25/836092125.db2.gz WUFVZIXGHINUIP-GDBMZVCRSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COCCC)C1 ZINC001266659360 836096765 /nfs/dbraw/zinc/09/67/65/836096765.db2.gz OCQBYHPLOPCLKM-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC1(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)CCOCC1 ZINC001266728344 836207023 /nfs/dbraw/zinc/20/70/23/836207023.db2.gz UGAMGHJBJAZZRO-MCIONIFRSA-N 1 1 348.451 0.881 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001266740578 836222832 /nfs/dbraw/zinc/22/28/32/836222832.db2.gz UTQITEXPSBVIRB-CYBMUJFWSA-N 1 1 331.420 0.163 20 30 ECEDMO COCC#CCN1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266750350 836240333 /nfs/dbraw/zinc/24/03/33/836240333.db2.gz VGOYNHILMWWBDD-FUHWJXTLSA-N 1 1 333.476 0.806 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CCC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001266767420 836273713 /nfs/dbraw/zinc/27/37/13/836273713.db2.gz NAJBUIGBWSVLPH-JKSUJKDBSA-N 1 1 336.480 0.294 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CCC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001266767420 836273721 /nfs/dbraw/zinc/27/37/21/836273721.db2.gz NAJBUIGBWSVLPH-JKSUJKDBSA-N 1 1 336.480 0.294 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)Cc2nc3ncccn3n2)C1 ZINC001266770577 836280385 /nfs/dbraw/zinc/28/03/85/836280385.db2.gz YWRPNGYUMFPARW-AWEZNQCLSA-N 1 1 326.404 0.518 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CCCC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC001266843000 836369528 /nfs/dbraw/zinc/36/95/28/836369528.db2.gz YUWGZHVTCWEHAH-IAGOWNOFSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)CN1CCCCS1(=O)=O ZINC001266850762 836381051 /nfs/dbraw/zinc/38/10/51/836381051.db2.gz ZURFKZPCAUYPNH-AWEZNQCLSA-N 1 1 327.450 0.016 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001266891681 836441366 /nfs/dbraw/zinc/44/13/66/836441366.db2.gz QNWMXVGCHCWFQV-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)COCc2nc(CC)no2)C1 ZINC001266898691 836450127 /nfs/dbraw/zinc/45/01/27/836450127.db2.gz XYZDYDWQKCKYED-KBPBESRZSA-N 1 1 334.420 0.999 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C[C@H]21 ZINC001266899267 836452483 /nfs/dbraw/zinc/45/24/83/836452483.db2.gz QUTYZNYIUYTMNT-FXZJEQNSSA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C[C@H]21 ZINC001266899267 836452487 /nfs/dbraw/zinc/45/24/87/836452487.db2.gz QUTYZNYIUYTMNT-FXZJEQNSSA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C[C@H]21 ZINC001266899266 836452735 /nfs/dbraw/zinc/45/27/35/836452735.db2.gz QUTYZNYIUYTMNT-FDQIELQPSA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C[C@H]21 ZINC001266899266 836452739 /nfs/dbraw/zinc/45/27/39/836452739.db2.gz QUTYZNYIUYTMNT-FDQIELQPSA-N 1 1 349.475 0.930 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C(C)(F)F ZINC001266903380 836459780 /nfs/dbraw/zinc/45/97/80/836459780.db2.gz IGYOCSZDMYAELJ-KVSVUVNWSA-N 1 1 327.375 0.462 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001266904752 836461008 /nfs/dbraw/zinc/46/10/08/836461008.db2.gz HREWQNLXADQMLQ-QFXBJFAPSA-N 1 1 347.459 0.233 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001266904752 836461011 /nfs/dbraw/zinc/46/10/11/836461011.db2.gz HREWQNLXADQMLQ-QFXBJFAPSA-N 1 1 347.459 0.233 20 30 ECEDMO C[C@@H]1CC[C@H](CCC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)O1 ZINC001266906195 836464056 /nfs/dbraw/zinc/46/40/56/836464056.db2.gz OREZFMLWUARDGB-MAKQCAJESA-N 1 1 334.420 0.020 20 30 ECEDMO C[C@@H]1CC[C@H](CCC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)O1 ZINC001266906195 836464060 /nfs/dbraw/zinc/46/40/60/836464060.db2.gz OREZFMLWUARDGB-MAKQCAJESA-N 1 1 334.420 0.020 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CCOCC2 ZINC001266906135 836464191 /nfs/dbraw/zinc/46/41/91/836464191.db2.gz WHRIUIREPZGQLE-OWYFMNJBSA-N 1 1 347.459 0.540 20 30 ECEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267108389 836790583 /nfs/dbraw/zinc/79/05/83/836790583.db2.gz OKTZADUTPIOEPS-LSDHHAIUSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267109407 836793643 /nfs/dbraw/zinc/79/36/43/836793643.db2.gz VCSMZRYYMJJBEK-HNNXBMFYSA-N 1 1 339.403 0.617 20 30 ECEDMO CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001267112122 836799081 /nfs/dbraw/zinc/79/90/81/836799081.db2.gz WPMMMXFCJZRFNG-CABCVRRESA-N 1 1 329.448 0.866 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(CC)nn2)C1 ZINC001267113127 836801530 /nfs/dbraw/zinc/80/15/30/836801530.db2.gz DSKGTKLOLPBGSF-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO COCCC[C@@H](C)C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267113450 836803400 /nfs/dbraw/zinc/80/34/00/836803400.db2.gz LKEGIGSHNBYENS-CABCVRRESA-N 1 1 338.452 0.612 20 30 ECEDMO COCCC[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267113450 836803410 /nfs/dbraw/zinc/80/34/10/836803410.db2.gz LKEGIGSHNBYENS-CABCVRRESA-N 1 1 338.452 0.612 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)c1csnn1 ZINC001267171544 836904838 /nfs/dbraw/zinc/90/48/38/836904838.db2.gz JNAMGJWWQDNHSI-GFCCVEGCSA-N 1 1 335.433 0.262 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000362453425 836917310 /nfs/dbraw/zinc/91/73/10/836917310.db2.gz ICUGDVCMGFRMPI-OAHLLOKOSA-N 1 1 345.447 0.200 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]cnc1C ZINC001267178474 836923657 /nfs/dbraw/zinc/92/36/57/836923657.db2.gz AEIKHTJUDBRPJE-HNNXBMFYSA-N 1 1 345.447 0.371 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001267181841 836933952 /nfs/dbraw/zinc/93/39/52/836933952.db2.gz OQWBKFYGKNNJRW-GJZGRUSLSA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1nc(Cl)sc1C ZINC001267206626 836987948 /nfs/dbraw/zinc/98/79/48/836987948.db2.gz IXJHHVFEJZZMNT-SECBINFHSA-N 1 1 342.852 0.904 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1nc(Cl)sc1C ZINC001267206626 836987950 /nfs/dbraw/zinc/98/79/50/836987950.db2.gz IXJHHVFEJZZMNT-SECBINFHSA-N 1 1 342.852 0.904 20 30 ECEDMO C[N@@H+](CCNC(=O)C1(C(N)=O)CC1)Cc1ccc(OCC#N)cc1 ZINC001267213709 837003055 /nfs/dbraw/zinc/00/30/55/837003055.db2.gz ACBHMHJVTBIHFN-UHFFFAOYSA-N 1 1 330.388 0.402 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](C)CCCN2CCCC2=O)c1 ZINC001267216505 837007596 /nfs/dbraw/zinc/00/75/96/837007596.db2.gz VWHDAMBOMWENEW-UHFFFAOYSA-N 1 1 328.416 0.737 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1cnn2cc(OC)ccc12 ZINC001267221433 837013728 /nfs/dbraw/zinc/01/37/28/837013728.db2.gz IHLPBGYMODOCJD-UHFFFAOYSA-N 1 1 330.388 0.654 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2cccnn21 ZINC001267220854 837014986 /nfs/dbraw/zinc/01/49/86/837014986.db2.gz JNDHHMGWVWIFKC-CYBMUJFWSA-N 1 1 327.388 0.134 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2cccnn21 ZINC001267220854 837014997 /nfs/dbraw/zinc/01/49/97/837014997.db2.gz JNDHHMGWVWIFKC-CYBMUJFWSA-N 1 1 327.388 0.134 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2c(C)nn(C)c2F)C1=O ZINC001267227534 837027455 /nfs/dbraw/zinc/02/74/55/837027455.db2.gz URQNVCRMTJXHMZ-GFCCVEGCSA-N 1 1 337.399 0.316 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2c(C)nn(C)c2F)C1=O ZINC001267227534 837027463 /nfs/dbraw/zinc/02/74/63/837027463.db2.gz URQNVCRMTJXHMZ-GFCCVEGCSA-N 1 1 337.399 0.316 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267232422 837037839 /nfs/dbraw/zinc/03/78/39/837037839.db2.gz HUNGNSCWFVGGFM-NVXWUHKLSA-N 1 1 344.459 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2cc(C)nn2C)C1=O ZINC001267237879 837045825 /nfs/dbraw/zinc/04/58/25/837045825.db2.gz BLYVXJQGWASSKZ-CQSZACIVSA-N 1 1 333.436 0.567 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCCNC(=O)[C@H](C)C#N)C(C)C ZINC001267239966 837047892 /nfs/dbraw/zinc/04/78/92/837047892.db2.gz WICHSZGOEPALOT-OLZOCXBDSA-N 1 1 339.440 0.597 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1scnc1CC ZINC001267242747 837052163 /nfs/dbraw/zinc/05/21/63/837052163.db2.gz WSQFPTBNEZOZGR-GFCCVEGCSA-N 1 1 336.461 0.895 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1scnc1CC ZINC001267242747 837052175 /nfs/dbraw/zinc/05/21/75/837052175.db2.gz WSQFPTBNEZOZGR-GFCCVEGCSA-N 1 1 336.461 0.895 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC001267248793 837066658 /nfs/dbraw/zinc/06/66/58/837066658.db2.gz GRWCKQIRXMUTIJ-UKRRQHHQSA-N 1 1 347.463 0.816 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC001267248793 837066669 /nfs/dbraw/zinc/06/66/69/837066669.db2.gz GRWCKQIRXMUTIJ-UKRRQHHQSA-N 1 1 347.463 0.816 20 30 ECEDMO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CSCC#N ZINC001267260214 837090287 /nfs/dbraw/zinc/09/02/87/837090287.db2.gz GFPCIMDSTCCBND-QWHCGFSZSA-N 1 1 326.466 0.738 20 30 ECEDMO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CSCC#N ZINC001267260214 837090297 /nfs/dbraw/zinc/09/02/97/837090297.db2.gz GFPCIMDSTCCBND-QWHCGFSZSA-N 1 1 326.466 0.738 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC001267260790 837091496 /nfs/dbraw/zinc/09/14/96/837091496.db2.gz NGQAATIRESDKDF-ZIAGYGMSSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC001267260790 837091499 /nfs/dbraw/zinc/09/14/99/837091499.db2.gz NGQAATIRESDKDF-ZIAGYGMSSA-N 1 1 333.436 0.613 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001267261597 837093614 /nfs/dbraw/zinc/09/36/14/837093614.db2.gz QMHLWESVWDQPJA-HUUCEWRRSA-N 1 1 330.432 0.666 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001267261597 837093621 /nfs/dbraw/zinc/09/36/21/837093621.db2.gz QMHLWESVWDQPJA-HUUCEWRRSA-N 1 1 330.432 0.666 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)COCC1CCCC1 ZINC001267269116 837107627 /nfs/dbraw/zinc/10/76/27/837107627.db2.gz KQGGQAOKBCGXBV-DOTOQJQBSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)COCC1CCCC1 ZINC001267269116 837107632 /nfs/dbraw/zinc/10/76/32/837107632.db2.gz KQGGQAOKBCGXBV-DOTOQJQBSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001267276778 837120529 /nfs/dbraw/zinc/12/05/29/837120529.db2.gz VMEIUEYZVYOMCN-CQSZACIVSA-N 1 1 330.432 0.531 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001267276778 837120535 /nfs/dbraw/zinc/12/05/35/837120535.db2.gz VMEIUEYZVYOMCN-CQSZACIVSA-N 1 1 330.432 0.531 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2CCNC(=O)C2CC2)c1 ZINC001267277002 837121934 /nfs/dbraw/zinc/12/19/34/837121934.db2.gz XKWJELCXSZZTOI-QGZVFWFLSA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2CCNC(=O)C2CC2)c1 ZINC001267277002 837121944 /nfs/dbraw/zinc/12/19/44/837121944.db2.gz XKWJELCXSZZTOI-QGZVFWFLSA-N 1 1 340.427 0.783 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(OC)n1 ZINC001267279449 837125307 /nfs/dbraw/zinc/12/53/07/837125307.db2.gz FPHIXVKQSJJHIY-UONOGXRCSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(OC)n1 ZINC001267279449 837125313 /nfs/dbraw/zinc/12/53/13/837125313.db2.gz FPHIXVKQSJJHIY-UONOGXRCSA-N 1 1 344.415 0.422 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)Cc2nonc2C)C1=O ZINC001267279323 837125392 /nfs/dbraw/zinc/12/53/92/837125392.db2.gz BRLSODXFOGUYDP-UKRRQHHQSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)Cc2nonc2C)C1=O ZINC001267279323 837125401 /nfs/dbraw/zinc/12/54/01/837125401.db2.gz BRLSODXFOGUYDP-UKRRQHHQSA-N 1 1 347.419 0.288 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1c(C)noc1C ZINC001267281615 837129048 /nfs/dbraw/zinc/12/90/48/837129048.db2.gz KONLJUAVNKZNJX-AWEZNQCLSA-N 1 1 332.404 0.164 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(C)noc1C ZINC001267281615 837129054 /nfs/dbraw/zinc/12/90/54/837129054.db2.gz KONLJUAVNKZNJX-AWEZNQCLSA-N 1 1 332.404 0.164 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001267284068 837133146 /nfs/dbraw/zinc/13/31/46/837133146.db2.gz WQJWKSSSIMLUSS-HIFRSBDPSA-N 1 1 333.436 0.406 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001267284068 837133150 /nfs/dbraw/zinc/13/31/50/837133150.db2.gz WQJWKSSSIMLUSS-HIFRSBDPSA-N 1 1 333.436 0.406 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001267289201 837140245 /nfs/dbraw/zinc/14/02/45/837140245.db2.gz YNHJVEOVJWYHMU-UONOGXRCSA-N 1 1 347.419 0.444 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001267289201 837140250 /nfs/dbraw/zinc/14/02/50/837140250.db2.gz YNHJVEOVJWYHMU-UONOGXRCSA-N 1 1 347.419 0.444 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CC2CCOCC2)C1 ZINC001267290293 837140847 /nfs/dbraw/zinc/14/08/47/837140847.db2.gz NBIBYJUCRASRCD-GDBMZVCRSA-N 1 1 335.448 0.379 20 30 ECEDMO CC(C)CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CSCC#N)C1 ZINC001267289511 837141130 /nfs/dbraw/zinc/14/11/30/837141130.db2.gz RDKSNOQNEAWPMI-CYBMUJFWSA-N 1 1 326.466 0.453 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CC2CCOCC2)C1 ZINC001267290294 837141340 /nfs/dbraw/zinc/14/13/40/837141340.db2.gz NBIBYJUCRASRCD-GOEBONIOSA-N 1 1 335.448 0.379 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001267292027 837144577 /nfs/dbraw/zinc/14/45/77/837144577.db2.gz QCSDERGESTXWAJ-CYBMUJFWSA-N 1 1 334.420 0.216 20 30 ECEDMO C#CCCOc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC)C2)cc1 ZINC001267293156 837146638 /nfs/dbraw/zinc/14/66/38/837146638.db2.gz MVWBBFRKUWFRMQ-OAHLLOKOSA-N 1 1 343.427 0.886 20 30 ECEDMO C=C(C)CCC(=O)N(C)C1CC([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001279236354 837150798 /nfs/dbraw/zinc/15/07/98/837150798.db2.gz PSXJVAZLHIBMMA-UHFFFAOYSA-N 1 1 349.435 0.793 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2[nH]nnc2C)C1 ZINC001267299620 837163247 /nfs/dbraw/zinc/16/32/47/837163247.db2.gz ZKMGWGZVCZMJAH-AWEZNQCLSA-N 1 1 348.451 0.589 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ncc(C)cc2C)C1 ZINC001267299458 837164175 /nfs/dbraw/zinc/16/41/75/837164175.db2.gz YIWXVFZHMDXPHB-CVEARBPZSA-N 1 1 342.443 0.888 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001267303961 837170535 /nfs/dbraw/zinc/17/05/35/837170535.db2.gz UIZZZMAYLFDVBE-HUUCEWRRSA-N 1 1 331.416 0.879 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)CCOC)C1 ZINC001267303852 837170820 /nfs/dbraw/zinc/17/08/20/837170820.db2.gz CAGYZJHXHMGFJI-LSDHHAIUSA-N 1 1 337.464 0.625 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001267303978 837171153 /nfs/dbraw/zinc/17/11/53/837171153.db2.gz CLGTXSFAGZBXDR-LSDHHAIUSA-N 1 1 331.416 0.646 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)CCOC)C1 ZINC001267303850 837171201 /nfs/dbraw/zinc/17/12/01/837171201.db2.gz CAGYZJHXHMGFJI-GJZGRUSLSA-N 1 1 337.464 0.625 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cccn2C(C)C)C1 ZINC001267305059 837173951 /nfs/dbraw/zinc/17/39/51/837173951.db2.gz GJPBYOAHPIYPKI-OAHLLOKOSA-N 1 1 330.432 0.870 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001267305978 837176715 /nfs/dbraw/zinc/17/67/15/837176715.db2.gz UTIMASWILNGDDD-AWEZNQCLSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnc(CC)s2)C1 ZINC001267308900 837183201 /nfs/dbraw/zinc/18/32/01/837183201.db2.gz HOGCTCDUIZHIHS-QWHCGFSZSA-N 1 1 348.472 0.895 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](OC)c2ccccc2)C1 ZINC001267308101 837183644 /nfs/dbraw/zinc/18/36/44/837183644.db2.gz ZLXDVJCRSKNCJI-MAUKXSAKSA-N 1 1 343.427 0.562 20 30 ECEDMO Cc1cc(C2(C(=O)NCC[N@H+](CC(=O)NCC#N)C3CC3)CC2)on1 ZINC001267331950 837212181 /nfs/dbraw/zinc/21/21/81/837212181.db2.gz XLQYMQDERJSPPG-UHFFFAOYSA-N 1 1 345.403 0.235 20 30 ECEDMO Cc1cc(C2(C(=O)NCC[N@@H+](CC(=O)NCC#N)C3CC3)CC2)on1 ZINC001267331950 837212192 /nfs/dbraw/zinc/21/21/92/837212192.db2.gz XLQYMQDERJSPPG-UHFFFAOYSA-N 1 1 345.403 0.235 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)CNC(=O)c1ccccc1)C1CC1 ZINC001267336596 837220608 /nfs/dbraw/zinc/22/06/08/837220608.db2.gz RULZNMUIZLHQSA-UHFFFAOYSA-N 1 1 343.427 0.647 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1cnc(C)[nH]1)c1ccccc1 ZINC001267352261 837239384 /nfs/dbraw/zinc/23/93/84/837239384.db2.gz ZJGNAYDVFPKILW-HNNXBMFYSA-N 1 1 339.399 0.528 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)C[C@@H]1CCOC1)c1ccccc1 ZINC001267356746 837245233 /nfs/dbraw/zinc/24/52/33/837245233.db2.gz ICVJRXJWPFOHFU-DOTOQJQBSA-N 1 1 343.427 0.610 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]([NH2+]CC(=O)NC)c2ccccc2)nn1 ZINC001267378193 837294751 /nfs/dbraw/zinc/29/47/51/837294751.db2.gz YNOPEYJDXSRLRE-AWEZNQCLSA-N 1 1 342.403 0.271 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc(C)cn2)C1 ZINC001267578631 837835920 /nfs/dbraw/zinc/83/59/20/837835920.db2.gz OFZSKOHTDRDXHQ-CVEARBPZSA-N 1 1 347.463 0.663 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001267581095 837844739 /nfs/dbraw/zinc/84/47/39/837844739.db2.gz IWCVGEQEGYBOEN-CABCVRRESA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001267585072 837859439 /nfs/dbraw/zinc/85/94/39/837859439.db2.gz NUVVVOASUWYSCW-CQSZACIVSA-N 1 1 334.420 0.377 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001267585812 837860465 /nfs/dbraw/zinc/86/04/65/837860465.db2.gz CWILPDVZWVCZFT-MRXNPFEDSA-N 1 1 336.480 0.507 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001267586469 837864653 /nfs/dbraw/zinc/86/46/53/837864653.db2.gz SFDLHRIJLWVJMZ-GFCCVEGCSA-N 1 1 339.417 0.344 20 30 ECEDMO C#CCCCCC(=O)N1CCC(C[N@H+](C)Cc2nc(=O)n(C)[nH]2)CC1 ZINC001267598553 837907544 /nfs/dbraw/zinc/90/75/44/837907544.db2.gz IGQRRIQPEGGUHW-UHFFFAOYSA-N 1 1 347.463 0.972 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2csc(C)n2)C1 ZINC001267600042 837915427 /nfs/dbraw/zinc/91/54/27/837915427.db2.gz BJKBJRYKTOYSDK-CQSZACIVSA-N 1 1 348.472 0.572 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)COC)C1 ZINC001267615581 837997069 /nfs/dbraw/zinc/99/70/69/837997069.db2.gz DATDMYODYAIWQN-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)COC)C1 ZINC001267615581 837997075 /nfs/dbraw/zinc/99/70/75/837997075.db2.gz DATDMYODYAIWQN-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2ncc3n2CCCC3)CC1 ZINC001267617586 838040035 /nfs/dbraw/zinc/04/00/35/838040035.db2.gz DPVJEFPWUAMWOG-UHFFFAOYSA-N 1 1 329.448 0.542 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001267623890 838068893 /nfs/dbraw/zinc/06/88/93/838068893.db2.gz KCTJEJKCUGQRQW-KBPBESRZSA-N 1 1 338.452 0.256 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001267623890 838068907 /nfs/dbraw/zinc/06/89/07/838068907.db2.gz KCTJEJKCUGQRQW-KBPBESRZSA-N 1 1 338.452 0.256 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)nc2)C1 ZINC001267625071 838073128 /nfs/dbraw/zinc/07/31/28/838073128.db2.gz GJYLRCOULLDJIP-OAHLLOKOSA-N 1 1 328.416 0.533 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267625688 838073413 /nfs/dbraw/zinc/07/34/13/838073413.db2.gz BBRZJHWMZJKLMX-HOTGVXAUSA-N 1 1 334.464 0.189 20 30 ECEDMO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H](NC(=O)C#CC3CC3)C2)C1=O ZINC001267626375 838077071 /nfs/dbraw/zinc/07/70/71/838077071.db2.gz SIXQEBILESCDBB-AWEZNQCLSA-N 1 1 346.431 0.311 20 30 ECEDMO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@H](NC(=O)C#CC3CC3)C2)C1=O ZINC001267626375 838077081 /nfs/dbraw/zinc/07/70/81/838077081.db2.gz SIXQEBILESCDBB-AWEZNQCLSA-N 1 1 346.431 0.311 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC001267629956 838088212 /nfs/dbraw/zinc/08/82/12/838088212.db2.gz RWVRVZNFJOHCSE-GJZGRUSLSA-N 1 1 330.432 0.666 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC001267629956 838088223 /nfs/dbraw/zinc/08/82/23/838088223.db2.gz RWVRVZNFJOHCSE-GJZGRUSLSA-N 1 1 330.432 0.666 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc(CC)o2)C1 ZINC001267646169 838132628 /nfs/dbraw/zinc/13/26/28/838132628.db2.gz MSPDGGUSJGQYCQ-AWEZNQCLSA-N 1 1 334.420 0.952 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2nnc(CC)o2)C1 ZINC001267646169 838132634 /nfs/dbraw/zinc/13/26/34/838132634.db2.gz MSPDGGUSJGQYCQ-AWEZNQCLSA-N 1 1 334.420 0.952 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC2CC2)C1 ZINC001267647290 838134410 /nfs/dbraw/zinc/13/44/10/838134410.db2.gz WAFNNIVYQYRUFP-GOEBONIOSA-N 1 1 335.448 0.331 20 30 ECEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267666295 838191074 /nfs/dbraw/zinc/19/10/74/838191074.db2.gz SDISLDJMOFGLKE-ZDUSSCGKSA-N 1 1 327.392 0.637 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCc2ccncc2)C1 ZINC001267688576 838253072 /nfs/dbraw/zinc/25/30/72/838253072.db2.gz OFAPEEPQISDWED-CQSZACIVSA-N 1 1 330.432 0.753 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001267689346 838258110 /nfs/dbraw/zinc/25/81/10/838258110.db2.gz DFXRQWVIYPAAKV-KBPBESRZSA-N 1 1 333.436 0.423 20 30 ECEDMO N#CCSCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCN1CCCC1=O ZINC001267703156 838301444 /nfs/dbraw/zinc/30/14/44/838301444.db2.gz SHLSYYHGBYREJS-KBPBESRZSA-N 1 1 336.461 0.541 20 30 ECEDMO N#CCSCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCN1CCCC1=O ZINC001267703156 838301452 /nfs/dbraw/zinc/30/14/52/838301452.db2.gz SHLSYYHGBYREJS-KBPBESRZSA-N 1 1 336.461 0.541 20 30 ECEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001267708148 838315459 /nfs/dbraw/zinc/31/54/59/838315459.db2.gz JXMYJPOMDHGWRJ-ZIAGYGMSSA-N 1 1 329.466 0.425 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)c1cnn(C)c1 ZINC001267710917 838325203 /nfs/dbraw/zinc/32/52/03/838325203.db2.gz DBDXOIWFGVKCMZ-HRCADAONSA-N 1 1 334.420 0.595 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)c1cnn(C)c1 ZINC001267710917 838325211 /nfs/dbraw/zinc/32/52/11/838325211.db2.gz DBDXOIWFGVKCMZ-HRCADAONSA-N 1 1 334.420 0.595 20 30 ECEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001267711363 838327985 /nfs/dbraw/zinc/32/79/85/838327985.db2.gz TVVRBVBJTXHWJW-STQMWFEESA-N 1 1 342.407 0.559 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@@H]2OCC)CC1 ZINC001267719141 838368953 /nfs/dbraw/zinc/36/89/53/838368953.db2.gz XVBVLNBWQSHXSJ-CVEARBPZSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001267719178 838368962 /nfs/dbraw/zinc/36/89/62/838368962.db2.gz YURWSGBYNNEHMM-ZDUSSCGKSA-N 1 1 331.420 0.332 20 30 ECEDMO Cn1ncc(CCC(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC001267729077 838411584 /nfs/dbraw/zinc/41/15/84/838411584.db2.gz VIBYEBZLLTYGNI-SFHVURJKSA-N 1 1 337.427 0.990 20 30 ECEDMO Cn1ncc(CCC(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001267729077 838411589 /nfs/dbraw/zinc/41/15/89/838411589.db2.gz VIBYEBZLLTYGNI-SFHVURJKSA-N 1 1 337.427 0.990 20 30 ECEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001267740068 838439812 /nfs/dbraw/zinc/43/98/12/838439812.db2.gz SAEAJHICCXICLL-UHFFFAOYSA-N 1 1 336.480 0.555 20 30 ECEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001267741615 838442947 /nfs/dbraw/zinc/44/29/47/838442947.db2.gz GGAKQQVMVVRLQY-ZIAGYGMSSA-N 1 1 331.420 0.919 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)COc3cc(C)on3)C2)C1=O ZINC001267744744 838448926 /nfs/dbraw/zinc/44/89/26/838448926.db2.gz YCLAOUSJWUORRO-KGLIPLIRSA-N 1 1 348.403 0.339 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)COc3cc(C)on3)C2)C1=O ZINC001267744744 838448930 /nfs/dbraw/zinc/44/89/30/838448930.db2.gz YCLAOUSJWUORRO-KGLIPLIRSA-N 1 1 348.403 0.339 20 30 ECEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001267747809 838456122 /nfs/dbraw/zinc/45/61/22/838456122.db2.gz DZLWRUCDGDQPPB-CYBMUJFWSA-N 1 1 336.436 0.864 20 30 ECEDMO C#CC[N@H+](C)CC1CCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC001267752549 838474657 /nfs/dbraw/zinc/47/46/57/838474657.db2.gz NITLTGAJLKIPFB-UHFFFAOYSA-N 1 1 332.404 0.542 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnn2C)C1 ZINC001267758522 838483387 /nfs/dbraw/zinc/48/33/87/838483387.db2.gz KRSGDJJPHVHGGR-HNNXBMFYSA-N 1 1 345.447 0.767 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnn2C)C1 ZINC001267758522 838483388 /nfs/dbraw/zinc/48/33/88/838483388.db2.gz KRSGDJJPHVHGGR-HNNXBMFYSA-N 1 1 345.447 0.767 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C3CCC3)nn2)C1 ZINC001267762155 838489560 /nfs/dbraw/zinc/48/95/60/838489560.db2.gz DNFINTQVUGCOBM-HNNXBMFYSA-N 1 1 331.420 0.799 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cn(C3CCC3)nn2)C1 ZINC001267762155 838489563 /nfs/dbraw/zinc/48/95/63/838489563.db2.gz DNFINTQVUGCOBM-HNNXBMFYSA-N 1 1 331.420 0.799 20 30 ECEDMO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267761995 838490920 /nfs/dbraw/zinc/49/09/20/838490920.db2.gz MRGKOERPKHOOCA-OAHLLOKOSA-N 1 1 343.493 0.508 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)COCC2CCCC2)C1 ZINC001267767244 838503478 /nfs/dbraw/zinc/50/34/78/838503478.db2.gz NQUBRSZWJOLHAN-NVXWUHKLSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)COCC2CCCC2)C1 ZINC001267767244 838503479 /nfs/dbraw/zinc/50/34/79/838503479.db2.gz NQUBRSZWJOLHAN-NVXWUHKLSA-N 1 1 349.475 0.864 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nccn3cc(C)nc23)C1 ZINC001267775408 838538444 /nfs/dbraw/zinc/53/84/44/838538444.db2.gz REOMQSRLHWCKAQ-OAHLLOKOSA-N 1 1 341.415 0.834 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2nccn3cc(C)nc23)C1 ZINC001267775408 838538450 /nfs/dbraw/zinc/53/84/50/838538450.db2.gz REOMQSRLHWCKAQ-OAHLLOKOSA-N 1 1 341.415 0.834 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC001267778077 838544934 /nfs/dbraw/zinc/54/49/34/838544934.db2.gz WQJDYYWZFQZAIE-ZWKOTPCHSA-N 1 1 330.428 0.750 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001267782906 838558961 /nfs/dbraw/zinc/55/89/61/838558961.db2.gz CBDQTOOMLNZQAB-UONOGXRCSA-N 1 1 336.436 0.413 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001267782906 838558964 /nfs/dbraw/zinc/55/89/64/838558964.db2.gz CBDQTOOMLNZQAB-UONOGXRCSA-N 1 1 336.436 0.413 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001267784344 838559490 /nfs/dbraw/zinc/55/94/90/838559490.db2.gz OWEKIIDPTCYDRO-QAPCUYQASA-N 1 1 337.464 0.859 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001267784344 838559493 /nfs/dbraw/zinc/55/94/93/838559493.db2.gz OWEKIIDPTCYDRO-QAPCUYQASA-N 1 1 337.464 0.859 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2cncs2)C1 ZINC001267786517 838566225 /nfs/dbraw/zinc/56/62/25/838566225.db2.gz NGABPJSOPDOUFJ-CYBMUJFWSA-N 1 1 336.461 0.911 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2cncs2)C1 ZINC001267786517 838566230 /nfs/dbraw/zinc/56/62/30/838566230.db2.gz NGABPJSOPDOUFJ-CYBMUJFWSA-N 1 1 336.461 0.911 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001267786827 838566369 /nfs/dbraw/zinc/56/63/69/838566369.db2.gz QHRYHLAFVRIQGW-GOEBONIOSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3cc(C)on3)C2)nn1 ZINC001105194994 838751936 /nfs/dbraw/zinc/75/19/36/838751936.db2.gz TWLWYPDRWHCEQZ-UHFFFAOYSA-N 1 1 330.392 0.866 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCc2ccn(C)n2)C1 ZINC001267937610 838820932 /nfs/dbraw/zinc/82/09/32/838820932.db2.gz OPHWXLOAASFBSB-GDBMZVCRSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCc2ccn(C)n2)C1 ZINC001267937610 838820945 /nfs/dbraw/zinc/82/09/45/838820945.db2.gz OPHWXLOAASFBSB-GDBMZVCRSA-N 1 1 345.447 0.071 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)COc2c(C)nn(C)c2C)C1 ZINC001267937744 838821032 /nfs/dbraw/zinc/82/10/32/838821032.db2.gz VHSYEDZCPNZDIX-MRXNPFEDSA-N 1 1 348.447 0.646 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)COc2c(C)nn(C)c2C)C1 ZINC001267937744 838821044 /nfs/dbraw/zinc/82/10/44/838821044.db2.gz VHSYEDZCPNZDIX-MRXNPFEDSA-N 1 1 348.447 0.646 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)NCCCC)C1 ZINC001267942570 838830826 /nfs/dbraw/zinc/83/08/26/838830826.db2.gz IWPOPBJAKUPULV-SJORKVTESA-N 1 1 348.491 0.581 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)NCCCC)C1 ZINC001267942570 838830846 /nfs/dbraw/zinc/83/08/46/838830846.db2.gz IWPOPBJAKUPULV-SJORKVTESA-N 1 1 348.491 0.581 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCCC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001267943994 838833978 /nfs/dbraw/zinc/83/39/78/838833978.db2.gz IVTBPLHSGCYZNB-KRWDZBQOSA-N 1 1 335.452 0.861 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001268024037 839011139 /nfs/dbraw/zinc/01/11/39/839011139.db2.gz VVEOFNACDOFKGM-HIFRSBDPSA-N 1 1 344.419 0.910 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001268024038 839011367 /nfs/dbraw/zinc/01/13/67/839011367.db2.gz VVEOFNACDOFKGM-UKRRQHHQSA-N 1 1 344.419 0.910 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)CCN2CCOCC2)C1 ZINC001268025762 839024819 /nfs/dbraw/zinc/02/48/19/839024819.db2.gz KOOATGZVPHRPHJ-IAGOWNOFSA-N 1 1 339.480 0.880 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001268031045 839056326 /nfs/dbraw/zinc/05/63/26/839056326.db2.gz YTQRKBUMIKPLLQ-INIZCTEOSA-N 1 1 332.448 0.903 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@H](CNC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001268031045 839056337 /nfs/dbraw/zinc/05/63/37/839056337.db2.gz YTQRKBUMIKPLLQ-INIZCTEOSA-N 1 1 332.448 0.903 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)C1=COCCO1)CC2 ZINC001268041616 839181768 /nfs/dbraw/zinc/18/17/68/839181768.db2.gz BQMXCIZUGBJFCZ-UHFFFAOYSA-N 1 1 335.404 0.101 20 30 ECEDMO N#Cc1cccnc1N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000101543713 219133498 /nfs/dbraw/zinc/13/34/98/219133498.db2.gz SFVFRKIGMUBBAB-UHFFFAOYSA-N 1 1 328.376 0.017 20 30 ECEDMO Cc1nc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1C#N ZINC000178150160 232094852 /nfs/dbraw/zinc/09/48/52/232094852.db2.gz SGSRUAKMFYYXDI-MRXNPFEDSA-N 1 1 341.415 0.640 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH+]1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000066883644 215090343 /nfs/dbraw/zinc/09/03/43/215090343.db2.gz YQZRFWOGCMGSAL-UHFFFAOYSA-N 1 1 343.493 0.933 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccnnc3C)C2)C1=O ZINC000971869267 735281522 /nfs/dbraw/zinc/28/15/22/735281522.db2.gz KWNUMEYQYYNDOA-GDBMZVCRSA-N 1 1 343.431 0.718 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)(N(C)C)CC2)C[N@H+]1C1CC1 ZINC000331376462 291068428 /nfs/dbraw/zinc/06/84/28/291068428.db2.gz GZCSJJAVMBUELR-UONOGXRCSA-N 1 1 347.463 0.174 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000130061778 223117795 /nfs/dbraw/zinc/11/77/95/223117795.db2.gz ABOQYIYBZBJXAI-MRXNPFEDSA-N 1 1 344.415 0.850 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)c1 ZINC001041661892 781944492 /nfs/dbraw/zinc/94/44/92/781944492.db2.gz YUZLYAXXYAPHTC-IBGZPJMESA-N 1 1 340.427 0.689 20 30 ECEDMO C[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000132484926 223335574 /nfs/dbraw/zinc/33/55/74/223335574.db2.gz UTJCYKSXDHITES-CQSZACIVSA-N 1 1 344.415 0.373 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(C#N)n1C ZINC000448869194 211262970 /nfs/dbraw/zinc/26/29/70/211262970.db2.gz QHBIHHRJLBUZLO-OAHLLOKOSA-N 1 1 331.420 0.569 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCO)C2CCOCC2)c1 ZINC000444771308 211097839 /nfs/dbraw/zinc/09/78/39/211097839.db2.gz OUXLILQFVIUSTC-UHFFFAOYSA-N 1 1 338.429 0.805 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+](CCO)C2CCOCC2)c1 ZINC000444771308 211097840 /nfs/dbraw/zinc/09/78/40/211097840.db2.gz OUXLILQFVIUSTC-UHFFFAOYSA-N 1 1 338.429 0.805 20 30 ECEDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000444174967 211056197 /nfs/dbraw/zinc/05/61/97/211056197.db2.gz YJUIGWZHRGMOSQ-AWEZNQCLSA-N 1 1 341.408 0.837 20 30 ECEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000444174967 211056200 /nfs/dbraw/zinc/05/62/00/211056200.db2.gz YJUIGWZHRGMOSQ-AWEZNQCLSA-N 1 1 341.408 0.837 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267585188 251171550 /nfs/dbraw/zinc/17/15/50/251171550.db2.gz HJNAKIXJRUJIMJ-JKSUJKDBSA-N 1 1 325.453 0.200 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000330049900 285019388 /nfs/dbraw/zinc/01/93/88/285019388.db2.gz JXRNZPJULZPGAJ-CYBMUJFWSA-N 1 1 349.435 0.163 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@H+](C)C1 ZINC000411750980 208139864 /nfs/dbraw/zinc/13/98/64/208139864.db2.gz BFZAZDRBEIIYMR-ZDUSSCGKSA-N 1 1 344.371 0.060 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000411750980 208139867 /nfs/dbraw/zinc/13/98/67/208139867.db2.gz BFZAZDRBEIIYMR-ZDUSSCGKSA-N 1 1 344.371 0.060 20 30 ECEDMO CC(C)(C(N)=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000430697985 210397064 /nfs/dbraw/zinc/39/70/64/210397064.db2.gz UGYCMGZQYCONSD-UHFFFAOYSA-N 1 1 349.460 0.830 20 30 ECEDMO CN(CCC#N)C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000283263669 254556520 /nfs/dbraw/zinc/55/65/20/254556520.db2.gz MJBMJFBBLXQVMS-UHFFFAOYSA-N 1 1 344.415 0.872 20 30 ECEDMO C[N@@H+]1CCN(c2ccnc(C#N)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496872999 255138090 /nfs/dbraw/zinc/13/80/90/255138090.db2.gz GMWRDZYVGWEHLF-GFCCVEGCSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2ccnc(C#N)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496872999 255138091 /nfs/dbraw/zinc/13/80/91/255138091.db2.gz GMWRDZYVGWEHLF-GFCCVEGCSA-N 1 1 332.408 0.993 20 30 ECEDMO N#Cc1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000419278864 209048294 /nfs/dbraw/zinc/04/82/94/209048294.db2.gz HUEJDVGUZJHOLQ-QGZVFWFLSA-N 1 1 349.394 0.743 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001041695632 782014194 /nfs/dbraw/zinc/01/41/94/782014194.db2.gz DCALZEKITLOJEH-GJYPPUQNSA-N 1 1 347.459 0.734 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC001041697742 782015969 /nfs/dbraw/zinc/01/59/69/782015969.db2.gz MORFOAUGAJQZBN-RYRKJORJSA-N 1 1 345.447 0.794 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC[C@@H]3CO)CC2)o1 ZINC000123026089 222201679 /nfs/dbraw/zinc/20/16/79/222201679.db2.gz UTQDKSQQQRYWEH-CQSZACIVSA-N 1 1 347.419 0.350 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000088776886 263145169 /nfs/dbraw/zinc/14/51/69/263145169.db2.gz WUBFJFCKBVXUKR-UHFFFAOYSA-N 1 1 338.795 0.845 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000184342208 263158715 /nfs/dbraw/zinc/15/87/15/263158715.db2.gz QRURJHVHXYLFSI-UHFFFAOYSA-N 1 1 331.825 0.804 20 30 ECEDMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2ccc(F)cc2C#N)n1C ZINC000269684974 263197088 /nfs/dbraw/zinc/19/70/88/263197088.db2.gz UPBGTSVZZPBXIP-UHFFFAOYSA-N 1 1 337.380 0.975 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(O)(C(N)=O)CC3)C2=O)cc1 ZINC000284234660 264188496 /nfs/dbraw/zinc/18/84/96/264188496.db2.gz KKVDXNDKTYESOG-OAHLLOKOSA-N 1 1 342.399 0.366 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000284371576 264205368 /nfs/dbraw/zinc/20/53/68/264205368.db2.gz RIIPIKWSDVRRPU-HOTGVXAUSA-N 1 1 326.400 0.917 20 30 ECEDMO CC[C@H](C)[N@@H+](CCO)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000347469883 270006696 /nfs/dbraw/zinc/00/66/96/270006696.db2.gz DWLRCOLKKSIBBP-ZDUSSCGKSA-N 1 1 349.435 0.596 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373397620 265618051 /nfs/dbraw/zinc/61/80/51/265618051.db2.gz BOUOOHHGIVLJCI-LLVKDONJSA-N 1 1 331.380 0.187 20 30 ECEDMO CC[N@H+]1CC[C@@H]2OCCN(CC(=O)NCc3ccc(C#N)cc3)[C@H]2C1 ZINC000339389457 266154435 /nfs/dbraw/zinc/15/44/35/266154435.db2.gz QVNALHAJSOSPHM-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO CC[C@@H](C)[N@@H+](CCO)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000347469881 266355877 /nfs/dbraw/zinc/35/58/77/266355877.db2.gz DWLRCOLKKSIBBP-CYBMUJFWSA-N 1 1 349.435 0.596 20 30 ECEDMO C[C@@H]1[C@H](C)N(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC[N@H+]1C ZINC000332308533 267107206 /nfs/dbraw/zinc/10/72/06/267107206.db2.gz MBUBFZBCXJDYKO-OLZOCXBDSA-N 1 1 326.400 0.998 20 30 ECEDMO C[C@@H]1[C@H](C)N(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC[N@@H+]1C ZINC000332308533 267107208 /nfs/dbraw/zinc/10/72/08/267107208.db2.gz MBUBFZBCXJDYKO-OLZOCXBDSA-N 1 1 326.400 0.998 20 30 ECEDMO C[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CC[NH+](C)CC1 ZINC000376924808 267142849 /nfs/dbraw/zinc/14/28/49/267142849.db2.gz JJYFTCWYQILQDG-CYBMUJFWSA-N 1 1 339.403 0.713 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)cc1 ZINC000289458594 268177274 /nfs/dbraw/zinc/17/72/74/268177274.db2.gz PWXXBDNNNYQEOZ-KBPBESRZSA-N 1 1 343.387 0.589 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000346634498 268178557 /nfs/dbraw/zinc/17/85/57/268178557.db2.gz FRLWEKWJYKAFTL-ABFRBSLYSA-N 1 1 329.400 0.884 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000528520337 268301305 /nfs/dbraw/zinc/30/13/05/268301305.db2.gz FDQWYQIOCFRAGM-QGZVFWFLSA-N 1 1 341.415 0.839 20 30 ECEDMO N#Cc1ccsc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340050459 268306576 /nfs/dbraw/zinc/30/65/76/268306576.db2.gz CSQYHKMFMCRRIT-LLVKDONJSA-N 1 1 349.416 0.014 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000377229829 268336239 /nfs/dbraw/zinc/33/62/39/268336239.db2.gz WFAVNZPZLWJPIO-CQSZACIVSA-N 1 1 347.423 0.046 20 30 ECEDMO C[C@@H]1CCC[N@H+]1C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000154911175 274292350 /nfs/dbraw/zinc/29/23/50/274292350.db2.gz VTJYNCKYFBFOOA-GFCCVEGCSA-N 1 1 331.420 0.409 20 30 ECEDMO CC(C)(C)N1C[C@@H](NC(=O)NCC[NH+]2CCSCC2)CC1=O ZINC000330243257 277156903 /nfs/dbraw/zinc/15/69/03/277156903.db2.gz JRWNVDXZOIPXJB-LBPRGKRZSA-N 1 1 328.482 0.938 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041720784 782051566 /nfs/dbraw/zinc/05/15/66/782051566.db2.gz VUSWAVSZZWQWQY-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO CC[NH+]1CCN([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC000329821980 279366484 /nfs/dbraw/zinc/36/64/84/279366484.db2.gz ASOXNUUSUDVGEK-HZPDHXFCSA-N 1 1 346.479 0.893 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000374414745 289237926 /nfs/dbraw/zinc/23/79/26/289237926.db2.gz JEPGWYXSXTVMDQ-CYBMUJFWSA-N 1 1 332.470 0.101 20 30 ECEDMO C[C@H](CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)C[NH+]1CCOCC1 ZINC000329093370 289395197 /nfs/dbraw/zinc/39/51/97/289395197.db2.gz AOIWOMVHYUVATE-BFYDXBDKSA-N 1 1 341.452 0.796 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@H](C)C1 ZINC000329559840 290087581 /nfs/dbraw/zinc/08/75/81/290087581.db2.gz RBPLKZOWLXEMOR-JYYAWHABSA-N 1 1 341.452 0.625 20 30 ECEDMO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329639502 298821101 /nfs/dbraw/zinc/82/11/01/298821101.db2.gz ZHEKFYFLVCZVFB-KLHDSHLOSA-N 1 1 341.452 0.889 20 30 ECEDMO CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000073659842 436088262 /nfs/dbraw/zinc/08/82/62/436088262.db2.gz DEMLYOIOBFKDGO-HUUCEWRRSA-N 1 1 338.429 0.807 20 30 ECEDMO CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000073659842 436088264 /nfs/dbraw/zinc/08/82/64/436088264.db2.gz DEMLYOIOBFKDGO-HUUCEWRRSA-N 1 1 338.429 0.807 20 30 ECEDMO COC(=O)CN(CC#N)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000073848256 436093566 /nfs/dbraw/zinc/09/35/66/436093566.db2.gz JMGPIBFAMURZMV-UHFFFAOYSA-N 1 1 344.415 0.573 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000074288281 436116596 /nfs/dbraw/zinc/11/65/96/436116596.db2.gz DZHXCPDUDKPPDA-GXTWGEPZSA-N 1 1 330.454 0.041 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000074288281 436116602 /nfs/dbraw/zinc/11/66/02/436116602.db2.gz DZHXCPDUDKPPDA-GXTWGEPZSA-N 1 1 330.454 0.041 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000091229005 436446132 /nfs/dbraw/zinc/44/61/32/436446132.db2.gz JFVCHDGSTHCHBW-ZDUSSCGKSA-N 1 1 332.408 0.875 20 30 ECEDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000091540048 436451982 /nfs/dbraw/zinc/45/19/82/436451982.db2.gz KQBCKMCKZJIUGS-HUUCEWRRSA-N 1 1 338.452 0.420 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCc1cccnc1 ZINC000089942685 436420997 /nfs/dbraw/zinc/42/09/97/436420997.db2.gz HWJYQDHDHUEKOJ-UHFFFAOYSA-N 1 1 327.392 0.439 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943178 436422127 /nfs/dbraw/zinc/42/21/27/436422127.db2.gz PORKOITZXVWUTR-VIFPVBQESA-N 1 1 333.396 0.105 20 30 ECEDMO CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000050993813 436482262 /nfs/dbraw/zinc/48/22/62/436482262.db2.gz ITJJLOZUNZTPJL-HNNXBMFYSA-N 1 1 333.436 0.881 20 30 ECEDMO COCC[N@@H+](CC(=O)N(C)C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000051920406 436499240 /nfs/dbraw/zinc/49/92/40/436499240.db2.gz ZWDUOJQQJRRTKD-HNNXBMFYSA-N 1 1 335.404 0.335 20 30 ECEDMO COCC[N@H+](CC(=O)N(C)C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000051920406 436499244 /nfs/dbraw/zinc/49/92/44/436499244.db2.gz ZWDUOJQQJRRTKD-HNNXBMFYSA-N 1 1 335.404 0.335 20 30 ECEDMO CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C[C@H](C)C#N ZINC000103469588 436555237 /nfs/dbraw/zinc/55/52/37/436555237.db2.gz DANHDQAXXKDCFJ-GFCCVEGCSA-N 1 1 332.408 0.305 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994048 436563079 /nfs/dbraw/zinc/56/30/79/436563079.db2.gz QFJAQDSJLJZIOT-INIZCTEOSA-N 1 1 335.448 0.758 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)CC1 ZINC000104866365 436566349 /nfs/dbraw/zinc/56/63/49/436566349.db2.gz HYCJIARESNDDGE-UHFFFAOYSA-N 1 1 341.415 0.349 20 30 ECEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CN1CCOCC1 ZINC000058397831 436625605 /nfs/dbraw/zinc/62/56/05/436625605.db2.gz AARCIHJGWUYNNS-SFHVURJKSA-N 1 1 333.432 0.700 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000109849998 436626795 /nfs/dbraw/zinc/62/67/95/436626795.db2.gz FXMXMSQLYLKBEX-ZDUSSCGKSA-N 1 1 337.445 0.832 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000112920028 436634789 /nfs/dbraw/zinc/63/47/89/436634789.db2.gz MCOVICNXQFKPNM-UHFFFAOYSA-N 1 1 340.471 0.582 20 30 ECEDMO COC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000058855164 436629221 /nfs/dbraw/zinc/62/92/21/436629221.db2.gz YKRCPPAMLPCPSZ-UHFFFAOYSA-N 1 1 330.388 0.949 20 30 ECEDMO N#CC1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000060893843 436634973 /nfs/dbraw/zinc/63/49/73/436634973.db2.gz QGGLDVXLLJNXGC-UHFFFAOYSA-N 1 1 330.388 0.800 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2ccn3ncc(C#N)c23)C1 ZINC000551981062 302378257 /nfs/dbraw/zinc/37/82/57/302378257.db2.gz HELTYXCHJPCYJK-HNNXBMFYSA-N 1 1 344.419 0.480 20 30 ECEDMO COC(=O)C1(O)CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000271539424 436693743 /nfs/dbraw/zinc/69/37/43/436693743.db2.gz YRWKGVAOPWNTMG-CQSZACIVSA-N 1 1 334.372 0.298 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CCc2cnccn2)CC1 ZINC000271626998 436693760 /nfs/dbraw/zinc/69/37/60/436693760.db2.gz GACCNNGCVIQPQA-KRWDZBQOSA-N 1 1 344.463 0.643 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCc2cnccn2)CC1 ZINC000271626998 436693765 /nfs/dbraw/zinc/69/37/65/436693765.db2.gz GACCNNGCVIQPQA-KRWDZBQOSA-N 1 1 344.463 0.643 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195520885 436694233 /nfs/dbraw/zinc/69/42/33/436694233.db2.gz OFPOOUGBMIJFNL-LBPRGKRZSA-N 1 1 332.408 0.416 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195520885 436694235 /nfs/dbraw/zinc/69/42/35/436694235.db2.gz OFPOOUGBMIJFNL-LBPRGKRZSA-N 1 1 332.408 0.416 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000272025021 436702267 /nfs/dbraw/zinc/70/22/67/436702267.db2.gz NQIFTQQRQYRSDI-UHFFFAOYSA-N 1 1 340.471 0.806 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COC[C@@H]1CCCO1 ZINC000119403777 436667191 /nfs/dbraw/zinc/66/71/91/436667191.db2.gz IWNMZYLLBNBEDY-STQMWFEESA-N 1 1 337.424 0.284 20 30 ECEDMO COc1ccc(CNC(=[NH2+])NC[C@@H]2CN3CCN2CC3)cc1OC ZINC000269507006 436667612 /nfs/dbraw/zinc/66/76/12/436667612.db2.gz ZISSFACQHGEZNS-CQSZACIVSA-N 1 1 333.436 0.108 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000272891392 436726486 /nfs/dbraw/zinc/72/64/86/436726486.db2.gz WWZIDVIGBBSUEN-GFCCVEGCSA-N 1 1 328.438 0.728 20 30 ECEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000249132610 436818026 /nfs/dbraw/zinc/81/80/26/436818026.db2.gz DHOUPDWIOQYOSE-KBPBESRZSA-N 1 1 344.419 0.678 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC#Cc2ccccc2)CC1 ZINC000069397942 436771310 /nfs/dbraw/zinc/77/13/10/436771310.db2.gz DETBMDHLGSLTNG-UHFFFAOYSA-N 1 1 342.443 0.890 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000252802109 436839784 /nfs/dbraw/zinc/83/97/84/436839784.db2.gz RGQSUSGXMVPAJP-KCQAQPDRSA-N 1 1 348.447 0.862 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](O)[C@@H](C)C3)CC2)o1 ZINC000249583865 436824954 /nfs/dbraw/zinc/82/49/54/436824954.db2.gz SEELODXXYZNVKJ-SWLSCSKDSA-N 1 1 347.419 0.206 20 30 ECEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+](CC)CCO ZINC000274447965 436827411 /nfs/dbraw/zinc/82/74/11/436827411.db2.gz MLLUFRZMUAIELP-UHFFFAOYSA-N 1 1 348.403 0.326 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162750063 436913491 /nfs/dbraw/zinc/91/34/91/436913491.db2.gz BCNJUISYDBKAPU-MRXNPFEDSA-N 1 1 334.464 0.425 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000293887445 436915811 /nfs/dbraw/zinc/91/58/11/436915811.db2.gz DBMMHRHQIQHCAT-INIZCTEOSA-N 1 1 341.411 0.577 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](CNC(=O)OC(C)(C)C)OC ZINC000293941169 436921778 /nfs/dbraw/zinc/92/17/78/436921778.db2.gz IYYIITPWSJBWPI-CYBMUJFWSA-N 1 1 327.425 0.597 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(C(=O)OC)c1 ZINC000293437395 436878363 /nfs/dbraw/zinc/87/83/63/436878363.db2.gz RHOHFSRSDQMUNF-UHFFFAOYSA-N 1 1 345.399 0.791 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N1CC[C@H](Oc2ccccn2)C1 ZINC000261932489 436895487 /nfs/dbraw/zinc/89/54/87/436895487.db2.gz BSOGTOUAYOXTDN-HOTGVXAUSA-N 1 1 344.463 0.110 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)N1CC[NH+](C)CC1 ZINC000293664000 436897565 /nfs/dbraw/zinc/89/75/65/436897565.db2.gz HXUFODIXTMFKMO-HOCLYGCPSA-N 1 1 343.431 0.569 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280527785 436902176 /nfs/dbraw/zinc/90/21/76/436902176.db2.gz ORJLEQMBVNJXKN-MLGOLLRUSA-N 1 1 325.409 0.657 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280527785 436902181 /nfs/dbraw/zinc/90/21/81/436902181.db2.gz ORJLEQMBVNJXKN-MLGOLLRUSA-N 1 1 325.409 0.657 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162556847 436906963 /nfs/dbraw/zinc/90/69/63/436906963.db2.gz OEJYHTNZQPGBJG-INIZCTEOSA-N 1 1 336.480 0.649 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162605084 436911207 /nfs/dbraw/zinc/91/12/07/436911207.db2.gz KYBWHVGTYNYEDU-QAPCUYQASA-N 1 1 349.479 0.279 20 30 ECEDMO C#CCO[C@@H](C)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000295402282 436967837 /nfs/dbraw/zinc/96/78/37/436967837.db2.gz USACFCVGPPSOFA-HNNXBMFYSA-N 1 1 343.427 0.980 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2snc(C)c2C#N)CC1 ZINC000294106226 436935075 /nfs/dbraw/zinc/93/50/75/436935075.db2.gz CLAIIISKPGLMAL-UHFFFAOYSA-N 1 1 336.421 0.655 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000294497223 436960582 /nfs/dbraw/zinc/96/05/82/436960582.db2.gz NOYAHYNDTNHTAO-HNNXBMFYSA-N 1 1 343.427 0.729 20 30 ECEDMO CCN1CCN(CCNC(=[NH2+])NCc2ccc(OC)c(OC)c2)CC1 ZINC000264097057 437017489 /nfs/dbraw/zinc/01/74/89/437017489.db2.gz MYXOCYXXPFYBDL-UHFFFAOYSA-N 1 1 349.479 0.746 20 30 ECEDMO [NH2+]=C(NCCCN1CCN(c2ccccc2)CC1)N1CCOCC1 ZINC000264132033 437017519 /nfs/dbraw/zinc/01/75/19/437017519.db2.gz YGOKTBGSLARAKZ-UHFFFAOYSA-N 1 1 331.464 0.846 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000298057913 437023115 /nfs/dbraw/zinc/02/31/15/437023115.db2.gz DCYNEEPDQIYNHJ-OAHLLOKOSA-N 1 1 335.429 0.749 20 30 ECEDMO C#Cc1cc(F)c(NC(=O)C(=O)NCC[N@@H+](CC)CCO)c(F)c1 ZINC000283304435 437027266 /nfs/dbraw/zinc/02/72/66/437027266.db2.gz PGMVYODLMWHJLQ-UHFFFAOYSA-N 1 1 339.342 0.315 20 30 ECEDMO CN(CCC#N)C(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298114907 437028298 /nfs/dbraw/zinc/02/82/98/437028298.db2.gz OOHQPLVALSXSDI-UHFFFAOYSA-N 1 1 346.391 0.874 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000296441370 436991720 /nfs/dbraw/zinc/99/17/20/436991720.db2.gz WBYXYSJWJNYCMS-CRAIPNDOSA-N 1 1 348.399 0.809 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000282220307 437011793 /nfs/dbraw/zinc/01/17/93/437011793.db2.gz AOKFECFOHLAVTK-LBPRGKRZSA-N 1 1 326.426 0.021 20 30 ECEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000284106849 437040144 /nfs/dbraw/zinc/04/01/44/437040144.db2.gz UJCUKMSODTVQQT-INIZCTEOSA-N 1 1 328.416 0.975 20 30 ECEDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000276027310 437045647 /nfs/dbraw/zinc/04/56/47/437045647.db2.gz QAVYHAXNPPFNBJ-GFCCVEGCSA-N 1 1 346.435 0.858 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000284410101 437053550 /nfs/dbraw/zinc/05/35/50/437053550.db2.gz XCJQFMXASOIDJW-LSDHHAIUSA-N 1 1 334.420 0.795 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000264672553 437062301 /nfs/dbraw/zinc/06/23/01/437062301.db2.gz BFYCRANGWVTSGC-CYBMUJFWSA-N 1 1 349.822 0.512 20 30 ECEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000264795253 437085381 /nfs/dbraw/zinc/08/53/81/437085381.db2.gz SDNSRIXZDZNTLU-DKASORFFSA-N 1 1 337.424 0.542 20 30 ECEDMO C[C@](C#N)(NC(=O)CN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000304713441 437159917 /nfs/dbraw/zinc/15/99/17/437159917.db2.gz MOLUJZHMHCDFMR-LZLYRXPVSA-N 1 1 334.464 0.716 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000305071159 437160200 /nfs/dbraw/zinc/16/02/00/437160200.db2.gz TVBQGVFZDMMEQC-IAGOWNOFSA-N 1 1 345.443 0.945 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H](C)O)C2)CC1 ZINC000305781458 437164845 /nfs/dbraw/zinc/16/48/45/437164845.db2.gz UQNNRIUXWFVEKL-ULQDDVLXSA-N 1 1 336.480 0.772 20 30 ECEDMO C[C@H](CO)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000305789147 437165990 /nfs/dbraw/zinc/16/59/90/437165990.db2.gz STWMOQBWAKEOIJ-KGLIPLIRSA-N 1 1 336.461 0.770 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)N1CCN(c2ncccn2)CC1 ZINC000331836085 437166214 /nfs/dbraw/zinc/16/62/14/437166214.db2.gz BWIACVXAEUDOFA-ZNMIVQPWSA-N 1 1 328.420 0.796 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC[N@H+]1C ZINC000328811805 437266396 /nfs/dbraw/zinc/26/63/96/437266396.db2.gz ORLJSTCRUZYGFJ-JHJVBQTASA-N 1 1 332.470 0.397 20 30 ECEDMO CN(C)c1nc(N2CCN(C(=O)c3cc(C#N)cn3C)CC2)cc[nH+]1 ZINC000332430814 437223398 /nfs/dbraw/zinc/22/33/98/437223398.db2.gz WHLPVKHMRUHEIG-UHFFFAOYSA-N 1 1 339.403 0.715 20 30 ECEDMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 ZINC000179553719 437269745 /nfs/dbraw/zinc/26/97/45/437269745.db2.gz XPSYLVMPBDNLGX-CYBMUJFWSA-N 1 1 332.408 0.875 20 30 ECEDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)[C@@H](C)C1 ZINC000287843221 437242445 /nfs/dbraw/zinc/24/24/45/437242445.db2.gz MBKPIWANJKRIPA-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)[C@@H](C)C1 ZINC000287843221 437242450 /nfs/dbraw/zinc/24/24/50/437242450.db2.gz MBKPIWANJKRIPA-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO Cc1cn2c(n1)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)CCC2 ZINC000328640296 437244541 /nfs/dbraw/zinc/24/45/41/437244541.db2.gz CLUVDSSCPYTABE-LSDHHAIUSA-N 1 1 334.468 0.818 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CCN(C2CC2)C(=O)C1)[NH+]1CCOCC1 ZINC000328700305 437254244 /nfs/dbraw/zinc/25/42/44/437254244.db2.gz IPOJZCWDXZDNAL-OAHLLOKOSA-N 1 1 338.452 0.564 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000336922100 437310498 /nfs/dbraw/zinc/31/04/98/437310498.db2.gz RFSBMLVIBPRSKA-GASCZTMLSA-N 1 1 346.497 0.946 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000278041301 437274730 /nfs/dbraw/zinc/27/47/30/437274730.db2.gz CLDAINKLBDWCOC-YESZJQIVSA-N 1 1 340.464 0.921 20 30 ECEDMO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NC2CCN(c3[nH+]ccn3C)CC2)O1 ZINC000329268690 437343682 /nfs/dbraw/zinc/34/36/82/437343682.db2.gz DTAHYHUIYYWVCL-UONOGXRCSA-N 1 1 349.435 0.981 20 30 ECEDMO C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329363908 437357987 /nfs/dbraw/zinc/35/79/87/437357987.db2.gz ZTOKHJOJTZRZPQ-LLVKDONJSA-N 1 1 330.454 0.509 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCN(C(C)C)C(=O)C1)[NH+]1CCOCC1 ZINC000329376783 437359363 /nfs/dbraw/zinc/35/93/63/437359363.db2.gz LOGKVOXKNGXJEI-HNNXBMFYSA-N 1 1 340.468 0.810 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000337057846 437324075 /nfs/dbraw/zinc/32/40/75/437324075.db2.gz DNAZDAXFBGVAEV-GXTWGEPZSA-N 1 1 328.438 0.062 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000337062006 437325486 /nfs/dbraw/zinc/32/54/86/437325486.db2.gz HLRIZSIFAAIZEU-ZFWWWQNUSA-N 1 1 328.482 0.986 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000267585183 437326892 /nfs/dbraw/zinc/32/68/92/437326892.db2.gz HJNAKIXJRUJIMJ-CVEARBPZSA-N 1 1 325.453 0.200 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000337160919 437337599 /nfs/dbraw/zinc/33/75/99/437337599.db2.gz UBNQUMNPHPFULD-ZIAGYGMSSA-N 1 1 344.481 0.508 20 30 ECEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C[C@H](O)CN1CCOCC1 ZINC000337178010 437337945 /nfs/dbraw/zinc/33/79/45/437337945.db2.gz KJWXSHOSRKQRSC-INIZCTEOSA-N 1 1 325.453 0.712 20 30 ECEDMO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3COC[C@H]3n3ccnn3)C2)CC1 ZINC000329237964 437339679 /nfs/dbraw/zinc/33/96/79/437339679.db2.gz PJAIMTIXXYFKTL-OWCLPIDISA-N 1 1 348.451 0.796 20 30 ECEDMO Cc1nsc(N2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)c1C#N ZINC000289415690 437407727 /nfs/dbraw/zinc/40/77/27/437407727.db2.gz HJHAJBVJGCWLPF-AWEZNQCLSA-N 1 1 335.477 0.900 20 30 ECEDMO C[C@H](CNC(=O)N[C@H](C)c1nnc2n1CCC2)C[NH+]1CCOCC1 ZINC000329810778 437416424 /nfs/dbraw/zinc/41/64/24/437416424.db2.gz CNFWAYRCNUDIFY-CHWSQXEVSA-N 1 1 336.440 0.757 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CN2CCOCC2=O)C[C@H](C)O1 ZINC000329885388 437425919 /nfs/dbraw/zinc/42/59/19/437425919.db2.gz UOQRTEUDMMAPSA-BETUJISGSA-N 1 1 327.425 0.690 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CN2CCOCC2=O)C[C@H](C)O1 ZINC000329885388 437425922 /nfs/dbraw/zinc/42/59/22/437425922.db2.gz UOQRTEUDMMAPSA-BETUJISGSA-N 1 1 327.425 0.690 20 30 ECEDMO C=CCn1c(-c2cccn2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000337871773 437383617 /nfs/dbraw/zinc/38/36/17/437383617.db2.gz VPHPMZNPQZCNHU-CQSZACIVSA-N 1 1 328.420 0.990 20 30 ECEDMO C=CCn1c(-c2cccn2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000337871773 437383622 /nfs/dbraw/zinc/38/36/22/437383622.db2.gz VPHPMZNPQZCNHU-CQSZACIVSA-N 1 1 328.420 0.990 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)[C@H](C)C1 ZINC000329576903 437384763 /nfs/dbraw/zinc/38/47/63/437384763.db2.gz VVVGGQYYMJILAF-RDBSUJKOSA-N 1 1 338.452 0.298 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183785813 437389743 /nfs/dbraw/zinc/38/97/43/437389743.db2.gz WKWMYVSLQPOQJU-CQSZACIVSA-N 1 1 331.420 0.994 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183785813 437389748 /nfs/dbraw/zinc/38/97/48/437389748.db2.gz WKWMYVSLQPOQJU-CQSZACIVSA-N 1 1 331.420 0.994 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000329613105 437390606 /nfs/dbraw/zinc/39/06/06/437390606.db2.gz OSXNKAJKSZHWQR-UHXUPSOCSA-N 1 1 329.466 0.891 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000329613105 437390611 /nfs/dbraw/zinc/39/06/11/437390611.db2.gz OSXNKAJKSZHWQR-UHXUPSOCSA-N 1 1 329.466 0.891 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000329676295 437400303 /nfs/dbraw/zinc/40/03/03/437400303.db2.gz PLZRNWTUZQGHAD-HUUCEWRRSA-N 1 1 334.420 0.800 20 30 ECEDMO C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1ncn(C)n1 ZINC000330209339 437469959 /nfs/dbraw/zinc/46/99/59/437469959.db2.gz BQJWFRFPDVLCLV-STQMWFEESA-N 1 1 336.440 0.975 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CC[N@@H+](C)C2CC2)CC1 ZINC000186734715 437482574 /nfs/dbraw/zinc/48/25/74/437482574.db2.gz KXTJXHUHWORZSB-QGZVFWFLSA-N 1 1 335.496 0.705 20 30 ECEDMO C[C@@H]1OCC[C@]12CN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CCO2 ZINC000329969614 437439869 /nfs/dbraw/zinc/43/98/69/437439869.db2.gz XLNVBQOYEUYSMP-LZWOXQAQSA-N 1 1 326.441 0.026 20 30 ECEDMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCc3c(ncn(C)c3=O)C2)C1 ZINC000330065006 437451031 /nfs/dbraw/zinc/45/10/31/437451031.db2.gz RQACDGDIZJTEOP-ZDUSSCGKSA-N 1 1 333.436 0.784 20 30 ECEDMO C=C[C@H](CO)NC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000290070754 437461103 /nfs/dbraw/zinc/46/11/03/437461103.db2.gz BNQKSSVQEWFUCU-HIFRSBDPSA-N 1 1 332.404 0.805 20 30 ECEDMO C=C[C@H](CO)NC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000290070754 437461106 /nfs/dbraw/zinc/46/11/06/437461106.db2.gz BNQKSSVQEWFUCU-HIFRSBDPSA-N 1 1 332.404 0.805 20 30 ECEDMO CS(=O)(=O)N1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330182923 437463940 /nfs/dbraw/zinc/46/39/40/437463940.db2.gz HPHLSEPKFWLEOC-GFCCVEGCSA-N 1 1 341.437 0.079 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccn(CCC#N)n1 ZINC000330195669 437467681 /nfs/dbraw/zinc/46/76/81/437467681.db2.gz PHCXFTSSEWXPAC-AWEZNQCLSA-N 1 1 346.435 1.514 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)N2CCOC3(CCOCC3)C2)n1C ZINC000330195065 437468368 /nfs/dbraw/zinc/46/83/68/437468368.db2.gz ZJKXPILVCMVHPM-UHFFFAOYSA-N 1 1 337.424 0.782 20 30 ECEDMO C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)c1ncnn1C ZINC000330208121 437469128 /nfs/dbraw/zinc/46/91/28/437469128.db2.gz AUWQFQLHSHPALS-OLZOCXBDSA-N 1 1 336.440 0.975 20 30 ECEDMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccco1 ZINC000339835478 437504941 /nfs/dbraw/zinc/50/49/41/437504941.db2.gz ABKGEFJAYZAQPS-GFCCVEGCSA-N 1 1 327.344 0.904 20 30 ECEDMO CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(CC(=O)NC)CC2)C1 ZINC000330427849 437509305 /nfs/dbraw/zinc/50/93/05/437509305.db2.gz UCVQLJZHGPYHEV-AWEZNQCLSA-N 1 1 339.484 0.432 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000354051383 437513703 /nfs/dbraw/zinc/51/37/03/437513703.db2.gz FWLWUUPNAZMESE-HZPDHXFCSA-N 1 1 335.448 0.852 20 30 ECEDMO CN(C)S(=O)(=O)c1cc(C(=O)NCC[NH+]2CCSCC2)co1 ZINC000330463387 437520770 /nfs/dbraw/zinc/52/07/70/437520770.db2.gz UOQHPAYRYUGNJI-UHFFFAOYSA-N 1 1 347.462 0.883 20 30 ECEDMO C=C[C@H](CO)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000290461162 437489925 /nfs/dbraw/zinc/48/99/25/437489925.db2.gz CJHPJGNCEWOLDR-GFCCVEGCSA-N 1 1 327.425 0.639 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000340000356 437543875 /nfs/dbraw/zinc/54/38/75/437543875.db2.gz LJUFSCVDAMWPMW-INIZCTEOSA-N 1 1 338.496 0.799 20 30 ECEDMO CC(C)[N@@H+](C)CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000354148434 437544526 /nfs/dbraw/zinc/54/45/26/437544526.db2.gz AVJOJDPNSVLZKP-UHFFFAOYSA-N 1 1 338.433 0.293 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000360224984 437558311 /nfs/dbraw/zinc/55/83/11/437558311.db2.gz LYEFSVPMIXYSRA-MRXNPFEDSA-N 1 1 341.375 0.327 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000331021938 437672550 /nfs/dbraw/zinc/67/25/50/437672550.db2.gz KWVXFWDJMQJNDM-YJBOKZPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000343737078 437642733 /nfs/dbraw/zinc/64/27/33/437642733.db2.gz HYKURBXDVORABX-ZFWWWQNUSA-N 1 1 334.464 0.494 20 30 ECEDMO CNC(=O)NC(=O)CC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000330896757 437644312 /nfs/dbraw/zinc/64/43/12/437644312.db2.gz SVKQZGOBVIBLLB-UHFFFAOYSA-N 1 1 325.800 0.907 20 30 ECEDMO COc1c(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(C)nn1C ZINC000330903896 437645669 /nfs/dbraw/zinc/64/56/69/437645669.db2.gz UBJSYLCQNCKPIJ-NEPJUHHUSA-N 1 1 339.440 0.538 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC2(CC1)[C@@H](O)C[C@@H]2OCC ZINC000360941909 437653151 /nfs/dbraw/zinc/65/31/51/437653151.db2.gz OBJDJXZBLDHPJJ-STQMWFEESA-N 1 1 325.409 0.250 20 30 ECEDMO COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292060481 437654445 /nfs/dbraw/zinc/65/44/45/437654445.db2.gz BYACYQUQNCJSFQ-IMJJTQAJSA-N 1 1 335.404 0.819 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000355066349 437666254 /nfs/dbraw/zinc/66/62/54/437666254.db2.gz OBADYFANFMJXOA-KGLIPLIRSA-N 1 1 347.419 0.901 20 30 ECEDMO CO[C@@H]1C[NH+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1OC ZINC000331104296 437690307 /nfs/dbraw/zinc/69/03/07/437690307.db2.gz HVDXTNFNZAYCHW-REWJHTLYSA-N 1 1 327.425 0.941 20 30 ECEDMO COC(=O)[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1C ZINC000331073514 437682945 /nfs/dbraw/zinc/68/29/45/437682945.db2.gz UXLCGMOLBZKVDD-DTWKUNHWSA-N 1 1 339.314 0.710 20 30 ECEDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1C ZINC000331073514 437682951 /nfs/dbraw/zinc/68/29/51/437682951.db2.gz UXLCGMOLBZKVDD-DTWKUNHWSA-N 1 1 339.314 0.710 20 30 ECEDMO C[C@H](CNC(=O)NCC(=O)NCC#N)[N@@H+]1CCc2sccc2C1 ZINC000343896915 437685560 /nfs/dbraw/zinc/68/55/60/437685560.db2.gz MPJZPVQGOLRYED-LLVKDONJSA-N 1 1 335.433 0.434 20 30 ECEDMO C[C@H](CNC(=O)NCC(=O)NCC#N)[N@H+]1CCc2sccc2C1 ZINC000343896915 437685564 /nfs/dbraw/zinc/68/55/64/437685564.db2.gz MPJZPVQGOLRYED-LLVKDONJSA-N 1 1 335.433 0.434 20 30 ECEDMO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000331154771 437701184 /nfs/dbraw/zinc/70/11/84/437701184.db2.gz KCLPMWRYZXAFMS-ZBFHGGJFSA-N 1 1 348.447 0.936 20 30 ECEDMO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000331154771 437701187 /nfs/dbraw/zinc/70/11/87/437701187.db2.gz KCLPMWRYZXAFMS-ZBFHGGJFSA-N 1 1 348.447 0.936 20 30 ECEDMO C[C@@H](CNC(=O)NCCn1cnc(C#N)n1)[N@@H+](C)Cc1ccccc1 ZINC000344829072 437764966 /nfs/dbraw/zinc/76/49/66/437764966.db2.gz QPFVMHRBELIYSJ-AWEZNQCLSA-N 1 1 341.419 0.969 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(=O)n(C)c1=O ZINC000292807243 437723957 /nfs/dbraw/zinc/72/39/57/437723957.db2.gz OHSDUMPWAOKHEL-CQSZACIVSA-N 1 1 341.371 0.004 20 30 ECEDMO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)NC(=O)NC1CC1 ZINC000344067690 437727083 /nfs/dbraw/zinc/72/70/83/437727083.db2.gz IXHJCFRFAVAVSK-UHFFFAOYSA-N 1 1 330.388 0.995 20 30 ECEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)NC(=O)NC1CC1 ZINC000344067690 437727088 /nfs/dbraw/zinc/72/70/88/437727088.db2.gz IXHJCFRFAVAVSK-UHFFFAOYSA-N 1 1 330.388 0.995 20 30 ECEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000331276537 437732920 /nfs/dbraw/zinc/73/29/20/437732920.db2.gz FNTRJPATPWFXFZ-ZIAGYGMSSA-N 1 1 346.497 0.918 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCCC#N)CC2)CC1 ZINC000345820517 437800333 /nfs/dbraw/zinc/80/03/33/437800333.db2.gz UBMBDGUDTOHZDQ-UHFFFAOYSA-N 1 1 335.452 0.876 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000371550235 437951062 /nfs/dbraw/zinc/95/10/62/437951062.db2.gz GHZJCAIJBMNAHF-CYBMUJFWSA-N 1 1 337.855 0.719 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000371550235 437951067 /nfs/dbraw/zinc/95/10/67/437951067.db2.gz GHZJCAIJBMNAHF-CYBMUJFWSA-N 1 1 337.855 0.719 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000342202050 437976813 /nfs/dbraw/zinc/97/68/13/437976813.db2.gz GNXBHGJDVOXTRT-LLVKDONJSA-N 1 1 325.390 0.342 20 30 ECEDMO CC(C)C[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000342400711 438013977 /nfs/dbraw/zinc/01/39/77/438013977.db2.gz NHRBRSKQFSATLR-KGLIPLIRSA-N 1 1 334.424 0.574 20 30 ECEDMO CN1CCN(C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C[C@@H]1C#N ZINC000372140512 438037315 /nfs/dbraw/zinc/03/73/15/438037315.db2.gz OZPOBXPEDJUXBY-AWEZNQCLSA-N 1 1 330.436 0.391 20 30 ECEDMO CN1CCN(C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C[C@@H]1C#N ZINC000372140512 438037318 /nfs/dbraw/zinc/03/73/18/438037318.db2.gz OZPOBXPEDJUXBY-AWEZNQCLSA-N 1 1 330.436 0.391 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000425885713 438046585 /nfs/dbraw/zinc/04/65/85/438046585.db2.gz PQQYKUTVMZSBSV-JYJNAYRXSA-N 1 1 337.464 0.930 20 30 ECEDMO CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366338894 438056908 /nfs/dbraw/zinc/05/69/08/438056908.db2.gz IFXALFWBSHUOPI-LBPRGKRZSA-N 1 1 347.423 0.657 20 30 ECEDMO Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000366636711 438107315 /nfs/dbraw/zinc/10/73/15/438107315.db2.gz TVDZQDPYXRVUDH-OAHLLOKOSA-N 1 1 330.388 0.838 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000430389018 438110563 /nfs/dbraw/zinc/11/05/63/438110563.db2.gz ZBLKREAYKONVOJ-HZPDHXFCSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000357996975 438121909 /nfs/dbraw/zinc/12/19/09/438121909.db2.gz SVKQPQOMELDWAY-HUUCEWRRSA-N 1 1 325.453 0.932 20 30 ECEDMO N#CCNC(=O)CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000348827821 438105818 /nfs/dbraw/zinc/10/58/18/438105818.db2.gz PEYFFEUFDSXODO-UHFFFAOYSA-N 1 1 345.403 0.323 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000358087216 438147199 /nfs/dbraw/zinc/14/71/99/438147199.db2.gz DNKYTHBMKMTSKQ-SFHVURJKSA-N 1 1 344.415 0.609 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000367195345 438180106 /nfs/dbraw/zinc/18/01/06/438180106.db2.gz HXHSBQXDNOZEDM-QGZVFWFLSA-N 1 1 340.427 0.455 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358211495 438183304 /nfs/dbraw/zinc/18/33/04/438183304.db2.gz QXQOABAYCBJJQW-KBPBESRZSA-N 1 1 329.466 0.576 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000374170043 438192794 /nfs/dbraw/zinc/19/27/94/438192794.db2.gz GEBROTANLVHRDV-MRXNPFEDSA-N 1 1 341.408 0.290 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000374170043 438192798 /nfs/dbraw/zinc/19/27/98/438192798.db2.gz GEBROTANLVHRDV-MRXNPFEDSA-N 1 1 341.408 0.290 20 30 ECEDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCn1cnc(C#N)n1 ZINC000367551409 438222851 /nfs/dbraw/zinc/22/28/51/438222851.db2.gz JKVJLIJRJYMFBO-ZDUSSCGKSA-N 1 1 342.407 0.783 20 30 ECEDMO C[C@H]1C[C@@H](CNC(=O)NCC(=O)NCC#N)C[N@H+]1Cc1ccccc1 ZINC000367738550 438242614 /nfs/dbraw/zinc/24/26/14/438242614.db2.gz KLAHVSHPWCGAPZ-HOCLYGCPSA-N 1 1 343.431 0.836 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000375506124 438255504 /nfs/dbraw/zinc/25/55/04/438255504.db2.gz CNEHDSMYYNPCSZ-ZDUSSCGKSA-N 1 1 330.388 0.412 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000375743632 438261389 /nfs/dbraw/zinc/26/13/89/438261389.db2.gz LHUWNFSUQLAACD-SJORKVTESA-N 1 1 345.447 0.911 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CC23CCN(C(=O)C(C)(C)C#N)CC3)CC1 ZINC000375851288 438264507 /nfs/dbraw/zinc/26/45/07/438264507.db2.gz UIKCHLAWNHCYIB-CQSZACIVSA-N 1 1 332.448 0.939 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000376349335 438280022 /nfs/dbraw/zinc/28/00/22/438280022.db2.gz INAYZIBZIZAXIE-ZDUSSCGKSA-N 1 1 349.460 0.899 20 30 ECEDMO Cc1cccc(NC2CCN(C(=O)NCC(=O)NCC#N)CC2)[nH+]1 ZINC000377076793 438302476 /nfs/dbraw/zinc/30/24/76/438302476.db2.gz GAIATGDBVAORAL-UHFFFAOYSA-N 1 1 330.392 0.616 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000377297238 438307386 /nfs/dbraw/zinc/30/73/86/438307386.db2.gz JDYUDXUGMTVCMW-HNNXBMFYSA-N 1 1 331.420 0.587 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(c2nccc(OC)n2)CC1 ZINC000377489018 438311661 /nfs/dbraw/zinc/31/16/61/438311661.db2.gz MTGAIPITIFWHSS-UHFFFAOYSA-N 1 1 346.435 0.759 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCN(c2nccc(OC)n2)CC1 ZINC000377489018 438311665 /nfs/dbraw/zinc/31/16/65/438311665.db2.gz MTGAIPITIFWHSS-UHFFFAOYSA-N 1 1 346.435 0.759 20 30 ECEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420163274 438390266 /nfs/dbraw/zinc/39/02/66/438390266.db2.gz FLXULNJROVLULL-UHFFFAOYSA-N 1 1 341.358 0.920 20 30 ECEDMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000359054407 438349084 /nfs/dbraw/zinc/34/90/84/438349084.db2.gz AZNHLEXPHWMCHH-UHFFFAOYSA-N 1 1 348.451 1.295 20 30 ECEDMO C=C(C)CC[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000351854498 438350661 /nfs/dbraw/zinc/35/06/61/438350661.db2.gz GTVCVJNXBKWEHA-GJZGRUSLSA-N 1 1 331.482 0.924 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCNC[C@H]2CCC)CC1 ZINC000419691856 438366624 /nfs/dbraw/zinc/36/66/24/438366624.db2.gz APHFFHCTCQEXKB-MRXNPFEDSA-N 1 1 336.480 0.744 20 30 ECEDMO CS(=O)(=O)C1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000393697219 438444943 /nfs/dbraw/zinc/44/49/43/438444943.db2.gz NGTWUNNEXVMYFE-UHFFFAOYSA-N 1 1 342.442 0.499 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000420312552 438396082 /nfs/dbraw/zinc/39/60/82/438396082.db2.gz HZESGVPDAYWACO-JYJNAYRXSA-N 1 1 334.464 0.354 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000420312552 438396089 /nfs/dbraw/zinc/39/60/89/438396089.db2.gz HZESGVPDAYWACO-JYJNAYRXSA-N 1 1 334.464 0.354 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359354334 438417609 /nfs/dbraw/zinc/41/76/09/438417609.db2.gz TXFFLJBLOCUGTQ-JKSUJKDBSA-N 1 1 349.479 0.243 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000407955290 438472762 /nfs/dbraw/zinc/47/27/62/438472762.db2.gz HQOQEYQOQHOOPM-CHWSQXEVSA-N 1 1 332.470 0.100 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000407955290 438472768 /nfs/dbraw/zinc/47/27/68/438472768.db2.gz HQOQEYQOQHOOPM-CHWSQXEVSA-N 1 1 332.470 0.100 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2COC[C@H]2O)c(OC)c1 ZINC000352791445 438477693 /nfs/dbraw/zinc/47/76/93/438477693.db2.gz IBAQGLJORRHMEF-OWCLPIDISA-N 1 1 337.416 0.855 20 30 ECEDMO COC(=O)[C@]12C[N@@H+](CC(=O)NC3(C#N)CCCCC3)C[C@H]1COCC2 ZINC000369556625 438489856 /nfs/dbraw/zinc/48/98/56/438489856.db2.gz NXANIPGJSMJDAR-KBXCAEBGSA-N 1 1 349.431 0.841 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2n[nH]cc2C(=O)OCC)CC1 ZINC000443067173 438638373 /nfs/dbraw/zinc/63/83/73/438638373.db2.gz DSZQAAPOIZYDJU-UHFFFAOYSA-N 1 1 342.421 0.515 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[N@H+]1CCCC[C@@H]1C ZINC000444591441 438663541 /nfs/dbraw/zinc/66/35/41/438663541.db2.gz CTDSJCOIRDTMIK-UONOGXRCSA-N 1 1 346.435 1.114 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCO)C2CCOCC2)cc1 ZINC000444771138 438663854 /nfs/dbraw/zinc/66/38/54/438663854.db2.gz HDLAPMOCJVWWIO-UHFFFAOYSA-N 1 1 338.429 0.805 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCO)C2CCOCC2)cc1 ZINC000444771138 438663858 /nfs/dbraw/zinc/66/38/58/438663858.db2.gz HDLAPMOCJVWWIO-UHFFFAOYSA-N 1 1 338.429 0.805 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000446063337 438668435 /nfs/dbraw/zinc/66/84/35/438668435.db2.gz XYNMHFIJZRZKCD-HZPDHXFCSA-N 1 1 336.480 0.772 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000447390914 438676829 /nfs/dbraw/zinc/67/68/29/438676829.db2.gz CTZAKHSQJNMRQQ-HUUCEWRRSA-N 1 1 327.425 0.094 20 30 ECEDMO CC#CC[N@@H+](C)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000411771839 438682160 /nfs/dbraw/zinc/68/21/60/438682160.db2.gz PGANXTMXSZBNFP-UHFFFAOYSA-N 1 1 337.445 0.338 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000453817405 438696502 /nfs/dbraw/zinc/69/65/02/438696502.db2.gz KSRFJYRXETUCPJ-MRXNPFEDSA-N 1 1 344.415 0.768 20 30 ECEDMO COc1cc(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)ccc1C#N ZINC000414717755 438715948 /nfs/dbraw/zinc/71/59/48/438715948.db2.gz UWVVPRWMSWNNTJ-MRXNPFEDSA-N 1 1 328.416 0.963 20 30 ECEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000549159052 438735669 /nfs/dbraw/zinc/73/56/69/438735669.db2.gz PFOKMRLDIVYFSI-OAHLLOKOSA-N 1 1 339.399 0.792 20 30 ECEDMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000551907348 438739089 /nfs/dbraw/zinc/73/90/89/438739089.db2.gz BOYBHGXCZMNWCM-ZDUSSCGKSA-N 1 1 332.408 0.827 20 30 ECEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000551907348 438739091 /nfs/dbraw/zinc/73/90/91/438739091.db2.gz BOYBHGXCZMNWCM-ZDUSSCGKSA-N 1 1 332.408 0.827 20 30 ECEDMO C#CCCN1CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000497044271 438761010 /nfs/dbraw/zinc/76/10/10/438761010.db2.gz MTSRUWZXJVNHGK-KRWDZBQOSA-N 1 1 325.453 0.903 20 30 ECEDMO N#CCc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000576038105 438765151 /nfs/dbraw/zinc/76/51/51/438765151.db2.gz ZAHVLXRWOKXPRA-INIZCTEOSA-N 1 1 340.427 0.969 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2ccsc2C#N)CC1 ZINC000595629755 438837165 /nfs/dbraw/zinc/83/71/65/438837165.db2.gz KGZSGHKBNSRDFD-AWEZNQCLSA-N 1 1 338.477 0.681 20 30 ECEDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000595665502 438843089 /nfs/dbraw/zinc/84/30/89/438843089.db2.gz XXKIHBUWLXAOOX-RRFJBIMHSA-N 1 1 329.356 0.584 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000588966101 438850672 /nfs/dbraw/zinc/85/06/72/438850672.db2.gz FHUOJDQARUPMIX-HNCZQISISA-N 1 1 337.464 0.981 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000588966101 438850674 /nfs/dbraw/zinc/85/06/74/438850674.db2.gz FHUOJDQARUPMIX-HNCZQISISA-N 1 1 337.464 0.981 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000588966103 438851142 /nfs/dbraw/zinc/85/11/42/438851142.db2.gz FHUOJDQARUPMIX-SYGRHNPNSA-N 1 1 337.464 0.981 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000588966103 438851150 /nfs/dbraw/zinc/85/11/50/438851150.db2.gz FHUOJDQARUPMIX-SYGRHNPNSA-N 1 1 337.464 0.981 20 30 ECEDMO CC(C)N1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1=O ZINC000516175427 438895223 /nfs/dbraw/zinc/89/52/23/438895223.db2.gz OSOBDCARDCPKCD-CYBMUJFWSA-N 1 1 336.417 0.326 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000590010972 438896308 /nfs/dbraw/zinc/89/63/08/438896308.db2.gz DJXKIYSQJQKWCY-ULQDDVLXSA-N 1 1 333.480 0.315 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590279236 438905485 /nfs/dbraw/zinc/90/54/85/438905485.db2.gz AOFRLLZJOGHEKO-TZMCWYRMSA-N 1 1 328.372 0.668 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@H]1C ZINC000601466270 438905960 /nfs/dbraw/zinc/90/59/60/438905960.db2.gz ZDGDZDDPUPNCNG-CVEARBPZSA-N 1 1 349.479 0.375 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000589139395 438858941 /nfs/dbraw/zinc/85/89/41/438858941.db2.gz YFGQZCCHCSLGEO-CZUORRHYSA-N 1 1 344.415 0.352 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000589139395 438858945 /nfs/dbraw/zinc/85/89/45/438858945.db2.gz YFGQZCCHCSLGEO-CZUORRHYSA-N 1 1 344.415 0.352 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595869157 438875230 /nfs/dbraw/zinc/87/52/30/438875230.db2.gz VQQPRUMFBDLZGF-ROUUACIJSA-N 1 1 345.443 0.829 20 30 ECEDMO C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC[N@H+](C2CCC2)C1 ZINC000515739940 438878621 /nfs/dbraw/zinc/87/86/21/438878621.db2.gz PSLZHDCYIDHZTN-ZFWWWQNUSA-N 1 1 342.465 0.262 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)CNC(C)(C)C[NH+](C)C)CC2)o1 ZINC000459551140 438975114 /nfs/dbraw/zinc/97/51/14/438975114.db2.gz RHOMZTZDFWZREV-UHFFFAOYSA-N 1 1 348.451 0.433 20 30 ECEDMO Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCN(CCC#N)CC1 ZINC000601855199 438978759 /nfs/dbraw/zinc/97/87/59/438978759.db2.gz CFOSBFFKSNOIMA-CABCVRRESA-N 1 1 345.451 0.386 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H]3CC(=O)N3)CC2)cc1 ZINC000596693124 438989698 /nfs/dbraw/zinc/98/96/98/438989698.db2.gz GSWCLJOPEZRMPH-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000459826151 439009667 /nfs/dbraw/zinc/00/96/67/439009667.db2.gz WBCHASDCZVXWFB-CABCVRRESA-N 1 1 325.453 0.715 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000459826151 439009670 /nfs/dbraw/zinc/00/96/70/439009670.db2.gz WBCHASDCZVXWFB-CABCVRRESA-N 1 1 325.453 0.715 20 30 ECEDMO N#CCC(=O)N1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000579855031 439044719 /nfs/dbraw/zinc/04/47/19/439044719.db2.gz RTTRESBUUYGIOG-UHFFFAOYSA-N 1 1 333.367 0.794 20 30 ECEDMO C[C@@H](CC#N)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000597053322 439033456 /nfs/dbraw/zinc/03/34/56/439033456.db2.gz UEMVNVVQNQJCEX-HNNXBMFYSA-N 1 1 328.416 0.997 20 30 ECEDMO N#CC1(CS(=O)(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CCCC1 ZINC000591633699 439038661 /nfs/dbraw/zinc/03/86/61/439038661.db2.gz QSYQXDPUEBPVDF-ZNMIVQPWSA-N 1 1 341.477 0.977 20 30 ECEDMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)s1 ZINC000519540364 439039288 /nfs/dbraw/zinc/03/92/88/439039288.db2.gz PIYKZEGJLNICFD-QWRGUYRKSA-N 1 1 326.422 0.787 20 30 ECEDMO CC[N@H+](CCCC(C)(C)C#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000471706694 439091482 /nfs/dbraw/zinc/09/14/82/439091482.db2.gz QUJWREJUVBIKOC-ZDUSSCGKSA-N 1 1 329.466 0.942 20 30 ECEDMO CC[N@@H+](CCCC(C)(C)C#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000471706694 439091487 /nfs/dbraw/zinc/09/14/87/439091487.db2.gz QUJWREJUVBIKOC-ZDUSSCGKSA-N 1 1 329.466 0.942 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000520650487 439092113 /nfs/dbraw/zinc/09/21/13/439092113.db2.gz YIEZGDAISLZUSR-UKRRQHHQSA-N 1 1 341.477 0.567 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000520650487 439092119 /nfs/dbraw/zinc/09/21/19/439092119.db2.gz YIEZGDAISLZUSR-UKRRQHHQSA-N 1 1 341.477 0.567 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000597258236 439065326 /nfs/dbraw/zinc/06/53/26/439065326.db2.gz MALFSZPPCSVLDZ-CQSZACIVSA-N 1 1 335.452 0.080 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)C1 ZINC000597263400 439066146 /nfs/dbraw/zinc/06/61/46/439066146.db2.gz YQSDWIHFKJJQOK-CQSZACIVSA-N 1 1 335.452 0.080 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)n(CCC#N)n1 ZINC000521696314 439128269 /nfs/dbraw/zinc/12/82/69/439128269.db2.gz DJEAKLCLVMXVPG-ZDUSSCGKSA-N 1 1 334.424 0.889 20 30 ECEDMO C=C(C)C[C@H](NCc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)OC ZINC000602735582 439129029 /nfs/dbraw/zinc/12/90/29/439129029.db2.gz XXJPJEWHIPYCJM-HNNXBMFYSA-N 1 1 333.436 0.826 20 30 ECEDMO Cc1ncc(S(=O)(=O)NCc2c[nH+]c(N(C)C)n2C)cc1C#N ZINC000489397810 439225801 /nfs/dbraw/zinc/22/58/01/439225801.db2.gz NOJXKGVHCXBVGV-UHFFFAOYSA-N 1 1 334.405 0.540 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn2cc[nH+]c12 ZINC000592299143 439194780 /nfs/dbraw/zinc/19/47/80/439194780.db2.gz CNWWRKJADGHRLS-INIZCTEOSA-N 1 1 327.344 0.458 20 30 ECEDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cc(C#N)ccc1C ZINC000592388892 439217380 /nfs/dbraw/zinc/21/73/80/439217380.db2.gz POLMDDISBJMGCT-CYBMUJFWSA-N 1 1 337.401 0.392 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC[N@H+]1C ZINC000592772398 439275411 /nfs/dbraw/zinc/27/54/11/439275411.db2.gz HROMSKBIKDHTQP-MGPQQGTHSA-N 1 1 328.420 0.726 20 30 ECEDMO COCC(=O)NC1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000603681833 439279048 /nfs/dbraw/zinc/27/90/48/439279048.db2.gz LDPZDCRHCFSLLC-GUYCJALGSA-N 1 1 338.452 0.656 20 30 ECEDMO N#Cc1cnn2cc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)cnc12 ZINC000592502614 439243952 /nfs/dbraw/zinc/24/39/52/439243952.db2.gz VOZIWJIKMRVZDT-AWEZNQCLSA-N 1 1 326.404 0.755 20 30 ECEDMO N#Cc1cnn2cc(CN3CC[C@@H](C[NH+]4CCOCC4)C3)cnc12 ZINC000592502614 439243954 /nfs/dbraw/zinc/24/39/54/439243954.db2.gz VOZIWJIKMRVZDT-AWEZNQCLSA-N 1 1 326.404 0.755 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603408505 439255429 /nfs/dbraw/zinc/25/54/29/439255429.db2.gz DJKYQIBDQRWWGP-MRXNPFEDSA-N 1 1 345.447 0.423 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000603409213 439255601 /nfs/dbraw/zinc/25/56/01/439255601.db2.gz IWGWZVUVWANXGH-OAHLLOKOSA-N 1 1 331.420 0.413 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[nH]1 ZINC000603412776 439256216 /nfs/dbraw/zinc/25/62/16/439256216.db2.gz SXBHWWQXAUJMQB-OAHLLOKOSA-N 1 1 331.420 0.413 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000527329236 439264668 /nfs/dbraw/zinc/26/46/68/439264668.db2.gz VAYNYFOVZDXNOK-ZDUSSCGKSA-N 1 1 330.388 0.963 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@@H](COC)c2ccc(F)cc2)CC1 ZINC000490922914 439312837 /nfs/dbraw/zinc/31/28/37/439312837.db2.gz HFWVZTKGDXWEEO-KRWDZBQOSA-N 1 1 333.407 0.880 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000491066477 439326744 /nfs/dbraw/zinc/32/67/44/439326744.db2.gz CMOCAUXVXGYITN-UHFFFAOYSA-N 1 1 343.427 0.521 20 30 ECEDMO NC(=O)N1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528365415 439331678 /nfs/dbraw/zinc/33/16/78/439331678.db2.gz DWNXSEFQYNBMOV-UHFFFAOYSA-N 1 1 340.383 0.372 20 30 ECEDMO NC(=O)N1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528365415 439331680 /nfs/dbraw/zinc/33/16/80/439331680.db2.gz DWNXSEFQYNBMOV-UHFFFAOYSA-N 1 1 340.383 0.372 20 30 ECEDMO NC(=O)C[C@H]1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528398455 439332990 /nfs/dbraw/zinc/33/29/90/439332990.db2.gz HBYICPKWMTYBES-CQSZACIVSA-N 1 1 339.395 0.873 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCC(=O)OCc2ccccc2)CC1 ZINC000491146740 439337560 /nfs/dbraw/zinc/33/75/60/439337560.db2.gz OYDFDHHRNYZVCI-UHFFFAOYSA-N 1 1 343.427 0.487 20 30 ECEDMO N#CC[C@]1(O)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000592846571 439290544 /nfs/dbraw/zinc/29/05/44/439290544.db2.gz XNYCENPFXFSQCH-WMZOPIPTSA-N 1 1 329.400 0.764 20 30 ECEDMO N#CC[C@]1(O)CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000592846571 439290549 /nfs/dbraw/zinc/29/05/49/439290549.db2.gz XNYCENPFXFSQCH-WMZOPIPTSA-N 1 1 329.400 0.764 20 30 ECEDMO N#CCc1ccc(CS(=O)(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC000582119338 439290649 /nfs/dbraw/zinc/29/06/49/439290649.db2.gz QRUSITQSNOUOAZ-UHFFFAOYSA-N 1 1 337.445 0.629 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](CCO)c2ccccc2)CC1 ZINC000490740213 439293457 /nfs/dbraw/zinc/29/34/57/439293457.db2.gz JMBHDCLGDDNNQL-SFHVURJKSA-N 1 1 329.444 0.819 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@@H](CCO)c2ccccc2)CC1 ZINC000490740213 439293462 /nfs/dbraw/zinc/29/34/62/439293462.db2.gz JMBHDCLGDDNNQL-SFHVURJKSA-N 1 1 329.444 0.819 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CCCO)Cc2ccccc2)CC1 ZINC000490818729 439301021 /nfs/dbraw/zinc/30/10/21/439301021.db2.gz AAYCGMKXCQUCNJ-UHFFFAOYSA-N 1 1 329.444 0.648 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000490854136 439304395 /nfs/dbraw/zinc/30/43/95/439304395.db2.gz XUVSVLYYPFJQAK-HKUYNNGSSA-N 1 1 344.503 0.713 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000490897737 439309488 /nfs/dbraw/zinc/30/94/88/439309488.db2.gz FGNQIXSSKUBPON-KGLIPLIRSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000490897737 439309493 /nfs/dbraw/zinc/30/94/93/439309493.db2.gz FGNQIXSSKUBPON-KGLIPLIRSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(Nc3ccccn3)CC2)CC1 ZINC000490900740 439310007 /nfs/dbraw/zinc/31/00/07/439310007.db2.gz XOQWQEMRRAMOOX-UHFFFAOYSA-N 1 1 341.459 0.735 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2ccccc2C#N)CC1 ZINC000569788656 439360888 /nfs/dbraw/zinc/36/08/88/439360888.db2.gz QPFPIWMEAAFURS-KRWDZBQOSA-N 1 1 332.448 0.619 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000491202089 439347388 /nfs/dbraw/zinc/34/73/88/439347388.db2.gz LQOBSAXBPIHKPU-DLBZAZTESA-N 1 1 348.491 0.438 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000491525766 439401723 /nfs/dbraw/zinc/40/17/23/439401723.db2.gz VBHHGFNETYJJLB-OAHLLOKOSA-N 1 1 348.422 0.724 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)NCCn2cc[nH+]c2C)n1 ZINC000491535920 439402126 /nfs/dbraw/zinc/40/21/26/439402126.db2.gz GDPZSCWRLSUHGR-UHFFFAOYSA-N 1 1 344.419 0.879 20 30 ECEDMO CC[C@@H](C#N)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000593452920 439383222 /nfs/dbraw/zinc/38/32/22/439383222.db2.gz JPLWYENPKCSSQV-HNNXBMFYSA-N 1 1 349.479 0.233 20 30 ECEDMO COC(=O)[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000599266203 439410035 /nfs/dbraw/zinc/41/00/35/439410035.db2.gz SIOOOPRWGDGXAW-ZDUSSCGKSA-N 1 1 326.352 0.781 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000491744782 439438619 /nfs/dbraw/zinc/43/86/19/439438619.db2.gz WHQNIECNMADSAF-UHFFFAOYSA-N 1 1 328.416 0.953 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000491794338 439451330 /nfs/dbraw/zinc/45/13/30/439451330.db2.gz QEICBNABQAGVIN-HOTGVXAUSA-N 1 1 347.459 0.821 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854360 439479205 /nfs/dbraw/zinc/47/92/05/439479205.db2.gz ISCJKCUERVXBBF-CQSZACIVSA-N 1 1 344.415 0.486 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854360 439479211 /nfs/dbraw/zinc/47/92/11/439479211.db2.gz ISCJKCUERVXBBF-CQSZACIVSA-N 1 1 344.415 0.486 20 30 ECEDMO C[C@@](O)(CNC(=O)/C=C/c1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000492103102 439496816 /nfs/dbraw/zinc/49/68/16/439496816.db2.gz KVKIQHLZZXGPEP-IPLHWJFFSA-N 1 1 329.400 0.771 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599559130 439504003 /nfs/dbraw/zinc/50/40/03/439504003.db2.gz SBDMMFUXSYYGIV-WMLDXEAASA-N 1 1 334.372 0.562 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000599570429 439508968 /nfs/dbraw/zinc/50/89/68/439508968.db2.gz XMSOWNJTQPPDTD-MAZHCROVSA-N 1 1 325.409 0.693 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000599570429 439508972 /nfs/dbraw/zinc/50/89/72/439508972.db2.gz XMSOWNJTQPPDTD-MAZHCROVSA-N 1 1 325.409 0.693 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000543758301 439564818 /nfs/dbraw/zinc/56/48/18/439564818.db2.gz MFCYNVHGTJXBOK-IAQYHMDHSA-N 1 1 345.451 0.920 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ncc1C#N ZINC000594295829 439537121 /nfs/dbraw/zinc/53/71/21/439537121.db2.gz WJYXRYNQFDPOIH-TZMCWYRMSA-N 1 1 329.404 0.999 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC[N@H+]2CC[C@H](C)C2)n1 ZINC000540267088 439547966 /nfs/dbraw/zinc/54/79/66/439547966.db2.gz KVKHNJRZXPAZOJ-LBPRGKRZSA-N 1 1 332.408 0.732 20 30 ECEDMO CN1CCN(c2cc(CNC(=O)[C@@H]([NH3+])CCCCC#N)ccn2)CC1 ZINC000594440035 439560356 /nfs/dbraw/zinc/56/03/56/439560356.db2.gz YFDZPOJXGIDRPP-INIZCTEOSA-N 1 1 344.463 0.861 20 30 ECEDMO N#CCN1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000609340723 439567025 /nfs/dbraw/zinc/56/70/25/439567025.db2.gz BMGCSVVBYNOEJJ-INIZCTEOSA-N 1 1 335.452 0.481 20 30 ECEDMO N#Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000609668456 439582829 /nfs/dbraw/zinc/58/28/29/439582829.db2.gz RFWNWGILINOZOK-GOSISDBHSA-N 1 1 342.443 0.623 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000594793945 439613472 /nfs/dbraw/zinc/61/34/72/439613472.db2.gz WWOIMVGASOBUKO-OLZOCXBDSA-N 1 1 330.454 0.166 20 30 ECEDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cn1cnc(C#N)n1 ZINC000573502653 439650893 /nfs/dbraw/zinc/65/08/93/439650893.db2.gz UFFDSULOEAHVFA-CYBMUJFWSA-N 1 1 326.360 0.331 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000610932927 439659244 /nfs/dbraw/zinc/65/92/44/439659244.db2.gz ASNKUUQRYSNMRE-UHFFFAOYSA-N 1 1 340.427 0.870 20 30 ECEDMO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1cccc(C#N)c1 ZINC000587699686 439668654 /nfs/dbraw/zinc/66/86/54/439668654.db2.gz AVWYPCNMWFHSEF-XJKSGUPXSA-N 1 1 343.431 0.097 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600765768 439701023 /nfs/dbraw/zinc/70/10/23/439701023.db2.gz MXCWORMRDKZMGT-HIFRSBDPSA-N 1 1 338.452 0.477 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522563 439703427 /nfs/dbraw/zinc/70/34/27/439703427.db2.gz IYJJQPRQSGPWLD-CQSZACIVSA-N 1 1 343.431 0.591 20 30 ECEDMO CC(C)[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)N1CCN(C)CC1 ZINC000574685108 439720791 /nfs/dbraw/zinc/72/07/91/439720791.db2.gz ZAPUDBCLYSOVMG-SJORKVTESA-N 1 1 325.501 0.054 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@](C)(C#N)C1)c(=O)n2C ZINC000612163430 439681111 /nfs/dbraw/zinc/68/11/11/439681111.db2.gz QRKGNBPTZVXLTK-KRWDZBQOSA-N 1 1 344.419 0.449 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@@](C)(C#N)C1)c(=O)n2C ZINC000612163430 439681115 /nfs/dbraw/zinc/68/11/15/439681115.db2.gz QRKGNBPTZVXLTK-KRWDZBQOSA-N 1 1 344.419 0.449 20 30 ECEDMO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1C#N)CN1CCN(C)CC1 ZINC000600729100 439696258 /nfs/dbraw/zinc/69/62/58/439696258.db2.gz WSUOYXLVJJYGFQ-WMZOPIPTSA-N 1 1 346.475 0.771 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)C3(n4cnnn4)CCOCC3)C2)C1 ZINC001041734648 782080732 /nfs/dbraw/zinc/08/07/32/782080732.db2.gz YRCWRBPNWJVXEX-INIZCTEOSA-N 1 1 346.435 0.289 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001041735804 782084567 /nfs/dbraw/zinc/08/45/67/782084567.db2.gz JILXYNFZUDLNDV-GOEBONIOSA-N 1 1 341.477 0.521 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641668144 439886100 /nfs/dbraw/zinc/88/61/00/439886100.db2.gz LIZMVWDFIGCUOQ-QGZVFWFLSA-N 1 1 339.480 0.882 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641670387 439889089 /nfs/dbraw/zinc/88/90/89/439889089.db2.gz PHSNVZYEILYEHY-ZACQAIPSSA-N 1 1 337.464 0.490 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658811230 440126049 /nfs/dbraw/zinc/12/60/49/440126049.db2.gz SDOXJVCVONHBIZ-RDJZCZTQSA-N 1 1 349.475 0.859 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000619057005 440202841 /nfs/dbraw/zinc/20/28/41/440202841.db2.gz AVCKOEWQZHOQLN-CRAIPNDOSA-N 1 1 329.400 0.704 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000659737353 440473670 /nfs/dbraw/zinc/47/36/70/440473670.db2.gz UZMPDOOTDKPTKP-HNNXBMFYSA-N 1 1 332.404 0.263 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000645167032 440758847 /nfs/dbraw/zinc/75/88/47/440758847.db2.gz GVMIUGQRTZEKQB-KRWDZBQOSA-N 1 1 344.459 0.882 20 30 ECEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000661379449 440843731 /nfs/dbraw/zinc/84/37/31/440843731.db2.gz BYDGAWQLHUZBFA-RYUDHWBXSA-N 1 1 334.420 0.526 20 30 ECEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000661378707 440845568 /nfs/dbraw/zinc/84/55/68/440845568.db2.gz KUCHGQOGXRPHTH-MRXNPFEDSA-N 1 1 336.480 0.507 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000639973985 440846824 /nfs/dbraw/zinc/84/68/24/440846824.db2.gz NWGZTSPTEQVAIX-MRXNPFEDSA-N 1 1 345.447 0.815 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000639973985 440846833 /nfs/dbraw/zinc/84/68/33/440846833.db2.gz NWGZTSPTEQVAIX-MRXNPFEDSA-N 1 1 345.447 0.815 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000657493752 441009584 /nfs/dbraw/zinc/00/95/84/441009584.db2.gz IFGSSUGUWMXTFD-INIZCTEOSA-N 1 1 334.464 0.425 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001077991800 782091645 /nfs/dbraw/zinc/09/16/45/782091645.db2.gz XNIYGWPWDYQGLT-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001077991800 782091653 /nfs/dbraw/zinc/09/16/53/782091653.db2.gz XNIYGWPWDYQGLT-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001077992450 782094046 /nfs/dbraw/zinc/09/40/46/782094046.db2.gz YHEDYKLHZFRHLT-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1=O ZINC000562990102 322291194 /nfs/dbraw/zinc/29/11/94/322291194.db2.gz DQRJHICWZQJQAD-XPKDYRNWSA-N 1 1 347.440 0.931 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC001041755341 782134317 /nfs/dbraw/zinc/13/43/17/782134317.db2.gz LRLNKKSPWXYMSC-GOSISDBHSA-N 1 1 330.432 0.971 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001041756032 782136001 /nfs/dbraw/zinc/13/60/01/782136001.db2.gz WAMQSJRQCSVFHO-KRWDZBQOSA-N 1 1 330.388 0.296 20 30 ECEDMO C[C@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000152780438 534038642 /nfs/dbraw/zinc/03/86/42/534038642.db2.gz OKKCHCJLXUIDTH-ZDUSSCGKSA-N 1 1 330.388 0.412 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000328805108 546006610 /nfs/dbraw/zinc/00/66/10/546006610.db2.gz NCNVGBOPAVIKSJ-BNOWGMLFSA-N 1 1 344.481 0.397 20 30 ECEDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2COCCO2)C[C@@H](C)O1 ZINC000329116514 546014035 /nfs/dbraw/zinc/01/40/35/546014035.db2.gz NKVZIZFOKLVIQU-LVQVYYBASA-N 1 1 341.452 0.889 20 30 ECEDMO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000329352427 546021307 /nfs/dbraw/zinc/02/13/07/546021307.db2.gz FTQUCGKUISSEQG-UONOGXRCSA-N 1 1 346.497 0.250 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000329398696 546022198 /nfs/dbraw/zinc/02/21/98/546022198.db2.gz YENOMXACONNDHH-GFCCVEGCSA-N 1 1 337.424 0.258 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000329549518 546027667 /nfs/dbraw/zinc/02/76/67/546027667.db2.gz AAKIBAUVFXFGLK-ZDUSSCGKSA-N 1 1 332.360 0.861 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000329549518 546027671 /nfs/dbraw/zinc/02/76/71/546027671.db2.gz AAKIBAUVFXFGLK-ZDUSSCGKSA-N 1 1 332.360 0.861 20 30 ECEDMO CC[NH+]1CCC(NC(=O)CN2CCO[C@@H](c3n[nH]c(C)n3)C2)CC1 ZINC000329621677 546029393 /nfs/dbraw/zinc/02/93/93/546029393.db2.gz GZBBKQLCBAFOSU-CQSZACIVSA-N 1 1 336.440 0.927 20 30 ECEDMO C[C@](O)(CNC(=O)c1cccc2c1OCCO2)C[NH+]1CCOCC1 ZINC000329796082 546034286 /nfs/dbraw/zinc/03/42/86/546034286.db2.gz DKQGJDSFAIWRTD-KRWDZBQOSA-N 1 1 336.388 0.846 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000667939804 547573359 /nfs/dbraw/zinc/57/33/59/547573359.db2.gz QUDZIZIYEGGBTH-LSDHHAIUSA-N 1 1 338.452 0.161 20 30 ECEDMO C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)CCC(=O)NC ZINC000669033176 547816578 /nfs/dbraw/zinc/81/65/78/547816578.db2.gz JCOIDIYDWRCJRJ-KGLIPLIRSA-N 1 1 348.451 0.572 20 30 ECEDMO C[C@@H]1CC(=NNC(=S)NCCCN2CCOCC2)C[N@@H+]1C1CC1 ZINC000753955226 579409811 /nfs/dbraw/zinc/40/98/11/579409811.db2.gz LHDUTRASIABQSJ-CYBMUJFWSA-N 1 1 339.509 0.785 20 30 ECEDMO C[C@@H]1CC(=NNC(=S)NCCCN2CCOCC2)C[N@H+]1C1CC1 ZINC000753955226 579409812 /nfs/dbraw/zinc/40/98/12/579409812.db2.gz LHDUTRASIABQSJ-CYBMUJFWSA-N 1 1 339.509 0.785 20 30 ECEDMO C[C@@H]1CC(=NNC(=S)NCCN2CCOCC2)C[N@@H+]1C1CC1 ZINC000753956602 579409979 /nfs/dbraw/zinc/40/99/79/579409979.db2.gz YZILSQHCMVVXHQ-GFCCVEGCSA-N 1 1 325.482 0.395 20 30 ECEDMO C[C@@H]1CC(=NNC(=S)NCCN2CCOCC2)C[N@H+]1C1CC1 ZINC000753956602 579409980 /nfs/dbraw/zinc/40/99/80/579409980.db2.gz YZILSQHCMVVXHQ-GFCCVEGCSA-N 1 1 325.482 0.395 20 30 ECEDMO CC(C)[N@@H+]1CC(=NNC(=S)NCCCN2CCOCC2)[C@H](C)C1 ZINC000754253395 579414980 /nfs/dbraw/zinc/41/49/80/579414980.db2.gz DRSCLOBMUMFQPJ-CQSZACIVSA-N 1 1 341.525 0.889 20 30 ECEDMO COCC[N@@H+](C)CCCNc1cccc(S(N)(=O)=O)c1C#N ZINC000754980699 579427130 /nfs/dbraw/zinc/42/71/30/579427130.db2.gz UMEBUHVVSUXJOL-UHFFFAOYSA-N 1 1 326.422 0.586 20 30 ECEDMO C#CCNC(=S)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000758209420 579468732 /nfs/dbraw/zinc/46/87/32/579468732.db2.gz JUUXXVURSXTASV-UHFFFAOYSA-N 1 1 330.457 0.923 20 30 ECEDMO C[NH+]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 ZINC000758769411 579481463 /nfs/dbraw/zinc/48/14/63/579481463.db2.gz IYPIQASFBCWRLY-STQMWFEESA-N 1 1 337.424 0.702 20 30 ECEDMO CCCC[N@@H+](C)CCNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000732892007 578330728 /nfs/dbraw/zinc/33/07/28/578330728.db2.gz YEEJAHSIEJDRFT-PFONDFGASA-N 1 1 337.424 0.544 20 30 ECEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000734669160 578365946 /nfs/dbraw/zinc/36/59/46/578365946.db2.gz QTSYKEGKRPTVGK-JFVSRZABSA-N 1 1 349.435 0.496 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735382311 578383114 /nfs/dbraw/zinc/38/31/14/578383114.db2.gz YDGFVFKPQVOTMD-UHFFFAOYSA-N 1 1 340.387 0.459 20 30 ECEDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000795704237 578619235 /nfs/dbraw/zinc/61/92/35/578619235.db2.gz XUAXSTXHEYUBIK-HOCLYGCPSA-N 1 1 342.443 0.961 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC3(CCC3)CC2)c1=O ZINC000795713719 578619245 /nfs/dbraw/zinc/61/92/45/578619245.db2.gz LBODJZYCEJZPBF-UHFFFAOYSA-N 1 1 346.431 0.767 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000799284463 578661991 /nfs/dbraw/zinc/66/19/91/578661991.db2.gz GUONJFJRGREJMJ-CQSZACIVSA-N 1 1 341.371 0.405 20 30 ECEDMO C=CCn1nnn(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1=S ZINC000780480443 578694759 /nfs/dbraw/zinc/69/47/59/578694759.db2.gz MRPZISXWJHXUOS-GFCCVEGCSA-N 1 1 326.470 0.730 20 30 ECEDMO C[C@H](CNC(=O)[C@H](O)c1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000780939646 578703294 /nfs/dbraw/zinc/70/32/94/578703294.db2.gz KIEGYFMCIOZLIH-RHSMWYFYSA-N 1 1 330.432 0.591 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O ZINC000781859691 578716107 /nfs/dbraw/zinc/71/61/07/578716107.db2.gz JCBHGNQSPOMEIA-CZUORRHYSA-N 1 1 331.416 0.895 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c1=O ZINC000784034575 578748587 /nfs/dbraw/zinc/74/85/87/578748587.db2.gz VVFFRLLGOGJURS-CQSZACIVSA-N 1 1 348.447 0.869 20 30 ECEDMO C#CCOCCNC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000784204787 578749629 /nfs/dbraw/zinc/74/96/29/578749629.db2.gz KYNCJJMNJPXAGT-UHFFFAOYSA-N 1 1 344.459 0.883 20 30 ECEDMO C#CCOCCNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000784216049 578749789 /nfs/dbraw/zinc/74/97/89/578749789.db2.gz SSHLQHNQMZDFIO-UHFFFAOYSA-N 1 1 348.422 0.897 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CCCO1 ZINC000787637143 578811968 /nfs/dbraw/zinc/81/19/68/578811968.db2.gz JYDOCZXDLVOBQJ-SOUVJXGZSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000789355453 578852683 /nfs/dbraw/zinc/85/26/83/578852683.db2.gz DYMDJQVAHMMSFP-HNNXBMFYSA-N 1 1 329.466 0.013 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000790220812 578869934 /nfs/dbraw/zinc/86/99/34/578869934.db2.gz VMELGXWPQYLEIH-CABCVRRESA-N 1 1 339.461 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000790220812 578869936 /nfs/dbraw/zinc/86/99/36/578869936.db2.gz VMELGXWPQYLEIH-CABCVRRESA-N 1 1 339.461 0.111 20 30 ECEDMO C[C@H](NC(=O)NCCNc1ncccc1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000770120601 579160166 /nfs/dbraw/zinc/16/01/66/579160166.db2.gz AUIJHCGXMMDCDR-JSGCOSHPSA-N 1 1 332.408 0.383 20 30 ECEDMO C[C@H](NC(=O)NCCNc1ncccc1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000770120601 579160168 /nfs/dbraw/zinc/16/01/68/579160168.db2.gz AUIJHCGXMMDCDR-JSGCOSHPSA-N 1 1 332.408 0.383 20 30 ECEDMO COC(=O)CC[N@@H+](CCC(=O)N(C)CCC#N)C1CCOCC1 ZINC000771448141 579189313 /nfs/dbraw/zinc/18/93/13/579189313.db2.gz SUBAEQGXFZZRPK-UHFFFAOYSA-N 1 1 325.409 0.793 20 30 ECEDMO C#C[C@H](NCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCCO1 ZINC000775793655 579271337 /nfs/dbraw/zinc/27/13/37/579271337.db2.gz WPERHFJCZOEDAS-ULQDDVLXSA-N 1 1 337.464 0.230 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)[C@H]1CCCO1 ZINC000775793880 579271346 /nfs/dbraw/zinc/27/13/46/579271346.db2.gz WZOYIZMDEXWLCC-HUUCEWRRSA-N 1 1 341.367 0.621 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCCO1 ZINC000775798528 579271505 /nfs/dbraw/zinc/27/15/05/579271505.db2.gz KACUPFHRPYJFHV-CHWSQXEVSA-N 1 1 345.355 0.834 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[C@H]1CCCO1 ZINC000776227566 579278158 /nfs/dbraw/zinc/27/81/58/579278158.db2.gz ZEOWRQWONNZUKI-FGTMMUONSA-N 1 1 348.491 0.979 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCCCC[C@@H]2C)c1=O ZINC000738225792 579612678 /nfs/dbraw/zinc/61/26/78/579612678.db2.gz UMMSQXHNEKTOFD-AWEZNQCLSA-N 1 1 334.420 0.766 20 30 ECEDMO C[N@@H+](CCNC(=O)C(=O)Nc1cnn(CC#N)c1)Cc1ccccc1 ZINC000746377226 579837384 /nfs/dbraw/zinc/83/73/84/579837384.db2.gz LVLZCGOZTCEDLV-UHFFFAOYSA-N 1 1 340.387 0.593 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cnc(C2CC2)nc1 ZINC000841607807 588996306 /nfs/dbraw/zinc/99/63/06/588996306.db2.gz JNIQNXOBOFTBTF-UHFFFAOYSA-N 1 1 348.476 0.874 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000804729273 586062735 /nfs/dbraw/zinc/06/27/35/586062735.db2.gz HMFRCWLFQIGJIW-NSHDSACASA-N 1 1 330.226 0.612 20 30 ECEDMO COC(=O)c1cnc(C(C)=NNCCC[NH+]2CCOCC2)s1 ZINC000841635760 586259832 /nfs/dbraw/zinc/25/98/32/586259832.db2.gz AANAOQKUUJETOL-UHFFFAOYSA-N 1 1 326.422 0.966 20 30 ECEDMO C#CC1(O)CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000892772660 586289199 /nfs/dbraw/zinc/28/91/99/586289199.db2.gz PDXHVDWZMDZWIR-KRWDZBQOSA-N 1 1 327.428 0.941 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000898593928 586435543 /nfs/dbraw/zinc/43/55/43/586435543.db2.gz IDXVONLMSMHSDS-AWEZNQCLSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000898593928 586435545 /nfs/dbraw/zinc/43/55/45/586435545.db2.gz IDXVONLMSMHSDS-AWEZNQCLSA-N 1 1 341.477 0.550 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000900029442 586519608 /nfs/dbraw/zinc/51/96/08/586519608.db2.gz YKRWXPSCBHKZNB-LMMKCTJWSA-N 1 1 342.443 0.851 20 30 ECEDMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000900044157 586520689 /nfs/dbraw/zinc/52/06/89/586520689.db2.gz FQNXZEQKSJOJKC-SFHVURJKSA-N 1 1 343.431 0.449 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000843250777 589056610 /nfs/dbraw/zinc/05/66/10/589056610.db2.gz RCRNTKAZJNXWOW-CVEARBPZSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000843250777 589056612 /nfs/dbraw/zinc/05/66/12/589056612.db2.gz RCRNTKAZJNXWOW-CVEARBPZSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000843254977 589057159 /nfs/dbraw/zinc/05/71/59/589057159.db2.gz RPRKNMXZXXCGOE-OAHLLOKOSA-N 1 1 335.448 0.163 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000843254977 589057161 /nfs/dbraw/zinc/05/71/61/589057161.db2.gz RPRKNMXZXXCGOE-OAHLLOKOSA-N 1 1 335.448 0.163 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2nc3nc(C)cc(C)n3n2)C1 ZINC000902728739 586755545 /nfs/dbraw/zinc/75/55/45/586755545.db2.gz ASMSJQWHPMANTN-ZDUSSCGKSA-N 1 1 327.392 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2nc3nc(C)cc(C)n3n2)C1 ZINC000902728739 586755546 /nfs/dbraw/zinc/75/55/46/586755546.db2.gz ASMSJQWHPMANTN-ZDUSSCGKSA-N 1 1 327.392 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1(C(=O)OCC)CCOCC1 ZINC000888338919 586772023 /nfs/dbraw/zinc/77/20/23/586772023.db2.gz QBYMSLKWBWIJFM-GJZGRUSLSA-N 1 1 336.432 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1(C(=O)OCC)CCOCC1 ZINC000888338919 586772026 /nfs/dbraw/zinc/77/20/26/586772026.db2.gz QBYMSLKWBWIJFM-GJZGRUSLSA-N 1 1 336.432 0.949 20 30 ECEDMO COC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000903600015 586795235 /nfs/dbraw/zinc/79/52/35/586795235.db2.gz FWNNMKVOSZONQM-LLVKDONJSA-N 1 1 329.809 0.821 20 30 ECEDMO COC(=O)[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC[N@@H+](C)C1 ZINC000843414220 589066539 /nfs/dbraw/zinc/06/65/39/589066539.db2.gz XRJLXGVOCHEGDE-AWEZNQCLSA-N 1 1 328.376 0.138 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906555933 586953148 /nfs/dbraw/zinc/95/31/48/586953148.db2.gz NCBROGBNOPEASF-INIZCTEOSA-N 1 1 334.464 0.002 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc(C)n(C)n1 ZINC000799868151 586960711 /nfs/dbraw/zinc/96/07/11/586960711.db2.gz UDAUNENTNCIJQP-UHFFFAOYSA-N 1 1 338.481 0.639 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000907382343 587038995 /nfs/dbraw/zinc/03/89/95/587038995.db2.gz HCGFDRLHEUROIY-RHSMWYFYSA-N 1 1 329.404 0.057 20 30 ECEDMO CC[C@](C)(C#N)C(=O)OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000803782431 587069113 /nfs/dbraw/zinc/06/91/13/587069113.db2.gz LZEXJUGGTJORCN-WMLDXEAASA-N 1 1 339.436 0.942 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000804024608 587074296 /nfs/dbraw/zinc/07/42/96/587074296.db2.gz WZUROQFMTNQZNP-JTQLQIEISA-N 1 1 348.241 0.096 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000804084443 587079315 /nfs/dbraw/zinc/07/93/15/587079315.db2.gz WQMWYKHMSAPULJ-UHFFFAOYSA-N 1 1 336.367 0.008 20 30 ECEDMO CC[N@@H+](CCNC(=O)C(=O)NCCNc1ccc(C#N)cn1)C1CC1 ZINC000804224430 587081823 /nfs/dbraw/zinc/08/18/23/587081823.db2.gz OWKDYKMYWRBMLZ-UHFFFAOYSA-N 1 1 344.419 0.082 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1CC)[C@@H]1CCCO1 ZINC000806252215 587091859 /nfs/dbraw/zinc/09/18/59/587091859.db2.gz DGNODNORHQXWKB-PMPSAXMXSA-N 1 1 335.448 0.664 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000806867904 587109838 /nfs/dbraw/zinc/10/98/38/587109838.db2.gz AKTAREFUEJGQFM-QGZVFWFLSA-N 1 1 328.416 0.199 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806911200 587111205 /nfs/dbraw/zinc/11/12/05/587111205.db2.gz JMETZUFTONSIKE-OWCLPIDISA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806911200 587111207 /nfs/dbraw/zinc/11/12/07/587111207.db2.gz JMETZUFTONSIKE-OWCLPIDISA-N 1 1 335.448 0.616 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000808159709 587146329 /nfs/dbraw/zinc/14/63/29/587146329.db2.gz JDWMGQUMVYZZHC-GJZGRUSLSA-N 1 1 328.368 0.434 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCCO1 ZINC000809303799 587173316 /nfs/dbraw/zinc/17/33/16/587173316.db2.gz BNPRNMXEEPMEEN-JYJNAYRXSA-N 1 1 335.448 0.378 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)[C@@H]1CCCO1 ZINC000809305667 587173556 /nfs/dbraw/zinc/17/35/56/587173556.db2.gz HQZUIUUKOUOBGP-IRXDYDNUSA-N 1 1 349.475 0.862 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000809313674 587175249 /nfs/dbraw/zinc/17/52/49/587175249.db2.gz UQGTWPPKZQAJSZ-CABCVRRESA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)c2ccccc2OC)CC1 ZINC000815009643 587280958 /nfs/dbraw/zinc/28/09/58/587280958.db2.gz ADZINLYZYAUMFH-UHFFFAOYSA-N 1 1 329.400 0.593 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000818606291 587440723 /nfs/dbraw/zinc/44/07/23/587440723.db2.gz JQTMVVBBCUUGNI-CQSZACIVSA-N 1 1 339.436 0.694 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986169 587463324 /nfs/dbraw/zinc/46/33/24/587463324.db2.gz HHTOWMBNCNDCCR-LMMKCTJWSA-N 1 1 345.443 0.945 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986169 587463326 /nfs/dbraw/zinc/46/33/26/587463326.db2.gz HHTOWMBNCNDCCR-LMMKCTJWSA-N 1 1 345.443 0.945 20 30 ECEDMO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)[C@@H](C#N)C1 ZINC000819230228 587473130 /nfs/dbraw/zinc/47/31/30/587473130.db2.gz SSBAWPYVYLRQCF-MJBXVCDLSA-N 1 1 335.408 0.593 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)O1 ZINC000822550418 587665752 /nfs/dbraw/zinc/66/57/52/587665752.db2.gz DHAFYQJSMACXRU-CZUORRHYSA-N 1 1 329.404 0.321 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)O1 ZINC000822550418 587665753 /nfs/dbraw/zinc/66/57/53/587665753.db2.gz DHAFYQJSMACXRU-CZUORRHYSA-N 1 1 329.404 0.321 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000823845698 587745413 /nfs/dbraw/zinc/74/54/13/587745413.db2.gz WTYARCNKXINGCV-UHFFFAOYSA-N 1 1 345.432 0.508 20 30 ECEDMO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365047 589109215 /nfs/dbraw/zinc/10/92/15/589109215.db2.gz JCNSIFZPAYDBCG-IUODEOHRSA-N 1 1 348.403 0.384 20 30 ECEDMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365047 589109217 /nfs/dbraw/zinc/10/92/17/589109217.db2.gz JCNSIFZPAYDBCG-IUODEOHRSA-N 1 1 348.403 0.384 20 30 ECEDMO N#CCCNC(=O)CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000844399808 589110412 /nfs/dbraw/zinc/11/04/12/589110412.db2.gz GYIJMEXJELBHNI-QZTJIDSGSA-N 1 1 342.443 0.992 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000850712187 589381535 /nfs/dbraw/zinc/38/15/35/589381535.db2.gz KGZJOXRHJHHFKP-QGZVFWFLSA-N 1 1 349.475 0.675 20 30 ECEDMO CC(C)(C)OC(=O)N1CCO[C@H](C[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000852205805 589450642 /nfs/dbraw/zinc/45/06/42/589450642.db2.gz UXIYQXCYLUQVSR-CJNGLKHVSA-N 1 1 325.409 0.973 20 30 ECEDMO CC(C)(C)OC(=O)N1CCO[C@H](C[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000852205805 589450643 /nfs/dbraw/zinc/45/06/43/589450643.db2.gz UXIYQXCYLUQVSR-CJNGLKHVSA-N 1 1 325.409 0.973 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852723461 589507331 /nfs/dbraw/zinc/50/73/31/589507331.db2.gz XMGCQVFBAMRNHV-UHFFFAOYSA-N 1 1 333.392 0.559 20 30 ECEDMO OCc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000853268284 589539229 /nfs/dbraw/zinc/53/92/29/589539229.db2.gz XVNGJNOAFRATEU-UHFFFAOYSA-N 1 1 336.461 0.699 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000856328329 589660924 /nfs/dbraw/zinc/66/09/24/589660924.db2.gz LVGSPQGBUIWKNQ-AEFFLSMTSA-N 1 1 329.444 0.957 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000856328329 589660926 /nfs/dbraw/zinc/66/09/26/589660926.db2.gz LVGSPQGBUIWKNQ-AEFFLSMTSA-N 1 1 329.444 0.957 20 30 ECEDMO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(OCC#N)cc1 ZINC000858569849 589757534 /nfs/dbraw/zinc/75/75/34/589757534.db2.gz OMJPMCVKXHQOPT-GFCCVEGCSA-N 1 1 338.433 0.730 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000859020413 589792973 /nfs/dbraw/zinc/79/29/73/589792973.db2.gz KWKUQXDWTCYHSL-LSDHHAIUSA-N 1 1 339.436 0.694 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000859020413 589792975 /nfs/dbraw/zinc/79/29/75/589792975.db2.gz KWKUQXDWTCYHSL-LSDHHAIUSA-N 1 1 339.436 0.694 20 30 ECEDMO Cc1nsc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1C#N ZINC000861093818 589823439 /nfs/dbraw/zinc/82/34/39/589823439.db2.gz HKHFEEJABATITO-NSHDSACASA-N 1 1 336.421 0.785 20 30 ECEDMO CCS(=O)(=O)C1(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000867985951 589866660 /nfs/dbraw/zinc/86/66/60/589866660.db2.gz SDLRBJYSVVWZLQ-HNNXBMFYSA-N 1 1 347.440 0.829 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000861838205 589897779 /nfs/dbraw/zinc/89/77/79/589897779.db2.gz UYJFUJNKTASFHC-UHFFFAOYSA-N 1 1 343.427 0.844 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C#Cc2cccs2)CC1=O ZINC000868386866 589899647 /nfs/dbraw/zinc/89/96/47/589899647.db2.gz JPUQEMAAAAUPAY-CQSZACIVSA-N 1 1 349.456 0.395 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000862196747 589930906 /nfs/dbraw/zinc/93/09/06/589930906.db2.gz UQLHDEHCWFVUCB-GFCCVEGCSA-N 1 1 327.344 0.360 20 30 ECEDMO COCCN(C)c1ccc(C=[NH+]N[C@H]2CCCS(=O)(=O)C2)cn1 ZINC000863133688 589990395 /nfs/dbraw/zinc/99/03/95/589990395.db2.gz MIPRBKZMLDDATK-AWEZNQCLSA-N 1 1 340.449 0.665 20 30 ECEDMO N#CCc1ccc(CS(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000872616985 590133977 /nfs/dbraw/zinc/13/39/77/590133977.db2.gz HRNCPAGMYVUFPW-DLBZAZTESA-N 1 1 349.456 0.723 20 30 ECEDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000874832883 590254007 /nfs/dbraw/zinc/25/40/07/590254007.db2.gz HYBHIMKKRHZJRJ-HZPDHXFCSA-N 1 1 326.400 0.983 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000874991224 590261292 /nfs/dbraw/zinc/26/12/92/590261292.db2.gz XUGIQCREDQQHHQ-LSDHHAIUSA-N 1 1 347.415 0.687 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000875465391 590304027 /nfs/dbraw/zinc/30/40/27/590304027.db2.gz QBGCJHZQOFPSOZ-IRXDYDNUSA-N 1 1 343.427 0.532 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000875465391 590304028 /nfs/dbraw/zinc/30/40/28/590304028.db2.gz QBGCJHZQOFPSOZ-IRXDYDNUSA-N 1 1 343.427 0.532 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000875504037 590306184 /nfs/dbraw/zinc/30/61/84/590306184.db2.gz MZWPPXFGSAKXGU-GOEBONIOSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000875600211 590313282 /nfs/dbraw/zinc/31/32/82/590313282.db2.gz WQJQXHZADGKNHA-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C[C@H]2C1=O ZINC000879533635 590320049 /nfs/dbraw/zinc/32/00/49/590320049.db2.gz RCHAIFDOGXZLHX-OKILXGFUSA-N 1 1 326.356 0.433 20 30 ECEDMO C[C@H]1NC(=O)N(CC[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000879586428 590326249 /nfs/dbraw/zinc/32/62/49/590326249.db2.gz MDLIRIJGPLPFBI-CYBMUJFWSA-N 1 1 327.388 0.621 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](CC)[C@H](CO)c2ccccc2)CC1 ZINC000880461624 590394428 /nfs/dbraw/zinc/39/44/28/590394428.db2.gz LDKXPPVODPTZJK-GOSISDBHSA-N 1 1 329.444 0.819 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CC)[C@H](CO)c2ccccc2)CC1 ZINC000880461624 590394432 /nfs/dbraw/zinc/39/44/32/590394432.db2.gz LDKXPPVODPTZJK-GOSISDBHSA-N 1 1 329.444 0.819 20 30 ECEDMO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880581586 590408287 /nfs/dbraw/zinc/40/82/87/590408287.db2.gz FDIVPFYMGCZIIA-HOTGVXAUSA-N 1 1 329.400 0.948 20 30 ECEDMO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880581586 590408289 /nfs/dbraw/zinc/40/82/89/590408289.db2.gz FDIVPFYMGCZIIA-HOTGVXAUSA-N 1 1 329.400 0.948 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)n1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881116869 590437215 /nfs/dbraw/zinc/43/72/15/590437215.db2.gz HAYSNCNYOIWOBM-AWEZNQCLSA-N 1 1 334.424 0.476 20 30 ECEDMO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000877145998 590440948 /nfs/dbraw/zinc/44/09/48/590440948.db2.gz OMJCLEOOTHGSJT-CHWSQXEVSA-N 1 1 328.844 0.268 20 30 ECEDMO C#CC[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CCCC1 ZINC000878186614 590504080 /nfs/dbraw/zinc/50/40/80/590504080.db2.gz WCLSFHUKSRUHSC-UHFFFAOYSA-N 1 1 341.477 0.404 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879050610 590560627 /nfs/dbraw/zinc/56/06/27/590560627.db2.gz PKVBYJBHGSKYJY-AXAPSJFSSA-N 1 1 326.416 0.965 20 30 ECEDMO C#CCNC(=O)CC[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879080635 590563200 /nfs/dbraw/zinc/56/32/00/590563200.db2.gz NDZMTTDALJRJLK-ZDUSSCGKSA-N 1 1 327.425 0.286 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879083178 590563764 /nfs/dbraw/zinc/56/37/64/590563764.db2.gz HYHFBIGPNHPSGM-CHWSQXEVSA-N 1 1 327.425 0.284 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879083178 590563766 /nfs/dbraw/zinc/56/37/66/590563766.db2.gz HYHFBIGPNHPSGM-CHWSQXEVSA-N 1 1 327.425 0.284 20 30 ECEDMO C=C(C)C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000882893825 590595952 /nfs/dbraw/zinc/59/59/52/590595952.db2.gz CUXSPYVLPXPQTH-OAGGEKHMSA-N 1 1 337.464 0.763 20 30 ECEDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000883899718 590680065 /nfs/dbraw/zinc/68/00/65/590680065.db2.gz XFXREGFWDOHBTJ-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO N#CCCc1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000885281167 590703633 /nfs/dbraw/zinc/70/36/33/590703633.db2.gz WPRANZVUYJIBFA-LSDHHAIUSA-N 1 1 335.429 0.582 20 30 ECEDMO N#CCCc1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000885281167 590703637 /nfs/dbraw/zinc/70/36/37/590703637.db2.gz WPRANZVUYJIBFA-LSDHHAIUSA-N 1 1 335.429 0.582 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(C(=O)NC)cc2)C1 ZINC000884048853 590719168 /nfs/dbraw/zinc/71/91/68/590719168.db2.gz XZMKBEUJPSONNI-MRXNPFEDSA-N 1 1 328.416 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C(=O)NC)cc2)C1 ZINC000884048853 590719172 /nfs/dbraw/zinc/71/91/72/590719172.db2.gz XZMKBEUJPSONNI-MRXNPFEDSA-N 1 1 328.416 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCN(CC)S(C)(=O)=O)C1 ZINC000884087419 590736630 /nfs/dbraw/zinc/73/66/30/590736630.db2.gz BVKUPWSBDQGNOW-CQSZACIVSA-N 1 1 344.481 0.055 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCN(CC)S(C)(=O)=O)C1 ZINC000884087419 590736631 /nfs/dbraw/zinc/73/66/31/590736631.db2.gz BVKUPWSBDQGNOW-CQSZACIVSA-N 1 1 344.481 0.055 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](CC)C(=O)N2CCOCC2)C1 ZINC000884208872 590775716 /nfs/dbraw/zinc/77/57/16/590775716.db2.gz MGLOZDKRKWULHD-CABCVRRESA-N 1 1 336.436 0.021 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CC)C(=O)N2CCOCC2)C1 ZINC000884208872 590775719 /nfs/dbraw/zinc/77/57/19/590775719.db2.gz MGLOZDKRKWULHD-CABCVRRESA-N 1 1 336.436 0.021 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2COC3(CCOCC3)O2)C1 ZINC000884258759 590790368 /nfs/dbraw/zinc/79/03/68/590790368.db2.gz CWHZFPBFHKETKX-LSDHHAIUSA-N 1 1 337.420 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2COC3(CCOCC3)O2)C1 ZINC000884258759 590790370 /nfs/dbraw/zinc/79/03/70/590790370.db2.gz CWHZFPBFHKETKX-LSDHHAIUSA-N 1 1 337.420 0.305 20 30 ECEDMO C#CC[C@H]1CC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000886359736 590835567 /nfs/dbraw/zinc/83/55/67/590835567.db2.gz JGDOPFXJSAVBAC-ZDUSSCGKSA-N 1 1 346.431 0.313 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000886359736 590835570 /nfs/dbraw/zinc/83/55/70/590835570.db2.gz JGDOPFXJSAVBAC-ZDUSSCGKSA-N 1 1 346.431 0.313 20 30 ECEDMO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc(CC#N)n3)C2)C1 ZINC000890297495 590959768 /nfs/dbraw/zinc/95/97/68/590959768.db2.gz TUGWAHOPIAYCQP-KRWDZBQOSA-N 1 1 327.388 0.640 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)C1 ZINC000890362822 591150427 /nfs/dbraw/zinc/15/04/27/591150427.db2.gz IFOJQPSYYXQKSE-LSDHHAIUSA-N 1 1 347.463 0.877 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)C1 ZINC000890362822 591150428 /nfs/dbraw/zinc/15/04/28/591150428.db2.gz IFOJQPSYYXQKSE-LSDHHAIUSA-N 1 1 347.463 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000890370989 591152575 /nfs/dbraw/zinc/15/25/75/591152575.db2.gz KAEQUJVNSRAWFW-MSOLQXFVSA-N 1 1 348.491 0.980 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000890370989 591152578 /nfs/dbraw/zinc/15/25/78/591152578.db2.gz KAEQUJVNSRAWFW-MSOLQXFVSA-N 1 1 348.491 0.980 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000922628614 611356661 /nfs/dbraw/zinc/35/66/61/611356661.db2.gz GMMREUGXFOMQST-CYBMUJFWSA-N 1 1 340.424 0.792 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946654064 611391357 /nfs/dbraw/zinc/39/13/57/611391357.db2.gz VIZBCVXBDUXWAG-IYBDPMFKSA-N 1 1 338.473 0.615 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000930126459 611393072 /nfs/dbraw/zinc/39/30/72/611393072.db2.gz JDXBVHUSBUBYHO-AWEZNQCLSA-N 1 1 326.356 0.233 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000930126459 611393074 /nfs/dbraw/zinc/39/30/74/611393074.db2.gz JDXBVHUSBUBYHO-AWEZNQCLSA-N 1 1 326.356 0.233 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)CC[C@@H]2C1 ZINC000946707411 611427907 /nfs/dbraw/zinc/42/79/07/611427907.db2.gz PRJJPTUXPCAPGG-IYBDPMFKSA-N 1 1 342.443 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC000946989886 611430787 /nfs/dbraw/zinc/43/07/87/611430787.db2.gz NIVAURPLZGVAPU-QOKNQOGYSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC000946989886 611430790 /nfs/dbraw/zinc/43/07/90/611430790.db2.gz NIVAURPLZGVAPU-QOKNQOGYSA-N 1 1 345.443 0.228 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CCn1cncn1 ZINC000947170333 611440642 /nfs/dbraw/zinc/44/06/42/611440642.db2.gz FNCFRILVEPYYHK-GXTWGEPZSA-N 1 1 327.392 0.761 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)CC[C@@H]2C1 ZINC000946735196 611442665 /nfs/dbraw/zinc/44/26/65/611442665.db2.gz IFHOBEBPNNHZRK-HRCADAONSA-N 1 1 341.459 0.724 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1=O ZINC000925278247 611464710 /nfs/dbraw/zinc/46/47/10/611464710.db2.gz QQWNKJSTZZLJQN-KBPBESRZSA-N 1 1 346.456 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@H](Cc3ccccc3O)C2=O)C1 ZINC000925315527 611468193 /nfs/dbraw/zinc/46/81/93/611468193.db2.gz BZCMKIOGQSSPIO-LSDHHAIUSA-N 1 1 327.384 0.953 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@H](Cc3ccccc3O)C2=O)C1 ZINC000925315527 611468197 /nfs/dbraw/zinc/46/81/97/611468197.db2.gz BZCMKIOGQSSPIO-LSDHHAIUSA-N 1 1 327.384 0.953 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnnn4CC3)CC[C@@H]2C1 ZINC000946790413 611480480 /nfs/dbraw/zinc/48/04/80/611480480.db2.gz LIIFGXJKFMWVNU-OAGGEKHMSA-N 1 1 342.447 0.429 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000946796983 611486406 /nfs/dbraw/zinc/48/64/06/611486406.db2.gz VOLDTNDSIPGJRW-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC000931091923 611505687 /nfs/dbraw/zinc/50/56/87/611505687.db2.gz AHXMJUHGFHRJPS-CQSZACIVSA-N 1 1 332.404 0.463 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000948293085 611505776 /nfs/dbraw/zinc/50/57/76/611505776.db2.gz OGASGHZSVWDQSP-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC1(O)CC[NH+]([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000931146899 611511038 /nfs/dbraw/zinc/51/10/38/611511038.db2.gz MLRFHJFEMMQFRH-GJZGRUSLSA-N 1 1 344.411 0.791 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000926146062 611520426 /nfs/dbraw/zinc/52/04/26/611520426.db2.gz JBPYEXBJRQNCGJ-UTXMOHQDSA-N 1 1 333.436 0.674 20 30 ECEDMO N#CC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 ZINC000931333062 611531155 /nfs/dbraw/zinc/53/11/55/611531155.db2.gz VBGXPBITROOKOK-PPCPHDFISA-N 1 1 331.338 0.992 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000931405001 611537545 /nfs/dbraw/zinc/53/75/45/611537545.db2.gz DSZLOMVWVYQCFL-RDJZCZTQSA-N 1 1 330.432 0.930 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@H+](C)[C@H](CO)C1 ZINC000931405001 611537543 /nfs/dbraw/zinc/53/75/43/611537543.db2.gz DSZLOMVWVYQCFL-RDJZCZTQSA-N 1 1 330.432 0.930 20 30 ECEDMO COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000931669018 611564215 /nfs/dbraw/zinc/56/42/15/611564215.db2.gz WKTUHLNRCUPKFN-HNNXBMFYSA-N 1 1 333.388 0.542 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000948440753 611597765 /nfs/dbraw/zinc/59/77/65/611597765.db2.gz FPYCVOOUNAGVLW-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1C ZINC000947567096 611599701 /nfs/dbraw/zinc/59/97/01/611599701.db2.gz BGHLBRNWMMKZIT-KBPBESRZSA-N 1 1 339.403 0.663 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C ZINC000947568287 611599852 /nfs/dbraw/zinc/59/98/52/611599852.db2.gz KPDBNPXVGNMNJS-OLZOCXBDSA-N 1 1 325.376 0.273 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C ZINC000947567777 611599870 /nfs/dbraw/zinc/59/98/70/611599870.db2.gz HVVGNLNNDYBYMC-CHWSQXEVSA-N 1 1 327.392 0.826 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C)c1 ZINC000947675619 611646147 /nfs/dbraw/zinc/64/61/47/611646147.db2.gz JUBCFQODSTWRSH-IUODEOHRSA-N 1 1 342.399 0.061 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C)c1 ZINC000947675619 611646148 /nfs/dbraw/zinc/64/61/48/611646148.db2.gz JUBCFQODSTWRSH-IUODEOHRSA-N 1 1 342.399 0.061 20 30 ECEDMO CCOC(=O)[C@H]1CCN(CC#CC[N@H+]2CC[C@H](C(=O)OCC)C2)C1 ZINC000932640907 611647053 /nfs/dbraw/zinc/64/70/53/611647053.db2.gz DIHKGIPZNLKFRX-HOTGVXAUSA-N 1 1 336.432 0.760 20 30 ECEDMO N#Cc1cccc(OCCC[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1 ZINC000933101884 608713741 /nfs/dbraw/zinc/71/37/41/608713741.db2.gz VNRWSMQORDNJEJ-CQSZACIVSA-N 1 1 336.417 0.161 20 30 ECEDMO N#Cc1cccc(OCCC[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1 ZINC000933101884 608713745 /nfs/dbraw/zinc/71/37/45/608713745.db2.gz VNRWSMQORDNJEJ-CQSZACIVSA-N 1 1 336.417 0.161 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000948561307 611654912 /nfs/dbraw/zinc/65/49/12/611654912.db2.gz JXFJUFCRYVUUKD-INIZCTEOSA-N 1 1 334.464 0.097 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000948562056 611654998 /nfs/dbraw/zinc/65/49/98/611654998.db2.gz QCAGHFJANRJHCB-CABCVRRESA-N 1 1 345.447 0.882 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932690083 611655911 /nfs/dbraw/zinc/65/59/11/611655911.db2.gz GFXSDNPHQYEPGD-QGZVFWFLSA-N 1 1 339.436 0.478 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)n3)[C@@H](C)C2)nn1 ZINC000947791466 608737975 /nfs/dbraw/zinc/73/79/75/608737975.db2.gz CEMBDRLNRBVMPD-KBPBESRZSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)n3)[C@@H](C)C2)nn1 ZINC000947791466 608737978 /nfs/dbraw/zinc/73/79/78/608737978.db2.gz CEMBDRLNRBVMPD-KBPBESRZSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cncn3C)[C@@H](C)C2)nn1 ZINC000947792080 608740939 /nfs/dbraw/zinc/74/09/39/608740939.db2.gz IEZIYZGZDNZFOV-KBPBESRZSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2c[nH]nc2C)CC1 ZINC000947228676 608758009 /nfs/dbraw/zinc/75/80/09/608758009.db2.gz URIMHCWRTLZYHI-INIZCTEOSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2c[nH]nc2C)CC1 ZINC000947228676 608758010 /nfs/dbraw/zinc/75/80/10/608758010.db2.gz URIMHCWRTLZYHI-INIZCTEOSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000947228774 608780261 /nfs/dbraw/zinc/78/02/61/608780261.db2.gz YNTKSDZEQFULDT-SJORKVTESA-N 1 1 346.475 0.285 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC000948581849 611660347 /nfs/dbraw/zinc/66/03/47/611660347.db2.gz FYUNUTXOPXQZHY-IAQYHMDHSA-N 1 1 340.387 0.668 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H](C)C2)c1 ZINC000947710168 611662220 /nfs/dbraw/zinc/66/22/20/611662220.db2.gz KWIHVOXSFKXVAX-YOEHRIQHSA-N 1 1 338.415 0.937 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@H](C)C2)c1 ZINC000947710438 611662282 /nfs/dbraw/zinc/66/22/82/611662282.db2.gz MTTVZTVJMQYJBD-CJNGLKHVSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@H](C)C2)c1 ZINC000947710438 611662285 /nfs/dbraw/zinc/66/22/85/611662285.db2.gz MTTVZTVJMQYJBD-CJNGLKHVSA-N 1 1 338.415 0.974 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C ZINC000947711225 608930577 /nfs/dbraw/zinc/93/05/77/608930577.db2.gz UDHGCKKUUHBDRI-GHMZBOCLSA-N 1 1 341.437 0.216 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937066101 608947473 /nfs/dbraw/zinc/94/74/73/608947473.db2.gz SYOLSWGBHCKINX-ZIAGYGMSSA-N 1 1 329.404 0.511 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)CC[N@H+]1C ZINC000937130821 608992534 /nfs/dbraw/zinc/99/25/34/608992534.db2.gz HIRNFYSQHPYAOQ-HJWJTTGWSA-N 1 1 329.444 0.942 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC000937696993 609013808 /nfs/dbraw/zinc/01/38/08/609013808.db2.gz JIFARXCUWBBDNO-HOCLYGCPSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC000937696993 609013810 /nfs/dbraw/zinc/01/38/10/609013810.db2.gz JIFARXCUWBBDNO-HOCLYGCPSA-N 1 1 343.431 0.400 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937194737 609031339 /nfs/dbraw/zinc/03/13/39/609031339.db2.gz AHFYMJDZWORQEO-GJZGRUSLSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000947772755 611683663 /nfs/dbraw/zinc/68/36/63/611683663.db2.gz PQEKTCRMOLRPFL-WQVCFCJDSA-N 1 1 343.431 0.392 20 30 ECEDMO C=CCCC[C@@H]1NC(=O)N(C2CC[NH+](CC(=O)N(C)C)CC2)C1=O ZINC000924617710 609084977 /nfs/dbraw/zinc/08/49/77/609084977.db2.gz WLGIPOJXRIXCCD-AWEZNQCLSA-N 1 1 336.436 0.816 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937795651 609089104 /nfs/dbraw/zinc/08/91/04/609089104.db2.gz DMAMIHIRMNTFRS-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1C ZINC000936406916 609122212 /nfs/dbraw/zinc/12/22/12/609122212.db2.gz UTNNENPCPSJGBD-ZOBUZTSGSA-N 1 1 340.427 0.548 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1C ZINC000936406916 609122214 /nfs/dbraw/zinc/12/22/14/609122214.db2.gz UTNNENPCPSJGBD-ZOBUZTSGSA-N 1 1 340.427 0.548 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000937970905 609442303 /nfs/dbraw/zinc/44/23/03/609442303.db2.gz NDCFNYYHSAMGFY-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO CCO[C@H]1CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000932975935 611697277 /nfs/dbraw/zinc/69/72/77/611697277.db2.gz OTOXYSWVYLKFNR-AWEZNQCLSA-N 1 1 347.419 0.614 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCOCC2)C1 ZINC000938170085 609481470 /nfs/dbraw/zinc/48/14/70/609481470.db2.gz DHSCNEMKQKSFCV-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCOCC2)C1 ZINC000938170085 609481471 /nfs/dbraw/zinc/48/14/71/609481471.db2.gz DHSCNEMKQKSFCV-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](OC)C(C)C)C1 ZINC000938170293 609481662 /nfs/dbraw/zinc/48/16/62/609481662.db2.gz GCGJWDMFTIITEJ-JYJNAYRXSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](OC)C(C)C)C1 ZINC000938170293 609481665 /nfs/dbraw/zinc/48/16/65/609481665.db2.gz GCGJWDMFTIITEJ-JYJNAYRXSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000938170333 609481702 /nfs/dbraw/zinc/48/17/02/609481702.db2.gz GMZKPYQJZBMLHS-TXPKVOOTSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000938170333 609481705 /nfs/dbraw/zinc/48/17/05/609481705.db2.gz GMZKPYQJZBMLHS-TXPKVOOTSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC2=CCOCC2)C1 ZINC000938171258 609483923 /nfs/dbraw/zinc/48/39/23/609483923.db2.gz ZPANYTUPLKKLBJ-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC2=CCOCC2)C1 ZINC000938171258 609483924 /nfs/dbraw/zinc/48/39/24/609483924.db2.gz ZPANYTUPLKKLBJ-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]nc2CC)C1 ZINC000938236228 609560146 /nfs/dbraw/zinc/56/01/46/609560146.db2.gz HJIGQQXHBNLNPS-BBRMVZONSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]nc2CC)C1 ZINC000938236228 609560148 /nfs/dbraw/zinc/56/01/48/609560148.db2.gz HJIGQQXHBNLNPS-BBRMVZONSA-N 1 1 343.431 0.400 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000908014102 609637363 /nfs/dbraw/zinc/63/73/63/609637363.db2.gz WSOKACRLGXBZHV-VXGBXAGGSA-N 1 1 341.458 0.839 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000908014102 609637365 /nfs/dbraw/zinc/63/73/65/609637365.db2.gz WSOKACRLGXBZHV-VXGBXAGGSA-N 1 1 341.458 0.839 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)o1 ZINC000908016589 609637767 /nfs/dbraw/zinc/63/77/67/609637767.db2.gz XPEJDVHTSGVVPZ-STQMWFEESA-N 1 1 325.390 0.371 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)o1 ZINC000908016589 609637768 /nfs/dbraw/zinc/63/77/68/609637768.db2.gz XPEJDVHTSGVVPZ-STQMWFEESA-N 1 1 325.390 0.371 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cn2)C1 ZINC000908215505 609648039 /nfs/dbraw/zinc/64/80/39/609648039.db2.gz YSIRLOUNKSSGTK-AWEZNQCLSA-N 1 1 330.388 0.845 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cn2)C1 ZINC000908215505 609648040 /nfs/dbraw/zinc/64/80/40/609648040.db2.gz YSIRLOUNKSSGTK-AWEZNQCLSA-N 1 1 330.388 0.845 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000908345309 609651320 /nfs/dbraw/zinc/65/13/20/609651320.db2.gz CRVSVGXOPJXBLI-MRXNPFEDSA-N 1 1 343.431 0.426 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000908348151 609651344 /nfs/dbraw/zinc/65/13/44/609651344.db2.gz UPGYCHPFVSEOOZ-CKEIUWERSA-N 1 1 330.388 0.388 20 30 ECEDMO CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2CCCN(O)C2=O)CC1 ZINC000908405070 609652996 /nfs/dbraw/zinc/65/29/96/609652996.db2.gz CTVGSJSJTWPRMI-CQSZACIVSA-N 1 1 326.441 0.289 20 30 ECEDMO C=CCn1c(-c2cccnn2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000908710035 609658631 /nfs/dbraw/zinc/65/86/31/609658631.db2.gz JMSQQKRHKNRBOE-CQSZACIVSA-N 1 1 341.419 0.832 20 30 ECEDMO Cc1ncc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1C#N ZINC000919981320 609667971 /nfs/dbraw/zinc/66/79/71/609667971.db2.gz KZHFTYCLSFFDJU-IUODEOHRSA-N 1 1 337.449 0.174 20 30 ECEDMO Cc1ncc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1C#N ZINC000919981320 609667973 /nfs/dbraw/zinc/66/79/73/609667973.db2.gz KZHFTYCLSFFDJU-IUODEOHRSA-N 1 1 337.449 0.174 20 30 ECEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)c1 ZINC000920257523 609676426 /nfs/dbraw/zinc/67/64/26/609676426.db2.gz BMLBFGTUTUKOPR-UHFFFAOYSA-N 1 1 330.388 0.317 20 30 ECEDMO C=CCC[C@@H]1NC(=O)N(CC2([NH+]3CCOCC3)CCOCC2)C1=O ZINC000927622283 609702262 /nfs/dbraw/zinc/70/22/62/609702262.db2.gz HTWLXAJDROIVCO-AWEZNQCLSA-N 1 1 337.420 0.754 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)N2CCc3ccccc3C2)CC1 ZINC000921439583 609716960 /nfs/dbraw/zinc/71/69/60/609716960.db2.gz DVHGJJAEOWFFGX-UHFFFAOYSA-N 1 1 333.457 0.977 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)c2cccc(C#CCO)c2)CC[N@@H+](C)C1 ZINC000910413191 609719931 /nfs/dbraw/zinc/71/99/31/609719931.db2.gz KMPQMDCSMUXXHO-MRXNPFEDSA-N 1 1 330.384 0.207 20 30 ECEDMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000910731565 609753650 /nfs/dbraw/zinc/75/36/50/609753650.db2.gz MQKLVFKACVEVCM-HZPDHXFCSA-N 1 1 344.415 0.260 20 30 ECEDMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000910731565 609753651 /nfs/dbraw/zinc/75/36/51/609753651.db2.gz MQKLVFKACVEVCM-HZPDHXFCSA-N 1 1 344.415 0.260 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000938372215 609758979 /nfs/dbraw/zinc/75/89/79/609758979.db2.gz GICCCCZFKVCKPN-CVEARBPZSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000938291550 609760871 /nfs/dbraw/zinc/76/08/71/609760871.db2.gz OUQSQOCVPDJMOB-ZNMIVQPWSA-N 1 1 332.404 0.500 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929752588 609815916 /nfs/dbraw/zinc/81/59/16/609815916.db2.gz MDOAEBXPLCWOSX-KBPBESRZSA-N 1 1 341.477 0.079 20 30 ECEDMO CC(C)N1CC[NH+](CCCC(=O)N2CCN(CCC#N)CC2)CC1 ZINC000913761278 609819762 /nfs/dbraw/zinc/81/97/62/609819762.db2.gz FMEYSWKVYUPNKF-UHFFFAOYSA-N 1 1 335.496 0.850 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000938613123 609900225 /nfs/dbraw/zinc/90/02/25/609900225.db2.gz QMXILMBFOXEAPY-BPLDGKMQSA-N 1 1 343.431 0.899 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3csc(C#N)c3)[C@@H]2C1 ZINC000915432493 609912406 /nfs/dbraw/zinc/91/24/06/609912406.db2.gz UHHFXEDDPGEBFR-ZIAGYGMSSA-N 1 1 341.458 0.854 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)Cc2noc(C)c2C#N)C1 ZINC000911859246 609916210 /nfs/dbraw/zinc/91/62/10/609916210.db2.gz GMZZIELYBLBCHF-UHFFFAOYSA-N 1 1 336.392 0.203 20 30 ECEDMO N#Cc1cc(Cl)c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c(Cl)c1 ZINC000913183959 610047268 /nfs/dbraw/zinc/04/72/68/610047268.db2.gz WMAFNFHCGSRSKA-CQSZACIVSA-N 1 1 344.198 0.946 20 30 ECEDMO C=CCOc1cc(OC)ccc1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913186056 610047606 /nfs/dbraw/zinc/04/76/06/610047606.db2.gz YIDKAOADALRYDN-QGZVFWFLSA-N 1 1 336.388 0.341 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC000938928834 610048064 /nfs/dbraw/zinc/04/80/64/610048064.db2.gz JMQRTJNISXMZSY-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC000938928834 610048066 /nfs/dbraw/zinc/04/80/66/610048066.db2.gz JMQRTJNISXMZSY-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000939697951 610089313 /nfs/dbraw/zinc/08/93/13/610089313.db2.gz FKPJFNWNHSBEDH-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ncccn3)C2)nn1 ZINC000939277074 610146438 /nfs/dbraw/zinc/14/64/38/610146438.db2.gz KJMLFQOOKVEFPU-QWHCGFSZSA-N 1 1 327.392 0.504 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939933852 610170776 /nfs/dbraw/zinc/17/07/76/610170776.db2.gz DMAMIHIRMNTFRS-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)c1 ZINC000940011435 610185554 /nfs/dbraw/zinc/18/55/54/610185554.db2.gz XCGHHEZGEZNLSS-UKPHBRMFSA-N 1 1 340.427 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccnn2)C1 ZINC000939445952 610201204 /nfs/dbraw/zinc/20/12/04/610201204.db2.gz YYPNIEJQGVFVQR-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccnn2)C1 ZINC000939445952 610201206 /nfs/dbraw/zinc/20/12/06/610201206.db2.gz YYPNIEJQGVFVQR-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CC(OCC)C2)C1 ZINC000940264639 610253434 /nfs/dbraw/zinc/25/34/34/610253434.db2.gz JHXCMWMMAYWJAM-MYBQVCMBSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CC(OCC)C2)C1 ZINC000940264639 610253435 /nfs/dbraw/zinc/25/34/35/610253435.db2.gz JHXCMWMMAYWJAM-MYBQVCMBSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(C)nn2)C1 ZINC000940347148 610270523 /nfs/dbraw/zinc/27/05/23/610270523.db2.gz RRVOAWAJGOGETJ-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(C)nn2)C1 ZINC000940347148 610270524 /nfs/dbraw/zinc/27/05/24/610270524.db2.gz RRVOAWAJGOGETJ-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC000941412751 610302487 /nfs/dbraw/zinc/30/24/87/610302487.db2.gz KZOUWHXRWCSSHP-UHFFFAOYSA-N 1 1 327.432 0.295 20 30 ECEDMO C=CCCN1CC(N2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941414351 610303341 /nfs/dbraw/zinc/30/33/41/610303341.db2.gz REZBUFLKFVGTFM-WMZOPIPTSA-N 1 1 348.491 0.254 20 30 ECEDMO C=CCCN1CC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941414351 610303343 /nfs/dbraw/zinc/30/33/43/610303343.db2.gz REZBUFLKFVGTFM-WMZOPIPTSA-N 1 1 348.491 0.254 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccnn3C(C)C)CC2)C1 ZINC000941421921 610307335 /nfs/dbraw/zinc/30/73/35/610307335.db2.gz DOQBNWMIYRPODJ-UHFFFAOYSA-N 1 1 329.448 0.929 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3cc(C4CC4)no3)CC2)C1 ZINC000941433527 610313724 /nfs/dbraw/zinc/31/37/24/610313724.db2.gz YTZJKDNXGTVJIZ-UHFFFAOYSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cn3cc(C4CC4)nn3)CC2)C1 ZINC000941437091 610314586 /nfs/dbraw/zinc/31/45/86/610314586.db2.gz RNWPGSLKIMXXEK-UHFFFAOYSA-N 1 1 342.447 0.007 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)C1 ZINC000941437117 610315160 /nfs/dbraw/zinc/31/51/60/610315160.db2.gz SCTGQXFHBIDJRJ-LJQANCHMSA-N 1 1 344.503 0.855 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940656533 610326326 /nfs/dbraw/zinc/32/63/26/610326326.db2.gz DCPBBHPYPKLGLC-KBPBESRZSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940665347 610328125 /nfs/dbraw/zinc/32/81/25/610328125.db2.gz UZQGYBFWTZVICR-KBPBESRZSA-N 1 1 331.420 0.981 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940692615 610332751 /nfs/dbraw/zinc/33/27/51/610332751.db2.gz AUIBWWXCPNHBNR-LSDHHAIUSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2c[nH]nc2C)CC1 ZINC000941465963 610334370 /nfs/dbraw/zinc/33/43/70/610334370.db2.gz YTSDTUKFSLIGRF-INIZCTEOSA-N 1 1 343.431 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2c[nH]nc2C)CC1 ZINC000941465963 610334371 /nfs/dbraw/zinc/33/43/71/610334371.db2.gz YTSDTUKFSLIGRF-INIZCTEOSA-N 1 1 343.431 0.490 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC000941465872 610334483 /nfs/dbraw/zinc/33/44/83/610334483.db2.gz UCCAIKVBJQSMPB-IRXDYDNUSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC000941465872 610334484 /nfs/dbraw/zinc/33/44/84/610334484.db2.gz UCCAIKVBJQSMPB-IRXDYDNUSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC000941481481 610335679 /nfs/dbraw/zinc/33/56/79/610335679.db2.gz YRPQICBCGCXYPP-MRXNPFEDSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](OC)c3cnn(C)c3)CC2)C1 ZINC000941502345 610345691 /nfs/dbraw/zinc/34/56/91/610345691.db2.gz QXWUVCMMBPDKMJ-INIZCTEOSA-N 1 1 333.436 0.122 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000940746225 610347337 /nfs/dbraw/zinc/34/73/37/610347337.db2.gz LVOOLESNIALOLK-OAGGEKHMSA-N 1 1 346.431 0.890 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940786348 610361751 /nfs/dbraw/zinc/36/17/51/610361751.db2.gz VGZUDLWUUGSOHK-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC000941564133 610384582 /nfs/dbraw/zinc/38/45/82/610384582.db2.gz ZEYURKRLSLPUGZ-UHFFFAOYSA-N 1 1 332.404 0.397 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4ccncc4C3)CC2)C1 ZINC000941566282 610386094 /nfs/dbraw/zinc/38/60/94/610386094.db2.gz AAGVHMNGUUWHAU-INIZCTEOSA-N 1 1 326.444 0.811 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](C)C1 ZINC000942313092 610392800 /nfs/dbraw/zinc/39/28/00/610392800.db2.gz FJRPSSKBPRAPQE-ZIAGYGMSSA-N 1 1 334.420 0.742 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC000941586862 610396459 /nfs/dbraw/zinc/39/64/59/610396459.db2.gz DIRKGKLIJZUENN-UHFFFAOYSA-N 1 1 335.839 0.388 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940847438 610398556 /nfs/dbraw/zinc/39/85/56/610398556.db2.gz XIPHWXUKGONZHZ-KGLIPLIRSA-N 1 1 345.447 0.786 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@H]3CC)CC2)C1 ZINC000941632886 610419244 /nfs/dbraw/zinc/41/92/44/610419244.db2.gz VNLXDGITLWKGMH-OAHLLOKOSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc4nccn4c3)CC2)C1 ZINC000941634117 610419474 /nfs/dbraw/zinc/41/94/74/610419474.db2.gz DXTIPJDFJBVDFN-UHFFFAOYSA-N 1 1 337.427 0.800 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC000941639393 610424436 /nfs/dbraw/zinc/42/44/36/610424436.db2.gz QZSJIDZKBROYMB-AWEZNQCLSA-N 1 1 329.448 0.529 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3cnn(C)c3)CC2)C1 ZINC000941677385 610450394 /nfs/dbraw/zinc/45/03/94/610450394.db2.gz NZEGFBQLLQHBTB-UHFFFAOYSA-N 1 1 329.448 0.204 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000941668238 610458565 /nfs/dbraw/zinc/45/85/65/610458565.db2.gz IZOOBABRAYQJOV-UHFFFAOYSA-N 1 1 337.855 0.772 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CN(C)c3ccccc3)CC2)C1 ZINC000941682066 610461208 /nfs/dbraw/zinc/46/12/08/610461208.db2.gz DNGGRUYZBSIHRG-UHFFFAOYSA-N 1 1 340.471 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CCCC2)[C@H](OC)C1 ZINC000940973119 610462582 /nfs/dbraw/zinc/46/25/82/610462582.db2.gz XDWWGOOKSJZQSR-IXDOHACOSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CCCC2)[C@H](OC)C1 ZINC000940973119 610462583 /nfs/dbraw/zinc/46/25/83/610462583.db2.gz XDWWGOOKSJZQSR-IXDOHACOSA-N 1 1 347.459 0.616 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1NC(=O)C(N)=O ZINC000940994771 610474984 /nfs/dbraw/zinc/47/49/84/610474984.db2.gz YRVZIBKOKGKAIS-HNNXBMFYSA-N 1 1 344.415 0.791 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](C)C1 ZINC000942548634 610508681 /nfs/dbraw/zinc/50/86/81/610508681.db2.gz WJINQLYHZDEXAA-YPMHNXCESA-N 1 1 344.423 0.710 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 ZINC000941068905 610525208 /nfs/dbraw/zinc/52/52/08/610525208.db2.gz VPHLFSKUIOECPX-CQSZACIVSA-N 1 1 348.447 0.490 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941090232 610531159 /nfs/dbraw/zinc/53/11/59/610531159.db2.gz AKLDWVRWEQNUOV-KGLIPLIRSA-N 1 1 341.477 0.260 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966559 610588259 /nfs/dbraw/zinc/58/82/59/610588259.db2.gz MIAVAHMVONBFDZ-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000942002787 610609081 /nfs/dbraw/zinc/60/90/81/610609081.db2.gz QNOPRNXFUYHUEW-DTZQCDIJSA-N 1 1 333.432 0.082 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000941246035 610617153 /nfs/dbraw/zinc/61/71/53/610617153.db2.gz ZTKLFWGPCLGATR-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](OC)C2CC2)C1 ZINC000941237722 610621318 /nfs/dbraw/zinc/62/13/18/610621318.db2.gz HPLDZPVTRRIPGP-OWCLPIDISA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](OC)C2CC2)C1 ZINC000941237722 610621320 /nfs/dbraw/zinc/62/13/20/610621320.db2.gz HPLDZPVTRRIPGP-OWCLPIDISA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000941237856 610621374 /nfs/dbraw/zinc/62/13/74/610621374.db2.gz KXVNHXQWKPOHMO-CABCVRRESA-N 1 1 333.432 0.106 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000941237856 610621377 /nfs/dbraw/zinc/62/13/77/610621377.db2.gz KXVNHXQWKPOHMO-CABCVRRESA-N 1 1 333.432 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000941237721 610621408 /nfs/dbraw/zinc/62/14/08/610621408.db2.gz HPBRFBYYKFTNSG-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000941237721 610621411 /nfs/dbraw/zinc/62/14/11/610621411.db2.gz HPBRFBYYKFTNSG-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942055821 610634525 /nfs/dbraw/zinc/63/45/25/610634525.db2.gz CJJPHNWDGVLZHZ-DOTOQJQBSA-N 1 1 338.415 0.551 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)[C@H]2CCCO2)C1 ZINC000942827399 610636051 /nfs/dbraw/zinc/63/60/51/610636051.db2.gz XXERQFUXAZOBEY-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)[C@H]2CCCO2)C1 ZINC000942827399 610636053 /nfs/dbraw/zinc/63/60/53/610636053.db2.gz XXERQFUXAZOBEY-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 ZINC000942061037 610637832 /nfs/dbraw/zinc/63/78/32/610637832.db2.gz HVRSKAJFXFIRND-CHWSQXEVSA-N 1 1 334.424 0.170 20 30 ECEDMO CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000942852626 610658159 /nfs/dbraw/zinc/65/81/59/610658159.db2.gz RRNVNTDRPMAKNH-STQMWFEESA-N 1 1 347.419 0.959 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@H](C)C1 ZINC000942893538 610669502 /nfs/dbraw/zinc/66/95/02/610669502.db2.gz KNQCPFFXQNUKPR-HIFRSBDPSA-N 1 1 328.416 0.952 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H](C)C1 ZINC000942208474 610696951 /nfs/dbraw/zinc/69/69/51/610696951.db2.gz PKKGERBEWOAADQ-CHWSQXEVSA-N 1 1 330.392 0.946 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@H](C)C1 ZINC000942220610 610701286 /nfs/dbraw/zinc/70/12/86/610701286.db2.gz UJQINKWVSQFWOW-NVXWUHKLSA-N 1 1 345.443 0.958 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)C1 ZINC000941410412 610719949 /nfs/dbraw/zinc/71/99/49/610719949.db2.gz GSOMYRTUZCSPOA-MRXNPFEDSA-N 1 1 341.459 0.681 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941404665 610721083 /nfs/dbraw/zinc/72/10/83/610721083.db2.gz MISISTVSBZENJF-GOSISDBHSA-N 1 1 332.492 0.711 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccnc3nc(C)nn32)[C@H](C)C1 ZINC000944134341 610751356 /nfs/dbraw/zinc/75/13/56/610751356.db2.gz CUAMIFANUVAJFV-OCCSQVGLSA-N 1 1 326.404 0.896 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]2C)nc1 ZINC000944193502 610776594 /nfs/dbraw/zinc/77/65/94/610776594.db2.gz WOCVFLCEDCNTHC-CZUORRHYSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](C)C1 ZINC000945177971 610933710 /nfs/dbraw/zinc/93/37/10/610933710.db2.gz DLKAHFZQOKOAGF-UONOGXRCSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](C)SC)CC1 ZINC000944574106 610983016 /nfs/dbraw/zinc/98/30/16/610983016.db2.gz IQPJIZWBEDEAOH-ZFWWWQNUSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](C)SC)CC1 ZINC000944574106 610983019 /nfs/dbraw/zinc/98/30/19/610983019.db2.gz IQPJIZWBEDEAOH-ZFWWWQNUSA-N 1 1 337.489 0.943 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000945287239 611004283 /nfs/dbraw/zinc/00/42/83/611004283.db2.gz PWPAHPWCTWMPPF-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000944605549 611020834 /nfs/dbraw/zinc/02/08/34/611020834.db2.gz KYROCJGYGKHTCY-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC000943938720 611048555 /nfs/dbraw/zinc/04/85/55/611048555.db2.gz AXSWSPFUIIIAME-UONOGXRCSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC2(C)CC2)CCO1 ZINC000944644323 611049881 /nfs/dbraw/zinc/04/98/81/611049881.db2.gz IVLNJWXGIOJWRW-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC2(C)CC2)CCO1 ZINC000944644323 611049885 /nfs/dbraw/zinc/04/98/85/611049885.db2.gz IVLNJWXGIOJWRW-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCC2CC2)CCO1 ZINC000944648642 611057252 /nfs/dbraw/zinc/05/72/52/611057252.db2.gz WBTOLEKSNFQLFN-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCC2CC2)CCO1 ZINC000944648642 611057255 /nfs/dbraw/zinc/05/72/55/611057255.db2.gz WBTOLEKSNFQLFN-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C)C1 ZINC000943986148 611069685 /nfs/dbraw/zinc/06/96/85/611069685.db2.gz CWCPOONWYDEQKN-QWHCGFSZSA-N 1 1 336.436 0.720 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C)C1 ZINC000943986176 611069714 /nfs/dbraw/zinc/06/97/14/611069714.db2.gz DJLYRTJIZYFLTN-QWHCGFSZSA-N 1 1 336.436 0.720 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 ZINC000943988537 611071268 /nfs/dbraw/zinc/07/12/68/611071268.db2.gz QPXRNLHDCOVLDY-OLZOCXBDSA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1CC(OC)C1 ZINC000944085693 611119742 /nfs/dbraw/zinc/11/97/42/611119742.db2.gz SWYQDCAFHSZKEC-MYBQVCMBSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1CC(OC)C1 ZINC000944085693 611119744 /nfs/dbraw/zinc/11/97/44/611119744.db2.gz SWYQDCAFHSZKEC-MYBQVCMBSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC000944100867 611124114 /nfs/dbraw/zinc/12/41/14/611124114.db2.gz SWOHMGMHZMWJGZ-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC000944100867 611124116 /nfs/dbraw/zinc/12/41/16/611124116.db2.gz SWOHMGMHZMWJGZ-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccns1 ZINC000944100780 611131700 /nfs/dbraw/zinc/13/17/00/611131700.db2.gz OLHPHEKVYGXFTF-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccns1 ZINC000944100780 611131701 /nfs/dbraw/zinc/13/17/01/611131701.db2.gz OLHPHEKVYGXFTF-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cncnc1 ZINC000944100032 611131842 /nfs/dbraw/zinc/13/18/42/611131842.db2.gz LTNAGUAVDSASER-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cncnc1 ZINC000944100032 611131843 /nfs/dbraw/zinc/13/18/43/611131843.db2.gz LTNAGUAVDSASER-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2c(OC)ncnc2OC)[C@@H](C)C1 ZINC000945942033 611162614 /nfs/dbraw/zinc/16/26/14/611162614.db2.gz HICWXHCDDOBFJE-STQMWFEESA-N 1 1 332.404 0.957 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(N)=O)CC[C@@H]2C1 ZINC000946857036 611199946 /nfs/dbraw/zinc/19/99/46/611199946.db2.gz YOXCLKVXQAAQTJ-XHSDSOJGSA-N 1 1 332.448 0.723 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923282285 611224393 /nfs/dbraw/zinc/22/43/93/611224393.db2.gz MBWXUCDZYWDAOW-MSOLQXFVSA-N 1 1 342.443 0.735 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000923282285 611224394 /nfs/dbraw/zinc/22/43/94/611224394.db2.gz MBWXUCDZYWDAOW-MSOLQXFVSA-N 1 1 342.443 0.735 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000923282285 611224395 /nfs/dbraw/zinc/22/43/95/611224395.db2.gz MBWXUCDZYWDAOW-MSOLQXFVSA-N 1 1 342.443 0.735 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000946080841 611224930 /nfs/dbraw/zinc/22/49/30/611224930.db2.gz WZBLTTLPJOJWKR-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3C(C)=O)CC[C@@H]2C1 ZINC000946897195 611237543 /nfs/dbraw/zinc/23/75/43/611237543.db2.gz WXXVODHELGHORE-IXDOHACOSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CCN(C(=O)NCCS(=O)(=O)CC1CC1)C1CC[NH+](C)CC1 ZINC000921519580 611245334 /nfs/dbraw/zinc/24/53/34/611245334.db2.gz DVGGRKIBMKFUIM-UHFFFAOYSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CCCS1(=O)=O)C1CC[NH+](C)CC1 ZINC000921518860 611245344 /nfs/dbraw/zinc/24/53/44/611245344.db2.gz FGPKYCWVOUUQFY-AWEZNQCLSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000923487760 611249392 /nfs/dbraw/zinc/24/93/92/611249392.db2.gz HFFLFOCXJVHZRB-MAPUTHEBSA-N 1 1 337.464 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(F)cc2F)C1 ZINC000923566869 611262706 /nfs/dbraw/zinc/26/27/06/611262706.db2.gz UGCVLXAZYKQLBE-CYBMUJFWSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(F)cc2F)C1 ZINC000923566869 611262707 /nfs/dbraw/zinc/26/27/07/611262707.db2.gz UGCVLXAZYKQLBE-CYBMUJFWSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000923590956 611270913 /nfs/dbraw/zinc/27/09/13/611270913.db2.gz JIKYYKKUXLRTPH-ZDUSSCGKSA-N 1 1 334.420 0.311 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000923590956 611270914 /nfs/dbraw/zinc/27/09/14/611270914.db2.gz JIKYYKKUXLRTPH-ZDUSSCGKSA-N 1 1 334.420 0.311 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)C1 ZINC000923594020 611275051 /nfs/dbraw/zinc/27/50/51/611275051.db2.gz FNWJQICNKDTIRB-AWEZNQCLSA-N 1 1 327.384 0.869 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)C1 ZINC000923594020 611275054 /nfs/dbraw/zinc/27/50/54/611275054.db2.gz FNWJQICNKDTIRB-AWEZNQCLSA-N 1 1 327.384 0.869 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000923594371 611278978 /nfs/dbraw/zinc/27/89/78/611278978.db2.gz JPOQPXNCTWSNPF-CQSZACIVSA-N 1 1 335.429 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000923594371 611278980 /nfs/dbraw/zinc/27/89/80/611278980.db2.gz JPOQPXNCTWSNPF-CQSZACIVSA-N 1 1 335.429 0.422 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C2)nc1 ZINC000947947720 611294574 /nfs/dbraw/zinc/29/45/74/611294574.db2.gz JACRFYFUUWBANI-ZFWWWQNUSA-N 1 1 328.416 0.734 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2CC1 ZINC000946514727 611294874 /nfs/dbraw/zinc/29/48/74/611294874.db2.gz MUXCEDSSDGTMTG-OAGGEKHMSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000948599755 611303689 /nfs/dbraw/zinc/30/36/89/611303689.db2.gz YTMVIRAUXCJTQH-LSDHHAIUSA-N 1 1 326.462 0.757 20 30 ECEDMO COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCC(C)(C)CC#N)C[C@@H]1C ZINC000834853228 611304302 /nfs/dbraw/zinc/30/43/02/611304302.db2.gz FOSPNJLZZZMWTG-OKILXGFUSA-N 1 1 338.452 0.610 20 30 ECEDMO COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCC(C)(C)CC#N)C[C@@H]1C ZINC000834853228 611304304 /nfs/dbraw/zinc/30/43/04/611304304.db2.gz FOSPNJLZZZMWTG-OKILXGFUSA-N 1 1 338.452 0.610 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921911699 611325824 /nfs/dbraw/zinc/32/58/24/611325824.db2.gz RSFYHKKWTRZEHU-GXTWGEPZSA-N 1 1 330.454 0.308 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H](C)C2)nc1 ZINC000947936476 611747552 /nfs/dbraw/zinc/74/75/52/611747552.db2.gz VZENWEFYIPPGOI-GOEBONIOSA-N 1 1 340.427 0.878 20 30 ECEDMO CO[C@H]1CC[C@@H]1[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000934118883 611770141 /nfs/dbraw/zinc/77/01/41/611770141.db2.gz QQMCXFKVZUNBNQ-GJZGRUSLSA-N 1 1 347.419 0.613 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000950648140 611816195 /nfs/dbraw/zinc/81/61/95/611816195.db2.gz BWQVALJFZYEZPV-WQVCFCJDSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000950648140 611816197 /nfs/dbraw/zinc/81/61/97/611816197.db2.gz BWQVALJFZYEZPV-WQVCFCJDSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2nonc2C)C1 ZINC000950648682 611816726 /nfs/dbraw/zinc/81/67/26/611816726.db2.gz YPAGCTBFLNTUCT-BNOWGMLFSA-N 1 1 345.403 0.052 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2nonc2C)C1 ZINC000950648682 611816727 /nfs/dbraw/zinc/81/67/27/611816727.db2.gz YPAGCTBFLNTUCT-BNOWGMLFSA-N 1 1 345.403 0.052 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC000949957083 611828495 /nfs/dbraw/zinc/82/84/95/611828495.db2.gz OXTBFNJFGVXTIY-HOTGVXAUSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC000949957083 611828498 /nfs/dbraw/zinc/82/84/98/611828498.db2.gz OXTBFNJFGVXTIY-HOTGVXAUSA-N 1 1 343.431 0.239 20 30 ECEDMO Cn1ccc(=O)c(C(=O)N2CCOC3(CC[NH+](CC#N)CC3)C2)c1 ZINC000949135296 611869126 /nfs/dbraw/zinc/86/91/26/611869126.db2.gz JGNLJASWNBMVQR-UHFFFAOYSA-N 1 1 330.388 0.216 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1C ZINC000949173738 611888207 /nfs/dbraw/zinc/88/82/07/611888207.db2.gz ANAJKNUWVFDTIR-OIISXLGYSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1C ZINC000949173738 611888208 /nfs/dbraw/zinc/88/82/08/611888208.db2.gz ANAJKNUWVFDTIR-OIISXLGYSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(C)n1C ZINC000950753586 611888937 /nfs/dbraw/zinc/88/89/37/611888937.db2.gz LMBOFQKLOOHDGM-HOTGVXAUSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(C)n1C ZINC000950753586 611888938 /nfs/dbraw/zinc/88/89/38/611888938.db2.gz LMBOFQKLOOHDGM-HOTGVXAUSA-N 1 1 342.443 0.762 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000950231706 611916697 /nfs/dbraw/zinc/91/66/97/611916697.db2.gz PJLSRRJHHSKEBG-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)CCn3cncn3)CC2)C1 ZINC000949299040 611932007 /nfs/dbraw/zinc/93/20/07/611932007.db2.gz YXYMLPLXJQETMV-UHFFFAOYSA-N 1 1 331.420 0.385 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)CCn3cncn3)CC2)C1 ZINC000949299040 611932009 /nfs/dbraw/zinc/93/20/09/611932009.db2.gz YXYMLPLXJQETMV-UHFFFAOYSA-N 1 1 331.420 0.385 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC000949340257 611944443 /nfs/dbraw/zinc/94/44/43/611944443.db2.gz GWNFTXHDFFUUCV-OAHLLOKOSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000950854021 611946517 /nfs/dbraw/zinc/94/65/17/611946517.db2.gz CBBRIYORDQCFPO-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC000949362650 611952927 /nfs/dbraw/zinc/95/29/27/611952927.db2.gz UBWUVXMWZILSNA-UHFFFAOYSA-N 1 1 330.432 0.679 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC000949362650 611952928 /nfs/dbraw/zinc/95/29/28/611952928.db2.gz UBWUVXMWZILSNA-UHFFFAOYSA-N 1 1 330.432 0.679 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000950290500 611957675 /nfs/dbraw/zinc/95/76/75/611957675.db2.gz OGRPAJWXKUSPOG-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000950290500 611957676 /nfs/dbraw/zinc/95/76/76/611957676.db2.gz OGRPAJWXKUSPOG-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC000949412533 611969892 /nfs/dbraw/zinc/96/98/92/611969892.db2.gz YABIACPLHQLJSI-MRXNPFEDSA-N 1 1 347.459 0.762 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC000949412533 611969895 /nfs/dbraw/zinc/96/98/95/611969895.db2.gz YABIACPLHQLJSI-MRXNPFEDSA-N 1 1 347.459 0.762 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949446995 611983555 /nfs/dbraw/zinc/98/35/55/611983555.db2.gz JDZKCFIZCUVPFU-SFHVURJKSA-N 1 1 347.459 0.619 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949446995 611983557 /nfs/dbraw/zinc/98/35/57/611983557.db2.gz JDZKCFIZCUVPFU-SFHVURJKSA-N 1 1 347.459 0.619 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000949452123 611986250 /nfs/dbraw/zinc/98/62/50/611986250.db2.gz GORDMMRKUPBHJH-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1 ZINC000949464190 611989533 /nfs/dbraw/zinc/98/95/33/611989533.db2.gz YJNJQLGSIJEVND-UHFFFAOYSA-N 1 1 332.404 0.456 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1 ZINC000949464190 611989535 /nfs/dbraw/zinc/98/95/35/611989535.db2.gz YJNJQLGSIJEVND-UHFFFAOYSA-N 1 1 332.404 0.456 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC000949470503 611991101 /nfs/dbraw/zinc/99/11/01/611991101.db2.gz BDIQPCBXNMEUJI-CVEARBPZSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC000949472809 611992701 /nfs/dbraw/zinc/99/27/01/611992701.db2.gz OBWTWAKFIYVZPQ-CVEARBPZSA-N 1 1 347.459 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1csnc1C ZINC000949494210 612005607 /nfs/dbraw/zinc/00/56/07/612005607.db2.gz IPBXRDBSQYKSBN-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1csnc1C ZINC000949494210 612005610 /nfs/dbraw/zinc/00/56/10/612005610.db2.gz IPBXRDBSQYKSBN-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000949498556 612008490 /nfs/dbraw/zinc/00/84/90/612008490.db2.gz SYUWBAFNJHGAGQ-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C[C@@H](C)O)CCO3)nc1 ZINC000949509081 612014247 /nfs/dbraw/zinc/01/42/47/612014247.db2.gz KWVSSPQNRFEXHY-OAHLLOKOSA-N 1 1 343.427 0.751 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)C(=O)Nc3cc(C)on3)CC2)C1 ZINC000949523484 612019399 /nfs/dbraw/zinc/01/93/99/612019399.db2.gz QSSAIASYYGUDFC-UHFFFAOYSA-N 1 1 348.403 0.801 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)C(=O)Nc3cc(C)on3)CC2)C1 ZINC000949523484 612019401 /nfs/dbraw/zinc/01/94/01/612019401.db2.gz QSSAIASYYGUDFC-UHFFFAOYSA-N 1 1 348.403 0.801 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000949523612 612019648 /nfs/dbraw/zinc/01/96/48/612019648.db2.gz VMDLASJCWQBZJV-UHFFFAOYSA-N 1 1 349.431 0.405 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnc(C)cn2)C1 ZINC000950534446 612057996 /nfs/dbraw/zinc/05/79/96/612057996.db2.gz VLEJRBDTFZAEIE-SFHVURJKSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnc(C)cn2)C1 ZINC000950534446 612057997 /nfs/dbraw/zinc/05/79/97/612057997.db2.gz VLEJRBDTFZAEIE-SFHVURJKSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nnc(C)s2)C1 ZINC000950533804 612058081 /nfs/dbraw/zinc/05/80/81/612058081.db2.gz NBTBNPPGHYWEBB-HNNXBMFYSA-N 1 1 347.488 0.977 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nnc(C)s2)C1 ZINC000950533804 612058082 /nfs/dbraw/zinc/05/80/82/612058082.db2.gz NBTBNPPGHYWEBB-HNNXBMFYSA-N 1 1 347.488 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cn(C)nc2C)C1 ZINC000950534742 612058261 /nfs/dbraw/zinc/05/82/61/612058261.db2.gz ZBOHOVMEQZDAQZ-SFHVURJKSA-N 1 1 343.475 0.859 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cn(C)nc2C)C1 ZINC000950534742 612058262 /nfs/dbraw/zinc/05/82/62/612058262.db2.gz ZBOHOVMEQZDAQZ-SFHVURJKSA-N 1 1 343.475 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)C(F)F ZINC000952739447 612086452 /nfs/dbraw/zinc/08/64/52/612086452.db2.gz LLLCBLPYTXJYMZ-MJBXVCDLSA-N 1 1 339.386 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)C(F)F ZINC000952739447 612086454 /nfs/dbraw/zinc/08/64/54/612086454.db2.gz LLLCBLPYTXJYMZ-MJBXVCDLSA-N 1 1 339.386 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)OC ZINC000952739130 612086578 /nfs/dbraw/zinc/08/65/78/612086578.db2.gz YUDDFZNXAUTZBA-NXOAAHMSSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)OC ZINC000952739130 612086580 /nfs/dbraw/zinc/08/65/80/612086580.db2.gz YUDDFZNXAUTZBA-NXOAAHMSSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cncnc2)C1 ZINC000951223951 612089074 /nfs/dbraw/zinc/08/90/74/612089074.db2.gz UDKLQRKNMDBJDI-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cncnc2)C1 ZINC000951223951 612089076 /nfs/dbraw/zinc/08/90/76/612089076.db2.gz UDKLQRKNMDBJDI-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccnnc2)C1 ZINC000951224179 612089478 /nfs/dbraw/zinc/08/94/78/612089478.db2.gz YZYQMVRFHIALIP-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccnnc2)C1 ZINC000951224179 612089482 /nfs/dbraw/zinc/08/94/82/612089482.db2.gz YZYQMVRFHIALIP-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000951957643 612152678 /nfs/dbraw/zinc/15/26/78/612152678.db2.gz GIENXIPBVPXFCM-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)nc1 ZINC000951378603 612195063 /nfs/dbraw/zinc/19/50/63/612195063.db2.gz XBJFFUGPOUVPRT-GJZGRUSLSA-N 1 1 326.400 0.345 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000952154235 612253281 /nfs/dbraw/zinc/25/32/81/612253281.db2.gz MBJFAAXUSADQGY-OLZOCXBDSA-N 1 1 345.403 0.761 20 30 ECEDMO C=CCn1cccc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954545799 612389490 /nfs/dbraw/zinc/38/94/90/612389490.db2.gz KXVZEBRDANKDIH-INIZCTEOSA-N 1 1 346.431 0.288 20 30 ECEDMO C=CCn1cccc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954545799 612389494 /nfs/dbraw/zinc/38/94/94/612389494.db2.gz KXVZEBRDANKDIH-INIZCTEOSA-N 1 1 346.431 0.288 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000955339498 612459868 /nfs/dbraw/zinc/45/98/68/612459868.db2.gz CJVJALOUISJHNH-UHFFFAOYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000954630318 612466938 /nfs/dbraw/zinc/46/69/38/612466938.db2.gz AZQJBEOEVVJXLM-HNNXBMFYSA-N 1 1 342.399 0.168 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000954630318 612466941 /nfs/dbraw/zinc/46/69/41/612466941.db2.gz AZQJBEOEVVJXLM-HNNXBMFYSA-N 1 1 342.399 0.168 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2csc(C)n2)C1 ZINC000954631264 612469200 /nfs/dbraw/zinc/46/92/00/612469200.db2.gz TZWRHCVTJPVXNI-HNNXBMFYSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2csc(C)n2)C1 ZINC000954631264 612469203 /nfs/dbraw/zinc/46/92/03/612469203.db2.gz TZWRHCVTJPVXNI-HNNXBMFYSA-N 1 1 346.456 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC000955345615 612474551 /nfs/dbraw/zinc/47/45/51/612474551.db2.gz WZHVUWHVJRLTSR-CQSZACIVSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000953959542 612498450 /nfs/dbraw/zinc/49/84/50/612498450.db2.gz JBWIQPQNSQIYME-KRWDZBQOSA-N 1 1 341.411 0.281 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000953959542 612498452 /nfs/dbraw/zinc/49/84/52/612498452.db2.gz JBWIQPQNSQIYME-KRWDZBQOSA-N 1 1 341.411 0.281 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000951721124 612506811 /nfs/dbraw/zinc/50/68/11/612506811.db2.gz MIEKVYZOGYRSHP-QEJZJMRPSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953994493 612532044 /nfs/dbraw/zinc/53/20/44/612532044.db2.gz PITSOPCJCIYEDR-INIZCTEOSA-N 1 1 339.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953994493 612532047 /nfs/dbraw/zinc/53/20/47/612532047.db2.gz PITSOPCJCIYEDR-INIZCTEOSA-N 1 1 339.399 0.267 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ocnc2C)C1 ZINC000956793438 612555693 /nfs/dbraw/zinc/55/56/93/612555693.db2.gz CIVRTCFTBXYQOM-KBXCAEBGSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ocnc2C)C1 ZINC000956793438 612555695 /nfs/dbraw/zinc/55/56/95/612555695.db2.gz CIVRTCFTBXYQOM-KBXCAEBGSA-N 1 1 344.415 0.801 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956802031 612565295 /nfs/dbraw/zinc/56/52/95/612565295.db2.gz FHBWUZNDWBYNLD-KRWDZBQOSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccn(C)c2)C1 ZINC000956821419 612585956 /nfs/dbraw/zinc/58/59/56/612585956.db2.gz NLBMBUFBGLRNJO-QFBILLFUSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccn(C)c2)C1 ZINC000956821419 612585958 /nfs/dbraw/zinc/58/59/58/612585958.db2.gz NLBMBUFBGLRNJO-QFBILLFUSA-N 1 1 342.443 0.844 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954106825 612669619 /nfs/dbraw/zinc/66/96/19/612669619.db2.gz KDIAQISTAGGHQM-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=COCCO1 ZINC000956073046 612676517 /nfs/dbraw/zinc/67/65/17/612676517.db2.gz ARGYHNRYQDPLAX-GJZGRUSLSA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=COCCO1 ZINC000956073046 612676518 /nfs/dbraw/zinc/67/65/18/612676518.db2.gz ARGYHNRYQDPLAX-GJZGRUSLSA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]nc1C ZINC000956072679 612676594 /nfs/dbraw/zinc/67/65/94/612676594.db2.gz FVJJPZHIJGZMEJ-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]nc1C ZINC000956072679 612676596 /nfs/dbraw/zinc/67/65/96/612676596.db2.gz FVJJPZHIJGZMEJ-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1oncc1C ZINC000956073064 612676675 /nfs/dbraw/zinc/67/66/75/612676675.db2.gz MFDAASDQJCGZIZ-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1oncc1C ZINC000956073064 612676677 /nfs/dbraw/zinc/67/66/77/612676677.db2.gz MFDAASDQJCGZIZ-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1cnoc1 ZINC000956166111 612750852 /nfs/dbraw/zinc/75/08/52/612750852.db2.gz AGGLPZWIKQFUSH-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1cnoc1 ZINC000956166111 612750855 /nfs/dbraw/zinc/75/08/55/612750855.db2.gz AGGLPZWIKQFUSH-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC000956256333 612802694 /nfs/dbraw/zinc/80/26/94/612802694.db2.gz KQIGYYHNCFXHQU-HOTGVXAUSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC000956256333 612802697 /nfs/dbraw/zinc/80/26/97/612802697.db2.gz KQIGYYHNCFXHQU-HOTGVXAUSA-N 1 1 343.431 0.157 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000954943129 612804958 /nfs/dbraw/zinc/80/49/58/612804958.db2.gz LGRIGZSWKRMJBI-KRWDZBQOSA-N 1 1 341.411 0.281 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000954943129 612804960 /nfs/dbraw/zinc/80/49/60/612804960.db2.gz LGRIGZSWKRMJBI-KRWDZBQOSA-N 1 1 341.411 0.281 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]cc2C)C1 ZINC000954317265 612845478 /nfs/dbraw/zinc/84/54/78/612845478.db2.gz XWLFWDRPYZLRMF-INIZCTEOSA-N 1 1 328.416 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]cc2C)C1 ZINC000954317265 612845481 /nfs/dbraw/zinc/84/54/81/612845481.db2.gz XWLFWDRPYZLRMF-INIZCTEOSA-N 1 1 328.416 0.704 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000956375160 612861497 /nfs/dbraw/zinc/86/14/97/612861497.db2.gz MBMLFVJVNFEMCP-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C#N)cc3C#N)CC[C@@H]2C1 ZINC001164855739 720845946 /nfs/dbraw/zinc/84/59/46/720845946.db2.gz UVIZYURHEADBDR-WBVHZDCISA-N 1 1 341.415 0.998 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3cncc(CC#N)n3)CC[C@H]2C1 ZINC001164855415 720869726 /nfs/dbraw/zinc/86/97/26/720869726.db2.gz MDRSVDVIBBLVKN-GOEBONIOSA-N 1 1 331.420 0.716 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C)nc3C#N)CC[C@@H]2C1 ZINC001164860214 720870533 /nfs/dbraw/zinc/87/05/33/720870533.db2.gz VZHBNESLYVILQC-GDBMZVCRSA-N 1 1 331.420 0.830 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)COc2ccc(OC)cc2)CC1 ZINC001098560983 735449824 /nfs/dbraw/zinc/44/98/24/735449824.db2.gz LFEVNEQRLUIOBX-UHFFFAOYSA-N 1 1 346.427 0.993 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4c(cnn4C)c3)[C@H]2C1 ZINC001083234864 735461071 /nfs/dbraw/zinc/46/10/71/735461071.db2.gz ZNDFCTKNDRVQRH-LSDHHAIUSA-N 1 1 327.388 0.680 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4c(cnn4C)c3)[C@H]2C1 ZINC001083234864 735461074 /nfs/dbraw/zinc/46/10/74/735461074.db2.gz ZNDFCTKNDRVQRH-LSDHHAIUSA-N 1 1 327.388 0.680 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001078048201 782210602 /nfs/dbraw/zinc/21/06/02/782210602.db2.gz CUSCPSONHNSCBV-IAGOWNOFSA-N 1 1 329.400 0.372 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001078048201 782210607 /nfs/dbraw/zinc/21/06/07/782210607.db2.gz CUSCPSONHNSCBV-IAGOWNOFSA-N 1 1 329.400 0.372 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3csnn3)C2)C1=O ZINC000972025486 735522646 /nfs/dbraw/zinc/52/26/46/735522646.db2.gz SIIKOUSRRWZHBO-AAEUAGOBSA-N 1 1 335.433 0.471 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000969137330 731514025 /nfs/dbraw/zinc/51/40/25/731514025.db2.gz XJWVRBKCUWDBBI-SJORKVTESA-N 1 1 335.448 0.618 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N(CCO)CCNc1cnc(C#N)cn1 ZINC001111582939 731619821 /nfs/dbraw/zinc/61/98/21/731619821.db2.gz YAASLWNCSAKSFI-OAHLLOKOSA-N 1 1 346.435 0.455 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001041794102 782222651 /nfs/dbraw/zinc/22/26/51/782222651.db2.gz AVFBDAMQDWZZID-DFBGVHRSSA-N 1 1 328.420 0.692 20 30 ECEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)CCCC1 ZINC001211492554 731668941 /nfs/dbraw/zinc/66/89/41/731668941.db2.gz DSKAOSAEJHTHGA-CHWSQXEVSA-N 1 1 336.436 0.754 20 30 ECEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)CCCC1 ZINC001211492554 731668945 /nfs/dbraw/zinc/66/89/45/731668945.db2.gz DSKAOSAEJHTHGA-CHWSQXEVSA-N 1 1 336.436 0.754 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H](n2ccnn2)C1 ZINC001069979457 790272525 /nfs/dbraw/zinc/27/25/25/790272525.db2.gz HYUYVTVCLOJDRK-YPMHNXCESA-N 1 1 349.826 0.896 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H](n2ccnn2)C1 ZINC001069979457 790272527 /nfs/dbraw/zinc/27/25/27/790272527.db2.gz HYUYVTVCLOJDRK-YPMHNXCESA-N 1 1 349.826 0.896 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1COCCO1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969321458 731717839 /nfs/dbraw/zinc/71/78/39/731717839.db2.gz DOMFCBRMBFWOBD-YJBOKZPZSA-N 1 1 328.412 0.890 20 30 ECEDMO C[C@H](NC(=O)[C@H]1COCCO1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969325172 731722812 /nfs/dbraw/zinc/72/28/12/731722812.db2.gz ZOCJZHZFKIEJIA-XHDPSFHLSA-N 1 1 335.429 0.972 20 30 ECEDMO CC1(C)C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973007496 738534927 /nfs/dbraw/zinc/53/49/27/738534927.db2.gz YEZFLBOKIBKRKF-OLZOCXBDSA-N 1 1 343.387 0.132 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973007496 738534932 /nfs/dbraw/zinc/53/49/32/738534932.db2.gz YEZFLBOKIBKRKF-OLZOCXBDSA-N 1 1 343.387 0.132 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C)nn3C)C2)C1=O ZINC000969366639 731769243 /nfs/dbraw/zinc/76/92/43/731769243.db2.gz XZJCMNZAUDNCOL-HIFRSBDPSA-N 1 1 345.447 0.566 20 30 ECEDMO CC1(C)C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973006859 738536713 /nfs/dbraw/zinc/53/67/13/738536713.db2.gz VIPJRCZHWGMXAI-CQSZACIVSA-N 1 1 344.419 0.352 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973009808 738540507 /nfs/dbraw/zinc/54/05/07/738540507.db2.gz KPHVZXXJQSRBEL-BXUZGUMPSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973009808 738540511 /nfs/dbraw/zinc/54/05/11/738540511.db2.gz KPHVZXXJQSRBEL-BXUZGUMPSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000969409425 731815699 /nfs/dbraw/zinc/81/56/99/731815699.db2.gz GXONUBDECSKPHO-BDJLRTHQSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)CNC(=O)C1 ZINC000969440548 731881147 /nfs/dbraw/zinc/88/11/47/731881147.db2.gz RPMZWBHNRRQGCR-QAPCUYQASA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000969505729 731934616 /nfs/dbraw/zinc/93/46/16/731934616.db2.gz DKJKSMGCJRUTIW-QWRGUYRKSA-N 1 1 329.404 0.604 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000969566219 731973682 /nfs/dbraw/zinc/97/36/82/731973682.db2.gz JQTBALILBRBYRE-CABCVRRESA-N 1 1 330.363 0.524 20 30 ECEDMO CN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973048837 738581857 /nfs/dbraw/zinc/58/18/57/738581857.db2.gz VEMZXZRQTVLDGH-KBPBESRZSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973048837 738581858 /nfs/dbraw/zinc/58/18/58/738581858.db2.gz VEMZXZRQTVLDGH-KBPBESRZSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973048840 738582154 /nfs/dbraw/zinc/58/21/54/738582154.db2.gz VEMZXZRQTVLDGH-ZIAGYGMSSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973048840 738582159 /nfs/dbraw/zinc/58/21/59/738582159.db2.gz VEMZXZRQTVLDGH-ZIAGYGMSSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cnn(CC)n2)C1 ZINC000969867615 732462639 /nfs/dbraw/zinc/46/26/39/732462639.db2.gz CRFZMOLUIRLHDS-PBHICJAKSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cnn(CC)n2)C1 ZINC000969867615 732462641 /nfs/dbraw/zinc/46/26/41/732462641.db2.gz CRFZMOLUIRLHDS-PBHICJAKSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000969866667 732465212 /nfs/dbraw/zinc/46/52/12/732465212.db2.gz YWXPEANUDGYQIH-RDJZCZTQSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ccn(C)n2)C1 ZINC000969869668 732467600 /nfs/dbraw/zinc/46/76/00/732467600.db2.gz SBZRMFHTVADVBX-YOEHRIQHSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ccn(C)n2)C1 ZINC000969869668 732467605 /nfs/dbraw/zinc/46/76/05/732467605.db2.gz SBZRMFHTVADVBX-YOEHRIQHSA-N 1 1 329.448 0.454 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CCOCCCOC)CC1 ZINC001098526788 732581911 /nfs/dbraw/zinc/58/19/11/732581911.db2.gz OXKMEQOSQVZGLI-UHFFFAOYSA-N 1 1 328.453 0.901 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](CC)OC)C[C@H]1O ZINC001078081967 782273757 /nfs/dbraw/zinc/27/37/57/782273757.db2.gz ADJXUUUTTCCSFV-KZNAEPCWSA-N 1 1 330.428 0.797 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nnc4c3CCCC4)[C@H]2C1 ZINC001083196113 732938757 /nfs/dbraw/zinc/93/87/57/732938757.db2.gz GCVDZMOKZZEGGB-DLBZAZTESA-N 1 1 343.431 0.092 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001125320587 732957559 /nfs/dbraw/zinc/95/75/59/732957559.db2.gz JNQFQWHFMPQOEG-AWEZNQCLSA-N 1 1 346.435 0.088 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)CC1 ZINC001039114381 732959876 /nfs/dbraw/zinc/95/98/76/732959876.db2.gz ZCEHVHFFNKJGMG-UKRRQHHQSA-N 1 1 341.477 0.751 20 30 ECEDMO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078097777 782298474 /nfs/dbraw/zinc/29/84/74/782298474.db2.gz JARONWSRDJGSBM-HZPDHXFCSA-N 1 1 339.399 0.819 20 30 ECEDMO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078097777 782298484 /nfs/dbraw/zinc/29/84/84/782298484.db2.gz JARONWSRDJGSBM-HZPDHXFCSA-N 1 1 339.399 0.819 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C[C@H](C)N2CCCC2=O)CC1 ZINC001098530590 733022698 /nfs/dbraw/zinc/02/26/98/733022698.db2.gz DPGCFQBAXIYLDN-HNNXBMFYSA-N 1 1 335.448 0.306 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CNc2ccncc2C#N)C(C)(C)C)C1 ZINC001125828117 738669744 /nfs/dbraw/zinc/66/97/44/738669744.db2.gz MDQPUTXAHMRIEN-CVEARBPZSA-N 1 1 345.447 0.649 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CNc2ccncc2C#N)C(C)(C)C)C1 ZINC001125828117 738669750 /nfs/dbraw/zinc/66/97/50/738669750.db2.gz MDQPUTXAHMRIEN-CVEARBPZSA-N 1 1 345.447 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C2)C1 ZINC001041842191 782322398 /nfs/dbraw/zinc/32/23/98/782322398.db2.gz COBXVTYBWSBFCT-QAPCUYQASA-N 1 1 327.432 0.707 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC000970206663 733201737 /nfs/dbraw/zinc/20/17/37/733201737.db2.gz HDEGNPAPVQJITA-LBPRGKRZSA-N 1 1 327.388 0.404 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)C2)C1 ZINC001041845460 782325497 /nfs/dbraw/zinc/32/54/97/782325497.db2.gz DKTOLOXNFZLWNH-KRWDZBQOSA-N 1 1 346.435 0.090 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2c(OC)cc[nH]c2=O)CC1 ZINC001098536565 733346507 /nfs/dbraw/zinc/34/65/07/733346507.db2.gz MJOUMSBAYGPCQF-UHFFFAOYSA-N 1 1 335.404 0.881 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC001041854447 782340834 /nfs/dbraw/zinc/34/08/34/782340834.db2.gz YZQUGZHYEVQVCC-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cc(C)ncc1C#N ZINC001104253269 733368238 /nfs/dbraw/zinc/36/82/38/733368238.db2.gz JPKLJLNZJVMVGW-KDOFPFPSSA-N 1 1 339.443 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cc(C)ncc1C#N ZINC001104253269 733368242 /nfs/dbraw/zinc/36/82/42/733368242.db2.gz JPKLJLNZJVMVGW-KDOFPFPSSA-N 1 1 339.443 0.945 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970353780 733403731 /nfs/dbraw/zinc/40/37/31/733403731.db2.gz GTDYZGUIAZQVIT-TVQRCGJNSA-N 1 1 333.417 0.238 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970359706 733412414 /nfs/dbraw/zinc/41/24/14/733412414.db2.gz VCSZUVLDJLPEIS-XHDPSFHLSA-N 1 1 327.388 0.176 20 30 ECEDMO C=C1CCC(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC000970378610 733443372 /nfs/dbraw/zinc/44/33/72/733443372.db2.gz XMNDYMCUCNRJAR-IUODEOHRSA-N 1 1 333.432 0.975 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNc2cncc(C#N)n2)CC1 ZINC001067471227 733455829 /nfs/dbraw/zinc/45/58/29/733455829.db2.gz WJRBPMBFKNDFEG-AWEZNQCLSA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNc2ccc(C#N)cn2)CC1 ZINC001067471231 733456419 /nfs/dbraw/zinc/45/64/19/733456419.db2.gz WNHDHFMTPLWZRW-OAHLLOKOSA-N 1 1 343.431 0.813 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC000970554484 733670815 /nfs/dbraw/zinc/67/08/15/733670815.db2.gz KOMFZMJQIDWKBJ-JSGCOSHPSA-N 1 1 331.420 0.555 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970569935 733683954 /nfs/dbraw/zinc/68/39/54/733683954.db2.gz FQEKXPPMUOSPTM-PVUWLOKVSA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3nocc3C)C2)C1=O ZINC000970703945 733848971 /nfs/dbraw/zinc/84/89/71/733848971.db2.gz AEEMEWKMYUCMKP-JSGCOSHPSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970714798 733863479 /nfs/dbraw/zinc/86/34/79/733863479.db2.gz SZNODWKTCJUJJF-GXTWGEPZSA-N 1 1 344.415 0.585 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000970814368 733969887 /nfs/dbraw/zinc/96/98/87/733969887.db2.gz PBPIJZWTIYOQAS-LLVKDONJSA-N 1 1 325.372 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CC2CCOCC2)C1 ZINC000973112940 738774803 /nfs/dbraw/zinc/77/48/03/738774803.db2.gz OXCRXXBZFQLMTK-ULQDDVLXSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CC2CCOCC2)C1 ZINC000973112940 738774805 /nfs/dbraw/zinc/77/48/05/738774805.db2.gz OXCRXXBZFQLMTK-ULQDDVLXSA-N 1 1 347.459 0.664 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC001041881107 782384709 /nfs/dbraw/zinc/38/47/09/782384709.db2.gz SXODRTKCKIVQRL-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CCCN(C)C(C)=O)CC1 ZINC001098547689 734302958 /nfs/dbraw/zinc/30/29/58/734302958.db2.gz GHNHSIQWEFJSDZ-UHFFFAOYSA-N 1 1 337.464 0.554 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3cn(C)nc3C)[C@H]2C1 ZINC001083213463 734339382 /nfs/dbraw/zinc/33/93/82/734339382.db2.gz BBGCWKNJZFQJCK-DLBZAZTESA-N 1 1 330.432 0.596 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 ZINC001104328285 734346470 /nfs/dbraw/zinc/34/64/70/734346470.db2.gz HDPOVDLLJIUJNN-CYBMUJFWSA-N 1 1 332.408 0.011 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000971210374 734362457 /nfs/dbraw/zinc/36/24/57/734362457.db2.gz GZBHGQFSCAYSGE-NWDGAFQWSA-N 1 1 335.408 0.009 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104334918 734395549 /nfs/dbraw/zinc/39/55/49/734395549.db2.gz QYIRYMZWQQWKHB-INIZCTEOSA-N 1 1 340.387 0.480 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001078165193 782412021 /nfs/dbraw/zinc/41/20/21/782412021.db2.gz VRXKNUUBZCBHAT-GDBMZVCRSA-N 1 1 327.388 0.249 20 30 ECEDMO Cc1cc(C#N)nc(NCCN(CCO)C(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001111489325 734410021 /nfs/dbraw/zinc/41/00/21/734410021.db2.gz TUOWCKHPTWAQPS-AWEZNQCLSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ocnc3C)C2)C1=O ZINC000971286351 734421939 /nfs/dbraw/zinc/42/19/39/734421939.db2.gz XEOBLZOYIRSESO-UONOGXRCSA-N 1 1 332.404 0.916 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3nnc[nH]3)C2)C1=O ZINC000971302213 734432012 /nfs/dbraw/zinc/43/20/12/734432012.db2.gz ULQYMWDKBDZKLQ-ZIAGYGMSSA-N 1 1 346.435 0.057 20 30 ECEDMO C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087151453 734473072 /nfs/dbraw/zinc/47/30/72/734473072.db2.gz QVAUKWVNFBWWNL-YPMHNXCESA-N 1 1 342.407 0.440 20 30 ECEDMO CN1CCC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000971375586 734487788 /nfs/dbraw/zinc/48/77/88/734487788.db2.gz BPRYLDBUNGGFBS-LSDHHAIUSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3ccnn3CC)C2)C1=O ZINC000971402916 734526552 /nfs/dbraw/zinc/52/65/52/734526552.db2.gz CVCLMFKPGWALKO-LSDHHAIUSA-N 1 1 345.447 0.836 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)CCO1)C1CCC1 ZINC001104352713 734600244 /nfs/dbraw/zinc/60/02/44/734600244.db2.gz FSVJDUQUSIFRHW-MRXNPFEDSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971452278 734611745 /nfs/dbraw/zinc/61/17/45/734611745.db2.gz PXYFCTZQCDJDQG-MFKMUULPSA-N 1 1 334.401 0.761 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104354257 734612102 /nfs/dbraw/zinc/61/21/02/734612102.db2.gz XYNXSVGULJERFC-BZUAXINKSA-N 1 1 349.479 0.185 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000947453688 734667713 /nfs/dbraw/zinc/66/77/13/734667713.db2.gz PHGHFZRZJYZCFC-UHFFFAOYSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CNC(=O)C2CCCCC2)CC1 ZINC001098555441 734895639 /nfs/dbraw/zinc/89/56/39/734895639.db2.gz JDYKJBRGJWOVJM-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC000971688239 734949310 /nfs/dbraw/zinc/94/93/10/734949310.db2.gz URCGRBNNTAIGIU-OAHLLOKOSA-N 1 1 345.447 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cn(CC)nn2)C1 ZINC000971703301 734964314 /nfs/dbraw/zinc/96/43/14/734964314.db2.gz CQSRGAPOKVGFJW-IRXDYDNUSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cn(CC)nn2)C1 ZINC000971703301 734964319 /nfs/dbraw/zinc/96/43/19/734964319.db2.gz CQSRGAPOKVGFJW-IRXDYDNUSA-N 1 1 344.463 0.428 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)Nc2ccncc2C#N)C1 ZINC001098215073 735212612 /nfs/dbraw/zinc/21/26/12/735212612.db2.gz FWABUGVKQWZTSJ-XJKSGUPXSA-N 1 1 331.420 0.401 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001078201733 782484626 /nfs/dbraw/zinc/48/46/26/782484626.db2.gz MDLYTYQQKKCBHC-HZPDHXFCSA-N 1 1 331.416 0.787 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000972112396 735656819 /nfs/dbraw/zinc/65/68/19/735656819.db2.gz PWXVSKVRIUQTNG-CYBMUJFWSA-N 1 1 343.366 0.567 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)CCC)CC1 ZINC001098563923 735660446 /nfs/dbraw/zinc/66/04/46/735660446.db2.gz DJQUXGGHXUYXNO-UHFFFAOYSA-N 1 1 346.493 0.673 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)C(C)C)CC1 ZINC001098563895 735661445 /nfs/dbraw/zinc/66/14/45/735661445.db2.gz BZJGRKZYYJAFJC-UHFFFAOYSA-N 1 1 344.477 0.118 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001069989233 790284054 /nfs/dbraw/zinc/28/40/54/790284054.db2.gz HLFQQWBFCKCKBC-YPMHNXCESA-N 1 1 332.364 0.506 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001058909124 751365574 /nfs/dbraw/zinc/36/55/74/751365574.db2.gz WSKLTKAUXIVHBC-JSGCOSHPSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001058909124 751365579 /nfs/dbraw/zinc/36/55/79/751365579.db2.gz WSKLTKAUXIVHBC-JSGCOSHPSA-N 1 1 330.392 0.082 20 30 ECEDMO Cn1nccc1CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972380563 736049360 /nfs/dbraw/zinc/04/93/60/736049360.db2.gz IUVDVYWWJGJYOZ-IBGZPJMESA-N 1 1 342.443 0.679 20 30 ECEDMO Cn1nccc1CC[N@H+]1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972380563 736049364 /nfs/dbraw/zinc/04/93/64/736049364.db2.gz IUVDVYWWJGJYOZ-IBGZPJMESA-N 1 1 342.443 0.679 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC000972384167 736052595 /nfs/dbraw/zinc/05/25/95/736052595.db2.gz FURBWUXRYJQKCF-OLZOCXBDSA-N 1 1 338.843 0.911 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC000972384167 736052598 /nfs/dbraw/zinc/05/25/98/736052598.db2.gz FURBWUXRYJQKCF-OLZOCXBDSA-N 1 1 338.843 0.911 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCc3sccc3C2)C1 ZINC001078219580 782510563 /nfs/dbraw/zinc/51/05/63/782510563.db2.gz HETWZWPYZYJEIR-HUUCEWRRSA-N 1 1 335.473 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394943 736118417 /nfs/dbraw/zinc/11/84/17/736118417.db2.gz UCDJJOOXYYAQKT-QGZVFWFLSA-N 1 1 342.403 0.617 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ccncn3)C2)C1 ZINC000972395000 736118486 /nfs/dbraw/zinc/11/84/86/736118486.db2.gz VIKOGFAJTUQHRE-GOSISDBHSA-N 1 1 328.416 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ccncn3)C2)C1 ZINC000972395000 736118487 /nfs/dbraw/zinc/11/84/87/736118487.db2.gz VIKOGFAJTUQHRE-GOSISDBHSA-N 1 1 328.416 0.736 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3CC#C)C2)C1 ZINC000972416268 736154079 /nfs/dbraw/zinc/15/40/79/736154079.db2.gz GOQCKPOJHUUGKP-HKUYNNGSSA-N 1 1 329.444 0.411 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3CC#C)C2)C1 ZINC000972416268 736154081 /nfs/dbraw/zinc/15/40/81/736154081.db2.gz GOQCKPOJHUUGKP-HKUYNNGSSA-N 1 1 329.444 0.411 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCc3sccc3C2)C1 ZINC001078222882 782515963 /nfs/dbraw/zinc/51/59/63/782515963.db2.gz UTAPYDWRCFXFAX-HUUCEWRRSA-N 1 1 333.457 0.291 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(CCOC)n3)C2)C1 ZINC000972458193 736251685 /nfs/dbraw/zinc/25/16/85/736251685.db2.gz HNBKVGWYPXHKSJ-SFHVURJKSA-N 1 1 346.431 0.470 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(CCOC)n3)C2)C1 ZINC000972458193 736251688 /nfs/dbraw/zinc/25/16/88/736251688.db2.gz HNBKVGWYPXHKSJ-SFHVURJKSA-N 1 1 346.431 0.470 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 ZINC000972458475 736252200 /nfs/dbraw/zinc/25/22/00/736252200.db2.gz JZBYUMFHPAJDHE-MAUKXSAKSA-N 1 1 333.432 0.372 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 ZINC000972458475 736252202 /nfs/dbraw/zinc/25/22/02/736252202.db2.gz JZBYUMFHPAJDHE-MAUKXSAKSA-N 1 1 333.432 0.372 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)C(C)(C)NC(=O)NC)CC1 ZINC001098572773 736289817 /nfs/dbraw/zinc/28/98/17/736289817.db2.gz ZXCAUXRESDPWCA-UHFFFAOYSA-N 1 1 326.441 0.165 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 ZINC000972480952 736308630 /nfs/dbraw/zinc/30/86/30/736308630.db2.gz WQMSWRUTXXVFIM-CRAIPNDOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972481069 736309870 /nfs/dbraw/zinc/30/98/70/736309870.db2.gz XLHQVRUSONZOJD-MAUKXSAKSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972481069 736309872 /nfs/dbraw/zinc/30/98/72/736309872.db2.gz XLHQVRUSONZOJD-MAUKXSAKSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC000972521447 736552522 /nfs/dbraw/zinc/55/25/22/736552522.db2.gz RBYUULIITSIGNI-SOLBZPMBSA-N 1 1 340.427 0.767 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cnsn3)C2)C1=O ZINC001023250382 736617090 /nfs/dbraw/zinc/61/70/90/736617090.db2.gz GKCUOSNXSQJPMQ-OCCSQVGLSA-N 1 1 349.460 0.767 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023313822 736671615 /nfs/dbraw/zinc/67/16/15/736671615.db2.gz CJPSUAPNUCCSJX-GFCCVEGCSA-N 1 1 327.392 0.657 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023313822 736671617 /nfs/dbraw/zinc/67/16/17/736671617.db2.gz CJPSUAPNUCCSJX-GFCCVEGCSA-N 1 1 327.392 0.657 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001023347169 736712950 /nfs/dbraw/zinc/71/29/50/736712950.db2.gz RPEQKRKMVODXHZ-XJKSGUPXSA-N 1 1 342.399 0.995 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3n[nH]cc3C)C2)C1=O ZINC001023358786 736733097 /nfs/dbraw/zinc/73/30/97/736733097.db2.gz PGIOMOGAOXGDAE-LSDHHAIUSA-N 1 1 345.447 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@H](C)OC)C1 ZINC001059846941 751376470 /nfs/dbraw/zinc/37/64/70/751376470.db2.gz IOXHOTOUVDYQPP-JYJNAYRXSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@H](C)OC)C1 ZINC001059846941 751376475 /nfs/dbraw/zinc/37/64/75/751376475.db2.gz IOXHOTOUVDYQPP-JYJNAYRXSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCN(C(C)=O)C3)[C@H]2C1 ZINC001083260485 736783419 /nfs/dbraw/zinc/78/34/19/736783419.db2.gz CYUJAWIGENLKME-YESZJQIVSA-N 1 1 335.448 0.733 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001023410039 736790235 /nfs/dbraw/zinc/79/02/35/736790235.db2.gz MJKNRWGRLZSSJV-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001023410039 736790238 /nfs/dbraw/zinc/79/02/38/736790238.db2.gz MJKNRWGRLZSSJV-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001023468506 736879768 /nfs/dbraw/zinc/87/97/68/736879768.db2.gz WKPUQUXPACQSHW-GFCCVEGCSA-N 1 1 328.372 0.488 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001023469472 736880653 /nfs/dbraw/zinc/88/06/53/736880653.db2.gz FDAFQAYBQYQZSF-CYBMUJFWSA-N 1 1 342.399 0.878 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001023476938 736886614 /nfs/dbraw/zinc/88/66/14/736886614.db2.gz ZLFNXGQYDJJBGU-AWEZNQCLSA-N 1 1 334.420 0.518 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCCF)CCO3)nn1 ZINC000972586362 736976332 /nfs/dbraw/zinc/97/63/32/736976332.db2.gz WUONEHGSEGBWIT-INIZCTEOSA-N 1 1 337.399 0.741 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCCF)CCO3)nn1 ZINC000972586362 736976335 /nfs/dbraw/zinc/97/63/35/736976335.db2.gz WUONEHGSEGBWIT-INIZCTEOSA-N 1 1 337.399 0.741 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001023547306 736990194 /nfs/dbraw/zinc/99/01/94/736990194.db2.gz IXSDOBFULTYBFP-UUAJXVIYSA-N 1 1 347.459 0.494 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CCOC)c3)[C@H]2C1 ZINC001083261770 736991614 /nfs/dbraw/zinc/99/16/14/736991614.db2.gz LLMJRIKCUOKNCM-JKSUJKDBSA-N 1 1 332.404 0.078 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CCOC)c3)[C@H]2C1 ZINC001083261770 736991617 /nfs/dbraw/zinc/99/16/17/736991617.db2.gz LLMJRIKCUOKNCM-JKSUJKDBSA-N 1 1 332.404 0.078 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 ZINC001098578149 737041643 /nfs/dbraw/zinc/04/16/43/737041643.db2.gz ZCBJVFJQZJHEGB-UHFFFAOYSA-N 1 1 344.415 0.103 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CCCOC)C1 ZINC001059847350 751382391 /nfs/dbraw/zinc/38/23/91/751382391.db2.gz PTJQLLVJEPWOHR-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CCCOC)C1 ZINC001059847350 751382393 /nfs/dbraw/zinc/38/23/93/751382393.db2.gz PTJQLLVJEPWOHR-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 ZINC000972607745 737090706 /nfs/dbraw/zinc/09/07/06/737090706.db2.gz HOFCRALAGFHOPH-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 ZINC000972607745 737090707 /nfs/dbraw/zinc/09/07/07/737090707.db2.gz HOFCRALAGFHOPH-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001023641042 737129305 /nfs/dbraw/zinc/12/93/05/737129305.db2.gz RRRUEHYZAQNQBR-WRSVWVKZSA-N 1 1 348.447 0.769 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001023640225 737132048 /nfs/dbraw/zinc/13/20/48/737132048.db2.gz AIHNBLPWEZIAMI-LSDHHAIUSA-N 1 1 345.447 0.947 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972629433 737160078 /nfs/dbraw/zinc/16/00/78/737160078.db2.gz ZIFOWYDXJAVKNP-OALUTQOASA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972629433 737160080 /nfs/dbraw/zinc/16/00/80/737160080.db2.gz ZIFOWYDXJAVKNP-OALUTQOASA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CSCCC)C1 ZINC001149264551 737178425 /nfs/dbraw/zinc/17/84/25/737178425.db2.gz UFUDZLWRXZGVBW-CQSZACIVSA-N 1 1 343.493 0.639 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CSCCC)C1 ZINC001149264551 737178429 /nfs/dbraw/zinc/17/84/29/737178429.db2.gz UFUDZLWRXZGVBW-CQSZACIVSA-N 1 1 343.493 0.639 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972638879 737201307 /nfs/dbraw/zinc/20/13/07/737201307.db2.gz OIDHSAAHQIAIAU-DNVCBOLYSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972638879 737201308 /nfs/dbraw/zinc/20/13/08/737201308.db2.gz OIDHSAAHQIAIAU-DNVCBOLYSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC001023707011 737223673 /nfs/dbraw/zinc/22/36/73/737223673.db2.gz GLRRICXVNZLPBX-CABCVRRESA-N 1 1 331.416 0.916 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001023707499 737224443 /nfs/dbraw/zinc/22/44/43/737224443.db2.gz RSPMZMDQTKKBBD-GFCCVEGCSA-N 1 1 325.368 0.645 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001023707192 737224755 /nfs/dbraw/zinc/22/47/55/737224755.db2.gz LUSDVQSKNNCZSJ-ZDUSSCGKSA-N 1 1 330.388 0.021 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001023707192 737224756 /nfs/dbraw/zinc/22/47/56/737224756.db2.gz LUSDVQSKNNCZSJ-ZDUSSCGKSA-N 1 1 330.388 0.021 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001039667993 737253054 /nfs/dbraw/zinc/25/30/54/737253054.db2.gz LLPUGMGNKBWIBM-QAPCUYQASA-N 1 1 335.448 0.067 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC000972666395 737296710 /nfs/dbraw/zinc/29/67/10/737296710.db2.gz DGXANKSNZNRZNZ-GOSISDBHSA-N 1 1 348.447 0.104 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC000972666395 737296715 /nfs/dbraw/zinc/29/67/15/737296715.db2.gz DGXANKSNZNRZNZ-GOSISDBHSA-N 1 1 348.447 0.104 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001067462543 737304981 /nfs/dbraw/zinc/30/49/81/737304981.db2.gz LLUGQQDAMWMYDL-INIZCTEOSA-N 1 1 342.443 0.935 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)C1 ZINC000972669359 737315487 /nfs/dbraw/zinc/31/54/87/737315487.db2.gz LFAQCZZWQZWAGP-GOSISDBHSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)C1 ZINC000972669359 737315489 /nfs/dbraw/zinc/31/54/89/737315489.db2.gz LFAQCZZWQZWAGP-GOSISDBHSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067464040 737321937 /nfs/dbraw/zinc/32/19/37/737321937.db2.gz WQCWEBZPUHFUSA-SJORKVTESA-N 1 1 348.491 0.343 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972673411 737342545 /nfs/dbraw/zinc/34/25/45/737342545.db2.gz HXRLIWADGOUHSS-KRWDZBQOSA-N 1 1 330.388 0.054 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972673411 737342548 /nfs/dbraw/zinc/34/25/48/737342548.db2.gz HXRLIWADGOUHSS-KRWDZBQOSA-N 1 1 330.388 0.054 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972674453 737344939 /nfs/dbraw/zinc/34/49/39/737344939.db2.gz PNBMJJJDBMVMTD-SFHVURJKSA-N 1 1 335.448 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684863 737375269 /nfs/dbraw/zinc/37/52/69/737375269.db2.gz XWICOVOZJNTBDC-DNVCBOLYSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684863 737375274 /nfs/dbraw/zinc/37/52/74/737375274.db2.gz XWICOVOZJNTBDC-DNVCBOLYSA-N 1 1 342.443 0.841 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3[nH]cnc3C)C2)C1=O ZINC001023784676 737376331 /nfs/dbraw/zinc/37/63/31/737376331.db2.gz YAEBXTHLQTZLRU-GJZGRUSLSA-N 1 1 345.447 0.947 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001023894788 737470077 /nfs/dbraw/zinc/47/00/77/737470077.db2.gz GTFPOBMKMPMADF-OLZOCXBDSA-N 1 1 333.440 0.916 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cc(C)n[nH]3)C(C)(C)C2)C1=O ZINC000972830166 737755314 /nfs/dbraw/zinc/75/53/14/737755314.db2.gz CRSSBIVYSLGFRU-HUUCEWRRSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cc(C)n[nH]3)C(C)(C)C2)C1=O ZINC000972830166 737755317 /nfs/dbraw/zinc/75/53/17/737755317.db2.gz CRSSBIVYSLGFRU-HUUCEWRRSA-N 1 1 345.447 0.945 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2CCN2CCNC2=O)c1 ZINC001024380424 737936664 /nfs/dbraw/zinc/93/66/64/737936664.db2.gz LSWRPXUBXHZSTD-CQSZACIVSA-N 1 1 344.419 0.496 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NC2CC2)[nH]1 ZINC001024395440 737938747 /nfs/dbraw/zinc/93/87/47/737938747.db2.gz ZXQUOMIWOZSCAS-CQSZACIVSA-N 1 1 329.404 0.749 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NC2CC2)[nH]1 ZINC001024395440 737938750 /nfs/dbraw/zinc/93/87/50/737938750.db2.gz ZXQUOMIWOZSCAS-CQSZACIVSA-N 1 1 329.404 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1nonc1C ZINC001024486731 738013951 /nfs/dbraw/zinc/01/39/51/738013951.db2.gz HGHREUXHUGORBZ-RDJZCZTQSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1nonc1C ZINC001024486731 738013954 /nfs/dbraw/zinc/01/39/54/738013954.db2.gz HGHREUXHUGORBZ-RDJZCZTQSA-N 1 1 345.447 0.946 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@@H]21 ZINC001087287458 738118533 /nfs/dbraw/zinc/11/85/33/738118533.db2.gz IBXCHDZIPGOHNL-RBSFLKMASA-N 1 1 338.473 0.660 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@@H]21 ZINC001087287458 738118534 /nfs/dbraw/zinc/11/85/34/738118534.db2.gz IBXCHDZIPGOHNL-RBSFLKMASA-N 1 1 338.473 0.660 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCOCC3=O)C(C)(C)[C@H]21 ZINC001087289919 738127692 /nfs/dbraw/zinc/12/76/92/738127692.db2.gz ULYFCHXZCFZIQL-COXVUDFISA-N 1 1 333.432 0.084 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001024581743 738128620 /nfs/dbraw/zinc/12/86/20/738128620.db2.gz MVPMYFGEEGQZBI-CYBMUJFWSA-N 1 1 342.407 0.301 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc4nnnn4c3)C(C)(C)[C@@H]21 ZINC001087295505 738141842 /nfs/dbraw/zinc/14/18/42/738141842.db2.gz KHXPXCDYCADWKX-FVQBIDKESA-N 1 1 338.415 0.976 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cc(C(N)=O)cn3C)C(C)(C)[C@H]21 ZINC001087295546 738142585 /nfs/dbraw/zinc/14/25/85/738142585.db2.gz KXALRBWRZQTZAT-KBMXLJTQSA-N 1 1 342.443 0.976 20 30 ECEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001024644707 738197664 /nfs/dbraw/zinc/19/76/64/738197664.db2.gz VVPPHXBWAMKBNK-NSHDSACASA-N 1 1 341.437 0.218 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)C(C)(C)[C@@H]21 ZINC001087305366 738198272 /nfs/dbraw/zinc/19/82/72/738198272.db2.gz RODBGJDPABQSQN-KCPJHIHWSA-N 1 1 328.416 0.966 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001024704162 738231162 /nfs/dbraw/zinc/23/11/62/738231162.db2.gz HSMFFJITVHTBEK-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CCC)n3)[C@H]2C1 ZINC001083271742 738245689 /nfs/dbraw/zinc/24/56/89/738245689.db2.gz ZPPCIKWSXPGRKG-JKSUJKDBSA-N 1 1 346.431 0.755 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCC(=O)NC3=O)C(C)(C)[C@@H]21 ZINC001087312514 738245741 /nfs/dbraw/zinc/24/57/41/738245741.db2.gz GNOOSUXIIPOBFH-DAXOMENPSA-N 1 1 348.447 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1C(=O)CCC1=O ZINC001087317488 738283901 /nfs/dbraw/zinc/28/39/01/738283901.db2.gz JATOAPBUVFFCRL-OAUYIBNBSA-N 1 1 331.416 0.374 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)cc1 ZINC001028182827 751404756 /nfs/dbraw/zinc/40/47/56/751404756.db2.gz FZNVINWIMORXHS-NVXWUHKLSA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCNC2=O)cc1 ZINC001028182827 751404760 /nfs/dbraw/zinc/40/47/60/751404760.db2.gz FZNVINWIMORXHS-NVXWUHKLSA-N 1 1 341.411 0.781 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000973285583 739048807 /nfs/dbraw/zinc/04/88/07/739048807.db2.gz VWVCIRNSVHMKCE-MGPQQGTHSA-N 1 1 346.435 0.183 20 30 ECEDMO C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)c2cn(CC)nn2)CC1 ZINC001098515493 751422816 /nfs/dbraw/zinc/42/28/16/751422816.db2.gz DODZRTSORYQUEE-UHFFFAOYSA-N 1 1 341.843 0.949 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC000987994463 751435147 /nfs/dbraw/zinc/43/51/47/751435147.db2.gz VAIAFHSNYDVRPL-HYVNUMGLSA-N 1 1 347.459 0.426 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC000987994463 751435150 /nfs/dbraw/zinc/43/51/50/751435150.db2.gz VAIAFHSNYDVRPL-HYVNUMGLSA-N 1 1 347.459 0.426 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000973466901 739337226 /nfs/dbraw/zinc/33/72/26/739337226.db2.gz NTPHYWDELOGYLS-KBRIMQKVSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O ZINC000982003905 751447020 /nfs/dbraw/zinc/44/70/20/751447020.db2.gz INQCYBRIJQPYEX-NCOADZHNSA-N 1 1 347.459 0.875 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O ZINC000982003905 751447021 /nfs/dbraw/zinc/44/70/21/751447021.db2.gz INQCYBRIJQPYEX-NCOADZHNSA-N 1 1 347.459 0.875 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccnc(C#N)n1 ZINC001104685249 739475373 /nfs/dbraw/zinc/47/53/73/739475373.db2.gz MUJWUVLMADZHOB-ZIAGYGMSSA-N 1 1 330.436 0.902 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000973545365 739496604 /nfs/dbraw/zinc/49/66/04/739496604.db2.gz QPHHEPAPNWAUSI-OSMBCOQSSA-N 1 1 340.427 0.638 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nncn4C3)[C@H]2C1 ZINC001083282622 739651968 /nfs/dbraw/zinc/65/19/68/739651968.db2.gz LTUMNLFNVAZOHA-OWCLPIDISA-N 1 1 345.447 0.718 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nncn4C3)[C@H]2C1 ZINC001083282760 739655250 /nfs/dbraw/zinc/65/52/50/739655250.db2.gz RYHPZXDKOSORFD-QLFBSQMISA-N 1 1 331.420 0.328 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC(=O)NC)C2)c1 ZINC001025527897 739691129 /nfs/dbraw/zinc/69/11/29/739691129.db2.gz NJLUEZIYSJYNNR-HIFRSBDPSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001025556445 739715695 /nfs/dbraw/zinc/71/56/95/739715695.db2.gz UWDBKLQQDUJLAF-STQMWFEESA-N 1 1 327.388 0.898 20 30 ECEDMO C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001041977402 782532444 /nfs/dbraw/zinc/53/24/44/782532444.db2.gz ASAAHUUHCBCZEE-OSAQELSMSA-N 1 1 331.395 0.985 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000988045525 751476161 /nfs/dbraw/zinc/47/61/61/751476161.db2.gz HRQNBTFDZPQRIB-IKGGRYGDSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000988045525 751476168 /nfs/dbraw/zinc/47/61/68/751476168.db2.gz HRQNBTFDZPQRIB-IKGGRYGDSA-N 1 1 347.459 0.427 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001025594907 739759632 /nfs/dbraw/zinc/75/96/32/739759632.db2.gz JHTLZKYDOFDAIY-OLZOCXBDSA-N 1 1 344.419 0.824 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025613863 739776398 /nfs/dbraw/zinc/77/63/98/739776398.db2.gz CCAOKHDIUBUSAI-STQMWFEESA-N 1 1 329.404 0.429 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCOC2)C1=O ZINC001025705867 739884950 /nfs/dbraw/zinc/88/49/50/739884950.db2.gz FEMVXNAOBKNXLQ-ARKGTOAJSA-N 1 1 333.432 0.246 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1=O ZINC001025727465 739898307 /nfs/dbraw/zinc/89/83/07/739898307.db2.gz OTJYIUSSCJFDRI-JFMFRDDFSA-N 1 1 329.444 0.866 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001025814106 739997016 /nfs/dbraw/zinc/99/70/16/739997016.db2.gz UZEBJSLKNXEATL-ZBRFXRBCSA-N 1 1 331.460 0.700 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2ccon2)C1 ZINC000988086051 751515317 /nfs/dbraw/zinc/51/53/17/751515317.db2.gz GIZGETAUAFGBSG-ZBFHGGJFSA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2ccon2)C1 ZINC000988086051 751515320 /nfs/dbraw/zinc/51/53/20/751515320.db2.gz GIZGETAUAFGBSG-ZBFHGGJFSA-N 1 1 344.415 0.693 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC001068463428 790318660 /nfs/dbraw/zinc/31/86/60/790318660.db2.gz GCDZKYYDBWEEPL-JKSUJKDBSA-N 1 1 347.459 0.283 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[C@@H]2C(N)=O)c1 ZINC001025937106 740264960 /nfs/dbraw/zinc/26/49/60/740264960.db2.gz HDWNIAVCQNTHAA-DMRKSPOLSA-N 1 1 338.411 0.616 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1 ZINC001025937504 740266249 /nfs/dbraw/zinc/26/62/49/740266249.db2.gz NJMGGBBAKKGMLP-DMRKSPOLSA-N 1 1 338.411 0.616 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001026054532 740341138 /nfs/dbraw/zinc/34/11/38/740341138.db2.gz DSODJARKHUQPOG-XDKXFUCDSA-N 1 1 347.459 0.633 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)nn1 ZINC001087393229 740444746 /nfs/dbraw/zinc/44/47/46/740444746.db2.gz UIIGKBHCZYMYOG-NHIYQJMISA-N 1 1 331.420 0.239 20 30 ECEDMO COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001167728857 740462931 /nfs/dbraw/zinc/46/29/31/740462931.db2.gz BXNMYZRUQPLFPK-CQSZACIVSA-N 1 1 345.447 0.436 20 30 ECEDMO COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001167728857 740462933 /nfs/dbraw/zinc/46/29/33/740462933.db2.gz BXNMYZRUQPLFPK-CQSZACIVSA-N 1 1 345.447 0.436 20 30 ECEDMO CC[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112048804 740482843 /nfs/dbraw/zinc/48/28/43/740482843.db2.gz LEVHKOYKNFTBOD-GMTAPVOTSA-N 1 1 334.342 0.651 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC)C[C@H]1C(F)(F)F ZINC001112050098 740498239 /nfs/dbraw/zinc/49/82/39/740498239.db2.gz QMYROUZHKJEEGC-VXGBXAGGSA-N 1 1 333.354 0.905 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)n1 ZINC001026241817 740557233 /nfs/dbraw/zinc/55/72/33/740557233.db2.gz ARVBPXPFVNARID-CYZMBNFOSA-N 1 1 340.391 0.050 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)nn1 ZINC001087395766 740579096 /nfs/dbraw/zinc/57/90/96/740579096.db2.gz HWADNMQLKSMUKI-IVSAIRAKSA-N 1 1 345.447 0.629 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001020412499 751559853 /nfs/dbraw/zinc/55/98/53/751559853.db2.gz ITUWPVHEOSSURO-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000982071022 751561539 /nfs/dbraw/zinc/56/15/39/751561539.db2.gz TVIWRDCERZXHCQ-HZMVEIRTSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000982071022 751561546 /nfs/dbraw/zinc/56/15/46/751561546.db2.gz TVIWRDCERZXHCQ-HZMVEIRTSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@@H]21 ZINC001026306710 740799890 /nfs/dbraw/zinc/79/98/90/740799890.db2.gz PJAHYACUOJVGOX-BHYGNILZSA-N 1 1 344.459 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1noc(C(C)C)n1 ZINC001038365041 740946541 /nfs/dbraw/zinc/94/65/41/740946541.db2.gz AQDOPKHZGJJOLJ-CABCVRRESA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1noc(C(C)C)n1 ZINC001038365041 740946544 /nfs/dbraw/zinc/94/65/44/740946544.db2.gz AQDOPKHZGJJOLJ-CABCVRRESA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000974142969 740999242 /nfs/dbraw/zinc/99/92/42/740999242.db2.gz VWVCIRNSVHMKCE-MCIONIFRSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC000974143381 741000259 /nfs/dbraw/zinc/00/02/59/741000259.db2.gz QBBWQGDDRQBNFQ-IGQOVBAYSA-N 1 1 346.435 0.039 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000974143736 741001090 /nfs/dbraw/zinc/00/10/90/741001090.db2.gz XINBATXDOVYKJQ-GUTXKFCHSA-N 1 1 346.435 0.325 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000974147754 741007198 /nfs/dbraw/zinc/00/71/98/741007198.db2.gz MEVPWJCJTLVOFF-QMHWVQJVSA-N 1 1 335.448 0.683 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCO)C2)cn1 ZINC001087405095 741103454 /nfs/dbraw/zinc/10/34/54/741103454.db2.gz DHXFJPGKBAUYEW-DKIMLUQUSA-N 1 1 325.412 0.838 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001059857338 751613299 /nfs/dbraw/zinc/61/32/99/751613299.db2.gz ZDIAITZQHCZIGO-YVSFHVDLSA-N 1 1 341.415 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC000974344765 741360272 /nfs/dbraw/zinc/36/02/72/741360272.db2.gz LNROTPDJMRCSFH-RRQGHBQHSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3OCC)C2)nn1 ZINC001105171251 741438879 /nfs/dbraw/zinc/43/88/79/741438879.db2.gz FJHIJPRLASBREU-HZPDHXFCSA-N 1 1 349.435 0.379 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)COC)nn2)C1 ZINC001105223616 741500255 /nfs/dbraw/zinc/50/02/55/741500255.db2.gz AORIPWZOALWROM-WBMJQRKESA-N 1 1 337.424 0.113 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn4c(n3)CCCC4)C2)nn1 ZINC001105254412 741568697 /nfs/dbraw/zinc/56/86/97/741568697.db2.gz ZXDGILSTKVOKOD-UHFFFAOYSA-N 1 1 341.419 0.784 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)nn1 ZINC001105259917 741583378 /nfs/dbraw/zinc/58/33/78/741583378.db2.gz RQHYEJIVGAEVHP-OAHLLOKOSA-N 1 1 339.403 0.158 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCOC[C@@H]3CCCO3)C2)nn1 ZINC001105275138 741620752 /nfs/dbraw/zinc/62/07/52/741620752.db2.gz DRBFQEAHNLTDJS-INIZCTEOSA-N 1 1 349.435 0.523 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)nn1 ZINC001105280757 741636918 /nfs/dbraw/zinc/63/69/18/741636918.db2.gz BIZOMHVDDFPKAG-DLBZAZTESA-N 1 1 345.447 1.000 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn4ccnc4c3)C2)nn1 ZINC001105281013 741639217 /nfs/dbraw/zinc/63/92/17/741639217.db2.gz PPCKXWXWKGAYFX-UHFFFAOYSA-N 1 1 337.387 0.899 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCC(=O)N3C)C2)nn1 ZINC001105297783 741676129 /nfs/dbraw/zinc/67/61/29/741676129.db2.gz VLXGXZISDJUIKO-CQSZACIVSA-N 1 1 346.435 0.338 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1cnc(C#N)cn1)C(C)C ZINC001105301866 741692517 /nfs/dbraw/zinc/69/25/17/741692517.db2.gz ZLGRESZERVYRIV-HOTGVXAUSA-N 1 1 340.431 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1cnc(C#N)cn1)C(C)C ZINC001105301866 741692518 /nfs/dbraw/zinc/69/25/18/741692518.db2.gz ZLGRESZERVYRIV-HOTGVXAUSA-N 1 1 340.431 0.999 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)c3cncnc3)C2)nn1 ZINC001105312678 741731803 /nfs/dbraw/zinc/73/18/03/741731803.db2.gz XYNBZCZZKCBXRG-GFCCVEGCSA-N 1 1 327.392 0.531 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058731308 741763304 /nfs/dbraw/zinc/76/33/04/741763304.db2.gz YWQANDDBOPFFTN-QAPCUYQASA-N 1 1 339.480 0.868 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974542223 741875648 /nfs/dbraw/zinc/87/56/48/741875648.db2.gz XFXROVSCLAHDOP-HUUCEWRRSA-N 1 1 342.399 0.993 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974542223 741875653 /nfs/dbraw/zinc/87/56/53/741875653.db2.gz XFXROVSCLAHDOP-HUUCEWRRSA-N 1 1 342.399 0.993 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC(=O)N(C)C)CC1(C)C ZINC000974586331 741923108 /nfs/dbraw/zinc/92/31/08/741923108.db2.gz DLXUJDLIUMSXRJ-ILXRZTDVSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](CC(=O)N(C)C)CC1(C)C ZINC000974586331 741923111 /nfs/dbraw/zinc/92/31/11/741923111.db2.gz DLXUJDLIUMSXRJ-ILXRZTDVSA-N 1 1 337.464 0.882 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C(C)(C)C1 ZINC000974726517 742120091 /nfs/dbraw/zinc/12/00/91/742120091.db2.gz BSOCZKRNEGTNBF-UKRRQHHQSA-N 1 1 330.432 0.918 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C(C)(C)C1 ZINC000974726517 742120092 /nfs/dbraw/zinc/12/00/92/742120092.db2.gz BSOCZKRNEGTNBF-UKRRQHHQSA-N 1 1 330.432 0.918 20 30 ECEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974768808 742159979 /nfs/dbraw/zinc/15/99/79/742159979.db2.gz UYYRMKOOUJJGFB-NSHDSACASA-N 1 1 327.406 0.553 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000974859296 742275226 /nfs/dbraw/zinc/27/52/26/742275226.db2.gz BBMPBIGXJQHPQC-UONOGXRCSA-N 1 1 331.420 0.768 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)COC3CCOCC3)C2)nn1 ZINC001105337133 742429567 /nfs/dbraw/zinc/42/95/67/742429567.db2.gz SQNPVTRVYYLXCF-UHFFFAOYSA-N 1 1 335.408 0.133 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)CC2(C)C)c1 ZINC000975008489 742444747 /nfs/dbraw/zinc/44/47/47/742444747.db2.gz ANFZDICPGMRZKJ-IUODEOHRSA-N 1 1 328.416 0.638 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)CC2(C)C)c1 ZINC000975008489 742444753 /nfs/dbraw/zinc/44/47/53/742444753.db2.gz ANFZDICPGMRZKJ-IUODEOHRSA-N 1 1 328.416 0.638 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+](CC(=O)N3CCC3)CC2(C)C)c1 ZINC000975011802 742446419 /nfs/dbraw/zinc/44/64/19/742446419.db2.gz NSHIWUXVRQPTSC-INIZCTEOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+](CC(=O)N3CCC3)CC2(C)C)c1 ZINC000975011802 742446421 /nfs/dbraw/zinc/44/64/21/742446421.db2.gz NSHIWUXVRQPTSC-INIZCTEOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C(C)(C)C1 ZINC000975063914 742469766 /nfs/dbraw/zinc/46/97/66/742469766.db2.gz RSQCPPLLTGARDV-CQSZACIVSA-N 1 1 330.432 0.597 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2ccon2)C1 ZINC000975138857 742547305 /nfs/dbraw/zinc/54/73/05/742547305.db2.gz GQYRRXNWRKCFGV-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2ccon2)C1 ZINC000975138857 742547309 /nfs/dbraw/zinc/54/73/09/742547309.db2.gz GQYRRXNWRKCFGV-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)c1 ZINC001041981782 782540895 /nfs/dbraw/zinc/54/08/95/782540895.db2.gz GMUWORHVWRYBEM-HOTGVXAUSA-N 1 1 326.400 0.856 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1 ZINC000982250512 751763387 /nfs/dbraw/zinc/76/33/87/751763387.db2.gz TUTVRYFUOQAAIR-HDICACEKSA-N 1 1 343.431 0.759 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)cc1F ZINC001027160260 742831653 /nfs/dbraw/zinc/83/16/53/742831653.db2.gz AIFKHYILWIIGJT-ZDUSSCGKSA-N 1 1 342.378 0.996 20 30 ECEDMO C=CCCN1CC[NH+](C2CCC(NC(=O)Cc3nnc[nH]3)CC2)CC1 ZINC000996794981 742876005 /nfs/dbraw/zinc/87/60/05/742876005.db2.gz GPEKZDPTLWTJEB-UHFFFAOYSA-N 1 1 346.479 0.968 20 30 ECEDMO C=CCC[NH+]1CCN(C2CCC(NC(=O)Cc3nc[nH]n3)CC2)CC1 ZINC000996794981 742876013 /nfs/dbraw/zinc/87/60/13/742876013.db2.gz GPEKZDPTLWTJEB-UHFFFAOYSA-N 1 1 346.479 0.968 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC001028935448 742914531 /nfs/dbraw/zinc/91/45/31/742914531.db2.gz DAKPNWQORYSYST-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)s1 ZINC001028936006 742918332 /nfs/dbraw/zinc/91/83/32/742918332.db2.gz OSAJQQZAOCXWPV-FZMZJTMJSA-N 1 1 332.429 0.836 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001028939966 742936847 /nfs/dbraw/zinc/93/68/47/742936847.db2.gz VSNQAFXDCWRZAK-UKRRQHHQSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nnc(-c2cccs2)o1 ZINC001125997955 743155355 /nfs/dbraw/zinc/15/53/55/743155355.db2.gz IRXMHUUAXYWXIH-UHFFFAOYSA-N 1 1 347.400 0.143 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1cc(-c2cccs2)on1 ZINC001125998194 743156558 /nfs/dbraw/zinc/15/65/58/743156558.db2.gz MCSROLPGWDPALW-UHFFFAOYSA-N 1 1 346.412 0.748 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C)c1 ZINC001020561222 751798004 /nfs/dbraw/zinc/79/80/04/751798004.db2.gz FNHFWHLAMAWLKP-QRTARXTBSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](C[NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001027233328 743243748 /nfs/dbraw/zinc/24/37/48/743243748.db2.gz ABLPDZKNUDHWGP-IAGOWNOFSA-N 1 1 333.476 0.806 20 30 ECEDMO CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112147005 743511987 /nfs/dbraw/zinc/51/19/87/743511987.db2.gz ZYEXEDBWBURBHQ-VXGBXAGGSA-N 1 1 333.354 0.905 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)CC[N@H+]1C ZINC000988315382 751836429 /nfs/dbraw/zinc/83/64/29/751836429.db2.gz HPLHOHZKMZCZMN-GBOPCIDUSA-N 1 1 343.431 0.946 20 30 ECEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)C[N@@H+](CCN1CCNC1=O)C2 ZINC000982278608 751850393 /nfs/dbraw/zinc/85/03/93/751850393.db2.gz KZJGGWUJYFHGCM-KDURUIRLSA-N 1 1 344.459 0.595 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cscn1 ZINC000976266498 743763624 /nfs/dbraw/zinc/76/36/24/743763624.db2.gz PLNSMZWNMAJWBD-MYZSUADSSA-N 1 1 344.440 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cscn1 ZINC000976266498 743763627 /nfs/dbraw/zinc/76/36/27/743763627.db2.gz PLNSMZWNMAJWBD-MYZSUADSSA-N 1 1 344.440 0.427 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCOC1 ZINC000997770556 743800131 /nfs/dbraw/zinc/80/01/31/743800131.db2.gz ZYKSEXZLEJDKTG-QEOTZNIISA-N 1 1 345.443 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCOC1 ZINC000997770556 743800135 /nfs/dbraw/zinc/80/01/35/743800135.db2.gz ZYKSEXZLEJDKTG-QEOTZNIISA-N 1 1 345.443 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccon1 ZINC000976324361 743815396 /nfs/dbraw/zinc/81/53/96/743815396.db2.gz WWEQCVNRRROGMO-FMKPAKJESA-N 1 1 344.415 0.929 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccon1 ZINC000976324361 743815398 /nfs/dbraw/zinc/81/53/98/743815398.db2.gz WWEQCVNRRROGMO-FMKPAKJESA-N 1 1 344.415 0.929 20 30 ECEDMO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344035 743826287 /nfs/dbraw/zinc/82/62/87/743826287.db2.gz MRXWPSQMRIREAZ-HNNXBMFYSA-N 1 1 332.379 0.996 20 30 ECEDMO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344035 743826289 /nfs/dbraw/zinc/82/62/89/743826289.db2.gz MRXWPSQMRIREAZ-HNNXBMFYSA-N 1 1 332.379 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000976332223 743830125 /nfs/dbraw/zinc/83/01/25/743830125.db2.gz WPMLXAUABFWTLS-NDVFFRQXSA-N 1 1 341.455 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000976332223 743830130 /nfs/dbraw/zinc/83/01/30/743830130.db2.gz WPMLXAUABFWTLS-NDVFFRQXSA-N 1 1 341.455 0.703 20 30 ECEDMO CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC000997870702 743860397 /nfs/dbraw/zinc/86/03/97/743860397.db2.gz GWZNUIVDXBPMAD-ZFWWWQNUSA-N 1 1 326.462 0.804 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2O)cc1 ZINC001078243742 782545422 /nfs/dbraw/zinc/54/54/22/782545422.db2.gz WILAYLGOGBQXBW-BMGDILEWSA-N 1 1 348.443 0.990 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000998134179 743997887 /nfs/dbraw/zinc/99/78/87/743997887.db2.gz JAUWVSMRBYOEAH-KGLIPLIRSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cn(C)cn3)C2)C1=O ZINC001027366593 744001603 /nfs/dbraw/zinc/00/16/03/744001603.db2.gz PBYBFXABWIHKSW-GOEBONIOSA-N 1 1 345.447 0.743 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000976503050 744011591 /nfs/dbraw/zinc/01/15/91/744011591.db2.gz NNTUUOSNYHUMLJ-HPFXQQBRSA-N 1 1 329.444 0.846 20 30 ECEDMO C[N@@H+]([C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@@H]1CCC(=O)NC1=O ZINC001027371508 744015608 /nfs/dbraw/zinc/01/56/08/744015608.db2.gz DAIZYRXMZJWUQE-TZMCWYRMSA-N 1 1 343.387 0.228 20 30 ECEDMO C[N@@H+]([C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@H]1CCCNC1=O ZINC001027371669 744017261 /nfs/dbraw/zinc/01/72/61/744017261.db2.gz GVSRZKATCMPTPK-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CCC2 ZINC000976520036 744033190 /nfs/dbraw/zinc/03/31/90/744033190.db2.gz IUAGKYAOWZRZJQ-BQJWPVKWSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CCC2 ZINC000976520036 744033194 /nfs/dbraw/zinc/03/31/94/744033194.db2.gz IUAGKYAOWZRZJQ-BQJWPVKWSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CCC3CC3)C[C@H]21 ZINC000976739063 744265459 /nfs/dbraw/zinc/26/54/59/744265459.db2.gz HNNCXIGOSPBXAI-UIBIWLFHSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CCC3CC3)C[C@H]21 ZINC000976739063 744265460 /nfs/dbraw/zinc/26/54/60/744265460.db2.gz HNNCXIGOSPBXAI-UIBIWLFHSA-N 1 1 329.444 0.847 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1C ZINC000998852252 744371551 /nfs/dbraw/zinc/37/15/51/744371551.db2.gz ZTMQRVJARMSVRU-ZDUSSCGKSA-N 1 1 341.419 0.972 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001027438283 744415922 /nfs/dbraw/zinc/41/59/22/744415922.db2.gz KDJUILWDVNTEFZ-GFCCVEGCSA-N 1 1 327.388 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2nocc2C)C1 ZINC001006868708 751918703 /nfs/dbraw/zinc/91/87/03/751918703.db2.gz ITDVLLXDYMDNRY-ZFWWWQNUSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2nocc2C)C1 ZINC001006868708 751918707 /nfs/dbraw/zinc/91/87/07/751918707.db2.gz ITDVLLXDYMDNRY-ZFWWWQNUSA-N 1 1 344.415 0.657 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001028249510 751918696 /nfs/dbraw/zinc/91/86/96/751918696.db2.gz BZGGLVDNLSFJRZ-KGLIPLIRSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001028249510 751918700 /nfs/dbraw/zinc/91/87/00/751918700.db2.gz BZGGLVDNLSFJRZ-KGLIPLIRSA-N 1 1 344.415 0.729 20 30 ECEDMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C ZINC000998963431 744433946 /nfs/dbraw/zinc/43/39/46/744433946.db2.gz XRENORXLZKTPDW-CMPLNLGQSA-N 1 1 328.380 0.365 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnon1 ZINC000976880107 744444633 /nfs/dbraw/zinc/44/46/33/744444633.db2.gz ZSQQYNFHXITMEQ-NFAWXSAZSA-N 1 1 345.403 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnon1 ZINC000976880107 744444634 /nfs/dbraw/zinc/44/46/34/744444634.db2.gz ZSQQYNFHXITMEQ-NFAWXSAZSA-N 1 1 345.403 0.324 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]32)nc1 ZINC000976916490 744475899 /nfs/dbraw/zinc/47/58/99/744475899.db2.gz NVWASTVKVPUHJF-LJIGWXMPSA-N 1 1 338.411 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]32)cc1 ZINC000976936814 744491858 /nfs/dbraw/zinc/49/18/58/744491858.db2.gz PWHVGARDWVZGBE-WNRNVDISSA-N 1 1 337.423 0.806 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)c1 ZINC000999312365 744618356 /nfs/dbraw/zinc/61/83/56/744618356.db2.gz WDXVKWPVPCMBJL-IBGZPJMESA-N 1 1 338.411 0.489 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC000999324743 744628577 /nfs/dbraw/zinc/62/85/77/744628577.db2.gz YFJPFMDOJANNFS-HOTGVXAUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)nn1 ZINC000977271573 744826909 /nfs/dbraw/zinc/82/69/09/744826909.db2.gz GSMCTTUHQRZSPY-GXTWGEPZSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)nn1 ZINC000977271573 744826911 /nfs/dbraw/zinc/82/69/11/744826911.db2.gz GSMCTTUHQRZSPY-GXTWGEPZSA-N 1 1 348.451 0.381 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000977299322 744841176 /nfs/dbraw/zinc/84/11/76/744841176.db2.gz CAQUABBETXATBM-AWEZNQCLSA-N 1 1 346.435 0.029 20 30 ECEDMO C=CC[N@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000977304260 744848354 /nfs/dbraw/zinc/84/83/54/744848354.db2.gz OMUCQYCQSAAZIP-ZDUSSCGKSA-N 1 1 334.424 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnccn1 ZINC000977327205 744870327 /nfs/dbraw/zinc/87/03/27/744870327.db2.gz PKCDOZRPMGASMJ-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnccn1 ZINC000977327205 744870330 /nfs/dbraw/zinc/87/03/30/744870330.db2.gz PKCDOZRPMGASMJ-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3csnn3)C2)C1=O ZINC001027510152 744889763 /nfs/dbraw/zinc/88/97/63/744889763.db2.gz QJDCKHBRLNGRLC-GXTWGEPZSA-N 1 1 349.460 0.861 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999865610 744963608 /nfs/dbraw/zinc/96/36/08/744963608.db2.gz UZBJRCNZCYMLAV-OAHLLOKOSA-N 1 1 339.439 0.879 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC000999868399 744967818 /nfs/dbraw/zinc/96/78/18/744967818.db2.gz FFUVTGCJNKDMFV-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H](C)Cc2cnc[nH]2)C1=O ZINC001167979775 744976066 /nfs/dbraw/zinc/97/60/66/744976066.db2.gz XDBFYNLCKDJLLY-HIFRSBDPSA-N 1 1 333.436 0.471 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000999892809 745022154 /nfs/dbraw/zinc/02/21/54/745022154.db2.gz ZQLQLRVZNNNBIU-KSSFIOAISA-N 1 1 339.439 0.735 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000999899494 745034085 /nfs/dbraw/zinc/03/40/85/745034085.db2.gz LLBYEEWLTOXEHC-NSHDSACASA-N 1 1 331.376 0.371 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)on3)nn2)C1 ZINC000999942320 745076284 /nfs/dbraw/zinc/07/62/84/745076284.db2.gz GGAPCADVFSALFC-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2CCC[N@H+]2C)nc1 ZINC000977486962 745079796 /nfs/dbraw/zinc/07/97/96/745079796.db2.gz JLJXOASRXRIFCT-RDJZCZTQSA-N 1 1 340.427 0.830 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(=O)[nH]n3)nn2)C1 ZINC000999952156 745089438 /nfs/dbraw/zinc/08/94/38/745089438.db2.gz STEVJMYBDFMGOV-ZDUSSCGKSA-N 1 1 343.391 0.527 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnsn3)nn2)C1 ZINC000999956956 745097277 /nfs/dbraw/zinc/09/72/77/745097277.db2.gz SIRWLCOJJZIJRY-GFCCVEGCSA-N 1 1 333.421 0.883 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000977498711 745103189 /nfs/dbraw/zinc/10/31/89/745103189.db2.gz WQSUKKCPICVGHM-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001059197530 745114010 /nfs/dbraw/zinc/11/40/10/745114010.db2.gz DHSIXYQKZISOKZ-KGLIPLIRSA-N 1 1 338.477 0.692 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001059198084 745115392 /nfs/dbraw/zinc/11/53/92/745115392.db2.gz KRKVLHBSKZVIFG-CQSZACIVSA-N 1 1 349.460 0.803 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3snnc3C)nn2)C1 ZINC000999969593 745115930 /nfs/dbraw/zinc/11/59/30/745115930.db2.gz XEILJUQXFFSVJO-GFCCVEGCSA-N 1 1 331.405 0.248 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC000999972213 745120695 /nfs/dbraw/zinc/12/06/95/745120695.db2.gz UOJXXHHDKUTMAZ-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CN(C)CCO3)nn2)C1 ZINC000999975915 745124656 /nfs/dbraw/zinc/12/46/56/745124656.db2.gz SFDXKVYICVFGPP-CVEARBPZSA-N 1 1 348.451 0.048 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 ZINC000999975206 745124790 /nfs/dbraw/zinc/12/47/90/745124790.db2.gz QCGKLMAFDLXOAC-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)sn3)nn2)C1 ZINC000999977427 745126261 /nfs/dbraw/zinc/12/62/61/745126261.db2.gz BZBAIVFSICIJHO-ZDUSSCGKSA-N 1 1 330.417 0.853 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@H](CC)C(N)=O)CC2(C)C)cn1 ZINC000977511019 745129774 /nfs/dbraw/zinc/12/97/74/745129774.db2.gz HSHGSJHSRSVNBS-CABCVRRESA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@H](CC)C(N)=O)CC2(C)C)cn1 ZINC000977511019 745129777 /nfs/dbraw/zinc/12/97/77/745129777.db2.gz HSHGSJHSRSVNBS-CABCVRRESA-N 1 1 328.416 0.767 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nccn3CC)nn2)C1 ZINC000999980050 745130282 /nfs/dbraw/zinc/13/02/82/745130282.db2.gz CAUNSDUKMQQOQM-HNNXBMFYSA-N 1 1 341.419 0.695 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]cc3C)nn2)C1 ZINC000999980503 745131302 /nfs/dbraw/zinc/13/13/02/745131302.db2.gz FBERXAMUJARFMK-AWEZNQCLSA-N 1 1 327.392 0.510 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC000999983618 745135169 /nfs/dbraw/zinc/13/51/69/745135169.db2.gz IWDAZJSQZWWRHP-OAHLLOKOSA-N 1 1 325.376 0.268 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cn[nH]c(=O)c3)nn2)C1 ZINC000999992008 745149208 /nfs/dbraw/zinc/14/92/08/745149208.db2.gz MYIBNAMBGAIFEJ-CYBMUJFWSA-N 1 1 329.364 0.137 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000977532785 745155026 /nfs/dbraw/zinc/15/50/26/745155026.db2.gz WLSLJQFYIISFQR-VHDGCEQUSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3CC)nn2)C1 ZINC001000005056 745171980 /nfs/dbraw/zinc/17/19/80/745171980.db2.gz YBFSZGZISRASFU-AWEZNQCLSA-N 1 1 343.435 0.937 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)CC(N)=O)C2)nn1 ZINC001098697164 745216858 /nfs/dbraw/zinc/21/68/58/745216858.db2.gz CASISYIXCQZABC-OCCSQVGLSA-N 1 1 334.424 0.229 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nonc3C)nn2)C1 ZINC001000041067 745219563 /nfs/dbraw/zinc/21/95/63/745219563.db2.gz CIUZWNQIYQKKOL-ZDUSSCGKSA-N 1 1 329.364 0.170 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(CC)n(C)n3)nn2)C1 ZINC001000041419 745220487 /nfs/dbraw/zinc/22/04/87/745220487.db2.gz DTNWWEDLWWSVJG-OAHLLOKOSA-N 1 1 341.419 0.384 20 30 ECEDMO CC#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046321 745227560 /nfs/dbraw/zinc/22/75/60/745227560.db2.gz SHPBDWIHPFEGOG-HOCLYGCPSA-N 1 1 330.436 0.116 20 30 ECEDMO CC#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046321 745227564 /nfs/dbraw/zinc/22/75/64/745227564.db2.gz SHPBDWIHPFEGOG-HOCLYGCPSA-N 1 1 330.436 0.116 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000977588082 745248928 /nfs/dbraw/zinc/24/89/28/745248928.db2.gz LXBGHEWOSIFOCN-AWEZNQCLSA-N 1 1 343.493 0.120 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001059230114 745271192 /nfs/dbraw/zinc/27/11/92/745271192.db2.gz DSGYFJRABURWQK-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001059230114 745271194 /nfs/dbraw/zinc/27/11/94/745271194.db2.gz DSGYFJRABURWQK-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001000184950 745321388 /nfs/dbraw/zinc/32/13/88/745321388.db2.gz DNIBLSJFIRPILC-CQSZACIVSA-N 1 1 344.415 0.681 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)CCO1 ZINC001075780794 745326970 /nfs/dbraw/zinc/32/69/70/745326970.db2.gz WVYCKUHMHQEFFU-HYVNUMGLSA-N 1 1 345.443 0.180 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)CCO1 ZINC001075780794 745326975 /nfs/dbraw/zinc/32/69/75/745326975.db2.gz WVYCKUHMHQEFFU-HYVNUMGLSA-N 1 1 345.443 0.180 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3[nH]cnc3C)C(C)(C)C2)C1=O ZINC000977660459 745353999 /nfs/dbraw/zinc/35/39/99/745353999.db2.gz FYEKDHSSZQJPTQ-ZIAGYGMSSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3[nH]cnc3C)C(C)(C)C2)C1=O ZINC000977660459 745354004 /nfs/dbraw/zinc/35/40/04/745354004.db2.gz FYEKDHSSZQJPTQ-ZIAGYGMSSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cn(CC)cn2)C1=O ZINC001028263925 751995079 /nfs/dbraw/zinc/99/50/79/751995079.db2.gz AHZYBKZTGCYJSI-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cn(CC)cn2)C1=O ZINC001028263925 751995085 /nfs/dbraw/zinc/99/50/85/751995085.db2.gz AHZYBKZTGCYJSI-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nonc3C)C2)nn1 ZINC001020704923 751999851 /nfs/dbraw/zinc/99/98/51/751999851.db2.gz CMMVMUVTQWGTDF-HAQNSBGRSA-N 1 1 331.380 0.596 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001000403963 745478104 /nfs/dbraw/zinc/47/81/04/745478104.db2.gz LSPQFESRFNFAGN-WCQYABFASA-N 1 1 344.423 0.846 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@]2(C)C1 ZINC000982345097 752010630 /nfs/dbraw/zinc/01/06/30/752010630.db2.gz OXYUZKRDXZPYQL-HDICACEKSA-N 1 1 344.415 0.143 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]2O)[nH]1 ZINC001083414303 745532533 /nfs/dbraw/zinc/53/25/33/745532533.db2.gz WTLXYCMAQHLRDG-SJORKVTESA-N 1 1 340.383 0.354 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2O)[nH]1 ZINC001083414303 745532535 /nfs/dbraw/zinc/53/25/35/745532535.db2.gz WTLXYCMAQHLRDG-SJORKVTESA-N 1 1 340.383 0.354 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3ccon3)CC2)C1=O ZINC001000480200 745534623 /nfs/dbraw/zinc/53/46/23/745534623.db2.gz FUIXCHHGPPHFNG-HNNXBMFYSA-N 1 1 330.388 0.823 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc[nH]4)[C@@H]3C2)C1=O ZINC000977827168 745543473 /nfs/dbraw/zinc/54/34/73/745543473.db2.gz ZPRSEEKFYRWQTF-AYDFFVQHSA-N 1 1 328.416 0.709 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4ncnn4)[C@@H]3C2)s1 ZINC001075796789 745591298 /nfs/dbraw/zinc/59/12/98/745591298.db2.gz CURWTMXFFQUPJH-SMDDNHRTSA-N 1 1 343.416 0.339 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4ncnn4)[C@@H]3C2)s1 ZINC001075796789 745591302 /nfs/dbraw/zinc/59/13/02/745591302.db2.gz CURWTMXFFQUPJH-SMDDNHRTSA-N 1 1 343.416 0.339 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@@H+](C)CCn3cncn3)C2)c1 ZINC001027568580 745595849 /nfs/dbraw/zinc/59/58/49/745595849.db2.gz NGDUUSUXQCFARA-QGZVFWFLSA-N 1 1 338.415 0.891 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1C(=O)CNC1=O ZINC001029302880 745636341 /nfs/dbraw/zinc/63/63/41/745636341.db2.gz VKNTVABOPSXIJK-GASCZTMLSA-N 1 1 344.415 0.017 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN1C(=O)CNC1=O ZINC001029302880 745636346 /nfs/dbraw/zinc/63/63/46/745636346.db2.gz VKNTVABOPSXIJK-GASCZTMLSA-N 1 1 344.415 0.017 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1CCOCC1 ZINC000977916384 745642363 /nfs/dbraw/zinc/64/23/63/745642363.db2.gz FTQCPVGQYNQBNZ-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1CCOCC1 ZINC000977916384 745642364 /nfs/dbraw/zinc/64/23/64/745642364.db2.gz FTQCPVGQYNQBNZ-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C[C@H]1CCOC1 ZINC000977921769 745651200 /nfs/dbraw/zinc/65/12/00/745651200.db2.gz UMNRNNXMGYWTDU-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C[C@H]1CCOC1 ZINC000977921769 745651207 /nfs/dbraw/zinc/65/12/07/745651207.db2.gz UMNRNNXMGYWTDU-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO O=C(NCC1=CC[N@H+](CC#Cc2ccccc2)CC1)[C@H]1COC(=O)N1 ZINC001000640057 745655030 /nfs/dbraw/zinc/65/50/30/745655030.db2.gz OCBQWFIYFRBXQE-QGZVFWFLSA-N 1 1 339.395 0.895 20 30 ECEDMO O=C(NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1)[C@H]1COC(=O)N1 ZINC001000640057 745655031 /nfs/dbraw/zinc/65/50/31/745655031.db2.gz OCBQWFIYFRBXQE-QGZVFWFLSA-N 1 1 339.395 0.895 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccccn1 ZINC000977926401 745679808 /nfs/dbraw/zinc/67/98/08/745679808.db2.gz JWCBAJUBMZIUAB-WBVHZDCISA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccccn1 ZINC000977926401 745679811 /nfs/dbraw/zinc/67/98/11/745679811.db2.gz JWCBAJUBMZIUAB-WBVHZDCISA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cnn(C)c1 ZINC000977930260 745686830 /nfs/dbraw/zinc/68/68/30/745686830.db2.gz RDBCJMYVXWUCTL-HOTGVXAUSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cnn(C)c1 ZINC000977930260 745686834 /nfs/dbraw/zinc/68/68/34/745686834.db2.gz RDBCJMYVXWUCTL-HOTGVXAUSA-N 1 1 343.431 0.191 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc[nH]n3)[C@H]2CC)C1=O ZINC001087527852 745703960 /nfs/dbraw/zinc/70/39/60/745703960.db2.gz DZGDDNSMLPSICW-ARFHVFGLSA-N 1 1 345.447 0.708 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)N(C)C)cn1 ZINC001028271145 752029728 /nfs/dbraw/zinc/02/97/28/752029728.db2.gz ZRXXLUWIQPWQGV-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C)cn1 ZINC001028271145 752029733 /nfs/dbraw/zinc/02/97/33/752029733.db2.gz ZRXXLUWIQPWQGV-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCN2c2ncccn2)CC1 ZINC001000789756 745766126 /nfs/dbraw/zinc/76/61/26/745766126.db2.gz DAKRNCYDZOTOHA-INIZCTEOSA-N 1 1 325.416 0.827 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2cnsn2)CC1 ZINC001000791650 745769058 /nfs/dbraw/zinc/76/90/58/745769058.db2.gz RALNHOGYYMQUPZ-INIZCTEOSA-N 1 1 345.472 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2cnsn2)CC1 ZINC001000791650 745769062 /nfs/dbraw/zinc/76/90/62/745769062.db2.gz RALNHOGYYMQUPZ-INIZCTEOSA-N 1 1 345.472 0.884 20 30 ECEDMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978018544 745803798 /nfs/dbraw/zinc/80/37/98/745803798.db2.gz GRZDTMKZDWWLBN-ZSOGYDGISA-N 1 1 325.376 0.123 20 30 ECEDMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978018544 745803804 /nfs/dbraw/zinc/80/38/04/745803804.db2.gz GRZDTMKZDWWLBN-ZSOGYDGISA-N 1 1 325.376 0.123 20 30 ECEDMO COc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)on1 ZINC000978032111 745833877 /nfs/dbraw/zinc/83/38/77/745833877.db2.gz BDQJSAYPNFEACR-QKDCVEJESA-N 1 1 341.371 0.991 20 30 ECEDMO COc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)on1 ZINC000978032111 745833882 /nfs/dbraw/zinc/83/38/82/745833882.db2.gz BDQJSAYPNFEACR-QKDCVEJESA-N 1 1 341.371 0.991 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004185 752041352 /nfs/dbraw/zinc/04/13/52/752041352.db2.gz USQYSXYZKDHVOB-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004185 752041359 /nfs/dbraw/zinc/04/13/59/752041359.db2.gz USQYSXYZKDHVOB-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001027585959 745894744 /nfs/dbraw/zinc/89/47/44/745894744.db2.gz TWALRVRRAHIXLP-IMJJTQAJSA-N 1 1 333.436 0.829 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001027585959 745894749 /nfs/dbraw/zinc/89/47/49/745894749.db2.gz TWALRVRRAHIXLP-IMJJTQAJSA-N 1 1 333.436 0.829 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005643 752042269 /nfs/dbraw/zinc/04/22/69/752042269.db2.gz ZEDLHSLLEOECMG-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005643 752042273 /nfs/dbraw/zinc/04/22/73/752042273.db2.gz ZEDLHSLLEOECMG-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnnn3C)[C@@H]2C1 ZINC000978116721 745926856 /nfs/dbraw/zinc/92/68/56/745926856.db2.gz ZUKXRYZAPCWRCW-RTCCRHLQSA-N 1 1 340.225 0.631 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC2CC2)cn1 ZINC001028272691 752049287 /nfs/dbraw/zinc/04/92/87/752049287.db2.gz IFAARLQVNUZQRQ-INIZCTEOSA-N 1 1 326.400 0.536 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001000993391 745958997 /nfs/dbraw/zinc/95/89/97/745958997.db2.gz CGOVVEUBQXLVAE-UHFFFAOYSA-N 1 1 325.376 0.605 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC2CC2)cn1 ZINC001028272691 752049282 /nfs/dbraw/zinc/04/92/82/752049282.db2.gz IFAARLQVNUZQRQ-INIZCTEOSA-N 1 1 326.400 0.536 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001001021100 745986206 /nfs/dbraw/zinc/98/62/06/745986206.db2.gz LEIRDBIXJVQTPR-UHFFFAOYSA-N 1 1 342.407 0.632 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001098518078 752052465 /nfs/dbraw/zinc/05/24/65/752052465.db2.gz FWXZLYGSFCMDEZ-LPHOPBHVSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1CC ZINC001087570565 746073961 /nfs/dbraw/zinc/07/39/61/746073961.db2.gz XXAVEAGLHFWDOU-VNQPRFMTSA-N 1 1 343.431 0.755 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1CC ZINC001087593803 746105049 /nfs/dbraw/zinc/10/50/49/746105049.db2.gz WXBPNSCLDXZSPM-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000978274578 746134508 /nfs/dbraw/zinc/13/45/08/746134508.db2.gz QJCBMDGOFSJFMO-PNBKFKSVSA-N 1 1 342.443 0.860 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001001183443 746145661 /nfs/dbraw/zinc/14/56/61/746145661.db2.gz WPQZFCPYTBMRJQ-OAHLLOKOSA-N 1 1 328.420 0.397 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1CC ZINC001087659225 746162883 /nfs/dbraw/zinc/16/28/83/746162883.db2.gz USRCWNQCFVYRSR-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO CC#CCN1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665195 746168804 /nfs/dbraw/zinc/16/88/04/746168804.db2.gz BQMHPIZZFFRMJI-RWBIUQBRSA-N 1 1 331.460 0.842 20 30 ECEDMO CC#CCN1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665195 746168808 /nfs/dbraw/zinc/16/88/08/746168808.db2.gz BQMHPIZZFFRMJI-RWBIUQBRSA-N 1 1 331.460 0.842 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc4ncc(C)cn4n3)[C@@H]2C1 ZINC000978315994 746195379 /nfs/dbraw/zinc/19/53/79/746195379.db2.gz YDNKTSCZGVDTJS-ZSOGYDGISA-N 1 1 326.404 0.916 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3CC)[C@@H]2C1 ZINC000978372402 746258675 /nfs/dbraw/zinc/25/86/75/746258675.db2.gz NQZIOBLOKLKITC-APIJFGDWSA-N 1 1 327.856 0.754 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3ccn(C)n3)CC2)C1=O ZINC001001454485 746393104 /nfs/dbraw/zinc/39/31/04/746393104.db2.gz XJIHCWQUNUBIKM-MRXNPFEDSA-N 1 1 343.431 0.569 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC(=O)CC3)[C@@H]2C1 ZINC000978540356 746402898 /nfs/dbraw/zinc/40/28/98/746402898.db2.gz FDYDQPIJPKYRBS-SYQHCUMBSA-N 1 1 325.840 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1CC ZINC001087818657 746411924 /nfs/dbraw/zinc/41/19/24/746411924.db2.gz FIPBVYHWWKEXLP-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]nc3[C@H]3CCOC3)[C@@H]2C1 ZINC000978547908 746415646 /nfs/dbraw/zinc/41/56/46/746415646.db2.gz JEMHFEUVELZUQW-DARAHFNDSA-N 1 1 328.416 0.845 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2ncccn2)CC1 ZINC001001491402 746429089 /nfs/dbraw/zinc/42/90/89/746429089.db2.gz JKZQSRUAFHPVJU-KRWDZBQOSA-N 1 1 341.459 0.902 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2ncccn2)CC1 ZINC001001491402 746429091 /nfs/dbraw/zinc/42/90/91/746429091.db2.gz JKZQSRUAFHPVJU-KRWDZBQOSA-N 1 1 341.459 0.902 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1CC ZINC001087827054 746434558 /nfs/dbraw/zinc/43/45/58/746434558.db2.gz VIHZMKLEZFEDGL-NWDGAFQWSA-N 1 1 340.811 0.821 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1CC ZINC001087827054 746434559 /nfs/dbraw/zinc/43/45/59/746434559.db2.gz VIHZMKLEZFEDGL-NWDGAFQWSA-N 1 1 340.811 0.821 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]nc3[C@H]3CCOC3)[C@@H]2C1 ZINC000978556553 746437544 /nfs/dbraw/zinc/43/75/44/746437544.db2.gz NXYDTMKSGDWIEQ-DARAHFNDSA-N 1 1 328.416 0.845 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3[nH]nnc3C)[C@@H]2C1 ZINC000978557436 746438074 /nfs/dbraw/zinc/43/80/74/746438074.db2.gz FSAXSEZJDYZNJC-RTCCRHLQSA-N 1 1 340.225 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001087424202 746438448 /nfs/dbraw/zinc/43/84/48/746438448.db2.gz OFUQPFZTAQQCLD-QRVBRYPASA-N 1 1 341.455 0.925 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001087424202 746438452 /nfs/dbraw/zinc/43/84/52/746438452.db2.gz OFUQPFZTAQQCLD-QRVBRYPASA-N 1 1 341.455 0.925 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCNC4=O)[C@@H]3C2)c1 ZINC000978584806 746472281 /nfs/dbraw/zinc/47/22/81/746472281.db2.gz PUZUAUXCXWYIKM-LUKYLMHMSA-N 1 1 338.411 0.488 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCNC4=O)[C@@H]3C2)s1 ZINC000978601301 746497349 /nfs/dbraw/zinc/49/73/49/746497349.db2.gz JOGIIICTRFVIBX-ZQDZILKHSA-N 1 1 344.440 0.550 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@H]2CCCN(C(=O)C(F)F)C2)C1=O ZINC001087853389 746504778 /nfs/dbraw/zinc/50/47/78/746504778.db2.gz MZLFHWYRLVFVMB-STQMWFEESA-N 1 1 345.390 0.324 20 30 ECEDMO Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)n1 ZINC001083418639 746523263 /nfs/dbraw/zinc/52/32/63/746523263.db2.gz SPTOCLOWMDWWCA-CVEARBPZSA-N 1 1 342.403 0.175 20 30 ECEDMO Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)n1 ZINC001083418639 746523267 /nfs/dbraw/zinc/52/32/67/746523267.db2.gz SPTOCLOWMDWWCA-CVEARBPZSA-N 1 1 342.403 0.175 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978649589 746542521 /nfs/dbraw/zinc/54/25/21/746542521.db2.gz JJOMRCXSGQRWSY-OSAQELSMSA-N 1 1 329.404 0.605 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)c1 ZINC000978717137 746617446 /nfs/dbraw/zinc/61/74/46/746617446.db2.gz YDAKCVKFRPGCMB-NXOAAHMSSA-N 1 1 338.411 0.201 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)n1 ZINC001087911222 746645715 /nfs/dbraw/zinc/64/57/15/746645715.db2.gz NQIJHFVVFIHYHM-MAZHCROVSA-N 1 1 330.436 0.835 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)c[nH]c3CC(N)=O)[C@@H]2C1 ZINC000978743977 746671055 /nfs/dbraw/zinc/67/10/55/746671055.db2.gz HVZGOPNXMQHPBD-ZSOGYDGISA-N 1 1 330.432 0.835 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001027667933 746695315 /nfs/dbraw/zinc/69/53/15/746695315.db2.gz YWALYQDHYIVKFV-HUUCEWRRSA-N 1 1 343.855 0.909 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001027667933 746695320 /nfs/dbraw/zinc/69/53/20/746695320.db2.gz YWALYQDHYIVKFV-HUUCEWRRSA-N 1 1 343.855 0.909 20 30 ECEDMO COCCN(CCNC(=O)C[N@@H+](C)C1CCC1)c1cnc(C#N)cn1 ZINC001126561711 746717837 /nfs/dbraw/zinc/71/78/37/746717837.db2.gz MGVYHXVHURWKIR-UHFFFAOYSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4conc4C)C[C@H]32)nn1 ZINC000978820491 746748017 /nfs/dbraw/zinc/74/80/17/746748017.db2.gz UBKBAIPOWYUZOG-QKDCVEJESA-N 1 1 342.403 0.868 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000978844448 746772389 /nfs/dbraw/zinc/77/23/89/746772389.db2.gz WQCOLMMPLDGPFJ-JLJPHGGASA-N 1 1 340.427 0.639 20 30 ECEDMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n1 ZINC000978853988 746802032 /nfs/dbraw/zinc/80/20/32/746802032.db2.gz JHYUDJUFVKFMBE-PHZGNYQRSA-N 1 1 336.399 0.795 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)nn1 ZINC001105340856 746803440 /nfs/dbraw/zinc/80/34/40/746803440.db2.gz SYHNQSOMILRXOO-CYBMUJFWSA-N 1 1 343.435 0.929 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001001932438 746815663 /nfs/dbraw/zinc/81/56/63/746815663.db2.gz BNONQVUCKBRCDZ-ZDUSSCGKSA-N 1 1 349.884 0.601 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)COc2cccc(C(N)=O)c2)C1 ZINC001027692273 746848872 /nfs/dbraw/zinc/84/88/72/746848872.db2.gz DOOFCVCXQHDQLX-OAHLLOKOSA-N 1 1 329.400 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cn3ccnc3)C2)C1=O ZINC001027702233 746915809 /nfs/dbraw/zinc/91/58/09/746915809.db2.gz YNEUSYDCJQATNN-CVEARBPZSA-N 1 1 345.447 0.593 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007154710 752134772 /nfs/dbraw/zinc/13/47/72/752134772.db2.gz HAZRCIVRHQFABY-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007154710 752134776 /nfs/dbraw/zinc/13/47/76/752134776.db2.gz HAZRCIVRHQFABY-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3cn(C)nn3)CC2)nc1 ZINC001002056727 746934606 /nfs/dbraw/zinc/93/46/06/746934606.db2.gz BLFQPIVDVZHVGO-UHFFFAOYSA-N 1 1 338.415 0.833 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(Cn4cccn4)on3)[C@@H]2C1 ZINC000978948867 746938806 /nfs/dbraw/zinc/93/88/06/746938806.db2.gz YAICDASOVSAZPP-PHZGNYQRSA-N 1 1 339.399 0.850 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cscn2)C1 ZINC000978951556 746943656 /nfs/dbraw/zinc/94/36/56/746943656.db2.gz AMZSSRIRJUGMFV-GUTXKFCHSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cscn2)C1 ZINC000978951556 746943660 /nfs/dbraw/zinc/94/36/60/746943660.db2.gz AMZSSRIRJUGMFV-GUTXKFCHSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2ccoc2)C1 ZINC000978952460 746945654 /nfs/dbraw/zinc/94/56/54/746945654.db2.gz HZMPBFNHMHJURA-BBWFWOEESA-N 1 1 343.427 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2ccoc2)C1 ZINC000978952460 746945656 /nfs/dbraw/zinc/94/56/56/746945656.db2.gz HZMPBFNHMHJURA-BBWFWOEESA-N 1 1 343.427 0.931 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001020781445 752136703 /nfs/dbraw/zinc/13/67/03/752136703.db2.gz JVQDTVPVMPFLJX-JOCQHMNTSA-N 1 1 326.360 0.736 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001020781445 752136708 /nfs/dbraw/zinc/13/67/08/752136708.db2.gz JVQDTVPVMPFLJX-JOCQHMNTSA-N 1 1 326.360 0.736 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c[nH]1 ZINC001007157058 752139147 /nfs/dbraw/zinc/13/91/47/752139147.db2.gz RFRRSLFXZYPXOU-UKRRQHHQSA-N 1 1 343.431 0.997 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC000984826143 746986267 /nfs/dbraw/zinc/98/62/67/746986267.db2.gz MQSZYVDTIZLVLI-SYQHCUMBSA-N 1 1 349.435 0.711 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@H]32)nc1 ZINC000978984634 747019975 /nfs/dbraw/zinc/01/99/75/747019975.db2.gz IMWVZKFITBMDPR-QKDCVEJESA-N 1 1 337.383 0.862 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@H]32)nc1 ZINC000978984634 747019985 /nfs/dbraw/zinc/01/99/85/747019985.db2.gz IMWVZKFITBMDPR-QKDCVEJESA-N 1 1 337.383 0.862 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC000979021599 747049784 /nfs/dbraw/zinc/04/97/84/747049784.db2.gz URHLIFGIDAXZAM-YFKTTZPYSA-N 1 1 342.237 0.468 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088032179 747113206 /nfs/dbraw/zinc/11/32/06/747113206.db2.gz DDYTVIBUEXDFMO-ILXRZTDVSA-N 1 1 326.462 0.778 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@@H]2C1 ZINC001088042177 747131902 /nfs/dbraw/zinc/13/19/02/747131902.db2.gz BMORZJFHDGXGIU-KGLIPLIRSA-N 1 1 329.400 0.801 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@@H]2C1 ZINC000979069409 747141717 /nfs/dbraw/zinc/14/17/17/747141717.db2.gz CMIDKRDYKJTBEP-XQLPTFJDSA-N 1 1 326.462 0.824 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088053281 747160195 /nfs/dbraw/zinc/16/01/95/747160195.db2.gz BNFKHCKTVFXKGV-OWCLPIDISA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088053281 747160200 /nfs/dbraw/zinc/16/02/00/747160200.db2.gz BNFKHCKTVFXKGV-OWCLPIDISA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@@H]2C1 ZINC001088054739 747163281 /nfs/dbraw/zinc/16/32/81/747163281.db2.gz SLOOSXGCFGGXHL-KFWWJZLASA-N 1 1 328.416 0.941 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)C[C@@H]2C1 ZINC001088060114 747171680 /nfs/dbraw/zinc/17/16/80/747171680.db2.gz MDUJMVXICUYLRQ-OLZOCXBDSA-N 1 1 342.407 0.274 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccc(=O)[nH]n2)C1=O ZINC001027737005 747269357 /nfs/dbraw/zinc/26/93/57/747269357.db2.gz JAQRVLICNPRJHU-TZMCWYRMSA-N 1 1 345.403 0.163 20 30 ECEDMO C[C@@H]([NH2+]Cc1nncs1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979264616 747492821 /nfs/dbraw/zinc/49/28/21/747492821.db2.gz FYQOYPWFEBHCOS-MFKMUULPSA-N 1 1 346.416 0.757 20 30 ECEDMO C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979292269 747525322 /nfs/dbraw/zinc/52/53/22/747525322.db2.gz LEWSIRTWAGZHSP-BXUZGUMPSA-N 1 1 343.391 0.034 20 30 ECEDMO Cc1nnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)s1 ZINC000979286122 747537607 /nfs/dbraw/zinc/53/76/07/747537607.db2.gz BGGXCWQMRKNNPG-SMDDNHRTSA-N 1 1 334.445 0.965 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088154717 747548408 /nfs/dbraw/zinc/54/84/08/747548408.db2.gz CWBAZKRXYKIDJC-XHSDSOJGSA-N 1 1 343.431 0.342 20 30 ECEDMO Cc1nonc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979297160 747563242 /nfs/dbraw/zinc/56/32/42/747563242.db2.gz UQMJCUIBYGAMIV-ABAIWWIYSA-N 1 1 344.375 0.597 20 30 ECEDMO C[C@@H]([NH2+]Cc1nncs1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979298070 747565786 /nfs/dbraw/zinc/56/57/86/747565786.db2.gz WJBXEUPZHQVFQS-ZWNOBZJWSA-N 1 1 346.416 0.757 20 30 ECEDMO C=C(Br)C[N@@H+](C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985252841 747595410 /nfs/dbraw/zinc/59/54/10/747595410.db2.gz ASGLCLYURQKJEZ-UHFFFAOYSA-N 1 1 343.229 0.505 20 30 ECEDMO C=C(Br)C[N@H+](C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985252841 747595415 /nfs/dbraw/zinc/59/54/15/747595415.db2.gz ASGLCLYURQKJEZ-UHFFFAOYSA-N 1 1 343.229 0.505 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000982433693 752197176 /nfs/dbraw/zinc/19/71/76/752197176.db2.gz QOBGHHRBUGXCKI-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000982433693 752197180 /nfs/dbraw/zinc/19/71/80/752197180.db2.gz QOBGHHRBUGXCKI-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000979330713 747624277 /nfs/dbraw/zinc/62/42/77/747624277.db2.gz JGGOXWBTXPMZPK-LEOABGAYSA-N 1 1 335.448 0.683 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@@H]2C1 ZINC001088206692 747738902 /nfs/dbraw/zinc/73/89/02/747738902.db2.gz AWOCWWNFVQQMOG-FGTMMUONSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]2C1 ZINC001088224891 747771029 /nfs/dbraw/zinc/77/10/29/747771029.db2.gz STJDHHSBXRBDHA-CABCVRRESA-N 1 1 326.400 0.598 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001088226463 747773621 /nfs/dbraw/zinc/77/36/21/747773621.db2.gz PNFRKWMYAMLXKH-MRXNPFEDSA-N 1 1 348.451 0.579 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001088235703 747819040 /nfs/dbraw/zinc/81/90/40/747819040.db2.gz ZYSALJYWOQPWKU-JKSUJKDBSA-N 1 1 335.448 0.638 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)Cn3ncnn3)CC2)s1 ZINC001002821655 747831586 /nfs/dbraw/zinc/83/15/86/747831586.db2.gz CLIONIGEMCMHOP-UHFFFAOYSA-N 1 1 331.405 0.387 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001088237351 747837590 /nfs/dbraw/zinc/83/75/90/747837590.db2.gz QVWPSPIHIUCZPK-CVEARBPZSA-N 1 1 348.447 0.021 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ncoc2C)C1 ZINC001002830159 747846498 /nfs/dbraw/zinc/84/64/98/747846498.db2.gz QOYXBDJNAKOPAY-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ncoc2C)C1 ZINC001002830159 747846507 /nfs/dbraw/zinc/84/65/07/747846507.db2.gz QOYXBDJNAKOPAY-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](OC)C2CC2)C1 ZINC001002829770 747846833 /nfs/dbraw/zinc/84/68/33/747846833.db2.gz OKOLNOGPKTUBCY-HOTGVXAUSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](OC)C2CC2)C1 ZINC001002829770 747846842 /nfs/dbraw/zinc/84/68/42/747846842.db2.gz OKOLNOGPKTUBCY-HOTGVXAUSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001002834179 747855248 /nfs/dbraw/zinc/85/52/48/747855248.db2.gz CLSFMLGFXYWQOE-INIZCTEOSA-N 1 1 328.416 0.229 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001002834179 747855259 /nfs/dbraw/zinc/85/52/59/747855259.db2.gz CLSFMLGFXYWQOE-INIZCTEOSA-N 1 1 328.416 0.229 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2(CF)CCC2)C1 ZINC001002836193 747858348 /nfs/dbraw/zinc/85/83/48/747858348.db2.gz RQUMBSIUYHENMJ-HNNXBMFYSA-N 1 1 335.423 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2(CF)CCC2)C1 ZINC001002836193 747858356 /nfs/dbraw/zinc/85/83/56/747858356.db2.gz RQUMBSIUYHENMJ-HNNXBMFYSA-N 1 1 335.423 0.798 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C#C)cc2)C1 ZINC001002836095 747858683 /nfs/dbraw/zinc/85/86/83/747858683.db2.gz QLQMSVLREOKJDG-IBGZPJMESA-N 1 1 349.434 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C#C)cc2)C1 ZINC001002836095 747858695 /nfs/dbraw/zinc/85/86/95/747858695.db2.gz QLQMSVLREOKJDG-IBGZPJMESA-N 1 1 349.434 0.954 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985392946 747891390 /nfs/dbraw/zinc/89/13/90/747891390.db2.gz ZNQBNFNOOOACSZ-LLVKDONJSA-N 1 1 342.407 0.707 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985392946 747891395 /nfs/dbraw/zinc/89/13/95/747891395.db2.gz ZNQBNFNOOOACSZ-LLVKDONJSA-N 1 1 342.407 0.707 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC000979466442 747903298 /nfs/dbraw/zinc/90/32/98/747903298.db2.gz MHMQIVRLTSWTBP-BPUTZDHNSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC000979466442 747903302 /nfs/dbraw/zinc/90/33/02/747903302.db2.gz MHMQIVRLTSWTBP-BPUTZDHNSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001088240106 747942927 /nfs/dbraw/zinc/94/29/27/747942927.db2.gz PFHIOIPYDPDSPB-MRXNPFEDSA-N 1 1 331.420 0.241 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000985427807 747992194 /nfs/dbraw/zinc/99/21/94/747992194.db2.gz FUEGWCUUAPWCLN-ZDUSSCGKSA-N 1 1 331.420 0.871 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H](O)Cn2cccn2)c1 ZINC001027813753 748010530 /nfs/dbraw/zinc/01/05/30/748010530.db2.gz AHXXRDCUFZXSOQ-CABCVRRESA-N 1 1 342.403 0.338 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3ccnn3C)C2)C1=O ZINC001029672025 748025097 /nfs/dbraw/zinc/02/50/97/748025097.db2.gz XNOBJRGVEZLSRW-LSDHHAIUSA-N 1 1 345.447 0.601 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+]2C[C@@H]2CCc3ncnn32)c1 ZINC001027815635 748026012 /nfs/dbraw/zinc/02/60/12/748026012.db2.gz YKCSNLVXDPVMQR-KGLIPLIRSA-N 1 1 339.403 0.860 20 30 ECEDMO Cn1ncc(C[N@H+](C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001029689996 748077135 /nfs/dbraw/zinc/07/71/35/748077135.db2.gz CXXBPPVNXSDTIS-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001029689996 748077139 /nfs/dbraw/zinc/07/71/39/748077139.db2.gz CXXBPPVNXSDTIS-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO CN1CCC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001029690891 748079246 /nfs/dbraw/zinc/07/92/46/748079246.db2.gz KEUWQVBPBSKWBS-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2nnc(C)o2)CC1 ZINC000985477008 748213122 /nfs/dbraw/zinc/21/31/22/748213122.db2.gz YMWJJZLNTCAMHL-INIZCTEOSA-N 1 1 345.447 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2nnc(C)o2)CC1 ZINC000985477008 748213128 /nfs/dbraw/zinc/21/31/28/748213128.db2.gz YMWJJZLNTCAMHL-INIZCTEOSA-N 1 1 345.447 0.898 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001027828336 748227640 /nfs/dbraw/zinc/22/76/40/748227640.db2.gz JKDDLPLYXUGXIP-RTBURBONSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001027828336 748227644 /nfs/dbraw/zinc/22/76/44/748227644.db2.gz JKDDLPLYXUGXIP-RTBURBONSA-N 1 1 341.455 0.949 20 30 ECEDMO C[NH+]=C(NCc1cn[nH]c1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261694276 752252644 /nfs/dbraw/zinc/25/26/44/752252644.db2.gz FLCRPRMEYWUANT-MRXNPFEDSA-N 1 1 347.423 0.104 20 30 ECEDMO CN(CC1CCN(C(=O)C#CC2CC2)CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000988529418 752256710 /nfs/dbraw/zinc/25/67/10/752256710.db2.gz RMLFRXMVZRGSPK-KRWDZBQOSA-N 1 1 347.459 0.427 20 30 ECEDMO CN(CC1CCN(C(=O)C#CC2CC2)CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000988529418 752256714 /nfs/dbraw/zinc/25/67/14/752256714.db2.gz RMLFRXMVZRGSPK-KRWDZBQOSA-N 1 1 347.459 0.427 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000979789675 748420559 /nfs/dbraw/zinc/42/05/59/748420559.db2.gz HWDQHZUENVISFY-HHARLNAUSA-N 1 1 349.475 0.930 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001088281785 748482415 /nfs/dbraw/zinc/48/24/15/748482415.db2.gz TVJAMZQANUFKDS-UONOGXRCSA-N 1 1 346.435 0.829 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccc(C#N)c3)C2)n1 ZINC001029806746 748502552 /nfs/dbraw/zinc/50/25/52/748502552.db2.gz RCDMXKCDJBMWTI-HNNXBMFYSA-N 1 1 339.403 0.676 20 30 ECEDMO CC#CCNCc1cn([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001098728407 748519812 /nfs/dbraw/zinc/51/98/12/748519812.db2.gz OSUFYEFFUCCWEC-DOTOQJQBSA-N 1 1 344.463 0.649 20 30 ECEDMO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)c1 ZINC001003533510 748653250 /nfs/dbraw/zinc/65/32/50/748653250.db2.gz ZZFPWLDXQYUMBU-HNNXBMFYSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1=O ZINC000985586416 748653739 /nfs/dbraw/zinc/65/37/39/748653739.db2.gz IDDZJUOEJZQPLN-TWMKSMIVSA-N 1 1 347.459 0.589 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)s1 ZINC001003642857 748755424 /nfs/dbraw/zinc/75/54/24/748755424.db2.gz RUMPNYXRTMZZOI-KGLIPLIRSA-N 1 1 332.429 0.822 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CS(=O)(=O)C3)C[C@@H]2C1 ZINC000979979061 748756217 /nfs/dbraw/zinc/75/62/17/748756217.db2.gz JYOHOKFDJRRULY-XHSDSOJGSA-N 1 1 338.473 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2ccco2)C1 ZINC000979969171 748762600 /nfs/dbraw/zinc/76/26/00/748762600.db2.gz XRUGTDNATWZGNB-ZOBUZTSGSA-N 1 1 343.427 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2ccco2)C1 ZINC000979969171 748762607 /nfs/dbraw/zinc/76/26/07/748762607.db2.gz XRUGTDNATWZGNB-ZOBUZTSGSA-N 1 1 343.427 0.931 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000979969164 748763070 /nfs/dbraw/zinc/76/30/70/748763070.db2.gz XMXJNVCCHBJZBZ-QAETUUGQSA-N 1 1 346.475 0.189 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@@H+](C)CC(=O)N3CCC3)CC2)c1 ZINC000985638402 748774500 /nfs/dbraw/zinc/77/45/00/748774500.db2.gz UYQVSBLJSCEABI-UHFFFAOYSA-N 1 1 340.427 0.832 20 30 ECEDMO C#CCOc1ccc(C(=O)NC2CC[NH+]([C@@H](C)C(N)=O)CC2)cc1 ZINC001003757783 748865586 /nfs/dbraw/zinc/86/55/86/748865586.db2.gz ULFFYPDBVIJWRA-ZDUSSCGKSA-N 1 1 329.400 0.767 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@@H+](C)Cc3nccn3C)CC2)nn1 ZINC000985694853 748881342 /nfs/dbraw/zinc/88/13/42/748881342.db2.gz HWCIWQVHWXNETD-UHFFFAOYSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3nccn3C)CC2)nn1 ZINC000985694853 748881346 /nfs/dbraw/zinc/88/13/46/748881346.db2.gz HWCIWQVHWXNETD-UHFFFAOYSA-N 1 1 343.435 0.934 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000985698088 748885106 /nfs/dbraw/zinc/88/51/06/748885106.db2.gz YHEKFZBCJKGKGE-CYBMUJFWSA-N 1 1 349.884 0.696 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnn(CC)n2)C1=O ZINC001027869635 748896947 /nfs/dbraw/zinc/89/69/47/748896947.db2.gz KKCZIYOAOZXOKF-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnn(CC)n2)C1=O ZINC001027869635 748896951 /nfs/dbraw/zinc/89/69/51/748896951.db2.gz KKCZIYOAOZXOKF-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cnco2)C1 ZINC000980067290 748928526 /nfs/dbraw/zinc/92/85/26/748928526.db2.gz WJEOILYCSIXELP-IHRRRGAJSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cnco2)C1 ZINC000980067290 748928529 /nfs/dbraw/zinc/92/85/29/748928529.db2.gz WJEOILYCSIXELP-IHRRRGAJSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000985720263 748950591 /nfs/dbraw/zinc/95/05/91/748950591.db2.gz KYUVLEODBZXFDO-CQSZACIVSA-N 1 1 331.420 0.484 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cnon3)C2)nn1 ZINC001029859683 748951783 /nfs/dbraw/zinc/95/17/83/748951783.db2.gz GYIXMKLKBREWAV-LBPRGKRZSA-N 1 1 331.380 0.441 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cnon3)C2)nn1 ZINC001029859683 748951787 /nfs/dbraw/zinc/95/17/87/748951787.db2.gz GYIXMKLKBREWAV-LBPRGKRZSA-N 1 1 331.380 0.441 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC000980155553 749081153 /nfs/dbraw/zinc/08/11/53/749081153.db2.gz FJIWWUHYOLQKFA-MELADBBJSA-N 1 1 332.404 0.352 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059648262 749113294 /nfs/dbraw/zinc/11/32/94/749113294.db2.gz PJIGAMFTLJHARQ-HZPDHXFCSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nnnc3C(C)C)C[C@@H]2C1 ZINC000980181358 749117915 /nfs/dbraw/zinc/11/79/15/749117915.db2.gz DAKCVESSBJBECJ-ZNMIVQPWSA-N 1 1 330.436 0.646 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980186960 749139508 /nfs/dbraw/zinc/13/95/08/749139508.db2.gz QELNOSZMZTVPLX-DUVNUKRYSA-N 1 1 344.390 0.899 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001059654473 749149417 /nfs/dbraw/zinc/14/94/17/749149417.db2.gz HGKIBKISUIJFQI-IJEWVQPXSA-N 1 1 329.404 0.155 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001059654473 749149421 /nfs/dbraw/zinc/14/94/21/749149421.db2.gz HGKIBKISUIJFQI-IJEWVQPXSA-N 1 1 329.404 0.155 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001059654474 749150646 /nfs/dbraw/zinc/15/06/46/749150646.db2.gz HGKIBKISUIJFQI-LZWOXQAQSA-N 1 1 329.404 0.155 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001059654474 749150650 /nfs/dbraw/zinc/15/06/50/749150650.db2.gz HGKIBKISUIJFQI-LZWOXQAQSA-N 1 1 329.404 0.155 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)Cn3ccnc3)CC2)C1=O ZINC000985816873 749161078 /nfs/dbraw/zinc/16/10/78/749161078.db2.gz RVWLIFGDUNNODX-MRXNPFEDSA-N 1 1 345.447 0.593 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C[C@@H]3C[C@@H]3C)CC2)CC1 ZINC000985826831 749186641 /nfs/dbraw/zinc/18/66/41/749186641.db2.gz GIHOYLXYEGDNBQ-IRXDYDNUSA-N 1 1 346.475 0.938 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H](F)CC)CC2)CC1 ZINC000985830932 749199970 /nfs/dbraw/zinc/19/99/70/749199970.db2.gz XOBAGAAHVSPBMY-OAHLLOKOSA-N 1 1 338.427 0.640 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccnc3C(N)=O)C[C@H]2C1 ZINC000980248958 749239681 /nfs/dbraw/zinc/23/96/81/749239681.db2.gz XFRWCCKHWLLWOE-IHRRRGAJSA-N 1 1 326.400 0.644 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000980238242 749241299 /nfs/dbraw/zinc/24/12/99/749241299.db2.gz VMCOAGOGMVCJMV-MJBXVCDLSA-N 1 1 348.447 0.720 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C[C@@H]2C1 ZINC000980251820 749257473 /nfs/dbraw/zinc/25/74/73/749257473.db2.gz GPWXWRDSPDAARH-BFHYXJOUSA-N 1 1 346.435 0.170 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC000980265936 749274616 /nfs/dbraw/zinc/27/46/16/749274616.db2.gz WVQXKJVGOCUGKY-JSGCOSHPSA-N 1 1 349.884 0.744 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC000980265936 749274619 /nfs/dbraw/zinc/27/46/19/749274619.db2.gz WVQXKJVGOCUGKY-JSGCOSHPSA-N 1 1 349.884 0.744 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCOC3)C2)nn1 ZINC001098632162 749285403 /nfs/dbraw/zinc/28/54/03/749285403.db2.gz AELNIUUKQHHWIR-HOCLYGCPSA-N 1 1 349.435 0.380 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC001004198872 749305371 /nfs/dbraw/zinc/30/53/71/749305371.db2.gz KHJCMCFLQJBDER-DYVFJYSZSA-N 1 1 340.427 0.449 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001004199880 749306595 /nfs/dbraw/zinc/30/65/95/749306595.db2.gz VVHOFRGFQFHORJ-CXAGYDPISA-N 1 1 340.427 0.591 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CCNC(=O)CSCC#N)C2)C1 ZINC001059671790 749314658 /nfs/dbraw/zinc/31/46/58/749314658.db2.gz LBKVQMXSYKMVEV-KGLIPLIRSA-N 1 1 338.477 0.550 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059675867 749361578 /nfs/dbraw/zinc/36/15/78/749361578.db2.gz DLLJISZYCHMSNO-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC(N)=O)CC2)c1 ZINC001004393013 749460751 /nfs/dbraw/zinc/46/07/51/749460751.db2.gz MNYVQGURVDEBHK-HNNXBMFYSA-N 1 1 329.404 0.688 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CN=NC2=O)CC1 ZINC001004410014 749473749 /nfs/dbraw/zinc/47/37/49/749473749.db2.gz XCWXUAXIKQAUMC-HNNXBMFYSA-N 1 1 331.420 0.710 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC001004446355 749508256 /nfs/dbraw/zinc/50/82/56/749508256.db2.gz KMWAQQSCZLPEFI-GOEBONIOSA-N 1 1 345.443 0.860 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001004509044 749581248 /nfs/dbraw/zinc/58/12/48/749581248.db2.gz WQUMYSLDFHHDQM-HZPDHXFCSA-N 1 1 332.448 0.736 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1C ZINC000986135963 749606922 /nfs/dbraw/zinc/60/69/22/749606922.db2.gz RBGCJPLWVDQCQG-AAEUAGOBSA-N 1 1 341.419 0.970 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)nn1 ZINC000986171500 749628823 /nfs/dbraw/zinc/62/88/23/749628823.db2.gz ZPMAKNYNHMPSTH-RISCZKNCSA-N 1 1 327.392 0.891 20 30 ECEDMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000980480239 749642296 /nfs/dbraw/zinc/64/22/96/749642296.db2.gz INOCEUKGVVDKEB-PWSUYJOCSA-N 1 1 328.380 0.050 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)n1 ZINC000986189796 749648942 /nfs/dbraw/zinc/64/89/42/749648942.db2.gz XNEGEOJDULTDSP-ABAIWWIYSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2nccnc2C(N)=O)CC1 ZINC001004622583 749700189 /nfs/dbraw/zinc/70/01/89/749700189.db2.gz NZBNPWVMFFAUIU-AWEZNQCLSA-N 1 1 341.415 0.525 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004637828 749717675 /nfs/dbraw/zinc/71/76/75/749717675.db2.gz XHPJGGBXQZSJJC-CABCVRRESA-N 1 1 333.432 0.928 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000980550611 749737357 /nfs/dbraw/zinc/73/73/57/749737357.db2.gz SARUGZZXOJSTRG-GBOPCIDUSA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000980548141 749760261 /nfs/dbraw/zinc/76/02/61/749760261.db2.gz CDHZRYDJGLITKF-GBOPCIDUSA-N 1 1 343.431 0.709 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC000986367632 749857495 /nfs/dbraw/zinc/85/74/95/749857495.db2.gz XYTKSPQKZGSCHH-CHWSQXEVSA-N 1 1 329.408 0.590 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2nnc3n2CCOC3)CC1 ZINC001029946112 750024301 /nfs/dbraw/zinc/02/43/01/750024301.db2.gz HAMUZMKSCDCOFJ-ZDUSSCGKSA-N 1 1 346.435 0.638 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(C[N@@H+](C)Cc2nnc3n2CCOC3)CC1 ZINC001029946112 750024311 /nfs/dbraw/zinc/02/43/11/750024311.db2.gz HAMUZMKSCDCOFJ-ZDUSSCGKSA-N 1 1 346.435 0.638 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001058844112 750050479 /nfs/dbraw/zinc/05/04/79/750050479.db2.gz SYHHJXHUYNHZRX-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058844225 750071428 /nfs/dbraw/zinc/07/14/28/750071428.db2.gz XCMQQSHPMHZQPH-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 ZINC001058850211 750187116 /nfs/dbraw/zinc/18/71/16/750187116.db2.gz HIATVENFZHWJPC-UHFFFAOYSA-N 1 1 335.448 0.069 20 30 ECEDMO COc1ccc(C#N)cc1CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030181828 762016978 /nfs/dbraw/zinc/01/69/78/762016978.db2.gz GZIKLCMROYVQLZ-QGZVFWFLSA-N 1 1 344.415 0.198 20 30 ECEDMO COc1ccc(C#N)cc1CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030181828 762016985 /nfs/dbraw/zinc/01/69/85/762016985.db2.gz GZIKLCMROYVQLZ-QGZVFWFLSA-N 1 1 344.415 0.198 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001027993864 750250218 /nfs/dbraw/zinc/25/02/18/750250218.db2.gz CGMOEEANMCEICJ-NSHDSACASA-N 1 1 327.406 0.697 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001059737121 750264872 /nfs/dbraw/zinc/26/48/72/750264872.db2.gz ILMGCGRAVJADCY-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001059737121 750264878 /nfs/dbraw/zinc/26/48/78/750264878.db2.gz ILMGCGRAVJADCY-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cccc(=O)[nH]3)CC2)C1=O ZINC000980907276 750339259 /nfs/dbraw/zinc/33/92/59/750339259.db2.gz SFWXUWCEENTPEZ-OAHLLOKOSA-N 1 1 344.415 0.722 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cccc(=O)[nH]3)CC2)C1=O ZINC000980907276 750339266 /nfs/dbraw/zinc/33/92/66/750339266.db2.gz SFWXUWCEENTPEZ-OAHLLOKOSA-N 1 1 344.415 0.722 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058857488 750353729 /nfs/dbraw/zinc/35/37/29/750353729.db2.gz RBTRDQNGFQMZFO-JSGCOSHPSA-N 1 1 344.419 0.254 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058857488 750353737 /nfs/dbraw/zinc/35/37/37/750353737.db2.gz RBTRDQNGFQMZFO-JSGCOSHPSA-N 1 1 344.419 0.254 20 30 ECEDMO CN(CCN(C)c1ncc(C#N)cc1F)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001105354986 750508971 /nfs/dbraw/zinc/50/89/71/750508971.db2.gz ANLZMGGMTJERQZ-CQSZACIVSA-N 1 1 335.383 0.318 20 30 ECEDMO CN(CCN(C)c1ncc(C#N)cc1F)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001105354986 750508977 /nfs/dbraw/zinc/50/89/77/750508977.db2.gz ANLZMGGMTJERQZ-CQSZACIVSA-N 1 1 335.383 0.318 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC000991605143 762046567 /nfs/dbraw/zinc/04/65/67/762046567.db2.gz CYQZOEBXJHPNAX-KGLIPLIRSA-N 1 1 334.420 0.482 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)[C@@H]2C)nn1 ZINC000987166531 750560173 /nfs/dbraw/zinc/56/01/73/750560173.db2.gz HHZLATBUVATBLR-QWHCGFSZSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001028086653 750615320 /nfs/dbraw/zinc/61/53/20/750615320.db2.gz XTMZGASDJJKYHE-ARKGTOAJSA-N 1 1 333.432 0.246 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(CC(=O)N(C)C2CC2)CC1 ZINC000981361352 750624461 /nfs/dbraw/zinc/62/44/61/750624461.db2.gz HHERIVYUCGXDML-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CC(=O)N(C)C2CC2)CC1 ZINC000981361352 750624464 /nfs/dbraw/zinc/62/44/64/750624464.db2.gz HHERIVYUCGXDML-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nncs2)CC1 ZINC000981365059 750627822 /nfs/dbraw/zinc/62/78/22/750627822.db2.gz GYZIZJYQGUIJGV-AWEZNQCLSA-N 1 1 333.461 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nncs2)CC1 ZINC000981365059 750627825 /nfs/dbraw/zinc/62/78/25/750627825.db2.gz GYZIZJYQGUIJGV-AWEZNQCLSA-N 1 1 333.461 0.670 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088550190 750640195 /nfs/dbraw/zinc/64/01/95/750640195.db2.gz QYTPZCYOZRWQTM-KCXAZCMYSA-N 1 1 345.374 0.865 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088550190 750640197 /nfs/dbraw/zinc/64/01/97/750640197.db2.gz QYTPZCYOZRWQTM-KCXAZCMYSA-N 1 1 345.374 0.865 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C3CC(OC)C3)CC2)C1=O ZINC000981404713 750665637 /nfs/dbraw/zinc/66/56/37/750665637.db2.gz LGROQJIQJUHPIG-GPANFISMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C3CC(OC)C3)CC2)C1=O ZINC000981404713 750665640 /nfs/dbraw/zinc/66/56/40/750665640.db2.gz LGROQJIQJUHPIG-GPANFISMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnc(C)n2C)C1=O ZINC001028098845 750773015 /nfs/dbraw/zinc/77/30/15/750773015.db2.gz WQLHUFFZXGQXRG-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnc(C)n2C)C1=O ZINC001028098845 750773021 /nfs/dbraw/zinc/77/30/21/750773021.db2.gz WQLHUFFZXGQXRG-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001005938922 750821285 /nfs/dbraw/zinc/82/12/85/750821285.db2.gz NQDSZRQIQJECRZ-STQMWFEESA-N 1 1 343.431 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C)nc1 ZINC000987464341 750878025 /nfs/dbraw/zinc/87/80/25/750878025.db2.gz OGEFQFIUPYNBEB-KMFMINBZSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)c1 ZINC000987463470 750878061 /nfs/dbraw/zinc/87/80/61/750878061.db2.gz ILTWNCFLYUABRR-XOKHGSTOSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C(F)F)C1 ZINC000981625377 750899506 /nfs/dbraw/zinc/89/95/06/750899506.db2.gz OFYVJQUAWNXSIX-XQQFMLRXSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C(F)F)C1 ZINC000981625377 750899511 /nfs/dbraw/zinc/89/95/11/750899511.db2.gz OFYVJQUAWNXSIX-XQQFMLRXSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000981626077 750899726 /nfs/dbraw/zinc/89/97/26/750899726.db2.gz ZEFRIZMMWHFCQD-IMJJTQAJSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000981626077 750899733 /nfs/dbraw/zinc/89/97/33/750899733.db2.gz ZEFRIZMMWHFCQD-IMJJTQAJSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C3CC3)no2)C1 ZINC000991607102 762082292 /nfs/dbraw/zinc/08/22/92/762082292.db2.gz FSFIJCXFKMXUOZ-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C3CC3)no2)C1 ZINC000991607102 762082298 /nfs/dbraw/zinc/08/22/98/762082298.db2.gz FSFIJCXFKMXUOZ-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000987542513 750951710 /nfs/dbraw/zinc/95/17/10/750951710.db2.gz AZPFANHQZQAOGH-RISCZKNCSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3nccn3C)[C@H]2C)CC1 ZINC000987574151 750976190 /nfs/dbraw/zinc/97/61/90/750976190.db2.gz DUEKPJQUGXBPNI-NVXWUHKLSA-N 1 1 343.475 0.844 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3nccn3C)[C@@H]2C)CC1 ZINC000987574152 750976213 /nfs/dbraw/zinc/97/62/13/750976213.db2.gz DUEKPJQUGXBPNI-RDJZCZTQSA-N 1 1 343.475 0.844 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CCCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000981722348 751002424 /nfs/dbraw/zinc/00/24/24/751002424.db2.gz QHZHLPHOJWSPMG-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC000981721895 751013075 /nfs/dbraw/zinc/01/30/75/751013075.db2.gz OPWNQRQLOBHAIC-UHFFFAOYSA-N 1 1 330.396 0.418 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H]2CCCNC2=O)C3)c[nH]1 ZINC000981722111 751013863 /nfs/dbraw/zinc/01/38/63/751013863.db2.gz LYPWBKZOQKPOEY-OAHLLOKOSA-N 1 1 341.415 0.703 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000987648598 751053280 /nfs/dbraw/zinc/05/32/80/751053280.db2.gz GYJBANQTAJOWLD-IOASZLSFSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)[C@H](O)C(C)C)C3)C2)C1=O ZINC000981748278 751067313 /nfs/dbraw/zinc/06/73/13/751067313.db2.gz YKZHUDLVNWCCPT-JKSUJKDBSA-N 1 1 349.475 0.715 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC000981767757 751080642 /nfs/dbraw/zinc/08/06/42/751080642.db2.gz VRSUMJWWACICAI-CQSZACIVSA-N 1 1 343.431 0.873 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001028134894 751174462 /nfs/dbraw/zinc/17/44/62/751174462.db2.gz HHXLVQCCDOILFX-HRCADAONSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C2)C1 ZINC000981843220 751184257 /nfs/dbraw/zinc/18/42/57/751184257.db2.gz WYUNRIPRXITAFQ-UHFFFAOYSA-N 1 1 336.457 0.369 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+]([C@@H]3CCNC3=O)CC2)nc1 ZINC001006302929 751221606 /nfs/dbraw/zinc/22/16/06/751221606.db2.gz KXBYAPPLTPYCQU-MRXNPFEDSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006312977 751231479 /nfs/dbraw/zinc/23/14/79/751231479.db2.gz CXBDMRQSINSUSD-HYVNUMGLSA-N 1 1 346.475 0.141 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCCO2)C1 ZINC001006315451 751235610 /nfs/dbraw/zinc/23/56/10/751235610.db2.gz OWVSFRIYJWRJDF-CWRNSKLLSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCCO2)C1 ZINC001006315451 751235617 /nfs/dbraw/zinc/23/56/17/751235617.db2.gz OWVSFRIYJWRJDF-CWRNSKLLSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccncc2)C1 ZINC001006315415 751235765 /nfs/dbraw/zinc/23/57/65/751235765.db2.gz GWABLACDAVFCEY-YOEHRIQHSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccncc2)C1 ZINC001006315415 751235771 /nfs/dbraw/zinc/23/57/71/751235771.db2.gz GWABLACDAVFCEY-YOEHRIQHSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccnnc2)C1 ZINC001006316483 751237948 /nfs/dbraw/zinc/23/79/48/751237948.db2.gz SMEDHHXKQCUOJL-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccnnc2)C1 ZINC001006316483 751237954 /nfs/dbraw/zinc/23/79/54/751237954.db2.gz SMEDHHXKQCUOJL-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@H](O)C(C)C)C1 ZINC001006320167 751242663 /nfs/dbraw/zinc/24/26/63/751242663.db2.gz OGIFQRXOLWENJG-VNQPRFMTSA-N 1 1 335.448 0.064 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@H](O)C(C)C)C1 ZINC001006320167 751242669 /nfs/dbraw/zinc/24/26/69/751242669.db2.gz OGIFQRXOLWENJG-VNQPRFMTSA-N 1 1 335.448 0.064 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2conc2C)C1 ZINC001006321720 751243983 /nfs/dbraw/zinc/24/39/83/751243983.db2.gz RSTBJZQLWLRPJN-LRDDRELGSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2conc2C)C1 ZINC001006321720 751243985 /nfs/dbraw/zinc/24/39/85/751243985.db2.gz RSTBJZQLWLRPJN-LRDDRELGSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2ccoc2)C1 ZINC001006322789 751244817 /nfs/dbraw/zinc/24/48/17/751244817.db2.gz WMUSNCFWABVBNO-YOEHRIQHSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2ccoc2)C1 ZINC001006322789 751244820 /nfs/dbraw/zinc/24/48/20/751244820.db2.gz WMUSNCFWABVBNO-YOEHRIQHSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC000981920321 751268298 /nfs/dbraw/zinc/26/82/98/751268298.db2.gz FQEZZRVTGKNPPT-UHFFFAOYSA-N 1 1 344.415 0.686 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)cc1F ZINC001007341348 752309613 /nfs/dbraw/zinc/30/96/13/752309613.db2.gz ZRHSJARFLQJVAS-CQSZACIVSA-N 1 1 343.366 0.465 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)cc1F ZINC001007341348 752309621 /nfs/dbraw/zinc/30/96/21/752309621.db2.gz ZRHSJARFLQJVAS-CQSZACIVSA-N 1 1 343.366 0.465 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CC2CC(OCC)C2)C[C@H]1OC ZINC001212032219 752430278 /nfs/dbraw/zinc/43/02/78/752430278.db2.gz PXHLDDRHNWNXNH-QDIHITRGSA-N 1 1 326.437 0.820 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1OC ZINC001212032217 752430358 /nfs/dbraw/zinc/43/03/58/752430358.db2.gz PWRHLECSNCBYSQ-RBSFLKMASA-N 1 1 326.437 0.820 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1OC ZINC001212032423 752430444 /nfs/dbraw/zinc/43/04/44/752430444.db2.gz ZMHZRMZICXBRCJ-HZPDHXFCSA-N 1 1 346.387 0.741 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1OC ZINC001212032423 752430446 /nfs/dbraw/zinc/43/04/46/752430446.db2.gz ZMHZRMZICXBRCJ-HZPDHXFCSA-N 1 1 346.387 0.741 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)NC(=O)CC)C2)nn1 ZINC001098677925 752435657 /nfs/dbraw/zinc/43/56/57/752435657.db2.gz ABQOGDHKSNZVKS-ZFWWWQNUSA-N 1 1 348.451 0.632 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001007484905 752436742 /nfs/dbraw/zinc/43/67/42/752436742.db2.gz UTTIDGHYNIPQKN-GFCCVEGCSA-N 1 1 327.388 0.891 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cncnc3C3CC3)C2)nn1 ZINC001105367959 752466046 /nfs/dbraw/zinc/46/60/46/752466046.db2.gz KBVARIMCVXCXKK-UHFFFAOYSA-N 1 1 339.403 0.918 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001059912271 752469844 /nfs/dbraw/zinc/46/98/44/752469844.db2.gz YQHCZFKSYPCHNM-HZPDHXFCSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001059912271 752469849 /nfs/dbraw/zinc/46/98/49/752469849.db2.gz YQHCZFKSYPCHNM-HZPDHXFCSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)N2CCCC2)C1 ZINC001007519429 752475286 /nfs/dbraw/zinc/47/52/86/752475286.db2.gz RICQWLNKSFUFPI-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)N2CCCC2)C1 ZINC001007519429 752475293 /nfs/dbraw/zinc/47/52/93/752475293.db2.gz RICQWLNKSFUFPI-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC001007557958 752529595 /nfs/dbraw/zinc/52/95/95/752529595.db2.gz MNEAKQUGYXDGSZ-LPHOPBHVSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC001007557958 752529598 /nfs/dbraw/zinc/52/95/98/752529598.db2.gz MNEAKQUGYXDGSZ-LPHOPBHVSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NCc3cc(OC)no3)C2)CC1 ZINC001021090158 752529960 /nfs/dbraw/zinc/52/99/60/752529960.db2.gz NKNZUIHDWHVUAS-SHTZXODSSA-N 1 1 346.431 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001007575883 752564266 /nfs/dbraw/zinc/56/42/66/752564266.db2.gz NTAPGYAQRJYMKQ-GXTWGEPZSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001007575883 752564269 /nfs/dbraw/zinc/56/42/69/752564269.db2.gz NTAPGYAQRJYMKQ-GXTWGEPZSA-N 1 1 345.403 0.163 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC001126366281 752580975 /nfs/dbraw/zinc/58/09/75/752580975.db2.gz UCIIJGHUZVSRBU-ZDUSSCGKSA-N 1 1 334.342 0.978 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccon3)[C@@H]2C1 ZINC001021160139 752609361 /nfs/dbraw/zinc/60/93/61/752609361.db2.gz QIASKJDFXBGWHJ-CWRNSKLLSA-N 1 1 342.399 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccon3)[C@@H]2C1 ZINC001021160139 752609365 /nfs/dbraw/zinc/60/93/65/752609365.db2.gz QIASKJDFXBGWHJ-CWRNSKLLSA-N 1 1 342.399 0.445 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001007635879 752682486 /nfs/dbraw/zinc/68/24/86/752682486.db2.gz JSDFQJIPEZNYMD-AWEZNQCLSA-N 1 1 326.462 0.968 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001007635879 752682491 /nfs/dbraw/zinc/68/24/91/752682491.db2.gz JSDFQJIPEZNYMD-AWEZNQCLSA-N 1 1 326.462 0.968 20 30 ECEDMO N#Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)c[nH]1 ZINC001021234497 752685386 /nfs/dbraw/zinc/68/53/86/752685386.db2.gz OINFIJVALZZBPZ-YPAMNDHTSA-N 1 1 341.415 0.890 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)c1 ZINC001028448800 752686581 /nfs/dbraw/zinc/68/65/81/752686581.db2.gz NEAPDXLNEUWRRP-XJKSGUPXSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](C)SC)C1 ZINC000988772087 752743014 /nfs/dbraw/zinc/74/30/14/752743014.db2.gz MHOTWGJXAKKNKA-KKUMJFAQSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](C)SC)C1 ZINC000988772087 752743018 /nfs/dbraw/zinc/74/30/18/752743018.db2.gz MHOTWGJXAKKNKA-KKUMJFAQSA-N 1 1 337.489 0.943 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001028464205 752750087 /nfs/dbraw/zinc/75/00/87/752750087.db2.gz MZATUFLSEZWJDM-ZFWWWQNUSA-N 1 1 344.415 0.626 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ocnc3C)C2)C1=O ZINC001028464579 752751807 /nfs/dbraw/zinc/75/18/07/752751807.db2.gz WZLDUXHJPYPLRZ-ZIAGYGMSSA-N 1 1 332.404 0.822 20 30 ECEDMO COc1cncc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028468303 752764383 /nfs/dbraw/zinc/76/43/83/752764383.db2.gz SASYAIULTZWAKF-LBPRGKRZSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1cncc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028468303 752764385 /nfs/dbraw/zinc/76/43/85/752764385.db2.gz SASYAIULTZWAKF-LBPRGKRZSA-N 1 1 340.387 0.937 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)COCCOC)C2)nn1 ZINC001098645758 752800739 /nfs/dbraw/zinc/80/07/39/752800739.db2.gz VAJVOMDVQHTADS-HNNXBMFYSA-N 1 1 337.424 0.380 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1)C1CC1 ZINC001028486250 752822148 /nfs/dbraw/zinc/82/21/48/752822148.db2.gz CTIASTQEVQWZDW-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C)ncn3)C2)C1=O ZINC001028488532 752824737 /nfs/dbraw/zinc/82/47/37/752824737.db2.gz NIDSRBDHHBQIAR-ZBFHGGJFSA-N 1 1 343.431 0.624 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)[nH]1 ZINC001028489903 752829733 /nfs/dbraw/zinc/82/97/33/752829733.db2.gz DQGRYWOBDLBZDG-ZDUSSCGKSA-N 1 1 343.431 0.997 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000982547739 752862568 /nfs/dbraw/zinc/86/25/68/752862568.db2.gz QEBALMVGGMLLAT-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn([C@H](C)COC)nc2C)[C@@H](O)C1 ZINC001083460419 752885741 /nfs/dbraw/zinc/88/57/41/752885741.db2.gz GRGBJYFUCHKHBN-WQVCFCJDSA-N 1 1 336.436 0.750 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001059931676 752909386 /nfs/dbraw/zinc/90/93/86/752909386.db2.gz UKXYFCZHWCZBIJ-KGLIPLIRSA-N 1 1 328.420 0.633 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001059931926 752912084 /nfs/dbraw/zinc/91/20/84/752912084.db2.gz YKJABXNFVJGEON-GJZGRUSLSA-N 1 1 342.447 0.941 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001028513773 753002982 /nfs/dbraw/zinc/00/29/82/753002982.db2.gz WJNGPSRMXSNAQS-JTQLQIEISA-N 1 1 328.214 0.775 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001028513773 753002989 /nfs/dbraw/zinc/00/29/89/753002989.db2.gz WJNGPSRMXSNAQS-JTQLQIEISA-N 1 1 328.214 0.775 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@]3(C)C[N@H+]([C@@H](C)C(N)=O)C[C@]3(C)C2)nn1 ZINC000982631115 753107035 /nfs/dbraw/zinc/10/70/35/753107035.db2.gz SCFFMATZWWMAPK-AFAVFJNCSA-N 1 1 346.435 0.122 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3nnnc3C(C)C)C[C@@]2(C)C1 ZINC000982630617 753116485 /nfs/dbraw/zinc/11/64/85/753116485.db2.gz NWKYINJMQJVVEL-HDICACEKSA-N 1 1 344.463 0.990 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C3CC4(C3)NC(=O)NC4=O)C[C@@]2(C)C1 ZINC000982641316 753181647 /nfs/dbraw/zinc/18/16/47/753181647.db2.gz KZRSFOVOKBQOIR-FGKMVVGBSA-N 1 1 346.431 0.331 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(N)=O)C[C@]2(C)C1 ZINC000982642035 753183190 /nfs/dbraw/zinc/18/31/90/753183190.db2.gz PAXUXBYYMZUMGC-QXRTWZOPSA-N 1 1 335.448 0.623 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC(N)=O)C[C@]2(C)C1 ZINC000982642035 753183193 /nfs/dbraw/zinc/18/31/93/753183193.db2.gz PAXUXBYYMZUMGC-QXRTWZOPSA-N 1 1 335.448 0.623 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCn3cnnn3)CC2)cc1 ZINC000982660657 753226901 /nfs/dbraw/zinc/22/69/01/753226901.db2.gz VOEAZYXIDFSOLL-UHFFFAOYSA-N 1 1 339.403 0.669 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000982676075 753293977 /nfs/dbraw/zinc/29/39/77/753293977.db2.gz HVWWIWGVFVRMTO-ZBFHGGJFSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000982676075 753293983 /nfs/dbraw/zinc/29/39/83/753293983.db2.gz HVWWIWGVFVRMTO-ZBFHGGJFSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cncs2)C1 ZINC000938109002 753298144 /nfs/dbraw/zinc/29/81/44/753298144.db2.gz SOQQCPIHEVFTEH-ZFWWWQNUSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cncs2)C1 ZINC000938109002 753298151 /nfs/dbraw/zinc/29/81/51/753298151.db2.gz SOQQCPIHEVFTEH-ZFWWWQNUSA-N 1 1 346.456 0.500 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@]2(C)C1 ZINC000982782539 753543806 /nfs/dbraw/zinc/54/38/06/753543806.db2.gz NUJKCXCDAWOGHX-HDICACEKSA-N 1 1 348.447 0.673 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000982780378 753547735 /nfs/dbraw/zinc/54/77/35/753547735.db2.gz CXDGKOVJKJVXOL-CHWSQXEVSA-N 1 1 329.404 0.416 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@]2(C)C1 ZINC000982785600 753562336 /nfs/dbraw/zinc/56/23/36/753562336.db2.gz XYKDPWYCSXFYSH-CALCHBBNSA-N 1 1 334.420 0.237 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3nccnc3C(N)=O)C[C@@]2(C)C1 ZINC000982792844 753600188 /nfs/dbraw/zinc/60/01/88/753600188.db2.gz MMRQEQGBQOZZRQ-CALCHBBNSA-N 1 1 329.404 0.546 20 30 ECEDMO C=C(Cl)CNCc1cn(C2CN(C(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC001105372708 753680003 /nfs/dbraw/zinc/68/00/03/753680003.db2.gz TVNKIYWXRQEXOC-UHFFFAOYSA-N 1 1 349.826 0.709 20 30 ECEDMO CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1cc(C[NH+](C)C)on1 ZINC001105499824 753749710 /nfs/dbraw/zinc/74/97/10/753749710.db2.gz DMHMFSQVINOQFL-UHFFFAOYSA-N 1 1 343.391 0.606 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]2O)c1 ZINC001083390340 753776191 /nfs/dbraw/zinc/77/61/91/753776191.db2.gz NDWZIMXIYCXOML-CABCVRRESA-N 1 1 330.413 0.965 20 30 ECEDMO CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583275 753864887 /nfs/dbraw/zinc/86/48/87/753864887.db2.gz QFKYTIDGYCZJGX-DZGCQCFKSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(C)o2)C1 ZINC001028600933 753876209 /nfs/dbraw/zinc/87/62/09/753876209.db2.gz FVQWKZNDULRXKR-GJZGRUSLSA-N 1 1 331.420 0.414 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(C)o2)C1 ZINC001028600933 753876223 /nfs/dbraw/zinc/87/62/23/753876223.db2.gz FVQWKZNDULRXKR-GJZGRUSLSA-N 1 1 331.420 0.414 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001028612993 753925222 /nfs/dbraw/zinc/92/52/22/753925222.db2.gz MAPYHCCDZYZKBS-QWHCGFSZSA-N 1 1 347.419 0.262 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001028624669 753965944 /nfs/dbraw/zinc/96/59/44/753965944.db2.gz FGZQMGOGWCMSSH-CABCVRRESA-N 1 1 330.432 0.919 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001008711986 754036561 /nfs/dbraw/zinc/03/65/61/754036561.db2.gz VHUFPGGXVRTKMD-HOTGVXAUSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001008711986 754036566 /nfs/dbraw/zinc/03/65/66/754036566.db2.gz VHUFPGGXVRTKMD-HOTGVXAUSA-N 1 1 345.447 0.559 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)nn1 ZINC001105376867 754060789 /nfs/dbraw/zinc/06/07/89/754060789.db2.gz HSHZYIHWHVBDIH-CYBMUJFWSA-N 1 1 346.435 0.196 20 30 ECEDMO O=C(C#CC1CC1)N1CCC2(CO[C@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000982898297 754126342 /nfs/dbraw/zinc/12/63/42/754126342.db2.gz MHALZDOJPIRQPX-INIZCTEOSA-N 1 1 344.415 0.970 20 30 ECEDMO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)o1 ZINC001051523872 762274577 /nfs/dbraw/zinc/27/45/77/762274577.db2.gz LPTIIXAIVUQFRN-CYBMUJFWSA-N 1 1 329.360 0.814 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCO[C@H](C[NH2+]Cc3nncs3)C2)c1 ZINC001051524026 762275273 /nfs/dbraw/zinc/27/52/73/762275273.db2.gz OSUIEURYJOWQNM-LLVKDONJSA-N 1 1 332.389 0.369 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001008847508 754198363 /nfs/dbraw/zinc/19/83/63/754198363.db2.gz SKUBEUSHIAETEZ-IXDOHACOSA-N 1 1 330.432 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000982923990 754208357 /nfs/dbraw/zinc/20/83/57/754208357.db2.gz SPIVERODXOYALW-OCCSQVGLSA-N 1 1 347.394 0.225 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000982923990 754208363 /nfs/dbraw/zinc/20/83/63/754208363.db2.gz SPIVERODXOYALW-OCCSQVGLSA-N 1 1 347.394 0.225 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cn[nH]n3)C2)cc1C#N ZINC001028649364 754216553 /nfs/dbraw/zinc/21/65/53/754216553.db2.gz AQPLOIXAGNYNKY-ZDUSSCGKSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cnn[nH]3)C2)cc1C#N ZINC001028649364 754216559 /nfs/dbraw/zinc/21/65/59/754216559.db2.gz AQPLOIXAGNYNKY-ZDUSSCGKSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cnn[nH]3)C2)cc1C#N ZINC001028649364 754216565 /nfs/dbraw/zinc/21/65/65/754216565.db2.gz AQPLOIXAGNYNKY-ZDUSSCGKSA-N 1 1 340.387 0.937 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](NCc3ccn(C)n3)C[C@@H]2C)CC1 ZINC000989829824 754483546 /nfs/dbraw/zinc/48/35/46/754483546.db2.gz WZAIOBNGHRLKNT-MAUKXSAKSA-N 1 1 343.475 0.844 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](NCc3nccn3C)C[C@H]2C)CC1 ZINC000989828602 754497623 /nfs/dbraw/zinc/49/76/23/754497623.db2.gz GQRKBWPQZIDLCH-WBVHZDCISA-N 1 1 343.475 0.844 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000983052394 754512810 /nfs/dbraw/zinc/51/28/10/754512810.db2.gz TZGHPNZFLRWIIP-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4cn[nH]c4)CCC[C@@H]23)C1=O ZINC000989965481 754597245 /nfs/dbraw/zinc/59/72/45/754597245.db2.gz BDBIHKHJLCUICZ-HDMKZQKVSA-N 1 1 343.431 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C3CCC3)C[C@H]21 ZINC001009193056 754636903 /nfs/dbraw/zinc/63/69/03/754636903.db2.gz SHQVEAOZMRYZHU-NXOAAHMSSA-N 1 1 329.444 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C3CCC3)C[C@H]21 ZINC001009193056 754636906 /nfs/dbraw/zinc/63/69/06/754636906.db2.gz SHQVEAOZMRYZHU-NXOAAHMSSA-N 1 1 329.444 0.705 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001105873142 762319777 /nfs/dbraw/zinc/31/97/77/762319777.db2.gz LDOBRJIDCDOSHM-ZIAGYGMSSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cnco3)[C@@H]2C1 ZINC001009284976 754743824 /nfs/dbraw/zinc/74/38/24/754743824.db2.gz SYWILUBYVCMYTK-XQLPTFJDSA-N 1 1 342.399 0.206 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cnco3)[C@@H]2C1 ZINC001009284976 754743826 /nfs/dbraw/zinc/74/38/26/754743826.db2.gz SYWILUBYVCMYTK-XQLPTFJDSA-N 1 1 342.399 0.206 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001105874008 762332076 /nfs/dbraw/zinc/33/20/76/762332076.db2.gz YWFRIZOTPNTQLQ-HOCLYGCPSA-N 1 1 331.420 0.139 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000983188815 754820836 /nfs/dbraw/zinc/82/08/36/754820836.db2.gz NAEOJEWWZNIQGF-CABCVRRESA-N 1 1 343.431 0.015 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000983188815 754820838 /nfs/dbraw/zinc/82/08/38/754820838.db2.gz NAEOJEWWZNIQGF-CABCVRRESA-N 1 1 343.431 0.015 20 30 ECEDMO C#CCOCCC(=O)NCCN(CCOC)c1cc(C)[nH+]c(CC)n1 ZINC001126415365 754890067 /nfs/dbraw/zinc/89/00/67/754890067.db2.gz LDNTYVSECHIKAE-UHFFFAOYSA-N 1 1 348.447 0.956 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028736360 754920821 /nfs/dbraw/zinc/92/08/21/754920821.db2.gz DHDBQJKWTKNADV-QWRGUYRKSA-N 1 1 330.226 0.469 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028736360 754920824 /nfs/dbraw/zinc/92/08/24/754920824.db2.gz DHDBQJKWTKNADV-QWRGUYRKSA-N 1 1 330.226 0.469 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001028746954 754957853 /nfs/dbraw/zinc/95/78/53/754957853.db2.gz UVMCPYIFRFSWEU-VIFPVBQESA-N 1 1 329.202 0.170 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001028746954 754957858 /nfs/dbraw/zinc/95/78/58/754957858.db2.gz UVMCPYIFRFSWEU-VIFPVBQESA-N 1 1 329.202 0.170 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000983242270 754982758 /nfs/dbraw/zinc/98/27/58/754982758.db2.gz RHHQJEPRCVKGSD-ZACQAIPSSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000983242270 754982762 /nfs/dbraw/zinc/98/27/62/754982762.db2.gz RHHQJEPRCVKGSD-ZACQAIPSSA-N 1 1 347.459 0.475 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028772352 755058408 /nfs/dbraw/zinc/05/84/08/755058408.db2.gz CJIXBCBNPRMVNE-SWLSCSKDSA-N 1 1 327.388 0.178 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)s1 ZINC001028773194 755064339 /nfs/dbraw/zinc/06/43/39/755064339.db2.gz JIRCSHAFIYREOD-GXFFZTMASA-N 1 1 333.417 0.239 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)[nH]1 ZINC001075700480 755071544 /nfs/dbraw/zinc/07/15/44/755071544.db2.gz SEIWMOAJWQXQCP-TUKIKUTGSA-N 1 1 327.388 0.311 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1)C1CC1 ZINC001075703982 755137632 /nfs/dbraw/zinc/13/76/32/755137632.db2.gz XUSJCZQHYVKSEL-BLLLJJGKSA-N 1 1 341.415 0.653 20 30 ECEDMO CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1)C1CC1 ZINC001075703982 755137637 /nfs/dbraw/zinc/13/76/37/755137637.db2.gz XUSJCZQHYVKSEL-BLLLJJGKSA-N 1 1 341.415 0.653 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001028794719 755143989 /nfs/dbraw/zinc/14/39/89/755143989.db2.gz MGYWBMIQVPQNBI-LLVKDONJSA-N 1 1 341.437 0.075 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@@H](O)C1 ZINC001083468274 755176716 /nfs/dbraw/zinc/17/67/16/755176716.db2.gz QDLSYVIOSDXWFL-VQHPVUNQSA-N 1 1 344.459 0.891 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2ccnc(C#N)n2)C1 ZINC001060308228 762378545 /nfs/dbraw/zinc/37/85/45/762378545.db2.gz UVFUGQQAXJRFDB-GJZGRUSLSA-N 1 1 342.447 0.905 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccn(CC)n3)C2)nn1 ZINC001028852644 755310604 /nfs/dbraw/zinc/31/06/04/755310604.db2.gz LNFWMLOXOCHLEZ-AWEZNQCLSA-N 1 1 343.435 0.932 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccn(CC)n3)C2)nn1 ZINC001028852644 755310610 /nfs/dbraw/zinc/31/06/10/755310610.db2.gz LNFWMLOXOCHLEZ-AWEZNQCLSA-N 1 1 343.435 0.932 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)nn1 ZINC001028853132 755315023 /nfs/dbraw/zinc/31/50/23/755315023.db2.gz PTCUHZAGXLMKHA-AWEZNQCLSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001028855094 755316702 /nfs/dbraw/zinc/31/67/02/755316702.db2.gz TYHOVDJAFNJLPA-CQSZACIVSA-N 1 1 346.435 0.138 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001060040604 755320906 /nfs/dbraw/zinc/32/09/06/755320906.db2.gz ATNZYIKQVDNQEN-GJZGRUSLSA-N 1 1 342.447 0.762 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)nn1 ZINC001028857458 755322604 /nfs/dbraw/zinc/32/26/04/755322604.db2.gz IJALVDJFCSFZCE-HUUCEWRRSA-N 1 1 333.436 0.942 20 30 ECEDMO COCCN(CCNC(=O)Cn1c[nH+]cc1C)c1ccnc(C#N)n1 ZINC001126440988 755328948 /nfs/dbraw/zinc/32/89/48/755328948.db2.gz SNFPRRJHGMSSRU-UHFFFAOYSA-N 1 1 343.391 0.122 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001028863979 755336144 /nfs/dbraw/zinc/33/61/44/755336144.db2.gz IAWDTMHLKYTOFO-ILXRZTDVSA-N 1 1 344.477 0.450 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001028863979 755336146 /nfs/dbraw/zinc/33/61/46/755336146.db2.gz IAWDTMHLKYTOFO-ILXRZTDVSA-N 1 1 344.477 0.450 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001028899387 755433377 /nfs/dbraw/zinc/43/33/77/755433377.db2.gz JBFYEIAMYRJSNL-GJZGRUSLSA-N 1 1 333.436 0.942 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001028919813 755478342 /nfs/dbraw/zinc/47/83/42/755478342.db2.gz HHGWOIPPYABESX-ZDUSSCGKSA-N 1 1 326.404 0.885 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nnc(-c4ccco4)n3)[C@@H]2C1 ZINC001075978237 755553813 /nfs/dbraw/zinc/55/38/13/755553813.db2.gz CWFYEHQEVOSDEU-UONOGXRCSA-N 1 1 340.387 0.489 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)c1 ZINC000990703302 755651627 /nfs/dbraw/zinc/65/16/27/755651627.db2.gz IOSBOSLHRAAQFN-HOCLYGCPSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC001088783262 755654478 /nfs/dbraw/zinc/65/44/78/755654478.db2.gz KLMHJLNGKNGWBH-PWSUYJOCSA-N 1 1 330.396 0.463 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)cc1F ZINC001010108330 755658190 /nfs/dbraw/zinc/65/81/90/755658190.db2.gz RCXUXNPSVHLGRH-ZDUSSCGKSA-N 1 1 329.339 0.075 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)cc1F ZINC001010108330 755658193 /nfs/dbraw/zinc/65/81/93/755658193.db2.gz RCXUXNPSVHLGRH-ZDUSSCGKSA-N 1 1 329.339 0.075 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@@H]12 ZINC000990714334 755720307 /nfs/dbraw/zinc/72/03/07/755720307.db2.gz RXDREZRQFVTQGX-ACJLOTCBSA-N 1 1 331.416 0.518 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(-c3cccnc3)nn2)[C@@H](O)C1 ZINC001083509912 755785950 /nfs/dbraw/zinc/78/59/50/755785950.db2.gz DQYNGKMCQGLAAA-ZBFHGGJFSA-N 1 1 342.403 0.403 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(=O)NC)CC2 ZINC000990736809 755803866 /nfs/dbraw/zinc/80/38/66/755803866.db2.gz FMOAWRDERMBLRF-BASYENTBSA-N 1 1 335.448 0.827 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2ccccc2)[C@@H](O)C1 ZINC001083513820 755826139 /nfs/dbraw/zinc/82/61/39/755826139.db2.gz ACPJODAPUJPIHN-KURKYZTESA-N 1 1 327.428 0.840 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2c(CC)nn(C)c2CC)[C@@H](O)C1 ZINC001083532794 755962053 /nfs/dbraw/zinc/96/20/53/755962053.db2.gz IAOUINSETCLLJD-WBVHZDCISA-N 1 1 334.464 0.825 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCCS3(=O)=O)[C@@H]2C1 ZINC001076049486 756040163 /nfs/dbraw/zinc/04/01/63/756040163.db2.gz AZZPTLDRZJSKKI-LSDHHAIUSA-N 1 1 341.477 0.521 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001076074255 756059388 /nfs/dbraw/zinc/05/93/88/756059388.db2.gz SCYPHZHLFSUJRR-WFASDCNBSA-N 1 1 331.420 0.995 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001076103286 756083054 /nfs/dbraw/zinc/08/30/54/756083054.db2.gz QBERNHPPZPJVKF-DZGCQCFKSA-N 1 1 344.415 0.685 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc[nH]c(=O)c1 ZINC001076133710 756120282 /nfs/dbraw/zinc/12/02/82/756120282.db2.gz IGFPQLSYQSRVOH-ZFWWWQNUSA-N 1 1 344.415 0.509 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc[nH]c(=O)c1 ZINC001076133710 756120287 /nfs/dbraw/zinc/12/02/87/756120287.db2.gz IGFPQLSYQSRVOH-ZFWWWQNUSA-N 1 1 344.415 0.509 20 30 ECEDMO CC(C)N1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010476618 756167103 /nfs/dbraw/zinc/16/71/03/756167103.db2.gz HZMKJYANYYTXQB-DZGCQCFKSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010476618 756167105 /nfs/dbraw/zinc/16/71/05/756167105.db2.gz HZMKJYANYYTXQB-DZGCQCFKSA-N 1 1 329.404 0.700 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC001076181032 756178988 /nfs/dbraw/zinc/17/89/88/756178988.db2.gz JUPGJRMFXVQTKA-JKIFEVAISA-N 1 1 327.432 0.476 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC001076180710 756179310 /nfs/dbraw/zinc/17/93/10/756179310.db2.gz CUUNEELHESBDMA-GRDNDAEWSA-N 1 1 327.432 0.476 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001010540679 756221630 /nfs/dbraw/zinc/22/16/30/756221630.db2.gz BBMZAXDOVMYAIV-KBPBESRZSA-N 1 1 330.388 0.378 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001010540679 756221633 /nfs/dbraw/zinc/22/16/33/756221633.db2.gz BBMZAXDOVMYAIV-KBPBESRZSA-N 1 1 330.388 0.378 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)c1 ZINC001076223174 756234519 /nfs/dbraw/zinc/23/45/19/756234519.db2.gz MGZKRODSHNRZQW-USXIJHARSA-N 1 1 338.411 0.440 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ncccn4)[C@@H]3C2)C1=O ZINC001076385270 756449007 /nfs/dbraw/zinc/44/90/07/756449007.db2.gz PAYLADHIVWBJTG-SOUVJXGZSA-N 1 1 341.415 0.410 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001076415080 756486779 /nfs/dbraw/zinc/48/67/79/756486779.db2.gz XTXIJRIZSQPXBH-HOTGVXAUSA-N 1 1 337.464 0.766 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001076415080 756486780 /nfs/dbraw/zinc/48/67/80/756486780.db2.gz XTXIJRIZSQPXBH-HOTGVXAUSA-N 1 1 337.464 0.766 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)CCCO3)[C@@H](O)C1 ZINC001083548324 756576348 /nfs/dbraw/zinc/57/63/48/756576348.db2.gz FKBOVIZKXRZRLL-SJORKVTESA-N 1 1 328.412 0.739 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010837606 756585038 /nfs/dbraw/zinc/58/50/38/756585038.db2.gz DEOJSZMWAIMJNA-UONOGXRCSA-N 1 1 344.371 0.366 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010837606 756585040 /nfs/dbraw/zinc/58/50/40/756585040.db2.gz DEOJSZMWAIMJNA-UONOGXRCSA-N 1 1 344.371 0.366 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)ccc1F ZINC001010842315 756591442 /nfs/dbraw/zinc/59/14/42/756591442.db2.gz PDCXZCZQGRSHTM-JSGCOSHPSA-N 1 1 332.335 0.496 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)ccc1F ZINC001010842315 756591445 /nfs/dbraw/zinc/59/14/45/756591445.db2.gz PDCXZCZQGRSHTM-JSGCOSHPSA-N 1 1 332.335 0.496 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C)n2cccc2)C1 ZINC000990880620 756611924 /nfs/dbraw/zinc/61/19/24/756611924.db2.gz DENCGFPULGMHJL-HOCLYGCPSA-N 1 1 328.416 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C)n2cccc2)C1 ZINC000990880620 756611928 /nfs/dbraw/zinc/61/19/28/756611928.db2.gz DENCGFPULGMHJL-HOCLYGCPSA-N 1 1 328.416 0.474 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)[C@@H]2C1 ZINC001076530348 756616119 /nfs/dbraw/zinc/61/61/19/756616119.db2.gz JTMQPUNNXCFBJJ-LSDHHAIUSA-N 1 1 338.415 0.911 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CCCC(N)=O)CC1 ZINC001105681283 756616149 /nfs/dbraw/zinc/61/61/49/756616149.db2.gz XNMPLHORNLEWNQ-CALCHBBNSA-N 1 1 346.475 0.415 20 30 ECEDMO Cn1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC001010868886 756618317 /nfs/dbraw/zinc/61/83/17/756618317.db2.gz JCWYFYAMVQRGFT-AWEZNQCLSA-N 1 1 340.387 0.722 20 30 ECEDMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC001010868886 756618318 /nfs/dbraw/zinc/61/83/18/756618318.db2.gz JCWYFYAMVQRGFT-AWEZNQCLSA-N 1 1 340.387 0.722 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001051616212 762481680 /nfs/dbraw/zinc/48/16/80/762481680.db2.gz BWXPMYRCOCFHOI-KFWWJZLASA-N 1 1 349.435 0.113 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CCCOC1 ZINC001076613838 756737142 /nfs/dbraw/zinc/73/71/42/756737142.db2.gz UEBUOOJJRVCQID-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CCCOC1 ZINC001076613838 756737147 /nfs/dbraw/zinc/73/71/47/756737147.db2.gz UEBUOOJJRVCQID-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)no1 ZINC000990932482 756913564 /nfs/dbraw/zinc/91/35/64/756913564.db2.gz LYFOTBFTHUZRGJ-UHFFFAOYSA-N 1 1 342.359 0.190 20 30 ECEDMO Cn1cc(CC[N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)cn1 ZINC001048778973 756964588 /nfs/dbraw/zinc/96/45/88/756964588.db2.gz MNLNSIYPLLWVCK-IYBDPMFKSA-N 1 1 338.415 0.866 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2coc(CC)n2)C1 ZINC000990950959 756995433 /nfs/dbraw/zinc/99/54/33/756995433.db2.gz HAEUYXWYKRNDPL-AWEZNQCLSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2coc(CC)n2)C1 ZINC000990950959 756995443 /nfs/dbraw/zinc/99/54/43/756995443.db2.gz HAEUYXWYKRNDPL-AWEZNQCLSA-N 1 1 330.388 0.275 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](OC)C4CC4)C[C@H]3C2)C1=O ZINC001048792579 757011936 /nfs/dbraw/zinc/01/19/36/757011936.db2.gz AMTNQZICIDGORQ-VVLHAWIVSA-N 1 1 347.459 0.589 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O)n1cccn1 ZINC001076765650 757019647 /nfs/dbraw/zinc/01/96/47/757019647.db2.gz LQUSAHZICFHVJM-IAOVAPTHSA-N 1 1 339.399 0.677 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O)n1cccn1 ZINC001076765650 757019655 /nfs/dbraw/zinc/01/96/55/757019655.db2.gz LQUSAHZICFHVJM-IAOVAPTHSA-N 1 1 339.399 0.677 20 30 ECEDMO N#CCSCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001111600537 762513309 /nfs/dbraw/zinc/51/33/09/762513309.db2.gz XKITXNQXSSUKCP-ZENOOKHLSA-N 1 1 336.461 0.492 20 30 ECEDMO CCCCCCC[NH+]1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 ZINC001107150295 757056673 /nfs/dbraw/zinc/05/66/73/757056673.db2.gz HUGSQILLDFBRIK-UHFFFAOYSA-N 1 1 336.440 0.597 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001048806939 757057767 /nfs/dbraw/zinc/05/77/67/757057767.db2.gz JNTTUFLHBNHXLV-PMPSAXMXSA-N 1 1 335.448 0.160 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048812708 757074820 /nfs/dbraw/zinc/07/48/20/757074820.db2.gz OCIMRDHSRDPLIA-IXDOHACOSA-N 1 1 328.416 0.048 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001048828187 757125353 /nfs/dbraw/zinc/12/53/53/757125353.db2.gz HYLADKPVFMXXHJ-ULQDDVLXSA-N 1 1 347.459 0.304 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@H]2C1 ZINC001048839272 757146434 /nfs/dbraw/zinc/14/64/34/757146434.db2.gz MJUWRPINFOLOEJ-OKILXGFUSA-N 1 1 332.452 0.937 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)C[C@H]2C1 ZINC001048847438 757166787 /nfs/dbraw/zinc/16/67/87/757166787.db2.gz DXLHKJVWYNTPCC-YESZJQIVSA-N 1 1 331.460 0.904 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(CC)C3)C[C@H]2C1 ZINC001048850284 757180906 /nfs/dbraw/zinc/18/09/06/757180906.db2.gz CDDRDUFJMCYVAV-MCIONIFRSA-N 1 1 325.840 0.998 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001011206694 757187458 /nfs/dbraw/zinc/18/74/58/757187458.db2.gz YRPQYWQXHWYMHE-ZACQAIPSSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](C[C@@H](CC)OC)C2)nn1 ZINC001107169563 757206722 /nfs/dbraw/zinc/20/67/22/757206722.db2.gz OAYUBXQWXHPJSG-CZUORRHYSA-N 1 1 349.435 0.214 20 30 ECEDMO N#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001048860845 757208745 /nfs/dbraw/zinc/20/87/45/757208745.db2.gz DUIKBWNSUANQPO-UXLLHSPISA-N 1 1 332.448 0.544 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]Cc3nncn3C)C(C)(C)C2)c1 ZINC000996275894 757221143 /nfs/dbraw/zinc/22/11/43/757221143.db2.gz UDYKMQHFFOKYGP-OAHLLOKOSA-N 1 1 338.415 0.832 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)c4ccccc43)C[C@H]2C1 ZINC001048867961 757232718 /nfs/dbraw/zinc/23/27/18/757232718.db2.gz PWIPUIBPDFZQHL-DAYGRLMNSA-N 1 1 337.423 0.927 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001011239863 757270026 /nfs/dbraw/zinc/27/00/26/757270026.db2.gz HNNGLEAKZJGGIM-WFASDCNBSA-N 1 1 344.419 0.620 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001011239863 757270031 /nfs/dbraw/zinc/27/00/31/757270031.db2.gz HNNGLEAKZJGGIM-WFASDCNBSA-N 1 1 344.419 0.620 20 30 ECEDMO C#CCC1(C(=O)NCc2cn(C3C[NH+]([C@H](C)COC)C3)nn2)CCC1 ZINC001107179950 757297811 /nfs/dbraw/zinc/29/78/11/757297811.db2.gz XAEDFYDRZKBLKP-CQSZACIVSA-N 1 1 345.447 0.980 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@H]12 ZINC000990998682 757306967 /nfs/dbraw/zinc/30/69/67/757306967.db2.gz PTLNOLUHTAYJQL-DZGCQCFKSA-N 1 1 327.450 0.321 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001011262180 757323038 /nfs/dbraw/zinc/32/30/38/757323038.db2.gz MDZDHHKVBGRXCE-GOEBONIOSA-N 1 1 348.447 0.460 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)nn2)C1 ZINC001060144758 757357927 /nfs/dbraw/zinc/35/79/27/757357927.db2.gz IBXBEJODSIESDY-HIFRSBDPSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CC(OC)C2)CC1 ZINC001011275705 757372672 /nfs/dbraw/zinc/37/26/72/757372672.db2.gz SMPGVZLPNFIFIS-GPANFISMSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CC(OC)C2)CC1 ZINC001011275705 757372688 /nfs/dbraw/zinc/37/26/88/757372688.db2.gz SMPGVZLPNFIFIS-GPANFISMSA-N 1 1 333.432 0.180 20 30 ECEDMO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)n1 ZINC001076855851 757397352 /nfs/dbraw/zinc/39/73/52/757397352.db2.gz PYMONZDXDBLNKD-IAGOWNOFSA-N 1 1 339.399 0.873 20 30 ECEDMO Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)n1 ZINC001076855851 757397362 /nfs/dbraw/zinc/39/73/62/757397362.db2.gz PYMONZDXDBLNKD-IAGOWNOFSA-N 1 1 339.399 0.873 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)c1 ZINC001076855957 757399146 /nfs/dbraw/zinc/39/91/46/757399146.db2.gz UPILEEORKOMXDU-BRWVUGGUSA-N 1 1 346.431 0.602 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@H]2C1 ZINC001048920589 757415323 /nfs/dbraw/zinc/41/53/23/757415323.db2.gz CZZLPOXGNGYHMR-OKILXGFUSA-N 1 1 342.399 0.992 20 30 ECEDMO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1O ZINC001048946236 757486936 /nfs/dbraw/zinc/48/69/36/757486936.db2.gz VLDAHBUHOCEQCF-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nocc2C)CC1 ZINC001011314957 757491071 /nfs/dbraw/zinc/49/10/71/757491071.db2.gz SYRWQZDTKWXAJP-AWEZNQCLSA-N 1 1 330.388 0.365 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nocc2C)CC1 ZINC001011314957 757491074 /nfs/dbraw/zinc/49/10/74/757491074.db2.gz SYRWQZDTKWXAJP-AWEZNQCLSA-N 1 1 330.388 0.365 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@H]2C1 ZINC001048971834 757555850 /nfs/dbraw/zinc/55/58/50/757555850.db2.gz JVYKRVHVGMHGEY-GASCZTMLSA-N 1 1 330.432 0.977 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001048977052 757579119 /nfs/dbraw/zinc/57/91/19/757579119.db2.gz MFFMJRQNEBDLPF-HOTGVXAUSA-N 1 1 337.464 0.550 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC001021557231 757599672 /nfs/dbraw/zinc/59/96/72/757599672.db2.gz FAVXAFHLCHEERV-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001105900816 762562380 /nfs/dbraw/zinc/56/23/80/762562380.db2.gz WCHBYEWHZQMQFD-OAHLLOKOSA-N 1 1 342.403 0.828 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cnn1 ZINC001076930780 757636357 /nfs/dbraw/zinc/63/63/57/757636357.db2.gz JRZZYAOCCQUBFY-IAGOWNOFSA-N 1 1 337.383 0.632 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cnn1 ZINC001076930780 757636365 /nfs/dbraw/zinc/63/63/65/757636365.db2.gz JRZZYAOCCQUBFY-IAGOWNOFSA-N 1 1 337.383 0.632 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4cnn(C)c4C3)C[C@H]2C1 ZINC001049006440 757672130 /nfs/dbraw/zinc/67/21/30/757672130.db2.gz ABARAUMCRFTBGH-OIISXLGYSA-N 1 1 326.444 0.939 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4cnn(C)c4C3)C[C@H]2C1 ZINC001049008279 757681839 /nfs/dbraw/zinc/68/18/39/757681839.db2.gz JNCHOJFGEIEBTM-BHYGNILZSA-N 1 1 326.444 0.939 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCC(O)CC3)C2)c1 ZINC001076939765 757686639 /nfs/dbraw/zinc/68/66/39/757686639.db2.gz VEYDRKXKYVDISZ-OPQOLIRYSA-N 1 1 343.427 0.771 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCC(O)CC3)C2)c1 ZINC001076939765 757686646 /nfs/dbraw/zinc/68/66/46/757686646.db2.gz VEYDRKXKYVDISZ-OPQOLIRYSA-N 1 1 343.427 0.771 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021624384 757703391 /nfs/dbraw/zinc/70/33/91/757703391.db2.gz VSTXNXZGRMOAPP-GJZGRUSLSA-N 1 1 344.415 0.285 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021631805 757712993 /nfs/dbraw/zinc/71/29/93/757712993.db2.gz ASNAIRAFGFVRGV-HOTGVXAUSA-N 1 1 345.447 0.308 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021636953 757719875 /nfs/dbraw/zinc/71/98/75/757719875.db2.gz VGDQDEMDBWKMNT-LSDHHAIUSA-N 1 1 333.436 0.471 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]3C2)c1 ZINC001049048052 757776253 /nfs/dbraw/zinc/77/62/53/757776253.db2.gz XYQSHBPFQMBKFK-VBNZEHGJSA-N 1 1 326.400 0.201 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001021688155 757784705 /nfs/dbraw/zinc/78/47/05/757784705.db2.gz LPDKBGHQRZPCHB-LSDHHAIUSA-N 1 1 348.447 0.817 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021693019 757794928 /nfs/dbraw/zinc/79/49/28/757794928.db2.gz XEGRZGDCVBVBKP-DZGCQCFKSA-N 1 1 331.416 0.375 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC001021699514 757814126 /nfs/dbraw/zinc/81/41/26/757814126.db2.gz QYZNVICLACWZJW-HEHGZKQESA-N 1 1 341.415 0.511 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001021711048 757843372 /nfs/dbraw/zinc/84/33/72/757843372.db2.gz RPZOZUVGVJMQIE-ZIAGYGMSSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021712356 757847242 /nfs/dbraw/zinc/84/72/42/757847242.db2.gz IWJKBTORPMXYFD-LSDHHAIUSA-N 1 1 348.447 0.817 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021714401 757851856 /nfs/dbraw/zinc/85/18/56/757851856.db2.gz XCGBECOCAWEVQN-HUUCEWRRSA-N 1 1 346.431 0.217 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2nc(C)ccc2=O)C1 ZINC001021719728 757860156 /nfs/dbraw/zinc/86/01/56/757860156.db2.gz RKUZYFCWPWHUNJ-CVEARBPZSA-N 1 1 328.416 0.498 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021731415 757875780 /nfs/dbraw/zinc/87/57/80/757875780.db2.gz VHSORRHEOZYWKS-HUUCEWRRSA-N 1 1 348.447 0.769 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@H]2C1 ZINC001049073457 757881868 /nfs/dbraw/zinc/88/18/68/757881868.db2.gz PCGJXNDNPPPGCW-OAGGEKHMSA-N 1 1 344.463 0.982 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3CN(CC(N)=O)CC[C@H]32)CC1 ZINC001021739079 757890141 /nfs/dbraw/zinc/89/01/41/757890141.db2.gz GJYZMATUDTVUQQ-DLBZAZTESA-N 1 1 346.475 0.130 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001049111012 757986688 /nfs/dbraw/zinc/98/66/88/757986688.db2.gz GWKGXVXJUWCRPP-KPEUIFRASA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCCOCC(=O)NCc1cn(C2C[NH+]([C@H](C)COC)C2)nn1 ZINC001107241062 758043390 /nfs/dbraw/zinc/04/33/90/758043390.db2.gz LFDVASIMMQDTMO-CYBMUJFWSA-N 1 1 337.424 0.379 20 30 ECEDMO C=CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](C[C@H](C)OC)C2)nn1 ZINC001107241418 758044124 /nfs/dbraw/zinc/04/41/24/758044124.db2.gz UHLUAEUMNYWYAC-STQMWFEESA-N 1 1 337.424 0.377 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001077062842 758068443 /nfs/dbraw/zinc/06/84/43/758068443.db2.gz MUBHAMUFSNWQON-LSDHHAIUSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@@H](O)C1 ZINC001083783586 758080581 /nfs/dbraw/zinc/08/05/81/758080581.db2.gz ZZYWBKSEYHQXCJ-CVEARBPZSA-N 1 1 334.420 0.621 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@]4(C)CCOC4)C[C@H]3C2)C1=O ZINC001049133503 758081189 /nfs/dbraw/zinc/08/11/89/758081189.db2.gz KHELXKCXCUOZPE-RCJHGTSTSA-N 1 1 347.459 0.590 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]2C1 ZINC001049134222 758082717 /nfs/dbraw/zinc/08/27/17/758082717.db2.gz IIUPGZYOOAVWKN-IYBDPMFKSA-N 1 1 328.416 0.274 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCO3)CCC[C@@H]12 ZINC001107266859 758110002 /nfs/dbraw/zinc/11/00/02/758110002.db2.gz RWJDTWGRRQGJTA-IIDMSEBBSA-N 1 1 335.448 0.828 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(C)=O)CCC[C@@H]12 ZINC001107268498 758117503 /nfs/dbraw/zinc/11/75/03/758117503.db2.gz VLSXYWLRMAFZQM-YXJHDRRASA-N 1 1 335.448 0.522 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@H]2C1 ZINC001049154961 758153598 /nfs/dbraw/zinc/15/35/98/758153598.db2.gz TZSUHUZSUSPWBL-SOUVJXGZSA-N 1 1 326.462 0.778 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001051655008 762604562 /nfs/dbraw/zinc/60/45/62/762604562.db2.gz XKWAMDVYIDPURS-HNNXBMFYSA-N 1 1 344.419 0.433 20 30 ECEDMO COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12 ZINC001107290960 758185959 /nfs/dbraw/zinc/18/59/59/758185959.db2.gz FKJGXEPXDQZBLJ-SQWLQELKSA-N 1 1 341.477 0.611 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001077107864 758209747 /nfs/dbraw/zinc/20/97/47/758209747.db2.gz AYPIQHARUDQJRO-HUUCEWRRSA-N 1 1 325.372 0.270 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC(=O)N3)CCC[C@@H]12 ZINC001107323577 758246867 /nfs/dbraw/zinc/24/68/67/758246867.db2.gz FTOLEILHUZWTHD-IIDMSEBBSA-N 1 1 335.448 0.828 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cccn1C ZINC001077123716 758249260 /nfs/dbraw/zinc/24/92/60/758249260.db2.gz AAOBNQYKTLMSFB-HOCLYGCPSA-N 1 1 330.432 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cccn1C ZINC001077123716 758249269 /nfs/dbraw/zinc/24/92/69/758249269.db2.gz AAOBNQYKTLMSFB-HOCLYGCPSA-N 1 1 330.432 0.747 20 30 ECEDMO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)o1 ZINC001077128029 758265418 /nfs/dbraw/zinc/26/54/18/758265418.db2.gz UOZICRSKFNECSP-IAGOWNOFSA-N 1 1 340.383 0.759 20 30 ECEDMO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)o1 ZINC001077128029 758265426 /nfs/dbraw/zinc/26/54/26/758265426.db2.gz UOZICRSKFNECSP-IAGOWNOFSA-N 1 1 340.383 0.759 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001077129182 758268793 /nfs/dbraw/zinc/26/87/93/758268793.db2.gz XSVNCDQTEZITBQ-ZIAGYGMSSA-N 1 1 348.447 0.726 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[C@@H](C)OC ZINC001077124385 758284517 /nfs/dbraw/zinc/28/45/17/758284517.db2.gz USQGJPKRITZBJV-XHSDSOJGSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[C@@H](C)OC ZINC001077124385 758284527 /nfs/dbraw/zinc/28/45/27/758284527.db2.gz USQGJPKRITZBJV-XHSDSOJGSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c[nH]nc1C ZINC001077125308 758290668 /nfs/dbraw/zinc/29/06/68/758290668.db2.gz RHHIQEYDYBHJCG-WFASDCNBSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c[nH]nc1C ZINC001077125308 758290676 /nfs/dbraw/zinc/29/06/76/758290676.db2.gz RHHIQEYDYBHJCG-WFASDCNBSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C)CCC[C@@H]12 ZINC001107328860 758300431 /nfs/dbraw/zinc/30/04/31/758300431.db2.gz BAPDZRAZGQZZBL-GPMSIDNRSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C)CCC[C@@H]12 ZINC001107328860 758300441 /nfs/dbraw/zinc/30/04/41/758300441.db2.gz BAPDZRAZGQZZBL-GPMSIDNRSA-N 1 1 346.475 0.191 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 ZINC001107329528 758302072 /nfs/dbraw/zinc/30/20/72/758302072.db2.gz YIIRGKFUAVGUHR-IIDMSEBBSA-N 1 1 347.463 0.081 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 ZINC001107329528 758302083 /nfs/dbraw/zinc/30/20/83/758302083.db2.gz YIIRGKFUAVGUHR-IIDMSEBBSA-N 1 1 347.463 0.081 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)C[C@H]2C1 ZINC001049210089 758315666 /nfs/dbraw/zinc/31/56/66/758315666.db2.gz PCSLUSZPZOHSEP-IYBDPMFKSA-N 1 1 336.399 0.689 20 30 ECEDMO C#CCCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077146509 758323769 /nfs/dbraw/zinc/32/37/69/758323769.db2.gz SYXYOEKEBLXAML-ARFHVFGLSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CCCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077146509 758323778 /nfs/dbraw/zinc/32/37/78/758323778.db2.gz SYXYOEKEBLXAML-ARFHVFGLSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3cc[nH]n3)CCC[C@@H]12 ZINC001107347464 758362348 /nfs/dbraw/zinc/36/23/48/758362348.db2.gz PNXQOGAIDHILIZ-CRAIPNDOSA-N 1 1 343.431 0.062 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001077159300 758377532 /nfs/dbraw/zinc/37/75/32/758377532.db2.gz YCGHPDNDIHUPBD-FPCVCCKLSA-N 1 1 334.420 0.235 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001077159300 758377541 /nfs/dbraw/zinc/37/75/41/758377541.db2.gz YCGHPDNDIHUPBD-FPCVCCKLSA-N 1 1 334.420 0.235 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nnc(C)n4C3)C[C@H]2C1 ZINC001049231100 758389159 /nfs/dbraw/zinc/38/91/59/758389159.db2.gz MLOKOCJPHFBNKA-HRCADAONSA-N 1 1 327.432 0.562 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCO3)CCC[C@@H]12 ZINC001107359878 758389149 /nfs/dbraw/zinc/38/91/49/758389149.db2.gz PGFPRRPQEMSCQG-HDMKZQKVSA-N 1 1 348.447 0.556 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nncn4C3)C[C@H]2C1 ZINC001049232794 758395494 /nfs/dbraw/zinc/39/54/94/758395494.db2.gz ZZHGKYAZYVRBOJ-MCIONIFRSA-N 1 1 335.839 0.983 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC[C@H](C)O)CC2 ZINC001107374049 758400761 /nfs/dbraw/zinc/40/07/61/758400761.db2.gz HRAFPSFUKHKIAE-FRQCXROJSA-N 1 1 349.475 0.648 20 30 ECEDMO CO[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2)C1CC1 ZINC001107390191 758417558 /nfs/dbraw/zinc/41/75/58/758417558.db2.gz YHCCNEDKHYPNOC-UWWQBHOKSA-N 1 1 348.447 0.412 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3ccnn3C)CCC[C@@H]12 ZINC001107384511 758430836 /nfs/dbraw/zinc/43/08/36/758430836.db2.gz IRPNWMMNIBSSCR-IEBWSBKVSA-N 1 1 344.459 0.973 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1O ZINC001049250175 758436316 /nfs/dbraw/zinc/43/63/16/758436316.db2.gz ZWHSZYITOLLPFJ-IKGGRYGDSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001077184997 758443005 /nfs/dbraw/zinc/44/30/05/758443005.db2.gz FKBOVIZKXRZRLL-IAGOWNOFSA-N 1 1 328.412 0.739 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001049268396 758460100 /nfs/dbraw/zinc/46/01/00/758460100.db2.gz NSIXCIFWWHDOTH-JYJNAYRXSA-N 1 1 339.480 0.959 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnon1)CC2 ZINC001107401805 758471712 /nfs/dbraw/zinc/47/17/12/758471712.db2.gz DDWIYGQXPGSLGL-FRFSOERESA-N 1 1 332.404 0.969 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnon1)CC2 ZINC001107401805 758471719 /nfs/dbraw/zinc/47/17/19/758471719.db2.gz DDWIYGQXPGSLGL-FRFSOERESA-N 1 1 332.404 0.969 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107402735 758472800 /nfs/dbraw/zinc/47/28/00/758472800.db2.gz QYKREDKMHIRRCJ-IDHHARJASA-N 1 1 347.459 0.664 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCS(=O)(=O)NC)CCC[C@@H]12 ZINC001107403112 758474085 /nfs/dbraw/zinc/47/40/85/758474085.db2.gz WJBFLRZWJACEGP-GDBMZVCRSA-N 1 1 341.477 0.310 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@]34C[C@H]3COC4)CCC[C@@H]12 ZINC001107413619 758527269 /nfs/dbraw/zinc/52/72/69/758527269.db2.gz IXMPLMIPIPNSKK-SFUIVIKGSA-N 1 1 347.459 0.686 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)N1CCOCC1 ZINC001049377913 758594348 /nfs/dbraw/zinc/59/43/48/758594348.db2.gz JWJJVSFAOMRFOD-KFWWJZLASA-N 1 1 334.420 0.070 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)N1CCOCC1 ZINC001049377913 758594353 /nfs/dbraw/zinc/59/43/53/758594353.db2.gz JWJJVSFAOMRFOD-KFWWJZLASA-N 1 1 334.420 0.070 20 30 ECEDMO CC[C@H](C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2)[NH+](C)C ZINC001107450365 758594678 /nfs/dbraw/zinc/59/46/78/758594678.db2.gz GJXSDVJYGBPEMK-IIDMSEBBSA-N 1 1 349.479 0.327 20 30 ECEDMO N#Cc1ccc(F)cc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780103 758633537 /nfs/dbraw/zinc/63/35/37/758633537.db2.gz VYBATELOAPOMHJ-IAGOWNOFSA-N 1 1 346.406 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]c(C)n2)cn1 ZINC001105908286 762645814 /nfs/dbraw/zinc/64/58/14/762645814.db2.gz MNPAORZEZTUFRH-OAHLLOKOSA-N 1 1 325.372 0.673 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C#N)[nH]1 ZINC001049426465 758670689 /nfs/dbraw/zinc/67/06/89/758670689.db2.gz VXPKMUZKUFLDHW-CVEARBPZSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C#N)[nH]1 ZINC001049426465 758670692 /nfs/dbraw/zinc/67/06/92/758670692.db2.gz VXPKMUZKUFLDHW-CVEARBPZSA-N 1 1 339.403 0.894 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)COC)CCC[C@@H]12 ZINC001107473011 758676043 /nfs/dbraw/zinc/67/60/43/758676043.db2.gz WAQCDGSWWGUMOV-DNVCBOLYSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CCC[NH+]1CCN(C2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 ZINC000996767173 758773075 /nfs/dbraw/zinc/77/30/75/758773075.db2.gz UGTRCKXTCXPQHB-OFLPRAFFSA-N 1 1 348.491 0.886 20 30 ECEDMO COCC#CC[N@H+]1C[C@H](NC(=O)[C@@H](C)OC)CC2(CCOCC2)C1 ZINC001099566191 758791495 /nfs/dbraw/zinc/79/14/95/758791495.db2.gz NTWAJCJOVPQZRW-HZPDHXFCSA-N 1 1 338.448 0.658 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001014425915 762659133 /nfs/dbraw/zinc/65/91/33/762659133.db2.gz NDRQGKLMDHMRQB-UONOGXRCSA-N 1 1 331.420 0.919 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049528054 758864240 /nfs/dbraw/zinc/86/42/40/758864240.db2.gz ZUQWGEPGFIJIPY-IHRRRGAJSA-N 1 1 334.420 0.616 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527990 758864284 /nfs/dbraw/zinc/86/42/84/758864284.db2.gz YUIXPWNDABEGNT-SDDRHHMPSA-N 1 1 340.811 0.402 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527990 758864295 /nfs/dbraw/zinc/86/42/95/758864295.db2.gz YUIXPWNDABEGNT-SDDRHHMPSA-N 1 1 340.811 0.402 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049528055 758865670 /nfs/dbraw/zinc/86/56/70/758865670.db2.gz ZUQWGEPGFIJIPY-MELADBBJSA-N 1 1 334.420 0.616 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC001011902628 758910102 /nfs/dbraw/zinc/91/01/02/758910102.db2.gz GJPHDZHUGYIIGZ-GXTWGEPZSA-N 1 1 340.387 0.811 20 30 ECEDMO CCCN(CCNC(=O)Cn1cc[nH+]c1C)c1cnc(C#N)cn1 ZINC001101147113 758923967 /nfs/dbraw/zinc/92/39/67/758923967.db2.gz JYNUPYCZWYSYPQ-UHFFFAOYSA-N 1 1 327.392 0.886 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049560604 758924227 /nfs/dbraw/zinc/92/42/27/758924227.db2.gz WFBBISWPPBYRKH-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(=O)n(CCOC)c1 ZINC001049574347 758947099 /nfs/dbraw/zinc/94/70/99/758947099.db2.gz MXTONVHMFSPIQH-IRXDYDNUSA-N 1 1 343.427 0.807 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049606557 758985825 /nfs/dbraw/zinc/98/58/25/758985825.db2.gz CHDFRFGWCPONMO-HRCADAONSA-N 1 1 341.415 0.454 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049608852 758987855 /nfs/dbraw/zinc/98/78/55/758987855.db2.gz SMVDVGYPDBMONZ-SOUVJXGZSA-N 1 1 329.404 0.617 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049608625 758987933 /nfs/dbraw/zinc/98/79/33/758987933.db2.gz QYLDSQKHFUZSOP-XHSDSOJGSA-N 1 1 341.415 0.454 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001077398128 758994937 /nfs/dbraw/zinc/99/49/37/758994937.db2.gz GCRSTNFVQOOXCD-HUUCEWRRSA-N 1 1 329.404 0.477 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049721962 759131706 /nfs/dbraw/zinc/13/17/06/759131706.db2.gz HIQLBWJIMKXJTM-YHUYYLMFSA-N 1 1 333.432 0.321 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)[C@@H](O)C1 ZINC001083591157 759147437 /nfs/dbraw/zinc/14/74/37/759147437.db2.gz OEMBXYKZPPSGPH-XYPHTWIQSA-N 1 1 330.432 0.961 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001049739632 759152606 /nfs/dbraw/zinc/15/26/06/759152606.db2.gz QGAPBXZJOJABJX-QLFBSQMISA-N 1 1 330.436 0.877 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 ZINC000991065136 759155421 /nfs/dbraw/zinc/15/54/21/759155421.db2.gz FBHQSPDVVAHTMP-BBRMVZONSA-N 1 1 341.839 0.711 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 ZINC000991065136 759155423 /nfs/dbraw/zinc/15/54/23/759155423.db2.gz FBHQSPDVVAHTMP-BBRMVZONSA-N 1 1 341.839 0.711 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(OC)ncn3)C2)C1=O ZINC001014438457 762687833 /nfs/dbraw/zinc/68/78/33/762687833.db2.gz IAGXWPQDKYYDAM-TZMCWYRMSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(OC)ncn3)C2)C1=O ZINC001014438457 762687837 /nfs/dbraw/zinc/68/78/37/762687837.db2.gz IAGXWPQDKYYDAM-TZMCWYRMSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)NC)nn1 ZINC001049775875 759190902 /nfs/dbraw/zinc/19/09/02/759190902.db2.gz GLFLJPZFZAAOOY-GJZGRUSLSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)NC)nn1 ZINC001049775875 759190906 /nfs/dbraw/zinc/19/09/06/759190906.db2.gz GLFLJPZFZAAOOY-GJZGRUSLSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049785315 759204054 /nfs/dbraw/zinc/20/40/54/759204054.db2.gz YLVYXEXBAWUUKV-CHWSQXEVSA-N 1 1 339.823 0.857 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049785315 759204059 /nfs/dbraw/zinc/20/40/59/759204059.db2.gz YLVYXEXBAWUUKV-CHWSQXEVSA-N 1 1 339.823 0.857 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049811581 759243780 /nfs/dbraw/zinc/24/37/80/759243780.db2.gz KCOXFGJPFSAXQJ-HUUCEWRRSA-N 1 1 344.415 0.827 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049811579 759243813 /nfs/dbraw/zinc/24/38/13/759243813.db2.gz KCOXFGJPFSAXQJ-CABCVRRESA-N 1 1 344.415 0.827 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCOCC2)C1 ZINC000991088946 759266470 /nfs/dbraw/zinc/26/64/70/759266470.db2.gz QXRYYZNBIYUXQX-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCOCC2)C1 ZINC000991088946 759266474 /nfs/dbraw/zinc/26/64/74/759266474.db2.gz QXRYYZNBIYUXQX-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049832166 759267796 /nfs/dbraw/zinc/26/77/96/759267796.db2.gz TVVTXZSAFDRROK-ZIAGYGMSSA-N 1 1 334.420 0.570 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049842977 759288289 /nfs/dbraw/zinc/28/82/89/759288289.db2.gz ZHZBCHYATLBZJA-MNOVXSKESA-N 1 1 332.360 0.209 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049845888 759293512 /nfs/dbraw/zinc/29/35/12/759293512.db2.gz CBTDICHLYQJNBJ-KBPBESRZSA-N 1 1 342.403 0.673 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001049883924 759343308 /nfs/dbraw/zinc/34/33/08/759343308.db2.gz JYWGMSZZUDLQHZ-MELADBBJSA-N 1 1 332.404 0.063 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1NC(=O)NC1=O ZINC001049886300 759350257 /nfs/dbraw/zinc/35/02/57/759350257.db2.gz SNLKHJQQUQGDDU-HZSPNIEDSA-N 1 1 332.404 0.063 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001047634454 759360281 /nfs/dbraw/zinc/36/02/81/759360281.db2.gz GIDSGHNVDIVUHW-KBPBESRZSA-N 1 1 333.436 0.315 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001047635599 759362320 /nfs/dbraw/zinc/36/23/20/759362320.db2.gz HWIKENVGTVBMEY-ROUUACIJSA-N 1 1 329.444 0.889 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCCO)CC1 ZINC001049921084 759405725 /nfs/dbraw/zinc/40/57/25/759405725.db2.gz UZKRWGPGEIVKKK-QZTJIDSGSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCCO)CC1 ZINC001049921084 759405735 /nfs/dbraw/zinc/40/57/35/759405735.db2.gz UZKRWGPGEIVKKK-QZTJIDSGSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(OC)ncnc1OC ZINC001049924071 759409785 /nfs/dbraw/zinc/40/97/85/759409785.db2.gz BSYWVMGLIQOVHQ-QWHCGFSZSA-N 1 1 330.388 0.806 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccnc(-n2cncn2)c1 ZINC001049927085 759413061 /nfs/dbraw/zinc/41/30/61/759413061.db2.gz HEYSURVCKYYKPN-JKSUJKDBSA-N 1 1 336.399 0.974 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001077430070 759524003 /nfs/dbraw/zinc/52/40/03/759524003.db2.gz VHZKPECFRDQYNZ-AWEZNQCLSA-N 1 1 348.447 0.976 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC001050011185 759546960 /nfs/dbraw/zinc/54/69/60/759546960.db2.gz AJMNIGPMRQGVNR-NUEKZKHPSA-N 1 1 341.415 0.653 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001054250585 767869933 /nfs/dbraw/zinc/86/99/33/767869933.db2.gz XDBYBWXVVGXYHK-KBXCAEBGSA-N 1 1 333.432 0.930 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001050043596 759607262 /nfs/dbraw/zinc/60/72/62/759607262.db2.gz DMRSMQAECBLAGS-DLBZAZTESA-N 1 1 345.443 0.181 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001050043596 759607264 /nfs/dbraw/zinc/60/72/64/759607264.db2.gz DMRSMQAECBLAGS-DLBZAZTESA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001050047749 759614588 /nfs/dbraw/zinc/61/45/88/759614588.db2.gz PPCSQHCADDWMEY-SQWLQELKSA-N 1 1 341.415 0.319 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 ZINC001050058571 759630391 /nfs/dbraw/zinc/63/03/91/759630391.db2.gz FONIHUSOIVCSOF-LSDHHAIUSA-N 1 1 341.477 0.521 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 ZINC001050059438 759631796 /nfs/dbraw/zinc/63/17/96/759631796.db2.gz YYJQWLVPZQAFKI-LSDHHAIUSA-N 1 1 341.477 0.521 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001050061053 759635377 /nfs/dbraw/zinc/63/53/77/759635377.db2.gz GFMIEPGLPOGBIK-GVDBMIGSSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)[C@@H]2C1 ZINC001050080983 759668618 /nfs/dbraw/zinc/66/86/18/759668618.db2.gz NWXRQOKXPUFWTH-SMDDNHRTSA-N 1 1 325.372 0.833 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnc4c(c3)nnn4C)[C@@H]2C1 ZINC001050098081 759698238 /nfs/dbraw/zinc/69/82/38/759698238.db2.gz IJFIUVCPIOWXDZ-XJKSGUPXSA-N 1 1 338.415 0.923 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1ccncc1C#N ZINC001050106192 759716502 /nfs/dbraw/zinc/71/65/02/759716502.db2.gz LKGYFSHCDRIJNL-INWMFGNUSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1ccncc1C#N ZINC001050106192 759716504 /nfs/dbraw/zinc/71/65/04/759716504.db2.gz LKGYFSHCDRIJNL-INWMFGNUSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001050179416 759879543 /nfs/dbraw/zinc/87/95/43/759879543.db2.gz JKCUIYKRUDKRPJ-YQQAZPJKSA-N 1 1 343.431 0.799 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4n[nH]nc4C3)[C@@H]2C1 ZINC001050183241 759890017 /nfs/dbraw/zinc/89/00/17/759890017.db2.gz WGJJWHWRPIYHAS-GRDNDAEWSA-N 1 1 327.432 0.856 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC001050183241 759890029 /nfs/dbraw/zinc/89/00/29/759890029.db2.gz WGJJWHWRPIYHAS-GRDNDAEWSA-N 1 1 327.432 0.856 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC001050183241 759890037 /nfs/dbraw/zinc/89/00/37/759890037.db2.gz WGJJWHWRPIYHAS-GRDNDAEWSA-N 1 1 327.432 0.856 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC001050183241 759890046 /nfs/dbraw/zinc/89/00/46/759890046.db2.gz WGJJWHWRPIYHAS-GRDNDAEWSA-N 1 1 327.432 0.856 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC001050183241 759890055 /nfs/dbraw/zinc/89/00/55/759890055.db2.gz WGJJWHWRPIYHAS-GRDNDAEWSA-N 1 1 327.432 0.856 20 30 ECEDMO CCc1nc(C#N)cc(NC/C=C/CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001107093575 759896664 /nfs/dbraw/zinc/89/66/64/759896664.db2.gz ITBDRWISJJXYAR-NNTXTVRGSA-N 1 1 344.419 0.326 20 30 ECEDMO CCc1nc(C#N)cc(NC/C=C/CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001107093575 759896671 /nfs/dbraw/zinc/89/66/71/759896671.db2.gz ITBDRWISJJXYAR-NNTXTVRGSA-N 1 1 344.419 0.326 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001050192305 759907494 /nfs/dbraw/zinc/90/74/94/759907494.db2.gz CSPUFGFCCJJEGT-GVDBMIGSSA-N 1 1 335.448 0.733 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 ZINC001050195535 759915284 /nfs/dbraw/zinc/91/52/84/759915284.db2.gz QZGQKWIYZQHHHN-UONOGXRCSA-N 1 1 346.431 0.263 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccc(C(N)=O)cn3)C2)cc1 ZINC001032222059 759925620 /nfs/dbraw/zinc/92/56/20/759925620.db2.gz FAOMREJLAJJMCZ-UHFFFAOYSA-N 1 1 349.394 0.914 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001054296182 767904676 /nfs/dbraw/zinc/90/46/76/767904676.db2.gz LASVZKROHZLCMV-XHSDSOJGSA-N 1 1 344.463 0.554 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001050224525 759976190 /nfs/dbraw/zinc/97/61/90/759976190.db2.gz ZOAOXZMKDBDJIH-KBPBESRZSA-N 1 1 331.420 0.638 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001012487670 760068104 /nfs/dbraw/zinc/06/81/04/760068104.db2.gz BSKAAFAKMGOWBH-BXUZGUMPSA-N 1 1 340.387 0.811 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)[C@@H]2C)C1 ZINC001050347071 760157381 /nfs/dbraw/zinc/15/73/81/760157381.db2.gz VGQNFZPUVBIKHK-KBMXLJTQSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)[C@@H]2C)C1 ZINC001050347071 760157386 /nfs/dbraw/zinc/15/73/86/760157386.db2.gz VGQNFZPUVBIKHK-KBMXLJTQSA-N 1 1 343.431 0.757 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001012648247 760483925 /nfs/dbraw/zinc/48/39/25/760483925.db2.gz LHFZJPJEOUUANK-FZMZJTMJSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001012651212 760490194 /nfs/dbraw/zinc/49/01/94/760490194.db2.gz ZJJDEYCTONNLTR-XHDPSFHLSA-N 1 1 340.387 0.811 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3nnn(C)n3)C2)nc1 ZINC001048442795 760538829 /nfs/dbraw/zinc/53/88/29/760538829.db2.gz DENSJANAFRQXEP-JSGCOSHPSA-N 1 1 339.403 0.084 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(CCOC)nn1)C2 ZINC001048523919 760659533 /nfs/dbraw/zinc/65/95/33/760659533.db2.gz BPDSNYPEKUPZQG-QDMKHBRRSA-N 1 1 331.420 0.531 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001048530885 760669645 /nfs/dbraw/zinc/66/96/45/760669645.db2.gz OCRKATGFDNBJPT-PMPSAXMXSA-N 1 1 337.464 0.856 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001048545979 760693898 /nfs/dbraw/zinc/69/38/98/760693898.db2.gz TUJCJEHTDMKMLI-LVQVYYBASA-N 1 1 338.473 0.804 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001030026436 760727288 /nfs/dbraw/zinc/72/72/88/760727288.db2.gz XEZBAULDNUGEOP-IXDOHACOSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001050735016 760754724 /nfs/dbraw/zinc/75/47/24/760754724.db2.gz DZPQEVFGECJRJS-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)cn1 ZINC001048583978 760755038 /nfs/dbraw/zinc/75/50/38/760755038.db2.gz QFWLYVXDZSFMIX-CLROSIBMSA-N 1 1 340.427 0.910 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001048587047 760758797 /nfs/dbraw/zinc/75/87/97/760758797.db2.gz BJJKOFGGKSZAFR-CLLJXQQHSA-N 1 1 330.388 0.092 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccnc1C(N)=O)C2 ZINC001048588912 760762565 /nfs/dbraw/zinc/76/25/65/760762565.db2.gz STCWOSHEJOSPEW-BTTYYORXSA-N 1 1 326.400 0.787 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001048588905 760762729 /nfs/dbraw/zinc/76/27/29/760762729.db2.gz SHKPXQQWTIRTAI-LXTVHRRPSA-N 1 1 339.461 0.061 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)[C@]3(C)CCC(=O)N3)C2)C1=O ZINC001030027108 760763004 /nfs/dbraw/zinc/76/30/04/760763004.db2.gz IXTNPLVNMUXBHM-GLJUWKHASA-N 1 1 348.447 0.023 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)[C@]3(C)CCC(=O)N3)C2)C1=O ZINC001030027108 760763005 /nfs/dbraw/zinc/76/30/05/760763005.db2.gz IXTNPLVNMUXBHM-GLJUWKHASA-N 1 1 348.447 0.023 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083668781 760853784 /nfs/dbraw/zinc/85/37/84/760853784.db2.gz GLMSRETZWOICHE-MSOLQXFVSA-N 1 1 329.444 0.589 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)[C@@H]1C ZINC001050801862 760880455 /nfs/dbraw/zinc/88/04/55/760880455.db2.gz XLHXPXLHROHZCT-HIFRSBDPSA-N 1 1 339.403 0.945 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4COCCO4)C[C@H]3C2)cc1 ZINC001048690205 760941340 /nfs/dbraw/zinc/94/13/40/760941340.db2.gz IVDQMVNLTOFPEM-KSZLIROESA-N 1 1 341.411 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cn[nH]c4)C[C@H]3C2)C1=O ZINC001048699445 760966385 /nfs/dbraw/zinc/96/63/85/760966385.db2.gz QYLHYZANDXWNCX-QLFBSQMISA-N 1 1 329.404 0.200 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC4N=NC(=O)N4C3)CCC[C@H]12 ZINC000991444803 760973211 /nfs/dbraw/zinc/97/32/11/760973211.db2.gz GILHMXQDFFEZTG-GDZNZVCISA-N 1 1 331.420 0.845 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccnn4C)C[C@H]3C2)C1=O ZINC001048717130 761015541 /nfs/dbraw/zinc/01/55/41/761015541.db2.gz NMCZGPINNMEVPG-LZWOXQAQSA-N 1 1 343.431 0.211 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]3C2)C1=O ZINC001048723762 761045311 /nfs/dbraw/zinc/04/53/11/761045311.db2.gz OTJUJDSEAFCMFU-VVLHAWIVSA-N 1 1 346.475 0.258 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]3C2)C1=O ZINC001048723762 761045321 /nfs/dbraw/zinc/04/53/21/761045321.db2.gz OTJUJDSEAFCMFU-VVLHAWIVSA-N 1 1 346.475 0.258 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C(=O)C(C)(C)C)C[C@H]3C2)C1=O ZINC001048727345 761053684 /nfs/dbraw/zinc/05/36/84/761053684.db2.gz MKFWJMBLAGLBJG-ZNMIVQPWSA-N 1 1 347.459 0.779 20 30 ECEDMO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)o1 ZINC001048749879 761108745 /nfs/dbraw/zinc/10/87/45/761108745.db2.gz RAZFEOMLKZHDGG-BETUJISGSA-N 1 1 326.360 0.782 20 30 ECEDMO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)o1 ZINC001048749879 761108750 /nfs/dbraw/zinc/10/87/50/761108750.db2.gz RAZFEOMLKZHDGG-BETUJISGSA-N 1 1 326.360 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H](C)c2nncn2C)C1 ZINC001030031492 761201463 /nfs/dbraw/zinc/20/14/63/761201463.db2.gz SSDAIVIGGWLXFZ-JYJNAYRXSA-N 1 1 344.463 0.554 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H](C)c2nncn2C)C1 ZINC001030031492 761201468 /nfs/dbraw/zinc/20/14/68/761201468.db2.gz SSDAIVIGGWLXFZ-JYJNAYRXSA-N 1 1 344.463 0.554 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001013257223 761233111 /nfs/dbraw/zinc/23/31/11/761233111.db2.gz AFPBJAOLNLGLAA-SMDDNHRTSA-N 1 1 340.387 0.811 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001077449270 761244250 /nfs/dbraw/zinc/24/42/50/761244250.db2.gz XOJCTSVYPMZXEF-UKRRQHHQSA-N 1 1 345.403 0.072 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)[C@]3(C)CCC(=O)N3)C2)C1=O ZINC001030033895 761292663 /nfs/dbraw/zinc/29/26/63/761292663.db2.gz IXTNPLVNMUXBHM-DEYYWGMASA-N 1 1 348.447 0.023 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)[C@]3(C)CCC(=O)N3)C2)C1=O ZINC001030033895 761292667 /nfs/dbraw/zinc/29/26/67/761292667.db2.gz IXTNPLVNMUXBHM-DEYYWGMASA-N 1 1 348.447 0.023 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cnc3ccc(C)cc32)[C@@H](O)C1 ZINC001083724318 768025788 /nfs/dbraw/zinc/02/57/88/768025788.db2.gz CIGQDCUIHAIXOA-WBVHZDCISA-N 1 1 326.400 0.529 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001051012999 761334609 /nfs/dbraw/zinc/33/46/09/761334609.db2.gz YMWMTPWGJHPFLC-LBPRGKRZSA-N 1 1 348.428 0.763 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001051012999 761334615 /nfs/dbraw/zinc/33/46/15/761334615.db2.gz YMWMTPWGJHPFLC-LBPRGKRZSA-N 1 1 348.428 0.763 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051029608 761365694 /nfs/dbraw/zinc/36/56/94/761365694.db2.gz QVIKGZKIGKJJTN-GARNVTTQSA-N 1 1 335.448 0.243 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001054532377 768032880 /nfs/dbraw/zinc/03/28/80/768032880.db2.gz PHMKSNYEEMFJPQ-SMDDNHRTSA-N 1 1 342.407 0.533 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)n1 ZINC001054547177 768037827 /nfs/dbraw/zinc/03/78/27/768037827.db2.gz LMQRUMFOMBWOQW-NHYWBVRUSA-N 1 1 327.392 0.748 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001051089445 761471275 /nfs/dbraw/zinc/47/12/75/761471275.db2.gz LXMOAAFYEVKZND-CABCVRRESA-N 1 1 347.463 0.703 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001051089445 761471278 /nfs/dbraw/zinc/47/12/78/761471278.db2.gz LXMOAAFYEVKZND-CABCVRRESA-N 1 1 347.463 0.703 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(Cl)c(C#N)s1 ZINC001105754009 761529200 /nfs/dbraw/zinc/52/92/00/761529200.db2.gz DEGILKVBHFMUBM-BDAKNGLRSA-N 1 1 343.840 0.651 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001054572212 768046132 /nfs/dbraw/zinc/04/61/32/768046132.db2.gz MIHJOKXOXWJFQY-RISCZKNCSA-N 1 1 327.392 0.748 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001051164078 761591561 /nfs/dbraw/zinc/59/15/61/761591561.db2.gz NLDRMEDYZJNAJC-AWEZNQCLSA-N 1 1 345.403 0.832 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001051164078 761591563 /nfs/dbraw/zinc/59/15/63/761591563.db2.gz NLDRMEDYZJNAJC-AWEZNQCLSA-N 1 1 345.403 0.832 20 30 ECEDMO C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001051188566 761647001 /nfs/dbraw/zinc/64/70/01/761647001.db2.gz LDJIHRAWFGBGHN-NVXWUHKLSA-N 1 1 347.459 0.475 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054587622 768055307 /nfs/dbraw/zinc/05/53/07/768055307.db2.gz MVLMQSFSPYORPN-YGRLFVJLSA-N 1 1 340.391 0.458 20 30 ECEDMO N#CCN1CCOC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001051188769 761647783 /nfs/dbraw/zinc/64/77/83/761647783.db2.gz LENRDERMFRDPRS-HNNXBMFYSA-N 1 1 326.360 0.221 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001054588048 768056242 /nfs/dbraw/zinc/05/62/42/768056242.db2.gz ODOXZIYCBKJZMD-BXUZGUMPSA-N 1 1 327.392 0.748 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001051203170 761680993 /nfs/dbraw/zinc/68/09/93/761680993.db2.gz GLICEBBKCHJIDY-ZDUSSCGKSA-N 1 1 345.403 0.832 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001051203170 761680995 /nfs/dbraw/zinc/68/09/95/761680995.db2.gz GLICEBBKCHJIDY-ZDUSSCGKSA-N 1 1 345.403 0.832 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2Cc2cccc(C#N)c2)C1 ZINC001051239271 761739852 /nfs/dbraw/zinc/73/98/52/761739852.db2.gz AJVBRHLITQWSDH-ROUUACIJSA-N 1 1 342.443 0.827 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2cccc3c2CCN(CC#N)C3)C1 ZINC001051306629 761858415 /nfs/dbraw/zinc/85/84/15/761858415.db2.gz IZTMNPDQMQCFCK-GOSISDBHSA-N 1 1 342.443 0.905 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2cccc3c2CCN(CC#N)C3)C1 ZINC001051306629 761858426 /nfs/dbraw/zinc/85/84/26/761858426.db2.gz IZTMNPDQMQCFCK-GOSISDBHSA-N 1 1 342.443 0.905 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)c3ccc(=O)n(C)n3)cccc2C1 ZINC001051306627 761859230 /nfs/dbraw/zinc/85/92/30/761859230.db2.gz IZAIJFZKZKAUHF-UHFFFAOYSA-N 1 1 336.395 0.702 20 30 ECEDMO C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC000991688195 762737238 /nfs/dbraw/zinc/73/72/38/762737238.db2.gz MYRSDBXHXOYXGI-OAHLLOKOSA-N 1 1 346.435 0.279 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014565067 762835655 /nfs/dbraw/zinc/83/56/55/762835655.db2.gz LIAQZGAMCXFSQP-OAHLLOKOSA-N 1 1 340.387 0.549 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014565067 762835660 /nfs/dbraw/zinc/83/56/60/762835660.db2.gz LIAQZGAMCXFSQP-OAHLLOKOSA-N 1 1 340.387 0.549 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001014616432 762910173 /nfs/dbraw/zinc/91/01/73/762910173.db2.gz LTAICCSJPYJKJS-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)CC1 ZINC001051802453 762999697 /nfs/dbraw/zinc/99/96/97/762999697.db2.gz WRDVNFBPOIWAOH-AWEZNQCLSA-N 1 1 334.424 0.274 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)ccc1F ZINC001014710994 763025601 /nfs/dbraw/zinc/02/56/01/763025601.db2.gz KYHVVGOCLDUWOF-DZGCQCFKSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)ccc1F ZINC001014710994 763025607 /nfs/dbraw/zinc/02/56/07/763025607.db2.gz KYHVVGOCLDUWOF-DZGCQCFKSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001014725690 763042763 /nfs/dbraw/zinc/04/27/63/763042763.db2.gz QMLDWHJPPLIJDO-CVEARBPZSA-N 1 1 343.431 0.736 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001014725487 763042957 /nfs/dbraw/zinc/04/29/57/763042957.db2.gz PAMCZMHSVXLWTQ-AWEZNQCLSA-N 1 1 344.415 0.627 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2CC)C1 ZINC001051834464 763076675 /nfs/dbraw/zinc/07/66/75/763076675.db2.gz OKJAXGVCCRAALF-ZNMIVQPWSA-N 1 1 349.435 0.206 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1C ZINC001105971921 763120298 /nfs/dbraw/zinc/12/02/98/763120298.db2.gz WRPRCLANUILHMH-MGPQQGTHSA-N 1 1 333.436 0.327 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnn(CC)n2)C1 ZINC001014769380 763124818 /nfs/dbraw/zinc/12/48/18/763124818.db2.gz KOGNMWRRIPPWHU-HOCLYGCPSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnn(CC)n2)C1 ZINC001014769380 763124822 /nfs/dbraw/zinc/12/48/22/763124822.db2.gz KOGNMWRRIPPWHU-HOCLYGCPSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001046817742 763169133 /nfs/dbraw/zinc/16/91/33/763169133.db2.gz CSYFXOMPSBUBJZ-QGZVFWFLSA-N 1 1 326.404 0.959 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001046850582 763231933 /nfs/dbraw/zinc/23/19/33/763231933.db2.gz WVDTUPUQLJRTHB-VQIMIIECSA-N 1 1 346.475 0.143 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(=O)cn1 ZINC001089857509 763264103 /nfs/dbraw/zinc/26/41/03/763264103.db2.gz ZHTCIMFTJSXGOP-NHIYQJMISA-N 1 1 326.400 0.576 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nocc3C)C2)nc1 ZINC001051908834 763303442 /nfs/dbraw/zinc/30/34/42/763303442.db2.gz MMEKUOSUJXNCEJ-OAHLLOKOSA-N 1 1 340.383 0.990 20 30 ECEDMO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2[nH]nnc2C)C1 ZINC001031890632 763329297 /nfs/dbraw/zinc/32/92/97/763329297.db2.gz HSAPIEQJDRIJDV-UHFFFAOYSA-N 1 1 340.387 0.855 20 30 ECEDMO C[C@H](O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046931425 763410112 /nfs/dbraw/zinc/41/01/12/763410112.db2.gz UKACPJAHCBQVGI-CMPLNLGQSA-N 1 1 326.347 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCC(C)CC2)C1 ZINC001030462236 763437099 /nfs/dbraw/zinc/43/70/99/763437099.db2.gz MTFGUGUKOJRXGM-KRWDZBQOSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCC(C)CC2)C1 ZINC001030462236 763437109 /nfs/dbraw/zinc/43/71/09/763437109.db2.gz MTFGUGUKOJRXGM-KRWDZBQOSA-N 1 1 346.475 0.143 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)O1 ZINC001046948853 763441001 /nfs/dbraw/zinc/44/10/01/763441001.db2.gz ODJITAVBUFMVNS-FRRDWIJNSA-N 1 1 330.379 0.302 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)O1 ZINC001046948853 763441003 /nfs/dbraw/zinc/44/10/03/763441003.db2.gz ODJITAVBUFMVNS-FRRDWIJNSA-N 1 1 330.379 0.302 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nc(C3CC3)no2)C1 ZINC001030463143 763442573 /nfs/dbraw/zinc/44/25/73/763442573.db2.gz DGIRJCFHULBLSD-DOMZBBRYSA-N 1 1 343.431 0.906 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nc(C3CC3)no2)C1 ZINC001030463143 763442579 /nfs/dbraw/zinc/44/25/79/763442579.db2.gz DGIRJCFHULBLSD-DOMZBBRYSA-N 1 1 343.431 0.906 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046948984 763442934 /nfs/dbraw/zinc/44/29/34/763442934.db2.gz AOEIRENDAIZBGV-GFCCVEGCSA-N 1 1 338.358 0.491 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001046951498 763447419 /nfs/dbraw/zinc/44/74/19/763447419.db2.gz MNUVYXMGKIPGDE-STQMWFEESA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001046954131 763453964 /nfs/dbraw/zinc/45/39/64/763453964.db2.gz QIJFOYCMXWVAHF-QWHCGFSZSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001046954131 763453967 /nfs/dbraw/zinc/45/39/67/763453967.db2.gz QIJFOYCMXWVAHF-QWHCGFSZSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2cnc(C)cn2)C1 ZINC001030464158 763456232 /nfs/dbraw/zinc/45/62/32/763456232.db2.gz JPGUVJGRADNBFJ-PBHICJAKSA-N 1 1 327.432 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2cnc(C)cn2)C1 ZINC001030464158 763456237 /nfs/dbraw/zinc/45/62/37/763456237.db2.gz JPGUVJGRADNBFJ-PBHICJAKSA-N 1 1 327.432 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(OC)n(C)n2)C1 ZINC001046955565 763457479 /nfs/dbraw/zinc/45/74/79/763457479.db2.gz DAWIHPBJXJGCNZ-LLVKDONJSA-N 1 1 326.347 0.749 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(OC)n(C)n2)C1 ZINC001046955565 763457484 /nfs/dbraw/zinc/45/74/84/763457484.db2.gz DAWIHPBJXJGCNZ-LLVKDONJSA-N 1 1 326.347 0.749 20 30 ECEDMO C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001046957771 763462044 /nfs/dbraw/zinc/46/20/44/763462044.db2.gz RNNQIAVQZSTPRO-LBPRGKRZSA-N 1 1 336.346 0.997 20 30 ECEDMO C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001014924696 763465880 /nfs/dbraw/zinc/46/58/80/763465880.db2.gz NNYGSKHMJAHDJD-FHLIZLRMSA-N 1 1 342.443 0.968 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046962397 763471593 /nfs/dbraw/zinc/47/15/93/763471593.db2.gz JLACETVXLVBNFN-NEPJUHHUSA-N 1 1 328.363 0.107 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046962397 763471598 /nfs/dbraw/zinc/47/15/98/763471598.db2.gz JLACETVXLVBNFN-NEPJUHHUSA-N 1 1 328.363 0.107 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001046964900 763476639 /nfs/dbraw/zinc/47/66/39/763476639.db2.gz ZPGGITCAMZBCME-OLZOCXBDSA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001046964900 763476644 /nfs/dbraw/zinc/47/66/44/763476644.db2.gz ZPGGITCAMZBCME-OLZOCXBDSA-N 1 1 327.375 0.561 20 30 ECEDMO N#Cc1nccnc1NC[C@H](O)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001105995071 763482586 /nfs/dbraw/zinc/48/25/86/763482586.db2.gz LPEROWJHEVFGRV-WCQYABFASA-N 1 1 341.375 0.011 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001046970197 763488567 /nfs/dbraw/zinc/48/85/67/763488567.db2.gz HERQGFZZKYISJQ-LLVKDONJSA-N 1 1 326.347 0.836 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046970197 763488576 /nfs/dbraw/zinc/48/85/76/763488576.db2.gz HERQGFZZKYISJQ-LLVKDONJSA-N 1 1 326.347 0.836 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046970197 763488583 /nfs/dbraw/zinc/48/85/83/763488583.db2.gz HERQGFZZKYISJQ-LLVKDONJSA-N 1 1 326.347 0.836 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001046974946 763494764 /nfs/dbraw/zinc/49/47/64/763494764.db2.gz QZYXSVOQJUAFFW-HZSPNIEDSA-N 1 1 341.402 0.985 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001046974946 763494765 /nfs/dbraw/zinc/49/47/65/763494765.db2.gz QZYXSVOQJUAFFW-HZSPNIEDSA-N 1 1 341.402 0.985 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046979913 763501187 /nfs/dbraw/zinc/50/11/87/763501187.db2.gz CJYZZLDSKAKGJQ-LLVKDONJSA-N 1 1 336.346 0.997 20 30 ECEDMO C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046979913 763501191 /nfs/dbraw/zinc/50/11/91/763501191.db2.gz CJYZZLDSKAKGJQ-LLVKDONJSA-N 1 1 336.346 0.997 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001046992361 763527106 /nfs/dbraw/zinc/52/71/06/763527106.db2.gz SUKSJTAMXQUIRE-KBPBESRZSA-N 1 1 345.390 0.493 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046995197 763534191 /nfs/dbraw/zinc/53/41/91/763534191.db2.gz NXRAHBWYAWECKX-LBPRGKRZSA-N 1 1 342.390 0.987 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(CCO)CCC2(F)F)CC1 ZINC001046996090 763535761 /nfs/dbraw/zinc/53/57/61/763535761.db2.gz SMVJCVLELVNTLN-OAHLLOKOSA-N 1 1 343.418 0.397 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001046997376 763538614 /nfs/dbraw/zinc/53/86/14/763538614.db2.gz FNOUJZPQFRCMCP-AJNGGQMLSA-N 1 1 342.447 0.807 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3nc(C)no3)C2)nn1 ZINC000995112809 763564487 /nfs/dbraw/zinc/56/44/87/763564487.db2.gz MCLBRVUZCDZXJP-QWHCGFSZSA-N 1 1 345.407 0.844 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)CC1 ZINC001052026159 763618946 /nfs/dbraw/zinc/61/89/46/763618946.db2.gz AYBZHYCIWVSGTR-OWCLPIDISA-N 1 1 334.464 0.306 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)CC1 ZINC001052026159 763618953 /nfs/dbraw/zinc/61/89/53/763618953.db2.gz AYBZHYCIWVSGTR-OWCLPIDISA-N 1 1 334.464 0.306 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3onc(C)c32)C1 ZINC001077471647 763626727 /nfs/dbraw/zinc/62/67/27/763626727.db2.gz WLLZXEMKQUCFCA-ZIAGYGMSSA-N 1 1 328.372 0.638 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030072 763628171 /nfs/dbraw/zinc/62/81/71/763628171.db2.gz GVPOHJXRJDTWFL-HZPDHXFCSA-N 1 1 331.464 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030072 763628177 /nfs/dbraw/zinc/62/81/77/763628177.db2.gz GVPOHJXRJDTWFL-HZPDHXFCSA-N 1 1 331.464 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 ZINC001047078801 763636704 /nfs/dbraw/zinc/63/67/04/763636704.db2.gz YFKXBMUGLGOKDS-BPUTZDHNSA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 ZINC001047078801 763636710 /nfs/dbraw/zinc/63/67/10/763636710.db2.gz YFKXBMUGLGOKDS-BPUTZDHNSA-N 1 1 338.415 0.753 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4ncccc34)C2)CC1 ZINC001052037001 763651952 /nfs/dbraw/zinc/65/19/52/763651952.db2.gz ARHJEKICEPHPQT-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4ncccc34)C2)CC1 ZINC001052037001 763651956 /nfs/dbraw/zinc/65/19/56/763651956.db2.gz ARHJEKICEPHPQT-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4n3CCC4)C2)CC1 ZINC001052037413 763654884 /nfs/dbraw/zinc/65/48/84/763654884.db2.gz LWNOVIITXPPOOJ-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)ncn3C)C2)CC1 ZINC001052037425 763655144 /nfs/dbraw/zinc/65/51/44/763655144.db2.gz LYGANTANIQZAPC-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C2)CC1 ZINC001052041416 763666319 /nfs/dbraw/zinc/66/63/19/763666319.db2.gz HNGVHXKUVBPWKF-MRXNPFEDSA-N 1 1 331.464 0.919 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cncs3)C2)CC1 ZINC001052041421 763667051 /nfs/dbraw/zinc/66/70/51/763667051.db2.gz HSLDORJFFNBPNN-HNNXBMFYSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)nc3CC)C2)CC1 ZINC001052041615 763668079 /nfs/dbraw/zinc/66/80/79/763668079.db2.gz MUQFAYVCLBEBTM-HNNXBMFYSA-N 1 1 329.448 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CCCOC2)C1 ZINC000991808451 763671309 /nfs/dbraw/zinc/67/13/09/763671309.db2.gz YDWUWUYCQZHOMY-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CCCOC2)C1 ZINC000991808451 763671311 /nfs/dbraw/zinc/67/13/11/763671311.db2.gz YDWUWUYCQZHOMY-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3COCCN3CC)C2)CC1 ZINC001052044718 763680193 /nfs/dbraw/zinc/68/01/93/763680193.db2.gz KIOCUHZRMDGKEC-IRXDYDNUSA-N 1 1 336.480 0.112 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3COCCN3CC)C2)CC1 ZINC001052044718 763680197 /nfs/dbraw/zinc/68/01/97/763680197.db2.gz KIOCUHZRMDGKEC-IRXDYDNUSA-N 1 1 336.480 0.112 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnnc3C)C2)CC1 ZINC001052046724 763688574 /nfs/dbraw/zinc/68/85/74/763688574.db2.gz CVVNTAUQZKDITN-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(C)c3CC)C2)CC1 ZINC001052047952 763692290 /nfs/dbraw/zinc/69/22/90/763692290.db2.gz GOONCVNZKVBPIH-INIZCTEOSA-N 1 1 343.475 0.838 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001052050166 763705108 /nfs/dbraw/zinc/70/51/08/763705108.db2.gz JCKGOAOZDIYJGN-UONOGXRCSA-N 1 1 340.493 0.794 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cc1 ZINC001015042088 763734872 /nfs/dbraw/zinc/73/48/72/763734872.db2.gz HYZYPJAMFANMOR-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)c1 ZINC001089860569 763754829 /nfs/dbraw/zinc/75/48/29/763754829.db2.gz XWCMCWMUVSCTLS-HZMVEIRTSA-N 1 1 338.411 0.712 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3CCC)C2)C1=O ZINC001015052441 763758514 /nfs/dbraw/zinc/75/85/14/763758514.db2.gz LFBLQBIUMQAECT-XJKSGUPXSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3CCC)C2)C1=O ZINC001015052441 763758516 /nfs/dbraw/zinc/75/85/16/763758516.db2.gz LFBLQBIUMQAECT-XJKSGUPXSA-N 1 1 345.447 0.953 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C2)CC1 ZINC001052077291 763785830 /nfs/dbraw/zinc/78/58/30/763785830.db2.gz QPPGQDCHZRJWNW-HNNXBMFYSA-N 1 1 347.463 0.924 20 30 ECEDMO COc1cc(=O)[nH]cc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052087095 763817504 /nfs/dbraw/zinc/81/75/04/763817504.db2.gz YPVGCODGJALRND-ZDUSSCGKSA-N 1 1 345.403 0.151 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#CC)CC2)C1 ZINC001052089585 763824294 /nfs/dbraw/zinc/82/42/94/763824294.db2.gz RMXLAMJKKRTOQM-KSZLIROESA-N 1 1 331.460 0.819 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(CCC)c3)C2)CC1 ZINC001052089205 763824320 /nfs/dbraw/zinc/82/43/20/763824320.db2.gz PRVHHLWHCMJKPZ-KRWDZBQOSA-N 1 1 329.448 0.758 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4cccnn34)C2)CC1 ZINC001052094455 763840195 /nfs/dbraw/zinc/84/01/95/763840195.db2.gz SZWPNVCGCHSXOS-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C2)CC1 ZINC001052096849 763848585 /nfs/dbraw/zinc/84/85/85/763848585.db2.gz QJPUDMBQMIDJDD-CYBMUJFWSA-N 1 1 348.472 0.865 20 30 ECEDMO C[C@H](CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)n1cccn1 ZINC001052102637 763866228 /nfs/dbraw/zinc/86/62/28/763866228.db2.gz GGJJJUXNPBMCIN-CVEARBPZSA-N 1 1 330.436 0.576 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(CCC)nn3)C2)CC1 ZINC001052102376 763867133 /nfs/dbraw/zinc/86/71/33/763867133.db2.gz FKFYLRRKLRYFPV-INIZCTEOSA-N 1 1 344.463 0.544 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C(C)C)nn3)C2)CC1 ZINC001052103090 763868262 /nfs/dbraw/zinc/86/82/62/763868262.db2.gz LOWZWLQHESCHHG-INIZCTEOSA-N 1 1 344.463 0.714 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001017596972 768171543 /nfs/dbraw/zinc/17/15/43/768171543.db2.gz PXRSQIOSFRERNK-OAGGEKHMSA-N 1 1 333.432 0.180 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)Cn2c[nH+]cc2C)n1 ZINC001106026731 763875962 /nfs/dbraw/zinc/87/59/62/763875962.db2.gz QBYVXKNPXTZEKW-ZDUSSCGKSA-N 1 1 343.391 0.005 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106334 763880233 /nfs/dbraw/zinc/88/02/33/763880233.db2.gz IIEOOKPWOVYWPC-KRWDZBQOSA-N 1 1 331.464 0.850 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106334 763880242 /nfs/dbraw/zinc/88/02/42/763880242.db2.gz IIEOOKPWOVYWPC-KRWDZBQOSA-N 1 1 331.464 0.850 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CN3CCCCCC3=O)C2)CC1 ZINC001052117247 763926603 /nfs/dbraw/zinc/92/66/03/763926603.db2.gz JFIQYMWZTFMNKS-INIZCTEOSA-N 1 1 347.463 0.131 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(C)nc3)C2)CC1 ZINC001052117828 763929886 /nfs/dbraw/zinc/92/98/86/763929886.db2.gz DWRAXDZNVKYXLS-SFHVURJKSA-N 1 1 326.444 0.784 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccnc3C(N)=O)C2)CC1 ZINC001052119644 763936612 /nfs/dbraw/zinc/93/66/12/763936612.db2.gz TVFRZGPIFPSUMG-AWEZNQCLSA-N 1 1 343.431 0.199 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000942200724 764072476 /nfs/dbraw/zinc/07/24/76/764072476.db2.gz NXNLDQDIDBCHGL-GXTWGEPZSA-N 1 1 342.871 0.340 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000942200724 764072490 /nfs/dbraw/zinc/07/24/90/764072490.db2.gz NXNLDQDIDBCHGL-GXTWGEPZSA-N 1 1 342.871 0.340 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001088868776 764094301 /nfs/dbraw/zinc/09/43/01/764094301.db2.gz XXWHGYQEBQVWGX-KBXIAJHMSA-N 1 1 349.431 0.306 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnsn3)CC2)C1=O ZINC001052230657 764100128 /nfs/dbraw/zinc/10/01/28/764100128.db2.gz FQWASGJZXGUEJA-JSGCOSHPSA-N 1 1 349.460 0.909 20 30 ECEDMO Cc1c[nH]nc1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047372937 764146903 /nfs/dbraw/zinc/14/69/03/764146903.db2.gz NMRRMTOPSLCZKC-HOTGVXAUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1c[nH]nc1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047372937 764146908 /nfs/dbraw/zinc/14/69/08/764146908.db2.gz NMRRMTOPSLCZKC-HOTGVXAUSA-N 1 1 339.399 0.907 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001089866447 764159928 /nfs/dbraw/zinc/15/99/28/764159928.db2.gz CJAUAPMWWYAWHV-ZJOBFFGXSA-N 1 1 340.427 0.919 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001047379985 764168221 /nfs/dbraw/zinc/16/82/21/764168221.db2.gz UGGCIQGARMWVBP-JQFCIGGWSA-N 1 1 348.447 0.539 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001047379985 764168228 /nfs/dbraw/zinc/16/82/28/764168228.db2.gz UGGCIQGARMWVBP-JQFCIGGWSA-N 1 1 348.447 0.539 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2[C@H](C)CCC3)C1 ZINC001047388678 764188849 /nfs/dbraw/zinc/18/88/49/764188849.db2.gz HHSVOWMZYQZVAD-KBMXLJTQSA-N 1 1 330.432 0.921 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2[C@H](C)CCC3)C1 ZINC001047388678 764188853 /nfs/dbraw/zinc/18/88/53/764188853.db2.gz HHSVOWMZYQZVAD-KBMXLJTQSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001047392678 764198281 /nfs/dbraw/zinc/19/82/81/764198281.db2.gz DYRKRTIJPLRIRZ-IKGGRYGDSA-N 1 1 328.412 0.907 20 30 ECEDMO C=CCn1cc(C(=O)NCC2C[NH+](Cc3cn(C)nc3C)C2)nn1 ZINC001032035802 764224876 /nfs/dbraw/zinc/22/48/76/764224876.db2.gz MNLCDPJFZOEHAB-UHFFFAOYSA-N 1 1 329.408 0.368 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)F)n2)C1 ZINC001047401831 764227324 /nfs/dbraw/zinc/22/73/24/764227324.db2.gz GCQZNDBGUCZKNS-STQMWFEESA-N 1 1 326.347 0.348 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)c[nH]1 ZINC001052316382 764239354 /nfs/dbraw/zinc/23/93/54/764239354.db2.gz XFUPCCUXSYHCPJ-ZDUSSCGKSA-N 1 1 329.404 0.749 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2C[NH+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001032040998 764249424 /nfs/dbraw/zinc/24/94/24/764249424.db2.gz AIVBCKUYVQFCIZ-HNNXBMFYSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001047407678 764251420 /nfs/dbraw/zinc/25/14/20/764251420.db2.gz MNJHZDJGGOZEQP-SQNIBIBYSA-N 1 1 349.475 0.157 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001047407678 764251424 /nfs/dbraw/zinc/25/14/24/764251424.db2.gz MNJHZDJGGOZEQP-SQNIBIBYSA-N 1 1 349.475 0.157 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001047410108 764259374 /nfs/dbraw/zinc/25/93/74/764259374.db2.gz DKKPOELIYJFXRB-ULQDDVLXSA-N 1 1 341.411 0.040 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001047410108 764259379 /nfs/dbraw/zinc/25/93/79/764259379.db2.gz DKKPOELIYJFXRB-ULQDDVLXSA-N 1 1 341.411 0.040 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc3ncn(C)c32)C1 ZINC001047414637 764272361 /nfs/dbraw/zinc/27/23/61/764272361.db2.gz PFKVWTHFBGPPKS-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc3ncn(C)c32)C1 ZINC001047414637 764272364 /nfs/dbraw/zinc/27/23/64/764272364.db2.gz PFKVWTHFBGPPKS-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cncs2)C[C@@H]1O ZINC001047415306 764272790 /nfs/dbraw/zinc/27/27/90/764272790.db2.gz RZTYOYROKKKLNC-JYJNAYRXSA-N 1 1 348.472 0.244 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cncs2)C[C@@H]1O ZINC001047415306 764272796 /nfs/dbraw/zinc/27/27/96/764272796.db2.gz RZTYOYROKKKLNC-JYJNAYRXSA-N 1 1 348.472 0.244 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2ccccn2)C[C@@H]1O ZINC001047415080 764274275 /nfs/dbraw/zinc/27/42/75/764274275.db2.gz FNQGGUHMPWKDLR-BZSNNMDCSA-N 1 1 342.443 0.183 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2ccccn2)C[C@@H]1O ZINC001047415080 764274279 /nfs/dbraw/zinc/27/42/79/764274279.db2.gz FNQGGUHMPWKDLR-BZSNNMDCSA-N 1 1 342.443 0.183 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)C1 ZINC001106069000 764297450 /nfs/dbraw/zinc/29/74/50/764297450.db2.gz KOIWCFADMYUKHD-HZPDHXFCSA-N 1 1 345.447 0.964 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001047427767 764314970 /nfs/dbraw/zinc/31/49/70/764314970.db2.gz HEXHWYUJACYGKA-YFKTTZPYSA-N 1 1 338.326 0.022 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001047427767 764314974 /nfs/dbraw/zinc/31/49/74/764314974.db2.gz HEXHWYUJACYGKA-YFKTTZPYSA-N 1 1 338.326 0.022 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001047438236 764344641 /nfs/dbraw/zinc/34/46/41/764344641.db2.gz DKFDVYFUPYGMFO-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001047438236 764344642 /nfs/dbraw/zinc/34/46/42/764344642.db2.gz DKFDVYFUPYGMFO-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001047439084 764347279 /nfs/dbraw/zinc/34/72/79/764347279.db2.gz XARFSORSBWHBBE-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052379567 764368248 /nfs/dbraw/zinc/36/82/48/764368248.db2.gz PACXRIUAMAXRRA-HUUCEWRRSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001047445542 764369212 /nfs/dbraw/zinc/36/92/12/764369212.db2.gz BLYZEMXRXOGRIH-HOTGVXAUSA-N 1 1 329.400 0.509 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001047445542 764369220 /nfs/dbraw/zinc/36/92/20/764369220.db2.gz BLYZEMXRXOGRIH-HOTGVXAUSA-N 1 1 329.400 0.509 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001047446085 764370928 /nfs/dbraw/zinc/37/09/28/764370928.db2.gz UDIUVCWPBAFNDQ-IRXDYDNUSA-N 1 1 343.427 0.899 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001047460241 764412288 /nfs/dbraw/zinc/41/22/88/764412288.db2.gz AQUGNZSESNGGGL-HOTGVXAUSA-N 1 1 343.431 0.819 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H]2C)nn1 ZINC001088911162 764429854 /nfs/dbraw/zinc/42/98/54/764429854.db2.gz BJVKODXYANNHBP-KGLIPLIRSA-N 1 1 344.423 0.339 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001047472453 764440969 /nfs/dbraw/zinc/44/09/69/764440969.db2.gz CWXRJIQWZXTVTE-BPUTZDHNSA-N 1 1 348.447 0.617 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ncccc3F)C2)C1=O ZINC001032072338 764459796 /nfs/dbraw/zinc/45/97/96/764459796.db2.gz LZJIMDTZFXNZLT-CQSZACIVSA-N 1 1 332.379 0.669 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2OCCc3ccccc32)C1 ZINC001047482342 764478281 /nfs/dbraw/zinc/47/82/81/764478281.db2.gz SCKFGIMVMQLWHQ-BZSNNMDCSA-N 1 1 328.412 0.827 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CNC(=O)C1 ZINC001015378218 764478569 /nfs/dbraw/zinc/47/85/69/764478569.db2.gz VEKPFMFRRFNODX-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CNC(=O)C1 ZINC001015378218 764478574 /nfs/dbraw/zinc/47/85/74/764478574.db2.gz VEKPFMFRRFNODX-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503974 764534938 /nfs/dbraw/zinc/53/49/38/764534938.db2.gz UAQORSMTEJBTTC-AGIUHOORSA-N 1 1 333.354 0.007 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503974 764534943 /nfs/dbraw/zinc/53/49/43/764534943.db2.gz UAQORSMTEJBTTC-AGIUHOORSA-N 1 1 333.354 0.007 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001052457478 764541097 /nfs/dbraw/zinc/54/10/97/764541097.db2.gz RVEBVUYJHXLFBW-CVEARBPZSA-N 1 1 334.464 0.143 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001054745426 768221168 /nfs/dbraw/zinc/22/11/68/768221168.db2.gz IYJFQVLDFCMNRZ-OLZOCXBDSA-N 1 1 329.408 0.448 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cncn3)c2)C1 ZINC001047521423 764580920 /nfs/dbraw/zinc/58/09/20/764580920.db2.gz QYHVGDWCTLCJIT-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001052476983 764586169 /nfs/dbraw/zinc/58/61/69/764586169.db2.gz DBMSPMZOLFAROS-IRXDYDNUSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3cc(C)nc3c2)C1 ZINC001047528190 764600700 /nfs/dbraw/zinc/60/07/00/764600700.db2.gz MQSDITILQIZOOH-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1CCOCC1 ZINC001089875067 764601800 /nfs/dbraw/zinc/60/18/00/764601800.db2.gz LAOCYEBDYZYRQO-FJIDUMEYSA-N 1 1 331.460 0.511 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001052491339 764609555 /nfs/dbraw/zinc/60/95/55/764609555.db2.gz BXPCTLFNNOWPNE-HNNXBMFYSA-N 1 1 338.473 0.805 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnnn1 ZINC001089879599 764634529 /nfs/dbraw/zinc/63/45/29/764634529.db2.gz DDNJYDJHJAFMFK-JJXSEGSLSA-N 1 1 328.420 0.255 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnccc1=O ZINC001089882804 764660181 /nfs/dbraw/zinc/66/01/81/764660181.db2.gz GRGRBIPZTCULSJ-HZMVEIRTSA-N 1 1 340.427 0.435 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001047552143 764671693 /nfs/dbraw/zinc/67/16/93/764671693.db2.gz FVQMONAJIVJBRU-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scnc2COC)C1 ZINC001047553888 764678380 /nfs/dbraw/zinc/67/83/80/764678380.db2.gz CEOGXDSGOPFCCB-STQMWFEESA-N 1 1 325.434 0.983 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)nn1 ZINC001047553868 764678911 /nfs/dbraw/zinc/67/89/11/764678911.db2.gz BJUXKDQINXOKLC-BPUTZDHNSA-N 1 1 349.435 0.150 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nnnc2C(C)C)C1 ZINC001047554159 764679232 /nfs/dbraw/zinc/67/92/32/764679232.db2.gz MNDDFWPEMFLGMW-KBPBESRZSA-N 1 1 336.440 0.266 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)CC1 ZINC001052521576 764682131 /nfs/dbraw/zinc/68/21/31/764682131.db2.gz ABMDHSKTAXSXKC-INIZCTEOSA-N 1 1 331.416 0.712 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCCN2C(C)=O)C1 ZINC001047558163 764691406 /nfs/dbraw/zinc/69/14/06/764691406.db2.gz ZFSKVBADQAJRTN-ULQDDVLXSA-N 1 1 335.448 0.304 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCCN2C(C)=O)C1 ZINC001047558163 764691412 /nfs/dbraw/zinc/69/14/12/764691412.db2.gz ZFSKVBADQAJRTN-ULQDDVLXSA-N 1 1 335.448 0.304 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(=O)NC1=O ZINC001089885966 764696774 /nfs/dbraw/zinc/69/67/74/764696774.db2.gz KWWMUZQVRINPTB-XQLPTFJDSA-N 1 1 346.431 0.283 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001047572109 764732473 /nfs/dbraw/zinc/73/24/73/764732473.db2.gz HCYLKBPSIZSCJF-ULQDDVLXSA-N 1 1 343.427 0.941 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001015483373 764749429 /nfs/dbraw/zinc/74/94/29/764749429.db2.gz WCEIBLBMZYFXEC-HUUCEWRRSA-N 1 1 325.368 0.277 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001015483373 764749437 /nfs/dbraw/zinc/74/94/37/764749437.db2.gz WCEIBLBMZYFXEC-HUUCEWRRSA-N 1 1 325.368 0.277 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3[nH]cnc3C)[C@H]2C)C1=O ZINC001089005991 764753629 /nfs/dbraw/zinc/75/36/29/764753629.db2.gz JDPQPIAYBFCMLW-IJEWVQPXSA-N 1 1 345.447 0.627 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2csc(COC)n2)C1 ZINC001047591212 764803706 /nfs/dbraw/zinc/80/37/06/764803706.db2.gz RHOPOKNHGQLZTA-KBPBESRZSA-N 1 1 337.445 0.359 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2csc(COC)n2)C1 ZINC001047591212 764803719 /nfs/dbraw/zinc/80/37/19/764803719.db2.gz RHOPOKNHGQLZTA-KBPBESRZSA-N 1 1 337.445 0.359 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnn4cc[nH]c34)C2)C1=O ZINC001032153653 764818395 /nfs/dbraw/zinc/81/83/95/764818395.db2.gz VHZIFVQWJSEETH-CQSZACIVSA-N 1 1 342.403 0.111 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001047601618 764845648 /nfs/dbraw/zinc/84/56/48/764845648.db2.gz DCVFNYYHHIYXCS-BZSNNMDCSA-N 1 1 328.412 0.827 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001047601618 764845658 /nfs/dbraw/zinc/84/56/58/764845658.db2.gz DCVFNYYHHIYXCS-BZSNNMDCSA-N 1 1 328.412 0.827 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)c(OC)c2)C1 ZINC001047614337 764885693 /nfs/dbraw/zinc/88/56/93/764885693.db2.gz HPODXXZIAJUEHH-GJZGRUSLSA-N 1 1 332.400 0.844 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)c(OC)c2)C1 ZINC001047614337 764885701 /nfs/dbraw/zinc/88/57/01/764885701.db2.gz HPODXXZIAJUEHH-GJZGRUSLSA-N 1 1 332.400 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1=O ZINC001052640135 764915739 /nfs/dbraw/zinc/91/57/39/764915739.db2.gz FDLGFBALCFNZNM-NRKLIOEPSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)CC[N@@H+](C)CCC)C2)nn1 ZINC001098774124 764934736 /nfs/dbraw/zinc/93/47/36/764934736.db2.gz NSFLQLMJCFFNGT-KRWDZBQOSA-N 1 1 346.479 0.896 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001098774124 764934743 /nfs/dbraw/zinc/93/47/43/764934743.db2.gz NSFLQLMJCFFNGT-KRWDZBQOSA-N 1 1 346.479 0.896 20 30 ECEDMO N#CCN1CC[C@]2(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991959263 764946842 /nfs/dbraw/zinc/94/68/42/764946842.db2.gz XXWXTXLJRQJDBM-SLORLYHESA-N 1 1 330.432 0.486 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3[nH]cnc3C)[C@H]2C)C1=O ZINC001089080954 764991486 /nfs/dbraw/zinc/99/14/86/764991486.db2.gz UKRSHMLFHPLTSX-HZSPNIEDSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]cnc3C)[C@H]2C)C1=O ZINC001089080954 764991494 /nfs/dbraw/zinc/99/14/94/764991494.db2.gz UKRSHMLFHPLTSX-HZSPNIEDSA-N 1 1 331.420 0.698 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@H]12 ZINC000991977402 765032732 /nfs/dbraw/zinc/03/27/32/765032732.db2.gz UFIKQUFEOXINPK-ZQIUZPCESA-N 1 1 327.388 0.112 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000991980780 765044757 /nfs/dbraw/zinc/04/47/57/765044757.db2.gz JJOMRCXSGQRWSY-HGMXIMQMSA-N 1 1 329.404 0.605 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CNC(=O)N1 ZINC001015634773 765108163 /nfs/dbraw/zinc/10/81/63/765108163.db2.gz NRKDSICQTSWXBX-HUUCEWRRSA-N 1 1 346.818 0.563 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CNC(=O)N1 ZINC001015634773 765108169 /nfs/dbraw/zinc/10/81/69/765108169.db2.gz NRKDSICQTSWXBX-HUUCEWRRSA-N 1 1 346.818 0.563 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CCNC1=O ZINC001015695520 765176638 /nfs/dbraw/zinc/17/66/38/765176638.db2.gz LLBXBULPWLZOPU-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CCNC1=O ZINC001015695520 765176642 /nfs/dbraw/zinc/17/66/42/765176642.db2.gz LLBXBULPWLZOPU-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015711568 765212728 /nfs/dbraw/zinc/21/27/28/765212728.db2.gz KSDGWMOABQOKET-ZNMIVQPWSA-N 1 1 342.399 0.379 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015711568 765212732 /nfs/dbraw/zinc/21/27/32/765212732.db2.gz KSDGWMOABQOKET-ZNMIVQPWSA-N 1 1 342.399 0.379 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC001052842912 765215053 /nfs/dbraw/zinc/21/50/53/765215053.db2.gz FAHAOSRNZOHIGN-CYBMUJFWSA-N 1 1 334.420 0.311 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001052844188 765216270 /nfs/dbraw/zinc/21/62/70/765216270.db2.gz GXNZMVPOWVQFDM-GFCCVEGCSA-N 1 1 342.827 0.652 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)COC)C[C@H](C)O2 ZINC001111532454 765257091 /nfs/dbraw/zinc/25/70/91/765257091.db2.gz YHMRWOFEBPENOS-AWEZNQCLSA-N 1 1 339.436 0.017 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000992044732 765265084 /nfs/dbraw/zinc/26/50/84/765265084.db2.gz KTZJNZXEYZMBAD-OPFPJEHXSA-N 1 1 343.431 0.853 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H](CC)C(N)=O)CC2)nc1 ZINC001052873090 765270461 /nfs/dbraw/zinc/27/04/61/765270461.db2.gz ACQQRTPYPAAWKN-GDBMZVCRSA-N 1 1 328.416 0.911 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)CC2)nc1 ZINC001052874718 765275364 /nfs/dbraw/zinc/27/53/64/765275364.db2.gz IMVANMZLGKGBPI-OAHLLOKOSA-N 1 1 328.416 0.735 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC001052877839 765283204 /nfs/dbraw/zinc/28/32/04/765283204.db2.gz XLHCINPIOYGGMX-CQSZACIVSA-N 1 1 344.415 0.424 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC001052914685 765336403 /nfs/dbraw/zinc/33/64/03/765336403.db2.gz UEVCJYLAOQHWSB-CYBMUJFWSA-N 1 1 334.420 0.311 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)CN3CCCC3)CC2)C1=O ZINC001052938496 765387742 /nfs/dbraw/zinc/38/77/42/765387742.db2.gz YRANJIWYHAEGBS-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)CN3CCCC3)CC2)C1=O ZINC001052938496 765387750 /nfs/dbraw/zinc/38/77/50/765387750.db2.gz YRANJIWYHAEGBS-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015829248 765392564 /nfs/dbraw/zinc/39/25/64/765392564.db2.gz PFJNQQLGQQGENE-ILXRZTDVSA-N 1 1 336.436 0.183 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001052982967 765456601 /nfs/dbraw/zinc/45/66/01/765456601.db2.gz ZEJBKFNERXYMQB-DOTOQJQBSA-N 1 1 347.459 0.333 20 30 ECEDMO C=CCCOCC(=O)NC[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001052987266 765464460 /nfs/dbraw/zinc/46/44/60/765464460.db2.gz LJJSHSODWUVYCY-HOCLYGCPSA-N 1 1 348.447 0.995 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC001053006595 765480899 /nfs/dbraw/zinc/48/08/99/765480899.db2.gz VQHRFGKORJPJFB-HZPDHXFCSA-N 1 1 330.436 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnc(C)c3)C2)C1=O ZINC001015878362 765486666 /nfs/dbraw/zinc/48/66/66/765486666.db2.gz FFZQMLIFECKZPG-CVEARBPZSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccnc(C)c3)C2)C1=O ZINC001015878362 765486671 /nfs/dbraw/zinc/48/66/71/765486671.db2.gz FFZQMLIFECKZPG-CVEARBPZSA-N 1 1 328.416 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC001053029930 765501970 /nfs/dbraw/zinc/50/19/70/765501970.db2.gz YLIHQZLTJLBRQN-JKSUJKDBSA-N 1 1 342.443 0.978 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001053047710 765525762 /nfs/dbraw/zinc/52/57/62/765525762.db2.gz RNQDNSUIJUGBIL-GJZGRUSLSA-N 1 1 346.431 0.122 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000992113075 765525987 /nfs/dbraw/zinc/52/59/87/765525987.db2.gz JAZMLSXCIGQNOZ-QRMWWUJWSA-N 1 1 329.404 0.463 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001077492524 765538875 /nfs/dbraw/zinc/53/88/75/765538875.db2.gz OMZSOFPKUMBXJD-HUUCEWRRSA-N 1 1 329.404 0.697 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001053102143 765579451 /nfs/dbraw/zinc/57/94/51/765579451.db2.gz REZDOEGEGFFBFM-HUUCEWRRSA-N 1 1 346.431 0.265 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)CC[N@H+]1C ZINC001106092473 765583715 /nfs/dbraw/zinc/58/37/15/765583715.db2.gz GIVFJNDEBJWHIN-QEJZJMRPSA-N 1 1 331.420 0.573 20 30 ECEDMO NC(=O)C(=O)N[C@]12CCC[C@H]1[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000992140749 765639453 /nfs/dbraw/zinc/63/94/53/765639453.db2.gz BCWAKARYFJBCNN-QAPCUYQASA-N 1 1 329.375 0.776 20 30 ECEDMO NC(=O)C(=O)N[C@]12CCC[C@H]1[N@@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000992140749 765639456 /nfs/dbraw/zinc/63/94/56/765639456.db2.gz BCWAKARYFJBCNN-QAPCUYQASA-N 1 1 329.375 0.776 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2nc(C)c[nH]2)C1 ZINC000992147858 765663401 /nfs/dbraw/zinc/66/34/01/765663401.db2.gz UWTXPOGWVVSJAA-NRXISQOPSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2nc(C)c[nH]2)C1 ZINC000992147858 765663405 /nfs/dbraw/zinc/66/34/05/765663405.db2.gz UWTXPOGWVVSJAA-NRXISQOPSA-N 1 1 343.431 0.440 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001106103960 765746695 /nfs/dbraw/zinc/74/66/95/765746695.db2.gz FJJUVGMVIYNRED-DOMZBBRYSA-N 1 1 331.420 0.493 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCOC3(C[NH+](C[C@H]4CCCOC4)C3)C2)c1 ZINC001053207733 765764890 /nfs/dbraw/zinc/76/48/90/765764890.db2.gz FGZJKTQIHXGMSL-CQSZACIVSA-N 1 1 344.415 0.840 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCCN1C(=O)C#CC1CC1)[C@H]1CCC(=O)NC1=O ZINC001089175163 765782634 /nfs/dbraw/zinc/78/26/34/765782634.db2.gz RADGCTPPRHXCKZ-GJZGRUSLSA-N 1 1 331.416 0.518 20 30 ECEDMO N#Cc1cc(C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCCO4)C3)C2)c[nH]1 ZINC001053227007 765794638 /nfs/dbraw/zinc/79/46/38/765794638.db2.gz IMRYIJMWPDXLKZ-INIZCTEOSA-N 1 1 344.415 0.982 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001016137492 765832220 /nfs/dbraw/zinc/83/22/20/765832220.db2.gz UMAKNHHAGUGKJQ-TZMCWYRMSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001016137492 765832229 /nfs/dbraw/zinc/83/22/29/765832229.db2.gz UMAKNHHAGUGKJQ-TZMCWYRMSA-N 1 1 331.420 0.563 20 30 ECEDMO O=C(C#CC1CC1)N1CCOC2(C[NH+](C[C@@H]3CCNC(=O)CC3)C2)C1 ZINC001053250648 765841555 /nfs/dbraw/zinc/84/15/55/765841555.db2.gz QPQROVQXDRFQDT-INIZCTEOSA-N 1 1 345.443 0.229 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)CC)C[C@@H](C)O2 ZINC001111534615 768329232 /nfs/dbraw/zinc/32/92/32/768329232.db2.gz BMSKYOVHRUHCLJ-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)C[N@H+]2CCC[C@H]2C)n1 ZINC001106108592 765854998 /nfs/dbraw/zinc/85/49/98/765854998.db2.gz LJJKMMTZYXWCKZ-TZMCWYRMSA-N 1 1 346.435 0.284 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016183786 765879966 /nfs/dbraw/zinc/87/99/66/765879966.db2.gz GUUODQHZSRLKMX-HNNXBMFYSA-N 1 1 340.387 0.549 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016183786 765879972 /nfs/dbraw/zinc/87/99/72/765879972.db2.gz GUUODQHZSRLKMX-HNNXBMFYSA-N 1 1 340.387 0.549 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cnccn2)C1 ZINC000992206345 765890946 /nfs/dbraw/zinc/89/09/46/765890946.db2.gz INQTULOMDYTGOB-XUJLQICISA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cnccn2)C1 ZINC000992206345 765890953 /nfs/dbraw/zinc/89/09/53/765890953.db2.gz INQTULOMDYTGOB-XUJLQICISA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cc(F)c[nH]2)C1 ZINC000992207327 765898319 /nfs/dbraw/zinc/89/83/19/765898319.db2.gz LOKZPUCXSYESLB-PXCJXSSVSA-N 1 1 346.406 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cc(F)c[nH]2)C1 ZINC000992207327 765898327 /nfs/dbraw/zinc/89/83/27/765898327.db2.gz LOKZPUCXSYESLB-PXCJXSSVSA-N 1 1 346.406 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ncccn2)C1 ZINC000992208504 765903196 /nfs/dbraw/zinc/90/31/96/765903196.db2.gz PZTXZYPNZQPVTR-NRXISQOPSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ncccn2)C1 ZINC000992208504 765903200 /nfs/dbraw/zinc/90/32/00/765903200.db2.gz PZTXZYPNZQPVTR-NRXISQOPSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC001016294251 766056970 /nfs/dbraw/zinc/05/69/70/766056970.db2.gz SPPNOXJHIZSNOS-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC001016294251 766056977 /nfs/dbraw/zinc/05/69/77/766056977.db2.gz SPPNOXJHIZSNOS-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc(C)[nH]n2)C1 ZINC001016294251 766056985 /nfs/dbraw/zinc/05/69/85/766056985.db2.gz SPPNOXJHIZSNOS-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc(C)[nH]n2)C1 ZINC001016294251 766056992 /nfs/dbraw/zinc/05/69/92/766056992.db2.gz SPPNOXJHIZSNOS-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CCO2 ZINC001053395148 766077212 /nfs/dbraw/zinc/07/72/12/766077212.db2.gz VGJMFYJIVIOFDT-MRXNPFEDSA-N 1 1 342.443 0.690 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001016306152 766083413 /nfs/dbraw/zinc/08/34/13/766083413.db2.gz NNJGTXXRUICWIH-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001016306152 766083418 /nfs/dbraw/zinc/08/34/18/766083418.db2.gz NNJGTXXRUICWIH-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001053436009 766128352 /nfs/dbraw/zinc/12/83/52/766128352.db2.gz CJSVBPDUUOBFLN-GJZGRUSLSA-N 1 1 325.453 0.742 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001053437616 766133516 /nfs/dbraw/zinc/13/35/16/766133516.db2.gz YJLGWZDAGIMWLF-OAGGEKHMSA-N 1 1 336.432 0.527 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001016357139 766180641 /nfs/dbraw/zinc/18/06/41/766180641.db2.gz OKDCTKFRQCIZIU-DOTOQJQBSA-N 1 1 343.427 0.873 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001016357139 766180642 /nfs/dbraw/zinc/18/06/42/766180642.db2.gz OKDCTKFRQCIZIU-DOTOQJQBSA-N 1 1 343.427 0.873 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 ZINC000992301547 766199817 /nfs/dbraw/zinc/19/98/17/766199817.db2.gz ZXEFPWKKJHELMB-GDZNZVCISA-N 1 1 334.420 0.664 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)CCO2 ZINC001053486293 766220447 /nfs/dbraw/zinc/22/04/47/766220447.db2.gz VIEBMVSTZZOCKN-UHFFFAOYSA-N 1 1 332.404 0.607 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3nnnc3C(C)C)CCC[C@H]12 ZINC000992306821 766221870 /nfs/dbraw/zinc/22/18/70/766221870.db2.gz QPPGHQVKCDNOID-WMLDXEAASA-N 1 1 330.436 0.933 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016415095 766256342 /nfs/dbraw/zinc/25/63/42/766256342.db2.gz XCHJXLGOICXXHR-LMWSTFAQSA-N 1 1 329.404 0.557 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001106126770 766272842 /nfs/dbraw/zinc/27/28/42/766272842.db2.gz QTWSFBWZCKFQDV-CYBMUJFWSA-N 1 1 343.391 0.257 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2coc(C)n2)C1 ZINC001016436844 766299397 /nfs/dbraw/zinc/29/93/97/766299397.db2.gz FFTGLIMPILBPQX-XUJLQICISA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2coc(C)n2)C1 ZINC001016436844 766299398 /nfs/dbraw/zinc/29/93/98/766299398.db2.gz FFTGLIMPILBPQX-XUJLQICISA-N 1 1 344.415 0.800 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@H]12 ZINC000992333153 766310685 /nfs/dbraw/zinc/31/06/85/766310685.db2.gz BZEURQQEPCFNMF-DNGFJYGXSA-N 1 1 344.415 0.111 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ncccn2)C1 ZINC000992337879 766317970 /nfs/dbraw/zinc/31/79/70/766317970.db2.gz MUIODVDOLAEGNU-NRXISQOPSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ncccn2)C1 ZINC000992337879 766317978 /nfs/dbraw/zinc/31/79/78/766317978.db2.gz MUIODVDOLAEGNU-NRXISQOPSA-N 1 1 341.415 0.199 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992351291 766350978 /nfs/dbraw/zinc/35/09/78/766350978.db2.gz MRPKUMWALNCYDL-RDTXWAMCSA-N 1 1 344.415 0.875 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001045780617 766362093 /nfs/dbraw/zinc/36/20/93/766362093.db2.gz FFTDTJSQOWGMIS-QXSJWSMHSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnc3[nH]cnc31)O2 ZINC001053604525 766414178 /nfs/dbraw/zinc/41/41/78/766414178.db2.gz IMSTWNPPHSLMBP-CYBMUJFWSA-N 1 1 339.399 0.944 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)nn1 ZINC001045861597 766440867 /nfs/dbraw/zinc/44/08/67/766440867.db2.gz VYMTZHNUSLAPIA-IPYPFGDCSA-N 1 1 344.419 0.032 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3cncn3C1)O2 ZINC001053618928 766447277 /nfs/dbraw/zinc/44/72/77/766447277.db2.gz GIPQNUZQEQMIRQ-DOTOQJQBSA-N 1 1 342.443 0.818 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@H]12 ZINC000992387160 766450699 /nfs/dbraw/zinc/45/06/99/766450699.db2.gz ZYXUFDCDEMXVCD-SCLBCKFNSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045879867 766462022 /nfs/dbraw/zinc/46/20/22/766462022.db2.gz TWHRRGTXRGVGGN-CABCVRRESA-N 1 1 329.400 0.765 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)nc1 ZINC001045880286 766462767 /nfs/dbraw/zinc/46/27/67/766462767.db2.gz OWDLPSHZRVIVRG-CFVMTHIKSA-N 1 1 326.400 0.616 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(N)=O)nc1 ZINC001045880286 766462772 /nfs/dbraw/zinc/46/27/72/766462772.db2.gz OWDLPSHZRVIVRG-CFVMTHIKSA-N 1 1 326.400 0.616 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC[C@]2(CC[N@H+](CCS(C)(=O)=O)C2)C1 ZINC001045923982 766497196 /nfs/dbraw/zinc/49/71/96/766497196.db2.gz FQLPZOAWTYMKIO-GDBMZVCRSA-N 1 1 341.477 0.895 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC[C@]2(CC[N@@H+](CCS(C)(=O)=O)C2)C1 ZINC001045923982 766497204 /nfs/dbraw/zinc/49/72/04/766497204.db2.gz FQLPZOAWTYMKIO-GDBMZVCRSA-N 1 1 341.477 0.895 20 30 ECEDMO C#Cc1cncc(C(=O)NC2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)c1 ZINC001030928566 766498805 /nfs/dbraw/zinc/49/88/05/766498805.db2.gz YWLKFITZNBBNFZ-AWEZNQCLSA-N 1 1 326.400 0.393 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001045950463 766521456 /nfs/dbraw/zinc/52/14/56/766521456.db2.gz CGHYWDUHYCOELM-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001045950463 766521461 /nfs/dbraw/zinc/52/14/61/766521461.db2.gz CGHYWDUHYCOELM-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)O2 ZINC001053658309 766527956 /nfs/dbraw/zinc/52/79/56/766527956.db2.gz WRPRWSGEMSXOBC-DOTOQJQBSA-N 1 1 342.443 0.737 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nccn3ccnc13)O2 ZINC001053661376 766532196 /nfs/dbraw/zinc/53/21/96/766532196.db2.gz WPEFTDDNSHJNMQ-CQSZACIVSA-N 1 1 339.399 0.716 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H](C)C(N)=O)CC3)nc1 ZINC000992417537 766532576 /nfs/dbraw/zinc/53/25/76/766532576.db2.gz DMVGTGPKTSHMQQ-QITLCBANSA-N 1 1 326.400 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@@H](C)C(N)=O)CC3)nc1 ZINC000992417537 766532582 /nfs/dbraw/zinc/53/25/82/766532582.db2.gz DMVGTGPKTSHMQQ-QITLCBANSA-N 1 1 326.400 0.664 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNc1cnc(C#N)cn1 ZINC001053666071 766540756 /nfs/dbraw/zinc/54/07/56/766540756.db2.gz AKUGVAZVGKCCSZ-UMVBOHGHSA-N 1 1 328.420 0.949 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@]3(CC[N@H+](CCO)C3)C2)nn1 ZINC001045973060 766542408 /nfs/dbraw/zinc/54/24/08/766542408.db2.gz LXCQMMYCNFAHJH-QGZVFWFLSA-N 1 1 333.436 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001045983333 766554684 /nfs/dbraw/zinc/55/46/84/766554684.db2.gz MNVIKYVUZZSMEM-KSSFIOAISA-N 1 1 346.431 0.312 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1nccnc1C(N)=O)C2 ZINC001045984245 766556281 /nfs/dbraw/zinc/55/62/81/766556281.db2.gz YQCITUBISUPYAK-GOSISDBHSA-N 1 1 341.415 0.527 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001045985677 766557230 /nfs/dbraw/zinc/55/72/30/766557230.db2.gz ZRVJJVLEGLNZHX-MJGOQNOKSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3nncn3c1)O2 ZINC001053676327 766558973 /nfs/dbraw/zinc/55/89/73/766558973.db2.gz ZOENCFSHWTWOBS-OAHLLOKOSA-N 1 1 339.399 0.716 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC3(C[NH+](C[C@H](C)O)C3)O2)cn1 ZINC001053690084 766595751 /nfs/dbraw/zinc/59/57/51/766595751.db2.gz DSNRSXDYROESQF-BBRMVZONSA-N 1 1 329.400 0.407 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001212258129 766600760 /nfs/dbraw/zinc/60/07/60/766600760.db2.gz NOUHNZGBUSKHBM-JHJVBQTASA-N 1 1 334.363 0.122 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001212258129 766600764 /nfs/dbraw/zinc/60/07/64/766600764.db2.gz NOUHNZGBUSKHBM-JHJVBQTASA-N 1 1 334.363 0.122 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212258500 766608457 /nfs/dbraw/zinc/60/84/57/766608457.db2.gz UUCRGTOBALJNAA-BMGDILEWSA-N 1 1 341.411 0.912 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212258500 766608459 /nfs/dbraw/zinc/60/84/59/766608459.db2.gz UUCRGTOBALJNAA-BMGDILEWSA-N 1 1 341.411 0.912 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc(C)cn3)CC2)C1 ZINC001046007022 766618073 /nfs/dbraw/zinc/61/80/73/766618073.db2.gz YBOISPMVPIIPTD-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC(=O)N(C)C1)O2 ZINC001053701157 766622381 /nfs/dbraw/zinc/62/23/81/766622381.db2.gz NNJKHCQKPQBMAB-LSDHHAIUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@H]12 ZINC000992459741 766625348 /nfs/dbraw/zinc/62/53/48/766625348.db2.gz ARHSWGKASPWTHN-SUMWQHHRSA-N 1 1 332.404 0.017 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)on1 ZINC001046011543 766635440 /nfs/dbraw/zinc/63/54/40/766635440.db2.gz DPOFDFZTQRIROU-HIFRSBDPSA-N 1 1 331.420 0.861 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccn3)C2)CC1 ZINC001046011242 766636151 /nfs/dbraw/zinc/63/61/51/766636151.db2.gz AXSLMTLKAHLBGZ-RDJZCZTQSA-N 1 1 327.432 0.960 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cccc(=O)[nH]3)CC2)C1 ZINC001046015244 766648307 /nfs/dbraw/zinc/64/83/07/766648307.db2.gz NAAMCUUQKVATMU-OAHLLOKOSA-N 1 1 328.416 0.643 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046021193 766666187 /nfs/dbraw/zinc/66/61/87/766666187.db2.gz CKSQECQKGWPJQT-QGZVFWFLSA-N 1 1 325.416 0.742 20 30 ECEDMO COC[C@@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046021558 766666255 /nfs/dbraw/zinc/66/62/55/766666255.db2.gz JTQQAULWXFENGM-RHSMWYFYSA-N 1 1 345.447 0.753 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 ZINC001046024741 766676453 /nfs/dbraw/zinc/67/64/53/766676453.db2.gz QWFJFWKCFGRPEO-CQSZACIVSA-N 1 1 334.420 0.387 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992484060 766685974 /nfs/dbraw/zinc/68/59/74/766685974.db2.gz ZOPGHWJDJRGIRN-SUMWQHHRSA-N 1 1 330.388 0.236 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C)nn3)CC2)C1 ZINC001046027172 766686049 /nfs/dbraw/zinc/68/60/49/766686049.db2.gz IZIDSECBGGKXEB-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046027781 766686835 /nfs/dbraw/zinc/68/68/35/766686835.db2.gz ONVZJBDDPLKGTI-MRXNPFEDSA-N 1 1 349.866 0.990 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046027781 766686838 /nfs/dbraw/zinc/68/68/38/766686838.db2.gz ONVZJBDDPLKGTI-MRXNPFEDSA-N 1 1 349.866 0.990 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnnn3CC)CC2)C1 ZINC001046029300 766694103 /nfs/dbraw/zinc/69/41/03/766694103.db2.gz OSIJWCDXOYHTJZ-OAHLLOKOSA-N 1 1 332.452 0.706 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001046030270 766697057 /nfs/dbraw/zinc/69/70/57/766697057.db2.gz NGWKNEFIINEHKN-BZUAXINKSA-N 1 1 334.464 0.306 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cccn2C)C1 ZINC001016669799 766697675 /nfs/dbraw/zinc/69/76/75/766697675.db2.gz BYWCNJOFXZIOTB-DQPZFDDXSA-N 1 1 342.443 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cccn2C)C1 ZINC001016669799 766697677 /nfs/dbraw/zinc/69/76/77/766697677.db2.gz BYWCNJOFXZIOTB-DQPZFDDXSA-N 1 1 342.443 0.842 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c(Cl)cnn3C)CC2)C1 ZINC001046030633 766697995 /nfs/dbraw/zinc/69/79/95/766697995.db2.gz WPIRRMOCXKUKJX-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cnco2)C1 ZINC001016670411 766699111 /nfs/dbraw/zinc/69/91/11/766699111.db2.gz OANQESOGYYTVIA-RUXDESIVSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cnco2)C1 ZINC001016670411 766699116 /nfs/dbraw/zinc/69/91/16/766699116.db2.gz OANQESOGYYTVIA-RUXDESIVSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2CC)C1 ZINC000994753535 766710929 /nfs/dbraw/zinc/71/09/29/766710929.db2.gz HZZSGHGKVKOFAN-INIZCTEOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2CC)C1 ZINC000994753535 766710932 /nfs/dbraw/zinc/71/09/32/766710932.db2.gz HZZSGHGKVKOFAN-INIZCTEOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC000994753476 766711359 /nfs/dbraw/zinc/71/13/59/766711359.db2.gz GPVRRNOXXKLFNJ-IKGGRYGDSA-N 1 1 345.443 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC000994753476 766711363 /nfs/dbraw/zinc/71/13/63/766711363.db2.gz GPVRRNOXXKLFNJ-IKGGRYGDSA-N 1 1 345.443 0.392 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2O)C1 ZINC001083763491 766715052 /nfs/dbraw/zinc/71/50/52/766715052.db2.gz NAMQIMHNLYYMQH-ZNMIVQPWSA-N 1 1 335.448 0.420 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH]cn3)CC2)C1 ZINC001046034720 766716298 /nfs/dbraw/zinc/71/62/98/766716298.db2.gz YLQIARBCZKTWAR-KRWDZBQOSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cnc[nH]3)CC2)C1 ZINC001046034720 766716304 /nfs/dbraw/zinc/71/63/04/766716304.db2.gz YLQIARBCZKTWAR-KRWDZBQOSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnc[nH]3)CC2)C1 ZINC001046034720 766716309 /nfs/dbraw/zinc/71/63/09/766716309.db2.gz YLQIARBCZKTWAR-KRWDZBQOSA-N 1 1 329.448 0.584 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 ZINC001046035154 766718536 /nfs/dbraw/zinc/71/85/36/766718536.db2.gz FTICZMXKFPRTCP-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046035382 766719882 /nfs/dbraw/zinc/71/98/82/766719882.db2.gz KNYVZYGQLQNICL-IRXDYDNUSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc4ccnn43)CC2)C1 ZINC001046035642 766722434 /nfs/dbraw/zinc/72/24/34/766722434.db2.gz RFRPWPIEAJZKIP-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cc3nc(C4CC4)nn3C)CCC[C@H]12 ZINC000992501365 766725410 /nfs/dbraw/zinc/72/54/10/766725410.db2.gz YDCDUEIWRNTDHY-KBXCAEBGSA-N 1 1 327.432 0.981 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046039072 766740385 /nfs/dbraw/zinc/74/03/85/766740385.db2.gz RDFBYOYCLTYUJQ-APWZRJJASA-N 1 1 346.475 0.145 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046039514 766742696 /nfs/dbraw/zinc/74/26/96/766742696.db2.gz ZQGRDQMMPXHVHT-QFBILLFUSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3snnc3CC)CC2)C1 ZINC001046041182 766750611 /nfs/dbraw/zinc/75/06/11/766750611.db2.gz FLFBZTUKKJJHSY-AWEZNQCLSA-N 1 1 347.488 0.956 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC001046042254 766755399 /nfs/dbraw/zinc/75/53/99/766755399.db2.gz SMAVLMRWUXJIGF-ROUUACIJSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]nc3CCC)CC2)C1 ZINC001046043030 766759217 /nfs/dbraw/zinc/75/92/17/766759217.db2.gz RSLMRSUDONQSCM-OAHLLOKOSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1OC ZINC001212264764 766760965 /nfs/dbraw/zinc/76/09/65/766760965.db2.gz RAPBRBLRVCUACX-ARFHVFGLSA-N 1 1 326.437 0.657 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046045286 766769855 /nfs/dbraw/zinc/76/98/55/766769855.db2.gz VSKYTFMLHCFRMU-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1 ZINC001046048236 766780644 /nfs/dbraw/zinc/78/06/44/766780644.db2.gz SXFMLVWYSNYDQN-GVDBMIGSSA-N 1 1 341.459 0.375 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)C1 ZINC001046049862 766784170 /nfs/dbraw/zinc/78/41/70/766784170.db2.gz YWMCGQICBPXAJV-QGZVFWFLSA-N 1 1 343.475 0.892 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nn(C)c3Cl)CC2)C1 ZINC001046049874 766784249 /nfs/dbraw/zinc/78/42/49/766784249.db2.gz ZDPMDZKMWNIRNR-CQSZACIVSA-N 1 1 349.866 0.847 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3n[nH]nc3C)CC2)C1 ZINC001046051180 766790438 /nfs/dbraw/zinc/79/04/38/766790438.db2.gz XXXVQVNYWYLREA-CYBMUJFWSA-N 1 1 338.843 0.698 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3n[nH]nc3C)CC2)C1 ZINC001046051180 766790443 /nfs/dbraw/zinc/79/04/43/766790443.db2.gz XXXVQVNYWYLREA-CYBMUJFWSA-N 1 1 338.843 0.698 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001046051647 766792568 /nfs/dbraw/zinc/79/25/68/766792568.db2.gz MBQKHJSOPKCSJH-CVEARBPZSA-N 1 1 348.491 0.696 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1 ZINC001046052215 766793412 /nfs/dbraw/zinc/79/34/12/766793412.db2.gz VLUWVWDWNJHGGF-OAHLLOKOSA-N 1 1 347.463 0.924 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@H]12 ZINC000992531342 766793624 /nfs/dbraw/zinc/79/36/24/766793624.db2.gz VFTKGTIZESRGOH-XJKSGUPXSA-N 1 1 332.408 0.066 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046059428 766821882 /nfs/dbraw/zinc/82/18/82/766821882.db2.gz GZFRXXCVYRAONB-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nnn(CC)c3CC)CC2)C1 ZINC001046061333 766829676 /nfs/dbraw/zinc/82/96/76/766829676.db2.gz MFUIHXOAWYNALR-OAHLLOKOSA-N 1 1 344.463 0.326 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cn[nH]n3)CC2)C1 ZINC001046062362 766834153 /nfs/dbraw/zinc/83/41/53/766834153.db2.gz FZQIHWATLHLYKI-KRWDZBQOSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001046062362 766834162 /nfs/dbraw/zinc/83/41/62/766834162.db2.gz FZQIHWATLHLYKI-KRWDZBQOSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001046062362 766834171 /nfs/dbraw/zinc/83/41/71/766834171.db2.gz FZQIHWATLHLYKI-KRWDZBQOSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001046062362 766834182 /nfs/dbraw/zinc/83/41/82/766834182.db2.gz FZQIHWATLHLYKI-KRWDZBQOSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001046062362 766834192 /nfs/dbraw/zinc/83/41/92/766834192.db2.gz FZQIHWATLHLYKI-KRWDZBQOSA-N 1 1 346.479 0.922 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN([C@@H]3CC[N@H+](CCOC)C3)CC2)c1 ZINC001046062921 766835370 /nfs/dbraw/zinc/83/53/70/766835370.db2.gz WSGZCCGLFKYEHV-GOSISDBHSA-N 1 1 342.443 0.541 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)C1 ZINC001046065609 766848559 /nfs/dbraw/zinc/84/85/59/766848559.db2.gz BLXVYUYGGWDHFI-QGZVFWFLSA-N 1 1 341.459 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3scnc3COC)CC2)C1 ZINC001046068061 766860371 /nfs/dbraw/zinc/86/03/71/766860371.db2.gz BYACHKOGMLWIPL-CQSZACIVSA-N 1 1 348.472 0.755 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cscn3)CC2)C1 ZINC001046068008 766861285 /nfs/dbraw/zinc/86/12/85/766861285.db2.gz ALDHJVAHCQLXLS-INIZCTEOSA-N 1 1 332.473 0.927 20 30 ECEDMO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001089650981 766875179 /nfs/dbraw/zinc/87/51/79/766875179.db2.gz JTLAKICAXPEAMS-GFCCVEGCSA-N 1 1 327.392 0.884 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)CC2)C1 ZINC001046070859 766875960 /nfs/dbraw/zinc/87/59/60/766875960.db2.gz CLGSKMVPFFICOX-YOEHRIQHSA-N 1 1 343.475 0.982 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)COc3cccnc3)CC2)C1 ZINC001046072062 766879694 /nfs/dbraw/zinc/87/96/94/766879694.db2.gz QKWVKRSUGJQXCG-MRXNPFEDSA-N 1 1 330.432 0.865 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)nn3C)CC2)C1 ZINC001046073444 766885958 /nfs/dbraw/zinc/88/59/58/766885958.db2.gz FPHNSVYNRPOPPH-MRXNPFEDSA-N 1 1 329.448 0.448 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CC)nn3)CC2)C1 ZINC001046074388 766890035 /nfs/dbraw/zinc/89/00/35/766890035.db2.gz ACDQABURHIDJHP-HNNXBMFYSA-N 1 1 330.436 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)CCOC)CC1 ZINC001060754362 766891066 /nfs/dbraw/zinc/89/10/66/766891066.db2.gz NQKVOCHQKDAITO-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)CCOC)CC1 ZINC001060754362 766891074 /nfs/dbraw/zinc/89/10/74/766891074.db2.gz NQKVOCHQKDAITO-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H](C)N3CCCC3=O)CC2)C1 ZINC001046076316 766902829 /nfs/dbraw/zinc/90/28/29/766902829.db2.gz LSPIRHBZKUVZEI-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC001046076513 766903724 /nfs/dbraw/zinc/90/37/24/766903724.db2.gz NNTMGVIRJVAOIV-LSDHHAIUSA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)CC2)C1 ZINC001046076513 766903729 /nfs/dbraw/zinc/90/37/29/766903729.db2.gz NNTMGVIRJVAOIV-LSDHHAIUSA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)CC2)C1 ZINC001046076513 766903736 /nfs/dbraw/zinc/90/37/36/766903736.db2.gz NNTMGVIRJVAOIV-LSDHHAIUSA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)CC2)C1 ZINC001046076513 766903744 /nfs/dbraw/zinc/90/37/44/766903744.db2.gz NNTMGVIRJVAOIV-LSDHHAIUSA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)CC2)C1 ZINC001046076513 766903751 /nfs/dbraw/zinc/90/37/51/766903751.db2.gz NNTMGVIRJVAOIV-LSDHHAIUSA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC001046081623 766919107 /nfs/dbraw/zinc/91/91/07/766919107.db2.gz NBERVUYUAAISDF-AWEZNQCLSA-N 1 1 333.436 0.447 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nn(C)c3F)CC2)C1 ZINC001046082697 766921783 /nfs/dbraw/zinc/92/17/83/766921783.db2.gz ZPYGCNUVCOVELU-CQSZACIVSA-N 1 1 333.411 0.333 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)C1 ZINC001046082665 766921967 /nfs/dbraw/zinc/92/19/67/766921967.db2.gz VEGRKWYHAMGIKN-GOSISDBHSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC001046083088 766922798 /nfs/dbraw/zinc/92/27/98/766922798.db2.gz LDQNOLKXTGOQNG-OAHLLOKOSA-N 1 1 345.447 0.189 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn(C)c3)CC2)C1 ZINC001046085605 766927230 /nfs/dbraw/zinc/92/72/30/766927230.db2.gz HCTJTGAHJJOSPS-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(N(C)C)ccn3)CC2)C1 ZINC001046085436 766927622 /nfs/dbraw/zinc/92/76/22/766927622.db2.gz OFQBOIXDOKHSLD-QGZVFWFLSA-N 1 1 341.459 0.613 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn(C)c3)CC2)C1 ZINC001046085954 766928251 /nfs/dbraw/zinc/92/82/51/766928251.db2.gz KRYVXQFHFLPIDK-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046086078 766928301 /nfs/dbraw/zinc/92/83/01/766928301.db2.gz SXVKSLFJWRSLNE-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cscn3)CC2)C1 ZINC001046086778 766929641 /nfs/dbraw/zinc/92/96/41/766929641.db2.gz YYTWPRQKTLJJJG-INIZCTEOSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)n(C)n3)CC2)C1 ZINC001046089143 766930947 /nfs/dbraw/zinc/93/09/47/766930947.db2.gz ZZESSPOIUQRHEQ-KRWDZBQOSA-N 1 1 343.475 0.838 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)nn1 ZINC001098779595 766949117 /nfs/dbraw/zinc/94/91/17/766949117.db2.gz ILADVRMXDNFMPP-GOEBONIOSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 ZINC001078266837 782591896 /nfs/dbraw/zinc/59/18/96/782591896.db2.gz HAANVXJFQCSAMX-FVQBIDKESA-N 1 1 327.384 0.297 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2c3ccccc3NC2=O)C1 ZINC001078266756 782591981 /nfs/dbraw/zinc/59/19/81/782591981.db2.gz BOTLJMSRRKLECQ-NUEKZKHPSA-N 1 1 329.400 0.850 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3C)C[C@@H]2O)c1 ZINC001083764941 766998668 /nfs/dbraw/zinc/99/86/68/766998668.db2.gz FOJZMERLGUTJHL-MSOLQXFVSA-N 1 1 336.395 0.741 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@@H]2O)c1 ZINC001083764941 766998674 /nfs/dbraw/zinc/99/86/74/766998674.db2.gz FOJZMERLGUTJHL-MSOLQXFVSA-N 1 1 336.395 0.741 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2O)c1 ZINC001083765038 767000324 /nfs/dbraw/zinc/00/03/24/767000324.db2.gz KLBCHGOGFDVJHY-UAGQMJEPSA-N 1 1 329.400 0.264 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001046177747 767023900 /nfs/dbraw/zinc/02/39/00/767023900.db2.gz MLFDUVVCVXVTLI-RDTXWAMCSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001046177747 767023910 /nfs/dbraw/zinc/02/39/10/767023910.db2.gz MLFDUVVCVXVTLI-RDTXWAMCSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ncoc3C)C2)C1=O ZINC001046177711 767024516 /nfs/dbraw/zinc/02/45/16/767024516.db2.gz LNOIOIACTSODOQ-CXAGYDPISA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ncoc3C)C2)C1=O ZINC001046177711 767024525 /nfs/dbraw/zinc/02/45/25/767024525.db2.gz LNOIOIACTSODOQ-CXAGYDPISA-N 1 1 332.404 0.964 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001089694858 767073452 /nfs/dbraw/zinc/07/34/52/767073452.db2.gz ZNKDEXXSOXFAMR-OAGGEKHMSA-N 1 1 349.475 0.862 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)cc1 ZINC001083709561 767103644 /nfs/dbraw/zinc/10/36/44/767103644.db2.gz VWDVYIPXVMTSBT-ALYAQQCSSA-N 1 1 327.384 0.112 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)cc1 ZINC001083709561 767103649 /nfs/dbraw/zinc/10/36/49/767103649.db2.gz VWDVYIPXVMTSBT-ALYAQQCSSA-N 1 1 327.384 0.112 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cn(C)cn3)C2)C1=O ZINC001046240348 767104458 /nfs/dbraw/zinc/10/44/58/767104458.db2.gz ABBLBXJIECFJGU-YOEHRIQHSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cn(C)cn3)C2)C1=O ZINC001046240348 767104459 /nfs/dbraw/zinc/10/44/59/767104459.db2.gz ABBLBXJIECFJGU-YOEHRIQHSA-N 1 1 331.420 0.401 20 30 ECEDMO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001046249091 767108726 /nfs/dbraw/zinc/10/87/26/767108726.db2.gz VGFZNWQIXPWJNF-FZKQIMNGSA-N 1 1 343.431 0.997 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2nc(C)ccc2C#N)CC[N@H+]1C ZINC001106141733 767111265 /nfs/dbraw/zinc/11/12/65/767111265.db2.gz HHNPRVBZSSRTPC-OWCLPIDISA-N 1 1 345.447 0.881 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001089730409 767133980 /nfs/dbraw/zinc/13/39/80/767133980.db2.gz ZWWKRLVQUHBJNF-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001089732343 767135822 /nfs/dbraw/zinc/13/58/22/767135822.db2.gz SRQJXYFMNXWXGC-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cncn1 ZINC001089764628 767147926 /nfs/dbraw/zinc/14/79/26/767147926.db2.gz QYMDWOGUUZZKBC-NXOAAHMSSA-N 1 1 327.432 0.860 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1ccnc(C#N)n1 ZINC001089771474 767155896 /nfs/dbraw/zinc/15/58/96/767155896.db2.gz TYOKPSHOWPRTPL-CABCVRRESA-N 1 1 340.431 0.777 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1ccnc(C#N)n1 ZINC001089771474 767155897 /nfs/dbraw/zinc/15/58/97/767155897.db2.gz TYOKPSHOWPRTPL-CABCVRRESA-N 1 1 340.431 0.777 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001046395018 767193012 /nfs/dbraw/zinc/19/30/12/767193012.db2.gz ZKRSPOQJGLJYEU-RDTXWAMCSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001046395018 767193015 /nfs/dbraw/zinc/19/30/15/767193015.db2.gz ZKRSPOQJGLJYEU-RDTXWAMCSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@H](OC)C1 ZINC001212309067 767199844 /nfs/dbraw/zinc/19/98/44/767199844.db2.gz MEKYQMCUGOTNPB-BFHYXJOUSA-N 1 1 347.481 0.096 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001212316482 767207516 /nfs/dbraw/zinc/20/75/16/767207516.db2.gz QWWSTWODMKVGHY-NWANDNLSSA-N 1 1 333.388 0.237 20 30 ECEDMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001089795923 767220766 /nfs/dbraw/zinc/22/07/66/767220766.db2.gz QYHYRODVIGUQAM-DDWPSWQVSA-N 1 1 341.415 0.415 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CN(C(C)=O)C1 ZINC001089797374 767221920 /nfs/dbraw/zinc/22/19/20/767221920.db2.gz NATVHFIZHIFXQC-RANZSIQMSA-N 1 1 329.444 0.657 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1ccnn1 ZINC001089798116 767222430 /nfs/dbraw/zinc/22/24/30/767222430.db2.gz RIWYTWIOFSGMRN-YVSFHVDLSA-N 1 1 327.432 0.860 20 30 ECEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001046443528 767227297 /nfs/dbraw/zinc/22/72/97/767227297.db2.gz GMCDBPSRYRKGGA-SFHVURJKSA-N 1 1 331.416 0.712 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001046446126 767230584 /nfs/dbraw/zinc/23/05/84/767230584.db2.gz NGFUXMMTJBDEOP-CQSZACIVSA-N 1 1 325.390 0.145 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001046446126 767230585 /nfs/dbraw/zinc/23/05/85/767230585.db2.gz NGFUXMMTJBDEOP-CQSZACIVSA-N 1 1 325.390 0.145 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046535302 767286110 /nfs/dbraw/zinc/28/61/10/767286110.db2.gz GHIAGDQPFVGTCY-ZIAGYGMSSA-N 1 1 325.453 0.476 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046539420 767290535 /nfs/dbraw/zinc/29/05/35/767290535.db2.gz PSNDLUWMCBXBPQ-APWZRJJASA-N 1 1 343.402 0.894 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046539420 767290536 /nfs/dbraw/zinc/29/05/36/767290536.db2.gz PSNDLUWMCBXBPQ-APWZRJJASA-N 1 1 343.402 0.894 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001046550712 767298910 /nfs/dbraw/zinc/29/89/10/767298910.db2.gz FNOUJZPQFRCMCP-ZQDZILKHSA-N 1 1 342.447 0.807 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)n1 ZINC000992684234 767302964 /nfs/dbraw/zinc/30/29/64/767302964.db2.gz ZKRQZGZGZLRIQY-QLFBSQMISA-N 1 1 328.420 0.340 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)CCC(=O)NC1)CO2 ZINC001053902413 767304623 /nfs/dbraw/zinc/30/46/23/767304623.db2.gz CDBNATLAIYJMBR-WMLDXEAASA-N 1 1 335.448 0.828 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(COC)o3)C2)C1=O ZINC001031830459 767311534 /nfs/dbraw/zinc/31/15/34/767311534.db2.gz CRDDVQBCRXNLHJ-OAHLLOKOSA-N 1 1 347.415 0.875 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCc3nn[nH]c31)CO2 ZINC001053908188 767328199 /nfs/dbraw/zinc/32/81/99/767328199.db2.gz MEXPUBAMDPJEDJ-OLZOCXBDSA-N 1 1 331.420 0.760 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046589283 767339923 /nfs/dbraw/zinc/33/99/23/767339923.db2.gz UONVCHOHEVSHFP-RHSMWYFYSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046589283 767339930 /nfs/dbraw/zinc/33/99/30/767339930.db2.gz UONVCHOHEVSHFP-RHSMWYFYSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046589469 767341202 /nfs/dbraw/zinc/34/12/02/767341202.db2.gz VTRZBCYTYYVIIC-PBHICJAKSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046589469 767341208 /nfs/dbraw/zinc/34/12/08/767341208.db2.gz VTRZBCYTYYVIIC-PBHICJAKSA-N 1 1 345.378 0.459 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn(C)c(=O)c1 ZINC001089825511 767348064 /nfs/dbraw/zinc/34/80/64/767348064.db2.gz CFTVVVGNGFXMAI-HZMVEIRTSA-N 1 1 325.412 0.801 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001106147254 767370441 /nfs/dbraw/zinc/37/04/41/767370441.db2.gz MNVGOZXPTNHKEW-OCCSQVGLSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CCN1CC2(C1)C[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)CO2 ZINC001053925988 767379667 /nfs/dbraw/zinc/37/96/67/767379667.db2.gz TWLVMXASJDXQHX-KSSFIOAISA-N 1 1 337.439 0.792 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCCNC2=O)C1 ZINC001089830161 767384734 /nfs/dbraw/zinc/38/47/34/767384734.db2.gz AUKWYFMUQMVTOR-VGWMRTNUSA-N 1 1 332.448 0.757 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001106153337 767387562 /nfs/dbraw/zinc/38/75/62/767387562.db2.gz YCSKKUCIMIITQG-KWCYVHTRSA-N 1 1 346.435 0.140 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)ncc1C ZINC001106155165 767392713 /nfs/dbraw/zinc/39/27/13/767392713.db2.gz VVKDBFWLWZIQSN-GJZGRUSLSA-N 1 1 331.420 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)ncc1C ZINC001106155165 767392722 /nfs/dbraw/zinc/39/27/22/767392722.db2.gz VVKDBFWLWZIQSN-GJZGRUSLSA-N 1 1 331.420 0.080 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCCNC2=O)C1 ZINC001089832720 767397897 /nfs/dbraw/zinc/39/78/97/767397897.db2.gz YCXSNSPECXUXFO-QAETUUGQSA-N 1 1 344.459 0.594 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001106157879 767422106 /nfs/dbraw/zinc/42/21/06/767422106.db2.gz LGMMSGKNPPOZCZ-KGLIPLIRSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccnc(OC)n1 ZINC001089836917 767432384 /nfs/dbraw/zinc/43/23/84/767432384.db2.gz WEXZQUXBLHTSKI-FQLMCAECSA-N 1 1 326.400 0.901 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001046672025 767453778 /nfs/dbraw/zinc/45/37/78/767453778.db2.gz PITHSOTVCFYACL-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(=O)n(CC)n1)CO2 ZINC001053960096 767458424 /nfs/dbraw/zinc/45/84/24/767458424.db2.gz OFXNOOPNHJPNPU-ZDUSSCGKSA-N 1 1 332.404 0.412 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001046685490 767481177 /nfs/dbraw/zinc/48/11/77/767481177.db2.gz UMUAMSQQGCFSSD-CQSZACIVSA-N 1 1 337.464 0.620 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001106170931 767483170 /nfs/dbraw/zinc/48/31/70/767483170.db2.gz ZCHMAQWFCTYTQI-CABCVRRESA-N 1 1 346.435 0.358 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CCn3cncn3)C2)nn1 ZINC001046689156 767486153 /nfs/dbraw/zinc/48/61/53/767486153.db2.gz GOIVMRPFCOVBGA-INIZCTEOSA-N 1 1 344.423 0.340 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1nc(C3CC3)nn1C)CO2 ZINC001054014917 767601732 /nfs/dbraw/zinc/60/17/32/767601732.db2.gz UUQGVMIXNMBJLZ-CQSZACIVSA-N 1 1 345.447 0.771 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N(C)C1)CO2 ZINC001054018174 767610806 /nfs/dbraw/zinc/61/08/06/767610806.db2.gz YHZCVPPHZLPSCA-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)C#CC2CC2)C1)[C@H]1CCC(=O)NC1=O ZINC001017127325 767629313 /nfs/dbraw/zinc/62/93/13/767629313.db2.gz NGJUFRQHDYYCPO-CABCVRRESA-N 1 1 331.416 0.375 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001054058975 767655785 /nfs/dbraw/zinc/65/57/85/767655785.db2.gz CIDJEXSWEDBLBP-MOPGFXCFSA-N 1 1 341.455 0.883 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001054058975 767655791 /nfs/dbraw/zinc/65/57/91/767655791.db2.gz CIDJEXSWEDBLBP-MOPGFXCFSA-N 1 1 341.455 0.883 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001060476392 767686737 /nfs/dbraw/zinc/68/67/37/767686737.db2.gz KKSCMOUQIUIZOO-FGYQQCIJSA-N 1 1 325.416 0.702 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001054111734 767701604 /nfs/dbraw/zinc/70/16/04/767701604.db2.gz BLNWKRDVBDJLAB-UGSOOPFHSA-N 1 1 343.431 0.949 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001054130461 767725308 /nfs/dbraw/zinc/72/53/08/767725308.db2.gz QFJLKMPNPHJFDY-LJQANCHMSA-N 1 1 344.459 0.740 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCN1C(=O)CCC1=O)C2 ZINC001054162065 767760971 /nfs/dbraw/zinc/76/09/71/767760971.db2.gz WCBCZTLLKCOPSL-SFHVURJKSA-N 1 1 331.416 0.473 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001054227599 767835877 /nfs/dbraw/zinc/83/58/77/767835877.db2.gz PKCRVHIRMIXXQK-SFHVURJKSA-N 1 1 346.431 0.218 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001054236656 767845899 /nfs/dbraw/zinc/84/58/99/767845899.db2.gz LQOXBXZPSOJPPG-KSSFIOAISA-N 1 1 348.447 0.865 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 ZINC001054903440 768404745 /nfs/dbraw/zinc/40/47/45/768404745.db2.gz NAPSUMFGKJOPIO-CBBWQLFWSA-N 1 1 326.404 0.668 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001106642251 768545876 /nfs/dbraw/zinc/54/58/76/768545876.db2.gz KYQBEQYLNRFADK-NJZAAPMLSA-N 1 1 346.435 0.683 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001106642251 768545880 /nfs/dbraw/zinc/54/58/80/768545880.db2.gz KYQBEQYLNRFADK-NJZAAPMLSA-N 1 1 346.435 0.683 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)C1 ZINC001055064792 768552404 /nfs/dbraw/zinc/55/24/04/768552404.db2.gz UUNCHCJSYAQJLA-OJLVUWQFSA-N 1 1 340.431 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)COCCC)C[C@@H]2C1 ZINC001055221043 768678386 /nfs/dbraw/zinc/67/83/86/768678386.db2.gz IKUBCDICMDXCTR-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)COCCC)C[C@@H]2C1 ZINC001055221043 768678392 /nfs/dbraw/zinc/67/83/92/768678392.db2.gz IKUBCDICMDXCTR-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001055312657 768766864 /nfs/dbraw/zinc/76/68/64/768766864.db2.gz NPKMFERXMNPUQT-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001055312657 768766868 /nfs/dbraw/zinc/76/68/68/768766868.db2.gz NPKMFERXMNPUQT-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001055313270 768768806 /nfs/dbraw/zinc/76/88/06/768768806.db2.gz JHFIARAMKMEXSI-RVKKMQEKSA-N 1 1 337.464 0.572 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001055339246 768796049 /nfs/dbraw/zinc/79/60/49/768796049.db2.gz AJHVTQLIWAIFGG-VQHPVUNQSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055340177 768797354 /nfs/dbraw/zinc/79/73/54/768797354.db2.gz OHWPSMWKQWGYOP-OVYGPGRDSA-N 1 1 347.459 0.282 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001055378500 768833540 /nfs/dbraw/zinc/83/35/40/768833540.db2.gz OOSCCPOTNQQTBG-IYBDPMFKSA-N 1 1 337.464 0.838 20 30 ECEDMO CC[C@@H](SC)C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055562381 769120401 /nfs/dbraw/zinc/12/04/01/769120401.db2.gz YIYOWNNCXWPYCV-TZMCWYRMSA-N 1 1 340.493 0.984 20 30 ECEDMO CC[C@@H](SC)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055562377 769120647 /nfs/dbraw/zinc/12/06/47/769120647.db2.gz YIYOWNNCXWPYCV-GXTWGEPZSA-N 1 1 340.493 0.984 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccon3)C2)CC1 ZINC001018359501 769189883 /nfs/dbraw/zinc/18/98/83/769189883.db2.gz HUIQHMRGGMKPPC-HNNXBMFYSA-N 1 1 344.415 0.694 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC001018362583 769199395 /nfs/dbraw/zinc/19/93/95/769199395.db2.gz GEEABNWUBAJBQH-GJZGRUSLSA-N 1 1 338.427 0.888 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001055595949 769213189 /nfs/dbraw/zinc/21/31/89/769213189.db2.gz LLWMUJIOUVZFHK-CQSZACIVSA-N 1 1 349.479 0.185 20 30 ECEDMO C=C1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000993571578 769269023 /nfs/dbraw/zinc/26/90/23/769269023.db2.gz TYXMGTYNKIGPIP-IRXDYDNUSA-N 1 1 347.459 0.923 20 30 ECEDMO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622341 769277566 /nfs/dbraw/zinc/27/75/66/769277566.db2.gz FZUKOUCWOOYLBL-UHFFFAOYSA-N 1 1 335.408 0.592 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001055632224 769307805 /nfs/dbraw/zinc/30/78/05/769307805.db2.gz QUHUONORJIJBEF-CZUORRHYSA-N 1 1 349.479 0.183 20 30 ECEDMO CCc1nocc1C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055639204 769322519 /nfs/dbraw/zinc/32/25/19/769322519.db2.gz IIOUJERFVYVKPU-GFCCVEGCSA-N 1 1 347.419 0.707 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000993569940 769335525 /nfs/dbraw/zinc/33/55/25/769335525.db2.gz OGMGXTARDXGMIV-GJZGRUSLSA-N 1 1 333.432 0.533 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H]1C ZINC000993620495 769372158 /nfs/dbraw/zinc/37/21/58/769372158.db2.gz JCAWEGUEDPHQRT-STQMWFEESA-N 1 1 327.388 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H]1C ZINC000993620495 769372171 /nfs/dbraw/zinc/37/21/71/769372171.db2.gz JCAWEGUEDPHQRT-STQMWFEESA-N 1 1 327.388 0.547 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001018623029 769664680 /nfs/dbraw/zinc/66/46/80/769664680.db2.gz WOSFBKCRNCZABJ-LSDHHAIUSA-N 1 1 330.363 0.666 20 30 ECEDMO Cn1nc(C2CC2)nc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001018747390 769859322 /nfs/dbraw/zinc/85/93/22/769859322.db2.gz CXOOVNKFMQZISX-ZDUSSCGKSA-N 1 1 339.403 0.897 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C ZINC000993909584 769866542 /nfs/dbraw/zinc/86/65/42/769866542.db2.gz WVJLBQXTYSNNAU-JSGCOSHPSA-N 1 1 334.420 0.243 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CCC=C)C1 ZINC001055825848 769868376 /nfs/dbraw/zinc/86/83/76/769868376.db2.gz QVABBVMJCHVCKO-QFBILLFUSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CCC=C)C1 ZINC001055825848 769868390 /nfs/dbraw/zinc/86/83/90/769868390.db2.gz QVABBVMJCHVCKO-QFBILLFUSA-N 1 1 347.459 0.520 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000993915145 769875005 /nfs/dbraw/zinc/87/50/05/769875005.db2.gz UWOKJVSUWJAISQ-XNRPHZJLSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)[C@H]2C)nn1 ZINC000993955790 769887423 /nfs/dbraw/zinc/88/74/23/769887423.db2.gz XIWUJJQBASUQQN-UONOGXRCSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@H]2C)nn1 ZINC000993955790 769887433 /nfs/dbraw/zinc/88/74/33/769887433.db2.gz XIWUJJQBASUQQN-UONOGXRCSA-N 1 1 346.435 0.279 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)c[nH]1 ZINC000993950599 769934538 /nfs/dbraw/zinc/93/45/38/769934538.db2.gz HRGIZGBLGFRRPW-CQSZACIVSA-N 1 1 338.371 0.601 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H]1C ZINC000994010059 770004254 /nfs/dbraw/zinc/00/42/54/770004254.db2.gz RQHDFXNXXTVIBV-UKRRQHHQSA-N 1 1 341.415 0.937 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001042116002 782797322 /nfs/dbraw/zinc/79/73/22/782797322.db2.gz FILOUHYOCYEOOZ-WBVHZDCISA-N 1 1 340.427 0.669 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@H]21 ZINC001042120154 782804250 /nfs/dbraw/zinc/80/42/50/782804250.db2.gz PHSVWGAJMHLFJH-DGCLKSJQSA-N 1 1 339.417 0.649 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]21 ZINC001042123596 782808587 /nfs/dbraw/zinc/80/85/87/782808587.db2.gz TWYAZKQMXXAIIL-CABCVRRESA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001055910222 770178191 /nfs/dbraw/zinc/17/81/91/770178191.db2.gz JNBAEQDPIDMSRT-LPHOPBHVSA-N 1 1 349.475 0.744 20 30 ECEDMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCCO2)n1 ZINC001078382907 782817884 /nfs/dbraw/zinc/81/78/84/782817884.db2.gz UBQFICJICAMTSY-AWEZNQCLSA-N 1 1 343.391 0.036 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnon3)C2)[nH]1 ZINC001078382911 782818196 /nfs/dbraw/zinc/81/81/96/782818196.db2.gz UHVNKOOCPBSWCB-CYBMUJFWSA-N 1 1 330.348 0.290 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCc3cn(C)nn3)C2)nn1 ZINC001098797238 770402541 /nfs/dbraw/zinc/40/25/41/770402541.db2.gz PYHZKRHPUZWWIY-OAHLLOKOSA-N 1 1 344.423 0.088 20 30 ECEDMO CC(C)(C#N)CS(=O)(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000916149710 770418439 /nfs/dbraw/zinc/41/84/39/770418439.db2.gz NAMQPKCFTKDROZ-CYBMUJFWSA-N 1 1 342.465 0.152 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@@H]21 ZINC001042141959 782843468 /nfs/dbraw/zinc/84/34/68/782843468.db2.gz ITZOIYGERWKLOM-RDJZCZTQSA-N 1 1 344.459 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@@H]21 ZINC001042141959 782843477 /nfs/dbraw/zinc/84/34/77/782843477.db2.gz ITZOIYGERWKLOM-RDJZCZTQSA-N 1 1 344.459 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@@H]21 ZINC001042143338 782845024 /nfs/dbraw/zinc/84/50/24/782845024.db2.gz WWVWIAXWOQVRCC-YOEHRIQHSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001042143327 782845400 /nfs/dbraw/zinc/84/54/00/782845400.db2.gz WPPGGMFHMOUHSG-CABCVRRESA-N 1 1 331.416 0.472 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001019010530 770562246 /nfs/dbraw/zinc/56/22/46/770562246.db2.gz VJDIMQPAYYIOKG-INIZCTEOSA-N 1 1 329.444 0.803 20 30 ECEDMO CC1(C)C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001089364971 770668013 /nfs/dbraw/zinc/66/80/13/770668013.db2.gz JHDQHEIMSRGJQH-UKRRQHHQSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C)nc(C)n2)CC1 ZINC001056065812 770726055 /nfs/dbraw/zinc/72/60/55/770726055.db2.gz YNTUECBNMYKKMH-INIZCTEOSA-N 1 1 327.432 0.840 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C)nc(C)n2)CC1 ZINC001056065812 770726060 /nfs/dbraw/zinc/72/60/60/770726060.db2.gz YNTUECBNMYKKMH-INIZCTEOSA-N 1 1 327.432 0.840 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC(C)(C)C1 ZINC001089365447 770727943 /nfs/dbraw/zinc/72/79/43/770727943.db2.gz SJGJCPYJHSUUOC-DGCLKSJQSA-N 1 1 331.420 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3(C)CC3)C2)C1 ZINC001019094542 770771379 /nfs/dbraw/zinc/77/13/79/770771379.db2.gz ZRKOIVUSKOQDBJ-HNNXBMFYSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3(C)CC3)C2)C1 ZINC001019094542 770771383 /nfs/dbraw/zinc/77/13/83/770771383.db2.gz ZRKOIVUSKOQDBJ-HNNXBMFYSA-N 1 1 329.444 0.945 20 30 ECEDMO O=C(C#CC1CC1)N1CCCO[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001078398119 782868848 /nfs/dbraw/zinc/86/88/48/782868848.db2.gz KOGCAVRIHBAHHG-OAHLLOKOSA-N 1 1 349.410 0.368 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)CC1 ZINC001083754376 770906541 /nfs/dbraw/zinc/90/65/41/770906541.db2.gz OGDYEYDVBUELNC-SJORKVTESA-N 1 1 332.448 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](CC)OC)C2 ZINC001019143497 770916350 /nfs/dbraw/zinc/91/63/50/770916350.db2.gz OIEUYXVJAPKLPB-HOTGVXAUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](CC)OC)C2 ZINC001019143497 770916354 /nfs/dbraw/zinc/91/63/54/770916354.db2.gz OIEUYXVJAPKLPB-HOTGVXAUSA-N 1 1 347.459 0.570 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](CNC(=O)C#CC3CC3)CC2)C1 ZINC001060700029 771014635 /nfs/dbraw/zinc/01/46/35/771014635.db2.gz QQWHTQRQXGJJBR-ULQDDVLXSA-N 1 1 347.459 0.522 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](CNC(=O)C#CC3CC3)CC2)C1 ZINC001060700029 771014641 /nfs/dbraw/zinc/01/46/41/771014641.db2.gz QQWHTQRQXGJJBR-ULQDDVLXSA-N 1 1 347.459 0.522 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001056228192 771021231 /nfs/dbraw/zinc/02/12/31/771021231.db2.gz OZEHFLDPOTXGTK-CAOSSQGBSA-N 1 1 325.416 0.764 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001056235572 771027598 /nfs/dbraw/zinc/02/75/98/771027598.db2.gz OCHFBOYFIGVWPF-DLTWYDFYSA-N 1 1 340.431 0.773 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)C1 ZINC001056252329 771043732 /nfs/dbraw/zinc/04/37/32/771043732.db2.gz CKEYEMZMXRWLMO-CVGURMSBSA-N 1 1 326.404 0.241 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001019250032 771059611 /nfs/dbraw/zinc/05/96/11/771059611.db2.gz QSHMFRNCJXBTGA-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001019250032 771059613 /nfs/dbraw/zinc/05/96/13/771059613.db2.gz QSHMFRNCJXBTGA-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1 ZINC001019258592 771069387 /nfs/dbraw/zinc/06/93/87/771069387.db2.gz HQDNVJLYWOQNQJ-ZDUSSCGKSA-N 1 1 329.339 0.225 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1c[nH+]cc1C ZINC001056314241 771111247 /nfs/dbraw/zinc/11/12/47/771111247.db2.gz LIMFGDFOVUCHQF-HZPDHXFCSA-N 1 1 346.431 0.986 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001077551250 771225141 /nfs/dbraw/zinc/22/51/41/771225141.db2.gz UXLMCVNPVDQMQQ-RBSFLKMASA-N 1 1 337.464 0.761 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4C#N)C[C@H]32)C1 ZINC001056403252 771230261 /nfs/dbraw/zinc/23/02/61/771230261.db2.gz JUQWZXAKBQDDJI-VIKVFOODSA-N 1 1 340.431 0.631 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1 ZINC001056404250 771232534 /nfs/dbraw/zinc/23/25/34/771232534.db2.gz VRAJLLMLKOMVHT-HALDLXJZSA-N 1 1 340.431 0.631 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)CC[N@H+]1C ZINC001056445106 771276620 /nfs/dbraw/zinc/27/66/20/771276620.db2.gz UPOYVIMTNVWYLB-MXOJCPGVSA-N 1 1 326.404 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC001019490589 771354542 /nfs/dbraw/zinc/35/45/42/771354542.db2.gz UYXWISZMPARECO-CVEARBPZSA-N 1 1 341.455 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC001019490589 771354547 /nfs/dbraw/zinc/35/45/47/771354547.db2.gz UYXWISZMPARECO-CVEARBPZSA-N 1 1 341.455 0.945 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001019493764 771357802 /nfs/dbraw/zinc/35/78/02/771357802.db2.gz MQVKVLJCFVHKSU-AAEUAGOBSA-N 1 1 344.423 0.846 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC(C)(C)C1 ZINC001089502811 771367064 /nfs/dbraw/zinc/36/70/64/771367064.db2.gz SIDBDBQRIXUXCZ-CYBMUJFWSA-N 1 1 348.447 0.490 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC(C)(C)C1 ZINC001089507164 771374810 /nfs/dbraw/zinc/37/48/10/771374810.db2.gz OCYHGPVAAAXQDG-OLZOCXBDSA-N 1 1 334.420 0.215 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001056559054 771380822 /nfs/dbraw/zinc/38/08/22/771380822.db2.gz ISRXKHSCKXGTOE-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089520531 771393860 /nfs/dbraw/zinc/39/38/60/771393860.db2.gz XLQYDSXJCAMPNY-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO C[C@@H](C(=O)NC1CCCC1)[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031602635 771394691 /nfs/dbraw/zinc/39/46/91/771394691.db2.gz KEGHOBJPAAARNP-LBPRGKRZSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089527804 771404857 /nfs/dbraw/zinc/40/48/57/771404857.db2.gz UIZWTXHMOLWDCZ-ZDUSSCGKSA-N 1 1 346.431 0.979 20 30 ECEDMO CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056599854 771419915 /nfs/dbraw/zinc/41/99/15/771419915.db2.gz RBTRDQNGFQMZFO-TZMCWYRMSA-N 1 1 344.419 0.254 20 30 ECEDMO CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056599854 771419919 /nfs/dbraw/zinc/41/99/19/771419919.db2.gz RBTRDQNGFQMZFO-TZMCWYRMSA-N 1 1 344.419 0.254 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC(C)(C)C1 ZINC001089551551 771464300 /nfs/dbraw/zinc/46/43/00/771464300.db2.gz IOUNRUDNCPOCGC-CQSZACIVSA-N 1 1 333.436 0.130 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3nc(C)ccc3C#N)C2)C1 ZINC001056648445 771467252 /nfs/dbraw/zinc/46/72/52/771467252.db2.gz WHWTZVBYUARXCR-CVEARBPZSA-N 1 1 343.431 0.995 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3nc(C)ccc3C#N)C2)C1 ZINC001056648445 771467253 /nfs/dbraw/zinc/46/72/53/771467253.db2.gz WHWTZVBYUARXCR-CVEARBPZSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)CC(C)(C)C1 ZINC001089559656 771486406 /nfs/dbraw/zinc/48/64/06/771486406.db2.gz QTHLXBLUCUJBPC-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)CC(C)(C)C1 ZINC001089560449 771489821 /nfs/dbraw/zinc/48/98/21/771489821.db2.gz YNKNWUAWIOJVEM-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C[C@@H]21 ZINC001042202260 782931366 /nfs/dbraw/zinc/93/13/66/782931366.db2.gz YOWVCNLYFCLCSA-RISCZKNCSA-N 1 1 325.372 0.833 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001019617148 771603478 /nfs/dbraw/zinc/60/34/78/771603478.db2.gz OUEBYMPAMDEZCY-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001056796391 771654350 /nfs/dbraw/zinc/65/43/50/771654350.db2.gz OAQLVTFNAFUIEY-VXGBXAGGSA-N 1 1 325.376 0.963 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)nc1 ZINC001019676882 771704775 /nfs/dbraw/zinc/70/47/75/771704775.db2.gz IODGJCGAVGIXFG-AAEUAGOBSA-N 1 1 325.376 0.152 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](N(C)c2nc(C)cc(C#N)n2)C1 ZINC001056926450 771815782 /nfs/dbraw/zinc/81/57/82/771815782.db2.gz HRVHRSCKDFYVPP-OAHLLOKOSA-N 1 1 339.403 0.899 20 30 ECEDMO C=C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1)c1ccccc1 ZINC001019805038 771818211 /nfs/dbraw/zinc/81/82/11/771818211.db2.gz QMSPFIDFTPZHPO-GJZGRUSLSA-N 1 1 326.404 0.870 20 30 ECEDMO CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001057066112 772026693 /nfs/dbraw/zinc/02/66/93/772026693.db2.gz MWSYMQKKCBJQNC-LSDHHAIUSA-N 1 1 328.420 0.870 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001057115399 772108523 /nfs/dbraw/zinc/10/85/23/772108523.db2.gz RMVJZFPINCIKQW-HNNXBMFYSA-N 1 1 347.394 0.462 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001057115399 772108524 /nfs/dbraw/zinc/10/85/24/772108524.db2.gz RMVJZFPINCIKQW-HNNXBMFYSA-N 1 1 347.394 0.462 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001020091163 772148442 /nfs/dbraw/zinc/14/84/42/772148442.db2.gz HMVVYWPXINTJNE-HAQNSBGRSA-N 1 1 328.380 0.333 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3nccnc3C#N)CC2)C1 ZINC001057146669 772165418 /nfs/dbraw/zinc/16/54/18/772165418.db2.gz ILJUNEIOAYBMII-HNNXBMFYSA-N 1 1 344.419 0.108 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCN(c3nccnc3C#N)CC2)C1 ZINC001057146669 772165423 /nfs/dbraw/zinc/16/54/23/772165423.db2.gz ILJUNEIOAYBMII-HNNXBMFYSA-N 1 1 344.419 0.108 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139134 772205685 /nfs/dbraw/zinc/20/56/85/772205685.db2.gz SBGLCSPCJIGGFX-KBUPBQIOSA-N 1 1 344.371 0.969 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001057172607 772213161 /nfs/dbraw/zinc/21/31/61/772213161.db2.gz KPRZYBQSGOREGC-OAHLLOKOSA-N 1 1 348.447 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nc(C)c[nH]2)[C@H]1C ZINC001020289434 772404959 /nfs/dbraw/zinc/40/49/59/772404959.db2.gz BHOLFTGMCHKYND-KKUMJFAQSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nc(C)c[nH]2)[C@H]1C ZINC001020289434 772404961 /nfs/dbraw/zinc/40/49/61/772404961.db2.gz BHOLFTGMCHKYND-KKUMJFAQSA-N 1 1 343.431 0.535 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)c1ccc(C#N)[nH]1 ZINC001078471346 783013715 /nfs/dbraw/zinc/01/37/15/783013715.db2.gz PYWLXXXXHASVJR-STQMWFEESA-N 1 1 331.420 0.853 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)c1c[nH]c(C#N)c1 ZINC001078471429 783014569 /nfs/dbraw/zinc/01/45/69/783014569.db2.gz SLMIZYWCPGIYOI-OLZOCXBDSA-N 1 1 331.420 0.853 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001057390580 772559449 /nfs/dbraw/zinc/55/94/49/772559449.db2.gz HIJJXIALGRKFSV-UHFFFAOYSA-N 1 1 325.453 0.457 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 ZINC001057426597 772601274 /nfs/dbraw/zinc/60/12/74/772601274.db2.gz ACAPBJHXMBHNFJ-SWLSCSKDSA-N 1 1 328.420 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(Nc2nccnc2C#N)CC1 ZINC001057426730 772601864 /nfs/dbraw/zinc/60/18/64/772601864.db2.gz FVCQXTFWIGWKCZ-TZMCWYRMSA-N 1 1 328.420 0.949 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001057444954 772621450 /nfs/dbraw/zinc/62/14/50/772621450.db2.gz AJJNFVQMIUTVHU-UHFFFAOYSA-N 1 1 337.464 0.459 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057521518 772713485 /nfs/dbraw/zinc/71/34/85/772713485.db2.gz IACKUQRZHHQEDJ-IRXDYDNUSA-N 1 1 349.475 0.457 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001057525007 772717766 /nfs/dbraw/zinc/71/77/66/772717766.db2.gz ZUOJLUDCURYFLK-UHFFFAOYSA-N 1 1 337.464 0.315 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057538229 772733668 /nfs/dbraw/zinc/73/36/68/772733668.db2.gz YIKLMCKFNLBEGR-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057600564 772798001 /nfs/dbraw/zinc/79/80/01/772798001.db2.gz CNBOGNZSGGSVEO-JSGCOSHPSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057600564 772798002 /nfs/dbraw/zinc/79/80/02/772798002.db2.gz CNBOGNZSGGSVEO-JSGCOSHPSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001057603001 772802003 /nfs/dbraw/zinc/80/20/03/772802003.db2.gz ZVITWUSFHYBDPQ-HZPDHXFCSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001057603001 772802008 /nfs/dbraw/zinc/80/20/08/772802008.db2.gz ZVITWUSFHYBDPQ-HZPDHXFCSA-N 1 1 329.404 0.687 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C(C)C ZINC001057619133 772822451 /nfs/dbraw/zinc/82/24/51/772822451.db2.gz FQIMCSAWIPUBIJ-UHFFFAOYSA-N 1 1 348.447 0.747 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N ZINC001057619762 772824164 /nfs/dbraw/zinc/82/41/64/772824164.db2.gz PUPBDLZYJNRNRB-CYBMUJFWSA-N 1 1 335.408 0.103 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001057692984 772917263 /nfs/dbraw/zinc/91/72/63/772917263.db2.gz ZGSIYGJFSXYWTA-CYBMUJFWSA-N 1 1 345.871 0.796 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057718834 772942029 /nfs/dbraw/zinc/94/20/29/772942029.db2.gz UQMKZSKSXURBIY-IAGOWNOFSA-N 1 1 349.475 0.744 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001057757789 772967161 /nfs/dbraw/zinc/96/71/61/772967161.db2.gz VJJQUCCWMIICNK-ZIAGYGMSSA-N 1 1 328.420 0.515 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057786036 772981806 /nfs/dbraw/zinc/98/18/06/772981806.db2.gz CBQWEGGDGHBJNJ-HNNXBMFYSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057786036 772981809 /nfs/dbraw/zinc/98/18/09/772981809.db2.gz CBQWEGGDGHBJNJ-HNNXBMFYSA-N 1 1 344.419 0.011 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001057863224 773086907 /nfs/dbraw/zinc/08/69/07/773086907.db2.gz JTGPRSGGOIEYAP-UHFFFAOYSA-N 1 1 325.453 0.313 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057863565 773089454 /nfs/dbraw/zinc/08/94/54/773089454.db2.gz WWPICLVBPUDXAG-HNNXBMFYSA-N 1 1 343.468 0.245 20 30 ECEDMO C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001057864543 773093252 /nfs/dbraw/zinc/09/32/52/773093252.db2.gz WMUVRSYZJXGZKU-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO CCc1nc(C#N)cc(N2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001057874660 773109810 /nfs/dbraw/zinc/10/98/10/773109810.db2.gz WZCSUNFOYGDDEZ-ZDUSSCGKSA-N 1 1 342.447 0.947 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001057903673 773164818 /nfs/dbraw/zinc/16/48/18/773164818.db2.gz SUBQTCZKKHOUEH-GJZGRUSLSA-N 1 1 339.480 0.866 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001057918355 773182781 /nfs/dbraw/zinc/18/27/81/773182781.db2.gz KXLAOQUXYMDUOL-UHFFFAOYSA-N 1 1 325.376 0.638 20 30 ECEDMO C=CCCOCC(=O)N(CCO)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001057919984 773184787 /nfs/dbraw/zinc/18/47/87/773184787.db2.gz FAJDFSNQQJMXEF-UHFFFAOYSA-N 1 1 341.452 0.001 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C1CCC1 ZINC001057938315 773224435 /nfs/dbraw/zinc/22/44/35/773224435.db2.gz LKXWFEIZNSFEAI-WBVHZDCISA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C1CCC1 ZINC001057938315 773224441 /nfs/dbraw/zinc/22/44/41/773224441.db2.gz LKXWFEIZNSFEAI-WBVHZDCISA-N 1 1 349.475 0.457 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057945942 773245463 /nfs/dbraw/zinc/24/54/63/773245463.db2.gz MRVWEPKSWGBYEL-IUODEOHRSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001057945850 773245925 /nfs/dbraw/zinc/24/59/25/773245925.db2.gz JNRIMPXUGJWWOG-OCCSQVGLSA-N 1 1 328.420 0.631 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058039252 773405557 /nfs/dbraw/zinc/40/55/57/773405557.db2.gz UPSOCLHWDBMNJG-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCN(c2nccnc2C#N)CC1 ZINC001058041184 773410961 /nfs/dbraw/zinc/41/09/61/773410961.db2.gz UKGSFAJJEPAWPT-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058056425 773446523 /nfs/dbraw/zinc/44/65/23/773446523.db2.gz VWLIENFEQIONPS-CYBMUJFWSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)CCCn1cc[nH+]c1C ZINC001058096512 773529817 /nfs/dbraw/zinc/52/98/17/773529817.db2.gz HWEAOVRYSWWBJC-UHFFFAOYSA-N 1 1 348.447 0.712 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058134478 773604192 /nfs/dbraw/zinc/60/41/92/773604192.db2.gz GJXBZXLKMAZCSF-GOEBONIOSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058134478 773604199 /nfs/dbraw/zinc/60/41/99/773604199.db2.gz GJXBZXLKMAZCSF-GOEBONIOSA-N 1 1 329.404 0.369 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058164153 773675073 /nfs/dbraw/zinc/67/50/73/773675073.db2.gz KDLCMYYYQXVPDS-CYBMUJFWSA-N 1 1 325.376 0.638 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058167847 773683723 /nfs/dbraw/zinc/68/37/23/773683723.db2.gz NCNFXQQIFNLTHW-DOTOQJQBSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058167847 773683729 /nfs/dbraw/zinc/68/37/29/773683729.db2.gz NCNFXQQIFNLTHW-DOTOQJQBSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058167700 773684168 /nfs/dbraw/zinc/68/41/68/773684168.db2.gz JOFPCCHQFGNQBZ-WBVHZDCISA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058167700 773684170 /nfs/dbraw/zinc/68/41/70/773684170.db2.gz JOFPCCHQFGNQBZ-WBVHZDCISA-N 1 1 343.431 0.759 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058241267 773828456 /nfs/dbraw/zinc/82/84/56/773828456.db2.gz MWUJXFBZZXAPJO-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058241254 773829223 /nfs/dbraw/zinc/82/92/23/773829223.db2.gz MRONIMPMYGCFRY-ZIAGYGMSSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058241340 773829239 /nfs/dbraw/zinc/82/92/39/773829239.db2.gz OHJCNUDCPAIPLT-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001039806099 783130025 /nfs/dbraw/zinc/13/00/25/783130025.db2.gz SKLVYPGBKQYYSF-APWZRJJASA-N 1 1 349.475 0.929 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058376555 774061190 /nfs/dbraw/zinc/06/11/90/774061190.db2.gz PWNUGSAZJCTQEM-GOEBONIOSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058376555 774061197 /nfs/dbraw/zinc/06/11/97/774061197.db2.gz PWNUGSAZJCTQEM-GOEBONIOSA-N 1 1 329.404 0.369 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001040640271 783157574 /nfs/dbraw/zinc/15/75/74/783157574.db2.gz WQMQSPFJFAYHGP-DZGCQCFKSA-N 1 1 337.387 0.591 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001058442780 774190508 /nfs/dbraw/zinc/19/05/08/774190508.db2.gz QPQUHFWQPNGGKP-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058468671 774244463 /nfs/dbraw/zinc/24/44/63/774244463.db2.gz OHUJLUPWBZGSSC-BZUAXINKSA-N 1 1 339.480 0.866 20 30 ECEDMO N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cn1 ZINC001058469342 774245829 /nfs/dbraw/zinc/24/58/29/774245829.db2.gz DUPILOIVOPVPGM-JSGCOSHPSA-N 1 1 337.387 0.817 20 30 ECEDMO N#Cc1nccc(N2CC[C@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001058469220 774246152 /nfs/dbraw/zinc/24/61/52/774246152.db2.gz BMZQCFHIIFDOKL-STQMWFEESA-N 1 1 337.387 0.817 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)C1 ZINC001058521558 774353574 /nfs/dbraw/zinc/35/35/74/774353574.db2.gz OPEZPQPWDLMUQF-ZFWWWQNUSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)C1 ZINC001058521558 774353579 /nfs/dbraw/zinc/35/35/79/774353579.db2.gz OPEZPQPWDLMUQF-ZFWWWQNUSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058521729 774354099 /nfs/dbraw/zinc/35/40/99/774354099.db2.gz SBCRBAJQMSJODH-RDJZCZTQSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058521729 774354106 /nfs/dbraw/zinc/35/41/06/774354106.db2.gz SBCRBAJQMSJODH-RDJZCZTQSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058521715 774354565 /nfs/dbraw/zinc/35/45/65/774354565.db2.gz RWXRFNJKZAYEPT-CVEARBPZSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058521715 774354571 /nfs/dbraw/zinc/35/45/71/774354571.db2.gz RWXRFNJKZAYEPT-CVEARBPZSA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001058525189 774362544 /nfs/dbraw/zinc/36/25/44/774362544.db2.gz IVRYKRDASYJAAQ-MELADBBJSA-N 1 1 328.420 0.773 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001058573108 774456613 /nfs/dbraw/zinc/45/66/13/774456613.db2.gz CFJQVPFHQQKHGL-HZSPNIEDSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(c3cncc(C#N)n3)[C@H]2C1 ZINC001044942028 774749954 /nfs/dbraw/zinc/74/99/54/774749954.db2.gz VWEAGFNCVJJTEO-IMJJTQAJSA-N 1 1 340.431 0.870 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001044985954 774801496 /nfs/dbraw/zinc/80/14/96/774801496.db2.gz PTQZKGDBFDPCLP-KBPBESRZSA-N 1 1 337.464 0.618 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001045059835 774913480 /nfs/dbraw/zinc/91/34/80/774913480.db2.gz WPQPNRBTDRNSMS-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001045069341 774929854 /nfs/dbraw/zinc/92/98/54/774929854.db2.gz TUCZBAVTYURQPG-RBSFLKMASA-N 1 1 337.464 0.618 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043909342 775284269 /nfs/dbraw/zinc/28/42/69/775284269.db2.gz HIAJHCINFYERAN-CQSZACIVSA-N 1 1 334.420 0.483 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043910021 775287005 /nfs/dbraw/zinc/28/70/05/775287005.db2.gz NOYCRUDGKVXSSK-ZDUSSCGKSA-N 1 1 334.420 0.483 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1 ZINC001045384193 775513110 /nfs/dbraw/zinc/51/31/10/775513110.db2.gz YRFCRDFXKHMPES-MCIONIFRSA-N 1 1 328.420 0.704 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(C#N)n2)C1 ZINC001045430372 775600876 /nfs/dbraw/zinc/60/08/76/775600876.db2.gz IRRBGONOORXBIB-RBSFLKMASA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(C#N)n2)C1 ZINC001045430372 775600882 /nfs/dbraw/zinc/60/08/82/775600882.db2.gz IRRBGONOORXBIB-RBSFLKMASA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(C#N)cn2)C1 ZINC001045431170 775604120 /nfs/dbraw/zinc/60/41/20/775604120.db2.gz ZOLHRANKRVROOH-RBSFLKMASA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(C#N)cn2)C1 ZINC001045431170 775604126 /nfs/dbraw/zinc/60/41/26/775604126.db2.gz ZOLHRANKRVROOH-RBSFLKMASA-N 1 1 344.419 0.518 20 30 ECEDMO C=C(C)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028765 790383444 /nfs/dbraw/zinc/38/34/44/790383444.db2.gz BXURRAKOPYUTPL-XHSDSOJGSA-N 1 1 332.452 0.538 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001045560306 775803008 /nfs/dbraw/zinc/80/30/08/775803008.db2.gz UMSAQXVRZKSULL-UKRRQHHQSA-N 1 1 344.415 0.138 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@@H](n2ccnn2)C1 ZINC001070035021 790402368 /nfs/dbraw/zinc/40/23/68/790402368.db2.gz DGFGXSGWIIWGHB-HIFRSBDPSA-N 1 1 329.408 0.644 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@@H](n2ccnn2)C1 ZINC001070035021 790402372 /nfs/dbraw/zinc/40/23/72/790402372.db2.gz DGFGXSGWIIWGHB-HIFRSBDPSA-N 1 1 329.408 0.644 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCCNC2=O)c1 ZINC001045745212 776127396 /nfs/dbraw/zinc/12/73/96/776127396.db2.gz IONHAOLCNZPMED-IJEWVQPXSA-N 1 1 341.415 0.844 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(Cc3cccc(C#N)c3)C2)C1 ZINC001044322628 776148854 /nfs/dbraw/zinc/14/88/54/776148854.db2.gz LEJSJKTXSOOYNY-GOSISDBHSA-N 1 1 342.443 0.922 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(Cc3cccc(C#N)c3)C2)C1 ZINC001044322628 776148858 /nfs/dbraw/zinc/14/88/58/776148858.db2.gz LEJSJKTXSOOYNY-GOSISDBHSA-N 1 1 342.443 0.922 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CN(C[C@@H]3C[C@]34CCOC4)C2)CC1 ZINC001044335557 776177750 /nfs/dbraw/zinc/17/77/50/776177750.db2.gz JPTKSAQLZDZOMI-PXNSSMCTSA-N 1 1 345.487 0.901 20 30 ECEDMO C=CCOCC(=O)NCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001070041509 790425317 /nfs/dbraw/zinc/42/53/17/790425317.db2.gz HAHHMITWLKICPV-AWEZNQCLSA-N 1 1 339.436 0.065 20 30 ECEDMO Cc1nc(N2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)ccc1C#N ZINC001044385979 776259423 /nfs/dbraw/zinc/25/94/23/776259423.db2.gz JNJWLGXKJILAJU-PMPSAXMXSA-N 1 1 343.431 0.412 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001044405225 776280781 /nfs/dbraw/zinc/28/07/81/776280781.db2.gz UQHHWAVLNYGPCQ-KGLIPLIRSA-N 1 1 337.464 0.476 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001044405227 776280909 /nfs/dbraw/zinc/28/09/09/776280909.db2.gz UQHHWAVLNYGPCQ-ZIAGYGMSSA-N 1 1 337.464 0.476 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001044459847 776320666 /nfs/dbraw/zinc/32/06/66/776320666.db2.gz DTSQQRCGUYRCQU-CABCVRRESA-N 1 1 349.475 0.763 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001044463359 776323549 /nfs/dbraw/zinc/32/35/49/776323549.db2.gz DCRNVHUUJZIDDD-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001044479010 776341578 /nfs/dbraw/zinc/34/15/78/776341578.db2.gz QLKNXPVZLPSWIE-HUUCEWRRSA-N 1 1 349.475 0.905 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001044484601 776347434 /nfs/dbraw/zinc/34/74/34/776347434.db2.gz PUHIHQXQGNTSQM-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642731 776589039 /nfs/dbraw/zinc/58/90/39/776589039.db2.gz KFNZCSMSNMCQIN-OASPWFOLSA-N 1 1 334.401 0.665 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642731 776589044 /nfs/dbraw/zinc/58/90/44/776589044.db2.gz KFNZCSMSNMCQIN-OASPWFOLSA-N 1 1 334.401 0.665 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001079685470 776682196 /nfs/dbraw/zinc/68/21/96/776682196.db2.gz ISXHDKZFUATYFZ-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001079685470 776682201 /nfs/dbraw/zinc/68/22/01/776682201.db2.gz ISXHDKZFUATYFZ-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079776054 776848920 /nfs/dbraw/zinc/84/89/20/776848920.db2.gz AEUMKYQOIZYNFI-DOTOQJQBSA-N 1 1 349.475 0.957 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001079777324 776853316 /nfs/dbraw/zinc/85/33/16/776853316.db2.gz XSCGURUCUKACCQ-AWEZNQCLSA-N 1 1 337.464 0.814 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079859843 776989659 /nfs/dbraw/zinc/98/96/59/776989659.db2.gz MHMGJUGRVPUXBG-IIAWOOMASA-N 1 1 335.448 0.424 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnc(OC)nc2)[C@@H](n2ccnn2)C1 ZINC001070069239 790500694 /nfs/dbraw/zinc/50/06/94/790500694.db2.gz SJOLFIMTOAWEHK-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001079888465 777027096 /nfs/dbraw/zinc/02/70/96/777027096.db2.gz CQJCPGNPMOHDCY-BZUAXINKSA-N 1 1 327.432 0.905 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001079917401 777075335 /nfs/dbraw/zinc/07/53/35/777075335.db2.gz BGCWMMUCJXBROG-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)[C@@H](n2ccnn2)C1 ZINC001070072172 790507622 /nfs/dbraw/zinc/50/76/22/790507622.db2.gz FFGVAYHBGGLUII-CVEARBPZSA-N 1 1 326.404 0.936 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)[C@@H](n2ccnn2)C1 ZINC001070072172 790507636 /nfs/dbraw/zinc/50/76/36/790507636.db2.gz FFGVAYHBGGLUII-CVEARBPZSA-N 1 1 326.404 0.936 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001079928982 777098939 /nfs/dbraw/zinc/09/89/39/777098939.db2.gz ZVLGIWJMCHCXAX-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001079997633 777209151 /nfs/dbraw/zinc/20/91/51/777209151.db2.gz XZLPCEKGXAVIIL-AWEZNQCLSA-N 1 1 337.464 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@H](C)COC)C1 ZINC001080009055 777221066 /nfs/dbraw/zinc/22/10/66/777221066.db2.gz OKIBBSYDASXRKD-RDJZCZTQSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@H](C)COC)C1 ZINC001080009055 777221075 /nfs/dbraw/zinc/22/10/75/777221075.db2.gz OKIBBSYDASXRKD-RDJZCZTQSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3cccnc3C2)[C@@H](n2ccnn2)C1 ZINC001070084445 790547959 /nfs/dbraw/zinc/54/79/59/790547959.db2.gz CRNVUPWIESWIJH-UAGQMJEPSA-N 1 1 338.415 0.616 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2Cc3cccnc3C2)[C@@H](n2ccnn2)C1 ZINC001070084445 790547964 /nfs/dbraw/zinc/54/79/64/790547964.db2.gz CRNVUPWIESWIJH-UAGQMJEPSA-N 1 1 338.415 0.616 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080259781 777620786 /nfs/dbraw/zinc/62/07/86/777620786.db2.gz MGVXHVWGCBKWAS-DJSGYFEHSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080259781 777620788 /nfs/dbraw/zinc/62/07/88/777620788.db2.gz MGVXHVWGCBKWAS-DJSGYFEHSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080265279 777629631 /nfs/dbraw/zinc/62/96/31/777629631.db2.gz YOCVQIKQNFYKMY-WQVCFCJDSA-N 1 1 341.415 0.518 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043130311 777787295 /nfs/dbraw/zinc/78/72/95/777787295.db2.gz NGQMFPJCCBWYLJ-UHFFFAOYSA-N 1 1 346.431 0.649 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001080398981 777793366 /nfs/dbraw/zinc/79/33/66/777793366.db2.gz WADZFXGIMLESMS-RAIGVLPGSA-N 1 1 335.383 0.386 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001080398981 777793374 /nfs/dbraw/zinc/79/33/74/777793374.db2.gz WADZFXGIMLESMS-RAIGVLPGSA-N 1 1 335.383 0.386 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458931 777891181 /nfs/dbraw/zinc/89/11/81/777891181.db2.gz KPEGWVXEZXVBSE-HPAJIGNASA-N 1 1 344.390 0.755 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458931 777891198 /nfs/dbraw/zinc/89/11/98/777891198.db2.gz KPEGWVXEZXVBSE-HPAJIGNASA-N 1 1 344.390 0.755 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080459063 777891383 /nfs/dbraw/zinc/89/13/83/777891383.db2.gz MJHULPGWUYFVOZ-BQDHKBFISA-N 1 1 326.400 0.616 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080459063 777891393 /nfs/dbraw/zinc/89/13/93/777891393.db2.gz MJHULPGWUYFVOZ-BQDHKBFISA-N 1 1 326.400 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(C)(C)CC)C1 ZINC001043197059 777935804 /nfs/dbraw/zinc/93/58/04/777935804.db2.gz CRAAMMNJQQURSK-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(C)(C)CC)C1 ZINC001043197059 777935812 /nfs/dbraw/zinc/93/58/12/777935812.db2.gz CRAAMMNJQQURSK-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001043218020 777983546 /nfs/dbraw/zinc/98/35/46/777983546.db2.gz CDOWDBJUTMXDTQ-UHFFFAOYSA-N 1 1 327.406 0.649 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2C)cc1 ZINC001080575473 778072476 /nfs/dbraw/zinc/07/24/76/778072476.db2.gz YCJCEQDAOWMBPM-CZUORRHYSA-N 1 1 329.400 0.495 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2C)cc1 ZINC001080575473 778072484 /nfs/dbraw/zinc/07/24/84/778072484.db2.gz YCJCEQDAOWMBPM-CZUORRHYSA-N 1 1 329.400 0.495 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)O2 ZINC001068575599 790614225 /nfs/dbraw/zinc/61/42/25/790614225.db2.gz PYNMRJCPDHUZES-HOTGVXAUSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001043464582 778380325 /nfs/dbraw/zinc/38/03/25/778380325.db2.gz XLPZJZXVMALDDP-ZDUSSCGKSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001043501557 778425605 /nfs/dbraw/zinc/42/56/05/778425605.db2.gz GTBIXOBACBSPJI-UHFFFAOYSA-N 1 1 330.396 0.416 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2C#N)C1 ZINC001043590298 778553913 /nfs/dbraw/zinc/55/39/13/778553913.db2.gz MDUSYRLXAOBOCX-OLMNPRSZSA-N 1 1 337.427 0.732 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2C#N)C1 ZINC001043590298 778553918 /nfs/dbraw/zinc/55/39/18/778553918.db2.gz MDUSYRLXAOBOCX-OLMNPRSZSA-N 1 1 337.427 0.732 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001070108738 790631651 /nfs/dbraw/zinc/63/16/51/790631651.db2.gz NHVMHVIVVPLIMP-MRXNPFEDSA-N 1 1 349.475 0.769 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070110243 790636855 /nfs/dbraw/zinc/63/68/55/790636855.db2.gz HLGBXEFZUUCOOG-BMFZPTHFSA-N 1 1 343.435 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070110243 790636868 /nfs/dbraw/zinc/63/68/68/790636868.db2.gz HLGBXEFZUUCOOG-BMFZPTHFSA-N 1 1 343.435 0.733 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043678358 778707735 /nfs/dbraw/zinc/70/77/35/778707735.db2.gz GSROZXVONNKOJL-HZPDHXFCSA-N 1 1 347.459 0.496 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001043771397 778845136 /nfs/dbraw/zinc/84/51/36/778845136.db2.gz VDHIKZMXOZGENC-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CCC1 ZINC001043771793 778846000 /nfs/dbraw/zinc/84/60/00/778846000.db2.gz ZAVOCNXKVMGTJG-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070123679 790692127 /nfs/dbraw/zinc/69/21/27/790692127.db2.gz YHYIHXBKULSCPH-CQSZACIVSA-N 1 1 337.464 0.932 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 ZINC001042333015 780086730 /nfs/dbraw/zinc/08/67/30/780086730.db2.gz MPUGMKZBCWSBBN-LSDHHAIUSA-N 1 1 333.436 0.389 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 ZINC001042333857 780088130 /nfs/dbraw/zinc/08/81/30/780088130.db2.gz QKMDETQVMCIAEJ-HZPDHXFCSA-N 1 1 347.463 0.779 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 ZINC001042345449 780109479 /nfs/dbraw/zinc/10/94/79/780109479.db2.gz LMDJIRNIYABRAK-KGLIPLIRSA-N 1 1 334.420 0.379 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCC)n3)C[C@@H]21 ZINC001042351946 780122034 /nfs/dbraw/zinc/12/20/34/780122034.db2.gz VLCMISOWNQKLJB-ZBFHGGJFSA-N 1 1 328.416 0.823 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@H]21 ZINC001042358730 780141282 /nfs/dbraw/zinc/14/12/82/780141282.db2.gz UBJLGYITIYUBIZ-LSDHHAIUSA-N 1 1 338.415 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)C[C@H]21 ZINC001042366070 780153180 /nfs/dbraw/zinc/15/31/80/780153180.db2.gz RZSBFCSHTMJRRF-RHSMWYFYSA-N 1 1 341.411 0.720 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]21 ZINC001042374205 780163298 /nfs/dbraw/zinc/16/32/98/780163298.db2.gz JWCUDCBJJCOVCM-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159794 790787006 /nfs/dbraw/zinc/78/70/06/790787006.db2.gz RNEPBTOOYCLAMC-DFBGVHRSSA-N 1 1 343.391 0.530 20 30 ECEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)on1 ZINC001070159596 790787453 /nfs/dbraw/zinc/78/74/53/790787453.db2.gz JYEDIWKAJZVIGD-HONMWMINSA-N 1 1 329.364 0.276 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2cc(C#N)ccc2F)C1 ZINC001042573175 780465329 /nfs/dbraw/zinc/46/53/29/780465329.db2.gz FPSLIWZFJVOYCP-KRWDZBQOSA-N 1 1 346.406 0.671 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2cc(C#N)ccc2F)C1 ZINC001042573175 780465332 /nfs/dbraw/zinc/46/53/32/780465332.db2.gz FPSLIWZFJVOYCP-KRWDZBQOSA-N 1 1 346.406 0.671 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001042634345 780565097 /nfs/dbraw/zinc/56/50/97/780565097.db2.gz QSDKUSBJFYNRLQ-BPLDGKMQSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001078885045 780582970 /nfs/dbraw/zinc/58/29/70/780582970.db2.gz SYDJJFKKKQFVMA-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001078962284 780656832 /nfs/dbraw/zinc/65/68/32/780656832.db2.gz NRWDOLSNTMDVTI-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2n[nH]nc2C)C1 ZINC001079141805 780807352 /nfs/dbraw/zinc/80/73/52/780807352.db2.gz ZRQJYLDZGFXYMK-HZPDHXFCSA-N 1 1 341.415 0.987 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2n[nH]nc2C)C1 ZINC001079141805 780807364 /nfs/dbraw/zinc/80/73/64/780807364.db2.gz ZRQJYLDZGFXYMK-HZPDHXFCSA-N 1 1 341.415 0.987 20 30 ECEDMO C=CCCC(=O)NCCCCC[NH+]1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001079158573 780831972 /nfs/dbraw/zinc/83/19/72/780831972.db2.gz NGUOLDKMCULBEE-UHFFFAOYSA-N 1 1 348.451 0.815 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001042798596 780839158 /nfs/dbraw/zinc/83/91/58/780839158.db2.gz ADGHRMBRZYYUBD-HZPDHXFCSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001042801985 780847403 /nfs/dbraw/zinc/84/74/03/780847403.db2.gz BDQDPFPPBXIGIW-UHFFFAOYSA-N 1 1 346.431 0.500 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1ccccc1F ZINC001079308764 780985127 /nfs/dbraw/zinc/98/51/27/780985127.db2.gz UYOJEYFRQWJPAD-WCQYABFASA-N 1 1 325.771 0.948 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001079388842 781063652 /nfs/dbraw/zinc/06/36/52/781063652.db2.gz UICUZVPMHYLMDX-FVQBIDKESA-N 1 1 344.415 0.157 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001079388842 781063656 /nfs/dbraw/zinc/06/36/56/781063656.db2.gz UICUZVPMHYLMDX-FVQBIDKESA-N 1 1 344.415 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cccnc2OC)C1 ZINC001042959826 781100984 /nfs/dbraw/zinc/10/09/84/781100984.db2.gz GHGFWTMGMMYHQD-KRWDZBQOSA-N 1 1 342.443 0.830 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cccnc2OC)C1 ZINC001042959826 781100988 /nfs/dbraw/zinc/10/09/88/781100988.db2.gz GHGFWTMGMMYHQD-KRWDZBQOSA-N 1 1 342.443 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2conc2CC)C1 ZINC001042960269 781102758 /nfs/dbraw/zinc/10/27/58/781102758.db2.gz MRNNEQBOHAEHBS-KRWDZBQOSA-N 1 1 330.432 0.977 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2conc2CC)C1 ZINC001042960269 781102760 /nfs/dbraw/zinc/10/27/60/781102760.db2.gz MRNNEQBOHAEHBS-KRWDZBQOSA-N 1 1 330.432 0.977 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 ZINC001042963276 781106625 /nfs/dbraw/zinc/10/66/25/781106625.db2.gz KUFVPJGAANJBDN-MRXNPFEDSA-N 1 1 347.459 0.352 20 30 ECEDMO C=CCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001079472433 781157119 /nfs/dbraw/zinc/15/71/19/781157119.db2.gz SDPFCJCJUFYLRI-ZBFHGGJFSA-N 1 1 335.448 0.875 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079540724 781242527 /nfs/dbraw/zinc/24/25/27/781242527.db2.gz WQEZEZNWFPJMIU-IVMMDQJWSA-N 1 1 342.403 0.194 20 30 ECEDMO CN(c1cnc(C#N)cn1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001068679234 790879102 /nfs/dbraw/zinc/87/91/02/790879102.db2.gz OZAORJCQYPBKIC-CYBMUJFWSA-N 1 1 328.420 0.727 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077675455 781479657 /nfs/dbraw/zinc/47/96/57/781479657.db2.gz NWBVEOCLNBNKSP-YNEHKIRRSA-N 1 1 346.269 0.541 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c(C)nc[nH]c3=O)C2)C1 ZINC001041437280 781513696 /nfs/dbraw/zinc/51/36/96/781513696.db2.gz MWKQHQHUTCGLQD-GOSISDBHSA-N 1 1 328.416 0.981 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(OCC(N)=O)cc3)C2)C1 ZINC001041455818 781552068 /nfs/dbraw/zinc/55/20/68/781552068.db2.gz UYASIGVUPHOKKH-LJQANCHMSA-N 1 1 341.411 0.722 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001077720831 781582344 /nfs/dbraw/zinc/58/23/44/781582344.db2.gz UYOXJMXSUXIBGW-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001077720831 781582347 /nfs/dbraw/zinc/58/23/47/781582347.db2.gz UYOXJMXSUXIBGW-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](CNc2ccncc2C#N)C1 ZINC001041483259 781606780 /nfs/dbraw/zinc/60/67/80/781606780.db2.gz QBXCMOVHSMXNTJ-DOTOQJQBSA-N 1 1 343.431 0.499 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)COC)C[C@H]2O)cc1 ZINC001077797826 781711872 /nfs/dbraw/zinc/71/18/72/781711872.db2.gz JYBHKEKYEQMQRX-KBRIMQKVSA-N 1 1 332.400 0.508 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)nn1 ZINC001077812994 781741977 /nfs/dbraw/zinc/74/19/77/781741977.db2.gz WYLQYIKXOZZBPX-SQWLQELKSA-N 1 1 349.435 0.056 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 ZINC001077840606 781804438 /nfs/dbraw/zinc/80/44/38/781804438.db2.gz CZGGJYCOTLHHOE-HUUCEWRRSA-N 1 1 325.453 0.225 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041612779 781851884 /nfs/dbraw/zinc/85/18/84/781851884.db2.gz CHSWGXQXUQXJBL-KRWDZBQOSA-N 1 1 330.363 0.607 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041612779 781851889 /nfs/dbraw/zinc/85/18/89/781851889.db2.gz CHSWGXQXUQXJBL-KRWDZBQOSA-N 1 1 330.363 0.607 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(c3cnc(C#N)cn3)CCCO2)C1 ZINC001039915795 783276703 /nfs/dbraw/zinc/27/67/03/783276703.db2.gz VKZCZAQGSFOWQE-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(c3ccc(C#N)nc3)CCCO2)C1 ZINC001039915861 783278703 /nfs/dbraw/zinc/27/87/03/783278703.db2.gz WEZVVDVFMROIGM-WMLDXEAASA-N 1 1 343.431 0.616 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040811876 783486053 /nfs/dbraw/zinc/48/60/53/783486053.db2.gz FODFRXSDMIQRRK-QZTJIDSGSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001040814010 783491825 /nfs/dbraw/zinc/49/18/25/783491825.db2.gz DRNHMXWDNMFOBW-DNVCBOLYSA-N 1 1 349.475 0.764 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)C#CC(C)(C)C)C1 ZINC001040105069 783557776 /nfs/dbraw/zinc/55/77/76/783557776.db2.gz VSFUKKPPNSHCSH-SFHVURJKSA-N 1 1 337.464 0.456 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@@H]1n1ccnn1 ZINC001070161831 783568073 /nfs/dbraw/zinc/56/80/73/783568073.db2.gz BFCDGCWSYYCJNQ-KGLIPLIRSA-N 1 1 349.826 0.902 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC001070254680 783750923 /nfs/dbraw/zinc/75/09/23/783750923.db2.gz STHAECRHULAPFD-JKSUJKDBSA-N 1 1 349.475 0.625 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1 ZINC001070326946 783832153 /nfs/dbraw/zinc/83/21/53/783832153.db2.gz KZCPLDGEHDTWRZ-OLZOCXBDSA-N 1 1 335.799 0.419 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]CCC)[C@@H](n3ccnn3)C2)CC1 ZINC001070333808 783842306 /nfs/dbraw/zinc/84/23/06/783842306.db2.gz WXMMBRSFHLEPAI-SJORKVTESA-N 1 1 344.463 0.375 20 30 ECEDMO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001070382799 783920965 /nfs/dbraw/zinc/92/09/65/783920965.db2.gz RKOFYUFIYWHDLE-NUJGCVRESA-N 1 1 346.475 0.047 20 30 ECEDMO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070382799 783920969 /nfs/dbraw/zinc/92/09/69/783920969.db2.gz RKOFYUFIYWHDLE-NUJGCVRESA-N 1 1 346.475 0.047 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ccncn2)C1 ZINC001070387425 783935074 /nfs/dbraw/zinc/93/50/74/783935074.db2.gz PFGZEDBMGWKMPV-HNNXBMFYSA-N 1 1 337.383 0.888 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ccncn2)C1 ZINC001070387425 783935078 /nfs/dbraw/zinc/93/50/78/783935078.db2.gz PFGZEDBMGWKMPV-HNNXBMFYSA-N 1 1 337.383 0.888 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038177072 783953841 /nfs/dbraw/zinc/95/38/41/783953841.db2.gz HTSMQHXYTVLWCV-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038177072 783953846 /nfs/dbraw/zinc/95/38/46/783953846.db2.gz HTSMQHXYTVLWCV-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038177371 783955420 /nfs/dbraw/zinc/95/54/20/783955420.db2.gz JRQAWXQVPKVFOT-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038177371 783955422 /nfs/dbraw/zinc/95/54/22/783955422.db2.gz JRQAWXQVPKVFOT-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO COCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001070405094 783983190 /nfs/dbraw/zinc/98/31/90/783983190.db2.gz YRDHOUJVSAUYRU-GFCCVEGCSA-N 1 1 342.403 0.975 20 30 ECEDMO Cn1oc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cc1=O ZINC001038199634 783986724 /nfs/dbraw/zinc/98/67/24/783986724.db2.gz VZLYNCFRAMSGSA-AWEZNQCLSA-N 1 1 326.356 0.854 20 30 ECEDMO Cn1oc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)cc1=O ZINC001038199634 783986728 /nfs/dbraw/zinc/98/67/28/783986728.db2.gz VZLYNCFRAMSGSA-AWEZNQCLSA-N 1 1 326.356 0.854 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001070406480 783987888 /nfs/dbraw/zinc/98/78/88/783987888.db2.gz VXFUHSPTAKHQLZ-LLVKDONJSA-N 1 1 331.376 0.607 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001070409471 783996864 /nfs/dbraw/zinc/99/68/64/783996864.db2.gz FJMBDARAWPGTKD-CHWSQXEVSA-N 1 1 331.420 0.480 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001070412602 784005950 /nfs/dbraw/zinc/00/59/50/784005950.db2.gz FWKONQRTWFQULW-HIFRSBDPSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnc3n2CCC3)C1 ZINC001070412788 784007326 /nfs/dbraw/zinc/00/73/26/784007326.db2.gz KICXLTUZVHWYJE-ZDUSSCGKSA-N 1 1 338.415 0.905 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001070414078 784010973 /nfs/dbraw/zinc/01/09/73/784010973.db2.gz DTJBFXFXXCUMCM-GFCCVEGCSA-N 1 1 340.387 0.648 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001070414957 784016410 /nfs/dbraw/zinc/01/64/10/784016410.db2.gz VQZLDBYRCMJMDL-ZIAGYGMSSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001070420228 784029235 /nfs/dbraw/zinc/02/92/35/784029235.db2.gz UHPARUJHSPXTLJ-LLVKDONJSA-N 1 1 328.376 0.201 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001070421469 784030059 /nfs/dbraw/zinc/03/00/59/784030059.db2.gz LQCWIDUKNAFEBL-UKRRQHHQSA-N 1 1 345.447 0.870 20 30 ECEDMO C=CCn1cc(C(=O)NCc2c[nH]nc2[C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC001070428180 784045489 /nfs/dbraw/zinc/04/54/89/784045489.db2.gz NXSGWNISWCLHRU-GFCCVEGCSA-N 1 1 347.398 0.876 20 30 ECEDMO C=CCn1cc(C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCF)C2)nn1 ZINC001070428180 784045497 /nfs/dbraw/zinc/04/54/97/784045497.db2.gz NXSGWNISWCLHRU-GFCCVEGCSA-N 1 1 347.398 0.876 20 30 ECEDMO CC#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070433800 784059717 /nfs/dbraw/zinc/05/97/17/784059717.db2.gz DRYPLDBOZUYHIE-LSDHHAIUSA-N 1 1 329.448 0.790 20 30 ECEDMO CC#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070433800 784059722 /nfs/dbraw/zinc/05/97/22/784059722.db2.gz DRYPLDBOZUYHIE-LSDHHAIUSA-N 1 1 329.448 0.790 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1cn[nH]c1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441577 784081519 /nfs/dbraw/zinc/08/15/19/784081519.db2.gz XSAJWWKYXDIHTC-AWEZNQCLSA-N 1 1 341.419 0.954 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916691 784109645 /nfs/dbraw/zinc/10/96/45/784109645.db2.gz UFAXVYGNTLHNAP-GUTXKFCHSA-N 1 1 344.371 0.417 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916691 784109649 /nfs/dbraw/zinc/10/96/49/784109649.db2.gz UFAXVYGNTLHNAP-GUTXKFCHSA-N 1 1 344.371 0.417 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001070476461 784159032 /nfs/dbraw/zinc/15/90/32/784159032.db2.gz NWHMBWRRMATVJF-VNHYZAJKSA-N 1 1 341.419 0.397 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070494906 784189081 /nfs/dbraw/zinc/18/90/81/784189081.db2.gz PGSUYPUJLCXFTO-PNBKFKSVSA-N 1 1 329.448 0.278 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070494906 784189083 /nfs/dbraw/zinc/18/90/83/784189083.db2.gz PGSUYPUJLCXFTO-PNBKFKSVSA-N 1 1 329.448 0.278 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC001070948558 784197562 /nfs/dbraw/zinc/19/75/62/784197562.db2.gz RDAWORPMMZMAMG-HUUCEWRRSA-N 1 1 336.436 0.366 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC001070948558 784197567 /nfs/dbraw/zinc/19/75/67/784197567.db2.gz RDAWORPMMZMAMG-HUUCEWRRSA-N 1 1 336.436 0.366 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cc(C)n[nH]2)CC1 ZINC001070952726 784207985 /nfs/dbraw/zinc/20/79/85/784207985.db2.gz FSMMSGZWDSEYMG-UHFFFAOYSA-N 1 1 333.436 0.487 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cncnc2)CC1 ZINC001070958550 784229098 /nfs/dbraw/zinc/22/90/98/784229098.db2.gz GJIOVHVCTDTXQP-UHFFFAOYSA-N 1 1 331.420 0.246 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cncnc2)CC1 ZINC001070958550 784229105 /nfs/dbraw/zinc/22/91/05/784229105.db2.gz GJIOVHVCTDTXQP-UHFFFAOYSA-N 1 1 331.420 0.246 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2C=CC=CC=C2)CC1 ZINC001070969323 784264773 /nfs/dbraw/zinc/26/47/73/784264773.db2.gz LSYBVGZXQJBBPT-UHFFFAOYSA-N 1 1 327.428 0.959 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C2C=CC=CC=C2)CC1 ZINC001070969323 784264778 /nfs/dbraw/zinc/26/47/78/784264778.db2.gz LSYBVGZXQJBBPT-UHFFFAOYSA-N 1 1 327.428 0.959 20 30 ECEDMO Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2NCC#N)c1 ZINC001070553887 784265521 /nfs/dbraw/zinc/26/55/21/784265521.db2.gz LBCCOOQVPWEXKQ-OFQRWUPVSA-N 1 1 330.436 0.169 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)ncn2C)CC1 ZINC001070971454 784273427 /nfs/dbraw/zinc/27/34/27/784273427.db2.gz ADUDOXYOUMMSFC-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)ncn2C)CC1 ZINC001070971454 784273434 /nfs/dbraw/zinc/27/34/34/784273434.db2.gz ADUDOXYOUMMSFC-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2nc(CC)c[nH]2)CC1 ZINC001070971659 784275489 /nfs/dbraw/zinc/27/54/89/784275489.db2.gz LDQXOFGUEIVWBX-UHFFFAOYSA-N 1 1 347.463 0.741 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001070971741 784276746 /nfs/dbraw/zinc/27/67/46/784276746.db2.gz PBRSWCQTOMSYMC-QGZVFWFLSA-N 1 1 348.491 0.535 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1cn(C)cn1 ZINC001070570348 784287169 /nfs/dbraw/zinc/28/71/69/784287169.db2.gz KJXRRIDEHPACGL-DZGCQCFKSA-N 1 1 348.838 0.953 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cncc(C)c2)CC1 ZINC001070981690 784312659 /nfs/dbraw/zinc/31/26/59/784312659.db2.gz NGLXEEBMLANWII-UHFFFAOYSA-N 1 1 342.443 0.606 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cncc(C)c2)CC1 ZINC001070981690 784312663 /nfs/dbraw/zinc/31/26/63/784312663.db2.gz NGLXEEBMLANWII-UHFFFAOYSA-N 1 1 342.443 0.606 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](OC)C2CCC2)CC1 ZINC001070982835 784316878 /nfs/dbraw/zinc/31/68/78/784316878.db2.gz PCVZCOLEDNPUAK-QGZVFWFLSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](OC)C2CCC2)CC1 ZINC001070982835 784316885 /nfs/dbraw/zinc/31/68/85/784316885.db2.gz PCVZCOLEDNPUAK-QGZVFWFLSA-N 1 1 335.448 0.475 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001070986662 784328384 /nfs/dbraw/zinc/32/83/84/784328384.db2.gz WVUGNKGMFWTJOM-MRXNPFEDSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)cnn2C)CC1 ZINC001070989722 784336126 /nfs/dbraw/zinc/33/61/26/784336126.db2.gz DYJOGASWAZQBJJ-UHFFFAOYSA-N 1 1 331.420 0.016 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)cnn2C)CC1 ZINC001070989722 784336135 /nfs/dbraw/zinc/33/61/35/784336135.db2.gz DYJOGASWAZQBJJ-UHFFFAOYSA-N 1 1 331.420 0.016 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001070997275 784359825 /nfs/dbraw/zinc/35/98/25/784359825.db2.gz BGOBEXPYQBRZNS-UHFFFAOYSA-N 1 1 337.399 0.779 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001070997275 784359837 /nfs/dbraw/zinc/35/98/37/784359837.db2.gz BGOBEXPYQBRZNS-UHFFFAOYSA-N 1 1 337.399 0.779 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070585742 784363551 /nfs/dbraw/zinc/36/35/51/784363551.db2.gz LPNAXFRDOQYYOC-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070585742 784363559 /nfs/dbraw/zinc/36/35/59/784363559.db2.gz LPNAXFRDOQYYOC-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001071000085 784370019 /nfs/dbraw/zinc/37/00/19/784370019.db2.gz MZUBLCCJSFEMAN-UHFFFAOYSA-N 1 1 334.464 0.002 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cscn2)CC1 ZINC001071006997 784390554 /nfs/dbraw/zinc/39/05/54/784390554.db2.gz CWKLUVLLVLGSKC-UHFFFAOYSA-N 1 1 336.461 0.912 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnon2)n1 ZINC001070599226 784411646 /nfs/dbraw/zinc/41/16/46/784411646.db2.gz ONRFZLXFEJTVPB-RYUDHWBXSA-N 1 1 330.348 0.241 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC001071014241 784414806 /nfs/dbraw/zinc/41/48/06/784414806.db2.gz FUCKCSLDXMCAEP-MAUKXSAKSA-N 1 1 333.432 0.087 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC001071014241 784414810 /nfs/dbraw/zinc/41/48/10/784414810.db2.gz FUCKCSLDXMCAEP-MAUKXSAKSA-N 1 1 333.432 0.087 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cncn2)n1 ZINC001070606029 784428543 /nfs/dbraw/zinc/42/85/43/784428543.db2.gz HTJKWNKAFNGUFW-UONOGXRCSA-N 1 1 345.407 0.389 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001070633505 784467797 /nfs/dbraw/zinc/46/77/97/784467797.db2.gz KGYJHQCFEGXZRA-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1c1cncn1C ZINC001070648944 784495181 /nfs/dbraw/zinc/49/51/81/784495181.db2.gz FUAQMKBOVLYEKM-UKRRQHHQSA-N 1 1 349.398 0.522 20 30 ECEDMO N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001071100958 784539471 /nfs/dbraw/zinc/53/94/71/784539471.db2.gz JNBUOYLAVLEVFA-AOIWGVFYSA-N 1 1 346.475 0.982 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001071148674 784605384 /nfs/dbraw/zinc/60/53/84/784605384.db2.gz XWMQWCGMVIKEKG-SJORKVTESA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001071148674 784605388 /nfs/dbraw/zinc/60/53/88/784605388.db2.gz XWMQWCGMVIKEKG-SJORKVTESA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C)c1C)C[C@@H](C)O2 ZINC001071149679 784607369 /nfs/dbraw/zinc/60/73/69/784607369.db2.gz PLJIQYVEUIDARC-DYVFJYSZSA-N 1 1 331.420 0.452 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(CC)n1)C[C@H](C)O2 ZINC001071164851 784637673 /nfs/dbraw/zinc/63/76/73/784637673.db2.gz TWDVNKKDPZVQIG-WMLDXEAASA-N 1 1 331.420 0.627 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@H](C)O2 ZINC001071168674 784646394 /nfs/dbraw/zinc/64/63/94/784646394.db2.gz GBOJGOHXXZKVBG-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CS(=O)(=O)C1)C[C@@H](C)O2 ZINC001071168952 784646651 /nfs/dbraw/zinc/64/66/51/784646651.db2.gz KEDQRRJBJIJTDI-CZUORRHYSA-N 1 1 342.461 0.299 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(N(C)C)cn1)C[C@@H](C)O2 ZINC001071168969 784646733 /nfs/dbraw/zinc/64/67/33/784646733.db2.gz KFZGJRVNDJYXNN-RDTXWAMCSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(N(C)C)cn1)C[C@@H](C)O2 ZINC001071168969 784646741 /nfs/dbraw/zinc/64/67/41/784646741.db2.gz KFZGJRVNDJYXNN-RDTXWAMCSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cccc(C)c1=O)C[C@H](C)O2 ZINC001071169388 784647759 /nfs/dbraw/zinc/64/77/59/784647759.db2.gz QKDZCZFTEBAORI-QFBILLFUSA-N 1 1 343.427 0.482 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cccc(C)c1=O)C[C@@H](C)O2 ZINC001071169389 784648376 /nfs/dbraw/zinc/64/83/76/784648376.db2.gz QKDZCZFTEBAORI-VQIMIIECSA-N 1 1 343.427 0.482 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nnn1CC)C[C@H](C)O2 ZINC001071175470 784664320 /nfs/dbraw/zinc/66/43/20/784664320.db2.gz FDIUNNGVCKHTEC-KBXCAEBGSA-N 1 1 345.447 0.935 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OCC)n[nH]1)C[C@H](C)O2 ZINC001071177768 784669510 /nfs/dbraw/zinc/66/95/10/784669510.db2.gz GDOIYLPMWNWOMG-GUYCJALGSA-N 1 1 332.404 0.747 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1CC)C[C@H](C)O2 ZINC001071183558 784684198 /nfs/dbraw/zinc/68/41/98/784684198.db2.gz PZSQWOAKFSTPDI-KSSFIOAISA-N 1 1 330.432 0.921 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)cn1C)C[C@H](C)O2 ZINC001071185597 784689305 /nfs/dbraw/zinc/68/93/05/784689305.db2.gz JIGQEIRRQRKDOD-SCLBCKFNSA-N 1 1 346.431 0.615 20 30 ECEDMO C#CCN1CC[C@]2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C[C@H](C)O2 ZINC001071186046 784690423 /nfs/dbraw/zinc/69/04/23/784690423.db2.gz PPGDESMAIGCLQM-WMZOPIPTSA-N 1 1 331.460 0.940 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@@H](C)O2 ZINC001071189448 784693799 /nfs/dbraw/zinc/69/37/99/784693799.db2.gz LEKQKAVCXOQPLP-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)C[C@@H](C)O2 ZINC001071190366 784698163 /nfs/dbraw/zinc/69/81/63/784698163.db2.gz YEXJDGPZDGASIY-RDTXWAMCSA-N 1 1 344.415 0.604 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)C[C@@H](C)O2 ZINC001071190366 784698165 /nfs/dbraw/zinc/69/81/65/784698165.db2.gz YEXJDGPZDGASIY-RDTXWAMCSA-N 1 1 344.415 0.604 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CSCC#N)C2)CC[N@H+]1C ZINC001070807114 784701831 /nfs/dbraw/zinc/70/18/31/784701831.db2.gz IKQCGDVTRBVLAD-MGPQQGTHSA-N 1 1 338.477 0.691 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@H](C)O2 ZINC001071191496 784701857 /nfs/dbraw/zinc/70/18/57/784701857.db2.gz GZSFRTYRSCDRJT-KSSFIOAISA-N 1 1 344.415 0.109 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@@H](C)O2 ZINC001071201221 784723639 /nfs/dbraw/zinc/72/36/39/784723639.db2.gz AKJVSWWWOSFPID-SJKOYZFVSA-N 1 1 330.388 0.429 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001071207203 784738273 /nfs/dbraw/zinc/73/82/73/784738273.db2.gz WQNGXVXAKNILOE-UGSOOPFHSA-N 1 1 342.399 0.235 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@@H](C)O2 ZINC001071209708 784742446 /nfs/dbraw/zinc/74/24/46/784742446.db2.gz OILHIWRKWPOYGD-PXAZEXFGSA-N 1 1 332.404 0.605 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@H](C)O2 ZINC001071211346 784745606 /nfs/dbraw/zinc/74/56/06/784745606.db2.gz GGLMYIMVDPJBAQ-UGSOOPFHSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@H](C)O2 ZINC001071211997 784746977 /nfs/dbraw/zinc/74/69/77/784746977.db2.gz QREMJMBKRRUSDP-SCLBCKFNSA-N 1 1 344.415 0.442 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@@H](C)O2 ZINC001071218342 784762088 /nfs/dbraw/zinc/76/20/88/784762088.db2.gz MGPWKUIFNPUWOL-IEBWSBKVSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(CC)n1)C[C@H](C)O2 ZINC001071220762 784770455 /nfs/dbraw/zinc/77/04/55/784770455.db2.gz IZHUIZBXCFOXJU-KSSFIOAISA-N 1 1 344.415 0.202 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cnnn1)C[C@H](C)O2 ZINC001071223992 784778006 /nfs/dbraw/zinc/77/80/06/784778006.db2.gz XSGJPDHBHMDQGE-HOCLYGCPSA-N 1 1 334.424 0.331 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(CCOC)c1)C[C@H](C)O2 ZINC001071233613 784798546 /nfs/dbraw/zinc/79/85/46/784798546.db2.gz LTYGMNYVCGCXDZ-MAUKXSAKSA-N 1 1 346.431 0.468 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(CCOC)c1)C[C@H](C)O2 ZINC001071233613 784798553 /nfs/dbraw/zinc/79/85/53/784798553.db2.gz LTYGMNYVCGCXDZ-MAUKXSAKSA-N 1 1 346.431 0.468 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@H](C)O2 ZINC001071241706 784817869 /nfs/dbraw/zinc/81/78/69/784817869.db2.gz ZJNXKVYZTGLMAQ-LPHOPBHVSA-N 1 1 343.427 0.563 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@@H](C)O2 ZINC001071248179 784830463 /nfs/dbraw/zinc/83/04/63/784830463.db2.gz FZZIOHJDIGVCGR-KDOFPFPSSA-N 1 1 345.447 0.935 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@H](C)O2 ZINC001071248667 784832063 /nfs/dbraw/zinc/83/20/63/784832063.db2.gz PQJFEOZKECSILL-YJBOKZPZSA-N 1 1 345.447 0.463 20 30 ECEDMO C#CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265506 784887474 /nfs/dbraw/zinc/88/74/74/784887474.db2.gz KPLPAVWDZAVQBG-IXDOHACOSA-N 1 1 346.475 0.095 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)C(=O)C1 ZINC001071265392 784888407 /nfs/dbraw/zinc/88/84/07/784888407.db2.gz GZRFEQWKQHKNRF-FCEWJHQRSA-N 1 1 347.459 0.734 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)C(=O)C1 ZINC001071265392 784888409 /nfs/dbraw/zinc/88/84/09/784888409.db2.gz GZRFEQWKQHKNRF-FCEWJHQRSA-N 1 1 347.459 0.734 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 ZINC001071272786 784907368 /nfs/dbraw/zinc/90/73/68/784907368.db2.gz XHDFNDUFDYGJIY-CVEARBPZSA-N 1 1 347.463 0.129 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cnon3)C2)C(=O)C1 ZINC001071275807 784917608 /nfs/dbraw/zinc/91/76/08/784917608.db2.gz PWKJKVBLPVGTLZ-ZDUSSCGKSA-N 1 1 333.392 0.395 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cnon3)C2)C(=O)C1 ZINC001071275807 784917612 /nfs/dbraw/zinc/91/76/12/784917612.db2.gz PWKJKVBLPVGTLZ-ZDUSSCGKSA-N 1 1 333.392 0.395 20 30 ECEDMO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001068751804 791071532 /nfs/dbraw/zinc/07/15/32/791071532.db2.gz SJKDPIUJLPPMMJ-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1C ZINC001071816797 785153724 /nfs/dbraw/zinc/15/37/24/785153724.db2.gz ZABDIYAKFRTWMY-QWRGUYRKSA-N 1 1 341.437 0.216 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC[C@@H]1C ZINC001071896326 785288856 /nfs/dbraw/zinc/28/88/56/785288856.db2.gz FRXOFHDEXJRILN-UONOGXRCSA-N 1 1 341.415 0.937 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001071918935 785333998 /nfs/dbraw/zinc/33/39/98/785333998.db2.gz UUXJXLXUTHOBJC-DOMZBBRYSA-N 1 1 331.420 0.803 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC[C@H]1C ZINC001071608705 785391171 /nfs/dbraw/zinc/39/11/71/785391171.db2.gz DBQTULQKDYGMAB-UKRRQHHQSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC[C@H]1C ZINC001071608705 785391179 /nfs/dbraw/zinc/39/11/79/785391179.db2.gz DBQTULQKDYGMAB-UKRRQHHQSA-N 1 1 338.473 0.804 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071658880 785465650 /nfs/dbraw/zinc/46/56/50/785465650.db2.gz QUXGWTJQYLYKAF-OLZOCXBDSA-N 1 1 340.493 0.937 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071662794 785477219 /nfs/dbraw/zinc/47/72/19/785477219.db2.gz XYFKWLWPTPHPGV-STQMWFEESA-N 1 1 326.466 0.548 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C ZINC001071988800 785484387 /nfs/dbraw/zinc/48/43/87/785484387.db2.gz KXJQKVNZTHOBKW-QWHCGFSZSA-N 1 1 344.419 0.967 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@@H]1C ZINC001071667100 785485037 /nfs/dbraw/zinc/48/50/37/785485037.db2.gz UEEQIXKOJQYKBX-GJZGRUSLSA-N 1 1 346.431 0.496 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C ZINC001071689881 785529137 /nfs/dbraw/zinc/52/91/37/785529137.db2.gz QTDFHADSBYWZNS-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001072035157 785557740 /nfs/dbraw/zinc/55/77/40/785557740.db2.gz IFAZHLDTZQKKKO-HZPDHXFCSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1C ZINC001072048721 785571904 /nfs/dbraw/zinc/57/19/04/785571904.db2.gz LTCVTDTWDAFFRD-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1C ZINC001072048722 785572350 /nfs/dbraw/zinc/57/23/50/785572350.db2.gz LTCVTDTWDAFFRD-STQMWFEESA-N 1 1 334.420 0.309 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@@H]1C ZINC001071721217 785583848 /nfs/dbraw/zinc/58/38/48/785583848.db2.gz NLOLBUCHUTUUJT-UONOGXRCSA-N 1 1 329.404 0.651 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001072389832 786121737 /nfs/dbraw/zinc/12/17/37/786121737.db2.gz ILWKTPOKFIRUHK-JKSUJKDBSA-N 1 1 335.448 0.331 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C2)nc1 ZINC001072468246 786225953 /nfs/dbraw/zinc/22/59/53/786225953.db2.gz RKQDVZIAMPAOTN-WMLDXEAASA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CCOC4)C3)C2)C1=O ZINC001072532315 786335751 /nfs/dbraw/zinc/33/57/51/786335751.db2.gz GNBFWNDZLWNFPZ-GJZGRUSLSA-N 1 1 333.432 0.344 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CCCOC4)C3)C2)C1=O ZINC001072539599 786341886 /nfs/dbraw/zinc/34/18/86/786341886.db2.gz XGUITKILFMHMOS-JKSUJKDBSA-N 1 1 347.459 0.734 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 ZINC001074226032 786463920 /nfs/dbraw/zinc/46/39/20/786463920.db2.gz JSSCHTQPDBVZFZ-HOTGVXAUSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 ZINC001074226032 786463926 /nfs/dbraw/zinc/46/39/26/786463926.db2.gz JSSCHTQPDBVZFZ-HOTGVXAUSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@@H]21 ZINC001074226987 786466027 /nfs/dbraw/zinc/46/60/27/786466027.db2.gz ZWOAZGKZEXKZOS-KBPBESRZSA-N 1 1 335.404 0.860 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@@H]21 ZINC001074226987 786466031 /nfs/dbraw/zinc/46/60/31/786466031.db2.gz ZWOAZGKZEXKZOS-KBPBESRZSA-N 1 1 335.404 0.860 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001074239472 786484585 /nfs/dbraw/zinc/48/45/85/786484585.db2.gz GCMIHCYEPWSHRI-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001073553207 786570434 /nfs/dbraw/zinc/57/04/34/786570434.db2.gz PYZRELNETMOJGF-UHFFFAOYSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001073554255 786576678 /nfs/dbraw/zinc/57/66/78/786576678.db2.gz SVCUBZYMMZGGRY-INIZCTEOSA-N 1 1 334.464 0.402 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)c1 ZINC001073567905 786631073 /nfs/dbraw/zinc/63/10/73/786631073.db2.gz FLIUOUFSOBSHCP-HIFRSBDPSA-N 1 1 332.404 0.744 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001073572760 786646981 /nfs/dbraw/zinc/64/69/81/786646981.db2.gz LRKRNMYSCTZTCI-HNNXBMFYSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](CC4CC4)[C@H]3C2)nn1 ZINC001074354388 786740025 /nfs/dbraw/zinc/74/00/25/786740025.db2.gz POTCWICUEICZOP-HOTGVXAUSA-N 1 1 331.420 0.789 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3C2)nn1 ZINC001074354388 786740032 /nfs/dbraw/zinc/74/00/32/786740032.db2.gz POTCWICUEICZOP-HOTGVXAUSA-N 1 1 331.420 0.789 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001073617695 786779900 /nfs/dbraw/zinc/77/99/00/786779900.db2.gz KJGJOILZPMPABR-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001073617695 786779912 /nfs/dbraw/zinc/77/99/12/786779912.db2.gz KJGJOILZPMPABR-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001073617819 786780256 /nfs/dbraw/zinc/78/02/56/786780256.db2.gz NFPIZNPLCTWLPY-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@H]21 ZINC001074377340 786797631 /nfs/dbraw/zinc/79/76/31/786797631.db2.gz JPBMSJUTIRNMQV-CABCVRRESA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@H]21 ZINC001074377340 786797637 /nfs/dbraw/zinc/79/76/37/786797637.db2.gz JPBMSJUTIRNMQV-CABCVRRESA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001073630309 786814750 /nfs/dbraw/zinc/81/47/50/786814750.db2.gz ROIXNJOYCLGVOD-HNNXBMFYSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001073630309 786814756 /nfs/dbraw/zinc/81/47/56/786814756.db2.gz ROIXNJOYCLGVOD-HNNXBMFYSA-N 1 1 340.387 0.116 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@H]21 ZINC001074384668 786818653 /nfs/dbraw/zinc/81/86/53/786818653.db2.gz KAZPDNSYORVUBH-HZPDHXFCSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@H]21 ZINC001074384668 786818663 /nfs/dbraw/zinc/81/86/63/786818663.db2.gz KAZPDNSYORVUBH-HZPDHXFCSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001073633858 786827406 /nfs/dbraw/zinc/82/74/06/786827406.db2.gz IIECBKKBRXXPBU-QZTJIDSGSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001073634977 786832638 /nfs/dbraw/zinc/83/26/38/786832638.db2.gz YPDLOQVHDCTFGC-CYBMUJFWSA-N 1 1 346.431 0.438 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)CCCO1 ZINC001073636576 786833964 /nfs/dbraw/zinc/83/39/64/786833964.db2.gz AZMAXZWADXDTQV-CQSZACIVSA-N 1 1 334.420 0.241 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)CCCO1 ZINC001073636576 786833975 /nfs/dbraw/zinc/83/39/75/786833975.db2.gz AZMAXZWADXDTQV-CQSZACIVSA-N 1 1 334.420 0.241 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3ncccc23)C1 ZINC001073636994 786836518 /nfs/dbraw/zinc/83/65/18/786836518.db2.gz NEOYBFJMCZZVHJ-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3ccncc23)C1 ZINC001073637206 786837088 /nfs/dbraw/zinc/83/70/88/786837088.db2.gz SUUQNWNUDYBRMT-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001073639879 786846058 /nfs/dbraw/zinc/84/60/58/786846058.db2.gz MTPHIXIDZAKEAM-CYBMUJFWSA-N 1 1 333.388 0.860 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3ccccn3c2=O)C1 ZINC001073660808 786904335 /nfs/dbraw/zinc/90/43/35/786904335.db2.gz PATZAEGSMCNRHB-AWEZNQCLSA-N 1 1 342.399 0.701 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 ZINC001074415894 786913717 /nfs/dbraw/zinc/91/37/17/786913717.db2.gz YIPLKLCAEIDMSZ-HOCLYGCPSA-N 1 1 348.447 0.605 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 ZINC001074415894 786913725 /nfs/dbraw/zinc/91/37/25/786913725.db2.gz YIPLKLCAEIDMSZ-HOCLYGCPSA-N 1 1 348.447 0.605 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001073667262 786915533 /nfs/dbraw/zinc/91/55/33/786915533.db2.gz ASWSXCDEHMCXJD-KBPBESRZSA-N 1 1 349.435 0.329 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001073684682 786968078 /nfs/dbraw/zinc/96/80/78/786968078.db2.gz XLXRHEMTGCFLAA-ZIAGYGMSSA-N 1 1 330.450 0.204 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001073684682 786968084 /nfs/dbraw/zinc/96/80/84/786968084.db2.gz XLXRHEMTGCFLAA-ZIAGYGMSSA-N 1 1 330.450 0.204 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001073709926 787020888 /nfs/dbraw/zinc/02/08/88/787020888.db2.gz LXSLZLWBQJQAEZ-JKSUJKDBSA-N 1 1 345.447 0.379 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001073712916 787027383 /nfs/dbraw/zinc/02/73/83/787027383.db2.gz PBIOOGQSDGTPCM-GJZGRUSLSA-N 1 1 346.431 0.758 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073741963 787099549 /nfs/dbraw/zinc/09/95/49/787099549.db2.gz ZLJSZOYMNKOCBY-IRXDYDNUSA-N 1 1 337.464 0.326 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073741963 787099557 /nfs/dbraw/zinc/09/95/57/787099557.db2.gz ZLJSZOYMNKOCBY-IRXDYDNUSA-N 1 1 337.464 0.326 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001073759899 787145214 /nfs/dbraw/zinc/14/52/14/787145214.db2.gz LPICHNYBEMQDQY-QGZVFWFLSA-N 1 1 343.427 0.558 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001073759899 787145217 /nfs/dbraw/zinc/14/52/17/787145217.db2.gz LPICHNYBEMQDQY-QGZVFWFLSA-N 1 1 343.427 0.558 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001073764858 787157435 /nfs/dbraw/zinc/15/74/35/787157435.db2.gz MMNIBLRJHANIDC-FUHWJXTLSA-N 1 1 344.459 0.984 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001074519803 787158821 /nfs/dbraw/zinc/15/88/21/787158821.db2.gz KZMRRKYQHALILQ-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001073779023 787188477 /nfs/dbraw/zinc/18/84/77/787188477.db2.gz OQHQLEFJVLLDAQ-KBPBESRZSA-N 1 1 334.424 0.019 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001073796258 787218460 /nfs/dbraw/zinc/21/84/60/787218460.db2.gz KZGFLHBVCGFQQP-WBVHZDCISA-N 1 1 332.375 0.970 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001073796258 787218468 /nfs/dbraw/zinc/21/84/68/787218468.db2.gz KZGFLHBVCGFQQP-WBVHZDCISA-N 1 1 332.375 0.970 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc(N(C)C)c2)C1 ZINC001073798561 787224080 /nfs/dbraw/zinc/22/40/80/787224080.db2.gz KFSWYZSANBSGKU-INIZCTEOSA-N 1 1 330.432 0.992 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nncn3c2)C1 ZINC001073819035 787261489 /nfs/dbraw/zinc/26/14/89/787261489.db2.gz WCMRHOKWMNEJTH-HNNXBMFYSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001074563992 787267928 /nfs/dbraw/zinc/26/79/28/787267928.db2.gz HZOSZSMKYYDFBT-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074565420 787271268 /nfs/dbraw/zinc/27/12/68/787271268.db2.gz GZPSIGZKAINGTA-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCO[C@H](CNC(=O)c3nnc[nH]3)C2)cc1 ZINC001073825513 787282578 /nfs/dbraw/zinc/28/25/78/787282578.db2.gz ODDUXKZZUXWZAR-OAHLLOKOSA-N 1 1 340.387 0.697 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001073832785 787305900 /nfs/dbraw/zinc/30/59/00/787305900.db2.gz SRWSBMPRUDJYFH-HNNXBMFYSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001073832785 787305911 /nfs/dbraw/zinc/30/59/11/787305911.db2.gz SRWSBMPRUDJYFH-HNNXBMFYSA-N 1 1 327.388 0.422 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074582272 787323066 /nfs/dbraw/zinc/32/30/66/787323066.db2.gz NNMNPMZZMZSPKD-UHFFFAOYSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001073847797 787347733 /nfs/dbraw/zinc/34/77/33/787347733.db2.gz KBTKWHDLGUAKSV-HUUCEWRRSA-N 1 1 347.419 0.084 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001074593285 787348866 /nfs/dbraw/zinc/34/88/66/787348866.db2.gz MTBOPBUONCCRMY-HNNXBMFYSA-N 1 1 335.448 0.067 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C)c1nnnn1C ZINC001074609815 787385569 /nfs/dbraw/zinc/38/55/69/787385569.db2.gz HBGJWWKQGSBORE-NHCYSSNCSA-N 1 1 328.380 0.364 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001073861882 787387083 /nfs/dbraw/zinc/38/70/83/787387083.db2.gz JONILTFBNOUUOT-CQSZACIVSA-N 1 1 332.404 0.448 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001073873525 787416655 /nfs/dbraw/zinc/41/66/55/787416655.db2.gz DBWJMCYPYMIRCP-MRXNPFEDSA-N 1 1 334.420 0.374 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001073877177 787421998 /nfs/dbraw/zinc/42/19/98/787421998.db2.gz XFKKEIFIBFEUPZ-OAHLLOKOSA-N 1 1 330.388 0.631 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001073877177 787422007 /nfs/dbraw/zinc/42/20/07/787422007.db2.gz XFKKEIFIBFEUPZ-OAHLLOKOSA-N 1 1 330.388 0.631 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001073885933 787435432 /nfs/dbraw/zinc/43/54/32/787435432.db2.gz CEBJBAFJDJKLKX-OAHLLOKOSA-N 1 1 336.436 0.008 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001073886221 787436077 /nfs/dbraw/zinc/43/60/77/787436077.db2.gz KETXWJPJUYOGBO-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001073886221 787436083 /nfs/dbraw/zinc/43/60/83/787436083.db2.gz KETXWJPJUYOGBO-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001073896687 787467733 /nfs/dbraw/zinc/46/77/33/787467733.db2.gz YMZJFPAQURGERA-CQSZACIVSA-N 1 1 346.431 0.967 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001073906418 787492516 /nfs/dbraw/zinc/49/25/16/787492516.db2.gz XDQHKDWQLDRNDI-CYBMUJFWSA-N 1 1 330.388 0.025 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001073908784 787497754 /nfs/dbraw/zinc/49/77/54/787497754.db2.gz WDWMDEIZBPVXHA-AWEZNQCLSA-N 1 1 330.388 0.025 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSCC#N)C[C@@H]1C ZINC001074089333 787851879 /nfs/dbraw/zinc/85/18/79/787851879.db2.gz CFRDZXLITPSPOY-KBPBESRZSA-N 1 1 340.493 0.938 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ccn(C)c4)C3)C2)C1=O ZINC001072618612 788443488 /nfs/dbraw/zinc/44/34/88/788443488.db2.gz RIEFDAHQSYOZKY-MRXNPFEDSA-N 1 1 342.443 0.960 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)CCO1 ZINC001072721555 788648093 /nfs/dbraw/zinc/64/80/93/788648093.db2.gz XHTXDZRHTNPYRQ-HNNXBMFYSA-N 1 1 345.443 0.181 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)CCO1 ZINC001072721555 788648096 /nfs/dbraw/zinc/64/80/96/788648096.db2.gz XHTXDZRHTNPYRQ-HNNXBMFYSA-N 1 1 345.443 0.181 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001074974755 788650032 /nfs/dbraw/zinc/65/00/32/788650032.db2.gz IUTYUQZPLGFLMP-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C)nc1 ZINC001072741443 788686688 /nfs/dbraw/zinc/68/66/88/788686688.db2.gz DMZGELBJVXOUSC-WMLDXEAASA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)nc1 ZINC001072741441 788686823 /nfs/dbraw/zinc/68/68/23/788686823.db2.gz DMZGELBJVXOUSC-PBHICJAKSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)nn1 ZINC001072742716 788693084 /nfs/dbraw/zinc/69/30/84/788693084.db2.gz UHWIIWQZRLNVQS-ZIAGYGMSSA-N 1 1 348.451 0.383 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001072797185 788816106 /nfs/dbraw/zinc/81/61/06/788816106.db2.gz OIJRWDWVZBUPFQ-INIZCTEOSA-N 1 1 349.475 0.982 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C2)C1 ZINC001072852807 788964930 /nfs/dbraw/zinc/96/49/30/788964930.db2.gz OZNRXLDNXHNPBL-UHFFFAOYSA-N 1 1 338.473 0.922 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1(C)CCN(C(=O)CSCC#N)CC1 ZINC001072889079 789036877 /nfs/dbraw/zinc/03/68/77/789036877.db2.gz MUTBLZQLZSAUQP-UHFFFAOYSA-N 1 1 349.460 0.946 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1(C)CCN(C(=O)CSCC#N)CC1 ZINC001072888861 789037209 /nfs/dbraw/zinc/03/72/09/789037209.db2.gz CRCFQWUTYBAWNE-UHFFFAOYSA-N 1 1 349.460 0.946 20 30 ECEDMO C#CCCCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001072922625 789120616 /nfs/dbraw/zinc/12/06/16/789120616.db2.gz UOSYFTSOZBLJSB-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCCCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001072922625 789120622 /nfs/dbraw/zinc/12/06/22/789120622.db2.gz UOSYFTSOZBLJSB-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4CNC(=O)N4)C3)C2)cc1 ZINC001072931237 789129747 /nfs/dbraw/zinc/12/97/47/789129747.db2.gz AKPCHEWXHJELEJ-OAHLLOKOSA-N 1 1 339.399 0.274 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001072994630 789245070 /nfs/dbraw/zinc/24/50/70/789245070.db2.gz KOBXZWACMJKGSC-KFWWJZLASA-N 1 1 333.432 0.390 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001072999574 789254326 /nfs/dbraw/zinc/25/43/26/789254326.db2.gz GBTBBUBXCTXPNW-KFWWJZLASA-N 1 1 333.432 0.343 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCN1CCCC1=O)C2 ZINC001072999782 789255362 /nfs/dbraw/zinc/25/53/62/789255362.db2.gz PZVJQJKMPNIYHP-CVEARBPZSA-N 1 1 347.459 0.734 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001075394935 789321441 /nfs/dbraw/zinc/32/14/41/789321441.db2.gz JAUQKAVNEWXFSF-ZBFHGGJFSA-N 1 1 346.431 0.748 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(=O)NC)C3)nn1 ZINC001073048812 789346446 /nfs/dbraw/zinc/34/64/46/789346446.db2.gz KAKIKDSKYDCEPR-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001073063331 789373435 /nfs/dbraw/zinc/37/34/35/789373435.db2.gz OXQJLGCHEPFFJN-BZUAXINKSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4nocc4C)C3)C2)C1=O ZINC001073107597 789451656 /nfs/dbraw/zinc/45/16/56/789451656.db2.gz VVFAXXGLDXYNAE-AWEZNQCLSA-N 1 1 344.415 0.918 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073107566 789452149 /nfs/dbraw/zinc/45/21/49/789452149.db2.gz UQUJWARWHWEDIC-OAHLLOKOSA-N 1 1 338.473 0.759 20 30 ECEDMO O=C(Cn1cnnn1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075531524 789462471 /nfs/dbraw/zinc/46/24/71/789462471.db2.gz PJXXSJGQAGTUFJ-DLBZAZTESA-N 1 1 336.399 0.258 20 30 ECEDMO O=C(Cn1cnnn1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075531524 789462478 /nfs/dbraw/zinc/46/24/78/789462478.db2.gz PJXXSJGQAGTUFJ-DLBZAZTESA-N 1 1 336.399 0.258 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C)no4)[C@@H]3C2)C1=O ZINC001075543435 789475245 /nfs/dbraw/zinc/47/52/45/789475245.db2.gz HFYASARYCYPHAY-SOUVJXGZSA-N 1 1 344.415 0.916 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001073124879 789482386 /nfs/dbraw/zinc/48/23/86/789482386.db2.gz FONQAXRWHCHQMI-BFHYXJOUSA-N 1 1 336.436 0.362 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001073124879 789482390 /nfs/dbraw/zinc/48/23/90/789482390.db2.gz FONQAXRWHCHQMI-BFHYXJOUSA-N 1 1 336.436 0.362 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC2(C1)CC[N@H+](CCOC)C2 ZINC001073135240 789505999 /nfs/dbraw/zinc/50/59/99/789505999.db2.gz BCZHZEFQJJYREP-UHFFFAOYSA-N 1 1 329.400 0.888 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001073152521 789535906 /nfs/dbraw/zinc/53/59/06/789535906.db2.gz HUTNODFOQXHZMR-KRWDZBQOSA-N 1 1 337.423 0.633 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC001075658661 789623804 /nfs/dbraw/zinc/62/38/04/789623804.db2.gz NDKNGGKACOMZFX-CWRNSKLLSA-N 1 1 341.415 0.653 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)c1 ZINC001075658449 789624111 /nfs/dbraw/zinc/62/41/11/789624111.db2.gz CTAOJTLAKHNADY-NWANDNLSSA-N 1 1 327.388 0.311 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001073260560 789669024 /nfs/dbraw/zinc/66/90/24/789669024.db2.gz NFPBJTHSCYGSFC-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO CCC1(NC(=O)C#CC2CC2)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001069272805 789724916 /nfs/dbraw/zinc/72/49/16/789724916.db2.gz FCJOPIZPKGXWBV-MRXNPFEDSA-N 1 1 347.459 0.618 20 30 ECEDMO CCC1(NC(=O)C#CC2CC2)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001069272805 789724921 /nfs/dbraw/zinc/72/49/21/789724921.db2.gz FCJOPIZPKGXWBV-MRXNPFEDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001073347358 789749030 /nfs/dbraw/zinc/74/90/30/789749030.db2.gz ONTDIHVGBCKFOO-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001073355462 789756873 /nfs/dbraw/zinc/75/68/73/789756873.db2.gz NSIXJJQWOYUERQ-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001073355462 789756879 /nfs/dbraw/zinc/75/68/79/789756879.db2.gz NSIXJJQWOYUERQ-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](Nc3ccnc(C#N)n3)C(C)(C)C2)C1 ZINC001069572087 789908206 /nfs/dbraw/zinc/90/82/06/789908206.db2.gz MOJVCKRVANCPLF-QWHCGFSZSA-N 1 1 328.420 0.371 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 ZINC001069830845 790064555 /nfs/dbraw/zinc/06/45/55/790064555.db2.gz HVVUGJFKQHSXBN-ZFWWWQNUSA-N 1 1 340.431 0.799 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3COC(=O)N3)c2C1 ZINC001069859109 790109934 /nfs/dbraw/zinc/10/99/34/790109934.db2.gz FURSMBFCYCXGAG-CYBMUJFWSA-N 1 1 333.392 0.390 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3COC(=O)N3)c2C1 ZINC001069859109 790109936 /nfs/dbraw/zinc/10/99/36/790109936.db2.gz FURSMBFCYCXGAG-CYBMUJFWSA-N 1 1 333.392 0.390 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3C[C@H]3C(N)=O)c2C1 ZINC001069874065 790136356 /nfs/dbraw/zinc/13/63/56/790136356.db2.gz JWHOZIOZNNVVIM-KGLIPLIRSA-N 1 1 331.420 0.403 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3C[C@H]3C(N)=O)c2C1 ZINC001069874065 790136358 /nfs/dbraw/zinc/13/63/58/790136358.db2.gz JWHOZIOZNNVVIM-KGLIPLIRSA-N 1 1 331.420 0.403 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069898427 790166190 /nfs/dbraw/zinc/16/61/90/790166190.db2.gz MHEAXUNZTZQQTO-CABCVRRESA-N 1 1 329.408 0.795 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931403 790204146 /nfs/dbraw/zinc/20/41/46/790204146.db2.gz FGZBIVHUNUMRGI-HZMVEIRTSA-N 1 1 344.463 0.373 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931403 790204148 /nfs/dbraw/zinc/20/41/48/790204148.db2.gz FGZBIVHUNUMRGI-HZMVEIRTSA-N 1 1 344.463 0.373 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931403 790204156 /nfs/dbraw/zinc/20/41/56/790204156.db2.gz FGZBIVHUNUMRGI-HZMVEIRTSA-N 1 1 344.463 0.373 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069943467 790220818 /nfs/dbraw/zinc/22/08/18/790220818.db2.gz UVLBPLGSDRSVGS-HIFRSBDPSA-N 1 1 327.392 0.262 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069943467 790220819 /nfs/dbraw/zinc/22/08/19/790220819.db2.gz UVLBPLGSDRSVGS-HIFRSBDPSA-N 1 1 327.392 0.262 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001069945325 790223125 /nfs/dbraw/zinc/22/31/25/790223125.db2.gz JHSHRVAELWAACQ-ZNMIVQPWSA-N 1 1 346.435 0.112 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069955871 790237814 /nfs/dbraw/zinc/23/78/14/790237814.db2.gz QYFCGMMKLSPESG-KGLIPLIRSA-N 1 1 343.391 0.079 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069955871 790237817 /nfs/dbraw/zinc/23/78/17/790237817.db2.gz QYFCGMMKLSPESG-KGLIPLIRSA-N 1 1 343.391 0.079 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccn23)[C@@H](n2ccnn2)C1 ZINC001069964408 790249391 /nfs/dbraw/zinc/24/93/91/790249391.db2.gz LBZCAOYFKNMACI-HIFRSBDPSA-N 1 1 337.387 0.767 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc3ccccn23)[C@@H](n2ccnn2)C1 ZINC001069964408 790249395 /nfs/dbraw/zinc/24/93/95/790249395.db2.gz LBZCAOYFKNMACI-HIFRSBDPSA-N 1 1 337.387 0.767 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC(C)C)CO2 ZINC001068859790 791282420 /nfs/dbraw/zinc/28/24/20/791282420.db2.gz VYLGXAWWFDMUAI-OAHLLOKOSA-N 1 1 344.415 0.337 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2nccnc2C#N)[C@H]1C ZINC001068862011 791290821 /nfs/dbraw/zinc/29/08/21/791290821.db2.gz QLZBKLRHOYSTBO-DGCLKSJQSA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)[C@@H]1C ZINC001068862193 791291773 /nfs/dbraw/zinc/29/17/73/791291773.db2.gz VOHOXKDHIINCPC-SMDDNHRTSA-N 1 1 325.376 0.955 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001068940253 791468254 /nfs/dbraw/zinc/46/82/54/791468254.db2.gz LPVAZAQMGCGAKS-ZIAGYGMSSA-N 1 1 336.436 0.364 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068940360 791469171 /nfs/dbraw/zinc/46/91/71/791469171.db2.gz MWKFTWMMRBDDKM-MRXNPFEDSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@@H+](CC(=O)N1CCO[C@H](CNc2ccncc2C#N)C1)C1CCC1 ZINC001066687237 791989393 /nfs/dbraw/zinc/98/93/93/791989393.db2.gz IJVBLWIUNAVSLD-MRXNPFEDSA-N 1 1 343.431 0.499 20 30 ECEDMO CCCC(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066698406 792019039 /nfs/dbraw/zinc/01/90/39/792019039.db2.gz KUVOTGYLODSWLQ-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO CO[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066699299 792023799 /nfs/dbraw/zinc/02/37/99/792023799.db2.gz WTJLTWLZXHSHBN-WMLDXEAASA-N 1 1 343.431 0.711 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)CC2)C1 ZINC001066737011 792072616 /nfs/dbraw/zinc/07/26/16/792072616.db2.gz YIIIWHJOFLTHCF-WBVHZDCISA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)CC2)C1 ZINC001066737011 792072623 /nfs/dbraw/zinc/07/26/23/792072623.db2.gz YIIIWHJOFLTHCF-WBVHZDCISA-N 1 1 343.431 0.759 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1CN(C)c1cnc(C#N)cn1 ZINC001067763228 792246242 /nfs/dbraw/zinc/24/62/42/792246242.db2.gz SWCNBNYRPCFCDS-OAHLLOKOSA-N 1 1 339.403 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNc2nccnc2C#N)C1 ZINC001067897791 792441086 /nfs/dbraw/zinc/44/10/86/792441086.db2.gz KSYYVKZLKANSNL-XUJLQICISA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNc2nccnc2C#N)C1 ZINC001067897791 792441093 /nfs/dbraw/zinc/44/10/93/792441093.db2.gz KSYYVKZLKANSNL-XUJLQICISA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)COCC=C ZINC001067000781 792543266 /nfs/dbraw/zinc/54/32/66/792543266.db2.gz YUNZDOADWJNNAS-INIZCTEOSA-N 1 1 335.448 0.594 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)COCC=C ZINC001067000781 792543274 /nfs/dbraw/zinc/54/32/74/792543274.db2.gz YUNZDOADWJNNAS-INIZCTEOSA-N 1 1 335.448 0.594 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1cc(C#N)c[nH]1 ZINC001067007763 792562084 /nfs/dbraw/zinc/56/20/84/792562084.db2.gz LYICPXJEEDCAAF-HNNXBMFYSA-N 1 1 331.420 0.901 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(c2nccnc2C#N)CC1(C)C ZINC001068098775 792667861 /nfs/dbraw/zinc/66/78/61/792667861.db2.gz JHMSMARRHAVABG-KBPBESRZSA-N 1 1 328.420 0.773 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1ccc(C#N)nc1 ZINC001067118682 792717008 /nfs/dbraw/zinc/71/70/08/792717008.db2.gz ONXPKBRRBKEFPC-PBHICJAKSA-N 1 1 343.431 0.934 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)n1 ZINC001068157309 792757056 /nfs/dbraw/zinc/75/70/56/792757056.db2.gz CLMOYWSTYWUKKB-JONQDZQNSA-N 1 1 340.431 0.549 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001068158817 792758960 /nfs/dbraw/zinc/75/89/60/792758960.db2.gz XCHPLEALYOSJAS-MPTYRVRUSA-N 1 1 325.416 0.846 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1C ZINC001067420778 793129405 /nfs/dbraw/zinc/12/94/05/793129405.db2.gz NTYCOUKBXFKCCH-GXTWGEPZSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCCCCC(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068383239 793164141 /nfs/dbraw/zinc/16/41/41/793164141.db2.gz JDTFINZEIZCAHF-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001068389282 793182529 /nfs/dbraw/zinc/18/25/29/793182529.db2.gz BFQPNEYLMYPXAM-HZPDHXFCSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001068389624 793184303 /nfs/dbraw/zinc/18/43/03/793184303.db2.gz MMXUFVZSJIWWGN-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001068398686 793214445 /nfs/dbraw/zinc/21/44/45/793214445.db2.gz AKAKSSLHCQVIHQ-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001267481576 837535701 /nfs/dbraw/zinc/53/57/01/837535701.db2.gz JHSYODDUKIXAQI-JKSUJKDBSA-N 1 1 344.463 0.962 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1csnn1)c1ccccc1 ZINC001267519525 837667082 /nfs/dbraw/zinc/66/70/82/837667082.db2.gz JJNHGSSCHPBNNJ-ZDUSSCGKSA-N 1 1 343.412 0.348 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]([NH2+]CC(=O)NC)c2ccccc2)nc1 ZINC001267524950 837685532 /nfs/dbraw/zinc/68/55/32/837685532.db2.gz IFKHQXQYXBVGIO-KRWDZBQOSA-N 1 1 336.395 0.870 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cncnc2)C1 ZINC001267525000 837686856 /nfs/dbraw/zinc/68/68/56/837686856.db2.gz XJRUJFLAYCBZNE-KBPBESRZSA-N 1 1 331.420 0.609 20 30 ECEDMO CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001267530040 837702491 /nfs/dbraw/zinc/70/24/91/837702491.db2.gz XCUSDLZUVDUPGU-OKILXGFUSA-N 1 1 346.431 0.263 20 30 ECEDMO CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC001267530040 837702498 /nfs/dbraw/zinc/70/24/98/837702498.db2.gz XCUSDLZUVDUPGU-OKILXGFUSA-N 1 1 346.431 0.263 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001267545194 837735226 /nfs/dbraw/zinc/73/52/26/837735226.db2.gz PMJRHZGIGOTINS-ROUUACIJSA-N 1 1 349.475 0.723 20 30 ECEDMO CCCc1n[nH]cc1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267545765 837738060 /nfs/dbraw/zinc/73/80/60/837738060.db2.gz WVIBNSAPZNREHH-CYBMUJFWSA-N 1 1 346.435 0.444 20 30 ECEDMO CC#CCCCC(=O)N(CCC)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001267546611 837740004 /nfs/dbraw/zinc/74/00/04/837740004.db2.gz RCMULEUDEUMUAS-AWEZNQCLSA-N 1 1 336.436 0.688 20 30 ECEDMO CC#CCCCC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001267546611 837740011 /nfs/dbraw/zinc/74/00/11/837740011.db2.gz RCMULEUDEUMUAS-AWEZNQCLSA-N 1 1 336.436 0.688 20 30 ECEDMO CCOc1cc(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)on1 ZINC001267551712 837753161 /nfs/dbraw/zinc/75/31/61/837753161.db2.gz HACZMUIMBLQJTP-LBPRGKRZSA-N 1 1 349.391 0.155 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001267553252 837756540 /nfs/dbraw/zinc/75/65/40/837756540.db2.gz CTTRILUKWXKSSX-RISCZKNCSA-N 1 1 343.387 0.133 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001267561591 837773713 /nfs/dbraw/zinc/77/37/13/837773713.db2.gz GMOFOSFERUYPAT-VXGBXAGGSA-N 1 1 333.354 0.762 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC001267572915 837811723 /nfs/dbraw/zinc/81/17/23/837811723.db2.gz BHLUXZUIPACQOK-UHFFFAOYSA-N 1 1 331.464 0.961 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC001267576125 837828917 /nfs/dbraw/zinc/82/89/17/837828917.db2.gz RLUUDSZCCJUJIB-UHFFFAOYSA-N 1 1 342.443 0.599 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C2(C(C)(F)F)CC2)C1 ZINC001267576758 837832355 /nfs/dbraw/zinc/83/23/55/837832355.db2.gz XPNFQHGFZBQIPF-CYBMUJFWSA-N 1 1 341.402 0.999 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COC)C1 ZINC001266245595 835550808 /nfs/dbraw/zinc/55/08/08/835550808.db2.gz CZNYUXFLCSYKID-CABCVRRESA-N 1 1 349.431 0.848 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCOCC)C1 ZINC001266251914 835556492 /nfs/dbraw/zinc/55/64/92/835556492.db2.gz IMHYCZWJTIXTAC-AWEZNQCLSA-N 1 1 340.468 0.867 20 30 ECEDMO C=C(Cl)CN1CC[NH+](CCCNC(=O)C[C@H]2COC(=O)C2)CC1 ZINC001266259548 835566672 /nfs/dbraw/zinc/56/66/72/835566672.db2.gz HKQNUMRYFINCLG-CQSZACIVSA-N 1 1 343.855 0.816 20 30 ECEDMO CO[C@H](C)CN1CC[NH+](CCCNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001266259402 835566892 /nfs/dbraw/zinc/56/68/92/835566892.db2.gz BKHHEYGPULWRPR-CQSZACIVSA-N 1 1 333.436 0.659 20 30 ECEDMO CC(C)NC(=O)CN1CC[NH+](CCCNC(=O)C#CC2CC2)CC1 ZINC001266262061 835572025 /nfs/dbraw/zinc/57/20/25/835572025.db2.gz ASDKPNCMNTZSRF-UHFFFAOYSA-N 1 1 334.464 0.048 20 30 ECEDMO CC#CCN1CCN(CCCNC(=O)c2cnn(C)c2Cl)CC1 ZINC001266266770 835581351 /nfs/dbraw/zinc/58/13/51/835581351.db2.gz CEOCUNOKWJPQGC-UHFFFAOYSA-N 1 1 337.855 0.834 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cc(-c3ccn(C)c3)n[nH]2)CC1 ZINC001266285799 835621091 /nfs/dbraw/zinc/62/10/91/835621091.db2.gz NOMYAAPBPFLKLZ-UHFFFAOYSA-N 1 1 340.431 0.396 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001266288007 835630847 /nfs/dbraw/zinc/63/08/47/835630847.db2.gz OAPXHFDFSFBEFT-UHFFFAOYSA-N 1 1 348.834 0.646 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn2cc(C)ccc2n1 ZINC001266289011 835632972 /nfs/dbraw/zinc/63/29/72/835632972.db2.gz YBTUWUCDZCEFSX-CQSZACIVSA-N 1 1 341.415 0.442 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn2cc(C)ccc2n1 ZINC001266289011 835632974 /nfs/dbraw/zinc/63/29/74/835632974.db2.gz YBTUWUCDZCEFSX-CQSZACIVSA-N 1 1 341.415 0.442 20 30 ECEDMO CC(C)OCC(=O)NC1(C2CC[NH+](CC(=O)NCC#N)CC2)CC1 ZINC001279352756 835645216 /nfs/dbraw/zinc/64/52/16/835645216.db2.gz LWDCVPIKKTYEAZ-UHFFFAOYSA-N 1 1 336.436 0.412 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ncc2ccccn21 ZINC001266298022 835651659 /nfs/dbraw/zinc/65/16/59/835651659.db2.gz XRKILDYBQUZXPY-ZDUSSCGKSA-N 1 1 327.388 0.134 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ncc2ccccn21 ZINC001266298022 835651665 /nfs/dbraw/zinc/65/16/65/835651665.db2.gz XRKILDYBQUZXPY-ZDUSSCGKSA-N 1 1 327.388 0.134 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001266310851 835677516 /nfs/dbraw/zinc/67/75/16/835677516.db2.gz MNCUOKVTQRMWIA-HZPDHXFCSA-N 1 1 335.448 0.804 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001266310851 835677519 /nfs/dbraw/zinc/67/75/19/835677519.db2.gz MNCUOKVTQRMWIA-HZPDHXFCSA-N 1 1 335.448 0.804 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC001266318024 835686661 /nfs/dbraw/zinc/68/66/61/835686661.db2.gz XQRNHJCUVSYEND-JKSUJKDBSA-N 1 1 338.448 0.537 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001266333654 835716287 /nfs/dbraw/zinc/71/62/87/835716287.db2.gz RMXNVTKCUVSHQZ-AAEUAGOBSA-N 1 1 344.423 0.853 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CCn3ccnc3)C2)C1=O ZINC001266333586 835716461 /nfs/dbraw/zinc/71/64/61/835716461.db2.gz QDPDZJUDLZNFGP-HUUCEWRRSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CCn3ccnc3)C2)C1=O ZINC001266333586 835716462 /nfs/dbraw/zinc/71/64/62/835716462.db2.gz QDPDZJUDLZNFGP-HUUCEWRRSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N2CCCCC2)nn1 ZINC001266335319 835718036 /nfs/dbraw/zinc/71/80/36/835718036.db2.gz QVZQCTYELOZJIT-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N2CCCCC2)nn1 ZINC001266335319 835718043 /nfs/dbraw/zinc/71/80/43/835718043.db2.gz QVZQCTYELOZJIT-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)CC(=O)NCC(F)(F)F ZINC001282479704 835726941 /nfs/dbraw/zinc/72/69/41/835726941.db2.gz ZSFUSVNFISLDIT-NSHDSACASA-N 1 1 337.342 0.141 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001266344092 835732096 /nfs/dbraw/zinc/73/20/96/835732096.db2.gz CPCXWNMRDLTCRQ-WBVHZDCISA-N 1 1 345.447 0.946 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001266344092 835732106 /nfs/dbraw/zinc/73/21/06/835732106.db2.gz CPCXWNMRDLTCRQ-WBVHZDCISA-N 1 1 345.447 0.946 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001266345204 835734723 /nfs/dbraw/zinc/73/47/23/835734723.db2.gz PVDUNLZOINXJKW-HZPDHXFCSA-N 1 1 333.436 0.582 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001266345204 835734728 /nfs/dbraw/zinc/73/47/28/835734728.db2.gz PVDUNLZOINXJKW-HZPDHXFCSA-N 1 1 333.436 0.582 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001266359339 835768823 /nfs/dbraw/zinc/76/88/23/835768823.db2.gz SZTJTGBRNZFQFS-HUUCEWRRSA-N 1 1 330.432 0.584 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001266359339 835768834 /nfs/dbraw/zinc/76/88/34/835768834.db2.gz SZTJTGBRNZFQFS-HUUCEWRRSA-N 1 1 330.432 0.584 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266361903 835772380 /nfs/dbraw/zinc/77/23/80/835772380.db2.gz URVCVQFPKQTIHL-AEFFLSMTSA-N 1 1 337.423 0.757 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266361903 835772391 /nfs/dbraw/zinc/77/23/91/835772391.db2.gz URVCVQFPKQTIHL-AEFFLSMTSA-N 1 1 337.423 0.757 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)Cc2ccsc2)CC1 ZINC001266363846 835774953 /nfs/dbraw/zinc/77/49/53/835774953.db2.gz NZHKTQKOYXLPKI-CQSZACIVSA-N 1 1 346.456 0.901 20 30 ECEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)Cn1cnnn1 ZINC001266375815 835788657 /nfs/dbraw/zinc/78/86/57/835788657.db2.gz VPFSUCNVHNWDJM-UHFFFAOYSA-N 1 1 346.822 0.816 20 30 ECEDMO CC[N@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)Cn1cnnn1 ZINC001266375815 835788665 /nfs/dbraw/zinc/78/86/65/835788665.db2.gz VPFSUCNVHNWDJM-UHFFFAOYSA-N 1 1 346.822 0.816 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2cc(C)ncn2)C1=O ZINC001266386178 835796589 /nfs/dbraw/zinc/79/65/89/835796589.db2.gz VDWRHOUAFDVNPD-OAHLLOKOSA-N 1 1 331.420 0.624 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ccc2[nH]nc(C)c2c1)CC(=O)NCC#N ZINC001266400315 835807845 /nfs/dbraw/zinc/80/78/45/835807845.db2.gz HRHBLJSWOSZLDQ-UHFFFAOYSA-N 1 1 342.403 0.563 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ccc2[nH]nc(C)c2c1)CC(=O)NCC#N ZINC001266400315 835807852 /nfs/dbraw/zinc/80/78/52/835807852.db2.gz HRHBLJSWOSZLDQ-UHFFFAOYSA-N 1 1 342.403 0.563 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cc2cc(F)ccc2[nH]1)CC(=O)NCC#N ZINC001266406183 835812237 /nfs/dbraw/zinc/81/22/37/835812237.db2.gz WRLYBRGOZOFOGK-UHFFFAOYSA-N 1 1 345.378 0.998 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cc2cc(F)ccc2[nH]1)CC(=O)NCC#N ZINC001266406183 835812246 /nfs/dbraw/zinc/81/22/46/835812246.db2.gz WRLYBRGOZOFOGK-UHFFFAOYSA-N 1 1 345.378 0.998 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CC)[C@H]2CCN(CC=C)C2=O)c1 ZINC001266416380 835821349 /nfs/dbraw/zinc/82/13/49/835821349.db2.gz HIPIGIRLRLVELK-KRWDZBQOSA-N 1 1 340.427 0.902 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001266449003 835852742 /nfs/dbraw/zinc/85/27/42/835852742.db2.gz XMSOVCONYRVTBB-UONOGXRCSA-N 1 1 331.420 0.332 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001266449003 835852751 /nfs/dbraw/zinc/85/27/51/835852751.db2.gz XMSOVCONYRVTBB-UONOGXRCSA-N 1 1 331.420 0.332 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001266449003 835852760 /nfs/dbraw/zinc/85/27/60/835852760.db2.gz XMSOVCONYRVTBB-UONOGXRCSA-N 1 1 331.420 0.332 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001266455426 835857572 /nfs/dbraw/zinc/85/75/72/835857572.db2.gz DQSVGXSOQYUXQO-CABCVRRESA-N 1 1 338.452 0.254 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2nccc(C)n2)C1 ZINC001266456088 835859768 /nfs/dbraw/zinc/85/97/68/835859768.db2.gz QLHZARVEICQSMX-HNNXBMFYSA-N 1 1 343.431 0.318 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN(C(=O)c2ccns2)C1 ZINC001266459321 835861847 /nfs/dbraw/zinc/86/18/47/835861847.db2.gz OAHGUNPLWLXHHF-LBPRGKRZSA-N 1 1 335.433 0.567 20 30 ECEDMO CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001266461081 835862289 /nfs/dbraw/zinc/86/22/89/835862289.db2.gz JAJPIDCCCJXXMB-OAHLLOKOSA-N 1 1 341.477 0.310 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001266466868 835869233 /nfs/dbraw/zinc/86/92/33/835869233.db2.gz XTWSVVIDNSQGHR-MAUKXSAKSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2nccs2)C1 ZINC001266469662 835871112 /nfs/dbraw/zinc/87/11/12/835871112.db2.gz QDCHCODWIXXZBE-CYBMUJFWSA-N 1 1 334.445 0.677 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001266472299 835876447 /nfs/dbraw/zinc/87/64/47/835876447.db2.gz HGUNCXBLPOZTRR-CQSZACIVSA-N 1 1 344.415 0.321 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccncn1 ZINC001266485493 835885588 /nfs/dbraw/zinc/88/55/88/835885588.db2.gz CWTVVHBVWIWXPS-HNNXBMFYSA-N 1 1 343.431 0.871 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccncn1 ZINC001266485493 835885594 /nfs/dbraw/zinc/88/55/94/835885594.db2.gz CWTVVHBVWIWXPS-HNNXBMFYSA-N 1 1 343.431 0.871 20 30 ECEDMO C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 ZINC001266491197 835890630 /nfs/dbraw/zinc/89/06/30/835890630.db2.gz GWPSDXYPXOBPTC-CALCHBBNSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(N)=O ZINC001266502090 835903531 /nfs/dbraw/zinc/90/35/31/835903531.db2.gz VROYLBHQHKYZCK-ZNMIVQPWSA-N 1 1 336.436 0.407 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(N)=O ZINC001266502090 835903541 /nfs/dbraw/zinc/90/35/41/835903541.db2.gz VROYLBHQHKYZCK-ZNMIVQPWSA-N 1 1 336.436 0.407 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001266511030 835918205 /nfs/dbraw/zinc/91/82/05/835918205.db2.gz IKZMSEOCKKKGIO-JKSUJKDBSA-N 1 1 340.489 0.909 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001266513947 835924724 /nfs/dbraw/zinc/92/47/24/835924724.db2.gz JDFNXTDKNMKYNA-HZPDHXFCSA-N 1 1 332.448 0.922 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 ZINC001266520298 835933238 /nfs/dbraw/zinc/93/32/38/835933238.db2.gz KDMAHYDDRQUOPP-CYBMUJFWSA-N 1 1 349.435 0.090 20 30 ECEDMO CC(C)n1cnc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001266523695 835938484 /nfs/dbraw/zinc/93/84/84/835938484.db2.gz SUBGXJHJNBTOGV-CYBMUJFWSA-N 1 1 332.408 0.155 20 30 ECEDMO CC(C)n1cnc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001266523695 835938491 /nfs/dbraw/zinc/93/84/91/835938491.db2.gz SUBGXJHJNBTOGV-CYBMUJFWSA-N 1 1 332.408 0.155 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 ZINC001266544398 835965565 /nfs/dbraw/zinc/96/55/65/835965565.db2.gz ANIFXJADYWYIIE-ZIAGYGMSSA-N 1 1 340.468 0.710 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cnc2C)C1 ZINC001266546679 835967757 /nfs/dbraw/zinc/96/77/57/835967757.db2.gz VFEGPIQFDZYZID-KGLIPLIRSA-N 1 1 333.436 0.389 20 30 ECEDMO Cc1ccc(CC(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)cn1 ZINC001266548765 835971212 /nfs/dbraw/zinc/97/12/12/835971212.db2.gz GYJHIRRJRCLHOT-OAHLLOKOSA-N 1 1 329.404 0.010 20 30 ECEDMO Cc1ccc(CC(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cn1 ZINC001266548765 835971216 /nfs/dbraw/zinc/97/12/16/835971216.db2.gz GYJHIRRJRCLHOT-OAHLLOKOSA-N 1 1 329.404 0.010 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCNC(=O)c2cccc(=O)[nH]2)C2CC2)C1=O ZINC001266588634 836018759 /nfs/dbraw/zinc/01/87/59/836018759.db2.gz UUMFLWWOTMFBJG-OAHLLOKOSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCNC(=O)c2cccc(=O)[nH]2)C2CC2)C1=O ZINC001266588634 836018771 /nfs/dbraw/zinc/01/87/71/836018771.db2.gz UUMFLWWOTMFBJG-OAHLLOKOSA-N 1 1 344.415 0.768 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001266593187 836024239 /nfs/dbraw/zinc/02/42/39/836024239.db2.gz AFJQZONUNLBHCV-XUXIUFHCSA-N 1 1 343.431 0.204 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C1CC1)[C@@H]1CCN(CC)C1=O ZINC001266597273 836028737 /nfs/dbraw/zinc/02/87/37/836028737.db2.gz XZAQWHBFVWULJB-DLBZAZTESA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCN(CC)C1=O ZINC001266597273 836028748 /nfs/dbraw/zinc/02/87/48/836028748.db2.gz XZAQWHBFVWULJB-DLBZAZTESA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1n[nH]c2c1CCCC2)C1CC1 ZINC001266599962 836033438 /nfs/dbraw/zinc/03/34/38/836033438.db2.gz DKFHXNSCGQDSEV-UHFFFAOYSA-N 1 1 343.431 0.232 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1n[nH]c2c1CCCC2)C1CC1 ZINC001266599962 836033449 /nfs/dbraw/zinc/03/34/49/836033449.db2.gz DKFHXNSCGQDSEV-UHFFFAOYSA-N 1 1 343.431 0.232 20 30 ECEDMO COc1nc(C)ccc1C(=O)NCC[N@H+](CC(=O)NCC#N)C1CC1 ZINC001266613932 836048010 /nfs/dbraw/zinc/04/80/10/836048010.db2.gz MBKYTYWLGHYRNM-UHFFFAOYSA-N 1 1 345.403 0.233 20 30 ECEDMO COc1nc(C)ccc1C(=O)NCC[N@@H+](CC(=O)NCC#N)C1CC1 ZINC001266613932 836048023 /nfs/dbraw/zinc/04/80/23/836048023.db2.gz MBKYTYWLGHYRNM-UHFFFAOYSA-N 1 1 345.403 0.233 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CNC(=O)OC)C1 ZINC001266655991 836091383 /nfs/dbraw/zinc/09/13/83/836091383.db2.gz LTIHXPMLMBCHFL-CABCVRRESA-N 1 1 339.436 0.858 20 30 ECEDMO CCCOCC(=O)N1CCC[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266658759 836094247 /nfs/dbraw/zinc/09/42/47/836094247.db2.gz IHDKEADGBPADQR-CABCVRRESA-N 1 1 336.436 0.366 20 30 ECEDMO CCCOCC(=O)N1CCC[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266658759 836094250 /nfs/dbraw/zinc/09/42/50/836094250.db2.gz IHDKEADGBPADQR-CABCVRRESA-N 1 1 336.436 0.366 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2[nH]ccc2C)C1 ZINC001266658889 836094892 /nfs/dbraw/zinc/09/48/92/836094892.db2.gz JSVJKZZCBOQYHY-HZPDHXFCSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2cnns2)C1 ZINC001266740005 836223283 /nfs/dbraw/zinc/22/32/83/836223283.db2.gz ICDQNMFSZNGLHZ-VXGBXAGGSA-N 1 1 335.433 0.118 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001266746071 836233593 /nfs/dbraw/zinc/23/35/93/836233593.db2.gz BOOGHJRFFJUBKU-KDOFPFPSSA-N 1 1 335.448 0.115 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=O)N(C)CC)C1 ZINC001266760927 836261513 /nfs/dbraw/zinc/26/15/13/836261513.db2.gz PEOKQSLTYJALDJ-OAGGEKHMSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001266894338 836445647 /nfs/dbraw/zinc/44/56/47/836445647.db2.gz IEABHBPMNDJNKP-KGLIPLIRSA-N 1 1 345.509 0.965 20 30 ECEDMO C[C@H](NC(=O)c1ccc(=O)[nH]c1)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266896698 836447763 /nfs/dbraw/zinc/44/77/63/836447763.db2.gz FWQRNZPGCJGHFL-JSGCOSHPSA-N 1 1 345.403 0.257 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2nonc2C)C1 ZINC001266898265 836450744 /nfs/dbraw/zinc/45/07/44/836450744.db2.gz UICFEUDDVJVZHH-DZGCQCFKSA-N 1 1 334.420 0.787 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]1CCC ZINC001266902146 836457126 /nfs/dbraw/zinc/45/71/26/836457126.db2.gz LXBVGYUASYJUHA-OCABDXPQSA-N 1 1 331.460 0.999 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]1CCC ZINC001266902146 836457130 /nfs/dbraw/zinc/45/71/30/836457130.db2.gz LXBVGYUASYJUHA-OCABDXPQSA-N 1 1 331.460 0.999 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001266903393 836459591 /nfs/dbraw/zinc/45/95/91/836459591.db2.gz JZAKESBGYPWJDU-NRKLIOEPSA-N 1 1 348.491 0.291 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001266904786 836462133 /nfs/dbraw/zinc/46/21/33/836462133.db2.gz KCKGUTNSZAVOQN-NPCUJANDSA-N 1 1 330.432 0.499 20 30 ECEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001266904786 836462135 /nfs/dbraw/zinc/46/21/35/836462135.db2.gz KCKGUTNSZAVOQN-NPCUJANDSA-N 1 1 330.432 0.499 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001266904784 836462268 /nfs/dbraw/zinc/46/22/68/836462268.db2.gz KCKGUTNSZAVOQN-NBFUAULTSA-N 1 1 330.432 0.499 20 30 ECEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001266904784 836462271 /nfs/dbraw/zinc/46/22/71/836462271.db2.gz KCKGUTNSZAVOQN-NBFUAULTSA-N 1 1 330.432 0.499 20 30 ECEDMO C[C@@H]1CC[C@@H](CCC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)O1 ZINC001266906196 836463869 /nfs/dbraw/zinc/46/38/69/836463869.db2.gz OREZFMLWUARDGB-RBUCKAEESA-N 1 1 334.420 0.020 20 30 ECEDMO C[C@@H]1CC[C@@H](CCC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)O1 ZINC001266906196 836463877 /nfs/dbraw/zinc/46/38/77/836463877.db2.gz OREZFMLWUARDGB-RBUCKAEESA-N 1 1 334.420 0.020 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC001266951503 836517791 /nfs/dbraw/zinc/51/77/91/836517791.db2.gz UWZMYGITMVQWJG-OLZOCXBDSA-N 1 1 337.855 0.765 20 30 ECEDMO COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001267111230 836797453 /nfs/dbraw/zinc/79/74/53/836797453.db2.gz NHKHGDBWCQMSJU-CYBMUJFWSA-N 1 1 332.404 0.300 20 30 ECEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001267112881 836801105 /nfs/dbraw/zinc/80/11/05/836801105.db2.gz YQBUNDJQVHPKCX-CQSZACIVSA-N 1 1 348.447 0.587 20 30 ECEDMO CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001267113595 836803552 /nfs/dbraw/zinc/80/35/52/836803552.db2.gz OFLJVVMDOLOLOP-ZDUSSCGKSA-N 1 1 332.404 0.685 20 30 ECEDMO COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cnn3cc[nH]c23)C1 ZINC001267115064 836808402 /nfs/dbraw/zinc/80/84/02/836808402.db2.gz QAYXCFQKLHKCLD-AWEZNQCLSA-N 1 1 329.404 0.849 20 30 ECEDMO CCc1cc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)nn1C ZINC001267117246 836814221 /nfs/dbraw/zinc/81/42/21/836814221.db2.gz QVKYMNAHMIDPTN-CQSZACIVSA-N 1 1 346.435 0.159 20 30 ECEDMO CCc1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)nn1C ZINC001267117246 836814230 /nfs/dbraw/zinc/81/42/30/836814230.db2.gz QVKYMNAHMIDPTN-CQSZACIVSA-N 1 1 346.435 0.159 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1nnc2n1CCOC2 ZINC001267162691 836880355 /nfs/dbraw/zinc/88/03/55/836880355.db2.gz HONDBAZCACNFIB-UONOGXRCSA-N 1 1 346.435 0.829 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1nnc2n1CCOC2 ZINC001267162691 836880360 /nfs/dbraw/zinc/88/03/60/836880360.db2.gz HONDBAZCACNFIB-UONOGXRCSA-N 1 1 346.435 0.829 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc(F)nc1 ZINC001267162712 836880697 /nfs/dbraw/zinc/88/06/97/836880697.db2.gz HTYCQAIFNUYCPF-CQSZACIVSA-N 1 1 347.394 0.835 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1cnoc1 ZINC001267174531 836912516 /nfs/dbraw/zinc/91/25/16/836912516.db2.gz LXCOWKSSFJFEDG-OAHLLOKOSA-N 1 1 332.404 0.327 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001267175162 836914469 /nfs/dbraw/zinc/91/44/69/836914469.db2.gz PHHKRGNMNUYXJC-LSDHHAIUSA-N 1 1 329.448 0.914 20 30 ECEDMO CC(C)C#CC(=O)NCC[N@@H+](C)C[C@@H](O)COC1CCOCC1 ZINC001267194698 836958877 /nfs/dbraw/zinc/95/88/77/836958877.db2.gz DEJZXASRLARLRO-OAHLLOKOSA-N 1 1 326.437 0.250 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001267195676 836960754 /nfs/dbraw/zinc/96/07/54/836960754.db2.gz JRFGKPARHLPLPE-STQMWFEESA-N 1 1 333.436 0.568 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001267195676 836960764 /nfs/dbraw/zinc/96/07/64/836960764.db2.gz JRFGKPARHLPLPE-STQMWFEESA-N 1 1 333.436 0.568 20 30 ECEDMO COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001267200748 836976487 /nfs/dbraw/zinc/97/64/87/836976487.db2.gz GRSJGHNGCYUZHI-ZDUSSCGKSA-N 1 1 334.420 0.606 20 30 ECEDMO CNC(=O)C1(C(=O)NCC[N@@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC001267221451 837014434 /nfs/dbraw/zinc/01/44/34/837014434.db2.gz IYNOKXLUCBGBBN-UHFFFAOYSA-N 1 1 332.379 0.772 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cnn2c1OCCC2 ZINC001267245438 837058659 /nfs/dbraw/zinc/05/86/59/837058659.db2.gz KJKJOKBOBHXZCC-CYBMUJFWSA-N 1 1 349.435 0.408 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cnn2c1OCCC2 ZINC001267245438 837058673 /nfs/dbraw/zinc/05/86/73/837058673.db2.gz KJKJOKBOBHXZCC-CYBMUJFWSA-N 1 1 349.435 0.408 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1ccc2c(c1)nnn2C ZINC001267246132 837061482 /nfs/dbraw/zinc/06/14/82/837061482.db2.gz RLGFDNUNQXHPRL-UHFFFAOYSA-N 1 1 344.419 0.322 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ccc2c(c1)nnn2C ZINC001267246132 837061492 /nfs/dbraw/zinc/06/14/92/837061492.db2.gz RLGFDNUNQXHPRL-UHFFFAOYSA-N 1 1 344.419 0.322 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC)[C@@H]2CCN(CC=C)C2=O)nc1 ZINC001267255469 837077148 /nfs/dbraw/zinc/07/71/48/837077148.db2.gz HSMKBTHXAIBYRK-QGZVFWFLSA-N 1 1 340.427 0.902 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1O ZINC001267261871 837092515 /nfs/dbraw/zinc/09/25/15/837092515.db2.gz ROABPPHCMDNZTD-ZIAGYGMSSA-N 1 1 329.400 0.724 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1O ZINC001267261871 837092526 /nfs/dbraw/zinc/09/25/26/837092526.db2.gz ROABPPHCMDNZTD-ZIAGYGMSSA-N 1 1 329.400 0.724 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccon1 ZINC001267277260 837120913 /nfs/dbraw/zinc/12/09/13/837120913.db2.gz VGCOCQRHTZLMKC-DZGCQCFKSA-N 1 1 332.404 0.326 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1ccon1 ZINC001267277260 837120915 /nfs/dbraw/zinc/12/09/15/837120915.db2.gz VGCOCQRHTZLMKC-DZGCQCFKSA-N 1 1 332.404 0.326 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001267277272 837120924 /nfs/dbraw/zinc/12/09/24/837120924.db2.gz VKGKHXZTWFPUCF-CABCVRRESA-N 1 1 345.447 0.796 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001267277272 837120928 /nfs/dbraw/zinc/12/09/28/837120928.db2.gz VKGKHXZTWFPUCF-CABCVRRESA-N 1 1 345.447 0.796 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2cccnn21 ZINC001267278285 837122381 /nfs/dbraw/zinc/12/23/81/837122381.db2.gz IFAZAAMULCFMRL-ZDUSSCGKSA-N 1 1 342.403 0.226 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc2cccnn21 ZINC001267278285 837122386 /nfs/dbraw/zinc/12/23/86/837122386.db2.gz IFAZAAMULCFMRL-ZDUSSCGKSA-N 1 1 342.403 0.226 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001267283025 837131579 /nfs/dbraw/zinc/13/15/79/837131579.db2.gz ZRKCGTMWYUYWEU-CYBMUJFWSA-N 1 1 339.399 0.507 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001267283025 837131581 /nfs/dbraw/zinc/13/15/81/837131581.db2.gz ZRKCGTMWYUYWEU-CYBMUJFWSA-N 1 1 339.399 0.507 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001267292345 837143583 /nfs/dbraw/zinc/14/35/83/837143583.db2.gz AHSLCMZIEFELSZ-AWEZNQCLSA-N 1 1 331.420 0.244 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2occ3c2CCC3)C1 ZINC001267298392 837159912 /nfs/dbraw/zinc/15/99/12/837159912.db2.gz MJLFLIVTSJFOEH-UONOGXRCSA-N 1 1 343.427 0.958 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2coc(OC)n2)C1 ZINC001267298104 837160170 /nfs/dbraw/zinc/16/01/70/837160170.db2.gz JMXMRHDWRLJSGP-RYUDHWBXSA-N 1 1 336.392 0.426 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001267298742 837162774 /nfs/dbraw/zinc/16/27/74/837162774.db2.gz RPWYRONTIAYDQY-LLVKDONJSA-N 1 1 345.428 0.921 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001267298742 837162780 /nfs/dbraw/zinc/16/27/80/837162780.db2.gz RPWYRONTIAYDQY-LLVKDONJSA-N 1 1 345.428 0.921 20 30 ECEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001267302319 837165780 /nfs/dbraw/zinc/16/57/80/837165780.db2.gz CGIAYNQIJOWDBE-OAHLLOKOSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC(C)(F)F)C1 ZINC001267302076 837166105 /nfs/dbraw/zinc/16/61/05/837166105.db2.gz LPWXPTATDXBMSN-NSHDSACASA-N 1 1 346.378 0.482 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001267303973 837170685 /nfs/dbraw/zinc/17/06/85/837170685.db2.gz CLGTXSFAGZBXDR-GJZGRUSLSA-N 1 1 331.416 0.646 20 30 ECEDMO CCC[N@H+](CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)CC(=O)NCC#N ZINC001267314628 837191112 /nfs/dbraw/zinc/19/11/12/837191112.db2.gz MMKPMFVUVVGQTH-OFQRWUPVSA-N 1 1 336.436 0.269 20 30 ECEDMO CCC[N@@H+](CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)CC(=O)NCC#N ZINC001267314628 837191114 /nfs/dbraw/zinc/19/11/14/837191114.db2.gz MMKPMFVUVVGQTH-OFQRWUPVSA-N 1 1 336.436 0.269 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cn(C)nc1C)C1CC1 ZINC001267322658 837199095 /nfs/dbraw/zinc/19/90/95/837199095.db2.gz KQSQWPREPIBSBI-ZDUSSCGKSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cn(C)nc1C)C1CC1 ZINC001267322658 837199097 /nfs/dbraw/zinc/19/90/97/837199097.db2.gz KQSQWPREPIBSBI-ZDUSSCGKSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1ocnc1C1CC1)C1CC1 ZINC001267332739 837213235 /nfs/dbraw/zinc/21/32/35/837213235.db2.gz IPTSIEKQVWVPQZ-GFCCVEGCSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1ocnc1C1CC1)C1CC1 ZINC001267332739 837213244 /nfs/dbraw/zinc/21/32/44/837213244.db2.gz IPTSIEKQVWVPQZ-GFCCVEGCSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cnn(CC)c1C)C1CC1 ZINC001267334786 837217314 /nfs/dbraw/zinc/21/73/14/837217314.db2.gz FRIDZEZIYBGYLA-CQSZACIVSA-N 1 1 345.447 0.544 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cnn(CC)c1C)C1CC1 ZINC001267334786 837217323 /nfs/dbraw/zinc/21/73/23/837217323.db2.gz FRIDZEZIYBGYLA-CQSZACIVSA-N 1 1 345.447 0.544 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C1CC1)[C@H]1CCC(=O)NC1=O ZINC001267335569 837219124 /nfs/dbraw/zinc/21/91/24/837219124.db2.gz ZSNSBLAFEHOZCT-DZKIICNBSA-N 1 1 349.431 0.353 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C1CC1)[C@H]1CCC(=O)NC1=O ZINC001267335569 837219132 /nfs/dbraw/zinc/21/91/32/837219132.db2.gz ZSNSBLAFEHOZCT-DZKIICNBSA-N 1 1 349.431 0.353 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1coc(C2CCC2)n1)C1CC1 ZINC001267336861 837220810 /nfs/dbraw/zinc/22/08/10/837220810.db2.gz ZXFXNAJQHKDOOG-UHFFFAOYSA-N 1 1 345.403 0.776 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1coc(C2CCC2)n1)C1CC1 ZINC001267336861 837220815 /nfs/dbraw/zinc/22/08/15/837220815.db2.gz ZXFXNAJQHKDOOG-UHFFFAOYSA-N 1 1 345.403 0.776 20 30 ECEDMO CC(C)(O)CC(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC001267357823 837246218 /nfs/dbraw/zinc/24/62/18/837246218.db2.gz SJWWUSUHBVBJNB-CQSZACIVSA-N 1 1 332.404 0.234 20 30 ECEDMO C#CCCCC(=O)NC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001267357626 837246236 /nfs/dbraw/zinc/24/62/36/837246236.db2.gz QIHMCUMWYQJSBO-ZFWWWQNUSA-N 1 1 344.415 0.820 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCNC(=O)NC(C)C ZINC001267397361 837357781 /nfs/dbraw/zinc/35/77/81/837357781.db2.gz ULFACBGLVVFATR-GASCZTMLSA-N 1 1 338.452 0.572 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCNC(=O)NC(C)C ZINC001267397361 837357793 /nfs/dbraw/zinc/35/77/93/837357793.db2.gz ULFACBGLVVFATR-GASCZTMLSA-N 1 1 338.452 0.572 20 30 ECEDMO CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CCC1=O ZINC001267404753 837374682 /nfs/dbraw/zinc/37/46/82/837374682.db2.gz ALQIKTSLPLPZEX-GASCZTMLSA-N 1 1 345.443 0.860 20 30 ECEDMO CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CCC1=O ZINC001267404753 837374695 /nfs/dbraw/zinc/37/46/95/837374695.db2.gz ALQIKTSLPLPZEX-GASCZTMLSA-N 1 1 345.443 0.860 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001267578019 837835299 /nfs/dbraw/zinc/83/52/99/837835299.db2.gz VFJOQOUUAXKBSE-KRWDZBQOSA-N 1 1 338.415 0.505 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnn(CC)n2)C1 ZINC001267580820 837842157 /nfs/dbraw/zinc/84/21/57/837842157.db2.gz DTFHFRDTGXBUSF-YOEHRIQHSA-N 1 1 335.452 0.905 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cnn(CC)n2)C1 ZINC001267580820 837842170 /nfs/dbraw/zinc/84/21/70/837842170.db2.gz DTFHFRDTGXBUSF-YOEHRIQHSA-N 1 1 335.452 0.905 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(C)(C)C)C1 ZINC001267582234 837849344 /nfs/dbraw/zinc/84/93/44/837849344.db2.gz IOQTUKCVRFXIHG-OAHLLOKOSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001267583789 837852581 /nfs/dbraw/zinc/85/25/81/837852581.db2.gz SCQKRIRSXLBVGJ-CYBMUJFWSA-N 1 1 332.404 0.590 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]nc2CCC)C1 ZINC001267585971 837862745 /nfs/dbraw/zinc/86/27/45/837862745.db2.gz GYCKUTWXKZYKGV-AWEZNQCLSA-N 1 1 345.447 0.506 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001267594220 837894851 /nfs/dbraw/zinc/89/48/51/837894851.db2.gz BDOYDMRUTCSFLC-IRXDYDNUSA-N 1 1 349.475 0.723 20 30 ECEDMO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC#CCOC)C1)N1CCCC1=O ZINC001267597408 837904330 /nfs/dbraw/zinc/90/43/30/837904330.db2.gz WUFUVWYCOAMYQA-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)C2CC(OC)C2)CC1 ZINC001267601745 837922690 /nfs/dbraw/zinc/92/26/90/837922690.db2.gz SJXQBKRGILRCCT-UHFFFAOYSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC001267608902 837964656 /nfs/dbraw/zinc/96/46/56/837964656.db2.gz GXOXALKKJCAVNY-UHFFFAOYSA-N 1 1 330.432 0.672 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625526 838075369 /nfs/dbraw/zinc/07/53/69/838075369.db2.gz MJLVLTFSDZSWGF-CHWSQXEVSA-N 1 1 338.477 0.691 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 ZINC001267627609 838080870 /nfs/dbraw/zinc/08/08/70/838080870.db2.gz IUCYSWADTHIKHL-INIZCTEOSA-N 1 1 329.400 0.630 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 ZINC001267627609 838080890 /nfs/dbraw/zinc/08/08/90/838080890.db2.gz IUCYSWADTHIKHL-INIZCTEOSA-N 1 1 329.400 0.630 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cc(C)on2)C1 ZINC001267638897 838116768 /nfs/dbraw/zinc/11/67/68/838116768.db2.gz UQQWKDFWHOFAQF-CABCVRRESA-N 1 1 348.447 0.997 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001267639179 838118107 /nfs/dbraw/zinc/11/81/07/838118107.db2.gz ZPXQDOMAFHKHEV-RDJZCZTQSA-N 1 1 342.443 0.542 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)nn2)C1 ZINC001267646684 838131259 /nfs/dbraw/zinc/13/12/59/838131259.db2.gz RGPMFQWBMGBSDO-GJZGRUSLSA-N 1 1 345.447 0.870 20 30 ECEDMO C=CCNC(=O)[C@H](C)N1CC(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267664089 838187901 /nfs/dbraw/zinc/18/79/01/838187901.db2.gz UXUWKQOQIDRTKP-ZDUSSCGKSA-N 1 1 333.436 0.498 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)C2)c1 ZINC001267681928 838240673 /nfs/dbraw/zinc/24/06/73/838240673.db2.gz CEOJGWZRGJMZAI-HOCLYGCPSA-N 1 1 342.443 0.934 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NC3CC3)C2)c1 ZINC001267684922 838248439 /nfs/dbraw/zinc/24/84/39/838248439.db2.gz URPVVDGQXWQYJP-OAHLLOKOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001267689732 838257323 /nfs/dbraw/zinc/25/73/23/838257323.db2.gz HKYAYGUHRVRGCR-FPCVCCKLSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001267708396 838316147 /nfs/dbraw/zinc/31/61/47/838316147.db2.gz MDZPBBFWTSYZPA-AWEZNQCLSA-N 1 1 329.466 0.072 20 30 ECEDMO C=CCOCC(=O)N1CCC(C[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001267718413 838369450 /nfs/dbraw/zinc/36/94/50/838369450.db2.gz JRMQOSLEVRBKTA-CQSZACIVSA-N 1 1 337.420 0.165 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 ZINC001267725947 838396976 /nfs/dbraw/zinc/39/69/76/838396976.db2.gz KAZGJQXHBZOLKD-INIZCTEOSA-N 1 1 330.432 0.602 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 ZINC001267725947 838396981 /nfs/dbraw/zinc/39/69/81/838396981.db2.gz KAZGJQXHBZOLKD-INIZCTEOSA-N 1 1 330.432 0.602 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001267726378 838403333 /nfs/dbraw/zinc/40/33/33/838403333.db2.gz FDSZFJYYOQOKPN-INIZCTEOSA-N 1 1 326.400 0.946 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001267726378 838403337 /nfs/dbraw/zinc/40/33/37/838403337.db2.gz FDSZFJYYOQOKPN-INIZCTEOSA-N 1 1 326.400 0.946 20 30 ECEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267727041 838407640 /nfs/dbraw/zinc/40/76/40/838407640.db2.gz HLNMALQTSYYPES-ZDUSSCGKSA-N 1 1 327.392 0.828 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CCOCCNC(C)=O)C1 ZINC001267728240 838411273 /nfs/dbraw/zinc/41/12/73/838411273.db2.gz YPYSJAHRAVKXAI-HNNXBMFYSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2nccn3ccnc23)C1 ZINC001267729274 838413537 /nfs/dbraw/zinc/41/35/37/838413537.db2.gz ZIYHBIHSBLINAI-STQMWFEESA-N 1 1 342.403 0.224 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2nccn3ccnc23)C1 ZINC001267729274 838413542 /nfs/dbraw/zinc/41/35/42/838413542.db2.gz ZIYHBIHSBLINAI-STQMWFEESA-N 1 1 342.403 0.224 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC001267738262 838435791 /nfs/dbraw/zinc/43/57/91/838435791.db2.gz UMTUVCTWXJDEFR-VXGBXAGGSA-N 1 1 335.408 0.057 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC001267745973 838451744 /nfs/dbraw/zinc/45/17/44/838451744.db2.gz MHDYYYYKHSXCHS-MRXNPFEDSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C[C@@H](O)COCCOC)C2)C1 ZINC001267749130 838463699 /nfs/dbraw/zinc/46/36/99/838463699.db2.gz KZFMTQOHLNKEJB-HUUCEWRRSA-N 1 1 326.437 0.557 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001267750835 838472313 /nfs/dbraw/zinc/47/23/13/838472313.db2.gz OHNPXWLHGWQNPL-NWDGAFQWSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001267750835 838472317 /nfs/dbraw/zinc/47/23/17/838472317.db2.gz OHNPXWLHGWQNPL-NWDGAFQWSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnnc(C)c2)C1 ZINC001267762265 838489680 /nfs/dbraw/zinc/48/96/80/838489680.db2.gz DYQSVBDJHUOCPC-DZGCQCFKSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnnc(C)c2)C1 ZINC001267762265 838489683 /nfs/dbraw/zinc/48/96/83/838489683.db2.gz DYQSVBDJHUOCPC-DZGCQCFKSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC001267761887 838491046 /nfs/dbraw/zinc/49/10/46/838491046.db2.gz LOBXPAYZDWDSQV-OAHLLOKOSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC001267761887 838491049 /nfs/dbraw/zinc/49/10/49/838491049.db2.gz LOBXPAYZDWDSQV-OAHLLOKOSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267763803 838493244 /nfs/dbraw/zinc/49/32/44/838493244.db2.gz PUBNXRAHWZWDKY-GXTWGEPZSA-N 1 1 336.436 0.871 20 30 ECEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267763803 838493247 /nfs/dbraw/zinc/49/32/47/838493247.db2.gz PUBNXRAHWZWDKY-GXTWGEPZSA-N 1 1 336.436 0.871 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2nnc3c2CCCC3)C1 ZINC001267771807 838522945 /nfs/dbraw/zinc/52/29/45/838522945.db2.gz NNSYGQZFRUQVBJ-HNNXBMFYSA-N 1 1 345.447 0.339 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)Cn2nnc3c2CCCC3)C1 ZINC001267771807 838522948 /nfs/dbraw/zinc/52/29/48/838522948.db2.gz NNSYGQZFRUQVBJ-HNNXBMFYSA-N 1 1 345.447 0.339 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001267772940 838529662 /nfs/dbraw/zinc/52/96/62/838529662.db2.gz YBLCEYVYPXMMMO-TZMCWYRMSA-N 1 1 331.420 0.311 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001267772940 838529668 /nfs/dbraw/zinc/52/96/68/838529668.db2.gz YBLCEYVYPXMMMO-TZMCWYRMSA-N 1 1 331.420 0.311 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001267773325 838532694 /nfs/dbraw/zinc/53/26/94/838532694.db2.gz LVQFFDBYRBKDSE-IRXDYDNUSA-N 1 1 347.463 0.887 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(CC)nn2C)C1 ZINC001267775692 838538235 /nfs/dbraw/zinc/53/82/35/838538235.db2.gz VTGJPSMMCBTFDE-DZGCQCFKSA-N 1 1 345.447 0.267 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(CC)nn2C)C1 ZINC001267775692 838538239 /nfs/dbraw/zinc/53/82/39/838538239.db2.gz VTGJPSMMCBTFDE-DZGCQCFKSA-N 1 1 345.447 0.267 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001267776860 838541919 /nfs/dbraw/zinc/54/19/19/838541919.db2.gz GLNVHJVPAFXRIV-HOCLYGCPSA-N 1 1 330.432 0.697 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001267776860 838541928 /nfs/dbraw/zinc/54/19/28/838541928.db2.gz GLNVHJVPAFXRIV-HOCLYGCPSA-N 1 1 330.432 0.697 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267782693 838558724 /nfs/dbraw/zinc/55/87/24/838558724.db2.gz BGHDRMAVAVGXLL-HOCLYGCPSA-N 1 1 346.493 0.671 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267782693 838558729 /nfs/dbraw/zinc/55/87/29/838558729.db2.gz BGHDRMAVAVGXLL-HOCLYGCPSA-N 1 1 346.493 0.671 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)N(C)C(C)C)C1 ZINC001267787202 838564113 /nfs/dbraw/zinc/56/41/13/838564113.db2.gz XNVKCSVQPRBYCV-HZPDHXFCSA-N 1 1 337.464 0.814 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)N(C)C(C)C)C1 ZINC001267787202 838564119 /nfs/dbraw/zinc/56/41/19/838564119.db2.gz XNVKCSVQPRBYCV-HZPDHXFCSA-N 1 1 337.464 0.814 20 30 ECEDMO CC#CCCCC(=O)N(CC)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001267788654 838567337 /nfs/dbraw/zinc/56/73/37/838567337.db2.gz BRMTYEXVXBRSPW-AWEZNQCLSA-N 1 1 333.436 0.725 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)CCc2cn[nH]c2)C1 ZINC001267791913 838572533 /nfs/dbraw/zinc/57/25/33/838572533.db2.gz YKQXYRXAEPWYCY-ZBFHGGJFSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CCc2cn[nH]c2)C1 ZINC001267791913 838572537 /nfs/dbraw/zinc/57/25/37/838572537.db2.gz YKQXYRXAEPWYCY-ZBFHGGJFSA-N 1 1 345.447 0.403 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CCOC)nn2)C1 ZINC001105187951 838738341 /nfs/dbraw/zinc/73/83/41/838738341.db2.gz IBDROBUFILPRDW-ZDUSSCGKSA-N 1 1 337.424 0.379 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC001267931219 838813570 /nfs/dbraw/zinc/81/35/70/838813570.db2.gz NFBFZWUBUOSPTR-QGZVFWFLSA-N 1 1 343.427 0.906 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC001267931219 838813578 /nfs/dbraw/zinc/81/35/78/838813578.db2.gz NFBFZWUBUOSPTR-QGZVFWFLSA-N 1 1 343.427 0.906 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)COCc2ncc(C)o2)C1 ZINC001267949622 838842581 /nfs/dbraw/zinc/84/25/81/838842581.db2.gz NUESRKURIKTAFL-OAHLLOKOSA-N 1 1 335.404 0.730 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)COCc2ncc(C)o2)C1 ZINC001267949622 838842592 /nfs/dbraw/zinc/84/25/92/838842592.db2.gz NUESRKURIKTAFL-OAHLLOKOSA-N 1 1 335.404 0.730 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001267962103 838877204 /nfs/dbraw/zinc/87/72/04/838877204.db2.gz BTCFXZFUCQIMRO-WDEREUQCSA-N 1 1 338.433 0.734 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001267962103 838877213 /nfs/dbraw/zinc/87/72/13/838877213.db2.gz BTCFXZFUCQIMRO-WDEREUQCSA-N 1 1 338.433 0.734 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)CCCCOC)CC2 ZINC001268044604 839203350 /nfs/dbraw/zinc/20/33/50/839203350.db2.gz XGCACWOGFFXNCN-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCOC[C@H]1C)CC2 ZINC001268045510 839207897 /nfs/dbraw/zinc/20/78/97/839207897.db2.gz BWLXDTOYZKAIBD-CVEARBPZSA-N 1 1 349.475 0.886 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1cc(C)co1)CC2 ZINC001268045688 839209626 /nfs/dbraw/zinc/20/96/26/839209626.db2.gz FZRVUNFWMIXUOI-UHFFFAOYSA-N 1 1 329.400 0.875 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[C@H]1CCC(=O)N1)CC2 ZINC001268045859 839210257 /nfs/dbraw/zinc/21/02/57/839210257.db2.gz LAIRMTFTWVTDJN-HZPDHXFCSA-N 1 1 347.459 0.475 20 30 ECEDMO C[C@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)N(C)C(=O)C#CC1CC1 ZINC001268063271 839248402 /nfs/dbraw/zinc/24/84/02/839248402.db2.gz MABOPRCQJZYJES-ZBFHGGJFSA-N 1 1 345.447 0.665 20 30 ECEDMO O=C(CN1CN=NC1=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981001402 839306499 /nfs/dbraw/zinc/30/64/99/839306499.db2.gz HBFIPZGIMRNESM-UHFFFAOYSA-N 1 1 339.399 0.570 20 30 ECEDMO O=C(CN1CN=NC1=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981001402 839306510 /nfs/dbraw/zinc/30/65/10/839306510.db2.gz HBFIPZGIMRNESM-UHFFFAOYSA-N 1 1 339.399 0.570 20 30 ECEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000177909970 529507473 /nfs/dbraw/zinc/50/74/73/529507473.db2.gz IGBBSFZDAQNXAU-AWEZNQCLSA-N 1 1 348.378 0.551 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329306963 296020808 /nfs/dbraw/zinc/02/08/08/296020808.db2.gz PLDOAXSNNSCZLA-ZFWWWQNUSA-N 1 1 336.436 0.460 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCNC3=O)CC2)cc1 ZINC000021405187 212223923 /nfs/dbraw/zinc/22/39/23/212223923.db2.gz URHKRGMMMMHAOK-UHFFFAOYSA-N 1 1 341.415 0.618 20 30 ECEDMO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)N3CCNC3=O)CC2)cc1 ZINC000021405187 212223930 /nfs/dbraw/zinc/22/39/30/212223930.db2.gz URHKRGMMMMHAOK-UHFFFAOYSA-N 1 1 341.415 0.618 20 30 ECEDMO N#Cc1ccc(CN2CCC[N@H+](CC(=O)N3CCNC3=O)CC2)cc1 ZINC000021405187 212223933 /nfs/dbraw/zinc/22/39/33/212223933.db2.gz URHKRGMMMMHAOK-UHFFFAOYSA-N 1 1 341.415 0.618 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000246396174 243244576 /nfs/dbraw/zinc/24/45/76/243244576.db2.gz JCXBBOOJGGFPKM-SZVBFZGTSA-N 1 1 345.443 0.950 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@@H](O)COCCOC(C)C ZINC000265275087 247361144 /nfs/dbraw/zinc/36/11/44/247361144.db2.gz VOWHDRQWOHPYPU-MRXNPFEDSA-N 1 1 328.453 0.921 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+](C)C[C@@H](O)COCCOC(C)C ZINC000265275087 247361149 /nfs/dbraw/zinc/36/11/49/247361149.db2.gz VOWHDRQWOHPYPU-MRXNPFEDSA-N 1 1 328.453 0.921 20 30 ECEDMO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000447012945 211166451 /nfs/dbraw/zinc/16/64/51/211166451.db2.gz JBMUXWMICZBAII-ZBFHGGJFSA-N 1 1 334.420 0.488 20 30 ECEDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2OC)C1 ZINC000444172758 211056362 /nfs/dbraw/zinc/05/63/62/211056362.db2.gz RWBFTHBOKBFTER-ZDUSSCGKSA-N 1 1 339.417 0.566 20 30 ECEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2OC)C1 ZINC000444172758 211056366 /nfs/dbraw/zinc/05/63/66/211056366.db2.gz RWBFTHBOKBFTER-ZDUSSCGKSA-N 1 1 339.417 0.566 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000267389420 251011995 /nfs/dbraw/zinc/01/19/95/251011995.db2.gz OKGPOWBARMAHMD-KBPBESRZSA-N 1 1 349.435 0.423 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000267389420 251012001 /nfs/dbraw/zinc/01/20/01/251012001.db2.gz OKGPOWBARMAHMD-KBPBESRZSA-N 1 1 349.435 0.423 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000267389422 251012736 /nfs/dbraw/zinc/01/27/36/251012736.db2.gz OKGPOWBARMAHMD-UONOGXRCSA-N 1 1 349.435 0.423 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000267389422 251012740 /nfs/dbraw/zinc/01/27/40/251012740.db2.gz OKGPOWBARMAHMD-UONOGXRCSA-N 1 1 349.435 0.423 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000268697691 252149249 /nfs/dbraw/zinc/14/92/49/252149249.db2.gz UDMKWSLELYTOKN-UHFFFAOYSA-N 1 1 344.415 0.560 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@H+](C)C1 ZINC000411750979 208140485 /nfs/dbraw/zinc/14/04/85/208140485.db2.gz BFZAZDRBEIIYMR-CYBMUJFWSA-N 1 1 344.371 0.060 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000411750979 208140491 /nfs/dbraw/zinc/14/04/91/208140491.db2.gz BFZAZDRBEIIYMR-CYBMUJFWSA-N 1 1 344.371 0.060 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CSC2(C)C)CC1 ZINC000328755037 254591757 /nfs/dbraw/zinc/59/17/57/254591757.db2.gz SQLVGBMERYOFOM-GFCCVEGCSA-N 1 1 328.482 0.937 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000451075626 254804262 /nfs/dbraw/zinc/80/42/62/254804262.db2.gz XQCWJFKWSGPFEE-UHFFFAOYSA-N 1 1 330.454 0.010 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000490617004 254880592 /nfs/dbraw/zinc/88/05/92/254880592.db2.gz NMYJAVXDVORAKF-AWEZNQCLSA-N 1 1 349.412 0.125 20 30 ECEDMO C#CCOc1ccccc1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000265186191 533194680 /nfs/dbraw/zinc/19/46/80/533194680.db2.gz NTMZMWBIMFAOMA-INIZCTEOSA-N 1 1 330.432 0.744 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000419341454 209062721 /nfs/dbraw/zinc/06/27/21/209062721.db2.gz ANDNTDRALOJYHH-OAHLLOKOSA-N 1 1 331.372 0.691 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000419341454 209062723 /nfs/dbraw/zinc/06/27/23/209062723.db2.gz ANDNTDRALOJYHH-OAHLLOKOSA-N 1 1 331.372 0.691 20 30 ECEDMO COCCNC(=O)CN1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391520 221145887 /nfs/dbraw/zinc/14/58/87/221145887.db2.gz HNFIJFKLSOPFBH-OAHLLOKOSA-N 1 1 330.432 0.999 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000249255333 165195557 /nfs/dbraw/zinc/19/55/57/165195557.db2.gz YJWJKJGACKDZAM-JSGCOSHPSA-N 1 1 344.419 0.969 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1Cl ZINC000158737480 225076070 /nfs/dbraw/zinc/07/60/70/225076070.db2.gz FYAJPNJIWACIET-UHFFFAOYSA-N 1 1 343.836 0.900 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1Cl ZINC000158737480 225076076 /nfs/dbraw/zinc/07/60/76/225076076.db2.gz FYAJPNJIWACIET-UHFFFAOYSA-N 1 1 343.836 0.900 20 30 ECEDMO C[C@H](NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000329344229 299006249 /nfs/dbraw/zinc/00/62/49/299006249.db2.gz QJWXKUXSUWAGGU-QWHCGFSZSA-N 1 1 344.481 0.422 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)C#CC2CC2)C1 ZINC001077963586 782025560 /nfs/dbraw/zinc/02/55/60/782025560.db2.gz XXBFVDIEIZAACD-GOEBONIOSA-N 1 1 335.448 0.520 20 30 ECEDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 ZINC000377219642 270007678 /nfs/dbraw/zinc/00/76/78/270007678.db2.gz DFBGADFMEMZAQF-ZDUSSCGKSA-N 1 1 331.424 0.808 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000376518179 270007771 /nfs/dbraw/zinc/00/77/71/270007771.db2.gz MDPNNJLPFBZQGV-IHRRRGAJSA-N 1 1 329.408 0.275 20 30 ECEDMO COc1ncccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000515832131 270008002 /nfs/dbraw/zinc/00/80/02/270008002.db2.gz KVHXJHPIJGZRES-UHFFFAOYSA-N 1 1 332.385 0.920 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000341375850 266151552 /nfs/dbraw/zinc/15/15/52/266151552.db2.gz ZXRIZGVZBLSGMG-HUUCEWRRSA-N 1 1 330.388 0.654 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000341375850 266151554 /nfs/dbraw/zinc/15/15/54/266151554.db2.gz ZXRIZGVZBLSGMG-HUUCEWRRSA-N 1 1 330.388 0.654 20 30 ECEDMO CC[C@@H]1CN(C(=O)Cc2noc(C)c2C#N)C[C@H]1[NH+]1CCOCC1 ZINC000332160640 266375039 /nfs/dbraw/zinc/37/50/39/266375039.db2.gz IYZOSYSDDDZGDJ-CZUORRHYSA-N 1 1 332.404 0.966 20 30 ECEDMO C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000332114740 267096254 /nfs/dbraw/zinc/09/62/54/267096254.db2.gz GVPBHXCJPMCGDV-ZDUSSCGKSA-N 1 1 327.388 0.621 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000375480815 267164035 /nfs/dbraw/zinc/16/40/35/267164035.db2.gz CWNBGGVORJEBBK-CYBMUJFWSA-N 1 1 330.388 0.412 20 30 ECEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340968377 267200082 /nfs/dbraw/zinc/20/00/82/267200082.db2.gz RRLCEBYYQVNPHZ-BBRMVZONSA-N 1 1 344.415 0.782 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000284061557 267228012 /nfs/dbraw/zinc/22/80/12/267228012.db2.gz QSTQVXXIENTNOD-BLLLJJGKSA-N 1 1 326.400 0.773 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1F ZINC000340967288 268134488 /nfs/dbraw/zinc/13/44/88/268134488.db2.gz KKBASAVCCIOCMC-CQSZACIVSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1F ZINC000340967288 268134491 /nfs/dbraw/zinc/13/44/91/268134491.db2.gz KKBASAVCCIOCMC-CQSZACIVSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000353374836 268200154 /nfs/dbraw/zinc/20/01/54/268200154.db2.gz ORNRHJBJNDKCOH-CYBMUJFWSA-N 1 1 348.428 0.189 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000340151388 268250272 /nfs/dbraw/zinc/25/02/72/268250272.db2.gz XMVPAXJIDQXQKU-HOTGVXAUSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1cccc(NC(=O)C2CC[NH+](CC(=O)NC(N)=O)CC2)c1 ZINC000299686373 268264710 /nfs/dbraw/zinc/26/47/10/268264710.db2.gz ZGMAFUODXJYBGH-UHFFFAOYSA-N 1 1 329.360 0.404 20 30 ECEDMO N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC[NH2+]CC3(F)F)CC2)c1 ZINC000342733842 268292796 /nfs/dbraw/zinc/29/27/96/268292796.db2.gz OTFVOWGTNGTRJV-ZDUSSCGKSA-N 1 1 335.358 0.847 20 30 ECEDMO N#Cc1ccnc(N2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000329220906 268294227 /nfs/dbraw/zinc/29/42/27/268294227.db2.gz UDZAUXIXZGUPMA-CALCHBBNSA-N 1 1 327.432 0.938 20 30 ECEDMO N#Cc1ccnc(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000329220906 268294231 /nfs/dbraw/zinc/29/42/31/268294231.db2.gz UDZAUXIXZGUPMA-CALCHBBNSA-N 1 1 327.432 0.938 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000287946213 268335828 /nfs/dbraw/zinc/33/58/28/268335828.db2.gz TVETZFNTVUODJH-UHFFFAOYSA-N 1 1 331.424 0.810 20 30 ECEDMO C#C[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000491438219 275386187 /nfs/dbraw/zinc/38/61/87/275386187.db2.gz AQQDSAXCIKJHDF-BZUAXINKSA-N 1 1 333.432 0.180 20 30 ECEDMO CN1C(=O)N[C@@H]2CN(C(=O)NCC[NH+]3CCSCC3)CC[C@@H]21 ZINC000329078496 276882931 /nfs/dbraw/zinc/88/29/31/276882931.db2.gz QLENRQDRVSVXSC-NEPJUHHUSA-N 1 1 327.454 0.252 20 30 ECEDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352889404 278017000 /nfs/dbraw/zinc/01/70/00/278017000.db2.gz YNFMWGJFWMNJQP-COXVUDFISA-N 1 1 328.416 0.880 20 30 ECEDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352889404 278017001 /nfs/dbraw/zinc/01/70/01/278017001.db2.gz YNFMWGJFWMNJQP-COXVUDFISA-N 1 1 328.416 0.880 20 30 ECEDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268712968 278113589 /nfs/dbraw/zinc/11/35/89/278113589.db2.gz UHAQTEMNXLTBGH-HZPDHXFCSA-N 1 1 337.445 0.995 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3nccs3)c2)C1 ZINC001077977862 782058944 /nfs/dbraw/zinc/05/89/44/782058944.db2.gz SROUTJIXEOYYQG-CHWSQXEVSA-N 1 1 333.417 0.680 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3nccs3)c2)C1 ZINC001077977862 782058956 /nfs/dbraw/zinc/05/89/56/782058956.db2.gz SROUTJIXEOYYQG-CHWSQXEVSA-N 1 1 333.417 0.680 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000069858877 435972071 /nfs/dbraw/zinc/97/20/71/435972071.db2.gz OGEOWFIJRNZXAD-KRWDZBQOSA-N 1 1 347.463 0.687 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000069858877 435972076 /nfs/dbraw/zinc/97/20/76/435972076.db2.gz OGEOWFIJRNZXAD-KRWDZBQOSA-N 1 1 347.463 0.687 20 30 ECEDMO C[C@@](O)(CNC(=O)NCC#Cc1ccccc1)C[NH+]1CCOCC1 ZINC000073571658 436082309 /nfs/dbraw/zinc/08/23/09/436082309.db2.gz VZZFJVCOIITXPL-GOSISDBHSA-N 1 1 331.416 0.421 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077389602 436236419 /nfs/dbraw/zinc/23/64/19/436236419.db2.gz UAIZMNIPBQWIAN-UHFFFAOYSA-N 1 1 338.477 0.981 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000076992070 436223149 /nfs/dbraw/zinc/22/31/49/436223149.db2.gz PEPCAUXJANIERU-CVEARBPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000042744153 436315823 /nfs/dbraw/zinc/31/58/23/436315823.db2.gz RQNAKNCMQIGPIO-UHFFFAOYSA-N 1 1 336.417 0.001 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083245864 436370520 /nfs/dbraw/zinc/37/05/20/436370520.db2.gz BTUHNQQEBBBYIX-ZBFHGGJFSA-N 1 1 346.431 0.510 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083245864 436370522 /nfs/dbraw/zinc/37/05/22/436370522.db2.gz BTUHNQQEBBBYIX-ZBFHGGJFSA-N 1 1 346.431 0.510 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN(C)CCN1C)N[C@@H]1CCOc2ccccc21 ZINC000088767626 436404606 /nfs/dbraw/zinc/40/46/06/436404606.db2.gz OYGRIKQBBXLQQO-GOEBONIOSA-N 1 1 331.464 0.921 20 30 ECEDMO CNC(=O)CCC[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000089264090 436405994 /nfs/dbraw/zinc/40/59/94/436405994.db2.gz RYNQYBMRUPRSDE-HNNXBMFYSA-N 1 1 337.468 0.137 20 30 ECEDMO C[N@@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1CC1 ZINC000091229233 436445886 /nfs/dbraw/zinc/44/58/86/436445886.db2.gz VWWFZRVYKFWVEV-UHFFFAOYSA-N 1 1 332.408 0.659 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000049048792 436463551 /nfs/dbraw/zinc/46/35/51/436463551.db2.gz IJPWLJAMLNFORH-INIZCTEOSA-N 1 1 344.415 0.970 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000047257746 436414407 /nfs/dbraw/zinc/41/44/07/436414407.db2.gz RYSCIYQSLHZMQG-UHFFFAOYSA-N 1 1 345.403 0.744 20 30 ECEDMO Cc1nnc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(C#N)c1C ZINC000052161224 436502671 /nfs/dbraw/zinc/50/26/71/436502671.db2.gz HWFNAELQBOFGTP-UHFFFAOYSA-N 1 1 342.447 0.956 20 30 ECEDMO CC(C)[N@@H+](C)CC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000052488277 436507361 /nfs/dbraw/zinc/50/73/61/436507361.db2.gz ONBSOWZLIOCLQZ-UHFFFAOYSA-N 1 1 333.436 0.512 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105867068 436583009 /nfs/dbraw/zinc/58/30/09/436583009.db2.gz PLKYXFYJBUBMFX-CQSZACIVSA-N 1 1 348.451 0.894 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105867068 436583011 /nfs/dbraw/zinc/58/30/11/436583011.db2.gz PLKYXFYJBUBMFX-CQSZACIVSA-N 1 1 348.451 0.894 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000114959049 436645650 /nfs/dbraw/zinc/64/56/50/436645650.db2.gz ISJSQESLLQKJGQ-CQSZACIVSA-N 1 1 337.468 0.099 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000137425726 436657804 /nfs/dbraw/zinc/65/78/04/436657804.db2.gz GOUYQMKCLGBEHI-UHFFFAOYSA-N 1 1 329.400 0.521 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+](C)CC)c1 ZINC000066958546 436703522 /nfs/dbraw/zinc/70/35/22/436703522.db2.gz OYHNOCXJUFNQQH-UHFFFAOYSA-N 1 1 325.434 0.832 20 30 ECEDMO Cn1cc(N2CC[C@@H]([N@@H+](C)CCCc3[nH]nc(N)c3C#N)C2=O)cn1 ZINC000120297921 436682623 /nfs/dbraw/zinc/68/26/23/436682623.db2.gz NLTNZPMHLHYECQ-CQSZACIVSA-N 1 1 342.407 0.267 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC[C@@H]21 ZINC000120338058 436684875 /nfs/dbraw/zinc/68/48/75/436684875.db2.gz GVFINYSAGRYCFZ-KGLIPLIRSA-N 1 1 344.419 0.678 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000272846692 436721399 /nfs/dbraw/zinc/72/13/99/436721399.db2.gz OBTNCFMFNPBNBJ-LBPRGKRZSA-N 1 1 338.433 0.747 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000152526467 436732460 /nfs/dbraw/zinc/73/24/60/436732460.db2.gz VJGPYJNECXXRTR-UHFFFAOYSA-N 1 1 332.404 0.909 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000245853018 436767710 /nfs/dbraw/zinc/76/77/10/436767710.db2.gz MSTQXPHJRVCGQX-ZIAGYGMSSA-N 1 1 334.445 0.524 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000245870612 436767985 /nfs/dbraw/zinc/76/79/85/436767985.db2.gz LBEZIXHINPIRAN-LSDHHAIUSA-N 1 1 338.452 0.564 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000245870612 436767989 /nfs/dbraw/zinc/76/79/89/436767989.db2.gz LBEZIXHINPIRAN-LSDHHAIUSA-N 1 1 338.452 0.564 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000249114176 436816196 /nfs/dbraw/zinc/81/61/96/436816196.db2.gz PHUITNMRRXMNJI-HUUCEWRRSA-N 1 1 336.436 0.318 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249405429 436819662 /nfs/dbraw/zinc/81/96/62/436819662.db2.gz UHJALELYAJOKCS-QWHCGFSZSA-N 1 1 326.441 0.164 20 30 ECEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000246106939 436772758 /nfs/dbraw/zinc/77/27/58/436772758.db2.gz RHBPVTZVRRRTPB-KGLIPLIRSA-N 1 1 346.435 0.972 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[N@H+]1CCC[C@H](C)C1 ZINC000246085301 436772840 /nfs/dbraw/zinc/77/28/40/436772840.db2.gz LSBLHWTYUZRSPF-UONOGXRCSA-N 1 1 346.435 0.972 20 30 ECEDMO C#CCSCCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000246229868 436775697 /nfs/dbraw/zinc/77/56/97/436775697.db2.gz SASPSTKSFPZRTN-LSDHHAIUSA-N 1 1 337.489 0.802 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000246807633 436785648 /nfs/dbraw/zinc/78/56/48/436785648.db2.gz JIOBWOLDRHPFLG-CQSZACIVSA-N 1 1 331.420 0.525 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000246807633 436785651 /nfs/dbraw/zinc/78/56/51/436785651.db2.gz JIOBWOLDRHPFLG-CQSZACIVSA-N 1 1 331.420 0.525 20 30 ECEDMO C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000252734477 436839776 /nfs/dbraw/zinc/83/97/76/436839776.db2.gz MXPWSXBEXJMCDP-LSDHHAIUSA-N 1 1 340.468 0.725 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293022728 436843563 /nfs/dbraw/zinc/84/35/63/436843563.db2.gz QVOAGZXRFSSKJN-DZGCQCFKSA-N 1 1 334.424 0.415 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293022728 436843567 /nfs/dbraw/zinc/84/35/67/436843567.db2.gz QVOAGZXRFSSKJN-DZGCQCFKSA-N 1 1 334.424 0.415 20 30 ECEDMO CC#CC[N@H+](C)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000293048731 436846777 /nfs/dbraw/zinc/84/67/77/436846777.db2.gz HPRLGXDCOIFQBZ-ZDUSSCGKSA-N 1 1 337.445 0.336 20 30 ECEDMO CC#CC[N@@H+](C)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000293048731 436846779 /nfs/dbraw/zinc/84/67/79/436846779.db2.gz HPRLGXDCOIFQBZ-ZDUSSCGKSA-N 1 1 337.445 0.336 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(F)c1C(=O)OC ZINC000293261507 436861605 /nfs/dbraw/zinc/86/16/05/436861605.db2.gz FAUUHNIJINLWLE-UHFFFAOYSA-N 1 1 349.362 0.622 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000293349951 436867924 /nfs/dbraw/zinc/86/79/24/436867924.db2.gz KSRWYXWVEOMLNY-UHFFFAOYSA-N 1 1 342.399 0.581 20 30 ECEDMO C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293358146 436869569 /nfs/dbraw/zinc/86/95/69/436869569.db2.gz JTXQPFMNMZCGCC-AWEZNQCLSA-N 1 1 329.448 0.990 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129113884 436824188 /nfs/dbraw/zinc/82/41/88/436824188.db2.gz WUEOSSYMGMSZKF-INIZCTEOSA-N 1 1 333.436 0.296 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129113884 436824192 /nfs/dbraw/zinc/82/41/92/436824192.db2.gz WUEOSSYMGMSZKF-INIZCTEOSA-N 1 1 333.436 0.296 20 30 ECEDMO C#CCn1ccc(CN(CC)[C@@H](C)C(=O)N2CC[NH+](CC)CC2)n1 ZINC000279660126 436830462 /nfs/dbraw/zinc/83/04/62/436830462.db2.gz CTEUSGQJQIQQSU-INIZCTEOSA-N 1 1 331.464 0.891 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000279710075 436833670 /nfs/dbraw/zinc/83/36/70/436833670.db2.gz KFOQNCGAKYTIDC-CYBMUJFWSA-N 1 1 326.441 0.429 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000279710075 436833674 /nfs/dbraw/zinc/83/36/74/436833674.db2.gz KFOQNCGAKYTIDC-CYBMUJFWSA-N 1 1 326.441 0.429 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000293894685 436916735 /nfs/dbraw/zinc/91/67/35/436916735.db2.gz DRSKPXUNVUCLEP-UHFFFAOYSA-N 1 1 342.443 0.826 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000293953252 436920855 /nfs/dbraw/zinc/92/08/55/436920855.db2.gz KHEMLCSNSFKSNS-UHFFFAOYSA-N 1 1 327.388 0.256 20 30 ECEDMO Cc1oc(C#N)cc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000281406169 436966275 /nfs/dbraw/zinc/96/62/75/436966275.db2.gz WSWMKPVQDIITAE-OAHLLOKOSA-N 1 1 330.388 0.838 20 30 ECEDMO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000295505033 436968563 /nfs/dbraw/zinc/96/85/63/436968563.db2.gz HNSCIQIOXQQZBI-UHFFFAOYSA-N 1 1 341.408 0.527 20 30 ECEDMO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000295505033 436968569 /nfs/dbraw/zinc/96/85/69/436968569.db2.gz HNSCIQIOXQQZBI-UHFFFAOYSA-N 1 1 341.408 0.527 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N2CCC[N@H+](C3CC3)CC2)cc1 ZINC000171117888 436968929 /nfs/dbraw/zinc/96/89/29/436968929.db2.gz FNPSXENGEKZOTD-UHFFFAOYSA-N 1 1 326.400 0.985 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc(OCC(=O)NC)c(OC)c1 ZINC000294082625 436933718 /nfs/dbraw/zinc/93/37/18/436933718.db2.gz WTRYFJGVPDDBAH-UHFFFAOYSA-N 1 1 347.415 0.505 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000294112752 436934901 /nfs/dbraw/zinc/93/49/01/436934901.db2.gz ZDLYESIVCMXQSG-UHFFFAOYSA-N 1 1 337.445 0.672 20 30 ECEDMO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000280961332 436936304 /nfs/dbraw/zinc/93/63/04/436936304.db2.gz JRBCWHKWNABKHJ-UHFFFAOYSA-N 1 1 326.397 0.716 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2cc(OC)ccn2)CC1 ZINC000296714747 436997863 /nfs/dbraw/zinc/99/78/63/436997863.db2.gz BQWMEEMHPPJRBX-UHFFFAOYSA-N 1 1 345.447 0.877 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCN(c2cc(OC)ccn2)CC1 ZINC000296714747 436997867 /nfs/dbraw/zinc/99/78/67/436997867.db2.gz BQWMEEMHPPJRBX-UHFFFAOYSA-N 1 1 345.447 0.877 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000296889441 436998431 /nfs/dbraw/zinc/99/84/31/436998431.db2.gz MFRSEEWULPRZJG-UHFFFAOYSA-N 1 1 332.404 0.702 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[C@@H](c2nc(C)no2)O1 ZINC000296921725 436999065 /nfs/dbraw/zinc/99/90/65/436999065.db2.gz OIMKEHXTPVQFJE-KGLIPLIRSA-N 1 1 335.408 0.852 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000297578821 437008898 /nfs/dbraw/zinc/00/88/98/437008898.db2.gz AMCZJEBTSDZBLQ-UHFFFAOYSA-N 1 1 338.452 0.034 20 30 ECEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000284823819 437073720 /nfs/dbraw/zinc/07/37/20/437073720.db2.gz AROYPYYDAVOPQO-BLLLJJGKSA-N 1 1 337.445 0.573 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285055940 437076464 /nfs/dbraw/zinc/07/64/64/437076464.db2.gz OIORMUYHGFUNRV-YVEFUNNKSA-N 1 1 348.378 0.383 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285055940 437076466 /nfs/dbraw/zinc/07/64/66/437076466.db2.gz OIORMUYHGFUNRV-YVEFUNNKSA-N 1 1 348.378 0.383 20 30 ECEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276281413 437083457 /nfs/dbraw/zinc/08/34/57/437083457.db2.gz FMFGNXPZGLDRPL-VFZGTOFNSA-N 1 1 336.779 0.461 20 30 ECEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276281413 437083460 /nfs/dbraw/zinc/08/34/60/437083460.db2.gz FMFGNXPZGLDRPL-VFZGTOFNSA-N 1 1 336.779 0.461 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000174867597 437089108 /nfs/dbraw/zinc/08/91/08/437089108.db2.gz NXRSAOAIQSZBCW-MSOLQXFVSA-N 1 1 342.443 0.944 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000174867597 437089111 /nfs/dbraw/zinc/08/91/11/437089111.db2.gz NXRSAOAIQSZBCW-MSOLQXFVSA-N 1 1 342.443 0.944 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000265374740 303191423 /nfs/dbraw/zinc/19/14/23/303191423.db2.gz PIRMPMNJVHCPES-HOTGVXAUSA-N 1 1 335.429 0.146 20 30 ECEDMO C=CCC[N@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000276343562 437091570 /nfs/dbraw/zinc/09/15/70/437091570.db2.gz CMTRFTZYFDDOPC-UHFFFAOYSA-N 1 1 343.435 0.520 20 30 ECEDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000176011067 437128794 /nfs/dbraw/zinc/12/87/94/437128794.db2.gz NDRQGXYUFUZLKE-CQSZACIVSA-N 1 1 348.378 0.551 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000177230410 437175260 /nfs/dbraw/zinc/17/52/60/437175260.db2.gz JCXBBOOJGGFPKM-AYBZRNKSSA-N 1 1 345.443 0.950 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)NC1CC[NH+](CCOC(C)C)CC1 ZINC000177487475 437188515 /nfs/dbraw/zinc/18/85/15/437188515.db2.gz MEZCRFSBNNEQTE-CQSZACIVSA-N 1 1 340.468 0.866 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000332054589 437202317 /nfs/dbraw/zinc/20/23/17/437202317.db2.gz WYAMNCVVMMYMSR-IUODEOHRSA-N 1 1 327.450 0.879 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000332054589 437202321 /nfs/dbraw/zinc/20/23/21/437202321.db2.gz WYAMNCVVMMYMSR-IUODEOHRSA-N 1 1 327.450 0.879 20 30 ECEDMO Cc1nsc(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1C#N ZINC000333309204 437266988 /nfs/dbraw/zinc/26/69/88/437266988.db2.gz LKHIZKOJXFTCTG-LLVKDONJSA-N 1 1 348.432 0.751 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000332444227 437223048 /nfs/dbraw/zinc/22/30/48/437223048.db2.gz XQRNTLFSMUFTFV-OWIUFQIYSA-N 1 1 347.463 0.871 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000332444227 437223050 /nfs/dbraw/zinc/22/30/50/437223050.db2.gz XQRNTLFSMUFTFV-OWIUFQIYSA-N 1 1 347.463 0.871 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)N(C(C)=O)C1 ZINC000328607638 437239284 /nfs/dbraw/zinc/23/92/84/437239284.db2.gz LIGSEKNVERWBBV-ARFHVFGLSA-N 1 1 341.452 0.936 20 30 ECEDMO C[C@H](NC(=O)C[N@@H+](C)CC1(O)CCOCC1)C(=O)N1CCCCC1 ZINC000328613467 437239685 /nfs/dbraw/zinc/23/96/85/437239685.db2.gz QJVHKGKHNHYILL-AWEZNQCLSA-N 1 1 341.452 0.817 20 30 ECEDMO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](CC)C1)C(=O)N1CCOCC1 ZINC000328689939 437252956 /nfs/dbraw/zinc/25/29/56/437252956.db2.gz DFJJRRAAKICXKL-CABCVRRESA-N 1 1 340.468 0.859 20 30 ECEDMO C[NH+](C)[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1 ZINC000336901932 437307993 /nfs/dbraw/zinc/30/79/93/437307993.db2.gz CBYPMBRGMYRWPK-HUUCEWRRSA-N 1 1 338.433 0.348 20 30 ECEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000336905392 437308604 /nfs/dbraw/zinc/30/86/04/437308604.db2.gz DSMDFACNZVSNBX-KGLIPLIRSA-N 1 1 344.481 0.556 20 30 ECEDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000336918776 437311605 /nfs/dbraw/zinc/31/16/05/437311605.db2.gz OTSPQXFMDWTXBO-AWEZNQCLSA-N 1 1 344.481 0.509 20 30 ECEDMO CS(=O)(=O)N1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000328837393 437271178 /nfs/dbraw/zinc/27/11/78/437271178.db2.gz XTRPXZBZSYVBAX-MCIONIFRSA-N 1 1 344.481 0.398 20 30 ECEDMO CC(C)[C@H](CNC(=O)N(C)[C@H]1CCNC1=O)N1CC[NH+](C)CC1 ZINC000328883451 437279068 /nfs/dbraw/zinc/27/90/68/437279068.db2.gz MFLVPQKZFPNADT-KBPBESRZSA-N 1 1 325.457 0.833 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000329243227 437341154 /nfs/dbraw/zinc/34/11/54/437341154.db2.gz SSRNBMXSSXNMMY-AWEZNQCLSA-N 1 1 340.493 0.894 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000329267942 437344325 /nfs/dbraw/zinc/34/43/25/437344325.db2.gz HXYDGCORQVMSLB-DGCLKSJQSA-N 1 1 331.438 0.230 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000329267942 437344332 /nfs/dbraw/zinc/34/43/32/437344332.db2.gz HXYDGCORQVMSLB-DGCLKSJQSA-N 1 1 331.438 0.230 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000182672080 437357665 /nfs/dbraw/zinc/35/76/65/437357665.db2.gz OOCZIEWVQJHNEE-HNNXBMFYSA-N 1 1 347.488 0.704 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000278957835 437360527 /nfs/dbraw/zinc/36/05/27/437360527.db2.gz WGLHAOLXERSZGM-LJQANCHMSA-N 1 1 345.443 0.774 20 30 ECEDMO C[C@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)CN1CC[NH+](C)CC1 ZINC000329407488 437364527 /nfs/dbraw/zinc/36/45/27/437364527.db2.gz CLAOXAIFKLCQQS-CYBMUJFWSA-N 1 1 337.472 1.243 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)c1 ZINC000337030579 437323175 /nfs/dbraw/zinc/32/31/75/437323175.db2.gz DAQBAYXGUGGTDE-ZDUSSCGKSA-N 1 1 325.376 0.763 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)n1 ZINC000278666057 437330864 /nfs/dbraw/zinc/33/08/64/437330864.db2.gz AHBRGXJLGGHDDX-OAHLLOKOSA-N 1 1 333.436 0.769 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000337162883 437337379 /nfs/dbraw/zinc/33/73/79/437337379.db2.gz WDXPLORAKJLAGH-HUUCEWRRSA-N 1 1 346.497 0.803 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@]3(CCCOC3)C2)C1 ZINC000329225864 437337574 /nfs/dbraw/zinc/33/75/74/437337574.db2.gz GWPKBAGCBPWIOF-GOEBONIOSA-N 1 1 327.425 0.503 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1 ZINC000338370348 437407024 /nfs/dbraw/zinc/40/70/24/437407024.db2.gz NQLSGSFTHGZZHZ-HNJNHCNJSA-N 1 1 340.383 0.189 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1 ZINC000338370348 437407027 /nfs/dbraw/zinc/40/70/27/437407027.db2.gz NQLSGSFTHGZZHZ-HNJNHCNJSA-N 1 1 340.383 0.189 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000329812291 437416278 /nfs/dbraw/zinc/41/62/78/437416278.db2.gz CFYHSZIDSMAMBE-ZDUSSCGKSA-N 1 1 330.396 0.234 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CC(F)(F)C2)CC1 ZINC000330226419 437472091 /nfs/dbraw/zinc/47/20/91/437472091.db2.gz BLMKNHKSJNYVQB-GFCCVEGCSA-N 1 1 330.379 0.937 20 30 ECEDMO CC(C)N1C[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000330237243 437473241 /nfs/dbraw/zinc/47/32/41/437473241.db2.gz HNVNWJBZAMOORI-ZIAGYGMSSA-N 1 1 326.441 0.468 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000330253434 437475243 /nfs/dbraw/zinc/47/52/43/437475243.db2.gz IWEASVRZQOMDNO-ZIAGYGMSSA-N 1 1 338.452 0.706 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCc2ncnn2C1 ZINC000330257112 437475960 /nfs/dbraw/zinc/47/59/60/437475960.db2.gz LEMFJINJFWVRQX-KGLIPLIRSA-N 1 1 348.451 0.692 20 30 ECEDMO N#CCC1(O)CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000186800745 437485682 /nfs/dbraw/zinc/48/56/82/437485682.db2.gz PURROVPRQCKLLT-MRXNPFEDSA-N 1 1 329.400 0.764 20 30 ECEDMO N#CCC1(O)CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000186800745 437485688 /nfs/dbraw/zinc/48/56/88/437485688.db2.gz PURROVPRQCKLLT-MRXNPFEDSA-N 1 1 329.400 0.764 20 30 ECEDMO CS(=O)(=O)N1CCN(CC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329939059 437434510 /nfs/dbraw/zinc/43/45/10/437434510.db2.gz FJZDJUARBQFIOQ-CYBMUJFWSA-N 1 1 344.481 0.004 20 30 ECEDMO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000339049477 437438147 /nfs/dbraw/zinc/43/81/47/437438147.db2.gz ZGIKVEODGXMNEO-SNVBAGLBSA-N 1 1 336.373 0.981 20 30 ECEDMO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000339049477 437438153 /nfs/dbraw/zinc/43/81/53/437438153.db2.gz ZGIKVEODGXMNEO-SNVBAGLBSA-N 1 1 336.373 0.981 20 30 ECEDMO C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)NCc3ccc(F)cc3)C[C@H]2C1 ZINC000329968773 437440367 /nfs/dbraw/zinc/44/03/67/437440367.db2.gz WGGQIQAVMSXLCA-OKILXGFUSA-N 1 1 334.395 0.849 20 30 ECEDMO C[C@H](NC(N)=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000185525090 437441617 /nfs/dbraw/zinc/44/16/17/437441617.db2.gz LRZOMJOMIYLOEK-ZDUSSCGKSA-N 1 1 329.404 0.649 20 30 ECEDMO C[C@H](NC(N)=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000185525090 437441622 /nfs/dbraw/zinc/44/16/22/437441622.db2.gz LRZOMJOMIYLOEK-ZDUSSCGKSA-N 1 1 329.404 0.649 20 30 ECEDMO CCCN1CCCN(C(=O)NCC[NH+]2CCSCC2)CC1=O ZINC000329989155 437443215 /nfs/dbraw/zinc/44/32/15/437443215.db2.gz UVZNWYOBJQCOIR-UHFFFAOYSA-N 1 1 328.482 0.894 20 30 ECEDMO C[C@@H](CNC(=O)N1CCc2c(ncn(C)c2=O)C1)C[NH+]1CCOCC1 ZINC000330076881 437451637 /nfs/dbraw/zinc/45/16/37/437451637.db2.gz DYSRYJBXWUQJPO-ZDUSSCGKSA-N 1 1 349.435 0.021 20 30 ECEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000289987647 437454657 /nfs/dbraw/zinc/45/46/57/437454657.db2.gz HALGRNCZQKDSRN-CYBMUJFWSA-N 1 1 334.424 0.972 20 30 ECEDMO C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1nncn1C ZINC000330105977 437455241 /nfs/dbraw/zinc/45/52/41/437455241.db2.gz KFBAXDCLDXTLIR-STQMWFEESA-N 1 1 349.439 0.029 20 30 ECEDMO C[C@H](CNC(=O)N1CC[C@H](N2CCCC2=O)C1)C[NH+]1CCOCC1 ZINC000330118704 437457576 /nfs/dbraw/zinc/45/75/76/437457576.db2.gz YWILRQNPKZFRFT-CABCVRRESA-N 1 1 338.452 0.565 20 30 ECEDMO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC1(O)CCOCC1 ZINC000186956907 437487751 /nfs/dbraw/zinc/48/77/51/437487751.db2.gz SWJBOVVLHJWMFI-UHFFFAOYSA-N 1 1 338.429 0.805 20 30 ECEDMO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC1(O)CCOCC1 ZINC000186956907 437487753 /nfs/dbraw/zinc/48/77/53/437487753.db2.gz SWJBOVVLHJWMFI-UHFFFAOYSA-N 1 1 338.429 0.805 20 30 ECEDMO Cc1cc(N2CCC(NC(=O)NC[C@@H]3COCCO3)CC2)nc(C)[nH+]1 ZINC000330169081 437463173 /nfs/dbraw/zinc/46/31/73/437463173.db2.gz BDYJRPOQCSJUJF-OAHLLOKOSA-N 1 1 349.435 0.981 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]Cc3ccccc32)C1=O ZINC000269187124 437465501 /nfs/dbraw/zinc/46/55/01/437465501.db2.gz UCWRPSFOMOZGSE-UHFFFAOYSA-N 1 1 342.355 0.100 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000339767169 437502447 /nfs/dbraw/zinc/50/24/47/437502447.db2.gz ZNOXHRHQZPFPIA-UHFFFAOYSA-N 1 1 331.416 0.779 20 30 ECEDMO N#C[C@H]1CCC[C@@H]1NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000360069219 437514061 /nfs/dbraw/zinc/51/40/61/437514061.db2.gz CSLGOSCDUJMGCH-CVEARBPZSA-N 1 1 337.468 0.368 20 30 ECEDMO CCNC(=O)N1CCN(C(=O)[C@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CC1 ZINC000330465984 437520552 /nfs/dbraw/zinc/52/05/52/437520552.db2.gz WKYDHKFTYHUPNH-GJZGRUSLSA-N 1 1 340.468 0.954 20 30 ECEDMO CCNC(=O)N1CCN(C(=O)[C@H](CC)[N@H+]2CCO[C@@H](CC)C2)CC1 ZINC000330465984 437520561 /nfs/dbraw/zinc/52/05/61/437520561.db2.gz WKYDHKFTYHUPNH-GJZGRUSLSA-N 1 1 340.468 0.954 20 30 ECEDMO Cc1[nH+]c(CNc2c(C#N)c(=O)n(C)c(=O)n2C)c2n1CCCC2 ZINC000360131656 437530963 /nfs/dbraw/zinc/53/09/63/437530963.db2.gz TYIOIHDTVVSLHD-UHFFFAOYSA-N 1 1 328.376 0.409 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000330506493 437533614 /nfs/dbraw/zinc/53/36/14/437533614.db2.gz DBXNGISJFQITAQ-GFCCVEGCSA-N 1 1 345.421 0.588 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000330544682 437547080 /nfs/dbraw/zinc/54/70/80/437547080.db2.gz BQLTXWMYKYBHAP-QGZVFWFLSA-N 1 1 336.436 0.198 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000330604622 437564620 /nfs/dbraw/zinc/56/46/20/437564620.db2.gz LLWYGYUWIPNEHP-UHFFFAOYSA-N 1 1 346.478 0.338 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000330671936 437584998 /nfs/dbraw/zinc/58/49/98/437584998.db2.gz NNGDIDKPSFVPDZ-ZDUSSCGKSA-N 1 1 337.445 0.927 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000330671936 437585003 /nfs/dbraw/zinc/58/50/03/437585003.db2.gz NNGDIDKPSFVPDZ-ZDUSSCGKSA-N 1 1 337.445 0.927 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000330878732 437640613 /nfs/dbraw/zinc/64/06/13/437640613.db2.gz LRQMGDAONWZYFF-UONOGXRCSA-N 1 1 326.441 0.468 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000330878732 437640617 /nfs/dbraw/zinc/64/06/17/437640617.db2.gz LRQMGDAONWZYFF-UONOGXRCSA-N 1 1 326.441 0.468 20 30 ECEDMO C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000340378094 437641327 /nfs/dbraw/zinc/64/13/27/437641327.db2.gz WXMAIYYHSGFMIP-ZDUSSCGKSA-N 1 1 338.452 0.174 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000340396087 437641676 /nfs/dbraw/zinc/64/16/76/437641676.db2.gz QBVQKHINDWXWID-INIZCTEOSA-N 1 1 344.459 0.958 20 30 ECEDMO C[C@@](C#N)(NC(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)C1CC1 ZINC000360778304 437647425 /nfs/dbraw/zinc/64/74/25/437647425.db2.gz VNIQPEOMXJEMTB-YJBOKZPZSA-N 1 1 347.463 0.209 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2ccsc2)C[C@H]1C ZINC000330960889 437657333 /nfs/dbraw/zinc/65/73/33/437657333.db2.gz JIUDGCOJWRRZCR-NEPJUHHUSA-N 1 1 325.434 0.966 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](CC(N)=O)C2)CC1 ZINC000330967959 437659337 /nfs/dbraw/zinc/65/93/37/437659337.db2.gz AJVJDPQDWOAWSX-GFCCVEGCSA-N 1 1 339.440 0.748 20 30 ECEDMO C=CCCO[C@H](C)C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000354944627 437659927 /nfs/dbraw/zinc/65/99/27/437659927.db2.gz RHWLKCDUTDDWHH-CQSZACIVSA-N 1 1 349.435 0.577 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340501850 437674227 /nfs/dbraw/zinc/67/42/27/437674227.db2.gz VMFOLRNIEMQJJS-DZKIICNBSA-N 1 1 335.448 0.684 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(C)[C@H]2C)CC1 ZINC000343898551 437689180 /nfs/dbraw/zinc/68/91/80/437689180.db2.gz ZNFJSOBQOAVNAF-GOEBONIOSA-N 1 1 336.480 0.742 20 30 ECEDMO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1(CO)CCOCC1 ZINC000343905656 437691204 /nfs/dbraw/zinc/69/12/04/437691204.db2.gz JTTJEVRDKVIQJU-UHFFFAOYSA-N 1 1 339.417 0.200 20 30 ECEDMO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1(CO)CCOCC1 ZINC000343905656 437691207 /nfs/dbraw/zinc/69/12/07/437691207.db2.gz JTTJEVRDKVIQJU-UHFFFAOYSA-N 1 1 339.417 0.200 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCCc2cscn2)CC1 ZINC000331096401 437687066 /nfs/dbraw/zinc/68/70/66/437687066.db2.gz CDEPAQKFBKZYJC-UHFFFAOYSA-N 1 1 325.438 0.400 20 30 ECEDMO CO[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@H]1OC ZINC000331100320 437687228 /nfs/dbraw/zinc/68/72/28/437687228.db2.gz FMNXWOPXQLNUKO-IWSPIJDZSA-N 1 1 327.303 0.313 20 30 ECEDMO C[C@H](CCNC(=O)N1CC[NH+](C2CCOCC2)CC1)[S@](C)=O ZINC000331142502 437697195 /nfs/dbraw/zinc/69/71/95/437697195.db2.gz XVPMCRABKSLBDZ-DMZKTXOQSA-N 1 1 331.482 0.854 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000331166390 437704236 /nfs/dbraw/zinc/70/42/36/437704236.db2.gz GUYNZTJSIYSEDT-RYUDHWBXSA-N 1 1 334.424 1.065 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000331166390 437704242 /nfs/dbraw/zinc/70/42/42/437704242.db2.gz GUYNZTJSIYSEDT-RYUDHWBXSA-N 1 1 334.424 1.065 20 30 ECEDMO CN(C)c1nc(N2CCN(C(=O)c3ccc(C#N)o3)CC2)cc[nH+]1 ZINC000340605857 437699824 /nfs/dbraw/zinc/69/98/24/437699824.db2.gz JEEHTKXKBQEUCW-UHFFFAOYSA-N 1 1 326.360 0.970 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000193576813 437710869 /nfs/dbraw/zinc/71/08/69/437710869.db2.gz KUHATLKZWIIFIT-HNNXBMFYSA-N 1 1 327.388 0.332 20 30 ECEDMO CC(C)[N@@H+](C)CCNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000331201731 437714928 /nfs/dbraw/zinc/71/49/28/437714928.db2.gz BBACJMIHHQBMGL-CQSZACIVSA-N 1 1 346.497 0.741 20 30 ECEDMO CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H](C)C#N ZINC000356479606 437769704 /nfs/dbraw/zinc/76/97/04/437769704.db2.gz RPBOCQYLRWHVAE-OAHLLOKOSA-N 1 1 330.436 0.997 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292773149 437721776 /nfs/dbraw/zinc/72/17/76/437721776.db2.gz PJRPGZLVQINUFV-LBPRGKRZSA-N 1 1 341.433 0.335 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292773149 437721780 /nfs/dbraw/zinc/72/17/80/437721780.db2.gz PJRPGZLVQINUFV-LBPRGKRZSA-N 1 1 341.433 0.335 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000344059379 437725251 /nfs/dbraw/zinc/72/52/51/437725251.db2.gz LSYNZQKGOYYIDF-QGZVFWFLSA-N 1 1 331.464 0.900 20 30 ECEDMO CN(CCCN(C)[C@@H](C(N)=O)c1ccc(C#N)cc1)CC[NH+](C)C ZINC000344059379 437725256 /nfs/dbraw/zinc/72/52/56/437725256.db2.gz LSYNZQKGOYYIDF-QGZVFWFLSA-N 1 1 331.464 0.900 20 30 ECEDMO CN(C[C@@H](O)C(F)(F)F)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331279267 437731850 /nfs/dbraw/zinc/73/18/50/437731850.db2.gz SWXCWEWXGDVSMJ-LLVKDONJSA-N 1 1 340.390 0.781 20 30 ECEDMO C[N@H+](CCC#N)C[C@H](O)Cn1cc(I)cn1 ZINC000331303016 437737215 /nfs/dbraw/zinc/73/72/15/437737215.db2.gz AIFRJXFPIRXZRA-JTQLQIEISA-N 1 1 334.161 0.694 20 30 ECEDMO C[N@@H+](CCC#N)C[C@H](O)Cn1cc(I)cn1 ZINC000331303016 437737218 /nfs/dbraw/zinc/73/72/18/437737218.db2.gz AIFRJXFPIRXZRA-JTQLQIEISA-N 1 1 334.161 0.694 20 30 ECEDMO C=CCN(CC=C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000346763508 437821083 /nfs/dbraw/zinc/82/10/83/437821083.db2.gz DAQILVBHVMCNFF-INIZCTEOSA-N 1 1 335.448 0.900 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)CC1 ZINC000345025894 437776944 /nfs/dbraw/zinc/77/69/44/437776944.db2.gz XSELTLLBNKUTTN-GFCCVEGCSA-N 1 1 329.466 0.902 20 30 ECEDMO N#Cc1ccc(NCC(=O)NCC[N@H+]2CCc3ccccc3C2)nc1 ZINC000345534410 437792340 /nfs/dbraw/zinc/79/23/40/437792340.db2.gz FFLYAOZYUXUZFM-UHFFFAOYSA-N 1 1 335.411 1.540 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C)[C@H]2C)CC1 ZINC000341134940 437800545 /nfs/dbraw/zinc/80/05/45/437800545.db2.gz YMQSHUZCHBDVCM-ZACQAIPSSA-N 1 1 335.496 0.703 20 30 ECEDMO COC(=O)c1cn([C@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)nn1 ZINC000346533263 437813444 /nfs/dbraw/zinc/81/34/44/437813444.db2.gz NLKRKCOBYCJYBG-NEPJUHHUSA-N 1 1 346.391 0.262 20 30 ECEDMO COC(=O)c1cn([C@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)nn1 ZINC000346533263 437813447 /nfs/dbraw/zinc/81/34/47/437813447.db2.gz NLKRKCOBYCJYBG-NEPJUHHUSA-N 1 1 346.391 0.262 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000371386394 437929311 /nfs/dbraw/zinc/92/93/11/437929311.db2.gz ALLBAGNEYQMPEU-CQSZACIVSA-N 1 1 348.447 0.723 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)nn1CCC#N ZINC000341830105 437904936 /nfs/dbraw/zinc/90/49/36/437904936.db2.gz YXHOCEHHZNVVAP-KRWDZBQOSA-N 1 1 344.419 0.598 20 30 ECEDMO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000341983040 437934762 /nfs/dbraw/zinc/93/47/62/437934762.db2.gz SXNCOVVWPIMBRL-UONOGXRCSA-N 1 1 336.436 0.351 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000371479233 437942642 /nfs/dbraw/zinc/94/26/42/437942642.db2.gz DZCCSCOYJFTVRM-CZUORRHYSA-N 1 1 348.451 0.404 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[C@@H]2N2CCOCC2)CC1 ZINC000371566444 437957600 /nfs/dbraw/zinc/95/76/00/437957600.db2.gz WUNMOCNLIKUGQO-MSOLQXFVSA-N 1 1 333.476 0.949 20 30 ECEDMO COC(=O)[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@H+](C)C1 ZINC000416592603 437968780 /nfs/dbraw/zinc/96/87/80/437968780.db2.gz UYLFYBDLWVBVNZ-GFCCVEGCSA-N 1 1 329.422 0.047 20 30 ECEDMO COC(=O)[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@@H+](C)C1 ZINC000416592603 437968784 /nfs/dbraw/zinc/96/87/84/437968784.db2.gz UYLFYBDLWVBVNZ-GFCCVEGCSA-N 1 1 329.422 0.047 20 30 ECEDMO C=CCCn1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)nn1 ZINC000424644112 437981784 /nfs/dbraw/zinc/98/17/84/437981784.db2.gz MTNRRXKMXPIGFY-ZDUSSCGKSA-N 1 1 334.424 0.171 20 30 ECEDMO CC(C)C[C@@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000342400710 438015159 /nfs/dbraw/zinc/01/51/59/438015159.db2.gz NHRBRSKQFSATLR-KBPBESRZSA-N 1 1 334.424 0.574 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)nn1 ZINC000425394932 438024325 /nfs/dbraw/zinc/02/43/25/438024325.db2.gz GOFFEJAPOXMYLZ-HNNXBMFYSA-N 1 1 336.440 0.620 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000425879564 438046101 /nfs/dbraw/zinc/04/61/01/438046101.db2.gz IZYOANADLYOJPC-FZKCQIBNSA-N 1 1 337.464 0.930 20 30 ECEDMO C#CC[C@H](C)NC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000366640981 438107854 /nfs/dbraw/zinc/10/78/54/438107854.db2.gz IDFSXEBGJTXJST-DLBZAZTESA-N 1 1 336.480 0.835 20 30 ECEDMO N#CCC1(CNC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000430681592 438120266 /nfs/dbraw/zinc/12/02/66/438120266.db2.gz CCUPPOSLKIJEFT-UHFFFAOYSA-N 1 1 337.468 0.370 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000358052861 438134846 /nfs/dbraw/zinc/13/48/46/438134846.db2.gz VEPJTVDWFDGSFQ-HNNXBMFYSA-N 1 1 336.779 0.333 20 30 ECEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 ZINC000349299994 438147746 /nfs/dbraw/zinc/14/77/46/438147746.db2.gz JJZFIUWOXPIOHQ-CQSZACIVSA-N 1 1 346.435 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)C1=O ZINC000374052445 438184274 /nfs/dbraw/zinc/18/42/74/438184274.db2.gz QNPZPRRBGADAAP-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@](COC)(C(=O)OCC)C1 ZINC000374170041 438191681 /nfs/dbraw/zinc/19/16/81/438191681.db2.gz GEBROTANLVHRDV-INIZCTEOSA-N 1 1 341.408 0.290 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@](COC)(C(=O)OCC)C1 ZINC000374170041 438191685 /nfs/dbraw/zinc/19/16/85/438191685.db2.gz GEBROTANLVHRDV-INIZCTEOSA-N 1 1 341.408 0.290 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418534300 438157171 /nfs/dbraw/zinc/15/71/71/438157171.db2.gz AGODBFHQHGLJJY-SNVBAGLBSA-N 1 1 339.350 0.162 20 30 ECEDMO N#C[C@H]1CN(C(=O)NCC(F)(F)C[NH3+])C[C@@]12c1ccccc1NC2=O ZINC000418537128 438158621 /nfs/dbraw/zinc/15/86/21/438158621.db2.gz ICRJDBUFPXMCOE-QFYYESIMSA-N 1 1 349.341 0.635 20 30 ECEDMO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000374727372 438226843 /nfs/dbraw/zinc/22/68/43/438226843.db2.gz AHCXEDYRNFMEQD-UHFFFAOYSA-N 1 1 346.416 0.634 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000374457497 438211340 /nfs/dbraw/zinc/21/13/40/438211340.db2.gz DYBQHURSNFGYRI-GFCCVEGCSA-N 1 1 325.438 0.688 20 30 ECEDMO CC[N@@H+]1CCO[C@H](CN2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC000376185527 438272273 /nfs/dbraw/zinc/27/22/73/438272273.db2.gz CFJNKNHSWMBXDL-INIZCTEOSA-N 1 1 330.436 0.499 20 30 ECEDMO CC[N@H+]1CCO[C@H](CN2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC000376185527 438272275 /nfs/dbraw/zinc/27/22/75/438272275.db2.gz CFJNKNHSWMBXDL-INIZCTEOSA-N 1 1 330.436 0.499 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000376150989 438272698 /nfs/dbraw/zinc/27/26/98/438272698.db2.gz UKCBKICREVAWTF-OAHLLOKOSA-N 1 1 336.436 0.462 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000376271736 438277294 /nfs/dbraw/zinc/27/72/94/438277294.db2.gz DJQVMVAWULJXLH-MRXNPFEDSA-N 1 1 343.431 0.838 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000376329399 438280233 /nfs/dbraw/zinc/28/02/33/438280233.db2.gz AUAOHYZBXQGXGC-INIZCTEOSA-N 1 1 343.431 0.632 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC(=O)NCC#N ZINC000376566157 438285822 /nfs/dbraw/zinc/28/58/22/438285822.db2.gz SBNBXTNNASYHMR-ZFWWWQNUSA-N 1 1 329.404 0.446 20 30 ECEDMO C#CC[C@H](C)NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000377911468 438332635 /nfs/dbraw/zinc/33/26/35/438332635.db2.gz KONAWQYGQNVJHC-HNNXBMFYSA-N 1 1 334.464 0.984 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000420211033 438394676 /nfs/dbraw/zinc/39/46/76/438394676.db2.gz VIAKRQWQZMQTES-UHFFFAOYSA-N 1 1 344.459 0.741 20 30 ECEDMO CNC(=O)C[N@@H+]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000378352705 438378824 /nfs/dbraw/zinc/37/88/24/438378824.db2.gz VRTGFLHLBHGRLC-UHFFFAOYSA-N 1 1 326.404 0.460 20 30 ECEDMO CNC(=O)C[N@H+]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000378352705 438378828 /nfs/dbraw/zinc/37/88/28/438378828.db2.gz VRTGFLHLBHGRLC-UHFFFAOYSA-N 1 1 326.404 0.460 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000368803554 438379535 /nfs/dbraw/zinc/37/95/35/438379535.db2.gz XNJLBKZLBPFLTG-AWEZNQCLSA-N 1 1 332.408 0.132 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000368803554 438379540 /nfs/dbraw/zinc/37/95/40/438379540.db2.gz XNJLBKZLBPFLTG-AWEZNQCLSA-N 1 1 332.408 0.132 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352227201 438399905 /nfs/dbraw/zinc/39/99/05/438399905.db2.gz LXLYEDOYNFZUBF-AWEZNQCLSA-N 1 1 345.451 0.425 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352247357 438401303 /nfs/dbraw/zinc/40/13/03/438401303.db2.gz XUQLFOLPLVRJKZ-LBPRGKRZSA-N 1 1 342.465 0.199 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000359347671 438416070 /nfs/dbraw/zinc/41/60/70/438416070.db2.gz STSZALLIFOOGSH-CVEARBPZSA-N 1 1 349.479 0.243 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369348046 438458040 /nfs/dbraw/zinc/45/80/40/438458040.db2.gz RQCPOOZRTZOKQB-FUHWJXTLSA-N 1 1 335.496 0.753 20 30 ECEDMO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1(CO)CC1 ZINC000353021433 438499353 /nfs/dbraw/zinc/49/93/53/438499353.db2.gz KDDVHDMMVGRUJF-CQSZACIVSA-N 1 1 348.472 0.914 20 30 ECEDMO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1(CO)CC1 ZINC000353021433 438499356 /nfs/dbraw/zinc/49/93/56/438499356.db2.gz KDDVHDMMVGRUJF-CQSZACIVSA-N 1 1 348.472 0.914 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2ccc(C#N)s2)CC1 ZINC000422140990 438526851 /nfs/dbraw/zinc/52/68/51/438526851.db2.gz DFPFAEPZOYEVAM-UHFFFAOYSA-N 1 1 335.433 0.583 20 30 ECEDMO C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050924 438545937 /nfs/dbraw/zinc/54/59/37/438545937.db2.gz UGDUNJJXFUXEPN-HOTGVXAUSA-N 1 1 334.464 0.934 20 30 ECEDMO C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050924 438545942 /nfs/dbraw/zinc/54/59/42/438545942.db2.gz UGDUNJJXFUXEPN-HOTGVXAUSA-N 1 1 334.464 0.934 20 30 ECEDMO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000408432285 438573238 /nfs/dbraw/zinc/57/32/38/438573238.db2.gz MJGRJOOUGPRLNE-NSHDSACASA-N 1 1 336.373 0.935 20 30 ECEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C[C@@H]1C ZINC000441116959 438577344 /nfs/dbraw/zinc/57/73/44/438577344.db2.gz LIOPSMFSQHSBQJ-QWHCGFSZSA-N 1 1 346.435 1.215 20 30 ECEDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C[C@@H]1C ZINC000441116959 438577347 /nfs/dbraw/zinc/57/73/47/438577347.db2.gz LIOPSMFSQHSBQJ-QWHCGFSZSA-N 1 1 346.435 1.215 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000410528807 438598859 /nfs/dbraw/zinc/59/88/59/438598859.db2.gz MRSZRUVLEULMHU-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000410528807 438598861 /nfs/dbraw/zinc/59/88/61/438598861.db2.gz MRSZRUVLEULMHU-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC(C)(C)CC#N)CCCO1 ZINC000422385979 438561105 /nfs/dbraw/zinc/56/11/05/438561105.db2.gz YIBIZWJMQIGEQL-CQSZACIVSA-N 1 1 338.452 0.660 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000452032228 438628858 /nfs/dbraw/zinc/62/88/58/438628858.db2.gz ACXYEAXHOINCSS-UHFFFAOYSA-N 1 1 336.358 0.957 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452393700 438661001 /nfs/dbraw/zinc/66/10/01/438661001.db2.gz SWZRFSHKPCJXKQ-HNNXBMFYSA-N 1 1 347.415 0.909 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000447388934 438676599 /nfs/dbraw/zinc/67/65/99/438676599.db2.gz YDMORUOLZSKUFW-QLFBSQMISA-N 1 1 327.425 0.093 20 30 ECEDMO C[N@@H+](CC(=O)N(CCC#N)CCC#N)C(C)(C)CN1CCOCC1 ZINC000412090294 438685483 /nfs/dbraw/zinc/68/54/83/438685483.db2.gz KHYXBQXIEJOLRN-UHFFFAOYSA-N 1 1 335.452 0.685 20 30 ECEDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@@H]1C ZINC000453710460 438690933 /nfs/dbraw/zinc/69/09/33/438690933.db2.gz DHCPCNLSNHENCX-UONOGXRCSA-N 1 1 344.415 0.605 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@@H]1C ZINC000453710460 438690936 /nfs/dbraw/zinc/69/09/36/438690936.db2.gz DHCPCNLSNHENCX-UONOGXRCSA-N 1 1 344.415 0.605 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000497225384 438781662 /nfs/dbraw/zinc/78/16/62/438781662.db2.gz FLLKLZPJFGVZFH-UHFFFAOYSA-N 1 1 340.424 0.986 20 30 ECEDMO N#CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000588128810 438821094 /nfs/dbraw/zinc/82/10/94/438821094.db2.gz LZMSBNRALZXXLF-MRXNPFEDSA-N 1 1 347.463 0.224 20 30 ECEDMO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000514798304 438832201 /nfs/dbraw/zinc/83/22/01/438832201.db2.gz HZSYSJAQHHQVQA-ZDUSSCGKSA-N 1 1 330.454 0.262 20 30 ECEDMO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000514798304 438832206 /nfs/dbraw/zinc/83/22/06/438832206.db2.gz HZSYSJAQHHQVQA-ZDUSSCGKSA-N 1 1 330.454 0.262 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595606551 438832236 /nfs/dbraw/zinc/83/22/36/438832236.db2.gz HZQWTDRKCGLSMO-HNNXBMFYSA-N 1 1 345.428 0.946 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595606551 438832241 /nfs/dbraw/zinc/83/22/41/438832241.db2.gz HZQWTDRKCGLSMO-HNNXBMFYSA-N 1 1 345.428 0.946 20 30 ECEDMO N#CC[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000595620279 438835561 /nfs/dbraw/zinc/83/55/61/438835561.db2.gz LNAAFDWDDGOQSV-OAHLLOKOSA-N 1 1 344.415 0.793 20 30 ECEDMO N#CC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000595620279 438835566 /nfs/dbraw/zinc/83/55/66/438835566.db2.gz LNAAFDWDDGOQSV-OAHLLOKOSA-N 1 1 344.415 0.793 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000588897241 438848847 /nfs/dbraw/zinc/84/88/47/438848847.db2.gz JLPNDWZMJRYVKH-SJORKVTESA-N 1 1 349.456 0.919 20 30 ECEDMO COC(=O)[C@@](C)(O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000588964546 438851422 /nfs/dbraw/zinc/85/14/22/438851422.db2.gz YXZHHWNEKBSCIZ-WBVHZDCISA-N 1 1 335.379 0.932 20 30 ECEDMO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000578091068 438897334 /nfs/dbraw/zinc/89/73/34/438897334.db2.gz OPQVOTQXPKKZSD-UKRRQHHQSA-N 1 1 340.383 0.648 20 30 ECEDMO CNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000578091068 438897339 /nfs/dbraw/zinc/89/73/39/438897339.db2.gz OPQVOTQXPKKZSD-UKRRQHHQSA-N 1 1 340.383 0.648 20 30 ECEDMO C=CCOCCCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000595766322 438859108 /nfs/dbraw/zinc/85/91/08/438859108.db2.gz DZXKMHLAPYFBIJ-CQSZACIVSA-N 1 1 327.425 0.858 20 30 ECEDMO C=CCOCCCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000595766322 438859111 /nfs/dbraw/zinc/85/91/11/438859111.db2.gz DZXKMHLAPYFBIJ-CQSZACIVSA-N 1 1 327.425 0.858 20 30 ECEDMO C[C@@H](C#N)S(=O)(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000564306868 438872017 /nfs/dbraw/zinc/87/20/17/438872017.db2.gz WNLFWSMMOWMFRL-QWHCGFSZSA-N 1 1 342.490 0.868 20 30 ECEDMO C[NH+]1CCN(C(=O)c2ccc(CNc3cc(C#N)ncn3)cc2)CC1 ZINC000577810995 438872126 /nfs/dbraw/zinc/87/21/26/438872126.db2.gz YRYMVFKCVFIVMK-UHFFFAOYSA-N 1 1 336.399 1.348 20 30 ECEDMO C=CCC[C@@H](CO)NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000458434295 438883267 /nfs/dbraw/zinc/88/32/67/438883267.db2.gz JIWGJGBDLWPAEP-CVEARBPZSA-N 1 1 326.485 0.886 20 30 ECEDMO N#CC1(CC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCOCC1 ZINC000595930984 438887736 /nfs/dbraw/zinc/88/77/36/438887736.db2.gz AAPXXTIMWUUMGJ-AWEZNQCLSA-N 1 1 334.420 0.120 20 30 ECEDMO N#Cc1ccc([C@H]([NH2+]CCN2C[C@@H]3CCCCN3C2=O)C(N)=O)cc1 ZINC000596048342 438919237 /nfs/dbraw/zinc/91/92/37/438919237.db2.gz UTLZXOZRKWKZMU-HOTGVXAUSA-N 1 1 341.415 0.964 20 30 ECEDMO CCc1nc(C#N)cc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000596109172 438926972 /nfs/dbraw/zinc/92/69/72/438926972.db2.gz GMRKXDCWNGYKDN-AWEZNQCLSA-N 1 1 330.436 1.265 20 30 ECEDMO N#CCCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000601535525 438928659 /nfs/dbraw/zinc/92/86/59/438928659.db2.gz YXZXJOGWPLMCGI-MRXNPFEDSA-N 1 1 347.463 0.177 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3nc(N)n[nH]3)CC2)cc1 ZINC000590601428 438942086 /nfs/dbraw/zinc/94/20/86/438942086.db2.gz WKCPWVXCRKMYFC-UHFFFAOYSA-N 1 1 339.403 0.754 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@](O)(CO)C3)C2=O)cc1 ZINC000459627310 438982244 /nfs/dbraw/zinc/98/22/44/438982244.db2.gz DFIVDSXZXZMWQN-FUHWJXTLSA-N 1 1 329.400 0.873 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@](O)(CO)C3)C2=O)cc1 ZINC000459627310 438982246 /nfs/dbraw/zinc/98/22/46/438982246.db2.gz DFIVDSXZXZMWQN-FUHWJXTLSA-N 1 1 329.400 0.873 20 30 ECEDMO N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000602283125 439058143 /nfs/dbraw/zinc/05/81/43/439058143.db2.gz PATHAJHJLAIULL-JKSUJKDBSA-N 1 1 347.463 0.177 20 30 ECEDMO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000597224560 439059771 /nfs/dbraw/zinc/05/97/71/439059771.db2.gz KMIGWOBYQIXRFX-CQSZACIVSA-N 1 1 327.392 0.789 20 30 ECEDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000597224560 439059777 /nfs/dbraw/zinc/05/97/77/439059777.db2.gz KMIGWOBYQIXRFX-CQSZACIVSA-N 1 1 327.392 0.789 20 30 ECEDMO CN(CCO)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000459884238 439025134 /nfs/dbraw/zinc/02/51/34/439025134.db2.gz IXQCOSUMMUGTQW-UHFFFAOYSA-N 1 1 344.415 0.043 20 30 ECEDMO CN(CCO)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000459884238 439025140 /nfs/dbraw/zinc/02/51/40/439025140.db2.gz IXQCOSUMMUGTQW-UHFFFAOYSA-N 1 1 344.415 0.043 20 30 ECEDMO N#CCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000566494081 439063761 /nfs/dbraw/zinc/06/37/61/439063761.db2.gz HRVXWZUILOHGMY-JKSUJKDBSA-N 1 1 337.445 0.702 20 30 ECEDMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N)s1 ZINC000519540368 439037446 /nfs/dbraw/zinc/03/74/46/439037446.db2.gz PIYKZEGJLNICFD-WDEREUQCSA-N 1 1 326.422 0.787 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1c(F)cc(C#N)cc1F ZINC000602196067 439037777 /nfs/dbraw/zinc/03/77/77/439037777.db2.gz USAFLSKWBMHXMC-UHFFFAOYSA-N 1 1 336.342 0.682 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@](O)(CC#N)C2)C[C@H](C)O1 ZINC000591902369 439107730 /nfs/dbraw/zinc/10/77/30/439107730.db2.gz KPYHMPBEZDGHHL-JKIFEVAISA-N 1 1 338.452 0.934 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@](O)(CC#N)C2)C[C@H](C)O1 ZINC000591902369 439107735 /nfs/dbraw/zinc/10/77/35/439107735.db2.gz KPYHMPBEZDGHHL-JKIFEVAISA-N 1 1 338.452 0.934 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000597258235 439066180 /nfs/dbraw/zinc/06/61/80/439066180.db2.gz MALFSZPPCSVLDZ-AWEZNQCLSA-N 1 1 335.452 0.080 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC2(C#N)CCCCC2)n1C ZINC000597262151 439066737 /nfs/dbraw/zinc/06/67/37/439066737.db2.gz MZQUGWXKVDVSFT-UHFFFAOYSA-N 1 1 346.435 0.693 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2nnc3n2CCC3)cc1 ZINC000591723566 439075098 /nfs/dbraw/zinc/07/50/98/439075098.db2.gz OSAFYDCIXMEEPP-CQSZACIVSA-N 1 1 327.388 0.820 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000591726546 439077019 /nfs/dbraw/zinc/07/70/19/439077019.db2.gz KYOJRHLDNDDJEQ-GJZGRUSLSA-N 1 1 334.445 0.943 20 30 ECEDMO N#CC[C@]1(O)CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000591985910 439126711 /nfs/dbraw/zinc/12/67/11/439126711.db2.gz PURBOHJJDLTKTI-INMHGKMJSA-N 1 1 336.436 0.690 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2-n2ncc(C#N)c2N)C1 ZINC000597635963 439144871 /nfs/dbraw/zinc/14/48/71/439144871.db2.gz ALYOHBLFTGQAJD-OAHLLOKOSA-N 1 1 340.387 0.985 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2-n2ncc(C#N)c2N)C1 ZINC000597635963 439144878 /nfs/dbraw/zinc/14/48/78/439144878.db2.gz ALYOHBLFTGQAJD-OAHLLOKOSA-N 1 1 340.387 0.985 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CC[N@@H+]1CC(C)(C)O ZINC000567611761 439157144 /nfs/dbraw/zinc/15/71/44/439157144.db2.gz IQONRPMZUNYYDI-LBPRGKRZSA-N 1 1 345.403 0.195 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CC[N@H+]1CC(C)(C)O ZINC000567611761 439157147 /nfs/dbraw/zinc/15/71/47/439157147.db2.gz IQONRPMZUNYYDI-LBPRGKRZSA-N 1 1 345.403 0.195 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000592187026 439174650 /nfs/dbraw/zinc/17/46/50/439174650.db2.gz YECVKMMQFQVNSZ-QMTHXVAHSA-N 1 1 346.353 0.938 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000592187026 439174653 /nfs/dbraw/zinc/17/46/53/439174653.db2.gz YECVKMMQFQVNSZ-QMTHXVAHSA-N 1 1 346.353 0.938 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N)c(=O)n2C ZINC000602979226 439176029 /nfs/dbraw/zinc/17/60/29/439176029.db2.gz BFBRMPQXBVRGAY-OLZOCXBDSA-N 1 1 344.419 0.448 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CO)CC1 ZINC000602989893 439177875 /nfs/dbraw/zinc/17/78/75/439177875.db2.gz BDRBVXBJQHJWSE-BRWVUGGUSA-N 1 1 336.480 0.772 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)n(CCC#N)n1 ZINC000526111761 439237961 /nfs/dbraw/zinc/23/79/61/439237961.db2.gz POTBZFCSJJYRQY-CQSZACIVSA-N 1 1 346.435 0.844 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000581823073 439254440 /nfs/dbraw/zinc/25/44/40/439254440.db2.gz JGNPTWXKLBCGTQ-UHFFFAOYSA-N 1 1 346.435 0.234 20 30 ECEDMO CN(CCCN(C)C(=O)C(=O)Nc1cccc(C#N)n1)CC[NH+](C)C ZINC000581823073 439254444 /nfs/dbraw/zinc/25/44/44/439254444.db2.gz JGNPTWXKLBCGTQ-UHFFFAOYSA-N 1 1 346.435 0.234 20 30 ECEDMO N#Cc1cccc(CNC(=O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000604499505 439317519 /nfs/dbraw/zinc/31/75/19/439317519.db2.gz NBHTWZIEDNNMOK-SFHVURJKSA-N 1 1 342.443 0.971 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)C2CCC(NC(C)=O)CC2)CC1 ZINC000490949010 439318240 /nfs/dbraw/zinc/31/82/40/439318240.db2.gz HYFNOMFDHZHBPE-UHFFFAOYSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(c3cc(C)[nH]n3)CC2)CC1 ZINC000490951045 439318558 /nfs/dbraw/zinc/31/85/58/439318558.db2.gz VVNYUHNEPJMVFP-UHFFFAOYSA-N 1 1 329.448 0.675 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccccc2C#N)[C@H](C)C1 ZINC000528465826 439338794 /nfs/dbraw/zinc/33/87/94/439338794.db2.gz RWBKYRLFZJAFNM-VYDXJSESSA-N 1 1 333.432 0.685 20 30 ECEDMO C#CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC000491096434 439331014 /nfs/dbraw/zinc/33/10/14/439331014.db2.gz SIOQXAKHJJJZBG-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO C[C@@](C#N)(NC(=O)CN1CCC[N@@H+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000603847938 439285944 /nfs/dbraw/zinc/28/59/44/439285944.db2.gz FZZVPPAYSFMOPP-AEFFLSMTSA-N 1 1 334.464 0.982 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H](CO)C2)CC1 ZINC000598648479 439295504 /nfs/dbraw/zinc/29/55/04/439295504.db2.gz SAOFHDIYCWBFBW-IKGGRYGDSA-N 1 1 336.480 0.629 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1C[C@H](OC)C[C@H]1CC(=O)OCC ZINC000491295082 439363710 /nfs/dbraw/zinc/36/37/10/439363710.db2.gz FMUBXLONQBZQLI-LSDHHAIUSA-N 1 1 339.436 0.694 20 30 ECEDMO C[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@H]1CCN2CCO[C@H]1C2 ZINC000528514103 439344639 /nfs/dbraw/zinc/34/46/39/439344639.db2.gz DXUOPWMGJSPVKB-RYRKJORJSA-N 1 1 331.416 0.703 20 30 ECEDMO CC(=O)N[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528526872 439345610 /nfs/dbraw/zinc/34/56/10/439345610.db2.gz KTTACBOHRMMTCW-CQSZACIVSA-N 1 1 325.368 0.496 20 30 ECEDMO CC(=O)N[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528526872 439345616 /nfs/dbraw/zinc/34/56/16/439345616.db2.gz KTTACBOHRMMTCW-CQSZACIVSA-N 1 1 325.368 0.496 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C(=O)OC)cs1 ZINC000491210222 439349458 /nfs/dbraw/zinc/34/94/58/439349458.db2.gz RILJBTGTHSZINT-UHFFFAOYSA-N 1 1 337.401 0.545 20 30 ECEDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528560858 439350093 /nfs/dbraw/zinc/35/00/93/439350093.db2.gz MURGZECFZSIZMC-HZPDHXFCSA-N 1 1 346.431 0.986 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCC(=O)NCC#N)cc1 ZINC000599154913 439370211 /nfs/dbraw/zinc/37/02/11/439370211.db2.gz PRBWOMDMFHDJIE-AWEZNQCLSA-N 1 1 345.403 0.208 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCC(=O)NCC#N)cc1 ZINC000599154913 439370217 /nfs/dbraw/zinc/37/02/17/439370217.db2.gz PRBWOMDMFHDJIE-AWEZNQCLSA-N 1 1 345.403 0.208 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000491375445 439373003 /nfs/dbraw/zinc/37/30/03/439373003.db2.gz WFBPFPQYCZPFFD-UHFFFAOYSA-N 1 1 336.480 0.695 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000491375445 439373007 /nfs/dbraw/zinc/37/30/07/439373007.db2.gz WFBPFPQYCZPFFD-UHFFFAOYSA-N 1 1 336.480 0.695 20 30 ECEDMO N#Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000599199449 439379293 /nfs/dbraw/zinc/37/92/93/439379293.db2.gz LDCWEXBIORJHDZ-ZDUSSCGKSA-N 1 1 327.344 1.493 20 30 ECEDMO COCCOCC[NH+]1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000593516107 439391892 /nfs/dbraw/zinc/39/18/92/439391892.db2.gz ANAFRUZKAYOZIA-UHFFFAOYSA-N 1 1 346.431 0.811 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000491426464 439381535 /nfs/dbraw/zinc/38/15/35/439381535.db2.gz GEUQDAIHYGDWCG-MRXNPFEDSA-N 1 1 335.835 0.740 20 30 ECEDMO C#C[C@@H](CCC)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000491617618 439411387 /nfs/dbraw/zinc/41/13/87/439411387.db2.gz BHKGFLKJTKLXCG-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000593587077 439415726 /nfs/dbraw/zinc/41/57/26/439415726.db2.gz CTXGEGIHTSWSOU-BETUJISGSA-N 1 1 349.412 0.527 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000491633938 439416354 /nfs/dbraw/zinc/41/63/54/439416354.db2.gz QDKFLELYXATJEQ-UHFFFAOYSA-N 1 1 349.456 0.386 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000491655197 439419135 /nfs/dbraw/zinc/41/91/35/439419135.db2.gz GXWPIWPPMMRVIP-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO COC(=O)C[N@H+](C[C@@H](O)COc1ccccc1C#N)C1CCOCC1 ZINC000599302671 439422697 /nfs/dbraw/zinc/42/26/97/439422697.db2.gz IMHRTGSZWRXZOE-MRXNPFEDSA-N 1 1 348.399 0.952 20 30 ECEDMO COC(=O)C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C1CCOCC1 ZINC000599302671 439422705 /nfs/dbraw/zinc/42/27/05/439422705.db2.gz IMHRTGSZWRXZOE-MRXNPFEDSA-N 1 1 348.399 0.952 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)NOC)cc1 ZINC000491690687 439429064 /nfs/dbraw/zinc/42/90/64/439429064.db2.gz MXHACAPWOWNUEA-UHFFFAOYSA-N 1 1 339.417 0.211 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599329867 439434375 /nfs/dbraw/zinc/43/43/75/439434375.db2.gz FUOFYQOCOBEILE-KGLIPLIRSA-N 1 1 345.465 0.071 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000491732489 439437466 /nfs/dbraw/zinc/43/74/66/439437466.db2.gz BSYBPAQVTCNHDJ-INIZCTEOSA-N 1 1 347.463 0.127 20 30 ECEDMO C#C[C@@H]1COCCN1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000491742602 439439758 /nfs/dbraw/zinc/43/97/58/439439758.db2.gz QNXOAYNNIZQIBN-QGZVFWFLSA-N 1 1 342.443 0.852 20 30 ECEDMO COC(=O)c1cnc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cn1 ZINC000599344357 439442303 /nfs/dbraw/zinc/44/23/03/439442303.db2.gz ZDWJMZCCZDIHTF-UHFFFAOYSA-N 1 1 329.364 0.505 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000491772994 439445504 /nfs/dbraw/zinc/44/55/04/439445504.db2.gz AUFMBBOJUOXFQK-UHFFFAOYSA-N 1 1 335.429 0.206 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)CC1 ZINC000491777332 439448113 /nfs/dbraw/zinc/44/81/13/439448113.db2.gz WVYZCXMZZZJLRG-KRWDZBQOSA-N 1 1 334.464 0.002 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000599558315 439503785 /nfs/dbraw/zinc/50/37/85/439503785.db2.gz HWJPRWAWEMJMSJ-YJBOKZPZSA-N 1 1 348.399 0.756 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)n(CCC#N)n1 ZINC000532566949 439518473 /nfs/dbraw/zinc/51/84/73/439518473.db2.gz XTHUSNQLPUZYJW-RISCZKNCSA-N 1 1 344.419 0.643 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533356228 439524763 /nfs/dbraw/zinc/52/47/63/439524763.db2.gz FQHRKRCOORCNSW-CPUCHLNUSA-N 1 1 335.452 0.919 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533356228 439524766 /nfs/dbraw/zinc/52/47/66/439524766.db2.gz FQHRKRCOORCNSW-CPUCHLNUSA-N 1 1 335.452 0.919 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000599693958 439538593 /nfs/dbraw/zinc/53/85/93/439538593.db2.gz QEIVZSSNJFBVKR-WFASDCNBSA-N 1 1 342.465 0.056 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000599693958 439538597 /nfs/dbraw/zinc/53/85/97/439538597.db2.gz QEIVZSSNJFBVKR-WFASDCNBSA-N 1 1 342.465 0.056 20 30 ECEDMO CN1CCN(c2cc(CNC(=O)[C@H]([NH3+])CCCCC#N)ccn2)CC1 ZINC000594440036 439559234 /nfs/dbraw/zinc/55/92/34/439559234.db2.gz YFDZPOJXGIDRPP-MRXNPFEDSA-N 1 1 344.463 0.861 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000543751405 439561876 /nfs/dbraw/zinc/56/18/76/439561876.db2.gz KZPNJCXNFFUTDK-HNNXBMFYSA-N 1 1 349.479 0.266 20 30 ECEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000599940188 439580885 /nfs/dbraw/zinc/58/08/85/439580885.db2.gz MJCQXFPLWOWZLN-FGTMMUONSA-N 1 1 338.411 0.908 20 30 ECEDMO N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000594620019 439581103 /nfs/dbraw/zinc/58/11/03/439581103.db2.gz CUQYDKFIZOBDAD-CVEARBPZSA-N 1 1 347.463 0.224 20 30 ECEDMO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000610000655 439596277 /nfs/dbraw/zinc/59/62/77/439596277.db2.gz NZYBUWNYIHNIPN-SJORKVTESA-N 1 1 328.416 0.881 20 30 ECEDMO N#Cc1ccncc1N1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000584875635 439624466 /nfs/dbraw/zinc/62/44/66/439624466.db2.gz JLRWINDSWAPPGE-MRXNPFEDSA-N 1 1 346.431 0.632 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000612414612 439702151 /nfs/dbraw/zinc/70/21/51/439702151.db2.gz NKBMCRLFUAPUNJ-CABCVRRESA-N 1 1 325.453 0.932 20 30 ECEDMO N#CCC1(CS(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000595385297 439717709 /nfs/dbraw/zinc/71/77/09/439717709.db2.gz YXHJWHWVPICJIW-CQSZACIVSA-N 1 1 327.450 0.541 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@@H+](C[C@@H]2CNc3c(C#N)cnn3C2)C1 ZINC000574205741 439690197 /nfs/dbraw/zinc/69/01/97/439690197.db2.gz KDBAGMMLWFJNNS-BLLLJJGKSA-N 1 1 333.392 0.308 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000611349070 439693672 /nfs/dbraw/zinc/69/36/72/439693672.db2.gz VFKVQLWLMMKIIH-MSOLQXFVSA-N 1 1 345.443 0.899 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000611349070 439693675 /nfs/dbraw/zinc/69/36/75/439693675.db2.gz VFKVQLWLMMKIIH-MSOLQXFVSA-N 1 1 345.443 0.899 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000613585833 439759451 /nfs/dbraw/zinc/75/94/51/439759451.db2.gz JLJUBTRYGUSWJO-SJLPKXTDSA-N 1 1 332.400 0.984 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000613585833 439759452 /nfs/dbraw/zinc/75/94/52/439759452.db2.gz JLJUBTRYGUSWJO-SJLPKXTDSA-N 1 1 332.400 0.984 20 30 ECEDMO Cc1nn(C)c(N2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)c1C#N ZINC000595458001 439729587 /nfs/dbraw/zinc/72/95/87/439729587.db2.gz OOGYMDFUMWVTKM-OAHLLOKOSA-N 1 1 334.468 0.423 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)nn1 ZINC001041733257 782079834 /nfs/dbraw/zinc/07/98/34/782079834.db2.gz ROIAEDIGPASZRD-DYVFJYSZSA-N 1 1 346.435 0.266 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[C@](F)(C#N)C2)CC1 ZINC000615542906 439802012 /nfs/dbraw/zinc/80/20/12/439802012.db2.gz IVHFZPIWUUDFHM-HOCLYGCPSA-N 1 1 325.432 0.907 20 30 ECEDMO C=CC[C@]1(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCC[NH2+]1 ZINC000662732609 439863777 /nfs/dbraw/zinc/86/37/77/439863777.db2.gz FOHYFIOLDXHIMD-SJLPKXTDSA-N 1 1 336.480 0.207 20 30 ECEDMO C=CCn1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nn1 ZINC000617696357 439931446 /nfs/dbraw/zinc/93/14/46/439931446.db2.gz HMRVCQGQTOTXKA-MRXNPFEDSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C[C@H](CO)NC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000663449108 440075405 /nfs/dbraw/zinc/07/54/05/440075405.db2.gz AVMDBOIBQTYOGX-ZIAGYGMSSA-N 1 1 338.477 0.883 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000659535305 440356978 /nfs/dbraw/zinc/35/69/78/440356978.db2.gz ZRLRQDNZJMPGIY-MRXNPFEDSA-N 1 1 336.480 0.649 20 30 ECEDMO C=C(CNC(=O)Cn1cncc1C)CNC(=O)Cn1c[nH+]cc1C ZINC000628153646 440426405 /nfs/dbraw/zinc/42/64/05/440426405.db2.gz YVUFONGTPFGBFA-UHFFFAOYSA-N 1 1 330.392 0.185 20 30 ECEDMO C=C(C)[C@@H](CO)[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000649822169 440550492 /nfs/dbraw/zinc/55/04/92/440550492.db2.gz AWQFQGZKRIQGCS-OAHLLOKOSA-N 1 1 327.450 0.639 20 30 ECEDMO C=CC[C@@H]1N(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCC1(C)C ZINC000656082990 440715834 /nfs/dbraw/zinc/71/58/34/440715834.db2.gz BIVAOYCCEBUZBI-XHSDSOJGSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000635157170 440771761 /nfs/dbraw/zinc/77/17/61/440771761.db2.gz QVYGPJRWHVCFOC-UHFFFAOYSA-N 1 1 333.436 0.453 20 30 ECEDMO CO[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@](C)(CO)C1 ZINC000640006983 440851570 /nfs/dbraw/zinc/85/15/70/440851570.db2.gz WZNVQWBUBOFEPB-AUUYWEPGSA-N 1 1 342.395 0.758 20 30 ECEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000662078854 440963783 /nfs/dbraw/zinc/96/37/83/440963783.db2.gz DADQVHUAVKWTAY-IYBDPMFKSA-N 1 1 334.464 0.402 20 30 ECEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000662085591 440964722 /nfs/dbraw/zinc/96/47/22/440964722.db2.gz HSCUGBNJSDBYDZ-BETUJISGSA-N 1 1 329.404 0.617 20 30 ECEDMO C=CC[C@@]1(C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)CCC[NH2+]1 ZINC000662401740 441029218 /nfs/dbraw/zinc/02/92/18/441029218.db2.gz QYLNIWYAVGZWES-YJBOKZPZSA-N 1 1 334.464 0.355 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CCC[N@H+](CCO)CC1 ZINC000641345838 441099739 /nfs/dbraw/zinc/09/97/39/441099739.db2.gz GYSUSWOWFSZJEC-UHFFFAOYSA-N 1 1 339.461 0.655 20 30 ECEDMO COC(=O)c1ccc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C#N)n1 ZINC000563418205 322317092 /nfs/dbraw/zinc/31/70/92/322317092.db2.gz RMDHBLXOILIMDX-LBPRGKRZSA-N 1 1 345.403 0.739 20 30 ECEDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000564796459 322394196 /nfs/dbraw/zinc/39/41/96/322394196.db2.gz XUVNSZIKXVYUTM-CQSZACIVSA-N 1 1 341.408 0.837 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000564796459 322394198 /nfs/dbraw/zinc/39/41/98/322394198.db2.gz XUVNSZIKXVYUTM-CQSZACIVSA-N 1 1 341.408 0.837 20 30 ECEDMO Cn1cncc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078008491 782125675 /nfs/dbraw/zinc/12/56/75/782125675.db2.gz HTQVWLJWNNKXDS-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1cncc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078008491 782125678 /nfs/dbraw/zinc/12/56/78/782125678.db2.gz HTQVWLJWNNKXDS-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000187624849 527443917 /nfs/dbraw/zinc/44/39/17/527443917.db2.gz YDTYUVJMFZOHKF-CQSZACIVSA-N 1 1 343.427 0.910 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000187624849 527443920 /nfs/dbraw/zinc/44/39/20/527443920.db2.gz YDTYUVJMFZOHKF-CQSZACIVSA-N 1 1 343.427 0.910 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000265102574 536402798 /nfs/dbraw/zinc/40/27/98/536402798.db2.gz HXKWOUPDHPNXNG-VOTSOKGWSA-N 1 1 326.400 0.852 20 30 ECEDMO C=CCC[C@H](O)C[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000190315716 545907645 /nfs/dbraw/zinc/90/76/45/545907645.db2.gz TXDZXXKZUMLDHF-AWEZNQCLSA-N 1 1 339.461 0.783 20 30 ECEDMO C[C@@H](C(=O)NC[C@H]1CCCN1S(C)(=O)=O)[NH+]1CCSCC1 ZINC000328756901 546005791 /nfs/dbraw/zinc/00/57/91/546005791.db2.gz UNEJUUXNDOSYPE-NWDGAFQWSA-N 1 1 335.495 0.804 20 30 ECEDMO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000329132316 546015092 /nfs/dbraw/zinc/01/50/92/546015092.db2.gz YIJQVODTWOSQOC-KBPBESRZSA-N 1 1 344.481 0.495 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC1CCOCC1 ZINC000329245100 546018135 /nfs/dbraw/zinc/01/81/35/546018135.db2.gz VBNYUVCZIIYMMR-HNNXBMFYSA-N 1 1 339.436 0.835 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C[C@H](CC)OC)C[C@H]1O ZINC001078027817 782169437 /nfs/dbraw/zinc/16/94/37/782169437.db2.gz JNFYNHLCUFTONA-NUEKZKHPSA-N 1 1 347.415 0.294 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000668651766 547712796 /nfs/dbraw/zinc/71/27/96/547712796.db2.gz MIIZLGSCDOFPGF-CABCVRRESA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCn1c(-c2cn(C)nn2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000669036977 547817276 /nfs/dbraw/zinc/81/72/76/547817276.db2.gz WDBIMOGQAAUTCD-CYBMUJFWSA-N 1 1 328.424 0.933 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)CC1 ZINC000748814225 579329108 /nfs/dbraw/zinc/32/91/08/579329108.db2.gz WTEKKYDXVUAHDF-QGZVFWFLSA-N 1 1 341.459 0.742 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)CC1 ZINC000748814225 579329109 /nfs/dbraw/zinc/32/91/09/579329109.db2.gz WTEKKYDXVUAHDF-QGZVFWFLSA-N 1 1 341.459 0.742 20 30 ECEDMO N#Cc1cccnc1N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000751304158 579365530 /nfs/dbraw/zinc/36/55/30/579365530.db2.gz KPGYHZZCISHSJH-UHFFFAOYSA-N 1 1 329.404 0.324 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)NCCNc2ncccc2C#N)n1C ZINC000751785057 579375386 /nfs/dbraw/zinc/37/53/86/579375386.db2.gz AHSRTXWTDDTEPC-UHFFFAOYSA-N 1 1 342.407 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000730104699 578303395 /nfs/dbraw/zinc/30/33/95/578303395.db2.gz UCZZAYOYRLRUQX-CVEARBPZSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000730104699 578303396 /nfs/dbraw/zinc/30/33/96/578303396.db2.gz UCZZAYOYRLRUQX-CVEARBPZSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000730275397 578304365 /nfs/dbraw/zinc/30/43/65/578304365.db2.gz DFRAHYRSKLDKKE-HNNXBMFYSA-N 1 1 335.429 0.179 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000730275397 578304366 /nfs/dbraw/zinc/30/43/66/578304366.db2.gz DFRAHYRSKLDKKE-HNNXBMFYSA-N 1 1 335.429 0.179 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000798398548 578645042 /nfs/dbraw/zinc/64/50/42/578645042.db2.gz XCQAINGZJJGLTR-HUUCEWRRSA-N 1 1 338.452 0.003 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000780983022 578704078 /nfs/dbraw/zinc/70/40/78/578704078.db2.gz CWYXJMLEYGMZLM-SJORKVTESA-N 1 1 331.416 0.945 20 30 ECEDMO N#Cc1ccc([C@@H](O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000780982975 578704107 /nfs/dbraw/zinc/70/41/07/578704107.db2.gz CWYXJMLEYGMZLM-DLBZAZTESA-N 1 1 331.416 0.945 20 30 ECEDMO C[C@H]1CN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O ZINC000781859687 578716033 /nfs/dbraw/zinc/71/60/33/578716033.db2.gz JCBHGNQSPOMEIA-BBRMVZONSA-N 1 1 331.416 0.895 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000782945337 578736150 /nfs/dbraw/zinc/73/61/50/578736150.db2.gz QBDFHBXVOWOVRN-UHFFFAOYSA-N 1 1 332.408 0.387 20 30 ECEDMO C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000784847803 578758343 /nfs/dbraw/zinc/75/83/43/578758343.db2.gz AGLRNISYTMZRLN-CYBMUJFWSA-N 1 1 342.399 0.151 20 30 ECEDMO C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000785638555 578771652 /nfs/dbraw/zinc/77/16/52/578771652.db2.gz AWQMHLRJFAYCRJ-SOUVJXGZSA-N 1 1 349.431 0.000 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](CCCN3CCOC3=O)CC2)c1C#N ZINC000788274570 578831969 /nfs/dbraw/zinc/83/19/69/578831969.db2.gz IZAIUVWYGKQHMM-UHFFFAOYSA-N 1 1 332.408 0.565 20 30 ECEDMO N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000788801763 578843926 /nfs/dbraw/zinc/84/39/26/578843926.db2.gz BYIGWRPVYBFTTL-ZDUSSCGKSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000765419216 579065398 /nfs/dbraw/zinc/06/53/98/579065398.db2.gz BZVSXFJZSCENHB-DOMZBBRYSA-N 1 1 335.429 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000765419216 579065399 /nfs/dbraw/zinc/06/53/99/579065399.db2.gz BZVSXFJZSCENHB-DOMZBBRYSA-N 1 1 335.429 0.609 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000766338217 579085688 /nfs/dbraw/zinc/08/56/88/579085688.db2.gz GQDYWHMZSVYOIX-INIZCTEOSA-N 1 1 326.400 0.442 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@@H]1CCCO1 ZINC000775800036 579271536 /nfs/dbraw/zinc/27/15/36/579271536.db2.gz QFGXXGCLIGUBEX-HIFRSBDPSA-N 1 1 344.350 0.510 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000761031950 579519962 /nfs/dbraw/zinc/51/99/62/579519962.db2.gz FMAHJBDYTYNQMP-UHFFFAOYSA-N 1 1 349.456 0.249 20 30 ECEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000761216871 579524515 /nfs/dbraw/zinc/52/45/15/579524515.db2.gz RBCPLVLZEPALRJ-OAHLLOKOSA-N 1 1 327.388 0.772 20 30 ECEDMO CN(CCC#N)c1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000761216871 579524516 /nfs/dbraw/zinc/52/45/16/579524516.db2.gz RBCPLVLZEPALRJ-OAHLLOKOSA-N 1 1 327.388 0.772 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000762310596 579540162 /nfs/dbraw/zinc/54/01/62/579540162.db2.gz RKORQFMAVQDIRC-QGZVFWFLSA-N 1 1 328.416 0.706 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000762726691 579547289 /nfs/dbraw/zinc/54/72/89/579547289.db2.gz DYZRPYSWOPOXII-HIFRSBDPSA-N 1 1 345.403 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000762726691 579547291 /nfs/dbraw/zinc/54/72/91/579547291.db2.gz DYZRPYSWOPOXII-HIFRSBDPSA-N 1 1 345.403 0.326 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000763702541 579564102 /nfs/dbraw/zinc/56/41/02/579564102.db2.gz YQAKFUQLFJPQMD-CHWSQXEVSA-N 1 1 327.388 0.954 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000763702541 579564104 /nfs/dbraw/zinc/56/41/04/579564104.db2.gz YQAKFUQLFJPQMD-CHWSQXEVSA-N 1 1 327.388 0.954 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000764805936 579580304 /nfs/dbraw/zinc/58/03/04/579580304.db2.gz LQGJNLPDMFVXFM-AWEZNQCLSA-N 1 1 329.466 0.903 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000764805936 579580305 /nfs/dbraw/zinc/58/03/05/579580305.db2.gz LQGJNLPDMFVXFM-AWEZNQCLSA-N 1 1 329.466 0.903 20 30 ECEDMO C=CCn1nnn(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1=S ZINC000738213737 579612115 /nfs/dbraw/zinc/61/21/15/579612115.db2.gz LXPMQEKMQFWBRO-CQSZACIVSA-N 1 1 337.497 0.664 20 30 ECEDMO C#CCN(CC#CC)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000745828330 579828131 /nfs/dbraw/zinc/82/81/31/579828131.db2.gz RZCIAQRQDFWQOY-QGZVFWFLSA-N 1 1 332.448 0.061 20 30 ECEDMO COc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1C#N ZINC000746725978 579843796 /nfs/dbraw/zinc/84/37/96/579843796.db2.gz RPRQAHHDARWNGE-OAHLLOKOSA-N 1 1 331.420 0.612 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000837212772 588945719 /nfs/dbraw/zinc/94/57/19/588945719.db2.gz HJLGNMFSWKMYTF-HNNXBMFYSA-N 1 1 343.387 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000837212772 588945721 /nfs/dbraw/zinc/94/57/21/588945721.db2.gz HJLGNMFSWKMYTF-HNNXBMFYSA-N 1 1 343.387 0.736 20 30 ECEDMO C#CCCOc1ccc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000837286604 588947451 /nfs/dbraw/zinc/94/74/51/588947451.db2.gz YWJNWKDGXKDVNQ-UHFFFAOYSA-N 1 1 343.427 0.935 20 30 ECEDMO C[C@@H]1CN(C(=O)NCCNc2ncccc2C#N)[C@@H](C)C[N@H+]1CCO ZINC000842174169 589016803 /nfs/dbraw/zinc/01/68/03/589016803.db2.gz ADTLKTRXKIWXGU-KGLIPLIRSA-N 1 1 346.435 0.462 20 30 ECEDMO C#CC1(O)CN(C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000890521923 586051951 /nfs/dbraw/zinc/05/19/51/586051951.db2.gz ACGBCYCTDLIQBE-UHFFFAOYSA-N 1 1 337.420 0.182 20 30 ECEDMO C#C[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000890649282 586056782 /nfs/dbraw/zinc/05/67/82/586056782.db2.gz BUJJFLSRBLRGES-IRXDYDNUSA-N 1 1 347.459 0.714 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC#C[C@@H]2CCCCO2)C1 ZINC000891107517 586082832 /nfs/dbraw/zinc/08/28/32/586082832.db2.gz RKDUZPCSJCTPRV-HOTGVXAUSA-N 1 1 336.432 0.950 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC#C[C@@H]2CCCCO2)C1 ZINC000891107517 586082834 /nfs/dbraw/zinc/08/28/34/586082834.db2.gz RKDUZPCSJCTPRV-HOTGVXAUSA-N 1 1 336.432 0.950 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NCc2nc(C#N)cs2)CC[N@@H+](C)C1 ZINC000897272646 586291702 /nfs/dbraw/zinc/29/17/02/586291702.db2.gz BFXCVVYPZQZSGQ-JTQLQIEISA-N 1 1 337.405 0.261 20 30 ECEDMO CN(C(=O)NCCNC(=O)C1N=CC=CC1=O)[C@H]1CCC[N@@H+](C)C1 ZINC000892943774 586302461 /nfs/dbraw/zinc/30/24/61/586302461.db2.gz ZZIYIQSMPUSNBH-TZFAWSOVSA-N 1 1 335.408 0.248 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)C[C@H]1CS(N)(=O)=O ZINC000897607578 586350307 /nfs/dbraw/zinc/35/03/07/586350307.db2.gz MCXBABMYWZKXIN-DOMZBBRYSA-N 1 1 336.461 0.981 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)cc1 ZINC000840504154 586380383 /nfs/dbraw/zinc/38/03/83/586380383.db2.gz ONADWTWPYZZOGY-OAHLLOKOSA-N 1 1 330.384 0.875 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1C#N ZINC000898020214 586392858 /nfs/dbraw/zinc/39/28/58/586392858.db2.gz RWDGTLBRTDZPIZ-UHFFFAOYSA-N 1 1 344.415 0.736 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1C#N ZINC000898020214 586392860 /nfs/dbraw/zinc/39/28/60/586392860.db2.gz RWDGTLBRTDZPIZ-UHFFFAOYSA-N 1 1 344.415 0.736 20 30 ECEDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000900080138 586521934 /nfs/dbraw/zinc/52/19/34/586521934.db2.gz DCMOEZIKBPURKR-GOSISDBHSA-N 1 1 343.431 0.449 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000843251192 589056446 /nfs/dbraw/zinc/05/64/46/589056446.db2.gz UKALNJAHLUDBLE-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO CC(C)N1CC[NH+](CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000900670318 586654493 /nfs/dbraw/zinc/65/44/93/586654493.db2.gz ACUXWKXUVXAZOW-QGZVFWFLSA-N 1 1 333.480 0.601 20 30 ECEDMO COC[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1c(C)cc(C#N)cc1C ZINC000903598021 586797069 /nfs/dbraw/zinc/79/70/69/586797069.db2.gz HCNMQNIPRHSVAP-OAHLLOKOSA-N 1 1 337.445 0.925 20 30 ECEDMO C=CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C(C)C ZINC000839247891 586843470 /nfs/dbraw/zinc/84/34/70/586843470.db2.gz LRVMQAMNOHPLGY-UHFFFAOYSA-N 1 1 338.496 0.894 20 30 ECEDMO C=CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C(C)C ZINC000839247891 586843472 /nfs/dbraw/zinc/84/34/72/586843472.db2.gz LRVMQAMNOHPLGY-UHFFFAOYSA-N 1 1 338.496 0.894 20 30 ECEDMO C=CCC1(O)CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000905584353 586904112 /nfs/dbraw/zinc/90/41/12/586904112.db2.gz BJTDRUYWUSKZGQ-UHFFFAOYSA-N 1 1 327.494 0.986 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccncc1 ZINC000805815655 586940524 /nfs/dbraw/zinc/94/05/24/586940524.db2.gz SCRWLLFVILDWLQ-KBMXLJTQSA-N 1 1 346.431 0.650 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccncc1 ZINC000805815655 586940526 /nfs/dbraw/zinc/94/05/26/586940526.db2.gz SCRWLLFVILDWLQ-KBMXLJTQSA-N 1 1 346.431 0.650 20 30 ECEDMO C[C@H](C#N)OCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000801939518 587006508 /nfs/dbraw/zinc/00/65/08/587006508.db2.gz PVJQONJGYZHKKM-KGLIPLIRSA-N 1 1 331.438 0.041 20 30 ECEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000801939518 587006511 /nfs/dbraw/zinc/00/65/11/587006511.db2.gz PVJQONJGYZHKKM-KGLIPLIRSA-N 1 1 331.438 0.041 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(OC)c1OC ZINC000907208526 587022749 /nfs/dbraw/zinc/02/27/49/587022749.db2.gz VYPRPUXWUMEXDE-UHFFFAOYSA-N 1 1 326.418 0.937 20 30 ECEDMO C=CCN1CCN(C[N@H+]2C[C@@H](OC)C[C@@H]2CC(=O)OCC)C1=O ZINC000840047766 587085384 /nfs/dbraw/zinc/08/53/84/587085384.db2.gz MRXCKCVALWKYKH-KGLIPLIRSA-N 1 1 325.409 0.910 20 30 ECEDMO C=CCN1CCN(C[N@@H+]2C[C@@H](OC)C[C@@H]2CC(=O)OCC)C1=O ZINC000840047766 587085386 /nfs/dbraw/zinc/08/53/86/587085386.db2.gz MRXCKCVALWKYKH-KGLIPLIRSA-N 1 1 325.409 0.910 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1)[C@H]1CCCO1 ZINC000809309586 587174396 /nfs/dbraw/zinc/17/43/96/587174396.db2.gz NRWZESHPCBXRCQ-OWCLPIDISA-N 1 1 335.448 0.474 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@H]1CCCO1 ZINC000809314138 587175436 /nfs/dbraw/zinc/17/54/36/587175436.db2.gz YNTKEKQHXSUHHN-QKPAOTATSA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@@H](O)C[N@@H+](CCO)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000810040360 587188175 /nfs/dbraw/zinc/18/81/75/587188175.db2.gz QJZDVMLQWRBWAY-TZMCWYRMSA-N 1 1 340.383 0.899 20 30 ECEDMO C#CCONC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000812784792 587242955 /nfs/dbraw/zinc/24/29/55/587242955.db2.gz IIVVXKJYEMFNAZ-UHFFFAOYSA-N 1 1 325.372 0.858 20 30 ECEDMO C#CCSCCNC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000840305178 587264719 /nfs/dbraw/zinc/26/47/19/587264719.db2.gz RFWJHDPPLPEXQL-UHFFFAOYSA-N 1 1 329.466 0.341 20 30 ECEDMO C=C[C@H](O)C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000814542833 587276497 /nfs/dbraw/zinc/27/64/97/587276497.db2.gz BAJXXBLTAQDQOV-INIZCTEOSA-N 1 1 332.400 0.729 20 30 ECEDMO C[C@H]1C(=NNC(=S)NCC(N)=O)CCC[N@H+]1Cc1ccccc1 ZINC000814844825 587279598 /nfs/dbraw/zinc/27/95/98/587279598.db2.gz QKVBRCBBVJPJTB-LBPRGKRZSA-N 1 1 333.461 0.976 20 30 ECEDMO C[C@H]1C(=NNC(=S)NCC(N)=O)CCC[N@@H+]1Cc1ccccc1 ZINC000814844825 587279599 /nfs/dbraw/zinc/27/95/99/587279599.db2.gz QKVBRCBBVJPJTB-LBPRGKRZSA-N 1 1 333.461 0.976 20 30 ECEDMO C#CCNC(=O)CC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000815096437 587282484 /nfs/dbraw/zinc/28/24/84/587282484.db2.gz PUDVJGWHGXNVLP-IBGZPJMESA-N 1 1 329.444 0.695 20 30 ECEDMO C#CCNC(=O)CCN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815096437 587282495 /nfs/dbraw/zinc/28/24/95/587282495.db2.gz PUDVJGWHGXNVLP-IBGZPJMESA-N 1 1 329.444 0.695 20 30 ECEDMO C#CCNC(=O)CCN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000815096437 587282497 /nfs/dbraw/zinc/28/24/97/587282497.db2.gz PUDVJGWHGXNVLP-IBGZPJMESA-N 1 1 329.444 0.695 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCCOCCC#N)CC1=O ZINC000815239872 587284444 /nfs/dbraw/zinc/28/44/44/587284444.db2.gz UNEKVNWWNZGJOB-GJZGRUSLSA-N 1 1 337.420 0.793 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000815704853 587296637 /nfs/dbraw/zinc/29/66/37/587296637.db2.gz RUNWYBXZEAKHAX-XJKSGUPXSA-N 1 1 327.384 0.800 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)nc1 ZINC000816836867 587325969 /nfs/dbraw/zinc/32/59/69/587325969.db2.gz CQPSTWGVFADKNP-OAHLLOKOSA-N 1 1 330.388 0.655 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000818599124 587440070 /nfs/dbraw/zinc/44/00/70/587440070.db2.gz BVDXVYPQPCTUGW-UHFFFAOYSA-N 1 1 339.417 0.449 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC000820688407 587550305 /nfs/dbraw/zinc/55/03/05/587550305.db2.gz QSFGWQOGMKYCJB-AWEZNQCLSA-N 1 1 331.420 0.234 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cnc(OC)c(Cl)c1 ZINC000827645535 588133724 /nfs/dbraw/zinc/13/37/24/588133724.db2.gz WWQSDMPYGLQXJY-UHFFFAOYSA-N 1 1 331.825 0.977 20 30 ECEDMO N#Cc1ccc(F)c(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000827955424 588148721 /nfs/dbraw/zinc/14/87/21/588148721.db2.gz HPWLAPZWXGRXPY-HNNXBMFYSA-N 1 1 346.406 0.834 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)C1 ZINC000829582457 588330891 /nfs/dbraw/zinc/33/08/91/588330891.db2.gz MSOCTDMOPFWAPB-KGLIPLIRSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)C1 ZINC000829582457 588330893 /nfs/dbraw/zinc/33/08/93/588330893.db2.gz MSOCTDMOPFWAPB-KGLIPLIRSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000829785855 588341815 /nfs/dbraw/zinc/34/18/15/588341815.db2.gz ZWMHIIZCYRBBRJ-CQSZACIVSA-N 1 1 329.466 0.119 20 30 ECEDMO N#CC[C@]1(O)CC[N@@H+](CCCON2C(=O)c3ccccc3C2=O)C1 ZINC000829998056 588353023 /nfs/dbraw/zinc/35/30/23/588353023.db2.gz HBUHJHICKIYXLP-KRWDZBQOSA-N 1 1 329.356 0.955 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 ZINC000846123269 589185766 /nfs/dbraw/zinc/18/57/66/589185766.db2.gz FOGQXEGYFSOOKO-PBHICJAKSA-N 1 1 330.432 0.255 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 ZINC000846123269 589185768 /nfs/dbraw/zinc/18/57/68/589185768.db2.gz FOGQXEGYFSOOKO-PBHICJAKSA-N 1 1 330.432 0.255 20 30 ECEDMO CC(=O)C1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000846947833 589230468 /nfs/dbraw/zinc/23/04/68/589230468.db2.gz ZGXIITYSRUPCTH-KRWDZBQOSA-N 1 1 334.464 0.980 20 30 ECEDMO C#CCN1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849540102 589340106 /nfs/dbraw/zinc/34/01/06/589340106.db2.gz BKEVFFLXJIFZPL-DLBZAZTESA-N 1 1 329.448 0.233 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000851793663 589423818 /nfs/dbraw/zinc/42/38/18/589423818.db2.gz ZUIJSFKGCFPHPK-HNNXBMFYSA-N 1 1 332.466 0.445 20 30 ECEDMO C#CCNS(=O)(=O)N1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000851872886 589430023 /nfs/dbraw/zinc/43/00/23/589430023.db2.gz MHKDLHSCHLPVFY-IYBDPMFKSA-N 1 1 342.509 0.050 20 30 ECEDMO C[N@@H+]1CCN(c2cc(C#N)cnn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000853447014 589542516 /nfs/dbraw/zinc/54/25/16/589542516.db2.gz BGTIGWGVXUUIBL-ZDUSSCGKSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2cc(C#N)cnn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000853447014 589542518 /nfs/dbraw/zinc/54/25/18/589542518.db2.gz BGTIGWGVXUUIBL-ZDUSSCGKSA-N 1 1 332.408 0.993 20 30 ECEDMO CS(=O)(=O)N1CC[C@H](CO[NH+]=C(N)c2ccc3c(c2)CCO3)C1 ZINC000853680033 589554684 /nfs/dbraw/zinc/55/46/84/589554684.db2.gz UMHHXNCYTKHVIX-NSHDSACASA-N 1 1 339.417 0.540 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 ZINC000854411292 589584884 /nfs/dbraw/zinc/58/48/84/589584884.db2.gz OLAGARKEKMOUEW-CABCVRRESA-N 1 1 331.420 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 ZINC000854411292 589584886 /nfs/dbraw/zinc/58/48/86/589584886.db2.gz OLAGARKEKMOUEW-CABCVRRESA-N 1 1 331.420 0.495 20 30 ECEDMO C#C[C@@H](CO)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000854773161 589605110 /nfs/dbraw/zinc/60/51/10/589605110.db2.gz FSKCRKHZLPIQID-LBPRGKRZSA-N 1 1 325.409 0.086 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)c(OC)c2)CC[N@H+](C)C1 ZINC000854932318 589613171 /nfs/dbraw/zinc/61/31/71/589613171.db2.gz DZMCGDDPPPKMPC-CQSZACIVSA-N 1 1 331.372 0.744 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)c(OC)c2)CC[N@@H+](C)C1 ZINC000854932318 589613173 /nfs/dbraw/zinc/61/31/73/589613173.db2.gz DZMCGDDPPPKMPC-CQSZACIVSA-N 1 1 331.372 0.744 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000856800435 589676219 /nfs/dbraw/zinc/67/62/19/589676219.db2.gz DJZWJZTXPFDDMI-SWLSCSKDSA-N 1 1 349.435 0.566 20 30 ECEDMO Cn1c(NC[C@@H]2c3ccccc3C[N@H+]2C)c(C#N)c(=O)n(C)c1=O ZINC000866193085 589728566 /nfs/dbraw/zinc/72/85/66/589728566.db2.gz AFHIHRLNYBQBGN-CQSZACIVSA-N 1 1 325.372 0.554 20 30 ECEDMO Cn1c(NC[C@@H]2c3ccccc3C[N@@H+]2C)c(C#N)c(=O)n(C)c1=O ZINC000866193085 589728569 /nfs/dbraw/zinc/72/85/69/589728569.db2.gz AFHIHRLNYBQBGN-CQSZACIVSA-N 1 1 325.372 0.554 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cccc(C#CCO)c2)CC1 ZINC000860079569 589742241 /nfs/dbraw/zinc/74/22/41/589742241.db2.gz OJQNDMXXGIGMTQ-OAHLLOKOSA-N 1 1 344.411 0.740 20 30 ECEDMO N#C[C@]1(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCCOC1 ZINC000866633301 589754708 /nfs/dbraw/zinc/75/47/08/589754708.db2.gz HJADEWNUTZOLNP-IEBWSBKVSA-N 1 1 343.427 0.842 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000866675575 589757089 /nfs/dbraw/zinc/75/70/89/589757089.db2.gz OKZQQUMVODMZPY-UONOGXRCSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000866675575 589757091 /nfs/dbraw/zinc/75/70/91/589757091.db2.gz OKZQQUMVODMZPY-UONOGXRCSA-N 1 1 339.392 0.839 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000866716375 589763014 /nfs/dbraw/zinc/76/30/14/589763014.db2.gz NAWRDOMSJZQKCS-RHSMWYFYSA-N 1 1 334.420 0.072 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C#Cc2cccs2)CC1=O ZINC000868386864 589899599 /nfs/dbraw/zinc/89/95/99/589899599.db2.gz JPUQEMAAAAUPAY-AWEZNQCLSA-N 1 1 349.456 0.395 20 30 ECEDMO C#Cc1cc(F)c(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000862121110 589921898 /nfs/dbraw/zinc/92/18/98/589921898.db2.gz PSCJNLLXEQQFCB-LLVKDONJSA-N 1 1 337.326 0.067 20 30 ECEDMO C#Cc1cc(F)c(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)c(F)c1 ZINC000862205646 589932205 /nfs/dbraw/zinc/93/22/05/589932205.db2.gz PSCJNLLXEQQFCB-NSHDSACASA-N 1 1 337.326 0.067 20 30 ECEDMO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)[C@H]1CCC(=O)N(CC2CCC2)C1 ZINC000871773661 590086767 /nfs/dbraw/zinc/08/67/67/590086767.db2.gz ZGGLVBPEHMKHQZ-OCCSQVGLSA-N 1 1 334.420 0.661 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872286298 590110953 /nfs/dbraw/zinc/11/09/53/590110953.db2.gz CRJZHLVGXQXIMX-AWEZNQCLSA-N 1 1 336.436 0.366 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCNC(=O)CC12CCOCC2 ZINC000872286298 590110954 /nfs/dbraw/zinc/11/09/54/590110954.db2.gz CRJZHLVGXQXIMX-AWEZNQCLSA-N 1 1 336.436 0.366 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1c[nH]c2ncncc12 ZINC000872330549 590115178 /nfs/dbraw/zinc/11/51/78/590115178.db2.gz QDVKSHVVTKVPLP-UHFFFAOYSA-N 1 1 347.448 0.430 20 30 ECEDMO C=C(C)C[C@@H]1NC(=O)N(C2CC[NH+](CC(=O)NCCC)CC2)C1=O ZINC000865299859 590138333 /nfs/dbraw/zinc/13/83/33/590138333.db2.gz RPFZEWDKEKASCB-AWEZNQCLSA-N 1 1 336.436 0.864 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000873813715 590203513 /nfs/dbraw/zinc/20/35/13/590203513.db2.gz SIBAUPMXHCVKAG-UHFFFAOYSA-N 1 1 348.378 0.783 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000873813715 590203514 /nfs/dbraw/zinc/20/35/14/590203514.db2.gz SIBAUPMXHCVKAG-UHFFFAOYSA-N 1 1 348.378 0.783 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534086 590320923 /nfs/dbraw/zinc/32/09/23/590320923.db2.gz MKGGACZBUJRJJS-BETUJISGSA-N 1 1 329.356 0.492 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nnnn2C)CC1 ZINC000879915757 590350234 /nfs/dbraw/zinc/35/02/34/590350234.db2.gz QEFBSZLCAMPHHZ-WBMJQRKESA-N 1 1 333.440 0.832 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000880136043 590370128 /nfs/dbraw/zinc/37/01/28/590370128.db2.gz DRFONAPILBEJIK-KURKYZTESA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C)CC1 ZINC000880136043 590370131 /nfs/dbraw/zinc/37/01/31/590370131.db2.gz DRFONAPILBEJIK-KURKYZTESA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@H]2CCCN3C)CC1 ZINC000880136043 590370134 /nfs/dbraw/zinc/37/01/34/590370134.db2.gz DRFONAPILBEJIK-KURKYZTESA-N 1 1 347.507 0.847 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876849264 590419529 /nfs/dbraw/zinc/41/95/29/590419529.db2.gz XRNOIVAPKJNIDG-WMZOPIPTSA-N 1 1 339.443 0.251 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881003928 590430450 /nfs/dbraw/zinc/43/04/50/590430450.db2.gz HGTPZUOIWNDQRI-QGZVFWFLSA-N 1 1 348.451 0.597 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)CC1(O)CCCC1 ZINC000878187109 590504323 /nfs/dbraw/zinc/50/43/23/590504323.db2.gz ZEAUNYUQUIYNKJ-LSDHHAIUSA-N 1 1 345.447 0.915 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)CC1(O)CCCC1 ZINC000878187109 590504326 /nfs/dbraw/zinc/50/43/26/590504326.db2.gz ZEAUNYUQUIYNKJ-LSDHHAIUSA-N 1 1 345.447 0.915 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCO[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC000879359284 590582202 /nfs/dbraw/zinc/58/22/02/590582202.db2.gz RCMXUWWKBVSANU-QGZVFWFLSA-N 1 1 340.420 0.185 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCO[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC000879359284 590582204 /nfs/dbraw/zinc/58/22/04/590582204.db2.gz RCMXUWWKBVSANU-QGZVFWFLSA-N 1 1 340.420 0.185 20 30 ECEDMO C#CC1(F)CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000883250658 590610308 /nfs/dbraw/zinc/61/03/08/590610308.db2.gz IJPRZFLHQJXYLM-UHFFFAOYSA-N 1 1 345.422 0.960 20 30 ECEDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000883893260 590678186 /nfs/dbraw/zinc/67/81/86/590678186.db2.gz HYRNAUJBYXVFEJ-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nnnn2-c2ccccc2)C1 ZINC000884133071 590751448 /nfs/dbraw/zinc/75/14/48/590751448.db2.gz KWTXPJPHFJADBZ-CQSZACIVSA-N 1 1 339.403 0.559 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nnnn2-c2ccccc2)C1 ZINC000884133071 590751452 /nfs/dbraw/zinc/75/14/52/590751452.db2.gz KWTXPJPHFJADBZ-CQSZACIVSA-N 1 1 339.403 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCc2cccc(C(=O)NC)c2)C1 ZINC000884168011 590760087 /nfs/dbraw/zinc/76/00/87/590760087.db2.gz VKAZJDDZUSZBHP-KRWDZBQOSA-N 1 1 342.443 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCc2cccc(C(=O)NC)c2)C1 ZINC000884168011 590760089 /nfs/dbraw/zinc/76/00/89/590760089.db2.gz VKAZJDDZUSZBHP-KRWDZBQOSA-N 1 1 342.443 0.986 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000884176822 590762675 /nfs/dbraw/zinc/76/26/75/590762675.db2.gz QXDCTXOGMBCEJQ-JTQLQIEISA-N 1 1 338.433 0.906 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000884176822 590762678 /nfs/dbraw/zinc/76/26/78/590762678.db2.gz QXDCTXOGMBCEJQ-JTQLQIEISA-N 1 1 338.433 0.906 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885929196 590782032 /nfs/dbraw/zinc/78/20/32/590782032.db2.gz MCVDBJRIJGEINF-HOCLYGCPSA-N 1 1 334.464 0.716 20 30 ECEDMO COCCC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000886064776 590789171 /nfs/dbraw/zinc/78/91/71/590789171.db2.gz IITZLSHQRJNZSJ-CABCVRRESA-N 1 1 344.477 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2(C(=O)OC)CCOCC2)C1 ZINC000884261446 590791205 /nfs/dbraw/zinc/79/12/05/590791205.db2.gz MCCHATAPIHOOLC-CQSZACIVSA-N 1 1 337.420 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(C(=O)OC)CCOCC2)C1 ZINC000884261446 590791207 /nfs/dbraw/zinc/79/12/07/590791207.db2.gz MCCHATAPIHOOLC-CQSZACIVSA-N 1 1 337.420 0.353 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450200 590832178 /nfs/dbraw/zinc/83/21/78/590832178.db2.gz AQVMPKAIJSCYMA-MWDXBVQZSA-N 1 1 336.480 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450200 590832182 /nfs/dbraw/zinc/83/21/82/590832182.db2.gz AQVMPKAIJSCYMA-MWDXBVQZSA-N 1 1 336.480 0.881 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@](C)(C#N)C2)CC1=O ZINC000887677042 590990807 /nfs/dbraw/zinc/99/08/07/590990807.db2.gz PGAGDRSVNCKRFB-HDMKZQKVSA-N 1 1 348.447 0.460 20 30 ECEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887684488 590991788 /nfs/dbraw/zinc/99/17/88/590991788.db2.gz JRHYXBOCMNUAEJ-INIZCTEOSA-N 1 1 328.376 0.977 20 30 ECEDMO O=C(c1cccc(C#CCO)c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889743569 591075621 /nfs/dbraw/zinc/07/56/21/591075621.db2.gz HDTQUBXOAGVLJV-QZTJIDSGSA-N 1 1 328.412 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)NC)C1 ZINC000890361348 591150398 /nfs/dbraw/zinc/15/03/98/591150398.db2.gz OSJYSWHIZRNXMP-GJZGRUSLSA-N 1 1 335.452 0.577 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)NC)C1 ZINC000890361348 591150400 /nfs/dbraw/zinc/15/04/00/591150400.db2.gz OSJYSWHIZRNXMP-GJZGRUSLSA-N 1 1 335.452 0.577 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC(CNC(=O)C(F)(F)F)C2)C1 ZINC000890361790 591150808 /nfs/dbraw/zinc/15/08/08/591150808.db2.gz ZUCVSUOGKAIWQI-GFCCVEGCSA-N 1 1 346.353 0.404 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC(CNC(=O)C(F)(F)F)C2)C1 ZINC000890361790 591150810 /nfs/dbraw/zinc/15/08/10/591150810.db2.gz ZUCVSUOGKAIWQI-GFCCVEGCSA-N 1 1 346.353 0.404 20 30 ECEDMO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)CC[C@@H]2C1 ZINC000946589288 611356543 /nfs/dbraw/zinc/35/65/43/611356543.db2.gz QDIDDCIGGSTZPG-IYBDPMFKSA-N 1 1 327.432 0.899 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C ZINC000948010872 611383412 /nfs/dbraw/zinc/38/34/12/611383412.db2.gz FFIQOVXRYHYPCH-NWDGAFQWSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C ZINC000948010872 611383415 /nfs/dbraw/zinc/38/34/15/611383415.db2.gz FFIQOVXRYHYPCH-NWDGAFQWSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C ZINC000948010870 611383435 /nfs/dbraw/zinc/38/34/35/611383435.db2.gz FFIQOVXRYHYPCH-NEPJUHHUSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C ZINC000948010870 611383437 /nfs/dbraw/zinc/38/34/37/611383437.db2.gz FFIQOVXRYHYPCH-NEPJUHHUSA-N 1 1 342.827 0.602 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)CC[C@@H]2C1 ZINC000946651771 611389994 /nfs/dbraw/zinc/38/99/94/611389994.db2.gz FJZAJMAHASBKAJ-ZNMIVQPWSA-N 1 1 343.431 0.350 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946668179 611403749 /nfs/dbraw/zinc/40/37/49/611403749.db2.gz RSLWLRKWQFPUBZ-GASCZTMLSA-N 1 1 333.432 0.882 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccoc3CC(N)=O)CC[C@@H]2C1 ZINC000946740075 611445214 /nfs/dbraw/zinc/44/52/14/611445214.db2.gz NTJACGGQECWRQO-OKILXGFUSA-N 1 1 329.400 0.725 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](N2C(=O)N[C@H](Cc3ccccc3O)C2=O)C1 ZINC000925315525 611468168 /nfs/dbraw/zinc/46/81/68/611468168.db2.gz BZCMKIOGQSSPIO-HUUCEWRRSA-N 1 1 327.384 0.953 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@H](Cc3ccccc3O)C2=O)C1 ZINC000925315525 611468173 /nfs/dbraw/zinc/46/81/73/611468173.db2.gz BZCMKIOGQSSPIO-HUUCEWRRSA-N 1 1 327.384 0.953 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000946785565 611477187 /nfs/dbraw/zinc/47/71/87/611477187.db2.gz BJEFGZNHFLEXTG-OAHLLOKOSA-N 1 1 346.435 0.279 20 30 ECEDMO C[C@H]1[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)CC[N@H+]1C ZINC000925336993 611471730 /nfs/dbraw/zinc/47/17/30/611471730.db2.gz VLYXEZNELLEGRE-DZGCQCFKSA-N 1 1 328.420 0.877 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000946796982 611486348 /nfs/dbraw/zinc/48/63/48/611486348.db2.gz VOLDTNDSIPGJRW-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 ZINC000931143222 611510647 /nfs/dbraw/zinc/51/06/47/611510647.db2.gz XMXZTTYZXYVXGW-UHFFFAOYSA-N 1 1 347.390 0.494 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000931141961 611510841 /nfs/dbraw/zinc/51/08/41/611510841.db2.gz GNZSXNFQNBSASX-UHFFFAOYSA-N 1 1 347.484 0.852 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000931151663 611511713 /nfs/dbraw/zinc/51/17/13/611511713.db2.gz ZZTPUCLFCJUZMR-INIZCTEOSA-N 1 1 332.448 0.139 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000948316626 611517863 /nfs/dbraw/zinc/51/78/63/611517863.db2.gz RUKRDUYNBBBALR-HNNXBMFYSA-N 1 1 331.420 0.901 20 30 ECEDMO COC1(OC)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1O ZINC000931645386 611561307 /nfs/dbraw/zinc/56/13/07/611561307.db2.gz KSBNFEDWJJXTGL-HOCLYGCPSA-N 1 1 336.388 0.354 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000931739881 611567435 /nfs/dbraw/zinc/56/74/35/611567435.db2.gz YGAAISDRKQVCNQ-MRXNPFEDSA-N 1 1 330.388 0.988 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000931821939 611572078 /nfs/dbraw/zinc/57/20/78/611572078.db2.gz SODDWGKRPJHIRT-OAGGEKHMSA-N 1 1 349.500 0.944 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000931821939 611572080 /nfs/dbraw/zinc/57/20/80/611572080.db2.gz SODDWGKRPJHIRT-OAGGEKHMSA-N 1 1 349.500 0.944 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948416703 611583053 /nfs/dbraw/zinc/58/30/53/611583053.db2.gz MNUOTTXFZVMNLL-HOTGVXAUSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1C ZINC000947567098 611599619 /nfs/dbraw/zinc/59/96/19/611599619.db2.gz BGHLBRNWMMKZIT-UONOGXRCSA-N 1 1 339.403 0.663 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000947632008 611626646 /nfs/dbraw/zinc/62/66/46/611626646.db2.gz VPBQKTIFRJXINN-HNNXBMFYSA-N 1 1 340.427 0.735 20 30 ECEDMO COc1ncc(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1C#N ZINC000932520225 611636360 /nfs/dbraw/zinc/63/63/60/611636360.db2.gz GNTPURYXNWDTJY-UHFFFAOYSA-N 1 1 332.408 0.673 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C[C@H]1C ZINC000947365357 608593153 /nfs/dbraw/zinc/59/31/53/608593153.db2.gz MHELYKCJBAZPQK-HIFRSBDPSA-N 1 1 329.400 0.767 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947368847 608598225 /nfs/dbraw/zinc/59/82/25/608598225.db2.gz BJOBLVIOIADJFI-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC000949389115 608665502 /nfs/dbraw/zinc/66/55/02/608665502.db2.gz SXTPYZRKXJLGCY-SFHVURJKSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC000949389115 608665504 /nfs/dbraw/zinc/66/55/04/608665504.db2.gz SXTPYZRKXJLGCY-SFHVURJKSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949447648 608682238 /nfs/dbraw/zinc/68/22/38/608682238.db2.gz WNBDSRJFQLPKAQ-QGZVFWFLSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949447648 608682241 /nfs/dbraw/zinc/68/22/41/608682241.db2.gz WNBDSRJFQLPKAQ-QGZVFWFLSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC3(CCNC(=O)O3)CC2)C1 ZINC000924035567 608725271 /nfs/dbraw/zinc/72/52/71/608725271.db2.gz JHUSMZMSSCDQDU-CQSZACIVSA-N 1 1 334.420 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC3(CCNC(=O)O3)CC2)C1 ZINC000924035567 608725275 /nfs/dbraw/zinc/72/52/75/608725275.db2.gz JHUSMZMSSCDQDU-CQSZACIVSA-N 1 1 334.420 0.758 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000948561308 611654968 /nfs/dbraw/zinc/65/49/68/611654968.db2.gz JXFJUFCRYVUUKD-MRXNPFEDSA-N 1 1 334.464 0.097 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000948562059 611655362 /nfs/dbraw/zinc/65/53/62/611655362.db2.gz QCAGHFJANRJHCB-LSDHHAIUSA-N 1 1 345.447 0.882 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000947037433 611657664 /nfs/dbraw/zinc/65/76/64/611657664.db2.gz YEJJXMDWAMHCDR-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO N#Cc1cccc(CNC(=O)CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000934257785 608805063 /nfs/dbraw/zinc/80/50/63/608805063.db2.gz NDSWLTDPUVKWOH-ROUUACIJSA-N 1 1 342.443 0.705 20 30 ECEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000934467451 608825205 /nfs/dbraw/zinc/82/52/05/608825205.db2.gz ZROSFSPVCBMYER-AWEZNQCLSA-N 1 1 337.445 0.643 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CC1 ZINC000937035526 608917696 /nfs/dbraw/zinc/91/76/96/608917696.db2.gz JHCBBKFJZBBBDM-QAETUUGQSA-N 1 1 345.443 0.321 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CC1 ZINC000937035526 608917698 /nfs/dbraw/zinc/91/76/98/608917698.db2.gz JHCBBKFJZBBBDM-QAETUUGQSA-N 1 1 345.443 0.321 20 30 ECEDMO N#C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CCN1C1CC1 ZINC000925148621 608928712 /nfs/dbraw/zinc/92/87/12/608928712.db2.gz KDMZTBKWPHVKKN-PMPSAXMXSA-N 1 1 349.504 0.948 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC#CCO)CC2)cc1 ZINC000923788028 608968988 /nfs/dbraw/zinc/96/89/88/608968988.db2.gz GNOUISLYABGIPC-UHFFFAOYSA-N 1 1 326.400 0.771 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937181962 609021264 /nfs/dbraw/zinc/02/12/64/609021264.db2.gz VSQBYWBVTODMPO-TZMCWYRMSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cncnc2C)C1 ZINC000937711660 609029244 /nfs/dbraw/zinc/02/92/44/609029244.db2.gz QKSHUXVBNCTVOZ-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cncnc2C)C1 ZINC000937711660 609029248 /nfs/dbraw/zinc/02/92/48/609029248.db2.gz QKSHUXVBNCTVOZ-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2=COCCC2)C1 ZINC000937740918 609048797 /nfs/dbraw/zinc/04/87/97/609048797.db2.gz KSIKXLYKOGSQHW-HOTGVXAUSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2=COCCC2)C1 ZINC000937740918 609048800 /nfs/dbraw/zinc/04/88/00/609048800.db2.gz KSIKXLYKOGSQHW-HOTGVXAUSA-N 1 1 331.416 0.495 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2C)nc1 ZINC000937219938 609056263 /nfs/dbraw/zinc/05/62/63/609056263.db2.gz UDLKMGHRUHUTND-HOTGVXAUSA-N 1 1 349.394 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC000936757572 609057418 /nfs/dbraw/zinc/05/74/18/609057418.db2.gz VUBPNFCTWCFLGZ-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC000936757572 609057420 /nfs/dbraw/zinc/05/74/20/609057420.db2.gz VUBPNFCTWCFLGZ-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)c3)[C@H](C)C2)nn1 ZINC000947792831 611693000 /nfs/dbraw/zinc/69/30/00/611693000.db2.gz SROJMTHKBSBUDK-UKRRQHHQSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnc(C)n2)C1 ZINC000938170828 609482545 /nfs/dbraw/zinc/48/25/45/609482545.db2.gz OXXMCVSAYDJRNX-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnc(C)n2)C1 ZINC000938170828 609482548 /nfs/dbraw/zinc/48/25/48/609482548.db2.gz OXXMCVSAYDJRNX-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2csnc2C)C1 ZINC000938171035 609483466 /nfs/dbraw/zinc/48/34/66/609483466.db2.gz STLUOJZYRSKTDV-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2csnc2C)C1 ZINC000938171035 609483470 /nfs/dbraw/zinc/48/34/70/609483470.db2.gz STLUOJZYRSKTDV-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cccc2)C1 ZINC000938171232 609483945 /nfs/dbraw/zinc/48/39/45/609483945.db2.gz ZCPSYHPCVNYOLH-IRXDYDNUSA-N 1 1 342.443 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cccc2)C1 ZINC000938171232 609483946 /nfs/dbraw/zinc/48/39/46/609483946.db2.gz ZCPSYHPCVNYOLH-IRXDYDNUSA-N 1 1 342.443 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C)n2C)C1 ZINC000938171781 609484452 /nfs/dbraw/zinc/48/44/52/609484452.db2.gz KUMIZLUVDCVDHE-HOTGVXAUSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C)n2C)C1 ZINC000938171781 609484453 /nfs/dbraw/zinc/48/44/53/609484453.db2.gz KUMIZLUVDCVDHE-HOTGVXAUSA-N 1 1 342.443 0.762 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000908014329 609637294 /nfs/dbraw/zinc/63/72/94/609637294.db2.gz HXPPNPQJTRNUFX-SJORKVTESA-N 1 1 349.456 0.972 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000908014329 609637296 /nfs/dbraw/zinc/63/72/96/609637296.db2.gz HXPPNPQJTRNUFX-SJORKVTESA-N 1 1 349.456 0.972 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)C1 ZINC000923599274 609674828 /nfs/dbraw/zinc/67/48/28/609674828.db2.gz SWUMUBAPTFUELJ-TUAOUCFPSA-N 1 1 331.338 0.515 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)C1 ZINC000923599274 609674830 /nfs/dbraw/zinc/67/48/30/609674830.db2.gz SWUMUBAPTFUELJ-TUAOUCFPSA-N 1 1 331.338 0.515 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000920420781 609681894 /nfs/dbraw/zinc/68/18/94/609681894.db2.gz ATSRCKALHXDCKA-GJZGRUSLSA-N 1 1 325.457 0.582 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000921437806 609716644 /nfs/dbraw/zinc/71/66/44/609716644.db2.gz HJSRIBQCGGZTAK-UHFFFAOYSA-N 1 1 328.825 0.693 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)ncn3C)CC1 ZINC000921437572 609716700 /nfs/dbraw/zinc/71/67/00/609716700.db2.gz AXSBVKZIYYKYQR-UHFFFAOYSA-N 1 1 332.429 0.949 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)CC2(C(=O)OC)CCCC2)CC1 ZINC000921436859 609716718 /nfs/dbraw/zinc/71/67/18/609716718.db2.gz FPVHDUZLJADPCX-UHFFFAOYSA-N 1 1 342.461 0.737 20 30 ECEDMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000910731563 609753557 /nfs/dbraw/zinc/75/35/57/609753557.db2.gz MQKLVFKACVEVCM-CVEARBPZSA-N 1 1 344.415 0.260 20 30 ECEDMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000910731563 609753560 /nfs/dbraw/zinc/75/35/60/609753560.db2.gz MQKLVFKACVEVCM-CVEARBPZSA-N 1 1 344.415 0.260 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C[C@@H]1C ZINC000947344497 609786321 /nfs/dbraw/zinc/78/63/21/609786321.db2.gz VYZOYFLNWOMHTG-UONOGXRCSA-N 1 1 332.452 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CN3CCOCC3)o2)C1 ZINC000923596451 609803313 /nfs/dbraw/zinc/80/33/13/609803313.db2.gz QSTJLTWUQZYWTK-OAHLLOKOSA-N 1 1 331.416 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CN3CCOCC3)o2)C1 ZINC000923596451 609803315 /nfs/dbraw/zinc/80/33/15/609803315.db2.gz QSTJLTWUQZYWTK-OAHLLOKOSA-N 1 1 331.416 0.939 20 30 ECEDMO COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@@H+]2CCC(=O)N(C)CCC#N)O1 ZINC000933194251 611714595 /nfs/dbraw/zinc/71/45/95/611714595.db2.gz BUJFPKIXVRFKOR-JYJNAYRXSA-N 1 1 339.436 0.643 20 30 ECEDMO COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@H+]2CCC(=O)N(C)CCC#N)O1 ZINC000933194251 611714597 /nfs/dbraw/zinc/71/45/97/611714597.db2.gz BUJFPKIXVRFKOR-JYJNAYRXSA-N 1 1 339.436 0.643 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000938613017 609900267 /nfs/dbraw/zinc/90/02/67/609900267.db2.gz OBFPMXCHIIEALE-DAXOMENPSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CCOC[C@@H]([N-]S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)C(=O)OC ZINC000915170383 609906196 /nfs/dbraw/zinc/90/61/96/609906196.db2.gz AVQRGJIRTOUIGF-HIFRSBDPSA-N 1 1 346.449 0.136 20 30 ECEDMO C=CCOC[C@@H](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)C(=O)OC ZINC000915170383 609906200 /nfs/dbraw/zinc/90/62/00/609906200.db2.gz AVQRGJIRTOUIGF-HIFRSBDPSA-N 1 1 346.449 0.136 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)CSCC#N)C1 ZINC000915386771 609911080 /nfs/dbraw/zinc/91/10/80/609911080.db2.gz QWRIGDWAOCEDGM-CYBMUJFWSA-N 1 1 343.449 0.259 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000912297023 609944983 /nfs/dbraw/zinc/94/49/83/609944983.db2.gz WUXQBWBJVISPNA-JLSDUUJJSA-N 1 1 328.416 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC000938754802 609973167 /nfs/dbraw/zinc/97/31/67/609973167.db2.gz ONKLCCOBWCOILB-CVEARBPZSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC000938754802 609973171 /nfs/dbraw/zinc/97/31/71/609973171.db2.gz ONKLCCOBWCOILB-CVEARBPZSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC000938756391 609981905 /nfs/dbraw/zinc/98/19/05/609981905.db2.gz OMDABIJNAMYKDS-CABCVRRESA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC000938756391 609981909 /nfs/dbraw/zinc/98/19/09/609981909.db2.gz OMDABIJNAMYKDS-CABCVRRESA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2coc(C)n2)C1 ZINC000938756165 609982102 /nfs/dbraw/zinc/98/21/02/609982102.db2.gz JENFTFGVTWAABE-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2coc(C)n2)C1 ZINC000938756165 609982104 /nfs/dbraw/zinc/98/21/04/609982104.db2.gz JENFTFGVTWAABE-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC000938756865 609982706 /nfs/dbraw/zinc/98/27/06/609982706.db2.gz ZNPNIEPKMMFVKJ-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC000938756865 609982709 /nfs/dbraw/zinc/98/27/09/609982709.db2.gz ZNPNIEPKMMFVKJ-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2oncc2C)C1 ZINC000938756709 609982839 /nfs/dbraw/zinc/98/28/39/609982839.db2.gz VXUXMAHNGQNEII-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2oncc2C)C1 ZINC000938756709 609982842 /nfs/dbraw/zinc/98/28/42/609982842.db2.gz VXUXMAHNGQNEII-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000919296838 610038771 /nfs/dbraw/zinc/03/87/71/610038771.db2.gz LJBUOXAWHNVIML-HZPDHXFCSA-N 1 1 345.447 0.276 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000939007116 610067914 /nfs/dbraw/zinc/06/79/14/610067914.db2.gz UXMUNVBXXHAKNV-QLFBSQMISA-N 1 1 337.464 0.977 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000939007116 610067915 /nfs/dbraw/zinc/06/79/15/610067915.db2.gz UXMUNVBXXHAKNV-QLFBSQMISA-N 1 1 337.464 0.977 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000939623058 610251138 /nfs/dbraw/zinc/25/11/38/610251138.db2.gz QDZMWRRXKCJSGK-RDTXWAMCSA-N 1 1 337.427 0.976 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)C1 ZINC000941426509 610300683 /nfs/dbraw/zinc/30/06/83/610300683.db2.gz AGMMXRLZFYHGBK-UHFFFAOYSA-N 1 1 338.415 0.423 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)COc3cc(C)on3)CC2)C1 ZINC000941444187 610309408 /nfs/dbraw/zinc/30/94/08/610309408.db2.gz IMEWTBAUCHDRSH-UHFFFAOYSA-N 1 1 334.420 0.766 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000940664204 610327755 /nfs/dbraw/zinc/32/77/55/610327755.db2.gz IZZFVSUVERDDAH-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC000941467726 610328595 /nfs/dbraw/zinc/32/85/95/610328595.db2.gz GYCVVKAZOGFWDK-UHFFFAOYSA-N 1 1 335.427 0.871 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc4ccccn34)CC2)C1 ZINC000941468690 610328707 /nfs/dbraw/zinc/32/87/07/610328707.db2.gz XOEPUSKFBFOJLE-UHFFFAOYSA-N 1 1 337.427 0.800 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C ZINC000947895060 610328839 /nfs/dbraw/zinc/32/88/39/610328839.db2.gz GSOIGUZRVINORW-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CCc3c(C)nc[nH]c3=O)CC2)C1 ZINC000941471775 610330303 /nfs/dbraw/zinc/33/03/03/610330303.db2.gz LNXMLNABCPYUNS-UHFFFAOYSA-N 1 1 345.447 0.438 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCNC2=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940687806 610330751 /nfs/dbraw/zinc/33/07/51/610330751.db2.gz VQYPOIKCVDTRLP-KBPBESRZSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2n[nH]cc2F)CC1 ZINC000941465167 610333942 /nfs/dbraw/zinc/33/39/42/610333942.db2.gz JDGIXKFVRSKVOF-AWEZNQCLSA-N 1 1 347.394 0.321 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2n[nH]cc2F)CC1 ZINC000941465167 610333943 /nfs/dbraw/zinc/33/39/43/610333943.db2.gz JDGIXKFVRSKVOF-AWEZNQCLSA-N 1 1 347.394 0.321 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)COc3c(C)occc3=O)CC2)C1 ZINC000941480218 610335100 /nfs/dbraw/zinc/33/51/00/610335100.db2.gz IFHDVBOFVJJNFX-UHFFFAOYSA-N 1 1 347.415 0.341 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc4c(c3)ncn4C)CC2)C1 ZINC000941513728 610352627 /nfs/dbraw/zinc/35/26/27/610352627.db2.gz PTLMIHXEFNCIHA-UHFFFAOYSA-N 1 1 340.431 0.596 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000940762546 610354038 /nfs/dbraw/zinc/35/40/38/610354038.db2.gz BAYPOAWKMHOTIH-IRXDYDNUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000940762546 610354040 /nfs/dbraw/zinc/35/40/40/610354040.db2.gz BAYPOAWKMHOTIH-IRXDYDNUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3cncs3)CC2)C1 ZINC000941567312 610376912 /nfs/dbraw/zinc/37/69/12/610376912.db2.gz QSNOBMRMSDJMKP-UHFFFAOYSA-N 1 1 332.473 0.927 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccnc4c3ncn4C)CC2)C1 ZINC000941560082 610382138 /nfs/dbraw/zinc/38/21/38/610382138.db2.gz VRUOAMPCJRXGTN-UHFFFAOYSA-N 1 1 340.431 0.596 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C#CC3CC3)C1)CC2 ZINC000942292674 610383921 /nfs/dbraw/zinc/38/39/21/610383921.db2.gz SOFZEKICWQRAKE-JKSUJKDBSA-N 1 1 340.427 0.884 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000941592595 610388108 /nfs/dbraw/zinc/38/81/08/610388108.db2.gz JGZCGSFMCOBXJY-HUUCEWRRSA-N 1 1 334.464 0.293 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CCc3nc(C4CC4)no3)CC2)C1 ZINC000941595747 610390703 /nfs/dbraw/zinc/39/07/03/610390703.db2.gz NICQAXPCXSPDAY-UHFFFAOYSA-N 1 1 345.447 0.894 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000940846513 610398071 /nfs/dbraw/zinc/39/80/71/610398071.db2.gz BDOKLDHJERIJPB-HNNXBMFYSA-N 1 1 336.480 0.553 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000941598645 610399763 /nfs/dbraw/zinc/39/97/63/610399763.db2.gz FBGRPALHQPHZEP-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3nnnn3c2)C(C)(C)C1 ZINC000940888378 610416842 /nfs/dbraw/zinc/41/68/42/610416842.db2.gz LMZZYFNVSMDITE-AWEZNQCLSA-N 1 1 326.404 0.978 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC000941635642 610421212 /nfs/dbraw/zinc/42/12/12/610421212.db2.gz VOSNAPKUZNOBBE-LJQANCHMSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@H](C)N3CCCC3=O)CC2)C1 ZINC000941636896 610422998 /nfs/dbraw/zinc/42/29/98/610422998.db2.gz XOLBPXBSWIQXEW-INIZCTEOSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3C3CC3)CC2)C1 ZINC000941626114 610428732 /nfs/dbraw/zinc/42/87/32/610428732.db2.gz AQVKBGHWYLZLDQ-UHFFFAOYSA-N 1 1 327.432 0.752 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](C)C1 ZINC000942394971 610429021 /nfs/dbraw/zinc/42/90/21/610429021.db2.gz VHSQRQDIJTZKHK-LSDHHAIUSA-N 1 1 348.447 0.906 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000941676404 610449090 /nfs/dbraw/zinc/44/90/90/610449090.db2.gz APLJWWUMHGUACP-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000942430360 610449160 /nfs/dbraw/zinc/44/91/60/610449160.db2.gz UNGSWFVDGHOJOI-BBWFWOEESA-N 1 1 346.475 0.285 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4nncn4C3)CC2)C1 ZINC000941676637 610449409 /nfs/dbraw/zinc/44/94/09/610449409.db2.gz BZRVQPVUQKDQIH-OAHLLOKOSA-N 1 1 344.463 0.245 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3csc(COC)n3)CC2)C1 ZINC000941684843 610462688 /nfs/dbraw/zinc/46/26/88/610462688.db2.gz BJIJQHSCPPOIBL-UHFFFAOYSA-N 1 1 336.461 0.918 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnc(OCC)cn3)CC2)C1 ZINC000941690325 610465727 /nfs/dbraw/zinc/46/57/27/610465727.db2.gz IWEHUBHLYPOFTG-UHFFFAOYSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccnnc2C)C1 ZINC000941797510 610503869 /nfs/dbraw/zinc/50/38/69/610503869.db2.gz KIXFPKOSNPKMIG-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccnnc2C)C1 ZINC000941797510 610503872 /nfs/dbraw/zinc/50/38/72/610503872.db2.gz KIXFPKOSNPKMIG-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@H](C)C1 ZINC000942551297 610509325 /nfs/dbraw/zinc/50/93/25/610509325.db2.gz RAHNJVPAAXHLHI-IUODEOHRSA-N 1 1 330.432 0.861 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942563173 610519584 /nfs/dbraw/zinc/51/95/84/610519584.db2.gz VVZYIVLOBQQTEF-GWCFXTLKSA-N 1 1 345.432 0.784 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@@H](C)C1 ZINC000942581457 610524983 /nfs/dbraw/zinc/52/49/83/610524983.db2.gz HDGYBPBNMLJIGT-GXTWGEPZSA-N 1 1 326.404 0.827 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941090498 610531265 /nfs/dbraw/zinc/53/12/65/610531265.db2.gz HGYWASVSQWKGHW-STQMWFEESA-N 1 1 329.466 0.423 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000941090646 610531361 /nfs/dbraw/zinc/53/13/61/610531361.db2.gz INXKZYWYPFLJSY-YNAXMUEKSA-N 1 1 346.431 0.215 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H](C)C1 ZINC000942618131 610539604 /nfs/dbraw/zinc/53/96/04/610539604.db2.gz UEQUURNZPUJPDY-JQWIXIFHSA-N 1 1 341.437 0.073 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC000941882303 610540982 /nfs/dbraw/zinc/54/09/82/610540982.db2.gz WYCOGKCTPCTAOF-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC000941882302 610541313 /nfs/dbraw/zinc/54/13/13/610541313.db2.gz WYCOGKCTPCTAOF-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)C(C)(C)C1 ZINC000941174874 610576578 /nfs/dbraw/zinc/57/65/78/610576578.db2.gz LOCFYODAAXKOKW-OAHLLOKOSA-N 1 1 330.432 0.792 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC000941176167 610576757 /nfs/dbraw/zinc/57/67/57/610576757.db2.gz FWTBWAIERRJLRO-RDBSUJKOSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC000941176167 610576759 /nfs/dbraw/zinc/57/67/59/610576759.db2.gz FWTBWAIERRJLRO-RDBSUJKOSA-N 1 1 339.386 0.846 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965481 610587594 /nfs/dbraw/zinc/58/75/94/610587594.db2.gz YDHHSIZFNNOPKW-IAQYHMDHSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965481 610587596 /nfs/dbraw/zinc/58/75/96/610587596.db2.gz YDHHSIZFNNOPKW-IAQYHMDHSA-N 1 1 327.392 0.655 20 30 ECEDMO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000942728306 610588890 /nfs/dbraw/zinc/58/88/90/610588890.db2.gz CFCDTEWCNHREIL-HUUCEWRRSA-N 1 1 343.431 0.901 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1)C2 ZINC000942153042 610676203 /nfs/dbraw/zinc/67/62/03/610676203.db2.gz NNFRMOLTMOUBBK-ZFWWWQNUSA-N 1 1 343.431 0.975 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC000941353234 610688606 /nfs/dbraw/zinc/68/86/06/610688606.db2.gz PWXNAMHYBJXMEE-CYBMUJFWSA-N 1 1 330.388 0.480 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000942194336 610694784 /nfs/dbraw/zinc/69/47/84/610694784.db2.gz AEPCTJYHHJOSHT-AAEUAGOBSA-N 1 1 341.433 0.943 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H](C)C1 ZINC000942208475 610697044 /nfs/dbraw/zinc/69/70/44/610697044.db2.gz PKKGERBEWOAADQ-OLZOCXBDSA-N 1 1 330.392 0.946 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H](C)C1 ZINC000942208477 610697430 /nfs/dbraw/zinc/69/74/30/610697430.db2.gz PKKGERBEWOAADQ-STQMWFEESA-N 1 1 330.392 0.946 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000941391227 610705564 /nfs/dbraw/zinc/70/55/64/610705564.db2.gz VWRGMLXSCVLLBS-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3[nH]nc4c3CCCC4)CC2)C1 ZINC000941410436 610720465 /nfs/dbraw/zinc/72/04/65/610720465.db2.gz HUWLISRYUJYZJQ-UHFFFAOYSA-N 1 1 343.475 0.845 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 ZINC000944136023 610752282 /nfs/dbraw/zinc/75/22/82/610752282.db2.gz QLKXKWOFZHYAJQ-PWSUYJOCSA-N 1 1 342.827 0.460 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 ZINC000944136023 610752284 /nfs/dbraw/zinc/75/22/84/610752284.db2.gz QLKXKWOFZHYAJQ-PWSUYJOCSA-N 1 1 342.827 0.460 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2cn[nH]c2)C1 ZINC000943337017 610807948 /nfs/dbraw/zinc/80/79/48/610807948.db2.gz PCCSXOCSURZXNI-HOTGVXAUSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2cn[nH]c2)C1 ZINC000943337017 610807949 /nfs/dbraw/zinc/80/79/49/610807949.db2.gz PCCSXOCSURZXNI-HOTGVXAUSA-N 1 1 343.431 0.618 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000944909909 610835808 /nfs/dbraw/zinc/83/58/08/610835808.db2.gz WYMOAVUWMDQJSQ-CABZTGNLSA-N 1 1 340.811 0.679 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000944909909 610835809 /nfs/dbraw/zinc/83/58/09/610835809.db2.gz WYMOAVUWMDQJSQ-CABZTGNLSA-N 1 1 340.811 0.679 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccn(C)n3)C[C@@H]2C)nn1 ZINC000943482767 610869297 /nfs/dbraw/zinc/86/92/97/610869297.db2.gz QMZKUZZIXIAPSM-DZGCQCFKSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)n3)C[C@@H]2C)nn1 ZINC000943482767 610869298 /nfs/dbraw/zinc/86/92/98/610869298.db2.gz QMZKUZZIXIAPSM-DZGCQCFKSA-N 1 1 343.435 0.838 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](C)C1 ZINC000943516329 610881550 /nfs/dbraw/zinc/88/15/50/610881550.db2.gz LMDHKBJXAFOCBH-HUUCEWRRSA-N 1 1 346.435 0.029 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](C)C1 ZINC000943517064 610882002 /nfs/dbraw/zinc/88/20/02/610882002.db2.gz NXGBQGHQWWFEEX-UONOGXRCSA-N 1 1 334.424 0.191 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC000945035156 610890342 /nfs/dbraw/zinc/89/03/42/610890342.db2.gz KGGMCZYYKAOTOA-LSDHHAIUSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ccn[nH]2)CC1 ZINC000943633976 610915848 /nfs/dbraw/zinc/91/58/48/610915848.db2.gz IFNCKNKNNCIGAM-DZKIICNBSA-N 1 1 343.431 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ccn[nH]2)CC1 ZINC000943633976 610915849 /nfs/dbraw/zinc/91/58/49/610915849.db2.gz IFNCKNKNNCIGAM-DZKIICNBSA-N 1 1 343.431 0.665 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](C)C1 ZINC000945178685 610933482 /nfs/dbraw/zinc/93/34/82/610933482.db2.gz GFCZAWYXSOVDHC-KBPBESRZSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cccnc2)CC1 ZINC000943682395 610933927 /nfs/dbraw/zinc/93/39/27/610933927.db2.gz YTHLWOADNGYCED-KRWDZBQOSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cccnc2)CC1 ZINC000943682395 610933930 /nfs/dbraw/zinc/93/39/30/610933930.db2.gz YTHLWOADNGYCED-KRWDZBQOSA-N 1 1 340.427 0.900 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000943682639 610943642 /nfs/dbraw/zinc/94/36/42/610943642.db2.gz ASEGRYFIOHYPIP-BPLDGKMQSA-N 1 1 343.431 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)nc1 ZINC000943914492 611038138 /nfs/dbraw/zinc/03/81/38/611038138.db2.gz KQOMTWDFUAJAHV-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(CC)CC)CCO1 ZINC000944646237 611055515 /nfs/dbraw/zinc/05/55/15/611055515.db2.gz GPICXVIZAXWZPS-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(CC)CC)CCO1 ZINC000944646237 611055520 /nfs/dbraw/zinc/05/55/20/611055520.db2.gz GPICXVIZAXWZPS-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CCOCC1 ZINC000943976790 611063752 /nfs/dbraw/zinc/06/37/52/611063752.db2.gz LOYAETKVNCXOLR-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=CCOCC1 ZINC000943976790 611063755 /nfs/dbraw/zinc/06/37/55/611063755.db2.gz LOYAETKVNCXOLR-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cncnc1 ZINC000943977227 611064176 /nfs/dbraw/zinc/06/41/76/611064176.db2.gz YGVKYSXPXHAQLK-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cncnc1 ZINC000943977227 611064179 /nfs/dbraw/zinc/06/41/79/611064179.db2.gz YGVKYSXPXHAQLK-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1coc(C)n1 ZINC000944099390 611131571 /nfs/dbraw/zinc/13/15/71/611131571.db2.gz JIWJLAWOPIABBL-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1coc(C)n1 ZINC000944099390 611131572 /nfs/dbraw/zinc/13/15/72/611131572.db2.gz JIWJLAWOPIABBL-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)CC[C@@H]2C1 ZINC000946813033 611170276 /nfs/dbraw/zinc/17/02/76/611170276.db2.gz JGFFJTZKNXCZPM-GASCZTMLSA-N 1 1 330.436 0.600 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(=O)NC)nc3)CC[C@@H]2C1 ZINC000946864016 611206039 /nfs/dbraw/zinc/20/60/39/611206039.db2.gz PDKCCRIXIWFTNP-IYBDPMFKSA-N 1 1 340.427 0.858 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)CC[C@@H]2C1 ZINC000946884824 611225099 /nfs/dbraw/zinc/22/50/99/611225099.db2.gz PPCVZMCKHGRKNU-GASCZTMLSA-N 1 1 346.431 0.074 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946887503 611227067 /nfs/dbraw/zinc/22/70/67/611227067.db2.gz LLUVFDKDFSAFOV-GASCZTMLSA-N 1 1 333.432 0.882 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)CC[C@@H]2C1 ZINC000946897303 611237877 /nfs/dbraw/zinc/23/78/77/611237877.db2.gz YNCKJTWCNSSONC-GASCZTMLSA-N 1 1 340.427 0.988 20 30 ECEDMO N#Cc1ccc([C@H](O)CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413091 611240626 /nfs/dbraw/zinc/24/06/26/611240626.db2.gz BLDCKKQSTFILNM-HZMVEIRTSA-N 1 1 342.399 0.459 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)CC[C@@H]2C1 ZINC000946918561 611261512 /nfs/dbraw/zinc/26/15/12/611261512.db2.gz MFAVWEBJXKBJNB-IYBDPMFKSA-N 1 1 340.427 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)COCCNC(=O)OC(C)(C)C)C1 ZINC000923576949 611266544 /nfs/dbraw/zinc/26/65/44/611266544.db2.gz XLRPLAPFGMKEAZ-AWEZNQCLSA-N 1 1 339.436 0.742 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)COCCNC(=O)OC(C)(C)C)C1 ZINC000923576949 611266546 /nfs/dbraw/zinc/26/65/46/611266546.db2.gz XLRPLAPFGMKEAZ-AWEZNQCLSA-N 1 1 339.436 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000923573829 611266933 /nfs/dbraw/zinc/26/69/33/611266933.db2.gz BZAJPCSPZJFXGI-CMTMBAJVSA-N 1 1 330.388 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000923573829 611266934 /nfs/dbraw/zinc/26/69/34/611266934.db2.gz BZAJPCSPZJFXGI-CMTMBAJVSA-N 1 1 330.388 0.117 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000923589641 611270568 /nfs/dbraw/zinc/27/05/68/611270568.db2.gz IYMGVHDPADERDR-ZDUSSCGKSA-N 1 1 325.368 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000923589641 611270569 /nfs/dbraw/zinc/27/05/69/611270569.db2.gz IYMGVHDPADERDR-ZDUSSCGKSA-N 1 1 325.368 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCc2c(C)nc3ncnn3c2C)C1 ZINC000923591677 611271050 /nfs/dbraw/zinc/27/10/50/611271050.db2.gz BEPKLMXUNYMWNP-HNNXBMFYSA-N 1 1 340.431 0.888 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCc2c(C)nc3ncnn3c2C)C1 ZINC000923591677 611271052 /nfs/dbraw/zinc/27/10/52/611271052.db2.gz BEPKLMXUNYMWNP-HNNXBMFYSA-N 1 1 340.431 0.888 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)Oc3ccccc3NC2=O)C1 ZINC000923594009 611275201 /nfs/dbraw/zinc/27/52/01/611275201.db2.gz FNCINJYERDPGNQ-ACJLOTCBSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)Oc3ccccc3NC2=O)C1 ZINC000923594009 611275202 /nfs/dbraw/zinc/27/52/02/611275202.db2.gz FNCINJYERDPGNQ-ACJLOTCBSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000948597431 611291695 /nfs/dbraw/zinc/29/16/95/611291695.db2.gz BBCSPHSLRKXZEE-HUUCEWRRSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000948597431 611291697 /nfs/dbraw/zinc/29/16/97/611291697.db2.gz BBCSPHSLRKXZEE-HUUCEWRRSA-N 1 1 326.462 0.757 20 30 ECEDMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1 ZINC000946542100 611313753 /nfs/dbraw/zinc/31/37/53/611313753.db2.gz DODAHTGPKZFWSF-LZWOXQAQSA-N 1 1 343.431 0.934 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)NCCCCC[NH+]2CCNCC2)c1 ZINC000923682318 611342205 /nfs/dbraw/zinc/34/22/05/611342205.db2.gz YLGDAHVSMYKQAH-UHFFFAOYSA-N 1 1 337.449 0.307 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000922191614 611342571 /nfs/dbraw/zinc/34/25/71/611342571.db2.gz XAMFFBABJFLCDM-ROUUACIJSA-N 1 1 345.443 0.961 20 30 ECEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)C2=O)cc1 ZINC000933724219 611744780 /nfs/dbraw/zinc/74/47/80/611744780.db2.gz VIRDJLCADDCUHH-IJEWVQPXSA-N 1 1 345.424 0.640 20 30 ECEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)C2=O)cc1 ZINC000933724219 611744781 /nfs/dbraw/zinc/74/47/81/611744781.db2.gz VIRDJLCADDCUHH-IJEWVQPXSA-N 1 1 345.424 0.640 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(CNC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000948956066 611768020 /nfs/dbraw/zinc/76/80/20/611768020.db2.gz LPSUGDXQLWYEDB-AWEZNQCLSA-N 1 1 343.431 0.806 20 30 ECEDMO CCn1nncc1C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC000949051887 611829353 /nfs/dbraw/zinc/82/93/53/611829353.db2.gz SFJOWRJNOCAYAS-AWEZNQCLSA-N 1 1 346.435 0.651 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 ZINC000949174712 611888760 /nfs/dbraw/zinc/88/87/60/611888760.db2.gz YXUPMWFYDDVBQH-UHFFFAOYSA-N 1 1 342.399 0.237 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccncc1C ZINC000950755059 611890647 /nfs/dbraw/zinc/89/06/47/611890647.db2.gz CHDIWUCLYMMJHP-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccncc1C ZINC000950755059 611890649 /nfs/dbraw/zinc/89/06/49/611890649.db2.gz CHDIWUCLYMMJHP-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 ZINC000949285521 611928046 /nfs/dbraw/zinc/92/80/46/611928046.db2.gz JRDTXXQHTHTAES-UHFFFAOYSA-N 1 1 329.400 0.650 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 ZINC000949285521 611928048 /nfs/dbraw/zinc/92/80/48/611928048.db2.gz JRDTXXQHTHTAES-UHFFFAOYSA-N 1 1 329.400 0.650 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000949299295 611931970 /nfs/dbraw/zinc/93/19/70/611931970.db2.gz XDAINJKXZLJWLW-KWCYVHTRSA-N 1 1 329.404 0.557 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949299234 611932002 /nfs/dbraw/zinc/93/20/02/611932002.db2.gz VORQXZKSYNOBNN-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000950855096 611947039 /nfs/dbraw/zinc/94/70/39/611947039.db2.gz YGSMYQARODJCED-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000950862954 611951711 /nfs/dbraw/zinc/95/17/11/611951711.db2.gz ODZOEHJGHBNALJ-HOTGVXAUSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC000949361253 611952129 /nfs/dbraw/zinc/95/21/29/611952129.db2.gz OZPCVFKZCAIEHF-CVEARBPZSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC000949361253 611952131 /nfs/dbraw/zinc/95/21/31/611952131.db2.gz OZPCVFKZCAIEHF-CVEARBPZSA-N 1 1 344.390 0.649 20 30 ECEDMO C=CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370147 611954446 /nfs/dbraw/zinc/95/44/46/611954446.db2.gz LHXSSIARBPWJPK-SJORKVTESA-N 1 1 349.475 0.729 20 30 ECEDMO N#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370336 611954800 /nfs/dbraw/zinc/95/48/00/611954800.db2.gz PWFASMBWFPOITK-JKSUJKDBSA-N 1 1 348.447 0.067 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1 ZINC000949391638 611962031 /nfs/dbraw/zinc/96/20/31/611962031.db2.gz NQJHLDBOKCMNNB-UHFFFAOYSA-N 1 1 332.404 0.754 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1 ZINC000949391638 611962033 /nfs/dbraw/zinc/96/20/33/611962033.db2.gz NQJHLDBOKCMNNB-UHFFFAOYSA-N 1 1 332.404 0.754 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N[C@H](C)C3)CC2)C1 ZINC000949401427 611966116 /nfs/dbraw/zinc/96/61/16/611966116.db2.gz BXHZWVAZKCZPSX-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N[C@H](C)C3)CC2)C1 ZINC000949401427 611966117 /nfs/dbraw/zinc/96/61/17/611966117.db2.gz BXHZWVAZKCZPSX-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1 ZINC000949433329 611978764 /nfs/dbraw/zinc/97/87/64/611978764.db2.gz PCZCMEKUQQKZHT-UHFFFAOYSA-N 1 1 332.404 0.456 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1 ZINC000949433329 611978766 /nfs/dbraw/zinc/97/87/66/611978766.db2.gz PCZCMEKUQQKZHT-UHFFFAOYSA-N 1 1 332.404 0.456 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC000949468987 611990571 /nfs/dbraw/zinc/99/05/71/611990571.db2.gz OUYUTCAYPPXLLR-UHFFFAOYSA-N 1 1 345.399 0.709 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](CCCO)CCO2 ZINC000949477148 611994085 /nfs/dbraw/zinc/99/40/85/611994085.db2.gz QGPKTGNDILLNHU-CVEARBPZSA-N 1 1 338.448 0.653 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949479633 611995334 /nfs/dbraw/zinc/99/53/34/611995334.db2.gz BVBLQJHDJYNSJW-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949479633 611995335 /nfs/dbraw/zinc/99/53/35/611995335.db2.gz BVBLQJHDJYNSJW-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000949502613 612011177 /nfs/dbraw/zinc/01/11/77/612011177.db2.gz RLDBUZOAYCVAEW-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC000949517725 612018183 /nfs/dbraw/zinc/01/81/83/612018183.db2.gz AHKBHHZJOOKWAA-UHFFFAOYSA-N 1 1 334.420 0.922 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC000949517725 612018184 /nfs/dbraw/zinc/01/81/84/612018184.db2.gz AHKBHHZJOOKWAA-UHFFFAOYSA-N 1 1 334.420 0.922 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC000949528842 612022049 /nfs/dbraw/zinc/02/20/49/612022049.db2.gz BTZYYUYHVFOJHY-UHFFFAOYSA-N 1 1 346.431 0.997 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950476444 612034140 /nfs/dbraw/zinc/03/41/40/612034140.db2.gz ATIRTNNKFDXJTI-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(CC(=O)N(C)C2CC2)C1 ZINC000950533186 612057720 /nfs/dbraw/zinc/05/77/20/612057720.db2.gz CLMZWXKHRFLFOB-KRWDZBQOSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(CC(=O)N(C)C2CC2)C1 ZINC000950533186 612057721 /nfs/dbraw/zinc/05/77/21/612057721.db2.gz CLMZWXKHRFLFOB-KRWDZBQOSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ncoc2C)C1 ZINC000951223407 612087866 /nfs/dbraw/zinc/08/78/66/612087866.db2.gz HCZAXUZQYVGJNP-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ncoc2C)C1 ZINC000951223407 612087867 /nfs/dbraw/zinc/08/78/67/612087867.db2.gz HCZAXUZQYVGJNP-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cnco2)C1 ZINC000951223978 612088787 /nfs/dbraw/zinc/08/87/87/612088787.db2.gz VBVIBSQFNGRFSU-KGLIPLIRSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cnco2)C1 ZINC000951223978 612088788 /nfs/dbraw/zinc/08/87/88/612088788.db2.gz VBVIBSQFNGRFSU-KGLIPLIRSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000951224088 612088919 /nfs/dbraw/zinc/08/89/19/612088919.db2.gz XPWIVAWKNAVSCE-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000951224088 612088922 /nfs/dbraw/zinc/08/89/22/612088922.db2.gz XPWIVAWKNAVSCE-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)nc1 ZINC000951377544 612193958 /nfs/dbraw/zinc/19/39/58/612193958.db2.gz APOBNVMJRPVWSP-GDBMZVCRSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC000955117661 612278024 /nfs/dbraw/zinc/27/80/24/612278024.db2.gz FJAUXRHWPYZTSR-YJBOKZPZSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC000955117661 612278027 /nfs/dbraw/zinc/27/80/27/612278027.db2.gz FJAUXRHWPYZTSR-YJBOKZPZSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cncnc2C)C1 ZINC000953800941 612289195 /nfs/dbraw/zinc/28/91/95/612289195.db2.gz YEGULGJSPHRVEE-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cncnc2C)C1 ZINC000953800941 612289197 /nfs/dbraw/zinc/28/91/97/612289197.db2.gz YEGULGJSPHRVEE-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1[nH]cnc1CC ZINC000951539418 612322929 /nfs/dbraw/zinc/32/29/29/612322929.db2.gz XRCFWQFQIUMIPF-HIFRSBDPSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1[nH]cnc1CC ZINC000951539418 612322932 /nfs/dbraw/zinc/32/29/32/612322932.db2.gz XRCFWQFQIUMIPF-HIFRSBDPSA-N 1 1 343.431 0.400 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC000955340281 612462305 /nfs/dbraw/zinc/46/23/05/612462305.db2.gz JLVQMTUUELZZGU-ZDUSSCGKSA-N 1 1 346.435 0.089 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2scnc2C)C1 ZINC000954630371 612467019 /nfs/dbraw/zinc/46/70/19/612467019.db2.gz DBOUYHWTEDGGDO-AWEZNQCLSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2scnc2C)C1 ZINC000954630371 612467022 /nfs/dbraw/zinc/46/70/22/612467022.db2.gz DBOUYHWTEDGGDO-AWEZNQCLSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2cncs2)C1 ZINC000954630358 612467351 /nfs/dbraw/zinc/46/73/51/612467351.db2.gz CWAXSRBMYLVGOX-HNNXBMFYSA-N 1 1 346.456 0.452 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2cncs2)C1 ZINC000954630358 612467355 /nfs/dbraw/zinc/46/73/55/612467355.db2.gz CWAXSRBMYLVGOX-HNNXBMFYSA-N 1 1 346.456 0.452 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CCCO2)C1 ZINC000954630821 612467892 /nfs/dbraw/zinc/46/78/92/612467892.db2.gz KWZKKQNLFHJOQS-HOTGVXAUSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CCCO2)C1 ZINC000954630821 612467896 /nfs/dbraw/zinc/46/78/96/612467896.db2.gz KWZKKQNLFHJOQS-HOTGVXAUSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnc(C)cn2)C1 ZINC000954631177 612469266 /nfs/dbraw/zinc/46/92/66/612469266.db2.gz RHHIBAQECXDQHH-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnc(C)cn2)C1 ZINC000954631177 612469269 /nfs/dbraw/zinc/46/92/69/612469269.db2.gz RHHIBAQECXDQHH-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2onc(C)c2C)C1 ZINC000954631451 612470254 /nfs/dbraw/zinc/47/02/54/612470254.db2.gz XQQITERCQCPAPR-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2onc(C)c2C)C1 ZINC000954631451 612470257 /nfs/dbraw/zinc/47/02/57/612470257.db2.gz XQQITERCQCPAPR-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000955346760 612475354 /nfs/dbraw/zinc/47/53/54/612475354.db2.gz LBNAOTPOVAWTTK-BXUZGUMPSA-N 1 1 329.404 0.367 20 30 ECEDMO CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954636354 612476354 /nfs/dbraw/zinc/47/63/54/612476354.db2.gz KLMOXISIWJCHHF-ZIAGYGMSSA-N 1 1 338.371 0.696 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000955367635 612504841 /nfs/dbraw/zinc/50/48/41/612504841.db2.gz UWEIXLRJXAWACG-IKGGRYGDSA-N 1 1 345.443 0.344 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000955367635 612504845 /nfs/dbraw/zinc/50/48/45/612504845.db2.gz UWEIXLRJXAWACG-IKGGRYGDSA-N 1 1 345.443 0.344 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC000956073603 612677278 /nfs/dbraw/zinc/67/72/78/612677278.db2.gz LSNQQKXPRMQEPN-ZFWWWQNUSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC000956073603 612677280 /nfs/dbraw/zinc/67/72/80/612677280.db2.gz LSNQQKXPRMQEPN-ZFWWWQNUSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CCC(O)CC2)C1 ZINC000954177219 612739394 /nfs/dbraw/zinc/73/93/94/612739394.db2.gz QMWQEFDPOQUMMH-PREGVCBESA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CCC(O)CC2)C1 ZINC000954177219 612739395 /nfs/dbraw/zinc/73/93/95/612739395.db2.gz QMWQEFDPOQUMMH-PREGVCBESA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC000956194297 612772468 /nfs/dbraw/zinc/77/24/68/612772468.db2.gz KTPJWQQSARADJU-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC000956194297 612772471 /nfs/dbraw/zinc/77/24/71/612772471.db2.gz KTPJWQQSARADJU-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000954411736 612896976 /nfs/dbraw/zinc/89/69/76/612896976.db2.gz UVYRKYLYMCJBJY-TZMCWYRMSA-N 1 1 346.435 0.087 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cc(C)on2)C1 ZINC000956680554 612932298 /nfs/dbraw/zinc/93/22/98/612932298.db2.gz VXSFHBYHPUBXGQ-YJBOKZPZSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cc(C)on2)C1 ZINC000956680554 612932299 /nfs/dbraw/zinc/93/22/99/612932299.db2.gz VXSFHBYHPUBXGQ-YJBOKZPZSA-N 1 1 344.415 0.801 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001078035908 782187685 /nfs/dbraw/zinc/18/76/85/782187685.db2.gz XKGFNTJRPISYQS-KURKYZTESA-N 1 1 328.412 0.875 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001078035908 782187691 /nfs/dbraw/zinc/18/76/91/782187691.db2.gz XKGFNTJRPISYQS-KURKYZTESA-N 1 1 328.412 0.875 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3cncc(CC#N)n3)CC[C@@H]2C1 ZINC001164855417 720870015 /nfs/dbraw/zinc/87/00/15/720870015.db2.gz MDRSVDVIBBLVKN-ZBFHGGJFSA-N 1 1 331.420 0.716 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261991713 735301493 /nfs/dbraw/zinc/30/14/93/735301493.db2.gz RKPHBQFDPCQHGZ-GVDBMIGSSA-N 1 1 347.511 0.587 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)Nc2ncccc2C#N)C1 ZINC001098215773 735363468 /nfs/dbraw/zinc/36/34/68/735363468.db2.gz VXGBNJMCPCYTIB-HIFRSBDPSA-N 1 1 331.420 0.979 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN(C)CCN1C)N(C)CCC1CCOCC1 ZINC000262017655 735393475 /nfs/dbraw/zinc/39/34/75/735393475.db2.gz YBQCUVQGLDYJRH-INIZCTEOSA-N 1 1 325.501 0.556 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001098561855 735541999 /nfs/dbraw/zinc/54/19/99/735541999.db2.gz OLHSDUAIIVYNKZ-INIZCTEOSA-N 1 1 339.480 0.426 20 30 ECEDMO C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC001098561855 735542003 /nfs/dbraw/zinc/54/20/03/735542003.db2.gz OLHSDUAIIVYNKZ-INIZCTEOSA-N 1 1 339.480 0.426 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC001098561855 735542005 /nfs/dbraw/zinc/54/20/05/735542005.db2.gz OLHSDUAIIVYNKZ-INIZCTEOSA-N 1 1 339.480 0.426 20 30 ECEDMO Cc1nc(NC[C@H](C)N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001104538188 738447279 /nfs/dbraw/zinc/44/72/79/738447279.db2.gz LRRQHXAEIMTBOI-WFASDCNBSA-N 1 1 331.420 0.851 20 30 ECEDMO Cc1nc(NC[C@H](C)N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001104538188 738447281 /nfs/dbraw/zinc/44/72/81/738447281.db2.gz LRRQHXAEIMTBOI-WFASDCNBSA-N 1 1 331.420 0.851 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)c[nH]1 ZINC001087348926 738524291 /nfs/dbraw/zinc/52/42/91/738524291.db2.gz BRZARQURPHSIDK-QOWREQOWSA-N 1 1 327.388 0.154 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069974606 790266742 /nfs/dbraw/zinc/26/67/42/790266742.db2.gz HNUHGRDHOVKZQX-KFWWJZLASA-N 1 1 346.435 0.255 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069974606 790266746 /nfs/dbraw/zinc/26/67/46/790266746.db2.gz HNUHGRDHOVKZQX-KFWWJZLASA-N 1 1 346.435 0.255 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000969142055 731521934 /nfs/dbraw/zinc/52/19/34/731521934.db2.gz UEAPYVFKRCHFLO-CYBMUJFWSA-N 1 1 332.404 0.484 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 ZINC001125280395 731577403 /nfs/dbraw/zinc/57/74/03/731577403.db2.gz RIJCXCJNYVADRJ-HIFRSBDPSA-N 1 1 346.435 0.088 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)cn1 ZINC001041794918 782223938 /nfs/dbraw/zinc/22/39/38/782223938.db2.gz YAYVYPHROPCDIY-ACJLOTCBSA-N 1 1 326.400 0.475 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2cnc(OC)nc2)CC1 ZINC001098522179 731763649 /nfs/dbraw/zinc/76/36/49/731763649.db2.gz ADBCWLFMCPQBCQ-UHFFFAOYSA-N 1 1 334.420 0.960 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)[nH]1 ZINC001087351059 738535870 /nfs/dbraw/zinc/53/58/70/738535870.db2.gz LTNXWMZDHZVHIG-QJZXMWHDSA-N 1 1 327.388 0.154 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973010211 738537651 /nfs/dbraw/zinc/53/76/51/738537651.db2.gz MHCOYLFVCQLZTO-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973010211 738537652 /nfs/dbraw/zinc/53/76/52/738537652.db2.gz MHCOYLFVCQLZTO-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001041806167 782240041 /nfs/dbraw/zinc/24/00/41/782240041.db2.gz VGJCAUARBAGEQN-CVEARBPZSA-N 1 1 341.477 0.569 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC000969482278 731919712 /nfs/dbraw/zinc/91/97/12/731919712.db2.gz CTKJZVBOPNASFY-SWLSCSKDSA-N 1 1 344.415 0.624 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969514931 731935829 /nfs/dbraw/zinc/93/58/29/731935829.db2.gz WSSDCUKZIQEUDO-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1(C)C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973048519 738581537 /nfs/dbraw/zinc/58/15/37/738581537.db2.gz SLAUXCLVICYNEM-OLZOCXBDSA-N 1 1 343.387 0.132 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973048519 738581539 /nfs/dbraw/zinc/58/15/39/738581539.db2.gz SLAUXCLVICYNEM-OLZOCXBDSA-N 1 1 343.387 0.132 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973049213 738582694 /nfs/dbraw/zinc/58/26/94/738582694.db2.gz ZKPBJZDLNGCTKI-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973049213 738582697 /nfs/dbraw/zinc/58/26/97/738582697.db2.gz ZKPBJZDLNGCTKI-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cnsn2)C1 ZINC000969865220 732461429 /nfs/dbraw/zinc/46/14/29/732461429.db2.gz MKSINJIPZRMVLW-WFASDCNBSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cnsn2)C1 ZINC000969865220 732461430 /nfs/dbraw/zinc/46/14/30/732461430.db2.gz MKSINJIPZRMVLW-WFASDCNBSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC000969880144 732475418 /nfs/dbraw/zinc/47/54/18/732475418.db2.gz YVJZELWRGRHTON-NUEKZKHPSA-N 1 1 330.432 0.958 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2nccn3cc(C)nc23)CC1 ZINC001098526289 732497042 /nfs/dbraw/zinc/49/70/42/732497042.db2.gz GQFMIJDAMOEFJL-UHFFFAOYSA-N 1 1 341.415 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC000969910169 732505742 /nfs/dbraw/zinc/50/57/42/732505742.db2.gz DQZNMVFBGGQVTO-ZWNOBZJWSA-N 1 1 347.419 0.261 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC001098526820 732603173 /nfs/dbraw/zinc/60/31/73/732603173.db2.gz PUZKFZGRIHJOBX-AWEZNQCLSA-N 1 1 330.432 0.433 20 30 ECEDMO C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC001098526820 732603176 /nfs/dbraw/zinc/60/31/76/732603176.db2.gz PUZKFZGRIHJOBX-AWEZNQCLSA-N 1 1 330.432 0.433 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC001098526820 732603178 /nfs/dbraw/zinc/60/31/78/732603178.db2.gz PUZKFZGRIHJOBX-AWEZNQCLSA-N 1 1 330.432 0.433 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC001098526849 732612196 /nfs/dbraw/zinc/61/21/96/732612196.db2.gz QEIQRQPWLGJRRQ-AWEZNQCLSA-N 1 1 332.448 0.986 20 30 ECEDMO C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC001098526849 732612198 /nfs/dbraw/zinc/61/21/98/732612198.db2.gz QEIQRQPWLGJRRQ-AWEZNQCLSA-N 1 1 332.448 0.986 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC001098526849 732612200 /nfs/dbraw/zinc/61/22/00/732612200.db2.gz QEIQRQPWLGJRRQ-AWEZNQCLSA-N 1 1 332.448 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)C1 ZINC001041819673 782268343 /nfs/dbraw/zinc/26/83/43/782268343.db2.gz JBSYFOXUPQWUQV-GOSISDBHSA-N 1 1 336.399 0.834 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001025090697 738632485 /nfs/dbraw/zinc/63/24/85/738632485.db2.gz OTSFUCHQISCRCT-OAGGEKHMSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001041820990 782271039 /nfs/dbraw/zinc/27/10/39/782271039.db2.gz AYVMKHIFXGSUCO-QGZVFWFLSA-N 1 1 329.404 0.690 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001041824983 782280517 /nfs/dbraw/zinc/28/05/17/782280517.db2.gz ZPGJSZJSBHEHNJ-DYVFJYSZSA-N 1 1 334.420 0.475 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001039114802 732962225 /nfs/dbraw/zinc/96/22/25/732962225.db2.gz HGUCSBUUDCMIHR-IUODEOHRSA-N 1 1 343.431 0.934 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)COc3ccc(C(N)=O)cc3)C2)C1 ZINC001041837535 782314001 /nfs/dbraw/zinc/31/40/01/782314001.db2.gz JPIWRYTYJOUQTN-LJQANCHMSA-N 1 1 341.411 0.722 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC001098532849 733053374 /nfs/dbraw/zinc/05/33/74/733053374.db2.gz HJKARHKRKBAMON-UHFFFAOYSA-N 1 1 345.403 0.520 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CC1 ZINC001098532933 733054215 /nfs/dbraw/zinc/05/42/15/733054215.db2.gz KYJIRJUUUPWCHQ-CQSZACIVSA-N 1 1 340.468 0.541 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3COCCN3C)CC2)C1 ZINC001039129249 733056189 /nfs/dbraw/zinc/05/61/89/733056189.db2.gz JGLRYSFCZQTBOI-ZWKOTPCHSA-N 1 1 333.476 0.901 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000970242158 733258169 /nfs/dbraw/zinc/25/81/69/733258169.db2.gz UVSCQXDYMIQXGN-KBMXLJTQSA-N 1 1 333.436 0.970 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCN(C)C3=O)C2)cc1 ZINC000970258889 733266957 /nfs/dbraw/zinc/26/69/57/733266957.db2.gz CNDWKQAKXCWTPY-CXAGYDPISA-N 1 1 325.412 0.949 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC000970301338 733335701 /nfs/dbraw/zinc/33/57/01/733335701.db2.gz VGDIRTHVTZEPKL-VMMWWAARSA-N 1 1 333.432 0.102 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1ccc(C#N)nn1 ZINC001104253136 733368052 /nfs/dbraw/zinc/36/80/52/733368052.db2.gz GJAJGWGQWUHBEL-ZFWWWQNUSA-N 1 1 326.404 0.610 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1ccc(C#N)nn1 ZINC001104253136 733368060 /nfs/dbraw/zinc/36/80/60/733368060.db2.gz GJAJGWGQWUHBEL-ZFWWWQNUSA-N 1 1 326.404 0.610 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC001098536903 733484652 /nfs/dbraw/zinc/48/46/52/733484652.db2.gz SPNYJXRMKKMSNY-UHFFFAOYSA-N 1 1 333.432 0.860 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970430696 733522064 /nfs/dbraw/zinc/52/20/64/733522064.db2.gz GHLRFBMKWPLLFZ-LYRGGWFBSA-N 1 1 326.400 0.616 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC000970447051 733544345 /nfs/dbraw/zinc/54/43/45/733544345.db2.gz IOEWGYXIJYBGJC-CYBMUJFWSA-N 1 1 342.403 0.779 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC000970544443 733661440 /nfs/dbraw/zinc/66/14/40/733661440.db2.gz MSOUBSXYOARSLS-IUODEOHRSA-N 1 1 346.435 0.135 20 30 ECEDMO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC001167318081 733686332 /nfs/dbraw/zinc/68/63/32/733686332.db2.gz CZSSTZOJQDHPOW-GXTWGEPZSA-N 1 1 342.399 0.902 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC000970754014 733910849 /nfs/dbraw/zinc/91/08/49/733910849.db2.gz OIRQDGJTHXYVLD-STQMWFEESA-N 1 1 340.427 0.780 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C)on3)C2)C1=O ZINC000971035627 734195925 /nfs/dbraw/zinc/19/59/25/734195925.db2.gz VDIAMDDIRYXSSE-UKRRQHHQSA-N 1 1 332.404 0.916 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ccnc3C(C)C)[C@H]2C1 ZINC001083210441 734197141 /nfs/dbraw/zinc/19/71/41/734197141.db2.gz CCACIPSOENHSMS-JKSUJKDBSA-N 1 1 330.432 0.941 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CNc3cnc(C#N)cn3)CC2)C1 ZINC001067476932 734203335 /nfs/dbraw/zinc/20/33/35/734203335.db2.gz KAOYEFDJBPSNBM-CYBMUJFWSA-N 1 1 344.419 0.065 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001078161501 782406350 /nfs/dbraw/zinc/40/63/50/782406350.db2.gz WOTCAIISYQLXGI-USXIJHARSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001078159519 782400943 /nfs/dbraw/zinc/40/09/43/782400943.db2.gz SJQRAWMUWALKAB-HUUCEWRRSA-N 1 1 332.404 0.918 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(c3ncccc3C#N)CCO2)C1 ZINC001104321384 734295556 /nfs/dbraw/zinc/29/55/56/734295556.db2.gz CWUVBXACWFNMBR-HOCLYGCPSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(c3ccnc(C#N)n3)CCO2)C1 ZINC001104322098 734299664 /nfs/dbraw/zinc/29/96/64/734299664.db2.gz VNPLOSVZXLNLGE-KBPBESRZSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2cnnn2)C1 ZINC001078163297 782408112 /nfs/dbraw/zinc/40/81/12/782408112.db2.gz GKHGBARNFZRAQR-UKRRQHHQSA-N 1 1 328.376 0.013 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cncc(N4CCCC4)n3)[C@H]2C1 ZINC001083215227 734419815 /nfs/dbraw/zinc/41/98/15/734419815.db2.gz NAFVDBCVMMHLDO-JKSUJKDBSA-N 1 1 343.431 0.788 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cncc(N4CCCC4)n3)[C@H]2C1 ZINC001083215227 734419820 /nfs/dbraw/zinc/41/98/20/734419820.db2.gz NAFVDBCVMMHLDO-JKSUJKDBSA-N 1 1 343.431 0.788 20 30 ECEDMO C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971289307 734422298 /nfs/dbraw/zinc/42/22/98/734422298.db2.gz ROSUGOUXIOWUSZ-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@@H+](CCN1CCCC1=O)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971290155 734423399 /nfs/dbraw/zinc/42/33/99/734423399.db2.gz YNAWZUMTQLVCCJ-AWEZNQCLSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971373106 734484139 /nfs/dbraw/zinc/48/41/39/734484139.db2.gz AJJNHWZRNPUEST-OAHLLOKOSA-N 1 1 340.387 0.588 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971373622 734484658 /nfs/dbraw/zinc/48/46/58/734484658.db2.gz IWWFIDWIVIRMCO-OAHLLOKOSA-N 1 1 340.387 0.588 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973141060 738818861 /nfs/dbraw/zinc/81/88/61/738818861.db2.gz FYZRMJQDMJUEQQ-PYJNHQTQSA-N 1 1 329.404 0.461 20 30 ECEDMO C[N@@H+](CCN1CCCC1=O)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971377409 734485479 /nfs/dbraw/zinc/48/54/79/734485479.db2.gz ZHBGTCDNGHSWNA-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](C[C@@H]1CCc2ncnn21)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971375460 734487539 /nfs/dbraw/zinc/48/75/39/734487539.db2.gz AETXWMVBCYXDGC-CABCVRRESA-N 1 1 339.403 0.812 20 30 ECEDMO CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000971377150 734488734 /nfs/dbraw/zinc/48/87/34/734488734.db2.gz UNOOSLDCDKGIIH-GJZGRUSLSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)C3=CCOCC3)C2)C1=O ZINC000971388089 734498279 /nfs/dbraw/zinc/49/82/79/734498279.db2.gz IWPGFUMEFUWYRT-JKSUJKDBSA-N 1 1 333.432 0.653 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 ZINC001104350286 734525206 /nfs/dbraw/zinc/52/52/06/734525206.db2.gz SPMZGOUTDQVVJQ-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971452735 734612867 /nfs/dbraw/zinc/61/28/67/734612867.db2.gz VHLSZDOPJWVKMQ-UKRRQHHQSA-N 1 1 346.362 0.838 20 30 ECEDMO C[N@@H+](Cc1cc(=O)n2nccc2[nH]1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971509903 734699703 /nfs/dbraw/zinc/69/97/03/734699703.db2.gz WTKSBGSMMHHNCF-HNNXBMFYSA-N 1 1 339.399 0.469 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000971525438 734712413 /nfs/dbraw/zinc/71/24/13/734712413.db2.gz PBYVPQCDNOKHPQ-UONOGXRCSA-N 1 1 331.420 0.871 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC000971557006 734747368 /nfs/dbraw/zinc/74/73/68/734747368.db2.gz XQGXMWPLSACYOX-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC000971557006 734747371 /nfs/dbraw/zinc/74/73/71/734747371.db2.gz XQGXMWPLSACYOX-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2csnn2)C1 ZINC000971703982 734965401 /nfs/dbraw/zinc/96/54/01/734965401.db2.gz OKZXOHVLSQEAAK-CABCVRRESA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2csnn2)C1 ZINC000971703982 734965403 /nfs/dbraw/zinc/96/54/03/734965403.db2.gz OKZXOHVLSQEAAK-CABCVRRESA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ncnn2CC)C1 ZINC000971703975 734965506 /nfs/dbraw/zinc/96/55/06/734965506.db2.gz ODGZKWRUQYSKSF-HOTGVXAUSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ncnn2CC)C1 ZINC000971703975 734965509 /nfs/dbraw/zinc/96/55/09/734965509.db2.gz ODGZKWRUQYSKSF-HOTGVXAUSA-N 1 1 344.463 0.428 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)CNC(=O)c2ccco2)CC1 ZINC001098555835 734967843 /nfs/dbraw/zinc/96/78/43/734967843.db2.gz PZUCLNFWVGAYLV-UHFFFAOYSA-N 1 1 349.431 0.871 20 30 ECEDMO C=C(C)CC[N@H+](CCO)C1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC001098555990 735011168 /nfs/dbraw/zinc/01/11/68/735011168.db2.gz ZKBMMKCYBVAKEP-UHFFFAOYSA-N 1 1 348.447 0.645 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(Nc3ccncc3C#N)CCCC2)C1 ZINC001104379397 735055967 /nfs/dbraw/zinc/05/59/67/735055967.db2.gz QHGPLBGSNBDPOA-INIZCTEOSA-N 1 1 343.431 0.547 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(Nc3ccncc3C#N)CCCC2)C1 ZINC001104379397 735055969 /nfs/dbraw/zinc/05/59/69/735055969.db2.gz QHGPLBGSNBDPOA-INIZCTEOSA-N 1 1 343.431 0.547 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001039452817 735129813 /nfs/dbraw/zinc/12/98/13/735129813.db2.gz QLDOINDCAXVCLS-RDBSUJKOSA-N 1 1 327.450 0.272 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001039452817 735129817 /nfs/dbraw/zinc/12/98/17/735129817.db2.gz QLDOINDCAXVCLS-RDBSUJKOSA-N 1 1 327.450 0.272 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3c[nH]nc3CC)C2)C1=O ZINC000971849642 735234581 /nfs/dbraw/zinc/23/45/81/735234581.db2.gz ZWSVLZMCICEWBI-CJNGLKHVSA-N 1 1 345.447 0.905 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000987928570 751344397 /nfs/dbraw/zinc/34/43/97/751344397.db2.gz VVMNHPKMJBFTCR-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000972072642 735612612 /nfs/dbraw/zinc/61/26/12/735612612.db2.gz BYILAQOXHBUPPE-IXDOHACOSA-N 1 1 329.444 0.943 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972078336 735618173 /nfs/dbraw/zinc/61/81/73/735618173.db2.gz FXKYGGUXKVCBDL-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC000972089003 735630427 /nfs/dbraw/zinc/63/04/27/735630427.db2.gz TYXGYKKFMYHJOV-BRWVUGGUSA-N 1 1 345.443 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC000972089003 735630430 /nfs/dbraw/zinc/63/04/30/735630430.db2.gz TYXGYKKFMYHJOV-BRWVUGGUSA-N 1 1 345.443 0.180 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)[C@@H](n2ccnn2)C1 ZINC001069988538 790282368 /nfs/dbraw/zinc/28/23/68/790282368.db2.gz XZXPPYQIVJSKFO-KFWWJZLASA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)[C@@H](n2ccnn2)C1 ZINC001069988538 790282374 /nfs/dbraw/zinc/28/23/74/790282374.db2.gz XZXPPYQIVJSKFO-KFWWJZLASA-N 1 1 346.435 0.112 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069990485 790285681 /nfs/dbraw/zinc/28/56/81/790285681.db2.gz QDMIGFFNUWOEHF-CVEARBPZSA-N 1 1 343.435 0.399 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069990485 790285686 /nfs/dbraw/zinc/28/56/86/790285686.db2.gz QDMIGFFNUWOEHF-CVEARBPZSA-N 1 1 343.435 0.399 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972198152 735776103 /nfs/dbraw/zinc/77/61/03/735776103.db2.gz GNJIMYVXGGEOTI-GXFFZTMASA-N 1 1 333.417 0.334 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2cncc(C(N)=O)c2)CC1 ZINC001098566674 735852985 /nfs/dbraw/zinc/85/29/85/735852985.db2.gz HZYMFFCBVOXLMB-UHFFFAOYSA-N 1 1 332.404 0.265 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3n[nH]cc3F)C2)C1=O ZINC000972271643 735870074 /nfs/dbraw/zinc/87/00/74/735870074.db2.gz LPNDJWJKJDLCNZ-WCQYABFASA-N 1 1 335.383 0.482 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCO[C@@]3(CCN(C(=O)CC(N)=O)C3)C2)c1 ZINC000972303137 735916368 /nfs/dbraw/zinc/91/63/68/735916368.db2.gz FLNIBPAUOOALAE-SFHVURJKSA-N 1 1 342.399 0.237 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCO[C@@]3(CCN(C(=O)CC(N)=O)C3)C2)c1 ZINC000972303137 735916370 /nfs/dbraw/zinc/91/63/70/735916370.db2.gz FLNIBPAUOOALAE-SFHVURJKSA-N 1 1 342.399 0.237 20 30 ECEDMO COC[C@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972319500 735939920 /nfs/dbraw/zinc/93/99/20/735939920.db2.gz LILKMCJYCFHBFF-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972319500 735939923 /nfs/dbraw/zinc/93/99/23/735939923.db2.gz LILKMCJYCFHBFF-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972340276 735971522 /nfs/dbraw/zinc/97/15/22/735971522.db2.gz VWMKYAUPSKEAFA-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972340276 735971525 /nfs/dbraw/zinc/97/15/25/735971525.db2.gz VWMKYAUPSKEAFA-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380420 736049245 /nfs/dbraw/zinc/04/92/45/736049245.db2.gz HKPAUTDNJBXHQI-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380420 736049247 /nfs/dbraw/zinc/04/92/47/736049247.db2.gz HKPAUTDNJBXHQI-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCOC ZINC001111490848 736111999 /nfs/dbraw/zinc/11/19/99/736111999.db2.gz CMHUKDLZGXXBRT-JJXSEGSLSA-N 1 1 326.437 0.962 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ccn(C)n3)C2)C1 ZINC000972402022 736125275 /nfs/dbraw/zinc/12/52/75/736125275.db2.gz LEIALZSNHYEDCR-GOSISDBHSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ccn(C)n3)C2)C1 ZINC000972402022 736125277 /nfs/dbraw/zinc/12/52/77/736125277.db2.gz LEIALZSNHYEDCR-GOSISDBHSA-N 1 1 330.432 0.679 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CN(CC#N)CCO3)C1 ZINC000972406721 736134040 /nfs/dbraw/zinc/13/40/40/736134040.db2.gz AWGKVCPZYVIUMK-AEFFLSMTSA-N 1 1 334.464 0.791 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 ZINC000972407668 736137023 /nfs/dbraw/zinc/13/70/23/736137023.db2.gz GAVMRIASGYRLJT-YJBOKZPZSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972409421 736141996 /nfs/dbraw/zinc/14/19/96/736141996.db2.gz OIAGIOLHDLWRGD-GOSISDBHSA-N 1 1 333.432 0.973 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972409421 736142000 /nfs/dbraw/zinc/14/20/00/736142000.db2.gz OIAGIOLHDLWRGD-GOSISDBHSA-N 1 1 333.432 0.973 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972411247 736149021 /nfs/dbraw/zinc/14/90/21/736149021.db2.gz ZVICGRFGGYFTCV-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972424204 736170910 /nfs/dbraw/zinc/17/09/10/736170910.db2.gz ZSYFWUPTVQNOHD-SFHVURJKSA-N 1 1 344.415 0.354 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972424204 736170914 /nfs/dbraw/zinc/17/09/14/736170914.db2.gz ZSYFWUPTVQNOHD-SFHVURJKSA-N 1 1 344.415 0.354 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972431898 736181802 /nfs/dbraw/zinc/18/18/02/736181802.db2.gz WNGSJCKHCVIAMV-QZTJIDSGSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC000972437243 736195411 /nfs/dbraw/zinc/19/54/11/736195411.db2.gz ACRLFBBXWXVHKO-QFBILLFUSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC000972437243 736195415 /nfs/dbraw/zinc/19/54/15/736195415.db2.gz ACRLFBBXWXVHKO-QFBILLFUSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4cncc4C3)C2)C1 ZINC000972438701 736196110 /nfs/dbraw/zinc/19/61/10/736196110.db2.gz SYJPZFNYCXVJNJ-APWZRJJASA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4cncc4C3)C2)C1 ZINC000972438701 736196113 /nfs/dbraw/zinc/19/61/13/736196113.db2.gz SYJPZFNYCXVJNJ-APWZRJJASA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)C1 ZINC000972440796 736199838 /nfs/dbraw/zinc/19/98/38/736199838.db2.gz LIBKHSWBEKBOKW-APWZRJJASA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)C1 ZINC000972440796 736199842 /nfs/dbraw/zinc/19/98/42/736199842.db2.gz LIBKHSWBEKBOKW-APWZRJJASA-N 1 1 342.443 0.772 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3nccc3C)C2)C1=O ZINC000972444965 736214838 /nfs/dbraw/zinc/21/48/38/736214838.db2.gz HSEOIAIEBQEKIH-CVEARBPZSA-N 1 1 345.447 0.511 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC000972459703 736254397 /nfs/dbraw/zinc/25/43/97/736254397.db2.gz ZWRVYGBXWJVGHH-KRWDZBQOSA-N 1 1 342.403 0.846 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC000972459703 736254402 /nfs/dbraw/zinc/25/44/02/736254402.db2.gz ZWRVYGBXWJVGHH-KRWDZBQOSA-N 1 1 342.403 0.846 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972494054 736390735 /nfs/dbraw/zinc/39/07/35/736390735.db2.gz NSFIOFKNFNVNFG-KRWDZBQOSA-N 1 1 342.403 0.617 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972494307 736393328 /nfs/dbraw/zinc/39/33/28/736393328.db2.gz PSTMAZHVCPCGKI-KRWDZBQOSA-N 1 1 340.387 0.065 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972494307 736393331 /nfs/dbraw/zinc/39/33/31/736393331.db2.gz PSTMAZHVCPCGKI-KRWDZBQOSA-N 1 1 340.387 0.065 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000981966665 751370886 /nfs/dbraw/zinc/37/08/86/751370886.db2.gz APTJOVVCFWITHT-OAHLLOKOSA-N 1 1 341.459 0.868 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nc[nH]c3=O)C2)C1 ZINC000972510878 736490934 /nfs/dbraw/zinc/49/09/34/736490934.db2.gz FTRQUVSAKGJDRH-QGZVFWFLSA-N 1 1 332.404 0.984 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023298456 736660946 /nfs/dbraw/zinc/66/09/46/736660946.db2.gz WTDQKKFCLHJDJG-CHWSQXEVSA-N 1 1 331.420 0.805 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)[nH]1 ZINC001023308119 736666411 /nfs/dbraw/zinc/66/64/11/736666411.db2.gz NIVYVCPITZCDLG-CQSZACIVSA-N 1 1 343.431 0.951 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023365685 736739645 /nfs/dbraw/zinc/73/96/45/736739645.db2.gz JAOILBQLYQYUOP-LSDHHAIUSA-N 1 1 343.431 0.614 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)COCC=C)C1 ZINC001059846955 751377043 /nfs/dbraw/zinc/37/70/43/751377043.db2.gz IVDZELMKHFTBDP-IRXDYDNUSA-N 1 1 347.459 0.641 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)COCC=C)C1 ZINC001059846955 751377047 /nfs/dbraw/zinc/37/70/47/751377047.db2.gz IVDZELMKHFTBDP-IRXDYDNUSA-N 1 1 347.459 0.641 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)C1 ZINC000972564845 736817799 /nfs/dbraw/zinc/81/77/99/736817799.db2.gz MVQNPUYDFSNMRJ-SCTDSRPQSA-N 1 1 342.443 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)C1 ZINC000972564845 736817803 /nfs/dbraw/zinc/81/78/03/736817803.db2.gz MVQNPUYDFSNMRJ-SCTDSRPQSA-N 1 1 342.443 0.850 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3c[nH]nc3C)C2)C1=O ZINC001023522204 736951390 /nfs/dbraw/zinc/95/13/90/736951390.db2.gz WCZLKQMJKSPOKW-GOEBONIOSA-N 1 1 345.447 0.947 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC001023599181 737057980 /nfs/dbraw/zinc/05/79/80/737057980.db2.gz CFNNBQHCAZVBIS-BMFZPTHFSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC001023599181 737057982 /nfs/dbraw/zinc/05/79/82/737057982.db2.gz CFNNBQHCAZVBIS-BMFZPTHFSA-N 1 1 333.436 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001023637175 737123489 /nfs/dbraw/zinc/12/34/89/737123489.db2.gz GEARLPFROLIDDY-JTQLQIEISA-N 1 1 329.326 0.909 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001023637474 737123784 /nfs/dbraw/zinc/12/37/84/737123784.db2.gz MLPBOFXIPRFKAP-UKRRQHHQSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001023638142 737125297 /nfs/dbraw/zinc/12/52/97/737125297.db2.gz YEBHXLDUTIALLQ-UONOGXRCSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001023640107 737126019 /nfs/dbraw/zinc/12/60/19/737126019.db2.gz WJGQMVBSDQUQLB-KBPBESRZSA-N 1 1 348.451 0.431 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3nnc[nH]3)C2)C1=O ZINC001023655589 737155107 /nfs/dbraw/zinc/15/51/07/737155107.db2.gz KXFDSQOOEYHYLI-CHWSQXEVSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](CNC(=O)c3ncn[nH]3)C2)C1=O ZINC001023655589 737155109 /nfs/dbraw/zinc/15/51/09/737155109.db2.gz KXFDSQOOEYHYLI-CHWSQXEVSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3ncn[nH]3)C2)C1=O ZINC001023655589 737155110 /nfs/dbraw/zinc/15/51/10/737155110.db2.gz KXFDSQOOEYHYLI-CHWSQXEVSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3ncccn3)C2)C1=O ZINC001023662506 737160302 /nfs/dbraw/zinc/16/03/02/737160302.db2.gz MRSSBGTTYGEDII-LSDHHAIUSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972639053 737202389 /nfs/dbraw/zinc/20/23/89/737202389.db2.gz OZFCOQUFHFUIOZ-KDOFPFPSSA-N 1 1 345.447 0.789 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)C1 ZINC000972641817 737206673 /nfs/dbraw/zinc/20/66/73/737206673.db2.gz YBLBAJORVOAEBR-SFHVURJKSA-N 1 1 345.399 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)C1 ZINC000972641817 737206675 /nfs/dbraw/zinc/20/66/75/737206675.db2.gz YBLBAJORVOAEBR-SFHVURJKSA-N 1 1 345.399 0.736 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972642234 737214222 /nfs/dbraw/zinc/21/42/22/737214222.db2.gz FKNMLKZYQORXGL-SFHVURJKSA-N 1 1 329.400 0.326 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972642234 737214226 /nfs/dbraw/zinc/21/42/26/737214226.db2.gz FKNMLKZYQORXGL-SFHVURJKSA-N 1 1 329.400 0.326 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC001023708320 737226820 /nfs/dbraw/zinc/22/68/20/737226820.db2.gz AQYVPHIDMBDPQN-GOEBONIOSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnnn3C)C2)nc1 ZINC001023708912 737227099 /nfs/dbraw/zinc/22/70/99/737227099.db2.gz MVPRZEHRFWAGFV-OAHLLOKOSA-N 1 1 338.415 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnnn3C)C2)nc1 ZINC001023708912 737227104 /nfs/dbraw/zinc/22/71/04/737227104.db2.gz MVPRZEHRFWAGFV-OAHLLOKOSA-N 1 1 338.415 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)nc1 ZINC001023709681 737228015 /nfs/dbraw/zinc/22/80/15/737228015.db2.gz ZBPWVCYSVMIUEJ-GOEBONIOSA-N 1 1 328.416 0.769 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001023734518 737264178 /nfs/dbraw/zinc/26/41/78/737264178.db2.gz CQHFKIMRGJOMAD-CQSZACIVSA-N 1 1 326.404 0.816 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972658385 737267706 /nfs/dbraw/zinc/26/77/06/737267706.db2.gz FHIDSGQREXOMEO-QAPCUYQASA-N 1 1 335.448 0.877 20 30 ECEDMO C[NH+]=C(NCCN1CCSCC1)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000262764586 737304417 /nfs/dbraw/zinc/30/44/17/737304417.db2.gz FQFPJIUCXHXIBI-ZIAGYGMSSA-N 1 1 325.526 0.825 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)c3)C2)C1 ZINC000972685395 737376841 /nfs/dbraw/zinc/37/68/41/737376841.db2.gz PQTPHUKZCRRRMV-GOSISDBHSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)c3)C2)C1 ZINC000972685395 737376846 /nfs/dbraw/zinc/37/68/46/737376846.db2.gz PQTPHUKZCRRRMV-GOSISDBHSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)c3)C2)C1 ZINC000972685396 737377108 /nfs/dbraw/zinc/37/71/08/737377108.db2.gz PQTPHUKZCRRRMV-SFHVURJKSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)c3)C2)C1 ZINC000972685396 737377115 /nfs/dbraw/zinc/37/71/15/737377115.db2.gz PQTPHUKZCRRRMV-SFHVURJKSA-N 1 1 330.432 0.679 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972699540 737442716 /nfs/dbraw/zinc/44/27/16/737442716.db2.gz GLTXFBGCMVUCIC-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972699540 737442717 /nfs/dbraw/zinc/44/27/17/737442717.db2.gz GLTXFBGCMVUCIC-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2n2ccnn2)cc1 ZINC001069993981 790288885 /nfs/dbraw/zinc/28/88/85/790288885.db2.gz YNOCPLLWHQGLLH-XYPHTWIQSA-N 1 1 339.399 0.296 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 ZINC001098583981 737625109 /nfs/dbraw/zinc/62/51/09/737625109.db2.gz IFSTVHNIGWSBQB-UHFFFAOYSA-N 1 1 346.431 0.656 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)CCc2cn(C)nn2)CC1 ZINC001098584085 737656366 /nfs/dbraw/zinc/65/63/66/737656366.db2.gz LJGOVZZIMZKSGA-UHFFFAOYSA-N 1 1 335.452 0.609 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnccn2)C1=O ZINC001024310100 737894343 /nfs/dbraw/zinc/89/43/43/737894343.db2.gz HCVMUAXGCCGOLA-GDBMZVCRSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnccn2)C1=O ZINC001024310100 737894348 /nfs/dbraw/zinc/89/43/48/737894348.db2.gz HCVMUAXGCCGOLA-GDBMZVCRSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1cn(C)nn1 ZINC001024486837 738013991 /nfs/dbraw/zinc/01/39/91/738013991.db2.gz JNHHEMUHHNJYAU-IRXDYDNUSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1cn(C)nn1 ZINC001024486837 738013993 /nfs/dbraw/zinc/01/39/93/738013993.db2.gz JNHHEMUHHNJYAU-IRXDYDNUSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CS(=O)(=O)C1 ZINC001087288053 738119686 /nfs/dbraw/zinc/11/96/86/738119686.db2.gz QRRIXLKLQSBPOU-QLFBSQMISA-N 1 1 338.473 0.660 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CC[C@]2(C)CCC(=O)N2)CC1 ZINC001098588409 738123994 /nfs/dbraw/zinc/12/39/94/738123994.db2.gz LBGGXKVMHCNMKU-IBGZPJMESA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc(=O)n(C)cn3)C(C)(C)[C@H]21 ZINC001087291047 738131874 /nfs/dbraw/zinc/13/18/74/738131874.db2.gz NGRQLOVVMUVIKE-WQVCFCJDSA-N 1 1 328.416 0.632 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001024703741 738235402 /nfs/dbraw/zinc/23/54/02/738235402.db2.gz PHVFBBXMAHPYMR-ZIAGYGMSSA-N 1 1 332.404 0.236 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001024746960 738268024 /nfs/dbraw/zinc/26/80/24/738268024.db2.gz KBYBTNDEZHTHQZ-LSDHHAIUSA-N 1 1 331.420 0.847 20 30 ECEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001024758981 738274478 /nfs/dbraw/zinc/27/44/78/738274478.db2.gz COSNHARTCRCTML-LBPRGKRZSA-N 1 1 330.392 0.578 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N2CCC2)cn1 ZINC001024769733 738277381 /nfs/dbraw/zinc/27/73/81/738277381.db2.gz LRXAWXFMPQLPLE-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N2CCC2)cn1 ZINC001024769733 738277384 /nfs/dbraw/zinc/27/73/84/738277384.db2.gz LRXAWXFMPQLPLE-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCn2cncn2)nc1 ZINC001024769620 738277626 /nfs/dbraw/zinc/27/76/26/738277626.db2.gz JYCALRKSWLVUOM-INIZCTEOSA-N 1 1 338.415 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3C(=O)CN(C)C3=O)C(C)(C)[C@H]21 ZINC001087317046 738282503 /nfs/dbraw/zinc/28/25/03/738282503.db2.gz BOBVIAQADNJNGM-KCXAZCMYSA-N 1 1 346.431 0.119 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@H]21 ZINC001087317166 738282893 /nfs/dbraw/zinc/28/28/93/738282893.db2.gz DPJKXKHVBCPHFX-KCXAZCMYSA-N 1 1 348.447 0.720 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2cncc(C#N)n2)C1 ZINC001104578739 739002013 /nfs/dbraw/zinc/00/20/13/739002013.db2.gz CSTDMLBQVVATRX-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2cncc(C#N)n2)C1 ZINC001104578739 739002017 /nfs/dbraw/zinc/00/20/17/739002017.db2.gz CSTDMLBQVVATRX-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001025290064 739010941 /nfs/dbraw/zinc/01/09/41/739010941.db2.gz XOEQLCGJMHEURG-HUUCEWRRSA-N 1 1 346.431 0.359 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc(=O)n(C)n1 ZINC001025294485 739014373 /nfs/dbraw/zinc/01/43/73/739014373.db2.gz BKCYJMYVJKRUBC-HOTGVXAUSA-N 1 1 328.416 0.873 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000973327337 739100015 /nfs/dbraw/zinc/10/00/15/739100015.db2.gz CBDLECMWEKFGFH-BASLNEPJSA-N 1 1 340.427 0.780 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104590128 739145921 /nfs/dbraw/zinc/14/59/21/739145921.db2.gz LSGHZCSRNWLFRF-UONOGXRCSA-N 1 1 330.436 0.903 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cnn(C)c2)nn1 ZINC001028187804 751419762 /nfs/dbraw/zinc/41/97/62/751419762.db2.gz OEDMANMUDGBNPG-AWEZNQCLSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)nn1 ZINC001028187804 751419764 /nfs/dbraw/zinc/41/97/64/751419764.db2.gz OEDMANMUDGBNPG-AWEZNQCLSA-N 1 1 329.408 0.592 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC000973410767 739224099 /nfs/dbraw/zinc/22/40/99/739224099.db2.gz OBTQIOQLUVUIPF-ULQDDVLXSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC000973410767 739224101 /nfs/dbraw/zinc/22/41/01/739224101.db2.gz OBTQIOQLUVUIPF-ULQDDVLXSA-N 1 1 340.427 0.865 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC000973607679 739578843 /nfs/dbraw/zinc/57/88/43/739578843.db2.gz BIZVCSZUEWSWEQ-PRTUASRFSA-N 1 1 329.404 0.989 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3nnnn3c2)C1 ZINC001025491687 739655137 /nfs/dbraw/zinc/65/51/37/739655137.db2.gz XWFLPKCTBASZOZ-KGLIPLIRSA-N 1 1 326.404 0.978 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2O)C1 ZINC001025542706 739703235 /nfs/dbraw/zinc/70/32/35/739703235.db2.gz XFZCQRVTIAKQBM-RBSFLKMASA-N 1 1 335.448 0.515 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001025629470 739793927 /nfs/dbraw/zinc/79/39/27/739793927.db2.gz HBFJZQMXAXSXKH-KGLIPLIRSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC000982028469 751494579 /nfs/dbraw/zinc/49/45/79/751494579.db2.gz AODGWAVOOUILSG-CQSZACIVSA-N 1 1 328.420 0.183 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001025791552 739954821 /nfs/dbraw/zinc/95/48/21/739954821.db2.gz YIFCPJFOTOMTSE-XBORSJSESA-N 1 1 335.448 0.491 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2OCC[C@H]2CC)C1=O ZINC001025814830 739998049 /nfs/dbraw/zinc/99/80/49/739998049.db2.gz ORIZRPPWNPPQFF-JHMPBIJASA-N 1 1 347.459 0.635 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001070003598 790301182 /nfs/dbraw/zinc/30/11/82/790301182.db2.gz WTOFRFSOCHFRMT-KEYYUXOJSA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001070003598 790301189 /nfs/dbraw/zinc/30/11/89/790301189.db2.gz WTOFRFSOCHFRMT-KEYYUXOJSA-N 1 1 346.435 0.112 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070006975 790307912 /nfs/dbraw/zinc/30/79/12/790307912.db2.gz RQRNBANBJHCQMF-IMJJTQAJSA-N 1 1 339.403 0.237 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070008224 790310721 /nfs/dbraw/zinc/31/07/21/790310721.db2.gz XEDSAWIYFUJWLS-CVEARBPZSA-N 1 1 342.378 0.420 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001068463970 790319346 /nfs/dbraw/zinc/31/93/46/790319346.db2.gz SEYPQYZPTIMAPY-HOTGVXAUSA-N 1 1 349.475 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)nc1 ZINC000988092906 751522729 /nfs/dbraw/zinc/52/27/29/751522729.db2.gz VALOFRXNMQSCJG-KBMXLJTQSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)Cc2cnn(C)c2)CC1 ZINC001098516293 751525896 /nfs/dbraw/zinc/52/58/96/751525896.db2.gz SINZNMNUOKYQMY-HNNXBMFYSA-N 1 1 332.448 0.517 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(Nc3nccnc3C#N)CCC2)C1 ZINC001111777811 740263751 /nfs/dbraw/zinc/26/37/51/740263751.db2.gz SVWOYPITSWHCEO-CYBMUJFWSA-N 1 1 330.392 0.130 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(Nc3nccnc3C#N)CCC2)C1 ZINC001111777811 740263755 /nfs/dbraw/zinc/26/37/55/740263755.db2.gz SVWOYPITSWHCEO-CYBMUJFWSA-N 1 1 330.392 0.130 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CC[C@@H](C)O4)C[C@H]32)nn1 ZINC001026094207 740369913 /nfs/dbraw/zinc/36/99/13/740369913.db2.gz UTZHQNYHZNQNSH-AQRJEWBLSA-N 1 1 331.420 0.692 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CC[C@H](C)O4)C[C@H]32)nn1 ZINC001026094210 740370006 /nfs/dbraw/zinc/37/00/06/740370006.db2.gz UTZHQNYHZNQNSH-OJKRMQCYSA-N 1 1 331.420 0.692 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001026101757 740376863 /nfs/dbraw/zinc/37/68/63/740376863.db2.gz FPNCFFMVFYDYHD-PFHJDOJBSA-N 1 1 347.459 0.635 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@]2(C)CCOC2)C1=O ZINC001026124208 740393039 /nfs/dbraw/zinc/39/30/39/740393039.db2.gz WWWNNPJDDGMPTQ-KCTHJMFYSA-N 1 1 333.432 0.246 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC000982067673 751547765 /nfs/dbraw/zinc/54/77/65/751547765.db2.gz ISYQRJFJIRSPKZ-UHFFFAOYSA-N 1 1 339.399 0.996 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccncc2C#N)C1 ZINC001104794160 740514491 /nfs/dbraw/zinc/51/44/91/740514491.db2.gz AOAGCHNROWTRSL-YOEHRIQHSA-N 1 1 345.447 0.743 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccncc2C#N)C1 ZINC001104794160 740514494 /nfs/dbraw/zinc/51/44/94/740514494.db2.gz AOAGCHNROWTRSL-YOEHRIQHSA-N 1 1 345.447 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1nccc(OC)n1 ZINC001104861434 740747159 /nfs/dbraw/zinc/74/71/59/740747159.db2.gz NOZRPKYIBKLEQN-KBPBESRZSA-N 1 1 331.420 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1nccc(OC)n1 ZINC001104861434 740747160 /nfs/dbraw/zinc/74/71/60/740747160.db2.gz NOZRPKYIBKLEQN-KBPBESRZSA-N 1 1 331.420 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974044553 740828301 /nfs/dbraw/zinc/82/83/01/740828301.db2.gz AGNPTBPKUUOXDN-LZWOXQAQSA-N 1 1 339.399 0.361 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974044553 740828306 /nfs/dbraw/zinc/82/83/06/740828306.db2.gz AGNPTBPKUUOXDN-LZWOXQAQSA-N 1 1 339.399 0.361 20 30 ECEDMO CC(C)C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104926289 740955018 /nfs/dbraw/zinc/95/50/18/740955018.db2.gz OABUQGYCJYCSLT-DZGCQCFKSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104926289 740955023 /nfs/dbraw/zinc/95/50/23/740955023.db2.gz OABUQGYCJYCSLT-DZGCQCFKSA-N 1 1 346.435 0.622 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000974150183 741019158 /nfs/dbraw/zinc/01/91/58/741019158.db2.gz OSUGUPDASXVYAF-MCIONIFRSA-N 1 1 346.435 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CCCOC2)C1 ZINC000974158899 741029167 /nfs/dbraw/zinc/02/91/67/741029167.db2.gz FQEOINIUDRRNEB-NCOADZHNSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CCCOC2)C1 ZINC000974158899 741029169 /nfs/dbraw/zinc/02/91/69/741029169.db2.gz FQEOINIUDRRNEB-NCOADZHNSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCn1nc(C)nc1C ZINC001038366303 741060816 /nfs/dbraw/zinc/06/08/16/741060816.db2.gz GTNUNHPNJDUALS-SJORKVTESA-N 1 1 344.463 0.183 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCn1nc(C)nc1C ZINC001038366303 741060820 /nfs/dbraw/zinc/06/08/20/741060820.db2.gz GTNUNHPNJDUALS-SJORKVTESA-N 1 1 344.463 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCn1nc(C)nc1C ZINC001038366303 741060827 /nfs/dbraw/zinc/06/08/27/741060827.db2.gz GTNUNHPNJDUALS-SJORKVTESA-N 1 1 344.463 0.183 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCn1nc(C)nc1C ZINC001038366303 741060832 /nfs/dbraw/zinc/06/08/32/741060832.db2.gz GTNUNHPNJDUALS-SJORKVTESA-N 1 1 344.463 0.183 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112069627 741091094 /nfs/dbraw/zinc/09/10/94/741091094.db2.gz GQWMURMOLRACTB-GHMZBOCLSA-N 1 1 337.342 0.256 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000974211991 741111928 /nfs/dbraw/zinc/11/19/28/741111928.db2.gz BNTAXTRFDUYMNF-QKPAOTATSA-N 1 1 347.459 0.969 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[N@H+](CCc3cnn(C)c3)CC2)nn1 ZINC000982113978 751607474 /nfs/dbraw/zinc/60/74/74/751607474.db2.gz SYQAMOHPRHCXKS-UHFFFAOYSA-N 1 1 343.435 0.588 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001006645662 751616232 /nfs/dbraw/zinc/61/62/32/751616232.db2.gz QVMGNLSUJKRRSW-CVEARBPZSA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001006645662 751616243 /nfs/dbraw/zinc/61/62/43/751616243.db2.gz QVMGNLSUJKRRSW-CVEARBPZSA-N 1 1 344.415 0.301 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(N)=O)C2)CC1 ZINC001105062599 741267896 /nfs/dbraw/zinc/26/78/96/741267896.db2.gz ZEFQPFCCRQBDTK-HLLBOEOZSA-N 1 1 348.491 0.280 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)Cc2cnn(C)c2)CC1 ZINC001098516295 751621973 /nfs/dbraw/zinc/62/19/73/751621973.db2.gz SINZNMNUOKYQMY-OAHLLOKOSA-N 1 1 332.448 0.517 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC2(C1)CCC[N@@H+](CC(=O)NC)C2 ZINC000982131355 751630259 /nfs/dbraw/zinc/63/02/59/751630259.db2.gz ZFHBOOZUCGPZFM-UHFFFAOYSA-N 1 1 339.439 0.881 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC2(C1)CCC[N@H+](CC(=O)NC)C2 ZINC000982131355 751630260 /nfs/dbraw/zinc/63/02/60/751630260.db2.gz ZFHBOOZUCGPZFM-UHFFFAOYSA-N 1 1 339.439 0.881 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCOC3)C2)nn1 ZINC001105197428 741459154 /nfs/dbraw/zinc/45/91/54/741459154.db2.gz SOAOISRLXARGHS-AWEZNQCLSA-N 1 1 349.435 0.380 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCc4n[nH]cc43)C2)nn1 ZINC001105240329 741531183 /nfs/dbraw/zinc/53/11/83/741531183.db2.gz IKAQHIKWFPOKIQ-AWEZNQCLSA-N 1 1 341.419 0.780 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243534 741542399 /nfs/dbraw/zinc/54/23/99/741542399.db2.gz CQSNIZDNGPMAIR-CZUORRHYSA-N 1 1 332.452 0.667 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243534 741542401 /nfs/dbraw/zinc/54/24/01/741542401.db2.gz CQSNIZDNGPMAIR-CZUORRHYSA-N 1 1 332.452 0.667 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCOC)nn2)C1 ZINC001105243099 741544019 /nfs/dbraw/zinc/54/40/19/741544019.db2.gz VDHYEFGBVWTGGF-CVEARBPZSA-N 1 1 349.435 0.379 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105243139 741544026 /nfs/dbraw/zinc/54/40/26/741544026.db2.gz XTNDPTIKEJOCNQ-KRWDZBQOSA-N 1 1 344.463 0.669 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@H]3C(C)C)C2)nn1 ZINC001105259682 741582093 /nfs/dbraw/zinc/58/20/93/741582093.db2.gz IBHAUXMTPADJAW-HOTGVXAUSA-N 1 1 333.436 0.998 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000974405875 741585257 /nfs/dbraw/zinc/58/52/57/741585257.db2.gz QPHHEPAPNWAUSI-SJWGOKEGSA-N 1 1 340.427 0.638 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3cnn(C)c3C)C2)nn1 ZINC001105259749 741586144 /nfs/dbraw/zinc/58/61/44/741586144.db2.gz KVCRUABPXKEMTR-UHFFFAOYSA-N 1 1 343.435 0.612 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)nn1 ZINC001105264842 741602916 /nfs/dbraw/zinc/60/29/16/741602916.db2.gz QUTKBYAVMOFKGZ-HUUCEWRRSA-N 1 1 341.419 0.854 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc(C4CC4)cn3)C2)nn1 ZINC001105275452 741621697 /nfs/dbraw/zinc/62/16/97/741621697.db2.gz QOTYEKZLESOHIB-UHFFFAOYSA-N 1 1 341.419 0.711 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3CCC)C2)nn1 ZINC001105276765 741630610 /nfs/dbraw/zinc/63/06/10/741630610.db2.gz RUSJESGDRDLOQA-UHFFFAOYSA-N 1 1 343.435 0.937 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000974410848 741638006 /nfs/dbraw/zinc/63/80/06/741638006.db2.gz ZBTHPHBXKZPEQB-LJIZCISZSA-N 1 1 335.448 0.683 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3ccon3)C2)nn1 ZINC001105281070 741639948 /nfs/dbraw/zinc/63/99/48/741639948.db2.gz SCLSBEKZVBDWFF-UHFFFAOYSA-N 1 1 330.392 0.948 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N[C@@H](CC)C3)C2)nn1 ZINC001105290825 741652257 /nfs/dbraw/zinc/65/22/57/741652257.db2.gz YXBBOMIVWHCJGB-STQMWFEESA-N 1 1 346.435 0.242 20 30 ECEDMO C=CCCC[NH2+]Cc1cn(C2CN(C(=O)c3[nH]nnc3C)C2)nn1 ZINC001105294716 741665218 /nfs/dbraw/zinc/66/52/18/741665218.db2.gz CJYCFEXICXJGER-UHFFFAOYSA-N 1 1 330.396 0.458 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC001026695889 741680886 /nfs/dbraw/zinc/68/08/86/741680886.db2.gz VJACFAOFHZELSD-ZFWWWQNUSA-N 1 1 345.447 0.811 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058728639 741693794 /nfs/dbraw/zinc/69/37/94/741693794.db2.gz ZQQSRKNRBWKPEE-QAPCUYQASA-N 1 1 339.480 0.868 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000974462596 741770781 /nfs/dbraw/zinc/77/07/81/741770781.db2.gz FFTWWKORMRUJDH-IXDOHACOSA-N 1 1 329.444 0.943 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327240 741813418 /nfs/dbraw/zinc/81/34/18/741813418.db2.gz XXAXLGUFZNHOFY-CQSZACIVSA-N 1 1 332.452 0.811 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC(=C)C)nn2)C1 ZINC001105328629 741822512 /nfs/dbraw/zinc/82/25/12/741822512.db2.gz NJPHWZZNMCFKQV-CVEARBPZSA-N 1 1 331.420 0.918 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3[nH]c(C)nc3C)C2)nn1 ZINC001105328548 741823530 /nfs/dbraw/zinc/82/35/30/741823530.db2.gz JTHDSYCKPZKSGG-UHFFFAOYSA-N 1 1 329.408 0.981 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000974531459 741871853 /nfs/dbraw/zinc/87/18/53/741871853.db2.gz RRHRMQZMTNTZTJ-HZPDHXFCSA-N 1 1 349.475 0.980 20 30 ECEDMO CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000974660862 741967571 /nfs/dbraw/zinc/96/75/71/741967571.db2.gz FFJSRIWLZPZFMW-CVEARBPZSA-N 1 1 334.464 0.980 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C(C)(C)C1 ZINC000974662352 741976245 /nfs/dbraw/zinc/97/62/45/741976245.db2.gz JVIMSUFNXQQGQS-LBPRGKRZSA-N 1 1 327.388 0.747 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974746814 742133680 /nfs/dbraw/zinc/13/36/80/742133680.db2.gz ADQWLEHXZLDWTG-LBPRGKRZSA-N 1 1 341.433 0.943 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C(C)(C)C1 ZINC000974797153 742201100 /nfs/dbraw/zinc/20/11/00/742201100.db2.gz ZRAGKIAFGMXCIR-AWEZNQCLSA-N 1 1 342.403 0.783 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974823175 742219171 /nfs/dbraw/zinc/21/91/71/742219171.db2.gz COHHVOCBYOWZCS-AWEZNQCLSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)nn1 ZINC001098623114 742270843 /nfs/dbraw/zinc/27/08/43/742270843.db2.gz XQPYCVOKCRIIRL-AWEZNQCLSA-N 1 1 327.392 0.510 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000974864905 742271582 /nfs/dbraw/zinc/27/15/82/742271582.db2.gz NMALDOVGGJIDCX-HNNXBMFYSA-N 1 1 339.403 0.521 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000974864905 742271586 /nfs/dbraw/zinc/27/15/86/742271586.db2.gz NMALDOVGGJIDCX-HNNXBMFYSA-N 1 1 339.403 0.521 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000974859292 742275469 /nfs/dbraw/zinc/27/54/69/742275469.db2.gz BBMPBIGXJQHPQC-KBPBESRZSA-N 1 1 331.420 0.768 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)C(C)(C)C1 ZINC000974897334 742330518 /nfs/dbraw/zinc/33/05/18/742330518.db2.gz ULNDSSPKOUUIPD-AWEZNQCLSA-N 1 1 343.431 0.899 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000975000449 742428415 /nfs/dbraw/zinc/42/84/15/742428415.db2.gz YETLACXEJBUMLK-HZPDHXFCSA-N 1 1 340.427 0.546 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000975000449 742428419 /nfs/dbraw/zinc/42/84/19/742428419.db2.gz YETLACXEJBUMLK-HZPDHXFCSA-N 1 1 340.427 0.546 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2(C)C)C1 ZINC000975025156 742442984 /nfs/dbraw/zinc/44/29/84/742442984.db2.gz IKOJJWIZLGGJHZ-OLZOCXBDSA-N 1 1 333.432 0.975 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)CC2(C)C)C1 ZINC000975025156 742442985 /nfs/dbraw/zinc/44/29/85/742442985.db2.gz IKOJJWIZLGGJHZ-OLZOCXBDSA-N 1 1 333.432 0.975 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC2(C)C)c1 ZINC000975012397 742446084 /nfs/dbraw/zinc/44/60/84/742446084.db2.gz QGHHVECTXGBPHH-JKSUJKDBSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC2(C)C)c1 ZINC000975012397 742446088 /nfs/dbraw/zinc/44/60/88/742446088.db2.gz QGHHVECTXGBPHH-JKSUJKDBSA-N 1 1 340.427 0.782 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000975194687 742587331 /nfs/dbraw/zinc/58/73/31/742587331.db2.gz RZCRHERZWJNTPC-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000975223986 742610891 /nfs/dbraw/zinc/61/08/91/742610891.db2.gz XFSUOUWAGAISDF-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CC(=O)N3CCOCC3)C[C@]2(C)C1 ZINC000982236745 751747264 /nfs/dbraw/zinc/74/72/64/751747264.db2.gz QAZATGOALPCADY-JCGIZDLHSA-N 1 1 348.447 0.175 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3c(C)n[nH]c3C)CC2)C1=O ZINC000982237781 751749159 /nfs/dbraw/zinc/74/91/59/751749159.db2.gz GKNNFVDMVUFBCI-OAHLLOKOSA-N 1 1 345.447 0.961 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3c(C)n[nH]c3C)CC2)C1=O ZINC000982237781 751749165 /nfs/dbraw/zinc/74/91/65/751749165.db2.gz GKNNFVDMVUFBCI-OAHLLOKOSA-N 1 1 345.447 0.961 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000975285596 742670958 /nfs/dbraw/zinc/67/09/58/742670958.db2.gz WQJOJMMOIAJBMP-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000975281964 742691091 /nfs/dbraw/zinc/69/10/91/742691091.db2.gz OIXYRZAIARCVSY-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)nc1 ZINC001028939466 742929120 /nfs/dbraw/zinc/92/91/20/742929120.db2.gz OJTXGXMMQOHCBY-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO N#Cc1cc(C(=O)NCC[NH2+]Cc2nnnn2-c2ccccc2)c[nH]1 ZINC001125994972 743139278 /nfs/dbraw/zinc/13/92/78/743139278.db2.gz QWFXXZAQLUEXLT-UHFFFAOYSA-N 1 1 336.359 0.382 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([NH2+]Cc3nc(C)no3)CC2)nn1 ZINC000997076124 743200999 /nfs/dbraw/zinc/20/09/99/743200999.db2.gz VLSTVXTXQIIQER-UHFFFAOYSA-N 1 1 331.380 0.550 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000997084505 743210606 /nfs/dbraw/zinc/21/06/06/743210606.db2.gz XWWZOLBMNQXXDS-MRXNPFEDSA-N 1 1 326.400 0.488 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21 ZINC000975766338 743294331 /nfs/dbraw/zinc/29/43/31/743294331.db2.gz XWDOFDMVAXNUCQ-IPYPFGDCSA-N 1 1 329.404 0.951 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001058761262 743339007 /nfs/dbraw/zinc/33/90/07/743339007.db2.gz WMPNVSNFKPDSDN-CWRNSKLLSA-N 1 1 340.431 0.788 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]C[C@H](C)OC)nn2)C1 ZINC001105381268 743451518 /nfs/dbraw/zinc/45/15/18/743451518.db2.gz VTHMGJKTXRVTFI-STQMWFEESA-N 1 1 337.424 0.377 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCS(=O)(=O)CC2)C1 ZINC001027336351 743796891 /nfs/dbraw/zinc/79/68/91/743796891.db2.gz PHJAPBFVCYTLTD-UKRRQHHQSA-N 1 1 341.477 0.894 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000998028547 743938612 /nfs/dbraw/zinc/93/86/12/743938612.db2.gz YFWGLSRJMUCROL-IAGOWNOFSA-N 1 1 349.475 0.818 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C3CS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982288105 751874780 /nfs/dbraw/zinc/87/47/80/751874780.db2.gz YEAVQEYVZIDFAE-IYBDPMFKSA-N 1 1 326.462 0.778 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nnn(C)n2)CC1 ZINC000998147448 744004689 /nfs/dbraw/zinc/00/46/89/744004689.db2.gz BBRYZMOSULMOMP-HOCLYGCPSA-N 1 1 348.451 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000998154264 744011084 /nfs/dbraw/zinc/01/10/84/744011084.db2.gz IPSLXBWSWCSIMW-HUUCEWRRSA-N 1 1 341.477 0.357 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001027371889 744020001 /nfs/dbraw/zinc/02/00/01/744020001.db2.gz LFFKAPJIMUZHFS-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC12CCC2 ZINC000976520034 744033121 /nfs/dbraw/zinc/03/31/21/744033121.db2.gz IUAGKYAOWZRZJQ-ALYAQQCSSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC12CCC2 ZINC000976520034 744033125 /nfs/dbraw/zinc/03/31/25/744033125.db2.gz IUAGKYAOWZRZJQ-ALYAQQCSSA-N 1 1 341.455 0.847 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000998197373 744044804 /nfs/dbraw/zinc/04/48/04/744044804.db2.gz LJBVGVXXSVYJKG-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C(F)(F)F ZINC000998253723 744079214 /nfs/dbraw/zinc/07/92/14/744079214.db2.gz XUBZSQYPXAXMEE-DTWKUNHWSA-N 1 1 327.734 0.983 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000976541369 744082583 /nfs/dbraw/zinc/08/25/83/744082583.db2.gz RMTWUTZZEKYLFY-BPLDGKMQSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000998481480 744189823 /nfs/dbraw/zinc/18/98/23/744189823.db2.gz KFRWKTWTAJRYGU-NRXISQOPSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000976695811 744241382 /nfs/dbraw/zinc/24/13/82/744241382.db2.gz PYLPMPIPLRRDAP-HDEZJCGLSA-N 1 1 342.443 0.955 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982298641 751909243 /nfs/dbraw/zinc/90/92/43/751909243.db2.gz KBNTWIOVCPDWGG-AFAVFJNCSA-N 1 1 334.420 0.331 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028772307 755058000 /nfs/dbraw/zinc/05/80/00/755058000.db2.gz BUZSORNZNRQOED-UWVGGRQHSA-N 1 1 331.214 0.015 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000976853303 744400712 /nfs/dbraw/zinc/40/07/12/744400712.db2.gz SSUXGIGOOTWQAX-APNQJHFZSA-N 1 1 341.415 0.495 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028772307 755058004 /nfs/dbraw/zinc/05/80/04/755058004.db2.gz BUZSORNZNRQOED-UWVGGRQHSA-N 1 1 331.214 0.015 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1 ZINC000976864455 744417825 /nfs/dbraw/zinc/41/78/25/744417825.db2.gz KCAFNGFCGFPHJF-HVOFVXBASA-N 1 1 341.415 0.415 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccnn2C)C1 ZINC001027446494 744486024 /nfs/dbraw/zinc/48/60/24/744486024.db2.gz LNAWNMNAPYQULB-WMZOPIPTSA-N 1 1 343.475 0.941 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccnn2C)C1 ZINC001027446494 744486026 /nfs/dbraw/zinc/48/60/26/744486026.db2.gz LNAWNMNAPYQULB-WMZOPIPTSA-N 1 1 343.475 0.941 20 30 ECEDMO C=C1CCC(C(=O)NC2CN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC000999090696 744510107 /nfs/dbraw/zinc/51/01/07/744510107.db2.gz NMEFXYMVKOPLDI-UHFFFAOYSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999195518 744560553 /nfs/dbraw/zinc/56/05/53/744560553.db2.gz RURJYTQTYFOOPT-IMJJTQAJSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001027472134 744665543 /nfs/dbraw/zinc/66/55/43/744665543.db2.gz ZEKNAUPACFYPSK-CQSZACIVSA-N 1 1 342.871 0.436 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001027472134 744665547 /nfs/dbraw/zinc/66/55/47/744665547.db2.gz ZEKNAUPACFYPSK-CQSZACIVSA-N 1 1 342.871 0.436 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000977195318 744745819 /nfs/dbraw/zinc/74/58/19/744745819.db2.gz AGLPSSSBJORXJH-HVOFVXBASA-N 1 1 341.415 0.557 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)CC2(C)C)nn1 ZINC000977274365 744828938 /nfs/dbraw/zinc/82/89/38/744828938.db2.gz RKYOZFFILLJKRG-UKRRQHHQSA-N 1 1 333.436 0.941 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C(C)(C)C1 ZINC000977315511 744857541 /nfs/dbraw/zinc/85/75/41/744857541.db2.gz DGVAHWJKAJRWGV-AWEZNQCLSA-N 1 1 341.415 0.795 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C(C)(C)C1 ZINC000977315513 744857862 /nfs/dbraw/zinc/85/78/62/744857862.db2.gz DGVAHWJKAJRWGV-CQSZACIVSA-N 1 1 341.415 0.795 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc1 ZINC000999861732 744956383 /nfs/dbraw/zinc/95/63/83/744956383.db2.gz AYAYTLUCXLRUQU-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001027522109 744975198 /nfs/dbraw/zinc/97/51/98/744975198.db2.gz RPIVCUSEXFPEGF-CYBMUJFWSA-N 1 1 336.436 0.673 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CN(C(=O)C#CC3CC3)C1)C2 ZINC000999883885 744999514 /nfs/dbraw/zinc/99/95/14/744999514.db2.gz VOGWHYJBPDKNPJ-AWEZNQCLSA-N 1 1 326.400 0.494 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)COC)CC1 ZINC001105383048 745023657 /nfs/dbraw/zinc/02/36/57/745023657.db2.gz RJCNNTAJBLAGHT-GOSISDBHSA-N 1 1 347.459 0.475 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000977463258 745048001 /nfs/dbraw/zinc/04/80/01/745048001.db2.gz OQWXDLSQIIGFKP-CYBMUJFWSA-N 1 1 344.419 0.824 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 ZINC000999937640 745070435 /nfs/dbraw/zinc/07/04/35/745070435.db2.gz IPYPMFMTHBOTRT-CQSZACIVSA-N 1 1 333.392 0.605 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncoc3C)nn2)C1 ZINC000999954815 745093850 /nfs/dbraw/zinc/09/38/50/745093850.db2.gz HFAIQFMRGBFCKV-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cscn3)nn2)C1 ZINC000999964237 745108911 /nfs/dbraw/zinc/10/89/11/745108911.db2.gz WQZKRLBNJHAZEU-CYBMUJFWSA-N 1 1 330.417 0.935 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 ZINC000999969191 745115228 /nfs/dbraw/zinc/11/52/28/745115228.db2.gz WANNVIMHZKWZDQ-OAHLLOKOSA-N 1 1 327.392 0.212 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC000999979669 745129573 /nfs/dbraw/zinc/12/95/73/745129573.db2.gz JEXKMRDMUIZBTJ-AWEZNQCLSA-N 1 1 325.376 0.841 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CN(C(C)=O)C3)nn2)C1 ZINC000999981027 745131569 /nfs/dbraw/zinc/13/15/69/745131569.db2.gz QEBOVDUKSXOARV-INIZCTEOSA-N 1 1 346.435 0.196 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC2(C)C)nc1 ZINC000977514193 745134935 /nfs/dbraw/zinc/13/49/35/745134935.db2.gz OLVPGDXCQPABKU-HZPDHXFCSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC2(C)C)nc1 ZINC000977514193 745134939 /nfs/dbraw/zinc/13/49/39/745134939.db2.gz OLVPGDXCQPABKU-HZPDHXFCSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCNC3=O)CC2(C)C)nc1 ZINC000977514522 745135010 /nfs/dbraw/zinc/13/50/10/745135010.db2.gz PYVVGYZUHSBUIL-CABCVRRESA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)nc1 ZINC000977514522 745135013 /nfs/dbraw/zinc/13/50/13/745135013.db2.gz PYVVGYZUHSBUIL-CABCVRRESA-N 1 1 326.400 0.392 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC000999985180 745138189 /nfs/dbraw/zinc/13/81/89/745138189.db2.gz OXKNZUUXODKCFQ-CQSZACIVSA-N 1 1 347.810 0.997 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC000999985180 745138192 /nfs/dbraw/zinc/13/81/92/745138192.db2.gz OXKNZUUXODKCFQ-CQSZACIVSA-N 1 1 347.810 0.997 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CCn3cncn3)CC2(C)C)nc1 ZINC000977523459 745142126 /nfs/dbraw/zinc/14/21/26/745142126.db2.gz IWTXUJUEBOGQNG-INIZCTEOSA-N 1 1 338.415 0.795 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3CC)nn2)C1 ZINC000999989525 745145532 /nfs/dbraw/zinc/14/55/32/745145532.db2.gz CVCNHKIZJZWTAO-PVAVHDDUSA-N 1 1 345.447 0.980 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 ZINC000999990303 745147562 /nfs/dbraw/zinc/14/75/62/745147562.db2.gz JMDQXEOLZCRDNN-ZDUSSCGKSA-N 1 1 330.396 0.160 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)CC2(C)C)nc1 ZINC000977528882 745149063 /nfs/dbraw/zinc/14/90/63/745149063.db2.gz WADQUXDEKVVWPA-SWLSCSKDSA-N 1 1 328.416 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)nc1 ZINC000977528882 745149066 /nfs/dbraw/zinc/14/90/66/745149066.db2.gz WADQUXDEKVVWPA-SWLSCSKDSA-N 1 1 328.416 0.638 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(OC)nc3)nn2)C1 ZINC001000001137 745163721 /nfs/dbraw/zinc/16/37/21/745163721.db2.gz BIIRFGQIZYWPTB-HNNXBMFYSA-N 1 1 340.387 0.492 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cn[nH]n3)nn2)C1 ZINC001000001670 745164443 /nfs/dbraw/zinc/16/44/43/745164443.db2.gz DQNUWSCFOPFJKO-ZDUSSCGKSA-N 1 1 330.396 0.539 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001000001670 745164445 /nfs/dbraw/zinc/16/44/45/745164445.db2.gz DQNUWSCFOPFJKO-ZDUSSCGKSA-N 1 1 330.396 0.539 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001000001670 745164447 /nfs/dbraw/zinc/16/44/47/745164447.db2.gz DQNUWSCFOPFJKO-ZDUSSCGKSA-N 1 1 330.396 0.539 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3csnn3)nn2)C1 ZINC001000002006 745165264 /nfs/dbraw/zinc/16/52/64/745165264.db2.gz QVHXBLBPXDMEEV-LBPRGKRZSA-N 1 1 331.405 0.330 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC(=O)N3C)nn2)C1 ZINC001000017107 745187506 /nfs/dbraw/zinc/18/75/06/745187506.db2.gz VOPOLINBQXXLOZ-CABCVRRESA-N 1 1 346.435 0.338 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]nnc3C)nn2)C1 ZINC001000019045 745188951 /nfs/dbraw/zinc/18/89/51/745188951.db2.gz RVQXCDNWBZCIPG-ZDUSSCGKSA-N 1 1 330.396 0.458 20 30 ECEDMO C=C1CCC(C(=O)NCc2cn([C@@H]3CC[N@@H+](CC(N)=O)C3)nn2)CC1 ZINC001000019980 745190322 /nfs/dbraw/zinc/19/03/22/745190322.db2.gz HYOKGQBHTSSGDX-OAHLLOKOSA-N 1 1 346.435 0.373 20 30 ECEDMO C=C1CCC(C(=O)NCc2cn([C@@H]3CC[N@H+](CC(N)=O)C3)nn2)CC1 ZINC001000019980 745190331 /nfs/dbraw/zinc/19/03/31/745190331.db2.gz HYOKGQBHTSSGDX-OAHLLOKOSA-N 1 1 346.435 0.373 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001000023792 745194692 /nfs/dbraw/zinc/19/46/92/745194692.db2.gz DPGFCOBCYAOYFK-OAHLLOKOSA-N 1 1 327.392 0.821 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cn([C@@H]3CC[N@@H+](CC=C)C3)nn2)nn1 ZINC001000034556 745210448 /nfs/dbraw/zinc/21/04/48/745210448.db2.gz WOBREHNIDXMXIG-CQSZACIVSA-N 1 1 342.407 0.418 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccc(OC)n3)nn2)C1 ZINC001000035770 745212094 /nfs/dbraw/zinc/21/20/94/745212094.db2.gz MDIODNJIJFSVND-AWEZNQCLSA-N 1 1 340.387 0.492 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001000041532 745221253 /nfs/dbraw/zinc/22/12/53/745221253.db2.gz CJETVXWFPXJWKV-CYBMUJFWSA-N 1 1 349.826 0.941 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001000041532 745221259 /nfs/dbraw/zinc/22/12/59/745221259.db2.gz CJETVXWFPXJWKV-CYBMUJFWSA-N 1 1 349.826 0.941 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC000977595270 745231545 /nfs/dbraw/zinc/23/15/45/745231545.db2.gz BKTWGLJSFOMGGL-AWEZNQCLSA-N 1 1 340.387 0.764 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nn(C)cc3Cl)C2)nn1 ZINC001020700513 751990572 /nfs/dbraw/zinc/99/05/72/751990572.db2.gz RMVKXTKLZIAXQS-XYPYZODXSA-N 1 1 349.826 0.902 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000977604043 745255096 /nfs/dbraw/zinc/25/50/96/745255096.db2.gz PYLORYCEUHSTSM-CHWSQXEVSA-N 1 1 329.466 0.471 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3[nH]cnc3C)C(C)(C)C2)C1=O ZINC000977660452 745353790 /nfs/dbraw/zinc/35/37/90/745353790.db2.gz FYEKDHSSZQJPTQ-KGLIPLIRSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3[nH]cnc3C)C(C)(C)C2)C1=O ZINC000977660452 745353797 /nfs/dbraw/zinc/35/37/97/745353797.db2.gz FYEKDHSSZQJPTQ-KGLIPLIRSA-N 1 1 345.447 0.945 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027551065 745389733 /nfs/dbraw/zinc/38/97/33/745389733.db2.gz HRVIHULQHNUCRF-SMDDNHRTSA-N 1 1 347.444 0.724 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)C4CCOCC4)[C@@H]3C2)C1=O ZINC000977734670 745431793 /nfs/dbraw/zinc/43/17/93/745431793.db2.gz IQNFWKQBKNIFEA-NXOAAHMSSA-N 1 1 347.459 0.494 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000977771349 745475104 /nfs/dbraw/zinc/47/51/04/745475104.db2.gz LDOGLRHKJGVWCI-NVXWUHKLSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3cnon3)C2)nn1 ZINC001000427337 745491409 /nfs/dbraw/zinc/49/14/09/745491409.db2.gz LQHPLOZODMMZEN-LBPRGKRZSA-N 1 1 331.380 0.632 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1nc(C)c[nH]1 ZINC000977767488 745494025 /nfs/dbraw/zinc/49/40/25/745494025.db2.gz DLEOOPKGDJYMQG-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1nc(C)c[nH]1 ZINC000977767488 745494029 /nfs/dbraw/zinc/49/40/29/745494029.db2.gz DLEOOPKGDJYMQG-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO COc1cccc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)c1 ZINC001083414045 745526443 /nfs/dbraw/zinc/52/64/43/745526443.db2.gz JEAJLAMHWGFQBG-SJORKVTESA-N 1 1 340.383 0.870 20 30 ECEDMO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)c1 ZINC001083414045 745526448 /nfs/dbraw/zinc/52/64/48/745526448.db2.gz JEAJLAMHWGFQBG-SJORKVTESA-N 1 1 340.383 0.870 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c[nH]1 ZINC001083414439 745543359 /nfs/dbraw/zinc/54/33/59/745543359.db2.gz CQZBPPVQKBBJBX-SJORKVTESA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c[nH]1 ZINC001083414439 745543363 /nfs/dbraw/zinc/54/33/63/745543363.db2.gz CQZBPPVQKBBJBX-SJORKVTESA-N 1 1 335.367 0.733 20 30 ECEDMO Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)c(C)n1 ZINC001083414799 745543801 /nfs/dbraw/zinc/54/38/01/745543801.db2.gz WCXVSTWOXQVWSX-SJORKVTESA-N 1 1 339.399 0.873 20 30 ECEDMO Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)c(C)n1 ZINC001083414799 745543802 /nfs/dbraw/zinc/54/38/02/745543802.db2.gz WCXVSTWOXQVWSX-SJORKVTESA-N 1 1 339.399 0.873 20 30 ECEDMO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001059270661 745551236 /nfs/dbraw/zinc/55/12/36/745551236.db2.gz GYWFBHFJTHQXPP-DCGLDWPTSA-N 1 1 326.404 0.893 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccnn4C)[C@@H]3C2)C1=O ZINC000977878359 745584487 /nfs/dbraw/zinc/58/44/87/745584487.db2.gz DFNMQEPQCIXEGK-AYDFFVQHSA-N 1 1 343.431 0.115 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001000563003 745597568 /nfs/dbraw/zinc/59/75/68/745597568.db2.gz METGKYUSQWVEFG-GFCCVEGCSA-N 1 1 329.404 0.725 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105360818 752021066 /nfs/dbraw/zinc/02/10/66/752021066.db2.gz JZDKTQKIEILWRJ-CQSZACIVSA-N 1 1 332.452 0.669 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccncn1 ZINC000977918353 745645492 /nfs/dbraw/zinc/64/54/92/745645492.db2.gz LXSGUWPLLUEFEH-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccncn1 ZINC000977918353 745645495 /nfs/dbraw/zinc/64/54/95/745645495.db2.gz LXSGUWPLLUEFEH-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csnn3)C2)nn1 ZINC001020714608 752018401 /nfs/dbraw/zinc/01/84/01/752018401.db2.gz VLKYYCKRYDKNLA-XYPYZODXSA-N 1 1 333.421 0.756 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(C)o3)C2)nn1 ZINC001020714852 752018780 /nfs/dbraw/zinc/01/87/80/752018780.db2.gz YEVPTLKTDXAGKB-HAQNSBGRSA-N 1 1 331.380 0.596 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027573957 745683856 /nfs/dbraw/zinc/68/38/56/745683856.db2.gz LHODAFIJKWOVNC-RWMBFGLXSA-N 1 1 329.828 0.695 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027573957 745683863 /nfs/dbraw/zinc/68/38/63/745683863.db2.gz LHODAFIJKWOVNC-RWMBFGLXSA-N 1 1 329.828 0.695 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC000977951191 745705238 /nfs/dbraw/zinc/70/52/38/745705238.db2.gz GJVHTUUMHUTAOL-ZJPYXAASSA-N 1 1 337.423 0.611 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1[nH]cnc1C ZINC000977981808 745744155 /nfs/dbraw/zinc/74/41/55/745744155.db2.gz HKELGZIRSMQBDQ-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1[nH]cnc1C ZINC000977981808 745744158 /nfs/dbraw/zinc/74/41/58/745744158.db2.gz HKELGZIRSMQBDQ-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001000790202 745767189 /nfs/dbraw/zinc/76/71/89/745767189.db2.gz GYTTVCVREOOCIV-SFHVURJKSA-N 1 1 341.459 0.766 20 30 ECEDMO Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)[nH]1 ZINC000978063592 745846607 /nfs/dbraw/zinc/84/66/07/745846607.db2.gz ORVDJRSTLPCYIA-QUAZDUCUSA-N 1 1 339.403 0.982 20 30 ECEDMO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)[nH]1 ZINC000978063592 745846616 /nfs/dbraw/zinc/84/66/16/745846616.db2.gz ORVDJRSTLPCYIA-QUAZDUCUSA-N 1 1 339.403 0.982 20 30 ECEDMO Cn1nncc1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC000978086302 745873327 /nfs/dbraw/zinc/87/33/27/745873327.db2.gz WWGSONGOLLMJAB-ZSOGYDGISA-N 1 1 342.428 0.856 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005640 752042478 /nfs/dbraw/zinc/04/24/78/752042478.db2.gz ZEDLHSLLEOECMG-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005640 752042484 /nfs/dbraw/zinc/04/24/84/752042484.db2.gz ZEDLHSLLEOECMG-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001000924327 745903534 /nfs/dbraw/zinc/90/35/34/745903534.db2.gz AXFZFWLCAIMJDB-UHFFFAOYSA-N 1 1 332.404 0.438 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCOC)nn2)C1 ZINC001098702902 745910231 /nfs/dbraw/zinc/91/02/31/745910231.db2.gz FAZXJRQPVAIPJO-MRXNPFEDSA-N 1 1 333.436 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]nc1C ZINC000978124601 745935940 /nfs/dbraw/zinc/93/59/40/745935940.db2.gz VLBHIHMRFKLTBQ-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]nc1C ZINC000978124601 745935943 /nfs/dbraw/zinc/93/59/43/745935943.db2.gz VLBHIHMRFKLTBQ-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1C ZINC000978124603 745935957 /nfs/dbraw/zinc/93/59/57/745935957.db2.gz VLBHIHMRFKLTBQ-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1C ZINC000978124603 745935960 /nfs/dbraw/zinc/93/59/60/745935960.db2.gz VLBHIHMRFKLTBQ-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCn1cncn1 ZINC001087548768 745961626 /nfs/dbraw/zinc/96/16/26/745961626.db2.gz NHXMYKMXRBVLNW-LSDHHAIUSA-N 1 1 327.392 0.761 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC001000998272 745963636 /nfs/dbraw/zinc/96/36/36/745963636.db2.gz BMDWNRZAEJTBQP-DLBZAZTESA-N 1 1 333.432 0.394 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001059338131 746014317 /nfs/dbraw/zinc/01/43/17/746014317.db2.gz YKGYBODSVLPYQZ-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)C1=O ZINC001027595249 746029954 /nfs/dbraw/zinc/02/99/54/746029954.db2.gz WZEWPWZYPXKRKL-HZPDHXFCSA-N 1 1 345.447 0.662 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027596708 746035087 /nfs/dbraw/zinc/03/50/87/746035087.db2.gz YXLCCSOINBIJRX-MNOVXSKESA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027596708 746035093 /nfs/dbraw/zinc/03/50/93/746035093.db2.gz YXLCCSOINBIJRX-MNOVXSKESA-N 1 1 328.800 0.260 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@H+]([C@@H]3CCCNC3=O)CC2)c1 ZINC001001129167 746098710 /nfs/dbraw/zinc/09/87/10/746098710.db2.gz QBSDFXAJNNUXPK-QGZVFWFLSA-N 1 1 338.411 0.703 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1CC ZINC001087630716 746131953 /nfs/dbraw/zinc/13/19/53/746131953.db2.gz UGPQCCOZNUEUSF-UONOGXRCSA-N 1 1 342.871 0.482 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1CC ZINC001087630716 746131955 /nfs/dbraw/zinc/13/19/55/746131955.db2.gz UGPQCCOZNUEUSF-UONOGXRCSA-N 1 1 342.871 0.482 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC(F)(F)F)c3)[C@@H]2C1 ZINC000978279057 746140816 /nfs/dbraw/zinc/14/08/16/746140816.db2.gz QIGWVLVKDIBYQL-XYYAHUGASA-N 1 1 326.322 0.986 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccsn4)[C@@H]3C2)C1=O ZINC000978311266 746159245 /nfs/dbraw/zinc/15/92/45/746159245.db2.gz CMFXDADUTNBAHS-XPCVCDNBSA-N 1 1 346.456 0.838 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001001219183 746173791 /nfs/dbraw/zinc/17/37/91/746173791.db2.gz PCLKSJGNXQJCDS-UHFFFAOYSA-N 1 1 332.404 0.022 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001001231624 746190752 /nfs/dbraw/zinc/19/07/52/746190752.db2.gz YXANFAVPDGKAQV-KRWDZBQOSA-N 1 1 346.475 0.000 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001027612381 746209483 /nfs/dbraw/zinc/20/94/83/746209483.db2.gz IDQSKFVMCMJBPS-KGLIPLIRSA-N 1 1 329.466 0.519 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001001254971 746213256 /nfs/dbraw/zinc/21/32/56/746213256.db2.gz TZXUWWVNBCHPJZ-CQSZACIVSA-N 1 1 327.450 0.345 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087708126 746214138 /nfs/dbraw/zinc/21/41/38/746214138.db2.gz RKBZGEXCTGVLIM-HRCADAONSA-N 1 1 341.415 0.709 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087708142 746214658 /nfs/dbraw/zinc/21/46/58/746214658.db2.gz RVKWLDKNAIAPMH-ARFHVFGLSA-N 1 1 341.415 0.709 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1ccccc1C#N ZINC001087708142 746214659 /nfs/dbraw/zinc/21/46/59/746214659.db2.gz RVKWLDKNAIAPMH-ARFHVFGLSA-N 1 1 341.415 0.709 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)[C@@H]1CC ZINC001087732391 746257701 /nfs/dbraw/zinc/25/77/01/746257701.db2.gz UBFWKFOPNRCHFH-QXSJWSMHSA-N 1 1 335.448 0.825 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)[C@@H]1CC ZINC001087732391 746257702 /nfs/dbraw/zinc/25/77/02/746257702.db2.gz UBFWKFOPNRCHFH-QXSJWSMHSA-N 1 1 335.448 0.825 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cncc(C)c2)C1 ZINC001001304022 746261922 /nfs/dbraw/zinc/26/19/22/746261922.db2.gz XYYRZCMQYGUPOJ-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cncc(C)c2)C1 ZINC001001304022 746261926 /nfs/dbraw/zinc/26/19/26/746261926.db2.gz XYYRZCMQYGUPOJ-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087757631 746290941 /nfs/dbraw/zinc/29/09/41/746290941.db2.gz CWHQRMGRAKBTHP-MJBXVCDLSA-N 1 1 327.450 0.013 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001356617 746303564 /nfs/dbraw/zinc/30/35/64/746303564.db2.gz JAZXICBLXXMQJM-SMDDNHRTSA-N 1 1 329.404 0.272 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC001001360619 746306894 /nfs/dbraw/zinc/30/68/94/746306894.db2.gz NGWRNNTXWJZHBT-UHFFFAOYSA-N 1 1 325.372 0.820 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+]([C@@H]3CCCNC3=O)CC2)cn1 ZINC001001382949 746329443 /nfs/dbraw/zinc/32/94/43/746329443.db2.gz FKVRYPBMIWAYNK-QGZVFWFLSA-N 1 1 338.411 0.703 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)[C@H]2CC)C1=O ZINC001087790302 746341704 /nfs/dbraw/zinc/34/17/04/746341704.db2.gz DIASDZCLLXJODM-MJBXVCDLSA-N 1 1 346.435 0.103 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3nnc[nH]3)[C@H]2CC)C1=O ZINC001087790302 746341708 /nfs/dbraw/zinc/34/17/08/746341708.db2.gz DIASDZCLLXJODM-MJBXVCDLSA-N 1 1 346.435 0.103 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3nnc[nH]3)[C@H]2CC)C1=O ZINC001087790302 746341715 /nfs/dbraw/zinc/34/17/15/746341715.db2.gz DIASDZCLLXJODM-MJBXVCDLSA-N 1 1 346.435 0.103 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(F)c[nH]4)[C@@H]3C2)C1=O ZINC000978517651 746392380 /nfs/dbraw/zinc/39/23/80/746392380.db2.gz OURMVIQGOQRGAF-HGTKMLMNSA-N 1 1 346.406 0.848 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)ncn2)C1 ZINC001001461862 746402558 /nfs/dbraw/zinc/40/25/58/746402558.db2.gz DCPPYBDLACXVGX-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)ncn2)C1 ZINC001001461862 746402561 /nfs/dbraw/zinc/40/25/61/746402561.db2.gz DCPPYBDLACXVGX-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 ZINC000978527922 746407579 /nfs/dbraw/zinc/40/75/79/746407579.db2.gz SPHPOAVDLGGLBP-ZSOGYDGISA-N 1 1 325.376 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2cnsn2)CC1 ZINC001001491388 746429207 /nfs/dbraw/zinc/42/92/07/746429207.db2.gz IVDJNCQKRSHPDA-INIZCTEOSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2cnsn2)CC1 ZINC001001491388 746429208 /nfs/dbraw/zinc/42/92/08/746429208.db2.gz IVDJNCQKRSHPDA-INIZCTEOSA-N 1 1 347.488 0.964 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)cc1 ZINC000978578364 746457393 /nfs/dbraw/zinc/45/73/93/746457393.db2.gz CMWUHUNHLHJUHX-NNZMDNLPSA-N 1 1 337.423 0.808 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000984468616 746483374 /nfs/dbraw/zinc/48/33/74/746483374.db2.gz KXOGAIIRQCSSDS-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000984468616 746483376 /nfs/dbraw/zinc/48/33/76/746483376.db2.gz KXOGAIIRQCSSDS-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000984468618 746483445 /nfs/dbraw/zinc/48/34/45/746483445.db2.gz KXOGAIIRQCSSDS-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000984468618 746483449 /nfs/dbraw/zinc/48/34/49/746483449.db2.gz KXOGAIIRQCSSDS-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC000978714718 746628850 /nfs/dbraw/zinc/62/88/50/746628850.db2.gz GOEWKJRFJSKXNP-DZVNLGKHSA-N 1 1 344.459 0.848 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059397726 746634997 /nfs/dbraw/zinc/63/49/97/746634997.db2.gz XMPMOZLZXHIANJ-HOTGVXAUSA-N 1 1 335.448 0.331 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059397726 746634999 /nfs/dbraw/zinc/63/49/99/746634999.db2.gz XMPMOZLZXHIANJ-HOTGVXAUSA-N 1 1 335.448 0.331 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001027663362 746644677 /nfs/dbraw/zinc/64/46/77/746644677.db2.gz AMTLVFUGHPHULJ-HIFRSBDPSA-N 1 1 329.466 0.567 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)cc1 ZINC000978741718 746667716 /nfs/dbraw/zinc/66/77/16/746667716.db2.gz IJKDZMMJHVNCFI-JJTUDDRGSA-N 1 1 338.411 0.474 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C)c(C(N)=O)cn3)[C@@H]2C1 ZINC000978742019 746668348 /nfs/dbraw/zinc/66/83/48/746668348.db2.gz HDHIFJYDMFYYET-QKDCVEJESA-N 1 1 328.416 0.973 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001027666157 746670496 /nfs/dbraw/zinc/67/04/96/746670496.db2.gz BOUMGFQGJUYKBF-CYBMUJFWSA-N 1 1 341.843 0.566 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001027666157 746670500 /nfs/dbraw/zinc/67/05/00/746670500.db2.gz BOUMGFQGJUYKBF-CYBMUJFWSA-N 1 1 341.843 0.566 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccccn4)C[C@H]32)nn1 ZINC000978819004 746745578 /nfs/dbraw/zinc/74/55/78/746745578.db2.gz QEFOATGBMPGUGX-PHZGNYQRSA-N 1 1 338.415 0.967 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccnc(NC(C)=O)c3)[C@@H]2C1 ZINC000978872398 746806038 /nfs/dbraw/zinc/80/60/38/746806038.db2.gz XACBJEXXDAOLLZ-PHZGNYQRSA-N 1 1 326.400 0.971 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)COc2ccc(C(N)=O)cc2)C1 ZINC001027685149 746814530 /nfs/dbraw/zinc/81/45/30/746814530.db2.gz ISJJPMPNRCLIAV-HNNXBMFYSA-N 1 1 329.400 0.720 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@@H]2C1 ZINC001087984770 746832292 /nfs/dbraw/zinc/83/22/92/746832292.db2.gz PUXFEQXSKQVJLS-PMPSAXMXSA-N 1 1 335.448 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000978954512 746949910 /nfs/dbraw/zinc/94/99/10/746949910.db2.gz VGSDCYZHGSEDMX-LZWOXQAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000978954512 746949914 /nfs/dbraw/zinc/94/99/14/746949914.db2.gz VGSDCYZHGSEDMX-LZWOXQAQSA-N 1 1 343.431 0.440 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@@H]2C1 ZINC001087992279 746951192 /nfs/dbraw/zinc/95/11/92/746951192.db2.gz NIGBJNGNUGGHPU-PMPSAXMXSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@@H]2C1 ZINC001087992279 746951193 /nfs/dbraw/zinc/95/11/93/746951193.db2.gz NIGBJNGNUGGHPU-PMPSAXMXSA-N 1 1 338.473 0.757 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001059444084 746957853 /nfs/dbraw/zinc/95/78/53/746957853.db2.gz FVPMBDNTFSSCCP-XDQVBPFNSA-N 1 1 328.420 0.560 20 30 ECEDMO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001059446242 746980131 /nfs/dbraw/zinc/98/01/31/746980131.db2.gz NKNIEVHUAFYGLT-QHSBEEBCSA-N 1 1 342.403 0.271 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 ZINC001087997567 746983002 /nfs/dbraw/zinc/98/30/02/746983002.db2.gz MVBVHWHBWBZHHN-WOPDTQHZSA-N 1 1 340.811 0.117 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 ZINC001087997567 746983006 /nfs/dbraw/zinc/98/30/06/746983006.db2.gz MVBVHWHBWBZHHN-WOPDTQHZSA-N 1 1 340.811 0.117 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978992123 747003357 /nfs/dbraw/zinc/00/33/57/747003357.db2.gz DNVPNBRGJZZMTP-BJJXKVORSA-N 1 1 343.431 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)nc1 ZINC000979022563 747051581 /nfs/dbraw/zinc/05/15/81/747051581.db2.gz WPGUNCASRQBUBM-NGFQHRJXSA-N 1 1 326.400 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)C2CCOCC2)C1=O ZINC001027719801 747068679 /nfs/dbraw/zinc/06/86/79/747068679.db2.gz LLGWXIJVWCNZFP-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc(C)nc(CO)n2)C1 ZINC001059455877 747071767 /nfs/dbraw/zinc/07/17/67/747071767.db2.gz IHLCSUUNZYREIN-KKUMJFAQSA-N 1 1 343.431 0.434 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc(C)nc(CO)n2)C1 ZINC001059455877 747071774 /nfs/dbraw/zinc/07/17/74/747071774.db2.gz IHLCSUUNZYREIN-KKUMJFAQSA-N 1 1 343.431 0.434 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3COC)C[C@@H]2C1 ZINC001088018668 747074381 /nfs/dbraw/zinc/07/43/81/747074381.db2.gz GMYJNOKDEYIIIB-CABCVRRESA-N 1 1 330.432 0.984 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cnsn3)C2)nn1 ZINC000984901960 747080527 /nfs/dbraw/zinc/08/05/27/747080527.db2.gz DHVFVLJSZFUNND-XYPYZODXSA-N 1 1 333.421 0.614 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)n1 ZINC001059457641 747084190 /nfs/dbraw/zinc/08/41/90/747084190.db2.gz MNOCDBYRDXNKCW-AJNGGQMLSA-N 1 1 340.431 0.846 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C[C@@H]2C1 ZINC001088032489 747114089 /nfs/dbraw/zinc/11/40/89/747114089.db2.gz QXTCNMYNCFJXDK-PMPSAXMXSA-N 1 1 332.448 0.581 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088032590 747115459 /nfs/dbraw/zinc/11/54/59/747115459.db2.gz VRURZNRGSVJTBO-XHSDSOJGSA-N 1 1 338.473 0.615 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C(N)=O)n3)[C@@H]2C1 ZINC000979121269 747217534 /nfs/dbraw/zinc/21/75/34/747217534.db2.gz WCZGIGINPLYLAH-CNDDSTCGSA-N 1 1 334.807 0.841 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)c3snnc3C)CC2)C1=O ZINC001002323178 747218484 /nfs/dbraw/zinc/21/84/84/747218484.db2.gz SHPLCGDKKXVUFW-ZDUSSCGKSA-N 1 1 349.460 0.828 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C(N)=O)ccn3)[C@@H]2C1 ZINC000979126618 747224865 /nfs/dbraw/zinc/22/48/65/747224865.db2.gz ABIHDCNDDDCZCA-XYYAHUGASA-N 1 1 334.807 0.841 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccns2)C1 ZINC001002341063 747233066 /nfs/dbraw/zinc/23/30/66/747233066.db2.gz CFHRKIFKZSKOHS-ZDUSSCGKSA-N 1 1 332.429 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccns2)C1 ZINC001002341063 747233073 /nfs/dbraw/zinc/23/30/73/747233073.db2.gz CFHRKIFKZSKOHS-ZDUSSCGKSA-N 1 1 332.429 0.429 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cc[n+]([O-])cc3)[C@@H](O)C2)cc1 ZINC001083326170 752166797 /nfs/dbraw/zinc/16/67/97/752166797.db2.gz RIJUDRMRYOWEGZ-SJORKVTESA-N 1 1 338.367 0.167 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cc[n+]([O-])cc3)[C@@H](O)C2)cc1 ZINC001083326170 752166801 /nfs/dbraw/zinc/16/68/01/752166801.db2.gz RIJUDRMRYOWEGZ-SJORKVTESA-N 1 1 338.367 0.167 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001027742819 747327038 /nfs/dbraw/zinc/32/70/38/747327038.db2.gz WVSOAHQRDXGFRD-HOTGVXAUSA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001027742819 747327044 /nfs/dbraw/zinc/32/70/44/747327044.db2.gz WVSOAHQRDXGFRD-HOTGVXAUSA-N 1 1 344.415 0.301 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@H](O)C(C)C ZINC001002458955 747376705 /nfs/dbraw/zinc/37/67/05/747376705.db2.gz WMRSOYLXYGTKSA-YESZJQIVSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@H](O)C(C)C ZINC001002458955 747376713 /nfs/dbraw/zinc/37/67/13/747376713.db2.gz WMRSOYLXYGTKSA-YESZJQIVSA-N 1 1 349.475 0.550 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C[C@@H]2C1 ZINC001088137099 747472192 /nfs/dbraw/zinc/47/21/92/747472192.db2.gz YCDGIGSRQZHKCF-QLFBSQMISA-N 1 1 341.477 0.377 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N(CCO)CCNc1ccncc1C#N ZINC001111582750 752183992 /nfs/dbraw/zinc/18/39/92/752183992.db2.gz LORRNARSQYUHKY-MRXNPFEDSA-N 1 1 345.447 0.482 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncccn1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979287115 747539048 /nfs/dbraw/zinc/53/90/48/747539048.db2.gz DGDPIMBZNBWWGA-DOMZBBRYSA-N 1 1 340.387 0.696 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(=O)NC)nc3)C[C@@H]2C1 ZINC001088173632 747682619 /nfs/dbraw/zinc/68/26/19/747682619.db2.gz KTKSRSVAFLVAQC-CVEARBPZSA-N 1 1 340.427 0.858 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]2C1 ZINC001088177996 747684336 /nfs/dbraw/zinc/68/43/36/747684336.db2.gz LXHVNDANEKNKRZ-CVEARBPZSA-N 1 1 328.416 0.355 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000985339011 747739763 /nfs/dbraw/zinc/73/97/63/747739763.db2.gz OXYNESNBHNBQAK-ZIAGYGMSSA-N 1 1 341.477 0.894 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C[C@@H]2C1 ZINC001088209084 747750664 /nfs/dbraw/zinc/75/06/64/747750664.db2.gz GBMXIKIOPLNXJP-ZACQAIPSSA-N 1 1 341.459 0.953 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)CN3CN=NC3=O)CC2)C1 ZINC001088231281 747781057 /nfs/dbraw/zinc/78/10/57/747781057.db2.gz NLJVANLJRMPFET-OAHLLOKOSA-N 1 1 349.435 0.499 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)C1 ZINC001002791629 747791823 /nfs/dbraw/zinc/79/18/23/747791823.db2.gz QNFSELKHWJFYJV-NHIYQJMISA-N 1 1 341.415 0.700 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001088234122 747802769 /nfs/dbraw/zinc/80/27/69/747802769.db2.gz JEQRMMJTBVHFPG-MRXNPFEDSA-N 1 1 348.451 0.579 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000985381069 747838317 /nfs/dbraw/zinc/83/83/17/747838317.db2.gz PVPGSVBUTYFMJR-OAHLLOKOSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 ZINC001088237217 747841923 /nfs/dbraw/zinc/84/19/23/747841923.db2.gz NJJJEIVZNAPIQE-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2conc2CC)C1 ZINC001002835149 747855826 /nfs/dbraw/zinc/85/58/26/747855826.db2.gz LXFILOTZLREAKH-INIZCTEOSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2conc2CC)C1 ZINC001002835149 747855840 /nfs/dbraw/zinc/85/58/40/747855840.db2.gz LXFILOTZLREAKH-INIZCTEOSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001002835824 747857833 /nfs/dbraw/zinc/85/78/33/747857833.db2.gz QDVIFWOMUBZSOR-IKGGRYGDSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001002835824 747857840 /nfs/dbraw/zinc/85/78/40/747857840.db2.gz QDVIFWOMUBZSOR-IKGGRYGDSA-N 1 1 347.459 0.474 20 30 ECEDMO C[N@@H+](C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000985391420 747888204 /nfs/dbraw/zinc/88/82/04/747888204.db2.gz NYQYLOWKTVNGMS-CQSZACIVSA-N 1 1 343.387 0.228 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cnsn3)C2)C1=O ZINC001029658564 747991983 /nfs/dbraw/zinc/99/19/83/747991983.db2.gz GKELMAYBLGBTRI-GXTWGEPZSA-N 1 1 349.460 0.719 20 30 ECEDMO CN(C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001027813633 748008267 /nfs/dbraw/zinc/00/82/67/748008267.db2.gz XTKZAPGJKFCGAZ-AWEZNQCLSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001027813633 748008273 /nfs/dbraw/zinc/00/82/73/748008273.db2.gz XTKZAPGJKFCGAZ-AWEZNQCLSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3ccnn3C)C2)C1=O ZINC001029672023 748023525 /nfs/dbraw/zinc/02/35/25/748023525.db2.gz XNOBJRGVEZLSRW-GJZGRUSLSA-N 1 1 345.447 0.601 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2C[C@@H]2CCc3ncnn32)c1 ZINC001027815634 748026070 /nfs/dbraw/zinc/02/60/70/748026070.db2.gz YKCSNLVXDPVMQR-KBPBESRZSA-N 1 1 339.403 0.860 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001029708412 748109667 /nfs/dbraw/zinc/10/96/67/748109667.db2.gz QISPUGLOQGMXCF-DOMZBBRYSA-N 1 1 329.404 0.511 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC000979623063 748115577 /nfs/dbraw/zinc/11/55/77/748115577.db2.gz VYXQRYLVTLSWAR-BFHYXJOUSA-N 1 1 329.404 0.463 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC000979614152 748122844 /nfs/dbraw/zinc/12/28/44/748122844.db2.gz IMZQROMMXQFZIK-SOUVJXGZSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000979615114 748123234 /nfs/dbraw/zinc/12/32/34/748123234.db2.gz VDLUFUNDAGMRFZ-UMVBOHGHSA-N 1 1 343.431 0.853 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029712295 748139323 /nfs/dbraw/zinc/13/93/23/748139323.db2.gz PAKAGIDWAZMNHY-RYUDHWBXSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029712295 748139331 /nfs/dbraw/zinc/13/93/31/748139331.db2.gz PAKAGIDWAZMNHY-RYUDHWBXSA-N 1 1 342.407 0.565 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001059553032 748259522 /nfs/dbraw/zinc/25/95/22/748259522.db2.gz KJKGSJLZIZTNBG-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001059553032 748259524 /nfs/dbraw/zinc/25/95/24/748259524.db2.gz KJKGSJLZIZTNBG-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(CCOC)nn3)C[C@H]2C1 ZINC000979730561 748303671 /nfs/dbraw/zinc/30/36/71/748303671.db2.gz WSFBFGNUVHKMBT-KKUMJFAQSA-N 1 1 333.436 0.941 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)c3cncn3C)C2)C1=O ZINC001029778495 748348471 /nfs/dbraw/zinc/34/84/71/748348471.db2.gz JRDUVLWNJZBELT-HUUCEWRRSA-N 1 1 345.447 0.601 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C[C@@H]2CCc3ncnn32)c[nH]1 ZINC001027835418 748383108 /nfs/dbraw/zinc/38/31/08/748383108.db2.gz CHEAHYZWZVUASJ-CABCVRRESA-N 1 1 339.403 0.860 20 30 ECEDMO C#CC[N@@H+](C)C1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC000985522947 748397876 /nfs/dbraw/zinc/39/78/76/748397876.db2.gz JXGORZSOQXIUOB-UHFFFAOYSA-N 1 1 332.448 0.931 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC000985522947 748397885 /nfs/dbraw/zinc/39/78/85/748397885.db2.gz JXGORZSOQXIUOB-UHFFFAOYSA-N 1 1 332.448 0.931 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001029800060 748468147 /nfs/dbraw/zinc/46/81/47/748468147.db2.gz JDJPGXUKBREVLV-IAGOWNOFSA-N 1 1 340.427 0.975 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC001003467782 748585182 /nfs/dbraw/zinc/58/51/82/748585182.db2.gz NIVPMOIQDXHSEM-HNNXBMFYSA-N 1 1 340.427 0.593 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007319418 752287103 /nfs/dbraw/zinc/28/71/03/752287103.db2.gz HXFZHNJTJRVEHV-KBPBESRZSA-N 1 1 331.420 0.919 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C#C)cc2)C1 ZINC001003536772 748656976 /nfs/dbraw/zinc/65/69/76/748656976.db2.gz YIPZOZHCIKBGNE-IBGZPJMESA-N 1 1 349.434 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C#C)cc2)C1 ZINC001003536772 748656981 /nfs/dbraw/zinc/65/69/81/748656981.db2.gz YIPZOZHCIKBGNE-IBGZPJMESA-N 1 1 349.434 0.954 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn4c(n3)COCC4)C[C@@H]2C1 ZINC000979984387 748779388 /nfs/dbraw/zinc/77/93/88/748779388.db2.gz GQQSZSMWAXVUHH-RRFJBIMHSA-N 1 1 328.416 0.877 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC000985660251 748828022 /nfs/dbraw/zinc/82/80/22/748828022.db2.gz FUQMKRDDDJIZCG-ILXRZTDVSA-N 1 1 349.431 0.306 20 30 ECEDMO C=CCCO[C@H](C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817213 748882189 /nfs/dbraw/zinc/88/21/89/748882189.db2.gz BCYUEAQTMGUHOH-OAHLLOKOSA-N 1 1 343.468 0.247 20 30 ECEDMO C=CCOCCCC(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817523 748889234 /nfs/dbraw/zinc/88/92/34/748889234.db2.gz KOKSOVDPGVPLHW-UHFFFAOYSA-N 1 1 343.468 0.248 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4ncccn4n3)C2)nn1 ZINC001105345528 748895711 /nfs/dbraw/zinc/89/57/11/748895711.db2.gz FQMSBIVZZLNCNS-UHFFFAOYSA-N 1 1 338.375 0.294 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2n[nH]cc2C)C1=O ZINC001027876125 748959458 /nfs/dbraw/zinc/95/94/58/748959458.db2.gz FTHSEPKEOVNPGV-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2n[nH]cc2C)C1=O ZINC001027876125 748959462 /nfs/dbraw/zinc/95/94/62/748959462.db2.gz FTHSEPKEOVNPGV-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cnns3)C2)nn1 ZINC001029860187 748963090 /nfs/dbraw/zinc/96/30/90/748963090.db2.gz NSFLMONEWCCNFY-GFCCVEGCSA-N 1 1 347.448 0.910 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cnns3)C2)nn1 ZINC001029860187 748963097 /nfs/dbraw/zinc/96/30/97/748963097.db2.gz NSFLMONEWCCNFY-GFCCVEGCSA-N 1 1 347.448 0.910 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027879562 748979709 /nfs/dbraw/zinc/97/97/09/748979709.db2.gz UUFNJDXETZQSGZ-KBPBESRZSA-N 1 1 331.420 0.919 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3nncn3C)CC2)nc1 ZINC000985759225 749025248 /nfs/dbraw/zinc/02/52/48/749025248.db2.gz FMZSYWHWQWMLOB-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3nncn3C)CC2)nc1 ZINC000985759225 749025252 /nfs/dbraw/zinc/02/52/52/749025252.db2.gz FMZSYWHWQWMLOB-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCCNC3=O)C[C@@H]2C1 ZINC000980141140 749053034 /nfs/dbraw/zinc/05/30/34/749053034.db2.gz MFRNMGVDJYKGNW-XHSDSOJGSA-N 1 1 332.448 0.642 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000985771111 749054750 /nfs/dbraw/zinc/05/47/50/749054750.db2.gz CXAAVUOFLAYSNU-OAHLLOKOSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001059646057 749093186 /nfs/dbraw/zinc/09/31/86/749093186.db2.gz LXBUDNCCCGSRNA-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC000980164052 749096695 /nfs/dbraw/zinc/09/66/95/749096695.db2.gz NOSHFZMHVHAXHJ-KKUMJFAQSA-N 1 1 344.415 0.189 20 30 ECEDMO NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC000980184288 749132662 /nfs/dbraw/zinc/13/26/62/749132662.db2.gz HBFDQNYDDCVVCI-IXDOHACOSA-N 1 1 325.412 0.740 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@@H]3C2)c1 ZINC000980186642 749138302 /nfs/dbraw/zinc/13/83/02/749138302.db2.gz OGRUVGBXFMWJBW-ARFHVFGLSA-N 1 1 326.400 0.760 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001059654358 749149162 /nfs/dbraw/zinc/14/91/62/749149162.db2.gz CIEZGMORSMPCAY-ZNMIVQPWSA-N 1 1 329.404 0.733 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001059654358 749149166 /nfs/dbraw/zinc/14/91/66/749149166.db2.gz CIEZGMORSMPCAY-ZNMIVQPWSA-N 1 1 329.404 0.733 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC000985822531 749170860 /nfs/dbraw/zinc/17/08/60/749170860.db2.gz GGSNDYRIGIIBLU-IKGGRYGDSA-N 1 1 329.444 0.801 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC000980207390 749185817 /nfs/dbraw/zinc/18/58/17/749185817.db2.gz JHLGYQWVNAJTHH-SOUVJXGZSA-N 1 1 348.447 0.673 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]2C1 ZINC000980203064 749196177 /nfs/dbraw/zinc/19/61/77/749196177.db2.gz DWQRPAFOQFRQCK-IHRRRGAJSA-N 1 1 344.415 0.589 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]2C1 ZINC000980213966 749207753 /nfs/dbraw/zinc/20/77/53/749207753.db2.gz YNXVGOGGZZBVDT-NWANDNLSSA-N 1 1 328.416 0.967 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000980238239 749241772 /nfs/dbraw/zinc/24/17/72/749241772.db2.gz VMCOAGOGMVCJMV-BFHYXJOUSA-N 1 1 348.447 0.720 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 ZINC000980239928 749243693 /nfs/dbraw/zinc/24/36/93/749243693.db2.gz BQOOYIVXCNIFNI-ZNMIVQPWSA-N 1 1 348.447 0.673 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC000980253955 749260149 /nfs/dbraw/zinc/26/01/49/749260149.db2.gz OBHIOJHOWWKFGN-ZNMIVQPWSA-N 1 1 331.416 0.375 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CCNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001059674120 749334606 /nfs/dbraw/zinc/33/46/06/749334606.db2.gz JHZGRPBMDLPWGZ-ZFWWWQNUSA-N 1 1 343.431 0.806 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cnn(C)n3)C2)nc1 ZINC001029889621 749443695 /nfs/dbraw/zinc/44/36/95/749443695.db2.gz JZMIHRDYVCJIQU-HNNXBMFYSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cnn(C)n3)C2)nc1 ZINC001029889621 749443700 /nfs/dbraw/zinc/44/37/00/749443700.db2.gz JZMIHRDYVCJIQU-HNNXBMFYSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cnnn3C)C2)nc1 ZINC001029889922 749448516 /nfs/dbraw/zinc/44/85/16/749448516.db2.gz SKFOYQKNJMXQPX-OAHLLOKOSA-N 1 1 338.415 0.786 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)on3)[C@H]2C)C1=O ZINC001088458570 749456913 /nfs/dbraw/zinc/45/69/13/749456913.db2.gz GROAJEQBJXTOEZ-VNHYZAJKSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)on3)[C@H]2C)C1=O ZINC001088458570 749456917 /nfs/dbraw/zinc/45/69/17/749456917.db2.gz GROAJEQBJXTOEZ-VNHYZAJKSA-N 1 1 332.404 0.963 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@H]2CCC[N@@H+]2Cc2nnn(C)n2)CC1 ZINC001004398457 749465594 /nfs/dbraw/zinc/46/55/94/749465594.db2.gz SXENJTWZMWHFGA-TZMCWYRMSA-N 1 1 331.424 0.573 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@H]2CCC[N@H+]2Cc2nnn(C)n2)CC1 ZINC001004398457 749465601 /nfs/dbraw/zinc/46/56/01/749465601.db2.gz SXENJTWZMWHFGA-TZMCWYRMSA-N 1 1 331.424 0.573 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001004459869 749527215 /nfs/dbraw/zinc/52/72/15/749527215.db2.gz XGWWCEXNSKFBHY-LSDHHAIUSA-N 1 1 348.447 0.864 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001004460654 749528245 /nfs/dbraw/zinc/52/82/45/749528245.db2.gz UEUWULDBFMLMJI-RISCZKNCSA-N 1 1 329.404 0.272 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCCN3CC#N)CC2)O1 ZINC001004469828 749537711 /nfs/dbraw/zinc/53/77/11/749537711.db2.gz QLSPLSVRKJWRQH-HYVNUMGLSA-N 1 1 334.464 0.932 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3CCCN3CC#N)CC2)O1 ZINC001004469828 749537716 /nfs/dbraw/zinc/53/77/16/749537716.db2.gz QLSPLSVRKJWRQH-HYVNUMGLSA-N 1 1 334.464 0.932 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001004475418 749545264 /nfs/dbraw/zinc/54/52/64/749545264.db2.gz GQXIVVCMENMOOB-HNNXBMFYSA-N 1 1 344.415 0.285 20 30 ECEDMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000986112180 749560492 /nfs/dbraw/zinc/56/04/92/749560492.db2.gz ALCQUGACFHCUHI-MFKMUULPSA-N 1 1 340.391 0.601 20 30 ECEDMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000986112172 749560609 /nfs/dbraw/zinc/56/06/09/749560609.db2.gz ALCQUGACFHCUHI-GWCFXTLKSA-N 1 1 340.391 0.601 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3ccc[nH]3)C2)C1=O ZINC000980453505 749585866 /nfs/dbraw/zinc/58/58/66/749585866.db2.gz BBKFCNCMVQBMNB-JKSUJKDBSA-N 1 1 330.432 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001004523505 749595106 /nfs/dbraw/zinc/59/51/06/749595106.db2.gz FTPVSWUQSDEDEO-IKGGRYGDSA-N 1 1 345.443 0.250 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001004523505 749595113 /nfs/dbraw/zinc/59/51/13/749595113.db2.gz FTPVSWUQSDEDEO-IKGGRYGDSA-N 1 1 345.443 0.250 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000986138821 749603945 /nfs/dbraw/zinc/60/39/45/749603945.db2.gz ZMGUMRBAAWLLGW-AAEUAGOBSA-N 1 1 327.392 0.891 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001004536684 749604460 /nfs/dbraw/zinc/60/44/60/749604460.db2.gz ZIBQMIUCYMWCKF-IMJJTQAJSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001004541761 749606785 /nfs/dbraw/zinc/60/67/85/749606785.db2.gz RFVJMGGRONPIKY-OAGGEKHMSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](CC)NC(C)=O)C2)nn1 ZINC001098741314 749610350 /nfs/dbraw/zinc/61/03/50/749610350.db2.gz YONZPTNTYNYCPP-LSDHHAIUSA-N 1 1 334.424 0.242 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)[C@@H](CC)C(N)=O)C2)CC1 ZINC000980477665 749630235 /nfs/dbraw/zinc/63/02/35/749630235.db2.gz IROBMFWYXHUVTN-HOTGVXAUSA-N 1 1 334.464 0.128 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)n1 ZINC000986183286 749642615 /nfs/dbraw/zinc/64/26/15/749642615.db2.gz KWDRIBAEBQROIX-BXUZGUMPSA-N 1 1 327.392 0.891 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000986188904 749646872 /nfs/dbraw/zinc/64/68/72/749646872.db2.gz VCEVSYUSVMPYLP-SMDDNHRTSA-N 1 1 342.407 0.676 20 30 ECEDMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)CCN1C(=O)C#CC1CC1 ZINC000986277948 749745838 /nfs/dbraw/zinc/74/58/38/749745838.db2.gz JXNKMHJOGDWGCD-OCCSQVGLSA-N 1 1 330.436 0.921 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000980576461 749803636 /nfs/dbraw/zinc/80/36/36/749803636.db2.gz PDACGPRYXMLNGQ-HHARLNAUSA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C3CCOCC3)CC2)C1=O ZINC000980613321 749862763 /nfs/dbraw/zinc/86/27/63/749862763.db2.gz UIGKIRPWRVNKTC-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C3CCOCC3)CC2)C1=O ZINC000980613321 749862769 /nfs/dbraw/zinc/86/27/69/749862769.db2.gz UIGKIRPWRVNKTC-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC000980640194 749887418 /nfs/dbraw/zinc/88/74/18/749887418.db2.gz SXPKTUVMHFIPPS-FPCVCCKLSA-N 1 1 329.444 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC000980640194 749887423 /nfs/dbraw/zinc/88/74/23/749887423.db2.gz SXPKTUVMHFIPPS-FPCVCCKLSA-N 1 1 329.444 0.895 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111603024 750073177 /nfs/dbraw/zinc/07/31/77/750073177.db2.gz ZMYCWVBCHKGBIW-ZQIUZPCESA-N 1 1 348.472 0.352 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111603024 750073183 /nfs/dbraw/zinc/07/31/83/750073183.db2.gz ZMYCWVBCHKGBIW-ZQIUZPCESA-N 1 1 348.472 0.352 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCC1 ZINC001058849223 750149160 /nfs/dbraw/zinc/14/91/60/750149160.db2.gz PJKXWGSJGACGRX-JKSUJKDBSA-N 1 1 349.475 0.315 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001030184755 762014699 /nfs/dbraw/zinc/01/46/99/762014699.db2.gz XPTASQYXSZAWBM-INIZCTEOSA-N 1 1 332.379 0.328 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001030184755 762014709 /nfs/dbraw/zinc/01/47/09/762014709.db2.gz XPTASQYXSZAWBM-INIZCTEOSA-N 1 1 332.379 0.328 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000986600192 750177298 /nfs/dbraw/zinc/17/72/98/750177298.db2.gz YDBOLHACSZCLLJ-ZNMIVQPWSA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088505340 750186991 /nfs/dbraw/zinc/18/69/91/750186991.db2.gz FHTBWYIAOAXSQP-FHLIZLRMSA-N 1 1 342.443 0.968 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001058850275 750192226 /nfs/dbraw/zinc/19/22/26/750192226.db2.gz KDEGXVRFRVWJGU-CYBMUJFWSA-N 1 1 326.441 0.061 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001098635950 750201601 /nfs/dbraw/zinc/20/16/01/750201601.db2.gz ANYMHBAMAGLASZ-KBPBESRZSA-N 1 1 330.436 0.951 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001028012255 750370231 /nfs/dbraw/zinc/37/02/31/750370231.db2.gz IUPRTTKTAJPSDA-CQSZACIVSA-N 1 1 334.420 0.660 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)cc1F ZINC001028072970 750488206 /nfs/dbraw/zinc/48/82/06/750488206.db2.gz PLOHIRNYGNGOTO-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)cc1F ZINC001028072970 750488210 /nfs/dbraw/zinc/48/82/10/750488210.db2.gz PLOHIRNYGNGOTO-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)cc1 ZINC001028072188 750495372 /nfs/dbraw/zinc/49/53/72/750495372.db2.gz IYTZFRARPFKZPP-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nonc3C)[C@H]2C)nn1 ZINC000987171771 750545586 /nfs/dbraw/zinc/54/55/86/750545586.db2.gz XLPVJEWYAAFOLZ-OLZOCXBDSA-N 1 1 345.407 0.938 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ncccn2)CC1 ZINC000981361478 750625323 /nfs/dbraw/zinc/62/53/23/750625323.db2.gz OUNXMIOLWZFUDF-INIZCTEOSA-N 1 1 327.432 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ncccn2)CC1 ZINC000981361478 750625328 /nfs/dbraw/zinc/62/53/28/750625328.db2.gz OUNXMIOLWZFUDF-INIZCTEOSA-N 1 1 327.432 0.609 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001005804125 750655594 /nfs/dbraw/zinc/65/55/94/750655594.db2.gz LNZZWCWOMVMVCR-NHYWBVRUSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCCN(CCOC)c1cc(C)[nH+]c(C)n1 ZINC001126312125 750727771 /nfs/dbraw/zinc/72/77/71/750727771.db2.gz PTKVHNDCRZNVTC-KRWDZBQOSA-N 1 1 336.436 0.990 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H](NCc3cnon3)C2)CC1 ZINC000981539877 750789463 /nfs/dbraw/zinc/78/94/63/750789463.db2.gz AFLLKYPQSPZQHO-JKSUJKDBSA-N 1 1 345.447 0.932 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001005945596 750830568 /nfs/dbraw/zinc/83/05/68/750830568.db2.gz NWBVYILSEXQAIU-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cocn2)C1 ZINC000981624954 750897373 /nfs/dbraw/zinc/89/73/73/750897373.db2.gz CAZXRIQNGXVHSV-LZWOXQAQSA-N 1 1 344.415 0.787 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cocn2)C1 ZINC000981624954 750897383 /nfs/dbraw/zinc/89/73/83/750897383.db2.gz CAZXRIQNGXVHSV-LZWOXQAQSA-N 1 1 344.415 0.787 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)[C@H](C)OC)C3)C2)C1=O ZINC000981651004 750919152 /nfs/dbraw/zinc/91/91/52/750919152.db2.gz BAKKSVLFYMYVLG-GJZGRUSLSA-N 1 1 335.448 0.733 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CCCN1C(=O)CNC1=O)C2 ZINC000981669622 750948651 /nfs/dbraw/zinc/94/86/51/750948651.db2.gz QQTWPZIAMHJYCC-ZDUSSCGKSA-N 1 1 347.419 0.012 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2CCCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000981672079 750952255 /nfs/dbraw/zinc/95/22/55/750952255.db2.gz MWIGGEOLWXCTNC-ZDUSSCGKSA-N 1 1 330.436 0.979 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)[C@@H]2C)CC1 ZINC000987567626 750970246 /nfs/dbraw/zinc/97/02/46/750970246.db2.gz FTORQFCKXOCGAV-DOTOQJQBSA-N 1 1 344.463 0.202 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CCC[N@H+]([C@H]2CCNC2=O)C3)c1 ZINC000981694797 750981054 /nfs/dbraw/zinc/98/10/54/750981054.db2.gz KCMQHBXEZHLDFV-AWEZNQCLSA-N 1 1 327.388 0.313 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000981722076 751014154 /nfs/dbraw/zinc/01/41/54/751014154.db2.gz JXQSNSRLXHRYFQ-UHFFFAOYSA-N 1 1 339.403 0.753 20 30 ECEDMO Cn1nncc1C[N@H+]1CCCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000981722076 751014158 /nfs/dbraw/zinc/01/41/58/751014158.db2.gz JXQSNSRLXHRYFQ-UHFFFAOYSA-N 1 1 339.403 0.753 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001006110429 751023628 /nfs/dbraw/zinc/02/36/28/751023628.db2.gz CDYFRJWEJJLSOG-VXGBXAGGSA-N 1 1 329.404 0.415 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000987620136 751041455 /nfs/dbraw/zinc/04/14/55/751041455.db2.gz DUJGRKQSPZYSIX-GUTXKFCHSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1=O ZINC000981790529 751106473 /nfs/dbraw/zinc/10/64/73/751106473.db2.gz YNEIXWWENZNYCG-QXSJWSMHSA-N 1 1 333.432 0.200 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1=O ZINC000981790529 751106475 /nfs/dbraw/zinc/10/64/75/751106475.db2.gz YNEIXWWENZNYCG-QXSJWSMHSA-N 1 1 333.432 0.200 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)C(=O)NC)C2 ZINC000981819229 751135472 /nfs/dbraw/zinc/13/54/72/751135472.db2.gz SOPFYVWRPAGXCX-HOTGVXAUSA-N 1 1 346.475 0.143 20 30 ECEDMO C=CCCOCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059831065 751169430 /nfs/dbraw/zinc/16/94/30/751169430.db2.gz MFGHSFUDENFAAK-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001028136349 751173613 /nfs/dbraw/zinc/17/36/13/751173613.db2.gz NCWYAQKFIIIJFU-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001028140734 751196168 /nfs/dbraw/zinc/19/61/68/751196168.db2.gz WNAGQRHXSCEKQR-KFWWJZLASA-N 1 1 344.390 0.899 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001028140734 751196172 /nfs/dbraw/zinc/19/61/72/751196172.db2.gz WNAGQRHXSCEKQR-KFWWJZLASA-N 1 1 344.390 0.899 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000981853742 751202712 /nfs/dbraw/zinc/20/27/12/751202712.db2.gz UUQGSZVVBRHQOR-CYBMUJFWSA-N 1 1 329.404 0.104 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC000987806343 751211214 /nfs/dbraw/zinc/21/12/14/751211214.db2.gz NATALILVTBLJGI-PMPSAXMXSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC000987806343 751211221 /nfs/dbraw/zinc/21/12/21/751211221.db2.gz NATALILVTBLJGI-PMPSAXMXSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cccnn2)C1 ZINC001006312199 751230379 /nfs/dbraw/zinc/23/03/79/751230379.db2.gz CPCKKSBOOZNFHY-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cccnn2)C1 ZINC001006312199 751230381 /nfs/dbraw/zinc/23/03/81/751230381.db2.gz CPCKKSBOOZNFHY-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccncc2)C1 ZINC001006315412 751235481 /nfs/dbraw/zinc/23/54/81/751235481.db2.gz GWABLACDAVFCEY-PBHICJAKSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccncc2)C1 ZINC001006315412 751235486 /nfs/dbraw/zinc/23/54/86/751235486.db2.gz GWABLACDAVFCEY-PBHICJAKSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2csnn2)C1 ZINC001006315552 751236420 /nfs/dbraw/zinc/23/64/20/751236420.db2.gz PLRLKLKPBBRUSK-RISCZKNCSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2csnn2)C1 ZINC001006315552 751236424 /nfs/dbraw/zinc/23/64/24/751236424.db2.gz PLRLKLKPBBRUSK-RISCZKNCSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccco2)C1 ZINC001006318973 751240924 /nfs/dbraw/zinc/24/09/24/751240924.db2.gz KIITUHLNHUHMPD-ZFWWWQNUSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccco2)C1 ZINC001006318973 751240928 /nfs/dbraw/zinc/24/09/28/751240928.db2.gz KIITUHLNHUHMPD-ZFWWWQNUSA-N 1 1 329.400 0.954 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)c4cnco4)C3)C2)C1=O ZINC000981924143 751277921 /nfs/dbraw/zinc/27/79/21/751277921.db2.gz YEYDXQHDECQDCW-CQSZACIVSA-N 1 1 344.415 1.000 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001028301848 752332338 /nfs/dbraw/zinc/33/23/38/752332338.db2.gz VKHNSLLGVKXAKT-AWEZNQCLSA-N 1 1 326.404 0.959 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001028301848 752332344 /nfs/dbraw/zinc/33/23/44/752332344.db2.gz VKHNSLLGVKXAKT-AWEZNQCLSA-N 1 1 326.404 0.959 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C3CC3)C2)cn1 ZINC001020948066 752374517 /nfs/dbraw/zinc/37/45/17/752374517.db2.gz SANBHYDDQJFZGJ-HDJSIYSDSA-N 1 1 337.387 0.435 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000988615013 752384340 /nfs/dbraw/zinc/38/43/40/752384340.db2.gz VTUBJTBTOWMBBQ-BXUZGUMPSA-N 1 1 342.407 0.847 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccncc1C#N ZINC001126356222 752386282 /nfs/dbraw/zinc/38/62/82/752386282.db2.gz XUVXIADWILVSHJ-AWEZNQCLSA-N 1 1 331.420 0.474 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000988624619 752402974 /nfs/dbraw/zinc/40/29/74/752402974.db2.gz JIEMEWABQLQSRK-HIFRSBDPSA-N 1 1 336.436 0.174 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000988624619 752402976 /nfs/dbraw/zinc/40/29/76/752402976.db2.gz JIEMEWABQLQSRK-HIFRSBDPSA-N 1 1 336.436 0.174 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001212024111 752417734 /nfs/dbraw/zinc/41/77/34/752417734.db2.gz JZFBHOOYEQBPOY-ARFHVFGLSA-N 1 1 326.437 0.964 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)n1C ZINC000988649996 752469601 /nfs/dbraw/zinc/46/96/01/752469601.db2.gz DEGDZUBWGOTYCQ-YPMHNXCESA-N 1 1 341.419 0.970 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cn(CC)nn2)C1 ZINC001007519058 752474728 /nfs/dbraw/zinc/47/47/28/752474728.db2.gz IBVAQKLBFVLPSI-WBVHZDCISA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cn(CC)nn2)C1 ZINC001007519058 752474731 /nfs/dbraw/zinc/47/47/31/752474731.db2.gz IBVAQKLBFVLPSI-WBVHZDCISA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnns2)C1 ZINC001007518496 752474803 /nfs/dbraw/zinc/47/48/03/752474803.db2.gz CATOAVAEOIRBBF-HIFRSBDPSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnns2)C1 ZINC001007518496 752474804 /nfs/dbraw/zinc/47/48/04/752474804.db2.gz CATOAVAEOIRBBF-HIFRSBDPSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2csnn2)C1 ZINC001007519186 752475932 /nfs/dbraw/zinc/47/59/32/752475932.db2.gz KPPRESMDBURPDZ-HIFRSBDPSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2csnn2)C1 ZINC001007519186 752475934 /nfs/dbraw/zinc/47/59/34/752475934.db2.gz KPPRESMDBURPDZ-HIFRSBDPSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(=O)N(C)C2CC2)C1 ZINC001007519087 752476033 /nfs/dbraw/zinc/47/60/33/752476033.db2.gz IRWVZKMYQWPGBZ-RDJZCZTQSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(=O)N(C)C2CC2)C1 ZINC001007519087 752476036 /nfs/dbraw/zinc/47/60/36/752476036.db2.gz IRWVZKMYQWPGBZ-RDJZCZTQSA-N 1 1 346.475 0.285 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000988657502 752494475 /nfs/dbraw/zinc/49/44/75/752494475.db2.gz UOONAZOYHIDENJ-YPMHNXCESA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC000982495689 752524702 /nfs/dbraw/zinc/52/47/02/752524702.db2.gz RVJZYGRIEQGVHZ-OCCSQVGLSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC000982495689 752524709 /nfs/dbraw/zinc/52/47/09/752524709.db2.gz RVJZYGRIEQGVHZ-OCCSQVGLSA-N 1 1 347.444 0.214 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)C3=COCCO3)C2)C1=O ZINC001028391894 752529347 /nfs/dbraw/zinc/52/93/47/752529347.db2.gz MLSWBFPOUGLWBF-ZIAGYGMSSA-N 1 1 335.404 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cncs2)C1 ZINC000982500588 752563469 /nfs/dbraw/zinc/56/34/69/752563469.db2.gz UTRLHLKJORUYLC-KBPBESRZSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cncs2)C1 ZINC000982500588 752563474 /nfs/dbraw/zinc/56/34/74/752563474.db2.gz UTRLHLKJORUYLC-KBPBESRZSA-N 1 1 346.456 0.819 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nc2ccsc2c(=O)[nH]1 ZINC001126366038 752565822 /nfs/dbraw/zinc/56/58/22/752565822.db2.gz PTNOKXHRBAPHHP-HNNXBMFYSA-N 1 1 336.417 0.930 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001028417088 752599418 /nfs/dbraw/zinc/59/94/18/752599418.db2.gz DQOQZCWMABVYNW-XJKSGUPXSA-N 1 1 345.447 0.811 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cnns3)C2)C1=O ZINC001028424653 752612297 /nfs/dbraw/zinc/61/22/97/752612297.db2.gz SPYKJZCABMSVEC-VXGBXAGGSA-N 1 1 335.433 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@@H]1C ZINC000988739255 752641867 /nfs/dbraw/zinc/64/18/67/752641867.db2.gz ZQEFMWUUGAQDPO-WCVJEAGWSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@@H]1C ZINC000988739255 752641872 /nfs/dbraw/zinc/64/18/72/752641872.db2.gz ZQEFMWUUGAQDPO-WCVJEAGWSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]1C ZINC000988738978 752642072 /nfs/dbraw/zinc/64/20/72/752642072.db2.gz RXZLZCJGBHCFSA-KBMXLJTQSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]1C ZINC000988738978 752642075 /nfs/dbraw/zinc/64/20/75/752642075.db2.gz RXZLZCJGBHCFSA-KBMXLJTQSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCOC2)[C@@H]1C ZINC000988739254 752642237 /nfs/dbraw/zinc/64/22/37/752642237.db2.gz ZQEFMWUUGAQDPO-UGUYLWEFSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCOC2)[C@@H]1C ZINC000988739254 752642242 /nfs/dbraw/zinc/64/22/42/752642242.db2.gz ZQEFMWUUGAQDPO-UGUYLWEFSA-N 1 1 333.432 0.226 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)c(F)c1 ZINC001028448646 752684885 /nfs/dbraw/zinc/68/48/85/752684885.db2.gz LJADNVJFUGHJBB-CZUORRHYSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001007668754 752749861 /nfs/dbraw/zinc/74/98/61/752749861.db2.gz QKWFJWSYAMSKRV-RDTXWAMCSA-N 1 1 348.447 0.460 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ocnc3C)C2)C1=O ZINC001028464576 752752142 /nfs/dbraw/zinc/75/21/42/752752142.db2.gz WZLDUXHJPYPLRZ-KBPBESRZSA-N 1 1 332.404 0.822 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1)C1CC1 ZINC001028470004 752771324 /nfs/dbraw/zinc/77/13/24/752771324.db2.gz YLIPVUGNUAUSKW-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO CCn1nncc1C[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028471115 752773202 /nfs/dbraw/zinc/77/32/02/752773202.db2.gz RCOBEXLXZKGLSQ-GFCCVEGCSA-N 1 1 327.392 0.750 20 30 ECEDMO CCn1nncc1C[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028471115 752773208 /nfs/dbraw/zinc/77/32/08/752773208.db2.gz RCOBEXLXZKGLSQ-GFCCVEGCSA-N 1 1 327.392 0.750 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C)ncn3)C2)C1=O ZINC001028488531 752823964 /nfs/dbraw/zinc/82/39/64/752823964.db2.gz NIDSRBDHHBQIAR-HOCLYGCPSA-N 1 1 343.431 0.624 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028487350 752833333 /nfs/dbraw/zinc/83/33/33/752833333.db2.gz VTGLLFMMEHJLCY-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)c[nH]1 ZINC001028491665 752836493 /nfs/dbraw/zinc/83/64/93/752836493.db2.gz GDVRAXXCSYIFOO-AWEZNQCLSA-N 1 1 343.431 0.951 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)c[nH]1 ZINC001028492115 752837746 /nfs/dbraw/zinc/83/77/46/752837746.db2.gz ZTUDJQNLYVDFSP-CZUORRHYSA-N 1 1 342.403 0.196 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000982544363 752848608 /nfs/dbraw/zinc/84/86/08/752848608.db2.gz BZOHZFSCZCRSCH-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000982547789 752862538 /nfs/dbraw/zinc/86/25/38/752862538.db2.gz RKBGZFRCXFZJPC-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)CCN(C)c1cc(C)[nH+]c(CC)n1 ZINC001105368886 752873075 /nfs/dbraw/zinc/87/30/75/752873075.db2.gz FFYLJMYPSJNWMI-UHFFFAOYSA-N 1 1 331.420 0.382 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001059931678 752909461 /nfs/dbraw/zinc/90/94/61/752909461.db2.gz UKXYFCZHWCZBIJ-ZIAGYGMSSA-N 1 1 328.420 0.633 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](CNC(=O)c3ncccc3O)C2)C1=O ZINC001028499851 752916178 /nfs/dbraw/zinc/91/61/78/752916178.db2.gz LQAPTZQXSFRKMG-UONOGXRCSA-N 1 1 344.415 0.626 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ncccc3O)C2)C1=O ZINC001028499851 752916183 /nfs/dbraw/zinc/91/61/83/752916183.db2.gz LQAPTZQXSFRKMG-UONOGXRCSA-N 1 1 344.415 0.626 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001007788528 752930810 /nfs/dbraw/zinc/93/08/10/752930810.db2.gz PZSHEFASFASDMY-GFCCVEGCSA-N 1 1 330.417 0.941 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001007788528 752930815 /nfs/dbraw/zinc/93/08/15/752930815.db2.gz PZSHEFASFASDMY-GFCCVEGCSA-N 1 1 330.417 0.941 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001007802694 752943904 /nfs/dbraw/zinc/94/39/04/752943904.db2.gz ZWIWXSNZQOKCNH-CYBMUJFWSA-N 1 1 328.372 0.630 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001007802694 752943910 /nfs/dbraw/zinc/94/39/10/752943910.db2.gz ZWIWXSNZQOKCNH-CYBMUJFWSA-N 1 1 328.372 0.630 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 ZINC001007826724 752964803 /nfs/dbraw/zinc/96/48/03/752964803.db2.gz IXXHQVZPLNTEBD-JDFRZJQESA-N 1 1 329.404 0.849 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)cc1 ZINC001028520255 753049612 /nfs/dbraw/zinc/04/96/12/753049612.db2.gz ZIJZYHWQXIMRGS-LSDHHAIUSA-N 1 1 328.372 0.605 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC000988971122 753093934 /nfs/dbraw/zinc/09/39/34/753093934.db2.gz ZJNYKYYGBXWPMF-CHWSQXEVSA-N 1 1 329.408 0.590 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028536801 753096153 /nfs/dbraw/zinc/09/61/53/753096153.db2.gz YOVPNSPZXYNYHH-KBPBESRZSA-N 1 1 329.404 0.224 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)C3CS(=O)(=O)C3)C2)c1 ZINC001028563427 753149246 /nfs/dbraw/zinc/14/92/46/753149246.db2.gz IBNQGFGOPJUYNC-OAHLLOKOSA-N 1 1 347.440 0.541 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)C3CS(=O)(=O)C3)C2)c1 ZINC001028563427 753149247 /nfs/dbraw/zinc/14/92/47/753149247.db2.gz IBNQGFGOPJUYNC-OAHLLOKOSA-N 1 1 347.440 0.541 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001007999173 753190380 /nfs/dbraw/zinc/19/03/80/753190380.db2.gz TZFLQWCCEDCDIW-UONOGXRCSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001007999173 753190384 /nfs/dbraw/zinc/19/03/84/753190384.db2.gz TZFLQWCCEDCDIW-UONOGXRCSA-N 1 1 337.464 0.882 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000989066262 753204447 /nfs/dbraw/zinc/20/44/47/753204447.db2.gz YAPGSFWJKGHNBT-MJBXVCDLSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000989066262 753204452 /nfs/dbraw/zinc/20/44/52/753204452.db2.gz YAPGSFWJKGHNBT-MJBXVCDLSA-N 1 1 339.386 0.846 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC001008055026 753246088 /nfs/dbraw/zinc/24/60/88/753246088.db2.gz RFNXATCPNSQBMB-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccns3)C2)C1=O ZINC001028575887 753250033 /nfs/dbraw/zinc/25/00/33/753250033.db2.gz UKLYUFWACBSVBI-OLZOCXBDSA-N 1 1 334.445 0.982 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001028578856 753333426 /nfs/dbraw/zinc/33/34/26/753333426.db2.gz VXRFNXIZCBIXQB-KBPBESRZSA-N 1 1 343.855 0.672 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001028578856 753333429 /nfs/dbraw/zinc/33/34/29/753333429.db2.gz VXRFNXIZCBIXQB-KBPBESRZSA-N 1 1 343.855 0.672 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(-c3ccco3)no2)C1 ZINC001051494967 762206551 /nfs/dbraw/zinc/20/65/51/762206551.db2.gz PPUXUZIZJOCSFA-VXGBXAGGSA-N 1 1 345.359 0.806 20 30 ECEDMO CCCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 ZINC001051495413 762208508 /nfs/dbraw/zinc/20/85/08/762208508.db2.gz ULALQSXJQGIODY-OCCSQVGLSA-N 1 1 334.424 0.473 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000938131572 753391281 /nfs/dbraw/zinc/39/12/81/753391281.db2.gz SIEFOQAHAWHVTD-HOCLYGCPSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000938131572 753391287 /nfs/dbraw/zinc/39/12/87/753391287.db2.gz SIEFOQAHAWHVTD-HOCLYGCPSA-N 1 1 346.431 0.335 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001008161357 753392322 /nfs/dbraw/zinc/39/23/22/753392322.db2.gz BMFDKSUPKLPLAC-HNNXBMFYSA-N 1 1 330.436 0.936 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C)cn1 ZINC000989159837 753393308 /nfs/dbraw/zinc/39/33/08/753393308.db2.gz VECUHDRYZDBPBH-COXVUDFISA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncc(C)cn2)[C@@H]1C ZINC001088631002 753442352 /nfs/dbraw/zinc/44/23/52/753442352.db2.gz MKGGHZQINRGICG-IKGGRYGDSA-N 1 1 341.459 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncc(C)cn2)[C@@H]1C ZINC001088631002 753442358 /nfs/dbraw/zinc/44/23/58/753442358.db2.gz MKGGHZQINRGICG-IKGGRYGDSA-N 1 1 341.459 0.962 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn[nH]c(=O)c3)[C@H]2C)C1=O ZINC001088642314 753497050 /nfs/dbraw/zinc/49/70/50/753497050.db2.gz XYHVHDITBIHMBA-KWCYVHTRSA-N 1 1 345.403 0.162 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@@]2(C)C1 ZINC000982773499 753521542 /nfs/dbraw/zinc/52/15/42/753521542.db2.gz SVSIETNBUGMGLR-NXHRZFHOSA-N 1 1 333.432 0.037 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001059039684 753534398 /nfs/dbraw/zinc/53/43/98/753534398.db2.gz RVGFQTNUJDUJCK-RDJZCZTQSA-N 1 1 343.431 0.497 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001059039684 753534403 /nfs/dbraw/zinc/53/44/03/753534403.db2.gz RVGFQTNUJDUJCK-RDJZCZTQSA-N 1 1 343.431 0.497 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)OC)CC1(C)C ZINC001008279486 753542384 /nfs/dbraw/zinc/54/23/84/753542384.db2.gz XKULRPGLYXGOLA-QLFBSQMISA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)OC)CC1(C)C ZINC001008279486 753542387 /nfs/dbraw/zinc/54/23/87/753542387.db2.gz XKULRPGLYXGOLA-QLFBSQMISA-N 1 1 335.448 0.472 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000982780446 753547706 /nfs/dbraw/zinc/54/77/06/753547706.db2.gz DDDFTSJLVLAPIG-JSGCOSHPSA-N 1 1 329.404 0.416 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000982786273 753564283 /nfs/dbraw/zinc/56/42/83/753564283.db2.gz FOFKOHMKZHYPSU-CVEARBPZSA-N 1 1 340.427 0.593 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001059043068 753573859 /nfs/dbraw/zinc/57/38/59/753573859.db2.gz UODXQBSEHYMLHK-IHRRRGAJSA-N 1 1 328.420 0.513 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC001088674451 753677854 /nfs/dbraw/zinc/67/78/54/753677854.db2.gz KNWNRLSDWUAYLE-PWSUYJOCSA-N 1 1 325.390 0.143 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028593345 753752217 /nfs/dbraw/zinc/75/22/17/753752217.db2.gz JWUXPCKNZPUQFR-CYBMUJFWSA-N 1 1 344.419 0.348 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028593345 753752223 /nfs/dbraw/zinc/75/22/23/753752223.db2.gz JWUXPCKNZPUQFR-CYBMUJFWSA-N 1 1 344.419 0.348 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCNC3=O)C2)c1 ZINC001008468075 753771483 /nfs/dbraw/zinc/77/14/83/753771483.db2.gz JMXPHRLTTIKXKZ-MRXNPFEDSA-N 1 1 341.415 0.282 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)c1 ZINC001008468075 753771486 /nfs/dbraw/zinc/77/14/86/753771486.db2.gz JMXPHRLTTIKXKZ-MRXNPFEDSA-N 1 1 341.415 0.282 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]2O)c1 ZINC001083392657 753795118 /nfs/dbraw/zinc/79/51/18/753795118.db2.gz SNYBSJGZISMHRW-SJORKVTESA-N 1 1 340.383 0.354 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2O)c1 ZINC001083392657 753795127 /nfs/dbraw/zinc/79/51/27/753795127.db2.gz SNYBSJGZISMHRW-SJORKVTESA-N 1 1 340.383 0.354 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@]2(C)C1 ZINC000982806235 753796944 /nfs/dbraw/zinc/79/69/44/753796944.db2.gz XLPIHKWRXKWQGJ-HDICACEKSA-N 1 1 328.416 0.921 20 30 ECEDMO CN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937349326 753824251 /nfs/dbraw/zinc/82/42/51/753824251.db2.gz DCUSPBRLTCESAS-LPHOPBHVSA-N 1 1 329.444 0.945 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583174 753864308 /nfs/dbraw/zinc/86/43/08/753864308.db2.gz LNBPMAACRQQGEH-JKSUJKDBSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001028601805 753878185 /nfs/dbraw/zinc/87/81/85/753878185.db2.gz VLRQWJBJSWDPHJ-SJORKVTESA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ncnn2CC)C1 ZINC001028601827 753878788 /nfs/dbraw/zinc/87/87/88/753878788.db2.gz VYELBMMTTLQESS-CVEARBPZSA-N 1 1 344.463 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ncnn2CC)C1 ZINC001028601827 753878793 /nfs/dbraw/zinc/87/87/93/753878793.db2.gz VYELBMMTTLQESS-CVEARBPZSA-N 1 1 344.463 0.334 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4nncn4C3)C[C@@]2(C)C1 ZINC000982831127 753883626 /nfs/dbraw/zinc/88/36/26/753883626.db2.gz GZBQMPFLAWSWOZ-OLMNPRSZSA-N 1 1 327.432 0.644 20 30 ECEDMO C#CC[N@H+](C)CCCN1C(=O)N[C@H](c2ccc(OC)c(O)c2)C1=O ZINC000925315357 753884630 /nfs/dbraw/zinc/88/46/30/753884630.db2.gz WWTUBWGIFFDIQO-OAHLLOKOSA-N 1 1 331.372 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccns2)C1 ZINC000982841759 753951744 /nfs/dbraw/zinc/95/17/44/753951744.db2.gz VAXILMHMSFYKTQ-KBPBESRZSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccns2)C1 ZINC000982841759 753951747 /nfs/dbraw/zinc/95/17/47/753951747.db2.gz VAXILMHMSFYKTQ-KBPBESRZSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001028629418 753994634 /nfs/dbraw/zinc/99/46/34/753994634.db2.gz LOUVLMBVPCRWJD-XQQFMLRXSA-N 1 1 334.338 0.794 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCN(C)c2ncccc2C#N)O1 ZINC001105602431 754040430 /nfs/dbraw/zinc/04/04/30/754040430.db2.gz ZIJAKOMVFKYETK-UKRRQHHQSA-N 1 1 331.420 0.567 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCN(C)c2ncccc2C#N)O1 ZINC001105602431 754040434 /nfs/dbraw/zinc/04/04/34/754040434.db2.gz ZIJAKOMVFKYETK-UKRRQHHQSA-N 1 1 331.420 0.567 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C[C@@H]2C)nn1 ZINC000989535421 754078304 /nfs/dbraw/zinc/07/83/04/754078304.db2.gz AZMUWLXMMNGJMO-STQMWFEESA-N 1 1 327.392 0.647 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001008813500 754146055 /nfs/dbraw/zinc/14/60/55/754146055.db2.gz GCIHELUUGBWWRT-ZFWWWQNUSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001008813500 754146059 /nfs/dbraw/zinc/14/60/59/754146059.db2.gz GCIHELUUGBWWRT-ZFWWWQNUSA-N 1 1 346.435 0.327 20 30 ECEDMO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)nc1 ZINC001051523675 762274247 /nfs/dbraw/zinc/27/42/47/762274247.db2.gz ISZHRPDYYJUPCM-CQSZACIVSA-N 1 1 340.387 0.616 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001008839071 754183978 /nfs/dbraw/zinc/18/39/78/754183978.db2.gz IQAJKTVTTKCMCQ-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC001051524728 762276490 /nfs/dbraw/zinc/27/64/90/762276490.db2.gz WRMWYJSESBELBQ-CYBMUJFWSA-N 1 1 329.360 0.814 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cc(C(N)=O)cn3C)CCC[C@H]12 ZINC000991625398 762279234 /nfs/dbraw/zinc/27/92/34/762279234.db2.gz PCIFNDCKXSMDQJ-MAUKXSAKSA-N 1 1 328.416 0.874 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989661005 754268979 /nfs/dbraw/zinc/26/89/79/754268979.db2.gz FDTDHHOFMAIIND-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cncn3C)C2)C1=O ZINC001028667536 754464130 /nfs/dbraw/zinc/46/41/30/754464130.db2.gz PXPHCDRXGJDLKH-KGLIPLIRSA-N 1 1 331.420 0.259 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)nn1 ZINC001105377154 754474175 /nfs/dbraw/zinc/47/41/75/754474175.db2.gz RSGHANKBOLRSIW-QGZVFWFLSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105377154 754474180 /nfs/dbraw/zinc/47/41/80/754474180.db2.gz RSGHANKBOLRSIW-QGZVFWFLSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](NCc3nccn3C)C[C@@H]2C)CC1 ZINC000989828599 754497564 /nfs/dbraw/zinc/49/75/64/754497564.db2.gz GQRKBWPQZIDLCH-DOTOQJQBSA-N 1 1 343.475 0.844 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000983075801 754563285 /nfs/dbraw/zinc/56/32/85/754563285.db2.gz PJIPHRYGVHCVRB-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000983075801 754563291 /nfs/dbraw/zinc/56/32/91/754563291.db2.gz PJIPHRYGVHCVRB-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000983080424 754573920 /nfs/dbraw/zinc/57/39/20/754573920.db2.gz ZFLOOWXLUWDZLD-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000983080424 754573922 /nfs/dbraw/zinc/57/39/22/754573922.db2.gz ZFLOOWXLUWDZLD-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000983081406 754578524 /nfs/dbraw/zinc/57/85/24/754578524.db2.gz GBRCGVRWTGILPT-RBSFLKMASA-N 1 1 337.464 0.882 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000983081406 754578528 /nfs/dbraw/zinc/57/85/28/754578528.db2.gz GBRCGVRWTGILPT-RBSFLKMASA-N 1 1 337.464 0.882 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3nccnc3C#N)C2)C1 ZINC001060006853 754681106 /nfs/dbraw/zinc/68/11/06/754681106.db2.gz GRXKYUBEKCCUNQ-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3nccnc3C#N)C2)C1 ZINC001060006853 754681109 /nfs/dbraw/zinc/68/11/09/754681109.db2.gz GRXKYUBEKCCUNQ-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)c3cc(C)[nH]n3)CC2)C1=O ZINC000990086078 754706453 /nfs/dbraw/zinc/70/64/53/754706453.db2.gz YGUSUXORAZFIJA-AWEZNQCLSA-N 1 1 331.420 0.699 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)s1 ZINC001009265722 754722427 /nfs/dbraw/zinc/72/24/27/754722427.db2.gz XKGILYZZGXAXBX-RISCZKNCSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)s1 ZINC001009265722 754722432 /nfs/dbraw/zinc/72/24/32/754722432.db2.gz XKGILYZZGXAXBX-RISCZKNCSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nccs3)C2)[nH]1 ZINC001051554204 762327885 /nfs/dbraw/zinc/32/78/85/762327885.db2.gz BAGZQMPANUKNEJ-GFCCVEGCSA-N 1 1 331.401 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000983171320 754772745 /nfs/dbraw/zinc/77/27/45/754772745.db2.gz SGWWEQHFFKJLKZ-RDJZCZTQSA-N 1 1 343.427 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000983171320 754772747 /nfs/dbraw/zinc/77/27/47/754772747.db2.gz SGWWEQHFFKJLKZ-RDJZCZTQSA-N 1 1 343.427 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001009346483 754794796 /nfs/dbraw/zinc/79/47/96/754794796.db2.gz LKSWKTVXKFVNKK-GOEBONIOSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001009346483 754794799 /nfs/dbraw/zinc/79/47/99/754794799.db2.gz LKSWKTVXKFVNKK-GOEBONIOSA-N 1 1 345.447 0.628 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001028712748 754800139 /nfs/dbraw/zinc/80/01/39/754800139.db2.gz YQAWLYHIMRZULO-CABCVRRESA-N 1 1 330.432 0.999 20 30 ECEDMO CCn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC001051563055 762345347 /nfs/dbraw/zinc/34/53/47/762345347.db2.gz NUTOSXBCOIPBSI-HNNXBMFYSA-N 1 1 343.391 0.129 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028736359 754920275 /nfs/dbraw/zinc/92/02/75/754920275.db2.gz DHDBQJKWTKNADV-MNOVXSKESA-N 1 1 330.226 0.469 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028736359 754920280 /nfs/dbraw/zinc/92/02/80/754920280.db2.gz DHDBQJKWTKNADV-MNOVXSKESA-N 1 1 330.226 0.469 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990289206 754927444 /nfs/dbraw/zinc/92/74/44/754927444.db2.gz OJBJOWRWMCUQKK-KHIZAZIESA-N 1 1 329.404 0.748 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCN3C(C)=O)C2)nn1 ZINC001105378721 755159981 /nfs/dbraw/zinc/15/99/81/755159981.db2.gz IESKFUPVJJDWPV-MRXNPFEDSA-N 1 1 346.435 0.338 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnc(C)s2)C1 ZINC000990432086 755165343 /nfs/dbraw/zinc/16/53/43/755165343.db2.gz YWNDMEAMXSAVIG-ZDUSSCGKSA-N 1 1 332.429 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnc(C)s2)C1 ZINC000990432086 755165344 /nfs/dbraw/zinc/16/53/44/755165344.db2.gz YWNDMEAMXSAVIG-ZDUSSCGKSA-N 1 1 332.429 0.490 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000990518607 755315254 /nfs/dbraw/zinc/31/52/54/755315254.db2.gz OXTLESUOVKQQSL-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001028869393 755347475 /nfs/dbraw/zinc/34/74/75/755347475.db2.gz SWVZVAGDOFTUMC-CYBMUJFWSA-N 1 1 329.404 0.959 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)[C@@H](O)C1 ZINC001083477151 755605570 /nfs/dbraw/zinc/60/55/70/755605570.db2.gz CQZSJJSLGCORES-OAGGEKHMSA-N 1 1 333.436 0.527 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001083483034 755640807 /nfs/dbraw/zinc/64/08/07/755640807.db2.gz FRFHCSJJSAAPIE-KFWWJZLASA-N 1 1 337.464 0.761 20 30 ECEDMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010102316 755651507 /nfs/dbraw/zinc/65/15/07/755651507.db2.gz CEGXXATXDVCFCR-HNNXBMFYSA-N 1 1 344.806 0.569 20 30 ECEDMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010102316 755651510 /nfs/dbraw/zinc/65/15/10/755651510.db2.gz CEGXXATXDVCFCR-HNNXBMFYSA-N 1 1 344.806 0.569 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000990706270 755657419 /nfs/dbraw/zinc/65/74/19/755657419.db2.gz ASTRELJLWKMBST-CQSZACIVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC001075996125 755671935 /nfs/dbraw/zinc/67/19/35/755671935.db2.gz WNNTZKUDHZOABN-SMDDNHRTSA-N 1 1 326.356 0.192 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)nn2C)[C@@H](O)C1 ZINC001083489532 755677705 /nfs/dbraw/zinc/67/77/05/755677705.db2.gz JILLMOAZGWDMOH-KOLCDFICSA-N 1 1 332.326 0.790 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)n3)on2)[C@@H](O)C1 ZINC001083489923 755678994 /nfs/dbraw/zinc/67/89/94/755678994.db2.gz FWSYCYSJSKOMSU-KGLIPLIRSA-N 1 1 331.376 0.426 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@H]12 ZINC000990714342 755720668 /nfs/dbraw/zinc/72/06/68/755720668.db2.gz RXDREZRQFVTQGX-UGSOOPFHSA-N 1 1 331.416 0.518 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010255093 755891183 /nfs/dbraw/zinc/89/11/83/755891183.db2.gz NISWUCSSIXXPGL-WBVHZDCISA-N 1 1 345.399 0.673 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010255093 755891189 /nfs/dbraw/zinc/89/11/89/755891189.db2.gz NISWUCSSIXXPGL-WBVHZDCISA-N 1 1 345.399 0.673 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1 ZINC001076012553 755993363 /nfs/dbraw/zinc/99/33/63/755993363.db2.gz LLIKABLXECKTGX-GOEBONIOSA-N 1 1 329.400 0.883 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@]2(C3CCCC3)CCNC2=O)[C@@H](O)C1 ZINC001083539306 756021953 /nfs/dbraw/zinc/02/19/53/756021953.db2.gz QBACCJLFGMXKFS-VKJFTORMSA-N 1 1 335.448 0.420 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC(=O)NCC)C2)nn1 ZINC001098661320 756037029 /nfs/dbraw/zinc/03/70/29/756037029.db2.gz JPYKWRRUOFPOSJ-CQSZACIVSA-N 1 1 334.424 0.243 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001010395678 756080132 /nfs/dbraw/zinc/08/01/32/756080132.db2.gz CTEMMEFFMJBHQT-HUUCEWRRSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001010395678 756080137 /nfs/dbraw/zinc/08/01/37/756080137.db2.gz CTEMMEFFMJBHQT-HUUCEWRRSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnccc3C)C2)C1=O ZINC001010425686 756120596 /nfs/dbraw/zinc/12/05/96/756120596.db2.gz BKZMYIYXIDIZNH-GDBMZVCRSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnccc3C)C2)C1=O ZINC001010425686 756120601 /nfs/dbraw/zinc/12/06/01/756120601.db2.gz BKZMYIYXIDIZNH-GDBMZVCRSA-N 1 1 328.416 0.981 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C2)c1 ZINC001010482377 756172785 /nfs/dbraw/zinc/17/27/85/756172785.db2.gz XWSDABMJTXXKJE-CJNGLKHVSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C4CCC4)C3=O)C2)c1 ZINC001010482377 756172794 /nfs/dbraw/zinc/17/27/94/756172794.db2.gz XWSDABMJTXXKJE-CJNGLKHVSA-N 1 1 341.415 0.844 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001076218826 756222270 /nfs/dbraw/zinc/22/22/70/756222270.db2.gz IAUIPARZNINLEZ-YWPYICTPSA-N 1 1 331.420 0.851 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)cc1 ZINC001076249033 756267285 /nfs/dbraw/zinc/26/72/85/756267285.db2.gz REZGWIQLLWUADQ-VVLHAWIVSA-N 1 1 338.411 0.712 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CS(=O)(=O)NC)[C@H](C)C1 ZINC001102582598 756267639 /nfs/dbraw/zinc/26/76/39/756267639.db2.gz OVFZFMGDZLQPOU-MGPQQGTHSA-N 1 1 331.482 0.574 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001010622955 756316704 /nfs/dbraw/zinc/31/67/04/756316704.db2.gz BRKWZKUJWRMKIP-DZGCQCFKSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001010622955 756316710 /nfs/dbraw/zinc/31/67/10/756316710.db2.gz BRKWZKUJWRMKIP-DZGCQCFKSA-N 1 1 329.404 0.376 20 30 ECEDMO CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 ZINC001051609531 762459390 /nfs/dbraw/zinc/45/93/90/762459390.db2.gz VVYYVNQVSZFHNF-MRXNPFEDSA-N 1 1 331.420 0.589 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001010642712 756341317 /nfs/dbraw/zinc/34/13/17/756341317.db2.gz JQKMJOTVFWRVAC-CQSZACIVSA-N 1 1 327.392 0.599 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076315789 756344242 /nfs/dbraw/zinc/34/42/42/756344242.db2.gz RAPAQLFNZOEHSO-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)cc1 ZINC001076333482 756388045 /nfs/dbraw/zinc/38/80/45/756388045.db2.gz BTTFFNNWPBTHGN-JLJPHGGASA-N 1 1 341.411 0.719 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)cc1 ZINC001076333482 756388048 /nfs/dbraw/zinc/38/80/48/756388048.db2.gz BTTFFNNWPBTHGN-JLJPHGGASA-N 1 1 341.411 0.719 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1C1CC1 ZINC001051611582 762465431 /nfs/dbraw/zinc/46/54/31/762465431.db2.gz LUIGHIHEOFKKAY-MRXNPFEDSA-N 1 1 343.431 0.652 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)cc1 ZINC001010699550 756414945 /nfs/dbraw/zinc/41/49/45/756414945.db2.gz VELSWPZRJUYGFT-CQSZACIVSA-N 1 1 326.360 0.246 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001010741344 756469075 /nfs/dbraw/zinc/46/90/75/756469075.db2.gz UIDMDXDJJODYOG-HUUCEWRRSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnn(CC)c2)CC1 ZINC001010759771 756489734 /nfs/dbraw/zinc/48/97/34/756489734.db2.gz SVFZHSBJARKKJT-INIZCTEOSA-N 1 1 343.431 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnn(CC)c2)CC1 ZINC001010759771 756489738 /nfs/dbraw/zinc/48/97/38/756489738.db2.gz SVFZHSBJARKKJT-INIZCTEOSA-N 1 1 343.431 0.285 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1 ZINC001076440628 756518337 /nfs/dbraw/zinc/51/83/37/756518337.db2.gz DFFZFDMABUSKJQ-WMLDXEAASA-N 1 1 343.431 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ccn(C)n1 ZINC001076446349 756539186 /nfs/dbraw/zinc/53/91/86/756539186.db2.gz KWGCOBNDGMZTSO-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ccn(C)n1 ZINC001076446349 756539190 /nfs/dbraw/zinc/53/91/90/756539190.db2.gz KWGCOBNDGMZTSO-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)C1CC(Nc2cc(C)[nH+]c(CC)n2)C1 ZINC001126930202 756581103 /nfs/dbraw/zinc/58/11/03/756581103.db2.gz AAKJIUAKHKLPJV-UHFFFAOYSA-N 1 1 343.431 0.888 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCC3(CN(C(=O)[C@H](C)C#N)C3)C2)C1 ZINC001010838719 756586723 /nfs/dbraw/zinc/58/67/23/756586723.db2.gz VRSDEBDJCRWWJW-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCC3(CN(C(=O)[C@H](C)C#N)C3)C2)C1 ZINC001010838719 756586730 /nfs/dbraw/zinc/58/67/30/756586730.db2.gz VRSDEBDJCRWWJW-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12 ZINC000991655765 762484623 /nfs/dbraw/zinc/48/46/23/762484623.db2.gz MSPVCRABUMNGLZ-CXAGYDPISA-N 1 1 332.404 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)CN(C(=O)COC)C[C@]2(C)C1 ZINC001010922070 756672014 /nfs/dbraw/zinc/67/20/14/756672014.db2.gz DPSUAJIIWALAMV-ZYSHUDEJSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)CN(C(=O)COC)C[C@]2(C)C1 ZINC001010922070 756672018 /nfs/dbraw/zinc/67/20/18/756672018.db2.gz DPSUAJIIWALAMV-ZYSHUDEJSA-N 1 1 347.459 0.427 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4ccc[nH]4)[C@@H]3C2)C1=O ZINC001076596025 756707013 /nfs/dbraw/zinc/70/70/13/756707013.db2.gz WHGJHRRRBBKLBY-BHYGNILZSA-N 1 1 342.443 0.877 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)[nH]1 ZINC000990891874 756720253 /nfs/dbraw/zinc/72/02/53/756720253.db2.gz FYIWZLDAADUYTA-CQSZACIVSA-N 1 1 338.371 0.601 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001010979419 756721734 /nfs/dbraw/zinc/72/17/34/756721734.db2.gz VMKWYGQOJIYMPQ-NONVJHHQSA-N 1 1 332.448 0.795 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001011020106 756774115 /nfs/dbraw/zinc/77/41/15/756774115.db2.gz RUDUHDXUULORJC-ZDUSSCGKSA-N 1 1 329.404 0.513 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001051621068 762494062 /nfs/dbraw/zinc/49/40/62/762494062.db2.gz YRPUDWNZNCGAFS-XHSDSOJGSA-N 1 1 349.435 0.113 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)c[nH]1 ZINC000990929304 756894890 /nfs/dbraw/zinc/89/48/90/756894890.db2.gz QBDNRSWTIGOVEU-HOTGVXAUSA-N 1 1 341.415 0.844 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC(=O)N(CCOC)C3)CCC[C@@H]12 ZINC000990933921 756906136 /nfs/dbraw/zinc/90/61/36/756906136.db2.gz HVCOPKHYAQRZFF-HDMKZQKVSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)N(CCOC)C3)CCC[C@@H]12 ZINC000990933922 756906345 /nfs/dbraw/zinc/90/63/45/756906345.db2.gz HVCOPKHYAQRZFF-IIDMSEBBSA-N 1 1 333.432 0.228 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@H]12 ZINC000991658418 762503317 /nfs/dbraw/zinc/50/33/17/762503317.db2.gz UBYCEMQFMSKKOJ-GUYCJALGSA-N 1 1 330.388 0.085 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001098666564 756930066 /nfs/dbraw/zinc/93/00/66/756930066.db2.gz ASALRZLLEACYFR-ZBFHGGJFSA-N 1 1 333.436 0.980 20 30 ECEDMO CCn1cc(C[N@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)nn1 ZINC001048778910 756964634 /nfs/dbraw/zinc/96/46/34/756964634.db2.gz KMVFLFIJYXPCRT-OKILXGFUSA-N 1 1 339.403 0.702 20 30 ECEDMO CCn1cc(C[N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)nn1 ZINC001048778910 756964642 /nfs/dbraw/zinc/96/46/42/756964642.db2.gz KMVFLFIJYXPCRT-OKILXGFUSA-N 1 1 339.403 0.702 20 30 ECEDMO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1ccc(C#N)[nH]1 ZINC001076744424 756968384 /nfs/dbraw/zinc/96/83/84/756968384.db2.gz FJOJRNMCXCIROT-OUCADQQQSA-N 1 1 331.420 0.851 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC000996118090 756984197 /nfs/dbraw/zinc/98/41/97/756984197.db2.gz IZQNYNRDOBEZMX-FXUDXRNXSA-N 1 1 341.415 0.842 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)CC(C)(C)O)C[C@H]3C2)C1=O ZINC001048795453 757021535 /nfs/dbraw/zinc/02/15/35/757021535.db2.gz UDWLDHKMZTYMQD-ZNMIVQPWSA-N 1 1 335.448 0.325 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001011161910 757076957 /nfs/dbraw/zinc/07/69/57/757076957.db2.gz TWLASADVPPIQIH-QGZVFWFLSA-N 1 1 325.412 0.904 20 30 ECEDMO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)nn1 ZINC001107149481 757086642 /nfs/dbraw/zinc/08/66/42/757086642.db2.gz GVPXUHYKZKQJQK-DOMZBBRYSA-N 1 1 346.435 0.726 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3COC(=O)C3)nn2)C1 ZINC001107158958 757130676 /nfs/dbraw/zinc/13/06/76/757130676.db2.gz HIEXPRBCPOGKLF-GFCCVEGCSA-N 1 1 333.392 0.280 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)cc1 ZINC001076792386 757139439 /nfs/dbraw/zinc/13/94/39/757139439.db2.gz UQBAZWBUOZJYCM-DJIMGWMZSA-N 1 1 345.399 0.287 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)cc1 ZINC001076792386 757139441 /nfs/dbraw/zinc/13/94/41/757139441.db2.gz UQBAZWBUOZJYCM-DJIMGWMZSA-N 1 1 345.399 0.287 20 30 ECEDMO COCCC[NH+]1CC(n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC001107157298 757145826 /nfs/dbraw/zinc/14/58/26/757145826.db2.gz NLEOQPFVYGZWCJ-UHFFFAOYSA-N 1 1 343.391 0.301 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)C[C@H]2C1 ZINC001048848156 757170995 /nfs/dbraw/zinc/17/09/95/757170995.db2.gz NQVAYHYCKHFIDR-YESZJQIVSA-N 1 1 331.460 0.904 20 30 ECEDMO CC(C)C#CC(=O)NCc1cn(C2C[NH+](CC[C@H]3CCCO3)C2)nn1 ZINC001107169556 757206977 /nfs/dbraw/zinc/20/69/77/757206977.db2.gz NXGXCAGGKPQODR-QGZVFWFLSA-N 1 1 345.447 0.980 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001048873210 757247804 /nfs/dbraw/zinc/24/78/04/757247804.db2.gz BUFDOMIDTUMHMR-GJZGRUSLSA-N 1 1 334.420 0.578 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CN(C)C(=O)C3CC3)nn2)C1 ZINC001107177019 757259847 /nfs/dbraw/zinc/25/98/47/757259847.db2.gz YKHDMHPVQZZIFA-UHFFFAOYSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001011239344 757266560 /nfs/dbraw/zinc/26/65/60/757266560.db2.gz KNXAZVZBZZBQSQ-GJZGRUSLSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC001011239735 757267846 /nfs/dbraw/zinc/26/78/46/757267846.db2.gz DFKCYQLDDTTYRT-CVEARBPZSA-N 1 1 347.459 0.877 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCN(C)C3=O)nn2)C1 ZINC001107180460 757301019 /nfs/dbraw/zinc/30/10/19/757301019.db2.gz SPWGHOKCEKAMDN-CYBMUJFWSA-N 1 1 346.435 0.196 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@H]2C1 ZINC001048889229 757306328 /nfs/dbraw/zinc/30/63/28/757306328.db2.gz SHNIZDCPMJTHNC-OWCLPIDISA-N 1 1 342.443 0.871 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12 ZINC000990998685 757306434 /nfs/dbraw/zinc/30/64/34/757306434.db2.gz PTLNOLUHTAYJQL-HIFRSBDPSA-N 1 1 327.450 0.321 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001068464582 790323833 /nfs/dbraw/zinc/32/38/33/790323833.db2.gz SKSRBPFDVRNEEM-RBSFLKMASA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001068464582 790323844 /nfs/dbraw/zinc/32/38/44/790323844.db2.gz SKSRBPFDVRNEEM-RBSFLKMASA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001068464581 790324783 /nfs/dbraw/zinc/32/47/83/790324783.db2.gz SKSRBPFDVRNEEM-KKUMJFAQSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001068464581 790324796 /nfs/dbraw/zinc/32/47/96/790324796.db2.gz SKSRBPFDVRNEEM-KKUMJFAQSA-N 1 1 329.404 0.591 20 30 ECEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048897528 757330194 /nfs/dbraw/zinc/33/01/94/757330194.db2.gz HAZGUIBFMSSWLG-ILXRZTDVSA-N 1 1 337.464 0.713 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)nn2)C1 ZINC001060144759 757358394 /nfs/dbraw/zinc/35/83/94/757358394.db2.gz IBXBEJODSIESDY-UKRRQHHQSA-N 1 1 328.420 0.775 20 30 ECEDMO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001076856059 757399891 /nfs/dbraw/zinc/39/98/91/757399891.db2.gz ZJUQKBORALTFCN-IAGOWNOFSA-N 1 1 340.383 0.870 20 30 ECEDMO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001076856059 757399904 /nfs/dbraw/zinc/39/99/04/757399904.db2.gz ZJUQKBORALTFCN-IAGOWNOFSA-N 1 1 340.383 0.870 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1 ZINC001021414721 757408234 /nfs/dbraw/zinc/40/82/34/757408234.db2.gz CNARLXBFIHNVHD-HEHGZKQESA-N 1 1 341.415 0.511 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@H]2C1 ZINC001048920880 757417377 /nfs/dbraw/zinc/41/73/77/757417377.db2.gz JIUGLGGGYCWKOV-BETUJISGSA-N 1 1 326.356 0.050 20 30 ECEDMO C=C(Cl)CN1CC(n2cc(CNC(=O)Cn3c[nH+]cc3C)nn2)C1 ZINC001107184760 757418227 /nfs/dbraw/zinc/41/82/27/757418227.db2.gz AOSUTZKSCJZXPM-UHFFFAOYSA-N 1 1 349.826 0.709 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3OCC(N)=O)C[C@H]2C1 ZINC001048929422 757441152 /nfs/dbraw/zinc/44/11/52/757441152.db2.gz YSEAEHYNHYPEOM-OKILXGFUSA-N 1 1 329.400 0.741 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)nn1 ZINC001098676557 762552611 /nfs/dbraw/zinc/55/26/11/762552611.db2.gz PHTYDKWBOIKIFM-GJZGRUSLSA-N 1 1 335.408 0.133 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]nc2C)CC1 ZINC001011314772 757489840 /nfs/dbraw/zinc/48/98/40/757489840.db2.gz KCFDUZVRXSTDOL-HNNXBMFYSA-N 1 1 329.404 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]nc2C)CC1 ZINC001011314772 757489847 /nfs/dbraw/zinc/48/98/47/757489847.db2.gz KCFDUZVRXSTDOL-HNNXBMFYSA-N 1 1 329.404 0.100 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@H]3C2)c1 ZINC001048977845 757584858 /nfs/dbraw/zinc/58/48/58/757584858.db2.gz NGFTXOVBJIHBRS-BBWFWOEESA-N 1 1 338.411 0.585 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC001021564859 757604930 /nfs/dbraw/zinc/60/49/30/757604930.db2.gz BLSQPOPZYIRAKT-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001049003721 757664766 /nfs/dbraw/zinc/66/47/66/757664766.db2.gz RFLZQLMXSBOWSZ-HOTGVXAUSA-N 1 1 349.475 0.857 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021613596 757685633 /nfs/dbraw/zinc/68/56/33/757685633.db2.gz AHSIUMZSTBTEQW-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021618084 757690523 /nfs/dbraw/zinc/69/05/23/757690523.db2.gz BPRPWQIBWNERCP-JKSUJKDBSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021618084 757690527 /nfs/dbraw/zinc/69/05/27/757690527.db2.gz BPRPWQIBWNERCP-JKSUJKDBSA-N 1 1 338.473 0.757 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ccc(C#N)nc2)C1 ZINC001107211156 757699779 /nfs/dbraw/zinc/69/97/79/757699779.db2.gz SPWIDGSSQRVYRK-QDLOVBKTSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ccc(C#N)nc2)C1 ZINC001107211156 757699783 /nfs/dbraw/zinc/69/97/83/757699783.db2.gz SPWIDGSSQRVYRK-QDLOVBKTSA-N 1 1 329.404 0.758 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 ZINC001021627883 757708640 /nfs/dbraw/zinc/70/86/40/757708640.db2.gz QKIKOIXTPQBLBI-JKSUJKDBSA-N 1 1 345.443 0.862 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021634256 757716041 /nfs/dbraw/zinc/71/60/41/757716041.db2.gz XWMWIQJTVAHKBE-HZPDHXFCSA-N 1 1 345.447 0.308 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001049023450 757725133 /nfs/dbraw/zinc/72/51/33/757725133.db2.gz DCBRHEMJTIIJTL-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)ccc1F ZINC001021662387 757754914 /nfs/dbraw/zinc/75/49/14/757754914.db2.gz VCLKTIVUJZHINE-CZUORRHYSA-N 1 1 344.390 0.996 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(=O)NC)CC[C@H]32)c1 ZINC001021668510 757763038 /nfs/dbraw/zinc/76/30/38/757763038.db2.gz ONMZCBMCUHQTDI-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cnccc2=O)C1 ZINC001021701589 757821268 /nfs/dbraw/zinc/82/12/68/757821268.db2.gz BCMYJGFENKMBSC-IRXDYDNUSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021722833 757862170 /nfs/dbraw/zinc/86/21/70/757862170.db2.gz AKSOJJRZIYKECS-HZPDHXFCSA-N 1 1 345.447 0.226 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001076997862 757866161 /nfs/dbraw/zinc/86/61/61/757866161.db2.gz KHEFSZHWKUJNHM-IAGOWNOFSA-N 1 1 332.448 0.959 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)C1 ZINC001076997862 757866168 /nfs/dbraw/zinc/86/61/68/757866168.db2.gz KHEFSZHWKUJNHM-IAGOWNOFSA-N 1 1 332.448 0.959 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)C1 ZINC001076997862 757866181 /nfs/dbraw/zinc/86/61/81/757866181.db2.gz KHEFSZHWKUJNHM-IAGOWNOFSA-N 1 1 332.448 0.959 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001076996609 757899535 /nfs/dbraw/zinc/89/95/35/757899535.db2.gz GAKXUFCEZMCMOC-USXIJHARSA-N 1 1 348.447 0.894 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001021756524 757905644 /nfs/dbraw/zinc/90/56/44/757905644.db2.gz HXTYKHSMHUGTDC-HOCLYGCPSA-N 1 1 326.400 0.740 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001049085479 757919310 /nfs/dbraw/zinc/91/93/10/757919310.db2.gz UEEUBJVUJFCZRV-GJZGRUSLSA-N 1 1 348.447 0.824 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCCC(=O)NCC)nn2)C1 ZINC001107230707 757942066 /nfs/dbraw/zinc/94/20/66/757942066.db2.gz WDBWICMTBNQQTO-UHFFFAOYSA-N 1 1 348.451 0.634 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3ncnn3C)C(C)(C)C2)cn1 ZINC000996537219 757959106 /nfs/dbraw/zinc/95/91/06/757959106.db2.gz VGDSOBUOECDLCZ-HNNXBMFYSA-N 1 1 338.415 0.832 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]3C2)nn1 ZINC001049103443 757966552 /nfs/dbraw/zinc/96/65/52/757966552.db2.gz LQHDAOGHSWONDU-KFWWJZLASA-N 1 1 331.420 0.504 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@@H]2C1 ZINC001049110860 757984616 /nfs/dbraw/zinc/98/46/16/757984616.db2.gz CHMWQIRNHNEFJP-FSDCSDTHSA-N 1 1 345.447 0.687 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNc1ccnc(C#N)n1 ZINC001107229390 757991636 /nfs/dbraw/zinc/99/16/36/757991636.db2.gz JCWBAIHXUWSJHM-ISZGNANSSA-N 1 1 328.420 0.729 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@H]2C1 ZINC001049114680 758001054 /nfs/dbraw/zinc/00/10/54/758001054.db2.gz LIDYJYSUJBHDFI-OKILXGFUSA-N 1 1 339.399 0.358 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001077048042 758036968 /nfs/dbraw/zinc/03/69/68/758036968.db2.gz ZUWFEMOFBOOARH-ARFHVFGLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001077044982 758044572 /nfs/dbraw/zinc/04/45/72/758044572.db2.gz QYWYGMDZMXRJCV-BZUAXINKSA-N 1 1 337.464 0.905 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CSCC#N)C[C@]2(C)C1 ZINC001101134889 758061987 /nfs/dbraw/zinc/06/19/87/758061987.db2.gz AGZRRGSFVBAFLD-CJNGLKHVSA-N 1 1 336.461 0.326 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001077065118 758075310 /nfs/dbraw/zinc/07/53/10/758075310.db2.gz OWKIZWLMGTTZHL-LSDHHAIUSA-N 1 1 341.452 0.311 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001077065118 758075318 /nfs/dbraw/zinc/07/53/18/758075318.db2.gz OWKIZWLMGTTZHL-LSDHHAIUSA-N 1 1 341.452 0.311 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3CC3)CCC[C@@H]12 ZINC001107251430 758075564 /nfs/dbraw/zinc/07/55/64/758075564.db2.gz BFVZXXVWWXPGAA-RDTXWAMCSA-N 1 1 348.447 0.769 20 30 ECEDMO CN(C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001021946479 758089176 /nfs/dbraw/zinc/08/91/76/758089176.db2.gz NTETVGWBUTVAIC-PHIMTYICSA-N 1 1 329.364 0.386 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001077071017 758089551 /nfs/dbraw/zinc/08/95/51/758089551.db2.gz CMWKPBPMVSTSCZ-CHWSQXEVSA-N 1 1 330.388 0.923 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCO3)CCC[C@@H]12 ZINC001107266858 758110008 /nfs/dbraw/zinc/11/00/08/758110008.db2.gz RWJDTWGRRQGJTA-HDMKZQKVSA-N 1 1 335.448 0.828 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NC(C)=O)CCC[C@@H]12 ZINC001107268497 758117436 /nfs/dbraw/zinc/11/74/36/758117436.db2.gz VLSXYWLRMAFZQM-QGPMSJSTSA-N 1 1 335.448 0.522 20 30 ECEDMO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)[nH]1 ZINC001014399475 762604751 /nfs/dbraw/zinc/60/47/51/762604751.db2.gz WDKKNRLVXKSODA-NSHDSACASA-N 1 1 330.417 0.980 20 30 ECEDMO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)[nH]1 ZINC001014399475 762604757 /nfs/dbraw/zinc/60/47/57/762604757.db2.gz WDKKNRLVXKSODA-NSHDSACASA-N 1 1 330.417 0.980 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC001011626832 758162946 /nfs/dbraw/zinc/16/29/46/758162946.db2.gz SZBABEJJYPYKNK-SMDDNHRTSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cncs3)CCC[C@@H]12 ZINC001107301915 758205094 /nfs/dbraw/zinc/20/50/94/758205094.db2.gz RFQUSQJJZLOCSS-RHSMWYFYSA-N 1 1 346.456 0.867 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)OCC)CCC[C@@H]12 ZINC001107314104 758219325 /nfs/dbraw/zinc/21/93/25/758219325.db2.gz LURSLYYGQQUDDN-GPMSIDNRSA-N 1 1 349.475 0.912 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(C)no4)C[C@@H]3C2)nc1 ZINC001049175626 758225145 /nfs/dbraw/zinc/22/51/45/758225145.db2.gz YQAKPBWLVYFIBD-GASCZTMLSA-N 1 1 337.383 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(C)no4)C[C@@H]3C2)nc1 ZINC001049175626 758225156 /nfs/dbraw/zinc/22/51/56/758225156.db2.gz YQAKPBWLVYFIBD-GASCZTMLSA-N 1 1 337.383 0.958 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001077117039 758232284 /nfs/dbraw/zinc/23/22/84/758232284.db2.gz JROZGMOKOWHYFF-VXGBXAGGSA-N 1 1 331.376 0.025 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCSC ZINC001077123782 758249041 /nfs/dbraw/zinc/24/90/41/758249041.db2.gz CMZUDMYYIFYFJX-KBPBESRZSA-N 1 1 325.478 0.848 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCSC ZINC001077123782 758249053 /nfs/dbraw/zinc/24/90/53/758249053.db2.gz CMZUDMYYIFYFJX-KBPBESRZSA-N 1 1 325.478 0.848 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001049190606 758259102 /nfs/dbraw/zinc/25/91/02/758259102.db2.gz YHYDZYJBJFUIHA-RRQGHBQHSA-N 1 1 325.412 0.474 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107330611 758271112 /nfs/dbraw/zinc/27/11/12/758271112.db2.gz GAMQJWIVBLQAOY-CXAGYDPISA-N 1 1 349.435 0.172 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1coc(OC)n1 ZINC001077124691 758286305 /nfs/dbraw/zinc/28/63/05/758286305.db2.gz CNKMROJSEFHADD-JSGCOSHPSA-N 1 1 348.403 0.405 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1coc(OC)n1 ZINC001077124691 758286314 /nfs/dbraw/zinc/28/63/14/758286314.db2.gz CNKMROJSEFHADD-JSGCOSHPSA-N 1 1 348.403 0.405 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1OCC[C@H]1CC ZINC001077125237 758289952 /nfs/dbraw/zinc/28/99/52/758289952.db2.gz PRGDVYHTNDZSAH-YVSFHVDLSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1OCC[C@H]1CC ZINC001077125237 758289960 /nfs/dbraw/zinc/28/99/60/758289960.db2.gz PRGDVYHTNDZSAH-YVSFHVDLSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1[nH]cnc1C ZINC001077125554 758292813 /nfs/dbraw/zinc/29/28/13/758292813.db2.gz WYPCOBUHJAVZBK-BBRMVZONSA-N 1 1 345.447 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1[nH]cnc1C ZINC001077125554 758292822 /nfs/dbraw/zinc/29/28/22/758292822.db2.gz WYPCOBUHJAVZBK-BBRMVZONSA-N 1 1 345.447 0.369 20 30 ECEDMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 ZINC001107329527 758302539 /nfs/dbraw/zinc/30/25/39/758302539.db2.gz YIIRGKFUAVGUHR-HDMKZQKVSA-N 1 1 347.463 0.081 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 ZINC001107329527 758302547 /nfs/dbraw/zinc/30/25/47/758302547.db2.gz YIIRGKFUAVGUHR-HDMKZQKVSA-N 1 1 347.463 0.081 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CN(C)CCO3)CCC[C@@H]12 ZINC001107343109 758312872 /nfs/dbraw/zinc/31/28/72/758312872.db2.gz LEQYQISAYPHYBE-ZHALLVOQSA-N 1 1 349.475 0.328 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001077149125 758346829 /nfs/dbraw/zinc/34/68/29/758346829.db2.gz SCGDFBPJQVKJAC-ARFHVFGLSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001077149125 758346846 /nfs/dbraw/zinc/34/68/46/758346846.db2.gz SCGDFBPJQVKJAC-ARFHVFGLSA-N 1 1 349.475 0.910 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@H]2C1 ZINC001049223187 758372769 /nfs/dbraw/zinc/37/27/69/758372769.db2.gz JPQJLKGGLWNDJS-ZNMIVQPWSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1O ZINC001077158617 758374222 /nfs/dbraw/zinc/37/42/22/758374222.db2.gz OFRCXGSGLQTAGG-CEXWTWQISA-N 1 1 341.455 0.754 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N3CCOCC3)C[C@H]2C1 ZINC001049226019 758380301 /nfs/dbraw/zinc/38/03/01/758380301.db2.gz CZGXSHOWWTTZDU-KSZLIROESA-N 1 1 331.460 0.511 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C3CN(C(C)=O)C3)CCC[C@@H]12 ZINC001107378997 758408535 /nfs/dbraw/zinc/40/85/35/758408535.db2.gz WASZVQHYWAMMKK-IEBWSBKVSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001022205661 758417102 /nfs/dbraw/zinc/41/71/02/758417102.db2.gz DLDQJRWYBUDPAM-RWMBFGLXSA-N 1 1 329.408 0.809 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3ccoc3)CCC[C@@H]12 ZINC001107379979 758422775 /nfs/dbraw/zinc/42/27/75/758422775.db2.gz IEXGOWOXSLIOFY-VQIMIIECSA-N 1 1 343.427 0.932 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(OC)ccc2OC)C1 ZINC001077171564 758424729 /nfs/dbraw/zinc/42/47/29/758424729.db2.gz ISIOSANDOHIGIJ-HZPDHXFCSA-N 1 1 334.416 0.984 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cc[nH]n3)s2)C1 ZINC001077183189 758437234 /nfs/dbraw/zinc/43/72/34/758437234.db2.gz ZGZZQMGXLZTZGP-CHWSQXEVSA-N 1 1 330.413 0.936 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cc[nH]n3)s2)C1 ZINC001077183189 758437243 /nfs/dbraw/zinc/43/72/43/758437243.db2.gz ZGZZQMGXLZTZGP-CHWSQXEVSA-N 1 1 330.413 0.936 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H](C)c2noc(C)n2)C1 ZINC001022220510 758441920 /nfs/dbraw/zinc/44/19/20/758441920.db2.gz HOXPLEKKJUBDDU-RZFFKMDDSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H](C)c2noc(C)n2)C1 ZINC001022220510 758441923 /nfs/dbraw/zinc/44/19/23/758441923.db2.gz HOXPLEKKJUBDDU-RZFFKMDDSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ncccn2)C1 ZINC001022220936 758442580 /nfs/dbraw/zinc/44/25/80/758442580.db2.gz URMRYAKHYHHCFV-JONQDZQNSA-N 1 1 327.432 0.872 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncn1C)CC2 ZINC001107401462 758499018 /nfs/dbraw/zinc/49/90/18/758499018.db2.gz PHKDCGHWSALFEO-IIDMSEBBSA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncn1C)CC2 ZINC001107401462 758499024 /nfs/dbraw/zinc/49/90/24/758499024.db2.gz PHKDCGHWSALFEO-IIDMSEBBSA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107401495 758500370 /nfs/dbraw/zinc/50/03/70/758500370.db2.gz QQROZSBKCZCTET-SJLPKXTDSA-N 1 1 338.448 0.396 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccn[nH]2)C1=O ZINC001049342993 758540368 /nfs/dbraw/zinc/54/03/68/758540368.db2.gz WUJWURYVXSZQIG-OAGGEKHMSA-N 1 1 343.431 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2cc[nH]n2)C1=O ZINC001049342993 758540376 /nfs/dbraw/zinc/54/03/76/758540376.db2.gz WUJWURYVXSZQIG-OAGGEKHMSA-N 1 1 343.431 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2cc[nH]n2)C1=O ZINC001049342993 758540382 /nfs/dbraw/zinc/54/03/82/758540382.db2.gz WUJWURYVXSZQIG-OAGGEKHMSA-N 1 1 343.431 0.876 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)S(C)(=O)=O)CCC[C@@H]12 ZINC001107429369 758546746 /nfs/dbraw/zinc/54/67/46/758546746.db2.gz HXJBPJYITSRMLR-UKRRQHHQSA-N 1 1 329.466 0.425 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cn(C)nc2C)C1=O ZINC001032320034 758615672 /nfs/dbraw/zinc/61/56/72/758615672.db2.gz TUTGOWVRIUZOOM-OFQRWUPVSA-N 1 1 343.431 0.414 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cn(C)nc2C)C1=O ZINC001032320034 758615679 /nfs/dbraw/zinc/61/56/79/758615679.db2.gz TUTGOWVRIUZOOM-OFQRWUPVSA-N 1 1 343.431 0.414 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CNC(=O)OC)CC2(CCOCC2)C1 ZINC001099565158 758619075 /nfs/dbraw/zinc/61/90/75/758619075.db2.gz BEQWPXKDADZFBQ-CQSZACIVSA-N 1 1 337.420 0.353 20 30 ECEDMO C=CCn1cc(C(=O)NC2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC000991676486 762651357 /nfs/dbraw/zinc/65/13/57/762651357.db2.gz KVMIYLYQAMRIIK-UHFFFAOYSA-N 1 1 346.435 0.137 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC001049458575 758744792 /nfs/dbraw/zinc/74/47/92/758744792.db2.gz YBZPPKAZGGQSSM-CVEARBPZSA-N 1 1 343.427 0.614 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3csnn3)CCC[C@@H]12 ZINC001107488711 758756212 /nfs/dbraw/zinc/75/62/12/758756212.db2.gz UKLYGVKRPGDTRD-CZUORRHYSA-N 1 1 347.444 0.262 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCN(C)C3=O)CCC[C@@H]12 ZINC001107510961 758784359 /nfs/dbraw/zinc/78/43/59/758784359.db2.gz DYJLJKSLOHSAJI-FRQCXROJSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCN1CC[NH+](C2CCC(NC(=O)Cc3n[nH]c(C)n3)CC2)CC1 ZINC000996773357 758790387 /nfs/dbraw/zinc/79/03/87/758790387.db2.gz MQEQSVVKFZPNNR-UHFFFAOYSA-N 1 1 346.479 0.887 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001049503155 758815549 /nfs/dbraw/zinc/81/55/49/758815549.db2.gz UEOXKKXJVYYYKG-QLFBSQMISA-N 1 1 331.416 0.613 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC[C@H]2[C@@H]1CCN2CC#N ZINC001049516315 758840662 /nfs/dbraw/zinc/84/06/62/758840662.db2.gz BQVLPPUIJHCSKK-HRCADAONSA-N 1 1 330.436 0.402 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001049557555 758918993 /nfs/dbraw/zinc/91/89/93/758918993.db2.gz ISVIYGUJAPYBEU-QLFBSQMISA-N 1 1 343.431 0.635 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001049559648 758921254 /nfs/dbraw/zinc/92/12/54/758921254.db2.gz JYPCJLSVGPIPRL-IKGGRYGDSA-N 1 1 349.475 0.552 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 ZINC001049559980 758922479 /nfs/dbraw/zinc/92/24/79/758922479.db2.gz YYBMTSZCFRYZDA-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O ZINC001049561227 758925556 /nfs/dbraw/zinc/92/55/56/758925556.db2.gz ITDJLYSNOWCCLT-HUUCEWRRSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cn[nH]n2)C1=O ZINC001049572172 758943717 /nfs/dbraw/zinc/94/37/17/758943717.db2.gz XURXVNHETDMCHP-ZNMIVQPWSA-N 1 1 344.419 0.271 20 30 ECEDMO N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049613527 758994253 /nfs/dbraw/zinc/99/42/53/758994253.db2.gz XOILOFGWUGMIHS-HNCZQISISA-N 1 1 330.432 0.438 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nc2ccccn2c1=O ZINC001049624911 759008614 /nfs/dbraw/zinc/00/86/14/759008614.db2.gz JSCDGECDJFZOEY-LSDHHAIUSA-N 1 1 339.399 0.195 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnnn3CC)C2)nn1 ZINC001098669937 759078632 /nfs/dbraw/zinc/07/86/32/759078632.db2.gz ZBQIBBZPOYFDAA-ZDUSSCGKSA-N 1 1 330.396 0.252 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)[C@@H](O)C1 ZINC001083584473 759098404 /nfs/dbraw/zinc/09/84/04/759098404.db2.gz XUAQTWIYRBUNIX-XYPHTWIQSA-N 1 1 332.448 0.951 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584473 759098408 /nfs/dbraw/zinc/09/84/08/759098408.db2.gz XUAQTWIYRBUNIX-XYPHTWIQSA-N 1 1 332.448 0.951 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049722994 759133015 /nfs/dbraw/zinc/13/30/15/759133015.db2.gz MPJOOUJLFYLSCN-XUWVNRHRSA-N 1 1 335.448 0.874 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(CCC)no3)C2)nn1 ZINC001022825204 759148408 /nfs/dbraw/zinc/14/84/08/759148408.db2.gz VNAPGDMFZVVXTC-TXEJJXNPSA-N 1 1 345.407 0.850 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001049764155 759177018 /nfs/dbraw/zinc/17/70/18/759177018.db2.gz TUXHMDOHTPSIDZ-OWCLPIDISA-N 1 1 338.473 0.900 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3C[C@H](C)O)nn1 ZINC001049776307 759191139 /nfs/dbraw/zinc/19/11/39/759191139.db2.gz IUXJVRIVJKMCFB-NUEKZKHPSA-N 1 1 333.436 0.914 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(N)=O)nn1 ZINC001049778346 759193324 /nfs/dbraw/zinc/19/33/24/759193324.db2.gz VMCRFFYMULVOPN-UONOGXRCSA-N 1 1 332.408 0.018 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)nn1 ZINC001049778346 759193331 /nfs/dbraw/zinc/19/33/31/759193331.db2.gz VMCRFFYMULVOPN-UONOGXRCSA-N 1 1 332.408 0.018 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001049783050 759199949 /nfs/dbraw/zinc/19/99/49/759199949.db2.gz TYPRQPNHJZCWKF-ZNMIVQPWSA-N 1 1 341.477 0.662 20 30 ECEDMO C#CCCOc1ccc(C(=O)NCC[NH2+]Cc2nnnn2C)cc1 ZINC001127008713 759261326 /nfs/dbraw/zinc/26/13/26/759261326.db2.gz VDMDRZGECDEBNY-UHFFFAOYSA-N 1 1 328.376 0.132 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2c(C)nn(C)c2Cl)[C@@H](O)C1 ZINC001083605583 759262682 /nfs/dbraw/zinc/26/26/82/759262682.db2.gz DSRYYRSGRQQYRD-OLZOCXBDSA-N 1 1 326.828 0.662 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001049833051 759269233 /nfs/dbraw/zinc/26/92/33/759269233.db2.gz ATDAKPAMCGKDJK-VNQPRFMTSA-N 1 1 329.404 0.552 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049839575 759278806 /nfs/dbraw/zinc/27/88/06/759278806.db2.gz IVSLEBKNGAPXGW-VXGBXAGGSA-N 1 1 346.387 0.599 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O ZINC001049842485 759286252 /nfs/dbraw/zinc/28/62/52/759286252.db2.gz WXXIPLORUMXPQB-ZIAGYGMSSA-N 1 1 334.420 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccoc2CC)C1 ZINC000991096179 759315263 /nfs/dbraw/zinc/31/52/63/759315263.db2.gz GXEXPEKPWJILMT-HNNXBMFYSA-N 1 1 329.400 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccoc2CC)C1 ZINC000991096179 759315273 /nfs/dbraw/zinc/31/52/73/759315273.db2.gz GXEXPEKPWJILMT-HNNXBMFYSA-N 1 1 329.400 0.880 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049871773 759325185 /nfs/dbraw/zinc/32/51/85/759325185.db2.gz NWYWQPUSKSGPQI-KBPBESRZSA-N 1 1 348.447 0.958 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049873368 759328558 /nfs/dbraw/zinc/32/85/58/759328558.db2.gz WUSZIYKYLQVSHQ-CHWSQXEVSA-N 1 1 332.404 0.015 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cnnn2)cc1 ZINC001049881188 759339506 /nfs/dbraw/zinc/33/95/06/759339506.db2.gz NXYMDWIZCROUEO-IAGOWNOFSA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049885754 759347238 /nfs/dbraw/zinc/34/72/38/759347238.db2.gz OIVLRTDSPLRDER-KBPBESRZSA-N 1 1 332.404 0.741 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001047638773 759375491 /nfs/dbraw/zinc/37/54/91/759375491.db2.gz IDSBPNBFNXKDCL-KBPBESRZSA-N 1 1 337.445 0.053 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001047638773 759375502 /nfs/dbraw/zinc/37/55/02/759375502.db2.gz IDSBPNBFNXKDCL-KBPBESRZSA-N 1 1 337.445 0.053 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cncc(C(N)=O)c1 ZINC001049901526 759382175 /nfs/dbraw/zinc/38/21/75/759382175.db2.gz ZCCFZJVYAKNQHD-CVEARBPZSA-N 1 1 326.400 0.883 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1COCCN1C(C)=O ZINC001049904174 759386341 /nfs/dbraw/zinc/38/63/41/759386341.db2.gz NDIDMVDXFIOWMO-ZACQAIPSSA-N 1 1 333.432 0.322 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cncnc3CC)C2)C1=O ZINC001032191268 759441159 /nfs/dbraw/zinc/44/11/59/759441159.db2.gz XHNFQFFROKWAIY-INIZCTEOSA-N 1 1 343.431 0.488 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001012151196 759457899 /nfs/dbraw/zinc/45/78/99/759457899.db2.gz KMWPYRIWGAUFBP-NXOAAHMSSA-N 1 1 349.475 0.979 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)c1 ZINC001050008589 759545836 /nfs/dbraw/zinc/54/58/36/759545836.db2.gz CQTRZDRZOQGJNN-GOEBONIOSA-N 1 1 341.415 0.655 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001050012167 759547109 /nfs/dbraw/zinc/54/71/09/759547109.db2.gz ZDABVZBJFARCAM-IVMMDQJWSA-N 1 1 343.431 0.899 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001050043521 759607211 /nfs/dbraw/zinc/60/72/11/759607211.db2.gz CIPHEGSYRZWKHI-JKSUJKDBSA-N 1 1 330.432 0.348 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001050045887 759609835 /nfs/dbraw/zinc/60/98/35/759609835.db2.gz NXYLTYBJDVVJSU-JLJPHGGASA-N 1 1 329.444 0.990 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(OC2C[NH+]([C@@H](C)COC)C2)CC1 ZINC001105708773 759668339 /nfs/dbraw/zinc/66/83/39/759668339.db2.gz YVQRTIFUYMZNLE-GJZGRUSLSA-N 1 1 338.448 0.751 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(OC2C[NH+](C[C@H](C)OC)C2)CC1 ZINC001105708786 759670284 /nfs/dbraw/zinc/67/02/84/759670284.db2.gz ZDHAIPWWDLHORF-LSDHHAIUSA-N 1 1 338.448 0.751 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC001050085757 759678372 /nfs/dbraw/zinc/67/83/72/759678372.db2.gz ZYBBWTZMJOUKKK-NWDGAFQWSA-N 1 1 339.417 0.649 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089731 759684644 /nfs/dbraw/zinc/68/46/44/759684644.db2.gz SLWTYNDKDCIUDX-HRCADAONSA-N 1 1 338.473 0.757 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccncc1C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125110439 759700260 /nfs/dbraw/zinc/70/02/60/759700260.db2.gz GRVCFNNPAFDSGG-HIFRSBDPSA-N 1 1 331.420 0.160 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050104129 759711070 /nfs/dbraw/zinc/71/10/70/759711070.db2.gz PESHZIFVJGHOCD-GXTWGEPZSA-N 1 1 349.460 0.802 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CN(C)C(=O)N3)cc2C1 ZINC001054277138 767890277 /nfs/dbraw/zinc/89/02/77/767890277.db2.gz MVKDELIRHGTQSG-INIZCTEOSA-N 1 1 326.400 0.665 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001050145575 759796465 /nfs/dbraw/zinc/79/64/65/759796465.db2.gz CPJKLMCTYKKSFZ-QLFBSQMISA-N 1 1 330.436 0.734 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@H](C)C#N)CC1(C)C ZINC000995566188 759801771 /nfs/dbraw/zinc/80/17/71/759801771.db2.gz UJHVIKBHKBQUFT-OLZOCXBDSA-N 1 1 333.440 0.959 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001017357516 767891937 /nfs/dbraw/zinc/89/19/37/767891937.db2.gz YHIYLYSMMDPMSQ-HNNXBMFYSA-N 1 1 335.448 0.804 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001017357516 767891942 /nfs/dbraw/zinc/89/19/42/767891942.db2.gz YHIYLYSMMDPMSQ-HNNXBMFYSA-N 1 1 335.448 0.804 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C(C)(C)C1 ZINC000995578270 759821236 /nfs/dbraw/zinc/82/12/36/759821236.db2.gz FKYRJQHIIJZMQK-NWDGAFQWSA-N 1 1 332.408 0.295 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001050179740 759878952 /nfs/dbraw/zinc/87/89/52/759878952.db2.gz QCLZEBMZFAAVBO-YQQAZPJKSA-N 1 1 343.431 0.799 20 30 ECEDMO C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](CNc2ccnc(C#N)n2)C1 ZINC001048060816 759901026 /nfs/dbraw/zinc/90/10/26/759901026.db2.gz IXTJROBCRGCIOM-QLFBSQMISA-N 1 1 342.447 0.903 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)NCc3cnon3)C2)CC1 ZINC001048070034 759912671 /nfs/dbraw/zinc/91/26/71/759912671.db2.gz YOSUCBDRJZNJAY-ZBFHGGJFSA-N 1 1 345.447 0.741 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc(C)on3)[C@@H]2C1 ZINC001050199481 759923844 /nfs/dbraw/zinc/92/38/44/759923844.db2.gz UFUFBBBCXVKFIU-UONOGXRCSA-N 1 1 330.388 0.868 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050204986 759938698 /nfs/dbraw/zinc/93/86/98/759938698.db2.gz UNGQIFAUUYZAHC-YNEHKIRRSA-N 1 1 347.868 0.353 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050204986 759938703 /nfs/dbraw/zinc/93/87/03/759938703.db2.gz UNGQIFAUUYZAHC-YNEHKIRRSA-N 1 1 347.868 0.353 20 30 ECEDMO Cn1ncc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)n1 ZINC000995687677 760059526 /nfs/dbraw/zinc/05/95/26/760059526.db2.gz KASJZMJRGYRNEP-CQSZACIVSA-N 1 1 327.392 0.655 20 30 ECEDMO C=CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001098673035 760107475 /nfs/dbraw/zinc/10/74/75/760107475.db2.gz LUELXTFJWFPQFU-VNQPRFMTSA-N 1 1 332.452 0.667 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001012504925 760123174 /nfs/dbraw/zinc/12/31/74/760123174.db2.gz YWBFDXNCIPWQDP-NHYWBVRUSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)n1 ZINC001050328822 760135971 /nfs/dbraw/zinc/13/59/71/760135971.db2.gz NUZBAJYWWPIJNG-NFAWXSAZSA-N 1 1 328.420 0.692 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)n1 ZINC001050328819 760135976 /nfs/dbraw/zinc/13/59/76/760135976.db2.gz NUZBAJYWWPIJNG-IPYPFGDCSA-N 1 1 328.420 0.692 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)[C@@H]2C)C1 ZINC001050347212 760157294 /nfs/dbraw/zinc/15/72/94/760157294.db2.gz XBUITDRRPMCWRD-UKPHBRMFSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)[C@@H]2C)C1 ZINC001050347212 760157299 /nfs/dbraw/zinc/15/72/99/760157299.db2.gz XBUITDRRPMCWRD-UKPHBRMFSA-N 1 1 343.431 0.757 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000945400265 760224407 /nfs/dbraw/zinc/22/44/07/760224407.db2.gz ZNRDJENDZTUERR-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1c1ccc(C#N)nn1 ZINC001050454905 760290472 /nfs/dbraw/zinc/29/04/72/760290472.db2.gz QJVWITBITSFHAM-IPYPFGDCSA-N 1 1 328.420 0.773 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001012564521 760298555 /nfs/dbraw/zinc/29/85/55/760298555.db2.gz SLLKKYSNAMUZMQ-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc2ccsc2c(=O)[nH]1 ZINC001127045847 760448934 /nfs/dbraw/zinc/44/89/34/760448934.db2.gz ITEUHJUECKHHNK-JTQLQIEISA-N 1 1 334.401 0.641 20 30 ECEDMO Cn1cnnc1C[NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C ZINC000995709536 760475162 /nfs/dbraw/zinc/47/51/62/760475162.db2.gz SXRILHIQVMWESD-ZDUSSCGKSA-N 1 1 327.392 0.655 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2csc(-c3ncc[nH]3)n2)[C@@H](O)C1 ZINC001083653931 760601746 /nfs/dbraw/zinc/60/17/46/760601746.db2.gz LIUWYCFMDNVNQI-PWSUYJOCSA-N 1 1 333.417 0.884 20 30 ECEDMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C2 ZINC001048518671 760649528 /nfs/dbraw/zinc/64/95/28/760649528.db2.gz OIBZPBHMUKXHIP-RKLWJJNISA-N 1 1 343.431 0.994 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ccn(C)n3)C2)nn1 ZINC001098674074 760683633 /nfs/dbraw/zinc/68/36/33/760683633.db2.gz YXCMXASVZRYJCS-OAHLLOKOSA-N 1 1 329.408 0.303 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)nn1 ZINC001048572445 760736685 /nfs/dbraw/zinc/73/66/85/760736685.db2.gz IEBYATSJFWFHJZ-QDMKHBRRSA-N 1 1 333.436 0.819 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(Cn3ccnn3)o2)[C@@H](O)C1 ZINC001083662166 760745287 /nfs/dbraw/zinc/74/52/87/760745287.db2.gz BGBROHSVVYPJQB-KGLIPLIRSA-N 1 1 331.376 0.270 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001048587699 760761253 /nfs/dbraw/zinc/76/12/53/760761253.db2.gz SFKRNHHSNTZNSH-BTTYYORXSA-N 1 1 344.415 0.482 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1nccnc1C(N)=O)C2 ZINC001048588250 760761308 /nfs/dbraw/zinc/76/13/08/760761308.db2.gz PVNNLSPNQXNXPI-CLLJXQQHSA-N 1 1 329.404 0.734 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C2 ZINC001048594221 760770310 /nfs/dbraw/zinc/77/03/10/760770310.db2.gz OYWQUWQTRKASQD-FZKCQIBNSA-N 1 1 332.448 0.912 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)C1 ZINC000996007162 760930995 /nfs/dbraw/zinc/93/09/95/760930995.db2.gz NRJOMFRQKUJOJG-NYTXWWLZSA-N 1 1 341.415 0.700 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC000996044213 760964397 /nfs/dbraw/zinc/96/43/97/760964397.db2.gz AQJJSYNOYZXUFL-HOCLYGCPSA-N 1 1 332.404 0.500 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cnsn4)C[C@H]3C2)C1=O ZINC001048700344 760968784 /nfs/dbraw/zinc/96/87/84/760968784.db2.gz ISHQBXMYVKDKGS-SCRDCRAPSA-N 1 1 347.444 0.329 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1CC#Cc1ccccc1 ZINC001050848376 760992656 /nfs/dbraw/zinc/99/26/56/760992656.db2.gz HPDKILYEPQGDMI-MOPGFXCFSA-N 1 1 341.455 0.949 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2C1 ZINC001048724718 761047972 /nfs/dbraw/zinc/04/79/72/761047972.db2.gz DVKYMKZDQRNVES-XQLPTFJDSA-N 1 1 332.448 0.936 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3noc4c3COCC4)C[C@@H]2C1 ZINC001048725604 761049613 /nfs/dbraw/zinc/04/96/13/761049613.db2.gz TYAZSBJWLSUKHH-RWMBFGLXSA-N 1 1 330.388 0.797 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3noc4c3COCC4)C[C@@H]2C1 ZINC001048725604 761049621 /nfs/dbraw/zinc/04/96/21/761049621.db2.gz TYAZSBJWLSUKHH-RWMBFGLXSA-N 1 1 330.388 0.797 20 30 ECEDMO COc1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)c(C)n1 ZINC001048728284 761057439 /nfs/dbraw/zinc/05/74/39/761057439.db2.gz YSBVPMLUWYZXEH-TUKIKUTGSA-N 1 1 329.404 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H]2CCCOC2)[nH]1 ZINC001050879178 761058779 /nfs/dbraw/zinc/05/87/79/761058779.db2.gz JCPAWQJVRIVMSW-HIFRSBDPSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@H]2CCCOC2)[nH]1 ZINC001050879178 761058786 /nfs/dbraw/zinc/05/87/86/761058786.db2.gz JCPAWQJVRIVMSW-HIFRSBDPSA-N 1 1 332.404 0.744 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@H]12 ZINC000991472498 761090349 /nfs/dbraw/zinc/09/03/49/761090349.db2.gz MEUFMVNLLQFTAG-QFBILLFUSA-N 1 1 348.491 0.840 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1CNc1ccnc(C#N)n1 ZINC001060253833 761140397 /nfs/dbraw/zinc/14/03/97/761140397.db2.gz MXYQTOHDNGKKHC-AWEZNQCLSA-N 1 1 339.403 0.768 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNc2ccnc(C#N)n2)C1 ZINC001060254112 761147298 /nfs/dbraw/zinc/14/72/98/761147298.db2.gz URUMCUSUZQPQKD-KGLIPLIRSA-N 1 1 328.420 0.515 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001077446478 761158743 /nfs/dbraw/zinc/15/87/43/761158743.db2.gz IZLDZMZKGXMADL-MGPQQGTHSA-N 1 1 334.445 0.297 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001077446478 761158748 /nfs/dbraw/zinc/15/87/48/761158748.db2.gz IZLDZMZKGXMADL-MGPQQGTHSA-N 1 1 334.445 0.297 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC000991485295 761169340 /nfs/dbraw/zinc/16/93/40/761169340.db2.gz LVWVOTDONFCSPN-QGZVFWFLSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cc(C)on1 ZINC001050962764 761231334 /nfs/dbraw/zinc/23/13/34/761231334.db2.gz QSFKOQBLSDHVEL-SJORKVTESA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cc(C)on1 ZINC001050962764 761231341 /nfs/dbraw/zinc/23/13/41/761231341.db2.gz QSFKOQBLSDHVEL-SJORKVTESA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1ccns1 ZINC001050963220 761231356 /nfs/dbraw/zinc/23/13/56/761231356.db2.gz XJAKABKOIACBCZ-ZBFHGGJFSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1ccns1 ZINC001050963220 761231364 /nfs/dbraw/zinc/23/13/64/761231364.db2.gz XJAKABKOIACBCZ-ZBFHGGJFSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1CC(=C)Cl ZINC001050962760 761231702 /nfs/dbraw/zinc/23/17/02/761231702.db2.gz QRILRBWWDKIEIX-GJZGRUSLSA-N 1 1 325.840 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1CC(=C)Cl ZINC001050962760 761231704 /nfs/dbraw/zinc/23/17/04/761231704.db2.gz QRILRBWWDKIEIX-GJZGRUSLSA-N 1 1 325.840 0.654 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1CCOC1CCC1 ZINC001050962755 761231712 /nfs/dbraw/zinc/23/17/12/761231712.db2.gz QRBUTRULUPIFDG-WMZOPIPTSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1CCOC1CCC1 ZINC001050962755 761231713 /nfs/dbraw/zinc/23/17/13/761231713.db2.gz QRBUTRULUPIFDG-WMZOPIPTSA-N 1 1 349.475 0.470 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001013257221 761233027 /nfs/dbraw/zinc/23/30/27/761233027.db2.gz AFPBJAOLNLGLAA-FZMZJTMJSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001051012998 761334874 /nfs/dbraw/zinc/33/48/74/761334874.db2.gz YMWMTPWGJHPFLC-GFCCVEGCSA-N 1 1 348.428 0.763 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001051012998 761334880 /nfs/dbraw/zinc/33/48/80/761334880.db2.gz YMWMTPWGJHPFLC-GFCCVEGCSA-N 1 1 348.428 0.763 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1c1ccc(C#N)nn1 ZINC001051027354 761359509 /nfs/dbraw/zinc/35/95/09/761359509.db2.gz SCLJYKVDCKDJPF-GUTXKFCHSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1OC ZINC001212152426 761413594 /nfs/dbraw/zinc/41/35/94/761413594.db2.gz OOTGRHZNKNREBH-HZPDHXFCSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCCN1CCOC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001051111448 761510004 /nfs/dbraw/zinc/51/00/04/761510004.db2.gz RAEPQONFTWHFBI-OAHLLOKOSA-N 1 1 346.431 0.724 20 30 ECEDMO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054568451 768044386 /nfs/dbraw/zinc/04/43/86/768044386.db2.gz FBUBRIRTMOZPCP-HZMBPMFUSA-N 1 1 340.391 0.458 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)[C@@H]2C)CC[N@H+]1C ZINC001051145543 761559435 /nfs/dbraw/zinc/55/94/35/761559435.db2.gz HUICUQMBRMIBRK-SYQHCUMBSA-N 1 1 328.420 0.772 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001051163985 761591747 /nfs/dbraw/zinc/59/17/47/761591747.db2.gz MUHVYJMSJUZDLT-CYBMUJFWSA-N 1 1 345.403 0.338 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001051163985 761591755 /nfs/dbraw/zinc/59/17/55/761591755.db2.gz MUHVYJMSJUZDLT-CYBMUJFWSA-N 1 1 345.403 0.338 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1c1cnc(C#N)cn1 ZINC001051196045 761666738 /nfs/dbraw/zinc/66/67/38/761666738.db2.gz GNIOPQPWIWKZDY-RJZRQDKASA-N 1 1 344.419 0.151 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1c1cnc(C#N)cn1 ZINC001051196045 761666741 /nfs/dbraw/zinc/66/67/41/761666741.db2.gz GNIOPQPWIWKZDY-RJZRQDKASA-N 1 1 344.419 0.151 20 30 ECEDMO CCc1cc(NC[C@@H](O)CNC(=O)c2ccc(C#N)[nH]2)nc(C)[nH+]1 ZINC001105789324 761805832 /nfs/dbraw/zinc/80/58/32/761805832.db2.gz UWVVFMYIKZMPFT-CYBMUJFWSA-N 1 1 328.376 0.750 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(CCO)CCNc1cnc(C#N)cn1 ZINC001111525448 761815293 /nfs/dbraw/zinc/81/52/93/761815293.db2.gz AKWVVJIXWTVVMX-UHFFFAOYSA-N 1 1 334.424 0.311 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCCN3C(N)=O)cccc2C1 ZINC001051308075 761861294 /nfs/dbraw/zinc/86/12/94/761861294.db2.gz JTIVKSLGRPRJJB-KRWDZBQOSA-N 1 1 340.427 0.837 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNc2cccc(F)c2C#N)C1 ZINC001105914315 762715090 /nfs/dbraw/zinc/71/50/90/762715090.db2.gz UAXKTERLIUYJSN-QWHCGFSZSA-N 1 1 334.395 0.928 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C[C@H]1O ZINC001051701668 762733776 /nfs/dbraw/zinc/73/37/76/762733776.db2.gz UBOYYRKNHSXMML-LSDHHAIUSA-N 1 1 340.387 0.214 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C[C@H]1O ZINC001051750679 762873425 /nfs/dbraw/zinc/87/34/25/762873425.db2.gz OQYBJIFOXBZSSU-HUUCEWRRSA-N 1 1 340.387 0.214 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051752051 762877993 /nfs/dbraw/zinc/87/79/93/762877993.db2.gz CFEMXULARNKJNM-LBPRGKRZSA-N 1 1 337.424 0.028 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC1=O ZINC001014613081 762901952 /nfs/dbraw/zinc/90/19/52/762901952.db2.gz AZQQDROXYKUGTL-RYUDHWBXSA-N 1 1 332.429 0.789 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1=O ZINC001014613081 762901956 /nfs/dbraw/zinc/90/19/56/762901956.db2.gz AZQQDROXYKUGTL-RYUDHWBXSA-N 1 1 332.429 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2ccon2)CC1 ZINC001017537500 768093283 /nfs/dbraw/zinc/09/32/83/768093283.db2.gz MZRGSQDBKYLPSX-INIZCTEOSA-N 1 1 342.399 0.661 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2ccon2)CC1 ZINC001017537500 768093289 /nfs/dbraw/zinc/09/32/89/768093289.db2.gz MZRGSQDBKYLPSX-INIZCTEOSA-N 1 1 342.399 0.661 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@@H](C[NH2+][C@@H](C)c3nnnn3C)C2)CC1 ZINC001051803374 763001829 /nfs/dbraw/zinc/00/18/29/763001829.db2.gz MVDSWPYZYVIHJV-ZFWWWQNUSA-N 1 1 348.451 0.835 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H](C[NH2+]Cc3cn(CC)nn3)C2)C1 ZINC001051815158 763029411 /nfs/dbraw/zinc/02/94/11/763029411.db2.gz PQRLZQZSBRQPIS-OAHLLOKOSA-N 1 1 333.436 0.971 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nocc2C)C1 ZINC001051834159 763075975 /nfs/dbraw/zinc/07/59/75/763075975.db2.gz HZPSZZMKHOVZEM-LZWOXQAQSA-N 1 1 335.404 0.891 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001105966944 763092009 /nfs/dbraw/zinc/09/20/09/763092009.db2.gz RVEHRGBQKQPGBU-LSDHHAIUSA-N 1 1 349.435 0.453 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CCN3CCCC3=O)C2)nc1 ZINC001046783536 763120756 /nfs/dbraw/zinc/12/07/56/763120756.db2.gz QLWOGXOSGHMUIM-LJQANCHMSA-N 1 1 340.427 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC001014771151 763128367 /nfs/dbraw/zinc/12/83/67/763128367.db2.gz WJPXMNKBSAMNON-CABCVRRESA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC001014771151 763128370 /nfs/dbraw/zinc/12/83/70/763128370.db2.gz WJPXMNKBSAMNON-CABCVRRESA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2noc(CCC)n2)C1 ZINC001014771476 763128682 /nfs/dbraw/zinc/12/86/82/763128682.db2.gz ZIVFBNFRYIFPFB-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2noc(CCC)n2)C1 ZINC001014771476 763128688 /nfs/dbraw/zinc/12/86/88/763128688.db2.gz ZIVFBNFRYIFPFB-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001105972512 763134325 /nfs/dbraw/zinc/13/43/25/763134325.db2.gz LGICJAOTFJMDOL-CABCVRRESA-N 1 1 331.420 0.715 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001089842441 763134672 /nfs/dbraw/zinc/13/46/72/763134672.db2.gz JRGQWLUGNBTQRC-YXWQFLTLSA-N 1 1 328.416 0.749 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089852630 763174981 /nfs/dbraw/zinc/17/49/81/763174981.db2.gz IPDKZKCOBASPKT-HZMVEIRTSA-N 1 1 338.411 0.712 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089852631 763175065 /nfs/dbraw/zinc/17/50/65/763175065.db2.gz IPDKZKCOBASPKT-NXOAAHMSSA-N 1 1 338.411 0.712 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001054638526 768112775 /nfs/dbraw/zinc/11/27/75/768112775.db2.gz QMUXNERFBWWLCI-OCCSQVGLSA-N 1 1 330.436 0.778 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001046829544 763188422 /nfs/dbraw/zinc/18/84/22/763188422.db2.gz FNGYSDGBBQNFMF-YDHLFZDLSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001046829544 763188424 /nfs/dbraw/zinc/18/84/24/763188424.db2.gz FNGYSDGBBQNFMF-YDHLFZDLSA-N 1 1 344.419 0.376 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)c1 ZINC001014810534 763211014 /nfs/dbraw/zinc/21/10/14/763211014.db2.gz HSEYZUNKEBCEHV-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001014819421 763233632 /nfs/dbraw/zinc/23/36/32/763233632.db2.gz ZDOWGLZJULLZOA-UONOGXRCSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001014819421 763233640 /nfs/dbraw/zinc/23/36/40/763233640.db2.gz ZDOWGLZJULLZOA-UONOGXRCSA-N 1 1 331.420 0.320 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccon3)C2)cn1 ZINC001051905410 763292450 /nfs/dbraw/zinc/29/24/50/763292450.db2.gz AUIBYZGAPYROOK-MRXNPFEDSA-N 1 1 326.356 0.682 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC000991760569 763302057 /nfs/dbraw/zinc/30/20/57/763302057.db2.gz BHXQTSCLFBMIPM-UHFFFAOYSA-N 1 1 327.388 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001046891689 763316344 /nfs/dbraw/zinc/31/63/44/763316344.db2.gz XIJZJFWAQXDKEG-CRAIPNDOSA-N 1 1 345.447 0.567 20 30 ECEDMO CN(CCOCCNc1ncccc1C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001127319822 768130960 /nfs/dbraw/zinc/13/09/60/768130960.db2.gz FCSRBYASMFBDMJ-OAHLLOKOSA-N 1 1 331.420 0.792 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001106921295 763346323 /nfs/dbraw/zinc/34/63/23/763346323.db2.gz CWPKJWCVBMEUKH-HNNXBMFYSA-N 1 1 346.435 0.718 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001106921295 763346332 /nfs/dbraw/zinc/34/63/32/763346332.db2.gz CWPKJWCVBMEUKH-HNNXBMFYSA-N 1 1 346.435 0.718 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000940509177 763358883 /nfs/dbraw/zinc/35/88/83/763358883.db2.gz IIXBCFYCMFLGPA-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccc(C#N)cn3)C2)C1 ZINC001051947312 763417464 /nfs/dbraw/zinc/41/74/64/763417464.db2.gz DEMLULVKFJTFIP-UYSNPLJNSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccc(C#N)cn3)C2)C1 ZINC001051947312 763417469 /nfs/dbraw/zinc/41/74/69/763417469.db2.gz DEMLULVKFJTFIP-UYSNPLJNSA-N 1 1 343.431 0.981 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001046944872 763432903 /nfs/dbraw/zinc/43/29/03/763432903.db2.gz PHLSSIAAMWPXLL-GFCCVEGCSA-N 1 1 348.357 0.835 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001046947976 763440971 /nfs/dbraw/zinc/44/09/71/763440971.db2.gz AHKBHTRSINDHHL-CHWSQXEVSA-N 1 1 327.375 0.752 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001046948998 763442529 /nfs/dbraw/zinc/44/25/29/763442529.db2.gz AXUOLHJVMVJWSH-IHRRRGAJSA-N 1 1 330.375 0.887 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000995086647 763451231 /nfs/dbraw/zinc/45/12/31/763451231.db2.gz JODGWGSIEXKSNX-OAHLLOKOSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001046953132 763451703 /nfs/dbraw/zinc/45/17/03/763451703.db2.gz APKVCHYEQLOYCR-GFCCVEGCSA-N 1 1 338.358 0.444 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001046953132 763451709 /nfs/dbraw/zinc/45/17/09/763451709.db2.gz APKVCHYEQLOYCR-GFCCVEGCSA-N 1 1 338.358 0.444 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000995086857 763452458 /nfs/dbraw/zinc/45/24/58/763452458.db2.gz QVRNDSXXYYMPSE-MRXNPFEDSA-N 1 1 326.400 0.488 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001046953993 763453869 /nfs/dbraw/zinc/45/38/69/763453869.db2.gz NUJRMNMBBLRKLU-GJZGRUSLSA-N 1 1 343.418 0.804 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001046953993 763453874 /nfs/dbraw/zinc/45/38/74/763453874.db2.gz NUJRMNMBBLRKLU-GJZGRUSLSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001046955306 763457672 /nfs/dbraw/zinc/45/76/72/763457672.db2.gz ZIEDTLKCZODCMU-RUXDESIVSA-N 1 1 341.402 0.985 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001046955306 763457675 /nfs/dbraw/zinc/45/76/75/763457675.db2.gz ZIEDTLKCZODCMU-RUXDESIVSA-N 1 1 341.402 0.985 20 30 ECEDMO N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)cn1 ZINC001105994794 763477595 /nfs/dbraw/zinc/47/75/95/763477595.db2.gz HIFIWXFUTALSFX-OLZOCXBDSA-N 1 1 341.375 0.011 20 30 ECEDMO N#Cc1nccc(NC2CC(CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC001051976363 763493144 /nfs/dbraw/zinc/49/31/44/763493144.db2.gz VKEMHQKAIVNSIR-JRSKDTKFSA-N 1 1 340.431 0.563 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1=O ZINC001030473123 763521424 /nfs/dbraw/zinc/52/14/24/763521424.db2.gz HOAVSDLMOWWOIZ-NFAWXSAZSA-N 1 1 329.404 0.101 20 30 ECEDMO CN1CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)C1=O ZINC001031910201 763524756 /nfs/dbraw/zinc/52/47/56/763524756.db2.gz IZVYVVNITHGKTO-KRWDZBQOSA-N 1 1 325.412 0.564 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001046996339 763537383 /nfs/dbraw/zinc/53/73/83/763537383.db2.gz RIERTIOQBOZLAU-GFCCVEGCSA-N 1 1 336.342 0.501 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001046996339 763537387 /nfs/dbraw/zinc/53/73/87/763537387.db2.gz RIERTIOQBOZLAU-GFCCVEGCSA-N 1 1 336.342 0.501 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000940912319 763552369 /nfs/dbraw/zinc/55/23/69/763552369.db2.gz OONNVAQVZMIXFL-KBPBESRZSA-N 1 1 331.420 0.768 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc(C)n[nH]3)C2)CC1 ZINC001052011599 763582477 /nfs/dbraw/zinc/58/24/77/763582477.db2.gz WEVJULYEUIYZNP-KRWDZBQOSA-N 1 1 329.448 0.502 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1OC ZINC001212184914 763614095 /nfs/dbraw/zinc/61/40/95/763614095.db2.gz IQRKLTYIDOSLFG-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H]1C ZINC001088847952 763618272 /nfs/dbraw/zinc/61/82/72/763618272.db2.gz WKRWBJKBNAULKB-PWSUYJOCSA-N 1 1 341.437 0.216 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032605 763634998 /nfs/dbraw/zinc/63/49/98/763634998.db2.gz HNTYEWHWOXQPKF-GOSISDBHSA-N 1 1 341.459 0.651 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052032728 763635324 /nfs/dbraw/zinc/63/53/24/763635324.db2.gz JDQHUGUIQVVBSQ-SFHVURJKSA-N 1 1 343.475 0.513 20 30 ECEDMO Cc1c(CCC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cnn1C ZINC001052035814 763645229 /nfs/dbraw/zinc/64/52/29/763645229.db2.gz QQPGIMOPECRIIV-KRWDZBQOSA-N 1 1 344.463 0.403 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnc(C)o3)C2)CC1 ZINC001052036964 763652609 /nfs/dbraw/zinc/65/26/09/763652609.db2.gz ZJBJAIBCOMXZEE-INIZCTEOSA-N 1 1 330.432 0.767 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4ncccc34)C2)CC1 ZINC001052037000 763652633 /nfs/dbraw/zinc/65/26/33/763652633.db2.gz ARHJEKICEPHPQT-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4ncccc34)C2)CC1 ZINC001052037000 763652640 /nfs/dbraw/zinc/65/26/40/763652640.db2.gz ARHJEKICEPHPQT-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4ncccc34)C2)CC1 ZINC001052037209 763654266 /nfs/dbraw/zinc/65/42/66/763654266.db2.gz HPCSVLOSNGUPIQ-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3cc(C)on3)C2)CC1 ZINC001052037550 763655591 /nfs/dbraw/zinc/65/55/91/763655591.db2.gz NKXHVPJRWCXKAB-OAHLLOKOSA-N 1 1 332.404 0.214 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001052040481 763662718 /nfs/dbraw/zinc/66/27/18/763662718.db2.gz AWOAQPIYOPNUAV-ZWKOTPCHSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnccc3OC)C2)CC1 ZINC001052043020 763673473 /nfs/dbraw/zinc/67/34/73/763673473.db2.gz MXKFFOKCLPUKQG-KRWDZBQOSA-N 1 1 342.443 0.484 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnccc3OC)C2)CC1 ZINC001052043021 763673639 /nfs/dbraw/zinc/67/36/39/763673639.db2.gz MXKFFOKCLPUKQG-QGZVFWFLSA-N 1 1 342.443 0.484 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052043478 763674880 /nfs/dbraw/zinc/67/48/80/763674880.db2.gz ZIMNDJWIGFDVBP-QAPCUYQASA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052043478 763674884 /nfs/dbraw/zinc/67/48/84/763674884.db2.gz ZIMNDJWIGFDVBP-QAPCUYQASA-N 1 1 334.464 0.307 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](O)CNc1snc(C)c1C#N ZINC001106010527 763689425 /nfs/dbraw/zinc/68/94/25/763689425.db2.gz BNEQLVCSUQOILI-LLVKDONJSA-N 1 1 339.465 0.943 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]nc3C(C)C)C2)CC1 ZINC001052048116 763693564 /nfs/dbraw/zinc/69/35/64/763693564.db2.gz LKRDFTPIYGJNLZ-HNNXBMFYSA-N 1 1 329.448 0.998 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC001052048556 763698195 /nfs/dbraw/zinc/69/81/95/763698195.db2.gz XOSJWKQKWWYEPB-CQSZACIVSA-N 1 1 327.432 0.364 20 30 ECEDMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC001120450910 763717871 /nfs/dbraw/zinc/71/78/71/763717871.db2.gz WABQHUVWSWIRDR-UHFFFAOYSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052053454 763718541 /nfs/dbraw/zinc/71/85/41/763718541.db2.gz LMNCEMUDOYYVSU-ZXXIGWHRSA-N 1 1 329.444 0.262 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCn3ccnc3)C2)CC1 ZINC001052059496 763737104 /nfs/dbraw/zinc/73/71/04/763737104.db2.gz JATZHXKLNYSNFI-QGZVFWFLSA-N 1 1 329.448 0.515 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCn3nc(C)cc3C)C2)CC1 ZINC001052059676 763737712 /nfs/dbraw/zinc/73/77/12/763737712.db2.gz LJWBVYHQMKZFON-GOSISDBHSA-N 1 1 343.475 0.742 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N(C)C)C3)nn1 ZINC001047159199 763742445 /nfs/dbraw/zinc/74/24/45/763742445.db2.gz COKGDQPPBMUXBB-IHRRRGAJSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(Cc3cnnn3C)CC2)C1 ZINC001052062152 763745779 /nfs/dbraw/zinc/74/57/79/763745779.db2.gz FFEUEVDKYZCOBN-HNNXBMFYSA-N 1 1 346.479 0.746 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H]1C ZINC001088855659 763761556 /nfs/dbraw/zinc/76/15/56/763761556.db2.gz WNLISBNMLKWGAH-LTIDMASMSA-N 1 1 347.459 0.759 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3ccc(C#N)cc3F)C2)O1 ZINC001030516050 763763326 /nfs/dbraw/zinc/76/33/26/763763326.db2.gz RNFYMRLBCAWMCV-SJKOYZFVSA-N 1 1 346.406 0.717 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3ccc(C#N)cc3F)C2)O1 ZINC001030516050 763763331 /nfs/dbraw/zinc/76/33/31/763763331.db2.gz RNFYMRLBCAWMCV-SJKOYZFVSA-N 1 1 346.406 0.717 20 30 ECEDMO CCc1c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)ccn1C ZINC001052081990 763800710 /nfs/dbraw/zinc/80/07/10/763800710.db2.gz HWQRUOXCZBSTFC-HNNXBMFYSA-N 1 1 329.448 0.943 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3n[nH]c4c3CCC4)C2)C1=O ZINC001015069273 763802878 /nfs/dbraw/zinc/80/28/78/763802878.db2.gz FIFONZZYIPANCQ-IUODEOHRSA-N 1 1 343.431 0.489 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3n[nH]c4c3CCC4)C2)C1=O ZINC001015069273 763802884 /nfs/dbraw/zinc/80/28/84/763802884.db2.gz FIFONZZYIPANCQ-IUODEOHRSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]nc2C(C)C)C1 ZINC000995161202 763810204 /nfs/dbraw/zinc/81/02/04/763810204.db2.gz MCAQQCQBJVXXOB-HNNXBMFYSA-N 1 1 343.431 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]nc2C(C)C)C1 ZINC000995161202 763810212 /nfs/dbraw/zinc/81/02/12/763810212.db2.gz MCAQQCQBJVXXOB-HNNXBMFYSA-N 1 1 343.431 0.571 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2C[NH+]([C@@H]3CCN(CC=C)C3=O)C2)c1 ZINC001031963017 763822001 /nfs/dbraw/zinc/82/20/01/763822001.db2.gz AYNOGELNLIIZNV-QGZVFWFLSA-N 1 1 338.411 0.511 20 30 ECEDMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015079724 763832945 /nfs/dbraw/zinc/83/29/45/763832945.db2.gz BJKIZNPYAJRDLE-QGZVFWFLSA-N 1 1 340.427 0.644 20 30 ECEDMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015079724 763832953 /nfs/dbraw/zinc/83/29/53/763832953.db2.gz BJKIZNPYAJRDLE-QGZVFWFLSA-N 1 1 340.427 0.644 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001052092160 763833408 /nfs/dbraw/zinc/83/34/08/763833408.db2.gz UPZAQAVVHNEIOU-TVFCKZIOSA-N 1 1 331.460 0.796 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4nncn4c3)C2)CC1 ZINC001052098664 763854061 /nfs/dbraw/zinc/85/40/61/763854061.db2.gz MYQZDAOQTWUXRH-INIZCTEOSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001077575444 763864940 /nfs/dbraw/zinc/86/49/40/763864940.db2.gz WIOCVUKKOSFHIW-ZIAGYGMSSA-N 1 1 329.391 0.148 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)CC1 ZINC001052106692 763883948 /nfs/dbraw/zinc/88/39/48/763883948.db2.gz RELICOSESHXCIH-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C[C@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)c1cccnc1 ZINC001052107773 763887960 /nfs/dbraw/zinc/88/79/60/763887960.db2.gz GZSYZGVTDUJUOQ-RDJZCZTQSA-N 1 1 327.432 0.927 20 30 ECEDMO CC#CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001031973137 763893006 /nfs/dbraw/zinc/89/30/06/763893006.db2.gz XURQAOSFZOEKPE-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC001052109349 763897114 /nfs/dbraw/zinc/89/71/14/763897114.db2.gz BYNGCWXXFIUTFU-MRXNPFEDSA-N 1 1 344.459 0.794 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3[nH]cnc3CC)C2)CC1 ZINC001052112158 763906259 /nfs/dbraw/zinc/90/62/59/763906259.db2.gz OFRWTTBEIDOLBU-HNNXBMFYSA-N 1 1 329.448 0.828 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113054 763909396 /nfs/dbraw/zinc/90/93/96/763909396.db2.gz LFJKNYWNMWRGOF-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113054 763909398 /nfs/dbraw/zinc/90/93/98/763909398.db2.gz LFJKNYWNMWRGOF-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccnc3N(C)C)C2)CC1 ZINC001052117273 763927290 /nfs/dbraw/zinc/92/72/90/763927290.db2.gz JIWMABYMIABMRJ-INIZCTEOSA-N 1 1 341.459 0.613 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052119048 763935311 /nfs/dbraw/zinc/93/53/11/763935311.db2.gz IEFFYTKVMORNOQ-RDJZCZTQSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC34CCOCC4)C2)CC1 ZINC001052131685 763962618 /nfs/dbraw/zinc/96/26/18/763962618.db2.gz WZXZDWGIYLYLEB-IAGOWNOFSA-N 1 1 331.460 0.655 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C2)CC1 ZINC001052131523 763962677 /nfs/dbraw/zinc/96/26/77/763962677.db2.gz SHLSPZJKUGKILB-HOTGVXAUSA-N 1 1 332.448 0.545 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnn(C)c3)CC2)C1=O ZINC001052192475 764037003 /nfs/dbraw/zinc/03/70/03/764037003.db2.gz UJSRCTHUBRBLGV-HOTGVXAUSA-N 1 1 345.447 0.791 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001047337467 764044427 /nfs/dbraw/zinc/04/44/27/764044427.db2.gz DZULAAWBGNBNQY-RCBQFDQVSA-N 1 1 332.404 0.430 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001047338355 764045805 /nfs/dbraw/zinc/04/58/05/764045805.db2.gz VKAUIVUSYHLIMJ-RCBQFDQVSA-N 1 1 332.404 0.430 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)nn1 ZINC001098784695 768190140 /nfs/dbraw/zinc/19/01/40/768190140.db2.gz JJFSOUKPQUQCSI-UKRRQHHQSA-N 1 1 346.435 0.196 20 30 ECEDMO CN(C(=O)c1ncn(C)n1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047371707 764142684 /nfs/dbraw/zinc/14/26/84/764142684.db2.gz ARMLKNVUHAWSBS-GJZGRUSLSA-N 1 1 340.387 0.004 20 30 ECEDMO CN(C(=O)c1ncn(C)n1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047371707 764142691 /nfs/dbraw/zinc/14/26/91/764142691.db2.gz ARMLKNVUHAWSBS-GJZGRUSLSA-N 1 1 340.387 0.004 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc(=O)n1C ZINC001089865768 764151713 /nfs/dbraw/zinc/15/17/13/764151713.db2.gz UBGZUIPONKTUPA-FZKCQIBNSA-N 1 1 325.412 0.801 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C1 ZINC001047388105 764187058 /nfs/dbraw/zinc/18/70/58/764187058.db2.gz CXLOOXZHNIMGTK-ULQDDVLXSA-N 1 1 347.463 0.870 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001047388105 764187064 /nfs/dbraw/zinc/18/70/64/764187064.db2.gz CXLOOXZHNIMGTK-ULQDDVLXSA-N 1 1 347.463 0.870 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001047388105 764187070 /nfs/dbraw/zinc/18/70/70/764187070.db2.gz CXLOOXZHNIMGTK-ULQDDVLXSA-N 1 1 347.463 0.870 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001047389400 764189806 /nfs/dbraw/zinc/18/98/06/764189806.db2.gz XKXZEHKPKZWPKH-HOTGVXAUSA-N 1 1 332.448 0.842 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001047393098 764199239 /nfs/dbraw/zinc/19/92/39/764199239.db2.gz LXVDSOJJFLWIEE-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 ZINC001077577673 764227781 /nfs/dbraw/zinc/22/77/81/764227781.db2.gz SBJRVIHPTUGZDR-CHWSQXEVSA-N 1 1 330.392 0.104 20 30 ECEDMO C=CCOCC(=O)NCC[NH2+]Cc1c(Br)cnn1C ZINC001124767854 764230214 /nfs/dbraw/zinc/23/02/14/764230214.db2.gz MBPNAXFIIVFKFO-UHFFFAOYSA-N 1 1 331.214 0.591 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001047405884 764240432 /nfs/dbraw/zinc/24/04/32/764240432.db2.gz AEZQEQXBHQGUEY-IRXDYDNUSA-N 1 1 341.415 0.556 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)[nH]1 ZINC001052320763 764245521 /nfs/dbraw/zinc/24/55/21/764245521.db2.gz VPRKSFMHNKDYDP-LBPRGKRZSA-N 1 1 329.404 0.749 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001047407676 764251480 /nfs/dbraw/zinc/25/14/80/764251480.db2.gz MNJHZDJGGOZEQP-BZSNNMDCSA-N 1 1 349.475 0.157 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001047407676 764251482 /nfs/dbraw/zinc/25/14/82/764251482.db2.gz MNJHZDJGGOZEQP-BZSNNMDCSA-N 1 1 349.475 0.157 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001047408798 764254217 /nfs/dbraw/zinc/25/42/17/764254217.db2.gz CJCQNRXVCGPPGY-GJZGRUSLSA-N 1 1 345.399 0.711 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cn2)OCCO3)C1 ZINC001047411881 764261503 /nfs/dbraw/zinc/26/15/03/764261503.db2.gz GWFOBTKHFNWCOQ-KBPBESRZSA-N 1 1 333.388 0.546 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001047413102 764266446 /nfs/dbraw/zinc/26/64/46/764266446.db2.gz WKBQVAISCJCYOR-BXWFABGCSA-N 1 1 347.459 0.210 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001047413102 764266450 /nfs/dbraw/zinc/26/64/50/764266450.db2.gz WKBQVAISCJCYOR-BXWFABGCSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2COC(=O)N2)C1 ZINC000995269993 764273319 /nfs/dbraw/zinc/27/33/19/764273319.db2.gz ZOFGPQKHLKFESU-HZPDHXFCSA-N 1 1 342.399 0.474 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3cc(C)ccc3n2)C1 ZINC001047427861 764314630 /nfs/dbraw/zinc/31/46/30/764314630.db2.gz LQEMBGGGYOYJOI-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001047436369 764338840 /nfs/dbraw/zinc/33/88/40/764338840.db2.gz YNOYALLDFCQNFL-BZSNNMDCSA-N 1 1 328.412 0.941 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001047436369 764338844 /nfs/dbraw/zinc/33/88/44/764338844.db2.gz YNOYALLDFCQNFL-BZSNNMDCSA-N 1 1 328.412 0.941 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C[C@H](C)OC ZINC001099033929 764346335 /nfs/dbraw/zinc/34/63/35/764346335.db2.gz PUMONDKVOYEWLR-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ncc[nH]3)CC2)C1=O ZINC001052370622 764348064 /nfs/dbraw/zinc/34/80/64/764348064.db2.gz CWGVIPIBSWMOSU-ZIAGYGMSSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001047453849 764396735 /nfs/dbraw/zinc/39/67/35/764396735.db2.gz RNFYTAMVGLVWRM-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001047453849 764396739 /nfs/dbraw/zinc/39/67/39/764396739.db2.gz RNFYTAMVGLVWRM-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(=O)[C@H](C)CC)C2)nn1 ZINC001098784911 768210651 /nfs/dbraw/zinc/21/06/51/768210651.db2.gz MPUWOVNZZUKZKD-UKRRQHHQSA-N 1 1 348.451 0.489 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001047460536 764413076 /nfs/dbraw/zinc/41/30/76/764413076.db2.gz KFAATZYJJZJBGW-IRXDYDNUSA-N 1 1 332.448 0.842 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001047468303 764428535 /nfs/dbraw/zinc/42/85/35/764428535.db2.gz BMOPMNNLIVFNOC-GJZGRUSLSA-N 1 1 345.403 0.768 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CCCC)C1 ZINC001047470970 764436175 /nfs/dbraw/zinc/43/61/75/764436175.db2.gz GPXNGHAHRZZKCN-BBWFWOEESA-N 1 1 337.464 0.014 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)cc1 ZINC001047481173 764473263 /nfs/dbraw/zinc/47/32/63/764473263.db2.gz XLRPIXQCUVVSRG-NJAFHUGGSA-N 1 1 328.412 0.822 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCOCC2=O)CC1 ZINC001052447120 764514813 /nfs/dbraw/zinc/51/48/13/764514813.db2.gz AUAIUZLZTTYVNA-CYBMUJFWSA-N 1 1 329.828 0.568 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001047500266 764521654 /nfs/dbraw/zinc/52/16/54/764521654.db2.gz BJWDCXUDWKZBER-SOUVJXGZSA-N 1 1 332.404 0.402 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001047500266 764521659 /nfs/dbraw/zinc/52/16/59/764521659.db2.gz BJWDCXUDWKZBER-SOUVJXGZSA-N 1 1 332.404 0.402 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ncnn2C)CC1 ZINC001052458057 764542688 /nfs/dbraw/zinc/54/26/88/764542688.db2.gz XWJPGYOOFHUNCX-HOTGVXAUSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ncnn2C)CC1 ZINC001052458057 764542693 /nfs/dbraw/zinc/54/26/93/764542693.db2.gz XWJPGYOOFHUNCX-HOTGVXAUSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052459005 764545470 /nfs/dbraw/zinc/54/54/70/764545470.db2.gz INHNIWYWGQQJHN-SJORKVTESA-N 1 1 344.463 0.346 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083780882 764548189 /nfs/dbraw/zinc/54/81/89/764548189.db2.gz NSEHNSADVLTDNY-CFVMTHIKSA-N 1 1 338.839 0.668 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001047519933 764575582 /nfs/dbraw/zinc/57/55/82/764575582.db2.gz YHWLWJRLVVJFHB-HOTGVXAUSA-N 1 1 349.475 0.859 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC1 ZINC001052493340 764614605 /nfs/dbraw/zinc/61/46/05/764614605.db2.gz RPUKOXSRHLFLEP-OAHLLOKOSA-N 1 1 328.416 0.717 20 30 ECEDMO C[C@@H](CCNc1ccncc1C#N)NC(=O)CC[NH+]1CCOCC1 ZINC001106382309 768227536 /nfs/dbraw/zinc/22/75/36/768227536.db2.gz BTGJJTXZRMZWBT-AWEZNQCLSA-N 1 1 331.420 0.404 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc(N(C)C)nc2C)C1 ZINC001047555578 764685525 /nfs/dbraw/zinc/68/55/25/764685525.db2.gz ZQRGAMRXFFLJKT-STQMWFEESA-N 1 1 336.461 0.658 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc(N(C)C)nc2C)C1 ZINC001047555578 764685531 /nfs/dbraw/zinc/68/55/31/764685531.db2.gz ZQRGAMRXFFLJKT-STQMWFEESA-N 1 1 336.461 0.658 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(C(C)(C)C)c2=O)C1 ZINC001047557216 764686545 /nfs/dbraw/zinc/68/65/45/764686545.db2.gz JDKWMRYDMYHVLJ-GJZGRUSLSA-N 1 1 331.416 0.354 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(C(C)(C)C)c2=O)C1 ZINC001047557216 764686548 /nfs/dbraw/zinc/68/65/48/764686548.db2.gz JDKWMRYDMYHVLJ-GJZGRUSLSA-N 1 1 331.416 0.354 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(=O)NC1=O ZINC001089885967 764696352 /nfs/dbraw/zinc/69/63/52/764696352.db2.gz KWWMUZQVRINPTB-YJNKXOJESA-N 1 1 346.431 0.283 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCOCCO ZINC001099074691 764697101 /nfs/dbraw/zinc/69/71/01/764697101.db2.gz PWWLOHDYTFASAC-CVEARBPZSA-N 1 1 340.464 0.640 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001047567766 764713392 /nfs/dbraw/zinc/71/33/92/764713392.db2.gz UZOHNNONAMULJP-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccccc2NC(C)=O)C1 ZINC001047569034 764718840 /nfs/dbraw/zinc/71/88/40/764718840.db2.gz PMVZXCZKHJHWNB-ROUUACIJSA-N 1 1 343.427 0.714 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001212193473 764731615 /nfs/dbraw/zinc/73/16/15/764731615.db2.gz FXUGZTDDLQLKBQ-JMSVASOKSA-N 1 1 336.379 0.411 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001212193473 764731617 /nfs/dbraw/zinc/73/16/17/764731617.db2.gz FXUGZTDDLQLKBQ-JMSVASOKSA-N 1 1 336.379 0.411 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1OC ZINC001212349084 764773849 /nfs/dbraw/zinc/77/38/49/764773849.db2.gz JSSIOSMXJALEER-HZPDHXFCSA-N 1 1 341.452 0.311 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001047590378 764800958 /nfs/dbraw/zinc/80/09/58/764800958.db2.gz FCTANUJRYOYGTB-RYUDHWBXSA-N 1 1 326.828 0.939 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001047590378 764800968 /nfs/dbraw/zinc/80/09/68/764800968.db2.gz FCTANUJRYOYGTB-RYUDHWBXSA-N 1 1 326.828 0.939 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccn3cc(C)nc23)C1 ZINC001047590859 764802846 /nfs/dbraw/zinc/80/28/46/764802846.db2.gz LGEIVIKEYRRFAL-KBPBESRZSA-N 1 1 327.388 0.178 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccn3cc(C)nc23)C1 ZINC001047590859 764802857 /nfs/dbraw/zinc/80/28/57/764802857.db2.gz LGEIVIKEYRRFAL-KBPBESRZSA-N 1 1 327.388 0.178 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001052589903 764810748 /nfs/dbraw/zinc/81/07/48/764810748.db2.gz QYCOTTUMANEIAT-CQSZACIVSA-N 1 1 339.403 0.665 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001047593981 764815731 /nfs/dbraw/zinc/81/57/31/764815731.db2.gz JTCOPXOKJLMLFE-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)ccc1F ZINC001015504220 764819657 /nfs/dbraw/zinc/81/96/57/764819657.db2.gz NVYJDRMJIQGWHQ-KGLIPLIRSA-N 1 1 330.363 0.524 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)ccc1F ZINC001015504220 764819666 /nfs/dbraw/zinc/81/96/66/764819666.db2.gz NVYJDRMJIQGWHQ-KGLIPLIRSA-N 1 1 330.363 0.524 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001052600467 764833046 /nfs/dbraw/zinc/83/30/46/764833046.db2.gz YIODZPSBOXBNCK-CVEARBPZSA-N 1 1 337.464 0.579 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)[C@H]1C[N@@H+]([C@@H](C)COC)C[C@@H]1O ZINC001047610180 764872531 /nfs/dbraw/zinc/87/25/31/764872531.db2.gz RCZZPYANQDAFDO-WBAXXEDZSA-N 1 1 330.428 0.749 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)cc2)C1 ZINC001047623020 764907962 /nfs/dbraw/zinc/90/79/62/764907962.db2.gz DQSRHKPSRJLHFA-HOTGVXAUSA-N 1 1 331.416 0.869 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1=O ZINC001015544269 764920073 /nfs/dbraw/zinc/92/00/73/764920073.db2.gz DMSCSWYUZZXCMM-RISCZKNCSA-N 1 1 332.429 0.789 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1=O ZINC001015544269 764920077 /nfs/dbraw/zinc/92/00/77/764920077.db2.gz DMSCSWYUZZXCMM-RISCZKNCSA-N 1 1 332.429 0.789 20 30 ECEDMO CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC001047628557 764930608 /nfs/dbraw/zinc/93/06/08/764930608.db2.gz KKOSSDHMDLSJSD-HOTGVXAUSA-N 1 1 328.372 0.810 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001047628557 764930618 /nfs/dbraw/zinc/93/06/18/764930618.db2.gz KKOSSDHMDLSJSD-HOTGVXAUSA-N 1 1 328.372 0.810 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001047628557 764930623 /nfs/dbraw/zinc/93/06/23/764930623.db2.gz KKOSSDHMDLSJSD-HOTGVXAUSA-N 1 1 328.372 0.810 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1=O ZINC001015548013 764931591 /nfs/dbraw/zinc/93/15/91/764931591.db2.gz LMMVBRCNXSJDEV-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1=O ZINC001015548013 764931596 /nfs/dbraw/zinc/93/15/96/764931596.db2.gz LMMVBRCNXSJDEV-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC001052695192 764999483 /nfs/dbraw/zinc/99/94/83/764999483.db2.gz GYVGMDXHNNQQOQ-MRXNPFEDSA-N 1 1 328.416 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)c1 ZINC001052698235 765004314 /nfs/dbraw/zinc/00/43/14/765004314.db2.gz HDACFKLOAWQQRD-XJKSGUPXSA-N 1 1 328.416 0.782 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@H]12 ZINC000991977391 765032376 /nfs/dbraw/zinc/03/23/76/765032376.db2.gz UFIKQUFEOXINPK-GRDNDAEWSA-N 1 1 327.388 0.112 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052721157 765042664 /nfs/dbraw/zinc/04/26/64/765042664.db2.gz ABROYJLCGGOFJJ-OAGGEKHMSA-N 1 1 333.436 0.840 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cn(C)nn2)CC1 ZINC001052721615 765043720 /nfs/dbraw/zinc/04/37/20/765043720.db2.gz FVEGNXUKULGMKZ-IMJJTQAJSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cn(C)nn2)CC1 ZINC001052721615 765043726 /nfs/dbraw/zinc/04/37/26/765043726.db2.gz FVEGNXUKULGMKZ-IMJJTQAJSA-N 1 1 333.436 0.877 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000991981624 765046918 /nfs/dbraw/zinc/04/69/18/765046918.db2.gz RRSJLHCZGAHESZ-HGMXIMQMSA-N 1 1 329.404 0.605 20 30 ECEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CN(C)C(=O)COC ZINC001099102321 765055645 /nfs/dbraw/zinc/05/56/45/765055645.db2.gz MCFADVKLJBRVGO-HNNXBMFYSA-N 1 1 337.464 0.721 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000991987560 765071241 /nfs/dbraw/zinc/07/12/41/765071241.db2.gz JTYDMALBLNUGBF-RDJZCZTQSA-N 1 1 346.431 0.890 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)c1 ZINC000992011096 765148851 /nfs/dbraw/zinc/14/88/51/765148851.db2.gz QFMFQZKLFMHGHI-ZBFHGGJFSA-N 1 1 341.415 0.844 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)c1 ZINC001015679882 765151083 /nfs/dbraw/zinc/15/10/83/765151083.db2.gz OXTUCKXSKNCPHG-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001015696488 765180624 /nfs/dbraw/zinc/18/06/24/765180624.db2.gz AZOWREKSCDTEAB-HRCADAONSA-N 1 1 335.448 0.923 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001052822097 765181760 /nfs/dbraw/zinc/18/17/60/765181760.db2.gz ZUTPXBRJCXNSHO-NFAWXSAZSA-N 1 1 328.420 0.631 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001077487796 765224290 /nfs/dbraw/zinc/22/42/90/765224290.db2.gz LGNBRUCFBBBWHK-HZPDHXFCSA-N 1 1 337.464 0.618 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001052864174 765248885 /nfs/dbraw/zinc/24/88/85/765248885.db2.gz BJJRCIBYAYFAPK-ZDUSSCGKSA-N 1 1 344.419 0.968 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3cncn3)CC2)C1=O ZINC001052918202 765342535 /nfs/dbraw/zinc/34/25/35/765342535.db2.gz PZUXHEYZTROTPT-LSDHHAIUSA-N 1 1 346.435 0.036 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC)C2)cc1 ZINC001015810074 765366604 /nfs/dbraw/zinc/36/66/04/765366604.db2.gz ZELPDSZRTJHTCW-ZFWWWQNUSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)cc1 ZINC001015810074 765366610 /nfs/dbraw/zinc/36/66/10/765366610.db2.gz ZELPDSZRTJHTCW-ZFWWWQNUSA-N 1 1 329.400 0.637 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC001052957217 765411659 /nfs/dbraw/zinc/41/16/59/765411659.db2.gz CWLAVJNOIAAQIJ-CYBMUJFWSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001015863352 765457926 /nfs/dbraw/zinc/45/79/26/765457926.db2.gz VHJDYMVHRDLKPN-KBPBESRZSA-N 1 1 331.420 0.618 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001015863352 765457930 /nfs/dbraw/zinc/45/79/30/765457930.db2.gz VHJDYMVHRDLKPN-KBPBESRZSA-N 1 1 331.420 0.618 20 30 ECEDMO Cn1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)c1 ZINC001052990476 765468858 /nfs/dbraw/zinc/46/88/58/765468858.db2.gz YUHRRKNRTVOGTQ-IYBDPMFKSA-N 1 1 342.447 0.697 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001053036307 765512064 /nfs/dbraw/zinc/51/20/64/765512064.db2.gz JZLYESQIEXWRPG-DLBZAZTESA-N 1 1 348.491 0.555 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)CC[N@H+]1C ZINC001106092753 765588304 /nfs/dbraw/zinc/58/83/04/765588304.db2.gz MSAGYBCZTLSLGQ-YDHLFZDLSA-N 1 1 331.420 0.573 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001017704122 768308467 /nfs/dbraw/zinc/30/84/67/768308467.db2.gz AXMMKWBOWNUDCJ-BETUJISGSA-N 1 1 328.372 0.887 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001017704122 768308474 /nfs/dbraw/zinc/30/84/74/768308474.db2.gz AXMMKWBOWNUDCJ-BETUJISGSA-N 1 1 328.372 0.887 20 30 ECEDMO CN(CCOCCNc1ncccc1C#N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001127237811 765679372 /nfs/dbraw/zinc/67/93/72/765679372.db2.gz RAEXLEWMRBMDJY-OAHLLOKOSA-N 1 1 347.419 0.171 20 30 ECEDMO CN(CCOCCNc1ncccc1C#N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001127237811 765679375 /nfs/dbraw/zinc/67/93/75/765679375.db2.gz RAEXLEWMRBMDJY-OAHLLOKOSA-N 1 1 347.419 0.171 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCNc1ccnc(C#N)n1 ZINC001106444990 768312922 /nfs/dbraw/zinc/31/29/22/768312922.db2.gz GJSPMSCAKUXFSA-ZIAGYGMSSA-N 1 1 330.436 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)cn1 ZINC001016016402 765722885 /nfs/dbraw/zinc/72/28/85/765722885.db2.gz LGKFVCZGJWBWMU-IRXDYDNUSA-N 1 1 339.399 0.125 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001106103963 765746723 /nfs/dbraw/zinc/74/67/23/765746723.db2.gz FJJUVGMVIYNRED-WFASDCNBSA-N 1 1 331.420 0.493 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCOC3(C[NH+](CC[C@H]4CCCO4)C3)C2)[nH]1 ZINC001053223525 765786562 /nfs/dbraw/zinc/78/65/62/765786562.db2.gz AILWDXWQJARGQL-OAHLLOKOSA-N 1 1 344.415 0.982 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001077502007 765795186 /nfs/dbraw/zinc/79/51/86/765795186.db2.gz XASNXBPAHXLDDP-HUUCEWRRSA-N 1 1 325.372 0.270 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001016113044 765797645 /nfs/dbraw/zinc/79/76/45/765797645.db2.gz GLVRNSOEWAVVDH-RHSMWYFYSA-N 1 1 327.428 0.878 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001016113044 765797649 /nfs/dbraw/zinc/79/76/49/765797649.db2.gz GLVRNSOEWAVVDH-RHSMWYFYSA-N 1 1 327.428 0.878 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC[C@@H](O)CNc2ncc(C#N)cc2F)C1 ZINC001106109108 765871895 /nfs/dbraw/zinc/87/18/95/765871895.db2.gz UFJXESJNQBYCBI-CYBMUJFWSA-N 1 1 349.410 0.713 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(CC)C1)CCO2 ZINC001053278837 765890889 /nfs/dbraw/zinc/89/08/89/765890889.db2.gz AGPYYOXTOLMUNR-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(CC)C1)CCO2 ZINC001053278836 765890979 /nfs/dbraw/zinc/89/09/79/765890979.db2.gz AGPYYOXTOLMUNR-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3csc(C)n3)C2)C1=O ZINC001016197246 765893990 /nfs/dbraw/zinc/89/39/90/765893990.db2.gz HWAKAWSEXKUCED-ZFWWWQNUSA-N 1 1 348.472 0.971 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3csc(C)n3)C2)C1=O ZINC001016197246 765893998 /nfs/dbraw/zinc/89/39/98/765893998.db2.gz HWAKAWSEXKUCED-ZFWWWQNUSA-N 1 1 348.472 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@H](CC)OC)C2)C1 ZINC001053291146 765919008 /nfs/dbraw/zinc/91/90/08/765919008.db2.gz ASGQEJZMBDLHLC-IRXDYDNUSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@H](CC)OC)C2)C1 ZINC001053291146 765919013 /nfs/dbraw/zinc/91/90/13/765919013.db2.gz ASGQEJZMBDLHLC-IRXDYDNUSA-N 1 1 349.475 0.422 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)C2)c1 ZINC001016267626 766006734 /nfs/dbraw/zinc/00/67/34/766006734.db2.gz XQMCVHZIZWUVDQ-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)C2)c1 ZINC001016267626 766006741 /nfs/dbraw/zinc/00/67/41/766006741.db2.gz XQMCVHZIZWUVDQ-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C2CCN(CC(F)F)CC2)[C@@H](O)C1 ZINC001083729704 768340489 /nfs/dbraw/zinc/34/04/89/768340489.db2.gz BOFDNDWSWWZRFF-KGLIPLIRSA-N 1 1 329.391 0.148 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)C2CCN(CC(F)F)CC2)[C@@H](O)C1 ZINC001083729704 768340495 /nfs/dbraw/zinc/34/04/95/768340495.db2.gz BOFDNDWSWWZRFF-KGLIPLIRSA-N 1 1 329.391 0.148 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1coc(C(N)=O)c1)CCO2 ZINC001053359672 766030469 /nfs/dbraw/zinc/03/04/69/766030469.db2.gz RLQWFZQWPCKDRJ-UHFFFAOYSA-N 1 1 333.388 0.872 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 ZINC000992264931 766094154 /nfs/dbraw/zinc/09/41/54/766094154.db2.gz VZNNVRFYVDMGBQ-RWSFTLGLSA-N 1 1 340.811 0.450 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 ZINC000992264931 766094158 /nfs/dbraw/zinc/09/41/58/766094158.db2.gz VZNNVRFYVDMGBQ-RWSFTLGLSA-N 1 1 340.811 0.450 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 ZINC000992264930 766094294 /nfs/dbraw/zinc/09/42/94/766094294.db2.gz VZNNVRFYVDMGBQ-PGUXBMHVSA-N 1 1 340.811 0.450 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 ZINC000992264930 766094303 /nfs/dbraw/zinc/09/43/03/766094303.db2.gz VZNNVRFYVDMGBQ-PGUXBMHVSA-N 1 1 340.811 0.450 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CSCC#N)[C@H](C)C1 ZINC001053436295 766129346 /nfs/dbraw/zinc/12/93/46/766129346.db2.gz HETNYDFKFLFLQI-ZIAGYGMSSA-N 1 1 340.493 0.796 20 30 ECEDMO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016429370 766284520 /nfs/dbraw/zinc/28/45/20/766284520.db2.gz GNISARMVUMGECJ-HOTGVXAUSA-N 1 1 339.395 0.281 20 30 ECEDMO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016429370 766284527 /nfs/dbraw/zinc/28/45/27/766284527.db2.gz GNISARMVUMGECJ-HOTGVXAUSA-N 1 1 339.395 0.281 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCc3nncn3C1)CCO2 ZINC001053541050 766307134 /nfs/dbraw/zinc/30/71/34/766307134.db2.gz QLESGSVSKJWXSD-HNNXBMFYSA-N 1 1 345.447 0.720 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(C#N)n2)C1 ZINC001045767690 766343227 /nfs/dbraw/zinc/34/32/27/766343227.db2.gz YYJSVSVCFLAXBT-RBSFLKMASA-N 1 1 342.447 0.951 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045773075 766351689 /nfs/dbraw/zinc/35/16/89/766351689.db2.gz VXTRVDTZVMCRMY-AWEZNQCLSA-N 1 1 335.448 0.517 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(C)c1CC)O2 ZINC001053621217 766456611 /nfs/dbraw/zinc/45/66/11/766456611.db2.gz CGOGUIKDLFTUSA-AWEZNQCLSA-N 1 1 330.432 0.969 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3nccn3c1)O2 ZINC001053631431 766479316 /nfs/dbraw/zinc/47/93/16/766479316.db2.gz XFSUJRCDDWAPMQ-HNNXBMFYSA-N 1 1 339.399 0.716 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC[C@]2(CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001045924036 766497077 /nfs/dbraw/zinc/49/70/77/766497077.db2.gz GGHQJGDQFOIPRQ-CXAGYDPISA-N 1 1 346.435 0.473 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC[C@]2(CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001045924036 766497082 /nfs/dbraw/zinc/49/70/82/766497082.db2.gz GGHQJGDQFOIPRQ-CXAGYDPISA-N 1 1 346.435 0.473 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC(=O)N(CCC)C1)O2 ZINC001053671011 766551038 /nfs/dbraw/zinc/55/10/38/766551038.db2.gz ZNEQEHUCTKXJJP-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001045982772 766553322 /nfs/dbraw/zinc/55/33/22/766553322.db2.gz FPNCCLJWYGQPGJ-KBXCAEBGSA-N 1 1 348.447 0.865 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(COC)on1)O2 ZINC001053674611 766556081 /nfs/dbraw/zinc/55/60/81/766556081.db2.gz QLNXPOAMOFCWPB-CYBMUJFWSA-N 1 1 333.388 0.808 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)s1)O2 ZINC001053678968 766565650 /nfs/dbraw/zinc/56/56/50/766565650.db2.gz QOGTZYQRPGUJKM-LBPRGKRZSA-N 1 1 347.440 0.834 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N3CCN(C(=O)C4CC4)CC3)C2)C1=O ZINC001045991680 766572295 /nfs/dbraw/zinc/57/22/95/766572295.db2.gz CLVYANBULSKEBM-IAGOWNOFSA-N 1 1 346.475 0.402 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(=O)n(CC)n1)O2 ZINC001053681568 766573223 /nfs/dbraw/zinc/57/32/23/766573223.db2.gz NEBZVIYETRFQPC-AWEZNQCLSA-N 1 1 344.415 0.250 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3C)CC2)C1 ZINC001046004258 766608662 /nfs/dbraw/zinc/60/86/62/766608662.db2.gz OELIORJTLMVKDM-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)O2 ZINC001053700527 766619193 /nfs/dbraw/zinc/61/91/93/766619193.db2.gz WUQSYHONWGKNBD-JKSUJKDBSA-N 1 1 335.448 0.080 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700527 766619198 /nfs/dbraw/zinc/61/91/98/766619198.db2.gz WUQSYHONWGKNBD-JKSUJKDBSA-N 1 1 335.448 0.080 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C(C)=O)CCO3)CCC[C@@H]12 ZINC000992457040 766620562 /nfs/dbraw/zinc/62/05/62/766620562.db2.gz QJHWHRIYPLCHMT-LZLYRXPVSA-N 1 1 335.448 0.923 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC001046007761 766621290 /nfs/dbraw/zinc/62/12/90/766621290.db2.gz KEPAFMOQAONYBX-GJZGRUSLSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC001046007761 766621293 /nfs/dbraw/zinc/62/12/93/766621293.db2.gz KEPAFMOQAONYBX-GJZGRUSLSA-N 1 1 327.856 0.994 20 30 ECEDMO CCn1nncc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011575 766637150 /nfs/dbraw/zinc/63/71/50/766637150.db2.gz FCHYRJQVWURLBY-HUUCEWRRSA-N 1 1 345.451 0.176 20 30 ECEDMO CCn1nncc1C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011575 766637157 /nfs/dbraw/zinc/63/71/57/766637157.db2.gz FCHYRJQVWURLBY-HUUCEWRRSA-N 1 1 345.451 0.176 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3nnc[nH]3)CC2)C1 ZINC001046017813 766654551 /nfs/dbraw/zinc/65/45/51/766654551.db2.gz QYDUCOCDMOYNHL-HNNXBMFYSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001046017813 766654554 /nfs/dbraw/zinc/65/45/54/766654554.db2.gz QYDUCOCDMOYNHL-HNNXBMFYSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001046017813 766654557 /nfs/dbraw/zinc/65/45/57/766654557.db2.gz QYDUCOCDMOYNHL-HNNXBMFYSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC001046020317 766662272 /nfs/dbraw/zinc/66/22/72/766662272.db2.gz QJAPQKBOZRISFD-IAGOWNOFSA-N 1 1 348.491 0.697 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 ZINC001046020731 766663659 /nfs/dbraw/zinc/66/36/59/766663659.db2.gz XFLLDNBJPWYHTQ-HZPDHXFCSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@](C)(O)C3CC3)CC2)C1 ZINC001046021226 766665742 /nfs/dbraw/zinc/66/57/42/766665742.db2.gz DEGXWYLGAHDSSW-HKUYNNGSSA-N 1 1 333.476 0.779 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncccc3O)CC2)C1 ZINC001046024362 766676560 /nfs/dbraw/zinc/67/65/60/766676560.db2.gz KTVKDZIOUDURAI-HNNXBMFYSA-N 1 1 328.416 0.643 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ncccc3O)CC2)C1 ZINC001046024362 766676562 /nfs/dbraw/zinc/67/65/62/766676562.db2.gz KTVKDZIOUDURAI-HNNXBMFYSA-N 1 1 328.416 0.643 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046027040 766684582 /nfs/dbraw/zinc/68/45/82/766684582.db2.gz ISMHWYIELXDHAM-KRWDZBQOSA-N 1 1 327.432 0.261 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000994750697 766687250 /nfs/dbraw/zinc/68/72/50/766687250.db2.gz BPTCTNBORUJHSF-SJORKVTESA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@@H]12 ZINC000992485547 766692476 /nfs/dbraw/zinc/69/24/76/766692476.db2.gz GDLLKKYQJCZBHR-FZKQIMNGSA-N 1 1 346.431 0.453 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](O)C(C)C)CC2)C1 ZINC001046029443 766694467 /nfs/dbraw/zinc/69/44/67/766694467.db2.gz SXLIAFVEADQTFJ-LSDHHAIUSA-N 1 1 329.872 0.974 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](O)C(C)C)CC2)C1 ZINC001046029443 766694469 /nfs/dbraw/zinc/69/44/69/766694469.db2.gz SXLIAFVEADQTFJ-LSDHHAIUSA-N 1 1 329.872 0.974 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC001046029762 766694979 /nfs/dbraw/zinc/69/49/79/766694979.db2.gz ARXMSNHCIHFXMW-OAHLLOKOSA-N 1 1 329.448 0.847 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC001046030706 766698247 /nfs/dbraw/zinc/69/82/47/766698247.db2.gz ZDCCHQQTLHZSKM-HNNXBMFYSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccnnc2)C1 ZINC001016670328 766698961 /nfs/dbraw/zinc/69/89/61/766698961.db2.gz KJCBQXKTNLWOAX-GPANFISMSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccnnc2)C1 ZINC001016670328 766698965 /nfs/dbraw/zinc/69/89/65/766698965.db2.gz KJCBQXKTNLWOAX-GPANFISMSA-N 1 1 341.415 0.293 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC001046032462 766705885 /nfs/dbraw/zinc/70/58/85/766705885.db2.gz DDLFCIFYAFEMEG-KRWDZBQOSA-N 1 1 329.448 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)C1 ZINC001046033728 766711996 /nfs/dbraw/zinc/71/19/96/766711996.db2.gz JPHPXJPQDZTIRU-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4ccncc34)CC2)C1 ZINC001046035291 766719829 /nfs/dbraw/zinc/71/98/29/766719829.db2.gz IUGHKGZDKWSHQG-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC#CC)C2)CC1 ZINC001046036962 766729960 /nfs/dbraw/zinc/72/99/60/766729960.db2.gz QRHVQFAMCSCITD-MOPGFXCFSA-N 1 1 342.487 0.326 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1 ZINC001046037733 766735626 /nfs/dbraw/zinc/73/56/26/766735626.db2.gz XJPXYRVUMBWYLA-GVDBMIGSSA-N 1 1 341.459 0.755 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046037733 766735636 /nfs/dbraw/zinc/73/56/36/766735636.db2.gz XJPXYRVUMBWYLA-GVDBMIGSSA-N 1 1 341.459 0.755 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046037733 766735646 /nfs/dbraw/zinc/73/56/46/766735646.db2.gz XJPXYRVUMBWYLA-GVDBMIGSSA-N 1 1 341.459 0.755 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046037845 766736156 /nfs/dbraw/zinc/73/61/56/766736156.db2.gz ARXXUVCNQAYLHU-LPHOPBHVSA-N 1 1 348.491 0.697 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)C1 ZINC001046038636 766739605 /nfs/dbraw/zinc/73/96/05/766739605.db2.gz GYBWWIBMZXQALQ-AWEZNQCLSA-N 1 1 340.431 0.976 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)C1 ZINC001046040172 766745043 /nfs/dbraw/zinc/74/50/43/766745043.db2.gz FWPREMLMEBDELK-WMZOPIPTSA-N 1 1 341.459 0.297 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC001046039971 766745334 /nfs/dbraw/zinc/74/53/34/766745334.db2.gz BWAGBQIZMOXUPI-QGZVFWFLSA-N 1 1 347.438 0.708 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1OC ZINC001212264725 766748336 /nfs/dbraw/zinc/74/83/36/766748336.db2.gz PSQGJZVLTWWPSZ-NWANDNLSSA-N 1 1 337.445 0.539 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1OC ZINC001212264725 766748339 /nfs/dbraw/zinc/74/83/39/766748339.db2.gz PSQGJZVLTWWPSZ-NWANDNLSSA-N 1 1 337.445 0.539 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC001046041885 766753808 /nfs/dbraw/zinc/75/38/08/766753808.db2.gz UOFYLCTYOYENMD-SJORKVTESA-N 1 1 341.459 0.297 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn4cccnc4n3)CC2)C1 ZINC001046042848 766758132 /nfs/dbraw/zinc/75/81/32/766758132.db2.gz OCAMVSPMZADLRF-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC001046043321 766761213 /nfs/dbraw/zinc/76/12/13/766761213.db2.gz BYBROUQETGKISA-LMMKCTJWSA-N 1 1 331.460 0.797 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)n(C)n3)CC2)C1 ZINC001046044002 766765117 /nfs/dbraw/zinc/76/51/17/766765117.db2.gz HAVOFWVIZDGTNG-OAHLLOKOSA-N 1 1 347.463 0.837 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc4nccn4c3)CC2)C1 ZINC001046044395 766766473 /nfs/dbraw/zinc/76/64/73/766766473.db2.gz VYGIEAYMRJFRFA-INIZCTEOSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC001046045339 766769715 /nfs/dbraw/zinc/76/97/15/766769715.db2.gz WOMJWBIPIOLCEX-INIZCTEOSA-N 1 1 329.448 0.123 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+](CC(=O)NC)C2)CC1 ZINC001046048996 766781830 /nfs/dbraw/zinc/78/18/30/766781830.db2.gz HTQHZXKHXABHLV-OAHLLOKOSA-N 1 1 336.480 0.553 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)C1 ZINC001046049235 766782388 /nfs/dbraw/zinc/78/23/88/766782388.db2.gz LPDANKXJMOEQHT-INIZCTEOSA-N 1 1 329.448 0.502 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046050141 766786599 /nfs/dbraw/zinc/78/65/99/766786599.db2.gz FTJAPSZZFXRKPI-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046053429 766797399 /nfs/dbraw/zinc/79/73/99/766797399.db2.gz BFCQFBLINCUVOP-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)CC2)C1 ZINC001046054436 766800401 /nfs/dbraw/zinc/80/04/01/766800401.db2.gz NIEKQYXKPIRGEN-CABCVRRESA-N 1 1 344.463 0.629 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)CC2)C1 ZINC001046054771 766803417 /nfs/dbraw/zinc/80/34/17/766803417.db2.gz PSEJXKLKWCMAQV-CABCVRRESA-N 1 1 342.447 0.076 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)c3cncnc3)CC2)C1 ZINC001046054976 766804304 /nfs/dbraw/zinc/80/43/04/766804304.db2.gz TUKFHFXXPQABLJ-DOTOQJQBSA-N 1 1 329.448 0.985 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046055882 766808477 /nfs/dbraw/zinc/80/84/77/766808477.db2.gz JWGLSTBOSHFEFO-YJBOKZPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccnc3OC)CC2)C1 ZINC001046057670 766814371 /nfs/dbraw/zinc/81/43/71/766814371.db2.gz TVHOAHYCOFEXPQ-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@H]3CC[N@H+]([C@@H](C)C(N)=O)C3)CC2)C1 ZINC001046059401 766822817 /nfs/dbraw/zinc/82/28/17/766822817.db2.gz GMLSDGNXJDIWLL-GJZGRUSLSA-N 1 1 334.464 0.435 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ccc(C)n3)CC2)C1 ZINC001046062315 766833341 /nfs/dbraw/zinc/83/33/41/766833341.db2.gz DKUSGRUVJBZIDF-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)cc3OC)CC2)C1 ZINC001046064400 766843847 /nfs/dbraw/zinc/84/38/47/766843847.db2.gz MPPWOUSHTNGBKZ-AWEZNQCLSA-N 1 1 346.431 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)COCC)CC1 ZINC001060753175 766851661 /nfs/dbraw/zinc/85/16/61/766851661.db2.gz BRKHCYYPJOKVIV-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)COCC)CC1 ZINC001060753175 766851671 /nfs/dbraw/zinc/85/16/71/766851671.db2.gz BRKHCYYPJOKVIV-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cscn3)CC2)C1 ZINC001046068009 766861715 /nfs/dbraw/zinc/86/17/15/766861715.db2.gz ALDHJVAHCQLXLS-MRXNPFEDSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3nccc3C)CC2)C1 ZINC001046069418 766867508 /nfs/dbraw/zinc/86/75/08/766867508.db2.gz FUUFCJHEYGPFPI-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)COC3CCOCC3)CC2)C1 ZINC001046069674 766868952 /nfs/dbraw/zinc/86/89/52/766868952.db2.gz HXXBFNZRNYIMRC-KRWDZBQOSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046069666 766869207 /nfs/dbraw/zinc/86/92/07/766869207.db2.gz JRAPZQLCWWLIOM-AEFFLSMTSA-N 1 1 343.475 0.830 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046069666 766869217 /nfs/dbraw/zinc/86/92/17/766869217.db2.gz JRAPZQLCWWLIOM-AEFFLSMTSA-N 1 1 343.475 0.830 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046069666 766869227 /nfs/dbraw/zinc/86/92/27/766869227.db2.gz JRAPZQLCWWLIOM-AEFFLSMTSA-N 1 1 343.475 0.830 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046070499 766873864 /nfs/dbraw/zinc/87/38/64/766873864.db2.gz OOMLIEOQEGDWIS-MSOLQXFVSA-N 1 1 347.507 0.991 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(C)nc3C)CC2)C1 ZINC001046072402 766880666 /nfs/dbraw/zinc/88/06/66/766880666.db2.gz DBIDJAFKACLSAV-QGZVFWFLSA-N 1 1 341.459 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)CN1CC(N)=O ZINC001089652588 766885104 /nfs/dbraw/zinc/88/51/04/766885104.db2.gz HCVLWCPKOKLXLY-CABCVRRESA-N 1 1 334.464 0.176 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)CN1CC(N)=O ZINC001089652588 766885114 /nfs/dbraw/zinc/88/51/14/766885114.db2.gz HCVLWCPKOKLXLY-CABCVRRESA-N 1 1 334.464 0.176 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)CO2 ZINC001053805092 766893889 /nfs/dbraw/zinc/89/38/89/766893889.db2.gz LKCZQOUBNONSBU-RBSFLKMASA-N 1 1 335.448 0.827 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnn(CC)c3)CC2)C1 ZINC001046076033 766901719 /nfs/dbraw/zinc/90/17/19/766901719.db2.gz APKRMLUZDGMZLD-GOSISDBHSA-N 1 1 343.475 0.687 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC001046078964 766911795 /nfs/dbraw/zinc/91/17/95/766911795.db2.gz ODOQYUNUDNOJQL-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC001046078963 766912153 /nfs/dbraw/zinc/91/21/53/766912153.db2.gz ODOQYUNUDNOJQL-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](CC#CC)C3)CC2)cn1 ZINC001046079385 766913328 /nfs/dbraw/zinc/91/33/28/766913328.db2.gz VAHOEHZALRGBDD-LJQANCHMSA-N 1 1 336.439 0.918 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046079657 766914652 /nfs/dbraw/zinc/91/46/52/766914652.db2.gz YZMBRWKAVNUBRU-HNNXBMFYSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001046079657 766914654 /nfs/dbraw/zinc/91/46/54/766914654.db2.gz YZMBRWKAVNUBRU-HNNXBMFYSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001046079657 766914658 /nfs/dbraw/zinc/91/46/58/766914658.db2.gz YZMBRWKAVNUBRU-HNNXBMFYSA-N 1 1 332.452 0.532 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3[nH]cnc3CC)CC2)C1 ZINC001046080203 766915016 /nfs/dbraw/zinc/91/50/16/766915016.db2.gz BYKVIFKJYYLHLS-HNNXBMFYSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3Cc4cccnc4C3)CC2)C1 ZINC001046081563 766919128 /nfs/dbraw/zinc/91/91/28/766919128.db2.gz MDPIISYBOFOMPX-ROUUACIJSA-N 1 1 338.455 0.648 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC001046081525 766919297 /nfs/dbraw/zinc/91/92/97/766919297.db2.gz GXDNHZPKXDYCMR-MRXNPFEDSA-N 1 1 334.464 0.403 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)C1 ZINC001046082889 766922253 /nfs/dbraw/zinc/92/22/53/766922253.db2.gz XJSOBDGFMGYJNI-GOSISDBHSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncc(C(N)=O)c3)CC2)C1 ZINC001046084855 766926035 /nfs/dbraw/zinc/92/60/35/766926035.db2.gz WMOMVOCXLDPCLO-INIZCTEOSA-N 1 1 343.431 0.199 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046085132 766926445 /nfs/dbraw/zinc/92/64/45/766926445.db2.gz MBYBCLKRYRFPEO-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCN([C@@H]3CC[N@@H+](C(C)C)C3)CC2)CC1 ZINC001046086184 766928110 /nfs/dbraw/zinc/92/81/10/766928110.db2.gz MXJXHTYKQYHHSR-LJQANCHMSA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCN([C@@H]3CC[N@H+](C(C)C)C3)CC2)CC1 ZINC001046086184 766928112 /nfs/dbraw/zinc/92/81/12/766928112.db2.gz MXJXHTYKQYHHSR-LJQANCHMSA-N 1 1 346.519 0.959 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC001046086052 766928158 /nfs/dbraw/zinc/92/81/58/766928158.db2.gz GKOQHMUDIZVVIW-WMZOPIPTSA-N 1 1 343.475 0.765 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046086528 766928569 /nfs/dbraw/zinc/92/85/69/766928569.db2.gz WDLYNGHFWNVVMU-IRXDYDNUSA-N 1 1 333.480 0.603 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC34CCOCC4)CC2)C1 ZINC001046089819 766932060 /nfs/dbraw/zinc/93/20/60/766932060.db2.gz JKAOFVCJUCEFBI-DLBZAZTESA-N 1 1 331.460 0.655 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CCC(N)=O)cc2)[C@@H](O)C1 ZINC001083764642 766948982 /nfs/dbraw/zinc/94/89/82/766948982.db2.gz QOTLEXFGKLBMPX-CVEARBPZSA-N 1 1 331.416 0.456 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCN(C)C(C)=O)C2)nn1 ZINC001098779893 766975266 /nfs/dbraw/zinc/97/52/66/766975266.db2.gz MSAYEDGPSUCTIF-INIZCTEOSA-N 1 1 348.451 0.586 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc3ncc(C)cn3n1)CO2 ZINC001053838576 766983382 /nfs/dbraw/zinc/98/33/82/766983382.db2.gz GPMOZYGVTJXDSF-CYBMUJFWSA-N 1 1 342.403 0.582 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nnc(C)[nH]2)C1 ZINC001031740373 766990306 /nfs/dbraw/zinc/99/03/06/766990306.db2.gz ANLKBEVRMMNEQE-DOMZBBRYSA-N 1 1 330.436 0.320 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nnc(C)[nH]2)C1 ZINC001031740373 766990312 /nfs/dbraw/zinc/99/03/12/766990312.db2.gz ANLKBEVRMMNEQE-DOMZBBRYSA-N 1 1 330.436 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001046176121 767021456 /nfs/dbraw/zinc/02/14/56/767021456.db2.gz WBJIJNJIYKRYTH-QAPCUYQASA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001046176121 767021464 /nfs/dbraw/zinc/02/14/64/767021464.db2.gz WBJIJNJIYKRYTH-QAPCUYQASA-N 1 1 345.447 0.710 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CCCNC1=O)CO2 ZINC001053857645 767042929 /nfs/dbraw/zinc/04/29/29/767042929.db2.gz KCKKIPSFEBJPCM-CQSZACIVSA-N 1 1 336.436 0.327 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001046206443 767063446 /nfs/dbraw/zinc/06/34/46/767063446.db2.gz UVDDRZJNXMADLS-GUYCJALGSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001046206443 767063457 /nfs/dbraw/zinc/06/34/57/767063457.db2.gz UVDDRZJNXMADLS-GUYCJALGSA-N 1 1 346.435 0.105 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001089693717 767069814 /nfs/dbraw/zinc/06/98/14/767069814.db2.gz ODOMJMRDGPUENL-SOUVJXGZSA-N 1 1 335.448 0.649 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219940 767087161 /nfs/dbraw/zinc/08/71/61/767087161.db2.gz QYGOJLKMTHRODG-MJGOQNOKSA-N 1 1 342.443 0.969 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046223035 767091057 /nfs/dbraw/zinc/09/10/57/767091057.db2.gz GEYCCKIQOTZSRO-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046223035 767091065 /nfs/dbraw/zinc/09/10/65/767091065.db2.gz GEYCCKIQOTZSRO-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3c(c1)nnn3C)CO2 ZINC001053872108 767093120 /nfs/dbraw/zinc/09/31/20/767093120.db2.gz SEZZWFAVLKZWKG-CYBMUJFWSA-N 1 1 342.403 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2nocc2C)C1 ZINC000938755863 767106840 /nfs/dbraw/zinc/10/68/40/767106840.db2.gz ATUYBOUXMFXLBH-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2nocc2C)C1 ZINC000938755863 767106842 /nfs/dbraw/zinc/10/68/42/767106842.db2.gz ATUYBOUXMFXLBH-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC000938756432 767107066 /nfs/dbraw/zinc/10/70/66/767107066.db2.gz PDTJQZCFVGCZAZ-KGLIPLIRSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC000938756432 767107067 /nfs/dbraw/zinc/10/70/67/767107067.db2.gz PDTJQZCFVGCZAZ-KGLIPLIRSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccncc2)C1 ZINC000938756538 767107077 /nfs/dbraw/zinc/10/70/77/767107077.db2.gz REAFWGSKKACKNU-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccncc2)C1 ZINC000938756538 767107078 /nfs/dbraw/zinc/10/70/78/767107078.db2.gz REAFWGSKKACKNU-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046287025 767128580 /nfs/dbraw/zinc/12/85/80/767128580.db2.gz HUCSLPIQHBXRHT-RHSMWYFYSA-N 1 1 328.372 0.747 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046289243 767130035 /nfs/dbraw/zinc/13/00/35/767130035.db2.gz SXRBDRRWJODEER-YOEHRIQHSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046289243 767130038 /nfs/dbraw/zinc/13/00/38/767130038.db2.gz SXRBDRRWJODEER-YOEHRIQHSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046289576 767130298 /nfs/dbraw/zinc/13/02/98/767130298.db2.gz YGNMNMAUIITLDR-QAPCUYQASA-N 1 1 327.384 0.727 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046289576 767130300 /nfs/dbraw/zinc/13/03/00/767130300.db2.gz YGNMNMAUIITLDR-QAPCUYQASA-N 1 1 327.384 0.727 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001046298686 767134567 /nfs/dbraw/zinc/13/45/67/767134567.db2.gz QKWSSCJGYVXBSU-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001046298686 767134570 /nfs/dbraw/zinc/13/45/70/767134570.db2.gz QKWSSCJGYVXBSU-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001089734065 767135600 /nfs/dbraw/zinc/13/56/00/767135600.db2.gz GYVGSDQBCFDWRM-GFCCVEGCSA-N 1 1 334.424 0.170 20 30 ECEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001089736009 767137284 /nfs/dbraw/zinc/13/72/84/767137284.db2.gz SNEDSGXWKSWJQT-KBPBESRZSA-N 1 1 343.493 0.861 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001046312445 767141688 /nfs/dbraw/zinc/14/16/88/767141688.db2.gz XYXXBGNUEWANSH-CQSZACIVSA-N 1 1 335.448 0.517 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001046329388 767152084 /nfs/dbraw/zinc/15/20/84/767152084.db2.gz NZDKQZLJJBWHOX-LNSITVRQSA-N 1 1 347.394 0.730 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001046329388 767152085 /nfs/dbraw/zinc/15/20/85/767152085.db2.gz NZDKQZLJJBWHOX-LNSITVRQSA-N 1 1 347.394 0.730 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cn(C)nc3CC)C2)C1=O ZINC001031754347 767153272 /nfs/dbraw/zinc/15/32/72/767153272.db2.gz ZDVWNDLEKWLICW-MRXNPFEDSA-N 1 1 345.447 0.431 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3onc(C)c3C)C2)C1=O ZINC001031756352 767159185 /nfs/dbraw/zinc/15/91/85/767159185.db2.gz AYVDVHXWMXYOQI-AWEZNQCLSA-N 1 1 332.404 0.740 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@H](OC)C1 ZINC001212291160 767167011 /nfs/dbraw/zinc/16/70/11/767167011.db2.gz DVYYIYJFDJZSKA-HUUCEWRRSA-N 1 1 334.420 0.254 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nnc[nH]1 ZINC001089791902 767199058 /nfs/dbraw/zinc/19/90/58/767199058.db2.gz LJOKXWIZYSBYPR-FZKCQIBNSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nc[nH]n1 ZINC001089791902 767199060 /nfs/dbraw/zinc/19/90/60/767199060.db2.gz LJOKXWIZYSBYPR-FZKCQIBNSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nc[nH]n1 ZINC001089791902 767199062 /nfs/dbraw/zinc/19/90/62/767199062.db2.gz LJOKXWIZYSBYPR-FZKCQIBNSA-N 1 1 327.432 0.929 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCC(=O)N1C)CO2 ZINC001053887106 767204962 /nfs/dbraw/zinc/20/49/62/767204962.db2.gz HQIVDFGNNJHAPG-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 ZINC001212316478 767207540 /nfs/dbraw/zinc/20/75/40/767207540.db2.gz QSYUZFHNGXWODK-IACUBPJLSA-N 1 1 330.450 0.201 20 30 ECEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 ZINC001212316478 767207542 /nfs/dbraw/zinc/20/75/42/767207542.db2.gz QSYUZFHNGXWODK-IACUBPJLSA-N 1 1 330.450 0.201 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@H](OC)C1 ZINC001212322818 767214861 /nfs/dbraw/zinc/21/48/61/767214861.db2.gz JWYJUNRSMJMVNA-BPLDGKMQSA-N 1 1 344.419 0.908 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnn(CCF)c3)C2)C1=O ZINC001031800377 767227209 /nfs/dbraw/zinc/22/72/09/767227209.db2.gz NCJFYIXASULDSQ-OAHLLOKOSA-N 1 1 349.410 0.301 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001078284061 782612201 /nfs/dbraw/zinc/61/22/01/782612201.db2.gz XIYWTQKYCYAGET-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2CC[C@H]1[C@@H]1C[N@@H+](CC(=O)N3CCC3)C[C@H]12 ZINC001089805214 767233112 /nfs/dbraw/zinc/23/31/12/767233112.db2.gz DCFRCTQIVZIXRQ-FJIDUMEYSA-N 1 1 341.455 0.801 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CS(=O)(=O)C1 ZINC001089807427 767235787 /nfs/dbraw/zinc/23/57/87/767235787.db2.gz ZKHCWELOAUFSTJ-UKMLZYKCSA-N 1 1 336.457 0.223 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001046466975 767243804 /nfs/dbraw/zinc/24/38/04/767243804.db2.gz UWAGRDWLAAUZQF-QGZVFWFLSA-N 1 1 334.420 0.660 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001212340173 767263479 /nfs/dbraw/zinc/26/34/79/767263479.db2.gz FGJCZCAOQXALAX-MGPQQGTHSA-N 1 1 325.453 0.881 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001212340173 767263482 /nfs/dbraw/zinc/26/34/82/767263482.db2.gz FGJCZCAOQXALAX-MGPQQGTHSA-N 1 1 325.453 0.881 20 30 ECEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001046505971 767267686 /nfs/dbraw/zinc/26/76/86/767267686.db2.gz NOGKCFDQJZZPCC-RYRKJORJSA-N 1 1 337.464 0.633 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046539061 767290141 /nfs/dbraw/zinc/29/01/41/767290141.db2.gz NPEGQCUOQLPNHE-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046539061 767290144 /nfs/dbraw/zinc/29/01/44/767290144.db2.gz NPEGQCUOQLPNHE-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001046540946 767292043 /nfs/dbraw/zinc/29/20/43/767292043.db2.gz BFQMSHABRZFWMP-XJKSGUPXSA-N 1 1 347.444 0.724 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001046540946 767292044 /nfs/dbraw/zinc/29/20/44/767292044.db2.gz BFQMSHABRZFWMP-XJKSGUPXSA-N 1 1 347.444 0.724 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCOCC2=O)C1 ZINC001089819847 767309414 /nfs/dbraw/zinc/30/94/14/767309414.db2.gz JAHQFSZRZMAKNY-VGWMRTNUSA-N 1 1 333.432 0.200 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2C#N)C1 ZINC001046577815 767324072 /nfs/dbraw/zinc/32/40/72/767324072.db2.gz VHFKTMKLQSCKOI-YIYPIFLZSA-N 1 1 328.420 0.853 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2n(n1)CCO2 ZINC001089821751 767331178 /nfs/dbraw/zinc/33/11/78/767331178.db2.gz YBRSBPPXLDYFBB-NHIYQJMISA-N 1 1 326.400 0.691 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)cn1 ZINC001089825364 767347994 /nfs/dbraw/zinc/34/79/94/767347994.db2.gz BZRWHMHCEHFIPQ-MPTYRVRUSA-N 1 1 340.427 0.586 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn(C)c(=O)c1 ZINC001089825518 767348015 /nfs/dbraw/zinc/34/80/15/767348015.db2.gz CFTVVVGNGFXMAI-YVSFHVDLSA-N 1 1 325.412 0.801 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001106147823 767353417 /nfs/dbraw/zinc/35/34/17/767353417.db2.gz YMIQRMPPUQUWFW-KGLIPLIRSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncccc2CC)C1 ZINC000994999618 767365615 /nfs/dbraw/zinc/36/56/15/767365615.db2.gz AOQAFNXMCQUQGJ-INIZCTEOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncccc2CC)C1 ZINC000994999618 767365627 /nfs/dbraw/zinc/36/56/27/767365627.db2.gz AOQAFNXMCQUQGJ-INIZCTEOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CS(=O)(=O)C1 ZINC001089829362 767367280 /nfs/dbraw/zinc/36/72/80/767367280.db2.gz XWYCDKIVGPDUSS-FZKCQIBNSA-N 1 1 336.457 0.223 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)cn1 ZINC001089829219 767367549 /nfs/dbraw/zinc/36/75/49/767367549.db2.gz UQFJMPBWADMPJV-FQLMCAECSA-N 1 1 328.416 0.749 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001046619480 767374804 /nfs/dbraw/zinc/37/48/04/767374804.db2.gz SSTSCZCMUOGETK-SFHVURJKSA-N 1 1 330.432 0.741 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001046620866 767375036 /nfs/dbraw/zinc/37/50/36/767375036.db2.gz GRGPDTQHLCVIDZ-LJISPDSOSA-N 1 1 342.447 0.807 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1C#N ZINC001106153030 767386173 /nfs/dbraw/zinc/38/61/73/767386173.db2.gz NVAQARAGGWYAPJ-VHDGCEQUSA-N 1 1 331.420 0.491 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(NC(C)=O)ccc2C)C1 ZINC001078288325 782620188 /nfs/dbraw/zinc/62/01/88/782620188.db2.gz WWCRQLFXHFXEQI-IAGOWNOFSA-N 1 1 329.400 0.752 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(NC(C)=O)ccc2C)C1 ZINC001078288325 782620191 /nfs/dbraw/zinc/62/01/91/782620191.db2.gz WWCRQLFXHFXEQI-IAGOWNOFSA-N 1 1 329.400 0.752 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC001089832721 767397824 /nfs/dbraw/zinc/39/78/24/767397824.db2.gz YCXSNSPECXUXFO-YVSFHVDLSA-N 1 1 344.459 0.594 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046629360 767398042 /nfs/dbraw/zinc/39/80/42/767398042.db2.gz XOSJQILDHDJUAD-JTDSTZFVSA-N 1 1 343.402 0.879 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046629360 767398054 /nfs/dbraw/zinc/39/80/54/767398054.db2.gz XOSJQILDHDJUAD-JTDSTZFVSA-N 1 1 343.402 0.879 20 30 ECEDMO Cc1cc(NC[C@@H](O)CNC(=O)C[N@H+](C)C2CCC2)c(C#N)cn1 ZINC001106153852 767403728 /nfs/dbraw/zinc/40/37/28/767403728.db2.gz BCAKLCULEOMTLB-OAHLLOKOSA-N 1 1 331.420 0.057 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001046646600 767414984 /nfs/dbraw/zinc/41/49/84/767414984.db2.gz AABHXYCBFYQULL-RJZRQDKASA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001046646600 767414990 /nfs/dbraw/zinc/41/49/90/767414990.db2.gz AABHXYCBFYQULL-RJZRQDKASA-N 1 1 344.419 0.374 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ncc(OC)cn1 ZINC001089836985 767432889 /nfs/dbraw/zinc/43/28/89/767432889.db2.gz WUOWZFVYBLJAMP-XZDPQHSOSA-N 1 1 326.400 0.901 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(OCC)no3)C2)C1=O ZINC001031852996 767433847 /nfs/dbraw/zinc/43/38/47/767433847.db2.gz UOBSNCVUBBUVGX-ZDUSSCGKSA-N 1 1 348.403 0.522 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)N1CCOCC1)CO2 ZINC001053956372 767446782 /nfs/dbraw/zinc/44/67/82/767446782.db2.gz FKOBMBTYDAAOBV-OAHLLOKOSA-N 1 1 337.464 0.633 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001046680484 767468712 /nfs/dbraw/zinc/46/87/12/767468712.db2.gz DNKRKGVRMCVJMQ-KRWDZBQOSA-N 1 1 343.435 0.900 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001046680484 767468715 /nfs/dbraw/zinc/46/87/15/767468715.db2.gz DNKRKGVRMCVJMQ-KRWDZBQOSA-N 1 1 343.435 0.900 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001106169856 767479745 /nfs/dbraw/zinc/47/97/45/767479745.db2.gz LZAPDPZJEIKKEG-LSDHHAIUSA-N 1 1 346.435 0.358 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(N3CCOCC3)CCC1)CO2 ZINC001053970465 767493442 /nfs/dbraw/zinc/49/34/42/767493442.db2.gz NFPKYCXVTSDNBE-MRXNPFEDSA-N 1 1 349.475 0.777 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc3nccc(C)n3n1)CO2 ZINC001053997169 767557135 /nfs/dbraw/zinc/55/71/35/767557135.db2.gz WBZGQEXEKCJJLE-ZDUSSCGKSA-N 1 1 342.403 0.582 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(N)=O)cc1)CO2 ZINC001054006129 767575509 /nfs/dbraw/zinc/57/55/09/767575509.db2.gz SVRUWAXHMCGJAT-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ncccc3C#N)C2)C1 ZINC001046753419 767590350 /nfs/dbraw/zinc/59/03/50/767590350.db2.gz VNWZCJKWYZZZKZ-QEJZJMRPSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ncccc3C#N)C2)C1 ZINC001046753419 767590357 /nfs/dbraw/zinc/59/03/57/767590357.db2.gz VNWZCJKWYZZZKZ-QEJZJMRPSA-N 1 1 329.404 0.591 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C1CC1)N1CCOCC1)CO2 ZINC001054013134 767597561 /nfs/dbraw/zinc/59/75/61/767597561.db2.gz OUQUYJLXJLSQNQ-IRXDYDNUSA-N 1 1 349.475 0.633 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccnc1C(N)=O)CO2 ZINC001054013855 767598666 /nfs/dbraw/zinc/59/86/66/767598666.db2.gz CPNNZGZJKWXFPK-CYBMUJFWSA-N 1 1 344.415 0.720 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)CO2 ZINC001054014964 767602114 /nfs/dbraw/zinc/60/21/14/767602114.db2.gz WKQDCQXRKSQZOH-KBPBESRZSA-N 1 1 343.855 0.419 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)CO2 ZINC001054014964 767602118 /nfs/dbraw/zinc/60/21/18/767602118.db2.gz WKQDCQXRKSQZOH-KBPBESRZSA-N 1 1 343.855 0.419 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nnc(C)n3C1)CO2 ZINC001054015229 767603022 /nfs/dbraw/zinc/60/30/22/767603022.db2.gz DHCNBBIQFSYEJO-HUUCEWRRSA-N 1 1 345.447 0.685 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017125799 767628315 /nfs/dbraw/zinc/62/83/15/767628315.db2.gz FSGFCWULOXHYIR-ZFWWWQNUSA-N 1 1 330.436 0.855 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017125799 767628321 /nfs/dbraw/zinc/62/83/21/767628321.db2.gz FSGFCWULOXHYIR-ZFWWWQNUSA-N 1 1 330.436 0.855 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001054053034 767652271 /nfs/dbraw/zinc/65/22/71/767652271.db2.gz KPBVDCFORJPCQS-ZACQAIPSSA-N 1 1 325.412 0.674 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001054053034 767652277 /nfs/dbraw/zinc/65/22/77/767652277.db2.gz KPBVDCFORJPCQS-ZACQAIPSSA-N 1 1 325.412 0.674 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001054058977 767655627 /nfs/dbraw/zinc/65/56/27/767655627.db2.gz CIDJEXSWEDBLBP-RBUKOAKNSA-N 1 1 341.455 0.883 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001054058977 767655631 /nfs/dbraw/zinc/65/56/31/767655631.db2.gz CIDJEXSWEDBLBP-RBUKOAKNSA-N 1 1 341.455 0.883 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](CCS(C)(=O)=O)C2)C1 ZINC001054102926 767692551 /nfs/dbraw/zinc/69/25/51/767692551.db2.gz VMHZONMSSDBZEU-HIFRSBDPSA-N 1 1 327.450 0.505 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](CCS(C)(=O)=O)C2)C1 ZINC001054102926 767692555 /nfs/dbraw/zinc/69/25/55/767692555.db2.gz VMHZONMSSDBZEU-HIFRSBDPSA-N 1 1 327.450 0.505 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)nc1 ZINC001054229234 767838077 /nfs/dbraw/zinc/83/80/77/767838077.db2.gz NRIQSZMBNOOVJS-GOSISDBHSA-N 1 1 326.400 0.476 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+](CC(=O)NC)C3)C2)cn1 ZINC001054230406 767840824 /nfs/dbraw/zinc/84/08/24/767840824.db2.gz SJXRZZFKZCAWFN-LJQANCHMSA-N 1 1 340.427 0.737 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccnc(C#N)n2)C1 ZINC001106540104 768420364 /nfs/dbraw/zinc/42/03/64/768420364.db2.gz WQMOJTGZWALHBD-UONOGXRCSA-N 1 1 346.435 0.186 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccnc(C#N)n2)C1 ZINC001106540104 768420370 /nfs/dbraw/zinc/42/03/70/768420370.db2.gz WQMOJTGZWALHBD-UONOGXRCSA-N 1 1 346.435 0.186 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21)C1CC1 ZINC001042045418 782664179 /nfs/dbraw/zinc/66/41/79/782664179.db2.gz XYGIXACOOQLVCW-NVXWUHKLSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001017851947 768468753 /nfs/dbraw/zinc/46/87/53/768468753.db2.gz KRWPIYFQILTEEK-KFWWJZLASA-N 1 1 327.432 0.619 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2C1 ZINC001055182691 768638630 /nfs/dbraw/zinc/63/86/30/768638630.db2.gz CZPVZULEEPGEPB-OKILXGFUSA-N 1 1 338.477 0.502 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@@H]2C1 ZINC001055237779 768693858 /nfs/dbraw/zinc/69/38/58/768693858.db2.gz NALCEKDLVIPTGX-TWMKSMIVSA-N 1 1 347.459 0.733 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001055251810 768711626 /nfs/dbraw/zinc/71/16/26/768711626.db2.gz KOPRHARBMBMCNX-FSZRXZPDSA-N 1 1 335.448 0.325 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001055251745 768711783 /nfs/dbraw/zinc/71/17/83/768711783.db2.gz JEUVXDPFVYBNPS-GASCZTMLSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCOCCOC)C2)nn1 ZINC001098790562 768770819 /nfs/dbraw/zinc/77/08/19/768770819.db2.gz VPILEVKDZLMKMP-OAHLLOKOSA-N 1 1 337.424 0.380 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001018142539 768792528 /nfs/dbraw/zinc/79/25/28/768792528.db2.gz OQIJHRDBKOSVJD-BETUJISGSA-N 1 1 332.404 0.015 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055338384 768795236 /nfs/dbraw/zinc/79/52/36/768795236.db2.gz RYMAFTRAWXGBSB-VQHPVUNQSA-N 1 1 347.459 0.283 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001106750212 768855509 /nfs/dbraw/zinc/85/55/09/768855509.db2.gz STLKLFWQHNEGAI-RBSFLKMASA-N 1 1 347.463 0.575 20 30 ECEDMO CC(=O)CCCC(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055515965 768987740 /nfs/dbraw/zinc/98/77/40/768987740.db2.gz PEQCMECEHSYYKW-UHFFFAOYSA-N 1 1 347.459 0.856 20 30 ECEDMO CC(C)C#CC(=O)NCCN1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055573487 769154071 /nfs/dbraw/zinc/15/40/71/769154071.db2.gz YFYIJJPYAVQKIZ-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO Cc1nonc1C(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055575598 769163833 /nfs/dbraw/zinc/16/38/33/769163833.db2.gz ZEKJVCKFHLTKKC-UHFFFAOYSA-N 1 1 345.403 0.102 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2ccsn2)CC1 ZINC001055593086 769204249 /nfs/dbraw/zinc/20/42/49/769204249.db2.gz DMQTVRYJNXHQQP-NSHDSACASA-N 1 1 335.433 0.613 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000993518610 769215801 /nfs/dbraw/zinc/21/58/01/769215801.db2.gz HZIMXGFHHCKAKL-DGCLKSJQSA-N 1 1 339.417 0.533 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnon3)C2)CC1 ZINC001018370767 769226399 /nfs/dbraw/zinc/22/63/99/769226399.db2.gz ALTFTHWMARSZKM-AWEZNQCLSA-N 1 1 345.403 0.089 20 30 ECEDMO Cc1ncoc1C(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055629665 769296586 /nfs/dbraw/zinc/29/65/86/769296586.db2.gz GWOHXLBQLXBUJT-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000993583927 769299252 /nfs/dbraw/zinc/29/92/52/769299252.db2.gz YSGRSKSONMGZIU-GJZGRUSLSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@@H]1C ZINC000993585115 769301021 /nfs/dbraw/zinc/30/10/21/769301021.db2.gz KYLDQERGXHTDLI-BBRMVZONSA-N 1 1 329.400 0.767 20 30 ECEDMO CC[N@H+](C)CCC(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055632372 769306731 /nfs/dbraw/zinc/30/67/31/769306731.db2.gz TUDYKKJVPPQLIF-AWEZNQCLSA-N 1 1 337.468 0.185 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055632372 769306743 /nfs/dbraw/zinc/30/67/43/769306743.db2.gz TUDYKKJVPPQLIF-AWEZNQCLSA-N 1 1 337.468 0.185 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@@H]1C ZINC000993557992 769313938 /nfs/dbraw/zinc/31/39/38/769313938.db2.gz VRHRTMCELZMFJB-HOCLYGCPSA-N 1 1 331.416 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000993567680 769329329 /nfs/dbraw/zinc/32/93/29/769329329.db2.gz NAWWRMUTCODLQQ-MNOVXSKESA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000993567680 769329339 /nfs/dbraw/zinc/32/93/39/769329339.db2.gz NAWWRMUTCODLQQ-MNOVXSKESA-N 1 1 325.390 0.143 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2ccnnc2)CC1 ZINC001055653884 769350101 /nfs/dbraw/zinc/35/01/01/769350101.db2.gz QUXXHLVWBSBPQR-UHFFFAOYSA-N 1 1 341.415 0.200 20 30 ECEDMO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C(N)=O)[C@H]2C)cc1C#N ZINC000993744900 769549866 /nfs/dbraw/zinc/54/98/66/769549866.db2.gz LHQLUQNDXGOMCQ-RISCZKNCSA-N 1 1 330.388 0.521 20 30 ECEDMO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)C(N)=O)[C@H]2C)cc1C#N ZINC000993744900 769549875 /nfs/dbraw/zinc/54/98/75/769549875.db2.gz LHQLUQNDXGOMCQ-RISCZKNCSA-N 1 1 330.388 0.521 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)C(C)C)C1 ZINC001055778076 769683118 /nfs/dbraw/zinc/68/31/18/769683118.db2.gz UZCUILWPWBTEDO-MAUKXSAKSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)C(C)C)C1 ZINC001055778076 769683123 /nfs/dbraw/zinc/68/31/23/769683123.db2.gz UZCUILWPWBTEDO-MAUKXSAKSA-N 1 1 335.448 0.210 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000993828079 769688277 /nfs/dbraw/zinc/68/82/77/769688277.db2.gz ABNQPJIJVVRSFM-XPKDYRNWSA-N 1 1 343.431 0.805 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)[nH]1 ZINC001078358908 782769987 /nfs/dbraw/zinc/76/99/87/782769987.db2.gz YMCLHHCVFNMZOT-STQMWFEESA-N 1 1 334.424 0.795 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001078361271 782773995 /nfs/dbraw/zinc/77/39/95/782773995.db2.gz AEELRAZCJQGEIM-OAHLLOKOSA-N 1 1 348.378 0.280 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CCC(Nc3ccnc(C#N)n3)CC2)C1 ZINC001060624307 769808041 /nfs/dbraw/zinc/80/80/41/769808041.db2.gz YAWLRCGEBNABOE-NFOMZHRRSA-N 1 1 342.447 0.951 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000993928329 769835799 /nfs/dbraw/zinc/83/57/99/769835799.db2.gz DWXHAMQZEMRWHW-ZDUSSCGKSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055826083 769868918 /nfs/dbraw/zinc/86/89/18/769868918.db2.gz WPHBUSLNWJSSKN-IIDMSEBBSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000993916950 769878736 /nfs/dbraw/zinc/87/87/36/769878736.db2.gz UWOKJVSUWJAISQ-XPKDYRNWSA-N 1 1 343.431 0.805 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@]1(CO)CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001055836742 769916412 /nfs/dbraw/zinc/91/64/12/769916412.db2.gz FBXRAJSUTXHEFB-HNAYVOBHSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055837166 769917942 /nfs/dbraw/zinc/91/79/42/769917942.db2.gz KTWIWPOJSRUTKW-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@H]1C ZINC000994092846 770124514 /nfs/dbraw/zinc/12/45/14/770124514.db2.gz NGJXHGXTUPYZKS-OCCSQVGLSA-N 1 1 332.404 0.731 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H]1C ZINC000994095984 770129644 /nfs/dbraw/zinc/12/96/44/770129644.db2.gz UCLKZHCWLUPWCW-JKSUJKDBSA-N 1 1 330.432 0.853 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001018879864 770175517 /nfs/dbraw/zinc/17/55/17/770175517.db2.gz KVMSZQWSFKYARH-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001055923514 770233170 /nfs/dbraw/zinc/23/31/70/770233170.db2.gz GWIDFUFYSWHPCN-HNNXBMFYSA-N 1 1 342.447 0.975 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001055923518 770233559 /nfs/dbraw/zinc/23/35/59/770233559.db2.gz GWIDFUFYSWHPCN-OAHLLOKOSA-N 1 1 342.447 0.975 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C ZINC000994176061 770260388 /nfs/dbraw/zinc/26/03/88/770260388.db2.gz JJZTYLXRYGREFO-HUUCEWRRSA-N 1 1 347.463 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C ZINC000994193160 770282535 /nfs/dbraw/zinc/28/25/35/770282535.db2.gz KSIAOHUNLXLRLU-WCXIOVBPSA-N 1 1 349.475 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C ZINC000994193160 770282545 /nfs/dbraw/zinc/28/25/45/770282545.db2.gz KSIAOHUNLXLRLU-WCXIOVBPSA-N 1 1 349.475 0.312 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)[C@@H]1C ZINC000994239098 770376904 /nfs/dbraw/zinc/37/69/04/770376904.db2.gz JWSJTYDLAOXGRI-XHDPSFHLSA-N 1 1 325.368 0.786 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)[C@@H]1C ZINC000994239098 770376917 /nfs/dbraw/zinc/37/69/17/770376917.db2.gz JWSJTYDLAOXGRI-XHDPSFHLSA-N 1 1 325.368 0.786 20 30 ECEDMO Oc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)c(O)c1 ZINC000916310552 770445146 /nfs/dbraw/zinc/44/51/46/770445146.db2.gz WZFWOBUSERSAIG-UHFFFAOYSA-N 1 1 338.433 0.618 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C ZINC000994368018 770668114 /nfs/dbraw/zinc/66/81/14/770668114.db2.gz VDNZFNUBMZTVCE-ZIAGYGMSSA-N 1 1 336.436 0.816 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056059461 770705936 /nfs/dbraw/zinc/70/59/36/770705936.db2.gz OHQOHQORDYXYQB-LPHOPBHVSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1C ZINC000994408232 770752623 /nfs/dbraw/zinc/75/26/23/770752623.db2.gz DPDJSSVDMYPIJP-GJZGRUSLSA-N 1 1 343.493 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000994418933 770757576 /nfs/dbraw/zinc/75/75/76/770757576.db2.gz UWQMRLAWZRUBTN-HHARLNAUSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000994418933 770757584 /nfs/dbraw/zinc/75/75/84/770757584.db2.gz UWQMRLAWZRUBTN-HHARLNAUSA-N 1 1 331.460 0.951 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001019108746 770807235 /nfs/dbraw/zinc/80/72/35/770807235.db2.gz SPCAOZJLUJIXRJ-KBPBESRZSA-N 1 1 341.415 0.981 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001060693327 770963340 /nfs/dbraw/zinc/96/33/40/770963340.db2.gz YBCKOSZSHFJMNH-JYJNAYRXSA-N 1 1 337.464 0.932 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001019162481 770968239 /nfs/dbraw/zinc/96/82/39/770968239.db2.gz MVCHRQIRARJZQG-LBPRGKRZSA-N 1 1 345.403 0.570 20 30 ECEDMO CCc1nc(C#N)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001056228412 771021272 /nfs/dbraw/zinc/02/12/72/771021272.db2.gz RFIQUUQCDUXBFW-CVGURMSBSA-N 1 1 340.431 0.413 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001056234022 771026611 /nfs/dbraw/zinc/02/66/11/771026611.db2.gz ZBWSZRNFBPCCCK-DLTWYDFYSA-N 1 1 341.415 0.225 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001056234022 771026618 /nfs/dbraw/zinc/02/66/18/771026618.db2.gz ZBWSZRNFBPCCCK-DLTWYDFYSA-N 1 1 341.415 0.225 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](F)CC)C2)C1 ZINC001019287981 771106933 /nfs/dbraw/zinc/10/69/33/771106933.db2.gz JYQPNHOIKUJIDB-CABCVRRESA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](F)CC)C2)C1 ZINC001019287981 771106935 /nfs/dbraw/zinc/10/69/35/771106935.db2.gz JYQPNHOIKUJIDB-CABCVRRESA-N 1 1 335.423 0.893 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1c[nH+]cc1C ZINC001056314242 771111157 /nfs/dbraw/zinc/11/11/57/771111157.db2.gz LIMFGDFOVUCHQF-JKSUJKDBSA-N 1 1 346.431 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC(C)(C)C1 ZINC001089424163 771126168 /nfs/dbraw/zinc/12/61/68/771126168.db2.gz SCEAXHURFDYUFJ-ZIAGYGMSSA-N 1 1 345.447 0.786 20 30 ECEDMO CN(CCOCCNc1cncc(C#N)n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001127443303 771213688 /nfs/dbraw/zinc/21/36/88/771213688.db2.gz LFHAXYZKTWSENK-HNNXBMFYSA-N 1 1 346.435 0.719 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001056409022 771239473 /nfs/dbraw/zinc/23/94/73/771239473.db2.gz PHFQZYTYEACHGL-BRWVUGGUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(n4cnnn4)CCCCC3)C[C@H]21 ZINC001042185800 782907119 /nfs/dbraw/zinc/90/71/19/782907119.db2.gz XRZQSHVZVNTMEU-HZPDHXFCSA-N 1 1 342.447 0.889 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2CCCC)C1 ZINC001019407560 771261085 /nfs/dbraw/zinc/26/10/85/771261085.db2.gz JOBBKGDPMVOPDG-ZNMIVQPWSA-N 1 1 348.451 0.755 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCOCCNc1nccnc1C#N ZINC001127473076 771302570 /nfs/dbraw/zinc/30/25/70/771302570.db2.gz ZKDSQXSJSKVMKZ-ZIAGYGMSSA-N 1 1 346.435 0.433 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(F)nc3)C2)C1=O ZINC001031586597 771345593 /nfs/dbraw/zinc/34/55/93/771345593.db2.gz FSLNSDWTPZHJEX-CQSZACIVSA-N 1 1 332.379 0.669 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nccn3C)C2)nn1 ZINC001019493646 771358271 /nfs/dbraw/zinc/35/82/71/771358271.db2.gz HWBCSHDPDKNLSC-ZDUSSCGKSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)CC(C)(C)C2)nn1 ZINC001089514893 771381804 /nfs/dbraw/zinc/38/18/04/771381804.db2.gz RCSPGARYVNDBDW-CYBMUJFWSA-N 1 1 348.451 0.431 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC(C)(C)C1 ZINC001089514680 771381825 /nfs/dbraw/zinc/38/18/25/771381825.db2.gz OJPISUIITNQPDI-UONOGXRCSA-N 1 1 341.477 0.260 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2cc(C)[nH+]c(C)n2)CCCO1 ZINC001089546123 771445276 /nfs/dbraw/zinc/44/52/76/771445276.db2.gz GJXGELAPQKJIMI-HOCLYGCPSA-N 1 1 346.431 0.843 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001056647846 771465998 /nfs/dbraw/zinc/46/59/98/771465998.db2.gz BIYXYCVXJSVNJR-OCCSQVGLSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001056647846 771465999 /nfs/dbraw/zinc/46/59/99/771465999.db2.gz BIYXYCVXJSVNJR-OCCSQVGLSA-N 1 1 330.392 0.082 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001056666740 771490407 /nfs/dbraw/zinc/49/04/07/771490407.db2.gz AOVNIMLHJOYILH-CQSZACIVSA-N 1 1 344.419 0.392 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001056666690 771490435 /nfs/dbraw/zinc/49/04/35/771490435.db2.gz YFIXBZSTLHQJFO-YESZJQIVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001056667738 771491765 /nfs/dbraw/zinc/49/17/65/771491765.db2.gz RKNBGNVSQQDPHK-YESZJQIVSA-N 1 1 349.475 0.816 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561280 771494604 /nfs/dbraw/zinc/49/46/04/771494604.db2.gz OFWLBWFEYNYPNK-KBPBESRZSA-N 1 1 343.493 0.861 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089569083 771530179 /nfs/dbraw/zinc/53/01/79/771530179.db2.gz BHIUTUYFSZOPPU-ZIAGYGMSSA-N 1 1 333.432 0.669 20 30 ECEDMO CC(=O)N1CC(C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001031630371 771539266 /nfs/dbraw/zinc/53/92/66/771539266.db2.gz GGJKFXQDBCBVFL-UHFFFAOYSA-N 1 1 326.400 0.585 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)c3cnnn3C)C2)cc1C#N ZINC001031643458 771581419 /nfs/dbraw/zinc/58/14/19/771581419.db2.gz SLOHGTUHZULHKG-UHFFFAOYSA-N 1 1 340.387 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCC)CCCO1 ZINC001019611373 771592873 /nfs/dbraw/zinc/59/28/73/771592873.db2.gz HIRKIRBITRWPRZ-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCC)CCCO1 ZINC001019611373 771592877 /nfs/dbraw/zinc/59/28/77/771592877.db2.gz HIRKIRBITRWPRZ-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)C)CCCO1 ZINC001019611860 771593529 /nfs/dbraw/zinc/59/35/29/771593529.db2.gz RKYTVWUWAZYSFX-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)C)CCCO1 ZINC001019611860 771593535 /nfs/dbraw/zinc/59/35/35/771593535.db2.gz RKYTVWUWAZYSFX-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001056761086 771602773 /nfs/dbraw/zinc/60/27/73/771602773.db2.gz ZABUCBJSIJJKKA-CABCVRRESA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001056761086 771602775 /nfs/dbraw/zinc/60/27/75/771602775.db2.gz ZABUCBJSIJJKKA-CABCVRRESA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001056762091 771603358 /nfs/dbraw/zinc/60/33/58/771603358.db2.gz UODXQBSEHYMLHK-MELADBBJSA-N 1 1 328.420 0.513 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001019630712 771632467 /nfs/dbraw/zinc/63/24/67/771632467.db2.gz IOEWGYXIJYBGJC-ZDUSSCGKSA-N 1 1 342.403 0.779 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)cc1F ZINC001042210470 782942982 /nfs/dbraw/zinc/94/29/82/782942982.db2.gz JPXUSLPYWWTSOT-WFASDCNBSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)cc1F ZINC001042210470 782942987 /nfs/dbraw/zinc/94/29/87/782942987.db2.gz JPXUSLPYWWTSOT-WFASDCNBSA-N 1 1 330.363 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc(OCC)ncn2)C1 ZINC001056811148 771673930 /nfs/dbraw/zinc/67/39/30/771673930.db2.gz KSTKTBLYFOOJKP-CABCVRRESA-N 1 1 343.431 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc(OCC)ncn2)C1 ZINC001056811148 771673932 /nfs/dbraw/zinc/67/39/32/771673932.db2.gz KSTKTBLYFOOJKP-CABCVRRESA-N 1 1 343.431 0.986 20 30 ECEDMO CN(c1ccc(C#N)nc1)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001056879999 771757396 /nfs/dbraw/zinc/75/73/96/771757396.db2.gz RPRRLMONBJWTBL-JKSUJKDBSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ccc(C#N)nc1)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001056879999 771757400 /nfs/dbraw/zinc/75/74/00/771757400.db2.gz RPRRLMONBJWTBL-JKSUJKDBSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(C[C@H]1CCCCN1C(=O)C#CC1CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001019757925 771765995 /nfs/dbraw/zinc/76/59/95/771765995.db2.gz RHMGDJKVHDLWQH-IAGOWNOFSA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C[C@H]1CCCCN1C(=O)C#CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001019757925 771765998 /nfs/dbraw/zinc/76/59/98/771765998.db2.gz RHMGDJKVHDLWQH-IAGOWNOFSA-N 1 1 347.459 0.570 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3ccncc3C#N)C2)C1 ZINC001056930191 771821687 /nfs/dbraw/zinc/82/16/87/771821687.db2.gz DZXJNQBQMLVIOW-DOTOQJQBSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3ccncc3C#N)C2)C1 ZINC001056930191 771821692 /nfs/dbraw/zinc/82/16/92/771821692.db2.gz DZXJNQBQMLVIOW-DOTOQJQBSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@H]21 ZINC001042241709 782973948 /nfs/dbraw/zinc/97/39/48/782973948.db2.gz CHEKVGMMGWFLKL-GOEBONIOSA-N 1 1 342.443 0.911 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]21 ZINC001042241711 782973960 /nfs/dbraw/zinc/97/39/60/782973960.db2.gz CHEKVGMMGWFLKL-ZBFHGGJFSA-N 1 1 342.443 0.911 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 ZINC001057060557 772014876 /nfs/dbraw/zinc/01/48/76/772014876.db2.gz MBTAOSAZQUBWQJ-HOTGVXAUSA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 ZINC001057060557 772014885 /nfs/dbraw/zinc/01/48/85/772014885.db2.gz MBTAOSAZQUBWQJ-HOTGVXAUSA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C=C(/C)C1CC1 ZINC001057102481 772085584 /nfs/dbraw/zinc/08/55/84/772085584.db2.gz GNKOGFGESSJRGI-XUZQSEFNSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C=C(/C)C1CC1 ZINC001057102481 772085589 /nfs/dbraw/zinc/08/55/89/772085589.db2.gz GNKOGFGESSJRGI-XUZQSEFNSA-N 1 1 347.459 0.377 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)c3[nH]nc(C)c3C)C2)C1=O ZINC001020037208 772098542 /nfs/dbraw/zinc/09/85/42/772098542.db2.gz KUIXHSVKOKQOPS-MGPQQGTHSA-N 1 1 331.420 0.664 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc4c3COCC4)C2)c[nH]1 ZINC001020091307 772148651 /nfs/dbraw/zinc/14/86/51/772148651.db2.gz OABAAXDNPWDMFO-HAQNSBGRSA-N 1 1 341.371 0.998 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057146737 772165373 /nfs/dbraw/zinc/16/53/73/772165373.db2.gz LUZPKOZAJFTHJR-QGZVFWFLSA-N 1 1 343.431 0.713 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057146737 772165376 /nfs/dbraw/zinc/16/53/76/772165376.db2.gz LUZPKOZAJFTHJR-QGZVFWFLSA-N 1 1 343.431 0.713 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)c1 ZINC001020127102 772191712 /nfs/dbraw/zinc/19/17/12/772191712.db2.gz ULXZHHYWEOJHKN-RRQGHBQHSA-N 1 1 340.427 0.876 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001057175000 772216321 /nfs/dbraw/zinc/21/63/21/772216321.db2.gz QOGIJOGOLLWAAB-GJZGRUSLSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001057174943 772216420 /nfs/dbraw/zinc/21/64/20/772216420.db2.gz ODWDONXZKFLPEM-HOTGVXAUSA-N 1 1 337.464 0.907 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001020200539 772275168 /nfs/dbraw/zinc/27/51/68/772275168.db2.gz DXKLNKBXOLINMB-TUKIKUTGSA-N 1 1 329.404 0.700 20 30 ECEDMO C=CCOCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057208903 772278336 /nfs/dbraw/zinc/27/83/36/772278336.db2.gz DEPRGJYSUCIQJE-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CCn1cccc1C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057214310 772291662 /nfs/dbraw/zinc/29/16/62/772291662.db2.gz XWFANGVXPIMZOV-INIZCTEOSA-N 1 1 348.447 0.319 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057234442 772318527 /nfs/dbraw/zinc/31/85/27/772318527.db2.gz CHJMAKAKLKYGGO-ZFWWWQNUSA-N 1 1 328.420 0.585 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCCN(c3ccnc(C#N)n3)CC2)CC[N@H+]1C ZINC001057248657 772339321 /nfs/dbraw/zinc/33/93/21/772339321.db2.gz ZVDWYXHHWGTDNT-ZIAGYGMSSA-N 1 1 328.420 0.727 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3(n4cnnn4)CCOCC3)C[C@H]21 ZINC001042265773 783006764 /nfs/dbraw/zinc/00/67/64/783006764.db2.gz JDECDZOGDXQTQH-LSDHHAIUSA-N 1 1 346.435 0.288 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)CC[N@H+]1C ZINC001020299498 772415307 /nfs/dbraw/zinc/41/53/07/772415307.db2.gz QISZLOZLCYFBSO-KOZAUXTDSA-N 1 1 343.431 0.946 20 30 ECEDMO C#CCN1CC[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]21 ZINC001042268220 783011409 /nfs/dbraw/zinc/01/14/09/783011409.db2.gz ZQUQXGBURFFVRY-NVXWUHKLSA-N 1 1 329.448 0.614 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001078474010 783021343 /nfs/dbraw/zinc/02/13/43/783021343.db2.gz QXZFSTWIPVEGKE-KFWWJZLASA-N 1 1 349.435 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C=C(/C)CC ZINC001057514971 772706497 /nfs/dbraw/zinc/70/64/97/772706497.db2.gz UTJFTRLOXUHJHN-FCFCDCELSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C=C(/C)CC ZINC001057514971 772706501 /nfs/dbraw/zinc/70/65/01/772706501.db2.gz UTJFTRLOXUHJHN-FCFCDCELSA-N 1 1 335.448 0.377 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057525446 772718451 /nfs/dbraw/zinc/71/84/51/772718451.db2.gz TZZMEYWFQOUZSH-IAGOWNOFSA-N 1 1 349.475 0.600 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057538262 772733720 /nfs/dbraw/zinc/73/37/20/772733720.db2.gz ZELXMXHMOJJTPY-SJORKVTESA-N 1 1 347.459 0.354 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001057602999 772801980 /nfs/dbraw/zinc/80/19/80/772801980.db2.gz ZVITWUSFHYBDPQ-CVEARBPZSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001057602999 772801984 /nfs/dbraw/zinc/80/19/84/772801984.db2.gz ZVITWUSFHYBDPQ-CVEARBPZSA-N 1 1 329.404 0.687 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057643793 772855419 /nfs/dbraw/zinc/85/54/19/772855419.db2.gz LLBLQRAPRDDMDU-UHFFFAOYSA-N 1 1 336.436 0.731 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](Nc3ccncc3C#N)C2)O1 ZINC001057774197 772974823 /nfs/dbraw/zinc/97/48/23/772974823.db2.gz GIWLJOKVFSVQEZ-UKPHBRMFSA-N 1 1 343.431 0.497 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](Nc3ccncc3C#N)C2)O1 ZINC001057774197 772974827 /nfs/dbraw/zinc/97/48/27/772974827.db2.gz GIWLJOKVFSVQEZ-UKPHBRMFSA-N 1 1 343.431 0.497 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](Nc3cncc(C#N)n3)C2)O1 ZINC001057774295 772975035 /nfs/dbraw/zinc/97/50/35/772975035.db2.gz ITXSTDXURFOLJM-VNHYZAJKSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](Nc3cncc(C#N)n3)C2)O1 ZINC001057774295 772975039 /nfs/dbraw/zinc/97/50/39/772975039.db2.gz ITXSTDXURFOLJM-VNHYZAJKSA-N 1 1 344.419 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001057773928 772975069 /nfs/dbraw/zinc/97/50/69/772975069.db2.gz ZJCJRCXWOHFZEV-CVEARBPZSA-N 1 1 338.415 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001057773928 772975073 /nfs/dbraw/zinc/97/50/73/772975073.db2.gz ZJCJRCXWOHFZEV-CVEARBPZSA-N 1 1 338.415 0.849 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057864460 773092851 /nfs/dbraw/zinc/09/28/51/773092851.db2.gz TWYJDTADEBUGJU-HUUCEWRRSA-N 1 1 327.469 0.722 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001057877012 773117040 /nfs/dbraw/zinc/11/70/40/773117040.db2.gz WQCYCBGOHPKTCI-HNNXBMFYSA-N 1 1 346.431 0.501 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001057945848 773245954 /nfs/dbraw/zinc/24/59/54/773245954.db2.gz JNRIMPXUGJWWOG-GXTWGEPZSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057946086 773247110 /nfs/dbraw/zinc/24/71/10/773247110.db2.gz QMZRKXZRGJTZLM-ZDUSSCGKSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058039249 773405263 /nfs/dbraw/zinc/40/52/63/773405263.db2.gz UMJWILNIPLRVIE-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058043229 773415793 /nfs/dbraw/zinc/41/57/93/773415793.db2.gz CJBDENBALSPBAT-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058043229 773415798 /nfs/dbraw/zinc/41/57/98/773415798.db2.gz CJBDENBALSPBAT-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO Cc1nc(N2CCC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001058134996 773605711 /nfs/dbraw/zinc/60/57/11/773605711.db2.gz UDMPRKMBBGQECD-HOTGVXAUSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1nc(N2CCC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001058134996 773605712 /nfs/dbraw/zinc/60/57/12/773605712.db2.gz UDMPRKMBBGQECD-HOTGVXAUSA-N 1 1 343.431 0.677 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058176718 773706817 /nfs/dbraw/zinc/70/68/17/773706817.db2.gz FKUSWMGNOYTQDC-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058240860 773829128 /nfs/dbraw/zinc/82/91/28/773829128.db2.gz BWQVQUPTDXEVNW-HIFRSBDPSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(C)ncn2)C1 ZINC001058263830 773875094 /nfs/dbraw/zinc/87/50/94/773875094.db2.gz BCWAXBVMSAKILJ-HOTGVXAUSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(C)ncn2)C1 ZINC001058263830 773875096 /nfs/dbraw/zinc/87/50/96/773875096.db2.gz BCWAXBVMSAKILJ-HOTGVXAUSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(F)cn2)C1 ZINC001058263946 773875272 /nfs/dbraw/zinc/87/52/72/773875272.db2.gz FVDQPHCUMBZTFT-KGLIPLIRSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(F)cn2)C1 ZINC001058263946 773875275 /nfs/dbraw/zinc/87/52/75/773875275.db2.gz FVDQPHCUMBZTFT-KGLIPLIRSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001058266034 773879595 /nfs/dbraw/zinc/87/95/95/773879595.db2.gz AHOTXTMPARYQSA-SFHVURJKSA-N 1 1 335.448 0.213 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058376903 774061997 /nfs/dbraw/zinc/06/19/97/774061997.db2.gz YZJBKDPNSVDKIL-HIFRSBDPSA-N 1 1 347.394 0.508 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058376903 774062006 /nfs/dbraw/zinc/06/20/06/774062006.db2.gz YZJBKDPNSVDKIL-HIFRSBDPSA-N 1 1 347.394 0.508 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)C1 ZINC001040636311 783147834 /nfs/dbraw/zinc/14/78/34/783147834.db2.gz GZEMJCSKVALLCQ-MELADBBJSA-N 1 1 326.404 0.337 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040636290 783148133 /nfs/dbraw/zinc/14/81/33/783148133.db2.gz QIBADPRJYFFWOC-KBXCAEBGSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001039819777 783149495 /nfs/dbraw/zinc/14/94/95/783149495.db2.gz WGUQBQZSCKRTBL-SFHVURJKSA-N 1 1 348.447 0.873 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001058403855 774115597 /nfs/dbraw/zinc/11/55/97/774115597.db2.gz ZURPDGYBDNBXHE-KGLIPLIRSA-N 1 1 328.420 0.693 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001058438004 774179341 /nfs/dbraw/zinc/17/93/41/774179341.db2.gz NPMWQXURUYGQTH-GJZGRUSLSA-N 1 1 327.469 0.722 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058442664 774189593 /nfs/dbraw/zinc/18/95/93/774189593.db2.gz MMQUTJUVMZIKBB-INIZCTEOSA-N 1 1 337.464 0.459 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001058467000 774240757 /nfs/dbraw/zinc/24/07/57/774240757.db2.gz ZMMUUTUBIBANMB-AWEZNQCLSA-N 1 1 336.436 0.731 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058468797 774244970 /nfs/dbraw/zinc/24/49/70/774244970.db2.gz RHJUIZZSLFEKOP-HOTGVXAUSA-N 1 1 339.480 0.868 20 30 ECEDMO N#Cc1cncc(N2CC[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001058470075 774245962 /nfs/dbraw/zinc/24/59/62/774245962.db2.gz YSXSYTFSKZYKSU-OCCSQVGLSA-N 1 1 337.387 0.817 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001058492438 774296510 /nfs/dbraw/zinc/29/65/10/774296510.db2.gz WBJNITPLQIGUBK-ZDUSSCGKSA-N 1 1 339.403 0.811 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001058525175 774362404 /nfs/dbraw/zinc/36/24/04/774362404.db2.gz IQVYMFKGZSVFAN-MELADBBJSA-N 1 1 328.420 0.773 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)O1 ZINC001058587651 774484597 /nfs/dbraw/zinc/48/45/97/774484597.db2.gz GYRRPYTZXANZGR-XNRPHZJLSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)O1 ZINC001058587651 774484600 /nfs/dbraw/zinc/48/46/00/774484600.db2.gz GYRRPYTZXANZGR-XNRPHZJLSA-N 1 1 329.404 0.367 20 30 ECEDMO Cc1nsc(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1C#N ZINC001058588344 774487160 /nfs/dbraw/zinc/48/71/60/774487160.db2.gz XQPVXVHVCNYQIG-MPKXVKKWSA-N 1 1 349.460 0.737 20 30 ECEDMO Cc1nsc(N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1C#N ZINC001058588344 774487163 /nfs/dbraw/zinc/48/71/63/774487163.db2.gz XQPVXVHVCNYQIG-MPKXVKKWSA-N 1 1 349.460 0.737 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CCN(c1cnc(C#N)cn1)CC2 ZINC001058627495 774566802 /nfs/dbraw/zinc/56/68/02/774566802.db2.gz TWSKHBOMNHSBGI-LSDHHAIUSA-N 1 1 340.431 0.918 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)c2cnc(C)[nH]2)C1=O ZINC001044963267 774772360 /nfs/dbraw/zinc/77/23/60/774772360.db2.gz ZOJSYEWYHJGZMR-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cn(C)nn2)nn1 ZINC001045235624 775194770 /nfs/dbraw/zinc/19/47/70/775194770.db2.gz SCMNULCSJVLDDL-AWEZNQCLSA-N 1 1 344.423 0.377 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(C)(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001045390659 775526076 /nfs/dbraw/zinc/52/60/76/775526076.db2.gz TVWOXDDWCXVETF-HOTGVXAUSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(C)(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001045390659 775526078 /nfs/dbraw/zinc/52/60/78/775526078.db2.gz TVWOXDDWCXVETF-HOTGVXAUSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001045455532 775633639 /nfs/dbraw/zinc/63/36/39/775633639.db2.gz XQXWZCVZHFXWNX-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO Cn1nnc(C(=O)NC2(C)CC[NH+](Cc3ccc(C#N)s3)CC2)n1 ZINC001045522579 775728309 /nfs/dbraw/zinc/72/83/09/775728309.db2.gz MKMIEFXMYJZHIW-UHFFFAOYSA-N 1 1 345.432 0.928 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O ZINC001044318244 776137716 /nfs/dbraw/zinc/13/77/16/776137716.db2.gz KBRYIKCSXSHBDH-ZBFHGGJFSA-N 1 1 340.387 0.133 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070045479 790438306 /nfs/dbraw/zinc/43/83/06/790438306.db2.gz CHTSHYBPFPPMOE-KGLIPLIRSA-N 1 1 347.810 0.193 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O ZINC001044537976 776407971 /nfs/dbraw/zinc/40/79/71/776407971.db2.gz FWZJNJBCWRMZRG-YUELXQCFSA-N 1 1 329.404 0.103 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cccnn32)[C@@H](n2ccnn2)C1 ZINC001070047928 790445918 /nfs/dbraw/zinc/44/59/18/790445918.db2.gz PQWNDQKYHBTNQM-ZBFHGGJFSA-N 1 1 337.387 0.767 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3cccnn32)[C@@H](n2ccnn2)C1 ZINC001070047928 790445925 /nfs/dbraw/zinc/44/59/25/790445925.db2.gz PQWNDQKYHBTNQM-ZBFHGGJFSA-N 1 1 337.387 0.767 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001070050456 790452766 /nfs/dbraw/zinc/45/27/66/790452766.db2.gz AWNCVJXKDTWTON-FZKCQIBNSA-N 1 1 349.435 0.247 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001070050456 790452774 /nfs/dbraw/zinc/45/27/74/790452774.db2.gz AWNCVJXKDTWTON-FZKCQIBNSA-N 1 1 349.435 0.247 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642492 776588224 /nfs/dbraw/zinc/58/82/24/776588224.db2.gz CLJDEPLJJKQNGP-DFBGVHRSSA-N 1 1 328.372 0.603 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001079660880 776637774 /nfs/dbraw/zinc/63/77/74/776637774.db2.gz HAVQVWSEUQMJNJ-ZWNOBZJWSA-N 1 1 330.417 0.999 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001079660880 776637780 /nfs/dbraw/zinc/63/77/80/776637780.db2.gz HAVQVWSEUQMJNJ-ZWNOBZJWSA-N 1 1 330.417 0.999 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnnn3CC)C2)C1=O ZINC001079665721 776647356 /nfs/dbraw/zinc/64/73/56/776647356.db2.gz ICLZUMHFSUOHQS-MGPQQGTHSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnnn3CC)C2)C1=O ZINC001079665721 776647366 /nfs/dbraw/zinc/64/73/66/776647366.db2.gz ICLZUMHFSUOHQS-MGPQQGTHSA-N 1 1 346.435 0.135 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001079695300 776709170 /nfs/dbraw/zinc/70/91/70/776709170.db2.gz STXGLBYDMSYLSJ-VNHYZAJKSA-N 1 1 329.404 0.222 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](OC)C2CC2)C1 ZINC001079702052 776724681 /nfs/dbraw/zinc/72/46/81/776724681.db2.gz ULSUKSDTFOUCGU-DLBZAZTESA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](OC)C2CC2)C1 ZINC001079702052 776724685 /nfs/dbraw/zinc/72/46/85/776724685.db2.gz ULSUKSDTFOUCGU-DLBZAZTESA-N 1 1 347.459 0.568 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001079741499 776784550 /nfs/dbraw/zinc/78/45/50/776784550.db2.gz JXIBPAPNANPYOS-RDJZCZTQSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)s2)C[C@H]1C ZINC001079878299 777012027 /nfs/dbraw/zinc/01/20/27/777012027.db2.gz QRLXYINDJJVUTR-YUELXQCFSA-N 1 1 347.488 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)s2)C[C@H]1C ZINC001079878299 777012031 /nfs/dbraw/zinc/01/20/31/777012031.db2.gz QRLXYINDJJVUTR-YUELXQCFSA-N 1 1 347.488 0.881 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001079888466 777027303 /nfs/dbraw/zinc/02/73/03/777027303.db2.gz CQJCPGNPMOHDCY-OAGGEKHMSA-N 1 1 327.432 0.905 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001079982253 777189731 /nfs/dbraw/zinc/18/97/31/777189731.db2.gz BXQLRCISEVMQHZ-CQSZACIVSA-N 1 1 334.420 0.842 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001080051272 777305809 /nfs/dbraw/zinc/30/58/09/777305809.db2.gz QPLZYCDYXCSBEA-YJBOKZPZSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001080190632 777525262 /nfs/dbraw/zinc/52/52/62/777525262.db2.gz ZBVNSWVHDZPPPF-HNNXBMFYSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](CCC)OC)C1 ZINC001080210826 777562800 /nfs/dbraw/zinc/56/28/00/777562800.db2.gz UVKICBRXDIXABS-DLBZAZTESA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](CCC)OC)C1 ZINC001080210826 777562802 /nfs/dbraw/zinc/56/28/02/777562802.db2.gz UVKICBRXDIXABS-DLBZAZTESA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001070086678 790557174 /nfs/dbraw/zinc/55/71/74/790557174.db2.gz HEAMKKJLYCIYNY-KFWWJZLASA-N 1 1 346.435 0.207 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1Nc1ncc(C#N)cc1F ZINC001043104627 777735162 /nfs/dbraw/zinc/73/51/62/777735162.db2.gz RAUGDJOCWJNXKS-DFBGVHRSSA-N 1 1 347.394 0.682 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1Nc1ncc(C#N)cc1F ZINC001043104627 777735170 /nfs/dbraw/zinc/73/51/70/777735170.db2.gz RAUGDJOCWJNXKS-DFBGVHRSSA-N 1 1 347.394 0.682 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360935 777748407 /nfs/dbraw/zinc/74/84/07/777748407.db2.gz OAPYEMRNBGLKDP-WKPIXPDZSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360935 777748415 /nfs/dbraw/zinc/74/84/15/777748415.db2.gz OAPYEMRNBGLKDP-WKPIXPDZSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080361209 777750281 /nfs/dbraw/zinc/75/02/81/777750281.db2.gz XCUXJOOWUJMVOZ-VCTAVGKDSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080361209 777750287 /nfs/dbraw/zinc/75/02/87/777750287.db2.gz XCUXJOOWUJMVOZ-VCTAVGKDSA-N 1 1 345.378 0.315 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001080404779 777803355 /nfs/dbraw/zinc/80/33/55/777803355.db2.gz YUTWGJFHCCYVLP-ZIAGYGMSSA-N 1 1 333.432 0.928 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080421802 777831131 /nfs/dbraw/zinc/83/11/31/777831131.db2.gz QPESDTCYXPVKSL-HIFRSBDPSA-N 1 1 336.436 0.315 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043187613 777912345 /nfs/dbraw/zinc/91/23/45/777912345.db2.gz LPXYDYWNWKSXNT-HNNXBMFYSA-N 1 1 335.448 0.396 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043206468 777957709 /nfs/dbraw/zinc/95/77/09/777957709.db2.gz NIWRTYBGBSOTMX-DGCLKSJQSA-N 1 1 325.376 0.234 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3ncccc3C#N)C2)C1 ZINC001043211591 777973137 /nfs/dbraw/zinc/97/31/37/777973137.db2.gz OGHKYVQNTIHBEN-BMFZPTHFSA-N 1 1 343.431 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3ncccc3C#N)C2)C1 ZINC001043211591 777973145 /nfs/dbraw/zinc/97/31/45/777973145.db2.gz OGHKYVQNTIHBEN-BMFZPTHFSA-N 1 1 343.431 0.933 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(N(CC)C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001080534581 777978248 /nfs/dbraw/zinc/97/82/48/777978248.db2.gz FMLYNBFMMZDWQJ-UHFFFAOYSA-N 1 1 348.451 0.479 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001080557632 778023902 /nfs/dbraw/zinc/02/39/02/778023902.db2.gz BLXKHEAPFYAWQH-GOEBONIOSA-N 1 1 337.464 0.836 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@@H](n2ccnn2)C1 ZINC001070097320 790595776 /nfs/dbraw/zinc/59/57/76/790595776.db2.gz MEHBJJAHCLTYNI-CVEARBPZSA-N 1 1 341.419 0.862 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@@H](n2ccnn2)C1 ZINC001070097320 790595786 /nfs/dbraw/zinc/59/57/86/790595786.db2.gz MEHBJJAHCLTYNI-CVEARBPZSA-N 1 1 341.419 0.862 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[C@H](CNC(=O)C#CC1CC1)O2 ZINC001068573782 790609175 /nfs/dbraw/zinc/60/91/75/790609175.db2.gz VPLMSIMHCTUYRP-MRXNPFEDSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001043461671 778371207 /nfs/dbraw/zinc/37/12/07/778371207.db2.gz CUGMIDRVHAWHBS-AWEZNQCLSA-N 1 1 346.431 0.806 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)C[N@@H+](C)C(C)C)CCOCC1 ZINC001070108493 790630296 /nfs/dbraw/zinc/63/02/96/790630296.db2.gz FBTNBVIRJYSXJF-UHFFFAOYSA-N 1 1 337.464 0.768 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)C#CC(C)C)CCOCC1 ZINC001070108970 790632856 /nfs/dbraw/zinc/63/28/56/790632856.db2.gz XQUMETXJOBNCJD-UHFFFAOYSA-N 1 1 337.464 0.769 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001070109470 790634594 /nfs/dbraw/zinc/63/45/94/790634594.db2.gz YHVXYHAVQIRUKR-CVEARBPZSA-N 1 1 343.435 0.805 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001070109470 790634598 /nfs/dbraw/zinc/63/45/98/790634598.db2.gz YHVXYHAVQIRUKR-CVEARBPZSA-N 1 1 343.435 0.805 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070111913 790642088 /nfs/dbraw/zinc/64/20/88/790642088.db2.gz FLVHSNBDBOVVRZ-GOEBONIOSA-N 1 1 347.459 0.379 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(c4ncccc4C#N)C[C@@H]32)C1 ZINC001043728194 778783281 /nfs/dbraw/zinc/78/32/81/778783281.db2.gz VLIUWRHDMPWVBH-HRCADAONSA-N 1 1 341.415 0.321 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043769881 778841411 /nfs/dbraw/zinc/84/14/11/778841411.db2.gz JFIKJPPCJFIUQS-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070115924 790657017 /nfs/dbraw/zinc/65/70/17/790657017.db2.gz DZMIRYBYGFDUJO-OAGGEKHMSA-N 1 1 343.431 0.460 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]21 ZINC001042282617 779980932 /nfs/dbraw/zinc/98/09/32/779980932.db2.gz FDQYSXPPWNTBRJ-DZGCQCFKSA-N 1 1 344.415 0.685 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@H]21 ZINC001042317181 780061824 /nfs/dbraw/zinc/06/18/24/780061824.db2.gz WSTYPFXIZOSOHF-HZPDHXFCSA-N 1 1 328.416 0.498 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 ZINC001042333856 780088402 /nfs/dbraw/zinc/08/84/02/780088402.db2.gz QKMDETQVMCIAEJ-HOTGVXAUSA-N 1 1 347.463 0.779 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 ZINC001042333593 780089153 /nfs/dbraw/zinc/08/91/53/780089153.db2.gz PYFABUFKCWNZOZ-HUUCEWRRSA-N 1 1 333.436 0.389 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@@H]21 ZINC001042344946 780108445 /nfs/dbraw/zinc/10/84/45/780108445.db2.gz FAFWSPOQGMZILA-HOCLYGCPSA-N 1 1 332.448 0.723 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@H]21 ZINC001042351949 780121873 /nfs/dbraw/zinc/12/18/73/780121873.db2.gz VLVPPTHQWNGCMD-UONOGXRCSA-N 1 1 330.388 0.868 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]21 ZINC001042375144 780164383 /nfs/dbraw/zinc/16/43/83/780164383.db2.gz SUSMPUVJBXIZIW-BBRMVZONSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@H]21 ZINC001042376382 780165474 /nfs/dbraw/zinc/16/54/74/780165474.db2.gz REQPANCPNIYOBJ-CZUORRHYSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)COC)CC1 ZINC001078772783 780471246 /nfs/dbraw/zinc/47/12/46/780471246.db2.gz VHHAPYNFWFENGI-CVEARBPZSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)COC)CC1 ZINC001078772783 780471250 /nfs/dbraw/zinc/47/12/50/780471250.db2.gz VHHAPYNFWFENGI-CVEARBPZSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001042663906 780607108 /nfs/dbraw/zinc/60/71/08/780607108.db2.gz IZTBKAYVVVUJHG-HUUCEWRRSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001042663904 780607368 /nfs/dbraw/zinc/60/73/68/780607368.db2.gz IZTBKAYVVVUJHG-GJZGRUSLSA-N 1 1 335.448 0.067 20 30 ECEDMO CO[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001042776115 780795358 /nfs/dbraw/zinc/79/53/58/780795358.db2.gz GBAONHLIQDLRDC-RBSFLKMASA-N 1 1 344.419 0.071 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nnn(C)n2)C1 ZINC001079140575 780806302 /nfs/dbraw/zinc/80/63/02/780806302.db2.gz PPIVIXGOVHTLGH-HUUCEWRRSA-N 1 1 342.403 0.084 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nnn(C)n2)C1 ZINC001079140575 780806308 /nfs/dbraw/zinc/80/63/08/780806308.db2.gz PPIVIXGOVHTLGH-HUUCEWRRSA-N 1 1 342.403 0.084 20 30 ECEDMO CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001042836077 780915696 /nfs/dbraw/zinc/91/56/96/780915696.db2.gz PWNCQOWUYAUNLT-ARFHVFGLSA-N 1 1 343.431 0.533 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21 ZINC001079251180 780923400 /nfs/dbraw/zinc/92/34/00/780923400.db2.gz KFLBBVLUSPEHFD-JKSUJKDBSA-N 1 1 343.431 0.655 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001042930602 781055646 /nfs/dbraw/zinc/05/56/46/781055646.db2.gz SICMUGIBUTVDFL-HUUCEWRRSA-N 1 1 340.387 0.478 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCn2nc(C)nc2C)C1 ZINC001042959985 781101117 /nfs/dbraw/zinc/10/11/17/781101117.db2.gz JKWAWYHERIUCHK-KRWDZBQOSA-N 1 1 344.463 0.135 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCn2nc(C)nc2C)C1 ZINC001042959985 781101120 /nfs/dbraw/zinc/10/11/20/781101120.db2.gz JKWAWYHERIUCHK-KRWDZBQOSA-N 1 1 344.463 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(C3CC3)o2)C1 ZINC001042960313 781102631 /nfs/dbraw/zinc/10/26/31/781102631.db2.gz NKEGZOHXKQJCDF-HNNXBMFYSA-N 1 1 343.431 0.687 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(C3CC3)o2)C1 ZINC001042960313 781102635 /nfs/dbraw/zinc/10/26/35/781102635.db2.gz NKEGZOHXKQJCDF-HNNXBMFYSA-N 1 1 343.431 0.687 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 ZINC001042963274 781106634 /nfs/dbraw/zinc/10/66/34/781106634.db2.gz KUFVPJGAANJBDN-INIZCTEOSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2nnc(C)o2)C1 ZINC001042963967 781107927 /nfs/dbraw/zinc/10/79/27/781107927.db2.gz WUQMBVHRCIXFFI-DOMZBBRYSA-N 1 1 331.420 0.679 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2nnc(C)o2)C1 ZINC001042963967 781107934 /nfs/dbraw/zinc/10/79/34/781107934.db2.gz WUQMBVHRCIXFFI-DOMZBBRYSA-N 1 1 331.420 0.679 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042970571 781118669 /nfs/dbraw/zinc/11/86/69/781118669.db2.gz PTVSYLAIHLKTPM-ZDUSSCGKSA-N 1 1 346.431 0.327 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493541 781181709 /nfs/dbraw/zinc/18/17/09/781181709.db2.gz VFALAZDEEWBJMB-HFBAOOFYSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493541 781181713 /nfs/dbraw/zinc/18/17/13/781181713.db2.gz VFALAZDEEWBJMB-HFBAOOFYSA-N 1 1 344.390 0.912 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001043016251 781185845 /nfs/dbraw/zinc/18/58/45/781185845.db2.gz MBOROGCTZACISC-BZUAXINKSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043043332 781234915 /nfs/dbraw/zinc/23/49/15/781234915.db2.gz IIRMDUKHYYNCTH-OAHLLOKOSA-N 1 1 337.464 0.905 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079598523 781303631 /nfs/dbraw/zinc/30/36/31/781303631.db2.gz GOWCDQUKQLLWNT-OLMNPRSZSA-N 1 1 342.443 0.825 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079599076 781305631 /nfs/dbraw/zinc/30/56/31/781305631.db2.gz YALHOTYZSNIMBL-ZTFGCOKTSA-N 1 1 342.443 0.825 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)c1 ZINC001077648437 781422626 /nfs/dbraw/zinc/42/26/26/781422626.db2.gz KLBCHGOGFDVJHY-DJIMGWMZSA-N 1 1 329.400 0.264 20 30 ECEDMO Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccc1C#N ZINC001041396638 781430054 /nfs/dbraw/zinc/43/00/54/781430054.db2.gz JVGMLNQSTSSXGK-DTZQCDIJSA-N 1 1 343.431 0.268 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)CN3CCOCC3)C2)C1 ZINC001041408111 781449441 /nfs/dbraw/zinc/44/94/41/781449441.db2.gz KJHJHZVYWCOOIK-LJQANCHMSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)CN3CCOCC3)C2)C1 ZINC001041408111 781449445 /nfs/dbraw/zinc/44/94/45/781449445.db2.gz KJHJHZVYWCOOIK-LJQANCHMSA-N 1 1 333.476 0.902 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077694420 781531023 /nfs/dbraw/zinc/53/10/23/781531023.db2.gz QYBINEUMNXASEW-TVFCKZIOSA-N 1 1 341.411 0.811 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077694420 781531030 /nfs/dbraw/zinc/53/10/30/781531030.db2.gz QYBINEUMNXASEW-TVFCKZIOSA-N 1 1 341.411 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnc4sccn4c3=O)C2)C1 ZINC001041449984 781541553 /nfs/dbraw/zinc/54/15/53/781541553.db2.gz BRIRUPZQIQZPMB-QGZVFWFLSA-N 1 1 342.424 0.927 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](CNc2ccc(C#N)nn2)C1 ZINC001041478411 781594552 /nfs/dbraw/zinc/59/45/52/781594552.db2.gz AKNULRWCHPJJGY-LSDHHAIUSA-N 1 1 344.419 0.472 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)cc1 ZINC001077745971 781635491 /nfs/dbraw/zinc/63/54/91/781635491.db2.gz ATKKNUREZUJWGN-HZPDHXFCSA-N 1 1 325.372 0.185 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)cc1 ZINC001077745971 781635493 /nfs/dbraw/zinc/63/54/93/781635493.db2.gz ATKKNUREZUJWGN-HZPDHXFCSA-N 1 1 325.372 0.185 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001077746284 781637113 /nfs/dbraw/zinc/63/71/13/781637113.db2.gz NDZPFYBHQJINBM-GHMZBOCLSA-N 1 1 332.326 0.790 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001077746284 781637120 /nfs/dbraw/zinc/63/71/20/781637120.db2.gz NDZPFYBHQJINBM-GHMZBOCLSA-N 1 1 332.326 0.790 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001041505076 781652057 /nfs/dbraw/zinc/65/20/57/781652057.db2.gz IUKGOOZSHGDQDS-HZPDHXFCSA-N 1 1 343.431 0.934 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C2)C1 ZINC001041512701 781672605 /nfs/dbraw/zinc/67/26/05/781672605.db2.gz OGCJECLDRIAIKC-LZLYRXPVSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCCN2C(C)=O)C1 ZINC001077825043 781764333 /nfs/dbraw/zinc/76/43/33/781764333.db2.gz AKPBQKRUGOXTDL-GVDBMIGSSA-N 1 1 337.464 0.905 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2Br)C1 ZINC001077849948 781815748 /nfs/dbraw/zinc/81/57/48/781815748.db2.gz XAHPDIAIZBUAKI-GHMZBOCLSA-N 1 1 327.178 0.840 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2Br)C1 ZINC001077849948 781815754 /nfs/dbraw/zinc/81/57/54/781815754.db2.gz XAHPDIAIZBUAKI-GHMZBOCLSA-N 1 1 327.178 0.840 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001077877025 781855308 /nfs/dbraw/zinc/85/53/08/781855308.db2.gz UTAOPXKKMJLSJM-BZUAXINKSA-N 1 1 329.400 0.599 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001077904132 781908094 /nfs/dbraw/zinc/90/80/94/781908094.db2.gz KWPRTBICIPAGEQ-HUUCEWRRSA-N 1 1 327.388 0.075 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(c2ccc(C#N)nc2)CCCO1 ZINC001039908029 783256473 /nfs/dbraw/zinc/25/64/73/783256473.db2.gz OQEYDIMXFGWSOX-DLBZAZTESA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)CC)C1 ZINC001040733635 783346250 /nfs/dbraw/zinc/34/62/50/783346250.db2.gz FYJFTAWVPHTDEK-HNAYVOBHSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)CC)C1 ZINC001040733635 783346255 /nfs/dbraw/zinc/34/62/55/783346255.db2.gz FYJFTAWVPHTDEK-HNAYVOBHSA-N 1 1 349.475 0.600 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001040821965 783506540 /nfs/dbraw/zinc/50/65/40/783506540.db2.gz GOALZKXTSXIFGJ-QLFBSQMISA-N 1 1 340.431 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C2(CC)CC2)C1 ZINC001040827396 783518589 /nfs/dbraw/zinc/51/85/89/783518589.db2.gz PSYSASOLGXUWLP-HNAYVOBHSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C2(CC)CC2)C1 ZINC001040827396 783518597 /nfs/dbraw/zinc/51/85/97/783518597.db2.gz PSYSASOLGXUWLP-HNAYVOBHSA-N 1 1 347.459 0.354 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001040096594 783533223 /nfs/dbraw/zinc/53/32/23/783533223.db2.gz QJJAUFKBMBJPES-LPHOPBHVSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070172219 783590789 /nfs/dbraw/zinc/59/07/89/783590789.db2.gz SVPGFVGBRLRBLZ-MCIONIFRSA-N 1 1 339.827 0.799 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1n1ccnn1 ZINC001070190042 783624187 /nfs/dbraw/zinc/62/41/87/783624187.db2.gz LPUGRHYWZFFABO-FRRDWIJNSA-N 1 1 327.816 0.389 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001070303043 783806396 /nfs/dbraw/zinc/80/63/96/783806396.db2.gz NLRFBFCVEKYHLG-NEPJUHHUSA-N 1 1 335.799 0.338 20 30 ECEDMO Cn1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)cc1=O ZINC001038156476 783925182 /nfs/dbraw/zinc/92/51/82/783925182.db2.gz ZVAQIQZGSDFGHM-CQSZACIVSA-N 1 1 325.372 0.589 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)cc1=O ZINC001038156476 783925185 /nfs/dbraw/zinc/92/51/85/783925185.db2.gz ZVAQIQZGSDFGHM-CQSZACIVSA-N 1 1 325.372 0.589 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2=COCCO2)C1 ZINC001070392259 783946681 /nfs/dbraw/zinc/94/66/81/783946681.db2.gz OLAKGIZLLDRLOS-CYBMUJFWSA-N 1 1 330.388 0.727 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001070392158 783947143 /nfs/dbraw/zinc/94/71/43/783947143.db2.gz MABRMRVWQUCYRA-AWEZNQCLSA-N 1 1 327.388 0.948 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001070402938 783974927 /nfs/dbraw/zinc/97/49/27/783974927.db2.gz IEJYKJVKEXXFQU-HIFRSBDPSA-N 1 1 333.436 0.332 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001070403439 783979355 /nfs/dbraw/zinc/97/93/55/783979355.db2.gz STILERJCBLRFES-NEPJUHHUSA-N 1 1 342.403 0.710 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCCO)C2)c1 ZINC001070403638 783980625 /nfs/dbraw/zinc/98/06/25/783980625.db2.gz YGCUOIXLCFBMBM-ZDUSSCGKSA-N 1 1 342.403 0.711 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001070411168 784000857 /nfs/dbraw/zinc/00/08/57/784000857.db2.gz FLYKHKYRDVBSKR-ZIAGYGMSSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCF)C1 ZINC001070412482 784003887 /nfs/dbraw/zinc/00/38/87/784003887.db2.gz AXKGWDWXCPYABT-ZBFHGGJFSA-N 1 1 347.438 0.882 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCF)C1 ZINC001070412482 784003893 /nfs/dbraw/zinc/00/38/93/784003893.db2.gz AXKGWDWXCPYABT-ZBFHGGJFSA-N 1 1 347.438 0.882 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001070413034 784007469 /nfs/dbraw/zinc/00/74/69/784007469.db2.gz RDHIWGFHWDZASC-HIFRSBDPSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001070414989 784016267 /nfs/dbraw/zinc/01/62/67/784016267.db2.gz WKCYBLAYAITXHR-NSHDSACASA-N 1 1 326.360 0.258 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001070419562 784024506 /nfs/dbraw/zinc/02/45/06/784024506.db2.gz BZXXVCHOOAFRQK-AAEUAGOBSA-N 1 1 332.408 0.025 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc3nncn3c2)C1 ZINC001070428319 784045695 /nfs/dbraw/zinc/04/56/95/784045695.db2.gz RWQXCXSCNVMXKV-ZDUSSCGKSA-N 1 1 349.398 0.805 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001070432950 784057877 /nfs/dbraw/zinc/05/78/77/784057877.db2.gz WFCCVLOYAQGUIL-JSGCOSHPSA-N 1 1 331.420 0.670 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1n[nH]cc1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442639 784086884 /nfs/dbraw/zinc/08/68/84/784086884.db2.gz LGRQANSTAPDBAD-CYBMUJFWSA-N 1 1 341.419 0.872 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC001070907770 784094195 /nfs/dbraw/zinc/09/41/95/784094195.db2.gz XYJMIPZNKNOGLB-YUELXQCFSA-N 1 1 344.371 0.417 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC001070907770 784094201 /nfs/dbraw/zinc/09/42/01/784094201.db2.gz XYJMIPZNKNOGLB-YUELXQCFSA-N 1 1 344.371 0.417 20 30 ECEDMO CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001070910536 784099505 /nfs/dbraw/zinc/09/95/05/784099505.db2.gz VQYPAQVVVUTJNZ-YUELXQCFSA-N 1 1 343.387 0.626 20 30 ECEDMO CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001070910536 784099511 /nfs/dbraw/zinc/09/95/11/784099511.db2.gz VQYPAQVVVUTJNZ-YUELXQCFSA-N 1 1 343.387 0.626 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070454873 784121931 /nfs/dbraw/zinc/12/19/31/784121931.db2.gz VEQFLIHTKDLZMA-KGLIPLIRSA-N 1 1 338.477 0.835 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nn2C)CC1 ZINC001070944874 784186005 /nfs/dbraw/zinc/18/60/05/784186005.db2.gz OEIHCCCIOPINAV-UHFFFAOYSA-N 1 1 347.463 0.959 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070502286 784198196 /nfs/dbraw/zinc/19/81/96/784198196.db2.gz HTXBTLFCCXGBGU-SOLBZPMBSA-N 1 1 343.475 0.812 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070502286 784198201 /nfs/dbraw/zinc/19/82/01/784198201.db2.gz HTXBTLFCCXGBGU-SOLBZPMBSA-N 1 1 343.475 0.812 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC001070951789 784207460 /nfs/dbraw/zinc/20/74/60/784207460.db2.gz YLSCPYNDTMOJDY-INIZCTEOSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC001070951789 784207468 /nfs/dbraw/zinc/20/74/68/784207468.db2.gz YLSCPYNDTMOJDY-INIZCTEOSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC001070952958 784209077 /nfs/dbraw/zinc/20/90/77/784209077.db2.gz QPMKMQBQJGDVAV-MRXNPFEDSA-N 1 1 335.448 0.619 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC001070952958 784209080 /nfs/dbraw/zinc/20/90/80/784209080.db2.gz QPMKMQBQJGDVAV-MRXNPFEDSA-N 1 1 335.448 0.619 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)c2ccc(C#N)nn2)CC1 ZINC001068727351 791007139 /nfs/dbraw/zinc/00/71/39/791007139.db2.gz NWVGPURJTRDTNQ-BBRMVZONSA-N 1 1 342.447 0.973 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C)cn2)CC1 ZINC001070955929 784219195 /nfs/dbraw/zinc/21/91/95/784219195.db2.gz CFCSQPZVBUCZIP-UHFFFAOYSA-N 1 1 333.436 0.650 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(=O)NCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC001070962517 784239785 /nfs/dbraw/zinc/23/97/85/784239785.db2.gz UALDDAYCXPSTOR-KRWDZBQOSA-N 1 1 347.459 0.619 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(=O)NCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC001070962517 784239793 /nfs/dbraw/zinc/23/97/93/784239793.db2.gz UALDDAYCXPSTOR-KRWDZBQOSA-N 1 1 347.459 0.619 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001070967988 784258098 /nfs/dbraw/zinc/25/80/98/784258098.db2.gz IESWLOLIAFRWTH-OAHLLOKOSA-N 1 1 335.452 0.035 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccon2)CC1 ZINC001070980282 784307884 /nfs/dbraw/zinc/30/78/84/784307884.db2.gz YXNZEYNBFOOKCG-UHFFFAOYSA-N 1 1 332.404 0.281 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccon2)CC1 ZINC001070980282 784307893 /nfs/dbraw/zinc/30/78/93/784307893.db2.gz YXNZEYNBFOOKCG-UHFFFAOYSA-N 1 1 332.404 0.281 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCC(=O)NCC[N@@H+](C[C@@H](C)O)CC1 ZINC001070995209 784352529 /nfs/dbraw/zinc/35/25/29/784352529.db2.gz WCCJOFVBQBWNPZ-PBHICJAKSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCC(=O)NCC[N@H+](C[C@@H](C)O)CC1 ZINC001070995209 784352539 /nfs/dbraw/zinc/35/25/39/784352539.db2.gz WCCJOFVBQBWNPZ-PBHICJAKSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC2=CCOCC2)CC1 ZINC001070996543 784358800 /nfs/dbraw/zinc/35/88/00/784358800.db2.gz XHKKHUBCFCDLJY-UHFFFAOYSA-N 1 1 333.432 0.397 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC2=CCOCC2)CC1 ZINC001070996543 784358805 /nfs/dbraw/zinc/35/88/05/784358805.db2.gz XHKKHUBCFCDLJY-UHFFFAOYSA-N 1 1 333.432 0.397 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(=O)NCC[N@H+](CC(C)C)CC2)c1 ZINC001070997619 784361142 /nfs/dbraw/zinc/36/11/42/784361142.db2.gz RMWZCKGPKVVLFU-UHFFFAOYSA-N 1 1 342.443 0.983 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001071002826 784376982 /nfs/dbraw/zinc/37/69/82/784376982.db2.gz GNPMDHFLHYHWJX-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001070592801 784395870 /nfs/dbraw/zinc/39/58/70/784395870.db2.gz GZGIWISFLLTHQP-KGLIPLIRSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070592801 784395878 /nfs/dbraw/zinc/39/58/78/784395878.db2.gz GZGIWISFLLTHQP-KGLIPLIRSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070592801 784395887 /nfs/dbraw/zinc/39/58/87/784395887.db2.gz GZGIWISFLLTHQP-KGLIPLIRSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070592801 784395896 /nfs/dbraw/zinc/39/58/96/784395896.db2.gz GZGIWISFLLTHQP-KGLIPLIRSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001070592801 784395902 /nfs/dbraw/zinc/39/59/02/784395902.db2.gz GZGIWISFLLTHQP-KGLIPLIRSA-N 1 1 348.451 0.322 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2cc[nH]n2)n1 ZINC001070595780 784405655 /nfs/dbraw/zinc/40/56/55/784405655.db2.gz NCGJMOVTYMHVDX-GJZGRUSLSA-N 1 1 342.403 0.510 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(CC)nn2)CC1 ZINC001071011579 784407519 /nfs/dbraw/zinc/40/75/19/784407519.db2.gz LRDZHWLXAIBGIP-UHFFFAOYSA-N 1 1 334.424 0.138 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(CC)nn2)CC1 ZINC001071011579 784407522 /nfs/dbraw/zinc/40/75/22/784407522.db2.gz LRDZHWLXAIBGIP-UHFFFAOYSA-N 1 1 334.424 0.138 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC001071016366 784426435 /nfs/dbraw/zinc/42/64/35/784426435.db2.gz KAEPYUZADSCTFT-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC001071016366 784426442 /nfs/dbraw/zinc/42/64/42/784426442.db2.gz KAEPYUZADSCTFT-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@@H](C)O2 ZINC001071134205 784578381 /nfs/dbraw/zinc/57/83/81/784578381.db2.gz OEWOZSNKZURVIK-QAPCUYQASA-N 1 1 333.432 0.324 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001070712424 784582805 /nfs/dbraw/zinc/58/28/05/784582805.db2.gz VPIYKQCFMPVCHF-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001070712424 784582810 /nfs/dbraw/zinc/58/28/10/784582810.db2.gz VPIYKQCFMPVCHF-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cccn1)C[C@@H](C)O2 ZINC001071139370 784586981 /nfs/dbraw/zinc/58/69/81/784586981.db2.gz TYEBWWDRAOPSHG-SJLPKXTDSA-N 1 1 330.432 0.988 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001070729250 784611547 /nfs/dbraw/zinc/61/15/47/784611547.db2.gz FDHAMQHTPNQXLB-LUKYLMHMSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001070730381 784615856 /nfs/dbraw/zinc/61/58/56/784615856.db2.gz FDODBWNKCXBXPT-OAHLLOKOSA-N 1 1 335.448 0.618 20 30 ECEDMO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071154835 784617369 /nfs/dbraw/zinc/61/73/69/784617369.db2.gz PZEBQVRPZVAOJC-SUMWQHHRSA-N 1 1 332.404 0.574 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCc2nc([C@H]3C[C@H](F)CN3CC#N)n[nH]2)CC[N@H+]1C ZINC001070731086 784619203 /nfs/dbraw/zinc/61/92/03/784619203.db2.gz GAWBWCWHXHIEAW-YVECIDJPSA-N 1 1 349.414 0.370 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCc2n[nH]c([C@H]3C[C@H](F)CN3CC#N)n2)CC[N@@H+]1C ZINC001070731086 784619211 /nfs/dbraw/zinc/61/92/11/784619211.db2.gz GAWBWCWHXHIEAW-YVECIDJPSA-N 1 1 349.414 0.370 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCc2n[nH]c([C@H]3C[C@H](F)CN3CC#N)n2)CC[N@H+]1C ZINC001070731086 784619218 /nfs/dbraw/zinc/61/92/18/784619218.db2.gz GAWBWCWHXHIEAW-YVECIDJPSA-N 1 1 349.414 0.370 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCc2nnc([C@H]3C[C@H](F)CN3CC#N)[nH]2)CC[N@@H+]1C ZINC001070731086 784619227 /nfs/dbraw/zinc/61/92/27/784619227.db2.gz GAWBWCWHXHIEAW-YVECIDJPSA-N 1 1 349.414 0.370 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCc2nnc([C@H]3C[C@H](F)CN3CC#N)[nH]2)CC[N@H+]1C ZINC001070731086 784619232 /nfs/dbraw/zinc/61/92/32/784619232.db2.gz GAWBWCWHXHIEAW-YVECIDJPSA-N 1 1 349.414 0.370 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)C[C@H](C)O2 ZINC001071160169 784629316 /nfs/dbraw/zinc/62/93/16/784629316.db2.gz ZEGQVAGJTMGTAT-DOTOQJQBSA-N 1 1 331.420 0.383 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cccc(C)c1=O)C[C@H](C)O2 ZINC001071169387 784647726 /nfs/dbraw/zinc/64/77/26/784647726.db2.gz QKDZCZFTEBAORI-LPHOPBHVSA-N 1 1 343.427 0.482 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nnn1CC)C[C@@H](C)O2 ZINC001071175144 784662672 /nfs/dbraw/zinc/66/26/72/784662672.db2.gz BMBOEWOJCUPHDR-DYVFJYSZSA-N 1 1 331.420 0.545 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3c(n1)COCC3)C[C@@H](C)O2 ZINC001071180215 784677368 /nfs/dbraw/zinc/67/73/68/784677368.db2.gz IMNBRSOVONVKBL-RDTXWAMCSA-N 1 1 346.431 0.905 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@H](C)O2 ZINC001071183152 784682380 /nfs/dbraw/zinc/68/23/80/784682380.db2.gz KCDAEOCWKGCFGP-KBXCAEBGSA-N 1 1 329.400 0.324 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@H](C)O2 ZINC001071183438 784684152 /nfs/dbraw/zinc/68/41/52/784684152.db2.gz OAUTWROIWZFBFF-KSSFIOAISA-N 1 1 331.416 0.877 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@H](C)O2 ZINC001071191494 784701583 /nfs/dbraw/zinc/70/15/83/784701583.db2.gz GZSFRTYRSCDRJT-KBXCAEBGSA-N 1 1 344.415 0.109 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3nnnn3c1)C[C@@H](C)O2 ZINC001071191997 784703469 /nfs/dbraw/zinc/70/34/69/784703469.db2.gz KZJSTHGEIIETNI-CXAGYDPISA-N 1 1 342.403 0.616 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@@H](C)O2 ZINC001071194445 784709457 /nfs/dbraw/zinc/70/94/57/784709457.db2.gz JJUXUDLBOJBQSG-CRAIPNDOSA-N 1 1 345.447 0.556 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)n1C)C[C@@H](C)O2 ZINC001071199626 784721041 /nfs/dbraw/zinc/72/10/41/784721041.db2.gz NWOWJEBLZMNVQD-DYVFJYSZSA-N 1 1 332.404 0.454 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccc(C)n1)C[C@@H](C)O2 ZINC001071212425 784749367 /nfs/dbraw/zinc/74/93/67/784749367.db2.gz XJYRUHUXJUMWBF-SJLPKXTDSA-N 1 1 330.432 0.907 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nccc1C)C[C@H](C)O2 ZINC001071216487 784757658 /nfs/dbraw/zinc/75/76/58/784757658.db2.gz RCBVABGOCWCTNU-FUHWJXTLSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CCO)C3)C2)nn1 ZINC001071218357 784761919 /nfs/dbraw/zinc/76/19/19/784761919.db2.gz MOYGNCRBFDWTAT-PBHICJAKSA-N 1 1 349.435 0.152 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CCO)C3)C2)nn1 ZINC001071218358 784762859 /nfs/dbraw/zinc/76/28/59/784762859.db2.gz MOYGNCRBFDWTAT-RHSMWYFYSA-N 1 1 349.435 0.152 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@@H](C)O2 ZINC001071219062 784763499 /nfs/dbraw/zinc/76/34/99/784763499.db2.gz SGTNASMGNJAMHT-DYVFJYSZSA-N 1 1 332.404 0.977 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cnnn1)C[C@H](C)O2 ZINC001071222591 784775796 /nfs/dbraw/zinc/77/57/96/784775796.db2.gz DRLGKEDIEIIFEJ-HOCLYGCPSA-N 1 1 334.424 0.331 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnccn1)C[C@H](C)O2 ZINC001071225750 784782973 /nfs/dbraw/zinc/78/29/73/784782973.db2.gz OZNXSPCUVBJVQX-YJBOKZPZSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CCN1CC[C@@]2(C1)CN(C(=O)COC1CC[NH+](C)CC1)C[C@@H](C)O2 ZINC001071225682 784783133 /nfs/dbraw/zinc/78/31/33/784783133.db2.gz NUDIITXRIWCNRS-VQIMIIECSA-N 1 1 349.475 0.422 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@@H](C)O2 ZINC001071226396 784784345 /nfs/dbraw/zinc/78/43/45/784784345.db2.gz ZOSAISNXCIWWKM-FZKQIMNGSA-N 1 1 344.415 0.442 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)C[C@@H](C)O2 ZINC001071241077 784815327 /nfs/dbraw/zinc/81/53/27/784815327.db2.gz OQKXFIMSGBXJGD-ACJLOTCBSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@@H](C)O2 ZINC001071246631 784827857 /nfs/dbraw/zinc/82/78/57/784827857.db2.gz YRZBZCMQQASBGY-DYVFJYSZSA-N 1 1 331.420 0.545 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@@H](C)O2 ZINC001071246631 784827863 /nfs/dbraw/zinc/82/78/63/784827863.db2.gz YRZBZCMQQASBGY-DYVFJYSZSA-N 1 1 331.420 0.545 20 30 ECEDMO C#CCN1CCN([C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C(=O)C1 ZINC001071271947 784905051 /nfs/dbraw/zinc/90/50/51/784905051.db2.gz BKSXQCGACCIBKA-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccnnc3)C2)C(=O)C1 ZINC001071273956 784911171 /nfs/dbraw/zinc/91/11/71/784911171.db2.gz LHGRVGWDQVAFLA-MRXNPFEDSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccnnc3)C2)C(=O)C1 ZINC001071273956 784911175 /nfs/dbraw/zinc/91/11/75/784911175.db2.gz LHGRVGWDQVAFLA-MRXNPFEDSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)C(=O)C1 ZINC001071274234 784911620 /nfs/dbraw/zinc/91/16/20/784911620.db2.gz SZJNMWRCPJVZQV-MRXNPFEDSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)C(=O)C1 ZINC001071274234 784911627 /nfs/dbraw/zinc/91/16/27/784911627.db2.gz SZJNMWRCPJVZQV-MRXNPFEDSA-N 1 1 345.447 0.664 20 30 ECEDMO C=C(C)CN1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277558 784924905 /nfs/dbraw/zinc/92/49/05/784924905.db2.gz YKVHLVVBLKMZTM-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071414248 785061992 /nfs/dbraw/zinc/06/19/92/785061992.db2.gz RHRUNYPHJFSWHN-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CC(=O)NC1CC1 ZINC001071414248 785061999 /nfs/dbraw/zinc/06/19/99/785061999.db2.gz RHRUNYPHJFSWHN-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2ccnc3c2nnn3C)CC[C@@H]1C ZINC001071772437 785082489 /nfs/dbraw/zinc/08/24/89/785082489.db2.gz KWRPECPEHAEQQH-QWHCGFSZSA-N 1 1 326.404 0.969 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1C ZINC001071816799 785153503 /nfs/dbraw/zinc/15/35/03/785153503.db2.gz ZABDIYAKFRTWMY-WDEREUQCSA-N 1 1 341.437 0.216 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C ZINC001071860454 785232993 /nfs/dbraw/zinc/23/29/93/785232993.db2.gz IYSUBMLOKQHSDX-STQMWFEESA-N 1 1 334.420 0.243 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)CC[C@@H]1C ZINC001071561840 785307592 /nfs/dbraw/zinc/30/75/92/785307592.db2.gz WFTNWNHYFWTQHS-NWDGAFQWSA-N 1 1 327.388 0.890 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001071921658 785339584 /nfs/dbraw/zinc/33/95/84/785339584.db2.gz JMDDKETVYLFZKX-WFASDCNBSA-N 1 1 331.420 0.805 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC[C@H]1C ZINC001071930538 785354432 /nfs/dbraw/zinc/35/44/32/785354432.db2.gz GKGNVMFNCNXREB-YPMHNXCESA-N 1 1 332.404 0.731 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC001071622614 785408126 /nfs/dbraw/zinc/40/81/26/785408126.db2.gz MFNVFCMLLYCYPD-AAEUAGOBSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC001071622614 785408131 /nfs/dbraw/zinc/40/81/31/785408131.db2.gz MFNVFCMLLYCYPD-AAEUAGOBSA-N 1 1 339.417 0.533 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cn(C3CCOCC3)nn2)CC[C@@H]1C ZINC001071975825 785457708 /nfs/dbraw/zinc/45/77/08/785457708.db2.gz ZPDLQDPIBJLNHL-UONOGXRCSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cn(C3CCOCC3)nn2)CC[C@@H]1C ZINC001071975825 785457714 /nfs/dbraw/zinc/45/77/14/785457714.db2.gz ZPDLQDPIBJLNHL-UONOGXRCSA-N 1 1 331.420 0.846 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071658882 785465600 /nfs/dbraw/zinc/46/56/00/785465600.db2.gz QUXGWTJQYLYKAF-STQMWFEESA-N 1 1 340.493 0.937 20 30 ECEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@H]1C ZINC001071671190 785492123 /nfs/dbraw/zinc/49/21/23/785492123.db2.gz YUSSWNMLRGBNSH-ZIAGYGMSSA-N 1 1 334.420 0.658 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@@H]1C ZINC001071701214 785554814 /nfs/dbraw/zinc/55/48/14/785554814.db2.gz FGOYPRIHHDTZPN-STQMWFEESA-N 1 1 327.392 0.826 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@@H]1C ZINC001071721214 785584110 /nfs/dbraw/zinc/58/41/10/785584110.db2.gz NLDOWZSAADXTAJ-LSDHHAIUSA-N 1 1 341.415 0.488 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001071744014 785624536 /nfs/dbraw/zinc/62/45/36/785624536.db2.gz IGBYXNQNKRUFNE-WFASDCNBSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001071744014 785624540 /nfs/dbraw/zinc/62/45/40/785624540.db2.gz IGBYXNQNKRUFNE-WFASDCNBSA-N 1 1 339.403 0.865 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@@H]1C ZINC001072098983 785666339 /nfs/dbraw/zinc/66/63/39/785666339.db2.gz JTWZHYLUWIAHAA-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](C)C1 ZINC001072282936 785968881 /nfs/dbraw/zinc/96/88/81/785968881.db2.gz LUZTVAUMMCSZDN-WFASDCNBSA-N 1 1 331.420 0.803 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C2)cn1 ZINC001072467405 786225179 /nfs/dbraw/zinc/22/51/79/786225179.db2.gz HINZETVDPJHNDV-RHSMWYFYSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)Cc4cc[nH]n4)C3)C2)C1=O ZINC001072572018 786380793 /nfs/dbraw/zinc/38/07/93/786380793.db2.gz DNWMRLJRSILFRN-HNNXBMFYSA-N 1 1 343.431 0.273 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)Cc4ccn[nH]4)C3)C2)C1=O ZINC001072572018 786380799 /nfs/dbraw/zinc/38/07/99/786380799.db2.gz DNWMRLJRSILFRN-HNNXBMFYSA-N 1 1 343.431 0.273 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)Cc4ccn[nH]4)C3)C2)C1=O ZINC001072572018 786380802 /nfs/dbraw/zinc/38/08/02/786380802.db2.gz DNWMRLJRSILFRN-HNNXBMFYSA-N 1 1 343.431 0.273 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001074239471 786484927 /nfs/dbraw/zinc/48/49/27/786484927.db2.gz GCMIHCYEPWSHRI-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21 ZINC001074266577 786547022 /nfs/dbraw/zinc/54/70/22/786547022.db2.gz MWWAAKXBOZIDAZ-GJZGRUSLSA-N 1 1 332.404 0.767 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21 ZINC001074266577 786547026 /nfs/dbraw/zinc/54/70/26/786547026.db2.gz MWWAAKXBOZIDAZ-GJZGRUSLSA-N 1 1 332.404 0.767 20 30 ECEDMO Cn1cc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001073566999 786626586 /nfs/dbraw/zinc/62/65/86/786626586.db2.gz ZUVXHMKIYISYNE-HNNXBMFYSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1cc(C[N@H+]2CCCO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001073566999 786626590 /nfs/dbraw/zinc/62/65/90/786626590.db2.gz ZUVXHMKIYISYNE-HNNXBMFYSA-N 1 1 342.403 0.641 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC001074308855 786643743 /nfs/dbraw/zinc/64/37/43/786643743.db2.gz ODPWTFKTFRZOHZ-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](CC4CC4)[C@@H]3C2)nn1 ZINC001074354387 786739617 /nfs/dbraw/zinc/73/96/17/786739617.db2.gz POTCWICUEICZOP-CVEARBPZSA-N 1 1 331.420 0.789 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@@H]3C2)nn1 ZINC001074354387 786739626 /nfs/dbraw/zinc/73/96/26/786739626.db2.gz POTCWICUEICZOP-CVEARBPZSA-N 1 1 331.420 0.789 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CCOC)nc2C)C1 ZINC001073602426 786751378 /nfs/dbraw/zinc/75/13/78/786751378.db2.gz XLMVHDJYTMVDIC-INIZCTEOSA-N 1 1 348.447 0.682 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc(OC(C)C)cn2)C1 ZINC001073603849 786755636 /nfs/dbraw/zinc/75/56/36/786755636.db2.gz QEANFPLJFLELBV-AWEZNQCLSA-N 1 1 332.404 0.718 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(OC(C)C)cn2)C1 ZINC001073603849 786755641 /nfs/dbraw/zinc/75/56/41/786755641.db2.gz QEANFPLJFLELBV-AWEZNQCLSA-N 1 1 332.404 0.718 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001073605762 786760579 /nfs/dbraw/zinc/76/05/79/786760579.db2.gz UDEWTRMBIOGDMS-ZDUSSCGKSA-N 1 1 334.424 0.272 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001073617820 786779871 /nfs/dbraw/zinc/77/98/71/786779871.db2.gz NFPIZNPLCTWLPY-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(Br)n[nH]2)C1 ZINC001073623192 786792782 /nfs/dbraw/zinc/79/27/82/786792782.db2.gz AREHQGJXHBWVDS-SNVBAGLBSA-N 1 1 341.209 0.626 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(Br)n[nH]2)C1 ZINC001073623192 786792785 /nfs/dbraw/zinc/79/27/85/786792785.db2.gz AREHQGJXHBWVDS-SNVBAGLBSA-N 1 1 341.209 0.626 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001073624028 786795716 /nfs/dbraw/zinc/79/57/16/786795716.db2.gz ZURRIPQYMCWEOR-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@H]21 ZINC001074377458 786798319 /nfs/dbraw/zinc/79/83/19/786798319.db2.gz LHQGVARPIUDEID-HUUCEWRRSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@H]21 ZINC001074377458 786798327 /nfs/dbraw/zinc/79/83/27/786798327.db2.gz LHQGVARPIUDEID-HUUCEWRRSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001073626237 786800952 /nfs/dbraw/zinc/80/09/52/786800952.db2.gz MGCTVWKHKVLYRV-NVXWUHKLSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001073626237 786800962 /nfs/dbraw/zinc/80/09/62/786800962.db2.gz MGCTVWKHKVLYRV-NVXWUHKLSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ncccc2NC(C)=O)C1 ZINC001073630827 786818211 /nfs/dbraw/zinc/81/82/11/786818211.db2.gz GKKADFQBDRWESY-HNNXBMFYSA-N 1 1 344.415 0.884 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ncccc2NC(C)=O)C1 ZINC001073630827 786818219 /nfs/dbraw/zinc/81/82/19/786818219.db2.gz GKKADFQBDRWESY-HNNXBMFYSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001073636961 786834702 /nfs/dbraw/zinc/83/47/02/786834702.db2.gz MAONUZXTSQFKLH-WMLDXEAASA-N 1 1 341.411 0.354 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001073636961 786834713 /nfs/dbraw/zinc/83/47/13/786834713.db2.gz MAONUZXTSQFKLH-WMLDXEAASA-N 1 1 341.411 0.354 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3nccnc3c2)C1 ZINC001073637411 786839713 /nfs/dbraw/zinc/83/97/13/786839713.db2.gz YPJJPZBNMRRGKI-HNNXBMFYSA-N 1 1 339.399 0.869 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001073645427 786860874 /nfs/dbraw/zinc/86/08/74/786860874.db2.gz MYWIYDLAERCAFC-CVEARBPZSA-N 1 1 343.431 0.286 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001073645427 786860882 /nfs/dbraw/zinc/86/08/82/786860882.db2.gz MYWIYDLAERCAFC-CVEARBPZSA-N 1 1 343.431 0.286 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC(F)F)n2)C1 ZINC001073648794 786868661 /nfs/dbraw/zinc/86/86/61/786868661.db2.gz CSDYNXSMDGFLQT-ZDUSSCGKSA-N 1 1 340.374 0.992 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC(F)F)n2)C1 ZINC001073648794 786868674 /nfs/dbraw/zinc/86/86/74/786868674.db2.gz CSDYNXSMDGFLQT-ZDUSSCGKSA-N 1 1 340.374 0.992 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001073660701 786901977 /nfs/dbraw/zinc/90/19/77/786901977.db2.gz MBLPQKJZFNOHJL-OWCLPIDISA-N 1 1 325.453 0.489 20 30 ECEDMO C=C(Cl)CN1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660925 786904463 /nfs/dbraw/zinc/90/44/63/786904463.db2.gz RNHCNVVVNHIERN-RBSFLKMASA-N 1 1 345.871 0.665 20 30 ECEDMO C=C(Cl)CN1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660925 786904468 /nfs/dbraw/zinc/90/44/68/786904468.db2.gz RNHCNVVVNHIERN-RBSFLKMASA-N 1 1 345.871 0.665 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001073661227 786906402 /nfs/dbraw/zinc/90/64/02/786906402.db2.gz ZHMJGYNJTNXTNQ-GJZGRUSLSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001073661227 786906406 /nfs/dbraw/zinc/90/64/06/786906406.db2.gz ZHMJGYNJTNXTNQ-GJZGRUSLSA-N 1 1 330.432 0.919 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001073661170 786906766 /nfs/dbraw/zinc/90/67/66/786906766.db2.gz XLVUDJAXYHTBOT-AWEZNQCLSA-N 1 1 332.404 0.643 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001073661228 786906804 /nfs/dbraw/zinc/90/68/04/786906804.db2.gz ZHMJGYNJTNXTNQ-HUUCEWRRSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001073661228 786906809 /nfs/dbraw/zinc/90/68/09/786906809.db2.gz ZHMJGYNJTNXTNQ-HUUCEWRRSA-N 1 1 330.432 0.919 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]21 ZINC001074417958 786920585 /nfs/dbraw/zinc/92/05/85/786920585.db2.gz XNDZHEPKSAXZRO-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]21 ZINC001074417958 786920587 /nfs/dbraw/zinc/92/05/87/786920587.db2.gz XNDZHEPKSAXZRO-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(N(C)C)nc2)C1 ZINC001073672840 786935273 /nfs/dbraw/zinc/93/52/73/786935273.db2.gz QNESRSSTUORGTE-MRXNPFEDSA-N 1 1 330.432 0.992 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001073687513 786971944 /nfs/dbraw/zinc/97/19/44/786971944.db2.gz UAIRMXRELIPULY-HUUCEWRRSA-N 1 1 338.452 0.560 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001073694208 786983752 /nfs/dbraw/zinc/98/37/52/786983752.db2.gz XKTLTYGPRICRPM-AWEZNQCLSA-N 1 1 330.392 0.521 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001073709891 787018696 /nfs/dbraw/zinc/01/86/96/787018696.db2.gz LAMPQQTWPDZMPL-CVEARBPZSA-N 1 1 345.447 0.379 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001073710291 787019771 /nfs/dbraw/zinc/01/97/71/787019771.db2.gz WHWPVKKZOXNXDG-HUUCEWRRSA-N 1 1 333.436 0.542 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001073710290 787020521 /nfs/dbraw/zinc/02/05/21/787020521.db2.gz WHWPVKKZOXNXDG-GJZGRUSLSA-N 1 1 333.436 0.542 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001073712716 787026955 /nfs/dbraw/zinc/02/69/55/787026955.db2.gz KEZDHJKLJRKGIY-LSDHHAIUSA-N 1 1 346.431 0.758 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001073712595 787027718 /nfs/dbraw/zinc/02/77/18/787027718.db2.gz GVOURYPSYJOTEP-HUUCEWRRSA-N 1 1 346.431 0.378 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001073712595 787027728 /nfs/dbraw/zinc/02/77/28/787027728.db2.gz GVOURYPSYJOTEP-HUUCEWRRSA-N 1 1 346.431 0.378 20 30 ECEDMO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073740947 787094168 /nfs/dbraw/zinc/09/41/68/787094168.db2.gz MBABCOLCAWAIBC-DLBZAZTESA-N 1 1 339.480 0.879 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073740947 787094184 /nfs/dbraw/zinc/09/41/84/787094184.db2.gz MBABCOLCAWAIBC-DLBZAZTESA-N 1 1 339.480 0.879 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001073766319 787161159 /nfs/dbraw/zinc/16/11/59/787161159.db2.gz BPBSSORWFKJBPG-CQSZACIVSA-N 1 1 341.415 0.812 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2cncn2C)CCCO1 ZINC001073774877 787181128 /nfs/dbraw/zinc/18/11/28/787181128.db2.gz LFRPUJHSAVVLKJ-BBWFWOEESA-N 1 1 348.447 0.718 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2cncn2C)CCCO1 ZINC001073774877 787181129 /nfs/dbraw/zinc/18/11/29/787181129.db2.gz LFRPUJHSAVVLKJ-BBWFWOEESA-N 1 1 348.447 0.718 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)cc1 ZINC001073801489 787229522 /nfs/dbraw/zinc/22/95/22/787229522.db2.gz MJXGPBQYJDSOPW-KRWDZBQOSA-N 1 1 332.400 0.512 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)s2)C1 ZINC001073815893 787250662 /nfs/dbraw/zinc/25/06/62/787250662.db2.gz OLMWABGAANVYTF-GFCCVEGCSA-N 1 1 335.429 0.691 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001073815604 787250837 /nfs/dbraw/zinc/25/08/37/787250837.db2.gz FMTNQEZQRIIJFD-CQSZACIVSA-N 1 1 345.403 0.832 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001073816254 787251881 /nfs/dbraw/zinc/25/18/81/787251881.db2.gz YNWZQRIHNBGNIW-CQSZACIVSA-N 1 1 343.387 0.279 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001073819739 787262679 /nfs/dbraw/zinc/26/26/79/787262679.db2.gz IOYWQKKMEBAYKQ-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001073821573 787267862 /nfs/dbraw/zinc/26/78/62/787267862.db2.gz MSSYAPSAZNFLRB-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001074579780 787312207 /nfs/dbraw/zinc/31/22/07/787312207.db2.gz VBLZBWCRMKVCAD-MRXNPFEDSA-N 1 1 349.475 0.457 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 ZINC001073848151 787348615 /nfs/dbraw/zinc/34/86/15/787348615.db2.gz QNZYXYQLNGETPZ-CABCVRRESA-N 1 1 330.432 0.745 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001073848151 787348625 /nfs/dbraw/zinc/34/86/25/787348625.db2.gz QNZYXYQLNGETPZ-CABCVRRESA-N 1 1 330.432 0.745 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001073848151 787348636 /nfs/dbraw/zinc/34/86/36/787348636.db2.gz QNZYXYQLNGETPZ-CABCVRRESA-N 1 1 330.432 0.745 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001073856568 787371313 /nfs/dbraw/zinc/37/13/13/787371313.db2.gz JBKJSWZUMDJQEQ-AWEZNQCLSA-N 1 1 342.403 0.277 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ncoc2-c2ccon2)C1 ZINC001073862661 787390434 /nfs/dbraw/zinc/39/04/34/787390434.db2.gz VOAJJCDNFAVAKQ-GFCCVEGCSA-N 1 1 330.344 0.784 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ncoc2-c2ccon2)C1 ZINC001073862661 787390444 /nfs/dbraw/zinc/39/04/44/787390444.db2.gz VOAJJCDNFAVAKQ-GFCCVEGCSA-N 1 1 330.344 0.784 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001073872522 787411450 /nfs/dbraw/zinc/41/14/50/787411450.db2.gz SDAPTDDIHBIKRN-HNNXBMFYSA-N 1 1 341.415 0.812 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001073876814 787419890 /nfs/dbraw/zinc/41/98/90/787419890.db2.gz NRMQAICXKJNIKY-AWEZNQCLSA-N 1 1 342.403 0.277 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001073876814 787419896 /nfs/dbraw/zinc/41/98/96/787419896.db2.gz NRMQAICXKJNIKY-AWEZNQCLSA-N 1 1 342.403 0.277 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001073883541 787430025 /nfs/dbraw/zinc/43/00/25/787430025.db2.gz QWXQYEIUJZJYBI-CQSZACIVSA-N 1 1 332.404 0.107 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001073883541 787430031 /nfs/dbraw/zinc/43/00/31/787430031.db2.gz QWXQYEIUJZJYBI-CQSZACIVSA-N 1 1 332.404 0.107 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C2(C)CC2)CC1 ZINC001074628177 787444894 /nfs/dbraw/zinc/44/48/94/787444894.db2.gz ZPTNNBLYZGHJTP-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C2(C)CC2)CC1 ZINC001074628177 787444899 /nfs/dbraw/zinc/44/48/99/787444899.db2.gz ZPTNNBLYZGHJTP-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001073892804 787456572 /nfs/dbraw/zinc/45/65/72/787456572.db2.gz AORCUWZJRGFALD-HNNXBMFYSA-N 1 1 330.388 0.025 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001073895786 787463335 /nfs/dbraw/zinc/46/33/35/787463335.db2.gz BGXMPLJPUVNXII-HOCLYGCPSA-N 1 1 330.432 0.745 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001073896686 787467544 /nfs/dbraw/zinc/46/75/44/787467544.db2.gz YMZJFPAQURGERA-AWEZNQCLSA-N 1 1 346.431 0.967 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001073901672 787482258 /nfs/dbraw/zinc/48/22/58/787482258.db2.gz AWRKSPRVGCIZGH-HUUCEWRRSA-N 1 1 333.436 0.624 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001073905641 787489718 /nfs/dbraw/zinc/48/97/18/787489718.db2.gz LGIWJIPVVHEAKA-CQSZACIVSA-N 1 1 330.388 0.025 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c(OC)ncnc2OC)C1 ZINC001073908512 787496093 /nfs/dbraw/zinc/49/60/93/787496093.db2.gz NFAALDJLWYREIA-CYBMUJFWSA-N 1 1 348.403 0.338 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(OC)ncnc2OC)C1 ZINC001073908512 787496099 /nfs/dbraw/zinc/49/60/99/787496099.db2.gz NFAALDJLWYREIA-CYBMUJFWSA-N 1 1 348.403 0.338 20 30 ECEDMO CC#CCCCC(=O)N1CCC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001074680877 787579218 /nfs/dbraw/zinc/57/92/18/787579218.db2.gz GXRUBXOXWWNODX-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001073971847 787610760 /nfs/dbraw/zinc/61/07/60/787610760.db2.gz OWLXPTJNXGHTRX-ZFWWWQNUSA-N 1 1 334.420 0.747 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)CSCC#N)C[C@H]1C ZINC001073972382 787612975 /nfs/dbraw/zinc/61/29/75/787612975.db2.gz WJNOVFWWFCJLOU-OCCSQVGLSA-N 1 1 349.460 0.802 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001074707248 787649713 /nfs/dbraw/zinc/64/97/13/787649713.db2.gz XHXPTBCILTVIJP-ZDUSSCGKSA-N 1 1 336.436 0.100 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001074731324 787722128 /nfs/dbraw/zinc/72/21/28/787722128.db2.gz NRZFJAQZCAHOMH-HOTGVXAUSA-N 1 1 349.475 0.313 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CCCCO4)C3)C2)C1=O ZINC001072627835 788467167 /nfs/dbraw/zinc/46/71/67/788467167.db2.gz BBIDGLFDOPEIAI-HOTGVXAUSA-N 1 1 347.459 0.877 20 30 ECEDMO CCn1nncc1C[N@@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072639857 788484288 /nfs/dbraw/zinc/48/42/88/788484288.db2.gz UHOVHBGGJIXQCQ-UHFFFAOYSA-N 1 1 339.403 0.846 20 30 ECEDMO CCn1nncc1C[N@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072639857 788484291 /nfs/dbraw/zinc/48/42/91/788484291.db2.gz UHOVHBGGJIXQCQ-UHFFFAOYSA-N 1 1 339.403 0.846 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)C1=O ZINC001072644842 788493156 /nfs/dbraw/zinc/49/31/56/788493156.db2.gz QINKIQMNEQROGG-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC001072732222 788664955 /nfs/dbraw/zinc/66/49/55/788664955.db2.gz AJWLYNDDMULKOO-CQSZACIVSA-N 1 1 341.415 0.320 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](C)C1 ZINC001072736125 788672050 /nfs/dbraw/zinc/67/20/50/788672050.db2.gz BYJSQBSNBMNRST-WFASDCNBSA-N 1 1 331.420 0.805 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(=O)N(C)C)C2 ZINC001072748225 788707740 /nfs/dbraw/zinc/70/77/40/788707740.db2.gz XRICYALNMIXZMM-OAGGEKHMSA-N 1 1 349.475 0.979 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C#CC1CC1 ZINC001075067281 788842285 /nfs/dbraw/zinc/84/22/85/788842285.db2.gz NHBFPHNDFJNNGV-DOTOQJQBSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001075070083 788847862 /nfs/dbraw/zinc/84/78/62/788847862.db2.gz SLQJOZNABRUBMA-DZGCQCFKSA-N 1 1 334.420 0.890 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)C4CC(OC)C4)C3)C2)C1=O ZINC001072838199 788933611 /nfs/dbraw/zinc/93/36/11/788933611.db2.gz BVNQVKZVQLNKOO-GPANFISMSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)CS(=O)(=O)C3CCCC3)C2)C1 ZINC001072857515 788974544 /nfs/dbraw/zinc/97/45/44/788974544.db2.gz DQCLYEPERTXJTL-UHFFFAOYSA-N 1 1 338.473 0.901 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001072867372 788993129 /nfs/dbraw/zinc/99/31/29/788993129.db2.gz BNOVJXKSCGEWJP-CYBMUJFWSA-N 1 1 331.420 0.657 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001072867948 788994862 /nfs/dbraw/zinc/99/48/62/788994862.db2.gz VEGRFXXFRHQEBU-CYBMUJFWSA-N 1 1 329.404 0.104 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001072870760 788998900 /nfs/dbraw/zinc/99/89/00/788998900.db2.gz SHUWLNVFCXFOHD-UHFFFAOYSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CCC2(CN(C(=O)Cn3nnc(-c4ccco4)n3)C2)C1 ZINC001072886659 789029963 /nfs/dbraw/zinc/02/99/63/789029963.db2.gz YQLDUEJWKQGAQE-UHFFFAOYSA-N 1 1 328.376 0.653 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC001072978179 789202094 /nfs/dbraw/zinc/20/20/94/789202094.db2.gz HFWTVBPVBSFTAG-LSDHHAIUSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001073029028 789304623 /nfs/dbraw/zinc/30/46/23/789304623.db2.gz JTQNANVZYJLAEV-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001073038638 789321899 /nfs/dbraw/zinc/32/18/99/789321899.db2.gz MSUVWXRZAZKXMX-KDOFPFPSSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001075416252 789344743 /nfs/dbraw/zinc/34/47/43/789344743.db2.gz WJBDEPITPANNAG-WMZOPIPTSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001075416252 789344749 /nfs/dbraw/zinc/34/47/49/789344749.db2.gz WJBDEPITPANNAG-WMZOPIPTSA-N 1 1 345.447 0.746 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1 ZINC001073052263 789349844 /nfs/dbraw/zinc/34/98/44/789349844.db2.gz LKGXSVWKAKSJGH-UHFFFAOYSA-N 1 1 332.404 0.085 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001073093257 789429978 /nfs/dbraw/zinc/42/99/78/789429978.db2.gz OWFISQSLRXMZRO-HNNXBMFYSA-N 1 1 337.464 0.862 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC001073124189 789479400 /nfs/dbraw/zinc/47/94/00/789479400.db2.gz AGIPPCYFYYISRW-UHFFFAOYSA-N 1 1 334.376 0.620 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC001073124458 789480638 /nfs/dbraw/zinc/48/06/38/789480638.db2.gz NPGHJBFGULOKFE-UHFFFAOYSA-N 1 1 328.376 0.142 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1snnc1C ZINC001075574571 789522515 /nfs/dbraw/zinc/52/25/15/789522515.db2.gz PWFFOTXNFOZPTL-AAEUAGOBSA-N 1 1 349.460 0.569 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1snnc1C ZINC001075574571 789522520 /nfs/dbraw/zinc/52/25/20/789522520.db2.gz PWFFOTXNFOZPTL-AAEUAGOBSA-N 1 1 349.460 0.569 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnns4)[C@@H]3C2)C1=O ZINC001075584874 789532022 /nfs/dbraw/zinc/53/20/22/789532022.db2.gz HBNAIFYSFLAFCU-YNEHKIRRSA-N 1 1 347.444 0.471 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnns4)[C@@H]3C2)C1=O ZINC001075584874 789532027 /nfs/dbraw/zinc/53/20/27/789532027.db2.gz HBNAIFYSFLAFCU-YNEHKIRRSA-N 1 1 347.444 0.471 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001073347359 789749318 /nfs/dbraw/zinc/74/93/18/789749318.db2.gz ONTDIHVGBCKFOO-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001073404062 789794272 /nfs/dbraw/zinc/79/42/72/789794272.db2.gz NNSAKYKTNUEWNB-UHFFFAOYSA-N 1 1 348.447 0.817 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)Cc3nc(C4CC4)nn3C)C2)C1 ZINC001073447232 789853912 /nfs/dbraw/zinc/85/39/12/789853912.db2.gz JWZNSRKDZWHNCO-UHFFFAOYSA-N 1 1 327.432 0.793 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3nccnc3C#N)C(C)(C)C2)C1 ZINC001069552564 789894925 /nfs/dbraw/zinc/89/49/25/789894925.db2.gz BPKYWDNOHFUMTR-ZIAGYGMSSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3nccnc3C#N)C(C)(C)C2)C1 ZINC001069552564 789894932 /nfs/dbraw/zinc/89/49/32/789894932.db2.gz BPKYWDNOHFUMTR-ZIAGYGMSSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3cnc(C#N)cn3)C(C)(C)C2)C1 ZINC001069553586 789896411 /nfs/dbraw/zinc/89/64/11/789896411.db2.gz ZWAGDAMHDIPFFV-ZIAGYGMSSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3cnc(C#N)cn3)C(C)(C)C2)C1 ZINC001069553586 789896414 /nfs/dbraw/zinc/89/64/14/789896414.db2.gz ZWAGDAMHDIPFFV-ZIAGYGMSSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069604546 789929531 /nfs/dbraw/zinc/92/95/31/789929531.db2.gz IFNMZXIRVDOLFA-UONOGXRCSA-N 1 1 342.447 0.903 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCNC(=O)C3)c2C1 ZINC001069857538 790107347 /nfs/dbraw/zinc/10/73/47/790107347.db2.gz YCGKEGJHFUJOPF-AWEZNQCLSA-N 1 1 345.447 0.807 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCNC(=O)C3)c2C1 ZINC001069857538 790107348 /nfs/dbraw/zinc/10/73/48/790107348.db2.gz YCGKEGJHFUJOPF-AWEZNQCLSA-N 1 1 345.447 0.807 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 ZINC001069860255 790112486 /nfs/dbraw/zinc/11/24/86/790112486.db2.gz LLNLCOYRXLIVLX-OAHLLOKOSA-N 1 1 330.436 0.711 20 30 ECEDMO C=CCN1CCn2ncc(CNC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c2C1 ZINC001069862040 790114778 /nfs/dbraw/zinc/11/47/78/790114778.db2.gz XFSCWRNKFOPXBG-WBVHZDCISA-N 1 1 345.447 0.364 20 30 ECEDMO C=CCN1CCn2ncc(CNC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)c2C1 ZINC001069862037 790115046 /nfs/dbraw/zinc/11/50/46/790115046.db2.gz XFSCWRNKFOPXBG-DOTOQJQBSA-N 1 1 345.447 0.364 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CC=C)CC2 ZINC001069863422 790117762 /nfs/dbraw/zinc/11/77/62/790117762.db2.gz PBQJBJONTLTTTJ-INIZCTEOSA-N 1 1 327.432 0.599 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CC=C)CC2 ZINC001069863422 790117766 /nfs/dbraw/zinc/11/77/66/790117766.db2.gz PBQJBJONTLTTTJ-INIZCTEOSA-N 1 1 327.432 0.599 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2C1 ZINC001069871361 790132889 /nfs/dbraw/zinc/13/28/89/790132889.db2.gz ZXYGYZLSRXSURJ-GJZGRUSLSA-N 1 1 329.448 0.678 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)c2C1 ZINC001069883006 790148947 /nfs/dbraw/zinc/14/89/47/790148947.db2.gz MHFCWODFABNCLY-QGZVFWFLSA-N 1 1 345.447 0.059 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)c2C1 ZINC001069883006 790148949 /nfs/dbraw/zinc/14/89/49/790148949.db2.gz MHFCWODFABNCLY-QGZVFWFLSA-N 1 1 345.447 0.059 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069898829 790166974 /nfs/dbraw/zinc/16/69/74/790166974.db2.gz ADWBWSJZNFRNIP-KFWWJZLASA-N 1 1 329.408 0.653 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069908900 790178159 /nfs/dbraw/zinc/17/81/59/790178159.db2.gz WESVATBGVHNPBE-CABCVRRESA-N 1 1 325.376 0.709 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069908900 790178160 /nfs/dbraw/zinc/17/81/60/790178160.db2.gz WESVATBGVHNPBE-CABCVRRESA-N 1 1 325.376 0.709 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069909413 790178638 /nfs/dbraw/zinc/17/86/38/790178638.db2.gz WSUQIPUKRLWMBE-CABCVRRESA-N 1 1 329.408 0.470 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069909413 790178642 /nfs/dbraw/zinc/17/86/42/790178642.db2.gz WSUQIPUKRLWMBE-CABCVRRESA-N 1 1 329.408 0.470 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069909413 790178647 /nfs/dbraw/zinc/17/86/47/790178647.db2.gz WSUQIPUKRLWMBE-CABCVRRESA-N 1 1 329.408 0.470 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001069910658 790179569 /nfs/dbraw/zinc/17/95/69/790179569.db2.gz FDOSRXCEKCBUAB-CVEARBPZSA-N 1 1 341.419 0.998 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069910193 790179597 /nfs/dbraw/zinc/17/95/97/790179597.db2.gz JEZFHOIRFCZJKU-MJBXVCDLSA-N 1 1 333.392 0.149 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069910193 790179600 /nfs/dbraw/zinc/17/96/00/790179600.db2.gz JEZFHOIRFCZJKU-MJBXVCDLSA-N 1 1 333.392 0.149 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945333 790223046 /nfs/dbraw/zinc/22/30/46/790223046.db2.gz JNWYZERVIXUEOV-ZACQAIPSSA-N 1 1 344.463 0.231 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC(C)C)CO2 ZINC001068859546 791281245 /nfs/dbraw/zinc/28/12/45/791281245.db2.gz SULUSKXQHYELGC-HNNXBMFYSA-N 1 1 335.448 0.474 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)[C@@H]1C ZINC001068861829 791290383 /nfs/dbraw/zinc/29/03/83/791290383.db2.gz NJSYHDQNQYKLDH-WCQYABFASA-N 1 1 325.376 0.377 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)C#CC2CC2)CO3)CC[N@H+]1C ZINC001068862851 791293807 /nfs/dbraw/zinc/29/38/07/791293807.db2.gz JPPPFLHPNTZIJK-FVQBIDKESA-N 1 1 345.443 0.226 20 30 ECEDMO C[N@@H+](CC(=O)N[C@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1)C1CCC1 ZINC001068905532 791386089 /nfs/dbraw/zinc/38/60/89/791386089.db2.gz KKZHGEBEZUQBOS-OAHLLOKOSA-N 1 1 345.443 0.370 20 30 ECEDMO C=CCOCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@H+](C)CCC)CO2 ZINC001068940404 791469198 /nfs/dbraw/zinc/46/91/98/791469198.db2.gz NJKMGXYTHJDHSU-AWEZNQCLSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)CO2 ZINC001069040715 791637595 /nfs/dbraw/zinc/63/75/95/791637595.db2.gz QSWHMYJEOHGEEI-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069118770 791719467 /nfs/dbraw/zinc/71/94/67/791719467.db2.gz JGCRFOAGKMBJJB-UONOGXRCSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3ccncc3C#N)C2)C1 ZINC001066675734 791969623 /nfs/dbraw/zinc/96/96/23/791969623.db2.gz RSCVZGVKIYREQT-GDBMZVCRSA-N 1 1 343.431 0.356 20 30 ECEDMO CO[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066698928 792019496 /nfs/dbraw/zinc/01/94/96/792019496.db2.gz PONCMNSTWPXZSD-GOEBONIOSA-N 1 1 343.431 0.711 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)C(=O)CSCC#N ZINC001066872965 792245336 /nfs/dbraw/zinc/24/53/36/792245336.db2.gz CBKFCCIXGBPHPI-ZIAGYGMSSA-N 1 1 340.493 0.748 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1CN(C)c1ccc(C#N)nn1 ZINC001067763495 792247251 /nfs/dbraw/zinc/24/72/51/792247251.db2.gz YIKHDMARUBWBCH-OAHLLOKOSA-N 1 1 339.403 0.981 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1CN(C)c1cncc(C#N)n1 ZINC001067781790 792277643 /nfs/dbraw/zinc/27/76/43/792277643.db2.gz DFFBNHURNLEIMJ-HNNXBMFYSA-N 1 1 339.403 0.981 20 30 ECEDMO Cc1cc(C#N)nc(NCC2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001067838566 792352477 /nfs/dbraw/zinc/35/24/77/792352477.db2.gz NVXAAMHLEGIWCK-PIMMBPRGSA-N 1 1 344.419 0.294 20 30 ECEDMO Cc1cc(C#N)nc(NCC2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001067838566 792352488 /nfs/dbraw/zinc/35/24/88/792352488.db2.gz NVXAAMHLEGIWCK-PIMMBPRGSA-N 1 1 344.419 0.294 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CC(CNc2cnc(C#N)cn2)C1 ZINC001067852659 792371515 /nfs/dbraw/zinc/37/15/15/792371515.db2.gz KAPUHMMHSRAYDI-UHFFFAOYSA-N 1 1 325.376 0.860 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067873440 792403918 /nfs/dbraw/zinc/40/39/18/792403918.db2.gz GLRXMCCAOVGEOS-UHFFFAOYSA-N 1 1 325.376 0.282 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1c[nH]c(C#N)c1 ZINC001067009343 792565194 /nfs/dbraw/zinc/56/51/94/792565194.db2.gz QIWDMMMJFQCRGE-HNNXBMFYSA-N 1 1 331.420 0.901 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)CC2(C)C)C1 ZINC001068102009 792672388 /nfs/dbraw/zinc/67/23/88/792672388.db2.gz FHTQYHMINQXNNN-LSDHHAIUSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)CC2(C)C)C1 ZINC001068102009 792672394 /nfs/dbraw/zinc/67/23/94/792672394.db2.gz FHTQYHMINQXNNN-LSDHHAIUSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3ncccc3C#N)CC2(C)C)C1 ZINC001068102469 792674476 /nfs/dbraw/zinc/67/44/76/792674476.db2.gz QBHGJHQEQUUSST-GJZGRUSLSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3ncccc3C#N)CC2(C)C)C1 ZINC001068102469 792674483 /nfs/dbraw/zinc/67/44/83/792674483.db2.gz QBHGJHQEQUUSST-GJZGRUSLSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3cnc(C#N)cn3)CC2(C)C)C1 ZINC001068102740 792676935 /nfs/dbraw/zinc/67/69/35/792676935.db2.gz WUWRFEPYQJVOCG-KBPBESRZSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3cnc(C#N)cn3)CC2(C)C)C1 ZINC001068102740 792676937 /nfs/dbraw/zinc/67/69/37/792676937.db2.gz WUWRFEPYQJVOCG-KBPBESRZSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)C1 ZINC001068174515 792785133 /nfs/dbraw/zinc/78/51/33/792785133.db2.gz BYPNPAUWMXFRKP-SYQHCUMBSA-N 1 1 326.404 0.098 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067220244 792837220 /nfs/dbraw/zinc/83/72/20/792837220.db2.gz RTLVZWKMWWBDCN-OCCSQVGLSA-N 1 1 328.420 0.513 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001067293094 792946625 /nfs/dbraw/zinc/94/66/25/792946625.db2.gz IWZAYMKQMKWRMD-IIDMSEBBSA-N 1 1 339.480 0.961 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1C ZINC001067420781 793129446 /nfs/dbraw/zinc/12/94/46/793129446.db2.gz NTYCOUKBXFKCCH-TZMCWYRMSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1C ZINC001067421667 793130277 /nfs/dbraw/zinc/13/02/77/793130277.db2.gz YVLPQAZHRPHSQF-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068395144 793202227 /nfs/dbraw/zinc/20/22/27/793202227.db2.gz QCSHVOSXICRFRY-HNNXBMFYSA-N 1 1 333.432 0.037 20 30 ECEDMO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068402577 793227606 /nfs/dbraw/zinc/22/76/06/793227606.db2.gz DFAUYTGRFOXQIL-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068403560 793229329 /nfs/dbraw/zinc/22/93/29/793229329.db2.gz PLRNDKCZDQIDGN-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001068403771 793230519 /nfs/dbraw/zinc/23/05/19/793230519.db2.gz WELLGGMKMNJECL-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001068406242 793238314 /nfs/dbraw/zinc/23/83/14/793238314.db2.gz MYCCJDRHNOKCBY-UHFFFAOYSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1cnnc(C)c1)C(C)C ZINC001267499844 837573882 /nfs/dbraw/zinc/57/38/82/837573882.db2.gz MCSYZMASLDWSCE-UHFFFAOYSA-N 1 1 331.420 0.365 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)c1cn2c(n1)CCC2)CC(=O)NCC#N ZINC001267500717 837576115 /nfs/dbraw/zinc/57/61/15/837576115.db2.gz DJUPRISXUNSYOR-UHFFFAOYSA-N 1 1 346.435 0.299 20 30 ECEDMO C=CCOCC(=O)NCC[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001267507641 837595021 /nfs/dbraw/zinc/59/50/21/837595021.db2.gz DYKMPURJQSPSBW-CABCVRRESA-N 1 1 333.436 0.796 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cncnc2C)C1 ZINC001267509802 837599704 /nfs/dbraw/zinc/59/97/04/837599704.db2.gz WWKZWKDOFFIVIC-LSDHHAIUSA-N 1 1 345.447 0.918 20 30 ECEDMO C[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)n1cccc1 ZINC001267523780 837682821 /nfs/dbraw/zinc/68/28/21/837682821.db2.gz MLZUIUMILZZXRE-HUUCEWRRSA-N 1 1 331.420 0.517 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ncnn2CC)C1 ZINC001267523724 837683230 /nfs/dbraw/zinc/68/32/30/837683230.db2.gz LPEFAPOZLQXLSF-PBHICJAKSA-N 1 1 335.452 0.953 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ncnn2CC)C1 ZINC001267523724 837683233 /nfs/dbraw/zinc/68/32/33/837683233.db2.gz LPEFAPOZLQXLSF-PBHICJAKSA-N 1 1 335.452 0.953 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001267534207 837710454 /nfs/dbraw/zinc/71/04/54/837710454.db2.gz LMDHVTMKGJAOFC-SOUVJXGZSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC001267534207 837710461 /nfs/dbraw/zinc/71/04/61/837710461.db2.gz LMDHVTMKGJAOFC-SOUVJXGZSA-N 1 1 348.447 0.816 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC=C)C1 ZINC001267535580 837712968 /nfs/dbraw/zinc/71/29/68/837712968.db2.gz BCBAOQHRPOMQKD-IRXDYDNUSA-N 1 1 346.475 0.214 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CCC)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267542261 837729462 /nfs/dbraw/zinc/72/94/62/837729462.db2.gz SKZLBTQRFKDMRE-GOEBONIOSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001267542261 837729468 /nfs/dbraw/zinc/72/94/68/837729468.db2.gz SKZLBTQRFKDMRE-GOEBONIOSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCNC(=O)CN1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267548368 837744417 /nfs/dbraw/zinc/74/44/17/837744417.db2.gz DPJQGDPZBCCVDV-CVEARBPZSA-N 1 1 334.464 0.000 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267548192 837744578 /nfs/dbraw/zinc/74/45/78/837744578.db2.gz AAFFSXZCBWXHIA-KBPBESRZSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cncn2)C1 ZINC001267548667 837746352 /nfs/dbraw/zinc/74/63/52/837746352.db2.gz KLKYLVMVICHVBB-GJZGRUSLSA-N 1 1 348.451 0.282 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)Cn2cncn2)C1 ZINC001267548667 837746367 /nfs/dbraw/zinc/74/63/67/837746367.db2.gz KLKYLVMVICHVBB-GJZGRUSLSA-N 1 1 348.451 0.282 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001267555023 837759910 /nfs/dbraw/zinc/75/99/10/837759910.db2.gz COIBNVJWDGONGT-OAHLLOKOSA-N 1 1 334.464 0.889 20 30 ECEDMO Cc1cnn(CCC(=O)NCC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267571706 837805798 /nfs/dbraw/zinc/80/57/98/837805798.db2.gz RAVDAWXKBMJESI-HNNXBMFYSA-N 1 1 346.435 0.050 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cnoc2CC)C1 ZINC001267576703 837832428 /nfs/dbraw/zinc/83/24/28/837832428.db2.gz WNDAXBKDPUMQFU-KGLIPLIRSA-N 1 1 346.431 0.817 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC001266270737 835592064 /nfs/dbraw/zinc/59/20/64/835592064.db2.gz CLBNQIBKWWNKGC-MRXNPFEDSA-N 1 1 338.456 0.346 20 30 ECEDMO C#CCC[NH+]1CCN(CCCNC(=O)[C@H]2CCCc3n[nH]nc32)CC1 ZINC001266272182 835594115 /nfs/dbraw/zinc/59/41/15/835594115.db2.gz YEGIEPFOYDFPJQ-HNNXBMFYSA-N 1 1 344.463 0.372 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC001266275339 835599172 /nfs/dbraw/zinc/59/91/72/835599172.db2.gz VUCHARDIFWPKPT-HOTGVXAUSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC001266275339 835599174 /nfs/dbraw/zinc/59/91/74/835599174.db2.gz VUCHARDIFWPKPT-HOTGVXAUSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)c2cncnc2CC)CC1 ZINC001266277705 835602815 /nfs/dbraw/zinc/60/28/15/835602815.db2.gz MXOPNMOPPYYNTJ-UHFFFAOYSA-N 1 1 329.448 0.800 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)N(C)CCO3)CC1 ZINC001266288036 835630674 /nfs/dbraw/zinc/63/06/74/835630674.db2.gz OSLHOZUACRQRPN-UHFFFAOYSA-N 1 1 342.443 0.496 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cncc(OCCOC)c2)CC1 ZINC001266295173 835641995 /nfs/dbraw/zinc/64/19/95/835641995.db2.gz XQCHWYXOVBEAMB-UHFFFAOYSA-N 1 1 346.431 0.087 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001266322234 835695518 /nfs/dbraw/zinc/69/55/18/835695518.db2.gz CTZWRNHDMMGUBE-CYBMUJFWSA-N 1 1 334.420 0.131 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001266322234 835695522 /nfs/dbraw/zinc/69/55/22/835695522.db2.gz CTZWRNHDMMGUBE-CYBMUJFWSA-N 1 1 334.420 0.131 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOCC(F)F)C1 ZINC001266324854 835701265 /nfs/dbraw/zinc/70/12/65/835701265.db2.gz FGYZDGFZZDRURH-KGLIPLIRSA-N 1 1 329.391 0.556 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOCC(F)F)C1 ZINC001266324854 835701269 /nfs/dbraw/zinc/70/12/69/835701269.db2.gz FGYZDGFZZDRURH-KGLIPLIRSA-N 1 1 329.391 0.556 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266330670 835711686 /nfs/dbraw/zinc/71/16/86/835711686.db2.gz HJMUMLHOEJKVGK-INIZCTEOSA-N 1 1 345.447 0.583 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C1(NC(C)=O)CCCC1 ZINC001266337797 835721754 /nfs/dbraw/zinc/72/17/54/835721754.db2.gz QLUHSQDWHKGMKL-ZDUSSCGKSA-N 1 1 338.452 0.174 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C1(NC(C)=O)CCCC1 ZINC001266337797 835721756 /nfs/dbraw/zinc/72/17/56/835721756.db2.gz QLUHSQDWHKGMKL-ZDUSSCGKSA-N 1 1 338.452 0.174 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001266342029 835728003 /nfs/dbraw/zinc/72/80/03/835728003.db2.gz OHJLZWUDBQWSQN-SJORKVTESA-N 1 1 348.491 0.719 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001266343931 835732134 /nfs/dbraw/zinc/73/21/34/835732134.db2.gz BAOFWNYYRGKUSC-DOTOQJQBSA-N 1 1 347.463 0.624 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001266361305 835770991 /nfs/dbraw/zinc/77/09/91/835770991.db2.gz KTCGXIZYDTVDOX-LSDHHAIUSA-N 1 1 333.436 0.542 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001266362203 835772482 /nfs/dbraw/zinc/77/24/82/835772482.db2.gz ZKNMGXJLAVFPLD-CHWSQXEVSA-N 1 1 348.472 0.576 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001266362203 835772489 /nfs/dbraw/zinc/77/24/89/835772489.db2.gz ZKNMGXJLAVFPLD-CHWSQXEVSA-N 1 1 348.472 0.576 20 30 ECEDMO Cc1nc(C(=O)N[C@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)co1 ZINC001266370771 835783869 /nfs/dbraw/zinc/78/38/69/835783869.db2.gz LEILLIUPVDDTLI-ZDUSSCGKSA-N 1 1 331.376 0.207 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2cc(C)ncn2)C1=O ZINC001266386177 835797357 /nfs/dbraw/zinc/79/73/57/835797357.db2.gz VDWRHOUAFDVNPD-HNNXBMFYSA-N 1 1 331.420 0.624 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1c(C)cc(C)nc1C ZINC001266403341 835810350 /nfs/dbraw/zinc/81/03/50/835810350.db2.gz NXZHFVZISSDZTN-UHFFFAOYSA-N 1 1 330.432 0.808 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1c(C)cc(C)nc1C ZINC001266403341 835810355 /nfs/dbraw/zinc/81/03/55/835810355.db2.gz NXZHFVZISSDZTN-UHFFFAOYSA-N 1 1 330.432 0.808 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc(-c2ccco2)on1 ZINC001266405967 835812654 /nfs/dbraw/zinc/81/26/54/835812654.db2.gz OJMAUFYATYLXIM-UHFFFAOYSA-N 1 1 344.371 0.736 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc(-c2ccco2)on1 ZINC001266405967 835812658 /nfs/dbraw/zinc/81/26/58/835812658.db2.gz OJMAUFYATYLXIM-UHFFFAOYSA-N 1 1 344.371 0.736 20 30 ECEDMO COCCCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001266451918 835854147 /nfs/dbraw/zinc/85/41/47/835854147.db2.gz IOFQVGUIDDEOEP-GJZGRUSLSA-N 1 1 338.452 0.469 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCN(C2CCC2)C1=O ZINC001266453598 835856200 /nfs/dbraw/zinc/85/62/00/835856200.db2.gz IOGIZPFAASMMCX-JKSUJKDBSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCN(C2CCC2)C1=O ZINC001266453598 835856205 /nfs/dbraw/zinc/85/62/05/835856205.db2.gz IOGIZPFAASMMCX-JKSUJKDBSA-N 1 1 335.448 0.923 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001266452733 835856299 /nfs/dbraw/zinc/85/62/99/835856299.db2.gz QKRDSDDZOBCKEN-CYBMUJFWSA-N 1 1 345.403 0.211 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)CC2(OC)CCC2)C1 ZINC001266456527 835858975 /nfs/dbraw/zinc/85/89/75/835858975.db2.gz YOCPUFQCNPQBPY-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001266455919 835859200 /nfs/dbraw/zinc/85/92/00/835859200.db2.gz NQYUHFYQRWQHKD-WBVHZDCISA-N 1 1 329.444 0.708 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(=O)COC)C1 ZINC001266459290 835861778 /nfs/dbraw/zinc/86/17/78/835861778.db2.gz NQQHLGFTHVOLIF-HNNXBMFYSA-N 1 1 325.453 0.838 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001266465897 835867133 /nfs/dbraw/zinc/86/71/33/835867133.db2.gz FACFAAUYMXXRGO-HZPDHXFCSA-N 1 1 344.463 0.819 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2n1CCC2 ZINC001266467932 835868429 /nfs/dbraw/zinc/86/84/29/835868429.db2.gz GSFLAQXIKSJFEO-KBPBESRZSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cnc2n1CCC2 ZINC001266467932 835868433 /nfs/dbraw/zinc/86/84/33/835868433.db2.gz GSFLAQXIKSJFEO-KBPBESRZSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2[nH]cnc2C)C1 ZINC001266475356 835877377 /nfs/dbraw/zinc/87/73/77/835877377.db2.gz FLBCKJCSXGZFEG-CQSZACIVSA-N 1 1 333.436 0.804 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)cc1C ZINC001266480391 835880727 /nfs/dbraw/zinc/88/07/27/835880727.db2.gz QBLJZOYLRGAILY-HNNXBMFYSA-N 1 1 343.427 0.947 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)cc1C ZINC001266480391 835880729 /nfs/dbraw/zinc/88/07/29/835880729.db2.gz QBLJZOYLRGAILY-HNNXBMFYSA-N 1 1 343.427 0.947 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001299154888 835881960 /nfs/dbraw/zinc/88/19/60/835881960.db2.gz BAEHUCXIZJIOEE-HNNXBMFYSA-N 1 1 335.448 0.379 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(COC)on1 ZINC001266485516 835884704 /nfs/dbraw/zinc/88/47/04/835884704.db2.gz DFHCDYDVZQHKTN-STQMWFEESA-N 1 1 348.403 0.153 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(COC)on1 ZINC001266485516 835884707 /nfs/dbraw/zinc/88/47/07/835884707.db2.gz DFHCDYDVZQHKTN-STQMWFEESA-N 1 1 348.403 0.153 20 30 ECEDMO N#CCSCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001266499833 835900810 /nfs/dbraw/zinc/90/08/10/835900810.db2.gz IJIIQSNRIZSQEV-CYBMUJFWSA-N 1 1 338.477 0.740 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C)o2)C1 ZINC001266500115 835901299 /nfs/dbraw/zinc/90/12/99/835901299.db2.gz MDTIPMXRBPTPNH-ZDUSSCGKSA-N 1 1 348.403 0.652 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C)o2)C1 ZINC001266500115 835901309 /nfs/dbraw/zinc/90/13/09/835901309.db2.gz MDTIPMXRBPTPNH-ZDUSSCGKSA-N 1 1 348.403 0.652 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001266505466 835906544 /nfs/dbraw/zinc/90/65/44/835906544.db2.gz KYAZGTWCWUGISX-GOEBONIOSA-N 1 1 345.447 0.930 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001266505466 835906551 /nfs/dbraw/zinc/90/65/51/835906551.db2.gz KYAZGTWCWUGISX-GOEBONIOSA-N 1 1 345.447 0.930 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CC[N@H+](CCn2c(C)csc2=O)C1 ZINC001266506570 835907838 /nfs/dbraw/zinc/90/78/38/835907838.db2.gz YHWDYPXDLXLITO-AWEZNQCLSA-N 1 1 339.461 0.859 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2cc(C3CC3)no2)C1 ZINC001266516702 835927636 /nfs/dbraw/zinc/92/76/36/835927636.db2.gz BCXOPGVNZTWODA-ZDUSSCGKSA-N 1 1 346.431 0.835 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)COC2CCCCC2)C1 ZINC001266520184 835932822 /nfs/dbraw/zinc/93/28/22/835932822.db2.gz HPRDPRNXFMCSRL-HZPDHXFCSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(CN(C)C)on2)C1 ZINC001266520299 835933040 /nfs/dbraw/zinc/93/30/40/835933040.db2.gz KDMAHYDDRQUOPP-ZDUSSCGKSA-N 1 1 349.435 0.090 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001266520421 835933141 /nfs/dbraw/zinc/93/31/41/835933141.db2.gz MTQKCZOCNSIXQK-ZDUSSCGKSA-N 1 1 332.408 0.057 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001266520421 835933145 /nfs/dbraw/zinc/93/31/45/835933145.db2.gz MTQKCZOCNSIXQK-ZDUSSCGKSA-N 1 1 332.408 0.057 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001266520421 835933147 /nfs/dbraw/zinc/93/31/47/835933147.db2.gz MTQKCZOCNSIXQK-ZDUSSCGKSA-N 1 1 332.408 0.057 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266520992 835935380 /nfs/dbraw/zinc/93/53/80/835935380.db2.gz XUXOGHOZEQTPFU-HOTGVXAUSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC001266542063 835963471 /nfs/dbraw/zinc/96/34/71/835963471.db2.gz DJHLGWLQMFUSIJ-STQMWFEESA-N 1 1 339.399 0.505 20 30 ECEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC)C2)CCOCC1 ZINC001266546296 835967511 /nfs/dbraw/zinc/96/75/11/835967511.db2.gz STDFHPQCCBNFBA-OAHLLOKOSA-N 1 1 337.464 0.934 20 30 ECEDMO CC(C)c1nn(C)cc1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266548597 835970691 /nfs/dbraw/zinc/97/06/91/835970691.db2.gz CUTDJPYSZAVKFG-ZDUSSCGKSA-N 1 1 346.435 0.235 20 30 ECEDMO CC(C)c1nn(C)cc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266548597 835970699 /nfs/dbraw/zinc/97/06/99/835970699.db2.gz CUTDJPYSZAVKFG-ZDUSSCGKSA-N 1 1 346.435 0.235 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001266551093 835976206 /nfs/dbraw/zinc/97/62/06/835976206.db2.gz LEUJMNJISKNRDW-CVEARBPZSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001266551093 835976214 /nfs/dbraw/zinc/97/62/14/835976214.db2.gz LEUJMNJISKNRDW-CVEARBPZSA-N 1 1 336.480 0.601 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1ccccc1O)C1CC1 ZINC001266584183 836014774 /nfs/dbraw/zinc/01/47/74/836014774.db2.gz WLPIAOXBDAYTBI-CYBMUJFWSA-N 1 1 329.400 0.724 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1ccccc1O)C1CC1 ZINC001266584183 836014787 /nfs/dbraw/zinc/01/47/87/836014787.db2.gz WLPIAOXBDAYTBI-CYBMUJFWSA-N 1 1 329.400 0.724 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)Cc1ccc(C)o1)C1CC1 ZINC001266587792 836019214 /nfs/dbraw/zinc/01/92/14/836019214.db2.gz BWOIIMHNXWLKHR-CQSZACIVSA-N 1 1 331.416 0.849 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)Cc1ccc(C)o1)C1CC1 ZINC001266587792 836019225 /nfs/dbraw/zinc/01/92/25/836019225.db2.gz BWOIIMHNXWLKHR-CQSZACIVSA-N 1 1 331.416 0.849 20 30 ECEDMO CC(C)C#CC(=O)NCC[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001266590103 836021101 /nfs/dbraw/zinc/02/11/01/836021101.db2.gz BQEVKFWKVSRVFS-IYBDPMFKSA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)C#CC(=O)NCC[N@@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001266590103 836021113 /nfs/dbraw/zinc/02/11/13/836021113.db2.gz BQEVKFWKVSRVFS-IYBDPMFKSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)/C=C\c1ccc[nH]1)C1CC1 ZINC001266591035 836022549 /nfs/dbraw/zinc/02/25/49/836022549.db2.gz XLAXDLSSYPFBBT-PIZKADEWSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)/C=C\c1ccc[nH]1)C1CC1 ZINC001266591035 836022560 /nfs/dbraw/zinc/02/25/60/836022560.db2.gz XLAXDLSSYPFBBT-PIZKADEWSA-N 1 1 328.416 0.746 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)C1CCC(O)CC1)C1CC1 ZINC001266591075 836022741 /nfs/dbraw/zinc/02/27/41/836022741.db2.gz YSPKPLHISVYYGR-VQCLRJIVSA-N 1 1 337.464 0.809 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)C1CCC(O)CC1)C1CC1 ZINC001266591075 836022751 /nfs/dbraw/zinc/02/27/51/836022751.db2.gz YSPKPLHISVYYGR-VQCLRJIVSA-N 1 1 337.464 0.809 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C2CC2)C1 ZINC001266593576 836024721 /nfs/dbraw/zinc/02/47/21/836024721.db2.gz OUGQOPYUQSXJCR-AVGNSLFASA-N 1 1 332.408 0.346 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1c[nH]nc1C1CC1)C1CC1 ZINC001266615662 836050394 /nfs/dbraw/zinc/05/03/94/836050394.db2.gz PKZBOISQKNOMEI-UHFFFAOYSA-N 1 1 330.392 0.121 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1c[nH]nc1C1CC1)C1CC1 ZINC001266615662 836050405 /nfs/dbraw/zinc/05/04/05/836050405.db2.gz PKZBOISQKNOMEI-UHFFFAOYSA-N 1 1 330.392 0.121 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cnco2)C1 ZINC001266660248 836097911 /nfs/dbraw/zinc/09/79/11/836097911.db2.gz VPFIDXTXGZMMMR-OLZOCXBDSA-N 1 1 331.376 0.241 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cnco2)C1 ZINC001266660248 836097921 /nfs/dbraw/zinc/09/79/21/836097921.db2.gz VPFIDXTXGZMMMR-OLZOCXBDSA-N 1 1 331.376 0.241 20 30 ECEDMO CN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001266716667 836191192 /nfs/dbraw/zinc/19/11/92/836191192.db2.gz VXRBYQIWUXGLLY-CQSZACIVSA-N 1 1 332.379 0.724 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001266718801 836195025 /nfs/dbraw/zinc/19/50/25/836195025.db2.gz FLFHGCGPCCUXJA-RWMBFGLXSA-N 1 1 334.424 0.468 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001266718801 836195035 /nfs/dbraw/zinc/19/50/35/836195035.db2.gz FLFHGCGPCCUXJA-RWMBFGLXSA-N 1 1 334.424 0.468 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CCn2cccn2)C1 ZINC001266740102 836222760 /nfs/dbraw/zinc/22/27/60/836222760.db2.gz JRYZEJSAUASPQQ-HZPDHXFCSA-N 1 1 345.447 0.239 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001266742667 836227035 /nfs/dbraw/zinc/22/70/35/836227035.db2.gz DOXFWTRJTKCQLC-HUUCEWRRSA-N 1 1 333.436 0.796 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001266744155 836229815 /nfs/dbraw/zinc/22/98/15/836229815.db2.gz WHUGGTZEEDROEL-INIZCTEOSA-N 1 1 333.432 0.916 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001266753054 836245295 /nfs/dbraw/zinc/24/52/95/836245295.db2.gz ZUIWMUSODYEOPX-HUUCEWRRSA-N 1 1 345.447 0.308 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001266753054 836245306 /nfs/dbraw/zinc/24/53/06/836245306.db2.gz ZUIWMUSODYEOPX-HUUCEWRRSA-N 1 1 345.447 0.308 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001266753054 836245320 /nfs/dbraw/zinc/24/53/20/836245320.db2.gz ZUIWMUSODYEOPX-HUUCEWRRSA-N 1 1 345.447 0.308 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001266756066 836251158 /nfs/dbraw/zinc/25/11/58/836251158.db2.gz ZNBJPOGSYIDQGJ-INIZCTEOSA-N 1 1 336.480 0.555 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001266755975 836252074 /nfs/dbraw/zinc/25/20/74/836252074.db2.gz XFPLKQYKANELQD-OAHLLOKOSA-N 1 1 331.416 0.477 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1cc(C)on1 ZINC001266837242 836361401 /nfs/dbraw/zinc/36/14/01/836361401.db2.gz LPVHLKGAKKXMQM-OAHLLOKOSA-N 1 1 334.420 0.798 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cc(C)on1 ZINC001266837242 836361409 /nfs/dbraw/zinc/36/14/09/836361409.db2.gz LPVHLKGAKKXMQM-OAHLLOKOSA-N 1 1 334.420 0.798 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001266841876 836367490 /nfs/dbraw/zinc/36/74/90/836367490.db2.gz DKIGPOKDUWYXJJ-RDJZCZTQSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001266841876 836367496 /nfs/dbraw/zinc/36/74/96/836367496.db2.gz DKIGPOKDUWYXJJ-RDJZCZTQSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ncccc2C)C1 ZINC001266895232 836446460 /nfs/dbraw/zinc/44/64/60/836446460.db2.gz ZJQMKDPCLGZYMO-CVEARBPZSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001266902901 836458087 /nfs/dbraw/zinc/45/80/87/836458087.db2.gz HWUYXEFYDFPJGB-DPHFHPJJSA-N 1 1 343.471 0.997 20 30 ECEDMO C[C@@H](CNC(=O)C#CC1CC1)[NH2+]Cc1nnnn1C1CCOCC1 ZINC001266937919 836496396 /nfs/dbraw/zinc/49/63/96/836496396.db2.gz QIAMEJGXSJPPDE-LBPRGKRZSA-N 1 1 332.408 0.032 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1n[nH]c2ccccc21 ZINC001266988881 836570303 /nfs/dbraw/zinc/57/03/03/836570303.db2.gz JBUXJFGMBLJDMA-VXGBXAGGSA-N 1 1 327.388 0.409 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001267009382 836607437 /nfs/dbraw/zinc/60/74/37/836607437.db2.gz AFFCEYFQFJDBPV-NSHDSACASA-N 1 1 328.376 0.064 20 30 ECEDMO CCN(C)C(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001267099822 836768523 /nfs/dbraw/zinc/76/85/23/836768523.db2.gz DBOKXXZATMJNSE-CYBMUJFWSA-N 1 1 326.466 0.644 20 30 ECEDMO CCN(C)C(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001267099822 836768532 /nfs/dbraw/zinc/76/85/32/836768532.db2.gz DBOKXXZATMJNSE-CYBMUJFWSA-N 1 1 326.466 0.644 20 30 ECEDMO CCN(C)C(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001267099824 836769986 /nfs/dbraw/zinc/76/99/86/836769986.db2.gz DBOKXXZATMJNSE-ZDUSSCGKSA-N 1 1 326.466 0.644 20 30 ECEDMO CCN(C)C(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001267099824 836769992 /nfs/dbraw/zinc/76/99/92/836769992.db2.gz DBOKXXZATMJNSE-ZDUSSCGKSA-N 1 1 326.466 0.644 20 30 ECEDMO CCc1ocnc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267102547 836775760 /nfs/dbraw/zinc/77/57/60/836775760.db2.gz HUZGYNUBSQPZPN-LBPRGKRZSA-N 1 1 333.392 0.413 20 30 ECEDMO CCc1ocnc1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267102547 836775768 /nfs/dbraw/zinc/77/57/68/836775768.db2.gz HUZGYNUBSQPZPN-LBPRGKRZSA-N 1 1 333.392 0.413 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267103862 836778839 /nfs/dbraw/zinc/77/88/39/836778839.db2.gz IAHATAGQGJNYQO-HNNXBMFYSA-N 1 1 347.463 0.740 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267103862 836778843 /nfs/dbraw/zinc/77/88/43/836778843.db2.gz IAHATAGQGJNYQO-HNNXBMFYSA-N 1 1 347.463 0.740 20 30 ECEDMO C=CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001267104006 836780224 /nfs/dbraw/zinc/78/02/24/836780224.db2.gz KCULZFOWDPDTBI-AWEZNQCLSA-N 1 1 330.450 0.156 20 30 ECEDMO C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001267104006 836780228 /nfs/dbraw/zinc/78/02/28/836780228.db2.gz KCULZFOWDPDTBI-AWEZNQCLSA-N 1 1 330.450 0.156 20 30 ECEDMO C[N@@H+](C[C@@H](O)Cn1cccn1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001267104561 836780966 /nfs/dbraw/zinc/78/09/66/836780966.db2.gz CKUJVFGAMOEERZ-DLBZAZTESA-N 1 1 330.432 0.580 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2cscn2)C1 ZINC001267112800 836803115 /nfs/dbraw/zinc/80/31/15/836803115.db2.gz XOQAMELLUWHFMK-UKRRQHHQSA-N 1 1 348.472 0.746 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC001267115727 836809820 /nfs/dbraw/zinc/80/98/20/836809820.db2.gz YXBSCADSBLXGRU-INIZCTEOSA-N 1 1 346.406 0.931 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC001267115727 836809829 /nfs/dbraw/zinc/80/98/29/836809829.db2.gz YXBSCADSBLXGRU-INIZCTEOSA-N 1 1 346.406 0.931 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)C1=COCCO1 ZINC001267162329 836878881 /nfs/dbraw/zinc/87/88/81/836878881.db2.gz UYLKERCLKHEAQU-CQSZACIVSA-N 1 1 337.420 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001267172109 836907122 /nfs/dbraw/zinc/90/71/22/836907122.db2.gz WAMZFJJZMZDVRO-ZFWWWQNUSA-N 1 1 329.404 0.360 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001267198737 836966105 /nfs/dbraw/zinc/96/61/05/836966105.db2.gz ABANGVZAIZTGIJ-ZDUSSCGKSA-N 1 1 345.447 0.580 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001267198737 836966118 /nfs/dbraw/zinc/96/61/18/836966118.db2.gz ABANGVZAIZTGIJ-ZDUSSCGKSA-N 1 1 345.447 0.580 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001267199747 836970332 /nfs/dbraw/zinc/97/03/32/836970332.db2.gz VKCSPFNROOBTEK-LLVKDONJSA-N 1 1 342.403 0.066 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001267199747 836970335 /nfs/dbraw/zinc/97/03/35/836970335.db2.gz VKCSPFNROOBTEK-LLVKDONJSA-N 1 1 342.403 0.066 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccc2n[nH]cc21 ZINC001267210778 836997449 /nfs/dbraw/zinc/99/74/49/836997449.db2.gz MZPSAADMXFRPMF-LBPRGKRZSA-N 1 1 329.404 0.915 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccc2n[nH]cc21 ZINC001267210778 836997460 /nfs/dbraw/zinc/99/74/60/836997460.db2.gz MZPSAADMXFRPMF-LBPRGKRZSA-N 1 1 329.404 0.915 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(F)c(OC)c1 ZINC001267219783 837011662 /nfs/dbraw/zinc/01/16/62/837011662.db2.gz XELOZBYBCRETSR-GFCCVEGCSA-N 1 1 335.379 0.634 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(F)c(OC)c1 ZINC001267219783 837011673 /nfs/dbraw/zinc/01/16/73/837011673.db2.gz XELOZBYBCRETSR-GFCCVEGCSA-N 1 1 335.379 0.634 20 30 ECEDMO CNC(=O)C1(C(=O)NCC[N@@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC001267221484 837014271 /nfs/dbraw/zinc/01/42/71/837014271.db2.gz KNUINAIENUMQSD-UHFFFAOYSA-N 1 1 344.415 0.663 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1ccccc1 ZINC001267234340 837041656 /nfs/dbraw/zinc/04/16/56/837041656.db2.gz BQRLLUYRXURWOJ-UHFFFAOYSA-N 1 1 332.404 0.750 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1ccccc1 ZINC001267234340 837041663 /nfs/dbraw/zinc/04/16/63/837041663.db2.gz BQRLLUYRXURWOJ-UHFFFAOYSA-N 1 1 332.404 0.750 20 30 ECEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001267237316 837043663 /nfs/dbraw/zinc/04/36/63/837043663.db2.gz HMGLIFAXVLFTOJ-GOSISDBHSA-N 1 1 347.434 0.946 20 30 ECEDMO CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001267237316 837043670 /nfs/dbraw/zinc/04/36/70/837043670.db2.gz HMGLIFAXVLFTOJ-GOSISDBHSA-N 1 1 347.434 0.946 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2cccc(=O)[nH]2)C1=O ZINC001267237170 837043828 /nfs/dbraw/zinc/04/38/28/837043828.db2.gz CCGLMKREJVUBQE-AWEZNQCLSA-N 1 1 332.404 0.626 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1c(C)[nH]nc1Cl ZINC001267242743 837052200 /nfs/dbraw/zinc/05/22/00/837052200.db2.gz WQFFFAIOQOUBHP-LLVKDONJSA-N 1 1 339.827 0.561 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1c(C)[nH]nc1Cl ZINC001267242743 837052213 /nfs/dbraw/zinc/05/22/13/837052213.db2.gz WQFFFAIOQOUBHP-LLVKDONJSA-N 1 1 339.827 0.561 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1c(C)noc1C(F)F ZINC001267245711 837059117 /nfs/dbraw/zinc/05/91/17/837059117.db2.gz KTBVVCIQDCBFLG-UHFFFAOYSA-N 1 1 342.346 0.722 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1c(C)noc1C(F)F ZINC001267245711 837059125 /nfs/dbraw/zinc/05/91/25/837059125.db2.gz KTBVVCIQDCBFLG-UHFFFAOYSA-N 1 1 342.346 0.722 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001267262960 837095413 /nfs/dbraw/zinc/09/54/13/837095413.db2.gz GWBCCPQYNUBDLT-SWLSCSKDSA-N 1 1 332.379 0.553 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001267262960 837095426 /nfs/dbraw/zinc/09/54/26/837095426.db2.gz GWBCCPQYNUBDLT-SWLSCSKDSA-N 1 1 332.379 0.553 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001267270866 837111196 /nfs/dbraw/zinc/11/11/96/837111196.db2.gz NPERQWKKBCRFCU-GFCCVEGCSA-N 1 1 335.408 0.305 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001267270866 837111202 /nfs/dbraw/zinc/11/12/02/837111202.db2.gz NPERQWKKBCRFCU-GFCCVEGCSA-N 1 1 335.408 0.305 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1nccn1C ZINC001267275483 837118532 /nfs/dbraw/zinc/11/85/32/837118532.db2.gz GLEWRBNHVQKJEN-LSDHHAIUSA-N 1 1 347.463 0.624 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1cncs1 ZINC001267276643 837121055 /nfs/dbraw/zinc/12/10/55/837121055.db2.gz SLKGMIIATLPVJN-KGLIPLIRSA-N 1 1 348.472 0.794 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1cncs1 ZINC001267276643 837121059 /nfs/dbraw/zinc/12/10/59/837121059.db2.gz SLKGMIIATLPVJN-KGLIPLIRSA-N 1 1 348.472 0.794 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267278842 837124012 /nfs/dbraw/zinc/12/40/12/837124012.db2.gz RRLVIUCWMPGTSJ-KGLIPLIRSA-N 1 1 348.447 0.633 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001267285896 837136994 /nfs/dbraw/zinc/13/69/94/837136994.db2.gz QJQUHWCCKMLPQY-KBPBESRZSA-N 1 1 331.420 0.527 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2c(F)cccc2OC)C1 ZINC001267295096 837151262 /nfs/dbraw/zinc/15/12/62/837151262.db2.gz QSXVTSAIJWSNKS-ZDUSSCGKSA-N 1 1 347.390 0.635 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001267297613 837155199 /nfs/dbraw/zinc/15/51/99/837155199.db2.gz DKOLWYPNUONXEC-JKSUJKDBSA-N 1 1 347.463 0.883 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)c2cnn3cccnc23)C1 ZINC001267297913 837159225 /nfs/dbraw/zinc/15/92/25/837159225.db2.gz IAMAHRUSOFGJQI-CQSZACIVSA-N 1 1 327.388 0.431 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2coc(C3CC3)n2)C1 ZINC001267302956 837169304 /nfs/dbraw/zinc/16/93/04/837169304.db2.gz JBRTXZQYRJOOKB-QWHCGFSZSA-N 1 1 344.415 0.742 20 30 ECEDMO COc1cc(C)ccc1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267306697 837177237 /nfs/dbraw/zinc/17/72/37/837177237.db2.gz KLHYFIOTBFUWCW-CQSZACIVSA-N 1 1 344.415 0.695 20 30 ECEDMO COc1cc(C)ccc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267306697 837177241 /nfs/dbraw/zinc/17/72/41/837177241.db2.gz KLHYFIOTBFUWCW-CQSZACIVSA-N 1 1 344.415 0.695 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001267308033 837183493 /nfs/dbraw/zinc/18/34/93/837183493.db2.gz YOBYNGJHSBPODN-CQSZACIVSA-N 1 1 346.431 0.696 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001267310602 837186074 /nfs/dbraw/zinc/18/60/74/837186074.db2.gz YXCQBCMZWQIDGG-KGLIPLIRSA-N 1 1 340.468 0.723 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1sccc1F)CC(=O)NCC#N ZINC001267313033 837187774 /nfs/dbraw/zinc/18/77/74/837187774.db2.gz WPRBLIJRLPQUOQ-UHFFFAOYSA-N 1 1 326.397 0.969 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1sccc1F)CC(=O)NCC#N ZINC001267313033 837187780 /nfs/dbraw/zinc/18/77/80/837187780.db2.gz WPRBLIJRLPQUOQ-UHFFFAOYSA-N 1 1 326.397 0.969 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)c1ccc(=O)n(CC)n1 ZINC001267318245 837195292 /nfs/dbraw/zinc/19/52/92/837195292.db2.gz HQWHPWRVTCKKKT-UHFFFAOYSA-N 1 1 334.420 0.355 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1cncc(C#C)c1)C(C)C ZINC001267319371 837196521 /nfs/dbraw/zinc/19/65/21/837196521.db2.gz LOLHBMMBEOGMBK-UHFFFAOYSA-N 1 1 340.427 0.643 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCNC(=O)C#CC(C)C)C1CC1 ZINC001267324989 837203677 /nfs/dbraw/zinc/20/36/77/837203677.db2.gz ALOJBFZPXZZCQP-CQSZACIVSA-N 1 1 348.447 0.627 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCNC(=O)C#CC(C)C)C1CC1 ZINC001267324989 837203679 /nfs/dbraw/zinc/20/36/79/837203679.db2.gz ALOJBFZPXZZCQP-CQSZACIVSA-N 1 1 348.447 0.627 20 30 ECEDMO C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)C1CC1 ZINC001267330926 837212475 /nfs/dbraw/zinc/21/24/75/837212475.db2.gz SEEZNPRNKYJEPJ-HNNXBMFYSA-N 1 1 331.420 0.912 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)[C@H](C)c1cccnc1)C1CC1 ZINC001267336041 837217839 /nfs/dbraw/zinc/21/78/39/837217839.db2.gz GWTVODSFMVNALL-CQSZACIVSA-N 1 1 328.416 0.515 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)[C@H](C)c1cccnc1)C1CC1 ZINC001267336041 837217846 /nfs/dbraw/zinc/21/78/46/837217846.db2.gz GWTVODSFMVNALL-CQSZACIVSA-N 1 1 328.416 0.515 20 30 ECEDMO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1C(=O)CNC1=O)C2 ZINC001279237426 837237887 /nfs/dbraw/zinc/23/78/87/837237887.db2.gz WZUAYUJLOSQKQI-QDMKHBRRSA-N 1 1 348.447 0.864 20 30 ECEDMO COCC#CC[NH2+]CCN(C)C(=O)c1ccn(-c2ccncc2)n1 ZINC001267401641 837342526 /nfs/dbraw/zinc/34/25/26/837342526.db2.gz QLSIFEJZXQTDEZ-UHFFFAOYSA-N 1 1 327.388 0.579 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1cccc2c[nH]nc21 ZINC001267411610 837368177 /nfs/dbraw/zinc/36/81/77/837368177.db2.gz HLIKIEWHJNCRGS-GFCCVEGCSA-N 1 1 329.404 0.915 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC001267580002 837840685 /nfs/dbraw/zinc/84/06/85/837840685.db2.gz PCKKJKBQPVNYTH-KGLIPLIRSA-N 1 1 346.406 0.753 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC001267580497 837841291 /nfs/dbraw/zinc/84/12/91/837841291.db2.gz XPLRJAVPMCXVRF-HUUCEWRRSA-N 1 1 330.432 0.855 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC001267582683 837848885 /nfs/dbraw/zinc/84/88/85/837848885.db2.gz YRRMLQNPTKNPBU-LPHOPBHVSA-N 1 1 347.459 0.993 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001267586470 837864482 /nfs/dbraw/zinc/86/44/82/837864482.db2.gz SFDLHRIJLWVJMZ-LBPRGKRZSA-N 1 1 339.417 0.344 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)c2ccco2)C1 ZINC001267587726 837868953 /nfs/dbraw/zinc/86/89/53/837868953.db2.gz BYCJAXIVAXHENN-CABCVRRESA-N 1 1 331.416 0.913 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001267591816 837884086 /nfs/dbraw/zinc/88/40/86/837884086.db2.gz JPWAHCHPYMTSEP-CQSZACIVSA-N 1 1 341.415 0.748 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2cnc(OC)nc2)C1 ZINC001267594859 837896414 /nfs/dbraw/zinc/89/64/14/837896414.db2.gz NIHDRXAPYXTVSG-CQSZACIVSA-N 1 1 332.404 0.577 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CCNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001267594289 837896887 /nfs/dbraw/zinc/89/68/87/837896887.db2.gz CQIFHYRKVMIYJO-ZDUSSCGKSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CC1CCN(C(=O)CCCOC)CC1 ZINC001267597515 837903832 /nfs/dbraw/zinc/90/38/32/837903832.db2.gz CMARKIOENVWUDU-OAHLLOKOSA-N 1 1 337.464 0.721 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C[N@@H+](C)Cc2cn(C)nn2)CC1 ZINC001267598857 837910253 /nfs/dbraw/zinc/91/02/53/837910253.db2.gz UIFWOMRDTITTCK-QGZVFWFLSA-N 1 1 335.452 0.813 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C[N@H+](C)Cc2cn(C)nn2)CC1 ZINC001267598857 837910261 /nfs/dbraw/zinc/91/02/61/837910261.db2.gz UIFWOMRDTITTCK-QGZVFWFLSA-N 1 1 335.452 0.813 20 30 ECEDMO CCOCCC(=O)N(C)CC[NH+]1CCN(CC#CCOC)CC1 ZINC001267605770 837943541 /nfs/dbraw/zinc/94/35/41/837943541.db2.gz BCAOBIKOJFTVTJ-UHFFFAOYSA-N 1 1 325.453 0.139 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CC[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC001267605872 837944500 /nfs/dbraw/zinc/94/45/00/837944500.db2.gz GDIQBTOQPJVLDO-SFHVURJKSA-N 1 1 349.479 0.323 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCc2ccoc2)C1 ZINC001267610527 837974543 /nfs/dbraw/zinc/97/45/43/837974543.db2.gz FCHABMKMCWYHOU-GDBMZVCRSA-N 1 1 331.416 0.931 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCc2ccoc2)C1 ZINC001267610527 837974553 /nfs/dbraw/zinc/97/45/53/837974553.db2.gz FCHABMKMCWYHOU-GDBMZVCRSA-N 1 1 331.416 0.931 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267614740 837991872 /nfs/dbraw/zinc/99/18/72/837991872.db2.gz QQRJVXOFNGQHQQ-LSDHHAIUSA-N 1 1 342.461 0.042 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267614740 837991876 /nfs/dbraw/zinc/99/18/76/837991876.db2.gz QQRJVXOFNGQHQQ-LSDHHAIUSA-N 1 1 342.461 0.042 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)CNC(=O)C(C)(C)C)CC1 ZINC001267617928 838045949 /nfs/dbraw/zinc/04/59/49/838045949.db2.gz IEOLTLBLFYNHLZ-UHFFFAOYSA-N 1 1 336.480 0.248 20 30 ECEDMO CC#CCN1CC[NH+](CCN(C)C(=O)CNC(=O)C(C)(C)C)CC1 ZINC001267617928 838045960 /nfs/dbraw/zinc/04/59/60/838045960.db2.gz IEOLTLBLFYNHLZ-UHFFFAOYSA-N 1 1 336.480 0.248 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)COCCc2ccccc2)CC1 ZINC001267618061 838046276 /nfs/dbraw/zinc/04/62/76/838046276.db2.gz JUSXQYAWFPJWHD-UHFFFAOYSA-N 1 1 343.471 0.955 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)COCCc2ccccc2)CC1 ZINC001267618061 838046278 /nfs/dbraw/zinc/04/62/78/838046278.db2.gz JUSXQYAWFPJWHD-UHFFFAOYSA-N 1 1 343.471 0.955 20 30 ECEDMO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001267619953 838055996 /nfs/dbraw/zinc/05/59/96/838055996.db2.gz LIMAAKFKCBJRNI-CQSZACIVSA-N 1 1 336.436 0.865 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001267624485 838071323 /nfs/dbraw/zinc/07/13/23/838071323.db2.gz GEGYFEOKHVKBAF-YPMHNXCESA-N 1 1 335.408 0.192 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001267624485 838071336 /nfs/dbraw/zinc/07/13/36/838071336.db2.gz GEGYFEOKHVKBAF-YPMHNXCESA-N 1 1 335.408 0.192 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001267632697 838095230 /nfs/dbraw/zinc/09/52/30/838095230.db2.gz PHYUWBORHDFDLY-OCCSQVGLSA-N 1 1 331.420 0.250 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001267632697 838095240 /nfs/dbraw/zinc/09/52/40/838095240.db2.gz PHYUWBORHDFDLY-OCCSQVGLSA-N 1 1 331.420 0.250 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001267632697 838095253 /nfs/dbraw/zinc/09/52/53/838095253.db2.gz PHYUWBORHDFDLY-OCCSQVGLSA-N 1 1 331.420 0.250 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC001267638615 838117011 /nfs/dbraw/zinc/11/70/11/838117011.db2.gz OTEMJRYRUDXGOL-HUUCEWRRSA-N 1 1 330.432 0.557 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC001267638614 838117157 /nfs/dbraw/zinc/11/71/57/838117157.db2.gz OTEMJRYRUDXGOL-GJZGRUSLSA-N 1 1 330.432 0.557 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001267639177 838117942 /nfs/dbraw/zinc/11/79/42/838117942.db2.gz ZPXQDOMAFHKHEV-DOTOQJQBSA-N 1 1 342.443 0.542 20 30 ECEDMO C#CCOCCC(=O)NC1C[NH+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC001267644769 838128456 /nfs/dbraw/zinc/12/84/56/838128456.db2.gz DVIGXNNZLDRZNL-CRAIPNDOSA-N 1 1 330.428 0.991 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2ccncn2)C1 ZINC001267653072 838156385 /nfs/dbraw/zinc/15/63/85/838156385.db2.gz KFWVCWCKUGHAGH-INIZCTEOSA-N 1 1 330.432 0.839 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001267657887 838169799 /nfs/dbraw/zinc/16/97/99/838169799.db2.gz HJEIIQYRWPTLGP-YOEHRIQHSA-N 1 1 325.412 0.927 20 30 ECEDMO C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001267657781 838172189 /nfs/dbraw/zinc/17/21/89/838172189.db2.gz FABLQMOXNGUUGZ-CQSZACIVSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001267657781 838172194 /nfs/dbraw/zinc/17/21/94/838172194.db2.gz FABLQMOXNGUUGZ-CQSZACIVSA-N 1 1 326.462 0.757 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001267665892 838189756 /nfs/dbraw/zinc/18/97/56/838189756.db2.gz NHFWHJMTVRRJCI-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001267665417 838190424 /nfs/dbraw/zinc/19/04/24/838190424.db2.gz HJEXNTKTJIZPLX-OAHLLOKOSA-N 1 1 333.436 0.274 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2csnn2)C1 ZINC001267671800 838206338 /nfs/dbraw/zinc/20/63/38/838206338.db2.gz WVBOHCXMKWQBFJ-NWDGAFQWSA-N 1 1 335.433 0.070 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001267685971 838253133 /nfs/dbraw/zinc/25/31/33/838253133.db2.gz MIRJONZECOBVIN-UHFFFAOYSA-N 1 1 343.427 0.827 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001267689990 838258080 /nfs/dbraw/zinc/25/80/80/838258080.db2.gz KCOHYBGOYMRBHG-BZUAXINKSA-N 1 1 343.427 0.913 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)C(C)(F)F)CC1 ZINC001267714228 838339726 /nfs/dbraw/zinc/33/97/26/838339726.db2.gz AQMGWJWPNREAIQ-LBPRGKRZSA-N 1 1 329.391 0.950 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001267719827 838373206 /nfs/dbraw/zinc/37/32/06/838373206.db2.gz PRIIDXGNBRDPGX-QQYFDESBSA-N 1 1 348.447 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001267719827 838373211 /nfs/dbraw/zinc/37/32/11/838373211.db2.gz PRIIDXGNBRDPGX-QQYFDESBSA-N 1 1 348.447 0.934 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC001267727765 838408680 /nfs/dbraw/zinc/40/86/80/838408680.db2.gz MWMNDKCNPFLVJF-KBPBESRZSA-N 1 1 333.436 0.532 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC001267727765 838408685 /nfs/dbraw/zinc/40/86/85/838408685.db2.gz MWMNDKCNPFLVJF-KBPBESRZSA-N 1 1 333.436 0.532 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001267732740 838421394 /nfs/dbraw/zinc/42/13/94/838421394.db2.gz MIGSHSDJGRBQEH-JSGCOSHPSA-N 1 1 328.416 0.834 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001267732740 838421397 /nfs/dbraw/zinc/42/13/97/838421397.db2.gz MIGSHSDJGRBQEH-JSGCOSHPSA-N 1 1 328.416 0.834 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001267733835 838424776 /nfs/dbraw/zinc/42/47/76/838424776.db2.gz GFCDOEXAOJBFFK-AWEZNQCLSA-N 1 1 344.419 0.748 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001267744817 838448148 /nfs/dbraw/zinc/44/81/48/838448148.db2.gz ZXAMHDLIEVDNHY-VXGBXAGGSA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001267744817 838448150 /nfs/dbraw/zinc/44/81/50/838448150.db2.gz ZXAMHDLIEVDNHY-VXGBXAGGSA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncn2C)C1 ZINC001267745150 838450051 /nfs/dbraw/zinc/45/00/51/838450051.db2.gz UZBMACFCAWVWPS-CQSZACIVSA-N 1 1 331.420 0.425 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncn2C)C1 ZINC001267745150 838450053 /nfs/dbraw/zinc/45/00/53/838450053.db2.gz UZBMACFCAWVWPS-CQSZACIVSA-N 1 1 331.420 0.425 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC001267758524 838483450 /nfs/dbraw/zinc/48/34/50/838483450.db2.gz KRSGDJJPHVHGGR-OAHLLOKOSA-N 1 1 345.447 0.767 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC001267758524 838483454 /nfs/dbraw/zinc/48/34/54/838483454.db2.gz KRSGDJJPHVHGGR-OAHLLOKOSA-N 1 1 345.447 0.767 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C)C1 ZINC001267761649 838490746 /nfs/dbraw/zinc/49/07/46/838490746.db2.gz JMKWIQLLKUFBRG-KBPBESRZSA-N 1 1 331.420 0.013 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C)C1 ZINC001267761649 838490750 /nfs/dbraw/zinc/49/07/50/838490750.db2.gz JMKWIQLLKUFBRG-KBPBESRZSA-N 1 1 331.420 0.013 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(C)cc2C)C1 ZINC001267761652 838491128 /nfs/dbraw/zinc/49/11/28/838491128.db2.gz JMKWIQLLKUFBRG-ZIAGYGMSSA-N 1 1 331.420 0.013 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2nn(C)cc2C)C1 ZINC001267761652 838491129 /nfs/dbraw/zinc/49/11/29/838491129.db2.gz JMKWIQLLKUFBRG-ZIAGYGMSSA-N 1 1 331.420 0.013 20 30 ECEDMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267761993 838491132 /nfs/dbraw/zinc/49/11/32/838491132.db2.gz MRGKOERPKHOOCA-HNNXBMFYSA-N 1 1 343.493 0.508 20 30 ECEDMO C#CCCCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC001267762922 838492435 /nfs/dbraw/zinc/49/24/35/838492435.db2.gz URMFWLHLPYJTQB-MRXNPFEDSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC001267762922 838492437 /nfs/dbraw/zinc/49/24/37/838492437.db2.gz URMFWLHLPYJTQB-MRXNPFEDSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CCF)c2)C1 ZINC001267768825 838509074 /nfs/dbraw/zinc/50/90/74/838509074.db2.gz QISOJBSMYDXGCU-UKRRQHHQSA-N 1 1 349.410 0.137 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CCF)c2)C1 ZINC001267768825 838509084 /nfs/dbraw/zinc/50/90/84/838509084.db2.gz QISOJBSMYDXGCU-UKRRQHHQSA-N 1 1 349.410 0.137 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001267769270 838513435 /nfs/dbraw/zinc/51/34/35/838513435.db2.gz VTFGCNQARYNSJB-CVEARBPZSA-N 1 1 342.443 0.983 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001267769270 838513437 /nfs/dbraw/zinc/51/34/37/838513437.db2.gz VTFGCNQARYNSJB-CVEARBPZSA-N 1 1 342.443 0.983 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2)C1 ZINC001267778092 838544924 /nfs/dbraw/zinc/54/49/24/838544924.db2.gz WWJWYXPJWOPUFU-HZPDHXFCSA-N 1 1 343.427 0.736 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2)C1 ZINC001267778092 838544928 /nfs/dbraw/zinc/54/49/28/838544928.db2.gz WWJWYXPJWOPUFU-HZPDHXFCSA-N 1 1 343.427 0.736 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)CCn2cccn2)C1 ZINC001267779937 838552649 /nfs/dbraw/zinc/55/26/49/838552649.db2.gz HSIGGEDZICPPJH-JKSUJKDBSA-N 1 1 347.463 0.887 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CCn2cccn2)C1 ZINC001267779937 838552654 /nfs/dbraw/zinc/55/26/54/838552654.db2.gz HSIGGEDZICPPJH-JKSUJKDBSA-N 1 1 347.463 0.887 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2cccs2)C1 ZINC001267780663 838554733 /nfs/dbraw/zinc/55/47/33/838554733.db2.gz SGIFXNBDJBGFIR-CQSZACIVSA-N 1 1 333.457 0.963 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2cccs2)C1 ZINC001267780663 838554743 /nfs/dbraw/zinc/55/47/43/838554743.db2.gz SGIFXNBDJBGFIR-CQSZACIVSA-N 1 1 333.457 0.963 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267783262 838556722 /nfs/dbraw/zinc/55/67/22/838556722.db2.gz HIUWXGSHBUFZDN-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267783262 838556731 /nfs/dbraw/zinc/55/67/31/838556731.db2.gz HIUWXGSHBUFZDN-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C#C)cc2)C1 ZINC001267788138 838565163 /nfs/dbraw/zinc/56/51/63/838565163.db2.gz QRBKADMHZKLCRA-GOSISDBHSA-N 1 1 337.423 0.954 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C#C)cc2)C1 ZINC001267788138 838565170 /nfs/dbraw/zinc/56/51/70/838565170.db2.gz QRBKADMHZKLCRA-GOSISDBHSA-N 1 1 337.423 0.954 20 30 ECEDMO C=CCOCC(=O)N1CC(n2cc(C[NH2+]CCC(F)(F)F)nn2)C1 ZINC001105191703 838742877 /nfs/dbraw/zinc/74/28/77/838742877.db2.gz AXFRKUHCBKYYNE-UHFFFAOYSA-N 1 1 347.341 0.906 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3nnn(C)c3C)C2)nn1 ZINC001105200014 838758511 /nfs/dbraw/zinc/75/85/11/838758511.db2.gz TZESSMJNLYIHRK-UHFFFAOYSA-N 1 1 330.396 0.078 20 30 ECEDMO C#CCNC(=O)CN1CCC(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001267944827 838834095 /nfs/dbraw/zinc/83/40/95/838834095.db2.gz NGCUTKYITNRQJA-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCNC(=O)CN1CCC(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001267944827 838834107 /nfs/dbraw/zinc/83/41/07/838834107.db2.gz NGCUTKYITNRQJA-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO C=CCCOCC(=O)N1CCC2(CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001267974761 838912063 /nfs/dbraw/zinc/91/20/63/838912063.db2.gz HCLXUUIWZMOGEA-UHFFFAOYSA-N 1 1 348.447 0.533 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337026065 295693516 /nfs/dbraw/zinc/69/35/16/295693516.db2.gz BCWBUKDXXGSEGV-GJZGRUSLSA-N 1 1 344.481 0.367 20 30 ECEDMO C=C(C)C[N@H+](CC)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000072553351 216273965 /nfs/dbraw/zinc/27/39/65/216273965.db2.gz CMYUBEQUESUEEP-UHFFFAOYSA-N 1 1 339.461 0.891 20 30 ECEDMO Cc1nonc1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077919094 781942989 /nfs/dbraw/zinc/94/29/89/781942989.db2.gz SVYRYBIQGDUUMX-HZPDHXFCSA-N 1 1 341.371 0.154 20 30 ECEDMO Cc1nonc1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077919094 781943003 /nfs/dbraw/zinc/94/30/03/781943003.db2.gz SVYRYBIQGDUUMX-HZPDHXFCSA-N 1 1 341.371 0.154 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC001041673714 781963143 /nfs/dbraw/zinc/96/31/43/781963143.db2.gz ZLUYURPUPHPFFT-HDMKZQKVSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ncnc3c2ncn3CC)CC1 ZINC000265263191 247351071 /nfs/dbraw/zinc/35/10/71/247351071.db2.gz VXORMPHDMRODQG-UHFFFAOYSA-N 1 1 341.419 0.108 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ncnc3c2ncn3CC)CC1 ZINC000265263191 247351075 /nfs/dbraw/zinc/35/10/75/247351075.db2.gz VXORMPHDMRODQG-UHFFFAOYSA-N 1 1 341.419 0.108 20 30 ECEDMO CC[C@H](CO)[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000451153354 211363561 /nfs/dbraw/zinc/36/35/61/211363561.db2.gz FLRONOBEXZCMHG-CYBMUJFWSA-N 1 1 335.408 0.206 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000267537195 251136892 /nfs/dbraw/zinc/13/68/92/251136892.db2.gz ARTMFIOUGGCKKF-CYBMUJFWSA-N 1 1 334.351 0.473 20 30 ECEDMO COC(=O)[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411899054 208157397 /nfs/dbraw/zinc/15/73/97/208157397.db2.gz AVXCEPAGFZKRPX-INIZCTEOSA-N 1 1 344.415 0.211 20 30 ECEDMO C[C@H](CNC(=O)N1CCOC[C@H]1C[C@H](C)O)C[NH+]1CCOCC1 ZINC000331017601 254647485 /nfs/dbraw/zinc/64/74/85/254647485.db2.gz YTWONRNVKMDXPL-QLFBSQMISA-N 1 1 329.441 0.340 20 30 ECEDMO COC[C@@](C)(C#N)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000433966476 254794775 /nfs/dbraw/zinc/79/47/75/254794775.db2.gz INQWPVCGQLEQFU-GOSISDBHSA-N 1 1 330.432 0.849 20 30 ECEDMO C[C@H](Oc1ccccc1C#N)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000076485304 296620490 /nfs/dbraw/zinc/62/04/90/296620490.db2.gz YWAVSUDCJPVPAZ-AWEZNQCLSA-N 1 1 344.415 0.606 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)N(S(C)(=O)=O)C1 ZINC000329844950 286102805 /nfs/dbraw/zinc/10/28/05/286102805.db2.gz LPACPIKXCSFOSL-UZGDPCLZSA-N 1 1 345.465 0.617 20 30 ECEDMO CC(C)COC[C@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000246326071 165131145 /nfs/dbraw/zinc/13/11/45/165131145.db2.gz FXABNZZMDOUGNG-HUUCEWRRSA-N 1 1 333.436 0.892 20 30 ECEDMO CC(C)COC[C@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000246326071 165131148 /nfs/dbraw/zinc/13/11/48/165131148.db2.gz FXABNZZMDOUGNG-HUUCEWRRSA-N 1 1 333.436 0.892 20 30 ECEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000173801109 263149300 /nfs/dbraw/zinc/14/93/00/263149300.db2.gz NSXPZUXZYZFHNI-HNNXBMFYSA-N 1 1 345.447 0.872 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000269542438 263187907 /nfs/dbraw/zinc/18/79/07/263187907.db2.gz BIXKFUDXGODNBL-UHFFFAOYSA-N 1 1 349.391 0.942 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000270957335 263288273 /nfs/dbraw/zinc/28/82/73/263288273.db2.gz UKVZXGDNZOMKCJ-HZPDHXFCSA-N 1 1 329.400 0.995 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(CC(=O)NCc3ccc(C#N)cc3)[C@H]2C1 ZINC000284483535 264219053 /nfs/dbraw/zinc/21/90/53/264219053.db2.gz AZUHCXRQCQCIKL-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000295103327 266127857 /nfs/dbraw/zinc/12/78/57/266127857.db2.gz HJLPUTSYLWVTFW-UHFFFAOYSA-N 1 1 329.397 0.431 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ncccc3C#N)CC2)C1 ZINC000369680200 266154041 /nfs/dbraw/zinc/15/40/41/266154041.db2.gz OHNDABYRRDNYDH-MRXNPFEDSA-N 1 1 343.431 0.713 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ncccc3C#N)CC2)C1 ZINC000369680200 266154044 /nfs/dbraw/zinc/15/40/44/266154044.db2.gz OHNDABYRRDNYDH-MRXNPFEDSA-N 1 1 343.431 0.713 20 30 ECEDMO CC[N@H+]1CC[C@@H]2OCCN(CC(=O)NCc3ccc(C#N)cc3)[C@@H]2C1 ZINC000339389455 266154970 /nfs/dbraw/zinc/15/49/70/266154970.db2.gz QVNALHAJSOSPHM-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@@](O)(CNC(=O)Cc1c(F)cccc1C#N)C[NH+]1CCOCC1 ZINC000353714113 267114350 /nfs/dbraw/zinc/11/43/50/267114350.db2.gz PUSGVHSLKPXTLM-QGZVFWFLSA-N 1 1 335.379 0.439 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000353840758 267191825 /nfs/dbraw/zinc/19/18/25/267191825.db2.gz ISAZOSAZMHWULZ-AWEZNQCLSA-N 1 1 332.404 0.645 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)c(F)c1 ZINC000303262748 268116792 /nfs/dbraw/zinc/11/67/92/268116792.db2.gz QFRASRHJVOHOPS-MRXNPFEDSA-N 1 1 348.422 0.512 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1 ZINC000364078240 268176716 /nfs/dbraw/zinc/17/67/16/268176716.db2.gz XIGOBAQQOAUETB-YOEHRIQHSA-N 1 1 331.372 0.872 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000336869812 268177422 /nfs/dbraw/zinc/17/74/22/268177422.db2.gz FCGXDQGLCJABOD-KGLIPLIRSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000363438939 268177447 /nfs/dbraw/zinc/17/74/47/268177447.db2.gz WYINYANBFJPJAA-HOTGVXAUSA-N 1 1 344.415 0.788 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000336869811 268177604 /nfs/dbraw/zinc/17/76/04/268177604.db2.gz FCGXDQGLCJABOD-KBPBESRZSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000375841827 268262662 /nfs/dbraw/zinc/26/26/62/268262662.db2.gz PBDAHHLZTBAINT-JKSUJKDBSA-N 1 1 342.399 0.554 20 30 ECEDMO Cc1c[nH+]cn1C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000376741101 274828582 /nfs/dbraw/zinc/82/85/82/274828582.db2.gz CXTOATIIVOZCJL-UHFFFAOYSA-N 1 1 328.376 0.302 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2C(=O)N(CC)CC)CC1 ZINC000490780703 275382508 /nfs/dbraw/zinc/38/25/08/275382508.db2.gz PNCZOCHJFPFPRY-INIZCTEOSA-N 1 1 334.464 0.097 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)N(CC)CC)CC1 ZINC000490780703 275382509 /nfs/dbraw/zinc/38/25/09/275382509.db2.gz PNCZOCHJFPFPRY-INIZCTEOSA-N 1 1 334.464 0.097 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451889333 276137553 /nfs/dbraw/zinc/13/75/53/276137553.db2.gz LWRWOHUOOPTVJF-MCIONIFRSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451889333 276137555 /nfs/dbraw/zinc/13/75/55/276137555.db2.gz LWRWOHUOOPTVJF-MCIONIFRSA-N 1 1 332.470 0.100 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000189387419 437595452 /nfs/dbraw/zinc/59/54/52/437595452.db2.gz CPBDNLJRHUVZIV-INIZCTEOSA-N 1 1 330.432 0.932 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000189397007 437596639 /nfs/dbraw/zinc/59/66/39/437596639.db2.gz YICLRACCWHRKFI-OCCSQVGLSA-N 1 1 334.445 0.723 20 30 ECEDMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328927891 278133781 /nfs/dbraw/zinc/13/37/81/278133781.db2.gz XJZJTYNKWCCJRK-YUELXQCFSA-N 1 1 338.452 0.357 20 30 ECEDMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328927891 278133783 /nfs/dbraw/zinc/13/37/83/278133783.db2.gz XJZJTYNKWCCJRK-YUELXQCFSA-N 1 1 338.452 0.357 20 30 ECEDMO Cn1nc2c(cc1=O)CN(C(=O)NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000329797233 279399306 /nfs/dbraw/zinc/39/93/06/279399306.db2.gz HEKGTCVJCSDVCP-GFCCVEGCSA-N 1 1 331.420 0.537 20 30 ECEDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000329368554 288300337 /nfs/dbraw/zinc/30/03/37/288300337.db2.gz HYOANIWBGARZGK-MGPQQGTHSA-N 1 1 344.481 0.493 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](CC(C)(C)O)C2CC2)CC1 ZINC000189891982 437610011 /nfs/dbraw/zinc/61/00/11/437610011.db2.gz HYYDFZUNAQHUTA-MRXNPFEDSA-N 1 1 336.480 0.914 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1(C#N)CCC1 ZINC000419450285 289019425 /nfs/dbraw/zinc/01/94/25/289019425.db2.gz ZESFYDTYOJCCLA-CQSZACIVSA-N 1 1 335.452 0.922 20 30 ECEDMO C[C@H](NC(=O)N1CCC[C@H]1CS(N)(=O)=O)C1=CC[N@@H+](C)CC1 ZINC000328857302 289232828 /nfs/dbraw/zinc/23/28/28/289232828.db2.gz YBMCOGBXXYPNSE-AAEUAGOBSA-N 1 1 330.454 0.304 20 30 ECEDMO C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000190277043 437619785 /nfs/dbraw/zinc/61/97/85/437619785.db2.gz IAXJYXZSFTYILU-CQSZACIVSA-N 1 1 329.400 0.638 20 30 ECEDMO N#CCCN(CCC#N)C(=O)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000072970987 436064516 /nfs/dbraw/zinc/06/45/16/436064516.db2.gz OQZDEULNTSSJRA-MRXNPFEDSA-N 1 1 333.436 0.439 20 30 ECEDMO CN(C)C(=O)CN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000022199529 436115240 /nfs/dbraw/zinc/11/52/40/436115240.db2.gz ZVJLMPVDVCVCJX-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000077842118 436256360 /nfs/dbraw/zinc/25/63/60/436256360.db2.gz CMTIKBCQMVJJGE-KRWDZBQOSA-N 1 1 343.427 0.960 20 30 ECEDMO CC(C)OCC[NH+]1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000080674993 436324587 /nfs/dbraw/zinc/32/45/87/436324587.db2.gz MLUFKWUZFBDCBB-UHFFFAOYSA-N 1 1 337.468 0.727 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@@H+](CCC#N)CC1CC1)c(=O)n2C ZINC000081044476 436335362 /nfs/dbraw/zinc/33/53/62/436335362.db2.gz VPBLIHFOWPBRLD-UHFFFAOYSA-N 1 1 344.419 0.449 20 30 ECEDMO C[N@@H+](CCNC(=O)C(=O)Nc1ccn(CCC#N)n1)C1CCCC1 ZINC000086461302 436394316 /nfs/dbraw/zinc/39/43/16/436394316.db2.gz UESBNYZKMSGGGA-UHFFFAOYSA-N 1 1 332.408 0.726 20 30 ECEDMO C=CCCC[C@@H](C)[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000091534633 436452676 /nfs/dbraw/zinc/45/26/76/436452676.db2.gz MLRJXXVEZGPZIT-OAHLLOKOSA-N 1 1 331.482 0.926 20 30 ECEDMO C=CCCC[C@@H](C)[NH+]1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000091508441 436452887 /nfs/dbraw/zinc/45/28/87/436452887.db2.gz NXLPMUGSYBOBGC-MRXNPFEDSA-N 1 1 344.525 0.841 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC000091631986 436456848 /nfs/dbraw/zinc/45/68/48/436456848.db2.gz UZPPABOQSUCCJR-HZPDHXFCSA-N 1 1 336.480 0.914 20 30 ECEDMO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942600 436422106 /nfs/dbraw/zinc/42/21/06/436422106.db2.gz IDXOPFPVUABVQQ-NSHDSACASA-N 1 1 349.439 0.598 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000090187881 436428605 /nfs/dbraw/zinc/42/86/05/436428605.db2.gz MZTPZLUTCWJREE-UHFFFAOYSA-N 1 1 349.391 0.942 20 30 ECEDMO C=C(C)C[N@H+](CC)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000061758729 436638578 /nfs/dbraw/zinc/63/85/78/436638578.db2.gz MKOLOIQWPCCMDU-UHFFFAOYSA-N 1 1 338.496 0.943 20 30 ECEDMO C[C@@H](C(=O)NCCNC(=O)C1N=CC=CC1=O)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000116976952 436656055 /nfs/dbraw/zinc/65/60/55/436656055.db2.gz QYOWIKQSWIAEPH-QAJXLXIGSA-N 1 1 334.420 0.890 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000193958827 436656240 /nfs/dbraw/zinc/65/62/40/436656240.db2.gz XPWGFPGOKWCWQS-OAHLLOKOSA-N 1 1 336.436 0.319 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1ccc(CC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000270331532 436672238 /nfs/dbraw/zinc/67/22/38/436672238.db2.gz BTAAXIHNPLEHGI-INIZCTEOSA-N 1 1 349.456 0.944 20 30 ECEDMO CC(C)S(=O)(=O)CCC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000119860912 436674583 /nfs/dbraw/zinc/67/45/83/436674583.db2.gz RYGFVFDSRCDCGB-UHFFFAOYSA-N 1 1 327.454 0.941 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)CC2(C)C)c1 ZINC000271078472 436677936 /nfs/dbraw/zinc/67/79/36/436677936.db2.gz XPSGBVHZENSRSP-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)CC2(C)C)c1 ZINC000271078472 436677940 /nfs/dbraw/zinc/67/79/40/436677940.db2.gz XPSGBVHZENSRSP-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO CC1(C#N)CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000272499362 436719408 /nfs/dbraw/zinc/71/94/08/436719408.db2.gz DKWRWADHDDEXHR-UHFFFAOYSA-N 1 1 344.415 0.793 20 30 ECEDMO C=CC[C@H](CO)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000273448226 436755411 /nfs/dbraw/zinc/75/54/11/436755411.db2.gz XLRVHAOPSCTBKZ-HZPDHXFCSA-N 1 1 347.463 0.828 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000125297335 436766767 /nfs/dbraw/zinc/76/67/67/436766767.db2.gz HTRCJSZHOJACDS-CABCVRRESA-N 1 1 331.420 0.633 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000245864396 436768768 /nfs/dbraw/zinc/76/87/68/436768768.db2.gz JMVDLZGMBOTTSH-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000245864396 436768771 /nfs/dbraw/zinc/76/87/71/436768771.db2.gz JMVDLZGMBOTTSH-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000246300274 436777657 /nfs/dbraw/zinc/77/76/57/436777657.db2.gz BTUHNQQEBBBYIX-GDBMZVCRSA-N 1 1 346.431 0.510 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000246300274 436777661 /nfs/dbraw/zinc/77/76/61/436777661.db2.gz BTUHNQQEBBBYIX-GDBMZVCRSA-N 1 1 346.431 0.510 20 30 ECEDMO CN1CCO[C@@H]2C[N@@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]21 ZINC000155316522 436793785 /nfs/dbraw/zinc/79/37/85/436793785.db2.gz BZRNFQFKQMTHHM-OWCLPIDISA-N 1 1 340.383 0.205 20 30 ECEDMO CN1CCO[C@@H]2C[N@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]21 ZINC000155316522 436793789 /nfs/dbraw/zinc/79/37/89/436793789.db2.gz BZRNFQFKQMTHHM-OWCLPIDISA-N 1 1 340.383 0.205 20 30 ECEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000158734314 436848816 /nfs/dbraw/zinc/84/88/16/436848816.db2.gz RIMDBQVYNOLSAO-UHFFFAOYSA-N 1 1 343.836 0.900 20 30 ECEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000158734314 436848822 /nfs/dbraw/zinc/84/88/22/436848822.db2.gz RIMDBQVYNOLSAO-UHFFFAOYSA-N 1 1 343.836 0.900 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000293238317 436859870 /nfs/dbraw/zinc/85/98/70/436859870.db2.gz CURLGKAARAXZCB-AWEZNQCLSA-N 1 1 342.399 0.987 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000280130875 436864206 /nfs/dbraw/zinc/86/42/06/436864206.db2.gz CISRQPKTHODKGB-UHFFFAOYSA-N 1 1 349.435 0.766 20 30 ECEDMO C[C@@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)N1CC[NH+](C)CC1 ZINC000130303580 436836210 /nfs/dbraw/zinc/83/62/10/436836210.db2.gz QHCUVJZEKAZYHO-AWEZNQCLSA-N 1 1 328.416 0.784 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000293877311 436915503 /nfs/dbraw/zinc/91/55/03/436915503.db2.gz TUZQKYSSYDHJOT-UHFFFAOYSA-N 1 1 338.355 0.679 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000293908007 436918825 /nfs/dbraw/zinc/91/88/25/436918825.db2.gz FTGOWCBAPMCDTG-RDTXWAMCSA-N 1 1 348.447 0.558 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160729770 436876510 /nfs/dbraw/zinc/87/65/10/436876510.db2.gz ACAAXKZQYHZGNJ-MRXNPFEDSA-N 1 1 349.479 0.100 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC)nc1Cl ZINC000293471626 436880038 /nfs/dbraw/zinc/88/00/38/436880038.db2.gz UWHYTMSDMGPDGO-UHFFFAOYSA-N 1 1 338.795 0.753 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280317163 436880957 /nfs/dbraw/zinc/88/09/57/436880957.db2.gz OEDDAOFZTBQTNA-WMLDXEAASA-N 1 1 326.400 0.766 20 30 ECEDMO CN1CCN(c2cc(CNC(=[NH2+])NC[C@H]3CCCO3)ccn2)CC1 ZINC000161510821 436891132 /nfs/dbraw/zinc/89/11/32/436891132.db2.gz HUJGZOJUTCZFAY-OAHLLOKOSA-N 1 1 332.452 0.417 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000293678433 436899751 /nfs/dbraw/zinc/89/97/51/436899751.db2.gz AUKKUWSTQVJEKI-UHFFFAOYSA-N 1 1 337.401 0.365 20 30 ECEDMO C[NH+]=C(NCc1cn[nH]c1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262523591 436938814 /nfs/dbraw/zinc/93/88/14/436938814.db2.gz FTYJMCIVZORFLZ-CQSZACIVSA-N 1 1 334.424 0.117 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](CCCS(N)(=O)=O)CC2)c(F)c1 ZINC000170914671 436961216 /nfs/dbraw/zinc/96/12/16/436961216.db2.gz SKBVAVRHZTUECH-UHFFFAOYSA-N 1 1 326.397 0.498 20 30 ECEDMO COCC[NH+]1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1 ZINC000281314988 436961447 /nfs/dbraw/zinc/96/14/47/436961447.db2.gz ZZPHATQECYBRPC-UHFFFAOYSA-N 1 1 333.388 0.736 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@H](O)C2)c(OC)c1 ZINC000295080653 436961508 /nfs/dbraw/zinc/96/15/08/436961508.db2.gz BAWHZTQAWRBDMV-CVEARBPZSA-N 1 1 337.416 0.857 20 30 ECEDMO C[C@@H](C#N)C[N@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000264217009 437018472 /nfs/dbraw/zinc/01/84/72/437018472.db2.gz OBIKDGRFDFPVOU-LBPRGKRZSA-N 1 1 335.408 0.754 20 30 ECEDMO C[C@@H](C#N)C[N@@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000264217009 437018475 /nfs/dbraw/zinc/01/84/75/437018475.db2.gz OBIKDGRFDFPVOU-LBPRGKRZSA-N 1 1 335.408 0.754 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+](CC)C2CC2)cc1 ZINC000263783512 436987664 /nfs/dbraw/zinc/98/76/64/436987664.db2.gz WADNXAISLUMQNR-UHFFFAOYSA-N 1 1 349.456 0.812 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000284094705 437038983 /nfs/dbraw/zinc/03/89/83/437038983.db2.gz SWCWOSXDOAXRIM-CZUORRHYSA-N 1 1 344.415 0.572 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285055933 437075403 /nfs/dbraw/zinc/07/54/03/437075403.db2.gz OIORMUYHGFUNRV-SJKOYZFVSA-N 1 1 348.378 0.383 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285055933 437075405 /nfs/dbraw/zinc/07/54/05/437075405.db2.gz OIORMUYHGFUNRV-SJKOYZFVSA-N 1 1 348.378 0.383 20 30 ECEDMO N#CCOc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264739478 437075823 /nfs/dbraw/zinc/07/58/23/437075823.db2.gz JLUUUUHXKDSFCF-INIZCTEOSA-N 1 1 344.415 0.587 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000285768372 437082011 /nfs/dbraw/zinc/08/20/11/437082011.db2.gz DXUDMKCGEQLGBK-UHFFFAOYSA-N 1 1 325.372 0.838 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174893148 437089722 /nfs/dbraw/zinc/08/97/22/437089722.db2.gz JAIYWDQPPRVMPA-SJORKVTESA-N 1 1 335.496 0.849 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000286457629 437091439 /nfs/dbraw/zinc/09/14/39/437091439.db2.gz GAXIBWKWXQWDCI-INIZCTEOSA-N 1 1 344.415 0.354 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C#N)(N(C)C)CC1 ZINC000331439814 437096018 /nfs/dbraw/zinc/09/60/18/437096018.db2.gz XFMHHQLMXXNBQO-ZFWWWQNUSA-N 1 1 347.463 0.032 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000286565039 437102758 /nfs/dbraw/zinc/10/27/58/437102758.db2.gz SPMALVSNIGNLHD-CYBMUJFWSA-N 1 1 329.466 0.106 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000331818119 437163885 /nfs/dbraw/zinc/16/38/85/437163885.db2.gz GYFMEUIYFXCRBC-RRFJBIMHSA-N 1 1 333.436 0.627 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000286657583 437113298 /nfs/dbraw/zinc/11/32/98/437113298.db2.gz RGKLSDMZSPBFIF-MRXNPFEDSA-N 1 1 344.415 0.354 20 30 ECEDMO CN1CC[NH+](Cc2ccc(C(=O)N3CCOC[C@@H]3C#N)cc2)CC1 ZINC000175878389 437119913 /nfs/dbraw/zinc/11/99/13/437119913.db2.gz NIAPNWKQNXVNEN-KRWDZBQOSA-N 1 1 328.416 0.799 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(Nc2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301684656 437129093 /nfs/dbraw/zinc/12/90/93/437129093.db2.gz WNRMRUZYVAMESI-UHFFFAOYSA-N 1 1 332.364 0.826 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001077981576 782066285 /nfs/dbraw/zinc/06/62/85/782066285.db2.gz SQPVPEHZEMJPLM-HZPDHXFCSA-N 1 1 347.415 0.601 20 30 ECEDMO CC1(C#N)CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000333325250 437266383 /nfs/dbraw/zinc/26/63/83/437266383.db2.gz XQJQZOWDDGNAFT-CQSZACIVSA-N 1 1 334.420 0.072 20 30 ECEDMO CN(C)C(=O)Cn1cc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)cn1 ZINC000328817528 437267257 /nfs/dbraw/zinc/26/72/57/437267257.db2.gz OXGMEQOXTKHRRV-GFCCVEGCSA-N 1 1 325.438 0.997 20 30 ECEDMO CN(C)C(=O)Cn1cc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)cn1 ZINC000328817528 437267260 /nfs/dbraw/zinc/26/72/60/437267260.db2.gz OXGMEQOXTKHRRV-GFCCVEGCSA-N 1 1 325.438 0.997 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000266647372 437225659 /nfs/dbraw/zinc/22/56/59/437225659.db2.gz MPGPJEAQWHJKRT-CQSZACIVSA-N 1 1 346.387 0.364 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC(C#N)CC3)CC2)c1 ZINC000332520205 437227644 /nfs/dbraw/zinc/22/76/44/437227644.db2.gz PCRSRQPCHDGGCN-UHFFFAOYSA-N 1 1 341.415 0.801 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CC([NH+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000328646512 437247148 /nfs/dbraw/zinc/24/71/48/437247148.db2.gz SPPOZBLLYYJOMU-RUXDESIVSA-N 1 1 325.409 0.601 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CC([NH+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000328646512 437247152 /nfs/dbraw/zinc/24/71/52/437247152.db2.gz SPPOZBLLYYJOMU-RUXDESIVSA-N 1 1 325.409 0.601 20 30 ECEDMO C[NH+]1CCO[C@H](C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000328646512 437247155 /nfs/dbraw/zinc/24/71/55/437247155.db2.gz SPPOZBLLYYJOMU-RUXDESIVSA-N 1 1 325.409 0.601 20 30 ECEDMO C[NH+]1CCO[C@H](C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000328646512 437247161 /nfs/dbraw/zinc/24/71/61/437247161.db2.gz SPPOZBLLYYJOMU-RUXDESIVSA-N 1 1 325.409 0.601 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCc1c[nH]c2ncccc12 ZINC000328725128 437255461 /nfs/dbraw/zinc/25/54/61/437255461.db2.gz TVJLFNNBDFGGLQ-AWEZNQCLSA-N 1 1 330.436 0.855 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1C ZINC000329050212 437309475 /nfs/dbraw/zinc/30/94/75/437309475.db2.gz KOEIYKAGCQMJEB-NEPJUHHUSA-N 1 1 335.412 0.202 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000336936962 437314540 /nfs/dbraw/zinc/31/45/40/437314540.db2.gz GMWCGRTWJZZWQF-LBPRGKRZSA-N 1 1 325.394 0.058 20 30 ECEDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)N(CCC#N)CCOC)C1 ZINC000336940684 437315672 /nfs/dbraw/zinc/31/56/72/437315672.db2.gz JEYSOIUMNZLSCI-AWEZNQCLSA-N 1 1 332.470 0.415 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000336947335 437316822 /nfs/dbraw/zinc/31/68/22/437316822.db2.gz PDCIETUYLWKVRF-NWDGAFQWSA-N 1 1 325.394 0.058 20 30 ECEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000267302132 437316848 /nfs/dbraw/zinc/31/68/48/437316848.db2.gz KJBGIJSSEHPBIZ-OLZOCXBDSA-N 1 1 337.445 0.855 20 30 ECEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000267302132 437316856 /nfs/dbraw/zinc/31/68/56/437316856.db2.gz KJBGIJSSEHPBIZ-OLZOCXBDSA-N 1 1 337.445 0.855 20 30 ECEDMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000329089950 437317291 /nfs/dbraw/zinc/31/72/91/437317291.db2.gz ITGKRFTZFWXGBF-YPMHNXCESA-N 1 1 347.419 0.939 20 30 ECEDMO CCC[N@@H+](CC)CCNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000266982200 437274561 /nfs/dbraw/zinc/27/45/61/437274561.db2.gz SOUCPDDFEZHQAL-PFONDFGASA-N 1 1 337.424 0.544 20 30 ECEDMO C#CCNc1nc(NC[C@H](O)C2CC2)nc(NC[C@H](O)C2CC2)[nH+]1 ZINC000288100284 437279739 /nfs/dbraw/zinc/27/97/39/437279739.db2.gz WXDLDAXDIOUWCB-STQMWFEESA-N 1 1 332.408 0.282 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000333972772 437292044 /nfs/dbraw/zinc/29/20/44/437292044.db2.gz YLVRPLNWHJRPBU-REWJHTLYSA-N 1 1 325.409 0.249 20 30 ECEDMO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000278271608 437298739 /nfs/dbraw/zinc/29/87/39/437298739.db2.gz HRAHTYLRVJSARA-QLFBSQMISA-N 1 1 349.435 0.271 20 30 ECEDMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000278271608 437298743 /nfs/dbraw/zinc/29/87/43/437298743.db2.gz HRAHTYLRVJSARA-QLFBSQMISA-N 1 1 349.435 0.271 20 30 ECEDMO C[C@@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)C1=CC[N@@H+](C)CC1 ZINC000329304732 437349649 /nfs/dbraw/zinc/34/96/49/437349649.db2.gz OLTZBWHGTYSACC-GFCCVEGCSA-N 1 1 331.420 0.703 20 30 ECEDMO O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000329317003 437352155 /nfs/dbraw/zinc/35/21/55/437352155.db2.gz DALPMDDIFZQYAH-SOUVJXGZSA-N 1 1 334.424 0.692 20 30 ECEDMO CC[N@@H+](CCO)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182750732 437363139 /nfs/dbraw/zinc/36/31/39/437363139.db2.gz YTBQFOSBNBMLSZ-KRWDZBQOSA-N 1 1 348.422 0.849 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000182873941 437367694 /nfs/dbraw/zinc/36/76/94/437367694.db2.gz HGZWZLOPQBZNFD-HNNXBMFYSA-N 1 1 348.451 0.225 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N1CCC(N2CCNC2=O)CC1 ZINC000329458734 437371416 /nfs/dbraw/zinc/37/14/16/437371416.db2.gz RHVBDXOVHJZFIP-UHFFFAOYSA-N 1 1 341.481 0.643 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2COC[C@H]2O)C[C@@H](C)O1 ZINC000329491626 437374479 /nfs/dbraw/zinc/37/44/79/437374479.db2.gz VPQKAWPRHRLAPE-AAVRWANBSA-N 1 1 329.441 0.480 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329129545 437323364 /nfs/dbraw/zinc/32/33/64/437323364.db2.gz WDKICLRCZKFQTK-HIFRSBDPSA-N 1 1 329.466 0.877 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000337057848 437323489 /nfs/dbraw/zinc/32/34/89/437323489.db2.gz DNAZDAXFBGVAEV-OCCSQVGLSA-N 1 1 328.438 0.062 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000337062005 437325501 /nfs/dbraw/zinc/32/55/01/437325501.db2.gz HLRIZSIFAAIZEU-UKRRQHHQSA-N 1 1 328.482 0.986 20 30 ECEDMO CCN1CCCC[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000267396513 437327233 /nfs/dbraw/zinc/32/72/33/437327233.db2.gz FAQMFNPVBDAPHR-HNNXBMFYSA-N 1 1 331.468 0.788 20 30 ECEDMO C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000181748391 437330724 /nfs/dbraw/zinc/33/07/24/437330724.db2.gz DLWKVUPYUAQMKR-MRXNPFEDSA-N 1 1 346.431 0.355 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000329204773 437333209 /nfs/dbraw/zinc/33/32/09/437333209.db2.gz DDUPLJFDQMFMAP-CABCVRRESA-N 1 1 338.452 0.565 20 30 ECEDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000337102594 437333199 /nfs/dbraw/zinc/33/31/99/437333199.db2.gz XFLPDFLNPJDBCO-ZIAGYGMSSA-N 1 1 330.454 0.262 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)n(C)n1 ZINC000329807801 437417096 /nfs/dbraw/zinc/41/70/96/437417096.db2.gz OXTHPTNAKYZMDM-MJBXVCDLSA-N 1 1 348.451 0.820 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CN2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC000329590214 437387390 /nfs/dbraw/zinc/38/73/90/437387390.db2.gz SYWQNNZFYGUEKG-OKILXGFUSA-N 1 1 340.468 0.605 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CN2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC000329590214 437387394 /nfs/dbraw/zinc/38/73/94/437387394.db2.gz SYWQNNZFYGUEKG-OKILXGFUSA-N 1 1 340.468 0.605 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000329621227 437392961 /nfs/dbraw/zinc/39/29/61/437392961.db2.gz FOGUFUMVTDKMEZ-VVLHAWIVSA-N 1 1 334.464 0.381 20 30 ECEDMO [O-]C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)=[NH+][C@H]1CCc2ncnn2C1 ZINC000330210766 437469477 /nfs/dbraw/zinc/46/94/77/437469477.db2.gz CMKQKGTZWJWZQU-ZNMIVQPWSA-N 1 1 348.451 0.474 20 30 ECEDMO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@H]1CCc2ncnn2C1 ZINC000330210766 437469481 /nfs/dbraw/zinc/46/94/81/437469481.db2.gz CMKQKGTZWJWZQU-ZNMIVQPWSA-N 1 1 348.451 0.474 20 30 ECEDMO C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)c1ncn(C)n1 ZINC000330209336 437469852 /nfs/dbraw/zinc/46/98/52/437469852.db2.gz BQJWFRFPDVLCLV-CHWSQXEVSA-N 1 1 336.440 0.975 20 30 ECEDMO Cc1ccc(CNC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c(=O)n1C ZINC000330208323 437470424 /nfs/dbraw/zinc/47/04/24/437470424.db2.gz AZDASXDASJCMBN-AWEZNQCLSA-N 1 1 349.479 0.723 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000289759113 437439181 /nfs/dbraw/zinc/43/91/81/437439181.db2.gz QWYXVXJFJCVFDZ-KBMXLJTQSA-N 1 1 335.448 0.850 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000329979574 437442225 /nfs/dbraw/zinc/44/22/25/437442225.db2.gz JVOLKTXKQOFKHV-NVXWUHKLSA-N 1 1 340.468 0.418 20 30 ECEDMO O=C(N[C@H]1CC[S@@](=O)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000330010768 437444195 /nfs/dbraw/zinc/44/41/95/437444195.db2.gz HHEATDPCZZZOHF-FPTDNZKUSA-N 1 1 329.466 0.466 20 30 ECEDMO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCOCCC#N)C[C@@H]1O ZINC000339152910 437444461 /nfs/dbraw/zinc/44/44/61/437444461.db2.gz HPAXVBBGLZNGAB-KBPBESRZSA-N 1 1 327.425 0.235 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000330009130 437445014 /nfs/dbraw/zinc/44/50/14/437445014.db2.gz HCUYMCYRSFOSNS-LBPRGKRZSA-N 1 1 331.438 0.074 20 30 ECEDMO Cc1nnccc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000330100596 437454175 /nfs/dbraw/zinc/45/41/75/437454175.db2.gz DOKGKAJXLPGCFS-AWEZNQCLSA-N 1 1 332.408 0.569 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000330214501 437469234 /nfs/dbraw/zinc/46/92/34/437469234.db2.gz LTNBRFFBHPYITF-IIAWOOMASA-N 1 1 342.509 0.791 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000330377368 437495217 /nfs/dbraw/zinc/49/52/17/437495217.db2.gz FFIDYKATJMVCOK-QWHCGFSZSA-N 1 1 325.438 0.761 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339723330 437500698 /nfs/dbraw/zinc/50/06/98/437500698.db2.gz FARSMJXTGJYEJY-CQSZACIVSA-N 1 1 343.493 0.495 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330409662 437504265 /nfs/dbraw/zinc/50/42/65/437504265.db2.gz YHTCNDIYNGDPLT-RDBSUJKOSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330409662 437504270 /nfs/dbraw/zinc/50/42/70/437504270.db2.gz YHTCNDIYNGDPLT-RDBSUJKOSA-N 1 1 332.470 0.100 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[N@H+](C)C1 ZINC000330531708 437541918 /nfs/dbraw/zinc/54/19/18/437541918.db2.gz HCAVGLACTSOSTA-SQNIBIBYSA-N 1 1 342.443 0.942 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[N@@H+](C)C1 ZINC000330531708 437541922 /nfs/dbraw/zinc/54/19/22/437541922.db2.gz HCAVGLACTSOSTA-SQNIBIBYSA-N 1 1 342.443 0.942 20 30 ECEDMO CO[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000330506240 437533896 /nfs/dbraw/zinc/53/38/96/437533896.db2.gz LDWYNDQMMDZIDE-HUUCEWRRSA-N 1 1 340.468 0.954 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(S(N)(=O)=O)oc2C)C1 ZINC000330673008 437585048 /nfs/dbraw/zinc/58/50/48/437585048.db2.gz DWSGPBXCURHFDX-SNVBAGLBSA-N 1 1 331.394 0.261 20 30 ECEDMO Cc1onc(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1C#N ZINC000354498850 437629490 /nfs/dbraw/zinc/62/94/90/437629490.db2.gz TZMASANDASTYJO-LBPRGKRZSA-N 1 1 333.392 0.101 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000291900795 437638328 /nfs/dbraw/zinc/63/83/28/437638328.db2.gz PXQJRUCCZCVIBC-OAHLLOKOSA-N 1 1 347.419 0.694 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000291940188 437642327 /nfs/dbraw/zinc/64/23/27/437642327.db2.gz NIJHYBWGAUJQHR-KRWDZBQOSA-N 1 1 348.468 0.788 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)NCCN2CC=C(C)CC2)CC1 ZINC000343766977 437650810 /nfs/dbraw/zinc/65/08/10/437650810.db2.gz PQBMNCOKCMRURJ-UHFFFAOYSA-N 1 1 334.464 0.521 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340482812 437664342 /nfs/dbraw/zinc/66/43/42/437664342.db2.gz XXWDJIRRFPZFRM-UGUYLWEFSA-N 1 1 335.448 0.827 20 30 ECEDMO COc1ccnc(N2CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000361452381 437665851 /nfs/dbraw/zinc/66/58/51/437665851.db2.gz OTNVOVIDWPUJSF-AWEZNQCLSA-N 1 1 346.435 0.758 20 30 ECEDMO COc1ccnc(N2CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000361452381 437665857 /nfs/dbraw/zinc/66/58/57/437665857.db2.gz OTNVOVIDWPUJSF-AWEZNQCLSA-N 1 1 346.435 0.758 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCOC[C@H]1C[C@H](C)O)[NH+]1CCOCC1 ZINC000331003750 437668788 /nfs/dbraw/zinc/66/87/88/437668788.db2.gz RTYLRIYAMNHNQI-XHSDSOJGSA-N 1 1 343.468 0.729 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340501856 437675027 /nfs/dbraw/zinc/67/50/27/437675027.db2.gz VMFOLRNIEMQJJS-YCPHGPKFSA-N 1 1 335.448 0.684 20 30 ECEDMO CO[C@@H]1C[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@H]1OC ZINC000331102526 437689358 /nfs/dbraw/zinc/68/93/58/437689358.db2.gz GTQZMQSZJJYQOI-ARFHVFGLSA-N 1 1 338.452 0.024 20 30 ECEDMO CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000292389050 437686203 /nfs/dbraw/zinc/68/62/03/437686203.db2.gz ZRTSTSBRCUMUKK-CYBMUJFWSA-N 1 1 343.387 0.737 20 30 ECEDMO C[C@@H](CN1CCCC1=O)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000331104166 437688451 /nfs/dbraw/zinc/68/84/51/437688451.db2.gz DWVLSJACVXTYCO-ZDUSSCGKSA-N 1 1 326.441 0.300 20 30 ECEDMO CC(C)C[C@@H](CNC(=O)N1C[C@@H](O)C[C@H]1CO)[NH+]1CCOCC1 ZINC000331101795 437688534 /nfs/dbraw/zinc/68/85/34/437688534.db2.gz CIKWTVFVRXNEEC-KKUMJFAQSA-N 1 1 329.441 0.075 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000344198443 437744877 /nfs/dbraw/zinc/74/48/77/437744877.db2.gz OZBFBPHWUVJDRE-UHFFFAOYSA-N 1 1 344.213 0.589 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000344198443 437744879 /nfs/dbraw/zinc/74/48/79/437744879.db2.gz OZBFBPHWUVJDRE-UHFFFAOYSA-N 1 1 344.213 0.589 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)(N(C)C)CC2)C[N@H+]1C1CC1 ZINC000331376456 437747595 /nfs/dbraw/zinc/74/75/95/437747595.db2.gz GZCSJJAVMBUELR-KBPBESRZSA-N 1 1 347.463 0.174 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)nn1CCC#N ZINC000344441439 437754193 /nfs/dbraw/zinc/75/41/93/437754193.db2.gz LJCGPLGBZQAKBE-OLZOCXBDSA-N 1 1 332.408 0.643 20 30 ECEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(=O)NCC#N)C1 ZINC000344464302 437755404 /nfs/dbraw/zinc/75/54/04/437755404.db2.gz RHDRRQLBBXILQD-UKRRQHHQSA-N 1 1 329.404 0.761 20 30 ECEDMO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000356535995 437782038 /nfs/dbraw/zinc/78/20/38/437782038.db2.gz YJAKLUFIMMUSNN-UHFFFAOYSA-N 1 1 328.463 0.934 20 30 ECEDMO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000356535995 437782040 /nfs/dbraw/zinc/78/20/40/437782040.db2.gz YJAKLUFIMMUSNN-UHFFFAOYSA-N 1 1 328.463 0.934 20 30 ECEDMO C=CC1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000423639200 437786298 /nfs/dbraw/zinc/78/62/98/437786298.db2.gz JBGVCOHLVBNDPM-INIZCTEOSA-N 1 1 328.416 0.979 20 30 ECEDMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)N(C)CCC#N)cc1 ZINC000341096381 437794496 /nfs/dbraw/zinc/79/44/96/437794496.db2.gz VDXYPEWLNUFUIN-OAHLLOKOSA-N 1 1 340.449 0.978 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000370512245 437796923 /nfs/dbraw/zinc/79/69/23/437796923.db2.gz DBIGRJYANNLMDC-JKSUJKDBSA-N 1 1 342.395 0.824 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000341123148 437797302 /nfs/dbraw/zinc/79/73/02/437797302.db2.gz LDTNNBYXEPMKLG-OAHLLOKOSA-N 1 1 331.420 0.482 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000346093460 437803658 /nfs/dbraw/zinc/80/36/58/437803658.db2.gz HWCONLWEAMUMGO-UHFFFAOYSA-N 1 1 338.452 0.080 20 30 ECEDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000423698044 437806535 /nfs/dbraw/zinc/80/65/35/437806535.db2.gz MDCMIENZQLGFML-ZFWWWQNUSA-N 1 1 344.415 0.786 20 30 ECEDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)[C@H](C)C1 ZINC000356841643 437846350 /nfs/dbraw/zinc/84/63/50/437846350.db2.gz KIWBVNQGOXCGJK-GFCCVEGCSA-N 1 1 332.408 0.827 20 30 ECEDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)[C@H](C)C1 ZINC000356841643 437846356 /nfs/dbraw/zinc/84/63/56/437846356.db2.gz KIWBVNQGOXCGJK-GFCCVEGCSA-N 1 1 332.408 0.827 20 30 ECEDMO C[C@]1(F)C[NH2+]CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000415791295 437859870 /nfs/dbraw/zinc/85/98/70/437859870.db2.gz ULUYVNTXJSNFIC-AWEZNQCLSA-N 1 1 339.758 0.705 20 30 ECEDMO CCS(=O)(=O)N1CC[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C)C1 ZINC000347283514 437866114 /nfs/dbraw/zinc/86/61/14/437866114.db2.gz CLRDQVZJAWRCEA-ZDUSSCGKSA-N 1 1 330.454 0.104 20 30 ECEDMO CCS(=O)(=O)N1CC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C)C1 ZINC000347283514 437866121 /nfs/dbraw/zinc/86/61/21/437866121.db2.gz CLRDQVZJAWRCEA-ZDUSSCGKSA-N 1 1 330.454 0.104 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000416439224 437932250 /nfs/dbraw/zinc/93/22/50/437932250.db2.gz LRWXZSYOCKBFIH-BMFZPTHFSA-N 1 1 337.445 0.701 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000416439224 437932256 /nfs/dbraw/zinc/93/22/56/437932256.db2.gz LRWXZSYOCKBFIH-BMFZPTHFSA-N 1 1 337.445 0.701 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000342012528 437939644 /nfs/dbraw/zinc/93/96/44/437939644.db2.gz XHQKOOZYOBAWEU-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000371479232 437940965 /nfs/dbraw/zinc/94/09/65/437940965.db2.gz DZCCSCOYJFTVRM-CJNGLKHVSA-N 1 1 348.451 0.404 20 30 ECEDMO C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000371545662 437951950 /nfs/dbraw/zinc/95/19/50/437951950.db2.gz WOUXZEAANKXTAB-RRFJBIMHSA-N 1 1 338.452 0.477 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416654317 437981314 /nfs/dbraw/zinc/98/13/14/437981314.db2.gz CULUSGVPCMCAHK-RDBSUJKOSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416654317 437981319 /nfs/dbraw/zinc/98/13/19/437981319.db2.gz CULUSGVPCMCAHK-RDBSUJKOSA-N 1 1 332.470 0.100 20 30 ECEDMO COCC1(C#N)CC[NH+]([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000341983043 437936032 /nfs/dbraw/zinc/93/60/32/437936032.db2.gz SXNCOVVWPIMBRL-ZIAGYGMSSA-N 1 1 336.436 0.351 20 30 ECEDMO N#Cc1c2c(cnc1NCCCCN1CC[NH+](CCO)CC1)CCC2 ZINC000425223828 438017555 /nfs/dbraw/zinc/01/75/55/438017555.db2.gz IWWBYFHHLDFSSJ-UHFFFAOYSA-N 1 1 343.475 1.244 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000425910431 438049925 /nfs/dbraw/zinc/04/99/25/438049925.db2.gz VVKLYHMBLZMOOB-JYJNAYRXSA-N 1 1 337.464 0.788 20 30 ECEDMO C=CCn1c(-c2ncccn2)nnc1N1CC[NH+](CCOC)CC1 ZINC000417457464 438052621 /nfs/dbraw/zinc/05/26/21/438052621.db2.gz IFIKEUSCXLQGJM-UHFFFAOYSA-N 1 1 329.408 0.690 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000372237792 438054060 /nfs/dbraw/zinc/05/40/60/438054060.db2.gz UGRJBCIGDGBKEQ-KRWDZBQOSA-N 1 1 339.480 0.834 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)nn1CCC#N ZINC000349001352 438124863 /nfs/dbraw/zinc/12/48/63/438124863.db2.gz GABBBGVOHVUJOU-ZIAGYGMSSA-N 1 1 344.419 0.787 20 30 ECEDMO C=CCN1C(=O)c2ccc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)cc2C1=O ZINC000358058336 438134237 /nfs/dbraw/zinc/13/42/37/438134237.db2.gz CRKSTTVHZMBHSB-GOSISDBHSA-N 1 1 343.383 0.265 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)nn1CCC#N ZINC000349077276 438131611 /nfs/dbraw/zinc/13/16/11/438131611.db2.gz CVGHBGXFJPHNSP-CYBMUJFWSA-N 1 1 346.435 1.034 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000358066832 438139015 /nfs/dbraw/zinc/13/90/15/438139015.db2.gz MZMZITMXOLQJNR-JKSUJKDBSA-N 1 1 325.409 0.431 20 30 ECEDMO Cc1n[nH]c([C@H]2CCCN(CC(=O)N(CCC#N)CCC#N)C2)n1 ZINC000349374252 438148129 /nfs/dbraw/zinc/14/81/29/438148129.db2.gz QMTNOPLJBDAFLA-AWEZNQCLSA-N 1 1 329.408 0.948 20 30 ECEDMO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358120174 438158403 /nfs/dbraw/zinc/15/84/03/438158403.db2.gz KIIZMTMKBHUTJN-SFHVURJKSA-N 1 1 347.415 0.763 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374560922 438215547 /nfs/dbraw/zinc/21/55/47/438215547.db2.gz ZQZYJLTVGVBHSG-CYBMUJFWSA-N 1 1 348.403 0.733 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374560922 438215552 /nfs/dbraw/zinc/21/55/52/438215552.db2.gz ZQZYJLTVGVBHSG-CYBMUJFWSA-N 1 1 348.403 0.733 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000374620118 438220157 /nfs/dbraw/zinc/22/01/57/438220157.db2.gz LQZPPUPCAPKMKY-UHFFFAOYSA-N 1 1 327.348 0.880 20 30 ECEDMO N#Cc1ccsc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000432540718 438201135 /nfs/dbraw/zinc/20/11/35/438201135.db2.gz DZZKHQOIAQTKQU-UHFFFAOYSA-N 1 1 336.461 0.740 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000374424762 438208641 /nfs/dbraw/zinc/20/86/41/438208641.db2.gz RMXWOXHVEIGFRJ-QPSCCSFWSA-N 1 1 326.466 0.739 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000374455704 438209523 /nfs/dbraw/zinc/20/95/23/438209523.db2.gz CQCKYEPYCDRQOV-KBPBESRZSA-N 1 1 344.481 0.508 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000374455704 438209530 /nfs/dbraw/zinc/20/95/30/438209530.db2.gz CQCKYEPYCDRQOV-KBPBESRZSA-N 1 1 344.481 0.508 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000376207748 438274717 /nfs/dbraw/zinc/27/47/17/438274717.db2.gz CRAOQEXWWLDPEO-CQSZACIVSA-N 1 1 328.420 0.647 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000376383688 438281863 /nfs/dbraw/zinc/28/18/63/438281863.db2.gz GYCWFUVRPPXBET-KFWWJZLASA-N 1 1 344.481 0.413 20 30 ECEDMO C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1CC[N@H+](CC)C2 ZINC000368461437 438333750 /nfs/dbraw/zinc/33/37/50/438333750.db2.gz IPWOQSABAYFXKU-UHFFFAOYSA-N 1 1 344.415 0.422 20 30 ECEDMO N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000377936079 438333801 /nfs/dbraw/zinc/33/38/01/438333801.db2.gz HALDWNHFGYBGAS-HNNXBMFYSA-N 1 1 331.420 0.835 20 30 ECEDMO CNC(=O)C[N@@H+]1CCCN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000368543864 438345770 /nfs/dbraw/zinc/34/57/70/438345770.db2.gz QBYMJGNKOQLLRI-QGZVFWFLSA-N 1 1 344.415 0.526 20 30 ECEDMO CNC(=O)C[N@H+]1CCCN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000368543864 438345773 /nfs/dbraw/zinc/34/57/73/438345773.db2.gz QBYMJGNKOQLLRI-QGZVFWFLSA-N 1 1 344.415 0.526 20 30 ECEDMO C[N@H+]1CC[C@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C[C@@H]21 ZINC000368591789 438351962 /nfs/dbraw/zinc/35/19/62/438351962.db2.gz MWJLIFTVEJMZAP-HOCLYGCPSA-N 1 1 326.400 0.841 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1[C@H]1CCCN1C(C)=O ZINC000368670782 438363809 /nfs/dbraw/zinc/36/38/09/438363809.db2.gz FRHRCWXPZITQKE-AEGPPILISA-N 1 1 336.436 0.862 20 30 ECEDMO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000352239046 438401885 /nfs/dbraw/zinc/40/18/85/438401885.db2.gz RVCIPBUSNJUIBG-CQSZACIVSA-N 1 1 325.453 0.763 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000352324621 438410364 /nfs/dbraw/zinc/41/03/64/438410364.db2.gz XCLNXXNWOKYBAT-AWEZNQCLSA-N 1 1 343.431 0.639 20 30 ECEDMO CC[N@H+]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H](C)C1 ZINC000352674329 438459207 /nfs/dbraw/zinc/45/92/07/438459207.db2.gz PTWLDJIXFYEQOE-IRXDYDNUSA-N 1 1 335.496 0.705 20 30 ECEDMO CO[C@H](C)C[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000353215221 438502464 /nfs/dbraw/zinc/50/24/64/438502464.db2.gz AZAFRFSYQMKMOV-GFCCVEGCSA-N 1 1 335.408 0.470 20 30 ECEDMO Cc1onc(CC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1C#N ZINC000408148573 438524043 /nfs/dbraw/zinc/52/40/43/438524043.db2.gz CFDHQESCCWEHAG-OAHLLOKOSA-N 1 1 345.403 0.162 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370118340 438553126 /nfs/dbraw/zinc/55/31/26/438553126.db2.gz AHIOXMGNSZGYBH-INIZCTEOSA-N 1 1 329.408 0.841 20 30 ECEDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(C)(C)CC#N ZINC000422479903 438577434 /nfs/dbraw/zinc/57/74/34/438577434.db2.gz LIGIMNHPEBTFMN-ZDUSSCGKSA-N 1 1 338.452 0.346 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(C)(C)CC#N ZINC000422479903 438577435 /nfs/dbraw/zinc/57/74/35/438577435.db2.gz LIGIMNHPEBTFMN-ZDUSSCGKSA-N 1 1 338.452 0.346 20 30 ECEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@H]1C ZINC000441115898 438578013 /nfs/dbraw/zinc/57/80/13/438578013.db2.gz QIAGXBMOFPDGLZ-ZIAGYGMSSA-N 1 1 346.435 0.985 20 30 ECEDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@H]1C ZINC000441115898 438578016 /nfs/dbraw/zinc/57/80/16/438578016.db2.gz QIAGXBMOFPDGLZ-ZIAGYGMSSA-N 1 1 346.435 0.985 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000441250995 438580751 /nfs/dbraw/zinc/58/07/51/438580751.db2.gz FZDZUIBISHUDOL-QGZVFWFLSA-N 1 1 345.399 0.420 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000412074542 438685769 /nfs/dbraw/zinc/68/57/69/438685769.db2.gz LTIWFBOVHBOCOV-VXGBXAGGSA-N 1 1 325.434 0.775 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000412074542 438685771 /nfs/dbraw/zinc/68/57/71/438685771.db2.gz LTIWFBOVHBOCOV-VXGBXAGGSA-N 1 1 325.434 0.775 20 30 ECEDMO C[C@@H]1C[C@]1(C#N)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000448847003 438686003 /nfs/dbraw/zinc/68/60/03/438686003.db2.gz JUSVCPCTQIWXSD-DNVCBOLYSA-N 1 1 340.427 0.997 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453648399 438686928 /nfs/dbraw/zinc/68/69/28/438686928.db2.gz FKVZXRUZNGWNPN-INIZCTEOSA-N 1 1 344.415 0.918 20 30 ECEDMO Cc1nc(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)ccc1C#N ZINC000453689759 438688825 /nfs/dbraw/zinc/68/88/25/438688825.db2.gz NTISOSQQCNDPAD-UHFFFAOYSA-N 1 1 327.388 0.968 20 30 ECEDMO CCOC(=O)[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC12COC2 ZINC000451144380 438696773 /nfs/dbraw/zinc/69/67/73/438696773.db2.gz XYHDXJQRCXAPFU-CQSZACIVSA-N 1 1 348.403 0.154 20 30 ECEDMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC12COC2 ZINC000451144380 438696774 /nfs/dbraw/zinc/69/67/74/438696774.db2.gz XYHDXJQRCXAPFU-CQSZACIVSA-N 1 1 348.403 0.154 20 30 ECEDMO N#Cc1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)nc1N ZINC000576597159 438790535 /nfs/dbraw/zinc/79/05/35/438790535.db2.gz JOQRRYUDKHFKMG-UHFFFAOYSA-N 1 1 338.419 0.950 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2ncc(C#N)cc2F)CC1=O ZINC000601178479 438827464 /nfs/dbraw/zinc/82/74/64/438827464.db2.gz RXUNUDCRMWGRLT-ZDUSSCGKSA-N 1 1 335.383 0.683 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@@H](CC(N)=O)C3)C2=O)cc1 ZINC000588305573 438829796 /nfs/dbraw/zinc/82/97/96/438829796.db2.gz SGDDWDAXXLMMFY-GXTWGEPZSA-N 1 1 326.356 0.387 20 30 ECEDMO C=CCn1c(CC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000577664335 438862241 /nfs/dbraw/zinc/86/22/41/438862241.db2.gz MZRFIYCFXAVATO-CQSZACIVSA-N 1 1 332.452 0.769 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000589408535 438869673 /nfs/dbraw/zinc/86/96/73/438869673.db2.gz YTZNAKVSYZXMCX-IINYFYTJSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000589408535 438869677 /nfs/dbraw/zinc/86/96/77/438869677.db2.gz YTZNAKVSYZXMCX-IINYFYTJSA-N 1 1 334.351 0.471 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595869158 438875342 /nfs/dbraw/zinc/87/53/42/438875342.db2.gz VQQPRUMFBDLZGF-ZWKOTPCHSA-N 1 1 345.443 0.829 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2cnccc2C#N)CC1 ZINC000515865050 438884695 /nfs/dbraw/zinc/88/46/95/438884695.db2.gz VAMYCZPQXIUCKZ-INIZCTEOSA-N 1 1 333.436 0.014 20 30 ECEDMO Cc1nc(S(=O)(=O)N2CC[NH+](C[C@H](C)CCC#N)CC2)cn1C ZINC000589821261 438887989 /nfs/dbraw/zinc/88/79/89/438887989.db2.gz MSFSZTKTABETER-CYBMUJFWSA-N 1 1 339.465 0.975 20 30 ECEDMO CN(CCC#N)C[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000578006806 438888089 /nfs/dbraw/zinc/88/80/89/438888089.db2.gz UEWGHRBRFJDOFJ-KURKYZTESA-N 1 1 338.496 0.550 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(Nc2cc(C#N)nc(CC)n2)CC1 ZINC000596076735 438921995 /nfs/dbraw/zinc/92/19/95/438921995.db2.gz OITPFPDRFUZIPD-UHFFFAOYSA-N 1 1 330.436 1.313 20 30 ECEDMO C=CCCOCC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000596177427 438935909 /nfs/dbraw/zinc/93/59/09/438935909.db2.gz NTXWYSYYQWZIQN-UHFFFAOYSA-N 1 1 337.464 0.982 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](C(N)=O)C2)c(C#N)c(N[C@H]2C[C@@H](C(N)=O)C2)[nH+]1 ZINC000596290776 438951604 /nfs/dbraw/zinc/95/16/04/438951604.db2.gz TWQZGTJYATVVJH-HUVAQWKNSA-N 1 1 342.403 0.613 20 30 ECEDMO C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000590745887 438953747 /nfs/dbraw/zinc/95/37/47/438953747.db2.gz HRBMJCIJBISGSV-NEWSRXKRSA-N 1 1 345.443 0.897 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC[N@@H+]1CCO ZINC000590783702 438958325 /nfs/dbraw/zinc/95/83/25/438958325.db2.gz ZCRJGPXOFFYXQC-UHFFFAOYSA-N 1 1 344.415 0.606 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC[N@H+]1CCO ZINC000590783702 438958329 /nfs/dbraw/zinc/95/83/29/438958329.db2.gz ZCRJGPXOFFYXQC-UHFFFAOYSA-N 1 1 344.415 0.606 20 30 ECEDMO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000459462757 438967779 /nfs/dbraw/zinc/96/77/79/438967779.db2.gz LRIULMFOVKXSNW-CABCVRRESA-N 1 1 349.479 0.327 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459523382 438972660 /nfs/dbraw/zinc/97/26/60/438972660.db2.gz IYKMJJWGWDYAAJ-RYRKJORJSA-N 1 1 346.427 0.744 20 30 ECEDMO C[C@@H]1NC(=O)N(CC[N@@H+](C)CCOCc2ccc(C#N)cc2)C1=O ZINC000459527778 438972908 /nfs/dbraw/zinc/97/29/08/438972908.db2.gz LAMIDRIXVXAQSU-ZDUSSCGKSA-N 1 1 330.388 0.947 20 30 ECEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)CCC1 ZINC000517885829 438980651 /nfs/dbraw/zinc/98/06/51/438980651.db2.gz BQCPSLCYTDLKOI-GOSISDBHSA-N 1 1 326.400 0.678 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@](O)(CO)C3)C2=O)cc1 ZINC000459627312 438981621 /nfs/dbraw/zinc/98/16/21/438981621.db2.gz DFIVDSXZXZMWQN-WMZOPIPTSA-N 1 1 329.400 0.873 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@](O)(CO)C3)C2=O)cc1 ZINC000459627312 438981628 /nfs/dbraw/zinc/98/16/28/438981628.db2.gz DFIVDSXZXZMWQN-WMZOPIPTSA-N 1 1 329.400 0.873 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000579224879 438989828 /nfs/dbraw/zinc/98/98/28/438989828.db2.gz LTDQVNAEVBXUIV-GJZGRUSLSA-N 1 1 338.452 0.383 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)cc1 ZINC000596694219 438991873 /nfs/dbraw/zinc/99/18/73/438991873.db2.gz MOVTUWDJYNIBKJ-MRXNPFEDSA-N 1 1 326.400 0.729 20 30 ECEDMO N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000602046041 439002869 /nfs/dbraw/zinc/00/28/69/439002869.db2.gz FXLARSAQZBKZOE-CVEARBPZSA-N 1 1 341.415 0.465 20 30 ECEDMO N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000602283124 439058753 /nfs/dbraw/zinc/05/87/53/439058753.db2.gz PATHAJHJLAIULL-HZPDHXFCSA-N 1 1 347.463 0.177 20 30 ECEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000591555375 439022224 /nfs/dbraw/zinc/02/22/24/439022224.db2.gz MSVDTNGCTONVTM-AWEZNQCLSA-N 1 1 332.379 0.866 20 30 ECEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602196553 439035981 /nfs/dbraw/zinc/03/59/81/439035981.db2.gz XKHLIXPGZSZXRR-HNNXBMFYSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCn1cc(C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)nn1 ZINC000521426660 439118438 /nfs/dbraw/zinc/11/84/38/439118438.db2.gz LDIWAJDVEQJTHH-CYBMUJFWSA-N 1 1 341.371 0.211 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CC[C@](O)(CC#N)C1)N1CC[NH+](C)CC1 ZINC000591903877 439107244 /nfs/dbraw/zinc/10/72/44/439107244.db2.gz YGLTZZJUZFXNOH-NVXWUHKLSA-N 1 1 337.468 0.318 20 30 ECEDMO N#CCC[C@H](C#N)C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000591737524 439077381 /nfs/dbraw/zinc/07/73/81/439077381.db2.gz LANABJFOTYWJPP-ZIAGYGMSSA-N 1 1 328.438 0.508 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000597329899 439079267 /nfs/dbraw/zinc/07/92/67/439079267.db2.gz VVZDLHVJMPZMJI-HIFRSBDPSA-N 1 1 339.436 0.553 20 30 ECEDMO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000592151481 439166582 /nfs/dbraw/zinc/16/65/82/439166582.db2.gz MJSPHFQVVCUBBS-QGZVFWFLSA-N 1 1 332.404 0.274 20 30 ECEDMO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000592151481 439166587 /nfs/dbraw/zinc/16/65/87/439166587.db2.gz MJSPHFQVVCUBBS-QGZVFWFLSA-N 1 1 332.404 0.274 20 30 ECEDMO COCCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592155130 439168701 /nfs/dbraw/zinc/16/87/01/439168701.db2.gz YGEBXPRLOWTZRW-WMZOPIPTSA-N 1 1 334.416 0.966 20 30 ECEDMO CCOC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146651 439165738 /nfs/dbraw/zinc/16/57/38/439165738.db2.gz DVKXLFCZWLTPBE-CRAIPNDOSA-N 1 1 348.399 0.953 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000592195388 439177454 /nfs/dbraw/zinc/17/74/54/439177454.db2.gz KADOAPMCSVDWDU-KGLIPLIRSA-N 1 1 331.372 0.743 20 30 ECEDMO CN1CCN(C(=O)C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000602989441 439179068 /nfs/dbraw/zinc/17/90/68/439179068.db2.gz PBHUKFIGWBCACM-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000592206434 439183925 /nfs/dbraw/zinc/18/39/25/439183925.db2.gz GEAYWTGBLYXQQP-ZWUHOBOKSA-N 1 1 325.409 0.285 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000592206434 439183927 /nfs/dbraw/zinc/18/39/27/439183927.db2.gz GEAYWTGBLYXQQP-ZWUHOBOKSA-N 1 1 325.409 0.285 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000567852656 439187352 /nfs/dbraw/zinc/18/73/52/439187352.db2.gz JIMDQZDLLLGZIC-ZOBUZTSGSA-N 1 1 326.437 0.557 20 30 ECEDMO N#Cc1sccc1N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000597936075 439199733 /nfs/dbraw/zinc/19/97/33/439199733.db2.gz JUEIQZRWTLPAON-OAHLLOKOSA-N 1 1 345.472 0.658 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000490616023 439279890 /nfs/dbraw/zinc/27/98/90/439279890.db2.gz HWQOKBSBEMVQJE-ZDUSSCGKSA-N 1 1 328.372 0.514 20 30 ECEDMO C=CCCCS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000489837851 439243206 /nfs/dbraw/zinc/24/32/06/439243206.db2.gz HOAHKXRRCNVTFA-GOOCMWNKSA-N 1 1 343.493 0.956 20 30 ECEDMO C=CCCCS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000489837851 439243209 /nfs/dbraw/zinc/24/32/09/439243209.db2.gz HOAHKXRRCNVTFA-GOOCMWNKSA-N 1 1 343.493 0.956 20 30 ECEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000603398585 439254288 /nfs/dbraw/zinc/25/42/88/439254288.db2.gz BCGADWQSBYWIEJ-UHFFFAOYSA-N 1 1 336.461 0.864 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)OCCn2cc[nH+]c2C)cc1 ZINC000490925620 439314103 /nfs/dbraw/zinc/31/41/03/439314103.db2.gz WRIFAJANSJMJAA-UHFFFAOYSA-N 1 1 347.396 0.960 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(O)(c3ccccc3)CC2)CC1 ZINC000490974114 439319269 /nfs/dbraw/zinc/31/92/69/439319269.db2.gz NPBDOLRCZWTZTL-UHFFFAOYSA-N 1 1 341.455 0.747 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(Cc2nc([C@H](C)OCC)no2)CC1 ZINC000491069228 439327944 /nfs/dbraw/zinc/32/79/44/439327944.db2.gz UWXSIIUCLHKDSI-AWEZNQCLSA-N 1 1 349.435 0.424 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000491067854 439328874 /nfs/dbraw/zinc/32/88/74/439328874.db2.gz KNCDMUOZSSFZEQ-AWEZNQCLSA-N 1 1 345.465 0.051 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)COC[C@@H]3CCCO3)C2)nc1 ZINC000582158370 439297596 /nfs/dbraw/zinc/29/75/96/439297596.db2.gz YYMPFJRBXQYVJM-ZACQAIPSSA-N 1 1 347.415 0.963 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CCC([NH+]3CCNCC3)CC2)nn1 ZINC000582235841 439306404 /nfs/dbraw/zinc/30/64/04/439306404.db2.gz QXQHYTJTQUGXRY-UHFFFAOYSA-N 1 1 332.452 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000490891282 439306505 /nfs/dbraw/zinc/30/65/05/439306505.db2.gz CIGRORYYCFJBOB-CXAGYDPISA-N 1 1 333.388 0.348 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000490893396 439306643 /nfs/dbraw/zinc/30/66/43/439306643.db2.gz UALSXANPXODISC-CYBMUJFWSA-N 1 1 335.404 0.738 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000491166474 439343049 /nfs/dbraw/zinc/34/30/49/439343049.db2.gz RTLWKOCDRLPBPR-UHFFFAOYSA-N 1 1 329.382 0.045 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000491180285 439344241 /nfs/dbraw/zinc/34/42/41/439344241.db2.gz KNODBMSZSUPUGL-KRWDZBQOSA-N 1 1 349.862 0.610 20 30 ECEDMO CN1C[C@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)CCC1=O ZINC000528513225 439344807 /nfs/dbraw/zinc/34/48/07/439344807.db2.gz RZAJZQHXVRUEFU-CQSZACIVSA-N 1 1 339.395 0.839 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1nccn1-c1ccccc1 ZINC000491266095 439358141 /nfs/dbraw/zinc/35/81/41/439358141.db2.gz NPBUWKQELDHXTO-UHFFFAOYSA-N 1 1 339.399 0.882 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000491338854 439368270 /nfs/dbraw/zinc/36/82/70/439368270.db2.gz LWFBXAZDTZPVTJ-IYBDPMFKSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000491408273 439380066 /nfs/dbraw/zinc/38/00/66/439380066.db2.gz VCUPNJZATZSPPL-UHFFFAOYSA-N 1 1 340.427 0.694 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000491554394 439405676 /nfs/dbraw/zinc/40/56/76/439405676.db2.gz IVHLVJSTJMCEMB-UHFFFAOYSA-N 1 1 338.495 0.074 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000491554394 439405682 /nfs/dbraw/zinc/40/56/82/439405682.db2.gz IVHLVJSTJMCEMB-UHFFFAOYSA-N 1 1 338.495 0.074 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000491618774 439411415 /nfs/dbraw/zinc/41/14/15/439411415.db2.gz DWVNUCFVXPZCNE-UHFFFAOYSA-N 1 1 344.458 0.324 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000491618774 439411428 /nfs/dbraw/zinc/41/14/28/439411428.db2.gz DWVNUCFVXPZCNE-UHFFFAOYSA-N 1 1 344.458 0.324 20 30 ECEDMO C#C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000491622393 439412563 /nfs/dbraw/zinc/41/25/63/439412563.db2.gz HECYJICNQZQLCU-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599396617 439455427 /nfs/dbraw/zinc/45/54/27/439455427.db2.gz RUJMFQPSQKKXCY-RDJZCZTQSA-N 1 1 333.432 0.950 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@@]2(CO)CCOc3ccccc32)CC1 ZINC000491671489 439424592 /nfs/dbraw/zinc/42/45/92/439424592.db2.gz FUHCUESJMCBLAU-LJQANCHMSA-N 1 1 343.427 0.024 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(OC)(C(F)(F)F)CC2)CC1 ZINC000491699643 439430712 /nfs/dbraw/zinc/43/07/12/439430712.db2.gz UUGFJAIOMBKLOY-UHFFFAOYSA-N 1 1 347.381 0.807 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000491714131 439433523 /nfs/dbraw/zinc/43/35/23/439433523.db2.gz FMNYKUHDBJLNJJ-WMZOPIPTSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000491714131 439433529 /nfs/dbraw/zinc/43/35/29/439433529.db2.gz FMNYKUHDBJLNJJ-WMZOPIPTSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccccc1Cn1cncn1 ZINC000491708480 439433716 /nfs/dbraw/zinc/43/37/16/439433716.db2.gz OOQSMQYKISIIIW-UHFFFAOYSA-N 1 1 347.444 0.560 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](CC)C1 ZINC000491751067 439441726 /nfs/dbraw/zinc/44/17/26/439441726.db2.gz XGPFQPAPAIAKNT-KGLIPLIRSA-N 1 1 329.466 0.549 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](CC)C1 ZINC000491751067 439441733 /nfs/dbraw/zinc/44/17/33/439441733.db2.gz XGPFQPAPAIAKNT-KGLIPLIRSA-N 1 1 329.466 0.549 20 30 ECEDMO C#C[C@@H](CC)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000491761013 439444021 /nfs/dbraw/zinc/44/40/21/439444021.db2.gz UDGUYFVEUHLESD-HNNXBMFYSA-N 1 1 330.436 0.700 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000491760469 439444658 /nfs/dbraw/zinc/44/46/58/439444658.db2.gz QKGOQUYYPXZMKC-BBRMVZONSA-N 1 1 332.448 0.640 20 30 ECEDMO N#CC1(C[C@@H](O)C[NH+]2CCN(c3ncc(F)cn3)CC2)CCOCC1 ZINC000599365355 439446103 /nfs/dbraw/zinc/44/61/03/439446103.db2.gz ZPLXHUVNRBOMKI-OAHLLOKOSA-N 1 1 349.410 0.809 20 30 ECEDMO C#CC[NH+]1CCC(c2nc(Cn3nc4ccccn4c3=O)no2)CC1 ZINC000491780267 439448355 /nfs/dbraw/zinc/44/83/55/439448355.db2.gz KLLZZVLYEDNKOD-UHFFFAOYSA-N 1 1 338.371 0.740 20 30 ECEDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599385796 439452151 /nfs/dbraw/zinc/45/21/51/439452151.db2.gz NBMVXCFPIYMVDL-LSDHHAIUSA-N 1 1 344.477 0.957 20 30 ECEDMO CCC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000599266181 439409385 /nfs/dbraw/zinc/40/93/85/439409385.db2.gz ZXYQZVIDKZPMLN-LSDHHAIUSA-N 1 1 344.477 0.957 20 30 ECEDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599434731 439467380 /nfs/dbraw/zinc/46/73/80/439467380.db2.gz GWAPCYWXILJOER-CABCVRRESA-N 1 1 338.452 0.793 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000491815010 439458225 /nfs/dbraw/zinc/45/82/25/439458225.db2.gz FEWWEYVPQQCHGO-CQSZACIVSA-N 1 1 329.466 0.550 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000491815010 439458230 /nfs/dbraw/zinc/45/82/30/439458230.db2.gz FEWWEYVPQQCHGO-CQSZACIVSA-N 1 1 329.466 0.550 20 30 ECEDMO C#C[C@H](C)[N@@H+](C)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000491820379 439458704 /nfs/dbraw/zinc/45/87/04/439458704.db2.gz XLKQDCBTGCBTHR-ZDUSSCGKSA-N 1 1 337.445 0.336 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000599689100 439535246 /nfs/dbraw/zinc/53/52/46/439535246.db2.gz DFQPGZFGUFWSIO-CHWSQXEVSA-N 1 1 342.465 0.199 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000599689100 439535250 /nfs/dbraw/zinc/53/52/50/439535250.db2.gz DFQPGZFGUFWSIO-CHWSQXEVSA-N 1 1 342.465 0.199 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)n(CCC#N)n1 ZINC000532610992 439517425 /nfs/dbraw/zinc/51/74/25/439517425.db2.gz FUHWHJAKSWWAFF-AWEZNQCLSA-N 1 1 346.435 0.842 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)n(CCC#N)n1 ZINC000532610992 439517430 /nfs/dbraw/zinc/51/74/30/439517430.db2.gz FUHWHJAKSWWAFF-AWEZNQCLSA-N 1 1 346.435 0.842 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC2CCN(CC#N)CC2)C1 ZINC000609336015 439566188 /nfs/dbraw/zinc/56/61/88/439566188.db2.gz ODWWKHHRGGDAEE-INIZCTEOSA-N 1 1 337.468 0.630 20 30 ECEDMO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594478641 439568513 /nfs/dbraw/zinc/56/85/13/439568513.db2.gz UQHAPBDYGFSGDG-UONOGXRCSA-N 1 1 339.392 0.278 20 30 ECEDMO CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000609552059 439576408 /nfs/dbraw/zinc/57/64/08/439576408.db2.gz GPIQRGBOIYEGSL-HZPDHXFCSA-N 1 1 331.416 0.950 20 30 ECEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1COCCN1 ZINC000599932472 439577537 /nfs/dbraw/zinc/57/75/37/439577537.db2.gz VHIACTDJYTWCBB-KRWDZBQOSA-N 1 1 345.447 0.620 20 30 ECEDMO C=CCn1cc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nn1 ZINC000584466159 439591729 /nfs/dbraw/zinc/59/17/29/439591729.db2.gz XAQWHFRJKWUPKA-HZPDHXFCSA-N 1 1 348.451 0.907 20 30 ECEDMO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000610000653 439595590 /nfs/dbraw/zinc/59/55/90/439595590.db2.gz NZYBUWNYIHNIPN-IAGOWNOFSA-N 1 1 328.416 0.881 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594792417 439613294 /nfs/dbraw/zinc/61/32/94/439613294.db2.gz QPDKDWXTPMVLNY-CQSZACIVSA-N 1 1 346.497 0.803 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586850607 439663038 /nfs/dbraw/zinc/66/30/38/439663038.db2.gz VYXAOMIWISGELX-UHFFFAOYSA-N 1 1 336.367 0.008 20 30 ECEDMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC1 ZINC000595185370 439671441 /nfs/dbraw/zinc/67/14/41/439671441.db2.gz HYMQLQPIOMGGFZ-QGZVFWFLSA-N 1 1 336.436 0.318 20 30 ECEDMO CN(CC(=O)NC1(C#N)CCCCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000611522457 439703439 /nfs/dbraw/zinc/70/34/39/439703439.db2.gz AEQWPPDVXMYPBP-UHFFFAOYSA-N 1 1 335.452 0.035 20 30 ECEDMO N#Cc1cccc(-n2ccc(C(=O)NCC[N@@H+]3CC[C@H](O)C3)n2)c1 ZINC000600809129 439706056 /nfs/dbraw/zinc/70/60/56/439706056.db2.gz UCFOTTTXPMFKDQ-HNNXBMFYSA-N 1 1 325.372 0.540 20 30 ECEDMO COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175834 439678252 /nfs/dbraw/zinc/67/82/52/439678252.db2.gz YCZYNMIAPDJCGL-OAHLLOKOSA-N 1 1 349.431 0.975 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000613629299 439760184 /nfs/dbraw/zinc/76/01/84/439760184.db2.gz IPSXFKMSKFOKHX-QGZVFWFLSA-N 1 1 330.432 0.957 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3nc(N)n[nH]3)CC2)c1 ZINC000595487442 439734271 /nfs/dbraw/zinc/73/42/71/439734271.db2.gz JCGREBIVDBXKKP-UHFFFAOYSA-N 1 1 339.403 0.754 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000612659139 439734732 /nfs/dbraw/zinc/73/47/32/439734732.db2.gz PELRLWPTTNAOEN-HZPDHXFCSA-N 1 1 325.453 0.810 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CCN(CC#N)CC1 ZINC000614813138 439787598 /nfs/dbraw/zinc/78/75/98/439787598.db2.gz BNGBJXLRPXPJCV-AWEZNQCLSA-N 1 1 337.468 0.461 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000617413475 439879941 /nfs/dbraw/zinc/87/99/41/439879941.db2.gz LROFDICOIAIGDQ-AWEZNQCLSA-N 1 1 337.445 0.975 20 30 ECEDMO C=CCOCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641817660 439921171 /nfs/dbraw/zinc/92/11/71/439921171.db2.gz XKIJBHGITVPVMX-MRXNPFEDSA-N 1 1 340.468 0.285 20 30 ECEDMO C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000636878902 440080132 /nfs/dbraw/zinc/08/01/32/440080132.db2.gz YRJUYBDBLDFODF-ZIAGYGMSSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000636878902 440080139 /nfs/dbraw/zinc/08/01/39/440080139.db2.gz YRJUYBDBLDFODF-ZIAGYGMSSA-N 1 1 325.453 0.930 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000618871731 440171150 /nfs/dbraw/zinc/17/11/50/440171150.db2.gz CBHDFVDMYRQDBA-BETUJISGSA-N 1 1 328.372 0.525 20 30 ECEDMO C=CCN(C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H](C)COC ZINC000664062070 440228518 /nfs/dbraw/zinc/22/85/18/440228518.db2.gz LWDGMSVPZYLUQT-CQSZACIVSA-N 1 1 340.468 0.772 20 30 ECEDMO C=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nn1 ZINC000648391692 440289941 /nfs/dbraw/zinc/28/99/41/440289941.db2.gz WBFAWGILZBVQHB-AGUYFDCRSA-N 1 1 346.435 0.278 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000649187682 440410542 /nfs/dbraw/zinc/41/05/42/440410542.db2.gz VFNHYMCCJUMLJU-SFHVURJKSA-N 1 1 329.444 0.938 20 30 ECEDMO C=CCc1ccc(OCC(=O)NCC[N@H+]2CC[C@@H](O)C2)c(OC)c1 ZINC000629178579 440619895 /nfs/dbraw/zinc/61/98/95/440619895.db2.gz AGLQFTPROXMKDO-OAHLLOKOSA-N 1 1 334.416 0.985 20 30 ECEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639616947 440749655 /nfs/dbraw/zinc/74/96/55/440749655.db2.gz NNDDRYQZNQQJTO-CQSZACIVSA-N 1 1 329.466 0.567 20 30 ECEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639616947 440749657 /nfs/dbraw/zinc/74/96/57/440749657.db2.gz NNDDRYQZNQQJTO-CQSZACIVSA-N 1 1 329.466 0.567 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000645141780 440753550 /nfs/dbraw/zinc/75/35/50/440753550.db2.gz LZRWJOKXIFPSLS-QLFBSQMISA-N 1 1 325.453 0.948 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000645141780 440753554 /nfs/dbraw/zinc/75/35/54/440753554.db2.gz LZRWJOKXIFPSLS-QLFBSQMISA-N 1 1 325.453 0.948 20 30 ECEDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000639846954 440802313 /nfs/dbraw/zinc/80/23/13/440802313.db2.gz DOAKKBQYYHNHLS-UGSOOPFHSA-N 1 1 328.368 0.104 20 30 ECEDMO O=C(NCC#CCO)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635900862 441026781 /nfs/dbraw/zinc/02/67/81/441026781.db2.gz XPRPFQKJPWIRRC-MJGOQNOKSA-N 1 1 328.412 0.637 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@]3(C)CCCS3(=O)=O)C2)C1 ZINC001041736830 782086094 /nfs/dbraw/zinc/08/60/94/782086094.db2.gz ZENHEEQYCBHKET-DLBZAZTESA-N 1 1 338.473 0.901 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@]3(C)CO)CC2)o1 ZINC000544759799 322105358 /nfs/dbraw/zinc/10/53/58/322105358.db2.gz BVKZDWLBJSIDIL-QGZVFWFLSA-N 1 1 347.419 0.350 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(CC(=O)NCc3cccc(C#N)c3)[C@H]2C1 ZINC000550215577 322166684 /nfs/dbraw/zinc/16/66/84/322166684.db2.gz BPUXJEAGYPBGMW-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO CCn1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1=O ZINC000563003398 322292466 /nfs/dbraw/zinc/29/24/66/322292466.db2.gz RFFMCYVIYVVLGM-UHFFFAOYSA-N 1 1 346.412 0.698 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)ncc1C#N ZINC000563385944 322313060 /nfs/dbraw/zinc/31/30/60/322313060.db2.gz MERIQXDCSSLETF-CQSZACIVSA-N 1 1 329.404 0.999 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)ncc1C#N ZINC000563385944 322313061 /nfs/dbraw/zinc/31/30/61/322313061.db2.gz MERIQXDCSSLETF-CQSZACIVSA-N 1 1 329.404 0.999 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000566286520 322521598 /nfs/dbraw/zinc/52/15/98/322521598.db2.gz LLPAJDQEEBWHRU-UHFFFAOYSA-N 1 1 340.427 0.870 20 30 ECEDMO CC(C)N1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1=O ZINC000579110934 322886354 /nfs/dbraw/zinc/88/63/54/322886354.db2.gz LQVSMHBTIRQVRR-AWEZNQCLSA-N 1 1 335.429 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)C1 ZINC001041765744 782158126 /nfs/dbraw/zinc/15/81/26/782158126.db2.gz RHSPGEBJMCYDGY-QAPCUYQASA-N 1 1 343.431 0.486 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H](CC)CO)CC2)c1 ZINC000177909059 527444785 /nfs/dbraw/zinc/44/47/85/527444785.db2.gz LFZZRVGMPIJOGL-INIZCTEOSA-N 1 1 329.400 0.522 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000329364726 546021403 /nfs/dbraw/zinc/02/14/03/546021403.db2.gz JRBMZCDFFRNEPR-OLZOCXBDSA-N 1 1 339.465 0.676 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCC2CCSCC2)CC1 ZINC000329366218 546022151 /nfs/dbraw/zinc/02/21/51/546022151.db2.gz GUUDQHRBDBXXSN-UHFFFAOYSA-N 1 1 328.482 0.797 20 30 ECEDMO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329379639 546022334 /nfs/dbraw/zinc/02/23/34/546022334.db2.gz PMBWUWDJRZLPMV-ZIAGYGMSSA-N 1 1 346.497 0.393 20 30 ECEDMO C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000329436236 546024158 /nfs/dbraw/zinc/02/41/58/546024158.db2.gz JUCQEBORIDUSQN-UONOGXRCSA-N 1 1 326.441 0.612 20 30 ECEDMO CC(C)N1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000329514633 546026322 /nfs/dbraw/zinc/02/63/22/546026322.db2.gz OETGECDFZRWMHL-OAHLLOKOSA-N 1 1 339.484 0.337 20 30 ECEDMO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000331276692 546043813 /nfs/dbraw/zinc/04/38/13/546043813.db2.gz CPRWGKXECAIJSU-BDAKNGLRSA-N 1 1 348.329 0.965 20 30 ECEDMO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000331276692 546043818 /nfs/dbraw/zinc/04/38/18/546043818.db2.gz CPRWGKXECAIJSU-BDAKNGLRSA-N 1 1 348.329 0.965 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc(CC#N)c1 ZINC000619481845 546331865 /nfs/dbraw/zinc/33/18/65/546331865.db2.gz NNHDHFLVEYRZET-UHFFFAOYSA-N 1 1 338.477 0.867 20 30 ECEDMO CCCC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(N)=O ZINC000625086528 547019757 /nfs/dbraw/zinc/01/97/57/547019757.db2.gz IURGTUMDDGBAKM-UHFFFAOYSA-N 1 1 327.384 0.873 20 30 ECEDMO CCCC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(N)=O ZINC000625086528 547019759 /nfs/dbraw/zinc/01/97/59/547019759.db2.gz IURGTUMDDGBAKM-UHFFFAOYSA-N 1 1 327.384 0.873 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000626306906 547331769 /nfs/dbraw/zinc/33/17/69/547331769.db2.gz DQSCHACBLPYFHN-OAHLLOKOSA-N 1 1 332.404 0.791 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2O)CC1 ZINC000668368469 547636544 /nfs/dbraw/zinc/63/65/44/547636544.db2.gz ACFVQCBAQZRTTR-UHFFFAOYSA-N 1 1 339.417 0.420 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000668691944 547728079 /nfs/dbraw/zinc/72/80/79/547728079.db2.gz WCJRURDCEPTCCA-KRWDZBQOSA-N 1 1 338.496 0.847 20 30 ECEDMO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000669055386 547821016 /nfs/dbraw/zinc/82/10/16/547821016.db2.gz CCITWHHBJILFOH-GJZGRUSLSA-N 1 1 349.435 0.463 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638911 548365504 /nfs/dbraw/zinc/36/55/04/548365504.db2.gz VVXCXQMOVULWDX-HNNXBMFYSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638911 548365506 /nfs/dbraw/zinc/36/55/06/548365506.db2.gz VVXCXQMOVULWDX-HNNXBMFYSA-N 1 1 336.480 0.696 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)nc1 ZINC001078030283 782175192 /nfs/dbraw/zinc/17/51/92/782175192.db2.gz RCXWCWQDUCJQPS-QZTJIDSGSA-N 1 1 343.427 0.655 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)cn1 ZINC001078032595 782181073 /nfs/dbraw/zinc/18/10/73/782181073.db2.gz WJSIDEKQTACPKO-BRWVUGGUSA-N 1 1 329.400 0.407 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3nc4n(c3=O)CCCC4)C2)C1 ZINC001041778400 782184958 /nfs/dbraw/zinc/18/49/58/782184958.db2.gz XWBZQQUULULRJE-SFHVURJKSA-N 1 1 345.447 0.492 20 30 ECEDMO N#Cc1ccc(OCCC[N@H+](CCO)CCN2CCOCC2)cc1 ZINC000749406971 579337991 /nfs/dbraw/zinc/33/79/91/579337991.db2.gz UVHCMPAYPKATOV-UHFFFAOYSA-N 1 1 333.432 0.954 20 30 ECEDMO C[NH+]1CCN(c2ncc(C=NNC(=S)NCC3CCC3)cn2)CC1 ZINC000755696892 579437391 /nfs/dbraw/zinc/43/73/91/579437391.db2.gz CGRDQCUMJJUMMF-UHFFFAOYSA-N 1 1 347.492 0.827 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000725809317 578134008 /nfs/dbraw/zinc/13/40/08/578134008.db2.gz RUQITRHXTZSAKV-LBPRGKRZSA-N 1 1 340.424 0.845 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000725809317 578134009 /nfs/dbraw/zinc/13/40/09/578134009.db2.gz RUQITRHXTZSAKV-LBPRGKRZSA-N 1 1 340.424 0.845 20 30 ECEDMO C#CCNC(=O)C1CCN(C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000727931139 578286304 /nfs/dbraw/zinc/28/63/04/578286304.db2.gz JAYKEHLAUCSRGO-LJQANCHMSA-N 1 1 343.471 0.941 20 30 ECEDMO C#CCNC(=O)C1CCN(C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000727931139 578286305 /nfs/dbraw/zinc/28/63/05/578286305.db2.gz JAYKEHLAUCSRGO-LJQANCHMSA-N 1 1 343.471 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000730095967 578303219 /nfs/dbraw/zinc/30/32/19/578303219.db2.gz VUGHRUGKLMRNJV-HNNXBMFYSA-N 1 1 335.429 0.090 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000730095967 578303221 /nfs/dbraw/zinc/30/32/21/578303221.db2.gz VUGHRUGKLMRNJV-HNNXBMFYSA-N 1 1 335.429 0.090 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)NCCCC)CC1 ZINC000730273132 578304236 /nfs/dbraw/zinc/30/42/36/578304236.db2.gz WWTNFRKHYWUEHL-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)NCCCC)CC1 ZINC000730273132 578304237 /nfs/dbraw/zinc/30/42/37/578304237.db2.gz WWTNFRKHYWUEHL-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C#CCNC(=O)C[N@H+](Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000731030570 578310244 /nfs/dbraw/zinc/31/02/44/578310244.db2.gz QJEHZQJNUGFFQQ-QGZVFWFLSA-N 1 1 329.444 0.959 20 30 ECEDMO C#CCNC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000731030570 578310245 /nfs/dbraw/zinc/31/02/45/578310245.db2.gz QJEHZQJNUGFFQQ-QGZVFWFLSA-N 1 1 329.444 0.959 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000731122948 578310511 /nfs/dbraw/zinc/31/05/11/578310511.db2.gz VLJSMPCINDKWCW-UHFFFAOYSA-N 1 1 345.399 0.476 20 30 ECEDMO CN1CC[NH+](C(C)(C)CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000732700580 578328888 /nfs/dbraw/zinc/32/88/88/578328888.db2.gz KHIRQINRSXVJNP-INIZCTEOSA-N 1 1 348.495 0.394 20 30 ECEDMO N#C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCN1Cc1ccccc1 ZINC000733992928 578351200 /nfs/dbraw/zinc/35/12/00/578351200.db2.gz ORQCVRNALBGYIE-GOSISDBHSA-N 1 1 342.443 0.945 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000799071129 578656878 /nfs/dbraw/zinc/65/68/78/578656878.db2.gz ZCGJWFFTOVPKFP-QZTJIDSGSA-N 1 1 329.444 0.866 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(C#N)cn2)CC1 ZINC000780436750 578693534 /nfs/dbraw/zinc/69/35/34/578693534.db2.gz CHAQAEPSJHIHBU-UHFFFAOYSA-N 1 1 344.419 0.305 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc(C#N)cn1 ZINC000780641984 578698293 /nfs/dbraw/zinc/69/82/93/578698293.db2.gz XSWCWCFTFXIUMC-AWEZNQCLSA-N 1 1 330.436 0.778 20 30 ECEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000785028998 578762250 /nfs/dbraw/zinc/76/22/50/578762250.db2.gz TVCMPPUTARHCAS-JSGCOSHPSA-N 1 1 330.392 0.288 20 30 ECEDMO COCC[N@@H+](C)CCCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000785745916 578774258 /nfs/dbraw/zinc/77/42/58/578774258.db2.gz OZDUPANZJWIWID-UHFFFAOYSA-N 1 1 326.422 0.586 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NCCC[N@H+](C)CCOC ZINC000788913118 578845289 /nfs/dbraw/zinc/84/52/89/578845289.db2.gz DDNLMEIBEPQOLZ-UHFFFAOYSA-N 1 1 336.230 0.096 20 30 ECEDMO COCCN(C)c1ccc(C=[NH+]N[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000790138490 578868684 /nfs/dbraw/zinc/86/86/84/578868684.db2.gz NXESCMKDTOHHKD-CYBMUJFWSA-N 1 1 326.422 0.275 20 30 ECEDMO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]21 ZINC000793699916 578935844 /nfs/dbraw/zinc/93/58/44/578935844.db2.gz JSOMATJDZZJHJX-CTASWTNQSA-N 1 1 339.351 0.541 20 30 ECEDMO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]21 ZINC000793699916 578935846 /nfs/dbraw/zinc/93/58/46/578935846.db2.gz JSOMATJDZZJHJX-CTASWTNQSA-N 1 1 339.351 0.541 20 30 ECEDMO C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCCO1 ZINC000773311792 579224536 /nfs/dbraw/zinc/22/45/36/579224536.db2.gz OFNVVOUSWGEQGZ-PVAVHDDUSA-N 1 1 334.464 0.635 20 30 ECEDMO C#C[C@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000773311792 579224537 /nfs/dbraw/zinc/22/45/37/579224537.db2.gz OFNVVOUSWGEQGZ-PVAVHDDUSA-N 1 1 334.464 0.635 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@@H](C)[C@H]2CC)c1=O ZINC000774618031 579252327 /nfs/dbraw/zinc/25/23/27/579252327.db2.gz HYWLPROYJWKFDE-ZIAGYGMSSA-N 1 1 334.420 0.622 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)[C@@H]1CCCO1 ZINC000775801519 579271653 /nfs/dbraw/zinc/27/16/53/579271653.db2.gz URNNOTRIHGLTHO-AEFFLSMTSA-N 1 1 327.428 0.936 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H]1CCCO1 ZINC000776229963 579278252 /nfs/dbraw/zinc/27/82/52/579278252.db2.gz HVAMSJOVHHHQES-HRCADAONSA-N 1 1 348.447 0.115 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000776593241 579285477 /nfs/dbraw/zinc/28/54/77/579285477.db2.gz UELCZBOFSXCEND-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000761216865 579524558 /nfs/dbraw/zinc/52/45/58/579524558.db2.gz RBCPLVLZEPALRJ-HNNXBMFYSA-N 1 1 327.388 0.772 20 30 ECEDMO CN(CCC#N)c1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000761216865 579524559 /nfs/dbraw/zinc/52/45/59/579524559.db2.gz RBCPLVLZEPALRJ-HNNXBMFYSA-N 1 1 327.388 0.772 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1 ZINC000742193883 579781608 /nfs/dbraw/zinc/78/16/08/579781608.db2.gz CZKGZIPVEWKIKW-CYBMUJFWSA-N 1 1 337.445 0.927 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000742193883 579781609 /nfs/dbraw/zinc/78/16/09/579781609.db2.gz CZKGZIPVEWKIKW-CYBMUJFWSA-N 1 1 337.445 0.927 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000742195305 579781684 /nfs/dbraw/zinc/78/16/84/579781684.db2.gz GLHPMEGTBKVIJT-ZDUSSCGKSA-N 1 1 335.429 0.374 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000742195305 579781685 /nfs/dbraw/zinc/78/16/85/579781685.db2.gz GLHPMEGTBKVIJT-ZDUSSCGKSA-N 1 1 335.429 0.374 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000746217746 579833280 /nfs/dbraw/zinc/83/32/80/579833280.db2.gz BSXFBUBQMDWBTQ-MOPGFXCFSA-N 1 1 341.455 0.619 20 30 ECEDMO CN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000746249573 579834283 /nfs/dbraw/zinc/83/42/83/579834283.db2.gz JQHQONCSPQZDQM-VLUKHXRESA-N 1 1 332.404 0.598 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000835136444 588904718 /nfs/dbraw/zinc/90/47/18/588904718.db2.gz QHXQGFBGAJDLKK-HOTGVXAUSA-N 1 1 342.399 0.785 20 30 ECEDMO C#CC[C@@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C(=O)OC ZINC000837943823 588966463 /nfs/dbraw/zinc/96/64/63/588966463.db2.gz WQCAQFIEDNBEQY-LLVKDONJSA-N 1 1 329.360 0.329 20 30 ECEDMO C#Cc1ccc(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000841908572 589005132 /nfs/dbraw/zinc/00/51/32/589005132.db2.gz QDUJIYSXZIEENB-QGZVFWFLSA-N 1 1 340.427 0.774 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896540950 586251029 /nfs/dbraw/zinc/25/10/29/586251029.db2.gz ZDPCOEFBLGBGDL-CXAGYDPISA-N 1 1 329.448 0.988 20 30 ECEDMO C[C@H](NC(=O)Cc1cccc(OCC#N)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896550985 586253078 /nfs/dbraw/zinc/25/30/78/586253078.db2.gz BJAGDRBQPNHNEJ-WMLDXEAASA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@H](NC(=O)Cc1cccc(OCC#N)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896550985 586253080 /nfs/dbraw/zinc/25/30/80/586253080.db2.gz BJAGDRBQPNHNEJ-WMLDXEAASA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@H](NC(=O)Cc1cccc(OCC#N)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896550985 586253081 /nfs/dbraw/zinc/25/30/81/586253081.db2.gz BJAGDRBQPNHNEJ-WMLDXEAASA-N 1 1 330.432 0.882 20 30 ECEDMO C#CC1(O)CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000892772708 586289454 /nfs/dbraw/zinc/28/94/54/586289454.db2.gz PDXHVDWZMDZWIR-QGZVFWFLSA-N 1 1 327.428 0.941 20 30 ECEDMO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(=O)n(C)c1=O ZINC000897591447 586348112 /nfs/dbraw/zinc/34/81/12/586348112.db2.gz LNAJJLHAGHTXIT-INIZCTEOSA-N 1 1 340.383 0.529 20 30 ECEDMO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(=O)n(C)c1=O ZINC000897591447 586348114 /nfs/dbraw/zinc/34/81/14/586348114.db2.gz LNAJJLHAGHTXIT-INIZCTEOSA-N 1 1 340.383 0.529 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)cc1 ZINC000897778926 586369836 /nfs/dbraw/zinc/36/98/36/586369836.db2.gz JJWDGOKAHLZMTK-KRWDZBQOSA-N 1 1 343.427 0.577 20 30 ECEDMO C#CC1(O)CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000894111047 586375338 /nfs/dbraw/zinc/37/53/38/586375338.db2.gz XPWOWOWEHSUTII-MRXNPFEDSA-N 1 1 329.400 0.143 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000900175940 586530725 /nfs/dbraw/zinc/53/07/25/586530725.db2.gz FOMBQAQXLVPQCB-SCLBCKFNSA-N 1 1 346.406 0.801 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000843251190 589056631 /nfs/dbraw/zinc/05/66/31/589056631.db2.gz RGYZVQNBZZAJJR-HNNXBMFYSA-N 1 1 335.448 0.163 20 30 ECEDMO CC(C)N1CC[NH+](CCC(=O)NCC2CCN(CC#N)CC2)CC1 ZINC000900827038 586667869 /nfs/dbraw/zinc/66/78/69/586667869.db2.gz DJVRCUHBKOWUMO-UHFFFAOYSA-N 1 1 335.496 0.754 20 30 ECEDMO C#CCOc1cccc(Cl)c1C[NH2+]CCNS(=O)(=O)N(C)C ZINC000839089815 586837429 /nfs/dbraw/zinc/83/74/29/586837429.db2.gz FQTKNYKKWBVUNW-UHFFFAOYSA-N 1 1 345.852 0.838 20 30 ECEDMO C=CCN(C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C(C)C ZINC000839246245 586843740 /nfs/dbraw/zinc/84/37/40/586843740.db2.gz HARVBWVSUZPJSU-INIZCTEOSA-N 1 1 336.480 0.648 20 30 ECEDMO CCN1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1=O ZINC000905551983 586902439 /nfs/dbraw/zinc/90/24/39/586902439.db2.gz PJTFUKBFEWOKQX-OAHLLOKOSA-N 1 1 335.429 0.932 20 30 ECEDMO C#C[C@@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@@H]1CCCO1 ZINC000775346970 586916946 /nfs/dbraw/zinc/91/69/46/586916946.db2.gz KQBOKAAPISLMHJ-OCCSQVGLSA-N 1 1 327.388 0.945 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000801917735 587005876 /nfs/dbraw/zinc/00/58/76/587005876.db2.gz NNACFEQRZNERNY-ZDUSSCGKSA-N 1 1 325.409 0.649 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000801917735 587005877 /nfs/dbraw/zinc/00/58/77/587005877.db2.gz NNACFEQRZNERNY-ZDUSSCGKSA-N 1 1 325.409 0.649 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCO[C@H](C)C#N)C1 ZINC000801916801 587006100 /nfs/dbraw/zinc/00/61/00/587006100.db2.gz FMYIJOSROPQONH-ZIAGYGMSSA-N 1 1 325.409 0.649 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCO[C@H](C)C#N)C1 ZINC000801916801 587006104 /nfs/dbraw/zinc/00/61/04/587006104.db2.gz FMYIJOSROPQONH-ZIAGYGMSSA-N 1 1 325.409 0.649 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000803178100 587055056 /nfs/dbraw/zinc/05/50/56/587055056.db2.gz PBVNOMLRRGKHKD-AWEZNQCLSA-N 1 1 342.399 0.536 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCC[NH+]1CCOCC1 ZINC000803510696 587062462 /nfs/dbraw/zinc/06/24/62/587062462.db2.gz NLXNTVQBJJMBIC-ZDUSSCGKSA-N 1 1 341.408 0.432 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000808159711 587146536 /nfs/dbraw/zinc/14/65/36/587146536.db2.gz JDWMGQUMVYZZHC-LSDHHAIUSA-N 1 1 328.368 0.434 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000814145234 587270765 /nfs/dbraw/zinc/27/07/65/587270765.db2.gz MDYDAWBGPUKDIN-HOCLYGCPSA-N 1 1 347.440 0.374 20 30 ECEDMO C=C[C@@H](O)C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000814551590 587276850 /nfs/dbraw/zinc/27/68/50/587276850.db2.gz VPMWQVLDGNAZGH-CQSZACIVSA-N 1 1 340.420 0.228 20 30 ECEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)C2)C1 ZINC000815831049 587300117 /nfs/dbraw/zinc/30/01/17/587300117.db2.gz WQEOXULLGWORKA-INIZCTEOSA-N 1 1 330.392 0.289 20 30 ECEDMO CC1(C)OCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CO1 ZINC000819225377 587473102 /nfs/dbraw/zinc/47/31/02/587473102.db2.gz BGEWOFWRTZDOLX-UHFFFAOYSA-N 1 1 325.390 0.468 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@]2(c3ccccc3)CNC(=O)C2)CC1 ZINC000825077671 587915579 /nfs/dbraw/zinc/91/55/79/587915579.db2.gz DWYQTIBIWYAAHN-IBGZPJMESA-N 1 1 325.412 0.612 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366138 589109397 /nfs/dbraw/zinc/10/93/97/589109397.db2.gz HJBBGPRKBXYGNZ-NHYWBVRUSA-N 1 1 330.388 0.900 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366138 589109399 /nfs/dbraw/zinc/10/93/99/589109399.db2.gz HJBBGPRKBXYGNZ-NHYWBVRUSA-N 1 1 330.388 0.900 20 30 ECEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000847030726 589233235 /nfs/dbraw/zinc/23/32/35/589233235.db2.gz RRECPVFZTJGWMS-CYBMUJFWSA-N 1 1 335.429 0.926 20 30 ECEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000847030726 589233236 /nfs/dbraw/zinc/23/32/36/589233236.db2.gz RRECPVFZTJGWMS-CYBMUJFWSA-N 1 1 335.429 0.926 20 30 ECEDMO C#CCC[NH+]1CCC(NC(=O)c2ccnc(S(C)(=O)=O)n2)CC1 ZINC000847514583 589253476 /nfs/dbraw/zinc/25/34/76/589253476.db2.gz HEVFZSBTUVMKPH-UHFFFAOYSA-N 1 1 336.417 0.098 20 30 ECEDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCSC[C@H]2C#N)cn1 ZINC000849572317 589340926 /nfs/dbraw/zinc/34/09/26/589340926.db2.gz AAXQXMPEWJFMTG-QLFBSQMISA-N 1 1 333.461 0.923 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000851873784 589430362 /nfs/dbraw/zinc/43/03/62/589430362.db2.gz NSJDCIBCBSJBNQ-UHFFFAOYSA-N 1 1 332.429 0.186 20 30 ECEDMO N#Cc1sccc1N1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000852342454 589491709 /nfs/dbraw/zinc/49/17/09/589491709.db2.gz ONPHGNHBZMYUFD-UHFFFAOYSA-N 1 1 337.405 0.937 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000852358111 589492209 /nfs/dbraw/zinc/49/22/09/589492209.db2.gz MWCLYAWXQMUZMP-ARFHVFGLSA-N 1 1 325.453 0.807 20 30 ECEDMO C#C[C@](C)(CC)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000854697889 589600490 /nfs/dbraw/zinc/60/04/90/589600490.db2.gz NCGHWSAZVDABNF-MAUKXSAKSA-N 1 1 335.448 0.618 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000855288720 589625830 /nfs/dbraw/zinc/62/58/30/589625830.db2.gz LEWQHQYECVPNJH-VVLLMFOMSA-N 1 1 334.420 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC000890361263 589637731 /nfs/dbraw/zinc/63/77/31/589637731.db2.gz MWMCFOFEMRICAZ-ZJUUUORDSA-N 1 1 343.296 0.942 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC000890361263 589637733 /nfs/dbraw/zinc/63/77/33/589637733.db2.gz MWMCFOFEMRICAZ-ZJUUUORDSA-N 1 1 343.296 0.942 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000856254767 589658197 /nfs/dbraw/zinc/65/81/97/589658197.db2.gz ZEMFLGZZIPCJBF-IRXDYDNUSA-N 1 1 329.400 0.649 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000859018485 589792969 /nfs/dbraw/zinc/79/29/69/589792969.db2.gz VVYSOOXWAQLJQI-OAHLLOKOSA-N 1 1 341.452 0.403 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc(CC#N)cc3)CC[C@H]21 ZINC000867798194 589844017 /nfs/dbraw/zinc/84/40/17/589844017.db2.gz BTTFHABEFSFYEV-IAGOWNOFSA-N 1 1 340.427 0.921 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)CC1 ZINC000859586125 589852349 /nfs/dbraw/zinc/85/23/49/589852349.db2.gz HEWOJJMIKPFBOE-FQEVSTJZSA-N 1 1 341.455 0.747 20 30 ECEDMO CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867950667 589865026 /nfs/dbraw/zinc/86/50/26/589865026.db2.gz YJSOGVFTYPHHGP-XHDPSFHLSA-N 1 1 335.429 0.684 20 30 ECEDMO C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868371363 589897588 /nfs/dbraw/zinc/89/75/88/589897588.db2.gz CFXANRYZPCORPJ-KDOFPFPSSA-N 1 1 341.459 0.961 20 30 ECEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868371363 589897590 /nfs/dbraw/zinc/89/75/90/589897590.db2.gz CFXANRYZPCORPJ-KDOFPFPSSA-N 1 1 341.459 0.961 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000868653232 589919541 /nfs/dbraw/zinc/91/95/41/589919541.db2.gz MMSQAVSKYSDLSK-LLVKDONJSA-N 1 1 332.330 0.636 20 30 ECEDMO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000871051498 590047232 /nfs/dbraw/zinc/04/72/32/590047232.db2.gz WNXUKAPKJSTKAY-GXTWGEPZSA-N 1 1 328.424 0.790 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)nn1CCC#N ZINC000874096730 590220769 /nfs/dbraw/zinc/22/07/69/590220769.db2.gz ZKIFWWZAFYZTQO-UHFFFAOYSA-N 1 1 346.435 0.986 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000875139388 590275055 /nfs/dbraw/zinc/27/50/55/590275055.db2.gz ZHDMLSXWOYDDEY-CVEARBPZSA-N 1 1 337.464 0.768 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000875166509 590277433 /nfs/dbraw/zinc/27/74/33/590277433.db2.gz VOBNSCWXDNNBJI-ZBFHGGJFSA-N 1 1 344.390 0.866 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000875306886 590291676 /nfs/dbraw/zinc/29/16/76/590291676.db2.gz GQKHKLCMUQOWIT-IXDOHACOSA-N 1 1 343.427 0.703 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875385625 590298283 /nfs/dbraw/zinc/29/82/83/590298283.db2.gz DAUKZZOGQNPJEH-QXSJWSMHSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000875608270 590315317 /nfs/dbraw/zinc/31/53/17/590315317.db2.gz UQFDJDHVAMXJCI-INIZCTEOSA-N 1 1 337.464 0.720 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C[C@H]2C1=O ZINC000879531870 590319110 /nfs/dbraw/zinc/31/91/10/590319110.db2.gz MQEOJVBXJAVGMX-BMFZPTHFSA-N 1 1 343.383 0.039 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000875923198 590346478 /nfs/dbraw/zinc/34/64/78/590346478.db2.gz YIJYSFXPEJFNCK-DLBZAZTESA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000875925368 590347003 /nfs/dbraw/zinc/34/70/03/590347003.db2.gz QFUDUYOOKYHECV-NVXWUHKLSA-N 1 1 336.480 0.835 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000875925368 590347006 /nfs/dbraw/zinc/34/70/06/590347006.db2.gz QFUDUYOOKYHECV-NVXWUHKLSA-N 1 1 336.480 0.835 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)cc1 ZINC000880533823 590400531 /nfs/dbraw/zinc/40/05/31/590400531.db2.gz NMACYLAMUHHFAD-INMHGKMJSA-N 1 1 329.400 0.898 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000876744434 590407830 /nfs/dbraw/zinc/40/78/30/590407830.db2.gz SPNZCNSGINFKRX-NUJGCVRESA-N 1 1 340.427 0.724 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000876744434 590407832 /nfs/dbraw/zinc/40/78/32/590407832.db2.gz SPNZCNSGINFKRX-NUJGCVRESA-N 1 1 340.427 0.724 20 30 ECEDMO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000876781912 590414504 /nfs/dbraw/zinc/41/45/04/590414504.db2.gz RKCOYRNCSKMHAG-CQSZACIVSA-N 1 1 337.855 0.920 20 30 ECEDMO C=CC[C@H](C)[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000877956530 590489137 /nfs/dbraw/zinc/48/91/37/590489137.db2.gz RKAWBJYYLJWLIO-SOUVJXGZSA-N 1 1 331.482 0.923 20 30 ECEDMO C#CCNC(=O)CC[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000878871682 590548885 /nfs/dbraw/zinc/54/88/85/590548885.db2.gz SXQOJFCWCIXVER-HNNXBMFYSA-N 1 1 325.478 0.266 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000882636179 590566962 /nfs/dbraw/zinc/56/69/62/590566962.db2.gz PCXOIMBZIBSCPV-GOSISDBHSA-N 1 1 342.443 0.589 20 30 ECEDMO C#CC1(F)CN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000883425978 590617240 /nfs/dbraw/zinc/61/72/40/590617240.db2.gz GDGPITLOUTVMTK-OAHLLOKOSA-N 1 1 345.422 0.959 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000884277288 590794255 /nfs/dbraw/zinc/79/42/55/590794255.db2.gz LNVFJKDZJIRYGU-LSDHHAIUSA-N 1 1 347.415 0.615 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000884328619 590806497 /nfs/dbraw/zinc/80/64/97/590806497.db2.gz UQGJTGQKAGWVJV-BPUTZDHNSA-N 1 1 335.448 0.908 20 30 ECEDMO C[C@@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000886203792 590811899 /nfs/dbraw/zinc/81/18/99/590811899.db2.gz HTELHKNDELNROP-XYFZXANASA-N 1 1 339.461 0.644 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886212446 590816129 /nfs/dbraw/zinc/81/61/29/590816129.db2.gz VXQKLCXDFXZDSO-UMVBOHGHSA-N 1 1 325.434 0.256 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886212446 590816130 /nfs/dbraw/zinc/81/61/30/590816130.db2.gz VXQKLCXDFXZDSO-UMVBOHGHSA-N 1 1 325.434 0.256 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cccc(S(C)(=O)=O)c2)C1 ZINC000884392916 590819169 /nfs/dbraw/zinc/81/91/69/590819169.db2.gz QBOIFGMTOXCKKC-OAHLLOKOSA-N 1 1 349.456 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(S(C)(=O)=O)c2)C1 ZINC000884392916 590819172 /nfs/dbraw/zinc/81/91/72/590819172.db2.gz QBOIFGMTOXCKKC-OAHLLOKOSA-N 1 1 349.456 0.987 20 30 ECEDMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886299487 590828172 /nfs/dbraw/zinc/82/81/72/590828172.db2.gz ZOUNCZMUMRLUBI-OAHLLOKOSA-N 1 1 336.436 0.102 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2nnc(C3CCOCC3)[nH]2)C1 ZINC000889470595 591057276 /nfs/dbraw/zinc/05/72/76/591057276.db2.gz RLWDAXUGRIVDLN-AWEZNQCLSA-N 1 1 346.435 0.596 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2nnc(C3CCOCC3)[nH]2)C1 ZINC000889470595 591057278 /nfs/dbraw/zinc/05/72/78/591057278.db2.gz RLWDAXUGRIVDLN-AWEZNQCLSA-N 1 1 346.435 0.596 20 30 ECEDMO N#Cc1ccccc1OCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889781513 591095125 /nfs/dbraw/zinc/09/51/25/591095125.db2.gz OVXCIYZPCFVQOF-JKSUJKDBSA-N 1 1 329.400 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000890365283 591151802 /nfs/dbraw/zinc/15/18/02/591151802.db2.gz RVFKOTVSTINJPV-INIZCTEOSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000890365283 591151804 /nfs/dbraw/zinc/15/18/04/591151804.db2.gz RVFKOTVSTINJPV-INIZCTEOSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)C1 ZINC000890364793 591151861 /nfs/dbraw/zinc/15/18/61/591151861.db2.gz IRLXXYRLRQQYAT-GDBMZVCRSA-N 1 1 346.435 0.215 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)C1 ZINC000890364793 591151862 /nfs/dbraw/zinc/15/18/62/591151862.db2.gz IRLXXYRLRQQYAT-GDBMZVCRSA-N 1 1 346.435 0.215 20 30 ECEDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000922534419 611353663 /nfs/dbraw/zinc/35/36/63/611353663.db2.gz WNDAQIUUUBGABT-NFAWXSAZSA-N 1 1 342.465 0.295 20 30 ECEDMO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)CC[C@@H]3C2)nn1 ZINC000946586546 611355288 /nfs/dbraw/zinc/35/52/88/611355288.db2.gz MGPGAOAMUFTRDO-IYBDPMFKSA-N 1 1 327.432 0.899 20 30 ECEDMO N#C[C@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000922837539 611362265 /nfs/dbraw/zinc/36/22/65/611362265.db2.gz AHUQXHDOMGKEEQ-OAHLLOKOSA-N 1 1 336.436 0.813 20 30 ECEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000929988853 611375481 /nfs/dbraw/zinc/37/54/81/611375481.db2.gz XKRVWYIEMJAFEO-MSOLQXFVSA-N 1 1 345.443 0.771 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC[C@@H]2C1 ZINC000946678157 611410112 /nfs/dbraw/zinc/41/01/12/611410112.db2.gz UZGBNNJABLPYMX-OKILXGFUSA-N 1 1 329.400 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2conc2C)CC1 ZINC000948102065 611428490 /nfs/dbraw/zinc/42/84/90/611428490.db2.gz CIAMICQUZFJWAS-INIZCTEOSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2conc2C)CC1 ZINC000948102065 611428492 /nfs/dbraw/zinc/42/84/92/611428492.db2.gz CIAMICQUZFJWAS-INIZCTEOSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)CC[C@@H]2C1 ZINC000946735197 611442598 /nfs/dbraw/zinc/44/25/98/611442598.db2.gz IFHOBEBPNNHZRK-OAGGEKHMSA-N 1 1 341.459 0.724 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cnnn1C ZINC000947176427 611453068 /nfs/dbraw/zinc/45/30/68/611453068.db2.gz XFIKNNXONSSHTO-WCQYABFASA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cnnn1C ZINC000947176427 611453070 /nfs/dbraw/zinc/45/30/70/611453070.db2.gz XFIKNNXONSSHTO-WCQYABFASA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000948202391 611465830 /nfs/dbraw/zinc/46/58/30/611465830.db2.gz VXVOYTKNDYFYNB-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)cc1 ZINC000930824867 611469321 /nfs/dbraw/zinc/46/93/21/611469321.db2.gz GSJSIUTYILQDDM-GOEBONIOSA-N 1 1 330.384 0.852 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000948283632 611501167 /nfs/dbraw/zinc/50/11/67/611501167.db2.gz XRTUQQDSCVLVDJ-AWEZNQCLSA-N 1 1 331.420 0.901 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947368961 611501671 /nfs/dbraw/zinc/50/16/71/611501671.db2.gz DOGCGRZBEJEONV-QWHCGFSZSA-N 1 1 349.884 0.744 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947368961 611501672 /nfs/dbraw/zinc/50/16/72/611501672.db2.gz DOGCGRZBEJEONV-QWHCGFSZSA-N 1 1 349.884 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2C(=O)CC(C)(C)C2=O)CC1 ZINC000948373813 611552039 /nfs/dbraw/zinc/55/20/39/611552039.db2.gz PJILWRUCVVITJF-AWEZNQCLSA-N 1 1 333.432 0.718 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1C ZINC000947510354 611574076 /nfs/dbraw/zinc/57/40/76/611574076.db2.gz KCOWKFPMTGGNLV-KBPBESRZSA-N 1 1 334.420 0.884 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C[C@H]1C ZINC000947547891 611591124 /nfs/dbraw/zinc/59/11/24/611591124.db2.gz VFXLIEDIWHKXKQ-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC000948449904 611601735 /nfs/dbraw/zinc/60/17/35/611601735.db2.gz YBOVKKNDROCMMM-CVEARBPZSA-N 1 1 334.464 0.143 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C ZINC000947599791 611614274 /nfs/dbraw/zinc/61/42/74/611614274.db2.gz ZKKJGHWVVFHONH-JQWIXIFHSA-N 1 1 330.396 0.463 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCC2(C3(O)CCOCC3)CC2)C1 ZINC000924037334 608603758 /nfs/dbraw/zinc/60/37/58/608603758.db2.gz SLFRZKQROXSQHI-HNNXBMFYSA-N 1 1 335.448 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2(C3(O)CCOCC3)CC2)C1 ZINC000924037334 608603760 /nfs/dbraw/zinc/60/37/60/608603760.db2.gz SLFRZKQROXSQHI-HNNXBMFYSA-N 1 1 335.448 0.705 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC000936909823 608663746 /nfs/dbraw/zinc/66/37/46/608663746.db2.gz HFPQVRFFXBGNET-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC000949388521 608664775 /nfs/dbraw/zinc/66/47/75/608664775.db2.gz DERGQXHWXXUJHR-IBGZPJMESA-N 1 1 347.459 0.619 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC000949388521 608664777 /nfs/dbraw/zinc/66/47/77/608664777.db2.gz DERGQXHWXXUJHR-IBGZPJMESA-N 1 1 347.459 0.619 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC000949433554 608677543 /nfs/dbraw/zinc/67/75/43/608677543.db2.gz ZANGLQFSPMIMSI-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC000949433554 608677545 /nfs/dbraw/zinc/67/75/45/608677545.db2.gz ZANGLQFSPMIMSI-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H](C)C2)nn1 ZINC000947791632 608739203 /nfs/dbraw/zinc/73/92/03/608739203.db2.gz FMDPWHGWVLQSFQ-ZIAGYGMSSA-N 1 1 346.435 0.279 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C2)c1 ZINC000947711291 611662837 /nfs/dbraw/zinc/66/28/37/611662837.db2.gz UXSNLUPWPRSWKC-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cc2ccon2)CC1 ZINC000947230491 608821856 /nfs/dbraw/zinc/82/18/56/608821856.db2.gz TVQHJIGIHHKYCL-INIZCTEOSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cc2ccon2)CC1 ZINC000947230491 608821859 /nfs/dbraw/zinc/82/18/59/608821859.db2.gz TVQHJIGIHHKYCL-INIZCTEOSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC23CC3)CC1 ZINC000947230812 608825159 /nfs/dbraw/zinc/82/51/59/608825159.db2.gz UJJGMLBFVWIWKF-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC23CC3)CC1 ZINC000947230812 608825162 /nfs/dbraw/zinc/82/51/62/608825162.db2.gz UJJGMLBFVWIWKF-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cnccn2)CC1 ZINC000947230892 608825872 /nfs/dbraw/zinc/82/58/72/608825872.db2.gz WXGTXPTXUXUTDZ-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cnccn2)CC1 ZINC000947230892 608825875 /nfs/dbraw/zinc/82/58/75/608825875.db2.gz WXGTXPTXUXUTDZ-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCOC2)CC1 ZINC000947230939 608826230 /nfs/dbraw/zinc/82/62/30/608826230.db2.gz YNIXPPJNJOJLSZ-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCOC2)CC1 ZINC000947230939 608826232 /nfs/dbraw/zinc/82/62/32/608826232.db2.gz YNIXPPJNJOJLSZ-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)C[C@@H]1C ZINC000947602446 608918943 /nfs/dbraw/zinc/91/89/43/608918943.db2.gz LBAFEIPSLDUKKF-LSDHHAIUSA-N 1 1 330.436 0.935 20 30 ECEDMO CC[C@H](NC(=O)NCC#CCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000923776198 608922580 /nfs/dbraw/zinc/92/25/80/608922580.db2.gz PEKALEVNJMCHEG-ZWKOTPCHSA-N 1 1 345.443 0.961 20 30 ECEDMO CC[C@H](NC(=O)NCC#CCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000923776198 608922581 /nfs/dbraw/zinc/92/25/81/608922581.db2.gz PEKALEVNJMCHEG-ZWKOTPCHSA-N 1 1 345.443 0.961 20 30 ECEDMO O=C(NCC#CCO)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000923776284 608922874 /nfs/dbraw/zinc/92/28/74/608922874.db2.gz QEKUPTVUDYSFRY-IRXDYDNUSA-N 1 1 331.416 0.164 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000936124622 608964874 /nfs/dbraw/zinc/96/48/74/608964874.db2.gz YVSHTAGMUNNQFZ-WCVJEAGWSA-N 1 1 335.448 0.779 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000937181704 609020859 /nfs/dbraw/zinc/02/08/59/609020859.db2.gz RQHWCTPZJSXTBT-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937178065 609023820 /nfs/dbraw/zinc/02/38/20/609023820.db2.gz ZVODLCZDUCYAMP-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000937740793 609049024 /nfs/dbraw/zinc/04/90/24/609049024.db2.gz IPEUXZXTVDAFCF-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000937740793 609049028 /nfs/dbraw/zinc/04/90/28/609049028.db2.gz IPEUXZXTVDAFCF-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000937777533 609070404 /nfs/dbraw/zinc/07/04/04/609070404.db2.gz BHMAKZJKMXBWGX-GOEBONIOSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000937777533 609070406 /nfs/dbraw/zinc/07/04/06/609070406.db2.gz BHMAKZJKMXBWGX-GOEBONIOSA-N 1 1 346.431 0.335 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000937816927 609099340 /nfs/dbraw/zinc/09/93/40/609099340.db2.gz URUBYCKFINWZRS-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000937816927 609099343 /nfs/dbraw/zinc/09/93/43/609099343.db2.gz URUBYCKFINWZRS-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC000937952625 609417172 /nfs/dbraw/zinc/41/71/72/609417172.db2.gz FOQWPEAHXGRWCP-JYJNAYRXSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC000937952625 609417175 /nfs/dbraw/zinc/41/71/75/609417175.db2.gz FOQWPEAHXGRWCP-JYJNAYRXSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000938170429 609481644 /nfs/dbraw/zinc/48/16/44/609481644.db2.gz HNGYFIBOYMBZMB-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000938170429 609481646 /nfs/dbraw/zinc/48/16/46/609481646.db2.gz HNGYFIBOYMBZMB-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000938172594 609485753 /nfs/dbraw/zinc/48/57/53/609485753.db2.gz YBMOIPOPKSVVBZ-BBWFWOEESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000938172594 609485757 /nfs/dbraw/zinc/48/57/57/609485757.db2.gz YBMOIPOPKSVVBZ-BBWFWOEESA-N 1 1 347.459 0.760 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000938227075 609552614 /nfs/dbraw/zinc/55/26/14/609552614.db2.gz ZDRIUGLMEQOMOI-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1c[nH]nc1I ZINC000908435883 609653720 /nfs/dbraw/zinc/65/37/20/609653720.db2.gz KUXJXNMYLCQJSL-UHFFFAOYSA-N 1 1 346.172 0.699 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@H]1C[N@H+](C)CCN1C ZINC000919982587 609668463 /nfs/dbraw/zinc/66/84/63/609668463.db2.gz UAKCLFAZGDHFKC-XHDPSFHLSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000919982587 609668464 /nfs/dbraw/zinc/66/84/64/609668464.db2.gz UAKCLFAZGDHFKC-XHDPSFHLSA-N 1 1 340.424 0.610 20 30 ECEDMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CCCC#N)C2 ZINC000920282598 609678084 /nfs/dbraw/zinc/67/80/84/609678084.db2.gz RUPMIVYYPOBLAL-KBUPBQIOSA-N 1 1 329.466 0.689 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[N@H+]1C ZINC000920411737 609681506 /nfs/dbraw/zinc/68/15/06/609681506.db2.gz JMIDKZVTMJIOMG-GUIRCDHDSA-N 1 1 340.449 0.049 20 30 ECEDMO CN(C(=O)C(N)=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000948733022 611706125 /nfs/dbraw/zinc/70/61/25/611706125.db2.gz HOJSDCIFHSFSAE-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921322459 609703150 /nfs/dbraw/zinc/70/31/50/609703150.db2.gz SLHYIYFGYMQILV-JHJVBQTASA-N 1 1 332.495 0.492 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921322459 609703151 /nfs/dbraw/zinc/70/31/51/609703151.db2.gz SLHYIYFGYMQILV-JHJVBQTASA-N 1 1 332.495 0.492 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000910921213 609780791 /nfs/dbraw/zinc/78/07/91/609780791.db2.gz XUGCVLQHMPBNNH-BRWVUGGUSA-N 1 1 347.459 0.306 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C ZINC000947853661 611719169 /nfs/dbraw/zinc/71/91/69/611719169.db2.gz UKMCZGROIUFFMH-YPMHNXCESA-N 1 1 332.404 0.731 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)ccn2)CC1 ZINC000914071717 609849246 /nfs/dbraw/zinc/84/92/46/609849246.db2.gz ZGBIHMSLJKPCQK-UHFFFAOYSA-N 1 1 339.417 0.797 20 30 ECEDMO C#CCN(C(=O)NCCCCN1CCOCC1)C1CC[NH+](C)CC1 ZINC000914098550 609852458 /nfs/dbraw/zinc/85/24/58/609852458.db2.gz GUFCQNDVTPLNSC-UHFFFAOYSA-N 1 1 336.480 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000938621569 609905584 /nfs/dbraw/zinc/90/55/84/609905584.db2.gz YKDOYDHZTIIATM-SJORKVTESA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000938621569 609905586 /nfs/dbraw/zinc/90/55/86/609905586.db2.gz YKDOYDHZTIIATM-SJORKVTESA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2[nH]cnc2C)C1 ZINC000938754687 609973320 /nfs/dbraw/zinc/97/33/20/609973320.db2.gz LXHFBUKCMHROBA-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2[nH]cnc2C)C1 ZINC000938754687 609973323 /nfs/dbraw/zinc/97/33/23/609973323.db2.gz LXHFBUKCMHROBA-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000938755157 609973779 /nfs/dbraw/zinc/97/37/79/609973779.db2.gz WTEDVSKOEWUGEP-ZOFXXKQRSA-N 1 1 345.443 0.036 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000938755157 609973781 /nfs/dbraw/zinc/97/37/81/609973781.db2.gz WTEDVSKOEWUGEP-ZOFXXKQRSA-N 1 1 345.443 0.036 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000938863253 609994215 /nfs/dbraw/zinc/99/42/15/609994215.db2.gz YVJAWKUABBBACR-IMJJTQAJSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000918395006 610005597 /nfs/dbraw/zinc/00/55/97/610005597.db2.gz KKXJNRVRJRZIMS-CQSZACIVSA-N 1 1 335.429 0.422 20 30 ECEDMO N#Cc1ccc(C2(C(=O)NC[C@]3(CO)COCC[NH2+]3)CCCC2)cc1 ZINC000913197101 610052554 /nfs/dbraw/zinc/05/25/54/610052554.db2.gz XUNLAVSFJUKSBB-SFHVURJKSA-N 1 1 343.427 0.837 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000939868327 610156184 /nfs/dbraw/zinc/15/61/84/610156184.db2.gz YWXRRQXDSUYKLT-OLZOCXBDSA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000939868327 610156185 /nfs/dbraw/zinc/15/61/85/610156185.db2.gz YWXRRQXDSUYKLT-OLZOCXBDSA-N 1 1 343.855 0.813 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2csnc2C)C1 ZINC000940094948 610206934 /nfs/dbraw/zinc/20/69/34/610206934.db2.gz ZNQBBIQVXQNNHT-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2csnc2C)C1 ZINC000940094948 610206936 /nfs/dbraw/zinc/20/69/36/610206936.db2.gz ZNQBBIQVXQNNHT-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000940528704 610294395 /nfs/dbraw/zinc/29/43/95/610294395.db2.gz PQOGQGADLJLQMJ-IAGOWNOFSA-N 1 1 325.412 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000940581185 610304637 /nfs/dbraw/zinc/30/46/37/610304637.db2.gz HOVFXXWGAGTLFF-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000940581185 610304639 /nfs/dbraw/zinc/30/46/39/610304639.db2.gz HOVFXXWGAGTLFF-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456018 610318573 /nfs/dbraw/zinc/31/85/73/610318573.db2.gz KJGMHIIUUOKPEP-IEBWSBKVSA-N 1 1 344.503 0.855 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000940651583 610324059 /nfs/dbraw/zinc/32/40/59/610324059.db2.gz HEWGIMBHOTYFSF-AWEZNQCLSA-N 1 1 329.404 0.513 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940658980 610326709 /nfs/dbraw/zinc/32/67/09/610326709.db2.gz UCYGSIPLRHLHHD-KGLIPLIRSA-N 1 1 329.404 0.605 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000940664205 610327661 /nfs/dbraw/zinc/32/76/61/610327661.db2.gz IZZFVSUVERDDAH-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC000941471710 610330214 /nfs/dbraw/zinc/33/02/14/610330214.db2.gz HWDMDBGPBLHQHI-UHFFFAOYSA-N 1 1 327.432 0.364 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)C1 ZINC000941465265 610333889 /nfs/dbraw/zinc/33/38/89/610333889.db2.gz ODEBVLATCATCBC-INIZCTEOSA-N 1 1 341.459 0.297 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc4nccn4c3)CC2)C1 ZINC000941485320 610337845 /nfs/dbraw/zinc/33/78/45/610337845.db2.gz OSOZLWSBWAWLTI-UHFFFAOYSA-N 1 1 326.404 0.357 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N[C@H](CC)C3)CC2)C1 ZINC000941499325 610344236 /nfs/dbraw/zinc/34/42/36/610344236.db2.gz SIKKAKSRMIZMEY-HUUCEWRRSA-N 1 1 334.464 0.306 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)c3cnn(C)c3)CC2)C1 ZINC000941499683 610344586 /nfs/dbraw/zinc/34/45/86/610344586.db2.gz ZLSFNMXUYQVGMK-HNNXBMFYSA-N 1 1 331.464 0.928 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000940746161 610347421 /nfs/dbraw/zinc/34/74/21/610347421.db2.gz IMFPLRAXSVIEIP-OAGGEKHMSA-N 1 1 346.431 0.890 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C3(c4cccnc4)CC3)CC2)C1 ZINC000941531936 610363327 /nfs/dbraw/zinc/36/33/27/610363327.db2.gz KXLRRDSDTUGQLF-UHFFFAOYSA-N 1 1 338.455 0.965 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3ncccc3OC)CC2)C1 ZINC000941533753 610365085 /nfs/dbraw/zinc/36/50/85/610365085.db2.gz HVDYSATUPOOOEW-UHFFFAOYSA-N 1 1 330.432 0.647 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4cnn(C)c4C3)CC2)C1 ZINC000941534421 610365699 /nfs/dbraw/zinc/36/56/99/610365699.db2.gz ZAQVNLMTOBCEOJ-OAHLLOKOSA-N 1 1 343.475 0.539 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940781935 610369212 /nfs/dbraw/zinc/36/92/12/610369212.db2.gz FAHIEVVTKMMHLX-CABCVRRESA-N 1 1 335.448 0.331 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(C)c3OC)CC2)C1 ZINC000941591087 610387328 /nfs/dbraw/zinc/38/73/28/610387328.db2.gz ZNAKEBAQAGZDIU-UHFFFAOYSA-N 1 1 333.436 0.365 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1 ZINC000941579424 610391738 /nfs/dbraw/zinc/39/17/38/610391738.db2.gz AKTOWSKLQIMWGO-DLBZAZTESA-N 1 1 329.448 0.538 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC000941587809 610397670 /nfs/dbraw/zinc/39/76/70/610397670.db2.gz VPIWKXJLVINBQB-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccn(C(C)C)n3)CC2)C1 ZINC000941590207 610399010 /nfs/dbraw/zinc/39/90/10/610399010.db2.gz GNFUECTWMXDLDO-UHFFFAOYSA-N 1 1 329.448 0.929 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Oc3ccccn3)CC2)C1 ZINC000941640940 610427497 /nfs/dbraw/zinc/42/74/97/610427497.db2.gz JZJBHPFTUKTMFR-MRXNPFEDSA-N 1 1 342.443 0.701 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3c(C)noc3C)CC2)C1 ZINC000941661650 610434643 /nfs/dbraw/zinc/43/46/43/610434643.db2.gz FRISCNNIGYJVLB-UHFFFAOYSA-N 1 1 330.432 0.686 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C(C)(C)C1 ZINC000940918106 610440137 /nfs/dbraw/zinc/44/01/37/610440137.db2.gz KTGIAWBYSVARRS-ARFHVFGLSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCn3cc(Cl)cn3)CC2)C1 ZINC000941677659 610450374 /nfs/dbraw/zinc/45/03/74/610450374.db2.gz SIKGSRWOHJYUAN-UHFFFAOYSA-N 1 1 349.866 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2ccc(C)n2)C1 ZINC000942446739 610454328 /nfs/dbraw/zinc/45/43/28/610454328.db2.gz KULHZLLJTPBXJS-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2ccc(C)n2)C1 ZINC000942446739 610454330 /nfs/dbraw/zinc/45/43/30/610454330.db2.gz KULHZLLJTPBXJS-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC000941668189 610458558 /nfs/dbraw/zinc/45/85/58/610458558.db2.gz GAYNOLIIERGLSY-UHFFFAOYSA-N 1 1 331.420 0.132 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](C)c3cnn(C)c3)CC2)C1 ZINC000941692544 610466822 /nfs/dbraw/zinc/46/68/22/610466822.db2.gz LQYYKBJZFPCNEN-OAHLLOKOSA-N 1 1 331.464 0.928 20 30 ECEDMO O=C(C#CC1CC1)N1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000940999742 610478250 /nfs/dbraw/zinc/47/82/50/610478250.db2.gz RBRAKMVQBUFHRR-DLBZAZTESA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)C(C)(C)C1 ZINC000940986057 610482476 /nfs/dbraw/zinc/48/24/76/610482476.db2.gz GXIMCFBFRZDMRO-CYBMUJFWSA-N 1 1 326.404 0.827 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H](C)C1 ZINC000942523408 610499010 /nfs/dbraw/zinc/49/90/10/610499010.db2.gz PWULRIWKYYPDDD-OCCSQVGLSA-N 1 1 326.404 0.827 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](C)C1 ZINC000942530121 610501515 /nfs/dbraw/zinc/50/15/15/610501515.db2.gz PHPYEFAGDTUSGQ-DZGCQCFKSA-N 1 1 339.403 0.521 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000071922539 610505913 /nfs/dbraw/zinc/50/59/13/610505913.db2.gz BNYCABKOKHTPMC-UHFFFAOYSA-N 1 1 332.408 0.387 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941791037 610510534 /nfs/dbraw/zinc/51/05/34/610510534.db2.gz QLBRBRBRLQQCOP-WBVHZDCISA-N 1 1 338.415 0.551 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000941050127 610511235 /nfs/dbraw/zinc/51/12/35/610511235.db2.gz OGAZIZJRTACWMF-UONOGXRCSA-N 1 1 330.436 0.476 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000941090259 610531431 /nfs/dbraw/zinc/53/14/31/610531431.db2.gz BKZHZQQVMKNAPK-XYEKJYRLSA-N 1 1 348.447 0.767 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941091586 610532425 /nfs/dbraw/zinc/53/24/25/610532425.db2.gz XHSDOYXNKJXODH-ZIAGYGMSSA-N 1 1 341.477 0.260 20 30 ECEDMO C#CCN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091701 610532497 /nfs/dbraw/zinc/53/24/97/610532497.db2.gz XYSDTRCSCPZNHY-INIZCTEOSA-N 1 1 331.464 0.908 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](OC)C2)C1 ZINC000941871471 610546717 /nfs/dbraw/zinc/54/67/17/610546717.db2.gz MVVRUGOLBRVQAH-HUUCEWRRSA-N 1 1 346.431 0.890 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000941930957 610568305 /nfs/dbraw/zinc/56/83/05/610568305.db2.gz RSOHCCVUAMDQMM-ZWKOTPCHSA-N 1 1 339.439 0.879 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)CC2(C)C)nc1 ZINC000941169733 610583703 /nfs/dbraw/zinc/58/37/03/610583703.db2.gz ROMPZLMZCWHJII-DOMZBBRYSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)nc1 ZINC000941169733 610583704 /nfs/dbraw/zinc/58/37/04/610583704.db2.gz ROMPZLMZCWHJII-DOMZBBRYSA-N 1 1 328.416 0.767 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941963367 610586401 /nfs/dbraw/zinc/58/64/01/610586401.db2.gz KPFATZQYPAXNSH-XHDPSFHLSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000941245222 610616181 /nfs/dbraw/zinc/61/61/81/610616181.db2.gz KLKQVUJBEGDYSU-WBVHZDCISA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccnc(C)c2)C1 ZINC000941237912 610621552 /nfs/dbraw/zinc/62/15/52/610621552.db2.gz LVEOSEBYWKDNOG-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccnc(C)c2)C1 ZINC000941237912 610621556 /nfs/dbraw/zinc/62/15/56/610621556.db2.gz LVEOSEBYWKDNOG-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000941237717 610621649 /nfs/dbraw/zinc/62/16/49/610621649.db2.gz HLRAPJMDLBWGNN-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000941237717 610621652 /nfs/dbraw/zinc/62/16/52/610621652.db2.gz HLRAPJMDLBWGNN-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ncccc2C)C1 ZINC000941238101 610621930 /nfs/dbraw/zinc/62/19/30/610621930.db2.gz UHFZTXJKDIMACY-CVEARBPZSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ncccc2C)C1 ZINC000941238101 610621932 /nfs/dbraw/zinc/62/19/32/610621932.db2.gz UHFZTXJKDIMACY-CVEARBPZSA-N 1 1 340.427 0.818 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000941238466 610622908 /nfs/dbraw/zinc/62/29/08/610622908.db2.gz WUXDJWWWPTZHDO-CYBMUJFWSA-N 1 1 334.424 0.170 20 30 ECEDMO CC(=O)N1CCN(C2C[NH+](Cc3ccc(OCC#N)cc3)C2)CC1 ZINC000941253125 610625269 /nfs/dbraw/zinc/62/52/69/610625269.db2.gz QWUDETVANQDPLV-UHFFFAOYSA-N 1 1 328.416 0.937 20 30 ECEDMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000942801703 610628863 /nfs/dbraw/zinc/62/88/63/610628863.db2.gz MTEMEJSHYKJYDZ-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 ZINC000942053607 610630949 /nfs/dbraw/zinc/63/09/49/610630949.db2.gz RMZVFRRABWSGNH-GXSJLCMTSA-N 1 1 343.229 0.408 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 ZINC000942053607 610630952 /nfs/dbraw/zinc/63/09/52/610630952.db2.gz RMZVFRRABWSGNH-GXSJLCMTSA-N 1 1 343.229 0.408 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942847369 610646570 /nfs/dbraw/zinc/64/65/70/610646570.db2.gz QCPWACCMLJQGCO-DJIMGWMZSA-N 1 1 347.459 0.568 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942847369 610646573 /nfs/dbraw/zinc/64/65/73/610646573.db2.gz QCPWACCMLJQGCO-DJIMGWMZSA-N 1 1 347.459 0.568 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000942102361 610651670 /nfs/dbraw/zinc/65/16/70/610651670.db2.gz XTNYHCINOIILNJ-KBPBESRZSA-N 1 1 329.466 0.425 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+](C[C@H]3CC(C)(C)CO3)C2)CC1 ZINC000941348930 610685389 /nfs/dbraw/zinc/68/53/89/610685389.db2.gz SYSDIIOXKMWPJQ-GOEBONIOSA-N 1 1 334.464 0.790 20 30 ECEDMO Cn1cc(CC[NH+]2CC(N3CCN(C(=O)C#CC4CC4)CC3)C2)cn1 ZINC000941401077 610719564 /nfs/dbraw/zinc/71/95/64/610719564.db2.gz QMHAJWGZSNKUCZ-UHFFFAOYSA-N 1 1 341.459 0.204 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccnc3nc(C)nn32)[C@@H](C)C1 ZINC000944134340 610751200 /nfs/dbraw/zinc/75/12/00/610751200.db2.gz CUAMIFANUVAJFV-JSGCOSHPSA-N 1 1 326.404 0.896 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000943228969 610755328 /nfs/dbraw/zinc/75/53/28/610755328.db2.gz AFWUFWODACSMBZ-DZGCQCFKSA-N 1 1 348.447 0.490 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000943265392 610768741 /nfs/dbraw/zinc/76/87/41/610768741.db2.gz SLUJSMMRDBBCNN-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000944297751 610816459 /nfs/dbraw/zinc/81/64/59/610816459.db2.gz DQJWYRNTKHSMFP-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000944910388 610835765 /nfs/dbraw/zinc/83/57/65/610835765.db2.gz XXYMXLALJCWCQO-HUUCEWRRSA-N 1 1 343.493 0.120 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cccn2C)CC1 ZINC000944339660 610841980 /nfs/dbraw/zinc/84/19/80/610841980.db2.gz LXSDZVMBZBTHTC-INIZCTEOSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cccn2C)CC1 ZINC000944339660 610841981 /nfs/dbraw/zinc/84/19/81/610841981.db2.gz LXSDZVMBZBTHTC-INIZCTEOSA-N 1 1 342.443 0.844 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000944369257 610844793 /nfs/dbraw/zinc/84/47/93/610844793.db2.gz MRLFFGSAUOJIFT-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000944369257 610844796 /nfs/dbraw/zinc/84/47/96/610844796.db2.gz MRLFFGSAUOJIFT-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CSC)C2)CC1 ZINC000944966999 610860647 /nfs/dbraw/zinc/86/06/47/610860647.db2.gz MEZWPYXSPHUIFX-HNNXBMFYSA-N 1 1 349.500 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CSC)C2)CC1 ZINC000944966999 610860648 /nfs/dbraw/zinc/86/06/48/610860648.db2.gz MEZWPYXSPHUIFX-HNNXBMFYSA-N 1 1 349.500 0.898 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC000944968347 610861223 /nfs/dbraw/zinc/86/12/23/610861223.db2.gz HRPYJJLRYCCLQC-RRFJBIMHSA-N 1 1 348.447 0.316 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC000944968347 610861226 /nfs/dbraw/zinc/86/12/26/610861226.db2.gz HRPYJJLRYCCLQC-RRFJBIMHSA-N 1 1 348.447 0.316 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cncn3C)C[C@H]2C)nn1 ZINC000943482900 610869408 /nfs/dbraw/zinc/86/94/08/610869408.db2.gz REWQDAYGXOBJAK-UKRRQHHQSA-N 1 1 343.435 0.838 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H](C)C#N)CC3)C1 ZINC000945035661 610890197 /nfs/dbraw/zinc/89/01/97/610890197.db2.gz QVWGWGAMQNGXEN-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H](C)C#N)CC3)C1 ZINC000945035661 610890198 /nfs/dbraw/zinc/89/01/98/610890198.db2.gz QVWGWGAMQNGXEN-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000943760895 610978433 /nfs/dbraw/zinc/97/84/33/610978433.db2.gz FSUGNVIFLATYQF-FZMZJTMJSA-N 1 1 332.404 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc(C)no1 ZINC000943860522 611006535 /nfs/dbraw/zinc/00/65/35/611006535.db2.gz YKUHZTLFJFCHLO-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc(C)no1 ZINC000943860522 611006537 /nfs/dbraw/zinc/00/65/37/611006537.db2.gz YKUHZTLFJFCHLO-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1cc[nH]n1 ZINC000943925913 611043379 /nfs/dbraw/zinc/04/33/79/611043379.db2.gz YDIAJWDMIWVUEH-CVEARBPZSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1cc[nH]n1 ZINC000943925913 611043383 /nfs/dbraw/zinc/04/33/83/611043383.db2.gz YDIAJWDMIWVUEH-CVEARBPZSA-N 1 1 343.431 0.157 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@H]1C ZINC000944062620 611109267 /nfs/dbraw/zinc/10/92/67/611109267.db2.gz QXGNIVICNWPDFK-KGLIPLIRSA-N 1 1 346.431 0.833 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@H]1C ZINC000944062620 611109269 /nfs/dbraw/zinc/10/92/69/611109269.db2.gz QXGNIVICNWPDFK-KGLIPLIRSA-N 1 1 346.431 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ncoc1C ZINC000944097985 611130887 /nfs/dbraw/zinc/13/08/87/611130887.db2.gz RKXSHRVMWQTVDV-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ncoc1C ZINC000944097985 611130889 /nfs/dbraw/zinc/13/08/89/611130889.db2.gz RKXSHRVMWQTVDV-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000944098665 611130954 /nfs/dbraw/zinc/13/09/54/611130954.db2.gz CZUQGISZKVTZLT-BBWFWOEESA-N 1 1 346.475 0.143 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2c(OC)ncnc2OC)[C@@H](C)C1 ZINC000945944055 611163130 /nfs/dbraw/zinc/16/31/30/611163130.db2.gz RCLAGYCSEVECOP-STQMWFEESA-N 1 1 332.404 0.957 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC[C@@H]2C1 ZINC000946884987 611225115 /nfs/dbraw/zinc/22/51/15/611225115.db2.gz ULJHWROIDDAYTA-HZSPNIEDSA-N 1 1 334.420 0.331 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC000923334423 611230520 /nfs/dbraw/zinc/23/05/20/611230520.db2.gz XDVOFTXURHWKOV-IAGOWNOFSA-N 1 1 328.416 0.488 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC[C@@H]2C1 ZINC000946896523 611237233 /nfs/dbraw/zinc/23/72/33/611237233.db2.gz LTKGWDDINARMGL-MJBXVCDLSA-N 1 1 327.450 0.035 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCO)C[C@H]3CC2)CC1 ZINC000946902788 611245879 /nfs/dbraw/zinc/24/58/79/611245879.db2.gz ZAZXGZOGFZPPFN-KDURUIRLSA-N 1 1 347.503 0.884 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]3CC2)CC1 ZINC000946902788 611245880 /nfs/dbraw/zinc/24/58/80/611245880.db2.gz ZAZXGZOGFZPPFN-KDURUIRLSA-N 1 1 347.503 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 ZINC000923550904 611260902 /nfs/dbraw/zinc/26/09/02/611260902.db2.gz GTZWDYSFSWCMGP-KBPBESRZSA-N 1 1 339.436 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 ZINC000923550904 611260904 /nfs/dbraw/zinc/26/09/04/611260904.db2.gz GTZWDYSFSWCMGP-KBPBESRZSA-N 1 1 339.436 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3scc(C)n3c2=O)C1 ZINC000923563553 611263386 /nfs/dbraw/zinc/26/33/86/611263386.db2.gz NQPLPNMWCIMLPU-LBPRGKRZSA-N 1 1 330.413 0.892 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3scc(C)n3c2=O)C1 ZINC000923563553 611263387 /nfs/dbraw/zinc/26/33/87/611263387.db2.gz NQPLPNMWCIMLPU-LBPRGKRZSA-N 1 1 330.413 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000923573837 611266992 /nfs/dbraw/zinc/26/69/92/611266992.db2.gz BZAJPCSPZJFXGI-WPCFGXOUSA-N 1 1 330.388 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000923573837 611266994 /nfs/dbraw/zinc/26/69/94/611266994.db2.gz BZAJPCSPZJFXGI-WPCFGXOUSA-N 1 1 330.388 0.117 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000923588023 611270074 /nfs/dbraw/zinc/27/00/74/611270074.db2.gz HALJYIVZZMELQZ-LBPRGKRZSA-N 1 1 341.458 0.240 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000923588023 611270075 /nfs/dbraw/zinc/27/00/75/611270075.db2.gz HALJYIVZZMELQZ-LBPRGKRZSA-N 1 1 341.458 0.240 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000923590153 611270363 /nfs/dbraw/zinc/27/03/63/611270363.db2.gz YZKDZPWOPRKHRB-LLVKDONJSA-N 1 1 327.431 0.223 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000923590153 611270364 /nfs/dbraw/zinc/27/03/64/611270364.db2.gz YZKDZPWOPRKHRB-LLVKDONJSA-N 1 1 327.431 0.223 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H](NC(N)=O)c2ccccc2)C1 ZINC000923588767 611270441 /nfs/dbraw/zinc/27/04/41/611270441.db2.gz JNOCLGWJFLCBRG-HOTGVXAUSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](NC(N)=O)c2ccccc2)C1 ZINC000923588767 611270442 /nfs/dbraw/zinc/27/04/42/611270442.db2.gz JNOCLGWJFLCBRG-HOTGVXAUSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000923592568 611271309 /nfs/dbraw/zinc/27/13/09/611271309.db2.gz YMLREQOAXLOPFK-AWEZNQCLSA-N 1 1 335.429 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000923592568 611271311 /nfs/dbraw/zinc/27/13/11/611271311.db2.gz YMLREQOAXLOPFK-AWEZNQCLSA-N 1 1 335.429 0.422 20 30 ECEDMO C#CC[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(CCC(=O)OC)C2=O)C1 ZINC000842629761 611318017 /nfs/dbraw/zinc/31/80/17/611318017.db2.gz RBMSDZKTJKRAHG-GUYCJALGSA-N 1 1 335.404 0.943 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921897423 611324491 /nfs/dbraw/zinc/32/44/91/611324491.db2.gz PMOHOLJCVMCDQP-AWEZNQCLSA-N 1 1 345.465 0.140 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921897423 611324492 /nfs/dbraw/zinc/32/44/92/611324492.db2.gz PMOHOLJCVMCDQP-AWEZNQCLSA-N 1 1 345.465 0.140 20 30 ECEDMO C#CCOCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000921934199 611327338 /nfs/dbraw/zinc/32/73/38/611327338.db2.gz SNXFTOZMWDJDQV-XLMAVXFVSA-N 1 1 337.464 0.805 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000933591232 611734919 /nfs/dbraw/zinc/73/49/19/611734919.db2.gz OXEWGQPWWFZWTN-KRWDZBQOSA-N 1 1 335.452 0.778 20 30 ECEDMO CC(=O)N1CCN(C(=O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933654150 611739166 /nfs/dbraw/zinc/73/91/66/611739166.db2.gz PFKYVQNMHHMHIE-UHFFFAOYSA-N 1 1 335.404 0.015 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2CC(OC)C2)CC1 ZINC000947111981 611761478 /nfs/dbraw/zinc/76/14/78/611761478.db2.gz AIRFQULRSOWEET-PREGVCBESA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2CC(OC)C2)CC1 ZINC000947111981 611761479 /nfs/dbraw/zinc/76/14/79/611761479.db2.gz AIRFQULRSOWEET-PREGVCBESA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(C)CC[N@@H+](C)CC1 ZINC000933997913 611764951 /nfs/dbraw/zinc/76/49/51/611764951.db2.gz PLDRNBQDLJAFIU-INIZCTEOSA-N 1 1 335.496 0.897 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000929772671 611792384 /nfs/dbraw/zinc/79/23/84/611792384.db2.gz RQNXVIPUVSIZCH-HNNXBMFYSA-N 1 1 349.456 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC000950645295 611814744 /nfs/dbraw/zinc/81/47/44/611814744.db2.gz RDBOJKXYPXGONH-BMFZPTHFSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC000950645295 611814745 /nfs/dbraw/zinc/81/47/45/611814745.db2.gz RDBOJKXYPXGONH-BMFZPTHFSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)c2ncc[nH]2)CC1 ZINC000949105339 611855851 /nfs/dbraw/zinc/85/58/51/611855851.db2.gz KKEJYHYCRMFDBA-HNNXBMFYSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)c2ncc[nH]2)CC1 ZINC000949105339 611855853 /nfs/dbraw/zinc/85/58/53/611855853.db2.gz KKEJYHYCRMFDBA-HNNXBMFYSA-N 1 1 343.431 0.476 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCCC[N@@H+]2C)nn1 ZINC000950057494 611855924 /nfs/dbraw/zinc/85/59/24/611855924.db2.gz WLFUFZDUIVMIBC-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC000950727294 611865643 /nfs/dbraw/zinc/86/56/43/611865643.db2.gz KJHJEGYNJKGQIA-UHFFFAOYSA-N 1 1 331.416 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1nccs1 ZINC000950754961 611890270 /nfs/dbraw/zinc/89/02/70/611890270.db2.gz AFGXRZMCBCTAMV-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1nccs1 ZINC000950754961 611890273 /nfs/dbraw/zinc/89/02/73/611890273.db2.gz AFGXRZMCBCTAMV-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1oc(C)nc1C ZINC000950755805 611891442 /nfs/dbraw/zinc/89/14/42/611891442.db2.gz UXMDIWVHWUCEDZ-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1oc(C)nc1C ZINC000950755805 611891443 /nfs/dbraw/zinc/89/14/43/611891443.db2.gz UXMDIWVHWUCEDZ-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]3C(=O)OC)CC2)C1 ZINC000949317384 611936773 /nfs/dbraw/zinc/93/67/73/611936773.db2.gz LAMPLKHCMYPAKL-CABCVRRESA-N 1 1 334.416 0.512 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@H]1CCCN(C)C1=O)CCO2 ZINC000949320982 611938226 /nfs/dbraw/zinc/93/82/26/611938226.db2.gz YNYOIDNWTSHJJH-CABCVRRESA-N 1 1 348.447 0.460 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@H]1CCCN(C)C1=O)CCO2 ZINC000949320982 611938227 /nfs/dbraw/zinc/93/82/27/611938227.db2.gz YNYOIDNWTSHJJH-CABCVRRESA-N 1 1 348.447 0.460 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC000949340423 611944613 /nfs/dbraw/zinc/94/46/13/611944613.db2.gz NNKOLLXOAPNJRP-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)CN(CC#N)CCO3)CC[N@H+]1C ZINC000949370358 611954469 /nfs/dbraw/zinc/95/44/69/611954469.db2.gz QHORRGFQVPTTSD-JKSUJKDBSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC000949370487 611954646 /nfs/dbraw/zinc/95/46/46/611954646.db2.gz UXEHYHFJTROXCT-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N[C@@H](C)C3)CC2)C1 ZINC000949401350 611965829 /nfs/dbraw/zinc/96/58/29/611965829.db2.gz ADIYHBABKJALID-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N[C@@H](C)C3)CC2)C1 ZINC000949401350 611965832 /nfs/dbraw/zinc/96/58/32/611965832.db2.gz ADIYHBABKJALID-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC000949405993 611967579 /nfs/dbraw/zinc/96/75/79/611967579.db2.gz PULBNYJLDUDXQA-UHFFFAOYSA-N 1 1 335.448 0.878 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC000949405993 611967582 /nfs/dbraw/zinc/96/75/82/611967582.db2.gz PULBNYJLDUDXQA-UHFFFAOYSA-N 1 1 335.448 0.878 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949448368 611984152 /nfs/dbraw/zinc/98/41/52/611984152.db2.gz BNUANMOXSKFRFU-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC000949454335 611986932 /nfs/dbraw/zinc/98/69/32/611986932.db2.gz HVAAELQICNDVQK-UHFFFAOYSA-N 1 1 346.431 0.516 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC000949454335 611986933 /nfs/dbraw/zinc/98/69/33/611986933.db2.gz HVAAELQICNDVQK-UHFFFAOYSA-N 1 1 346.431 0.516 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC3(CC2)C[N@@H+](C[C@H](C)O)CCO3)nn1 ZINC000949489426 612002591 /nfs/dbraw/zinc/00/25/91/612002591.db2.gz CUJDMEMYJOKNSB-AWEZNQCLSA-N 1 1 349.435 0.152 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCc4nncn4C3)CC2)C1 ZINC000949529384 612022496 /nfs/dbraw/zinc/02/24/96/612022496.db2.gz RBXBTTXTXOMHHY-OAHLLOKOSA-N 1 1 345.447 0.720 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCc4nncn4C3)CC2)C1 ZINC000949529384 612022497 /nfs/dbraw/zinc/02/24/97/612022497.db2.gz RBXBTTXTXOMHHY-OAHLLOKOSA-N 1 1 345.447 0.720 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000950464930 612030432 /nfs/dbraw/zinc/03/04/32/612030432.db2.gz YOLCUHUZLJPYAG-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1nnnn1CC(F)(F)F ZINC000191493354 612040985 /nfs/dbraw/zinc/04/09/85/612040985.db2.gz LZHUNMBGUNAMMA-VIFPVBQESA-N 1 1 335.334 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cc(OC)no2)C1 ZINC000950534072 612058057 /nfs/dbraw/zinc/05/80/57/612058057.db2.gz QOBFNAAJKNAAET-INIZCTEOSA-N 1 1 346.431 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cc(OC)no2)C1 ZINC000950534072 612058058 /nfs/dbraw/zinc/05/80/58/612058058.db2.gz QOBFNAAJKNAAET-INIZCTEOSA-N 1 1 346.431 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2nonc2C)C1 ZINC000951223366 612087891 /nfs/dbraw/zinc/08/78/91/612087891.db2.gz FQWJBPAZOAIJIY-KGLIPLIRSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2nonc2C)C1 ZINC000951223366 612087892 /nfs/dbraw/zinc/08/78/92/612087892.db2.gz FQWJBPAZOAIJIY-KGLIPLIRSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC000951223551 612088423 /nfs/dbraw/zinc/08/84/23/612088423.db2.gz KHTXRXYFTMXSRO-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC000951223551 612088424 /nfs/dbraw/zinc/08/84/24/612088424.db2.gz KHTXRXYFTMXSRO-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000951223807 612089099 /nfs/dbraw/zinc/08/90/99/612089099.db2.gz QEMXIRYZUMVRRV-CVEARBPZSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000951223807 612089100 /nfs/dbraw/zinc/08/91/00/612089100.db2.gz QEMXIRYZUMVRRV-CVEARBPZSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CCN(C(=O)COC)C2)C1 ZINC000952830288 612110031 /nfs/dbraw/zinc/11/00/31/612110031.db2.gz TYCQVLGXJUUSTC-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CCN(C(=O)COC)C2)C1 ZINC000952830288 612110034 /nfs/dbraw/zinc/11/00/34/612110034.db2.gz TYCQVLGXJUUSTC-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccnnc1C ZINC000951303022 612141642 /nfs/dbraw/zinc/14/16/42/612141642.db2.gz URPXPYLVRBTKDO-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccnnc1C ZINC000951303022 612141643 /nfs/dbraw/zinc/14/16/43/612141643.db2.gz URPXPYLVRBTKDO-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CCC[C@@H]2C)nc1 ZINC000951378684 612195128 /nfs/dbraw/zinc/19/51/28/612195128.db2.gz XRCUJUAILMFHHC-HOCLYGCPSA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000951410841 612211409 /nfs/dbraw/zinc/21/14/09/612211409.db2.gz NSJPMYBJHKVTTP-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC000951427982 612227197 /nfs/dbraw/zinc/22/71/97/612227197.db2.gz CPYMMBURAOVJCF-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC000951427982 612227199 /nfs/dbraw/zinc/22/71/99/612227199.db2.gz CPYMMBURAOVJCF-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000952219624 612296802 /nfs/dbraw/zinc/29/68/02/612296802.db2.gz ZETFPEWCNMLYCL-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ocnc2CC)C1 ZINC000955259612 612389079 /nfs/dbraw/zinc/38/90/79/612389079.db2.gz ZJTXGRQCYVTGRC-HNNXBMFYSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ocnc2CC)C1 ZINC000955259612 612389083 /nfs/dbraw/zinc/38/90/83/612389083.db2.gz ZJTXGRQCYVTGRC-HNNXBMFYSA-N 1 1 344.415 0.617 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000953902694 612414185 /nfs/dbraw/zinc/41/41/85/612414185.db2.gz IXHKYISUGJPTDW-MRXNPFEDSA-N 1 1 326.400 0.440 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000953958746 612496019 /nfs/dbraw/zinc/49/60/19/612496019.db2.gz ZBMROQYURQANGO-CYBMUJFWSA-N 1 1 343.855 0.765 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000953958746 612496025 /nfs/dbraw/zinc/49/60/25/612496025.db2.gz ZBMROQYURQANGO-CYBMUJFWSA-N 1 1 343.855 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2coc(CC)n2)C1 ZINC000954630381 612466772 /nfs/dbraw/zinc/46/67/72/612466772.db2.gz DUFPWFDLZKTPTG-HNNXBMFYSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2coc(CC)n2)C1 ZINC000954630381 612466775 /nfs/dbraw/zinc/46/67/75/612466775.db2.gz DUFPWFDLZKTPTG-HNNXBMFYSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](OC)C2CCC2)C1 ZINC000954630625 612467097 /nfs/dbraw/zinc/46/70/97/612467097.db2.gz FKJWGAUIPGGSQI-DLBZAZTESA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](OC)C2CCC2)C1 ZINC000954630625 612467100 /nfs/dbraw/zinc/46/71/00/612467100.db2.gz FKJWGAUIPGGSQI-DLBZAZTESA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc[nH]c2C)C1 ZINC000954630315 612467269 /nfs/dbraw/zinc/46/72/69/612467269.db2.gz AUHWPNRXUQWGIM-INIZCTEOSA-N 1 1 328.416 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc[nH]c2C)C1 ZINC000954630315 612467274 /nfs/dbraw/zinc/46/72/74/612467274.db2.gz AUHWPNRXUQWGIM-INIZCTEOSA-N 1 1 328.416 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2ccoc2)C1 ZINC000954630800 612468013 /nfs/dbraw/zinc/46/80/13/612468013.db2.gz KITJNPYTXFKQRX-INIZCTEOSA-N 1 1 329.400 0.589 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2ccoc2)C1 ZINC000954630800 612468016 /nfs/dbraw/zinc/46/80/16/612468016.db2.gz KITJNPYTXFKQRX-INIZCTEOSA-N 1 1 329.400 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CCCO2)C1 ZINC000954630820 612468472 /nfs/dbraw/zinc/46/84/72/612468472.db2.gz KWZKKQNLFHJOQS-CVEARBPZSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CCCO2)C1 ZINC000954630820 612468475 /nfs/dbraw/zinc/46/84/75/612468475.db2.gz KWZKKQNLFHJOQS-CVEARBPZSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccnn2CC)C1 ZINC000954631464 612470220 /nfs/dbraw/zinc/47/02/20/612470220.db2.gz YBNJWVIPLHHOAV-HNNXBMFYSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccnn2CC)C1 ZINC000954631464 612470223 /nfs/dbraw/zinc/47/02/23/612470223.db2.gz YBNJWVIPLHHOAV-HNNXBMFYSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncccc2C)C1 ZINC000954631513 612470640 /nfs/dbraw/zinc/47/06/40/612470640.db2.gz YVFLFROUQAYUTQ-INIZCTEOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncccc2C)C1 ZINC000954631513 612470644 /nfs/dbraw/zinc/47/06/44/612470644.db2.gz YVFLFROUQAYUTQ-INIZCTEOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000955348767 612479275 /nfs/dbraw/zinc/47/92/75/612479275.db2.gz CRBLAYOPYDTDEZ-SUMWQHHRSA-N 1 1 340.427 0.543 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC000955349211 612481904 /nfs/dbraw/zinc/48/19/04/612481904.db2.gz KSZNKJUTUZWMFW-CJNGLKHVSA-N 1 1 340.427 0.543 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000952538028 612491703 /nfs/dbraw/zinc/49/17/03/612491703.db2.gz IBFVYWJNUHHWOB-BBWFWOEESA-N 1 1 329.444 0.943 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000953959761 612500241 /nfs/dbraw/zinc/50/02/41/612500241.db2.gz PCSPGFFGJYPIKV-INIZCTEOSA-N 1 1 346.431 0.288 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000953959761 612500244 /nfs/dbraw/zinc/50/02/44/612500244.db2.gz PCSPGFFGJYPIKV-INIZCTEOSA-N 1 1 346.431 0.288 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2snnc2C)C1 ZINC000953704510 612541815 /nfs/dbraw/zinc/54/18/15/612541815.db2.gz IGXBLPHSCLCYHJ-ZDUSSCGKSA-N 1 1 347.444 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2snnc2C)C1 ZINC000953704510 612541816 /nfs/dbraw/zinc/54/18/16/612541816.db2.gz IGXBLPHSCLCYHJ-ZDUSSCGKSA-N 1 1 347.444 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)no2)C1 ZINC000953715293 612550900 /nfs/dbraw/zinc/55/09/00/612550900.db2.gz ZSRXWOFTYZRRFM-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)no2)C1 ZINC000953715293 612550906 /nfs/dbraw/zinc/55/09/06/612550906.db2.gz ZSRXWOFTYZRRFM-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000954044882 612585837 /nfs/dbraw/zinc/58/58/37/612585837.db2.gz VQQFDJOAKXMNSZ-ZBFHGGJFSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000954044882 612585841 /nfs/dbraw/zinc/58/58/41/612585841.db2.gz VQQFDJOAKXMNSZ-ZBFHGGJFSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H](C)OC)CC1 ZINC000954044881 612585863 /nfs/dbraw/zinc/58/58/63/612585863.db2.gz VQQFDJOAKXMNSZ-HOCLYGCPSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H](C)OC)CC1 ZINC000954044881 612585868 /nfs/dbraw/zinc/58/58/68/612585868.db2.gz VQQFDJOAKXMNSZ-HOCLYGCPSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)CC(C)(C)O)CC1 ZINC000954044689 612585950 /nfs/dbraw/zinc/58/59/50/612585950.db2.gz MRQMSSMRYSEOME-INIZCTEOSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)CC(C)(C)O)CC1 ZINC000954044689 612585953 /nfs/dbraw/zinc/58/59/53/612585953.db2.gz MRQMSSMRYSEOME-INIZCTEOSA-N 1 1 349.475 0.694 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956837861 612607317 /nfs/dbraw/zinc/60/73/17/612607317.db2.gz SHBYDICNHDZCHR-SJKOYZFVSA-N 1 1 329.404 0.559 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956842855 612617073 /nfs/dbraw/zinc/61/70/73/612617073.db2.gz MYXVUXMSLOKMCJ-KRWDZBQOSA-N 1 1 340.387 0.812 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000954105501 612668432 /nfs/dbraw/zinc/66/84/32/612668432.db2.gz JIDXSRSZAHIMAS-STQMWFEESA-N 1 1 343.431 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1n[nH]cc1C ZINC000956073133 612677163 /nfs/dbraw/zinc/67/71/63/612677163.db2.gz OGESNEYLLIBULE-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1n[nH]cc1C ZINC000956073133 612677164 /nfs/dbraw/zinc/67/71/64/612677164.db2.gz OGESNEYLLIBULE-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC000956126876 612728239 /nfs/dbraw/zinc/72/82/39/612728239.db2.gz INNFIVMWTNJXKK-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2cocn2)CC1 ZINC000956314611 612828574 /nfs/dbraw/zinc/82/85/74/612828574.db2.gz IXAIAPLJRACROY-HNNXBMFYSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2cocn2)CC1 ZINC000956314611 612828575 /nfs/dbraw/zinc/82/85/75/612828575.db2.gz IXAIAPLJRACROY-HNNXBMFYSA-N 1 1 344.415 0.883 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000954392138 612888789 /nfs/dbraw/zinc/88/87/89/612888789.db2.gz JLOHPGLDJZXXII-JYJNAYRXSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CCN(C(C)=O)CC2 ZINC000956522079 612910422 /nfs/dbraw/zinc/91/04/22/612910422.db2.gz OQTPAQAQTVKTKY-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CCN(C(C)=O)CC2 ZINC000956522079 612910423 /nfs/dbraw/zinc/91/04/23/612910423.db2.gz OQTPAQAQTVKTKY-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cnc1C#N ZINC001164747071 720743246 /nfs/dbraw/zinc/74/32/46/720743246.db2.gz ZWFAQHGNSCQRHK-KBPBESRZSA-N 1 1 337.387 0.789 20 30 ECEDMO Cc1nc(C#N)cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164749344 720803610 /nfs/dbraw/zinc/80/36/10/720803610.db2.gz UGUNEXJOARRVDM-CABCVRRESA-N 1 1 337.387 0.789 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3cnc(C#N)c(C)n3)CC[C@@H]2C1 ZINC001164858941 720869980 /nfs/dbraw/zinc/86/99/80/720869980.db2.gz SZJWLBHABXYWLE-ZBFHGGJFSA-N 1 1 331.420 0.830 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3cnc(C#N)c(C#N)n3)CC[C@@H]2C1 ZINC001164853781 720879740 /nfs/dbraw/zinc/87/97/40/720879740.db2.gz CTSSURGWARGHSP-CJNGLKHVSA-N 1 1 342.403 0.393 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C#N)nc(C)n3)CC[C@H]2C1 ZINC001164860068 720889488 /nfs/dbraw/zinc/88/94/88/720889488.db2.gz ODTWUUIVXWSSMK-GOEBONIOSA-N 1 1 331.420 0.830 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC001041784859 782198635 /nfs/dbraw/zinc/19/86/35/782198635.db2.gz AFTBGDXXUCYSOB-SFHVURJKSA-N 1 1 339.399 0.996 20 30 ECEDMO Cc1cc(N[C@H](C)CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)c(C#N)cn1 ZINC001098215688 735359315 /nfs/dbraw/zinc/35/93/15/735359315.db2.gz SUCBZIGRJNTXMI-PBHICJAKSA-N 1 1 345.447 0.709 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC001041787282 782208908 /nfs/dbraw/zinc/20/89/08/782208908.db2.gz YMKCZMXHUHXYLQ-KRWDZBQOSA-N 1 1 346.387 0.458 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001023344815 736717069 /nfs/dbraw/zinc/71/70/69/736717069.db2.gz UXTTUXQCJZEZCK-QWRGUYRKSA-N 1 1 346.225 0.832 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001023344815 736717075 /nfs/dbraw/zinc/71/70/75/736717075.db2.gz UXTTUXQCJZEZCK-QWRGUYRKSA-N 1 1 346.225 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCc1nc(C)no1 ZINC001024987769 738462586 /nfs/dbraw/zinc/46/25/86/738462586.db2.gz TUVZAJCZXYFXPZ-HOTGVXAUSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCc1nc(C)no1 ZINC001024987769 738462591 /nfs/dbraw/zinc/46/25/91/738462591.db2.gz TUVZAJCZXYFXPZ-HOTGVXAUSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1nccc(C)n1 ZINC001111582828 731492084 /nfs/dbraw/zinc/49/20/84/731492084.db2.gz QKKGESXEAVZDEG-HNNXBMFYSA-N 1 1 331.420 0.115 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1nccc(C)n1 ZINC001111582828 731492087 /nfs/dbraw/zinc/49/20/87/731492087.db2.gz QKKGESXEAVZDEG-HNNXBMFYSA-N 1 1 331.420 0.115 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)C3CCOCC3)C2)C1=O ZINC000969192375 731575104 /nfs/dbraw/zinc/57/51/04/731575104.db2.gz JZXDEYWWWISOON-CZUORRHYSA-N 1 1 335.448 0.636 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)nc1 ZINC001041793175 782221156 /nfs/dbraw/zinc/22/11/56/782221156.db2.gz FLZSYCMSNXHAQR-UGSOOPFHSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](CC)C(N)=O)C3)C2)nc1 ZINC001041793071 782220073 /nfs/dbraw/zinc/22/00/73/782220073.db2.gz CSTVKEKHADSZML-QFBILLFUSA-N 1 1 340.427 0.865 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cncs3)C2)C1=O ZINC000969359579 731756830 /nfs/dbraw/zinc/75/68/30/731756830.db2.gz VXMYUSLNKNNQHP-AAEUAGOBSA-N 1 1 334.445 0.980 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cscn3)C2)C1=O ZINC000969398775 731797016 /nfs/dbraw/zinc/79/70/16/731797016.db2.gz LACNSWUJQVDMJM-RISCZKNCSA-N 1 1 334.445 0.980 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001041808617 782245907 /nfs/dbraw/zinc/24/59/07/782245907.db2.gz LFCFPSCNMKUNFJ-YUELXQCFSA-N 1 1 329.404 0.225 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001041808617 782245912 /nfs/dbraw/zinc/24/59/12/782245912.db2.gz LFCFPSCNMKUNFJ-YUELXQCFSA-N 1 1 329.404 0.225 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000969505728 731934611 /nfs/dbraw/zinc/93/46/11/731934611.db2.gz DKJKSMGCJRUTIW-MNOVXSKESA-N 1 1 329.404 0.604 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000969566230 731973780 /nfs/dbraw/zinc/97/37/80/731973780.db2.gz JQTBALILBRBYRE-HUUCEWRRSA-N 1 1 330.363 0.524 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000969594599 731992580 /nfs/dbraw/zinc/99/25/80/731992580.db2.gz MLUDORFWJYMNCZ-MEBBXXQBSA-N 1 1 346.362 0.742 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cnnn3CC)C2)C1=O ZINC000969624889 732007197 /nfs/dbraw/zinc/00/71/97/732007197.db2.gz OGQUJFGQIRSFBK-JSGCOSHPSA-N 1 1 346.435 0.135 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@@H](C)C#N)C3)C1 ZINC000969694548 732054127 /nfs/dbraw/zinc/05/41/27/732054127.db2.gz KGEVRHXSFDZHML-JONQDZQNSA-N 1 1 348.447 0.457 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@@H](C)C#N)C3)C1 ZINC000969694548 732054130 /nfs/dbraw/zinc/05/41/30/732054130.db2.gz KGEVRHXSFDZHML-JONQDZQNSA-N 1 1 348.447 0.457 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001208963471 732439114 /nfs/dbraw/zinc/43/91/14/732439114.db2.gz LPMNZKLLOAMCRW-XNRPHZJLSA-N 1 1 347.463 0.952 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001208963471 732439115 /nfs/dbraw/zinc/43/91/15/732439115.db2.gz LPMNZKLLOAMCRW-XNRPHZJLSA-N 1 1 347.463 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ncnn2CC)C1 ZINC000969870037 732468005 /nfs/dbraw/zinc/46/80/05/732468005.db2.gz VGVJVOUMGLBDMD-ZBFHGGJFSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ncnn2CC)C1 ZINC000969870037 732468008 /nfs/dbraw/zinc/46/80/08/732468008.db2.gz VGVJVOUMGLBDMD-ZBFHGGJFSA-N 1 1 344.463 0.332 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4ccncc4C3)[C@H]2C1 ZINC001083193736 732626207 /nfs/dbraw/zinc/62/62/07/732626207.db2.gz GNCOBCBEKRKXPU-BPQIPLTHSA-N 1 1 325.412 0.731 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4ccncc4C3)[C@H]2C1 ZINC001083193736 732626210 /nfs/dbraw/zinc/62/62/10/732626210.db2.gz GNCOBCBEKRKXPU-BPQIPLTHSA-N 1 1 325.412 0.731 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCCn2cncn2)CC1 ZINC001098527061 732669124 /nfs/dbraw/zinc/66/91/24/732669124.db2.gz SVTMDXUKTLERRJ-UHFFFAOYSA-N 1 1 333.436 0.367 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001041828334 782287047 /nfs/dbraw/zinc/28/70/47/782287047.db2.gz YYBQYKZWJHIDQE-KRWDZBQOSA-N 1 1 330.388 0.047 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cncc(C(N)=O)c3)[C@H]2C1 ZINC001083278227 738649386 /nfs/dbraw/zinc/64/93/86/738649386.db2.gz NVFHCPNUDCDUJS-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnon2)nn1 ZINC001025107133 738659219 /nfs/dbraw/zinc/65/92/19/738659219.db2.gz ABDGDVNDBBMIQU-CYBMUJFWSA-N 1 1 331.380 0.632 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125326928 733046433 /nfs/dbraw/zinc/04/64/33/733046433.db2.gz CJGCFWXBIMTPBZ-LSDHHAIUSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3nc(C4CC4)nn3C)C2)C1 ZINC001041838987 782316630 /nfs/dbraw/zinc/31/66/30/782316630.db2.gz DEJOLPAWKBRCIT-GOSISDBHSA-N 1 1 327.432 0.793 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)[C@H]2C1 ZINC001083198331 733094116 /nfs/dbraw/zinc/09/41/16/733094116.db2.gz OGZPLDJIWUHJHT-TXCZRRACSA-N 1 1 328.416 0.459 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CNc2cnc(C#N)cn2)C(C)(C)C)C1 ZINC001125828920 738683574 /nfs/dbraw/zinc/68/35/74/738683574.db2.gz YTEQUDAFYXUFFR-ZIAGYGMSSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CNc2cnc(C#N)cn2)C(C)(C)C)C1 ZINC001125828920 738683576 /nfs/dbraw/zinc/68/35/76/738683576.db2.gz YTEQUDAFYXUFFR-ZIAGYGMSSA-N 1 1 346.435 0.622 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC000970196711 733175106 /nfs/dbraw/zinc/17/51/06/733175106.db2.gz YLJRQPNLEFYKAZ-ZDUSSCGKSA-N 1 1 327.388 0.993 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(CC)n3)C2)nn1 ZINC000970205068 733198292 /nfs/dbraw/zinc/19/82/92/733198292.db2.gz CJKMZNJOSBSOSQ-GFCCVEGCSA-N 1 1 330.396 0.080 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC000970224288 733235104 /nfs/dbraw/zinc/23/51/04/733235104.db2.gz MQVKVLJCFVHKSU-WCQYABFASA-N 1 1 344.423 0.846 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3csnn3)C2)C1=O ZINC000970224916 733235765 /nfs/dbraw/zinc/23/57/65/733235765.db2.gz BGCISUQMXUVQBM-GWCFXTLKSA-N 1 1 335.433 0.375 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970354254 733404081 /nfs/dbraw/zinc/40/40/81/733404081.db2.gz OWDVNBZAQXPEPX-WBMJQRKESA-N 1 1 344.390 0.295 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3conc3C)C2)C1=O ZINC000970361438 733415649 /nfs/dbraw/zinc/41/56/49/733415649.db2.gz OBVPKOSQSGNCNZ-IAQYHMDHSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3conc3C)C2)C1=O ZINC000970361441 733415668 /nfs/dbraw/zinc/41/56/68/733415668.db2.gz OBVPKOSQSGNCNZ-XHDPSFHLSA-N 1 1 332.404 0.820 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2O)C1 ZINC000970403507 733476019 /nfs/dbraw/zinc/47/60/19/733476019.db2.gz WTSVCAYWJBTCFT-TUVASFSCSA-N 1 1 335.448 0.371 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1ccc(C#N)cn1 ZINC001104269616 733537204 /nfs/dbraw/zinc/53/72/04/733537204.db2.gz BGXPYNCZWCRPAX-GZBFAFLISA-N 1 1 331.420 0.837 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1ccc(C#N)cn1 ZINC001104269616 733537209 /nfs/dbraw/zinc/53/72/09/733537209.db2.gz BGXPYNCZWCRPAX-GZBFAFLISA-N 1 1 331.420 0.837 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001078135757 782355208 /nfs/dbraw/zinc/35/52/08/782355208.db2.gz PITIBMVFRLWZOF-HUUCEWRRSA-N 1 1 328.376 0.013 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)nc1 ZINC000970517934 733638040 /nfs/dbraw/zinc/63/80/40/733638040.db2.gz FJYBRKWXSCRBNN-CQSZACIVSA-N 1 1 342.378 0.628 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC000970554485 733671114 /nfs/dbraw/zinc/67/11/14/733671114.db2.gz KOMFZMJQIDWKBJ-OCCSQVGLSA-N 1 1 331.420 0.555 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cn(CC)nn1 ZINC001078147960 782380568 /nfs/dbraw/zinc/38/05/68/782380568.db2.gz XGMKYAGVJSMZOJ-ZFWWWQNUSA-N 1 1 346.435 0.020 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cn(CC)nn1 ZINC001078147960 782380575 /nfs/dbraw/zinc/38/05/75/782380575.db2.gz XGMKYAGVJSMZOJ-ZFWWWQNUSA-N 1 1 346.435 0.020 20 30 ECEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)C1CCC1)C2 ZINC001111513959 734119419 /nfs/dbraw/zinc/11/94/19/734119419.db2.gz LDYFKTPCLNLSFV-DZUCGIPZSA-N 1 1 347.459 0.663 20 30 ECEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)C1CCC1)C2 ZINC001111513959 734119421 /nfs/dbraw/zinc/11/94/21/734119421.db2.gz LDYFKTPCLNLSFV-DZUCGIPZSA-N 1 1 347.459 0.663 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3nonc3C)C2)C1=O ZINC000970976597 734139620 /nfs/dbraw/zinc/13/96/20/734139620.db2.gz VJMWFGMURRQRCY-MFKMUULPSA-N 1 1 333.392 0.215 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cnccn3)C2)C1=O ZINC000970992609 734152524 /nfs/dbraw/zinc/15/25/24/734152524.db2.gz CBSXFODYSJBSNL-HIFRSBDPSA-N 1 1 329.404 0.410 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CNc3nccnc3C#N)CC2)C1 ZINC001067476880 734201190 /nfs/dbraw/zinc/20/11/90/734201190.db2.gz GWZFQFQCEKTGLO-CYBMUJFWSA-N 1 1 344.419 0.065 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000973126343 738793122 /nfs/dbraw/zinc/79/31/22/738793122.db2.gz MTFJBVAPBYXTOX-DZKIICNBSA-N 1 1 346.431 0.382 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000973126343 738793128 /nfs/dbraw/zinc/79/31/28/738793128.db2.gz MTFJBVAPBYXTOX-DZKIICNBSA-N 1 1 346.431 0.382 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 ZINC001104322886 734301265 /nfs/dbraw/zinc/30/12/65/734301265.db2.gz FAZHIDJPRZWACO-AWEZNQCLSA-N 1 1 332.408 0.011 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104323515 734303280 /nfs/dbraw/zinc/30/32/80/734303280.db2.gz RXNVADXCOLIUAS-OAHLLOKOSA-N 1 1 346.435 0.402 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC001098548322 734321063 /nfs/dbraw/zinc/32/10/63/734321063.db2.gz RDQDNZLVKRURRJ-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC=CCC2)C1 ZINC001111585175 734336111 /nfs/dbraw/zinc/33/61/11/734336111.db2.gz ISVDLXJPFYRMQB-VKJFTORMSA-N 1 1 330.432 0.953 20 30 ECEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC=CCC2)C1 ZINC001111585175 734336113 /nfs/dbraw/zinc/33/61/13/734336113.db2.gz ISVDLXJPFYRMQB-VKJFTORMSA-N 1 1 330.432 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ncoc3C)C2)C1=O ZINC000971174064 734337365 /nfs/dbraw/zinc/33/73/65/734337365.db2.gz QSPPYZNSKKEZQK-UONOGXRCSA-N 1 1 332.404 0.916 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2ccncc2C#N)CCO1 ZINC001104327959 734343535 /nfs/dbraw/zinc/34/35/35/734343535.db2.gz DEJSMLIVKDRCKQ-HNNXBMFYSA-N 1 1 331.420 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3cnn(C)c3)C2)C1=O ZINC000971197637 734353589 /nfs/dbraw/zinc/35/35/89/734353589.db2.gz KWXYHMFYNSIOTD-JKSUJKDBSA-N 1 1 345.447 0.282 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000971210376 734362440 /nfs/dbraw/zinc/36/24/40/734362440.db2.gz GZBHGQFSCAYSGE-RYUDHWBXSA-N 1 1 335.408 0.009 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(c2ncccc2C#N)CCO1 ZINC001104334511 734398539 /nfs/dbraw/zinc/39/85/39/734398539.db2.gz HHYKPKHYOVUWTL-OAHLLOKOSA-N 1 1 340.387 0.480 20 30 ECEDMO C[N@@H+](C[C@H]1CCc2ncnn21)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363659 734475481 /nfs/dbraw/zinc/47/54/81/734475481.db2.gz BBTZFAADRSDMKS-UONOGXRCSA-N 1 1 339.403 0.812 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971364482 734476719 /nfs/dbraw/zinc/47/67/19/734476719.db2.gz YLJURWBIJHTNCQ-ZDUSSCGKSA-N 1 1 330.392 0.058 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104350136 734523577 /nfs/dbraw/zinc/52/35/77/734523577.db2.gz PCLDCGCWFXVIKH-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](CC)OC)C[C@@H]32)nn1 ZINC001083217963 734565343 /nfs/dbraw/zinc/56/53/43/734565343.db2.gz VZSYMHOIBXFGEV-CWRNSKLLSA-N 1 1 349.435 0.414 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078174406 782428108 /nfs/dbraw/zinc/42/81/08/782428108.db2.gz KHLZZQIPUUSKSA-BRWVUGGUSA-N 1 1 328.416 0.171 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)CCO1 ZINC000971512198 734698502 /nfs/dbraw/zinc/69/85/02/734698502.db2.gz ZTPXNPREFNJPCA-HOCLYGCPSA-N 1 1 333.432 0.180 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)CCO1 ZINC000971512198 734698504 /nfs/dbraw/zinc/69/85/04/734698504.db2.gz ZTPXNPREFNJPCA-HOCLYGCPSA-N 1 1 333.432 0.180 20 30 ECEDMO C[N@@H+](Cc1cc(=O)n2nccc2[nH]1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971509904 734699667 /nfs/dbraw/zinc/69/96/67/734699667.db2.gz WTKSBGSMMHHNCF-OAHLLOKOSA-N 1 1 339.399 0.469 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971544470 734737394 /nfs/dbraw/zinc/73/73/94/734737394.db2.gz BLHOSNQRBNYLEB-CQSZACIVSA-N 1 1 343.366 0.417 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971544470 734737398 /nfs/dbraw/zinc/73/73/98/734737398.db2.gz BLHOSNQRBNYLEB-CQSZACIVSA-N 1 1 343.366 0.417 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545125 734738996 /nfs/dbraw/zinc/73/89/96/734738996.db2.gz KZAQDCJFEYZCMZ-HNNXBMFYSA-N 1 1 325.376 0.278 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001078190347 782464503 /nfs/dbraw/zinc/46/45/03/782464503.db2.gz ZPMAZJQXWOQAMY-CHWSQXEVSA-N 1 1 326.828 0.891 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000972043863 735551783 /nfs/dbraw/zinc/55/17/83/735551783.db2.gz CUGSODGHXAEENG-CQSZACIVSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cnoc3)C2)C1=O ZINC000972155014 735720502 /nfs/dbraw/zinc/72/05/02/735720502.db2.gz SIIFSLIVMLJLJI-CABCVRRESA-N 1 1 332.404 0.537 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cnoc3)C2)C1=O ZINC000972155015 735720664 /nfs/dbraw/zinc/72/06/64/735720664.db2.gz SIIFSLIVMLJLJI-GJZGRUSLSA-N 1 1 332.404 0.537 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001041960069 782496768 /nfs/dbraw/zinc/49/67/68/782496768.db2.gz GTTHGPPQZSYWJI-CABCVRRESA-N 1 1 335.448 0.517 20 30 ECEDMO C=CCN1CC[C@@H](N(C)[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000972235299 735821870 /nfs/dbraw/zinc/82/18/70/735821870.db2.gz MWYSFLJOZYGURG-DLBZAZTESA-N 1 1 348.491 0.648 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001041960823 782497851 /nfs/dbraw/zinc/49/78/51/782497851.db2.gz WOTKQTXTKZIZBK-HNNXBMFYSA-N 1 1 337.464 0.620 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)N3CCCC3=O)[C@H]2C1 ZINC001083246293 735892059 /nfs/dbraw/zinc/89/20/59/735892059.db2.gz JTRQNSLLRBZVJF-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)N3CCCC3=O)[C@H]2C1 ZINC001083246293 735892065 /nfs/dbraw/zinc/89/20/65/735892065.db2.gz JTRQNSLLRBZVJF-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001041963585 782503066 /nfs/dbraw/zinc/50/30/66/782503066.db2.gz UKBKPTFGNPKKIT-CQSZACIVSA-N 1 1 346.431 0.410 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc4nc(C)nn43)[C@H]2C1 ZINC001083246833 735971433 /nfs/dbraw/zinc/97/14/33/735971433.db2.gz MNLNHMOHAFDRGK-LSDHHAIUSA-N 1 1 342.403 0.534 20 30 ECEDMO CO[C@@H](C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972348022 735982992 /nfs/dbraw/zinc/98/29/92/735982992.db2.gz FRNCOHYJJJQBQQ-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972348022 735982996 /nfs/dbraw/zinc/98/29/96/735982996.db2.gz FRNCOHYJJJQBQQ-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3cn[nH]n3)C2)C1=O ZINC000972370510 736024883 /nfs/dbraw/zinc/02/48/83/736024883.db2.gz PWUWZZSCCKCMPD-GJZGRUSLSA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)CCc3c[nH]nn3)C2)C1=O ZINC000972370510 736024889 /nfs/dbraw/zinc/02/48/89/736024889.db2.gz PWUWZZSCCKCMPD-GJZGRUSLSA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3c[nH]nn3)C2)C1=O ZINC000972370510 736024893 /nfs/dbraw/zinc/02/48/93/736024893.db2.gz PWUWZZSCCKCMPD-GJZGRUSLSA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380869 736049966 /nfs/dbraw/zinc/04/99/66/736049966.db2.gz LBRDNJYRPSBYTH-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)CC1 ZINC001098569403 736077071 /nfs/dbraw/zinc/07/70/71/736077071.db2.gz JJPMHWZGEWKUOQ-YOEHRIQHSA-N 1 1 337.464 0.456 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001041966677 782508795 /nfs/dbraw/zinc/50/87/95/782508795.db2.gz RIWKYIIUSZUDDZ-HUUCEWRRSA-N 1 1 335.448 0.659 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001098570433 736112017 /nfs/dbraw/zinc/11/20/17/736112017.db2.gz BLJQENLVCMNAFW-OAHLLOKOSA-N 1 1 347.463 0.702 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394202 736114113 /nfs/dbraw/zinc/11/41/13/736114113.db2.gz AHTPZSWTROXBRK-QGZVFWFLSA-N 1 1 340.387 0.065 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394202 736114115 /nfs/dbraw/zinc/11/41/15/736114115.db2.gz AHTPZSWTROXBRK-QGZVFWFLSA-N 1 1 340.387 0.065 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccnn3C)C2)C1 ZINC000972402941 736128444 /nfs/dbraw/zinc/12/84/44/736128444.db2.gz XZIAEDHSCLOOKN-SFHVURJKSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccnn3C)C2)C1 ZINC000972402941 736128445 /nfs/dbraw/zinc/12/84/45/736128445.db2.gz XZIAEDHSCLOOKN-SFHVURJKSA-N 1 1 330.432 0.679 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001078221191 782513753 /nfs/dbraw/zinc/51/37/53/782513753.db2.gz MBJFCHWWLPBLJA-OWCLPIDISA-N 1 1 337.464 0.761 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CN(CC#N)CCO3)C1 ZINC000972406725 736133923 /nfs/dbraw/zinc/13/39/23/736133923.db2.gz AWGKVCPZYVIUMK-SJLPKXTDSA-N 1 1 334.464 0.791 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 ZINC000972409696 736141833 /nfs/dbraw/zinc/14/18/33/736141833.db2.gz SJYYYQWVFADJJD-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@]2(C1)C[N@H+](C[C@@H](C)O)CCO2 ZINC000972414283 736151874 /nfs/dbraw/zinc/15/18/74/736151874.db2.gz YUYUJWNDOGDCKM-QAPCUYQASA-N 1 1 333.432 0.972 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@]2(C1)C[N@@H+](C[C@@H](C)O)CCO2 ZINC000972414283 736151877 /nfs/dbraw/zinc/15/18/77/736151877.db2.gz YUYUJWNDOGDCKM-QAPCUYQASA-N 1 1 333.432 0.972 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccnnc3)C2)C1=O ZINC000972418046 736157577 /nfs/dbraw/zinc/15/75/77/736157577.db2.gz BDEPCOJFIUVTDO-GJZGRUSLSA-N 1 1 329.404 0.410 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n[nH]cc4c3)C2)C1 ZINC000972427991 736174279 /nfs/dbraw/zinc/17/42/79/736174279.db2.gz DKPIIILFQRZLKS-SFHVURJKSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n[nH]cc4c3)C2)C1 ZINC000972427991 736174284 /nfs/dbraw/zinc/17/42/84/736174284.db2.gz DKPIIILFQRZLKS-SFHVURJKSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(N)=O)c3)C2)C1 ZINC000972439766 736198015 /nfs/dbraw/zinc/19/80/15/736198015.db2.gz XYAHPQAREXTNGM-IBGZPJMESA-N 1 1 341.411 0.726 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(N)=O)c3)C2)C1 ZINC000972439766 736198016 /nfs/dbraw/zinc/19/80/16/736198016.db2.gz XYAHPQAREXTNGM-IBGZPJMESA-N 1 1 341.411 0.726 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@]3(C2)CN(CC#N)CCO3)no1 ZINC000972444299 736211222 /nfs/dbraw/zinc/21/12/22/736211222.db2.gz QVXFWHJRPSVGNL-MRXNPFEDSA-N 1 1 333.392 0.177 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 ZINC000972458478 736252100 /nfs/dbraw/zinc/25/21/00/736252100.db2.gz JZBYUMFHPAJDHE-YJBOKZPZSA-N 1 1 333.432 0.372 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 ZINC000972458478 736252103 /nfs/dbraw/zinc/25/21/03/736252103.db2.gz JZBYUMFHPAJDHE-YJBOKZPZSA-N 1 1 333.432 0.372 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C ZINC001041970506 782516688 /nfs/dbraw/zinc/51/66/88/782516688.db2.gz NLAUACUILZGREV-BXUZGUMPSA-N 1 1 325.376 0.494 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000972473692 736289244 /nfs/dbraw/zinc/28/92/44/736289244.db2.gz DUDIZQCIENFNLY-ORVJBUBXSA-N 1 1 330.428 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000972473692 736289245 /nfs/dbraw/zinc/28/92/45/736289245.db2.gz DUDIZQCIENFNLY-ORVJBUBXSA-N 1 1 330.428 0.736 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 ZINC000972479289 736301401 /nfs/dbraw/zinc/30/14/01/736301401.db2.gz SXIJPYZDUSDISH-KRWDZBQOSA-N 1 1 333.436 0.720 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)C1 ZINC000972479602 736302722 /nfs/dbraw/zinc/30/27/22/736302722.db2.gz WRWCNHJNBRDTAR-MDZRGWNJSA-N 1 1 342.443 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)C1 ZINC000972479602 736302726 /nfs/dbraw/zinc/30/27/26/736302726.db2.gz WRWCNHJNBRDTAR-MDZRGWNJSA-N 1 1 342.443 0.850 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCN(CC)C3=O)C2)nn1 ZINC000972507303 736463805 /nfs/dbraw/zinc/46/38/05/736463805.db2.gz SEBIIOYPDHANQW-UKRRQHHQSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)nn1 ZINC000972516085 736523716 /nfs/dbraw/zinc/52/37/16/736523716.db2.gz HFXUFAXGMQXCDZ-OCCSQVGLSA-N 1 1 334.424 0.264 20 30 ECEDMO C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001039573561 736566243 /nfs/dbraw/zinc/56/62/43/736566243.db2.gz IWDCNZZSSVZTEO-CRAIPNDOSA-N 1 1 335.448 0.211 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@]3(C1)CN(CC#N)CCO3)CC2 ZINC000972525182 736570294 /nfs/dbraw/zinc/57/02/94/736570294.db2.gz ZPPUBSUICDEJJY-MAUKXSAKSA-N 1 1 343.431 0.581 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000972539925 736633807 /nfs/dbraw/zinc/63/38/07/736633807.db2.gz KJLVNAPMRGPZES-ROUUACIJSA-N 1 1 335.448 0.925 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]21 ZINC001083259451 736644961 /nfs/dbraw/zinc/64/49/61/736644961.db2.gz BKTGFNJDNVCWRQ-FHLIZLRMSA-N 1 1 328.412 0.503 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972547125 736667569 /nfs/dbraw/zinc/66/75/69/736667569.db2.gz VVTXAUPZFCCBGN-YJBOKZPZSA-N 1 1 333.432 0.372 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972547125 736667572 /nfs/dbraw/zinc/66/75/72/736667572.db2.gz VVTXAUPZFCCBGN-YJBOKZPZSA-N 1 1 333.432 0.372 20 30 ECEDMO C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000972552950 736706405 /nfs/dbraw/zinc/70/64/05/736706405.db2.gz WVXMPGWEEPHZEN-VQIMIIECSA-N 1 1 342.443 0.690 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cn(C)nn3)C2)C1=O ZINC001023351219 736721870 /nfs/dbraw/zinc/72/18/70/736721870.db2.gz TUHZIQJQIPNAQW-HIFRSBDPSA-N 1 1 346.435 0.044 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001023403308 736779882 /nfs/dbraw/zinc/77/98/82/736779882.db2.gz JBUUHDZCKLJIPP-HZPDHXFCSA-N 1 1 335.448 0.333 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001023404844 736788510 /nfs/dbraw/zinc/78/85/10/736788510.db2.gz XFYBDMRJGUWBNF-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CC(C)(C)O)C1 ZINC001059847224 751379956 /nfs/dbraw/zinc/37/99/56/751379956.db2.gz NUBGEMOMXUORMP-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CC(C)(C)O)C1 ZINC001059847224 751379962 /nfs/dbraw/zinc/37/99/62/751379962.db2.gz NUBGEMOMXUORMP-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC([N@@H+](CCO)C[C@H]2CCOC2)CC1 ZINC001098577259 736890226 /nfs/dbraw/zinc/89/02/26/736890226.db2.gz GPOZTRKTRHFNFC-JKSUJKDBSA-N 1 1 340.464 0.899 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC([N@H+](CCO)Cc2ncccn2)CC1 ZINC001098577521 736942295 /nfs/dbraw/zinc/94/22/95/736942295.db2.gz LIDADKOPGASQGC-OAHLLOKOSA-N 1 1 348.447 0.853 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC([N@@H+](CCO)Cc2ncccn2)CC1 ZINC001098577521 736942296 /nfs/dbraw/zinc/94/22/96/736942296.db2.gz LIDADKOPGASQGC-OAHLLOKOSA-N 1 1 348.447 0.853 20 30 ECEDMO C=CCCOCC(=O)N1CCC([N@H+](CCO)CCOCC)CC1 ZINC001098577831 736994874 /nfs/dbraw/zinc/99/48/74/736994874.db2.gz SCADLUSERPPVFX-UHFFFAOYSA-N 1 1 328.453 0.901 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001023583222 737039263 /nfs/dbraw/zinc/03/92/63/737039263.db2.gz BJABYCKINSLENL-GOEBONIOSA-N 1 1 326.400 0.393 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC000972603421 737068903 /nfs/dbraw/zinc/06/89/03/737068903.db2.gz VUDUYBOTKFTHKE-QGZVFWFLSA-N 1 1 342.403 0.617 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972627911 737148296 /nfs/dbraw/zinc/14/82/96/737148296.db2.gz LJHSOSOPLCWZKG-VQIMIIECSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972627911 737148298 /nfs/dbraw/zinc/14/82/98/737148298.db2.gz LJHSOSOPLCWZKG-VQIMIIECSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972628243 737152819 /nfs/dbraw/zinc/15/28/19/737152819.db2.gz PKKGKUKPIZLWSC-CRAIPNDOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972628243 737152823 /nfs/dbraw/zinc/15/28/23/737152823.db2.gz PKKGKUKPIZLWSC-CRAIPNDOSA-N 1 1 335.448 0.877 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001023674096 737178069 /nfs/dbraw/zinc/17/80/69/737178069.db2.gz KQKORSVIKOZXQA-HZPDHXFCSA-N 1 1 345.447 0.780 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972644213 737239078 /nfs/dbraw/zinc/23/90/78/737239078.db2.gz WCUGOWLSLKRWEE-WMZOPIPTSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972644213 737239081 /nfs/dbraw/zinc/23/90/81/737239081.db2.gz WCUGOWLSLKRWEE-WMZOPIPTSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000972670371 737322158 /nfs/dbraw/zinc/32/21/58/737322158.db2.gz JOZVILRBNMYKGN-NSHDSACASA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000972670371 737322167 /nfs/dbraw/zinc/32/21/67/737322167.db2.gz JOZVILRBNMYKGN-NSHDSACASA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972675149 737347507 /nfs/dbraw/zinc/34/75/07/737347507.db2.gz WBARARVCRQQMEF-SFHVURJKSA-N 1 1 335.448 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972675149 737347512 /nfs/dbraw/zinc/34/75/12/737347512.db2.gz WBARARVCRQQMEF-SFHVURJKSA-N 1 1 335.448 0.878 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000972681325 737368775 /nfs/dbraw/zinc/36/87/75/737368775.db2.gz WDJLECDIOPXVGP-AWEZNQCLSA-N 1 1 333.436 0.490 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)C1 ZINC000972704033 737495547 /nfs/dbraw/zinc/49/55/47/737495547.db2.gz YCDNZEHHYGWFHI-MAUKXSAKSA-N 1 1 330.432 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)C1 ZINC000972704033 737495550 /nfs/dbraw/zinc/49/55/50/737495550.db2.gz YCDNZEHHYGWFHI-MAUKXSAKSA-N 1 1 330.432 0.850 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cn(CC)cn3)C2)C1=O ZINC000972740782 737580218 /nfs/dbraw/zinc/58/02/18/737580218.db2.gz SUKKHVORUFSUSQ-HOCLYGCPSA-N 1 1 345.447 0.836 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC000972756316 737597559 /nfs/dbraw/zinc/59/75/59/737597559.db2.gz KPUVDFBBAOFWBU-HIFRSBDPSA-N 1 1 342.399 0.128 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972760314 737599683 /nfs/dbraw/zinc/59/96/83/737599683.db2.gz RHLPUXXFUACSGW-FZMZJTMJSA-N 1 1 332.429 0.931 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCCC[NH2+]Cc1nnc(CC)o1 ZINC001167684456 737750052 /nfs/dbraw/zinc/75/00/52/737750052.db2.gz IPNZVFUAGLBCGS-ZDUSSCGKSA-N 1 1 337.424 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cn[nH]c3)C(C)(C)C2)C1=O ZINC000972834530 737758306 /nfs/dbraw/zinc/75/83/06/737758306.db2.gz KGAPXPQISMXRAI-KGLIPLIRSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cn[nH]c3)C(C)(C)C2)C1=O ZINC000972834530 737758309 /nfs/dbraw/zinc/75/83/09/737758309.db2.gz KGAPXPQISMXRAI-KGLIPLIRSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001024229058 737834084 /nfs/dbraw/zinc/83/40/84/737834084.db2.gz KORNJEGQHZFABM-FVQBIDKESA-N 1 1 346.431 0.070 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)C2=COCCO2)C1=O ZINC001024316364 737898179 /nfs/dbraw/zinc/89/81/79/737898179.db2.gz OCBAYJNSFCTSAU-CABCVRRESA-N 1 1 349.431 0.632 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)C2=COCCO2)C1=O ZINC001024316364 737898180 /nfs/dbraw/zinc/89/81/80/737898180.db2.gz OCBAYJNSFCTSAU-CABCVRRESA-N 1 1 349.431 0.632 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ccn[nH]2)C1=O ZINC001024346867 737912414 /nfs/dbraw/zinc/91/24/14/737912414.db2.gz SZGVJJHAQQHHPU-DZGCQCFKSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ccn[nH]2)C1=O ZINC001024346867 737912416 /nfs/dbraw/zinc/91/24/16/737912416.db2.gz SZGVJJHAQQHHPU-DZGCQCFKSA-N 1 1 331.420 0.781 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1COCCN1CC(F)F ZINC001024575560 738122282 /nfs/dbraw/zinc/12/22/82/738122282.db2.gz LBNBLHIWZGRBEX-ZIAGYGMSSA-N 1 1 329.391 0.556 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCCC[N@H+]2CCn2cncn2)c1 ZINC001024644669 738197647 /nfs/dbraw/zinc/19/76/47/738197647.db2.gz VAWGNYKFVBLCRO-KRWDZBQOSA-N 1 1 338.415 0.939 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001024750609 738267470 /nfs/dbraw/zinc/26/74/70/738267470.db2.gz VSPXNHSMHIQBTO-HNNXBMFYSA-N 1 1 331.420 0.847 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001024750609 738267472 /nfs/dbraw/zinc/26/74/72/738267472.db2.gz VSPXNHSMHIQBTO-HNNXBMFYSA-N 1 1 331.420 0.847 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001024760538 738273012 /nfs/dbraw/zinc/27/30/12/738273012.db2.gz VKEUOPLGZGGLTI-LBPRGKRZSA-N 1 1 328.376 0.025 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CCC3=O)C(C)(C)[C@@H]21 ZINC001087317879 738281525 /nfs/dbraw/zinc/28/15/25/738281525.db2.gz OFAHCJUETZGULK-FSPWUOQZSA-N 1 1 345.443 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3C(=O)CCC3=O)C(C)(C)[C@H]21 ZINC001087317486 738284156 /nfs/dbraw/zinc/28/41/56/738284156.db2.gz JATOAPBUVFFCRL-DQYPLSBCSA-N 1 1 331.416 0.374 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001024781081 738294706 /nfs/dbraw/zinc/29/47/06/738294706.db2.gz MAIICFZTDYSTOY-GFCCVEGCSA-N 1 1 325.372 0.948 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001024781081 738294709 /nfs/dbraw/zinc/29/47/09/738294709.db2.gz MAIICFZTDYSTOY-GFCCVEGCSA-N 1 1 325.372 0.948 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001024799852 738309784 /nfs/dbraw/zinc/30/97/84/738309784.db2.gz QSLIEPZYJWTBQI-GDBMZVCRSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001024799852 738309790 /nfs/dbraw/zinc/30/97/90/738309790.db2.gz QSLIEPZYJWTBQI-GDBMZVCRSA-N 1 1 345.447 0.791 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001024814036 738314211 /nfs/dbraw/zinc/31/42/11/738314211.db2.gz MSNVPGZVUKGVSN-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)c2ccn[nH]2)C1=O ZINC001024881822 738366739 /nfs/dbraw/zinc/36/67/39/738366739.db2.gz UIWSHWQJLWQXHO-KGLIPLIRSA-N 1 1 331.420 0.781 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025244388 738910696 /nfs/dbraw/zinc/91/06/96/738910696.db2.gz JDEOKRIVPKPJOE-GJZGRUSLSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cn(C)c(=O)cn1 ZINC001025253641 738947269 /nfs/dbraw/zinc/94/72/69/738947269.db2.gz WQGUTVZRUIDCMH-HZPDHXFCSA-N 1 1 328.416 0.873 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000973242608 738965633 /nfs/dbraw/zinc/96/56/33/738965633.db2.gz GALHAESGMVNTKJ-LPWJVIDDSA-N 1 1 325.359 0.503 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000973242608 738965637 /nfs/dbraw/zinc/96/56/37/738965637.db2.gz GALHAESGMVNTKJ-LPWJVIDDSA-N 1 1 325.359 0.503 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025276804 738997286 /nfs/dbraw/zinc/99/72/86/738997286.db2.gz KZULEWVLWDUJHP-ZIAGYGMSSA-N 1 1 332.404 0.017 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025298630 739019439 /nfs/dbraw/zinc/01/94/39/739019439.db2.gz YNDBXGIHJGVPDD-UONOGXRCSA-N 1 1 332.404 0.017 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccnc(C#N)n1 ZINC001104590127 739146023 /nfs/dbraw/zinc/14/60/23/739146023.db2.gz LSGHZCSRNWLFRF-KGLIPLIRSA-N 1 1 330.436 0.903 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)N(C)C)nn1 ZINC001028187172 751418222 /nfs/dbraw/zinc/41/82/22/751418222.db2.gz DRBTWGWCYCWIFG-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(C)C)nn1 ZINC001028187172 751418227 /nfs/dbraw/zinc/41/82/27/751418227.db2.gz DRBTWGWCYCWIFG-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000973410373 739223488 /nfs/dbraw/zinc/22/34/88/739223488.db2.gz IMSAZOIVTZCNSE-YDHLFZDLSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000973410373 739223490 /nfs/dbraw/zinc/22/34/90/739223490.db2.gz IMSAZOIVTZCNSE-YDHLFZDLSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC000973410835 739224309 /nfs/dbraw/zinc/22/43/09/739224309.db2.gz VGWWZDZPCCUAKU-KKUMJFAQSA-N 1 1 343.431 0.501 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC000973410835 739224312 /nfs/dbraw/zinc/22/43/12/739224312.db2.gz VGWWZDZPCCUAKU-KKUMJFAQSA-N 1 1 343.431 0.501 20 30 ECEDMO COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1C ZINC001104627363 739293667 /nfs/dbraw/zinc/29/36/67/739293667.db2.gz GPQHYIKBLPHMNZ-ZIAGYGMSSA-N 1 1 334.420 0.463 20 30 ECEDMO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1C ZINC001104628403 739295167 /nfs/dbraw/zinc/29/51/67/739295167.db2.gz SBTDTFJADXMJSR-CHWSQXEVSA-N 1 1 349.435 0.116 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC001028192913 751433382 /nfs/dbraw/zinc/43/33/82/751433382.db2.gz NADYTNCMUWUDTR-SOLBZPMBSA-N 1 1 340.427 0.815 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001058914938 751451724 /nfs/dbraw/zinc/45/17/24/751451724.db2.gz ABNTWZMDZOWELZ-KBPBESRZSA-N 1 1 328.420 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001025527763 739690911 /nfs/dbraw/zinc/69/09/11/739690911.db2.gz LGQDGCIXABLQTK-LSDHHAIUSA-N 1 1 344.459 0.987 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001025544827 739705797 /nfs/dbraw/zinc/70/57/97/739705797.db2.gz CCRSUYSNCHYFCE-KGLIPLIRSA-N 1 1 348.447 0.490 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001025593291 739754620 /nfs/dbraw/zinc/75/46/20/739754620.db2.gz ARMJWYOUSJLDHL-QWHCGFSZSA-N 1 1 344.419 0.824 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(C)nn(C)c4n3)[C@H]2C1 ZINC001083284685 739803770 /nfs/dbraw/zinc/80/37/70/739803770.db2.gz JXBVQZRGUKXMGU-JKSUJKDBSA-N 1 1 341.415 0.988 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(C)nn(C)c4n3)[C@H]2C1 ZINC001083284685 739803774 /nfs/dbraw/zinc/80/37/74/739803774.db2.gz JXBVQZRGUKXMGU-JKSUJKDBSA-N 1 1 341.415 0.988 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001028203014 751483659 /nfs/dbraw/zinc/48/36/59/751483659.db2.gz MTKYWVBBZFWETJ-ZDUSSCGKSA-N 1 1 327.388 0.549 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnc(C)cn3)C2)nn1 ZINC001098603970 739834044 /nfs/dbraw/zinc/83/40/44/739834044.db2.gz CXSVBPDDPYFQPK-AWEZNQCLSA-N 1 1 327.392 0.739 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCCCO2)C1=O ZINC001025732252 739907872 /nfs/dbraw/zinc/90/78/72/739907872.db2.gz LMUWIXRLCXFVBM-ZNFSNMQZSA-N 1 1 347.459 0.779 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N ZINC001058659251 739913265 /nfs/dbraw/zinc/91/32/65/739913265.db2.gz VWQGGVOWHSZBEL-GJZGRUSLSA-N 1 1 338.452 0.346 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CCC2)C1 ZINC001111777345 740090232 /nfs/dbraw/zinc/09/02/32/740090232.db2.gz AODFWRXDTFFMBY-ZDUSSCGKSA-N 1 1 330.392 0.130 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CCC2)C1 ZINC001111777345 740090235 /nfs/dbraw/zinc/09/02/35/740090235.db2.gz AODFWRXDTFFMBY-ZDUSSCGKSA-N 1 1 330.392 0.130 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CCO2 ZINC001068464072 790321082 /nfs/dbraw/zinc/32/10/82/790321082.db2.gz VZTGLJSKKIXIHY-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@H]2C(N)=O)s1 ZINC001025937596 740266142 /nfs/dbraw/zinc/26/61/42/740266142.db2.gz PNHXIPOPWVVGTQ-SEBNEYGDSA-N 1 1 344.440 0.678 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@@H]2C(N)=O)s1 ZINC001025937595 740266197 /nfs/dbraw/zinc/26/61/97/740266197.db2.gz PNHXIPOPWVVGTQ-BTFPBAQTSA-N 1 1 344.440 0.678 20 30 ECEDMO CN(C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cnc(C#N)cn1 ZINC001058691011 740486630 /nfs/dbraw/zinc/48/66/30/740486630.db2.gz ZXMPSDNDJVNZHI-GJZGRUSLSA-N 1 1 342.447 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC1=CCOCC1 ZINC001078234758 782534400 /nfs/dbraw/zinc/53/44/00/782534400.db2.gz OHHZXUYJSYWWQX-RDJZCZTQSA-N 1 1 347.459 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC1=CCOCC1 ZINC001078234758 782534414 /nfs/dbraw/zinc/53/44/14/782534414.db2.gz OHHZXUYJSYWWQX-RDJZCZTQSA-N 1 1 347.459 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000973905277 740571107 /nfs/dbraw/zinc/57/11/07/740571107.db2.gz XBQXYQBXYACRSK-FZKCQIBNSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000973905277 740571109 /nfs/dbraw/zinc/57/11/09/740571109.db2.gz XBQXYQBXYACRSK-FZKCQIBNSA-N 1 1 333.432 0.417 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001020412498 751560151 /nfs/dbraw/zinc/56/01/51/751560151.db2.gz ITUWPVHEOSSURO-GUTXKFCHSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000982073816 751565273 /nfs/dbraw/zinc/56/52/73/751565273.db2.gz GPTZGNUFWVTUPB-UHFFFAOYSA-N 1 1 328.416 0.825 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cncs2)C1 ZINC000973927956 740612349 /nfs/dbraw/zinc/61/23/49/740612349.db2.gz YRXMRWIYTLZZIB-XQQFMLRXSA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cncs2)C1 ZINC000973927956 740612352 /nfs/dbraw/zinc/61/23/52/740612352.db2.gz YRXMRWIYTLZZIB-XQQFMLRXSA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC1(C)CC1 ZINC001058697455 740626071 /nfs/dbraw/zinc/62/60/71/740626071.db2.gz SBWQSJTWBLMKRQ-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC1(C)CC1 ZINC001058697455 740626075 /nfs/dbraw/zinc/62/60/75/740626075.db2.gz SBWQSJTWBLMKRQ-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000988114423 751581587 /nfs/dbraw/zinc/58/15/87/751581587.db2.gz SZBABEJJYPYKNK-RISCZKNCSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC000982106851 751597032 /nfs/dbraw/zinc/59/70/32/751597032.db2.gz AIEAYLXDENFPIK-AWEZNQCLSA-N 1 1 329.404 0.411 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC000982113215 751606502 /nfs/dbraw/zinc/60/65/02/751606502.db2.gz KKRCYHQFZYYLAX-UHFFFAOYSA-N 1 1 339.399 0.996 20 30 ECEDMO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C ZINC001105011930 741162891 /nfs/dbraw/zinc/16/28/91/741162891.db2.gz VPDOOQUDTHJRIT-HZPDHXFCSA-N 1 1 336.480 0.459 20 30 ECEDMO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@H]21 ZINC001026397616 741220651 /nfs/dbraw/zinc/22/06/51/741220651.db2.gz OMKSBDNDHYCESR-APHBMKBZSA-N 1 1 338.415 0.884 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCO[C@H]3C=C)C2)nn1 ZINC001105243202 741544505 /nfs/dbraw/zinc/54/45/05/741544505.db2.gz YYIFOBKUDRDABW-CVEARBPZSA-N 1 1 331.420 0.918 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3ccn(CC)n3)C2)nn1 ZINC001105244196 741548990 /nfs/dbraw/zinc/54/89/90/741548990.db2.gz PWYYNNALQHMWRE-UHFFFAOYSA-N 1 1 343.435 0.786 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3CC)C2)nn1 ZINC001105265091 741603602 /nfs/dbraw/zinc/60/36/02/741603602.db2.gz XUMCXYXODQBTKN-UHFFFAOYSA-N 1 1 329.408 0.547 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4ncnn43)C2)nn1 ZINC001105276440 741629224 /nfs/dbraw/zinc/62/92/24/741629224.db2.gz IGJNESAFJKUFKM-UHFFFAOYSA-N 1 1 338.375 0.294 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3nc(C)c(C)nc3C)C2)nn1 ZINC001105278555 741633543 /nfs/dbraw/zinc/63/35/43/741633543.db2.gz KCYJXFCKPXASLW-UHFFFAOYSA-N 1 1 341.419 0.966 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(CCOC)n3)C2)nn1 ZINC001105280766 741636825 /nfs/dbraw/zinc/63/68/25/741636825.db2.gz BRQAXCKLADMKGS-UHFFFAOYSA-N 1 1 345.407 0.094 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3coc(OC)n3)C2)nn1 ZINC001105292126 741655730 /nfs/dbraw/zinc/65/57/30/741655730.db2.gz AGAIUECZIBIYAA-UHFFFAOYSA-N 1 1 332.364 0.638 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470881 741775849 /nfs/dbraw/zinc/77/58/49/741775849.db2.gz DJHOUCPKDQLOIV-AWEZNQCLSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470881 741775851 /nfs/dbraw/zinc/77/58/51/741775851.db2.gz DJHOUCPKDQLOIV-AWEZNQCLSA-N 1 1 329.404 0.605 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCOC[C@@H]3C)C2)nn1 ZINC001105322122 741784064 /nfs/dbraw/zinc/78/40/64/741784064.db2.gz ALKJMCWBVLQVED-XJKSGUPXSA-N 1 1 333.436 1.000 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(n3cc(C[NH2+]CCOCCO)nn3)C2)C1 ZINC001105323956 741790162 /nfs/dbraw/zinc/79/01/62/741790162.db2.gz LQRVEXDCWOUXBP-UHFFFAOYSA-N 1 1 349.435 0.116 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327159 741812501 /nfs/dbraw/zinc/81/25/01/741812501.db2.gz UMOOTCXNFVPMKL-AWEZNQCLSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2sccc2-n2cnnn2)C(C)(C)C1 ZINC000974775636 742175220 /nfs/dbraw/zinc/17/52/20/742175220.db2.gz NYXCYHJDUDEIAC-LBPRGKRZSA-N 1 1 330.417 0.797 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2sccc2-n2cnnn2)C(C)(C)C1 ZINC000974775636 742175221 /nfs/dbraw/zinc/17/52/21/742175221.db2.gz NYXCYHJDUDEIAC-LBPRGKRZSA-N 1 1 330.417 0.797 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc3c2nnn3C)C(C)(C)C1 ZINC000974984909 742433693 /nfs/dbraw/zinc/43/36/93/742433693.db2.gz NARVIGNKJVWALJ-CYBMUJFWSA-N 1 1 326.404 0.827 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)CC2(C)C)c1 ZINC000975008490 742444549 /nfs/dbraw/zinc/44/45/49/742444549.db2.gz ANFZDICPGMRZKJ-SWLSCSKDSA-N 1 1 328.416 0.638 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)c1 ZINC000975008490 742444550 /nfs/dbraw/zinc/44/45/50/742444550.db2.gz ANFZDICPGMRZKJ-SWLSCSKDSA-N 1 1 328.416 0.638 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1 ZINC000975031005 742462703 /nfs/dbraw/zinc/46/27/03/742462703.db2.gz PJTQVCYBAGKYFF-QLFBSQMISA-N 1 1 335.448 0.472 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC(=O)NC2CC2)CC1(C)C ZINC000975065522 742470597 /nfs/dbraw/zinc/47/05/97/742470597.db2.gz PMWAGNZWSNMJMS-ILXRZTDVSA-N 1 1 335.448 0.683 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](CC(=O)NC2CC2)CC1(C)C ZINC000975065522 742470600 /nfs/dbraw/zinc/47/06/00/742470600.db2.gz PMWAGNZWSNMJMS-ILXRZTDVSA-N 1 1 335.448 0.683 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC000975212699 742609836 /nfs/dbraw/zinc/60/98/36/742609836.db2.gz AOUNNOPCGHPKKR-RRFJBIMHSA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000975213210 742610451 /nfs/dbraw/zinc/61/04/51/742610451.db2.gz PSLQBYJKHFKFGS-USXIJHARSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000975360529 742751404 /nfs/dbraw/zinc/75/14/04/742751404.db2.gz JGPUGLFFKBGXHI-YESZJQIVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000975360529 742751405 /nfs/dbraw/zinc/75/14/05/742751405.db2.gz JGPUGLFFKBGXHI-YESZJQIVSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001028926888 742877557 /nfs/dbraw/zinc/87/75/57/742877557.db2.gz RSKKSUTWFKYYHS-SECBINFHSA-N 1 1 342.783 0.701 20 30 ECEDMO CC#CCN1CC[NH+](C2CCC(NC(=O)Cc3nnc[nH]3)CC2)CC1 ZINC000996795699 742877862 /nfs/dbraw/zinc/87/78/62/742877862.db2.gz PDHXRROLXVSAPS-UHFFFAOYSA-N 1 1 344.463 0.416 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC001028939119 742931442 /nfs/dbraw/zinc/93/14/42/742931442.db2.gz GLCQJDACPDFGAL-ZFWWWQNUSA-N 1 1 328.416 0.591 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001028939302 742931947 /nfs/dbraw/zinc/93/19/47/742931947.db2.gz KJTPODAAVUOGNW-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1 ZINC000982255808 751776705 /nfs/dbraw/zinc/77/67/05/751776705.db2.gz KAYHNRMENGINTM-LQAWEQHXSA-N 1 1 329.404 0.544 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001028941121 742939416 /nfs/dbraw/zinc/93/94/16/742939416.db2.gz SDKXIGMKUOWZHT-CJNGLKHVSA-N 1 1 326.400 0.393 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)c3[nH]nnc3C)CC2)C1=O ZINC000996869284 742970728 /nfs/dbraw/zinc/97/07/28/742970728.db2.gz DNPVYXIXHPIVHC-CYBMUJFWSA-N 1 1 332.408 0.094 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCc3nccn3C)C2)nn1 ZINC001098693235 743035566 /nfs/dbraw/zinc/03/55/66/743035566.db2.gz RKCKCVYUZHOWKV-OAHLLOKOSA-N 1 1 343.435 0.693 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1csc([C@H](C)OC)n1 ZINC001125997959 743154914 /nfs/dbraw/zinc/15/49/14/743154914.db2.gz ITZNJWWRYHIFSI-NSHDSACASA-N 1 1 338.433 0.196 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001029004097 743161671 /nfs/dbraw/zinc/16/16/71/743161671.db2.gz VGKAEVSUURGEOI-AWEZNQCLSA-N 1 1 348.451 0.384 20 30 ECEDMO C[NH+]=C(NCc1nnc2n1CCCC2)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261968304 743197147 /nfs/dbraw/zinc/19/71/47/743197147.db2.gz MAJYWUNBLWLMOO-TZMCWYRMSA-N 1 1 331.468 0.762 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)cn1 ZINC000997102332 743237809 /nfs/dbraw/zinc/23/78/09/743237809.db2.gz POANXRGFRQTRJM-IBGZPJMESA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000997102827 743239308 /nfs/dbraw/zinc/23/93/08/743239308.db2.gz GGOVQONHRDGXKF-MLGOLLRUSA-N 1 1 326.400 0.344 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000997250095 743407356 /nfs/dbraw/zinc/40/73/56/743407356.db2.gz NOSVZBYNPBLYEU-UHFFFAOYSA-N 1 1 336.395 0.743 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)C1 ZINC001020584840 751837253 /nfs/dbraw/zinc/83/72/53/751837253.db2.gz URXBGLLTKZCEIX-WWGRRREGSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000997436192 743616008 /nfs/dbraw/zinc/61/60/08/743616008.db2.gz RCRCRHRWCWAVRK-YPMHNXCESA-N 1 1 349.884 0.647 20 30 ECEDMO C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000997613311 743709465 /nfs/dbraw/zinc/70/94/65/743709465.db2.gz IGWXYSRVOYQBDP-ZFWWWQNUSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCO1 ZINC000997774281 743803110 /nfs/dbraw/zinc/80/31/10/743803110.db2.gz KYWXQHBHZVDEFY-JSRQGNBESA-N 1 1 345.443 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCO1 ZINC000997774281 743803117 /nfs/dbraw/zinc/80/31/17/743803117.db2.gz KYWXQHBHZVDEFY-JSRQGNBESA-N 1 1 345.443 0.511 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000998194764 744042886 /nfs/dbraw/zinc/04/28/86/744042886.db2.gz FKVOFSYYCIZPTH-CABCVRRESA-N 1 1 341.477 0.404 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982291093 751884659 /nfs/dbraw/zinc/88/46/59/751884659.db2.gz DQDNFLSZGYSISO-DOPJRALCSA-N 1 1 333.432 0.880 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000976541139 744082252 /nfs/dbraw/zinc/08/22/52/744082252.db2.gz GRZIFRPXBHXLOZ-FOLVSLTJSA-N 1 1 338.371 0.278 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000976645440 744175625 /nfs/dbraw/zinc/17/56/25/744175625.db2.gz HBETXQLFQFHFMS-AALSBFMBSA-N 1 1 347.459 0.635 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 ZINC000976676278 744187485 /nfs/dbraw/zinc/18/74/85/744187485.db2.gz SWAWPIFZRPMWDW-NPCUJANDSA-N 1 1 332.448 0.982 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000976660985 744192207 /nfs/dbraw/zinc/19/22/07/744192207.db2.gz WMYRBZDKOCFJTO-HPFXQQBRSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@@]2(C)C1 ZINC000982296358 751900312 /nfs/dbraw/zinc/90/03/12/751900312.db2.gz QSSULJVGFQENPM-QRQLOZEOSA-N 1 1 343.475 0.617 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000998849249 744370825 /nfs/dbraw/zinc/37/08/25/744370825.db2.gz LUQOWXHNMGKHEX-CYBMUJFWSA-N 1 1 342.407 0.677 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000976853656 744401239 /nfs/dbraw/zinc/40/12/39/744401239.db2.gz VLRZORIGYTUSON-KDEOKCCVSA-N 1 1 344.415 0.356 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC000998962338 744432723 /nfs/dbraw/zinc/43/27/23/744432723.db2.gz SFHDUGOOWUKLGF-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998971362 744441109 /nfs/dbraw/zinc/44/11/09/744441109.db2.gz WSRISYHHGUNQKJ-CYBMUJFWSA-N 1 1 327.392 0.892 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]32)cn1 ZINC000976916360 744475582 /nfs/dbraw/zinc/47/55/82/744475582.db2.gz MWOJOEPXCQWQQV-QMCVQRASSA-N 1 1 338.411 0.201 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]32)C1 ZINC000977020366 744573504 /nfs/dbraw/zinc/57/35/04/744573504.db2.gz IHOLTPCWICSRQZ-RFBLXINOSA-N 1 1 332.448 0.841 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]32)C1 ZINC000977020367 744573615 /nfs/dbraw/zinc/57/36/15/744573615.db2.gz IHOLTPCWICSRQZ-SUJAAXHWSA-N 1 1 332.448 0.841 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nncs2)C1 ZINC000999391650 744671774 /nfs/dbraw/zinc/67/17/74/744671774.db2.gz MWXCFLAIOHCUDA-KBPBESRZSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nncs2)C1 ZINC000999391650 744671776 /nfs/dbraw/zinc/67/17/76/744671776.db2.gz MWXCFLAIOHCUDA-KBPBESRZSA-N 1 1 333.461 0.716 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001027484987 744747359 /nfs/dbraw/zinc/74/73/59/744747359.db2.gz NZVSIUZZQAUQTJ-AWEZNQCLSA-N 1 1 334.420 0.612 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC000999624305 744800794 /nfs/dbraw/zinc/80/07/94/744800794.db2.gz HMRMWNQWORXZTQ-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC000999624305 744800795 /nfs/dbraw/zinc/80/07/95/744800795.db2.gz HMRMWNQWORXZTQ-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C(C)(C)C1 ZINC000977321822 744866370 /nfs/dbraw/zinc/86/63/70/744866370.db2.gz SYIDCLPWBAJGDH-CYBMUJFWSA-N 1 1 327.388 0.404 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000977326315 744869737 /nfs/dbraw/zinc/86/97/37/744869737.db2.gz LDTLERKLQKQTGR-ZIAGYGMSSA-N 1 1 343.493 0.813 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cnn(C)n3)C(C)(C)C2)C1=O ZINC000977340671 744879468 /nfs/dbraw/zinc/87/94/68/744879468.db2.gz YHWTXZLCCNBTIL-ZIAGYGMSSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cnn(C)n3)C(C)(C)C2)C1=O ZINC000977340671 744879473 /nfs/dbraw/zinc/87/94/73/744879473.db2.gz YHWTXZLCCNBTIL-ZIAGYGMSSA-N 1 1 346.435 0.042 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cnn(C)c1 ZINC000977342927 744882133 /nfs/dbraw/zinc/88/21/33/744882133.db2.gz NBNNZGXLDRULLB-HOTGVXAUSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cnn(C)c1 ZINC000977342927 744882135 /nfs/dbraw/zinc/88/21/35/744882135.db2.gz NBNNZGXLDRULLB-HOTGVXAUSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C)no1 ZINC000977382403 744916755 /nfs/dbraw/zinc/91/67/55/744916755.db2.gz ZRXJKOZUUJQERE-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C)no1 ZINC000977382403 744916760 /nfs/dbraw/zinc/91/67/60/744916760.db2.gz ZRXJKOZUUJQERE-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000977415974 744947050 /nfs/dbraw/zinc/94/70/50/744947050.db2.gz BYWLISHIUUWIFG-GFCCVEGCSA-N 1 1 336.436 0.720 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc1 ZINC000999861727 744956426 /nfs/dbraw/zinc/95/64/26/744956426.db2.gz AYAYTLUCXLRUQU-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cnsn1 ZINC000977432890 744991455 /nfs/dbraw/zinc/99/14/55/744991455.db2.gz YKOXMDDQUGZDQK-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cnsn1 ZINC000977432890 744991458 /nfs/dbraw/zinc/99/14/58/744991458.db2.gz YKOXMDDQUGZDQK-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC000999901222 745036552 /nfs/dbraw/zinc/03/65/52/745036552.db2.gz FBAUJUYQRNUSOD-DYVFJYSZSA-N 1 1 325.412 0.806 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc[n+]([O-])cc3)nn2)C1 ZINC000999947623 745081996 /nfs/dbraw/zinc/08/19/96/745081996.db2.gz AXAJGKJGSCBODB-INIZCTEOSA-N 1 1 340.387 0.112 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc[n+]([O-])cc3)nn2)C1 ZINC000999948121 745083674 /nfs/dbraw/zinc/08/36/74/745083674.db2.gz CSHVLESXDMNMHX-INIZCTEOSA-N 1 1 342.403 0.664 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)cn3)nn2)C1 ZINC000999949295 745085249 /nfs/dbraw/zinc/08/52/49/745085249.db2.gz HYFNVQDWSKPAFO-CQSZACIVSA-N 1 1 325.376 0.187 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)cnn1 ZINC001083429641 751972246 /nfs/dbraw/zinc/97/22/46/751972246.db2.gz JRZZYAOCCQUBFY-SJORKVTESA-N 1 1 337.383 0.632 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)cnn1 ZINC001083429641 751972248 /nfs/dbraw/zinc/97/22/48/751972248.db2.gz JRZZYAOCCQUBFY-SJORKVTESA-N 1 1 337.383 0.632 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccn3C)nn2)C1 ZINC000999965417 745110306 /nfs/dbraw/zinc/11/03/06/745110306.db2.gz IZQSJZVYCOSUDK-HNNXBMFYSA-N 1 1 326.404 0.817 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCCNC3=O)CC2(C)C)cn1 ZINC000977520117 745112660 /nfs/dbraw/zinc/11/26/60/745112660.db2.gz BKNVGAJXQOWFJY-CVEARBPZSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC2(C)C)cn1 ZINC000977520117 745112661 /nfs/dbraw/zinc/11/26/61/745112661.db2.gz BKNVGAJXQOWFJY-CVEARBPZSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ocnc3C)nn2)C1 ZINC000999973649 745122886 /nfs/dbraw/zinc/12/28/86/745122886.db2.gz HFJATMWUMHGYPS-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCNC(=O)C3)nn2)C1 ZINC000999977231 745126418 /nfs/dbraw/zinc/12/64/18/745126418.db2.gz ARAQXOPCPIXKAP-UKRRQHHQSA-N 1 1 346.435 0.243 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)CC2(C)C)cn1 ZINC000977511029 745129478 /nfs/dbraw/zinc/12/94/78/745129478.db2.gz HSHGSJHSRSVNBS-HUUCEWRRSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)CC2(C)C)cn1 ZINC000977511029 745129481 /nfs/dbraw/zinc/12/94/81/745129481.db2.gz HSHGSJHSRSVNBS-HUUCEWRRSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)cn1 ZINC000977511399 745130423 /nfs/dbraw/zinc/13/04/23/745130423.db2.gz JDODRTUEXLIDEP-BBRMVZONSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)cn1 ZINC000977511399 745130428 /nfs/dbraw/zinc/13/04/28/745130428.db2.gz JDODRTUEXLIDEP-BBRMVZONSA-N 1 1 342.443 0.980 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CC(OCC)C3)nn2)C1 ZINC000999980012 745130408 /nfs/dbraw/zinc/13/04/08/745130408.db2.gz BDLXAEKCNKFNMF-ARWYELJZSA-N 1 1 345.447 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)cn1 ZINC000977511418 745130489 /nfs/dbraw/zinc/13/04/89/745130489.db2.gz JDODRTUEXLIDEP-CZUORRHYSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)cn1 ZINC000977511418 745130491 /nfs/dbraw/zinc/13/04/91/745130491.db2.gz JDODRTUEXLIDEP-CZUORRHYSA-N 1 1 342.443 0.980 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 ZINC000999992055 745149568 /nfs/dbraw/zinc/14/95/68/745149568.db2.gz OFFTYKNQWWYTEM-JKSUJKDBSA-N 1 1 345.451 0.537 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000977529876 745150734 /nfs/dbraw/zinc/15/07/34/745150734.db2.gz XJSWZELSTISWGX-GJZGRUSLSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000977529876 745150736 /nfs/dbraw/zinc/15/07/36/745150736.db2.gz XJSWZELSTISWGX-GJZGRUSLSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnnn3CC)nn2)C1 ZINC000999993528 745151736 /nfs/dbraw/zinc/15/17/36/745151736.db2.gz WBTUJGCIBRGZDN-CQSZACIVSA-N 1 1 344.423 0.642 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccns3)nn2)C1 ZINC000999993717 745152255 /nfs/dbraw/zinc/15/22/55/745152255.db2.gz UOYGNRWHHPSEKK-ZDUSSCGKSA-N 1 1 330.417 0.935 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088569609 751977313 /nfs/dbraw/zinc/97/73/13/751977313.db2.gz AZRFMHGSCKWSHB-DOMZBBRYSA-N 1 1 325.376 0.324 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccccc1C#N ZINC001088569609 751977318 /nfs/dbraw/zinc/97/73/18/751977318.db2.gz AZRFMHGSCKWSHB-DOMZBBRYSA-N 1 1 325.376 0.324 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C4CC4)on3)nn2)C1 ZINC001000003196 745167363 /nfs/dbraw/zinc/16/73/63/745167363.db2.gz WXGZLKLQAINDKN-CQSZACIVSA-N 1 1 340.387 0.954 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)nn2)C1 ZINC001000008640 745176222 /nfs/dbraw/zinc/17/62/22/745176222.db2.gz JQZBLLKDXIMURQ-WCVJEAGWSA-N 1 1 329.404 0.057 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001000017648 745188058 /nfs/dbraw/zinc/18/80/58/745188058.db2.gz SPMARNDLSGFABF-PMPSAXMXSA-N 1 1 331.416 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001000017648 745188060 /nfs/dbraw/zinc/18/80/60/745188060.db2.gz SPMARNDLSGFABF-PMPSAXMXSA-N 1 1 331.416 0.002 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncc(C#C)c3)nn2)C1 ZINC001000023382 745194701 /nfs/dbraw/zinc/19/47/01/745194701.db2.gz ZKZOERDOOXEOMG-QGZVFWFLSA-N 1 1 334.383 0.464 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(CC)n3)nn2)C1 ZINC001000027575 745199670 /nfs/dbraw/zinc/19/96/70/745199670.db2.gz AHBHPYQYSDNQCV-OAHLLOKOSA-N 1 1 341.419 0.695 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3coc(C4CC4)n3)nn2)C1 ZINC001000029266 745202741 /nfs/dbraw/zinc/20/27/41/745202741.db2.gz HTCXJVWYQKIATH-CQSZACIVSA-N 1 1 340.387 0.954 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)nc(C)n3)nn2)C1 ZINC001000029509 745203382 /nfs/dbraw/zinc/20/33/82/745203382.db2.gz OMHRTDAVAOWJCD-HNNXBMFYSA-N 1 1 339.403 0.495 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CCCO)C2)nn1 ZINC001000031410 745206373 /nfs/dbraw/zinc/20/63/73/745206373.db2.gz NUQOFQNKWIUNRX-XHSDSOJGSA-N 1 1 349.435 0.115 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccn(C)c3=O)nn2)C1 ZINC001000035762 745212132 /nfs/dbraw/zinc/21/21/32/745212132.db2.gz LZUBHZQNMZAAIV-AWEZNQCLSA-N 1 1 342.403 0.340 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C#C)nc3)nn2)C1 ZINC001000036544 745214033 /nfs/dbraw/zinc/21/40/33/745214033.db2.gz UWBFGGCTRCODIZ-QGZVFWFLSA-N 1 1 334.383 0.464 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)onc3CC)nn2)C1 ZINC001000041299 745220541 /nfs/dbraw/zinc/22/05/41/745220541.db2.gz ACAZGDGBZLBIPP-AWEZNQCLSA-N 1 1 342.403 0.947 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nonc3C)nn2)C1 ZINC001000042274 745222388 /nfs/dbraw/zinc/22/23/88/745222388.db2.gz LPENWLBTKLAOIP-ZDUSSCGKSA-N 1 1 331.380 0.722 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)c3)[C@H]2CC)C1=O ZINC001087498236 745261270 /nfs/dbraw/zinc/26/12/70/745261270.db2.gz GMQQJIDQEARIJM-ARFHVFGLSA-N 1 1 345.447 0.790 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC(C)C)C(N)=O)C2)nn1 ZINC001105385263 745265586 /nfs/dbraw/zinc/26/55/86/745265586.db2.gz WRIHZIWWZCIKEU-CQSZACIVSA-N 1 1 334.424 0.085 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C(C)(C)C1 ZINC000977635182 745296128 /nfs/dbraw/zinc/29/61/28/745296128.db2.gz ZFUXRXFJARQRML-CABCVRRESA-N 1 1 329.448 0.999 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncc(C)cn3)C2)nn1 ZINC001020700253 751989524 /nfs/dbraw/zinc/98/95/24/751989524.db2.gz KPTRESDRBFUYOM-JOCQHMNTSA-N 1 1 327.392 0.613 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059235414 745302645 /nfs/dbraw/zinc/30/26/45/745302645.db2.gz YCKDMHSQEPVXFF-YRGRVCCFSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059235414 745302648 /nfs/dbraw/zinc/30/26/48/745302648.db2.gz YCKDMHSQEPVXFF-YRGRVCCFSA-N 1 1 330.392 0.128 20 30 ECEDMO C#CCCCC(=O)NCC[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC001126343880 751991145 /nfs/dbraw/zinc/99/11/45/751991145.db2.gz KHPWXLXWOAEQID-UHFFFAOYSA-N 1 1 341.433 0.539 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001000198620 745335543 /nfs/dbraw/zinc/33/55/43/745335543.db2.gz POHRUWLTBFYZPZ-CYBMUJFWSA-N 1 1 344.415 0.539 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C)n[nH]1 ZINC001075784417 745379902 /nfs/dbraw/zinc/37/99/02/745379902.db2.gz RPPBGMZXECHBQF-WFASDCNBSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C)n[nH]1 ZINC001075784417 745379906 /nfs/dbraw/zinc/37/99/06/745379906.db2.gz RPPBGMZXECHBQF-WFASDCNBSA-N 1 1 331.420 0.440 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3CNC(=O)N3)CC2)CC1 ZINC001000251326 745386217 /nfs/dbraw/zinc/38/62/17/745386217.db2.gz ZTCJUYYDARTPTP-LBPRGKRZSA-N 1 1 326.828 0.781 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001075785223 745398657 /nfs/dbraw/zinc/39/86/57/745398657.db2.gz VXUVBLOUUQHZBO-SQWLQELKSA-N 1 1 341.415 0.319 20 30 ECEDMO C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCc4[nH]nnc4C3)CC2)CC1 ZINC001000316429 745423704 /nfs/dbraw/zinc/42/37/04/745423704.db2.gz GUHBPSOWXHMGOD-CYBMUJFWSA-N 1 1 327.432 0.904 20 30 ECEDMO C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCc4nn[nH]c4C3)CC2)CC1 ZINC001000316429 745423706 /nfs/dbraw/zinc/42/37/06/745423706.db2.gz GUHBPSOWXHMGOD-CYBMUJFWSA-N 1 1 327.432 0.904 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977728303 745445844 /nfs/dbraw/zinc/44/58/44/745445844.db2.gz AONLJWVYWZECPM-ZIAGYGMSSA-N 1 1 329.404 0.511 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCN2CCNC2=O)c1 ZINC001029260743 745465344 /nfs/dbraw/zinc/46/53/44/745465344.db2.gz VJHZQXNYZFDIRT-OKILXGFUSA-N 1 1 342.403 0.200 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN2CCNC2=O)c1 ZINC001029260743 745465351 /nfs/dbraw/zinc/46/53/51/745465351.db2.gz VJHZQXNYZFDIRT-OKILXGFUSA-N 1 1 342.403 0.200 20 30 ECEDMO CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)C1 ZINC001083413157 745483694 /nfs/dbraw/zinc/48/36/94/745483694.db2.gz BPWPILYVDCLQSS-YUELXQCFSA-N 1 1 332.404 0.476 20 30 ECEDMO Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414732 745547389 /nfs/dbraw/zinc/54/73/89/745547389.db2.gz RYTNVRSFXBQCAH-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414732 745547393 /nfs/dbraw/zinc/54/73/93/745547393.db2.gz RYTNVRSFXBQCAH-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075797248 745599692 /nfs/dbraw/zinc/59/96/92/745599692.db2.gz ZPAYSOSLELNELN-JKSUJKDBSA-N 1 1 337.387 0.278 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075797248 745599696 /nfs/dbraw/zinc/59/96/96/745599696.db2.gz ZPAYSOSLELNELN-JKSUJKDBSA-N 1 1 337.387 0.278 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)C4=COCCC4)[C@@H]3C2)C1=O ZINC000977897278 745625476 /nfs/dbraw/zinc/62/54/76/745625476.db2.gz KNLVEJAFHDLJLC-WCXIOVBPSA-N 1 1 345.443 0.762 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC([C@H]2[N@@H+](CC(N)=O)CC23CCC3)CC1 ZINC001105391359 745627466 /nfs/dbraw/zinc/62/74/66/745627466.db2.gz CGIKSIIYVOCNLF-QZTJIDSGSA-N 1 1 349.475 0.892 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3cncnc3)CC2)C1=O ZINC001000609356 745632604 /nfs/dbraw/zinc/63/26/04/745632604.db2.gz PNCPMIBXALEFKI-INIZCTEOSA-N 1 1 341.415 0.625 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001029303022 745637024 /nfs/dbraw/zinc/63/70/24/745637024.db2.gz ZNKFATGKAJVCPC-IXDOHACOSA-N 1 1 345.443 0.058 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001029303022 745637029 /nfs/dbraw/zinc/63/70/29/745637029.db2.gz ZNKFATGKAJVCPC-IXDOHACOSA-N 1 1 345.443 0.058 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1n[nH]cc1F ZINC000977917533 745644767 /nfs/dbraw/zinc/64/47/67/745644767.db2.gz HUENDKNCWOBXPS-OCCSQVGLSA-N 1 1 347.394 0.319 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1n[nH]cc1F ZINC000977917533 745644770 /nfs/dbraw/zinc/64/47/70/745644770.db2.gz HUENDKNCWOBXPS-OCCSQVGLSA-N 1 1 347.394 0.319 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CCOC1 ZINC000977921231 745650868 /nfs/dbraw/zinc/65/08/68/745650868.db2.gz QVYGUAHYNXWIOD-XHSDSOJGSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CCOC1 ZINC000977921231 745650871 /nfs/dbraw/zinc/65/08/71/745650871.db2.gz QVYGUAHYNXWIOD-XHSDSOJGSA-N 1 1 333.432 0.180 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)nc1 ZINC001028269705 752019882 /nfs/dbraw/zinc/01/98/82/752019882.db2.gz ULBXWJQXQZZTFW-INIZCTEOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)nc1 ZINC001028269705 752019884 /nfs/dbraw/zinc/01/98/84/752019884.db2.gz ULBXWJQXQZZTFW-INIZCTEOSA-N 1 1 340.427 0.880 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001000682538 745694741 /nfs/dbraw/zinc/69/47/41/745694741.db2.gz JKPVBSFBEVRQNL-AWEZNQCLSA-N 1 1 329.404 0.697 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)cn1 ZINC001028270823 752027484 /nfs/dbraw/zinc/02/74/84/752027484.db2.gz UAURPRINDMKMBC-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)cn1 ZINC001028270823 752027489 /nfs/dbraw/zinc/02/74/89/752027489.db2.gz UAURPRINDMKMBC-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ncnn1C ZINC001029342472 745759166 /nfs/dbraw/zinc/75/91/66/745759166.db2.gz QBLCNHVDKGNGQD-XHSDSOJGSA-N 1 1 342.447 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ncnn1C ZINC001029342472 745759171 /nfs/dbraw/zinc/75/91/71/745759171.db2.gz QBLCNHVDKGNGQD-XHSDSOJGSA-N 1 1 342.447 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2ccn(C)n2)CC1 ZINC001000790132 745766826 /nfs/dbraw/zinc/76/68/26/745766826.db2.gz FHGZYIHLPCUOCO-SFHVURJKSA-N 1 1 341.459 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2ccn(C)n2)CC1 ZINC001000790132 745766830 /nfs/dbraw/zinc/76/68/30/745766830.db2.gz FHGZYIHLPCUOCO-SFHVURJKSA-N 1 1 341.459 0.766 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnns4)C[C@H]32)[nH]1 ZINC000978022249 745787331 /nfs/dbraw/zinc/78/73/31/745787331.db2.gz PQEWUHFYAXAATK-XYYAHUGASA-N 1 1 328.401 0.846 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnns4)C[C@H]32)[nH]1 ZINC000978022249 745787335 /nfs/dbraw/zinc/78/73/35/745787335.db2.gz PQEWUHFYAXAATK-XYYAHUGASA-N 1 1 328.401 0.846 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001020728954 752035455 /nfs/dbraw/zinc/03/54/55/752035455.db2.gz NXQFNAVJHDAWED-YXWQFLTLSA-N 1 1 348.451 0.972 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC000978028720 745829172 /nfs/dbraw/zinc/82/91/72/745829172.db2.gz NGYLLSXUWAYMPP-LVQVYYBASA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)no2)C1 ZINC001000904713 745884341 /nfs/dbraw/zinc/88/43/41/745884341.db2.gz VOYDQVPECKVFDJ-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)no2)C1 ZINC001000904713 745884345 /nfs/dbraw/zinc/88/43/45/745884345.db2.gz VOYDQVPECKVFDJ-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@]2(C)C1 ZINC001101333377 745947364 /nfs/dbraw/zinc/94/73/64/745947364.db2.gz SJTPLRAEHICORD-VKJFTORMSA-N 1 1 335.448 0.448 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3[nH]nnc3C)CC2)C1=O ZINC001001027362 745991663 /nfs/dbraw/zinc/99/16/63/745991663.db2.gz DMVDUWAGPVXZMV-AWEZNQCLSA-N 1 1 344.419 0.262 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN(C(=O)CC)C3)[C@@H]2C1 ZINC000978198458 746024910 /nfs/dbraw/zinc/02/49/10/746024910.db2.gz ZGLZPSCKUQDFHP-VQHPVUNQSA-N 1 1 331.460 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)COCC=C)C1 ZINC001059340817 746028518 /nfs/dbraw/zinc/02/85/18/746028518.db2.gz ZLGSHPFZLAMLCB-IRXDYDNUSA-N 1 1 347.459 0.641 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)COCC=C)C1 ZINC001059340817 746028525 /nfs/dbraw/zinc/02/85/25/746028525.db2.gz ZLGSHPFZLAMLCB-IRXDYDNUSA-N 1 1 347.459 0.641 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c1 ZINC001007029127 752054253 /nfs/dbraw/zinc/05/42/53/752054253.db2.gz LHERXVUJSDRRGF-DZGCQCFKSA-N 1 1 343.431 0.997 20 30 ECEDMO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978252306 746085927 /nfs/dbraw/zinc/08/59/27/746085927.db2.gz CRGDZQIDIWSNKZ-WCXIOVBPSA-N 1 1 332.448 0.447 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)[nH]c4ncn(C)c43)[C@@H]2C1 ZINC000978260511 746105503 /nfs/dbraw/zinc/10/55/03/746105503.db2.gz AJUAUTBXBWNCGH-ZSOGYDGISA-N 1 1 339.399 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nonc2C)[C@@H]1CC ZINC001087607282 746115359 /nfs/dbraw/zinc/11/53/59/746115359.db2.gz VWYKPJQUGXMMCM-UAGQMJEPSA-N 1 1 345.447 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nonc2C)[C@@H]1CC ZINC001087607282 746115360 /nfs/dbraw/zinc/11/53/60/746115360.db2.gz VWYKPJQUGXMMCM-UAGQMJEPSA-N 1 1 345.447 0.945 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3[nH]c(C)c(C(N)=O)c3CC)[C@@H]2C1 ZINC000978254979 746125022 /nfs/dbraw/zinc/12/50/22/746125022.db2.gz LBHKWEJGGKQDBX-ZSOGYDGISA-N 1 1 328.416 0.525 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCCN(C)C2=O)CC1 ZINC001001163417 746127359 /nfs/dbraw/zinc/12/73/59/746127359.db2.gz OTEYHSRSVVXHNW-IKGGRYGDSA-N 1 1 347.459 0.947 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC000978287799 746129149 /nfs/dbraw/zinc/12/91/49/746129149.db2.gz YXTIPACRZBIXIK-FJIDUMEYSA-N 1 1 341.459 0.275 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC000978278923 746140913 /nfs/dbraw/zinc/14/09/13/746140913.db2.gz FLORYDWNYSCXDO-FJIDUMEYSA-N 1 1 341.459 0.312 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000978280440 746142349 /nfs/dbraw/zinc/14/23/49/746142349.db2.gz YIBBZKCJIVIUBJ-HGTKMLMNSA-N 1 1 328.416 0.470 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001059351103 746169875 /nfs/dbraw/zinc/16/98/75/746169875.db2.gz QVYRPGAYJZJDKT-JOCQHMNTSA-N 1 1 325.376 0.921 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)[C@H]1CC ZINC001087703337 746210586 /nfs/dbraw/zinc/21/05/86/746210586.db2.gz QZVVRBUALAJLIM-IJEWVQPXSA-N 1 1 329.448 0.912 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCN(C)C2=O)CC1 ZINC001001257770 746216461 /nfs/dbraw/zinc/21/64/61/746216461.db2.gz ZEBWCGYNWHBELC-ULQDDVLXSA-N 1 1 347.459 0.947 20 30 ECEDMO CS(=O)(=O)CC[NH+]1CCC(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001001286796 746247328 /nfs/dbraw/zinc/24/73/28/746247328.db2.gz UDIGMJXODLBBKS-UHFFFAOYSA-N 1 1 338.433 0.373 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000984298998 746250130 /nfs/dbraw/zinc/25/01/30/746250130.db2.gz DFCFGHRXGRKRHG-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000984298998 746250133 /nfs/dbraw/zinc/25/01/33/746250133.db2.gz DFCFGHRXGRKRHG-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1 ZINC000978382820 746253565 /nfs/dbraw/zinc/25/35/65/746253565.db2.gz AQHWPXCBVSVCSZ-OSYLJGHBSA-N 1 1 345.443 0.978 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)[C@@H]2CC)nn1 ZINC001087754056 746286648 /nfs/dbraw/zinc/28/66/48/746286648.db2.gz MMXYVOZGOSBFBS-GOEBONIOSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)[C@@H]2CC)nn1 ZINC001087754056 746286651 /nfs/dbraw/zinc/28/66/51/746286651.db2.gz MMXYVOZGOSBFBS-GOEBONIOSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1 ZINC000978400617 746289785 /nfs/dbraw/zinc/28/97/85/746289785.db2.gz BYUWATHIIVPTBX-PHZGNYQRSA-N 1 1 331.416 0.588 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001347127 746295201 /nfs/dbraw/zinc/29/52/01/746295201.db2.gz JLBYEOYXKZUURR-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ncc[nH]3)[C@H]2CC)C1=O ZINC001087774814 746313993 /nfs/dbraw/zinc/31/39/93/746313993.db2.gz LUGWCJZNKBXNEY-RRFJBIMHSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@H](N2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001001454550 746393374 /nfs/dbraw/zinc/39/33/74/746393374.db2.gz XTWPMCSGXCQMFX-SJORKVTESA-N 1 1 346.475 0.473 20 30 ECEDMO C=CCN1CC[C@H](N2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001001454550 746393381 /nfs/dbraw/zinc/39/33/81/746393381.db2.gz XTWPMCSGXCQMFX-SJORKVTESA-N 1 1 346.475 0.473 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1CC ZINC001087818864 746403015 /nfs/dbraw/zinc/40/30/15/746403015.db2.gz RSSASPUKFLAICM-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001484745 746423445 /nfs/dbraw/zinc/42/34/45/746423445.db2.gz NKLSVGOOOPUGCQ-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC001001485396 746424624 /nfs/dbraw/zinc/42/46/24/746424624.db2.gz VOUCJKNSUHSLQW-BXUZGUMPSA-N 1 1 329.404 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001502639 746438893 /nfs/dbraw/zinc/43/88/93/746438893.db2.gz QZEKWABFYDKIQN-INIZCTEOSA-N 1 1 339.399 0.172 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001502639 746438897 /nfs/dbraw/zinc/43/88/97/746438897.db2.gz QZEKWABFYDKIQN-INIZCTEOSA-N 1 1 339.399 0.172 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC000984437432 746444756 /nfs/dbraw/zinc/44/47/56/746444756.db2.gz WFOBVCMKJSFYGN-GJZGRUSLSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC000984437432 746444757 /nfs/dbraw/zinc/44/47/57/746444757.db2.gz WFOBVCMKJSFYGN-GJZGRUSLSA-N 1 1 344.415 0.835 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)cc1 ZINC000978574181 746452531 /nfs/dbraw/zinc/45/25/31/746452531.db2.gz OQFJQQZPSUHVPK-OSYLJGHBSA-N 1 1 325.412 0.664 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1CC ZINC001087841031 746469799 /nfs/dbraw/zinc/46/97/99/746469799.db2.gz ZUOLDDNUFUCAKV-GXTWGEPZSA-N 1 1 334.424 0.135 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 ZINC001059382122 746511005 /nfs/dbraw/zinc/51/10/05/746511005.db2.gz KQBQQPJFDAQDPN-YDHLFZDLSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 ZINC001059382122 746511007 /nfs/dbraw/zinc/51/10/07/746511007.db2.gz KQBQQPJFDAQDPN-YDHLFZDLSA-N 1 1 344.419 0.517 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CCOCC3)C2)cc1 ZINC001007118005 752103892 /nfs/dbraw/zinc/10/38/92/752103892.db2.gz VXDSDBFBBBKSIV-GOSISDBHSA-N 1 1 342.443 0.971 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000978687621 746599028 /nfs/dbraw/zinc/59/90/28/746599028.db2.gz YXRKEMKQKWKOSY-QLFBSQMISA-N 1 1 335.448 0.684 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000978687621 746599030 /nfs/dbraw/zinc/59/90/30/746599030.db2.gz YXRKEMKQKWKOSY-QLFBSQMISA-N 1 1 335.448 0.684 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC000978705580 746606148 /nfs/dbraw/zinc/60/61/48/746606148.db2.gz XQSARWPUHPYBEX-JONQDZQNSA-N 1 1 345.443 0.832 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1 ZINC001001693420 746606386 /nfs/dbraw/zinc/60/63/86/746606386.db2.gz AURLJMVCHJUETF-DMRZNYOFSA-N 1 1 341.415 0.842 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059396642 746622185 /nfs/dbraw/zinc/62/21/85/746622185.db2.gz CREAZEXZTKKFBY-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059396642 746622188 /nfs/dbraw/zinc/62/21/88/746622188.db2.gz CREAZEXZTKKFBY-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978734698 746648879 /nfs/dbraw/zinc/64/88/79/746648879.db2.gz XSSRGFLJLDMMFU-DDHJSBNISA-N 1 1 343.431 0.709 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCC(=O)NC2=O)C1 ZINC001029465125 746688029 /nfs/dbraw/zinc/68/80/29/746688029.db2.gz NVKYAFGBSAEITO-MJBXVCDLSA-N 1 1 331.416 0.823 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940175 746693983 /nfs/dbraw/zinc/69/39/83/746693983.db2.gz YWIOJEJDDDKIQT-ZLDLUXBVSA-N 1 1 329.404 0.544 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940571 746694956 /nfs/dbraw/zinc/69/49/56/746694956.db2.gz OCQXBKHGKYXSNR-OCCSQVGLSA-N 1 1 329.404 0.368 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@H]32)nn1 ZINC000978821186 746749221 /nfs/dbraw/zinc/74/92/21/746749221.db2.gz VONJFQUQYZRTKY-XYYAHUGASA-N 1 1 343.391 0.263 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@H]32)nn1 ZINC000978821186 746749227 /nfs/dbraw/zinc/74/92/27/746749227.db2.gz VONJFQUQYZRTKY-XYYAHUGASA-N 1 1 343.391 0.263 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC001027679994 746783548 /nfs/dbraw/zinc/78/35/48/746783548.db2.gz XUNYVCTUMBQYLE-GOEBONIOSA-N 1 1 345.447 0.743 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4n[nH]c(=O)n4c3)[C@@H]2C1 ZINC000978854363 746784023 /nfs/dbraw/zinc/78/40/23/746784023.db2.gz LHGMXAJOFGVKSE-ZSOGYDGISA-N 1 1 325.372 0.366 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000978873018 746806872 /nfs/dbraw/zinc/80/68/72/746806872.db2.gz YLYAJLORSCTIFM-UNIGVISCSA-N 1 1 343.431 0.851 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)C3=NC(=O)N(C)C3)C2)C1=O ZINC000984740930 746895195 /nfs/dbraw/zinc/89/51/95/746895195.db2.gz HPUYFIZCRPHTER-AVGNSLFASA-N 1 1 347.419 0.011 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC000978953734 746948366 /nfs/dbraw/zinc/94/83/66/746948366.db2.gz QBXSNHACMULAGC-IMJJTQAJSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC000978953734 746948368 /nfs/dbraw/zinc/94/83/68/746948368.db2.gz QBXSNHACMULAGC-IMJJTQAJSA-N 1 1 341.415 0.199 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002125378 747006279 /nfs/dbraw/zinc/00/62/79/747006279.db2.gz JJQIWNQALOAPBB-IRXDYDNUSA-N 1 1 348.491 0.553 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002125378 747006285 /nfs/dbraw/zinc/00/62/85/747006285.db2.gz JJQIWNQALOAPBB-IRXDYDNUSA-N 1 1 348.491 0.553 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cncn2C)C1 ZINC000978995174 747010347 /nfs/dbraw/zinc/01/03/47/747010347.db2.gz NWYLXTOLXJUUAK-ZNMIVQPWSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cncn2C)C1 ZINC000978995174 747010348 /nfs/dbraw/zinc/01/03/48/747010348.db2.gz NWYLXTOLXJUUAK-ZNMIVQPWSA-N 1 1 343.431 0.142 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007161625 752143482 /nfs/dbraw/zinc/14/34/82/752143482.db2.gz IAFCDHSQJOULBM-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007161625 752143486 /nfs/dbraw/zinc/14/34/86/752143486.db2.gz IAFCDHSQJOULBM-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC000979021110 747049290 /nfs/dbraw/zinc/04/92/90/747049290.db2.gz SMDVYJLJPSPYDU-NXOAAHMSSA-N 1 1 338.411 0.631 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)nc1 ZINC000979017335 747064485 /nfs/dbraw/zinc/06/44/85/747064485.db2.gz MDDUBIOMJDTVNI-OSYLJGHBSA-N 1 1 335.411 0.867 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc(Cl)c(=O)[nH]n2)C1 ZINC001059455997 747071595 /nfs/dbraw/zinc/07/15/95/747071595.db2.gz PCGKQVGPTCBXII-GVXVVHGQSA-N 1 1 349.822 0.992 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc(Cl)c(=O)[nH]n2)C1 ZINC001059455997 747071601 /nfs/dbraw/zinc/07/16/01/747071601.db2.gz PCGKQVGPTCBXII-GVXVVHGQSA-N 1 1 349.822 0.992 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C[C@@H]2C1 ZINC001088018478 747072898 /nfs/dbraw/zinc/07/28/98/747072898.db2.gz ZPSYWNWCBDPRPF-MCIONIFRSA-N 1 1 331.420 0.512 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C[C@@H]2C1 ZINC001088018654 747073636 /nfs/dbraw/zinc/07/36/36/747073636.db2.gz FZIYZYCJQSFYJV-ILXRZTDVSA-N 1 1 345.447 0.903 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(=O)C(C)C)[C@@H]2C1 ZINC000979057003 747099611 /nfs/dbraw/zinc/09/96/11/747099611.db2.gz HTVBHUMSZJOBPN-WCXIOVBPSA-N 1 1 331.460 0.951 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000979080775 747133696 /nfs/dbraw/zinc/13/36/96/747133696.db2.gz OJBQSUQTBGCIGZ-HLLBOEOZSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)nn1 ZINC001029506257 747196998 /nfs/dbraw/zinc/19/69/98/747196998.db2.gz HOOGUDLHYLHBLB-VNHYZAJKSA-N 1 1 344.419 0.032 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4[nH]cnc4C)[C@@H]3C2)C1=O ZINC000979127053 747225597 /nfs/dbraw/zinc/22/55/97/747225597.db2.gz OKAJMGAMDNUETO-XQLPTFJDSA-N 1 1 343.431 0.413 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)c3cnns3)CC2)C1=O ZINC001002401685 747299650 /nfs/dbraw/zinc/29/96/50/747299650.db2.gz WZLQLVBAYJHHHD-LBPRGKRZSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnns3)CC2)C1=O ZINC001002401684 747299785 /nfs/dbraw/zinc/29/97/85/747299785.db2.gz WZLQLVBAYJHHHD-GFCCVEGCSA-N 1 1 335.433 0.519 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn[nH]n2)[C@@H]1CC ZINC000985048417 747301826 /nfs/dbraw/zinc/30/18/26/747301826.db2.gz HNMRHYHXNPDMOJ-CFVMTHIKSA-N 1 1 344.419 0.012 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn[nH]n2)[C@@H]1CC ZINC000985048417 747301829 /nfs/dbraw/zinc/30/18/29/747301829.db2.gz HNMRHYHXNPDMOJ-CFVMTHIKSA-N 1 1 344.419 0.012 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001002409423 747312317 /nfs/dbraw/zinc/31/23/17/747312317.db2.gz OMGCOCIXFFDWJJ-CVEARBPZSA-N 1 1 347.459 0.781 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)C#CC1CC1)C2 ZINC001007187307 752171638 /nfs/dbraw/zinc/17/16/38/752171638.db2.gz UHGATTXCHNMSFA-BXWFABGCSA-N 1 1 329.444 0.991 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ncccc2C#N)C1 ZINC001105409240 747415611 /nfs/dbraw/zinc/41/56/11/747415611.db2.gz ABZVFKHEAYGSAL-HNNXBMFYSA-N 1 1 331.420 0.569 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ncccc2C#N)C1 ZINC001105409240 747415616 /nfs/dbraw/zinc/41/56/16/747415616.db2.gz ABZVFKHEAYGSAL-HNNXBMFYSA-N 1 1 331.420 0.569 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@@H]2C1 ZINC001088114293 747418527 /nfs/dbraw/zinc/41/85/27/747418527.db2.gz FYKDEEXNEUCQOQ-KFWWJZLASA-N 1 1 328.420 0.039 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC001002488270 747423641 /nfs/dbraw/zinc/42/36/41/747423641.db2.gz LUZLTLZPHBMRGS-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC001002488270 747423645 /nfs/dbraw/zinc/42/36/45/747423645.db2.gz LUZLTLZPHBMRGS-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1 ZINC001002495626 747432823 /nfs/dbraw/zinc/43/28/23/747432823.db2.gz GGOIQZJBXHAJPN-QGZVFWFLSA-N 1 1 331.460 0.952 20 30 ECEDMO CN1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001002521227 747464676 /nfs/dbraw/zinc/46/46/76/747464676.db2.gz AKZQYCSBRHHEIH-SFHVURJKSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088163888 747560995 /nfs/dbraw/zinc/56/09/95/747560995.db2.gz LCPBKHKWGBVXTR-ILXRZTDVSA-N 1 1 331.420 0.819 20 30 ECEDMO CCn1cc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 ZINC000979296368 747561274 /nfs/dbraw/zinc/56/12/74/747561274.db2.gz CSUAVYHNBBBOSF-BBRMVZONSA-N 1 1 331.420 0.417 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)nn1 ZINC001105342516 747580381 /nfs/dbraw/zinc/58/03/81/747580381.db2.gz IOLXBQOMNOFLEC-HOCLYGCPSA-N 1 1 343.435 0.291 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1CCOC1 ZINC001002640897 747605077 /nfs/dbraw/zinc/60/50/77/747605077.db2.gz PLHABVRTEFEOBV-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1CCOC1 ZINC001002640897 747605082 /nfs/dbraw/zinc/60/50/82/747605082.db2.gz PLHABVRTEFEOBV-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO CCn1c(C)nnc1C[NH2+][C@H](C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979332043 747655720 /nfs/dbraw/zinc/65/57/20/747655720.db2.gz KVIAFOCZYLZFAX-CZUORRHYSA-N 1 1 345.447 0.725 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2onc(C)c2C)C1 ZINC001002705252 747675499 /nfs/dbraw/zinc/67/54/99/747675499.db2.gz OTBCPYRIAUJDGP-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2onc(C)c2C)C1 ZINC001002705252 747675501 /nfs/dbraw/zinc/67/55/01/747675501.db2.gz OTBCPYRIAUJDGP-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO COCCc1noc(C[N@H+](C)C2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC000985338879 747739608 /nfs/dbraw/zinc/73/96/08/747739608.db2.gz MLUNHRLDXMGPIC-LBPRGKRZSA-N 1 1 335.408 0.841 20 30 ECEDMO COCCc1noc(C[N@@H+](C)C2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC000985338879 747739612 /nfs/dbraw/zinc/73/96/12/747739612.db2.gz MLUNHRLDXMGPIC-LBPRGKRZSA-N 1 1 335.408 0.841 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]Cc3cnon3)C2)c1 ZINC000979410644 747761883 /nfs/dbraw/zinc/76/18/83/747761883.db2.gz OAUBXZGUIGUTGV-MLGOLLRUSA-N 1 1 341.371 0.465 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)c1nccnc1C#N ZINC001112181419 747777717 /nfs/dbraw/zinc/77/77/17/747777717.db2.gz MXGBOONYPYYEKL-ZIAGYGMSSA-N 1 1 330.436 0.831 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3nccnc3N)CC2)C1 ZINC001088230513 747783992 /nfs/dbraw/zinc/78/39/92/747783992.db2.gz RVPBOPCBAJALGP-OAHLLOKOSA-N 1 1 343.431 0.635 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC(CO[C@@H]3CC[N@H+](CCO)C3)CC2)c[nH]1 ZINC001088231391 747791076 /nfs/dbraw/zinc/79/10/76/747791076.db2.gz QACOUONSTGPKML-QGZVFWFLSA-N 1 1 346.431 0.822 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001088233607 747794911 /nfs/dbraw/zinc/79/49/11/747794911.db2.gz VJUULILYWGOJRW-HUUCEWRRSA-N 1 1 335.404 0.058 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001088237037 747834016 /nfs/dbraw/zinc/83/40/16/747834016.db2.gz KDLSWSUHNXPNOR-INIZCTEOSA-N 1 1 347.459 0.605 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001088237356 747837765 /nfs/dbraw/zinc/83/77/65/747837765.db2.gz QXFZULDXOFKKNR-OAHLLOKOSA-N 1 1 346.435 0.177 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000985381067 747839077 /nfs/dbraw/zinc/83/90/77/747839077.db2.gz PVPGSVBUTYFMJR-HNNXBMFYSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2oncc2C)C1 ZINC001002826613 747840098 /nfs/dbraw/zinc/84/00/98/747840098.db2.gz NWEZMQZTFNVGSZ-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2oncc2C)C1 ZINC001002826613 747840106 /nfs/dbraw/zinc/84/01/06/747840106.db2.gz NWEZMQZTFNVGSZ-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cccn2C)C1 ZINC001002828070 747842734 /nfs/dbraw/zinc/84/27/34/747842734.db2.gz AGXCBUYMCDZRAX-HNNXBMFYSA-N 1 1 328.416 0.311 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cccn2C)C1 ZINC001002828070 747842741 /nfs/dbraw/zinc/84/27/41/747842741.db2.gz AGXCBUYMCDZRAX-HNNXBMFYSA-N 1 1 328.416 0.311 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cn(C)nc2C)C1 ZINC001002830095 747846275 /nfs/dbraw/zinc/84/62/75/747846275.db2.gz QHRLMDNXLSTUBU-INIZCTEOSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cn(C)nc2C)C1 ZINC001002830095 747846286 /nfs/dbraw/zinc/84/62/86/747846286.db2.gz QHRLMDNXLSTUBU-INIZCTEOSA-N 1 1 343.431 0.014 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001088237951 747854763 /nfs/dbraw/zinc/85/47/63/747854763.db2.gz HMLXFBYTJYIOFV-BBWFWOEESA-N 1 1 347.459 0.461 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001002835730 747857177 /nfs/dbraw/zinc/85/71/77/747857177.db2.gz OYXQTAFUJHWXQG-AWEZNQCLSA-N 1 1 348.834 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001002835730 747857188 /nfs/dbraw/zinc/85/71/88/747857188.db2.gz OYXQTAFUJHWXQG-AWEZNQCLSA-N 1 1 348.834 0.954 20 30 ECEDMO Cn1cnnc1C[N@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985389112 747873699 /nfs/dbraw/zinc/87/36/99/747873699.db2.gz RGDDYYOYYXKAQL-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1cnnc1C[N@@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985389112 747873704 /nfs/dbraw/zinc/87/37/04/747873704.db2.gz RGDDYYOYYXKAQL-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002879488 747913036 /nfs/dbraw/zinc/91/30/36/747913036.db2.gz FNCYSOSIAAAMKM-DDUZABMNSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002879488 747913039 /nfs/dbraw/zinc/91/30/39/747913039.db2.gz FNCYSOSIAAAMKM-DDUZABMNSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cnccn3)C2)C1=O ZINC001029631157 747927723 /nfs/dbraw/zinc/92/77/23/747927723.db2.gz GILRTMGEBXVBQA-HOCLYGCPSA-N 1 1 343.431 0.657 20 30 ECEDMO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@H]1COC(=O)N1 ZINC001007255747 752225973 /nfs/dbraw/zinc/22/59/73/752225973.db2.gz BNLSGHICFQXOJV-HZPDHXFCSA-N 1 1 327.384 0.727 20 30 ECEDMO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1COC(=O)N1 ZINC001007255747 752225978 /nfs/dbraw/zinc/22/59/78/752225978.db2.gz BNLSGHICFQXOJV-HZPDHXFCSA-N 1 1 327.384 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC001002940387 747985351 /nfs/dbraw/zinc/98/53/51/747985351.db2.gz SHQIQIDUEFJJLV-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC001002940387 747985358 /nfs/dbraw/zinc/98/53/58/747985358.db2.gz SHQIQIDUEFJJLV-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cnns3)C2)C1=O ZINC001029659110 747993723 /nfs/dbraw/zinc/99/37/23/747993723.db2.gz OCLCGAKWWFJLPS-QWHCGFSZSA-N 1 1 349.460 0.719 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001029668522 748018904 /nfs/dbraw/zinc/01/89/04/748018904.db2.gz PXNOETXLIQRPIJ-INIZCTEOSA-N 1 1 349.456 0.883 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)c3ccnn3C)C2)C1=O ZINC001029672024 748024700 /nfs/dbraw/zinc/02/47/00/748024700.db2.gz XNOBJRGVEZLSRW-HUUCEWRRSA-N 1 1 345.447 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCCOC2)C1 ZINC000979559219 748027463 /nfs/dbraw/zinc/02/74/63/748027463.db2.gz CWKCJZWCGBDFBJ-VQHPVUNQSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCCOC2)C1 ZINC000979559219 748027470 /nfs/dbraw/zinc/02/74/70/748027470.db2.gz CWKCJZWCGBDFBJ-VQHPVUNQSA-N 1 1 347.459 0.522 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1F ZINC001007263708 752235990 /nfs/dbraw/zinc/23/59/90/752235990.db2.gz ULEWRWYXHHGBAP-DZGCQCFKSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1F ZINC001007263708 752235993 /nfs/dbraw/zinc/23/59/93/752235993.db2.gz ULEWRWYXHHGBAP-DZGCQCFKSA-N 1 1 346.362 0.886 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681844 748056943 /nfs/dbraw/zinc/05/69/43/748056943.db2.gz NLDDSTKZEVBSMW-ZDUSSCGKSA-N 1 1 332.379 0.853 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC000979623075 748115475 /nfs/dbraw/zinc/11/54/75/748115475.db2.gz VYXQRYLVTLSWAR-MJBXVCDLSA-N 1 1 329.404 0.463 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001003050394 748118759 /nfs/dbraw/zinc/11/87/59/748118759.db2.gz BWQJXDXXAWOXGV-INIZCTEOSA-N 1 1 342.443 0.917 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001003050394 748118763 /nfs/dbraw/zinc/11/87/63/748118763.db2.gz BWQJXDXXAWOXGV-INIZCTEOSA-N 1 1 342.443 0.917 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC000985463400 748119841 /nfs/dbraw/zinc/11/98/41/748119841.db2.gz UIOTWPOHFMILJZ-UHFFFAOYSA-N 1 1 329.400 0.720 20 30 ECEDMO Cn1nncc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029709567 748123762 /nfs/dbraw/zinc/12/37/62/748123762.db2.gz GBAMWUJACWZQTQ-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nc(CC)no2)CC1 ZINC001003056127 748124591 /nfs/dbraw/zinc/12/45/91/748124591.db2.gz LPKFFFZEOBJEMP-HNNXBMFYSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nc(CC)no2)CC1 ZINC001003056127 748124597 /nfs/dbraw/zinc/12/45/97/748124597.db2.gz LPKFFFZEOBJEMP-HNNXBMFYSA-N 1 1 345.447 0.810 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C[C@H]1CCc2ncnn21 ZINC001029733770 748176072 /nfs/dbraw/zinc/17/60/72/748176072.db2.gz OCPFUUYSJAEFPE-JKSUJKDBSA-N 1 1 327.432 0.959 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(CCOC)nn3)C[C@H]2C1 ZINC000979666032 748188010 /nfs/dbraw/zinc/18/80/10/748188010.db2.gz ABNAQOKOSRDHQD-SOUVJXGZSA-N 1 1 331.420 0.388 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nc(C)no2)C1 ZINC001029757879 748269642 /nfs/dbraw/zinc/26/96/42/748269642.db2.gz KGUGJNLZWGDJME-CVEARBPZSA-N 1 1 345.447 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nc(C)no2)C1 ZINC001029757879 748269645 /nfs/dbraw/zinc/26/96/45/748269645.db2.gz KGUGJNLZWGDJME-CVEARBPZSA-N 1 1 345.447 0.756 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3c(C)n[nH]c3C)C2)nn1 ZINC001105344324 748313505 /nfs/dbraw/zinc/31/35/05/748313505.db2.gz XYBQGDTYZLSNJC-UHFFFAOYSA-N 1 1 329.408 0.981 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccn4nnnc34)C[C@H]2C1 ZINC000979756320 748371297 /nfs/dbraw/zinc/37/12/97/748371297.db2.gz ZYECTUNXQDGYGE-SOUVJXGZSA-N 1 1 338.415 0.978 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCCS3(=O)=O)C[C@@H]2C1 ZINC000979777486 748376005 /nfs/dbraw/zinc/37/60/05/748376005.db2.gz SCSQUGMBNZABMP-RRFJBIMHSA-N 1 1 341.477 0.425 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027835448 748384001 /nfs/dbraw/zinc/38/40/01/748384001.db2.gz CROULDCOHHZFSG-CABCVRRESA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC001003379507 748487861 /nfs/dbraw/zinc/48/78/61/748487861.db2.gz PEEWDYVISHMCAC-LSDHHAIUSA-N 1 1 343.855 0.955 20 30 ECEDMO Cn1nnnc1C[NH2+][C@H]1CCCCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001088290082 748529643 /nfs/dbraw/zinc/52/96/43/748529643.db2.gz AONMTLVREAFSAG-ZDUSSCGKSA-N 1 1 342.407 0.584 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)OC)C2)nn1 ZINC001098630639 748586278 /nfs/dbraw/zinc/58/62/78/748586278.db2.gz VBYSLQUMSDZMGV-HIFRSBDPSA-N 1 1 337.424 0.379 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029821769 748600324 /nfs/dbraw/zinc/60/03/24/748600324.db2.gz SGROKUFEBXQELY-RISCZKNCSA-N 1 1 347.444 0.581 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)s1 ZINC001003533393 748653344 /nfs/dbraw/zinc/65/33/44/748653344.db2.gz VUSVNUKBSOTBTQ-CYBMUJFWSA-N 1 1 333.417 0.382 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CCNc2ccnc(C#N)n2)C1 ZINC001111613159 748736796 /nfs/dbraw/zinc/73/67/96/748736796.db2.gz SRHPOZISJYMYNH-CQSZACIVSA-N 1 1 330.436 0.762 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn4c(n3)COCC4)C[C@H]2C1 ZINC000979984391 748779437 /nfs/dbraw/zinc/77/94/37/748779437.db2.gz GQQSZSMWAXVUHH-SOUVJXGZSA-N 1 1 328.416 0.877 20 30 ECEDMO COCCN(CCNC(=O)Cn1cc[nH+]c1C)c1cncc(C#N)n1 ZINC001126349030 752302407 /nfs/dbraw/zinc/30/24/07/752302407.db2.gz DXYPLLXFAUTTHN-UHFFFAOYSA-N 1 1 343.391 0.122 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)cc1 ZINC001027861453 748802730 /nfs/dbraw/zinc/80/27/30/748802730.db2.gz XPOFMEUMJWUADX-GJZGRUSLSA-N 1 1 328.372 0.747 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnc(C)n2C)C1 ZINC001003797107 748907846 /nfs/dbraw/zinc/90/78/46/748907846.db2.gz RFWCUPIGUGRSJG-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnc(C)n2C)C1 ZINC001003797107 748907849 /nfs/dbraw/zinc/90/78/49/748907849.db2.gz RFWCUPIGUGRSJG-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nc(C)no3)C2)nn1 ZINC001029860301 748965862 /nfs/dbraw/zinc/96/58/62/748965862.db2.gz PASDYARKTBDUFE-ZDUSSCGKSA-N 1 1 345.407 0.750 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nc(C)no3)C2)nn1 ZINC001029860301 748965870 /nfs/dbraw/zinc/96/58/70/748965870.db2.gz PASDYARKTBDUFE-ZDUSSCGKSA-N 1 1 345.407 0.750 20 30 ECEDMO CCn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083426051 748978260 /nfs/dbraw/zinc/97/82/60/748978260.db2.gz QOTVVVSXRKEHQE-WBVHZDCISA-N 1 1 339.399 0.750 20 30 ECEDMO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083426051 748978266 /nfs/dbraw/zinc/97/82/66/748978266.db2.gz QOTVVVSXRKEHQE-WBVHZDCISA-N 1 1 339.399 0.750 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3cnnn3C)CC2)cn1 ZINC000985756049 749019331 /nfs/dbraw/zinc/01/93/31/749019331.db2.gz AXLPDSBJHWRIGH-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1)CC2 ZINC001003905164 749028130 /nfs/dbraw/zinc/02/81/30/749028130.db2.gz PZXVPGNBZVWNMW-FZMZJTMJSA-N 1 1 329.404 0.488 20 30 ECEDMO C#CCC[NH+]1CCC(NC(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001003919495 749044578 /nfs/dbraw/zinc/04/45/78/749044578.db2.gz HYKUNBHEAWFPAO-CQSZACIVSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)C[C@H]2C1 ZINC000980142140 749054995 /nfs/dbraw/zinc/05/49/95/749054995.db2.gz CKNNQNGVSCDGLB-IHRRRGAJSA-N 1 1 328.416 0.967 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCCNC3=O)C[C@@H]2C1 ZINC000980143828 749060483 /nfs/dbraw/zinc/06/04/83/749060483.db2.gz QFLIXUNAXVPIKH-ARFHVFGLSA-N 1 1 332.448 0.642 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001003936577 749062082 /nfs/dbraw/zinc/06/20/82/749062082.db2.gz KHHUHGSYYXEHRX-CQSZACIVSA-N 1 1 344.415 0.729 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4nnnn4c3)C[C@H]2C1 ZINC000980146781 749066613 /nfs/dbraw/zinc/06/66/13/749066613.db2.gz TZNJRDVZVVBERQ-BPUTZDHNSA-N 1 1 338.415 0.978 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)c1 ZINC000980149168 749070792 /nfs/dbraw/zinc/07/07/92/749070792.db2.gz OBYYGLPVXJFERY-BHYGNILZSA-N 1 1 340.427 0.639 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC000980166578 749100942 /nfs/dbraw/zinc/10/09/42/749100942.db2.gz XSZMNVUWIVWFRT-JYJNAYRXSA-N 1 1 334.464 0.211 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4nnnc4c3)C[C@H]2C1 ZINC000980168869 749104799 /nfs/dbraw/zinc/10/47/99/749104799.db2.gz HACZEEGVWIQOMO-HRCADAONSA-N 1 1 338.415 0.978 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4nnnc4c3)C[C@@H]2C1 ZINC000980168865 749104846 /nfs/dbraw/zinc/10/48/46/749104846.db2.gz HACZEEGVWIQOMO-ARFHVFGLSA-N 1 1 338.415 0.978 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001059647761 749108470 /nfs/dbraw/zinc/10/84/70/749108470.db2.gz GHISLWSLIUHSCU-MRXNPFEDSA-N 1 1 346.431 0.586 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 ZINC000980193307 749127143 /nfs/dbraw/zinc/12/71/43/749127143.db2.gz LPPVWDASRJBUCL-BFHYXJOUSA-N 1 1 334.420 0.331 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCO)C[C@H]3C2)nn1 ZINC000980183401 749131250 /nfs/dbraw/zinc/13/12/50/749131250.db2.gz LBJQQGGFBQAFFR-RBSFLKMASA-N 1 1 333.436 0.677 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980205637 749181152 /nfs/dbraw/zinc/18/11/52/749181152.db2.gz CBQRDQFANZHLLW-BZUAXINKSA-N 1 1 343.427 0.916 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 ZINC000980205561 749181731 /nfs/dbraw/zinc/18/17/31/749181731.db2.gz DXZUNHQXISTEID-RRFJBIMHSA-N 1 1 348.447 0.673 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(=O)NC)C[C@H]3C2)cn1 ZINC000980206274 749182646 /nfs/dbraw/zinc/18/26/46/749182646.db2.gz DKFZQFYZLPUZGY-BFYDXBDKSA-N 1 1 340.427 0.639 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]2C1 ZINC000980207773 749186359 /nfs/dbraw/zinc/18/63/59/749186359.db2.gz LDBYWYQUSFXCNB-TUAOUCFPSA-N 1 1 348.403 0.913 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC000980241779 749247159 /nfs/dbraw/zinc/24/71/59/749247159.db2.gz GFEGPFAHVGQSLP-YNEHKIRRSA-N 1 1 329.404 0.592 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC1 ZINC000980254146 749260627 /nfs/dbraw/zinc/26/06/27/749260627.db2.gz MRUSXDCFXRDYGD-IXDOHACOSA-N 1 1 346.475 0.034 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CCNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001059674567 749340619 /nfs/dbraw/zinc/34/06/19/749340619.db2.gz QLIKONBEDXVHBA-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COC[C@@H]3CCOC3)C2)nn1 ZINC001098739721 749426948 /nfs/dbraw/zinc/42/69/48/749426948.db2.gz IKEOONUFKCXNKD-ZBFHGGJFSA-N 1 1 349.435 0.380 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001004377289 749440987 /nfs/dbraw/zinc/44/09/87/749440987.db2.gz ZVVXGBNWAMLCSG-HNNXBMFYSA-N 1 1 326.462 0.757 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088461832 749476494 /nfs/dbraw/zinc/47/64/94/749476494.db2.gz WHVXKJLOVHCFFR-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088461832 749476501 /nfs/dbraw/zinc/47/65/01/749476501.db2.gz WHVXKJLOVHCFFR-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000980383895 749481595 /nfs/dbraw/zinc/48/15/95/749481595.db2.gz WSBJFHAGVRGZBO-SNVBAGLBSA-N 1 1 326.784 0.385 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000980383895 749481596 /nfs/dbraw/zinc/48/15/96/749481596.db2.gz WSBJFHAGVRGZBO-SNVBAGLBSA-N 1 1 326.784 0.385 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC001004441115 749500843 /nfs/dbraw/zinc/50/08/43/749500843.db2.gz AYGJVZXPKQBOPV-BBRMVZONSA-N 1 1 340.427 0.449 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC001004446358 749508364 /nfs/dbraw/zinc/50/83/64/749508364.db2.gz KMWAQQSCZLPEFI-ZBFHGGJFSA-N 1 1 345.443 0.860 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)nn1 ZINC000986102736 749544344 /nfs/dbraw/zinc/54/43/44/749544344.db2.gz QWZNAFMCSMKWES-BXUZGUMPSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001004508153 749580464 /nfs/dbraw/zinc/58/04/64/749580464.db2.gz SGODZUDLACGJCR-CVEARBPZSA-N 1 1 332.448 0.736 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001004577139 749650712 /nfs/dbraw/zinc/65/07/12/749650712.db2.gz PYBFGYHADUZZDY-OAHLLOKOSA-N 1 1 333.432 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1noc(CC)n1 ZINC001027942514 749665413 /nfs/dbraw/zinc/66/54/13/749665413.db2.gz DIONTDCOIVQRQA-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1noc(CC)n1 ZINC001027942514 749665416 /nfs/dbraw/zinc/66/54/16/749665416.db2.gz DIONTDCOIVQRQA-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC(N)=O)CC2)nc1 ZINC001004598819 749670064 /nfs/dbraw/zinc/67/00/64/749670064.db2.gz XMYIMNSASNXIJU-QGZVFWFLSA-N 1 1 340.427 0.865 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001004624422 749701620 /nfs/dbraw/zinc/70/16/20/749701620.db2.gz STIJVGIAISBOSC-HNNXBMFYSA-N 1 1 348.447 0.769 20 30 ECEDMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C(C)(C)C)CCN1C(=O)C#CC1CC1 ZINC000986277951 749745705 /nfs/dbraw/zinc/74/57/05/749745705.db2.gz JXNKMHJOGDWGCD-TZMCWYRMSA-N 1 1 330.436 0.921 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3nonc3C)C2)C1=O ZINC000980543653 749750526 /nfs/dbraw/zinc/75/05/26/749750526.db2.gz LUDFLFMGMBATMO-OLZOCXBDSA-N 1 1 333.392 0.311 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001027950348 749782433 /nfs/dbraw/zinc/78/24/33/749782433.db2.gz CDUFVFOLQXZRDI-UONOGXRCSA-N 1 1 345.403 0.163 20 30 ECEDMO C[C@@H]1C[C@H](C[NH2+]Cc2nc(N(C)C)no2)CN1C(=O)C#CC1CC1 ZINC000980575539 749802994 /nfs/dbraw/zinc/80/29/94/749802994.db2.gz PWHOFBRGTIVTNE-TZMCWYRMSA-N 1 1 331.420 0.876 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC000986367633 749857646 /nfs/dbraw/zinc/85/76/46/749857646.db2.gz XYTKSPQKZGSCHH-OLZOCXBDSA-N 1 1 329.408 0.590 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001058848491 750158936 /nfs/dbraw/zinc/15/89/36/750158936.db2.gz GIISDXCGACYLJC-GJZGRUSLSA-N 1 1 337.464 0.478 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1C ZINC001005048756 750180729 /nfs/dbraw/zinc/18/07/29/750180729.db2.gz QGWPLSVAUYHSLA-BBRMVZONSA-N 1 1 328.416 0.958 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3cnn(C)c3)CC2)C1=O ZINC000980821131 750223526 /nfs/dbraw/zinc/22/35/26/750223526.db2.gz YSUHVXRIDNAYCA-MRXNPFEDSA-N 1 1 345.447 0.284 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3cnn(C)c3)CC2)C1=O ZINC000980821131 750223533 /nfs/dbraw/zinc/22/35/33/750223533.db2.gz YSUHVXRIDNAYCA-MRXNPFEDSA-N 1 1 345.447 0.284 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001058851776 750225225 /nfs/dbraw/zinc/22/52/25/750225225.db2.gz VUURVCRMGRMCCG-UHFFFAOYSA-N 1 1 339.480 0.868 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CCNC(=O)C#CC(C)C)C2)C1 ZINC001059736916 750262471 /nfs/dbraw/zinc/26/24/71/750262471.db2.gz FRHVOHRDEWVJDN-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CCNC(=O)C#CC(C)C)C2)C1 ZINC001059736916 750262474 /nfs/dbraw/zinc/26/24/74/750262474.db2.gz FRHVOHRDEWVJDN-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC000980917675 750352450 /nfs/dbraw/zinc/35/24/50/750352450.db2.gz VNGOMCXAHGQCQJ-UHFFFAOYSA-N 1 1 341.419 0.943 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC000980917675 750352457 /nfs/dbraw/zinc/35/24/57/750352457.db2.gz VNGOMCXAHGQCQJ-UHFFFAOYSA-N 1 1 341.419 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC000980967122 750409103 /nfs/dbraw/zinc/40/91/03/750409103.db2.gz OYERFCCRIYVJAQ-IMJJTQAJSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC000980967122 750409106 /nfs/dbraw/zinc/40/91/06/750409106.db2.gz OYERFCCRIYVJAQ-IMJJTQAJSA-N 1 1 343.431 0.522 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nncs3)[C@H]2C)nn1 ZINC000987130638 750516042 /nfs/dbraw/zinc/51/60/42/750516042.db2.gz ADAHAUNVGHSLRY-GHMZBOCLSA-N 1 1 333.421 0.708 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cn(C)nn3)[C@H]2C)nn1 ZINC000987166668 750561066 /nfs/dbraw/zinc/56/10/66/750561066.db2.gz IBFXHTFQAFTTPO-TZMCWYRMSA-N 1 1 344.423 0.376 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3nnn(C)n3)C2)c1 ZINC000981332143 750591155 /nfs/dbraw/zinc/59/11/55/750591155.db2.gz ZZBJNBLTUWXJNF-LSDHHAIUSA-N 1 1 339.403 0.417 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981337089 750603580 /nfs/dbraw/zinc/60/35/80/750603580.db2.gz GFPZSAUVGFPOOS-CQSZACIVSA-N 1 1 344.415 0.627 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981337089 750603584 /nfs/dbraw/zinc/60/35/84/750603584.db2.gz GFPZSAUVGFPOOS-CQSZACIVSA-N 1 1 344.415 0.627 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000981370546 750620526 /nfs/dbraw/zinc/62/05/26/750620526.db2.gz TYBIMIGLMWYGAV-AEGPPILISA-N 1 1 343.431 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nnc(C)s2)CC1 ZINC000981361698 750625508 /nfs/dbraw/zinc/62/55/08/750625508.db2.gz YXGZFOIRUGFIKI-HNNXBMFYSA-N 1 1 347.488 0.978 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nnc(C)s2)CC1 ZINC000981361698 750625512 /nfs/dbraw/zinc/62/55/12/750625512.db2.gz YXGZFOIRUGFIKI-HNNXBMFYSA-N 1 1 347.488 0.978 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnns2)CC1 ZINC000981365656 750628056 /nfs/dbraw/zinc/62/80/56/750628056.db2.gz TXQFCLXNEGLHMY-HNNXBMFYSA-N 1 1 333.461 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnns2)CC1 ZINC000981365656 750628062 /nfs/dbraw/zinc/62/80/62/750628062.db2.gz TXQFCLXNEGLHMY-HNNXBMFYSA-N 1 1 333.461 0.670 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001005804119 750655401 /nfs/dbraw/zinc/65/54/01/750655401.db2.gz LNZZWCWOMVMVCR-ABAIWWIYSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001005848694 750723475 /nfs/dbraw/zinc/72/34/75/750723475.db2.gz PLOPWXFORSFSDJ-UKRRQHHQSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001005848694 750723480 /nfs/dbraw/zinc/72/34/80/750723480.db2.gz PLOPWXFORSFSDJ-UKRRQHHQSA-N 1 1 337.464 0.882 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001005869280 750747449 /nfs/dbraw/zinc/74/74/49/750747449.db2.gz NJYWSEKCSLMECY-LBPRGKRZSA-N 1 1 343.431 0.947 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001059794471 750755761 /nfs/dbraw/zinc/75/57/61/750755761.db2.gz KQBQQPJFDAQDPN-VNHYZAJKSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001059794471 750755764 /nfs/dbraw/zinc/75/57/64/750755764.db2.gz KQBQQPJFDAQDPN-VNHYZAJKSA-N 1 1 344.419 0.517 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)nn1 ZINC000987468419 750884987 /nfs/dbraw/zinc/88/49/87/750884987.db2.gz LHEZPZBWOUWVAP-VNHYZAJKSA-N 1 1 346.435 0.278 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC000981672649 750952801 /nfs/dbraw/zinc/95/28/01/750952801.db2.gz XMBJZIBQKZSHGK-HUUCEWRRSA-N 1 1 332.448 0.987 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCCC3(CN(C(=O)CC(N)=O)C3)C2)ccc1F ZINC000981679362 750963968 /nfs/dbraw/zinc/96/39/68/750963968.db2.gz PPHIZYXVAMAAPG-UHFFFAOYSA-N 1 1 344.390 0.997 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCCC3(CN(C(=O)CC(N)=O)C3)C2)ccc1F ZINC000981679362 750963973 /nfs/dbraw/zinc/96/39/73/750963973.db2.gz PPHIZYXVAMAAPG-UHFFFAOYSA-N 1 1 344.390 0.997 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CCC[N@@H+](CC(=O)N1CCCC1)C2 ZINC000981758424 751079688 /nfs/dbraw/zinc/07/96/88/751079688.db2.gz PHYAONMLBGOXTI-UHFFFAOYSA-N 1 1 329.444 0.947 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CCC[N@H+](CC(=O)N1CCCC1)C2 ZINC000981758424 751079695 /nfs/dbraw/zinc/07/96/95/751079695.db2.gz PHYAONMLBGOXTI-UHFFFAOYSA-N 1 1 329.444 0.947 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001059821074 751095867 /nfs/dbraw/zinc/09/58/67/751095867.db2.gz LEMQYBBQXICBKO-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3cnoc3)CC2)C1=O ZINC000981810217 751130013 /nfs/dbraw/zinc/13/00/13/751130013.db2.gz WRUVAUGIXSCMTJ-OAHLLOKOSA-N 1 1 332.404 0.538 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3cnoc3)CC2)C1=O ZINC000981810217 751130015 /nfs/dbraw/zinc/13/00/15/751130015.db2.gz WRUVAUGIXSCMTJ-OAHLLOKOSA-N 1 1 332.404 0.538 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC001098514236 751162645 /nfs/dbraw/zinc/16/26/45/751162645.db2.gz LWFDTHUTJUZPIS-DOTOQJQBSA-N 1 1 338.448 0.347 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc(F)c[nH]2)C1 ZINC001006317453 751239556 /nfs/dbraw/zinc/23/95/56/751239556.db2.gz ZRIMKLYRFUEUAJ-LRDDRELGSA-N 1 1 346.406 0.828 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc(F)c[nH]2)C1 ZINC001006317453 751239561 /nfs/dbraw/zinc/23/95/61/751239561.db2.gz ZRIMKLYRFUEUAJ-LRDDRELGSA-N 1 1 346.406 0.828 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C2)C1 ZINC000981918971 751267095 /nfs/dbraw/zinc/26/70/95/751267095.db2.gz MROMNXIIJPVMDJ-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001028313289 752355741 /nfs/dbraw/zinc/35/57/41/752355741.db2.gz GBUMDYVNWUSIHG-DZGCQCFKSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001028313289 752355750 /nfs/dbraw/zinc/35/57/50/752355750.db2.gz GBUMDYVNWUSIHG-DZGCQCFKSA-N 1 1 331.420 0.401 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001059909991 752397672 /nfs/dbraw/zinc/39/76/72/752397672.db2.gz FWKPHXJQFRGCOR-UKRRQHHQSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2[C@H]2CCCNC2=O)CC1 ZINC001028333817 752412518 /nfs/dbraw/zinc/41/25/18/752412518.db2.gz RHQRJYKTFDJKOD-SJORKVTESA-N 1 1 346.475 0.191 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2[C@H]2CCN(C)C2=O)CC1 ZINC001028334039 752413316 /nfs/dbraw/zinc/41/33/16/752413316.db2.gz VCLMCWLYPKNFBQ-SJORKVTESA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccoc3CC(N)=O)C[C@@]2(C)C1 ZINC000982487491 752420989 /nfs/dbraw/zinc/42/09/89/752420989.db2.gz YWAAWMWTTSUABN-HDICACEKSA-N 1 1 329.400 0.725 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001212036222 752425694 /nfs/dbraw/zinc/42/56/94/752425694.db2.gz NOTAMSIGBRVDCT-RRFJBIMHSA-N 1 1 341.452 0.261 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001212036222 752425701 /nfs/dbraw/zinc/42/57/01/752425701.db2.gz NOTAMSIGBRVDCT-RRFJBIMHSA-N 1 1 341.452 0.261 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001007479875 752431013 /nfs/dbraw/zinc/43/10/13/752431013.db2.gz BDOSHAVHUXLVAF-LBPRGKRZSA-N 1 1 327.388 0.891 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001059911346 752457395 /nfs/dbraw/zinc/45/73/95/752457395.db2.gz JFQJCLLVFFFSOH-ZBFHGGJFSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001059911346 752457399 /nfs/dbraw/zinc/45/73/99/752457399.db2.gz JFQJCLLVFFFSOH-ZBFHGGJFSA-N 1 1 343.431 0.616 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC000988642629 752459139 /nfs/dbraw/zinc/45/91/39/752459139.db2.gz ARTUAODIQNCJKF-AAEUAGOBSA-N 1 1 327.392 0.891 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001059912274 752469779 /nfs/dbraw/zinc/46/97/79/752469779.db2.gz YQHCZFKSYPCHNM-JKSUJKDBSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001059912274 752469782 /nfs/dbraw/zinc/46/97/82/752469782.db2.gz YQHCZFKSYPCHNM-JKSUJKDBSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2[nH]cnc2C)C1=O ZINC001028353583 752473819 /nfs/dbraw/zinc/47/38/19/752473819.db2.gz YLHPHWDMGJCVSZ-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2[nH]cnc2C)C1=O ZINC001028353583 752473825 /nfs/dbraw/zinc/47/38/25/752473825.db2.gz YLHPHWDMGJCVSZ-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937850603 752561468 /nfs/dbraw/zinc/56/14/68/752561468.db2.gz GDCSGYOBCHGDQY-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)CNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644634 752582687 /nfs/dbraw/zinc/58/26/87/752582687.db2.gz CPIYQHXKNXKFME-HZPDHXFCSA-N 1 1 332.452 0.811 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001007696116 752806716 /nfs/dbraw/zinc/80/67/16/752806716.db2.gz SIMLDVFRXXRNAR-ZDUSSCGKSA-N 1 1 327.388 0.955 20 30 ECEDMO CCn1cc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001028486440 752821213 /nfs/dbraw/zinc/82/12/13/752821213.db2.gz FXBXMGPANQRWAC-GFCCVEGCSA-N 1 1 327.392 0.750 20 30 ECEDMO CCn1cc(C[N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001028486440 752821219 /nfs/dbraw/zinc/82/12/19/752821219.db2.gz FXBXMGPANQRWAC-GFCCVEGCSA-N 1 1 327.392 0.750 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028488897 752824758 /nfs/dbraw/zinc/82/47/58/752824758.db2.gz JUENGFNYTMTQFI-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCS[C@H](C(C)C)C1 ZINC000261728559 752930229 /nfs/dbraw/zinc/93/02/29/752930229.db2.gz JGDBKJLOUGMBEA-CABCVRRESA-N 1 1 325.526 0.635 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccnn3CC)C2)C1=O ZINC001028502620 752934815 /nfs/dbraw/zinc/93/48/15/752934815.db2.gz CGKQIWBCNTZAKT-GDBMZVCRSA-N 1 1 345.447 0.742 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)CN1C(=O)C#CC1CC1 ZINC000988828744 752941741 /nfs/dbraw/zinc/94/17/41/752941741.db2.gz XXMWDCNTGDIGAQ-GXTWGEPZSA-N 1 1 329.404 0.301 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(=O)NC)C[C@]2(C)C1 ZINC000982575795 752951953 /nfs/dbraw/zinc/95/19/53/752951953.db2.gz ZNNMIGPMIKZJTP-NONVJHHQSA-N 1 1 335.448 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 ZINC000988873486 752974560 /nfs/dbraw/zinc/97/45/60/752974560.db2.gz VVHUJPFJMRXWSE-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 ZINC000988873486 752974566 /nfs/dbraw/zinc/97/45/66/752974566.db2.gz VVHUJPFJMRXWSE-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001126377498 753006969 /nfs/dbraw/zinc/00/69/69/753006969.db2.gz BKEFVEZBGNIODC-AWEZNQCLSA-N 1 1 330.406 0.216 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028519098 753016347 /nfs/dbraw/zinc/01/63/47/753016347.db2.gz JOVSXPSQHXRFBT-SWLSCSKDSA-N 1 1 328.372 0.605 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000982606475 753033635 /nfs/dbraw/zinc/03/36/35/753033635.db2.gz GOWFGXDIHHXVDC-TZMCWYRMSA-N 1 1 329.404 0.416 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC000982613935 753043150 /nfs/dbraw/zinc/04/31/50/753043150.db2.gz WNSRLTMULFEYRD-WBVHZDCISA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC000982613935 753043155 /nfs/dbraw/zinc/04/31/55/753043155.db2.gz WNSRLTMULFEYRD-WBVHZDCISA-N 1 1 342.443 0.999 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001028519983 753048176 /nfs/dbraw/zinc/04/81/76/753048176.db2.gz WZHNSPNKFIGUOY-CABCVRRESA-N 1 1 328.372 0.605 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001028532049 753077861 /nfs/dbraw/zinc/07/78/61/753077861.db2.gz NMXQVDUQFXQESG-LBPRGKRZSA-N 1 1 327.816 0.729 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001028532049 753077867 /nfs/dbraw/zinc/07/78/67/753077867.db2.gz NMXQVDUQFXQESG-LBPRGKRZSA-N 1 1 327.816 0.729 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000991617960 762188471 /nfs/dbraw/zinc/18/84/71/762188471.db2.gz CGEBFLUPKSSMLG-CABCVRRESA-N 1 1 346.431 0.925 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000989049728 753178081 /nfs/dbraw/zinc/17/80/81/753178081.db2.gz PXCZQABWHYOGNK-WWGRRREGSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000989049903 753178234 /nfs/dbraw/zinc/17/82/34/753178234.db2.gz SUJBDEIAMPREFR-NFAWXSAZSA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC001008018482 753202454 /nfs/dbraw/zinc/20/24/54/753202454.db2.gz XVIQULYWEXNOOD-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000989066216 753203865 /nfs/dbraw/zinc/20/38/65/753203865.db2.gz KYBLQVAXZNJPIA-LTIDMASMSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000989066216 753203870 /nfs/dbraw/zinc/20/38/70/753203870.db2.gz KYBLQVAXZNJPIA-LTIDMASMSA-N 1 1 347.459 0.759 20 30 ECEDMO CN1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001051492642 762197500 /nfs/dbraw/zinc/19/75/00/762197500.db2.gz AZJTYGNBJNEYFI-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001008064122 753261066 /nfs/dbraw/zinc/26/10/66/753261066.db2.gz SMIRSXWCFJDDHS-UONOGXRCSA-N 1 1 329.391 0.556 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001008064122 753261068 /nfs/dbraw/zinc/26/10/68/753261068.db2.gz SMIRSXWCFJDDHS-UONOGXRCSA-N 1 1 329.391 0.556 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001008168759 753407202 /nfs/dbraw/zinc/40/72/02/753407202.db2.gz JXSYRDGMLGSONH-OAHLLOKOSA-N 1 1 330.436 0.936 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001008168759 753407207 /nfs/dbraw/zinc/40/72/07/753407207.db2.gz JXSYRDGMLGSONH-OAHLLOKOSA-N 1 1 330.436 0.936 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncccn2)[C@@H]1C ZINC001088630837 753442553 /nfs/dbraw/zinc/44/25/53/753442553.db2.gz CUFOAHQNJXBNRV-PMPSAXMXSA-N 1 1 327.432 0.653 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncccn2)[C@@H]1C ZINC001088630837 753442555 /nfs/dbraw/zinc/44/25/55/753442555.db2.gz CUFOAHQNJXBNRV-PMPSAXMXSA-N 1 1 327.432 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001008191553 753449734 /nfs/dbraw/zinc/44/97/34/753449734.db2.gz UYQVGHJUFWUPTO-CHWSQXEVSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001008191553 753449737 /nfs/dbraw/zinc/44/97/37/753449737.db2.gz UYQVGHJUFWUPTO-CHWSQXEVSA-N 1 1 347.419 0.107 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000982739328 753449894 /nfs/dbraw/zinc/44/98/94/753449894.db2.gz KWDSZBZWNGZWQU-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000982739328 753449898 /nfs/dbraw/zinc/44/98/98/753449898.db2.gz KWDSZBZWNGZWQU-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@]3(C)C[N@H+]([C@@H](C)C(N)=O)C[C@]3(C)C2)nc1 ZINC000982740883 753452347 /nfs/dbraw/zinc/45/23/47/753452347.db2.gz MDTLBEUSPYJJND-FASAQXTFSA-N 1 1 340.427 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@H](C)OC)CC1(C)C ZINC001008279483 753542116 /nfs/dbraw/zinc/54/21/16/753542116.db2.gz XKULRPGLYXGOLA-KKUMJFAQSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@H](C)OC)CC1(C)C ZINC001008279483 753542120 /nfs/dbraw/zinc/54/21/20/753542120.db2.gz XKULRPGLYXGOLA-KKUMJFAQSA-N 1 1 335.448 0.472 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2nc(Cl)c(C#N)s2)C1 ZINC001105853353 762224254 /nfs/dbraw/zinc/22/42/54/762224254.db2.gz MHPBWWIXGIDSTB-RKDXNWHRSA-N 1 1 343.840 0.509 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001008362979 753657945 /nfs/dbraw/zinc/65/79/45/753657945.db2.gz CDFFXXVKKCYDCW-LSDHHAIUSA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001008362979 753657949 /nfs/dbraw/zinc/65/79/49/753657949.db2.gz CDFFXXVKKCYDCW-LSDHHAIUSA-N 1 1 327.388 0.320 20 30 ECEDMO C#CCNCc1cn([C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098682992 753692533 /nfs/dbraw/zinc/69/25/33/753692533.db2.gz MNIVXYHERIHQTI-IAGOWNOFSA-N 1 1 344.463 0.649 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CCOC3)[C@@H](O)C2)c1 ZINC001083380467 753738060 /nfs/dbraw/zinc/73/80/60/753738060.db2.gz XNFMEJHAEWIIRA-ZACQAIPSSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CCOC3)[C@@H](O)C2)c1 ZINC001083380467 753738063 /nfs/dbraw/zinc/73/80/63/753738063.db2.gz XNFMEJHAEWIIRA-ZACQAIPSSA-N 1 1 329.400 0.646 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001028592936 753738938 /nfs/dbraw/zinc/73/89/38/753738938.db2.gz DWRWTDGBJFOEKQ-HNNXBMFYSA-N 1 1 345.447 0.751 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685303 753764871 /nfs/dbraw/zinc/76/48/71/753764871.db2.gz FCXZCVNQNKGVAN-HOTGVXAUSA-N 1 1 330.436 0.259 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)c1 ZINC001083390417 753779252 /nfs/dbraw/zinc/77/92/52/753779252.db2.gz POKBCPCVNXGYKH-KGLIPLIRSA-N 1 1 331.401 0.360 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)c1 ZINC001083390417 753779254 /nfs/dbraw/zinc/77/92/54/753779254.db2.gz POKBCPCVNXGYKH-KGLIPLIRSA-N 1 1 331.401 0.360 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ccncc2C#N)C1 ZINC001105531952 753800342 /nfs/dbraw/zinc/80/03/42/753800342.db2.gz ONFALHSLXACNCP-QGZVFWFLSA-N 1 1 345.447 0.957 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)cn2)C1 ZINC001105532122 753801629 /nfs/dbraw/zinc/80/16/29/753801629.db2.gz RMTZDRSAUPJOBE-INIZCTEOSA-N 1 1 345.447 0.957 20 30 ECEDMO CN(CCN(C)c1cncc(C#N)n1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001105559467 753831259 /nfs/dbraw/zinc/83/12/59/753831259.db2.gz PIFIIMDIHPXJBV-UHFFFAOYSA-N 1 1 330.436 0.975 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583317 753865835 /nfs/dbraw/zinc/86/58/35/753865835.db2.gz SLQWGYOTRKGNPP-IAGOWNOFSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001028601050 753876645 /nfs/dbraw/zinc/87/66/45/753876645.db2.gz HWWZKVJZCITOEP-WBVHZDCISA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C[C@@]2(C)C1 ZINC000982832073 753886533 /nfs/dbraw/zinc/88/65/33/753886533.db2.gz UFBSNJQRQWIUCQ-LZQZEXGQSA-N 1 1 341.459 0.953 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F ZINC001008546697 753898404 /nfs/dbraw/zinc/89/84/04/753898404.db2.gz KWFFUOZTEQULLE-ZNMIVQPWSA-N 1 1 344.390 0.899 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F ZINC001008546697 753898409 /nfs/dbraw/zinc/89/84/09/753898409.db2.gz KWFFUOZTEQULLE-ZNMIVQPWSA-N 1 1 344.390 0.899 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001028603839 753901439 /nfs/dbraw/zinc/90/14/39/753901439.db2.gz JHYIBAIZHVGFPG-HOTGVXAUSA-N 1 1 327.432 0.907 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)CSCC#N ZINC001075678174 754017069 /nfs/dbraw/zinc/01/70/69/754017069.db2.gz OQPJPGYOIGAYQL-LBPRGKRZSA-N 1 1 328.482 0.984 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)N(C)C)CC2)nc1 ZINC000989513135 754064182 /nfs/dbraw/zinc/06/41/82/754064182.db2.gz XOXJNTLDFFESFB-CQSZACIVSA-N 1 1 328.416 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H](C)C(=O)N(C)C)CC2)nc1 ZINC000989513135 754064187 /nfs/dbraw/zinc/06/41/87/754064187.db2.gz XOXJNTLDFFESFB-CQSZACIVSA-N 1 1 328.416 0.688 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3ncccn3)C[C@@H]2C)nn1 ZINC000989535420 754078202 /nfs/dbraw/zinc/07/82/02/754078202.db2.gz AZMUWLXMMNGJMO-QWHCGFSZSA-N 1 1 327.392 0.647 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3ncc(C)cn3)C[C@@H]2C)nn1 ZINC000989537682 754085870 /nfs/dbraw/zinc/08/58/70/754085870.db2.gz WKMLPULKNAEFST-KBPBESRZSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)[nH]3)C[C@@H]2C)nn1 ZINC000989543302 754091581 /nfs/dbraw/zinc/09/15/81/754091581.db2.gz KHHJXQWORWVXLU-AAEUAGOBSA-N 1 1 344.423 0.674 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001008795690 754127914 /nfs/dbraw/zinc/12/79/14/754127914.db2.gz RBSQZANBORBXRO-OAHLLOKOSA-N 1 1 343.435 0.900 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001008795690 754127917 /nfs/dbraw/zinc/12/79/17/754127917.db2.gz RBSQZANBORBXRO-OAHLLOKOSA-N 1 1 343.435 0.900 20 30 ECEDMO CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000982904101 754139335 /nfs/dbraw/zinc/13/93/35/754139335.db2.gz DBADAFJHSRQVDE-IXDOHACOSA-N 1 1 347.459 0.474 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](CNC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001028640595 754146490 /nfs/dbraw/zinc/14/64/90/754146490.db2.gz RKUYGQNQENCZKM-CYBMUJFWSA-N 1 1 327.388 0.813 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](CCn3cncn3)C2)nn1 ZINC001008824782 754162898 /nfs/dbraw/zinc/16/28/98/754162898.db2.gz NRAVJIVHCRYJEQ-CQSZACIVSA-N 1 1 344.423 0.340 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)C2)nn1 ZINC001008824782 754162903 /nfs/dbraw/zinc/16/29/03/754162903.db2.gz NRAVJIVHCRYJEQ-CQSZACIVSA-N 1 1 344.423 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C2=CCOCC2)C1 ZINC000982924726 754212257 /nfs/dbraw/zinc/21/22/57/754212257.db2.gz ZNPHMGWYZDALRW-WBVHZDCISA-N 1 1 345.443 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C2=CCOCC2)C1 ZINC000982924726 754212262 /nfs/dbraw/zinc/21/22/62/754212262.db2.gz ZNPHMGWYZDALRW-WBVHZDCISA-N 1 1 345.443 0.395 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2nonc2C)C1 ZINC000982937335 754247475 /nfs/dbraw/zinc/24/74/75/754247475.db2.gz ULSHUDFXWNIHRP-KGLIPLIRSA-N 1 1 345.403 0.054 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2nonc2C)C1 ZINC000982937335 754247479 /nfs/dbraw/zinc/24/74/79/754247479.db2.gz ULSHUDFXWNIHRP-KGLIPLIRSA-N 1 1 345.403 0.054 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C)c1 ZINC000989805611 754479336 /nfs/dbraw/zinc/47/93/36/754479336.db2.gz ULXZHHYWEOJHKN-COXVUDFISA-N 1 1 340.427 0.876 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001009095637 754535368 /nfs/dbraw/zinc/53/53/68/754535368.db2.gz KFSCNPGJPRRRII-CYBMUJFWSA-N 1 1 336.436 0.864 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001060002898 754586138 /nfs/dbraw/zinc/58/61/38/754586138.db2.gz FYUDGJOFJWOGFU-KGLIPLIRSA-N 1 1 328.420 0.515 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC001009191594 754634879 /nfs/dbraw/zinc/63/48/79/754634879.db2.gz ODRDEJNLBSNDAJ-NXOAAHMSSA-N 1 1 340.427 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC001009191594 754634881 /nfs/dbraw/zinc/63/48/81/754634881.db2.gz ODRDEJNLBSNDAJ-NXOAAHMSSA-N 1 1 340.427 0.547 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccon3)C[C@H]21 ZINC001009191540 754634905 /nfs/dbraw/zinc/63/49/05/754634905.db2.gz NUVSRAYAZQKHIA-AYDFFVQHSA-N 1 1 342.399 0.206 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccon3)C[C@H]21 ZINC001009191540 754634907 /nfs/dbraw/zinc/63/49/07/754634907.db2.gz NUVSRAYAZQKHIA-AYDFFVQHSA-N 1 1 342.399 0.206 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCN3CCCC3=O)C2)nc1 ZINC001009268832 754725308 /nfs/dbraw/zinc/72/53/08/754725308.db2.gz LCQYVGROWYGXCB-INIZCTEOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)nc1 ZINC001009268832 754725310 /nfs/dbraw/zinc/72/53/10/754725310.db2.gz LCQYVGROWYGXCB-INIZCTEOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC001009269837 754726594 /nfs/dbraw/zinc/72/65/94/754726594.db2.gz PZPIUKGOVZJUKV-UKRRQHHQSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC001009269837 754726595 /nfs/dbraw/zinc/72/65/95/754726595.db2.gz PZPIUKGOVZJUKV-UKRRQHHQSA-N 1 1 328.416 0.734 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H]2CCCNC2=O)CC3)c1 ZINC000990159438 754784805 /nfs/dbraw/zinc/78/48/05/754784805.db2.gz DLQOPGYJNFOSAP-VKJFTORMSA-N 1 1 341.415 0.892 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990164284 754789681 /nfs/dbraw/zinc/78/96/81/754789681.db2.gz UAWIBSZFUNCYOF-WBVHZDCISA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990164284 754789685 /nfs/dbraw/zinc/78/96/85/754789685.db2.gz UAWIBSZFUNCYOF-WBVHZDCISA-N 1 1 339.403 0.942 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001028724028 754856323 /nfs/dbraw/zinc/85/63/23/754856323.db2.gz ALNJEMKWZSXWFG-ZDUSSCGKSA-N 1 1 344.423 0.712 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 ZINC001098688319 754856987 /nfs/dbraw/zinc/85/69/87/754856987.db2.gz MCWXADNKTVYMSA-AWEZNQCLSA-N 1 1 333.440 0.395 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990252147 754879139 /nfs/dbraw/zinc/87/91/39/754879139.db2.gz PUDKMCQNGZPTEK-KEYYUXOJSA-N 1 1 329.404 0.877 20 30 ECEDMO CCn1cc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)nn1 ZINC001051563171 762345908 /nfs/dbraw/zinc/34/59/08/762345908.db2.gz OYZADWUWEGCWDL-HNNXBMFYSA-N 1 1 343.391 0.129 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)s1 ZINC001028735891 754923079 /nfs/dbraw/zinc/92/30/79/754923079.db2.gz SSSORVXJPQAUDC-SMDDNHRTSA-N 1 1 332.429 0.694 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001028740494 754939227 /nfs/dbraw/zinc/93/92/27/754939227.db2.gz RAYBNJDECMZLKR-HOTGVXAUSA-N 1 1 341.415 0.520 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001028740819 754945798 /nfs/dbraw/zinc/94/57/98/754945798.db2.gz SPGAOSSXZZGUNY-XJKSGUPXSA-N 1 1 341.415 0.520 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@H]1C ZINC001088723478 755274029 /nfs/dbraw/zinc/27/40/29/755274029.db2.gz GQWYGRQTPOQAJM-CJNGLKHVSA-N 1 1 329.400 0.767 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2ccnc(C#N)n2)C1 ZINC001060308227 762378787 /nfs/dbraw/zinc/37/87/87/762378787.db2.gz UVFUGQQAXJRFDB-CABCVRRESA-N 1 1 342.447 0.905 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028862700 755334043 /nfs/dbraw/zinc/33/40/43/755334043.db2.gz XEKGIRAZHCPRBJ-YDHLFZDLSA-N 1 1 349.435 0.028 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028862700 755334045 /nfs/dbraw/zinc/33/40/45/755334045.db2.gz XEKGIRAZHCPRBJ-YDHLFZDLSA-N 1 1 349.435 0.028 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001009768830 755382446 /nfs/dbraw/zinc/38/24/46/755382446.db2.gz QRNFMQLUXBBQOY-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001009768830 755382453 /nfs/dbraw/zinc/38/24/53/755382453.db2.gz QRNFMQLUXBBQOY-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@@H]1C(C)C ZINC001105669026 755655314 /nfs/dbraw/zinc/65/53/14/755655314.db2.gz ORYUXBUEOXFJSH-LMSBXDPUSA-N 1 1 336.480 0.818 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC001075995816 755666483 /nfs/dbraw/zinc/66/64/83/755666483.db2.gz FTUMZLOBNZIBSM-SWLSCSKDSA-N 1 1 340.383 0.582 20 30 ECEDMO C=CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CNC(N)=O)CC1 ZINC001105673926 755806218 /nfs/dbraw/zinc/80/62/18/755806218.db2.gz QSIAOHRJBAKNNS-IYBDPMFKSA-N 1 1 349.479 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2CC(F)(F)C2)C1 ZINC000990750394 755825260 /nfs/dbraw/zinc/82/52/60/755825260.db2.gz HMSSQQMSMXKXBA-ZDUSSCGKSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2CC(F)(F)C2)C1 ZINC000990750394 755825266 /nfs/dbraw/zinc/82/52/66/755825266.db2.gz HMSSQQMSMXKXBA-ZDUSSCGKSA-N 1 1 325.359 0.456 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1 ZINC001076012539 755993492 /nfs/dbraw/zinc/99/34/92/755993492.db2.gz LAWJQCAUFGFUNO-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001076027426 756009575 /nfs/dbraw/zinc/00/95/75/756009575.db2.gz OXBPDRNSNIQGKP-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001076027426 756009580 /nfs/dbraw/zinc/00/95/80/756009580.db2.gz OXBPDRNSNIQGKP-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C3CCCC3)CCNC2=O)[C@@H](O)C1 ZINC001083539087 756015161 /nfs/dbraw/zinc/01/51/61/756015161.db2.gz GMUKPMLOJCTGOH-GJYPPUQNSA-N 1 1 349.475 0.810 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CCn3ccnn3)C2)nn1 ZINC001098661325 756037373 /nfs/dbraw/zinc/03/73/73/756037373.db2.gz JYDJAHSKILPRBA-HNNXBMFYSA-N 1 1 344.423 0.399 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 ZINC001076085008 756065039 /nfs/dbraw/zinc/06/50/39/756065039.db2.gz WPXKRMSLBLUDLQ-XJKSGUPXSA-N 1 1 339.403 0.780 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001010397938 756082330 /nfs/dbraw/zinc/08/23/30/756082330.db2.gz NKDGOHIJDKMMAS-ZFWWWQNUSA-N 1 1 332.404 0.503 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001010397938 756082337 /nfs/dbraw/zinc/08/23/37/756082337.db2.gz NKDGOHIJDKMMAS-ZFWWWQNUSA-N 1 1 332.404 0.503 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)C1=O ZINC001010416204 756104133 /nfs/dbraw/zinc/10/41/33/756104133.db2.gz PIDKMVOORQJRHI-IUODEOHRSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)C1=O ZINC001010416204 756104137 /nfs/dbraw/zinc/10/41/37/756104137.db2.gz PIDKMVOORQJRHI-IUODEOHRSA-N 1 1 332.379 0.812 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076183344 756181914 /nfs/dbraw/zinc/18/19/14/756181914.db2.gz VVSCESIFJWUZKE-WFASDCNBSA-N 1 1 347.419 0.232 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076183344 756181915 /nfs/dbraw/zinc/18/19/15/756181915.db2.gz VVSCESIFJWUZKE-WFASDCNBSA-N 1 1 347.419 0.232 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC(=O)C1 ZINC001010496248 756183810 /nfs/dbraw/zinc/18/38/10/756183810.db2.gz LRQHVVHEUBRXCI-DOTOQJQBSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC(=O)C1 ZINC001010496248 756183812 /nfs/dbraw/zinc/18/38/12/756183812.db2.gz LRQHVVHEUBRXCI-DOTOQJQBSA-N 1 1 343.402 0.894 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)c1 ZINC001076223042 756233681 /nfs/dbraw/zinc/23/36/81/756233681.db2.gz FPFDCWMIWNVLFL-IVMMDQJWSA-N 1 1 326.400 0.344 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)c1 ZINC001076223042 756233684 /nfs/dbraw/zinc/23/36/84/756233684.db2.gz FPFDCWMIWNVLFL-IVMMDQJWSA-N 1 1 326.400 0.344 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 ZINC001076237927 756260187 /nfs/dbraw/zinc/26/01/87/756260187.db2.gz HFKPQEURVISNGZ-XUWVNRHRSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)[C@@H](C)OC)C2)C1 ZINC001010577088 756264995 /nfs/dbraw/zinc/26/49/95/756264995.db2.gz PCNUFBBFVDHHLK-CVEARBPZSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)[C@@H](C)OC)C2)C1 ZINC001010577088 756264999 /nfs/dbraw/zinc/26/49/99/756264999.db2.gz PCNUFBBFVDHHLK-CVEARBPZSA-N 1 1 347.459 0.570 20 30 ECEDMO CC(C)(C)n1cc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 ZINC001051608568 762457100 /nfs/dbraw/zinc/45/71/00/762457100.db2.gz DVTZKVUFIMQLGK-INIZCTEOSA-N 1 1 345.447 0.764 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4cnc[nH]4)[C@@H]3C2)C1=O ZINC001076294943 756339840 /nfs/dbraw/zinc/33/98/40/756339840.db2.gz AYJDOGNBXSQJQR-CWRNSKLLSA-N 1 1 343.431 0.272 20 30 ECEDMO CC(C)N1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010659295 756361505 /nfs/dbraw/zinc/36/15/05/756361505.db2.gz VLYITBSZIRIZQZ-DZGCQCFKSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010659295 756361512 /nfs/dbraw/zinc/36/15/12/756361512.db2.gz VLYITBSZIRIZQZ-DZGCQCFKSA-N 1 1 329.404 0.700 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)c[nH]1 ZINC001010699510 756415020 /nfs/dbraw/zinc/41/50/20/756415020.db2.gz UTLDOFBTEIIVJV-XJKSGUPXSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)c[nH]1 ZINC001010699510 756415025 /nfs/dbraw/zinc/41/50/25/756415025.db2.gz UTLDOFBTEIIVJV-XJKSGUPXSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnon4)[C@@H]3C2)C1=O ZINC001076376401 756443378 /nfs/dbraw/zinc/44/33/78/756443378.db2.gz BJNATMWQEAVDPM-IACUBPJLSA-N 1 1 331.376 0.003 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)[C@@H]2C1 ZINC001076412279 756482999 /nfs/dbraw/zinc/48/29/99/756482999.db2.gz YBSHWTVLJVKVEA-GOEBONIOSA-N 1 1 336.399 0.832 20 30 ECEDMO Cn1oc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cc1=O ZINC001010772754 756504516 /nfs/dbraw/zinc/50/45/16/756504516.db2.gz JPUVCAKSWOOSSU-JTQLQIEISA-N 1 1 332.385 0.916 20 30 ECEDMO Cn1oc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cc1=O ZINC001010772754 756504522 /nfs/dbraw/zinc/50/45/22/756504522.db2.gz JPUVCAKSWOOSSU-JTQLQIEISA-N 1 1 332.385 0.916 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@@H]2C1 ZINC001076457457 756534861 /nfs/dbraw/zinc/53/48/61/756534861.db2.gz DVGHBXHVOINEBX-WDEREUQCSA-N 1 1 334.376 0.619 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001010812002 756554710 /nfs/dbraw/zinc/55/47/10/756554710.db2.gz AVODKNXDSYYBTM-KBPBESRZSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001010812002 756554720 /nfs/dbraw/zinc/55/47/20/756554720.db2.gz AVODKNXDSYYBTM-KBPBESRZSA-N 1 1 329.404 0.376 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011028455 756790957 /nfs/dbraw/zinc/79/09/57/756790957.db2.gz YWJRPHGEALZGIY-UHFFFAOYSA-N 1 1 326.360 0.376 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2cnc(C#N)cn2)C1 ZINC001060129257 756805011 /nfs/dbraw/zinc/80/50/11/756805011.db2.gz LKHUQGCIPZGIJA-HUUCEWRRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2cnc(C#N)cn2)C1 ZINC001060129257 756805018 /nfs/dbraw/zinc/80/50/18/756805018.db2.gz LKHUQGCIPZGIJA-HUUCEWRRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)nc2)C1 ZINC001060130093 756815507 /nfs/dbraw/zinc/81/55/07/756815507.db2.gz ZZCRUAUEAHKGLG-DOTOQJQBSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)nc2)C1 ZINC001060130093 756815517 /nfs/dbraw/zinc/81/55/17/756815517.db2.gz ZZCRUAUEAHKGLG-DOTOQJQBSA-N 1 1 343.431 0.759 20 30 ECEDMO O=C(C#CC1CC1)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001011109351 756939076 /nfs/dbraw/zinc/93/90/76/756939076.db2.gz ATWFVPHGAPQCKN-SJORKVTESA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCCO[C@H](C)C(=O)NCc1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001107140435 756960935 /nfs/dbraw/zinc/96/09/35/756960935.db2.gz FCPNARDPWJHVNH-CHWSQXEVSA-N 1 1 337.424 0.113 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1 ZINC000996120703 756986451 /nfs/dbraw/zinc/98/64/51/756986451.db2.gz AIDGOTRXQVDHES-MWNCTCPHSA-N 1 1 341.415 0.700 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCC(=O)NCC)nn2)C1 ZINC001107142883 757013403 /nfs/dbraw/zinc/01/34/03/757013403.db2.gz UTBGOCYGTFYTRF-UHFFFAOYSA-N 1 1 334.424 0.243 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4(F)F)C[C@H]3C2)C1=O ZINC001048807229 757059911 /nfs/dbraw/zinc/05/99/11/757059911.db2.gz LYXJLUMTDOBVEK-CRWXNKLISA-N 1 1 339.386 0.819 20 30 ECEDMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1)NC1CCOCC1 ZINC001048811008 757070894 /nfs/dbraw/zinc/07/08/94/757070894.db2.gz YFARUYWRSXTYQD-IYBDPMFKSA-N 1 1 345.443 0.085 20 30 ECEDMO CC(C)N1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)C1=O ZINC001048812420 757073207 /nfs/dbraw/zinc/07/32/07/757073207.db2.gz JBSDCGHDJKGMQW-BBWFWOEESA-N 1 1 329.444 0.799 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C2)CC[N@H+]1C ZINC001048814012 757079813 /nfs/dbraw/zinc/07/98/13/757079813.db2.gz RKQXLLXHTZNIBE-YVSFHVDLSA-N 1 1 349.475 0.406 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001048813859 757079925 /nfs/dbraw/zinc/07/99/25/757079925.db2.gz OLYWRMRRPPMXBM-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](CC)OC)C[C@@H]2C1 ZINC001048869605 757237536 /nfs/dbraw/zinc/23/75/36/757237536.db2.gz AINPHMUDPWAPST-XDNAFOTISA-N 1 1 333.476 0.899 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC001048870276 757239098 /nfs/dbraw/zinc/23/90/98/757239098.db2.gz VYUWSEXAWOMCMX-KSZLIROESA-N 1 1 341.459 0.371 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1O ZINC001076812745 757256960 /nfs/dbraw/zinc/25/69/60/757256960.db2.gz SALVYSPFGQVQMG-BRWVUGGUSA-N 1 1 346.406 0.453 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12 ZINC000990996802 757284030 /nfs/dbraw/zinc/28/40/30/757284030.db2.gz LWHUJFURFYQZEI-ZBFHGGJFSA-N 1 1 341.477 0.711 20 30 ECEDMO C#CCC1(C(=O)NCc2cn(C3C[NH+](C[C@H](C)OC)C3)nn2)CCC1 ZINC001107178147 757331480 /nfs/dbraw/zinc/33/14/80/757331480.db2.gz JPXWQLLYTFFYMO-AWEZNQCLSA-N 1 1 345.447 0.980 20 30 ECEDMO C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)cc1 ZINC001048899546 757339324 /nfs/dbraw/zinc/33/93/24/757339324.db2.gz OWAFOVSAEJOAKA-GASCZTMLSA-N 1 1 329.400 0.741 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4cn[nH]n4)C[C@H]3C2)s1 ZINC001048913514 757386038 /nfs/dbraw/zinc/38/60/38/757386038.db2.gz GCWBDIDEIXYNIY-PHIMTYICSA-N 1 1 328.401 0.942 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cn3nc(C)cc3C)nn2)C1 ZINC001107184288 757415461 /nfs/dbraw/zinc/41/54/61/757415461.db2.gz HXLRTKZQYQXFKY-UHFFFAOYSA-N 1 1 343.435 0.841 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3ccon3)nn2)C1 ZINC001107184779 757417996 /nfs/dbraw/zinc/41/79/96/757417996.db2.gz BVLUCFIIOUUBHJ-UHFFFAOYSA-N 1 1 330.392 0.948 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@H]2C1 ZINC001048954589 757505319 /nfs/dbraw/zinc/50/53/19/757505319.db2.gz TXLJPAZVEDYXLO-OKILXGFUSA-N 1 1 325.372 0.556 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC001076898696 757518447 /nfs/dbraw/zinc/51/84/47/757518447.db2.gz WANJVWXRHUWPPG-IAGOWNOFSA-N 1 1 340.383 0.870 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC001076898696 757518452 /nfs/dbraw/zinc/51/84/52/757518452.db2.gz WANJVWXRHUWPPG-IAGOWNOFSA-N 1 1 340.383 0.870 20 30 ECEDMO CC(C)(C)n1nnc(C[NH2+]C2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC000996394315 757535515 /nfs/dbraw/zinc/53/55/15/757535515.db2.gz NRPPFFJIMZZPLG-UHFFFAOYSA-N 1 1 330.436 0.922 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001048966067 757539726 /nfs/dbraw/zinc/53/97/26/757539726.db2.gz CIYPOYOQRKWOEJ-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cnco4)C[C@H]3C2)C1=O ZINC001048967608 757543667 /nfs/dbraw/zinc/54/36/67/757543667.db2.gz JPQXBJMNQWONJO-HZSPNIEDSA-N 1 1 330.388 0.465 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000996444205 757618778 /nfs/dbraw/zinc/61/87/78/757618778.db2.gz VYWUKOSFIRNIEU-KMFMINBZSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001021591709 757655512 /nfs/dbraw/zinc/65/55/12/757655512.db2.gz MBKCXRCWFFUBRM-ZIAGYGMSSA-N 1 1 330.436 0.988 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001021591699 757655784 /nfs/dbraw/zinc/65/57/84/757655784.db2.gz MBKCXRCWFFUBRM-KBPBESRZSA-N 1 1 330.436 0.988 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCCS2(=O)=O)C1 ZINC001021594949 757660544 /nfs/dbraw/zinc/66/05/44/757660544.db2.gz RZMASAROSJRBBN-CABCVRRESA-N 1 1 341.477 0.521 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001021597967 757667160 /nfs/dbraw/zinc/66/71/60/757667160.db2.gz SMIWWLGXDKGRNX-UKRRQHHQSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001021612272 757685706 /nfs/dbraw/zinc/68/57/06/757685706.db2.gz XPSIJOJKSQVUBT-CABCVRRESA-N 1 1 328.416 0.946 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021621229 757697249 /nfs/dbraw/zinc/69/72/49/757697249.db2.gz ZQYDKBFBPRDIFJ-HUUCEWRRSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021621229 757697254 /nfs/dbraw/zinc/69/72/54/757697254.db2.gz ZQYDKBFBPRDIFJ-HUUCEWRRSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021621537 757697580 /nfs/dbraw/zinc/69/75/80/757697580.db2.gz BUWKAAHDVIXAIR-CABCVRRESA-N 1 1 344.415 0.285 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCCNC2=O)C1 ZINC001021625069 757705000 /nfs/dbraw/zinc/70/50/00/757705000.db2.gz NKMAZVBQGNRANS-HOTGVXAUSA-N 1 1 332.448 0.738 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001021653231 757743373 /nfs/dbraw/zinc/74/33/73/757743373.db2.gz VWOVGQFHMSVYHK-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049035599 757753382 /nfs/dbraw/zinc/75/33/82/757753382.db2.gz LXMCIBOPWFXXFI-KYZVSKTDSA-N 1 1 333.432 0.784 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3C[N@H+](CC(N)=O)CC[C@H]32)c1 ZINC001021666973 757761989 /nfs/dbraw/zinc/76/19/89/757761989.db2.gz DUPOINUXPXZWDW-GDBMZVCRSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(N)=O)CC[C@H]32)c1 ZINC001021666973 757761994 /nfs/dbraw/zinc/76/19/94/757761994.db2.gz DUPOINUXPXZWDW-GDBMZVCRSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)c1 ZINC001049047232 757773267 /nfs/dbraw/zinc/77/32/67/757773267.db2.gz BJHRDSHTECAYRH-IXDOHACOSA-N 1 1 338.411 0.345 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)C[C@@H]3C2)c1 ZINC001049047941 757775795 /nfs/dbraw/zinc/77/57/95/757775795.db2.gz WJTOTZLSDRVSIT-CALCHBBNSA-N 1 1 336.399 0.358 20 30 ECEDMO C=C(C)CN1CC(n2cc(CNC(=O)CC[NH+]3CCOCC3)nn2)C1 ZINC001107220078 757838979 /nfs/dbraw/zinc/83/89/79/757838979.db2.gz XZXXTJUIMMYYLH-UHFFFAOYSA-N 1 1 348.451 0.049 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021709580 757839580 /nfs/dbraw/zinc/83/95/80/757839580.db2.gz CGWCVNXQFFQMSD-CABCVRRESA-N 1 1 346.431 0.265 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)cc1 ZINC001049061250 757840503 /nfs/dbraw/zinc/84/05/03/757840503.db2.gz RYJMRYNPMHZRRY-TWMKSMIVSA-N 1 1 338.411 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C)c2cccnc2)C1 ZINC000996512608 757842477 /nfs/dbraw/zinc/84/24/77/757842477.db2.gz QEFINXMLVDSLKF-PBHICJAKSA-N 1 1 340.427 0.610 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C)c2cccnc2)C1 ZINC000996512608 757842493 /nfs/dbraw/zinc/84/24/93/757842493.db2.gz QEFINXMLVDSLKF-PBHICJAKSA-N 1 1 340.427 0.610 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)CC[C@H]32)nc1 ZINC001021718591 757858498 /nfs/dbraw/zinc/85/84/98/757858498.db2.gz ZRRBCHDTGHAQKO-GOEBONIOSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)CC[C@H]32)nc1 ZINC001021718591 757858503 /nfs/dbraw/zinc/85/85/03/757858503.db2.gz ZRRBCHDTGHAQKO-GOEBONIOSA-N 1 1 326.400 0.475 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021730698 757873711 /nfs/dbraw/zinc/87/37/11/757873711.db2.gz PQZJDHNNVYAMKF-HUUCEWRRSA-N 1 1 346.431 0.217 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)CC[N@H+]1C ZINC001077022542 757963686 /nfs/dbraw/zinc/96/36/86/757963686.db2.gz GQVBJASQYTZKCT-BNEJOLLZSA-N 1 1 342.443 0.560 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ocnc4C)C[C@@H]3C2)nn1 ZINC001049103848 757966749 /nfs/dbraw/zinc/96/67/49/757966749.db2.gz YRZYYYIWBVWYMN-OKILXGFUSA-N 1 1 342.403 0.965 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)C3(n4cnnn4)CCOCC3)C[C@H]2C1 ZINC001049109084 757983389 /nfs/dbraw/zinc/98/33/89/757983389.db2.gz NCYCTYQAJPVPLB-GASCZTMLSA-N 1 1 346.435 0.145 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]3C2)nn1 ZINC001049110184 757984439 /nfs/dbraw/zinc/98/44/39/757984439.db2.gz SKDNUIRWSHCLOR-HRCADAONSA-N 1 1 345.447 0.895 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]3C2)nn1 ZINC001049110187 757984628 /nfs/dbraw/zinc/98/46/28/757984628.db2.gz SKDNUIRWSHCLOR-OAGGEKHMSA-N 1 1 345.447 0.895 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@H]2C1 ZINC001049111944 757990417 /nfs/dbraw/zinc/99/04/17/757990417.db2.gz BEPLKISMKPOUOV-GASCZTMLSA-N 1 1 336.399 0.689 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)cc1 ZINC001077030448 757993205 /nfs/dbraw/zinc/99/32/05/757993205.db2.gz KVSOKKVTAJEXEG-LHHMISFZSA-N 1 1 327.384 0.256 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)cc1 ZINC001077030448 757993213 /nfs/dbraw/zinc/99/32/13/757993213.db2.gz KVSOKKVTAJEXEG-LHHMISFZSA-N 1 1 327.384 0.256 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccccn3)CCC[C@@H]12 ZINC001107251996 758045773 /nfs/dbraw/zinc/04/57/73/758045773.db2.gz AKZABOBUIBUCQJ-VQIMIIECSA-N 1 1 340.427 0.805 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001077058291 758054984 /nfs/dbraw/zinc/05/49/84/758054984.db2.gz CYFMDVWJZVSXHH-GHMZBOCLSA-N 1 1 332.326 0.790 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001051653894 762598741 /nfs/dbraw/zinc/59/87/41/762598741.db2.gz BOLAZLYYMGFABC-CQSZACIVSA-N 1 1 344.419 0.433 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)OCC=C ZINC001077069564 758113891 /nfs/dbraw/zinc/11/38/91/758113891.db2.gz SDMNCLFZQCZCHF-XHSDSOJGSA-N 1 1 335.448 0.686 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)OCC=C ZINC001077069564 758113894 /nfs/dbraw/zinc/11/38/94/758113894.db2.gz SDMNCLFZQCZCHF-XHSDSOJGSA-N 1 1 335.448 0.686 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)c[nH]1 ZINC001021983719 758128744 /nfs/dbraw/zinc/12/87/44/758128744.db2.gz DAGOJHHRGTYDAW-PHIMTYICSA-N 1 1 326.364 0.258 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049150337 758134283 /nfs/dbraw/zinc/13/42/83/758134283.db2.gz UUQWPZYFGDVWNM-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2C1 ZINC001049162775 758182927 /nfs/dbraw/zinc/18/29/27/758182927.db2.gz ZAJSMDZBICQYLY-OKILXGFUSA-N 1 1 344.415 0.396 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001011646885 758204659 /nfs/dbraw/zinc/20/46/59/758204659.db2.gz BEUMNOMYUXPPCQ-INIZCTEOSA-N 1 1 340.427 0.689 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1O ZINC001049176298 758227640 /nfs/dbraw/zinc/22/76/40/758227640.db2.gz MOKJVMSOVHMUNK-ILXRZTDVSA-N 1 1 337.464 0.713 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCOC3)CCC[C@@H]12 ZINC001107307274 758229376 /nfs/dbraw/zinc/22/93/76/758229376.db2.gz QBBDLXHTJNRNHV-HDMKZQKVSA-N 1 1 333.432 0.133 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)nc1 ZINC001049177941 758233992 /nfs/dbraw/zinc/23/39/92/758233992.db2.gz VSWRZZNYKINMTB-HLLBOEOZSA-N 1 1 338.411 0.297 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)COC(C)(C)C ZINC001077124000 758250617 /nfs/dbraw/zinc/25/06/17/758250617.db2.gz JAYVGPBWZBABFO-GJZGRUSLSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)COC(C)(C)C ZINC001077124000 758250627 /nfs/dbraw/zinc/25/06/27/758250627.db2.gz JAYVGPBWZBABFO-GJZGRUSLSA-N 1 1 337.464 0.910 20 30 ECEDMO C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128762 758267599 /nfs/dbraw/zinc/26/75/99/758267599.db2.gz CTLDUFVJUNSXLQ-IXDOHACOSA-N 1 1 337.464 0.367 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@H]2C1 ZINC001049198000 758280270 /nfs/dbraw/zinc/28/02/70/758280270.db2.gz YLORJVQABOEBRI-BBWFWOEESA-N 1 1 335.448 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCCO1 ZINC001077124319 758282864 /nfs/dbraw/zinc/28/28/64/758282864.db2.gz RRLQYHHDNVKSCM-JYJNAYRXSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCCO1 ZINC001077124319 758282874 /nfs/dbraw/zinc/28/28/74/758282874.db2.gz RRLQYHHDNVKSCM-JYJNAYRXSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1nnc(C)o1 ZINC001077124520 758284284 /nfs/dbraw/zinc/28/42/84/758284284.db2.gz WKDZOXZUCZZHNS-JSGCOSHPSA-N 1 1 347.419 0.029 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1nnc(C)o1 ZINC001077124520 758284295 /nfs/dbraw/zinc/28/42/95/758284295.db2.gz WKDZOXZUCZZHNS-JSGCOSHPSA-N 1 1 347.419 0.029 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2coc(C)n2)C1 ZINC001051660066 762616908 /nfs/dbraw/zinc/61/69/08/762616908.db2.gz KEDLRUPUJLLUIC-IRXDYDNUSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2coc(C)n2)C1 ZINC001051660066 762616912 /nfs/dbraw/zinc/61/69/12/762616912.db2.gz KEDLRUPUJLLUIC-IRXDYDNUSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2coc(C)n2)C1 ZINC001051660066 762616915 /nfs/dbraw/zinc/61/69/15/762616915.db2.gz KEDLRUPUJLLUIC-IRXDYDNUSA-N 1 1 346.431 0.398 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107336091 758317989 /nfs/dbraw/zinc/31/79/89/758317989.db2.gz HGJSORLRKABBRI-JJRVBVJISA-N 1 1 333.436 0.532 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C[C@H]2C1 ZINC001049212083 758323677 /nfs/dbraw/zinc/32/36/77/758323677.db2.gz OIRCOIQNDWWKJT-GASCZTMLSA-N 1 1 328.416 0.755 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NCC2=CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001127756319 758324626 /nfs/dbraw/zinc/32/46/26/758324626.db2.gz IGWMJWUFDWZRTO-AWEZNQCLSA-N 1 1 340.431 0.943 20 30 ECEDMO COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC001107349638 758365749 /nfs/dbraw/zinc/36/57/49/758365749.db2.gz KIIBSOPMEDPFMK-QGPMSJSTSA-N 1 1 346.431 0.868 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CCn3ccnn3)CCC[C@@H]12 ZINC001107378864 758407963 /nfs/dbraw/zinc/40/79/63/758407963.db2.gz PMZIQVKGJGWEAY-SJLPKXTDSA-N 1 1 345.447 0.679 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107379008 758407984 /nfs/dbraw/zinc/40/79/84/758407984.db2.gz WJMNCEQTGPLRSN-AYOQOUSVSA-N 1 1 349.475 0.953 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107379007 758408687 /nfs/dbraw/zinc/40/86/87/758408687.db2.gz WJMNCEQTGPLRSN-ATZDWAIDSA-N 1 1 349.475 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nc(CCC)no2)C1 ZINC001022220470 758439431 /nfs/dbraw/zinc/43/94/31/758439431.db2.gz FURKTUQWBSIWFE-ZNMIVQPWSA-N 1 1 345.447 0.857 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nc(CCC)no2)C1 ZINC001022220470 758439439 /nfs/dbraw/zinc/43/94/39/758439439.db2.gz FURKTUQWBSIWFE-ZNMIVQPWSA-N 1 1 345.447 0.857 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4[nH]cnc4C)C[C@H]3C2)C1=O ZINC001049251782 758440311 /nfs/dbraw/zinc/44/03/11/758440311.db2.gz MZPCCBYAYLRKLO-QLFBSQMISA-N 1 1 343.431 0.509 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)S(C)(=O)=O)CCC[C@@H]12 ZINC001107426264 758535348 /nfs/dbraw/zinc/53/53/48/758535348.db2.gz LURWHJIFYITTCL-GDBMZVCRSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CN(C)S(C)(=O)=O)CCC[C@@H]12 ZINC001107426247 758535563 /nfs/dbraw/zinc/53/55/63/758535563.db2.gz KWUXGJSUNNEFIQ-GDBMZVCRSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001077217770 758540589 /nfs/dbraw/zinc/54/05/89/758540589.db2.gz DSWLOOSOCROENY-IIAWOOMASA-N 1 1 348.447 0.585 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cn[nH]c(=O)c3)CCC[C@@H]12 ZINC001107444734 758580910 /nfs/dbraw/zinc/58/09/10/758580910.db2.gz YQJYXGCUZUNNHE-CRAIPNDOSA-N 1 1 344.415 0.806 20 30 ECEDMO N#Cc1ccccc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777659 758598960 /nfs/dbraw/zinc/59/89/60/758598960.db2.gz APUMDVXBOIBLDX-DLBZAZTESA-N 1 1 328.416 0.627 20 30 ECEDMO N#Cc1ccccc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777659 758598968 /nfs/dbraw/zinc/59/89/68/758598968.db2.gz APUMDVXBOIBLDX-DLBZAZTESA-N 1 1 328.416 0.627 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001077254818 758607512 /nfs/dbraw/zinc/60/75/12/758607512.db2.gz KPNCBKIFHRVTIV-ZFWWWQNUSA-N 1 1 348.451 0.573 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2nccnc2C#N)C1 ZINC001107465984 758624515 /nfs/dbraw/zinc/62/45/15/758624515.db2.gz SBVWEPWCDFOYPQ-NHZBNJEXSA-N 1 1 344.419 0.542 20 30 ECEDMO N#Cc1ccc(F)cc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780101 758633505 /nfs/dbraw/zinc/63/35/05/758633505.db2.gz VYBATELOAPOMHJ-DLBZAZTESA-N 1 1 346.406 0.766 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(NC(C)=O)n2)C1 ZINC001077291628 758707462 /nfs/dbraw/zinc/70/74/62/758707462.db2.gz QMHNPCULKKARFT-DGCLKSJQSA-N 1 1 338.433 0.843 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CCC)S(N)(=O)=O)CCC[C@@H]12 ZINC001107486936 758724417 /nfs/dbraw/zinc/72/44/17/758724417.db2.gz MDUSKRKJBFJEKC-IIAWOOMASA-N 1 1 341.477 0.438 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001049456752 758739474 /nfs/dbraw/zinc/73/94/74/758739474.db2.gz OISFQZCNGYPVPD-RCCFBDPRSA-N 1 1 342.443 0.723 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC001107499648 758768399 /nfs/dbraw/zinc/76/83/99/758768399.db2.gz NLDBIOOQZNINQE-CRAIPNDOSA-N 1 1 334.464 0.355 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)CC2(CCOCC2)C1 ZINC001099565939 758771749 /nfs/dbraw/zinc/77/17/49/758771749.db2.gz KSNCSAIZEIUJDW-AWEZNQCLSA-N 1 1 337.420 0.353 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCOCC)nn2)C1 ZINC001098669145 758821425 /nfs/dbraw/zinc/82/14/25/758821425.db2.gz IIGFLDWQCFQWQN-MRXNPFEDSA-N 1 1 333.436 0.981 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001022568392 758897091 /nfs/dbraw/zinc/89/70/91/758897091.db2.gz SBVZLMCQWIVLDC-SOUVJXGZSA-N 1 1 332.448 0.937 20 30 ECEDMO C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C2)CCC1 ZINC001049549124 758908758 /nfs/dbraw/zinc/90/87/58/758908758.db2.gz UFNKBSPLACSLOB-HOTGVXAUSA-N 1 1 349.475 0.552 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001049559433 758921538 /nfs/dbraw/zinc/92/15/38/758921538.db2.gz GXSDVJRHFBPZNQ-JYJNAYRXSA-N 1 1 335.448 0.160 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2O)C1 ZINC001049560146 758922445 /nfs/dbraw/zinc/92/24/45/758922445.db2.gz PLDLWDJROIMYTM-PMPSAXMXSA-N 1 1 349.475 0.408 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001030340000 762671307 /nfs/dbraw/zinc/67/13/07/762671307.db2.gz KHUMIYHZXLZSKO-ARFHVFGLSA-N 1 1 334.464 0.304 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049579655 758956888 /nfs/dbraw/zinc/95/68/88/758956888.db2.gz MKSWEEZQLGMMSU-GJZGRUSLSA-N 1 1 346.431 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1OCC(N)=O ZINC001049582231 758959175 /nfs/dbraw/zinc/95/91/75/758959175.db2.gz KQKFBHYWVPXLIT-CVEARBPZSA-N 1 1 341.411 0.863 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049594207 758973160 /nfs/dbraw/zinc/97/31/60/758973160.db2.gz JTOFPPSFGARGNK-QXSJWSMHSA-N 1 1 333.432 0.498 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049608623 758987801 /nfs/dbraw/zinc/98/78/01/758987801.db2.gz QYLDSQKHFUZSOP-JYJNAYRXSA-N 1 1 341.415 0.454 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049613562 758994189 /nfs/dbraw/zinc/99/41/89/758994189.db2.gz SALRUABINWRLHP-LSDHHAIUSA-N 1 1 333.436 0.613 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049637590 759036435 /nfs/dbraw/zinc/03/64/35/759036435.db2.gz HRMHBVHROGXWGX-ZIAGYGMSSA-N 1 1 340.855 0.236 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049637590 759036445 /nfs/dbraw/zinc/03/64/45/759036445.db2.gz HRMHBVHROGXWGX-ZIAGYGMSSA-N 1 1 340.855 0.236 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)ccn2C)C1 ZINC000991039494 759048331 /nfs/dbraw/zinc/04/83/31/759048331.db2.gz VCNCVILFGRLDQF-HNNXBMFYSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)ccn2C)C1 ZINC000991039494 759048337 /nfs/dbraw/zinc/04/83/37/759048337.db2.gz VCNCVILFGRLDQF-HNNXBMFYSA-N 1 1 328.416 0.372 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccnc(N3CCCC3)n2)[C@@H](O)C1 ZINC001083580770 759063393 /nfs/dbraw/zinc/06/33/93/759063393.db2.gz VYFSKYGKFHRHGR-CABCVRRESA-N 1 1 331.420 0.428 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccnc(N3CCCC3)n2)[C@@H](O)C1 ZINC001083580770 759063399 /nfs/dbraw/zinc/06/33/99/759063399.db2.gz VYFSKYGKFHRHGR-CABCVRRESA-N 1 1 331.420 0.428 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C2CC2)C1 ZINC001022736787 759066809 /nfs/dbraw/zinc/06/68/09/759066809.db2.gz BWMCRIWEZHTKMC-OBORUHMCSA-N 1 1 346.435 0.897 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)[C@@H](O)C1 ZINC001083584472 759098106 /nfs/dbraw/zinc/09/81/06/759098106.db2.gz XUAQTWIYRBUNIX-XKQJLSEDSA-N 1 1 332.448 0.951 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584472 759098110 /nfs/dbraw/zinc/09/81/10/759098110.db2.gz XUAQTWIYRBUNIX-XKQJLSEDSA-N 1 1 332.448 0.951 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)c1 ZINC001049692932 759107146 /nfs/dbraw/zinc/10/71/46/759107146.db2.gz VKZXDOWJRKKAPF-LSDHHAIUSA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)c1 ZINC001049692932 759107151 /nfs/dbraw/zinc/10/71/51/759107151.db2.gz VKZXDOWJRKKAPF-LSDHHAIUSA-N 1 1 330.363 0.748 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049722995 759133194 /nfs/dbraw/zinc/13/31/94/759133194.db2.gz MPJOOUJLFYLSCN-YHUYYLMFSA-N 1 1 335.448 0.874 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3ccnc3)n2)[C@@H](O)C1 ZINC001083590365 759138278 /nfs/dbraw/zinc/13/82/78/759138278.db2.gz CNSZZDSNDMTWES-CABCVRRESA-N 1 1 325.372 0.066 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)c(C(N)=O)cn1 ZINC001049732129 759144608 /nfs/dbraw/zinc/14/46/08/759144608.db2.gz KLLHUFRISFVUCO-HOTGVXAUSA-N 1 1 326.400 0.801 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)c[nH]c1CC(N)=O ZINC001049744964 759159818 /nfs/dbraw/zinc/15/98/18/759159818.db2.gz CJGXHRQULUTVAI-HUUCEWRRSA-N 1 1 328.416 0.663 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)S(C)(=O)=O ZINC001049767415 759180359 /nfs/dbraw/zinc/18/03/59/759180359.db2.gz GCEZBVJBXPHBPA-ZIAGYGMSSA-N 1 1 326.462 0.898 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)S(C)(=O)=O ZINC001049767415 759180362 /nfs/dbraw/zinc/18/03/62/759180362.db2.gz GCEZBVJBXPHBPA-ZIAGYGMSSA-N 1 1 326.462 0.898 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001049770795 759185120 /nfs/dbraw/zinc/18/51/20/759185120.db2.gz WPADBLSNBASQAP-CABCVRRESA-N 1 1 346.431 0.339 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)N(C)C)nn1 ZINC001049771607 759185289 /nfs/dbraw/zinc/18/52/89/759185289.db2.gz BFMKHIOUTIEFAR-LSDHHAIUSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)N(C)C)nn1 ZINC001049771607 759185294 /nfs/dbraw/zinc/18/52/94/759185294.db2.gz BFMKHIOUTIEFAR-LSDHHAIUSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001049770797 759185346 /nfs/dbraw/zinc/18/53/46/759185346.db2.gz WPADBLSNBASQAP-HUUCEWRRSA-N 1 1 346.431 0.339 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049785318 759203823 /nfs/dbraw/zinc/20/38/23/759203823.db2.gz YLVYXEXBAWUUKV-OLZOCXBDSA-N 1 1 339.823 0.857 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049785318 759203831 /nfs/dbraw/zinc/20/38/31/759203831.db2.gz YLVYXEXBAWUUKV-OLZOCXBDSA-N 1 1 339.823 0.857 20 30 ECEDMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212131163 759208931 /nfs/dbraw/zinc/20/89/31/759208931.db2.gz JLKOQJYICMWNRE-QLFBSQMISA-N 1 1 347.419 0.359 20 30 ECEDMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212131163 759208934 /nfs/dbraw/zinc/20/89/34/759208934.db2.gz JLKOQJYICMWNRE-QLFBSQMISA-N 1 1 347.419 0.359 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2nc[nH]n2)C1=O ZINC001049798840 759225104 /nfs/dbraw/zinc/22/51/04/759225104.db2.gz QXDONCGSHNPWSI-IHRRRGAJSA-N 1 1 344.419 0.271 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2nc[nH]n2)C1=O ZINC001049798840 759225111 /nfs/dbraw/zinc/22/51/11/759225111.db2.gz QXDONCGSHNPWSI-IHRRRGAJSA-N 1 1 344.419 0.271 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c(C)cc(C)nc1=O ZINC001049814453 759245986 /nfs/dbraw/zinc/24/59/86/759245986.db2.gz NBGUCUBSOIDKMX-JKSUJKDBSA-N 1 1 328.416 0.559 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049831185 759267357 /nfs/dbraw/zinc/26/73/57/759267357.db2.gz KIYVQJVTGMXEBP-KGLIPLIRSA-N 1 1 334.420 0.570 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049832347 759269203 /nfs/dbraw/zinc/26/92/03/759269203.db2.gz UYFGVIHXPFYRNO-ZIAGYGMSSA-N 1 1 332.404 0.017 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nc(C)ccc1=O ZINC001049853617 759304764 /nfs/dbraw/zinc/30/47/64/759304764.db2.gz GZKYAMXDBBGSRQ-HZPDHXFCSA-N 1 1 328.416 0.640 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049853260 759305180 /nfs/dbraw/zinc/30/51/80/759305180.db2.gz BMWMMDYTZKSACG-HOTGVXAUSA-N 1 1 329.400 0.765 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049871373 759324800 /nfs/dbraw/zinc/32/48/00/759324800.db2.gz LCCDJSKOKAWJJW-QWHCGFSZSA-N 1 1 334.420 0.568 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049880739 759338262 /nfs/dbraw/zinc/33/82/62/759338262.db2.gz DSROFUQILOPUCQ-KGLIPLIRSA-N 1 1 334.420 0.570 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)COC)C(C)C ZINC001114939921 759343393 /nfs/dbraw/zinc/34/33/93/759343393.db2.gz RZEWUHXVWSSTIO-HDEZJCGLSA-N 1 1 337.464 0.786 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1NC(=O)NC1=O ZINC001049885976 759350281 /nfs/dbraw/zinc/35/02/81/759350281.db2.gz QZDRULZHDUVZNC-MGPQQGTHSA-N 1 1 334.420 0.616 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001047637419 759370240 /nfs/dbraw/zinc/37/02/40/759370240.db2.gz XGGQXELQQUUHBO-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001047637419 759370249 /nfs/dbraw/zinc/37/02/49/759370249.db2.gz XGGQXELQQUUHBO-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(CC)CC)nc2)C1 ZINC001047646050 759400210 /nfs/dbraw/zinc/40/02/10/759400210.db2.gz USPJVSWGKYZQOV-HOTGVXAUSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(CC)CC)nc2)C1 ZINC001047646050 759400218 /nfs/dbraw/zinc/40/02/18/759400218.db2.gz USPJVSWGKYZQOV-HOTGVXAUSA-N 1 1 330.432 0.678 20 30 ECEDMO C=CCC[NH+]1CC(OC2CCN(C(=O)COCCOC)CC2)C1 ZINC001105699899 759403061 /nfs/dbraw/zinc/40/30/61/759403061.db2.gz LYBHNBSXUGVKIF-UHFFFAOYSA-N 1 1 326.437 0.917 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001054242216 767857212 /nfs/dbraw/zinc/85/72/12/767857212.db2.gz HURBFNYZALZFLX-IEBWSBKVSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)C(F)F)[C@@H]3C2)C1=O ZINC001049945400 759437953 /nfs/dbraw/zinc/43/79/53/759437953.db2.gz FUQHQACWMUMRLY-YNEHKIRRSA-N 1 1 327.375 0.961 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001054243997 767859667 /nfs/dbraw/zinc/85/96/67/767859667.db2.gz RZVVGMHXDXSSQW-NVXWUHKLSA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001054243997 767859673 /nfs/dbraw/zinc/85/96/73/767859673.db2.gz RZVVGMHXDXSSQW-NVXWUHKLSA-N 1 1 338.473 0.901 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001049995026 759516598 /nfs/dbraw/zinc/51/65/98/759516598.db2.gz FSHBBSAFRGEMTO-HZSPNIEDSA-N 1 1 347.419 0.011 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001054249757 767867617 /nfs/dbraw/zinc/86/76/17/767867617.db2.gz CWEOJKQCZPBUIW-KBXCAEBGSA-N 1 1 331.416 0.377 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)c[nH]1 ZINC001050026327 759568629 /nfs/dbraw/zinc/56/86/29/759568629.db2.gz YUXARPJIEAGIKT-VBNZEHGJSA-N 1 1 341.415 0.701 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccccc3C#N)C2)C1 ZINC001032202343 759586133 /nfs/dbraw/zinc/58/61/33/759586133.db2.gz QUHVAWMUBITGBJ-GOSISDBHSA-N 1 1 342.443 0.827 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccccc3C#N)C2)C1 ZINC001032202343 759586135 /nfs/dbraw/zinc/58/61/35/759586135.db2.gz QUHVAWMUBITGBJ-GOSISDBHSA-N 1 1 342.443 0.827 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001050078240 759665145 /nfs/dbraw/zinc/66/51/45/759665145.db2.gz LXSCGQOCOYJLGA-MELADBBJSA-N 1 1 331.420 0.655 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(OC2C[NH+](C[C@@H](C)OC)C2)CC1 ZINC001105708783 759670316 /nfs/dbraw/zinc/67/03/16/759670316.db2.gz ZDHAIPWWDLHORF-CABCVRRESA-N 1 1 338.448 0.751 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1cc(C)[nH+]c(C)n1 ZINC001125100022 759675699 /nfs/dbraw/zinc/67/56/99/759675699.db2.gz HVHHXYXJVJCGTJ-PBHICJAKSA-N 1 1 336.436 0.676 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C(N)=O)cn3C)[C@@H]2C1 ZINC001050088224 759680585 /nfs/dbraw/zinc/68/05/85/759680585.db2.gz ZUKYRRARFSGMBE-XJKSGUPXSA-N 1 1 328.416 0.684 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050105582 759715059 /nfs/dbraw/zinc/71/50/59/759715059.db2.gz XUIGDZVVBVWZLR-ZIAGYGMSSA-N 1 1 340.493 0.937 20 30 ECEDMO Cc1nc(N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C)ccc1C#N ZINC001050107183 759717655 /nfs/dbraw/zinc/71/76/55/759717655.db2.gz ZNZHMJWFHCKGJP-KBMXLJTQSA-N 1 1 343.431 0.676 20 30 ECEDMO Cc1nc(N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C)ccc1C#N ZINC001050107183 759717659 /nfs/dbraw/zinc/71/76/59/759717659.db2.gz ZNZHMJWFHCKGJP-KBMXLJTQSA-N 1 1 343.431 0.676 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ncc(C#N)cc1F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125111423 759719591 /nfs/dbraw/zinc/71/95/91/759719591.db2.gz WPJZZZJNSMWFOA-UONOGXRCSA-N 1 1 349.410 0.300 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001050146533 759798244 /nfs/dbraw/zinc/79/82/44/759798244.db2.gz XDHQRDBGJLYXIX-OWCLPIDISA-N 1 1 342.447 0.572 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)nn1 ZINC001050160257 759825477 /nfs/dbraw/zinc/82/54/77/759825477.db2.gz VQSADVOSQYVTRI-VNHYZAJKSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)nn1 ZINC001050160257 759825481 /nfs/dbraw/zinc/82/54/81/759825481.db2.gz VQSADVOSQYVTRI-VNHYZAJKSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3nnnc3C(C)C)[C@@H]2C1 ZINC001050159619 759826035 /nfs/dbraw/zinc/82/60/35/759826035.db2.gz DLVUKUNPPMKAQV-LSDHHAIUSA-N 1 1 330.436 0.743 20 30 ECEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCN(C)S3(=O)=O)cc2C1 ZINC001054285666 767894455 /nfs/dbraw/zinc/89/44/55/767894455.db2.gz ULIWEOBWOGDKHZ-MRXNPFEDSA-N 1 1 349.456 0.838 20 30 ECEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCN(C)S3(=O)=O)cc2C1 ZINC001054285666 767894462 /nfs/dbraw/zinc/89/44/62/767894462.db2.gz ULIWEOBWOGDKHZ-MRXNPFEDSA-N 1 1 349.456 0.838 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)c3nccnc3C(N)=O)cc2C1 ZINC001054291615 767898051 /nfs/dbraw/zinc/89/80/51/767898051.db2.gz YNLGBJKKBRHGGW-UHFFFAOYSA-N 1 1 349.394 0.844 20 30 ECEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)c3nccnc3C(N)=O)cc2C1 ZINC001054291615 767898058 /nfs/dbraw/zinc/89/80/58/767898058.db2.gz YNLGBJKKBRHGGW-UHFFFAOYSA-N 1 1 349.394 0.844 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001050192263 759907527 /nfs/dbraw/zinc/90/75/27/759907527.db2.gz BLCNEOOIUHYBEN-BBWFWOEESA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)CN3CCOCC3)[C@@H]2C1 ZINC001050202076 759929636 /nfs/dbraw/zinc/92/96/36/759929636.db2.gz ISUCNBFQJUYRFY-OKZBNKHCSA-N 1 1 333.476 0.901 20 30 ECEDMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077530398 767910813 /nfs/dbraw/zinc/91/08/13/767910813.db2.gz CPAVTHMGNUJNRE-HZPDHXFCSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077530398 767910817 /nfs/dbraw/zinc/91/08/17/767910817.db2.gz CPAVTHMGNUJNRE-HZPDHXFCSA-N 1 1 339.399 0.575 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC(C)C)C1 ZINC001048214656 760088381 /nfs/dbraw/zinc/08/83/81/760088381.db2.gz POYOZOICIMOIPD-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC(C)C)C1 ZINC001048214656 760088391 /nfs/dbraw/zinc/08/83/91/760088391.db2.gz POYOZOICIMOIPD-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)[C@@H]2C)C1 ZINC001050346716 760157061 /nfs/dbraw/zinc/15/70/61/760157061.db2.gz MIOALVLUMHWWGF-VNQPRFMTSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)[C@@H]2C)C1 ZINC001050346716 760157064 /nfs/dbraw/zinc/15/70/64/760157064.db2.gz MIOALVLUMHWWGF-VNQPRFMTSA-N 1 1 343.431 0.757 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC001012517194 760158334 /nfs/dbraw/zinc/15/83/34/760158334.db2.gz DUJAKKTVQJVDEN-RHSMWYFYSA-N 1 1 340.427 0.545 20 30 ECEDMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C ZINC000995704884 760443455 /nfs/dbraw/zinc/44/34/55/760443455.db2.gz HUGRAPKSKRDTRO-LBPRGKRZSA-N 1 1 328.380 0.050 20 30 ECEDMO C=CCN1CC[C@H](N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001017419099 767958183 /nfs/dbraw/zinc/95/81/83/767958183.db2.gz NHIOWSSQCLOLFN-YVSFHVDLSA-N 1 1 346.475 0.543 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH2+]Cc3nnn(C)n3)C2)nc1 ZINC001048442794 760538810 /nfs/dbraw/zinc/53/88/10/760538810.db2.gz DENSJANAFRQXEP-GXTWGEPZSA-N 1 1 339.403 0.084 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3nnn(C)n3)C2)nc1 ZINC001048442796 760539140 /nfs/dbraw/zinc/53/91/40/760539140.db2.gz DENSJANAFRQXEP-OCCSQVGLSA-N 1 1 339.403 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn[nH]1)C2 ZINC000995804609 760630311 /nfs/dbraw/zinc/63/03/11/760630311.db2.gz FTQNLBHITOHAJH-OEAJRASXSA-N 1 1 341.415 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn[nH]1)C2 ZINC000995804609 760630312 /nfs/dbraw/zinc/63/03/12/760630312.db2.gz FTQNLBHITOHAJH-OEAJRASXSA-N 1 1 341.415 0.369 20 30 ECEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CS(=O)(=O)C1)C2 ZINC001048528966 760667062 /nfs/dbraw/zinc/66/70/62/760667062.db2.gz UMQKFZHLLYVBLO-YOWGUQMCSA-N 1 1 326.462 0.966 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3nnn(C)c3C1)C2 ZINC001048557155 760712304 /nfs/dbraw/zinc/71/23/04/760712304.db2.gz ILKTUQIWMWXZGF-LVQVYYBASA-N 1 1 341.459 0.912 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001048587587 760760649 /nfs/dbraw/zinc/76/06/49/760760649.db2.gz PKKYMEPGNKJUBA-CLLJXQQHSA-N 1 1 332.404 0.645 20 30 ECEDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)CNc1ccc(C#N)cn1 ZINC000912951014 760828209 /nfs/dbraw/zinc/82/82/09/760828209.db2.gz FCUXOSWMPWSIEA-UHFFFAOYSA-N 1 1 331.420 0.982 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC4N=NC(=O)N4C3)CCC[C@H]12 ZINC000991443921 760970836 /nfs/dbraw/zinc/97/08/36/760970836.db2.gz DBRMGUJBANVNRC-SUNYJGFJSA-N 1 1 343.431 0.683 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC4N=NC(=O)N4C3)CCC[C@H]12 ZINC000991444806 760973278 /nfs/dbraw/zinc/97/32/78/760973278.db2.gz GILHMXQDFFEZTG-IIYDPXPESA-N 1 1 331.420 0.845 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3coc(S(N)(=O)=O)c3)CCC[C@H]12 ZINC000991447896 760993690 /nfs/dbraw/zinc/99/36/90/760993690.db2.gz PBMOHURUMLYPHC-WFASDCNBSA-N 1 1 337.401 0.287 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048712540 760999559 /nfs/dbraw/zinc/99/95/59/760999559.db2.gz YTWIIQVAZJWBFG-JYJNAYRXSA-N 1 1 335.448 0.162 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCCCC3)C[C@@H]2C1 ZINC001048728203 761055078 /nfs/dbraw/zinc/05/50/78/761055078.db2.gz XJPLGSVTYHJHNR-HRCADAONSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1O ZINC001048754725 761119454 /nfs/dbraw/zinc/11/94/54/761119454.db2.gz ZXJIHPSIYBXXPH-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001050917514 761138706 /nfs/dbraw/zinc/13/87/06/761138706.db2.gz MNRAUGXKNYWDDA-DOTOQJQBSA-N 1 1 334.464 0.982 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001054532365 768032539 /nfs/dbraw/zinc/03/25/39/768032539.db2.gz PHMKSNYEEMFJPQ-BXUZGUMPSA-N 1 1 342.407 0.533 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)C(=O)NCC3CC3)CC2)C1 ZINC001105729903 761385361 /nfs/dbraw/zinc/38/53/61/761385361.db2.gz CPJYXBZAAGGFAN-UHFFFAOYSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCCCCCC)C[C@H]1OC ZINC001212152618 761412417 /nfs/dbraw/zinc/41/24/17/761412417.db2.gz VVGOUNCGZPQJCS-HZPDHXFCSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1OC ZINC001212152501 761416609 /nfs/dbraw/zinc/41/66/09/761416609.db2.gz SHHQMXFJNHCFAO-HZPDHXFCSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001051088067 761468225 /nfs/dbraw/zinc/46/82/25/761468225.db2.gz YDDHTTQRKGBFAQ-DOTOQJQBSA-N 1 1 330.432 0.594 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1nc(C#N)c(Cl)s1 ZINC001105756154 761535841 /nfs/dbraw/zinc/53/58/41/761535841.db2.gz PYGALERKMBZUOK-WCBMZHEXSA-N 1 1 343.840 0.651 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001017492139 768055423 /nfs/dbraw/zinc/05/54/23/768055423.db2.gz FUQCORFJIBZYEE-DZGCQCFKSA-N 1 1 334.420 0.142 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001017492139 768055428 /nfs/dbraw/zinc/05/54/28/768055428.db2.gz FUQCORFJIBZYEE-DZGCQCFKSA-N 1 1 334.420 0.142 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001051189725 761650265 /nfs/dbraw/zinc/65/02/65/761650265.db2.gz PQSRHZZXBCPVDY-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)nnc3C)C2)C1=O ZINC001014563643 762834117 /nfs/dbraw/zinc/83/41/17/762834117.db2.gz YKXSOFLOWACTHZ-GOEBONIOSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nnc3C)C2)C1=O ZINC001014563643 762834124 /nfs/dbraw/zinc/83/41/24/762834124.db2.gz YKXSOFLOWACTHZ-GOEBONIOSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCOCCCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@@]2(C)C1 ZINC001101190729 762858115 /nfs/dbraw/zinc/85/81/15/762858115.db2.gz SSSGLZBSJCEIAW-DAYGRLMNSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn4c3CCC4)C2)C1=O ZINC001014658714 762965733 /nfs/dbraw/zinc/96/57/33/762965733.db2.gz MLQWHVKHVNWEJT-BBRMVZONSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn4c3CCC4)C2)C1=O ZINC001014658714 762965739 /nfs/dbraw/zinc/96/57/39/762965739.db2.gz MLQWHVKHVNWEJT-BBRMVZONSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001014703041 763015364 /nfs/dbraw/zinc/01/53/64/763015364.db2.gz YOGKOMJOGMHHHF-ZFWWWQNUSA-N 1 1 332.404 0.503 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001014703041 763015370 /nfs/dbraw/zinc/01/53/70/763015370.db2.gz YOGKOMJOGMHHHF-ZFWWWQNUSA-N 1 1 332.404 0.503 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001014776552 763136117 /nfs/dbraw/zinc/13/61/17/763136117.db2.gz PBCRYIPMEVOMEZ-CABCVRRESA-N 1 1 342.447 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001014776552 763136126 /nfs/dbraw/zinc/13/61/26/763136126.db2.gz PBCRYIPMEVOMEZ-CABCVRRESA-N 1 1 342.447 0.470 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001014777247 763136188 /nfs/dbraw/zinc/13/61/88/763136188.db2.gz VVYDJRWHWJNUBS-MSOLQXFVSA-N 1 1 343.475 0.734 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COc1cnn(C)c1 ZINC001089852935 763184065 /nfs/dbraw/zinc/18/40/65/763184065.db2.gz MOTIOMQEKLPEHL-HPBDAGMYSA-N 1 1 342.443 0.991 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001046830104 763188169 /nfs/dbraw/zinc/18/81/69/763188169.db2.gz PEGKMZDOSKMRCZ-MGPQQGTHSA-N 1 1 328.420 0.915 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001105982139 763208552 /nfs/dbraw/zinc/20/85/52/763208552.db2.gz KASVFXYGNQQCCL-LSDHHAIUSA-N 1 1 346.435 0.500 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN([C@H](CC)C(N)=O)C2)CC1 ZINC001046849176 763226285 /nfs/dbraw/zinc/22/62/85/763226285.db2.gz CCQMBZQLCWUADR-CRAIPNDOSA-N 1 1 334.464 0.176 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001046874704 763280298 /nfs/dbraw/zinc/28/02/98/763280298.db2.gz AYLGCLVOLKBKPL-SUMWQHHRSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001046874704 763280301 /nfs/dbraw/zinc/28/03/01/763280301.db2.gz AYLGCLVOLKBKPL-SUMWQHHRSA-N 1 1 331.420 0.699 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000940509458 763359093 /nfs/dbraw/zinc/35/90/93/763359093.db2.gz KBCCJMMWCPIXKC-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001046930746 763408921 /nfs/dbraw/zinc/40/89/21/763408921.db2.gz IGPATVNKKDANSK-ZIAGYGMSSA-N 1 1 331.407 0.967 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001046931059 763408933 /nfs/dbraw/zinc/40/89/33/763408933.db2.gz PTDDIRZCWKUAKO-KGLIPLIRSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCO[C@@H](C[NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001051944305 763412433 /nfs/dbraw/zinc/41/24/33/763412433.db2.gz UVFABYSCJIXZRW-WMZOPIPTSA-N 1 1 349.475 0.185 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cnc(OC)nc2C)C1 ZINC001030461983 763433147 /nfs/dbraw/zinc/43/31/47/763433147.db2.gz FZVDSBPLBBDRQP-INIZCTEOSA-N 1 1 343.431 0.192 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cnc(OC)nc2C)C1 ZINC001030461983 763433153 /nfs/dbraw/zinc/43/31/53/763433153.db2.gz FZVDSBPLBBDRQP-INIZCTEOSA-N 1 1 343.431 0.192 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001054654921 768134163 /nfs/dbraw/zinc/13/41/63/768134163.db2.gz HAELATAIKWWIRO-ZFWWWQNUSA-N 1 1 330.436 0.823 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C#N)C2)O1 ZINC001014922183 763457578 /nfs/dbraw/zinc/45/75/78/763457578.db2.gz AMDFEWKOJWRGOT-ZTFGCOKTSA-N 1 1 342.443 0.968 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C#N)C2)O1 ZINC001014922183 763457583 /nfs/dbraw/zinc/45/75/83/763457583.db2.gz AMDFEWKOJWRGOT-ZTFGCOKTSA-N 1 1 342.443 0.968 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(CC#Cc3ccccc3)C2)O1 ZINC001014923954 763463238 /nfs/dbraw/zinc/46/32/38/763463238.db2.gz KVKLEHUXIFUJRA-BHIYHBOVSA-N 1 1 341.455 0.948 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(CC#Cc3ccccc3)C2)O1 ZINC001014923954 763463242 /nfs/dbraw/zinc/46/32/42/763463242.db2.gz KVKLEHUXIFUJRA-BHIYHBOVSA-N 1 1 341.455 0.948 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001046961387 763468722 /nfs/dbraw/zinc/46/87/22/763468722.db2.gz MHSKEWVACMJUEU-CYBMUJFWSA-N 1 1 348.357 0.835 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001046961387 763468728 /nfs/dbraw/zinc/46/87/28/763468728.db2.gz MHSKEWVACMJUEU-CYBMUJFWSA-N 1 1 348.357 0.835 20 30 ECEDMO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)nn1 ZINC001105995126 763482154 /nfs/dbraw/zinc/48/21/54/763482154.db2.gz NJZDLAAZHKTMAJ-STQMWFEESA-N 1 1 341.375 0.011 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001046969503 763486972 /nfs/dbraw/zinc/48/69/72/763486972.db2.gz BZJRLZCSXHSSIL-CHWSQXEVSA-N 1 1 327.375 0.752 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001046969503 763486982 /nfs/dbraw/zinc/48/69/82/763486982.db2.gz BZJRLZCSXHSSIL-CHWSQXEVSA-N 1 1 327.375 0.752 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(C)cn3)C2)CC1 ZINC001051974025 763487847 /nfs/dbraw/zinc/48/78/47/763487847.db2.gz ADASUNSOUKSHSO-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)CCOCCNc1ccncc1C#N ZINC001127319947 768139466 /nfs/dbraw/zinc/13/94/66/768139466.db2.gz GXQZLZKHILWYOT-UHFFFAOYSA-N 1 1 342.403 0.467 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CC(Nc2ccnc(C#N)n2)C1 ZINC001051999519 763555277 /nfs/dbraw/zinc/55/52/77/763555277.db2.gz FRLOIQUEEZTMEX-YMAMQOFZSA-N 1 1 342.447 0.950 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)nc3C)C2)CC1 ZINC001052004251 763566707 /nfs/dbraw/zinc/56/67/07/763566707.db2.gz JAIZAQHZRHXBHR-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127320435 768145218 /nfs/dbraw/zinc/14/52/18/768145218.db2.gz WDYLWNJBWBKUMO-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ncc[nH]3)C2)CC1 ZINC001052020012 763601673 /nfs/dbraw/zinc/60/16/73/763601673.db2.gz DFOUOHLDNAGDTC-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2ccncc2C#N)C1 ZINC001106004074 763610310 /nfs/dbraw/zinc/61/03/10/763610310.db2.gz LMHDGDSWJHHHRK-GDBMZVCRSA-N 1 1 345.447 0.242 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035301 763640781 /nfs/dbraw/zinc/64/07/81/763640781.db2.gz HIZLGOOBWCGZDD-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035301 763640785 /nfs/dbraw/zinc/64/07/85/763640785.db2.gz HIZLGOOBWCGZDD-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnc(C)o3)C2)CC1 ZINC001052036965 763652554 /nfs/dbraw/zinc/65/25/54/763652554.db2.gz ZJBJAIBCOMXZEE-MRXNPFEDSA-N 1 1 330.432 0.767 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCn4nccc43)C2)CC1 ZINC001052043999 763676725 /nfs/dbraw/zinc/67/67/25/763676725.db2.gz AFJXSOSNDPFLAB-HOTGVXAUSA-N 1 1 342.447 0.503 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn4cccnc4n3)C2)CC1 ZINC001052048537 763696391 /nfs/dbraw/zinc/69/63/91/763696391.db2.gz XDLXVBPRYLCGCX-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)CC1 ZINC001052049811 763703532 /nfs/dbraw/zinc/70/35/32/763703532.db2.gz QHOAAOMITAORHT-HNNXBMFYSA-N 1 1 345.447 0.684 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(=O)c(OC)co3)C2)CC1 ZINC001052052528 763715807 /nfs/dbraw/zinc/71/58/07/763715807.db2.gz PBFIHQZXQCBHKW-CQSZACIVSA-N 1 1 347.415 0.667 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC)C3)c1 ZINC001047145694 763721127 /nfs/dbraw/zinc/72/11/27/763721127.db2.gz LUCHXIBYKWRDRL-IMJJTQAJSA-N 1 1 326.400 0.392 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cn(CC)nn3)C2)CC1 ZINC001052055129 763723767 /nfs/dbraw/zinc/72/37/67/763723767.db2.gz IAULOTJLYRXXHW-KRWDZBQOSA-N 1 1 344.463 0.082 20 30 ECEDMO Cc1cc(C)n(CCC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052059220 763736227 /nfs/dbraw/zinc/73/62/27/763736227.db2.gz DDJIMUXUCMACRD-QGZVFWFLSA-N 1 1 344.463 0.632 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](N2CC[NH+](CCn3cncn3)CC2)C1 ZINC001052061292 763744461 /nfs/dbraw/zinc/74/44/61/763744461.db2.gz WJPWOBBFEIVMQK-INIZCTEOSA-N 1 1 346.479 0.709 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(CCn3cncn3)CC2)C1 ZINC001052061292 763744465 /nfs/dbraw/zinc/74/44/65/763744465.db2.gz WJPWOBBFEIVMQK-INIZCTEOSA-N 1 1 346.479 0.709 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)s1 ZINC001015046237 763745826 /nfs/dbraw/zinc/74/58/26/763745826.db2.gz YSWFTPUGZZLQPJ-VXGBXAGGSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)s1 ZINC001015046237 763745829 /nfs/dbraw/zinc/74/58/29/763745829.db2.gz YSWFTPUGZZLQPJ-VXGBXAGGSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)c1 ZINC001089860581 763747389 /nfs/dbraw/zinc/74/73/89/763747389.db2.gz XWCMCWMUVSCTLS-YVSFHVDLSA-N 1 1 338.411 0.712 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H]1C ZINC001088855484 763770641 /nfs/dbraw/zinc/77/06/41/763770641.db2.gz MMFGMFDCWBTEIB-LTIDMASMSA-N 1 1 347.459 0.759 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001047178126 763771763 /nfs/dbraw/zinc/77/17/63/763771763.db2.gz RUSMCMAVAKHTMX-MJBXVCDLSA-N 1 1 344.415 0.714 20 30 ECEDMO Cc1ncccc1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052084430 763809583 /nfs/dbraw/zinc/80/95/83/763809583.db2.gz VXHDJUUAELYSRE-QGZVFWFLSA-N 1 1 327.432 0.675 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)C1 ZINC001052084671 763809830 /nfs/dbraw/zinc/80/98/30/763809830.db2.gz WKKOGTUHSSIFRE-MRXNPFEDSA-N 1 1 333.480 0.460 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C4CC4)n[nH]3)C2)CC1 ZINC001052087320 763818746 /nfs/dbraw/zinc/81/87/46/763818746.db2.gz RZPAJWNBPSLLMW-OAHLLOKOSA-N 1 1 327.432 0.752 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001047234219 763824015 /nfs/dbraw/zinc/82/40/15/763824015.db2.gz PMCMOOPAJYOWMV-GZBFAFLISA-N 1 1 344.419 0.376 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001047234219 763824025 /nfs/dbraw/zinc/82/40/25/763824025.db2.gz PMCMOOPAJYOWMV-GZBFAFLISA-N 1 1 344.419 0.376 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(C)c3OC)C2)CC1 ZINC001052112599 763908225 /nfs/dbraw/zinc/90/82/25/763908225.db2.gz AIGXEWDEJUIOCA-OAHLLOKOSA-N 1 1 345.447 0.284 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3Cc4cccnc4C3)C2)CC1 ZINC001052113401 763912238 /nfs/dbraw/zinc/91/22/38/763912238.db2.gz UPAKDLHNGYSPTL-IRXDYDNUSA-N 1 1 339.443 0.538 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NCC2CC(Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001052119678 763936493 /nfs/dbraw/zinc/93/64/93/763936493.db2.gz GRGPDTQHLCVIDZ-PFSRBDOWSA-N 1 1 342.447 0.807 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001052119316 763936764 /nfs/dbraw/zinc/93/67/64/763936764.db2.gz OXAPRMGONNROOV-ROUUACIJSA-N 1 1 332.492 0.713 20 30 ECEDMO C[C@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)N1CCCCC1=O ZINC001052119759 763938091 /nfs/dbraw/zinc/93/80/91/763938091.db2.gz VNPLFHNRMSELSC-CVEARBPZSA-N 1 1 347.463 0.129 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)CC1 ZINC001052123383 763948341 /nfs/dbraw/zinc/94/83/41/763948341.db2.gz GIEJRBHSGSLNFM-QZTJIDSGSA-N 1 1 346.475 0.239 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3nn(CC)nc3C)C2)CC1 ZINC001052125533 763954806 /nfs/dbraw/zinc/95/48/06/763954806.db2.gz UWCSDNBVUICGTO-INIZCTEOSA-N 1 1 344.463 0.462 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2nccnc2C#N)C1 ZINC001052132397 763963869 /nfs/dbraw/zinc/96/38/69/763963869.db2.gz SDHQBVNNQXMMCU-XUJLQICISA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2nccnc2C#N)C1 ZINC001052132397 763963873 /nfs/dbraw/zinc/96/38/73/763963873.db2.gz SDHQBVNNQXMMCU-XUJLQICISA-N 1 1 338.415 0.753 20 30 ECEDMO CN(C(=O)[C@H]1CCCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047323460 763996244 /nfs/dbraw/zinc/99/62/44/763996244.db2.gz UZPFYSWAKGKBLD-BZSNNMDCSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)[C@H]1CCCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047323460 763996250 /nfs/dbraw/zinc/99/62/50/763996250.db2.gz UZPFYSWAKGKBLD-BZSNNMDCSA-N 1 1 343.427 0.988 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001052183254 764021344 /nfs/dbraw/zinc/02/13/44/764021344.db2.gz APSXICQUQIRTHV-INIZCTEOSA-N 1 1 339.403 0.716 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001047354659 764093711 /nfs/dbraw/zinc/09/37/11/764093711.db2.gz JLFVXJUYDGKUES-IRXDYDNUSA-N 1 1 346.431 0.820 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777721 764101004 /nfs/dbraw/zinc/10/10/04/764101004.db2.gz JDKMFTCIQQJPPT-JKIFEVAISA-N 1 1 325.428 0.384 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(C)[nH]c3=O)C2)C1=O ZINC001032008461 764108192 /nfs/dbraw/zinc/10/81/92/764108192.db2.gz CGXBOPYEMQZOPD-OAHLLOKOSA-N 1 1 344.415 0.544 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC001089866599 764168389 /nfs/dbraw/zinc/16/83/89/764168389.db2.gz DDUUMMCFNKHAGK-HPBDAGMYSA-N 1 1 341.459 0.940 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCNc1ccnc(C#N)n1 ZINC001106979911 764211385 /nfs/dbraw/zinc/21/13/85/764211385.db2.gz FUIIRWPGZRBQOJ-CQSZACIVSA-N 1 1 330.436 0.905 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398307 764215250 /nfs/dbraw/zinc/21/52/50/764215250.db2.gz JZYFPIHUYXZTFN-PVAVHDDUSA-N 1 1 349.475 0.550 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398307 764215254 /nfs/dbraw/zinc/21/52/54/764215254.db2.gz JZYFPIHUYXZTFN-PVAVHDDUSA-N 1 1 349.475 0.550 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052308817 764224304 /nfs/dbraw/zinc/22/43/04/764224304.db2.gz AXWNLDVEEMBKHW-STQMWFEESA-N 1 1 331.420 0.947 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2cccc3OC)C1 ZINC001047402485 764228171 /nfs/dbraw/zinc/22/81/71/764228171.db2.gz OMKRGWQNSUQDPK-HOTGVXAUSA-N 1 1 342.399 0.483 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001047405313 764237627 /nfs/dbraw/zinc/23/76/27/764237627.db2.gz FHKUNBQXEOLKOB-BZSNNMDCSA-N 1 1 327.428 0.792 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001047405313 764237629 /nfs/dbraw/zinc/23/76/29/764237629.db2.gz FHKUNBQXEOLKOB-BZSNNMDCSA-N 1 1 327.428 0.792 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cn[nH]n1 ZINC001089868223 764238530 /nfs/dbraw/zinc/23/85/30/764238530.db2.gz OULVSYBKPNUGOU-LLLHUVSDSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]nn1 ZINC001089868223 764238534 /nfs/dbraw/zinc/23/85/34/764238534.db2.gz OULVSYBKPNUGOU-LLLHUVSDSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]nn1 ZINC001089868223 764238535 /nfs/dbraw/zinc/23/85/35/764238535.db2.gz OULVSYBKPNUGOU-LLLHUVSDSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn[nH]1 ZINC001089868223 764238542 /nfs/dbraw/zinc/23/85/42/764238542.db2.gz OULVSYBKPNUGOU-LLLHUVSDSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn[nH]1 ZINC001089868223 764238545 /nfs/dbraw/zinc/23/85/45/764238545.db2.gz OULVSYBKPNUGOU-LLLHUVSDSA-N 1 1 327.432 0.929 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc(C)nn3C)C2)C1=O ZINC001015252400 764238785 /nfs/dbraw/zinc/23/87/85/764238785.db2.gz HREZYLDWJCHVKH-HOCLYGCPSA-N 1 1 345.447 0.248 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)nn3C)C2)C1=O ZINC001015252400 764238792 /nfs/dbraw/zinc/23/87/92/764238792.db2.gz HREZYLDWJCHVKH-HOCLYGCPSA-N 1 1 345.447 0.248 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNc1cncc(C#N)n1 ZINC001106985535 764240768 /nfs/dbraw/zinc/24/07/68/764240768.db2.gz UJMCMKKCULCDSY-HNNXBMFYSA-N 1 1 326.404 0.706 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNc1cncc(C#N)n1 ZINC001106985535 764240772 /nfs/dbraw/zinc/24/07/72/764240772.db2.gz UJMCMKKCULCDSY-HNNXBMFYSA-N 1 1 326.404 0.706 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)c[nH]1 ZINC001052319125 764242289 /nfs/dbraw/zinc/24/22/89/764242289.db2.gz RYZZSRHTOVRJOV-GXTWGEPZSA-N 1 1 343.387 0.276 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)[nH]1 ZINC001052319637 764244045 /nfs/dbraw/zinc/24/40/45/764244045.db2.gz HWFXRZXKFAHOCY-DOMZBBRYSA-N 1 1 329.404 0.749 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083778263 764248297 /nfs/dbraw/zinc/24/82/97/764248297.db2.gz GYMJDSNQNNZRQL-MAZHCROVSA-N 1 1 348.472 0.765 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001047412539 764263371 /nfs/dbraw/zinc/26/33/71/764263371.db2.gz XKVBJZAZHKPYCR-KBPBESRZSA-N 1 1 345.399 0.711 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001047414150 764270718 /nfs/dbraw/zinc/27/07/18/764270718.db2.gz ADBWJDDVOHEEDQ-WNRNVDISSA-N 1 1 346.427 0.833 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001047414150 764270724 /nfs/dbraw/zinc/27/07/24/764270724.db2.gz ADBWJDDVOHEEDQ-WNRNVDISSA-N 1 1 346.427 0.833 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(OC)ccc2OC)C1 ZINC001047416213 764277513 /nfs/dbraw/zinc/27/75/13/764277513.db2.gz ZCEVCKSIWKARKV-IRXDYDNUSA-N 1 1 346.427 0.773 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(OC)ccc2OC)C1 ZINC001047416213 764277524 /nfs/dbraw/zinc/27/75/24/764277524.db2.gz ZCEVCKSIWKARKV-IRXDYDNUSA-N 1 1 346.427 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC23CCOCC3)C1 ZINC000995287017 764317061 /nfs/dbraw/zinc/31/70/61/764317061.db2.gz LCHVHZNPAFMFKM-CVEARBPZSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC23CCOCC3)C1 ZINC000995287017 764317065 /nfs/dbraw/zinc/31/70/65/764317065.db2.gz LCHVHZNPAFMFKM-CVEARBPZSA-N 1 1 345.443 0.228 20 30 ECEDMO C=CCN1CC[C@H](N2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001015296620 764325352 /nfs/dbraw/zinc/32/53/52/764325352.db2.gz XBZZARZFKVOBKQ-CABCVRRESA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ncn(C)n3)CC2)C1=O ZINC001052358798 764327136 /nfs/dbraw/zinc/32/71/36/764327136.db2.gz OVKVXRNXLMWLLO-KGLIPLIRSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnc(C)n3c2)C1 ZINC001047436672 764338691 /nfs/dbraw/zinc/33/86/91/764338691.db2.gz AYFQXRIAHSSOHI-GJZGRUSLSA-N 1 1 329.404 0.731 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)c[nH]2)C1 ZINC001047447524 764375688 /nfs/dbraw/zinc/37/56/88/764375688.db2.gz XBMTWLNHHQXYJB-RYUDHWBXSA-N 1 1 326.194 0.528 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)c[nH]2)C1 ZINC001047447524 764375696 /nfs/dbraw/zinc/37/56/96/764375696.db2.gz XBMTWLNHHQXYJB-RYUDHWBXSA-N 1 1 326.194 0.528 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052378917 764366969 /nfs/dbraw/zinc/36/69/69/764366969.db2.gz KQNPNSRUFSQEOA-LSDHHAIUSA-N 1 1 343.431 0.757 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CCOC)n2)C1 ZINC001047453174 764393189 /nfs/dbraw/zinc/39/31/89/764393189.db2.gz OXPIKDFMZVLKGK-HOTGVXAUSA-N 1 1 336.436 0.613 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(=O)NC ZINC001099042707 764400228 /nfs/dbraw/zinc/40/02/28/764400228.db2.gz ABJLVPLSRBYVMP-SUMWQHHRSA-N 1 1 325.453 0.666 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=O)NC ZINC001099042707 764400234 /nfs/dbraw/zinc/40/02/34/764400234.db2.gz ABJLVPLSRBYVMP-SUMWQHHRSA-N 1 1 325.453 0.666 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001047461256 764415492 /nfs/dbraw/zinc/41/54/92/764415492.db2.gz ZAYSRQKONKOTGK-HOTGVXAUSA-N 1 1 341.415 0.267 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001047461256 764415497 /nfs/dbraw/zinc/41/54/97/764415497.db2.gz ZAYSRQKONKOTGK-HOTGVXAUSA-N 1 1 341.415 0.267 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCc3ccnn3C)[C@@H]2C)nn1 ZINC001088906548 764419733 /nfs/dbraw/zinc/41/97/33/764419733.db2.gz AMAAYCDVUABUFF-HIFRSBDPSA-N 1 1 343.435 0.633 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001047465231 764422266 /nfs/dbraw/zinc/42/22/66/764422266.db2.gz UPXWHUNXQAYHPJ-KBPBESRZSA-N 1 1 327.388 0.407 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001047465231 764422270 /nfs/dbraw/zinc/42/22/70/764422270.db2.gz UPXWHUNXQAYHPJ-KBPBESRZSA-N 1 1 327.388 0.407 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001047467562 764427357 /nfs/dbraw/zinc/42/73/57/764427357.db2.gz HOJSLXRXMAFBOD-KBPBESRZSA-N 1 1 331.376 0.223 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001047467562 764427360 /nfs/dbraw/zinc/42/73/60/764427360.db2.gz HOJSLXRXMAFBOD-KBPBESRZSA-N 1 1 331.376 0.223 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)[C@@H]2C)nn1 ZINC001088911029 764428784 /nfs/dbraw/zinc/42/87/84/764428784.db2.gz VIKZPNMKXQFZHQ-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H]2C)nn1 ZINC001088911029 764428789 /nfs/dbraw/zinc/42/87/89/764428789.db2.gz VIKZPNMKXQFZHQ-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C=C(Br)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780102 764451950 /nfs/dbraw/zinc/45/19/50/764451950.db2.gz IOJDHEZXXXYTRF-UHTWSYAYSA-N 1 1 346.269 0.398 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001047470182 764433751 /nfs/dbraw/zinc/43/37/51/764433751.db2.gz OJYFZVXVHCTFMJ-ZNMIVQPWSA-N 1 1 342.447 0.951 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001047470248 764434234 /nfs/dbraw/zinc/43/42/34/764434234.db2.gz LBEAQHBHRIEJRI-ILXRZTDVSA-N 1 1 348.472 0.639 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001047470248 764434236 /nfs/dbraw/zinc/43/42/36/764434236.db2.gz LBEAQHBHRIEJRI-ILXRZTDVSA-N 1 1 348.472 0.639 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccc(C)cc1=O ZINC001089872763 764437713 /nfs/dbraw/zinc/43/77/13/764437713.db2.gz JMJYIHZAXLIOMF-MLHJIOFPSA-N 1 1 339.439 0.959 20 30 ECEDMO CN(C(=O)c1csnn1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047474442 764448583 /nfs/dbraw/zinc/44/85/83/764448583.db2.gz ZUCUGAOZVOEMEV-GJZGRUSLSA-N 1 1 343.412 0.727 20 30 ECEDMO CN(C(=O)c1csnn1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047474442 764448589 /nfs/dbraw/zinc/44/85/89/764448589.db2.gz ZUCUGAOZVOEMEV-GJZGRUSLSA-N 1 1 343.412 0.727 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001047479037 764462539 /nfs/dbraw/zinc/46/25/39/764462539.db2.gz HXAOTHDNJDUVQG-HOTGVXAUSA-N 1 1 341.415 0.487 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncccn3)[C@H]2C)C1=O ZINC001088933258 764515590 /nfs/dbraw/zinc/51/55/90/764515590.db2.gz UINXGABPRVTPOE-HZSPNIEDSA-N 1 1 329.404 0.456 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncccn3)[C@H]2C)C1=O ZINC001088933258 764515596 /nfs/dbraw/zinc/51/55/96/764515596.db2.gz UINXGABPRVTPOE-HZSPNIEDSA-N 1 1 329.404 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2nn(C)cc2Cl)C1 ZINC000991910278 764565795 /nfs/dbraw/zinc/56/57/95/764565795.db2.gz BUIROXSINKQOBO-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2nn(C)cc2Cl)C1 ZINC000991910278 764565799 /nfs/dbraw/zinc/56/57/99/764565799.db2.gz BUIROXSINKQOBO-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001047529308 764607711 /nfs/dbraw/zinc/60/77/11/764607711.db2.gz XZFRYOZGIIGIAJ-HOTGVXAUSA-N 1 1 345.447 0.770 20 30 ECEDMO CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001047529227 764607943 /nfs/dbraw/zinc/60/79/43/764607943.db2.gz VSHUYQFYDZCAGI-IRXDYDNUSA-N 1 1 346.431 0.411 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn(C)c3c2CCCC3)C1 ZINC001047537260 764626973 /nfs/dbraw/zinc/62/69/73/764626973.db2.gz BIIJGTPVQYSVSB-HOTGVXAUSA-N 1 1 330.432 0.439 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn(C)c3c2CCCC3)C1 ZINC001047537260 764626977 /nfs/dbraw/zinc/62/69/77/764626977.db2.gz BIIJGTPVQYSVSB-HOTGVXAUSA-N 1 1 330.432 0.439 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001047552525 764670585 /nfs/dbraw/zinc/67/05/85/764670585.db2.gz IVUNFGZPQONUSM-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001047552525 764670590 /nfs/dbraw/zinc/67/05/90/764670590.db2.gz IVUNFGZPQONUSM-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCOC)C[C@@H]2O)cc1 ZINC001047556598 764687035 /nfs/dbraw/zinc/68/70/35/764687035.db2.gz SSPAWQMWKWZIFL-IRXDYDNUSA-N 1 1 332.400 0.462 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)nn1 ZINC001047557977 764689691 /nfs/dbraw/zinc/68/96/91/764689691.db2.gz SVCHCESYDAOYQW-BPUTZDHNSA-N 1 1 349.435 0.008 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001047562901 764699645 /nfs/dbraw/zinc/69/96/45/764699645.db2.gz ZFPFDCVLMLFVBU-QWRGUYRKSA-N 1 1 334.405 0.231 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001047562901 764699646 /nfs/dbraw/zinc/69/96/46/764699646.db2.gz ZFPFDCVLMLFVBU-QWRGUYRKSA-N 1 1 334.405 0.231 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1OC ZINC001212193232 764713011 /nfs/dbraw/zinc/71/30/11/764713011.db2.gz BNTZSNWVELLIFV-IIAWOOMASA-N 1 1 339.461 0.828 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1OC ZINC001212193232 764713014 /nfs/dbraw/zinc/71/30/14/764713014.db2.gz BNTZSNWVELLIFV-IIAWOOMASA-N 1 1 339.461 0.828 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001052545048 764726002 /nfs/dbraw/zinc/72/60/02/764726002.db2.gz ZOCWDFFNXMCPAG-OAHLLOKOSA-N 1 1 346.431 0.497 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)cc1 ZINC001015484325 764752395 /nfs/dbraw/zinc/75/23/95/764752395.db2.gz BWVZHGVHGBLJCY-INIZCTEOSA-N 1 1 339.395 0.621 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001212194037 764760745 /nfs/dbraw/zinc/76/07/45/764760745.db2.gz NLCJDBSQUYOQFT-INMHGKMJSA-N 1 1 336.436 0.105 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001047580777 764763358 /nfs/dbraw/zinc/76/33/58/764763358.db2.gz URWRCEWNNRPKMB-BPUTZDHNSA-N 1 1 349.435 0.008 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001052563374 764766606 /nfs/dbraw/zinc/76/66/06/764766606.db2.gz QEWRZSOWUCXLKI-OAHLLOKOSA-N 1 1 341.477 0.406 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1OC ZINC001212194407 764769166 /nfs/dbraw/zinc/76/91/66/764769166.db2.gz RPFGLHCCGSQJNU-BFYDXBDKSA-N 1 1 326.437 0.556 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001047590154 764798404 /nfs/dbraw/zinc/79/84/04/764798404.db2.gz YPTMVPUWKNRQQC-HOTGVXAUSA-N 1 1 349.435 0.323 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001047593701 764813346 /nfs/dbraw/zinc/81/33/46/764813346.db2.gz SABUKJSQEFWBQX-HOTGVXAUSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC001052595523 764820758 /nfs/dbraw/zinc/82/07/58/764820758.db2.gz VSYJGODYOBQZRR-GJZGRUSLSA-N 1 1 343.418 0.946 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001052599849 764830221 /nfs/dbraw/zinc/83/02/21/764830221.db2.gz PWHNQUYFDMSKJD-HZPDHXFCSA-N 1 1 337.464 0.579 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC001052607851 764841153 /nfs/dbraw/zinc/84/11/53/764841153.db2.gz UVNRDZAGDKPWMD-AWEZNQCLSA-N 1 1 327.388 0.100 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001047604289 764856185 /nfs/dbraw/zinc/85/61/85/764856185.db2.gz JDUKJVHAIIYTOB-KBPBESRZSA-N 1 1 328.372 0.639 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001047604289 764856197 /nfs/dbraw/zinc/85/61/97/764856197.db2.gz JDUKJVHAIIYTOB-KBPBESRZSA-N 1 1 328.372 0.639 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047627737 764925539 /nfs/dbraw/zinc/92/55/39/764925539.db2.gz VCCDBGYZTRPWQW-SQNIBIBYSA-N 1 1 342.443 0.513 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1=O ZINC001015549703 764935944 /nfs/dbraw/zinc/93/59/44/764935944.db2.gz PWGGVPJKFNLLPH-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1=O ZINC001015549703 764935951 /nfs/dbraw/zinc/93/59/51/764935951.db2.gz PWGGVPJKFNLLPH-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1=O ZINC001015565059 764972974 /nfs/dbraw/zinc/97/29/74/764972974.db2.gz XVWAJNPGPWPTSH-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)CC2)c1 ZINC001052698234 765005012 /nfs/dbraw/zinc/00/50/12/765005012.db2.gz HDACFKLOAWQQRD-CZUORRHYSA-N 1 1 328.416 0.782 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@H]12 ZINC000991976138 765028782 /nfs/dbraw/zinc/02/87/82/765028782.db2.gz QOUVDPZFJSZBMX-RLFYNMQTSA-N 1 1 341.415 0.502 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001052783175 765113725 /nfs/dbraw/zinc/11/37/25/765113725.db2.gz PHYKHCOMCKNZJK-HUUCEWRRSA-N 1 1 325.453 0.740 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786543 765119979 /nfs/dbraw/zinc/11/99/79/765119979.db2.gz XMOQQZFZKFBGDR-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786425 765120273 /nfs/dbraw/zinc/12/02/73/765120273.db2.gz VOBVNGCWUPPTFE-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CCC(=O)N1 ZINC001015663100 765138748 /nfs/dbraw/zinc/13/87/48/765138748.db2.gz QPNZBMIGCRIKGB-ZBEGNZNMSA-N 1 1 332.429 0.979 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CCC(=O)N1 ZINC001015663100 765138750 /nfs/dbraw/zinc/13/87/50/765138750.db2.gz QPNZBMIGCRIKGB-ZBEGNZNMSA-N 1 1 332.429 0.979 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cccnn3)CC2)C1=O ZINC001052817082 765175771 /nfs/dbraw/zinc/17/57/71/765175771.db2.gz RRNQIUTUQLRRFP-HOCLYGCPSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cccnc3C)C2)C1=O ZINC001015699800 765185766 /nfs/dbraw/zinc/18/57/66/765185766.db2.gz BXLSJGBSGQDBMJ-DLBZAZTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cccnc3C)C2)C1=O ZINC001015699800 765185767 /nfs/dbraw/zinc/18/57/67/765185767.db2.gz BXLSJGBSGQDBMJ-DLBZAZTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000992027724 765203726 /nfs/dbraw/zinc/20/37/26/765203726.db2.gz HBKUJROVWPFRRN-KMFMINBZSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001015721387 765238822 /nfs/dbraw/zinc/23/88/22/765238822.db2.gz HXQSCSGUNKJRHF-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001015721387 765238828 /nfs/dbraw/zinc/23/88/28/765238828.db2.gz HXQSCSGUNKJRHF-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001052921825 765351830 /nfs/dbraw/zinc/35/18/30/765351830.db2.gz IXDFCTJJWBSOIY-MGPQQGTHSA-N 1 1 328.420 0.488 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)C2)nn1 ZINC001015821327 765383770 /nfs/dbraw/zinc/38/37/70/765383770.db2.gz UENMQIOCNRFVQI-HNNXBMFYSA-N 1 1 343.435 0.635 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001015823820 765387408 /nfs/dbraw/zinc/38/74/08/765387408.db2.gz AQWRMXAIYKEYPS-YQQAZPJKSA-N 1 1 328.416 0.978 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN([C@@H](C)C(N)=O)CC1 ZINC001052987591 765464508 /nfs/dbraw/zinc/46/45/08/765464508.db2.gz OZISAAHUFUYOJE-DARAHFNDSA-N 1 1 347.463 0.159 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(CC)c3C)C2)C1=O ZINC001015894007 765507426 /nfs/dbraw/zinc/50/74/26/765507426.db2.gz VTFVMAOWMHBKOR-GOEBONIOSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CC)c3C)C2)C1=O ZINC001015894007 765507431 /nfs/dbraw/zinc/50/74/31/765507431.db2.gz VTFVMAOWMHBKOR-GOEBONIOSA-N 1 1 345.447 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC001053054444 765531287 /nfs/dbraw/zinc/53/12/87/765531287.db2.gz MEUMWWYCRHTFOU-JKSUJKDBSA-N 1 1 344.459 0.921 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(CCC)nn3)C2)C1=O ZINC001015915426 765543163 /nfs/dbraw/zinc/54/31/63/765543163.db2.gz QXFFBUNDGUOBOR-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(CCC)nn3)C2)C1=O ZINC001015915426 765543166 /nfs/dbraw/zinc/54/31/66/765543166.db2.gz QXFFBUNDGUOBOR-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001106093582 765599535 /nfs/dbraw/zinc/59/95/35/765599535.db2.gz YVJGDMAGRVISAI-KCQAQPDRSA-N 1 1 346.435 0.276 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001015968692 765638183 /nfs/dbraw/zinc/63/81/83/765638183.db2.gz GASMCOBEZCIXAM-UONOGXRCSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001015968692 765638187 /nfs/dbraw/zinc/63/81/87/765638187.db2.gz GASMCOBEZCIXAM-UONOGXRCSA-N 1 1 346.431 0.927 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001127237266 765649744 /nfs/dbraw/zinc/64/97/44/765649744.db2.gz FILLEDSJILOAQB-INIZCTEOSA-N 1 1 347.419 0.171 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001127237266 765649748 /nfs/dbraw/zinc/64/97/48/765649748.db2.gz FILLEDSJILOAQB-INIZCTEOSA-N 1 1 347.419 0.171 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cnn(CC)c3)C2)C1=O ZINC001015976012 765651926 /nfs/dbraw/zinc/65/19/26/765651926.db2.gz ZPVJKBGSBVOUAD-HZPDHXFCSA-N 1 1 345.447 0.423 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cnn(CC)c3)C2)C1=O ZINC001015976012 765651930 /nfs/dbraw/zinc/65/19/30/765651930.db2.gz ZPVJKBGSBVOUAD-HZPDHXFCSA-N 1 1 345.447 0.423 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001016026996 765730229 /nfs/dbraw/zinc/73/02/29/765730229.db2.gz KRZOOMODZOGKJV-IUODEOHRSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001016026996 765730231 /nfs/dbraw/zinc/73/02/31/765730231.db2.gz KRZOOMODZOGKJV-IUODEOHRSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(CC=C)C3=O)C2)nc1 ZINC001016026784 765730330 /nfs/dbraw/zinc/73/03/30/765730330.db2.gz JJGJHYTXOMREJP-RDJZCZTQSA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(CC=C)C3=O)C2)nc1 ZINC001016026784 765730333 /nfs/dbraw/zinc/73/03/33/765730333.db2.gz JJGJHYTXOMREJP-RDJZCZTQSA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)cn1 ZINC001016030933 765733478 /nfs/dbraw/zinc/73/34/78/765733478.db2.gz MPZWOAODZZYKQN-WMLDXEAASA-N 1 1 340.427 0.783 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNc2cccc(F)c2C#N)C1 ZINC001106103958 765747087 /nfs/dbraw/zinc/74/70/87/765747087.db2.gz FFJIHEZZEGGOKQ-QWHCGFSZSA-N 1 1 334.395 0.928 20 30 ECEDMO Cc1nsc(NC[C@H](O)CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1C#N ZINC001106105827 765765814 /nfs/dbraw/zinc/76/58/14/765765814.db2.gz YIVBMHGGIYUXGZ-CMPLNLGQSA-N 1 1 337.449 0.554 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@H]12 ZINC000992178186 765778081 /nfs/dbraw/zinc/77/80/81/765778081.db2.gz ZFIFUUJFOIOJEE-PASDCYSWSA-N 1 1 347.459 0.759 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCOC3(C[NH+](C[C@H]4CCCOC4)C3)C2)[nH]1 ZINC001053223720 765786750 /nfs/dbraw/zinc/78/67/50/765786750.db2.gz GCLLZTIWRCPITP-CQSZACIVSA-N 1 1 344.415 0.840 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)C[N@@H+]2CCC[C@H]2C)ccc1C#N ZINC001106109127 765872669 /nfs/dbraw/zinc/87/26/69/765872669.db2.gz UKYYYHYJWXKQST-DOMZBBRYSA-N 1 1 331.420 0.635 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)C2)cc1F ZINC001016185480 765881628 /nfs/dbraw/zinc/88/16/28/765881628.db2.gz SMJGWIKNPPUVPF-CQSZACIVSA-N 1 1 328.351 0.680 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cncn3)C2)cc1F ZINC001016185480 765881636 /nfs/dbraw/zinc/88/16/36/765881636.db2.gz SMJGWIKNPPUVPF-CQSZACIVSA-N 1 1 328.351 0.680 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cscn2)C1 ZINC000992204974 765888574 /nfs/dbraw/zinc/88/85/74/765888574.db2.gz AMZSSRIRJUGMFV-PIMMBPRGSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cscn2)C1 ZINC000992204974 765888579 /nfs/dbraw/zinc/88/85/79/765888579.db2.gz AMZSSRIRJUGMFV-PIMMBPRGSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccsn2)C1 ZINC000992204981 765888605 /nfs/dbraw/zinc/88/86/05/765888605.db2.gz AOGWYAMSLNOJIT-PIMMBPRGSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccsn2)C1 ZINC000992204981 765888610 /nfs/dbraw/zinc/88/86/10/765888610.db2.gz AOGWYAMSLNOJIT-PIMMBPRGSA-N 1 1 346.456 0.865 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CCO2 ZINC001053287219 765908901 /nfs/dbraw/zinc/90/89/01/765908901.db2.gz PHPKWCNPADVLLL-QGZVFWFLSA-N 1 1 349.475 0.729 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(CC=C(C)C)C2)C1 ZINC001053291436 765920320 /nfs/dbraw/zinc/92/03/20/765920320.db2.gz PIRUEEJLXKORKH-KRWDZBQOSA-N 1 1 331.460 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(CC=C(C)C)C2)C1 ZINC001053291436 765920326 /nfs/dbraw/zinc/92/03/26/765920326.db2.gz PIRUEEJLXKORKH-KRWDZBQOSA-N 1 1 331.460 0.963 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CCO2 ZINC001053304353 765939357 /nfs/dbraw/zinc/93/93/57/765939357.db2.gz HRYRFXBBLKEPTP-IAGOWNOFSA-N 1 1 331.460 0.940 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CCO2 ZINC001053393387 766074651 /nfs/dbraw/zinc/07/46/51/766074651.db2.gz LHJIQFWSUHNRPD-HNNXBMFYSA-N 1 1 330.432 0.853 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001016306151 766083434 /nfs/dbraw/zinc/08/34/34/766083434.db2.gz NNJGTXXRUICWIH-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001016306151 766083442 /nfs/dbraw/zinc/08/34/42/766083442.db2.gz NNJGTXXRUICWIH-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001016370320 766194852 /nfs/dbraw/zinc/19/48/52/766194852.db2.gz VNSWZORUFIHYSP-PIMMBPRGSA-N 1 1 329.404 0.700 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001016372472 766195331 /nfs/dbraw/zinc/19/53/31/766195331.db2.gz ZZEWYPQDUVNZRQ-UHFFFAOYSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCN1CC[C@]2(NC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@H]12 ZINC000992310888 766232207 /nfs/dbraw/zinc/23/22/07/766232207.db2.gz NDXUSNRLKPBXHS-FUHWJXTLSA-N 1 1 329.448 0.805 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H](C)C(N)=O)CC3)nn1 ZINC000992309470 766234417 /nfs/dbraw/zinc/23/44/17/766234417.db2.gz UVCGUHDFLVHISL-GHJWDPDVSA-N 1 1 332.408 0.065 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@@H](C)C(N)=O)CC3)nn1 ZINC000992309470 766234422 /nfs/dbraw/zinc/23/44/22/766234422.db2.gz UVCGUHDFLVHISL-GHJWDPDVSA-N 1 1 332.408 0.065 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@@H](C)C(=O)NC)CC3)nn1 ZINC000992312277 766243168 /nfs/dbraw/zinc/24/31/68/766243168.db2.gz ZWDKXLMOMOLTDT-QEORTHHSSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2ccccn2c1=O ZINC001017781707 768365239 /nfs/dbraw/zinc/36/52/39/768365239.db2.gz JCSQFJLKSSXSGB-GASCZTMLSA-N 1 1 341.415 0.747 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001017782951 768366035 /nfs/dbraw/zinc/36/60/35/768366035.db2.gz UJZOYNKDAOHNLD-BETUJISGSA-N 1 1 342.407 0.559 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106127338 766292429 /nfs/dbraw/zinc/29/24/29/766292429.db2.gz YFPSLFLOVANJLB-CQSZACIVSA-N 1 1 342.403 0.862 20 30 ECEDMO C=C(C)CCN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](CC)CCO1)CCO2 ZINC001053537374 766300621 /nfs/dbraw/zinc/30/06/21/766300621.db2.gz CMSKCRBLURAGLU-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CCN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CCO2 ZINC001053537374 766300628 /nfs/dbraw/zinc/30/06/28/766300628.db2.gz CMSKCRBLURAGLU-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001045785004 766367848 /nfs/dbraw/zinc/36/78/48/766367848.db2.gz IQINCJMXXYMQIL-HUUCEWRRSA-N 1 1 349.475 0.763 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cn(C[C@H]4CCOC4)nn3)CCC[C@H]12 ZINC000992356980 766370987 /nfs/dbraw/zinc/37/09/87/766370987.db2.gz AQEXNKTWKXYXFA-UWWQBHOKSA-N 1 1 343.431 0.675 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(C)nn3)C2)C1=O ZINC001031660017 766376414 /nfs/dbraw/zinc/37/64/14/766376414.db2.gz AJMCYBPCQLZVSI-HNNXBMFYSA-N 1 1 329.404 0.234 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001016528572 766441750 /nfs/dbraw/zinc/44/17/50/766441750.db2.gz MEMMRNOYRVKXFG-ZOODHJKOSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001016531821 766449112 /nfs/dbraw/zinc/44/91/12/766449112.db2.gz FOWLZTDMJUTSGM-IYXRBSQSSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(=O)n(C)c1)O2 ZINC001053622367 766461025 /nfs/dbraw/zinc/46/10/25/766461025.db2.gz VCJDGDRERCZZPI-HNNXBMFYSA-N 1 1 329.400 0.372 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@H+](CCS(C)(=O)=O)C2)C1 ZINC001045923985 766496789 /nfs/dbraw/zinc/49/67/89/766496789.db2.gz FQLPZOAWTYMKIO-ZBFHGGJFSA-N 1 1 341.477 0.895 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@@H+](CCS(C)(=O)=O)C2)C1 ZINC001045923985 766496790 /nfs/dbraw/zinc/49/67/90/766496790.db2.gz FQLPZOAWTYMKIO-ZBFHGGJFSA-N 1 1 341.477 0.895 20 30 ECEDMO Cn1cc(C[NH+]2CCC3(C[C@H]3NC(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC001016562253 766507786 /nfs/dbraw/zinc/50/77/86/766507786.db2.gz LGJHLZFMUSCECR-OAHLLOKOSA-N 1 1 339.403 0.799 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001045949019 766519480 /nfs/dbraw/zinc/51/94/80/766519480.db2.gz WRXHMDKPYZPHHQ-GOSISDBHSA-N 1 1 347.463 0.863 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCCNC1=O)C2 ZINC001045949442 766520105 /nfs/dbraw/zinc/52/01/05/766520105.db2.gz HAUCXIOWNIDUAU-SFHVURJKSA-N 1 1 332.448 0.740 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C(=O)N1)C2 ZINC001045955607 766525877 /nfs/dbraw/zinc/52/58/77/766525877.db2.gz IIKNYHUMVADFPF-CRAIPNDOSA-N 1 1 332.448 0.738 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC3(C[NH+](CCCO)C3)O2)c1 ZINC001053662470 766534560 /nfs/dbraw/zinc/53/45/60/766534560.db2.gz NTFYTZBIFJBSKY-INIZCTEOSA-N 1 1 329.400 0.409 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@@H]12 ZINC000992426578 766540837 /nfs/dbraw/zinc/54/08/37/766540837.db2.gz JWROPCLLWIQHSX-CXAGYDPISA-N 1 1 332.404 0.065 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001045974963 766544959 /nfs/dbraw/zinc/54/49/59/766544959.db2.gz RAGVEAIVDPXWKQ-SFHVURJKSA-N 1 1 346.431 0.266 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@@H]12 ZINC000992427565 766547444 /nfs/dbraw/zinc/54/74/44/766547444.db2.gz LOELNRKKHBIJTC-CXAGYDPISA-N 1 1 334.420 0.618 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@H]12 ZINC000992427561 766547638 /nfs/dbraw/zinc/54/76/38/766547638.db2.gz KUUHQDPPVLPWGV-GUYCJALGSA-N 1 1 340.387 0.168 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@@H]12 ZINC000992428571 766548697 /nfs/dbraw/zinc/54/86/97/766548697.db2.gz MQHDJUGVGUPCFM-CXAGYDPISA-N 1 1 332.404 0.065 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001045981951 766551626 /nfs/dbraw/zinc/55/16/26/766551626.db2.gz KDXNFJVYENXUMF-HKUYNNGSSA-N 1 1 347.459 0.572 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@]3(CCN(CC#N)C3)C2)C1 ZINC001045985721 766557785 /nfs/dbraw/zinc/55/77/85/766557785.db2.gz ATCLMOFEPCYSFI-AEFFLSMTSA-N 1 1 334.464 0.935 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@]3(CCN(CC#N)C3)C2)C1 ZINC001045985721 766557793 /nfs/dbraw/zinc/55/77/93/766557793.db2.gz ATCLMOFEPCYSFI-AEFFLSMTSA-N 1 1 334.464 0.935 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(CC)nn1C)O2 ZINC001053677672 766561477 /nfs/dbraw/zinc/56/14/77/766561477.db2.gz GKLYKAQUSOKGQT-HNNXBMFYSA-N 1 1 330.432 0.969 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@H]12 ZINC000992454910 766612604 /nfs/dbraw/zinc/61/26/04/766612604.db2.gz LISINFQIENAQBT-YOEHRIQHSA-N 1 1 331.420 0.027 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)n3cccn3)CC2)C1 ZINC001046006549 766616350 /nfs/dbraw/zinc/61/63/50/766616350.db2.gz OFWYBWXQXJNPFA-SJORKVTESA-N 1 1 329.448 0.686 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCn3cccn3)CC2)C1 ZINC001046006779 766616941 /nfs/dbraw/zinc/61/69/41/766616941.db2.gz TYUIFZQGCAPROP-KRWDZBQOSA-N 1 1 329.448 0.515 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc(OCC)cn1)O2 ZINC001053705282 766632069 /nfs/dbraw/zinc/63/20/69/766632069.db2.gz YYEHGWCSGPZWNU-CQSZACIVSA-N 1 1 344.415 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(F)F)C[C@]2(C)C1 ZINC000992463091 766640371 /nfs/dbraw/zinc/64/03/71/766640371.db2.gz GZLDAODOJWJPNE-IGCXYCKISA-N 1 1 339.386 0.656 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(F)F)C[C@]2(C)C1 ZINC000992463091 766640376 /nfs/dbraw/zinc/64/03/76/766640376.db2.gz GZLDAODOJWJPNE-IGCXYCKISA-N 1 1 339.386 0.656 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnn(C)c3)CC2)C1 ZINC001046012523 766640474 /nfs/dbraw/zinc/64/04/74/766640474.db2.gz PQNDRXVGYGBXIV-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO CCn1ccc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046013505 766642664 /nfs/dbraw/zinc/64/26/64/766642664.db2.gz ZKIIZDVGJBPSEC-RDJZCZTQSA-N 1 1 344.463 0.781 20 30 ECEDMO CCn1ccc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046013505 766642669 /nfs/dbraw/zinc/64/26/69/766642669.db2.gz ZKIIZDVGJBPSEC-RDJZCZTQSA-N 1 1 344.463 0.781 20 30 ECEDMO COC[C@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046020348 766661885 /nfs/dbraw/zinc/66/18/85/766661885.db2.gz QUQJMMKWEBFUCX-HOCLYGCPSA-N 1 1 345.447 0.753 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046022212 766668402 /nfs/dbraw/zinc/66/84/02/766668402.db2.gz PQHWFLQIFXMAQM-MRXNPFEDSA-N 1 1 325.416 0.742 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CN=NC3=O)CC2)C1 ZINC001046023450 766672240 /nfs/dbraw/zinc/67/22/40/766672240.db2.gz NJPOGTDTWPKINY-OAHLLOKOSA-N 1 1 348.451 0.168 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046026880 766684615 /nfs/dbraw/zinc/68/46/15/766684615.db2.gz GRFYUXMMTZRMBA-NVXWUHKLSA-N 1 1 346.475 0.095 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2occc2Cl)C1 ZINC000994750692 766687115 /nfs/dbraw/zinc/68/71/15/766687115.db2.gz BMKSCOGTUXPNGM-ZDUSSCGKSA-N 1 1 335.791 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2occc2Cl)C1 ZINC000994750692 766687120 /nfs/dbraw/zinc/68/71/20/766687120.db2.gz BMKSCOGTUXPNGM-ZDUSSCGKSA-N 1 1 335.791 0.971 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3nccc(C)n3)CC2)C1 ZINC001046027762 766687072 /nfs/dbraw/zinc/68/70/72/766687072.db2.gz OJCMLHYISCYJTQ-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)n(C)c2C)C1 ZINC000994750875 766687608 /nfs/dbraw/zinc/68/76/08/766687608.db2.gz DOFLAWPVZNEUSE-KRWDZBQOSA-N 1 1 342.443 0.680 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)n(C)c2C)C1 ZINC000994750875 766687615 /nfs/dbraw/zinc/68/76/15/766687615.db2.gz DOFLAWPVZNEUSE-KRWDZBQOSA-N 1 1 342.443 0.680 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4cn[nH]c43)CC2)C1 ZINC001046029943 766695265 /nfs/dbraw/zinc/69/52/65/766695265.db2.gz GJMVBSZJLFXDBI-IRXDYDNUSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4c[nH]nc43)CC2)C1 ZINC001046029943 766695272 /nfs/dbraw/zinc/69/52/72/766695272.db2.gz GJMVBSZJLFXDBI-IRXDYDNUSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4c[nH]nc43)CC2)C1 ZINC001046029943 766695277 /nfs/dbraw/zinc/69/52/77/766695277.db2.gz GJMVBSZJLFXDBI-IRXDYDNUSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2ccc[nH]2)C1 ZINC001016669758 766697373 /nfs/dbraw/zinc/69/73/73/766697373.db2.gz ARWBKCFJLJVMGB-JCYILVPMSA-N 1 1 342.443 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2ccc[nH]2)C1 ZINC001016669758 766697375 /nfs/dbraw/zinc/69/73/75/766697375.db2.gz ARWBKCFJLJVMGB-JCYILVPMSA-N 1 1 342.443 0.760 20 30 ECEDMO CCN(c1ccc(C#N)nc1)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089624455 766701946 /nfs/dbraw/zinc/70/19/46/766701946.db2.gz BVMYYKJVYBZRFK-CJNGLKHVSA-N 1 1 331.420 0.615 20 30 ECEDMO CCN(c1ccc(C#N)nc1)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089624455 766701951 /nfs/dbraw/zinc/70/19/51/766701951.db2.gz BVMYYKJVYBZRFK-CJNGLKHVSA-N 1 1 331.420 0.615 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)c3ccnn3C)CC2)C1 ZINC001046031715 766702297 /nfs/dbraw/zinc/70/22/97/766702297.db2.gz UNKQRYOZRYYALM-DLBZAZTESA-N 1 1 343.475 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H](C)n2cccc2)C1 ZINC000994752721 766703509 /nfs/dbraw/zinc/70/35/09/766703509.db2.gz UTAHUJZPKKDRQV-RDJZCZTQSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H](C)n2cccc2)C1 ZINC000994752721 766703515 /nfs/dbraw/zinc/70/35/15/766703515.db2.gz UTAHUJZPKKDRQV-RDJZCZTQSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C(F)F)CC2)C1 ZINC000994752773 766704290 /nfs/dbraw/zinc/70/42/90/766704290.db2.gz VLDZKQVEHLQBRX-LBPRGKRZSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C(F)F)CC2)C1 ZINC000994752773 766704300 /nfs/dbraw/zinc/70/43/00/766704300.db2.gz VLDZKQVEHLQBRX-LBPRGKRZSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CCC(F)CC2)C1 ZINC000994754410 766706465 /nfs/dbraw/zinc/70/64/65/766706465.db2.gz LIUDZDBWEXQGSI-XUJLQICISA-N 1 1 335.423 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CCC(F)CC2)C1 ZINC000994754410 766706467 /nfs/dbraw/zinc/70/64/67/766706467.db2.gz LIUDZDBWEXQGSI-XUJLQICISA-N 1 1 335.423 0.939 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2conc2CC)C1 ZINC000994755020 766709381 /nfs/dbraw/zinc/70/93/81/766709381.db2.gz PMKLFPNGZPFEOP-HNNXBMFYSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2conc2CC)C1 ZINC000994755020 766709387 /nfs/dbraw/zinc/70/93/87/766709387.db2.gz PMKLFPNGZPFEOP-HNNXBMFYSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2csc(C)n2)C1 ZINC000994753507 766711255 /nfs/dbraw/zinc/71/12/55/766711255.db2.gz HLGFQBRMRMPOIU-AWEZNQCLSA-N 1 1 332.429 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2csc(C)n2)C1 ZINC000994753507 766711260 /nfs/dbraw/zinc/71/12/60/766711260.db2.gz HLGFQBRMRMPOIU-AWEZNQCLSA-N 1 1 332.429 0.490 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046034413 766714639 /nfs/dbraw/zinc/71/46/39/766714639.db2.gz VDFIHKLECLEKDU-DLBZAZTESA-N 1 1 333.480 0.603 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 ZINC001046034672 766715941 /nfs/dbraw/zinc/71/59/41/766715941.db2.gz XFKMTMCIHKPLOE-INIZCTEOSA-N 1 1 329.448 0.847 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 ZINC001046034674 766716095 /nfs/dbraw/zinc/71/60/95/766716095.db2.gz XFKMTMCIHKPLOE-MRXNPFEDSA-N 1 1 329.448 0.847 20 30 ECEDMO N#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001046035548 766721084 /nfs/dbraw/zinc/72/10/84/766721084.db2.gz OUVSTZWBDIALOW-HZPDHXFCSA-N 1 1 342.447 0.503 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4n3CCC4)CC2)C1 ZINC001046036369 766727340 /nfs/dbraw/zinc/72/73/40/766727340.db2.gz IFGSNUAERFGYGY-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2c(C)noc2C)C1 ZINC000994756718 766730433 /nfs/dbraw/zinc/73/04/33/766730433.db2.gz YLPZPGYZFXMGPQ-INIZCTEOSA-N 1 1 344.415 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2c(C)noc2C)C1 ZINC000994756718 766730438 /nfs/dbraw/zinc/73/04/38/766730438.db2.gz YLPZPGYZFXMGPQ-INIZCTEOSA-N 1 1 344.415 0.259 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046037032 766730998 /nfs/dbraw/zinc/73/09/98/766730998.db2.gz JSWKRTZMUSCWLC-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046037035 766731075 /nfs/dbraw/zinc/73/10/75/766731075.db2.gz JSWKRTZMUSCWLC-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC001046037619 766735140 /nfs/dbraw/zinc/73/51/40/766735140.db2.gz UXGIRRGHLFOJNS-MRXNPFEDSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OCC)n[nH]3)CC2)C1 ZINC001046039827 766743839 /nfs/dbraw/zinc/74/38/39/766743839.db2.gz YYPBSSJRXYKLQD-AWEZNQCLSA-N 1 1 333.436 0.827 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046040673 766748169 /nfs/dbraw/zinc/74/81/69/766748169.db2.gz HFOUEZJUCLCRIO-ROUUACIJSA-N 1 1 347.507 0.849 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCCN3C)CC2)C1 ZINC001046041978 766753776 /nfs/dbraw/zinc/75/37/76/766753776.db2.gz VWZFJESPGWMVKQ-MSOLQXFVSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCCN3C)CC2)C1 ZINC001046041978 766753777 /nfs/dbraw/zinc/75/37/77/766753777.db2.gz VWZFJESPGWMVKQ-MSOLQXFVSA-N 1 1 332.492 0.713 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046042760 766757553 /nfs/dbraw/zinc/75/75/53/766757553.db2.gz MNSMLGYPAPAHIZ-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cccc4ncnn43)CC2)C1 ZINC001046042687 766757622 /nfs/dbraw/zinc/75/76/22/766757622.db2.gz ZVIBILFWCIMLBX-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC001046043105 766759187 /nfs/dbraw/zinc/75/91/87/766759187.db2.gz VSLYPMLKPJYIHS-KRWDZBQOSA-N 1 1 344.459 0.794 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098779486 766762007 /nfs/dbraw/zinc/76/20/07/766762007.db2.gz HNWGKGCCJIUMLU-INIZCTEOSA-N 1 1 330.436 0.260 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)[nH]c(=O)c3)CC2)C1 ZINC001046043989 766764773 /nfs/dbraw/zinc/76/47/73/766764773.db2.gz GTHDOQQQYQRXLI-KRWDZBQOSA-N 1 1 342.443 0.815 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(OC)nc3)CC2)C1 ZINC001046045349 766770680 /nfs/dbraw/zinc/77/06/80/766770680.db2.gz WVZQNVJPWVJIPL-INIZCTEOSA-N 1 1 328.416 0.556 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)c(=O)cn3)CC2)C1 ZINC001046045259 766770763 /nfs/dbraw/zinc/77/07/63/766770763.db2.gz FSWYXAMXOWWGBV-OAHLLOKOSA-N 1 1 345.447 0.189 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC001046047379 766777746 /nfs/dbraw/zinc/77/77/46/766777746.db2.gz NYZYOJKMTHTPSP-YJBOKZPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC001046048100 766780126 /nfs/dbraw/zinc/78/01/26/766780126.db2.gz PSWKMCOQRWQHFE-QGZVFWFLSA-N 1 1 344.463 0.082 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)c3cncnc3)CC2)C1 ZINC001046054267 766798750 /nfs/dbraw/zinc/79/87/50/766798750.db2.gz KFTHURFUUBNVQU-SJLPKXTDSA-N 1 1 341.459 0.822 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ncccc3OC)CC2)C1 ZINC001046054278 766799247 /nfs/dbraw/zinc/79/92/47/766799247.db2.gz KKZWFHSNDKMTJZ-INIZCTEOSA-N 1 1 342.443 0.484 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046056063 766807498 /nfs/dbraw/zinc/80/74/98/766807498.db2.gz NTTHBHXFAJDNMY-QFBILLFUSA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nnn(CC)c3CC)CC2)C1 ZINC001046061288 766830181 /nfs/dbraw/zinc/83/01/81/766830181.db2.gz LANBLNAXKOWROO-HNNXBMFYSA-N 1 1 346.479 0.879 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Oc3cccnc3)CC2)C1 ZINC001046062534 766835603 /nfs/dbraw/zinc/83/56/03/766835603.db2.gz WBVIPEOIVUAPMA-SJORKVTESA-N 1 1 342.443 0.701 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001016751118 766844218 /nfs/dbraw/zinc/84/42/18/766844218.db2.gz KIFBNBSKOIFAQO-FJBKBRRZSA-N 1 1 346.431 0.888 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC001046065736 766849998 /nfs/dbraw/zinc/84/99/98/766849998.db2.gz DBLNEGNUYRUMDW-INIZCTEOSA-N 1 1 349.866 0.778 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nn(C)c3OC)CC2)C1 ZINC001046067184 766856954 /nfs/dbraw/zinc/85/69/54/766856954.db2.gz UHOKSXFUVVNHMN-HNNXBMFYSA-N 1 1 345.447 0.202 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3nccc3C)CC2)C1 ZINC001046069034 766866364 /nfs/dbraw/zinc/86/63/64/766866364.db2.gz AWCVDQHOFNAJHG-QGZVFWFLSA-N 1 1 331.464 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3csc4cncn43)CC2)C1 ZINC001046069417 766867625 /nfs/dbraw/zinc/86/76/25/766867625.db2.gz FURIWPRAQCFUHU-CQSZACIVSA-N 1 1 343.456 0.861 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccc(C)cc3=O)CC2)C1 ZINC001046069415 766868525 /nfs/dbraw/zinc/86/85/25/766868525.db2.gz FUMKWTNBNHQQKJ-QGZVFWFLSA-N 1 1 342.443 0.008 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070181 766871308 /nfs/dbraw/zinc/87/13/08/766871308.db2.gz PSXWUPWIXQBVAV-CYBMUJFWSA-N 1 1 338.843 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070181 766871319 /nfs/dbraw/zinc/87/13/19/766871319.db2.gz PSXWUPWIXQBVAV-CYBMUJFWSA-N 1 1 338.843 0.400 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)n[nH]c3C)CC2)C1 ZINC001046070807 766876529 /nfs/dbraw/zinc/87/65/29/766876529.db2.gz CBNQORWOMADZJO-MRXNPFEDSA-N 1 1 329.448 0.882 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)COc3cccnc3)CC2)C1 ZINC001046072061 766879472 /nfs/dbraw/zinc/87/94/72/766879472.db2.gz QKWVKRSUGJQXCG-INIZCTEOSA-N 1 1 330.432 0.865 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3coc(COC)n3)CC2)C1 ZINC001046075676 766896626 /nfs/dbraw/zinc/89/66/26/766896626.db2.gz WQMGPJGHFNMODG-OAHLLOKOSA-N 1 1 346.431 0.676 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(OC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000994821992 766897313 /nfs/dbraw/zinc/89/73/13/766897313.db2.gz LUTMHNDFOMRHCG-UONOGXRCSA-N 1 1 348.447 0.316 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)CC2)C1 ZINC001046075909 766899426 /nfs/dbraw/zinc/89/94/26/766899426.db2.gz IDQDWDVRCVUULS-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H](C)N3CCCC3=O)CC2)C1 ZINC001046076267 766902437 /nfs/dbraw/zinc/90/24/37/766902437.db2.gz LGNYQAHKDPTARH-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC001046077543 766907850 /nfs/dbraw/zinc/90/78/50/766907850.db2.gz BFBWVXXYXIHFFR-MRXNPFEDSA-N 1 1 342.443 0.241 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](CC#CC)C3)CC2)nc1 ZINC001046078484 766910628 /nfs/dbraw/zinc/91/06/28/766910628.db2.gz YVYHYLXQCYLPAE-GOSISDBHSA-N 1 1 336.439 0.918 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046079659 766913865 /nfs/dbraw/zinc/91/38/65/766913865.db2.gz YZMBRWKAVNUBRU-OAHLLOKOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001046079659 766913872 /nfs/dbraw/zinc/91/38/72/766913872.db2.gz YZMBRWKAVNUBRU-OAHLLOKOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001046079659 766913880 /nfs/dbraw/zinc/91/38/80/766913880.db2.gz YZMBRWKAVNUBRU-OAHLLOKOSA-N 1 1 332.452 0.532 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC001046079706 766914499 /nfs/dbraw/zinc/91/44/99/766914499.db2.gz ZUXWJBMRKYCBFP-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC001046085059 766926149 /nfs/dbraw/zinc/92/61/49/766926149.db2.gz DLXARPZWAZNLPQ-RDJZCZTQSA-N 1 1 343.475 0.919 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046086540 766928450 /nfs/dbraw/zinc/92/84/50/766928450.db2.gz WIJAOHJCMNGURX-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnccn3)C2)C1=O ZINC001046113333 766941271 /nfs/dbraw/zinc/94/12/71/766941271.db2.gz FKKIDRYUXFPZMI-RHSMWYFYSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnccn3)C2)C1=O ZINC001046113333 766941275 /nfs/dbraw/zinc/94/12/75/766941275.db2.gz FKKIDRYUXFPZMI-RHSMWYFYSA-N 1 1 329.404 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(C/C=C\Cl)C2)C1 ZINC001053832412 766969566 /nfs/dbraw/zinc/96/95/66/766969566.db2.gz KAZCHTZVUSGHLD-SNPDBEFISA-N 1 1 337.851 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(C/C=C\Cl)C2)C1 ZINC001053832412 766969572 /nfs/dbraw/zinc/96/95/72/766969572.db2.gz KAZCHTZVUSGHLD-SNPDBEFISA-N 1 1 337.851 0.796 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 ZINC001078266887 782592503 /nfs/dbraw/zinc/59/25/03/782592503.db2.gz JBYDUZKSNXDCMO-FVQBIDKESA-N 1 1 327.384 0.297 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 ZINC001078266887 782592511 /nfs/dbraw/zinc/59/25/11/782592511.db2.gz JBYDUZKSNXDCMO-FVQBIDKESA-N 1 1 327.384 0.297 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nn(CC)nc2C)C1 ZINC001031740691 766985648 /nfs/dbraw/zinc/98/56/48/766985648.db2.gz IRVOFAMJBWFZHG-KRWDZBQOSA-N 1 1 344.463 0.252 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nn(CC)nc2C)C1 ZINC001031740691 766985652 /nfs/dbraw/zinc/98/56/52/766985652.db2.gz IRVOFAMJBWFZHG-KRWDZBQOSA-N 1 1 344.463 0.252 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CCCCC1=O)CO2 ZINC001053856284 767036903 /nfs/dbraw/zinc/03/69/03/767036903.db2.gz GWSBZIJALXWMKY-OAHLLOKOSA-N 1 1 335.448 0.925 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2O)c1 ZINC001083765414 767065838 /nfs/dbraw/zinc/06/58/38/767065838.db2.gz CFFXWLCRJFZPPA-ZACQAIPSSA-N 1 1 329.400 0.407 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3n[nH]nc31)CO2 ZINC001053867848 767079046 /nfs/dbraw/zinc/07/90/46/767079046.db2.gz UTEYBNYATOBYCG-NSHDSACASA-N 1 1 328.376 0.502 20 30 ECEDMO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001046220066 767087931 /nfs/dbraw/zinc/08/79/31/767087931.db2.gz HGZPWKXZGFROGD-PBHICJAKSA-N 1 1 342.403 0.338 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001046222526 767090862 /nfs/dbraw/zinc/09/08/62/767090862.db2.gz BLARWJWMXYLILH-KRWDZBQOSA-N 1 1 341.419 0.989 20 30 ECEDMO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001046224627 767092943 /nfs/dbraw/zinc/09/29/43/767092943.db2.gz SVXXKXWSFVAQJE-FZKQIMNGSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](OC)C1 ZINC001212278975 767104572 /nfs/dbraw/zinc/10/45/72/767104572.db2.gz AWDQKAVFFLDHDD-HUUCEWRRSA-N 1 1 349.435 0.174 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](OC)C1 ZINC001212278975 767104574 /nfs/dbraw/zinc/10/45/74/767104574.db2.gz AWDQKAVFFLDHDD-HUUCEWRRSA-N 1 1 349.435 0.174 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(C)on2)C1 ZINC000938755828 767106401 /nfs/dbraw/zinc/10/64/01/767106401.db2.gz AAFIQIXTZFHPDO-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(C)on2)C1 ZINC000938755828 767106403 /nfs/dbraw/zinc/10/64/03/767106403.db2.gz AAFIQIXTZFHPDO-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC000938755855 767106493 /nfs/dbraw/zinc/10/64/93/767106493.db2.gz ASZJTDLGMYKQDJ-JYJNAYRXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC000938755855 767106496 /nfs/dbraw/zinc/10/64/96/767106496.db2.gz ASZJTDLGMYKQDJ-JYJNAYRXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccncc2)C1 ZINC000938756537 767107240 /nfs/dbraw/zinc/10/72/40/767107240.db2.gz REAFWGSKKACKNU-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccncc2)C1 ZINC000938756537 767107245 /nfs/dbraw/zinc/10/72/45/767107245.db2.gz REAFWGSKKACKNU-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046249178 767108665 /nfs/dbraw/zinc/10/86/65/767108665.db2.gz WBQXQBSLPAVEQO-KRWDZBQOSA-N 1 1 329.404 0.703 20 30 ECEDMO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001089713160 767110682 /nfs/dbraw/zinc/11/06/82/767110682.db2.gz XFPFIITXFSBJOD-CYBMUJFWSA-N 1 1 327.392 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cncnc3)C2)C1=O ZINC001046260548 767115864 /nfs/dbraw/zinc/11/58/64/767115864.db2.gz MDCXCBZDWBQGGX-WMLDXEAASA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cncnc3)C2)C1=O ZINC001046260548 767115865 /nfs/dbraw/zinc/11/58/65/767115865.db2.gz MDCXCBZDWBQGGX-WMLDXEAASA-N 1 1 329.404 0.458 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000938821740 767121327 /nfs/dbraw/zinc/12/13/27/767121327.db2.gz UNGSWFVDGHOJOI-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001042017122 782605153 /nfs/dbraw/zinc/60/51/53/782605153.db2.gz AZJXIBQBZYDNLO-SWLSCSKDSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001089731157 767134026 /nfs/dbraw/zinc/13/40/26/767134026.db2.gz CMLZTPPGPMSRNR-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cncn3)c2)[C@@H](O)C1 ZINC001083766202 767136727 /nfs/dbraw/zinc/13/67/27/767136727.db2.gz RDZKFHOCLJSIMK-CVEARBPZSA-N 1 1 325.372 0.066 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046321234 767146851 /nfs/dbraw/zinc/14/68/51/767146851.db2.gz OCPYJKBIRHXGJG-GUYCJALGSA-N 1 1 331.420 0.919 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C#N)[nH]1 ZINC001089797250 767221736 /nfs/dbraw/zinc/22/17/36/767221736.db2.gz LDHKTALHLUCQQN-ZIEJDFEHSA-N 1 1 341.415 0.415 20 30 ECEDMO O=C(C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1)NC1CC1 ZINC001089805245 767233430 /nfs/dbraw/zinc/23/34/30/767233430.db2.gz DNPRAAMBJZHLEB-RANZSIQMSA-N 1 1 341.455 0.847 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001046520862 767276207 /nfs/dbraw/zinc/27/62/07/767276207.db2.gz HLKJKBGPXAWJRP-OAHLLOKOSA-N 1 1 330.396 0.464 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncnn1 ZINC001089817546 767290363 /nfs/dbraw/zinc/29/03/63/767290363.db2.gz SOVQVSMIBGHTEJ-JJXSEGSLSA-N 1 1 330.436 0.808 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCOCC2=O)C1 ZINC001089820954 767319340 /nfs/dbraw/zinc/31/93/40/767319340.db2.gz PYFMDRHDIDYAGY-QAETUUGQSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1 ZINC001078285887 782615936 /nfs/dbraw/zinc/61/59/36/782615936.db2.gz KNZKXOMNBTWKQT-GDBMZVCRSA-N 1 1 327.388 0.618 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908049 767326991 /nfs/dbraw/zinc/32/69/91/767326991.db2.gz JMJYIMATBFTATH-CVEARBPZSA-N 1 1 342.443 0.737 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCc3nn[nH]c31)CO2 ZINC001053908190 767327217 /nfs/dbraw/zinc/32/72/17/767327217.db2.gz MEXPUBAMDPJEDJ-STQMWFEESA-N 1 1 331.420 0.760 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCc3nn[nH]c31)CO2 ZINC001053908189 767327604 /nfs/dbraw/zinc/32/76/04/767327604.db2.gz MEXPUBAMDPJEDJ-QWHCGFSZSA-N 1 1 331.420 0.760 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CS(=O)(=O)C1 ZINC001089827903 767361376 /nfs/dbraw/zinc/36/13/76/767361376.db2.gz PVFIWEYDIOXQMO-JONQDZQNSA-N 1 1 338.473 0.776 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1OC ZINC001212345052 767361888 /nfs/dbraw/zinc/36/18/88/767361888.db2.gz YPJQEHOALAWGBP-BZUAXINKSA-N 1 1 336.436 0.416 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001106151815 767382641 /nfs/dbraw/zinc/38/26/41/767382641.db2.gz SZQXMVSLBHBOMF-DZKIICNBSA-N 1 1 334.420 0.964 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001106152982 767385511 /nfs/dbraw/zinc/38/55/11/767385511.db2.gz MTRRQFDHHCJYAF-VHDGCEQUSA-N 1 1 331.420 0.491 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)c(C(N)=O)cn1)CO2 ZINC001053929523 767388931 /nfs/dbraw/zinc/38/89/31/767388931.db2.gz BPJQZUFPMGILQA-ZDUSSCGKSA-N 1 1 344.415 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(CC)ns1 ZINC001106155289 767393625 /nfs/dbraw/zinc/39/36/25/767393625.db2.gz XRZCLOMOMSBNJT-RYUDHWBXSA-N 1 1 337.449 0.087 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(CC)ns1 ZINC001106155289 767393636 /nfs/dbraw/zinc/39/36/36/767393636.db2.gz XRZCLOMOMSBNJT-RYUDHWBXSA-N 1 1 337.449 0.087 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)Cn2c[nH+]cc2C)c1 ZINC001078288503 782620942 /nfs/dbraw/zinc/62/09/42/782620942.db2.gz DHGSSYBPYWTHPA-ZDUSSCGKSA-N 1 1 339.399 0.893 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001106157981 767423136 /nfs/dbraw/zinc/42/31/36/767423136.db2.gz MYISKEJFOHULBJ-STQMWFEESA-N 1 1 332.408 0.112 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)CO2 ZINC001053948812 767430329 /nfs/dbraw/zinc/43/03/29/767430329.db2.gz RJIIDKLTUQIEGN-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)nn1 ZINC001053949694 767433119 /nfs/dbraw/zinc/43/31/19/767433119.db2.gz NXKOSDGQWDQTJB-KBPBESRZSA-N 1 1 347.419 0.074 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001046695368 767499086 /nfs/dbraw/zinc/49/90/86/767499086.db2.gz FGYZBDHOCQJJGY-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)CCN(C(C)=O)C1)CO2 ZINC001053977237 767511673 /nfs/dbraw/zinc/51/16/73/767511673.db2.gz PSEJNXWKEKTYHN-DOTOQJQBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1nc3ncccn3n1)CO2 ZINC001054007238 767579290 /nfs/dbraw/zinc/57/92/90/767579290.db2.gz BJJWJLXBYLLKSL-ZDUSSCGKSA-N 1 1 342.403 0.202 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@@H]1CCCNC1=O ZINC001017106658 767595325 /nfs/dbraw/zinc/59/53/25/767595325.db2.gz JSRQWVUDHLNFOM-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO Cn1cc(C[N@H+](C)C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001017110150 767603816 /nfs/dbraw/zinc/60/38/16/767603816.db2.gz XSYRQQSLSRRZKR-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001017110150 767603823 /nfs/dbraw/zinc/60/38/23/767603823.db2.gz XSYRQQSLSRRZKR-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc3nsnc32)C1 ZINC001078300357 782638855 /nfs/dbraw/zinc/63/88/55/782638855.db2.gz RRVPUYIGOILCQQ-ZIAGYGMSSA-N 1 1 330.413 0.418 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(N)=O)cn1)CO2 ZINC001054023244 767620311 /nfs/dbraw/zinc/62/03/11/767620311.db2.gz WNWQBWZIVIRKPT-AWEZNQCLSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cn(C)cn3)C2)C1=O ZINC001007128747 767643178 /nfs/dbraw/zinc/64/31/78/767643178.db2.gz MITSGSPADQQCLX-ZFWWWQNUSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cn(C)cn3)C2)C1=O ZINC001007128747 767643183 /nfs/dbraw/zinc/64/31/83/767643183.db2.gz MITSGSPADQQCLX-ZFWWWQNUSA-N 1 1 331.420 0.401 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CN(C)Cc2cnon2)C1 ZINC001017147605 767652569 /nfs/dbraw/zinc/65/25/69/767652569.db2.gz ATNXQZZWPWLVTH-WBVHZDCISA-N 1 1 345.447 0.838 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CN(C)Cc2cnon2)C1 ZINC001017147605 767652573 /nfs/dbraw/zinc/65/25/73/767652573.db2.gz ATNXQZZWPWLVTH-WBVHZDCISA-N 1 1 345.447 0.838 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)COC)C[C@H]2C(F)(F)F)C1=O ZINC001099191714 767656519 /nfs/dbraw/zinc/65/65/19/767656519.db2.gz IEKPABITSBERAW-GRYCIOLGSA-N 1 1 349.353 0.399 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001060476515 767689488 /nfs/dbraw/zinc/68/94/88/767689488.db2.gz XFQHBBSTWKWUPX-CKTDYHTKSA-N 1 1 326.404 0.097 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001054112010 767701592 /nfs/dbraw/zinc/70/15/92/767701592.db2.gz HEYWJTQYYXGILS-GOSISDBHSA-N 1 1 343.431 0.903 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)[nH]1 ZINC001054115568 767703194 /nfs/dbraw/zinc/70/31/94/767703194.db2.gz BBRHTCDFVKDBBZ-CRAIPNDOSA-N 1 1 341.415 0.703 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054160511 767758176 /nfs/dbraw/zinc/75/81/76/767758176.db2.gz HPRGVZJUGUVYRP-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3nnnn3CC1)C2 ZINC001054201961 767799190 /nfs/dbraw/zinc/79/91/90/767799190.db2.gz UGGDANKJDRMZNU-QAPCUYQASA-N 1 1 342.447 0.573 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@]3(CC[N@H+](C[C@H](C)O)C3)C2)nn1 ZINC001054210129 767806544 /nfs/dbraw/zinc/80/65/44/767806544.db2.gz GPNBOJBJMBXXRF-YOEHRIQHSA-N 1 1 333.436 0.773 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001054228422 767837219 /nfs/dbraw/zinc/83/72/19/767837219.db2.gz ZKDFOWAVQQBWFA-GOSISDBHSA-N 1 1 348.447 0.771 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CCN(C(N)=O)CC1)C2 ZINC001054238083 767848561 /nfs/dbraw/zinc/84/85/61/767848561.db2.gz LEPYNNIULJPDKV-GOSISDBHSA-N 1 1 332.448 0.725 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nccnc1C(N)=O)C2 ZINC001054238340 767849051 /nfs/dbraw/zinc/84/90/51/767849051.db2.gz RAVRUXWTDMQTPM-GOSISDBHSA-N 1 1 341.415 0.527 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001106642252 768546047 /nfs/dbraw/zinc/54/60/47/768546047.db2.gz KYQBEQYLNRFADK-UXIGCNINSA-N 1 1 346.435 0.683 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001106642252 768546049 /nfs/dbraw/zinc/54/60/49/768546049.db2.gz KYQBEQYLNRFADK-UXIGCNINSA-N 1 1 346.435 0.683 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@]2(C)C1 ZINC000993215879 768546490 /nfs/dbraw/zinc/54/64/90/768546490.db2.gz LEQMTXYLUBTGLP-VCBZYWHSSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@]2(C)C1 ZINC000993215879 768546493 /nfs/dbraw/zinc/54/64/93/768546493.db2.gz LEQMTXYLUBTGLP-VCBZYWHSSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3ccnc3)C2)nn1 ZINC001098789387 768572629 /nfs/dbraw/zinc/57/26/29/768572629.db2.gz CHAWLEZBFGBYDP-HNNXBMFYSA-N 1 1 329.408 0.614 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CCN1CCNC1=O ZINC000993236403 768629868 /nfs/dbraw/zinc/62/98/68/768629868.db2.gz PWTKHFBJCSDDOG-TZMCWYRMSA-N 1 1 344.419 0.494 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)C1 ZINC001055197318 768658145 /nfs/dbraw/zinc/65/81/45/768658145.db2.gz VUVRHPOBAAKEPF-UKMLZYKCSA-N 1 1 340.431 0.916 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(n2cnnn2)CCOCC1 ZINC001018049034 768659631 /nfs/dbraw/zinc/65/96/31/768659631.db2.gz QEQRSYXJEZDZLF-OKILXGFUSA-N 1 1 332.408 0.040 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(n2cnnn2)CCOCC1 ZINC001018049034 768659633 /nfs/dbraw/zinc/65/96/33/768659633.db2.gz QEQRSYXJEZDZLF-OKILXGFUSA-N 1 1 332.408 0.040 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@H]21 ZINC001042053345 782685139 /nfs/dbraw/zinc/68/51/39/782685139.db2.gz YSSZXJZHFDAPST-GDBMZVCRSA-N 1 1 331.420 0.484 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001055250734 768709753 /nfs/dbraw/zinc/70/97/53/768709753.db2.gz KXYKNTSYYZOXON-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001055251811 768711310 /nfs/dbraw/zinc/71/13/10/768711310.db2.gz KOPRHARBMBMCNX-JTOWHCCKSA-N 1 1 335.448 0.325 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001055251944 768711359 /nfs/dbraw/zinc/71/13/59/768711359.db2.gz ORZWZZYSBJEKFQ-CAOSSQGBSA-N 1 1 335.448 0.589 20 30 ECEDMO C#CCNC(=O)CC(=O)N(CC)CCNc1cc(CC)[nH+]c(C)n1 ZINC001106730322 768758453 /nfs/dbraw/zinc/75/84/53/768758453.db2.gz RXEQYRZUQSKIDG-UHFFFAOYSA-N 1 1 331.420 0.747 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-n2cncn2)n1 ZINC001018122638 768760751 /nfs/dbraw/zinc/76/07/51/768760751.db2.gz SMEHAGZFPSOCCM-GASCZTMLSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-n2cncn2)n1 ZINC001018122638 768760756 /nfs/dbraw/zinc/76/07/56/768760756.db2.gz SMEHAGZFPSOCCM-GASCZTMLSA-N 1 1 336.399 0.974 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001055313474 768769273 /nfs/dbraw/zinc/76/92/73/768769273.db2.gz RUVCRLJSVWADHD-BSXFFOKHSA-N 1 1 335.448 0.182 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001055338261 768794175 /nfs/dbraw/zinc/79/41/75/768794175.db2.gz QJDGHQVRNCWBNC-YESZJQIVSA-N 1 1 347.459 0.285 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001055345627 768804695 /nfs/dbraw/zinc/80/46/95/768804695.db2.gz OJFUQUXWZSFGDX-BMFZPTHFSA-N 1 1 346.431 0.699 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993343790 768815325 /nfs/dbraw/zinc/81/53/25/768815325.db2.gz CGGZSHKQUYUBNS-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001055378415 768833658 /nfs/dbraw/zinc/83/36/58/768833658.db2.gz IRPWKYVPIHWECP-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001055379773 768837034 /nfs/dbraw/zinc/83/70/34/768837034.db2.gz RQOFCTLWQJXJCC-NXOAAHMSSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H]1C ZINC000993371947 768902459 /nfs/dbraw/zinc/90/24/59/768902459.db2.gz ZEAHWMNDKNLLAB-KGLIPLIRSA-N 1 1 332.452 0.963 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001106773166 768912948 /nfs/dbraw/zinc/91/29/48/768912948.db2.gz JYHCXHXSPXLATO-CQSZACIVSA-N 1 1 332.408 0.329 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001106773166 768912955 /nfs/dbraw/zinc/91/29/55/768912955.db2.gz JYHCXHXSPXLATO-CQSZACIVSA-N 1 1 332.408 0.329 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(C)(C)F)CC1 ZINC001055494471 768937306 /nfs/dbraw/zinc/93/73/06/768937306.db2.gz LGDDVNLZVNZHLX-ZDUSSCGKSA-N 1 1 341.427 0.470 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C[C@@H]21 ZINC001042067527 782709165 /nfs/dbraw/zinc/70/91/65/782709165.db2.gz QRQGMKBXVAYPOS-KGLIPLIRSA-N 1 1 346.435 0.266 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(c1cncc(C#N)n1)C2 ZINC001055509985 768975982 /nfs/dbraw/zinc/97/59/82/768975982.db2.gz QPQCHIXYBJQUBT-YEWWUXTCSA-N 1 1 340.431 0.918 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C ZINC000993415220 769000234 /nfs/dbraw/zinc/00/02/34/769000234.db2.gz OMEKRSLQDIMLNJ-KBPBESRZSA-N 1 1 334.420 0.092 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(c2ccnc(C#N)n2)C3)C1 ZINC001055534536 769039521 /nfs/dbraw/zinc/03/95/21/769039521.db2.gz DIEKQQSVEHDUPE-GLJUWKHASA-N 1 1 340.431 0.775 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001055539992 769059394 /nfs/dbraw/zinc/05/93/94/769059394.db2.gz GACHKSWHGULKDR-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC001055539992 769059404 /nfs/dbraw/zinc/05/94/04/769059404.db2.gz GACHKSWHGULKDR-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(-n2cncn2)c1 ZINC001018338353 769130362 /nfs/dbraw/zinc/13/03/62/769130362.db2.gz UDIFCRZWDPPDAW-IYBDPMFKSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(-n2cncn2)c1 ZINC001018338353 769130368 /nfs/dbraw/zinc/13/03/68/769130368.db2.gz UDIFCRZWDPPDAW-IYBDPMFKSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CCCCC(=O)NCCN1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055567914 769135909 /nfs/dbraw/zinc/13/59/09/769135909.db2.gz SXMHPZFXQIAWQB-UHFFFAOYSA-N 1 1 348.491 0.583 20 30 ECEDMO CC(C)C#CC(=O)NCCN1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055572295 769148308 /nfs/dbraw/zinc/14/83/08/769148308.db2.gz BXVHCIFCMNJOHK-QGZVFWFLSA-N 1 1 348.491 0.437 20 30 ECEDMO CC(C)C#CC(=O)NCCN1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055572295 769148312 /nfs/dbraw/zinc/14/83/12/769148312.db2.gz BXVHCIFCMNJOHK-QGZVFWFLSA-N 1 1 348.491 0.437 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2n[nH]cc2F)CC1 ZINC001055575434 769162046 /nfs/dbraw/zinc/16/20/46/769162046.db2.gz VOHPZCDSDMWJHP-UHFFFAOYSA-N 1 1 347.394 0.273 20 30 ECEDMO CC[NH+](CC)CC(=O)NCCN1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055580159 769177573 /nfs/dbraw/zinc/17/75/73/769177573.db2.gz XJPNVKJSXOQBMA-CQSZACIVSA-N 1 1 337.468 0.185 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C(F)F)C2)CC1 ZINC001018359486 769189686 /nfs/dbraw/zinc/18/96/86/769189686.db2.gz HNZPROMKZNWOAB-ZDUSSCGKSA-N 1 1 327.375 0.658 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2cnn(C)n2)CC1 ZINC001055600206 769226657 /nfs/dbraw/zinc/22/66/57/769226657.db2.gz NLRQIJXNQBEYJK-UHFFFAOYSA-N 1 1 334.424 0.092 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055606213 769241006 /nfs/dbraw/zinc/24/10/06/769241006.db2.gz BZGZIPXMLUTUFB-CQSZACIVSA-N 1 1 337.468 0.185 20 30 ECEDMO CCC[N@H+](C)CC(=O)NCCN1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055606213 769241009 /nfs/dbraw/zinc/24/10/09/769241009.db2.gz BZGZIPXMLUTUFB-CQSZACIVSA-N 1 1 337.468 0.185 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCCN1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055606213 769241011 /nfs/dbraw/zinc/24/10/11/769241011.db2.gz BZGZIPXMLUTUFB-CQSZACIVSA-N 1 1 337.468 0.185 20 30 ECEDMO Cc1nn[nH]c1C(=O)NCC[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC001055606775 769243843 /nfs/dbraw/zinc/24/38/43/769243843.db2.gz LMFMDOWQQYBRSL-UHFFFAOYSA-N 1 1 346.435 0.083 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622356 769279094 /nfs/dbraw/zinc/27/90/94/769279094.db2.gz GLBRRQBIHPDULR-ZDUSSCGKSA-N 1 1 349.435 0.982 20 30 ECEDMO C=CCC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622671 769280768 /nfs/dbraw/zinc/28/07/68/769280768.db2.gz UUPDTEVNGKKFHX-UHFFFAOYSA-N 1 1 349.435 0.982 20 30 ECEDMO COc1ccc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)o1 ZINC001055623445 769283430 /nfs/dbraw/zinc/28/34/30/769283430.db2.gz IBJVYTUVPRUJGB-GFCCVEGCSA-N 1 1 348.403 0.758 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2nccs2)CC1 ZINC001055631551 769303333 /nfs/dbraw/zinc/30/33/33/769303333.db2.gz ICSGPAUUHLLSST-NSHDSACASA-N 1 1 335.433 0.613 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2ccnnc2)CC1 ZINC001055654214 769350231 /nfs/dbraw/zinc/35/02/31/769350231.db2.gz VFRIGDOGAOJYIW-UHFFFAOYSA-N 1 1 331.420 0.753 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(C)=O)c1nccn12 ZINC000993645273 769413249 /nfs/dbraw/zinc/41/32/49/769413249.db2.gz YDYZCGSCNQEUIQ-GJZGRUSLSA-N 1 1 341.415 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(C)=O)c1nccn12 ZINC000993645273 769413259 /nfs/dbraw/zinc/41/32/59/769413259.db2.gz YDYZCGSCNQEUIQ-GJZGRUSLSA-N 1 1 341.415 0.099 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC000993633281 769445517 /nfs/dbraw/zinc/44/55/17/769445517.db2.gz OUADAVWZVFKPJF-OCCSQVGLSA-N 1 1 327.392 0.826 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC000993671845 769459482 /nfs/dbraw/zinc/45/94/82/769459482.db2.gz NODVFZUXPLQMNQ-HUUCEWRRSA-N 1 1 341.415 0.488 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC001018538607 769477240 /nfs/dbraw/zinc/47/72/40/769477240.db2.gz BPOWBTYYPHXTCJ-UONOGXRCSA-N 1 1 331.420 0.563 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CC(C)C)C1 ZINC001055725849 769524788 /nfs/dbraw/zinc/52/47/88/769524788.db2.gz GHFVQSDZZZCHEE-QFBILLFUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CC(C)C)C1 ZINC001055725849 769524794 /nfs/dbraw/zinc/52/47/94/769524794.db2.gz GHFVQSDZZZCHEE-QFBILLFUSA-N 1 1 349.475 0.600 20 30 ECEDMO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C(N)=O)[C@@H]2C)cc1C#N ZINC000993744892 769549370 /nfs/dbraw/zinc/54/93/70/769549370.db2.gz LHQLUQNDXGOMCQ-FZMZJTMJSA-N 1 1 330.388 0.521 20 30 ECEDMO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)C(N)=O)[C@@H]2C)cc1C#N ZINC000993744892 769549376 /nfs/dbraw/zinc/54/93/76/769549376.db2.gz LHQLUQNDXGOMCQ-FZMZJTMJSA-N 1 1 330.388 0.521 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ccn[nH]2)[C@H](C)C1 ZINC000993770728 769592740 /nfs/dbraw/zinc/59/27/40/769592740.db2.gz PUYGCWZYKPRTDN-FMKPAKJESA-N 1 1 343.431 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ccn[nH]2)[C@H](C)C1 ZINC000993770728 769592751 /nfs/dbraw/zinc/59/27/51/769592751.db2.gz PUYGCWZYKPRTDN-FMKPAKJESA-N 1 1 343.431 0.332 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H]1C ZINC000993771465 769593811 /nfs/dbraw/zinc/59/38/11/769593811.db2.gz LYAGRSDXWBESDW-PWSUYJOCSA-N 1 1 341.437 0.216 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001078360643 782774013 /nfs/dbraw/zinc/77/40/13/782774013.db2.gz YVPCMCGEFWZMSM-QWHCGFSZSA-N 1 1 349.439 0.295 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)[nH]1 ZINC001018730437 769819282 /nfs/dbraw/zinc/81/92/82/769819282.db2.gz BJUBIRLGOMUMDL-AWEZNQCLSA-N 1 1 339.403 0.892 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001018743131 769842807 /nfs/dbraw/zinc/84/28/07/769842807.db2.gz GCCXHVXTQAWUPG-AWEZNQCLSA-N 1 1 344.350 0.385 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001055823587 769857064 /nfs/dbraw/zinc/85/70/64/769857064.db2.gz GGCLQFWDZXKCLX-QGZVFWFLSA-N 1 1 325.453 0.764 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001055839027 769923856 /nfs/dbraw/zinc/92/38/56/769923856.db2.gz YPZHJXKFVFYVTR-YJBOKZPZSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H]1C ZINC000993990565 769971976 /nfs/dbraw/zinc/97/19/76/769971976.db2.gz RPBRZBGOUIBZGV-LSDHHAIUSA-N 1 1 346.435 0.171 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)C[C@@H]21 ZINC001042116270 782798706 /nfs/dbraw/zinc/79/87/06/782798706.db2.gz AZJBLKYYZYJRCG-ZFWWWQNUSA-N 1 1 339.399 0.908 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C ZINC000994179108 770265262 /nfs/dbraw/zinc/26/52/62/770265262.db2.gz YNWCXDAYTMQYNU-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C ZINC000994201678 770292631 /nfs/dbraw/zinc/29/26/31/770292631.db2.gz IAJZMDZZNQPAGH-WCXIOVBPSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C ZINC000994201678 770292634 /nfs/dbraw/zinc/29/26/34/770292634.db2.gz IAJZMDZZNQPAGH-WCXIOVBPSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@](CO)(NC(=O)C#CC3CC3)C2)C1 ZINC001055939303 770294303 /nfs/dbraw/zinc/29/43/03/770294303.db2.gz WPQNCDKGSMMGBX-DNVCBOLYSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@@H]1C ZINC000994206446 770303439 /nfs/dbraw/zinc/30/34/39/770303439.db2.gz CKTQORTXQGPGCF-WDEREUQCSA-N 1 1 334.376 0.502 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)no1 ZINC001055945461 770312173 /nfs/dbraw/zinc/31/21/73/770312173.db2.gz LUFHHZYVIFTRCA-UHFFFAOYSA-N 1 1 341.375 0.360 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001106859166 770345473 /nfs/dbraw/zinc/34/54/73/770345473.db2.gz OZHNASGKLNYHHR-LSDHHAIUSA-N 1 1 342.447 0.905 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001018955551 770378313 /nfs/dbraw/zinc/37/83/13/770378313.db2.gz NMZWOZKTSDSYPE-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001055981079 770435871 /nfs/dbraw/zinc/43/58/71/770435871.db2.gz WGMAPMZDSTWJEN-SFHVURJKSA-N 1 1 337.464 0.600 20 30 ECEDMO Cc1nc(C=NNC(=S)NCCC[NH+]2CCOCC2)cs1 ZINC000916309789 770445176 /nfs/dbraw/zinc/44/51/76/770445176.db2.gz IDWGVKXMTLMTIG-UHFFFAOYSA-N 1 1 327.479 0.972 20 30 ECEDMO Cc1noc(C)c1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000916311803 770445206 /nfs/dbraw/zinc/44/52/06/770445206.db2.gz RQOMWBSFMNBXDA-UHFFFAOYSA-N 1 1 325.438 0.812 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@@H]21 ZINC001042141165 782842707 /nfs/dbraw/zinc/84/27/07/782842707.db2.gz CAYUIHNBIKQFDE-ZBFHGGJFSA-N 1 1 344.415 0.059 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@H]21 ZINC001042142995 782844144 /nfs/dbraw/zinc/84/41/44/782844144.db2.gz SGJKYZFCWFSQOH-GOEBONIOSA-N 1 1 346.431 0.612 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 ZINC001042143330 782845490 /nfs/dbraw/zinc/84/54/90/782845490.db2.gz WPPGGMFHMOUHSG-LSDHHAIUSA-N 1 1 331.416 0.472 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001056013822 770552637 /nfs/dbraw/zinc/55/26/37/770552637.db2.gz NMKSIUABLBSLFQ-SFHVURJKSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC000994339273 770630387 /nfs/dbraw/zinc/63/03/87/770630387.db2.gz RAJLGRDRCZVPHC-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1C ZINC000994419813 770758791 /nfs/dbraw/zinc/75/87/91/770758791.db2.gz YJRSSUCQUPHFBX-LSDHHAIUSA-N 1 1 343.493 0.262 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1C ZINC000994419813 770758794 /nfs/dbraw/zinc/75/87/94/770758794.db2.gz YJRSSUCQUPHFBX-LSDHHAIUSA-N 1 1 343.493 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H](C)OC)CC1 ZINC001060680364 770761445 /nfs/dbraw/zinc/76/14/45/770761445.db2.gz LRGLHWQSCYXCCZ-QAETUUGQSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H](C)OC)CC1 ZINC001060680364 770761446 /nfs/dbraw/zinc/76/14/46/770761446.db2.gz LRGLHWQSCYXCCZ-QAETUUGQSA-N 1 1 349.475 0.910 20 30 ECEDMO Cc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 ZINC001078398501 782870154 /nfs/dbraw/zinc/87/01/54/782870154.db2.gz OHKURVNKRFSYIN-MRXNPFEDSA-N 1 1 328.416 0.906 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056122302 770872680 /nfs/dbraw/zinc/87/26/80/770872680.db2.gz GBBNSNAULAAKGS-GOSISDBHSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001056124866 770885267 /nfs/dbraw/zinc/88/52/67/770885267.db2.gz QYHREUGKGASESC-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001056127732 770889894 /nfs/dbraw/zinc/88/98/94/770889894.db2.gz HDZNYFOLZOYALU-LPHOPBHVSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C ZINC000994487015 770892636 /nfs/dbraw/zinc/89/26/36/770892636.db2.gz OHILNWDCVPFPJP-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C(C)(F)F)C2 ZINC001019142924 770915030 /nfs/dbraw/zinc/91/50/30/770915030.db2.gz FFRUUKSBQHTSBC-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C(C)(F)F)C2 ZINC001019142924 770915036 /nfs/dbraw/zinc/91/50/36/770915036.db2.gz FFRUUKSBQHTSBC-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ncc(C#N)cc4F)C[C@H]32)C1 ZINC001056228803 771021724 /nfs/dbraw/zinc/02/17/24/771021724.db2.gz VBGHJPSZYRKYQM-RMRHIDDWSA-N 1 1 329.379 0.595 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001056236123 771028229 /nfs/dbraw/zinc/02/82/29/771028229.db2.gz RZFKOGILJYIFPV-QSJFSLAZSA-N 1 1 340.431 0.773 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21 ZINC001042172362 782888287 /nfs/dbraw/zinc/88/82/87/782888287.db2.gz FDGXTJSWPVZRBF-HIFRSBDPSA-N 1 1 344.415 0.685 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001019234476 771037337 /nfs/dbraw/zinc/03/73/37/771037337.db2.gz JQTBALILBRBYRE-LSDHHAIUSA-N 1 1 330.363 0.524 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)C[C@@H]21 ZINC001042173762 782889257 /nfs/dbraw/zinc/88/92/57/782889257.db2.gz TZAMTHWUVYHBKB-ZBFHGGJFSA-N 1 1 336.399 0.832 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001056307665 771100787 /nfs/dbraw/zinc/10/07/87/771100787.db2.gz UYXIMXVBEAASPQ-QDEZUTFSSA-N 1 1 340.431 0.772 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001056309918 771104729 /nfs/dbraw/zinc/10/47/29/771104729.db2.gz JCXWUPYNAJDWEU-BBWFWOEESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccccc3C(N)=O)C[C@@H]21 ZINC001042179436 782898599 /nfs/dbraw/zinc/89/85/99/782898599.db2.gz LZSHUWZDLDAEFG-PBHICJAKSA-N 1 1 325.412 0.884 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)CC[N@H+]1C ZINC001056444764 771276303 /nfs/dbraw/zinc/27/63/03/771276303.db2.gz NBCOAGJKQFUUQG-UYLCMAPUSA-N 1 1 326.404 0.239 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127472779 771301636 /nfs/dbraw/zinc/30/16/36/771301636.db2.gz UIKLNVSFKZWBAL-DZGCQCFKSA-N 1 1 346.435 0.433 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCOCCNc1nccnc1C#N ZINC001127473074 771302437 /nfs/dbraw/zinc/30/24/37/771302437.db2.gz ZKDSQXSJSKVMKZ-KGLIPLIRSA-N 1 1 346.435 0.433 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(C)nn3C)C2)C1=O ZINC001031569128 771307515 /nfs/dbraw/zinc/30/75/15/771307515.db2.gz YFCMGXCDIRMBKQ-AWEZNQCLSA-N 1 1 331.420 0.177 20 30 ECEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CS(=O)(=O)NC ZINC001099344941 771328962 /nfs/dbraw/zinc/32/89/62/771328962.db2.gz QTKDQELSRAUYIG-CYBMUJFWSA-N 1 1 331.482 0.719 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)cc1 ZINC001019478392 771341867 /nfs/dbraw/zinc/34/18/67/771341867.db2.gz AAQBGVKYWZCALH-AWEZNQCLSA-N 1 1 340.387 0.226 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)nn1 ZINC001019483577 771347405 /nfs/dbraw/zinc/34/74/05/771347405.db2.gz XALIVZCMJYIAST-NSHDSACASA-N 1 1 349.826 0.855 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2CC3(C2)CC(Nc2ccnc(C#N)n2)C3)C1 ZINC001056520475 771350004 /nfs/dbraw/zinc/35/00/04/771350004.db2.gz DSRLHVOPSORONC-QKTWGNPWSA-N 1 1 340.431 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)C2CCC2)C1 ZINC001019510532 771385401 /nfs/dbraw/zinc/38/54/01/771385401.db2.gz MEHGYBVTEAAMSW-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)C2CCC2)C1 ZINC001019510532 771385404 /nfs/dbraw/zinc/38/54/04/771385404.db2.gz MEHGYBVTEAAMSW-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1cc(F)ncn1 ZINC001127511331 771405958 /nfs/dbraw/zinc/40/59/58/771405958.db2.gz PEUYLMHEIOXRKP-AWEZNQCLSA-N 1 1 349.410 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1cc(F)ncn1 ZINC001127511331 771405961 /nfs/dbraw/zinc/40/59/61/771405961.db2.gz PEUYLMHEIOXRKP-AWEZNQCLSA-N 1 1 349.410 0.600 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC(C)(C)C1 ZINC001089541401 771426217 /nfs/dbraw/zinc/42/62/17/771426217.db2.gz KABYZVRSAWHTEN-ZDUSSCGKSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CCCO1 ZINC001089547356 771446347 /nfs/dbraw/zinc/44/63/47/771446347.db2.gz SDSKBGWDACFSNC-MRXNPFEDSA-N 1 1 346.431 0.845 20 30 ECEDMO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@@H]1CCNC(=O)C1 ZINC001031613888 771447491 /nfs/dbraw/zinc/44/74/91/771447491.db2.gz SMMXJJSHIMDJHF-QGZVFWFLSA-N 1 1 325.412 0.612 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001056630351 771449113 /nfs/dbraw/zinc/44/91/13/771449113.db2.gz BAKWHYRNODOZTQ-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)CC(C)(C)C1 ZINC001089552143 771465220 /nfs/dbraw/zinc/46/52/20/771465220.db2.gz MEGGQVZHKOYKHE-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001056648449 771467301 /nfs/dbraw/zinc/46/73/01/771467301.db2.gz WSKLTKAUXIVHBC-OCCSQVGLSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001056648449 771467304 /nfs/dbraw/zinc/46/73/04/771467304.db2.gz WSKLTKAUXIVHBC-OCCSQVGLSA-N 1 1 330.392 0.082 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001056653180 771474155 /nfs/dbraw/zinc/47/41/55/771474155.db2.gz QCSLZKIRHMMNOI-WFXMFSGNSA-N 1 1 349.475 0.857 20 30 ECEDMO N#Cc1cccnc1N[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056667101 771490456 /nfs/dbraw/zinc/49/04/56/771490456.db2.gz UHXFLWLJQLFCQR-OAHLLOKOSA-N 1 1 329.404 0.688 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001056667737 771491772 /nfs/dbraw/zinc/49/17/72/771491772.db2.gz RKNBGNVSQQDPHK-IXDOHACOSA-N 1 1 349.475 0.816 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212244332 771503895 /nfs/dbraw/zinc/50/38/95/771503895.db2.gz PDTMZUPBPWAVDI-IAGOWNOFSA-N 1 1 341.411 0.514 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212244332 771503900 /nfs/dbraw/zinc/50/39/00/771503900.db2.gz PDTMZUPBPWAVDI-IAGOWNOFSA-N 1 1 341.411 0.514 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(F)F)CCCO1 ZINC001019611117 771592463 /nfs/dbraw/zinc/59/24/63/771592463.db2.gz BNFQKZDHLVWHDA-OLZOCXBDSA-N 1 1 343.374 0.083 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(F)F)CCCO1 ZINC001019611117 771592466 /nfs/dbraw/zinc/59/24/66/771592466.db2.gz BNFQKZDHLVWHDA-OLZOCXBDSA-N 1 1 343.374 0.083 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001056756272 771595671 /nfs/dbraw/zinc/59/56/71/771595671.db2.gz HVAWFPWGWSHHNA-HUUCEWRRSA-N 1 1 342.447 0.905 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCCN1C(=O)[C@@H](C)OC ZINC001019728062 771741726 /nfs/dbraw/zinc/74/17/26/771741726.db2.gz UOMVOJGPXWSFEW-ZACQAIPSSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCCN1C(=O)[C@@H](C)OC ZINC001019728062 771741730 /nfs/dbraw/zinc/74/17/30/771741730.db2.gz UOMVOJGPXWSFEW-ZACQAIPSSA-N 1 1 349.475 0.958 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001056870718 771746011 /nfs/dbraw/zinc/74/60/11/771746011.db2.gz BVUIKHHMAWOIDM-LSDHHAIUSA-N 1 1 328.420 0.788 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001019745194 771753492 /nfs/dbraw/zinc/75/34/92/771753492.db2.gz GIKRXIBFDUKEKG-HNNXBMFYSA-N 1 1 328.351 0.680 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 ZINC001056926217 771814482 /nfs/dbraw/zinc/81/44/82/771814482.db2.gz AIJQJYWAWRJNLV-AWEZNQCLSA-N 1 1 325.376 0.591 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3ccncc3C#N)C2)C1 ZINC001056930194 771821308 /nfs/dbraw/zinc/82/13/08/771821308.db2.gz DZXJNQBQMLVIOW-WBVHZDCISA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3ccncc3C#N)C2)C1 ZINC001056930194 771821314 /nfs/dbraw/zinc/82/13/14/771821314.db2.gz DZXJNQBQMLVIOW-WBVHZDCISA-N 1 1 343.431 0.711 20 30 ECEDMO CN(c1ccc(C#N)cn1)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056939840 771835776 /nfs/dbraw/zinc/83/57/76/771835776.db2.gz FGVDVUVKOXMSPZ-MRXNPFEDSA-N 1 1 343.431 0.713 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)c3[nH]nc(C)c3C)C2)C1=O ZINC001020037207 772098530 /nfs/dbraw/zinc/09/85/30/772098530.db2.gz KUIXHSVKOKQOPS-IHRRRGAJSA-N 1 1 331.420 0.664 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ccncc3C#N)CC2)C1 ZINC001057115343 772108573 /nfs/dbraw/zinc/10/85/73/772108573.db2.gz OCTWDQQVCYLBHX-INIZCTEOSA-N 1 1 329.404 0.323 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ccncc3C#N)CC2)C1 ZINC001057115343 772108575 /nfs/dbraw/zinc/10/85/75/772108575.db2.gz OCTWDQQVCYLBHX-INIZCTEOSA-N 1 1 329.404 0.323 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001057115546 772109437 /nfs/dbraw/zinc/10/94/37/772109437.db2.gz ZZABWJDMPSCRIF-OAHLLOKOSA-N 1 1 329.404 0.323 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001057115546 772109439 /nfs/dbraw/zinc/10/94/39/772109439.db2.gz ZZABWJDMPSCRIF-OAHLLOKOSA-N 1 1 329.404 0.323 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCCO2)[C@H]1C ZINC001020085579 772139999 /nfs/dbraw/zinc/13/99/99/772139999.db2.gz ARNIVIAOMYOYNI-YVSFHVDLSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCCO2)[C@H]1C ZINC001020085579 772140002 /nfs/dbraw/zinc/14/00/02/772140002.db2.gz ARNIVIAOMYOYNI-YVSFHVDLSA-N 1 1 347.459 0.759 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C[C@@H]21 ZINC001042254168 782989059 /nfs/dbraw/zinc/98/90/59/782989059.db2.gz IKABUWUXBBYOKZ-HIFRSBDPSA-N 1 1 346.431 0.197 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=COCCC2)[C@H]1C ZINC001020116938 772177058 /nfs/dbraw/zinc/17/70/58/772177058.db2.gz CPWNTDCDGZBDBG-XIRDDKMYSA-N 1 1 345.443 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=COCCC2)[C@H]1C ZINC001020116938 772177060 /nfs/dbraw/zinc/17/70/60/772177060.db2.gz CPWNTDCDGZBDBG-XIRDDKMYSA-N 1 1 345.443 0.884 20 30 ECEDMO N#Cc1ccc(N2CCCN(C(=O)CC[NH+]3CCOCC3)CC2)nn1 ZINC001057156065 772184702 /nfs/dbraw/zinc/18/47/02/772184702.db2.gz JYSSGMABBCQWDD-UHFFFAOYSA-N 1 1 344.419 0.109 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001078465323 782996443 /nfs/dbraw/zinc/99/64/43/782996443.db2.gz VZNYLVYBNUMYLP-CYBMUJFWSA-N 1 1 349.435 0.172 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057234695 772318933 /nfs/dbraw/zinc/31/89/33/772318933.db2.gz LZLUHTCEOXTSLZ-DZGCQCFKSA-N 1 1 328.420 0.585 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057234651 772319395 /nfs/dbraw/zinc/31/93/95/772319395.db2.gz KSXQFKBPWLROHT-KBPBESRZSA-N 1 1 328.420 0.585 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CCCO)[C@H]3C2)nn1 ZINC001042267932 783010962 /nfs/dbraw/zinc/01/09/62/783010962.db2.gz YEJMQICPAWTSCH-HOCLYGCPSA-N 1 1 333.436 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC(OC)C2)[C@H]1C ZINC001020341265 772468124 /nfs/dbraw/zinc/46/81/24/772468124.db2.gz HCXRJMYEYIUUMM-VMAZRHSESA-N 1 1 347.459 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC(OC)C2)[C@H]1C ZINC001020341265 772468127 /nfs/dbraw/zinc/46/81/27/772468127.db2.gz HCXRJMYEYIUUMM-VMAZRHSESA-N 1 1 347.459 0.615 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 ZINC001057369165 772530591 /nfs/dbraw/zinc/53/05/91/772530591.db2.gz SHJLHBIZKJAAPY-UHFFFAOYSA-N 1 1 349.435 0.169 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001057390921 772559831 /nfs/dbraw/zinc/55/98/31/772559831.db2.gz VGPXDMNKYMXQKG-KRWDZBQOSA-N 1 1 347.459 0.215 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001057390921 772559835 /nfs/dbraw/zinc/55/98/35/772559835.db2.gz VGPXDMNKYMXQKG-KRWDZBQOSA-N 1 1 347.459 0.215 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)C ZINC001057525311 772718431 /nfs/dbraw/zinc/71/84/31/772718431.db2.gz OQLIUIBUZKAUGG-MRXNPFEDSA-N 1 1 337.464 0.457 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540008 772735306 /nfs/dbraw/zinc/73/53/06/772735306.db2.gz CQCAPDTZVFASPA-OAHLLOKOSA-N 1 1 337.464 0.457 20 30 ECEDMO Cc1nc(N[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001057600909 772797563 /nfs/dbraw/zinc/79/75/63/772797563.db2.gz IPFAVEOTYCJAES-CVEARBPZSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1nc(N[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001057600909 772797565 /nfs/dbraw/zinc/79/75/65/772797565.db2.gz IPFAVEOTYCJAES-CVEARBPZSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001057601723 772799563 /nfs/dbraw/zinc/79/95/63/772799563.db2.gz TWZLKPHIZBSHJN-CABCVRRESA-N 1 1 339.480 0.724 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001057653689 772869089 /nfs/dbraw/zinc/86/90/89/772869089.db2.gz UFOVXWRFPDTTGZ-CQSZACIVSA-N 1 1 325.376 0.956 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057655370 772871953 /nfs/dbraw/zinc/87/19/53/772871953.db2.gz ODWCLFHSLXMVPG-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057655370 772871957 /nfs/dbraw/zinc/87/19/57/772871957.db2.gz ODWCLFHSLXMVPG-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001057694844 772919030 /nfs/dbraw/zinc/91/90/30/772919030.db2.gz QFLURGMILKDXOL-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057863514 773089464 /nfs/dbraw/zinc/08/94/64/773089464.db2.gz VBTXIEWLFIUWRW-UHFFFAOYSA-N 1 1 327.469 0.866 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057945941 773245770 /nfs/dbraw/zinc/24/57/70/773245770.db2.gz MRVWEPKSWGBYEL-DOMZBBRYSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CC(C)(C)C1 ZINC001057961280 773291294 /nfs/dbraw/zinc/29/12/94/773291294.db2.gz PJZPAQHINKNAFE-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CC(C)(C)C1 ZINC001057961280 773291297 /nfs/dbraw/zinc/29/12/97/773291297.db2.gz PJZPAQHINKNAFE-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(c2nccnc2C#N)CC1 ZINC001058041185 773411102 /nfs/dbraw/zinc/41/11/02/773411102.db2.gz UKGSFAJJEPAWPT-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058056478 773446549 /nfs/dbraw/zinc/44/65/49/773446549.db2.gz XZKVUQQVAHDCJD-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058157592 773657810 /nfs/dbraw/zinc/65/78/10/773657810.db2.gz BMAIGSVSRYKCGX-HNNXBMFYSA-N 1 1 339.480 0.868 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001058166321 773680112 /nfs/dbraw/zinc/68/01/12/773680112.db2.gz YJGRSEKLIIHURH-ZIAGYGMSSA-N 1 1 328.420 0.693 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058168068 773684014 /nfs/dbraw/zinc/68/40/14/773684014.db2.gz SZBBWYFPYDOQMZ-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058168068 773684019 /nfs/dbraw/zinc/68/40/19/773684019.db2.gz SZBBWYFPYDOQMZ-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058177059 773707583 /nfs/dbraw/zinc/70/75/83/773707583.db2.gz OMXBTZKXAVFIIA-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058211440 773782238 /nfs/dbraw/zinc/78/22/38/773782238.db2.gz CPQUHZWLUIXKSL-ZDUSSCGKSA-N 1 1 325.376 0.638 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)C2)O1 ZINC001058263897 773875051 /nfs/dbraw/zinc/87/50/51/773875051.db2.gz DLDNDTYWPWEWDP-FVQBIDKESA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)C2)O1 ZINC001058263897 773875057 /nfs/dbraw/zinc/87/50/57/773875057.db2.gz DLDNDTYWPWEWDP-FVQBIDKESA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)O1 ZINC001058264319 773876324 /nfs/dbraw/zinc/87/63/24/773876324.db2.gz TVZCJPABDHXVJZ-HZSPNIEDSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)O1 ZINC001058264319 773876327 /nfs/dbraw/zinc/87/63/27/773876327.db2.gz TVZCJPABDHXVJZ-HZSPNIEDSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)O1 ZINC001058264302 773876580 /nfs/dbraw/zinc/87/65/80/773876580.db2.gz SVNWKFAEXDTTFK-VNHYZAJKSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)O1 ZINC001058264302 773876585 /nfs/dbraw/zinc/87/65/85/773876585.db2.gz SVNWKFAEXDTTFK-VNHYZAJKSA-N 1 1 344.419 0.152 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058265797 773879800 /nfs/dbraw/zinc/87/98/00/773879800.db2.gz SEOARBODVZCVFN-ZIAGYGMSSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC001058317321 773962687 /nfs/dbraw/zinc/96/26/87/773962687.db2.gz UDQMXCDXUWAWCZ-JSGCOSHPSA-N 1 1 349.822 0.632 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC001058317321 773962692 /nfs/dbraw/zinc/96/26/92/773962692.db2.gz UDQMXCDXUWAWCZ-JSGCOSHPSA-N 1 1 349.822 0.632 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058447067 774200619 /nfs/dbraw/zinc/20/06/19/774200619.db2.gz OORKLHZTSWZKQC-DZGCQCFKSA-N 1 1 328.420 0.916 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001058465880 774238907 /nfs/dbraw/zinc/23/89/07/774238907.db2.gz AXJDRMNFZBHTOZ-AWEZNQCLSA-N 1 1 336.436 0.731 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001058497388 774310152 /nfs/dbraw/zinc/31/01/52/774310152.db2.gz UCGMYRFDAORJIL-GJZGRUSLSA-N 1 1 325.453 0.620 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)C1 ZINC001058542947 774399198 /nfs/dbraw/zinc/39/91/98/774399198.db2.gz HDPQPGGFTUUMCZ-CQSZACIVSA-N 1 1 328.420 0.775 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001040652318 783185243 /nfs/dbraw/zinc/18/52/43/783185243.db2.gz GCINYJSWMOLHIS-BXWFABGCSA-N 1 1 349.475 0.456 20 30 ECEDMO CCn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)nn1 ZINC001044980413 774794956 /nfs/dbraw/zinc/79/49/56/774794956.db2.gz XEDRJBWICPNMIR-AWEZNQCLSA-N 1 1 327.392 0.892 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044994611 774811238 /nfs/dbraw/zinc/81/12/38/774811238.db2.gz WVNLIEYZBATZAS-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001044999387 774816014 /nfs/dbraw/zinc/81/60/14/774816014.db2.gz YWMNKXFRZIBFCT-CABCVRRESA-N 1 1 335.448 0.067 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001045069641 774930378 /nfs/dbraw/zinc/93/03/78/774930378.db2.gz YKFNTBPYOXLIPX-LSDHHAIUSA-N 1 1 337.464 0.620 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@@H]2O)cn1 ZINC001044078023 775657158 /nfs/dbraw/zinc/65/71/58/775657158.db2.gz UGCRHJAENSNJCX-CVEARBPZSA-N 1 1 337.383 0.449 20 30 ECEDMO C#Cc1cncc(C(=O)NC2(C)CC[NH+](CC(=O)NC3CC3)CC2)c1 ZINC001045551521 775780001 /nfs/dbraw/zinc/78/00/01/775780001.db2.gz NKRAPNWISRBIQV-UHFFFAOYSA-N 1 1 340.427 0.926 20 30 ECEDMO C=CCn1cc(C(=O)NC2(C)CC[NH+](Cc3ccn(C)n3)CC2)nn1 ZINC001045580833 775829341 /nfs/dbraw/zinc/82/93/41/775829341.db2.gz SXRAJQDAKVWEIN-UHFFFAOYSA-N 1 1 343.435 0.982 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001044201857 775910829 /nfs/dbraw/zinc/91/08/29/775910829.db2.gz GOHDHLQBEDNPKH-AWEZNQCLSA-N 1 1 329.400 0.886 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H]3CCNC(=O)CC3)C2)nc1 ZINC001044203609 775914599 /nfs/dbraw/zinc/91/45/99/775914599.db2.gz QRKAXWAVUJWPJI-OAHLLOKOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)cn1 ZINC001044206008 775916729 /nfs/dbraw/zinc/91/67/29/775916729.db2.gz RKXSMFLKMORKRP-AWEZNQCLSA-N 1 1 340.427 0.735 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 ZINC001068493661 790402314 /nfs/dbraw/zinc/40/23/14/790402314.db2.gz WFYFHTJFBMYMKC-MQMHXKEQSA-N 1 1 325.376 0.860 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001068494043 790403449 /nfs/dbraw/zinc/40/34/49/790403449.db2.gz KJDQQDXBRBWJQQ-MGPQQGTHSA-N 1 1 328.420 0.915 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2(C)CCN([C@@H](C)C(N)=O)CC2)CC1 ZINC001045646338 775958981 /nfs/dbraw/zinc/95/89/81/775958981.db2.gz GVQCLJGNYYPXEJ-AWEZNQCLSA-N 1 1 334.464 0.176 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CCN(CC#N)CC2 ZINC001045672461 776012033 /nfs/dbraw/zinc/01/20/33/776012033.db2.gz DJJUKEHUIGZMJG-IRXDYDNUSA-N 1 1 344.459 0.595 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CCN(CC#N)CC2 ZINC001045672461 776012041 /nfs/dbraw/zinc/01/20/41/776012041.db2.gz DJJUKEHUIGZMJG-IRXDYDNUSA-N 1 1 344.459 0.595 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)c[nH]1 ZINC001045758331 776150349 /nfs/dbraw/zinc/15/03/49/776150349.db2.gz VIXKIEPNHGLOND-ILXRZTDVSA-N 1 1 327.388 0.454 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070040861 790423026 /nfs/dbraw/zinc/42/30/26/790423026.db2.gz JDPQFJBRUZQAON-CABCVRRESA-N 1 1 329.408 0.644 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070040861 790423037 /nfs/dbraw/zinc/42/30/37/790423037.db2.gz JDPQFJBRUZQAON-CABCVRRESA-N 1 1 329.408 0.644 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001044364542 776222851 /nfs/dbraw/zinc/22/28/51/776222851.db2.gz ZNSPPWBSQOBYOL-MRXNPFEDSA-N 1 1 341.411 0.065 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070051542 790456539 /nfs/dbraw/zinc/45/65/39/790456539.db2.gz AAJAJTGYVOVEAX-CVEARBPZSA-N 1 1 341.419 0.916 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070051542 790456547 /nfs/dbraw/zinc/45/65/47/790456547.db2.gz AAJAJTGYVOVEAX-CVEARBPZSA-N 1 1 341.419 0.916 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642872 776590121 /nfs/dbraw/zinc/59/01/21/776590121.db2.gz PRBGHRQZLAANCQ-WQVCFCJDSA-N 1 1 345.374 0.722 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642872 776590127 /nfs/dbraw/zinc/59/01/27/776590127.db2.gz PRBGHRQZLAANCQ-WQVCFCJDSA-N 1 1 345.374 0.722 20 30 ECEDMO CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001079732679 776772450 /nfs/dbraw/zinc/77/24/50/776772450.db2.gz KFDYPLXMWGBJMC-DOTOQJQBSA-N 1 1 347.459 0.568 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](n2ccnn2)C1 ZINC001070062870 790483015 /nfs/dbraw/zinc/48/30/15/790483015.db2.gz IFCGWQXCYUSZKO-ZBFHGGJFSA-N 1 1 343.435 0.805 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079773670 776842010 /nfs/dbraw/zinc/84/20/10/776842010.db2.gz UHLHECFSISYDHR-WBVHZDCISA-N 1 1 349.475 0.957 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001079777459 776854989 /nfs/dbraw/zinc/85/49/89/776854989.db2.gz ZYCKPLPNOCONFR-ZDUSSCGKSA-N 1 1 332.404 0.289 20 30 ECEDMO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001079852288 776977737 /nfs/dbraw/zinc/97/77/37/776977737.db2.gz DQIIASSULUOKCC-ZDUSSCGKSA-N 1 1 334.420 0.850 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001079928693 777097643 /nfs/dbraw/zinc/09/76/43/777097643.db2.gz RRKPTFQGFRYCSZ-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070075300 790518922 /nfs/dbraw/zinc/51/89/22/790518922.db2.gz WKOQHDYTMPUQPL-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070075300 790518929 /nfs/dbraw/zinc/51/89/29/790518929.db2.gz WKOQHDYTMPUQPL-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001080009075 777221932 /nfs/dbraw/zinc/22/19/32/777221932.db2.gz OZYQBRCKEHBFMW-WBVHZDCISA-N 1 1 345.443 0.182 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001080009075 777221937 /nfs/dbraw/zinc/22/19/37/777221937.db2.gz OZYQBRCKEHBFMW-WBVHZDCISA-N 1 1 345.443 0.182 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C(C)(C)COC)C1 ZINC001080086755 777363451 /nfs/dbraw/zinc/36/34/51/777363451.db2.gz VBVANFFUQMCYRW-INIZCTEOSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C(C)(C)COC)C1 ZINC001080086755 777363456 /nfs/dbraw/zinc/36/34/56/777363456.db2.gz VBVANFFUQMCYRW-INIZCTEOSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001080139766 777448599 /nfs/dbraw/zinc/44/85/99/777448599.db2.gz VXOTZGDBWNDKEZ-ZIAGYGMSSA-N 1 1 329.466 0.425 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080140559 777450557 /nfs/dbraw/zinc/45/05/57/777450557.db2.gz VYNYLKWOMURTAZ-KBXCAEBGSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001080193433 777533444 /nfs/dbraw/zinc/53/34/44/777533444.db2.gz CDOVEZVTSFFBRS-KRWDZBQOSA-N 1 1 348.491 0.485 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001080196415 777537424 /nfs/dbraw/zinc/53/74/24/777537424.db2.gz XJDHHNNQVNNOIA-KBAYOESNSA-N 1 1 333.476 0.947 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080265315 777629348 /nfs/dbraw/zinc/62/93/48/777629348.db2.gz ZPHNDDDTXUYHJJ-LERXQTSPSA-N 1 1 347.444 0.580 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080265315 777629352 /nfs/dbraw/zinc/62/93/52/777629352.db2.gz ZPHNDDDTXUYHJJ-LERXQTSPSA-N 1 1 347.444 0.580 20 30 ECEDMO CC#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080299935 777657976 /nfs/dbraw/zinc/65/79/76/777657976.db2.gz SZHVWAKYGRIFFU-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO CC#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080299935 777657982 /nfs/dbraw/zinc/65/79/82/777657982.db2.gz SZHVWAKYGRIFFU-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043130373 777787494 /nfs/dbraw/zinc/78/74/94/777787494.db2.gz PKOKCWWIYJKMEG-UHFFFAOYSA-N 1 1 332.404 0.075 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@H](O)CN3CCCC3=O)C[C@H]2C)C1 ZINC001080404426 777802791 /nfs/dbraw/zinc/80/27/91/777802791.db2.gz HNEVHXAWZKTFNH-OWCLPIDISA-N 1 1 349.475 0.763 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001080471130 777904474 /nfs/dbraw/zinc/90/44/74/777904474.db2.gz QURVRSYRGPVTBZ-FPCVCCKLSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001080471130 777904480 /nfs/dbraw/zinc/90/44/80/777904480.db2.gz QURVRSYRGPVTBZ-FPCVCCKLSA-N 1 1 335.448 0.636 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001043211532 777973036 /nfs/dbraw/zinc/97/30/36/777973036.db2.gz LSRXYEOJIKGRCC-YUELXQCFSA-N 1 1 344.419 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001043211532 777973040 /nfs/dbraw/zinc/97/30/40/777973040.db2.gz LSRXYEOJIKGRCC-YUELXQCFSA-N 1 1 344.419 0.328 20 30 ECEDMO CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001080559518 778035775 /nfs/dbraw/zinc/03/57/75/778035775.db2.gz HZNUAUSXCXYMNH-CYBMUJFWSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1cncc(C#N)n1 ZINC001043250527 778046298 /nfs/dbraw/zinc/04/62/98/778046298.db2.gz DQTPSBBQPKSBLQ-VNHYZAJKSA-N 1 1 328.420 0.949 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001080574423 778067652 /nfs/dbraw/zinc/06/76/52/778067652.db2.gz BLOYYSARHXLEBB-CVEARBPZSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001043316084 778147602 /nfs/dbraw/zinc/14/76/02/778147602.db2.gz VVXASHNLGOIHHE-CQSZACIVSA-N 1 1 346.431 0.806 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC001068570902 790599799 /nfs/dbraw/zinc/59/97/99/790599799.db2.gz FKZQZHFIEPQVJF-HOTGVXAUSA-N 1 1 347.459 0.474 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001043410527 778285672 /nfs/dbraw/zinc/28/56/72/778285672.db2.gz OBRLTIBWPWOEJG-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043431512 778320438 /nfs/dbraw/zinc/32/04/38/778320438.db2.gz SPRXXEOSUVJYKG-UHFFFAOYSA-N 1 1 325.453 0.618 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102502 790613586 /nfs/dbraw/zinc/61/35/86/790613586.db2.gz NZWBDRGWSZTGDX-PMPSAXMXSA-N 1 1 330.436 0.127 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCOCC1 ZINC001070108497 790630485 /nfs/dbraw/zinc/63/04/85/790630485.db2.gz FFUPBZSFZPUIEZ-CVEARBPZSA-N 1 1 349.475 0.625 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043613110 778593315 /nfs/dbraw/zinc/59/33/15/778593315.db2.gz ODXHQDMNKJMDHN-UHFFFAOYSA-N 1 1 337.464 0.456 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070112361 790644710 /nfs/dbraw/zinc/64/47/10/790644710.db2.gz VYNBYHLBZPITAE-UHFFFAOYSA-N 1 1 349.475 0.913 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001043692367 778731328 /nfs/dbraw/zinc/73/13/28/778731328.db2.gz UJFVMWXUTAHDOR-UHFFFAOYSA-N 1 1 345.443 0.774 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001043692367 778731331 /nfs/dbraw/zinc/73/13/31/778731331.db2.gz UJFVMWXUTAHDOR-UHFFFAOYSA-N 1 1 345.443 0.774 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043774402 778853152 /nfs/dbraw/zinc/85/31/52/778853152.db2.gz WETVXLBUCRSDGL-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070130237 790708874 /nfs/dbraw/zinc/70/88/74/790708874.db2.gz YLLRGCMMTJHQPF-NEPJUHHUSA-N 1 1 349.782 0.182 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC001042301787 780023334 /nfs/dbraw/zinc/02/33/34/780023334.db2.gz NPZOUAONAGMGJP-ZIAGYGMSSA-N 1 1 346.431 0.263 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]21 ZINC001042309167 780044674 /nfs/dbraw/zinc/04/46/74/780044674.db2.gz AKLCROFVGJOWFV-GXTWGEPZSA-N 1 1 342.403 0.530 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]21 ZINC001042312078 780052797 /nfs/dbraw/zinc/05/27/97/780052797.db2.gz MUVLHGKMUXVXTD-DGCLKSJQSA-N 1 1 328.376 0.140 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042319915 780068295 /nfs/dbraw/zinc/06/82/95/780068295.db2.gz LPSMGOYVUJKNRO-GDBMZVCRSA-N 1 1 329.400 0.622 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC)[C@H]3C2)cn1 ZINC001042320675 780069452 /nfs/dbraw/zinc/06/94/52/780069452.db2.gz SUNOUFFSURAEQW-CJNGLKHVSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC)[C@H]3C2)cn1 ZINC001042320675 780069461 /nfs/dbraw/zinc/06/94/61/780069461.db2.gz SUNOUFFSURAEQW-CJNGLKHVSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC001042331423 780085482 /nfs/dbraw/zinc/08/54/82/780085482.db2.gz BVGGPVAQQLGNPJ-KBPBESRZSA-N 1 1 348.447 0.816 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@H]21 ZINC001042362314 780147428 /nfs/dbraw/zinc/14/74/28/780147428.db2.gz JKEGHNKXJLADFC-UKRRQHHQSA-N 1 1 326.400 0.740 20 30 ECEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)sn1 ZINC001070157165 790778476 /nfs/dbraw/zinc/77/84/76/790778476.db2.gz MDMNRONXOMKVRZ-GDLCADMTSA-N 1 1 345.432 0.744 20 30 ECEDMO Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159590 790787323 /nfs/dbraw/zinc/78/73/23/790787323.db2.gz JEEHHPISLFCBDX-HONMWMINSA-N 1 1 329.364 0.276 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001042584799 780485117 /nfs/dbraw/zinc/48/51/17/780485117.db2.gz HTMAZJPURCSHKZ-QHSBEEBCSA-N 1 1 328.420 0.629 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001042664486 780609355 /nfs/dbraw/zinc/60/93/55/780609355.db2.gz XMYFHMJZVPFLSG-UHFFFAOYSA-N 1 1 332.404 0.075 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001078962285 780656646 /nfs/dbraw/zinc/65/66/46/780656646.db2.gz NRWDOLSNTMDVTI-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001042775931 780795010 /nfs/dbraw/zinc/79/50/10/780795010.db2.gz DVLHUTTZXSYQOS-QLFBSQMISA-N 1 1 329.404 0.367 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001079143803 780810105 /nfs/dbraw/zinc/81/01/05/780810105.db2.gz ONDVSLVLMPJHJF-YYIAUSFCSA-N 1 1 343.427 0.368 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001079143803 780810116 /nfs/dbraw/zinc/81/01/16/780810116.db2.gz ONDVSLVLMPJHJF-YYIAUSFCSA-N 1 1 343.427 0.368 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nc[nH]n2)C1 ZINC001079145997 780813830 /nfs/dbraw/zinc/81/38/30/780813830.db2.gz LMXVKJVYJNOJBV-HUUCEWRRSA-N 1 1 327.388 0.678 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nc[nH]n2)C1 ZINC001079145997 780813838 /nfs/dbraw/zinc/81/38/38/780813838.db2.gz LMXVKJVYJNOJBV-HUUCEWRRSA-N 1 1 327.388 0.678 20 30 ECEDMO C=CC(C)(C)C(=O)NCCCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001079162991 780841644 /nfs/dbraw/zinc/84/16/44/780841644.db2.gz LXZXORRXFQOEOE-UHFFFAOYSA-N 1 1 338.452 0.115 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042801847 780846725 /nfs/dbraw/zinc/84/67/25/780846725.db2.gz WKWALQYXRNBKGQ-OAHLLOKOSA-N 1 1 335.448 0.352 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NCC#N)C2)C1 ZINC001079176706 780852983 /nfs/dbraw/zinc/85/29/83/780852983.db2.gz MXISPFVHWUGICI-GVDBMIGSSA-N 1 1 346.406 0.564 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NCC#N)C2)C1 ZINC001079176706 780852985 /nfs/dbraw/zinc/85/29/85/780852985.db2.gz MXISPFVHWUGICI-GVDBMIGSSA-N 1 1 346.406 0.564 20 30 ECEDMO CN(c1ccc(C#N)nn1)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001068663773 790835270 /nfs/dbraw/zinc/83/52/70/790835270.db2.gz LNRDYKLUHNCKMN-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1ccc(C#N)nn1)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001068663773 790835286 /nfs/dbraw/zinc/83/52/86/790835286.db2.gz LNRDYKLUHNCKMN-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC3(CCN(CC#N)CC3)[C@H]3COC[C@H]32)C1 ZINC001079270282 780945938 /nfs/dbraw/zinc/94/59/38/780945938.db2.gz KUXIEFJZWQEEBQ-YESZJQIVSA-N 1 1 346.475 0.791 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079399969 781076622 /nfs/dbraw/zinc/07/66/22/781076622.db2.gz HTMYDBMAXKCLLZ-ZWNOBZJWSA-N 1 1 331.405 0.243 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079399969 781076627 /nfs/dbraw/zinc/07/66/27/781076627.db2.gz HTMYDBMAXKCLLZ-ZWNOBZJWSA-N 1 1 331.405 0.243 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(C)n2CC)C1 ZINC001042961074 781104238 /nfs/dbraw/zinc/10/42/38/781104238.db2.gz XFMKWHIRZNADMR-INIZCTEOSA-N 1 1 344.463 0.347 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(C)n2CC)C1 ZINC001042961074 781104240 /nfs/dbraw/zinc/10/42/40/781104240.db2.gz XFMKWHIRZNADMR-INIZCTEOSA-N 1 1 344.463 0.347 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ncc(CC)o2)C1 ZINC001042961005 781104302 /nfs/dbraw/zinc/10/43/02/781104302.db2.gz WGDCUFZXVJGAAD-INIZCTEOSA-N 1 1 330.432 0.977 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ncc(CC)o2)C1 ZINC001042961005 781104305 /nfs/dbraw/zinc/10/43/05/781104305.db2.gz WGDCUFZXVJGAAD-INIZCTEOSA-N 1 1 330.432 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCO[C@@H]2CC2(F)F)C1 ZINC001042961940 781104749 /nfs/dbraw/zinc/10/47/49/781104749.db2.gz AVYMGYWTYBJJBV-LSDHHAIUSA-N 1 1 341.402 0.651 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCO[C@@H]2CC2(F)F)C1 ZINC001042961940 781104752 /nfs/dbraw/zinc/10/47/52/781104752.db2.gz AVYMGYWTYBJJBV-LSDHHAIUSA-N 1 1 341.402 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cncc(OC)n2)C1 ZINC001042962404 781105103 /nfs/dbraw/zinc/10/51/03/781105103.db2.gz HBGZKYIVRPNRDL-INIZCTEOSA-N 1 1 343.431 0.225 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cncc(OC)n2)C1 ZINC001042962404 781105106 /nfs/dbraw/zinc/10/51/06/781105106.db2.gz HBGZKYIVRPNRDL-INIZCTEOSA-N 1 1 343.431 0.225 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001042973883 781122369 /nfs/dbraw/zinc/12/23/69/781122369.db2.gz CWYDBNWRXOHEBD-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnsn3)C2)C1=O ZINC001079455847 781139337 /nfs/dbraw/zinc/13/93/37/781139337.db2.gz CSMMLDSOMCDOMB-RAIGVLPGSA-N 1 1 335.433 0.375 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnsn3)C2)C1=O ZINC001079455847 781139339 /nfs/dbraw/zinc/13/93/39/781139339.db2.gz CSMMLDSOMCDOMB-RAIGVLPGSA-N 1 1 335.433 0.375 20 30 ECEDMO C=CCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001079472430 781156883 /nfs/dbraw/zinc/15/68/83/781156883.db2.gz SDPFCJCJUFYLRI-GDBMZVCRSA-N 1 1 335.448 0.875 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 ZINC001043023774 781204114 /nfs/dbraw/zinc/20/41/14/781204114.db2.gz QFAJLKQDULVAQV-UONOGXRCSA-N 1 1 336.436 0.098 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001079530703 781229267 /nfs/dbraw/zinc/22/92/67/781229267.db2.gz OZGVLRDSTPOQSO-YUELXQCFSA-N 1 1 344.415 0.624 20 30 ECEDMO C=CCOCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079552644 781257794 /nfs/dbraw/zinc/25/77/94/781257794.db2.gz IESKEYYVDTZEIJ-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001043067546 781267872 /nfs/dbraw/zinc/26/78/72/781267872.db2.gz FDEPLBNWRSCNQV-UHFFFAOYSA-N 1 1 325.453 0.618 20 30 ECEDMO C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588215 781290190 /nfs/dbraw/zinc/29/01/90/781290190.db2.gz CGPGGCUEVKDXLX-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588215 781290197 /nfs/dbraw/zinc/29/01/97/781290197.db2.gz CGPGGCUEVKDXLX-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3nc(OC)cc(OC)n3)C2)C1 ZINC001041413893 781456773 /nfs/dbraw/zinc/45/67/73/781456773.db2.gz XEYAWLFXRIPGQH-KRWDZBQOSA-N 1 1 330.388 0.665 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001077679140 781493007 /nfs/dbraw/zinc/49/30/07/781493007.db2.gz HZTFYKUZISWPFQ-HZPDHXFCSA-N 1 1 345.447 0.818 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1O ZINC001077694441 781530710 /nfs/dbraw/zinc/53/07/10/781530710.db2.gz SFYZMXYCSGRYFS-SYQHCUMBSA-N 1 1 337.445 0.704 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1O ZINC001077694441 781530714 /nfs/dbraw/zinc/53/07/14/781530714.db2.gz SFYZMXYCSGRYFS-SYQHCUMBSA-N 1 1 337.445 0.704 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451320 781544202 /nfs/dbraw/zinc/54/42/02/781544202.db2.gz KCHHAVAWZYLFES-ZBFHGGJFSA-N 1 1 326.462 0.922 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041483734 781607323 /nfs/dbraw/zinc/60/73/23/781607323.db2.gz SYAIDLLJOCFYFI-JTDSTZFVSA-N 1 1 347.459 0.747 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001077757211 781653416 /nfs/dbraw/zinc/65/34/16/781653416.db2.gz ZGUBAETUYABUIR-IAGOWNOFSA-N 1 1 328.412 0.911 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001077757211 781653419 /nfs/dbraw/zinc/65/34/19/781653419.db2.gz ZGUBAETUYABUIR-IAGOWNOFSA-N 1 1 328.412 0.911 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001041545748 781741939 /nfs/dbraw/zinc/74/19/39/781741939.db2.gz XTKKSLIDRZZPLM-KRWDZBQOSA-N 1 1 333.436 0.745 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001041545748 781741944 /nfs/dbraw/zinc/74/19/44/781741944.db2.gz XTKKSLIDRZZPLM-KRWDZBQOSA-N 1 1 333.436 0.745 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2noc3ccc(F)cc23)C1 ZINC001077823146 781761028 /nfs/dbraw/zinc/76/10/28/781761028.db2.gz XYVSKELOIKSUMH-HUUCEWRRSA-N 1 1 331.347 0.694 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001077826511 781766729 /nfs/dbraw/zinc/76/67/29/781766729.db2.gz KGEDVJGPUFUVPI-CHWSQXEVSA-N 1 1 331.376 0.176 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001077835297 781793291 /nfs/dbraw/zinc/79/32/91/781793291.db2.gz HZKAIAZNQUCBAQ-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001077850828 781817116 /nfs/dbraw/zinc/81/71/16/781817116.db2.gz MNVLZJWZNWPQKB-HUUCEWRRSA-N 1 1 325.372 0.270 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001077850828 781817126 /nfs/dbraw/zinc/81/71/26/781817126.db2.gz MNVLZJWZNWPQKB-HUUCEWRRSA-N 1 1 325.372 0.270 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001077883250 781871413 /nfs/dbraw/zinc/87/14/13/781871413.db2.gz MOKMKOLVVBAWIO-GRDNDAEWSA-N 1 1 325.453 0.809 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(c3ccncc3C#N)CCCO2)C1 ZINC001039915381 783275665 /nfs/dbraw/zinc/27/56/65/783275665.db2.gz QMKJAJNVEWNJLE-GOEBONIOSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(c3ccc(C#N)nn3)CCCO2)C1 ZINC001039915366 783275894 /nfs/dbraw/zinc/27/58/94/783275894.db2.gz QEDQUSCTLRYROB-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO N#CCN1CCC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001040712409 783314390 /nfs/dbraw/zinc/31/43/90/783314390.db2.gz IYINSGQCBSXFMY-HZPDHXFCSA-N 1 1 332.448 0.688 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040728187 783338436 /nfs/dbraw/zinc/33/84/36/783338436.db2.gz XNCXPJSAFAKGGW-QGZVFWFLSA-N 1 1 334.420 0.627 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 ZINC001040767217 783395425 /nfs/dbraw/zinc/39/54/25/783395425.db2.gz WUPZMAHOZNEUBC-DYVFJYSZSA-N 1 1 347.419 0.246 20 30 ECEDMO CC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001037841077 783632615 /nfs/dbraw/zinc/63/26/15/783632615.db2.gz OKECRQYBWQQIBU-RISCZKNCSA-N 1 1 342.407 0.440 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@@H]1n1ccnn1 ZINC001070261024 783760827 /nfs/dbraw/zinc/76/08/27/783760827.db2.gz YXYREJXRFXNCHM-CABCVRRESA-N 1 1 342.403 0.221 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccccc2)C1 ZINC001038138978 783908093 /nfs/dbraw/zinc/90/80/93/783908093.db2.gz ZJDQJVQFAWQGEG-ZWKOTPCHSA-N 1 1 327.428 0.559 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccccc2)C1 ZINC001038138978 783908100 /nfs/dbraw/zinc/90/81/00/783908100.db2.gz ZJDQJVQFAWQGEG-ZWKOTPCHSA-N 1 1 327.428 0.559 20 30 ECEDMO C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN2CCCC2)CC1 ZINC001070382879 783920554 /nfs/dbraw/zinc/92/05/54/783920554.db2.gz WOUZIJZGUOCEOM-APWZRJJASA-N 1 1 346.475 0.191 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2nnc[nH]2)C1 ZINC001070387573 783935148 /nfs/dbraw/zinc/93/51/48/783935148.db2.gz XNKFRXQXNIDJOP-AWEZNQCLSA-N 1 1 340.387 0.606 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ncn[nH]2)C1 ZINC001070387573 783935156 /nfs/dbraw/zinc/93/51/56/783935156.db2.gz XNKFRXQXNIDJOP-AWEZNQCLSA-N 1 1 340.387 0.606 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ncn[nH]2)C1 ZINC001070387573 783935170 /nfs/dbraw/zinc/93/51/70/783935170.db2.gz XNKFRXQXNIDJOP-AWEZNQCLSA-N 1 1 340.387 0.606 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2nc[nH]n2)C1 ZINC001070387573 783935180 /nfs/dbraw/zinc/93/51/80/783935180.db2.gz XNKFRXQXNIDJOP-AWEZNQCLSA-N 1 1 340.387 0.606 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2nc[nH]n2)C1 ZINC001070387573 783935189 /nfs/dbraw/zinc/93/51/89/783935189.db2.gz XNKFRXQXNIDJOP-AWEZNQCLSA-N 1 1 340.387 0.606 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+]2CCCN2CCCC2=O)c[nH]1 ZINC001038167880 783942281 /nfs/dbraw/zinc/94/22/81/783942281.db2.gz JJORORUZVHUQRK-OAHLLOKOSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2CCCN2CCCC2=O)c[nH]1 ZINC001038167876 783943105 /nfs/dbraw/zinc/94/31/05/783943105.db2.gz JJORORUZVHUQRK-HNNXBMFYSA-N 1 1 329.404 0.703 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccnn2C)C1 ZINC001070397605 783961530 /nfs/dbraw/zinc/96/15/30/783961530.db2.gz FUPFEVVFJCUGFW-ZDUSSCGKSA-N 1 1 326.404 0.886 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nccnc2N)C1 ZINC001070400650 783970566 /nfs/dbraw/zinc/97/05/66/783970566.db2.gz ARVXCICNEHNBAY-GFCCVEGCSA-N 1 1 339.403 0.525 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nccnc2N)C1 ZINC001070400991 783971144 /nfs/dbraw/zinc/97/11/44/783971144.db2.gz HQFZAJGQCJRDOO-NSHDSACASA-N 1 1 327.392 0.687 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001070401463 783973034 /nfs/dbraw/zinc/97/30/34/783973034.db2.gz PNSUMMDYPOYOFP-LBPRGKRZSA-N 1 1 325.372 0.863 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001070403445 783979164 /nfs/dbraw/zinc/97/91/64/783979164.db2.gz SUCXPPOISUTZFU-WCQYABFASA-N 1 1 342.403 0.710 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnnn2C)C1 ZINC001070408039 783992224 /nfs/dbraw/zinc/99/22/24/783992224.db2.gz LQEFLMAQYUTGSR-GFCCVEGCSA-N 1 1 329.408 0.834 20 30 ECEDMO C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001070411038 784000501 /nfs/dbraw/zinc/00/05/01/784000501.db2.gz AXTCAHHACCEOEW-IJEWVQPXSA-N 1 1 329.448 0.789 20 30 ECEDMO C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001070411038 784000508 /nfs/dbraw/zinc/00/05/08/784000508.db2.gz AXTCAHHACCEOEW-IJEWVQPXSA-N 1 1 329.448 0.789 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001070412601 784005036 /nfs/dbraw/zinc/00/50/36/784005036.db2.gz FWKONQRTWFQULW-DZGCQCFKSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001070413195 784008056 /nfs/dbraw/zinc/00/80/56/784008056.db2.gz WKHISVUAMRCLKD-UKRRQHHQSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001070414458 784014863 /nfs/dbraw/zinc/01/48/63/784014863.db2.gz NLNZZHMSBGCTBR-UONOGXRCSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cncn2C)C1 ZINC001070415823 784017544 /nfs/dbraw/zinc/01/75/44/784017544.db2.gz DVHFQGCLWFYPCA-ZDUSSCGKSA-N 1 1 326.404 0.886 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001070420304 784029192 /nfs/dbraw/zinc/02/91/92/784029192.db2.gz VTJXCVMDAGTGHU-DZGCQCFKSA-N 1 1 345.447 0.918 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001070425745 784042326 /nfs/dbraw/zinc/04/23/26/784042326.db2.gz DNETYFHTDDPDBE-YUELXQCFSA-N 1 1 345.447 0.903 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(OC)nn2)C1 ZINC001070430870 784051685 /nfs/dbraw/zinc/05/16/85/784051685.db2.gz FXZJXFJTXIADDU-LBPRGKRZSA-N 1 1 340.387 0.561 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnc(OC)nc2)C1 ZINC001070432920 784057764 /nfs/dbraw/zinc/05/77/64/784057764.db2.gz VCWWDDPTSJZPMY-GFCCVEGCSA-N 1 1 340.387 0.561 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2OC)C1 ZINC001070432992 784058131 /nfs/dbraw/zinc/05/81/31/784058131.db2.gz XHYRXFSDXZWISJ-GFCCVEGCSA-N 1 1 342.403 0.504 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001070433751 784059797 /nfs/dbraw/zinc/05/97/97/784059797.db2.gz CPHPUDQJBGSPLF-CYBMUJFWSA-N 1 1 325.372 0.863 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001070434211 784061725 /nfs/dbraw/zinc/06/17/25/784061725.db2.gz PDNYGGCYIBLPFO-CABCVRRESA-N 1 1 345.447 0.870 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nonc2C)C1 ZINC001070435270 784064907 /nfs/dbraw/zinc/06/49/07/784064907.db2.gz BJCVFVBVQBSENE-LBPRGKRZSA-N 1 1 328.376 0.844 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)Cn1cccn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440498 784078193 /nfs/dbraw/zinc/07/81/93/784078193.db2.gz HCTHOUUDJSNGLQ-CQSZACIVSA-N 1 1 341.419 0.424 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)OCC=C)C1 ZINC001070904743 784086001 /nfs/dbraw/zinc/08/60/01/784086001.db2.gz BYWDPGVRXFZLDD-BBWFWOEESA-N 1 1 347.459 0.782 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)OCC=C)C1 ZINC001070904743 784086010 /nfs/dbraw/zinc/08/60/10/784086010.db2.gz BYWDPGVRXFZLDD-BBWFWOEESA-N 1 1 347.459 0.782 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cn(C)cn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444790 784095184 /nfs/dbraw/zinc/09/51/84/784095184.db2.gz WYJCAFAIIMDMGV-CYBMUJFWSA-N 1 1 341.419 0.574 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001070919148 784114221 /nfs/dbraw/zinc/11/42/21/784114221.db2.gz AAZVQZREWWRQJY-UPJWGTAASA-N 1 1 346.391 0.100 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001070919148 784114229 /nfs/dbraw/zinc/11/42/29/784114229.db2.gz AAZVQZREWWRQJY-UPJWGTAASA-N 1 1 346.391 0.100 20 30 ECEDMO Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cn(C)cn2)co1 ZINC001070476201 784158361 /nfs/dbraw/zinc/15/83/61/784158361.db2.gz BTFXOXGTGHPBCX-HZUKXOBISA-N 1 1 342.403 0.960 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)c2C)CC1 ZINC001070936933 784160294 /nfs/dbraw/zinc/16/02/94/784160294.db2.gz ANVZGALVJQIXPA-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)c2C)CC1 ZINC001070936933 784160300 /nfs/dbraw/zinc/16/03/00/784160300.db2.gz ANVZGALVJQIXPA-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)COC)C1 ZINC001070549737 784258383 /nfs/dbraw/zinc/25/83/83/784258383.db2.gz CGNALSOEMKIIFH-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)COC)C1 ZINC001070549737 784258393 /nfs/dbraw/zinc/25/83/93/784258393.db2.gz CGNALSOEMKIIFH-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001070972672 784279929 /nfs/dbraw/zinc/27/99/29/784279929.db2.gz FVORIAPZYQWRFY-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@H]2OC)CC1 ZINC001070976509 784292050 /nfs/dbraw/zinc/29/20/50/784292050.db2.gz GLEHHPVPZCRGFO-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@H]2OC)CC1 ZINC001070976509 784292057 /nfs/dbraw/zinc/29/20/57/784292057.db2.gz GLEHHPVPZCRGFO-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(C)ccc2=O)CC1 ZINC001070979101 784303011 /nfs/dbraw/zinc/30/30/11/784303011.db2.gz STTZMJYUYUBBPT-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C)ccc2=O)CC1 ZINC001070979101 784303017 /nfs/dbraw/zinc/30/30/17/784303017.db2.gz STTZMJYUYUBBPT-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccon2)CC1 ZINC001070980280 784307346 /nfs/dbraw/zinc/30/73/46/784307346.db2.gz YWGSSSMZCMNMGK-UHFFFAOYSA-N 1 1 334.420 0.834 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccon2)CC1 ZINC001070980280 784307355 /nfs/dbraw/zinc/30/73/55/784307355.db2.gz YWGSSSMZCMNMGK-UHFFFAOYSA-N 1 1 334.420 0.834 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070993106 784346841 /nfs/dbraw/zinc/34/68/41/784346841.db2.gz MAXMOZKCUWLUKI-LSDHHAIUSA-N 1 1 334.420 0.890 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001071000081 784369991 /nfs/dbraw/zinc/36/99/91/784369991.db2.gz MXRGDKDZZURUJZ-CVEARBPZSA-N 1 1 336.480 0.411 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001071000081 784370000 /nfs/dbraw/zinc/37/00/00/784370000.db2.gz MXRGDKDZZURUJZ-CVEARBPZSA-N 1 1 336.480 0.411 20 30 ECEDMO C=CCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001070593350 784400891 /nfs/dbraw/zinc/40/08/91/784400891.db2.gz ZLRVXHCWRPQRPR-KGLIPLIRSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070593350 784400897 /nfs/dbraw/zinc/40/08/97/784400897.db2.gz ZLRVXHCWRPQRPR-KGLIPLIRSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070593350 784400904 /nfs/dbraw/zinc/40/09/04/784400904.db2.gz ZLRVXHCWRPQRPR-KGLIPLIRSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070593350 784400908 /nfs/dbraw/zinc/40/09/08/784400908.db2.gz ZLRVXHCWRPQRPR-KGLIPLIRSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001070593350 784400915 /nfs/dbraw/zinc/40/09/15/784400915.db2.gz ZLRVXHCWRPQRPR-KGLIPLIRSA-N 1 1 348.451 0.322 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCCN2C)n1 ZINC001070596012 784406581 /nfs/dbraw/zinc/40/65/81/784406581.db2.gz UOUPCKUWXLFOOD-HRCADAONSA-N 1 1 345.447 0.638 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC001071014242 784414892 /nfs/dbraw/zinc/41/48/92/784414892.db2.gz FUCKCSLDXMCAEP-QAPCUYQASA-N 1 1 333.432 0.087 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC001071014242 784414895 /nfs/dbraw/zinc/41/48/95/784414895.db2.gz FUCKCSLDXMCAEP-QAPCUYQASA-N 1 1 333.432 0.087 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc[nH]n2)n1 ZINC001070605311 784425193 /nfs/dbraw/zinc/42/51/93/784425193.db2.gz GXRVBRHSONOIEG-NWDGAFQWSA-N 1 1 331.380 0.529 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)[C@@H]2CCCO2)CC1 ZINC001071017277 784429897 /nfs/dbraw/zinc/42/98/97/784429897.db2.gz OXXQOLGFNIKGIL-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)[C@@H]2CCCO2)CC1 ZINC001071017277 784429904 /nfs/dbraw/zinc/42/99/04/784429904.db2.gz OXXQOLGFNIKGIL-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC001071022891 784447773 /nfs/dbraw/zinc/44/77/73/784447773.db2.gz GVFGFHLVGFTLCQ-UHFFFAOYSA-N 1 1 347.463 0.808 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[C@@H]2OC)CC1 ZINC001071022945 784448428 /nfs/dbraw/zinc/44/84/28/784448428.db2.gz JNVZJHYCZOVPNJ-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[C@@H]2OC)CC1 ZINC001071022945 784448430 /nfs/dbraw/zinc/44/84/30/784448430.db2.gz JNVZJHYCZOVPNJ-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 ZINC001071066485 784507628 /nfs/dbraw/zinc/50/76/28/784507628.db2.gz NXBCTRVJQZZJIN-ZACQAIPSSA-N 1 1 334.464 0.980 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001070672980 784531035 /nfs/dbraw/zinc/53/10/35/784531035.db2.gz UJKKBDQNVCHGBP-PBHICJAKSA-N 1 1 325.453 0.763 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@H](C)O2 ZINC001071134206 784577944 /nfs/dbraw/zinc/57/79/44/784577944.db2.gz OEWOZSNKZURVIK-YJBOKZPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc(C)cn1)C[C@H](C)O2 ZINC001071138575 784584918 /nfs/dbraw/zinc/58/49/18/784584918.db2.gz HDGBGZRBFDRJQA-WMZOPIPTSA-N 1 1 330.432 0.907 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071154749 784617172 /nfs/dbraw/zinc/61/71/72/784617172.db2.gz PFZXTNYMJXVQSG-DYVFJYSZSA-N 1 1 332.404 0.574 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001070731480 784620329 /nfs/dbraw/zinc/62/03/29/784620329.db2.gz BHAOKRLKETUBOI-LSDHHAIUSA-N 1 1 332.404 0.337 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)C[C@@H](C)O2 ZINC001071159524 784625895 /nfs/dbraw/zinc/62/58/95/784625895.db2.gz NGDDJKIEGRILPB-WBVHZDCISA-N 1 1 331.420 0.383 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnnn1CC)C[C@@H](C)O2 ZINC001071159301 784625903 /nfs/dbraw/zinc/62/59/03/784625903.db2.gz KEYZZWYKDLAEEI-PBHICJAKSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc(C)o1)C[C@@H](C)O2 ZINC001071165210 784639406 /nfs/dbraw/zinc/63/94/06/784639406.db2.gz ZGYQGTHLLCXRRK-DYVFJYSZSA-N 1 1 332.404 0.636 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@@H](C)O2 ZINC001071176479 784666830 /nfs/dbraw/zinc/66/68/30/784666830.db2.gz WFXPEGFCZOTTKT-KDOFPFPSSA-N 1 1 344.415 0.604 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1[nH]c(=O)[nH]c1C)C[C@@H](C)O2 ZINC001071178066 784671611 /nfs/dbraw/zinc/67/16/11/784671611.db2.gz KHSKVQQRKKHMSK-PXAZEXFGSA-N 1 1 332.404 0.752 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1CC)C[C@H](C)O2 ZINC001071178228 784671625 /nfs/dbraw/zinc/67/16/25/784671625.db2.gz MFWRZBZDHIWNRE-KSSFIOAISA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1CC)C[C@H](C)O2 ZINC001071178228 784671630 /nfs/dbraw/zinc/67/16/30/784671630.db2.gz MFWRZBZDHIWNRE-KSSFIOAISA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)CCOC)C1 ZINC001070771486 784677195 /nfs/dbraw/zinc/67/71/95/784677195.db2.gz BDVWJOTYSBZZAN-BBWFWOEESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)CCOC)C1 ZINC001070771486 784677202 /nfs/dbraw/zinc/67/72/02/784677202.db2.gz BDVWJOTYSBZZAN-BBWFWOEESA-N 1 1 349.475 0.864 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCNC1=O)C[C@H](C)O2 ZINC001071182930 784682914 /nfs/dbraw/zinc/68/29/14/784682914.db2.gz GMZYSESILHKYQJ-WMLDXEAASA-N 1 1 336.436 0.280 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071190330 784697974 /nfs/dbraw/zinc/69/79/74/784697974.db2.gz XJWYFTSYRRPQLO-KXBFYZLASA-N 1 1 343.427 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@H](C)O2 ZINC001071190353 784698262 /nfs/dbraw/zinc/69/82/62/784698262.db2.gz YCLIAQNFYIGUHE-KSSFIOAISA-N 1 1 346.431 0.757 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@H](C)O2 ZINC001071191619 784701694 /nfs/dbraw/zinc/70/16/94/784701694.db2.gz HMSFHBKGIZENPA-KSSFIOAISA-N 1 1 346.431 0.662 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccc(=O)[nH]c1)C[C@H](C)O2 ZINC001071192025 784704141 /nfs/dbraw/zinc/70/41/41/784704141.db2.gz LHSGBAHJEUTMNJ-KBXCAEBGSA-N 1 1 329.400 0.655 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@H](C)O2 ZINC001071194448 784709217 /nfs/dbraw/zinc/70/92/17/784709217.db2.gz JJUXUDLBOJBQSG-YJBOKZPZSA-N 1 1 345.447 0.556 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@@H](C)O2 ZINC001071200530 784721847 /nfs/dbraw/zinc/72/18/47/784721847.db2.gz YNXRDVHKPOLTRG-KDOFPFPSSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@@H](C)O2 ZINC001071201219 784723440 /nfs/dbraw/zinc/72/34/40/784723440.db2.gz AKJVSWWWOSFPID-PXAZEXFGSA-N 1 1 330.388 0.429 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001071206992 784737323 /nfs/dbraw/zinc/73/73/23/784737323.db2.gz SSFPVGUZVMXHPT-BDJLRTHQSA-N 1 1 348.428 0.297 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001071206992 784737327 /nfs/dbraw/zinc/73/73/27/784737327.db2.gz SSFPVGUZVMXHPT-BDJLRTHQSA-N 1 1 348.428 0.297 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@@H](C)O2 ZINC001071208968 784739610 /nfs/dbraw/zinc/73/96/10/784739610.db2.gz CAUBFAIGGFXXLH-PBHICJAKSA-N 1 1 331.420 0.073 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@H](C)O2 ZINC001071209709 784742560 /nfs/dbraw/zinc/74/25/60/784742560.db2.gz OILHIWRKWPOYGD-SJCJKPOMSA-N 1 1 332.404 0.605 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)N1CCOCC1)C[C@H](C)O2 ZINC001071218382 784762515 /nfs/dbraw/zinc/76/25/15/784762515.db2.gz MZOLFVKKIIOGIP-LPHOPBHVSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CCC=C)nn1)C[C@@H](C)O2 ZINC001071219670 784764406 /nfs/dbraw/zinc/76/44/06/784764406.db2.gz WVDKOLUBHUVWAI-QAPCUYQASA-N 1 1 343.431 0.793 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CCC=C)nn1)C[C@@H](C)O2 ZINC001071219670 784764414 /nfs/dbraw/zinc/76/44/14/784764414.db2.gz WVDKOLUBHUVWAI-QAPCUYQASA-N 1 1 343.431 0.793 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@H](C)O2 ZINC001071219788 784766596 /nfs/dbraw/zinc/76/65/96/784766596.db2.gz YHQFQGMPBZSLQA-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cnnn1)C[C@@H](C)O2 ZINC001071222431 784774691 /nfs/dbraw/zinc/77/46/91/784774691.db2.gz BWJGXOGHFDQWIW-NVXWUHKLSA-N 1 1 348.451 0.721 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@@H](C)O2 ZINC001071227182 784785236 /nfs/dbraw/zinc/78/52/36/784785236.db2.gz ANEHONXHDJKSTA-CXAGYDPISA-N 1 1 332.404 0.977 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nc(C)ccc1=O)C[C@@H](C)O2 ZINC001071229799 784791230 /nfs/dbraw/zinc/79/12/30/784791230.db2.gz ACDLZTSBROOLHA-QAPCUYQASA-N 1 1 346.431 0.430 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@H](C)O2 ZINC001071233470 784798337 /nfs/dbraw/zinc/79/83/37/784798337.db2.gz JNGCGSFSNBZJQT-KSSFIOAISA-N 1 1 346.431 0.757 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1C(=O)CCC1=O)C[C@H](C)O2 ZINC001071239122 784810557 /nfs/dbraw/zinc/81/05/57/784810557.db2.gz WNHITXKOEWTHSZ-GUYCJALGSA-N 1 1 335.404 0.013 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1noc3c1COCC3)C[C@@H](C)O2 ZINC001071244019 784820461 /nfs/dbraw/zinc/82/04/61/784820461.db2.gz OMENDRBIBSINEG-FZKQIMNGSA-N 1 1 345.399 0.686 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1noc3c1COCC3)C[C@@H](C)O2 ZINC001071244019 784820469 /nfs/dbraw/zinc/82/04/69/784820469.db2.gz OMENDRBIBSINEG-FZKQIMNGSA-N 1 1 345.399 0.686 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@@H](C)O2 ZINC001071243860 784820977 /nfs/dbraw/zinc/82/09/77/784820977.db2.gz MEKGULGFMMZNQL-QAPCUYQASA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@H](C)O2 ZINC001071243861 784821073 /nfs/dbraw/zinc/82/10/73/784821073.db2.gz MEKGULGFMMZNQL-YJBOKZPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(C(N)=O)n1)C[C@H](C)O2 ZINC001071245807 784825663 /nfs/dbraw/zinc/82/56/63/784825663.db2.gz JYKMRYRVNZGTCZ-UGSOOPFHSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)C[C@H](C)O2 ZINC001071245734 784826349 /nfs/dbraw/zinc/82/63/49/784826349.db2.gz IUNRVEQQQYCCPT-SCLBCKFNSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@H](C)O2 ZINC001071248909 784833553 /nfs/dbraw/zinc/83/35/53/784833553.db2.gz VMJIMOMLSFBYTP-YOEHRIQHSA-N 1 1 331.420 0.073 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C(=O)C1 ZINC001071265768 784889829 /nfs/dbraw/zinc/88/98/29/784889829.db2.gz SLJYYCVKIRNPNZ-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3n[nH]cc3F)C2)C(=O)C1 ZINC001071272597 784907540 /nfs/dbraw/zinc/90/75/40/784907540.db2.gz RZAQHXPYPBAESY-ZDUSSCGKSA-N 1 1 349.410 0.874 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3n[nH]cc3F)C2)C(=O)C1 ZINC001071272597 784907543 /nfs/dbraw/zinc/90/75/43/784907543.db2.gz RZAQHXPYPBAESY-ZDUSSCGKSA-N 1 1 349.410 0.874 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)N3CCC3)C2)c1 ZINC001071813652 785145422 /nfs/dbraw/zinc/14/54/22/785145422.db2.gz CTBHQGDDJGSNPR-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001071813652 785145425 /nfs/dbraw/zinc/14/54/25/785145425.db2.gz CTBHQGDDJGSNPR-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071548503 785283821 /nfs/dbraw/zinc/28/38/21/785283821.db2.gz HCTUEVDWESCIER-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C ZINC001071548506 785283831 /nfs/dbraw/zinc/28/38/31/785283831.db2.gz HCTUEVDWESCIER-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071548241 785284059 /nfs/dbraw/zinc/28/40/59/785284059.db2.gz CIGYXMUJEPKARE-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C ZINC001071549020 785285333 /nfs/dbraw/zinc/28/53/33/785285333.db2.gz NGJOPXDHEKUFTO-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001068764335 791099023 /nfs/dbraw/zinc/09/90/23/791099023.db2.gz OIZKDEGIQJTXQR-AWEZNQCLSA-N 1 1 339.436 0.017 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071658826 785465208 /nfs/dbraw/zinc/46/52/08/785465208.db2.gz PXRMJSAMUJZMED-YPMHNXCESA-N 1 1 335.433 0.411 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3sccn3c2=O)CC[C@@H]1C ZINC001071662375 785475733 /nfs/dbraw/zinc/47/57/33/785475733.db2.gz CGZLFRTUGVOSKG-RYUDHWBXSA-N 1 1 330.413 0.972 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)CC[C@@H]1C ZINC001071694776 785540636 /nfs/dbraw/zinc/54/06/36/785540636.db2.gz JQUAGHJFDAIPOZ-JSGCOSHPSA-N 1 1 326.404 0.969 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)CC[C@@H]1C ZINC001071694776 785540640 /nfs/dbraw/zinc/54/06/40/785540640.db2.gz JQUAGHJFDAIPOZ-JSGCOSHPSA-N 1 1 326.404 0.969 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@H]1C ZINC001071701542 785554740 /nfs/dbraw/zinc/55/47/40/785554740.db2.gz KRXBTEVSWSKFPH-ZIAGYGMSSA-N 1 1 341.415 0.937 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@H]1C ZINC001071701542 785554747 /nfs/dbraw/zinc/55/47/47/785554747.db2.gz KRXBTEVSWSKFPH-ZIAGYGMSSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@@H]1C ZINC001071700968 785554978 /nfs/dbraw/zinc/55/49/78/785554978.db2.gz AETBESJCHHLICX-UONOGXRCSA-N 1 1 339.403 0.663 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1C ZINC001072033772 785555670 /nfs/dbraw/zinc/55/56/70/785555670.db2.gz OTXHUYZSYDSRJZ-HIFRSBDPSA-N 1 1 335.452 0.826 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001072096609 785662015 /nfs/dbraw/zinc/66/20/15/785662015.db2.gz BMHIZGGFOHRBLV-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@H]1C ZINC001072099052 785667654 /nfs/dbraw/zinc/66/76/54/785667654.db2.gz KPRFGQPYMMBIDE-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@H](NC(=O)CC[NH+](C)C)[C@@H](C)C2)CC1 ZINC001072275955 785949162 /nfs/dbraw/zinc/94/91/62/785949162.db2.gz PUWOCYDKWSQANJ-RDJZCZTQSA-N 1 1 348.491 0.246 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4ccc[nH]4)C3)C2)C1=O ZINC001072466299 786224522 /nfs/dbraw/zinc/22/45/22/786224522.db2.gz VXJLFJNRQBMCFC-HNNXBMFYSA-N 1 1 328.416 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C2)nc1 ZINC001072468245 786225813 /nfs/dbraw/zinc/22/58/13/786225813.db2.gz RKQDVZIAMPAOTN-RHSMWYFYSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cnns4)C3)C2)C1=O ZINC001072514378 786311308 /nfs/dbraw/zinc/31/13/08/786311308.db2.gz AQIKKQDQZAMTQS-GFCCVEGCSA-N 1 1 347.444 0.473 20 30 ECEDMO COc1ncc(C[N@@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)c(C)n1 ZINC001072553020 786357795 /nfs/dbraw/zinc/35/77/95/786357795.db2.gz VHSRCEKVBVWHBQ-GFCCVEGCSA-N 1 1 329.404 0.988 20 30 ECEDMO COc1ncc(C[N@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)c(C)n1 ZINC001072553020 786357803 /nfs/dbraw/zinc/35/78/03/786357803.db2.gz VHSRCEKVBVWHBQ-GFCCVEGCSA-N 1 1 329.404 0.988 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC3(CN(C(=O)CC(N)=O)C3)C2)c1 ZINC001072565359 786373375 /nfs/dbraw/zinc/37/33/75/786373375.db2.gz VMDJGXNRJIMTPF-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC3(CN(C(=O)CC(N)=O)C3)C2)c1 ZINC001072565359 786373378 /nfs/dbraw/zinc/37/33/78/786373378.db2.gz VMDJGXNRJIMTPF-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@H]21 ZINC001074260149 786536088 /nfs/dbraw/zinc/53/60/88/786536088.db2.gz UJLMTQUYJSTETP-HUUCEWRRSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@H]21 ZINC001074260149 786536092 /nfs/dbraw/zinc/53/60/92/786536092.db2.gz UJLMTQUYJSTETP-HUUCEWRRSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCN1CCO[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001074281958 786582386 /nfs/dbraw/zinc/58/23/86/786582386.db2.gz KPLJEXPBXJTNSM-CVEARBPZSA-N 1 1 334.420 0.838 20 30 ECEDMO N#CCN1CCO[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC001074296723 786621412 /nfs/dbraw/zinc/62/14/12/786621412.db2.gz IGUOYEYAGFZAPF-IAGOWNOFSA-N 1 1 343.431 0.587 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)CCCO2)c1 ZINC001073568038 786631748 /nfs/dbraw/zinc/63/17/48/786631748.db2.gz HSGLAHOLZKTDPB-OAHLLOKOSA-N 1 1 342.403 0.604 20 30 ECEDMO C#CCCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001073572941 786648061 /nfs/dbraw/zinc/64/80/61/786648061.db2.gz QPDGMIBITQFKAA-MRXNPFEDSA-N 1 1 346.475 0.097 20 30 ECEDMO Cn1cc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001073574539 786654811 /nfs/dbraw/zinc/65/48/11/786654811.db2.gz VJCFTGWAIMEHQA-HNNXBMFYSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1cc(C[N@H+]2CCCO[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001073574539 786654815 /nfs/dbraw/zinc/65/48/15/786654815.db2.gz VJCFTGWAIMEHQA-HNNXBMFYSA-N 1 1 342.403 0.641 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 ZINC001074325088 786678007 /nfs/dbraw/zinc/67/80/07/786678007.db2.gz VRFGLNCIIKZBLS-HUUCEWRRSA-N 1 1 332.404 0.651 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 ZINC001074325088 786678009 /nfs/dbraw/zinc/67/80/09/786678009.db2.gz VRFGLNCIIKZBLS-HUUCEWRRSA-N 1 1 332.404 0.651 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001073584799 786690190 /nfs/dbraw/zinc/69/01/90/786690190.db2.gz MEJKKRJEBCTMFQ-HNNXBMFYSA-N 1 1 349.479 0.233 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074340509 786709793 /nfs/dbraw/zinc/70/97/93/786709793.db2.gz JUTFAUWZQSWHAN-HZPDHXFCSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074340509 786709797 /nfs/dbraw/zinc/70/97/97/786709797.db2.gz JUTFAUWZQSWHAN-HZPDHXFCSA-N 1 1 346.431 0.995 20 30 ECEDMO C=CCCCC(=O)N1CCN(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001073596722 786731656 /nfs/dbraw/zinc/73/16/56/786731656.db2.gz DUUKSXUQSDTZTF-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001073596723 786731957 /nfs/dbraw/zinc/73/19/57/786731957.db2.gz DUUKSXUQSDTZTF-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001074357319 786747042 /nfs/dbraw/zinc/74/70/42/786747042.db2.gz YNLFDWDMYYYDKT-GJZGRUSLSA-N 1 1 349.431 0.307 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001074357319 786747052 /nfs/dbraw/zinc/74/70/52/786747052.db2.gz YNLFDWDMYYYDKT-GJZGRUSLSA-N 1 1 349.431 0.307 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001073601368 786748218 /nfs/dbraw/zinc/74/82/18/786748218.db2.gz CXRAVSCWBOPKRO-INIZCTEOSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn(CCOC)nc2C)C1 ZINC001073602427 786751287 /nfs/dbraw/zinc/75/12/87/786751287.db2.gz XLMVHDJYTMVDIC-MRXNPFEDSA-N 1 1 348.447 0.682 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001073605437 786760286 /nfs/dbraw/zinc/76/02/86/786760286.db2.gz KPMQAJCNQZKTGX-WMLDXEAASA-N 1 1 345.447 0.630 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001073605437 786760290 /nfs/dbraw/zinc/76/02/90/786760290.db2.gz KPMQAJCNQZKTGX-WMLDXEAASA-N 1 1 345.447 0.630 20 30 ECEDMO C=CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001073623253 786791796 /nfs/dbraw/zinc/79/17/96/786791796.db2.gz CCODMKDVELRYBN-CYBMUJFWSA-N 1 1 342.399 0.930 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001073623253 786791803 /nfs/dbraw/zinc/79/18/03/786791803.db2.gz CCODMKDVELRYBN-CYBMUJFWSA-N 1 1 342.399 0.930 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625218 786797279 /nfs/dbraw/zinc/79/72/79/786797279.db2.gz CLTZIWRVXYAEIX-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001073630139 786812728 /nfs/dbraw/zinc/81/27/28/786812728.db2.gz OCMYIJVPWHNHTP-HNNXBMFYSA-N 1 1 330.388 0.494 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001073630139 786812737 /nfs/dbraw/zinc/81/27/37/786812737.db2.gz OCMYIJVPWHNHTP-HNNXBMFYSA-N 1 1 330.388 0.494 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001073629983 786813407 /nfs/dbraw/zinc/81/34/07/786813407.db2.gz KFNFUNCFCBIVTE-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001073630226 786813591 /nfs/dbraw/zinc/81/35/91/786813591.db2.gz PUPINKLHLXNONG-OAHLLOKOSA-N 1 1 342.403 0.669 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073630371 786815945 /nfs/dbraw/zinc/81/59/45/786815945.db2.gz TYQGVKOSAXFPJJ-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001073630630 786817067 /nfs/dbraw/zinc/81/70/67/786817067.db2.gz AEFFIXQIHUDGBP-CQSZACIVSA-N 1 1 333.436 0.877 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001073630630 786817078 /nfs/dbraw/zinc/81/70/78/786817078.db2.gz AEFFIXQIHUDGBP-CQSZACIVSA-N 1 1 333.436 0.877 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001073631835 786820792 /nfs/dbraw/zinc/82/07/92/786820792.db2.gz UGSYYFPHXIVNTC-GFCCVEGCSA-N 1 1 328.376 0.197 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001073631400 786820874 /nfs/dbraw/zinc/82/08/74/786820874.db2.gz QKHIXSAFZUMWFT-OAHLLOKOSA-N 1 1 346.431 0.818 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001073631400 786820881 /nfs/dbraw/zinc/82/08/81/786820881.db2.gz QKHIXSAFZUMWFT-OAHLLOKOSA-N 1 1 346.431 0.818 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001073645384 786861333 /nfs/dbraw/zinc/86/13/33/786861333.db2.gz LKQALNVFXIDPPG-HOTGVXAUSA-N 1 1 345.447 0.839 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001073654292 786881567 /nfs/dbraw/zinc/88/15/67/786881567.db2.gz DIYIPOLJUHPXBN-HUUCEWRRSA-N 1 1 348.447 0.851 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC001074408237 786888505 /nfs/dbraw/zinc/88/85/05/786888505.db2.gz SIBYGNUSMPKRCL-HOTGVXAUSA-N 1 1 331.416 0.726 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC001074408237 786888519 /nfs/dbraw/zinc/88/85/19/786888519.db2.gz SIBYGNUSMPKRCL-HOTGVXAUSA-N 1 1 331.416 0.726 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001073660578 786902124 /nfs/dbraw/zinc/90/21/24/786902124.db2.gz JNOPZWFFOFAYEX-AWEZNQCLSA-N 1 1 334.420 0.810 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001073660561 786903020 /nfs/dbraw/zinc/90/30/20/786903020.db2.gz IPJXJHQBNVWHEZ-IAGOWNOFSA-N 1 1 344.459 0.984 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCO[C@H](CNC(=O)c3cn[nH]n3)C2)cc1 ZINC001073674490 786939199 /nfs/dbraw/zinc/93/91/99/786939199.db2.gz DXOSAEHZDIVKHL-OAHLLOKOSA-N 1 1 340.387 0.697 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001073684352 786966635 /nfs/dbraw/zinc/96/66/35/786966635.db2.gz OOXZYRJAHSNPGR-GJZGRUSLSA-N 1 1 344.477 0.594 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001073709924 787020241 /nfs/dbraw/zinc/02/02/41/787020241.db2.gz LXSLZLWBQJQAEZ-HOTGVXAUSA-N 1 1 345.447 0.379 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)CCCO2)cc1 ZINC001073724481 787065520 /nfs/dbraw/zinc/06/55/20/787065520.db2.gz XBCIKCKAPDZWKN-QGZVFWFLSA-N 1 1 343.427 0.577 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCCO2)cc1 ZINC001073724481 787065530 /nfs/dbraw/zinc/06/55/30/787065530.db2.gz XBCIKCKAPDZWKN-QGZVFWFLSA-N 1 1 343.427 0.577 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001073726693 787069291 /nfs/dbraw/zinc/06/92/91/787069291.db2.gz PGYLJXZXCGTGHE-CQSZACIVSA-N 1 1 332.404 0.643 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001073745964 787111143 /nfs/dbraw/zinc/11/11/43/787111143.db2.gz LUTXBRJEOPXFJA-HUUCEWRRSA-N 1 1 330.432 0.680 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001073745964 787111147 /nfs/dbraw/zinc/11/11/47/787111147.db2.gz LUTXBRJEOPXFJA-HUUCEWRRSA-N 1 1 330.432 0.680 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001073745965 787111885 /nfs/dbraw/zinc/11/18/85/787111885.db2.gz LUTXBRJEOPXFJA-LSDHHAIUSA-N 1 1 330.432 0.680 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001073745965 787111889 /nfs/dbraw/zinc/11/18/89/787111889.db2.gz LUTXBRJEOPXFJA-LSDHHAIUSA-N 1 1 330.432 0.680 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001073746014 787111988 /nfs/dbraw/zinc/11/19/88/787111988.db2.gz MQNUBJSJZYGAFP-RDJZCZTQSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001073746014 787111991 /nfs/dbraw/zinc/11/19/91/787111991.db2.gz MQNUBJSJZYGAFP-RDJZCZTQSA-N 1 1 330.432 0.594 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001073748620 787121559 /nfs/dbraw/zinc/12/15/59/787121559.db2.gz IVLIMMOLBZNUDX-UONOGXRCSA-N 1 1 331.420 0.455 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001073748620 787121571 /nfs/dbraw/zinc/12/15/71/787121571.db2.gz IVLIMMOLBZNUDX-UONOGXRCSA-N 1 1 331.420 0.455 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001073748620 787121574 /nfs/dbraw/zinc/12/15/74/787121574.db2.gz IVLIMMOLBZNUDX-UONOGXRCSA-N 1 1 331.420 0.455 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001073766340 787161354 /nfs/dbraw/zinc/16/13/54/787161354.db2.gz CBIADWPFWCHECZ-CYBMUJFWSA-N 1 1 334.420 0.901 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001073766327 787161553 /nfs/dbraw/zinc/16/15/53/787161553.db2.gz BTQDCGXOTATZOX-ZDUSSCGKSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001073766327 787161562 /nfs/dbraw/zinc/16/15/62/787161562.db2.gz BTQDCGXOTATZOX-ZDUSSCGKSA-N 1 1 327.388 0.422 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001073772212 787174298 /nfs/dbraw/zinc/17/42/98/787174298.db2.gz IGLPDHCKXQUGEP-AWEZNQCLSA-N 1 1 344.415 0.333 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001073781909 787191450 /nfs/dbraw/zinc/19/14/50/787191450.db2.gz RJHBPIYVJFXVST-IXDOHACOSA-N 1 1 330.432 0.754 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073810218 787242464 /nfs/dbraw/zinc/24/24/64/787242464.db2.gz MKKORZJZMSWNJH-IKGGRYGDSA-N 1 1 340.464 0.947 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001073816596 787252595 /nfs/dbraw/zinc/25/25/95/787252595.db2.gz DDNLTIQPTMCSAG-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO N#CCN1CCCO[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001073835221 787313347 /nfs/dbraw/zinc/31/33/47/787313347.db2.gz XGBDPKIWBKQMRU-INIZCTEOSA-N 1 1 340.387 0.612 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001073837630 787316641 /nfs/dbraw/zinc/31/66/41/787316641.db2.gz RJYOCYZROXKBJG-CQSZACIVSA-N 1 1 341.415 0.731 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001073837630 787316651 /nfs/dbraw/zinc/31/66/51/787316651.db2.gz RJYOCYZROXKBJG-CQSZACIVSA-N 1 1 341.415 0.731 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3cncn3)n2)C1 ZINC001073837799 787319788 /nfs/dbraw/zinc/31/97/88/787319788.db2.gz UOGOLAMUUDIMLO-AWEZNQCLSA-N 1 1 342.403 0.669 20 30 ECEDMO C[N@@H+](CC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1)C1CCC1 ZINC001074582269 787323023 /nfs/dbraw/zinc/32/30/23/787323023.db2.gz NITVTAQADVEVKX-UHFFFAOYSA-N 1 1 347.459 0.354 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nc[nH]c3C2)C1 ZINC001073848152 787348246 /nfs/dbraw/zinc/34/82/46/787348246.db2.gz QNZYXYQLNGETPZ-GJZGRUSLSA-N 1 1 330.432 0.745 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC001073848152 787348253 /nfs/dbraw/zinc/34/82/53/787348253.db2.gz QNZYXYQLNGETPZ-GJZGRUSLSA-N 1 1 330.432 0.745 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC001073848152 787348258 /nfs/dbraw/zinc/34/82/58/787348258.db2.gz QNZYXYQLNGETPZ-GJZGRUSLSA-N 1 1 330.432 0.745 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001073859704 787380662 /nfs/dbraw/zinc/38/06/62/787380662.db2.gz RJCXFIGQAIBPKB-KBPBESRZSA-N 1 1 331.420 0.140 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3ccc(C)nc23)C1 ZINC001073861718 787387311 /nfs/dbraw/zinc/38/73/11/787387311.db2.gz HKIHIRMRXOJDGS-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3ccc(C)nc23)C1 ZINC001073861718 787387322 /nfs/dbraw/zinc/38/73/22/787387322.db2.gz HKIHIRMRXOJDGS-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001073861946 787387837 /nfs/dbraw/zinc/38/78/37/787387837.db2.gz KMRQZXPWOYCRSS-CABCVRRESA-N 1 1 347.415 0.295 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@@H](CC)C(N)=O)CCCO2)cn1 ZINC001073865351 787400152 /nfs/dbraw/zinc/40/01/52/787400152.db2.gz GJYIAOUOWKRATC-HOTGVXAUSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)CCCO2)cn1 ZINC001073865351 787400157 /nfs/dbraw/zinc/40/01/57/787400157.db2.gz GJYIAOUOWKRATC-HOTGVXAUSA-N 1 1 344.415 0.148 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CCC=C)CC1 ZINC001074627565 787443363 /nfs/dbraw/zinc/44/33/63/787443363.db2.gz OMAYAJPEHOYRGS-INIZCTEOSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CCC=C)CC1 ZINC001074627565 787443365 /nfs/dbraw/zinc/44/33/65/787443365.db2.gz OMAYAJPEHOYRGS-INIZCTEOSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001073918510 787524785 /nfs/dbraw/zinc/52/47/85/787524785.db2.gz JAVQCPLGOFEKEL-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001074731363 787722328 /nfs/dbraw/zinc/72/23/28/787722328.db2.gz PDJZXIMKQFVLPN-CVEARBPZSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001074731649 787723484 /nfs/dbraw/zinc/72/34/84/787723484.db2.gz YMWPELCAKGNMIH-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001074091551 787860784 /nfs/dbraw/zinc/86/07/84/787860784.db2.gz YPOQGHUPSRUXRD-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ocnc4C)C3)C2)C1=O ZINC001072586113 788377370 /nfs/dbraw/zinc/37/73/70/788377370.db2.gz MOWJVSDKKVVVRC-CQSZACIVSA-N 1 1 344.415 0.918 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CC[N@@H+](CCN2CCCC2=O)C3)c[nH]1 ZINC001072644786 788493366 /nfs/dbraw/zinc/49/33/66/788493366.db2.gz OMOJIAJEHUIFJF-UHFFFAOYSA-N 1 1 341.415 0.657 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072645094 788494970 /nfs/dbraw/zinc/49/49/70/788494970.db2.gz ZNUWFWUGNDPITA-LBPRGKRZSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4COC(=O)N4)C3)C2)s1 ZINC001072686822 788593860 /nfs/dbraw/zinc/59/38/60/788593860.db2.gz XUTUAJMBBFHBKK-ZDUSSCGKSA-N 1 1 346.412 0.762 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C2)c1 ZINC001072706410 788624055 /nfs/dbraw/zinc/62/40/55/788624055.db2.gz MZDOCPLXJSXBOU-WMLDXEAASA-N 1 1 342.443 0.981 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC001072732492 788664059 /nfs/dbraw/zinc/66/40/59/788664059.db2.gz MKWDRWMIFLAINM-CQSZACIVSA-N 1 1 343.431 0.873 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001074992487 788682759 /nfs/dbraw/zinc/68/27/59/788682759.db2.gz FILPEKGSMQSOIX-HOTGVXAUSA-N 1 1 337.464 0.862 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CCN(C(=O)CSCC#N)CC1 ZINC001072887185 789030738 /nfs/dbraw/zinc/03/07/38/789030738.db2.gz UKJCCXUREPYFIX-CYBMUJFWSA-N 1 1 338.477 0.835 20 30 ECEDMO C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)c3[nH]nnc3C)CC2)C1 ZINC001075392755 789318833 /nfs/dbraw/zinc/31/88/33/789318833.db2.gz JVQYXVZTINWXEN-GJZGRUSLSA-N 1 1 331.420 0.736 20 30 ECEDMO C#CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001075413413 789339823 /nfs/dbraw/zinc/33/98/23/789339823.db2.gz NGGKLADVHHPQCI-ZBFHGGJFSA-N 1 1 346.431 0.748 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC001073055148 789358515 /nfs/dbraw/zinc/35/85/15/789358515.db2.gz YQLYCJPSOISWBK-UHFFFAOYSA-N 1 1 325.372 0.606 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3C2)cc1 ZINC001075531647 789462957 /nfs/dbraw/zinc/46/29/57/789462957.db2.gz VSPRPCNWJGRFOM-JKSUJKDBSA-N 1 1 337.387 0.278 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnsn4)[C@@H]3C2)C1=O ZINC001075583792 789530812 /nfs/dbraw/zinc/53/08/12/789530812.db2.gz IMJIGDOUWQDFLU-FPMFFAJLSA-N 1 1 347.444 0.471 20 30 ECEDMO CC1(NC(=O)C#CC2CC2)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001073155432 789542458 /nfs/dbraw/zinc/54/24/58/789542458.db2.gz FXSGGGJUYLIAKQ-UHFFFAOYSA-N 1 1 347.459 0.619 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001073158588 789550079 /nfs/dbraw/zinc/55/00/79/789550079.db2.gz IYEOWAYODHMXHS-UHFFFAOYSA-N 1 1 346.431 0.729 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2N(c2nccnc2C#N)CC3)C1 ZINC001069265335 789716161 /nfs/dbraw/zinc/71/61/61/789716161.db2.gz AFDYEVYMHPHYIR-JCKWVBRZSA-N 1 1 340.431 0.918 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3ccc(=O)n(CCCC)n3)C2)C1 ZINC001073420251 789814489 /nfs/dbraw/zinc/81/44/89/789814489.db2.gz UCRRCYXFKOJRMY-UHFFFAOYSA-N 1 1 328.416 0.825 20 30 ECEDMO Cc1ccc(C#N)c(NC2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001069719268 789986923 /nfs/dbraw/zinc/98/69/23/789986923.db2.gz IRXUUUQBTAFQSS-GPANFISMSA-N 1 1 343.431 0.994 20 30 ECEDMO Cc1ccc(C#N)c(NC2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001069719268 789986925 /nfs/dbraw/zinc/98/69/25/789986925.db2.gz IRXUUUQBTAFQSS-GPANFISMSA-N 1 1 343.431 0.994 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC(Nc2ncc(C#N)cc2F)C1 ZINC001069719086 789986964 /nfs/dbraw/zinc/98/69/64/789986964.db2.gz AEAOYPFUVILVPV-SSDMNJCBSA-N 1 1 347.394 0.824 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC(Nc2ncc(C#N)cc2F)C1 ZINC001069719086 789986969 /nfs/dbraw/zinc/98/69/69/789986969.db2.gz AEAOYPFUVILVPV-SSDMNJCBSA-N 1 1 347.394 0.824 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCc1cccc(N2CC[C@@H](NCC#N)C2)n1 ZINC001069838402 790070940 /nfs/dbraw/zinc/07/09/40/790070940.db2.gz WFNLKYYUKOAHRT-CVEARBPZSA-N 1 1 342.447 0.484 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)c2C1 ZINC001069864364 790119623 /nfs/dbraw/zinc/11/96/23/790119623.db2.gz LZXUQSVNWXSQTQ-HZPDHXFCSA-N 1 1 342.447 0.855 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](n2ccnn2)C1 ZINC001069898112 790166275 /nfs/dbraw/zinc/16/62/75/790166275.db2.gz YKUXYQNNQOJKPC-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907591 790176496 /nfs/dbraw/zinc/17/64/96/790176496.db2.gz DEQQXRVIZAEOTE-GLQYFDAESA-N 1 1 343.391 0.168 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001069908329 790177365 /nfs/dbraw/zinc/17/73/65/790177365.db2.gz RTOUVDRBTUIUCR-OAGGEKHMSA-N 1 1 331.420 0.602 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](n2ccnn2)C1 ZINC001069915292 790184548 /nfs/dbraw/zinc/18/45/48/790184548.db2.gz WIXJLTBSUTZOPN-CABCVRRESA-N 1 1 349.435 0.739 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069930038 790202734 /nfs/dbraw/zinc/20/27/34/790202734.db2.gz ZNTGJSGESJTOIE-HIFRSBDPSA-N 1 1 339.403 0.099 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069930038 790202738 /nfs/dbraw/zinc/20/27/38/790202738.db2.gz ZNTGJSGESJTOIE-HIFRSBDPSA-N 1 1 339.403 0.099 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069932278 790205216 /nfs/dbraw/zinc/20/52/16/790205216.db2.gz WXPHZSPBSAEGIC-CVEARBPZSA-N 1 1 341.419 0.102 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069942270 790218596 /nfs/dbraw/zinc/21/85/96/790218596.db2.gz ULFKWQVTLZHOAE-KFWWJZLASA-N 1 1 346.435 0.063 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069942270 790218598 /nfs/dbraw/zinc/21/85/98/790218598.db2.gz ULFKWQVTLZHOAE-KFWWJZLASA-N 1 1 346.435 0.063 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cnccc2C)[C@@H](n2ccnn2)C1 ZINC001069948248 790227667 /nfs/dbraw/zinc/22/76/67/790227667.db2.gz RMGXRUHYEPYOFT-SJORKVTESA-N 1 1 338.415 0.589 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cncc(COC)c2)[C@@H](n2ccnn2)C1 ZINC001069949204 790229057 /nfs/dbraw/zinc/22/90/57/790229057.db2.gz JHWSKQWIVIECAR-CVEARBPZSA-N 1 1 342.403 0.661 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cncc(COC)c2)[C@@H](n2ccnn2)C1 ZINC001069949204 790229061 /nfs/dbraw/zinc/22/90/61/790229061.db2.gz JHWSKQWIVIECAR-CVEARBPZSA-N 1 1 342.403 0.661 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962444 790246168 /nfs/dbraw/zinc/24/61/68/790246168.db2.gz WNBVACMJWFINJI-KFWWJZLASA-N 1 1 341.419 0.265 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962444 790246173 /nfs/dbraw/zinc/24/61/73/790246173.db2.gz WNBVACMJWFINJI-KFWWJZLASA-N 1 1 341.419 0.265 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001068858511 791278131 /nfs/dbraw/zinc/27/81/31/791278131.db2.gz FZBHMNFTYHDDRI-CVEARBPZSA-N 1 1 347.459 0.474 20 30 ECEDMO C=C(C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068890563 791351801 /nfs/dbraw/zinc/35/18/01/791351801.db2.gz XUPMGJFDXZEQSF-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)[C@H]1C ZINC001068921106 791424632 /nfs/dbraw/zinc/42/46/32/791424632.db2.gz NYULZEDBEUWWSL-OCCSQVGLSA-N 1 1 325.376 0.955 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068941250 791472830 /nfs/dbraw/zinc/47/28/30/791472830.db2.gz XOPSCPQSQADNOV-OAHLLOKOSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2cc(C)ncn2)C1 ZINC001066687468 791990753 /nfs/dbraw/zinc/99/07/53/791990753.db2.gz LFIMIFQXYMZJOM-HOTGVXAUSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2cc(C)ncn2)C1 ZINC001066687468 791990759 /nfs/dbraw/zinc/99/07/59/791990759.db2.gz LFIMIFQXYMZJOM-HOTGVXAUSA-N 1 1 343.431 0.522 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001066736742 792070807 /nfs/dbraw/zinc/07/08/07/792070807.db2.gz VHHBCEVHNXUXGZ-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001066736742 792070819 /nfs/dbraw/zinc/07/08/19/792070819.db2.gz VHHBCEVHNXUXGZ-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(C#N)nn1 ZINC001067762770 792246318 /nfs/dbraw/zinc/24/63/18/792246318.db2.gz HSALTQBIDVVNFZ-HIFRSBDPSA-N 1 1 328.420 0.727 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2ccnc(C#N)n2)C1 ZINC001066889954 792286349 /nfs/dbraw/zinc/28/63/49/792286349.db2.gz AHIITWZQHOWANW-DYVFJYSZSA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(Nc2ccncc2C#N)C1 ZINC001066891334 792294785 /nfs/dbraw/zinc/29/47/85/792294785.db2.gz XWVLCLMRXOMSQS-SJLPKXTDSA-N 1 1 343.431 0.235 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(Nc3ncccc3C#N)C2)C1 ZINC001066905815 792338551 /nfs/dbraw/zinc/33/85/51/792338551.db2.gz BFBMWZDJSSOTOZ-CRAIPNDOSA-N 1 1 343.431 0.670 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(Nc3nccnc3C#N)C2)C1 ZINC001066906401 792340787 /nfs/dbraw/zinc/34/07/87/792340787.db2.gz RZJKOBSAJJAJFT-SUMWQHHRSA-N 1 1 344.419 0.065 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(Nc3cnc(C#N)cn3)C2)C1 ZINC001066906344 792340942 /nfs/dbraw/zinc/34/09/42/792340942.db2.gz QWXUBCVARYIWEV-CXAGYDPISA-N 1 1 344.419 0.065 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ncc(C#N)cc3F)C2)C1 ZINC001067838772 792351288 /nfs/dbraw/zinc/35/12/88/792351288.db2.gz YKXBDGIEQKTYRT-ABIUDSBCSA-N 1 1 347.394 0.730 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ncc(C#N)cc3F)C2)C1 ZINC001067838772 792351300 /nfs/dbraw/zinc/35/13/00/792351300.db2.gz YKXBDGIEQKTYRT-ABIUDSBCSA-N 1 1 347.394 0.730 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3cncc(C#N)n3)C2)C1 ZINC001067852810 792372541 /nfs/dbraw/zinc/37/25/41/792372541.db2.gz QABJUVCRJITFEX-PIMMBPRGSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3cncc(C#N)n3)C2)C1 ZINC001067852810 792372551 /nfs/dbraw/zinc/37/25/51/792372551.db2.gz QABJUVCRJITFEX-PIMMBPRGSA-N 1 1 344.419 0.376 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2nccnc2C#N)CC[C@@H]1C ZINC001067961085 792507897 /nfs/dbraw/zinc/50/78/97/792507897.db2.gz MVFCJSSTEYORMD-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1C ZINC001067961169 792508588 /nfs/dbraw/zinc/50/85/88/792508588.db2.gz NZNQLVGFVFLMTK-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC[C@@H]1C ZINC001067981010 792538814 /nfs/dbraw/zinc/53/88/14/792538814.db2.gz VBJOKAJUGDLUNG-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC1(C)C ZINC001068099514 792669187 /nfs/dbraw/zinc/66/91/87/792669187.db2.gz UZJYGIBQNVUFEQ-KGLIPLIRSA-N 1 1 328.420 0.773 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)C#CC(C)(C)C ZINC001067078518 792670684 /nfs/dbraw/zinc/67/06/84/792670684.db2.gz CMTAKPLOYHKDKE-OAHLLOKOSA-N 1 1 337.464 0.673 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)C#CC(C)(C)C ZINC001067078518 792670688 /nfs/dbraw/zinc/67/06/88/792670688.db2.gz CMTAKPLOYHKDKE-OAHLLOKOSA-N 1 1 337.464 0.673 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1c[nH]c(C#N)c1 ZINC001067078660 792671891 /nfs/dbraw/zinc/67/18/91/792671891.db2.gz JFOOSKLAPIZEBF-OAHLLOKOSA-N 1 1 347.419 0.137 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1c[nH]c(C#N)c1 ZINC001067078660 792671895 /nfs/dbraw/zinc/67/18/95/792671895.db2.gz JFOOSKLAPIZEBF-OAHLLOKOSA-N 1 1 347.419 0.137 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1ccc(C#N)[nH]1 ZINC001067078545 792672583 /nfs/dbraw/zinc/67/25/83/792672583.db2.gz FFKMCKSQBRYRMG-OAHLLOKOSA-N 1 1 347.419 0.137 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1ccc(C#N)[nH]1 ZINC001067078545 792672593 /nfs/dbraw/zinc/67/25/93/792672593.db2.gz FFKMCKSQBRYRMG-OAHLLOKOSA-N 1 1 347.419 0.137 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3ccncc3C#N)CC2(C)C)C1 ZINC001068102147 792673610 /nfs/dbraw/zinc/67/36/10/792673610.db2.gz IMFTVAMNSLYMJL-HOTGVXAUSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3ccncc3C#N)CC2(C)C)C1 ZINC001068102147 792673615 /nfs/dbraw/zinc/67/36/15/792673615.db2.gz IMFTVAMNSLYMJL-HOTGVXAUSA-N 1 1 343.431 0.615 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001067109529 792706169 /nfs/dbraw/zinc/70/61/69/792706169.db2.gz UOYAQEYRKQDGMG-RISCZKNCSA-N 1 1 325.376 0.812 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2nccnc2C#N)[C@@H](C)C1 ZINC001067166085 792769502 /nfs/dbraw/zinc/76/95/02/792769502.db2.gz DPEQTUYBKOOPIQ-FZMZJTMJSA-N 1 1 325.376 0.812 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001068175265 792787516 /nfs/dbraw/zinc/78/75/16/792787516.db2.gz LSSAYIIHXNGGDM-YHUYYLMFSA-N 1 1 325.416 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(C)n3)C[C@H]21 ZINC001068208212 792829617 /nfs/dbraw/zinc/82/96/17/792829617.db2.gz GSEUEVKUVIKEHY-NXOAAHMSSA-N 1 1 339.443 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(C)n3)C[C@H]21 ZINC001068208212 792829629 /nfs/dbraw/zinc/82/96/29/792829629.db2.gz GSEUEVKUVIKEHY-NXOAAHMSSA-N 1 1 339.443 0.681 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3ccncc3C#N)CC2)C1 ZINC001067249948 792886317 /nfs/dbraw/zinc/88/63/17/792886317.db2.gz AQFNBGBPSWHLBL-INIZCTEOSA-N 1 1 343.431 0.499 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3ccncc3C#N)CC2)C1 ZINC001067249948 792886328 /nfs/dbraw/zinc/88/63/28/792886328.db2.gz AQFNBGBPSWHLBL-INIZCTEOSA-N 1 1 343.431 0.499 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC001068357207 793119678 /nfs/dbraw/zinc/11/96/78/793119678.db2.gz SWYSZJQVPAOHAD-HNNXBMFYSA-N 1 1 333.432 0.180 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1C ZINC001067420466 793128924 /nfs/dbraw/zinc/12/89/24/793128924.db2.gz JNQVGVJYZUDHTA-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001068395356 793202966 /nfs/dbraw/zinc/20/29/66/793202966.db2.gz YNGGSFXAUWANOK-JKSUJKDBSA-N 1 1 347.459 0.283 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068397767 793212330 /nfs/dbraw/zinc/21/23/30/793212330.db2.gz ABSJSSGHHWWDSE-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001068401789 793226127 /nfs/dbraw/zinc/22/61/27/793226127.db2.gz RZSHPBFMLWZNRQ-HUUCEWRRSA-N 1 1 335.448 0.733 20 30 ECEDMO CC#CCCCC(=O)N1CCOC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001068437039 793312753 /nfs/dbraw/zinc/31/27/53/793312753.db2.gz XDRSTWXDEOIOEU-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)CCOCC1 ZINC001267436983 837413928 /nfs/dbraw/zinc/41/39/28/837413928.db2.gz RDHSWOHNOZZLPH-XHSDSOJGSA-N 1 1 347.459 0.923 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)COC2CCCC2)C1 ZINC001267507721 837596500 /nfs/dbraw/zinc/59/65/00/837596500.db2.gz FJPDBFXNOHCBCT-CQSZACIVSA-N 1 1 336.436 0.414 20 30 ECEDMO CCc1c[nH]c(CC(=O)NCC[C@@H]2CC[N@@H+](CC#CCOC)C2)n1 ZINC001267536341 837716076 /nfs/dbraw/zinc/71/60/76/837716076.db2.gz QZYQHTPEKBALJP-OAHLLOKOSA-N 1 1 332.448 0.993 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CN2CCC(=O)NC2=O)C1 ZINC001267548332 837743251 /nfs/dbraw/zinc/74/32/51/837743251.db2.gz CWAQDBWRGDGHIB-AWEZNQCLSA-N 1 1 334.420 0.265 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001267550655 837751511 /nfs/dbraw/zinc/75/15/11/837751511.db2.gz CBTYACFHUVRMOK-OLZOCXBDSA-N 1 1 347.419 0.315 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2[nH]nnc2C)C1 ZINC001267551863 837752483 /nfs/dbraw/zinc/75/24/83/837752483.db2.gz HXZIXMYGALKUND-QWHCGFSZSA-N 1 1 334.424 0.246 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C2C=CC=CC=C2)C1 ZINC001267558465 837767307 /nfs/dbraw/zinc/76/73/07/837767307.db2.gz AVBSTDLHDDPRGR-OAHLLOKOSA-N 1 1 328.416 0.753 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)nc1 ZINC001267567155 837785658 /nfs/dbraw/zinc/78/56/58/837785658.db2.gz LSCAQAIIJKPECX-HNNXBMFYSA-N 1 1 339.399 0.144 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@@H]2CC[N@H+](Cc3nccn3C)C2)nn1 ZINC001267567110 837786020 /nfs/dbraw/zinc/78/60/20/837786020.db2.gz LHRCJDREWTVNMQ-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO CN(CCN1CCN(CC#N)CC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267575951 837827475 /nfs/dbraw/zinc/82/74/75/837827475.db2.gz OJBATJBNXXGXBT-IRXDYDNUSA-N 1 1 333.480 0.603 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC001266252344 835556354 /nfs/dbraw/zinc/55/63/54/835556354.db2.gz RYNSJIYVQKDHOF-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C=C(Cl)CN1CC[NH+](CCCNC(=O)[C@@H]2COCCO2)CC1 ZINC001266257650 835565653 /nfs/dbraw/zinc/56/56/53/835565653.db2.gz OCDQOVUBJJTAQH-AWEZNQCLSA-N 1 1 331.844 0.278 20 30 ECEDMO CO[C@H]1COCC[C@H]1CC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001266265147 835578540 /nfs/dbraw/zinc/57/85/40/835578540.db2.gz XEYSCVWJPKEVHK-HOTGVXAUSA-N 1 1 338.452 0.075 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001266267245 835585097 /nfs/dbraw/zinc/58/50/97/835585097.db2.gz USQSNFLQIFSUIG-INIZCTEOSA-N 1 1 331.464 0.755 20 30 ECEDMO C=CCC1(C(=O)NCCC[NH+]2CCN([C@H]3CCNC3=O)CC2)CCC1 ZINC001266272050 835593709 /nfs/dbraw/zinc/59/37/09/835593709.db2.gz WCLYHEUWPDMTBV-INIZCTEOSA-N 1 1 348.491 0.745 20 30 ECEDMO C[N@H+](CCNC(=O)C#CC1CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001266273251 835595448 /nfs/dbraw/zinc/59/54/48/835595448.db2.gz NRRGWYNHJVIBGH-LBPRGKRZSA-N 1 1 331.338 0.611 20 30 ECEDMO C[N@@H+](CCNC(=O)C#CC1CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001266273251 835595453 /nfs/dbraw/zinc/59/54/53/835595453.db2.gz NRRGWYNHJVIBGH-LBPRGKRZSA-N 1 1 331.338 0.611 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001266285951 835621732 /nfs/dbraw/zinc/62/17/32/835621732.db2.gz SSNDLMFWFRQIRE-IRXDYDNUSA-N 1 1 337.464 0.185 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@@H](C)OCc2ccncc2)CC1 ZINC001266292440 835637088 /nfs/dbraw/zinc/63/70/88/835637088.db2.gz INGFMARSSLOPGS-QGZVFWFLSA-N 1 1 344.459 0.744 20 30 ECEDMO CN1CC[C@H](C(=O)NCC[N@@H+](C)Cc2ccc(OCC#N)cc2)C1=O ZINC001266311918 835679133 /nfs/dbraw/zinc/67/91/33/835679133.db2.gz LYTMRSSNWJLSRR-MRXNPFEDSA-N 1 1 344.415 0.615 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1 ZINC001266320516 835691389 /nfs/dbraw/zinc/69/13/89/835691389.db2.gz BUCUGFSRPPLFSJ-GDBMZVCRSA-N 1 1 335.448 0.522 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1 ZINC001266320516 835691393 /nfs/dbraw/zinc/69/13/93/835691393.db2.gz BUCUGFSRPPLFSJ-GDBMZVCRSA-N 1 1 335.448 0.522 20 30 ECEDMO Cn1cc(C(=O)NCC[N@H+](C)CC#Cc2ccc(F)cc2)[nH]c1=O ZINC001266321877 835695326 /nfs/dbraw/zinc/69/53/26/835695326.db2.gz YBXDTSIAFBEVIJ-UHFFFAOYSA-N 1 1 330.363 0.978 20 30 ECEDMO Cn1cc(C(=O)NCC[N@@H+](C)CC#Cc2ccc(F)cc2)[nH]c1=O ZINC001266321877 835695331 /nfs/dbraw/zinc/69/53/31/835695331.db2.gz YBXDTSIAFBEVIJ-UHFFFAOYSA-N 1 1 330.363 0.978 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001266327399 835707353 /nfs/dbraw/zinc/70/73/53/835707353.db2.gz DYFPYFKGSZYLAV-ZDUSSCGKSA-N 1 1 331.372 0.307 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001266327399 835707362 /nfs/dbraw/zinc/70/73/62/835707362.db2.gz DYFPYFKGSZYLAV-ZDUSSCGKSA-N 1 1 331.372 0.307 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001266330545 835712407 /nfs/dbraw/zinc/71/24/07/835712407.db2.gz ZDARSRBMFFQYEL-CRAIPNDOSA-N 1 1 341.455 0.977 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001266330545 835712410 /nfs/dbraw/zinc/71/24/10/835712410.db2.gz ZDARSRBMFFQYEL-CRAIPNDOSA-N 1 1 341.455 0.977 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CCn3ccnc3)C2)C1=O ZINC001266333584 835716257 /nfs/dbraw/zinc/71/62/57/835716257.db2.gz QDPDZJUDLZNFGP-CABCVRRESA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CCn3ccnc3)C2)C1=O ZINC001266333584 835716262 /nfs/dbraw/zinc/71/62/62/835716262.db2.gz QDPDZJUDLZNFGP-CABCVRRESA-N 1 1 331.420 0.251 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccnc(OC(C)C)c1 ZINC001266346725 835736286 /nfs/dbraw/zinc/73/62/86/835736286.db2.gz AOGBHGBZEWQNLC-AWEZNQCLSA-N 1 1 346.431 0.668 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccnc(OC(C)C)c1 ZINC001266346725 835736296 /nfs/dbraw/zinc/73/62/96/835736296.db2.gz AOGBHGBZEWQNLC-AWEZNQCLSA-N 1 1 346.431 0.668 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCCO[C@@H]3CCOC3)C2)nn1 ZINC001266347704 835740098 /nfs/dbraw/zinc/74/00/98/835740098.db2.gz RPTBQPXAJREEED-LSDHHAIUSA-N 1 1 349.435 0.464 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC001266358673 835764926 /nfs/dbraw/zinc/76/49/26/835764926.db2.gz XHAZCZGDGFHBLO-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CC12CC[NH+](Cc1nccn1C)CC2 ZINC001266370619 835784092 /nfs/dbraw/zinc/78/40/92/835784092.db2.gz HWCBICNKUKPXAV-OAHLLOKOSA-N 1 1 330.432 0.931 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001266393112 835800571 /nfs/dbraw/zinc/80/05/71/835800571.db2.gz WGQOKZWAXKUVHH-KRWDZBQOSA-N 1 1 347.463 0.878 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cnn2ccncc12 ZINC001266394713 835801865 /nfs/dbraw/zinc/80/18/65/835801865.db2.gz WAYRAXDWIDFIFT-ZDUSSCGKSA-N 1 1 344.419 0.472 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cnn2ccncc12 ZINC001266394713 835801873 /nfs/dbraw/zinc/80/18/73/835801873.db2.gz WAYRAXDWIDFIFT-ZDUSSCGKSA-N 1 1 344.419 0.472 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2coc(OC)n2)C1=O ZINC001266405905 835813203 /nfs/dbraw/zinc/81/32/03/835813203.db2.gz LCMUFTUPTQNSCT-ZDUSSCGKSA-N 1 1 336.392 0.522 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1ccc2c(c1)COC2 ZINC001266422528 835827278 /nfs/dbraw/zinc/82/72/78/835827278.db2.gz FKHVJZJXBCBPTA-UHFFFAOYSA-N 1 1 329.400 0.518 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ccc2c(c1)COC2 ZINC001266422528 835827285 /nfs/dbraw/zinc/82/72/85/835827285.db2.gz FKHVJZJXBCBPTA-UHFFFAOYSA-N 1 1 329.400 0.518 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCn1cccn1 ZINC001266447289 835851225 /nfs/dbraw/zinc/85/12/25/835851225.db2.gz RDYLGXMUDBMCHU-GJZGRUSLSA-N 1 1 333.436 0.545 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN(C(=O)c2ccccc2O)C1 ZINC001266448638 835853730 /nfs/dbraw/zinc/85/37/30/835853730.db2.gz RPLPZDZZRNCRRK-CQSZACIVSA-N 1 1 344.415 0.816 20 30 ECEDMO C=C(Br)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001266452578 835854746 /nfs/dbraw/zinc/85/47/46/835854746.db2.gz POQCTUOXVDSHJX-NSHDSACASA-N 1 1 332.242 0.941 20 30 ECEDMO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001266452578 835854751 /nfs/dbraw/zinc/85/47/51/835854751.db2.gz POQCTUOXVDSHJX-NSHDSACASA-N 1 1 332.242 0.941 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001266455605 835857838 /nfs/dbraw/zinc/85/78/38/835857838.db2.gz IDWAUCUSKNRXFW-ZIAGYGMSSA-N 1 1 348.451 0.290 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)CCn2ccnn2)C1=O ZINC001266458612 835860755 /nfs/dbraw/zinc/86/07/55/835860755.db2.gz YMTDCRDDKNQQMY-HUUCEWRRSA-N 1 1 346.435 0.036 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC001266461788 835863259 /nfs/dbraw/zinc/86/32/59/835863259.db2.gz WRBRGNSMCYGAOA-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCCCC1 ZINC001266461788 835863261 /nfs/dbraw/zinc/86/32/61/835863261.db2.gz WRBRGNSMCYGAOA-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001266460970 835863288 /nfs/dbraw/zinc/86/32/88/835863288.db2.gz GZNNYCYRMQEAJD-ZFWWWQNUSA-N 1 1 346.431 0.381 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001266460970 835863292 /nfs/dbraw/zinc/86/32/92/835863292.db2.gz GZNNYCYRMQEAJD-ZFWWWQNUSA-N 1 1 346.431 0.381 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001266461014 835864099 /nfs/dbraw/zinc/86/40/99/835864099.db2.gz HREWVFOEVXJSCQ-HOCLYGCPSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001266461014 835864103 /nfs/dbraw/zinc/86/41/03/835864103.db2.gz HREWVFOEVXJSCQ-HOCLYGCPSA-N 1 1 335.448 0.474 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001266461935 835864501 /nfs/dbraw/zinc/86/45/01/835864501.db2.gz ZPLVABXDLPACPX-DZGCQCFKSA-N 1 1 348.447 0.603 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001266461935 835864506 /nfs/dbraw/zinc/86/45/06/835864506.db2.gz ZPLVABXDLPACPX-DZGCQCFKSA-N 1 1 348.447 0.603 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001266464395 835865020 /nfs/dbraw/zinc/86/50/20/835865020.db2.gz ZWDXAZCIVXAHKW-CYBMUJFWSA-N 1 1 342.399 0.830 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001266464224 835866069 /nfs/dbraw/zinc/86/60/69/835866069.db2.gz WBXFONPLALAGBR-CQSZACIVSA-N 1 1 332.404 0.143 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001266472728 835875941 /nfs/dbraw/zinc/87/59/41/835875941.db2.gz QLGCWCPASOCDTM-AWEZNQCLSA-N 1 1 346.431 0.547 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001266479680 835880882 /nfs/dbraw/zinc/88/08/82/835880882.db2.gz AUOWJHCLRDRYHJ-HNNXBMFYSA-N 1 1 326.400 0.904 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001266479680 835880890 /nfs/dbraw/zinc/88/08/90/835880890.db2.gz AUOWJHCLRDRYHJ-HNNXBMFYSA-N 1 1 326.400 0.904 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC ZINC001266492305 835891636 /nfs/dbraw/zinc/89/16/36/835891636.db2.gz MSXDADSYQGMRGD-YOEHRIQHSA-N 1 1 327.428 0.926 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)Cc1ccccc1 ZINC001266492542 835892484 /nfs/dbraw/zinc/89/24/84/835892484.db2.gz QWPYKSMGVPZKTN-KRWDZBQOSA-N 1 1 327.428 0.949 20 30 ECEDMO C#CCC1(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC(N)=O)CCCCC1 ZINC001266495770 835895381 /nfs/dbraw/zinc/89/53/81/835895381.db2.gz UJEIRVDKOJKSCB-AWEZNQCLSA-N 1 1 348.447 0.736 20 30 ECEDMO C#CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC(N)=O)CCCCC1 ZINC001266495770 835895390 /nfs/dbraw/zinc/89/53/90/835895390.db2.gz UJEIRVDKOJKSCB-AWEZNQCLSA-N 1 1 348.447 0.736 20 30 ECEDMO O=C(C#CC1CC1)NC[C@@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001266512216 835920697 /nfs/dbraw/zinc/92/06/97/835920697.db2.gz ZLNQBFSBEIKOTE-INIZCTEOSA-N 1 1 338.473 0.663 20 30 ECEDMO C#CC[NH2+]CCOCCN(C)C(=O)c1ccn(-c2ccncc2)n1 ZINC001279422095 835925003 /nfs/dbraw/zinc/92/50/03/835925003.db2.gz DABINXHGGQWYQY-UHFFFAOYSA-N 1 1 327.388 0.579 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2snnc2C2CC2)C1 ZINC001266517323 835928840 /nfs/dbraw/zinc/92/88/40/835928840.db2.gz IGXBJVIURQRQFR-LLVKDONJSA-N 1 1 349.460 0.769 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CC)n2)C1 ZINC001266517416 835928871 /nfs/dbraw/zinc/92/88/71/835928871.db2.gz JNLHNBNFVTVHMR-CQSZACIVSA-N 1 1 330.432 0.998 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnc(C3CC3)o2)C1 ZINC001266518005 835929823 /nfs/dbraw/zinc/92/98/23/835929823.db2.gz ROKNJHNKIQACEB-GFCCVEGCSA-N 1 1 332.404 0.906 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnc3ccccn23)C1 ZINC001266519815 835932280 /nfs/dbraw/zinc/93/22/80/835932280.db2.gz ABXSCDCPKBDSDN-ZDUSSCGKSA-N 1 1 340.387 0.026 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnc3ccccn23)C1 ZINC001266519815 835932282 /nfs/dbraw/zinc/93/22/82/835932282.db2.gz ABXSCDCPKBDSDN-ZDUSSCGKSA-N 1 1 340.387 0.026 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC001266522833 835937495 /nfs/dbraw/zinc/93/74/95/835937495.db2.gz ZXPKKKIWNOKTDH-GUYCJALGSA-N 1 1 333.436 0.632 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)n2CCC)C1 ZINC001266524567 835940327 /nfs/dbraw/zinc/94/03/27/835940327.db2.gz UQAIBMZDUBLOKI-HNNXBMFYSA-N 1 1 333.436 0.727 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#C)cc2)C1 ZINC001266525581 835941083 /nfs/dbraw/zinc/94/10/83/835941083.db2.gz JTKVUSZTVGMKDY-RDJZCZTQSA-N 1 1 337.423 0.858 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001266533834 835952560 /nfs/dbraw/zinc/95/25/60/835952560.db2.gz REWATEXNWFGULA-ZDUSSCGKSA-N 1 1 339.399 0.859 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001266533834 835952567 /nfs/dbraw/zinc/95/25/67/835952567.db2.gz REWATEXNWFGULA-ZDUSSCGKSA-N 1 1 339.399 0.859 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001266540471 835960963 /nfs/dbraw/zinc/96/09/63/835960963.db2.gz XJFFQYNKBCQPBS-AWEZNQCLSA-N 1 1 348.451 0.210 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001266540471 835960973 /nfs/dbraw/zinc/96/09/73/835960973.db2.gz XJFFQYNKBCQPBS-AWEZNQCLSA-N 1 1 348.451 0.210 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001266540471 835960979 /nfs/dbraw/zinc/96/09/79/835960979.db2.gz XJFFQYNKBCQPBS-AWEZNQCLSA-N 1 1 348.451 0.210 20 30 ECEDMO CO[C@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CCCC1 ZINC001266546709 835968316 /nfs/dbraw/zinc/96/83/16/835968316.db2.gz VRDKQPKTMDRSSH-CJNGLKHVSA-N 1 1 336.436 0.269 20 30 ECEDMO CO[C@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCCC1 ZINC001266546709 835968320 /nfs/dbraw/zinc/96/83/20/835968320.db2.gz VRDKQPKTMDRSSH-CJNGLKHVSA-N 1 1 336.436 0.269 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001266549559 835973824 /nfs/dbraw/zinc/97/38/24/835973824.db2.gz YAGARSDVHREYQY-GJZGRUSLSA-N 1 1 347.463 0.698 20 30 ECEDMO C#CCCCC(=O)NCC[NH+]1CCC(NCc2cnnn2C)CC1 ZINC001279431511 835974449 /nfs/dbraw/zinc/97/44/49/835974449.db2.gz OHLQZMQCWVZCGR-UHFFFAOYSA-N 1 1 332.452 0.289 20 30 ECEDMO CCC[N@H+](CCNC(=O)[C@H]1CCC(F)(F)C1)CC(=O)NCC#N ZINC001266562790 835992440 /nfs/dbraw/zinc/99/24/40/835992440.db2.gz OLBJBCWDZLJUJX-LBPRGKRZSA-N 1 1 330.379 0.890 20 30 ECEDMO CCC[N@@H+](CCNC(=O)[C@H]1CCC(F)(F)C1)CC(=O)NCC#N ZINC001266562790 835992449 /nfs/dbraw/zinc/99/24/49/835992449.db2.gz OLBJBCWDZLJUJX-LBPRGKRZSA-N 1 1 330.379 0.890 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCNC(=O)c2c[nH]c(C#N)c2)C2CC2)C1=O ZINC001266590096 836020483 /nfs/dbraw/zinc/02/04/83/836020483.db2.gz BHZHAJSRCMIBGC-MRXNPFEDSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCNC(=O)c2c[nH]c(C#N)c2)C2CC2)C1=O ZINC001266590096 836020495 /nfs/dbraw/zinc/02/04/95/836020495.db2.gz BHZHAJSRCMIBGC-MRXNPFEDSA-N 1 1 341.415 0.867 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC001266749572 836239500 /nfs/dbraw/zinc/23/95/00/836239500.db2.gz JNLFVXMGBBQWEZ-HZPDHXFCSA-N 1 1 332.448 0.829 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccsn2)C1 ZINC001266751157 836241785 /nfs/dbraw/zinc/24/17/85/836241785.db2.gz CIDKXOJYNBETRY-OLZOCXBDSA-N 1 1 334.445 0.723 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001266755291 836249698 /nfs/dbraw/zinc/24/96/98/836249698.db2.gz ORWFZVCHXUDNGP-STQMWFEESA-N 1 1 334.395 0.734 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC001266755765 836251350 /nfs/dbraw/zinc/25/13/50/836251350.db2.gz USTPCHJJJRXOKY-OAHLLOKOSA-N 1 1 343.427 0.877 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001266758118 836255073 /nfs/dbraw/zinc/25/50/73/836255073.db2.gz NYUGNGXOMAQGQI-JKSUJKDBSA-N 1 1 336.480 0.294 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)NC(C)=O)C1 ZINC001266761093 836263931 /nfs/dbraw/zinc/26/39/31/836263931.db2.gz SYNXQHVOISRTTD-HUUCEWRRSA-N 1 1 338.452 0.032 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)CCOCC)CC2)C1=O ZINC001279511554 836310535 /nfs/dbraw/zinc/31/05/35/836310535.db2.gz PKDSSTPUDYIBTQ-MRXNPFEDSA-N 1 1 335.448 0.948 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)CC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001266799762 836323615 /nfs/dbraw/zinc/32/36/15/836323615.db2.gz CXKKGJWYYKNEJI-UHFFFAOYSA-N 1 1 334.346 0.996 20 30 ECEDMO N#CCSCC(=O)NC[C@@H]1CCCC[N@H+]1CCN1CCCC1=O ZINC001266833710 836359350 /nfs/dbraw/zinc/35/93/50/836359350.db2.gz WXEUVZWKYZBHJF-AWEZNQCLSA-N 1 1 338.477 0.836 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC1CC1 ZINC001266839592 836362226 /nfs/dbraw/zinc/36/22/26/836362226.db2.gz DQPRHJVUKICLAZ-MAUKXSAKSA-N 1 1 337.464 0.810 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC1CC1 ZINC001266839592 836362236 /nfs/dbraw/zinc/36/22/36/836362236.db2.gz DQPRHJVUKICLAZ-MAUKXSAKSA-N 1 1 337.464 0.810 20 30 ECEDMO COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001266856241 836391207 /nfs/dbraw/zinc/39/12/07/836391207.db2.gz MPGTWZAVVVNHKQ-OAHLLOKOSA-N 1 1 348.447 0.971 20 30 ECEDMO COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001266856241 836391216 /nfs/dbraw/zinc/39/12/16/836391216.db2.gz MPGTWZAVVVNHKQ-OAHLLOKOSA-N 1 1 348.447 0.971 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001266856626 836392452 /nfs/dbraw/zinc/39/24/52/836392452.db2.gz VNSLNADVELWOIF-GFCCVEGCSA-N 1 1 347.419 0.000 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001266856626 836392467 /nfs/dbraw/zinc/39/24/67/836392467.db2.gz VNSLNADVELWOIF-GFCCVEGCSA-N 1 1 347.419 0.000 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)c1cnc(C)[nH]1 ZINC001266863674 836406533 /nfs/dbraw/zinc/40/65/33/836406533.db2.gz LOBMWUIPTPJMDD-TZMCWYRMSA-N 1 1 333.436 0.993 20 30 ECEDMO C=CCOCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001266892187 836440731 /nfs/dbraw/zinc/44/07/31/836440731.db2.gz MHAGOJXLZPUOAE-HUUCEWRRSA-N 1 1 338.452 0.431 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001266894337 836445143 /nfs/dbraw/zinc/44/51/43/836445143.db2.gz IEABHBPMNDJNKP-KBPBESRZSA-N 1 1 345.509 0.965 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001266903801 836459773 /nfs/dbraw/zinc/45/97/73/836459773.db2.gz XYQWEDPYGPCGTP-YXISZKLHSA-N 1 1 332.448 0.893 20 30 ECEDMO C=CCNC(=O)C[NH2+]C1CCC(NC(=O)CCc2nc[nH]n2)CC1 ZINC001266908425 836467325 /nfs/dbraw/zinc/46/73/25/836467325.db2.gz TYZNVOHUTPALKZ-UHFFFAOYSA-N 1 1 334.424 0.057 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1nnc(C)o1 ZINC001279552448 836564400 /nfs/dbraw/zinc/56/44/00/836564400.db2.gz BNKCSYFMSNTREM-HUUCEWRRSA-N 1 1 332.404 0.636 20 30 ECEDMO C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267021222 836638865 /nfs/dbraw/zinc/63/88/65/836638865.db2.gz VYOJDHMINKOTAK-HOTGVXAUSA-N 1 1 334.464 0.191 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC001267099698 836768825 /nfs/dbraw/zinc/76/88/25/836768825.db2.gz BXTLLTDVLIVWNP-HUUCEWRRSA-N 1 1 333.436 0.497 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)noc2C)C1 ZINC001267101035 836772813 /nfs/dbraw/zinc/77/28/13/836772813.db2.gz OYTOAGWSWPDALF-HIFRSBDPSA-N 1 1 346.431 0.966 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@H]([N@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001267103067 836779435 /nfs/dbraw/zinc/77/94/35/836779435.db2.gz RQYOTBTZDIYIEJ-LSDHHAIUSA-N 1 1 333.432 0.908 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2ccnc(C)n2)C1 ZINC001267114919 836807758 /nfs/dbraw/zinc/80/77/58/836807758.db2.gz NFDZDRZDDCNBDS-ZFWWWQNUSA-N 1 1 343.431 0.459 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccccn1 ZINC001267157715 836865436 /nfs/dbraw/zinc/86/54/36/836865436.db2.gz IWNGJLJRLMYGSO-HNNXBMFYSA-N 1 1 328.416 0.805 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)SC ZINC001267159875 836870465 /nfs/dbraw/zinc/87/04/65/836870465.db2.gz APJLYTAIOZOXKO-KBPBESRZSA-N 1 1 325.478 0.848 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CCn1cncn1 ZINC001267160180 836871932 /nfs/dbraw/zinc/87/19/32/836871932.db2.gz CFPSYXXSDINHES-MRXNPFEDSA-N 1 1 333.436 0.679 20 30 ECEDMO Cc1ccc(C(=O)NCCC[C@H]2CCC[N@H+]2CC(=O)NCC#N)nn1 ZINC001267165549 836888421 /nfs/dbraw/zinc/88/84/21/836888421.db2.gz WDNYUPMBVVDICZ-AWEZNQCLSA-N 1 1 344.419 0.399 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001267169184 836898575 /nfs/dbraw/zinc/89/85/75/836898575.db2.gz KXULGOCILSWBNM-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001267172108 836906884 /nfs/dbraw/zinc/90/68/84/836906884.db2.gz WAMZFJJZMZDVRO-HIFRSBDPSA-N 1 1 329.404 0.360 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)SC ZINC001267187562 836944308 /nfs/dbraw/zinc/94/43/08/836944308.db2.gz YJMFDTFAPYAQHK-QWRGUYRKSA-N 1 1 330.454 0.186 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)SC ZINC001267187562 836944315 /nfs/dbraw/zinc/94/43/15/836944315.db2.gz YJMFDTFAPYAQHK-QWRGUYRKSA-N 1 1 330.454 0.186 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CCCc3n[nH]cc32)C1=O ZINC001267195711 836960635 /nfs/dbraw/zinc/96/06/35/836960635.db2.gz LDEKDIIYYOLHLB-CJNGLKHVSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CCCc3n[nH]cc32)C1=O ZINC001267195711 836960642 /nfs/dbraw/zinc/96/06/42/836960642.db2.gz LDEKDIIYYOLHLB-CJNGLKHVSA-N 1 1 345.447 0.665 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001267204395 836981086 /nfs/dbraw/zinc/98/10/86/836981086.db2.gz AGPIZHSJZAANKV-GFCCVEGCSA-N 1 1 347.419 0.081 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001267204395 836981093 /nfs/dbraw/zinc/98/10/93/836981093.db2.gz AGPIZHSJZAANKV-GFCCVEGCSA-N 1 1 347.419 0.081 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001267221672 837015122 /nfs/dbraw/zinc/01/51/22/837015122.db2.gz SEYKZLUDKJFEMH-ZDUSSCGKSA-N 1 1 341.415 0.671 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001267221672 837015130 /nfs/dbraw/zinc/01/51/30/837015130.db2.gz SEYKZLUDKJFEMH-ZDUSSCGKSA-N 1 1 341.415 0.671 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cncnc2CC)C1=O ZINC001267230243 837033303 /nfs/dbraw/zinc/03/33/03/837033303.db2.gz JPIRAZMJVBAQDD-HNNXBMFYSA-N 1 1 331.420 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cncnc2CC)C1=O ZINC001267230243 837033315 /nfs/dbraw/zinc/03/33/15/837033315.db2.gz JPIRAZMJVBAQDD-HNNXBMFYSA-N 1 1 331.420 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2cnn(C)c2CC)C1=O ZINC001267245433 837059442 /nfs/dbraw/zinc/05/94/42/837059442.db2.gz KDBVVVDMMKIVLD-INIZCTEOSA-N 1 1 347.463 0.821 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1ccc(C)[nH]c1=O ZINC001267250005 837067699 /nfs/dbraw/zinc/06/76/99/837067699.db2.gz BIFHFRUUMCHKQL-CYBMUJFWSA-N 1 1 332.404 0.285 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1ccc(C)[nH]c1=O ZINC001267250005 837067702 /nfs/dbraw/zinc/06/77/02/837067702.db2.gz BIFHFRUUMCHKQL-CYBMUJFWSA-N 1 1 332.404 0.285 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cnc2c(cnn2C)c1 ZINC001267252914 837073053 /nfs/dbraw/zinc/07/30/53/837073053.db2.gz CSOQLKPLDFEYNO-UHFFFAOYSA-N 1 1 329.404 0.670 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)CNC(=O)c1ccc(F)cc1 ZINC001267255040 837075489 /nfs/dbraw/zinc/07/54/89/837075489.db2.gz OWZBABIUNFZWHI-UHFFFAOYSA-N 1 1 349.406 0.643 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001267267501 837105065 /nfs/dbraw/zinc/10/50/65/837105065.db2.gz REFDGGOTABPVRV-GHMZBOCLSA-N 1 1 344.362 0.234 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001267267501 837105070 /nfs/dbraw/zinc/10/50/70/837105070.db2.gz REFDGGOTABPVRV-GHMZBOCLSA-N 1 1 344.362 0.234 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001267269132 837106906 /nfs/dbraw/zinc/10/69/06/837106906.db2.gz KXVOKIVJMSBCNB-AWEZNQCLSA-N 1 1 348.447 0.521 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001267278669 837123302 /nfs/dbraw/zinc/12/33/02/837123302.db2.gz ODQARYNAVCKOPN-CQSZACIVSA-N 1 1 346.435 0.210 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001267278669 837123306 /nfs/dbraw/zinc/12/33/06/837123306.db2.gz ODQARYNAVCKOPN-CQSZACIVSA-N 1 1 346.435 0.210 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC(C)C)cn1 ZINC001267281001 837129165 /nfs/dbraw/zinc/12/91/65/837129165.db2.gz IKIULIOCEWZGCI-MRXNPFEDSA-N 1 1 328.416 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC(C)C)cn1 ZINC001267281001 837129168 /nfs/dbraw/zinc/12/91/68/837129168.db2.gz IKIULIOCEWZGCI-MRXNPFEDSA-N 1 1 328.416 0.782 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2c(C)noc2C)C1 ZINC001267285142 837136014 /nfs/dbraw/zinc/13/60/14/837136014.db2.gz CMVDPTWVLKNEIH-OCCSQVGLSA-N 1 1 332.404 0.481 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001267292028 837144605 /nfs/dbraw/zinc/14/46/05/837144605.db2.gz QCSDERGESTXWAJ-ZDUSSCGKSA-N 1 1 334.420 0.216 20 30 ECEDMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001267293817 837150071 /nfs/dbraw/zinc/15/00/71/837150071.db2.gz ZNHIBNDYHIIHFN-CHWSQXEVSA-N 1 1 336.436 0.318 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001267298233 837159834 /nfs/dbraw/zinc/15/98/34/837159834.db2.gz LOTZFFHIGMRZAJ-RHSMWYFYSA-N 1 1 335.452 0.982 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001267298233 837159839 /nfs/dbraw/zinc/15/98/39/837159839.db2.gz LOTZFFHIGMRZAJ-RHSMWYFYSA-N 1 1 335.452 0.982 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2csc(C)n2)C1 ZINC001267306789 837177670 /nfs/dbraw/zinc/17/76/70/837177670.db2.gz XLPZIBCMGRRNJF-TZMCWYRMSA-N 1 1 348.472 0.570 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001267307058 837178441 /nfs/dbraw/zinc/17/84/41/837178441.db2.gz KWFVBCUVJMGADZ-GJZGRUSLSA-N 1 1 331.420 0.022 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)Oc2ccccn2)C1 ZINC001267307467 837179230 /nfs/dbraw/zinc/17/92/30/837179230.db2.gz SUIRMYGWNNPPTA-GJZGRUSLSA-N 1 1 346.431 0.589 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1ccc(C)c(C)n1)CC(=O)NCC#N ZINC001267314661 837191091 /nfs/dbraw/zinc/19/10/91/837191091.db2.gz MZYFLIZSALVDQV-UHFFFAOYSA-N 1 1 331.420 0.780 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1ccc(C)c(C)n1)CC(=O)NCC#N ZINC001267314661 837191095 /nfs/dbraw/zinc/19/10/95/837191095.db2.gz MZYFLIZSALVDQV-UHFFFAOYSA-N 1 1 331.420 0.780 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCC)CCNC(=O)[C@]2(F)CCOC2)C1=O ZINC001267317009 837193762 /nfs/dbraw/zinc/19/37/62/837193762.db2.gz LDNIMCCGKOCKIU-PBHICJAKSA-N 1 1 341.427 0.730 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@H]1CCOC[C@@H]1C)CC(=O)NCC#N ZINC001267318637 837195333 /nfs/dbraw/zinc/19/53/33/837195333.db2.gz BDCBQYUFGBLMFU-GJZGRUSLSA-N 1 1 338.452 0.515 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)CC(=O)NCC#N ZINC001267319614 837196254 /nfs/dbraw/zinc/19/62/54/837196254.db2.gz QJOKHXWXRKQBCQ-KFWWJZLASA-N 1 1 336.436 0.410 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cc(CC)n[nH]1)C1CC1 ZINC001267322015 837199157 /nfs/dbraw/zinc/19/91/57/837199157.db2.gz QRFFEAMIRBMZSU-LBPRGKRZSA-N 1 1 331.420 0.304 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cc(CC)n[nH]1)C1CC1 ZINC001267322015 837199161 /nfs/dbraw/zinc/19/91/61/837199161.db2.gz QRFFEAMIRBMZSU-LBPRGKRZSA-N 1 1 331.420 0.304 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cncc(C)c1)C1CC1 ZINC001267323768 837201832 /nfs/dbraw/zinc/20/18/32/837201832.db2.gz SIZVELYBYZKEMG-AWEZNQCLSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cncc(C)c1)C1CC1 ZINC001267323768 837201839 /nfs/dbraw/zinc/20/18/39/837201839.db2.gz SIZVELYBYZKEMG-AWEZNQCLSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1ncc(OC)cc1F)C1CC1 ZINC001267325660 837202842 /nfs/dbraw/zinc/20/28/42/837202842.db2.gz HJAVLAVQMLXKCT-UHFFFAOYSA-N 1 1 348.378 0.173 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1ncc(OC)cc1F)C1CC1 ZINC001267325660 837202849 /nfs/dbraw/zinc/20/28/49/837202849.db2.gz HJAVLAVQMLXKCT-UHFFFAOYSA-N 1 1 348.378 0.173 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(Cc1ncnn1CC)C1CC1 ZINC001267327668 837206823 /nfs/dbraw/zinc/20/68/23/837206823.db2.gz WBPPMNXQKFZTCH-INIZCTEOSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(Cc1ncnn1CC)C1CC1 ZINC001267327668 837206830 /nfs/dbraw/zinc/20/68/30/837206830.db2.gz WBPPMNXQKFZTCH-INIZCTEOSA-N 1 1 344.463 0.476 20 30 ECEDMO C=C(C)C[N@@H+](CCNC(=O)c1ccc(S(N)(=O)=O)o1)C1CC1 ZINC001267327989 837208792 /nfs/dbraw/zinc/20/87/92/837208792.db2.gz HKJFRGMUFDOLJP-UHFFFAOYSA-N 1 1 327.406 0.697 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC001267331946 837211997 /nfs/dbraw/zinc/21/19/97/837211997.db2.gz XJPMRCKSHLTBBF-WDNDVIMCSA-N 1 1 348.447 0.625 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC001267331946 837212008 /nfs/dbraw/zinc/21/20/08/837212008.db2.gz XJPMRCKSHLTBBF-WDNDVIMCSA-N 1 1 348.447 0.625 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](CCn1cncn1)C1CC1 ZINC001267334848 837217897 /nfs/dbraw/zinc/21/78/97/837217897.db2.gz HVSQCUUGWCPCGQ-HOTGVXAUSA-N 1 1 333.436 0.840 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@@H]1CCc2nnc(C)n2C1)C1CC1 ZINC001267338336 837222592 /nfs/dbraw/zinc/22/25/92/837222592.db2.gz UUHOOONDDJNYMT-OAHLLOKOSA-N 1 1 345.447 0.379 20 30 ECEDMO COCC#CC[N@@H+](CCCNC(=O)c1ccc(C(N)=O)cn1)C(C)C ZINC001267340225 837224074 /nfs/dbraw/zinc/22/40/74/837224074.db2.gz HNNRQAXESXHYGK-UHFFFAOYSA-N 1 1 346.431 0.661 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1COCCO1)c1ccccc1 ZINC001267350605 837238365 /nfs/dbraw/zinc/23/83/65/837238365.db2.gz GIVQHELFJCEPGR-HZPDHXFCSA-N 1 1 347.415 0.151 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[C@H]1CCOC1)c1ccccc1 ZINC001267356751 837245011 /nfs/dbraw/zinc/24/50/11/837245011.db2.gz ICVJRXJWPFOHFU-WBVHZDCISA-N 1 1 343.427 0.610 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H](CNC(=O)Cc1cc[nH]n1)c1ccccc1 ZINC001267357252 837245347 /nfs/dbraw/zinc/24/53/47/837245347.db2.gz LVNMPYYKDACGLK-HNNXBMFYSA-N 1 1 340.387 0.039 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001267357625 837246854 /nfs/dbraw/zinc/24/68/54/837246854.db2.gz QIHMCUMWYQJSBO-UKRRQHHQSA-N 1 1 344.415 0.820 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)Cc2c[nH]c3ncccc23)CC1 ZINC001267577793 837835705 /nfs/dbraw/zinc/83/57/05/837835705.db2.gz RROCGUMFRQEDFR-UHFFFAOYSA-N 1 1 339.443 0.815 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC001267581189 837843479 /nfs/dbraw/zinc/84/34/79/837843479.db2.gz KSQKRKAOVISXDS-CYBMUJFWSA-N 1 1 332.379 0.364 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](CCNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001267583287 837850618 /nfs/dbraw/zinc/85/06/18/837850618.db2.gz LEVXWQQCGXLHOP-CABCVRRESA-N 1 1 333.436 0.942 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N2CCCC2)C1 ZINC001267583768 837853024 /nfs/dbraw/zinc/85/30/24/837853024.db2.gz VMDAXPVZJBVRFK-JKSUJKDBSA-N 1 1 335.448 0.427 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001267586218 837863290 /nfs/dbraw/zinc/86/32/90/837863290.db2.gz MFQUUCIDTPYFGI-CQSZACIVSA-N 1 1 347.415 0.427 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001267589818 837877553 /nfs/dbraw/zinc/87/75/53/837877553.db2.gz MYXHBPOGNYXEQN-ZBFHGGJFSA-N 1 1 347.463 0.813 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cccc2)C1 ZINC001267592115 837885498 /nfs/dbraw/zinc/88/54/98/837885498.db2.gz NZLFGBMFENXJMV-IRXDYDNUSA-N 1 1 344.459 0.796 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C[N@H+](C)CC(=O)NCCC)CC1 ZINC001267599294 837910996 /nfs/dbraw/zinc/91/09/96/837910996.db2.gz KAKIQAXTXHDZGQ-OAHLLOKOSA-N 1 1 337.464 0.721 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCOCC2)C1 ZINC001267617088 838033645 /nfs/dbraw/zinc/03/36/45/838033645.db2.gz CMOVMFYBROPEDD-MRXNPFEDSA-N 1 1 337.464 0.328 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCOCC2)C1 ZINC001267617088 838033652 /nfs/dbraw/zinc/03/36/52/838033652.db2.gz CMOVMFYBROPEDD-MRXNPFEDSA-N 1 1 337.464 0.328 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCc2nc(C)no2)C1 ZINC001267622387 838063153 /nfs/dbraw/zinc/06/31/53/838063153.db2.gz XVVZBSZCADZCAY-OAHLLOKOSA-N 1 1 334.420 0.931 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCCc2nc(C)no2)C1 ZINC001267622387 838063165 /nfs/dbraw/zinc/06/31/65/838063165.db2.gz XVVZBSZCADZCAY-OAHLLOKOSA-N 1 1 334.420 0.931 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC001267625006 838072139 /nfs/dbraw/zinc/07/21/39/838072139.db2.gz TYDDSBPMKDELRR-MAUKXSAKSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC001267625006 838072149 /nfs/dbraw/zinc/07/21/49/838072149.db2.gz TYDDSBPMKDELRR-MAUKXSAKSA-N 1 1 337.464 0.763 20 30 ECEDMO CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@H](NC(=O)C#CC3CC3)C2)n1 ZINC001267625740 838072529 /nfs/dbraw/zinc/07/25/29/838072529.db2.gz DHZFCZVXLRYDIA-HNNXBMFYSA-N 1 1 344.463 0.965 20 30 ECEDMO CC(C)(C)n1nnc(CC[N@H+]2CCC[C@H](NC(=O)C#CC3CC3)C2)n1 ZINC001267625740 838072544 /nfs/dbraw/zinc/07/25/44/838072544.db2.gz DHZFCZVXLRYDIA-HNNXBMFYSA-N 1 1 344.463 0.965 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001267628192 838080490 /nfs/dbraw/zinc/08/04/90/838080490.db2.gz VPHOPJUKDHJBMY-YPMHNXCESA-N 1 1 333.392 0.067 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001267628192 838080504 /nfs/dbraw/zinc/08/05/04/838080504.db2.gz VPHOPJUKDHJBMY-YPMHNXCESA-N 1 1 333.392 0.067 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001267631666 838092329 /nfs/dbraw/zinc/09/23/29/838092329.db2.gz AIFZRMRQOJQWGV-INIZCTEOSA-N 1 1 341.415 0.812 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001267631666 838092336 /nfs/dbraw/zinc/09/23/36/838092336.db2.gz AIFZRMRQOJQWGV-INIZCTEOSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N2CCCCC2)C1 ZINC001267646117 838132370 /nfs/dbraw/zinc/13/23/70/838132370.db2.gz LWAYYPBEUKEFRZ-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO COCCOC[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001267646455 838133435 /nfs/dbraw/zinc/13/34/35/838133435.db2.gz PETPPJNSXRSHKP-DLBZAZTESA-N 1 1 340.464 0.450 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001267653838 838158339 /nfs/dbraw/zinc/15/83/39/838158339.db2.gz ZDGRQAQIOORLDB-ZDUSSCGKSA-N 1 1 344.419 0.949 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC001267659224 838179607 /nfs/dbraw/zinc/17/96/07/838179607.db2.gz XLGKBICGBOSSAL-KBPBESRZSA-N 1 1 345.447 0.504 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(CC)n2)C1 ZINC001267689934 838257398 /nfs/dbraw/zinc/25/73/98/838257398.db2.gz JIDMHJVGSPRPJC-CQSZACIVSA-N 1 1 331.420 0.046 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001267702691 838300468 /nfs/dbraw/zinc/30/04/68/838300468.db2.gz IFCHLOSIYPTZIQ-JTQLQIEISA-N 1 1 339.783 0.362 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCS(=O)(=O)N(C)C ZINC001267711139 838326588 /nfs/dbraw/zinc/32/65/88/838326588.db2.gz LHEKKNJYICBWPU-KBPBESRZSA-N 1 1 343.493 0.765 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCS(=O)(=O)N(C)C ZINC001267711139 838326594 /nfs/dbraw/zinc/32/65/94/838326594.db2.gz LHEKKNJYICBWPU-KBPBESRZSA-N 1 1 343.493 0.765 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)C[C@@](C)(O)C=C)CC1 ZINC001267724536 838387342 /nfs/dbraw/zinc/38/73/42/838387342.db2.gz GPIFHYIWPSJEBS-SFHVURJKSA-N 1 1 337.464 0.786 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(CC)CC)C1 ZINC001267725807 838396364 /nfs/dbraw/zinc/39/63/64/838396364.db2.gz DJOWRHRKWMNWLF-HOTGVXAUSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N(CC)CC)C1 ZINC001267725807 838396353 /nfs/dbraw/zinc/39/63/53/838396353.db2.gz DJOWRHRKWMNWLF-HOTGVXAUSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N(CC)CC)C1 ZINC001267725807 838396359 /nfs/dbraw/zinc/39/63/59/838396359.db2.gz DJOWRHRKWMNWLF-HOTGVXAUSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(CC)CC)C1 ZINC001267725807 838396366 /nfs/dbraw/zinc/39/63/66/838396366.db2.gz DJOWRHRKWMNWLF-HOTGVXAUSA-N 1 1 334.464 0.143 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CCc3cccnc3)C2)C1=O ZINC001267726584 838404881 /nfs/dbraw/zinc/40/48/81/838404881.db2.gz ONRPKECXIASEGS-DLBZAZTESA-N 1 1 342.443 0.992 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CCc3cccnc3)C2)C1=O ZINC001267726584 838404887 /nfs/dbraw/zinc/40/48/87/838404887.db2.gz ONRPKECXIASEGS-DLBZAZTESA-N 1 1 342.443 0.992 20 30 ECEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001267729707 838415727 /nfs/dbraw/zinc/41/57/27/838415727.db2.gz DKWZZHKAMHIBCF-UHFFFAOYSA-N 1 1 337.464 0.982 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001267733703 838423645 /nfs/dbraw/zinc/42/36/45/838423645.db2.gz ZMFFTUXRIVUFQP-IRXDYDNUSA-N 1 1 348.491 0.518 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001267734794 838429196 /nfs/dbraw/zinc/42/91/96/838429196.db2.gz ZMRHRTFKFROWCZ-INIZCTEOSA-N 1 1 347.463 0.807 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnn3ccccc23)C1 ZINC001267751431 838473733 /nfs/dbraw/zinc/47/37/33/838473733.db2.gz YTQNUDOCWYMERJ-ZIAGYGMSSA-N 1 1 341.415 0.829 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnn3ccccc23)C1 ZINC001267751431 838473741 /nfs/dbraw/zinc/47/37/41/838473741.db2.gz YTQNUDOCWYMERJ-ZIAGYGMSSA-N 1 1 341.415 0.829 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)/C=C(/C)C2CC2)C1 ZINC001267758621 838483423 /nfs/dbraw/zinc/48/34/23/838483423.db2.gz LHRIXWVTWAXYPJ-WVUXNXBLSA-N 1 1 348.447 0.887 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)/C=C(/C)C2CC2)C1 ZINC001267758621 838483425 /nfs/dbraw/zinc/48/34/25/838483425.db2.gz LHRIXWVTWAXYPJ-WVUXNXBLSA-N 1 1 348.447 0.887 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C)C1 ZINC001267761650 838490841 /nfs/dbraw/zinc/49/08/41/838490841.db2.gz JMKWIQLLKUFBRG-KGLIPLIRSA-N 1 1 331.420 0.013 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C)C1 ZINC001267761650 838490848 /nfs/dbraw/zinc/49/08/48/838490848.db2.gz JMKWIQLLKUFBRG-KGLIPLIRSA-N 1 1 331.420 0.013 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC001267763513 838493225 /nfs/dbraw/zinc/49/32/25/838493225.db2.gz XXDYBRMWTGAJLI-YOEHRIQHSA-N 1 1 343.427 0.857 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC001267763513 838493228 /nfs/dbraw/zinc/49/32/28/838493228.db2.gz XXDYBRMWTGAJLI-YOEHRIQHSA-N 1 1 343.427 0.857 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001267768037 838506926 /nfs/dbraw/zinc/50/69/26/838506926.db2.gz LSFUHOJPXREYFK-HOTGVXAUSA-N 1 1 345.447 0.413 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001267768037 838506931 /nfs/dbraw/zinc/50/69/31/838506931.db2.gz LSFUHOJPXREYFK-HOTGVXAUSA-N 1 1 345.447 0.413 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N(C)C)nc2)C1 ZINC001267770150 838518344 /nfs/dbraw/zinc/51/83/44/838518344.db2.gz ZLQIGVXYWJFYSG-MRXNPFEDSA-N 1 1 330.432 0.944 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N(C)C)nc2)C1 ZINC001267770150 838518346 /nfs/dbraw/zinc/51/83/46/838518346.db2.gz ZLQIGVXYWJFYSG-MRXNPFEDSA-N 1 1 330.432 0.944 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001267773265 838531699 /nfs/dbraw/zinc/53/16/99/838531699.db2.gz KRZSHKSFSBMUOS-HNNXBMFYSA-N 1 1 333.457 0.881 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001267773265 838531708 /nfs/dbraw/zinc/53/17/08/838531708.db2.gz KRZSHKSFSBMUOS-HNNXBMFYSA-N 1 1 333.457 0.881 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001267777175 838542865 /nfs/dbraw/zinc/54/28/65/838542865.db2.gz KCXZNIVSTPDBBH-OAHLLOKOSA-N 1 1 347.463 0.970 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2)C1 ZINC001267778093 838544977 /nfs/dbraw/zinc/54/49/77/838544977.db2.gz WWJWYXPJWOPUFU-JKSUJKDBSA-N 1 1 343.427 0.736 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2)C1 ZINC001267778093 838544982 /nfs/dbraw/zinc/54/49/82/838544982.db2.gz WWJWYXPJWOPUFU-JKSUJKDBSA-N 1 1 343.427 0.736 20 30 ECEDMO C#CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC001267783935 838558095 /nfs/dbraw/zinc/55/80/95/838558095.db2.gz MJYMSAPTUTVIPY-CQSZACIVSA-N 1 1 336.436 0.558 20 30 ECEDMO C#CCCCC(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC)C1 ZINC001267783935 838558100 /nfs/dbraw/zinc/55/81/00/838558100.db2.gz MJYMSAPTUTVIPY-CQSZACIVSA-N 1 1 336.436 0.558 20 30 ECEDMO C=CCNC(=O)[C@@H](C)N1CC[C@@H](N(CC)C(=O)c2[nH]nnc2C)C1 ZINC001267788144 838564777 /nfs/dbraw/zinc/56/47/77/838564777.db2.gz QVPAQMRKXVDJDV-CHWSQXEVSA-N 1 1 334.424 0.340 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2n[nH]nc2C)C1 ZINC001267788144 838564782 /nfs/dbraw/zinc/56/47/82/838564782.db2.gz QVPAQMRKXVDJDV-CHWSQXEVSA-N 1 1 334.424 0.340 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2n[nH]nc2C)C1 ZINC001267788144 838564789 /nfs/dbraw/zinc/56/47/89/838564789.db2.gz QVPAQMRKXVDJDV-CHWSQXEVSA-N 1 1 334.424 0.340 20 30 ECEDMO Cc1n[nH]c(C(=O)N[C@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)c1C ZINC001267848502 838645082 /nfs/dbraw/zinc/64/50/82/838645082.db2.gz IAYLUKIKFBBJCE-MRXNPFEDSA-N 1 1 332.408 0.154 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@](C)(C[NH2+]Cc2cnn(C)n2)C2CC2)nn1 ZINC001267859629 838657898 /nfs/dbraw/zinc/65/78/98/838657898.db2.gz DRBKFWBATKNNBR-INIZCTEOSA-N 1 1 344.423 0.281 20 30 ECEDMO C[C@@H]1CCCC[C@]1(C[NH2+]Cc1nnnn1C)NC(=O)C#CC1CC1 ZINC001267866736 838666264 /nfs/dbraw/zinc/66/62/64/838666264.db2.gz ODXGODBEACOUAP-CXAGYDPISA-N 1 1 330.436 0.778 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001267958200 838864105 /nfs/dbraw/zinc/86/41/05/838864105.db2.gz VOYIRUJVNZQLOL-LSDHHAIUSA-N 1 1 335.452 0.081 20 30 ECEDMO COC[C@@H](O)C[N@H+]1CCC2(C1)CCN(C(=O)CSCC#N)CC2 ZINC001267972372 838902973 /nfs/dbraw/zinc/90/29/73/838902973.db2.gz DOLKKMOIVFKGAC-AWEZNQCLSA-N 1 1 341.477 0.565 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)CCN2CCOCC2)C1 ZINC001268025759 839024700 /nfs/dbraw/zinc/02/47/00/839024700.db2.gz KOOATGZVPHRPHJ-DLBZAZTESA-N 1 1 339.480 0.880 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001268026204 839027664 /nfs/dbraw/zinc/02/76/64/839027664.db2.gz SSNBXZVURGAZSS-GJZGRUSLSA-N 1 1 338.452 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)CNC(=O)C(C)(C)C)C1 ZINC001268028916 839044257 /nfs/dbraw/zinc/04/42/57/839044257.db2.gz PSJLBSLKCJSXDA-CQSZACIVSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+]Cc2nnc(C(C)C)o2)nn1 ZINC001167830758 839309321 /nfs/dbraw/zinc/30/93/21/839309321.db2.gz CHDCHXOFXCBPMK-UHFFFAOYSA-N 1 1 333.396 0.880 20 30 ECEDMO N#CC1(CCC[N@H+](CCO)CCN2CCOCC2)CCOCC1 ZINC000337171963 283043735 /nfs/dbraw/zinc/04/37/35/283043735.db2.gz GGWKEQZAGJQYBF-UHFFFAOYSA-N 1 1 325.453 0.713 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)C2)C1 ZINC001041672265 781961204 /nfs/dbraw/zinc/96/12/04/781961204.db2.gz AMPPESNBCUBZSP-IBGZPJMESA-N 1 1 342.443 0.694 20 30 ECEDMO C[N@@H+](CCO)C1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000264527403 246598156 /nfs/dbraw/zinc/59/81/56/246598156.db2.gz XANZATUUPRRCQB-UHFFFAOYSA-N 1 1 337.445 0.777 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000266611655 248382378 /nfs/dbraw/zinc/38/23/78/248382378.db2.gz GWNOSRNCSBLAED-UHFFFAOYSA-N 1 1 333.363 0.987 20 30 ECEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000264691929 296311847 /nfs/dbraw/zinc/31/18/47/296311847.db2.gz DUYXLYHDQCIGJN-JFVSRZABSA-N 1 1 349.435 0.686 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+](C)C1 ZINC000411759840 208143283 /nfs/dbraw/zinc/14/32/83/208143283.db2.gz PXBNLDZKECNIEF-CYBMUJFWSA-N 1 1 344.371 0.060 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411759840 208143286 /nfs/dbraw/zinc/14/32/86/208143286.db2.gz PXBNLDZKECNIEF-CYBMUJFWSA-N 1 1 344.371 0.060 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)CNc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000413905406 208370223 /nfs/dbraw/zinc/37/02/23/208370223.db2.gz QPNJFGKMLIGTMR-CQSZACIVSA-N 1 1 330.388 0.533 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCOC(C)C)CC1 ZINC000081639536 254487379 /nfs/dbraw/zinc/48/73/79/254487379.db2.gz SKYSOZXOQKMSQP-CQSZACIVSA-N 1 1 326.441 0.429 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)N(CCC#N)CCOC ZINC000337085437 285205715 /nfs/dbraw/zinc/20/57/15/285205715.db2.gz DIJWXSGKTXRKQW-AWEZNQCLSA-N 1 1 332.470 0.557 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000434718098 254794631 /nfs/dbraw/zinc/79/46/31/254794631.db2.gz LDFBPMMNQODZRA-QGZVFWFLSA-N 1 1 335.448 0.539 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000454263332 254807999 /nfs/dbraw/zinc/80/79/99/254807999.db2.gz KTHBUNNULVIBPB-CABCVRRESA-N 1 1 338.452 0.620 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1ccc(OC)c(OC)c1 ZINC000491765624 254933218 /nfs/dbraw/zinc/93/32/18/254933218.db2.gz FVZOPZWQSOQGBD-UHFFFAOYSA-N 1 1 347.415 0.505 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000118124397 221124816 /nfs/dbraw/zinc/12/48/16/221124816.db2.gz FBZMOGROZVHMEE-OAHLLOKOSA-N 1 1 330.388 0.724 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000063814303 296608568 /nfs/dbraw/zinc/60/85/68/296608568.db2.gz XKAFKBSXQCPFMQ-UHFFFAOYSA-N 1 1 330.388 0.644 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000247409793 165161350 /nfs/dbraw/zinc/16/13/50/165161350.db2.gz RPZDIGDHMOPPAS-ZIAGYGMSSA-N 1 1 327.392 0.116 20 30 ECEDMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2CO)sc2c1CCC2 ZINC000249360275 165195164 /nfs/dbraw/zinc/19/51/64/165195164.db2.gz SKDBKRPHRQHEAP-WDEREUQCSA-N 1 1 335.429 0.865 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000270957334 263287806 /nfs/dbraw/zinc/28/78/06/263287806.db2.gz UKVZXGDNZOMKCJ-HOTGVXAUSA-N 1 1 329.400 0.995 20 30 ECEDMO N#Cc1ccc(CN2CC[N@@H+](CC3(O)CCOCC3)CC2=O)cc1 ZINC000366450077 270007180 /nfs/dbraw/zinc/00/71/80/270007180.db2.gz OPDMPHKJEGUOMV-UHFFFAOYSA-N 1 1 329.400 0.744 20 30 ECEDMO N#Cc1ccc(CN2CC[N@H+](CC3(O)CCOCC3)CC2=O)cc1 ZINC000366450077 270007181 /nfs/dbraw/zinc/00/71/81/270007181.db2.gz OPDMPHKJEGUOMV-UHFFFAOYSA-N 1 1 329.400 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000377746900 270007615 /nfs/dbraw/zinc/00/76/15/270007615.db2.gz VSDNCTHMJASWSE-MRXNPFEDSA-N 1 1 329.404 0.090 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000528432790 270008152 /nfs/dbraw/zinc/00/81/52/270008152.db2.gz SBRBJEUYOBXTGB-UONOGXRCSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000528432790 270008153 /nfs/dbraw/zinc/00/81/53/270008153.db2.gz SBRBJEUYOBXTGB-UONOGXRCSA-N 1 1 339.417 0.051 20 30 ECEDMO CCC[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[N@H+]1CCOC ZINC000288067534 266080815 /nfs/dbraw/zinc/08/08/15/266080815.db2.gz GELYEMOQXNTLCA-AWEZNQCLSA-N 1 1 349.439 0.292 20 30 ECEDMO CCN1C(=O)[C@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CCN2C1=O ZINC000369398898 266142201 /nfs/dbraw/zinc/14/22/01/266142201.db2.gz QUDUDSZDXMOMRQ-OAHLLOKOSA-N 1 1 328.372 0.905 20 30 ECEDMO CC[N@@H+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@H](C)C1 ZINC000287942148 266148210 /nfs/dbraw/zinc/14/82/10/266148210.db2.gz SJNBFFJHUYQXKV-CYBMUJFWSA-N 1 1 326.400 1.000 20 30 ECEDMO CC[N@H+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@H](C)C1 ZINC000287942148 266148214 /nfs/dbraw/zinc/14/82/14/266148214.db2.gz SJNBFFJHUYQXKV-CYBMUJFWSA-N 1 1 326.400 1.000 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000367764387 266151853 /nfs/dbraw/zinc/15/18/53/266151853.db2.gz WYHAETVQOUNMPS-MRXNPFEDSA-N 1 1 331.420 0.365 20 30 ECEDMO CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000367764387 266151858 /nfs/dbraw/zinc/15/18/58/266151858.db2.gz WYHAETVQOUNMPS-MRXNPFEDSA-N 1 1 331.420 0.365 20 30 ECEDMO CC[N@@H+]1CCO[C@H](CN2CCN(c3nnc(C)c(C)c3C#N)CC2)C1 ZINC000363961253 266152710 /nfs/dbraw/zinc/15/27/10/266152710.db2.gz KUTWAZJAHSKEIO-INIZCTEOSA-N 1 1 344.463 0.808 20 30 ECEDMO CC[N@H+]1CCO[C@H](CN2CCN(c3nnc(C)c(C)c3C#N)CC2)C1 ZINC000363961253 266152713 /nfs/dbraw/zinc/15/27/13/266152713.db2.gz KUTWAZJAHSKEIO-INIZCTEOSA-N 1 1 344.463 0.808 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000362899929 267046423 /nfs/dbraw/zinc/04/64/23/267046423.db2.gz FPDGPZUMTRPQKD-RDBSUJKOSA-N 1 1 328.420 0.583 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366419385 267138788 /nfs/dbraw/zinc/13/87/88/267138788.db2.gz NFEUMLLPAPIUMV-DDTOSNHZSA-N 1 1 326.356 0.480 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000368974746 267164512 /nfs/dbraw/zinc/16/45/12/267164512.db2.gz OSGQFBXAHZJROX-CQSZACIVSA-N 1 1 344.415 0.203 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343319280 267240092 /nfs/dbraw/zinc/24/00/92/267240092.db2.gz ZHLGZRSJDXOOCH-HRCADAONSA-N 1 1 342.447 0.722 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343319280 267240096 /nfs/dbraw/zinc/24/00/96/267240096.db2.gz ZHLGZRSJDXOOCH-HRCADAONSA-N 1 1 342.447 0.722 20 30 ECEDMO C[C@](O)(CNC(=O)COc1ccccc1C#N)C[NH+]1CCOCC1 ZINC000343543315 267256489 /nfs/dbraw/zinc/25/64/89/267256489.db2.gz GQJFVBJPHAMWBT-KRWDZBQOSA-N 1 1 333.388 0.136 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)c(F)c1 ZINC000304079794 268116694 /nfs/dbraw/zinc/11/66/94/268116694.db2.gz YIVXBEMMMGERFY-OAHLLOKOSA-N 1 1 346.406 0.803 20 30 ECEDMO N#Cc1ccc(N2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)nc1 ZINC000364291826 268117230 /nfs/dbraw/zinc/11/72/30/268117230.db2.gz SBESSRADDYACMH-CALCHBBNSA-N 1 1 327.432 0.938 20 30 ECEDMO N#Cc1ccc(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)nc1 ZINC000364291826 268117232 /nfs/dbraw/zinc/11/72/32/268117232.db2.gz SBESSRADDYACMH-CALCHBBNSA-N 1 1 327.432 0.938 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)nc1 ZINC000364291826 268117233 /nfs/dbraw/zinc/11/72/33/268117233.db2.gz SBESSRADDYACMH-CALCHBBNSA-N 1 1 327.432 0.938 20 30 ECEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1Cl ZINC000366420791 268141395 /nfs/dbraw/zinc/14/13/95/268141395.db2.gz PWLHZLDPLCQYER-NWDGAFQWSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1Cl ZINC000366420791 268141397 /nfs/dbraw/zinc/14/13/97/268141397.db2.gz PWLHZLDPLCQYER-NWDGAFQWSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(OC2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)cc1 ZINC000360742332 268166618 /nfs/dbraw/zinc/16/66/18/268166618.db2.gz XHPIGWFNJOBNKD-UHFFFAOYSA-N 1 1 342.399 0.360 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCO)C2CCOCC2)nc1 ZINC000289651222 268187143 /nfs/dbraw/zinc/18/71/43/268187143.db2.gz CKRBUFCLVPZRKN-UHFFFAOYSA-N 1 1 339.417 0.200 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCO)C2CCOCC2)nc1 ZINC000289651222 268187146 /nfs/dbraw/zinc/18/71/46/268187146.db2.gz CKRBUFCLVPZRKN-UHFFFAOYSA-N 1 1 339.417 0.200 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000340151375 268249468 /nfs/dbraw/zinc/24/94/68/268249468.db2.gz XMVPAXJIDQXQKU-CVEARBPZSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000528424212 268296159 /nfs/dbraw/zinc/29/61/59/268296159.db2.gz YFNFARJKQONKHZ-IRXDYDNUSA-N 1 1 331.416 0.704 20 30 ECEDMO CCN(CC)S(=O)(=O)CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000330709679 437595414 /nfs/dbraw/zinc/59/54/14/437595414.db2.gz ORBIHMOFWUPSEU-KBPBESRZSA-N 1 1 346.497 0.598 20 30 ECEDMO CN1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@H]1C#N ZINC000373490725 277091864 /nfs/dbraw/zinc/09/18/64/277091864.db2.gz SWCOKBIQLKCRQN-BZUAXINKSA-N 1 1 335.452 0.479 20 30 ECEDMO C[C@@H](CC#N)N(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000330723468 437598788 /nfs/dbraw/zinc/59/87/88/437598788.db2.gz YYONFXNZTJIABK-LSDHHAIUSA-N 1 1 336.436 0.460 20 30 ECEDMO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)C[NH+]1CCOCC1 ZINC000329092067 278159409 /nfs/dbraw/zinc/15/94/09/278159409.db2.gz XAEZENDXMHFIDG-MCIONIFRSA-N 1 1 339.440 0.171 20 30 ECEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336938580 278195822 /nfs/dbraw/zinc/19/58/22/278195822.db2.gz HQXYJAHRQPDRCF-LXTVHRRPSA-N 1 1 344.481 0.412 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000330577511 279172586 /nfs/dbraw/zinc/17/25/86/279172586.db2.gz RTKVUCXQZTYNOI-QGZVFWFLSA-N 1 1 336.436 0.198 20 30 ECEDMO Cc1nc(C(=O)NCCCCN2CC[NH+](CCO)CC2)ccc1C#N ZINC000340230693 437613334 /nfs/dbraw/zinc/61/33/34/437613334.db2.gz JIMCJQOVPUKKRH-UHFFFAOYSA-N 1 1 345.447 0.382 20 30 ECEDMO C[C@H](CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[N@@H+](C)C1CC1 ZINC000329120232 289394533 /nfs/dbraw/zinc/39/45/33/289394533.db2.gz PQJNCAMUSQUGPB-VXGBXAGGSA-N 1 1 332.470 0.397 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C[N@@H+]1C1CC1 ZINC000330200160 297320218 /nfs/dbraw/zinc/32/02/18/297320218.db2.gz WJSGGZBXAOSLTP-AGIUHOORSA-N 1 1 329.466 0.892 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C[N@H+]1C1CC1 ZINC000330200160 297320222 /nfs/dbraw/zinc/32/02/22/297320222.db2.gz WJSGGZBXAOSLTP-AGIUHOORSA-N 1 1 329.466 0.892 20 30 ECEDMO COCCNC(=O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000025815109 436155388 /nfs/dbraw/zinc/15/53/88/436155388.db2.gz BGKSEDIKYBXGCF-QGZVFWFLSA-N 1 1 336.436 0.269 20 30 ECEDMO CN1CC[NH+](CCCCNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000075731119 436173809 /nfs/dbraw/zinc/17/38/09/436173809.db2.gz KTSRCIWYOHOSAJ-UHFFFAOYSA-N 1 1 336.461 0.864 20 30 ECEDMO C[C@@H](C(=O)NC(N)=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961416 436194650 /nfs/dbraw/zinc/19/46/50/436194650.db2.gz DDPQWAHFAJWNQX-ZDUSSCGKSA-N 1 1 329.404 0.649 20 30 ECEDMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961416 436194662 /nfs/dbraw/zinc/19/46/62/436194662.db2.gz DDPQWAHFAJWNQX-ZDUSSCGKSA-N 1 1 329.404 0.649 20 30 ECEDMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961416 436194666 /nfs/dbraw/zinc/19/46/66/436194666.db2.gz DDPQWAHFAJWNQX-ZDUSSCGKSA-N 1 1 329.404 0.649 20 30 ECEDMO N#Cc1ccc(NCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000076458601 436209134 /nfs/dbraw/zinc/20/91/34/436209134.db2.gz BRHVIFPDLCYXSN-HNNXBMFYSA-N 1 1 343.431 0.674 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CCC[N@H+](CCCOC)CC2)nc1 ZINC000078302277 436265420 /nfs/dbraw/zinc/26/54/20/436265420.db2.gz IJONGAICLCMLSO-UHFFFAOYSA-N 1 1 330.432 0.993 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc(C#N)c2)CC1 ZINC000042327009 436300839 /nfs/dbraw/zinc/30/08/39/436300839.db2.gz DJAQHCJFONDKHT-UHFFFAOYSA-N 1 1 329.404 0.568 20 30 ECEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)C[C@H](O)CN1CCOCC1 ZINC000083246580 436371251 /nfs/dbraw/zinc/37/12/51/436371251.db2.gz LCULISMIPUHNTF-INIZCTEOSA-N 1 1 328.416 0.936 20 30 ECEDMO C[N@H+](Cc1cn2ccccc2c1C#N)C[C@H](O)CN1CCOCC1 ZINC000083246580 436371254 /nfs/dbraw/zinc/37/12/54/436371254.db2.gz LCULISMIPUHNTF-INIZCTEOSA-N 1 1 328.416 0.936 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1CCOc2ccccc21 ZINC000088767624 436404789 /nfs/dbraw/zinc/40/47/89/436404789.db2.gz OYGRIKQBBXLQQO-GDBMZVCRSA-N 1 1 331.464 0.921 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000081667879 436354292 /nfs/dbraw/zinc/35/42/92/436354292.db2.gz NTSMDIGADUDEJF-UHFFFAOYSA-N 1 1 343.431 0.523 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000091216754 436444302 /nfs/dbraw/zinc/44/43/02/436444302.db2.gz ZCZHHMCBNUKFRK-CQSZACIVSA-N 1 1 329.466 0.549 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000091581207 436454549 /nfs/dbraw/zinc/45/45/49/436454549.db2.gz NFXZXVIIOTXIRC-MSOLQXFVSA-N 1 1 349.523 0.952 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000089943445 436421557 /nfs/dbraw/zinc/42/15/57/436421557.db2.gz QIDQGJWPBSKQGU-HNNXBMFYSA-N 1 1 337.387 0.826 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000089992424 436426536 /nfs/dbraw/zinc/42/65/36/436426536.db2.gz JMIGHPBDKUYFJV-CYBMUJFWSA-N 1 1 331.482 0.800 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000092617250 436473126 /nfs/dbraw/zinc/47/31/26/436473126.db2.gz WAMVIUUQUSEZGD-HZPDHXFCSA-N 1 1 349.479 0.231 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000092617250 436473131 /nfs/dbraw/zinc/47/31/31/436473131.db2.gz WAMVIUUQUSEZGD-HZPDHXFCSA-N 1 1 349.479 0.231 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000104188900 436558156 /nfs/dbraw/zinc/55/81/56/436558156.db2.gz CUHLNTXSOWWPSK-CYBMUJFWSA-N 1 1 335.429 0.280 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000055169651 436569451 /nfs/dbraw/zinc/56/94/51/436569451.db2.gz NLGIEVNYINKPPC-UHFFFAOYSA-N 1 1 335.429 0.376 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000113433420 436638100 /nfs/dbraw/zinc/63/81/00/436638100.db2.gz OFYNLPVEBQDYFK-BBWFWOEESA-N 1 1 348.491 0.531 20 30 ECEDMO C=CCSCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000137916163 436659728 /nfs/dbraw/zinc/65/97/28/436659728.db2.gz GJHMEOGWZWWVJK-CQSZACIVSA-N 1 1 340.493 0.854 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000193958811 436655368 /nfs/dbraw/zinc/65/53/68/436655368.db2.gz XPWGFPGOKWCWQS-HNNXBMFYSA-N 1 1 336.436 0.319 20 30 ECEDMO CC#CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000270545560 436674959 /nfs/dbraw/zinc/67/49/59/436674959.db2.gz DMHIPTLEXOKXLR-UHFFFAOYSA-N 1 1 328.416 0.897 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1 ZINC000271002251 436676907 /nfs/dbraw/zinc/67/69/07/436676907.db2.gz GHOFVZVVYRQSFN-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1 ZINC000271002251 436676910 /nfs/dbraw/zinc/67/69/10/436676910.db2.gz GHOFVZVVYRQSFN-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)c2cccc(OC)c2)CC1 ZINC000272771609 436720851 /nfs/dbraw/zinc/72/08/51/436720851.db2.gz CFFLJUDFCIVLQS-UHFFFAOYSA-N 1 1 329.400 0.593 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](CCSC)NC(=O)CC)CC1 ZINC000068444305 436744973 /nfs/dbraw/zinc/74/49/73/436744973.db2.gz LCSPRJRQXWLWGR-CQSZACIVSA-N 1 1 325.478 0.802 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000068444661 436745639 /nfs/dbraw/zinc/74/56/39/436745639.db2.gz MFJNMICGYFGDOQ-GFCCVEGCSA-N 1 1 331.338 0.565 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000124325157 436748938 /nfs/dbraw/zinc/74/89/38/436748938.db2.gz AHYYTQZGLQMEOO-IINYFYTJSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000124325157 436748940 /nfs/dbraw/zinc/74/89/40/436748940.db2.gz AHYYTQZGLQMEOO-IINYFYTJSA-N 1 1 334.351 0.471 20 30 ECEDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000125111991 436763139 /nfs/dbraw/zinc/76/31/39/436763139.db2.gz PTVKGXRVVQWEPT-ZDUSSCGKSA-N 1 1 332.408 0.534 20 30 ECEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000125111991 436763143 /nfs/dbraw/zinc/76/31/43/436763143.db2.gz PTVKGXRVVQWEPT-ZDUSSCGKSA-N 1 1 332.408 0.534 20 30 ECEDMO C=CCNC(=O)CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000274330920 436816704 /nfs/dbraw/zinc/81/67/04/436816704.db2.gz MWFXIMXHLDOWQV-SFHVURJKSA-N 1 1 342.399 0.485 20 30 ECEDMO N#Cc1cccc(NCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156687064 436818605 /nfs/dbraw/zinc/81/86/05/436818605.db2.gz IENNACSDWHCSPJ-HNNXBMFYSA-N 1 1 343.431 0.674 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000245910397 436769993 /nfs/dbraw/zinc/76/99/93/436769993.db2.gz IYENCZALTWTRDN-KGLIPLIRSA-N 1 1 346.497 0.305 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000245910397 436769996 /nfs/dbraw/zinc/76/99/96/436769996.db2.gz IYENCZALTWTRDN-KGLIPLIRSA-N 1 1 346.497 0.305 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000069501872 436775900 /nfs/dbraw/zinc/77/59/00/436775900.db2.gz SDZDMFLSWAAYQX-MRXNPFEDSA-N 1 1 344.415 0.515 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000246534144 436781052 /nfs/dbraw/zinc/78/10/52/436781052.db2.gz BBIIYTYDDQFLCO-CABCVRRESA-N 1 1 338.452 0.431 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246534144 436781053 /nfs/dbraw/zinc/78/10/53/436781053.db2.gz BBIIYTYDDQFLCO-CABCVRRESA-N 1 1 338.452 0.431 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000127233164 436798315 /nfs/dbraw/zinc/79/83/15/436798315.db2.gz VEULNPKXRDOMFX-UHFFFAOYSA-N 1 1 349.456 0.670 20 30 ECEDMO CC#CC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000292999725 436842640 /nfs/dbraw/zinc/84/26/40/436842640.db2.gz CTSFRPALIBLBLX-CHWSQXEVSA-N 1 1 337.445 0.855 20 30 ECEDMO CC#CC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000292999725 436842642 /nfs/dbraw/zinc/84/26/42/436842642.db2.gz CTSFRPALIBLBLX-CHWSQXEVSA-N 1 1 337.445 0.855 20 30 ECEDMO C#CCNC(=O)CC[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000293042797 436846493 /nfs/dbraw/zinc/84/64/93/436846493.db2.gz JYQSDLVLUDGYBE-UHFFFAOYSA-N 1 1 328.460 0.880 20 30 ECEDMO CN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000131888402 436856782 /nfs/dbraw/zinc/85/67/82/436856782.db2.gz IONNLHBYKGEREJ-UHFFFAOYSA-N 1 1 344.415 0.912 20 30 ECEDMO Cc1nc(C#N)c(C#N)n1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000135488135 436917906 /nfs/dbraw/zinc/91/79/06/436917906.db2.gz YTCRPZFNWDFCNG-AWEZNQCLSA-N 1 1 344.419 0.408 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000294006995 436927130 /nfs/dbraw/zinc/92/71/30/436927130.db2.gz PIKMHHOZIHHAES-SFHVURJKSA-N 1 1 342.399 0.426 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000293514248 436885101 /nfs/dbraw/zinc/88/51/01/436885101.db2.gz YHUAGFIFPCRPRN-UHFFFAOYSA-N 1 1 345.325 0.455 20 30 ECEDMO C#CCNC(=O)CCN1CC[N@@H+](CCC(=O)NCC#C)[C@@H](CCC)C1 ZINC000293799466 436909175 /nfs/dbraw/zinc/90/91/75/436909175.db2.gz NFCHZDRJUXUMEE-KRWDZBQOSA-N 1 1 346.475 0.052 20 30 ECEDMO C#CCNC(=O)CCN1CC[N@@H+](CCC(=O)NCC#C)C[C@@H]1CCC ZINC000293799466 436909181 /nfs/dbraw/zinc/90/91/81/436909181.db2.gz NFCHZDRJUXUMEE-KRWDZBQOSA-N 1 1 346.475 0.052 20 30 ECEDMO C#CCNC(=O)CCN1CC[N@H+](CCC(=O)NCC#C)C[C@@H]1CCC ZINC000293799466 436909184 /nfs/dbraw/zinc/90/91/84/436909184.db2.gz NFCHZDRJUXUMEE-KRWDZBQOSA-N 1 1 346.475 0.052 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000171129679 436967969 /nfs/dbraw/zinc/96/79/69/436967969.db2.gz BUQCIZCMEPNOAC-UHFFFAOYSA-N 1 1 334.420 0.490 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000294087375 436933422 /nfs/dbraw/zinc/93/34/22/436933422.db2.gz XFOGDHZGXARCNX-INIZCTEOSA-N 1 1 341.415 0.178 20 30 ECEDMO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCN2CCCC2)CC1 ZINC000170907847 436959716 /nfs/dbraw/zinc/95/97/16/436959716.db2.gz NUBOSEVRBXZAQB-UHFFFAOYSA-N 1 1 325.457 0.950 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000294714136 436960617 /nfs/dbraw/zinc/96/06/17/436960617.db2.gz YZFNUSCLTMCKDN-MRXNPFEDSA-N 1 1 330.432 0.748 20 30 ECEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)cn2)C1 ZINC000294778632 436960722 /nfs/dbraw/zinc/96/07/22/436960722.db2.gz NSPHJTGSEFLAIQ-KGLIPLIRSA-N 1 1 327.388 0.834 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000297768883 437019163 /nfs/dbraw/zinc/01/91/63/437019163.db2.gz JIOMWDYEYGCFHF-INIZCTEOSA-N 1 1 342.443 0.991 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCCNC(=O)c1cccc(OC)c1 ZINC000296648636 436996592 /nfs/dbraw/zinc/99/65/92/436996592.db2.gz SRBHOOFREBPNKG-UHFFFAOYSA-N 1 1 346.431 0.679 20 30 ECEDMO CC(=O)NC[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000172182482 437001447 /nfs/dbraw/zinc/00/14/47/437001447.db2.gz PXNILOFVIAWUCG-INIZCTEOSA-N 1 1 330.388 0.724 20 30 ECEDMO CC(=O)NC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000172182482 437001451 /nfs/dbraw/zinc/00/14/51/437001451.db2.gz PXNILOFVIAWUCG-INIZCTEOSA-N 1 1 330.388 0.724 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000297079373 437004329 /nfs/dbraw/zinc/00/43/29/437004329.db2.gz ZEZFCGBICVDVEP-HNNXBMFYSA-N 1 1 332.452 0.643 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[N@@H+]([C@@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000282101299 437009552 /nfs/dbraw/zinc/00/95/52/437009552.db2.gz WBDKFAOAIKXRBW-IAGOWNOFSA-N 1 1 346.475 0.568 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[N@H+]([C@@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000282101299 437009556 /nfs/dbraw/zinc/00/95/56/437009556.db2.gz WBDKFAOAIKXRBW-IAGOWNOFSA-N 1 1 346.475 0.568 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000264532294 437042148 /nfs/dbraw/zinc/04/21/48/437042148.db2.gz FQJUOYKNNJCMFU-UHFFFAOYSA-N 1 1 345.355 0.954 20 30 ECEDMO N#CCCCCNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284534069 437055329 /nfs/dbraw/zinc/05/53/29/437055329.db2.gz KVHOIZNVNKZVKR-UHFFFAOYSA-N 1 1 328.416 0.971 20 30 ECEDMO N#CCCCCNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284534069 437055333 /nfs/dbraw/zinc/05/53/33/437055333.db2.gz KVHOIZNVNKZVKR-UHFFFAOYSA-N 1 1 328.416 0.971 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000286429923 437090199 /nfs/dbraw/zinc/09/01/99/437090199.db2.gz HEDQUELPZNNCPQ-UHFFFAOYSA-N 1 1 342.509 0.118 20 30 ECEDMO C[N@@H+](CCC(N)=O)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000286278781 437088125 /nfs/dbraw/zinc/08/81/25/437088125.db2.gz CGPCDTYANOGQJM-UHFFFAOYSA-N 1 1 341.333 0.980 20 30 ECEDMO C[N@@H+](CCNC(=O)N1CCN(c2ncccc2C#N)CC1)C1CC1 ZINC000264842734 437093478 /nfs/dbraw/zinc/09/34/78/437093478.db2.gz KEHYNHYGRJFMHK-UHFFFAOYSA-N 1 1 328.420 0.879 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000264848755 437094432 /nfs/dbraw/zinc/09/44/32/437094432.db2.gz MPBABTDCOHKDLT-MRXNPFEDSA-N 1 1 343.431 0.151 20 30 ECEDMO CCn1cc(C#N)c(=O)n(C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1=O ZINC000303384887 437155090 /nfs/dbraw/zinc/15/50/90/437155090.db2.gz VGNFKTBCXDCMFX-MRXNPFEDSA-N 1 1 342.399 0.394 20 30 ECEDMO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)N(C)C2CC2)CC1 ZINC000303982229 437157368 /nfs/dbraw/zinc/15/73/68/437157368.db2.gz PYLXPSZOBDRBSJ-LBPRGKRZSA-N 1 1 325.457 0.994 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2CCO)CC1 ZINC000305722616 437162177 /nfs/dbraw/zinc/16/21/77/437162177.db2.gz CSWQKFZBYQUZET-DLBZAZTESA-N 1 1 336.480 0.916 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCOC[C@@H]2C#N)CC1=O ZINC000175879330 437119630 /nfs/dbraw/zinc/11/96/30/437119630.db2.gz FLANJZVDESKKGO-ILXRZTDVSA-N 1 1 334.420 0.070 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000331556930 437120005 /nfs/dbraw/zinc/12/00/05/437120005.db2.gz GCPUZZYVJDHKRJ-HNNXBMFYSA-N 1 1 335.408 0.057 20 30 ECEDMO N#C[C@H]1COCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000175885979 437123870 /nfs/dbraw/zinc/12/38/70/437123870.db2.gz RLWCCRDBAUFMNR-KRWDZBQOSA-N 1 1 328.416 0.555 20 30 ECEDMO CN1CC[NH+](Cc2ccc(C(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 ZINC000332191316 437209779 /nfs/dbraw/zinc/20/97/79/437209779.db2.gz PMHGZFZXAPKMKU-KRWDZBQOSA-N 1 1 328.416 0.799 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000333345346 437268357 /nfs/dbraw/zinc/26/83/57/437268357.db2.gz UMZGALFBPOZCAS-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000333345346 437268361 /nfs/dbraw/zinc/26/83/61/437268361.db2.gz UMZGALFBPOZCAS-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)C[C@@H]3CCOC3)CC2)o1 ZINC000178779393 437230077 /nfs/dbraw/zinc/23/00/77/437230077.db2.gz BUXBJPRFJVOXSY-AWEZNQCLSA-N 1 1 347.419 0.472 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)C[C@@H](C)C2=O)C1 ZINC000328827512 437269595 /nfs/dbraw/zinc/26/95/95/437269595.db2.gz ILPLZEMVHWSNMX-CHWSQXEVSA-N 1 1 325.409 0.695 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](CCC(=O)NC(N)=O)CC2)c(Cl)c1 ZINC000277669886 437242993 /nfs/dbraw/zinc/24/29/93/437242993.db2.gz FPYDDDCUSIKAHN-UHFFFAOYSA-N 1 1 335.795 0.919 20 30 ECEDMO C=CCCCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000288280832 437303740 /nfs/dbraw/zinc/30/37/40/437303740.db2.gz ZZEYHKUOVJQZDN-QGZVFWFLSA-N 1 1 345.443 0.952 20 30 ECEDMO C[NH+](C)[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cccs1 ZINC000336908939 437308932 /nfs/dbraw/zinc/30/89/32/437308932.db2.gz VXJKSDMHVGEFSH-RYUDHWBXSA-N 1 1 344.462 0.410 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000336919586 437310756 /nfs/dbraw/zinc/31/07/56/437310756.db2.gz QEMFBKXKRCOBQH-ILXRZTDVSA-N 1 1 346.497 0.802 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)N1CC[NH+](C)CC1 ZINC000329090989 437316968 /nfs/dbraw/zinc/31/69/68/437316968.db2.gz WSUPDYGOFCEDGZ-XJKCOSOUSA-N 1 1 348.451 0.284 20 30 ECEDMO O=C(C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)NC1CCOCC1 ZINC000329114219 437320354 /nfs/dbraw/zinc/32/03/54/437320354.db2.gz HQGPQNSXPVLJRR-KRWDZBQOSA-N 1 1 339.436 0.571 20 30 ECEDMO O=C(C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)NC1CCOCC1 ZINC000329114219 437320355 /nfs/dbraw/zinc/32/03/55/437320355.db2.gz HQGPQNSXPVLJRR-KRWDZBQOSA-N 1 1 339.436 0.571 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C1 ZINC000328858632 437272299 /nfs/dbraw/zinc/27/22/99/437272299.db2.gz DQSRNEJPMNRZME-ZNMIVQPWSA-N 1 1 326.441 0.026 20 30 ECEDMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328927890 437287012 /nfs/dbraw/zinc/28/70/12/437287012.db2.gz XJZJTYNKWCCJRK-SNPRPXQTSA-N 1 1 338.452 0.357 20 30 ECEDMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328927890 437287014 /nfs/dbraw/zinc/28/70/14/437287014.db2.gz XJZJTYNKWCCJRK-SNPRPXQTSA-N 1 1 338.452 0.357 20 30 ECEDMO O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000328941344 437288573 /nfs/dbraw/zinc/28/85/73/437288573.db2.gz KZLDWJZOJSERGH-NEPJUHHUSA-N 1 1 329.422 0.776 20 30 ECEDMO O=C(C[N@H+]1CC[C@@H](C2CC2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000328941344 437288575 /nfs/dbraw/zinc/28/85/75/437288575.db2.gz KZLDWJZOJSERGH-NEPJUHHUSA-N 1 1 329.422 0.776 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000334018820 437293746 /nfs/dbraw/zinc/29/37/46/437293746.db2.gz RQQGGAJAOAISQP-KGLIPLIRSA-N 1 1 336.436 0.721 20 30 ECEDMO C[C@@H](C#N)CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000182421813 437348954 /nfs/dbraw/zinc/34/89/54/437348954.db2.gz JWYMLBRXQQVZSR-AWEZNQCLSA-N 1 1 331.424 0.448 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCS(=O)(=O)C2)C[N@@H+]1C1CC1 ZINC000329300736 437349221 /nfs/dbraw/zinc/34/92/21/437349221.db2.gz VMRBQXNOLZHTDM-UPJWGTAASA-N 1 1 329.466 0.940 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCS(=O)(=O)C2)C[N@H+]1C1CC1 ZINC000329300736 437349226 /nfs/dbraw/zinc/34/92/26/437349226.db2.gz VMRBQXNOLZHTDM-UPJWGTAASA-N 1 1 329.466 0.940 20 30 ECEDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329345978 437355322 /nfs/dbraw/zinc/35/53/22/437355322.db2.gz REHUYDWWXQHXBP-WOSRLPQWSA-N 1 1 348.451 0.489 20 30 ECEDMO C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329363910 437357102 /nfs/dbraw/zinc/35/71/02/437357102.db2.gz ZTOKHJOJTZRZPQ-NSHDSACASA-N 1 1 330.454 0.509 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000329408407 437365646 /nfs/dbraw/zinc/36/56/46/437365646.db2.gz BJYDSJKEULNJKX-WBMJQRKESA-N 1 1 337.424 0.114 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C1 ZINC000329137173 437323483 /nfs/dbraw/zinc/32/34/83/437323483.db2.gz RHZOSQFXZPHBPJ-JONQDZQNSA-N 1 1 341.452 0.483 20 30 ECEDMO CNC(=O)[C@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@@H]1c1cnn(C)c1 ZINC000329150646 437327191 /nfs/dbraw/zinc/32/71/91/437327191.db2.gz ZRHKWRTXHGHAHB-CABCVRRESA-N 1 1 333.436 0.890 20 30 ECEDMO C=CCNC(=O)CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000181720402 437328258 /nfs/dbraw/zinc/32/82/58/437328258.db2.gz UEIOGTKVQCCJBA-UHFFFAOYSA-N 1 1 330.432 0.223 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000337078740 437328887 /nfs/dbraw/zinc/32/88/87/437328887.db2.gz VGLUSNSMZFDJQM-CYBMUJFWSA-N 1 1 346.453 0.036 20 30 ECEDMO Cc1noc([C@@H]2CN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CCN2C)n1 ZINC000329187347 437332068 /nfs/dbraw/zinc/33/20/68/437332068.db2.gz PBRYZKZDQPZDTM-OLZOCXBDSA-N 1 1 345.407 0.792 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000337202226 437339959 /nfs/dbraw/zinc/33/99/59/437339959.db2.gz DULCCKXNEYAUSR-OAHLLOKOSA-N 1 1 344.415 0.833 20 30 ECEDMO Cc1nnc(CCNC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)s1 ZINC000329749432 437409267 /nfs/dbraw/zinc/40/92/67/437409267.db2.gz UGPXOXHUFCNGQK-WCQYABFASA-N 1 1 339.465 0.956 20 30 ECEDMO CSC1(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCOCC1 ZINC000329807954 437416887 /nfs/dbraw/zinc/41/68/87/437416887.db2.gz PAKPXPCTTSJOJQ-ZDUSSCGKSA-N 1 1 330.498 0.648 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 ZINC000329813655 437417065 /nfs/dbraw/zinc/41/70/65/437417065.db2.gz TVAGJWIFLLLRTL-LLVKDONJSA-N 1 1 339.421 0.695 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 ZINC000329813655 437417067 /nfs/dbraw/zinc/41/70/67/437417067.db2.gz TVAGJWIFLLLRTL-LLVKDONJSA-N 1 1 339.421 0.695 20 30 ECEDMO Cn1cc(C2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)cn1 ZINC000329848453 437420613 /nfs/dbraw/zinc/42/06/13/437420613.db2.gz PPTZLQOHLDPASD-INIZCTEOSA-N 1 1 334.468 0.759 20 30 ECEDMO Cc1ccn(C)c(=O)c1NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000329847345 437420724 /nfs/dbraw/zinc/42/07/24/437420724.db2.gz MSCBFXILXFCHFP-CYBMUJFWSA-N 1 1 335.452 0.903 20 30 ECEDMO N#CCCOCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000338901021 437424464 /nfs/dbraw/zinc/42/44/64/437424464.db2.gz CLTWAKHMMDQCDL-UHFFFAOYSA-N 1 1 338.433 0.386 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)c1cncc(C#N)c1 ZINC000290225495 437472242 /nfs/dbraw/zinc/47/22/42/437472242.db2.gz XAQDCDCIBMTTDV-UHFFFAOYSA-N 1 1 339.465 0.457 20 30 ECEDMO CN(CCCN(C)S(=O)(=O)c1cncc(C#N)c1)CC[NH+](C)C ZINC000290225495 437472245 /nfs/dbraw/zinc/47/22/45/437472245.db2.gz XAQDCDCIBMTTDV-UHFFFAOYSA-N 1 1 339.465 0.457 20 30 ECEDMO CCn1cnnc1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000330273383 437478218 /nfs/dbraw/zinc/47/82/18/437478218.db2.gz ZDVGDKXZSLHOEV-CYBMUJFWSA-N 1 1 336.440 0.897 20 30 ECEDMO CC(C)[NH+]1CCC(O)(CNC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330280340 437479041 /nfs/dbraw/zinc/47/90/41/437479041.db2.gz SGUSFNRYRHEBCQ-CQSZACIVSA-N 1 1 335.452 0.937 20 30 ECEDMO CC(C)[NH+]1CCC(O)(C[NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CC1 ZINC000330280340 437479046 /nfs/dbraw/zinc/47/90/46/437479046.db2.gz SGUSFNRYRHEBCQ-CQSZACIVSA-N 1 1 335.452 0.937 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000330282726 437479419 /nfs/dbraw/zinc/47/94/19/437479419.db2.gz VOSQGFQCSNEFTD-HNNXBMFYSA-N 1 1 348.451 0.857 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)C1 ZINC000329934559 437432240 /nfs/dbraw/zinc/43/22/40/437432240.db2.gz JWRCQGOAGPWEMH-IJEWVQPXSA-N 1 1 327.425 0.501 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@H](C)c2ncnn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000329943067 437434125 /nfs/dbraw/zinc/43/41/25/437434125.db2.gz VXDYNOIQWMHMFM-MCIONIFRSA-N 1 1 336.440 0.833 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)CC2)CC1 ZINC000330005109 437444025 /nfs/dbraw/zinc/44/40/25/437444025.db2.gz BPJVEYBVDIVQME-FICVDOATSA-N 1 1 336.436 0.031 20 30 ECEDMO COCC1=CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000185839679 437452543 /nfs/dbraw/zinc/45/25/43/437452543.db2.gz IUVMBLGJVDHFHD-KRWDZBQOSA-N 1 1 334.464 0.957 20 30 ECEDMO COCC1=CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000185839679 437452546 /nfs/dbraw/zinc/45/25/46/437452546.db2.gz IUVMBLGJVDHFHD-KRWDZBQOSA-N 1 1 334.464 0.957 20 30 ECEDMO COCC1=CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000185839659 437452610 /nfs/dbraw/zinc/45/26/10/437452610.db2.gz IUVMBLGJVDHFHD-QGZVFWFLSA-N 1 1 334.464 0.957 20 30 ECEDMO COCC1=CC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000185839659 437452614 /nfs/dbraw/zinc/45/26/14/437452614.db2.gz IUVMBLGJVDHFHD-QGZVFWFLSA-N 1 1 334.464 0.957 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCCO2)CC1 ZINC000330125789 437457241 /nfs/dbraw/zinc/45/72/41/437457241.db2.gz MDJBDNOBLNFMOT-HUUCEWRRSA-N 1 1 338.452 0.708 20 30 ECEDMO CN1CCN(C)[C@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000330165831 437463215 /nfs/dbraw/zinc/46/32/15/437463215.db2.gz UVNDLHXNGPPREZ-UKRRQHHQSA-N 1 1 329.514 0.173 20 30 ECEDMO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000330186977 437466799 /nfs/dbraw/zinc/46/67/99/437466799.db2.gz SNSLVMISVNRINT-QLFBSQMISA-N 1 1 327.425 0.501 20 30 ECEDMO COCCN1CN(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC000330391025 437499955 /nfs/dbraw/zinc/49/99/55/437499955.db2.gz HCHDRZNQORAUSW-ZIAGYGMSSA-N 1 1 326.441 0.769 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000354171925 437549823 /nfs/dbraw/zinc/54/98/23/437549823.db2.gz AQNGXXCMSGEUEZ-AWEZNQCLSA-N 1 1 348.378 0.863 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)C(N)=O)CC1 ZINC000330683218 437588468 /nfs/dbraw/zinc/58/84/68/437588468.db2.gz OWNPPPCGKPHWFK-UHFFFAOYSA-N 1 1 327.429 0.604 20 30 ECEDMO C=C[C@H](CO)NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000291436659 437590001 /nfs/dbraw/zinc/59/00/01/437590001.db2.gz ZNRMBBWCQYRLSR-OAHLLOKOSA-N 1 1 333.436 0.440 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000343739810 437643348 /nfs/dbraw/zinc/64/33/48/437643348.db2.gz NEIYXXIJAAOYTK-GOEBONIOSA-N 1 1 336.480 0.552 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000354944626 437659408 /nfs/dbraw/zinc/65/94/08/437659408.db2.gz RHWLKCDUTDDWHH-AWEZNQCLSA-N 1 1 349.435 0.577 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C)S(=O)(=O)CC2)CC1 ZINC000192386287 437675409 /nfs/dbraw/zinc/67/54/09/437675409.db2.gz QCRZIRYCVYYHIT-ZDUSSCGKSA-N 1 1 329.466 0.855 20 30 ECEDMO C[N@H+]1CC[C@]2(CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)C1 ZINC000292391337 437685779 /nfs/dbraw/zinc/68/57/79/437685779.db2.gz YAXWIFLJWDXLMA-SFHVURJKSA-N 1 1 326.400 0.842 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(C)[C@H]2C)CC1 ZINC000343898552 437687034 /nfs/dbraw/zinc/68/70/34/437687034.db2.gz ZNFJSOBQOAVNAF-HOCLYGCPSA-N 1 1 336.480 0.742 20 30 ECEDMO C[C@@H]1C[N@H+](CCN2CCN(c3nccnc3C#N)C[C@H]2C)CCO1 ZINC000192756856 437692558 /nfs/dbraw/zinc/69/25/58/437692558.db2.gz GLVCRWIOSHUGDW-HUUCEWRRSA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCN(c3nccnc3C#N)C[C@H]2C)CCO1 ZINC000192756856 437692560 /nfs/dbraw/zinc/69/25/60/437692560.db2.gz GLVCRWIOSHUGDW-HUUCEWRRSA-N 1 1 330.436 0.579 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000363078017 437768722 /nfs/dbraw/zinc/76/87/22/437768722.db2.gz FVLAAJAQTFHLEA-KFWWJZLASA-N 1 1 331.420 0.761 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000363078017 437768729 /nfs/dbraw/zinc/76/87/29/437768729.db2.gz FVLAAJAQTFHLEA-KFWWJZLASA-N 1 1 331.420 0.761 20 30 ECEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCC(=O)NCC#N)C1CC1 ZINC000345821330 437799257 /nfs/dbraw/zinc/79/92/57/437799257.db2.gz JTHDWQQZJHEFOX-MRXNPFEDSA-N 1 1 343.431 0.836 20 30 ECEDMO N#CCc1cccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000371029661 437870539 /nfs/dbraw/zinc/87/05/39/437870539.db2.gz YGZIPOOXCOETPV-GOSISDBHSA-N 1 1 342.443 0.889 20 30 ECEDMO C[C@@]1(F)C[NH2+]CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000415791300 437860380 /nfs/dbraw/zinc/86/03/80/437860380.db2.gz ULUYVNTXJSNFIC-CQSZACIVSA-N 1 1 339.758 0.705 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000416439225 437932069 /nfs/dbraw/zinc/93/20/69/437932069.db2.gz LRWXZSYOCKBFIH-FVQBIDKESA-N 1 1 337.445 0.701 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000416439225 437932073 /nfs/dbraw/zinc/93/20/73/437932073.db2.gz LRWXZSYOCKBFIH-FVQBIDKESA-N 1 1 337.445 0.701 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000416449146 437935277 /nfs/dbraw/zinc/93/52/77/437935277.db2.gz ITIDPUXVOHQNPU-KBMXLJTQSA-N 1 1 337.445 0.701 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000416449147 437933770 /nfs/dbraw/zinc/93/37/70/437933770.db2.gz ITIDPUXVOHQNPU-VNQPRFMTSA-N 1 1 337.445 0.701 20 30 ECEDMO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)[C@H]1C(=O)OC ZINC000357022051 437889458 /nfs/dbraw/zinc/88/94/58/437889458.db2.gz RZVMDXXFDVUPHH-TZMCWYRMSA-N 1 1 339.392 0.175 20 30 ECEDMO COC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)[C@H]1C(=O)OC ZINC000357022051 437889464 /nfs/dbraw/zinc/88/94/64/437889464.db2.gz RZVMDXXFDVUPHH-TZMCWYRMSA-N 1 1 339.392 0.175 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000342024648 437946168 /nfs/dbraw/zinc/94/61/68/437946168.db2.gz OPPMJBBESKCOBH-AWEZNQCLSA-N 1 1 325.453 0.932 20 30 ECEDMO C[C@@H](CO)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000342084041 437962431 /nfs/dbraw/zinc/96/24/31/437962431.db2.gz QQTAROAOWZIWQA-WMLDXEAASA-N 1 1 348.422 0.847 20 30 ECEDMO COC(=O)[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@H+](C)C1 ZINC000416592604 437969434 /nfs/dbraw/zinc/96/94/34/437969434.db2.gz UYLFYBDLWVBVNZ-LBPRGKRZSA-N 1 1 329.422 0.047 20 30 ECEDMO COC(=O)[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@@H+](C)C1 ZINC000416592604 437969437 /nfs/dbraw/zinc/96/94/37/437969437.db2.gz UYLFYBDLWVBVNZ-LBPRGKRZSA-N 1 1 329.422 0.047 20 30 ECEDMO C=CCCCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000342480646 438016164 /nfs/dbraw/zinc/01/61/64/438016164.db2.gz AXEJESSGUSUCJL-SJPCQFCGSA-N 1 1 348.491 0.838 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N2CCCS(=O)(=O)CC2)CC1 ZINC000372449278 438088694 /nfs/dbraw/zinc/08/86/94/438088694.db2.gz FZWUXZKRFFRUGH-UHFFFAOYSA-N 1 1 329.466 0.857 20 30 ECEDMO C[C@@H](C(=O)Nc1ccccc1-n1cnc(C#N)n1)N1CC[NH+](C)CC1 ZINC000366544049 438091296 /nfs/dbraw/zinc/09/12/96/438091296.db2.gz KFSJVWNMLCXELN-ZDUSSCGKSA-N 1 1 339.403 0.713 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C ZINC000429386021 438099086 /nfs/dbraw/zinc/09/90/86/438099086.db2.gz OMJYJWDALULUDQ-AGIUHOORSA-N 1 1 325.409 0.906 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000366729294 438118732 /nfs/dbraw/zinc/11/87/32/438118732.db2.gz LBHYQPJMEOQCNX-INIZCTEOSA-N 1 1 343.431 0.711 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000366729294 438118736 /nfs/dbraw/zinc/11/87/36/438118736.db2.gz LBHYQPJMEOQCNX-INIZCTEOSA-N 1 1 343.431 0.711 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000358066828 438138680 /nfs/dbraw/zinc/13/86/80/438138680.db2.gz MZMZITMXOLQJNR-HOTGVXAUSA-N 1 1 325.409 0.431 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]3COC[C@H]32)CC1 ZINC000367076947 438163329 /nfs/dbraw/zinc/16/33/29/438163329.db2.gz DZOWZBNWSGEJRB-GVDBMIGSSA-N 1 1 334.464 0.790 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000374310851 438202829 /nfs/dbraw/zinc/20/28/29/438202829.db2.gz QNGCJBBSRMYHNM-ZIAGYGMSSA-N 1 1 335.408 0.320 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1CCO ZINC000351413529 438263632 /nfs/dbraw/zinc/26/36/32/438263632.db2.gz LYYDBNNCRVDYMH-PBHICJAKSA-N 1 1 326.400 0.766 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1CCO ZINC000351413529 438263635 /nfs/dbraw/zinc/26/36/35/438263635.db2.gz LYYDBNNCRVDYMH-PBHICJAKSA-N 1 1 326.400 0.766 20 30 ECEDMO CC(C)n1nc2c(cc1=O)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000375860980 438263960 /nfs/dbraw/zinc/26/39/60/438263960.db2.gz OQLHWZVAVZRYNR-CYBMUJFWSA-N 1 1 331.420 0.943 20 30 ECEDMO CC(C)n1nc2c(cc1=O)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000375860980 438263968 /nfs/dbraw/zinc/26/39/68/438263968.db2.gz OQLHWZVAVZRYNR-CYBMUJFWSA-N 1 1 331.420 0.943 20 30 ECEDMO O=C(C#Cc1ccccc1)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000376104893 438270407 /nfs/dbraw/zinc/27/04/07/438270407.db2.gz YIAZOPLARKRGLO-UHFFFAOYSA-N 1 1 341.455 0.905 20 30 ECEDMO N#CCC1(O)CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000376448388 438282979 /nfs/dbraw/zinc/28/29/79/438282979.db2.gz NGGFDTWLOSFVET-INIZCTEOSA-N 1 1 329.400 0.671 20 30 ECEDMO C#CCC(CC#C)C(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000376795363 438293131 /nfs/dbraw/zinc/29/31/31/438293131.db2.gz CMOSFJTZXGIICU-KRWDZBQOSA-N 1 1 329.444 0.662 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000434714166 438319333 /nfs/dbraw/zinc/31/93/33/438319333.db2.gz NVADXEUWPQWCGP-IUODEOHRSA-N 1 1 336.436 0.098 20 30 ECEDMO O=C(NCC#Cc1ccccc1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419114753 438327701 /nfs/dbraw/zinc/32/77/01/438327701.db2.gz MYCFZKRNLXYIPO-SFHVURJKSA-N 1 1 348.406 0.722 20 30 ECEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCC(=O)NCC#N)C1 ZINC000377058775 438303019 /nfs/dbraw/zinc/30/30/19/438303019.db2.gz ANVGHYUQAMHQHS-OAHLLOKOSA-N 1 1 329.404 0.542 20 30 ECEDMO Cc1[nH]nc(NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)c1C#N ZINC000377271955 438307628 /nfs/dbraw/zinc/30/76/28/438307628.db2.gz YFUCXZBBLGHCKS-UHFFFAOYSA-N 1 1 327.392 1.267 20 30 ECEDMO Cc1[nH]nc(NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)c1C#N ZINC000377271955 438307633 /nfs/dbraw/zinc/30/76/33/438307633.db2.gz YFUCXZBBLGHCKS-UHFFFAOYSA-N 1 1 327.392 1.267 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)CCCCCO)CC2)o1 ZINC000434681588 438316601 /nfs/dbraw/zinc/31/66/01/438316601.db2.gz QDVKFQMAWVSOCZ-UHFFFAOYSA-N 1 1 349.435 0.598 20 30 ECEDMO CNC(=O)CN1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000368828256 438384990 /nfs/dbraw/zinc/38/49/90/438384990.db2.gz DZPRIYJWOAOUDT-MRXNPFEDSA-N 1 1 346.431 0.052 20 30 ECEDMO C#CC[N@@H+](C)CCCNc1ncc(I)cn1 ZINC000382246646 438413672 /nfs/dbraw/zinc/41/36/72/438413672.db2.gz TZMNHKGJGXYZRE-UHFFFAOYSA-N 1 1 330.173 1.448 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000359352682 438417319 /nfs/dbraw/zinc/41/73/19/438417319.db2.gz PCNWXTHYJIIKLP-OAHLLOKOSA-N 1 1 349.479 0.100 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000407958789 438472726 /nfs/dbraw/zinc/47/27/26/438472726.db2.gz RWDGCEIJRACKLT-OLZOCXBDSA-N 1 1 332.470 0.100 20 30 ECEDMO N#CCNC(=O)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352881378 438487829 /nfs/dbraw/zinc/48/78/29/438487829.db2.gz ZESJNZQTFXBMNL-GOSISDBHSA-N 1 1 341.459 0.518 20 30 ECEDMO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000352940237 438491020 /nfs/dbraw/zinc/49/10/20/438491020.db2.gz LTIDHFIIKBFVHU-LBPRGKRZSA-N 1 1 343.478 0.765 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)N1CCN(C)[C@H](C#N)C1 ZINC000369588974 438492978 /nfs/dbraw/zinc/49/29/78/438492978.db2.gz UBWPNYSDMPPMTP-WCXIOVBPSA-N 1 1 349.479 0.725 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000369312916 438452096 /nfs/dbraw/zinc/45/20/96/438452096.db2.gz UIXAFEVXFVQPLN-AWEZNQCLSA-N 1 1 342.465 0.248 20 30 ECEDMO CN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000353313743 438504612 /nfs/dbraw/zinc/50/46/12/438504612.db2.gz BJMUBCVYZGTEPJ-MRXNPFEDSA-N 1 1 326.400 0.983 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CCN2C1=O ZINC000359880828 438514349 /nfs/dbraw/zinc/51/43/49/438514349.db2.gz SYHOFRUWXSBNRR-OAHLLOKOSA-N 1 1 328.372 0.905 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000370080415 438550518 /nfs/dbraw/zinc/55/05/18/438550518.db2.gz FXRIHRHHEHTFQC-SJLPKXTDSA-N 1 1 334.464 0.526 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000453814824 438696054 /nfs/dbraw/zinc/69/60/54/438696054.db2.gz GHSURXJJGHABSV-HNNXBMFYSA-N 1 1 344.415 0.768 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC12COC2 ZINC000451140004 438696663 /nfs/dbraw/zinc/69/66/63/438696663.db2.gz SQYYSIGSGNYEIP-XJKSGUPXSA-N 1 1 337.420 0.552 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC12COC2 ZINC000451140004 438696664 /nfs/dbraw/zinc/69/66/64/438696664.db2.gz SQYYSIGSGNYEIP-XJKSGUPXSA-N 1 1 337.420 0.552 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)CC12COC2 ZINC000451123225 438697083 /nfs/dbraw/zinc/69/70/83/438697083.db2.gz CEOKNIPDFSJBML-AWEZNQCLSA-N 1 1 349.431 0.841 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC12COC2 ZINC000451123225 438697085 /nfs/dbraw/zinc/69/70/85/438697085.db2.gz CEOKNIPDFSJBML-AWEZNQCLSA-N 1 1 349.431 0.841 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000451441279 438697953 /nfs/dbraw/zinc/69/79/53/438697953.db2.gz YIPQYEWZGOESPP-BBRMVZONSA-N 1 1 344.406 0.381 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000451441279 438697955 /nfs/dbraw/zinc/69/79/55/438697955.db2.gz YIPQYEWZGOESPP-BBRMVZONSA-N 1 1 344.406 0.381 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@]2(C#N)CCOC2)CC1=O ZINC000548468574 438729095 /nfs/dbraw/zinc/72/90/95/438729095.db2.gz AEEXRIVFPSEQBE-JJRVBVJISA-N 1 1 334.420 0.118 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)n(CCC#N)n1 ZINC000551690265 438737679 /nfs/dbraw/zinc/73/76/79/438737679.db2.gz FSSZCGIRVUNGSH-QGZVFWFLSA-N 1 1 344.419 0.598 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC001041730481 782070648 /nfs/dbraw/zinc/07/06/48/782070648.db2.gz QDTXVWFVJSTVBC-QGZVFWFLSA-N 1 1 330.436 0.744 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NCCCCN1CC[NH+](C)CC1 ZINC000554658732 438767267 /nfs/dbraw/zinc/76/72/67/438767267.db2.gz MSQFQLGPWDXPIZ-CQSZACIVSA-N 1 1 331.486 0.082 20 30 ECEDMO C[NH+]1CCN(C(=O)c2ccc(CNc3ccnc(C#N)n3)cc2)CC1 ZINC000576647481 438792508 /nfs/dbraw/zinc/79/25/08/438792508.db2.gz DZBHKWBYELTVKA-UHFFFAOYSA-N 1 1 336.399 0.770 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595550331 438820124 /nfs/dbraw/zinc/82/01/24/438820124.db2.gz HAZDUOZQEWGRFF-JFIYKMOQSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](C)CN1CCO ZINC000595550331 438820125 /nfs/dbraw/zinc/82/01/25/438820125.db2.gz HAZDUOZQEWGRFF-JFIYKMOQSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](C)CN1CCO ZINC000595550331 438820130 /nfs/dbraw/zinc/82/01/30/438820130.db2.gz HAZDUOZQEWGRFF-JFIYKMOQSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](C)C[N@H+]1CCO ZINC000595550336 438823746 /nfs/dbraw/zinc/82/37/46/438823746.db2.gz HAZDUOZQEWGRFF-RYRKJORJSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](C)CN1CCO ZINC000595550336 438823750 /nfs/dbraw/zinc/82/37/50/438823750.db2.gz HAZDUOZQEWGRFF-RYRKJORJSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](C)CN1CCO ZINC000595550336 438823753 /nfs/dbraw/zinc/82/37/53/438823753.db2.gz HAZDUOZQEWGRFF-RYRKJORJSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1COCC[N@H+]1C1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000559639629 438836840 /nfs/dbraw/zinc/83/68/40/438836840.db2.gz MJOCGBASJPJJNG-RDTXWAMCSA-N 1 1 334.464 0.980 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1 ZINC000595738465 438854994 /nfs/dbraw/zinc/85/49/94/438854994.db2.gz ISJVJXGDSAGYEJ-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cnn2cc(C[NH2+]CCS(=O)(=O)NCC3CCC3)cnc12 ZINC000564989492 438901869 /nfs/dbraw/zinc/90/18/69/438901869.db2.gz NSDSSYMQTJULNK-UHFFFAOYSA-N 1 1 348.432 0.410 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589454289 438871628 /nfs/dbraw/zinc/87/16/28/438871628.db2.gz VFRJXYJJLHRQPH-HNNXBMFYSA-N 1 1 327.388 0.332 20 30 ECEDMO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000601392040 438872961 /nfs/dbraw/zinc/87/29/61/438872961.db2.gz DMWXPJWDVKQZEL-CQSZACIVSA-N 1 1 327.381 0.351 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(c3cc(C#N)cnn3)CC2)CC1 ZINC000596120149 438927885 /nfs/dbraw/zinc/92/78/85/438927885.db2.gz GJQIRDVKOWXJHB-UHFFFAOYSA-N 1 1 328.420 0.729 20 30 ECEDMO C=CCCCCCNC(=O)C(=O)NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000565221325 438930959 /nfs/dbraw/zinc/93/09/59/438930959.db2.gz IFSGWIFZNGKLGB-UHFFFAOYSA-N 1 1 348.451 0.751 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000565245403 438936327 /nfs/dbraw/zinc/93/63/27/438936327.db2.gz MERGWRRCJRMJGG-UHFFFAOYSA-N 1 1 337.445 0.975 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000590600425 438938767 /nfs/dbraw/zinc/93/87/67/438938767.db2.gz OLTOXAAXIYAJRQ-UHFFFAOYSA-N 1 1 330.396 0.222 20 30 ECEDMO COC(=O)c1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(C#N)n1 ZINC000596537375 438974505 /nfs/dbraw/zinc/97/45/05/438974505.db2.gz DQJHFHXYUHOZOM-CYBMUJFWSA-N 1 1 330.388 0.775 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)NCCc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000596669523 438988227 /nfs/dbraw/zinc/98/82/27/438988227.db2.gz OBZSIWDXWKEDAA-MRXNPFEDSA-N 1 1 344.415 0.847 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000579352205 439001225 /nfs/dbraw/zinc/00/12/25/439001225.db2.gz ZUKNTKUYIJNFJB-CYBMUJFWSA-N 1 1 331.376 0.119 20 30 ECEDMO C[N@@H+](C[C@H](O)CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000566123388 439009749 /nfs/dbraw/zinc/00/97/49/439009749.db2.gz IVRCLNNEGNFDOZ-MSOLQXFVSA-N 1 1 342.443 0.704 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000579854659 439043753 /nfs/dbraw/zinc/04/37/53/439043753.db2.gz HRTFTQAKDKVVDI-INIZCTEOSA-N 1 1 333.436 0.014 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597221947 439059240 /nfs/dbraw/zinc/05/92/40/439059240.db2.gz YQVQRRVGKGXZED-UHFFFAOYSA-N 1 1 336.342 0.730 20 30 ECEDMO CC1(C)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](CO)O1 ZINC000591475979 439018365 /nfs/dbraw/zinc/01/83/65/439018365.db2.gz HCAPFVKBHIFARF-RDJZCZTQSA-N 1 1 334.416 0.964 20 30 ECEDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](CO)O1 ZINC000591475979 439018369 /nfs/dbraw/zinc/01/83/69/439018369.db2.gz HCAPFVKBHIFARF-RDJZCZTQSA-N 1 1 334.416 0.964 20 30 ECEDMO CN(C)CC[NH+]1CCC(NC(=O)N2CCN(CCC#N)CC2)CC1 ZINC000602226345 439040556 /nfs/dbraw/zinc/04/05/56/439040556.db2.gz GBVHCCSIYULERG-UHFFFAOYSA-N 1 1 336.484 0.253 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@@](O)(CC#N)C2)C[C@H](C)O1 ZINC000591902371 439108665 /nfs/dbraw/zinc/10/86/65/439108665.db2.gz KPYHMPBEZDGHHL-VBQJREDUSA-N 1 1 338.452 0.934 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@](O)(CC#N)C2)C[C@H](C)O1 ZINC000591902371 439108670 /nfs/dbraw/zinc/10/86/70/439108670.db2.gz KPYHMPBEZDGHHL-VBQJREDUSA-N 1 1 338.452 0.934 20 30 ECEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)C1 ZINC000580271226 439075461 /nfs/dbraw/zinc/07/54/61/439075461.db2.gz KHRHCSGZEKVXOE-SCRDCRAPSA-N 1 1 331.420 0.122 20 30 ECEDMO COC(=O)CN(CC#N)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523131266 439163164 /nfs/dbraw/zinc/16/31/64/439163164.db2.gz QVZWNTNASLPUKA-HNNXBMFYSA-N 1 1 330.388 0.819 20 30 ECEDMO N#CC1(Cc2cn(C[C@H](O)C[NH+]3CCOCC3)nn2)CCCCC1 ZINC000603260080 439223123 /nfs/dbraw/zinc/22/31/23/439223123.db2.gz QNABZWHZIPEGSF-MRXNPFEDSA-N 1 1 333.436 0.988 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1CC(=O)N(CCC#N)CCC#N ZINC000488700542 439197647 /nfs/dbraw/zinc/19/76/47/439197647.db2.gz QNYGGIINZGEUDW-MRXNPFEDSA-N 1 1 347.463 0.827 20 30 ECEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](O)C(F)(F)F ZINC000592431445 439227510 /nfs/dbraw/zinc/22/75/10/439227510.db2.gz ZLJMEGOFWXCUQO-KCJUWKMLSA-N 1 1 337.323 0.628 20 30 ECEDMO C=CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000568754367 439275196 /nfs/dbraw/zinc/27/51/96/439275196.db2.gz MYPYSAFQRLBGHU-UKRRQHHQSA-N 1 1 337.445 0.956 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000603409237 439255193 /nfs/dbraw/zinc/25/51/93/439255193.db2.gz JRIFLEYQAFEWFC-QGZVFWFLSA-N 1 1 343.431 0.480 20 30 ECEDMO C[NH+]1CCC(C#N)(NC(=O)c2cc(N3CCOCC3)ccn2)CC1 ZINC000527129834 439255445 /nfs/dbraw/zinc/25/54/45/439255445.db2.gz CGHNERIQTYFIJR-UHFFFAOYSA-N 1 1 329.404 0.636 20 30 ECEDMO C[C@@]1(C#N)CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000598410754 439261025 /nfs/dbraw/zinc/26/10/25/439261025.db2.gz FWBUVDUONQGACH-QAPCUYQASA-N 1 1 348.447 0.462 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@H](COC)c2ccc(F)cc2)CC1 ZINC000490922915 439313466 /nfs/dbraw/zinc/31/34/66/439313466.db2.gz HFWVZTKGDXWEEO-QGZVFWFLSA-N 1 1 333.407 0.880 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000490950027 439317691 /nfs/dbraw/zinc/31/76/91/439317691.db2.gz OFYNLPVEBQDYFK-IXDOHACOSA-N 1 1 348.491 0.531 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000491071537 439327325 /nfs/dbraw/zinc/32/73/25/439327325.db2.gz LBQKAFXMXAQTLY-GOSISDBHSA-N 1 1 342.443 0.183 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000491067867 439328423 /nfs/dbraw/zinc/32/84/23/439328423.db2.gz KOTUMKAGBCPNDA-UONOGXRCSA-N 1 1 330.450 0.593 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1csnc1C(=O)OC ZINC000491068083 439329002 /nfs/dbraw/zinc/32/90/02/439329002.db2.gz MLQPFPXNJDRMLI-UHFFFAOYSA-N 1 1 331.419 0.163 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000491125461 439334704 /nfs/dbraw/zinc/33/47/04/439334704.db2.gz FBRVLUOPBPFQRI-GJZGRUSLSA-N 1 1 332.404 0.543 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000491125122 439335680 /nfs/dbraw/zinc/33/56/80/439335680.db2.gz BAHZQIIRZWMGMN-OWCLPIDISA-N 1 1 334.464 0.141 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000490759679 439296302 /nfs/dbraw/zinc/29/63/02/439296302.db2.gz DRSMVTBAEANOEU-HNNXBMFYSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000490760767 439296692 /nfs/dbraw/zinc/29/66/92/439296692.db2.gz OWAOJJWIBVNJCU-UHFFFAOYSA-N 1 1 334.508 0.816 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000490760767 439296696 /nfs/dbraw/zinc/29/66/96/439296696.db2.gz OWAOJJWIBVNJCU-UHFFFAOYSA-N 1 1 334.508 0.816 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000490897741 439310128 /nfs/dbraw/zinc/31/01/28/439310128.db2.gz FGNQIXSSKUBPON-ZIAGYGMSSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000490897741 439310133 /nfs/dbraw/zinc/31/01/33/439310133.db2.gz FGNQIXSSKUBPON-ZIAGYGMSSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000490897739 439310392 /nfs/dbraw/zinc/31/03/92/439310392.db2.gz FGNQIXSSKUBPON-UONOGXRCSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000490897739 439310399 /nfs/dbraw/zinc/31/03/99/439310399.db2.gz FGNQIXSSKUBPON-UONOGXRCSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000490915963 439312023 /nfs/dbraw/zinc/31/20/23/439312023.db2.gz QXDADLAWWSHTLS-KBPBESRZSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000490915963 439312029 /nfs/dbraw/zinc/31/20/29/439312029.db2.gz QXDADLAWWSHTLS-KBPBESRZSA-N 1 1 349.456 0.763 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528733741 439366471 /nfs/dbraw/zinc/36/64/71/439366471.db2.gz HAYQFQKGOCULJE-UHFFFAOYSA-N 1 1 344.415 0.737 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528733741 439366476 /nfs/dbraw/zinc/36/64/76/439366476.db2.gz HAYQFQKGOCULJE-UHFFFAOYSA-N 1 1 344.415 0.737 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000528479461 439339341 /nfs/dbraw/zinc/33/93/41/439339341.db2.gz VNINZOFQPGWRMA-HUUCEWRRSA-N 1 1 342.465 0.452 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](Cc2cn(C)nc2C(=O)OCC)CC1 ZINC000491154584 439339564 /nfs/dbraw/zinc/33/95/64/439339564.db2.gz KIJOBMAZXPAVNX-UHFFFAOYSA-N 1 1 332.404 0.558 20 30 ECEDMO N#Cc1cccc(NC(=O)C2CCN(c3nc(N)nc(N)[nH+]3)CC2)c1 ZINC000599035477 439347031 /nfs/dbraw/zinc/34/70/31/439347031.db2.gz LRIKDKSZSRTVKZ-UHFFFAOYSA-N 1 1 338.375 0.424 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC=C(c3ccnn3C)CC2)CC1 ZINC000491210449 439350682 /nfs/dbraw/zinc/35/06/82/439350682.db2.gz ULTJPEPFMZDQOV-UHFFFAOYSA-N 1 1 327.432 0.287 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC=C(c3ccnn3C)CC2)CC1 ZINC000491210449 439350688 /nfs/dbraw/zinc/35/06/88/439350688.db2.gz ULTJPEPFMZDQOV-UHFFFAOYSA-N 1 1 327.432 0.287 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)CC1 ZINC000491241477 439354934 /nfs/dbraw/zinc/35/49/34/439354934.db2.gz JONDCRNQCVDFLD-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)CC1 ZINC000491241477 439354937 /nfs/dbraw/zinc/35/49/37/439354937.db2.gz JONDCRNQCVDFLD-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1C(=O)C[C@H](N2CCC(OCC[NH+](CC)CC)CC2)C1=O ZINC000491327484 439366262 /nfs/dbraw/zinc/36/62/62/439366262.db2.gz VTRDOEFYVHVMRL-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCC(=O)NCC#N)cc1 ZINC000599154914 439369753 /nfs/dbraw/zinc/36/97/53/439369753.db2.gz PRBWOMDMFHDJIE-CQSZACIVSA-N 1 1 345.403 0.208 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCC(=O)NCC#N)cc1 ZINC000599154914 439369757 /nfs/dbraw/zinc/36/97/57/439369757.db2.gz PRBWOMDMFHDJIE-CQSZACIVSA-N 1 1 345.403 0.208 20 30 ECEDMO CN1CC[NH+](CCCCNS(=O)(=O)c2ccsc2C#N)CC1 ZINC000593528301 439394861 /nfs/dbraw/zinc/39/48/61/439394861.db2.gz LHNQBFBDDADHQH-UHFFFAOYSA-N 1 1 342.490 0.926 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccsc2C#N)CC1 ZINC000593531729 439396704 /nfs/dbraw/zinc/39/67/04/439396704.db2.gz GULZJHZELBPAQW-UHFFFAOYSA-N 1 1 342.446 0.062 20 30 ECEDMO CC[C@H](C#N)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000593452921 439383258 /nfs/dbraw/zinc/38/32/58/439383258.db2.gz JPLWYENPKCSSQV-OAHLLOKOSA-N 1 1 349.479 0.233 20 30 ECEDMO C#CCN(C)CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000491625041 439415431 /nfs/dbraw/zinc/41/54/31/439415431.db2.gz HOIVTQFTSCSHDQ-OAHLLOKOSA-N 1 1 349.479 0.822 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000491657635 439421039 /nfs/dbraw/zinc/42/10/39/439421039.db2.gz VARDQFVJXKCWER-UHFFFAOYSA-N 1 1 341.364 0.494 20 30 ECEDMO C#CC[NH+](C)CCCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000491661992 439422018 /nfs/dbraw/zinc/42/20/18/439422018.db2.gz GKIRWLKSTJICRQ-IRXDYDNUSA-N 1 1 348.491 0.391 20 30 ECEDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599327421 439434059 /nfs/dbraw/zinc/43/40/59/439434059.db2.gz HFGVCUFGAPVFHN-ZIAGYGMSSA-N 1 1 345.465 0.071 20 30 ECEDMO C#CCN1C(=O)C[C@@H](N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000491739216 439440656 /nfs/dbraw/zinc/44/06/56/439440656.db2.gz JBJMASODFYLPQU-MRXNPFEDSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)/C=C/c2cccnc2)CC1 ZINC000491882644 439468336 /nfs/dbraw/zinc/46/83/36/439468336.db2.gz DLYQNUGNTUXNPO-VOTSOKGWSA-N 1 1 326.400 0.379 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000571224602 439484522 /nfs/dbraw/zinc/48/45/22/439484522.db2.gz DBKYTFGERJFUKG-CQSZACIVSA-N 1 1 330.454 0.263 20 30 ECEDMO N#Cc1ccc(N2CC[C@H](N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2=O)cc1 ZINC000594027807 439509691 /nfs/dbraw/zinc/50/96/91/439509691.db2.gz RIWGRKXYDQDVFZ-BBWFWOEESA-N 1 1 326.400 0.414 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000599693386 439536998 /nfs/dbraw/zinc/53/69/98/439536998.db2.gz OWJYIKCHIMMQFT-ZDUSSCGKSA-N 1 1 330.454 0.010 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000599693386 439537002 /nfs/dbraw/zinc/53/70/02/439537002.db2.gz OWJYIKCHIMMQFT-ZDUSSCGKSA-N 1 1 330.454 0.010 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000599692601 439537151 /nfs/dbraw/zinc/53/71/51/439537151.db2.gz KOOJSVAYHHZSBU-ZIAGYGMSSA-N 1 1 344.481 0.256 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000599692601 439537155 /nfs/dbraw/zinc/53/71/55/439537155.db2.gz KOOJSVAYHHZSBU-ZIAGYGMSSA-N 1 1 344.481 0.256 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000599693955 439537189 /nfs/dbraw/zinc/53/71/89/439537189.db2.gz QEIVZSSNJFBVKR-DOMZBBRYSA-N 1 1 342.465 0.056 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000599693955 439537191 /nfs/dbraw/zinc/53/71/91/439537191.db2.gz QEIVZSSNJFBVKR-DOMZBBRYSA-N 1 1 342.465 0.056 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000540349653 439548222 /nfs/dbraw/zinc/54/82/22/439548222.db2.gz FGYTZOBNBHNIEJ-MSOLQXFVSA-N 1 1 347.507 0.847 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC[N@H+]1C ZINC000542830654 439560931 /nfs/dbraw/zinc/56/09/31/439560931.db2.gz MVZMVWIFDGVOJW-NWDGAFQWSA-N 1 1 333.440 0.920 20 30 ECEDMO N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000594427085 439561095 /nfs/dbraw/zinc/56/10/95/439561095.db2.gz STPCWSCOKJKFCU-GJZGRUSLSA-N 1 1 335.452 0.068 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484557 439569458 /nfs/dbraw/zinc/56/94/58/439569458.db2.gz UZTBTCWBSBGQKI-GJZGRUSLSA-N 1 1 344.481 0.700 20 30 ECEDMO CCC[C@@H](C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000609516933 439573683 /nfs/dbraw/zinc/57/36/83/439573683.db2.gz UCROIDKIRUKEIS-LSDHHAIUSA-N 1 1 336.436 0.508 20 30 ECEDMO COc1cc(NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c(F)cc1C#N ZINC000599977434 439588492 /nfs/dbraw/zinc/58/84/92/439588492.db2.gz CWEPFTCTIXLCEM-IINYFYTJSA-N 1 1 346.362 0.807 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)cc1 ZINC000572842042 439611805 /nfs/dbraw/zinc/61/18/05/439611805.db2.gz OCCJSNUZVAJQEZ-ROUUACIJSA-N 1 1 347.459 0.929 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594799652 439614766 /nfs/dbraw/zinc/61/47/66/439614766.db2.gz OIINCMYXGZPVJP-CYBMUJFWSA-N 1 1 332.470 0.556 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000585683033 439642614 /nfs/dbraw/zinc/64/26/14/439642614.db2.gz FKCSWPGCDKDWAO-AWEZNQCLSA-N 1 1 344.415 0.574 20 30 ECEDMO N#C[C@@H]1N(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CCC[C@]12CCCCO2 ZINC000573416595 439644814 /nfs/dbraw/zinc/64/48/14/439644814.db2.gz LKXJOSVHXIJRJT-SOLBZPMBSA-N 1 1 332.448 0.830 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610906917 439656462 /nfs/dbraw/zinc/65/64/62/439656462.db2.gz JSGRELKAKDOVFU-IUODEOHRSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610906917 439656464 /nfs/dbraw/zinc/65/64/64/439656464.db2.gz JSGRELKAKDOVFU-IUODEOHRSA-N 1 1 330.388 0.641 20 30 ECEDMO N#Cc1ncn(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)n1 ZINC000584846574 439622194 /nfs/dbraw/zinc/62/21/94/439622194.db2.gz STZHJBVISVCFDP-CYBMUJFWSA-N 1 1 330.779 0.976 20 30 ECEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1nn(C)cc1C#N ZINC000610565357 439625791 /nfs/dbraw/zinc/62/57/91/439625791.db2.gz SQGGFBBVBGLCBV-UHFFFAOYSA-N 1 1 333.440 0.781 20 30 ECEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1nn(C)cc1C#N ZINC000610565357 439625794 /nfs/dbraw/zinc/62/57/94/439625794.db2.gz SQGGFBBVBGLCBV-UHFFFAOYSA-N 1 1 333.440 0.781 20 30 ECEDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CCCC1 ZINC000594843795 439627245 /nfs/dbraw/zinc/62/72/45/439627245.db2.gz REPAHSQVASXDPI-UHFFFAOYSA-N 1 1 344.481 0.352 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@H](O)C[C@](C)(O)C3CC3)CC2)c1C#N ZINC000600846122 439709919 /nfs/dbraw/zinc/70/99/19/439709919.db2.gz MEJXERWPKANWOM-QAPCUYQASA-N 1 1 347.463 0.634 20 30 ECEDMO C[C@](O)(C[C@@H](O)C[NH+]1CCN(c2ncccc2C#N)CC1)C1CC1 ZINC000600846073 439710719 /nfs/dbraw/zinc/71/07/19/439710719.db2.gz LORQAWJMRNIXES-AEFFLSMTSA-N 1 1 330.432 0.987 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000611322762 439691649 /nfs/dbraw/zinc/69/16/49/439691649.db2.gz YYETZTKJLGIIMT-LBPRGKRZSA-N 1 1 325.409 0.909 20 30 ECEDMO CC[N@H+]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@@H]1C ZINC000611373165 439694310 /nfs/dbraw/zinc/69/43/10/439694310.db2.gz JRRQOVRGASXVBI-DLBZAZTESA-N 1 1 335.496 0.705 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(CC[N@H+](C[C@H](C)O)C3)C2)nn1 ZINC001041732279 782076916 /nfs/dbraw/zinc/07/69/16/782076916.db2.gz GZQBFURWRAFKBR-YOEHRIQHSA-N 1 1 333.436 0.773 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@](F)(C#N)C2)CC1 ZINC000615539098 439801971 /nfs/dbraw/zinc/80/19/71/439801971.db2.gz FHESCNORASBQLH-HNNXBMFYSA-N 1 1 325.388 0.186 20 30 ECEDMO N#C[C@]1(F)CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000615547118 439802280 /nfs/dbraw/zinc/80/22/80/439802280.db2.gz UZIFFHRFXRMLQZ-GDBMZVCRSA-N 1 1 339.415 0.040 20 30 ECEDMO N#C[C@@]1(F)CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000615547123 439802363 /nfs/dbraw/zinc/80/23/63/439802363.db2.gz UZIFFHRFXRMLQZ-ZBFHGGJFSA-N 1 1 339.415 0.040 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@](F)(C#N)C2)C1 ZINC000615643946 439804093 /nfs/dbraw/zinc/80/40/93/439804093.db2.gz GIUDVEDFDYDXOS-GOEBONIOSA-N 1 1 326.416 0.397 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000658607188 440031447 /nfs/dbraw/zinc/03/14/47/440031447.db2.gz LVMUMLUASKDHMU-UHFFFAOYSA-N 1 1 339.436 0.019 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000658616847 440036865 /nfs/dbraw/zinc/03/68/65/440036865.db2.gz UVBSVGHKUPEGIB-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000618462335 440122152 /nfs/dbraw/zinc/12/21/52/440122152.db2.gz DCZZSUPUQFTGJD-AWEZNQCLSA-N 1 1 337.445 0.975 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000618462335 440122158 /nfs/dbraw/zinc/12/21/58/440122158.db2.gz DCZZSUPUQFTGJD-AWEZNQCLSA-N 1 1 337.445 0.975 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)CC1 ZINC000664019917 440215899 /nfs/dbraw/zinc/21/58/99/440215899.db2.gz OEFOMNWPFIVFSV-GXTWGEPZSA-N 1 1 329.466 0.902 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000649998945 440580269 /nfs/dbraw/zinc/58/02/69/440580269.db2.gz USUYFGSOXPBQFS-MRXNPFEDSA-N 1 1 344.415 0.885 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000649998945 440580274 /nfs/dbraw/zinc/58/02/74/440580274.db2.gz USUYFGSOXPBQFS-MRXNPFEDSA-N 1 1 344.415 0.885 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639702765 440765455 /nfs/dbraw/zinc/76/54/55/440765455.db2.gz NMGHVHNVPBVTED-CQSZACIVSA-N 1 1 332.404 0.587 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639702765 440765459 /nfs/dbraw/zinc/76/54/59/440765459.db2.gz NMGHVHNVPBVTED-CQSZACIVSA-N 1 1 332.404 0.587 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000546709635 322120532 /nfs/dbraw/zinc/12/05/32/322120532.db2.gz VCLKPLRTTWEVHH-GFCCVEGCSA-N 1 1 328.372 0.858 20 30 ECEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@@H](C)C1 ZINC000562337080 322270315 /nfs/dbraw/zinc/27/03/15/322270315.db2.gz KKKQJXUVFVRBHH-IHRRRGAJSA-N 1 1 331.424 0.521 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(C)=O)c2C)C1 ZINC001078004069 782116534 /nfs/dbraw/zinc/11/65/34/782116534.db2.gz HILFWXSGWYSNOI-IAGOWNOFSA-N 1 1 329.400 0.752 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001041755860 782135345 /nfs/dbraw/zinc/13/53/45/782135345.db2.gz VLXSAIKMVKSVRZ-SFHVURJKSA-N 1 1 344.415 0.686 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000164547375 527027857 /nfs/dbraw/zinc/02/78/57/527027857.db2.gz PAOHQZWSROJZAZ-INIZCTEOSA-N 1 1 345.443 0.830 20 30 ECEDMO CC(C)[N@H+]1CCCN(C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000328893878 546008944 /nfs/dbraw/zinc/00/89/44/546008944.db2.gz UPVPCUQKFGOGMG-UHFFFAOYSA-N 1 1 339.484 0.481 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)NC[C@]2(N3CCOCC3)CCSC2)[N@H+](C)C1 ZINC000328979419 546011284 /nfs/dbraw/zinc/01/12/84/546011284.db2.gz XJYJDKSWXINSCN-OFQRWUPVSA-N 1 1 343.493 0.870 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)NC[C@]2(N3CCOCC3)CCSC2)[N@@H+](C)C1 ZINC000328979419 546011287 /nfs/dbraw/zinc/01/12/87/546011287.db2.gz XJYJDKSWXINSCN-OFQRWUPVSA-N 1 1 343.493 0.870 20 30 ECEDMO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000329291621 546018714 /nfs/dbraw/zinc/01/87/14/546018714.db2.gz NNHGWANOKHUOGV-KBPBESRZSA-N 1 1 347.481 0.725 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CSc1nnnn1C1CC1 ZINC000329375610 546022878 /nfs/dbraw/zinc/02/28/78/546022878.db2.gz NXWFHVNIFUNCJL-LLVKDONJSA-N 1 1 325.442 0.302 20 30 ECEDMO C[C@H](NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CCCCO1 ZINC000329417773 546024325 /nfs/dbraw/zinc/02/43/25/546024325.db2.gz DLTOMSIQFHQWMU-LSDHHAIUSA-N 1 1 340.468 0.954 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000619708631 546359027 /nfs/dbraw/zinc/35/90/27/546359027.db2.gz JVKZIVACFPPQRP-HNNXBMFYSA-N 1 1 344.481 0.653 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000619713980 546362393 /nfs/dbraw/zinc/36/23/93/546362393.db2.gz XDFHLUZAEJLBLN-CYBMUJFWSA-N 1 1 332.470 0.101 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000619713980 546362396 /nfs/dbraw/zinc/36/23/96/546362396.db2.gz XDFHLUZAEJLBLN-CYBMUJFWSA-N 1 1 332.470 0.101 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000619721683 546364592 /nfs/dbraw/zinc/36/45/92/546364592.db2.gz QTKSRSQYGBUYKC-SOLBZPMBSA-N 1 1 347.459 0.879 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+](CCO)C1CCOCC1 ZINC000625360505 547077207 /nfs/dbraw/zinc/07/72/07/547077207.db2.gz IXLXGJOBVHTSJA-UHFFFAOYSA-N 1 1 342.395 0.759 20 30 ECEDMO C=CC[C@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000625704068 547204678 /nfs/dbraw/zinc/20/46/78/547204678.db2.gz NIPQKTUVGJQUDV-ZDUSSCGKSA-N 1 1 331.420 0.722 20 30 ECEDMO C=C[C@@H](O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000668451037 547660010 /nfs/dbraw/zinc/66/00/10/547660010.db2.gz LIYWZCCTQGLZJM-JKSUJKDBSA-N 1 1 331.416 0.547 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672305365 548302890 /nfs/dbraw/zinc/30/28/90/548302890.db2.gz MEQXBGIRKZSTIQ-JYJNAYRXSA-N 1 1 335.448 0.684 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC001041772264 782172117 /nfs/dbraw/zinc/17/21/17/782172117.db2.gz JBSOXBPYVQJJKS-SFHVURJKSA-N 1 1 346.431 0.265 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)nc1 ZINC001078030025 782174552 /nfs/dbraw/zinc/17/45/52/782174552.db2.gz DFWKWTJPIJLKLY-IAGOWNOFSA-N 1 1 329.400 0.407 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)nc1 ZINC001078030025 782174554 /nfs/dbraw/zinc/17/45/54/782174554.db2.gz DFWKWTJPIJLKLY-IAGOWNOFSA-N 1 1 329.400 0.407 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2O)cn1 ZINC001078032359 782179796 /nfs/dbraw/zinc/17/97/96/782179796.db2.gz KCOQYYIJHBDOHZ-BRWVUGGUSA-N 1 1 329.400 0.407 20 30 ECEDMO C[NH+]1CCN(CC(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 ZINC000749533945 579339253 /nfs/dbraw/zinc/33/92/53/579339253.db2.gz SICIABRAAYPUHW-UHFFFAOYSA-N 1 1 341.459 0.891 20 30 ECEDMO C[C@H](NC(=S)NN=Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000755766857 579438840 /nfs/dbraw/zinc/43/88/40/579438840.db2.gz GRQDWQNETRZTHP-LBPRGKRZSA-N 1 1 347.492 0.825 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000756551627 579451231 /nfs/dbraw/zinc/45/12/31/579451231.db2.gz OVOQJGOSIGNSQM-KGLIPLIRSA-N 1 1 328.434 0.441 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccnc1N1CCOCC1 ZINC000730096249 578303242 /nfs/dbraw/zinc/30/32/42/578303242.db2.gz GSWBCDURVNHPNG-INIZCTEOSA-N 1 1 328.416 0.632 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccnc1N1CCOCC1 ZINC000730096249 578303243 /nfs/dbraw/zinc/30/32/43/578303243.db2.gz GSWBCDURVNHPNG-INIZCTEOSA-N 1 1 328.416 0.632 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000730279715 578304585 /nfs/dbraw/zinc/30/45/85/578304585.db2.gz RJCUGFYEGFKFHY-HNNXBMFYSA-N 1 1 325.368 0.496 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000730279715 578304586 /nfs/dbraw/zinc/30/45/86/578304586.db2.gz RJCUGFYEGFKFHY-HNNXBMFYSA-N 1 1 325.368 0.496 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCNc1ncccc1C#N ZINC000732454076 578325564 /nfs/dbraw/zinc/32/55/64/578325564.db2.gz SKMVUGRFFWHNGN-OAHLLOKOSA-N 1 1 346.435 0.775 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000799070258 578656802 /nfs/dbraw/zinc/65/68/02/578656802.db2.gz KTBQPUDRULJDLY-JYJNAYRXSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000799284462 578662042 /nfs/dbraw/zinc/66/20/42/578662042.db2.gz GUONJFJRGREJMJ-AWEZNQCLSA-N 1 1 341.371 0.405 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000799285201 578662114 /nfs/dbraw/zinc/66/21/14/578662114.db2.gz ZCWVRNKNXSYQRE-ZDUSSCGKSA-N 1 1 327.344 0.096 20 30 ECEDMO C#CCSCCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000780057491 578685416 /nfs/dbraw/zinc/68/54/16/578685416.db2.gz ZJQYBQHQWSNTPS-UHFFFAOYSA-N 1 1 329.385 0.688 20 30 ECEDMO C#CCNC(=O)Cn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000781609732 578712254 /nfs/dbraw/zinc/71/22/54/578712254.db2.gz LMJONXVVQMJWJP-UHFFFAOYSA-N 1 1 336.395 0.551 20 30 ECEDMO C#CCNC(=O)Cn1cnc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000781609732 578712255 /nfs/dbraw/zinc/71/22/55/578712255.db2.gz LMJONXVVQMJWJP-UHFFFAOYSA-N 1 1 336.395 0.551 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC3(CNC(=O)O3)CC2)cc1 ZINC000781999647 578718443 /nfs/dbraw/zinc/71/84/43/578718443.db2.gz JYPNBHJQNFQJIW-UHFFFAOYSA-N 1 1 328.372 0.749 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000783005171 578737248 /nfs/dbraw/zinc/73/72/48/578737248.db2.gz GLKGKNFYXFYHRQ-CYBMUJFWSA-N 1 1 335.495 0.324 20 30 ECEDMO C#CCC(CC#C)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000788282094 578832074 /nfs/dbraw/zinc/83/20/74/578832074.db2.gz PBJAGDKLKRVMEQ-UHFFFAOYSA-N 1 1 329.444 0.662 20 30 ECEDMO N#CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cn1 ZINC000765929229 579076128 /nfs/dbraw/zinc/07/61/28/579076128.db2.gz BYKPMHJTCUWQNU-CQSZACIVSA-N 1 1 330.392 0.478 20 30 ECEDMO C#C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCCO1 ZINC000773311795 579224610 /nfs/dbraw/zinc/22/46/10/579224610.db2.gz OFNVVOUSWGEQGZ-XIRDDKMYSA-N 1 1 334.464 0.635 20 30 ECEDMO C#C[C@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000773311795 579224611 /nfs/dbraw/zinc/22/46/11/579224611.db2.gz OFNVVOUSWGEQGZ-XIRDDKMYSA-N 1 1 334.464 0.635 20 30 ECEDMO C#C[C@H](NCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000775793656 579271365 /nfs/dbraw/zinc/27/13/65/579271365.db2.gz WPERHFJCZOEDAS-YESZJQIVSA-N 1 1 337.464 0.230 20 30 ECEDMO C#C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCCO1 ZINC000776225234 579277954 /nfs/dbraw/zinc/27/79/54/579277954.db2.gz AKHSDZMIVOXMMZ-BZSNNMDCSA-N 1 1 348.491 0.977 20 30 ECEDMO C#C[C@H](NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000776225234 579277956 /nfs/dbraw/zinc/27/79/56/579277956.db2.gz AKHSDZMIVOXMMZ-BZSNNMDCSA-N 1 1 348.491 0.977 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@@H]3CC4(CC4)C(=O)O3)CC2)c1C#N ZINC000763787243 579565744 /nfs/dbraw/zinc/56/57/44/579565744.db2.gz ALOFAOGPVOLTNC-ZDUSSCGKSA-N 1 1 329.404 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2nc(C)ns2)CC1 ZINC000742849136 579792499 /nfs/dbraw/zinc/79/24/99/579792499.db2.gz IIOLJEDAVOSMNE-AWEZNQCLSA-N 1 1 333.461 0.983 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2nc(C)ns2)CC1 ZINC000742849136 579792501 /nfs/dbraw/zinc/79/25/01/579792501.db2.gz IIOLJEDAVOSMNE-AWEZNQCLSA-N 1 1 333.461 0.983 20 30 ECEDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000867147304 588919802 /nfs/dbraw/zinc/91/98/02/588919802.db2.gz FCFMDGQFSNXZQI-CYBMUJFWSA-N 1 1 327.381 0.696 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000867147304 588919804 /nfs/dbraw/zinc/91/98/04/588919804.db2.gz FCFMDGQFSNXZQI-CYBMUJFWSA-N 1 1 327.381 0.696 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)nc1 ZINC000837569004 588955491 /nfs/dbraw/zinc/95/54/91/588955491.db2.gz XVRUSGXIWSEFTN-OAHLLOKOSA-N 1 1 346.435 0.511 20 30 ECEDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCNc1ccc(C#N)cn1 ZINC000837569558 588955821 /nfs/dbraw/zinc/95/58/21/588955821.db2.gz YTVRMRPIDAPWGD-CYBMUJFWSA-N 1 1 332.408 0.073 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCNc1ccc(C#N)cn1 ZINC000837569558 588955822 /nfs/dbraw/zinc/95/58/22/588955822.db2.gz YTVRMRPIDAPWGD-CYBMUJFWSA-N 1 1 332.408 0.073 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000867278810 589003449 /nfs/dbraw/zinc/00/34/49/589003449.db2.gz HIVQXIGQQLXOPE-UHFFFAOYSA-N 1 1 335.448 0.758 20 30 ECEDMO C#C[C@H](NC(=O)NC1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCCO1 ZINC000841878571 589004145 /nfs/dbraw/zinc/00/41/45/589004145.db2.gz HLRGHJLOQCYYRB-GQGLESIBSA-N 1 1 334.464 0.683 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(Cc2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000842236324 589023947 /nfs/dbraw/zinc/02/39/47/589023947.db2.gz RPXOOTQMELYUJF-INIZCTEOSA-N 1 1 327.384 0.963 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CCO[C@](C)(C#N)C1)N1CC[NH+](C)CC1 ZINC000891752762 586194262 /nfs/dbraw/zinc/19/42/62/586194262.db2.gz OMRQLCZDRGZRNV-NVXWUHKLSA-N 1 1 337.468 0.582 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000895915895 586212797 /nfs/dbraw/zinc/21/27/97/586212797.db2.gz OHEDHSMHCGYEIO-UHFFFAOYSA-N 1 1 337.445 0.594 20 30 ECEDMO C[C@@H](CNC(=O)NCC#C[C@@H]1CCCCO1)CN1CC[NH+](C)CC1 ZINC000893236634 586318166 /nfs/dbraw/zinc/31/81/66/586318166.db2.gz IJUOWYSZOOGQMV-IRXDYDNUSA-N 1 1 336.480 0.742 20 30 ECEDMO C[C@@H](NC(=O)N1CCC2(CC1)CC(=O)C=CO2)[C@@H]1C[N@H+](C)CCO1 ZINC000893764053 586358000 /nfs/dbraw/zinc/35/80/00/586358000.db2.gz HOBKYHLWNURPKW-HIFRSBDPSA-N 1 1 337.420 0.753 20 30 ECEDMO C[C@@H](NC(=O)N1CCC2(CC1)CC(=O)C=CO2)[C@@H]1C[N@@H+](C)CCO1 ZINC000893764053 586358002 /nfs/dbraw/zinc/35/80/02/586358002.db2.gz HOBKYHLWNURPKW-HIFRSBDPSA-N 1 1 337.420 0.753 20 30 ECEDMO C[N@H+]1CCCC[C@H]1CCC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000900715486 586658879 /nfs/dbraw/zinc/65/88/79/586658879.db2.gz BPEZRCUVKXMQMU-YCPHGPKFSA-N 1 1 339.461 0.648 20 30 ECEDMO COC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)cc1OC ZINC000903599820 586794729 /nfs/dbraw/zinc/79/47/29/586794729.db2.gz AVTVZYRYQKBSKP-LBPRGKRZSA-N 1 1 325.390 0.176 20 30 ECEDMO COC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000903602412 586795796 /nfs/dbraw/zinc/79/57/96/586795796.db2.gz SHFGAHWRZRXXDR-NSHDSACASA-N 1 1 329.809 0.821 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)cn1 ZINC000801293482 586989458 /nfs/dbraw/zinc/98/94/58/586989458.db2.gz YKPGYSKPTWZDGJ-UHFFFAOYSA-N 1 1 329.404 0.324 20 30 ECEDMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801948640 587006611 /nfs/dbraw/zinc/00/66/11/587006611.db2.gz CRIKEJLCRBTHMT-ZIAGYGMSSA-N 1 1 333.454 0.287 20 30 ECEDMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCO[C@H](C)C#N)C1 ZINC000801948640 587006614 /nfs/dbraw/zinc/00/66/14/587006614.db2.gz CRIKEJLCRBTHMT-ZIAGYGMSSA-N 1 1 333.454 0.287 20 30 ECEDMO C[N@@H+](CCO)CCNS(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907401661 587040801 /nfs/dbraw/zinc/04/08/01/587040801.db2.gz IDBAMRKGGKRWFA-UHFFFAOYSA-N 1 1 339.442 0.975 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)nc1 ZINC000907428926 587043761 /nfs/dbraw/zinc/04/37/61/587043761.db2.gz ILFHOUYFHIZMAC-CQSZACIVSA-N 1 1 336.417 0.485 20 30 ECEDMO C#CCC(CC#C)C(=O)OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000803698427 587067833 /nfs/dbraw/zinc/06/78/33/587067833.db2.gz QITBAZQKASQJNA-QGZVFWFLSA-N 1 1 348.443 0.665 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 ZINC000806412930 587095443 /nfs/dbraw/zinc/09/54/43/587095443.db2.gz WMSOLDPPYQLAPZ-ZDUSSCGKSA-N 1 1 332.408 0.073 20 30 ECEDMO COC(=O)[C@H]1CC(=O)N(C[N@H+](C)CCOCc2ccc(C#N)cc2)C1 ZINC000808236008 587150987 /nfs/dbraw/zinc/15/09/87/587150987.db2.gz PFILWVXXTSFDBX-INIZCTEOSA-N 1 1 345.399 0.986 20 30 ECEDMO COC(=O)[C@H]1CC(=O)N(C[N@@H+](C)CCOCc2ccc(C#N)cc2)C1 ZINC000808236008 587150988 /nfs/dbraw/zinc/15/09/88/587150988.db2.gz PFILWVXXTSFDBX-INIZCTEOSA-N 1 1 345.399 0.986 20 30 ECEDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)CC(=O)NCCC#N)CC1 ZINC000808776390 587161436 /nfs/dbraw/zinc/16/14/36/587161436.db2.gz UTQYAZXQYBHNCI-ZDUSSCGKSA-N 1 1 344.481 0.398 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)[C@H]1CCCO1 ZINC000809313928 587175085 /nfs/dbraw/zinc/17/50/85/587175085.db2.gz YUZIGYDSHNXXGB-YHUYYLMFSA-N 1 1 335.448 0.520 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000809405053 587177294 /nfs/dbraw/zinc/17/72/94/587177294.db2.gz NGMYZSOPGXFEOA-MEDUHNTESA-N 1 1 344.390 0.912 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NCCC[N@H+](C)CCOC)c1 ZINC000817707041 587382138 /nfs/dbraw/zinc/38/21/38/587382138.db2.gz SJEKOZGQHDSVMP-UHFFFAOYSA-N 1 1 331.416 0.369 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NCC[N@H+](C)CCCOC)c1 ZINC000817829771 587388111 /nfs/dbraw/zinc/38/81/11/587388111.db2.gz KERXBBKAFMPBCS-UHFFFAOYSA-N 1 1 331.416 0.369 20 30 ECEDMO CC(C)S(=O)(=O)CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000819316638 587476656 /nfs/dbraw/zinc/47/66/56/587476656.db2.gz JUBOEHKYCADBII-UHFFFAOYSA-N 1 1 345.446 0.140 20 30 ECEDMO C#C[C@@H](C)NC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000820436716 587533802 /nfs/dbraw/zinc/53/38/02/587533802.db2.gz YVSPSTKNXGTSCR-OAHLLOKOSA-N 1 1 334.464 0.984 20 30 ECEDMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CCCN(O)C1=O ZINC000820476856 587536330 /nfs/dbraw/zinc/53/63/30/587536330.db2.gz QLCFKXWRGZMGCR-HZPDHXFCSA-N 1 1 347.415 0.774 20 30 ECEDMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CCCN(O)C1=O ZINC000820476856 587536332 /nfs/dbraw/zinc/53/63/32/587536332.db2.gz QLCFKXWRGZMGCR-HZPDHXFCSA-N 1 1 347.415 0.774 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CCOCC1 ZINC000823182416 587708068 /nfs/dbraw/zinc/70/80/68/587708068.db2.gz UAEMRARRYASAQD-ROUUACIJSA-N 1 1 348.491 0.836 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCOCC1 ZINC000823191764 587708599 /nfs/dbraw/zinc/70/85/99/587708599.db2.gz RPYNYJLVZJLPON-SJORKVTESA-N 1 1 335.448 0.921 20 30 ECEDMO C#CCOc1cccc(Cl)c1C[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000824608799 587882007 /nfs/dbraw/zinc/88/20/07/587882007.db2.gz QZKKNSWADJVJAX-OAHLLOKOSA-N 1 1 343.832 0.991 20 30 ECEDMO C#C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000825709934 587957088 /nfs/dbraw/zinc/95/70/88/587957088.db2.gz XBGBRNMRNGCGFO-INIZCTEOSA-N 1 1 328.416 0.824 20 30 ECEDMO C#CCN(CC(=O)N1CC[NH+](C[C@@H](C)O)CC1)C(=O)OC(C)(C)C ZINC000826646553 588075169 /nfs/dbraw/zinc/07/51/69/588075169.db2.gz HIGIMMYCIJUSSB-CQSZACIVSA-N 1 1 339.436 0.382 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000827643727 588133597 /nfs/dbraw/zinc/13/35/97/588133597.db2.gz NRXGNFLHKWSMAE-UHFFFAOYSA-N 1 1 341.433 0.523 20 30 ECEDMO C=C[C@@H](O)C(=O)N[C@@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000829953781 588349994 /nfs/dbraw/zinc/34/99/94/588349994.db2.gz HBAWBHOEHOUZKJ-QAPCUYQASA-N 1 1 332.400 0.857 20 30 ECEDMO C#CCN(CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C(=O)OC(C)(C)C ZINC000830627408 588379530 /nfs/dbraw/zinc/37/95/30/588379530.db2.gz HHHIJKKPBPIASY-UONOGXRCSA-N 1 1 339.436 0.692 20 30 ECEDMO C#CCN(CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C(=O)OC(C)(C)C ZINC000830627408 588379532 /nfs/dbraw/zinc/37/95/32/588379532.db2.gz HHHIJKKPBPIASY-UONOGXRCSA-N 1 1 339.436 0.692 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)NCCO)CC2)c([N+](=O)[O-])c1 ZINC000844282452 589106003 /nfs/dbraw/zinc/10/60/03/589106003.db2.gz URKVEZHNGZSTAS-UHFFFAOYSA-N 1 1 332.360 0.787 20 30 ECEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000844372228 589109366 /nfs/dbraw/zinc/10/93/66/589109366.db2.gz XFDNXNVKVDOXCR-GDBMZVCRSA-N 1 1 337.445 0.805 20 30 ECEDMO C#C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000847024673 589233238 /nfs/dbraw/zinc/23/32/38/589233238.db2.gz RLQPLYMWSOFBPO-MRXNPFEDSA-N 1 1 327.432 0.861 20 30 ECEDMO N#CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000847609001 589258712 /nfs/dbraw/zinc/25/87/12/589258712.db2.gz ZMNQXBFTUPHBBY-ZIAGYGMSSA-N 1 1 330.392 0.478 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000850460227 589367300 /nfs/dbraw/zinc/36/73/00/589367300.db2.gz UOTVVEADNFTDEM-UHFFFAOYSA-N 1 1 329.400 0.769 20 30 ECEDMO COC(=O)C1(C#N)CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000852137474 589445808 /nfs/dbraw/zinc/44/58/08/589445808.db2.gz ZFDMESUPEFILAR-KRWDZBQOSA-N 1 1 331.372 0.138 20 30 ECEDMO C#CCC[N@H+](CCOC)C[C@@H](O)Cn1c(-c2ccccc2)noc1=O ZINC000852751725 589510356 /nfs/dbraw/zinc/51/03/56/589510356.db2.gz KQQIPZYSZCETOI-MRXNPFEDSA-N 1 1 345.399 0.836 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000854248262 589576554 /nfs/dbraw/zinc/57/65/54/589576554.db2.gz SHYYVYDMKYZSHA-UONOGXRCSA-N 1 1 341.477 0.691 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000854248262 589576555 /nfs/dbraw/zinc/57/65/55/589576555.db2.gz SHYYVYDMKYZSHA-UONOGXRCSA-N 1 1 341.477 0.691 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000854543546 589591871 /nfs/dbraw/zinc/59/18/71/589591871.db2.gz XVEWBVLICHNSLZ-AWEZNQCLSA-N 1 1 339.436 0.476 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000854664432 589598722 /nfs/dbraw/zinc/59/87/22/589598722.db2.gz UMTJIMYZHGHCDD-INIZCTEOSA-N 1 1 336.457 0.886 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000854664432 589598724 /nfs/dbraw/zinc/59/87/24/589598724.db2.gz UMTJIMYZHGHCDD-INIZCTEOSA-N 1 1 336.457 0.886 20 30 ECEDMO C#C[C@@H](CO)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000854772858 589605202 /nfs/dbraw/zinc/60/52/02/589605202.db2.gz BLPCGTKZOGRAMP-ZDUSSCGKSA-N 1 1 325.409 0.040 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000855166272 589622341 /nfs/dbraw/zinc/62/23/41/589622341.db2.gz HKZDVAWTHAMQDI-VVLLMFOMSA-N 1 1 334.420 0.892 20 30 ECEDMO C#CCOc1ccc([C@@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1 ZINC000858569361 589757716 /nfs/dbraw/zinc/75/77/16/589757716.db2.gz FNBRGUXDLHYTPI-CYBMUJFWSA-N 1 1 337.445 0.840 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000859034516 589794601 /nfs/dbraw/zinc/79/46/01/589794601.db2.gz PILLUEMHPBGVLD-UONOGXRCSA-N 1 1 325.409 0.304 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000859034516 589794604 /nfs/dbraw/zinc/79/46/04/589794604.db2.gz PILLUEMHPBGVLD-UONOGXRCSA-N 1 1 325.409 0.304 20 30 ECEDMO CCC[C@H]1C(=O)NCCN1C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867975606 589866053 /nfs/dbraw/zinc/86/60/53/589866053.db2.gz OAFZQHUIRLDPBM-HOTGVXAUSA-N 1 1 326.400 0.872 20 30 ECEDMO CN(CC(=O)N1CCCC1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867985895 589866876 /nfs/dbraw/zinc/86/68/76/589866876.db2.gz QPUFFUUJDADIBG-KRWDZBQOSA-N 1 1 326.400 0.826 20 30 ECEDMO C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868371365 589897578 /nfs/dbraw/zinc/89/75/78/589897578.db2.gz CFXANRYZPCORPJ-RDTXWAMCSA-N 1 1 341.459 0.961 20 30 ECEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868371365 589897579 /nfs/dbraw/zinc/89/75/79/589897579.db2.gz CFXANRYZPCORPJ-RDTXWAMCSA-N 1 1 341.459 0.961 20 30 ECEDMO Cn1ncc(I)c1C=NN1CC[NH+](C)CC1 ZINC000863065040 589989413 /nfs/dbraw/zinc/98/94/13/589989413.db2.gz VLLURRJMABXVFM-UHFFFAOYSA-N 1 1 333.177 0.606 20 30 ECEDMO CON(C)C(=O)[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000863587222 590025399 /nfs/dbraw/zinc/02/53/99/590025399.db2.gz UDUWUTQCOCLQMA-LLVKDONJSA-N 1 1 325.390 0.330 20 30 ECEDMO C[N@H+]1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CCC1(C)C ZINC000871154643 590052325 /nfs/dbraw/zinc/05/23/25/590052325.db2.gz WLRABRHKDYXCRX-FOCLMDBBSA-N 1 1 334.420 0.846 20 30 ECEDMO COC(=O)CCN(CC#N)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000871342873 590060705 /nfs/dbraw/zinc/06/07/05/590060705.db2.gz VAJBQUXQFUOEKF-OAHLLOKOSA-N 1 1 330.388 0.961 20 30 ECEDMO COC(=O)CCN(CC#N)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000871342873 590060707 /nfs/dbraw/zinc/06/07/07/590060707.db2.gz VAJBQUXQFUOEKF-OAHLLOKOSA-N 1 1 330.388 0.961 20 30 ECEDMO C=CCn1nnn(CN2CC[NH+](CCc3cnccn3)CC2)c1=S ZINC000872700872 590142984 /nfs/dbraw/zinc/14/29/84/590142984.db2.gz WAHCEBJJYFEJHW-UHFFFAOYSA-N 1 1 346.464 0.603 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)nn1CCC#N ZINC000874369779 590236270 /nfs/dbraw/zinc/23/62/70/590236270.db2.gz UXONIAQUEMEWMF-KBPBESRZSA-N 1 1 344.419 0.739 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000875124106 590273329 /nfs/dbraw/zinc/27/33/29/590273329.db2.gz YPKFYCKCDQWKRQ-ARFHVFGLSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000875599914 590313064 /nfs/dbraw/zinc/31/30/64/590313064.db2.gz URIMWTOJASWUKD-HOTGVXAUSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000875604625 590314464 /nfs/dbraw/zinc/31/44/64/590314464.db2.gz QOEBPWFJUHKDEX-XHSDSOJGSA-N 1 1 335.448 0.615 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531326 590318859 /nfs/dbraw/zinc/31/88/59/590318859.db2.gz CUHWAWDFHWUTDX-RTXFEEFZSA-N 1 1 326.356 0.432 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531326 590318861 /nfs/dbraw/zinc/31/88/61/590318861.db2.gz CUHWAWDFHWUTDX-RTXFEEFZSA-N 1 1 326.356 0.432 20 30 ECEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533524 590320176 /nfs/dbraw/zinc/32/01/76/590320176.db2.gz NLKVHXKYCBPJIQ-LEWSCRJBSA-N 1 1 326.356 0.432 20 30 ECEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533524 590320179 /nfs/dbraw/zinc/32/01/79/590320179.db2.gz NLKVHXKYCBPJIQ-LEWSCRJBSA-N 1 1 326.356 0.432 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000879580699 590324996 /nfs/dbraw/zinc/32/49/96/590324996.db2.gz JIIRZWUHEZGNSU-KSZLIROESA-N 1 1 347.507 0.705 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)CC[C@H]21 ZINC000879580082 590325247 /nfs/dbraw/zinc/32/52/47/590325247.db2.gz RDPQWQUQJLDRAC-LSDHHAIUSA-N 1 1 334.445 0.753 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879718236 590337331 /nfs/dbraw/zinc/33/73/31/590337331.db2.gz FANLXNMGSIKOFA-DOTOQJQBSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879718236 590337333 /nfs/dbraw/zinc/33/73/33/590337333.db2.gz FANLXNMGSIKOFA-DOTOQJQBSA-N 1 1 342.399 0.866 20 30 ECEDMO C#CC[C@H](COC)NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000875920635 590346209 /nfs/dbraw/zinc/34/62/09/590346209.db2.gz HZCULTQGUPXJOL-QZTJIDSGSA-N 1 1 345.443 0.743 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880073071 590366003 /nfs/dbraw/zinc/36/60/03/590366003.db2.gz QXPJSAUFRLOGLE-GVDBMIGSSA-N 1 1 331.416 0.439 20 30 ECEDMO COCC[NH+]1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000876284669 590371024 /nfs/dbraw/zinc/37/10/24/590371024.db2.gz VWNSKBUQAUVICD-KRWDZBQOSA-N 1 1 328.416 0.999 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C(C)(C)O)C2)CC1 ZINC000880148582 590372226 /nfs/dbraw/zinc/37/22/26/590372226.db2.gz YNCKANIHFNOKQV-JKSUJKDBSA-N 1 1 336.480 0.772 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880392310 590388368 /nfs/dbraw/zinc/38/83/68/590388368.db2.gz BZVDMKKBCIMDHW-UHFFFAOYSA-N 1 1 333.388 0.912 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC(=O)N1CCCCC1 ZINC000876586583 590389166 /nfs/dbraw/zinc/38/91/66/590389166.db2.gz BKOUYWLMQYQJSJ-QGZVFWFLSA-N 1 1 326.400 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCNC2=O)cc1 ZINC000881840029 590479441 /nfs/dbraw/zinc/47/94/41/590479441.db2.gz QFOAMBGYPUIXIU-INIZCTEOSA-N 1 1 326.400 0.930 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCNC2=O)cc1 ZINC000881840029 590479444 /nfs/dbraw/zinc/47/94/44/590479444.db2.gz QFOAMBGYPUIXIU-INIZCTEOSA-N 1 1 326.400 0.930 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000877892797 590485313 /nfs/dbraw/zinc/48/53/13/590485313.db2.gz FBIINDSPQZGKGJ-ROUUACIJSA-N 1 1 347.459 0.391 20 30 ECEDMO C=CC[C@H](C(=O)OC)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000878246434 590509735 /nfs/dbraw/zinc/50/97/35/590509735.db2.gz PGUNEEZQZIHRBL-MRXNPFEDSA-N 1 1 337.464 0.980 20 30 ECEDMO C#C[C@H](CO)NC(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000878481333 590524312 /nfs/dbraw/zinc/52/43/12/590524312.db2.gz OWHJWRYBAWKUTJ-OAHLLOKOSA-N 1 1 344.415 0.580 20 30 ECEDMO C=C(C)C[C@H](CO)NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000883459699 590619507 /nfs/dbraw/zinc/61/95/07/590619507.db2.gz FXYIGGWSGFGBJK-JKSUJKDBSA-N 1 1 326.485 0.886 20 30 ECEDMO C=C(C)CONC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883763559 590663187 /nfs/dbraw/zinc/66/31/87/590663187.db2.gz BYLKXEKWDDQCAK-OAHLLOKOSA-N 1 1 326.441 0.590 20 30 ECEDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000883897885 590678839 /nfs/dbraw/zinc/67/88/39/590678839.db2.gz PFKCUUWIOHEQBO-AWEZNQCLSA-N 1 1 345.451 0.526 20 30 ECEDMO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN([C@@H]3CCC[C@H]3O)CC1)C2 ZINC000884211513 590776718 /nfs/dbraw/zinc/77/67/18/590776718.db2.gz GSTZPSXEHKAKAM-DSZOFWSKSA-N 1 1 332.448 0.183 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000884277287 590794351 /nfs/dbraw/zinc/79/43/51/590794351.db2.gz LNVFJKDZJIRYGU-GJZGRUSLSA-N 1 1 347.415 0.615 20 30 ECEDMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886201530 590811546 /nfs/dbraw/zinc/81/15/46/590811546.db2.gz IAMKQWYKJIZUNA-KGLIPLIRSA-N 1 1 329.466 0.787 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886203706 590812174 /nfs/dbraw/zinc/81/21/74/590812174.db2.gz CUSXPFYDRZZCSA-UKRRQHHQSA-N 1 1 336.417 0.369 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[N@H+]1C ZINC000886208479 590814265 /nfs/dbraw/zinc/81/42/65/590814265.db2.gz KIZYQZIIYQDWLO-RMRHIDDWSA-N 1 1 325.434 0.113 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[N@H+]1C ZINC000886210498 590815445 /nfs/dbraw/zinc/81/54/45/590815445.db2.gz UMAGMNCKEIKJMX-QVHKTLOISA-N 1 1 325.434 0.113 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450203 590832279 /nfs/dbraw/zinc/83/22/79/590832279.db2.gz AQVMPKAIJSCYMA-WCXIOVBPSA-N 1 1 336.480 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450203 590832284 /nfs/dbraw/zinc/83/22/84/590832284.db2.gz AQVMPKAIJSCYMA-WCXIOVBPSA-N 1 1 336.480 0.881 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000886353112 590834565 /nfs/dbraw/zinc/83/45/65/590834565.db2.gz BUUOESXUKKAHCF-MRXNPFEDSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000886360425 590835576 /nfs/dbraw/zinc/83/55/76/590835576.db2.gz WAVSVBHJCKVVAV-HNNXBMFYSA-N 1 1 343.493 0.508 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000886575096 590860501 /nfs/dbraw/zinc/86/05/01/590860501.db2.gz FOGUFUMVTDKMEZ-HZMVEIRTSA-N 1 1 334.464 0.381 20 30 ECEDMO CNC(=O)C1([NH2+]CC(=O)N(CCC#N)c2ccccc2)CCOCC1 ZINC000887082917 590940252 /nfs/dbraw/zinc/94/02/52/590940252.db2.gz KJONWAZXMXSSPM-UHFFFAOYSA-N 1 1 344.415 0.818 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn(CCC#N)c2C)[C@@H](C)C1 ZINC000889859422 591106736 /nfs/dbraw/zinc/10/67/36/591106736.db2.gz XUEIVWKKVBSIIL-ZDUSSCGKSA-N 1 1 347.419 0.815 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cnn(CCC#N)c2C)[C@@H](C)C1 ZINC000889859422 591106741 /nfs/dbraw/zinc/10/67/41/591106741.db2.gz XUEIVWKKVBSIIL-ZDUSSCGKSA-N 1 1 347.419 0.815 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@@](C)(C(=O)OCC)C2)C1 ZINC000890361745 591150586 /nfs/dbraw/zinc/15/05/86/591150586.db2.gz YXUNCNVMCLYVPK-RHSMWYFYSA-N 1 1 337.420 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@](C)(C(=O)OCC)C2)C1 ZINC000890361745 591150588 /nfs/dbraw/zinc/15/05/88/591150588.db2.gz YXUNCNVMCLYVPK-RHSMWYFYSA-N 1 1 337.420 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[C@@]2(O)CCCOC2)C1 ZINC000890361678 591150597 /nfs/dbraw/zinc/15/05/97/591150597.db2.gz XPUQJQGMUBJEIJ-CRAIPNDOSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[C@@]2(O)CCCOC2)C1 ZINC000890361678 591150600 /nfs/dbraw/zinc/15/06/00/591150600.db2.gz XPUQJQGMUBJEIJ-CRAIPNDOSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)NC)C1 ZINC000890361347 591150999 /nfs/dbraw/zinc/15/09/99/591150999.db2.gz OSJYSWHIZRNXMP-CABCVRRESA-N 1 1 335.452 0.577 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)NC)C1 ZINC000890361347 591151001 /nfs/dbraw/zinc/15/10/01/591151001.db2.gz OSJYSWHIZRNXMP-CABCVRRESA-N 1 1 335.452 0.577 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000890364514 591151547 /nfs/dbraw/zinc/15/15/47/591151547.db2.gz BMAMVJJZNCQTSF-IRXDYDNUSA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000890364514 591151552 /nfs/dbraw/zinc/15/15/52/591151552.db2.gz BMAMVJJZNCQTSF-IRXDYDNUSA-N 1 1 334.464 0.590 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000890367997 591153426 /nfs/dbraw/zinc/15/34/26/591153426.db2.gz ZSZXHCLZIQHWML-HZPDHXFCSA-N 1 1 336.480 0.571 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)CC[C@@H]2C1 ZINC000946580529 611352892 /nfs/dbraw/zinc/35/28/92/611352892.db2.gz BAKLTJPPJYJFEI-GASCZTMLSA-N 1 1 333.436 0.895 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)CC[C@@H]2C1 ZINC000946626158 611371801 /nfs/dbraw/zinc/37/18/01/611371801.db2.gz QXQNWMBWLJYSKX-CALCHBBNSA-N 1 1 349.475 0.982 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC[C@@H]2C1 ZINC000946628034 611374041 /nfs/dbraw/zinc/37/40/41/611374041.db2.gz IAWQCAOAQIXOMV-ZNMIVQPWSA-N 1 1 348.447 0.721 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000930141816 611395197 /nfs/dbraw/zinc/39/51/97/611395197.db2.gz CYKKXTJBINXTQT-AWEZNQCLSA-N 1 1 329.400 0.522 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946668303 611404102 /nfs/dbraw/zinc/40/41/02/611404102.db2.gz UXNVHJBZHGXIFR-GASCZTMLSA-N 1 1 331.416 0.329 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)CC[C@@H]2C1 ZINC000946697864 611421729 /nfs/dbraw/zinc/42/17/29/611421729.db2.gz ZJTNLNQUEUSOPB-XWTMOSNGSA-N 1 1 349.475 0.979 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C(N)=O)CC[C@@H]3C2)cc1 ZINC000946751777 611453151 /nfs/dbraw/zinc/45/31/51/611453151.db2.gz DDOHEBGPKUQQKA-IYBDPMFKSA-N 1 1 326.400 0.714 20 30 ECEDMO Cn1cc(Br)c(=O)c(NC(=O)NCC#CC[NH+](C)C)c1 ZINC000930815593 611467212 /nfs/dbraw/zinc/46/72/12/611467212.db2.gz JGGCUAUNCVHLJF-UHFFFAOYSA-N 1 1 341.209 0.834 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC[C@@H]2C1 ZINC000946782116 611475054 /nfs/dbraw/zinc/47/50/54/611475054.db2.gz RMDRHCQRXSAHGX-OKILXGFUSA-N 1 1 328.416 0.921 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)CC[C@@H]2C1 ZINC000946803412 611491383 /nfs/dbraw/zinc/49/13/83/611491383.db2.gz FVXUZAKQWOQYNI-OKILXGFUSA-N 1 1 346.431 0.054 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](Cn3ccnn3)C2)cc1 ZINC000931057233 611502656 /nfs/dbraw/zinc/50/26/56/611502656.db2.gz CJKAFYIXVBACIE-KRWDZBQOSA-N 1 1 339.399 0.989 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](Cn3ccnn3)C2)cc1 ZINC000931057233 611502659 /nfs/dbraw/zinc/50/26/59/611502659.db2.gz CJKAFYIXVBACIE-KRWDZBQOSA-N 1 1 339.399 0.989 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000931144323 611510994 /nfs/dbraw/zinc/51/09/94/611510994.db2.gz ZAOSJBHQJXIPLQ-UHFFFAOYSA-N 1 1 332.400 0.780 20 30 ECEDMO Cn1[nH]c(=O)c2c1C[N@@H+](C[C@@H](O)COc1ccccc1C#N)CC2 ZINC000931192595 611517503 /nfs/dbraw/zinc/51/75/03/611517503.db2.gz ZNVZGQOODBMTLQ-CYBMUJFWSA-N 1 1 328.372 0.795 20 30 ECEDMO C[C@](C#N)(NC(=O)CN1CCC([N@H+]2CCCOCC2)CC1)C1CC1 ZINC000931292101 611529259 /nfs/dbraw/zinc/52/92/59/611529259.db2.gz HNICNJUDRRHCOJ-GOSISDBHSA-N 1 1 334.464 0.982 20 30 ECEDMO C[N@@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1CO ZINC000931403218 611536388 /nfs/dbraw/zinc/53/63/88/611536388.db2.gz IWVVJJFQQWGFEH-IAGOWNOFSA-N 1 1 328.416 0.662 20 30 ECEDMO C[N@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1CO ZINC000931403218 611536390 /nfs/dbraw/zinc/53/63/90/611536390.db2.gz IWVVJJFQQWGFEH-IAGOWNOFSA-N 1 1 328.416 0.662 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C ZINC000947496655 611566150 /nfs/dbraw/zinc/56/61/50/611566150.db2.gz CSADUBYZZHIPLG-GHMZBOCLSA-N 1 1 327.406 0.696 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C ZINC000947497547 611566983 /nfs/dbraw/zinc/56/69/83/611566983.db2.gz JIWXAVDZNQDBPZ-NEPJUHHUSA-N 1 1 339.417 0.533 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@@H]1C ZINC000947592797 611610745 /nfs/dbraw/zinc/61/07/45/611610745.db2.gz FHVCCGVHVNFAIR-UONOGXRCSA-N 1 1 329.404 0.651 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@H]1C ZINC000947592961 611610881 /nfs/dbraw/zinc/61/08/81/611610881.db2.gz IFYKOGFJEBJFAC-HUUCEWRRSA-N 1 1 341.415 0.488 20 30 ECEDMO C#CCC1(O)CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927630020 611621303 /nfs/dbraw/zinc/62/13/03/611621303.db2.gz LONATPAOAGMJPW-INIZCTEOSA-N 1 1 335.448 0.800 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccccc1C#N ZINC000947627841 611624830 /nfs/dbraw/zinc/62/48/30/611624830.db2.gz AAYLRVJXJRYPIV-IUODEOHRSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccccc1C#N ZINC000947627841 611624833 /nfs/dbraw/zinc/62/48/33/611624833.db2.gz AAYLRVJXJRYPIV-IUODEOHRSA-N 1 1 339.403 0.865 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)C[C@H]1C ZINC000947663724 611641316 /nfs/dbraw/zinc/64/13/16/611641316.db2.gz YKMRIVMAAZGOPY-CHWSQXEVSA-N 1 1 326.404 0.969 20 30 ECEDMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954707984 608610102 /nfs/dbraw/zinc/61/01/02/608610102.db2.gz ARONRVKXEMCOSV-HNNXBMFYSA-N 1 1 329.404 0.653 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 ZINC000949437135 608678232 /nfs/dbraw/zinc/67/82/32/608678232.db2.gz XAMNNNCVGVLCIV-HNNXBMFYSA-N 1 1 333.432 0.324 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 ZINC000949437135 608678235 /nfs/dbraw/zinc/67/82/35/608678235.db2.gz XAMNNNCVGVLCIV-HNNXBMFYSA-N 1 1 333.432 0.324 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H](C)C2)nn1 ZINC000947791631 608739186 /nfs/dbraw/zinc/73/91/86/608739186.db2.gz FMDPWHGWVLQSFQ-UONOGXRCSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C2)nn1 ZINC000947796121 608778188 /nfs/dbraw/zinc/77/81/88/608778188.db2.gz JVWHXJDIELXSJL-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2conc2C)CC1 ZINC000947229397 608791573 /nfs/dbraw/zinc/79/15/73/608791573.db2.gz BIDVXLJHHUUNJW-INIZCTEOSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2conc2C)CC1 ZINC000947229397 608791575 /nfs/dbraw/zinc/79/15/75/608791575.db2.gz BIDVXLJHHUUNJW-INIZCTEOSA-N 1 1 344.415 0.801 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000934252756 608803612 /nfs/dbraw/zinc/80/36/12/608803612.db2.gz PFHYRQMYSDJOLW-QRQLOZEOSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000934252756 608803615 /nfs/dbraw/zinc/80/36/15/608803615.db2.gz PFHYRQMYSDJOLW-QRQLOZEOSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000934252756 608803617 /nfs/dbraw/zinc/80/36/17/608803617.db2.gz PFHYRQMYSDJOLW-QRQLOZEOSA-N 1 1 345.443 0.829 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccns2)CC1 ZINC000947230810 608825137 /nfs/dbraw/zinc/82/51/37/608825137.db2.gz UIEYLYLHGIGKNF-AWEZNQCLSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccns2)CC1 ZINC000947230810 608825140 /nfs/dbraw/zinc/82/51/40/608825140.db2.gz UIEYLYLHGIGKNF-AWEZNQCLSA-N 1 1 346.456 0.962 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000936914535 608914830 /nfs/dbraw/zinc/91/48/30/608914830.db2.gz WMVOIITZRWGHIF-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C[C@H]1C ZINC000947602443 608918967 /nfs/dbraw/zinc/91/89/67/608918967.db2.gz LBAFEIPSLDUKKF-CABCVRRESA-N 1 1 330.436 0.935 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937054052 608936001 /nfs/dbraw/zinc/93/60/01/608936001.db2.gz JNGAQWNOONJZHE-CQSZACIVSA-N 1 1 340.387 0.764 20 30 ECEDMO N#CCCN1CCN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000925169227 608941994 /nfs/dbraw/zinc/94/19/94/608941994.db2.gz KAUGVRLDGAMHLQ-LSDHHAIUSA-N 1 1 337.493 0.807 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccccc1C#N ZINC000947309573 608947402 /nfs/dbraw/zinc/94/74/02/608947402.db2.gz FVKGEDLVFLWAER-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCOC1 ZINC000936692587 608976968 /nfs/dbraw/zinc/97/69/68/608976968.db2.gz KJDUJNCELFJCBT-QAETUUGQSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCOC1 ZINC000936692587 608976970 /nfs/dbraw/zinc/97/69/70/608976970.db2.gz KJDUJNCELFJCBT-QAETUUGQSA-N 1 1 345.443 0.322 20 30 ECEDMO C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC000937137423 608995827 /nfs/dbraw/zinc/99/58/27/608995827.db2.gz WYNCXXXIKWJMJY-XIRDDKMYSA-N 1 1 345.443 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC000937699187 609015998 /nfs/dbraw/zinc/01/59/98/609015998.db2.gz INQJCOMCJCENAV-JYJNAYRXSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC000937699187 609016002 /nfs/dbraw/zinc/01/60/02/609016002.db2.gz INQJCOMCJCENAV-JYJNAYRXSA-N 1 1 343.431 0.259 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937178064 609023749 /nfs/dbraw/zinc/02/37/49/609023749.db2.gz ZVODLCZDUCYAMP-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937197503 609034227 /nfs/dbraw/zinc/03/42/27/609034227.db2.gz IGFNOAQZZGAYOS-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000937756129 609060421 /nfs/dbraw/zinc/06/04/21/609060421.db2.gz LOCNFUCAYFQODT-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000937224711 609062277 /nfs/dbraw/zinc/06/22/77/609062277.db2.gz PXCGXCPDBYJONS-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000937224711 609062279 /nfs/dbraw/zinc/06/22/79/609062279.db2.gz PXCGXCPDBYJONS-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC[N@@H+](C)C1 ZINC000932897421 611683001 /nfs/dbraw/zinc/68/30/01/611683001.db2.gz BYFLNTFOKLEWDO-ZJUUUORDSA-N 1 1 336.314 0.577 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937322931 609131664 /nfs/dbraw/zinc/13/16/64/609131664.db2.gz HWZQCEVDGMABCR-CABCVRRESA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c(C)ccn2C)C1 ZINC000937872327 609356659 /nfs/dbraw/zinc/35/66/59/609356659.db2.gz CCFHFVNFRHHJKF-HOTGVXAUSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c(C)ccn2C)C1 ZINC000937872327 609356661 /nfs/dbraw/zinc/35/66/61/609356661.db2.gz CCFHFVNFRHHJKF-HOTGVXAUSA-N 1 1 342.443 0.762 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000937975898 609445991 /nfs/dbraw/zinc/44/59/91/609445991.db2.gz PKAHPLGMTFYHOC-GJZGRUSLSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@](C)(O)C2CC2)C1 ZINC000938170989 609482502 /nfs/dbraw/zinc/48/25/02/609482502.db2.gz RXIGDKLMMNQRJX-BXWFABGCSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@](C)(O)C2CC2)C1 ZINC000938170989 609482505 /nfs/dbraw/zinc/48/25/05/609482505.db2.gz RXIGDKLMMNQRJX-BXWFABGCSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncc2C)C1 ZINC000938170978 609482866 /nfs/dbraw/zinc/48/28/66/609482866.db2.gz RTSCBNWDIMOSNV-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncc2C)C1 ZINC000938170978 609482868 /nfs/dbraw/zinc/48/28/68/609482868.db2.gz RTSCBNWDIMOSNV-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC[N@H+](C)CC1 ZINC000907785962 609621481 /nfs/dbraw/zinc/62/14/81/609621481.db2.gz JWBSJGSLBIKPCJ-UHFFFAOYSA-N 1 1 336.461 0.567 20 30 ECEDMO CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC[N@@H+](C)CC1 ZINC000907785962 609621482 /nfs/dbraw/zinc/62/14/82/609621482.db2.gz JWBSJGSLBIKPCJ-UHFFFAOYSA-N 1 1 336.461 0.567 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000908011640 609636789 /nfs/dbraw/zinc/63/67/89/609636789.db2.gz KDAXGLQUZXUILU-SJORKVTESA-N 1 1 334.441 0.888 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000908011640 609636791 /nfs/dbraw/zinc/63/67/91/609636791.db2.gz KDAXGLQUZXUILU-SJORKVTESA-N 1 1 334.441 0.888 20 30 ECEDMO C=CCn1c(-c2nnn(C)c2C)nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000908674655 609658096 /nfs/dbraw/zinc/65/80/96/609658096.db2.gz CZKOBQYFRFJQKR-DYVFJYSZSA-N 1 1 342.451 0.956 20 30 ECEDMO C=CCn1c(-c2cnsn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000908713541 609659090 /nfs/dbraw/zinc/65/90/90/609659090.db2.gz YWVCMKNYPRVOQW-NSHDSACASA-N 1 1 333.421 0.503 20 30 ECEDMO C=CCn1c(-c2cnsn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000908713541 609659093 /nfs/dbraw/zinc/65/90/93/609659093.db2.gz YWVCMKNYPRVOQW-NSHDSACASA-N 1 1 333.421 0.503 20 30 ECEDMO Cc1ncc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1C#N ZINC000919981322 609668018 /nfs/dbraw/zinc/66/80/18/609668018.db2.gz KZHFTYCLSFFDJU-WFASDCNBSA-N 1 1 337.449 0.174 20 30 ECEDMO Cc1ncc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1C#N ZINC000919981322 609668020 /nfs/dbraw/zinc/66/80/20/609668020.db2.gz KZHFTYCLSFFDJU-WFASDCNBSA-N 1 1 337.449 0.174 20 30 ECEDMO C#CCCCS(=O)(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000920273301 609677526 /nfs/dbraw/zinc/67/75/26/609677526.db2.gz GHLFUGUOHLRALY-FPCVCCKLSA-N 1 1 328.478 0.799 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[N@H+]1C ZINC000920403879 609680886 /nfs/dbraw/zinc/68/08/86/609680886.db2.gz JMIDKZVTMJIOMG-JLNYLFASSA-N 1 1 340.449 0.049 20 30 ECEDMO C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCC#CC[NH+](C)C ZINC000913518406 609685342 /nfs/dbraw/zinc/68/53/42/609685342.db2.gz NUMLVJIRNBJBHZ-GFCCVEGCSA-N 1 1 327.388 0.362 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000928654712 611707279 /nfs/dbraw/zinc/70/72/79/611707279.db2.gz ANTHTGVSUWUONN-HXUWFJFHSA-N 1 1 341.455 0.837 20 30 ECEDMO C#CCN1CCC(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000928654712 611707282 /nfs/dbraw/zinc/70/72/82/611707282.db2.gz ANTHTGVSUWUONN-HXUWFJFHSA-N 1 1 341.455 0.837 20 30 ECEDMO C#CCN1CCC(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000928654712 611707285 /nfs/dbraw/zinc/70/72/85/611707285.db2.gz ANTHTGVSUWUONN-HXUWFJFHSA-N 1 1 341.455 0.837 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@@H]1C ZINC000947986298 609742820 /nfs/dbraw/zinc/74/28/20/609742820.db2.gz TVEZFOHXRMSQJB-NWDGAFQWSA-N 1 1 325.372 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccnnc2C)C1 ZINC000938348894 609743872 /nfs/dbraw/zinc/74/38/72/609743872.db2.gz KIXFPKOSNPKMIG-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccnnc2C)C1 ZINC000938348894 609743874 /nfs/dbraw/zinc/74/38/74/609743874.db2.gz KIXFPKOSNPKMIG-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC000948012044 609761923 /nfs/dbraw/zinc/76/19/23/609761923.db2.gz MBRPTDHHSKDZKL-GHMZBOCLSA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC000948012044 609761924 /nfs/dbraw/zinc/76/19/24/609761924.db2.gz MBRPTDHHSKDZKL-GHMZBOCLSA-N 1 1 328.800 0.260 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC3(CCCC3)C2)c1=O ZINC000173443755 609780941 /nfs/dbraw/zinc/78/09/41/609780941.db2.gz KKXXVWHEYZUEQJ-UHFFFAOYSA-N 1 1 346.431 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CN3CCOCC3)o2)C1 ZINC000923596449 609803487 /nfs/dbraw/zinc/80/34/87/609803487.db2.gz QSTJLTWUQZYWTK-HNNXBMFYSA-N 1 1 331.416 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CN3CCOCC3)o2)C1 ZINC000923596449 609803490 /nfs/dbraw/zinc/80/34/90/609803490.db2.gz QSTJLTWUQZYWTK-HNNXBMFYSA-N 1 1 331.416 0.939 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938540453 609858770 /nfs/dbraw/zinc/85/87/70/609858770.db2.gz WYKPAWJIKBTYPT-DOMZBBRYSA-N 1 1 329.404 0.511 20 30 ECEDMO CN(C)c1ccc(C=[NH+]NC(=S)NCCN2CCOCC2)cc1 ZINC000915925531 609927368 /nfs/dbraw/zinc/92/73/68/609927368.db2.gz HHGPOYRRGWEMEW-UHFFFAOYSA-N 1 1 335.477 0.883 20 30 ECEDMO O=S1(=O)CC[C@@H](N[NH+]=Cc2ccc(N3CCOCC3)s2)C1 ZINC000916239178 609935257 /nfs/dbraw/zinc/93/52/57/609935257.db2.gz OWANDZHYCLEOFE-LLVKDONJSA-N 1 1 329.447 0.695 20 30 ECEDMO C[N@H+]1CC[C@H]1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000916468528 609940069 /nfs/dbraw/zinc/94/00/69/609940069.db2.gz CBJMJIVYUYKJHR-HNNXBMFYSA-N 1 1 328.420 0.925 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC000938705192 609953438 /nfs/dbraw/zinc/95/34/38/609953438.db2.gz BQKUJAAUSFWPOX-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC000938714834 609955488 /nfs/dbraw/zinc/95/54/88/609955488.db2.gz ZDOJWBPSNWHMOH-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC000938714834 609955490 /nfs/dbraw/zinc/95/54/90/609955490.db2.gz ZDOJWBPSNWHMOH-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cs1 ZINC000917065947 609960341 /nfs/dbraw/zinc/96/03/41/609960341.db2.gz CQEJZEOCJBLHIG-CYBMUJFWSA-N 1 1 340.474 0.429 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cs1 ZINC000917065947 609960343 /nfs/dbraw/zinc/96/03/43/609960343.db2.gz CQEJZEOCJBLHIG-CYBMUJFWSA-N 1 1 340.474 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C2=CCOCC2)C1 ZINC000938756124 609981890 /nfs/dbraw/zinc/98/18/90/609981890.db2.gz IFRAOXDASCGODB-SJORKVTESA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C2=CCOCC2)C1 ZINC000938756124 609981893 /nfs/dbraw/zinc/98/18/93/609981893.db2.gz IFRAOXDASCGODB-SJORKVTESA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2nonc2C)C1 ZINC000938783410 610006104 /nfs/dbraw/zinc/00/61/04/610006104.db2.gz GYVLVGRNERPSDX-KGLIPLIRSA-N 1 1 345.403 0.149 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2nonc2C)C1 ZINC000938783410 610006106 /nfs/dbraw/zinc/00/61/06/610006106.db2.gz GYVLVGRNERPSDX-KGLIPLIRSA-N 1 1 345.403 0.149 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N([C@H]2CCC[N@H+]3CCSC[C@@H]23)C1=O ZINC000929013287 611725136 /nfs/dbraw/zinc/72/51/36/611725136.db2.gz UAGZQYWYYGWOPV-AVGNSLFASA-N 1 1 325.434 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000938940018 610054278 /nfs/dbraw/zinc/05/42/78/610054278.db2.gz PHARXTYGDOSMNV-BIVLZKPYSA-N 1 1 345.443 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000938940018 610054279 /nfs/dbraw/zinc/05/42/79/610054279.db2.gz PHARXTYGDOSMNV-BIVLZKPYSA-N 1 1 345.443 0.369 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000939011923 610068168 /nfs/dbraw/zinc/06/81/68/610068168.db2.gz CZGIHWIXJMCMKJ-ZACQAIPSSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC000939949774 610174886 /nfs/dbraw/zinc/17/48/86/610174886.db2.gz PBZOAYJLFSLYLM-BNOWGMLFSA-N 1 1 347.394 0.223 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC000939949774 610174887 /nfs/dbraw/zinc/17/48/87/610174887.db2.gz PBZOAYJLFSLYLM-BNOWGMLFSA-N 1 1 347.394 0.223 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000940288088 610259984 /nfs/dbraw/zinc/25/99/84/610259984.db2.gz OZBIJHSEUHTNAM-DVOMOZLQSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccn(CC)n2)C1 ZINC000940404186 610279887 /nfs/dbraw/zinc/27/98/87/610279887.db2.gz HUQHPPLAOSXDCC-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccn(CC)n2)C1 ZINC000940404186 610279888 /nfs/dbraw/zinc/27/98/88/610279888.db2.gz HUQHPPLAOSXDCC-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cccn2CC)C1 ZINC000940560800 610298775 /nfs/dbraw/zinc/29/87/75/610298775.db2.gz VNZKTGLSMXERSI-WBVHZDCISA-N 1 1 342.443 0.936 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cccn2CC)C1 ZINC000940560800 610298776 /nfs/dbraw/zinc/29/87/76/610298776.db2.gz VNZKTGLSMXERSI-WBVHZDCISA-N 1 1 342.443 0.936 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3ccn(C)n3)CC2)C1 ZINC000941426678 610301080 /nfs/dbraw/zinc/30/10/80/610301080.db2.gz FCWBFSRTCHFULH-UHFFFAOYSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941433247 610313343 /nfs/dbraw/zinc/31/33/43/610313343.db2.gz SWONTUVMCCLBKX-GOSISDBHSA-N 1 1 346.519 0.816 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCO[C@@H]3C(C)C)CC2)C1 ZINC000941433427 610313535 /nfs/dbraw/zinc/31/35/35/610313535.db2.gz VAWDYNZAZTVYMX-ZWKOTPCHSA-N 1 1 333.476 0.899 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940659347 610326867 /nfs/dbraw/zinc/32/68/67/610326867.db2.gz WWHMKGKELAXHHJ-CQSZACIVSA-N 1 1 331.420 0.805 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)C1 ZINC000941471221 610329924 /nfs/dbraw/zinc/32/99/24/610329924.db2.gz SFPNTRJZSIUTDR-UHFFFAOYSA-N 1 1 341.459 0.613 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940692614 610332489 /nfs/dbraw/zinc/33/24/89/610332489.db2.gz AUIBWWXCPNHBNR-HUUCEWRRSA-N 1 1 343.431 0.995 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940692660 610332776 /nfs/dbraw/zinc/33/27/76/610332776.db2.gz CXIAGNGLZRECDT-KBPBESRZSA-N 1 1 331.420 0.981 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(C(F)F)n(C)n3)CC2)C1 ZINC000941487595 610338744 /nfs/dbraw/zinc/33/87/44/610338744.db2.gz OIPUKMCUIOCTPX-UHFFFAOYSA-N 1 1 339.390 0.986 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccnc4[nH]c(C)nc43)CC2)C1 ZINC000941499514 610344274 /nfs/dbraw/zinc/34/42/74/610344274.db2.gz WSSCTMIYLGMJPL-UHFFFAOYSA-N 1 1 340.431 0.894 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn(C(C)C)cn3)CC2)C1 ZINC000941502053 610345717 /nfs/dbraw/zinc/34/57/17/610345717.db2.gz IPLHQKCJBUULOA-UHFFFAOYSA-N 1 1 329.448 0.929 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000940720395 610345862 /nfs/dbraw/zinc/34/58/62/610345862.db2.gz RJSYKVHOAJGTKP-QXSJWSMHSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C=C2CCC2)[C@H](OC)C1 ZINC000941506828 610348286 /nfs/dbraw/zinc/34/82/86/610348286.db2.gz MSFPKCKGJOAYRR-IXDOHACOSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C=C2CCC2)[C@H](OC)C1 ZINC000941506828 610348287 /nfs/dbraw/zinc/34/82/87/610348287.db2.gz MSFPKCKGJOAYRR-IXDOHACOSA-N 1 1 345.443 0.536 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCc3nc(C)no3)CC2)C1 ZINC000941509461 610349950 /nfs/dbraw/zinc/34/99/50/610349950.db2.gz MBUBWESWSHAGSB-UHFFFAOYSA-N 1 1 333.436 0.715 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CCOC)nn2)C(C)(C)C1 ZINC000940733561 610349982 /nfs/dbraw/zinc/34/99/82/610349982.db2.gz RSGLCBDXDRTTAS-OAHLLOKOSA-N 1 1 333.436 0.778 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C2C[NH+](CCn3cccn3)C2)CC1 ZINC000941512426 610351998 /nfs/dbraw/zinc/35/19/98/610351998.db2.gz HEFPJYGKJMXWLI-UHFFFAOYSA-N 1 1 331.464 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccn(C)c2)CC1 ZINC000940750567 610355919 /nfs/dbraw/zinc/35/59/19/610355919.db2.gz IYYXLXYBJMQBAN-KRWDZBQOSA-N 1 1 342.443 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccn(C)c2)CC1 ZINC000940750567 610355921 /nfs/dbraw/zinc/35/59/21/610355921.db2.gz IYYXLXYBJMQBAN-KRWDZBQOSA-N 1 1 342.443 0.797 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCN(C2C[NH+](CCn3cncn3)C2)CC1 ZINC000941551332 610373673 /nfs/dbraw/zinc/37/36/73/610373673.db2.gz ZPBQWZWCRZKNRX-GOSISDBHSA-N 1 1 346.479 0.709 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC000941568187 610377287 /nfs/dbraw/zinc/37/72/87/610377287.db2.gz BFQDEDAZXYPSNF-UHFFFAOYSA-N 1 1 331.420 0.132 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CCN(C(=O)C#CC3CC3)C1)CC2 ZINC000942292673 610383877 /nfs/dbraw/zinc/38/38/77/610383877.db2.gz SOFZEKICWQRAKE-HZPDHXFCSA-N 1 1 340.427 0.884 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1 ZINC000941580180 610392912 /nfs/dbraw/zinc/39/29/12/610392912.db2.gz UETAHLVDDJPRGB-ZWKOTPCHSA-N 1 1 341.459 0.375 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](C)C1 ZINC000942313403 610392952 /nfs/dbraw/zinc/39/29/52/610392952.db2.gz IWYILFJAZPMJRP-CMPLNLGQSA-N 1 1 340.811 0.528 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](C)C1 ZINC000942313403 610392953 /nfs/dbraw/zinc/39/29/53/610392953.db2.gz IWYILFJAZPMJRP-CMPLNLGQSA-N 1 1 340.811 0.528 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3ccnc3)CC2)C1 ZINC000941587838 610397512 /nfs/dbraw/zinc/39/75/12/610397512.db2.gz WIRMIGQJCYRVLI-MRXNPFEDSA-N 1 1 329.448 0.686 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC000941596424 610413580 /nfs/dbraw/zinc/41/35/80/610413580.db2.gz GDEZRNVSUHDIJH-MRXNPFEDSA-N 1 1 346.475 0.097 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC000942371009 610419500 /nfs/dbraw/zinc/41/95/00/610419500.db2.gz UNBQISIJBNBVOK-MRXNPFEDSA-N 1 1 337.383 0.599 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3c4c(nn3C)CCC4)CC2)C1 ZINC000941636144 610421973 /nfs/dbraw/zinc/42/19/73/610421973.db2.gz CYKVSVBVJOSYJK-UHFFFAOYSA-N 1 1 343.475 0.927 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn(CC4CC4)nn3)CC2)C1 ZINC000941623017 610427146 /nfs/dbraw/zinc/42/71/46/610427146.db2.gz RXDXTFUFQXXYQN-UHFFFAOYSA-N 1 1 342.447 0.153 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC000941660244 610433488 /nfs/dbraw/zinc/43/34/88/610433488.db2.gz HFERQASZTAFAKY-UHFFFAOYSA-N 1 1 334.464 0.403 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c(OC)cc[nH]c3=O)CC2)C1 ZINC000941643276 610436593 /nfs/dbraw/zinc/43/65/93/610436593.db2.gz VENFJZQDVSOZCA-UHFFFAOYSA-N 1 1 332.404 0.424 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000942428747 610445047 /nfs/dbraw/zinc/44/50/47/610445047.db2.gz HQOJHTIFXJDMHE-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](C)N3CCOCC3)CC2)C1 ZINC000941693303 610466780 /nfs/dbraw/zinc/46/67/80/610466780.db2.gz UPPXZUCUNKHKOQ-INIZCTEOSA-N 1 1 336.480 0.112 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](C)C1 ZINC000942543240 610505766 /nfs/dbraw/zinc/50/57/66/610505766.db2.gz RKNLMCNSDGJTBP-GJZGRUSLSA-N 1 1 341.415 0.346 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941792056 610510855 /nfs/dbraw/zinc/51/08/55/610510855.db2.gz XBFDFRWVSDUOHV-CJNGLKHVSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000941091156 610531987 /nfs/dbraw/zinc/53/19/87/610531987.db2.gz NSPQFQKUBZOJKD-CQSZACIVSA-N 1 1 346.435 0.029 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccn(C)n2)CC1 ZINC000941107572 610540085 /nfs/dbraw/zinc/54/00/85/610540085.db2.gz YMCTXZHAJGJKAC-INIZCTEOSA-N 1 1 343.431 0.192 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccn(C)n2)CC1 ZINC000941107572 610540088 /nfs/dbraw/zinc/54/00/88/610540088.db2.gz YMCTXZHAJGJKAC-INIZCTEOSA-N 1 1 343.431 0.192 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941941480 610570892 /nfs/dbraw/zinc/57/08/92/610570892.db2.gz CTMFCHYKLGSLSX-BLLLJJGKSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H]1C[N@@H+](CCN2CCCC2=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941967805 610581552 /nfs/dbraw/zinc/58/15/52/610581552.db2.gz UPTTTYOLVQSJTF-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966373 610588263 /nfs/dbraw/zinc/58/82/63/610588263.db2.gz JJZPVVLFYVCNAV-SMDDNHRTSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966373 610588264 /nfs/dbraw/zinc/58/82/64/610588264.db2.gz JJZPVVLFYVCNAV-SMDDNHRTSA-N 1 1 327.392 0.655 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)C1 ZINC000941207273 610596819 /nfs/dbraw/zinc/59/68/19/610596819.db2.gz PLGIUNYTTVQSQN-LBPRGKRZSA-N 1 1 331.420 0.982 20 30 ECEDMO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000942752711 610599566 /nfs/dbraw/zinc/59/95/66/610599566.db2.gz VITHXJXGBYBKEH-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CC(OC)C2)C1 ZINC000941241425 610614250 /nfs/dbraw/zinc/61/42/50/610614250.db2.gz CYSCWZFLECWIOA-KNIAUWFNSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CC(OC)C2)C1 ZINC000941241425 610614251 /nfs/dbraw/zinc/61/42/51/610614251.db2.gz CYSCWZFLECWIOA-KNIAUWFNSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2onc(C)c2C)C1 ZINC000941241993 610614875 /nfs/dbraw/zinc/61/48/75/610614875.db2.gz QSDYZSPUJYWCTF-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2onc(C)c2C)C1 ZINC000941241993 610614876 /nfs/dbraw/zinc/61/48/76/610614876.db2.gz QSDYZSPUJYWCTF-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2coc(OC)n2)C1 ZINC000941245853 610616481 /nfs/dbraw/zinc/61/64/81/610616481.db2.gz XXMNDWJLXVNVNQ-OCCSQVGLSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2coc(OC)n2)C1 ZINC000941245853 610616482 /nfs/dbraw/zinc/61/64/82/610616482.db2.gz XXMNDWJLXVNVNQ-OCCSQVGLSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC000941237701 610621726 /nfs/dbraw/zinc/62/17/26/610621726.db2.gz GPZHCKJQMDYICH-KGLIPLIRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC000941237701 610621728 /nfs/dbraw/zinc/62/17/28/610621728.db2.gz GPZHCKJQMDYICH-KGLIPLIRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](C)C1 ZINC000942891788 610668689 /nfs/dbraw/zinc/66/86/89/610668689.db2.gz CGRPGMCFNFRROB-ZFWWWQNUSA-N 1 1 328.416 0.952 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2nc(OC)cc(OC)n2)[C@@H](C)C1 ZINC000942184415 610688040 /nfs/dbraw/zinc/68/80/40/610688040.db2.gz SLJZJYFCQXXJPL-QWHCGFSZSA-N 1 1 332.404 0.957 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000942196196 610692185 /nfs/dbraw/zinc/69/21/85/610692185.db2.gz OPQCZTBZXGNBDD-YPMHNXCESA-N 1 1 339.417 0.391 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C ZINC000947900678 610693668 /nfs/dbraw/zinc/69/36/68/610693668.db2.gz URGRFFGNVMBJTN-CABCVRRESA-N 1 1 345.447 0.374 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@@H](C)C1 ZINC000942219775 610700448 /nfs/dbraw/zinc/70/04/48/610700448.db2.gz NQXIFFBGHXUOKV-RDJZCZTQSA-N 1 1 345.443 0.958 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)N3CCCCC3=O)CC2)C1 ZINC000941403784 610720467 /nfs/dbraw/zinc/72/04/67/610720467.db2.gz ICSBWPXWIQARBD-INIZCTEOSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2ccon2)C1 ZINC000943115831 610729404 /nfs/dbraw/zinc/72/94/04/610729404.db2.gz JMWDTQDSFZQZJJ-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2ccon2)C1 ZINC000943115831 610729405 /nfs/dbraw/zinc/72/94/05/610729405.db2.gz JMWDTQDSFZQZJJ-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccnc3nc(C)nn32)[C@H](C)C1 ZINC000944156347 610770774 /nfs/dbraw/zinc/77/07/74/610770774.db2.gz UPIYAOWLKUGVIU-OCCSQVGLSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1csnn1 ZINC000944155874 610770784 /nfs/dbraw/zinc/77/07/84/610770784.db2.gz LQOWYDYCLCPGIB-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1csnn1 ZINC000944155874 610770786 /nfs/dbraw/zinc/77/07/86/610770786.db2.gz LQOWYDYCLCPGIB-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2C)nc1 ZINC000944192969 610776196 /nfs/dbraw/zinc/77/61/96/610776196.db2.gz PJVANSGMKFOHIP-HOCLYGCPSA-N 1 1 338.415 0.795 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC000943301469 610790338 /nfs/dbraw/zinc/79/03/38/610790338.db2.gz VNBVICVUCHLWIX-ZIAGYGMSSA-N 1 1 334.420 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@H]2CCCO2)C1 ZINC000943334562 610806985 /nfs/dbraw/zinc/80/69/85/610806985.db2.gz AWEQFVBOOTZFPD-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@H]2CCCO2)C1 ZINC000943334562 610806988 /nfs/dbraw/zinc/80/69/88/610806988.db2.gz AWEQFVBOOTZFPD-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC000944949523 610853391 /nfs/dbraw/zinc/85/33/91/610853391.db2.gz WNEMZRVZAWUXCV-RRFJBIMHSA-N 1 1 332.448 0.937 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@@H](C)C1 ZINC000943514468 610881189 /nfs/dbraw/zinc/88/11/89/610881189.db2.gz CTXKDDVNWYVKSU-GXTWGEPZSA-N 1 1 327.388 0.898 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2C)nn1 ZINC000943497563 610883955 /nfs/dbraw/zinc/88/39/55/610883955.db2.gz LQSBEDWSTIXJEN-KBPBESRZSA-N 1 1 344.423 0.196 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H](C)C#N)CC3)C1 ZINC000945035660 610890222 /nfs/dbraw/zinc/89/02/22/610890222.db2.gz QVWGWGAMQNGXEN-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H](C)C#N)CC3)C1 ZINC000945035660 610890224 /nfs/dbraw/zinc/89/02/24/610890224.db2.gz QVWGWGAMQNGXEN-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H](C)C1 ZINC000944621456 611018448 /nfs/dbraw/zinc/01/84/48/611018448.db2.gz WZXNCLIVJXHDMF-GXTWGEPZSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cnc(C)[nH]1 ZINC000943911301 611035468 /nfs/dbraw/zinc/03/54/68/611035468.db2.gz UHGHTNKGOGXFDT-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(C)n1 ZINC000943911301 611035469 /nfs/dbraw/zinc/03/54/69/611035469.db2.gz UHGHTNKGOGXFDT-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(C)n1 ZINC000943911301 611035473 /nfs/dbraw/zinc/03/54/73/611035473.db2.gz UHGHTNKGOGXFDT-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944659820 611075947 /nfs/dbraw/zinc/07/59/47/611075947.db2.gz VIRGMIREBKWSCG-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)nc1 ZINC000944029568 611090596 /nfs/dbraw/zinc/09/05/96/611090596.db2.gz XEBHJTHXCCDHDG-HZPDHXFCSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C ZINC000947116157 611765792 /nfs/dbraw/zinc/76/57/92/611765792.db2.gz NWIKQYVBRZBMMV-UPJWGTAASA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C ZINC000947116157 611765793 /nfs/dbraw/zinc/76/57/93/611765793.db2.gz NWIKQYVBRZBMMV-UPJWGTAASA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC000944705306 611105508 /nfs/dbraw/zinc/10/55/08/611105508.db2.gz JYPMGWFSIFWLOK-FPCVCCKLSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC000944705306 611105511 /nfs/dbraw/zinc/10/55/11/611105511.db2.gz JYPMGWFSIFWLOK-FPCVCCKLSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC000944097620 611130623 /nfs/dbraw/zinc/13/06/23/611130623.db2.gz HEAMADDOBSAMQX-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC000944097620 611130624 /nfs/dbraw/zinc/13/06/24/611130624.db2.gz HEAMADDOBSAMQX-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]3CC2)nn1 ZINC000946810506 611169744 /nfs/dbraw/zinc/16/97/44/611169744.db2.gz HVSDPKOGARXBBB-MELADBBJSA-N 1 1 346.435 0.122 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3C(C)=O)CC[C@@H]2C1 ZINC000946895925 611238381 /nfs/dbraw/zinc/23/83/81/611238381.db2.gz DEFREMUXYAAFKN-FGTMMUONSA-N 1 1 349.475 0.980 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC[N@H+]1C ZINC000946911827 611254360 /nfs/dbraw/zinc/25/43/60/611254360.db2.gz MYHRPSZTGVCLQP-IUODEOHRSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CNS(C)(=O)=O)o2)C1 ZINC000923569875 611264541 /nfs/dbraw/zinc/26/45/41/611264541.db2.gz QXOATZNCUSXZEL-LBPRGKRZSA-N 1 1 339.417 0.156 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CNS(C)(=O)=O)o2)C1 ZINC000923569875 611264542 /nfs/dbraw/zinc/26/45/42/611264542.db2.gz QXOATZNCUSXZEL-LBPRGKRZSA-N 1 1 339.417 0.156 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cn2cnc3c(C)cccc3c2=O)C1 ZINC000923589430 611270572 /nfs/dbraw/zinc/27/05/72/611270572.db2.gz RCCSXSSGDZYEIV-HNNXBMFYSA-N 1 1 338.411 0.919 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cnc3c(C)cccc3c2=O)C1 ZINC000923589430 611270573 /nfs/dbraw/zinc/27/05/73/611270573.db2.gz RCCSXSSGDZYEIV-HNNXBMFYSA-N 1 1 338.411 0.919 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CS(N)(=O)=O)c2)C1 ZINC000923584714 611271678 /nfs/dbraw/zinc/27/16/78/611271678.db2.gz REQTZOQGSZKYNV-OAHLLOKOSA-N 1 1 335.429 0.303 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CS(N)(=O)=O)c2)C1 ZINC000923584714 611271679 /nfs/dbraw/zinc/27/16/79/611271679.db2.gz REQTZOQGSZKYNV-OAHLLOKOSA-N 1 1 335.429 0.303 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(CCCN2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000842240366 611312936 /nfs/dbraw/zinc/31/29/36/611312936.db2.gz PNZVUMOXZMNVCH-INIZCTEOSA-N 1 1 341.415 0.537 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921912238 611326102 /nfs/dbraw/zinc/32/61/02/611326102.db2.gz WPKWLSPEIFYYDT-CYBMUJFWSA-N 1 1 336.417 0.485 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921912238 611326103 /nfs/dbraw/zinc/32/61/03/611326103.db2.gz WPKWLSPEIFYYDT-CYBMUJFWSA-N 1 1 336.417 0.485 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933652830 611739019 /nfs/dbraw/zinc/73/90/19/611739019.db2.gz SFWPNMJQLYQNOP-KGLIPLIRSA-N 1 1 349.431 0.437 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H](C)C2)cn1 ZINC000947947910 611752345 /nfs/dbraw/zinc/75/23/45/611752345.db2.gz KLGXBARYXVOTDD-DYVFJYSZSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H](C)C2)cn1 ZINC000947947910 611752346 /nfs/dbraw/zinc/75/23/46/611752346.db2.gz KLGXBARYXVOTDD-DYVFJYSZSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)[C@@H](C)C2)cn1 ZINC000947948509 611752627 /nfs/dbraw/zinc/75/26/27/611752627.db2.gz OGTKSUVXWXPGEG-XJKSGUPXSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)[C@@H](C)C2)cn1 ZINC000947948509 611752629 /nfs/dbraw/zinc/75/26/29/611752629.db2.gz OGTKSUVXWXPGEG-XJKSGUPXSA-N 1 1 338.415 0.974 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000947964158 611757103 /nfs/dbraw/zinc/75/71/03/611757103.db2.gz BKXWEWPHZZDVFV-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ncoc1C ZINC000949018294 611809862 /nfs/dbraw/zinc/80/98/62/611809862.db2.gz BNYOIRYZYOMVHD-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ncoc1C ZINC000949018294 611809864 /nfs/dbraw/zinc/80/98/64/611809864.db2.gz BNYOIRYZYOMVHD-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cncnc2)C1 ZINC000950648586 611816548 /nfs/dbraw/zinc/81/65/48/611816548.db2.gz SFHCYFGJJSPVPG-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cncnc2)C1 ZINC000950648586 611816551 /nfs/dbraw/zinc/81/65/51/611816551.db2.gz SFHCYFGJJSPVPG-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000950648151 611816865 /nfs/dbraw/zinc/81/68/65/611816865.db2.gz COQSXRGKYUXJNE-MCIONIFRSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000950648151 611816867 /nfs/dbraw/zinc/81/68/67/611816867.db2.gz COQSXRGKYUXJNE-MCIONIFRSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccccn1 ZINC000950754351 611889805 /nfs/dbraw/zinc/88/98/05/611889805.db2.gz UCEJOAVELCEBSX-HOCLYGCPSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccccn1 ZINC000950754351 611889807 /nfs/dbraw/zinc/88/98/07/611889807.db2.gz UCEJOAVELCEBSX-HOCLYGCPSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccns1 ZINC000950755011 611890884 /nfs/dbraw/zinc/89/08/84/611890884.db2.gz BKESPYXDSQACGG-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccns1 ZINC000950755011 611890885 /nfs/dbraw/zinc/89/08/85/611890885.db2.gz BKESPYXDSQACGG-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc[nH]c1C ZINC000950755790 611891278 /nfs/dbraw/zinc/89/12/78/611891278.db2.gz UMWRBKQHAOMWBT-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc[nH]c1C ZINC000950755790 611891280 /nfs/dbraw/zinc/89/12/80/611891280.db2.gz UMWRBKQHAOMWBT-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1ccoc1 ZINC000950755638 611891378 /nfs/dbraw/zinc/89/13/78/611891378.db2.gz QKTQIAQNFUHCRI-HOTGVXAUSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1ccoc1 ZINC000950755638 611891379 /nfs/dbraw/zinc/89/13/79/611891379.db2.gz QKTQIAQNFUHCRI-HOTGVXAUSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC(C)(F)F ZINC000950755743 611891406 /nfs/dbraw/zinc/89/14/06/611891406.db2.gz SWKCRFMDQACUAG-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC(C)(F)F ZINC000950755743 611891407 /nfs/dbraw/zinc/89/14/07/611891407.db2.gz SWKCRFMDQACUAG-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nc1 ZINC000950241978 611924476 /nfs/dbraw/zinc/92/44/76/611924476.db2.gz UZEQSQLSSSSMLB-FVQBIDKESA-N 1 1 340.427 0.734 20 30 ECEDMO C[C@H](O)C[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000949343685 611945838 /nfs/dbraw/zinc/94/58/38/611945838.db2.gz NFCJXCCUXGURRT-ZDUSSCGKSA-N 1 1 332.404 0.574 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC000950870698 611958774 /nfs/dbraw/zinc/95/87/74/611958774.db2.gz YLZNOOXWDJUCIX-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC000950870698 611958776 /nfs/dbraw/zinc/95/87/76/611958776.db2.gz YLZNOOXWDJUCIX-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 ZINC000949391754 611962368 /nfs/dbraw/zinc/96/23/68/611962368.db2.gz VOLPUNAVOZZQPN-OAHLLOKOSA-N 1 1 335.448 0.925 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC000949423701 611973620 /nfs/dbraw/zinc/97/36/20/611973620.db2.gz LNEAGPHWAMVDSJ-UHFFFAOYSA-N 1 1 333.388 0.872 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC000949423701 611973621 /nfs/dbraw/zinc/97/36/21/611973621.db2.gz LNEAGPHWAMVDSJ-UHFFFAOYSA-N 1 1 333.388 0.872 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949448367 611984139 /nfs/dbraw/zinc/98/41/39/611984139.db2.gz BNUANMOXSKFRFU-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000949451075 611985820 /nfs/dbraw/zinc/98/58/20/611985820.db2.gz RZOYBHPRXKFZSJ-QGZVFWFLSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000949451075 611985822 /nfs/dbraw/zinc/98/58/22/611985822.db2.gz RZOYBHPRXKFZSJ-QGZVFWFLSA-N 1 1 349.475 0.422 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949479632 611995123 /nfs/dbraw/zinc/99/51/23/611995123.db2.gz BVBLQJHDJYNSJW-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949479632 611995125 /nfs/dbraw/zinc/99/51/25/611995125.db2.gz BVBLQJHDJYNSJW-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000949490419 612003347 /nfs/dbraw/zinc/00/33/47/612003347.db2.gz AFFWKCPQHNAHFL-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC000949506464 612013440 /nfs/dbraw/zinc/01/34/40/612013440.db2.gz IKOLENSJJFCIHO-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC000949506464 612013442 /nfs/dbraw/zinc/01/34/42/612013442.db2.gz IKOLENSJJFCIHO-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC000949509088 612014486 /nfs/dbraw/zinc/01/44/86/612014486.db2.gz LCWFINNQVAOBRU-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC000949509088 612014487 /nfs/dbraw/zinc/01/44/87/612014487.db2.gz LCWFINNQVAOBRU-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC000949515274 612017447 /nfs/dbraw/zinc/01/74/47/612017447.db2.gz JDSXDBARZOOHMH-UHFFFAOYSA-N 1 1 343.427 0.716 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CN(CC)CCO3)CC2)C1 ZINC000949529467 612022430 /nfs/dbraw/zinc/02/24/30/612022430.db2.gz VKFWMXBMYVGOJC-KRWDZBQOSA-N 1 1 349.475 0.424 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000950465408 612030777 /nfs/dbraw/zinc/03/07/77/612030777.db2.gz IXXNANSKZUUVOG-LSDHHAIUSA-N 1 1 326.400 0.891 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000950507681 612045151 /nfs/dbraw/zinc/04/51/51/612045151.db2.gz BINCRUQVFBBIEU-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2coc(C)n2)C1 ZINC000950554242 612066854 /nfs/dbraw/zinc/06/68/54/612066854.db2.gz IFGANTBXVXJLDV-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2coc(C)n2)C1 ZINC000950554242 612066855 /nfs/dbraw/zinc/06/68/55/612066855.db2.gz IFGANTBXVXJLDV-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000949739031 612071188 /nfs/dbraw/zinc/07/11/88/612071188.db2.gz QFCIRDYEFUJBKU-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000949739031 612071189 /nfs/dbraw/zinc/07/11/89/612071189.db2.gz QFCIRDYEFUJBKU-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000951837798 612087440 /nfs/dbraw/zinc/08/74/40/612087440.db2.gz NHFWGSABDIRBCD-SWLSCSKDSA-N 1 1 338.371 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000951223594 612088303 /nfs/dbraw/zinc/08/83/03/612088303.db2.gz LKCKZSHGSNDKOI-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000951223594 612088304 /nfs/dbraw/zinc/08/83/04/612088304.db2.gz LKCKZSHGSNDKOI-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccns2)C1 ZINC000951223724 612088660 /nfs/dbraw/zinc/08/86/60/612088660.db2.gz OIJPXRBNFNQTJG-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccns2)C1 ZINC000951223724 612088664 /nfs/dbraw/zinc/08/86/64/612088664.db2.gz OIJPXRBNFNQTJG-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2csnn2)C1 ZINC000951224121 612089400 /nfs/dbraw/zinc/08/94/00/612089400.db2.gz YCFLEBNEMTVEAK-JSGCOSHPSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2csnn2)C1 ZINC000951224121 612089401 /nfs/dbraw/zinc/08/94/01/612089401.db2.gz YCFLEBNEMTVEAK-JSGCOSHPSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC000951913654 612133175 /nfs/dbraw/zinc/13/31/75/612133175.db2.gz FCGSOXQYMNKZLV-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC000951913654 612133176 /nfs/dbraw/zinc/13/31/76/612133176.db2.gz FCGSOXQYMNKZLV-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC000953137781 612178089 /nfs/dbraw/zinc/17/80/89/612178089.db2.gz KVRDHBFDBVAXJN-QFBILLFUSA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC000953137781 612178091 /nfs/dbraw/zinc/17/80/91/612178091.db2.gz KVRDHBFDBVAXJN-QFBILLFUSA-N 1 1 345.443 0.181 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCCC[N@@H+]2C)nc1 ZINC000951377011 612193336 /nfs/dbraw/zinc/19/33/36/612193336.db2.gz NQDIPLPARQKOPY-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cn2cc[nH+]c2C)cn1 ZINC000951386147 612199220 /nfs/dbraw/zinc/19/92/20/612199220.db2.gz VTXYLQKLIPBDQX-INIZCTEOSA-N 1 1 337.383 0.599 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c(C)n[nH]c1C ZINC000951548630 612335207 /nfs/dbraw/zinc/33/52/07/612335207.db2.gz RQAZGQNNHCRYKF-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c(C)n[nH]c1C ZINC000951548630 612335209 /nfs/dbraw/zinc/33/52/09/612335209.db2.gz RQAZGQNNHCRYKF-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000951549412 612335979 /nfs/dbraw/zinc/33/59/79/612335979.db2.gz QXRGMDFWBNXUOD-IXDOHACOSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c(C)ncn2C)C1 ZINC000954519841 612357172 /nfs/dbraw/zinc/35/71/72/612357172.db2.gz RIDMJNRCFIXAQA-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c(C)ncn2C)C1 ZINC000954519841 612357176 /nfs/dbraw/zinc/35/71/76/612357176.db2.gz RIDMJNRCFIXAQA-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000955262625 612392005 /nfs/dbraw/zinc/39/20/05/612392005.db2.gz DFFAXPOJEWCVOX-GUYCJALGSA-N 1 1 340.427 0.543 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cncnc2C)C1 ZINC000954630771 612467875 /nfs/dbraw/zinc/46/78/75/612467875.db2.gz JFOCTTPBMBQWHF-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cncnc2C)C1 ZINC000954630771 612467878 /nfs/dbraw/zinc/46/78/78/612467878.db2.gz JFOCTTPBMBQWHF-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncoc2CC)C1 ZINC000954630746 612468480 /nfs/dbraw/zinc/46/84/80/612468480.db2.gz IGDVUASOQKRCGT-AWEZNQCLSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncoc2CC)C1 ZINC000954630746 612468482 /nfs/dbraw/zinc/46/84/82/612468482.db2.gz IGDVUASOQKRCGT-AWEZNQCLSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)n(C)n2)C1 ZINC000954631094 612469302 /nfs/dbraw/zinc/46/93/02/612469302.db2.gz OVEQQBZEWWOTFP-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)n(C)n2)C1 ZINC000954631094 612469307 /nfs/dbraw/zinc/46/93/07/612469307.db2.gz OVEQQBZEWWOTFP-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cn(CC)cn2)C1 ZINC000954631190 612469539 /nfs/dbraw/zinc/46/95/39/612469539.db2.gz RVEWBUDFEBSACG-INIZCTEOSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cn(CC)cn2)C1 ZINC000954631190 612469542 /nfs/dbraw/zinc/46/95/42/612469542.db2.gz RVEWBUDFEBSACG-INIZCTEOSA-N 1 1 343.431 0.283 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000955345119 612473394 /nfs/dbraw/zinc/47/33/94/612473394.db2.gz RRNUGQHIWMCGCT-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000955346762 612475662 /nfs/dbraw/zinc/47/56/62/612475662.db2.gz LBNAOTPOVAWTTK-RISCZKNCSA-N 1 1 329.404 0.367 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000955926349 612490704 /nfs/dbraw/zinc/49/07/04/612490704.db2.gz ACMJQRUYGXEBQG-GJZGRUSLSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C1CCC(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000953958003 612492871 /nfs/dbraw/zinc/49/28/71/612492871.db2.gz OXMMADPIUMONED-MRXNPFEDSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CCC(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000953958003 612492873 /nfs/dbraw/zinc/49/28/73/612492873.db2.gz OXMMADPIUMONED-MRXNPFEDSA-N 1 1 335.448 0.733 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000951716606 612497678 /nfs/dbraw/zinc/49/76/78/612497678.db2.gz FCNPLOWNWYLOKF-JKSUJKDBSA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953998412 612536348 /nfs/dbraw/zinc/53/63/48/612536348.db2.gz ZITOLGXHYNKLAD-RISCZKNCSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000954047733 612587845 /nfs/dbraw/zinc/58/78/45/612587845.db2.gz OLQSQDDUGXFLFJ-UMVBOHGHSA-N 1 1 336.436 0.315 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000954047733 612587849 /nfs/dbraw/zinc/58/78/49/612587849.db2.gz OLQSQDDUGXFLFJ-UMVBOHGHSA-N 1 1 336.436 0.315 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000954110198 612673990 /nfs/dbraw/zinc/67/39/90/612673990.db2.gz VCPKTIWYFRERFF-JKSUJKDBSA-N 1 1 343.431 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccsn1 ZINC000956073111 612677196 /nfs/dbraw/zinc/67/71/96/612677196.db2.gz NQPFUIACPBNCMG-ZFWWWQNUSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccsn1 ZINC000956073111 612677198 /nfs/dbraw/zinc/67/71/98/612677198.db2.gz NQPFUIACPBNCMG-ZFWWWQNUSA-N 1 1 346.456 0.962 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000956101561 612707847 /nfs/dbraw/zinc/70/78/47/612707847.db2.gz AZLKFWHICKQVMI-AWEZNQCLSA-N 1 1 340.387 0.812 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC000956103319 612709776 /nfs/dbraw/zinc/70/97/76/612709776.db2.gz HMUBRKVHKDPRIS-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cccnn1 ZINC000956174130 612757787 /nfs/dbraw/zinc/75/77/87/612757787.db2.gz BNCHYNGSMACJRW-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cccnn1 ZINC000956174130 612757789 /nfs/dbraw/zinc/75/77/89/612757789.db2.gz BNCHYNGSMACJRW-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000956208712 612778997 /nfs/dbraw/zinc/77/89/97/612778997.db2.gz NXUFVWQTMGFBCU-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC000954308447 612840899 /nfs/dbraw/zinc/84/08/99/612840899.db2.gz QXSFGLBEVPMFJO-UHFFFAOYSA-N 1 1 346.435 0.231 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000954324983 612856160 /nfs/dbraw/zinc/85/61/60/612856160.db2.gz ZYQNLNPZBVIXDW-INIZCTEOSA-N 1 1 325.412 0.902 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cncs2)C1 ZINC000956746471 612942467 /nfs/dbraw/zinc/94/24/67/612942467.db2.gz WHJKFKMOYHPWAD-SUMWQHHRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cncs2)C1 ZINC000956746471 612942468 /nfs/dbraw/zinc/94/24/68/612942468.db2.gz WHJKFKMOYHPWAD-SUMWQHHRSA-N 1 1 346.456 0.962 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc(C#N)c(C#N)n4)C[C@@H]3C2)cn1 ZINC001164761983 721212639 /nfs/dbraw/zinc/21/26/39/721212639.db2.gz BHWFMVXZNWXDRJ-GJZGRUSLSA-N 1 1 348.414 0.912 20 30 ECEDMO C#CCCN1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235142 735470783 /nfs/dbraw/zinc/47/07/83/735470783.db2.gz PBGPCQAYKKXFGG-DLBZAZTESA-N 1 1 335.448 0.032 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001024982802 738459302 /nfs/dbraw/zinc/45/93/02/738459302.db2.gz DEZJFKLNQWPPSQ-CQSZACIVSA-N 1 1 343.435 0.982 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCO[C@@H](CNc2ccc(C#N)nn2)C1 ZINC001111956411 738523332 /nfs/dbraw/zinc/52/33/32/738523332.db2.gz BLQAVQCUUSOYOY-AWEZNQCLSA-N 1 1 346.435 0.718 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001078054920 782218729 /nfs/dbraw/zinc/21/87/29/782218729.db2.gz VRFXABQIYDOMSW-ZIAGYGMSSA-N 1 1 328.372 0.686 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCO[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001111957080 738526774 /nfs/dbraw/zinc/52/67/74/738526774.db2.gz LNHBBJYFRKIYPG-ZDUSSCGKSA-N 1 1 346.435 0.140 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+](C)C)on1 ZINC000969329145 731727772 /nfs/dbraw/zinc/72/77/72/731727772.db2.gz TZVMLQVVUBPVOU-UPJWGTAASA-N 1 1 345.403 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cccc(C)n2)C1 ZINC000973013559 738545211 /nfs/dbraw/zinc/54/52/11/738545211.db2.gz FIUXRPLFFGPFCT-ZOBUZTSGSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cccc(C)n2)C1 ZINC000973013559 738545216 /nfs/dbraw/zinc/54/52/16/738545216.db2.gz FIUXRPLFFGPFCT-ZOBUZTSGSA-N 1 1 340.427 0.865 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000969463039 731910423 /nfs/dbraw/zinc/91/04/23/731910423.db2.gz JBNWDHZGOIDPKM-NSHDSACASA-N 1 1 329.404 0.557 20 30 ECEDMO CC(C)N1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000969467729 731917457 /nfs/dbraw/zinc/91/74/57/731917457.db2.gz XPIXLEIMVZWETN-WBMJQRKESA-N 1 1 343.431 0.946 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000969513768 731940581 /nfs/dbraw/zinc/94/05/81/731940581.db2.gz HGNUSMIUDYWTBB-WBMJQRKESA-N 1 1 341.415 0.723 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccnn3CC)C2)C1=O ZINC000969553019 731969375 /nfs/dbraw/zinc/96/93/75/731969375.db2.gz YTMHMDQTKJJAFC-CJNGLKHVSA-N 1 1 345.447 0.740 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969592743 731991271 /nfs/dbraw/zinc/99/12/71/731991271.db2.gz AHXPFLLYRVUKNP-ABAIWWIYSA-N 1 1 328.372 0.603 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CN(C)c2ccc(C#N)nc2)CC[N@H+]1C ZINC001125304853 732325946 /nfs/dbraw/zinc/32/59/46/732325946.db2.gz DPXBFUYEZZYLHP-XOKHGSTOSA-N 1 1 345.447 0.549 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 ZINC001041811860 782252858 /nfs/dbraw/zinc/25/28/58/782252858.db2.gz SWGPGGGVJZAMNG-SFHVURJKSA-N 1 1 347.463 0.781 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@]2(C)CCN(C(C)=O)C2)CC1 ZINC001098525894 732439074 /nfs/dbraw/zinc/43/90/74/732439074.db2.gz ACVMWKCCGXMEMX-LJQANCHMSA-N 1 1 349.475 0.554 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nnc(CC)o2)C1 ZINC000969865476 732461638 /nfs/dbraw/zinc/46/16/38/732461638.db2.gz OZEVMMRAQOLEDZ-HIFRSBDPSA-N 1 1 345.447 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nnc(CC)o2)C1 ZINC000969865476 732461640 /nfs/dbraw/zinc/46/16/40/732461640.db2.gz OZEVMMRAQOLEDZ-HIFRSBDPSA-N 1 1 345.447 0.666 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)CCCn2cncn2)CC1 ZINC001098526610 732545056 /nfs/dbraw/zinc/54/50/56/732545056.db2.gz MFHXDVROLJTTAP-UHFFFAOYSA-N 1 1 335.452 0.920 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001041821023 782271797 /nfs/dbraw/zinc/27/17/97/782271797.db2.gz CFEBCOZMVVWRSY-INIZCTEOSA-N 1 1 349.822 0.866 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001041821023 782271802 /nfs/dbraw/zinc/27/18/02/782271802.db2.gz CFEBCOZMVVWRSY-INIZCTEOSA-N 1 1 349.822 0.866 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001041821621 782272782 /nfs/dbraw/zinc/27/27/82/782272782.db2.gz GZNLFQDEVPJGBB-KRWDZBQOSA-N 1 1 327.388 0.137 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)CC(=O)NCC2CC2)CC1 ZINC001098529050 732909854 /nfs/dbraw/zinc/90/98/54/732909854.db2.gz VCEGTHOVVOWLBZ-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3nccn4ccnc34)[C@H]2C1 ZINC001083196706 733012337 /nfs/dbraw/zinc/01/23/37/733012337.db2.gz DLUKWFTZFPKLDE-UONOGXRCSA-N 1 1 327.388 0.831 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3nccn4ccnc34)[C@H]2C1 ZINC001083196706 733012340 /nfs/dbraw/zinc/01/23/40/733012340.db2.gz DLUKWFTZFPKLDE-UONOGXRCSA-N 1 1 327.388 0.831 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CNc2cnc(C#N)cn2)C(C)(C)C)C1 ZINC001125828919 738683565 /nfs/dbraw/zinc/68/35/65/738683565.db2.gz YTEQUDAFYXUFFR-UONOGXRCSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CNc2cnc(C#N)cn2)C(C)(C)C)C1 ZINC001125828919 738683568 /nfs/dbraw/zinc/68/35/68/738683568.db2.gz YTEQUDAFYXUFFR-UONOGXRCSA-N 1 1 346.435 0.622 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)CNc2ccnc(C#N)n2)CC[N@H+]1C ZINC001104249501 733157908 /nfs/dbraw/zinc/15/79/08/733157908.db2.gz SKBVQDCAZDGYMQ-HZSPNIEDSA-N 1 1 330.436 0.665 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CCN(CC(=O)NC)C3)C2)CC1 ZINC001041844772 782326648 /nfs/dbraw/zinc/32/66/48/782326648.db2.gz MUMPKSZWAOFLQN-IBGZPJMESA-N 1 1 346.475 0.002 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2ccc(C#C)cn2)CC1 ZINC001098536423 733196604 /nfs/dbraw/zinc/19/66/04/733196604.db2.gz KCRSDNCEDLBGNM-UHFFFAOYSA-N 1 1 325.412 0.985 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3c(C)cnn3C)C2)C1=O ZINC000970296319 733328061 /nfs/dbraw/zinc/32/80/61/733328061.db2.gz RYPVNRBQTXOSOQ-UKRRQHHQSA-N 1 1 345.447 0.566 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1ccncc1C#N ZINC001104253085 733367901 /nfs/dbraw/zinc/36/79/01/733367901.db2.gz DOXUAGXIALLBDB-PBHICJAKSA-N 1 1 325.416 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1ccncc1C#N ZINC001104253085 733367904 /nfs/dbraw/zinc/36/79/04/733367904.db2.gz DOXUAGXIALLBDB-PBHICJAKSA-N 1 1 325.416 0.637 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970359704 733412343 /nfs/dbraw/zinc/41/23/43/733412343.db2.gz VCSZUVLDJLPEIS-IAQYHMDHSA-N 1 1 327.388 0.176 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3conc3C)C2)C1=O ZINC000970361440 733415578 /nfs/dbraw/zinc/41/55/78/733415578.db2.gz OBVPKOSQSGNCNZ-NHYWBVRUSA-N 1 1 332.404 0.820 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNc2ccncc2C#N)CC1 ZINC001067471131 733439017 /nfs/dbraw/zinc/43/90/17/733439017.db2.gz UFNVVXBBAZXOAD-INIZCTEOSA-N 1 1 343.431 0.235 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCCNC3=O)C2)nn1 ZINC000970552725 733668696 /nfs/dbraw/zinc/66/86/96/733668696.db2.gz PKTJOLYUXSMJAA-SWLSCSKDSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@H](C)C(=O)NC)C2)nn1 ZINC000970563104 733677782 /nfs/dbraw/zinc/67/77/82/733677782.db2.gz PYPIEBYXISVSAQ-VXGBXAGGSA-N 1 1 334.424 0.039 20 30 ECEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2cccnn21 ZINC001114939104 733693682 /nfs/dbraw/zinc/69/36/82/733693682.db2.gz BPSRFUWSEFPNJM-VIKVFOODSA-N 1 1 325.372 0.039 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccncn3)C2)C1=O ZINC000970613885 733743708 /nfs/dbraw/zinc/74/37/08/733743708.db2.gz SMLGVGQXRUPYDN-SWLSCSKDSA-N 1 1 329.404 0.314 20 30 ECEDMO Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210546078 733815109 /nfs/dbraw/zinc/81/51/09/733815109.db2.gz RWTALPSOJIROGI-CYBMUJFWSA-N 1 1 346.435 0.676 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3oncc3C)C2)C1=O ZINC000970680645 733817567 /nfs/dbraw/zinc/81/75/67/733817567.db2.gz AVNPMCDVVLKZFK-GXTWGEPZSA-N 1 1 332.404 0.820 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)C1 ZINC001025177558 738762710 /nfs/dbraw/zinc/76/27/10/738762710.db2.gz NKIPMFOEXSYRDW-BRWVUGGUSA-N 1 1 347.459 0.210 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H](C)C1C[NH+]([C@H](C)C(=O)NC)C1 ZINC000970713842 733861309 /nfs/dbraw/zinc/86/13/09/733861309.db2.gz KVXGCCRJKMSVLE-CHWSQXEVSA-N 1 1 346.431 0.831 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)CC1 ZINC000970788122 733941076 /nfs/dbraw/zinc/94/10/76/733941076.db2.gz JVCUBPSRMIFVTB-QGZVFWFLSA-N 1 1 346.475 0.145 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CN(c2cc(CC)[nH+]c(C)n2)CCO1 ZINC001104298690 734082478 /nfs/dbraw/zinc/08/24/78/734082478.db2.gz SPFFLSMVDXMASM-HNNXBMFYSA-N 1 1 334.420 0.871 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC001039246276 734113279 /nfs/dbraw/zinc/11/32/79/734113279.db2.gz ZCHVNOUUUGBVDT-OAHLLOKOSA-N 1 1 333.432 0.882 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(CCC)C3)[C@H]2C1 ZINC001083209025 734117017 /nfs/dbraw/zinc/11/70/17/734117017.db2.gz MTFIKFDVNUTJIC-HRCADAONSA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(CCC)C3)[C@H]2C1 ZINC001083209025 734117020 /nfs/dbraw/zinc/11/70/20/734117020.db2.gz MTFIKFDVNUTJIC-HRCADAONSA-N 1 1 333.432 0.180 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(CCC)C3)[C@H]2C1 ZINC001083209216 734119515 /nfs/dbraw/zinc/11/95/15/734119515.db2.gz VTOARXCITILVJX-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C2 ZINC001098209414 734136008 /nfs/dbraw/zinc/13/60/08/734136008.db2.gz YGPZMACDTJMVBG-MXWKQRLJSA-N 1 1 332.360 0.255 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001078161273 782405425 /nfs/dbraw/zinc/40/54/25/782405425.db2.gz MOCXOVULRKJHEH-FVQBIDKESA-N 1 1 335.448 0.515 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(c3ccncc3C#N)CCO2)C1 ZINC001104321314 734295895 /nfs/dbraw/zinc/29/58/95/734295895.db2.gz AIYJGHXVUZNRNR-HOCLYGCPSA-N 1 1 343.431 0.616 20 30 ECEDMO Cn1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)cc1=O ZINC000971290740 734422307 /nfs/dbraw/zinc/42/23/07/734422307.db2.gz DRCQMMXPIWZOBA-OAHLLOKOSA-N 1 1 339.399 0.932 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001025216462 738816546 /nfs/dbraw/zinc/81/65/46/738816546.db2.gz KAXYJVXPTJTUAV-CAOSSQGBSA-N 1 1 349.475 0.761 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000971356278 734468768 /nfs/dbraw/zinc/46/87/68/734468768.db2.gz LCZNHPGQBHNSNC-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO C[N@@H+](C[C@H]1CCc2ncnn21)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971375463 734487543 /nfs/dbraw/zinc/48/75/43/734487543.db2.gz AETXWMVBCYXDGC-HUUCEWRRSA-N 1 1 339.403 0.812 20 30 ECEDMO N#Cc1ccc(N2CCO[C@H](CNC(=O)Cc3cnc[nH]3)C2)nc1 ZINC001104350148 734524291 /nfs/dbraw/zinc/52/42/91/734524291.db2.gz POKMCNMXKNTBMT-CQSZACIVSA-N 1 1 326.360 0.240 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973151799 738832051 /nfs/dbraw/zinc/83/20/51/738832051.db2.gz XDDIVTRVLIULBV-YDHLFZDLSA-N 1 1 329.404 0.748 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545126 734738505 /nfs/dbraw/zinc/73/85/05/734738505.db2.gz KZAQDCJFEYZCMZ-OAHLLOKOSA-N 1 1 325.376 0.278 20 30 ECEDMO C=CCCC[N@H+](CCO)C1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC001098555113 734880610 /nfs/dbraw/zinc/88/06/10/734880610.db2.gz FMQIRNOTJJSYEX-UHFFFAOYSA-N 1 1 348.447 0.645 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O ZINC001078183309 782447039 /nfs/dbraw/zinc/44/70/39/782447039.db2.gz LHMOTMKDWOIMGV-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC001098555450 734896933 /nfs/dbraw/zinc/89/69/33/734896933.db2.gz JSLYJCQPLYNONK-UHFFFAOYSA-N 1 1 334.420 0.255 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CCc2c(C)n[nH]c2C)CC1 ZINC001098558438 735256577 /nfs/dbraw/zinc/25/65/77/735256577.db2.gz CPZATBPNIAUXSQ-UHFFFAOYSA-N 1 1 332.448 0.878 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)Cn2c(C)csc2=O)CC1 ZINC001098558609 735267768 /nfs/dbraw/zinc/26/77/68/735267768.db2.gz NCEFPGPJUWODBU-UHFFFAOYSA-N 1 1 339.461 0.690 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078269 735618332 /nfs/dbraw/zinc/61/83/32/735618332.db2.gz DWMCLSSXXJPOON-RISCZKNCSA-N 1 1 332.429 0.789 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001006398833 751349285 /nfs/dbraw/zinc/34/92/85/751349285.db2.gz GDYVHBVTFFBHOB-RDJZCZTQSA-N 1 1 348.491 0.648 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001006398833 751349292 /nfs/dbraw/zinc/34/92/92/751349292.db2.gz GDYVHBVTFFBHOB-RDJZCZTQSA-N 1 1 348.491 0.648 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3nccn4cc(C)nc34)[C@H]2C1 ZINC001083243415 735680681 /nfs/dbraw/zinc/68/06/81/735680681.db2.gz ZZGBFEZKFZIKCO-UONOGXRCSA-N 1 1 327.388 0.749 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nccn4cc(C)nc34)[C@H]2C1 ZINC001083243415 735680684 /nfs/dbraw/zinc/68/06/84/735680684.db2.gz ZZGBFEZKFZIKCO-UONOGXRCSA-N 1 1 327.388 0.749 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972198431 735776062 /nfs/dbraw/zinc/77/60/62/735776062.db2.gz GXCLWOMNVDOFGF-DZGCQCFKSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972198431 735776065 /nfs/dbraw/zinc/77/60/65/735776065.db2.gz GXCLWOMNVDOFGF-DZGCQCFKSA-N 1 1 345.378 0.411 20 30 ECEDMO CON=Cc1ccc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000588519367 735780205 /nfs/dbraw/zinc/78/02/05/735780205.db2.gz BDBLRNHJMXYEDC-MRXNPFEDSA-N 1 1 344.415 0.703 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972208313 735789910 /nfs/dbraw/zinc/78/99/10/735789910.db2.gz YKNXQKWTZJVTNQ-LSDHHAIUSA-N 1 1 327.388 0.272 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001078210056 782498079 /nfs/dbraw/zinc/49/80/79/782498079.db2.gz TWPYSIIDEIQREP-NUJGCVRESA-N 1 1 328.412 0.792 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972221292 735805660 /nfs/dbraw/zinc/80/56/60/735805660.db2.gz AKXKOSAZEAOPEE-OAHLLOKOSA-N 1 1 326.400 0.856 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCOCC2)C1 ZINC000972246700 735835394 /nfs/dbraw/zinc/83/53/94/735835394.db2.gz QNZBZTUPXZYKDQ-YJBOKZPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCOCC2)C1 ZINC000972246700 735835399 /nfs/dbraw/zinc/83/53/99/735835399.db2.gz QNZBZTUPXZYKDQ-YJBOKZPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC000972248139 735840385 /nfs/dbraw/zinc/84/03/85/735840385.db2.gz WSMWQGRUSVUEEQ-DYVFJYSZSA-N 1 1 336.436 0.673 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCCN(C)C3=O)C2)c1 ZINC000972284459 735889141 /nfs/dbraw/zinc/88/91/41/735889141.db2.gz JWISTWNGSVVPFN-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)N3CCCC3=O)[C@H]2C1 ZINC001083246559 735896372 /nfs/dbraw/zinc/89/63/72/735896372.db2.gz XSNRVOLATIGXEI-HRCADAONSA-N 1 1 335.448 0.875 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@H+](CCc1cnn(C)c1)CCO2 ZINC000972297412 735906725 /nfs/dbraw/zinc/90/67/25/735906725.db2.gz IUYCLYDQZOYTKL-YOEHRIQHSA-N 1 1 331.420 0.426 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCc1cnn(C)c1)CCO2 ZINC000972297412 735906728 /nfs/dbraw/zinc/90/67/28/735906728.db2.gz IUYCLYDQZOYTKL-YOEHRIQHSA-N 1 1 331.420 0.426 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccn4c(=O)[nH]nc34)[C@H]2C1 ZINC001083246620 735964889 /nfs/dbraw/zinc/96/48/89/735964889.db2.gz BFKJILJWSDOLQX-UONOGXRCSA-N 1 1 343.387 0.536 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3ccc(C)n3)C2)C1=O ZINC000972361298 736015325 /nfs/dbraw/zinc/01/53/25/736015325.db2.gz DQFNUTGVNGEFLY-HOTGVXAUSA-N 1 1 345.447 0.511 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3cn[nH]n3)C2)C1=O ZINC000972370513 736025034 /nfs/dbraw/zinc/02/50/34/736025034.db2.gz PWUWZZSCCKCMPD-HUUCEWRRSA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)CCc3c[nH]nn3)C2)C1=O ZINC000972370513 736025041 /nfs/dbraw/zinc/02/50/41/736025041.db2.gz PWUWZZSCCKCMPD-HUUCEWRRSA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3c[nH]nn3)C2)C1=O ZINC000972370513 736025045 /nfs/dbraw/zinc/02/50/45/736025045.db2.gz PWUWZZSCCKCMPD-HUUCEWRRSA-N 1 1 346.435 0.057 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Oc3ccccn3)[C@H]2C1 ZINC001083250345 736072563 /nfs/dbraw/zinc/07/25/63/736072563.db2.gz MGPFPZNLEWTLJA-HRCADAONSA-N 1 1 329.400 0.784 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001114939561 736081502 /nfs/dbraw/zinc/08/15/02/736081502.db2.gz KFKMUKUNEWZVAX-OCABDXPQSA-N 1 1 338.411 0.476 20 30 ECEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001114939561 736081505 /nfs/dbraw/zinc/08/15/05/736081505.db2.gz KFKMUKUNEWZVAX-OCABDXPQSA-N 1 1 338.411 0.476 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 ZINC000972411372 736145613 /nfs/dbraw/zinc/14/56/13/736145613.db2.gz ZGSABUPKSIBVHD-CRAIPNDOSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 ZINC000972411372 736145617 /nfs/dbraw/zinc/14/56/17/736145617.db2.gz ZGSABUPKSIBVHD-CRAIPNDOSA-N 1 1 333.432 0.229 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000972420378 736163119 /nfs/dbraw/zinc/16/31/19/736163119.db2.gz UGEFGIUHLJKBIK-MAUKXSAKSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)C1 ZINC000972437238 736195473 /nfs/dbraw/zinc/19/54/73/736195473.db2.gz ACRLFBBXWXVHKO-APWZRJJASA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)C1 ZINC000972437238 736195475 /nfs/dbraw/zinc/19/54/75/736195475.db2.gz ACRLFBBXWXVHKO-APWZRJJASA-N 1 1 342.443 0.772 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972480887 736308837 /nfs/dbraw/zinc/30/88/37/736308837.db2.gz VFPPYZXRMHVRMO-YJBOKZPZSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972480887 736308842 /nfs/dbraw/zinc/30/88/42/736308842.db2.gz VFPPYZXRMHVRMO-YJBOKZPZSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972493101 736385538 /nfs/dbraw/zinc/38/55/38/736385538.db2.gz VUXOTZPWCOMAGP-GOSISDBHSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972493101 736385540 /nfs/dbraw/zinc/38/55/40/736385540.db2.gz VUXOTZPWCOMAGP-GOSISDBHSA-N 1 1 344.415 0.739 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000981966896 751370961 /nfs/dbraw/zinc/37/09/61/751370961.db2.gz GXTLENUUWKKOQX-UHFFFAOYSA-N 1 1 329.400 0.869 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 ZINC000972506299 736451044 /nfs/dbraw/zinc/45/10/44/736451044.db2.gz JSZGCJBWVXIYLS-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 ZINC001098575519 736504628 /nfs/dbraw/zinc/50/46/28/736504628.db2.gz SNLNWYHTOORDQE-UHFFFAOYSA-N 1 1 349.456 0.769 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)nn1 ZINC000972515927 736519875 /nfs/dbraw/zinc/51/98/75/736519875.db2.gz DLLYHBCYFATMBZ-AWEZNQCLSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)nn1 ZINC000972515927 736519878 /nfs/dbraw/zinc/51/98/78/736519878.db2.gz DLLYHBCYFATMBZ-AWEZNQCLSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972522702 736563606 /nfs/dbraw/zinc/56/36/06/736563606.db2.gz BAJWKBFSYICNES-KRWDZBQOSA-N 1 1 334.420 0.678 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972524688 736569840 /nfs/dbraw/zinc/56/98/40/736569840.db2.gz VOUPIUKHUUSFAT-RDTXWAMCSA-N 1 1 343.431 0.551 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972524688 736569842 /nfs/dbraw/zinc/56/98/42/736569842.db2.gz VOUPIUKHUUSFAT-RDTXWAMCSA-N 1 1 343.431 0.551 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296033 736655754 /nfs/dbraw/zinc/65/57/54/736655754.db2.gz NJBVOYWLXNRQPU-GFCCVEGCSA-N 1 1 327.392 0.657 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296033 736655755 /nfs/dbraw/zinc/65/57/55/736655755.db2.gz NJBVOYWLXNRQPU-GFCCVEGCSA-N 1 1 327.392 0.657 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)[nH]1 ZINC001023319361 736679446 /nfs/dbraw/zinc/67/94/46/736679446.db2.gz ZTUVVMOIQRJTOQ-SWLSCSKDSA-N 1 1 329.404 0.607 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cnnn3C)C2)C1=O ZINC001023344416 736716684 /nfs/dbraw/zinc/71/66/84/736716684.db2.gz OAIGCXFJBBNQOV-ZIAGYGMSSA-N 1 1 346.435 0.044 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001023363005 736741231 /nfs/dbraw/zinc/74/12/31/736741231.db2.gz YZWBEHGLNVOULQ-ZIAGYGMSSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C#CC2CC2)C1 ZINC001059846859 751373741 /nfs/dbraw/zinc/37/37/41/751373741.db2.gz GQWADAKSTNRKOX-MSOLQXFVSA-N 1 1 341.455 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C#CC2CC2)C1 ZINC001059846859 751373748 /nfs/dbraw/zinc/37/37/48/751373748.db2.gz GQWADAKSTNRKOX-MSOLQXFVSA-N 1 1 341.455 0.852 20 30 ECEDMO N#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001023411368 736794667 /nfs/dbraw/zinc/79/46/67/736794667.db2.gz DKKHRASTGMSJMO-NVXWUHKLSA-N 1 1 334.464 0.982 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccncn3)C2)C1=O ZINC000972577019 736910644 /nfs/dbraw/zinc/91/06/44/736910644.db2.gz YPVGGVKMEIOQBK-ZFWWWQNUSA-N 1 1 329.404 0.410 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)CC1 ZINC001098577531 736946920 /nfs/dbraw/zinc/94/69/20/736946920.db2.gz LPYICFARSVFZGB-RDJZCZTQSA-N 1 1 338.448 0.489 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3c[nH]nc3C)C2)C1=O ZINC001023522203 736951318 /nfs/dbraw/zinc/95/13/18/736951318.db2.gz WCZLKQMJKSPOKW-GDBMZVCRSA-N 1 1 345.447 0.947 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972586008 736975669 /nfs/dbraw/zinc/97/56/69/736975669.db2.gz SPJGJOZIOUTRSB-KRWDZBQOSA-N 1 1 348.451 0.676 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972586008 736975672 /nfs/dbraw/zinc/97/56/72/736975672.db2.gz SPJGJOZIOUTRSB-KRWDZBQOSA-N 1 1 348.451 0.676 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@H](C)O)CCO3)nn1 ZINC000972589336 736997711 /nfs/dbraw/zinc/99/77/11/736997711.db2.gz HEGCINRQPRWDBK-WMLDXEAASA-N 1 1 349.435 0.152 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@H](C)O)CCO3)nn1 ZINC000972589336 736997712 /nfs/dbraw/zinc/99/77/12/736997712.db2.gz HEGCINRQPRWDBK-WMLDXEAASA-N 1 1 349.435 0.152 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC([N@H+](CCO)C[C@@H](C)OC)CC1 ZINC001098577845 737008873 /nfs/dbraw/zinc/00/88/73/737008873.db2.gz SHAUPZXBFAUENN-HUUCEWRRSA-N 1 1 328.453 0.898 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001023564220 737013222 /nfs/dbraw/zinc/01/32/22/737013222.db2.gz IKTAMHMWADUYJF-JKSUJKDBSA-N 1 1 341.415 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001023588962 737042576 /nfs/dbraw/zinc/04/25/76/737042576.db2.gz PJWPMLHAQWMDBW-CQSZACIVSA-N 1 1 330.432 0.598 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC000972602906 737068260 /nfs/dbraw/zinc/06/82/60/737068260.db2.gz SBMSKUZTCPUKFL-QGZVFWFLSA-N 1 1 342.403 0.617 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC000972602906 737068265 /nfs/dbraw/zinc/06/82/65/737068265.db2.gz SBMSKUZTCPUKFL-QGZVFWFLSA-N 1 1 342.403 0.617 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000972611294 737095289 /nfs/dbraw/zinc/09/52/89/737095289.db2.gz FOZCYCRULWXVSY-MRXNPFEDSA-N 1 1 334.424 0.333 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001023639769 737127897 /nfs/dbraw/zinc/12/78/97/737127897.db2.gz MWHIZXVJATXLLK-AWEZNQCLSA-N 1 1 348.451 0.384 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972637889 737196967 /nfs/dbraw/zinc/19/69/67/737196967.db2.gz FGUPLVCYYNIFSH-KDOFPFPSSA-N 1 1 345.447 0.789 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972637889 737196971 /nfs/dbraw/zinc/19/69/71/737196971.db2.gz FGUPLVCYYNIFSH-KDOFPFPSSA-N 1 1 345.447 0.789 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972640385 737203119 /nfs/dbraw/zinc/20/31/19/737203119.db2.gz JFVRMMLSCOUMIZ-SFHVURJKSA-N 1 1 345.399 0.003 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972640385 737203120 /nfs/dbraw/zinc/20/31/20/737203120.db2.gz JFVRMMLSCOUMIZ-SFHVURJKSA-N 1 1 345.399 0.003 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001023709890 737227975 /nfs/dbraw/zinc/22/79/75/737227975.db2.gz DSTVOEJWOGNPDY-OAHLLOKOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@H](C)O)CCO3)nc1 ZINC000972644540 737233151 /nfs/dbraw/zinc/23/31/51/737233151.db2.gz ZAVRACMIJJEBOM-KSSFIOAISA-N 1 1 329.400 0.361 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@H](C)O)CCO3)nc1 ZINC000972644540 737233153 /nfs/dbraw/zinc/23/31/53/737233153.db2.gz ZAVRACMIJJEBOM-KSSFIOAISA-N 1 1 329.400 0.361 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001023730507 737253997 /nfs/dbraw/zinc/25/39/97/737253997.db2.gz YTSARYYUGAVKGI-CABCVRRESA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001023730507 737254001 /nfs/dbraw/zinc/25/40/01/737254001.db2.gz YTSARYYUGAVKGI-CABCVRRESA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001023742936 737283859 /nfs/dbraw/zinc/28/38/59/737283859.db2.gz RVWQODOLTUYVAC-NSHDSACASA-N 1 1 340.811 0.680 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001023742936 737283863 /nfs/dbraw/zinc/28/38/63/737283863.db2.gz RVWQODOLTUYVAC-NSHDSACASA-N 1 1 340.811 0.680 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)n(C)n3)C2)C1 ZINC000972702218 737481458 /nfs/dbraw/zinc/48/14/58/737481458.db2.gz IEASACYHNUSSGR-SFHVURJKSA-N 1 1 330.432 0.923 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)n(C)n3)C2)C1 ZINC000972702218 737481462 /nfs/dbraw/zinc/48/14/62/737481462.db2.gz IEASACYHNUSSGR-SFHVURJKSA-N 1 1 330.432 0.923 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001069993986 790288786 /nfs/dbraw/zinc/28/87/86/790288786.db2.gz YRQFVPJLKNPURG-ZNMIVQPWSA-N 1 1 346.435 0.207 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001069993986 790288790 /nfs/dbraw/zinc/28/87/90/790288790.db2.gz YRQFVPJLKNPURG-ZNMIVQPWSA-N 1 1 346.435 0.207 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)nc1 ZINC000972754371 737595515 /nfs/dbraw/zinc/59/55/15/737595515.db2.gz XRWPBYQYIOFCBO-DZGCQCFKSA-N 1 1 340.383 0.014 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCN(CC)C3=O)C2)cn1 ZINC000972754933 737595694 /nfs/dbraw/zinc/59/56/94/737595694.db2.gz AAPQAKOCYJFTPQ-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCO3)C[C@H]21 ZINC000972842662 737763774 /nfs/dbraw/zinc/76/37/74/737763774.db2.gz LEULMCSQNBCMNL-YYIAUSFCSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCO3)C[C@H]21 ZINC000972842662 737763777 /nfs/dbraw/zinc/76/37/77/737763777.db2.gz LEULMCSQNBCMNL-YYIAUSFCSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cnco3)C[C@H]21 ZINC000972842833 737764140 /nfs/dbraw/zinc/76/41/40/737764140.db2.gz SURZVXVHLITKGX-QLFBSQMISA-N 1 1 342.399 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cnco3)C[C@H]21 ZINC000972842833 737764142 /nfs/dbraw/zinc/76/41/42/737764142.db2.gz SURZVXVHLITKGX-QLFBSQMISA-N 1 1 342.399 0.445 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cocn3)C(C)(C)C2)C1=O ZINC000972863876 737781545 /nfs/dbraw/zinc/78/15/45/737781545.db2.gz QGHFSYOXRMXLCK-KBPBESRZSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cocn3)C(C)(C)C2)C1=O ZINC000972863876 737781548 /nfs/dbraw/zinc/78/15/48/737781548.db2.gz QGHFSYOXRMXLCK-KBPBESRZSA-N 1 1 332.404 0.902 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001024164643 737793192 /nfs/dbraw/zinc/79/31/92/737793192.db2.gz FIUYNESPHRRUDM-MJBXVCDLSA-N 1 1 334.424 0.129 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cn[nH]c2)C1=O ZINC001024341928 737909660 /nfs/dbraw/zinc/90/96/60/737909660.db2.gz NJLSNKJPDWBKDW-LSDHHAIUSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cn[nH]c2)C1=O ZINC001024341928 737909664 /nfs/dbraw/zinc/90/96/64/737909664.db2.gz NJLSNKJPDWBKDW-LSDHHAIUSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ccnn2C)C1=O ZINC001024360739 737913637 /nfs/dbraw/zinc/91/36/37/737913637.db2.gz WFNYSYCLHSLFIX-GOEBONIOSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ccnn2C)C1=O ZINC001024360739 737913638 /nfs/dbraw/zinc/91/36/38/737913638.db2.gz WFNYSYCLHSLFIX-GOEBONIOSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ccnn2C)C1=O ZINC001024360740 737913642 /nfs/dbraw/zinc/91/36/42/737913642.db2.gz WFNYSYCLHSLFIX-HOCLYGCPSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ccnn2C)C1=O ZINC001024360740 737913643 /nfs/dbraw/zinc/91/36/43/737913643.db2.gz WFNYSYCLHSLFIX-HOCLYGCPSA-N 1 1 345.447 0.791 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001024466569 737997487 /nfs/dbraw/zinc/99/74/87/737997487.db2.gz BULARUOISQUXGS-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001024511309 738041474 /nfs/dbraw/zinc/04/14/74/738041474.db2.gz FWRNWGDJDMMJJX-CYBMUJFWSA-N 1 1 339.417 0.535 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1-n1cnnn1 ZINC001024530675 738067214 /nfs/dbraw/zinc/06/72/14/738067214.db2.gz IVASIXGZDNMPMT-GFCCVEGCSA-N 1 1 330.417 0.941 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1-n1cnnn1 ZINC001024530675 738067218 /nfs/dbraw/zinc/06/72/18/738067218.db2.gz IVASIXGZDNMPMT-GFCCVEGCSA-N 1 1 330.417 0.941 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]2CCC[N@H+](CC(N)=O)[C@@H]21 ZINC001087278845 738075478 /nfs/dbraw/zinc/07/54/78/738075478.db2.gz NNDTZOSEDZIYAS-CFVMTHIKSA-N 1 1 329.404 0.590 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]2CCC[N@@H+](CC(N)=O)[C@@H]21 ZINC001087278845 738075483 /nfs/dbraw/zinc/07/54/83/738075483.db2.gz NNDTZOSEDZIYAS-CFVMTHIKSA-N 1 1 329.404 0.590 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cncn2C)C1=O ZINC001024536920 738076255 /nfs/dbraw/zinc/07/62/55/738076255.db2.gz WTTZRXCNIRUUMV-CABCVRRESA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cncn2C)C1=O ZINC001024536920 738076259 /nfs/dbraw/zinc/07/62/59/738076259.db2.gz WTTZRXCNIRUUMV-CABCVRRESA-N 1 1 345.447 0.791 20 30 ECEDMO COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCCCOC)C1 ZINC001111931401 738100926 /nfs/dbraw/zinc/10/09/26/738100926.db2.gz DMHMBTISUFKKJF-WMZOPIPTSA-N 1 1 338.448 0.660 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)ccn2)CC1 ZINC001098588401 738121110 /nfs/dbraw/zinc/12/11/10/738121110.db2.gz KZVBOBJUZMSJBX-UHFFFAOYSA-N 1 1 346.431 0.656 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)CC1 ZINC001098588413 738122652 /nfs/dbraw/zinc/12/26/52/738122652.db2.gz LBGGXKVMHCNMKU-LJQANCHMSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1COCCN1CC(F)F ZINC001024575127 738123739 /nfs/dbraw/zinc/12/37/39/738123739.db2.gz HTBVVKCPEUYWLA-HUUCEWRRSA-N 1 1 343.418 0.946 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2csnn2)C1=O ZINC001024578627 738125705 /nfs/dbraw/zinc/12/57/05/738125705.db2.gz YEZNASRAMVTSHX-TZMCWYRMSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2csnn2)C1=O ZINC001024578627 738125707 /nfs/dbraw/zinc/12/57/07/738125707.db2.gz YEZNASRAMVTSHX-TZMCWYRMSA-N 1 1 349.460 0.909 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc2nnnn2c1 ZINC001087295507 738142091 /nfs/dbraw/zinc/14/20/91/738142091.db2.gz KHXPXCDYCADWKX-VNQPRFMTSA-N 1 1 338.415 0.976 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C(N)=O)C(C)(C)[C@H]21 ZINC001087301133 738167219 /nfs/dbraw/zinc/16/72/19/738167219.db2.gz XEMYVLDCTQKYQS-VWYCJHECSA-N 1 1 344.253 0.986 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCNC(=O)C1 ZINC001087298194 738156076 /nfs/dbraw/zinc/15/60/76/738156076.db2.gz AZBYPNYDTWAECO-XOKHGSTOSA-N 1 1 334.464 0.209 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)C(N)=O)C(C)(C)[C@H]21 ZINC001087301133 738167217 /nfs/dbraw/zinc/16/72/17/738167217.db2.gz XEMYVLDCTQKYQS-VWYCJHECSA-N 1 1 344.253 0.986 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1 ZINC001024627195 738178779 /nfs/dbraw/zinc/17/87/79/738178779.db2.gz JXVFDNDOPALZOE-HOTGVXAUSA-N 1 1 341.415 0.710 20 30 ECEDMO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001024690437 738222916 /nfs/dbraw/zinc/22/29/16/738222916.db2.gz VNZBYPMUBZQLAF-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001024690437 738222919 /nfs/dbraw/zinc/22/29/19/738222919.db2.gz VNZBYPMUBZQLAF-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C(C)(C)[C@@H]21 ZINC001087309621 738236378 /nfs/dbraw/zinc/23/63/78/738236378.db2.gz JUNDMNSDEFVAOK-DAXOMENPSA-N 1 1 333.432 0.830 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001024736001 738258332 /nfs/dbraw/zinc/25/83/32/738258332.db2.gz YZVCNGJHFGXTHD-HUUCEWRRSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001024736001 738258335 /nfs/dbraw/zinc/25/83/35/738258335.db2.gz YZVCNGJHFGXTHD-HUUCEWRRSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C(C)(C)[C@@H]21 ZINC001087316591 738272168 /nfs/dbraw/zinc/27/21/68/738272168.db2.gz UUDUPTDNTXHTFQ-MRVWCRGKSA-N 1 1 344.415 0.338 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)c2ccn[nH]2)C1=O ZINC001024881825 738366525 /nfs/dbraw/zinc/36/65/25/738366525.db2.gz UIWSHWQJLWQXHO-ZIAGYGMSSA-N 1 1 331.420 0.781 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025259376 738944701 /nfs/dbraw/zinc/94/47/01/738944701.db2.gz OTPDZHUHIVVKBZ-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC000973258748 738994136 /nfs/dbraw/zinc/99/41/36/738994136.db2.gz YKKQQMHBOBQOGH-KKUMJFAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC000973258748 738994137 /nfs/dbraw/zinc/99/41/37/738994137.db2.gz YKKQQMHBOBQOGH-KKUMJFAQSA-N 1 1 343.431 0.203 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001025276636 738997271 /nfs/dbraw/zinc/99/72/71/738997271.db2.gz JWBPOCDFQNASGG-HOTGVXAUSA-N 1 1 345.443 0.908 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000973294843 739058491 /nfs/dbraw/zinc/05/84/91/739058491.db2.gz ZQQOPYMWQYPHQG-JYJNAYRXSA-N 1 1 343.431 0.053 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000973295457 739059909 /nfs/dbraw/zinc/05/99/09/739059909.db2.gz LXULVWVTMGBVPO-BRWVUGGUSA-N 1 1 346.475 0.047 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104579732 739065245 /nfs/dbraw/zinc/06/52/45/739065245.db2.gz QEAIBOJHRGSJBU-OCCSQVGLSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104579732 739065247 /nfs/dbraw/zinc/06/52/47/739065247.db2.gz QEAIBOJHRGSJBU-OCCSQVGLSA-N 1 1 332.408 0.328 20 30 ECEDMO C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104620996 739230929 /nfs/dbraw/zinc/23/09/29/739230929.db2.gz ATGJUXRWLONERB-CQSZACIVSA-N 1 1 331.420 0.934 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001025392608 739362133 /nfs/dbraw/zinc/36/21/33/739362133.db2.gz YPDUUJCWVQBDFP-QWHCGFSZSA-N 1 1 331.420 0.805 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001025391522 739366211 /nfs/dbraw/zinc/36/62/11/739366211.db2.gz SEAQWHRHVVBQJZ-STQMWFEESA-N 1 1 343.431 0.995 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000973545366 739496505 /nfs/dbraw/zinc/49/65/05/739496505.db2.gz QPHHEPAPNWAUSI-STECZYCISA-N 1 1 340.427 0.638 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001025467702 739610133 /nfs/dbraw/zinc/61/01/33/739610133.db2.gz CHJKWCLGJNODTQ-RYUDHWBXSA-N 1 1 339.417 0.391 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nncn4C3)[C@H]2C1 ZINC001083282495 739649054 /nfs/dbraw/zinc/64/90/54/739649054.db2.gz GWNZHPAKNKINQK-QLFBSQMISA-N 1 1 331.420 0.328 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)c1 ZINC001025529580 739692320 /nfs/dbraw/zinc/69/23/20/739692320.db2.gz CGHJGNMCPJELSF-GOEBONIOSA-N 1 1 342.443 0.981 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2O)C1 ZINC001025545644 739706727 /nfs/dbraw/zinc/70/67/27/739706727.db2.gz JNPKAXUUGBNLSN-HUUCEWRRSA-N 1 1 349.475 0.763 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC(=O)NC)C2)nn1 ZINC001025558595 739718130 /nfs/dbraw/zinc/71/81/30/739718130.db2.gz OEONDXIRKIABQV-ZIAGYGMSSA-N 1 1 348.451 0.431 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(=O)NC)C2)nn1 ZINC001025558593 739718224 /nfs/dbraw/zinc/71/82/24/739718224.db2.gz OEONDXIRKIABQV-UONOGXRCSA-N 1 1 348.451 0.431 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001025593292 739754886 /nfs/dbraw/zinc/75/48/86/739754886.db2.gz ARMJWYOUSJLDHL-STQMWFEESA-N 1 1 344.419 0.824 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001025629479 739793735 /nfs/dbraw/zinc/79/37/35/739793735.db2.gz HBZKSRUOVHHCOQ-QWHCGFSZSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001025629472 739793999 /nfs/dbraw/zinc/79/39/99/739793999.db2.gz HBFJZQMXAXSXKH-ZIAGYGMSSA-N 1 1 348.451 0.383 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001025630055 739795543 /nfs/dbraw/zinc/79/55/43/739795543.db2.gz OMEYLQXYOCABBJ-CHWSQXEVSA-N 1 1 334.424 0.170 20 30 ECEDMO C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001058661449 739960721 /nfs/dbraw/zinc/96/07/21/739960721.db2.gz WPZIZUKALBNLRY-OAHLLOKOSA-N 1 1 346.431 0.215 20 30 ECEDMO C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001058661449 739960724 /nfs/dbraw/zinc/96/07/24/739960724.db2.gz WPZIZUKALBNLRY-OAHLLOKOSA-N 1 1 346.431 0.215 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]21 ZINC001025814090 739997220 /nfs/dbraw/zinc/99/72/20/739997220.db2.gz QUUGESYFJSSPIV-GFEQUFNTSA-N 1 1 345.487 0.947 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006367 790306174 /nfs/dbraw/zinc/30/61/74/790306174.db2.gz SFZFZILYAPGVQD-ZACQAIPSSA-N 1 1 346.479 0.928 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H](n2ccnn2)C1 ZINC001070009323 790312944 /nfs/dbraw/zinc/31/29/44/790312944.db2.gz UKHHXGWYZSNHQT-SJORKVTESA-N 1 1 349.398 0.833 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H](n2ccnn2)C1 ZINC001070009323 790312953 /nfs/dbraw/zinc/31/29/53/790312953.db2.gz UKHHXGWYZSNHQT-SJORKVTESA-N 1 1 349.398 0.833 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001068461940 790315615 /nfs/dbraw/zinc/31/56/15/790315615.db2.gz VRMUBJABIDQGMS-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001026056819 740344014 /nfs/dbraw/zinc/34/40/14/740344014.db2.gz DIFNGLIDZQGRQM-RDGWLKQMSA-N 1 1 333.432 0.245 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104794814 740519214 /nfs/dbraw/zinc/51/92/14/740519214.db2.gz MEWMWBWQEYVHAB-DZGCQCFKSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104794814 740519215 /nfs/dbraw/zinc/51/92/15/740519215.db2.gz MEWMWBWQEYVHAB-DZGCQCFKSA-N 1 1 346.435 0.716 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3snnc3C)C2)nn1 ZINC001098608352 740577502 /nfs/dbraw/zinc/57/75/02/740577502.db2.gz UCPPMRMYDWTMKB-GFCCVEGCSA-N 1 1 333.421 0.801 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)n1 ZINC001026245323 740582577 /nfs/dbraw/zinc/58/25/77/740582577.db2.gz ZYXPTWYVRLCSOC-LEWSCRJBSA-N 1 1 340.391 0.050 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000973972929 740703182 /nfs/dbraw/zinc/70/31/82/740703182.db2.gz BNBLFRWYZOGKRU-JONQDZQNSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000973972929 740703185 /nfs/dbraw/zinc/70/31/85/740703185.db2.gz BNBLFRWYZOGKRU-JONQDZQNSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cscn2)C1 ZINC000974137364 740988709 /nfs/dbraw/zinc/98/87/09/740988709.db2.gz HCVHEMVSSJFPJF-GUTXKFCHSA-N 1 1 346.456 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cscn2)C1 ZINC000974137364 740988715 /nfs/dbraw/zinc/98/87/15/740988715.db2.gz HCVHEMVSSJFPJF-GUTXKFCHSA-N 1 1 346.456 0.547 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000974148093 741007702 /nfs/dbraw/zinc/00/77/02/741007702.db2.gz PLFDODJDVMPBJT-BMFZPTHFSA-N 1 1 326.400 0.392 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nnn(C)n4)[C@H]3C2)C1 ZINC001026356216 741028138 /nfs/dbraw/zinc/02/81/38/741028138.db2.gz OJJBMDLGSGRRBZ-IHRRRGAJSA-N 1 1 330.436 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nccn1CC ZINC001038366155 741056924 /nfs/dbraw/zinc/05/69/24/741056924.db2.gz FKHDOEDYBRMWAN-HOTGVXAUSA-N 1 1 329.448 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nccn1CC ZINC001038366155 741056925 /nfs/dbraw/zinc/05/69/25/741056925.db2.gz FKHDOEDYBRMWAN-HOTGVXAUSA-N 1 1 329.448 0.691 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccc[nH]3)C2)nn1 ZINC001098615238 741063308 /nfs/dbraw/zinc/06/33/08/741063308.db2.gz NMWIMPHIDAXNMP-HNNXBMFYSA-N 1 1 344.419 0.986 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)nc1 ZINC001087406194 741158514 /nfs/dbraw/zinc/15/85/14/741158514.db2.gz VEUPONNCLXVOJC-MPTYRVRUSA-N 1 1 338.411 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2conc2CC)C1 ZINC000974266058 741198631 /nfs/dbraw/zinc/19/86/31/741198631.db2.gz XKIFPJIDEVIZCT-ZENOOKHLSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2conc2CC)C1 ZINC000974266058 741198634 /nfs/dbraw/zinc/19/86/34/741198634.db2.gz XKIFPJIDEVIZCT-ZENOOKHLSA-N 1 1 344.415 0.712 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)[C@H](C)C1 ZINC001105046063 741237779 /nfs/dbraw/zinc/23/77/79/741237779.db2.gz JXBJKOPAVOUVOV-KGLIPLIRSA-N 1 1 330.436 0.759 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)[C@H](C)C1 ZINC001105048313 741241856 /nfs/dbraw/zinc/24/18/56/741241856.db2.gz VGGUWEXAIKANSL-KGLIPLIRSA-N 1 1 330.436 0.761 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000974326696 741321907 /nfs/dbraw/zinc/32/19/07/741321907.db2.gz BYGZDQLIJUXTNQ-OIISXLGYSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC000982148842 751636945 /nfs/dbraw/zinc/63/69/45/751636945.db2.gz YRKPYBOLQMQGCN-UHFFFAOYSA-N 1 1 338.415 0.615 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)COCC=C)C2)nn1 ZINC001105192221 741455354 /nfs/dbraw/zinc/45/53/54/741455354.db2.gz NLKJQZIHDPXYKP-UHFFFAOYSA-N 1 1 335.408 0.156 20 30 ECEDMO CO[C@H](C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001105215536 741486837 /nfs/dbraw/zinc/48/68/37/741486837.db2.gz DCHKTBQOECKDDT-LLVKDONJSA-N 1 1 343.391 0.299 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3nc4nccc(C)n4n3)C2)C1 ZINC000982138120 751650369 /nfs/dbraw/zinc/65/03/69/751650369.db2.gz VETKEEKYFGGQTA-UHFFFAOYSA-N 1 1 338.415 0.994 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C4CCC4)nn3)C2)nn1 ZINC001105242672 741539677 /nfs/dbraw/zinc/53/96/77/741539677.db2.gz CRWIABCRPBJIOA-UHFFFAOYSA-N 1 1 342.407 0.567 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242792 741543559 /nfs/dbraw/zinc/54/35/59/741543559.db2.gz IDPIYURFLIENTO-QGZVFWFLSA-N 1 1 342.447 0.116 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3C(F)F)C2)nn1 ZINC001105249117 741552722 /nfs/dbraw/zinc/55/27/22/741552722.db2.gz KCZSAMFGUFUNFJ-UHFFFAOYSA-N 1 1 337.334 0.842 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)nn1 ZINC001105260047 741583640 /nfs/dbraw/zinc/58/36/40/741583640.db2.gz YHLPJGOZBHMTTD-CQSZACIVSA-N 1 1 340.391 0.049 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C4CC4)cnn3C)C2)nn1 ZINC001105259771 741585823 /nfs/dbraw/zinc/58/58/23/741585823.db2.gz MBSQVGJVIWGOLU-UHFFFAOYSA-N 1 1 341.419 0.862 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3nc4nc(C)cc(C)n4n3)C2)C1 ZINC000982137905 751651193 /nfs/dbraw/zinc/65/11/93/751651193.db2.gz OWEZEBDCGCCVRJ-UHFFFAOYSA-N 1 1 338.415 0.912 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]nc3CC)C2)nn1 ZINC001105275266 741621381 /nfs/dbraw/zinc/62/13/81/741621381.db2.gz JEYBWYUQAITKTK-UHFFFAOYSA-N 1 1 329.408 0.926 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@]34CCC[C@H]3OCC4)C2)nn1 ZINC001105280917 741636403 /nfs/dbraw/zinc/63/64/03/741636403.db2.gz KOIHKIOUDJQNKK-WBVHZDCISA-N 1 1 331.420 0.896 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nc[nH]c3=O)C2)nn1 ZINC001105310164 741719938 /nfs/dbraw/zinc/71/99/38/741719938.db2.gz RCZIPKAPXHVPFT-UHFFFAOYSA-N 1 1 343.391 0.445 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC000982154045 751662010 /nfs/dbraw/zinc/66/20/10/751662010.db2.gz PNRJNLWFBYWHTD-CQSZACIVSA-N 1 1 341.477 0.569 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC000982157184 751664240 /nfs/dbraw/zinc/66/42/40/751664240.db2.gz HBDCKFFYRIYFEV-MRXNPFEDSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCCC[NH2+]Cc1cn(C2CN(C(=O)C3=NC(=O)N(C)C3)C2)nn1 ZINC001105317174 741751718 /nfs/dbraw/zinc/75/17/18/741751718.db2.gz LNLACVUVMPBOKO-UHFFFAOYSA-N 1 1 345.407 0.470 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)Cc3nc(C4CC4)nn3C)C2)C1 ZINC000982158805 751667097 /nfs/dbraw/zinc/66/70/97/751667097.db2.gz YFIMHVODIUYPPV-UHFFFAOYSA-N 1 1 327.432 0.793 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)nn1 ZINC001105328382 741818943 /nfs/dbraw/zinc/81/89/43/741818943.db2.gz BUXOTYYVQVELDN-UHFFFAOYSA-N 1 1 346.479 0.752 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)nn1 ZINC001105328382 741818948 /nfs/dbraw/zinc/81/89/48/741818948.db2.gz BUXOTYYVQVELDN-UHFFFAOYSA-N 1 1 346.479 0.752 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)nn1 ZINC001105328833 741828640 /nfs/dbraw/zinc/82/86/40/741828640.db2.gz YZRVLNMYASCJAV-UHFFFAOYSA-N 1 1 334.468 0.915 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000982171150 751672803 /nfs/dbraw/zinc/67/28/03/751672803.db2.gz XSFSMSJFLYSHDJ-UHFFFAOYSA-N 1 1 326.400 0.742 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccnc(-n4cncn4)c3)C2)C1 ZINC000982171981 751681128 /nfs/dbraw/zinc/68/11/28/751681128.db2.gz UHAGFJXDYRZEEI-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C(C)(C)C1 ZINC000974649925 741955309 /nfs/dbraw/zinc/95/53/09/741955309.db2.gz AZMWLPFJHVGFBQ-OAHLLOKOSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C(C)(C)C1 ZINC000974649925 741955311 /nfs/dbraw/zinc/95/53/11/741955311.db2.gz AZMWLPFJHVGFBQ-OAHLLOKOSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nc(OC)cc(OC)n2)C(C)(C)C1 ZINC000974730009 742126129 /nfs/dbraw/zinc/12/61/29/742126129.db2.gz JXFTUSULIRNMBB-GFCCVEGCSA-N 1 1 332.404 0.957 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974738606 742137772 /nfs/dbraw/zinc/13/77/72/742137772.db2.gz CNWRDSKYIBDZAA-STQMWFEESA-N 1 1 331.420 0.396 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974769317 742160863 /nfs/dbraw/zinc/16/08/63/742160863.db2.gz YJKXSGYPJGYYBL-LLVKDONJSA-N 1 1 325.390 0.000 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974769317 742160866 /nfs/dbraw/zinc/16/08/66/742160866.db2.gz YJKXSGYPJGYYBL-LLVKDONJSA-N 1 1 325.390 0.000 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2-n2cnnn2)C(C)(C)C1 ZINC000974775633 742175095 /nfs/dbraw/zinc/17/50/95/742175095.db2.gz NYXCYHJDUDEIAC-GFCCVEGCSA-N 1 1 330.417 0.797 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2sccc2-n2cnnn2)C(C)(C)C1 ZINC000974775633 742175097 /nfs/dbraw/zinc/17/50/97/742175097.db2.gz NYXCYHJDUDEIAC-GFCCVEGCSA-N 1 1 330.417 0.797 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974999510 742428060 /nfs/dbraw/zinc/42/80/60/742428060.db2.gz WODZQRDBIDCOSE-CABCVRRESA-N 1 1 341.415 0.566 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974999510 742428063 /nfs/dbraw/zinc/42/80/63/742428063.db2.gz WODZQRDBIDCOSE-CABCVRRESA-N 1 1 341.415 0.566 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)nn1 ZINC001105336835 742430165 /nfs/dbraw/zinc/43/01/65/742430165.db2.gz LYPZQKIAURUAFA-UHFFFAOYSA-N 1 1 341.419 0.404 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3n[nH]cc3F)C(C)(C)C2)C1=O ZINC000975013274 742446777 /nfs/dbraw/zinc/44/67/77/742446777.db2.gz GNWNBNJDMAKCBZ-CHWSQXEVSA-N 1 1 349.410 0.776 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3n[nH]cc3F)C(C)(C)C2)C1=O ZINC000975013274 742446779 /nfs/dbraw/zinc/44/67/79/742446779.db2.gz GNWNBNJDMAKCBZ-CHWSQXEVSA-N 1 1 349.410 0.776 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)Cc3c[nH]cn3)C(C)(C)C2)C1=O ZINC000975100556 742481375 /nfs/dbraw/zinc/48/13/75/742481375.db2.gz YCAFSJIQPMBOPG-GJZGRUSLSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)Cc3c[nH]cn3)C(C)(C)C2)C1=O ZINC000975100556 742481379 /nfs/dbraw/zinc/48/13/79/742481379.db2.gz YCAFSJIQPMBOPG-GJZGRUSLSA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CC(=O)N3CCCC3)C[C@]2(C)C1 ZINC000982232903 751738319 /nfs/dbraw/zinc/73/83/19/751738319.db2.gz FEZSBXKWOMGKQZ-OLMNPRSZSA-N 1 1 332.448 0.939 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975312332 742724495 /nfs/dbraw/zinc/72/44/95/742724495.db2.gz IESGUJYSCPTDJD-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975312332 742724497 /nfs/dbraw/zinc/72/44/97/742724497.db2.gz IESGUJYSCPTDJD-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001006748078 751760823 /nfs/dbraw/zinc/76/08/23/751760823.db2.gz BUXYLTZBHJGYCH-LSDHHAIUSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001006748078 751760829 /nfs/dbraw/zinc/76/08/29/751760829.db2.gz BUXYLTZBHJGYCH-LSDHHAIUSA-N 1 1 331.420 0.251 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CCCO1 ZINC001075734995 742870375 /nfs/dbraw/zinc/87/03/75/742870375.db2.gz WMNPANNOXVTQMA-JYJNAYRXSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CCCO1 ZINC001075734995 742870383 /nfs/dbraw/zinc/87/03/83/742870383.db2.gz WMNPANNOXVTQMA-JYJNAYRXSA-N 1 1 335.448 0.664 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001006756215 751776813 /nfs/dbraw/zinc/77/68/13/751776813.db2.gz DFHZHDLQOLJTLZ-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001006756215 751776817 /nfs/dbraw/zinc/77/68/17/751776817.db2.gz DFHZHDLQOLJTLZ-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001020547390 751785850 /nfs/dbraw/zinc/78/58/50/751785850.db2.gz JNTGJSOJHCOPKT-KYZUINATSA-N 1 1 329.198 0.885 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)OC2(CCN(C(C)=O)CC2)C1 ZINC001006771673 751797176 /nfs/dbraw/zinc/79/71/76/751797176.db2.gz KVKRLTAKWSWXLV-WBVHZDCISA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)OC2(CCN(C(C)=O)CC2)C1 ZINC001006771673 751797181 /nfs/dbraw/zinc/79/71/81/751797181.db2.gz KVKRLTAKWSWXLV-WBVHZDCISA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(Cc3cncn3C)C2)CC1 ZINC001029002374 743155330 /nfs/dbraw/zinc/15/53/30/743155330.db2.gz QGOWHRZTCMWVCW-INIZCTEOSA-N 1 1 343.475 0.703 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001029004099 743162292 /nfs/dbraw/zinc/16/22/92/743162292.db2.gz VGKAEVSUURGEOI-CQSZACIVSA-N 1 1 348.451 0.384 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)[C@@H]2CCOC2)C1 ZINC001006776444 751803970 /nfs/dbraw/zinc/80/39/70/751803970.db2.gz GFZDTLJLOOKDKO-LZWOXQAQSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)[C@@H]2CCOC2)C1 ZINC001006776444 751803980 /nfs/dbraw/zinc/80/39/80/751803980.db2.gz GFZDTLJLOOKDKO-LZWOXQAQSA-N 1 1 333.432 0.084 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3nonc3C)C2)C1=O ZINC001029018753 743232997 /nfs/dbraw/zinc/23/29/97/743232997.db2.gz ZHYPSIWGLBRFCT-CHWSQXEVSA-N 1 1 333.392 0.217 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@H+](C)C3CCC3)C2)cn1 ZINC000997104964 743242038 /nfs/dbraw/zinc/24/20/38/743242038.db2.gz YCHHPMFSPFXDTD-UHFFFAOYSA-N 1 1 326.400 0.488 20 30 ECEDMO COCc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000983495075 743274054 /nfs/dbraw/zinc/27/40/54/743274054.db2.gz FKZUFRYFMNTCOL-UMSPYCQHSA-N 1 1 344.375 0.714 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291405 743453295 /nfs/dbraw/zinc/45/32/95/743453295.db2.gz OPMQQKCXQBKZMR-MRXNPFEDSA-N 1 1 339.403 0.668 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC([C@H](C)NC(=O)c3cnn[nH]3)CC2)C1=O ZINC000997658262 743735127 /nfs/dbraw/zinc/73/51/27/743735127.db2.gz OUKZWTKMFSBVEY-WFASDCNBSA-N 1 1 346.435 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCOC1 ZINC000976300189 743799482 /nfs/dbraw/zinc/79/94/82/743799482.db2.gz JTIKEAXFKOPDLR-RNGZQALNSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCOC1 ZINC000976300189 743799485 /nfs/dbraw/zinc/79/94/85/743799485.db2.gz JTIKEAXFKOPDLR-RNGZQALNSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](O)C(C)C ZINC000997770476 743800437 /nfs/dbraw/zinc/80/04/37/743800437.db2.gz YFTSGALZNUDBHI-JSRQGNBESA-N 1 1 347.459 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](O)C(C)C ZINC000997770476 743800439 /nfs/dbraw/zinc/80/04/39/743800439.db2.gz YFTSGALZNUDBHI-JSRQGNBESA-N 1 1 347.459 0.349 20 30 ECEDMO C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC000997984328 743917104 /nfs/dbraw/zinc/91/71/04/743917104.db2.gz SGKUKMPJNBUFJV-ZSEWYUTFSA-N 1 1 345.403 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C)c2cncnc2)C1 ZINC000998117346 743986583 /nfs/dbraw/zinc/98/65/83/743986583.db2.gz SVDRUHZYQVHUCF-BBRMVZONSA-N 1 1 341.415 0.005 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C)c2cncnc2)C1 ZINC000998117346 743986586 /nfs/dbraw/zinc/98/65/86/743986586.db2.gz SVDRUHZYQVHUCF-BBRMVZONSA-N 1 1 341.415 0.005 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000998134012 743998040 /nfs/dbraw/zinc/99/80/40/743998040.db2.gz HWZDYPNTGQSCJQ-KGLIPLIRSA-N 1 1 336.436 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000998142924 744002176 /nfs/dbraw/zinc/00/21/76/744002176.db2.gz NXYWOMXLULYYMH-CQSZACIVSA-N 1 1 346.431 0.034 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000998153644 744010828 /nfs/dbraw/zinc/01/08/28/744010828.db2.gz GUEWDQSFYGDXIZ-FVRSWCFKSA-N 1 1 348.447 0.864 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)cc1 ZINC001078243470 782546256 /nfs/dbraw/zinc/54/62/56/782546256.db2.gz MTEMPUZEMJCOAZ-KBRIMQKVSA-N 1 1 334.416 0.336 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982291235 751886531 /nfs/dbraw/zinc/88/65/31/751886531.db2.gz KXZWDAXXXZGUSL-ZMYBRWDISA-N 1 1 345.443 0.718 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC000976581370 744106986 /nfs/dbraw/zinc/10/69/86/744106986.db2.gz GFDOLCHTEWSKNK-GJGATLCTSA-N 1 1 341.455 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(OC)o2)C1 ZINC000998328839 744119833 /nfs/dbraw/zinc/11/98/33/744119833.db2.gz SNLOVHLQNOZACF-ZDUSSCGKSA-N 1 1 331.372 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(OC)o2)C1 ZINC000998328839 744119837 /nfs/dbraw/zinc/11/98/37/744119837.db2.gz SNLOVHLQNOZACF-ZDUSSCGKSA-N 1 1 331.372 0.326 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000976600858 744125799 /nfs/dbraw/zinc/12/57/99/744125799.db2.gz OBFVGRJNRDJMOA-PMQCXYRDSA-N 1 1 347.459 0.491 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cn(C)nn3)C2)C1=O ZINC001027396847 744159297 /nfs/dbraw/zinc/15/92/97/744159297.db2.gz JWXLMONJUCFKRU-ZFWWWQNUSA-N 1 1 346.435 0.138 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](OC)C(C)C)C[C@H]21 ZINC000976737263 744263079 /nfs/dbraw/zinc/26/30/79/744263079.db2.gz RYRFMKPOFGRUIT-NNXHMXCWSA-N 1 1 347.459 0.328 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](OC)C(C)C)C[C@H]21 ZINC000976737263 744263082 /nfs/dbraw/zinc/26/30/82/744263082.db2.gz RYRFMKPOFGRUIT-NNXHMXCWSA-N 1 1 347.459 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C)n[nH]3)C[C@H]21 ZINC000976738485 744264603 /nfs/dbraw/zinc/26/46/03/744264603.db2.gz DTPPZZMCUYFGCV-LQKXBSAESA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C)n[nH]3)C[C@H]21 ZINC000976738485 744264606 /nfs/dbraw/zinc/26/46/06/744264606.db2.gz DTPPZZMCUYFGCV-LQKXBSAESA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cncs3)C[C@H]21 ZINC000976743026 744278879 /nfs/dbraw/zinc/27/88/79/744278879.db2.gz VKGLSFDMXPNRJD-SFDCQRBFSA-N 1 1 344.440 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cncs3)C[C@H]21 ZINC000976743026 744278884 /nfs/dbraw/zinc/27/88/84/744278884.db2.gz VKGLSFDMXPNRJD-SFDCQRBFSA-N 1 1 344.440 0.427 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000998954847 744426528 /nfs/dbraw/zinc/42/65/28/744426528.db2.gz GDQYGURVFXHAHQ-CYBMUJFWSA-N 1 1 342.407 0.848 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000998962733 744433427 /nfs/dbraw/zinc/43/34/27/744433427.db2.gz UJMIYSVZYBRKTA-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C ZINC000998963437 744433610 /nfs/dbraw/zinc/43/36/10/744433610.db2.gz XRENORXLZKTPDW-ZYHUDNBSSA-N 1 1 328.380 0.365 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2ccn(C)n2)C1 ZINC001027446559 744486581 /nfs/dbraw/zinc/48/65/81/744486581.db2.gz NNHPNYYIKBAFRY-MSOLQXFVSA-N 1 1 343.475 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2ccn(C)n2)C1 ZINC001027446559 744486583 /nfs/dbraw/zinc/48/65/83/744486583.db2.gz NNHPNYYIKBAFRY-MSOLQXFVSA-N 1 1 343.475 0.941 20 30 ECEDMO C=C1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000999112359 744518618 /nfs/dbraw/zinc/51/86/18/744518618.db2.gz FLQGKFCETTXZQS-IAGOWNOFSA-N 1 1 347.459 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2csnn2)C1 ZINC000999390727 744671243 /nfs/dbraw/zinc/67/12/43/744671243.db2.gz HDLZYCKKEFQCEW-ZFWWWQNUSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2csnn2)C1 ZINC000999390727 744671246 /nfs/dbraw/zinc/67/12/46/744671246.db2.gz HDLZYCKKEFQCEW-ZFWWWQNUSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ncc(C)cn2)C1 ZINC000999393638 744672687 /nfs/dbraw/zinc/67/26/87/744672687.db2.gz XMRXPGTXVLGQKF-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ncc(C)cn2)C1 ZINC000999393638 744672691 /nfs/dbraw/zinc/67/26/91/744672691.db2.gz XMRXPGTXVLGQKF-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC)CC1(C)C ZINC000977273781 744828779 /nfs/dbraw/zinc/82/87/79/744828779.db2.gz PKEXLJVMXIDYLK-LZWOXQAQSA-N 1 1 337.464 0.930 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC)CC1(C)C ZINC000977273781 744828782 /nfs/dbraw/zinc/82/87/82/744828782.db2.gz PKEXLJVMXIDYLK-LZWOXQAQSA-N 1 1 337.464 0.930 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977301743 744846364 /nfs/dbraw/zinc/84/63/64/744846364.db2.gz IRWIQPBGOUBVKG-KBPBESRZSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977301743 744846365 /nfs/dbraw/zinc/84/63/65/744846365.db2.gz IRWIQPBGOUBVKG-KBPBESRZSA-N 1 1 348.451 0.558 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1C ZINC001088565163 751955135 /nfs/dbraw/zinc/95/51/35/751955135.db2.gz FWPOETMKUSXEMG-IPYPFGDCSA-N 1 1 329.404 0.365 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001027515185 744921088 /nfs/dbraw/zinc/92/10/88/744921088.db2.gz WGNMSBHXMNSLMY-AWEZNQCLSA-N 1 1 327.388 0.052 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccnn3C)C2)C1=O ZINC001006901711 751958335 /nfs/dbraw/zinc/95/83/35/751958335.db2.gz XNHNTIIDKWBBAE-UKRRQHHQSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnn3C)C2)C1=O ZINC001006901711 751958339 /nfs/dbraw/zinc/95/83/39/751958339.db2.gz XNHNTIIDKWBBAE-UKRRQHHQSA-N 1 1 331.420 0.401 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C)n[nH]1 ZINC000977432442 744990817 /nfs/dbraw/zinc/99/08/17/744990817.db2.gz TZZRRXAWOZLKOR-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C)n[nH]1 ZINC000977432442 744990820 /nfs/dbraw/zinc/99/08/20/744990820.db2.gz TZZRRXAWOZLKOR-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C)[nH]n1 ZINC000977432442 744990823 /nfs/dbraw/zinc/99/08/23/744990823.db2.gz TZZRRXAWOZLKOR-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C)[nH]n1 ZINC000977432442 744990826 /nfs/dbraw/zinc/99/08/26/744990826.db2.gz TZZRRXAWOZLKOR-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3COCCN3CC)C[C@@]2(C)C1 ZINC000982322429 751962776 /nfs/dbraw/zinc/96/27/76/751962776.db2.gz VTSAMERHXCJXSC-YTQUADARSA-N 1 1 333.476 0.901 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cnn(C)c3)C2)C1=O ZINC001006906862 751964402 /nfs/dbraw/zinc/96/44/02/751964402.db2.gz PNSHDFYPXITXIJ-HOTGVXAUSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3cnn(C)c3)C2)C1=O ZINC001006906862 751964408 /nfs/dbraw/zinc/96/44/08/751964408.db2.gz PNSHDFYPXITXIJ-HOTGVXAUSA-N 1 1 345.447 0.330 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000999903639 745040703 /nfs/dbraw/zinc/04/07/03/745040703.db2.gz FSXGMQXABWPXON-UHFFFAOYSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000977462648 745046153 /nfs/dbraw/zinc/04/61/53/745046153.db2.gz DJLOJLNQKLSCBJ-SNVBAGLBSA-N 1 1 336.392 0.913 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncnc3C)nn2)C1 ZINC000999954196 745093090 /nfs/dbraw/zinc/09/30/90/745093090.db2.gz FXXFHARMCHZAFH-AWEZNQCLSA-N 1 1 327.392 0.739 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnns3)nn2)C1 ZINC000999954830 745093982 /nfs/dbraw/zinc/09/39/82/745093982.db2.gz HJIMGYCTLDTSMS-GFCCVEGCSA-N 1 1 333.421 0.883 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCOC3)nn2)C1 ZINC000999957552 745097911 /nfs/dbraw/zinc/09/79/11/745097911.db2.gz VYWNHFOYUMOCMG-GOEBONIOSA-N 1 1 331.420 0.591 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)nn3C)nn2)C1 ZINC000999960187 745102316 /nfs/dbraw/zinc/10/23/16/745102316.db2.gz CMOONHMVDLTAFB-CQSZACIVSA-N 1 1 329.408 0.683 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)nc3C)nn2)C1 ZINC000999961112 745103067 /nfs/dbraw/zinc/10/30/67/745103067.db2.gz GZMLJUKCWUQZDZ-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(F)nc3)nn2)C1 ZINC000999961713 745103726 /nfs/dbraw/zinc/10/37/26/745103726.db2.gz IVYCYGHFMXBCKM-CQSZACIVSA-N 1 1 328.351 0.622 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)C(C)(C)C1 ZINC000977480172 745105320 /nfs/dbraw/zinc/10/53/20/745105320.db2.gz YSOLCLSQYIKMDW-CQSZACIVSA-N 1 1 326.404 0.884 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncoc3CC)nn2)C1 ZINC000999964243 745108439 /nfs/dbraw/zinc/10/84/39/745108439.db2.gz WXDNEPPKNKSTEL-CYBMUJFWSA-N 1 1 328.376 0.639 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cscn3)nn2)C1 ZINC000999964238 745108794 /nfs/dbraw/zinc/10/87/94/745108794.db2.gz WQZKRLBNJHAZEU-ZDUSSCGKSA-N 1 1 330.417 0.935 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001059198507 745116880 /nfs/dbraw/zinc/11/68/80/745116880.db2.gz UQOUGCJPIXVLQO-AWEZNQCLSA-N 1 1 340.493 0.940 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC000999977925 745127150 /nfs/dbraw/zinc/12/71/50/745127150.db2.gz COTKCLKVHCVTIH-BXUZGUMPSA-N 1 1 343.391 0.035 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CC(OCC)C3)nn2)C1 ZINC000999980014 745130372 /nfs/dbraw/zinc/13/03/72/745130372.db2.gz BDLXAEKCNKFNMF-WIHSUSGWSA-N 1 1 345.447 0.980 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnn3CC)nn2)C1 ZINC000999980951 745131851 /nfs/dbraw/zinc/13/18/51/745131851.db2.gz PNEJXWACTTUXFK-HNNXBMFYSA-N 1 1 341.419 0.695 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CCC(O)CC3)nn2)C1 ZINC000999983795 745136057 /nfs/dbraw/zinc/13/60/57/745136057.db2.gz KLQUIRDDCPQHQD-OGVSOVDVSA-N 1 1 333.436 0.878 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc4n(n3)CCC4)nn2)C1 ZINC000999991923 745149224 /nfs/dbraw/zinc/14/92/24/745149224.db2.gz MRKRXZUCMAINFR-HNNXBMFYSA-N 1 1 339.403 0.231 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCCO[C@H]3C)nn2)C1 ZINC000999997067 745157649 /nfs/dbraw/zinc/15/76/49/745157649.db2.gz LXTJBEATHVFKNL-IMJJTQAJSA-N 1 1 349.435 0.521 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(OCC)n[nH]3)nn2)C1 ZINC000999997439 745157795 /nfs/dbraw/zinc/15/77/95/745157795.db2.gz MFRPAWNAPQXHLI-CYBMUJFWSA-N 1 1 345.407 0.763 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001000001173 745163763 /nfs/dbraw/zinc/16/37/63/745163763.db2.gz BWMDDNCMCQBTHA-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3csc(=O)[nH]3)nn2)C1 ZINC001000017038 745187388 /nfs/dbraw/zinc/18/73/88/745187388.db2.gz VDCJCMSWXIOWGD-GFCCVEGCSA-N 1 1 346.416 0.640 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3CC)nn2)C1 ZINC001000019738 745189483 /nfs/dbraw/zinc/18/94/83/745189483.db2.gz VXCAMPINZRVDIH-XHSDSOJGSA-N 1 1 331.420 0.589 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(=O)cc3C)nn2)C1 ZINC001000024634 745195154 /nfs/dbraw/zinc/19/51/54/745195154.db2.gz KRGTZIGUASLOKS-AWEZNQCLSA-N 1 1 340.387 0.497 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001075770772 745201397 /nfs/dbraw/zinc/20/13/97/745201397.db2.gz LJBHPXCGOWHQOK-GVDBMIGSSA-N 1 1 328.416 0.190 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccn4ccnc34)nn2)C1 ZINC001000032125 745205993 /nfs/dbraw/zinc/20/59/93/745205993.db2.gz PUCXHLVXGCGBEO-OAHLLOKOSA-N 1 1 349.398 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3conc3COC)nn2)C1 ZINC001000035882 745211913 /nfs/dbraw/zinc/21/19/13/745211913.db2.gz QKHCXPKIRTVAJD-CYBMUJFWSA-N 1 1 344.375 0.223 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(CC)c3C)nn2)C1 ZINC001000035978 745212581 /nfs/dbraw/zinc/21/25/81/745212581.db2.gz NFIQOKMBJWQPJW-OAHLLOKOSA-N 1 1 341.419 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C#C)nc3)nn2)C1 ZINC001000036542 745213603 /nfs/dbraw/zinc/21/36/03/745213603.db2.gz UWBFGGCTRCODIZ-KRWDZBQOSA-N 1 1 334.383 0.464 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(CCC)nn3)nn2)C1 ZINC001000038329 745216914 /nfs/dbraw/zinc/21/69/14/745216914.db2.gz VRIQHACSAMGTIY-AWEZNQCLSA-N 1 1 344.423 0.642 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC(=O)N(C)C3)nn2)C1 ZINC001000042445 745221991 /nfs/dbraw/zinc/22/19/91/745221991.db2.gz MBWYOBRFKVDXSF-DZGCQCFKSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]nc4ccccc43)nn2)C1 ZINC001000043189 745223629 /nfs/dbraw/zinc/22/36/29/745223629.db2.gz IOJVNCRDVZGAGU-AWEZNQCLSA-N 1 1 349.398 0.964 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC000977595273 745231011 /nfs/dbraw/zinc/23/10/11/745231011.db2.gz BKTWGLJSFOMGGL-CQSZACIVSA-N 1 1 340.387 0.764 20 30 ECEDMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)NC1CCOCC1 ZINC001075774530 745247596 /nfs/dbraw/zinc/24/75/96/745247596.db2.gz FHHKCNMIVLBKQH-DOTOQJQBSA-N 1 1 345.443 0.228 20 30 ECEDMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1)NC1CCOCC1 ZINC001075774530 745247599 /nfs/dbraw/zinc/24/75/99/745247599.db2.gz FHHKCNMIVLBKQH-DOTOQJQBSA-N 1 1 345.443 0.228 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)COC[C@H]3CCCO3)C2)nn1 ZINC001105384718 745257986 /nfs/dbraw/zinc/25/79/86/745257986.db2.gz NDZOIGPGKGDZQV-OAHLLOKOSA-N 1 1 335.408 0.133 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(C4CC4)o3)C2)nn1 ZINC001020700111 751989268 /nfs/dbraw/zinc/98/92/68/751989268.db2.gz JASFIXHHCBJYCP-HAQNSBGRSA-N 1 1 343.391 0.775 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001059235336 745300613 /nfs/dbraw/zinc/30/06/13/745300613.db2.gz UNHTZPARBXZUGW-ZOBUZTSGSA-N 1 1 343.431 0.463 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001059235336 745300618 /nfs/dbraw/zinc/30/06/18/745300618.db2.gz UNHTZPARBXZUGW-ZOBUZTSGSA-N 1 1 343.431 0.463 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C(C)(C)C1 ZINC000977621473 745307574 /nfs/dbraw/zinc/30/75/74/745307574.db2.gz BYMQEXFGQDIRCD-DLBZAZTESA-N 1 1 333.476 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)Cn3ccnc3)C(C)(C)C2)C1=O ZINC000977646730 745332271 /nfs/dbraw/zinc/33/22/71/745332271.db2.gz NFIQXNCMXJFIRG-GJZGRUSLSA-N 1 1 345.447 0.497 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001029244339 745427101 /nfs/dbraw/zinc/42/71/01/745427101.db2.gz DADLJBGJDKWAOI-ARLBYUKCSA-N 1 1 330.432 0.975 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977732917 745429062 /nfs/dbraw/zinc/42/90/62/745429062.db2.gz LKKHMKHPMHXDOH-JSGCOSHPSA-N 1 1 329.404 0.511 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)c1 ZINC001029260437 745464592 /nfs/dbraw/zinc/46/45/92/745464592.db2.gz ODDJIWQGCZGKIU-GUTXKFCHSA-N 1 1 327.388 0.454 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3ccon3)CC2)C1=O ZINC001000480202 745534601 /nfs/dbraw/zinc/53/46/01/745534601.db2.gz FUIXCHHGPPHFNG-OAHLLOKOSA-N 1 1 330.388 0.823 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc[nH]c1 ZINC000977837609 745573780 /nfs/dbraw/zinc/57/37/80/745573780.db2.gz RHSYFPFEXZMTOL-HOTGVXAUSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc[nH]c1 ZINC000977837609 745573783 /nfs/dbraw/zinc/57/37/83/745573783.db2.gz RHSYFPFEXZMTOL-HOTGVXAUSA-N 1 1 328.416 0.785 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)c1 ZINC001027568370 745592887 /nfs/dbraw/zinc/59/28/87/745592887.db2.gz GJBHRNDTNFUCAN-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cccn4C)[C@@H]3C2)C1=O ZINC000977863111 745595150 /nfs/dbraw/zinc/59/51/50/745595150.db2.gz LRCPAVRERMWPCK-MPTYRVRUSA-N 1 1 342.443 0.720 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC001000594212 745623164 /nfs/dbraw/zinc/62/31/64/745623164.db2.gz NDRDIGYPCQEGJL-INIZCTEOSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1n[nH]cc1C ZINC000977919369 745647191 /nfs/dbraw/zinc/64/71/91/745647191.db2.gz MZTRPHJUWBNHEM-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1n[nH]cc1C ZINC000977919369 745647197 /nfs/dbraw/zinc/64/71/97/745647197.db2.gz MZTRPHJUWBNHEM-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ncccc1C#N ZINC001126518345 745658441 /nfs/dbraw/zinc/65/84/41/745658441.db2.gz UCPDEWCHYOHUKB-OAHLLOKOSA-N 1 1 345.447 0.864 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCCN(C)C2=O)cn1 ZINC001028270478 752023601 /nfs/dbraw/zinc/02/36/01/752023601.db2.gz KUCOTNMWUSUZDV-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977952003 745706838 /nfs/dbraw/zinc/70/68/38/745706838.db2.gz HCMFLIKJUDUUTJ-ZSOGYDGISA-N 1 1 325.376 0.123 20 30 ECEDMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977952003 745706842 /nfs/dbraw/zinc/70/68/42/745706842.db2.gz HCMFLIKJUDUUTJ-ZSOGYDGISA-N 1 1 325.376 0.123 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1ncccc1C#N ZINC001126522898 745712884 /nfs/dbraw/zinc/71/28/84/745712884.db2.gz FUAUVOLNJVSHHI-ZBFHGGJFSA-N 1 1 345.447 0.720 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)c1 ZINC000977963561 745723883 /nfs/dbraw/zinc/72/38/83/745723883.db2.gz ZSLLGCAGJXMXJA-WCXIOVBPSA-N 1 1 338.411 0.631 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccncc1C#N ZINC001126523724 745729884 /nfs/dbraw/zinc/72/98/84/745729884.db2.gz OQQWJJPVDYXASI-GOEBONIOSA-N 1 1 345.447 0.720 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCCN3C)C2)C1=O ZINC000984047150 745734028 /nfs/dbraw/zinc/73/40/28/745734028.db2.gz HNOMGZNYDPQPPA-LUKYLMHMSA-N 1 1 348.491 0.742 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977975393 745734363 /nfs/dbraw/zinc/73/43/63/745734363.db2.gz JHCNVYASMFPKRU-DOERSZECSA-N 1 1 329.404 0.271 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N(C)C ZINC001028271106 752028790 /nfs/dbraw/zinc/02/87/90/752028790.db2.gz YSBVJQRMDYDAIH-CQSZACIVSA-N 1 1 344.415 0.376 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC001028271106 752028795 /nfs/dbraw/zinc/02/87/95/752028795.db2.gz YSBVJQRMDYDAIH-CQSZACIVSA-N 1 1 344.415 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ncccn1 ZINC001029342305 745758327 /nfs/dbraw/zinc/75/83/27/745758327.db2.gz IXBYIUSAHYZMSC-BBWFWOEESA-N 1 1 339.443 0.749 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ncccn1 ZINC001029342305 745758332 /nfs/dbraw/zinc/75/83/32/745758332.db2.gz IXBYIUSAHYZMSC-BBWFWOEESA-N 1 1 339.443 0.749 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O)n1cncn1 ZINC001083415967 745761012 /nfs/dbraw/zinc/76/10/12/745761012.db2.gz JOFMHEBWHYEJQT-MAZHCROVSA-N 1 1 340.387 0.072 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O)n1cncn1 ZINC001083415967 745761014 /nfs/dbraw/zinc/76/10/14/745761014.db2.gz JOFMHEBWHYEJQT-MAZHCROVSA-N 1 1 340.387 0.072 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCN2c2ncccn2)CC1 ZINC001000789758 745766251 /nfs/dbraw/zinc/76/62/51/745766251.db2.gz DAKRNCYDZOTOHA-MRXNPFEDSA-N 1 1 325.416 0.827 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)N(C)C)cn1 ZINC001028271146 752039736 /nfs/dbraw/zinc/03/97/36/752039736.db2.gz ZRXXLUWIQPWQGV-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(C)C)cn1 ZINC001028271146 752039737 /nfs/dbraw/zinc/03/97/37/752039737.db2.gz ZRXXLUWIQPWQGV-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000978100993 745897029 /nfs/dbraw/zinc/89/70/29/745897029.db2.gz YTEPYKVAMKPQMT-NVXWUHKLSA-N 1 1 340.427 0.688 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)[C@@H]2C1 ZINC000978178715 745997537 /nfs/dbraw/zinc/99/75/37/745997537.db2.gz LIAXCQSQRMOAMS-JTDRMQGGSA-N 1 1 325.840 0.948 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sc(CC)nc1C ZINC001114960372 746006930 /nfs/dbraw/zinc/00/69/30/746006930.db2.gz SEHBZPWTCIPDHO-JYAVWHMHSA-N 1 1 346.456 0.423 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sc(CC)nc1C ZINC001114960372 746006936 /nfs/dbraw/zinc/00/69/36/746006936.db2.gz SEHBZPWTCIPDHO-JYAVWHMHSA-N 1 1 346.456 0.423 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028450 752053418 /nfs/dbraw/zinc/05/34/18/752053418.db2.gz IYWUCYSCCRLSES-HOCLYGCPSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028450 752053424 /nfs/dbraw/zinc/05/34/24/752053424.db2.gz IYWUCYSCCRLSES-HOCLYGCPSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncn(C)n3)[C@H]2CC)C1=O ZINC001087563588 746042591 /nfs/dbraw/zinc/04/25/91/746042591.db2.gz DYZIETRJCCJYAD-MJBXVCDLSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncn(C)n3)[C@H]2CC)C1=O ZINC001087563588 746042596 /nfs/dbraw/zinc/04/25/96/746042596.db2.gz DYZIETRJCCJYAD-MJBXVCDLSA-N 1 1 346.435 0.185 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000978235289 746069686 /nfs/dbraw/zinc/06/96/86/746069686.db2.gz NIVLKKXDFHBTHP-DLBZAZTESA-N 1 1 347.459 0.568 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087571951 746079337 /nfs/dbraw/zinc/07/93/37/746079337.db2.gz UKJUQGCFGLSBIH-DLBZAZTESA-N 1 1 338.415 0.694 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001027600529 746089064 /nfs/dbraw/zinc/08/90/64/746089064.db2.gz GKIBBDUGBCLUQL-CYBMUJFWSA-N 1 1 334.420 0.197 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1 ZINC000978241503 746099453 /nfs/dbraw/zinc/09/94/53/746099453.db2.gz ISECLLCUJVDJRF-OSYLJGHBSA-N 1 1 341.411 0.482 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]([N@H+](C)[C@H](CC)C(N)=O)C2)nn1 ZINC001027609682 746181924 /nfs/dbraw/zinc/18/19/24/746181924.db2.gz CZOSUDCARNEJHV-DZGCQCFKSA-N 1 1 348.451 0.655 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)nn1 ZINC001027609683 746182233 /nfs/dbraw/zinc/18/22/33/746182233.db2.gz CZOSUDCARNEJHV-HIFRSBDPSA-N 1 1 348.451 0.655 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001027611360 746226957 /nfs/dbraw/zinc/22/69/57/746226957.db2.gz UHHKRUCVGXBFKQ-HNNXBMFYSA-N 1 1 348.451 0.678 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]n3)[C@@H]2C1 ZINC000978379767 746249996 /nfs/dbraw/zinc/24/99/96/746249996.db2.gz WKZCNNWAHVWEHR-OWUUHHOZSA-N 1 1 326.198 0.621 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn[nH]3)[C@@H]2C1 ZINC000978379767 746250000 /nfs/dbraw/zinc/25/00/00/746250000.db2.gz WKZCNNWAHVWEHR-OWUUHHOZSA-N 1 1 326.198 0.621 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn[nH]3)[C@@H]2C1 ZINC000978379767 746250003 /nfs/dbraw/zinc/25/00/03/746250003.db2.gz WKZCNNWAHVWEHR-OWUUHHOZSA-N 1 1 326.198 0.621 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H]1CC ZINC001087728063 746253025 /nfs/dbraw/zinc/25/30/25/746253025.db2.gz AMWIWYILVZMAFA-UONOGXRCSA-N 1 1 330.432 0.739 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027615876 746258319 /nfs/dbraw/zinc/25/83/19/746258319.db2.gz BFBTWSMRGHBNAB-GFCCVEGCSA-N 1 1 327.812 0.715 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027615876 746258321 /nfs/dbraw/zinc/25/83/21/746258321.db2.gz BFBTWSMRGHBNAB-GFCCVEGCSA-N 1 1 327.812 0.715 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3c[nH]cn3)[C@H]2CC)C1=O ZINC001087741757 746264523 /nfs/dbraw/zinc/26/45/23/746264523.db2.gz YXIJUXYRRWCOLM-XHSDSOJGSA-N 1 1 345.447 0.708 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001001351424 746299874 /nfs/dbraw/zinc/29/98/74/746299874.db2.gz HXNARKCCLQNFIZ-VVLHAWIVSA-N 1 1 329.444 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001001351424 746299877 /nfs/dbraw/zinc/29/98/77/746299877.db2.gz HXNARKCCLQNFIZ-VVLHAWIVSA-N 1 1 329.444 0.705 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001358232 746305236 /nfs/dbraw/zinc/30/52/36/746305236.db2.gz WSXRXHCJWCXRCP-INIZCTEOSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncccn3)[C@H]2CC)C1=O ZINC001087770577 746309218 /nfs/dbraw/zinc/30/92/18/746309218.db2.gz LYMZSOKGZWJFFR-ZNMIVQPWSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncccn3)[C@H]2CC)C1=O ZINC001087770577 746309224 /nfs/dbraw/zinc/30/92/24/746309224.db2.gz LYMZSOKGZWJFFR-ZNMIVQPWSA-N 1 1 343.431 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2cocn2)C1 ZINC000984342451 746311467 /nfs/dbraw/zinc/31/14/67/746311467.db2.gz DWVDGJIIHRUPFZ-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2cocn2)C1 ZINC000984342451 746311469 /nfs/dbraw/zinc/31/14/69/746311469.db2.gz DWVDGJIIHRUPFZ-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CC(F)(F)C2)C1 ZINC001001380263 746327229 /nfs/dbraw/zinc/32/72/29/746327229.db2.gz MOBOLDPHINMNBL-AWEZNQCLSA-N 1 1 339.386 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CC(F)(F)C2)C1 ZINC001001380263 746327236 /nfs/dbraw/zinc/32/72/36/746327236.db2.gz MOBOLDPHINMNBL-AWEZNQCLSA-N 1 1 339.386 0.704 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2CC)cn1 ZINC001087802992 746364480 /nfs/dbraw/zinc/36/44/80/746364480.db2.gz WFLOVDVZZNWLSQ-DLBZAZTESA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2CC)cn1 ZINC001087802992 746364485 /nfs/dbraw/zinc/36/44/85/746364485.db2.gz WFLOVDVZZNWLSQ-DLBZAZTESA-N 1 1 340.427 0.924 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)s1 ZINC001041986815 782551877 /nfs/dbraw/zinc/55/18/77/782551877.db2.gz TUNQXJURQDQKMY-FZMZJTMJSA-N 1 1 332.429 0.918 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001461723 746402238 /nfs/dbraw/zinc/40/22/38/746402238.db2.gz AAQBJOYETNBGQR-HNNXBMFYSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]nc4C)[C@@H]3C2)C1=O ZINC000978547504 746415338 /nfs/dbraw/zinc/41/53/38/746415338.db2.gz HCICWWVZJQOMAK-LVQVYYBASA-N 1 1 343.431 0.413 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001027640698 746465278 /nfs/dbraw/zinc/46/52/78/746465278.db2.gz CRLLQKRWABCARK-OAHLLOKOSA-N 1 1 347.463 0.880 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[C@@H]1CCNC1=O ZINC000978588306 746476449 /nfs/dbraw/zinc/47/64/49/746476449.db2.gz XDMCQYPDNIMHRZ-TVFCKZIOSA-N 1 1 337.423 0.468 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](CC)OCC ZINC001075825036 746566372 /nfs/dbraw/zinc/56/63/72/746566372.db2.gz AATBLUINYLOIPD-HRCADAONSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](CC)OCC ZINC001075825036 746566373 /nfs/dbraw/zinc/56/63/73/746566373.db2.gz AATBLUINYLOIPD-HRCADAONSA-N 1 1 337.464 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001007117570 752103970 /nfs/dbraw/zinc/10/39/70/752103970.db2.gz ROHWNUHVCLJTFO-IAGOWNOFSA-N 1 1 342.443 0.992 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001007117570 752103973 /nfs/dbraw/zinc/10/39/73/752103973.db2.gz ROHWNUHVCLJTFO-IAGOWNOFSA-N 1 1 342.443 0.992 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)c1 ZINC000978712459 746614894 /nfs/dbraw/zinc/61/48/94/746614894.db2.gz ONRKJFQYTADDBU-OSMBCOQSSA-N 1 1 340.427 0.447 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001098518364 752110224 /nfs/dbraw/zinc/11/02/24/752110224.db2.gz MNSRLDNGKYTAJD-IRXDYDNUSA-N 1 1 349.475 0.313 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978731177 746644209 /nfs/dbraw/zinc/64/42/09/746644209.db2.gz IOZUZSLLPWHRPN-XBXGTLAGSA-N 1 1 340.387 0.716 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978740519 746666529 /nfs/dbraw/zinc/66/65/29/746666529.db2.gz VWEKDVDOWIEVJL-BJJXKVORSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC000978799217 746718117 /nfs/dbraw/zinc/71/81/17/746718117.db2.gz FRCWXZNHZKZVEW-RQJABVFESA-N 1 1 339.386 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC000978799217 746718121 /nfs/dbraw/zinc/71/81/21/746718121.db2.gz FRCWXZNHZKZVEW-RQJABVFESA-N 1 1 339.386 0.750 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027674731 746726317 /nfs/dbraw/zinc/72/63/17/746726317.db2.gz IHPLKWZQRBWIMP-NSHDSACASA-N 1 1 337.811 0.864 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027674731 746726320 /nfs/dbraw/zinc/72/63/20/746726320.db2.gz IHPLKWZQRBWIMP-NSHDSACASA-N 1 1 337.811 0.864 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027673592 746738575 /nfs/dbraw/zinc/73/85/75/746738575.db2.gz LZRINTYOOBMCBU-GFCCVEGCSA-N 1 1 327.812 0.811 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027673592 746738577 /nfs/dbraw/zinc/73/85/77/746738577.db2.gz LZRINTYOOBMCBU-GFCCVEGCSA-N 1 1 327.812 0.811 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CSCC#N ZINC001211886789 746749733 /nfs/dbraw/zinc/74/97/33/746749733.db2.gz ZHLBIJMQPJTKNC-ZIAGYGMSSA-N 1 1 337.449 0.035 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000978844450 746772553 /nfs/dbraw/zinc/77/25/53/746772553.db2.gz WQCOLMMPLDGPFJ-UNEWFSDZSA-N 1 1 340.427 0.639 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2C1 ZINC001087978334 746777071 /nfs/dbraw/zinc/77/70/71/746777071.db2.gz WLTZYLGUCDYMJR-KGLIPLIRSA-N 1 1 326.462 0.778 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000978872214 746805903 /nfs/dbraw/zinc/80/59/03/746805903.db2.gz WFPQNGMYLIBDAN-RJZRQDKASA-N 1 1 343.431 0.851 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc(OCC4CC4)cn3)[C@@H]2C1 ZINC000978939997 746919720 /nfs/dbraw/zinc/91/97/20/746919720.db2.gz JAMPUISHORIUAW-QKDCVEJESA-N 1 1 326.400 0.806 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001038453005 746931787 /nfs/dbraw/zinc/93/17/87/746931787.db2.gz XLSQEEBPCDGCFD-NSHDSACASA-N 1 1 327.406 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000978951531 746943794 /nfs/dbraw/zinc/94/37/94/746943794.db2.gz ACOOMGFVXHYIQD-NCOADZHNSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000978951531 746943796 /nfs/dbraw/zinc/94/37/96/746943796.db2.gz ACOOMGFVXHYIQD-NCOADZHNSA-N 1 1 347.459 0.522 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]2C1 ZINC001087995289 746959140 /nfs/dbraw/zinc/95/91/40/746959140.db2.gz DFUMPCVMRGIUDG-CVEARBPZSA-N 1 1 335.448 0.592 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(-c4nccs4)c3)[C@@H]2C1 ZINC000978962437 746960946 /nfs/dbraw/zinc/96/09/46/746960946.db2.gz OJGXYYJJSNAMOK-ZSOGYDGISA-N 1 1 327.413 0.870 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(=O)N(C)C)cc3)[C@@H]2C1 ZINC000978980224 746989739 /nfs/dbraw/zinc/98/97/39/746989739.db2.gz ZGMINGBYCPCWTC-OSYLJGHBSA-N 1 1 325.412 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cnon3)C[C@H]2C1 ZINC001087997998 746999031 /nfs/dbraw/zinc/99/90/31/746999031.db2.gz LUTOCWQOWBEXLG-VYDXJSESSA-N 1 1 343.431 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cnon3)C[C@H]2C1 ZINC001087997998 746999033 /nfs/dbraw/zinc/99/90/33/746999033.db2.gz LUTOCWQOWBEXLG-VYDXJSESSA-N 1 1 343.431 0.448 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nonc4C)C[C@H]32)nc1 ZINC000978998450 747016907 /nfs/dbraw/zinc/01/69/07/747016907.db2.gz ZKTCVEZUYNFVQJ-QKDCVEJESA-N 1 1 337.383 0.862 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nonc4C)C[C@H]32)nc1 ZINC000978998450 747016909 /nfs/dbraw/zinc/01/69/09/747016909.db2.gz ZKTCVEZUYNFVQJ-QKDCVEJESA-N 1 1 337.383 0.862 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)cn1 ZINC000979005661 747034563 /nfs/dbraw/zinc/03/45/63/747034563.db2.gz PJSJYHKHPAZFNU-VCOSZWKGSA-N 1 1 326.400 0.105 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ncc(C(=O)OC)s2)C1 ZINC000924034997 752144804 /nfs/dbraw/zinc/14/48/04/752144804.db2.gz HCVXTKQNSNZESS-NSHDSACASA-N 1 1 336.417 0.827 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ncc(C(=O)OC)s2)C1 ZINC000924034997 752144810 /nfs/dbraw/zinc/14/48/10/752144810.db2.gz HCVXTKQNSNZESS-NSHDSACASA-N 1 1 336.417 0.827 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001002169889 747049803 /nfs/dbraw/zinc/04/98/03/747049803.db2.gz NEFCMWLVRXNPBD-IRXDYDNUSA-N 1 1 329.444 0.991 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001002202591 747078786 /nfs/dbraw/zinc/07/87/86/747078786.db2.gz ZLQZPNJYFKNLDW-RDJZCZTQSA-N 1 1 346.431 0.747 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cn[nH]c1 ZINC001002208173 747085036 /nfs/dbraw/zinc/08/50/36/747085036.db2.gz QHEODXGIPMAVFS-HOTGVXAUSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cn[nH]c1 ZINC001002208173 747085042 /nfs/dbraw/zinc/08/50/42/747085042.db2.gz QHEODXGIPMAVFS-HOTGVXAUSA-N 1 1 343.431 0.570 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@@H]2C1 ZINC000979061282 747107779 /nfs/dbraw/zinc/10/77/79/747107779.db2.gz PPXWPRSIDZMOBK-XYYAHUGASA-N 1 1 329.404 0.449 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nncn4CC3)C[C@@H]2C1 ZINC001088045641 747140156 /nfs/dbraw/zinc/14/01/56/747140156.db2.gz DZRQSHKJCAAARO-XHSDSOJGSA-N 1 1 327.432 0.644 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@@H]2C1 ZINC001088050364 747146363 /nfs/dbraw/zinc/14/63/63/747146363.db2.gz CWUJPFVDIJZGQD-YCPHGPKFSA-N 1 1 341.415 0.169 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)CC1 ZINC000979084092 747150079 /nfs/dbraw/zinc/15/00/79/747150079.db2.gz DFYXOBVVLXRLPE-OWYHZJEWSA-N 1 1 345.487 0.662 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]2C1 ZINC001088051010 747156154 /nfs/dbraw/zinc/15/61/54/747156154.db2.gz HKQWFRSBPQJIOX-RSJGLCBASA-N 1 1 332.444 0.842 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@@H]2C1 ZINC001088053623 747156900 /nfs/dbraw/zinc/15/69/00/747156900.db2.gz RGVYRRSHKMJCJU-VSZNYVQBSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]2C1 ZINC001088061061 747173209 /nfs/dbraw/zinc/17/32/09/747173209.db2.gz KJDSQVNDLYWDEB-CABCVRRESA-N 1 1 330.432 0.977 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]2C1 ZINC001088060917 747173540 /nfs/dbraw/zinc/17/35/40/747173540.db2.gz CJZGNSRXMJMHCU-CVEARBPZSA-N 1 1 342.443 0.814 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCOC2)nn1 ZINC001029507634 747199659 /nfs/dbraw/zinc/19/96/59/747199659.db2.gz ULNIFWUKYJPUEN-SOUVJXGZSA-N 1 1 331.420 0.789 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4cnn(C)c4C3)C[C@@H]2C1 ZINC001088081358 747280622 /nfs/dbraw/zinc/28/06/22/747280622.db2.gz NBCCGBHDPTXHJM-UAGQMJEPSA-N 1 1 326.444 0.939 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C[C@@H]2C1 ZINC001088082787 747286887 /nfs/dbraw/zinc/28/68/87/747286887.db2.gz KYNAEGXZFYUMCZ-NEPJUHHUSA-N 1 1 325.372 0.691 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C)on2)C1=O ZINC001027742414 747323328 /nfs/dbraw/zinc/32/33/28/747323328.db2.gz PDLNKDZMVYICRZ-HIFRSBDPSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C)on2)C1=O ZINC001027742414 747323335 /nfs/dbraw/zinc/32/33/35/747323335.db2.gz PDLNKDZMVYICRZ-HIFRSBDPSA-N 1 1 332.404 0.964 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001059484463 747323780 /nfs/dbraw/zinc/32/37/80/747323780.db2.gz LRMGPNPGPPVBSJ-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001059484465 747323889 /nfs/dbraw/zinc/32/38/89/747323889.db2.gz LRMGPNPGPPVBSJ-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc[nH]1)C2 ZINC001002475923 747407020 /nfs/dbraw/zinc/40/70/20/747407020.db2.gz RGWCVUCCNJGLHQ-KBXIAJHMSA-N 1 1 341.415 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc[nH]1)C2 ZINC001002475923 747407024 /nfs/dbraw/zinc/40/70/24/747407024.db2.gz RGWCVUCCNJGLHQ-KBXIAJHMSA-N 1 1 341.415 0.369 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@@H]2C1 ZINC001088114589 747420167 /nfs/dbraw/zinc/42/01/67/747420167.db2.gz WBPPWAJGXSHNHJ-OAGGEKHMSA-N 1 1 344.463 0.982 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](CC)C(N)=O)CC[C@@H]3C2)nn1 ZINC001088133575 747461569 /nfs/dbraw/zinc/46/15/69/747461569.db2.gz PRMAUWXGMYEGKA-IPYPFGDCSA-N 1 1 346.435 0.122 20 30 ECEDMO C[C@@H]([NH2+]Cc1ccon1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979268372 747471311 /nfs/dbraw/zinc/47/13/11/747471311.db2.gz KOWGRRNACALEDU-ABAIWWIYSA-N 1 1 329.360 0.894 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(=O)N(C)C)cn1 ZINC001098244197 752186236 /nfs/dbraw/zinc/18/62/36/752186236.db2.gz AOQCOFWUAYKCDC-DXEWXGHRSA-N 1 1 340.427 0.875 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(=O)N(C)C)cn1 ZINC001098244197 752186238 /nfs/dbraw/zinc/18/62/38/752186238.db2.gz AOQCOFWUAYKCDC-DXEWXGHRSA-N 1 1 340.427 0.875 20 30 ECEDMO C[C@H]([NH2+]Cc1ncnn1C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979291594 747524886 /nfs/dbraw/zinc/52/48/86/747524886.db2.gz KKTHWEKZCUVKJR-SMDDNHRTSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979283757 747531527 /nfs/dbraw/zinc/53/15/27/747531527.db2.gz ABFVWXMQFHQUMO-NHYWBVRUSA-N 1 1 343.391 0.034 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059499245 747536642 /nfs/dbraw/zinc/53/66/42/747536642.db2.gz KNGHKKQRVGDHRF-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059499245 747536650 /nfs/dbraw/zinc/53/66/50/747536650.db2.gz KNGHKKQRVGDHRF-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccn4nnnc4c3)C[C@@]2(C)C1 ZINC000982431244 752189255 /nfs/dbraw/zinc/18/92/55/752189255.db2.gz HFOVKRUVBDHKSD-HDICACEKSA-N 1 1 338.415 0.932 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001027763105 747537651 /nfs/dbraw/zinc/53/76/51/747537651.db2.gz BFDPNVGBCTWEBN-HOCLYGCPSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001027763105 747537655 /nfs/dbraw/zinc/53/76/55/747537655.db2.gz BFDPNVGBCTWEBN-HOCLYGCPSA-N 1 1 345.447 0.953 20 30 ECEDMO C[C@H]([NH2+]Cc1ncccn1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979287151 747539244 /nfs/dbraw/zinc/53/92/44/747539244.db2.gz DGDPIMBZNBWWGA-SWLSCSKDSA-N 1 1 340.387 0.696 20 30 ECEDMO C[C@@H]([NH2+]Cc1ccon1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979295168 747558680 /nfs/dbraw/zinc/55/86/80/747558680.db2.gz QVJZODIVPFJLAA-IAQYHMDHSA-N 1 1 329.360 0.894 20 30 ECEDMO C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979295854 747560047 /nfs/dbraw/zinc/56/00/47/747560047.db2.gz SIEBBZHFVFYUBZ-YGRLFVJLSA-N 1 1 330.348 0.289 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001027776681 747596059 /nfs/dbraw/zinc/59/60/59/747596059.db2.gz WJUNXLFERTXXSR-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001027776681 747596062 /nfs/dbraw/zinc/59/60/62/747596062.db2.gz WJUNXLFERTXXSR-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001007212388 752194967 /nfs/dbraw/zinc/19/49/67/752194967.db2.gz ATDZOKJQXHJECR-JKSUJKDBSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001007212388 752194972 /nfs/dbraw/zinc/19/49/72/752194972.db2.gz ATDZOKJQXHJECR-JKSUJKDBSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cnns3)CC2)C1=O ZINC000985299551 747658108 /nfs/dbraw/zinc/65/81/08/747658108.db2.gz NBMHLYJYTINBPF-ZDUSSCGKSA-N 1 1 349.460 0.861 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088181777 747692560 /nfs/dbraw/zinc/69/25/60/747692560.db2.gz CEIZGZSIHBUPPB-IJEWVQPXSA-N 1 1 341.477 0.425 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@@H]2C1 ZINC001088187298 747704692 /nfs/dbraw/zinc/70/46/92/747704692.db2.gz PLRCJCTYIQEXFO-IXDOHACOSA-N 1 1 335.448 0.590 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@@H]2C1 ZINC001088194664 747708302 /nfs/dbraw/zinc/70/83/02/747708302.db2.gz PZDJQKIHSNNGSX-QLFBSQMISA-N 1 1 348.447 0.721 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204791 747741657 /nfs/dbraw/zinc/74/16/57/747741657.db2.gz NSINOBXYIGSNEC-RDBSUJKOSA-N 1 1 327.450 0.035 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088207720 747748257 /nfs/dbraw/zinc/74/82/57/747748257.db2.gz WGCMNXCQXDGUQV-ILXRZTDVSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001002773162 747764361 /nfs/dbraw/zinc/76/43/61/747764361.db2.gz VIAKQINEXDSELN-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001002773162 747764365 /nfs/dbraw/zinc/76/43/65/747764365.db2.gz VIAKQINEXDSELN-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001088235469 747817599 /nfs/dbraw/zinc/81/75/99/747817599.db2.gz SHLVSIZHLDJERR-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3n[nH]nc3C)CC2)C1 ZINC001088235992 747821081 /nfs/dbraw/zinc/82/10/81/747821081.db2.gz JAQGQLUEOKBKLI-HNNXBMFYSA-N 1 1 331.420 0.689 20 30 ECEDMO C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)c3[nH]nnc3C)CC2)C1 ZINC001088235992 747821087 /nfs/dbraw/zinc/82/10/87/747821087.db2.gz JAQGQLUEOKBKLI-HNNXBMFYSA-N 1 1 331.420 0.689 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3[nH]nnc3C)CC2)C1 ZINC001088235992 747821095 /nfs/dbraw/zinc/82/10/95/747821095.db2.gz JAQGQLUEOKBKLI-HNNXBMFYSA-N 1 1 331.420 0.689 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 ZINC001088237594 747845196 /nfs/dbraw/zinc/84/51/96/747845196.db2.gz YJCWCTOTRPZXTH-LPHOPBHVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC(F)(F)F)C1 ZINC001002830825 747848453 /nfs/dbraw/zinc/84/84/53/747848453.db2.gz WHJRLPMKOSUSLU-LBPRGKRZSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC(F)(F)F)C1 ZINC001002830825 747848464 /nfs/dbraw/zinc/84/84/64/747848464.db2.gz WHJRLPMKOSUSLU-LBPRGKRZSA-N 1 1 331.338 0.611 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC000988498686 752217810 /nfs/dbraw/zinc/21/78/10/752217810.db2.gz FFETYLDGTKXMAB-AAEUAGOBSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CCCOC2)C1 ZINC001002836316 747858396 /nfs/dbraw/zinc/85/83/96/747858396.db2.gz UZDGVSKBFDIUMO-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CCCOC2)C1 ZINC001002836316 747858405 /nfs/dbraw/zinc/85/84/05/747858405.db2.gz UZDGVSKBFDIUMO-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000988503915 752221276 /nfs/dbraw/zinc/22/12/76/752221276.db2.gz VQYDZURZSUQBFG-AAEUAGOBSA-N 1 1 327.392 0.891 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001088239921 747934539 /nfs/dbraw/zinc/93/45/39/747934539.db2.gz KVXULJYOUOWRHX-INIZCTEOSA-N 1 1 345.447 0.700 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC001075910058 752230158 /nfs/dbraw/zinc/23/01/58/752230158.db2.gz GKRCOMABKNOWQU-DZGCQCFKSA-N 1 1 325.368 0.797 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccon3)C2)C1=O ZINC001029663831 747997713 /nfs/dbraw/zinc/99/77/13/747997713.db2.gz JWVCUWMMIVUGCK-DZGCQCFKSA-N 1 1 332.404 0.855 20 30 ECEDMO Cc1nc(CN(C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n[nH]1 ZINC001029691000 748071589 /nfs/dbraw/zinc/07/15/89/748071589.db2.gz LPNGXNSEQDLKJA-LBPRGKRZSA-N 1 1 327.392 0.907 20 30 ECEDMO Cn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001029691705 748080826 /nfs/dbraw/zinc/08/08/26/748080826.db2.gz SJJYGSGSTVUDLD-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001029691705 748080831 /nfs/dbraw/zinc/08/08/31/748080831.db2.gz SJJYGSGSTVUDLD-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001029691119 748087134 /nfs/dbraw/zinc/08/71/34/748087134.db2.gz ATIYMCGOZLVESO-DOMZBBRYSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)CC(C)(C)O)C2)C1=O ZINC001029721586 748153927 /nfs/dbraw/zinc/15/39/27/748153927.db2.gz BLOXKCSZQOJFMY-GJZGRUSLSA-N 1 1 337.464 0.715 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001029725096 748161459 /nfs/dbraw/zinc/16/14/59/748161459.db2.gz SYPVSQHDWZCDHR-CJNGLKHVSA-N 1 1 342.399 0.947 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C[C@H]2CCNC(=O)CC2)[nH]1 ZINC001027831183 748275336 /nfs/dbraw/zinc/27/53/36/748275336.db2.gz NMRUIZHCYKNOBN-HIFRSBDPSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027831710 748287986 /nfs/dbraw/zinc/28/79/86/748287986.db2.gz UBFDKJXQIAAQKF-ZBFHGGJFSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027831710 748287990 /nfs/dbraw/zinc/28/79/90/748287990.db2.gz UBFDKJXQIAAQKF-ZBFHGGJFSA-N 1 1 341.415 0.867 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(CCOC)nn3)C[C@@H]2C1 ZINC000979724819 748291848 /nfs/dbraw/zinc/29/18/48/748291848.db2.gz QIPQQHGRZWINFN-ARFHVFGLSA-N 1 1 345.447 0.778 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccn4nnnc34)C[C@@H]2C1 ZINC000979745345 748331988 /nfs/dbraw/zinc/33/19/88/748331988.db2.gz LUFANNCWORTEPH-ZNMIVQPWSA-N 1 1 338.415 0.978 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC000979752929 748364543 /nfs/dbraw/zinc/36/45/43/748364543.db2.gz MLIPWMMIVSUAMG-IHRRRGAJSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC000979752929 748364550 /nfs/dbraw/zinc/36/45/50/748364550.db2.gz MLIPWMMIVSUAMG-IHRRRGAJSA-N 1 1 329.404 0.132 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000985523099 748397480 /nfs/dbraw/zinc/39/74/80/748397480.db2.gz MMAZEOLLGFXWOT-UHFFFAOYSA-N 1 1 340.811 0.624 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 ZINC001075857885 748414566 /nfs/dbraw/zinc/41/45/66/748414566.db2.gz KPABGQPYQVXDJL-LSDHHAIUSA-N 1 1 341.477 0.521 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cncnc2)C1=O ZINC001027838377 748425131 /nfs/dbraw/zinc/42/51/31/748425131.db2.gz AQQOVNFFVLBRFH-CABCVRRESA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cncnc2)C1=O ZINC001027838377 748425134 /nfs/dbraw/zinc/42/51/34/748425134.db2.gz AQQOVNFFVLBRFH-CABCVRRESA-N 1 1 329.404 0.458 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001029800059 748468230 /nfs/dbraw/zinc/46/82/30/748468230.db2.gz JDJPGXUKBREVLV-DLBZAZTESA-N 1 1 340.427 0.975 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029821770 748600580 /nfs/dbraw/zinc/60/05/80/748600580.db2.gz SGROKUFEBXQELY-SMDDNHRTSA-N 1 1 347.444 0.581 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001059587230 748617809 /nfs/dbraw/zinc/61/78/09/748617809.db2.gz MBTHBIMBBNOAQE-LZWOXQAQSA-N 1 1 329.404 0.073 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001059587230 748617814 /nfs/dbraw/zinc/61/78/14/748617814.db2.gz MBTHBIMBBNOAQE-LZWOXQAQSA-N 1 1 329.404 0.073 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 ZINC000979979665 748756970 /nfs/dbraw/zinc/75/69/70/748756970.db2.gz LFFAPHUZGPAZAD-BBWFWOEESA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2ccoc2)C1 ZINC000979967184 748759228 /nfs/dbraw/zinc/75/92/28/748759228.db2.gz HZMPBFNHMHJURA-ULQDDVLXSA-N 1 1 343.427 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2ccoc2)C1 ZINC000979967184 748759230 /nfs/dbraw/zinc/75/92/30/748759230.db2.gz HZMPBFNHMHJURA-ULQDDVLXSA-N 1 1 343.427 0.931 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@@H+](C)[C@H]3CCNC3=O)CC2)c1 ZINC000985637844 748774110 /nfs/dbraw/zinc/77/41/10/748774110.db2.gz NLIQGCQPQAZMIA-INIZCTEOSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccnnc3)C2)C1=O ZINC001029853242 748834688 /nfs/dbraw/zinc/83/46/88/748834688.db2.gz ORJFIDJZCKKHHD-HOCLYGCPSA-N 1 1 343.431 0.657 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)CC[N@@H+](C)CC ZINC001058817216 748882489 /nfs/dbraw/zinc/88/24/89/748882489.db2.gz BFOIOGZPAJNPIJ-HNNXBMFYSA-N 1 1 327.469 0.868 20 30 ECEDMO C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001003810283 748923354 /nfs/dbraw/zinc/92/33/54/748923354.db2.gz SGKUKMPJNBUFJV-CVMIBZJCSA-N 1 1 345.403 0.758 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000980080159 748948355 /nfs/dbraw/zinc/94/83/55/748948355.db2.gz BJFXVWQFNVBALC-JYJNAYRXSA-N 1 1 340.427 0.639 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](CN(C)Cc3n[nH]c(C)n3)C2)nn1 ZINC001029859992 748959148 /nfs/dbraw/zinc/95/91/48/748959148.db2.gz KOLGQTQBJHGECV-ZDUSSCGKSA-N 1 1 344.423 0.485 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)[C@H]3CCNC3=O)CC2)cn1 ZINC000985758071 749021976 /nfs/dbraw/zinc/02/19/76/749021976.db2.gz URXVZMPBLOBNLX-INIZCTEOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3cnnn3C)CC2)nc1 ZINC000985759644 749026963 /nfs/dbraw/zinc/02/69/63/749026963.db2.gz LBNLZHCROHLCGL-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(=O)c(OC)c[nH]3)C[C@H]2C1 ZINC000980138796 749049152 /nfs/dbraw/zinc/04/91/52/749049152.db2.gz FFNSCYBRCBPKMS-MELADBBJSA-N 1 1 329.400 0.847 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)c1 ZINC000980145657 749063871 /nfs/dbraw/zinc/06/38/71/749063871.db2.gz JAZHCMAIXJSGBV-CWRNSKLLSA-N 1 1 326.400 0.379 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn(CCOC)n3)C[C@H]2C1 ZINC000980151740 749074618 /nfs/dbraw/zinc/07/46/18/749074618.db2.gz YNMYGYMCKKJYMT-JYJNAYRXSA-N 1 1 330.432 0.993 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980186934 749139808 /nfs/dbraw/zinc/13/98/08/749139808.db2.gz QBOJNNUBXNHVHL-AXFHLTTASA-N 1 1 330.226 0.597 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C(=O)NC)nc3)C[C@@H]2C1 ZINC000980206262 749182603 /nfs/dbraw/zinc/18/26/03/749182603.db2.gz GRCNUTPVCLTQHD-XHSDSOJGSA-N 1 1 340.427 0.905 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]2C1 ZINC000980209916 749188720 /nfs/dbraw/zinc/18/87/20/749188720.db2.gz NSEZMEFSDIAAJL-BFHYXJOUSA-N 1 1 346.431 0.167 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccnc3C(N)=O)C[C@H]2C1 ZINC000980248959 749240221 /nfs/dbraw/zinc/24/02/21/749240221.db2.gz XFRWCCKHWLLWOE-MELADBBJSA-N 1 1 326.400 0.644 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]2C1 ZINC000980240875 749245524 /nfs/dbraw/zinc/24/55/24/749245524.db2.gz HBDBSALZNYEBFE-CFVMTHIKSA-N 1 1 328.416 0.967 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cncc(C(N)=O)c3)C[C@H]2C1 ZINC000980249108 749255033 /nfs/dbraw/zinc/25/50/33/749255033.db2.gz XVEVOTPDTTUJCY-VBNZEHGJSA-N 1 1 326.400 0.644 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CCN(C(N)=O)CC3)C[C@@H]2C1 ZINC000980252752 749258351 /nfs/dbraw/zinc/25/83/51/749258351.db2.gz LHLKIZJVHVQNGC-ARFHVFGLSA-N 1 1 332.448 0.627 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCCNc2ccnc(C#N)n2)C1 ZINC001114946318 749273643 /nfs/dbraw/zinc/27/36/43/749273643.db2.gz ISXKRLJDHZQGTD-KGLIPLIRSA-N 1 1 346.435 0.188 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCCNc2ccnc(C#N)n2)C1 ZINC001114946318 749273646 /nfs/dbraw/zinc/27/36/46/749273646.db2.gz ISXKRLJDHZQGTD-KGLIPLIRSA-N 1 1 346.435 0.188 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC000980293812 749317482 /nfs/dbraw/zinc/31/74/82/749317482.db2.gz LSDRCBTZYXIENC-KGLIPLIRSA-N 1 1 329.828 0.519 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC000980293812 749317484 /nfs/dbraw/zinc/31/74/84/749317484.db2.gz LSDRCBTZYXIENC-KGLIPLIRSA-N 1 1 329.828 0.519 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CCNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001059674570 749341007 /nfs/dbraw/zinc/34/10/07/749341007.db2.gz QLIKONBEDXVHBA-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO C=CCCOCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059675866 749360076 /nfs/dbraw/zinc/36/00/76/749360076.db2.gz DLLJISZYCHMSNO-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COC[C@H]3CCOC3)C2)nn1 ZINC001098739720 749426550 /nfs/dbraw/zinc/42/65/50/749426550.db2.gz IKEOONUFKCXNKD-HOCLYGCPSA-N 1 1 349.435 0.380 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCN(C)C3=O)C2)nc1 ZINC001029892496 749472160 /nfs/dbraw/zinc/47/21/60/749472160.db2.gz RQPQGDUURFDBKB-RDJZCZTQSA-N 1 1 340.427 0.688 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1 ZINC000986080570 749490411 /nfs/dbraw/zinc/49/04/11/749490411.db2.gz SAOQGXHVZXLTFI-IXDOHACOSA-N 1 1 345.443 0.037 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1 ZINC000986080570 749490416 /nfs/dbraw/zinc/49/04/16/749490416.db2.gz SAOQGXHVZXLTFI-IXDOHACOSA-N 1 1 345.443 0.037 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001004441711 749501474 /nfs/dbraw/zinc/50/14/74/749501474.db2.gz JVFLADFPDHLAHY-AWEZNQCLSA-N 1 1 346.435 0.266 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001004460658 749528526 /nfs/dbraw/zinc/52/85/26/749528526.db2.gz UEUWULDBFMLMJI-SMDDNHRTSA-N 1 1 329.404 0.272 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000980473449 749623865 /nfs/dbraw/zinc/62/38/65/749623865.db2.gz LCPGMIOVBWXZOK-ZOBUZTSGSA-N 1 1 340.427 0.639 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)n1C ZINC000986181936 749640797 /nfs/dbraw/zinc/64/07/97/749640797.db2.gz HHRWEGWYIOJDAN-DGCLKSJQSA-N 1 1 341.419 0.970 20 30 ECEDMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000980480237 749642530 /nfs/dbraw/zinc/64/25/30/749642530.db2.gz INOCEUKGVVDKEB-CMPLNLGQSA-N 1 1 328.380 0.050 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCO)CC2)nn1 ZINC001004577481 749651325 /nfs/dbraw/zinc/65/13/25/749651325.db2.gz GMICPQHAAAOMQY-INIZCTEOSA-N 1 1 333.436 0.773 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nn3C)[C@H]2C)C1=O ZINC001088484632 749653686 /nfs/dbraw/zinc/65/36/86/749653686.db2.gz QZIGGVPWYIGEHC-ILXRZTDVSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)nn3C)[C@H]2C)C1=O ZINC001088484632 749653691 /nfs/dbraw/zinc/65/36/91/749653691.db2.gz QZIGGVPWYIGEHC-ILXRZTDVSA-N 1 1 345.447 0.708 20 30 ECEDMO COCc1noc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000980573900 749800311 /nfs/dbraw/zinc/80/03/11/749800311.db2.gz FJZFCYBBEHSBSZ-TZMCWYRMSA-N 1 1 332.404 0.956 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(CCC)c2)C1 ZINC000991599237 761990400 /nfs/dbraw/zinc/99/04/00/761990400.db2.gz ZZCBWEMPYSRWLP-INIZCTEOSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(CCC)c2)C1 ZINC000991599237 761990407 /nfs/dbraw/zinc/99/04/07/761990407.db2.gz ZZCBWEMPYSRWLP-INIZCTEOSA-N 1 1 343.431 0.331 20 30 ECEDMO CN(CCCN(C)c1cnc(C#N)cn1)C(=O)CC[NH+]1CCOCC1 ZINC001112101764 762002314 /nfs/dbraw/zinc/00/23/14/762002314.db2.gz AZHNPVWLTVBQET-UHFFFAOYSA-N 1 1 346.435 0.355 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058845773 750080571 /nfs/dbraw/zinc/08/05/71/750080571.db2.gz WLPPDLTXOYWICH-MRXNPFEDSA-N 1 1 337.464 0.459 20 30 ECEDMO CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111599735 762014499 /nfs/dbraw/zinc/01/44/99/762014499.db2.gz DFNGQFSHBOESSU-BBRMVZONSA-N 1 1 338.477 0.738 20 30 ECEDMO CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111599735 762014509 /nfs/dbraw/zinc/01/45/09/762014509.db2.gz DFNGQFSHBOESSU-BBRMVZONSA-N 1 1 338.477 0.738 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]CCOC3CCC3)nn2)C1 ZINC001098634180 750260128 /nfs/dbraw/zinc/26/01/28/750260128.db2.gz PLGXCDPXPBSXKJ-HIFRSBDPSA-N 1 1 346.435 0.870 20 30 ECEDMO C=C(Br)CN1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980894252 750315550 /nfs/dbraw/zinc/31/55/50/750315550.db2.gz UYLFWSPZFYVTTI-ZDUSSCGKSA-N 1 1 346.269 0.760 20 30 ECEDMO C=C(Br)CN1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980894252 750315556 /nfs/dbraw/zinc/31/55/56/750315556.db2.gz UYLFWSPZFYVTTI-ZDUSSCGKSA-N 1 1 346.269 0.760 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC000991605142 762046401 /nfs/dbraw/zinc/04/64/01/762046401.db2.gz CYQZOEBXJHPNAX-KBPBESRZSA-N 1 1 334.420 0.482 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+][C@@H](C)c2nnc(CC)o2)nn1 ZINC001167839175 750535832 /nfs/dbraw/zinc/53/58/32/750535832.db2.gz WBTROZKNEMLYDU-NSHDSACASA-N 1 1 333.396 0.880 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001028076416 750543401 /nfs/dbraw/zinc/54/34/01/750543401.db2.gz NWCKHCXNBHDSIR-FZMZJTMJSA-N 1 1 347.444 0.724 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001028076416 750543402 /nfs/dbraw/zinc/54/34/02/750543402.db2.gz NWCKHCXNBHDSIR-FZMZJTMJSA-N 1 1 347.444 0.724 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1=O ZINC000981341227 750597834 /nfs/dbraw/zinc/59/78/34/750597834.db2.gz XRZALILFKRYGRS-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN([C@@H](C)c2nncn2C)CC1 ZINC000981364914 750627775 /nfs/dbraw/zinc/62/77/75/750627775.db2.gz APADOWGDAYZPDA-HOTGVXAUSA-N 1 1 344.463 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN([C@@H](C)c2nncn2C)CC1 ZINC000981364914 750627781 /nfs/dbraw/zinc/62/77/81/750627781.db2.gz APADOWGDAYZPDA-HOTGVXAUSA-N 1 1 344.463 0.508 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001005867388 750746187 /nfs/dbraw/zinc/74/61/87/750746187.db2.gz RPMMVWPQUBIEDB-AAEUAGOBSA-N 1 1 329.404 0.415 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001005941588 750824873 /nfs/dbraw/zinc/82/48/73/750824873.db2.gz BDEKVOYHWUWTKI-STQMWFEESA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000987533566 750946348 /nfs/dbraw/zinc/94/63/48/750946348.db2.gz XPQRFJSRLGHLGG-NFAWXSAZSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000981686571 750959019 /nfs/dbraw/zinc/95/90/19/750959019.db2.gz UBPIDNTWESPBDT-CQSZACIVSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000981686571 750959021 /nfs/dbraw/zinc/95/90/21/750959021.db2.gz UBPIDNTWESPBDT-CQSZACIVSA-N 1 1 327.856 0.994 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000987621078 751041857 /nfs/dbraw/zinc/04/18/57/751041857.db2.gz SMZIMAUIDAADPA-DYEKYZERSA-N 1 1 329.404 0.557 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001006126095 751046171 /nfs/dbraw/zinc/04/61/71/751046171.db2.gz MUKIGZKHJFIFBD-UKRRQHHQSA-N 1 1 340.427 0.591 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)s1 ZINC000981747010 751066565 /nfs/dbraw/zinc/06/65/65/751066565.db2.gz UYRPRVHKNHEHPT-CQSZACIVSA-N 1 1 332.429 0.790 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)s1 ZINC000981747010 751066572 /nfs/dbraw/zinc/06/65/72/751066572.db2.gz UYRPRVHKNHEHPT-CQSZACIVSA-N 1 1 332.429 0.790 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCCC2)c1 ZINC001028127835 751134698 /nfs/dbraw/zinc/13/46/98/751134698.db2.gz XVBARDUDZZXIHE-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)c1 ZINC001028127835 751134701 /nfs/dbraw/zinc/13/47/01/751134701.db2.gz XVBARDUDZZXIHE-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCN(C)C2=O)c1 ZINC001028130238 751154494 /nfs/dbraw/zinc/15/44/94/751154494.db2.gz ZXOMFBXMQHSSHG-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCN(C)C2=O)c1 ZINC001028130238 751154498 /nfs/dbraw/zinc/15/44/98/751154498.db2.gz ZXOMFBXMQHSSHG-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000987785481 751181008 /nfs/dbraw/zinc/18/10/08/751181008.db2.gz XOIIWSPHEOPFCY-HOCLYGCPSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000987785481 751181012 /nfs/dbraw/zinc/18/10/12/751181012.db2.gz XOIIWSPHEOPFCY-HOCLYGCPSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000987785481 751181016 /nfs/dbraw/zinc/18/10/16/751181016.db2.gz XOIIWSPHEOPFCY-HOCLYGCPSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000987785481 751181020 /nfs/dbraw/zinc/18/10/20/751181020.db2.gz XOIIWSPHEOPFCY-HOCLYGCPSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000981853930 751203570 /nfs/dbraw/zinc/20/35/70/751203570.db2.gz YMQXEJAVYJHAIE-AWEZNQCLSA-N 1 1 343.431 0.494 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3cnc4c(c3)nnn4C)C2)C1 ZINC000981899792 751255870 /nfs/dbraw/zinc/25/58/70/751255870.db2.gz OYEXFLFYWPEPBA-UHFFFAOYSA-N 1 1 338.415 0.925 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001006354878 751283256 /nfs/dbraw/zinc/28/32/56/751283256.db2.gz IXRUDTAFEZRZGB-MNOVXSKESA-N 1 1 333.392 0.473 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001006359581 751288425 /nfs/dbraw/zinc/28/84/25/751288425.db2.gz CCIMCHXWYKQKDG-OAHLLOKOSA-N 1 1 343.855 0.909 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001006377448 751312152 /nfs/dbraw/zinc/31/21/52/751312152.db2.gz NLSWWWRQSTXXKQ-UHFFFAOYSA-N 1 1 342.827 0.556 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1nc(C)ccc1C#N ZINC001126355033 752379913 /nfs/dbraw/zinc/37/99/13/752379913.db2.gz AERNAMZRISTVHN-MRXNPFEDSA-N 1 1 345.447 0.782 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001020981214 752397900 /nfs/dbraw/zinc/39/79/00/752397900.db2.gz BCNDEWCQARRJER-RCBQFDQVSA-N 1 1 338.415 0.732 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000988643334 752457182 /nfs/dbraw/zinc/45/71/82/752457182.db2.gz FBLLCMRAACBFAZ-DGCLKSJQSA-N 1 1 342.407 0.676 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3COC(=O)C3)C[C@]2(C)C1 ZINC001101195617 752476403 /nfs/dbraw/zinc/47/64/03/752476403.db2.gz YBPYQDYXMCQZTF-RKVPGOIHSA-N 1 1 336.432 0.923 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001007544524 752504665 /nfs/dbraw/zinc/50/46/65/752504665.db2.gz UAUPXAICXBLZAH-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001007544524 752504667 /nfs/dbraw/zinc/50/46/67/752504667.db2.gz UAUPXAICXBLZAH-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC001126366683 752576390 /nfs/dbraw/zinc/57/63/90/752576390.db2.gz XTZFMAUNKMOAIA-SFHVURJKSA-N 1 1 344.415 0.466 20 30 ECEDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC000982503834 752600865 /nfs/dbraw/zinc/60/08/65/752600865.db2.gz QVLZOPNBKSJEFQ-HDICACEKSA-N 1 1 344.390 0.853 20 30 ECEDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC000982503834 752600870 /nfs/dbraw/zinc/60/08/70/752600870.db2.gz QVLZOPNBKSJEFQ-HDICACEKSA-N 1 1 344.390 0.853 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ncoc3C)C2)C1=O ZINC001028431982 752625203 /nfs/dbraw/zinc/62/52/03/752625203.db2.gz WWVYHPUUTGNSAA-KGLIPLIRSA-N 1 1 332.404 0.822 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H](C)OC)[C@@H]2C1 ZINC001021186184 752631633 /nfs/dbraw/zinc/63/16/33/752631633.db2.gz TTYGUZGIJIPHFT-YHUYYLMFSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H](C)OC)[C@@H]2C1 ZINC001021186184 752631638 /nfs/dbraw/zinc/63/16/38/752631638.db2.gz TTYGUZGIJIPHFT-YHUYYLMFSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2oncc2C)[C@@H]1C ZINC000988737612 752639832 /nfs/dbraw/zinc/63/98/32/752639832.db2.gz CNVZILDGPQIGAW-ILXRZTDVSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2oncc2C)[C@@H]1C ZINC000988737612 752639835 /nfs/dbraw/zinc/63/98/35/752639835.db2.gz CNVZILDGPQIGAW-ILXRZTDVSA-N 1 1 344.415 0.800 20 30 ECEDMO N#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)[nH]1 ZINC001021232794 752683687 /nfs/dbraw/zinc/68/36/87/752683687.db2.gz HUHFFSBXJFPTSV-VYHDIPPYSA-N 1 1 327.388 0.500 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1 ZINC001021326827 752778563 /nfs/dbraw/zinc/77/85/63/752778563.db2.gz DRTDENOMSSRDNA-OFQRWUPVSA-N 1 1 341.415 0.511 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001007696838 752807923 /nfs/dbraw/zinc/80/79/23/752807923.db2.gz VMQWJJSGMHABIQ-ZDUSSCGKSA-N 1 1 327.388 0.955 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001007696838 752807935 /nfs/dbraw/zinc/80/79/35/752807935.db2.gz VMQWJJSGMHABIQ-ZDUSSCGKSA-N 1 1 327.388 0.955 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccn(C)c3)C2)C1=O ZINC001028481397 752810575 /nfs/dbraw/zinc/81/05/75/752810575.db2.gz WXUFSCNWSNOQEY-ZBFHGGJFSA-N 1 1 330.432 0.864 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)c[nH]1 ZINC001028491805 752836409 /nfs/dbraw/zinc/83/64/09/752836409.db2.gz MIUKHMJJLSJVHL-CYBMUJFWSA-N 1 1 329.404 0.560 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@H](Nc3ccnc(C#N)n3)C2)no1 ZINC001058999212 752876421 /nfs/dbraw/zinc/87/64/21/752876421.db2.gz JONWVZSSMVNBFT-NSHDSACASA-N 1 1 341.375 0.146 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001059930240 752890985 /nfs/dbraw/zinc/89/09/85/752890985.db2.gz AHBQPZABKODPJC-KGLIPLIRSA-N 1 1 328.420 0.633 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001059930643 752892997 /nfs/dbraw/zinc/89/29/97/752892997.db2.gz GPNIRCPRTBRDQH-KBPBESRZSA-N 1 1 328.420 0.633 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001059934247 752948271 /nfs/dbraw/zinc/94/82/71/752948271.db2.gz JHAVWLGFEVWLIY-KRWDZBQOSA-N 1 1 349.475 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3nccn3CC)C2)C1=O ZINC001028510401 752991851 /nfs/dbraw/zinc/99/18/51/752991851.db2.gz ASFWHRYEPMYKJE-GJZGRUSLSA-N 1 1 345.447 0.742 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028519654 753017895 /nfs/dbraw/zinc/01/78/95/753017895.db2.gz QRBUAFSMQIYVAT-XHDPSFHLSA-N 1 1 346.362 0.744 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028519654 753017900 /nfs/dbraw/zinc/01/79/00/753017900.db2.gz QRBUAFSMQIYVAT-XHDPSFHLSA-N 1 1 346.362 0.744 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cnn(CC)n3)C2)C1=O ZINC001028525107 753064040 /nfs/dbraw/zinc/06/40/40/753064040.db2.gz ZGWPKABFQBGAFO-UKRRQHHQSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001028548528 753109322 /nfs/dbraw/zinc/10/93/22/753109322.db2.gz BTZPYYYQJYWKKU-BMFZPTHFSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001028548528 753109327 /nfs/dbraw/zinc/10/93/27/753109327.db2.gz BTZPYYYQJYWKKU-BMFZPTHFSA-N 1 1 333.436 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000989066235 753203848 /nfs/dbraw/zinc/20/38/48/753203848.db2.gz RJHHBENCDONEPM-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000989066235 753203855 /nfs/dbraw/zinc/20/38/55/753203855.db2.gz RJHHBENCDONEPM-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000982647111 753206319 /nfs/dbraw/zinc/20/63/19/753206319.db2.gz HASIRGLHADOWMK-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCn3cnnn3)CC2)s1 ZINC000982659241 753233876 /nfs/dbraw/zinc/23/38/76/753233876.db2.gz JHWZMJQFFPNEGT-UHFFFAOYSA-N 1 1 345.432 0.731 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCn3cnnn3)CC2)s1 ZINC000982659241 753233880 /nfs/dbraw/zinc/23/38/80/753233880.db2.gz JHWZMJQFFPNEGT-UHFFFAOYSA-N 1 1 345.432 0.731 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc3n2CCCC3)C1 ZINC001051494904 762206088 /nfs/dbraw/zinc/20/60/88/762206088.db2.gz OZHONCXKEDUASA-STQMWFEESA-N 1 1 332.408 0.091 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000938118795 753344381 /nfs/dbraw/zinc/34/43/81/753344381.db2.gz GVRFOLWFCIEKTI-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000938118795 753344384 /nfs/dbraw/zinc/34/43/84/753344384.db2.gz GVRFOLWFCIEKTI-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001051494925 762206454 /nfs/dbraw/zinc/20/64/54/762206454.db2.gz PNKLDUWPVKJXHJ-NEPJUHHUSA-N 1 1 334.424 0.579 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1C1CC1 ZINC001051495752 762209475 /nfs/dbraw/zinc/20/94/75/762209475.db2.gz XRWCDNWGOLUUMT-BXUZGUMPSA-N 1 1 332.408 0.398 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)C1 ZINC001008170460 753412410 /nfs/dbraw/zinc/41/24/10/753412410.db2.gz KKVMCHOSPHNHHZ-DOMZBBRYSA-N 1 1 343.431 0.805 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001008180708 753431625 /nfs/dbraw/zinc/43/16/25/753431625.db2.gz BWLKNAMLIJRZLM-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000982783434 753559364 /nfs/dbraw/zinc/55/93/64/753559364.db2.gz SNEQAWALXRGBPJ-JKSUJKDBSA-N 1 1 340.427 0.593 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CNC(=O)C(C)(C)C)C2)nn1 ZINC001105371639 753561247 /nfs/dbraw/zinc/56/12/47/753561247.db2.gz SLSOLPWRIAFMCM-UHFFFAOYSA-N 1 1 348.451 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](OC)C(C)C)C1 ZINC000989278917 753562535 /nfs/dbraw/zinc/56/25/35/753562535.db2.gz UBQPDZBENIFXMD-ULQDDVLXSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](OC)C(C)C)C1 ZINC000989278917 753562539 /nfs/dbraw/zinc/56/25/39/753562539.db2.gz UBQPDZBENIFXMD-ULQDDVLXSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CN(C)C(=O)C3CC3)C2)nn1 ZINC001098680956 753604780 /nfs/dbraw/zinc/60/47/80/753604780.db2.gz MEGSQZFTQTVYDA-HNNXBMFYSA-N 1 1 346.435 0.196 20 30 ECEDMO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c1 ZINC001083359179 753670312 /nfs/dbraw/zinc/67/03/12/753670312.db2.gz SNVLLSJANXYLBU-SJORKVTESA-N 1 1 339.399 0.425 20 30 ECEDMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c1 ZINC001083359179 753670315 /nfs/dbraw/zinc/67/03/15/753670315.db2.gz SNVLLSJANXYLBU-SJORKVTESA-N 1 1 339.399 0.425 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]nc3c2CCCC3)[C@@H](O)C1 ZINC001083462974 753676667 /nfs/dbraw/zinc/67/66/67/753676667.db2.gz KHEFSZHWKUJNHM-SJORKVTESA-N 1 1 332.448 0.959 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2n[nH]c3c2CCCC3)[C@@H](O)C1 ZINC001083462974 753676670 /nfs/dbraw/zinc/67/66/70/753676670.db2.gz KHEFSZHWKUJNHM-SJORKVTESA-N 1 1 332.448 0.959 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2n[nH]c3c2CCCC3)[C@@H](O)C1 ZINC001083462974 753676674 /nfs/dbraw/zinc/67/66/74/753676674.db2.gz KHEFSZHWKUJNHM-SJORKVTESA-N 1 1 332.448 0.959 20 30 ECEDMO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001059969957 753680933 /nfs/dbraw/zinc/68/09/33/753680933.db2.gz RUMABYQSQIZAQA-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(=O)Nc3cc(C)on3)C[C@@]2(C)C1 ZINC000982798184 753756536 /nfs/dbraw/zinc/75/65/36/753756536.db2.gz KNKHBFNDQODYBD-CALCHBBNSA-N 1 1 330.388 0.725 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001098685332 753766813 /nfs/dbraw/zinc/76/68/13/753766813.db2.gz FKISEEJOYSVZNE-IRXDYDNUSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685332 753766819 /nfs/dbraw/zinc/76/68/19/753766819.db2.gz FKISEEJOYSVZNE-IRXDYDNUSA-N 1 1 344.463 0.649 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001008465681 753769514 /nfs/dbraw/zinc/76/95/14/753769514.db2.gz AAWHXHSONBQFIR-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001008465681 753769517 /nfs/dbraw/zinc/76/95/17/753769517.db2.gz AAWHXHSONBQFIR-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@@]2(C)C1 ZINC000982817857 753847030 /nfs/dbraw/zinc/84/70/30/753847030.db2.gz VTNVPSTVDWRTRN-YTQUADARSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cnsn2)C1 ZINC001028600752 753874130 /nfs/dbraw/zinc/87/41/30/753874130.db2.gz CJLURBUHGSOOFI-HIFRSBDPSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cnsn2)C1 ZINC001028600752 753874136 /nfs/dbraw/zinc/87/41/36/753874136.db2.gz CJLURBUHGSOOFI-HIFRSBDPSA-N 1 1 333.461 0.574 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001028612994 753925529 /nfs/dbraw/zinc/92/55/29/753925529.db2.gz MAPYHCCDZYZKBS-STQMWFEESA-N 1 1 347.419 0.262 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)NC(=O)NC)C2)nn1 ZINC001105376791 754053311 /nfs/dbraw/zinc/05/33/11/754053311.db2.gz GRDCKIXZOHZCMX-UHFFFAOYSA-N 1 1 349.439 0.035 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001077457684 762264542 /nfs/dbraw/zinc/26/45/42/762264542.db2.gz YMYXBFSKZMIGHF-NWANDNLSSA-N 1 1 334.420 0.275 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C[C@H]2C)nn1 ZINC000989544769 754093615 /nfs/dbraw/zinc/09/36/15/754093615.db2.gz XFIFEFKJWLJFJL-NEPJUHHUSA-N 1 1 331.380 0.630 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000982891899 754105255 /nfs/dbraw/zinc/10/52/55/754105255.db2.gz VLKUHMILMGZFGF-GXTWGEPZSA-N 1 1 333.392 0.717 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC000982922032 754204402 /nfs/dbraw/zinc/20/44/02/754204402.db2.gz JGCYGDSNAFUPHV-ZFWWWQNUSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC000982922032 754204405 /nfs/dbraw/zinc/20/44/05/754204405.db2.gz JGCYGDSNAFUPHV-ZFWWWQNUSA-N 1 1 329.404 0.086 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001008886333 754259972 /nfs/dbraw/zinc/25/99/72/754259972.db2.gz WGAUWQBJENFBOI-LVQVYYBASA-N 1 1 341.415 0.415 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028659845 754385452 /nfs/dbraw/zinc/38/54/52/754385452.db2.gz YMDAPJLDGDIAQK-GFCCVEGCSA-N 1 1 341.433 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC000983028902 754466365 /nfs/dbraw/zinc/46/63/65/754466365.db2.gz XHPBABSZIBOTDE-JSGCOSHPSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC000983028902 754466367 /nfs/dbraw/zinc/46/63/67/754466367.db2.gz XHPBABSZIBOTDE-JSGCOSHPSA-N 1 1 347.444 0.214 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000983053512 754514695 /nfs/dbraw/zinc/51/46/95/754514695.db2.gz HWZXXOPBTMVPJS-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001028675930 754593744 /nfs/dbraw/zinc/59/37/44/754593744.db2.gz IKOITPZKMGREDF-AWEZNQCLSA-N 1 1 334.420 0.518 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3ccncc3C#N)C2)C1 ZINC001060008256 754700259 /nfs/dbraw/zinc/70/02/59/754700259.db2.gz WVJBOPKHBWINAT-RHSMWYFYSA-N 1 1 343.431 0.356 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3ccncc3C#N)C2)C1 ZINC001060008256 754700265 /nfs/dbraw/zinc/70/02/65/754700265.db2.gz WVJBOPKHBWINAT-RHSMWYFYSA-N 1 1 343.431 0.356 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nccs3)C2)[nH]1 ZINC001051554205 762327060 /nfs/dbraw/zinc/32/70/60/762327060.db2.gz BAGZQMPANUKNEJ-LBPRGKRZSA-N 1 1 331.401 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC001009269839 754726656 /nfs/dbraw/zinc/72/66/56/754726656.db2.gz PZPIUKGOVZJUKV-ZFWWWQNUSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC001009269839 754726658 /nfs/dbraw/zinc/72/66/58/754726658.db2.gz PZPIUKGOVZJUKV-ZFWWWQNUSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001009275696 754733048 /nfs/dbraw/zinc/73/30/48/754733048.db2.gz NEUYVNPWQFGIHZ-HZPDHXFCSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001009275696 754733052 /nfs/dbraw/zinc/73/30/52/754733052.db2.gz NEUYVNPWQFGIHZ-HZPDHXFCSA-N 1 1 326.400 0.536 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990164282 754789768 /nfs/dbraw/zinc/78/97/68/754789768.db2.gz UAWIBSZFUNCYOF-RDJZCZTQSA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990164282 754789772 /nfs/dbraw/zinc/78/97/72/754789772.db2.gz UAWIBSZFUNCYOF-RDJZCZTQSA-N 1 1 339.403 0.942 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001028724027 754856300 /nfs/dbraw/zinc/85/63/00/754856300.db2.gz ALNJEMKWZSXWFG-CYBMUJFWSA-N 1 1 344.423 0.712 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCn2cncn2)CC3)[nH]1 ZINC000990248900 754875855 /nfs/dbraw/zinc/87/58/55/754875855.db2.gz AQUQMTGXMKRSLO-DOTOQJQBSA-N 1 1 339.403 0.905 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCCN(CCOC)c1cc(C)[nH+]c(CC)n1 ZINC001126415936 754905119 /nfs/dbraw/zinc/90/51/19/754905119.db2.gz XBFQOORMHVCCNA-OAHLLOKOSA-N 1 1 348.447 0.955 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)s1 ZINC001028735888 754923663 /nfs/dbraw/zinc/92/36/63/754923663.db2.gz SSSORVXJPQAUDC-BXUZGUMPSA-N 1 1 332.429 0.694 20 30 ECEDMO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCNC1=O ZINC001028735995 754924489 /nfs/dbraw/zinc/92/44/89/754924489.db2.gz VEABEGKBUPYTKV-SJORKVTESA-N 1 1 325.412 0.612 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000983228580 754926115 /nfs/dbraw/zinc/92/61/15/754926115.db2.gz OCTPAJXXUQPDLE-OAGGEKHMSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000983228580 754926117 /nfs/dbraw/zinc/92/61/17/754926117.db2.gz OCTPAJXXUQPDLE-OAGGEKHMSA-N 1 1 333.432 0.085 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001028737035 754927656 /nfs/dbraw/zinc/92/76/56/754927656.db2.gz MDRSIVPEUWGJDK-HOTGVXAUSA-N 1 1 326.400 0.632 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001028745136 754953237 /nfs/dbraw/zinc/95/32/37/754953237.db2.gz VVFAVHSMMOJDAS-LBPRGKRZSA-N 1 1 343.366 0.473 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001028774521 755065028 /nfs/dbraw/zinc/06/50/28/755065028.db2.gz XWAGBAFJWOZIIX-CABCVRRESA-N 1 1 327.388 0.178 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cncn3C)[C@H]2C)C1=O ZINC001088711489 755086347 /nfs/dbraw/zinc/08/63/47/755086347.db2.gz KZJKYCJLGLIFPN-RDBSUJKOSA-N 1 1 331.420 0.400 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cncn3C)[C@H]2C)C1=O ZINC001088711489 755086353 /nfs/dbraw/zinc/08/63/53/755086353.db2.gz KZJKYCJLGLIFPN-RDBSUJKOSA-N 1 1 331.420 0.400 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001028792438 755139996 /nfs/dbraw/zinc/13/99/96/755139996.db2.gz HWFGRTUUSCRTGW-ZBFHGGJFSA-N 1 1 326.400 0.393 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001028795010 755145277 /nfs/dbraw/zinc/14/52/77/755145277.db2.gz QMPFCHSDERAWBQ-DZGCQCFKSA-N 1 1 340.427 0.782 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)COCCOCC)C2)nn1 ZINC001105378850 755201247 /nfs/dbraw/zinc/20/12/47/755201247.db2.gz KTCFSUAEPQQWSH-UHFFFAOYSA-N 1 1 337.424 0.380 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001028857460 755322264 /nfs/dbraw/zinc/32/22/64/755322264.db2.gz IKQILEAQYOFEHU-DZGCQCFKSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001028858178 755323465 /nfs/dbraw/zinc/32/34/65/755323465.db2.gz NHIADAJMWBELTO-UONOGXRCSA-N 1 1 348.451 0.383 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083470838 755327643 /nfs/dbraw/zinc/32/76/43/755327643.db2.gz QFYKTQVYWQZRRF-NCOADZHNSA-N 1 1 348.447 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cccnn3)C2)C1=O ZINC001028884859 755382997 /nfs/dbraw/zinc/38/29/97/755382997.db2.gz MPFRMATVRCDOGA-UKRRQHHQSA-N 1 1 329.404 0.315 20 30 ECEDMO CC[NH+]=C(NCCN1CCN(CC)CC1)N1CC[C@]2(CCOC2)C1 ZINC000261939215 755480293 /nfs/dbraw/zinc/48/02/93/755480293.db2.gz DEYLKHFUXAAFKC-SFHVURJKSA-N 1 1 337.512 0.702 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)c1 ZINC000990699100 755646358 /nfs/dbraw/zinc/64/63/58/755646358.db2.gz MABUKUWPJJUUEB-DZGCQCFKSA-N 1 1 341.415 0.701 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1Cc1ccccc1C#N ZINC001088794001 755711424 /nfs/dbraw/zinc/71/14/24/755711424.db2.gz ZPJXAUPWUVHDSK-WQVCFCJDSA-N 1 1 326.400 0.773 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1Cc1ccccc1C#N ZINC001088794001 755711426 /nfs/dbraw/zinc/71/14/26/755711426.db2.gz ZPJXAUPWUVHDSK-WQVCFCJDSA-N 1 1 326.400 0.773 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@H]12 ZINC000990714339 755720523 /nfs/dbraw/zinc/72/05/23/755720523.db2.gz RXDREZRQFVTQGX-SCLBCKFNSA-N 1 1 331.416 0.518 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](O)C1 ZINC001083504821 755765119 /nfs/dbraw/zinc/76/51/19/755765119.db2.gz QNXDDEJWSUPBLJ-ZNMIVQPWSA-N 1 1 337.464 0.761 20 30 ECEDMO C#CCN1CC[C@@]2(NC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC000990737001 755801493 /nfs/dbraw/zinc/80/14/93/755801493.db2.gz FVEBHKHBXFENBX-AEFFLSMTSA-N 1 1 329.448 0.805 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)[C@@H](O)C1 ZINC001083514048 755826420 /nfs/dbraw/zinc/82/64/20/755826420.db2.gz LNOXZVBFFCCKMK-CVEARBPZSA-N 1 1 329.404 0.766 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)[C@@H](O)C1 ZINC001083525181 755911770 /nfs/dbraw/zinc/91/17/70/755911770.db2.gz DCZRRKLKQPUURM-KGLIPLIRSA-N 1 1 331.372 0.369 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CNC(=O)CC)CC1 ZINC001105678831 755937037 /nfs/dbraw/zinc/93/70/37/755937037.db2.gz QHIYKVKLCZCYJS-CALCHBBNSA-N 1 1 346.475 0.285 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088828171 755953941 /nfs/dbraw/zinc/95/39/41/755953941.db2.gz BYIFNXLWJYEKNH-UGFHNGPFSA-N 1 1 327.388 0.319 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1ccccc1C#N ZINC001088828171 755953943 /nfs/dbraw/zinc/95/39/43/755953943.db2.gz BYIFNXLWJYEKNH-UGFHNGPFSA-N 1 1 327.388 0.319 20 30 ECEDMO C=CCCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)C(N)=O)CC1 ZINC001105680167 755984541 /nfs/dbraw/zinc/98/45/41/755984541.db2.gz VOMYKKJOKHZPJG-IYBDPMFKSA-N 1 1 334.464 0.578 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@@H](O)C1 ZINC001083538289 755987166 /nfs/dbraw/zinc/98/71/66/755987166.db2.gz RCGVOQJSLKJTDY-LVQVYYBASA-N 1 1 348.447 0.625 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)[C@@H]2C1 ZINC001076076995 756054474 /nfs/dbraw/zinc/05/44/74/756054474.db2.gz SUDORULYELJCEC-MLHJIOFPSA-N 1 1 347.459 0.032 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)[C@@H]2C1 ZINC001076076585 756063039 /nfs/dbraw/zinc/06/30/39/756063039.db2.gz DYHQOTOEAITGIX-MLHJIOFPSA-N 1 1 349.475 0.585 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)ccc1F ZINC001010380842 756063141 /nfs/dbraw/zinc/06/31/41/756063141.db2.gz IGGXRFHERPPPNP-UKRRQHHQSA-N 1 1 330.363 0.666 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)ccc1F ZINC001010380842 756063144 /nfs/dbraw/zinc/06/31/44/756063144.db2.gz IGGXRFHERPPPNP-UKRRQHHQSA-N 1 1 330.363 0.666 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1 ZINC001010381233 756063766 /nfs/dbraw/zinc/06/37/66/756063766.db2.gz NIJGXXQPFNKCSQ-GOEBONIOSA-N 1 1 342.399 0.558 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 ZINC001076084723 756065466 /nfs/dbraw/zinc/06/54/66/756065466.db2.gz GWFBIHFNZGTBAX-QWHCGFSZSA-N 1 1 339.827 0.257 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 ZINC001076084723 756065474 /nfs/dbraw/zinc/06/54/74/756065474.db2.gz GWFBIHFNZGTBAX-QWHCGFSZSA-N 1 1 339.827 0.257 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cc(OC)ccc2OC)[C@@H](O)C1 ZINC001083542626 756103581 /nfs/dbraw/zinc/10/35/81/756103581.db2.gz GRZLZPMTDSDCJF-CVEARBPZSA-N 1 1 332.400 0.431 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCNC4=O)[C@@H]3C2)s1 ZINC001076126002 756115326 /nfs/dbraw/zinc/11/53/26/756115326.db2.gz ICIBIYPVJDBFIR-TUKIKUTGSA-N 1 1 344.440 0.789 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCNC4=O)[C@@H]3C2)s1 ZINC001076126002 756115331 /nfs/dbraw/zinc/11/53/31/756115331.db2.gz ICIBIYPVJDBFIR-TUKIKUTGSA-N 1 1 344.440 0.789 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)n1 ZINC001076137751 756125514 /nfs/dbraw/zinc/12/55/14/756125514.db2.gz DRPFKPYRCGMAOW-GXFFZTMASA-N 1 1 343.416 0.490 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)n1 ZINC001076137751 756125520 /nfs/dbraw/zinc/12/55/20/756125520.db2.gz DRPFKPYRCGMAOW-GXFFZTMASA-N 1 1 343.416 0.490 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)[C@@H]3C2)C1=O ZINC001076150177 756144343 /nfs/dbraw/zinc/14/43/43/756144343.db2.gz SHFSPYALGQAEDT-ZDGDKENJSA-N 1 1 345.443 0.198 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cn(C)cn1 ZINC001076155744 756147094 /nfs/dbraw/zinc/14/70/94/756147094.db2.gz OUYCDNYNZIVWOW-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cn(C)cn1 ZINC001076155744 756147096 /nfs/dbraw/zinc/14/70/96/756147096.db2.gz OUYCDNYNZIVWOW-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)cc1 ZINC001076193453 756186149 /nfs/dbraw/zinc/18/61/49/756186149.db2.gz KFYMIXVIOMPWPI-DZGCQCFKSA-N 1 1 328.372 0.107 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)c1 ZINC001076223385 756234805 /nfs/dbraw/zinc/23/48/05/756234805.db2.gz WQXKFMSTCOHRDP-GOEBONIOSA-N 1 1 326.400 0.297 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)c1 ZINC001076223385 756234809 /nfs/dbraw/zinc/23/48/09/756234809.db2.gz WQXKFMSTCOHRDP-GOEBONIOSA-N 1 1 326.400 0.297 20 30 ECEDMO CCn1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051609037 762458061 /nfs/dbraw/zinc/45/80/61/762458061.db2.gz NCAHFPURFLLANM-HNNXBMFYSA-N 1 1 331.420 0.337 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC001076315766 756344349 /nfs/dbraw/zinc/34/43/49/756344349.db2.gz QPIWAOUWQROFBQ-LSDHHAIUSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC001010655797 756358236 /nfs/dbraw/zinc/35/82/36/756358236.db2.gz DCSACDAAKUUHKI-HOTGVXAUSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC001010655797 756358241 /nfs/dbraw/zinc/35/82/41/756358241.db2.gz DCSACDAAKUUHKI-HOTGVXAUSA-N 1 1 333.432 0.181 20 30 ECEDMO O=C(CN1CCOCC1)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010673207 756381336 /nfs/dbraw/zinc/38/13/36/756381336.db2.gz YCHFHNZNHNHCEB-GOSISDBHSA-N 1 1 327.428 0.561 20 30 ECEDMO O=C(CN1CCOCC1)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010673207 756381339 /nfs/dbraw/zinc/38/13/39/756381339.db2.gz YCHFHNZNHNHCEB-GOSISDBHSA-N 1 1 327.428 0.561 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4nc(C)c[nH]4)[C@@H]3C2)C1=O ZINC001076342626 756393027 /nfs/dbraw/zinc/39/30/27/756393027.db2.gz VKFDGSKGGSUQGV-RRFJBIMHSA-N 1 1 343.431 0.651 20 30 ECEDMO Cn1c(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)nnc1C1CC1 ZINC001051611600 762465706 /nfs/dbraw/zinc/46/57/06/762465706.db2.gz MFTQKBYMNJMHTB-HNNXBMFYSA-N 1 1 343.431 0.423 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c[nH]1 ZINC001010700240 756416099 /nfs/dbraw/zinc/41/60/99/756416099.db2.gz WWEMACGYWJWHNF-JSGCOSHPSA-N 1 1 325.376 0.469 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@@H]2C1 ZINC001076457956 756534161 /nfs/dbraw/zinc/53/41/61/756534161.db2.gz ZEHQHRYELIUTRB-WDEREUQCSA-N 1 1 334.376 0.619 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)c1 ZINC001076477937 756564568 /nfs/dbraw/zinc/56/45/68/756564568.db2.gz CMARUXSSWZIZLQ-YESZJQIVSA-N 1 1 338.411 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC001010834938 756581775 /nfs/dbraw/zinc/58/17/75/756581775.db2.gz BSAAIZIPAIZEHE-CVEARBPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC001010834938 756581777 /nfs/dbraw/zinc/58/17/77/756581777.db2.gz BSAAIZIPAIZEHE-CVEARBPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCOCC1CC1 ZINC001076516038 756592531 /nfs/dbraw/zinc/59/25/31/756592531.db2.gz CSZCECIHLHERGL-RDJZCZTQSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCOCC1CC1 ZINC001076516038 756592533 /nfs/dbraw/zinc/59/25/33/756592533.db2.gz CSZCECIHLHERGL-RDJZCZTQSA-N 1 1 349.475 0.912 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1c1cnc(C#N)cn1 ZINC001060123910 756616968 /nfs/dbraw/zinc/61/69/68/756616968.db2.gz PXVKQDMYTHVENR-LSDHHAIUSA-N 1 1 328.420 0.918 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1 ZINC001076587191 756691372 /nfs/dbraw/zinc/69/13/72/756691372.db2.gz XOAWJQJZHMDRGI-DZGCQCFKSA-N 1 1 328.416 0.639 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990893714 756723041 /nfs/dbraw/zinc/72/30/41/756723041.db2.gz UBFIQNJHGBHBJA-HNNXBMFYSA-N 1 1 329.404 0.700 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)ncn2)CC1 ZINC001011014131 756768280 /nfs/dbraw/zinc/76/82/80/756768280.db2.gz RPOCVJAWGRUWGK-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)ncn2)CC1 ZINC001011014131 756768283 /nfs/dbraw/zinc/76/82/83/756768283.db2.gz RPOCVJAWGRUWGK-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2cncc(C#N)n2)C1 ZINC001060129726 756824681 /nfs/dbraw/zinc/82/46/81/756824681.db2.gz VRRIEBOFVZGNGI-GJZGRUSLSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2cncc(C#N)n2)C1 ZINC001060129726 756824688 /nfs/dbraw/zinc/82/46/88/756824688.db2.gz VRRIEBOFVZGNGI-GJZGRUSLSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2coc(C)c2)CC1 ZINC001011045985 756826132 /nfs/dbraw/zinc/82/61/32/756826132.db2.gz MEXXRGAPUAWNAE-INIZCTEOSA-N 1 1 329.400 0.970 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2coc(C)c2)CC1 ZINC001011045985 756826138 /nfs/dbraw/zinc/82/61/38/756826138.db2.gz MEXXRGAPUAWNAE-INIZCTEOSA-N 1 1 329.400 0.970 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001011098025 756923476 /nfs/dbraw/zinc/92/34/76/756923476.db2.gz LCVIAAJDXJAABG-OLZOCXBDSA-N 1 1 325.359 0.410 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001011098025 756923480 /nfs/dbraw/zinc/92/34/80/756923480.db2.gz LCVIAAJDXJAABG-OLZOCXBDSA-N 1 1 325.359 0.410 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@H]3C2)c[nH]1 ZINC001048772879 756946546 /nfs/dbraw/zinc/94/65/46/756946546.db2.gz MZKWKPDALIHFBP-OKILXGFUSA-N 1 1 327.388 0.122 20 30 ECEDMO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](CC[C@H]3CCCO3)C2)nn1 ZINC001107149607 757051544 /nfs/dbraw/zinc/05/15/44/757051544.db2.gz KPYANJAGPSZRML-IUODEOHRSA-N 1 1 332.408 0.480 20 30 ECEDMO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](CC3CC(F)(F)C3)C2)nn1 ZINC001107149282 757084860 /nfs/dbraw/zinc/08/48/60/757084860.db2.gz AFUBGORWGHKDBK-JTQLQIEISA-N 1 1 338.362 0.956 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)cc1 ZINC001076792387 757139429 /nfs/dbraw/zinc/13/94/29/757139429.db2.gz UQBAZWBUOZJYCM-USXIJHARSA-N 1 1 345.399 0.287 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)cc1 ZINC001076792387 757139432 /nfs/dbraw/zinc/13/94/32/757139432.db2.gz UQBAZWBUOZJYCM-USXIJHARSA-N 1 1 345.399 0.287 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001048844706 757159927 /nfs/dbraw/zinc/15/99/27/757159927.db2.gz QGFWJTTZCYWVLC-JYJNAYRXSA-N 1 1 337.464 0.856 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@H]2C1 ZINC001048860538 757207551 /nfs/dbraw/zinc/20/75/51/757207551.db2.gz YHSSJEPVPWFQIW-ZNMIVQPWSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001011218765 757211689 /nfs/dbraw/zinc/21/16/89/757211689.db2.gz PJFDFQIBSVSRTQ-INIZCTEOSA-N 1 1 328.416 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001011218765 757211698 /nfs/dbraw/zinc/21/16/98/757211698.db2.gz PJFDFQIBSVSRTQ-INIZCTEOSA-N 1 1 328.416 0.326 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@H]2C1 ZINC001048869968 757238305 /nfs/dbraw/zinc/23/83/05/757238305.db2.gz JLFUANRCNOILAZ-IXDOHACOSA-N 1 1 339.443 0.859 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076811123 757252993 /nfs/dbraw/zinc/25/29/93/757252993.db2.gz AGACWUGKVCRIGR-GRYCIOLGSA-N 1 1 332.242 0.151 20 30 ECEDMO C#CCCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001048874319 757253545 /nfs/dbraw/zinc/25/35/45/757253545.db2.gz WUJNOOQUYFGHST-IKGGRYGDSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@H]2C1 ZINC001048892328 757316671 /nfs/dbraw/zinc/31/66/71/757316671.db2.gz XYWIJMGFFOTRQX-GASCZTMLSA-N 1 1 336.457 0.225 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@H]2C1 ZINC001048893356 757317477 /nfs/dbraw/zinc/31/74/77/757317477.db2.gz VCUOMMGQIUNBNW-XQHKEYJVSA-N 1 1 334.338 0.909 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001011262182 757322971 /nfs/dbraw/zinc/32/29/71/757322971.db2.gz MDZDHHKVBGRXCE-ZBFHGGJFSA-N 1 1 348.447 0.460 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000996332025 757395478 /nfs/dbraw/zinc/39/54/78/757395478.db2.gz WUXXJLAQXPPWMF-HZSPNIEDSA-N 1 1 333.436 0.733 20 30 ECEDMO CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)C1CCC1 ZINC001076855749 757398604 /nfs/dbraw/zinc/39/86/04/757398604.db2.gz LKHSYJGWKLGFMQ-BZUAXINKSA-N 1 1 332.404 0.476 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001011282557 757403156 /nfs/dbraw/zinc/40/31/56/757403156.db2.gz WOLUNQRZCNFTJN-CVEARBPZSA-N 1 1 335.448 0.733 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@H]2C1 ZINC001048921446 757418799 /nfs/dbraw/zinc/41/87/99/757418799.db2.gz ZXSOEABDZAYWTE-OKILXGFUSA-N 1 1 340.383 0.440 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001048923437 757423704 /nfs/dbraw/zinc/42/37/04/757423704.db2.gz QGXVZFYMUAOVSC-NCOADZHNSA-N 1 1 349.475 0.550 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@H]2C1 ZINC001048923511 757425018 /nfs/dbraw/zinc/42/50/18/757425018.db2.gz AXGAPBTWUXRJQD-KFWWJZLASA-N 1 1 326.462 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2cccc2)CC1 ZINC001011314298 757488570 /nfs/dbraw/zinc/48/85/70/757488570.db2.gz UUJMCKZXCYSIDJ-KRWDZBQOSA-N 1 1 342.443 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2cccc2)CC1 ZINC001011314298 757488576 /nfs/dbraw/zinc/48/85/76/757488576.db2.gz UUJMCKZXCYSIDJ-KRWDZBQOSA-N 1 1 342.443 0.647 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@H]2C1 ZINC001048959949 757519932 /nfs/dbraw/zinc/51/99/32/757519932.db2.gz PHUUGGWBVRHUAL-OKILXGFUSA-N 1 1 339.399 0.358 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@H]2C1 ZINC001048960203 757520665 /nfs/dbraw/zinc/52/06/65/757520665.db2.gz WDVYGOFGSKVSKJ-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@H]2C1 ZINC001048961189 757525113 /nfs/dbraw/zinc/52/51/13/757525113.db2.gz VGHIANXKPJICOW-ZNMIVQPWSA-N 1 1 341.402 0.366 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)cc1 ZINC001048973657 757563200 /nfs/dbraw/zinc/56/32/00/757563200.db2.gz QYHYKPWTCVOMAV-KSZLIROESA-N 1 1 337.423 0.902 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001021588863 757650621 /nfs/dbraw/zinc/65/06/21/757650621.db2.gz FDJDVNLHCIEKDD-DLBZAZTESA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)C[C@@H](NC(=O)CNC(C)=O)c1ccccc1O2 ZINC001111529581 757676834 /nfs/dbraw/zinc/67/68/34/757676834.db2.gz MKFJKNKKXJMDEA-APWZRJJASA-N 1 1 341.411 0.840 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)C1 ZINC001107210041 757689291 /nfs/dbraw/zinc/68/92/91/757689291.db2.gz BVOKTXLJMKLHQW-VQTKUKTRSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)C1 ZINC001107210041 757689295 /nfs/dbraw/zinc/68/92/95/757689295.db2.gz BVOKTXLJMKLHQW-VQTKUKTRSA-N 1 1 330.392 0.153 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021623155 757701071 /nfs/dbraw/zinc/70/10/71/757701071.db2.gz NKTTYOVRIOWKMH-CABCVRRESA-N 1 1 346.431 0.838 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)cn2)C1 ZINC001021636478 757719957 /nfs/dbraw/zinc/71/99/57/757719957.db2.gz QGGZSIFQLMTCBO-GDBMZVCRSA-N 1 1 328.416 0.730 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049043026 757768178 /nfs/dbraw/zinc/76/81/78/757768178.db2.gz JAJFYTMHRPCXDR-HZSPNIEDSA-N 1 1 331.416 0.538 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001021690892 757787018 /nfs/dbraw/zinc/78/70/18/757787018.db2.gz LCUVHQHTFLHQMC-GJZGRUSLSA-N 1 1 346.431 0.426 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021690881 757787562 /nfs/dbraw/zinc/78/75/62/757787562.db2.gz LBANWCFABTWLRJ-UKRRQHHQSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021690960 757788735 /nfs/dbraw/zinc/78/87/35/757788735.db2.gz MCLREPWEJQPURI-UKRRQHHQSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)OCCOC)nn2)C1 ZINC001107217339 757820815 /nfs/dbraw/zinc/82/08/15/757820815.db2.gz HDSQIEPZHBPKJD-ZDUSSCGKSA-N 1 1 337.424 0.379 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cnccc2=O)C1 ZINC001021704376 757827244 /nfs/dbraw/zinc/82/72/44/757827244.db2.gz SCGZLOACMUPOSH-IRXDYDNUSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CCN1CC(n2cc(CNC(=O)CCCn3cc[nH+]c3C)nn2)C1 ZINC001107219305 757836254 /nfs/dbraw/zinc/83/62/54/757836254.db2.gz QAAKVJZTJBPJEL-UHFFFAOYSA-N 1 1 341.419 0.370 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021724523 757864286 /nfs/dbraw/zinc/86/42/86/757864286.db2.gz MISPYMRXKMWHOO-HZPDHXFCSA-N 1 1 347.463 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@@H]2C1 ZINC001049067875 757865970 /nfs/dbraw/zinc/86/59/70/757865970.db2.gz BBFAVQSJVRMAKX-ALYAQQCSSA-N 1 1 347.459 0.589 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(=O)n(C)n2)C1 ZINC001021728600 757869558 /nfs/dbraw/zinc/86/95/58/757869558.db2.gz UWGQOLGIQXXWCZ-ZBFHGGJFSA-N 1 1 328.416 0.730 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001076994618 757891399 /nfs/dbraw/zinc/89/13/99/757891399.db2.gz MPEZTNZPGKILKZ-NUEKZKHPSA-N 1 1 332.375 0.561 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001076994618 757891406 /nfs/dbraw/zinc/89/14/06/757891406.db2.gz MPEZTNZPGKILKZ-NUEKZKHPSA-N 1 1 332.375 0.561 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001049084638 757918123 /nfs/dbraw/zinc/91/81/23/757918123.db2.gz INWPOFWZDSHARZ-PMPSAXMXSA-N 1 1 348.447 0.824 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCC(=O)NCCC)nn2)C1 ZINC001107230490 757938906 /nfs/dbraw/zinc/93/89/06/757938906.db2.gz KDGPPFRBTFVNJR-UHFFFAOYSA-N 1 1 348.451 0.634 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nn1 ZINC001049103822 757965949 /nfs/dbraw/zinc/96/59/49/757965949.db2.gz XLNCZKQBOOWUNY-GASCZTMLSA-N 1 1 341.419 0.402 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]3C2)nn1 ZINC001049103823 757966415 /nfs/dbraw/zinc/96/64/15/757966415.db2.gz XOAMDVPQZKRYPC-IYBDPMFKSA-N 1 1 345.447 0.895 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H](CC)OC)C[C@@H]3C2)nn1 ZINC001049103743 757966470 /nfs/dbraw/zinc/96/64/70/757966470.db2.gz SVUGJYLVGGDMAM-QLFBSQMISA-N 1 1 333.436 0.893 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/CNc1ccnc(C#N)n1 ZINC001107229391 757991533 /nfs/dbraw/zinc/99/15/33/757991533.db2.gz JCWBAIHXUWSJHM-NNTXTVRGSA-N 1 1 328.420 0.729 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)CC[N@H+]1C ZINC001077023747 757996098 /nfs/dbraw/zinc/99/60/98/757996098.db2.gz QLFHTABRRAQQPS-BNEJOLLZSA-N 1 1 342.443 0.560 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(CNC(C)=O)o3)C[C@H]2C1 ZINC001049116207 758009765 /nfs/dbraw/zinc/00/97/65/758009765.db2.gz DAEXQICWWNCCBN-GASCZTMLSA-N 1 1 329.400 0.943 20 30 ECEDMO C=CCN1CC(n2cc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)nn2)C1 ZINC001107238305 758030505 /nfs/dbraw/zinc/03/05/05/758030505.db2.gz QCOFXOGCCGJUEG-OKILXGFUSA-N 1 1 332.452 0.810 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)c1 ZINC001021946146 758089156 /nfs/dbraw/zinc/08/91/56/758089156.db2.gz IFRYCLOZTOZWCS-PHIMTYICSA-N 1 1 326.364 0.258 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(=O)CC)c2)C1 ZINC001077082218 758113721 /nfs/dbraw/zinc/11/37/21/758113721.db2.gz IKHUTCIRHXQZNE-HZPDHXFCSA-N 1 1 329.400 0.833 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(=O)CC)c2)C1 ZINC001077082218 758113725 /nfs/dbraw/zinc/11/37/25/758113725.db2.gz IKHUTCIRHXQZNE-HZPDHXFCSA-N 1 1 329.400 0.833 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001021976888 758121652 /nfs/dbraw/zinc/12/16/52/758121652.db2.gz LOJJTIFNVUMVAE-TXEJJXNPSA-N 1 1 328.380 0.333 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049163169 758184781 /nfs/dbraw/zinc/18/47/81/758184781.db2.gz FKTSUFOSMSXLEN-KKUMJFAQSA-N 1 1 337.464 0.571 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@@H]3C2)cn1 ZINC001049177848 758233335 /nfs/dbraw/zinc/23/33/35/758233335.db2.gz QXCJUYFPRSPGFN-GASCZTMLSA-N 1 1 326.400 0.155 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccncc1 ZINC001077123756 758249334 /nfs/dbraw/zinc/24/93/34/758249334.db2.gz BPGGXNRCTBGOLF-HOCLYGCPSA-N 1 1 328.416 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccncc1 ZINC001077123756 758249340 /nfs/dbraw/zinc/24/93/40/758249340.db2.gz BPGGXNRCTBGOLF-HOCLYGCPSA-N 1 1 328.416 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[C@H]1CCOC1 ZINC001077123747 758249364 /nfs/dbraw/zinc/24/93/64/758249364.db2.gz BFCZIYQJBWQDQT-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[C@H]1CCOC1 ZINC001077123747 758249372 /nfs/dbraw/zinc/24/93/72/758249372.db2.gz BFCZIYQJBWQDQT-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1CC(OCC)C1 ZINC001077124038 758251074 /nfs/dbraw/zinc/25/10/74/758251074.db2.gz KXQBXBLUAVBMRU-OTBWCIGPSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1CC(OCC)C1 ZINC001077124038 758251086 /nfs/dbraw/zinc/25/10/86/758251086.db2.gz KXQBXBLUAVBMRU-OTBWCIGPSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1n[nH]c(C)c1C ZINC001077124025 758251296 /nfs/dbraw/zinc/25/12/96/758251296.db2.gz KBWJFTRUZCWDDW-WFASDCNBSA-N 1 1 345.447 0.749 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1n[nH]c(C)c1C ZINC001077124025 758251307 /nfs/dbraw/zinc/25/13/07/758251307.db2.gz KBWJFTRUZCWDDW-WFASDCNBSA-N 1 1 345.447 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1snnc1C ZINC001077124030 758251695 /nfs/dbraw/zinc/25/16/95/758251695.db2.gz KGOMFLAEGKZZIL-AAEUAGOBSA-N 1 1 349.460 0.569 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1snnc1C ZINC001077124030 758251700 /nfs/dbraw/zinc/25/17/00/758251700.db2.gz KGOMFLAEGKZZIL-AAEUAGOBSA-N 1 1 349.460 0.569 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ncccc1F ZINC001077125581 758292882 /nfs/dbraw/zinc/29/28/82/758292882.db2.gz YGEZCFKZWSEKEK-ZFWWWQNUSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ncccc1F ZINC001077125581 758292889 /nfs/dbraw/zinc/29/28/89/758292889.db2.gz YGEZCFKZWSEKEK-ZFWWWQNUSA-N 1 1 346.406 0.943 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001077138818 758296203 /nfs/dbraw/zinc/29/62/03/758296203.db2.gz OTVUGOPCJHBAIB-FVQBIDKESA-N 1 1 346.431 0.070 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001077138818 758296213 /nfs/dbraw/zinc/29/62/13/758296213.db2.gz OTVUGOPCJHBAIB-FVQBIDKESA-N 1 1 346.431 0.070 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C)CCC[C@@H]12 ZINC001107328856 758301428 /nfs/dbraw/zinc/30/14/28/758301428.db2.gz BAPDZRAZGQZZBL-FRQCXROJSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C)CCC[C@@H]12 ZINC001107328856 758301439 /nfs/dbraw/zinc/30/14/39/758301439.db2.gz BAPDZRAZGQZZBL-FRQCXROJSA-N 1 1 346.475 0.191 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@H]2C1 ZINC001049207564 758308560 /nfs/dbraw/zinc/30/85/60/758308560.db2.gz NKATXQBIHVOUPW-CALCHBBNSA-N 1 1 340.427 0.882 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccnc(F)c2)C1=O ZINC001032310104 758340243 /nfs/dbraw/zinc/34/02/43/758340243.db2.gz LHYJYTSCMXWGSD-SOUVJXGZSA-N 1 1 344.390 0.906 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccnc(F)c2)C1=O ZINC001032310104 758340251 /nfs/dbraw/zinc/34/02/51/758340251.db2.gz LHYJYTSCMXWGSD-SOUVJXGZSA-N 1 1 344.390 0.906 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3cc[nH]n3)CCC[C@@H]12 ZINC001107347460 758360203 /nfs/dbraw/zinc/36/02/03/758360203.db2.gz PLOHFPPRPVIOTE-SJLPKXTDSA-N 1 1 330.432 0.963 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001077166880 758400532 /nfs/dbraw/zinc/40/05/32/758400532.db2.gz NHOGIJSLQAAWEW-NVXWUHKLSA-N 1 1 326.400 0.749 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001077166880 758400536 /nfs/dbraw/zinc/40/05/36/758400536.db2.gz NHOGIJSLQAAWEW-NVXWUHKLSA-N 1 1 326.400 0.749 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)Cn3c(C)c(C)sc3=O)C[C@H]2C1 ZINC001049235743 758405829 /nfs/dbraw/zinc/40/58/29/758405829.db2.gz TZCOOEPPCAFYND-GASCZTMLSA-N 1 1 333.457 0.940 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(N)=O)CCC[C@@H]12 ZINC001107377392 758406100 /nfs/dbraw/zinc/40/61/00/758406100.db2.gz JSTAXXWKXCWZPG-JJRVBVJISA-N 1 1 336.436 0.054 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001022205664 758416942 /nfs/dbraw/zinc/41/69/42/758416942.db2.gz DLDQJRWYBUDPAM-UPJWGTAASA-N 1 1 329.408 0.809 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)c1 ZINC001077183046 758435687 /nfs/dbraw/zinc/43/56/87/758435687.db2.gz RLJHCUKONAMGQX-HUUCEWRRSA-N 1 1 339.355 0.029 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)c1 ZINC001077183046 758435694 /nfs/dbraw/zinc/43/56/94/758435694.db2.gz RLJHCUKONAMGQX-HUUCEWRRSA-N 1 1 339.355 0.029 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]2C1 ZINC001049256416 758450795 /nfs/dbraw/zinc/45/07/95/758450795.db2.gz XTHXECLOYKETDK-BETUJISGSA-N 1 1 334.807 0.937 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001049268843 758460528 /nfs/dbraw/zinc/46/05/28/758460528.db2.gz UIODMOGSKVYDHB-WCVJEAGWSA-N 1 1 337.464 0.713 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1O ZINC001049268603 758460848 /nfs/dbraw/zinc/46/08/48/758460848.db2.gz QJQACZGVXSBFLA-PMPSAXMXSA-N 1 1 339.480 0.961 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC/C=C\CNc2nccnc2C#N)no1 ZINC001107403010 758472874 /nfs/dbraw/zinc/47/28/74/758472874.db2.gz QJXWGHIQFNDNGE-ARJAWSKDSA-N 1 1 341.375 0.796 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107424281 758532094 /nfs/dbraw/zinc/53/20/94/758532094.db2.gz GFJNBIXPFCWAHT-CXAGYDPISA-N 1 1 336.436 0.898 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001077226352 758561641 /nfs/dbraw/zinc/56/16/41/758561641.db2.gz MDFSFWSJSSBADO-GDBMZVCRSA-N 1 1 331.416 0.866 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)CC(N)=O)cc1 ZINC001049380622 758599449 /nfs/dbraw/zinc/59/94/49/758599449.db2.gz CBEMVHOVAOCMRS-HOTGVXAUSA-N 1 1 326.400 0.999 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12 ZINC001107465176 758621526 /nfs/dbraw/zinc/62/15/26/758621526.db2.gz PCNDBOHRVXDXDU-RDTXWAMCSA-N 1 1 344.415 0.333 20 30 ECEDMO O=C(NCCNCC#Cc1ccc(F)cc1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779977 758630808 /nfs/dbraw/zinc/63/08/08/758630808.db2.gz UPZLRAQSEJYZGH-ROUUACIJSA-N 1 1 345.418 0.746 20 30 ECEDMO O=C(NCCNCC#Cc1ccc(F)cc1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779977 758630814 /nfs/dbraw/zinc/63/08/14/758630814.db2.gz UPZLRAQSEJYZGH-ROUUACIJSA-N 1 1 345.418 0.746 20 30 ECEDMO N#Cc1ccc(F)cc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780105 758633242 /nfs/dbraw/zinc/63/32/42/758633242.db2.gz VYBATELOAPOMHJ-IRXDYDNUSA-N 1 1 346.406 0.766 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CN3CCCNC3=O)CCC[C@@H]12 ZINC001107463833 758644252 /nfs/dbraw/zinc/64/42/52/758644252.db2.gz GMLIGKMSPXLXJY-CRAIPNDOSA-N 1 1 332.448 0.786 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1O ZINC001049450007 758723494 /nfs/dbraw/zinc/72/34/94/758723494.db2.gz OVTZCYXXKTVXMZ-MPGHIAIKSA-N 1 1 339.480 0.961 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001077298114 758728174 /nfs/dbraw/zinc/72/81/74/758728174.db2.gz OQXYQCCLTJCJHF-HUUCEWRRSA-N 1 1 327.388 0.823 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)nn1 ZINC001098676719 762654112 /nfs/dbraw/zinc/65/41/12/762654112.db2.gz UANVAECEJVYTMQ-HZPDHXFCSA-N 1 1 349.435 0.523 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001049474946 758779167 /nfs/dbraw/zinc/77/91/67/758779167.db2.gz RUWAGICRZGKXLT-HUUCEWRRSA-N 1 1 345.443 0.860 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1snc(Cl)c1C#N ZINC001105908963 762657797 /nfs/dbraw/zinc/65/77/97/762657797.db2.gz AJJLHSMDSXTODG-SECBINFHSA-N 1 1 345.856 0.899 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001049483282 758793422 /nfs/dbraw/zinc/79/34/22/758793422.db2.gz UQCBIBJPFVTAIN-UONOGXRCSA-N 1 1 346.435 0.409 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001014425910 762659207 /nfs/dbraw/zinc/65/92/07/762659207.db2.gz NDRQGKLMDHMRQB-KBPBESRZSA-N 1 1 331.420 0.919 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049507181 758823831 /nfs/dbraw/zinc/82/38/31/758823831.db2.gz DEHCCALPHIGBRT-LSDHHAIUSA-N 1 1 341.477 0.663 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](Cn1cccn1)N(C)C ZINC001049517921 758843782 /nfs/dbraw/zinc/84/37/82/758843782.db2.gz NMADOLWZYORTAE-GVDBMIGSSA-N 1 1 329.448 0.512 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC001011906248 758916490 /nfs/dbraw/zinc/91/64/90/758916490.db2.gz ZJZIZNKUYDFTBL-SWLSCSKDSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001049560669 758923658 /nfs/dbraw/zinc/92/36/58/758923658.db2.gz XASSDMAGKDHCSG-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O ZINC001049561226 758925307 /nfs/dbraw/zinc/92/53/07/758925307.db2.gz ITDJLYSNOWCCLT-GJZGRUSLSA-N 1 1 333.436 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nnc(-c2ccco2)n1 ZINC001049568340 758936384 /nfs/dbraw/zinc/93/63/84/758936384.db2.gz UUCBQSSKRFSKCJ-KGLIPLIRSA-N 1 1 340.387 0.632 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001077375736 758937890 /nfs/dbraw/zinc/93/78/90/758937890.db2.gz BYRRDMWDLPQGCC-GHMZBOCLSA-N 1 1 330.310 0.846 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001077375736 758937894 /nfs/dbraw/zinc/93/78/94/758937894.db2.gz BYRRDMWDLPQGCC-GHMZBOCLSA-N 1 1 330.310 0.846 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049581369 758958015 /nfs/dbraw/zinc/95/80/15/758958015.db2.gz ZHEKQIOMKFGMAZ-UONOGXRCSA-N 1 1 332.404 0.590 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049596930 758976690 /nfs/dbraw/zinc/97/66/90/758976690.db2.gz XSOHZIUNBZCBLO-QZWWFDLISA-N 1 1 347.459 0.888 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049606555 758985277 /nfs/dbraw/zinc/98/52/77/758985277.db2.gz CHDFRFGWCPONMO-ARFHVFGLSA-N 1 1 341.415 0.454 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049611363 758993122 /nfs/dbraw/zinc/99/31/22/758993122.db2.gz GFMUIKIIWQENGR-MWDXBVQZSA-N 1 1 333.432 0.321 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001049739866 759152660 /nfs/dbraw/zinc/15/26/60/759152660.db2.gz RUAAGQONJLUFSW-ARFHVFGLSA-N 1 1 342.447 0.714 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC000991065141 759154825 /nfs/dbraw/zinc/15/48/25/759154825.db2.gz FBHQSPDVVAHTMP-CZUORRHYSA-N 1 1 341.839 0.711 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC000991065141 759154829 /nfs/dbraw/zinc/15/48/29/759154829.db2.gz FBHQSPDVVAHTMP-CZUORRHYSA-N 1 1 341.839 0.711 20 30 ECEDMO C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001049781213 759197900 /nfs/dbraw/zinc/19/79/00/759197900.db2.gz KZPHIFDTNUTHGX-IRXDYDNUSA-N 1 1 329.448 0.757 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001049783047 759200025 /nfs/dbraw/zinc/20/00/25/759200025.db2.gz TYPRQPNHJZCWKF-KFWWJZLASA-N 1 1 341.477 0.662 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(=O)n(CC)n1 ZINC001049792401 759217056 /nfs/dbraw/zinc/21/70/56/759217056.db2.gz IVPNHISPPZSSFK-JKSUJKDBSA-N 1 1 328.416 0.965 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cnon2)C1=O ZINC001049796823 759221731 /nfs/dbraw/zinc/22/17/31/759221731.db2.gz GFMNVZOCRDYNQO-ZNMIVQPWSA-N 1 1 345.403 0.535 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001049827073 759261328 /nfs/dbraw/zinc/26/13/28/759261328.db2.gz JHWOFRVFADBWHK-BHYGNILZSA-N 1 1 343.431 0.627 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nc(C)ccc1=O ZINC001049853616 759305004 /nfs/dbraw/zinc/30/50/04/759305004.db2.gz GZKYAMXDBBGSRQ-HOTGVXAUSA-N 1 1 328.416 0.640 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNc2ncc(C#N)cc2F)C1 ZINC001105913573 762701586 /nfs/dbraw/zinc/70/15/86/762701586.db2.gz FWJUKWGNDQHVBB-WCQYABFASA-N 1 1 335.383 0.323 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cnnn2)cc1 ZINC001049881187 759338276 /nfs/dbraw/zinc/33/82/76/759338276.db2.gz NXYMDWIZCROUEO-DLBZAZTESA-N 1 1 336.399 0.974 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCN(C(N)=O)CC1 ZINC001049883119 759342473 /nfs/dbraw/zinc/34/24/73/759342473.db2.gz HFPNMYARIMEOTB-HZPDHXFCSA-N 1 1 332.448 0.866 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001047634478 759360351 /nfs/dbraw/zinc/36/03/51/759360351.db2.gz HKUQCPGEHHAGKE-KBPBESRZSA-N 1 1 328.372 0.810 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001047634478 759360360 /nfs/dbraw/zinc/36/03/60/759360360.db2.gz HKUQCPGEHHAGKE-KBPBESRZSA-N 1 1 328.372 0.810 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001047637469 759370328 /nfs/dbraw/zinc/37/03/28/759370328.db2.gz YLEVBOKTRLDKCM-IRXDYDNUSA-N 1 1 349.475 0.552 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001047637469 759370337 /nfs/dbraw/zinc/37/03/37/759370337.db2.gz YLEVBOKTRLDKCM-IRXDYDNUSA-N 1 1 349.475 0.552 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001047640990 759384862 /nfs/dbraw/zinc/38/48/62/759384862.db2.gz OFGCYMZIEOVIAZ-HOTGVXAUSA-N 1 1 344.415 0.972 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1COCCN1C(C)=O ZINC001049904172 759385621 /nfs/dbraw/zinc/38/56/21/759385621.db2.gz NDIDMVDXFIOWMO-BRWVUGGUSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001047641300 759386629 /nfs/dbraw/zinc/38/66/29/759386629.db2.gz WEIIOVJHZBZRCM-GJZGRUSLSA-N 1 1 328.372 0.029 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001047641300 759386636 /nfs/dbraw/zinc/38/66/36/759386636.db2.gz WEIIOVJHZBZRCM-GJZGRUSLSA-N 1 1 328.372 0.029 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001047644847 759393554 /nfs/dbraw/zinc/39/35/54/759393554.db2.gz UFKHLNFGMHYXIT-GJZGRUSLSA-N 1 1 332.404 0.741 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001047644847 759393560 /nfs/dbraw/zinc/39/35/60/759393560.db2.gz UFKHLNFGMHYXIT-GJZGRUSLSA-N 1 1 332.404 0.741 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C(N)=O)n1 ZINC001049914164 759396618 /nfs/dbraw/zinc/39/66/18/759396618.db2.gz ANTAYSNOZBDRKV-CVEARBPZSA-N 1 1 326.400 0.883 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 ZINC001049916812 759399623 /nfs/dbraw/zinc/39/96/23/759399623.db2.gz FTRIHZZASVXXBK-HUUCEWRRSA-N 1 1 346.435 0.409 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001049919233 759402967 /nfs/dbraw/zinc/40/29/67/759402967.db2.gz OCIQOHQUSJBRDV-GJZGRUSLSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001047648809 759406585 /nfs/dbraw/zinc/40/65/85/759406585.db2.gz DOYCUPAVZZHMGV-KCXAZCMYSA-N 1 1 332.448 0.667 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C(N)=O)nc1 ZINC001049926961 759411413 /nfs/dbraw/zinc/41/14/13/759411413.db2.gz GFRRVCAPBFXJDD-CVEARBPZSA-N 1 1 326.400 0.883 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@@H](C)CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001077429711 759492656 /nfs/dbraw/zinc/49/26/56/759492656.db2.gz FTNSDADEWFHINW-OLZOCXBDSA-N 1 1 331.420 0.933 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001054249760 767866986 /nfs/dbraw/zinc/86/69/86/767866986.db2.gz CWEOJKQCZPBUIW-RDTXWAMCSA-N 1 1 331.416 0.377 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)c1 ZINC001050012180 759547019 /nfs/dbraw/zinc/54/70/19/759547019.db2.gz ZKSASFTYAZBDCB-GOEBONIOSA-N 1 1 339.403 0.714 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)[nH]1 ZINC001050024457 759563692 /nfs/dbraw/zinc/56/36/92/759563692.db2.gz GURFYPPQAQHOKE-TUKIKUTGSA-N 1 1 327.388 0.311 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@@H]4CCCO4)[C@@H]3C2)C1=O ZINC001050025639 759564613 /nfs/dbraw/zinc/56/46/13/759564613.db2.gz DWCAHCRQAKHWGA-HZMVEIRTSA-N 1 1 347.459 0.875 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3cccnc3C(N)=O)C2)c1 ZINC001032202994 759578339 /nfs/dbraw/zinc/57/83/39/759578339.db2.gz WQGJJDCRBVKHLE-UHFFFAOYSA-N 1 1 349.394 0.914 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccccc3C#N)C2)C1 ZINC001032202346 759586231 /nfs/dbraw/zinc/58/62/31/759586231.db2.gz QUHVAWMUBITGBJ-SFHVURJKSA-N 1 1 342.443 0.827 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccccc3C#N)C2)C1 ZINC001032202346 759586236 /nfs/dbraw/zinc/58/62/36/759586236.db2.gz QUHVAWMUBITGBJ-SFHVURJKSA-N 1 1 342.443 0.827 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cn[nH]n4)[C@@H]3C2)C1=O ZINC001050083662 759674145 /nfs/dbraw/zinc/67/41/45/759674145.db2.gz MGMNKBGURFUEBS-AEGPPILISA-N 1 1 344.419 0.128 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001050088787 759682470 /nfs/dbraw/zinc/68/24/70/759682470.db2.gz OCRHRLFSGWBRNX-LSDHHAIUSA-N 1 1 331.416 0.472 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1 ZINC001050102470 759704868 /nfs/dbraw/zinc/70/48/68/759704868.db2.gz XSSNQCUSAHNWEY-NNPSNHGLSA-N 1 1 332.444 0.984 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC001050128410 759764961 /nfs/dbraw/zinc/76/49/61/759764961.db2.gz ZXXNMEWAOGIBEP-RLFYNMQTSA-N 1 1 341.459 0.866 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050152891 759812457 /nfs/dbraw/zinc/81/24/57/759812457.db2.gz JCGRMHNRJBQDNC-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050152891 759812461 /nfs/dbraw/zinc/81/24/61/759812461.db2.gz JCGRMHNRJBQDNC-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1 ZINC001050173568 759863464 /nfs/dbraw/zinc/86/34/64/759863464.db2.gz LROAMMRWJWOFHY-DLBZAZTESA-N 1 1 342.443 0.806 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@@H]2C1 ZINC001050182800 759888042 /nfs/dbraw/zinc/88/80/42/759888042.db2.gz CQCFPQIOWOILBD-NWDGAFQWSA-N 1 1 346.387 0.456 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C(N)=O)cn3)[C@@H]2C1 ZINC001050213347 759947389 /nfs/dbraw/zinc/94/73/89/759947389.db2.gz OYYNNGCLXBAMDT-GOEBONIOSA-N 1 1 326.400 0.740 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993018738 767911677 /nfs/dbraw/zinc/91/16/77/767911677.db2.gz UFNXCZMIEMPKOJ-SMDDNHRTSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993018738 767911680 /nfs/dbraw/zinc/91/16/80/767911680.db2.gz UFNXCZMIEMPKOJ-SMDDNHRTSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C)c1nnnn1C ZINC000995683663 760040900 /nfs/dbraw/zinc/04/09/00/760040900.db2.gz YJPFFBHLOUMJAS-ZWNOBZJWSA-N 1 1 342.407 0.611 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001050314528 760109745 /nfs/dbraw/zinc/10/97/45/760109745.db2.gz WNBGNRKCFMXFAZ-UKRRQHHQSA-N 1 1 334.420 0.747 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)[C@@H]2C)C1 ZINC001050346311 760157039 /nfs/dbraw/zinc/15/70/39/760157039.db2.gz DDSCWKBJJMJBGO-SNPRPXQTSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)[C@@H]2C)C1 ZINC001050346311 760157043 /nfs/dbraw/zinc/15/70/43/760157043.db2.gz DDSCWKBJJMJBGO-SNPRPXQTSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@](C)(O)C2CC2)[C@H](OC)C1 ZINC001212141189 760180955 /nfs/dbraw/zinc/18/09/55/760180955.db2.gz HXWPARMJVBLZEE-INMHGKMJSA-N 1 1 326.437 0.556 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C2CCCC2)[C@@H](O)C1 ZINC001083722718 767946707 /nfs/dbraw/zinc/94/67/07/767946707.db2.gz FEARIFLZFUSRGE-IKGGRYGDSA-N 1 1 337.464 0.367 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@@H](O)C1 ZINC001083647188 760429929 /nfs/dbraw/zinc/42/99/29/760429929.db2.gz PVRRTJZXMRPSOH-ZJUUUORDSA-N 1 1 330.310 0.535 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC001127045497 760440661 /nfs/dbraw/zinc/44/06/61/760440661.db2.gz CEUJMBDCWAQGPL-LLVKDONJSA-N 1 1 334.401 0.000 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001030024741 760630317 /nfs/dbraw/zinc/63/03/17/760630317.db2.gz RTRKAYUQQFFAPO-IXDOHACOSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001030024741 760630318 /nfs/dbraw/zinc/63/03/18/760630318.db2.gz RTRKAYUQQFFAPO-IXDOHACOSA-N 1 1 346.475 0.285 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1nccnc1C#N ZINC001048613116 760791974 /nfs/dbraw/zinc/79/19/74/760791974.db2.gz JKKMWVVKWOEBAZ-CFVMTHIKSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1nccnc1C#N ZINC001048613116 760791981 /nfs/dbraw/zinc/79/19/81/760791981.db2.gz JKKMWVVKWOEBAZ-CFVMTHIKSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)C#N)C[C@@H](C)O2 ZINC001111538475 760799112 /nfs/dbraw/zinc/79/91/12/760799112.db2.gz KAEWTQAOXGSCHL-HUUCEWRRSA-N 1 1 348.447 0.530 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)C1 ZINC000996007157 760930958 /nfs/dbraw/zinc/93/09/58/760930958.db2.gz NRJOMFRQKUJOJG-FQLMCAECSA-N 1 1 341.415 0.700 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3ncccn3)C[C@@H]2C1 ZINC001048728040 761055457 /nfs/dbraw/zinc/05/54/57/761055457.db2.gz RVCDFLYIKAEMBR-XDQVBPFNSA-N 1 1 342.403 0.353 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ncccn3)C[C@@H]2C1 ZINC001048728040 761055468 /nfs/dbraw/zinc/05/54/68/761055468.db2.gz RVCDFLYIKAEMBR-XDQVBPFNSA-N 1 1 342.403 0.353 20 30 ECEDMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)C1=O ZINC001048750652 761111405 /nfs/dbraw/zinc/11/14/05/761111405.db2.gz ZHRUAICQTLHYBQ-GUTXKFCHSA-N 1 1 327.388 0.121 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000991479712 761141623 /nfs/dbraw/zinc/14/16/23/761141623.db2.gz PFYNWJZQHFNLSG-OAHLLOKOSA-N 1 1 329.404 0.700 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC000991480936 761147135 /nfs/dbraw/zinc/14/71/35/761147135.db2.gz VHGQNZCVEGDPEM-QGZVFWFLSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001050953490 761211109 /nfs/dbraw/zinc/21/11/09/761211109.db2.gz DYYUSROTTMPRLX-IRXDYDNUSA-N 1 1 335.448 0.080 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1OC ZINC001212149799 761313975 /nfs/dbraw/zinc/31/39/75/761313975.db2.gz GTBFBTZZEQHXQG-IAGOWNOFSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCC[NH+]1CC(OC2CCN(C(=O)CS(=O)(=O)CC)CC2)C1 ZINC001105734152 761409680 /nfs/dbraw/zinc/40/96/80/761409680.db2.gz CERAJSNMWCZDGW-UHFFFAOYSA-N 1 1 344.477 0.689 20 30 ECEDMO C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051081905 761455640 /nfs/dbraw/zinc/45/56/40/761455640.db2.gz QIMQPBMFFOIFJZ-GJZGRUSLSA-N 1 1 345.871 0.665 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001051085047 761461259 /nfs/dbraw/zinc/46/12/59/761461259.db2.gz ZCNFOSPCEWMPBI-CYBMUJFWSA-N 1 1 344.419 0.760 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001051085047 761461265 /nfs/dbraw/zinc/46/12/65/761461265.db2.gz ZCNFOSPCEWMPBI-CYBMUJFWSA-N 1 1 344.419 0.760 20 30 ECEDMO CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001051085364 761461905 /nfs/dbraw/zinc/46/19/05/761461905.db2.gz DSTBNPPHPNHDDZ-RDJZCZTQSA-N 1 1 330.432 0.594 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001054571555 768045896 /nfs/dbraw/zinc/04/58/96/768045896.db2.gz KCTNIVPORTUFFP-FZMZJTMJSA-N 1 1 342.407 0.533 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCOCC(F)F)C2)nn1 ZINC001098675448 761593004 /nfs/dbraw/zinc/59/30/04/761593004.db2.gz BCEQJTGDBJEVGF-ZDUSSCGKSA-N 1 1 343.378 0.999 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(=O)n(CC)n1 ZINC001051172926 761610518 /nfs/dbraw/zinc/61/05/18/761610518.db2.gz OEMRMBDOXXFLPZ-CQSZACIVSA-N 1 1 334.420 0.660 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(=O)n(CC)n1 ZINC001051172926 761610522 /nfs/dbraw/zinc/61/05/22/761610522.db2.gz OEMRMBDOXXFLPZ-CQSZACIVSA-N 1 1 334.420 0.660 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1 ZINC001054588711 768056904 /nfs/dbraw/zinc/05/69/04/768056904.db2.gz SHSZAXIQNLDNBE-IAQYHMDHSA-N 1 1 327.392 0.748 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H]2CCCOC2)nc1 ZINC001051213842 761703145 /nfs/dbraw/zinc/70/31/45/761703145.db2.gz FTLCQTZPEHFGCY-IAGOWNOFSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H]2CCCOC2)nc1 ZINC001051213842 761703149 /nfs/dbraw/zinc/70/31/49/761703149.db2.gz FTLCQTZPEHFGCY-IAGOWNOFSA-N 1 1 343.427 0.920 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001014457445 762713768 /nfs/dbraw/zinc/71/37/68/762713768.db2.gz GZQOAQICTYNOFM-IMJJTQAJSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001014457445 762713775 /nfs/dbraw/zinc/71/37/75/762713775.db2.gz GZQOAQICTYNOFM-IMJJTQAJSA-N 1 1 335.448 0.779 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ncccc2C#N)C[C@H]1O ZINC001051698204 762722108 /nfs/dbraw/zinc/72/21/08/762722108.db2.gz ARRIYBANRRJUOF-HUUCEWRRSA-N 1 1 340.387 0.214 20 30 ECEDMO C#CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C2)CCC1 ZINC001112114237 762765350 /nfs/dbraw/zinc/76/53/50/762765350.db2.gz GPVRRJIYRVJYJI-VXGBXAGGSA-N 1 1 345.365 0.905 20 30 ECEDMO C=CCn1cc(C(=O)NC2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000991692427 762777512 /nfs/dbraw/zinc/77/75/12/762777512.db2.gz HXBXPSCLZDIQCN-CQSZACIVSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCN(C(N)=O)C3)CCC[C@@H]12 ZINC000991704442 762846891 /nfs/dbraw/zinc/84/68/91/762846891.db2.gz BNSNFAZPAMILOU-HDMKZQKVSA-N 1 1 332.448 0.914 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)C2)cc1 ZINC001014581326 762860807 /nfs/dbraw/zinc/86/08/07/762860807.db2.gz BTLLCWXBCXNFEG-OAHLLOKOSA-N 1 1 340.387 0.571 20 30 ECEDMO Cc1ccc(C#N)c(NCC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001106293054 768090526 /nfs/dbraw/zinc/09/05/26/768090526.db2.gz AEIYGUKYVISMFE-UKRRQHHQSA-N 1 1 331.420 0.899 20 30 ECEDMO Cc1ccc(C#N)c(NCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001106293054 768090532 /nfs/dbraw/zinc/09/05/32/768090532.db2.gz AEIYGUKYVISMFE-UKRRQHHQSA-N 1 1 331.420 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H](CC)OC)CC1 ZINC001017537036 768092563 /nfs/dbraw/zinc/09/25/63/768092563.db2.gz KGLUWMQHDRUMHW-DLBZAZTESA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H](CC)OC)CC1 ZINC001017537036 768092572 /nfs/dbraw/zinc/09/25/72/768092572.db2.gz KGLUWMQHDRUMHW-DLBZAZTESA-N 1 1 347.459 0.784 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1snc(Cl)c1C#N ZINC001105943761 762984034 /nfs/dbraw/zinc/98/40/34/762984034.db2.gz AAARCSQNYFPPSQ-SECBINFHSA-N 1 1 345.856 0.899 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)O1 ZINC001017543207 768097974 /nfs/dbraw/zinc/09/79/74/768097974.db2.gz AKKDVJHGXYTRLR-RHSMWYFYSA-N 1 1 345.443 0.394 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)O1 ZINC001017543207 768097980 /nfs/dbraw/zinc/09/79/80/768097980.db2.gz AKKDVJHGXYTRLR-RHSMWYFYSA-N 1 1 345.443 0.394 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)cc1 ZINC001014712343 763028712 /nfs/dbraw/zinc/02/87/12/763028712.db2.gz RXIIBQHEYKLJDK-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)cn1 ZINC001046779358 763113980 /nfs/dbraw/zinc/11/39/80/763113980.db2.gz RUTCEGPSEJKSAZ-SFHVURJKSA-N 1 1 341.415 0.282 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C)s2)C1 ZINC001014770384 763127178 /nfs/dbraw/zinc/12/71/78/763127178.db2.gz PLUXCTWLACVCBA-KBPBESRZSA-N 1 1 333.461 0.635 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C)s2)C1 ZINC001014770384 763127184 /nfs/dbraw/zinc/12/71/84/763127184.db2.gz PLUXCTWLACVCBA-KBPBESRZSA-N 1 1 333.461 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(OC)no2)C1 ZINC001014780094 763140110 /nfs/dbraw/zinc/14/01/10/763140110.db2.gz PGVITSWZCLOUNC-ZFWWWQNUSA-N 1 1 332.404 0.471 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(OC)no2)C1 ZINC001014780094 763140114 /nfs/dbraw/zinc/14/01/14/763140114.db2.gz PGVITSWZCLOUNC-ZFWWWQNUSA-N 1 1 332.404 0.471 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)cc1 ZINC001089852406 763173686 /nfs/dbraw/zinc/17/36/86/763173686.db2.gz FECKABQZWTVYCI-HZMVEIRTSA-N 1 1 338.411 0.712 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COc1cnn(C)c1 ZINC001089853501 763186683 /nfs/dbraw/zinc/18/66/83/763186683.db2.gz USFDUEWJUPMPPC-RANZSIQMSA-N 1 1 342.443 0.991 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001105982136 763208611 /nfs/dbraw/zinc/20/86/11/763208611.db2.gz KASVFXYGNQQCCL-CABCVRRESA-N 1 1 346.435 0.500 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)c1 ZINC001014810526 763211201 /nfs/dbraw/zinc/21/12/01/763211201.db2.gz HSEYZUNKEBCEHV-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN([C@H]3CCN(C)C3=O)C2)CC1 ZINC001046850580 763231863 /nfs/dbraw/zinc/23/18/63/763231863.db2.gz WVDTUPUQLJRTHB-LPHOPBHVSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001089857468 763260547 /nfs/dbraw/zinc/26/05/47/763260547.db2.gz BKFJZJVNSJOGQJ-NHIYQJMISA-N 1 1 328.416 0.931 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=NC(=O)N(C)C1 ZINC001089857468 763260554 /nfs/dbraw/zinc/26/05/54/763260554.db2.gz BKFJZJVNSJOGQJ-NHIYQJMISA-N 1 1 328.416 0.931 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=NC(=O)N(C)C1 ZINC001089857468 763260560 /nfs/dbraw/zinc/26/05/60/763260560.db2.gz BKFJZJVNSJOGQJ-NHIYQJMISA-N 1 1 328.416 0.931 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@]2(C)CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001046885180 763297835 /nfs/dbraw/zinc/29/78/35/763297835.db2.gz CJDKWVGEBUZJEX-SUMWQHHRSA-N 1 1 331.420 0.638 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001030442147 763316298 /nfs/dbraw/zinc/31/62/98/763316298.db2.gz NLQFSEQYAJWVRQ-SJORKVTESA-N 1 1 348.491 0.837 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@]2(C)CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001046900192 763342600 /nfs/dbraw/zinc/34/26/00/763342600.db2.gz AZNWLYPNEWHGFI-VQIMIIECSA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OCC)n[nH]3)C2)C1=O ZINC001014889269 763378985 /nfs/dbraw/zinc/37/89/85/763378985.db2.gz NORZHMXBXOEWHV-GXTWGEPZSA-N 1 1 347.419 0.399 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(OCC)n[nH]3)C2)C1=O ZINC001014889269 763378992 /nfs/dbraw/zinc/37/89/92/763378992.db2.gz NORZHMXBXOEWHV-GXTWGEPZSA-N 1 1 347.419 0.399 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001046926045 763397933 /nfs/dbraw/zinc/39/79/33/763397933.db2.gz LWCPDZUEVIGUAH-LBPRGKRZSA-N 1 1 325.363 0.834 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001046926045 763397942 /nfs/dbraw/zinc/39/79/42/763397942.db2.gz LWCPDZUEVIGUAH-LBPRGKRZSA-N 1 1 325.363 0.834 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001046943315 763432024 /nfs/dbraw/zinc/43/20/24/763432024.db2.gz FDLJGHWQFZANKJ-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001046943315 763432029 /nfs/dbraw/zinc/43/20/29/763432029.db2.gz FDLJGHWQFZANKJ-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C3CC3)n2C)C1 ZINC001030462204 763436576 /nfs/dbraw/zinc/43/65/76/763436576.db2.gz LIKLNJOTTPNTCM-HNNXBMFYSA-N 1 1 342.447 0.091 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C3CC3)n2C)C1 ZINC001030462204 763436578 /nfs/dbraw/zinc/43/65/78/763436578.db2.gz LIKLNJOTTPNTCM-HNNXBMFYSA-N 1 1 342.447 0.091 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCCC[C@@H]2C)C1 ZINC001030462217 763436719 /nfs/dbraw/zinc/43/67/19/763436719.db2.gz LZEVWDJWBOGZJF-RDJZCZTQSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCCC[C@@H]2C)C1 ZINC001030462217 763436722 /nfs/dbraw/zinc/43/67/22/763436722.db2.gz LZEVWDJWBOGZJF-RDJZCZTQSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(C(C)C)n2)C1 ZINC001030462356 763437900 /nfs/dbraw/zinc/43/79/00/763437900.db2.gz SHEDRVYTFYTYLJ-AWEZNQCLSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(C(C)C)n2)C1 ZINC001030462356 763437907 /nfs/dbraw/zinc/43/79/07/763437907.db2.gz SHEDRVYTFYTYLJ-AWEZNQCLSA-N 1 1 331.420 0.591 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046947196 763439867 /nfs/dbraw/zinc/43/98/67/763439867.db2.gz JIWKNRGBOBMATA-LBPRGKRZSA-N 1 1 338.358 0.491 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046947196 763439873 /nfs/dbraw/zinc/43/98/73/763439873.db2.gz JIWKNRGBOBMATA-LBPRGKRZSA-N 1 1 338.358 0.491 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(CC(C)C)n2)C1 ZINC001030462952 763451402 /nfs/dbraw/zinc/45/14/02/763451402.db2.gz BIODBPGUJDBPBE-HNNXBMFYSA-N 1 1 345.447 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(CC(C)C)n2)C1 ZINC001030462952 763451405 /nfs/dbraw/zinc/45/14/05/763451405.db2.gz BIODBPGUJDBPBE-HNNXBMFYSA-N 1 1 345.447 0.666 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CCO[C@H]2CC2(F)F)C1 ZINC001030464007 763455083 /nfs/dbraw/zinc/45/50/83/763455083.db2.gz DFHHCPOQJQKDGN-KBPBESRZSA-N 1 1 327.375 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCO[C@H]2CC2(F)F)C1 ZINC001030464007 763455087 /nfs/dbraw/zinc/45/50/87/763455087.db2.gz DFHHCPOQJQKDGN-KBPBESRZSA-N 1 1 327.375 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ncc(Cl)n2C)C1 ZINC001030464068 763455891 /nfs/dbraw/zinc/45/58/91/763455891.db2.gz FTZWEBLTIVHOHM-ZDUSSCGKSA-N 1 1 335.839 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ncc(Cl)n2C)C1 ZINC001030464068 763455896 /nfs/dbraw/zinc/45/58/96/763455896.db2.gz FTZWEBLTIVHOHM-ZDUSSCGKSA-N 1 1 335.839 0.472 20 30 ECEDMO N#Cc1cncc(NC[C@H](O)CNC(=O)[C@H]2CCCc3[nH+]ccn32)n1 ZINC001105994546 763466714 /nfs/dbraw/zinc/46/67/14/763466714.db2.gz BRGUYFUOISXHNP-QWHCGFSZSA-N 1 1 341.375 0.011 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031901868 763467977 /nfs/dbraw/zinc/46/79/77/763467977.db2.gz UOJFGQWPUYBHLS-INIZCTEOSA-N 1 1 326.400 0.727 20 30 ECEDMO C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046964173 763475742 /nfs/dbraw/zinc/47/57/42/763475742.db2.gz NBNOKVHIQINBNG-CABCVRRESA-N 1 1 343.418 0.802 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001046964874 763476978 /nfs/dbraw/zinc/47/69/78/763476978.db2.gz YVDAIMZBQJSZBF-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCC2(F)F)nn1 ZINC001046981199 763501719 /nfs/dbraw/zinc/50/17/19/763501719.db2.gz VYIBJHURGIIVLT-GFCCVEGCSA-N 1 1 343.378 0.534 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046981906 763504652 /nfs/dbraw/zinc/50/46/52/763504652.db2.gz IWVPDYBHOVKODD-LBPRGKRZSA-N 1 1 341.358 0.136 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046981906 763504658 /nfs/dbraw/zinc/50/46/58/763504658.db2.gz IWVPDYBHOVKODD-LBPRGKRZSA-N 1 1 341.358 0.136 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001046997893 763539847 /nfs/dbraw/zinc/53/98/47/763539847.db2.gz FAKQPXOSRAUSKD-OLZOCXBDSA-N 1 1 342.390 0.626 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001046997893 763539854 /nfs/dbraw/zinc/53/98/54/763539854.db2.gz FAKQPXOSRAUSKD-OLZOCXBDSA-N 1 1 342.390 0.626 20 30 ECEDMO C[C@@H]1CN(C(=O)CC2CC2)CC2(CC[NH+](CC(=O)NCC#N)CC2)O1 ZINC001111531893 763557776 /nfs/dbraw/zinc/55/77/76/763557776.db2.gz KYNGPXFZWNASJX-CQSZACIVSA-N 1 1 348.447 0.508 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 ZINC001047023988 763564110 /nfs/dbraw/zinc/56/41/10/763564110.db2.gz WGKUODBKBOIKKX-BHPKHCPMSA-N 1 1 328.420 0.853 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 ZINC001047023743 763564219 /nfs/dbraw/zinc/56/42/19/763564219.db2.gz UILPVSLXNNGPGI-JURCDPSOSA-N 1 1 328.420 0.853 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC2CC2)C3)c[nH]1 ZINC001047053004 763597182 /nfs/dbraw/zinc/59/71/82/763597182.db2.gz PENSBOIIRXDNIJ-PJODQICGSA-N 1 1 341.415 0.748 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@H]1C ZINC001106322426 768147152 /nfs/dbraw/zinc/14/71/52/768147152.db2.gz OKAKLIBXTNKBAT-BZUAXINKSA-N 1 1 336.480 0.457 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C)nn3)C2)CC1 ZINC001052026489 763620042 /nfs/dbraw/zinc/62/00/42/763620042.db2.gz PRYMVOOGMQWPGG-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052030454 763629472 /nfs/dbraw/zinc/62/94/72/763629472.db2.gz OYDQLJLOKQWPNH-ZACQAIPSSA-N 1 1 332.448 0.710 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035304 763641838 /nfs/dbraw/zinc/64/18/38/763641838.db2.gz HIZLGOOBWCGZDD-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035304 763641844 /nfs/dbraw/zinc/64/18/44/763641844.db2.gz HIZLGOOBWCGZDD-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052035468 763642087 /nfs/dbraw/zinc/64/20/87/763642087.db2.gz JZKPJSUUKSOJKE-HNNXBMFYSA-N 1 1 327.432 0.295 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001052035603 763643415 /nfs/dbraw/zinc/64/34/15/763643415.db2.gz FFTTYURPOKMBKV-RTBURBONSA-N 1 1 346.519 0.816 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052036931 763651880 /nfs/dbraw/zinc/65/18/80/763651880.db2.gz YKKISOFULYTPDC-IAGOWNOFSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4c([nH]3)CCOC4)C2)CC1 ZINC001052036924 763652033 /nfs/dbraw/zinc/65/20/33/763652033.db2.gz YDMALSYBKSEERC-INIZCTEOSA-N 1 1 342.443 0.553 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)CC1 ZINC001052040793 763663760 /nfs/dbraw/zinc/66/37/60/763663760.db2.gz KUGMRZMAITZISU-MRXNPFEDSA-N 1 1 330.432 0.403 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)CC1 ZINC001052040793 763663761 /nfs/dbraw/zinc/66/37/61/763663761.db2.gz KUGMRZMAITZISU-MRXNPFEDSA-N 1 1 330.432 0.403 20 30 ECEDMO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)CC1 ZINC001052041284 763666852 /nfs/dbraw/zinc/66/68/52/763666852.db2.gz XZAPMEVSHINNCX-QGZVFWFLSA-N 1 1 344.459 0.794 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045415 763682329 /nfs/dbraw/zinc/68/23/29/763682329.db2.gz SHGRUZPRDQVJFU-MRXNPFEDSA-N 1 1 335.427 0.871 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 ZINC001106010607 763689568 /nfs/dbraw/zinc/68/95/68/763689568.db2.gz CAWCCVSZWSQWDO-CYBMUJFWSA-N 1 1 334.424 0.276 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052051834 763712672 /nfs/dbraw/zinc/71/26/72/763712672.db2.gz CXYUZOWPSHYRMU-MRXNPFEDSA-N 1 1 330.432 0.734 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052051834 763712676 /nfs/dbraw/zinc/71/26/76/763712676.db2.gz CXYUZOWPSHYRMU-MRXNPFEDSA-N 1 1 330.432 0.734 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052052648 763717059 /nfs/dbraw/zinc/71/70/59/763717059.db2.gz SQJUFMITZUMELI-OAHLLOKOSA-N 1 1 329.404 0.072 20 30 ECEDMO Cn1ccnc1CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052055601 763724900 /nfs/dbraw/zinc/72/49/00/763724900.db2.gz ANOBTVRVHDQUQC-OAHLLOKOSA-N 1 1 330.436 0.095 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)CC1 ZINC001052060280 763739585 /nfs/dbraw/zinc/73/95/85/763739585.db2.gz BLLUAJBRPVVHLV-OAHLLOKOSA-N 1 1 345.447 0.817 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)CC1 ZINC001052060280 763739589 /nfs/dbraw/zinc/73/95/89/763739589.db2.gz BLLUAJBRPVVHLV-OAHLLOKOSA-N 1 1 345.447 0.817 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)CC1 ZINC001052068339 763762006 /nfs/dbraw/zinc/76/20/06/763762006.db2.gz GEIKLIPZGCSKLA-SJORKVTESA-N 1 1 346.475 0.238 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ncccc3F)C2)CC1 ZINC001052070028 763767155 /nfs/dbraw/zinc/76/71/55/763767155.db2.gz BBCUVIOSENNOHU-HNNXBMFYSA-N 1 1 330.407 0.615 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccc(=O)[nH]c3)C2)CC1 ZINC001052070628 763769371 /nfs/dbraw/zinc/76/93/71/763769371.db2.gz KIIKICJTDYSIOG-INIZCTEOSA-N 1 1 343.431 0.462 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)CC1 ZINC001052081643 763798656 /nfs/dbraw/zinc/79/86/56/763798656.db2.gz DCENQAAGCKEWJT-XHSDSOJGSA-N 1 1 334.464 0.115 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)CC1 ZINC001052081643 763798666 /nfs/dbraw/zinc/79/86/66/763798666.db2.gz DCENQAAGCKEWJT-XHSDSOJGSA-N 1 1 334.464 0.115 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081457 763799239 /nfs/dbraw/zinc/79/92/39/763799239.db2.gz BQHNFTIKSOFSMF-ZWKOTPCHSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)C2)CC1 ZINC001052082486 763802110 /nfs/dbraw/zinc/80/21/10/763802110.db2.gz SWPXDTUFXHKJEM-HZPDHXFCSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3Cc4ccncc4C3)C2)CC1 ZINC001052083113 763803912 /nfs/dbraw/zinc/80/39/12/763803912.db2.gz JMIVEIVYUCUCBI-MJGOQNOKSA-N 1 1 338.455 0.648 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052089637 763824347 /nfs/dbraw/zinc/82/43/47/763824347.db2.gz SDLHPTJLHIKUEU-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C2)CC1 ZINC001052092816 763834735 /nfs/dbraw/zinc/83/47/35/763834735.db2.gz FACWVLUKNRMKDV-OAHLLOKOSA-N 1 1 347.467 0.201 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C2)CC1 ZINC001052092816 763834741 /nfs/dbraw/zinc/83/47/41/763834741.db2.gz FACWVLUKNRMKDV-OAHLLOKOSA-N 1 1 347.467 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)nc1 ZINC000995169525 763851069 /nfs/dbraw/zinc/85/10/69/763851069.db2.gz UNXXPOGXCGXFMB-ZIAGYGMSSA-N 1 1 339.403 0.275 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H](C)n3cccn3)C2)CC1 ZINC001052103082 763868586 /nfs/dbraw/zinc/86/85/86/763868586.db2.gz LBERIBKUGNKKJP-IRXDYDNUSA-N 1 1 329.448 0.686 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 ZINC001106026704 763874276 /nfs/dbraw/zinc/87/42/76/763874276.db2.gz PHDUJNYQPOIUAW-AWEZNQCLSA-N 1 1 328.376 0.356 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4c3CCCC4)C2)CC1 ZINC001052105823 763877633 /nfs/dbraw/zinc/87/76/33/763877633.db2.gz QWCIBLMTGUKDKJ-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3ccccc3F)C2)CC1 ZINC001052113715 763913789 /nfs/dbraw/zinc/91/37/89/763913789.db2.gz APOKINQDORCYDX-OAHLLOKOSA-N 1 1 346.406 0.947 20 30 ECEDMO Cc1nc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cs1 ZINC001052114809 763917916 /nfs/dbraw/zinc/91/79/16/763917916.db2.gz PZXVIUSMOJASOI-HNNXBMFYSA-N 1 1 333.461 0.736 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCS1(=O)=O ZINC001017600211 768176408 /nfs/dbraw/zinc/17/64/08/768176408.db2.gz IBUOUOIWTDDPSK-OKILXGFUSA-N 1 1 327.450 0.273 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCn3cc(C)cn3)C2)CC1 ZINC001052122060 763944971 /nfs/dbraw/zinc/94/49/71/763944971.db2.gz LXLMKCKJBFTLCR-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CN(C)c3ccccc3)C2)CC1 ZINC001052122713 763947453 /nfs/dbraw/zinc/94/74/53/763947453.db2.gz YTSVMIDQFJAIHG-IBGZPJMESA-N 1 1 340.471 0.975 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001047310620 763951446 /nfs/dbraw/zinc/95/14/46/763951446.db2.gz VVQBXMITJPBSPH-MELADBBJSA-N 1 1 328.420 0.997 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)C1CCOCC1 ZINC001052126150 763954929 /nfs/dbraw/zinc/95/49/29/763954929.db2.gz IWGWYIWWGWGPSA-WBVHZDCISA-N 1 1 334.464 0.791 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)N3CCOCC3)C2)CC1 ZINC001052130571 763962144 /nfs/dbraw/zinc/96/21/44/763962144.db2.gz XZTDLGNAZQSFSA-DLBZAZTESA-N 1 1 336.480 0.112 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)N3CCOCC3)C2)CC1 ZINC001052130571 763962147 /nfs/dbraw/zinc/96/21/47/763962147.db2.gz XZTDLGNAZQSFSA-DLBZAZTESA-N 1 1 336.480 0.112 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001052206359 764052217 /nfs/dbraw/zinc/05/22/17/764052217.db2.gz GREPTCFYKIOVPM-LSDHHAIUSA-N 1 1 325.453 0.740 20 30 ECEDMO Cc1noc(C)c1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047353236 764086834 /nfs/dbraw/zinc/08/68/34/764086834.db2.gz FGJCYEOLRUPCSR-HOTGVXAUSA-N 1 1 343.387 0.809 20 30 ECEDMO Cc1noc(C)c1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047353236 764086844 /nfs/dbraw/zinc/08/68/44/764086844.db2.gz FGJCYEOLRUPCSR-HOTGVXAUSA-N 1 1 343.387 0.809 20 30 ECEDMO CO[C@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1)C1CCC1 ZINC001047353166 764087309 /nfs/dbraw/zinc/08/73/09/764087309.db2.gz BSGMDUWMUYXJDB-YESZJQIVSA-N 1 1 346.431 0.819 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnn3C)CC2)C1=O ZINC001052243985 764122559 /nfs/dbraw/zinc/12/25/59/764122559.db2.gz DXKQFUNTZSDMSU-GDBMZVCRSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3ccon3)CC2)C1=O ZINC001052260950 764149369 /nfs/dbraw/zinc/14/93/69/764149369.db2.gz QYGISCLAXOWUIG-GOEBONIOSA-N 1 1 346.431 0.975 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001047380114 764168783 /nfs/dbraw/zinc/16/87/83/764168783.db2.gz ZYLNGNADKTZTCW-COXVUDFISA-N 1 1 348.447 0.539 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC2CCC2)C1 ZINC001047381341 764171561 /nfs/dbraw/zinc/17/15/61/764171561.db2.gz JOJBBIGDPGUTSU-IRXDYDNUSA-N 1 1 330.432 0.824 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC2CCC2)C1 ZINC001047381341 764171565 /nfs/dbraw/zinc/17/15/65/764171565.db2.gz JOJBBIGDPGUTSU-IRXDYDNUSA-N 1 1 330.432 0.824 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCN(C)C3=O)C2)cc1 ZINC001032031033 764207228 /nfs/dbraw/zinc/20/72/28/764207228.db2.gz OZLXQHSICMXTFE-QGZVFWFLSA-N 1 1 341.411 0.591 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(COC)on3)C2)C1=O ZINC001032031705 764210984 /nfs/dbraw/zinc/21/09/84/764210984.db2.gz SPQHPRJFXXWILU-OAHLLOKOSA-N 1 1 348.403 0.270 20 30 ECEDMO C=CCOCC(=O)NCC[NH2+]Cc1nnnn1-c1ccc(OC)cc1 ZINC001124768114 764229508 /nfs/dbraw/zinc/22/95/08/764229508.db2.gz UCJUNWCTSMDBJK-UHFFFAOYSA-N 1 1 346.391 0.079 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001047403134 764229991 /nfs/dbraw/zinc/22/99/91/764229991.db2.gz ATJUNHOMKCQEQQ-SQNIBIBYSA-N 1 1 328.412 0.862 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001047403134 764229996 /nfs/dbraw/zinc/22/99/96/764229996.db2.gz ATJUNHOMKCQEQQ-SQNIBIBYSA-N 1 1 328.412 0.862 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052319042 764242089 /nfs/dbraw/zinc/24/20/89/764242089.db2.gz QFUFXDJAVKRGGI-TZMCWYRMSA-N 1 1 331.420 0.947 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001047407891 764251583 /nfs/dbraw/zinc/25/15/83/764251583.db2.gz PXBIARCCQARLEQ-STQMWFEESA-N 1 1 345.403 0.367 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001047408394 764252753 /nfs/dbraw/zinc/25/27/53/764252753.db2.gz VZPVEEVJCZOOHL-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001047408394 764252754 /nfs/dbraw/zinc/25/27/54/764252754.db2.gz VZPVEEVJCZOOHL-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001089868815 764265630 /nfs/dbraw/zinc/26/56/30/764265630.db2.gz UHRDCPIZFJUGIZ-JFILPPLUSA-N 1 1 326.400 0.529 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001060394332 764280087 /nfs/dbraw/zinc/28/00/87/764280087.db2.gz BKAQZQGVSMBQCM-MRXNPFEDSA-N 1 1 337.464 0.723 20 30 ECEDMO C=CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000995275144 764282928 /nfs/dbraw/zinc/28/29/28/764282928.db2.gz SSJDQFTWBMRVPV-HOTGVXAUSA-N 1 1 343.431 0.600 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC(F)(F)F)C1 ZINC001047419301 764288888 /nfs/dbraw/zinc/28/88/88/764288888.db2.gz YDWHPEWSDQJTRH-STQMWFEESA-N 1 1 344.337 0.586 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC(F)(F)F)C1 ZINC001047419301 764288896 /nfs/dbraw/zinc/28/88/96/764288896.db2.gz YDWHPEWSDQJTRH-STQMWFEESA-N 1 1 344.337 0.586 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001060395196 764295511 /nfs/dbraw/zinc/29/55/11/764295511.db2.gz UZDWAXFOEHNFDL-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001047422348 764298047 /nfs/dbraw/zinc/29/80/47/764298047.db2.gz OFCDQJQGIVMBAU-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001047432675 764329739 /nfs/dbraw/zinc/32/97/39/764329739.db2.gz YVZGSGKHRJLOHH-HOTGVXAUSA-N 1 1 345.447 0.770 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)nc(OC)c2)C1 ZINC001047443837 764362876 /nfs/dbraw/zinc/36/28/76/764362876.db2.gz NNNQUJUGLGMZOX-KBPBESRZSA-N 1 1 333.388 0.239 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001077479257 764368283 /nfs/dbraw/zinc/36/82/83/764368283.db2.gz ZBLJOJCXFGCYDQ-FVQBIDKESA-N 1 1 327.384 0.297 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001047447053 764373328 /nfs/dbraw/zinc/37/33/28/764373328.db2.gz JPJGFSMAOIONDZ-WMZOPIPTSA-N 1 1 339.395 0.669 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001047447053 764373333 /nfs/dbraw/zinc/37/33/33/764373333.db2.gz JPJGFSMAOIONDZ-WMZOPIPTSA-N 1 1 339.395 0.669 20 30 ECEDMO C=C(Cl)CN1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015334993 764394873 /nfs/dbraw/zinc/39/48/73/764394873.db2.gz SFSVOYFJJNXLLA-MYMJJRTCSA-N 1 1 325.840 0.793 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncc3cccnc32)C1 ZINC001047459657 764410948 /nfs/dbraw/zinc/41/09/48/764410948.db2.gz BBSVDWQWTKWAKQ-GJZGRUSLSA-N 1 1 329.404 0.511 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001047460537 764413531 /nfs/dbraw/zinc/41/35/31/764413531.db2.gz KGQKBUWLBGOUOE-HOTGVXAUSA-N 1 1 343.431 0.819 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001047460736 764413676 /nfs/dbraw/zinc/41/36/76/764413676.db2.gz OUGZCKRUOFILMU-KBPBESRZSA-N 1 1 330.392 0.057 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001047464856 764422670 /nfs/dbraw/zinc/42/26/70/764422670.db2.gz LUTNETPFEXMVCZ-STQMWFEESA-N 1 1 333.388 0.259 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001047464856 764422674 /nfs/dbraw/zinc/42/26/74/764422674.db2.gz LUTNETPFEXMVCZ-STQMWFEESA-N 1 1 333.388 0.259 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CCCC)C1 ZINC001047471017 764436450 /nfs/dbraw/zinc/43/64/50/764436450.db2.gz HOLQPMURNIYEBI-ULQDDVLXSA-N 1 1 339.480 0.567 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001047473637 764445328 /nfs/dbraw/zinc/44/53/28/764445328.db2.gz WIGRBXZSZGAXKQ-QEJZJMRPSA-N 1 1 334.420 0.607 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001047479587 764466178 /nfs/dbraw/zinc/46/61/78/764466178.db2.gz RWQQKELNEGLNLJ-GJZGRUSLSA-N 1 1 342.403 0.356 20 30 ECEDMO CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047500270 764521816 /nfs/dbraw/zinc/52/18/16/764521816.db2.gz BOWWAEFTDSMJMH-ULQDDVLXSA-N 1 1 334.464 0.811 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH]c3cnccc23)C1 ZINC001047501809 764529687 /nfs/dbraw/zinc/52/96/87/764529687.db2.gz WFEDKMQGLQRKFA-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503528 764533804 /nfs/dbraw/zinc/53/38/04/764533804.db2.gz GROAHNKKSRZARC-RDBSUJKOSA-N 1 1 349.397 0.950 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001052457298 764540916 /nfs/dbraw/zinc/54/09/16/764540916.db2.gz QXTSOCNHOHCHPF-WBVHZDCISA-N 1 1 346.475 0.333 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)[C@@H](O)C1 ZINC001083780617 764542471 /nfs/dbraw/zinc/54/24/71/764542471.db2.gz DWNNHUILKSHSNW-UAGQMJEPSA-N 1 1 332.448 0.881 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2O)CC1 ZINC001047512919 764556928 /nfs/dbraw/zinc/55/69/28/764556928.db2.gz XOODLJUKMPTVEF-IKGGRYGDSA-N 1 1 349.475 0.857 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2O)CC1 ZINC001047512919 764556933 /nfs/dbraw/zinc/55/69/33/764556933.db2.gz XOODLJUKMPTVEF-IKGGRYGDSA-N 1 1 349.475 0.857 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2O)C1 ZINC001047519629 764573993 /nfs/dbraw/zinc/57/39/93/764573993.db2.gz JXKSOGMEIYRUBF-JYJNAYRXSA-N 1 1 349.475 0.763 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(CC=C)nn1 ZINC001089874501 764590747 /nfs/dbraw/zinc/59/07/47/764590747.db2.gz HRXZGTRTGCFLSJ-MPTYRVRUSA-N 1 1 325.416 0.880 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001032114683 764619619 /nfs/dbraw/zinc/61/96/19/764619619.db2.gz JQUULLMAROVXEJ-AWEZNQCLSA-N 1 1 344.415 0.587 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1C[NH+]([C@@H](CC)C(N)=O)C1 ZINC001032115047 764627947 /nfs/dbraw/zinc/62/79/47/764627947.db2.gz PHWVBTWZFQZOFA-ZDUSSCGKSA-N 1 1 332.404 0.572 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001032115342 764629191 /nfs/dbraw/zinc/62/91/91/764629191.db2.gz WFMOFQWGAQYJIP-CQSZACIVSA-N 1 1 344.415 0.539 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nc2ncccn2n1 ZINC001089878614 764630649 /nfs/dbraw/zinc/63/06/49/764630649.db2.gz PPQVBMLIOYGQQG-XQLPTFJDSA-N 1 1 336.399 0.540 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001047544348 764647432 /nfs/dbraw/zinc/64/74/32/764647432.db2.gz VYMHOQQQJYZGOC-KBPBESRZSA-N 1 1 337.445 0.687 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001047544348 764647439 /nfs/dbraw/zinc/64/74/39/764647439.db2.gz VYMHOQQQJYZGOC-KBPBESRZSA-N 1 1 337.445 0.687 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(N3CCOCC3)CCCC2)C1 ZINC001047552682 764672197 /nfs/dbraw/zinc/67/21/97/764672197.db2.gz RCBPPPVMNQPEPF-HOTGVXAUSA-N 1 1 337.464 0.321 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(N3CCOCC3)CCCC2)C1 ZINC001047552682 764672201 /nfs/dbraw/zinc/67/22/01/764672201.db2.gz RCBPPPVMNQPEPF-HOTGVXAUSA-N 1 1 337.464 0.321 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)nn1 ZINC001047554460 764681339 /nfs/dbraw/zinc/68/13/39/764681339.db2.gz WUEMOCDMXWVZCS-KBMXLJTQSA-N 1 1 349.435 0.008 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)[C@H]2C[N@@H+]([C@@H](C)COC)C[C@@H]2O)cc1 ZINC001047555648 764685299 /nfs/dbraw/zinc/68/52/99/764685299.db2.gz KHBCUNIPKSFJDN-WBAXXEDZSA-N 1 1 346.427 0.851 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OCC#C)cc2)C1 ZINC001047556990 764686637 /nfs/dbraw/zinc/68/66/37/764686637.db2.gz ZHLVZERZFXWOBK-ROUUACIJSA-N 1 1 326.396 0.839 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]ncc2Br)C1 ZINC001047567865 764713832 /nfs/dbraw/zinc/71/38/32/764713832.db2.gz ZATFCVDBTUXYMX-QWRGUYRKSA-N 1 1 343.225 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC001052541254 764716920 /nfs/dbraw/zinc/71/69/20/764716920.db2.gz TWDDJSLLMIWHME-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1OC ZINC001212193965 764758989 /nfs/dbraw/zinc/75/89/89/764758989.db2.gz LTSUTXOPSKDSMY-JFIYKMOQSA-N 1 1 340.464 0.946 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1OC ZINC001212194143 764761023 /nfs/dbraw/zinc/76/10/23/764761023.db2.gz PBCYGUSAMJYRHU-BFYDXBDKSA-N 1 1 328.453 0.946 20 30 ECEDMO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001060409294 764762423 /nfs/dbraw/zinc/76/24/23/764762423.db2.gz YVQFQSLIBSTYCJ-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001052563703 764766298 /nfs/dbraw/zinc/76/62/98/764766298.db2.gz WDFDLTLHLUAXJG-CQSZACIVSA-N 1 1 327.450 0.016 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001032136860 764788670 /nfs/dbraw/zinc/78/86/70/764788670.db2.gz JLSLWEQIXWNCRN-LBPRGKRZSA-N 1 1 326.400 0.392 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ccccn3c2F)C1 ZINC001047588648 764792324 /nfs/dbraw/zinc/79/23/24/764792324.db2.gz ZPMUAAFBZDCZQP-STQMWFEESA-N 1 1 330.363 0.614 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001047590767 764800577 /nfs/dbraw/zinc/80/05/77/764800577.db2.gz JGYORXVBWHJCOA-HOTGVXAUSA-N 1 1 347.415 0.553 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047592209 764807003 /nfs/dbraw/zinc/80/70/03/764807003.db2.gz GZVIBOUJOVFPKP-KBPBESRZSA-N 1 1 335.404 0.146 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1C ZINC001089035445 764847689 /nfs/dbraw/zinc/84/76/89/764847689.db2.gz AYQKMXKBZZJYTP-CABCVRRESA-N 1 1 343.493 0.262 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001015514375 764851965 /nfs/dbraw/zinc/85/19/65/764851965.db2.gz QEQWSPYVLUTYTJ-HZPDHXFCSA-N 1 1 326.400 0.252 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001015514375 764851972 /nfs/dbraw/zinc/85/19/72/764851972.db2.gz QEQWSPYVLUTYTJ-HZPDHXFCSA-N 1 1 326.400 0.252 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001015530588 764898818 /nfs/dbraw/zinc/89/88/18/764898818.db2.gz LWAUYJBNZIXAMR-HOTGVXAUSA-N 1 1 326.400 0.870 20 30 ECEDMO C=CCCOCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001052641101 764917632 /nfs/dbraw/zinc/91/76/32/764917632.db2.gz KVGIWVOBVYRHST-HOCLYGCPSA-N 1 1 348.447 0.995 20 30 ECEDMO C=CCCOCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001052641099 764917646 /nfs/dbraw/zinc/91/76/46/764917646.db2.gz KVGIWVOBVYRHST-GDBMZVCRSA-N 1 1 348.447 0.995 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001047628106 764926961 /nfs/dbraw/zinc/92/69/61/764926961.db2.gz CDBJPESBPZXMDK-HOTGVXAUSA-N 1 1 331.416 0.969 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001047628864 764929871 /nfs/dbraw/zinc/92/98/71/764929871.db2.gz MBJIQQBIVAMATN-GJZGRUSLSA-N 1 1 327.388 0.407 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)CC1 ZINC001052660228 764951776 /nfs/dbraw/zinc/95/17/76/764951776.db2.gz UYNXKUBDJNIUQH-CABCVRRESA-N 1 1 329.448 0.914 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)CC2)c1 ZINC001052695019 764997932 /nfs/dbraw/zinc/99/79/32/764997932.db2.gz FPEOIZAHNCOLAO-HOTGVXAUSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)nn1 ZINC001098775307 765014023 /nfs/dbraw/zinc/01/40/23/765014023.db2.gz XUGQSOMPBVYDGS-INIZCTEOSA-N 1 1 332.452 0.506 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001098775307 765014031 /nfs/dbraw/zinc/01/40/31/765014031.db2.gz XUGQSOMPBVYDGS-INIZCTEOSA-N 1 1 332.452 0.506 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001052761635 765077512 /nfs/dbraw/zinc/07/75/12/765077512.db2.gz QWQJTZRUESAHRJ-CQSZACIVSA-N 1 1 344.419 0.438 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)CC2)nn1 ZINC001052777608 765103150 /nfs/dbraw/zinc/10/31/50/765103150.db2.gz DMTULJQDGZUJCV-ZIAGYGMSSA-N 1 1 348.451 0.573 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC)CC2)nn1 ZINC001052778855 765105089 /nfs/dbraw/zinc/10/50/89/765105089.db2.gz SQDFFCZTBDWNRJ-CYBMUJFWSA-N 1 1 334.424 0.185 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC001052793593 765133152 /nfs/dbraw/zinc/13/31/52/765133152.db2.gz BUWVASBNJQAHQO-CQSZACIVSA-N 1 1 341.415 0.939 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)c1 ZINC001015679868 765151308 /nfs/dbraw/zinc/15/13/08/765151308.db2.gz OCYIZAOUQJKMSZ-IAGOWNOFSA-N 1 1 339.399 0.125 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CCNC1=O ZINC001015696191 765179243 /nfs/dbraw/zinc/17/92/43/765179243.db2.gz WNRNWLKHYVITNB-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CCNC1=O ZINC001015696191 765179246 /nfs/dbraw/zinc/17/92/46/765179246.db2.gz WNRNWLKHYVITNB-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001015698381 765183949 /nfs/dbraw/zinc/18/39/49/765183949.db2.gz KDBYCLDEERZFRF-OWCLPIDISA-N 1 1 335.448 0.923 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)C2)c1 ZINC001015713903 765218608 /nfs/dbraw/zinc/21/86/08/765218608.db2.gz SQKGCOHROOJZIY-AWEZNQCLSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)C2)c1 ZINC001015713903 765218612 /nfs/dbraw/zinc/21/86/12/765218612.db2.gz SQKGCOHROOJZIY-AWEZNQCLSA-N 1 1 337.383 0.990 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC001052849512 765224577 /nfs/dbraw/zinc/22/45/77/765224577.db2.gz WZCCVVGBXAEERT-AWEZNQCLSA-N 1 1 333.436 0.538 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000992038443 765246025 /nfs/dbraw/zinc/24/60/25/765246025.db2.gz VWUOWDHVRFANEP-JYJNAYRXSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)C1=O ZINC001015745423 765263148 /nfs/dbraw/zinc/26/31/48/765263148.db2.gz YJRUYELSSJYYFN-CJNGLKHVSA-N 1 1 343.431 0.878 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)C1=O ZINC001015745423 765263159 /nfs/dbraw/zinc/26/31/59/765263159.db2.gz YJRUYELSSJYYFN-CJNGLKHVSA-N 1 1 343.431 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cn(C)nn3)CC2)nc1 ZINC001052873432 765271262 /nfs/dbraw/zinc/27/12/62/765271262.db2.gz CUMSEBIWWWENCT-HNNXBMFYSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cn(C)nn3)CC2)nc1 ZINC001052873432 765271268 /nfs/dbraw/zinc/27/12/68/765271268.db2.gz CUMSEBIWWWENCT-HNNXBMFYSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)CC2)nc1 ZINC001052873509 765272338 /nfs/dbraw/zinc/27/23/38/765272338.db2.gz DUCXKIDGBKINGX-MRXNPFEDSA-N 1 1 338.415 0.939 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(C)[nH]c3=O)C2)C1=O ZINC001015757074 765273073 /nfs/dbraw/zinc/27/30/73/765273073.db2.gz FAOFWKQOEFQUPR-HIFRSBDPSA-N 1 1 344.415 0.687 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C)[nH]c3=O)C2)C1=O ZINC001015757074 765273076 /nfs/dbraw/zinc/27/30/76/765273076.db2.gz FAOFWKQOEFQUPR-HIFRSBDPSA-N 1 1 344.415 0.687 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000992066834 765347508 /nfs/dbraw/zinc/34/75/08/765347508.db2.gz JBOPFLNKYNVAKN-IMJJTQAJSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000992067499 765360181 /nfs/dbraw/zinc/36/01/81/765360181.db2.gz QQJAZSPXQSQGEL-GJYPPUQNSA-N 1 1 347.459 0.781 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000992071417 765366352 /nfs/dbraw/zinc/36/63/52/765366352.db2.gz PSGNZIOJPRGIAS-CABCVRRESA-N 1 1 332.404 0.500 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)nn1 ZINC001015809424 765366562 /nfs/dbraw/zinc/36/65/62/765366562.db2.gz AKBSQRJBBOREAO-STQMWFEESA-N 1 1 342.407 0.047 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCn3nc(C)cc3C)C2)nn1 ZINC001015810636 765369526 /nfs/dbraw/zinc/36/95/26/765369526.db2.gz OKHVQSOHGHRZCW-OAHLLOKOSA-N 1 1 343.435 0.782 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001015821670 765384578 /nfs/dbraw/zinc/38/45/78/765384578.db2.gz ZCYPHZUPGAWBOQ-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001015821670 765384587 /nfs/dbraw/zinc/38/45/87/765384587.db2.gz ZCYPHZUPGAWBOQ-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001015823711 765387901 /nfs/dbraw/zinc/38/79/01/765387901.db2.gz XSLCENBJNKYBHG-AWEZNQCLSA-N 1 1 334.424 0.336 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CCC(=O)N3)C2)s1 ZINC001015833987 765401987 /nfs/dbraw/zinc/40/19/87/765401987.db2.gz GHMZNWGALNATAF-VXGBXAGGSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCC(=O)N3)C2)s1 ZINC001015833987 765401990 /nfs/dbraw/zinc/40/19/90/765401990.db2.gz GHMZNWGALNATAF-VXGBXAGGSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)c1 ZINC001015834222 765402764 /nfs/dbraw/zinc/40/27/64/765402764.db2.gz ICDOYFZLIVCAKI-CVEARBPZSA-N 1 1 326.400 0.917 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C3(C)CCOCC3)C2)C1=O ZINC001015854848 765446423 /nfs/dbraw/zinc/44/64/23/765446423.db2.gz HJZTZSWLSJURHA-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C3(C)CCOCC3)C2)C1=O ZINC001015854848 765446426 /nfs/dbraw/zinc/44/64/26/765446426.db2.gz HJZTZSWLSJURHA-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC001053026271 765499888 /nfs/dbraw/zinc/49/98/88/765499888.db2.gz DYASMLVLZFKVDM-HZPDHXFCSA-N 1 1 330.436 0.647 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000992112515 765522781 /nfs/dbraw/zinc/52/27/81/765522781.db2.gz DIEARWASIMLGQZ-LXVYMNJGSA-N 1 1 329.404 0.463 20 30 ECEDMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001015907887 765527019 /nfs/dbraw/zinc/52/70/19/765527019.db2.gz LGNGJRXFVCKIKS-MRXNPFEDSA-N 1 1 336.395 0.969 20 30 ECEDMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001015907887 765527020 /nfs/dbraw/zinc/52/70/20/765527020.db2.gz LGNGJRXFVCKIKS-MRXNPFEDSA-N 1 1 336.395 0.969 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cnnn2)C1 ZINC001053069294 765543055 /nfs/dbraw/zinc/54/30/55/765543055.db2.gz ZDTNJULVSFWXTG-JKSUJKDBSA-N 1 1 330.436 0.790 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]nc3C3CC3)C2)C1=O ZINC001015932475 765574264 /nfs/dbraw/zinc/57/42/64/765574264.db2.gz WUQZESDYJNBVRZ-HIFRSBDPSA-N 1 1 343.431 0.878 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]nc3C3CC3)C2)C1=O ZINC001015932475 765574270 /nfs/dbraw/zinc/57/42/70/765574270.db2.gz WUQZESDYJNBVRZ-HIFRSBDPSA-N 1 1 343.431 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001053100453 765577759 /nfs/dbraw/zinc/57/77/59/765577759.db2.gz HBUKMXDIFMJWCG-HOCLYGCPSA-N 1 1 345.443 0.766 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)c1 ZINC001017704792 768309196 /nfs/dbraw/zinc/30/91/96/768309196.db2.gz OXSXBDIJJGCWAA-CALCHBBNSA-N 1 1 343.427 0.807 20 30 ECEDMO C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(C#N)[nH]1 ZINC001077496508 765666032 /nfs/dbraw/zinc/66/60/32/765666032.db2.gz AFUXWLJBUQTQDY-STQMWFEESA-N 1 1 331.420 0.853 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000992154530 765690264 /nfs/dbraw/zinc/69/02/64/765690264.db2.gz YLYAJLORSCTIFM-YQGLWYKZSA-N 1 1 343.431 0.851 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001016014063 765721169 /nfs/dbraw/zinc/72/11/69/765721169.db2.gz SSNDICOLBVDFJJ-HIFRSBDPSA-N 1 1 342.399 0.176 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001016014063 765721173 /nfs/dbraw/zinc/72/11/73/765721173.db2.gz SSNDICOLBVDFJJ-HIFRSBDPSA-N 1 1 342.399 0.176 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)cn1 ZINC001016015837 765721808 /nfs/dbraw/zinc/72/18/08/765721808.db2.gz HYYDLLZGWPZNAK-INIZCTEOSA-N 1 1 326.400 0.489 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001016021581 765726590 /nfs/dbraw/zinc/72/65/90/765726590.db2.gz YLMIJENNUZEKAR-OAHLLOKOSA-N 1 1 339.399 0.794 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC001016021689 765726825 /nfs/dbraw/zinc/72/68/25/765726825.db2.gz ZBQJJUUILAVENJ-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC001016021689 765726828 /nfs/dbraw/zinc/72/68/28/765726828.db2.gz ZBQJJUUILAVENJ-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)nc1 ZINC001016026749 765730340 /nfs/dbraw/zinc/73/03/40/765730340.db2.gz IOIRKEXLBSARSO-JKSUJKDBSA-N 1 1 340.427 0.783 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3c4n(c(=O)n3C)CCCC4)CCC[C@H]12 ZINC000992171982 765759146 /nfs/dbraw/zinc/75/91/46/765759146.db2.gz ZPYBGKBAWQOBBQ-KXBFYZLASA-N 1 1 342.443 0.883 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCOC3(C[NH+](C[C@@H]4CCOC4)C3)C2)c1 ZINC001053210363 765768396 /nfs/dbraw/zinc/76/83/96/765768396.db2.gz CPJYWFBWNWMGCX-ZDUSSCGKSA-N 1 1 330.388 0.450 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nnc4c3CCCC4)CCC[C@@H]12 ZINC000992174780 765772963 /nfs/dbraw/zinc/77/29/63/765772963.db2.gz SQFMYSPERQCVFW-AEFFLSMTSA-N 1 1 327.432 0.903 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@H]12 ZINC000992175976 765774989 /nfs/dbraw/zinc/77/49/89/765774989.db2.gz VNMOUYJTJWFPJP-ZWUHOBOKSA-N 1 1 341.839 0.885 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@H]12 ZINC000992175976 765774995 /nfs/dbraw/zinc/77/49/95/765774995.db2.gz VNMOUYJTJWFPJP-ZWUHOBOKSA-N 1 1 341.839 0.885 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCOC3(C[NH+](C[C@@H]4CCCOC4)C3)C2)[nH]1 ZINC001053223718 765786787 /nfs/dbraw/zinc/78/67/87/765786787.db2.gz GCLLZTIWRCPITP-AWEZNQCLSA-N 1 1 344.415 0.840 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn4cc[nH]c34)C2)C1=O ZINC001016107328 765788938 /nfs/dbraw/zinc/78/89/38/765788938.db2.gz DWFNSBUYYKSIBJ-OCCSQVGLSA-N 1 1 342.403 0.253 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnn4cc[nH]c34)C2)C1=O ZINC001016107328 765788942 /nfs/dbraw/zinc/78/89/42/765788942.db2.gz DWFNSBUYYKSIBJ-OCCSQVGLSA-N 1 1 342.403 0.253 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2cnc(F)cn2)C[C@H]1C ZINC001053227818 765795530 /nfs/dbraw/zinc/79/55/30/765795530.db2.gz NDILASBZUVTDQU-KFWWJZLASA-N 1 1 345.422 0.902 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2cnc(F)cn2)C[C@H]1C ZINC001053227818 765795537 /nfs/dbraw/zinc/79/55/37/765795537.db2.gz NDILASBZUVTDQU-KFWWJZLASA-N 1 1 345.422 0.902 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001016113046 765798051 /nfs/dbraw/zinc/79/80/51/765798051.db2.gz GLVRNSOEWAVVDH-YOEHRIQHSA-N 1 1 327.428 0.878 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001016113046 765798055 /nfs/dbraw/zinc/79/80/55/765798055.db2.gz GLVRNSOEWAVVDH-YOEHRIQHSA-N 1 1 327.428 0.878 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001099126194 765821769 /nfs/dbraw/zinc/82/17/69/765821769.db2.gz OWIMWYHAPNHNAD-OAHLLOKOSA-N 1 1 336.480 0.553 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)c1cc([C@@H]3CCC[N@H+]3C)[nH]n1)CCO2 ZINC001053263231 765863422 /nfs/dbraw/zinc/86/34/22/765863422.db2.gz JFOILRBVHYNROS-INIZCTEOSA-N 1 1 343.431 0.336 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)c1cc([C@@H]3CCC[N@@H+]3C)[nH]n1)CCO2 ZINC001053263231 765863428 /nfs/dbraw/zinc/86/34/28/765863428.db2.gz JFOILRBVHYNROS-INIZCTEOSA-N 1 1 343.431 0.336 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cn(C)cn2)C1 ZINC000992205363 765886126 /nfs/dbraw/zinc/88/61/26/765886126.db2.gz FKSMDLUNMQPNIF-XUJLQICISA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cn(C)cn2)C1 ZINC000992205363 765886133 /nfs/dbraw/zinc/88/61/33/765886133.db2.gz FKSMDLUNMQPNIF-XUJLQICISA-N 1 1 343.431 0.142 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCC1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000992218614 765948063 /nfs/dbraw/zinc/94/80/63/765948063.db2.gz ZONZNTZEEDSYRH-PXCJXSSVSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)CN1CC2(C1)CN(C(=O)c1cc(C[NH+](C)C)on1)CCO2 ZINC001053322164 765968989 /nfs/dbraw/zinc/96/89/89/765968989.db2.gz UNCIGZHDQXUYOQ-UHFFFAOYSA-N 1 1 334.420 0.839 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nnnn4CC3)CCC[C@H]12 ZINC000992249708 766050505 /nfs/dbraw/zinc/05/05/05/766050505.db2.gz NAPFVTVCLCOGPP-JKIFEVAISA-N 1 1 328.420 0.372 20 30 ECEDMO CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001017748319 768345181 /nfs/dbraw/zinc/34/51/81/768345181.db2.gz NYVUDGFTZZNDAE-FNYPPERVSA-N 1 1 329.444 0.548 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)CCO2 ZINC001053393039 766072865 /nfs/dbraw/zinc/07/28/65/766072865.db2.gz ISEJDJWXLIDESJ-MRXNPFEDSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CCO2 ZINC001053393039 766072869 /nfs/dbraw/zinc/07/28/69/766072869.db2.gz ISEJDJWXLIDESJ-MRXNPFEDSA-N 1 1 335.448 0.032 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000992263614 766094655 /nfs/dbraw/zinc/09/46/55/766094655.db2.gz NTEUGXPJZYNRER-QWFMPGPPSA-N 1 1 340.427 0.782 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001053429680 766119716 /nfs/dbraw/zinc/11/97/16/766119716.db2.gz UCPXPJOZMPPGII-OCCSQVGLSA-N 1 1 327.856 0.850 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nnnc3C(C)C)CCC[C@@H]12 ZINC000992307357 766226777 /nfs/dbraw/zinc/22/67/77/766226777.db2.gz RMTXNBIRYYUQIQ-PBHICJAKSA-N 1 1 330.436 0.933 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001017782647 768365863 /nfs/dbraw/zinc/36/58/63/768365863.db2.gz DEZLJSYXJJFDBS-BETUJISGSA-N 1 1 342.407 0.559 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001017782647 768365870 /nfs/dbraw/zinc/36/58/70/768365870.db2.gz DEZLJSYXJJFDBS-BETUJISGSA-N 1 1 342.407 0.559 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 ZINC000992337609 766308459 /nfs/dbraw/zinc/30/84/59/766308459.db2.gz QZMSIHNCYSLLIG-SUMWQHHRSA-N 1 1 334.420 0.618 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001099153522 766337274 /nfs/dbraw/zinc/33/72/74/766337274.db2.gz MHRIENDMLDVCOM-AWEZNQCLSA-N 1 1 333.436 0.212 20 30 ECEDMO CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248958 766364747 /nfs/dbraw/zinc/36/47/47/766364747.db2.gz RCJQTVLZVDGBGT-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248958 766364751 /nfs/dbraw/zinc/36/47/51/766364751.db2.gz RCJQTVLZVDGBGT-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001045786088 766369743 /nfs/dbraw/zinc/36/97/43/766369743.db2.gz YNOUGBMVKSFPAK-MRXNPFEDSA-N 1 1 325.453 0.618 20 30 ECEDMO CO[C@@H](C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)O2 ZINC001053587656 766379550 /nfs/dbraw/zinc/37/95/50/766379550.db2.gz HWESVDBMKXBEHS-GXTWGEPZSA-N 1 1 332.404 0.884 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCn3ccnc3C1)O2 ZINC001053618744 766447050 /nfs/dbraw/zinc/44/70/50/766447050.db2.gz DPWZPBKPDJZHFV-HOTGVXAUSA-N 1 1 342.443 0.818 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001031684661 766457159 /nfs/dbraw/zinc/45/71/59/766457159.db2.gz XKCNONNWXHYYQG-GVDBMIGSSA-N 1 1 348.491 0.552 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@H]12 ZINC000992396625 766473608 /nfs/dbraw/zinc/47/36/08/766473608.db2.gz MZCOLKAKXANSMK-APPDUMDISA-N 1 1 346.387 0.647 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992397240 766475748 /nfs/dbraw/zinc/47/57/48/766475748.db2.gz OCKRRDMBASSTER-DYVFJYSZSA-N 1 1 332.404 0.017 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@H](C)C(=O)NC)CC3)cn1 ZINC000992409434 766509639 /nfs/dbraw/zinc/50/96/39/766509639.db2.gz MTHYZOGASAWZGK-NRXGSXMXSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001045938808 766511455 /nfs/dbraw/zinc/51/14/55/766511455.db2.gz LQSZZQJPHQZZHC-KRWDZBQOSA-N 1 1 346.435 0.268 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001045951042 766522658 /nfs/dbraw/zinc/52/26/58/766522658.db2.gz SAGGJLODISAURN-SFHVURJKSA-N 1 1 344.415 0.287 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C(=O)N1)C2 ZINC001045956605 766526834 /nfs/dbraw/zinc/52/68/34/766526834.db2.gz QNDXUFMSMWDOBY-CRAIPNDOSA-N 1 1 332.448 0.738 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)O2 ZINC001053663242 766535686 /nfs/dbraw/zinc/53/56/86/766535686.db2.gz KJVXVEHQHQPEAN-QLFBSQMISA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001045973996 766543338 /nfs/dbraw/zinc/54/33/38/766543338.db2.gz UCBQPJANTNGLDC-SFHVURJKSA-N 1 1 331.416 0.377 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@H]12 ZINC000992432244 766555683 /nfs/dbraw/zinc/55/56/83/766555683.db2.gz PZBQYEZIMOBLOR-BLLLJJGKSA-N 1 1 328.376 0.330 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001045984912 766556241 /nfs/dbraw/zinc/55/62/41/766556241.db2.gz KCIYOQNWLYGGHN-HOCLYGCPSA-N 1 1 339.461 0.016 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1C(=O)CCC1=O)C2 ZINC001045983948 766556409 /nfs/dbraw/zinc/55/64/09/766556409.db2.gz SRVAPLFNGFMZMQ-LJQANCHMSA-N 1 1 345.443 0.863 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c3c(nn1C)CCC3)O2 ZINC001053685837 766585081 /nfs/dbraw/zinc/58/50/81/766585081.db2.gz AEIPPCMKASIMRZ-CQSZACIVSA-N 1 1 342.443 0.895 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3n[nH]cc3C1)O2 ZINC001053686184 766585681 /nfs/dbraw/zinc/58/56/81/766585681.db2.gz JGKIEHATEYGADV-GDBMZVCRSA-N 1 1 342.443 0.888 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3snnc3C)CC2)C1 ZINC001046002708 766605309 /nfs/dbraw/zinc/60/53/09/766605309.db2.gz MMGKFHCFEYEZEE-CQSZACIVSA-N 1 1 333.461 0.702 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 ZINC001046006334 766615510 /nfs/dbraw/zinc/61/55/10/766615510.db2.gz JLKDKNYNYJYHRA-LSDHHAIUSA-N 1 1 343.855 0.373 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 ZINC001046006334 766615514 /nfs/dbraw/zinc/61/55/14/766615514.db2.gz JLKDKNYNYJYHRA-LSDHHAIUSA-N 1 1 343.855 0.373 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncnc3C)CC2)C1 ZINC001046006337 766615542 /nfs/dbraw/zinc/61/55/42/766615542.db2.gz JOYZHKYTHAUNSP-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001046011654 766636648 /nfs/dbraw/zinc/63/66/48/766636648.db2.gz FRXDDIWNKPMULK-CVEARBPZSA-N 1 1 330.436 0.261 20 30 ECEDMO Cc1cnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)cn1 ZINC001046013175 766641372 /nfs/dbraw/zinc/64/13/72/766641372.db2.gz UIKROKNIXZMGDZ-PBHICJAKSA-N 1 1 342.447 0.663 20 30 ECEDMO Cc1cnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)cn1 ZINC001046013175 766641377 /nfs/dbraw/zinc/64/13/77/766641377.db2.gz UIKROKNIXZMGDZ-PBHICJAKSA-N 1 1 342.447 0.663 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc(=O)[nH]3)CC2)C1 ZINC001046015032 766648376 /nfs/dbraw/zinc/64/83/76/766648376.db2.gz ISLMOUISKRTVMV-HNNXBMFYSA-N 1 1 328.416 0.643 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3nnc[nH]3)CC2)C1 ZINC001046018018 766655094 /nfs/dbraw/zinc/65/50/94/766655094.db2.gz SGNBTYYRYIUMPS-MRXNPFEDSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001046018018 766655101 /nfs/dbraw/zinc/65/51/01/766655101.db2.gz SGNBTYYRYIUMPS-MRXNPFEDSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001046018018 766655112 /nfs/dbraw/zinc/65/51/12/766655112.db2.gz SGNBTYYRYIUMPS-MRXNPFEDSA-N 1 1 346.479 0.922 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001212262211 766675839 /nfs/dbraw/zinc/67/58/39/766675839.db2.gz HFBSOQSHQOBZQN-CHWSQXEVSA-N 1 1 334.363 0.123 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001212262211 766675847 /nfs/dbraw/zinc/67/58/47/766675847.db2.gz HFBSOQSHQOBZQN-CHWSQXEVSA-N 1 1 334.363 0.123 20 30 ECEDMO O=C(C#CC1CC1)N1CCN([C@@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001046026929 766684745 /nfs/dbraw/zinc/68/47/45/766684745.db2.gz HHLZSVZVCVMALM-GOSISDBHSA-N 1 1 341.459 0.515 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046027422 766685665 /nfs/dbraw/zinc/68/56/65/766685665.db2.gz LXTTUMSWXBRRTI-KRWDZBQOSA-N 1 1 329.448 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2oc(CC)nc2C)C1 ZINC000994749483 766691228 /nfs/dbraw/zinc/69/12/28/766691228.db2.gz BKPRHLXBSJZDNR-AWEZNQCLSA-N 1 1 344.415 0.584 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2oc(CC)nc2C)C1 ZINC000994749483 766691231 /nfs/dbraw/zinc/69/12/31/766691231.db2.gz BKPRHLXBSJZDNR-AWEZNQCLSA-N 1 1 344.415 0.584 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C)n1 ZINC001089622234 766692630 /nfs/dbraw/zinc/69/26/30/766692630.db2.gz GKOCCBNVPVBFGH-CYBMUJFWSA-N 1 1 331.420 0.564 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CC(F)(F)C2)C1 ZINC000994751127 766696294 /nfs/dbraw/zinc/69/62/94/766696294.db2.gz NGJLPGVFZUXOGS-ZDUSSCGKSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CC(F)(F)C2)C1 ZINC000994751127 766696301 /nfs/dbraw/zinc/69/63/01/766696301.db2.gz NGJLPGVFZUXOGS-ZDUSSCGKSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCOCC2)C1 ZINC000994751038 766696427 /nfs/dbraw/zinc/69/64/27/766696427.db2.gz LRKORMLKQCRSID-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCOCC2)C1 ZINC000994751038 766696431 /nfs/dbraw/zinc/69/64/31/766696431.db2.gz LRKORMLKQCRSID-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001046030271 766697072 /nfs/dbraw/zinc/69/70/72/766697072.db2.gz NGWKNEFIINEHKN-OWCLPIDISA-N 1 1 334.464 0.306 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cc(C)no2)C1 ZINC001016670413 766698899 /nfs/dbraw/zinc/69/88/99/766698899.db2.gz ODYLMBIXOGNTGZ-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cc(C)no2)C1 ZINC001016670413 766698902 /nfs/dbraw/zinc/69/89/02/766698902.db2.gz ODYLMBIXOGNTGZ-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)c3ccnn3C)CC2)C1 ZINC001046031139 766699780 /nfs/dbraw/zinc/69/97/80/766699780.db2.gz KBCFTBCDIIPJSH-IAGOWNOFSA-N 1 1 343.475 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@H]2CCCO2)C1 ZINC001016670906 766700336 /nfs/dbraw/zinc/70/03/36/766700336.db2.gz WBSGSMXUXDLCNA-SSHXOBKSSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@H]2CCCO2)C1 ZINC001016670906 766700344 /nfs/dbraw/zinc/70/03/44/766700344.db2.gz WBSGSMXUXDLCNA-SSHXOBKSSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccccc2O)C1 ZINC000994752856 766704874 /nfs/dbraw/zinc/70/48/74/766704874.db2.gz WDEPUOKGQSMANC-HNNXBMFYSA-N 1 1 327.384 0.430 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccccc2O)C1 ZINC000994752856 766704878 /nfs/dbraw/zinc/70/48/78/766704878.db2.gz WDEPUOKGQSMANC-HNNXBMFYSA-N 1 1 327.384 0.430 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](OC)C2CCC2)C1 ZINC000994754545 766707471 /nfs/dbraw/zinc/70/74/71/766707471.db2.gz MMFMSECXYLGUPH-JKSUJKDBSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](OC)C2CCC2)C1 ZINC000994754545 766707475 /nfs/dbraw/zinc/70/74/75/766707475.db2.gz MMFMSECXYLGUPH-JKSUJKDBSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccncc2C)C1 ZINC000994753242 766709978 /nfs/dbraw/zinc/70/99/78/766709978.db2.gz XKDJMLJNWRVDJL-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccncc2C)C1 ZINC000994753242 766709981 /nfs/dbraw/zinc/70/99/81/766709981.db2.gz XKDJMLJNWRVDJL-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 ZINC001046033727 766711797 /nfs/dbraw/zinc/71/17/97/766711797.db2.gz JMUWDJDVCLUHLO-QGZVFWFLSA-N 1 1 341.459 0.685 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046034560 766714928 /nfs/dbraw/zinc/71/49/28/766714928.db2.gz VDAVCUPXXKLMJJ-AWEZNQCLSA-N 1 1 338.843 0.249 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046034560 766714933 /nfs/dbraw/zinc/71/49/33/766714933.db2.gz VDAVCUPXXKLMJJ-AWEZNQCLSA-N 1 1 338.843 0.249 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 ZINC001046035156 766718242 /nfs/dbraw/zinc/71/82/42/766718242.db2.gz FTICZMXKFPRTCP-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046035527 766720695 /nfs/dbraw/zinc/72/06/95/766720695.db2.gz OGEYQFIVCJKLLE-SJORKVTESA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc(C4CC4)nn3)CC2)C1 ZINC001046035950 766724684 /nfs/dbraw/zinc/72/46/84/766724684.db2.gz XDAFMVZOEDPWBS-MRXNPFEDSA-N 1 1 342.447 0.007 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046037033 766731402 /nfs/dbraw/zinc/73/14/02/766731402.db2.gz JSWKRTZMUSCWLC-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(=O)n(C)cn3)CC2)C1 ZINC001046037368 766733963 /nfs/dbraw/zinc/73/39/63/766733963.db2.gz XWWGEHVKZWOORS-HNNXBMFYSA-N 1 1 345.447 0.189 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1 ZINC001046037604 766735086 /nfs/dbraw/zinc/73/50/86/766735086.db2.gz UMISVPNHIWOJKX-AWEZNQCLSA-N 1 1 331.420 0.279 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1 ZINC001046037732 766735512 /nfs/dbraw/zinc/73/55/12/766735512.db2.gz XJPXYRVUMBWYLA-BRWVUGGUSA-N 1 1 341.459 0.755 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046037732 766735522 /nfs/dbraw/zinc/73/55/22/766735522.db2.gz XJPXYRVUMBWYLA-BRWVUGGUSA-N 1 1 341.459 0.755 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046037732 766735532 /nfs/dbraw/zinc/73/55/32/766735532.db2.gz XJPXYRVUMBWYLA-BRWVUGGUSA-N 1 1 341.459 0.755 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046039074 766740535 /nfs/dbraw/zinc/74/05/35/766740535.db2.gz RDFBYOYCLTYUJQ-QFBILLFUSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)C1 ZINC001046040169 766745694 /nfs/dbraw/zinc/74/56/94/766745694.db2.gz FWPREMLMEBDELK-AEFFLSMTSA-N 1 1 341.459 0.297 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046041237 766750577 /nfs/dbraw/zinc/75/05/77/766750577.db2.gz OXGACOYMDGBVSQ-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC001046041038 766750768 /nfs/dbraw/zinc/75/07/68/766750768.db2.gz NKCMBFUUQWUIOU-INIZCTEOSA-N 1 1 335.427 0.871 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)C1 ZINC001046041658 766752674 /nfs/dbraw/zinc/75/26/74/766752674.db2.gz LSCDFZPVZRXTEB-IEBWSBKVSA-N 1 1 339.439 0.842 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2CC)C[C@H]1OC ZINC001212264675 766752889 /nfs/dbraw/zinc/75/28/89/766752889.db2.gz NQQOZBQZVBLREN-YSVLISHTSA-N 1 1 349.431 0.899 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2CC)C[C@H]1OC ZINC001212264675 766752894 /nfs/dbraw/zinc/75/28/94/766752894.db2.gz NQQOZBQZVBLREN-YSVLISHTSA-N 1 1 349.431 0.899 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@@H]12 ZINC000992522120 766763103 /nfs/dbraw/zinc/76/31/03/766763103.db2.gz DIPNBZXSAIBIBS-RHSMWYFYSA-N 1 1 346.435 0.456 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3nc(C)cc3C)CC2)C1 ZINC001046044178 766766534 /nfs/dbraw/zinc/76/65/34/766766534.db2.gz JNWREWOVBDEHHD-SFHVURJKSA-N 1 1 343.475 0.742 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC001046047873 766779287 /nfs/dbraw/zinc/77/92/87/766779287.db2.gz ZRVVDPOQPHLUBN-LPHOPBHVSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)C1 ZINC001046049716 766783867 /nfs/dbraw/zinc/78/38/67/766783867.db2.gz WJLFVBWRSPVFFE-KRWDZBQOSA-N 1 1 343.475 0.431 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC001046054325 766799865 /nfs/dbraw/zinc/79/98/65/766799865.db2.gz LFZJPVJWDLUGIS-AWEZNQCLSA-N 1 1 331.420 0.178 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046054677 766802014 /nfs/dbraw/zinc/80/20/14/766802014.db2.gz LXBGURWWTHNLBK-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)c3cncnc3)CC2)C1 ZINC001046054792 766803181 /nfs/dbraw/zinc/80/31/81/766803181.db2.gz QCGBPOWJOFDDGD-FUHWJXTLSA-N 1 1 341.459 0.822 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@H]3CC[N@H+]([C@H](CC)C(N)=O)C3)CC2)C1 ZINC001046059169 766820381 /nfs/dbraw/zinc/82/03/81/766820381.db2.gz AYHCZLRHVOIYDE-JKSUJKDBSA-N 1 1 348.491 0.825 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@@H]3CC[N@H+](CC(=O)N(C)C)C3)CC2)C1 ZINC001046059425 766822183 /nfs/dbraw/zinc/82/21/83/766822183.db2.gz GWKVQLYFKUNTFG-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)CC2)C1 ZINC001046062539 766835715 /nfs/dbraw/zinc/83/57/15/766835715.db2.gz WBXHNJCOURLATP-JKSUJKDBSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cccc(C(N)=O)n3)CCC[C@@H]12 ZINC000992550034 766841977 /nfs/dbraw/zinc/84/19/77/766841977.db2.gz PENRCSRKSKTJGX-CRAIPNDOSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nn(C)c3OC)CC2)C1 ZINC001046067185 766856311 /nfs/dbraw/zinc/85/63/11/766856311.db2.gz UHOKSXFUVVNHMN-OAHLLOKOSA-N 1 1 345.447 0.202 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046068506 766861982 /nfs/dbraw/zinc/86/19/82/766861982.db2.gz MTCSUBUSODSIIQ-NVXWUHKLSA-N 1 1 329.448 0.440 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068506 766861989 /nfs/dbraw/zinc/86/19/89/766861989.db2.gz MTCSUBUSODSIIQ-NVXWUHKLSA-N 1 1 329.448 0.440 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068506 766862000 /nfs/dbraw/zinc/86/20/00/766862000.db2.gz MTCSUBUSODSIIQ-NVXWUHKLSA-N 1 1 329.448 0.440 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(COC)on3)CC2)C1 ZINC001046068525 766862074 /nfs/dbraw/zinc/86/20/74/766862074.db2.gz NLKZEGOKVFPUME-AWEZNQCLSA-N 1 1 332.404 0.286 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CCC(C)CC3)CC2)C1 ZINC001046068822 766864451 /nfs/dbraw/zinc/86/44/51/766864451.db2.gz VCDWUPLRFKOLBZ-QGZVFWFLSA-N 1 1 346.475 0.097 20 30 ECEDMO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001089650705 766871142 /nfs/dbraw/zinc/87/11/42/766871142.db2.gz ALNAXZVZDOESJO-GFCCVEGCSA-N 1 1 327.392 0.884 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CC2)C1 ZINC001046070851 766876322 /nfs/dbraw/zinc/87/63/22/766876322.db2.gz CLGSKMVPFFICOX-PBHICJAKSA-N 1 1 343.475 0.982 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)COc3cccnc3)CC2)C1 ZINC001046070734 766876507 /nfs/dbraw/zinc/87/65/07/766876507.db2.gz AUAOLBYKRCNQGD-QGZVFWFLSA-N 1 1 342.443 0.702 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CCC)nn3)CC2)C1 ZINC001046075405 766895226 /nfs/dbraw/zinc/89/52/26/766895226.db2.gz SFSPHPHOSKFZSD-OAHLLOKOSA-N 1 1 332.452 0.706 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](CCF)C3)CC2)nc1 ZINC001046078458 766910859 /nfs/dbraw/zinc/91/08/59/766910859.db2.gz YAHGOLLMAXWSGO-INIZCTEOSA-N 1 1 330.407 0.865 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC001046079104 766913252 /nfs/dbraw/zinc/91/32/52/766913252.db2.gz RUWXIZKSRPYWKG-ROUUACIJSA-N 1 1 346.475 0.239 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nn(C)c3F)CC2)C1 ZINC001046080445 766916653 /nfs/dbraw/zinc/91/66/53/766916653.db2.gz GXKILAXMTVSMLC-HNNXBMFYSA-N 1 1 347.438 0.723 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC001046081524 766919355 /nfs/dbraw/zinc/91/93/55/766919355.db2.gz GXDNHZPKXDYCMR-INIZCTEOSA-N 1 1 334.464 0.403 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC001046082039 766921029 /nfs/dbraw/zinc/92/10/29/766921029.db2.gz RQJCDOCRARLZAL-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC001046082596 766921732 /nfs/dbraw/zinc/92/17/32/766921732.db2.gz XZCANVLXIBPCSD-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)c3cnn(C)c3)CC2)C1 ZINC001046085553 766926707 /nfs/dbraw/zinc/92/67/07/766926707.db2.gz BELNCHPIZQYKKQ-SJLPKXTDSA-N 1 1 343.475 0.765 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncc4n3CCCC4)CC2)C1 ZINC001046085629 766927963 /nfs/dbraw/zinc/92/79/63/766927963.db2.gz HXJAZVCLSXNHHJ-KRWDZBQOSA-N 1 1 341.459 0.685 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)c3cnn(C)c3)CC2)C1 ZINC001046086049 766928273 /nfs/dbraw/zinc/92/82/73/766928273.db2.gz GKOQHMUDIZVVIW-AEFFLSMTSA-N 1 1 343.475 0.765 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC001046086451 766928472 /nfs/dbraw/zinc/92/84/72/766928472.db2.gz JCKKVTLIKYJJJF-RDJZCZTQSA-N 1 1 329.448 0.375 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046086529 766928553 /nfs/dbraw/zinc/92/85/53/766928553.db2.gz WDLYNGHFWNVVMU-SJORKVTESA-N 1 1 333.480 0.603 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001089660730 766937331 /nfs/dbraw/zinc/93/73/31/766937331.db2.gz OSKGZHFONHXRJB-UONOGXRCSA-N 1 1 345.447 0.786 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001046116681 766944037 /nfs/dbraw/zinc/94/40/37/766944037.db2.gz BSJOSPZNNXBIQP-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001046116681 766944039 /nfs/dbraw/zinc/94/40/39/766944039.db2.gz BSJOSPZNNXBIQP-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001046123580 766953224 /nfs/dbraw/zinc/95/32/24/766953224.db2.gz FHXQUPIJGJQBDY-CRAIPNDOSA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001046123580 766953230 /nfs/dbraw/zinc/95/32/30/766953230.db2.gz FHXQUPIJGJQBDY-CRAIPNDOSA-N 1 1 344.415 0.301 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CO2 ZINC001053827010 766953854 /nfs/dbraw/zinc/95/38/54/766953854.db2.gz PHHJLZCLMCNQEJ-IRXDYDNUSA-N 1 1 333.476 0.947 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)CO2 ZINC001053827202 766955286 /nfs/dbraw/zinc/95/52/86/766955286.db2.gz TXIWRIKYBGAQPX-CABCVRRESA-N 1 1 328.416 0.743 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)CO2 ZINC001053849953 767016462 /nfs/dbraw/zinc/01/64/62/767016462.db2.gz YURMTIIZVFTVPE-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001046176119 767021298 /nfs/dbraw/zinc/02/12/98/767021298.db2.gz WBJIJNJIYKRYTH-CRAIPNDOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001046176119 767021310 /nfs/dbraw/zinc/02/13/10/767021310.db2.gz WBJIJNJIYKRYTH-CRAIPNDOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ncoc3C)C2)C1=O ZINC001046177714 767025363 /nfs/dbraw/zinc/02/53/63/767025363.db2.gz LNOIOIACTSODOQ-SUMWQHHRSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ncoc3C)C2)C1=O ZINC001046177714 767025372 /nfs/dbraw/zinc/02/53/72/767025372.db2.gz LNOIOIACTSODOQ-SUMWQHHRSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)CO2 ZINC001053864571 767067584 /nfs/dbraw/zinc/06/75/84/767067584.db2.gz DQQYOJKIRPNFSX-KGLIPLIRSA-N 1 1 342.461 0.347 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219938 767086747 /nfs/dbraw/zinc/08/67/47/767086747.db2.gz QYGOJLKMTHRODG-IEBWSBKVSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046220476 767087660 /nfs/dbraw/zinc/08/76/60/767087660.db2.gz KHXNQJRVVAGQPE-GTNSWQLSSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046220476 767087667 /nfs/dbraw/zinc/08/76/67/767087667.db2.gz KHXNQJRVVAGQPE-GTNSWQLSSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCN1CC2(C1)C[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)CO2 ZINC001053872980 767095822 /nfs/dbraw/zinc/09/58/22/767095822.db2.gz NEFRJPBZNZQMOL-AWEZNQCLSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)N2CCCCC2=O)[C@H](OC)C1 ZINC001212279165 767105129 /nfs/dbraw/zinc/10/51/29/767105129.db2.gz FSWTUWFUHQFSSW-BZUAXINKSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cncnc2)C1 ZINC000938756092 767106716 /nfs/dbraw/zinc/10/67/16/767106716.db2.gz HJLSRQFYXPLYEC-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cncnc2)C1 ZINC000938756092 767106717 /nfs/dbraw/zinc/10/67/17/767106717.db2.gz HJLSRQFYXPLYEC-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046247778 767106745 /nfs/dbraw/zinc/10/67/45/767106745.db2.gz JCZLSCVRKPAONE-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046247778 767106747 /nfs/dbraw/zinc/10/67/47/767106747.db2.gz JCZLSCVRKPAONE-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046247643 767106772 /nfs/dbraw/zinc/10/67/72/767106772.db2.gz HMMJZSRSDJAVRG-IEBWSBKVSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001046249095 767108684 /nfs/dbraw/zinc/10/86/84/767108684.db2.gz VGFZNWQIXPWJNF-SCLBCKFNSA-N 1 1 343.431 0.997 20 30 ECEDMO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001089712795 767110361 /nfs/dbraw/zinc/11/03/61/767110361.db2.gz JXFKMHBOUUXNRA-CYBMUJFWSA-N 1 1 327.392 0.884 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001046253294 767110877 /nfs/dbraw/zinc/11/08/77/767110877.db2.gz UNHANGHRCCZZQJ-KRWDZBQOSA-N 1 1 341.419 0.989 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cncnc3)C2)C1=O ZINC001046260547 767115616 /nfs/dbraw/zinc/11/56/16/767115616.db2.gz MDCXCBZDWBQGGX-RHSMWYFYSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cncnc3)C2)C1=O ZINC001046260547 767115621 /nfs/dbraw/zinc/11/56/21/767115621.db2.gz MDCXCBZDWBQGGX-RHSMWYFYSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001046269731 767118297 /nfs/dbraw/zinc/11/82/97/767118297.db2.gz PGMCETYBGYTGJK-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001046269731 767118298 /nfs/dbraw/zinc/11/82/98/767118298.db2.gz PGMCETYBGYTGJK-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC000938819604 767119971 /nfs/dbraw/zinc/11/99/71/767119971.db2.gz SFBYIAOYNFXYTH-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nc(C)nn3C1)CO2 ZINC001053879389 767127504 /nfs/dbraw/zinc/12/75/04/767127504.db2.gz PLQLFCSUDRUIQM-CABCVRRESA-N 1 1 345.447 0.685 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046288955 767129640 /nfs/dbraw/zinc/12/96/40/767129640.db2.gz QSDNOFDNYBIWFR-QAPCUYQASA-N 1 1 345.374 0.866 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046288955 767129642 /nfs/dbraw/zinc/12/96/42/767129642.db2.gz QSDNOFDNYBIWFR-QAPCUYQASA-N 1 1 345.374 0.866 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(C(C)C)CC2)C1 ZINC001046301855 767136600 /nfs/dbraw/zinc/13/66/00/767136600.db2.gz JEVUBEZLQLNIKV-HNNXBMFYSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(C(C)C)CC2)C1 ZINC001046301855 767136602 /nfs/dbraw/zinc/13/66/02/767136602.db2.gz JEVUBEZLQLNIKV-HNNXBMFYSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nnc[nH]1 ZINC001089791692 767200704 /nfs/dbraw/zinc/20/07/04/767200704.db2.gz JYGASUCRHHRTQN-FZKCQIBNSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nc[nH]n1 ZINC001089791692 767200705 /nfs/dbraw/zinc/20/07/05/767200705.db2.gz JYGASUCRHHRTQN-FZKCQIBNSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nc[nH]n1 ZINC001089791692 767200706 /nfs/dbraw/zinc/20/07/06/767200706.db2.gz JYGASUCRHHRTQN-FZKCQIBNSA-N 1 1 327.432 0.929 20 30 ECEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccncc2)[C@H](OC)C1 ZINC001212311843 767202254 /nfs/dbraw/zinc/20/22/54/767202254.db2.gz ZLQAFEYQLIMOCF-HZPDHXFCSA-N 1 1 346.431 0.593 20 30 ECEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 ZINC001212315965 767206955 /nfs/dbraw/zinc/20/69/55/767206955.db2.gz CJJRSFWIJBHAOI-HUUCEWRRSA-N 1 1 344.477 0.593 20 30 ECEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 ZINC001212315965 767206956 /nfs/dbraw/zinc/20/69/56/767206956.db2.gz CJJRSFWIJBHAOI-HUUCEWRRSA-N 1 1 344.477 0.593 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(F)s2)C1 ZINC000994901539 767214120 /nfs/dbraw/zinc/21/41/20/767214120.db2.gz ZGBYPUCUNOMNST-LBPRGKRZSA-N 1 1 335.404 0.925 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(F)s2)C1 ZINC000994901539 767214121 /nfs/dbraw/zinc/21/41/21/767214121.db2.gz ZGBYPUCUNOMNST-LBPRGKRZSA-N 1 1 335.404 0.925 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CS(=O)(=O)C1 ZINC001089806106 767234038 /nfs/dbraw/zinc/23/40/38/767234038.db2.gz NEXALCQJKCXAFL-UKMLZYKCSA-N 1 1 338.473 0.776 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046536991 767287836 /nfs/dbraw/zinc/28/78/36/767287836.db2.gz ARZVXOHYORUGJT-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046536991 767287837 /nfs/dbraw/zinc/28/78/37/767287837.db2.gz ARZVXOHYORUGJT-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001046540944 767292016 /nfs/dbraw/zinc/29/20/16/767292016.db2.gz BFQMSHABRZFWMP-CJNGLKHVSA-N 1 1 347.444 0.724 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001046540944 767292017 /nfs/dbraw/zinc/29/20/17/767292017.db2.gz BFQMSHABRZFWMP-CJNGLKHVSA-N 1 1 347.444 0.724 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1COC3(CN(CC#N)C3)C1)CC2 ZINC001053908583 767331406 /nfs/dbraw/zinc/33/14/06/767331406.db2.gz WHRIZYMLJCZPDP-ZIAGYGMSSA-N 1 1 329.404 0.237 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc[nH]c1=O ZINC001089823649 767340329 /nfs/dbraw/zinc/34/03/29/767340329.db2.gz HAXLTFPRGUSFEH-UKMLZYKCSA-N 1 1 326.400 0.988 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001089823486 767340761 /nfs/dbraw/zinc/34/07/61/767340761.db2.gz ATGFCTLZUJPBRO-VGWMRTNUSA-N 1 1 340.427 0.802 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn(C)c(=O)c1 ZINC001089825514 767347752 /nfs/dbraw/zinc/34/77/52/767347752.db2.gz CFTVVVGNGFXMAI-NXOAAHMSSA-N 1 1 325.412 0.801 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001046604669 767356568 /nfs/dbraw/zinc/35/65/68/767356568.db2.gz MFYSATIVYPQHGS-LJQANCHMSA-N 1 1 340.427 0.880 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001046618999 767373795 /nfs/dbraw/zinc/37/37/95/767373795.db2.gz LMJJZHVNJNQLMB-SFHVURJKSA-N 1 1 330.432 0.741 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001106153836 767403669 /nfs/dbraw/zinc/40/36/69/767403669.db2.gz AROPGUAIKQCXBW-AWEZNQCLSA-N 1 1 346.435 0.284 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)CO2 ZINC001053940961 767410786 /nfs/dbraw/zinc/41/07/86/767410786.db2.gz PEXDCSVEQULYHG-HNNXBMFYSA-N 1 1 330.432 0.989 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106157345 767420553 /nfs/dbraw/zinc/42/05/53/767420553.db2.gz CUKGRUCQRPHOJU-ZIAGYGMSSA-N 1 1 349.410 0.856 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106158625 767425896 /nfs/dbraw/zinc/42/58/96/767425896.db2.gz XPNDQFFEHXNVHL-CABCVRRESA-N 1 1 331.420 0.717 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001089835549 767427682 /nfs/dbraw/zinc/42/76/82/767427682.db2.gz WCJMZFCMVBDBOT-AJNGGQMLSA-N 1 1 344.415 0.304 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046663890 767436355 /nfs/dbraw/zinc/43/63/55/767436355.db2.gz DAQRHFDKUHCOSO-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001046676817 767461013 /nfs/dbraw/zinc/46/10/13/767461013.db2.gz MLFIGLKBHNGXQD-PBHICJAKSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001046676818 767461073 /nfs/dbraw/zinc/46/10/73/767461073.db2.gz MLFIGLKBHNGXQD-RHSMWYFYSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001046681541 767471052 /nfs/dbraw/zinc/47/10/52/767471052.db2.gz ONKZXDAEQTVBEQ-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001046681541 767471054 /nfs/dbraw/zinc/47/10/54/767471054.db2.gz ONKZXDAEQTVBEQ-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001046681537 767471299 /nfs/dbraw/zinc/47/12/99/767471299.db2.gz OJLOAXXFOFTAIS-SJCJKPOMSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001046681537 767471302 /nfs/dbraw/zinc/47/13/02/767471302.db2.gz OJLOAXXFOFTAIS-SJCJKPOMSA-N 1 1 346.435 0.325 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001078292495 782627269 /nfs/dbraw/zinc/62/72/69/782627269.db2.gz LCXCXINWOOEXPY-UKRRQHHQSA-N 1 1 328.372 0.077 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001106169791 767479079 /nfs/dbraw/zinc/47/90/79/767479079.db2.gz LVZWJOYXKGWSOD-ZFWWWQNUSA-N 1 1 346.435 0.358 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001046690525 767487272 /nfs/dbraw/zinc/48/72/72/767487272.db2.gz VZIJNXINOHZLBM-YOEHRIQHSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001046690525 767487277 /nfs/dbraw/zinc/48/72/77/767487277.db2.gz VZIJNXINOHZLBM-YOEHRIQHSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC000992730438 767509256 /nfs/dbraw/zinc/50/92/56/767509256.db2.gz LEQMTXYLUBTGLP-QMTMVMCOSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC000992730438 767509262 /nfs/dbraw/zinc/50/92/62/767509262.db2.gz LEQMTXYLUBTGLP-QMTMVMCOSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCCN1C(N)=O)CO2 ZINC001053980885 767521545 /nfs/dbraw/zinc/52/15/45/767521545.db2.gz UKNJRSRSXQOKJP-UONOGXRCSA-N 1 1 336.436 0.455 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCCN1C(N)=O)CO2 ZINC001053980886 767522081 /nfs/dbraw/zinc/52/20/81/767522081.db2.gz UKNJRSRSXQOKJP-ZIAGYGMSSA-N 1 1 336.436 0.455 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001046753026 767590788 /nfs/dbraw/zinc/59/07/88/767590788.db2.gz NZDKQZLJJBWHOX-UXIGCNINSA-N 1 1 347.394 0.730 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001046753026 767590797 /nfs/dbraw/zinc/59/07/97/767590797.db2.gz NZDKQZLJJBWHOX-UXIGCNINSA-N 1 1 347.394 0.730 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001017104470 767591511 /nfs/dbraw/zinc/59/15/11/767591511.db2.gz CHSKPMATHBAQPN-BCLQGDPASA-N 1 1 343.431 0.155 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001017104470 767591515 /nfs/dbraw/zinc/59/15/15/767591515.db2.gz CHSKPMATHBAQPN-BCLQGDPASA-N 1 1 343.431 0.155 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001054058535 767655769 /nfs/dbraw/zinc/65/57/69/767655769.db2.gz OTFMSMCHSCIJCM-IRXDYDNUSA-N 1 1 325.412 0.831 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001054058535 767655774 /nfs/dbraw/zinc/65/57/74/767655774.db2.gz OTFMSMCHSCIJCM-IRXDYDNUSA-N 1 1 325.412 0.831 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001060476417 767686119 /nfs/dbraw/zinc/68/61/19/767686119.db2.gz LXMYSNBYUZXYBW-VWOPQJGGSA-N 1 1 340.431 0.405 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001054099224 767686757 /nfs/dbraw/zinc/68/67/57/767686757.db2.gz CSQAAXJIYLGEMQ-SUMWQHHRSA-N 1 1 347.419 0.012 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3csnn3)C2)C1=O ZINC001046518017 767716672 /nfs/dbraw/zinc/71/66/72/767716672.db2.gz GWDYWXDTTLGFIM-DOMZBBRYSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3csnn3)C2)C1=O ZINC001046518017 767716674 /nfs/dbraw/zinc/71/66/74/767716674.db2.gz GWDYWXDTTLGFIM-DOMZBBRYSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001054133438 767729961 /nfs/dbraw/zinc/72/99/61/767729961.db2.gz CSPWSYCPVNAOQL-QGZVFWFLSA-N 1 1 346.435 0.268 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCCS1(=O)=O)C2 ZINC001054140885 767734764 /nfs/dbraw/zinc/73/47/64/767734764.db2.gz BEUUDWAAFFUFIL-INIZCTEOSA-N 1 1 341.477 0.522 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCS1(=O)=O)C2 ZINC001054144335 767738959 /nfs/dbraw/zinc/73/89/59/767738959.db2.gz TYOUAGRUMWQMMH-DOTOQJQBSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCS1(=O)=O)C2 ZINC001054144335 767738960 /nfs/dbraw/zinc/73/89/60/767738960.db2.gz TYOUAGRUMWQMMH-DOTOQJQBSA-N 1 1 338.473 0.901 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1=O ZINC001017233913 767748566 /nfs/dbraw/zinc/74/85/66/767748566.db2.gz ZGQYJMBGQZBFKI-ZIAGYGMSSA-N 1 1 346.435 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1=O ZINC001017233910 767748593 /nfs/dbraw/zinc/74/85/93/767748593.db2.gz ZGQYJMBGQZBFKI-KBPBESRZSA-N 1 1 346.435 0.376 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC3N=NC(=O)N3C1)C2 ZINC001054155649 767751140 /nfs/dbraw/zinc/75/11/40/767751140.db2.gz WIKXALXCSBEKMS-KBXCAEBGSA-N 1 1 343.431 0.494 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN(C(N)=O)C1)C2 ZINC001054162045 767760511 /nfs/dbraw/zinc/76/05/11/767760511.db2.gz VWGQRCCAPCIKND-QAPCUYQASA-N 1 1 332.448 0.725 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C(N)=O)C3)c1 ZINC001054187989 767786770 /nfs/dbraw/zinc/78/67/70/767786770.db2.gz DMAHJPSAQSHHRH-GOSISDBHSA-N 1 1 344.390 0.997 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C(N)=O)C3)ccc1F ZINC001054188265 767788722 /nfs/dbraw/zinc/78/87/22/767788722.db2.gz KUOIPHBEQXCTAY-GOSISDBHSA-N 1 1 344.390 0.997 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(N)=O)[C@H]3C2)CC1 ZINC000992927799 767800069 /nfs/dbraw/zinc/80/00/69/767800069.db2.gz VSTTZSATAYAHIT-ULQDDVLXSA-N 1 1 346.475 0.034 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2CCCO2)CC1 ZINC001017277598 767803877 /nfs/dbraw/zinc/80/38/77/767803877.db2.gz QNNZWSVZBNKOFT-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2CCCO2)CC1 ZINC001017277598 767803884 /nfs/dbraw/zinc/80/38/84/767803884.db2.gz QNNZWSVZBNKOFT-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@]1(C)CCCS1(=O)=O)C2 ZINC001054213193 767810887 /nfs/dbraw/zinc/81/08/87/767810887.db2.gz VOOSQTBTUNZXRC-DLBZAZTESA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@]1(C)CCCS1(=O)=O)C2 ZINC001054213193 767810891 /nfs/dbraw/zinc/81/08/91/767810891.db2.gz VOOSQTBTUNZXRC-DLBZAZTESA-N 1 1 338.473 0.901 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)[C@@H](O)C1 ZINC001083717924 767817428 /nfs/dbraw/zinc/81/74/28/767817428.db2.gz UXLMCVNPVDQMQQ-ZNMIVQPWSA-N 1 1 337.464 0.761 20 30 ECEDMO C=CCCn1cc(C(=O)NC2C[NH+](C[C@H]3CCNC(=O)CC3)C2)nn1 ZINC001031079679 767833579 /nfs/dbraw/zinc/83/35/79/767833579.db2.gz GSBINJFNJUBHCA-CYBMUJFWSA-N 1 1 346.435 0.185 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)cn1 ZINC001054229895 767838859 /nfs/dbraw/zinc/83/88/59/767838859.db2.gz HLRGKZJYZQMDQD-GOSISDBHSA-N 1 1 326.400 0.476 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001054237076 767847180 /nfs/dbraw/zinc/84/71/80/767847180.db2.gz TWWFEZAHVFGXDD-QGZVFWFLSA-N 1 1 334.420 0.429 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001042042294 782660337 /nfs/dbraw/zinc/66/03/37/782660337.db2.gz DPBQFTBAKXXRIY-IRXDYDNUSA-N 1 1 329.444 0.945 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 ZINC001054903476 768405017 /nfs/dbraw/zinc/40/50/17/768405017.db2.gz OBPIFAKNBUAYRB-CBBWQLFWSA-N 1 1 326.404 0.668 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106539404 768419005 /nfs/dbraw/zinc/41/90/05/768419005.db2.gz MCQBXIQDJNUVSU-HIFRSBDPSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106539404 768419011 /nfs/dbraw/zinc/41/90/11/768419011.db2.gz MCQBXIQDJNUVSU-HIFRSBDPSA-N 1 1 346.435 0.764 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993202533 768454420 /nfs/dbraw/zinc/45/44/20/768454420.db2.gz AMPXCUDTRWGCFU-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993202533 768454427 /nfs/dbraw/zinc/45/44/27/768454427.db2.gz AMPXCUDTRWGCFU-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C[C@H]1C ZINC001106621461 768519850 /nfs/dbraw/zinc/51/98/50/768519850.db2.gz MAMXSSVACZERGA-UNEWFSDZSA-N 1 1 347.463 0.717 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1nccc(OC)n1 ZINC001106627536 768527187 /nfs/dbraw/zinc/52/71/87/768527187.db2.gz HKYDOLBPHLVGBT-KBPBESRZSA-N 1 1 331.420 0.890 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1nccc(OC)n1 ZINC001106627536 768527192 /nfs/dbraw/zinc/52/71/92/768527192.db2.gz HKYDOLBPHLVGBT-KBPBESRZSA-N 1 1 331.420 0.890 20 30 ECEDMO C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106641679 768544888 /nfs/dbraw/zinc/54/48/88/768544888.db2.gz CGKIZTGRECSACI-WOSRLPQWSA-N 1 1 331.420 0.979 20 30 ECEDMO C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106641679 768544892 /nfs/dbraw/zinc/54/48/92/768544892.db2.gz CGKIZTGRECSACI-WOSRLPQWSA-N 1 1 331.420 0.979 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)[C@@H](O)C1 ZINC001083733842 768572765 /nfs/dbraw/zinc/57/27/65/768572765.db2.gz GTUGLRGZWOBOMX-MCIONIFRSA-N 1 1 329.391 0.148 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2C1 ZINC001055180321 768635647 /nfs/dbraw/zinc/63/56/47/768635647.db2.gz AJWDUEJQVGCZES-MJBXVCDLSA-N 1 1 336.461 0.254 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001055251182 768710497 /nfs/dbraw/zinc/71/04/97/768710497.db2.gz WVXFZALOYXYTTR-GASCZTMLSA-N 1 1 332.404 0.311 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001055251930 768711443 /nfs/dbraw/zinc/71/14/43/768711443.db2.gz OGUUZULJKQDVEV-OWCLPIDISA-N 1 1 335.448 0.590 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]2C1 ZINC001055340843 768798472 /nfs/dbraw/zinc/79/84/72/768798472.db2.gz XPZDKIKJQCQTCG-HRCADAONSA-N 1 1 349.475 0.672 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)C1 ZINC001055341557 768800171 /nfs/dbraw/zinc/80/01/71/768800171.db2.gz JOCRNRQMLREOBW-MYPMTAMASA-N 1 1 326.404 0.526 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055344944 768802740 /nfs/dbraw/zinc/80/27/40/768802740.db2.gz JJRSHTUOUXASLV-QXSJWSMHSA-N 1 1 335.448 0.446 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001018150588 768804807 /nfs/dbraw/zinc/80/48/07/768804807.db2.gz SXUOHVUQYQJBRM-OKILXGFUSA-N 1 1 331.420 0.242 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001018150588 768804816 /nfs/dbraw/zinc/80/48/16/768804816.db2.gz SXUOHVUQYQJBRM-OKILXGFUSA-N 1 1 331.420 0.242 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn([C@H]2CCOC2)nn1 ZINC001018152950 768808092 /nfs/dbraw/zinc/80/80/92/768808092.db2.gz RAZZWUPSIXDCRT-ZNMIVQPWSA-N 1 1 329.404 0.552 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn([C@H]2CCOC2)nn1 ZINC001018152950 768808099 /nfs/dbraw/zinc/80/80/99/768808099.db2.gz RAZZWUPSIXDCRT-ZNMIVQPWSA-N 1 1 329.404 0.552 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001055379617 768836064 /nfs/dbraw/zinc/83/60/64/768836064.db2.gz LNLUBXXYUNFQQR-ZACQAIPSSA-N 1 1 349.475 0.838 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001055379523 768836547 /nfs/dbraw/zinc/83/65/47/768836547.db2.gz GBMJXUGWEVYPDV-ZACQAIPSSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC000993415232 769000540 /nfs/dbraw/zinc/00/05/40/769000540.db2.gz OMEKRSLQDIMLNJ-KGLIPLIRSA-N 1 1 334.420 0.092 20 30 ECEDMO N#CCSCC(=O)NCC[NH+]1CCC(NC(=O)c2cc[nH]c2)CC1 ZINC001055525544 769002381 /nfs/dbraw/zinc/00/23/81/769002381.db2.gz FFJIQCQNPUKEFT-UHFFFAOYSA-N 1 1 349.460 0.582 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC(C)(C)C1 ZINC001089353721 769014133 /nfs/dbraw/zinc/01/41/33/769014133.db2.gz DTMGQZLXXSQXQE-DGCLKSJQSA-N 1 1 331.420 0.981 20 30 ECEDMO CCN(CCNc1ccc(C#N)nc1)C(=O)CC[NH+]1CCOCC1 ZINC001106797906 769014881 /nfs/dbraw/zinc/01/48/81/769014881.db2.gz BUFHHFVVCVULEQ-UHFFFAOYSA-N 1 1 331.420 0.936 20 30 ECEDMO C=CCCC(=O)NCC[NH+]1CCC(NC(=O)CCc2nc[nH]n2)CC1 ZINC001055540210 769060531 /nfs/dbraw/zinc/06/05/31/769060531.db2.gz JRMBXKJXDBSRBP-UHFFFAOYSA-N 1 1 348.451 0.400 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2cscn2)CC1 ZINC001055544628 769078179 /nfs/dbraw/zinc/07/81/79/769078179.db2.gz ZUZPADSKLQNIHR-NSHDSACASA-N 1 1 335.433 0.613 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001042077753 782721661 /nfs/dbraw/zinc/72/16/61/782721661.db2.gz OOSZNODIQXDQPC-LSDHHAIUSA-N 1 1 344.463 0.917 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2cncs2)CC1 ZINC001055573346 769153875 /nfs/dbraw/zinc/15/38/75/769153875.db2.gz AXKBNLYNSPOTOS-UHFFFAOYSA-N 1 1 346.456 0.867 20 30 ECEDMO C=CCn1cc(C(=O)NCC[NH+]2CCC(NC(=O)CC)CC2)nn1 ZINC001055578069 769171933 /nfs/dbraw/zinc/17/19/33/769171933.db2.gz XZRUKHXFJYMKRK-UHFFFAOYSA-N 1 1 334.424 0.185 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000993515860 769212460 /nfs/dbraw/zinc/21/24/60/769212460.db2.gz CKROQCXEECJWIL-ZYHUDNBSSA-N 1 1 327.406 0.696 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001018366608 769214233 /nfs/dbraw/zinc/21/42/33/769214233.db2.gz MOWQCXZIWVHAMX-CQSZACIVSA-N 1 1 343.431 0.903 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042084038 782732653 /nfs/dbraw/zinc/73/26/53/782732653.db2.gz MGVIUQLXFUZSHO-MGPQQGTHSA-N 1 1 328.420 0.631 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622355 769277851 /nfs/dbraw/zinc/27/78/51/769277851.db2.gz GLBRRQBIHPDULR-CYBMUJFWSA-N 1 1 349.435 0.982 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622483 769279213 /nfs/dbraw/zinc/27/92/13/769279213.db2.gz LVWVDYFCVRTDRH-KRWDZBQOSA-N 1 1 349.435 0.982 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC000993584622 769300187 /nfs/dbraw/zinc/30/01/87/769300187.db2.gz AYPYDLBBSLFYTP-CABCVRRESA-N 1 1 341.477 0.404 20 30 ECEDMO Cc1noc(C(=O)NC2CC[NH+](CCNC(=O)[C@H](C)C#N)CC2)c1C ZINC001055631241 769301771 /nfs/dbraw/zinc/30/17/71/769301771.db2.gz DEVNOJGCZLRMIZ-LLVKDONJSA-N 1 1 347.419 0.762 20 30 ECEDMO CCc1ncoc1C(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055631867 769306018 /nfs/dbraw/zinc/30/60/18/769306018.db2.gz LYJARHYPHROOSS-GFCCVEGCSA-N 1 1 347.419 0.707 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3sccn3c2=O)[C@@H]1C ZINC000993554275 769310107 /nfs/dbraw/zinc/31/01/07/769310107.db2.gz CHEKSVQCTPPGEP-AAEUAGOBSA-N 1 1 330.413 0.972 20 30 ECEDMO Cc1conc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055643179 769331938 /nfs/dbraw/zinc/33/19/38/769331938.db2.gz XZHCBGCHKZOQQJ-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H]1C ZINC000993588834 769377287 /nfs/dbraw/zinc/37/72/87/769377287.db2.gz RFUVNZIVNMAZRA-KBPBESRZSA-N 1 1 334.420 0.658 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H]1C ZINC000993624977 769436522 /nfs/dbraw/zinc/43/65/22/769436522.db2.gz RUAFUGGABFIDHI-DZGCQCFKSA-N 1 1 339.403 0.663 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC000993670811 769457495 /nfs/dbraw/zinc/45/74/95/769457495.db2.gz LPCQPSPYDLSTRC-KGLIPLIRSA-N 1 1 329.404 0.651 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C ZINC000993663204 769497332 /nfs/dbraw/zinc/49/73/32/769497332.db2.gz CRYSCMOAUIVXJX-WCQYABFASA-N 1 1 344.423 0.853 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)c1 ZINC000993804667 769645477 /nfs/dbraw/zinc/64/54/77/769645477.db2.gz DXPBAWQQKQFZTC-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001078358333 782768947 /nfs/dbraw/zinc/76/89/47/782768947.db2.gz NWYGQLVIAVJXBS-BBRMVZONSA-N 1 1 346.435 0.555 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nc3ccccc3c(=O)n2C)C1 ZINC001018632776 769683673 /nfs/dbraw/zinc/68/36/73/769683673.db2.gz PNPVJVRLYJMUHA-OLZOCXBDSA-N 1 1 339.399 0.784 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001042104860 782779662 /nfs/dbraw/zinc/77/96/62/782779662.db2.gz SLFRJLUBRFUHSU-CQSZACIVSA-N 1 1 335.448 0.517 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000993870814 769820563 /nfs/dbraw/zinc/82/05/63/769820563.db2.gz AZZHVYLYDPNOSG-RBSFLKMASA-N 1 1 337.464 0.740 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000993870814 769820575 /nfs/dbraw/zinc/82/05/75/769820575.db2.gz AZZHVYLYDPNOSG-RBSFLKMASA-N 1 1 337.464 0.740 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000993930981 769842689 /nfs/dbraw/zinc/84/26/89/769842689.db2.gz LDEPELXQPPXGOG-CQSZACIVSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CSC)C2)C1 ZINC001018752824 769871480 /nfs/dbraw/zinc/87/14/80/769871480.db2.gz FFENLFQEBORPCK-AWEZNQCLSA-N 1 1 335.473 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CSC)C2)C1 ZINC001018752824 769871491 /nfs/dbraw/zinc/87/14/91/769871491.db2.gz FFENLFQEBORPCK-AWEZNQCLSA-N 1 1 335.473 0.508 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC000993915275 769875145 /nfs/dbraw/zinc/87/51/45/769875145.db2.gz JDJLZNJNWCIDHL-UKRRQHHQSA-N 1 1 348.447 0.633 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001055832878 769899202 /nfs/dbraw/zinc/89/92/02/769899202.db2.gz WVXJUNOHGWWYQP-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)[nH]1 ZINC000993949977 769932362 /nfs/dbraw/zinc/93/23/62/769932362.db2.gz DSYMBJOQPHSEGH-CQSZACIVSA-N 1 1 338.371 0.601 20 30 ECEDMO N#Cc1cnccc1N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001055850902 769968276 /nfs/dbraw/zinc/96/82/76/769968276.db2.gz CKLIAIJVJGCSPZ-UHFFFAOYSA-N 1 1 329.404 0.324 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001055911762 770185321 /nfs/dbraw/zinc/18/53/21/770185321.db2.gz FJLWNZQRFXHCLK-LJQANCHMSA-N 1 1 349.475 0.744 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001055923152 770231123 /nfs/dbraw/zinc/23/11/23/770231123.db2.gz BIZFDICXMGXWFA-OAHLLOKOSA-N 1 1 342.447 0.975 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001018915747 770268648 /nfs/dbraw/zinc/26/86/48/770268648.db2.gz QXHKXNPLSGIDHR-HNNXBMFYSA-N 1 1 328.351 0.680 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001055933863 770274084 /nfs/dbraw/zinc/27/40/84/770274084.db2.gz WOVBSZJVGQPIRO-CRAIPNDOSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C ZINC000994203853 770296558 /nfs/dbraw/zinc/29/65/58/770296558.db2.gz PUIUGHAZWDMRKV-KFWWJZLASA-N 1 1 344.415 0.597 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C ZINC000994203853 770296565 /nfs/dbraw/zinc/29/65/65/770296565.db2.gz PUIUGHAZWDMRKV-KFWWJZLASA-N 1 1 344.415 0.597 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001055953515 770346936 /nfs/dbraw/zinc/34/69/36/770346936.db2.gz FJBWJTMJLCHVNV-YJBOKZPZSA-N 1 1 335.448 0.067 20 30 ECEDMO Cc1nn(C)c(C)c1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000916311690 770445060 /nfs/dbraw/zinc/44/50/60/770445060.db2.gz OSPYPWDHTSORMO-UHFFFAOYSA-N 1 1 338.481 0.557 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)CC[N@H+]1C ZINC001055993601 770484926 /nfs/dbraw/zinc/48/49/26/770484926.db2.gz ALCPBUGRBYSXIZ-KBPBESRZSA-N 1 1 328.420 0.727 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC(C)C)C1 ZINC001056013436 770551235 /nfs/dbraw/zinc/55/12/35/770551235.db2.gz JLSGVYLETAOZBQ-GOSISDBHSA-N 1 1 346.431 0.321 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019011277 770563141 /nfs/dbraw/zinc/56/31/41/770563141.db2.gz FRSUYXUYJFISPU-HNNXBMFYSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001056019889 770574218 /nfs/dbraw/zinc/57/42/18/770574218.db2.gz PTAAYWYCNPYWOR-MAUKXSAKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001056019890 770574334 /nfs/dbraw/zinc/57/43/34/770574334.db2.gz PTAAYWYCNPYWOR-QAPCUYQASA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)nsc2C)C1 ZINC000994292392 770593472 /nfs/dbraw/zinc/59/34/72/770593472.db2.gz VVPIXSLCXZJRFH-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)nsc2C)C1 ZINC000994292392 770593476 /nfs/dbraw/zinc/59/34/76/770593476.db2.gz VVPIXSLCXZJRFH-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCN(c3nccnc3C#N)CC2)CC[N@H+]1C ZINC001056054702 770691151 /nfs/dbraw/zinc/69/11/51/770691151.db2.gz MGKAPWWIWWLSIQ-DZGCQCFKSA-N 1 1 328.420 0.727 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001056060766 770710104 /nfs/dbraw/zinc/71/01/04/770710104.db2.gz MMMWTFOGICPNBA-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001056068241 770734683 /nfs/dbraw/zinc/73/46/83/770734683.db2.gz RWYQBKWGBCZFDT-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001056127702 770890241 /nfs/dbraw/zinc/89/02/41/770890241.db2.gz GVUBNWREPYDOHM-APWZRJJASA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ncc[nH]1)C2 ZINC001019142884 770914667 /nfs/dbraw/zinc/91/46/67/770914667.db2.gz DGLLRGRITHHXNP-AWEZNQCLSA-N 1 1 341.415 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ncc[nH]1)C2 ZINC001019142884 770914676 /nfs/dbraw/zinc/91/46/76/770914676.db2.gz DGLLRGRITHHXNP-AWEZNQCLSA-N 1 1 341.415 0.182 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CC(C)(C)O)C2 ZINC001019143586 770916289 /nfs/dbraw/zinc/91/62/89/770916289.db2.gz PZPMAAZTXLBAIQ-HNNXBMFYSA-N 1 1 347.459 0.306 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CC(C)(C)O)C2 ZINC001019143586 770916295 /nfs/dbraw/zinc/91/62/95/770916295.db2.gz PZPMAAZTXLBAIQ-HNNXBMFYSA-N 1 1 347.459 0.306 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+][C@H]1CCN(C(=O)c2[nH]nnc2C)C1 ZINC001019225307 771027197 /nfs/dbraw/zinc/02/71/97/771027197.db2.gz UNNXKTSSZUAILJ-AWEZNQCLSA-N 1 1 340.387 0.998 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC(C)(C)C1 ZINC001089392721 771028289 /nfs/dbraw/zinc/02/82/89/771028289.db2.gz WWTSCWGGUDGBNC-CYBMUJFWSA-N 1 1 346.435 0.007 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccccc3C#N)C2)C1 ZINC001031417839 771030004 /nfs/dbraw/zinc/03/00/04/771030004.db2.gz CWQHGEWQFPPBLM-QGZVFWFLSA-N 1 1 328.416 0.579 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccccc3C#N)C2)C1 ZINC001031417839 771030010 /nfs/dbraw/zinc/03/00/10/771030010.db2.gz CWQHGEWQFPPBLM-QGZVFWFLSA-N 1 1 328.416 0.579 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001031420292 771033447 /nfs/dbraw/zinc/03/34/47/771033447.db2.gz MOZYKBRJRFTARH-QGZVFWFLSA-N 1 1 346.406 0.718 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001031420292 771033452 /nfs/dbraw/zinc/03/34/52/771033452.db2.gz MOZYKBRJRFTARH-QGZVFWFLSA-N 1 1 346.406 0.718 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)CC(C)(C)C1 ZINC001089399009 771047036 /nfs/dbraw/zinc/04/70/36/771047036.db2.gz RUNOBLGNPJSFDJ-AWEZNQCLSA-N 1 1 343.493 0.815 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(c4ncc(C#N)cc4F)C[C@H]32)C1 ZINC001056254865 771047160 /nfs/dbraw/zinc/04/71/60/771047160.db2.gz SWBKPFPOTUMIBW-CVGURMSBSA-N 1 1 343.406 0.985 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001056307664 771100855 /nfs/dbraw/zinc/10/08/55/771100855.db2.gz UYXIMXVBEAASPQ-OEUWWYETSA-N 1 1 340.431 0.772 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]21 ZINC001042179509 782899646 /nfs/dbraw/zinc/89/96/46/782899646.db2.gz NHLXHMIXVWUCSO-HOTGVXAUSA-N 1 1 342.443 0.957 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)CC(C)(C)C1 ZINC001089456480 771226006 /nfs/dbraw/zinc/22/60/06/771226006.db2.gz ITIYTWNSDZTUJK-OAHLLOKOSA-N 1 1 336.480 0.601 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)CC(C)(C)C1 ZINC001089457523 771227692 /nfs/dbraw/zinc/22/76/92/771227692.db2.gz AFVGLNUKWPHRTJ-HNNXBMFYSA-N 1 1 334.464 0.048 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001056412355 771244617 /nfs/dbraw/zinc/24/46/17/771244617.db2.gz HWMYQHYWMORSGJ-APNQJHFZSA-N 1 1 326.404 0.383 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001019405417 771259041 /nfs/dbraw/zinc/25/90/41/771259041.db2.gz GVAVGWMDELNZRA-YUTCNCBUSA-N 1 1 332.408 0.290 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1=O ZINC001019419872 771270181 /nfs/dbraw/zinc/27/01/81/771270181.db2.gz WOXWWSDAFGKCJY-KBPBESRZSA-N 1 1 343.431 0.878 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccccc3O)C2)C1=O ZINC001031554475 771270489 /nfs/dbraw/zinc/27/04/89/771270489.db2.gz XMYKIJRFQLYYRA-OAHLLOKOSA-N 1 1 329.400 0.841 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001056442650 771273168 /nfs/dbraw/zinc/27/31/68/771273168.db2.gz HDXRZLMLMSWMCO-IRXDYDNUSA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)O1 ZINC001056464364 771300604 /nfs/dbraw/zinc/30/06/04/771300604.db2.gz WNCOIQAFKZNUMW-UFRBAHOGSA-N 1 1 341.415 0.223 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)O1 ZINC001056464364 771300608 /nfs/dbraw/zinc/30/06/08/771300608.db2.gz WNCOIQAFKZNUMW-UFRBAHOGSA-N 1 1 341.415 0.223 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001056467132 771304514 /nfs/dbraw/zinc/30/45/14/771304514.db2.gz MIIKZAIGGSYHMP-UIBIWLFHSA-N 1 1 335.411 0.602 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001056467132 771304520 /nfs/dbraw/zinc/30/45/20/771304520.db2.gz MIIKZAIGGSYHMP-UIBIWLFHSA-N 1 1 335.411 0.602 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@H]21 ZINC001056467372 771305006 /nfs/dbraw/zinc/30/50/06/771305006.db2.gz QQWPXXILSIPMDG-UIBIWLFHSA-N 1 1 339.443 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)nc(C)n3)C[C@H]21 ZINC001056467372 771305011 /nfs/dbraw/zinc/30/50/11/771305011.db2.gz QQWPXXILSIPMDG-UIBIWLFHSA-N 1 1 339.443 0.742 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)nc(C)n3)C[C@H]21 ZINC001056467372 771305018 /nfs/dbraw/zinc/30/50/18/771305018.db2.gz QQWPXXILSIPMDG-UIBIWLFHSA-N 1 1 339.443 0.742 20 30 ECEDMO C[C@@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001089496707 771345729 /nfs/dbraw/zinc/34/57/29/771345729.db2.gz SUEPUXNWIHZCQZ-STQMWFEESA-N 1 1 330.436 0.950 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3ncccn3)C2)nn1 ZINC001019482519 771346390 /nfs/dbraw/zinc/34/63/90/771346390.db2.gz YGUUQSJSDQVCFU-OLZOCXBDSA-N 1 1 327.392 0.819 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001031595322 771365936 /nfs/dbraw/zinc/36/59/36/771365936.db2.gz UPOIKEVFAHKNJI-KRWDZBQOSA-N 1 1 346.406 0.576 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001031595322 771365938 /nfs/dbraw/zinc/36/59/38/771365938.db2.gz UPOIKEVFAHKNJI-KRWDZBQOSA-N 1 1 346.406 0.576 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001031600235 771382927 /nfs/dbraw/zinc/38/29/27/771382927.db2.gz LZNQGWUVYOPARW-CQSZACIVSA-N 1 1 330.388 0.236 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001056648370 771467258 /nfs/dbraw/zinc/46/72/58/771467258.db2.gz SDGCMXPGPZXYSO-CABCVRRESA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001056648370 771467260 /nfs/dbraw/zinc/46/72/60/771467260.db2.gz SDGCMXPGPZXYSO-CABCVRRESA-N 1 1 329.404 0.687 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)CC(C)(C)C1 ZINC001089555855 771473486 /nfs/dbraw/zinc/47/34/86/771473486.db2.gz NBJNPYKAENPUFR-LBPRGKRZSA-N 1 1 331.420 0.982 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@H]21 ZINC001042200675 782928360 /nfs/dbraw/zinc/92/83/60/782928360.db2.gz IOILVYAFJXIENF-DZGCQCFKSA-N 1 1 329.400 0.867 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089569079 771530388 /nfs/dbraw/zinc/53/03/88/771530388.db2.gz BHIUTUYFSZOPPU-KGLIPLIRSA-N 1 1 333.432 0.669 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)no1 ZINC001056727296 771561975 /nfs/dbraw/zinc/56/19/75/771561975.db2.gz UPQUOICUBHGNNK-GFCCVEGCSA-N 1 1 341.375 0.724 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3nccc(C)n3)C2)C1=O ZINC001031642485 771571909 /nfs/dbraw/zinc/57/19/09/771571909.db2.gz OLKHLFIEERBWMD-CQSZACIVSA-N 1 1 329.404 0.234 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC(C)C)CCCO1 ZINC001019611231 771592217 /nfs/dbraw/zinc/59/22/17/771592217.db2.gz DRRCNZQKNDABDW-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC(C)C)CCCO1 ZINC001019611231 771592220 /nfs/dbraw/zinc/59/22/20/771592220.db2.gz DRRCNZQKNDABDW-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO NC(=O)C(=O)N1CC[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C1 ZINC001042210000 782941869 /nfs/dbraw/zinc/94/18/69/782941869.db2.gz FMWFEBICPUKUTA-GDBMZVCRSA-N 1 1 329.375 0.585 20 30 ECEDMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C1 ZINC001042210000 782941874 /nfs/dbraw/zinc/94/18/74/782941874.db2.gz FMWFEBICPUKUTA-GDBMZVCRSA-N 1 1 329.375 0.585 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2nccc(OC)n2)C1 ZINC001056811097 771674129 /nfs/dbraw/zinc/67/41/29/771674129.db2.gz IBDBUKNKLBMJFL-KGLIPLIRSA-N 1 1 329.404 0.596 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2nccc(OC)n2)C1 ZINC001056811097 771674132 /nfs/dbraw/zinc/67/41/32/771674132.db2.gz IBDBUKNKLBMJFL-KGLIPLIRSA-N 1 1 329.404 0.596 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)c(F)c1 ZINC001042211241 782944491 /nfs/dbraw/zinc/94/44/91/782944491.db2.gz PKQINXYEQVHBND-DOMZBBRYSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)c(F)c1 ZINC001042211241 782944492 /nfs/dbraw/zinc/94/44/92/782944492.db2.gz PKQINXYEQVHBND-DOMZBBRYSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)c1 ZINC001042211973 782946645 /nfs/dbraw/zinc/94/66/45/782946645.db2.gz XKSNWUIJBOUXLM-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)c1 ZINC001042211973 782946646 /nfs/dbraw/zinc/94/66/46/782946646.db2.gz XKSNWUIJBOUXLM-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCO[C@H](C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001078440514 782956317 /nfs/dbraw/zinc/95/63/17/782956317.db2.gz ASKDBOZVSXENAS-QWHCGFSZSA-N 1 1 336.440 0.690 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3nccnc3C#N)C2)C1 ZINC001056930764 771822457 /nfs/dbraw/zinc/82/24/57/771822457.db2.gz UCWLYHMYGXMDAK-ZFWWWQNUSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3nccnc3C#N)C2)C1 ZINC001056930764 771822459 /nfs/dbraw/zinc/82/24/59/771822459.db2.gz UCWLYHMYGXMDAK-ZFWWWQNUSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3cncc(C#N)n3)C2)C1 ZINC001056930506 771822566 /nfs/dbraw/zinc/82/25/66/771822566.db2.gz MDIXOCRXMDPUJC-LSDHHAIUSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3cncc(C#N)n3)C2)C1 ZINC001056930506 771822571 /nfs/dbraw/zinc/82/25/71/771822571.db2.gz MDIXOCRXMDPUJC-LSDHHAIUSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1nccnc1C#N)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056939831 771835918 /nfs/dbraw/zinc/83/59/18/771835918.db2.gz FALYCQRMUVPELE-AWEZNQCLSA-N 1 1 344.419 0.108 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc4c3COCC4)C2)[nH]1 ZINC001020080395 772134342 /nfs/dbraw/zinc/13/43/42/772134342.db2.gz VGVRTOMKKHABFL-HAQNSBGRSA-N 1 1 341.371 0.998 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]21 ZINC001042252917 782988230 /nfs/dbraw/zinc/98/82/30/782988230.db2.gz BHNVMPWYEGFSRO-ZIAGYGMSSA-N 1 1 326.462 0.756 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]21 ZINC001042252917 782988236 /nfs/dbraw/zinc/98/82/36/782988236.db2.gz BHNVMPWYEGFSRO-ZIAGYGMSSA-N 1 1 326.462 0.756 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001057170789 772211267 /nfs/dbraw/zinc/21/12/67/772211267.db2.gz AYXSAQOLMSAKLK-INIZCTEOSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001078465190 782996122 /nfs/dbraw/zinc/99/61/22/782996122.db2.gz REDSQXFGAVBDJM-ZDUSSCGKSA-N 1 1 334.424 0.274 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CCC[C@H]1C)NC(=O)c1cc(C#N)c[nH]1 ZINC001078465693 782997221 /nfs/dbraw/zinc/99/72/21/782997221.db2.gz HJFRCNQNQSEYNK-QWHCGFSZSA-N 1 1 331.420 0.995 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3(n4cnnn4)CCOCC3)C[C@@H]21 ZINC001042265771 783006444 /nfs/dbraw/zinc/00/64/44/783006444.db2.gz JDECDZOGDXQTQH-GJZGRUSLSA-N 1 1 346.435 0.288 20 30 ECEDMO N#Cc1ccc(NC2CCN(C(=O)CC[NH+]3CCOCC3)CC2)nn1 ZINC001057345852 772494321 /nfs/dbraw/zinc/49/43/21/772494321.db2.gz WFJJCMNASSJUQC-UHFFFAOYSA-N 1 1 344.419 0.473 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(CNc3ccncc3C#N)CC2)C1 ZINC001057483997 772672579 /nfs/dbraw/zinc/67/25/79/772672579.db2.gz VFJUXTSJDHGIPD-QGZVFWFLSA-N 1 1 343.431 0.356 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(CNc3ccncc3C#N)CC2)C1 ZINC001057483997 772672584 /nfs/dbraw/zinc/67/25/84/772672584.db2.gz VFJUXTSJDHGIPD-QGZVFWFLSA-N 1 1 343.431 0.356 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(CNc3cncc(C#N)n3)CC2)C1 ZINC001057501295 772690112 /nfs/dbraw/zinc/69/01/12/772690112.db2.gz FJSSVZBJTZAJQZ-AWEZNQCLSA-N 1 1 328.420 0.950 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 ZINC001057535786 772730720 /nfs/dbraw/zinc/73/07/20/772730720.db2.gz WPJOUWDULRTUNY-QGZVFWFLSA-N 1 1 349.475 0.315 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001057602022 772800233 /nfs/dbraw/zinc/80/02/33/772800233.db2.gz QMHLLFRQWNTGPO-HIFRSBDPSA-N 1 1 347.394 0.826 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001057602022 772800236 /nfs/dbraw/zinc/80/02/36/772800236.db2.gz QMHLLFRQWNTGPO-HIFRSBDPSA-N 1 1 347.394 0.826 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001057602024 772800242 /nfs/dbraw/zinc/80/02/42/772800242.db2.gz QMHLLFRQWNTGPO-ZFWWWQNUSA-N 1 1 347.394 0.826 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001057602024 772800247 /nfs/dbraw/zinc/80/02/47/772800247.db2.gz QMHLLFRQWNTGPO-ZFWWWQNUSA-N 1 1 347.394 0.826 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001057602275 772800598 /nfs/dbraw/zinc/80/05/98/772800598.db2.gz RLWNJHZPUTVQQB-TZMCWYRMSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001057602275 772800600 /nfs/dbraw/zinc/80/06/00/772800600.db2.gz RLWNJHZPUTVQQB-TZMCWYRMSA-N 1 1 330.392 0.082 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001057602979 772801498 /nfs/dbraw/zinc/80/14/98/772801498.db2.gz ZKSGBSWAXLXOAP-UKRRQHHQSA-N 1 1 344.419 0.390 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001057602979 772801501 /nfs/dbraw/zinc/80/15/01/772801501.db2.gz ZKSGBSWAXLXOAP-UKRRQHHQSA-N 1 1 344.419 0.390 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057636568 772844280 /nfs/dbraw/zinc/84/42/80/772844280.db2.gz UIGVBWMLTIARLL-YOEHRIQHSA-N 1 1 325.453 0.478 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](Nc2cnc(C#N)cn2)C1 ZINC001057652388 772868177 /nfs/dbraw/zinc/86/81/77/772868177.db2.gz CONFGAFNEANSKN-ZDUSSCGKSA-N 1 1 325.376 0.956 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001057652961 772868681 /nfs/dbraw/zinc/86/86/81/772868681.db2.gz JOATXKILLMSMGI-CYBMUJFWSA-N 1 1 325.376 0.378 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057718686 772942036 /nfs/dbraw/zinc/94/20/36/772942036.db2.gz QCKORPAEFPPHQT-IRXDYDNUSA-N 1 1 347.459 0.354 20 30 ECEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N ZINC001057742362 772959073 /nfs/dbraw/zinc/95/90/73/772959073.db2.gz AOBWUADAHZMBME-ZIAGYGMSSA-N 1 1 349.435 0.493 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001057755101 772966030 /nfs/dbraw/zinc/96/60/30/772966030.db2.gz GYFNDEFIDKUCMH-CQSZACIVSA-N 1 1 342.447 0.905 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057786179 772981785 /nfs/dbraw/zinc/98/17/85/772981785.db2.gz LFLNAIKFRANOOP-OAHLLOKOSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057786179 772981788 /nfs/dbraw/zinc/98/17/88/772981788.db2.gz LFLNAIKFRANOOP-OAHLLOKOSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccncc3C#N)CC2)C1 ZINC001057845778 773064126 /nfs/dbraw/zinc/06/41/26/773064126.db2.gz YPIKQXAUTUFTQP-MRXNPFEDSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccncc3C#N)CC2)C1 ZINC001057845778 773064128 /nfs/dbraw/zinc/06/41/28/773064128.db2.gz YPIKQXAUTUFTQP-MRXNPFEDSA-N 1 1 329.404 0.369 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001057864067 773090085 /nfs/dbraw/zinc/09/00/85/773090085.db2.gz AUFYXVZGOORQAM-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057875870 773112742 /nfs/dbraw/zinc/11/27/42/773112742.db2.gz PFCLILIVBRDBPO-CQSZACIVSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057875870 773112743 /nfs/dbraw/zinc/11/27/43/773112743.db2.gz PFCLILIVBRDBPO-CQSZACIVSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057885502 773131308 /nfs/dbraw/zinc/13/13/08/773131308.db2.gz ZJXGYMKJNNISEA-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001057942459 773235424 /nfs/dbraw/zinc/23/54/24/773235424.db2.gz HCDYFMBNHHQLOZ-UHFFFAOYSA-N 1 1 349.435 0.167 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057945681 773245618 /nfs/dbraw/zinc/24/56/18/773245618.db2.gz CNAUMRVVWGKIHC-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C=C(\C)CC ZINC001057960898 773288982 /nfs/dbraw/zinc/28/89/82/773288982.db2.gz AITUVUQGNNZIKN-IYOXOMEYSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C=C(\C)CC ZINC001057960898 773288986 /nfs/dbraw/zinc/28/89/86/773288986.db2.gz AITUVUQGNNZIKN-IYOXOMEYSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCC1(C)C ZINC001057962220 773294741 /nfs/dbraw/zinc/29/47/41/773294741.db2.gz NBWXZAONLCEXGJ-HOTGVXAUSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCC1(C)C ZINC001057962220 773294742 /nfs/dbraw/zinc/29/47/42/773294742.db2.gz NBWXZAONLCEXGJ-HOTGVXAUSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001057973946 773317456 /nfs/dbraw/zinc/31/74/56/773317456.db2.gz FGAOYUWRESKMQR-IRXDYDNUSA-N 1 1 349.475 0.744 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058043260 773415607 /nfs/dbraw/zinc/41/56/07/773415607.db2.gz FETMNMLUXKERKT-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058043260 773415609 /nfs/dbraw/zinc/41/56/09/773415609.db2.gz FETMNMLUXKERKT-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058134440 773604590 /nfs/dbraw/zinc/60/45/90/773604590.db2.gz FAQGQEPDNXALEP-NVXWUHKLSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058134440 773604593 /nfs/dbraw/zinc/60/45/93/773604593.db2.gz FAQGQEPDNXALEP-NVXWUHKLSA-N 1 1 343.431 0.677 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058158437 773661283 /nfs/dbraw/zinc/66/12/83/773661283.db2.gz YMVQMQPVQVTUTB-YJBOKZPZSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058158434 773661353 /nfs/dbraw/zinc/66/13/53/773661353.db2.gz YMVQMQPVQVTUTB-CRAIPNDOSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058158371 773661772 /nfs/dbraw/zinc/66/17/72/773661772.db2.gz XFADZNMONCZPTJ-CQSZACIVSA-N 1 1 325.453 0.478 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058177057 773707884 /nfs/dbraw/zinc/70/78/84/773707884.db2.gz OMXBTZKXAVFIIA-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058241266 773828645 /nfs/dbraw/zinc/82/86/45/773828645.db2.gz MWUJXFBZZXAPJO-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)CC[N@H+](C)CCC ZINC001058252521 773845370 /nfs/dbraw/zinc/84/53/70/773845370.db2.gz NAFNYYCBISDJLU-UHFFFAOYSA-N 1 1 325.453 0.459 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058255427 773854525 /nfs/dbraw/zinc/85/45/25/773854525.db2.gz PEMZBJRTPSKQOC-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040631184 783137489 /nfs/dbraw/zinc/13/74/89/783137489.db2.gz ZLVJZMSBIWTFQJ-CRAIPNDOSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001058302461 773936748 /nfs/dbraw/zinc/93/67/48/773936748.db2.gz UELNLJNUEQYTMC-SFHVURJKSA-N 1 1 337.464 0.622 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058447404 774200511 /nfs/dbraw/zinc/20/05/11/774200511.db2.gz WUWXIQKCSFRJEW-ZFWWWQNUSA-N 1 1 328.420 0.916 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001058546821 774408352 /nfs/dbraw/zinc/40/83/52/774408352.db2.gz OLGXEGKGCYTFGQ-KBPBESRZSA-N 1 1 342.447 0.947 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058582912 774475724 /nfs/dbraw/zinc/47/57/24/774475724.db2.gz VFVUAXWANYRVLW-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO Cc1nc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccc1C#N ZINC001058587497 774484288 /nfs/dbraw/zinc/48/42/88/774484288.db2.gz CBOGXYWFQPUKJW-UHOFOFEASA-N 1 1 343.431 0.676 20 30 ECEDMO Cc1nc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccc1C#N ZINC001058587497 774484293 /nfs/dbraw/zinc/48/42/93/774484293.db2.gz CBOGXYWFQPUKJW-UHOFOFEASA-N 1 1 343.431 0.676 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001058626712 774565493 /nfs/dbraw/zinc/56/54/93/774565493.db2.gz VWSPSXVBEPCTFW-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C#CC(C)(C)C)C2)CC[N@H+]1C ZINC001039857993 783199058 /nfs/dbraw/zinc/19/90/58/783199058.db2.gz JLZSSSWCXHGGSY-CLCXKQKWSA-N 1 1 349.475 0.456 20 30 ECEDMO C=CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039859177 783201741 /nfs/dbraw/zinc/20/17/41/783201741.db2.gz YMXKSJVBMZZSST-RKVPGOIHSA-N 1 1 337.464 0.763 20 30 ECEDMO CC(C)n1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001044980751 774795861 /nfs/dbraw/zinc/79/58/61/774795861.db2.gz ARQFYWCQCPGYKK-ZDUSSCGKSA-N 1 1 342.407 0.848 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001045152434 775063548 /nfs/dbraw/zinc/06/35/48/775063548.db2.gz GMBGUAAQRLJSQG-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2C#N)C1 ZINC001045430786 775602385 /nfs/dbraw/zinc/60/23/85/775602385.db2.gz OOBBRRYYLSBYNN-ZACQAIPSSA-N 1 1 343.431 0.545 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2C#N)C1 ZINC001045430786 775602388 /nfs/dbraw/zinc/60/23/88/775602388.db2.gz OOBBRRYYLSBYNN-ZACQAIPSSA-N 1 1 343.431 0.545 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070027465 790377357 /nfs/dbraw/zinc/37/73/57/790377357.db2.gz IFVOFSKDONXSTB-CABCVRRESA-N 1 1 329.408 0.401 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2(C)CCN([C@@H]3CCNC3=O)CC2)CC1 ZINC001045646444 775959648 /nfs/dbraw/zinc/95/96/48/775959648.db2.gz JCWPIZSCBLEGAY-MRXNPFEDSA-N 1 1 346.475 0.191 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CCN(CC#N)CC2 ZINC001045673407 776014412 /nfs/dbraw/zinc/01/44/12/776014412.db2.gz RKIKAYNIAYLMRT-CVEARBPZSA-N 1 1 334.464 0.982 20 30 ECEDMO CC#CC[NH+]1CCC2(CO[C@H](CNC(=O)C3=NC(=O)N(C)C3)C2)CC1 ZINC001045677799 776024578 /nfs/dbraw/zinc/02/45/78/776024578.db2.gz BBCAMQWYBCYOLO-AWEZNQCLSA-N 1 1 346.431 0.750 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001044294626 776079599 /nfs/dbraw/zinc/07/95/99/776079599.db2.gz PTGMJCJEFGYENF-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001044322618 776149354 /nfs/dbraw/zinc/14/93/54/776149354.db2.gz KTRPSWHXKQIONS-GOSISDBHSA-N 1 1 342.443 0.922 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001044322618 776149365 /nfs/dbraw/zinc/14/93/65/776149365.db2.gz KTRPSWHXKQIONS-GOSISDBHSA-N 1 1 342.443 0.922 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCCNC2=O)c[nH]1 ZINC001045758542 776150317 /nfs/dbraw/zinc/15/03/17/776150317.db2.gz YFWGHODBPLDKKC-PMPSAXMXSA-N 1 1 341.415 0.844 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CN(C[C@H]3CCCOC3)C2)CC1 ZINC001044334929 776177775 /nfs/dbraw/zinc/17/77/75/776177775.db2.gz BECYSGNKYRSJAJ-MRXNPFEDSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CN(C[C@@H]3CCCOC3)C2)CC1 ZINC001044334928 776177865 /nfs/dbraw/zinc/17/78/65/776177865.db2.gz BECYSGNKYRSJAJ-INIZCTEOSA-N 1 1 333.476 0.901 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3ncc(C#N)cc3F)C[C@@H]2O)C1 ZINC001044546358 776416623 /nfs/dbraw/zinc/41/66/23/776416623.db2.gz CMFSGGHNRJAXKR-GLQYFDAESA-N 1 1 347.394 0.100 20 30 ECEDMO CCN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079617672 776533383 /nfs/dbraw/zinc/53/33/83/776533383.db2.gz HIQYCRWFYFHHRP-UHFFFAOYSA-N 1 1 331.420 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(C)C)O2 ZINC001068519369 790462038 /nfs/dbraw/zinc/46/20/38/790462038.db2.gz MOGQEXIRECTDBM-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(C)C)O2 ZINC001068519369 790462042 /nfs/dbraw/zinc/46/20/42/790462042.db2.gz MOGQEXIRECTDBM-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001079675353 776667664 /nfs/dbraw/zinc/66/76/64/776667664.db2.gz SDIIXNQGALWRBJ-MGPQQGTHSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001079675353 776667667 /nfs/dbraw/zinc/66/76/67/776667667.db2.gz SDIIXNQGALWRBJ-MGPQQGTHSA-N 1 1 331.420 0.555 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001079690293 776693852 /nfs/dbraw/zinc/69/38/52/776693852.db2.gz UJEITPMHKJXMCD-KSSFIOAISA-N 1 1 337.464 0.715 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079772484 776839879 /nfs/dbraw/zinc/83/98/79/776839879.db2.gz VZLCHWXKRJJHCR-HNNXBMFYSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079773585 776842212 /nfs/dbraw/zinc/84/22/12/776842212.db2.gz QVCFXZNCOVUCKV-KRWDZBQOSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079804080 776902492 /nfs/dbraw/zinc/90/24/92/776902492.db2.gz SKWBAHDFVDQKGO-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070066069 790491062 /nfs/dbraw/zinc/49/10/62/790491062.db2.gz RYYPCVPZWOQQAH-CABCVRRESA-N 1 1 343.435 0.517 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070066069 790491070 /nfs/dbraw/zinc/49/10/70/790491070.db2.gz RYYPCVPZWOQQAH-CABCVRRESA-N 1 1 343.435 0.517 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(CCC)nn2)[C@@H](n2ccnn2)C1 ZINC001070066090 790491316 /nfs/dbraw/zinc/49/13/16/790491316.db2.gz TUCAATRJHJLZRG-HIFRSBDPSA-N 1 1 344.423 0.511 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 ZINC001079827432 776945463 /nfs/dbraw/zinc/94/54/63/776945463.db2.gz BEAZVDNSICIKKD-HZSPNIEDSA-N 1 1 332.452 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1C ZINC001079878108 777011854 /nfs/dbraw/zinc/01/18/54/777011854.db2.gz GMYHFPBAPYIAOF-YUELXQCFSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1C ZINC001079878108 777011860 /nfs/dbraw/zinc/01/18/60/777011860.db2.gz GMYHFPBAPYIAOF-YUELXQCFSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001079928979 777098606 /nfs/dbraw/zinc/09/86/06/777098606.db2.gz ZVLGIWJMCHCXAX-DOTOQJQBSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(N(CC)C(=O)C[N@@H+](C)C(C)C)C2)nn1 ZINC001079930950 777105560 /nfs/dbraw/zinc/10/55/60/777105560.db2.gz DURAQXJNTAQQGB-UHFFFAOYSA-N 1 1 348.451 0.477 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+](C)CCC)C1 ZINC001079981545 777188251 /nfs/dbraw/zinc/18/82/51/777188251.db2.gz UHJUZOOERYRPRF-CQSZACIVSA-N 1 1 325.453 0.979 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001068540008 790519331 /nfs/dbraw/zinc/51/93/31/790519331.db2.gz WRKIYGIZWQNWSR-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[C@H](C)OC)C1 ZINC001080008926 777221619 /nfs/dbraw/zinc/22/16/19/777221619.db2.gz JILPQACXWWFCIL-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[C@H](C)OC)C1 ZINC001080008926 777221628 /nfs/dbraw/zinc/22/16/28/777221628.db2.gz JILPQACXWWFCIL-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001080031312 777267758 /nfs/dbraw/zinc/26/77/58/777267758.db2.gz DVSZCHZPAKSHAR-VXGBXAGGSA-N 1 1 330.417 0.797 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001080051271 777305293 /nfs/dbraw/zinc/30/52/93/777305293.db2.gz QPLZYCDYXCSBEA-QAPCUYQASA-N 1 1 337.464 0.857 20 30 ECEDMO CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CSCC#N)C1 ZINC001080138518 777444003 /nfs/dbraw/zinc/44/40/03/777444003.db2.gz JGHHWTQGALRIJH-CYBMUJFWSA-N 1 1 338.477 0.644 20 30 ECEDMO CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001080140611 777450400 /nfs/dbraw/zinc/45/04/00/777450400.db2.gz XCWWIEFAVINGOI-ZDUSSCGKSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080177782 777507631 /nfs/dbraw/zinc/50/76/31/777507631.db2.gz ABJVHUKAPZZDMM-NLGTXKQRSA-N 1 1 347.459 0.875 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070085842 790554360 /nfs/dbraw/zinc/55/43/60/790554360.db2.gz VPYKYCHCOBVKEF-XHSDSOJGSA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070085842 790554363 /nfs/dbraw/zinc/55/43/63/790554363.db2.gz VPYKYCHCOBVKEF-XHSDSOJGSA-N 1 1 346.435 0.064 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261205 777623075 /nfs/dbraw/zinc/62/30/75/777623075.db2.gz GKXROFWJNWUHIA-DIOULYMOSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261205 777623083 /nfs/dbraw/zinc/62/30/83/777623083.db2.gz GKXROFWJNWUHIA-DIOULYMOSA-N 1 1 344.390 0.770 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080414487 777816786 /nfs/dbraw/zinc/81/67/86/777816786.db2.gz MQJOVMUYDGETJC-OCCSQVGLSA-N 1 1 343.431 0.973 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001080468671 777901579 /nfs/dbraw/zinc/90/15/79/777901579.db2.gz VWVKDMHMYQPMDH-BMFZPTHFSA-N 1 1 345.447 0.415 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001043211390 777973241 /nfs/dbraw/zinc/97/32/41/777973241.db2.gz FSBIROZZPMUITA-YUELXQCFSA-N 1 1 344.419 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001043211390 777973248 /nfs/dbraw/zinc/97/32/48/777973248.db2.gz FSBIROZZPMUITA-YUELXQCFSA-N 1 1 344.419 0.328 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ccncc1C#N ZINC001043250620 778046044 /nfs/dbraw/zinc/04/60/44/778046044.db2.gz FOUQIGLNUGHHTF-CKEIUWERSA-N 1 1 327.432 0.976 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001043413988 778288562 /nfs/dbraw/zinc/28/85/62/778288562.db2.gz HXSOWGUFZKWFQV-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043461866 778372013 /nfs/dbraw/zinc/37/20/13/778372013.db2.gz FYSYTOATRVJGMH-MRXNPFEDSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)C3CCC3)C2)CCC1 ZINC001043531091 778480004 /nfs/dbraw/zinc/48/00/04/778480004.db2.gz QENGQXOTIPVCHX-UHFFFAOYSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001043532655 778483207 /nfs/dbraw/zinc/48/32/07/778483207.db2.gz CJOMEWLIYUVNAT-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001043537091 778491075 /nfs/dbraw/zinc/49/10/75/778491075.db2.gz RNABBBHQWMJQAF-KBPBESRZSA-N 1 1 337.464 0.618 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043577352 778540234 /nfs/dbraw/zinc/54/02/34/778540234.db2.gz SEUVRNOBWYDWPP-RBSFLKMASA-N 1 1 342.447 0.903 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001043660900 778681711 /nfs/dbraw/zinc/68/17/11/778681711.db2.gz PAJLAAKOVWEZSV-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068588947 790645228 /nfs/dbraw/zinc/64/52/28/790645228.db2.gz OYGQJPPYNPJMBG-XDQVBPFNSA-N 1 1 328.420 0.275 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068591853 790656310 /nfs/dbraw/zinc/65/63/10/790656310.db2.gz SXMRLUTXVTVXDI-IHRRRGAJSA-N 1 1 328.420 0.561 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNc3nccnc3C#N)C2)C1 ZINC001068591964 790657382 /nfs/dbraw/zinc/65/73/82/790657382.db2.gz VBAFXXLAFKAVMF-IHRRRGAJSA-N 1 1 328.420 0.997 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3cncc(C#N)n3)C2)O1 ZINC001068614993 790713197 /nfs/dbraw/zinc/71/31/97/790713197.db2.gz HGPSXYUUZFPSKS-RGCMKSIDSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3cncc(C#N)n3)C2)O1 ZINC001068614993 790713199 /nfs/dbraw/zinc/71/31/99/790713199.db2.gz HGPSXYUUZFPSKS-RGCMKSIDSA-N 1 1 344.419 0.374 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068616374 790716506 /nfs/dbraw/zinc/71/65/06/790716506.db2.gz IRZYMPGUGDPEQS-MGPQQGTHSA-N 1 1 328.420 0.561 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001068622734 790738893 /nfs/dbraw/zinc/73/88/93/790738893.db2.gz KFIVGKKWQVNQRH-UONOGXRCSA-N 1 1 336.436 0.362 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]21 ZINC001042288338 779995799 /nfs/dbraw/zinc/99/57/99/779995799.db2.gz SCICQFKKRJSLOC-JKSUJKDBSA-N 1 1 330.432 0.969 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC001042301680 780022877 /nfs/dbraw/zinc/02/28/77/780022877.db2.gz LXRUDRCLLDKOEB-KBPBESRZSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001078535434 780096871 /nfs/dbraw/zinc/09/68/71/780096871.db2.gz QCGKKROGDCGZAO-ZNMIVQPWSA-N 1 1 325.453 0.930 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001078535538 780097919 /nfs/dbraw/zinc/09/79/19/780097919.db2.gz WFOBRJWRAKKHAK-ZNMIVQPWSA-N 1 1 325.453 0.930 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001042349745 780117689 /nfs/dbraw/zinc/11/76/89/780117689.db2.gz SWELYIIJPPDYIC-QWHCGFSZSA-N 1 1 329.404 0.688 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C ZINC001042358581 780140632 /nfs/dbraw/zinc/14/06/32/780140632.db2.gz HXIIOSFJQWTTSV-BXUZGUMPSA-N 1 1 325.376 0.494 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)C[C@@H]21 ZINC001042361178 780144254 /nfs/dbraw/zinc/14/42/54/780144254.db2.gz AYXIZPMZVONFTI-YOEHRIQHSA-N 1 1 341.411 0.720 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]21 ZINC001042388617 780191850 /nfs/dbraw/zinc/19/18/50/780191850.db2.gz SDCMZZRQFGCQBU-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]21 ZINC001042388614 780192168 /nfs/dbraw/zinc/19/21/68/780192168.db2.gz SDCMZZRQFGCQBU-BBRMVZONSA-N 1 1 326.400 0.740 20 30 ECEDMO Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)o1 ZINC001070160991 790790190 /nfs/dbraw/zinc/79/01/90/790790190.db2.gz PQHUYZNPSCGRIP-GDLCADMTSA-N 1 1 329.364 0.276 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001042776825 780796794 /nfs/dbraw/zinc/79/67/94/780796794.db2.gz VASYTXUYUOLTET-BZUAXINKSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042801766 780846929 /nfs/dbraw/zinc/84/69/29/780846929.db2.gz SWHSZUDXTNKDCS-INIZCTEOSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001042806852 780857020 /nfs/dbraw/zinc/85/70/20/780857020.db2.gz LIWNOWOCOIKDKV-HZPDHXFCSA-N 1 1 347.459 0.496 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001079341423 781003658 /nfs/dbraw/zinc/00/36/58/781003658.db2.gz CCTXMPZNDVOXEJ-CYBMUJFWSA-N 1 1 338.477 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C=C(\C)CC)C1 ZINC001042926372 781049365 /nfs/dbraw/zinc/04/93/65/781049365.db2.gz GHZWHRPAYRTVRE-IPJDOKCGSA-N 1 1 333.432 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C=C(\C)CC)C1 ZINC001042926372 781049370 /nfs/dbraw/zinc/04/93/70/781049370.db2.gz GHZWHRPAYRTVRE-IPJDOKCGSA-N 1 1 333.432 0.130 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001042937723 781067091 /nfs/dbraw/zinc/06/70/91/781067091.db2.gz KFZQNQOCULDOPN-CVEARBPZSA-N 1 1 347.459 0.210 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001042942726 781076229 /nfs/dbraw/zinc/07/62/29/781076229.db2.gz BPHAFAJJNODRPG-OAHLLOKOSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCn2cc(Cl)cn2)C1 ZINC001042959804 781100655 /nfs/dbraw/zinc/10/06/55/781100655.db2.gz FBRXNYQTVXBTTM-INIZCTEOSA-N 1 1 349.866 0.777 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCn2cc(Cl)cn2)C1 ZINC001042959804 781100661 /nfs/dbraw/zinc/10/06/61/781100661.db2.gz FBRXNYQTVXBTTM-INIZCTEOSA-N 1 1 349.866 0.777 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(CC)o2)C1 ZINC001042959980 781100735 /nfs/dbraw/zinc/10/07/35/781100735.db2.gz JAIKTEKWRAXCOZ-AWEZNQCLSA-N 1 1 331.420 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(CC)o2)C1 ZINC001042959980 781100738 /nfs/dbraw/zinc/10/07/38/781100738.db2.gz JAIKTEKWRAXCOZ-AWEZNQCLSA-N 1 1 331.420 0.372 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)CC[N@H+]1C ZINC001042970015 781117878 /nfs/dbraw/zinc/11/78/78/781117878.db2.gz GAEINIFDCYLMFY-ZIAGYGMSSA-N 1 1 335.448 0.066 20 30 ECEDMO CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001042974997 781123913 /nfs/dbraw/zinc/12/39/13/781123913.db2.gz RDNNTRQSLZBHCL-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3=COCCC3)C2)C1=O ZINC001079485933 781171354 /nfs/dbraw/zinc/17/13/54/781171354.db2.gz DSIDHSFNYLDQHW-BMFZPTHFSA-N 1 1 333.432 0.904 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001043016837 781186824 /nfs/dbraw/zinc/18/68/24/781186824.db2.gz VOAJUAUDQGREBY-RBSFLKMASA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 ZINC001043022696 781201987 /nfs/dbraw/zinc/20/19/87/781201987.db2.gz HIRCEQUBUIWLNZ-MRXNPFEDSA-N 1 1 347.459 0.352 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ocnc3C)C2)C1=O ZINC001079535336 781236735 /nfs/dbraw/zinc/23/67/35/781236735.db2.gz OOYHNUBXMWBQFL-MRVWCRGKSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ocnc3C)C2)C1=O ZINC001079535336 781236739 /nfs/dbraw/zinc/23/67/39/781236739.db2.gz OOYHNUBXMWBQFL-MRVWCRGKSA-N 1 1 332.404 0.820 20 30 ECEDMO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079543412 781247434 /nfs/dbraw/zinc/24/74/34/781247434.db2.gz AARTTZPDRYVUCU-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(Cc3ccc(C#N)cc3)C2)O1 ZINC001043067327 781266863 /nfs/dbraw/zinc/26/68/63/781266863.db2.gz MECLAFXIOPNFDX-RDTXWAMCSA-N 1 1 342.443 0.920 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(Cc3ccc(C#N)cc3)C2)O1 ZINC001043067327 781266868 /nfs/dbraw/zinc/26/68/68/781266868.db2.gz MECLAFXIOPNFDX-RDTXWAMCSA-N 1 1 342.443 0.920 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)NC(=O)C#CC1CC1 ZINC001077625438 781373548 /nfs/dbraw/zinc/37/35/48/781373548.db2.gz GRPJMSGURWFOPV-QGILYTQXSA-N 1 1 345.443 0.274 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2O)C1 ZINC001077644017 781415283 /nfs/dbraw/zinc/41/52/83/781415283.db2.gz NAMQIMHNLYYMQH-RRFJBIMHSA-N 1 1 335.448 0.420 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O ZINC001041403138 781440911 /nfs/dbraw/zinc/44/09/11/781440911.db2.gz HCLOHKZHWXAUHF-DJIMGWMZSA-N 1 1 343.431 0.493 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O ZINC001077675242 781479481 /nfs/dbraw/zinc/47/94/81/781479481.db2.gz GMDWAWKWWPWAKW-ZTFGCOKTSA-N 1 1 342.443 0.704 20 30 ECEDMO CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685455 781510667 /nfs/dbraw/zinc/51/06/67/781510667.db2.gz SJPSAECEDYXYDJ-HZPDHXFCSA-N 1 1 332.404 0.069 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(=O)n(CCOC)c3)C2)C1 ZINC001041436310 781510997 /nfs/dbraw/zinc/51/09/97/781510997.db2.gz DNMRMEWPEWBQGE-IBGZPJMESA-N 1 1 343.427 0.666 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC001041451569 781544778 /nfs/dbraw/zinc/54/47/78/781544778.db2.gz NERPZINXTFSCPI-YJBOKZPZSA-N 1 1 332.448 0.725 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](CCC)OC ZINC001077718596 781580574 /nfs/dbraw/zinc/58/05/74/781580574.db2.gz VZSFCHQUUYEFLC-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](CCC)OC ZINC001077718596 781580583 /nfs/dbraw/zinc/58/05/83/781580583.db2.gz VZSFCHQUUYEFLC-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCCC2)C1 ZINC001077765247 781663361 /nfs/dbraw/zinc/66/33/61/781663361.db2.gz FFEBGMYQHLRWLL-HZPDHXFCSA-N 1 1 337.464 0.369 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CCN(C(=O)c4cnco4)C3)C2)C1=O ZINC001041514399 781676376 /nfs/dbraw/zinc/67/63/76/781676376.db2.gz HJFOCGOVWZSZCN-KBXCAEBGSA-N 1 1 344.415 1.000 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2O)nn1 ZINC001077801418 781721744 /nfs/dbraw/zinc/72/17/44/781721744.db2.gz QUUHNCSFTDZQAX-GDBMZVCRSA-N 1 1 333.436 0.819 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2O)nn1 ZINC001077801131 781722114 /nfs/dbraw/zinc/72/21/14/781722114.db2.gz DVEOGPWWIWEBBD-NVXWUHKLSA-N 1 1 341.415 0.482 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(C(C)(C)C)c2=O)C1 ZINC001077805983 781727404 /nfs/dbraw/zinc/72/74/04/781727404.db2.gz XPYQPEHCTPEYMD-HUUCEWRRSA-N 1 1 331.416 0.402 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(C(C)(C)C)c2=O)C1 ZINC001077805983 781727410 /nfs/dbraw/zinc/72/74/10/781727410.db2.gz XPYQPEHCTPEYMD-HUUCEWRRSA-N 1 1 331.416 0.402 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041540273 781730167 /nfs/dbraw/zinc/73/01/67/781730167.db2.gz LVCVOELGBDHVQZ-MRXNPFEDSA-N 1 1 340.855 0.095 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041540273 781730171 /nfs/dbraw/zinc/73/01/71/781730171.db2.gz LVCVOELGBDHVQZ-MRXNPFEDSA-N 1 1 340.855 0.095 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC001041604882 781837716 /nfs/dbraw/zinc/83/77/16/781837716.db2.gz HYUFBXZMDHKLRI-SFHVURJKSA-N 1 1 329.400 0.869 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)c1 ZINC001077899632 781901495 /nfs/dbraw/zinc/90/14/95/781901495.db2.gz OZSZTSIBXVYUDB-HUUCEWRRSA-N 1 1 325.372 0.185 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)c1 ZINC001077899632 781901500 /nfs/dbraw/zinc/90/15/00/781901500.db2.gz OZSZTSIBXVYUDB-HUUCEWRRSA-N 1 1 325.372 0.185 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001040730135 783342335 /nfs/dbraw/zinc/34/23/35/783342335.db2.gz WUKWBFZIUWGSLI-KRWDZBQOSA-N 1 1 325.453 0.764 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001040040569 783422146 /nfs/dbraw/zinc/42/21/46/783422146.db2.gz DPMIZFBTPAMPQL-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)C#CC(C)C)C1 ZINC001040097083 783532936 /nfs/dbraw/zinc/53/29/36/783532936.db2.gz VMJAZTGGPNGCAU-VQIMIIECSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC001070199221 783643275 /nfs/dbraw/zinc/64/32/75/783643275.db2.gz MOKPRRDXNLBXTA-XFMPKHEZSA-N 1 1 337.811 0.409 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCOCC1 ZINC001070254403 783749516 /nfs/dbraw/zinc/74/95/16/783749516.db2.gz JTDFBQOIASWEDA-JKSUJKDBSA-N 1 1 349.475 0.769 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccc(F)cc2)C1 ZINC001038138827 783907265 /nfs/dbraw/zinc/90/72/65/783907265.db2.gz YAUGHGBZCDACPI-ROUUACIJSA-N 1 1 345.418 0.698 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccc(F)cc2)C1 ZINC001038138827 783907268 /nfs/dbraw/zinc/90/72/68/783907268.db2.gz YAUGHGBZCDACPI-ROUUACIJSA-N 1 1 345.418 0.698 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCc2ccncc2O[C@H]2CCN(CC#N)C2)C1 ZINC001070388436 783937762 /nfs/dbraw/zinc/93/77/62/783937762.db2.gz HECKLDHAGSXPRL-CVEARBPZSA-N 1 1 343.431 0.626 20 30 ECEDMO Cn1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1=O ZINC001038169304 783943624 /nfs/dbraw/zinc/94/36/24/783943624.db2.gz NFPRVYZFZILAEZ-CQSZACIVSA-N 1 1 325.372 0.589 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1=O ZINC001038169304 783943634 /nfs/dbraw/zinc/94/36/34/783943634.db2.gz NFPRVYZFZILAEZ-CQSZACIVSA-N 1 1 325.372 0.589 20 30 ECEDMO Cn1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)cc1=O ZINC001038175197 783950904 /nfs/dbraw/zinc/95/09/04/783950904.db2.gz MSBWGYJLKFKJEJ-OAHLLOKOSA-N 1 1 325.372 0.589 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)cc1=O ZINC001038175197 783950910 /nfs/dbraw/zinc/95/09/10/783950910.db2.gz MSBWGYJLKFKJEJ-OAHLLOKOSA-N 1 1 325.372 0.589 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCN2C)C1 ZINC001070400163 783968775 /nfs/dbraw/zinc/96/87/75/783968775.db2.gz SJYBQZVXVSNVIB-GOEBONIOSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCN2C)C1 ZINC001070400163 783968780 /nfs/dbraw/zinc/96/87/80/783968780.db2.gz SJYBQZVXVSNVIB-GOEBONIOSA-N 1 1 329.448 0.933 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001070409300 783995945 /nfs/dbraw/zinc/99/59/45/783995945.db2.gz AEBFYVOYIWEOQT-VNHYZAJKSA-N 1 1 345.447 0.916 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001070409791 783997418 /nfs/dbraw/zinc/99/74/18/783997418.db2.gz MJZXDFSWSNXORB-XUWXXGDYSA-N 1 1 328.416 0.875 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001070409967 783997437 /nfs/dbraw/zinc/99/74/37/783997437.db2.gz QOBCVBPHDLTRTE-KBPBESRZSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001070411663 784002139 /nfs/dbraw/zinc/00/21/39/784002139.db2.gz VIHICAWJLBXEQQ-CYBMUJFWSA-N 1 1 338.415 0.905 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001070412533 784004786 /nfs/dbraw/zinc/00/47/86/784004786.db2.gz CAHRQNJQZOAPEZ-GXTWGEPZSA-N 1 1 329.404 0.117 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn3cccnc3n2)C1 ZINC001070414007 784011116 /nfs/dbraw/zinc/01/11/16/784011116.db2.gz BSVPCCKGUXYYIV-ZDUSSCGKSA-N 1 1 349.398 0.805 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001070414623 784014545 /nfs/dbraw/zinc/01/45/45/784014545.db2.gz QVYCGEWTIYOMQV-ZBFHGGJFSA-N 1 1 347.463 0.722 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn3cccnc23)C1 ZINC001070419625 784026699 /nfs/dbraw/zinc/02/66/99/784026699.db2.gz DGRAVQAPLOQZLJ-ZDUSSCGKSA-N 1 1 349.398 0.805 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c(C)cnn2C)C1 ZINC001070421504 784031608 /nfs/dbraw/zinc/03/16/08/784031608.db2.gz NINUJAKYRSCPMU-ZDUSSCGKSA-N 1 1 326.404 0.804 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001070425744 784041601 /nfs/dbraw/zinc/04/16/01/784041601.db2.gz DNETYFHTDDPDBE-CFVMTHIKSA-N 1 1 345.447 0.903 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001070426486 784043136 /nfs/dbraw/zinc/04/31/36/784043136.db2.gz VTIWQLKDCGNITO-HZSPNIEDSA-N 1 1 345.447 0.903 20 30 ECEDMO C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070432857 784057923 /nfs/dbraw/zinc/05/79/23/784057923.db2.gz SLOXLCCZNIYUGS-CQSZACIVSA-N 1 1 327.432 0.544 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cncn1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446107 784099723 /nfs/dbraw/zinc/09/97/23/784099723.db2.gz SJGSJBHQIGLACP-CYBMUJFWSA-N 1 1 341.419 0.574 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1OCC[C@H]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070449150 784105869 /nfs/dbraw/zinc/10/58/69/784105869.db2.gz MEJZGUCHWNPMOI-YUELXQCFSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@]1(C)CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070448981 784106700 /nfs/dbraw/zinc/10/67/00/784106700.db2.gz HOWOAKBSVMCSQM-WMLDXEAASA-N 1 1 345.447 0.954 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CN(C(=O)c1cnon1)C[C@H]2c1nnc(C)[nH]1 ZINC001070450807 784110627 /nfs/dbraw/zinc/11/06/27/784110627.db2.gz RSONJCJBQBDYHX-LBPRGKRZSA-N 1 1 341.375 0.061 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(C(=O)CSCC#N)C2)C1 ZINC001070452274 784115689 /nfs/dbraw/zinc/11/56/89/784115689.db2.gz DYRGBKBVKHAYQS-ZIAGYGMSSA-N 1 1 338.477 0.692 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)OC)C1 ZINC001070921877 784120363 /nfs/dbraw/zinc/12/03/63/784120363.db2.gz RHLXQEDKIBQNFR-OWCLPIDISA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)OC)C1 ZINC001070921877 784120370 /nfs/dbraw/zinc/12/03/70/784120370.db2.gz RHLXQEDKIBQNFR-OWCLPIDISA-N 1 1 335.448 0.616 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cn(C)cn1 ZINC001070491539 784184305 /nfs/dbraw/zinc/18/43/05/784184305.db2.gz QAZSXCYFRPRIJO-WCQYABFASA-N 1 1 349.826 0.499 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070499348 784196451 /nfs/dbraw/zinc/19/64/51/784196451.db2.gz OKZXDXHVZCGANB-GOEBONIOSA-N 1 1 328.420 0.846 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001070508843 784207029 /nfs/dbraw/zinc/20/70/29/784207029.db2.gz PXHWVIYQKKFVSZ-GXFFZTMASA-N 1 1 335.799 0.489 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)c2cncc(C#N)n2)CC1 ZINC001068727556 791006569 /nfs/dbraw/zinc/00/65/69/791006569.db2.gz RSUZARGKHMUZRW-CJNGLKHVSA-N 1 1 342.447 0.973 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC001070956705 784222741 /nfs/dbraw/zinc/22/27/41/784222741.db2.gz YYDNKTSRXMWWME-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC001070956705 784222750 /nfs/dbraw/zinc/22/27/50/784222750.db2.gz YYDNKTSRXMWWME-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC001070956703 784223139 /nfs/dbraw/zinc/22/31/39/784223139.db2.gz YYDNKTSRXMWWME-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC001070956703 784223148 /nfs/dbraw/zinc/22/31/48/784223148.db2.gz YYDNKTSRXMWWME-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cncnc2)CC1 ZINC001070957775 784225279 /nfs/dbraw/zinc/22/52/79/784225279.db2.gz WDEAISLXWURMMW-UHFFFAOYSA-N 1 1 331.420 0.707 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cncnc2)CC1 ZINC001070957775 784225285 /nfs/dbraw/zinc/22/52/85/784225285.db2.gz WDEAISLXWURMMW-UHFFFAOYSA-N 1 1 331.420 0.707 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2nnc(C)o2)CC1 ZINC001070961518 784237917 /nfs/dbraw/zinc/23/79/17/784237917.db2.gz SPMPUCKFRNHECJ-UHFFFAOYSA-N 1 1 349.435 0.537 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001070969474 784265992 /nfs/dbraw/zinc/26/59/92/784265992.db2.gz STVNKSDKHYXUTL-AEFFLSMTSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001070969474 784265995 /nfs/dbraw/zinc/26/59/95/784265995.db2.gz STVNKSDKHYXUTL-AEFFLSMTSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001070970597 784269730 /nfs/dbraw/zinc/26/97/30/784269730.db2.gz NHIGACBRHLUBCQ-UHFFFAOYSA-N 1 1 336.480 0.697 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001070972674 784279416 /nfs/dbraw/zinc/27/94/16/784279416.db2.gz FVORIAPZYQWRFY-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(=O)n2C)CC1 ZINC001070984958 784323678 /nfs/dbraw/zinc/32/36/78/784323678.db2.gz CKYKESVWOGKTFX-UHFFFAOYSA-N 1 1 349.435 0.356 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001070990868 784339445 /nfs/dbraw/zinc/33/94/45/784339445.db2.gz AKERELZBJDZTFF-KRWDZBQOSA-N 1 1 341.427 0.732 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001070990868 784339450 /nfs/dbraw/zinc/33/94/50/784339450.db2.gz AKERELZBJDZTFF-KRWDZBQOSA-N 1 1 341.427 0.732 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)[C@@H]2CCCO2)CC1 ZINC001070997695 784361406 /nfs/dbraw/zinc/36/14/06/784361406.db2.gz VLHNMEBVCXGNFI-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)[C@@H]2CCCO2)CC1 ZINC001070997695 784361416 /nfs/dbraw/zinc/36/14/16/784361416.db2.gz VLHNMEBVCXGNFI-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070585731 784364622 /nfs/dbraw/zinc/36/46/22/784364622.db2.gz LJTYECSJRBCSAJ-HUUCEWRRSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070585731 784364635 /nfs/dbraw/zinc/36/46/35/784364635.db2.gz LJTYECSJRBCSAJ-HUUCEWRRSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001071008193 784393853 /nfs/dbraw/zinc/39/38/53/784393853.db2.gz MXIRBAYPNJHJHJ-DLBZAZTESA-N 1 1 346.475 0.287 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)nc2C)CC1 ZINC001071009220 784397931 /nfs/dbraw/zinc/39/79/31/784397931.db2.gz GDPKXMWIWJSTRW-UHFFFAOYSA-N 1 1 345.447 0.934 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)nc2C)CC1 ZINC001071009220 784397935 /nfs/dbraw/zinc/39/79/35/784397935.db2.gz GDPKXMWIWJSTRW-UHFFFAOYSA-N 1 1 345.447 0.934 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCCOC2)n1 ZINC001070594669 784403328 /nfs/dbraw/zinc/40/33/28/784403328.db2.gz JADPDYVLYMNEDI-PMPSAXMXSA-N 1 1 346.431 0.971 20 30 ECEDMO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)[C@H]3CCC[N@@H+]3C)n2)N(CC#N)C1 ZINC001070595471 784403950 /nfs/dbraw/zinc/40/39/50/784403950.db2.gz BMKRDVOXMSFGHW-SOUVJXGZSA-N 1 1 346.435 0.529 20 30 ECEDMO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)[C@H]3CCC[N@H+]3C)n2)N(CC#N)C1 ZINC001070595471 784403958 /nfs/dbraw/zinc/40/39/58/784403958.db2.gz BMKRDVOXMSFGHW-SOUVJXGZSA-N 1 1 346.435 0.529 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2COC(=O)N2)n1 ZINC001070602008 784419198 /nfs/dbraw/zinc/41/91/98/784419198.db2.gz GKTFXYXVUYAYBL-YNEHKIRRSA-N 1 1 349.391 0.205 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H](CC)C2)CC1 ZINC001071015805 784423823 /nfs/dbraw/zinc/42/38/23/784423823.db2.gz UQNIUDZRTAZEMC-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H](CC)C2)CC1 ZINC001071015805 784423826 /nfs/dbraw/zinc/42/38/26/784423826.db2.gz UQNIUDZRTAZEMC-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC001071020782 784441259 /nfs/dbraw/zinc/44/12/59/784441259.db2.gz VBPFUTUPPHVZDX-UHFFFAOYSA-N 1 1 345.447 0.243 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC001071020782 784441264 /nfs/dbraw/zinc/44/12/64/784441264.db2.gz VBPFUTUPPHVZDX-UHFFFAOYSA-N 1 1 345.447 0.243 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC001071021757 784443240 /nfs/dbraw/zinc/44/32/40/784443240.db2.gz FDWACMFLDMHJFB-MRXNPFEDSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC001071021757 784443243 /nfs/dbraw/zinc/44/32/43/784443243.db2.gz FDWACMFLDMHJFB-MRXNPFEDSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cscn2)CC1 ZINC001071023090 784448436 /nfs/dbraw/zinc/44/84/36/784448436.db2.gz OTVJEZVDVXSQNL-UHFFFAOYSA-N 1 1 348.472 0.750 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cscn2)CC1 ZINC001071023090 784448437 /nfs/dbraw/zinc/44/84/37/784448437.db2.gz OTVJEZVDVXSQNL-UHFFFAOYSA-N 1 1 348.472 0.750 20 30 ECEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cncn2C)no1 ZINC001070630227 784461319 /nfs/dbraw/zinc/46/13/19/784461319.db2.gz HSVAHFQKPNAQKZ-NILFDRSVSA-N 1 1 342.403 0.960 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1c1cncn1C ZINC001070642078 784482616 /nfs/dbraw/zinc/48/26/16/784482616.db2.gz MJNFKIXNCSUOKN-CHWSQXEVSA-N 1 1 325.372 0.352 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001071052708 784487309 /nfs/dbraw/zinc/48/73/09/784487309.db2.gz JIBNLSZTIUFRDA-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nccnc1N)C[C@H](C)O2 ZINC001071147395 784602670 /nfs/dbraw/zinc/60/26/70/784602670.db2.gz PXYSLTZSPMJSLL-SUMWQHHRSA-N 1 1 329.404 0.388 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001070731479 784620288 /nfs/dbraw/zinc/62/02/88/784620288.db2.gz BHAOKRLKETUBOI-HUUCEWRRSA-N 1 1 332.404 0.337 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071156607 784620553 /nfs/dbraw/zinc/62/05/53/784620553.db2.gz JYTKEBYIVHHYHH-CXAGYDPISA-N 1 1 332.404 0.574 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCOCC1)C[C@@H](C)O2 ZINC001071156553 784620903 /nfs/dbraw/zinc/62/09/03/784620903.db2.gz JMJPEJOBAGKCMK-SJLPKXTDSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnnn1CC)C[C@@H](C)O2 ZINC001071158897 784624843 /nfs/dbraw/zinc/62/48/43/784624843.db2.gz DJCYWWPCVSYBGI-PBHICJAKSA-N 1 1 331.420 0.627 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@H](C)O2 ZINC001071159712 784628098 /nfs/dbraw/zinc/62/80/98/784628098.db2.gz PXGURVFSJPFFFM-SUMWQHHRSA-N 1 1 335.404 0.860 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc(C)o1)C[C@@H](C)O2 ZINC001071165209 784638774 /nfs/dbraw/zinc/63/87/74/784638774.db2.gz ZGYQGTHLLCXRRK-CXAGYDPISA-N 1 1 332.404 0.636 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@@H](C)O2 ZINC001071166855 784642515 /nfs/dbraw/zinc/64/25/15/784642515.db2.gz PACJBAYBKRULEV-CXAGYDPISA-N 1 1 331.420 0.371 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@@H+](CCn3cncn3)C2)O1 ZINC001071167321 784643686 /nfs/dbraw/zinc/64/36/86/784643686.db2.gz WPPQFTFVVFCXLR-QAPCUYQASA-N 1 1 343.431 0.383 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1ccncn1)C[C@H](C)O2 ZINC001071170689 784651488 /nfs/dbraw/zinc/65/14/88/784651488.db2.gz BAJOVWPQPLRGJY-MAUKXSAKSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)C[C@@H](C)O2 ZINC001071171288 784652585 /nfs/dbraw/zinc/65/25/85/784652585.db2.gz KRZOLEIITOWURG-CXAGYDPISA-N 1 1 346.435 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)C[C@@H](C)O2 ZINC001071171288 784652586 /nfs/dbraw/zinc/65/25/86/784652586.db2.gz KRZOLEIITOWURG-CXAGYDPISA-N 1 1 346.435 0.367 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)C[C@H](C)O2 ZINC001071176582 784665902 /nfs/dbraw/zinc/66/59/02/784665902.db2.gz XUZNKYPVPFAGIK-KBXCAEBGSA-N 1 1 345.447 0.972 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)C[C@H](C)O2 ZINC001071176582 784665912 /nfs/dbraw/zinc/66/59/12/784665912.db2.gz XUZNKYPVPFAGIK-KBXCAEBGSA-N 1 1 345.447 0.972 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1COC)C[C@@H](C)O2 ZINC001071180581 784678817 /nfs/dbraw/zinc/67/88/17/784678817.db2.gz POHMOXMAFYDLID-KDOFPFPSSA-N 1 1 346.431 0.505 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1COC)C[C@@H](C)O2 ZINC001071180581 784678821 /nfs/dbraw/zinc/67/88/21/784678821.db2.gz POHMOXMAFYDLID-KDOFPFPSSA-N 1 1 346.431 0.505 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1COC)C[C@@H](C)O2 ZINC001071180583 784679377 /nfs/dbraw/zinc/67/93/77/784679377.db2.gz POHMOXMAFYDLID-RDTXWAMCSA-N 1 1 346.431 0.505 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1COC)C[C@@H](C)O2 ZINC001071180583 784679380 /nfs/dbraw/zinc/67/93/80/784679380.db2.gz POHMOXMAFYDLID-RDTXWAMCSA-N 1 1 346.431 0.505 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)C[C@H](C)O2 ZINC001071180380 784679533 /nfs/dbraw/zinc/67/95/33/784679533.db2.gz LQLFUOUNMLATLO-KPZWWZAWSA-N 1 1 344.415 0.325 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@H](C)O2 ZINC001071183148 784683126 /nfs/dbraw/zinc/68/31/26/784683126.db2.gz KBXQUCQXSOWKMG-KBXCAEBGSA-N 1 1 329.400 0.324 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@@H](C)O2 ZINC001071185841 784689230 /nfs/dbraw/zinc/68/92/30/784689230.db2.gz MPUYHGPQRLMSDL-QAPCUYQASA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cncc1C)C[C@@H](C)O2 ZINC001071191629 784701493 /nfs/dbraw/zinc/70/14/93/784701493.db2.gz HSQVKWVXDAIPGH-AEFFLSMTSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@H](C)O2 ZINC001071191617 784702102 /nfs/dbraw/zinc/70/21/02/784702102.db2.gz HMSFHBKGIZENPA-KBXCAEBGSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccc(=O)[nH]c1)C[C@H](C)O2 ZINC001071192027 784703636 /nfs/dbraw/zinc/70/36/36/784703636.db2.gz LHSGBAHJEUTMNJ-KSSFIOAISA-N 1 1 329.400 0.655 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@@H](C)O2 ZINC001071194463 784709144 /nfs/dbraw/zinc/70/91/44/784709144.db2.gz JNPYVQZSLHEIGH-QAPCUYQASA-N 1 1 345.447 0.556 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@H](C)O2 ZINC001071195408 784712705 /nfs/dbraw/zinc/71/27/05/784712705.db2.gz XNQWOBRMWGOVQG-YOEHRIQHSA-N 1 1 333.436 0.718 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CCO)C3)C2)cc1 ZINC001071197602 784715772 /nfs/dbraw/zinc/71/57/72/784715772.db2.gz VTSGBWVBWBEQDE-BEFAXECRSA-N 1 1 328.412 0.966 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)n1C)C[C@@H](C)O2 ZINC001071198913 784718607 /nfs/dbraw/zinc/71/86/07/784718607.db2.gz HAGWQQXCFIOHCE-CXAGYDPISA-N 1 1 332.404 0.454 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@H](C)O2 ZINC001071201418 784723208 /nfs/dbraw/zinc/72/32/08/784723208.db2.gz DSJPGOLIGWYCLB-SUMWQHHRSA-N 1 1 330.388 0.099 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@@H](C)O2 ZINC001071201572 784723708 /nfs/dbraw/zinc/72/37/08/784723708.db2.gz GZQBDDLOMHAXDJ-DYVFJYSZSA-N 1 1 332.404 0.651 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccoc1CC(N)=O)C[C@H](C)O2 ZINC001071203513 784726949 /nfs/dbraw/zinc/72/69/49/784726949.db2.gz CJNPVZKKBJVSIG-UGSOOPFHSA-N 1 1 347.415 0.799 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn(C)nc1C)C[C@H](C)O2 ZINC001071215900 784756100 /nfs/dbraw/zinc/75/61/00/784756100.db2.gz IVMNYDYKNBTEOU-HNAYVOBHSA-N 1 1 344.459 0.986 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C[C@@H](C)O2 ZINC001071219569 784765396 /nfs/dbraw/zinc/76/53/96/784765396.db2.gz WHPKSSFKHXFCQR-FZKQIMNGSA-N 1 1 349.431 0.307 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nnnc1C(C)C)C[C@@H](C)O2 ZINC001071219761 784766744 /nfs/dbraw/zinc/76/67/44/784766744.db2.gz XWBFVXSZHQYCKQ-RHSMWYFYSA-N 1 1 348.451 0.674 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1ncccn1)C[C@@H](C)O2 ZINC001071220138 784767586 /nfs/dbraw/zinc/76/75/86/784767586.db2.gz DKEGNQDRSGZOPO-QAPCUYQASA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CCC)nn1)C[C@H](C)O2 ZINC001071225205 784781661 /nfs/dbraw/zinc/78/16/61/784781661.db2.gz HFLHKRJLDUSHRB-WMLDXEAASA-N 1 1 331.420 0.627 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CCC)nn1)C[C@H](C)O2 ZINC001071225205 784781669 /nfs/dbraw/zinc/78/16/69/784781669.db2.gz HFLHKRJLDUSHRB-WMLDXEAASA-N 1 1 331.420 0.627 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC)nn1)C[C@@H](C)O2 ZINC001071226032 784782945 /nfs/dbraw/zinc/78/29/45/784782945.db2.gz UHUUKLHWVVMJSX-RHSMWYFYSA-N 1 1 331.420 0.627 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@H](C)O2 ZINC001071238270 784806675 /nfs/dbraw/zinc/80/66/75/784806675.db2.gz KXBLSNBDPSGJDR-KSSFIOAISA-N 1 1 346.431 0.662 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1C(=O)CCC1=O)C[C@H](C)O2 ZINC001071238622 784809223 /nfs/dbraw/zinc/80/92/23/784809223.db2.gz OTNVLXDBVUPNMA-KSSFIOAISA-N 1 1 349.431 0.403 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCCCC1=O)C[C@@H](C)O2 ZINC001071238535 784809521 /nfs/dbraw/zinc/80/95/21/784809521.db2.gz NVMMMWLWQNUZIC-VQIMIIECSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@@H](C)O2 ZINC001071244532 784822791 /nfs/dbraw/zinc/82/27/91/784822791.db2.gz WOZOICVJYZSUDN-QAPCUYQASA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCN1CCN([C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277554 784924663 /nfs/dbraw/zinc/92/46/63/784924663.db2.gz YEROPADLYZYIBS-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071430930 785077399 /nfs/dbraw/zinc/07/73/99/785077399.db2.gz HUMLRPQLPDISII-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CC(=O)NC1CC1 ZINC001071430930 785077405 /nfs/dbraw/zinc/07/74/05/785077405.db2.gz HUMLRPQLPDISII-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001071810917 785139183 /nfs/dbraw/zinc/13/91/83/785139183.db2.gz FILDAXJXTJXNOI-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC[C@H]1C ZINC001071836047 785191839 /nfs/dbraw/zinc/19/18/39/785191839.db2.gz SFDLJCXALDUNBG-ZIAGYGMSSA-N 1 1 330.432 0.957 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC[C@H]1C ZINC001071509190 785216809 /nfs/dbraw/zinc/21/68/09/785216809.db2.gz ZIZRRJGLQQXCRW-ZIAGYGMSSA-N 1 1 333.432 0.764 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@@H]1C ZINC001071890581 785278242 /nfs/dbraw/zinc/27/82/42/785278242.db2.gz OHBYCMRVFNIBNW-UONOGXRCSA-N 1 1 334.424 0.334 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1C ZINC001071549407 785286006 /nfs/dbraw/zinc/28/60/06/785286006.db2.gz QJUJRPRDKJCEIT-KBPBESRZSA-N 1 1 334.420 0.092 20 30 ECEDMO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071922891 785341972 /nfs/dbraw/zinc/34/19/72/785341972.db2.gz ZCRGOJJRZONZNH-BLLLJJGKSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC[C@H]1C ZINC001071631616 785420312 /nfs/dbraw/zinc/42/03/12/785420312.db2.gz PEMBSBNZRLLHEK-KGLIPLIRSA-N 1 1 342.403 0.926 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@H]1C ZINC001071966935 785434404 /nfs/dbraw/zinc/43/44/04/785434404.db2.gz IUFLVLALEYMRGU-CABCVRRESA-N 1 1 345.447 0.374 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C ZINC001071987772 785481950 /nfs/dbraw/zinc/48/19/50/785481950.db2.gz FSKTYQIESHHXNE-KGLIPLIRSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@@H]1C ZINC001071670344 785490949 /nfs/dbraw/zinc/49/09/49/785490949.db2.gz JKBRCGFADXYCHD-GJZGRUSLSA-N 1 1 346.431 0.496 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C ZINC001071685340 785520236 /nfs/dbraw/zinc/52/02/36/785520236.db2.gz ACHFQJJBMVACOB-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C2)nn1 ZINC001072126701 785709451 /nfs/dbraw/zinc/70/94/51/785709451.db2.gz VTLGDJLIGBIEEU-UONOGXRCSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001072354956 786068144 /nfs/dbraw/zinc/06/81/44/786068144.db2.gz PPWJOFVVYUGCGC-ZIAGYGMSSA-N 1 1 325.453 0.882 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072355697 786071066 /nfs/dbraw/zinc/07/10/66/786071066.db2.gz ZEVJQBHTCUKSIS-CHWSQXEVSA-N 1 1 340.493 0.937 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001072389831 786122005 /nfs/dbraw/zinc/12/20/05/786122005.db2.gz ILWKTPOKFIRUHK-HZPDHXFCSA-N 1 1 335.448 0.331 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001072394038 786127326 /nfs/dbraw/zinc/12/73/26/786127326.db2.gz VVZUWCQDSFYCAP-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cnccn4)C3)C2)C1=O ZINC001072414108 786151307 /nfs/dbraw/zinc/15/13/07/786151307.db2.gz QFTQPXZHUQATNP-OAHLLOKOSA-N 1 1 341.415 0.411 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001072499070 786287248 /nfs/dbraw/zinc/28/72/48/786287248.db2.gz RUOYKTUHHPEMEZ-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO COc1ncc(C[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)c(C)n1 ZINC001072553021 786357214 /nfs/dbraw/zinc/35/72/14/786357214.db2.gz VHSRCEKVBVWHBQ-LBPRGKRZSA-N 1 1 329.404 0.988 20 30 ECEDMO COc1ncc(C[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)c(C)n1 ZINC001072553021 786357222 /nfs/dbraw/zinc/35/72/22/786357222.db2.gz VHSRCEKVBVWHBQ-LBPRGKRZSA-N 1 1 329.404 0.988 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@H]21 ZINC001074260147 786536072 /nfs/dbraw/zinc/53/60/72/786536072.db2.gz UJLMTQUYJSTETP-CABCVRRESA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@H]21 ZINC001074260147 786536073 /nfs/dbraw/zinc/53/60/73/786536073.db2.gz UJLMTQUYJSTETP-CABCVRRESA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001073551465 786563445 /nfs/dbraw/zinc/56/34/45/786563445.db2.gz OJJBYSHAGQYSNF-INIZCTEOSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001074288666 786601321 /nfs/dbraw/zinc/60/13/21/786601321.db2.gz GYSQKZPFQUOCPK-JKSUJKDBSA-N 1 1 346.431 0.615 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001074288666 786601329 /nfs/dbraw/zinc/60/13/29/786601329.db2.gz GYSQKZPFQUOCPK-JKSUJKDBSA-N 1 1 346.431 0.615 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(CCOC)nc2C)C1 ZINC001073600901 786744981 /nfs/dbraw/zinc/74/49/81/786744981.db2.gz AJYRYVVBVBHICH-MRXNPFEDSA-N 1 1 348.447 0.682 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(CCOC)c2C)C1 ZINC001073601233 786747090 /nfs/dbraw/zinc/74/70/90/786747090.db2.gz JKCVMHAYVJWWRY-OAHLLOKOSA-N 1 1 334.420 0.292 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CCOC)c2C)C1 ZINC001073601233 786747098 /nfs/dbraw/zinc/74/70/98/786747098.db2.gz JKCVMHAYVJWWRY-OAHLLOKOSA-N 1 1 334.420 0.292 20 30 ECEDMO C#CCCN1CCO[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001074361200 786754831 /nfs/dbraw/zinc/75/48/31/786754831.db2.gz YEECETUEYHLTES-SJORKVTESA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001073603963 786755488 /nfs/dbraw/zinc/75/54/88/786755488.db2.gz SPHIFPKGLYFGGF-AWEZNQCLSA-N 1 1 333.436 0.939 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073629988 786812571 /nfs/dbraw/zinc/81/25/71/786812571.db2.gz KHADOFKWROFULL-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001073633849 786825221 /nfs/dbraw/zinc/82/52/21/786825221.db2.gz IEKDEAFGXPNOGC-CYBMUJFWSA-N 1 1 343.383 0.585 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001073633849 786825228 /nfs/dbraw/zinc/82/52/28/786825228.db2.gz IEKDEAFGXPNOGC-CYBMUJFWSA-N 1 1 343.383 0.585 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001073636960 786835331 /nfs/dbraw/zinc/83/53/31/786835331.db2.gz MAONUZXTSQFKLH-RHSMWYFYSA-N 1 1 341.411 0.354 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001073636960 786835340 /nfs/dbraw/zinc/83/53/40/786835340.db2.gz MAONUZXTSQFKLH-RHSMWYFYSA-N 1 1 341.411 0.354 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001073639112 786842247 /nfs/dbraw/zinc/84/22/47/786842247.db2.gz BHXQKOYYGZVPQV-ZDUSSCGKSA-N 1 1 330.392 0.750 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cncc3ncn(C)c32)C1 ZINC001073642910 786854383 /nfs/dbraw/zinc/85/43/83/786854383.db2.gz XVYRBXKDAFSUKA-ZDUSSCGKSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc3ncn(C)c32)C1 ZINC001073642910 786854393 /nfs/dbraw/zinc/85/43/93/786854393.db2.gz XVYRBXKDAFSUKA-ZDUSSCGKSA-N 1 1 327.388 0.422 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 ZINC001074402893 786867219 /nfs/dbraw/zinc/86/72/19/786867219.db2.gz NHFOZNLULRGWRA-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 ZINC001074402893 786867228 /nfs/dbraw/zinc/86/72/28/786867228.db2.gz NHFOZNLULRGWRA-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074404406 786873043 /nfs/dbraw/zinc/87/30/43/786873043.db2.gz BLWPICOLJISSPZ-GJZGRUSLSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074404406 786873050 /nfs/dbraw/zinc/87/30/50/786873050.db2.gz BLWPICOLJISSPZ-GJZGRUSLSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001073651714 786873630 /nfs/dbraw/zinc/87/36/30/786873630.db2.gz DFKFLUSOLFXXDY-ZDUSSCGKSA-N 1 1 330.392 0.439 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001073652107 786875711 /nfs/dbraw/zinc/87/57/11/786875711.db2.gz PMHMLWPPYMDWAE-AWEZNQCLSA-N 1 1 344.419 0.830 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001073654294 786881295 /nfs/dbraw/zinc/88/12/95/786881295.db2.gz DIYIPOLJUHPXBN-LSDHHAIUSA-N 1 1 348.447 0.851 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001073662988 786907092 /nfs/dbraw/zinc/90/70/92/786907092.db2.gz SRMLUVSDZNJCLD-AWEZNQCLSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001073662988 786907100 /nfs/dbraw/zinc/90/71/00/786907100.db2.gz SRMLUVSDZNJCLD-AWEZNQCLSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001073662401 786908531 /nfs/dbraw/zinc/90/85/31/786908531.db2.gz KXKKNTYMTNMARL-ZDUSSCGKSA-N 1 1 348.403 0.338 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 ZINC001074415892 786913883 /nfs/dbraw/zinc/91/38/83/786913883.db2.gz YIPLKLCAEIDMSZ-GDBMZVCRSA-N 1 1 348.447 0.605 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 ZINC001074415892 786913891 /nfs/dbraw/zinc/91/38/91/786913891.db2.gz YIPLKLCAEIDMSZ-GDBMZVCRSA-N 1 1 348.447 0.605 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001073665308 786914157 /nfs/dbraw/zinc/91/41/57/786914157.db2.gz WSOMWSQKAJCADL-HOTGVXAUSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2COC)C1 ZINC001073668033 786921505 /nfs/dbraw/zinc/92/15/05/786921505.db2.gz UWEPHINHHAMHKZ-CQSZACIVSA-N 1 1 334.420 0.411 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001073671163 786928479 /nfs/dbraw/zinc/92/84/79/786928479.db2.gz XBROKNPLMNCQNN-CYBMUJFWSA-N 1 1 343.387 0.508 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001073686942 786969611 /nfs/dbraw/zinc/96/96/11/786969611.db2.gz FJXYFCYMNUUSFT-GJZGRUSLSA-N 1 1 338.452 0.560 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c(OC)ccnc2OC)C1 ZINC001073691060 786976886 /nfs/dbraw/zinc/97/68/86/786976886.db2.gz PBHAKHJMTSIMFC-CYBMUJFWSA-N 1 1 333.388 0.553 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(OC)ccnc2OC)C1 ZINC001073691060 786976890 /nfs/dbraw/zinc/97/68/90/786976890.db2.gz PBHAKHJMTSIMFC-CYBMUJFWSA-N 1 1 333.388 0.553 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001073696854 786990943 /nfs/dbraw/zinc/99/09/43/786990943.db2.gz QXOOSEUTIZXXAV-CYBMUJFWSA-N 1 1 330.392 0.370 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001073712608 787027912 /nfs/dbraw/zinc/02/79/12/787027912.db2.gz GZAKBXRGONGXCL-ZIAGYGMSSA-N 1 1 347.406 0.345 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001073712970 787029163 /nfs/dbraw/zinc/02/91/63/787029163.db2.gz QKOAOSHRBTWWOH-ZDUSSCGKSA-N 1 1 345.403 0.338 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CSCC#N)[C@H](C)C1 ZINC001073744737 787107108 /nfs/dbraw/zinc/10/71/08/787107108.db2.gz PUGXGIMLBJWXBL-KGLIPLIRSA-N 1 1 340.493 0.937 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001073746002 787111305 /nfs/dbraw/zinc/11/13/05/787111305.db2.gz MLYDHZRJMWKUGQ-CABCVRRESA-N 1 1 345.447 0.150 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001073749029 787123712 /nfs/dbraw/zinc/12/37/12/787123712.db2.gz OBDRQUGJJCWXHC-LBPRGKRZSA-N 1 1 330.392 0.370 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@H+]([C@H](C)C(=O)NC)CCCO2)c1 ZINC001073763221 787152487 /nfs/dbraw/zinc/15/24/87/787152487.db2.gz YNKKSCNMFLAONH-CJNGLKHVSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+]([C@H](C)C(=O)NC)CCCO2)c1 ZINC001073763221 787152488 /nfs/dbraw/zinc/15/24/88/787152488.db2.gz YNKKSCNMFLAONH-CJNGLKHVSA-N 1 1 344.415 0.018 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001073763256 787153150 /nfs/dbraw/zinc/15/31/50/787153150.db2.gz ZMOAHGYRGYEAIF-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001073763256 787153155 /nfs/dbraw/zinc/15/31/55/787153155.db2.gz ZMOAHGYRGYEAIF-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO N#CCN1CCCO[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001073766696 787162154 /nfs/dbraw/zinc/16/21/54/787162154.db2.gz MEJGRKNLGHZKTE-HNNXBMFYSA-N 1 1 347.419 0.615 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nn(C)c3c2CCCC3)C1 ZINC001073786086 787197321 /nfs/dbraw/zinc/19/73/21/787197321.db2.gz UGVDLAZIXSQHBZ-CQSZACIVSA-N 1 1 330.432 0.753 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2nn(C)c3c2CCCC3)C1 ZINC001073786086 787197322 /nfs/dbraw/zinc/19/73/22/787197322.db2.gz UGVDLAZIXSQHBZ-CQSZACIVSA-N 1 1 330.432 0.753 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)O)CCCO2)cc1 ZINC001073801493 787228620 /nfs/dbraw/zinc/22/86/20/787228620.db2.gz MOVDKQTXEWCHCE-CRAIPNDOSA-N 1 1 346.427 0.900 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)cc1 ZINC001073801741 787230630 /nfs/dbraw/zinc/23/06/30/787230630.db2.gz TWNIPNOZDSZPHX-GOSISDBHSA-N 1 1 346.427 0.902 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001073821646 787267076 /nfs/dbraw/zinc/26/70/76/787267076.db2.gz OJQPBKZJFCNSDW-MRXNPFEDSA-N 1 1 347.415 0.760 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001073821507 787267938 /nfs/dbraw/zinc/26/79/38/787267938.db2.gz LJRXXWIUDLFBFZ-AWEZNQCLSA-N 1 1 332.404 0.107 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001074565300 787270498 /nfs/dbraw/zinc/27/04/98/787270498.db2.gz BNGRAUNTBJKIDM-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001073847607 787345596 /nfs/dbraw/zinc/34/55/96/787345596.db2.gz FMGSNYIFIVIPLA-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001073856999 787374084 /nfs/dbraw/zinc/37/40/84/787374084.db2.gz WOEFYNVFQXSWSC-ZDUSSCGKSA-N 1 1 345.403 0.832 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001073859263 787379184 /nfs/dbraw/zinc/37/91/84/787379184.db2.gz FMVLANYOEWVHLW-KGLIPLIRSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001073859263 787379195 /nfs/dbraw/zinc/37/91/95/787379195.db2.gz FMVLANYOEWVHLW-KGLIPLIRSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001073859263 787379202 /nfs/dbraw/zinc/37/92/02/787379202.db2.gz FMVLANYOEWVHLW-KGLIPLIRSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001073859263 787379212 /nfs/dbraw/zinc/37/92/12/787379212.db2.gz FMVLANYOEWVHLW-KGLIPLIRSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001073859263 787379224 /nfs/dbraw/zinc/37/92/24/787379224.db2.gz FMVLANYOEWVHLW-KGLIPLIRSA-N 1 1 331.420 0.140 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001073859956 787383222 /nfs/dbraw/zinc/38/32/22/787383222.db2.gz XTFMZIWJMHVFSP-UONOGXRCSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001073859956 787383227 /nfs/dbraw/zinc/38/32/27/787383227.db2.gz XTFMZIWJMHVFSP-UONOGXRCSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001073859956 787383236 /nfs/dbraw/zinc/38/32/36/787383236.db2.gz XTFMZIWJMHVFSP-UONOGXRCSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001073859956 787383246 /nfs/dbraw/zinc/38/32/46/787383246.db2.gz XTFMZIWJMHVFSP-UONOGXRCSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001073859956 787383255 /nfs/dbraw/zinc/38/32/55/787383255.db2.gz XTFMZIWJMHVFSP-UONOGXRCSA-N 1 1 333.436 0.693 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@H](CC)C(N)=O)CCCO2)cn1 ZINC001073865353 787399635 /nfs/dbraw/zinc/39/96/35/787399635.db2.gz GJYIAOUOWKRATC-JKSUJKDBSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@H](CC)C(N)=O)CCCO2)cn1 ZINC001073865353 787399645 /nfs/dbraw/zinc/39/96/45/787399645.db2.gz GJYIAOUOWKRATC-JKSUJKDBSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)cn1 ZINC001073866136 787400615 /nfs/dbraw/zinc/40/06/15/787400615.db2.gz STEHZXQPGKPGDD-CRAIPNDOSA-N 1 1 343.427 0.920 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001073885850 787434068 /nfs/dbraw/zinc/43/40/68/787434068.db2.gz AGQLSDTYNDLSLE-HNNXBMFYSA-N 1 1 338.452 0.560 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001073890855 787451142 /nfs/dbraw/zinc/45/11/42/787451142.db2.gz IWYPFEBXMKCAHG-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001073893620 787458640 /nfs/dbraw/zinc/45/86/40/787458640.db2.gz XNRODPKKVNAMHY-INIZCTEOSA-N 1 1 346.431 0.967 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001073899514 787475241 /nfs/dbraw/zinc/47/52/41/787475241.db2.gz VWWOSKVYEVTLOP-HZPDHXFCSA-N 1 1 345.447 0.379 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001073905046 787488335 /nfs/dbraw/zinc/48/83/35/787488335.db2.gz SYVAKVXOPHEYMX-AWEZNQCLSA-N 1 1 336.436 0.511 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074656387 787519920 /nfs/dbraw/zinc/51/99/20/787519920.db2.gz JPNOXLNOPCZFRM-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001073971846 787610835 /nfs/dbraw/zinc/61/08/35/787610835.db2.gz OWLXPTJNXGHTRX-UKRRQHHQSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074698945 787631906 /nfs/dbraw/zinc/63/19/06/787631906.db2.gz MTSINBZBEOUXFM-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001074063136 787795482 /nfs/dbraw/zinc/79/54/82/787795482.db2.gz MLGQTKCSHMTWAD-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001072737672 788675144 /nfs/dbraw/zinc/67/51/44/788675144.db2.gz WLFNBRCLVUFFOF-SWLSCSKDSA-N 1 1 331.420 0.805 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001072748171 788707249 /nfs/dbraw/zinc/70/72/49/788707249.db2.gz VSRCELCXVKRUDY-CVEARBPZSA-N 1 1 345.447 0.794 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001072797348 788817511 /nfs/dbraw/zinc/81/75/11/788817511.db2.gz UWOAJZPCDYLZJV-OAHLLOKOSA-N 1 1 335.448 0.592 20 30 ECEDMO CC#CC[N@@H+]1CCC2(CN(C(=O)c3nc(OC)cc(OC)n3)C2)C1 ZINC001072856983 788974369 /nfs/dbraw/zinc/97/43/69/788974369.db2.gz DEHLGUGIPAAFJE-UHFFFAOYSA-N 1 1 330.388 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cnc4ccc(OC)nn43)C2)C1 ZINC001072867329 788993218 /nfs/dbraw/zinc/99/32/18/788993218.db2.gz AFHIVDXRHWIDHO-UHFFFAOYSA-N 1 1 325.372 0.519 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001072944758 789147845 /nfs/dbraw/zinc/14/78/45/789147845.db2.gz KOIKOQDZMMSUNZ-GUYCJALGSA-N 1 1 333.432 0.928 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(C)(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001073009152 789268757 /nfs/dbraw/zinc/26/87/57/789268757.db2.gz KEXIUSVZXNHNIW-UHFFFAOYSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001073027420 789300096 /nfs/dbraw/zinc/30/00/96/789300096.db2.gz IYEVIDWCMUZXJI-OAHLLOKOSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001073029030 789304751 /nfs/dbraw/zinc/30/47/51/789304751.db2.gz JTQNANVZYJLAEV-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001075395363 789321549 /nfs/dbraw/zinc/32/15/49/789321549.db2.gz OYGAGYCGXSLBFX-WBVHZDCISA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001075395363 789321562 /nfs/dbraw/zinc/32/15/62/789321562.db2.gz OYGAGYCGXSLBFX-WBVHZDCISA-N 1 1 345.447 0.746 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(=O)NC)C2 ZINC001073052198 789349949 /nfs/dbraw/zinc/34/99/49/789349949.db2.gz IFEUHKBMPRMJTN-ILXRZTDVSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC001073062533 789371601 /nfs/dbraw/zinc/37/16/01/789371601.db2.gz FLPHGYRVKNHOFX-UHFFFAOYSA-N 1 1 332.404 0.037 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)c3nnn(C)n3)CC2)CC1 ZINC001075456995 789379119 /nfs/dbraw/zinc/37/91/19/789379119.db2.gz GVFSWMDDWWGUTA-CQSZACIVSA-N 1 1 330.436 0.798 20 30 ECEDMO CC(C)C#CC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001073125127 789481966 /nfs/dbraw/zinc/48/19/66/789481966.db2.gz MTHTYNRDQZILHV-HZPDHXFCSA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)C#CC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001073125127 789481971 /nfs/dbraw/zinc/48/19/71/789481971.db2.gz MTHTYNRDQZILHV-HZPDHXFCSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073135288 789506262 /nfs/dbraw/zinc/50/62/62/789506262.db2.gz CNQHBCPNXMIMPD-UHFFFAOYSA-N 1 1 329.400 0.624 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2N(c2ccc(C#N)nn2)CC3)C1 ZINC001069266273 789718001 /nfs/dbraw/zinc/71/80/01/789718001.db2.gz JTFFPHSYVOJXAK-JCKWVBRZSA-N 1 1 340.431 0.918 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001073396623 789789336 /nfs/dbraw/zinc/78/93/36/789789336.db2.gz RQYOTEQATMEROD-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)Cn3c(=O)oc4ccccc43)C2)C1 ZINC001073417951 789811116 /nfs/dbraw/zinc/81/11/16/789811116.db2.gz FSNIZTOPKVIZIM-UHFFFAOYSA-N 1 1 325.368 0.762 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3ccnc(C#N)n3)C(C)(C)C2)C1 ZINC001069616390 789934303 /nfs/dbraw/zinc/93/43/03/789934303.db2.gz OXSJNGAAOXNLLF-UONOGXRCSA-N 1 1 342.447 0.761 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2nccnc2C#N)CC1 ZINC001069814801 790048582 /nfs/dbraw/zinc/04/85/82/790048582.db2.gz GLNWGYIXUMMDNI-HNNXBMFYSA-N 1 1 326.404 0.695 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001069820435 790054629 /nfs/dbraw/zinc/05/46/29/790054629.db2.gz PUCRYXOFMPMNGG-CQSZACIVSA-N 1 1 326.404 0.553 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NCc2cnn3c2CN(CC#N)CC3)no1 ZINC001069865390 790121542 /nfs/dbraw/zinc/12/15/42/790121542.db2.gz FOBJVSDGXPASIZ-UHFFFAOYSA-N 1 1 343.391 0.202 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)c2C1 ZINC001069877293 790139546 /nfs/dbraw/zinc/13/95/46/790139546.db2.gz ODYRBGAOANNOSJ-HZPDHXFCSA-N 1 1 342.447 0.855 20 30 ECEDMO C=CCN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)c2C1 ZINC001069882945 790148473 /nfs/dbraw/zinc/14/84/73/790148473.db2.gz JYRJYNNODQWRNR-MRXNPFEDSA-N 1 1 333.436 0.222 20 30 ECEDMO C=CCN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)c2C1 ZINC001069882945 790148475 /nfs/dbraw/zinc/14/84/75/790148475.db2.gz JYRJYNNODQWRNR-MRXNPFEDSA-N 1 1 333.436 0.222 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069893301 790161511 /nfs/dbraw/zinc/16/15/11/790161511.db2.gz QQIJHBXQIXIXBG-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069903183 790172649 /nfs/dbraw/zinc/17/26/49/790172649.db2.gz JOIYATUOSIPWPZ-KGLIPLIRSA-N 1 1 329.408 0.849 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069903183 790172650 /nfs/dbraw/zinc/17/26/50/790172650.db2.gz JOIYATUOSIPWPZ-KGLIPLIRSA-N 1 1 329.408 0.849 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2n2ccnn2)c1 ZINC001069907611 790176483 /nfs/dbraw/zinc/17/64/83/790176483.db2.gz FLKWSQWIVNIGFA-CVEARBPZSA-N 1 1 339.403 0.933 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069908767 790177909 /nfs/dbraw/zinc/17/79/09/790177909.db2.gz OXOPEIGPZCIJFE-CVEARBPZSA-N 1 1 343.435 0.860 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069908767 790177913 /nfs/dbraw/zinc/17/79/13/790177913.db2.gz OXOPEIGPZCIJFE-CVEARBPZSA-N 1 1 343.435 0.860 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069908767 790177916 /nfs/dbraw/zinc/17/79/16/790177916.db2.gz OXOPEIGPZCIJFE-CVEARBPZSA-N 1 1 343.435 0.860 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001069917344 790187198 /nfs/dbraw/zinc/18/71/98/790187198.db2.gz NKKZDLMVIDEINI-KGLIPLIRSA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069932168 790205224 /nfs/dbraw/zinc/20/52/24/790205224.db2.gz ULZIHINWOBORBE-CVEARBPZSA-N 1 1 343.435 0.655 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069932168 790205227 /nfs/dbraw/zinc/20/52/27/790205227.db2.gz ULZIHINWOBORBE-CVEARBPZSA-N 1 1 343.435 0.655 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)[C@@H](n2ccnn2)C1 ZINC001069936745 790210564 /nfs/dbraw/zinc/21/05/64/790210564.db2.gz QKULIGQDMJDPMV-OLZOCXBDSA-N 1 1 347.810 0.344 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)[C@@H](n2ccnn2)C1 ZINC001069936745 790210569 /nfs/dbraw/zinc/21/05/69/790210569.db2.gz QKULIGQDMJDPMV-OLZOCXBDSA-N 1 1 347.810 0.344 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccnc3[nH]cnc32)[C@@H](n2ccnn2)C1 ZINC001069937611 790211696 /nfs/dbraw/zinc/21/16/96/790211696.db2.gz DFSFZBRBMREVNS-OLZOCXBDSA-N 1 1 338.375 0.391 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccnc3[nH]cnc32)[C@@H](n2ccnn2)C1 ZINC001069937611 790211698 /nfs/dbraw/zinc/21/16/98/790211698.db2.gz DFSFZBRBMREVNS-OLZOCXBDSA-N 1 1 338.375 0.391 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942287 790218585 /nfs/dbraw/zinc/21/85/85/790218585.db2.gz VKFQLTJBCWGCMI-OAGGEKHMSA-N 1 1 332.452 0.680 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001069945579 790223796 /nfs/dbraw/zinc/22/37/96/790223796.db2.gz QARYUTGBVQRCKV-CABCVRRESA-N 1 1 330.392 0.735 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945736 790224865 /nfs/dbraw/zinc/22/48/65/790224865.db2.gz UNWCKIMPWOJNQC-ILXRZTDVSA-N 1 1 341.419 0.580 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cncc3C2)[C@@H](n2ccnn2)C1 ZINC001069962253 790246414 /nfs/dbraw/zinc/24/64/14/790246414.db2.gz MUHHVZREDVCIFG-IMJJTQAJSA-N 1 1 341.419 0.265 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cncc3C2)[C@@H](n2ccnn2)C1 ZINC001069962253 790246416 /nfs/dbraw/zinc/24/64/16/790246416.db2.gz MUHHVZREDVCIFG-IMJJTQAJSA-N 1 1 341.419 0.265 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969246 790257680 /nfs/dbraw/zinc/25/76/80/790257680.db2.gz JUAHOYBSQBJSCL-CVEARBPZSA-N 1 1 344.463 0.824 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001068837931 791233042 /nfs/dbraw/zinc/23/30/42/791233042.db2.gz CDQJRUXOYYLPPQ-OAHLLOKOSA-N 1 1 344.415 0.481 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068839739 791236669 /nfs/dbraw/zinc/23/66/69/791236669.db2.gz SJIJRVSYDYCELC-GJZGRUSLSA-N 1 1 333.432 0.228 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001068854291 791269681 /nfs/dbraw/zinc/26/96/81/791269681.db2.gz AJGMOQQZTNYMNU-LSDHHAIUSA-N 1 1 333.432 0.226 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)C[C@H](NC(=O)C#CC(C)C)CO2 ZINC001068858765 791278814 /nfs/dbraw/zinc/27/88/14/791278814.db2.gz IZPBZZIBPYLLRF-HNNXBMFYSA-N 1 1 349.475 0.862 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)[C@H]1C ZINC001068861952 791290938 /nfs/dbraw/zinc/29/09/38/791290938.db2.gz POZAXTQLQJQQFQ-RISCZKNCSA-N 1 1 325.376 0.955 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001068863294 791295156 /nfs/dbraw/zinc/29/51/56/791295156.db2.gz TXYJEYQPIZCIFZ-GJZGRUSLSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@@H]1[C@@H](Nc2ccncc2C#N)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068870997 791312877 /nfs/dbraw/zinc/31/28/77/791312877.db2.gz JRTRRKXFEQJREY-ZBFHGGJFSA-N 1 1 343.431 0.499 20 30 ECEDMO C[C@@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068871335 791313981 /nfs/dbraw/zinc/31/39/81/791313981.db2.gz QTXOFKLHOGBVLD-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068899273 791368137 /nfs/dbraw/zinc/36/81/37/791368137.db2.gz LDCJWVBLSNDUGL-OAHLLOKOSA-N 1 1 333.432 0.226 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068911388 791400978 /nfs/dbraw/zinc/40/09/78/791400978.db2.gz AITCRBAHXPABKD-OAHLLOKOSA-N 1 1 347.459 0.616 20 30 ECEDMO CC#CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001068970899 791526408 /nfs/dbraw/zinc/52/64/08/791526408.db2.gz VWIMXOKIWOPLFE-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](CNc2nccnc2C#N)C1 ZINC001066675257 791965536 /nfs/dbraw/zinc/96/55/36/791965536.db2.gz FWFMVKKQLRFWJC-ZIAGYGMSSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001066675252 791965921 /nfs/dbraw/zinc/96/59/21/791965921.db2.gz FSPREBGJBWZGHZ-HOCLYGCPSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066749899 792095868 /nfs/dbraw/zinc/09/58/68/792095868.db2.gz COVJMVFQJVDUDD-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1CN(C)c1cncc(C#N)n1 ZINC001067762783 792246692 /nfs/dbraw/zinc/24/66/92/792246692.db2.gz ICWIEBYLXWOYAV-HNNXBMFYSA-N 1 1 339.403 0.981 20 30 ECEDMO Cc1nc(NCC2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001067838710 792351949 /nfs/dbraw/zinc/35/19/49/792351949.db2.gz VRNRUQZTWXLURD-BCLQGDPASA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1nc(NCC2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001067838710 792351962 /nfs/dbraw/zinc/35/19/62/792351962.db2.gz VRNRUQZTWXLURD-BCLQGDPASA-N 1 1 343.431 0.899 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CC(CNc3nccnc3C#N)C2)C1 ZINC001067856975 792381875 /nfs/dbraw/zinc/38/18/75/792381875.db2.gz VIOASEHZSLAGKW-HSBZDZAISA-N 1 1 328.420 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cn[nH]c1 ZINC001066924068 792397224 /nfs/dbraw/zinc/39/72/24/792397224.db2.gz DFGFAMTWHCERDY-HNNXBMFYSA-N 1 1 331.420 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cn[nH]c1 ZINC001066924068 792397236 /nfs/dbraw/zinc/39/72/36/792397236.db2.gz DFGFAMTWHCERDY-HNNXBMFYSA-N 1 1 331.420 0.428 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001067910738 792455175 /nfs/dbraw/zinc/45/51/75/792455175.db2.gz WIWZFZQORXVKFA-NFOMZHRRSA-N 1 1 342.447 0.903 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)CC2(C)C)C1 ZINC001068113859 792694353 /nfs/dbraw/zinc/69/43/53/792694353.db2.gz TXGWSLLJGQPKIT-GXTWGEPZSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1ccncc1C#N ZINC001067117144 792715280 /nfs/dbraw/zinc/71/52/80/792715280.db2.gz FIKQJWZFSKRPTK-YOEHRIQHSA-N 1 1 343.431 0.356 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC1(C)C ZINC001068126941 792717306 /nfs/dbraw/zinc/71/73/06/792717306.db2.gz QONCAKXNBXJUCC-CQSZACIVSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001068157254 792756319 /nfs/dbraw/zinc/75/63/19/792756319.db2.gz BLHHBQUAIIZCDA-XQLPTFJDSA-N 1 1 326.404 0.241 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067293087 792947342 /nfs/dbraw/zinc/94/73/42/792947342.db2.gz IKDMAPKWPBGMCM-WMLDXEAASA-N 1 1 325.453 0.572 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001068348415 793097132 /nfs/dbraw/zinc/09/71/32/793097132.db2.gz ROONXHLSIZXCAH-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001067431660 793149224 /nfs/dbraw/zinc/14/92/24/793149224.db2.gz UFPBBQFTYJXSRL-SJORKVTESA-N 1 1 347.459 0.429 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001067431660 793149227 /nfs/dbraw/zinc/14/92/27/793149227.db2.gz UFPBBQFTYJXSRL-SJORKVTESA-N 1 1 347.459 0.429 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCOC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001068408794 793250233 /nfs/dbraw/zinc/25/02/33/793250233.db2.gz LXBUMBLPULEGIQ-CYBMUJFWSA-N 1 1 336.436 0.316 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N(C)CC[NH2+][C@@H](C)c1ncccn1 ZINC001267473441 837498112 /nfs/dbraw/zinc/49/81/12/837498112.db2.gz GMADBKOICXSPOB-ZDUSSCGKSA-N 1 1 348.451 0.849 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2nc3ncccn3n2)C1 ZINC001267495167 837565051 /nfs/dbraw/zinc/56/50/51/837565051.db2.gz BAHVHXMZDCLVEP-AWEZNQCLSA-N 1 1 326.404 0.613 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)Cc2nc3ncccn3n2)C1 ZINC001267495167 837565045 /nfs/dbraw/zinc/56/50/45/837565045.db2.gz BAHVHXMZDCLVEP-AWEZNQCLSA-N 1 1 326.404 0.613 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cccn2C)C1 ZINC001267509030 837597573 /nfs/dbraw/zinc/59/75/73/837597573.db2.gz PHRTWSDZFZWVPJ-CABCVRRESA-N 1 1 330.432 0.605 20 30 ECEDMO COCC#CC[N@@H+](CCCNC(=O)[C@H]1CCc2nncn2C1)C(C)C ZINC001267512621 837605525 /nfs/dbraw/zinc/60/55/25/837605525.db2.gz PFOSMWCUYCQOCM-INIZCTEOSA-N 1 1 347.463 0.707 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2c(C)ccn2C)C1 ZINC001267523698 837679113 /nfs/dbraw/zinc/67/91/13/837679113.db2.gz KXBQMNTVEXYUCR-HNNXBMFYSA-N 1 1 330.432 0.525 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001267536516 837716966 /nfs/dbraw/zinc/71/69/66/837716966.db2.gz UUOFPHVCMKIGGD-QWHCGFSZSA-N 1 1 342.390 0.890 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CCC)S(N)(=O)=O)C1 ZINC001267544889 837734001 /nfs/dbraw/zinc/73/40/01/837734001.db2.gz VGWZACAWDNZXRQ-ZIAGYGMSSA-N 1 1 331.482 0.943 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CCC)S(N)(=O)=O)C1 ZINC001267544889 837734010 /nfs/dbraw/zinc/73/40/10/837734010.db2.gz VGWZACAWDNZXRQ-ZIAGYGMSSA-N 1 1 331.482 0.943 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001267548981 837750045 /nfs/dbraw/zinc/75/00/45/837750045.db2.gz PXYJWFCLCZPQJX-CQSZACIVSA-N 1 1 348.451 0.656 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CCNC(=O)c3cnns3)C2)C1=O ZINC001267551247 837750967 /nfs/dbraw/zinc/75/09/67/837750967.db2.gz LZKPWCYQSMIPFK-CHWSQXEVSA-N 1 1 349.460 0.767 20 30 ECEDMO N#CCSCC(=O)NCC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001267551729 837753728 /nfs/dbraw/zinc/75/37/28/837753728.db2.gz RBQRGCURBHVFQZ-CYBMUJFWSA-N 1 1 339.465 0.097 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001267553250 837757427 /nfs/dbraw/zinc/75/74/27/837757427.db2.gz CTTRILUKWXKSSX-BXUZGUMPSA-N 1 1 343.387 0.133 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cnnc(C)c2)C1 ZINC001267554740 837760141 /nfs/dbraw/zinc/76/01/41/837760141.db2.gz BLOSTXXVYZXGCV-LSDHHAIUSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001267557121 837764204 /nfs/dbraw/zinc/76/42/04/837764204.db2.gz YYDWBBADYSWZAT-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2C)C1 ZINC001267557730 837765523 /nfs/dbraw/zinc/76/55/23/837765523.db2.gz LLRANSNOJGUCCU-HZPDHXFCSA-N 1 1 334.464 0.048 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2C)C1 ZINC001267557730 837765527 /nfs/dbraw/zinc/76/55/27/837765527.db2.gz LLRANSNOJGUCCU-HZPDHXFCSA-N 1 1 334.464 0.048 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2scnc2CC)C1 ZINC001267558609 837767379 /nfs/dbraw/zinc/76/73/79/837767379.db2.gz CRJGVKLERJCLJO-ZDUSSCGKSA-N 1 1 348.472 0.897 20 30 ECEDMO C=C1CC(C)(C(=O)NCC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001267565913 837783310 /nfs/dbraw/zinc/78/33/10/837783310.db2.gz XFPLSVKNYKRQOX-ZDUSSCGKSA-N 1 1 333.436 0.793 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2nonc2C)C1 ZINC001267569503 837795707 /nfs/dbraw/zinc/79/57/07/837795707.db2.gz WFIVWTAJIGTILY-ZDUSSCGKSA-N 1 1 335.408 0.051 20 30 ECEDMO C=C1CC(C)(C(=O)NCC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C2)C1 ZINC001267570314 837800256 /nfs/dbraw/zinc/80/02/56/837800256.db2.gz MKMSOUOROJTFKI-QWHCGFSZSA-N 1 1 336.436 0.754 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)c2cn(C)nc2CC)CC1 ZINC001267572959 837812346 /nfs/dbraw/zinc/81/23/46/837812346.db2.gz CWLFUZYKUXKUAZ-UHFFFAOYSA-N 1 1 331.464 0.695 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC001267574431 837822258 /nfs/dbraw/zinc/82/22/58/837822258.db2.gz HELFABIUZPIGJI-UHFFFAOYSA-N 1 1 329.448 1.000 20 30 ECEDMO CC#CCCCC(=O)NCCC[NH+]1CCN([C@H]2CCN(C)C2=O)CC1 ZINC001266269925 835590173 /nfs/dbraw/zinc/59/01/73/835590173.db2.gz TVTHRROSPBFENH-KRWDZBQOSA-N 1 1 348.491 0.535 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCC[NH+]1CCN(Cc2nnnn2C)CC1 ZINC001266271514 835593046 /nfs/dbraw/zinc/59/30/46/835593046.db2.gz MNVKIZYFEVWQRH-QGZVFWFLSA-N 1 1 349.483 0.436 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001266274956 835598705 /nfs/dbraw/zinc/59/87/05/835598705.db2.gz HGJVBJLKRYKMDS-CWRNSKLLSA-N 1 1 330.432 0.924 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001266274956 835598711 /nfs/dbraw/zinc/59/87/11/835598711.db2.gz HGJVBJLKRYKMDS-CWRNSKLLSA-N 1 1 330.432 0.924 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)c2nccn3cc(C)nc23)CC1 ZINC001266276143 835601286 /nfs/dbraw/zinc/60/12/86/835601286.db2.gz ZYWYWSDFBPHGCL-UHFFFAOYSA-N 1 1 342.447 0.961 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCC ZINC001266278925 835605310 /nfs/dbraw/zinc/60/53/10/835605310.db2.gz WNPKILYREMHGQA-GFCCVEGCSA-N 1 1 326.441 0.871 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(=O)NCC ZINC001266278925 835605313 /nfs/dbraw/zinc/60/53/13/835605313.db2.gz WNPKILYREMHGQA-GFCCVEGCSA-N 1 1 326.441 0.871 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC001266288506 835632066 /nfs/dbraw/zinc/63/20/66/835632066.db2.gz ZBZDKCBTTGMICU-UHFFFAOYSA-N 1 1 325.416 0.472 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1scnc1C(F)F ZINC001266296756 835644542 /nfs/dbraw/zinc/64/45/42/835644542.db2.gz AKHOYXZEUGQUOJ-SECBINFHSA-N 1 1 344.387 0.880 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1scnc1C(F)F ZINC001266296756 835644543 /nfs/dbraw/zinc/64/45/43/835644543.db2.gz AKHOYXZEUGQUOJ-SECBINFHSA-N 1 1 344.387 0.880 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2(COC)CCCCC2)C1 ZINC001266322947 835698057 /nfs/dbraw/zinc/69/80/57/835698057.db2.gz QPKHIUYYTJMMBB-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2(COC)CCCCC2)C1 ZINC001266322947 835698061 /nfs/dbraw/zinc/69/80/61/835698061.db2.gz QPKHIUYYTJMMBB-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001266327945 835709097 /nfs/dbraw/zinc/70/90/97/835709097.db2.gz PDXGILAWIIVOAB-OAHLLOKOSA-N 1 1 345.399 0.005 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001266327945 835709103 /nfs/dbraw/zinc/70/91/03/835709103.db2.gz PDXGILAWIIVOAB-OAHLLOKOSA-N 1 1 345.399 0.005 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001266330177 835711807 /nfs/dbraw/zinc/71/18/07/835711807.db2.gz BWHDVMRBEZRLDP-LBPRGKRZSA-N 1 1 329.356 0.987 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001266330177 835711811 /nfs/dbraw/zinc/71/18/11/835711811.db2.gz BWHDVMRBEZRLDP-LBPRGKRZSA-N 1 1 329.356 0.987 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccncn1 ZINC001266340255 835725402 /nfs/dbraw/zinc/72/54/02/835725402.db2.gz PXOAFWJJNXEJFM-CQSZACIVSA-N 1 1 333.436 0.951 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccncn1 ZINC001266340255 835725408 /nfs/dbraw/zinc/72/54/08/835725408.db2.gz PXOAFWJJNXEJFM-CQSZACIVSA-N 1 1 333.436 0.951 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H](C)Oc2ccccn2)C1=O ZINC001266350967 835748530 /nfs/dbraw/zinc/74/85/30/835748530.db2.gz WSWQCZIZFRBDBU-CABCVRRESA-N 1 1 346.431 0.684 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H](C)Oc2ccccn2)C1=O ZINC001266350967 835748546 /nfs/dbraw/zinc/74/85/46/835748546.db2.gz WSWQCZIZFRBDBU-CABCVRRESA-N 1 1 346.431 0.684 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001266359327 835767075 /nfs/dbraw/zinc/76/70/75/835767075.db2.gz SSWSWXWLYZBUNI-HZPDHXFCSA-N 1 1 347.463 0.944 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2nc(C)cc2C)C1 ZINC001266359327 835767086 /nfs/dbraw/zinc/76/70/86/835767086.db2.gz SSWSWXWLYZBUNI-HZPDHXFCSA-N 1 1 347.463 0.944 20 30 ECEDMO C=CC[C@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001266360092 835769448 /nfs/dbraw/zinc/76/94/48/835769448.db2.gz QPJNQFRGFLDURY-HIFRSBDPSA-N 1 1 346.431 0.978 20 30 ECEDMO C=CC[C@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001266360092 835769457 /nfs/dbraw/zinc/76/94/57/835769457.db2.gz QPJNQFRGFLDURY-HIFRSBDPSA-N 1 1 346.431 0.978 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001266394034 835802336 /nfs/dbraw/zinc/80/23/36/835802336.db2.gz HGBYORMBTIZLCS-MRXNPFEDSA-N 1 1 337.464 0.579 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)Cn1ncc2cc(C)cnc21 ZINC001266403153 835810453 /nfs/dbraw/zinc/81/04/53/835810453.db2.gz GCVASNRZMAKYSD-UHFFFAOYSA-N 1 1 343.431 0.828 20 30 ECEDMO CC[N@H+](CCNC(=O)Cc1cccc(F)c1F)CC(=O)NCC#N ZINC001266421386 835826960 /nfs/dbraw/zinc/82/69/60/835826960.db2.gz VONLARUTHFSCKA-UHFFFAOYSA-N 1 1 338.358 0.585 20 30 ECEDMO CC[N@@H+](CCNC(=O)Cc1cccc(F)c1F)CC(=O)NCC#N ZINC001266421386 835826963 /nfs/dbraw/zinc/82/69/63/835826963.db2.gz VONLARUTHFSCKA-UHFFFAOYSA-N 1 1 338.358 0.585 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@H+](CC)Cc2ccn(C)c(=O)c2)nn1 ZINC001266422909 835827415 /nfs/dbraw/zinc/82/74/15/835827415.db2.gz VCSQZYUTGIYUSG-UHFFFAOYSA-N 1 1 344.419 0.415 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001266429159 835834199 /nfs/dbraw/zinc/83/41/99/835834199.db2.gz ZMGVEDWSSWJLAZ-UONOGXRCSA-N 1 1 345.447 0.091 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001266429159 835834203 /nfs/dbraw/zinc/83/42/03/835834203.db2.gz ZMGVEDWSSWJLAZ-UONOGXRCSA-N 1 1 345.447 0.091 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 ZINC001266452924 835856222 /nfs/dbraw/zinc/85/62/22/835856222.db2.gz TYDIOSVNWVNXGP-GJZGRUSLSA-N 1 1 336.436 0.366 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001266461552 835862924 /nfs/dbraw/zinc/86/29/24/835862924.db2.gz RKBQRLSPPDTGAH-QAPCUYQASA-N 1 1 333.432 0.793 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001266461550 835863658 /nfs/dbraw/zinc/86/36/58/835863658.db2.gz RKBQRLSPPDTGAH-CRAIPNDOSA-N 1 1 333.432 0.793 20 30 ECEDMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1CNC(=O)C#CC(C)C ZINC001266461473 835863962 /nfs/dbraw/zinc/86/39/62/835863962.db2.gz PWAUJUAUAAPGHA-CQSZACIVSA-N 1 1 329.466 0.166 20 30 ECEDMO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H]1CNC(=O)C#CC(C)C ZINC001266461473 835863966 /nfs/dbraw/zinc/86/39/66/835863966.db2.gz PWAUJUAUAAPGHA-CQSZACIVSA-N 1 1 329.466 0.166 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001266464341 835865549 /nfs/dbraw/zinc/86/55/49/835865549.db2.gz YLLLIRBSZCAYHO-HNNXBMFYSA-N 1 1 341.477 0.216 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N(C)C(C)C ZINC001266467697 835868338 /nfs/dbraw/zinc/86/83/38/835868338.db2.gz BCRPEMHILKQTIH-SJORKVTESA-N 1 1 348.491 0.531 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N(C)C(C)C ZINC001266467697 835868339 /nfs/dbraw/zinc/86/83/39/835868339.db2.gz BCRPEMHILKQTIH-SJORKVTESA-N 1 1 348.491 0.531 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001266469206 835871205 /nfs/dbraw/zinc/87/12/05/835871205.db2.gz GTMLGMUYOXXJCN-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001266469742 835871691 /nfs/dbraw/zinc/87/16/91/835871691.db2.gz RGKVEOGFBLVCMP-HNNXBMFYSA-N 1 1 343.493 0.462 20 30 ECEDMO CNC(=O)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)CC#CCOC)C2)CC1 ZINC001266469970 835873140 /nfs/dbraw/zinc/87/31/40/835873140.db2.gz XCUMBFICHTWICJ-HNNXBMFYSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC001266471378 835874445 /nfs/dbraw/zinc/87/44/45/835874445.db2.gz NOIBCEGUAYBGFH-UKRRQHHQSA-N 1 1 349.410 0.185 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC001266471378 835874448 /nfs/dbraw/zinc/87/44/48/835874448.db2.gz NOIBCEGUAYBGFH-UKRRQHHQSA-N 1 1 349.410 0.185 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001266472298 835876311 /nfs/dbraw/zinc/87/63/11/835876311.db2.gz HGUNCXBLPOZTRR-AWEZNQCLSA-N 1 1 344.415 0.321 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001266477266 835879021 /nfs/dbraw/zinc/87/90/21/835879021.db2.gz MLIQBZDHGRZZDL-CBBWQLFWSA-N 1 1 348.447 0.625 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001266477266 835879024 /nfs/dbraw/zinc/87/90/24/835879024.db2.gz MLIQBZDHGRZZDL-CBBWQLFWSA-N 1 1 348.447 0.625 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)noc1C ZINC001266495643 835895673 /nfs/dbraw/zinc/89/56/73/835895673.db2.gz QHZXWQYCSQIYDH-CQSZACIVSA-N 1 1 334.420 0.717 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)noc1C ZINC001266495643 835895682 /nfs/dbraw/zinc/89/56/82/835895682.db2.gz QHZXWQYCSQIYDH-CQSZACIVSA-N 1 1 334.420 0.717 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001266496767 835897511 /nfs/dbraw/zinc/89/75/11/835897511.db2.gz YKYDOIROFACRCN-MQYQWHSLSA-N 1 1 334.420 0.614 20 30 ECEDMO N#CCSCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001266499834 835901497 /nfs/dbraw/zinc/90/14/97/835901497.db2.gz IJIIQSNRIZSQEV-ZDUSSCGKSA-N 1 1 338.477 0.740 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001266507629 835910892 /nfs/dbraw/zinc/91/08/92/835910892.db2.gz AEUPVZCUYUZQHE-OLZOCXBDSA-N 1 1 327.388 0.076 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001266511024 835918119 /nfs/dbraw/zinc/91/81/19/835918119.db2.gz IKZMSEOCKKKGIO-CVEARBPZSA-N 1 1 340.489 0.909 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OCC)nc2)C1 ZINC001266517835 835929744 /nfs/dbraw/zinc/92/97/44/835929744.db2.gz OEBSTGFMCGYTRV-AWEZNQCLSA-N 1 1 346.431 0.834 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cncn2C)C1 ZINC001266520349 835933358 /nfs/dbraw/zinc/93/33/58/835933358.db2.gz LLMQHAMMYYCCNL-OAHLLOKOSA-N 1 1 345.447 0.672 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(C)c2Cl)C1 ZINC001266520656 835933960 /nfs/dbraw/zinc/93/39/60/835933960.db2.gz QSAWJAQVBNDYTR-NSHDSACASA-N 1 1 339.827 0.427 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC001266523134 835938168 /nfs/dbraw/zinc/93/81/68/835938168.db2.gz HFKRVGPQHUWFTB-ZIAGYGMSSA-N 1 1 344.415 0.280 20 30 ECEDMO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001266528179 835943577 /nfs/dbraw/zinc/94/35/77/835943577.db2.gz KXRVKUZTJNOEFC-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001266544806 835966279 /nfs/dbraw/zinc/96/62/79/835966279.db2.gz JCVVYILYYKDUJT-RYQLBKOJSA-N 1 1 339.439 0.978 20 30 ECEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C[C@H](O)COC)C2)CCOCC1 ZINC001266545963 835967606 /nfs/dbraw/zinc/96/76/06/835967606.db2.gz RWTLMTIMWAUCAF-HOTGVXAUSA-N 1 1 340.464 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCCS(C)(=O)=O)C2)cn1 ZINC001266546808 835968953 /nfs/dbraw/zinc/96/89/53/835968953.db2.gz XKXBOFRMCFANPH-AWEZNQCLSA-N 1 1 349.456 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCCS(C)(=O)=O)C2)cn1 ZINC001266546808 835968960 /nfs/dbraw/zinc/96/89/60/835968960.db2.gz XKXBOFRMCFANPH-AWEZNQCLSA-N 1 1 349.456 0.549 20 30 ECEDMO C=C[C@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)c1ccccc1 ZINC001266549317 835972721 /nfs/dbraw/zinc/97/27/21/835972721.db2.gz SMBSTTRUDUFLCM-ZFWWWQNUSA-N 1 1 344.415 0.589 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc(CC)n(C)n2)C1 ZINC001266551802 835977592 /nfs/dbraw/zinc/97/75/92/835977592.db2.gz ZSCXIEBBKPTXLV-CYBMUJFWSA-N 1 1 333.436 0.336 20 30 ECEDMO COCC#CC[NH2+][C@H]1CCN(C(=O)c2n[nH]cc2Br)C1 ZINC001266554647 835981827 /nfs/dbraw/zinc/98/18/27/835981827.db2.gz BUSTVYGUVCRUOU-JTQLQIEISA-N 1 1 341.209 0.626 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001266572926 836002635 /nfs/dbraw/zinc/00/26/35/836002635.db2.gz AWZSNGYOOZLBAV-JJXSEGSLSA-N 1 1 335.448 0.520 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)C[C@H]1CCOC[C@H]1OC)C1CC1 ZINC001266594154 836025615 /nfs/dbraw/zinc/02/56/15/836025615.db2.gz HBNLAOVSHYSOID-NVXWUHKLSA-N 1 1 338.448 0.658 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cc(Cl)no1)C1CC1 ZINC001266617810 836052599 /nfs/dbraw/zinc/05/25/99/836052599.db2.gz XZPHGRGUWUGJDC-JTQLQIEISA-N 1 1 338.795 0.660 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cc(Cl)no1)C1CC1 ZINC001266617810 836052611 /nfs/dbraw/zinc/05/26/11/836052611.db2.gz XZPHGRGUWUGJDC-JTQLQIEISA-N 1 1 338.795 0.660 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C1CC1 ZINC001266647934 836082428 /nfs/dbraw/zinc/08/24/28/836082428.db2.gz HQJOWFUQUYJFEX-YTTRVJOFSA-N 1 1 347.459 0.757 20 30 ECEDMO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)NCC#N)[NH+](C)C ZINC001266650208 836085019 /nfs/dbraw/zinc/08/50/19/836085019.db2.gz LMWDVMPJNPVZOF-JALIKCBVSA-N 1 1 335.452 0.078 20 30 ECEDMO Cc1conc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC#N ZINC001266653684 836089189 /nfs/dbraw/zinc/08/91/89/836089189.db2.gz PXTAYSDSXKPEAI-YHWZYXNKSA-N 1 1 331.376 0.348 20 30 ECEDMO Cc1conc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC#N ZINC001266653684 836089199 /nfs/dbraw/zinc/08/91/99/836089199.db2.gz PXTAYSDSXKPEAI-YHWZYXNKSA-N 1 1 331.376 0.348 20 30 ECEDMO C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001266662990 836100038 /nfs/dbraw/zinc/10/00/38/836100038.db2.gz KRQSJXIELNXSBT-GJZGRUSLSA-N 1 1 348.447 0.817 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csnn2)C1 ZINC001266716582 836191438 /nfs/dbraw/zinc/19/14/38/836191438.db2.gz MQCDZJXZNNBXNG-MBNYWOFBSA-N 1 1 337.449 0.746 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001266725320 836203370 /nfs/dbraw/zinc/20/33/70/836203370.db2.gz CNUUDNLDYJIBAI-UPJWGTAASA-N 1 1 331.420 0.062 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccco2)C1 ZINC001266737612 836220411 /nfs/dbraw/zinc/22/04/11/836220411.db2.gz ZGHGWGXTYMHXPX-GXMNPTEKSA-N 1 1 330.388 0.761 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccco2)C1 ZINC001266737612 836220421 /nfs/dbraw/zinc/22/04/21/836220421.db2.gz ZGHGWGXTYMHXPX-GXMNPTEKSA-N 1 1 330.388 0.761 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266739931 836222189 /nfs/dbraw/zinc/22/21/89/836222189.db2.gz HCQAOLIJGXZOGR-KGLIPLIRSA-N 1 1 336.461 0.209 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001266756022 836251192 /nfs/dbraw/zinc/25/11/92/836251192.db2.gz YEHYJFOELHZTRW-CQSZACIVSA-N 1 1 346.431 0.980 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC001266764257 836267896 /nfs/dbraw/zinc/26/78/96/836267896.db2.gz NTGPWRFKPYZTDO-CQSZACIVSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CC3(O)CCC3)C2)C1=O ZINC000971511696 836288596 /nfs/dbraw/zinc/28/85/96/836288596.db2.gz OXIPOSRHZBYGKL-GJZGRUSLSA-N 1 1 335.448 0.611 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1cc(C)on1 ZINC001266837241 836362255 /nfs/dbraw/zinc/36/22/55/836362255.db2.gz LPVHLKGAKKXMQM-HNNXBMFYSA-N 1 1 334.420 0.798 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cc(C)on1 ZINC001266837241 836362260 /nfs/dbraw/zinc/36/22/60/836362260.db2.gz LPVHLKGAKKXMQM-HNNXBMFYSA-N 1 1 334.420 0.798 20 30 ECEDMO C#CCNC(=O)CN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266853915 836386553 /nfs/dbraw/zinc/38/65/53/836386553.db2.gz WISYPELLGDBECX-ULQDDVLXSA-N 1 1 348.491 0.437 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001266898582 836450642 /nfs/dbraw/zinc/45/06/42/836450642.db2.gz XDKPDSOGBZUOII-KGLIPLIRSA-N 1 1 346.431 0.594 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001266902917 836458180 /nfs/dbraw/zinc/45/81/80/836458180.db2.gz JZUKVDNVOZGERN-FXZJEQNSSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001266902917 836458186 /nfs/dbraw/zinc/45/81/86/836458186.db2.gz JZUKVDNVOZGERN-FXZJEQNSSA-N 1 1 345.443 0.130 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H](C)[NH2+]Cc2nnnn2CCC)cc1 ZINC001266961613 836531503 /nfs/dbraw/zinc/53/15/03/836531503.db2.gz UVOXYKVUVPDFJI-ZDUSSCGKSA-N 1 1 326.404 0.973 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](C[NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001267038792 836663672 /nfs/dbraw/zinc/66/36/72/836663672.db2.gz ZLKYLOGVNMVDRS-CYBMUJFWSA-N 1 1 347.419 0.100 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001267041017 836666234 /nfs/dbraw/zinc/66/62/34/836666234.db2.gz JXRQCTCDJPNSJR-UONOGXRCSA-N 1 1 343.431 0.017 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)C2(C(F)F)CC2)CC1 ZINC001299161510 836686348 /nfs/dbraw/zinc/68/63/48/836686348.db2.gz DXOPQNGDAOIJDD-LBPRGKRZSA-N 1 1 339.386 0.894 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)C2(C(F)F)CC2)CC1 ZINC001299161510 836686351 /nfs/dbraw/zinc/68/63/51/836686351.db2.gz DXOPQNGDAOIJDD-LBPRGKRZSA-N 1 1 339.386 0.894 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CCCCOC)C1 ZINC001267099883 836769965 /nfs/dbraw/zinc/76/99/65/836769965.db2.gz FCGFKHUCKNJZNI-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2ccnn2CC)C1 ZINC001267104789 836781279 /nfs/dbraw/zinc/78/12/79/836781279.db2.gz FSXIRLHWSZRIDD-CABCVRRESA-N 1 1 345.447 0.577 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2nnc(C)o2)C1 ZINC001267106026 836786893 /nfs/dbraw/zinc/78/68/93/836786893.db2.gz NZIIEQCSEWAVRJ-OCCSQVGLSA-N 1 1 349.435 0.534 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2nc(C)cc2C)C1 ZINC001267107775 836789945 /nfs/dbraw/zinc/78/99/45/836789945.db2.gz JCXINCQTUZQPHT-MRXNPFEDSA-N 1 1 345.447 0.172 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2nc(C)cc2C)C1 ZINC001267107775 836789955 /nfs/dbraw/zinc/78/99/55/836789955.db2.gz JCXINCQTUZQPHT-MRXNPFEDSA-N 1 1 345.447 0.172 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001267111809 836797795 /nfs/dbraw/zinc/79/77/95/836797795.db2.gz SUXLVLAQNSJRGE-CJNGLKHVSA-N 1 1 327.400 0.340 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001267111809 836797805 /nfs/dbraw/zinc/79/78/05/836797805.db2.gz SUXLVLAQNSJRGE-CJNGLKHVSA-N 1 1 327.400 0.340 20 30 ECEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001267115801 836809980 /nfs/dbraw/zinc/80/99/80/836809980.db2.gz ZOFHCOAZCNDFQB-GOEBONIOSA-N 1 1 341.477 0.404 20 30 ECEDMO Cc1nc(C)c(C(=O)NCCC[C@H]2CCC[N@H+]2CC(=O)NCC#N)o1 ZINC001267163601 836881951 /nfs/dbraw/zinc/88/19/51/836881951.db2.gz XCGRMTVWUPGYDT-AWEZNQCLSA-N 1 1 347.419 0.906 20 30 ECEDMO C#CCOCCC(=O)NCC[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001267193870 836959354 /nfs/dbraw/zinc/95/93/54/836959354.db2.gz FIBZCPHPVOZEQO-GFCCVEGCSA-N 1 1 349.353 0.238 20 30 ECEDMO C#CCOCCC(=O)NCC[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001267193870 836959362 /nfs/dbraw/zinc/95/93/62/836959362.db2.gz FIBZCPHPVOZEQO-GFCCVEGCSA-N 1 1 349.353 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)CC(=O)N1CCCCCC1 ZINC001267200863 836975710 /nfs/dbraw/zinc/97/57/10/836975710.db2.gz SGSZVRABMFQEFU-KRWDZBQOSA-N 1 1 348.491 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CC(=O)N1CCCCCC1 ZINC001267200863 836975723 /nfs/dbraw/zinc/97/57/23/836975723.db2.gz SGSZVRABMFQEFU-KRWDZBQOSA-N 1 1 348.491 0.535 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC1(F)F ZINC001267203030 836978280 /nfs/dbraw/zinc/97/82/80/836978280.db2.gz BPLHUEBEHVIRIG-JTQLQIEISA-N 1 1 332.351 0.092 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC1(F)F ZINC001267203030 836978288 /nfs/dbraw/zinc/97/82/88/836978288.db2.gz BPLHUEBEHVIRIG-JTQLQIEISA-N 1 1 332.351 0.092 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ncc(C)cc1C ZINC001267209824 836995469 /nfs/dbraw/zinc/99/54/69/836995469.db2.gz NGIWSWGBMLNCEI-UHFFFAOYSA-N 1 1 347.419 0.372 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ncc(C)cc1C ZINC001267209824 836995475 /nfs/dbraw/zinc/99/54/75/836995475.db2.gz NGIWSWGBMLNCEI-UHFFFAOYSA-N 1 1 347.419 0.372 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC=CCC1 ZINC001267212530 837001355 /nfs/dbraw/zinc/00/13/55/837001355.db2.gz ORYKKCNNXDQXQI-AWEZNQCLSA-N 1 1 336.436 0.793 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC=CCC1 ZINC001267212530 837001365 /nfs/dbraw/zinc/00/13/65/837001365.db2.gz ORYKKCNNXDQXQI-AWEZNQCLSA-N 1 1 336.436 0.793 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC(C)C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC001267240884 837048010 /nfs/dbraw/zinc/04/80/10/837048010.db2.gz BRDFZXCPAHNAET-CQSZACIVSA-N 1 1 338.452 0.707 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC(C)C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC001267240884 837048013 /nfs/dbraw/zinc/04/80/13/837048013.db2.gz BRDFZXCPAHNAET-CQSZACIVSA-N 1 1 338.452 0.707 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)[C@H]1CCN(c2ccn(C)n2)C1=O ZINC001267241251 837049337 /nfs/dbraw/zinc/04/93/37/837049337.db2.gz PZEBZZKXUKJRLE-HNNXBMFYSA-N 1 1 343.431 0.377 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)[C@H]1CCN(c2ccn(C)n2)C1=O ZINC001267241251 837049345 /nfs/dbraw/zinc/04/93/45/837049345.db2.gz PZEBZZKXUKJRLE-HNNXBMFYSA-N 1 1 343.431 0.377 20 30 ECEDMO CC[N@H+](CCNC(=O)c1nc(Cl)sc1C)CC(=O)NCC#N ZINC001267244455 837057680 /nfs/dbraw/zinc/05/76/80/837057680.db2.gz DRNTUBCJFVOYQI-UHFFFAOYSA-N 1 1 343.840 0.796 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1nc(Cl)sc1C)CC(=O)NCC#N ZINC001267244455 837057692 /nfs/dbraw/zinc/05/76/92/837057692.db2.gz DRNTUBCJFVOYQI-UHFFFAOYSA-N 1 1 343.840 0.796 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cn(C(C)C)nc1C)CC(=O)NCC#N ZINC001267254142 837073808 /nfs/dbraw/zinc/07/38/08/837073808.db2.gz FFKNGJABJGAQQV-UHFFFAOYSA-N 1 1 334.424 0.464 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cn(C(C)C)nc1C)CC(=O)NCC#N ZINC001267254142 837073817 /nfs/dbraw/zinc/07/38/17/837073817.db2.gz FFKNGJABJGAQQV-UHFFFAOYSA-N 1 1 334.424 0.464 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cc(CC)nn1C ZINC001267253702 837074347 /nfs/dbraw/zinc/07/43/47/837074347.db2.gz QPSBLQKCQBGBAL-CYBMUJFWSA-N 1 1 333.436 0.172 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cc(CC)nn1C ZINC001267253702 837074354 /nfs/dbraw/zinc/07/43/54/837074354.db2.gz QPSBLQKCQBGBAL-CYBMUJFWSA-N 1 1 333.436 0.172 20 30 ECEDMO CC[N@H+](CCNC(=O)Cc1ccc(Cl)cc1)CC(=O)NCC#N ZINC001267255236 837075097 /nfs/dbraw/zinc/07/50/97/837075097.db2.gz UUBJVYDBUIRDBZ-UHFFFAOYSA-N 1 1 336.823 0.960 20 30 ECEDMO CC[N@@H+](CCNC(=O)Cc1ccc(Cl)cc1)CC(=O)NCC#N ZINC001267255236 837075107 /nfs/dbraw/zinc/07/51/07/837075107.db2.gz UUBJVYDBUIRDBZ-UHFFFAOYSA-N 1 1 336.823 0.960 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1nc(C)c(C)s1 ZINC001267255784 837078642 /nfs/dbraw/zinc/07/86/42/837078642.db2.gz COMHGFQXGYZDLT-GFCCVEGCSA-N 1 1 336.461 0.950 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1nc(C)c(C)s1 ZINC001267255784 837078649 /nfs/dbraw/zinc/07/86/49/837078649.db2.gz COMHGFQXGYZDLT-GFCCVEGCSA-N 1 1 336.461 0.950 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H](C)c1cccnc1 ZINC001267256104 837081771 /nfs/dbraw/zinc/08/17/71/837081771.db2.gz XRZMOARJKTYBTH-CABCVRRESA-N 1 1 330.432 0.761 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H](C)c1cccnc1 ZINC001267256104 837081779 /nfs/dbraw/zinc/08/17/79/837081779.db2.gz XRZMOARJKTYBTH-CABCVRRESA-N 1 1 330.432 0.761 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC12CCOCC2 ZINC001267259972 837088432 /nfs/dbraw/zinc/08/84/32/837088432.db2.gz UNTARWBHOJMPMD-CABCVRRESA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC12CCOCC2 ZINC001267259972 837088438 /nfs/dbraw/zinc/08/84/38/837088438.db2.gz UNTARWBHOJMPMD-CABCVRRESA-N 1 1 337.464 0.932 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cncc(F)c1 ZINC001267262961 837094813 /nfs/dbraw/zinc/09/48/13/837094813.db2.gz GWBCCPQYNUBDLT-WFASDCNBSA-N 1 1 332.379 0.553 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cncc(F)c1 ZINC001267262961 837094822 /nfs/dbraw/zinc/09/48/22/837094822.db2.gz GWBCCPQYNUBDLT-WFASDCNBSA-N 1 1 332.379 0.553 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CN1CCCCS1(=O)=O ZINC001267274948 837116440 /nfs/dbraw/zinc/11/64/40/837116440.db2.gz DOPSJKMFKWXVBQ-AWEZNQCLSA-N 1 1 327.450 0.016 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ncccc1F ZINC001267274012 837116780 /nfs/dbraw/zinc/11/67/80/837116780.db2.gz JXEXRLUSBNCTEC-CYBMUJFWSA-N 1 1 332.379 0.093 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ncccc1F ZINC001267274012 837116786 /nfs/dbraw/zinc/11/67/86/837116786.db2.gz JXEXRLUSBNCTEC-CYBMUJFWSA-N 1 1 332.379 0.093 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccn(C)c1CC ZINC001267276777 837119954 /nfs/dbraw/zinc/11/99/54/837119954.db2.gz VMEIUEYZVYOMCN-AWEZNQCLSA-N 1 1 330.432 0.531 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(C)c1CC ZINC001267276777 837119960 /nfs/dbraw/zinc/11/99/60/837119960.db2.gz VMEIUEYZVYOMCN-AWEZNQCLSA-N 1 1 330.432 0.531 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1nonc1C ZINC001267283167 837132166 /nfs/dbraw/zinc/13/21/66/837132166.db2.gz JGCGVCNXBAAGBK-CQSZACIVSA-N 1 1 347.419 0.773 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nonc1C ZINC001267283167 837132175 /nfs/dbraw/zinc/13/21/75/837132175.db2.gz JGCGVCNXBAAGBK-CQSZACIVSA-N 1 1 347.419 0.773 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001267285152 837135997 /nfs/dbraw/zinc/13/59/97/837135997.db2.gz CPXHECOLQVSASP-UONOGXRCSA-N 1 1 332.404 0.062 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC001267291104 837142445 /nfs/dbraw/zinc/14/24/45/837142445.db2.gz ZGWYFPWKKJUSNZ-STQMWFEESA-N 1 1 334.395 0.963 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1nc(Cl)cs1)CC(=O)NCC#N ZINC001267317258 837194136 /nfs/dbraw/zinc/19/41/36/837194136.db2.gz TVEXFMDDMRLWTL-UHFFFAOYSA-N 1 1 343.840 0.878 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1nc(Cl)cs1)CC(=O)NCC#N ZINC001267317258 837194142 /nfs/dbraw/zinc/19/41/42/837194142.db2.gz TVEXFMDDMRLWTL-UHFFFAOYSA-N 1 1 343.840 0.878 20 30 ECEDMO CC#CC[N@@H+](CCC)CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001267318670 837195475 /nfs/dbraw/zinc/19/54/75/837195475.db2.gz QLUCUVWXPQRGSK-UHFFFAOYSA-N 1 1 334.424 0.030 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(C)nnc1C)C1CC1 ZINC001267326904 837204963 /nfs/dbraw/zinc/20/49/63/837204963.db2.gz ZYGDUOPRCLMIRI-UHFFFAOYSA-N 1 1 329.404 0.037 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cc(C)nnc1C)C1CC1 ZINC001267326904 837204974 /nfs/dbraw/zinc/20/49/74/837204974.db2.gz ZYGDUOPRCLMIRI-UHFFFAOYSA-N 1 1 329.404 0.037 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1cnc2ccccn12)C1CC1 ZINC001267328153 837208846 /nfs/dbraw/zinc/20/88/46/837208846.db2.gz MEYDIIDHDORCHY-UHFFFAOYSA-N 1 1 340.387 0.168 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1cnc2ccccn12)C1CC1 ZINC001267328153 837208858 /nfs/dbraw/zinc/20/88/58/837208858.db2.gz MEYDIIDHDORCHY-UHFFFAOYSA-N 1 1 340.387 0.168 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cn(C)c(=O)[nH]1)C1CC1 ZINC001267332441 837213617 /nfs/dbraw/zinc/21/36/17/837213617.db2.gz MCNYWHJPMVIHCL-LLVKDONJSA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cn(C)c(=O)[nH]1)C1CC1 ZINC001267332441 837213625 /nfs/dbraw/zinc/21/36/25/837213625.db2.gz MCNYWHJPMVIHCL-LLVKDONJSA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@H+](CC(=O)N2CCCC2)C2CC2)nn1 ZINC001267333655 837215002 /nfs/dbraw/zinc/21/50/02/837215002.db2.gz IMXAOCAYXOEDBU-UHFFFAOYSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@@H+](CC(=O)N2CCCC2)C2CC2)nn1 ZINC001267333655 837215015 /nfs/dbraw/zinc/21/50/15/837215015.db2.gz IMXAOCAYXOEDBU-UHFFFAOYSA-N 1 1 346.435 0.281 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1ccncc1Cl)C1CC1 ZINC001267333891 837217485 /nfs/dbraw/zinc/21/74/85/837217485.db2.gz PMAMVTDVDONZFR-UHFFFAOYSA-N 1 1 335.795 0.569 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1ccncc1Cl)C1CC1 ZINC001267333891 837217489 /nfs/dbraw/zinc/21/74/89/837217489.db2.gz PMAMVTDVDONZFR-UHFFFAOYSA-N 1 1 335.795 0.569 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1nnc(C2CC2)o1 ZINC001267386556 837322437 /nfs/dbraw/zinc/32/24/37/837322437.db2.gz MCINGKQUPGUHJN-AWEZNQCLSA-N 1 1 331.420 0.593 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1nnc(C2CC2)o1 ZINC001267386556 837322445 /nfs/dbraw/zinc/32/24/45/837322445.db2.gz MCINGKQUPGUHJN-AWEZNQCLSA-N 1 1 331.420 0.593 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccnc(C)c2)C1 ZINC001267583799 837852303 /nfs/dbraw/zinc/85/23/03/837852303.db2.gz SGKXNINJBSWQET-HNNXBMFYSA-N 1 1 328.416 0.581 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)C[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001267586910 837867751 /nfs/dbraw/zinc/86/77/51/837867751.db2.gz BZWKFSFZDVPJTR-QZTJIDSGSA-N 1 1 339.439 0.955 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](C[N@@H+](C)Cc2cnon2)C1 ZINC001267590559 837878565 /nfs/dbraw/zinc/87/85/65/837878565.db2.gz TZIIDJORDCXAML-ZBFHGGJFSA-N 1 1 349.435 0.821 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](C[N@H+](C)Cc2cnon2)C1 ZINC001267590559 837878573 /nfs/dbraw/zinc/87/85/73/837878573.db2.gz TZIIDJORDCXAML-ZBFHGGJFSA-N 1 1 349.435 0.821 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2cnc(OC)nc2)C1 ZINC001267594858 837896439 /nfs/dbraw/zinc/89/64/39/837896439.db2.gz NIHDRXAPYXTVSG-AWEZNQCLSA-N 1 1 332.404 0.577 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC001267602601 837927145 /nfs/dbraw/zinc/92/71/45/837927145.db2.gz GTVJYNAAXTUTPM-KRWDZBQOSA-N 1 1 336.436 0.223 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 ZINC001267603972 837933852 /nfs/dbraw/zinc/93/38/52/837933852.db2.gz ANPWLLLRBHDBOD-UHFFFAOYSA-N 1 1 348.447 0.158 20 30 ECEDMO C#CCOCCC(=O)N(C)CC[NH+]1CCN(Cc2cncn2C)CC1 ZINC001267607613 837951391 /nfs/dbraw/zinc/95/13/91/837951391.db2.gz OFZCCFWYISJSBG-UHFFFAOYSA-N 1 1 347.463 0.036 20 30 ECEDMO C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001267629165 838083233 /nfs/dbraw/zinc/08/32/33/838083233.db2.gz PNADVZOICLRRBG-ZFWWWQNUSA-N 1 1 347.419 0.149 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cncc(OC)n2)C1 ZINC001267646533 838133338 /nfs/dbraw/zinc/13/33/38/838133338.db2.gz QASJEGLCNKQTQV-GJZGRUSLSA-N 1 1 346.431 0.804 20 30 ECEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001267665270 838190382 /nfs/dbraw/zinc/19/03/82/838190382.db2.gz FKPYWJPTADZVKH-ZDUSSCGKSA-N 1 1 329.404 0.911 20 30 ECEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267666294 838191303 /nfs/dbraw/zinc/19/13/03/838191303.db2.gz SDISLDJMOFGLKE-CYBMUJFWSA-N 1 1 327.392 0.637 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH+]1CC(CNC(=O)c2cc(C)nn2C)C1 ZINC001267673457 838218299 /nfs/dbraw/zinc/21/82/99/838218299.db2.gz BCCZGAJZZWSHPE-UHFFFAOYSA-N 1 1 345.447 0.591 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)c2occc2Cl)C1 ZINC001267684369 838246771 /nfs/dbraw/zinc/24/67/71/838246771.db2.gz PZPOSURBFMPOSE-LLVKDONJSA-N 1 1 338.795 0.967 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001267684993 838248484 /nfs/dbraw/zinc/24/84/84/838248484.db2.gz WEPFISVPMMQQKJ-CABCVRRESA-N 1 1 329.448 0.724 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001267689353 838258811 /nfs/dbraw/zinc/25/88/11/838258811.db2.gz DFXRQWVIYPAAKV-ZIAGYGMSSA-N 1 1 333.436 0.423 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001267697107 838289991 /nfs/dbraw/zinc/28/99/91/838289991.db2.gz OSVCHGQSBDTKHF-ZIAGYGMSSA-N 1 1 329.404 0.008 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cc2ccc(C)nc2)C1 ZINC001267698547 838292349 /nfs/dbraw/zinc/29/23/49/838292349.db2.gz BOUJGICOLFBQAG-CQSZACIVSA-N 1 1 330.432 0.671 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCCCS(N)(=O)=O)C1 ZINC001267714457 838343233 /nfs/dbraw/zinc/34/32/33/838343233.db2.gz HYLHCICFSDQZFA-AWEZNQCLSA-N 1 1 329.466 0.249 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CCc3cnccn3)C2)C1=O ZINC001267732182 838423573 /nfs/dbraw/zinc/42/35/73/838423573.db2.gz FOOAPROSRRRNGA-JKSUJKDBSA-N 1 1 343.431 0.387 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CCc3cnccn3)C2)C1=O ZINC001267732182 838423575 /nfs/dbraw/zinc/42/35/75/838423575.db2.gz FOOAPROSRRRNGA-JKSUJKDBSA-N 1 1 343.431 0.387 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001267747162 838453708 /nfs/dbraw/zinc/45/37/08/838453708.db2.gz MBYOIHDZBIDOGI-LSDHHAIUSA-N 1 1 333.436 0.635 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2ccc(C)n2)C1 ZINC001267747162 838453710 /nfs/dbraw/zinc/45/37/10/838453710.db2.gz MBYOIHDZBIDOGI-LSDHHAIUSA-N 1 1 333.436 0.635 20 30 ECEDMO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC001267750189 838468791 /nfs/dbraw/zinc/46/87/91/838468791.db2.gz VIBAMGNBYXPQAN-OAHLLOKOSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnnn2CC)C1 ZINC001267761469 838490145 /nfs/dbraw/zinc/49/01/45/838490145.db2.gz ICOTZMUYXBTZAZ-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnnn2CC)C1 ZINC001267761469 838490149 /nfs/dbraw/zinc/49/01/49/838490149.db2.gz ICOTZMUYXBTZAZ-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC001267762513 838491867 /nfs/dbraw/zinc/49/18/67/838491867.db2.gz RAEWFNNHJALXDT-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC001267762513 838491869 /nfs/dbraw/zinc/49/18/69/838491869.db2.gz RAEWFNNHJALXDT-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCCF)C1 ZINC001267769942 838517381 /nfs/dbraw/zinc/51/73/81/838517381.db2.gz FISFSWFMCBLIAC-OLZOCXBDSA-N 1 1 342.415 0.669 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCCF)C1 ZINC001267769942 838517388 /nfs/dbraw/zinc/51/73/88/838517388.db2.gz FISFSWFMCBLIAC-OLZOCXBDSA-N 1 1 342.415 0.669 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cccn2)C1 ZINC001267776996 838541750 /nfs/dbraw/zinc/54/17/50/838541750.db2.gz ITCZSGMNVKUTCB-CVEARBPZSA-N 1 1 345.447 0.334 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCCn2cccn2)C1 ZINC001267776996 838541760 /nfs/dbraw/zinc/54/17/60/838541760.db2.gz ITCZSGMNVKUTCB-CVEARBPZSA-N 1 1 345.447 0.334 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)CCn2cccn2)C1 ZINC001267779930 838552158 /nfs/dbraw/zinc/55/21/58/838552158.db2.gz HSIGGEDZICPPJH-CVEARBPZSA-N 1 1 347.463 0.887 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CCn2cccn2)C1 ZINC001267779930 838552163 /nfs/dbraw/zinc/55/21/63/838552163.db2.gz HSIGGEDZICPPJH-CVEARBPZSA-N 1 1 347.463 0.887 20 30 ECEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001267787272 838564163 /nfs/dbraw/zinc/56/41/63/838564163.db2.gz ZFPSTFWZFDPFMP-AWEZNQCLSA-N 1 1 331.482 0.767 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(OC)nc2)C1 ZINC001267787911 838565011 /nfs/dbraw/zinc/56/50/11/838565011.db2.gz MOCGXYVQFUYAEL-OAHLLOKOSA-N 1 1 346.431 0.929 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(OC)nc2)C1 ZINC001267787911 838565014 /nfs/dbraw/zinc/56/50/14/838565014.db2.gz MOCGXYVQFUYAEL-OAHLLOKOSA-N 1 1 346.431 0.929 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H](CC)CNC(=O)c2[nH]nc3c2CCC3)C1=O ZINC001267810777 838591987 /nfs/dbraw/zinc/59/19/87/838591987.db2.gz LSOYDQYCKTVERJ-WFASDCNBSA-N 1 1 345.447 0.783 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CC)CC)C1 ZINC001267930944 838810934 /nfs/dbraw/zinc/81/09/34/838810934.db2.gz GBBHRCHTNSGHAR-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CC)CC)C1 ZINC001267930944 838810945 /nfs/dbraw/zinc/81/09/45/838810945.db2.gz GBBHRCHTNSGHAR-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267971166 838892251 /nfs/dbraw/zinc/89/22/51/838892251.db2.gz ZXKNGVJLHXNPPF-MRXNPFEDSA-N 1 1 347.463 0.855 20 30 ECEDMO COCC#CC[N@H+]1CCC2(C1)CCN(C(=O)C1CN(C(C)=O)C1)CC2 ZINC001267973297 838904863 /nfs/dbraw/zinc/90/48/63/838904863.db2.gz LKLYGVJSVIWCNL-UHFFFAOYSA-N 1 1 347.459 0.429 20 30 ECEDMO Cc1cnoc1C(=O)N1CCC2(CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001267973984 838907984 /nfs/dbraw/zinc/90/79/84/838907984.db2.gz IFMCQOXXTGLZRB-UHFFFAOYSA-N 1 1 345.403 0.551 20 30 ECEDMO C[C@H](CNC(=O)Cc1[nH]nc2ccccc21)C[NH2+]CC(=O)NCC#N ZINC001268015467 838978423 /nfs/dbraw/zinc/97/84/23/838978423.db2.gz NGNOBGYOVTWWEY-LBPRGKRZSA-N 1 1 342.403 0.087 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)COC)[C@H]2C1 ZINC000975776543 839006910 /nfs/dbraw/zinc/00/69/10/839006910.db2.gz ZXXNJIOHGJILEG-JYJNAYRXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)COC)[C@H]2C1 ZINC000975776543 839006921 /nfs/dbraw/zinc/00/69/21/839006921.db2.gz ZXXNJIOHGJILEG-JYJNAYRXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](CCCOCC)CCO2)c1 ZINC001268027452 839036391 /nfs/dbraw/zinc/03/63/91/839036391.db2.gz QQLMNFRXEOTPPC-QGZVFWFLSA-N 1 1 331.416 0.920 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CCCOCC)CCO2)c1 ZINC001268027452 839036403 /nfs/dbraw/zinc/03/64/03/839036403.db2.gz QQLMNFRXEOTPPC-QGZVFWFLSA-N 1 1 331.416 0.920 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc2cncn2c1C ZINC001268070013 839264301 /nfs/dbraw/zinc/26/43/01/839264301.db2.gz BFKUIDMSVRLNMF-ZDUSSCGKSA-N 1 1 343.431 0.995 20 30 ECEDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000177910468 529383948 /nfs/dbraw/zinc/38/39/48/529383948.db2.gz GLLYHMJHKYVGRE-OAHLLOKOSA-N 1 1 344.415 0.720 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000374580654 295822335 /nfs/dbraw/zinc/82/23/35/295822335.db2.gz SNXIIPDSNLFTCM-STQMWFEESA-N 1 1 332.495 0.588 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](CC)C(N)=O)C3)C2)c1 ZINC001041661858 781944160 /nfs/dbraw/zinc/94/41/60/781944160.db2.gz YRQJGQLRHDDAIL-LPHOPBHVSA-N 1 1 340.427 0.865 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000246396159 243243055 /nfs/dbraw/zinc/24/30/55/243243055.db2.gz JCXBBOOJGGFPKM-SUMDDJOVSA-N 1 1 345.443 0.950 20 30 ECEDMO C[N@H+](CCN1CCOCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000265061902 247169943 /nfs/dbraw/zinc/16/99/43/247169943.db2.gz SSZMHBQECVBYIV-KRWDZBQOSA-N 1 1 328.416 0.928 20 30 ECEDMO C[N@@H+](CCN1CCOCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000265061902 247169947 /nfs/dbraw/zinc/16/99/47/247169947.db2.gz SSZMHBQECVBYIV-KRWDZBQOSA-N 1 1 328.416 0.928 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(C#N)n1C ZINC000448869193 211262395 /nfs/dbraw/zinc/26/23/95/211262395.db2.gz QHBIHHRJLBUZLO-HNNXBMFYSA-N 1 1 331.420 0.569 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000337090560 285003059 /nfs/dbraw/zinc/00/30/59/285003059.db2.gz JVUNTKDHXPWZCN-UONOGXRCSA-N 1 1 332.470 0.413 20 30 ECEDMO COCC(COC)[NH+]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000411866778 208155374 /nfs/dbraw/zinc/15/53/74/208155374.db2.gz WBBUTIUBFFRENG-QGZVFWFLSA-N 1 1 346.431 0.364 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@]3(O)CCOC3)CC2)cc1 ZINC000413081563 208280106 /nfs/dbraw/zinc/28/01/06/208280106.db2.gz XVHQMUXDKCREBC-SFHVURJKSA-N 1 1 329.400 0.744 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@]3(O)CCOC3)CC2)cc1 ZINC000413081563 208280111 /nfs/dbraw/zinc/28/01/11/208280111.db2.gz XVHQMUXDKCREBC-SFHVURJKSA-N 1 1 329.400 0.744 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+](C)C1 ZINC000413891967 208363353 /nfs/dbraw/zinc/36/33/53/208363353.db2.gz HUGJSRLAQHXSSC-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO CC(C)(C(N)=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000430693248 210397514 /nfs/dbraw/zinc/39/75/14/210397514.db2.gz GHYZAJMTHIXOMI-UHFFFAOYSA-N 1 1 343.431 0.768 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCC(N3CCNC3=O)CC2)C1 ZINC000329631823 254613298 /nfs/dbraw/zinc/61/32/98/254613298.db2.gz WQECITHQTSIPPI-ZDUSSCGKSA-N 1 1 339.440 0.315 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC(=O)NC)c2)C[C@@H]1C ZINC000330666179 254641689 /nfs/dbraw/zinc/64/16/89/254641689.db2.gz WFCQCSUUQBLBIM-JSGCOSHPSA-N 1 1 336.440 0.979 20 30 ECEDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)N(CCC#N)CCOC)C[C@H]1C ZINC000337096007 285370462 /nfs/dbraw/zinc/37/04/62/285370462.db2.gz QUPDUAXJRUKYID-HUUCEWRRSA-N 1 1 346.497 0.898 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000255135039 296741141 /nfs/dbraw/zinc/74/11/41/296741141.db2.gz RQKBSMDCHUNSQD-WAYWQWQTSA-N 1 1 326.400 0.852 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000246046682 165121206 /nfs/dbraw/zinc/12/12/06/165121206.db2.gz ZKEBZZOWQUUIDQ-TZMCWYRMSA-N 1 1 326.356 0.387 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000246046682 165121208 /nfs/dbraw/zinc/12/12/08/165121208.db2.gz ZKEBZZOWQUUIDQ-TZMCWYRMSA-N 1 1 326.356 0.387 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cn(C)nn3)C2)C1 ZINC001041696339 782013795 /nfs/dbraw/zinc/01/37/95/782013795.db2.gz OHPBHYQAGFUBRA-SOLBZPMBSA-N 1 1 345.447 0.831 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3cn(C)nn3)C2)C1 ZINC001041696339 782013803 /nfs/dbraw/zinc/01/38/03/782013803.db2.gz OHPBHYQAGFUBRA-SOLBZPMBSA-N 1 1 345.447 0.831 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC001041703772 782021500 /nfs/dbraw/zinc/02/15/00/782021500.db2.gz IOQQTMSKQGVGLZ-CRAIPNDOSA-N 1 1 342.447 0.573 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)C1 ZINC000329231388 287346848 /nfs/dbraw/zinc/34/68/48/287346848.db2.gz FFESOUVVEYJMNS-WBMJQRKESA-N 1 1 337.424 0.463 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccn([C@H](C)COC)n1 ZINC000491806006 421165483 /nfs/dbraw/zinc/16/54/83/421165483.db2.gz PPOQDGJXYPLYLG-CYBMUJFWSA-N 1 1 335.408 0.100 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@H](O)CCOC(C)C)CC2)c1C#N ZINC000349893028 269927601 /nfs/dbraw/zinc/92/76/01/269927601.db2.gz MZLLBPLRJQBDDD-OAHLLOKOSA-N 1 1 335.452 0.898 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000270904737 263284089 /nfs/dbraw/zinc/28/40/89/263284089.db2.gz NCNIIHKFFDUBQH-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000270904737 263284090 /nfs/dbraw/zinc/28/40/90/263284090.db2.gz NCNIIHKFFDUBQH-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000284849372 264245899 /nfs/dbraw/zinc/24/58/99/264245899.db2.gz CDKKGIRLKPTEDE-CABCVRRESA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000284849372 264245902 /nfs/dbraw/zinc/24/59/02/264245902.db2.gz CDKKGIRLKPTEDE-CABCVRRESA-N 1 1 335.429 0.960 20 30 ECEDMO CNS(=O)(=O)CCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000336875066 270005959 /nfs/dbraw/zinc/00/59/59/270005959.db2.gz ZZUXTKWLVGYOGM-UHFFFAOYSA-N 1 1 336.461 0.615 20 30 ECEDMO CNS(=O)(=O)CCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000336875066 270005960 /nfs/dbraw/zinc/00/59/60/270005960.db2.gz ZZUXTKWLVGYOGM-UHFFFAOYSA-N 1 1 336.461 0.615 20 30 ECEDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352036529 267110075 /nfs/dbraw/zinc/11/00/75/267110075.db2.gz HIRQXDUVQPJMHM-XYPHTWIQSA-N 1 1 328.416 0.880 20 30 ECEDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352036529 267110077 /nfs/dbraw/zinc/11/00/77/267110077.db2.gz HIRQXDUVQPJMHM-XYPHTWIQSA-N 1 1 328.416 0.880 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(C#N)o2)CCCO1 ZINC000287454093 267232464 /nfs/dbraw/zinc/23/24/64/267232464.db2.gz REQZZYUOVGFILY-LBPRGKRZSA-N 1 1 327.406 0.930 20 30 ECEDMO C[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@@H]1CCN2CCO[C@H]1C2 ZINC000528514101 267308030 /nfs/dbraw/zinc/30/80/30/267308030.db2.gz DXUOPWMGJSPVKB-JZXOWHBKSA-N 1 1 331.416 0.703 20 30 ECEDMO N#Cc1ccc(CNC(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000378395005 268068763 /nfs/dbraw/zinc/06/87/63/268068763.db2.gz LDKHGVYNKOCKKL-QGZVFWFLSA-N 1 1 328.416 0.581 20 30 ECEDMO N#Cc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000355449327 268071233 /nfs/dbraw/zinc/07/12/33/268071233.db2.gz QHABXCVWXBAAGL-INIZCTEOSA-N 1 1 343.431 0.945 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)COC3CCOCC3)C2)nc1 ZINC000292041047 268181617 /nfs/dbraw/zinc/18/16/17/268181617.db2.gz ALICRUJGLVWGCQ-NVXWUHKLSA-N 1 1 347.415 0.963 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCCOC(=O)NC(N)=O)C2)nc1 ZINC000292254607 268185391 /nfs/dbraw/zinc/18/53/91/268185391.db2.gz RCFAWRWTMAMDTR-LBPRGKRZSA-N 1 1 333.348 0.601 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC001041719738 782050114 /nfs/dbraw/zinc/05/01/14/782050114.db2.gz HRXDOQDLIQFLON-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC001041719738 782050128 /nfs/dbraw/zinc/05/01/28/782050128.db2.gz HRXDOQDLIQFLON-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC001041719930 782050394 /nfs/dbraw/zinc/05/03/94/782050394.db2.gz JOSOOQDAZIZJSM-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041720094 782050965 /nfs/dbraw/zinc/05/09/65/782050965.db2.gz KQURCNZSUCHCFN-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041720094 782050974 /nfs/dbraw/zinc/05/09/74/782050974.db2.gz KQURCNZSUCHCFN-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000330745655 437605882 /nfs/dbraw/zinc/60/58/82/437605882.db2.gz RQQGGAJAOAISQP-UONOGXRCSA-N 1 1 336.436 0.926 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)CCSC1 ZINC000329779766 289398576 /nfs/dbraw/zinc/39/85/76/289398576.db2.gz RGTLEMOGWIMRKX-AWEZNQCLSA-N 1 1 349.522 0.847 20 30 ECEDMO C[NH+]1CCN([C@H](C(=O)N2CCO[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000106291828 290055215 /nfs/dbraw/zinc/05/52/15/290055215.db2.gz SEPOHOPBOQCMMJ-IRXDYDNUSA-N 1 1 328.416 0.726 20 30 ECEDMO N#CCN1CCC(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000074135060 436108193 /nfs/dbraw/zinc/10/81/93/436108193.db2.gz GIQNIGRSEPSKNL-KRWDZBQOSA-N 1 1 349.479 0.871 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000074290974 436119325 /nfs/dbraw/zinc/11/93/25/436119325.db2.gz BMFDCAKGGNGTJK-UHFFFAOYSA-N 1 1 341.419 0.645 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000074290974 436119333 /nfs/dbraw/zinc/11/93/33/436119333.db2.gz BMFDCAKGGNGTJK-UHFFFAOYSA-N 1 1 341.419 0.645 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000076306665 436199616 /nfs/dbraw/zinc/19/96/16/436199616.db2.gz MBCSINFTKBNRGM-LBPRGKRZSA-N 1 1 333.363 0.844 20 30 ECEDMO N#CCCN(CCN1CCOCC1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080611336 436325657 /nfs/dbraw/zinc/32/56/57/436325657.db2.gz LTPSSEZQDSQRLI-IRXDYDNUSA-N 1 1 334.464 0.935 20 30 ECEDMO COC[C@@](C)(O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000086532853 436394291 /nfs/dbraw/zinc/39/42/91/436394291.db2.gz AJFYNQLRCQWEJT-GOSISDBHSA-N 1 1 331.416 0.990 20 30 ECEDMO COC[C@@](C)(O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000086532853 436394295 /nfs/dbraw/zinc/39/42/95/436394295.db2.gz AJFYNQLRCQWEJT-GOSISDBHSA-N 1 1 331.416 0.990 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)N(C)CCCC)CC1 ZINC000052185913 436504054 /nfs/dbraw/zinc/50/40/54/436504054.db2.gz NJAHMVSRQBWGTB-UHFFFAOYSA-N 1 1 338.452 0.969 20 30 ECEDMO COc1ccc(CCNC(=[NH2+])NC[C@H](C)N2CCN(C)CC2)cc1 ZINC000103338607 436554249 /nfs/dbraw/zinc/55/42/49/436554249.db2.gz HCSKFSYOILTROP-HNNXBMFYSA-N 1 1 333.480 0.778 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)nc1 ZINC000112362243 436633311 /nfs/dbraw/zinc/63/33/11/436633311.db2.gz UAAZDMVVTJBCIR-UHFFFAOYSA-N 1 1 325.438 0.067 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2OC)C1 ZINC000546003541 302242604 /nfs/dbraw/zinc/24/26/04/302242604.db2.gz SCWWEOSTHZJVGT-CYBMUJFWSA-N 1 1 346.387 0.342 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000550947651 302351628 /nfs/dbraw/zinc/35/16/28/302351628.db2.gz HPVYFHCUNQFTLC-UHFFFAOYSA-N 1 1 329.404 0.544 20 30 ECEDMO C#CCNC(=O)CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066534258 436688492 /nfs/dbraw/zinc/68/84/92/436688492.db2.gz RSCFXYYZORCRLX-UHFFFAOYSA-N 1 1 328.460 0.485 20 30 ECEDMO CC(C)[N@@H+](C)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000119826018 436673409 /nfs/dbraw/zinc/67/34/09/436673409.db2.gz UZLRECHZCLBYJS-AWEZNQCLSA-N 1 1 345.451 0.909 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000067863743 436726967 /nfs/dbraw/zinc/72/69/67/436726967.db2.gz YEXWSTUQHRJIMN-AWEZNQCLSA-N 1 1 347.440 0.565 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000122134006 436731675 /nfs/dbraw/zinc/73/16/75/436731675.db2.gz QJVKUSZFBCJYJH-ZDUSSCGKSA-N 1 1 325.438 0.765 20 30 ECEDMO CCS(=O)(=O)NCC[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000068813871 436755496 /nfs/dbraw/zinc/75/54/96/436755496.db2.gz NPIUFGFIAJUUCR-UHFFFAOYSA-N 1 1 337.449 0.405 20 30 ECEDMO CCS(=O)(=O)NCC[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000068813871 436755499 /nfs/dbraw/zinc/75/54/99/436755499.db2.gz NPIUFGFIAJUUCR-UHFFFAOYSA-N 1 1 337.449 0.405 20 30 ECEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000156709561 436819442 /nfs/dbraw/zinc/81/94/42/436819442.db2.gz PCWFSGJCKCWSMR-INIZCTEOSA-N 1 1 337.445 0.947 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000246085776 436772254 /nfs/dbraw/zinc/77/22/54/436772254.db2.gz NFXZXVIIOTXIRC-ROUUACIJSA-N 1 1 349.523 0.952 20 30 ECEDMO N#Cc1cccnc1N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000247657114 436796326 /nfs/dbraw/zinc/79/63/26/436796326.db2.gz PVFKCGDRAOKJRP-DLBZAZTESA-N 1 1 346.431 0.632 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131246832 436849838 /nfs/dbraw/zinc/84/98/38/436849838.db2.gz MMWBZFZMDWMXBP-NVXWUHKLSA-N 1 1 348.491 0.990 20 30 ECEDMO COCCCNC(=O)C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000159467200 436858605 /nfs/dbraw/zinc/85/86/05/436858605.db2.gz KLMTVEJECJORLY-UHFFFAOYSA-N 1 1 332.404 0.971 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)NCCC[N@H+](C)CC#C)c1 ZINC000293390310 436873470 /nfs/dbraw/zinc/87/34/70/436873470.db2.gz NQAQFQZGBLYHNB-UHFFFAOYSA-N 1 1 327.384 0.708 20 30 ECEDMO C#CCn1ccc(CN(CC)[C@H](C)C(=O)N2CC[NH+](CC)CC2)n1 ZINC000279660128 436829517 /nfs/dbraw/zinc/82/95/17/436829517.db2.gz CTEUSGQJQIQQSU-MRXNPFEDSA-N 1 1 331.464 0.891 20 30 ECEDMO C#CC[N@@H+](C)CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000292887219 436835051 /nfs/dbraw/zinc/83/50/51/436835051.db2.gz VKEKYOYCOWKOJF-UHFFFAOYSA-N 1 1 326.378 0.609 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292923450 436837153 /nfs/dbraw/zinc/83/71/53/436837153.db2.gz IKELAANJSJWGTH-ZBFHGGJFSA-N 1 1 333.436 0.996 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000293887529 436917164 /nfs/dbraw/zinc/91/71/64/436917164.db2.gz DDPJAPKXGVQUEO-UHFFFAOYSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000293912616 436918646 /nfs/dbraw/zinc/91/86/46/436918646.db2.gz GCFNXJNWUKJQHC-OKILXGFUSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000293912616 436918652 /nfs/dbraw/zinc/91/86/52/436918652.db2.gz GCFNXJNWUKJQHC-OKILXGFUSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000293941292 436921016 /nfs/dbraw/zinc/92/10/16/436921016.db2.gz JAUZPLVVPWVWJJ-UHFFFAOYSA-N 1 1 342.399 0.151 20 30 ECEDMO CO/N=C/c1ccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000172199534 437003102 /nfs/dbraw/zinc/00/31/02/437003102.db2.gz HDQCQZRDILMEEB-CPNJWEJPSA-N 1 1 332.404 0.561 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000297065086 437003183 /nfs/dbraw/zinc/00/31/83/437003183.db2.gz YJKGUMCOTRPFFE-UHFFFAOYSA-N 1 1 343.431 0.504 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCCNC(=O)c1occc1C ZINC000297083853 437004751 /nfs/dbraw/zinc/00/47/51/437004751.db2.gz ZNUKOCSYIMRWHU-UHFFFAOYSA-N 1 1 334.420 0.962 20 30 ECEDMO N#CC1(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000172243765 437005616 /nfs/dbraw/zinc/00/56/16/437005616.db2.gz HJQQZROZOXAHEA-UHFFFAOYSA-N 1 1 342.443 0.993 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000299291412 437066881 /nfs/dbraw/zinc/06/68/81/437066881.db2.gz AFHBLKSFECKSBH-UHFFFAOYSA-N 1 1 334.420 0.265 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000299708993 437104842 /nfs/dbraw/zinc/10/48/42/437104842.db2.gz OQCBCMSTIHYQGV-UHFFFAOYSA-N 1 1 341.458 0.194 20 30 ECEDMO C#CCNc1nc(N[C@@H](CO)CC=C)[nH+]c(N[C@@H](CO)CC=C)n1 ZINC000287033492 437154738 /nfs/dbraw/zinc/15/47/38/437154738.db2.gz WFGQYJFCPJSMEM-CHWSQXEVSA-N 1 1 332.408 0.615 20 30 ECEDMO C#CCNc1nc(N[C@@H](CO)CC=C)nc(N[C@@H](CO)CC=C)[nH+]1 ZINC000287033492 437154743 /nfs/dbraw/zinc/15/47/43/437154743.db2.gz WFGQYJFCPJSMEM-CHWSQXEVSA-N 1 1 332.408 0.615 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000331816330 437163674 /nfs/dbraw/zinc/16/36/74/437163674.db2.gz GJJVMZDVXGYJGX-RBSFLKMASA-N 1 1 333.436 0.627 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCn2cnc(C#N)n2)C1 ZINC000287122616 437164606 /nfs/dbraw/zinc/16/46/06/437164606.db2.gz ZFUHPEQXOKVXDU-CQSZACIVSA-N 1 1 333.440 0.817 20 30 ECEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000176011057 437128205 /nfs/dbraw/zinc/12/82/05/437128205.db2.gz NDRQGXYUFUZLKE-AWEZNQCLSA-N 1 1 348.378 0.551 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+](CCO)C2CC2)CC1 ZINC000305784168 437164665 /nfs/dbraw/zinc/16/46/65/437164665.db2.gz WQOHEZUEHZYGHD-OAHLLOKOSA-N 1 1 348.472 0.914 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+](CCO)C2CC2)CC1 ZINC000305784168 437164671 /nfs/dbraw/zinc/16/46/71/437164671.db2.gz WQOHEZUEHZYGHD-OAHLLOKOSA-N 1 1 348.472 0.914 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COCCOC(C)C ZINC000265881662 437205387 /nfs/dbraw/zinc/20/53/87/437205387.db2.gz YLVPHUDLECQUAB-UONOGXRCSA-N 1 1 345.440 0.121 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H](O)[C@H]3C)CC2)o1 ZINC000332314438 437212970 /nfs/dbraw/zinc/21/29/70/437212970.db2.gz OTHXWLXQGMRQQD-DOMZBBRYSA-N 1 1 347.419 0.349 20 30 ECEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ncnn1C(C)(C)C ZINC000328829670 437268145 /nfs/dbraw/zinc/26/81/45/437268145.db2.gz QXJNNIPSFKAECG-ZDUSSCGKSA-N 1 1 337.472 0.673 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266187984 437222510 /nfs/dbraw/zinc/22/25/10/437222510.db2.gz MQXMSOGQESZAPF-VXGBXAGGSA-N 1 1 332.408 0.449 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266187984 437222512 /nfs/dbraw/zinc/22/25/12/437222512.db2.gz MQXMSOGQESZAPF-VXGBXAGGSA-N 1 1 332.408 0.449 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000326791084 437234613 /nfs/dbraw/zinc/23/46/13/437234613.db2.gz XDWJYMIHSXJKRQ-INIZCTEOSA-N 1 1 339.399 0.910 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCCNS(=O)(=O)CC)c1 ZINC000178897233 437237602 /nfs/dbraw/zinc/23/76/02/437237602.db2.gz PZRQLMCRSDCFFM-UHFFFAOYSA-N 1 1 337.445 0.868 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCCNS(=O)(=O)CC)c1 ZINC000178897233 437237606 /nfs/dbraw/zinc/23/76/06/437237606.db2.gz PZRQLMCRSDCFFM-UHFFFAOYSA-N 1 1 337.445 0.868 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277727197 437247844 /nfs/dbraw/zinc/24/78/44/437247844.db2.gz JPBLOPBCSZGZPA-KBMXLJTQSA-N 1 1 333.436 0.436 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000329018836 437303902 /nfs/dbraw/zinc/30/39/02/437303902.db2.gz HFBJEZKZBACAIX-GJZGRUSLSA-N 1 1 339.484 0.479 20 30 ECEDMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336918707 437311297 /nfs/dbraw/zinc/31/12/97/437311297.db2.gz OSGWSCWWYFZRCR-GJZGRUSLSA-N 1 1 344.481 0.700 20 30 ECEDMO C[NH+](C)[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccsc1 ZINC000336923299 437312685 /nfs/dbraw/zinc/31/26/85/437312685.db2.gz SFTZJOFUJMBCOQ-CHWSQXEVSA-N 1 1 344.462 0.410 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000336947336 437316566 /nfs/dbraw/zinc/31/65/66/437316566.db2.gz PDCIETUYLWKVRF-RYUDHWBXSA-N 1 1 325.394 0.058 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2CS(N)(=O)=O)C[N@H+]1C1CC1 ZINC000328837519 437270834 /nfs/dbraw/zinc/27/08/34/437270834.db2.gz SYPIENNNTBZNFU-MDZLAQPJSA-N 1 1 330.454 0.279 20 30 ECEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000328856971 437273334 /nfs/dbraw/zinc/27/33/34/437273334.db2.gz UKVCWMLDFMBIND-ILXRZTDVSA-N 1 1 327.450 0.805 20 30 ECEDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000328893186 437281029 /nfs/dbraw/zinc/28/10/29/437281029.db2.gz ABQHSIGFNQNICX-IJEWVQPXSA-N 1 1 337.424 0.629 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000288257060 437300989 /nfs/dbraw/zinc/30/09/89/437300989.db2.gz YDPIXVPBHYPQFT-MRXNPFEDSA-N 1 1 331.416 0.514 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000329244343 437341198 /nfs/dbraw/zinc/34/11/98/437341198.db2.gz UKELCIRKTAJDDJ-NVXWUHKLSA-N 1 1 341.452 0.893 20 30 ECEDMO Cc1nnc2n1C[C@@H](C[NH+]=C([O-])N1CC[NH+](C[C@H](C)O)CC1)CC2 ZINC000329301774 437350221 /nfs/dbraw/zinc/35/02/21/437350221.db2.gz WLLWPKLYLCGTSZ-GXTWGEPZSA-N 1 1 336.440 0.061 20 30 ECEDMO Cc1nnc2n1C[C@@H](CNC(=O)N1CC[NH+](C[C@H](C)O)CC1)CC2 ZINC000329301774 437350232 /nfs/dbraw/zinc/35/02/32/437350232.db2.gz WLLWPKLYLCGTSZ-GXTWGEPZSA-N 1 1 336.440 0.061 20 30 ECEDMO C[C@@H](C#N)CNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000182853612 437364093 /nfs/dbraw/zinc/36/40/93/437364093.db2.gz OQKVSEQEFJQOKB-AWEZNQCLSA-N 1 1 335.452 0.732 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2COC[C@H]2O)C[C@H](C)O1 ZINC000329491627 437375253 /nfs/dbraw/zinc/37/52/53/437375253.db2.gz VPQKAWPRHRLAPE-XJFOESAGSA-N 1 1 329.441 0.480 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2COC[C@H]2O)C[C@H](C)O1 ZINC000329491627 437375254 /nfs/dbraw/zinc/37/52/54/437375254.db2.gz VPQKAWPRHRLAPE-XJFOESAGSA-N 1 1 329.441 0.480 20 30 ECEDMO C[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000329506515 437375531 /nfs/dbraw/zinc/37/55/31/437375531.db2.gz LNUUQIDFTLXEGB-JSGCOSHPSA-N 1 1 344.481 0.564 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000337057847 437323871 /nfs/dbraw/zinc/32/38/71/437323871.db2.gz DNAZDAXFBGVAEV-JSGCOSHPSA-N 1 1 328.438 0.062 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329148304 437327353 /nfs/dbraw/zinc/32/73/53/437327353.db2.gz YGONBIJKXSBNON-PBHICJAKSA-N 1 1 338.452 0.444 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000337099750 437332317 /nfs/dbraw/zinc/33/23/17/437332317.db2.gz UTGWCXDOAUELHE-AWEZNQCLSA-N 1 1 330.454 0.262 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000288605938 437337252 /nfs/dbraw/zinc/33/72/52/437337252.db2.gz KECSUIFKQFRQEW-UHFFFAOYSA-N 1 1 342.440 0.859 20 30 ECEDMO CN(CCCNS(=O)(=O)c1ccc(F)c(C#N)c1)CC[NH+](C)C ZINC000288605938 437337255 /nfs/dbraw/zinc/33/72/55/437337255.db2.gz KECSUIFKQFRQEW-UHFFFAOYSA-N 1 1 342.440 0.859 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@@]3(CCCOC3)C2)C1 ZINC000329225865 437337569 /nfs/dbraw/zinc/33/75/69/437337569.db2.gz GWPKBAGCBPWIOF-HOCLYGCPSA-N 1 1 327.425 0.503 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000337170272 437338075 /nfs/dbraw/zinc/33/80/75/437338075.db2.gz DZSZFFSPTGJHKB-ZIAGYGMSSA-N 1 1 332.470 0.101 20 30 ECEDMO Cn1ccnc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[N@H+]3C)C2)c1=O ZINC000329236199 437339104 /nfs/dbraw/zinc/33/91/04/437339104.db2.gz OBWFNZBGWBQWIQ-UONOGXRCSA-N 1 1 348.451 0.347 20 30 ECEDMO CCn1c(N)c(C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c(=O)[nH]c1=O ZINC000338360251 437405307 /nfs/dbraw/zinc/40/53/07/437405307.db2.gz PUPCHFKKELWRAJ-SNVBAGLBSA-N 1 1 341.371 0.956 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000329918748 437431537 /nfs/dbraw/zinc/43/15/37/437431537.db2.gz ZZTHOLIZWIWHBE-UHFFFAOYSA-N 1 1 339.396 0.278 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCCS(=O)(=O)C3)CC[C@H]21 ZINC000329798852 437414058 /nfs/dbraw/zinc/41/40/58/437414058.db2.gz XPSLGBGHNWMTHU-MGPQQGTHSA-N 1 1 329.466 0.894 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000329829218 437419549 /nfs/dbraw/zinc/41/95/49/437419549.db2.gz DNZVZHALJMMTMG-SCUASFONSA-N 1 1 345.465 0.475 20 30 ECEDMO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000329842362 437420931 /nfs/dbraw/zinc/42/09/31/437420931.db2.gz KHLLQGYFOJNRGR-RRFJBIMHSA-N 1 1 327.425 0.281 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCO[C@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000329893944 437427409 /nfs/dbraw/zinc/42/74/09/437427409.db2.gz JUDLPXBPGCAVTI-DOTOQJQBSA-N 1 1 341.452 0.749 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCO[C@@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000329893945 437427713 /nfs/dbraw/zinc/42/77/13/437427713.db2.gz JUDLPXBPGCAVTI-RDJZCZTQSA-N 1 1 341.452 0.749 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337785435 437379134 /nfs/dbraw/zinc/37/91/34/437379134.db2.gz WUUFCLAHFPXREP-GJZGRUSLSA-N 1 1 344.481 0.509 20 30 ECEDMO CCSc1nnc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)s1 ZINC000329546642 437380892 /nfs/dbraw/zinc/38/08/92/437380892.db2.gz BXZTXIVBULNGGT-VIFPVBQESA-N 1 1 330.483 1.222 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000329561266 437383080 /nfs/dbraw/zinc/38/30/80/437383080.db2.gz MPTIMDRUKGLLFX-CFVMTHIKSA-N 1 1 338.452 0.156 20 30 ECEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000329665038 437398237 /nfs/dbraw/zinc/39/82/37/437398237.db2.gz PUDOMBWSLDCGRK-NSHDSACASA-N 1 1 325.413 0.750 20 30 ECEDMO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3ccccc3C#N)CC2)C1 ZINC000338237063 437401438 /nfs/dbraw/zinc/40/14/38/437401438.db2.gz YAYUPRPDRCURNM-HNNXBMFYSA-N 1 1 348.472 0.962 20 30 ECEDMO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)C2)C1 ZINC000330207130 437469669 /nfs/dbraw/zinc/46/96/69/437469669.db2.gz FSSIWLBVCHKQRN-HIFRSBDPSA-N 1 1 344.481 0.210 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186530463 437475903 /nfs/dbraw/zinc/47/59/03/437475903.db2.gz PBJGLDDXEYQLNV-KCXAZCMYSA-N 1 1 335.379 0.888 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186530463 437475906 /nfs/dbraw/zinc/47/59/06/437475906.db2.gz PBJGLDDXEYQLNV-KCXAZCMYSA-N 1 1 335.379 0.888 20 30 ECEDMO CC(=O)N1CC(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000329939121 437434565 /nfs/dbraw/zinc/43/45/65/437434565.db2.gz FNGULRQCDYBXQY-UHFFFAOYSA-N 1 1 330.432 0.991 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000329995418 437443523 /nfs/dbraw/zinc/44/35/23/437443523.db2.gz NDFNQBJIKVBGPH-UXLLHSPISA-N 1 1 341.452 0.891 20 30 ECEDMO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCOCCC#N)C[C@H]1O ZINC000339152912 437444984 /nfs/dbraw/zinc/44/49/84/437444984.db2.gz HPAXVBBGLZNGAB-UONOGXRCSA-N 1 1 327.425 0.235 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000330048300 437448949 /nfs/dbraw/zinc/44/89/49/437448949.db2.gz IJXNXTPEPLKZJL-CYBMUJFWSA-N 1 1 326.466 0.646 20 30 ECEDMO CN1CCN(C)[C@H](CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000330165829 437463601 /nfs/dbraw/zinc/46/36/01/437463601.db2.gz UVNDLHXNGPPREZ-HIFRSBDPSA-N 1 1 329.514 0.173 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339416496 437465131 /nfs/dbraw/zinc/46/51/31/437465131.db2.gz GHPDAUMJZPDNOM-FRFSOERESA-N 1 1 348.451 0.850 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339416496 437465134 /nfs/dbraw/zinc/46/51/34/437465134.db2.gz GHPDAUMJZPDNOM-FRFSOERESA-N 1 1 348.451 0.850 20 30 ECEDMO CN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330187113 437465874 /nfs/dbraw/zinc/46/58/74/437465874.db2.gz SSXUQWHCRVSAPJ-GXTWGEPZSA-N 1 1 344.481 0.350 20 30 ECEDMO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)N(CCC#N)CCOC)C[C@@H]1C ZINC000330375512 437494783 /nfs/dbraw/zinc/49/47/83/437494783.db2.gz NWTDAMUZVQKUMG-KBPBESRZSA-N 1 1 332.470 0.508 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(S(=O)(=O)N(CCC#N)CCOC)C[C@@H]1C ZINC000330375512 437494789 /nfs/dbraw/zinc/49/47/89/437494789.db2.gz NWTDAMUZVQKUMG-KBPBESRZSA-N 1 1 332.470 0.508 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(NS(=O)(=O)CCC)CC2)C1=O ZINC000330380751 437495507 /nfs/dbraw/zinc/49/55/07/437495507.db2.gz HQNRUQBXLAWXQK-AWEZNQCLSA-N 1 1 329.466 0.567 20 30 ECEDMO C[N@@H+](CCNC(=O)C(=O)N1CCC(C#N)CC1)Cc1ccccc1 ZINC000343083590 437497982 /nfs/dbraw/zinc/49/79/82/437497982.db2.gz ZKENXJVQNAYORQ-UHFFFAOYSA-N 1 1 328.416 0.997 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@@H](C)[C@](C)(C(=O)OC)C2)C1 ZINC000330410743 437504671 /nfs/dbraw/zinc/50/46/71/437504671.db2.gz KZAXSMKNOUKPSM-DVOMOZLQSA-N 1 1 327.425 0.752 20 30 ECEDMO COCC1(O)CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000330494478 437529325 /nfs/dbraw/zinc/52/93/25/437529325.db2.gz UZXALKHQQDHLNY-VIFPVBQESA-N 1 1 341.330 0.441 20 30 ECEDMO C=CCCC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000340081932 437565589 /nfs/dbraw/zinc/56/55/89/437565589.db2.gz WHFIAPILFNADAR-OAHLLOKOSA-N 1 1 338.496 0.990 20 30 ECEDMO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000330660527 437580600 /nfs/dbraw/zinc/58/06/00/437580600.db2.gz YMXXGHOLPUPQAR-QLFBSQMISA-N 1 1 340.468 0.858 20 30 ECEDMO CNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000330687969 437588625 /nfs/dbraw/zinc/58/86/25/437588625.db2.gz CPMBJBFGKZUUBB-ZDUSSCGKSA-N 1 1 340.449 0.145 20 30 ECEDMO CCN(CC)S(=O)(=O)CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000330862420 437635878 /nfs/dbraw/zinc/63/58/78/437635878.db2.gz VSNJWUARDLEIPQ-CYBMUJFWSA-N 1 1 332.470 0.352 20 30 ECEDMO CCN(C)C(=O)[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000331023409 437672659 /nfs/dbraw/zinc/67/26/59/437672659.db2.gz RCMPTGVTUBYDGT-STQMWFEESA-N 1 1 328.457 0.544 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000191072230 437646078 /nfs/dbraw/zinc/64/60/78/437646078.db2.gz ZNIUKYJGNWXUCZ-CVEARBPZSA-N 1 1 342.399 0.106 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000191072230 437646084 /nfs/dbraw/zinc/64/60/84/437646084.db2.gz ZNIUKYJGNWXUCZ-CVEARBPZSA-N 1 1 342.399 0.106 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000360926022 437652238 /nfs/dbraw/zinc/65/22/38/437652238.db2.gz YRHVWQYMVOSYCV-HNNXBMFYSA-N 1 1 341.452 0.265 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000361321852 437659237 /nfs/dbraw/zinc/65/92/37/437659237.db2.gz UWDQQGDDBXWKNB-KBPBESRZSA-N 1 1 346.362 0.615 20 30 ECEDMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000331129428 437693919 /nfs/dbraw/zinc/69/39/19/437693919.db2.gz IWCKLQVAUQWGLK-AWEZNQCLSA-N 1 1 338.433 0.651 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000331129428 437693924 /nfs/dbraw/zinc/69/39/24/437693924.db2.gz IWCKLQVAUQWGLK-AWEZNQCLSA-N 1 1 338.433 0.651 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000331222516 437720674 /nfs/dbraw/zinc/72/06/74/437720674.db2.gz BRFPWLGPTXENKE-CJNGLKHVSA-N 1 1 338.452 0.682 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@@H](CO)C3)CC2)o1 ZINC000362071785 437713448 /nfs/dbraw/zinc/71/34/48/437713448.db2.gz ZPRFOGOFFFBGTO-GXTWGEPZSA-N 1 1 347.419 0.064 20 30 ECEDMO CNC(=O)NC(=O)CCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000331211869 437717577 /nfs/dbraw/zinc/71/75/77/437717577.db2.gz ZGAWAQWGUCMVJL-UHFFFAOYSA-N 1 1 339.484 0.527 20 30 ECEDMO N#CC1(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)CCCCC1 ZINC000340724876 437717858 /nfs/dbraw/zinc/71/78/58/437717858.db2.gz GTWGWSJRUGISDR-UHFFFAOYSA-N 1 1 333.392 0.003 20 30 ECEDMO CCN(C)C(=O)[C@@H](C)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000331213282 437718020 /nfs/dbraw/zinc/71/80/20/437718020.db2.gz LLTBPZSKPOKOBQ-CYBMUJFWSA-N 1 1 328.457 0.810 20 30 ECEDMO CCN(C)C(=O)[C@@H](C)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000331213282 437718022 /nfs/dbraw/zinc/71/80/22/437718022.db2.gz LLTBPZSKPOKOBQ-CYBMUJFWSA-N 1 1 328.457 0.810 20 30 ECEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000344863786 437765823 /nfs/dbraw/zinc/76/58/23/437765823.db2.gz WMMUGAFQOFFBLW-CYBMUJFWSA-N 1 1 348.451 1.511 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC(CN3CCOCC3)CC2)CC1 ZINC000363031187 437766317 /nfs/dbraw/zinc/76/63/17/437766317.db2.gz BBUBWPVZXRFCKW-UHFFFAOYSA-N 1 1 333.476 0.902 20 30 ECEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@H](O)CN1CCOCC1 ZINC000344062499 437726823 /nfs/dbraw/zinc/72/68/23/437726823.db2.gz CCJPDGCRZBTWLK-SFHVURJKSA-N 1 1 333.432 0.700 20 30 ECEDMO COC(=O)C(C)(C)CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000331271841 437730783 /nfs/dbraw/zinc/73/07/83/437730783.db2.gz GRCNFWQOQNGOMU-GFCCVEGCSA-N 1 1 329.441 0.877 20 30 ECEDMO CNc1nc(NCC2(CC#N)CC2)[nH+]c(NCC2(CC#N)CC2)n1 ZINC000362360378 437732644 /nfs/dbraw/zinc/73/26/44/437732644.db2.gz TWGUZCDWWPFPMV-UHFFFAOYSA-N 1 1 326.408 0.391 20 30 ECEDMO COC[C@@H]1CN(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000331277332 437732656 /nfs/dbraw/zinc/73/26/56/437732656.db2.gz YLIFZLTZRBJIFC-PMPSAXMXSA-N 1 1 342.484 0.662 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCCc2cccc(C#N)c2)CC1 ZINC000344267689 437750898 /nfs/dbraw/zinc/75/08/98/437750898.db2.gz XFTDNANWPZEQFE-UHFFFAOYSA-N 1 1 343.431 0.564 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@@H](O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000362752466 437753167 /nfs/dbraw/zinc/75/31/67/437753167.db2.gz GUELFEOOBUYFCD-CYBMUJFWSA-N 1 1 327.812 0.582 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1Cn1nc(C)nc1C ZINC000364629364 437819190 /nfs/dbraw/zinc/81/91/90/437819190.db2.gz GSTQTLHSIMNAQI-AWEZNQCLSA-N 1 1 334.424 0.761 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1Cn1nc(C)nc1C ZINC000364629364 437819196 /nfs/dbraw/zinc/81/91/96/437819196.db2.gz GSTQTLHSIMNAQI-AWEZNQCLSA-N 1 1 334.424 0.761 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000346211342 437807152 /nfs/dbraw/zinc/80/71/52/437807152.db2.gz SYKBLRKPXRMPAP-KQTLUZQSSA-N 1 1 335.448 0.825 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1 ZINC000364986321 437839947 /nfs/dbraw/zinc/83/99/47/437839947.db2.gz RARAACSEWWSHMR-CQSZACIVSA-N 1 1 329.400 0.522 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000415782298 437858136 /nfs/dbraw/zinc/85/81/36/437858136.db2.gz LYKYECCVZUXPIV-INIZCTEOSA-N 1 1 334.351 0.665 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000371321030 437916985 /nfs/dbraw/zinc/91/69/85/437916985.db2.gz MMWBZFZMDWMXBP-RDJZCZTQSA-N 1 1 348.491 0.990 20 30 ECEDMO C=CCn1cc(CNCc2cnc(N3CC[NH+](C)CC3)nc2)nn1 ZINC000424172433 437898695 /nfs/dbraw/zinc/89/86/95/437898695.db2.gz NXUIXMDJSKYTAQ-UHFFFAOYSA-N 1 1 328.424 0.296 20 30 ECEDMO CNC(=O)CCOC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000347524297 437901100 /nfs/dbraw/zinc/90/11/00/437901100.db2.gz QFCPQJYQYJPLED-UHFFFAOYSA-N 1 1 349.435 0.259 20 30 ECEDMO C=CCC(C)(C)C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425326617 438020688 /nfs/dbraw/zinc/02/06/88/438020688.db2.gz YMFADKSGYOSACE-AWEZNQCLSA-N 1 1 325.453 0.884 20 30 ECEDMO CNc1nc(N[C@@H]2CC[C@H](C#N)C2)[nH+]c(N[C@@H]2CC[C@H](C#N)C2)n1 ZINC000425268951 438021357 /nfs/dbraw/zinc/02/13/57/438021357.db2.gz AQKJDGCJPIBGRM-WUHRBBMRSA-N 1 1 326.408 0.387 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000425858911 438045182 /nfs/dbraw/zinc/04/51/82/438045182.db2.gz DLKCRMQEWAFKRB-IHRRRGAJSA-N 1 1 335.404 0.706 20 30 ECEDMO C=CCn1cc(CNC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000425881927 438046422 /nfs/dbraw/zinc/04/64/22/438046422.db2.gz UAWWQCDGXHFYTJ-OKILXGFUSA-N 1 1 336.440 0.715 20 30 ECEDMO C=CCn1cc(CNC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000425881927 438046427 /nfs/dbraw/zinc/04/64/27/438046427.db2.gz UAWWQCDGXHFYTJ-OKILXGFUSA-N 1 1 336.440 0.715 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000425885716 438046705 /nfs/dbraw/zinc/04/67/05/438046705.db2.gz PQQYKUTVMZSBSV-PMPSAXMXSA-N 1 1 337.464 0.930 20 30 ECEDMO C=CCOCCC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000348033852 438007777 /nfs/dbraw/zinc/00/77/77/438007777.db2.gz NBAOADDSDXCJMT-OAHLLOKOSA-N 1 1 332.466 0.706 20 30 ECEDMO CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372370356 438078566 /nfs/dbraw/zinc/07/85/66/438078566.db2.gz QPVXEBFTSKRWAP-PKOBYXMFSA-N 1 1 347.507 0.895 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000430414737 438113026 /nfs/dbraw/zinc/11/30/26/438113026.db2.gz NVNYFUXKEIXOSE-GJZGRUSLSA-N 1 1 325.453 0.930 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCCO1 ZINC000372977712 438122298 /nfs/dbraw/zinc/12/22/98/438122298.db2.gz FXAQERKFBWLVDI-RDJZCZTQSA-N 1 1 349.479 0.869 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)nn1CCC#N ZINC000373178561 438131379 /nfs/dbraw/zinc/13/13/79/438131379.db2.gz LYXWQJJICNTWMF-UONOGXRCSA-N 1 1 344.419 0.596 20 30 ECEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 ZINC000349299993 438147357 /nfs/dbraw/zinc/14/73/57/438147357.db2.gz JJZFIUWOXPIOHQ-AWEZNQCLSA-N 1 1 346.435 0.844 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC3(CC#N)CC3)CC2)CC1 ZINC000374026862 438182990 /nfs/dbraw/zinc/18/29/90/438182990.db2.gz KXDSSFVTGWPFKJ-UHFFFAOYSA-N 1 1 347.463 0.876 20 30 ECEDMO C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC[N@H+](C)CCCC)C1=O ZINC000358106035 438153065 /nfs/dbraw/zinc/15/30/65/438153065.db2.gz DSQOMQBURZMKES-CQSZACIVSA-N 1 1 338.452 0.080 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000373532564 438158332 /nfs/dbraw/zinc/15/83/32/438158332.db2.gz IRNIUXXKMUZKDI-XIKOKIGWSA-N 1 1 342.399 0.983 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000374460633 438212502 /nfs/dbraw/zinc/21/25/02/438212502.db2.gz GYJANJVFJATXSZ-AWEZNQCLSA-N 1 1 330.454 0.263 20 30 ECEDMO C[NH+]1CCN(C(=O)Cn2cc(NCc3ccc(C#N)o3)cn2)CC1 ZINC000358518996 438244779 /nfs/dbraw/zinc/24/47/79/438244779.db2.gz SDSOTQOMWBTICH-UHFFFAOYSA-N 1 1 328.376 0.734 20 30 ECEDMO N#C[C@@H]1C[N@@H+](CCCC(=O)NC(N)=O)C[C@]12c1ccccc1NC2=O ZINC000374353349 438204766 /nfs/dbraw/zinc/20/47/66/438204766.db2.gz RLPYZDWFCFBOOD-PIGZYNQJSA-N 1 1 341.371 0.307 20 30 ECEDMO N#C[C@@H]1C[N@H+](CCCC(=O)NC(N)=O)C[C@]12c1ccccc1NC2=O ZINC000374353349 438204768 /nfs/dbraw/zinc/20/47/68/438204768.db2.gz RLPYZDWFCFBOOD-PIGZYNQJSA-N 1 1 341.371 0.307 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C[N@H+](CC)CCC)C1=O ZINC000358356548 438207165 /nfs/dbraw/zinc/20/71/65/438207165.db2.gz RNQWPLJSTBXZOP-LBPRGKRZSA-N 1 1 338.408 0.200 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000374455706 438210756 /nfs/dbraw/zinc/21/07/56/438210756.db2.gz CQCKYEPYCDRQOV-UONOGXRCSA-N 1 1 344.481 0.508 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000374455706 438210761 /nfs/dbraw/zinc/21/07/61/438210761.db2.gz CQCKYEPYCDRQOV-UONOGXRCSA-N 1 1 344.481 0.508 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC(=O)NCC#N ZINC000376310942 438277658 /nfs/dbraw/zinc/27/76/58/438277658.db2.gz SJBMGFZDJWOJRG-GOEBONIOSA-N 1 1 343.431 0.836 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC000377975217 438334476 /nfs/dbraw/zinc/33/44/76/438334476.db2.gz FCEPIZGZSVQEDN-AWEZNQCLSA-N 1 1 329.404 0.513 20 30 ECEDMO Cn1cc([C@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000358792087 438302210 /nfs/dbraw/zinc/30/22/10/438302210.db2.gz QPNFIKADXHHRLR-HNNXBMFYSA-N 1 1 334.401 0.389 20 30 ECEDMO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000378140289 438355389 /nfs/dbraw/zinc/35/53/89/438355389.db2.gz LJXMVYPEYNISGC-KRWDZBQOSA-N 1 1 346.435 0.991 20 30 ECEDMO C=CCC[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1=O ZINC000419960806 438380567 /nfs/dbraw/zinc/38/05/67/438380567.db2.gz YGPYREFRSRZLEA-UONOGXRCSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCCN2C(=O)[C@H]2CCCO2)CC1 ZINC000369067805 438419212 /nfs/dbraw/zinc/41/92/12/438419212.db2.gz VKEITIQCVXZMIN-IAGOWNOFSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)CC1 ZINC000369067804 438420479 /nfs/dbraw/zinc/42/04/79/438420479.db2.gz VKEITIQCVXZMIN-DLBZAZTESA-N 1 1 347.459 0.714 20 30 ECEDMO Cc1ccc(NCCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[nH+]c1 ZINC000369217930 438439350 /nfs/dbraw/zinc/43/93/50/438439350.db2.gz DMLXCGMHQIIYCY-INIZCTEOSA-N 1 1 342.447 1.574 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000438206641 438471494 /nfs/dbraw/zinc/47/14/94/438471494.db2.gz JJNIBUJUMSNOTE-KRWDZBQOSA-N 1 1 348.403 0.772 20 30 ECEDMO CC[C@](C)(C#N)C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000352577044 438445628 /nfs/dbraw/zinc/44/56/28/438445628.db2.gz MJBHFYVVBPNXGG-MRXNPFEDSA-N 1 1 332.408 0.535 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000437744505 438454446 /nfs/dbraw/zinc/45/44/46/438454446.db2.gz DFPGEOGTLSXJJP-KFWWJZLASA-N 1 1 338.452 0.607 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)nn1CCC#N ZINC000439590867 438519496 /nfs/dbraw/zinc/51/94/96/438519496.db2.gz ASUROFUWMUFSCM-AWEZNQCLSA-N 1 1 344.419 0.739 20 30 ECEDMO C=CCOCCCC(=O)N1CCN(C[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000369826799 438520641 /nfs/dbraw/zinc/52/06/41/438520641.db2.gz AOQKMUCHWLEQJD-QGZVFWFLSA-N 1 1 339.480 0.834 20 30 ECEDMO C=CCOCCCC(=O)N1CCN(C[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369826799 438520645 /nfs/dbraw/zinc/52/06/45/438520645.db2.gz AOQKMUCHWLEQJD-QGZVFWFLSA-N 1 1 339.480 0.834 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000369951905 438533645 /nfs/dbraw/zinc/53/36/45/438533645.db2.gz MVXDTQGZEATRLS-HNNXBMFYSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000369951905 438533649 /nfs/dbraw/zinc/53/36/49/438533649.db2.gz MVXDTQGZEATRLS-HNNXBMFYSA-N 1 1 329.404 0.369 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000370089889 438550111 /nfs/dbraw/zinc/55/01/11/438550111.db2.gz CVTDUJDCSSISMY-IAGOWNOFSA-N 1 1 349.475 0.980 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H]4C[C@H]3CS4)CC2)o1 ZINC000408466487 438577283 /nfs/dbraw/zinc/57/72/83/438577283.db2.gz LJWLYIKHTMYOQN-STQMWFEESA-N 1 1 347.444 0.693 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H]4C[C@H]3CS4)CC2)o1 ZINC000408466487 438577285 /nfs/dbraw/zinc/57/72/85/438577285.db2.gz LJWLYIKHTMYOQN-STQMWFEESA-N 1 1 347.444 0.693 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)nn1CCC#N ZINC000442301716 438604211 /nfs/dbraw/zinc/60/42/11/438604211.db2.gz INJLEVJQNXXKAH-CHWSQXEVSA-N 1 1 332.408 0.595 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)nn1CCC#N ZINC000442301716 438604212 /nfs/dbraw/zinc/60/42/12/438604212.db2.gz INJLEVJQNXXKAH-CHWSQXEVSA-N 1 1 332.408 0.595 20 30 ECEDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000442298685 438604491 /nfs/dbraw/zinc/60/44/91/438604491.db2.gz GJUOKOSEHHBGRE-RYUDHWBXSA-N 1 1 346.435 0.999 20 30 ECEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000442298685 438604492 /nfs/dbraw/zinc/60/44/92/438604492.db2.gz GJUOKOSEHHBGRE-RYUDHWBXSA-N 1 1 346.435 0.999 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000451997545 438625019 /nfs/dbraw/zinc/62/50/19/438625019.db2.gz SJUAPWLQBPUSPS-CABCVRRESA-N 1 1 345.399 0.887 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000451997545 438625021 /nfs/dbraw/zinc/62/50/21/438625021.db2.gz SJUAPWLQBPUSPS-CABCVRRESA-N 1 1 345.399 0.887 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc1 ZINC000494084529 438670986 /nfs/dbraw/zinc/67/09/86/438670986.db2.gz AWXAYKMPTFHFRW-LSDHHAIUSA-N 1 1 331.372 0.824 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)OCC[C@H]3C2)cc1 ZINC000494084529 438670990 /nfs/dbraw/zinc/67/09/90/438670990.db2.gz AWXAYKMPTFHFRW-LSDHHAIUSA-N 1 1 331.372 0.824 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000494102589 438673451 /nfs/dbraw/zinc/67/34/51/438673451.db2.gz VJGPLZSEBIGGFW-UHFFFAOYSA-N 1 1 328.413 0.797 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000494102589 438673455 /nfs/dbraw/zinc/67/34/55/438673455.db2.gz VJGPLZSEBIGGFW-UHFFFAOYSA-N 1 1 328.413 0.797 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453648401 438686190 /nfs/dbraw/zinc/68/61/90/438686190.db2.gz FKVZXRUZNGWNPN-MRXNPFEDSA-N 1 1 344.415 0.918 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1C#N ZINC000453712288 438690046 /nfs/dbraw/zinc/69/00/46/438690046.db2.gz NFQQTAAEZMKWCR-BXUZGUMPSA-N 1 1 327.388 0.895 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000453803237 438695277 /nfs/dbraw/zinc/69/52/77/438695277.db2.gz GEJFIELYZCTJQP-OAHLLOKOSA-N 1 1 344.415 0.768 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000453814784 438696491 /nfs/dbraw/zinc/69/64/91/438696491.db2.gz FYRSLUUWTCLVHS-HNNXBMFYSA-N 1 1 344.415 0.768 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000451441281 438697709 /nfs/dbraw/zinc/69/77/09/438697709.db2.gz YIPQYEWZGOESPP-CZUORRHYSA-N 1 1 344.406 0.381 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000451441281 438697715 /nfs/dbraw/zinc/69/77/15/438697715.db2.gz YIPQYEWZGOESPP-CZUORRHYSA-N 1 1 344.406 0.381 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494703149 438705016 /nfs/dbraw/zinc/70/50/16/438705016.db2.gz LYWXJBXRVOKYHN-ZIAGYGMSSA-N 1 1 329.466 0.589 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494703149 438705019 /nfs/dbraw/zinc/70/50/19/438705019.db2.gz LYWXJBXRVOKYHN-ZIAGYGMSSA-N 1 1 329.466 0.589 20 30 ECEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000574879775 438725706 /nfs/dbraw/zinc/72/57/06/438725706.db2.gz GCIQHPWUUHWFBB-FPMFFAJLSA-N 1 1 347.440 0.856 20 30 ECEDMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ncc1C#N ZINC000457515463 438810290 /nfs/dbraw/zinc/81/02/90/438810290.db2.gz DYBDYHWVZTXGSA-ZDUSSCGKSA-N 1 1 329.404 0.579 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(F)c1 ZINC000577149534 438816776 /nfs/dbraw/zinc/81/67/76/438816776.db2.gz XWMRYRKJRYFIBM-ZDUSSCGKSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(F)c1 ZINC000577149534 438816781 /nfs/dbraw/zinc/81/67/81/438816781.db2.gz XWMRYRKJRYFIBM-ZDUSSCGKSA-N 1 1 341.408 0.822 20 30 ECEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 ZINC000588125839 438818741 /nfs/dbraw/zinc/81/87/41/438818741.db2.gz OHHZAKBTOKEOEY-HNNXBMFYSA-N 1 1 349.479 0.281 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](OC(F)F)C2)CC1 ZINC000558863783 438827344 /nfs/dbraw/zinc/82/73/44/438827344.db2.gz FNUVDBNCENRJOE-UONOGXRCSA-N 1 1 344.406 0.992 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](OC(F)F)C2)CC1 ZINC000558863783 438827348 /nfs/dbraw/zinc/82/73/48/438827348.db2.gz FNUVDBNCENRJOE-UONOGXRCSA-N 1 1 344.406 0.992 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@H](CC(N)=O)C3)C2=O)cc1 ZINC000588305575 438830104 /nfs/dbraw/zinc/83/01/04/438830104.db2.gz SGDDWDAXXLMMFY-OCCSQVGLSA-N 1 1 326.356 0.387 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2ccsc2C#N)CC1 ZINC000595629756 438837362 /nfs/dbraw/zinc/83/73/62/438837362.db2.gz KGZSGHKBNSRDFD-CQSZACIVSA-N 1 1 338.477 0.681 20 30 ECEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 ZINC000588730972 438837548 /nfs/dbraw/zinc/83/75/48/438837548.db2.gz CEZINDQBUXGEOG-UHFFFAOYSA-N 1 1 333.440 0.912 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000601440716 438896563 /nfs/dbraw/zinc/89/65/63/438896563.db2.gz VZPWWRNDOTXKMU-CQSZACIVSA-N 1 1 344.481 0.509 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000563236805 438860094 /nfs/dbraw/zinc/86/00/94/438860094.db2.gz WJJNSFRINKODOJ-OAHLLOKOSA-N 1 1 345.447 0.200 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cccc(C#N)n2)CC1 ZINC000589303877 438867965 /nfs/dbraw/zinc/86/79/65/438867965.db2.gz BHMJPVQVRQEIJU-UHFFFAOYSA-N 1 1 329.404 0.674 20 30 ECEDMO C=CCC[C@H](CO)NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000458434301 438884571 /nfs/dbraw/zinc/88/45/71/438884571.db2.gz JIWGJGBDLWPAEP-JKSUJKDBSA-N 1 1 326.485 0.886 20 30 ECEDMO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000595991886 438910070 /nfs/dbraw/zinc/91/00/70/438910070.db2.gz TXDSCUJXJINQLH-YOEHRIQHSA-N 1 1 327.388 0.317 20 30 ECEDMO Cn1nnc2c1ncnc2N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596052709 438918244 /nfs/dbraw/zinc/91/82/44/438918244.db2.gz HSIKPVVYYKUUIJ-UHFFFAOYSA-N 1 1 334.387 0.952 20 30 ECEDMO C[NH+]1CCN(C(=O)c2ccc(CNc3cc(C#N)cnn3)cc2)CC1 ZINC000596075787 438922265 /nfs/dbraw/zinc/92/22/65/438922265.db2.gz LNMRWRGFMOVBRI-UHFFFAOYSA-N 1 1 336.399 1.348 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H]3CCO)CC2)o1 ZINC000516700898 438924203 /nfs/dbraw/zinc/92/42/03/438924203.db2.gz SGQSRYLJHMQTTI-AWEZNQCLSA-N 1 1 347.419 0.350 20 30 ECEDMO Cc1cc(N[C@H]2CC(=O)N(C)C2)c(C#N)c(N[C@H]2CC(=O)N(C)C2)[nH+]1 ZINC000596134750 438931047 /nfs/dbraw/zinc/93/10/47/438931047.db2.gz PRGWOYAOBKRJBF-RYUDHWBXSA-N 1 1 342.403 0.547 20 30 ECEDMO C[C@@H](CNC(=O)N1CCN(CCC#N)CC1)CN1CC[NH+](C)CC1 ZINC000601579098 438935649 /nfs/dbraw/zinc/93/56/49/438935649.db2.gz BNXASLNRKCBNNE-INIZCTEOSA-N 1 1 336.484 0.111 20 30 ECEDMO N#CCCN1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000601596728 438940146 /nfs/dbraw/zinc/94/01/46/438940146.db2.gz WKLHLQJZXQHDPF-IAGOWNOFSA-N 1 1 349.479 0.871 20 30 ECEDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000578741224 438950410 /nfs/dbraw/zinc/95/04/10/438950410.db2.gz MHTNAKUXKCBGSV-NVXWUHKLSA-N 1 1 332.448 0.523 20 30 ECEDMO N#Cc1c(F)cccc1C[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000602006335 438998021 /nfs/dbraw/zinc/99/80/21/438998021.db2.gz JXLUYKFHTFTVJA-HNNXBMFYSA-N 1 1 346.406 0.720 20 30 ECEDMO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCc3[nH]ncc32)c1C#N ZINC000566024501 438998233 /nfs/dbraw/zinc/99/82/33/438998233.db2.gz ZDADIVAVGZDPDH-JTQLQIEISA-N 1 1 327.392 1.215 20 30 ECEDMO N#Cc1cc(F)cc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000602035907 439000694 /nfs/dbraw/zinc/00/06/94/439000694.db2.gz XLHRHCHZSBISQL-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO N#Cc1cc(F)cc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000602035907 439000700 /nfs/dbraw/zinc/00/07/00/439000700.db2.gz XLHRHCHZSBISQL-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000459818137 439006318 /nfs/dbraw/zinc/00/63/18/439006318.db2.gz BQBGEWRVYSRBGI-UHFFFAOYSA-N 1 1 338.496 0.895 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000459818137 439006334 /nfs/dbraw/zinc/00/63/34/439006334.db2.gz BQBGEWRVYSRBGI-UHFFFAOYSA-N 1 1 338.496 0.895 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)nc1 ZINC000602080792 439008867 /nfs/dbraw/zinc/00/88/67/439008867.db2.gz YOWYBCBJRPXMQL-HZPDHXFCSA-N 1 1 341.415 0.465 20 30 ECEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1=CCS(=O)(=O)C1 ZINC000602088153 439009041 /nfs/dbraw/zinc/00/90/41/439009041.db2.gz MCEKAUKHWSDSLF-UHFFFAOYSA-N 1 1 347.440 0.803 20 30 ECEDMO CN1CC[NH+](C(C)(C)CNC(=O)N2CCN(CCC#N)CC2)CC1 ZINC000602230903 439042288 /nfs/dbraw/zinc/04/22/88/439042288.db2.gz LZHUKRJMLMBNEZ-UHFFFAOYSA-N 1 1 336.484 0.253 20 30 ECEDMO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2cnn(C)c2C#N)CC1 ZINC000579612612 439024162 /nfs/dbraw/zinc/02/41/62/439024162.db2.gz MUTWZYFJBUNNFD-UHFFFAOYSA-N 1 1 346.435 0.354 20 30 ECEDMO C=CCN(C)C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000459907622 439032256 /nfs/dbraw/zinc/03/22/56/439032256.db2.gz LUGLBWHCBNXPRC-GASCZTMLSA-N 1 1 337.464 0.979 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(CCC#N)CC2)C1 ZINC000602224891 439041331 /nfs/dbraw/zinc/04/13/31/439041331.db2.gz AUFXWAVGAGVGHH-INIZCTEOSA-N 1 1 337.468 0.584 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nnc3n2CCC3)cc1 ZINC000591723564 439075293 /nfs/dbraw/zinc/07/52/93/439075293.db2.gz OSAFYDCIXMEEPP-AWEZNQCLSA-N 1 1 327.388 0.820 20 30 ECEDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)C1 ZINC000580271227 439075873 /nfs/dbraw/zinc/07/58/73/439075873.db2.gz KHRHCSGZEKVXOE-SGMGOOAPSA-N 1 1 331.420 0.122 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000597317212 439076693 /nfs/dbraw/zinc/07/66/93/439076693.db2.gz GEMQTIUAMWPQCD-STQMWFEESA-N 1 1 329.466 0.247 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000597317212 439076698 /nfs/dbraw/zinc/07/66/98/439076698.db2.gz GEMQTIUAMWPQCD-STQMWFEESA-N 1 1 329.466 0.247 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000591746493 439080565 /nfs/dbraw/zinc/08/05/65/439080565.db2.gz RBDSSNWHWWDGRW-CQSZACIVSA-N 1 1 328.376 0.604 20 30 ECEDMO C[NH+]1CCN(c2ncc(CN3CCN(CCC#N)CC3)cn2)CC1 ZINC000602748917 439130171 /nfs/dbraw/zinc/13/01/71/439130171.db2.gz WQBZBSMPKSFGOB-UHFFFAOYSA-N 1 1 329.452 0.260 20 30 ECEDMO CN1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cn2)CC1 ZINC000567381926 439138128 /nfs/dbraw/zinc/13/81/28/439138128.db2.gz RHPLMSZQQVVNJL-HNNXBMFYSA-N 1 1 330.436 0.471 20 30 ECEDMO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000567681668 439164528 /nfs/dbraw/zinc/16/45/28/439164528.db2.gz YJAGWOAVFVYLIE-KRWDZBQOSA-N 1 1 346.479 0.129 20 30 ECEDMO C=CCCCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000489245107 439219115 /nfs/dbraw/zinc/21/91/15/439219115.db2.gz HHDWXVVGBIEESF-AWEZNQCLSA-N 1 1 331.482 0.815 20 30 ECEDMO C=CCCCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000489245107 439219119 /nfs/dbraw/zinc/21/91/19/439219119.db2.gz HHDWXVVGBIEESF-AWEZNQCLSA-N 1 1 331.482 0.815 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000592196110 439176323 /nfs/dbraw/zinc/17/63/23/439176323.db2.gz ADBRHJFKFLYQBG-CABCVRRESA-N 1 1 331.372 0.030 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000592196110 439176327 /nfs/dbraw/zinc/17/63/27/439176327.db2.gz ADBRHJFKFLYQBG-CABCVRRESA-N 1 1 331.372 0.030 20 30 ECEDMO CCN1CC[N@@H+](C[C@H]2CNc3c(C#N)cnn3C2)C[C@H]1c1ncc[nH]1 ZINC000592510255 439242948 /nfs/dbraw/zinc/24/29/48/439242948.db2.gz DMVCGNKTGYSSAS-HIFRSBDPSA-N 1 1 340.435 0.898 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](c3nc[nH]n3)C2)cc1 ZINC000581880719 439260510 /nfs/dbraw/zinc/26/05/10/439260510.db2.gz IZLKFKKSNBBSSL-ZDUSSCGKSA-N 1 1 331.401 0.940 20 30 ECEDMO C[C@@]1(C#N)CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000603436602 439261559 /nfs/dbraw/zinc/26/15/59/439261559.db2.gz PCQQQBZULHWRNQ-AEFFLSMTSA-N 1 1 349.479 0.728 20 30 ECEDMO CC(=O)N1CCN([C@@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]2C)CC1 ZINC000598597569 439284559 /nfs/dbraw/zinc/28/45/59/439284559.db2.gz YXULPQNAPHFAKA-DJIMGWMZSA-N 1 1 336.480 0.772 20 30 ECEDMO N#CC1(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000603436720 439262405 /nfs/dbraw/zinc/26/24/05/439262405.db2.gz QZZKVFQXTMFSSF-HNNXBMFYSA-N 1 1 335.452 0.386 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)CC1 ZINC000490922881 439314556 /nfs/dbraw/zinc/31/45/56/439314556.db2.gz GYISWNRANNUHJX-LJQANCHMSA-N 1 1 345.418 0.496 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)CC1 ZINC000490922881 439314561 /nfs/dbraw/zinc/31/45/61/439314561.db2.gz GYISWNRANNUHJX-LJQANCHMSA-N 1 1 345.418 0.496 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3cnc(N)nc3C2)cc1 ZINC000598950437 439332753 /nfs/dbraw/zinc/33/27/53/439332753.db2.gz QCNZVNUZNUAQII-OAHLLOKOSA-N 1 1 339.399 0.923 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3cnc(N)nc3C2)cc1 ZINC000598950437 439332757 /nfs/dbraw/zinc/33/27/57/439332757.db2.gz QCNZVNUZNUAQII-OAHLLOKOSA-N 1 1 339.399 0.923 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000491105347 439333388 /nfs/dbraw/zinc/33/33/88/439333388.db2.gz VLNAMDHXWWYZDR-UHFFFAOYSA-N 1 1 334.420 0.216 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@](O)(CC#N)C2)CC1=O ZINC000592844406 439287804 /nfs/dbraw/zinc/28/78/04/439287804.db2.gz JOOWKMZKYZFDHZ-DAYGRLMNSA-N 1 1 348.447 0.196 20 30 ECEDMO CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@](O)(CC#N)C3)cc2)CC1 ZINC000592845886 439290292 /nfs/dbraw/zinc/29/02/92/439290292.db2.gz RSCKFLANILFPJE-IBGZPJMESA-N 1 1 342.443 0.925 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@H]2CC)CC1 ZINC000490853814 439304349 /nfs/dbraw/zinc/30/43/49/439304349.db2.gz UUZLIHYGUNJCEF-MSOLQXFVSA-N 1 1 348.491 0.485 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@H]2CC)CC1 ZINC000490853814 439304353 /nfs/dbraw/zinc/30/43/53/439304353.db2.gz UUZLIHYGUNJCEF-MSOLQXFVSA-N 1 1 348.491 0.485 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCn1nc2ccccn2c1=O ZINC000490893629 439306396 /nfs/dbraw/zinc/30/63/96/439306396.db2.gz WFJRGNUONRLHKY-CQSZACIVSA-N 1 1 328.372 0.527 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)NCc2cccc(OC)c2)CC1 ZINC000491156111 439339350 /nfs/dbraw/zinc/33/93/50/439339350.db2.gz XPUNXARCYKKOOW-UHFFFAOYSA-N 1 1 343.427 0.773 20 30 ECEDMO C#CCN(C(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000491165683 439341969 /nfs/dbraw/zinc/34/19/69/439341969.db2.gz MWGMIIXYCIPJAW-INIZCTEOSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CCN(C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000491165684 439343528 /nfs/dbraw/zinc/34/35/28/439343528.db2.gz MWGMIIXYCIPJAW-MRXNPFEDSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)[C@@]3(CCCO3)[C@@H]2C(C)C)CC1 ZINC000491340441 439368316 /nfs/dbraw/zinc/36/83/16/439368316.db2.gz XWLSKFBXWSCXMS-QFBILLFUSA-N 1 1 347.459 0.821 20 30 ECEDMO N#CC1(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCC1 ZINC000593350853 439372224 /nfs/dbraw/zinc/37/22/24/439372224.db2.gz XMHOXJLRXOXVDR-MRXNPFEDSA-N 1 1 349.479 0.776 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)CCCc2nccn2CCC)CC1 ZINC000491619473 439411999 /nfs/dbraw/zinc/41/19/99/439411999.db2.gz FEEJQRGAJNEWBX-UHFFFAOYSA-N 1 1 345.491 0.935 20 30 ECEDMO N#Cc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000599274194 439412457 /nfs/dbraw/zinc/41/24/57/439412457.db2.gz NDZDVPPOTBTURS-CQSZACIVSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491673351 439424751 /nfs/dbraw/zinc/42/47/51/439424751.db2.gz IJMXGALIGYKCBD-ZFWWWQNUSA-N 1 1 347.381 0.399 20 30 ECEDMO CCOC(=O)C[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000583143816 439426138 /nfs/dbraw/zinc/42/61/38/439426138.db2.gz WGUBJKNQWYGYHQ-ZDUSSCGKSA-N 1 1 340.401 0.236 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000491783114 439448712 /nfs/dbraw/zinc/44/87/12/439448712.db2.gz PAMWCPWBEZZOTC-UHFFFAOYSA-N 1 1 334.392 0.900 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000491812905 439456247 /nfs/dbraw/zinc/45/62/47/439456247.db2.gz PDYJBKTUTOCKHM-DLBZAZTESA-N 1 1 347.463 0.973 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)CC1 ZINC000491786200 439450389 /nfs/dbraw/zinc/45/03/89/439450389.db2.gz UMHGNNQFUJVEAI-MSOLQXFVSA-N 1 1 327.428 0.572 20 30 ECEDMO C[NH+]1CCC(C#N)(NC(=O)c2ccnc(N3CCOCC3)n2)CC1 ZINC000599380509 439451825 /nfs/dbraw/zinc/45/18/25/439451825.db2.gz QVAUKHUACYOCDC-UHFFFAOYSA-N 1 1 330.392 0.031 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC1=CC[N@@H+](C)CC1 ZINC000593572206 439408768 /nfs/dbraw/zinc/40/87/68/439408768.db2.gz DZMSTTKPZPYVJZ-UHFFFAOYSA-N 1 1 349.412 0.885 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1)C1CC1 ZINC000530756948 439502468 /nfs/dbraw/zinc/50/24/68/439502468.db2.gz WRBANXYYASHHCC-IRXDYDNUSA-N 1 1 347.419 0.105 20 30 ECEDMO N#Cc1cccc(-c2nnc(CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)o2)c1 ZINC000594026630 439508337 /nfs/dbraw/zinc/50/83/37/439508337.db2.gz FXVCTMRYURYCHG-LSDHHAIUSA-N 1 1 325.372 0.859 20 30 ECEDMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC(=O)NCc2cccc(C#N)c2)n1 ZINC000599684683 439535484 /nfs/dbraw/zinc/53/54/84/439535484.db2.gz FWSBPULRUNOQMK-GOEBONIOSA-N 1 1 341.371 0.986 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000599689103 439536636 /nfs/dbraw/zinc/53/66/36/439536636.db2.gz DFQPGZFGUFWSIO-STQMWFEESA-N 1 1 342.465 0.199 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000599689103 439536641 /nfs/dbraw/zinc/53/66/41/439536641.db2.gz DFQPGZFGUFWSIO-STQMWFEESA-N 1 1 342.465 0.199 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)n(CCC#N)n1 ZINC000543705075 439562034 /nfs/dbraw/zinc/56/20/34/439562034.db2.gz LJSGHTCDQWUXFQ-KBPBESRZSA-N 1 1 344.419 0.596 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)nc1 ZINC000609668190 439583332 /nfs/dbraw/zinc/58/33/32/439583332.db2.gz IYFVFZXMBXNBLK-OAHLLOKOSA-N 1 1 329.404 0.090 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NC2CC([NH+]3CCOCC3)C2)cc1 ZINC000600066775 439607352 /nfs/dbraw/zinc/60/73/52/439607352.db2.gz LOVGJMPDXGALIM-UHFFFAOYSA-N 1 1 342.399 0.267 20 30 ECEDMO CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@@H]1CC[N@@H+](C)C1 ZINC000595103984 439654158 /nfs/dbraw/zinc/65/41/58/439654158.db2.gz PXMJCJABFSDNBP-CYBMUJFWSA-N 1 1 346.435 1.001 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000600213735 439622241 /nfs/dbraw/zinc/62/22/41/439622241.db2.gz OOJZCWLBUHMDPZ-LBPRGKRZSA-N 1 1 348.432 0.362 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000600213735 439622245 /nfs/dbraw/zinc/62/22/45/439622245.db2.gz OOJZCWLBUHMDPZ-LBPRGKRZSA-N 1 1 348.432 0.362 20 30 ECEDMO CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000611581153 439708829 /nfs/dbraw/zinc/70/88/29/439708829.db2.gz YBIHFBGEZVDSPM-ZDUSSCGKSA-N 1 1 345.451 0.922 20 30 ECEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000611432352 439696405 /nfs/dbraw/zinc/69/64/05/439696405.db2.gz UVMLKVDVVVURBU-ULQDDVLXSA-N 1 1 325.453 0.709 20 30 ECEDMO CC1(C)CN(CC(=O)NCc2cccc(C#N)c2)CC[N@H+]1CCO ZINC000614920668 439790127 /nfs/dbraw/zinc/79/01/27/439790127.db2.gz MQPGVYOYCFEISM-UHFFFAOYSA-N 1 1 330.432 0.563 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@](F)(C#N)C2)CC1 ZINC000615539126 439801983 /nfs/dbraw/zinc/80/19/83/439801983.db2.gz FHESCNORASBQLH-OAHLLOKOSA-N 1 1 325.388 0.186 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@](F)(C#N)C2)CC1=O ZINC000615591821 439802913 /nfs/dbraw/zinc/80/29/13/439802913.db2.gz RIZGARMMDCCBSJ-CKEIUWERSA-N 1 1 336.411 0.783 20 30 ECEDMO C=CCCn1cc(CN[C@H]2CCC[N@H+](CCN3CCOCC3)C2)nn1 ZINC000641786498 439915356 /nfs/dbraw/zinc/91/53/56/439915356.db2.gz FSTJZUMXKUWKMX-KRWDZBQOSA-N 1 1 348.495 0.740 20 30 ECEDMO C=CCCn1cc(CN[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)nn1 ZINC000641786498 439915364 /nfs/dbraw/zinc/91/53/64/439915364.db2.gz FSTJZUMXKUWKMX-KRWDZBQOSA-N 1 1 348.495 0.740 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000631909224 439969679 /nfs/dbraw/zinc/96/96/79/439969679.db2.gz XHVREGSJDLGMSQ-CQSZACIVSA-N 1 1 327.450 0.320 20 30 ECEDMO C=CCN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H](C)COC ZINC000664172900 440248150 /nfs/dbraw/zinc/24/81/50/440248150.db2.gz BEOIBMRMKBTACM-CABCVRRESA-N 1 1 340.468 0.806 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000648760910 440322752 /nfs/dbraw/zinc/32/27/52/440322752.db2.gz ULYKFUUGTPWSAK-AWEZNQCLSA-N 1 1 334.424 0.137 20 30 ECEDMO C=C[C@](C)(O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000666441355 440642668 /nfs/dbraw/zinc/64/26/68/440642668.db2.gz QMPNDNCHQOWUBM-SFHVURJKSA-N 1 1 331.416 0.627 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nn1 ZINC000645037301 440734550 /nfs/dbraw/zinc/73/45/50/440734550.db2.gz SDWJQZSHQFREDU-MRXNPFEDSA-N 1 1 347.467 0.386 20 30 ECEDMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCC#CCO)cc2)CC1 ZINC000639602928 440747602 /nfs/dbraw/zinc/74/76/02/440747602.db2.gz BSWUFKVEYNXHRT-UHFFFAOYSA-N 1 1 344.415 0.582 20 30 ECEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639798568 440794390 /nfs/dbraw/zinc/79/43/90/440794390.db2.gz HYRKLWLEAYPXOQ-CQSZACIVSA-N 1 1 343.493 0.815 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000640602615 440960486 /nfs/dbraw/zinc/96/04/86/440960486.db2.gz ALOKNGCIADCKPT-UHFFFAOYSA-N 1 1 346.435 0.599 20 30 ECEDMO N#Cc1ncn(CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000561271028 322258398 /nfs/dbraw/zinc/25/83/98/322258398.db2.gz VVTYBTPNVVERTA-HNNXBMFYSA-N 1 1 339.403 0.573 20 30 ECEDMO N#Cc1ccncc1N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000567172795 322573601 /nfs/dbraw/zinc/57/36/01/322573601.db2.gz PEPZZXYCZNCRMW-SJORKVTESA-N 1 1 346.431 0.632 20 30 ECEDMO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000575175898 322792101 /nfs/dbraw/zinc/79/21/01/322792101.db2.gz ZEVNVWNPMMRVNO-SMDDNHRTSA-N 1 1 342.442 0.355 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001078013295 782138589 /nfs/dbraw/zinc/13/85/89/782138589.db2.gz ZYFUIDUWPPRSSH-GPMSIDNRSA-N 1 1 328.412 0.911 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000178097989 527444642 /nfs/dbraw/zinc/44/46/42/527444642.db2.gz DHVDUPRYROSKGF-INIZCTEOSA-N 1 1 341.411 0.787 20 30 ECEDMO C[N@H+]1CCCN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000328764383 546005508 /nfs/dbraw/zinc/00/55/08/546005508.db2.gz OTEXQULWQXNTBD-UHFFFAOYSA-N 1 1 332.470 0.210 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)[N@H+](C)C1 ZINC000329146601 546015584 /nfs/dbraw/zinc/01/55/84/546015584.db2.gz XGEIDCYAMHNMMT-CQJJVWNLSA-N 1 1 349.435 0.758 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)[N@@H+](C)C1 ZINC000329146601 546015589 /nfs/dbraw/zinc/01/55/89/546015589.db2.gz XGEIDCYAMHNMMT-CQJJVWNLSA-N 1 1 349.435 0.758 20 30 ECEDMO C[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCS1(=O)=O ZINC000329817156 546034462 /nfs/dbraw/zinc/03/44/62/546034462.db2.gz OJBDBEPCZBOOQU-CYBMUJFWSA-N 1 1 346.497 0.045 20 30 ECEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000330041366 546038311 /nfs/dbraw/zinc/03/83/11/546038311.db2.gz CZMWUZKHMZRLJD-GFCCVEGCSA-N 1 1 344.419 0.894 20 30 ECEDMO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCc2c(ncn(C)c2=O)C1 ZINC000330041366 546038319 /nfs/dbraw/zinc/03/83/19/546038319.db2.gz CZMWUZKHMZRLJD-GFCCVEGCSA-N 1 1 344.419 0.894 20 30 ECEDMO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000331276693 546044510 /nfs/dbraw/zinc/04/45/10/546044510.db2.gz CPRWGKXECAIJSU-RKDXNWHRSA-N 1 1 348.329 0.965 20 30 ECEDMO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000331276693 546044514 /nfs/dbraw/zinc/04/45/14/546044514.db2.gz CPRWGKXECAIJSU-RKDXNWHRSA-N 1 1 348.329 0.965 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000337272707 546066036 /nfs/dbraw/zinc/06/60/36/546066036.db2.gz OQEOATARHOBKDB-FZKCQIBNSA-N 1 1 325.453 0.175 20 30 ECEDMO C=CCN1CC[C@H](N(C)C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000337272707 546066040 /nfs/dbraw/zinc/06/60/40/546066040.db2.gz OQEOATARHOBKDB-FZKCQIBNSA-N 1 1 325.453 0.175 20 30 ECEDMO C=CCN1CC[C@H](N(C)C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000337272707 546066045 /nfs/dbraw/zinc/06/60/45/546066045.db2.gz OQEOATARHOBKDB-FZKCQIBNSA-N 1 1 325.453 0.175 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCc1ccc(C#N)cc1 ZINC000619436009 546326696 /nfs/dbraw/zinc/32/66/96/546326696.db2.gz HBLBKOMLHHCAMK-UHFFFAOYSA-N 1 1 328.416 0.723 20 30 ECEDMO C[C@H](C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)n1cnc(C#N)n1 ZINC000619599847 546345251 /nfs/dbraw/zinc/34/52/51/546345251.db2.gz HKZNJXHNHUAEAP-CHWSQXEVSA-N 1 1 332.408 0.422 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000619709489 546359979 /nfs/dbraw/zinc/35/99/79/546359979.db2.gz WGPVVKQVQGQMGD-UONOGXRCSA-N 1 1 332.470 0.413 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000619749419 546366034 /nfs/dbraw/zinc/36/60/34/546366034.db2.gz SLZOZYPZUILDRF-GJZGRUSLSA-N 1 1 344.481 0.652 20 30 ECEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000619780596 546368627 /nfs/dbraw/zinc/36/86/27/546368627.db2.gz UPNPBKVXWDNWOK-HUUCEWRRSA-N 1 1 328.482 0.434 20 30 ECEDMO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCN1CCOCC1 ZINC000625134183 547027258 /nfs/dbraw/zinc/02/72/58/547027258.db2.gz BNJHIDXWNWWTFF-UHFFFAOYSA-N 1 1 341.411 0.550 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)NCCC[N@H+](C)CCOC)C1 ZINC000668559057 547686584 /nfs/dbraw/zinc/68/65/84/547686584.db2.gz XWLYYHTYYHIRBR-HNNXBMFYSA-N 1 1 325.453 0.886 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672641407 548365690 /nfs/dbraw/zinc/36/56/90/548365690.db2.gz PYZTWMGPQSVANJ-HNNXBMFYSA-N 1 1 336.480 0.696 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672641407 548365695 /nfs/dbraw/zinc/36/56/95/548365695.db2.gz PYZTWMGPQSVANJ-HNNXBMFYSA-N 1 1 336.480 0.696 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cnccc3C)C[C@H]2O)cn1 ZINC001078032430 782179440 /nfs/dbraw/zinc/17/94/40/782179440.db2.gz NTRLSCIWPBGOAI-QZTJIDSGSA-N 1 1 336.395 0.741 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@H]2O)cn1 ZINC001078032430 782179448 /nfs/dbraw/zinc/17/94/48/782179448.db2.gz NTRLSCIWPBGOAI-QZTJIDSGSA-N 1 1 336.395 0.741 20 30 ECEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000751480588 579369631 /nfs/dbraw/zinc/36/96/31/579369631.db2.gz KQOLSUYJLQZRBW-IAGOWNOFSA-N 1 1 347.415 0.397 20 30 ECEDMO C[NH+]1CCN(c2ncc(C=Nn3cnc4ccccc4c3=O)cn2)CC1 ZINC000755589936 579435903 /nfs/dbraw/zinc/43/59/03/579435903.db2.gz HBIPEXDBACXHQN-UHFFFAOYSA-N 1 1 349.398 0.821 20 30 ECEDMO C[C@H]1C[N@@H+](C2CC2)CC1=NNC(=S)NCCN1CCOCC1 ZINC000755879541 579440542 /nfs/dbraw/zinc/44/05/42/579440542.db2.gz LTIVESSKBMWVNX-LBPRGKRZSA-N 1 1 325.482 0.253 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)CC1=NNC(=S)NCCN1CCOCC1 ZINC000755879541 579440543 /nfs/dbraw/zinc/44/05/43/579440543.db2.gz LTIVESSKBMWVNX-LBPRGKRZSA-N 1 1 325.482 0.253 20 30 ECEDMO Nc1nc(N)nc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)n1 ZINC000727461572 578158712 /nfs/dbraw/zinc/15/87/12/578158712.db2.gz VVSPTRDULBCIGT-UHFFFAOYSA-N 1 1 329.364 0.423 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000730104500 578303460 /nfs/dbraw/zinc/30/34/60/578303460.db2.gz NUIUEFCVZQZYNZ-KRWDZBQOSA-N 1 1 348.491 0.487 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000730104500 578303461 /nfs/dbraw/zinc/30/34/61/578303461.db2.gz NUIUEFCVZQZYNZ-KRWDZBQOSA-N 1 1 348.491 0.487 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2N=NC(=S)N2C)C1 ZINC000732077229 578318874 /nfs/dbraw/zinc/31/88/74/578318874.db2.gz GXROCYJENOYPJE-STQMWFEESA-N 1 1 333.461 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C2N=NC(=S)N2C)C1 ZINC000732077229 578318875 /nfs/dbraw/zinc/31/88/75/578318875.db2.gz GXROCYJENOYPJE-STQMWFEESA-N 1 1 333.461 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2noc(CC)n2)C1 ZINC000732561540 578327486 /nfs/dbraw/zinc/32/74/86/578327486.db2.gz AAVVEESMQWCEPR-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2noc(CC)n2)C1 ZINC000732561540 578327488 /nfs/dbraw/zinc/32/74/88/578327488.db2.gz AAVVEESMQWCEPR-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO CCOCCC[N@H+]1CCC(=NNC(=S)NCC(=O)NC)[C@@H](C)C1 ZINC000735229548 578380633 /nfs/dbraw/zinc/38/06/33/578380633.db2.gz INJCRCSUUJWDLW-LBPRGKRZSA-N 1 1 343.497 0.321 20 30 ECEDMO C=CC[N@H+](CCCS(N)(=O)=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418400 578383861 /nfs/dbraw/zinc/38/38/61/578383861.db2.gz CVNYXPFOXMRQJP-UHFFFAOYSA-N 1 1 336.421 0.533 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000798452553 578645815 /nfs/dbraw/zinc/64/58/15/578645815.db2.gz IYUVVWKAHQYNST-QZTJIDSGSA-N 1 1 345.443 0.827 20 30 ECEDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780936104 578702919 /nfs/dbraw/zinc/70/29/19/578702919.db2.gz AYBUQNGGSYMRRT-KRWDZBQOSA-N 1 1 330.432 0.688 20 30 ECEDMO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000785804344 578775865 /nfs/dbraw/zinc/77/58/65/578775865.db2.gz NCBHMGBQKYMLHU-STQMWFEESA-N 1 1 336.417 0.481 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)CC[N@H+]1C ZINC000787759218 578815850 /nfs/dbraw/zinc/81/58/50/578815850.db2.gz MIZLIOSFWZUCCD-JSGCOSHPSA-N 1 1 344.419 0.080 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1CCCO1 ZINC000793843331 578940791 /nfs/dbraw/zinc/94/07/91/578940791.db2.gz IQQAMFUNDCNEJG-IAGOWNOFSA-N 1 1 343.427 0.532 20 30 ECEDMO C[NH+]1CCN(c2ccc(C=NN[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000771551410 579190533 /nfs/dbraw/zinc/19/05/33/579190533.db2.gz ARRCLQSZWOIGII-HNNXBMFYSA-N 1 1 336.461 0.549 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cc2ccccc2CC#N)CC1 ZINC000777393557 579297678 /nfs/dbraw/zinc/29/76/78/579297678.db2.gz ODTLPRYDMFIIAF-UHFFFAOYSA-N 1 1 342.443 0.964 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1ccccc1CC#N ZINC000777406833 579297766 /nfs/dbraw/zinc/29/77/66/579297766.db2.gz HZXLBLNTDWHMSO-UHFFFAOYSA-N 1 1 328.416 0.528 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000779247338 579314574 /nfs/dbraw/zinc/31/45/74/579314574.db2.gz ZPQOCZPOOOAUOA-NEPJUHHUSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000779247338 579314575 /nfs/dbraw/zinc/31/45/75/579314575.db2.gz ZPQOCZPOOOAUOA-NEPJUHHUSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCN(C)c2ccccc2)CC1 ZINC000761024315 579519481 /nfs/dbraw/zinc/51/94/81/579519481.db2.gz MGQXWPLUANZWBJ-UHFFFAOYSA-N 1 1 336.461 0.208 20 30 ECEDMO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000761120974 579522266 /nfs/dbraw/zinc/52/22/66/579522266.db2.gz DACOILDAIPKFSC-NSHDSACASA-N 1 1 334.351 0.734 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000739949194 579723622 /nfs/dbraw/zinc/72/36/22/579723622.db2.gz MYBVKGINCKERMD-OLZOCXBDSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000739949194 579723624 /nfs/dbraw/zinc/72/36/24/579723624.db2.gz MYBVKGINCKERMD-OLZOCXBDSA-N 1 1 339.392 0.839 20 30 ECEDMO O=C(CCNC(=O)C1N=CC=CC1=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000746238666 579833993 /nfs/dbraw/zinc/83/39/93/579833993.db2.gz RHGUZQJFUJXCQC-VLUKHXRESA-N 1 1 332.404 0.503 20 30 ECEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746406373 579838320 /nfs/dbraw/zinc/83/83/20/579838320.db2.gz PMVYPOWJBKCLND-AWEZNQCLSA-N 1 1 332.408 0.726 20 30 ECEDMO C#CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C(=O)OC ZINC000837937240 588965864 /nfs/dbraw/zinc/96/58/64/588965864.db2.gz CXYUPTUEKADTME-JKSUJKDBSA-N 1 1 329.400 0.975 20 30 ECEDMO O=C1N=C(N=NC2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)NC1=O ZINC000841633747 588996677 /nfs/dbraw/zinc/99/66/77/588996677.db2.gz WIUOTUPUYZYTJW-AWEZNQCLSA-N 1 1 325.372 0.944 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000842166815 589016228 /nfs/dbraw/zinc/01/62/28/589016228.db2.gz SPBWIPQHERMLPZ-GJZGRUSLSA-N 1 1 331.372 0.345 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000842166815 589016229 /nfs/dbraw/zinc/01/62/29/589016229.db2.gz SPBWIPQHERMLPZ-GJZGRUSLSA-N 1 1 331.372 0.345 20 30 ECEDMO C#CC[C@@H]1NC(=O)N([C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1=O ZINC000842245461 589024130 /nfs/dbraw/zinc/02/41/30/589024130.db2.gz WRFAIMZOUXVZJM-CABCVRRESA-N 1 1 341.415 0.536 20 30 ECEDMO C=C(C)COc1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCO)c1 ZINC000892219331 586235525 /nfs/dbraw/zinc/23/55/25/586235525.db2.gz PSEPUUVDBHMUBS-UHFFFAOYSA-N 1 1 335.404 0.620 20 30 ECEDMO Cc1c(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cnn1CCC#N ZINC000896462734 586243306 /nfs/dbraw/zinc/24/33/06/586243306.db2.gz XSFQMSUSWWLRDD-UHFFFAOYSA-N 1 1 327.392 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1 ZINC000888203171 586321263 /nfs/dbraw/zinc/32/12/63/586321263.db2.gz IFFJYYVPXGYBFR-KXBFYZLASA-N 1 1 348.443 0.781 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1 ZINC000888203171 586321264 /nfs/dbraw/zinc/32/12/64/586321264.db2.gz IFFJYYVPXGYBFR-KXBFYZLASA-N 1 1 348.443 0.781 20 30 ECEDMO C=C(CC[NH+](C)C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000900229569 586533276 /nfs/dbraw/zinc/53/32/76/586533276.db2.gz PBHUMUVCEHJAHB-UHFFFAOYSA-N 1 1 331.464 0.958 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000900486419 586635718 /nfs/dbraw/zinc/63/57/18/586635718.db2.gz VHWSCZHXTWWNGS-YJBOKZPZSA-N 1 1 328.416 0.662 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)N1CCCC1 ZINC000838868508 586828152 /nfs/dbraw/zinc/82/81/52/586828152.db2.gz BPKJOCVAAVFXBR-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000839527453 586861499 /nfs/dbraw/zinc/86/14/99/586861499.db2.gz JFDPZCJOAOLJSW-MRXNPFEDSA-N 1 1 337.445 0.195 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000906976984 587001784 /nfs/dbraw/zinc/00/17/84/587001784.db2.gz ZYEQXWFVMYWGMF-UHFFFAOYSA-N 1 1 338.433 0.421 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806594815 587101182 /nfs/dbraw/zinc/10/11/82/587101182.db2.gz RRNNJNDQNNVZSP-GFCCVEGCSA-N 1 1 331.338 0.707 20 30 ECEDMO N#CCOc1cccc(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000808024640 587142582 /nfs/dbraw/zinc/14/25/82/587142582.db2.gz WJKVWEKUMWSSKM-MRXNPFEDSA-N 1 1 328.416 0.638 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)[C@H]1CCCO1 ZINC000809305666 587173515 /nfs/dbraw/zinc/17/35/15/587173515.db2.gz HQZUIUUKOUOBGP-IAGOWNOFSA-N 1 1 349.475 0.862 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[C@H]1CCCO1 ZINC000809309215 587174351 /nfs/dbraw/zinc/17/43/51/587174351.db2.gz MDHSKVKMGSAKTA-FXUDXRNXSA-N 1 1 333.432 0.226 20 30 ECEDMO C=CCn1nnn(CN2CC[NH+](C(COC)COC)CC2)c1=S ZINC000840171503 587176148 /nfs/dbraw/zinc/17/61/48/587176148.db2.gz LZCGHBUXRBSNCI-UHFFFAOYSA-N 1 1 342.469 0.232 20 30 ECEDMO N#CC[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000809576226 587180575 /nfs/dbraw/zinc/18/05/75/587180575.db2.gz RVBNQORVXHYPFM-CQSZACIVSA-N 1 1 341.408 0.843 20 30 ECEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCCNc1ncccc1C#N ZINC000817450944 587342053 /nfs/dbraw/zinc/34/20/53/587342053.db2.gz MDCJTRFDFAMAQW-AWEZNQCLSA-N 1 1 344.419 0.034 20 30 ECEDMO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000819230225 587473207 /nfs/dbraw/zinc/47/32/07/587473207.db2.gz SSBAWPYVYLRQCF-BFHYXJOUSA-N 1 1 335.408 0.593 20 30 ECEDMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(O)C2=O)[C@@H](c2cnn(C)c2)C1 ZINC000820133685 587512383 /nfs/dbraw/zinc/51/23/83/587512383.db2.gz YZUNZOJWQGUTJF-RRFJBIMHSA-N 1 1 349.435 0.340 20 30 ECEDMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(O)C2=O)[C@H](c2cnn(C)c2)C1 ZINC000820133681 587512432 /nfs/dbraw/zinc/51/24/32/587512432.db2.gz YZUNZOJWQGUTJF-KKUMJFAQSA-N 1 1 349.435 0.340 20 30 ECEDMO C=CCC(F)(F)C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000820852280 587559812 /nfs/dbraw/zinc/55/98/12/587559812.db2.gz HOVJPYFRUCLEGU-GFCCVEGCSA-N 1 1 333.379 0.493 20 30 ECEDMO C#C[C@H](NC(=O)N(C)CCC[NH+]1CCN(C)CC1)C1CCOCC1 ZINC000823172581 587707234 /nfs/dbraw/zinc/70/72/34/587707234.db2.gz HWAIGOZBTRIIPI-KRWDZBQOSA-N 1 1 336.480 0.694 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])CC1 ZINC000823455511 587721413 /nfs/dbraw/zinc/72/14/13/587721413.db2.gz DGSPHQUKSRVJFA-CABCVRRESA-N 1 1 336.436 0.132 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])CC1 ZINC000823455511 587721414 /nfs/dbraw/zinc/72/14/14/587721414.db2.gz DGSPHQUKSRVJFA-CABCVRRESA-N 1 1 336.436 0.132 20 30 ECEDMO C=CCn1cc(CNC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)nn1 ZINC000827194416 588103951 /nfs/dbraw/zinc/10/39/51/588103951.db2.gz MVYNLVWVMPPQPU-OKILXGFUSA-N 1 1 336.440 0.715 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000827643717 588133477 /nfs/dbraw/zinc/13/34/77/588133477.db2.gz NPCJFGUAPFYFAY-HNNXBMFYSA-N 1 1 332.466 0.303 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000844355413 589109102 /nfs/dbraw/zinc/10/91/02/589109102.db2.gz RCUSPTPCQKCNPN-UHFFFAOYSA-N 1 1 341.390 0.963 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000844355413 589109104 /nfs/dbraw/zinc/10/91/04/589109104.db2.gz RCUSPTPCQKCNPN-UHFFFAOYSA-N 1 1 341.390 0.963 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000845842309 589172709 /nfs/dbraw/zinc/17/27/09/589172709.db2.gz TYODWLMOWFJKSP-GHMZBOCLSA-N 1 1 327.431 0.761 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000845842309 589172710 /nfs/dbraw/zinc/17/27/10/589172710.db2.gz TYODWLMOWFJKSP-GHMZBOCLSA-N 1 1 327.431 0.761 20 30 ECEDMO C#C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000847307751 589241308 /nfs/dbraw/zinc/24/13/08/589241308.db2.gz YHYXGIQQONJRKV-CVEARBPZSA-N 1 1 334.464 0.984 20 30 ECEDMO C#CCN1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849540103 589339725 /nfs/dbraw/zinc/33/97/25/589339725.db2.gz BKEVFFLXJIFZPL-IAGOWNOFSA-N 1 1 329.448 0.233 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@H]21 ZINC000852592738 589502756 /nfs/dbraw/zinc/50/27/56/589502756.db2.gz BCEYFHHAIIEDPZ-JJXSEGSLSA-N 1 1 336.413 0.335 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@H]21 ZINC000852592738 589502758 /nfs/dbraw/zinc/50/27/58/589502758.db2.gz BCEYFHHAIIEDPZ-JJXSEGSLSA-N 1 1 336.413 0.335 20 30 ECEDMO CCN1CC[C@H](O[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000853672568 589554244 /nfs/dbraw/zinc/55/42/44/589554244.db2.gz IDRYQHNFBKLQFT-INIZCTEOSA-N 1 1 346.431 0.905 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000853712052 589556027 /nfs/dbraw/zinc/55/60/27/589556027.db2.gz FMLHCXGSUXZQLU-VCHHOEMESA-N 1 1 349.435 0.685 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](c1nccn1C)C(C)(C)CO ZINC000854094592 589571036 /nfs/dbraw/zinc/57/10/36/589571036.db2.gz XDTZGOLEQDRNOZ-AWEZNQCLSA-N 1 1 335.452 0.734 20 30 ECEDMO C#CCN(C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000854314243 589579218 /nfs/dbraw/zinc/57/92/18/589579218.db2.gz HDAODPQMWSKOSA-KBPBESRZSA-N 1 1 341.477 0.691 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1c2ccccc2CN(C)C1=O ZINC000857864788 589714609 /nfs/dbraw/zinc/71/46/09/589714609.db2.gz HYAIKWUDKVQJPJ-INIZCTEOSA-N 1 1 328.416 0.954 20 30 ECEDMO CN(C[C@@H](O)c1cccc(C#N)c1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000867458695 589787898 /nfs/dbraw/zinc/78/78/98/589787898.db2.gz ZDODGKJCZOBUML-OAHLLOKOSA-N 1 1 337.445 0.947 20 30 ECEDMO CCC[C@H]1C(=O)NCCN1C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867975610 589866246 /nfs/dbraw/zinc/86/62/46/589866246.db2.gz OAFZQHUIRLDPBM-JKSUJKDBSA-N 1 1 326.400 0.872 20 30 ECEDMO CS(=O)(=O)CCCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867981826 589866568 /nfs/dbraw/zinc/86/65/68/589866568.db2.gz YIYNJMOAHWEJGZ-HNNXBMFYSA-N 1 1 335.429 0.686 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cncc(OCCC)c1 ZINC000861872649 589900525 /nfs/dbraw/zinc/90/05/25/589900525.db2.gz WMMMTOLTWUMVEJ-UHFFFAOYSA-N 1 1 332.404 0.880 20 30 ECEDMO C#CCOc1ccccc1C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000862503802 589942606 /nfs/dbraw/zinc/94/26/06/589942606.db2.gz GQXXPVYNPOQZGM-UHFFFAOYSA-N 1 1 343.427 0.869 20 30 ECEDMO C#CCOc1ccccc1C[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000862503802 589942608 /nfs/dbraw/zinc/94/26/08/589942608.db2.gz GQXXPVYNPOQZGM-UHFFFAOYSA-N 1 1 343.427 0.869 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC000870194231 590006056 /nfs/dbraw/zinc/00/60/56/590006056.db2.gz FZJPOGVLCRRYTF-ZDUSSCGKSA-N 1 1 348.403 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC000870194231 590006061 /nfs/dbraw/zinc/00/60/61/590006061.db2.gz FZJPOGVLCRRYTF-ZDUSSCGKSA-N 1 1 348.403 0.874 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000872664822 590139401 /nfs/dbraw/zinc/13/94/01/590139401.db2.gz UUJMNBFLWVQEGU-UONOGXRCSA-N 1 1 330.454 0.262 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1=O ZINC000872711809 590143818 /nfs/dbraw/zinc/14/38/18/590143818.db2.gz BUYLDHRCDYXLOI-GASCZTMLSA-N 1 1 344.415 0.399 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)ccc1C#N ZINC000874369207 590235347 /nfs/dbraw/zinc/23/53/47/590235347.db2.gz SXFAUTRZHDUHOP-UONOGXRCSA-N 1 1 327.388 0.895 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000874383134 590236992 /nfs/dbraw/zinc/23/69/92/590236992.db2.gz OXMKXVFARZURCQ-QGZVFWFLSA-N 1 1 346.475 0.287 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000874456648 590241797 /nfs/dbraw/zinc/24/17/97/590241797.db2.gz NLAGISHEYKQPBE-WKSPDDFDSA-N 1 1 332.404 0.646 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000874456648 590241800 /nfs/dbraw/zinc/24/18/00/590241800.db2.gz NLAGISHEYKQPBE-WKSPDDFDSA-N 1 1 332.404 0.646 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000875058834 590266233 /nfs/dbraw/zinc/26/62/33/590266233.db2.gz XYHUOBIXABLIKI-KRWDZBQOSA-N 1 1 343.427 0.315 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000875058834 590266235 /nfs/dbraw/zinc/26/62/35/590266235.db2.gz XYHUOBIXABLIKI-KRWDZBQOSA-N 1 1 343.427 0.315 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000875217328 590283169 /nfs/dbraw/zinc/28/31/69/590283169.db2.gz ZLRLCRXSLIBMDM-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)C[C@H]2C1=O ZINC000879533306 590320630 /nfs/dbraw/zinc/32/06/30/590320630.db2.gz MNPDEFNFAWYJDH-BETUJISGSA-N 1 1 326.356 0.433 20 30 ECEDMO C#C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C1CCOCC1 ZINC000875746701 590328496 /nfs/dbraw/zinc/32/84/96/590328496.db2.gz CKGDNJPPSUEWDH-GJZGRUSLSA-N 1 1 336.436 0.054 20 30 ECEDMO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000876512313 590384316 /nfs/dbraw/zinc/38/43/16/590384316.db2.gz LKAOTQGKZHSNHT-OLZOCXBDSA-N 1 1 328.844 0.127 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878315302 590515535 /nfs/dbraw/zinc/51/55/35/590515535.db2.gz LDTZLMMMRJRRIK-CQSZACIVSA-N 1 1 327.450 0.031 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878783619 590541988 /nfs/dbraw/zinc/54/19/88/590541988.db2.gz APIBWPJYONUTAV-OAHLLOKOSA-N 1 1 344.415 0.424 20 30 ECEDMO C=C(C)C[C@@H](CO)NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000883459696 590619320 /nfs/dbraw/zinc/61/93/20/590619320.db2.gz FXYIGGWSGFGBJK-CVEARBPZSA-N 1 1 326.485 0.886 20 30 ECEDMO C=C(Cl)CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883490796 590621973 /nfs/dbraw/zinc/62/19/73/590621973.db2.gz ZQGRPRJIYBZHCJ-AWEZNQCLSA-N 1 1 330.860 0.835 20 30 ECEDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000883897886 590679109 /nfs/dbraw/zinc/67/91/09/590679109.db2.gz PFKCUUWIOHEQBO-CQSZACIVSA-N 1 1 345.451 0.526 20 30 ECEDMO CCN1CC[NH+](CCCNC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000136161758 590756710 /nfs/dbraw/zinc/75/67/10/590756710.db2.gz SROFLDYUHPVTDC-UHFFFAOYSA-N 1 1 343.427 0.911 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000884189105 590767589 /nfs/dbraw/zinc/76/75/89/590767589.db2.gz WYCALZGUDFEUIE-INIZCTEOSA-N 1 1 331.416 0.608 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000886353934 590834363 /nfs/dbraw/zinc/83/43/63/590834363.db2.gz SORKBMUXJPAXOV-CYBMUJFWSA-N 1 1 335.429 0.926 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)CC1 ZINC000886631588 590866299 /nfs/dbraw/zinc/86/62/99/590866299.db2.gz QNXGTXOJOINOSW-YQVWRLOYSA-N 1 1 348.491 0.916 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c(OC)ccnc1OC ZINC000890300814 590961374 /nfs/dbraw/zinc/96/13/74/590961374.db2.gz ZPRWDJXBJRQOMG-UHFFFAOYSA-N 1 1 334.376 0.109 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(OC)c1OC ZINC000890300787 590961378 /nfs/dbraw/zinc/96/13/78/590961378.db2.gz YREJJUVECPTQLV-UHFFFAOYSA-N 1 1 333.388 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCOC[C@@H]2c2ccnn2C)C1 ZINC000890362271 591150630 /nfs/dbraw/zinc/15/06/30/591150630.db2.gz BEZIOXDQHYFIQW-GOEBONIOSA-N 1 1 331.420 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@@H]2c2ccnn2C)C1 ZINC000890362271 591150634 /nfs/dbraw/zinc/15/06/34/591150634.db2.gz BEZIOXDQHYFIQW-GOEBONIOSA-N 1 1 331.420 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCO[C@@](C)(C(=O)OCC)C2)C1 ZINC000890361746 591150991 /nfs/dbraw/zinc/15/09/91/591150991.db2.gz YXUNCNVMCLYVPK-WMLDXEAASA-N 1 1 337.420 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@](C)(C(=O)OCC)C2)C1 ZINC000890361746 591150992 /nfs/dbraw/zinc/15/09/92/591150992.db2.gz YXUNCNVMCLYVPK-WMLDXEAASA-N 1 1 337.420 0.448 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000890371053 591154571 /nfs/dbraw/zinc/15/45/71/591154571.db2.gz LIPFZSRMHFXJDZ-MRXNPFEDSA-N 1 1 336.480 0.572 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000922629214 611356640 /nfs/dbraw/zinc/35/66/40/611356640.db2.gz WMDSWPPEPPPYCG-YOEHRIQHSA-N 1 1 336.436 0.862 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1 ZINC000946623992 611370879 /nfs/dbraw/zinc/37/08/79/611370879.db2.gz XOLRDRJCYWIHBB-GASCZTMLSA-N 1 1 330.432 0.943 20 30 ECEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@H]2CN(CC#N)C[C@H]2CC1 ZINC000946623955 611370667 /nfs/dbraw/zinc/37/06/67/611370667.db2.gz WFUROMSAEABXOX-BBWFWOEESA-N 1 1 344.463 0.507 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C[C@H]1C ZINC000948015907 611385824 /nfs/dbraw/zinc/38/58/24/611385824.db2.gz JETVHNCMUDHXMV-GHMZBOCLSA-N 1 1 337.811 0.911 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C[C@H]1C ZINC000948015907 611385828 /nfs/dbraw/zinc/38/58/28/611385828.db2.gz JETVHNCMUDHXMV-GHMZBOCLSA-N 1 1 337.811 0.911 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@@H]1C ZINC000948069235 611407483 /nfs/dbraw/zinc/40/74/83/611407483.db2.gz DQFKLDOOUHNZFH-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO N#CCC(=O)N1CC[NH+](C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000930630980 611448882 /nfs/dbraw/zinc/44/88/82/611448882.db2.gz QEBRDQRYHCQFML-SJORKVTESA-N 1 1 331.416 0.919 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnnn4CC3)CC[C@@H]2C1 ZINC000946790274 611479478 /nfs/dbraw/zinc/47/94/78/611479478.db2.gz DPLXLORHDVTRDA-HRCADAONSA-N 1 1 344.463 0.982 20 30 ECEDMO C=CCCCCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000930948644 611486629 /nfs/dbraw/zinc/48/66/29/611486629.db2.gz JHGBZRFVMNIIDP-CVEARBPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000930991666 611493925 /nfs/dbraw/zinc/49/39/25/611493925.db2.gz FZSNPZJVRBYFKM-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000930991666 611493927 /nfs/dbraw/zinc/49/39/27/611493927.db2.gz FZSNPZJVRBYFKM-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)cc1 ZINC000931014232 611498102 /nfs/dbraw/zinc/49/81/02/611498102.db2.gz HMIPIELPTYONIT-CQSZACIVSA-N 1 1 349.456 0.962 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)cc1 ZINC000931014232 611498104 /nfs/dbraw/zinc/49/81/04/611498104.db2.gz HMIPIELPTYONIT-CQSZACIVSA-N 1 1 349.456 0.962 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000948316201 611517841 /nfs/dbraw/zinc/51/78/41/611517841.db2.gz LGGSRJJCUVBFOG-GJZGRUSLSA-N 1 1 329.404 0.701 20 30 ECEDMO Cn1[nH]c(=O)c2c1C[N@@H+](C[C@H](O)COc1ccccc1C#N)CC2 ZINC000931192596 611517437 /nfs/dbraw/zinc/51/74/37/611517437.db2.gz ZNVZGQOODBMTLQ-ZDUSSCGKSA-N 1 1 328.372 0.795 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C ZINC000947439977 611538695 /nfs/dbraw/zinc/53/86/95/611538695.db2.gz LYWLFKIMVCVFJC-BMFZPTHFSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C ZINC000947439977 611538696 /nfs/dbraw/zinc/53/86/96/611538696.db2.gz LYWLFKIMVCVFJC-BMFZPTHFSA-N 1 1 343.431 0.094 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCc3cc(C#N)ccc3F)C[C@]2(C)C1 ZINC000931599756 611552535 /nfs/dbraw/zinc/55/25/35/611552535.db2.gz UGELTLXJVNOFPT-KDOFPFPSSA-N 1 1 344.390 0.724 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C ZINC000947478932 611553247 /nfs/dbraw/zinc/55/32/47/611553247.db2.gz IGDXBDPOQQLRAV-KGLIPLIRSA-N 1 1 342.403 0.926 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000931821937 611572634 /nfs/dbraw/zinc/57/26/34/611572634.db2.gz SODDWGKRPJHIRT-BZUAXINKSA-N 1 1 349.500 0.944 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000931821937 611572637 /nfs/dbraw/zinc/57/26/37/611572637.db2.gz SODDWGKRPJHIRT-BZUAXINKSA-N 1 1 349.500 0.944 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)CC1 ZINC000948421618 611585788 /nfs/dbraw/zinc/58/57/88/611585788.db2.gz XATSGCIJZNJOTB-OAHLLOKOSA-N 1 1 341.477 0.358 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C ZINC000947567099 611599695 /nfs/dbraw/zinc/59/96/95/611599695.db2.gz BGHLBRNWMMKZIT-ZIAGYGMSSA-N 1 1 339.403 0.663 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC000947611126 611618310 /nfs/dbraw/zinc/61/83/10/611618310.db2.gz HFRMAJFDKXKLEG-CHWSQXEVSA-N 1 1 328.844 0.140 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC000947611126 611618313 /nfs/dbraw/zinc/61/83/13/611618313.db2.gz HFRMAJFDKXKLEG-CHWSQXEVSA-N 1 1 328.844 0.140 20 30 ECEDMO C#CCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927630557 611620981 /nfs/dbraw/zinc/62/09/81/611620981.db2.gz NULWWGKOVANCNO-KRWDZBQOSA-N 1 1 334.464 0.637 20 30 ECEDMO C#CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927630557 611620983 /nfs/dbraw/zinc/62/09/83/611620983.db2.gz NULWWGKOVANCNO-KRWDZBQOSA-N 1 1 334.464 0.637 20 30 ECEDMO C=C1CCC(C(=O)N2CCOC3(CC[NH+](CC(N)=O)CC3)C2)CC1 ZINC000949177273 608623990 /nfs/dbraw/zinc/62/39/90/608623990.db2.gz MVAXKOYXBDRFAU-UHFFFAOYSA-N 1 1 335.448 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC000948546732 611647539 /nfs/dbraw/zinc/64/75/39/611647539.db2.gz GSQGKVYCVOXCQU-HNNXBMFYSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2ccco2)C1 ZINC000955093694 608679157 /nfs/dbraw/zinc/67/91/57/608679157.db2.gz GFIUMKMJAADYOL-INIZCTEOSA-N 1 1 329.400 0.589 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2ccco2)C1 ZINC000955093694 608679159 /nfs/dbraw/zinc/67/91/59/608679159.db2.gz GFIUMKMJAADYOL-INIZCTEOSA-N 1 1 329.400 0.589 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 ZINC000949490058 608706417 /nfs/dbraw/zinc/70/64/17/608706417.db2.gz ZGXCXHLMHJCKCN-OAHLLOKOSA-N 1 1 333.432 0.372 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C#CC2CC2)O1 ZINC000937396383 608708478 /nfs/dbraw/zinc/70/84/78/608708478.db2.gz JIMBWJOSVQKASG-HYVNUMGLSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C#CC2CC2)O1 ZINC000937396383 608708481 /nfs/dbraw/zinc/70/84/81/608708481.db2.gz JIMBWJOSVQKASG-HYVNUMGLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000924035182 608725301 /nfs/dbraw/zinc/72/53/01/608725301.db2.gz IDMUANWYWZQLIU-HRCADAONSA-N 1 1 336.505 0.963 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000948562028 611655077 /nfs/dbraw/zinc/65/50/77/611655077.db2.gz PHQCUQXASLGUTH-HUUCEWRRSA-N 1 1 345.447 0.882 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H](C)C2)nn1 ZINC000947791629 608739531 /nfs/dbraw/zinc/73/95/31/608739531.db2.gz FMDPWHGWVLQSFQ-KBPBESRZSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC000947464546 608765102 /nfs/dbraw/zinc/76/51/02/608765102.db2.gz VYRHEXVYRRUVGW-VXGBXAGGSA-N 1 1 327.816 0.303 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC000947464546 608765107 /nfs/dbraw/zinc/76/51/07/608765107.db2.gz VYRHEXVYRRUVGW-VXGBXAGGSA-N 1 1 327.816 0.303 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cnns2)CC1 ZINC000947229688 608792937 /nfs/dbraw/zinc/79/29/37/608792937.db2.gz GTGIHNMJVIYNRG-ZDUSSCGKSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cnns2)CC1 ZINC000947229688 608792939 /nfs/dbraw/zinc/79/29/39/608792939.db2.gz GTGIHNMJVIYNRG-ZDUSSCGKSA-N 1 1 347.444 0.357 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@@H]1C ZINC000947797188 608807869 /nfs/dbraw/zinc/80/78/69/608807869.db2.gz ZJVPCGVFQDLUBF-UONOGXRCSA-N 1 1 334.424 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC000947230057 608810957 /nfs/dbraw/zinc/81/09/57/608810957.db2.gz LQIWEVAWRRJYET-HNNXBMFYSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC000947230057 608810958 /nfs/dbraw/zinc/81/09/58/608810958.db2.gz LQIWEVAWRRJYET-HNNXBMFYSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccncn2)CC1 ZINC000947230895 608826097 /nfs/dbraw/zinc/82/60/97/608826097.db2.gz WZGHUSROTLROCL-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccncn2)CC1 ZINC000947230895 608826100 /nfs/dbraw/zinc/82/61/00/608826100.db2.gz WZGHUSROTLROCL-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)cc1 ZINC000932779662 611666264 /nfs/dbraw/zinc/66/62/64/611666264.db2.gz AJQYUPQLUDDRNL-INIZCTEOSA-N 1 1 342.399 0.995 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC000936910729 608865437 /nfs/dbraw/zinc/86/54/37/608865437.db2.gz KMAMZCWBQMNNDC-ZFWWWQNUSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C[C@@H]1C ZINC000947547283 608884569 /nfs/dbraw/zinc/88/45/69/608884569.db2.gz QCWQXZJJOKBRMA-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC000932807153 611671751 /nfs/dbraw/zinc/67/17/51/611671751.db2.gz ZMZJZVRUNIVGKR-UHFFFAOYSA-N 1 1 332.404 0.416 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000937181705 609020736 /nfs/dbraw/zinc/02/07/36/609020736.db2.gz RQHWCTPZJSXTBT-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC000937730887 609044903 /nfs/dbraw/zinc/04/49/03/609044903.db2.gz GWJGLJNPJCCBDX-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC000937730887 609044907 /nfs/dbraw/zinc/04/49/07/609044907.db2.gz GWJGLJNPJCCBDX-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C[C@H]1C ZINC000947760898 611680034 /nfs/dbraw/zinc/68/00/34/611680034.db2.gz BVAYMUOYYSIFBE-ZIAGYGMSSA-N 1 1 344.419 0.436 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000936343579 609086307 /nfs/dbraw/zinc/08/63/07/609086307.db2.gz BAINJXIFDCVILK-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000936343579 609086309 /nfs/dbraw/zinc/08/63/09/609086309.db2.gz BAINJXIFDCVILK-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCC(=O)N(C)Cc1cnn(C)c1 ZINC000177592832 609086984 /nfs/dbraw/zinc/08/69/84/609086984.db2.gz RMPUAWLJUHKRIQ-CYBMUJFWSA-N 1 1 336.440 0.542 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000937842493 609116444 /nfs/dbraw/zinc/11/64/44/609116444.db2.gz XJXIONQNFBWCIB-OFQRWUPVSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nccc(C)n2)C1 ZINC000937885063 609374009 /nfs/dbraw/zinc/37/40/09/609374009.db2.gz AKWPHMROSZBBFD-GJZGRUSLSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nccc(C)n2)C1 ZINC000937885063 609374012 /nfs/dbraw/zinc/37/40/12/609374012.db2.gz AKWPHMROSZBBFD-GJZGRUSLSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CCC(O)CC2)C1 ZINC000937886690 609375367 /nfs/dbraw/zinc/37/53/67/609375367.db2.gz QAXDYVQNITUXMW-XGHPGWEVSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CCC(O)CC2)C1 ZINC000937886690 609375369 /nfs/dbraw/zinc/37/53/69/609375369.db2.gz QAXDYVQNITUXMW-XGHPGWEVSA-N 1 1 347.459 0.352 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC000937968943 609440782 /nfs/dbraw/zinc/44/07/82/609440782.db2.gz ABXUVVUBCUAUSP-ZDUSSCGKSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cscn2)C1 ZINC000938170835 609482341 /nfs/dbraw/zinc/48/23/41/609482341.db2.gz PGDSVNSXTYOGGA-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cscn2)C1 ZINC000938170835 609482343 /nfs/dbraw/zinc/48/23/43/609482343.db2.gz PGDSVNSXTYOGGA-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 ZINC000938170808 609482347 /nfs/dbraw/zinc/48/23/47/609482347.db2.gz NHOSUFSWYGVCOS-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 ZINC000938170808 609482348 /nfs/dbraw/zinc/48/23/48/609482348.db2.gz NHOSUFSWYGVCOS-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccns2)C1 ZINC000938170843 609482708 /nfs/dbraw/zinc/48/27/08/609482708.db2.gz PNHPWGCTLXZNLJ-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccns2)C1 ZINC000938170843 609482711 /nfs/dbraw/zinc/48/27/11/609482711.db2.gz PNHPWGCTLXZNLJ-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC000938173327 609487538 /nfs/dbraw/zinc/48/75/38/609487538.db2.gz OSUWTFOPDPIVHU-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC000938173327 609487541 /nfs/dbraw/zinc/48/75/41/609487541.db2.gz OSUWTFOPDPIVHU-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@@H]1C ZINC000947811232 611701249 /nfs/dbraw/zinc/70/12/49/611701249.db2.gz XUIZGOMCPIFHMR-STQMWFEESA-N 1 1 327.388 0.547 20 30 ECEDMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000908350515 609651397 /nfs/dbraw/zinc/65/13/97/609651397.db2.gz CEXQFWDHRDDSJZ-SFHVURJKSA-N 1 1 343.431 0.449 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccsc1C#N)[C@@H]1C[N@H+](C)CCN1C ZINC000919979954 609667800 /nfs/dbraw/zinc/66/78/00/609667800.db2.gz AKTUSDFKGMJAQJ-MNOVXSKESA-N 1 1 328.463 0.532 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccsc1C#N)[C@@H]1C[N@@H+](C)CCN1C ZINC000919979954 609667802 /nfs/dbraw/zinc/66/78/02/609667802.db2.gz AKTUSDFKGMJAQJ-MNOVXSKESA-N 1 1 328.463 0.532 20 30 ECEDMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)N(C)CCC#N)C2 ZINC000920282507 609678213 /nfs/dbraw/zinc/67/82/13/609678213.db2.gz RBXMXBTXZONUIU-KBUPBQIOSA-N 1 1 344.481 0.146 20 30 ECEDMO CN(C(=O)C(N)=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000948736879 611707741 /nfs/dbraw/zinc/70/77/41/611707741.db2.gz CIDBAXUSGHZGMI-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)[C@H](CCC)C(=O)OCC)CC1 ZINC000921437240 609716578 /nfs/dbraw/zinc/71/65/78/609716578.db2.gz QQSQQTXVTARQGL-CQSZACIVSA-N 1 1 330.450 0.735 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000921439786 609717059 /nfs/dbraw/zinc/71/70/59/609717059.db2.gz KCDQWEUNXIDAMJ-UHFFFAOYSA-N 1 1 346.416 0.038 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@@H]1C ZINC000948071441 609721694 /nfs/dbraw/zinc/72/16/94/609721694.db2.gz YCJYVVJTRPTBNE-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CCN(C(=O)NCC(C)(C)N1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000913997216 609842163 /nfs/dbraw/zinc/84/21/63/609842163.db2.gz JULMRLJDSRXZQJ-UHFFFAOYSA-N 1 1 349.523 0.751 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000938540383 609858378 /nfs/dbraw/zinc/85/83/78/609858378.db2.gz VYHZMPFKQNRYDX-KBPBESRZSA-N 1 1 346.435 0.089 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)NC[C@H]3CC[N@@H+]3C)CC2)c1C#N ZINC000925424495 609917887 /nfs/dbraw/zinc/91/78/87/609917887.db2.gz MCMRINBXUCDYLZ-GFCCVEGCSA-N 1 1 334.449 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000938661509 609924756 /nfs/dbraw/zinc/92/47/56/609924756.db2.gz WMEZHCGSJBDZQO-CVEARBPZSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000938661509 609924758 /nfs/dbraw/zinc/92/47/58/609924758.db2.gz WMEZHCGSJBDZQO-CVEARBPZSA-N 1 1 328.416 0.785 20 30 ECEDMO NC(=O)c1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000915942937 609928067 /nfs/dbraw/zinc/92/80/67/609928067.db2.gz UCAZBCUBTRMKHM-UHFFFAOYSA-N 1 1 349.460 0.306 20 30 ECEDMO C=CC[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C(C)C ZINC000917071268 609961405 /nfs/dbraw/zinc/96/14/05/609961405.db2.gz PWKHMQIYDSKYGD-UHFFFAOYSA-N 1 1 338.496 0.942 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC000938754803 609973135 /nfs/dbraw/zinc/97/31/35/609973135.db2.gz ONKLCCOBWCOILB-HOTGVXAUSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC000938754803 609973137 /nfs/dbraw/zinc/97/31/37/609973137.db2.gz ONKLCCOBWCOILB-HOTGVXAUSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC000938756379 609981780 /nfs/dbraw/zinc/98/17/80/609981780.db2.gz OJEKHQCTAPVFBQ-IRXDYDNUSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC000938756379 609981782 /nfs/dbraw/zinc/98/17/82/609981782.db2.gz OJEKHQCTAPVFBQ-IRXDYDNUSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccnnc2)C1 ZINC000938756815 609982448 /nfs/dbraw/zinc/98/24/48/609982448.db2.gz YQOXOZXONJIZMI-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccnnc2)C1 ZINC000938756815 609982449 /nfs/dbraw/zinc/98/24/49/609982449.db2.gz YQOXOZXONJIZMI-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C[C@@H](CNC(=O)COc1cccc(C#N)c1)CN1CC[NH+](C)CC1 ZINC000918699717 610015637 /nfs/dbraw/zinc/01/56/37/610015637.db2.gz VRQNVBSCJCACHD-HNNXBMFYSA-N 1 1 330.432 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000938989698 610063072 /nfs/dbraw/zinc/06/30/72/610063072.db2.gz YKDIUPFNESLRQM-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000938989698 610063073 /nfs/dbraw/zinc/06/30/73/610063073.db2.gz YKDIUPFNESLRQM-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000939009666 610067958 /nfs/dbraw/zinc/06/79/58/610067958.db2.gz CSTBJKAYTGDYBE-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000939009666 610067959 /nfs/dbraw/zinc/06/79/59/610067959.db2.gz CSTBJKAYTGDYBE-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3cnn(CC)n3)[C@@H](C)C2)c1 ZINC000939108846 610083609 /nfs/dbraw/zinc/08/36/09/610083609.db2.gz WCGYPJFWILOVDB-GUYCJALGSA-N 1 1 338.415 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC000939797004 610132402 /nfs/dbraw/zinc/13/24/02/610132402.db2.gz URITZLBQPPPQPW-CABCVRRESA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC000939797004 610132403 /nfs/dbraw/zinc/13/24/03/610132403.db2.gz URITZLBQPPPQPW-CABCVRRESA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC000939268572 610141421 /nfs/dbraw/zinc/14/14/21/610141421.db2.gz ZMHQEVVSQJEJLN-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC000939268572 610141422 /nfs/dbraw/zinc/14/14/22/610141422.db2.gz ZMHQEVVSQJEJLN-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000939872215 610157543 /nfs/dbraw/zinc/15/75/43/610157543.db2.gz BHMAKZJKMXBWGX-ZBFHGGJFSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000939872215 610157544 /nfs/dbraw/zinc/15/75/44/610157544.db2.gz BHMAKZJKMXBWGX-ZBFHGGJFSA-N 1 1 346.431 0.335 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000939929346 610172788 /nfs/dbraw/zinc/17/27/88/610172788.db2.gz HGEBPNSOLFNLKF-NRKLIOEPSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000939929346 610172789 /nfs/dbraw/zinc/17/27/89/610172789.db2.gz HGEBPNSOLFNLKF-NRKLIOEPSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2snnc2C)C1 ZINC000939366774 610178862 /nfs/dbraw/zinc/17/88/62/610178862.db2.gz JWNCJNGMUMONLK-OLZOCXBDSA-N 1 1 347.444 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2snnc2C)C1 ZINC000939366774 610178863 /nfs/dbraw/zinc/17/88/63/610178863.db2.gz JWNCJNGMUMONLK-OLZOCXBDSA-N 1 1 347.444 0.275 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnn(CC)n3)C2)nc1 ZINC000939555222 610233809 /nfs/dbraw/zinc/23/38/09/610233809.db2.gz MZOKDTVOVXYUFO-CXAGYDPISA-N 1 1 338.415 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000939573023 610241057 /nfs/dbraw/zinc/24/10/57/610241057.db2.gz APJOYIJOPJOYLC-CABCVRRESA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000939573023 610241059 /nfs/dbraw/zinc/24/10/59/610241059.db2.gz APJOYIJOPJOYLC-CABCVRRESA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000940571155 610299898 /nfs/dbraw/zinc/29/98/98/610299898.db2.gz DQNSIVCSICSNPV-SJORKVTESA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000940571155 610299899 /nfs/dbraw/zinc/29/98/99/610299899.db2.gz DQNSIVCSICSNPV-SJORKVTESA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCc3ccn(C)n3)CC2)C1 ZINC000941427287 610301300 /nfs/dbraw/zinc/30/13/00/610301300.db2.gz UHGYMCLQQBBNFO-UHFFFAOYSA-N 1 1 331.464 0.757 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCOC[C@H]3OC)CC2)C1 ZINC000941432500 610312896 /nfs/dbraw/zinc/31/28/96/610312896.db2.gz BJNKSZRTDZCDCB-FUHWJXTLSA-N 1 1 349.475 0.280 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCOC[C@H]3OC)CC2)C1 ZINC000941432501 610312959 /nfs/dbraw/zinc/31/29/59/610312959.db2.gz BJNKSZRTDZCDCB-SJLPKXTDSA-N 1 1 349.475 0.280 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC000941442846 610317924 /nfs/dbraw/zinc/31/79/24/610317924.db2.gz FVJWFLGCIFMUBM-SFHVURJKSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)C1 ZINC000941462829 610321341 /nfs/dbraw/zinc/32/13/41/610321341.db2.gz HJSFMAUJQHATGZ-INIZCTEOSA-N 1 1 341.459 0.297 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC000941467779 610328428 /nfs/dbraw/zinc/32/84/28/610328428.db2.gz JWQJCFGLOJHJJT-UHFFFAOYSA-N 1 1 333.411 0.318 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cccn4nccc34)CC2)C1 ZINC000941471761 610330353 /nfs/dbraw/zinc/33/03/53/610330353.db2.gz KNUUBTMDECRUQC-UHFFFAOYSA-N 1 1 325.416 0.962 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940693539 610333446 /nfs/dbraw/zinc/33/34/46/610333446.db2.gz WQVGTIOXHOSCAN-SMDDNHRTSA-N 1 1 331.420 0.851 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC2)C1 ZINC000941479935 610335056 /nfs/dbraw/zinc/33/50/56/610335056.db2.gz BRLFVPBBPJBLCH-HNNXBMFYSA-N 1 1 349.479 0.182 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ncc4ccccn43)CC2)C1 ZINC000941484798 610337449 /nfs/dbraw/zinc/33/74/49/610337449.db2.gz HOIOJHMYVKUHMY-UHFFFAOYSA-N 1 1 325.416 0.962 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC000941487612 610338810 /nfs/dbraw/zinc/33/88/10/610338810.db2.gz OSSCYRZXXCUHRT-UHFFFAOYSA-N 1 1 328.416 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000940712474 610340885 /nfs/dbraw/zinc/34/08/85/610340885.db2.gz UPNKWEIQEWZHDA-BMFZPTHFSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3ccn(C(C)C)n3)CC2)C1 ZINC000941496833 610343106 /nfs/dbraw/zinc/34/31/06/610343106.db2.gz XFWGBLAGFOFHMZ-UHFFFAOYSA-N 1 1 343.475 0.858 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N[C@H](CC)C3)CC2)C1 ZINC000941499116 610343899 /nfs/dbraw/zinc/34/38/99/610343899.db2.gz NKZBZADHPNSSIK-HZPDHXFCSA-N 1 1 348.491 0.696 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cn(CCOC)nn2)C(C)(C)C1 ZINC000940734331 610350125 /nfs/dbraw/zinc/35/01/25/610350125.db2.gz YPEGVUZIPLBMJQ-HNNXBMFYSA-N 1 1 333.436 0.778 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000940785229 610360546 /nfs/dbraw/zinc/36/05/46/610360546.db2.gz HWCSSZJSYGRSAS-AWEZNQCLSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)CC2)C1 ZINC000941531915 610363471 /nfs/dbraw/zinc/36/34/71/610363471.db2.gz KAZUWYZDBNBRPZ-KRWDZBQOSA-N 1 1 348.491 0.790 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c[nH]c(=O)cc3OC)CC2)C1 ZINC000941568427 610377545 /nfs/dbraw/zinc/37/75/45/610377545.db2.gz MFYRGKCDKLIMRC-UHFFFAOYSA-N 1 1 344.415 0.261 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C(C)(C)C1 ZINC000940842721 610396105 /nfs/dbraw/zinc/39/61/05/610396105.db2.gz NHZSPTNDZOYBHQ-OAHLLOKOSA-N 1 1 328.416 0.573 20 30 ECEDMO C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC000941601794 610402139 /nfs/dbraw/zinc/40/21/39/610402139.db2.gz YUCQKMNUKNGQRV-HNNXBMFYSA-N 1 1 331.464 0.993 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2OCC(N)=O)[C@@H](C)C1 ZINC000942369231 610418201 /nfs/dbraw/zinc/41/82/01/610418201.db2.gz XSYZKNYPYKAACK-DZGCQCFKSA-N 1 1 329.400 0.624 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940892496 610419192 /nfs/dbraw/zinc/41/91/92/610419192.db2.gz FGJIFWPEFHXWGQ-CQSZACIVSA-N 1 1 343.493 0.815 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cccn4c(=O)[nH]nc34)CC2)C1 ZINC000941639727 610424660 /nfs/dbraw/zinc/42/46/60/610424660.db2.gz XIEPBFNOENZFLU-UHFFFAOYSA-N 1 1 342.403 0.063 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000940917880 610440240 /nfs/dbraw/zinc/44/02/40/610440240.db2.gz DQVXIGUZKRZHRM-KBPBESRZSA-N 1 1 343.418 0.802 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](C)C1 ZINC000942494973 610480887 /nfs/dbraw/zinc/48/08/87/610480887.db2.gz DAPDIEKUERMLRR-CABCVRRESA-N 1 1 343.493 0.815 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2n[nH]cc2C)CC1 ZINC000940990618 610485229 /nfs/dbraw/zinc/48/52/29/610485229.db2.gz YFOROJKGSBBDKY-HNNXBMFYSA-N 1 1 343.431 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2n[nH]cc2C)CC1 ZINC000940990618 610485230 /nfs/dbraw/zinc/48/52/30/610485230.db2.gz YFOROJKGSBBDKY-HNNXBMFYSA-N 1 1 343.431 0.490 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](C)C1 ZINC000942530799 610501610 /nfs/dbraw/zinc/50/16/10/610501610.db2.gz VXGLCVNNDJQARE-GXTWGEPZSA-N 1 1 325.376 0.131 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](C)C1 ZINC000942542875 610506078 /nfs/dbraw/zinc/50/60/78/610506078.db2.gz LVKNMNMOICEPEI-HUUCEWRRSA-N 1 1 343.431 0.899 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562145 610517864 /nfs/dbraw/zinc/51/78/64/610517864.db2.gz IBBUCCYUYZHKSB-IUODEOHRSA-N 1 1 339.403 0.722 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562145 610517867 /nfs/dbraw/zinc/51/78/67/610517867.db2.gz IBBUCCYUYZHKSB-IUODEOHRSA-N 1 1 339.403 0.722 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941088236 610530437 /nfs/dbraw/zinc/53/04/37/610530437.db2.gz WOYPJGSUUYZHDM-GXTWGEPZSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941088236 610530439 /nfs/dbraw/zinc/53/04/39/610530439.db2.gz WOYPJGSUUYZHDM-GXTWGEPZSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H](C)C1 ZINC000942615292 610538277 /nfs/dbraw/zinc/53/82/77/610538277.db2.gz HGGXSRMYFWLFHZ-JQWIXIFHSA-N 1 1 341.437 0.073 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000941883602 610541869 /nfs/dbraw/zinc/54/18/69/610541869.db2.gz SIUNTCWCAJPXST-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941125097 610554778 /nfs/dbraw/zinc/55/47/78/610554778.db2.gz ZXVLNNSWTYJPJL-CQSZACIVSA-N 1 1 346.431 0.979 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000948381470 610561851 /nfs/dbraw/zinc/56/18/51/610561851.db2.gz PCZDJNHVFCMJRC-ZDUSSCGKSA-N 1 1 334.424 0.266 20 30 ECEDMO C[C@H]1C[N@@H+](CCN2CCCC2=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929371 610566883 /nfs/dbraw/zinc/56/68/83/610566883.db2.gz LLRDFXXSTJYJPB-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931072 610568258 /nfs/dbraw/zinc/56/82/58/610568258.db2.gz WZPDLHNKENYKMM-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000941148329 610573517 /nfs/dbraw/zinc/57/35/17/610573517.db2.gz OKQUHWXNNLFVMK-ZDUSSCGKSA-N 1 1 334.420 0.168 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)CC2(C)C)nc1 ZINC000941169734 610583457 /nfs/dbraw/zinc/58/34/57/610583457.db2.gz ROMPZLMZCWHJII-IUODEOHRSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)nc1 ZINC000941169734 610583459 /nfs/dbraw/zinc/58/34/59/610583459.db2.gz ROMPZLMZCWHJII-IUODEOHRSA-N 1 1 328.416 0.767 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000941190532 610585400 /nfs/dbraw/zinc/58/54/00/610585400.db2.gz DIVKZFXZJYRGGZ-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000942744944 610595846 /nfs/dbraw/zinc/59/58/46/610595846.db2.gz QYUYEEBKWPATHB-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCn2cccn2)C1 ZINC000941238305 610621963 /nfs/dbraw/zinc/62/19/63/610621963.db2.gz YBLFCXBLSLKYON-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCn2cccn2)C1 ZINC000941238305 610621965 /nfs/dbraw/zinc/62/19/65/610621965.db2.gz YBLFCXBLSLKYON-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1OC ZINC000942120641 610659220 /nfs/dbraw/zinc/65/92/20/610659220.db2.gz MRDJYBUPAWSMRB-IXDOHACOSA-N 1 1 347.459 0.616 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](C)C1 ZINC000942893540 610669772 /nfs/dbraw/zinc/66/97/72/610669772.db2.gz KNQCPFFXQNUKPR-ZFWWWQNUSA-N 1 1 328.416 0.952 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000942186823 610688452 /nfs/dbraw/zinc/68/84/52/610688452.db2.gz AILQGQCFPKTRHH-ZYHUDNBSSA-N 1 1 325.390 0.000 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000942186820 610688488 /nfs/dbraw/zinc/68/84/88/610688488.db2.gz AILQGQCFPKTRHH-CMPLNLGQSA-N 1 1 325.390 0.000 20 30 ECEDMO Cn1nccc1CC[NH+]1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000941407936 610722283 /nfs/dbraw/zinc/72/22/83/610722283.db2.gz ZOTQCVXUHIJBFD-UHFFFAOYSA-N 1 1 341.459 0.204 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408612 610722483 /nfs/dbraw/zinc/72/24/83/610722483.db2.gz NBAHOPNMVCUHNJ-ZWKOTPCHSA-N 1 1 344.503 0.713 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccnc3nc(C)nn32)[C@@H](C)C1 ZINC000944134339 610751192 /nfs/dbraw/zinc/75/11/92/610751192.db2.gz CUAMIFANUVAJFV-GXTWGEPZSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cccnn1 ZINC000944231812 610800038 /nfs/dbraw/zinc/80/00/38/610800038.db2.gz BNCHYNGSMACJRW-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cccnn1 ZINC000944231812 610800039 /nfs/dbraw/zinc/80/00/39/610800039.db2.gz BNCHYNGSMACJRW-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC000944385802 610854433 /nfs/dbraw/zinc/85/44/33/610854433.db2.gz ZTTKHRVRHXOPCA-CABCVRRESA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000944415629 610858076 /nfs/dbraw/zinc/85/80/76/610858076.db2.gz BIKTWYGCZWGAJK-LSDHHAIUSA-N 1 1 332.448 0.939 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C[C@H]2C)nn1 ZINC000943498320 610884291 /nfs/dbraw/zinc/88/42/91/610884291.db2.gz OYCBTXRMWMSMQY-CHWSQXEVSA-N 1 1 334.424 0.040 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C[C@H]2C)nn1 ZINC000943498320 610884294 /nfs/dbraw/zinc/88/42/94/610884294.db2.gz OYCBTXRMWMSMQY-CHWSQXEVSA-N 1 1 334.424 0.040 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](C)C1 ZINC000943546133 610894092 /nfs/dbraw/zinc/89/40/92/610894092.db2.gz ARGSZYRRUKEYRD-CABZTGNLSA-N 1 1 327.812 0.618 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](C)C1 ZINC000943546133 610894094 /nfs/dbraw/zinc/89/40/94/610894094.db2.gz ARGSZYRRUKEYRD-CABZTGNLSA-N 1 1 327.812 0.618 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H](C)C1 ZINC000943647742 610928124 /nfs/dbraw/zinc/92/81/24/610928124.db2.gz QTVQGDJZJXNDTH-SMDDNHRTSA-N 1 1 329.404 0.957 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 ZINC000943672952 610936593 /nfs/dbraw/zinc/93/65/93/610936593.db2.gz ATPNLLLLGKBJEK-KOLCDFICSA-N 1 1 328.800 0.117 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 ZINC000943672952 610936595 /nfs/dbraw/zinc/93/65/95/610936595.db2.gz ATPNLLLLGKBJEK-KOLCDFICSA-N 1 1 328.800 0.117 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cscn2)CC1 ZINC000945237677 610976660 /nfs/dbraw/zinc/97/66/60/610976660.db2.gz XCWLKUJRUBVJFI-HNNXBMFYSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cscn2)CC1 ZINC000945237677 610976661 /nfs/dbraw/zinc/97/66/61/610976661.db2.gz XCWLKUJRUBVJFI-HNNXBMFYSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@@H](C)C1 ZINC000944621593 611018423 /nfs/dbraw/zinc/01/84/23/611018423.db2.gz XMWYMXVULHQRJC-FZMZJTMJSA-N 1 1 326.404 0.815 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C[C@@H]1CCOC1 ZINC000943927290 611044062 /nfs/dbraw/zinc/04/40/62/611044062.db2.gz XQHXEMZAYRVUNF-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C[C@@H]1CCOC1 ZINC000943927290 611044064 /nfs/dbraw/zinc/04/40/64/611044064.db2.gz XQHXEMZAYRVUNF-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)/C(C)=C\C)CCO1 ZINC000944644235 611049735 /nfs/dbraw/zinc/04/97/35/611049735.db2.gz BVXMMSHNVPOGDW-BTOPGYKJSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)/C(C)=C\C)CCO1 ZINC000944644235 611049738 /nfs/dbraw/zinc/04/97/38/611049738.db2.gz BVXMMSHNVPOGDW-BTOPGYKJSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC(C)(C)C)CCO1 ZINC000944645871 611054854 /nfs/dbraw/zinc/05/48/54/611054854.db2.gz CLFNPGFZYRMUGA-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC(C)(C)C)CCO1 ZINC000944645871 611054857 /nfs/dbraw/zinc/05/48/57/611054857.db2.gz CLFNPGFZYRMUGA-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@H]2CC2(C)C)CCO1 ZINC000944646243 611055186 /nfs/dbraw/zinc/05/51/86/611055186.db2.gz GRAGLSXHKJRFMZ-XHSDSOJGSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@H]2CC2(C)C)CCO1 ZINC000944646243 611055188 /nfs/dbraw/zinc/05/51/88/611055188.db2.gz GRAGLSXHKJRFMZ-XHSDSOJGSA-N 1 1 347.459 0.474 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 ZINC000944652270 611060110 /nfs/dbraw/zinc/06/01/10/611060110.db2.gz HSAUNWIIVCVANU-STQMWFEESA-N 1 1 336.436 0.720 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](C)C1 ZINC000944033166 611097464 /nfs/dbraw/zinc/09/74/64/611097464.db2.gz JVBAOHIGZBGART-GJZGRUSLSA-N 1 1 345.447 0.231 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)cn1 ZINC000946864055 611205967 /nfs/dbraw/zinc/20/59/67/611205967.db2.gz RETRPWLWMYNZFD-GASCZTMLSA-N 1 1 326.400 0.332 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC[C@@H]2C1 ZINC000946884990 611225109 /nfs/dbraw/zinc/22/51/09/611225109.db2.gz UNIKKHRAPROQHS-QLFBSQMISA-N 1 1 346.431 0.168 20 30 ECEDMO C#C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)C1CCOCC1 ZINC000923327146 611230106 /nfs/dbraw/zinc/23/01/06/611230106.db2.gz QAPDUHLTPMQYOB-IAGOWNOFSA-N 1 1 335.448 0.967 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000923343778 611231918 /nfs/dbraw/zinc/23/19/18/611231918.db2.gz AMLIZKOXVZVZTF-MSOLQXFVSA-N 1 1 344.459 0.486 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000923343778 611231919 /nfs/dbraw/zinc/23/19/19/611231919.db2.gz AMLIZKOXVZVZTF-MSOLQXFVSA-N 1 1 344.459 0.486 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000923412545 611240651 /nfs/dbraw/zinc/24/06/51/611240651.db2.gz ZSMNYGXGMFFTSI-HOTGVXAUSA-N 1 1 331.416 0.953 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000923412545 611240652 /nfs/dbraw/zinc/24/06/52/611240652.db2.gz ZSMNYGXGMFFTSI-HOTGVXAUSA-N 1 1 331.416 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 ZINC000923550907 611260832 /nfs/dbraw/zinc/26/08/32/611260832.db2.gz GTZWDYSFSWCMGP-UONOGXRCSA-N 1 1 339.436 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 ZINC000923550907 611260833 /nfs/dbraw/zinc/26/08/33/611260833.db2.gz GTZWDYSFSWCMGP-UONOGXRCSA-N 1 1 339.436 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)C1 ZINC000923560492 611261593 /nfs/dbraw/zinc/26/15/93/611261593.db2.gz COXLWSUHHCUFRT-QAPCUYQASA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)C1 ZINC000923560492 611261595 /nfs/dbraw/zinc/26/15/95/611261595.db2.gz COXLWSUHHCUFRT-QAPCUYQASA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CN3CCOCC3)cn2)C1 ZINC000923561732 611262643 /nfs/dbraw/zinc/26/26/43/611262643.db2.gz KJJYXCNTEIFZAN-QGZVFWFLSA-N 1 1 342.443 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CN3CCOCC3)cn2)C1 ZINC000923561732 611262644 /nfs/dbraw/zinc/26/26/44/611262644.db2.gz KJJYXCNTEIFZAN-QGZVFWFLSA-N 1 1 342.443 0.741 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2F)C1 ZINC000923562893 611263249 /nfs/dbraw/zinc/26/32/49/611263249.db2.gz NXTVVRDYVYXJKD-LLVKDONJSA-N 1 1 339.392 0.301 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2F)C1 ZINC000923562893 611263252 /nfs/dbraw/zinc/26/32/52/611263252.db2.gz NXTVVRDYVYXJKD-LLVKDONJSA-N 1 1 339.392 0.301 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3sc(C)cn3c2=O)C1 ZINC000923563905 611263316 /nfs/dbraw/zinc/26/33/16/611263316.db2.gz ZKJHVGAPFGAUHQ-LBPRGKRZSA-N 1 1 330.413 0.892 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3sc(C)cn3c2=O)C1 ZINC000923563905 611263317 /nfs/dbraw/zinc/26/33/17/611263317.db2.gz ZKJHVGAPFGAUHQ-LBPRGKRZSA-N 1 1 330.413 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c(C)c2)C1 ZINC000923578468 611266883 /nfs/dbraw/zinc/26/68/83/611266883.db2.gz GKRXYGIDVQFFNZ-CQSZACIVSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c(C)c2)C1 ZINC000923578468 611266884 /nfs/dbraw/zinc/26/68/84/611266884.db2.gz GKRXYGIDVQFFNZ-CQSZACIVSA-N 1 1 335.429 0.470 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2CC1 ZINC000946521033 611298651 /nfs/dbraw/zinc/29/86/51/611298651.db2.gz FHDNKHDXJUEBJU-MELADBBJSA-N 1 1 327.450 0.361 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@H]2CC1 ZINC000946521663 611299666 /nfs/dbraw/zinc/29/96/66/611299666.db2.gz YTVORNQYXVJYHF-MELADBBJSA-N 1 1 343.435 0.838 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@H]2CC1 ZINC000946521663 611299667 /nfs/dbraw/zinc/29/96/67/611299667.db2.gz YTVORNQYXVJYHF-MELADBBJSA-N 1 1 343.435 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C ZINC000947881302 611730737 /nfs/dbraw/zinc/73/07/37/611730737.db2.gz ZWBATBIUDXGSKY-KFWWJZLASA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C ZINC000947881302 611730738 /nfs/dbraw/zinc/73/07/38/611730738.db2.gz ZWBATBIUDXGSKY-KFWWJZLASA-N 1 1 343.431 0.094 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630968 611736505 /nfs/dbraw/zinc/73/65/05/611736505.db2.gz WXZSMAWJPBVFTM-MSOLQXFVSA-N 1 1 333.432 0.871 20 30 ECEDMO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1CCC(C#N)CC1 ZINC000929207476 611737477 /nfs/dbraw/zinc/73/74/77/611737477.db2.gz LGCMCJSIUCJGQM-YMAMQOFZSA-N 1 1 341.477 0.942 20 30 ECEDMO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1CCC(C#N)CC1 ZINC000929207476 611737479 /nfs/dbraw/zinc/73/74/79/611737479.db2.gz LGCMCJSIUCJGQM-YMAMQOFZSA-N 1 1 341.477 0.942 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933652828 611739010 /nfs/dbraw/zinc/73/90/10/611739010.db2.gz SFWPNMJQLYQNOP-KBPBESRZSA-N 1 1 349.431 0.437 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)C[C@@]2(O)CCOC2)c1 ZINC000929289440 611742926 /nfs/dbraw/zinc/74/29/26/611742926.db2.gz CCUWBXHCQBESSA-WMZOPIPTSA-N 1 1 332.400 0.441 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)C[C@@]2(O)CCOC2)c1 ZINC000929289440 611742929 /nfs/dbraw/zinc/74/29/29/611742929.db2.gz CCUWBXHCQBESSA-WMZOPIPTSA-N 1 1 332.400 0.441 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934274306 611784824 /nfs/dbraw/zinc/78/48/24/611784824.db2.gz ODIFLIMGJLCUTK-KURKYZTESA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934274306 611784826 /nfs/dbraw/zinc/78/48/26/611784826.db2.gz ODIFLIMGJLCUTK-KURKYZTESA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934274306 611784828 /nfs/dbraw/zinc/78/48/28/611784828.db2.gz ODIFLIMGJLCUTK-KURKYZTESA-N 1 1 345.443 0.829 20 30 ECEDMO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000948985329 611785788 /nfs/dbraw/zinc/78/57/88/611785788.db2.gz CNLWOKDIYFRQEB-JKSUJKDBSA-N 1 1 349.456 0.580 20 30 ECEDMO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000948985329 611785790 /nfs/dbraw/zinc/78/57/90/611785790.db2.gz CNLWOKDIYFRQEB-JKSUJKDBSA-N 1 1 349.456 0.580 20 30 ECEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000934464021 611801637 /nfs/dbraw/zinc/80/16/37/611801637.db2.gz AVMZMQJIPSOYDC-CQSZACIVSA-N 1 1 331.482 0.813 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccsn2)C1 ZINC000950648379 611816834 /nfs/dbraw/zinc/81/68/34/611816834.db2.gz MEDAIFGKMCJQII-YUELXQCFSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccsn2)C1 ZINC000950648379 611816837 /nfs/dbraw/zinc/81/68/37/611816837.db2.gz MEDAIFGKMCJQII-YUELXQCFSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000949997347 611838261 /nfs/dbraw/zinc/83/82/61/611838261.db2.gz SXFQMDYVZLRAEB-ZBFHGGJFSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000949997347 611838262 /nfs/dbraw/zinc/83/82/62/611838262.db2.gz SXFQMDYVZLRAEB-ZBFHGGJFSA-N 1 1 328.416 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)nc1 ZINC000950074352 611857981 /nfs/dbraw/zinc/85/79/81/611857981.db2.gz OBABETGKNNIFDO-CABCVRRESA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[NH+]1CCC2(CC1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)CCO2 ZINC000949141493 611871730 /nfs/dbraw/zinc/87/17/30/611871730.db2.gz FCXQAAURBCACCL-UHFFFAOYSA-N 1 1 345.399 0.324 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ncoc1C ZINC000950754989 611890038 /nfs/dbraw/zinc/89/00/38/611890038.db2.gz AXXTUXKXWMSCGC-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ncoc1C ZINC000950754989 611890041 /nfs/dbraw/zinc/89/00/41/611890041.db2.gz AXXTUXKXWMSCGC-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)n(C)n1 ZINC000950754783 611890325 /nfs/dbraw/zinc/89/03/25/611890325.db2.gz YVYZTJRXHLWLAC-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)n(C)n1 ZINC000950754783 611890327 /nfs/dbraw/zinc/89/03/27/611890327.db2.gz YVYZTJRXHLWLAC-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1csc(=O)[nH]1 ZINC000950755085 611890737 /nfs/dbraw/zinc/89/07/37/611890737.db2.gz CWPLYDAUQJHMLY-AAEUAGOBSA-N 1 1 348.428 0.277 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1csc(=O)[nH]1 ZINC000950755085 611890739 /nfs/dbraw/zinc/89/07/39/611890739.db2.gz CWPLYDAUQJHMLY-AAEUAGOBSA-N 1 1 348.428 0.277 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1(C2CC2)CC1 ZINC000950755685 611891375 /nfs/dbraw/zinc/89/13/75/611891375.db2.gz RJPFWFXTWJFJPP-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1(C2CC2)CC1 ZINC000950755685 611891376 /nfs/dbraw/zinc/89/13/76/611891376.db2.gz RJPFWFXTWJFJPP-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ocnc1CC ZINC000950755973 611891967 /nfs/dbraw/zinc/89/19/67/611891967.db2.gz YXLHRRMNVQQIJU-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ocnc1CC ZINC000950755973 611891968 /nfs/dbraw/zinc/89/19/68/611891968.db2.gz YXLHRRMNVQQIJU-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ncoc1CC ZINC000949182755 611892224 /nfs/dbraw/zinc/89/22/24/611892224.db2.gz AFRHJXXSMNZADU-KGLIPLIRSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ncoc1CC ZINC000949182755 611892225 /nfs/dbraw/zinc/89/22/25/611892225.db2.gz AFRHJXXSMNZADU-KGLIPLIRSA-N 1 1 344.415 0.665 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949299235 611931890 /nfs/dbraw/zinc/93/18/90/611931890.db2.gz VORQXZKSYNOBNN-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000950863239 611952155 /nfs/dbraw/zinc/95/21/55/611952155.db2.gz SGKGASIJMCOGID-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370416 611954693 /nfs/dbraw/zinc/95/46/93/611954693.db2.gz RFHCMXZMMOKECI-SJORKVTESA-N 1 1 347.459 0.176 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395563 611963441 /nfs/dbraw/zinc/96/34/41/611963441.db2.gz VDGGIAZGBPBULL-GOSISDBHSA-N 1 1 347.459 0.619 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395563 611963443 /nfs/dbraw/zinc/96/34/43/611963443.db2.gz VDGGIAZGBPBULL-GOSISDBHSA-N 1 1 347.459 0.619 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000949451987 611985745 /nfs/dbraw/zinc/98/57/45/611985745.db2.gz DNFKARCBYORQMP-CQSZACIVSA-N 1 1 343.431 0.949 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949452691 611986648 /nfs/dbraw/zinc/98/66/48/611986648.db2.gz NTGCUIMIHQXCLX-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCOC3(CCN(C(=O)C(N)=O)CC3)C2)c1 ZINC000949458542 611988022 /nfs/dbraw/zinc/98/80/22/611988022.db2.gz GONSPGOABJZJJK-UHFFFAOYSA-N 1 1 342.399 0.237 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCOC3(CCN(C(=O)C(N)=O)CC3)C2)c1 ZINC000949458542 611988024 /nfs/dbraw/zinc/98/80/24/611988024.db2.gz GONSPGOABJZJJK-UHFFFAOYSA-N 1 1 342.399 0.237 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC000949472655 611992373 /nfs/dbraw/zinc/99/23/73/611992373.db2.gz LKFQORJKDPTOLK-CABCVRRESA-N 1 1 335.448 0.767 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)Cn3nc(C)ccc3=O)CC2)C1 ZINC000949515209 612017718 /nfs/dbraw/zinc/01/77/18/612017718.db2.gz FLTCYEGSYAIQHC-UHFFFAOYSA-N 1 1 346.431 0.431 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)Cn3nc(C)ccc3=O)CC2)C1 ZINC000949515209 612017719 /nfs/dbraw/zinc/01/77/19/612017719.db2.gz FLTCYEGSYAIQHC-UHFFFAOYSA-N 1 1 346.431 0.431 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnnc(C)c1 ZINC000949596180 612038192 /nfs/dbraw/zinc/03/81/92/612038192.db2.gz VNHDLLOGKGKOHG-HOTGVXAUSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnnc(C)c1 ZINC000949596180 612038195 /nfs/dbraw/zinc/03/81/95/612038195.db2.gz VNHDLLOGKGKOHG-HOTGVXAUSA-N 1 1 341.415 0.213 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000950517062 612049365 /nfs/dbraw/zinc/04/93/65/612049365.db2.gz GGBZUFQYAFQDDI-AWEZNQCLSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000949729221 612069951 /nfs/dbraw/zinc/06/99/51/612069951.db2.gz LAXBXIMJTFSSCU-RDJZCZTQSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000949729221 612069953 /nfs/dbraw/zinc/06/99/53/612069953.db2.gz LAXBXIMJTFSSCU-RDJZCZTQSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC000951223262 612087703 /nfs/dbraw/zinc/08/77/03/612087703.db2.gz BQYIBZDHPMBXBT-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC000951223262 612087705 /nfs/dbraw/zinc/08/77/05/612087705.db2.gz BQYIBZDHPMBXBT-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000951223778 612088417 /nfs/dbraw/zinc/08/84/17/612088417.db2.gz POMQNVFNIGMHRA-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000951223778 612088419 /nfs/dbraw/zinc/08/84/19/612088419.db2.gz POMQNVFNIGMHRA-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000951223832 612088757 /nfs/dbraw/zinc/08/87/57/612088757.db2.gz QSLIUFXRJJWXSZ-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000951223832 612088758 /nfs/dbraw/zinc/08/87/58/612088758.db2.gz QSLIUFXRJJWXSZ-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cocn2)C1 ZINC000951224058 612089026 /nfs/dbraw/zinc/08/90/26/612089026.db2.gz XGGCMNCXYPWGGP-ZFWWWQNUSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cocn2)C1 ZINC000951224058 612089028 /nfs/dbraw/zinc/08/90/28/612089028.db2.gz XGGCMNCXYPWGGP-ZFWWWQNUSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cn(CC)cn1 ZINC000951248375 612102789 /nfs/dbraw/zinc/10/27/89/612102789.db2.gz NHNHEYYDZPTUJE-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cn(CC)cn1 ZINC000951248375 612102790 /nfs/dbraw/zinc/10/27/90/612102790.db2.gz NHNHEYYDZPTUJE-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)C[N@H+](C)C2CCC2)c1 ZINC000952014065 612176828 /nfs/dbraw/zinc/17/68/28/612176828.db2.gz DUKPELZMSGLMEC-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000951374171 612189656 /nfs/dbraw/zinc/18/96/56/612189656.db2.gz CRDKBIXHJWTPMG-CQSZACIVSA-N 1 1 340.387 0.812 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000955337493 612456361 /nfs/dbraw/zinc/45/63/61/612456361.db2.gz NXTCMJUUPBSHEA-GFCCVEGCSA-N 1 1 329.404 0.653 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000955339411 612459388 /nfs/dbraw/zinc/45/93/88/612459388.db2.gz BEVLWDDRYJHGCV-UHFFFAOYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cocc2C)C1 ZINC000954630726 612468663 /nfs/dbraw/zinc/46/86/63/612468663.db2.gz HKYYLTWFANESTI-INIZCTEOSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cocc2C)C1 ZINC000954630726 612468664 /nfs/dbraw/zinc/46/86/64/612468664.db2.gz HKYYLTWFANESTI-INIZCTEOSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC2(O)CCC2)C1 ZINC000954631093 612469343 /nfs/dbraw/zinc/46/93/43/612469343.db2.gz OUDDNUVONHDWKG-HNNXBMFYSA-N 1 1 333.432 0.058 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC2(O)CCC2)C1 ZINC000954631093 612469347 /nfs/dbraw/zinc/46/93/47/612469347.db2.gz OUDDNUVONHDWKG-HNNXBMFYSA-N 1 1 333.432 0.058 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2=CCOCC2)C1 ZINC000954631100 612469648 /nfs/dbraw/zinc/46/96/48/612469648.db2.gz OYDQUDYLNSIVIV-INIZCTEOSA-N 1 1 331.416 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2=CCOCC2)C1 ZINC000954631100 612469649 /nfs/dbraw/zinc/46/96/49/612469649.db2.gz OYDQUDYLNSIVIV-INIZCTEOSA-N 1 1 331.416 0.100 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000955348772 612479968 /nfs/dbraw/zinc/47/99/68/612479968.db2.gz CSVGJGSTOGHSAK-BXUZGUMPSA-N 1 1 329.404 0.367 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000956775475 612514245 /nfs/dbraw/zinc/51/42/45/612514245.db2.gz LNTDOYUCNCOTQO-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccoc2C)C1 ZINC000953681700 612520155 /nfs/dbraw/zinc/52/01/55/612520155.db2.gz DWPFIRLMCRBNQT-INIZCTEOSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccoc2C)C1 ZINC000953681700 612520159 /nfs/dbraw/zinc/52/01/59/612520159.db2.gz DWPFIRLMCRBNQT-INIZCTEOSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ncccc2C)C1 ZINC000954004866 612540544 /nfs/dbraw/zinc/54/05/44/612540544.db2.gz YBPWXFYZSBZJSS-INIZCTEOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ncccc2C)C1 ZINC000954004866 612540545 /nfs/dbraw/zinc/54/05/45/612540545.db2.gz YBPWXFYZSBZJSS-INIZCTEOSA-N 1 1 340.427 0.770 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC000956007349 612601124 /nfs/dbraw/zinc/60/11/24/612601124.db2.gz ZOMXPCIPJFHJMV-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC000956007349 612601128 /nfs/dbraw/zinc/60/11/28/612601128.db2.gz ZOMXPCIPJFHJMV-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956842666 612617339 /nfs/dbraw/zinc/61/73/39/612617339.db2.gz JZKYFNFQDCLZLB-UGSOOPFHSA-N 1 1 343.431 0.949 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954106826 612669900 /nfs/dbraw/zinc/66/99/00/612669900.db2.gz KDIAQISTAGGHQM-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954108391 612671876 /nfs/dbraw/zinc/67/18/76/612671876.db2.gz YHOWYAOTRGBRRD-XHDPSFHLSA-N 1 1 329.404 0.367 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954317840 612846510 /nfs/dbraw/zinc/84/65/10/612846510.db2.gz AIXXMCBEXYCQPV-IMJJTQAJSA-N 1 1 335.448 0.589 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000956375373 612861765 /nfs/dbraw/zinc/86/17/65/612861765.db2.gz QRHQVTDMWAGLMK-CQSZACIVSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000954408102 612895909 /nfs/dbraw/zinc/89/59/09/612895909.db2.gz XAUFHKGRPQCDDR-BXUZGUMPSA-N 1 1 329.404 0.509 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC001098215445 735294796 /nfs/dbraw/zinc/29/47/96/735294796.db2.gz NVAAFBWAFYLSSA-ZFWWWQNUSA-N 1 1 346.435 0.683 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000971894687 735334016 /nfs/dbraw/zinc/33/40/16/735334016.db2.gz BDUIZBGIJFSGBZ-LBPRGKRZSA-N 1 1 327.812 0.811 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000971894687 735334020 /nfs/dbraw/zinc/33/40/20/735334020.db2.gz BDUIZBGIJFSGBZ-LBPRGKRZSA-N 1 1 327.812 0.811 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC001041786185 782203311 /nfs/dbraw/zinc/20/33/11/782203311.db2.gz RRKQWSDZLKEIEQ-GOSISDBHSA-N 1 1 348.447 0.771 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1nnc(C)o1 ZINC001024987845 738462372 /nfs/dbraw/zinc/46/23/72/738462372.db2.gz WUAGRQGPYJORNF-CVEARBPZSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1nnc(C)o1 ZINC001024987845 738462373 /nfs/dbraw/zinc/46/23/73/738462373.db2.gz WUAGRQGPYJORNF-CVEARBPZSA-N 1 1 345.447 0.946 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCC4)[C@H]2C1 ZINC001083276294 738516402 /nfs/dbraw/zinc/51/64/02/738516402.db2.gz WKMWEFAFWHUAMM-DLBZAZTESA-N 1 1 341.411 0.824 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCC4)[C@H]2C1 ZINC001083276294 738516405 /nfs/dbraw/zinc/51/64/05/738516405.db2.gz WKMWEFAFWHUAMM-DLBZAZTESA-N 1 1 341.411 0.824 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC000969138748 731515952 /nfs/dbraw/zinc/51/59/52/731515952.db2.gz ANRVPYGGKLZHLN-CYBMUJFWSA-N 1 1 329.404 0.573 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cn(C)ccc2=O)[C@@H](n2ccnn2)C1 ZINC001069974615 790267603 /nfs/dbraw/zinc/26/76/03/790267603.db2.gz HSNKEYYAXBEKPU-CABCVRRESA-N 1 1 342.403 0.208 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)ccc2=O)[C@@H](n2ccnn2)C1 ZINC001069974615 790267604 /nfs/dbraw/zinc/26/76/04/790267604.db2.gz HSNKEYYAXBEKPU-CABCVRRESA-N 1 1 342.403 0.208 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC000969148061 731531315 /nfs/dbraw/zinc/53/13/15/731531315.db2.gz OLYJULPCXBXDNM-DLBZAZTESA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC000969156221 731535616 /nfs/dbraw/zinc/53/56/16/731535616.db2.gz MVOSCFVCVWDNNV-ZDUSSCGKSA-N 1 1 334.424 0.314 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N ZINC001125279639 731560989 /nfs/dbraw/zinc/56/09/89/731560989.db2.gz KVPCJFRQBPRJCC-KGLIPLIRSA-N 1 1 346.435 0.088 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nc1 ZINC001125279731 731565912 /nfs/dbraw/zinc/56/59/12/731565912.db2.gz NQPHWVVVXWLGNX-RHSMWYFYSA-N 1 1 345.447 0.693 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(C)cncc2C)[C@@H](n2ccnn2)C1 ZINC001069977886 790270547 /nfs/dbraw/zinc/27/05/47/790270547.db2.gz LOYVSHOTSMMQEC-CVEARBPZSA-N 1 1 338.415 0.969 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)cncc2C)[C@@H](n2ccnn2)C1 ZINC001069977886 790270552 /nfs/dbraw/zinc/27/05/52/790270552.db2.gz LOYVSHOTSMMQEC-CVEARBPZSA-N 1 1 338.415 0.969 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000969302791 731693682 /nfs/dbraw/zinc/69/36/82/731693682.db2.gz FWSYEGDBTGVNRL-XPABHHOTSA-N 1 1 334.420 0.067 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000969302791 731693683 /nfs/dbraw/zinc/69/36/83/731693683.db2.gz FWSYEGDBTGVNRL-XPABHHOTSA-N 1 1 334.420 0.067 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3nnn(C)c32)C1 ZINC001211497889 731733980 /nfs/dbraw/zinc/73/39/80/731733980.db2.gz RZWROSNZRNOAPB-CZUORRHYSA-N 1 1 341.415 0.668 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@]2(C)CCC(=O)N2)C1 ZINC001211499085 731751127 /nfs/dbraw/zinc/75/11/27/731751127.db2.gz JRDMVRXUPNKTBW-RKVPGOIHSA-N 1 1 335.448 0.522 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]32)c1 ZINC001083188343 731764654 /nfs/dbraw/zinc/76/46/54/731764654.db2.gz QFISSJDPLRDZOA-RYQLBKOJSA-N 1 1 341.411 0.625 20 30 ECEDMO C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407574 731814785 /nfs/dbraw/zinc/81/47/85/731814785.db2.gz KRNGCEMIOBJCCJ-MYMJJRTCSA-N 1 1 325.840 0.793 20 30 ECEDMO C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969407574 731814786 /nfs/dbraw/zinc/81/47/86/731814786.db2.gz KRNGCEMIOBJCCJ-MYMJJRTCSA-N 1 1 325.840 0.793 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000969463266 731910141 /nfs/dbraw/zinc/91/01/41/731910141.db2.gz MONKUPSYHZNSTB-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000969515205 731935941 /nfs/dbraw/zinc/93/59/41/731935941.db2.gz YBOXIWZEDAWKOC-XHDPSFHLSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1COCCN1C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969516425 731936391 /nfs/dbraw/zinc/93/63/91/731936391.db2.gz BNZCELXOZJAWET-LRDDRELGSA-N 1 1 348.472 0.887 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC000969626804 732007960 /nfs/dbraw/zinc/00/79/60/732007960.db2.gz HGJADFPYHKMNCJ-OAGGEKHMSA-N 1 1 334.464 0.448 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 ZINC001041811454 782251198 /nfs/dbraw/zinc/25/11/98/782251198.db2.gz OSTUIGAOVPZUNW-QGZVFWFLSA-N 1 1 333.436 0.391 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1 ZINC001069982652 790276424 /nfs/dbraw/zinc/27/64/24/790276424.db2.gz MLIPKNUNKHWSLH-KDNLLOOPSA-N 1 1 343.431 0.619 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1 ZINC001069982652 790276427 /nfs/dbraw/zinc/27/64/27/790276427.db2.gz MLIPKNUNKHWSLH-KDNLLOOPSA-N 1 1 343.431 0.619 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cn(CC)nn2)C1 ZINC000969866566 732465414 /nfs/dbraw/zinc/46/54/14/732465414.db2.gz YHVZJXSTAXUZLS-YOEHRIQHSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cn(CC)nn2)C1 ZINC000969866566 732465417 /nfs/dbraw/zinc/46/54/17/732465417.db2.gz YHVZJXSTAXUZLS-YOEHRIQHSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2csnn2)C1 ZINC000969870233 732468602 /nfs/dbraw/zinc/46/86/02/732468602.db2.gz VYYDKUALIHPFQX-WFASDCNBSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2csnn2)C1 ZINC000969870233 732468604 /nfs/dbraw/zinc/46/86/04/732468604.db2.gz VYYDKUALIHPFQX-WFASDCNBSA-N 1 1 333.461 0.572 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC000969944304 732545905 /nfs/dbraw/zinc/54/59/05/732545905.db2.gz MJYHQYDOVJGHTF-HIFRSBDPSA-N 1 1 330.432 0.918 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cncc(C(N)=O)c3)[C@H]2C1 ZINC001083277532 738618006 /nfs/dbraw/zinc/61/80/06/738618006.db2.gz INCVAJGITFQAMS-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)C[N@@H+](C)C1CCC1 ZINC001125320252 732950689 /nfs/dbraw/zinc/95/06/89/732950689.db2.gz GQQVSRVWHWGAND-OAHLLOKOSA-N 1 1 346.435 0.088 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836244 782311106 /nfs/dbraw/zinc/31/11/06/782311106.db2.gz RMUQIFRWUJNBLG-UKRRQHHQSA-N 1 1 327.450 0.179 20 30 ECEDMO CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125326894 733045958 /nfs/dbraw/zinc/04/59/58/733045958.db2.gz BSQXGTGZGDTNMO-UKRRQHHQSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1nccc(C)n1 ZINC001125327652 733049219 /nfs/dbraw/zinc/04/92/19/733049219.db2.gz WXAZPWRSWBPVLE-HOTGVXAUSA-N 1 1 345.447 0.138 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1nccc(C)n1 ZINC001125327652 733049221 /nfs/dbraw/zinc/04/92/21/733049221.db2.gz WXAZPWRSWBPVLE-HOTGVXAUSA-N 1 1 345.447 0.138 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNc1ccnc(C#N)n1 ZINC001104244470 733051388 /nfs/dbraw/zinc/05/13/88/733051388.db2.gz FLRBEKQGGFKDAM-ZIAGYGMSSA-N 1 1 330.436 0.809 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCC(=O)NCCC)CC1 ZINC001098534949 733110564 /nfs/dbraw/zinc/11/05/64/733110564.db2.gz PGGFMTMIPOCNDI-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2ncnn2-c2ccccc2)c1 ZINC001125360564 733172360 /nfs/dbraw/zinc/17/23/60/733172360.db2.gz GTASGHVUWVANRU-UHFFFAOYSA-N 1 1 335.371 0.987 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CCCC(=O)NCC)CC1 ZINC001098536399 733186506 /nfs/dbraw/zinc/18/65/06/733186506.db2.gz JCROBAZPRLXIJP-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nncn3C)C2)nn1 ZINC000970224265 733235297 /nfs/dbraw/zinc/23/52/97/733235297.db2.gz LVGJUANJTYWNSF-CHWSQXEVSA-N 1 1 344.423 0.548 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001078123284 782339432 /nfs/dbraw/zinc/33/94/32/782339432.db2.gz LMAJNSYNQZVNQP-CHWSQXEVSA-N 1 1 330.392 0.092 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001078123284 782339434 /nfs/dbraw/zinc/33/94/34/782339434.db2.gz LMAJNSYNQZVNQP-CHWSQXEVSA-N 1 1 330.392 0.092 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1nc(C)cc(C#N)n1 ZINC001104253087 733367852 /nfs/dbraw/zinc/36/78/52/733367852.db2.gz DUNYDMQNOHYBBL-BBRMVZONSA-N 1 1 340.431 0.919 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1nc(C)cc(C#N)n1 ZINC001104253087 733367858 /nfs/dbraw/zinc/36/78/58/733367858.db2.gz DUNYDMQNOHYBBL-BBRMVZONSA-N 1 1 340.431 0.919 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nncn2C)cn1 ZINC001025141685 738713053 /nfs/dbraw/zinc/71/30/53/738713053.db2.gz AOVCYIQNKXGBRA-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC000970397725 733464556 /nfs/dbraw/zinc/46/45/56/733464556.db2.gz GEHZFCARABZVTQ-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC001039175665 733517472 /nfs/dbraw/zinc/51/74/72/733517472.db2.gz ZTQQCPXCTOPUBU-MRXNPFEDSA-N 1 1 329.448 0.941 20 30 ECEDMO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000970430610 733521847 /nfs/dbraw/zinc/52/18/47/733521847.db2.gz DALOJBGGWMBSQM-VQISRLSMSA-N 1 1 344.390 0.755 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC000970561973 733676671 /nfs/dbraw/zinc/67/66/71/733676671.db2.gz DOGANQGHZZPOGS-IUODEOHRSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001114942970 734023114 /nfs/dbraw/zinc/02/31/14/734023114.db2.gz PWGRLBUDROZYSZ-QNWHQSFQSA-N 1 1 349.884 0.359 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001114942970 734023115 /nfs/dbraw/zinc/02/31/15/734023115.db2.gz PWGRLBUDROZYSZ-QNWHQSFQSA-N 1 1 349.884 0.359 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2cnn3cc[nH]c23)CC1 ZINC001098546114 734169411 /nfs/dbraw/zinc/16/94/11/734169411.db2.gz NTTPVEOIQCTORB-UHFFFAOYSA-N 1 1 329.404 0.585 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N[C@H](C)CC)C[C@H]32)nn1 ZINC001114943105 734223465 /nfs/dbraw/zinc/22/34/65/734223465.db2.gz SCEVBKKCNPNFMX-FOCJUVANSA-N 1 1 346.435 0.039 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N[C@H](C)CC)C[C@H]32)nn1 ZINC001114943105 734223467 /nfs/dbraw/zinc/22/34/67/734223467.db2.gz SCEVBKKCNPNFMX-FOCJUVANSA-N 1 1 346.435 0.039 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CO[C@@H](C)c2nccn2C)CC1 ZINC001098547576 734295831 /nfs/dbraw/zinc/29/58/31/734295831.db2.gz BHPBDYKAWNRCAN-HNNXBMFYSA-N 1 1 348.447 0.416 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(c3ccc(C#N)nn3)CCO2)C1 ZINC001104321433 734296555 /nfs/dbraw/zinc/29/65/55/734296555.db2.gz FAXUBHUFPLKKIY-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCCN(C)C(C)=O)CC1 ZINC001098548102 734318207 /nfs/dbraw/zinc/31/82/07/734318207.db2.gz NOVKGQVBMNROBS-UHFFFAOYSA-N 1 1 337.464 0.554 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cc(C)nn3C)C2)C1=O ZINC000971163389 734330259 /nfs/dbraw/zinc/33/02/59/734330259.db2.gz VNKJINFGFXCNGP-GJZGRUSLSA-N 1 1 345.447 0.662 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971204575 734357679 /nfs/dbraw/zinc/35/76/79/734357679.db2.gz MWOONYNLIYRBSR-HZPDHXFCSA-N 1 1 326.400 0.870 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971204575 734357684 /nfs/dbraw/zinc/35/76/84/734357684.db2.gz MWOONYNLIYRBSR-HZPDHXFCSA-N 1 1 326.400 0.870 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C)n3)C2)C1=O ZINC000971214148 734364783 /nfs/dbraw/zinc/36/47/83/734364783.db2.gz PMQVKFNYLHXDMP-UKRRQHHQSA-N 1 1 331.420 0.651 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)CCO1 ZINC001104330175 734368376 /nfs/dbraw/zinc/36/83/76/734368376.db2.gz JDATXIMCEALZJL-MRXNPFEDSA-N 1 1 346.431 0.709 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2cc(C)[nH+]c(C)n2)CCO1 ZINC001104330367 734369825 /nfs/dbraw/zinc/36/98/25/734369825.db2.gz NOZGHEWBALUBJB-ZFWWWQNUSA-N 1 1 332.404 0.453 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)C(=O)C(C)(C)C)C2)C1=O ZINC000971224780 734374807 /nfs/dbraw/zinc/37/48/07/734374807.db2.gz BWWBKUGSFXHQHY-UONOGXRCSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)C(=O)C(C)(C)C)C2)C1=O ZINC000971224780 734374811 /nfs/dbraw/zinc/37/48/11/734374811.db2.gz BWWBKUGSFXHQHY-UONOGXRCSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1=O ZINC000971250903 734388619 /nfs/dbraw/zinc/38/86/19/734388619.db2.gz QRWKXRGDQMCRTN-GJZGRUSLSA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000971250903 734388625 /nfs/dbraw/zinc/38/86/25/734388625.db2.gz QRWKXRGDQMCRTN-GJZGRUSLSA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000971250903 734388626 /nfs/dbraw/zinc/38/86/26/734388626.db2.gz QRWKXRGDQMCRTN-GJZGRUSLSA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CCSC)C1 ZINC001149167492 734394571 /nfs/dbraw/zinc/39/45/71/734394571.db2.gz GZBTXHPVRNLFDC-ZIAGYGMSSA-N 1 1 343.493 0.637 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CCSC)C1 ZINC001149167492 734394576 /nfs/dbraw/zinc/39/45/76/734394576.db2.gz GZBTXHPVRNLFDC-ZIAGYGMSSA-N 1 1 343.493 0.637 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC000971276727 734416172 /nfs/dbraw/zinc/41/61/72/734416172.db2.gz GZXQSVFZGCLGLE-DZGCQCFKSA-N 1 1 344.415 0.720 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC)C1 ZINC001111988624 738813028 /nfs/dbraw/zinc/81/30/28/738813028.db2.gz OWJCEOIKVCCGAK-ZFWWWQNUSA-N 1 1 329.466 0.473 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 ZINC001098550349 734449029 /nfs/dbraw/zinc/44/90/29/734449029.db2.gz JHUNNPBUSDOYMQ-INIZCTEOSA-N 1 1 335.448 0.306 20 30 ECEDMO C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971377248 734488726 /nfs/dbraw/zinc/48/87/26/734488726.db2.gz VUNIWDIMDAILRI-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCOC)C[C@@H]32)cc1 ZINC001083217035 734533658 /nfs/dbraw/zinc/53/36/58/734533658.db2.gz DIKVIRJDQDNSSO-ZWKOTPCHSA-N 1 1 344.411 0.870 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCOC)C[C@@H]32)cc1 ZINC001083217035 734533659 /nfs/dbraw/zinc/53/36/59/734533659.db2.gz DIKVIRJDQDNSSO-ZWKOTPCHSA-N 1 1 344.411 0.870 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1)C1CCC1 ZINC001104352947 734596072 /nfs/dbraw/zinc/59/60/72/734596072.db2.gz LTYPTGFEGJXJCN-OAHLLOKOSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)CCO1)C1CCC1 ZINC001104352712 734600226 /nfs/dbraw/zinc/60/02/26/734600226.db2.gz FSVJDUQUSIFRHW-INIZCTEOSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)OC)[C@@H]2C1 ZINC000971482865 734677884 /nfs/dbraw/zinc/67/78/84/734677884.db2.gz RNDFGOIYEAETRY-XUWVNRHRSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)OC)[C@@H]2C1 ZINC000971482865 734677886 /nfs/dbraw/zinc/67/78/86/734677886.db2.gz RNDFGOIYEAETRY-XUWVNRHRSA-N 1 1 333.432 0.178 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cnnn3CC)C2)C1=O ZINC000971496125 734690169 /nfs/dbraw/zinc/69/01/69/734690169.db2.gz JVHLUEKWDCRTIL-ZIAGYGMSSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3n[nH]cc3C)C2)C1=O ZINC000971517163 734704546 /nfs/dbraw/zinc/70/45/46/734704546.db2.gz JWUUJEVBHKJZJE-UONOGXRCSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3ccn(C)n3)C2)C1=O ZINC000971528076 734714909 /nfs/dbraw/zinc/71/49/09/734714909.db2.gz HKTMTPXAHFOPKD-JKSUJKDBSA-N 1 1 345.447 0.282 20 30 ECEDMO COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1[nH]nnc1C)C2 ZINC001112506481 734780405 /nfs/dbraw/zinc/78/04/05/734780405.db2.gz OSVJJGKXUHWUIJ-YOEHRIQHSA-N 1 1 331.420 0.595 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4nncn4c3)[C@H]2C1 ZINC001083222702 734868197 /nfs/dbraw/zinc/86/81/97/734868197.db2.gz HDESTWWKYARRCK-LSDHHAIUSA-N 1 1 325.372 0.278 20 30 ECEDMO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCOCC1 ZINC001114988774 734868271 /nfs/dbraw/zinc/86/82/71/734868271.db2.gz LYOKSRNVECKUQJ-QLPKVWCKSA-N 1 1 335.448 0.542 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH2+]CC1(CCNC(=O)c2ncn[nH]2)CC1 ZINC001167484194 734868725 /nfs/dbraw/zinc/86/87/25/734868725.db2.gz YAFNQPNWPHQACS-UHFFFAOYSA-N 1 1 348.451 0.719 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH2+]CC1(CCNC(=O)c2nc[nH]n2)CC1 ZINC001167484194 734868730 /nfs/dbraw/zinc/86/87/30/734868730.db2.gz YAFNQPNWPHQACS-UHFFFAOYSA-N 1 1 348.451 0.719 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CS(=O)(=O)C1 ZINC001025232852 738859217 /nfs/dbraw/zinc/85/92/17/738859217.db2.gz QNEHUIZUOYRQLP-JKSUJKDBSA-N 1 1 338.473 0.900 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CS(=O)(=O)C1 ZINC001025232852 738859220 /nfs/dbraw/zinc/85/92/20/738859220.db2.gz QNEHUIZUOYRQLP-JKSUJKDBSA-N 1 1 338.473 0.900 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC001098555913 734999181 /nfs/dbraw/zinc/99/91/81/734999181.db2.gz UWGVFYOTEQIQNJ-UHFFFAOYSA-N 1 1 334.420 0.255 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC000971747244 735021725 /nfs/dbraw/zinc/02/17/25/735021725.db2.gz VDFLRGYBOYMZLZ-QWHCGFSZSA-N 1 1 347.419 0.357 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001111489892 735060491 /nfs/dbraw/zinc/06/04/91/735060491.db2.gz NSUGOHRZGVEFQE-TWMKSMIVSA-N 1 1 348.447 0.558 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817968 735123655 /nfs/dbraw/zinc/12/36/55/735123655.db2.gz LKCCYASIYTVARP-NWDGAFQWSA-N 1 1 339.827 0.831 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817968 735123656 /nfs/dbraw/zinc/12/36/56/735123656.db2.gz LKCCYASIYTVARP-NWDGAFQWSA-N 1 1 339.827 0.831 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CC)n3)[C@H]2C1 ZINC001083226102 735131358 /nfs/dbraw/zinc/13/13/58/735131358.db2.gz HWXVJCOKVOTZGW-LSDHHAIUSA-N 1 1 332.404 0.365 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3nc4ncccn4n3)[C@H]2C1 ZINC001083226612 735147316 /nfs/dbraw/zinc/14/73/16/735147316.db2.gz NLRBYUHZBAMERN-QWHCGFSZSA-N 1 1 328.376 0.226 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)Nc2cncc(C#N)n2)C1 ZINC001098214935 735171702 /nfs/dbraw/zinc/17/17/02/735171702.db2.gz CDMIUWNGCWWOQL-TZMCWYRMSA-N 1 1 332.408 0.374 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3c[nH]nc3CC)C2)C1=O ZINC000971849644 735234394 /nfs/dbraw/zinc/23/43/94/735234394.db2.gz ZWSVLZMCICEWBI-XJKSGUPXSA-N 1 1 345.447 0.905 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCN(C(=O)CC)C3)[C@H]2C1 ZINC001083242719 735663306 /nfs/dbraw/zinc/66/33/06/735663306.db2.gz VJVDAVOSRLNFGA-HRCADAONSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC000972138512 735693102 /nfs/dbraw/zinc/69/31/02/735693102.db2.gz PIIXTUKRBVUHCB-LJIZCISZSA-N 1 1 333.432 0.198 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3conc3C)C2)C1=O ZINC000972222413 735807456 /nfs/dbraw/zinc/80/74/56/735807456.db2.gz NAYWFEAFKSJNHG-UKRRQHHQSA-N 1 1 332.404 0.916 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)N3CCCC3=O)[C@H]2C1 ZINC001083246463 735894907 /nfs/dbraw/zinc/89/49/07/735894907.db2.gz SDKWWLIIJCKSJB-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn4c(n3)CCC4)C2)C1 ZINC000972389571 736106715 /nfs/dbraw/zinc/10/67/15/736106715.db2.gz QLHLSMJLDSMVTP-GOSISDBHSA-N 1 1 328.416 0.770 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn4c(n3)CCC4)C2)C1 ZINC000972389571 736106716 /nfs/dbraw/zinc/10/67/16/736106716.db2.gz QLHLSMJLDSMVTP-GOSISDBHSA-N 1 1 328.416 0.770 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4ncccc34)C2)C1 ZINC000972414024 736151051 /nfs/dbraw/zinc/15/10/51/736151051.db2.gz SGEPXWWGRQXOEJ-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4ncccc34)C2)C1 ZINC000972414024 736151054 /nfs/dbraw/zinc/15/10/54/736151054.db2.gz SGEPXWWGRQXOEJ-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972422969 736168765 /nfs/dbraw/zinc/16/87/65/736168765.db2.gz ROVDJJJZQRBFGI-MSOLQXFVSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972422969 736168769 /nfs/dbraw/zinc/16/87/69/736168769.db2.gz ROVDJJJZQRBFGI-MSOLQXFVSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972431897 736181710 /nfs/dbraw/zinc/18/17/10/736181710.db2.gz WNGSJCKHCVIAMV-MSOLQXFVSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972436785 736189866 /nfs/dbraw/zinc/18/98/66/736189866.db2.gz DSOLNIPDNJDITJ-CRAIPNDOSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972436785 736189868 /nfs/dbraw/zinc/18/98/68/736189868.db2.gz DSOLNIPDNJDITJ-CRAIPNDOSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001098571879 736202707 /nfs/dbraw/zinc/20/27/07/736202707.db2.gz YGMVWZVNCHYJRP-HNNXBMFYSA-N 1 1 345.447 0.149 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4cncn4C3)C2)C1 ZINC000972441860 736204151 /nfs/dbraw/zinc/20/41/51/736204151.db2.gz VZKINNCWEPFELN-LPHOPBHVSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4cncn4C3)C2)C1 ZINC000972441860 736204153 /nfs/dbraw/zinc/20/41/53/736204153.db2.gz VZKINNCWEPFELN-LPHOPBHVSA-N 1 1 342.443 0.772 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C ZINC001041970858 782518401 /nfs/dbraw/zinc/51/84/01/782518401.db2.gz XYSUCSYRIQJBSJ-DGCLKSJQSA-N 1 1 325.376 0.494 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C ZINC001041970571 782516008 /nfs/dbraw/zinc/51/60/08/782516008.db2.gz PTPZWYPTGVOUGJ-IAQYHMDHSA-N 1 1 339.403 0.803 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3ccn(CC)n3)C2)C1=O ZINC000972478365 736303599 /nfs/dbraw/zinc/30/35/99/736303599.db2.gz LMNSRMSJUHURCN-GDBMZVCRSA-N 1 1 345.447 0.836 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3CCC)C2)cn1 ZINC001022992717 736368901 /nfs/dbraw/zinc/36/89/01/736368901.db2.gz UUVWWJWDCYTSDG-GASCZTMLSA-N 1 1 339.403 0.510 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](CCCO)CCO3)cc1 ZINC000972491807 736374839 /nfs/dbraw/zinc/37/48/39/736374839.db2.gz BJPGIGINLCEVTG-LJQANCHMSA-N 1 1 328.412 0.967 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCCO)CCO3)cc1 ZINC000972491807 736374842 /nfs/dbraw/zinc/37/48/42/736374842.db2.gz BJPGIGINLCEVTG-LJQANCHMSA-N 1 1 328.412 0.967 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000972503807 736437750 /nfs/dbraw/zinc/43/77/50/736437750.db2.gz IZPVTQTUQYXYQW-YOEHRIQHSA-N 1 1 336.436 0.280 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCN(CC)C3=O)C2)nn1 ZINC000972507301 736463985 /nfs/dbraw/zinc/46/39/85/736463985.db2.gz SEBIIOYPDHANQW-DZGCQCFKSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cncnc3)C2)C1 ZINC000972518111 736533705 /nfs/dbraw/zinc/53/37/05/736533705.db2.gz HREDPALZOHOCEN-YJBOKZPZSA-N 1 1 328.416 0.907 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cncnc3)C2)C1 ZINC000972518111 736533707 /nfs/dbraw/zinc/53/37/07/736533707.db2.gz HREDPALZOHOCEN-YJBOKZPZSA-N 1 1 328.416 0.907 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001023244186 736615650 /nfs/dbraw/zinc/61/56/50/736615650.db2.gz GCJKHFIYFDIBFS-DZGCQCFKSA-N 1 1 331.420 0.638 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC001023295934 736655600 /nfs/dbraw/zinc/65/56/00/736655600.db2.gz LJRPVDRMSXZJQS-CQSZACIVSA-N 1 1 343.431 0.951 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001023296115 736655807 /nfs/dbraw/zinc/65/58/07/736655807.db2.gz OZFKAJIVUJOBRW-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023309161 736667060 /nfs/dbraw/zinc/66/70/60/736667060.db2.gz ZMJROAIYJDMSSP-QWHCGFSZSA-N 1 1 331.420 0.805 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023309172 736667296 /nfs/dbraw/zinc/66/72/96/736667296.db2.gz ZNJUIHOEGZEDPG-QWHCGFSZSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023320220 736680574 /nfs/dbraw/zinc/68/05/74/736680574.db2.gz XDEOCFUKGKEDHD-QWHCGFSZSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)C3=CCOCC3)C2)C1=O ZINC001023327774 736687491 /nfs/dbraw/zinc/68/74/91/736687491.db2.gz HUPXJBHRVYPKJV-NVXWUHKLSA-N 1 1 347.459 0.948 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1COC(=O)N1 ZINC001023343951 736715248 /nfs/dbraw/zinc/71/52/48/736715248.db2.gz CIYLEHIAJNIZQD-IRXDYDNUSA-N 1 1 341.411 0.975 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972553721 736719459 /nfs/dbraw/zinc/71/94/59/736719459.db2.gz JCOKUHJLGHYCPX-QGZVFWFLSA-N 1 1 332.404 0.607 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972553721 736719464 /nfs/dbraw/zinc/71/94/64/736719464.db2.gz JCOKUHJLGHYCPX-QGZVFWFLSA-N 1 1 332.404 0.607 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023372255 736752129 /nfs/dbraw/zinc/75/21/29/736752129.db2.gz PRSHHFWTXCTVNR-INIZCTEOSA-N 1 1 331.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001023447130 736845499 /nfs/dbraw/zinc/84/54/99/736845499.db2.gz GXUGJZOLQNZRRO-NSHDSACASA-N 1 1 325.390 0.002 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001023503031 736928856 /nfs/dbraw/zinc/92/88/56/736928856.db2.gz LBFGDGINMRJGAT-ZFWWWQNUSA-N 1 1 329.404 0.217 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001023507567 736932488 /nfs/dbraw/zinc/93/24/88/736932488.db2.gz VFCQLPPRTMDKIY-CQSZACIVSA-N 1 1 341.415 0.796 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3csnn3)C2)C1=O ZINC001023512137 736939026 /nfs/dbraw/zinc/93/90/26/736939026.db2.gz GZELUSWKWOYJMZ-GXTWGEPZSA-N 1 1 349.460 0.767 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972586646 736974879 /nfs/dbraw/zinc/97/48/79/736974879.db2.gz ZWTDLGAICSEDHI-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972586646 736974880 /nfs/dbraw/zinc/97/48/80/736974880.db2.gz ZWTDLGAICSEDHI-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnnn3C)C2)c1 ZINC001023583095 737039130 /nfs/dbraw/zinc/03/91/30/737039130.db2.gz XOJGQPWITYACOO-HNNXBMFYSA-N 1 1 338.415 0.833 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnnn3C)C2)c1 ZINC001023583095 737039133 /nfs/dbraw/zinc/03/91/33/737039133.db2.gz XOJGQPWITYACOO-HNNXBMFYSA-N 1 1 338.415 0.833 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001023583724 737041198 /nfs/dbraw/zinc/04/11/98/737041198.db2.gz NVODRQYLZGDDHA-LLVKDONJSA-N 1 1 341.437 0.075 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001023640302 737128941 /nfs/dbraw/zinc/12/89/41/737128941.db2.gz CUDNYTOLWYCFEP-POZPTJLLSA-N 1 1 334.420 0.379 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001023644751 737133910 /nfs/dbraw/zinc/13/39/10/737133910.db2.gz RNKUXQAXRWYPDD-ZIAGYGMSSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCCCC(=O)NC)CC1 ZINC001098580050 737162250 /nfs/dbraw/zinc/16/22/50/737162250.db2.gz YYFHEHJGHJJJIZ-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnnn3C)C2)cn1 ZINC001023710758 737218783 /nfs/dbraw/zinc/21/87/83/737218783.db2.gz QGPLRXATLVEYJF-AWEZNQCLSA-N 1 1 338.415 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnnn3C)C2)cn1 ZINC001023710758 737218786 /nfs/dbraw/zinc/21/87/86/737218786.db2.gz QGPLRXATLVEYJF-AWEZNQCLSA-N 1 1 338.415 0.833 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001023730962 737254432 /nfs/dbraw/zinc/25/44/32/737254432.db2.gz LKYFXWKGMLQFRX-AWEZNQCLSA-N 1 1 326.404 0.898 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067463042 737315251 /nfs/dbraw/zinc/31/52/51/737315251.db2.gz UEDPZLYNGCRJKR-OAGGEKHMSA-N 1 1 337.464 0.836 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN([C@H](C)C(N)=O)C2)CC1 ZINC001023761929 737326719 /nfs/dbraw/zinc/32/67/19/737326719.db2.gz MVLBARDEDFUJEW-HUUCEWRRSA-N 1 1 334.464 0.034 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972688334 737382592 /nfs/dbraw/zinc/38/25/92/737382592.db2.gz NYEOHUBCARWADE-YJBOKZPZSA-N 1 1 345.447 0.720 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689447 737387603 /nfs/dbraw/zinc/38/76/03/737387603.db2.gz YKCSKZTZFIYOOM-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689447 737387605 /nfs/dbraw/zinc/38/76/05/737387605.db2.gz YKCSKZTZFIYOOM-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001023801494 737411052 /nfs/dbraw/zinc/41/10/52/737411052.db2.gz VDRGCADRBOTKCG-HZPDHXFCSA-N 1 1 346.431 0.626 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC[NH2+]Cc1cnsn1 ZINC001167678400 737411698 /nfs/dbraw/zinc/41/16/98/737411698.db2.gz YYEBKAVQYRUOSL-CYBMUJFWSA-N 1 1 325.438 0.605 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)C1 ZINC000972704032 737495504 /nfs/dbraw/zinc/49/55/04/737495504.db2.gz YCDNZEHHYGWFHI-CRAIPNDOSA-N 1 1 330.432 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)C1 ZINC000972704032 737495507 /nfs/dbraw/zinc/49/55/07/737495507.db2.gz YCDNZEHHYGWFHI-CRAIPNDOSA-N 1 1 330.432 0.850 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972708909 737521398 /nfs/dbraw/zinc/52/13/98/737521398.db2.gz XWCUIWBSAIJXAZ-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972708909 737521403 /nfs/dbraw/zinc/52/14/03/737521403.db2.gz XWCUIWBSAIJXAZ-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC000972757598 737598900 /nfs/dbraw/zinc/59/89/00/737598900.db2.gz SZMGFWBCWWKOOM-CHWSQXEVSA-N 1 1 330.388 0.114 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001024018471 737623721 /nfs/dbraw/zinc/62/37/21/737623721.db2.gz OQEBXPGCFVMRJN-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)NC(=O)C2CCC2)CC1 ZINC001098584511 737720906 /nfs/dbraw/zinc/72/09/06/737720906.db2.gz YXOSKEUUJQFOSK-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ncc[nH]3)C[C@H]21 ZINC000972835046 737759160 /nfs/dbraw/zinc/75/91/60/737759160.db2.gz LRKFLPVVGROLSE-QLFBSQMISA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ncc[nH]3)C[C@H]21 ZINC000972835046 737759161 /nfs/dbraw/zinc/75/91/61/737759161.db2.gz LRKFLPVVGROLSE-QLFBSQMISA-N 1 1 341.415 0.180 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O ZINC001024157683 737785830 /nfs/dbraw/zinc/78/58/30/737785830.db2.gz QWIKNNIWNGXRNH-GVDBMIGSSA-N 1 1 347.459 0.351 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](C[NH2+]Cc3nnn(C)n3)C2)cn1 ZINC001024242916 737848400 /nfs/dbraw/zinc/84/84/00/737848400.db2.gz QPZBCZBTSUHCQS-CYBMUJFWSA-N 1 1 339.403 0.228 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001024394960 737938207 /nfs/dbraw/zinc/93/82/07/737938207.db2.gz ONJALEUHVVJNJP-HOCLYGCPSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001024394960 737938210 /nfs/dbraw/zinc/93/82/10/737938210.db2.gz ONJALEUHVVJNJP-HOCLYGCPSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cn(C)nn2)C1=O ZINC001024420817 737955507 /nfs/dbraw/zinc/95/55/07/737955507.db2.gz UZXLJIDEAASEOB-HIFRSBDPSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cn(C)nn2)C1=O ZINC001024420817 737955511 /nfs/dbraw/zinc/95/55/11/737955511.db2.gz UZXLJIDEAASEOB-HIFRSBDPSA-N 1 1 346.435 0.186 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001024469023 737996608 /nfs/dbraw/zinc/99/66/08/737996608.db2.gz TWJGTVVSLXDUOE-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)[C@H]21 ZINC001087279967 738080403 /nfs/dbraw/zinc/08/04/03/738080403.db2.gz HISUNFVTKHGAQW-KCXAZCMYSA-N 1 1 343.431 0.851 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCOCC1=O ZINC001087288715 738122030 /nfs/dbraw/zinc/12/20/30/738122030.db2.gz AVUGUEBZMRTIAM-FHLIZLRMSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC001087289376 738124177 /nfs/dbraw/zinc/12/41/77/738124177.db2.gz LIPNZXWCVWEOER-KWCYVHTRSA-N 1 1 346.435 0.168 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCOCC3=O)C(C)(C)[C@H]21 ZINC001087289922 738127804 /nfs/dbraw/zinc/12/78/04/738127804.db2.gz ULYFCHXZCFZIQL-XYPHTWIQSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC001087297414 738153485 /nfs/dbraw/zinc/15/34/85/738153485.db2.gz OIEOTFZWBPWHKD-UHOFOFEASA-N 1 1 328.416 0.632 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001024628520 738185563 /nfs/dbraw/zinc/18/55/63/738185563.db2.gz RYLVDZVPGZATBY-CVEARBPZSA-N 1 1 341.415 0.710 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001024700459 738229986 /nfs/dbraw/zinc/22/99/86/738229986.db2.gz BJOURWKVQCQGDA-TXKKKEFDSA-N 1 1 348.447 0.912 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087308074 738230019 /nfs/dbraw/zinc/23/00/19/738230019.db2.gz LBTLBZXVQDYGMR-DFBGVHRSSA-N 1 1 334.420 0.329 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001024703517 738235163 /nfs/dbraw/zinc/23/51/63/738235163.db2.gz JPGPQBIRQYALKH-CPUCHLNUSA-N 1 1 334.420 0.482 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnon2)C1=O ZINC001024720319 738249337 /nfs/dbraw/zinc/24/93/37/738249337.db2.gz IIOQDASLDCJMPA-JSGCOSHPSA-N 1 1 333.392 0.441 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnon2)C1=O ZINC001024720319 738249343 /nfs/dbraw/zinc/24/93/43/738249343.db2.gz IIOQDASLDCJMPA-JSGCOSHPSA-N 1 1 333.392 0.441 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cccnn2)C1=O ZINC001024729426 738253399 /nfs/dbraw/zinc/25/33/99/738253399.db2.gz OCNJGSHENSVQEQ-GOEBONIOSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cccnn2)C1=O ZINC001024729426 738253401 /nfs/dbraw/zinc/25/34/01/738253401.db2.gz OCNJGSHENSVQEQ-GOEBONIOSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3nc(C)ccc3=O)C(C)(C)[C@@H]21 ZINC001087315058 738265335 /nfs/dbraw/zinc/26/53/35/738265335.db2.gz VTIQXIJEYWTBTO-ZTFGCOKTSA-N 1 1 342.443 0.790 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001024779825 738286923 /nfs/dbraw/zinc/28/69/23/738286923.db2.gz VXRKXQGVGGSRAQ-DJIMGWMZSA-N 1 1 349.475 0.763 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(C)c(=O)n3C)C(C)(C)[C@H]21 ZINC001087319850 738293352 /nfs/dbraw/zinc/29/33/52/738293352.db2.gz VMRLIXPESYWGJW-BMFZPTHFSA-N 1 1 344.459 0.966 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](n2ccnn2)C1 ZINC001070000791 790297131 /nfs/dbraw/zinc/29/71/31/790297131.db2.gz NWKZKHDDDYMMIZ-KGLIPLIRSA-N 1 1 329.408 0.551 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](n2ccnn2)C1 ZINC001070000791 790297133 /nfs/dbraw/zinc/29/71/33/790297133.db2.gz NWKZKHDDDYMMIZ-KGLIPLIRSA-N 1 1 329.408 0.551 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025244390 738910671 /nfs/dbraw/zinc/91/06/71/738910671.db2.gz JDEOKRIVPKPJOE-LSDHHAIUSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cn(C)c(=O)cn1 ZINC001025253638 738947378 /nfs/dbraw/zinc/94/73/78/738947378.db2.gz WQGUTVZRUIDCMH-CVEARBPZSA-N 1 1 328.416 0.873 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@@H+]2CCO)nn1 ZINC001025275088 738998781 /nfs/dbraw/zinc/99/87/81/738998781.db2.gz SCUBHBVHEVIZDY-HZPDHXFCSA-N 1 1 333.436 0.916 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025297838 739018859 /nfs/dbraw/zinc/01/88/59/739018859.db2.gz QXHFPRFNXJHBDI-CABCVRRESA-N 1 1 346.431 0.407 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cncn2C)nn1 ZINC001028187413 751420924 /nfs/dbraw/zinc/42/09/24/751420924.db2.gz JICQFUXRPHSARP-CYBMUJFWSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cncn2C)nn1 ZINC001028187413 751420928 /nfs/dbraw/zinc/42/09/28/751420928.db2.gz JICQFUXRPHSARP-CYBMUJFWSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCCC2=O)nn1 ZINC001028188125 751421153 /nfs/dbraw/zinc/42/11/53/751421153.db2.gz UMNFPTLGQYKSGG-AWEZNQCLSA-N 1 1 346.435 0.281 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC000973410816 739224068 /nfs/dbraw/zinc/22/40/68/739224068.db2.gz RPPLKWKPSMHPDD-GVXVVHGQSA-N 1 1 333.367 0.023 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC000973410816 739224070 /nfs/dbraw/zinc/22/40/70/739224070.db2.gz RPPLKWKPSMHPDD-GVXVVHGQSA-N 1 1 333.367 0.023 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nc(C)c[nH]2)C1=O ZINC001028190925 751428357 /nfs/dbraw/zinc/42/83/57/751428357.db2.gz FQWARDBKOSAVEN-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nc(C)c[nH]2)C1=O ZINC001028190925 751428362 /nfs/dbraw/zinc/42/83/62/751428362.db2.gz FQWARDBKOSAVEN-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000988017069 751459889 /nfs/dbraw/zinc/45/98/89/751459889.db2.gz UTGIDCSMCVQUBK-HIFRSBDPSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)COC ZINC000973625039 739596867 /nfs/dbraw/zinc/59/68/67/739596867.db2.gz OCGCFPZHPNORQF-UYTSQGDYSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)COC ZINC000973625039 739596870 /nfs/dbraw/zinc/59/68/70/739596870.db2.gz OCGCFPZHPNORQF-UYTSQGDYSA-N 1 1 333.432 0.369 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)N3CCCCC3=O)[C@H]2C1 ZINC001083282907 739656727 /nfs/dbraw/zinc/65/67/27/739656727.db2.gz YKPRDSUPCSDGOD-OWCLPIDISA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)N3CCCCC3=O)[C@H]2C1 ZINC001083282907 739656730 /nfs/dbraw/zinc/65/67/30/739656730.db2.gz YKPRDSUPCSDGOD-OWCLPIDISA-N 1 1 335.448 0.875 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001025598168 739763165 /nfs/dbraw/zinc/76/31/65/739763165.db2.gz VLLKPXKBTPXOCI-HUUCEWRRSA-N 1 1 331.416 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3nnc(C)o3)C[C@H]21 ZINC001025814028 739996495 /nfs/dbraw/zinc/99/64/95/739996495.db2.gz DNLPYLDJJGXJRU-VMMWWAARSA-N 1 1 343.431 0.583 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3nnc(C)o3)C[C@H]21 ZINC001025814028 739996496 /nfs/dbraw/zinc/99/64/96/739996496.db2.gz DNLPYLDJJGXJRU-VMMWWAARSA-N 1 1 343.431 0.583 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1 ZINC000982067635 751547820 /nfs/dbraw/zinc/54/78/20/751547820.db2.gz HASZGWRIBHFICS-UHFFFAOYSA-N 1 1 346.431 0.475 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104794971 740519038 /nfs/dbraw/zinc/51/90/38/740519038.db2.gz OUJATVDBLQCDGN-DZGCQCFKSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104794971 740519043 /nfs/dbraw/zinc/51/90/43/740519043.db2.gz OUJATVDBLQCDGN-DZGCQCFKSA-N 1 1 346.435 0.716 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]23)n1 ZINC001026241818 740557284 /nfs/dbraw/zinc/55/72/84/740557284.db2.gz ARVBPXPFVNARID-KGYLQXTDSA-N 1 1 340.391 0.050 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cncnc2C)C1 ZINC000973911454 740579940 /nfs/dbraw/zinc/57/99/40/740579940.db2.gz JBZGLBXEWAARQQ-LZWOXQAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cncnc2C)C1 ZINC000973911454 740579942 /nfs/dbraw/zinc/57/99/42/740579942.db2.gz JBZGLBXEWAARQQ-LZWOXQAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC000973945377 740644001 /nfs/dbraw/zinc/64/40/01/740644001.db2.gz WSBXWNFKBPDDAT-ZNMIVQPWSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC000973945377 740644005 /nfs/dbraw/zinc/64/40/05/740644005.db2.gz WSBXWNFKBPDDAT-ZNMIVQPWSA-N 1 1 344.390 0.695 20 30 ECEDMO CN(CCCN(C)c1ncccc1C#N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001112055576 740667759 /nfs/dbraw/zinc/66/77/59/740667759.db2.gz QIEVGSQGRPAFCP-HNNXBMFYSA-N 1 1 331.420 0.569 20 30 ECEDMO CN(CCCN(C)c1ncccc1C#N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001112055576 740667761 /nfs/dbraw/zinc/66/77/61/740667761.db2.gz QIEVGSQGRPAFCP-HNNXBMFYSA-N 1 1 331.420 0.569 20 30 ECEDMO C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104869309 740767375 /nfs/dbraw/zinc/76/73/75/740767375.db2.gz SASOPTXZUFZKPJ-YRGRVCCFSA-N 1 1 332.408 0.326 20 30 ECEDMO C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104869309 740767377 /nfs/dbraw/zinc/76/73/77/740767377.db2.gz SASOPTXZUFZKPJ-YRGRVCCFSA-N 1 1 332.408 0.326 20 30 ECEDMO CC(C)C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104926504 740949250 /nfs/dbraw/zinc/94/92/50/740949250.db2.gz UQDMBJGYILOBET-HIFRSBDPSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104926504 740949252 /nfs/dbraw/zinc/94/92/52/740949252.db2.gz UQDMBJGYILOBET-HIFRSBDPSA-N 1 1 346.435 0.622 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000974151163 741021738 /nfs/dbraw/zinc/02/17/38/741021738.db2.gz NNHBZURFCPJDMZ-IVSAIRAKSA-N 1 1 346.431 0.936 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC000982113340 751606138 /nfs/dbraw/zinc/60/61/38/751606138.db2.gz MKDMHZFSGXQXDV-UHFFFAOYSA-N 1 1 334.420 0.381 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[N@H+](CCN3CCCC3=O)CC2)nn1 ZINC000982117765 751611136 /nfs/dbraw/zinc/61/11/36/751611136.db2.gz MKXSPIKOIUHDQV-UHFFFAOYSA-N 1 1 346.435 0.234 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[N@@H+](CCN3CCCC3=O)CC2)nn1 ZINC000982117765 751611143 /nfs/dbraw/zinc/61/11/43/751611143.db2.gz MKXSPIKOIUHDQV-UHFFFAOYSA-N 1 1 346.435 0.234 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1ncc(C)cn1 ZINC001038367974 741163350 /nfs/dbraw/zinc/16/33/50/741163350.db2.gz OCIYLHJTYKZQQN-HOTGVXAUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1ncc(C)cn1 ZINC001038367974 741163354 /nfs/dbraw/zinc/16/33/54/741163354.db2.gz OCIYLHJTYKZQQN-HOTGVXAUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC000974266047 741198580 /nfs/dbraw/zinc/19/85/80/741198580.db2.gz WNUDGFHQLZDICN-LZWOXQAQSA-N 1 1 343.431 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC000974266047 741198583 /nfs/dbraw/zinc/19/85/83/741198583.db2.gz WNUDGFHQLZDICN-LZWOXQAQSA-N 1 1 343.431 0.122 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC000982130904 751629424 /nfs/dbraw/zinc/62/94/24/751629424.db2.gz JXDAWKYEHROOSD-UHFFFAOYSA-N 1 1 325.412 0.620 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC000982130904 751629427 /nfs/dbraw/zinc/62/94/27/751629427.db2.gz JXDAWKYEHROOSD-UHFFFAOYSA-N 1 1 325.412 0.620 20 30 ECEDMO CCOCC[NH2+]Cc1cn(C2CN(C(=O)CSCC#N)C2)nn1 ZINC001105170002 741434440 /nfs/dbraw/zinc/43/44/40/741434440.db2.gz RJPZZMRSYROLIO-UHFFFAOYSA-N 1 1 338.437 0.044 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[N@H+](CCn3cncn3)CC2)nn1 ZINC000982142831 751638774 /nfs/dbraw/zinc/63/87/74/751638774.db2.gz JQLCFZQVMWTNOX-UHFFFAOYSA-N 1 1 344.423 0.294 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[N@@H+](CCn3cncn3)CC2)nn1 ZINC000982142831 751638779 /nfs/dbraw/zinc/63/87/79/751638779.db2.gz JQLCFZQVMWTNOX-UHFFFAOYSA-N 1 1 344.423 0.294 20 30 ECEDMO C=CCC[NH2+]Cc1cn(C2CN(C(=O)CCc3nc[nH]n3)C2)nn1 ZINC001105207036 741467925 /nfs/dbraw/zinc/46/79/25/741467925.db2.gz ATECKMYMWXIGEI-UHFFFAOYSA-N 1 1 330.396 0.078 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cccc(-n4cnnn4)c3)C2)C1 ZINC000982144279 751642160 /nfs/dbraw/zinc/64/21/60/751642160.db2.gz HAOZTCREGCSXRG-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000982146907 751644760 /nfs/dbraw/zinc/64/47/60/751644760.db2.gz MCAXGUNZHWHRLC-UHFFFAOYSA-N 1 1 330.388 0.869 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]cc3C)C2)nn1 ZINC001105232954 741519216 /nfs/dbraw/zinc/51/92/16/741519216.db2.gz AGBMCGQRLBWEBJ-UHFFFAOYSA-N 1 1 345.407 0.299 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000988189454 751645244 /nfs/dbraw/zinc/64/52/44/751645244.db2.gz VHGJQDOXZPWRSW-GJZGRUSLSA-N 1 1 337.464 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000988189454 751645249 /nfs/dbraw/zinc/64/52/49/751645249.db2.gz VHGJQDOXZPWRSW-GJZGRUSLSA-N 1 1 337.464 0.836 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)c3ccnn3C)C2)nn1 ZINC001105242643 741539666 /nfs/dbraw/zinc/53/96/66/741539666.db2.gz CEIWVGACLSVXOT-ZDUSSCGKSA-N 1 1 343.435 0.864 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)Nc1ccnc(C#N)n1 ZINC001105265917 741602726 /nfs/dbraw/zinc/60/27/26/741602726.db2.gz HSERHKFXVDOSIH-KBPBESRZSA-N 1 1 330.436 0.807 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)nn1 ZINC001105268289 741610028 /nfs/dbraw/zinc/61/00/28/741610028.db2.gz IEQSXYWXFVLIQR-KRWDZBQOSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3COC)C2)nn1 ZINC001105272700 741618082 /nfs/dbraw/zinc/61/80/82/741618082.db2.gz QIBOKBHWTJUBJB-UHFFFAOYSA-N 1 1 345.407 0.131 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3coc(C(N)=O)c3)C2)nn1 ZINC001105292309 741656228 /nfs/dbraw/zinc/65/62/28/741656228.db2.gz JJDXTTGXZCVOMX-UHFFFAOYSA-N 1 1 344.375 0.333 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000982153639 751660582 /nfs/dbraw/zinc/66/05/82/751660582.db2.gz DXQBZKQCVHPVEP-UHFFFAOYSA-N 1 1 326.400 0.742 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCOCC)nn2)C1 ZINC001105329917 741831643 /nfs/dbraw/zinc/83/16/43/741831643.db2.gz DSUQFCHZPNJSSV-CVEARBPZSA-N 1 1 349.435 0.379 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)cc1F ZINC001006687099 751674173 /nfs/dbraw/zinc/67/41/73/751674173.db2.gz WRSZRRGYWMLAIX-CQSZACIVSA-N 1 1 343.366 0.465 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)cc1F ZINC001006687099 751674177 /nfs/dbraw/zinc/67/41/77/751674177.db2.gz WRSZRRGYWMLAIX-CQSZACIVSA-N 1 1 343.366 0.465 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974534911 741878444 /nfs/dbraw/zinc/87/84/44/741878444.db2.gz BWWYFTPNQYXGPO-LSDHHAIUSA-N 1 1 342.399 0.993 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974578513 741911036 /nfs/dbraw/zinc/91/10/36/741911036.db2.gz PWCDAZKFZGKBPN-TZMCWYRMSA-N 1 1 331.420 0.775 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000974602767 741925800 /nfs/dbraw/zinc/92/58/00/741925800.db2.gz XHIMVYVMQQBZPB-GFCCVEGCSA-N 1 1 334.424 0.170 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000982173207 751683147 /nfs/dbraw/zinc/68/31/47/751683147.db2.gz HQSHUXGOBWIHOY-DZKIICNBSA-N 1 1 349.431 0.307 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000982173207 751683151 /nfs/dbraw/zinc/68/31/51/751683151.db2.gz HQSHUXGOBWIHOY-DZKIICNBSA-N 1 1 349.431 0.307 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]21 ZINC000974720966 742106711 /nfs/dbraw/zinc/10/67/11/742106711.db2.gz CJWIWGLUEPUOSK-KLHDSHLOSA-N 1 1 349.475 0.977 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]21 ZINC000974720966 742106713 /nfs/dbraw/zinc/10/67/13/742106713.db2.gz CJWIWGLUEPUOSK-KLHDSHLOSA-N 1 1 349.475 0.977 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974752815 742147514 /nfs/dbraw/zinc/14/75/14/742147514.db2.gz MRJDUWIUGXGJMV-GFCCVEGCSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C(C)(C)C1 ZINC000974764885 742154110 /nfs/dbraw/zinc/15/41/10/742154110.db2.gz FQWMROZFCQEOPM-ZDUSSCGKSA-N 1 1 328.372 0.486 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C(C)(C)C1 ZINC000974764885 742154111 /nfs/dbraw/zinc/15/41/11/742154111.db2.gz FQWMROZFCQEOPM-ZDUSSCGKSA-N 1 1 328.372 0.486 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C(C)(C)C1 ZINC000974765542 742154711 /nfs/dbraw/zinc/15/47/11/742154711.db2.gz LPQVARUOHHWQRU-CYBMUJFWSA-N 1 1 330.392 0.946 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000974791348 742194923 /nfs/dbraw/zinc/19/49/23/742194923.db2.gz PLAXMJHGCMGPHN-OAHLLOKOSA-N 1 1 346.431 0.353 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C(C)(C)C1 ZINC000974888208 742307037 /nfs/dbraw/zinc/30/70/37/742307037.db2.gz ACKZNABLWKKEFM-AWEZNQCLSA-N 1 1 330.432 0.861 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000975000444 742428406 /nfs/dbraw/zinc/42/84/06/742428406.db2.gz YETLACXEJBUMLK-HOTGVXAUSA-N 1 1 340.427 0.546 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000975000444 742428408 /nfs/dbraw/zinc/42/84/08/742428408.db2.gz YETLACXEJBUMLK-HOTGVXAUSA-N 1 1 340.427 0.546 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1NC(=O)C(N)=O ZINC000974984530 742433101 /nfs/dbraw/zinc/43/31/01/742433101.db2.gz MZGFWNXMFKRWRI-AWEZNQCLSA-N 1 1 330.388 0.401 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1 ZINC000975031494 742463137 /nfs/dbraw/zinc/46/31/37/742463137.db2.gz QTTZFXWHOWYAPL-ILXRZTDVSA-N 1 1 335.448 0.472 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3c[nH]cn3)C(C)(C)C2)C1=O ZINC000975100564 742481387 /nfs/dbraw/zinc/48/13/87/742481387.db2.gz YCAFSJIQPMBOPG-HUUCEWRRSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3c[nH]cn3)C(C)(C)C2)C1=O ZINC000975100564 742481391 /nfs/dbraw/zinc/48/13/91/742481391.db2.gz YCAFSJIQPMBOPG-HUUCEWRRSA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)C#N)C[C@@]2(C)C1 ZINC000982233163 751737757 /nfs/dbraw/zinc/73/77/57/751737757.db2.gz JQYVCJMHTPLGBV-RUZGCFLTSA-N 1 1 332.448 0.984 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@]2(C)CN(C(=O)CC(N)=O)C[C@@]2(C)C1 ZINC000982240667 751740038 /nfs/dbraw/zinc/74/00/38/751740038.db2.gz PUJJVRDYUBRIDX-OKILXGFUSA-N 1 1 344.253 0.941 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@]2(C)CN(C(=O)CC(N)=O)C[C@@]2(C)C1 ZINC000982240667 751740041 /nfs/dbraw/zinc/74/00/41/751740041.db2.gz PUJJVRDYUBRIDX-OKILXGFUSA-N 1 1 344.253 0.941 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](CCS(C)(=O)=O)C[C@]2(C)C1 ZINC000982236654 751746806 /nfs/dbraw/zinc/74/68/06/751746806.db2.gz MSTXFFKMVGZBPA-AEGPPILISA-N 1 1 327.450 0.361 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CCS(C)(=O)=O)C[C@]2(C)C1 ZINC000982236654 751746809 /nfs/dbraw/zinc/74/68/09/751746809.db2.gz MSTXFFKMVGZBPA-AEGPPILISA-N 1 1 327.450 0.361 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000975328260 742721729 /nfs/dbraw/zinc/72/17/29/742721729.db2.gz KPETZCOFAPOKLR-IXDOHACOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000975328260 742721732 /nfs/dbraw/zinc/72/17/32/742721732.db2.gz KPETZCOFAPOKLR-IXDOHACOSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3coc(OC)n3)C2)nn1 ZINC001098692320 742912396 /nfs/dbraw/zinc/91/23/96/742912396.db2.gz DYLZFXACEJWDDB-LBPRGKRZSA-N 1 1 332.364 0.638 20 30 ECEDMO N#Cc1cc(C(=O)NCC[NH2+]Cc2ncnn2-c2ccccc2)c[nH]1 ZINC001125987900 742925305 /nfs/dbraw/zinc/92/53/05/742925305.db2.gz HGCYWDQYIXRDGS-UHFFFAOYSA-N 1 1 335.371 0.987 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001028977134 743041912 /nfs/dbraw/zinc/04/19/12/743041912.db2.gz UVJNZEJBXYYMAB-OAHLLOKOSA-N 1 1 328.416 0.930 20 30 ECEDMO CCO[C@H](CC)C(=O)NC[C@H]1C[N@H+](CC#CCOC)CCCO1 ZINC001149310228 743127868 /nfs/dbraw/zinc/12/78/68/743127868.db2.gz MBNKTBJVXQYFMX-JKSUJKDBSA-N 1 1 326.437 0.658 20 30 ECEDMO CCO[C@H](CC)C(=O)NC[C@H]1C[N@@H+](CC#CCOC)CCCO1 ZINC001149310228 743127873 /nfs/dbraw/zinc/12/78/73/743127873.db2.gz MBNKTBJVXQYFMX-JKSUJKDBSA-N 1 1 326.437 0.658 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)n2cccn2)C1 ZINC001111601367 743136865 /nfs/dbraw/zinc/13/68/65/743136865.db2.gz XYYLNMVDBFJTFA-MPGHIAIKSA-N 1 1 345.447 0.717 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)n2cccn2)C1 ZINC001111601367 743136870 /nfs/dbraw/zinc/13/68/70/743136870.db2.gz XYYLNMVDBFJTFA-MPGHIAIKSA-N 1 1 345.447 0.717 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997049038 743169233 /nfs/dbraw/zinc/16/92/33/743169233.db2.gz JFIJLNFBCANSJR-HZEYSBKDSA-N 1 1 333.432 0.389 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000997086835 743214442 /nfs/dbraw/zinc/21/44/42/743214442.db2.gz BDMLEXWYINUZDE-AWEZNQCLSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cn1 ZINC000997101702 743236138 /nfs/dbraw/zinc/23/61/38/743236138.db2.gz KNBWQJMXVGXVNP-INIZCTEOSA-N 1 1 349.394 0.778 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 ZINC000975700621 743249179 /nfs/dbraw/zinc/24/91/79/743249179.db2.gz KJXDVEYWYYTMRL-BBWFWOEESA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000975854312 743355887 /nfs/dbraw/zinc/35/58/87/743355887.db2.gz XWTCSPVOCDWGGV-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000975854312 743355895 /nfs/dbraw/zinc/35/58/95/743355895.db2.gz XWTCSPVOCDWGGV-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC000975854273 743356164 /nfs/dbraw/zinc/35/61/64/743356164.db2.gz OGTQXFIBOPUALP-CVEARBPZSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC000975854273 743356172 /nfs/dbraw/zinc/35/61/72/743356172.db2.gz OGTQXFIBOPUALP-CVEARBPZSA-N 1 1 343.431 0.618 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000997251440 743409076 /nfs/dbraw/zinc/40/90/76/743409076.db2.gz ZRMGJKMNWRNFHY-RDTXWAMCSA-N 1 1 339.439 0.878 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291547 743454097 /nfs/dbraw/zinc/45/40/97/743454097.db2.gz RJEBWAYCXPIOHR-INIZCTEOSA-N 1 1 339.403 0.668 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291547 743454100 /nfs/dbraw/zinc/45/41/00/743454100.db2.gz RJEBWAYCXPIOHR-INIZCTEOSA-N 1 1 339.403 0.668 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC000997335031 743501569 /nfs/dbraw/zinc/50/15/69/743501569.db2.gz OTXFLAZQKWNFFO-DYVFJYSZSA-N 1 1 325.412 0.806 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)CC1 ZINC000997362903 743535045 /nfs/dbraw/zinc/53/50/45/743535045.db2.gz DQWRVQBYATUVAS-MRXNPFEDSA-N 1 1 333.476 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnsn3)C2)C1=O ZINC001027315648 743629163 /nfs/dbraw/zinc/62/91/63/743629163.db2.gz BTFPMJNVXVPLSG-GXTWGEPZSA-N 1 1 349.460 0.861 20 30 ECEDMO Cn1nncc1C[N@@H+]1C[C@@]2(C)CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000982278449 751849622 /nfs/dbraw/zinc/84/96/22/751849622.db2.gz DDBAGQQRBZMQOX-HDICACEKSA-N 1 1 327.432 0.899 20 30 ECEDMO Cn1nncc1C[N@H+]1C[C@@]2(C)CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000982278449 751849633 /nfs/dbraw/zinc/84/96/33/751849633.db2.gz DDBAGQQRBZMQOX-HDICACEKSA-N 1 1 327.432 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ccnn3C)C2)C1=O ZINC001027326825 743743442 /nfs/dbraw/zinc/74/34/42/743743442.db2.gz CCGTZDUVARQTSN-CABCVRRESA-N 1 1 345.447 0.743 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000976287549 743789195 /nfs/dbraw/zinc/78/91/95/743789195.db2.gz ULMIXZZGFJNBCP-DLTWYDFYSA-N 1 1 342.443 0.955 20 30 ECEDMO COCc1noc(C[NH2+]CC2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC000997764922 743798838 /nfs/dbraw/zinc/79/88/38/743798838.db2.gz VUJOWCLHZFTDPO-UHFFFAOYSA-N 1 1 332.404 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnco1 ZINC000997773369 743802328 /nfs/dbraw/zinc/80/23/28/743802328.db2.gz DACRSYGRQOUQFA-QPSCCSFWSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnco1 ZINC000997773369 743802332 /nfs/dbraw/zinc/80/23/32/743802332.db2.gz DACRSYGRQOUQFA-QPSCCSFWSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[C@@H]1C ZINC000997775640 743804400 /nfs/dbraw/zinc/80/44/00/743804400.db2.gz ZCORDAVOIFBHPR-FQMQPWHVSA-N 1 1 329.444 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[C@@H]1C ZINC000997775640 743804403 /nfs/dbraw/zinc/80/44/03/743804403.db2.gz ZCORDAVOIFBHPR-FQMQPWHVSA-N 1 1 329.444 0.988 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001027348429 743867050 /nfs/dbraw/zinc/86/70/50/743867050.db2.gz BHCGEXLHUUVYEA-CVEARBPZSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001027348429 743867054 /nfs/dbraw/zinc/86/70/54/743867054.db2.gz BHCGEXLHUUVYEA-CVEARBPZSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)c3[nH]nnc3C)CC2)C1=O ZINC000997958537 743905064 /nfs/dbraw/zinc/90/50/64/743905064.db2.gz IONFEDSYNQRINK-AWEZNQCLSA-N 1 1 346.435 0.342 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000998147649 744005322 /nfs/dbraw/zinc/00/53/22/744005322.db2.gz WPAQHVSQJFCITJ-AAEUAGOBSA-N 1 1 329.404 0.557 20 30 ECEDMO C[N@@H+]([C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@H]1CCC(=O)NC1=O ZINC001027371507 744015924 /nfs/dbraw/zinc/01/59/24/744015924.db2.gz DAIZYRXMZJWUQE-OCCSQVGLSA-N 1 1 343.387 0.228 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000998178026 744031773 /nfs/dbraw/zinc/03/17/73/744031773.db2.gz KZIPWRHHMBNNLV-UGQVUOCMSA-N 1 1 335.448 0.635 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000976534296 744059139 /nfs/dbraw/zinc/05/91/39/744059139.db2.gz WYCHYXPHJDXLJG-WNRNVDISSA-N 1 1 337.423 0.806 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ncc[nH]3)C2)C1=O ZINC001027404903 744201791 /nfs/dbraw/zinc/20/17/91/744201791.db2.gz KLWAFUUZSHVWNR-UONOGXRCSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000998555990 744225564 /nfs/dbraw/zinc/22/55/64/744225564.db2.gz KAZSTGUIMGGKMN-JXQTWKCFSA-N 1 1 331.420 0.698 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001027435178 744382750 /nfs/dbraw/zinc/38/27/50/744382750.db2.gz ZQDQKYALFOFTLV-ZDUSSCGKSA-N 1 1 349.884 0.697 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001027435178 744382754 /nfs/dbraw/zinc/38/27/54/744382754.db2.gz ZQDQKYALFOFTLV-ZDUSSCGKSA-N 1 1 349.884 0.697 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nncn1C ZINC000998960008 744431333 /nfs/dbraw/zinc/43/13/33/744431333.db2.gz CKQKEVAQAZAYTE-YPMHNXCESA-N 1 1 327.392 0.970 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2nncn2C)C1 ZINC001027446301 744484113 /nfs/dbraw/zinc/48/41/13/744484113.db2.gz FSNZYVLNGBOBRM-CVEARBPZSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2nncn2C)C1 ZINC001027446301 744484114 /nfs/dbraw/zinc/48/41/14/744484114.db2.gz FSNZYVLNGBOBRM-CVEARBPZSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2cnon2)C1 ZINC001027446566 744486814 /nfs/dbraw/zinc/48/68/14/744486814.db2.gz NQCDCLFVCQEEQS-HOTGVXAUSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2cnon2)C1 ZINC001027446566 744486818 /nfs/dbraw/zinc/48/68/18/744486818.db2.gz NQCDCLFVCQEEQS-HOTGVXAUSA-N 1 1 331.420 0.590 20 30 ECEDMO C=C1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC000999107935 744516770 /nfs/dbraw/zinc/51/67/70/744516770.db2.gz MAGIDTOMWGRBFY-INIZCTEOSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC000999107935 744516772 /nfs/dbraw/zinc/51/67/72/744516772.db2.gz MAGIDTOMWGRBFY-INIZCTEOSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000999112356 744518491 /nfs/dbraw/zinc/51/84/91/744518491.db2.gz FLQGKFCETTXZQS-DLBZAZTESA-N 1 1 347.459 0.923 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001087421309 744566142 /nfs/dbraw/zinc/56/61/42/744566142.db2.gz XMTGTRHHYJMSKA-HZPDHXFCSA-N 1 1 326.404 0.833 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)CC[N@H+]1C ZINC000977024575 744577166 /nfs/dbraw/zinc/57/71/66/744577166.db2.gz BTEVYVQWIQDDOH-KISBBLTOSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nnc(C)o2)C1 ZINC000999390183 744670635 /nfs/dbraw/zinc/67/06/35/744670635.db2.gz DZXKQWFUJWKYAK-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nnc(C)o2)C1 ZINC000999390183 744670637 /nfs/dbraw/zinc/67/06/37/744670637.db2.gz DZXKQWFUJWKYAK-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(N(C)C)no2)C1 ZINC000999426841 744692870 /nfs/dbraw/zinc/69/28/70/744692870.db2.gz DWVSSIJSPBUXML-PQAZSJQKSA-N 1 1 349.435 0.806 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1=O ZINC001027475789 744710946 /nfs/dbraw/zinc/71/09/46/744710946.db2.gz ZOPZZFIGBCLXKZ-TZMCWYRMSA-N 1 1 332.408 0.128 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001027484959 744747515 /nfs/dbraw/zinc/74/75/15/744747515.db2.gz NQBLWEKZYRGJNJ-HNNXBMFYSA-N 1 1 329.400 0.720 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977301762 744846482 /nfs/dbraw/zinc/84/64/82/744846482.db2.gz IRWIQPBGOUBVKG-ZIAGYGMSSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977301762 744846486 /nfs/dbraw/zinc/84/64/86/744846486.db2.gz IRWIQPBGOUBVKG-ZIAGYGMSSA-N 1 1 348.451 0.558 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000977310457 744853630 /nfs/dbraw/zinc/85/36/30/744853630.db2.gz PWEUAWKRXNRAJJ-JKGQDXBKSA-N 1 1 334.420 0.377 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001027514395 744915530 /nfs/dbraw/zinc/91/55/30/744915530.db2.gz HXAQPRCIIKHLMU-LBPRGKRZSA-N 1 1 330.396 0.416 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1C ZINC001088565164 751955699 /nfs/dbraw/zinc/95/56/99/751955699.db2.gz FWPOETMKUSXEMG-NFAWXSAZSA-N 1 1 329.404 0.365 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CC(NCc3cn(C)nn3)C2)CC1 ZINC000999869145 744969940 /nfs/dbraw/zinc/96/99/40/744969940.db2.gz FCVGYKIIGUUBSF-UHFFFAOYSA-N 1 1 344.463 0.239 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000999891623 745018690 /nfs/dbraw/zinc/01/86/90/745018690.db2.gz NVMOHXGTDXUWQZ-BLLLJJGKSA-N 1 1 326.400 0.201 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn[nH]3)nn2)C1 ZINC000999954080 745093448 /nfs/dbraw/zinc/09/34/48/745093448.db2.gz DDIDIIICPQFWRZ-LBPRGKRZSA-N 1 1 335.799 0.931 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccn[nH]3)nn2)C1 ZINC000999954080 745093454 /nfs/dbraw/zinc/09/34/54/745093454.db2.gz DDIDIIICPQFWRZ-LBPRGKRZSA-N 1 1 335.799 0.931 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C)cn3)nn2)C1 ZINC000999954547 745094434 /nfs/dbraw/zinc/09/44/34/745094434.db2.gz ZXYJWUJWCMEGKQ-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 ZINC000999956081 745095681 /nfs/dbraw/zinc/09/56/81/745095681.db2.gz NBLIESOKJDVOGP-HUUCEWRRSA-N 1 1 335.408 0.133 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1)C(=O)[C@H]1CCC[N@H+]1C ZINC000977495388 745096737 /nfs/dbraw/zinc/09/67/37/745096737.db2.gz ZBWWYSWGGWUCDX-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnsn3)nn2)C1 ZINC000999958360 745099293 /nfs/dbraw/zinc/09/92/93/745099293.db2.gz ZFYRYAOAWWLENN-LBPRGKRZSA-N 1 1 331.405 0.330 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(CC)c3)nn2)C1 ZINC000999961204 745104002 /nfs/dbraw/zinc/10/40/02/745104002.db2.gz IJCDSDRKEPIWKN-HNNXBMFYSA-N 1 1 329.408 0.857 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)CC2(C)C)cn1 ZINC000977519874 745112015 /nfs/dbraw/zinc/11/20/15/745112015.db2.gz ZGQRFYYARPGKGV-MRXNPFEDSA-N 1 1 338.415 0.795 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc[nH]c(=O)c3)nn2)C1 ZINC000999973289 745121894 /nfs/dbraw/zinc/12/18/94/745121894.db2.gz YPNKMTNDPJCMDX-OAHLLOKOSA-N 1 1 340.387 0.579 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(OC)no3)nn2)C1 ZINC000999973444 745122117 /nfs/dbraw/zinc/12/21/17/745122117.db2.gz FVJODDQPVFWWPG-LBPRGKRZSA-N 1 1 332.364 0.638 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 ZINC000999976856 745125421 /nfs/dbraw/zinc/12/54/21/745125421.db2.gz XRVNXWYQEMSVJN-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 ZINC000999977097 745126208 /nfs/dbraw/zinc/12/62/08/745126208.db2.gz ACBQKSCKPFPOTD-CQSZACIVSA-N 1 1 327.392 0.212 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)sn3)nn2)C1 ZINC000999977426 745126420 /nfs/dbraw/zinc/12/64/20/745126420.db2.gz BZBAIVFSICIJHO-CYBMUJFWSA-N 1 1 330.417 0.853 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)cn1 ZINC000977510076 745128037 /nfs/dbraw/zinc/12/80/37/745128037.db2.gz GSTLBRPIIILKIW-HZPDHXFCSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)cn1 ZINC000977510076 745128040 /nfs/dbraw/zinc/12/80/40/745128040.db2.gz GSTLBRPIIILKIW-HZPDHXFCSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCOCC3)nn2)C1 ZINC000999985776 745139395 /nfs/dbraw/zinc/13/93/95/745139395.db2.gz PTVWTZFJWAMHHR-HOCLYGCPSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nn(C)cc3C)nn2)C1 ZINC000999990393 745147605 /nfs/dbraw/zinc/14/76/05/745147605.db2.gz JYYMTZXLWYBVHK-AWEZNQCLSA-N 1 1 327.392 0.130 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000977529244 745149950 /nfs/dbraw/zinc/14/99/50/745149950.db2.gz MESYFANXKGSIRZ-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[N@@H+](CC(=O)NC)CC1(C)C ZINC000977534460 745157450 /nfs/dbraw/zinc/15/74/50/745157450.db2.gz LSCAPWXRAJORJR-INIZCTEOSA-N 1 1 327.428 0.783 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[N@H+](CC(=O)NC)CC1(C)C ZINC000977534460 745157456 /nfs/dbraw/zinc/15/74/56/745157456.db2.gz LSCAPWXRAJORJR-INIZCTEOSA-N 1 1 327.428 0.783 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCCO[C@H]3C)nn2)C1 ZINC000999997937 745158415 /nfs/dbraw/zinc/15/84/15/745158415.db2.gz PIAZVRLFGRTKFJ-BPUTZDHNSA-N 1 1 349.435 0.521 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)nn2)C1 ZINC001000008616 745175834 /nfs/dbraw/zinc/17/58/34/745175834.db2.gz JJUOFPMVPHIPSF-WCVJEAGWSA-N 1 1 329.404 0.057 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3CC)nn2)C1 ZINC001000013704 745182983 /nfs/dbraw/zinc/18/29/83/745182983.db2.gz IRTSXEJPSTWMMN-BBWFWOEESA-N 1 1 345.447 0.980 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC(=O)N3C)nn2)C1 ZINC001000016186 745186075 /nfs/dbraw/zinc/18/60/75/745186075.db2.gz QWTULADQGUTYOH-CABCVRRESA-N 1 1 346.435 0.338 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3csc(=O)[nH]3)nn2)C1 ZINC001000018704 745188720 /nfs/dbraw/zinc/18/87/20/745188720.db2.gz ZJYZHNZRLCUBSO-LLVKDONJSA-N 1 1 332.389 0.250 20 30 ECEDMO C#Cc1cncc(C(=O)NCc2cn([C@@H]3CC[N@H+](CC#CC)C3)nn2)c1 ZINC001000021611 745192093 /nfs/dbraw/zinc/19/20/93/745192093.db2.gz QPIFOUSYKVVFGU-GOSISDBHSA-N 1 1 348.410 0.855 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccnc3OC)nn2)C1 ZINC001000021674 745192788 /nfs/dbraw/zinc/19/27/88/745192788.db2.gz RULMSSIFABFHDD-CQSZACIVSA-N 1 1 340.387 0.492 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C(N)=O)[nH]3)nn2)C1 ZINC001000023525 745194346 /nfs/dbraw/zinc/19/43/46/745194346.db2.gz CVRVZABXNFNRNI-LBPRGKRZSA-N 1 1 343.391 0.068 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001000025625 745196738 /nfs/dbraw/zinc/19/67/38/745196738.db2.gz RIXHBMJAEVFLOA-AWEZNQCLSA-N 1 1 347.810 0.997 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001000025625 745196741 /nfs/dbraw/zinc/19/67/41/745196741.db2.gz RIXHBMJAEVFLOA-AWEZNQCLSA-N 1 1 347.810 0.997 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccn4ccnc34)nn2)C1 ZINC001000032119 745205855 /nfs/dbraw/zinc/20/58/55/745205855.db2.gz PUCXHLVXGCGBEO-HNNXBMFYSA-N 1 1 349.398 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3oc(CC)nc3C)nn2)C1 ZINC001000038439 745216828 /nfs/dbraw/zinc/21/68/28/745216828.db2.gz WDXDFLOQUXCUOE-AWEZNQCLSA-N 1 1 342.403 0.947 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]cnc3CC)nn2)C1 ZINC001000045805 745226626 /nfs/dbraw/zinc/22/66/26/745226626.db2.gz QIGBJIXFZBYQAI-CYBMUJFWSA-N 1 1 327.392 0.374 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC000977596579 745234219 /nfs/dbraw/zinc/23/42/19/745234219.db2.gz FNXPPKSWPZTKLK-CQSZACIVSA-N 1 1 340.387 0.764 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000977606240 745259799 /nfs/dbraw/zinc/25/97/99/745259799.db2.gz SOQRLUQOSLUDJI-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001006938219 751989407 /nfs/dbraw/zinc/98/94/07/751989407.db2.gz LORGGHSOOJSABX-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001006938219 751989411 /nfs/dbraw/zinc/98/94/11/751989411.db2.gz LORGGHSOOJSABX-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059238746 745325834 /nfs/dbraw/zinc/32/58/34/745325834.db2.gz REDRBJIRHFSZSV-MGPQQGTHSA-N 1 1 328.420 0.704 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3cn(CC)nn3)C2)nn1 ZINC001000405663 745478620 /nfs/dbraw/zinc/47/86/20/745478620.db2.gz SZICOHIHMWSNFR-ZDUSSCGKSA-N 1 1 344.423 0.470 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001020713924 752016769 /nfs/dbraw/zinc/01/67/69/752016769.db2.gz IVCQJXOCAFZFAT-YTFOTSKYSA-N 1 1 348.451 0.879 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 ZINC001075795441 745567728 /nfs/dbraw/zinc/56/77/28/745567728.db2.gz SPEHLEDNBGHDDG-UONOGXRCSA-N 1 1 331.416 0.328 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CN(C(=O)COCC(F)F)C[C@]2(C)C1 ZINC001101311453 745570078 /nfs/dbraw/zinc/57/00/78/745570078.db2.gz AHEDCHLZQBOOFJ-CJNGLKHVSA-N 1 1 330.375 0.698 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001006968097 752016763 /nfs/dbraw/zinc/01/67/63/752016763.db2.gz XAPYTWIADURHRV-JKSUJKDBSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001006968097 752016767 /nfs/dbraw/zinc/01/67/67/752016767.db2.gz XAPYTWIADURHRV-JKSUJKDBSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cn1ccnc1 ZINC000977921837 745651579 /nfs/dbraw/zinc/65/15/79/745651579.db2.gz VESOBDFNBMUNRS-CVEARBPZSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cn1ccnc1 ZINC000977921837 745651581 /nfs/dbraw/zinc/65/15/81/745651581.db2.gz VESOBDFNBMUNRS-CVEARBPZSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C(C)(F)F ZINC000977924283 745677202 /nfs/dbraw/zinc/67/72/02/745677202.db2.gz FMNBZMRWQZIBRU-OLZOCXBDSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C(C)(F)F ZINC000977924283 745677207 /nfs/dbraw/zinc/67/72/07/745677207.db2.gz FMNBZMRWQZIBRU-OLZOCXBDSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001027573762 745680215 /nfs/dbraw/zinc/68/02/15/745680215.db2.gz HPGDMWNTCBWEOI-BBWFWOEESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cscn1 ZINC000977929332 745684788 /nfs/dbraw/zinc/68/47/88/745684788.db2.gz QAVHDZDBEFSJTE-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cscn1 ZINC000977929332 745684792 /nfs/dbraw/zinc/68/47/92/745684792.db2.gz QAVHDZDBEFSJTE-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cncn1C ZINC000977956692 745714330 /nfs/dbraw/zinc/71/43/30/745714330.db2.gz BHOHUZBTSWOICO-CABCVRRESA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cncn1C ZINC000977956692 745714331 /nfs/dbraw/zinc/71/43/31/745714331.db2.gz BHOHUZBTSWOICO-CABCVRRESA-N 1 1 343.431 0.191 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@]34C[C@H]3COC4)CC2)C1=O ZINC001000713645 745716233 /nfs/dbraw/zinc/71/62/33/745716233.db2.gz JKFNGQSXBPJXPT-BXWFABGCSA-N 1 1 345.443 0.558 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000984037093 745724324 /nfs/dbraw/zinc/72/43/24/745724324.db2.gz FMZRMQMGEOBIDG-HUUCEWRRSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982352820 752027745 /nfs/dbraw/zinc/02/77/45/752027745.db2.gz LPDXLRIURMGQFS-HDICACEKSA-N 1 1 333.432 0.882 20 30 ECEDMO C[C@H](c1nncn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977976514 745736212 /nfs/dbraw/zinc/73/62/12/745736212.db2.gz LZKAAGNRYLGUTC-ZRJCITRHSA-N 1 1 339.403 0.684 20 30 ECEDMO C[C@H](c1nncn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977976514 745736216 /nfs/dbraw/zinc/73/62/16/745736216.db2.gz LZKAAGNRYLGUTC-ZRJCITRHSA-N 1 1 339.403 0.684 20 30 ECEDMO CCn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)nn1 ZINC000977984192 745747744 /nfs/dbraw/zinc/74/77/44/745747744.db2.gz ZLEUUUXUAZIBAX-QKDCVEJESA-N 1 1 339.403 0.606 20 30 ECEDMO CCn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)nn1 ZINC000977984192 745747748 /nfs/dbraw/zinc/74/77/48/745747748.db2.gz ZLEUUUXUAZIBAX-QKDCVEJESA-N 1 1 339.403 0.606 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nc(C)no1 ZINC001029342563 745758900 /nfs/dbraw/zinc/75/89/00/745758900.db2.gz URQXPPKNTDMECS-XHSDSOJGSA-N 1 1 343.431 0.651 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nc(C)no1 ZINC001029342563 745758919 /nfs/dbraw/zinc/75/89/19/745758919.db2.gz URQXPPKNTDMECS-XHSDSOJGSA-N 1 1 343.431 0.651 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001000791102 745768039 /nfs/dbraw/zinc/76/80/39/745768039.db2.gz LZBCBDRZHPMAQB-SJORKVTESA-N 1 1 344.459 0.111 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000982355102 752031750 /nfs/dbraw/zinc/03/17/50/752031750.db2.gz AXJLGNMSQNRULT-WBVHZDCISA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000982355102 752031760 /nfs/dbraw/zinc/03/17/60/752031760.db2.gz AXJLGNMSQNRULT-WBVHZDCISA-N 1 1 340.427 0.758 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087534653 745814594 /nfs/dbraw/zinc/81/45/94/745814594.db2.gz FCNRSFGVUXNUJO-DZGCQCFKSA-N 1 1 329.404 0.748 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087534653 745814599 /nfs/dbraw/zinc/81/45/99/745814599.db2.gz FCNRSFGVUXNUJO-DZGCQCFKSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001000858955 745832530 /nfs/dbraw/zinc/83/25/30/745832530.db2.gz NSJZKNAZXPLQOZ-AWEZNQCLSA-N 1 1 329.404 0.318 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)s1 ZINC000978110233 745918816 /nfs/dbraw/zinc/91/88/16/745918816.db2.gz LNBFVNYEHZRPTI-FQUUOJAGSA-N 1 1 346.412 0.522 20 30 ECEDMO NC(=O)CC(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC001041986222 782550853 /nfs/dbraw/zinc/55/08/53/782550853.db2.gz OPMTTZZVIFIHEG-WBVHZDCISA-N 1 1 343.402 0.975 20 30 ECEDMO Cn1nnc(C(=O)NCC2=CC[N@H+](Cc3ccc(C#N)s3)CC2)n1 ZINC001001057897 746025524 /nfs/dbraw/zinc/02/55/24/746025524.db2.gz RJWABXOZNFQQJD-UHFFFAOYSA-N 1 1 343.416 0.705 20 30 ECEDMO Cn1nnc(C(=O)NCC2=CC[N@@H+](Cc3ccc(C#N)s3)CC2)n1 ZINC001001057897 746025527 /nfs/dbraw/zinc/02/55/27/746025527.db2.gz RJWABXOZNFQQJD-UHFFFAOYSA-N 1 1 343.416 0.705 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C(F)(F)F)nn3C)[C@@H]2C1 ZINC000978220175 746031967 /nfs/dbraw/zinc/03/19/67/746031967.db2.gz NDPYPOXLRGLGMF-RTCCRHLQSA-N 1 1 326.322 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnnn3C)[C@H]2CC)C1=O ZINC001087560072 746032186 /nfs/dbraw/zinc/03/21/86/746032186.db2.gz NCNXENLYQOYUCN-BFHYXJOUSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnnn3C)[C@H]2CC)C1=O ZINC001087560072 746032194 /nfs/dbraw/zinc/03/21/94/746032194.db2.gz NCNXENLYQOYUCN-BFHYXJOUSA-N 1 1 346.435 0.185 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c1 ZINC001007029130 752054136 /nfs/dbraw/zinc/05/41/36/752054136.db2.gz LHERXVUJSDRRGF-ZFWWWQNUSA-N 1 1 343.431 0.997 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000978235298 746069661 /nfs/dbraw/zinc/06/96/61/746069661.db2.gz NIVLKKXDFHBTHP-IRXDYDNUSA-N 1 1 347.459 0.568 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1CC ZINC001087570430 746074539 /nfs/dbraw/zinc/07/45/39/746074539.db2.gz RXQQWPCOXPUWEU-CWRNSKLLSA-N 1 1 343.431 0.755 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)[C@@H]2C1 ZINC000978237622 746092466 /nfs/dbraw/zinc/09/24/66/746092466.db2.gz CYQICTRWSQOGMS-FPCVCCKLSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4cc[nH]cc-4c3=O)[C@@H]2C1 ZINC000978259872 746104887 /nfs/dbraw/zinc/10/48/87/746104887.db2.gz RRZFLVKNQQIMAG-DVSIDAKKSA-N 1 1 336.395 0.854 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@H]1CC ZINC001087598561 746108467 /nfs/dbraw/zinc/10/84/67/746108467.db2.gz NRHUSMHXPRGJFD-QWHCGFSZSA-N 1 1 327.388 0.890 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(CC(C)C)C3)[C@@H]2C1 ZINC000978273414 746133183 /nfs/dbraw/zinc/13/31/83/746133183.db2.gz RDXMMDCKIMNLKO-LUKYLMHMSA-N 1 1 331.460 0.808 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001001172497 746134865 /nfs/dbraw/zinc/13/48/65/746134865.db2.gz ZCFYWMIIOHISAU-XYPHTWIQSA-N 1 1 347.459 0.993 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001001172497 746134867 /nfs/dbraw/zinc/13/48/67/746134867.db2.gz ZCFYWMIIOHISAU-XYPHTWIQSA-N 1 1 347.459 0.993 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2c(C)c[nH]c2CC(N)=O)CC1 ZINC001001180637 746143148 /nfs/dbraw/zinc/14/31/48/746143148.db2.gz ZPCOPEBMRIXHGB-UHFFFAOYSA-N 1 1 328.416 0.736 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccn(C)n3)C2)nn1 ZINC001027607435 746170021 /nfs/dbraw/zinc/17/00/21/746170021.db2.gz WGAWBYSPAHVYIR-OAHLLOKOSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccn(C)n3)C2)nn1 ZINC001027607435 746170025 /nfs/dbraw/zinc/17/00/25/746170025.db2.gz WGAWBYSPAHVYIR-OAHLLOKOSA-N 1 1 343.435 0.934 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1CC ZINC001087679747 746179343 /nfs/dbraw/zinc/17/93/43/746179343.db2.gz FYLPDHVWFMVUCY-QWHCGFSZSA-N 1 1 342.407 0.300 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087690492 746195878 /nfs/dbraw/zinc/19/58/78/746195878.db2.gz DRWFUHHQTJNDPG-JKSUJKDBSA-N 1 1 338.415 0.845 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087690492 746195881 /nfs/dbraw/zinc/19/58/81/746195881.db2.gz DRWFUHHQTJNDPG-JKSUJKDBSA-N 1 1 338.415 0.845 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@H+]([C@@H](C)C(N)=O)CC2)nn1 ZINC001001244580 746202740 /nfs/dbraw/zinc/20/27/40/746202740.db2.gz GRNJJOBYLVSAGP-LBPRGKRZSA-N 1 1 332.408 0.090 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@@H+]([C@@H](C)C(N)=O)CC2)nn1 ZINC001001244580 746202741 /nfs/dbraw/zinc/20/27/41/746202741.db2.gz GRNJJOBYLVSAGP-LBPRGKRZSA-N 1 1 332.408 0.090 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@]2(C)C1 ZINC000982377475 752072504 /nfs/dbraw/zinc/07/25/04/752072504.db2.gz WRBRBGJZKFTAOF-OHQAAIJDSA-N 1 1 347.459 0.603 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H]1CC ZINC001087723897 746246868 /nfs/dbraw/zinc/24/68/68/746246868.db2.gz LETCIXIKHYDNOO-JJXSEGSLSA-N 1 1 335.448 0.615 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3c[nH]cn3)[C@H]2CC)C1=O ZINC001087741756 746264430 /nfs/dbraw/zinc/26/44/30/746264430.db2.gz YXIJUXYRRWCOLM-ARFHVFGLSA-N 1 1 345.447 0.708 20 30 ECEDMO CC(C)(C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1)c1c[nH]cn1 ZINC001001341202 746291379 /nfs/dbraw/zinc/29/13/79/746291379.db2.gz IXKKUXAVLZARTP-UHFFFAOYSA-N 1 1 340.387 0.775 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001356616 746303583 /nfs/dbraw/zinc/30/35/83/746303583.db2.gz JAZXICBLXXMQJM-RISCZKNCSA-N 1 1 329.404 0.272 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn[nH]1)C2 ZINC001001438068 746376105 /nfs/dbraw/zinc/37/61/05/746376105.db2.gz FTQNLBHITOHAJH-OJLVUWQFSA-N 1 1 341.415 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn[nH]1)C2 ZINC001001438068 746376110 /nfs/dbraw/zinc/37/61/10/746376110.db2.gz FTQNLBHITOHAJH-OJLVUWQFSA-N 1 1 341.415 0.369 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4c(c3)nnn4C)[C@@H]2C1 ZINC000978499939 746376097 /nfs/dbraw/zinc/37/60/97/746376097.db2.gz SYQLTTIJXBMKRF-ZSOGYDGISA-N 1 1 326.404 0.847 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3CC(F)F)[C@@H]2C1 ZINC000978526236 746405297 /nfs/dbraw/zinc/40/52/97/746405297.db2.gz NJTDYXBAULHEIQ-FQUUOJAGSA-N 1 1 329.391 0.432 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nnc(C)n3C2)CC1 ZINC001001467425 746409446 /nfs/dbraw/zinc/40/94/46/746409446.db2.gz JFHKOAOVNYAHHS-INIZCTEOSA-N 1 1 327.432 0.921 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnoc3-c3cnn(C)c3)[C@@H]2C1 ZINC000978530397 746410397 /nfs/dbraw/zinc/41/03/97/746410397.db2.gz YWHCFSXAAUYZNM-XMQYKBBCSA-N 1 1 325.372 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000978565138 746446435 /nfs/dbraw/zinc/44/64/35/746446435.db2.gz HBTHOIJEBWSFQN-FZKCQIBNSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000978565138 746446439 /nfs/dbraw/zinc/44/64/39/746446439.db2.gz HBTHOIJEBWSFQN-FZKCQIBNSA-N 1 1 333.432 0.274 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000984468613 746483416 /nfs/dbraw/zinc/48/34/16/746483416.db2.gz KXOGAIIRQCSSDS-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000984468613 746483418 /nfs/dbraw/zinc/48/34/18/746483418.db2.gz KXOGAIIRQCSSDS-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059381989 746504963 /nfs/dbraw/zinc/50/49/63/746504963.db2.gz FFQVYMQERFCCGX-KKUMJFAQSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059381989 746504968 /nfs/dbraw/zinc/50/49/68/746504968.db2.gz FFQVYMQERFCCGX-KKUMJFAQSA-N 1 1 344.419 0.517 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)CC3CC3)C2)C1=O ZINC001087853894 746506785 /nfs/dbraw/zinc/50/67/85/746506785.db2.gz LHUOEBCWHVNWJS-IAGOWNOFSA-N 1 1 349.475 0.859 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 ZINC001059382121 746510820 /nfs/dbraw/zinc/51/08/20/746510820.db2.gz KQBQQPJFDAQDPN-UMVBOHGHSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 ZINC001059382121 746510824 /nfs/dbraw/zinc/51/08/24/746510824.db2.gz KQBQQPJFDAQDPN-UMVBOHGHSA-N 1 1 344.419 0.517 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccon2)C1 ZINC000978621708 746516834 /nfs/dbraw/zinc/51/68/34/746516834.db2.gz YAHGFEODOQTEIM-GUTXKFCHSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccon2)C1 ZINC000978621708 746516836 /nfs/dbraw/zinc/51/68/36/746516836.db2.gz YAHGFEODOQTEIM-GUTXKFCHSA-N 1 1 330.388 0.397 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4n[nH]cc4F)[C@@H]3C2)C1=O ZINC000978671177 746565713 /nfs/dbraw/zinc/56/57/13/746565713.db2.gz AKUUFXLDMMKAQI-NRWUCQMLSA-N 1 1 347.394 0.243 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)c1 ZINC000978694791 746590299 /nfs/dbraw/zinc/59/02/99/746590299.db2.gz AUDWJQPIVOQBNE-LVQVYYBASA-N 1 1 326.400 0.234 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccon4)C[C@@H]3C2)C1=O ZINC001087896821 746596534 /nfs/dbraw/zinc/59/65/34/746596534.db2.gz YHSYCHAFZOVCRL-YCPHGPKFSA-N 1 1 344.415 0.855 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC000978705587 746606102 /nfs/dbraw/zinc/60/61/02/746606102.db2.gz XQSARWPUHPYBEX-LVQVYYBASA-N 1 1 345.443 0.832 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]21 ZINC000978718170 746618384 /nfs/dbraw/zinc/61/83/84/746618384.db2.gz NPDCEYUXHKJHOG-MTSZKFMLSA-N 1 1 330.432 0.805 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]21 ZINC000978718170 746618391 /nfs/dbraw/zinc/61/83/91/746618391.db2.gz NPDCEYUXHKJHOG-MTSZKFMLSA-N 1 1 330.432 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CC(OCC)C2)C1 ZINC001001712379 746627662 /nfs/dbraw/zinc/62/76/62/746627662.db2.gz RBTSTLACQGTURQ-JCYILVPMSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CC(OCC)C2)C1 ZINC001001712379 746627663 /nfs/dbraw/zinc/62/76/63/746627663.db2.gz RBTSTLACQGTURQ-JCYILVPMSA-N 1 1 347.459 0.474 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H]2C1 ZINC000978716133 746629618 /nfs/dbraw/zinc/62/96/18/746629618.db2.gz HEHTVPKGKWJANM-ZUWCUPBKSA-N 1 1 325.840 0.757 20 30 ECEDMO COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 ZINC001087909464 746640147 /nfs/dbraw/zinc/64/01/47/746640147.db2.gz MJCGORFCGGSKMA-MCIONIFRSA-N 1 1 329.404 0.925 20 30 ECEDMO COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 ZINC001087909464 746640151 /nfs/dbraw/zinc/64/01/51/746640151.db2.gz MJCGORFCGGSKMA-MCIONIFRSA-N 1 1 329.404 0.925 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC000978729654 746641765 /nfs/dbraw/zinc/64/17/65/746641765.db2.gz KCUNBUIUYKMSJW-ZSAUSMIDSA-N 1 1 334.445 0.923 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC000978729654 746641768 /nfs/dbraw/zinc/64/17/68/746641768.db2.gz KCUNBUIUYKMSJW-ZSAUSMIDSA-N 1 1 334.445 0.923 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978740522 746666700 /nfs/dbraw/zinc/66/67/00/746666700.db2.gz VWEKDVDOWIEVJL-IVMMDQJWSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000984596264 746706149 /nfs/dbraw/zinc/70/61/49/746706149.db2.gz XPSFRCPRLBDHHA-QWHCGFSZSA-N 1 1 347.419 0.959 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)o3)[C@@H]2C1 ZINC000978791480 746716297 /nfs/dbraw/zinc/71/62/97/746716297.db2.gz LFRXEKIAWTWNMR-XYYAHUGASA-N 1 1 336.413 0.614 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001087959263 746741219 /nfs/dbraw/zinc/74/12/19/746741219.db2.gz SQIRHRGMEVDLRK-SQNIBIBYSA-N 1 1 342.443 0.438 20 30 ECEDMO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C3)C1 ZINC001001817866 746743390 /nfs/dbraw/zinc/74/33/90/746743390.db2.gz HIKWKEVHFAHPIH-LVQVYYBASA-N 1 1 347.459 0.921 20 30 ECEDMO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C3)C1 ZINC001001817866 746743396 /nfs/dbraw/zinc/74/33/96/746743396.db2.gz HIKWKEVHFAHPIH-LVQVYYBASA-N 1 1 347.459 0.921 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnc(C)o4)C[C@H]32)nn1 ZINC000978819077 746746577 /nfs/dbraw/zinc/74/65/77/746746577.db2.gz QWGMFINTBXFWMR-QKDCVEJESA-N 1 1 342.403 0.868 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nnc[nH]4)[C@@H]3C2)c(F)c1 ZINC000978881198 746823739 /nfs/dbraw/zinc/82/37/39/746823739.db2.gz VSQPIWBISHWZDS-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)C#CC1CC1 ZINC000984733727 746890124 /nfs/dbraw/zinc/89/01/24/746890124.db2.gz QKAMIHGQILLOEB-ARFHVFGLSA-N 1 1 333.432 0.226 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C#CC1CC1 ZINC000984733727 746890135 /nfs/dbraw/zinc/89/01/35/746890135.db2.gz QKAMIHGQILLOEB-ARFHVFGLSA-N 1 1 333.432 0.226 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1c[nH]cn1 ZINC000984751088 746902859 /nfs/dbraw/zinc/90/28/59/746902859.db2.gz KUTQDTQFGKMXAW-DZGCQCFKSA-N 1 1 340.387 0.961 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)N(C)C ZINC001029482208 746903513 /nfs/dbraw/zinc/90/35/13/746903513.db2.gz ZSTSBYHRUTYKEF-RBZJEDDUSA-N 1 1 335.448 0.729 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(C)C ZINC001029482208 746903517 /nfs/dbraw/zinc/90/35/17/746903517.db2.gz ZSTSBYHRUTYKEF-RBZJEDDUSA-N 1 1 335.448 0.729 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC000978943878 746926457 /nfs/dbraw/zinc/92/64/57/746926457.db2.gz JKMBAYWHCHBZOP-ZQDZILKHSA-N 1 1 331.416 0.935 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC000978953323 746947149 /nfs/dbraw/zinc/94/71/49/746947149.db2.gz NACQQDFRZILUPM-NAHJCDBISA-N 1 1 345.443 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC000978953323 746947154 /nfs/dbraw/zinc/94/71/54/746947154.db2.gz NACQQDFRZILUPM-NAHJCDBISA-N 1 1 345.443 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnsn2)C1 ZINC000978953346 746947258 /nfs/dbraw/zinc/94/72/58/746947258.db2.gz NOKLDFPZRRSEKA-SCRDCRAPSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnsn2)C1 ZINC000978953346 746947262 /nfs/dbraw/zinc/94/72/62/746947262.db2.gz NOKLDFPZRRSEKA-SCRDCRAPSA-N 1 1 347.444 0.260 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CN3CN=NC3=O)C2)s1 ZINC001007159288 752140377 /nfs/dbraw/zinc/14/03/77/752140377.db2.gz BQVWUXQRJQGTCV-LLVKDONJSA-N 1 1 346.416 0.698 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CN=NC3=O)C2)s1 ZINC001007159288 752140383 /nfs/dbraw/zinc/14/03/83/752140383.db2.gz BQVWUXQRJQGTCV-LLVKDONJSA-N 1 1 346.416 0.698 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nccn4C)C[C@H]32)nc1 ZINC000978997170 747013166 /nfs/dbraw/zinc/01/31/66/747013166.db2.gz XAZMPNSMNKIJMD-PHZGNYQRSA-N 1 1 335.411 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nccn4C)C[C@H]32)nc1 ZINC000978997170 747013173 /nfs/dbraw/zinc/01/31/73/747013173.db2.gz XAZMPNSMNKIJMD-PHZGNYQRSA-N 1 1 335.411 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]32)cn1 ZINC000979020429 747049434 /nfs/dbraw/zinc/04/94/34/747049434.db2.gz RNFBTQCHQRLEBV-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)C2CCOCC2)C1=O ZINC001027719802 747068857 /nfs/dbraw/zinc/06/88/57/747068857.db2.gz LLGWXIJVWCNZFP-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001007164718 752147361 /nfs/dbraw/zinc/14/73/61/752147361.db2.gz OMXDKQUSNIDHCX-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001007164718 752147364 /nfs/dbraw/zinc/14/73/64/752147364.db2.gz OMXDKQUSNIDHCX-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC001002202588 747079259 /nfs/dbraw/zinc/07/92/59/747079259.db2.gz ILDVDDPDVNMVMI-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC001002202588 747079262 /nfs/dbraw/zinc/07/92/62/747079262.db2.gz ILDVDDPDVNMVMI-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC001002202588 747079263 /nfs/dbraw/zinc/07/92/63/747079263.db2.gz ILDVDDPDVNMVMI-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC001002202588 747079270 /nfs/dbraw/zinc/07/92/70/747079270.db2.gz ILDVDDPDVNMVMI-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@@H]2C1 ZINC001088022709 747087786 /nfs/dbraw/zinc/08/77/86/747087786.db2.gz WDRMHMMRDYUSFZ-KGLIPLIRSA-N 1 1 342.403 0.899 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)O1 ZINC001059461754 747129395 /nfs/dbraw/zinc/12/93/95/747129395.db2.gz YSPSQTDCJBHHBH-BPGGGUHBSA-N 1 1 347.394 0.871 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)O1 ZINC001059461754 747129399 /nfs/dbraw/zinc/12/93/99/747129399.db2.gz YSPSQTDCJBHHBH-BPGGGUHBSA-N 1 1 347.394 0.871 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088044985 747135010 /nfs/dbraw/zinc/13/50/10/747135010.db2.gz UGESYIUMQDBTCE-QXSJWSMHSA-N 1 1 333.432 0.213 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001002262070 747137139 /nfs/dbraw/zinc/13/71/39/747137139.db2.gz BYDNMESTGGBBIV-HZMVEIRTSA-N 1 1 349.475 0.882 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]3)C2)nn1 ZINC001098715604 747143660 /nfs/dbraw/zinc/14/36/60/747143660.db2.gz IEPOIXKHGRNWCM-GFCCVEGCSA-N 1 1 331.380 0.080 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4[nH]cnc4C)[C@@H]3C2)C1=O ZINC000979127050 747225869 /nfs/dbraw/zinc/22/58/69/747225869.db2.gz OKAJMGAMDNUETO-APIJFGDWSA-N 1 1 343.431 0.413 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)C)CCO3)C[C@@H]2C1 ZINC001088080883 747271240 /nfs/dbraw/zinc/27/12/40/747271240.db2.gz RDXMUQWARFCSCP-FGTMMUONSA-N 1 1 333.476 0.899 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CSCC#N ZINC001211891300 747348734 /nfs/dbraw/zinc/34/87/34/747348734.db2.gz IHRLWKIDYAOLKP-MGPQQGTHSA-N 1 1 327.450 0.485 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001002473359 747402362 /nfs/dbraw/zinc/40/23/62/747402362.db2.gz DZAFRJCQOAUAOM-HZPDHXFCSA-N 1 1 334.464 0.448 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001002473359 747402368 /nfs/dbraw/zinc/40/23/68/747402368.db2.gz DZAFRJCQOAUAOM-HZPDHXFCSA-N 1 1 334.464 0.448 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001002495677 747433554 /nfs/dbraw/zinc/43/35/54/747433554.db2.gz HCJGBIQVMIMTTG-BBRMVZONSA-N 1 1 348.447 0.364 20 30 ECEDMO Cc1nnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)[nH]1 ZINC000979269644 747474564 /nfs/dbraw/zinc/47/45/64/747474564.db2.gz MHJNMICWVCRQFF-IINYFYTJSA-N 1 1 343.391 0.332 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@@]2(C)C1 ZINC000982429918 752184399 /nfs/dbraw/zinc/18/43/99/752184399.db2.gz UUGVKQFAXHLTHM-VBNZEHGJSA-N 1 1 340.855 0.933 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@@]2(C)C1 ZINC000982429918 752184405 /nfs/dbraw/zinc/18/44/05/752184405.db2.gz UUGVKQFAXHLTHM-VBNZEHGJSA-N 1 1 340.855 0.933 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001088149619 747525682 /nfs/dbraw/zinc/52/56/82/747525682.db2.gz MMYCKBUJKUATBA-OLZOCXBDSA-N 1 1 330.388 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CC(OC)C2)C1 ZINC001002575605 747527035 /nfs/dbraw/zinc/52/70/35/747527035.db2.gz LYDROINBNJBRRO-GPANFISMSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CC(OC)C2)C1 ZINC001002575605 747527040 /nfs/dbraw/zinc/52/70/40/747527040.db2.gz LYDROINBNJBRRO-GPANFISMSA-N 1 1 333.432 0.084 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]2C1 ZINC001088160422 747559666 /nfs/dbraw/zinc/55/96/66/747559666.db2.gz SCQAEHFYYQVTIU-KGLIPLIRSA-N 1 1 348.447 0.673 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985254931 747601151 /nfs/dbraw/zinc/60/11/51/747601151.db2.gz VTOTVUZKOJZGTL-UHFFFAOYSA-N 1 1 339.403 0.668 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979315585 747625916 /nfs/dbraw/zinc/62/59/16/747625916.db2.gz SARUGZZXOJSTRG-UXOAXIEHSA-N 1 1 343.431 0.709 20 30 ECEDMO CCc1nnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1C ZINC000979339829 747641290 /nfs/dbraw/zinc/64/12/90/747641290.db2.gz WEVKVIRASPTJKE-UKRRQHHQSA-N 1 1 345.447 0.496 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CCN(C(N)=O)CC3)C[C@@H]2C1 ZINC001088194894 747708715 /nfs/dbraw/zinc/70/87/15/747708715.db2.gz CKZOZWFAZHZTDR-CVEARBPZSA-N 1 1 332.448 0.581 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001088198778 747724570 /nfs/dbraw/zinc/72/45/70/747724570.db2.gz IASNHYGVWGMMDT-OLZOCXBDSA-N 1 1 332.404 0.456 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000985333165 747736825 /nfs/dbraw/zinc/73/68/25/747736825.db2.gz ZFFUMLGAQNJYNN-KGLIPLIRSA-N 1 1 336.436 0.316 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nncn4C3)C[C@@H]2C1 ZINC001088210102 747743551 /nfs/dbraw/zinc/74/35/51/747743551.db2.gz WZSOBTVTPXPPLZ-OAGGEKHMSA-N 1 1 327.432 0.644 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088207721 747748492 /nfs/dbraw/zinc/74/84/92/747748492.db2.gz WGCMNXCQXDGUQV-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]2C1 ZINC001088218833 747760036 /nfs/dbraw/zinc/76/00/36/747760036.db2.gz PVGSQHMVMXKLAF-CABCVRRESA-N 1 1 326.400 0.598 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](OCC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001088226462 747773922 /nfs/dbraw/zinc/77/39/22/747773922.db2.gz PNFRKWMYAMLXKH-INIZCTEOSA-N 1 1 348.451 0.579 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)c1cncc(C#N)n1 ZINC001112181545 747789130 /nfs/dbraw/zinc/78/91/30/747789130.db2.gz RCGALEZYPMIADM-UKRRQHHQSA-N 1 1 330.436 0.831 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001088237038 747833782 /nfs/dbraw/zinc/83/37/82/747833782.db2.gz KDLSWSUHNXPNOR-MRXNPFEDSA-N 1 1 347.459 0.605 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC001088237460 747838253 /nfs/dbraw/zinc/83/82/53/747838253.db2.gz UUKBLULDMOYMOE-OAHLLOKOSA-N 1 1 346.431 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccnc(F)c2)C1 ZINC001002830830 747849128 /nfs/dbraw/zinc/84/91/28/747849128.db2.gz WJQGKBZXYDLSLR-HNNXBMFYSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccnc(F)c2)C1 ZINC001002830830 747849136 /nfs/dbraw/zinc/84/91/36/747849136.db2.gz WJQGKBZXYDLSLR-HNNXBMFYSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccns2)C1 ZINC001002835850 747857372 /nfs/dbraw/zinc/85/73/72/747857372.db2.gz QJTMFXJZHVUZRY-ZDUSSCGKSA-N 1 1 332.429 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccns2)C1 ZINC001002835850 747857384 /nfs/dbraw/zinc/85/73/84/747857384.db2.gz QJTMFXJZHVUZRY-ZDUSSCGKSA-N 1 1 332.429 0.429 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001088238313 747862875 /nfs/dbraw/zinc/86/28/75/747862875.db2.gz QVWZREUNDIDYND-OAGGEKHMSA-N 1 1 335.448 0.623 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001088239503 747878484 /nfs/dbraw/zinc/87/84/84/747878484.db2.gz XTIRTWXFPXHSLJ-INIZCTEOSA-N 1 1 345.447 0.782 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000988503921 752221039 /nfs/dbraw/zinc/22/10/39/752221039.db2.gz VQYDZURZSUQBFG-WCQYABFASA-N 1 1 327.392 0.891 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001029641754 747960647 /nfs/dbraw/zinc/96/06/47/747960647.db2.gz PBUPUWJXTOHQAB-MRXNPFEDSA-N 1 1 339.403 0.525 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)s1 ZINC001007257587 752229169 /nfs/dbraw/zinc/22/91/69/752229169.db2.gz HBCMCVZSQVAELN-ZWNOBZJWSA-N 1 1 334.401 0.809 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)s1 ZINC001007257587 752229170 /nfs/dbraw/zinc/22/91/70/752229170.db2.gz HBCMCVZSQVAELN-ZWNOBZJWSA-N 1 1 334.401 0.809 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccon3)C2)C1=O ZINC001029663833 747997388 /nfs/dbraw/zinc/99/73/88/747997388.db2.gz JWVCUWMMIVUGCK-UKRRQHHQSA-N 1 1 332.404 0.855 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813785 748011427 /nfs/dbraw/zinc/01/14/27/748011427.db2.gz BGGKAPWVVHBOIZ-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813785 748011432 /nfs/dbraw/zinc/01/14/32/748011432.db2.gz BGGKAPWVVHBOIZ-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001029669185 748019568 /nfs/dbraw/zinc/01/95/68/748019568.db2.gz ZKWFYORCVIWPNT-MRXNPFEDSA-N 1 1 349.456 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000979555944 748023740 /nfs/dbraw/zinc/02/37/40/748023740.db2.gz SIFHWPMDKHWZPC-VGWMRTNUSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000979555944 748023745 /nfs/dbraw/zinc/02/37/45/748023745.db2.gz SIFHWPMDKHWZPC-VGWMRTNUSA-N 1 1 333.432 0.132 20 30 ECEDMO N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2cnc[nH]2)nn1 ZINC001058811433 748024058 /nfs/dbraw/zinc/02/40/58/748024058.db2.gz QVLXJTZDYDKGEV-GASCZTMLSA-N 1 1 337.387 0.884 20 30 ECEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029683719 748048671 /nfs/dbraw/zinc/04/86/71/748048671.db2.gz DIORPMPPDBSSHK-CYBMUJFWSA-N 1 1 332.379 0.853 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000979578029 748070633 /nfs/dbraw/zinc/07/06/33/748070633.db2.gz LHMOKTYPPJJKPG-JQFCIGGWSA-N 1 1 340.427 0.782 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000979578149 748071870 /nfs/dbraw/zinc/07/18/70/748071870.db2.gz FREIVHXVQAXHQX-QCODTGAPSA-N 1 1 335.448 0.683 20 30 ECEDMO Cn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001029691704 748080535 /nfs/dbraw/zinc/08/05/35/748080535.db2.gz SJJYGSGSTVUDLD-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001029691704 748080541 /nfs/dbraw/zinc/08/05/41/748080541.db2.gz SJJYGSGSTVUDLD-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979613540 748121913 /nfs/dbraw/zinc/12/19/13/748121913.db2.gz PPBJOFPUXJRAKO-UMVBOHGHSA-N 1 1 343.431 0.995 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC000979614156 748122910 /nfs/dbraw/zinc/12/29/10/748122910.db2.gz IMZQROMMXQFZIK-ZNMIVQPWSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2ncnn2CC)CC1 ZINC001003056308 748125522 /nfs/dbraw/zinc/12/55/22/748125522.db2.gz PEBJTPPJMUBKHQ-INIZCTEOSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2ncnn2CC)CC1 ZINC001003056308 748125526 /nfs/dbraw/zinc/12/55/26/748125526.db2.gz PEBJTPPJMUBKHQ-INIZCTEOSA-N 1 1 344.463 0.476 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979654686 748164500 /nfs/dbraw/zinc/16/45/00/748164500.db2.gz DTGSXQYKJJLILH-UMVBOHGHSA-N 1 1 343.431 0.995 20 30 ECEDMO C[N@@H+](C[C@H]1CCN(C(=O)C#CC2CC2)C1)C[C@@H]1CCc2ncnn21 ZINC001029733764 748176380 /nfs/dbraw/zinc/17/63/80/748176380.db2.gz OCPFUUYSJAEFPE-CVEARBPZSA-N 1 1 327.432 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cncnc2)C1 ZINC000979690692 748218087 /nfs/dbraw/zinc/21/80/87/748218087.db2.gz WUIIWIZWPHYXGF-BPUTZDHNSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cncnc2)C1 ZINC000979690692 748218093 /nfs/dbraw/zinc/21/80/93/748218093.db2.gz WUIIWIZWPHYXGF-BPUTZDHNSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cnon2)C1 ZINC001029758224 748271185 /nfs/dbraw/zinc/27/11/85/748271185.db2.gz VRLIJODBKDXOCF-HOCLYGCPSA-N 1 1 331.420 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cnon2)C1 ZINC001029758224 748271190 /nfs/dbraw/zinc/27/11/90/748271190.db2.gz VRLIJODBKDXOCF-HOCLYGCPSA-N 1 1 331.420 0.448 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)c[nH]1 ZINC001027833209 748319244 /nfs/dbraw/zinc/31/92/44/748319244.db2.gz OAJLIIJDJXTJAJ-HNNXBMFYSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)c[nH]1 ZINC001027833209 748319251 /nfs/dbraw/zinc/31/92/51/748319251.db2.gz OAJLIIJDJXTJAJ-HNNXBMFYSA-N 1 1 329.404 0.703 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccn4nnnc34)C[C@@H]2C1 ZINC000979756322 748370672 /nfs/dbraw/zinc/37/06/72/748370672.db2.gz ZYECTUNXQDGYGE-ZNMIVQPWSA-N 1 1 338.415 0.978 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cnc4n3CCOC4)C[C@@H]2C1 ZINC000979799141 748415810 /nfs/dbraw/zinc/41/58/10/748415810.db2.gz YJSHWNFOIJDQJT-RRFJBIMHSA-N 1 1 328.416 0.877 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cc(C)cn3)C2)nn1 ZINC001098630404 748426093 /nfs/dbraw/zinc/42/60/93/748426093.db2.gz QPPDQDHYMHXDHE-MRXNPFEDSA-N 1 1 343.435 0.922 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 ZINC000979830667 748486700 /nfs/dbraw/zinc/48/67/00/748486700.db2.gz SYUSBZJMIPBJCX-IXDOHACOSA-N 1 1 340.427 0.958 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2coc(C)n2)C1=O ZINC001027843266 748514504 /nfs/dbraw/zinc/51/45/04/748514504.db2.gz UAJBEMBWFLAKKX-ZFWWWQNUSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2coc(C)n2)C1=O ZINC001027843266 748514510 /nfs/dbraw/zinc/51/45/10/748514510.db2.gz UAJBEMBWFLAKKX-ZFWWWQNUSA-N 1 1 332.404 0.964 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCNC2=O)CC1 ZINC001003430970 748549225 /nfs/dbraw/zinc/54/92/25/748549225.db2.gz FVPRWOPLOQCNQP-MRXNPFEDSA-N 1 1 326.400 0.775 20 30 ECEDMO CN1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)NC1=O ZINC001003437307 748556607 /nfs/dbraw/zinc/55/66/07/748556607.db2.gz QKFBRQXQFFTAOY-INIZCTEOSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)OC)C2)nn1 ZINC001098630640 748586065 /nfs/dbraw/zinc/58/60/65/748586065.db2.gz VBYSLQUMSDZMGV-UKRRQHHQSA-N 1 1 337.424 0.379 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)OC)C2)nn1 ZINC001098630641 748587148 /nfs/dbraw/zinc/58/71/48/748587148.db2.gz VBYSLQUMSDZMGV-ZFWWWQNUSA-N 1 1 337.424 0.379 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)CCc3cnc[nH]3)C2)cn1 ZINC001003471514 748588960 /nfs/dbraw/zinc/58/89/60/748588960.db2.gz KMPMYSBVQHPELT-UHFFFAOYSA-N 1 1 337.383 0.607 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001003472104 748589952 /nfs/dbraw/zinc/58/99/52/748589952.db2.gz VJWPMYLCPMUPOJ-HNNXBMFYSA-N 1 1 326.400 0.203 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)cc1F ZINC001003533113 748652176 /nfs/dbraw/zinc/65/21/76/748652176.db2.gz LOMFQUQRWLPPTQ-OAHLLOKOSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)s1 ZINC001003533394 748652779 /nfs/dbraw/zinc/65/27/79/748652779.db2.gz VUSVNUKBSOTBTQ-ZDUSSCGKSA-N 1 1 333.417 0.382 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCN(C)C3=O)C2)c1 ZINC001029835556 748669371 /nfs/dbraw/zinc/66/93/71/748669371.db2.gz SXNYVFCXKOXIGG-RDJZCZTQSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000979967414 748759955 /nfs/dbraw/zinc/75/99/55/748759955.db2.gz KSCDIIJWSCASCB-VQHPVUNQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000979967414 748759957 /nfs/dbraw/zinc/75/99/57/748759957.db2.gz KSCDIIJWSCASCB-VQHPVUNQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1C ZINC001003677699 748786804 /nfs/dbraw/zinc/78/68/04/748786804.db2.gz ZCORDAVOIFBHPR-KPLDXPABSA-N 1 1 329.444 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1C ZINC001003677699 748786807 /nfs/dbraw/zinc/78/68/07/748786807.db2.gz ZCORDAVOIFBHPR-KPLDXPABSA-N 1 1 329.444 0.988 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2nncn2C)CC1 ZINC000985657862 748825566 /nfs/dbraw/zinc/82/55/66/748825566.db2.gz ODSNZKTYTGESBL-CABCVRRESA-N 1 1 333.436 0.829 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2nncn2C)CC1 ZINC000985657862 748825572 /nfs/dbraw/zinc/82/55/72/748825572.db2.gz ODSNZKTYTGESBL-CABCVRRESA-N 1 1 333.436 0.829 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000985662036 748832986 /nfs/dbraw/zinc/83/29/86/748832986.db2.gz RQSKVBFEGGGRDL-OAGGEKHMSA-N 1 1 335.448 0.731 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000980085770 748944122 /nfs/dbraw/zinc/94/41/22/748944122.db2.gz OJBQSUQTBGCIGZ-ZOBUZTSGSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccn(C)n3)C2)nn1 ZINC001029860376 748965689 /nfs/dbraw/zinc/96/56/89/748965689.db2.gz QYHOYZXRNSINCU-AWEZNQCLSA-N 1 1 343.435 0.792 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000980127602 749024159 /nfs/dbraw/zinc/02/41/59/749024159.db2.gz LDVOUFLRSJISIV-HSBZDZAISA-N 1 1 343.431 0.995 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]2C1 ZINC000980142144 749054879 /nfs/dbraw/zinc/05/48/79/749054879.db2.gz CKNNQNGVSCDGLB-MJBXVCDLSA-N 1 1 328.416 0.967 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(N)=O)cn3C)C[C@H]2C1 ZINC000980143972 749060358 /nfs/dbraw/zinc/06/03/58/749060358.db2.gz QVPWAIKABMRVLI-YDHLFZDLSA-N 1 1 328.416 0.588 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@H]3C2)c(F)c1 ZINC000980160256 749090342 /nfs/dbraw/zinc/09/03/42/749090342.db2.gz GSQVPCKCSYKVQX-QEJZJMRPSA-N 1 1 344.390 0.899 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001059646056 749093142 /nfs/dbraw/zinc/09/31/42/749093142.db2.gz LXBUDNCCCGSRNA-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4nnnc4c3)C[C@@H]2C1 ZINC000980168879 749104659 /nfs/dbraw/zinc/10/46/59/749104659.db2.gz HACZEEGVWIQOMO-XHSDSOJGSA-N 1 1 338.415 0.978 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001059648737 749111666 /nfs/dbraw/zinc/11/16/66/749111666.db2.gz YNIABKKLCDGNNN-JKSUJKDBSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(=O)NC)C[C@H]3C2)nn1 ZINC000980183025 749129882 /nfs/dbraw/zinc/12/98/82/749129882.db2.gz DXDWRAVXRUKHOJ-BFHYXJOUSA-N 1 1 346.435 0.040 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000985801518 749131701 /nfs/dbraw/zinc/13/17/01/749131701.db2.gz GCJLEBNDZICUEP-UHFFFAOYSA-N 1 1 340.815 0.052 20 30 ECEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@H]3C2)ccc1F ZINC000980187910 749141427 /nfs/dbraw/zinc/14/14/27/749141427.db2.gz UTUZGKRYPJWVLI-AEGPPILISA-N 1 1 344.390 0.899 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)CC1 ZINC000985827000 749184685 /nfs/dbraw/zinc/18/46/85/749184685.db2.gz VOAKWLMGQMQHGO-HOTGVXAUSA-N 1 1 332.448 0.548 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980203070 749195793 /nfs/dbraw/zinc/19/57/93/749195793.db2.gz DWQRPAFOQFRQCK-MJBXVCDLSA-N 1 1 344.415 0.589 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001004134021 749242087 /nfs/dbraw/zinc/24/20/87/749242087.db2.gz MRFTXFFBFKRALN-UHFFFAOYSA-N 1 1 326.784 0.433 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc4ncccn4n3)C[C@H]2C1 ZINC000980242963 749248104 /nfs/dbraw/zinc/24/81/04/749248104.db2.gz VCRJUZWSZVBPMW-SOUVJXGZSA-N 1 1 338.415 0.517 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2cnco2)CC1 ZINC000980313623 749354196 /nfs/dbraw/zinc/35/41/96/749354196.db2.gz QACJZHVRZWKDFS-NRXISQOPSA-N 1 1 344.415 0.929 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2cnco2)CC1 ZINC000980313623 749354205 /nfs/dbraw/zinc/35/42/05/749354205.db2.gz QACJZHVRZWKDFS-NRXISQOPSA-N 1 1 344.415 0.929 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCCNc2nccnc2C#N)C1 ZINC001114946396 749389501 /nfs/dbraw/zinc/38/95/01/749389501.db2.gz KTUKCRKLQFYCDA-HIFRSBDPSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCCNc2nccnc2C#N)C1 ZINC001114946396 749389509 /nfs/dbraw/zinc/38/95/09/749389509.db2.gz KTUKCRKLQFYCDA-HIFRSBDPSA-N 1 1 346.435 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC000980386671 749485166 /nfs/dbraw/zinc/48/51/66/749485166.db2.gz MFTDWZJWTCQWTB-UKRRQHHQSA-N 1 1 331.420 0.353 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1)C2 ZINC001004440423 749499328 /nfs/dbraw/zinc/49/93/28/749499328.db2.gz DQCUDGALOJSSAK-BXUZGUMPSA-N 1 1 329.404 0.488 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001029896575 749500345 /nfs/dbraw/zinc/50/03/45/749500345.db2.gz GPIGGEPOVNUCDL-QAPCUYQASA-N 1 1 339.439 0.879 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001004497702 749569982 /nfs/dbraw/zinc/56/99/82/749569982.db2.gz CUPMPCLTSPSCEL-KRWDZBQOSA-N 1 1 348.491 0.697 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C)nn1 ZINC000986171499 749628708 /nfs/dbraw/zinc/62/87/08/749628708.db2.gz ZPMAKNYNHMPSTH-FZMZJTMJSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCc1cnn(C)c1 ZINC001027940911 749650997 /nfs/dbraw/zinc/65/09/97/749650997.db2.gz YHMDLPJWBXZRCO-ROUUACIJSA-N 1 1 343.475 0.641 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCc1cnn(C)c1 ZINC001027940910 749651052 /nfs/dbraw/zinc/65/10/52/749651052.db2.gz YHMDLPJWBXZRCO-MSOLQXFVSA-N 1 1 343.475 0.641 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001004609411 749681638 /nfs/dbraw/zinc/68/16/38/749681638.db2.gz HQHXEBKJKLWNMQ-LSDHHAIUSA-N 1 1 346.431 0.311 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001004619449 749696916 /nfs/dbraw/zinc/69/69/16/749696916.db2.gz CJMMFPZZFOVYHJ-HNNXBMFYSA-N 1 1 346.431 0.217 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001004625543 749703271 /nfs/dbraw/zinc/70/32/71/749703271.db2.gz VRPTUKBJWFXWJW-HNNXBMFYSA-N 1 1 346.431 0.265 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3nonc3C)C2)C1=O ZINC000980543654 749750489 /nfs/dbraw/zinc/75/04/89/749750489.db2.gz LUDFLFMGMBATMO-QWHCGFSZSA-N 1 1 333.392 0.311 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)OC)CC[C@@H]2C1 ZINC000986308063 749777344 /nfs/dbraw/zinc/77/73/44/749777344.db2.gz FKINWUATSUPNHS-YVSFHVDLSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)OC)CC[C@@H]2C1 ZINC000986308063 749777353 /nfs/dbraw/zinc/77/73/53/749777353.db2.gz FKINWUATSUPNHS-YVSFHVDLSA-N 1 1 347.459 0.426 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001027953342 749832369 /nfs/dbraw/zinc/83/23/69/749832369.db2.gz LUNQMBMWJVXYPN-OLZOCXBDSA-N 1 1 347.419 0.405 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)C[C@@H]2C)cc1 ZINC000980669330 749937285 /nfs/dbraw/zinc/93/72/85/749937285.db2.gz VJLHIQJCYTUIOQ-DZGCQCFKSA-N 1 1 338.415 0.832 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccon3)[C@H]2C)C1=O ZINC001088499489 750004896 /nfs/dbraw/zinc/00/48/96/750004896.db2.gz DSOIQLHHZKUJSQ-VHDGCEQUSA-N 1 1 332.404 0.583 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccon3)[C@H]2C)C1=O ZINC001088499489 750004902 /nfs/dbraw/zinc/00/49/02/750004902.db2.gz DSOIQLHHZKUJSQ-VHDGCEQUSA-N 1 1 332.404 0.583 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058844240 750071630 /nfs/dbraw/zinc/07/16/30/750071630.db2.gz XUCULPWEVCZTOG-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO Cn1ncnc1C[N@H+](C)CC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001029958362 750083205 /nfs/dbraw/zinc/08/32/05/750083205.db2.gz ZHBZVKBAQQZWBF-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1ncnc1C[N@@H+](C)CC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001029958362 750083210 /nfs/dbraw/zinc/08/32/10/750083210.db2.gz ZHBZVKBAQQZWBF-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)C[N@H+]1CCC[C@H]1C ZINC001058845189 750084093 /nfs/dbraw/zinc/08/40/93/750084093.db2.gz HOPFLIHLMDWADH-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058845470 750088143 /nfs/dbraw/zinc/08/81/43/750088143.db2.gz OHDIWSZBCCTDRA-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[C@H]3CCCO3)CC2)C1=O ZINC000980757617 750096125 /nfs/dbraw/zinc/09/61/25/750096125.db2.gz YAEAOVOKEFFDOV-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[C@H]3CCCO3)CC2)C1=O ZINC000980757617 750096129 /nfs/dbraw/zinc/09/61/29/750096129.db2.gz YAEAOVOKEFFDOV-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058846773 750118364 /nfs/dbraw/zinc/11/83/64/750118364.db2.gz FOWSRNURSCYDST-HZPDHXFCSA-N 1 1 337.464 0.315 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 ZINC000986602240 750178644 /nfs/dbraw/zinc/17/86/44/750178644.db2.gz YFVRWQRZJNBJAA-CFVMTHIKSA-N 1 1 329.404 0.658 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001030181834 762016912 /nfs/dbraw/zinc/01/69/12/762016912.db2.gz HDDAAXFQDJORQU-MRXNPFEDSA-N 1 1 332.379 0.328 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001030181834 762016922 /nfs/dbraw/zinc/01/69/22/762016922.db2.gz HDDAAXFQDJORQU-MRXNPFEDSA-N 1 1 332.379 0.328 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000980840007 750246479 /nfs/dbraw/zinc/24/64/79/750246479.db2.gz PSHJPWPYOPHHGN-CYBMUJFWSA-N 1 1 349.435 0.401 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C(=O)COC)CC1 ZINC000986728242 750287456 /nfs/dbraw/zinc/28/74/56/750287456.db2.gz ICDZETXVMRLRGG-HOCLYGCPSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C(=O)COC)CC1 ZINC000986728242 750287459 /nfs/dbraw/zinc/28/74/59/750287459.db2.gz ICDZETXVMRLRGG-HOCLYGCPSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000980885383 750305827 /nfs/dbraw/zinc/30/58/27/750305827.db2.gz UGIKHLUUZLJSSD-HNNXBMFYSA-N 1 1 331.420 0.273 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3cc[nH]n3)CC2)C1=O ZINC000980885383 750305832 /nfs/dbraw/zinc/30/58/32/750305832.db2.gz UGIKHLUUZLJSSD-HNNXBMFYSA-N 1 1 331.420 0.273 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3cc[nH]n3)CC2)C1=O ZINC000980885383 750305838 /nfs/dbraw/zinc/30/58/38/750305838.db2.gz UGIKHLUUZLJSSD-HNNXBMFYSA-N 1 1 331.420 0.273 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058856830 750346027 /nfs/dbraw/zinc/34/60/27/750346027.db2.gz DAGSBQWWCHAFGD-GJZGRUSLSA-N 1 1 329.404 0.605 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058856830 750346035 /nfs/dbraw/zinc/34/60/35/750346035.db2.gz DAGSBQWWCHAFGD-GJZGRUSLSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnnc(C)c3)[C@H]2C)C1=O ZINC001088542087 750456674 /nfs/dbraw/zinc/45/66/74/750456674.db2.gz MIFVMDTWVPEEPW-VNQPRFMTSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnnc(C)c3)[C@H]2C)C1=O ZINC001088542087 750456681 /nfs/dbraw/zinc/45/66/81/750456681.db2.gz MIFVMDTWVPEEPW-VNQPRFMTSA-N 1 1 343.431 0.765 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)c(F)c1 ZINC001028073189 750489161 /nfs/dbraw/zinc/48/91/61/750489161.db2.gz RSFGBBBAIACAGD-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)c(F)c1 ZINC001028073189 750489164 /nfs/dbraw/zinc/48/91/64/750489164.db2.gz RSFGBBBAIACAGD-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nccn3CC)[C@H]2C)C1=O ZINC001088546135 750503867 /nfs/dbraw/zinc/50/38/67/750503867.db2.gz RRHCASWEASWRJU-QLFBSQMISA-N 1 1 345.447 0.883 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nccn3CC)[C@H]2C)C1=O ZINC001088546135 750503873 /nfs/dbraw/zinc/50/38/73/750503873.db2.gz RRHCASWEASWRJU-QLFBSQMISA-N 1 1 345.447 0.883 20 30 ECEDMO Cc1nc(N(C)CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001105354993 750508378 /nfs/dbraw/zinc/50/83/78/750508378.db2.gz AVJBWLJJGNMEGD-OAHLLOKOSA-N 1 1 331.420 0.487 20 30 ECEDMO Cc1nc(N(C)CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001105354993 750508380 /nfs/dbraw/zinc/50/83/80/750508380.db2.gz AVJBWLJJGNMEGD-OAHLLOKOSA-N 1 1 331.420 0.487 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccoc2)C1 ZINC001005694641 750532608 /nfs/dbraw/zinc/53/26/08/750532608.db2.gz ROZXEBJZTOBBGN-CJNGLKHVSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccoc2)C1 ZINC001005694641 750532612 /nfs/dbraw/zinc/53/26/12/750532612.db2.gz ROZXEBJZTOBBGN-CJNGLKHVSA-N 1 1 329.400 0.954 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]nc3C3CC3)C2)nn1 ZINC001105356323 750563563 /nfs/dbraw/zinc/56/35/63/750563563.db2.gz IRLVGZVCYCHRDN-UHFFFAOYSA-N 1 1 327.392 0.851 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000981361323 750624660 /nfs/dbraw/zinc/62/46/60/750624660.db2.gz FIXTVDDCSCLUGE-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000981361323 750624664 /nfs/dbraw/zinc/62/46/64/750624664.db2.gz FIXTVDDCSCLUGE-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000981361323 750624667 /nfs/dbraw/zinc/62/46/67/750624667.db2.gz FIXTVDDCSCLUGE-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000981361323 750624674 /nfs/dbraw/zinc/62/46/74/750624674.db2.gz FIXTVDDCSCLUGE-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)C2)nc1 ZINC001005831815 750701936 /nfs/dbraw/zinc/70/19/36/750701936.db2.gz ZZWXIJRABKLWLH-SUMWQHHRSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)CCC(C)C ZINC001114982373 750710624 /nfs/dbraw/zinc/71/06/24/750710624.db2.gz MVVUAZRSXQASTD-HWWDLCQESA-N 1 1 337.464 0.788 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001005867422 750746258 /nfs/dbraw/zinc/74/62/58/750746258.db2.gz RXNUURKHXSYFOQ-GFCCVEGCSA-N 1 1 340.387 0.668 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnc(C)n2C)C1=O ZINC001028098847 750773310 /nfs/dbraw/zinc/77/33/10/750773310.db2.gz WQLHUFFZXGQXRG-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnc(C)n2C)C1=O ZINC001028098847 750773314 /nfs/dbraw/zinc/77/33/14/750773314.db2.gz WQLHUFFZXGQXRG-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2cnc3sccn3c2=O)CC1 ZINC000981574962 750815113 /nfs/dbraw/zinc/81/51/13/750815113.db2.gz FFNJVYLTHALHBG-UHFFFAOYSA-N 1 1 330.413 0.927 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2cnc3sccn3c2=O)CC1 ZINC000981574962 750815118 /nfs/dbraw/zinc/81/51/18/750815118.db2.gz FFNJVYLTHALHBG-UHFFFAOYSA-N 1 1 330.413 0.927 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001005940191 750822767 /nfs/dbraw/zinc/82/27/67/750822767.db2.gz RPFZKLSMFDJPQY-LALPHHSUSA-N 1 1 343.431 0.803 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CC[NH+]([C@@H]3CCNC3=O)CC2)c1 ZINC001005968383 750865083 /nfs/dbraw/zinc/86/50/83/750865083.db2.gz NBKOJWHSLMQOBP-MRXNPFEDSA-N 1 1 326.400 0.488 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028108953 750892356 /nfs/dbraw/zinc/89/23/56/750892356.db2.gz BFHOMFZNGGRRGM-HUUCEWRRSA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028108953 750892366 /nfs/dbraw/zinc/89/23/66/750892366.db2.gz BFHOMFZNGGRRGM-HUUCEWRRSA-N 1 1 327.388 0.320 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)Cn3c[nH+]cc3C)CC2)C1=O ZINC000981625032 750898111 /nfs/dbraw/zinc/89/81/11/750898111.db2.gz PZMXDBFVOBGCQY-INIZCTEOSA-N 1 1 345.447 0.513 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CN2CCCCS2(=O)=O)CC1 ZINC000981626322 750899685 /nfs/dbraw/zinc/89/96/85/750899685.db2.gz MFHSRAZQEYNQFI-UHFFFAOYSA-N 1 1 343.493 0.913 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)c(F)c1 ZINC001028109605 750900037 /nfs/dbraw/zinc/90/00/37/750900037.db2.gz LIEXWHTYIFGMKE-UKRRQHHQSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)c(F)c1 ZINC001028109605 750900042 /nfs/dbraw/zinc/90/00/42/750900042.db2.gz LIEXWHTYIFGMKE-UKRRQHHQSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2conc2C)C1=O ZINC001028113319 750940208 /nfs/dbraw/zinc/94/02/08/750940208.db2.gz LCSYKXXUDTZSKG-UKRRQHHQSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2conc2C)C1=O ZINC001028113319 750940213 /nfs/dbraw/zinc/94/02/13/750940213.db2.gz LCSYKXXUDTZSKG-UKRRQHHQSA-N 1 1 332.404 0.964 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC000981669773 750949376 /nfs/dbraw/zinc/94/93/76/750949376.db2.gz WMFRADYRSRXDDS-UONOGXRCSA-N 1 1 328.420 0.849 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC000981669792 750949607 /nfs/dbraw/zinc/94/96/07/750949607.db2.gz WZUGUKYAEMSFPM-GJZGRUSLSA-N 1 1 331.420 0.328 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000987541200 750951725 /nfs/dbraw/zinc/95/17/25/750951725.db2.gz JKPFENVSALZKOJ-GUTXKFCHSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CCn3cncn3)[C@H]2C)CC1 ZINC000987567631 750970232 /nfs/dbraw/zinc/97/02/32/750970232.db2.gz FTORQFCKXOCGAV-WBVHZDCISA-N 1 1 344.463 0.202 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cn(C)c(=O)[nH]2)C1=O ZINC001028115322 750975441 /nfs/dbraw/zinc/97/54/41/750975441.db2.gz JGQLTKPOMVAMDR-TZMCWYRMSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CC[NH+](CC(=O)NC)CC2)nn1 ZINC001006096734 751012346 /nfs/dbraw/zinc/01/23/46/751012346.db2.gz BJGOONGDLIREST-UHFFFAOYSA-N 1 1 334.424 0.137 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000987648590 751053031 /nfs/dbraw/zinc/05/30/31/751053031.db2.gz WJVPNRVACPTPKM-JMSVASOKSA-N 1 1 329.404 0.557 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)s1 ZINC000981747009 751066448 /nfs/dbraw/zinc/06/64/48/751066448.db2.gz UYRPRVHKNHEHPT-AWEZNQCLSA-N 1 1 332.429 0.790 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)s1 ZINC000981747009 751066454 /nfs/dbraw/zinc/06/64/54/751066454.db2.gz UYRPRVHKNHEHPT-AWEZNQCLSA-N 1 1 332.429 0.790 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2nc(C)c[nH]2)C1 ZINC001006153873 751076339 /nfs/dbraw/zinc/07/63/39/751076339.db2.gz BATRAAVNCWOKHH-HIFRSBDPSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2nc(C)c[nH]2)C1 ZINC001006153873 751076348 /nfs/dbraw/zinc/07/63/48/751076348.db2.gz BATRAAVNCWOKHH-HIFRSBDPSA-N 1 1 343.431 0.392 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C2)C1 ZINC000981772150 751082974 /nfs/dbraw/zinc/08/29/74/751082974.db2.gz OJGBSGAQNROYMZ-UHFFFAOYSA-N 1 1 345.443 0.719 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001006179549 751091824 /nfs/dbraw/zinc/09/18/24/751091824.db2.gz DGZCGGKXSYXJSV-XHBSWPGZSA-N 1 1 343.431 0.803 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001006185802 751100690 /nfs/dbraw/zinc/10/06/90/751100690.db2.gz HZKYJIOPIPBHLY-HIFRSBDPSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001006185802 751100692 /nfs/dbraw/zinc/10/06/92/751100692.db2.gz HZKYJIOPIPBHLY-HIFRSBDPSA-N 1 1 337.464 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3nc4ncc(C)cn4n3)C2)C1 ZINC000981835536 751165613 /nfs/dbraw/zinc/16/56/13/751165613.db2.gz OXMCPXFBNGBNKJ-UHFFFAOYSA-N 1 1 338.415 0.994 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cnccn3)C2)nn1 ZINC001105358362 751196153 /nfs/dbraw/zinc/19/61/53/751196153.db2.gz YAPZLGNMDHUYME-UHFFFAOYSA-N 1 1 327.392 0.360 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC000981853752 751202803 /nfs/dbraw/zinc/20/28/03/751202803.db2.gz VBMVWOURDXIGCQ-UHFFFAOYSA-N 1 1 334.464 0.261 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)NC3CC3)CC2)nc1 ZINC001006303878 751222086 /nfs/dbraw/zinc/22/20/86/751222086.db2.gz SJJPYYKXJGMWCI-UHFFFAOYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3cnnn3C)CC2)cn1 ZINC001006310464 751228100 /nfs/dbraw/zinc/22/81/00/751228100.db2.gz NLZJKJCKRDFDDS-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2CCOCC2)C1 ZINC001006312409 751230034 /nfs/dbraw/zinc/23/00/34/751230034.db2.gz DOWKEOGHBBNNTO-YOEHRIQHSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2CCOCC2)C1 ZINC001006312409 751230039 /nfs/dbraw/zinc/23/00/39/751230039.db2.gz DOWKEOGHBBNNTO-YOEHRIQHSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cn(C)cn2)C1 ZINC001006312415 751230398 /nfs/dbraw/zinc/23/03/98/751230398.db2.gz DOXGQZZZJIAQEZ-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cn(C)cn2)C1 ZINC001006312415 751230401 /nfs/dbraw/zinc/23/04/01/751230401.db2.gz DOXGQZZZJIAQEZ-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccn(C)n2)C1 ZINC001006312946 751231433 /nfs/dbraw/zinc/23/14/33/751231433.db2.gz CQIJPBBAJNXEMJ-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccn(C)n2)C1 ZINC001006312946 751231436 /nfs/dbraw/zinc/23/14/36/751231436.db2.gz CQIJPBBAJNXEMJ-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2nccs2)C1 ZINC001006318329 751240162 /nfs/dbraw/zinc/24/01/62/751240162.db2.gz HTJBZDWVCGPOTQ-OCCSQVGLSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2nccs2)C1 ZINC001006318329 751240163 /nfs/dbraw/zinc/24/01/63/751240163.db2.gz HTJBZDWVCGPOTQ-OCCSQVGLSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCOC2)C1 ZINC001006322439 751245108 /nfs/dbraw/zinc/24/51/08/751245108.db2.gz UUFQLWIIQVUAAN-YCPHGPKFSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCOC2)C1 ZINC001006322439 751245111 /nfs/dbraw/zinc/24/51/11/751245111.db2.gz UUFQLWIIQVUAAN-YCPHGPKFSA-N 1 1 333.432 0.084 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CCn3ncn(C)c3=O)C2)C1 ZINC000981918121 751266566 /nfs/dbraw/zinc/26/65/66/751266566.db2.gz OLVRQXWGBJNGMY-UHFFFAOYSA-N 1 1 347.463 0.863 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C2)C1 ZINC000981918925 751267705 /nfs/dbraw/zinc/26/77/05/751267705.db2.gz LLBCBFGGNJXJGZ-JKSUJKDBSA-N 1 1 333.432 0.180 20 30 ECEDMO N#Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)c3ccn[nH]3)CCO2)c1 ZINC001051458324 762117182 /nfs/dbraw/zinc/11/71/82/762117182.db2.gz UFUAEQFHSRBHGD-HNNXBMFYSA-N 1 1 325.372 0.912 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC000981949494 751324526 /nfs/dbraw/zinc/32/45/26/751324526.db2.gz LZCOPRYMEJVQDW-SJORKVTESA-N 1 1 347.459 0.714 20 30 ECEDMO N#CCOc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3nnc[nH]3)C2)cc1 ZINC001020903852 752314403 /nfs/dbraw/zinc/31/44/03/752314403.db2.gz FLUZTJKQSLFODQ-HDJSIYSDSA-N 1 1 340.387 0.687 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ncccc1C#N ZINC001126350445 752321904 /nfs/dbraw/zinc/32/19/04/752321904.db2.gz XCSKFVPSWFZJGS-HNNXBMFYSA-N 1 1 331.420 0.474 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC001088606163 752350229 /nfs/dbraw/zinc/35/02/29/752350229.db2.gz CMDJQPYVDOTTOP-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ncc(C#N)cc1F ZINC001126355351 752383259 /nfs/dbraw/zinc/38/32/59/752383259.db2.gz LSWOGQDGYYXORM-CQSZACIVSA-N 1 1 349.410 0.613 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212033697 752422946 /nfs/dbraw/zinc/42/29/46/752422946.db2.gz NFPBQOZMYOWFLR-RRFJBIMHSA-N 1 1 341.452 0.260 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212033697 752422949 /nfs/dbraw/zinc/42/29/49/752422949.db2.gz NFPBQOZMYOWFLR-RRFJBIMHSA-N 1 1 341.452 0.260 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000988630453 752425635 /nfs/dbraw/zinc/42/56/35/752425635.db2.gz FDQQWDUIQKOXTD-FZMZJTMJSA-N 1 1 342.407 0.676 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1OC ZINC001212031979 752429125 /nfs/dbraw/zinc/42/91/25/752429125.db2.gz DMSZZVQSEWYQLR-UPJWGTAASA-N 1 1 334.363 0.429 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1OC ZINC001212031979 752429129 /nfs/dbraw/zinc/42/91/29/752429129.db2.gz DMSZZVQSEWYQLR-UPJWGTAASA-N 1 1 334.363 0.429 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1OC ZINC001212032218 752430217 /nfs/dbraw/zinc/43/02/17/752430217.db2.gz PWRHLECSNCBYSQ-RRFJBIMHSA-N 1 1 326.437 0.820 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039441 752432294 /nfs/dbraw/zinc/43/22/94/752432294.db2.gz MJNWPPZDUSVJJL-NILFDRSVSA-N 1 1 330.388 0.261 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039441 752432303 /nfs/dbraw/zinc/43/23/03/752432303.db2.gz MJNWPPZDUSVJJL-NILFDRSVSA-N 1 1 330.388 0.261 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039565 752433339 /nfs/dbraw/zinc/43/33/39/752433339.db2.gz OEBPAAUFJJOVFE-SGIREYDYSA-N 1 1 342.403 0.443 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039565 752433346 /nfs/dbraw/zinc/43/33/46/752433346.db2.gz OEBPAAUFJJOVFE-SGIREYDYSA-N 1 1 342.403 0.443 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001059911392 752457007 /nfs/dbraw/zinc/45/70/07/752457007.db2.gz KILZIIUSIZCITG-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001059911392 752457012 /nfs/dbraw/zinc/45/70/12/752457012.db2.gz KILZIIUSIZCITG-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001007503980 752459708 /nfs/dbraw/zinc/45/97/08/752459708.db2.gz UCGUILBKKDIBQG-HIFRSBDPSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001007503980 752459711 /nfs/dbraw/zinc/45/97/11/752459711.db2.gz UCGUILBKKDIBQG-HIFRSBDPSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnnn2CC)C1 ZINC001007519086 752474787 /nfs/dbraw/zinc/47/47/87/752474787.db2.gz IQJSYXOHGPQPPD-WBVHZDCISA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnnn2CC)C1 ZINC001007519086 752474789 /nfs/dbraw/zinc/47/47/89/752474789.db2.gz IQJSYXOHGPQPPD-WBVHZDCISA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cnns2)C1 ZINC000982493888 752514163 /nfs/dbraw/zinc/51/41/63/752514163.db2.gz BYBXGFWWVDDKFX-OLZOCXBDSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cnns2)C1 ZINC000982493888 752514167 /nfs/dbraw/zinc/51/41/67/752514167.db2.gz BYBXGFWWVDDKFX-OLZOCXBDSA-N 1 1 347.444 0.214 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)c[nH]1 ZINC000937853260 752573077 /nfs/dbraw/zinc/57/30/77/752573077.db2.gz LGLBOKRHWHCZDR-KSSFIOAISA-N 1 1 341.415 0.703 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cccn3C)C2)C1=O ZINC001028413343 752587034 /nfs/dbraw/zinc/58/70/34/752587034.db2.gz AZAKUSQWKJNMDO-ZBFHGGJFSA-N 1 1 330.432 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ncoc3C)C2)C1=O ZINC001028431983 752625282 /nfs/dbraw/zinc/62/52/82/752625282.db2.gz WWVYHPUUTGNSAA-UONOGXRCSA-N 1 1 332.404 0.822 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnco2)[C@@H]1C ZINC000988733453 752628168 /nfs/dbraw/zinc/62/81/68/752628168.db2.gz DJMWQDWQEPTHOY-RDBSUJKOSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnco2)[C@@H]1C ZINC000988733453 752628170 /nfs/dbraw/zinc/62/81/70/752628170.db2.gz DJMWQDWQEPTHOY-RDBSUJKOSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(C)cn2)[C@@H]1C ZINC000988737606 752639723 /nfs/dbraw/zinc/63/97/23/752639723.db2.gz CKVPDAZORRKYFP-YCPHGPKFSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(C)cn2)[C@@H]1C ZINC000988737606 752639727 /nfs/dbraw/zinc/63/97/27/752639727.db2.gz CKVPDAZORRKYFP-YCPHGPKFSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@@H]1C ZINC000988737794 752639875 /nfs/dbraw/zinc/63/98/75/752639875.db2.gz HJUIKBMPFZDULD-UGUYLWEFSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@@H]1C ZINC000988737794 752639877 /nfs/dbraw/zinc/63/98/77/752639877.db2.gz HJUIKBMPFZDULD-UGUYLWEFSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000982515268 752692903 /nfs/dbraw/zinc/69/29/03/752692903.db2.gz DQQNIHHCNBMAHN-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000982515268 752692907 /nfs/dbraw/zinc/69/29/07/752692907.db2.gz DQQNIHHCNBMAHN-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001007640718 752694012 /nfs/dbraw/zinc/69/40/12/752694012.db2.gz MGUNQNQXHBYAQN-UPJWGTAASA-N 1 1 334.338 0.937 20 30 ECEDMO CC#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001098645421 752698878 /nfs/dbraw/zinc/69/88/78/752698878.db2.gz LWSXAFQHBOXXDZ-HOTGVXAUSA-N 1 1 330.436 0.259 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001212092901 752714287 /nfs/dbraw/zinc/71/42/87/752714287.db2.gz WCDJYZIDUYYZFC-RRFJBIMHSA-N 1 1 341.452 0.261 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001212092901 752714295 /nfs/dbraw/zinc/71/42/95/752714295.db2.gz WCDJYZIDUYYZFC-RRFJBIMHSA-N 1 1 341.452 0.261 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC001007653609 752717011 /nfs/dbraw/zinc/71/70/11/752717011.db2.gz JJHWLAXEUZWZDJ-QFBILLFUSA-N 1 1 345.443 0.324 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001028464202 752750149 /nfs/dbraw/zinc/75/01/49/752750149.db2.gz MZATUFLSEZWJDM-DZGCQCFKSA-N 1 1 344.415 0.626 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)c1 ZINC001028469745 752757657 /nfs/dbraw/zinc/75/76/57/752757657.db2.gz VFOLFPBYSIVHMV-UKRRQHHQSA-N 1 1 342.403 0.196 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001028467749 752761194 /nfs/dbraw/zinc/76/11/94/752761194.db2.gz HDYZBQGCRGMKJW-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087458169 752791942 /nfs/dbraw/zinc/79/19/42/752791942.db2.gz NBMARLAXDFTTLB-WCXIOVBPSA-N 1 1 343.402 0.854 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087458169 752791948 /nfs/dbraw/zinc/79/19/48/752791948.db2.gz NBMARLAXDFTTLB-WCXIOVBPSA-N 1 1 343.402 0.854 20 30 ECEDMO CCn1cc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001028486441 752822101 /nfs/dbraw/zinc/82/21/01/752822101.db2.gz FXBXMGPANQRWAC-LBPRGKRZSA-N 1 1 327.392 0.750 20 30 ECEDMO CCn1cc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001028486441 752822108 /nfs/dbraw/zinc/82/21/08/752822108.db2.gz FXBXMGPANQRWAC-LBPRGKRZSA-N 1 1 327.392 0.750 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001028491141 752833390 /nfs/dbraw/zinc/83/33/90/752833390.db2.gz SJJIIGGUTIDBQN-XJKSGUPXSA-N 1 1 348.472 0.888 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000982547786 752862736 /nfs/dbraw/zinc/86/27/36/752862736.db2.gz RKBGZFRCXFZJPC-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000982603447 753030437 /nfs/dbraw/zinc/03/04/37/753030437.db2.gz JHHLLHFFEXCXPP-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000982654895 753212385 /nfs/dbraw/zinc/21/23/85/753212385.db2.gz UWFOOZKGGLLHDF-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000982654895 753212389 /nfs/dbraw/zinc/21/23/89/753212389.db2.gz UWFOOZKGGLLHDF-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(-c3ccco3)o2)C1 ZINC001051493943 762203935 /nfs/dbraw/zinc/20/39/35/762203935.db2.gz CHJWSTGHITWXGO-RYUDHWBXSA-N 1 1 345.359 0.806 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(-c3ccco3)no2)C1 ZINC001051494961 762206242 /nfs/dbraw/zinc/20/62/42/762206242.db2.gz PPUXUZIZJOCSFA-NEPJUHHUSA-N 1 1 345.359 0.806 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C3CCC3)n2C)C1 ZINC001051494991 762207367 /nfs/dbraw/zinc/20/73/67/762207367.db2.gz PUJAVTMQTKWQRY-GXTWGEPZSA-N 1 1 346.435 0.559 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1C ZINC001051495222 762207523 /nfs/dbraw/zinc/20/75/23/762207523.db2.gz SKVQPTULMXITRN-OLZOCXBDSA-N 1 1 334.424 0.415 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1=O ZINC001028581648 753382955 /nfs/dbraw/zinc/38/29/55/753382955.db2.gz LIPAULVSXMQRKL-RHSMWYFYSA-N 1 1 340.427 0.975 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@@]2(C)C1 ZINC000982718397 753409455 /nfs/dbraw/zinc/40/94/55/753409455.db2.gz XVYKOAYOCJQECG-JCGIZDLHSA-N 1 1 343.431 0.657 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001008191557 753449440 /nfs/dbraw/zinc/44/94/40/753449440.db2.gz UYQVGHJUFWUPTO-OLZOCXBDSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001008191557 753449444 /nfs/dbraw/zinc/44/94/44/753449444.db2.gz UYQVGHJUFWUPTO-OLZOCXBDSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3nc(C)ccc3=O)C[C@@]2(C)C1 ZINC000982752865 753483426 /nfs/dbraw/zinc/48/34/26/753483426.db2.gz MPRGTXYRNSGPIQ-HDICACEKSA-N 1 1 330.432 0.908 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001008280995 753543001 /nfs/dbraw/zinc/54/30/01/753543001.db2.gz GVGDVBAXHKKOIA-GJZGRUSLSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001008280995 753543004 /nfs/dbraw/zinc/54/30/04/753543004.db2.gz GVGDVBAXHKKOIA-GJZGRUSLSA-N 1 1 332.404 0.585 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C3CCN(C(N)=O)CC3)C[C@@]2(C)C1 ZINC000982784123 753551835 /nfs/dbraw/zinc/55/18/35/753551835.db2.gz IEXZSCJPMLSVDI-KDURUIRLSA-N 1 1 346.475 0.971 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@]2(C)C1 ZINC000982785687 753562241 /nfs/dbraw/zinc/56/22/41/753562241.db2.gz ZLGADKJVZWBASM-HDICACEKSA-N 1 1 346.431 0.074 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001028588457 753566962 /nfs/dbraw/zinc/56/69/62/753566962.db2.gz ATLSYGUTIXIQHB-GFCCVEGCSA-N 1 1 327.388 0.749 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)c1nnn(C)n1 ZINC000989307874 753600390 /nfs/dbraw/zinc/60/03/90/753600390.db2.gz LVNIGJMDTVNNLJ-YGRLFVJLSA-N 1 1 343.366 0.614 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1 ZINC001008369209 753664806 /nfs/dbraw/zinc/66/48/06/753664806.db2.gz BVWMXNWWKHRJST-LSDHHAIUSA-N 1 1 327.388 0.320 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC001088674411 753677637 /nfs/dbraw/zinc/67/76/37/753677637.db2.gz ISYMDGSKLHKNQA-PWSUYJOCSA-N 1 1 327.406 0.696 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098682993 753692617 /nfs/dbraw/zinc/69/26/17/753692617.db2.gz MNIVXYHERIHQTI-IRXDYDNUSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000989365022 753697798 /nfs/dbraw/zinc/69/77/98/753697798.db2.gz YBHHNPKXNBEBNY-LTIDMASMSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000989365022 753697803 /nfs/dbraw/zinc/69/78/03/753697803.db2.gz YBHHNPKXNBEBNY-LTIDMASMSA-N 1 1 347.459 0.759 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001028593762 753763670 /nfs/dbraw/zinc/76/36/70/753763670.db2.gz SZEBNFJPMIMARK-GOEBONIOSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@@]2(C)C1 ZINC000982807442 753800898 /nfs/dbraw/zinc/80/08/98/753800898.db2.gz FLZFCIOIYXMKRF-YTQUADARSA-N 1 1 333.476 0.758 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@@]2(C)C1 ZINC000982807442 753800902 /nfs/dbraw/zinc/80/09/02/753800902.db2.gz FLZFCIOIYXMKRF-YTQUADARSA-N 1 1 333.476 0.758 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)CN3CCOCC3)C[C@@]2(C)C1 ZINC000982807441 753801196 /nfs/dbraw/zinc/80/11/96/753801196.db2.gz FLZFCIOIYXMKRF-QRQLOZEOSA-N 1 1 333.476 0.758 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)CN3CCOCC3)C[C@@]2(C)C1 ZINC000982807441 753801205 /nfs/dbraw/zinc/80/12/05/753801205.db2.gz FLZFCIOIYXMKRF-QRQLOZEOSA-N 1 1 333.476 0.758 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000982819432 753849839 /nfs/dbraw/zinc/84/98/39/753849839.db2.gz GEMCPGPRDHLPLX-UMVBOHGHSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000982822401 753861731 /nfs/dbraw/zinc/86/17/31/753861731.db2.gz YVYDTMCBZGPPDS-XJKCOSOUSA-N 1 1 343.431 0.805 20 30 ECEDMO CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583277 753864477 /nfs/dbraw/zinc/86/44/77/753864477.db2.gz QFKYTIDGYCZJGX-UKRRQHHQSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4nncn4C3)C[C@@]2(C)C1 ZINC000982831124 753883598 /nfs/dbraw/zinc/88/35/98/753883598.db2.gz GZBQMPFLAWSWOZ-JCGIZDLHSA-N 1 1 327.432 0.644 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001028603904 753901411 /nfs/dbraw/zinc/90/14/11/753901411.db2.gz LJEBSRPGECEGAU-OIISXLGYSA-N 1 1 330.432 0.959 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3c(C)ncn3C)C2)C1=O ZINC001028609779 753914561 /nfs/dbraw/zinc/91/45/61/753914561.db2.gz URCMSUYFASSDIB-GJZGRUSLSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccnc(C#N)n1 ZINC001105599363 753971563 /nfs/dbraw/zinc/97/15/63/753971563.db2.gz WJZRSIJQYUSBLJ-AWEZNQCLSA-N 1 1 326.404 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccnc(C#N)n1 ZINC001105599363 753971569 /nfs/dbraw/zinc/97/15/69/753971569.db2.gz WJZRSIJQYUSBLJ-AWEZNQCLSA-N 1 1 326.404 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)C3CCC3)[C@@H]2C1 ZINC001008700761 754027394 /nfs/dbraw/zinc/02/73/94/754027394.db2.gz VKCJDJIIPKMKJH-NXOAAHMSSA-N 1 1 329.444 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)C3CCC3)[C@@H]2C1 ZINC001008700761 754027403 /nfs/dbraw/zinc/02/74/03/754027403.db2.gz VKCJDJIIPKMKJH-NXOAAHMSSA-N 1 1 329.444 0.705 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001077457683 762264717 /nfs/dbraw/zinc/26/47/17/762264717.db2.gz YMYXBFSKZMIGHF-BPLDGKMQSA-N 1 1 334.420 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(C)=O)C1 ZINC001008747073 754069778 /nfs/dbraw/zinc/06/97/78/754069778.db2.gz SWTFLOMQPBYMHZ-UPJWGTAASA-N 1 1 331.338 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(C)=O)C1 ZINC001008747073 754069771 /nfs/dbraw/zinc/06/97/71/754069771.db2.gz SWTFLOMQPBYMHZ-UPJWGTAASA-N 1 1 331.338 0.609 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557574 754113754 /nfs/dbraw/zinc/11/37/54/754113754.db2.gz NDIVTUYAEKMWAH-INIZCTEOSA-N 1 1 343.493 0.959 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028639978 754142013 /nfs/dbraw/zinc/14/20/13/754142013.db2.gz HQNNRCILVBULEY-VXGBXAGGSA-N 1 1 339.827 0.737 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028639978 754142016 /nfs/dbraw/zinc/14/20/16/754142016.db2.gz HQNNRCILVBULEY-VXGBXAGGSA-N 1 1 339.827 0.737 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001008820090 754155182 /nfs/dbraw/zinc/15/51/82/754155182.db2.gz MPXASCCWKPVJCS-OAHLLOKOSA-N 1 1 348.451 0.726 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1=O ZINC000989599483 754180960 /nfs/dbraw/zinc/18/09/60/754180960.db2.gz OXFZEEWQYGDTBG-HNNXBMFYSA-N 1 1 344.415 0.722 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1=O ZINC000989599483 754180964 /nfs/dbraw/zinc/18/09/64/754180964.db2.gz OXFZEEWQYGDTBG-HNNXBMFYSA-N 1 1 344.415 0.722 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccco2)C1 ZINC000982923804 754207613 /nfs/dbraw/zinc/20/76/13/754207613.db2.gz RIGURAKSFIIXET-CABCVRRESA-N 1 1 329.400 0.956 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccco2)C1 ZINC000982923804 754207619 /nfs/dbraw/zinc/20/76/19/754207619.db2.gz RIGURAKSFIIXET-CABCVRRESA-N 1 1 329.400 0.956 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000982923587 754207797 /nfs/dbraw/zinc/20/77/97/754207797.db2.gz QRWSTNRKPCDXDM-ZBFHGGJFSA-N 1 1 328.416 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000982923587 754207801 /nfs/dbraw/zinc/20/78/01/754207801.db2.gz QRWSTNRKPCDXDM-ZBFHGGJFSA-N 1 1 328.416 0.691 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1Cl ZINC001105867256 762290245 /nfs/dbraw/zinc/29/02/45/762290245.db2.gz TZSJCDSHONPTAV-LBPRGKRZSA-N 1 1 348.794 0.701 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC001149182008 754422981 /nfs/dbraw/zinc/42/29/81/754422981.db2.gz LMNQIUUUYLQNOC-CABCVRRESA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC001149182008 754422985 /nfs/dbraw/zinc/42/29/85/754422985.db2.gz LMNQIUUUYLQNOC-CABCVRRESA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]CCn3cncn3)C[C@H]2C)CC1 ZINC000989829132 754498515 /nfs/dbraw/zinc/49/85/15/754498515.db2.gz OJKDCYYTDYYSJT-NVXWUHKLSA-N 1 1 344.463 0.202 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000983053374 754514494 /nfs/dbraw/zinc/51/44/94/754514494.db2.gz FHZAXSPIWXCPHT-HOCLYGCPSA-N 1 1 340.427 0.593 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cnc3sccn3c2=O)C1 ZINC001028670699 754527266 /nfs/dbraw/zinc/52/72/66/754527266.db2.gz TZETYKVPFAWYQA-LBPRGKRZSA-N 1 1 330.413 0.831 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(F)c[nH]3)C2)C1=O ZINC001028697529 754702703 /nfs/dbraw/zinc/70/27/03/754702703.db2.gz QOGAOYVIOBLSEM-WFASDCNBSA-N 1 1 334.395 0.992 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(=O)NC2CC2)CC3)c1 ZINC000990161286 754786362 /nfs/dbraw/zinc/78/63/62/754786362.db2.gz MJUQKXPPYGVMKY-YJBOKZPZSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)NC2CC2)CC3)c1 ZINC000990161286 754786365 /nfs/dbraw/zinc/78/63/65/754786365.db2.gz MJUQKXPPYGVMKY-YJBOKZPZSA-N 1 1 341.415 0.892 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)CC[N@H+]1C ZINC001009408935 754854541 /nfs/dbraw/zinc/85/45/41/754854541.db2.gz DAKYPQJMIDTXIM-PEJOBZMASA-N 1 1 343.471 0.951 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)cc1 ZINC001028731124 754888251 /nfs/dbraw/zinc/88/82/51/754888251.db2.gz ZYYOTYLJDCHAAK-DOTOQJQBSA-N 1 1 325.412 0.998 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990290439 754928851 /nfs/dbraw/zinc/92/88/51/754928851.db2.gz WTGCEKHEMIXEBL-CKEIUWERSA-N 1 1 329.404 0.877 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)[nH]1 ZINC000990278057 754933667 /nfs/dbraw/zinc/93/36/67/754933667.db2.gz TZWGFBZDZZEOJK-QAPCUYQASA-N 1 1 341.415 0.845 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)[nH]1 ZINC000990279249 754936134 /nfs/dbraw/zinc/93/61/34/754936134.db2.gz YUHMKBNGJOYLBB-QAPCUYQASA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)[nH]1 ZINC000990279249 754936138 /nfs/dbraw/zinc/93/61/38/754936138.db2.gz YUHMKBNGJOYLBB-QAPCUYQASA-N 1 1 341.415 0.892 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC000990306361 754939508 /nfs/dbraw/zinc/93/95/08/754939508.db2.gz JPNWJTZZNZNAGU-RISCZKNCSA-N 1 1 325.800 0.849 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC000990306361 754939514 /nfs/dbraw/zinc/93/95/14/754939514.db2.gz JPNWJTZZNZNAGU-RISCZKNCSA-N 1 1 325.800 0.849 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001028751800 754974079 /nfs/dbraw/zinc/97/40/79/754974079.db2.gz BFMIYLINDSVLBL-LJIZCISZSA-N 1 1 333.432 0.104 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001028751801 754974263 /nfs/dbraw/zinc/97/42/63/754974263.db2.gz BFMIYLINDSVLBL-OWYFMNJBSA-N 1 1 333.432 0.104 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000983269905 755031923 /nfs/dbraw/zinc/03/19/23/755031923.db2.gz WIXYHKCHRZCBCG-HOTGVXAUSA-N 1 1 340.427 0.593 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028772350 755058030 /nfs/dbraw/zinc/05/80/30/755058030.db2.gz CJIXBCBNPRMVNE-DOMZBBRYSA-N 1 1 327.388 0.178 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001028780711 755094915 /nfs/dbraw/zinc/09/49/15/755094915.db2.gz MRZRHKCZYSXRDO-ZFWWWQNUSA-N 1 1 333.432 0.976 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000983303848 755109414 /nfs/dbraw/zinc/10/94/14/755109414.db2.gz OHRKDFHVCSTLMA-UONOGXRCSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001028861200 755329856 /nfs/dbraw/zinc/32/98/56/755329856.db2.gz MRZHTOJZPOPSKP-BPUTZDHNSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001028861200 755329859 /nfs/dbraw/zinc/32/98/59/755329859.db2.gz MRZHTOJZPOPSKP-BPUTZDHNSA-N 1 1 333.436 0.734 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001028868461 755346016 /nfs/dbraw/zinc/34/60/16/755346016.db2.gz DYBDGBKSPSADEZ-CYBMUJFWSA-N 1 1 327.388 0.406 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cn(CCOC)nn3)CCC[C@@H]12 ZINC000990592888 755460576 /nfs/dbraw/zinc/46/05/76/755460576.db2.gz YQQIRHFVSVHERQ-WBVHZDCISA-N 1 1 331.420 0.675 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3nocc3C)C2)C1=O ZINC001028911435 755461556 /nfs/dbraw/zinc/46/15/56/755461556.db2.gz FDWPNGLZOFYXAL-KGLIPLIRSA-N 1 1 332.404 0.822 20 30 ECEDMO O=C(CN1CCCC1=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010079422 755632590 /nfs/dbraw/zinc/63/25/90/755632590.db2.gz NEHHMEUGSMHVIZ-KRWDZBQOSA-N 1 1 343.402 0.990 20 30 ECEDMO O=C(CN1CCCC1=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010079422 755632592 /nfs/dbraw/zinc/63/25/92/755632592.db2.gz NEHHMEUGSMHVIZ-KRWDZBQOSA-N 1 1 343.402 0.990 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(=O)[nH]nc(CC)c2CC)[C@@H](O)C1 ZINC001083501502 755744578 /nfs/dbraw/zinc/74/45/78/755744578.db2.gz QDNMPDGUPSOUOW-KGLIPLIRSA-N 1 1 332.404 0.105 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(=O)[nH]nc(CC)c2CC)[C@@H](O)C1 ZINC001083501502 755744580 /nfs/dbraw/zinc/74/45/80/755744580.db2.gz QDNMPDGUPSOUOW-KGLIPLIRSA-N 1 1 332.404 0.105 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@](C)(O)C3CC3)C2)nn1 ZINC001098659119 755790022 /nfs/dbraw/zinc/79/00/22/755790022.db2.gz MABAJGKKAPYMBG-NVXWUHKLSA-N 1 1 333.436 0.878 20 30 ECEDMO C#CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CNC(C)=O)CC1 ZINC001105673490 755800932 /nfs/dbraw/zinc/80/09/32/755800932.db2.gz METBAMIFKYIOMF-HDICACEKSA-N 1 1 346.475 0.285 20 30 ECEDMO Cc1nn2c(nc(C[NH2+]CCNC(=O)C#CC(C)(C)C)cc2=O)s1 ZINC001126893874 755846969 /nfs/dbraw/zinc/84/69/69/755846969.db2.gz YCSULZLGSGVUGQ-UHFFFAOYSA-N 1 1 347.444 0.715 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)cc1C#N ZINC001010252540 755887174 /nfs/dbraw/zinc/88/71/74/755887174.db2.gz JEMSKCKZEWGUCA-WBVHZDCISA-N 1 1 345.399 0.673 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)cc1C#N ZINC001010252540 755887181 /nfs/dbraw/zinc/88/71/81/755887181.db2.gz JEMSKCKZEWGUCA-WBVHZDCISA-N 1 1 345.399 0.673 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088828350 755956576 /nfs/dbraw/zinc/95/65/76/755956576.db2.gz HZFYULGLCKWUNC-VNQPRFMTSA-N 1 1 326.400 0.299 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088828350 755956581 /nfs/dbraw/zinc/95/65/81/755956581.db2.gz HZFYULGLCKWUNC-VNQPRFMTSA-N 1 1 326.400 0.299 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083536006 755976140 /nfs/dbraw/zinc/97/61/40/755976140.db2.gz YXYWUSIVBATKAW-SQNIBIBYSA-N 1 1 349.475 0.062 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001010341548 756023919 /nfs/dbraw/zinc/02/39/19/756023919.db2.gz HIAWGILXGOKHHJ-ZFWWWQNUSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001010341548 756023927 /nfs/dbraw/zinc/02/39/27/756023927.db2.gz HIAWGILXGOKHHJ-ZFWWWQNUSA-N 1 1 331.420 0.320 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnn(C)c2C)CC1 ZINC001010355380 756037067 /nfs/dbraw/zinc/03/70/67/756037067.db2.gz REFNASVIGWCRIT-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnn(C)c2C)CC1 ZINC001010355380 756037069 /nfs/dbraw/zinc/03/70/69/756037069.db2.gz REFNASVIGWCRIT-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cncn3)cc2)[C@@H](O)C1 ZINC001083542287 756093822 /nfs/dbraw/zinc/09/38/22/756093822.db2.gz RVBLQQQYHPLVQD-CVEARBPZSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCCO1 ZINC001076165936 756160258 /nfs/dbraw/zinc/16/02/58/756160258.db2.gz UFOMSTITYPFQOJ-JYJNAYRXSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCCO1 ZINC001076165936 756160262 /nfs/dbraw/zinc/16/02/62/756160262.db2.gz UFOMSTITYPFQOJ-JYJNAYRXSA-N 1 1 335.448 0.664 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)c1 ZINC001010482384 756172605 /nfs/dbraw/zinc/17/26/05/756172605.db2.gz XWSDABMJTXXKJE-CZUORRHYSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)c1 ZINC001010482384 756172609 /nfs/dbraw/zinc/17/26/09/756172609.db2.gz XWSDABMJTXXKJE-CZUORRHYSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cc1 ZINC001010548313 756228858 /nfs/dbraw/zinc/22/88/58/756228858.db2.gz XJUXYHSPQNSXRJ-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc(F)cn1 ZINC001076238760 756261224 /nfs/dbraw/zinc/26/12/24/756261224.db2.gz XNXSVEBCHWWNMI-BBRMVZONSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc(F)cn1 ZINC001076238760 756261226 /nfs/dbraw/zinc/26/12/26/756261226.db2.gz XNXSVEBCHWWNMI-BBRMVZONSA-N 1 1 346.406 0.943 20 30 ECEDMO Cc1cc(=O)n2nc(C[NH2+]CCNC(=O)C#CC(C)(C)C)sc2n1 ZINC001126921868 756283921 /nfs/dbraw/zinc/28/39/21/756283921.db2.gz YWSMWEROFDQVSO-UHFFFAOYSA-N 1 1 347.444 0.715 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001010618424 756312756 /nfs/dbraw/zinc/31/27/56/756312756.db2.gz AXMIXXLPBPOXGP-JKSUJKDBSA-N 1 1 328.416 0.602 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001010618424 756312759 /nfs/dbraw/zinc/31/27/59/756312759.db2.gz AXMIXXLPBPOXGP-JKSUJKDBSA-N 1 1 328.416 0.602 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cc1 ZINC001076333675 756388148 /nfs/dbraw/zinc/38/81/48/756388148.db2.gz HSFWZBHBJPWOJC-GOEBONIOSA-N 1 1 327.384 0.330 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cc1 ZINC001076333675 756388150 /nfs/dbraw/zinc/38/81/50/756388150.db2.gz HSFWZBHBJPWOJC-GOEBONIOSA-N 1 1 327.384 0.330 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001076411426 756482450 /nfs/dbraw/zinc/48/24/50/756482450.db2.gz HNZILATZFNAUNE-UYFTZEKXSA-N 1 1 347.459 0.520 20 30 ECEDMO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)cc1=O ZINC001010773276 756504986 /nfs/dbraw/zinc/50/49/86/756504986.db2.gz LAPGFFHLMHOXAD-CQSZACIVSA-N 1 1 326.356 0.854 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(Cn4cccn4)on3)[C@@H]2C1 ZINC001076440018 756517899 /nfs/dbraw/zinc/51/78/99/756517899.db2.gz PZWAQZQPVIUTLH-XJKSGUPXSA-N 1 1 325.372 0.699 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Cn4cccn4)on3)[C@@H]2C1 ZINC001076440018 756517902 /nfs/dbraw/zinc/51/79/02/756517902.db2.gz PZWAQZQPVIUTLH-XJKSGUPXSA-N 1 1 325.372 0.699 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)[C@@H]2C1 ZINC001076485318 756570333 /nfs/dbraw/zinc/57/03/33/756570333.db2.gz CXOCTVFRAAQMKD-UONOGXRCSA-N 1 1 336.823 0.837 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)[C@@H]2C1 ZINC001076485318 756570337 /nfs/dbraw/zinc/57/03/37/756570337.db2.gz CXOCTVFRAAQMKD-UONOGXRCSA-N 1 1 336.823 0.837 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1F ZINC001010841560 756590659 /nfs/dbraw/zinc/59/06/59/756590659.db2.gz NDEFRHDVLQWGHJ-GXTWGEPZSA-N 1 1 332.335 0.496 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1F ZINC001010841560 756590663 /nfs/dbraw/zinc/59/06/63/756590663.db2.gz NDEFRHDVLQWGHJ-GXTWGEPZSA-N 1 1 332.335 0.496 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1 ZINC001010844892 756595322 /nfs/dbraw/zinc/59/53/22/756595322.db2.gz WBMPCIBQKGGIHW-DZGCQCFKSA-N 1 1 344.371 0.388 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)C1CC(Nc2nc(C)[nH+]c(C)c2C)C1 ZINC001126930786 756605702 /nfs/dbraw/zinc/60/57/02/756605702.db2.gz JCAXNAMHCLIHFA-UHFFFAOYSA-N 1 1 343.431 0.943 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001076575785 756664781 /nfs/dbraw/zinc/66/47/81/756664781.db2.gz HVEORVNZKCSFCS-UONOGXRCSA-N 1 1 348.451 0.431 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001010920981 756671185 /nfs/dbraw/zinc/67/11/85/756671185.db2.gz PPYOXMRKOXIZFX-CYBMUJFWSA-N 1 1 329.404 0.513 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)nn1 ZINC001076577322 756690338 /nfs/dbraw/zinc/69/03/38/756690338.db2.gz ZNNCJODPTQNBAD-DZGCQCFKSA-N 1 1 348.451 0.573 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001076588131 756692730 /nfs/dbraw/zinc/69/27/30/756692730.db2.gz LREMGRIBRACZJY-HOTGVXAUSA-N 1 1 349.475 0.769 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001076598963 756714535 /nfs/dbraw/zinc/71/45/35/756714535.db2.gz XBLYWPUROXJVFV-NSHDSACASA-N 1 1 328.376 0.716 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)CC1 ZINC001076605897 756725612 /nfs/dbraw/zinc/72/56/12/756725612.db2.gz YPPZXBBOMIYPOS-NZSAHSFTSA-N 1 1 345.487 0.901 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)CC1 ZINC001076605897 756725617 /nfs/dbraw/zinc/72/56/17/756725617.db2.gz YPPZXBBOMIYPOS-NZSAHSFTSA-N 1 1 345.487 0.901 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccncc2C#N)C1 ZINC001060129899 756825241 /nfs/dbraw/zinc/82/52/41/756825241.db2.gz XLGGHZKOLZSTMS-DOTOQJQBSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccncc2C#N)C1 ZINC001060129899 756825246 /nfs/dbraw/zinc/82/52/46/756825246.db2.gz XLGGHZKOLZSTMS-DOTOQJQBSA-N 1 1 343.431 0.759 20 30 ECEDMO Cn1cc(CC[N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)cn1 ZINC001048771176 756944616 /nfs/dbraw/zinc/94/46/16/756944616.db2.gz DLMNJONHUWBKIG-GASCZTMLSA-N 1 1 338.415 0.866 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C4=CCOCC4)C[C@H]3C2)C1=O ZINC001048783032 756979592 /nfs/dbraw/zinc/97/95/92/756979592.db2.gz UJBRANSUYMDFCV-BBWFWOEESA-N 1 1 345.443 0.510 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4coc(C)n4)C[C@H]3C2)C1=O ZINC001048783301 756980277 /nfs/dbraw/zinc/98/02/77/756980277.db2.gz IRGQCEDGGIJUOS-LZWOXQAQSA-N 1 1 344.415 0.774 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(F)cn2)C1 ZINC000990952135 756983297 /nfs/dbraw/zinc/98/32/97/756983297.db2.gz DMBLXOQGTFSVIU-HNNXBMFYSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(F)cn2)C1 ZINC000990952135 756983305 /nfs/dbraw/zinc/98/33/05/756983305.db2.gz DMBLXOQGTFSVIU-HNNXBMFYSA-N 1 1 330.363 0.259 20 30 ECEDMO CCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)[nH]n1 ZINC001076758668 756984523 /nfs/dbraw/zinc/98/45/23/756984523.db2.gz CQJCXOQXYDVBQU-IAGOWNOFSA-N 1 1 339.399 0.819 20 30 ECEDMO CCc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)[nH]n1 ZINC001076758668 756984535 /nfs/dbraw/zinc/98/45/35/756984535.db2.gz CQJCXOQXYDVBQU-IAGOWNOFSA-N 1 1 339.399 0.819 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001048796126 757024769 /nfs/dbraw/zinc/02/47/69/757024769.db2.gz DGFGCYKSSYUTKE-AXFHLTTASA-N 1 1 344.209 0.394 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001048796126 757024775 /nfs/dbraw/zinc/02/47/75/757024775.db2.gz DGFGCYKSSYUTKE-AXFHLTTASA-N 1 1 344.209 0.394 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C(=O)CCc3cnc[nH]3)CC2)nn1 ZINC001011155243 757049058 /nfs/dbraw/zinc/04/90/58/757049058.db2.gz IDFKCRBARVABNR-UHFFFAOYSA-N 1 1 343.391 0.104 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CC4(F)F)C[C@H]3C2)C1=O ZINC001048807238 757059126 /nfs/dbraw/zinc/05/91/26/757059126.db2.gz LYXJLUMTDOBVEK-XJFOESAGSA-N 1 1 339.386 0.819 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076769078 757061682 /nfs/dbraw/zinc/06/16/82/757061682.db2.gz QJQFSVQROZKNFK-WFASDCNBSA-N 1 1 347.419 0.232 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076769078 757061689 /nfs/dbraw/zinc/06/16/89/757061689.db2.gz QJQFSVQROZKNFK-WFASDCNBSA-N 1 1 347.419 0.232 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001011159281 757061648 /nfs/dbraw/zinc/06/16/48/757061648.db2.gz RNMFIYSRAIYQAK-SFHVURJKSA-N 1 1 339.439 0.833 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@@H]1O ZINC001048811392 757071487 /nfs/dbraw/zinc/07/14/87/757071487.db2.gz WKLDXAAPSHNWHA-BXWFABGCSA-N 1 1 347.459 0.162 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@H]2C1 ZINC001048818204 757096383 /nfs/dbraw/zinc/09/63/83/757096383.db2.gz IFNBLPWNNLHPOL-KFWWJZLASA-N 1 1 343.431 0.729 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]2C1 ZINC001048822147 757108834 /nfs/dbraw/zinc/10/88/34/757108834.db2.gz ROLCXIPUWKCYKI-OKILXGFUSA-N 1 1 333.432 0.738 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@H]3C2)cc1 ZINC001048842914 757154013 /nfs/dbraw/zinc/15/40/13/757154013.db2.gz MOFJLEMUDRGGAG-CALCHBBNSA-N 1 1 336.399 0.740 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(OCC(N)=O)c3)C[C@H]2C1 ZINC001048848789 757174688 /nfs/dbraw/zinc/17/46/88/757174688.db2.gz UOUKHKYSFMXUGX-IYBDPMFKSA-N 1 1 341.411 0.578 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001011200732 757178381 /nfs/dbraw/zinc/17/83/81/757178381.db2.gz ZXWMVAINGKQBBN-RYRKJORJSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CC[C@H](C)F)C2)nn1 ZINC001107169355 757205134 /nfs/dbraw/zinc/20/51/34/757205134.db2.gz DICBKXISEPGWMD-STQMWFEESA-N 1 1 337.399 0.537 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CCCCOC)C2)nn1 ZINC001107169301 757205509 /nfs/dbraw/zinc/20/55/09/757205509.db2.gz BDZDYNXNRBZEKX-AWEZNQCLSA-N 1 1 349.435 0.216 20 30 ECEDMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076807022 757207080 /nfs/dbraw/zinc/20/70/80/757207080.db2.gz GJQJLGRYWUFISR-IAGOWNOFSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076807022 757207089 /nfs/dbraw/zinc/20/70/89/757207089.db2.gz GJQJLGRYWUFISR-IAGOWNOFSA-N 1 1 339.399 0.575 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]2C1 ZINC001048863812 757219830 /nfs/dbraw/zinc/21/98/30/757219830.db2.gz MAIUHWRLACOVIW-QLFBSQMISA-N 1 1 330.432 0.942 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3ncnn3C)C(C)(C)C2)c1 ZINC000996274099 757224179 /nfs/dbraw/zinc/22/41/79/757224179.db2.gz NFJVCDYUDLZOFJ-HNNXBMFYSA-N 1 1 338.415 0.832 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001030301388 762531424 /nfs/dbraw/zinc/53/14/24/762531424.db2.gz CTHVTHZLTBTMAQ-HOTGVXAUSA-N 1 1 334.464 0.447 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3ccn(C)n3)nn2)C1 ZINC001107176756 757256197 /nfs/dbraw/zinc/25/61/97/757256197.db2.gz LRJWRCHYCYAIGA-UHFFFAOYSA-N 1 1 343.435 0.693 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)CN3CCOCC3)C[C@H]2C1 ZINC001048891624 757314279 /nfs/dbraw/zinc/31/42/79/757314279.db2.gz VBPAVYGBICVIIR-CALCHBBNSA-N 1 1 333.476 0.758 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)CN3CCOCC3)C[C@H]2C1 ZINC001048891624 757314290 /nfs/dbraw/zinc/31/42/90/757314290.db2.gz VBPAVYGBICVIIR-CALCHBBNSA-N 1 1 333.476 0.758 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]2C1 ZINC001048893403 757318162 /nfs/dbraw/zinc/31/81/62/757318162.db2.gz WDAJZHAFHOYCMA-GASCZTMLSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@H]2C1 ZINC001048894145 757319766 /nfs/dbraw/zinc/31/97/66/757319766.db2.gz YSWBIKKIKMOQGP-GASCZTMLSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@H]2C1 ZINC001048898238 757333917 /nfs/dbraw/zinc/33/39/17/757333917.db2.gz KTQPZUXLKSXYNK-GASCZTMLSA-N 1 1 336.395 0.722 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC1 ZINC001021385213 757376280 /nfs/dbraw/zinc/37/62/80/757376280.db2.gz RQVNRWTXSWPSDG-VEDBGLOESA-N 1 1 347.459 0.968 20 30 ECEDMO CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)C1CCC1 ZINC001076855750 757398014 /nfs/dbraw/zinc/39/80/14/757398014.db2.gz LKHSYJGWKLGFMQ-OAGGEKHMSA-N 1 1 332.404 0.476 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@H]2C1 ZINC001048916382 757400698 /nfs/dbraw/zinc/40/06/98/757400698.db2.gz VAPBYCHCUHBMKJ-CALCHBBNSA-N 1 1 343.427 0.522 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)c3sccc3-n3cnnn3)C[C@H]2C1 ZINC001048917498 757407425 /nfs/dbraw/zinc/40/74/25/757407425.db2.gz IDVYVVZSJLHCBR-TXEJJXNPSA-N 1 1 330.417 0.914 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CN3CCCCC3=O)nn2)C1 ZINC001107184296 757415654 /nfs/dbraw/zinc/41/56/54/757415654.db2.gz ICVITDJACHJPJN-UHFFFAOYSA-N 1 1 346.435 0.340 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001051639585 762544357 /nfs/dbraw/zinc/54/43/57/762544357.db2.gz YCGSESFZBIGXMW-GFCCVEGCSA-N 1 1 341.843 0.911 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)COc3c(C)occc3=O)C[C@H]2C1 ZINC001048930822 757443767 /nfs/dbraw/zinc/44/37/67/757443767.db2.gz PYQUCCGBQOTPJC-GASCZTMLSA-N 1 1 330.384 0.741 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)cc1 ZINC001076885846 757466790 /nfs/dbraw/zinc/46/67/90/757466790.db2.gz PCOJJRDXKYSIFA-BRWVUGGUSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)cc1 ZINC001076885846 757466796 /nfs/dbraw/zinc/46/67/96/757466796.db2.gz PCOJJRDXKYSIFA-BRWVUGGUSA-N 1 1 329.400 0.789 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nncn4CC3)C[C@H]2C1 ZINC001048946543 757488416 /nfs/dbraw/zinc/48/84/16/757488416.db2.gz UAVFXOGNZXTRQZ-HRCADAONSA-N 1 1 327.432 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2conc2CC)CC1 ZINC001011314741 757489649 /nfs/dbraw/zinc/48/96/49/757489649.db2.gz IGTQLPFQFXRXES-INIZCTEOSA-N 1 1 344.415 0.619 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2conc2CC)CC1 ZINC001011314741 757489653 /nfs/dbraw/zinc/48/96/53/757489653.db2.gz IGTQLPFQFXRXES-INIZCTEOSA-N 1 1 344.415 0.619 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](OC)C2CCC2)CC1 ZINC001011314820 757491606 /nfs/dbraw/zinc/49/16/06/757491606.db2.gz MTRXOVZOSKRQAL-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](OC)C2CCC2)CC1 ZINC001011314820 757491612 /nfs/dbraw/zinc/49/16/12/757491612.db2.gz MTRXOVZOSKRQAL-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CCCC)C[C@H]2C1 ZINC001048960814 757524949 /nfs/dbraw/zinc/52/49/49/757524949.db2.gz NMAWQDOGXUFQRT-KSZLIROESA-N 1 1 333.476 0.901 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001105900188 762557042 /nfs/dbraw/zinc/55/70/42/762557042.db2.gz HAZSOTLTAYSYPR-CQSZACIVSA-N 1 1 343.391 0.223 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC000996405798 757563037 /nfs/dbraw/zinc/56/30/37/757563037.db2.gz IJOGQJACNOKZNE-GUTXKFCHSA-N 1 1 348.451 0.518 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)c[nH]1 ZINC001076907227 757563702 /nfs/dbraw/zinc/56/37/02/757563702.db2.gz GFZRGPYFAQSYSW-ARFHVFGLSA-N 1 1 332.404 0.620 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)c[nH]1 ZINC001076907546 757564753 /nfs/dbraw/zinc/56/47/53/757564753.db2.gz SOKVFYHATLNHFT-HZPDHXFCSA-N 1 1 332.404 0.478 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@H]3C2)s1 ZINC001048977595 757582542 /nfs/dbraw/zinc/58/25/42/757582542.db2.gz FIVCQZBNKVUMCH-TYNCELHUSA-N 1 1 344.440 0.646 20 30 ECEDMO CN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049003674 757664193 /nfs/dbraw/zinc/66/41/93/757664193.db2.gz PEZQOOGLIASJBY-HOTGVXAUSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021617479 757690715 /nfs/dbraw/zinc/69/07/15/757690715.db2.gz VANDTQHCNMGYGF-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCCNC2=O)C1 ZINC001021623738 757700816 /nfs/dbraw/zinc/70/08/16/757700816.db2.gz LFZNTQNTYRZEKC-CVEARBPZSA-N 1 1 332.448 0.738 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021623762 757703050 /nfs/dbraw/zinc/70/30/50/757703050.db2.gz PUOIIGWOLZQNOE-HUUCEWRRSA-N 1 1 346.431 0.838 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)cc1 ZINC001049019643 757712179 /nfs/dbraw/zinc/71/21/79/757712179.db2.gz UKHNTONELQJKFZ-OWCLPIDISA-N 1 1 339.399 0.130 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)cc1 ZINC001049019644 757712521 /nfs/dbraw/zinc/71/25/21/757712521.db2.gz UKHNTONELQJKFZ-XHSDSOJGSA-N 1 1 339.399 0.130 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021636951 757719073 /nfs/dbraw/zinc/71/90/73/757719073.db2.gz VGDQDEMDBWKMNT-GJZGRUSLSA-N 1 1 333.436 0.471 20 30 ECEDMO CN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O ZINC001049024208 757726438 /nfs/dbraw/zinc/72/64/38/757726438.db2.gz VQTUCGVUMZWJOW-ULQDDVLXSA-N 1 1 347.459 0.304 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)cc1F ZINC001021662533 757754718 /nfs/dbraw/zinc/75/47/18/757754718.db2.gz WJMAWHFADGSRGI-HOCLYGCPSA-N 1 1 344.390 0.996 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](CCN4C(=O)CCC4=O)C[C@@H]3C2)C1 ZINC001049044458 757771055 /nfs/dbraw/zinc/77/10/55/757771055.db2.gz HKPKFYHTVCJBDU-GASCZTMLSA-N 1 1 345.443 0.882 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(=O)n(CC)n2)C1 ZINC001021691883 757791404 /nfs/dbraw/zinc/79/14/04/757791404.db2.gz SBEUIEKPOXULKH-HOCLYGCPSA-N 1 1 328.416 0.823 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@H]2C1 ZINC001049055066 757792720 /nfs/dbraw/zinc/79/27/20/757792720.db2.gz XMAFNWOGECNBTI-XUWVNRHRSA-N 1 1 335.448 0.589 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021709652 757839156 /nfs/dbraw/zinc/83/91/56/757839156.db2.gz CXPJRUXFUJGDFO-UONOGXRCSA-N 1 1 334.420 0.379 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)c1 ZINC001049062885 757846905 /nfs/dbraw/zinc/84/69/05/757846905.db2.gz PKPZXUPSNYKVLN-TWMKSMIVSA-N 1 1 338.411 0.570 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001021712563 757847498 /nfs/dbraw/zinc/84/74/98/757847498.db2.gz JWLOYLYYTLGELB-NWDGAFQWSA-N 1 1 346.387 0.456 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(=O)n(C)n2)C1 ZINC001021728574 757870016 /nfs/dbraw/zinc/87/00/16/757870016.db2.gz UUMYOUNFLDSLPR-ZBFHGGJFSA-N 1 1 328.416 0.730 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(=O)n(C)n2)C1 ZINC001021728572 757870054 /nfs/dbraw/zinc/87/00/54/757870054.db2.gz UUMYOUNFLDSLPR-GOEBONIOSA-N 1 1 328.416 0.730 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cc(C)on2)C1 ZINC001021729179 757871433 /nfs/dbraw/zinc/87/14/33/757871433.db2.gz DDJIMKHOGALOEM-ZIAGYGMSSA-N 1 1 330.388 0.868 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CCC2=O)C1 ZINC001021729836 757872618 /nfs/dbraw/zinc/87/26/18/757872618.db2.gz HVORJNFRDATEKZ-HUUCEWRRSA-N 1 1 331.416 0.472 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CCC2=O)C1 ZINC001021730507 757873817 /nfs/dbraw/zinc/87/38/17/757873817.db2.gz NXRPDWCGUWMJMN-CABCVRRESA-N 1 1 331.416 0.472 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021732700 757877235 /nfs/dbraw/zinc/87/72/35/757877235.db2.gz GVJZZIDHLXTMBF-TZMCWYRMSA-N 1 1 330.388 0.046 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021734776 757880147 /nfs/dbraw/zinc/88/01/47/757880147.db2.gz ZQATXEYBMKIIJR-OCCSQVGLSA-N 1 1 332.404 0.598 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2nc3ncccn3n2)C1 ZINC001021737116 757885678 /nfs/dbraw/zinc/88/56/78/757885678.db2.gz RMXTUCBBEXKGRN-LSDHHAIUSA-N 1 1 338.415 0.613 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001076994361 757889191 /nfs/dbraw/zinc/88/91/91/757889191.db2.gz AAAYTMIXNXIVBM-NUEKZKHPSA-N 1 1 332.375 0.561 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@H]2C1 ZINC001049074980 757889967 /nfs/dbraw/zinc/88/99/67/757889967.db2.gz FQTGNWLHVSLFEY-OKILXGFUSA-N 1 1 330.432 0.931 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccon4)C[C@@H]3C2)nn1 ZINC001049103816 757965753 /nfs/dbraw/zinc/96/57/53/757965753.db2.gz XEFROXCKCGDJNI-BETUJISGSA-N 1 1 328.376 0.656 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccon4)C[C@@H]3C2)nn1 ZINC001049103816 757965758 /nfs/dbraw/zinc/96/57/58/757965758.db2.gz XEFROXCKCGDJNI-BETUJISGSA-N 1 1 328.376 0.656 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)cc1 ZINC001077041447 758024955 /nfs/dbraw/zinc/02/49/55/758024955.db2.gz PUFJIBCZDQSQHS-IAGOWNOFSA-N 1 1 340.383 0.892 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)cc1 ZINC001077041447 758024964 /nfs/dbraw/zinc/02/49/64/758024964.db2.gz PUFJIBCZDQSQHS-IAGOWNOFSA-N 1 1 340.383 0.892 20 30 ECEDMO C=CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CCCF)C2)nn1 ZINC001107241133 758043284 /nfs/dbraw/zinc/04/32/84/758043284.db2.gz NTAVJKUBECKOBH-LBPRGKRZSA-N 1 1 325.388 0.702 20 30 ECEDMO N#Cc1cncc(NC/C=C\CNC(=O)CC[NH+]2CCOCC2)n1 ZINC001107253699 758051352 /nfs/dbraw/zinc/05/13/52/758051352.db2.gz IHIGEFFGNNVZQX-UPHRSURJSA-N 1 1 330.392 0.155 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CCn3cnccc3=O)C[C@H]2C1 ZINC001049140433 758107487 /nfs/dbraw/zinc/10/74/87/758107487.db2.gz NQTMEEKLHNUVTR-IYBDPMFKSA-N 1 1 330.432 0.990 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001049164189 758189533 /nfs/dbraw/zinc/18/95/33/758189533.db2.gz YBGZSLOJHTWAAA-KKUMJFAQSA-N 1 1 337.464 0.713 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nc1 ZINC001011646803 758204955 /nfs/dbraw/zinc/20/49/55/758204955.db2.gz YWAHVTVUDMGBGE-INIZCTEOSA-N 1 1 340.427 0.689 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnsn3)CCC[C@@H]12 ZINC001107294946 758215978 /nfs/dbraw/zinc/21/59/78/758215978.db2.gz KFAGEAQSLJNKAD-CZUORRHYSA-N 1 1 347.444 0.262 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001049180289 758239490 /nfs/dbraw/zinc/23/94/90/758239490.db2.gz BMDKUAYYEQMMCQ-KBPBESRZSA-N 1 1 325.453 0.569 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@H]2C1 ZINC001049194304 758270805 /nfs/dbraw/zinc/27/08/05/758270805.db2.gz PHNYVDFTMLJXFC-TXEJJXNPSA-N 1 1 325.372 0.920 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099563837 758275173 /nfs/dbraw/zinc/27/51/73/758275173.db2.gz NQGJQTMVYJEGEA-HNNXBMFYSA-N 1 1 335.448 0.379 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099563837 758275180 /nfs/dbraw/zinc/27/51/80/758275180.db2.gz NQGJQTMVYJEGEA-HNNXBMFYSA-N 1 1 335.448 0.379 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnn(CC)n1 ZINC001077124309 758283058 /nfs/dbraw/zinc/28/30/58/758283058.db2.gz RJSWAIUSPNRYBJ-ZFWWWQNUSA-N 1 1 346.435 0.020 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnn(CC)n1 ZINC001077124309 758283068 /nfs/dbraw/zinc/28/30/68/758283068.db2.gz RJSWAIUSPNRYBJ-ZFWWWQNUSA-N 1 1 346.435 0.020 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](OCC)C1CC1 ZINC001077124843 758286554 /nfs/dbraw/zinc/28/65/54/758286554.db2.gz FYRRXVVPVXRVNP-XIRDDKMYSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](OCC)C1CC1 ZINC001077124843 758286559 /nfs/dbraw/zinc/28/65/59/758286559.db2.gz FYRRXVVPVXRVNP-XIRDDKMYSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001077125378 758290914 /nfs/dbraw/zinc/29/09/14/758290914.db2.gz TZNWKRDRMGTWIO-HOTGVXAUSA-N 1 1 336.480 0.437 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077139014 758295351 /nfs/dbraw/zinc/29/53/51/758295351.db2.gz UEVGLKHTERHFDI-NVXWUHKLSA-N 1 1 333.432 0.876 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnc(C)[nH]3)CCC[C@@H]12 ZINC001107328060 758296489 /nfs/dbraw/zinc/29/64/89/758296489.db2.gz WKHLZBUSKIOCHT-CRAIPNDOSA-N 1 1 345.447 0.995 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@H]2C1 ZINC001049213381 758330752 /nfs/dbraw/zinc/33/07/52/758330752.db2.gz OHSCRUFILPOHHW-OKILXGFUSA-N 1 1 326.404 0.633 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cccc(CNC(C)=O)c3)C[C@H]2C1 ZINC001049223628 758374140 /nfs/dbraw/zinc/37/41/40/758374140.db2.gz SLAVYXJSLDSURW-HDICACEKSA-N 1 1 325.412 0.960 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccn(C)c3)CCC[C@@H]12 ZINC001107357173 758383073 /nfs/dbraw/zinc/38/30/73/758383073.db2.gz WATKZBZFLZPFLD-VQIMIIECSA-N 1 1 342.443 0.749 20 30 ECEDMO CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)C[C@H](C)O2 ZINC001111539145 758390613 /nfs/dbraw/zinc/39/06/13/758390613.db2.gz WZBOXQDPNSNUAI-KBPBESRZSA-N 1 1 336.436 0.364 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3=CCOCC3)CCC[C@@H]12 ZINC001107372170 758395904 /nfs/dbraw/zinc/39/59/04/758395904.db2.gz SBCCREWTHCJLBK-CRAIPNDOSA-N 1 1 346.431 0.334 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](OC)C3CC3)CCC[C@@H]12 ZINC001107388945 758414960 /nfs/dbraw/zinc/41/49/60/758414960.db2.gz DAIIDMSZQRYLGP-HHXXYDBFSA-N 1 1 347.459 0.522 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(N)=O)CCC[C@@H]12 ZINC001107380270 758422550 /nfs/dbraw/zinc/42/25/50/758422550.db2.gz RKAORSWSPZRYQQ-JJRVBVJISA-N 1 1 338.452 0.607 20 30 ECEDMO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(=O)NC)CC2 ZINC001107384226 758430484 /nfs/dbraw/zinc/43/04/84/758430484.db2.gz UYMRSWSVLMSZFI-RDTXWAMCSA-N 1 1 348.447 0.606 20 30 ECEDMO C=CCC[NH+]1CC(OC2CCN(C(=O)CNC(=O)C3CC3)CC2)C1 ZINC001105690926 758436358 /nfs/dbraw/zinc/43/63/58/758436358.db2.gz DLMMMGKQLJWQTL-UHFFFAOYSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C)s2)C1 ZINC001022221077 758442776 /nfs/dbraw/zinc/44/27/76/758442776.db2.gz WTENAQHSLIIXKK-MJBXVCDLSA-N 1 1 333.461 0.681 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107401200 758498849 /nfs/dbraw/zinc/49/88/49/758498849.db2.gz BZVBSVLQPOVOSK-SJLPKXTDSA-N 1 1 345.447 0.679 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C)n2)C1=O ZINC001032317057 758511840 /nfs/dbraw/zinc/51/18/40/758511840.db2.gz CHNIUCDEDXYLHI-YDHLFZDLSA-N 1 1 329.404 0.404 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C)n2)C1=O ZINC001032317057 758511845 /nfs/dbraw/zinc/51/18/45/758511845.db2.gz CHNIUCDEDXYLHI-YDHLFZDLSA-N 1 1 329.404 0.404 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 ZINC001107413826 758526903 /nfs/dbraw/zinc/52/69/03/758526903.db2.gz VAMNJWFVTQAJLA-CXAGYDPISA-N 1 1 346.435 0.314 20 30 ECEDMO C=CCOc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)cc1 ZINC001022301733 758541925 /nfs/dbraw/zinc/54/19/25/758541925.db2.gz XGHQAGPKDRMOGK-OKILXGFUSA-N 1 1 342.403 0.826 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)N1CCOCC1 ZINC001049377916 758594060 /nfs/dbraw/zinc/59/40/60/758594060.db2.gz JWJJVSFAOMRFOD-RBSFLKMASA-N 1 1 334.420 0.070 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)N1CCOCC1 ZINC001049377916 758594066 /nfs/dbraw/zinc/59/40/66/758594066.db2.gz JWJJVSFAOMRFOD-RBSFLKMASA-N 1 1 334.420 0.070 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001077258150 758634160 /nfs/dbraw/zinc/63/41/60/758634160.db2.gz UGHOTMOIXNSPSD-HZPDHXFCSA-N 1 1 327.388 0.823 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001077258150 758634165 /nfs/dbraw/zinc/63/41/65/758634165.db2.gz UGHOTMOIXNSPSD-HZPDHXFCSA-N 1 1 327.388 0.823 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)N2CCC2)[nH]1 ZINC001049424823 758667774 /nfs/dbraw/zinc/66/77/74/758667774.db2.gz HTXNWEKDHYNBQO-HZPDHXFCSA-N 1 1 341.415 0.798 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 ZINC001022414881 758693888 /nfs/dbraw/zinc/69/38/88/758693888.db2.gz AEYRTOVALPERMB-QUSNUVHPSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 ZINC001022414881 758693893 /nfs/dbraw/zinc/69/38/93/758693893.db2.gz AEYRTOVALPERMB-QUSNUVHPSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCCS3(=O)=O)CCC[C@@H]12 ZINC001107488629 758754249 /nfs/dbraw/zinc/75/42/49/758754249.db2.gz QCXZUDWOXWNLOE-BFYDXBDKSA-N 1 1 338.473 0.948 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCCS3(=O)=O)CCC[C@@H]12 ZINC001107488629 758754254 /nfs/dbraw/zinc/75/42/54/758754254.db2.gz QCXZUDWOXWNLOE-BFYDXBDKSA-N 1 1 338.473 0.948 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)CCC[C@@H]12 ZINC001107510949 758784969 /nfs/dbraw/zinc/78/49/69/758784969.db2.gz DDEYMGNSXFQGMN-IHRRBPCASA-N 1 1 347.459 0.542 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001049499845 758809480 /nfs/dbraw/zinc/80/94/80/758809480.db2.gz BKVJPUUXQXLYFO-RBSFLKMASA-N 1 1 331.416 0.613 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049509755 758828382 /nfs/dbraw/zinc/82/83/82/758828382.db2.gz YSIAEARIEIOUFY-CABCVRRESA-N 1 1 339.461 0.111 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3sccn3c2=O)C1 ZINC001077335524 758842341 /nfs/dbraw/zinc/84/23/41/758842341.db2.gz VHXZIYYIYWHNKW-VXGBXAGGSA-N 1 1 334.401 0.107 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001049556981 758919092 /nfs/dbraw/zinc/91/90/92/758919092.db2.gz DJPKTSFDEUZWCP-QLFBSQMISA-N 1 1 343.431 0.635 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049581370 758958085 /nfs/dbraw/zinc/95/80/85/758958085.db2.gz ZHEKQIOMKFGMAZ-ZIAGYGMSSA-N 1 1 332.404 0.590 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001077420903 759041593 /nfs/dbraw/zinc/04/15/93/759041593.db2.gz AUYTVALJOXVESZ-NSHDSACASA-N 1 1 328.376 0.716 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001049673862 759074799 /nfs/dbraw/zinc/07/47/99/759074799.db2.gz AHPGHYRJECMFIS-KBPBESRZSA-N 1 1 325.372 0.976 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@@H]2C)CC1 ZINC001088838534 759106016 /nfs/dbraw/zinc/10/60/16/759106016.db2.gz OLYFETVENUZAHQ-HIFRSBDPSA-N 1 1 348.447 0.864 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049721956 759132090 /nfs/dbraw/zinc/13/20/90/759132090.db2.gz HIQLBWJIMKXJTM-FXUDXRNXSA-N 1 1 333.432 0.321 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001022842722 759166102 /nfs/dbraw/zinc/16/61/02/759166102.db2.gz AVNYOPWABAJUPP-FQLMCAECSA-N 1 1 348.451 0.801 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccncc3C)C2)C1=O ZINC001014443361 762697548 /nfs/dbraw/zinc/69/75/48/762697548.db2.gz MRHWOTLJYFCOGN-IRXDYDNUSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccncc3C)C2)C1=O ZINC001014443361 762697552 /nfs/dbraw/zinc/69/75/52/762697552.db2.gz MRHWOTLJYFCOGN-IRXDYDNUSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049810325 759242252 /nfs/dbraw/zinc/24/22/52/759242252.db2.gz DHHZEUUQAZMUHG-UONOGXRCSA-N 1 1 332.404 0.990 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3cc(C)sc3n2)[C@@H](O)C1 ZINC001083602887 759246539 /nfs/dbraw/zinc/24/65/39/759246539.db2.gz RWIMKQIKBAPNTN-KGLIPLIRSA-N 1 1 332.429 0.431 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)nn(C)c2Cl)[C@@H](O)C1 ZINC001083605981 759261084 /nfs/dbraw/zinc/26/10/84/759261084.db2.gz ZVMAYRGBSINOLA-OLZOCXBDSA-N 1 1 326.828 0.662 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049832342 759269254 /nfs/dbraw/zinc/26/92/54/759269254.db2.gz UYFGVIHXPFYRNO-KGLIPLIRSA-N 1 1 332.404 0.017 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049841356 759285028 /nfs/dbraw/zinc/28/50/28/759285028.db2.gz RTXITBQZSRIEAU-VXGBXAGGSA-N 1 1 346.387 0.599 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(NC(C)=O)cc2)[C@@H](O)C1 ZINC001083612898 759299096 /nfs/dbraw/zinc/29/90/96/759299096.db2.gz RGPGTHCAXQOSBP-SJORKVTESA-N 1 1 331.416 0.925 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001049861923 759312259 /nfs/dbraw/zinc/31/22/59/759312259.db2.gz GBGPPCRYNYDLEY-SQWLQELKSA-N 1 1 341.477 0.710 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049873374 759328095 /nfs/dbraw/zinc/32/80/95/759328095.db2.gz WUSZIYKYLQVSHQ-QWHCGFSZSA-N 1 1 332.404 0.015 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001047634091 759357625 /nfs/dbraw/zinc/35/76/25/759357625.db2.gz VVRYPZLUVBBJLV-IRXDYDNUSA-N 1 1 329.400 0.073 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001047634091 759357635 /nfs/dbraw/zinc/35/76/35/759357635.db2.gz VVRYPZLUVBBJLV-IRXDYDNUSA-N 1 1 329.400 0.073 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001047649865 759410132 /nfs/dbraw/zinc/41/01/32/759410132.db2.gz KSNAHYSPXSBDRH-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001047653879 759416042 /nfs/dbraw/zinc/41/60/42/759416042.db2.gz OGQFOOVEDCMDOO-HOTGVXAUSA-N 1 1 344.415 0.972 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@]3(CC[N@@H+](CCO)C3)C2)CC1 ZINC001054244937 767861442 /nfs/dbraw/zinc/86/14/42/767861442.db2.gz LLAMZTSVPDOQIA-LJQANCHMSA-N 1 1 333.476 0.638 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@]3(CC[N@H+](CCO)C3)C2)CC1 ZINC001054244937 767861449 /nfs/dbraw/zinc/86/14/49/767861449.db2.gz LLAMZTSVPDOQIA-LJQANCHMSA-N 1 1 333.476 0.638 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CCC(OC2C[NH+](CCCF)C2)CC1 ZINC001105704477 759537130 /nfs/dbraw/zinc/53/71/30/759537130.db2.gz WYBGYDUOODKOSO-UHFFFAOYSA-N 1 1 339.411 0.177 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001050043829 759607081 /nfs/dbraw/zinc/60/70/81/759607081.db2.gz KDJPKTIKDUYOQH-RRFJBIMHSA-N 1 1 329.400 0.128 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993004409 767875265 /nfs/dbraw/zinc/87/52/65/767875265.db2.gz BKCKNLWERJBMFJ-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993004409 767875272 /nfs/dbraw/zinc/87/52/72/767875272.db2.gz BKCKNLWERJBMFJ-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001077431402 759624095 /nfs/dbraw/zinc/62/40/95/759624095.db2.gz BGBROHSVVYPJQB-ZIAGYGMSSA-N 1 1 331.376 0.270 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c(C)nc[nH]c3=O)[C@@H]2C1 ZINC001050085518 759676631 /nfs/dbraw/zinc/67/66/31/759676631.db2.gz WSLHDMKVVWOHKU-GOEBONIOSA-N 1 1 328.416 0.979 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)cn1 ZINC001125110761 759703130 /nfs/dbraw/zinc/70/31/30/759703130.db2.gz LIMOXJDEKRDKSH-HNNXBMFYSA-N 1 1 342.403 0.414 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CN(C(=O)c3ccn[nH]3)CC2(C)C)C1=O ZINC000995525986 759706650 /nfs/dbraw/zinc/70/66/50/759706650.db2.gz NNNNTPWRGAABTP-JSGCOSHPSA-N 1 1 331.420 0.637 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCOc3c(F)cccc32)[C@@H](O)C1 ZINC001083628780 759713598 /nfs/dbraw/zinc/71/35/98/759713598.db2.gz NLYCDHFRNUILIA-BMFZPTHFSA-N 1 1 332.375 0.876 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCOc3c(F)cccc32)[C@@H](O)C1 ZINC001083628780 759713603 /nfs/dbraw/zinc/71/36/03/759713603.db2.gz NLYCDHFRNUILIA-BMFZPTHFSA-N 1 1 332.375 0.876 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C)n1 ZINC001050105824 759715283 /nfs/dbraw/zinc/71/52/83/759715283.db2.gz IFXDBRYPFFJFKG-KBMXLJTQSA-N 1 1 343.431 0.676 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C)n1 ZINC001050105824 759715288 /nfs/dbraw/zinc/71/52/88/759715288.db2.gz IFXDBRYPFFJFKG-KBMXLJTQSA-N 1 1 343.431 0.676 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ncc(C#N)cc1F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125111419 759719672 /nfs/dbraw/zinc/71/96/72/759719672.db2.gz WPJZZZJNSMWFOA-KBPBESRZSA-N 1 1 349.410 0.300 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ccn[nH]3)C2)CC1 ZINC001012334947 759741415 /nfs/dbraw/zinc/74/14/15/759741415.db2.gz SMTCQLHGQJVEMO-UKRRQHHQSA-N 1 1 343.431 0.474 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001050180836 759884265 /nfs/dbraw/zinc/88/42/65/759884265.db2.gz OQUXLEVZXVHLAA-UONOGXRCSA-N 1 1 334.420 0.379 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@@H]2C1 ZINC001050183198 759888564 /nfs/dbraw/zinc/88/85/64/759888564.db2.gz UGTVSGQYUYPWSD-NWDGAFQWSA-N 1 1 346.387 0.456 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ncc(C#N)cc2F)C1 ZINC001107093918 759898205 /nfs/dbraw/zinc/89/82/05/759898205.db2.gz OMQCSJQPLYSNMS-SFAKSCPVSA-N 1 1 333.367 0.507 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ncc(C#N)cc2F)C1 ZINC001107093918 759898218 /nfs/dbraw/zinc/89/82/18/759898218.db2.gz OMQCSJQPLYSNMS-SFAKSCPVSA-N 1 1 333.367 0.507 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)[C@@H]2C1 ZINC001050199519 759923866 /nfs/dbraw/zinc/92/38/66/759923866.db2.gz WHNJJBGUPZNSJR-DOTOQJQBSA-N 1 1 336.399 0.832 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1 ZINC001050200751 759925977 /nfs/dbraw/zinc/92/59/77/759925977.db2.gz RFZHJLXYFZFEBR-GXTWGEPZSA-N 1 1 332.404 0.598 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(C(N)=O)ccn3)[C@@H]2C1 ZINC001050221451 759965249 /nfs/dbraw/zinc/96/52/49/759965249.db2.gz ZGJFSROGXCIJBQ-GOEBONIOSA-N 1 1 326.400 0.740 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CC[C@H](NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001050377308 760204008 /nfs/dbraw/zinc/20/40/08/760204008.db2.gz JJTDPYMEOIGHPV-IHRRRGAJSA-N 1 1 346.435 0.470 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CC[C@H](NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001050377308 760204014 /nfs/dbraw/zinc/20/40/14/760204014.db2.gz JJTDPYMEOIGHPV-IHRRRGAJSA-N 1 1 346.435 0.470 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNc1ccnc(C#N)n1 ZINC001060223231 760371848 /nfs/dbraw/zinc/37/18/48/760371848.db2.gz PZXGPYHFIBENAT-KBPBESRZSA-N 1 1 328.420 0.657 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001012651209 760489791 /nfs/dbraw/zinc/48/97/91/760489791.db2.gz ZJJDEYCTONNLTR-ABAIWWIYSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1csc(-c2ncccn2)n1 ZINC001127056775 760550924 /nfs/dbraw/zinc/55/09/24/760550924.db2.gz JGCFYLPFCSAPAL-GFCCVEGCSA-N 1 1 345.428 0.844 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C2CCCC2)[C@@H](O)C1 ZINC001083723107 767961788 /nfs/dbraw/zinc/96/17/88/767961788.db2.gz VXEGDILKFMRAJS-IKGGRYGDSA-N 1 1 337.464 0.367 20 30 ECEDMO C#CCCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001048557351 760713147 /nfs/dbraw/zinc/71/31/47/760713147.db2.gz BQQNPCGASKVCSN-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001048563965 760725900 /nfs/dbraw/zinc/72/59/00/760725900.db2.gz PUQOJLIULFCGAC-KLOLGFOXSA-N 1 1 335.448 0.811 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1 ZINC000995905480 760754864 /nfs/dbraw/zinc/75/48/64/760754864.db2.gz AURLJMVCHJUETF-SYAUCNOPSA-N 1 1 341.415 0.842 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1c1cnc(C#N)cn1 ZINC001048587156 760759094 /nfs/dbraw/zinc/75/90/94/760759094.db2.gz JVSIXWHZFHLXRD-ZNMIVQPWSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)C2 ZINC001048592142 760767529 /nfs/dbraw/zinc/76/75/29/760767529.db2.gz MRDPYMKVLJMBJZ-BTTYYORXSA-N 1 1 326.400 0.787 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2ncccn2)C(C)(C)C1 ZINC000995920523 760778630 /nfs/dbraw/zinc/77/86/30/760778630.db2.gz FRWIWJDISGXATE-HOTGVXAUSA-N 1 1 341.459 0.901 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2ncccn2)C(C)(C)C1 ZINC000995920523 760778633 /nfs/dbraw/zinc/77/86/33/760778633.db2.gz FRWIWJDISGXATE-HOTGVXAUSA-N 1 1 341.459 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2csnn2)C(C)(C)C1 ZINC000995925217 760786093 /nfs/dbraw/zinc/78/60/93/760786093.db2.gz QVPVIXITGJTELP-LSDHHAIUSA-N 1 1 347.488 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2csnn2)C(C)(C)C1 ZINC000995925217 760786098 /nfs/dbraw/zinc/78/60/98/760786098.db2.gz QVPVIXITGJTELP-LSDHHAIUSA-N 1 1 347.488 0.962 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2nccs2)[C@@H](O)C1 ZINC001083668872 760854348 /nfs/dbraw/zinc/85/43/48/760854348.db2.gz KFCRMRHNYNKTQV-MCIONIFRSA-N 1 1 336.461 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(C(C)C)c2)C1 ZINC000995994240 760917277 /nfs/dbraw/zinc/91/72/77/760917277.db2.gz XAANISKEADIJJG-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(C(C)C)c2)C1 ZINC000995994240 760917283 /nfs/dbraw/zinc/91/72/83/760917283.db2.gz XAANISKEADIJJG-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC4N=NC(=O)N4C3)CCC[C@@H]12 ZINC000991443918 760970654 /nfs/dbraw/zinc/97/06/54/760970654.db2.gz DBRMGUJBANVNRC-PMUMKWKESA-N 1 1 343.431 0.683 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)CSC)C[C@]2(C)C1 ZINC001101176856 760990086 /nfs/dbraw/zinc/99/00/86/760990086.db2.gz RGAGUGCLHYUBDS-CPUCHLNUSA-N 1 1 337.489 0.515 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1ccccc1C#N ZINC001050848800 760994898 /nfs/dbraw/zinc/99/48/98/760994898.db2.gz PFSVUHBHZPCKFN-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001048721540 761033203 /nfs/dbraw/zinc/03/32/03/761033203.db2.gz IDMVRGJSAJXVOG-GRYCIOLGSA-N 1 1 342.237 0.564 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001048721540 761033210 /nfs/dbraw/zinc/03/32/10/761033210.db2.gz IDMVRGJSAJXVOG-GRYCIOLGSA-N 1 1 342.237 0.564 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@H]2CCOC2)[nH]1 ZINC001050872096 761045364 /nfs/dbraw/zinc/04/53/64/761045364.db2.gz JQPDCQNEBHUGCS-ZFWWWQNUSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@H]2CCOC2)[nH]1 ZINC001050872096 761045373 /nfs/dbraw/zinc/04/53/73/761045373.db2.gz JQPDCQNEBHUGCS-ZFWWWQNUSA-N 1 1 332.404 0.744 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1O ZINC001048741076 761098467 /nfs/dbraw/zinc/09/84/67/761098467.db2.gz UTHDKTUOWFDKJV-QAETUUGQSA-N 1 1 349.475 0.550 20 30 ECEDMO CN(C(=O)C[N@@H+](C)C1CCC1)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001127088598 761152099 /nfs/dbraw/zinc/15/20/99/761152099.db2.gz KDQPZQHYPZDQNG-UHFFFAOYSA-N 1 1 328.420 0.656 20 30 ECEDMO C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001050949325 761197371 /nfs/dbraw/zinc/19/73/71/761197371.db2.gz DYEGBHNEEXAEBA-HUUCEWRRSA-N 1 1 325.453 0.882 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)CSCC#N)C1 ZINC001050949898 761200339 /nfs/dbraw/zinc/20/03/39/761200339.db2.gz HSGLAZKNPNEJDJ-UONOGXRCSA-N 1 1 340.493 0.937 20 30 ECEDMO CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001050953936 761212514 /nfs/dbraw/zinc/21/25/14/761212514.db2.gz PCEXTVIRPXHXHQ-QZTJIDSGSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1ccon1 ZINC001050962055 761230100 /nfs/dbraw/zinc/23/01/00/761230100.db2.gz DRFCODRARFWIBC-CVEARBPZSA-N 1 1 332.404 0.089 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1ccon1 ZINC001050962055 761230105 /nfs/dbraw/zinc/23/01/05/761230105.db2.gz DRFCODRARFWIBC-CVEARBPZSA-N 1 1 332.404 0.089 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1OC ZINC001212149958 761317834 /nfs/dbraw/zinc/31/78/34/761317834.db2.gz LOZDYCJFWFNNIW-BZUAXINKSA-N 1 1 337.464 0.624 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1c1cncc(C#N)n1 ZINC001051017409 761343867 /nfs/dbraw/zinc/34/38/67/761343867.db2.gz WUVMBRMFLIXISI-GUTXKFCHSA-N 1 1 328.420 0.773 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)nn1 ZINC001054566580 768043611 /nfs/dbraw/zinc/04/36/11/768043611.db2.gz BEKZHWVLHQIIBB-ABAIWWIYSA-N 1 1 327.392 0.748 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1c1nccnc1C#N ZINC001051195763 761665863 /nfs/dbraw/zinc/66/58/63/761665863.db2.gz BSCJYTQPXSYSDK-GUIRCDHDSA-N 1 1 344.419 0.151 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1c1nccnc1C#N ZINC001051195763 761665871 /nfs/dbraw/zinc/66/58/71/761665871.db2.gz BSCJYTQPXSYSDK-GUIRCDHDSA-N 1 1 344.419 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccnc(C)n2)[C@@H]1C ZINC001051197260 761668671 /nfs/dbraw/zinc/66/86/71/761668671.db2.gz URXBEZQIGYIVJR-KBMXLJTQSA-N 1 1 327.432 0.966 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccnc(C)n2)[C@@H]1C ZINC001051197260 761668676 /nfs/dbraw/zinc/66/86/76/761668676.db2.gz URXBEZQIGYIVJR-KBMXLJTQSA-N 1 1 327.432 0.966 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)c2ccc(C#N)[nH]2)c(C)c(C)[nH+]1 ZINC001105788094 761794825 /nfs/dbraw/zinc/79/48/25/761794825.db2.gz FMUMVKVRXOGLPL-CYBMUJFWSA-N 1 1 328.376 0.804 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)cccc2C1 ZINC001051296503 761844280 /nfs/dbraw/zinc/84/42/80/761844280.db2.gz SITJHJDBPLHTHM-IRXDYDNUSA-N 1 1 325.412 0.806 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(CCO)CCNc1cc(C)ncc1C#N ZINC001111525528 761879502 /nfs/dbraw/zinc/87/95/02/761879502.db2.gz FIOXRWFOACKPSW-UHFFFAOYSA-N 1 1 347.463 0.647 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ncccc2C#N)C[C@H]1O ZINC001051698206 762722815 /nfs/dbraw/zinc/72/28/15/762722815.db2.gz ARRIYBANRRJUOF-LSDHHAIUSA-N 1 1 340.387 0.214 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001105915017 762727691 /nfs/dbraw/zinc/72/76/91/762727691.db2.gz OFZJRGDMTWGOQU-MGPQQGTHSA-N 1 1 336.440 0.375 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cn4c(n3)CCC4)C2)C1=O ZINC001014481078 762738969 /nfs/dbraw/zinc/73/89/69/762738969.db2.gz WXAIHDFDUXOZFG-UKRRQHHQSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cn4c(n3)CCC4)C2)C1=O ZINC001014481078 762738972 /nfs/dbraw/zinc/73/89/72/762738972.db2.gz WXAIHDFDUXOZFG-UKRRQHHQSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnn3CCC)C2)C1=O ZINC001014586441 762867076 /nfs/dbraw/zinc/86/70/76/762867076.db2.gz MISZURSQSCMVHA-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccnn3CCC)C2)C1=O ZINC001014586441 762867086 /nfs/dbraw/zinc/86/70/86/762867086.db2.gz MISZURSQSCMVHA-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1=O ZINC001014613060 762901633 /nfs/dbraw/zinc/90/16/33/762901633.db2.gz ATKDVKVEBCLSSM-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC1=O ZINC001014613060 762901635 /nfs/dbraw/zinc/90/16/35/762901635.db2.gz ATKDVKVEBCLSSM-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO Cc1nsc(NCC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001106294192 768096238 /nfs/dbraw/zinc/09/62/38/768096238.db2.gz QEWHKYSQIMWCTB-ZWNOBZJWSA-N 1 1 337.449 0.961 20 30 ECEDMO Cc1nsc(NCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001106294192 768096246 /nfs/dbraw/zinc/09/62/46/768096246.db2.gz QEWHKYSQIMWCTB-ZWNOBZJWSA-N 1 1 337.449 0.961 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC001051814986 763029576 /nfs/dbraw/zinc/02/95/76/763029576.db2.gz NRUONJLWIPZYOI-AWEZNQCLSA-N 1 1 346.435 0.681 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001014732239 763050838 /nfs/dbraw/zinc/05/08/38/763050838.db2.gz RTLWMZIOJJPBCK-AWEZNQCLSA-N 1 1 331.420 0.503 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cn(CC)nn2)C1 ZINC001051834253 763076862 /nfs/dbraw/zinc/07/68/62/763076862.db2.gz KXSIAVHBLXEZLT-XHSDSOJGSA-N 1 1 349.435 0.206 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCCC3)C2)cn1 ZINC001046779313 763114177 /nfs/dbraw/zinc/11/41/77/763114177.db2.gz QUFRCARGIOUCHF-LJQANCHMSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCCC3)C2)cn1 ZINC001046779313 763114180 /nfs/dbraw/zinc/11/41/80/763114180.db2.gz QUFRCARGIOUCHF-LJQANCHMSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001046779673 763115055 /nfs/dbraw/zinc/11/50/55/763115055.db2.gz XJCACTYTJHVJHY-UGSOOPFHSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001046779673 763115059 /nfs/dbraw/zinc/11/50/59/763115059.db2.gz XJCACTYTJHVJHY-UGSOOPFHSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCCNC3=O)C2)nc1 ZINC001046781589 763116565 /nfs/dbraw/zinc/11/65/65/763116565.db2.gz KAZZVUSUSIXQEB-QAPCUYQASA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCCNC3=O)C2)nc1 ZINC001046781589 763116569 /nfs/dbraw/zinc/11/65/69/763116569.db2.gz KAZZVUSUSIXQEB-QAPCUYQASA-N 1 1 326.400 0.536 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)cn1 ZINC001089841384 763121864 /nfs/dbraw/zinc/12/18/64/763121864.db2.gz FPVYYDLFWWKAAI-MPTYRVRUSA-N 1 1 340.427 0.586 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(OC)ccn2)C1 ZINC001014770810 763128409 /nfs/dbraw/zinc/12/84/09/763128409.db2.gz SRPOKKOQJNLXNG-QAPCUYQASA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(OC)ccn2)C1 ZINC001014770810 763128414 /nfs/dbraw/zinc/12/84/14/763128414.db2.gz SRPOKKOQJNLXNG-QAPCUYQASA-N 1 1 342.443 0.878 20 30 ECEDMO Cn1cc(C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)ncc1=O ZINC001031862754 763128943 /nfs/dbraw/zinc/12/89/43/763128943.db2.gz NJEYNZJKDNLXDQ-UHFFFAOYSA-N 1 1 337.383 0.514 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001105973024 763137575 /nfs/dbraw/zinc/13/75/75/763137575.db2.gz SNGRXTWSFKSQCP-CVEARBPZSA-N 1 1 331.420 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nn(C)cc2Cl)C1 ZINC001014779288 763139115 /nfs/dbraw/zinc/13/91/15/763139115.db2.gz KHZYRQZWZWKQEV-CJNGLKHVSA-N 1 1 349.866 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nn(C)cc2Cl)C1 ZINC001014779288 763139120 /nfs/dbraw/zinc/13/91/20/763139120.db2.gz KHZYRQZWZWKQEV-CJNGLKHVSA-N 1 1 349.866 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(C)ncn2)C1 ZINC001014779832 763139929 /nfs/dbraw/zinc/13/99/29/763139929.db2.gz NWMHPFOOMUDBMO-RDJZCZTQSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(C)ncn2)C1 ZINC001014779832 763139934 /nfs/dbraw/zinc/13/99/34/763139934.db2.gz NWMHPFOOMUDBMO-RDJZCZTQSA-N 1 1 327.432 0.573 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCNC(=O)C1 ZINC001089850293 763179484 /nfs/dbraw/zinc/17/94/84/763179484.db2.gz NGKLXUDZVHVJHJ-YVSFHVDLSA-N 1 1 346.475 0.163 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 ZINC001046829683 763188021 /nfs/dbraw/zinc/18/80/21/763188021.db2.gz IXUKNDAJSHLCPL-UMVBOHGHSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 ZINC001046829683 763188024 /nfs/dbraw/zinc/18/80/24/763188024.db2.gz IXUKNDAJSHLCPL-UMVBOHGHSA-N 1 1 344.419 0.376 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCCNC1=O ZINC001014812762 763216975 /nfs/dbraw/zinc/21/69/75/763216975.db2.gz VFDZPRMPTIKILZ-IAGOWNOFSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCCNC1=O ZINC001014812762 763216984 /nfs/dbraw/zinc/21/69/84/763216984.db2.gz VFDZPRMPTIKILZ-IAGOWNOFSA-N 1 1 343.402 0.894 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN([C@@H]3CCCNC3=O)C2)CC1 ZINC001046849056 763226894 /nfs/dbraw/zinc/22/68/94/763226894.db2.gz ADPMLSGVSIRRRK-VQIMIIECSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN([C@H]3CCCNC3=O)C2)CC1 ZINC001046849054 763227284 /nfs/dbraw/zinc/22/72/84/763227284.db2.gz ADPMLSGVSIRRRK-LPHOPBHVSA-N 1 1 346.475 0.191 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@]2(C)CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001046886109 763299729 /nfs/dbraw/zinc/29/97/29/763299729.db2.gz GFEJKGULMJAFAU-RDTXWAMCSA-N 1 1 345.447 0.947 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127319788 768131034 /nfs/dbraw/zinc/13/10/34/768131034.db2.gz CQJWQEILNXAANI-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO CCN(CCNc1nccnc1C#N)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001106921598 763346867 /nfs/dbraw/zinc/34/68/67/763346867.db2.gz NKZOKRKYWYDKMI-OAHLLOKOSA-N 1 1 346.435 0.718 20 30 ECEDMO CCN(CCNc1nccnc1C#N)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001106921598 763346875 /nfs/dbraw/zinc/34/68/75/763346875.db2.gz NKZOKRKYWYDKMI-OAHLLOKOSA-N 1 1 346.435 0.718 20 30 ECEDMO C[C@H](O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046930219 763406454 /nfs/dbraw/zinc/40/64/54/763406454.db2.gz YGANVKKUJNXQIX-CMPLNLGQSA-N 1 1 326.347 0.954 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046930759 763408789 /nfs/dbraw/zinc/40/87/89/763408789.db2.gz IXAKDCBTWCXYHC-GHMZBOCLSA-N 1 1 326.347 0.954 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccncc3C#N)C2)C1 ZINC001051948658 763421207 /nfs/dbraw/zinc/42/12/07/763421207.db2.gz WWLGTAUSHROKAE-PUJMQQBBSA-N 1 1 343.431 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccncc3C#N)C2)C1 ZINC001051948658 763421213 /nfs/dbraw/zinc/42/12/13/763421213.db2.gz WWLGTAUSHROKAE-PUJMQQBBSA-N 1 1 343.431 0.403 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001046969505 763487110 /nfs/dbraw/zinc/48/71/10/763487110.db2.gz BZJRLZCSXHSSIL-QWHCGFSZSA-N 1 1 327.375 0.752 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001046969505 763487120 /nfs/dbraw/zinc/48/71/20/763487120.db2.gz BZJRLZCSXHSSIL-QWHCGFSZSA-N 1 1 327.375 0.752 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001046970313 763488799 /nfs/dbraw/zinc/48/87/99/763488799.db2.gz IMIDUTDKZUOPTH-NSHDSACASA-N 1 1 326.347 0.836 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001046970313 763488806 /nfs/dbraw/zinc/48/88/06/763488806.db2.gz IMIDUTDKZUOPTH-NSHDSACASA-N 1 1 326.347 0.836 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCC2(F)F)nn1 ZINC001046977974 763498251 /nfs/dbraw/zinc/49/82/51/763498251.db2.gz OFWRZKPFSSOHHD-NSHDSACASA-N 1 1 329.351 0.143 20 30 ECEDMO C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001046996757 763536972 /nfs/dbraw/zinc/53/69/72/763536972.db2.gz RIERDCVADUDILH-JTQLQIEISA-N 1 1 339.346 0.449 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001046996757 763536975 /nfs/dbraw/zinc/53/69/75/763536975.db2.gz RIERDCVADUDILH-JTQLQIEISA-N 1 1 339.346 0.449 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001046996906 763539654 /nfs/dbraw/zinc/53/96/54/763539654.db2.gz ZYUXJWFUAUJLEJ-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001046996906 763539659 /nfs/dbraw/zinc/53/96/59/763539659.db2.gz ZYUXJWFUAUJLEJ-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2ccnc(C#N)n2)C1 ZINC001051999516 763555253 /nfs/dbraw/zinc/55/52/53/763555253.db2.gz FRLOIQUEEZTMEX-NRXISQOPSA-N 1 1 342.447 0.950 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)CC1 ZINC001052003794 763565983 /nfs/dbraw/zinc/56/59/83/763565983.db2.gz BQBAQCAYKZYPQI-HNNXBMFYSA-N 1 1 328.416 0.643 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(F)cn3)C2)C1=O ZINC001014978959 763600930 /nfs/dbraw/zinc/60/09/30/763600930.db2.gz OHDRPXDKEKTLBQ-HZPDHXFCSA-N 1 1 346.406 0.741 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3ccc(F)cn3)C2)C1=O ZINC001014978959 763600932 /nfs/dbraw/zinc/60/09/32/763600932.db2.gz OHDRPXDKEKTLBQ-HZPDHXFCSA-N 1 1 346.406 0.741 20 30 ECEDMO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NC2(C#N)CCN(C)CC2)cn1 ZINC001127702912 763612076 /nfs/dbraw/zinc/61/20/76/763612076.db2.gz MPOLNNLGWBITPN-HZPDHXFCSA-N 1 1 344.463 0.560 20 30 ECEDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(C#N)CCN(C)CC2)cn1 ZINC001127702912 763612083 /nfs/dbraw/zinc/61/20/83/763612083.db2.gz MPOLNNLGWBITPN-HZPDHXFCSA-N 1 1 344.463 0.560 20 30 ECEDMO CCn1ccc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052031431 763632539 /nfs/dbraw/zinc/63/25/39/763632539.db2.gz OAENVIYRZDJFJC-MRXNPFEDSA-N 1 1 330.436 0.188 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001052035600 763643711 /nfs/dbraw/zinc/64/37/11/763643711.db2.gz FFTTYURPOKMBKV-MOPGFXCFSA-N 1 1 346.519 0.816 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCn3ccccc3=O)C2)CC1 ZINC001052035851 763645468 /nfs/dbraw/zinc/64/54/68/763645468.db2.gz RRIAKECMHGOUDL-QGZVFWFLSA-N 1 1 344.459 0.643 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCn3ccccc3=O)C2)CC1 ZINC001052035851 763645470 /nfs/dbraw/zinc/64/54/70/763645470.db2.gz RRIAKECMHGOUDL-QGZVFWFLSA-N 1 1 344.459 0.643 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C2)CC1 ZINC001052041652 763668015 /nfs/dbraw/zinc/66/80/15/763668015.db2.gz OCAXENCXMYDOOK-OAHLLOKOSA-N 1 1 345.447 0.431 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)C2)CC1 ZINC001052044986 763681313 /nfs/dbraw/zinc/68/13/13/763681313.db2.gz PGHLORXVKMKENT-SJLPKXTDSA-N 1 1 341.459 0.297 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC001052047632 763691558 /nfs/dbraw/zinc/69/15/58/763691558.db2.gz ULGLWPXTZCZASY-MJGOQNOKSA-N 1 1 339.439 0.842 20 30 ECEDMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015025072 763692509 /nfs/dbraw/zinc/69/25/09/763692509.db2.gz OWSFBSBIBKZRMW-RTBURBONSA-N 1 1 341.455 0.949 20 30 ECEDMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015025072 763692513 /nfs/dbraw/zinc/69/25/13/763692513.db2.gz OWSFBSBIBKZRMW-RTBURBONSA-N 1 1 341.455 0.949 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)CC1 ZINC001052052101 763714703 /nfs/dbraw/zinc/71/47/03/763714703.db2.gz IJGCQFNXWMWKSH-AWEZNQCLSA-N 1 1 346.431 0.402 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2nc(=O)n(C)[nH]2)C3)C1 ZINC001047142178 763718809 /nfs/dbraw/zinc/71/88/09/763718809.db2.gz DJBJXQGQWKXESL-IHRRRGAJSA-N 1 1 345.447 0.934 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC001052057909 763733731 /nfs/dbraw/zinc/73/37/31/763733731.db2.gz VATTYWVGRIKCNP-DLBZAZTESA-N 1 1 346.475 0.145 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc4[nH]ncc43)C2)CC1 ZINC001052060589 763741910 /nfs/dbraw/zinc/74/19/10/763741910.db2.gz IMTMELAMLGWIFB-AWEZNQCLSA-N 1 1 338.415 0.919 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCc4cccnc43)C2)CC1 ZINC001052069020 763764488 /nfs/dbraw/zinc/76/44/88/763764488.db2.gz PAZOREXVMAEPIO-DLBZAZTESA-N 1 1 339.443 0.853 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)c3cncnc3)C2)CC1 ZINC001052071749 763773610 /nfs/dbraw/zinc/77/36/10/763773610.db2.gz YRYLUALYKTWUSK-SJLPKXTDSA-N 1 1 341.459 0.822 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047184988 763780791 /nfs/dbraw/zinc/78/07/91/763780791.db2.gz KWNZUXHYDYGNLS-KKUMJFAQSA-N 1 1 329.400 0.669 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3conc3CC)C2)C1=O ZINC001031955895 763786539 /nfs/dbraw/zinc/78/65/39/763786539.db2.gz UUSDPVKUASOHSM-OAHLLOKOSA-N 1 1 332.404 0.686 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)Oc3cccnc3)C2)CC1 ZINC001052079518 763793703 /nfs/dbraw/zinc/79/37/03/763793703.db2.gz BWIRISIIKQDVOX-IAGOWNOFSA-N 1 1 342.443 0.701 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3nccc4[nH]ccc43)C2)CC1 ZINC001052086205 763813865 /nfs/dbraw/zinc/81/38/65/763813865.db2.gz OVJYIPHYTHWIJO-AWEZNQCLSA-N 1 1 338.415 0.919 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052086645 763815022 /nfs/dbraw/zinc/81/50/22/763815022.db2.gz DZOSGEQEPXNXAK-OAHLLOKOSA-N 1 1 337.855 0.941 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052086645 763815030 /nfs/dbraw/zinc/81/50/30/763815030.db2.gz DZOSGEQEPXNXAK-OAHLLOKOSA-N 1 1 337.855 0.941 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603769 763816501 /nfs/dbraw/zinc/81/65/01/763816501.db2.gz OJXJSSVZIRPYMY-DOTOQJQBSA-N 1 1 331.464 0.355 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941604112 763817723 /nfs/dbraw/zinc/81/77/23/763817723.db2.gz TUGMHVDUGWZGLZ-IEBWSBKVSA-N 1 1 344.503 0.855 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941604111 763818100 /nfs/dbraw/zinc/81/81/00/763818100.db2.gz TUGMHVDUGWZGLZ-HKUYNNGSSA-N 1 1 344.503 0.855 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3)C2)CC1 ZINC001052089450 763824829 /nfs/dbraw/zinc/82/48/29/763824829.db2.gz QYOUEQSNQSKUHI-IAGOWNOFSA-N 1 1 329.448 0.686 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001015082260 763839881 /nfs/dbraw/zinc/83/98/81/763839881.db2.gz AEHICQJDAYDMJY-NSHDSACASA-N 1 1 327.406 0.697 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNc1cccc(F)c1C#N ZINC001106026829 763872464 /nfs/dbraw/zinc/87/24/64/763872464.db2.gz SVQWHXKOVYOBLO-LBPRGKRZSA-N 1 1 331.351 0.792 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)CC1 ZINC001052106982 763884855 /nfs/dbraw/zinc/88/48/55/763884855.db2.gz YKZBAPILMQGUOO-JKSUJKDBSA-N 1 1 349.479 0.324 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)CC1 ZINC001052106982 763884863 /nfs/dbraw/zinc/88/48/63/763884863.db2.gz YKZBAPILMQGUOO-JKSUJKDBSA-N 1 1 349.479 0.324 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3conc3COC)C2)CC1 ZINC001052108694 763892116 /nfs/dbraw/zinc/89/21/16/763892116.db2.gz OWIPAMDQZWIOIF-CQSZACIVSA-N 1 1 334.420 0.839 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC001052109643 763896100 /nfs/dbraw/zinc/89/61/00/763896100.db2.gz DZVLNJQZWDGGTC-OAHLLOKOSA-N 1 1 330.432 0.403 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC001052109643 763896109 /nfs/dbraw/zinc/89/61/09/763896109.db2.gz DZVLNJQZWDGGTC-OAHLLOKOSA-N 1 1 330.432 0.403 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(CCOC)c3)C2)CC1 ZINC001052112937 763909472 /nfs/dbraw/zinc/90/94/72/763909472.db2.gz IAFXAVVPJXZODX-QGZVFWFLSA-N 1 1 347.463 0.548 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C2)CC1 ZINC001052117662 763928327 /nfs/dbraw/zinc/92/83/27/763928327.db2.gz WMHZCCJAWOPKPG-QGZVFWFLSA-N 1 1 342.443 0.804 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C2)CC1 ZINC001052117662 763928334 /nfs/dbraw/zinc/92/83/34/763928334.db2.gz WMHZCCJAWOPKPG-QGZVFWFLSA-N 1 1 342.443 0.804 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052120142 763937951 /nfs/dbraw/zinc/93/79/51/763937951.db2.gz ZIKZZLJFKKAKGX-HOCLYGCPSA-N 1 1 342.447 0.257 20 30 ECEDMO CN(CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)c1ccccc1 ZINC001052122754 763947653 /nfs/dbraw/zinc/94/76/53/763947653.db2.gz ZMDTZKOZYTYXBR-SFHVURJKSA-N 1 1 341.459 0.865 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cncc(F)c3)C2)CC1 ZINC001052125187 763953264 /nfs/dbraw/zinc/95/32/64/763953264.db2.gz LOFMSUUXOYWAOU-KRWDZBQOSA-N 1 1 345.422 0.895 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nn(CC)nc3C)C2)CC1 ZINC001052124562 763953669 /nfs/dbraw/zinc/95/36/69/763953669.db2.gz DNXRCZNUVOHLMU-OAHLLOKOSA-N 1 1 332.452 0.625 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2nccc(OC)n2)C1 ZINC001052132481 763964065 /nfs/dbraw/zinc/96/40/65/763964065.db2.gz UYOANGPDBLMOKL-NRXISQOPSA-N 1 1 343.431 0.890 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2nccc(OC)n2)C1 ZINC001052132481 763964068 /nfs/dbraw/zinc/96/40/68/763964068.db2.gz UYOANGPDBLMOKL-NRXISQOPSA-N 1 1 343.431 0.890 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001047337846 764045924 /nfs/dbraw/zinc/04/59/24/764045924.db2.gz KOCSGFWSIFPMOG-GJZGRUSLSA-N 1 1 345.428 0.703 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001047337846 764045927 /nfs/dbraw/zinc/04/59/27/764045927.db2.gz KOCSGFWSIFPMOG-GJZGRUSLSA-N 1 1 345.428 0.703 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001047353837 764090240 /nfs/dbraw/zinc/09/02/40/764090240.db2.gz OLPIQRBUFJZAOZ-PMPSAXMXSA-N 1 1 332.404 0.573 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnns3)CC2)C1=O ZINC001052232797 764101401 /nfs/dbraw/zinc/10/14/01/764101401.db2.gz PNORUSBIMNEKLO-STQMWFEESA-N 1 1 349.460 0.909 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001047379591 764167055 /nfs/dbraw/zinc/16/70/55/764167055.db2.gz HMNSIEIMWVFBHT-RCBQFDQVSA-N 1 1 336.436 0.702 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001047379591 764167058 /nfs/dbraw/zinc/16/70/58/764167058.db2.gz HMNSIEIMWVFBHT-RCBQFDQVSA-N 1 1 336.436 0.702 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001047380062 764169109 /nfs/dbraw/zinc/16/91/09/764169109.db2.gz XKLNIGLQYDAHGZ-PVAVHDDUSA-N 1 1 346.431 0.293 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001047380062 764169111 /nfs/dbraw/zinc/16/91/11/764169111.db2.gz XKLNIGLQYDAHGZ-PVAVHDDUSA-N 1 1 346.431 0.293 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OC(C)C)cn2)C1 ZINC001047381314 764171723 /nfs/dbraw/zinc/17/17/23/764171723.db2.gz INQKXSGDJMQUGH-GJZGRUSLSA-N 1 1 334.420 0.957 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047393150 764199052 /nfs/dbraw/zinc/19/90/52/764199052.db2.gz XEZLKKUANQFBMG-ULQDDVLXSA-N 1 1 349.475 0.715 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(C)ccn23)C1 ZINC001047393831 764200385 /nfs/dbraw/zinc/20/03/85/764200385.db2.gz YKZCDAUTCOGZEZ-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)c1 ZINC001052289087 764200809 /nfs/dbraw/zinc/20/08/09/764200809.db2.gz SISJHFOUTCKGHX-ZDUSSCGKSA-N 1 1 329.404 0.749 20 30 ECEDMO Cc1nsc(NC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)c1C#N ZINC001106059702 764207106 /nfs/dbraw/zinc/20/71/06/764207106.db2.gz HJFVNVGOFIWXAA-AAEUAGOBSA-N 1 1 337.449 0.697 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052308816 764224583 /nfs/dbraw/zinc/22/45/83/764224583.db2.gz AXWNLDVEEMBKHW-QWHCGFSZSA-N 1 1 331.420 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cn(C)cn3)CC2)C1=O ZINC001052310304 764226617 /nfs/dbraw/zinc/22/66/17/764226617.db2.gz WXFHZJQLFTVCRO-GOEBONIOSA-N 1 1 345.447 0.791 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)nc2OC)C1 ZINC001047401779 764226793 /nfs/dbraw/zinc/22/67/93/764226793.db2.gz BQUYVIAAKUELSP-GJZGRUSLSA-N 1 1 334.420 0.877 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)[nH]1 ZINC001052321059 764245133 /nfs/dbraw/zinc/24/51/33/764245133.db2.gz ZHABCOVJDCLJEO-CYBMUJFWSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001047413078 764266888 /nfs/dbraw/zinc/26/68/88/764266888.db2.gz VIKMIQHISDOQIP-BXWFABGCSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001047414346 764270347 /nfs/dbraw/zinc/27/03/47/764270347.db2.gz GEOBGJPOPXTEPC-BSWAZPDLSA-N 1 1 346.431 0.117 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001047414346 764270353 /nfs/dbraw/zinc/27/03/53/764270353.db2.gz GEOBGJPOPXTEPC-BSWAZPDLSA-N 1 1 346.431 0.117 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001047414879 764271785 /nfs/dbraw/zinc/27/17/85/764271785.db2.gz XVQILZJOQLIBIW-KKUMJFAQSA-N 1 1 331.420 0.135 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001047414879 764271788 /nfs/dbraw/zinc/27/17/88/764271788.db2.gz XVQILZJOQLIBIW-KKUMJFAQSA-N 1 1 331.420 0.135 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cncnc3)CC2)C1=O ZINC001052332726 764278650 /nfs/dbraw/zinc/27/86/50/764278650.db2.gz YELGRGNJZFLIKF-HZPDHXFCSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnnn3C)CC2)C1=O ZINC001052349838 764309057 /nfs/dbraw/zinc/30/90/57/764309057.db2.gz LYNWYAGGUYAGEE-KGLIPLIRSA-N 1 1 346.435 0.186 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001047439680 764350124 /nfs/dbraw/zinc/35/01/24/764350124.db2.gz PBRRLPIWIZJFQR-STQMWFEESA-N 1 1 346.391 0.013 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001047441075 764353680 /nfs/dbraw/zinc/35/36/80/764353680.db2.gz BZHCAEIASBCUKP-HOTGVXAUSA-N 1 1 349.431 0.188 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3c[nH]cn3)[C@H]2C)C1=O ZINC001088884903 764362384 /nfs/dbraw/zinc/36/23/84/764362384.db2.gz SALRWPWMSLINDO-SNPRPXQTSA-N 1 1 331.420 0.318 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)CC2)s1 ZINC001052379757 764370760 /nfs/dbraw/zinc/37/07/60/764370760.db2.gz REZSRIIJGAULMP-LBPRGKRZSA-N 1 1 345.432 0.777 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCOC3)C1 ZINC001047453071 764392852 /nfs/dbraw/zinc/39/28/52/764392852.db2.gz CMDDZCOGGZBRGX-ROUUACIJSA-N 1 1 328.412 0.900 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCOC3)C1 ZINC001047453071 764392857 /nfs/dbraw/zinc/39/28/57/764392857.db2.gz CMDDZCOGGZBRGX-ROUUACIJSA-N 1 1 328.412 0.900 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001047455897 764398936 /nfs/dbraw/zinc/39/89/36/764398936.db2.gz GBYSYEOTJUMRLP-BQFCYCMXSA-N 1 1 328.412 0.825 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001047455897 764398940 /nfs/dbraw/zinc/39/89/40/764398940.db2.gz GBYSYEOTJUMRLP-BQFCYCMXSA-N 1 1 328.412 0.825 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)[C@@H]1C ZINC001088913754 764435339 /nfs/dbraw/zinc/43/53/39/764435339.db2.gz OBFYGZJKUQRVHV-UGUYLWEFSA-N 1 1 333.436 0.838 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001047471639 764438741 /nfs/dbraw/zinc/43/87/41/764438741.db2.gz RHGGOUTWVDNXQT-BZSNNMDCSA-N 1 1 349.475 0.014 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001047478657 764461298 /nfs/dbraw/zinc/46/12/98/764461298.db2.gz AERUQXOXZSATMX-PVAVHDDUSA-N 1 1 341.411 0.639 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001047478657 764461309 /nfs/dbraw/zinc/46/13/09/764461309.db2.gz AERUQXOXZSATMX-PVAVHDDUSA-N 1 1 341.411 0.639 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2OCCc3ccccc32)C1 ZINC001047481411 764474257 /nfs/dbraw/zinc/47/42/57/764474257.db2.gz BSCZPOPETVGLGL-BZSNNMDCSA-N 1 1 328.412 0.827 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2OCCc3ccccc32)C1 ZINC001047481411 764474261 /nfs/dbraw/zinc/47/42/61/764474261.db2.gz BSCZPOPETVGLGL-BZSNNMDCSA-N 1 1 328.412 0.827 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001052429925 764479497 /nfs/dbraw/zinc/47/94/97/764479497.db2.gz OZKGKNPDDSRFAW-CQSZACIVSA-N 1 1 329.466 0.569 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cn(C(C)C)nn3)C2)C1=O ZINC001032079391 764488825 /nfs/dbraw/zinc/48/88/25/764488825.db2.gz FCXINHHUDHPUND-HNNXBMFYSA-N 1 1 346.435 0.308 20 30 ECEDMO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047501433 764526584 /nfs/dbraw/zinc/52/65/84/764526584.db2.gz QFRUAJWIOBZENE-AJNGGQMLSA-N 1 1 329.872 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnn(C)n2)CC1 ZINC001052456332 764537468 /nfs/dbraw/zinc/53/74/68/764537468.db2.gz DYCPAPUMPCJDPL-RDJZCZTQSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnn(C)n2)CC1 ZINC001052456332 764537471 /nfs/dbraw/zinc/53/74/71/764537471.db2.gz DYCPAPUMPCJDPL-RDJZCZTQSA-N 1 1 344.463 0.383 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083780638 764545463 /nfs/dbraw/zinc/54/54/63/764545463.db2.gz FKUHBSPSGDMEDI-OLMNPRSZSA-N 1 1 342.443 0.561 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](O)C(C)C ZINC001099061163 764572053 /nfs/dbraw/zinc/57/20/53/764572053.db2.gz SRDOODDYVWEKMX-GOEBONIOSA-N 1 1 337.464 0.360 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](O)C(C)C ZINC001099061163 764572057 /nfs/dbraw/zinc/57/20/57/764572057.db2.gz SRDOODDYVWEKMX-GOEBONIOSA-N 1 1 337.464 0.360 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCOCC2)C1 ZINC001089876186 764614115 /nfs/dbraw/zinc/61/41/15/764614115.db2.gz QAMRPAYADLYPMF-XSLAGTTESA-N 1 1 345.487 0.899 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001052501487 764627337 /nfs/dbraw/zinc/62/73/37/764627337.db2.gz DOWRCVGONODMLJ-INIZCTEOSA-N 1 1 336.480 0.697 20 30 ECEDMO C[C@H](CCNc1ccc(C#N)nn1)NC(=O)CC[NH+]1CCOCC1 ZINC001106382875 768228285 /nfs/dbraw/zinc/22/82/85/768228285.db2.gz JEKIMQIWDPALIA-CYBMUJFWSA-N 1 1 332.408 0.377 20 30 ECEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCS(=O)(=O)NC ZINC001099069289 764649790 /nfs/dbraw/zinc/64/97/90/764649790.db2.gz DWSJTHCSKMTCGK-CQSZACIVSA-N 1 1 343.493 0.556 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnccc1=O ZINC001089883540 764663203 /nfs/dbraw/zinc/66/32/03/764663203.db2.gz NONQFXDYBRMXJE-YVSFHVDLSA-N 1 1 342.443 0.988 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scnc2COC)C1 ZINC001047553885 764678173 /nfs/dbraw/zinc/67/81/73/764678173.db2.gz CCHDCDIHERWKDR-STQMWFEESA-N 1 1 325.434 0.983 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scnc2COC)C1 ZINC001047553885 764678177 /nfs/dbraw/zinc/67/81/77/764678177.db2.gz CCHDCDIHERWKDR-STQMWFEESA-N 1 1 325.434 0.983 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001047565351 764706451 /nfs/dbraw/zinc/70/64/51/764706451.db2.gz JITOCHIQJIBVTD-HOTGVXAUSA-N 1 1 349.431 0.999 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC001047573336 764735870 /nfs/dbraw/zinc/73/58/70/764735870.db2.gz ZEUXXEHCTCBEQW-HOTGVXAUSA-N 1 1 329.400 0.416 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC001047573336 764735875 /nfs/dbraw/zinc/73/58/75/764735875.db2.gz ZEUXXEHCTCBEQW-HOTGVXAUSA-N 1 1 329.400 0.416 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC001015481066 764744163 /nfs/dbraw/zinc/74/41/63/764744163.db2.gz CDYLCBDBJHJDJY-RDJZCZTQSA-N 1 1 346.452 0.907 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC001015481066 764744168 /nfs/dbraw/zinc/74/41/68/764744168.db2.gz CDYLCBDBJHJDJY-RDJZCZTQSA-N 1 1 346.452 0.907 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001052553841 764747043 /nfs/dbraw/zinc/74/70/43/764747043.db2.gz LGFSCWDVMVXYKA-CJNGLKHVSA-N 1 1 328.416 0.816 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(cnn3C)c2)C1 ZINC001047576990 764749560 /nfs/dbraw/zinc/74/95/60/764749560.db2.gz WMHSSUKOUWGBHH-GJZGRUSLSA-N 1 1 329.404 0.662 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(OC)ccn3)C2)C1=O ZINC001015485431 764753004 /nfs/dbraw/zinc/75/30/04/764753004.db2.gz WXRUAHHOCQMGTI-CZUORRHYSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(OC)ccn3)C2)C1=O ZINC001015485431 764753011 /nfs/dbraw/zinc/75/30/11/764753011.db2.gz WXRUAHHOCQMGTI-CZUORRHYSA-N 1 1 344.415 0.681 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001052563398 764766048 /nfs/dbraw/zinc/76/60/48/764766048.db2.gz QNWZHGOTZDSZLX-HNNXBMFYSA-N 1 1 341.477 0.406 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001047591044 764802503 /nfs/dbraw/zinc/80/25/03/764802503.db2.gz NPKBMSKYBVANOI-HOTGVXAUSA-N 1 1 345.447 0.770 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3nc(C)nn32)C1 ZINC001047597141 764825959 /nfs/dbraw/zinc/82/59/59/764825959.db2.gz GKFBTTDWUZUYHR-KBPBESRZSA-N 1 1 330.392 0.126 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3nc(C)nn32)C1 ZINC001047597173 764826267 /nfs/dbraw/zinc/82/62/67/764826267.db2.gz HAUASRKIHUAHDS-GJZGRUSLSA-N 1 1 344.419 0.516 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)cn1 ZINC001047599566 764838459 /nfs/dbraw/zinc/83/84/59/764838459.db2.gz ZTSJBOAUERRLQL-JLSDUUJJSA-N 1 1 343.427 0.607 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001015513175 764844588 /nfs/dbraw/zinc/84/45/88/764844588.db2.gz BJGVLDKTVBVAST-CABCVRRESA-N 1 1 327.388 0.272 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](CC)OC)C[C@@H]2O)nc1 ZINC001047601644 764844658 /nfs/dbraw/zinc/84/46/58/764844658.db2.gz DWZZEALYZRGRJU-PVAVHDDUSA-N 1 1 331.416 0.605 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001015515494 764854753 /nfs/dbraw/zinc/85/47/53/764854753.db2.gz WQPQCNGGWHUVQC-GJZGRUSLSA-N 1 1 327.388 0.272 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC001052637262 764908164 /nfs/dbraw/zinc/90/81/64/764908164.db2.gz IGRMVJYNJGWOLX-OAHLLOKOSA-N 1 1 339.403 0.866 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(N)=O)c2)C1 ZINC001047624300 764912682 /nfs/dbraw/zinc/91/26/82/764912682.db2.gz KJWDDPHYHSVKIU-GJZGRUSLSA-N 1 1 330.388 0.318 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nc3ncccn3n2)C1 ZINC001047627751 764924923 /nfs/dbraw/zinc/92/49/23/764924923.db2.gz VRBYQJMHYGNAJJ-KBPBESRZSA-N 1 1 344.419 0.137 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052671726 764973331 /nfs/dbraw/zinc/97/33/31/764973331.db2.gz HGEXIXQISKKEEY-CQSZACIVSA-N 1 1 330.388 0.523 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001017659265 768259930 /nfs/dbraw/zinc/25/99/30/768259930.db2.gz TYQGBVMLGPZSQD-ZBFHGGJFSA-N 1 1 348.447 0.530 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001052759566 765074779 /nfs/dbraw/zinc/07/47/79/765074779.db2.gz VWWVMECRNFLBBI-OAHLLOKOSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001052759566 765074788 /nfs/dbraw/zinc/07/47/88/765074788.db2.gz VWWVMECRNFLBBI-OAHLLOKOSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001052760466 765076243 /nfs/dbraw/zinc/07/62/43/765076243.db2.gz GNXCUANTNWCTTJ-CQSZACIVSA-N 1 1 344.419 0.438 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001052762036 765077404 /nfs/dbraw/zinc/07/74/04/765077404.db2.gz SVLIVXJZSJKTRS-CQSZACIVSA-N 1 1 348.447 0.635 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)CC2)nn1 ZINC001052774693 765096780 /nfs/dbraw/zinc/09/67/80/765096780.db2.gz HBCADIPBOTYWPE-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cccnc3C)C2)C1=O ZINC001015631383 765104659 /nfs/dbraw/zinc/10/46/59/765104659.db2.gz KCVWIDIQHJECDG-GDBMZVCRSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cccnc3C)C2)C1=O ZINC001015631383 765104660 /nfs/dbraw/zinc/10/46/60/765104660.db2.gz KCVWIDIQHJECDG-GDBMZVCRSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H](CC)C(N)=O)CC2)nn1 ZINC001052778385 765104795 /nfs/dbraw/zinc/10/47/95/765104795.db2.gz JNZUSUQQVDPOQE-UKRRQHHQSA-N 1 1 348.451 0.702 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001052799884 765143022 /nfs/dbraw/zinc/14/30/22/765143022.db2.gz YJKHCRZGQZPFMQ-LLVKDONJSA-N 1 1 328.800 0.261 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](O)CN3C(=O)CCC3=O)C2)C1 ZINC001015671273 765145284 /nfs/dbraw/zinc/14/52/84/765145284.db2.gz WYQQUXAOQYIOPF-ZIAGYGMSSA-N 1 1 349.431 0.043 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnon3)CC2)C1=O ZINC001052807815 765159982 /nfs/dbraw/zinc/15/99/82/765159982.db2.gz XNIWXTFVSURKTF-TZMCWYRMSA-N 1 1 333.392 0.441 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC1 ZINC001052822327 765183536 /nfs/dbraw/zinc/18/35/36/765183536.db2.gz GUXKMBQLMKEMIM-INIZCTEOSA-N 1 1 330.432 0.854 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001052824951 765185809 /nfs/dbraw/zinc/18/58/09/765185809.db2.gz SVFMKIHXEGIDKQ-FVQBIDKESA-N 1 1 343.431 0.472 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001052824951 765185812 /nfs/dbraw/zinc/18/58/12/765185812.db2.gz SVFMKIHXEGIDKQ-FVQBIDKESA-N 1 1 343.431 0.472 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C#N ZINC001015712085 765213392 /nfs/dbraw/zinc/21/33/92/765213392.db2.gz XAVRLKVRXINBGS-ZNMIVQPWSA-N 1 1 342.399 0.379 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C#N ZINC001015712085 765213398 /nfs/dbraw/zinc/21/33/98/765213398.db2.gz XAVRLKVRXINBGS-ZNMIVQPWSA-N 1 1 342.399 0.379 20 30 ECEDMO C=CCN1CC[C@H](N2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001015713349 765217864 /nfs/dbraw/zinc/21/78/64/765217864.db2.gz NUVKLRNMQLUGOI-CVEARBPZSA-N 1 1 348.491 0.696 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC001052848974 765222300 /nfs/dbraw/zinc/22/23/00/765222300.db2.gz JIMPNYCJUYJBQT-CABCVRRESA-N 1 1 331.420 0.847 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCS(C)(=O)=O)CC2)nc1 ZINC001052876429 765277932 /nfs/dbraw/zinc/27/79/32/765277932.db2.gz VXLLTHCEOPPRQH-OAHLLOKOSA-N 1 1 349.456 0.692 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCS(C)(=O)=O)CC2)nc1 ZINC001052876429 765277937 /nfs/dbraw/zinc/27/79/37/765277937.db2.gz VXLLTHCEOPPRQH-OAHLLOKOSA-N 1 1 349.456 0.692 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)CC2)nc1 ZINC001052876788 765280869 /nfs/dbraw/zinc/28/08/69/765280869.db2.gz ZHEQRLHIZSBDTH-HNNXBMFYSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)CC2)nc1 ZINC001052876788 765280873 /nfs/dbraw/zinc/28/08/73/765280873.db2.gz ZHEQRLHIZSBDTH-HNNXBMFYSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)CC2)cn1 ZINC001052879186 765288208 /nfs/dbraw/zinc/28/82/08/765288208.db2.gz QSEKQMQCMPNEML-HOTGVXAUSA-N 1 1 326.400 0.536 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001017675218 768281689 /nfs/dbraw/zinc/28/16/89/768281689.db2.gz FYWXGMYONITDFS-MCIONIFRSA-N 1 1 331.420 0.797 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc4ccccn4c3=O)CCC[C@H]12 ZINC000992053627 765301444 /nfs/dbraw/zinc/30/14/44/765301444.db2.gz WPGVSWQDZPOVPC-KSSFIOAISA-N 1 1 339.399 0.242 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001017676191 768282371 /nfs/dbraw/zinc/28/23/71/768282371.db2.gz MMWDQYDIDJOYKP-MELADBBJSA-N 1 1 329.404 0.245 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)cc1 ZINC001015809220 765367432 /nfs/dbraw/zinc/36/74/32/765367432.db2.gz KMKBJSXDCMHICY-HOCLYGCPSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)cc1 ZINC001015809220 765367437 /nfs/dbraw/zinc/36/74/37/765367437.db2.gz KMKBJSXDCMHICY-HOCLYGCPSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2nc3ncccn3n2)CC1 ZINC001052932332 765373363 /nfs/dbraw/zinc/37/33/63/765373363.db2.gz MEXWSCNGNZURMM-CQSZACIVSA-N 1 1 326.404 0.661 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C2)nn1 ZINC001015821029 765383333 /nfs/dbraw/zinc/38/33/33/765383333.db2.gz PUQVBESCVAYQRM-CQSZACIVSA-N 1 1 329.408 0.555 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cnn(C)n3)C2)cc1C#N ZINC001015846931 765434361 /nfs/dbraw/zinc/43/43/61/765434361.db2.gz VFNCSZZVIWKKFC-CQSZACIVSA-N 1 1 340.387 0.700 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cnn(C)n3)C2)cc1C#N ZINC001015846931 765434368 /nfs/dbraw/zinc/43/43/68/765434368.db2.gz VFNCSZZVIWKKFC-CQSZACIVSA-N 1 1 340.387 0.700 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001077490075 765478768 /nfs/dbraw/zinc/47/87/68/765478768.db2.gz QNRKXLPLWYVHRW-IAGOWNOFSA-N 1 1 327.384 0.975 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001077490075 765478774 /nfs/dbraw/zinc/47/87/74/765478774.db2.gz QNRKXLPLWYVHRW-IAGOWNOFSA-N 1 1 327.384 0.975 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC001053007929 765480516 /nfs/dbraw/zinc/48/05/16/765480516.db2.gz OJLDLMKLQUKPHD-CVEARBPZSA-N 1 1 330.436 0.647 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001053025487 765498471 /nfs/dbraw/zinc/49/84/71/765498471.db2.gz BZHBSZRMNJEXBK-CABCVRRESA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001053025487 765498476 /nfs/dbraw/zinc/49/84/76/765498476.db2.gz BZHBSZRMNJEXBK-CABCVRRESA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC001053031430 765504201 /nfs/dbraw/zinc/50/42/01/765504201.db2.gz FWYAFCAQAQKWRB-JKSUJKDBSA-N 1 1 342.443 0.978 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cnnn2)C1 ZINC001053066789 765541228 /nfs/dbraw/zinc/54/12/28/765541228.db2.gz ODISMJNWHYLXPB-CVEARBPZSA-N 1 1 330.436 0.790 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000992121648 765558689 /nfs/dbraw/zinc/55/86/89/765558689.db2.gz WQCOLMMPLDGPFJ-GULBITTBSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001053091044 765565958 /nfs/dbraw/zinc/56/59/58/765565958.db2.gz KKGSYXOYQDKVDA-JKSUJKDBSA-N 1 1 345.447 0.308 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)cc1 ZINC001077493589 765584960 /nfs/dbraw/zinc/58/49/60/765584960.db2.gz BRPPRLGAXWFQCY-CGTJXYLNSA-N 1 1 328.412 0.869 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992162349 765720979 /nfs/dbraw/zinc/72/09/79/765720979.db2.gz RTAWWWBVSQDGEH-CRAIPNDOSA-N 1 1 342.399 0.665 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992162349 765720988 /nfs/dbraw/zinc/72/09/88/765720988.db2.gz RTAWWWBVSQDGEH-CRAIPNDOSA-N 1 1 342.399 0.665 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001016014067 765721038 /nfs/dbraw/zinc/72/10/38/765721038.db2.gz SSNDICOLBVDFJJ-ZFWWWQNUSA-N 1 1 342.399 0.176 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001016014067 765721044 /nfs/dbraw/zinc/72/10/44/765721044.db2.gz SSNDICOLBVDFJJ-ZFWWWQNUSA-N 1 1 342.399 0.176 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)ccc1F ZINC001016026721 765729827 /nfs/dbraw/zinc/72/98/27/765729827.db2.gz IGGXRFHERPPPNP-ZFWWWQNUSA-N 1 1 330.363 0.666 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)ccc1F ZINC001016026721 765729830 /nfs/dbraw/zinc/72/98/30/765729830.db2.gz IGGXRFHERPPPNP-ZFWWWQNUSA-N 1 1 330.363 0.666 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016114742 765799737 /nfs/dbraw/zinc/79/97/37/765799737.db2.gz UFWXRIXXNHEPIG-QGZVFWFLSA-N 1 1 325.412 0.633 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016114742 765799742 /nfs/dbraw/zinc/79/97/42/765799742.db2.gz UFWXRIXXNHEPIG-QGZVFWFLSA-N 1 1 325.412 0.633 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106108162 765839774 /nfs/dbraw/zinc/83/97/74/765839774.db2.gz GJYXZCACZPBZCE-YPMHNXCESA-N 1 1 335.383 0.466 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)CCO2 ZINC001053255489 765851401 /nfs/dbraw/zinc/85/14/01/765851401.db2.gz MOYATFWHIYNHTH-DLBZAZTESA-N 1 1 331.460 0.797 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCOC2(C[NH+](CC3CCC3)C2)C1 ZINC001053291216 765920080 /nfs/dbraw/zinc/92/00/80/765920080.db2.gz DKDXTGNXZLDYPR-KRWDZBQOSA-N 1 1 331.460 0.797 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3c(C)n[nH]c3C)C2)C1=O ZINC001016239709 765959913 /nfs/dbraw/zinc/95/99/13/765959913.db2.gz VKZBRBRPMJOXTI-GDBMZVCRSA-N 1 1 345.447 0.546 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3c(C)n[nH]c3C)C2)C1=O ZINC001016239709 765959923 /nfs/dbraw/zinc/95/99/23/765959923.db2.gz VKZBRBRPMJOXTI-GDBMZVCRSA-N 1 1 345.447 0.546 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N[C@@H](C)C1)CCO2 ZINC001053321226 765967352 /nfs/dbraw/zinc/96/73/52/765967352.db2.gz BHHDUNKSNJPJDR-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c[nH]1 ZINC001016272286 766014544 /nfs/dbraw/zinc/01/45/44/766014544.db2.gz LUZPCCVUXRPJFL-MRXNPFEDSA-N 1 1 336.395 0.969 20 30 ECEDMO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c[nH]1 ZINC001016272286 766014551 /nfs/dbraw/zinc/01/45/51/766014551.db2.gz LUZPCCVUXRPJFL-MRXNPFEDSA-N 1 1 336.395 0.969 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)Cc1cn(CC)nn1)CCO2 ZINC001053353732 766018878 /nfs/dbraw/zinc/01/88/78/766018878.db2.gz YPCDUKDOWKMAGQ-UHFFFAOYSA-N 1 1 333.436 0.720 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)c1cc(C[NH+]3CCCC3)on1)CCO2 ZINC001053426982 766114022 /nfs/dbraw/zinc/11/40/22/766114022.db2.gz XZPRYXKHXUBLLX-UHFFFAOYSA-N 1 1 346.431 0.983 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCC[C@H]2C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC001089224777 766134806 /nfs/dbraw/zinc/13/48/06/766134806.db2.gz SBRORPJGAYYLLL-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)cc1 ZINC000992294185 766175406 /nfs/dbraw/zinc/17/54/06/766175406.db2.gz QLLMTLWBDFQYCZ-VQIMIIECSA-N 1 1 341.411 0.911 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)cc1 ZINC000992294185 766175409 /nfs/dbraw/zinc/17/54/09/766175409.db2.gz QLLMTLWBDFQYCZ-VQIMIIECSA-N 1 1 341.411 0.911 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CCO2 ZINC001053467586 766181729 /nfs/dbraw/zinc/18/17/29/766181729.db2.gz LNPAZGGYAPZBTA-IAGOWNOFSA-N 1 1 331.460 0.940 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ocnc2C)C1 ZINC001016367193 766192333 /nfs/dbraw/zinc/19/23/33/766192333.db2.gz HMEBHLQFQAAPKP-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ocnc2C)C1 ZINC001016367193 766192336 /nfs/dbraw/zinc/19/23/36/766192336.db2.gz HMEBHLQFQAAPKP-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(CC)n(C)n3)C2)C1=O ZINC001016416611 766259110 /nfs/dbraw/zinc/25/91/10/766259110.db2.gz OIUNZHJVKGFWCD-BBRMVZONSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(CC)n(C)n3)C2)C1=O ZINC001016416611 766259111 /nfs/dbraw/zinc/25/91/11/766259111.db2.gz OIUNZHJVKGFWCD-BBRMVZONSA-N 1 1 345.447 0.574 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cncnc2)C1 ZINC001016427616 766279822 /nfs/dbraw/zinc/27/98/22/766279822.db2.gz ZJSNFDSBRSRJKS-GPANFISMSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cncnc2)C1 ZINC001016427616 766279830 /nfs/dbraw/zinc/27/98/30/766279830.db2.gz ZJSNFDSBRSRJKS-GPANFISMSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001017782814 768366007 /nfs/dbraw/zinc/36/60/07/768366007.db2.gz NDGHTBZOVLFGSO-BETUJISGSA-N 1 1 340.391 0.006 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001017782814 768366015 /nfs/dbraw/zinc/36/60/15/768366015.db2.gz NDGHTBZOVLFGSO-BETUJISGSA-N 1 1 340.391 0.006 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)c1 ZINC001016433089 766290790 /nfs/dbraw/zinc/29/07/90/766290790.db2.gz XZYJPGIEJRODQL-CABCVRRESA-N 1 1 340.383 0.302 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cccnn2)C1 ZINC000992335062 766309039 /nfs/dbraw/zinc/30/90/39/766309039.db2.gz CGSURCCVUYFEJF-XUJLQICISA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cccnn2)C1 ZINC000992335062 766309044 /nfs/dbraw/zinc/30/90/44/766309044.db2.gz CGSURCCVUYFEJF-XUJLQICISA-N 1 1 341.415 0.199 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)c(C)nn(C)c1=O ZINC001017784920 768366969 /nfs/dbraw/zinc/36/69/69/768366969.db2.gz CDUHZGHVOJEUJM-GASCZTMLSA-N 1 1 328.416 0.709 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248554 766347729 /nfs/dbraw/zinc/34/77/29/766347729.db2.gz IHYQHAILKRWVNH-ARFHVFGLSA-N 1 1 348.447 0.109 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C3CCC3)nn1)O2 ZINC001053600300 766407559 /nfs/dbraw/zinc/40/75/59/766407559.db2.gz FKMBPVZUEOIFDV-OAHLLOKOSA-N 1 1 343.431 0.990 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCCF)C2)O1 ZINC001053610212 766428193 /nfs/dbraw/zinc/42/81/93/766428193.db2.gz JPJZIHUBHPXCKY-CVEARBPZSA-N 1 1 337.439 0.793 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001016526541 766435858 /nfs/dbraw/zinc/43/58/58/766435858.db2.gz NWXIZDIGDGQFSR-OOHWJJMZSA-N 1 1 340.427 0.734 20 30 ECEDMO C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)O2 ZINC001053617739 766443201 /nfs/dbraw/zinc/44/32/01/766443201.db2.gz GDENQPCPKXNQJH-OWCLPIDISA-N 1 1 337.464 0.631 20 30 ECEDMO C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)O2 ZINC001053617739 766443205 /nfs/dbraw/zinc/44/32/05/766443205.db2.gz GDENQPCPKXNQJH-OWCLPIDISA-N 1 1 337.464 0.631 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3cncn3C1)O2 ZINC001053618930 766447245 /nfs/dbraw/zinc/44/72/45/766447245.db2.gz GIPQNUZQEQMIRQ-RDJZCZTQSA-N 1 1 342.443 0.818 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)O2 ZINC001053619220 766448028 /nfs/dbraw/zinc/44/80/28/766448028.db2.gz NMKMUYYGLBJWJM-HUUCEWRRSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(CCF)c1)O2 ZINC001053620988 766457265 /nfs/dbraw/zinc/45/72/65/766457265.db2.gz YTPXDWUSKSMYCT-OAHLLOKOSA-N 1 1 334.395 0.839 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)nc1 ZINC001045880483 766462452 /nfs/dbraw/zinc/46/24/52/766462452.db2.gz YWPHZEKVZZRHNK-VYDXJSESSA-N 1 1 338.411 0.630 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992392493 766464500 /nfs/dbraw/zinc/46/45/00/766464500.db2.gz BGCYBCLXQSPBKS-DYVFJYSZSA-N 1 1 334.420 0.570 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@@H](O)C1 ZINC001083694646 766507551 /nfs/dbraw/zinc/50/75/51/766507551.db2.gz KENYQPDFRGUDQD-CABCVRRESA-N 1 1 348.451 0.460 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CCC3(CN(CC#N)C3)O1)C2 ZINC001053658059 766527369 /nfs/dbraw/zinc/52/73/69/766527369.db2.gz PTMCMDYKWWPVQA-HOCLYGCPSA-N 1 1 343.431 0.627 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001045973160 766541586 /nfs/dbraw/zinc/54/15/86/766541586.db2.gz HZFPYKYLLZBYAR-LJQANCHMSA-N 1 1 345.443 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)nc1 ZINC000992427718 766547478 /nfs/dbraw/zinc/54/74/78/766547478.db2.gz ZQAOWYYJKVSXBR-QAPCUYQASA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)nc1 ZINC000992427718 766547481 /nfs/dbraw/zinc/54/74/81/766547481.db2.gz ZQAOWYYJKVSXBR-QAPCUYQASA-N 1 1 326.400 0.536 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc4n(c3=O)CCCC4)CCC[C@@H]12 ZINC000992428819 766549802 /nfs/dbraw/zinc/54/98/02/766549802.db2.gz NEQORZNYZRATJY-KDOFPFPSSA-N 1 1 345.447 0.680 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@H]12 ZINC000992428776 766549943 /nfs/dbraw/zinc/54/99/43/766549943.db2.gz LVYMJAUIZDYHCI-GUYCJALGSA-N 1 1 342.403 0.721 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1C(=O)CCC1=O)C2 ZINC001045983405 766554971 /nfs/dbraw/zinc/55/49/71/766554971.db2.gz MKIRZWGJUXUTPB-IBGZPJMESA-N 1 1 345.443 0.863 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001045983285 766555062 /nfs/dbraw/zinc/55/50/62/766555062.db2.gz LIIBQPKVKGXBEW-GOSISDBHSA-N 1 1 348.447 0.819 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(COC)on1)O2 ZINC001053674612 766556015 /nfs/dbraw/zinc/55/60/15/766556015.db2.gz QLNXPOAMOFCWPB-ZDUSSCGKSA-N 1 1 333.388 0.808 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc3ncccn3n1)O2 ZINC001053677822 766562572 /nfs/dbraw/zinc/56/25/72/766562572.db2.gz KAUVVIQJOANPOJ-ZDUSSCGKSA-N 1 1 340.387 0.111 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001045988596 766562831 /nfs/dbraw/zinc/56/28/31/766562831.db2.gz RSANGDLAEPDWFM-DNVCBOLYSA-N 1 1 345.443 0.767 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](N3CCN(C(=O)C4CC4)CC3)C2)C1=O ZINC001045991682 766571564 /nfs/dbraw/zinc/57/15/64/766571564.db2.gz CLVYANBULSKEBM-SJORKVTESA-N 1 1 346.475 0.402 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCCN(C)C1=O)O2 ZINC001053686224 766586923 /nfs/dbraw/zinc/58/69/23/766586923.db2.gz KBHSXWDQHFEZGI-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC001046000251 766599441 /nfs/dbraw/zinc/59/94/41/766599441.db2.gz OGCOXJVFBJIRKT-AWEZNQCLSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)nn(C)c1F)O2 ZINC001053693435 766601426 /nfs/dbraw/zinc/60/14/26/766601426.db2.gz CYEYTESJWOOMNI-CYBMUJFWSA-N 1 1 334.395 0.854 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212258501 766608469 /nfs/dbraw/zinc/60/84/69/766608469.db2.gz UUCRGTOBALJNAA-ZTFGCOKTSA-N 1 1 341.411 0.912 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212258501 766608473 /nfs/dbraw/zinc/60/84/73/766608473.db2.gz UUCRGTOBALJNAA-ZTFGCOKTSA-N 1 1 341.411 0.912 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCN(C(C)=O)CC1)O2 ZINC001053697101 766610804 /nfs/dbraw/zinc/61/08/04/766610804.db2.gz VRNGOLJNBSYGDB-QGZVFWFLSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccnn3CCC)C2)C1=O ZINC001031702065 766611797 /nfs/dbraw/zinc/61/17/97/766611797.db2.gz NWZUNAXTRBKJAB-INIZCTEOSA-N 1 1 345.447 0.742 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)O2 ZINC001053698342 766613153 /nfs/dbraw/zinc/61/31/53/766613153.db2.gz JLWFINOCAAKBPD-ZDUSSCGKSA-N 1 1 330.388 0.100 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)n[nH]3)CC2)C1 ZINC001046006369 766615008 /nfs/dbraw/zinc/61/50/08/766615008.db2.gz KODQEQQPWBTMOH-INIZCTEOSA-N 1 1 329.448 0.828 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)[nH]n3)CC2)C1 ZINC001046006369 766615013 /nfs/dbraw/zinc/61/50/13/766615013.db2.gz KODQEQQPWBTMOH-INIZCTEOSA-N 1 1 329.448 0.828 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)[nH]n3)CC2)C1 ZINC001046006369 766615022 /nfs/dbraw/zinc/61/50/22/766615022.db2.gz KODQEQQPWBTMOH-INIZCTEOSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1OC ZINC001212260921 766630541 /nfs/dbraw/zinc/63/05/41/766630541.db2.gz OLBWQHZMXVLWPE-HUUCEWRRSA-N 1 1 337.445 0.807 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1OC ZINC001212260921 766630544 /nfs/dbraw/zinc/63/05/44/766630544.db2.gz OLBWQHZMXVLWPE-HUUCEWRRSA-N 1 1 337.445 0.807 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)nn3C)CC2)C1 ZINC001046011227 766635505 /nfs/dbraw/zinc/63/55/05/766635505.db2.gz BBDCBQJIRKLNOJ-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nnn(C)c3C)CC2)C1 ZINC001046015921 766649845 /nfs/dbraw/zinc/64/98/45/766649845.db2.gz YLYUCFOYTZNOSI-OAHLLOKOSA-N 1 1 332.452 0.532 20 30 ECEDMO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046017423 766653462 /nfs/dbraw/zinc/65/34/62/766653462.db2.gz MITQDMNVCSHZHY-OAHLLOKOSA-N 1 1 331.420 0.365 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046017559 766653620 /nfs/dbraw/zinc/65/36/20/766653620.db2.gz NZBJERSJVKUKKV-HOCLYGCPSA-N 1 1 345.447 0.753 20 30 ECEDMO N#Cc1cc(C(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)c[nH]1 ZINC001046021401 766666321 /nfs/dbraw/zinc/66/63/21/766666321.db2.gz FRNAFJOBJWVHKP-INIZCTEOSA-N 1 1 331.420 0.101 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001046024526 766676435 /nfs/dbraw/zinc/67/64/35/766676435.db2.gz MXTWRMFCROOOIG-GJZGRUSLSA-N 1 1 336.436 0.280 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC001016655059 766676684 /nfs/dbraw/zinc/67/66/84/766676684.db2.gz LTBWRLJLPPDVEL-CABCVRRESA-N 1 1 338.473 0.948 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001046025685 766679939 /nfs/dbraw/zinc/67/99/39/766679939.db2.gz JKSUEDIYTQGYSV-OAHLLOKOSA-N 1 1 332.452 0.613 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@@H](OC)C2CCC2)C[C@H]1OC ZINC001212262361 766684577 /nfs/dbraw/zinc/68/45/77/766684577.db2.gz MKJMNOXJLIVTRR-BRWVUGGUSA-N 1 1 338.448 0.657 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 ZINC001046027833 766688566 /nfs/dbraw/zinc/68/85/66/766688566.db2.gz SDHVTUIJRHBTDW-SJORKVTESA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnnn3CC)CC2)C1 ZINC001046029299 766694412 /nfs/dbraw/zinc/69/44/12/766694412.db2.gz OSIJWCDXOYHTJZ-HNNXBMFYSA-N 1 1 332.452 0.706 20 30 ECEDMO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089625228 766696028 /nfs/dbraw/zinc/69/60/28/766696028.db2.gz PMPPYLLDQZZHCF-OLZOCXBDSA-N 1 1 332.408 0.010 20 30 ECEDMO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089625228 766696031 /nfs/dbraw/zinc/69/60/31/766696031.db2.gz PMPPYLLDQZZHCF-OLZOCXBDSA-N 1 1 332.408 0.010 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cnn(C)c2)C1 ZINC001016669767 766697512 /nfs/dbraw/zinc/69/75/12/766697512.db2.gz AYJVUJGSPKVNJS-GPANFISMSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cnn(C)c2)C1 ZINC001016669767 766697517 /nfs/dbraw/zinc/69/75/17/766697517.db2.gz AYJVUJGSPKVNJS-GPANFISMSA-N 1 1 343.431 0.237 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nnn(C(C)(C)C)n3)CC2)C1 ZINC001046030889 766699742 /nfs/dbraw/zinc/69/97/42/766699742.db2.gz DZYODCFVGMQZKV-CQSZACIVSA-N 1 1 347.467 0.446 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)c3ccnn3C)CC2)C1 ZINC001046031141 766699884 /nfs/dbraw/zinc/69/98/84/766699884.db2.gz KBCFTBCDIIPJSH-SJORKVTESA-N 1 1 343.475 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnoc2C(C)C)C1 ZINC000994752330 766702442 /nfs/dbraw/zinc/70/24/42/766702442.db2.gz RINILJHXPSCBMF-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnoc2C(C)C)C1 ZINC000994752330 766702446 /nfs/dbraw/zinc/70/24/46/766702446.db2.gz RINILJHXPSCBMF-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC000994752591 766703564 /nfs/dbraw/zinc/70/35/64/766703564.db2.gz SUCPKFGZDFHYBH-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC000994752591 766703567 /nfs/dbraw/zinc/70/35/67/766703567.db2.gz SUCPKFGZDFHYBH-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4n[nH]nc4n3)CC2)C1 ZINC001046033538 766709605 /nfs/dbraw/zinc/70/96/05/766709605.db2.gz HBIRSZPGBRVCPE-CYBMUJFWSA-N 1 1 341.419 0.371 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc4n[nH]nc4n3)CC2)C1 ZINC001046033539 766709625 /nfs/dbraw/zinc/70/96/25/766709625.db2.gz HBIRSZPGBRVCPE-ZDUSSCGKSA-N 1 1 341.419 0.371 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C4CC4)cnn3C)CC2)C1 ZINC001046034756 766715632 /nfs/dbraw/zinc/71/56/32/766715632.db2.gz ZXXGHQDLIRJOTR-INIZCTEOSA-N 1 1 341.459 0.763 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc4[nH]cnc43)CC2)C1 ZINC001046034884 766715749 /nfs/dbraw/zinc/71/57/49/766715749.db2.gz YASUWPSBHQQPNJ-CQSZACIVSA-N 1 1 338.415 0.423 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc4[nH]cnc43)CC2)C1 ZINC001046034932 766716832 /nfs/dbraw/zinc/71/68/32/766716832.db2.gz ZFCPMDLGIXVEKE-CQSZACIVSA-N 1 1 340.431 0.976 20 30 ECEDMO CNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001089627173 766719057 /nfs/dbraw/zinc/71/90/57/766719057.db2.gz VEHAYMNAIUIXSZ-AWEZNQCLSA-N 1 1 331.420 0.853 20 30 ECEDMO CNC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001089627173 766719064 /nfs/dbraw/zinc/71/90/64/766719064.db2.gz VEHAYMNAIUIXSZ-AWEZNQCLSA-N 1 1 331.420 0.853 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046035203 766719572 /nfs/dbraw/zinc/71/95/72/766719572.db2.gz GVPINMQZVZOOQH-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4c3CCC4)CC2)C1 ZINC001046035541 766721562 /nfs/dbraw/zinc/72/15/62/766721562.db2.gz ONGLPQCGUIOXKQ-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3snnc3C3CC3)CC2)C1 ZINC001046036795 766729807 /nfs/dbraw/zinc/72/98/07/766729807.db2.gz GFNKPNMSGMYBBW-CQSZACIVSA-N 1 1 345.472 0.881 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046039133 766740565 /nfs/dbraw/zinc/74/05/65/766740565.db2.gz SNBWJQYRFVPTLE-MAUKXSAKSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)C1 ZINC001046039295 766742331 /nfs/dbraw/zinc/74/23/31/766742331.db2.gz OYQVUEIRQXRYBP-SJORKVTESA-N 1 1 341.459 0.297 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)C1 ZINC001046039292 766742465 /nfs/dbraw/zinc/74/24/65/766742465.db2.gz OYQVUEIRQXRYBP-IRXDYDNUSA-N 1 1 341.459 0.297 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046040592 766748101 /nfs/dbraw/zinc/74/81/01/766748101.db2.gz FPRUFTRHFFCXIY-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3snnc3CC)CC2)C1 ZINC001046040892 766749500 /nfs/dbraw/zinc/74/95/00/766749500.db2.gz AABCXBNFSKIBJH-AWEZNQCLSA-N 1 1 347.488 0.956 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3CCC)CC2)C1 ZINC001046042594 766756281 /nfs/dbraw/zinc/75/62/81/766756281.db2.gz JNIUBTPGEVJHHK-INIZCTEOSA-N 1 1 343.475 0.838 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2C)C1 ZINC001041999255 782577566 /nfs/dbraw/zinc/57/75/66/782577566.db2.gz VCWLZOXQNZSQHA-YUELXQCFSA-N 1 1 344.419 0.010 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046042761 766757734 /nfs/dbraw/zinc/75/77/34/766757734.db2.gz MNSMLGYPAPAHIZ-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2C)C1 ZINC001041999255 782577572 /nfs/dbraw/zinc/57/75/72/782577572.db2.gz VCWLZOXQNZSQHA-YUELXQCFSA-N 1 1 344.419 0.010 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC3(C[C@H]3NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001016704652 766760346 /nfs/dbraw/zinc/76/03/46/766760346.db2.gz NMTVGGDDQCZRSS-UONOGXRCSA-N 1 1 344.419 0.176 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)n(C)n3)CC2)C1 ZINC001046043647 766761589 /nfs/dbraw/zinc/76/15/89/766761589.db2.gz CBUFTRDKUPWHHH-HNNXBMFYSA-N 1 1 345.447 0.284 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046043637 766761907 /nfs/dbraw/zinc/76/19/07/766761907.db2.gz CADQIEBMKUPQMD-CVEARBPZSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)C1 ZINC001046043495 766762017 /nfs/dbraw/zinc/76/20/17/766762017.db2.gz HFPXJUKMTGXEES-AWEZNQCLSA-N 1 1 346.431 0.402 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc4nccn4c3)CC2)C1 ZINC001046043729 766764021 /nfs/dbraw/zinc/76/40/21/766764021.db2.gz LFDMOJOLLCCUQL-INIZCTEOSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(C(N)=O)cn3)CCC[C@@H]12 ZINC000992520354 766764224 /nfs/dbraw/zinc/76/42/24/766764224.db2.gz GYEZCGAZSMEMBI-CRAIPNDOSA-N 1 1 326.400 0.931 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC001046044238 766766197 /nfs/dbraw/zinc/76/61/97/766766197.db2.gz RIEUPUPDADFNHC-KRWDZBQOSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001046046991 766775624 /nfs/dbraw/zinc/77/56/24/766775624.db2.gz KNTJHTVYQUJVRL-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001046047007 766776301 /nfs/dbraw/zinc/77/63/01/766776301.db2.gz LABOTJFGDSWREF-SJORKVTESA-N 1 1 348.491 0.697 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](OC)c3cnn(C)c3)CC2)C1 ZINC001046047218 766777271 /nfs/dbraw/zinc/77/72/71/766777271.db2.gz MVPKIKQTBCRYAM-IAGOWNOFSA-N 1 1 347.463 0.512 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001046047416 766777766 /nfs/dbraw/zinc/77/77/66/766777766.db2.gz OWFSMPGOCHEISX-IRXDYDNUSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)C1 ZINC001046048827 766781841 /nfs/dbraw/zinc/78/18/41/766781841.db2.gz DYGSAIDNDWCZSV-MRXNPFEDSA-N 1 1 342.443 0.869 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)c3n[nH]nc3C)CC2)C1 ZINC001046051181 766791047 /nfs/dbraw/zinc/79/10/47/766791047.db2.gz XXXVQVNYWYLREA-ZDUSSCGKSA-N 1 1 338.843 0.698 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3n[nH]nc3C)CC2)C1 ZINC001046051181 766791051 /nfs/dbraw/zinc/79/10/51/766791051.db2.gz XXXVQVNYWYLREA-ZDUSSCGKSA-N 1 1 338.843 0.698 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)cnn3C)CC2)C1 ZINC001046052780 766794514 /nfs/dbraw/zinc/79/45/14/766794514.db2.gz JPVCGLBTSKYNCX-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC3=CCOCC3)CC2)C1 ZINC001046057872 766816650 /nfs/dbraw/zinc/81/66/50/766816650.db2.gz ZHPZXNYXVXAWQO-GOSISDBHSA-N 1 1 331.460 0.965 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2COC3(C[NH+](CC[C@@H]4CCOC4)C3)C2)c[nH]1 ZINC001053780532 766820373 /nfs/dbraw/zinc/82/03/73/766820373.db2.gz MUTQRXLGANURFX-CJNGLKHVSA-N 1 1 344.415 0.886 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC001046060157 766825239 /nfs/dbraw/zinc/82/52/39/766825239.db2.gz WLFXGXMTTCHJGD-CQSZACIVSA-N 1 1 332.404 0.397 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nccn4ccnc34)CC2)C1 ZINC001046062224 766832913 /nfs/dbraw/zinc/83/29/13/766832913.db2.gz CXQCXRVYGPMIPX-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)c1 ZINC001046062859 766835467 /nfs/dbraw/zinc/83/54/67/766835467.db2.gz WGDVXZAFQGPIIV-GOSISDBHSA-N 1 1 342.443 0.277 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046065885 766851306 /nfs/dbraw/zinc/85/13/06/766851306.db2.gz FLUUBTLUUXTNRE-MRXNPFEDSA-N 1 1 344.463 0.749 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC001046066209 766853623 /nfs/dbraw/zinc/85/36/23/766853623.db2.gz ABXZIQBTCMIASU-MLHJIOFPSA-N 1 1 331.460 0.796 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C)nc3OC)CC2)C1 ZINC001046068466 766862713 /nfs/dbraw/zinc/86/27/13/766862713.db2.gz LYRNCFLRANIXRL-MRXNPFEDSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC001046068448 766863584 /nfs/dbraw/zinc/86/35/84/766863584.db2.gz LLFBATKBKXBFDN-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3nccc3C)CC2)C1 ZINC001046069033 766866113 /nfs/dbraw/zinc/86/61/13/766866113.db2.gz AWCVDQHOFNAJHG-KRWDZBQOSA-N 1 1 331.464 0.986 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC001046073060 766883553 /nfs/dbraw/zinc/88/35/53/766883553.db2.gz VUELCWBDBJZQLF-AWEZNQCLSA-N 1 1 331.420 0.132 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3nc4ncccn4n3)CC2)C1 ZINC001046072936 766884284 /nfs/dbraw/zinc/88/42/84/766884284.db2.gz RFZOHMIRXYFIGM-AWEZNQCLSA-N 1 1 341.419 0.142 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3coc(COC)n3)CC2)C1 ZINC001046075675 766898356 /nfs/dbraw/zinc/89/83/56/766898356.db2.gz WQMGPJGHFNMODG-HNNXBMFYSA-N 1 1 346.431 0.676 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Oc3ccccn3)CC2)C1 ZINC001046075944 766899564 /nfs/dbraw/zinc/89/95/64/766899564.db2.gz ITEAMJNCQTYFIC-IRXDYDNUSA-N 1 1 342.443 0.701 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnn(CC)c3)CC2)C1 ZINC001046076526 766903682 /nfs/dbraw/zinc/90/36/82/766903682.db2.gz GVWMNPJYKVCORF-SFHVURJKSA-N 1 1 343.475 0.687 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](CCOC)C3)CC2)cn1 ZINC001046076709 766904921 /nfs/dbraw/zinc/90/49/21/766904921.db2.gz PBIWWVYZMFIPSE-GOSISDBHSA-N 1 1 342.443 0.541 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046080268 766916343 /nfs/dbraw/zinc/91/63/43/766916343.db2.gz DPZVDXQQALJAKV-QZTJIDSGSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC001046080447 766916865 /nfs/dbraw/zinc/91/68/65/766916865.db2.gz HDESVCJPTZYZBX-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)C1 ZINC001046082968 766922244 /nfs/dbraw/zinc/92/22/44/766922244.db2.gz ZCFMCHHGOLOUGF-QGZVFWFLSA-N 1 1 342.443 0.804 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC001046083059 766922911 /nfs/dbraw/zinc/92/29/11/766922911.db2.gz KCTZNUJOGJZAFN-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C)on3)C2)C1=O ZINC001046122993 766952948 /nfs/dbraw/zinc/95/29/48/766952948.db2.gz LVZHIXSDRXNFCG-YOEHRIQHSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C)on3)C2)C1=O ZINC001046122993 766952953 /nfs/dbraw/zinc/95/29/53/766952953.db2.gz LVZHIXSDRXNFCG-YOEHRIQHSA-N 1 1 332.404 0.964 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ccnc3)C2)cc1 ZINC001078270912 782596361 /nfs/dbraw/zinc/59/63/61/782596361.db2.gz WMJXVMDQWBPKEL-HZPDHXFCSA-N 1 1 325.372 0.116 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ccnc3)C2)cc1 ZINC001078270912 782596367 /nfs/dbraw/zinc/59/63/67/782596367.db2.gz WMJXVMDQWBPKEL-HZPDHXFCSA-N 1 1 325.372 0.116 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001016810303 766966603 /nfs/dbraw/zinc/96/66/03/766966603.db2.gz XHGJBROWDHWCOB-ODIFPOPNSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnn(C)c3)C2)C1=O ZINC001046135727 766968880 /nfs/dbraw/zinc/96/88/80/766968880.db2.gz VWMMHBOXOFIPJV-PBHICJAKSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cnn(C)c3)C2)C1=O ZINC001046135727 766968889 /nfs/dbraw/zinc/96/88/89/766968889.db2.gz VWMMHBOXOFIPJV-PBHICJAKSA-N 1 1 331.420 0.401 20 30 ECEDMO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001089671144 766977537 /nfs/dbraw/zinc/97/75/37/766977537.db2.gz XRRQHCMTJGLFAE-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccnc(OCCOC)c2)[C@H](OC)C1 ZINC001212270619 766981627 /nfs/dbraw/zinc/98/16/27/766981627.db2.gz WWOSHHASOQDYDA-HUUCEWRRSA-N 1 1 335.404 0.722 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OCCOC)c2)[C@H](OC)C1 ZINC001212270619 766981631 /nfs/dbraw/zinc/98/16/31/766981631.db2.gz WWOSHHASOQDYDA-HUUCEWRRSA-N 1 1 335.404 0.722 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nccc(C)n2)C1 ZINC001031741156 766987948 /nfs/dbraw/zinc/98/79/48/766987948.db2.gz PLPDENBUCPUJGG-INIZCTEOSA-N 1 1 327.432 0.431 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nccc(C)n2)C1 ZINC001031741156 766987952 /nfs/dbraw/zinc/98/79/52/766987952.db2.gz PLPDENBUCPUJGG-INIZCTEOSA-N 1 1 327.432 0.431 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nc(C(C)C)no2)C1 ZINC001031741410 766991033 /nfs/dbraw/zinc/99/10/33/766991033.db2.gz YWBKBLXXIXNJLC-HNNXBMFYSA-N 1 1 345.447 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nc(C(C)C)no2)C1 ZINC001031741410 766991036 /nfs/dbraw/zinc/99/10/36/766991036.db2.gz YWBKBLXXIXNJLC-HNNXBMFYSA-N 1 1 345.447 0.839 20 30 ECEDMO CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001031743550 767002702 /nfs/dbraw/zinc/00/27/02/767002702.db2.gz ZMAIENZBMZOMKB-HZPDHXFCSA-N 1 1 330.432 0.959 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(OC)cc(OC)n1)CO2 ZINC001053847085 767005960 /nfs/dbraw/zinc/00/59/60/767005960.db2.gz YJFARGMXPJRIAW-GFCCVEGCSA-N 1 1 348.403 0.643 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nccn3C1)CO2 ZINC001053852288 767022592 /nfs/dbraw/zinc/02/25/92/767022592.db2.gz JVOAAULCPPRKCY-CABCVRRESA-N 1 1 330.432 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001046194509 767043677 /nfs/dbraw/zinc/04/36/77/767043677.db2.gz FZHKYNPHXWNIQD-PBHICJAKSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001046194509 767043683 /nfs/dbraw/zinc/04/36/83/767043683.db2.gz FZHKYNPHXWNIQD-PBHICJAKSA-N 1 1 331.420 0.699 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CCn4cncn4)[C@@H]3C2)[nH]1 ZINC001042016763 782604113 /nfs/dbraw/zinc/60/41/13/782604113.db2.gz UDSSCOJJVVFLQL-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001046247390 767106651 /nfs/dbraw/zinc/10/66/51/767106651.db2.gz YVOGJGHMAOZLTO-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001046247390 767106653 /nfs/dbraw/zinc/10/66/53/767106653.db2.gz YVOGJGHMAOZLTO-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc[nH]c2)C1 ZINC000938756019 767106864 /nfs/dbraw/zinc/10/68/64/767106864.db2.gz FYWUHAJISVQELK-CVEARBPZSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc[nH]c2)C1 ZINC000938756019 767106866 /nfs/dbraw/zinc/10/68/66/767106866.db2.gz FYWUHAJISVQELK-CVEARBPZSA-N 1 1 328.416 0.785 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCC4)[C@H]3C2)[nH]1 ZINC001042016785 782604358 /nfs/dbraw/zinc/60/43/58/782604358.db2.gz UKRXWXGAIPSLOR-CJNGLKHVSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001089710160 767112427 /nfs/dbraw/zinc/11/24/27/767112427.db2.gz CPYUSRLVLUDTCN-CQSZACIVSA-N 1 1 333.432 0.669 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)C3=CCOCC3)C2)C1=O ZINC001046264651 767116971 /nfs/dbraw/zinc/11/69/71/767116971.db2.gz SVWQJYUFZRILPR-CRAIPNDOSA-N 1 1 333.432 0.701 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nc(C)nn3C1)CO2 ZINC001053879392 767127467 /nfs/dbraw/zinc/12/74/67/767127467.db2.gz PLQLFCSUDRUIQM-LSDHHAIUSA-N 1 1 345.447 0.685 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001089734251 767136080 /nfs/dbraw/zinc/13/60/80/767136080.db2.gz MYRPTOHUCCOTKE-AWEZNQCLSA-N 1 1 332.448 0.968 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001089734252 767136264 /nfs/dbraw/zinc/13/62/64/767136264.db2.gz MYRPTOHUCCOTKE-CQSZACIVSA-N 1 1 332.448 0.968 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001046312387 767141374 /nfs/dbraw/zinc/14/13/74/767141374.db2.gz XFGKWYOTRNIERU-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046329728 767152526 /nfs/dbraw/zinc/15/25/26/767152526.db2.gz UXEIYHMCPKDAGX-QLFBSQMISA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046329728 767152527 /nfs/dbraw/zinc/15/25/27/767152527.db2.gz UXEIYHMCPKDAGX-QLFBSQMISA-N 1 1 329.404 0.591 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cnnn1 ZINC001089770837 767153797 /nfs/dbraw/zinc/15/37/97/767153797.db2.gz UXPPJYGTRBRPMN-FQUUOJAGSA-N 1 1 336.827 0.594 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nc(C2CC2)nn1C ZINC001127609238 767162441 /nfs/dbraw/zinc/16/24/41/767162441.db2.gz RJHGSWCGPZRRAX-KGLIPLIRSA-N 1 1 333.436 0.880 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046374550 767178924 /nfs/dbraw/zinc/17/89/24/767178924.db2.gz PWRONFWVOPRUFB-SFHVURJKSA-N 1 1 345.447 0.894 20 30 ECEDMO CN1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001031777725 767189155 /nfs/dbraw/zinc/18/91/55/767189155.db2.gz LKEVVQVVZZOOMT-QGZVFWFLSA-N 1 1 340.427 0.975 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccccc1C(N)=O)CO2 ZINC001053888728 767224038 /nfs/dbraw/zinc/22/40/38/767224038.db2.gz QEHIWLCTSHKGHG-HNNXBMFYSA-N 1 1 343.427 0.864 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1ccnn1 ZINC001089804911 767230961 /nfs/dbraw/zinc/23/09/61/767230961.db2.gz XPTVSWOZLRKPDE-NXOAAHMSSA-N 1 1 327.432 0.860 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cccc(C)c1=O ZINC001089807334 767234586 /nfs/dbraw/zinc/23/45/86/767234586.db2.gz ZDPVQEBEQGVLAQ-FJIDUMEYSA-N 1 1 339.439 0.959 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn(CCOC)nn2)C1 ZINC001089809410 767240492 /nfs/dbraw/zinc/24/04/92/767240492.db2.gz QJONSOCQQSKZPU-JKQORVJESA-N 1 1 343.431 0.340 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046531629 767283260 /nfs/dbraw/zinc/28/32/60/767283260.db2.gz RHGNSAGQIQXHLH-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046538500 767289131 /nfs/dbraw/zinc/28/91/31/767289131.db2.gz KEJSVNCVDWCCTR-YJBOKZPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C=C(C)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053903901 767309285 /nfs/dbraw/zinc/30/92/85/767309285.db2.gz ALPBWLDJICSAPL-CVEARBPZSA-N 1 1 337.464 0.631 20 30 ECEDMO C=C(C)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053903901 767309291 /nfs/dbraw/zinc/30/92/91/767309291.db2.gz ALPBWLDJICSAPL-CVEARBPZSA-N 1 1 337.464 0.631 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001089825516 767347772 /nfs/dbraw/zinc/34/77/72/767347772.db2.gz CFTVVVGNGFXMAI-QAETUUGQSA-N 1 1 325.412 0.801 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106147406 767370780 /nfs/dbraw/zinc/37/07/80/767370780.db2.gz NTCWLAZWVYQHRE-HZPDHXFCSA-N 1 1 331.420 0.717 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924395 767371573 /nfs/dbraw/zinc/37/15/73/767371573.db2.gz RTBKKXUGRJOAQW-HOTGVXAUSA-N 1 1 342.443 0.737 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001106147498 767372541 /nfs/dbraw/zinc/37/25/41/767372541.db2.gz PSAUZGPVFKTUEQ-KBPBESRZSA-N 1 1 332.408 0.112 20 30 ECEDMO C=CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924454 767373799 /nfs/dbraw/zinc/37/37/99/767373799.db2.gz UEKAXQYQTFAZCI-CABCVRRESA-N 1 1 330.432 0.899 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001046618998 767373888 /nfs/dbraw/zinc/37/38/88/767373888.db2.gz LMJJZHVNJNQLMB-GOSISDBHSA-N 1 1 330.432 0.741 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nccn3ccnc13)CO2 ZINC001053930033 767390403 /nfs/dbraw/zinc/39/04/03/767390403.db2.gz MZLGPEMPEDXXPV-ZDUSSCGKSA-N 1 1 327.388 0.879 20 30 ECEDMO Cc1nsc(NC[C@H](O)CNC(=O)C[N@H+](C)C2CCC2)c1C#N ZINC001106154899 767391255 /nfs/dbraw/zinc/39/12/55/767391255.db2.gz QNXVEMASIXXOTA-GFCCVEGCSA-N 1 1 337.449 0.697 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)c[nH]c1CC(N)=O)CO2 ZINC001053934188 767395383 /nfs/dbraw/zinc/39/53/83/767395383.db2.gz HRXOFPVQZNPZCS-ZDUSSCGKSA-N 1 1 346.431 0.500 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCCC2=CCN(c3nccnc3C#N)CC2)C1 ZINC001089832244 767396116 /nfs/dbraw/zinc/39/61/16/767396116.db2.gz PTPOXWLZVQNXCD-HNNXBMFYSA-N 1 1 340.431 0.943 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F)C1CCC1 ZINC001106154601 767405641 /nfs/dbraw/zinc/40/56/41/767405641.db2.gz LPHPALBJFVDOOS-CYBMUJFWSA-N 1 1 335.383 0.466 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(C2CC2)n1 ZINC001106154443 767405754 /nfs/dbraw/zinc/40/57/54/767405754.db2.gz IFUAABMHEAGBKN-CABCVRRESA-N 1 1 343.431 0.341 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(C2CC2)n1 ZINC001106154443 767405760 /nfs/dbraw/zinc/40/57/60/767405760.db2.gz IFUAABMHEAGBKN-CABCVRRESA-N 1 1 343.431 0.341 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cccc(F)c1C#N ZINC001106154329 767405826 /nfs/dbraw/zinc/40/58/26/767405826.db2.gz IAQGEPSMVMIJHU-GUYCJALGSA-N 1 1 344.390 0.684 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cccc(F)c1C#N ZINC001106154329 767405830 /nfs/dbraw/zinc/40/58/30/767405830.db2.gz IAQGEPSMVMIJHU-GUYCJALGSA-N 1 1 344.390 0.684 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106157873 767422023 /nfs/dbraw/zinc/42/20/23/767422023.db2.gz LADOFRQUFZYBRJ-LSDHHAIUSA-N 1 1 331.420 0.717 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001046670879 767448696 /nfs/dbraw/zinc/44/86/96/767448696.db2.gz ADRZIRNDGXEXQP-PBHICJAKSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001046672537 767454867 /nfs/dbraw/zinc/45/48/67/767454867.db2.gz VXNMXUKYCRJHHK-HUUCEWRRSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001046676717 767461352 /nfs/dbraw/zinc/46/13/52/767461352.db2.gz KSIZTSQNVXGCAV-AWEZNQCLSA-N 1 1 337.464 0.620 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001046677012 767462566 /nfs/dbraw/zinc/46/25/66/767462566.db2.gz NIMKUPNFJZFCSQ-CQSZACIVSA-N 1 1 335.448 0.067 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001046681524 767471231 /nfs/dbraw/zinc/47/12/31/767471231.db2.gz OEOLEEKMUKLRJM-QGZVFWFLSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001046681524 767471236 /nfs/dbraw/zinc/47/12/36/767471236.db2.gz OEOLEEKMUKLRJM-QGZVFWFLSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001046681546 767471314 /nfs/dbraw/zinc/47/13/14/767471314.db2.gz ONKZXDAEQTVBEQ-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001046681546 767471320 /nfs/dbraw/zinc/47/13/20/767471320.db2.gz ONKZXDAEQTVBEQ-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106169717 767479178 /nfs/dbraw/zinc/47/91/78/767479178.db2.gz KLIFBMDHENNEMZ-HOTGVXAUSA-N 1 1 345.447 0.963 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001046684762 767479137 /nfs/dbraw/zinc/47/91/37/767479137.db2.gz MAWIQDWKWDCWRN-CABCVRRESA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001046688863 767485161 /nfs/dbraw/zinc/48/51/61/767485161.db2.gz AMZJEGMBROVDDF-BBRMVZONSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001046688863 767485166 /nfs/dbraw/zinc/48/51/66/767485166.db2.gz AMZJEGMBROVDDF-BBRMVZONSA-N 1 1 334.424 0.312 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CCC1 ZINC001046691744 767490658 /nfs/dbraw/zinc/49/06/58/767490658.db2.gz LJNCNZXVMSNFFC-LSDHHAIUSA-N 1 1 347.459 0.067 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046692256 767492624 /nfs/dbraw/zinc/49/26/24/767492624.db2.gz SJLNJDXGIZXTHR-GJZGRUSLSA-N 1 1 335.448 0.067 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001017038732 767494928 /nfs/dbraw/zinc/49/49/28/767494928.db2.gz LMOILXDCYJXRPA-YGONEPDPSA-N 1 1 343.431 0.947 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001046696376 767503368 /nfs/dbraw/zinc/50/33/68/767503368.db2.gz UMEDTUFGGFXFNN-UHFFFAOYSA-N 1 1 337.464 0.313 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001046704380 767517811 /nfs/dbraw/zinc/51/78/11/767517811.db2.gz QSDJMEGDCZUGNA-QGZVFWFLSA-N 1 1 327.388 0.549 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCCN(C)C1=O)CO2 ZINC001053980706 767520732 /nfs/dbraw/zinc/52/07/32/767520732.db2.gz BVQBOSAVFCDCBL-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCCCC(=O)N1)CO2 ZINC001053992851 767546361 /nfs/dbraw/zinc/54/63/61/767546361.db2.gz BMCHLXHYMKUVAD-LSDHHAIUSA-N 1 1 335.448 0.971 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCN(C(C)=O)C1)CO2 ZINC001053994761 767551067 /nfs/dbraw/zinc/55/10/67/767551067.db2.gz LSMYSWQJRPHCSK-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C1CC1)N1CCOCC1)CO2 ZINC001054013132 767597550 /nfs/dbraw/zinc/59/75/50/767597550.db2.gz OUQUYJLXJLSQNQ-DLBZAZTESA-N 1 1 349.475 0.633 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001017109226 767601142 /nfs/dbraw/zinc/60/11/42/767601142.db2.gz HAXPDHLIOVBGGY-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001060476491 767688398 /nfs/dbraw/zinc/68/83/98/767688398.db2.gz UKDFHHBXLRXFQP-CRQFQMBKSA-N 1 1 326.404 0.097 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017199778 767717285 /nfs/dbraw/zinc/71/72/85/767717285.db2.gz LMBLQOQQVYIHMJ-CYBMUJFWSA-N 1 1 332.379 0.853 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)nn1 ZINC001017222705 767736406 /nfs/dbraw/zinc/73/64/06/767736406.db2.gz BXHBTDHFTOSBDP-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cnc3n1CCOC3)C2 ZINC001054148155 767743493 /nfs/dbraw/zinc/74/34/93/767743493.db2.gz IOPSSPNTOZTHNK-GOSISDBHSA-N 1 1 328.416 0.975 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2 ZINC001054153778 767748350 /nfs/dbraw/zinc/74/83/50/767748350.db2.gz ZJOUGHYVKQINNB-GDBMZVCRSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2 ZINC001054153778 767748355 /nfs/dbraw/zinc/74/83/55/767748355.db2.gz ZJOUGHYVKQINNB-GDBMZVCRSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001054155234 767749811 /nfs/dbraw/zinc/74/98/11/767749811.db2.gz MPOAJCXPVPSRPW-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001054155234 767749814 /nfs/dbraw/zinc/74/98/14/767749814.db2.gz MPOAJCXPVPSRPW-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001054155133 767750507 /nfs/dbraw/zinc/75/05/07/767750507.db2.gz KJPOKSPTNGRHHC-MRXNPFEDSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001054155133 767750512 /nfs/dbraw/zinc/75/05/12/767750512.db2.gz KJPOKSPTNGRHHC-MRXNPFEDSA-N 1 1 326.462 0.922 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001054166695 767764202 /nfs/dbraw/zinc/76/42/02/767764202.db2.gz HGTZURJKKICMHE-GOSISDBHSA-N 1 1 345.447 0.310 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C(N)=O)C3)cc1F ZINC001054188685 767789661 /nfs/dbraw/zinc/78/96/61/767789661.db2.gz RCJALGXBPHWOHU-GOSISDBHSA-N 1 1 344.390 0.997 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001054206339 767803808 /nfs/dbraw/zinc/80/38/08/767803808.db2.gz ICPNFLNTYWLYDR-KSSFIOAISA-N 1 1 348.447 0.865 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001054214158 767811859 /nfs/dbraw/zinc/81/18/59/767811859.db2.gz SAUJPRGVTJKUCV-GOSISDBHSA-N 1 1 331.416 0.377 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001054224949 767830256 /nfs/dbraw/zinc/83/02/56/767830256.db2.gz NKYGEEJOGUGIET-KRWDZBQOSA-N 1 1 334.420 0.429 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001054235036 767844782 /nfs/dbraw/zinc/84/47/82/767844782.db2.gz OCEATPNOTXWKFL-SJLPKXTDSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001017851948 768469143 /nfs/dbraw/zinc/46/91/43/768469143.db2.gz KRWPIYFQILTEEK-SOUVJXGZSA-N 1 1 327.432 0.619 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CNC(=O)N2)cc1 ZINC001017867167 768490631 /nfs/dbraw/zinc/49/06/31/768490631.db2.gz JTCVVSZHBBGFDS-XHSDSOJGSA-N 1 1 339.399 0.415 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CNC(=O)N2)cc1 ZINC001017867167 768490633 /nfs/dbraw/zinc/49/06/33/768490633.db2.gz JTCVVSZHBBGFDS-XHSDSOJGSA-N 1 1 339.399 0.415 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C(N)=O)CC2)cc1 ZINC001017877648 768496990 /nfs/dbraw/zinc/49/69/90/768496990.db2.gz BVLYOVVLFSSMFX-IYBDPMFKSA-N 1 1 338.411 0.999 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C(N)=O)CC2)cc1 ZINC001017877648 768496992 /nfs/dbraw/zinc/49/69/92/768496992.db2.gz BVLYOVVLFSSMFX-IYBDPMFKSA-N 1 1 338.411 0.999 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1ccc(C#N)nn1 ZINC001106627600 768527055 /nfs/dbraw/zinc/52/70/55/768527055.db2.gz IXKJVHLECOJGES-HIFRSBDPSA-N 1 1 326.404 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1ccc(C#N)nn1 ZINC001106627600 768527058 /nfs/dbraw/zinc/52/70/58/768527058.db2.gz IXKJVHLECOJGES-HIFRSBDPSA-N 1 1 326.404 0.753 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)C1 ZINC001055064752 768552529 /nfs/dbraw/zinc/55/25/29/768552529.db2.gz SFORQDDPEXSDCA-OJLVUWQFSA-N 1 1 340.431 0.916 20 30 ECEDMO CC(C)=CC(=O)N1C[C@H](C)OC2(CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001111536030 768556948 /nfs/dbraw/zinc/55/69/48/768556948.db2.gz XQXMXALAUOIKCO-HNNXBMFYSA-N 1 1 348.447 0.674 20 30 ECEDMO CCN(CCNc1snc(C)c1C#N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001106709735 768696471 /nfs/dbraw/zinc/69/64/71/768696471.db2.gz CJBQJQQXNIREPD-CYBMUJFWSA-N 1 1 337.449 0.914 20 30 ECEDMO CCN(CCNc1snc(C)c1C#N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001106709735 768696475 /nfs/dbraw/zinc/69/64/75/768696475.db2.gz CJBQJQQXNIREPD-CYBMUJFWSA-N 1 1 337.449 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H](C)COC)C[C@H]2C1 ZINC001055247439 768705341 /nfs/dbraw/zinc/70/53/41/768705341.db2.gz UAWDHMLMXQDTGS-NXOAAHMSSA-N 1 1 347.459 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H](C)COC)C[C@H]2C1 ZINC001055247439 768705344 /nfs/dbraw/zinc/70/53/44/768705344.db2.gz UAWDHMLMXQDTGS-NXOAAHMSSA-N 1 1 347.459 0.283 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001055250231 768708960 /nfs/dbraw/zinc/70/89/60/768708960.db2.gz BKBMUEQKZPMOSX-LUKYLMHMSA-N 1 1 349.475 0.836 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)C1 ZINC001055296659 768751429 /nfs/dbraw/zinc/75/14/29/768751429.db2.gz VKBDYKNCIOVFOK-MXASKKJJSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)C1 ZINC001055296659 768751433 /nfs/dbraw/zinc/75/14/33/768751433.db2.gz VKBDYKNCIOVFOK-MXASKKJJSA-N 1 1 341.415 0.510 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055313274 768768658 /nfs/dbraw/zinc/76/86/58/768768658.db2.gz JIVOBWKSTYZBPO-JEWRLFTDSA-N 1 1 349.475 0.572 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001055313207 768768678 /nfs/dbraw/zinc/76/86/78/768768678.db2.gz GRKQJUICHBPYKQ-JEWRLFTDSA-N 1 1 349.475 0.715 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001055338413 768795054 /nfs/dbraw/zinc/79/50/54/768795054.db2.gz TVBSQVNSUFDXNQ-IYBDPMFKSA-N 1 1 344.415 0.148 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@]2(C)C1 ZINC000993348314 768822849 /nfs/dbraw/zinc/82/28/49/768822849.db2.gz QLCQEXXDJGGHAH-QEORTHHSSA-N 1 1 329.404 0.658 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]21 ZINC001042062943 782700903 /nfs/dbraw/zinc/70/09/03/782700903.db2.gz QBWJQHRQPHIFSD-CABCVRRESA-N 1 1 345.443 0.718 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC(C)(C)C1 ZINC001089353720 769014327 /nfs/dbraw/zinc/01/43/27/769014327.db2.gz DTMGQZLXXSQXQE-AAEUAGOBSA-N 1 1 331.420 0.981 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2ccon2)CC1 ZINC001055531605 769026720 /nfs/dbraw/zinc/02/67/20/769026720.db2.gz LMSMRWWLGSWOLP-ZDUSSCGKSA-N 1 1 348.403 0.023 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001018281606 769030022 /nfs/dbraw/zinc/03/00/22/769030022.db2.gz BCCYTVNHIOZMGT-HZSPNIEDSA-N 1 1 327.450 0.320 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2cscn2)CC1 ZINC001055544627 769078439 /nfs/dbraw/zinc/07/84/39/769078439.db2.gz ZUZPADSKLQNIHR-LLVKDONJSA-N 1 1 335.433 0.613 20 30 ECEDMO C=CCCCC(=O)NC1CC[NH+](CCNC(=O)c2ncn(C)n2)CC1 ZINC001055570166 769140969 /nfs/dbraw/zinc/14/09/69/769140969.db2.gz GIJXSCVKPKRLRF-UHFFFAOYSA-N 1 1 348.451 0.482 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)C[C@H]21 ZINC001042079522 782724699 /nfs/dbraw/zinc/72/46/99/782724699.db2.gz DUHQWGHVCSMPSG-WMLDXEAASA-N 1 1 341.411 0.720 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)C[C@@H]21 ZINC001042083666 782733021 /nfs/dbraw/zinc/73/30/21/782733021.db2.gz MJLYSSZQCWNDCU-GJZGRUSLSA-N 1 1 346.431 0.046 20 30 ECEDMO Cc1cc(CC(=O)NC2CC[NH+](CCNC(=O)[C@H](C)C#N)CC2)[nH]n1 ZINC001055630228 769300404 /nfs/dbraw/zinc/30/04/04/769300404.db2.gz XDBADASJRGYHHM-GFCCVEGCSA-N 1 1 346.435 0.117 20 30 ECEDMO COc1nc(C(=O)NC2CC[NH+](CCNC(=O)[C@@H](C)C#N)CC2)co1 ZINC001055632302 769307875 /nfs/dbraw/zinc/30/78/75/769307875.db2.gz RQGMEWRVCNCFKZ-NSHDSACASA-N 1 1 349.391 0.153 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055632512 769308102 /nfs/dbraw/zinc/30/81/02/769308102.db2.gz WTXGAVQSYHWWQE-IIAWOOMASA-N 1 1 349.479 0.183 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055632512 769308118 /nfs/dbraw/zinc/30/81/18/769308118.db2.gz WTXGAVQSYHWWQE-IIAWOOMASA-N 1 1 349.479 0.183 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001055644965 769333086 /nfs/dbraw/zinc/33/30/86/769333086.db2.gz KFFUTPUOGMCCHQ-HUUCEWRRSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001055644965 769333095 /nfs/dbraw/zinc/33/30/95/769333095.db2.gz KFFUTPUOGMCCHQ-HUUCEWRRSA-N 1 1 349.479 0.185 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H]1C ZINC000993607988 769352961 /nfs/dbraw/zinc/35/29/61/769352961.db2.gz VALRGRRFAPTUHI-GXTWGEPZSA-N 1 1 326.404 0.969 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H]1C ZINC000993607988 769352969 /nfs/dbraw/zinc/35/29/69/769352969.db2.gz VALRGRRFAPTUHI-GXTWGEPZSA-N 1 1 326.404 0.969 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H]1C ZINC000993607991 769354226 /nfs/dbraw/zinc/35/42/26/769354226.db2.gz VALRGRRFAPTUHI-TZMCWYRMSA-N 1 1 326.404 0.969 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H]1C ZINC000993607991 769354237 /nfs/dbraw/zinc/35/42/37/769354237.db2.gz VALRGRRFAPTUHI-TZMCWYRMSA-N 1 1 326.404 0.969 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)[C@H]2C)C1 ZINC000993796336 769631108 /nfs/dbraw/zinc/63/11/08/769631108.db2.gz ZHAPQMVUVHXWHY-KBPBESRZSA-N 1 1 348.447 0.864 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1 ZINC001018631737 769683780 /nfs/dbraw/zinc/68/37/80/769683780.db2.gz JTSSVFBEHPWEJW-MNOVXSKESA-N 1 1 325.390 0.533 20 30 ECEDMO CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078359787 782771388 /nfs/dbraw/zinc/77/13/88/782771388.db2.gz DUAJFTBLHFWOOS-CHWSQXEVSA-N 1 1 335.412 0.121 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001018738249 769831802 /nfs/dbraw/zinc/83/18/02/769831802.db2.gz OYXKBTQHXKNVHC-LBPRGKRZSA-N 1 1 342.407 0.632 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CCCO3)C2)C1 ZINC001018750948 769866990 /nfs/dbraw/zinc/86/69/90/769866990.db2.gz ZQOMQFVOZVCDOW-JKSUJKDBSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CCCO3)C2)C1 ZINC001018750948 769867002 /nfs/dbraw/zinc/86/70/02/769867002.db2.gz ZQOMQFVOZVCDOW-JKSUJKDBSA-N 1 1 345.443 0.324 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H]1C ZINC000993993019 769975040 /nfs/dbraw/zinc/97/50/40/769975040.db2.gz YDQMOZUDSWNIGO-KBPBESRZSA-N 1 1 334.424 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)/C(C)=C\C)C1 ZINC001055872417 770047959 /nfs/dbraw/zinc/04/79/59/770047959.db2.gz HADUFGRYQRYRMS-XZBYBNDRSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)/C(C)=C\C)C1 ZINC001055872417 770047971 /nfs/dbraw/zinc/04/79/71/770047971.db2.gz HADUFGRYQRYRMS-XZBYBNDRSA-N 1 1 347.459 0.520 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001018850465 770093641 /nfs/dbraw/zinc/09/36/41/770093641.db2.gz URWVZKJSRYBTFS-AWEZNQCLSA-N 1 1 329.339 0.075 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001055906124 770167609 /nfs/dbraw/zinc/16/76/09/770167609.db2.gz AQUROMUDRJFKMG-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C ZINC000994170758 770200809 /nfs/dbraw/zinc/20/08/09/770200809.db2.gz NUFBFRBICKCQGJ-CHWSQXEVSA-N 1 1 336.436 0.862 20 30 ECEDMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCCO2)n1 ZINC001078382908 782818120 /nfs/dbraw/zinc/81/81/20/782818120.db2.gz UBQFICJICAMTSY-CQSZACIVSA-N 1 1 343.391 0.036 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H]1C ZINC000994169203 770241195 /nfs/dbraw/zinc/24/11/95/770241195.db2.gz LHJHEJYDFFFGRH-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO N#Cc1nccc(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)n1 ZINC001055928246 770248881 /nfs/dbraw/zinc/24/88/81/770248881.db2.gz NZCUVBUXSWLPSC-ZDUSSCGKSA-N 1 1 337.387 0.771 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001055930839 770261580 /nfs/dbraw/zinc/26/15/80/770261580.db2.gz ADXGQXBDIJKFLP-VQIMIIECSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C ZINC000994179225 770265322 /nfs/dbraw/zinc/26/53/22/770265322.db2.gz OLBAIDWANZRRCG-HUUCEWRRSA-N 1 1 347.463 0.926 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC(C)(C)C1 ZINC001089357300 770326699 /nfs/dbraw/zinc/32/66/99/770326699.db2.gz JMZKENGTNIXJAO-RYUDHWBXSA-N 1 1 331.420 0.981 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001055954345 770352566 /nfs/dbraw/zinc/35/25/66/770352566.db2.gz RCCVDYRAUPDRTG-QFBILLFUSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046927332 770380206 /nfs/dbraw/zinc/38/02/06/770380206.db2.gz XIDWFNMDNOGCHW-KBPBESRZSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001042138029 782836711 /nfs/dbraw/zinc/83/67/11/782836711.db2.gz KBXKGDOZGLRKCB-CZUORRHYSA-N 1 1 328.416 0.684 20 30 ECEDMO C[N@@H+](CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1)C1CCC1 ZINC001055986171 770454112 /nfs/dbraw/zinc/45/41/12/770454112.db2.gz CMVQLVKDIPFGLA-IBGZPJMESA-N 1 1 347.459 0.354 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@]2(CO)CCCN(C(=O)C#CC3CC3)C2)C1 ZINC001056019372 770570634 /nfs/dbraw/zinc/57/06/34/770570634.db2.gz ICCQYELUVGATFJ-APWZRJJASA-N 1 1 347.459 0.211 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2ncc(C#N)cc2F)CC1 ZINC001056020437 770576810 /nfs/dbraw/zinc/57/68/10/770576810.db2.gz QGBHYPHCRGHAJJ-OCCSQVGLSA-N 1 1 331.395 0.939 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001056020711 770578017 /nfs/dbraw/zinc/57/80/17/770578017.db2.gz VTXUFHHPGWZEEO-IUODEOHRSA-N 1 1 328.420 0.503 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@@H]1C ZINC000994295948 770589165 /nfs/dbraw/zinc/58/91/65/770589165.db2.gz OWCMCGQQBREFNV-AAEUAGOBSA-N 1 1 325.372 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@@H]1C ZINC000994295948 770589171 /nfs/dbraw/zinc/58/91/71/770589171.db2.gz OWCMCGQQBREFNV-AAEUAGOBSA-N 1 1 325.372 0.946 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056031567 770616431 /nfs/dbraw/zinc/61/64/31/770616431.db2.gz APKPUNJMIBVNFR-SFHVURJKSA-N 1 1 335.448 0.211 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001056059436 770705738 /nfs/dbraw/zinc/70/57/38/770705738.db2.gz NYDRYNQAKHNVNP-QFBILLFUSA-N 1 1 349.475 0.600 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@]2(CO)CCCN(C(=O)C#CC3CC3)C2)C1 ZINC001056127903 770891534 /nfs/dbraw/zinc/89/15/34/770891534.db2.gz IQDTVBYVTKAEQU-HNAYVOBHSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@H]21 ZINC001042162999 782876554 /nfs/dbraw/zinc/87/65/54/782876554.db2.gz NDQVJHLUBWLOBN-CZUORRHYSA-N 1 1 337.387 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC13CC3)C2 ZINC001019145088 770920182 /nfs/dbraw/zinc/92/01/82/770920182.db2.gz ZPJJIQMOYREEQU-HOTGVXAUSA-N 1 1 341.455 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC13CC3)C2 ZINC001019145088 770920186 /nfs/dbraw/zinc/92/01/86/770920186.db2.gz ZPJJIQMOYREEQU-HOTGVXAUSA-N 1 1 341.455 0.945 20 30 ECEDMO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)ccc1C#N ZINC001056149141 770937530 /nfs/dbraw/zinc/93/75/30/770937530.db2.gz KTFJMBZDXXOGHQ-QSJFSLAZSA-N 1 1 325.416 0.907 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cccc(C#N)c3)C2)C1 ZINC001031420529 771033687 /nfs/dbraw/zinc/03/36/87/771033687.db2.gz PAZNBKCYELEHCR-QGZVFWFLSA-N 1 1 328.416 0.579 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cccc(C#N)c3)C2)C1 ZINC001031420529 771033694 /nfs/dbraw/zinc/03/36/94/771033694.db2.gz PAZNBKCYELEHCR-QGZVFWFLSA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001056252199 771043197 /nfs/dbraw/zinc/04/31/97/771043197.db2.gz ATXSYVUJYNKVKD-TXPWEPMLSA-N 1 1 325.416 0.846 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccccc3C(N)=O)C[C@H]21 ZINC001042179437 782897675 /nfs/dbraw/zinc/89/76/75/782897675.db2.gz LZSHUWZDLDAEFG-RHSMWYFYSA-N 1 1 325.412 0.884 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC(C)(C)C1 ZINC001089427939 771141566 /nfs/dbraw/zinc/14/15/66/771141566.db2.gz TZYQBDVUCCISQH-CQSZACIVSA-N 1 1 335.452 0.765 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042182361 782903261 /nfs/dbraw/zinc/90/32/61/782903261.db2.gz DSORNAVMNCKPAG-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC[N@H+](C)CC ZINC001056401557 771226554 /nfs/dbraw/zinc/22/65/54/771226554.db2.gz HQXVRVMQGAOBAD-IXDOHACOSA-N 1 1 349.475 0.958 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001019405201 771259047 /nfs/dbraw/zinc/25/90/47/771259047.db2.gz ADJVMJPKUFZTNF-MJBXVCDLSA-N 1 1 347.419 0.090 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001031555952 771271233 /nfs/dbraw/zinc/27/12/33/771271233.db2.gz ALTDAGHDQFNIPI-HNNXBMFYSA-N 1 1 331.420 0.421 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031578186 771324876 /nfs/dbraw/zinc/32/48/76/771324876.db2.gz HEULYSMGGUVTBW-DLBZAZTESA-N 1 1 326.396 0.895 20 30 ECEDMO C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)Nc1ccnc(C#N)n1 ZINC001089496705 771345768 /nfs/dbraw/zinc/34/57/68/771345768.db2.gz SUEPUXNWIHZCQZ-OLZOCXBDSA-N 1 1 330.436 0.950 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnc(CC)[nH]3)C2)nn1 ZINC001019482035 771345887 /nfs/dbraw/zinc/34/58/87/771345887.db2.gz DBXPBZWFCDKCHE-NEPJUHHUSA-N 1 1 344.423 0.710 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cc(OC)no3)C2)nn1 ZINC001019493667 771358281 /nfs/dbraw/zinc/35/82/81/771358281.db2.gz IUFHXRQPVDUHJY-LBPRGKRZSA-N 1 1 346.391 0.855 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001060733787 771372557 /nfs/dbraw/zinc/37/25/57/771372557.db2.gz YOEYHWWGBCOWJN-QBPKDAKJSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1ccnc(C)n1 ZINC001127511177 771396799 /nfs/dbraw/zinc/39/67/99/771396799.db2.gz LFPQTHWBMJBQOK-INIZCTEOSA-N 1 1 345.447 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1ccnc(C)n1 ZINC001127511177 771396804 /nfs/dbraw/zinc/39/68/04/771396804.db2.gz LFPQTHWBMJBQOK-INIZCTEOSA-N 1 1 345.447 0.770 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC(C)(C)C1 ZINC001089534837 771419551 /nfs/dbraw/zinc/41/95/51/771419551.db2.gz FDCJPZQEHMDXQI-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001056648502 771468170 /nfs/dbraw/zinc/46/81/70/771468170.db2.gz ZHTGFXSGQMIBMC-CABCVRRESA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001056648502 771468174 /nfs/dbraw/zinc/46/81/74/771468174.db2.gz ZHTGFXSGQMIBMC-CABCVRRESA-N 1 1 329.404 0.687 20 30 ECEDMO C[C@@H]1CCCCN1C(=O)C[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031618686 771469051 /nfs/dbraw/zinc/46/90/51/771469051.db2.gz BZRWKZIHYXBTSP-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)CC(C)(C)C1 ZINC001089553688 771469110 /nfs/dbraw/zinc/46/91/10/771469110.db2.gz YSNGYNVEJGIJHJ-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056650894 771471245 /nfs/dbraw/zinc/47/12/45/771471245.db2.gz ABNTWZMDZOWELZ-KGLIPLIRSA-N 1 1 328.420 0.657 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001056668695 771493981 /nfs/dbraw/zinc/49/39/81/771493981.db2.gz GJWLRMJVWQHHOO-YESZJQIVSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)(C)C)CCCO1 ZINC001019611122 771592026 /nfs/dbraw/zinc/59/20/26/771592026.db2.gz BNSWTOWHCSRRQB-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)(C)C)CCCO1 ZINC001019611122 771592031 /nfs/dbraw/zinc/59/20/31/771592031.db2.gz BNSWTOWHCSRRQB-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2(C)CC2)CCCO1 ZINC001019611680 771592977 /nfs/dbraw/zinc/59/29/77/771592977.db2.gz NUMZLJNLFVKBGF-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2(C)CC2)CCCO1 ZINC001019611680 771592980 /nfs/dbraw/zinc/59/29/80/771592980.db2.gz NUMZLJNLFVKBGF-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)/C(C)=C\C)CCCO1 ZINC001019612099 771594274 /nfs/dbraw/zinc/59/42/74/771594274.db2.gz XLGCHMYAFRKIPT-ANNBALGTSA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)/C(C)=C\C)CCCO1 ZINC001019612099 771594277 /nfs/dbraw/zinc/59/42/77/771594277.db2.gz XLGCHMYAFRKIPT-ANNBALGTSA-N 1 1 347.459 0.784 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CCF)C2)cn1 ZINC001019675204 771703633 /nfs/dbraw/zinc/70/36/33/771703633.db2.gz FUXUPFYVAICREU-HNNXBMFYSA-N 1 1 342.378 0.628 20 30 ECEDMO Cc1cc(N(C)[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001056879349 771756432 /nfs/dbraw/zinc/75/64/32/771756432.db2.gz AYSTVOUNFWBKMO-WBVHZDCISA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1cc(N(C)[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001056879349 771756435 /nfs/dbraw/zinc/75/64/35/771756435.db2.gz AYSTVOUNFWBKMO-WBVHZDCISA-N 1 1 343.431 0.629 20 30 ECEDMO CN(c1ccncc1C#N)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001056880258 771757551 /nfs/dbraw/zinc/75/75/51/771757551.db2.gz YXGJOSXINLCMCI-GDBMZVCRSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ccncc1C#N)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001056880258 771757555 /nfs/dbraw/zinc/75/75/55/771757555.db2.gz YXGJOSXINLCMCI-GDBMZVCRSA-N 1 1 329.404 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC(C)C ZINC001056917899 771805013 /nfs/dbraw/zinc/80/50/13/771805013.db2.gz RIRLLYMRHBTJQI-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC(C)C ZINC001056917899 771805016 /nfs/dbraw/zinc/80/50/16/771805016.db2.gz RIRLLYMRHBTJQI-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001056926349 771814431 /nfs/dbraw/zinc/81/44/31/771814431.db2.gz FNMFDDDHACDWJF-DZGCQCFKSA-N 1 1 328.420 0.646 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001056926350 771814554 /nfs/dbraw/zinc/81/45/54/771814554.db2.gz FNMFDDDHACDWJF-HIFRSBDPSA-N 1 1 328.420 0.646 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3cncc(C#N)n3)C2)C1 ZINC001056930505 771821965 /nfs/dbraw/zinc/82/19/65/771821965.db2.gz MDIXOCRXMDPUJC-HUUCEWRRSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3cncc(C#N)n3)C2)C1 ZINC001056930505 771821970 /nfs/dbraw/zinc/82/19/70/771821970.db2.gz MDIXOCRXMDPUJC-HUUCEWRRSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3ccn(CC)n3)C2)CC1 ZINC001019815496 771831085 /nfs/dbraw/zinc/83/10/85/771831085.db2.gz HDAGOJVLQWAIMU-SFHVURJKSA-N 1 1 343.475 0.939 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CC[C@@H]3CCOC3)C2)CC1 ZINC001019815684 771831095 /nfs/dbraw/zinc/83/10/95/771831095.db2.gz KKLSCRAJLXIYDM-AEFFLSMTSA-N 1 1 333.476 0.949 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3cncc(C#N)n3)C2)C1 ZINC001057030226 771968012 /nfs/dbraw/zinc/96/80/12/771968012.db2.gz YSFZYYZMTWNZPT-UKRRQHHQSA-N 1 1 328.420 0.727 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]21 ZINC001042244299 782975786 /nfs/dbraw/zinc/97/57/86/782975786.db2.gz WQYUOPLCFRUDKA-ZBFHGGJFSA-N 1 1 342.443 0.911 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057157303 772188020 /nfs/dbraw/zinc/18/80/20/772188020.db2.gz CWYHQMTVHHKVDT-CQSZACIVSA-N 1 1 328.420 0.729 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)nn1 ZINC001020126878 772191048 /nfs/dbraw/zinc/19/10/48/772191048.db2.gz KUFNSQVGDKXJBN-KCQAQPDRSA-N 1 1 346.435 0.278 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)cc1 ZINC001042257639 782993840 /nfs/dbraw/zinc/99/38/40/782993840.db2.gz KLEHMQBOLKLXJH-RHSMWYFYSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)cc1 ZINC001042257639 782993841 /nfs/dbraw/zinc/99/38/41/782993841.db2.gz KLEHMQBOLKLXJH-RHSMWYFYSA-N 1 1 341.411 0.720 20 30 ECEDMO C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001057199317 772260089 /nfs/dbraw/zinc/26/00/89/772260089.db2.gz PFCZMODQGVMGFM-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CCOCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057208904 772278617 /nfs/dbraw/zinc/27/86/17/772278617.db2.gz DEPRGJYSUCIQJE-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001057210271 772282670 /nfs/dbraw/zinc/28/26/70/772282670.db2.gz CJWUMTHILVQLKV-LSDHHAIUSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)CCC ZINC001057225203 772306489 /nfs/dbraw/zinc/30/64/89/772306489.db2.gz WGAQUXOLEJRBRZ-HOTGVXAUSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)CCC ZINC001057225203 772306494 /nfs/dbraw/zinc/30/64/94/772306494.db2.gz WGAQUXOLEJRBRZ-HOTGVXAUSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC1CCC1 ZINC001057277159 772388733 /nfs/dbraw/zinc/38/87/33/772388733.db2.gz RNCTWXJZDGUQTP-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC1CCC1 ZINC001057277159 772388734 /nfs/dbraw/zinc/38/87/34/772388734.db2.gz RNCTWXJZDGUQTP-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CCCO)[C@H]3C2)nn1 ZINC001042267933 783011174 /nfs/dbraw/zinc/01/11/74/783011174.db2.gz YEJMQICPAWTSCH-ZBFHGGJFSA-N 1 1 333.436 0.773 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001078471797 783014586 /nfs/dbraw/zinc/01/45/86/783014586.db2.gz DVFSLNWTQOOCQE-ZNMIVQPWSA-N 1 1 349.435 0.113 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 ZINC001057394287 772563045 /nfs/dbraw/zinc/56/30/45/772563045.db2.gz NFEBXPBYWLPESN-UHFFFAOYSA-N 1 1 349.435 0.169 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(CNc3ccc(C#N)nn3)CC2)C1 ZINC001057502051 772691221 /nfs/dbraw/zinc/69/12/21/772691221.db2.gz ZQWFSYQYZYJITB-CQSZACIVSA-N 1 1 328.420 0.950 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CNc3ccnc(C#N)n3)CC2)C1 ZINC001057541383 772737189 /nfs/dbraw/zinc/73/71/89/772737189.db2.gz FSRLQLBRNCQJIK-CQSZACIVSA-N 1 1 342.447 0.762 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC(CNc3ccnc(C#N)n3)CC2)CC[N@H+]1C ZINC001057550903 772747735 /nfs/dbraw/zinc/74/77/35/772747735.db2.gz BTYPRVXXDYTPJV-UKRRQHHQSA-N 1 1 342.447 0.761 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001057588128 772785277 /nfs/dbraw/zinc/78/52/77/772785277.db2.gz UDTFHENABKNZTG-INIZCTEOSA-N 1 1 337.464 0.600 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057599250 772795643 /nfs/dbraw/zinc/79/56/43/772795643.db2.gz WHVKZIQGASXJDY-IAGOWNOFSA-N 1 1 349.475 0.457 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057600563 772797706 /nfs/dbraw/zinc/79/77/06/772797706.db2.gz CNBOGNZSGGSVEO-GXTWGEPZSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057600563 772797709 /nfs/dbraw/zinc/79/77/09/772797709.db2.gz CNBOGNZSGGSVEO-GXTWGEPZSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057601324 772799014 /nfs/dbraw/zinc/79/90/14/772799014.db2.gz NHPKXASJLXYWOZ-ZIAGYGMSSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057601324 772799015 /nfs/dbraw/zinc/79/90/15/772799015.db2.gz NHPKXASJLXYWOZ-ZIAGYGMSSA-N 1 1 330.392 0.082 20 30 ECEDMO Cc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001057603014 772802261 /nfs/dbraw/zinc/80/22/61/772802261.db2.gz ZZHCVEXDBPUSPS-WBVHZDCISA-N 1 1 343.431 0.417 20 30 ECEDMO Cc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001057603014 772802264 /nfs/dbraw/zinc/80/22/64/772802264.db2.gz ZZHCVEXDBPUSPS-WBVHZDCISA-N 1 1 343.431 0.417 20 30 ECEDMO C=CCC(CC=C)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057636635 772844677 /nfs/dbraw/zinc/84/46/77/772844677.db2.gz VSUBOEBMUQLOCA-INIZCTEOSA-N 1 1 337.464 0.644 20 30 ECEDMO C=CCCC1(C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001057642279 772853457 /nfs/dbraw/zinc/85/34/57/772853457.db2.gz LLAZOVQYPWPECO-UHFFFAOYSA-N 1 1 348.447 0.875 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001057694571 772918603 /nfs/dbraw/zinc/91/86/03/772918603.db2.gz JVYFJFZTQVHMAB-GJZGRUSLSA-N 1 1 339.480 0.724 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057791616 772987510 /nfs/dbraw/zinc/98/75/10/772987510.db2.gz ZRISHMWDIFXCSB-CQSZACIVSA-N 1 1 328.420 0.633 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 ZINC001057873904 773107912 /nfs/dbraw/zinc/10/79/12/773107912.db2.gz NUUVHKIGELBTFF-QGZVFWFLSA-N 1 1 349.475 0.315 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057945690 773245817 /nfs/dbraw/zinc/24/58/17/773245817.db2.gz CUKIFEBEKFFZLA-CYBMUJFWSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001057974388 773320413 /nfs/dbraw/zinc/32/04/13/773320413.db2.gz VLGVALFRCKQRTM-HOTGVXAUSA-N 1 1 337.464 0.907 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001040606833 783092823 /nfs/dbraw/zinc/09/28/23/783092823.db2.gz PBPVBSLBAQINJP-VQIMIIECSA-N 1 1 349.475 0.601 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058177288 773707904 /nfs/dbraw/zinc/70/79/04/773707904.db2.gz VRGNJDMOGWBCBL-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058241265 773828901 /nfs/dbraw/zinc/82/89/01/773828901.db2.gz MWUJXFBZZXAPJO-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)CC[N@H+](C)CCC ZINC001058252421 773845336 /nfs/dbraw/zinc/84/53/36/773845336.db2.gz JIDWVIDJTXDLGJ-UHFFFAOYSA-N 1 1 339.480 0.849 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058257474 773858659 /nfs/dbraw/zinc/85/86/59/773858659.db2.gz XRSIUTSSXAUTTD-HUUCEWRRSA-N 1 1 327.469 0.724 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001058287846 773923218 /nfs/dbraw/zinc/92/32/18/773923218.db2.gz GPYQOZLLFYXAAD-UHFFFAOYSA-N 1 1 336.436 0.731 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058288259 773924008 /nfs/dbraw/zinc/92/40/08/773924008.db2.gz XCAAGBJRIYXNTC-HNNXBMFYSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001058304258 773939029 /nfs/dbraw/zinc/93/90/29/773939029.db2.gz ZVNFXQYSBGMFEM-CQSZACIVSA-N 1 1 348.447 0.910 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cc(C)ncc3C#N)C2)C1 ZINC001058376637 774061105 /nfs/dbraw/zinc/06/11/05/774061105.db2.gz RTCFRACBNKYKGG-NVXWUHKLSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cc(C)ncc3C#N)C2)C1 ZINC001058376637 774061108 /nfs/dbraw/zinc/06/11/08/774061108.db2.gz RTCFRACBNKYKGG-NVXWUHKLSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058381974 774069507 /nfs/dbraw/zinc/06/95/07/774069507.db2.gz ZSFKYYYJBFQJQV-UONOGXRCSA-N 1 1 328.420 0.918 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)C1 ZINC001058480234 774268977 /nfs/dbraw/zinc/26/89/77/774268977.db2.gz FKDYJFQWZISQFL-LSDHHAIUSA-N 1 1 338.452 0.205 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)C1 ZINC001058521120 774352467 /nfs/dbraw/zinc/35/24/67/774352467.db2.gz FJBBUXHGHKJKOY-HIFRSBDPSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)C1 ZINC001058521120 774352475 /nfs/dbraw/zinc/35/24/75/774352475.db2.gz FJBBUXHGHKJKOY-HIFRSBDPSA-N 1 1 344.419 0.152 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CCN(c1cncc(C#N)n1)CC2 ZINC001058627317 774566758 /nfs/dbraw/zinc/56/67/58/774566758.db2.gz NZXWJBWKDFNUIY-LSDHHAIUSA-N 1 1 340.431 0.918 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CCN(c1ccnc(C#N)n1)CC2 ZINC001058627538 774566821 /nfs/dbraw/zinc/56/68/21/774566821.db2.gz VRNKDSHNFZCNEV-UONOGXRCSA-N 1 1 340.431 0.918 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnn(C)n3)C[C@H]2C)cn1 ZINC001044829841 774658234 /nfs/dbraw/zinc/65/82/34/774658234.db2.gz VILAZZPNUDFZSY-IUODEOHRSA-N 1 1 339.403 0.369 20 30 ECEDMO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001039868147 783206602 /nfs/dbraw/zinc/20/66/02/783206602.db2.gz XTIGGMRVUGXYBO-FCEWJHQRSA-N 1 1 349.475 0.600 20 30 ECEDMO CCCn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001044999901 774816815 /nfs/dbraw/zinc/81/68/15/774816815.db2.gz PYYCWKYZRKXNTJ-ZDUSSCGKSA-N 1 1 342.407 0.677 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001045007326 774829588 /nfs/dbraw/zinc/82/95/88/774829588.db2.gz UOVUTRXSXSOEQF-ZIAGYGMSSA-N 1 1 344.415 0.396 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001045064330 774920723 /nfs/dbraw/zinc/92/07/23/774920723.db2.gz PKJPWEZAHBSFGT-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2c[nH]nn2)C1=O ZINC001045206304 775148240 /nfs/dbraw/zinc/14/82/40/775148240.db2.gz IYRUJQILWAVWNC-GJZGRUSLSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2cnn[nH]2)C1=O ZINC001045206304 775148246 /nfs/dbraw/zinc/14/82/46/775148246.db2.gz IYRUJQILWAVWNC-GJZGRUSLSA-N 1 1 346.435 0.105 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001043906328 775274335 /nfs/dbraw/zinc/27/43/35/775274335.db2.gz BVSRRNDKTUJQCJ-KGLIPLIRSA-N 1 1 326.360 0.273 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043910099 775288047 /nfs/dbraw/zinc/28/80/47/775288047.db2.gz OXLCTHQQAYNJIL-UHFFFAOYSA-N 1 1 346.431 0.465 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O ZINC001043991625 775472490 /nfs/dbraw/zinc/47/24/90/775472490.db2.gz CTIFBDLUEDKHEH-OIISXLGYSA-N 1 1 343.431 0.493 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O ZINC001043992767 775475147 /nfs/dbraw/zinc/47/51/47/775475147.db2.gz NIJPDRYLIQEIAJ-OAGGEKHMSA-N 1 1 343.431 0.493 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044007922 775500460 /nfs/dbraw/zinc/50/04/60/775500460.db2.gz ZLCXRJJITYFHEZ-LSDHHAIUSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(C)(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001045390661 775526102 /nfs/dbraw/zinc/52/61/02/775526102.db2.gz TVWOXDDWCXVETF-JKSUJKDBSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(C)(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001045390661 775526106 /nfs/dbraw/zinc/52/61/06/775526106.db2.gz TVWOXDDWCXVETF-JKSUJKDBSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(C)(NC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001045390658 775526227 /nfs/dbraw/zinc/52/62/27/775526227.db2.gz TVWOXDDWCXVETF-CVEARBPZSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(C)(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001045390658 775526234 /nfs/dbraw/zinc/52/62/34/775526234.db2.gz TVWOXDDWCXVETF-CVEARBPZSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccncc3C2)[C@@H](n2ccnn2)C1 ZINC001070025977 790371382 /nfs/dbraw/zinc/37/13/82/790371382.db2.gz VEUOXBMJOMRAMT-OIISXLGYSA-N 1 1 338.415 0.616 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccncc3C2)[C@@H](n2ccnn2)C1 ZINC001070025977 790371391 /nfs/dbraw/zinc/37/13/91/790371391.db2.gz VEUOXBMJOMRAMT-OIISXLGYSA-N 1 1 338.415 0.616 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O ZINC001044192414 775889913 /nfs/dbraw/zinc/88/99/13/775889913.db2.gz XAZJJHCUOHRHDA-PMPSAXMXSA-N 1 1 343.431 0.492 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068493239 790400889 /nfs/dbraw/zinc/40/08/89/790400889.db2.gz LYLQOOMDUKQRMA-JOCQHMNTSA-N 1 1 325.376 0.282 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(C)(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001045639937 775946871 /nfs/dbraw/zinc/94/68/71/775946871.db2.gz VPEUWJMTTLVBEG-JKSUJKDBSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(C)(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001045639937 775946876 /nfs/dbraw/zinc/94/68/76/775946876.db2.gz VPEUWJMTTLVBEG-JKSUJKDBSA-N 1 1 348.491 0.696 20 30 ECEDMO N#CCN1CCC2(CO[C@@H](CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)CC1 ZINC001045685299 776040072 /nfs/dbraw/zinc/04/00/72/776040072.db2.gz VJMCOFRZJCMOHE-APWZRJJASA-N 1 1 346.475 0.983 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)CCC)C2)CCC1 ZINC001044299243 776093937 /nfs/dbraw/zinc/09/39/37/776093937.db2.gz YNSJQNVYWDKPER-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070039606 790418486 /nfs/dbraw/zinc/41/84/86/790418486.db2.gz MSRQUVXNWNSXCH-CABCVRRESA-N 1 1 342.403 0.919 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(Cc3ccccc3C#N)C2)C1 ZINC001044322671 776149186 /nfs/dbraw/zinc/14/91/86/776149186.db2.gz NCZMDTQDLYYUCI-SFHVURJKSA-N 1 1 342.443 0.922 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(Cc3ccccc3C#N)C2)C1 ZINC001044322671 776149197 /nfs/dbraw/zinc/14/91/97/776149197.db2.gz NCZMDTQDLYYUCI-SFHVURJKSA-N 1 1 342.443 0.922 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001044323225 776152837 /nfs/dbraw/zinc/15/28/37/776152837.db2.gz ZAOWYOFHLKYLCD-INIZCTEOSA-N 1 1 348.472 0.983 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001044323225 776152846 /nfs/dbraw/zinc/15/28/46/776152846.db2.gz ZAOWYOFHLKYLCD-INIZCTEOSA-N 1 1 348.472 0.983 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001044460620 776321469 /nfs/dbraw/zinc/32/14/69/776321469.db2.gz VXSVPPLTUKPZMG-UHFFFAOYSA-N 1 1 348.447 0.873 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046750 790441971 /nfs/dbraw/zinc/44/19/71/790441971.db2.gz MHHPQEMQOFEZEV-ZACQAIPSSA-N 1 1 344.463 0.516 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)nn1 ZINC001070051581 790456113 /nfs/dbraw/zinc/45/61/13/790456113.db2.gz CZVZKCYDMPNGFC-OCCSQVGLSA-N 1 1 348.386 0.071 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)nn1 ZINC001070051581 790456119 /nfs/dbraw/zinc/45/61/19/790456119.db2.gz CZVZKCYDMPNGFC-OCCSQVGLSA-N 1 1 348.386 0.071 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001079627139 776549084 /nfs/dbraw/zinc/54/90/84/776549084.db2.gz OAVQVIBHBDXTMS-WQVCFCJDSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001079627139 776549093 /nfs/dbraw/zinc/54/90/93/776549093.db2.gz OAVQVIBHBDXTMS-WQVCFCJDSA-N 1 1 343.431 0.622 20 30 ECEDMO C#CCCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001079641882 776586929 /nfs/dbraw/zinc/58/69/29/776586929.db2.gz DDLYYNIRXLXGHZ-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001079641882 776586937 /nfs/dbraw/zinc/58/69/37/776586937.db2.gz DDLYYNIRXLXGHZ-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079686803 776685932 /nfs/dbraw/zinc/68/59/32/776685932.db2.gz KSUJCYWAUHCSDC-QAPCUYQASA-N 1 1 337.464 0.857 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001079690728 776695651 /nfs/dbraw/zinc/69/56/51/776695651.db2.gz DYVXOLHRIQIBGG-UMVBOHGHSA-N 1 1 331.420 0.775 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001079737983 776781558 /nfs/dbraw/zinc/78/15/58/776781558.db2.gz IQAUGEDKCBPFPP-IBGZPJMESA-N 1 1 329.444 0.945 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079745095 776790285 /nfs/dbraw/zinc/79/02/85/776790285.db2.gz YDRYJDNLMZAXBD-GDBMZVCRSA-N 1 1 349.475 0.814 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079745095 776790292 /nfs/dbraw/zinc/79/02/92/776790292.db2.gz YDRYJDNLMZAXBD-GDBMZVCRSA-N 1 1 349.475 0.814 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070063146 790484488 /nfs/dbraw/zinc/48/44/88/790484488.db2.gz XDJCQOMHAYCMBY-KGLIPLIRSA-N 1 1 328.351 0.491 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070063146 790484493 /nfs/dbraw/zinc/48/44/93/790484493.db2.gz XDJCQOMHAYCMBY-KGLIPLIRSA-N 1 1 328.351 0.491 20 30 ECEDMO CCN(C(=O)Cn1cc[nH+]c1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001079806273 776909110 /nfs/dbraw/zinc/90/91/10/776909110.db2.gz YUJZJKCMYNUJBD-UHFFFAOYSA-N 1 1 340.387 0.764 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001079842880 776964212 /nfs/dbraw/zinc/96/42/12/776964212.db2.gz WHCQDHDXKNSNNL-DAXOMENPSA-N 1 1 346.431 0.749 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001079842880 776964217 /nfs/dbraw/zinc/96/42/17/776964217.db2.gz WHCQDHDXKNSNNL-DAXOMENPSA-N 1 1 346.431 0.749 20 30 ECEDMO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001079861159 776991979 /nfs/dbraw/zinc/99/19/79/776991979.db2.gz ONWHBULDJSHURV-JKSUJKDBSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001079917399 777075271 /nfs/dbraw/zinc/07/52/71/777075271.db2.gz BGCWMMUCJXBROG-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c3c(nn2C)CCC3)[C@@H](n2ccnn2)C1 ZINC001070073592 790512726 /nfs/dbraw/zinc/51/27/26/790512726.db2.gz NVIBSOHILUFOQT-CABCVRRESA-N 1 1 341.419 0.342 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c3c(nn2C)CCC3)[C@@H](n2ccnn2)C1 ZINC001070073592 790512719 /nfs/dbraw/zinc/51/27/19/790512719.db2.gz NVIBSOHILUFOQT-CABCVRRESA-N 1 1 341.419 0.342 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001079981428 777187914 /nfs/dbraw/zinc/18/79/14/777187914.db2.gz RAATZPXYWHAMMN-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CO[C@@H](C)CC)C1 ZINC001080008860 777221015 /nfs/dbraw/zinc/22/10/15/777221015.db2.gz GNVZJXJJPQDOAE-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CO[C@@H](C)CC)C1 ZINC001080008860 777221021 /nfs/dbraw/zinc/22/10/21/777221021.db2.gz GNVZJXJJPQDOAE-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C(C)(C)COC)C1 ZINC001080009326 777222963 /nfs/dbraw/zinc/22/29/63/777222963.db2.gz YVQOSHBQVVEWJH-INIZCTEOSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C(C)(C)COC)C1 ZINC001080009326 777222968 /nfs/dbraw/zinc/22/29/68/777222968.db2.gz YVQOSHBQVVEWJH-INIZCTEOSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080140511 777450905 /nfs/dbraw/zinc/45/09/05/777450905.db2.gz UODUYQBSJLWLRO-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001070086677 790557911 /nfs/dbraw/zinc/55/79/11/790557911.db2.gz HEAMKKJLYCIYNY-ILXRZTDVSA-N 1 1 346.435 0.207 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001043090995 777709329 /nfs/dbraw/zinc/70/93/29/777709329.db2.gz NSHNWBLDAFUKGT-UHFFFAOYSA-N 1 1 334.420 0.662 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043133317 777796740 /nfs/dbraw/zinc/79/67/40/777796740.db2.gz ODSWRIYGYZCFOH-CQSZACIVSA-N 1 1 334.420 0.483 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080414488 777816539 /nfs/dbraw/zinc/81/65/39/777816539.db2.gz MQJOVMUYDGETJC-TZMCWYRMSA-N 1 1 343.431 0.973 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080416972 777820447 /nfs/dbraw/zinc/82/04/47/777820447.db2.gz SUXDHHIBYONAGW-GXTWGEPZSA-N 1 1 343.431 0.973 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080416974 777820788 /nfs/dbraw/zinc/82/07/88/777820788.db2.gz SUXDHHIBYONAGW-OCCSQVGLSA-N 1 1 343.431 0.973 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001080417152 777821424 /nfs/dbraw/zinc/82/14/24/777821424.db2.gz XDCGITNBIVDYBC-TZMCWYRMSA-N 1 1 329.404 0.979 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001080464872 777899231 /nfs/dbraw/zinc/89/92/31/777899231.db2.gz NRFUVVBJCRLRDT-YJBOKZPZSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001080464872 777899238 /nfs/dbraw/zinc/89/92/38/777899238.db2.gz NRFUVVBJCRLRDT-YJBOKZPZSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001080472408 777906065 /nfs/dbraw/zinc/90/60/65/777906065.db2.gz TYLBOQISMYGVPX-TUVASFSCSA-N 1 1 336.436 0.039 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070093966 790581113 /nfs/dbraw/zinc/58/11/13/790581113.db2.gz RHLSOAGWIVAOMH-CVEARBPZSA-N 1 1 343.435 0.778 20 30 ECEDMO CCN(C(=O)C[N@H+]1CCC[C@@H]1C)C1CN(C(=O)CSCC#N)C1 ZINC001080556396 778017685 /nfs/dbraw/zinc/01/76/85/778017685.db2.gz IKSKLYDZWZBVKW-ZDUSSCGKSA-N 1 1 338.477 0.787 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001080556682 778019285 /nfs/dbraw/zinc/01/92/85/778019285.db2.gz QSOQKGRQJNBCRI-KSSFIOAISA-N 1 1 337.464 0.857 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001043235615 778026452 /nfs/dbraw/zinc/02/64/52/778026452.db2.gz WIISETVXMOQGNV-LSDHHAIUSA-N 1 1 335.448 0.659 20 30 ECEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 ZINC001043269879 778076092 /nfs/dbraw/zinc/07/60/92/778076092.db2.gz SJGOLGUWRUAYAE-STQMWFEESA-N 1 1 347.419 0.246 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2C)nn1 ZINC001080589717 778101544 /nfs/dbraw/zinc/10/15/44/778101544.db2.gz HYHORQKLUNEOCY-HZSPNIEDSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2C)nn1 ZINC001080589717 778101548 /nfs/dbraw/zinc/10/15/48/778101548.db2.gz HYHORQKLUNEOCY-HZSPNIEDSA-N 1 1 348.451 0.381 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001043315603 778146960 /nfs/dbraw/zinc/14/69/60/778146960.db2.gz PXFIOMOJAFOADG-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043316078 778147916 /nfs/dbraw/zinc/14/79/16/778147916.db2.gz VTSRTQKAOYNUJR-OAHLLOKOSA-N 1 1 337.464 0.905 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001043414194 778289585 /nfs/dbraw/zinc/28/95/85/778289585.db2.gz JHZCTJPUDNYIHD-GASCZTMLSA-N 1 1 335.448 0.208 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001043451178 778356712 /nfs/dbraw/zinc/35/67/12/778356712.db2.gz ZJWHZCREPNBOAF-INIZCTEOSA-N 1 1 349.475 0.313 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001043531350 778480482 /nfs/dbraw/zinc/48/04/82/778480482.db2.gz RMCHFARZHZYQMJ-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2nn(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070109099 790633187 /nfs/dbraw/zinc/63/31/87/790633187.db2.gz FJEAIFOFVBTFOR-KGLIPLIRSA-N 1 1 344.423 0.429 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)C#CC3CC3)C2)O1 ZINC001068586614 790637784 /nfs/dbraw/zinc/63/77/84/790637784.db2.gz HCZOEHIQJUZYBM-INIZCTEOSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001043657563 778677006 /nfs/dbraw/zinc/67/70/06/778677006.db2.gz AWZQVRXIEOKVIF-OAHLLOKOSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001043766714 778834654 /nfs/dbraw/zinc/83/46/54/778834654.db2.gz KAVUWMUBNUJUGZ-CABCVRRESA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001043766714 778834659 /nfs/dbraw/zinc/83/46/59/778834659.db2.gz KAVUWMUBNUJUGZ-CABCVRRESA-N 1 1 349.475 0.456 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070115925 790657320 /nfs/dbraw/zinc/65/73/20/790657320.db2.gz DZMIRYBYGFDUJO-XHSDSOJGSA-N 1 1 343.431 0.460 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043772957 778849782 /nfs/dbraw/zinc/84/97/82/778849782.db2.gz IAEZAWQDELSPSC-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CCCC1 ZINC001043825283 778919476 /nfs/dbraw/zinc/91/94/76/778919476.db2.gz ZDRYIHWRQYEAPZ-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070121797 790680143 /nfs/dbraw/zinc/68/01/43/790680143.db2.gz BFMSKQXVKKJZMH-HNNXBMFYSA-N 1 1 335.448 0.523 20 30 ECEDMO CC#CCCCC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070123078 790687887 /nfs/dbraw/zinc/68/78/87/790687887.db2.gz FFHGJTPLKLLVGR-MRXNPFEDSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]21 ZINC001042282619 779980507 /nfs/dbraw/zinc/98/05/07/779980507.db2.gz FDQYSXPPWNTBRJ-UKRRQHHQSA-N 1 1 344.415 0.685 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)C[C@@H]21 ZINC001042308684 780044129 /nfs/dbraw/zinc/04/41/29/780044129.db2.gz YBVABHWDQCPPBT-YOEHRIQHSA-N 1 1 343.431 0.799 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 ZINC001042311282 780049172 /nfs/dbraw/zinc/04/91/72/780049172.db2.gz IIXXSDJFEISREQ-CABCVRRESA-N 1 1 348.447 0.769 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC)[C@@H]3C2)nc1 ZINC001042316678 780061347 /nfs/dbraw/zinc/06/13/47/780061347.db2.gz QWNUBVSKBQNCAU-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC)[C@@H]3C2)nc1 ZINC001042316678 780061354 /nfs/dbraw/zinc/06/13/54/780061354.db2.gz QWNUBVSKBQNCAU-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001042380708 780176522 /nfs/dbraw/zinc/17/65/22/780176522.db2.gz WKOCTMYNYNUHJZ-CJNGLKHVSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]21 ZINC001042388352 780192135 /nfs/dbraw/zinc/19/21/35/780192135.db2.gz NTUHHGPKEJSUBC-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)ncn1 ZINC001070160735 790790462 /nfs/dbraw/zinc/79/04/62/790790462.db2.gz CKWIURQEISMQNX-DFBGVHRSSA-N 1 1 340.391 0.078 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001078896533 780593100 /nfs/dbraw/zinc/59/31/00/780593100.db2.gz OKXPXRQQLMIPLY-SJORKVTESA-N 1 1 349.475 0.816 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001078896533 780593106 /nfs/dbraw/zinc/59/31/06/780593106.db2.gz OKXPXRQQLMIPLY-SJORKVTESA-N 1 1 349.475 0.816 20 30 ECEDMO CN(C(=O)C#CC1CC1)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001078949927 780644543 /nfs/dbraw/zinc/64/45/43/780644543.db2.gz AIYHBGSEKUAZLA-IAGOWNOFSA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C(=O)C#CC1CC1)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001078949927 780644549 /nfs/dbraw/zinc/64/45/49/780644549.db2.gz AIYHBGSEKUAZLA-IAGOWNOFSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001078962282 780656838 /nfs/dbraw/zinc/65/68/38/780656838.db2.gz NRWDOLSNTMDVTI-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO CN(c1ccc(C#N)nn1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001068656756 790818257 /nfs/dbraw/zinc/81/82/57/790818257.db2.gz BUCMVOBEBFJMKC-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(c1nccnc1C#N)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001068657388 790820652 /nfs/dbraw/zinc/82/06/52/790820652.db2.gz RWHNKKLFTBIOIK-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079146880 780813094 /nfs/dbraw/zinc/81/30/94/780813094.db2.gz MIJHQIAAWWISMT-IPMKNSEASA-N 1 1 341.455 0.645 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042801846 780846656 /nfs/dbraw/zinc/84/66/56/780846656.db2.gz WKWALQYXRNBKGQ-HNNXBMFYSA-N 1 1 335.448 0.352 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001042805631 780854230 /nfs/dbraw/zinc/85/42/30/780854230.db2.gz QYYAFPVLQRNTNC-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001042807357 780858152 /nfs/dbraw/zinc/85/81/52/780858152.db2.gz QZOHDDCYISUAID-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001042835422 780913803 /nfs/dbraw/zinc/91/38/03/780913803.db2.gz GQUJMKOWSSDLQB-ARFHVFGLSA-N 1 1 343.431 0.533 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001042835819 780914473 /nfs/dbraw/zinc/91/44/73/780914473.db2.gz NACUMEQEWDXCAJ-XNRPHZJLSA-N 1 1 329.404 0.225 20 30 ECEDMO CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042860742 780954905 /nfs/dbraw/zinc/95/49/05/780954905.db2.gz HUXCMHFFUUDLMS-NWANDNLSSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H](NCC#N)C2)C1 ZINC001079289048 780964406 /nfs/dbraw/zinc/96/44/06/780964406.db2.gz NBRLNPCPLTWILQ-USXIJHARSA-N 1 1 346.406 0.564 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H](NCC#N)C2)C1 ZINC001079289048 780964410 /nfs/dbraw/zinc/96/44/10/780964410.db2.gz NBRLNPCPLTWILQ-USXIJHARSA-N 1 1 346.406 0.564 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001042939580 781070462 /nfs/dbraw/zinc/07/04/62/781070462.db2.gz CCXXZZSMLHPJHG-MRXNPFEDSA-N 1 1 349.475 0.313 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)on3)C2)C1=O ZINC001079394252 781070753 /nfs/dbraw/zinc/07/07/53/781070753.db2.gz NJBVONFYPSJRDE-KCPJHIHWSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)on3)C2)C1=O ZINC001079394252 781070760 /nfs/dbraw/zinc/07/07/60/781070760.db2.gz NJBVONFYPSJRDE-KCPJHIHWSA-N 1 1 332.404 0.820 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CC(=O)NC2CCCC2)C1 ZINC001042959738 781101199 /nfs/dbraw/zinc/10/11/99/781101199.db2.gz ALFSGYPEOUMGED-KRWDZBQOSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CC(=O)NC2CCCC2)C1 ZINC001042959738 781101202 /nfs/dbraw/zinc/10/12/02/781101202.db2.gz ALFSGYPEOUMGED-KRWDZBQOSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccnc(OC)c2)C1 ZINC001042960734 781103307 /nfs/dbraw/zinc/10/33/07/781103307.db2.gz TZNYAVBDNWENLU-KRWDZBQOSA-N 1 1 342.443 0.830 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccnc(OC)c2)C1 ZINC001042960734 781103313 /nfs/dbraw/zinc/10/33/13/781103313.db2.gz TZNYAVBDNWENLU-KRWDZBQOSA-N 1 1 342.443 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2cnccn2)C1 ZINC001042960749 781103552 /nfs/dbraw/zinc/10/35/52/781103552.db2.gz UFLHHLMTFSTQGU-PBHICJAKSA-N 1 1 327.432 0.778 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2cnccn2)C1 ZINC001042960749 781103555 /nfs/dbraw/zinc/10/35/55/781103555.db2.gz UFLHHLMTFSTQGU-PBHICJAKSA-N 1 1 327.432 0.778 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001042973884 781122502 /nfs/dbraw/zinc/12/25/02/781122502.db2.gz CWYDBNWRXOHEBD-NWANDNLSSA-N 1 1 344.419 0.010 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042977344 781127975 /nfs/dbraw/zinc/12/79/75/781127975.db2.gz IYSXMWCFIBCKTE-YSVLISHTSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043060880 781258549 /nfs/dbraw/zinc/25/85/49/781258549.db2.gz XDTFPKYCMQNPOL-CABCVRRESA-N 1 1 335.448 0.517 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001043067570 781267803 /nfs/dbraw/zinc/26/78/03/781267803.db2.gz FTFVARFYPMLVDE-UHFFFAOYSA-N 1 1 334.420 0.483 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079599074 781305168 /nfs/dbraw/zinc/30/51/68/781305168.db2.gz YALHOTYZSNIMBL-OLMNPRSZSA-N 1 1 342.443 0.825 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041367136 781364335 /nfs/dbraw/zinc/36/43/35/781364335.db2.gz DFHYSYAZAGQZJX-XHDPSFHLSA-N 1 1 340.811 0.261 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041367136 781364342 /nfs/dbraw/zinc/36/43/42/781364342.db2.gz DFHYSYAZAGQZJX-XHDPSFHLSA-N 1 1 340.811 0.261 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001077633163 781390570 /nfs/dbraw/zinc/39/05/70/781390570.db2.gz FLAMUYBNNVDHJO-DZGCQCFKSA-N 1 1 328.416 0.639 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CSCC#N ZINC001077657376 781442031 /nfs/dbraw/zinc/44/20/31/781442031.db2.gz ZIIRMMGYGRKWER-ZDUSSCGKSA-N 1 1 328.482 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3nnc(-c4ccco4)n3)C2)C1 ZINC001041431094 781494999 /nfs/dbraw/zinc/49/49/99/781494999.db2.gz IIFYCAQUDSUSBW-QGZVFWFLSA-N 1 1 340.387 0.491 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(N(C)c2cnc(C#N)cn2)CC1 ZINC001068680884 790883803 /nfs/dbraw/zinc/88/38/03/790883803.db2.gz VQPNNTOOUDBYFE-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC001041442481 781523469 /nfs/dbraw/zinc/52/34/69/781523469.db2.gz KQHFYCCYTAHPMX-GOSISDBHSA-N 1 1 328.416 0.685 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNc2nccnc2C#N)C1 ZINC001041482537 781605355 /nfs/dbraw/zinc/60/53/55/781605355.db2.gz NWGWEXHPCKEJSW-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC001041499975 781638345 /nfs/dbraw/zinc/63/83/45/781638345.db2.gz ZUJOZABGGXVZGM-YJBOKZPZSA-N 1 1 343.431 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nc(C)nn4C3)C2)C1 ZINC001041503072 781645841 /nfs/dbraw/zinc/64/58/41/781645841.db2.gz LDGAUTUJDVVTER-MAUKXSAKSA-N 1 1 327.432 0.707 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001041504921 781651011 /nfs/dbraw/zinc/65/10/11/781651011.db2.gz HJFSOKFHUALRDC-YOEHRIQHSA-N 1 1 343.431 0.934 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)cc1 ZINC001077797977 781713249 /nfs/dbraw/zinc/71/32/49/781713249.db2.gz SHCXHAFOKDGACH-BMGDILEWSA-N 1 1 344.411 0.510 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001077808630 781734092 /nfs/dbraw/zinc/73/40/92/781734092.db2.gz UDJFLTPQMSNPBX-BSDSXHPESA-N 1 1 328.412 0.983 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001077820883 781755904 /nfs/dbraw/zinc/75/59/04/781755904.db2.gz PCOLGPVSUXFHMC-TVFCKZIOSA-N 1 1 328.412 0.949 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001077835282 781793430 /nfs/dbraw/zinc/79/34/30/781793430.db2.gz HEZWSKAOSMFSNB-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001041599622 781828143 /nfs/dbraw/zinc/82/81/43/781828143.db2.gz ISWHFUHPVDXKQD-KBXCAEBGSA-N 1 1 327.432 0.478 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001077903321 781908218 /nfs/dbraw/zinc/90/82/18/781908218.db2.gz XWNNNYQGEGRBMS-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001040813717 783490873 /nfs/dbraw/zinc/49/08/73/783490873.db2.gz BHKZMLWSTPZZIG-BEFAXECRSA-N 1 1 349.475 0.907 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4nccnc4C#N)C[C@H]32)C1 ZINC001040824499 783512060 /nfs/dbraw/zinc/51/20/60/783512060.db2.gz AFALWXWUXBLMSE-OFQRWUPVSA-N 1 1 340.431 0.727 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1 ZINC001040824846 783513106 /nfs/dbraw/zinc/51/31/06/783513106.db2.gz FPBQVWSTNBWXDW-IJEWVQPXSA-N 1 1 340.431 0.727 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001070206141 783655659 /nfs/dbraw/zinc/65/56/59/783655659.db2.gz IOJFYCNMMZAKKN-OAGGEKHMSA-N 1 1 330.436 0.127 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001070206141 783655662 /nfs/dbraw/zinc/65/56/62/783655662.db2.gz IOJFYCNMMZAKKN-OAGGEKHMSA-N 1 1 330.436 0.127 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 ZINC001070232060 783706290 /nfs/dbraw/zinc/70/62/90/783706290.db2.gz BMBMJKYVYCEZRC-LBPRGKRZSA-N 1 1 333.392 0.133 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070254174 783749095 /nfs/dbraw/zinc/74/90/95/783749095.db2.gz BWZIXOKTSLKEHZ-ZBFHGGJFSA-N 1 1 347.459 0.379 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC001070254755 783751917 /nfs/dbraw/zinc/75/19/17/783751917.db2.gz WIJPIAIJULCBEU-UONOGXRCSA-N 1 1 336.436 0.269 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@H](CC)C2)CC1 ZINC001037981125 783753516 /nfs/dbraw/zinc/75/35/16/783753516.db2.gz CCSKFMHKNLOZIV-ZBFHGGJFSA-N 1 1 334.464 0.034 20 30 ECEDMO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001070382798 783920537 /nfs/dbraw/zinc/92/05/37/783920537.db2.gz RKOFYUFIYWHDLE-JZXOWHBKSA-N 1 1 346.475 0.047 20 30 ECEDMO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001070382798 783920543 /nfs/dbraw/zinc/92/05/43/783920543.db2.gz RKOFYUFIYWHDLE-JZXOWHBKSA-N 1 1 346.475 0.047 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ncn(C)n2)C1 ZINC001070385138 783927165 /nfs/dbraw/zinc/92/71/65/783927165.db2.gz CLVFENFRXAKRSB-AWEZNQCLSA-N 1 1 342.403 0.779 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nccnc2N)C1 ZINC001070400892 783969603 /nfs/dbraw/zinc/96/96/03/783969603.db2.gz FWQVDWWIICFSDY-GFCCVEGCSA-N 1 1 339.403 0.525 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001070403233 783977741 /nfs/dbraw/zinc/97/77/41/783977741.db2.gz OBBOPUNSOVCUIC-KBPBESRZSA-N 1 1 343.431 0.365 20 30 ECEDMO N#Cc1ccc(C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCO)C2)[nH]1 ZINC001070404835 783982289 /nfs/dbraw/zinc/98/22/89/783982289.db2.gz QIYKXJOFLWYNLZ-NSHDSACASA-N 1 1 328.376 0.321 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2C)C1 ZINC001070405022 783983328 /nfs/dbraw/zinc/98/33/28/783983328.db2.gz WUMIRYOSJXYEPW-UKRRQHHQSA-N 1 1 333.436 0.332 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001070406114 783986417 /nfs/dbraw/zinc/98/64/17/783986417.db2.gz MBBJEKCMKVPGCN-AWEZNQCLSA-N 1 1 345.447 0.870 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001070407386 783990207 /nfs/dbraw/zinc/99/02/07/783990207.db2.gz DZVQUBCDRSMVNB-AAEUAGOBSA-N 1 1 333.392 0.500 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001070412549 784005474 /nfs/dbraw/zinc/00/54/74/784005474.db2.gz CWDYEWOJQNSUAC-UKRRQHHQSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001070413966 784010461 /nfs/dbraw/zinc/01/04/61/784010461.db2.gz AHJBLHPGZSTJSI-CYBMUJFWSA-N 1 1 339.399 0.461 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(OC)n(C)n2)C1 ZINC001070417107 784020389 /nfs/dbraw/zinc/02/03/89/784020389.db2.gz ULXGZPWMZMPWIP-GFCCVEGCSA-N 1 1 342.403 0.504 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nnn(C)n2)C1 ZINC001070420197 784027505 /nfs/dbraw/zinc/02/75/05/784027505.db2.gz SKMISYOHGPMALU-LBPRGKRZSA-N 1 1 344.423 0.619 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nnn(C)n2)C1 ZINC001070420210 784029053 /nfs/dbraw/zinc/02/90/53/784029053.db2.gz SRIVHWIADOYIHF-LLVKDONJSA-N 1 1 330.396 0.229 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001070422574 784034414 /nfs/dbraw/zinc/03/44/14/784034414.db2.gz CKWMMUMRXDEXTO-WCQYABFASA-N 1 1 332.408 0.073 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001070424909 784040781 /nfs/dbraw/zinc/04/07/81/784040781.db2.gz XARNSVHCYYWGHP-LLVKDONJSA-N 1 1 342.403 0.742 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cccn(C)c2=O)C1 ZINC001070432551 784057123 /nfs/dbraw/zinc/05/71/23/784057123.db2.gz KAMZNCKDKACJFB-ZDUSSCGKSA-N 1 1 339.399 0.461 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001070434118 784061350 /nfs/dbraw/zinc/06/13/50/784061350.db2.gz MUIJMSQSJFTNCJ-GOEBONIOSA-N 1 1 347.463 0.722 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)[C@@H](C)OC)C[C@H]2c1nnc(C)[nH]1 ZINC001070440809 784079104 /nfs/dbraw/zinc/07/91/04/784079104.db2.gz MRKCPJRIDOBVDQ-OCCSQVGLSA-N 1 1 333.436 0.952 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001070905540 784087069 /nfs/dbraw/zinc/08/70/69/784087069.db2.gz BKNUPNIGESBOLJ-CFVMTHIKSA-N 1 1 345.403 0.705 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001070905540 784087073 /nfs/dbraw/zinc/08/70/73/784087073.db2.gz BKNUPNIGESBOLJ-CFVMTHIKSA-N 1 1 345.403 0.705 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001070905540 784087082 /nfs/dbraw/zinc/08/70/82/784087082.db2.gz BKNUPNIGESBOLJ-CFVMTHIKSA-N 1 1 345.403 0.705 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ccon1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442805 784087410 /nfs/dbraw/zinc/08/74/10/784087410.db2.gz PQIOSLONSYAWNW-GFCCVEGCSA-N 1 1 328.376 0.829 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070443189 784089054 /nfs/dbraw/zinc/08/90/54/784089054.db2.gz ZWCDCZCACLHCLF-HUUCEWRRSA-N 1 1 345.447 0.954 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H](O)C(C)C)C[C@H]2c1nnc(C)[nH]1 ZINC001070445045 784096992 /nfs/dbraw/zinc/09/69/92/784096992.db2.gz ZTOPIANLLUVECX-UONOGXRCSA-N 1 1 333.436 0.544 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001070921910 784120514 /nfs/dbraw/zinc/12/05/14/784120514.db2.gz SKXFZMNUNVAYCB-SJORKVTESA-N 1 1 329.444 0.851 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001070921910 784120517 /nfs/dbraw/zinc/12/05/17/784120517.db2.gz SKXFZMNUNVAYCB-SJORKVTESA-N 1 1 329.444 0.851 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(C)c2)CC1 ZINC001070944591 784184800 /nfs/dbraw/zinc/18/48/00/784184800.db2.gz DYMSRTBDWPHNSA-UHFFFAOYSA-N 1 1 333.436 0.189 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)n(C)n2)CC1 ZINC001070945009 784186435 /nfs/dbraw/zinc/18/64/35/784186435.db2.gz SZNMSIVJURPKKD-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)n(C)n2)CC1 ZINC001070945009 784186439 /nfs/dbraw/zinc/18/64/39/784186439.db2.gz SZNMSIVJURPKKD-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(C)c2nccnc2C#N)CC1 ZINC001068727029 791005329 /nfs/dbraw/zinc/00/53/29/791005329.db2.gz BNMKXDWDEZALGF-DZGCQCFKSA-N 1 1 342.447 0.973 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C2CCC(O)CC2)CC1 ZINC001070958635 784228623 /nfs/dbraw/zinc/22/86/23/784228623.db2.gz KRNDACVOUXNSRI-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2n[nH]cc2C)CC1 ZINC001070963494 784243853 /nfs/dbraw/zinc/24/38/53/784243853.db2.gz UMISOARBZPZSHG-UHFFFAOYSA-N 1 1 333.436 0.948 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2ccnn2C)CC1 ZINC001070964318 784246744 /nfs/dbraw/zinc/24/67/44/784246744.db2.gz CQMLNCXFGULWLJ-HNNXBMFYSA-N 1 1 345.447 0.197 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2ccnn2C)CC1 ZINC001070964318 784246747 /nfs/dbraw/zinc/24/67/47/784246747.db2.gz CQMLNCXFGULWLJ-HNNXBMFYSA-N 1 1 345.447 0.197 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2ccnn2C)CC1 ZINC001070964737 784249901 /nfs/dbraw/zinc/24/99/01/784249901.db2.gz WXFOZIWNKOYPFQ-HNNXBMFYSA-N 1 1 347.463 0.750 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccnn2C)CC1 ZINC001070967858 784257886 /nfs/dbraw/zinc/25/78/86/784257886.db2.gz AJNPDSMWSAZFOK-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070554465 784266371 /nfs/dbraw/zinc/26/63/71/784266371.db2.gz RIKFICSABGIJQT-RBSFLKMASA-N 1 1 339.436 0.015 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070554465 784266378 /nfs/dbraw/zinc/26/63/78/784266378.db2.gz RIKFICSABGIJQT-RBSFLKMASA-N 1 1 339.436 0.015 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070971888 784276031 /nfs/dbraw/zinc/27/60/31/784276031.db2.gz XTWLFOWJIFZWNP-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cn2nccc2C)CC1 ZINC001071005667 784385431 /nfs/dbraw/zinc/38/54/31/784385431.db2.gz CMKVVIMPXQNPGJ-UHFFFAOYSA-N 1 1 347.463 0.808 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cscn2)CC1 ZINC001071007788 784392909 /nfs/dbraw/zinc/39/29/09/784392909.db2.gz WWRVXVNSKOWUND-UHFFFAOYSA-N 1 1 334.445 0.359 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cscn2)CC1 ZINC001071007788 784392916 /nfs/dbraw/zinc/39/29/16/784392916.db2.gz WWRVXVNSKOWUND-UHFFFAOYSA-N 1 1 334.445 0.359 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)COc2cccnc2)CC1 ZINC001071008009 784394839 /nfs/dbraw/zinc/39/48/39/784394839.db2.gz CPJDHXLATIFSEM-UHFFFAOYSA-N 1 1 346.431 0.687 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CCC=C)CC2)cn1 ZINC001071016708 784427236 /nfs/dbraw/zinc/42/72/36/784427236.db2.gz ROAOAXOOZSYNSD-UHFFFAOYSA-N 1 1 340.427 0.903 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CCC=C)CC2)cn1 ZINC001071016708 784427238 /nfs/dbraw/zinc/42/72/38/784427238.db2.gz ROAOAXOOZSYNSD-UHFFFAOYSA-N 1 1 340.427 0.903 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC001071017290 784429576 /nfs/dbraw/zinc/42/95/76/784429576.db2.gz QAQABKDQZSKUPM-UHFFFAOYSA-N 1 1 343.427 0.983 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC001071017290 784429582 /nfs/dbraw/zinc/42/95/82/784429582.db2.gz QAQABKDQZSKUPM-UHFFFAOYSA-N 1 1 343.427 0.983 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001070624357 784453605 /nfs/dbraw/zinc/45/36/05/784453605.db2.gz KNSSHKYXWQVHJW-CQSZACIVSA-N 1 1 331.420 0.947 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 ZINC001071072395 784517109 /nfs/dbraw/zinc/51/71/09/784517109.db2.gz BDBYWAHOIOZPED-WBVHZDCISA-N 1 1 331.420 0.701 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1c1cncn1C ZINC001070685728 784550731 /nfs/dbraw/zinc/55/07/31/784550731.db2.gz PKKCPMKGTNRJMR-VXGBXAGGSA-N 1 1 330.392 0.243 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 ZINC001071144169 784596589 /nfs/dbraw/zinc/59/65/89/784596589.db2.gz IMCSRRBBDAILFY-DZGCQCFKSA-N 1 1 330.450 0.299 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001070725631 784601027 /nfs/dbraw/zinc/60/10/27/784601027.db2.gz OLUPGYKZGFKBTD-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001070729260 784612688 /nfs/dbraw/zinc/61/26/88/784612688.db2.gz FITIFXMXLMRTJE-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1nnc[nH]1)C[C@H](C)O2 ZINC001071152067 784613030 /nfs/dbraw/zinc/61/30/30/784613030.db2.gz RFIWFBOMLMCKRR-YOEHRIQHSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@H](C)O2 ZINC001071152067 784613034 /nfs/dbraw/zinc/61/30/34/784613034.db2.gz RFIWFBOMLMCKRR-YOEHRIQHSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@H](C)O2 ZINC001071152067 784613038 /nfs/dbraw/zinc/61/30/38/784613038.db2.gz RFIWFBOMLMCKRR-YOEHRIQHSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001070730631 784616913 /nfs/dbraw/zinc/61/69/13/784616913.db2.gz NDISQIVMSVLASE-OAHLLOKOSA-N 1 1 332.404 0.339 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cc(C)n[nH]1)C[C@H](C)O2 ZINC001071154969 784616996 /nfs/dbraw/zinc/61/69/96/784616996.db2.gz SLMFNLRNBFJNSI-MAUKXSAKSA-N 1 1 330.432 0.976 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccnn1C)C[C@H](C)O2 ZINC001071164170 784636642 /nfs/dbraw/zinc/63/66/42/784636642.db2.gz IGTPBAREAGNCQZ-MAUKXSAKSA-N 1 1 330.432 0.678 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@H](C)O2 ZINC001071166834 784642505 /nfs/dbraw/zinc/64/25/05/784642505.db2.gz ORRBMBIGJDFTKN-SUMWQHHRSA-N 1 1 333.436 0.924 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1ccn(C)n1)C[C@H](C)O2 ZINC001071171547 784653998 /nfs/dbraw/zinc/65/39/98/784653998.db2.gz ONUGMZKOTRZCEV-YJBOKZPZSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn(C)c1C)C[C@H](C)O2 ZINC001071172947 784657279 /nfs/dbraw/zinc/65/72/79/784657279.db2.gz CCROPUZTLHHINH-KXBFYZLASA-N 1 1 344.459 0.986 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1C)C[C@H](C)O2 ZINC001071173825 784659985 /nfs/dbraw/zinc/65/99/85/784659985.db2.gz OBNSIOIDFZYQPK-HNAYVOBHSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc(C3CC3)nn1)C[C@@H](C)O2 ZINC001071176593 784666358 /nfs/dbraw/zinc/66/63/58/784666358.db2.gz XYRUANMSPVBESQ-RDTXWAMCSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@H](C)O2 ZINC001071177454 784668366 /nfs/dbraw/zinc/66/83/66/784668366.db2.gz AIIAGJVYKZWXHM-KBXCAEBGSA-N 1 1 344.415 0.109 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)C[C@@H](C)O2 ZINC001071181712 784681431 /nfs/dbraw/zinc/68/14/31/784681431.db2.gz ZTDUIELKCZFGKS-XIKOKIGWSA-N 1 1 346.431 0.878 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@H](C)O2 ZINC001071183563 784684432 /nfs/dbraw/zinc/68/44/32/784684432.db2.gz QBIBHGCJBSSNSR-KXBFYZLASA-N 1 1 343.427 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@H](C)O2 ZINC001071188840 784692811 /nfs/dbraw/zinc/69/28/11/784692811.db2.gz BTIVWFCPHIAJSE-SJCJKPOMSA-N 1 1 333.388 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cc(C)nn1C)C[C@@H](C)O2 ZINC001071189545 784695836 /nfs/dbraw/zinc/69/58/36/784695836.db2.gz MGEZFPSJZPUIPN-QAPCUYQASA-N 1 1 330.432 0.596 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001071207200 784738205 /nfs/dbraw/zinc/73/82/05/784738205.db2.gz WQNGXVXAKNILOE-ACJLOTCBSA-N 1 1 342.399 0.235 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cc1OC)C[C@H](C)O2 ZINC001071211838 784746997 /nfs/dbraw/zinc/74/69/97/784746997.db2.gz OOBARHATGODVPT-UGSOOPFHSA-N 1 1 345.399 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(OC)cc[nH]c1=O)C[C@H](C)O2 ZINC001071227944 784788159 /nfs/dbraw/zinc/78/81/59/784788159.db2.gz MODROXMZZXDTJU-SCLBCKFNSA-N 1 1 345.399 0.734 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nccnc1C(N)=O)C[C@@H](C)O2 ZINC001071238936 784808646 /nfs/dbraw/zinc/80/86/46/784808646.db2.gz UEMKFRPFJKCTHG-PXAZEXFGSA-N 1 1 345.403 0.067 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CCC1=O)C[C@H](C)O2 ZINC001071239123 784810489 /nfs/dbraw/zinc/81/04/89/784810489.db2.gz WNHITXKOEWTHSZ-SUMWQHHRSA-N 1 1 335.404 0.013 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@@H](C)O2 ZINC001071244530 784821678 /nfs/dbraw/zinc/82/16/78/784821678.db2.gz WOZOICVJYZSUDN-CRAIPNDOSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@@H](C)O2 ZINC001071246630 784828436 /nfs/dbraw/zinc/82/84/36/784828436.db2.gz YRZBZCMQQASBGY-CXAGYDPISA-N 1 1 331.420 0.545 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@@H](C)O2 ZINC001071246630 784828443 /nfs/dbraw/zinc/82/84/43/784828443.db2.gz YRZBZCMQQASBGY-CXAGYDPISA-N 1 1 331.420 0.545 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)nc1)C[C@H](C)O2 ZINC001071248824 784831763 /nfs/dbraw/zinc/83/17/63/784831763.db2.gz UEASRXHPJUAZKE-SCLBCKFNSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cnco3)C2)C(=O)C1 ZINC001071270344 784900377 /nfs/dbraw/zinc/90/03/77/784900377.db2.gz BYFBAYHSAVIDQM-CQSZACIVSA-N 1 1 332.404 1.000 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cnco3)C2)C(=O)C1 ZINC001071270344 784900380 /nfs/dbraw/zinc/90/03/80/784900380.db2.gz BYFBAYHSAVIDQM-CQSZACIVSA-N 1 1 332.404 1.000 20 30 ECEDMO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001068756799 791078193 /nfs/dbraw/zinc/07/81/93/791078193.db2.gz HTWPVBKYZYCRHF-AWEZNQCLSA-N 1 1 335.448 0.923 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001071779184 785092785 /nfs/dbraw/zinc/09/27/85/785092785.db2.gz FYGUPDOPEVBKBO-JSGCOSHPSA-N 1 1 330.388 0.543 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001071779183 785093586 /nfs/dbraw/zinc/09/35/86/785093586.db2.gz FYGUPDOPEVBKBO-GXTWGEPZSA-N 1 1 330.388 0.543 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001071808706 785136835 /nfs/dbraw/zinc/13/68/35/785136835.db2.gz KNNDQVPQNSZLET-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001071810915 785139564 /nfs/dbraw/zinc/13/95/64/785139564.db2.gz FILDAXJXTJXNOI-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC[C@@H]1C ZINC001071834725 785190517 /nfs/dbraw/zinc/19/05/17/785190517.db2.gz BVGAWKCHEVMYPM-UONOGXRCSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C ZINC001071859756 785232977 /nfs/dbraw/zinc/23/29/77/785232977.db2.gz DKLFWCKOBDNIIS-OLZOCXBDSA-N 1 1 334.420 0.243 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1C ZINC001071862635 785236072 /nfs/dbraw/zinc/23/60/72/785236072.db2.gz YDNXROXKVDYXJW-KBPBESRZSA-N 1 1 344.419 0.436 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001071890746 785278733 /nfs/dbraw/zinc/27/87/33/785278733.db2.gz RDSUDTDTJCQIAP-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001071890746 785278739 /nfs/dbraw/zinc/27/87/39/785278739.db2.gz RDSUDTDTJCQIAP-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C ZINC001071548745 785285038 /nfs/dbraw/zinc/28/50/38/785285038.db2.gz LCKYAJYDCYYZHE-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071548744 785285096 /nfs/dbraw/zinc/28/50/96/785285096.db2.gz LCKYAJYDCYYZHE-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001071921655 785339303 /nfs/dbraw/zinc/33/93/03/785339303.db2.gz JMDDKETVYLFZKX-DOMZBBRYSA-N 1 1 331.420 0.805 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@H]1C ZINC001071968519 785437674 /nfs/dbraw/zinc/43/76/74/785437674.db2.gz VYKLZTVDFRRRRN-CABCVRRESA-N 1 1 345.447 0.374 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@@H]1C ZINC001071968631 785438037 /nfs/dbraw/zinc/43/80/37/785438037.db2.gz WHIBPDQYOLXQHG-LSDHHAIUSA-N 1 1 347.463 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCn3cncn3)C2)cn1 ZINC001072001754 785507701 /nfs/dbraw/zinc/50/77/01/785507701.db2.gz GJMIFGRNCWHPQM-YOEHRIQHSA-N 1 1 338.415 0.937 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)CC[C@@H]1C ZINC001072001530 785508187 /nfs/dbraw/zinc/50/81/87/785508187.db2.gz DSEXIONELFDOIK-WCQYABFASA-N 1 1 325.368 0.786 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)CC[C@@H]1C ZINC001072001530 785508193 /nfs/dbraw/zinc/50/81/93/785508193.db2.gz DSEXIONELFDOIK-WCQYABFASA-N 1 1 325.368 0.786 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@H]1C ZINC001071700970 785554795 /nfs/dbraw/zinc/55/47/95/785554795.db2.gz AETBESJCHHLICX-ZIAGYGMSSA-N 1 1 339.403 0.663 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072283459 785971099 /nfs/dbraw/zinc/97/10/99/785971099.db2.gz SILXLLJPCBZLEY-QWHCGFSZSA-N 1 1 326.466 0.546 20 30 ECEDMO C=CCN1CC[C@H](N2CCC3(CN(C(=O)[C@H]4CCC[N@H+]4C)C3)C2)C1=O ZINC001072553642 786358527 /nfs/dbraw/zinc/35/85/27/786358527.db2.gz GGZXUPRMGBXRAV-CVEARBPZSA-N 1 1 346.475 0.402 20 30 ECEDMO C=CCN1CC[C@H](N2CCC3(CN(C(=O)[C@H]4CCC[N@@H+]4C)C3)C2)C1=O ZINC001072553642 786358532 /nfs/dbraw/zinc/35/85/32/786358532.db2.gz GGZXUPRMGBXRAV-CVEARBPZSA-N 1 1 346.475 0.402 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001072555116 786363082 /nfs/dbraw/zinc/36/30/82/786363082.db2.gz LNKUJOBWXGOVDX-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001074239473 786484920 /nfs/dbraw/zinc/48/49/20/786484920.db2.gz GCMIHCYEPWSHRI-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@H]21 ZINC001074266576 786546998 /nfs/dbraw/zinc/54/69/98/786546998.db2.gz MWWAAKXBOZIDAZ-CABCVRRESA-N 1 1 332.404 0.767 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@H]21 ZINC001074266576 786547001 /nfs/dbraw/zinc/54/70/01/786547001.db2.gz MWWAAKXBOZIDAZ-CABCVRRESA-N 1 1 332.404 0.767 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 ZINC001074268207 786550726 /nfs/dbraw/zinc/55/07/26/786550726.db2.gz GMMGVAZHQXKBAP-HOTGVXAUSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 ZINC001074268207 786550735 /nfs/dbraw/zinc/55/07/35/786550735.db2.gz GMMGVAZHQXKBAP-HOTGVXAUSA-N 1 1 346.431 0.662 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ncc(OC)cn3)C[C@@H]21 ZINC001074293635 786612624 /nfs/dbraw/zinc/61/26/24/786612624.db2.gz ARZCJGLYOBOKDG-LSDHHAIUSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ncc(OC)cn3)C[C@@H]21 ZINC001074293635 786612626 /nfs/dbraw/zinc/61/26/26/786612626.db2.gz ARZCJGLYOBOKDG-LSDHHAIUSA-N 1 1 332.404 0.977 20 30 ECEDMO Cn1cncc1C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073566707 786625875 /nfs/dbraw/zinc/62/58/75/786625875.db2.gz TUVWEZFKTAWUQK-OAHLLOKOSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1cncc1C[N@H+]1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073566707 786625882 /nfs/dbraw/zinc/62/58/82/786625882.db2.gz TUVWEZFKTAWUQK-OAHLLOKOSA-N 1 1 342.403 0.641 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 ZINC001074302772 786635540 /nfs/dbraw/zinc/63/55/40/786635540.db2.gz XELFQLKXXFCZTQ-HZPDHXFCSA-N 1 1 333.436 0.718 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 ZINC001074302772 786635552 /nfs/dbraw/zinc/63/55/52/786635552.db2.gz XELFQLKXXFCZTQ-HZPDHXFCSA-N 1 1 333.436 0.718 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073576200 786657484 /nfs/dbraw/zinc/65/74/84/786657484.db2.gz ZNNXNLPQRBEZDW-DOMZBBRYSA-N 1 1 347.419 0.184 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073576200 786657490 /nfs/dbraw/zinc/65/74/90/786657490.db2.gz ZNNXNLPQRBEZDW-DOMZBBRYSA-N 1 1 347.419 0.184 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CCOC)nc2C)C1 ZINC001073600896 786744870 /nfs/dbraw/zinc/74/48/70/786744870.db2.gz AIAFITZJRUSGCA-HNNXBMFYSA-N 1 1 336.436 0.845 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001073603266 786752105 /nfs/dbraw/zinc/75/21/05/786752105.db2.gz BDHWPJSPRYDTEK-CQSZACIVSA-N 1 1 331.420 0.387 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074369472 786778264 /nfs/dbraw/zinc/77/82/64/786778264.db2.gz WXEVRALFONFDGB-HZPDHXFCSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074369472 786778271 /nfs/dbraw/zinc/77/82/71/786778271.db2.gz WXEVRALFONFDGB-HZPDHXFCSA-N 1 1 346.431 0.995 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074369651 786779495 /nfs/dbraw/zinc/77/94/95/786779495.db2.gz ZVGYANSVRBQVJV-GJZGRUSLSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074369651 786779499 /nfs/dbraw/zinc/77/94/99/786779499.db2.gz ZVGYANSVRBQVJV-GJZGRUSLSA-N 1 1 332.404 0.605 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625975 786799916 /nfs/dbraw/zinc/79/99/16/786799916.db2.gz KDMMQGCMOMTSDB-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073630311 786815912 /nfs/dbraw/zinc/81/59/12/786815912.db2.gz RRZFOBCQGZDDOK-CABCVRRESA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073630311 786815923 /nfs/dbraw/zinc/81/59/23/786815923.db2.gz RRZFOBCQGZDDOK-CABCVRRESA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001073630980 786818552 /nfs/dbraw/zinc/81/85/52/786818552.db2.gz LLRRCWGBOWGCOP-CQSZACIVSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001073630980 786818564 /nfs/dbraw/zinc/81/85/64/786818564.db2.gz LLRRCWGBOWGCOP-CQSZACIVSA-N 1 1 339.399 0.926 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001073637133 786838751 /nfs/dbraw/zinc/83/87/51/786838751.db2.gz RCOMUFMNKXROAB-UONOGXRCSA-N 1 1 334.420 0.369 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001073637133 786838756 /nfs/dbraw/zinc/83/87/56/786838756.db2.gz RCOMUFMNKXROAB-UONOGXRCSA-N 1 1 334.420 0.369 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001073640194 786847179 /nfs/dbraw/zinc/84/71/79/786847179.db2.gz YYISLDYYGGSHJU-ZDUSSCGKSA-N 1 1 328.376 0.197 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cncc3ncn(C)c32)C1 ZINC001073642909 786853610 /nfs/dbraw/zinc/85/36/10/786853610.db2.gz XVYRBXKDAFSUKA-CYBMUJFWSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cncc3ncn(C)c32)C1 ZINC001073642909 786853623 /nfs/dbraw/zinc/85/36/23/786853623.db2.gz XVYRBXKDAFSUKA-CYBMUJFWSA-N 1 1 327.388 0.422 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001073664618 786911622 /nfs/dbraw/zinc/91/16/22/786911622.db2.gz KHHCYTFGTXLAIM-DLBZAZTESA-N 1 1 339.480 0.880 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 ZINC001074415887 786914233 /nfs/dbraw/zinc/91/42/33/786914233.db2.gz YFGSQMTUQUNYPG-ZFWWWQNUSA-N 1 1 334.420 0.215 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 ZINC001074415887 786914240 /nfs/dbraw/zinc/91/42/40/786914240.db2.gz YFGSQMTUQUNYPG-ZFWWWQNUSA-N 1 1 334.420 0.215 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001073667325 786917099 /nfs/dbraw/zinc/91/70/99/786917099.db2.gz COUMBSCMXOUFOR-MRXNPFEDSA-N 1 1 341.415 0.882 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001073667652 786919220 /nfs/dbraw/zinc/91/92/20/786919220.db2.gz LKADIKCAFSCBNR-CYBMUJFWSA-N 1 1 343.387 0.192 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001073667652 786919225 /nfs/dbraw/zinc/91/92/25/786919225.db2.gz LKADIKCAFSCBNR-CYBMUJFWSA-N 1 1 343.387 0.192 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001073668187 786920870 /nfs/dbraw/zinc/92/08/70/786920870.db2.gz YIUPRCPASSJGDV-OAHLLOKOSA-N 1 1 341.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001073668187 786920878 /nfs/dbraw/zinc/92/08/78/786920878.db2.gz YIUPRCPASSJGDV-OAHLLOKOSA-N 1 1 341.415 0.800 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]21 ZINC001074417957 786921013 /nfs/dbraw/zinc/92/10/13/786921013.db2.gz XNDZHEPKSAXZRO-HZPDHXFCSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]21 ZINC001074417957 786921022 /nfs/dbraw/zinc/92/10/22/786921022.db2.gz XNDZHEPKSAXZRO-HZPDHXFCSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 ZINC001074419720 786929138 /nfs/dbraw/zinc/92/91/38/786929138.db2.gz QAAYTCDLPXSAGS-JKSUJKDBSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 ZINC001074419720 786929141 /nfs/dbraw/zinc/92/91/41/786929141.db2.gz QAAYTCDLPXSAGS-JKSUJKDBSA-N 1 1 333.436 0.626 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nnc3ccccc3n2)C1 ZINC001073696711 786989698 /nfs/dbraw/zinc/98/96/98/786989698.db2.gz MYPONOOWJIVTQH-ZDUSSCGKSA-N 1 1 325.372 0.479 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nnc3ccccc3n2)C1 ZINC001073696711 786989702 /nfs/dbraw/zinc/98/97/02/786989702.db2.gz MYPONOOWJIVTQH-ZDUSSCGKSA-N 1 1 325.372 0.479 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001073697606 786994773 /nfs/dbraw/zinc/99/47/73/786994773.db2.gz NZDREXIYFNLWPV-CYBMUJFWSA-N 1 1 335.404 0.780 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001073710206 787021156 /nfs/dbraw/zinc/02/11/56/787021156.db2.gz TZOSXWPCDCUTBK-HOTGVXAUSA-N 1 1 347.463 0.932 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001073712605 787027818 /nfs/dbraw/zinc/02/78/18/787027818.db2.gz GZAKBXRGONGXCL-KBPBESRZSA-N 1 1 347.406 0.345 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001073713289 787030036 /nfs/dbraw/zinc/03/00/36/787030036.db2.gz YFSBXXLRGLSADN-ARFHVFGLSA-N 1 1 339.436 0.015 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073741964 787098429 /nfs/dbraw/zinc/09/84/29/787098429.db2.gz ZLJSZOYMNKOCBY-SJORKVTESA-N 1 1 337.464 0.326 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073741964 787098438 /nfs/dbraw/zinc/09/84/38/787098438.db2.gz ZLJSZOYMNKOCBY-SJORKVTESA-N 1 1 337.464 0.326 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001073744736 787107397 /nfs/dbraw/zinc/10/73/97/787107397.db2.gz PUGXGIMLBJWXBL-KBPBESRZSA-N 1 1 340.493 0.937 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)CSCC#N)[C@H](C)C1 ZINC001073748273 787121073 /nfs/dbraw/zinc/12/10/73/787121073.db2.gz VWRMFAWKFZSSLK-TZMCWYRMSA-N 1 1 349.460 0.802 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001073748558 787122045 /nfs/dbraw/zinc/12/20/45/787122045.db2.gz GYQGQHLHMNBPHG-SJLPKXTDSA-N 1 1 344.459 0.984 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001074511337 787130713 /nfs/dbraw/zinc/13/07/13/787130713.db2.gz DVRGLRXUMXRUDH-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001073772584 787174394 /nfs/dbraw/zinc/17/43/94/787174394.db2.gz SINIUTBTBKVMLW-ARFHVFGLSA-N 1 1 330.432 0.754 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001073772719 787175039 /nfs/dbraw/zinc/17/50/39/787175039.db2.gz WIPYAPRMCJVELC-CQSZACIVSA-N 1 1 344.415 0.333 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001073772815 787175461 /nfs/dbraw/zinc/17/54/61/787175461.db2.gz ZFSWIBHMRCZOAT-BZUAXINKSA-N 1 1 330.432 0.754 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001073819741 787262900 /nfs/dbraw/zinc/26/29/00/787262900.db2.gz IOYWQKKMEBAYKQ-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001074565693 787272237 /nfs/dbraw/zinc/27/22/37/787272237.db2.gz QVGSBAMFISOVSA-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO O=C(NC[C@@H]1C[N@H+](CC#Cc2ccccc2)CCCO1)c1cnon1 ZINC001073827966 787291371 /nfs/dbraw/zinc/29/13/71/787291371.db2.gz BNWJMKXWTLWSBR-MRXNPFEDSA-N 1 1 340.383 0.942 20 30 ECEDMO O=C(NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCCO1)c1cnon1 ZINC001073827966 787291376 /nfs/dbraw/zinc/29/13/76/787291376.db2.gz BNWJMKXWTLWSBR-MRXNPFEDSA-N 1 1 340.383 0.942 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nc[nH]c3C2)C1 ZINC001073847624 787345854 /nfs/dbraw/zinc/34/58/54/787345854.db2.gz FQNJUHAIUYMRIM-GJZGRUSLSA-N 1 1 330.432 0.745 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC001073847624 787345858 /nfs/dbraw/zinc/34/58/58/787345858.db2.gz FQNJUHAIUYMRIM-GJZGRUSLSA-N 1 1 330.432 0.745 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC001073847624 787345866 /nfs/dbraw/zinc/34/58/66/787345866.db2.gz FQNJUHAIUYMRIM-GJZGRUSLSA-N 1 1 330.432 0.745 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001073847795 787346674 /nfs/dbraw/zinc/34/66/74/787346674.db2.gz KBTKWHDLGUAKSV-CABCVRRESA-N 1 1 347.419 0.084 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nc[nH]c3C2)C1 ZINC001073848154 787348162 /nfs/dbraw/zinc/34/81/62/787348162.db2.gz QNZYXYQLNGETPZ-LSDHHAIUSA-N 1 1 330.432 0.745 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC001073848154 787348170 /nfs/dbraw/zinc/34/81/70/787348170.db2.gz QNZYXYQLNGETPZ-LSDHHAIUSA-N 1 1 330.432 0.745 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC001073848154 787348180 /nfs/dbraw/zinc/34/81/80/787348180.db2.gz QNZYXYQLNGETPZ-LSDHHAIUSA-N 1 1 330.432 0.745 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001073853636 787365039 /nfs/dbraw/zinc/36/50/39/787365039.db2.gz KQHPACUDKQFPRJ-GJZGRUSLSA-N 1 1 336.436 0.150 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001073853635 787365257 /nfs/dbraw/zinc/36/52/57/787365257.db2.gz KQHPACUDKQFPRJ-CABCVRRESA-N 1 1 336.436 0.150 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001073853717 787367102 /nfs/dbraw/zinc/36/71/02/787367102.db2.gz MFQBEOKFWKPLDC-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)OC)CCCO2)nc1 ZINC001073863504 787395121 /nfs/dbraw/zinc/39/51/21/787395121.db2.gz SKFHSKWNRUIPGB-GDBMZVCRSA-N 1 1 331.416 0.919 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001073877176 787421437 /nfs/dbraw/zinc/42/14/37/787421437.db2.gz XFKKEIFIBFEUPZ-HNNXBMFYSA-N 1 1 330.388 0.631 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001073877176 787421441 /nfs/dbraw/zinc/42/14/41/787421441.db2.gz XFKKEIFIBFEUPZ-HNNXBMFYSA-N 1 1 330.388 0.631 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001073886644 787438571 /nfs/dbraw/zinc/43/85/71/787438571.db2.gz TZXGKIFCDAYCSR-KRWDZBQOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001073896111 787464841 /nfs/dbraw/zinc/46/48/41/787464841.db2.gz KZXZQUVCGHEAFV-GOEBONIOSA-N 1 1 330.432 0.745 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001073908728 787497792 /nfs/dbraw/zinc/49/77/92/787497792.db2.gz UKCKJAIKKZVWFX-JCYILVPMSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001073908728 787497794 /nfs/dbraw/zinc/49/77/94/787497794.db2.gz UKCKJAIKKZVWFX-JCYILVPMSA-N 1 1 335.448 0.522 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)[C@@H]1C ZINC001074657017 787523644 /nfs/dbraw/zinc/52/36/44/787523644.db2.gz ONQWYRBYJVKJKM-XGUBFFRZSA-N 1 1 333.436 0.875 20 30 ECEDMO C[N@@H+](C[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1)[C@H]1CCNC1=O ZINC001073997325 787644502 /nfs/dbraw/zinc/64/45/02/787644502.db2.gz UPINSKARYZDGFU-CABCVRRESA-N 1 1 329.404 0.701 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)CSCC#N)C[C@H]1C ZINC001074064441 787799162 /nfs/dbraw/zinc/79/91/62/787799162.db2.gz YNDNDSBPUIJQAX-OCCSQVGLSA-N 1 1 349.460 0.802 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001072721059 788647939 /nfs/dbraw/zinc/64/79/39/788647939.db2.gz BNHBNRPPMUCSSY-HNNXBMFYSA-N 1 1 325.416 0.713 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001072721577 788648185 /nfs/dbraw/zinc/64/81/85/788648185.db2.gz YCSUSSJKOXGPQE-UHFFFAOYSA-N 1 1 327.432 0.843 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001072736124 788671649 /nfs/dbraw/zinc/67/16/49/788671649.db2.gz BYJSQBSNBMNRST-SWLSCSKDSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)nn1 ZINC001072742714 788693229 /nfs/dbraw/zinc/69/32/29/788693229.db2.gz UHWIIWQZRLNVQS-KGLIPLIRSA-N 1 1 348.451 0.383 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)CSCC#N)[C@@H](C)C1 ZINC001074999177 788697111 /nfs/dbraw/zinc/69/71/11/788697111.db2.gz HMURIBPMEXAXQM-JSGCOSHPSA-N 1 1 349.460 0.944 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)N(C)C)C2 ZINC001072747070 788703888 /nfs/dbraw/zinc/70/38/88/788703888.db2.gz BLYCOJWKWPTZCT-CABCVRRESA-N 1 1 335.448 0.590 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(=O)NC)C2 ZINC001072747715 788706315 /nfs/dbraw/zinc/70/63/15/788706315.db2.gz NFCRLULDMWVCMN-KFWWJZLASA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC001072747984 788707275 /nfs/dbraw/zinc/70/72/75/788707275.db2.gz QYBJMKSJTOHRSC-PMPSAXMXSA-N 1 1 347.459 0.733 20 30 ECEDMO C=CCOc1ccccc1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072862028 788983223 /nfs/dbraw/zinc/98/32/23/788983223.db2.gz KAANUFVCDUAYKY-UHFFFAOYSA-N 1 1 329.400 0.885 20 30 ECEDMO C=CCOc1ccccc1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072862028 788983230 /nfs/dbraw/zinc/98/32/30/788983230.db2.gz KAANUFVCDUAYKY-UHFFFAOYSA-N 1 1 329.400 0.885 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001072867557 788993554 /nfs/dbraw/zinc/99/35/54/788993554.db2.gz HRYSMOWGCDTYEK-ZDUSSCGKSA-N 1 1 331.420 0.657 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001072902933 789076071 /nfs/dbraw/zinc/07/60/71/789076071.db2.gz HTHGCYSDUYHIIZ-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)c4c[nH]c(=O)cn4)C3)C2)cc1 ZINC001072924632 789124111 /nfs/dbraw/zinc/12/41/11/789124111.db2.gz NTGVOXFFLSZVEF-UHFFFAOYSA-N 1 1 349.394 0.990 20 30 ECEDMO O=C([C@@H]1CNC(=O)N1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001072931314 789129926 /nfs/dbraw/zinc/12/99/26/789129926.db2.gz CEXNHZQCMIXLHE-INIZCTEOSA-N 1 1 338.411 0.254 20 30 ECEDMO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075264041 789133930 /nfs/dbraw/zinc/13/39/30/789133930.db2.gz XTYIRTZKTPHCAI-RYUDHWBXSA-N 1 1 342.407 0.298 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](CC(=O)N1CCOCC1)C2 ZINC001072945086 789148754 /nfs/dbraw/zinc/14/87/54/789148754.db2.gz TUMMSBHRTSIDQQ-GOSISDBHSA-N 1 1 349.475 0.982 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001072945086 789148760 /nfs/dbraw/zinc/14/87/60/789148760.db2.gz TUMMSBHRTSIDQQ-GOSISDBHSA-N 1 1 349.475 0.982 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073028240 789302035 /nfs/dbraw/zinc/30/20/35/789302035.db2.gz FQZJMQGBISZHNL-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001073028888 789304389 /nfs/dbraw/zinc/30/43/89/789304389.db2.gz DXNSOBGVTLDMNO-OWCLPIDISA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001075389130 789316692 /nfs/dbraw/zinc/31/66/92/789316692.db2.gz YAVWCMDRBRYOLL-CVEARBPZSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CN=NC3=O)CC2)CC1 ZINC001075449827 789376255 /nfs/dbraw/zinc/37/62/55/789376255.db2.gz SPFJAKWDLBZFES-OAHLLOKOSA-N 1 1 345.447 0.958 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)C#CC(C)C)CC2)C1 ZINC001073065875 789378462 /nfs/dbraw/zinc/37/84/62/789378462.db2.gz ZBNHJDKNTDVZTE-MRXNPFEDSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)C#CC(C)C)CC2)C1 ZINC001073065875 789378471 /nfs/dbraw/zinc/37/84/71/789378471.db2.gz ZBNHJDKNTDVZTE-MRXNPFEDSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)C1 ZINC001073089673 789426077 /nfs/dbraw/zinc/42/60/77/789426077.db2.gz VWISQVXLOGTTCA-OAHLLOKOSA-N 1 1 343.431 0.486 20 30 ECEDMO O=C([C@H]1COCCO1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075567822 789508389 /nfs/dbraw/zinc/50/83/89/789508389.db2.gz JHGNZTHOEYHDMC-IPMKNSEASA-N 1 1 340.423 0.986 20 30 ECEDMO O=C([C@H]1COCCO1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075567822 789508393 /nfs/dbraw/zinc/50/83/93/789508393.db2.gz JHGNZTHOEYHDMC-IPMKNSEASA-N 1 1 340.423 0.986 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccn[nH]4)[C@@H]3C2)C1=O ZINC001075570284 789516468 /nfs/dbraw/zinc/51/64/68/789516468.db2.gz CTRFRCDDHAGBES-NWANDNLSSA-N 1 1 329.404 0.343 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc[nH]n4)[C@@H]3C2)C1=O ZINC001075570284 789516471 /nfs/dbraw/zinc/51/64/71/789516471.db2.gz CTRFRCDDHAGBES-NWANDNLSSA-N 1 1 329.404 0.343 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc[nH]n4)[C@@H]3C2)C1=O ZINC001075570284 789516481 /nfs/dbraw/zinc/51/64/81/789516481.db2.gz CTRFRCDDHAGBES-NWANDNLSSA-N 1 1 329.404 0.343 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cocn4)[C@@H]3C2)C1=O ZINC001075614776 789573424 /nfs/dbraw/zinc/57/34/24/789573424.db2.gz IIAGINTVSPIZKQ-NWANDNLSSA-N 1 1 330.388 0.608 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001075621422 789581158 /nfs/dbraw/zinc/58/11/58/789581158.db2.gz ZZZQOMPZIDOSJK-UHOFOFEASA-N 1 1 326.400 0.978 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)c1 ZINC001075657462 789623950 /nfs/dbraw/zinc/62/39/50/789623950.db2.gz UUWUTNPEUUKBJO-DZGCQCFKSA-N 1 1 327.388 0.265 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)c1 ZINC001075657462 789623954 /nfs/dbraw/zinc/62/39/54/789623954.db2.gz UUWUTNPEUUKBJO-DZGCQCFKSA-N 1 1 327.388 0.265 20 30 ECEDMO CCC1(NC(=O)C#CC(C)C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001069273021 789724820 /nfs/dbraw/zinc/72/48/20/789724820.db2.gz NTZJAFMBAADSCX-INIZCTEOSA-N 1 1 349.475 0.864 20 30 ECEDMO CCC1(NC(=O)C#CC(C)C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001069273021 789724826 /nfs/dbraw/zinc/72/48/26/789724826.db2.gz NTZJAFMBAADSCX-INIZCTEOSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001073393882 789785515 /nfs/dbraw/zinc/78/55/15/789785515.db2.gz QSDAGBSKMOHJLI-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3ncccc3C#N)C(C)(C)C2)C1 ZINC001069553191 789895447 /nfs/dbraw/zinc/89/54/47/789895447.db2.gz QTXDWHYMGCGDRG-CABCVRRESA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3ncccc3C#N)C(C)(C)C2)C1 ZINC001069553191 789895454 /nfs/dbraw/zinc/89/54/54/789895454.db2.gz QTXDWHYMGCGDRG-CABCVRRESA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3cnc(C#N)cn3)C(C)(C)C2)C1 ZINC001069553584 789896809 /nfs/dbraw/zinc/89/68/09/789896809.db2.gz ZWAGDAMHDIPFFV-KGLIPLIRSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3cnc(C#N)cn3)C(C)(C)C2)C1 ZINC001069553584 789896818 /nfs/dbraw/zinc/89/68/18/789896818.db2.gz ZWAGDAMHDIPFFV-KGLIPLIRSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](Nc3nccnc3C#N)C(C)(C)C2)C1 ZINC001069572495 789908557 /nfs/dbraw/zinc/90/85/57/789908557.db2.gz XNMXZNUEERZCPJ-OCCSQVGLSA-N 1 1 328.420 0.949 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC(Nc2ccc(C#N)nn2)C1 ZINC001069719978 789987526 /nfs/dbraw/zinc/98/75/26/789987526.db2.gz ZWFDUKXUTVYYDP-JXQTWKCFSA-N 1 1 330.392 0.080 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC(Nc2ccc(C#N)nn2)C1 ZINC001069719978 789987529 /nfs/dbraw/zinc/98/75/29/789987529.db2.gz ZWFDUKXUTVYYDP-JXQTWKCFSA-N 1 1 330.392 0.080 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069755519 790012128 /nfs/dbraw/zinc/01/21/28/790012128.db2.gz FZPOJZBZXASJPI-HSBZDZAISA-N 1 1 328.420 0.513 20 30 ECEDMO C=CCCN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)c2C1 ZINC001069883234 790149445 /nfs/dbraw/zinc/14/94/45/790149445.db2.gz XECQVSOBFGGCNU-QGZVFWFLSA-N 1 1 347.463 0.612 20 30 ECEDMO C=CCCN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)c2C1 ZINC001069883234 790149448 /nfs/dbraw/zinc/14/94/48/790149448.db2.gz XECQVSOBFGGCNU-QGZVFWFLSA-N 1 1 347.463 0.612 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2scnc2C)[C@@H](n2ccnn2)C1 ZINC001069899833 790168342 /nfs/dbraw/zinc/16/83/42/790168342.db2.gz ZXTYNUHCPWTXIS-OLZOCXBDSA-N 1 1 330.417 0.722 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2scnc2C)[C@@H](n2ccnn2)C1 ZINC001069899833 790168345 /nfs/dbraw/zinc/16/83/45/790168345.db2.gz ZXTYNUHCPWTXIS-OLZOCXBDSA-N 1 1 330.417 0.722 20 30 ECEDMO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911697 790180750 /nfs/dbraw/zinc/18/07/50/790180750.db2.gz ITMQWVZTYZMTBX-GLQYFDAESA-N 1 1 343.391 0.168 20 30 ECEDMO CCCC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911830 790180894 /nfs/dbraw/zinc/18/08/94/790180894.db2.gz XNZYEIUTRXUWRW-CABCVRRESA-N 1 1 327.392 0.933 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@@H](n2ccnn2)C1 ZINC001069911724 790181093 /nfs/dbraw/zinc/18/10/93/790181093.db2.gz LXBOHCARLBMBGK-NEPJUHHUSA-N 1 1 332.364 0.506 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001069920358 790191315 /nfs/dbraw/zinc/19/13/15/790191315.db2.gz JCDGWCROQNAJFG-OLZOCXBDSA-N 1 1 331.380 0.130 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001069920358 790191318 /nfs/dbraw/zinc/19/13/18/790191318.db2.gz JCDGWCROQNAJFG-OLZOCXBDSA-N 1 1 331.380 0.130 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069929054 790201439 /nfs/dbraw/zinc/20/14/39/790201439.db2.gz RQLXRYBXPBLGMI-TUVASFSCSA-N 1 1 346.435 0.110 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069940974 790216162 /nfs/dbraw/zinc/21/61/62/790216162.db2.gz PSEILOKXKDYUHF-HIFRSBDPSA-N 1 1 341.419 0.652 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069940974 790216163 /nfs/dbraw/zinc/21/61/63/790216163.db2.gz PSEILOKXKDYUHF-HIFRSBDPSA-N 1 1 341.419 0.652 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC)C[C@@H]1n1ccnn1 ZINC001069949280 790229385 /nfs/dbraw/zinc/22/93/85/790229385.db2.gz OMVOMODDONIQPK-IKGGRYGDSA-N 1 1 344.463 0.517 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069950139 790230400 /nfs/dbraw/zinc/23/04/00/790230400.db2.gz BKHGJOMPRYSHGM-KGLIPLIRSA-N 1 1 329.408 0.334 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069950139 790230404 /nfs/dbraw/zinc/23/04/04/790230404.db2.gz BKHGJOMPRYSHGM-KGLIPLIRSA-N 1 1 329.408 0.334 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2CCC)[C@@H](n2ccnn2)C1 ZINC001069968260 790256243 /nfs/dbraw/zinc/25/62/43/790256243.db2.gz PXHZDUAIMWHIIX-ZBFHGGJFSA-N 1 1 343.435 0.805 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2CCC)[C@@H](n2ccnn2)C1 ZINC001069968260 790256248 /nfs/dbraw/zinc/25/62/48/790256248.db2.gz PXHZDUAIMWHIIX-ZBFHGGJFSA-N 1 1 343.435 0.805 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2coc(OCC)n2)[C@@H](n2ccnn2)C1 ZINC001069969281 790257833 /nfs/dbraw/zinc/25/78/33/790257833.db2.gz LJZZVDARMVQMGJ-OCCSQVGLSA-N 1 1 346.391 0.896 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2coc(OCC)n2)[C@@H](n2ccnn2)C1 ZINC001069969281 790257836 /nfs/dbraw/zinc/25/78/36/790257836.db2.gz LJZZVDARMVQMGJ-OCCSQVGLSA-N 1 1 346.391 0.896 20 30 ECEDMO C#CCCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068819922 791193429 /nfs/dbraw/zinc/19/34/29/791193429.db2.gz OHEHZDRTYDQEBO-HZPDHXFCSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068839740 791237039 /nfs/dbraw/zinc/23/70/39/791237039.db2.gz SJIJRVSYDYCELC-HUUCEWRRSA-N 1 1 333.432 0.228 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001068858411 791278056 /nfs/dbraw/zinc/27/80/56/791278056.db2.gz DSFCSZJYNDZLRD-HNNXBMFYSA-N 1 1 335.448 0.472 20 30 ECEDMO C[C@@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068870774 791313236 /nfs/dbraw/zinc/31/32/36/791313236.db2.gz GZUWDZAOURGJHW-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001068944850 791479988 /nfs/dbraw/zinc/47/99/88/791479988.db2.gz BIPUZLLJZLXUDH-ZIAGYGMSSA-N 1 1 342.447 0.903 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)CO2 ZINC001069040722 791637630 /nfs/dbraw/zinc/63/76/30/791637630.db2.gz QSWHMYJEOHGEEI-JKSUJKDBSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@H]1C[C@H](Nc2ccncc2C#N)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119915 791721474 /nfs/dbraw/zinc/72/14/74/791721474.db2.gz ZHISPWULBIGMIR-HOCLYGCPSA-N 1 1 343.431 0.499 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2nccnc2C#N)C[C@@H]1C ZINC001069174642 791758928 /nfs/dbraw/zinc/75/89/28/791758928.db2.gz BJKORGIJBGILQL-WCQYABFASA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](CNc2ccc(C#N)nn2)C1 ZINC001066675552 791968688 /nfs/dbraw/zinc/96/86/88/791968688.db2.gz MZTXUPFOTCDDOE-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(C(=O)C4CC4)C3)CC2)nn1 ZINC001066693531 792006847 /nfs/dbraw/zinc/00/68/47/792006847.db2.gz BHOUIHNFSZSSFK-HNNXBMFYSA-N 1 1 326.404 0.481 20 30 ECEDMO Cc1cc(N2CCN([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)nc(C)[nH+]1 ZINC001066697773 792015013 /nfs/dbraw/zinc/01/50/13/792015013.db2.gz CMNXYTVFNRBMIJ-BBRMVZONSA-N 1 1 342.447 0.976 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066736371 792070401 /nfs/dbraw/zinc/07/04/01/792070401.db2.gz LRKJWYOOEUWWRU-UONOGXRCSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066736371 792070410 /nfs/dbraw/zinc/07/04/10/792070410.db2.gz LRKJWYOOEUWWRU-UONOGXRCSA-N 1 1 344.419 0.154 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)C(=O)CSCC#N ZINC001066872963 792245410 /nfs/dbraw/zinc/24/54/10/792245410.db2.gz CBKFCCIXGBPHPI-KGLIPLIRSA-N 1 1 340.493 0.748 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1CN(C)c1ccnc(C#N)n1 ZINC001067781725 792277951 /nfs/dbraw/zinc/27/79/51/792277951.db2.gz BGXLRVAZIYIPJX-CQSZACIVSA-N 1 1 339.403 0.981 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2ccc(C#N)cn2)C1 ZINC001066890867 792292280 /nfs/dbraw/zinc/29/22/80/792292280.db2.gz RAHXBMNTIVVFDD-YJBOKZPZSA-N 1 1 343.431 0.813 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(Nc3ccncc3C#N)C2)C1 ZINC001066905861 792337757 /nfs/dbraw/zinc/33/77/57/792337757.db2.gz CGYNGFWNEGGAEQ-KSSFIOAISA-N 1 1 343.431 0.092 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1C ZINC001067961170 792508421 /nfs/dbraw/zinc/50/84/21/792508421.db2.gz NZNQLVGFVFLMTK-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC[C@H]1C ZINC001067961896 792509443 /nfs/dbraw/zinc/50/94/43/792509443.db2.gz ZYPKAWJAKMMOKQ-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3ccc(C#N)nn3)CC2(C)C)C1 ZINC001068102140 792673323 /nfs/dbraw/zinc/67/33/23/792673323.db2.gz IKMXIYPKASTREY-KBPBESRZSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3ccc(C#N)nn3)CC2(C)C)C1 ZINC001068102140 792673330 /nfs/dbraw/zinc/67/33/30/792673330.db2.gz IKMXIYPKASTREY-KBPBESRZSA-N 1 1 344.419 0.010 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001067080744 792677254 /nfs/dbraw/zinc/67/72/54/792677254.db2.gz VCQRGJYYUXJFBF-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001067080744 792677259 /nfs/dbraw/zinc/67/72/59/792677259.db2.gz VCQRGJYYUXJFBF-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1nccnc1C#N ZINC001067117165 792714950 /nfs/dbraw/zinc/71/49/50/792714950.db2.gz FJRLRSWUPIAXPP-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001068162294 792764728 /nfs/dbraw/zinc/76/47/28/792764728.db2.gz NTVQFCDIAGXFEL-LVQVYYBASA-N 1 1 341.415 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001068162294 792764733 /nfs/dbraw/zinc/76/47/33/792764733.db2.gz NTVQFCDIAGXFEL-LVQVYYBASA-N 1 1 341.415 0.082 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001067293095 792947156 /nfs/dbraw/zinc/94/71/56/792947156.db2.gz IWZAYMKQMKWRMD-RKVPGOIHSA-N 1 1 339.480 0.961 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1C ZINC001067400393 793100494 /nfs/dbraw/zinc/10/04/94/793100494.db2.gz CLBQZXUVBFQWNU-OCCSQVGLSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1C ZINC001067420780 793128774 /nfs/dbraw/zinc/12/87/74/793128774.db2.gz NTYCOUKBXFKCCH-OCCSQVGLSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001067431774 793149684 /nfs/dbraw/zinc/14/96/84/793149684.db2.gz WBLKRDQXQMJTPU-HNNXBMFYSA-N 1 1 337.464 0.816 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001068420146 793276715 /nfs/dbraw/zinc/27/67/15/793276715.db2.gz FRGHGHQIVFHQGC-CQSZACIVSA-N 1 1 336.436 0.318 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)CCNCc2cccc(OC)n2)CC1 ZINC001267475124 837504591 /nfs/dbraw/zinc/50/45/91/837504591.db2.gz XBDYALGWROFTSR-UHFFFAOYSA-N 1 1 344.459 0.983 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)C(=O)C(C)(C)C)C1 ZINC001267513147 837604814 /nfs/dbraw/zinc/60/48/14/837604814.db2.gz DRPNAYIOQGCVAT-KGLIPLIRSA-N 1 1 335.448 0.568 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)/C=C/c2ccc[nH]2)C1 ZINC001267524143 837684159 /nfs/dbraw/zinc/68/41/59/837684159.db2.gz PLBSFYAEVTWUPP-XGACYXMMSA-N 1 1 329.404 0.496 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(CC=C)C1=O ZINC001267530627 837704019 /nfs/dbraw/zinc/70/40/19/837704019.db2.gz VRSVIAIBJPNLQO-MWDXBVQZSA-N 1 1 345.443 0.487 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccsn2)C1 ZINC001267536235 837715465 /nfs/dbraw/zinc/71/54/65/837715465.db2.gz PCPXAVQLCJNWIE-OLZOCXBDSA-N 1 1 334.445 0.723 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC2(F)F)C1 ZINC001267536329 837716001 /nfs/dbraw/zinc/71/60/01/837716001.db2.gz QWUXHEJOTHDKDV-NWDGAFQWSA-N 1 1 328.363 0.500 20 30 ECEDMO CCCN(C(=O)C[C@H]1CCC(=O)N1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267547762 837743417 /nfs/dbraw/zinc/74/34/17/837743417.db2.gz QSTAGAPILSCUIL-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO CCCN(C(=O)C[C@H]1CCC(=O)N1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267547762 837743420 /nfs/dbraw/zinc/74/34/20/837743420.db2.gz QSTAGAPILSCUIL-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)c2[nH]cnc2C)C1 ZINC001267549744 837751469 /nfs/dbraw/zinc/75/14/69/837751469.db2.gz IDXSSZFABQWXCV-CABCVRRESA-N 1 1 345.447 0.783 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)c2[nH]cnc2C)C1 ZINC001267549744 837751476 /nfs/dbraw/zinc/75/14/76/837751476.db2.gz IDXSSZFABQWXCV-CABCVRRESA-N 1 1 345.447 0.783 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267556375 837763407 /nfs/dbraw/zinc/76/34/07/837763407.db2.gz OZZVFGAQGHKOKQ-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2cc(CN(C)C)on2)C1 ZINC001267559785 837771225 /nfs/dbraw/zinc/77/12/25/837771225.db2.gz CLQNXZRXZNTUOR-OAHLLOKOSA-N 1 1 348.447 0.828 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@@H]2CC[N@H+](Cc3ncccn3)C2)nn1 ZINC001267566344 837784062 /nfs/dbraw/zinc/78/40/62/837784062.db2.gz DFVUOHOZGFXFGX-CQSZACIVSA-N 1 1 341.419 0.896 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ncccn3)C2)nn1 ZINC001267566344 837784067 /nfs/dbraw/zinc/78/40/67/837784067.db2.gz DFVUOHOZGFXFGX-CQSZACIVSA-N 1 1 341.419 0.896 20 30 ECEDMO COc1cccnc1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267566512 837784080 /nfs/dbraw/zinc/78/40/80/837784080.db2.gz DSCNCHGOCNCKQX-CYBMUJFWSA-N 1 1 345.403 0.172 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC001267568615 837791559 /nfs/dbraw/zinc/79/15/59/837791559.db2.gz VUFPTSVNWJUHFI-DLBZAZTESA-N 1 1 349.475 0.723 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC001267575549 837828229 /nfs/dbraw/zinc/82/82/29/837828229.db2.gz FWFVYPBKVFVGNX-KRWDZBQOSA-N 1 1 333.476 0.902 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001267577353 837831773 /nfs/dbraw/zinc/83/17/73/837831773.db2.gz MLJAQKWMSSNEGH-JTQLQIEISA-N 1 1 332.351 0.044 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)/C=C/c1ccco1 ZINC001266250343 835555334 /nfs/dbraw/zinc/55/53/34/835555334.db2.gz NCGLCTAFBALFAT-VOTSOKGWSA-N 1 1 334.376 0.353 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)/C=C/c1ccco1 ZINC001266250343 835555339 /nfs/dbraw/zinc/55/53/39/835555339.db2.gz NCGLCTAFBALFAT-VOTSOKGWSA-N 1 1 334.376 0.353 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCNC(=O)/C=C(\C)CC)CC1 ZINC001266263137 835574553 /nfs/dbraw/zinc/57/45/53/835574553.db2.gz VWKBTIAFURYDKT-JQIJEIRASA-N 1 1 334.464 0.216 20 30 ECEDMO COc1ccncc1CC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001266267342 835584659 /nfs/dbraw/zinc/58/46/59/835584659.db2.gz YYWVFZYQEJSLLB-UHFFFAOYSA-N 1 1 331.420 0.280 20 30 ECEDMO C=CCN1CC[C@@H](N(C)CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1=O ZINC001266280625 835608604 /nfs/dbraw/zinc/60/86/04/835608604.db2.gz MEKJDARGKLDNQN-JKSUJKDBSA-N 1 1 336.480 0.696 20 30 ECEDMO C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)s1)N1C(=O)CCC1=O ZINC001266280534 835608773 /nfs/dbraw/zinc/60/87/73/835608773.db2.gz JGDZDEBWQUSFFE-LLVKDONJSA-N 1 1 348.428 0.705 20 30 ECEDMO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1)N1C(=O)CCC1=O ZINC001266280534 835608776 /nfs/dbraw/zinc/60/87/76/835608776.db2.gz JGDZDEBWQUSFFE-LLVKDONJSA-N 1 1 348.428 0.705 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)Cc2cnn3ccccc23)CC1 ZINC001266285982 835622474 /nfs/dbraw/zinc/62/24/74/835622474.db2.gz UNVPUVKRFWCFOJ-UHFFFAOYSA-N 1 1 325.416 0.244 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001266297203 835646319 /nfs/dbraw/zinc/64/63/19/835646319.db2.gz LPGVZAGNWLUENS-UHFFFAOYSA-N 1 1 328.416 0.156 20 30 ECEDMO O=C(C#CC1CC1)N[C@H]1CC[N@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC001266320140 835690501 /nfs/dbraw/zinc/69/05/01/835690501.db2.gz ZQGNQUASWACEFB-QWHCGFSZSA-N 1 1 334.338 0.530 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C1 ZINC001266321801 835695861 /nfs/dbraw/zinc/69/58/61/835695861.db2.gz WRPPFFKSYFQHHV-ZDUSSCGKSA-N 1 1 331.482 0.671 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C1 ZINC001266321801 835695864 /nfs/dbraw/zinc/69/58/64/835695864.db2.gz WRPPFFKSYFQHHV-ZDUSSCGKSA-N 1 1 331.482 0.671 20 30 ECEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001266322235 835695911 /nfs/dbraw/zinc/69/59/11/835695911.db2.gz CTZWRNHDMMGUBE-ZDUSSCGKSA-N 1 1 334.420 0.131 20 30 ECEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001266322235 835695915 /nfs/dbraw/zinc/69/59/15/835695915.db2.gz CTZWRNHDMMGUBE-ZDUSSCGKSA-N 1 1 334.420 0.131 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](C)C[C@@H]2CCNC(=O)CC2)c1 ZINC001266323603 835699480 /nfs/dbraw/zinc/69/94/80/835699480.db2.gz HXDDTMOCBKHQRZ-HNNXBMFYSA-N 1 1 328.416 0.641 20 30 ECEDMO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001266325486 835702229 /nfs/dbraw/zinc/70/22/29/835702229.db2.gz NYYIIISQPONZTM-CQSZACIVSA-N 1 1 344.415 0.791 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C(C)(F)F ZINC001266326833 835705049 /nfs/dbraw/zinc/70/50/49/835705049.db2.gz NNCQTPXWYUQKEF-JTQLQIEISA-N 1 1 334.367 0.338 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C(C)(F)F ZINC001266326833 835705056 /nfs/dbraw/zinc/70/50/56/835705056.db2.gz NNCQTPXWYUQKEF-JTQLQIEISA-N 1 1 334.367 0.338 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001266327944 835709157 /nfs/dbraw/zinc/70/91/57/835709157.db2.gz PDXGILAWIIVOAB-HNNXBMFYSA-N 1 1 345.399 0.005 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001266327944 835709164 /nfs/dbraw/zinc/70/91/64/835709164.db2.gz PDXGILAWIIVOAB-HNNXBMFYSA-N 1 1 345.399 0.005 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cnn(CC(C)C)c2)C1=O ZINC001266342750 835729768 /nfs/dbraw/zinc/72/97/68/835729768.db2.gz VOSRYNUHVKTPSW-MRXNPFEDSA-N 1 1 347.463 0.988 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cnn(CC(C)C)c2)C1=O ZINC001266342750 835729774 /nfs/dbraw/zinc/72/97/74/835729774.db2.gz VOSRYNUHVKTPSW-MRXNPFEDSA-N 1 1 347.463 0.988 20 30 ECEDMO CCOCCn1cc(C(=O)N[C@H]2CC[N@H+](CC#CCOC)C2)cn1 ZINC001266350540 835746592 /nfs/dbraw/zinc/74/65/92/835746592.db2.gz VPIQYRQXHSOOJN-INIZCTEOSA-N 1 1 334.420 0.374 20 30 ECEDMO CCOCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC#CCOC)C2)cn1 ZINC001266350540 835746598 /nfs/dbraw/zinc/74/65/98/835746598.db2.gz VPIQYRQXHSOOJN-INIZCTEOSA-N 1 1 334.420 0.374 20 30 ECEDMO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]nn2)C1 ZINC000970008408 835749756 /nfs/dbraw/zinc/74/97/56/835749756.db2.gz YDANNECPQHPCOT-LLVKDONJSA-N 1 1 328.214 0.836 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc2c(c1)COC2 ZINC001266351834 835751035 /nfs/dbraw/zinc/75/10/35/835751035.db2.gz BUZLXIJZIMSMIA-AWEZNQCLSA-N 1 1 343.427 0.445 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1ccc2c(c1)COC2 ZINC001266351834 835751038 /nfs/dbraw/zinc/75/10/38/835751038.db2.gz BUZLXIJZIMSMIA-AWEZNQCLSA-N 1 1 343.427 0.445 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@@H](C)CO2)CC1 ZINC001266389015 835798454 /nfs/dbraw/zinc/79/84/54/835798454.db2.gz ZLGJWQNXKRHNNR-WBVHZDCISA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc2ccccc2nn1 ZINC001266405751 835812949 /nfs/dbraw/zinc/81/29/49/835812949.db2.gz FFKWPBIJQGIDGD-UHFFFAOYSA-N 1 1 339.399 0.431 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc2ccccc2nn1 ZINC001266405751 835812955 /nfs/dbraw/zinc/81/29/55/835812955.db2.gz FFKWPBIJQGIDGD-UHFFFAOYSA-N 1 1 339.399 0.431 20 30 ECEDMO CC[N@H+](CCNC(=O)CC#Cc1ccccc1)CC(=O)NC(=O)NC ZINC001266437774 835842760 /nfs/dbraw/zinc/84/27/60/835842760.db2.gz LPZFVKYSZOUSJU-UHFFFAOYSA-N 1 1 344.415 0.322 20 30 ECEDMO CC[N@@H+](CCNC(=O)CC#Cc1ccccc1)CC(=O)NC(=O)NC ZINC001266437774 835842767 /nfs/dbraw/zinc/84/27/67/835842767.db2.gz LPZFVKYSZOUSJU-UHFFFAOYSA-N 1 1 344.415 0.322 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001266447014 835849890 /nfs/dbraw/zinc/84/98/90/835849890.db2.gz NRIPBCXIQSZAIP-GXTWGEPZSA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001266447014 835849897 /nfs/dbraw/zinc/84/98/97/835849897.db2.gz NRIPBCXIQSZAIP-GXTWGEPZSA-N 1 1 333.436 0.857 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](OCC)C2CC2)C1 ZINC001266455847 835859508 /nfs/dbraw/zinc/85/95/08/835859508.db2.gz MEZSSTDSWKNWER-YJBOKZPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001266461015 835863272 /nfs/dbraw/zinc/86/32/72/835863272.db2.gz HREWVFOEVXJSCQ-ZBFHGGJFSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001266461015 835863273 /nfs/dbraw/zinc/86/32/73/835863273.db2.gz HREWVFOEVXJSCQ-ZBFHGGJFSA-N 1 1 335.448 0.474 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001266461938 835864307 /nfs/dbraw/zinc/86/43/07/835864307.db2.gz ZPLVABXDLPACPX-ZFWWWQNUSA-N 1 1 348.447 0.603 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001266461938 835864315 /nfs/dbraw/zinc/86/43/15/835864315.db2.gz ZPLVABXDLPACPX-ZFWWWQNUSA-N 1 1 348.447 0.603 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001266466869 835869040 /nfs/dbraw/zinc/86/90/40/835869040.db2.gz XTWSVVIDNSQGHR-QAPCUYQASA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001266466870 835869180 /nfs/dbraw/zinc/86/91/80/835869180.db2.gz XTWSVVIDNSQGHR-YJBOKZPZSA-N 1 1 337.464 0.886 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)COCc1nccn1C ZINC001266468039 835870591 /nfs/dbraw/zinc/87/05/91/835870591.db2.gz IKJSOGMIBIMLTL-OAHLLOKOSA-N 1 1 334.420 0.167 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)COCc1nccn1C ZINC001266468039 835870593 /nfs/dbraw/zinc/87/05/93/835870593.db2.gz IKJSOGMIBIMLTL-OAHLLOKOSA-N 1 1 334.420 0.167 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001266469204 835871608 /nfs/dbraw/zinc/87/16/08/835871608.db2.gz GTMLGMUYOXXJCN-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001266469826 835873176 /nfs/dbraw/zinc/87/31/76/835873176.db2.gz STXHPCHWVDUGQD-CABCVRRESA-N 1 1 338.452 0.113 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001266485678 835885496 /nfs/dbraw/zinc/88/54/96/835885496.db2.gz HMIKQNNASGMTFF-KGLIPLIRSA-N 1 1 329.466 0.164 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnccn2)C1 ZINC001266497216 835897643 /nfs/dbraw/zinc/89/76/43/835897643.db2.gz CEYNUZWHWDGDOH-HNNXBMFYSA-N 1 1 345.447 0.953 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnccn2)C1 ZINC001266497217 835897896 /nfs/dbraw/zinc/89/78/96/835897896.db2.gz CEYNUZWHWDGDOH-OAHLLOKOSA-N 1 1 345.447 0.953 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@H](CNC(=O)CSCC#N)C2)cc1=O ZINC001266500807 835900957 /nfs/dbraw/zinc/90/09/57/835900957.db2.gz WNNLBTIFWWHGPH-AWEZNQCLSA-N 1 1 334.445 0.580 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)COCC3CC3)C2)C1=O ZINC001266503507 835905013 /nfs/dbraw/zinc/90/50/13/835905013.db2.gz WKOJTEDXWVSURF-JKSUJKDBSA-N 1 1 335.448 0.638 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001266505861 835906882 /nfs/dbraw/zinc/90/68/82/835906882.db2.gz QTDLUECOULHDHW-CHWSQXEVSA-N 1 1 332.379 0.410 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001266505862 835907110 /nfs/dbraw/zinc/90/71/10/835907110.db2.gz QTDLUECOULHDHW-OLZOCXBDSA-N 1 1 332.379 0.410 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001266513539 835923707 /nfs/dbraw/zinc/92/37/07/835923707.db2.gz BKIIJJBQRHMEFN-CABCVRRESA-N 1 1 330.432 0.806 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001266513539 835923713 /nfs/dbraw/zinc/92/37/13/835923713.db2.gz BKIIJJBQRHMEFN-CABCVRRESA-N 1 1 330.432 0.806 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(OC)nn2)C1 ZINC001266514249 835925618 /nfs/dbraw/zinc/92/56/18/835925618.db2.gz OHRRQUXBYVCZQP-AWEZNQCLSA-N 1 1 332.404 0.463 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnc(C3CC3)o2)C1 ZINC001266518006 835929602 /nfs/dbraw/zinc/92/96/02/835929602.db2.gz ROKNJHNKIQACEB-LBPRGKRZSA-N 1 1 332.404 0.906 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](CNC(=O)c2cccc3ncnn32)C1 ZINC001266520847 835934598 /nfs/dbraw/zinc/93/45/98/835934598.db2.gz UUAXBHADMPSTNC-AWEZNQCLSA-N 1 1 329.404 0.984 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#C)cc2)C1 ZINC001266525582 835941008 /nfs/dbraw/zinc/94/10/08/835941008.db2.gz JTKVUSZTVGMKDY-WBVHZDCISA-N 1 1 337.423 0.858 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN(CC(=O)NCC#N)C2)C1 ZINC001266528403 835944204 /nfs/dbraw/zinc/94/42/04/835944204.db2.gz PAKOPNIKZLHRKN-HOTGVXAUSA-N 1 1 349.479 0.186 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001266533568 835951626 /nfs/dbraw/zinc/95/16/26/835951626.db2.gz MIOPGSGYFLBDEA-RRFJBIMHSA-N 1 1 329.400 0.571 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C2Cc3ccccc3C2)C1 ZINC001266537660 835956498 /nfs/dbraw/zinc/95/64/98/835956498.db2.gz PWBLFHRTHXGLSK-OAHLLOKOSA-N 1 1 339.439 0.589 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1sc(CC)nc1C)C1CC1 ZINC001266614298 836047604 /nfs/dbraw/zinc/04/76/04/836047604.db2.gz ZUSBVUQPBGVGQS-UHFFFAOYSA-N 1 1 348.472 0.958 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1sc(CC)nc1C)C1CC1 ZINC001266614298 836047610 /nfs/dbraw/zinc/04/76/10/836047610.db2.gz ZUSBVUQPBGVGQS-UHFFFAOYSA-N 1 1 348.472 0.958 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn(C)n2)C1 ZINC001266662144 836099265 /nfs/dbraw/zinc/09/92/65/836099265.db2.gz CIGGWCSJUSUTPZ-GDBMZVCRSA-N 1 1 345.447 0.649 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn(C)n2)C1 ZINC001266662148 836099803 /nfs/dbraw/zinc/09/98/03/836099803.db2.gz CIGGWCSJUSUTPZ-GOEBONIOSA-N 1 1 345.447 0.649 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nc[nH]n2)C1 ZINC001266664128 836101646 /nfs/dbraw/zinc/10/16/46/836101646.db2.gz VNHMQGUKHGVVQB-STQMWFEESA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H](C)NC(=O)CC)C1 ZINC001279490185 836199469 /nfs/dbraw/zinc/19/94/69/836199469.db2.gz KGGCVOSLXNKICB-YOEHRIQHSA-N 1 1 325.453 0.810 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCn2cccn2)C1 ZINC001266740100 836222256 /nfs/dbraw/zinc/22/22/56/836222256.db2.gz JRYZEJSAUASPQQ-CVEARBPZSA-N 1 1 345.447 0.239 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2cncnc2)C1 ZINC001266747183 836235166 /nfs/dbraw/zinc/23/51/66/836235166.db2.gz ORKUXCGXWUQNQO-ZIAGYGMSSA-N 1 1 331.420 0.609 20 30 ECEDMO COCC#CCN1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266750349 836240685 /nfs/dbraw/zinc/24/06/85/836240685.db2.gz VGOYNHILMWWBDD-AEFFLSMTSA-N 1 1 333.476 0.806 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001266751192 836241829 /nfs/dbraw/zinc/24/18/29/836241829.db2.gz CVQUXPARZWYKHO-AWEZNQCLSA-N 1 1 345.447 0.573 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC001266755764 836251771 /nfs/dbraw/zinc/25/17/71/836251771.db2.gz USTPCHJJJRXOKY-HNNXBMFYSA-N 1 1 343.427 0.877 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)Cn2nccc2C)C1 ZINC001266764556 836267427 /nfs/dbraw/zinc/26/74/27/836267427.db2.gz RZHJLYNTPQHUAM-HZPDHXFCSA-N 1 1 347.463 0.710 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cnoc2CC)C1 ZINC001266764342 836267994 /nfs/dbraw/zinc/26/79/94/836267994.db2.gz PHONCGSJEUJTOI-KBPBESRZSA-N 1 1 346.431 0.817 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NCC)C2)nn1 ZINC001266764207 836268203 /nfs/dbraw/zinc/26/82/03/836268203.db2.gz MMUUPFKHTUBUKR-ZDUSSCGKSA-N 1 1 334.424 0.042 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001266766659 836272972 /nfs/dbraw/zinc/27/29/72/836272972.db2.gz IHIWEDDMBOFANQ-KBPBESRZSA-N 1 1 336.436 0.769 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001266790119 836305931 /nfs/dbraw/zinc/30/59/31/836305931.db2.gz CGNUPNHDRSFUFO-LSDHHAIUSA-N 1 1 345.447 0.308 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC(N)=O)cc1 ZINC001266839805 836367533 /nfs/dbraw/zinc/36/75/33/836367533.db2.gz ISBFZRVGRZLKNG-HNNXBMFYSA-N 1 1 344.415 0.935 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)COC ZINC001266844762 836371912 /nfs/dbraw/zinc/37/19/12/836371912.db2.gz PLMBKWXEABBARJ-ZACQAIPSSA-N 1 1 337.464 0.062 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)Cn2ccnc2)C1=O ZINC001266860105 836399679 /nfs/dbraw/zinc/39/96/79/836399679.db2.gz XIPXABKIZXXZPX-HZPDHXFCSA-N 1 1 345.447 0.641 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)Cn2ccnc2)C1=O ZINC001266860105 836399688 /nfs/dbraw/zinc/39/96/88/836399688.db2.gz XIPXABKIZXXZPX-HZPDHXFCSA-N 1 1 345.447 0.641 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1C ZINC001266871129 836416489 /nfs/dbraw/zinc/41/64/89/836416489.db2.gz SZFCHXDGASSTOE-JKSUJKDBSA-N 1 1 334.464 0.191 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC(=O)N2CCOCC2)C1 ZINC001266896535 836447788 /nfs/dbraw/zinc/44/77/88/836447788.db2.gz CDUDXKSGNOQAAS-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2ccnc2)C1 ZINC001266897728 836448888 /nfs/dbraw/zinc/44/88/88/836448888.db2.gz PQRIBNNMFSKUJG-GJZGRUSLSA-N 1 1 333.436 0.402 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)n1cccc1 ZINC001266900700 836453632 /nfs/dbraw/zinc/45/36/32/836453632.db2.gz XYFFMHDRYXRVCI-LEOABGAYSA-N 1 1 328.416 0.233 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(F)(F)C1 ZINC001266901263 836456322 /nfs/dbraw/zinc/45/63/22/836456322.db2.gz VAQQCNRWMNAOIF-MEBFFEOJSA-N 1 1 339.386 0.606 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2nccn2CC)C1 ZINC001267106128 836785160 /nfs/dbraw/zinc/78/51/60/836785160.db2.gz OTCDOYARCAUVGB-CQSZACIVSA-N 1 1 333.436 0.742 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2nccn2CC)C1 ZINC001267106128 836785167 /nfs/dbraw/zinc/78/51/67/836785167.db2.gz OTCDOYARCAUVGB-CQSZACIVSA-N 1 1 333.436 0.742 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001267107310 836788456 /nfs/dbraw/zinc/78/84/56/836788456.db2.gz CCBHDNKPLDISAN-NBOOPKSLSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001267107310 836788461 /nfs/dbraw/zinc/78/84/61/836788461.db2.gz CCBHDNKPLDISAN-NBOOPKSLSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1)C(F)(F)F ZINC001267108730 836792414 /nfs/dbraw/zinc/79/24/14/836792414.db2.gz QFZGFLOZUWDORK-QWRGUYRKSA-N 1 1 334.342 0.747 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)C(F)(F)F ZINC001267108730 836792420 /nfs/dbraw/zinc/79/24/20/836792420.db2.gz QFZGFLOZUWDORK-QWRGUYRKSA-N 1 1 334.342 0.747 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2snnc2CC)C1 ZINC001267108715 836792580 /nfs/dbraw/zinc/79/25/80/836792580.db2.gz SCCUZWBHKLJEES-GFCCVEGCSA-N 1 1 349.460 0.386 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2snnc2CC)C1 ZINC001267108715 836792583 /nfs/dbraw/zinc/79/25/83/836792583.db2.gz SCCUZWBHKLJEES-GFCCVEGCSA-N 1 1 349.460 0.386 20 30 ECEDMO C=CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267109411 836793061 /nfs/dbraw/zinc/79/30/61/836793061.db2.gz YJOONLZVCZBQLB-CABCVRRESA-N 1 1 344.477 0.547 20 30 ECEDMO C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267109411 836793065 /nfs/dbraw/zinc/79/30/65/836793065.db2.gz YJOONLZVCZBQLB-CABCVRRESA-N 1 1 344.477 0.547 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001267111811 836797215 /nfs/dbraw/zinc/79/72/15/836797215.db2.gz SUXLVLAQNSJRGE-XJKSGUPXSA-N 1 1 327.400 0.340 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001267111811 836797220 /nfs/dbraw/zinc/79/72/20/836797220.db2.gz SUXLVLAQNSJRGE-XJKSGUPXSA-N 1 1 327.400 0.340 20 30 ECEDMO CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001267112124 836799121 /nfs/dbraw/zinc/79/91/21/836799121.db2.gz WPMMMXFCJZRFNG-GJZGRUSLSA-N 1 1 329.448 0.866 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001267168393 836894038 /nfs/dbraw/zinc/89/40/38/836894038.db2.gz AYSFOEHVMJKECZ-ZDUSSCGKSA-N 1 1 347.419 0.148 20 30 ECEDMO C=CCCC(=O)NCC[N@@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC001267187701 836943158 /nfs/dbraw/zinc/94/31/58/836943158.db2.gz AGLKDSOIXSJOOK-HNNXBMFYSA-N 1 1 333.436 0.930 20 30 ECEDMO C=CCCC(=O)NCC[N@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC001267187701 836943166 /nfs/dbraw/zinc/94/31/66/836943166.db2.gz AGLKDSOIXSJOOK-HNNXBMFYSA-N 1 1 333.436 0.930 20 30 ECEDMO C=CCOCC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001267198748 836965824 /nfs/dbraw/zinc/96/58/24/836965824.db2.gz ANIXWHYIJSCSMR-AWEZNQCLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)Cc2nc(CC)c[nH]2)C1=O ZINC001267201129 836976510 /nfs/dbraw/zinc/97/65/10/836976510.db2.gz WMFTVGUKWUXMDU-CQSZACIVSA-N 1 1 333.436 0.350 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)Cc2nc(CC)c[nH]2)C1=O ZINC001267201129 836976517 /nfs/dbraw/zinc/97/65/17/836976517.db2.gz WMFTVGUKWUXMDU-CQSZACIVSA-N 1 1 333.436 0.350 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc2[nH]ccc2n1 ZINC001267207037 836988889 /nfs/dbraw/zinc/98/88/89/836988889.db2.gz ZNBNLQBRTFIYPD-LBPRGKRZSA-N 1 1 327.388 0.362 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2[nH]ccc2n1 ZINC001267207037 836988903 /nfs/dbraw/zinc/98/89/03/836988903.db2.gz ZNBNLQBRTFIYPD-LBPRGKRZSA-N 1 1 327.388 0.362 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001267230255 837031911 /nfs/dbraw/zinc/03/19/11/837031911.db2.gz JSVYNNLDJXGKEY-UHFFFAOYSA-N 1 1 328.372 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)CCc2cnn(C)c2)C1=O ZINC001267233393 837039890 /nfs/dbraw/zinc/03/98/90/837039890.db2.gz SSUKSIUILLHZGK-HNNXBMFYSA-N 1 1 333.436 0.188 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)CCc2cnn(C)c2)C1=O ZINC001267233393 837039900 /nfs/dbraw/zinc/03/99/00/837039900.db2.gz SSUKSIUILLHZGK-HNNXBMFYSA-N 1 1 333.436 0.188 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)C[C@H]1C(=O)Nc2ccccc21 ZINC001267233895 837040072 /nfs/dbraw/zinc/04/00/72/837040072.db2.gz WNVBNRACVXSBEL-OAHLLOKOSA-N 1 1 329.400 0.810 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cc(C2CC2)nn1C ZINC001267242576 837052388 /nfs/dbraw/zinc/05/23/88/837052388.db2.gz QXOQBZVAKBBJKZ-CYBMUJFWSA-N 1 1 345.447 0.487 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cc(C2CC2)nn1C ZINC001267242576 837052400 /nfs/dbraw/zinc/05/24/00/837052400.db2.gz QXOQBZVAKBBJKZ-CYBMUJFWSA-N 1 1 345.447 0.487 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2ccc(C(N)=O)o2)C1=O ZINC001267244655 837056870 /nfs/dbraw/zinc/05/68/70/837056870.db2.gz LMWFTEJPUMPWPS-LBPRGKRZSA-N 1 1 348.403 0.217 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2ccc(OC)nc2)C1=O ZINC001267244837 837057964 /nfs/dbraw/zinc/05/79/64/837057964.db2.gz SHGYLBUXHZRYIK-HNNXBMFYSA-N 1 1 346.431 0.929 20 30 ECEDMO CC[N@H+](CCNC(=O)Cc1ccc2c[nH]nc2c1)CC(=O)NCC#N ZINC001267255029 837075241 /nfs/dbraw/zinc/07/52/41/837075241.db2.gz OSDLJIICYRNWNC-UHFFFAOYSA-N 1 1 342.403 0.183 20 30 ECEDMO CC[N@@H+](CCNC(=O)Cc1ccc2c[nH]nc2c1)CC(=O)NCC#N ZINC001267255029 837075247 /nfs/dbraw/zinc/07/52/47/837075247.db2.gz OSDLJIICYRNWNC-UHFFFAOYSA-N 1 1 342.403 0.183 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1nc(C)c(C)s1 ZINC001267255785 837078620 /nfs/dbraw/zinc/07/86/20/837078620.db2.gz COMHGFQXGYZDLT-LBPRGKRZSA-N 1 1 336.461 0.950 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1nc(C)c(C)s1 ZINC001267255785 837078626 /nfs/dbraw/zinc/07/86/26/837078626.db2.gz COMHGFQXGYZDLT-LBPRGKRZSA-N 1 1 336.461 0.950 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)nn1C ZINC001267260778 837091191 /nfs/dbraw/zinc/09/11/91/837091191.db2.gz NGQAATIRESDKDF-KBPBESRZSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)nn1C ZINC001267260778 837091197 /nfs/dbraw/zinc/09/11/97/837091197.db2.gz NGQAATIRESDKDF-KBPBESRZSA-N 1 1 333.436 0.613 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)CC(N)=O)cc1 ZINC001267264190 837099085 /nfs/dbraw/zinc/09/90/85/837099085.db2.gz QOJSMKSDYUINDC-CQSZACIVSA-N 1 1 330.388 0.545 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)Cc2nnc(C)o2)C1=O ZINC001267266855 837102924 /nfs/dbraw/zinc/10/29/24/837102924.db2.gz MNGDCNCBLKXGHI-KBPBESRZSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)Cc2nnc(C)o2)C1=O ZINC001267266855 837102934 /nfs/dbraw/zinc/10/29/34/837102934.db2.gz MNGDCNCBLKXGHI-KBPBESRZSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001267267040 837103039 /nfs/dbraw/zinc/10/30/39/837103039.db2.gz KPBPRZHEDMFFFI-OLZOCXBDSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001267270867 837110317 /nfs/dbraw/zinc/11/03/17/837110317.db2.gz NPERQWKKBCRFCU-LBPRGKRZSA-N 1 1 335.408 0.305 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001267270867 837110321 /nfs/dbraw/zinc/11/03/21/837110321.db2.gz NPERQWKKBCRFCU-LBPRGKRZSA-N 1 1 335.408 0.305 20 30 ECEDMO CC#CCCCC(=O)NC[C@H]1CCC[N@H+]1CCCN1C(=O)CNC1=O ZINC001267273591 837114716 /nfs/dbraw/zinc/11/47/16/837114716.db2.gz XQNLTTPOLZXALZ-OAHLLOKOSA-N 1 1 348.447 0.703 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1C[C@H](C)OC ZINC001267283312 837132141 /nfs/dbraw/zinc/13/21/41/837132141.db2.gz LSEJRLVDBPJTMD-KBPBESRZSA-N 1 1 340.468 0.866 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001267283569 837133226 /nfs/dbraw/zinc/13/32/26/837133226.db2.gz NULSOGVDVDPMIG-AEFFLSMTSA-N 1 1 337.464 0.768 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001267283569 837133233 /nfs/dbraw/zinc/13/32/33/837133233.db2.gz NULSOGVDVDPMIG-AEFFLSMTSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ncccc2C)C1 ZINC001267288637 837138025 /nfs/dbraw/zinc/13/80/25/837138025.db2.gz AEHKLUZURXIHJK-CABCVRRESA-N 1 1 328.416 0.580 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CCc2ccnn2C)C1 ZINC001267294264 837147684 /nfs/dbraw/zinc/14/76/84/837147684.db2.gz FPNLRZPFGPKDBO-GJZGRUSLSA-N 1 1 347.463 0.482 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001267296925 837156108 /nfs/dbraw/zinc/15/61/08/837156108.db2.gz XYRMVZHLCUXVFQ-CQSZACIVSA-N 1 1 326.462 0.805 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001267302930 837167482 /nfs/dbraw/zinc/16/74/82/837167482.db2.gz IXSNUKSNVLVSDN-GDBMZVCRSA-N 1 1 348.451 0.224 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001267302930 837167486 /nfs/dbraw/zinc/16/74/86/837167486.db2.gz IXSNUKSNVLVSDN-GDBMZVCRSA-N 1 1 348.451 0.224 20 30 ECEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CCC1 ZINC001267303364 837171487 /nfs/dbraw/zinc/17/14/87/837171487.db2.gz YSOVJTQDQJTTCP-CQSZACIVSA-N 1 1 348.447 0.723 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(C)CC(F)(F)C2)C1 ZINC001267306106 837175916 /nfs/dbraw/zinc/17/59/16/837175916.db2.gz DKFISYPQTKHWCH-OLZOCXBDSA-N 1 1 341.402 0.998 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001267306841 837179291 /nfs/dbraw/zinc/17/92/91/837179291.db2.gz XTSJLPOAOCAHPT-CQSZACIVSA-N 1 1 341.415 0.670 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2noc3c2COCC3)C1 ZINC001267308535 837183660 /nfs/dbraw/zinc/18/36/60/837183660.db2.gz AQTMRUUXODCCGU-GFCCVEGCSA-N 1 1 348.403 0.101 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCC)CCNC(=O)c2cnn(C)n2)C1=O ZINC001267317964 837193827 /nfs/dbraw/zinc/19/38/27/837193827.db2.gz CZOUSSLFSDMLHX-AWEZNQCLSA-N 1 1 334.424 0.044 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@H]1CCc2nncn2C1)C1CC1 ZINC001267337874 837221684 /nfs/dbraw/zinc/22/16/84/837221684.db2.gz LJUFDWMSGABEGR-AWEZNQCLSA-N 1 1 331.420 0.071 20 30 ECEDMO C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1ccn(-c2ccncc2)n1 ZINC001267402083 837343636 /nfs/dbraw/zinc/34/36/36/837343636.db2.gz ZLCNXPAVYVNUOZ-UHFFFAOYSA-N 1 1 342.403 0.231 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC001267580814 837841331 /nfs/dbraw/zinc/84/13/31/837841331.db2.gz DSBIXCNPKKIIJH-TZMCWYRMSA-N 1 1 332.404 0.515 20 30 ECEDMO C=CC[N@H+]1CC[C@H](CCNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001267583288 837850639 /nfs/dbraw/zinc/85/06/39/837850639.db2.gz LEVXWQQCGXLHOP-GJZGRUSLSA-N 1 1 333.436 0.942 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2cscn2)C1 ZINC001267583809 837853837 /nfs/dbraw/zinc/85/38/37/837853837.db2.gz SGUMZCKWJOFLRR-UONOGXRCSA-N 1 1 348.472 0.652 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CCNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001267584682 837857078 /nfs/dbraw/zinc/85/70/78/837857078.db2.gz ZRDPXWXFHYLPFN-SNVBAGLBSA-N 1 1 329.326 0.909 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267585159 837858079 /nfs/dbraw/zinc/85/80/79/837858079.db2.gz PJJQRABUJRIZPD-AWEZNQCLSA-N 1 1 345.447 0.044 20 30 ECEDMO CC(C)c1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C2)no1 ZINC001267586857 837865544 /nfs/dbraw/zinc/86/55/44/837865544.db2.gz AYDNLJAJPFGSAS-CYBMUJFWSA-N 1 1 347.419 0.832 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001267586939 837866479 /nfs/dbraw/zinc/86/64/79/837866479.db2.gz CJXQDNKCLZLTSU-GFCCVEGCSA-N 1 1 349.391 0.080 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267587294 837867991 /nfs/dbraw/zinc/86/79/91/837867991.db2.gz KWKLYDPKGICTRY-ZDUSSCGKSA-N 1 1 325.376 0.084 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001267588959 837874682 /nfs/dbraw/zinc/87/46/82/837874682.db2.gz GMFXVELIHKWPHI-CABCVRRESA-N 1 1 345.509 0.917 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)c2cc(C3CC3)no2)C1 ZINC001267590028 837877268 /nfs/dbraw/zinc/87/72/68/837877268.db2.gz OSLMZCXUSWMIAP-LBPRGKRZSA-N 1 1 345.403 0.586 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCN2CCCC2=O)C1 ZINC001267590363 837877741 /nfs/dbraw/zinc/87/77/41/837877741.db2.gz RTOMGJDTDYZZAX-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCOCC(=O)N1CCC(C[N@H+](C)[C@H](C)C(=O)N(C)C)CC1 ZINC001267597631 837903052 /nfs/dbraw/zinc/90/30/52/837903052.db2.gz FNEINPMMAIHEGJ-CQSZACIVSA-N 1 1 325.453 0.836 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)c2cccn2C)CC1 ZINC001267597942 837905677 /nfs/dbraw/zinc/90/56/77/837905677.db2.gz NLYZOQLMRKODBM-HNNXBMFYSA-N 1 1 344.459 0.947 20 30 ECEDMO C#CC[N@H+](C)CC1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC001267599824 837914188 /nfs/dbraw/zinc/91/41/88/837914188.db2.gz DNTJQXMZJOEVIA-OAHLLOKOSA-N 1 1 343.418 0.756 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001267604952 837939698 /nfs/dbraw/zinc/93/96/98/837939698.db2.gz ISCNJMCPAFRPPI-LSDHHAIUSA-N 1 1 348.447 0.271 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H](C)C(=O)NCCC)C1 ZINC001267628007 838080593 /nfs/dbraw/zinc/08/05/93/838080593.db2.gz KNOMJYJEIWWREG-ULQDDVLXSA-N 1 1 348.491 0.579 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H](C)C(=O)NCCC)C1 ZINC001267628007 838080599 /nfs/dbraw/zinc/08/05/99/838080599.db2.gz KNOMJYJEIWWREG-ULQDDVLXSA-N 1 1 348.491 0.579 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001267633432 838096113 /nfs/dbraw/zinc/09/61/13/838096113.db2.gz YLJAHOUTIOFMER-GJZGRUSLSA-N 1 1 347.463 0.434 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001267633434 838096350 /nfs/dbraw/zinc/09/63/50/838096350.db2.gz YLJAHOUTIOFMER-LSDHHAIUSA-N 1 1 347.463 0.434 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC2CC2)C1 ZINC001267647292 838134684 /nfs/dbraw/zinc/13/46/84/838134684.db2.gz WAFNNIVYQYRUFP-ZBFHGGJFSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CCOC[C@H]2CCCO2)C1 ZINC001267649637 838141946 /nfs/dbraw/zinc/14/19/46/838141946.db2.gz UHVFQHXTSVBDEC-SJORKVTESA-N 1 1 335.448 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCOC[C@H]2CCCO2)C1 ZINC001267649637 838141953 /nfs/dbraw/zinc/14/19/53/838141953.db2.gz UHVFQHXTSVBDEC-SJORKVTESA-N 1 1 335.448 0.080 20 30 ECEDMO C#CCNC(=O)CN1CC(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001267653723 838158468 /nfs/dbraw/zinc/15/84/68/838158468.db2.gz BDTNDNWALYWYPB-UHFFFAOYSA-N 1 1 334.464 0.191 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001267657886 838169957 /nfs/dbraw/zinc/16/99/57/838169957.db2.gz HJEIIQYRWPTLGP-WMLDXEAASA-N 1 1 325.412 0.927 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn3ncccc23)C1 ZINC001267659345 838179436 /nfs/dbraw/zinc/17/94/36/838179436.db2.gz YTYZWYKPRQMNSF-OAHLLOKOSA-N 1 1 341.415 0.773 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001267685928 838252740 /nfs/dbraw/zinc/25/27/40/838252740.db2.gz JLKILCZBWUVKNW-UHFFFAOYSA-N 1 1 342.399 0.992 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001267689348 838258736 /nfs/dbraw/zinc/25/87/36/838258736.db2.gz DFXRQWVIYPAAKV-KGLIPLIRSA-N 1 1 333.436 0.423 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001267690329 838259061 /nfs/dbraw/zinc/25/90/61/838259061.db2.gz MIYCTGFGRMSNND-AWEZNQCLSA-N 1 1 346.497 0.129 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001267714051 838335000 /nfs/dbraw/zinc/33/50/00/838335000.db2.gz ZFSGDYMICVKJLB-KKUMJFAQSA-N 1 1 346.431 0.567 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001267719626 838372554 /nfs/dbraw/zinc/37/25/54/838372554.db2.gz HMBXHOAZUGESMM-DUYRLRNSSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001267719626 838372565 /nfs/dbraw/zinc/37/25/65/838372565.db2.gz HMBXHOAZUGESMM-DUYRLRNSSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001267722226 838374357 /nfs/dbraw/zinc/37/43/57/838374357.db2.gz ATRAZPLWCLRZBJ-KGLIPLIRSA-N 1 1 330.450 0.204 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001267722226 838374364 /nfs/dbraw/zinc/37/43/64/838374364.db2.gz ATRAZPLWCLRZBJ-KGLIPLIRSA-N 1 1 330.450 0.204 20 30 ECEDMO CN(CC[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1)S(C)(=O)=O ZINC001267723714 838379767 /nfs/dbraw/zinc/37/97/67/838379767.db2.gz HJJFSYKPQHPEAQ-ZDUSSCGKSA-N 1 1 329.466 0.118 20 30 ECEDMO CN(CC[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1)S(C)(=O)=O ZINC001267723714 838379776 /nfs/dbraw/zinc/37/97/76/838379776.db2.gz HJJFSYKPQHPEAQ-ZDUSSCGKSA-N 1 1 329.466 0.118 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001267725529 838397022 /nfs/dbraw/zinc/39/70/22/838397022.db2.gz QALDHRNTUWIPLM-LBPRGKRZSA-N 1 1 331.376 0.670 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001267725866 838399778 /nfs/dbraw/zinc/39/97/78/838399778.db2.gz HIMLZZBCIPXGBE-AWEZNQCLSA-N 1 1 343.383 0.471 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001267725866 838399786 /nfs/dbraw/zinc/39/97/86/838399786.db2.gz HIMLZZBCIPXGBE-AWEZNQCLSA-N 1 1 343.383 0.471 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC001267730432 838416577 /nfs/dbraw/zinc/41/65/77/838416577.db2.gz WNJBZWPZNMGCDC-MRXNPFEDSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001267732791 838421531 /nfs/dbraw/zinc/42/15/31/838421531.db2.gz OHNPXWLHGWQNPL-NEPJUHHUSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001267732791 838421536 /nfs/dbraw/zinc/42/15/36/838421536.db2.gz OHNPXWLHGWQNPL-NEPJUHHUSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001267733704 838423720 /nfs/dbraw/zinc/42/37/20/838423720.db2.gz ZMFFTUXRIVUFQP-SJORKVTESA-N 1 1 348.491 0.518 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC001267733538 838425998 /nfs/dbraw/zinc/42/59/98/838425998.db2.gz SJVDDQBRJGNAQU-GDBMZVCRSA-N 1 1 335.448 0.331 20 30 ECEDMO CCN(CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(=O)[C@H](C)C#N ZINC001408789242 838432079 /nfs/dbraw/zinc/43/20/79/838432079.db2.gz YZZBVBZHKFBZFZ-OCCSQVGLSA-N 1 1 331.420 0.878 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267739315 838438492 /nfs/dbraw/zinc/43/84/92/838438492.db2.gz OATQQIYABIBUPJ-OAHLLOKOSA-N 1 1 341.415 0.891 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267739315 838438496 /nfs/dbraw/zinc/43/84/96/838438496.db2.gz OATQQIYABIBUPJ-OAHLLOKOSA-N 1 1 341.415 0.891 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC(C)(F)F)C1 ZINC001267748618 838461364 /nfs/dbraw/zinc/46/13/64/838461364.db2.gz BHEQIUHVDJMLJF-GHMZBOCLSA-N 1 1 346.378 0.623 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC(C)(F)F)C1 ZINC001267748618 838461365 /nfs/dbraw/zinc/46/13/65/838461365.db2.gz BHEQIUHVDJMLJF-GHMZBOCLSA-N 1 1 346.378 0.623 20 30 ECEDMO CN(C(=O)CSCC#N)[C@@H]1CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001267756910 838482374 /nfs/dbraw/zinc/48/23/74/838482374.db2.gz OXWKOWUJGIRWDA-UONOGXRCSA-N 1 1 338.477 0.692 20 30 ECEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001267758901 838484706 /nfs/dbraw/zinc/48/47/06/838484706.db2.gz SCMOQWFBKWXGAZ-OAHLLOKOSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001267761165 838487647 /nfs/dbraw/zinc/48/76/47/838487647.db2.gz CDYAYZPROOQCHI-CABCVRRESA-N 1 1 331.420 0.338 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267761067 838488765 /nfs/dbraw/zinc/48/87/65/838488765.db2.gz AKUQGZJUCHPMPX-CABCVRRESA-N 1 1 326.462 0.613 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267761067 838488767 /nfs/dbraw/zinc/48/87/67/838488767.db2.gz AKUQGZJUCHPMPX-CABCVRRESA-N 1 1 326.462 0.613 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCNS(C)(=O)=O)C2)CC1 ZINC001267771243 838519806 /nfs/dbraw/zinc/51/98/06/838519806.db2.gz BTZAGQKNHPUTQH-HNNXBMFYSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)CC1 ZINC001267771243 838519810 /nfs/dbraw/zinc/51/98/10/838519810.db2.gz BTZAGQKNHPUTQH-HNNXBMFYSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)COc2ccccc2)C1 ZINC001267778091 838544838 /nfs/dbraw/zinc/54/48/38/838544838.db2.gz WWJWYXPJWOPUFU-HOTGVXAUSA-N 1 1 343.427 0.736 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)COc2ccccc2)C1 ZINC001267778091 838544842 /nfs/dbraw/zinc/54/48/42/838544842.db2.gz WWJWYXPJWOPUFU-HOTGVXAUSA-N 1 1 343.427 0.736 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)N(CC)C2CC2)C1 ZINC001267787210 838563575 /nfs/dbraw/zinc/56/35/75/838563575.db2.gz XREPRFULQASPEC-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CC[N@H+](CC(=O)N(CC)C2CC2)C1 ZINC001267787210 838563579 /nfs/dbraw/zinc/56/35/79/838563579.db2.gz XREPRFULQASPEC-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)N(CC)C2CC2)C1 ZINC001267787211 838564195 /nfs/dbraw/zinc/56/41/95/838564195.db2.gz XREPRFULQASPEC-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@H+](CC(=O)N(CC)C2CC2)C1 ZINC001267787211 838564201 /nfs/dbraw/zinc/56/42/01/838564201.db2.gz XREPRFULQASPEC-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO C[N@@H+]1CCCC[C@H]1C(=O)NCCC1CCN(CC(=O)NCC#N)CC1 ZINC001267944736 838832416 /nfs/dbraw/zinc/83/24/16/838832416.db2.gz JWCNGJBCVPFBIH-INIZCTEOSA-N 1 1 349.479 0.329 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCCC1CCN(CC(=O)NCC#N)CC1 ZINC001267944736 838832427 /nfs/dbraw/zinc/83/24/27/838832427.db2.gz JWCNGJBCVPFBIH-INIZCTEOSA-N 1 1 349.479 0.329 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnnc2C(C)C)C1 ZINC001267968941 838887768 /nfs/dbraw/zinc/88/77/68/838887768.db2.gz FEOOHDORGZDRCD-CQSZACIVSA-N 1 1 334.424 0.027 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nnnc2C(C)C)C1 ZINC001267968941 838887781 /nfs/dbraw/zinc/88/77/81/838887781.db2.gz FEOOHDORGZDRCD-CQSZACIVSA-N 1 1 334.424 0.027 20 30 ECEDMO COCC#CC[N@H+]1CCC2(C1)CCN(C(=O)c1nccnc1N)CC2 ZINC001267972972 838906167 /nfs/dbraw/zinc/90/61/67/838906167.db2.gz YHLMYBCOFYDQMM-UHFFFAOYSA-N 1 1 343.431 0.637 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)c1n[nH]cc1F)CC2 ZINC001267974166 838908716 /nfs/dbraw/zinc/90/87/16/838908716.db2.gz OJSWGVQUOKSSCD-UHFFFAOYSA-N 1 1 347.394 0.226 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CC#CCOC)CCO2)CC[N@H+]1C ZINC001268021066 838996461 /nfs/dbraw/zinc/99/64/61/838996461.db2.gz BHHYSQGVOIYBGV-IXDOHACOSA-N 1 1 337.464 0.184 20 30 ECEDMO COCC#CCN1CCO[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001268027098 839034297 /nfs/dbraw/zinc/03/42/97/839034297.db2.gz YRWCIXIQRHGCFU-SJORKVTESA-N 1 1 337.464 0.328 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2c(=O)oc3ccccc32)C1 ZINC001268028955 839044111 /nfs/dbraw/zinc/04/41/11/839044111.db2.gz QOQWWTLTTZEJBM-AWEZNQCLSA-N 1 1 343.383 0.435 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@H](CNC(=O)Cn2c(=O)oc3ccccc32)C1 ZINC001268028955 839044123 /nfs/dbraw/zinc/04/41/23/839044123.db2.gz QOQWWTLTTZEJBM-AWEZNQCLSA-N 1 1 343.383 0.435 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCOC1)CC2 ZINC001268043721 839196227 /nfs/dbraw/zinc/19/62/27/839196227.db2.gz NSDMHPDAAYTTTA-HOTGVXAUSA-N 1 1 347.459 0.475 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)N1CCC2(C[NH+](CC(=O)NC)C2)CC1 ZINC001268044629 839203649 /nfs/dbraw/zinc/20/36/49/839203649.db2.gz GUXGCTLLMJCSBD-QGZVFWFLSA-N 1 1 337.464 0.886 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001268060070 839244283 /nfs/dbraw/zinc/24/42/83/839244283.db2.gz LUKVKNXXTIDIIB-HOTGVXAUSA-N 1 1 347.463 0.911 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[C@@](C)(O)C3CC3)CC2)C1=O ZINC000980996849 839297967 /nfs/dbraw/zinc/29/79/67/839297967.db2.gz NIGMVOXVZDSGEC-VQIMIIECSA-N 1 1 349.475 0.859 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[C@@](C)(O)C3CC3)CC2)C1=O ZINC000980996849 839297979 /nfs/dbraw/zinc/29/79/79/839297979.db2.gz NIGMVOXVZDSGEC-VQIMIIECSA-N 1 1 349.475 0.859 20 30 ECEDMO C[C@@H](C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)n1cnc(C#N)n1 ZINC000428547598 210266947 /nfs/dbraw/zinc/26/69/47/210266947.db2.gz MMECAWDHBXTAFP-WFASDCNBSA-N 1 1 340.387 0.916 20 30 ECEDMO N#Cc1cccc(NCC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000426618229 210158758 /nfs/dbraw/zinc/15/87/58/210158758.db2.gz DJNKLZLBZVIUBT-OAHLLOKOSA-N 1 1 329.404 0.426 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000178137602 530055502 /nfs/dbraw/zinc/05/55/02/530055502.db2.gz LTDAMDREVYUQKY-QGZVFWFLSA-N 1 1 340.427 0.866 20 30 ECEDMO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331305286 283397946 /nfs/dbraw/zinc/39/79/46/283397946.db2.gz RFUSDUQWQAIQAR-KGLIPLIRSA-N 1 1 339.484 0.431 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)NC)C3)C2)c1 ZINC001041660380 781942059 /nfs/dbraw/zinc/94/20/59/781942059.db2.gz OJOMFYSDYFUQQW-GOSISDBHSA-N 1 1 326.400 0.347 20 30 ECEDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000440262682 210814822 /nfs/dbraw/zinc/81/48/22/210814822.db2.gz CUVFGQNIYYBVJF-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO COC(=O)[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000267643457 251218480 /nfs/dbraw/zinc/21/84/80/251218480.db2.gz WCOLLJDGFYNIFA-IRXDYDNUSA-N 1 1 347.415 0.397 20 30 ECEDMO COC(=O)[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411909753 208163956 /nfs/dbraw/zinc/16/39/56/208163956.db2.gz RQUXENIPTVWLSX-HOTGVXAUSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@H]1CN(C)CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000411909753 208163962 /nfs/dbraw/zinc/16/39/62/208163962.db2.gz RQUXENIPTVWLSX-HOTGVXAUSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@H]1CN(C)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000411909753 208163966 /nfs/dbraw/zinc/16/39/66/208163966.db2.gz RQUXENIPTVWLSX-HOTGVXAUSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)NCc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000413095966 208283128 /nfs/dbraw/zinc/28/31/28/208283128.db2.gz ATEBDHNCKVDRME-OAHLLOKOSA-N 1 1 330.388 0.804 20 30 ECEDMO C[C@H](CNC(=O)N1CCc2c(ncn(C)c2=O)C1)C[NH+]1CCOCC1 ZINC000330076878 254626961 /nfs/dbraw/zinc/62/69/61/254626961.db2.gz DYSRYJBXWUQJPO-CYBMUJFWSA-N 1 1 349.435 0.021 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000491406011 254913234 /nfs/dbraw/zinc/91/32/34/254913234.db2.gz LRIPOFUXYMJRTI-UHFFFAOYSA-N 1 1 337.427 0.739 20 30 ECEDMO C[N@@H+](C[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1CC1 ZINC000496920497 255142227 /nfs/dbraw/zinc/14/22/27/255142227.db2.gz MFBUHJWOQPEMCA-HUUCEWRRSA-N 1 1 338.452 0.886 20 30 ECEDMO O=C(C[NH+](CCO)CCO)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000154918514 224327138 /nfs/dbraw/zinc/32/71/38/224327138.db2.gz JVFFRUAZOBGUSH-UHFFFAOYSA-N 1 1 344.333 0.460 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccn3cc(C)nc23)C1 ZINC001077961321 782019544 /nfs/dbraw/zinc/01/95/44/782019544.db2.gz HYFXGQFDRMEDMH-ZIAGYGMSSA-N 1 1 329.404 0.779 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)C(=O)Nc2cccc(C#N)c2)CC1(C)C ZINC000282064825 264010006 /nfs/dbraw/zinc/01/00/06/264010006.db2.gz QMOZYYOZHLMUND-UHFFFAOYSA-N 1 1 343.431 0.639 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1C#N ZINC000284367939 264203976 /nfs/dbraw/zinc/20/39/76/264203976.db2.gz BVRGXIMYWHTTEV-LSDHHAIUSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1C#N ZINC000284367939 264203979 /nfs/dbraw/zinc/20/39/79/264203979.db2.gz BVRGXIMYWHTTEV-LSDHHAIUSA-N 1 1 335.429 0.960 20 30 ECEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](CS(N)(=O)=O)C3)n2c1 ZINC000353528633 270006913 /nfs/dbraw/zinc/00/69/13/270006913.db2.gz OEKKVSURMJJSGO-ZDUSSCGKSA-N 1 1 333.417 0.706 20 30 ECEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](CS(N)(=O)=O)C3)n2c1 ZINC000353528633 270006914 /nfs/dbraw/zinc/00/69/14/270006914.db2.gz OEKKVSURMJJSGO-ZDUSSCGKSA-N 1 1 333.417 0.706 20 30 ECEDMO N#Cc1cccnc1N1CCC[N@H+](CCCC(=O)NC(N)=O)CC1 ZINC000362996837 270007345 /nfs/dbraw/zinc/00/73/45/270007345.db2.gz GNTWVIDCFVHJOQ-UHFFFAOYSA-N 1 1 330.392 0.440 20 30 ECEDMO N#Cc1ccc(CC(=O)NCC2([NH+]3CCOCC3)CCOCC2)cn1 ZINC000529478317 270008222 /nfs/dbraw/zinc/00/82/22/270008222.db2.gz IMTXMJSZIFRNRS-UHFFFAOYSA-N 1 1 344.415 0.493 20 30 ECEDMO C[C@@H]1[C@@H](N2CCOCC2)CC[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352036526 267105528 /nfs/dbraw/zinc/10/55/28/267105528.db2.gz HIRQXDUVQPJMHM-COXVUDFISA-N 1 1 328.416 0.880 20 30 ECEDMO C[C@@H]1[C@@H](N2CCOCC2)CC[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352036526 267105532 /nfs/dbraw/zinc/10/55/32/267105532.db2.gz HIRQXDUVQPJMHM-COXVUDFISA-N 1 1 328.416 0.880 20 30 ECEDMO N#Cc1ccc(C(=O)NCCCCN2CC[NH+](CCO)CC2)s1 ZINC000340232641 268032096 /nfs/dbraw/zinc/03/20/96/268032096.db2.gz YGQPFYYVJMLIFD-UHFFFAOYSA-N 1 1 336.461 0.740 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000368974543 268067887 /nfs/dbraw/zinc/06/78/87/268067887.db2.gz NYXSIGHMOJJNFV-ZOBUZTSGSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000368974543 268067891 /nfs/dbraw/zinc/06/78/91/268067891.db2.gz NYXSIGHMOJJNFV-ZOBUZTSGSA-N 1 1 326.400 0.760 20 30 ECEDMO Cn1ncc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C#N ZINC000527240356 268132997 /nfs/dbraw/zinc/13/29/97/268132997.db2.gz YUISZRDPKDBKAA-UHFFFAOYSA-N 1 1 330.436 0.580 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000329759143 276195839 /nfs/dbraw/zinc/19/58/39/276195839.db2.gz OMRGOUIEAYYXAS-TWMKSMIVSA-N 1 1 338.496 0.877 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCC)c2C2CC2)C1 ZINC001077974075 782050501 /nfs/dbraw/zinc/05/05/01/782050501.db2.gz HODCIYYRAULJTN-HZPDHXFCSA-N 1 1 330.432 0.969 20 30 ECEDMO CCCCc1nnc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)s1 ZINC000330716428 437597514 /nfs/dbraw/zinc/59/75/14/437597514.db2.gz UGSBZIXGVSAMOZ-NSHDSACASA-N 1 1 326.470 1.452 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000189415560 437599786 /nfs/dbraw/zinc/59/97/86/437599786.db2.gz WIRDLMKPAKYHFT-UHFFFAOYSA-N 1 1 330.388 0.127 20 30 ECEDMO C[C@@H](CC#N)N(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000330723466 437600061 /nfs/dbraw/zinc/60/00/61/437600061.db2.gz YYONFXNZTJIABK-GJZGRUSLSA-N 1 1 336.436 0.460 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000374413742 279225820 /nfs/dbraw/zinc/22/58/20/279225820.db2.gz DXDQIKIEZMESFW-HZSPNIEDSA-N 1 1 330.454 0.166 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276488352 289257585 /nfs/dbraw/zinc/25/75/85/289257585.db2.gz UQZFURBFXYBAPH-DYVFJYSZSA-N 1 1 330.388 0.244 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276488352 289257587 /nfs/dbraw/zinc/25/75/87/289257587.db2.gz UQZFURBFXYBAPH-DYVFJYSZSA-N 1 1 330.388 0.244 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@H]1C ZINC000329804392 290087705 /nfs/dbraw/zinc/08/77/05/290087705.db2.gz ZZBQCIITZDKVPL-JYYAWHABSA-N 1 1 341.452 0.625 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000011098236 436041804 /nfs/dbraw/zinc/04/18/04/436041804.db2.gz AGTBGWHBUJMAQT-UHFFFAOYSA-N 1 1 344.415 0.893 20 30 ECEDMO C=C(Cl)CNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000072620370 436049518 /nfs/dbraw/zinc/04/95/18/436049518.db2.gz OKKLIVWXYAOSPS-UHFFFAOYSA-N 1 1 338.795 0.994 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)C1 ZINC000081370091 436343125 /nfs/dbraw/zinc/34/31/25/436343125.db2.gz ODCRABXJJSADJK-NVXWUHKLSA-N 1 1 328.416 0.974 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)C1 ZINC000081370091 436343128 /nfs/dbraw/zinc/34/31/28/436343128.db2.gz ODCRABXJJSADJK-NVXWUHKLSA-N 1 1 328.416 0.974 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc(C#N)cn1C ZINC000081729934 436353789 /nfs/dbraw/zinc/35/37/89/436353789.db2.gz GEYSJDLBPVDJCX-CQSZACIVSA-N 1 1 331.420 0.569 20 30 ECEDMO N#C[C@H]1COCCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000089130498 436405447 /nfs/dbraw/zinc/40/54/47/436405447.db2.gz FXIJQZWOFOCZKH-KRWDZBQOSA-N 1 1 328.416 0.555 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000050091563 436473988 /nfs/dbraw/zinc/47/39/88/436473988.db2.gz UJRYLBJYHIJEOZ-UHFFFAOYSA-N 1 1 345.403 0.852 20 30 ECEDMO C[NH+]1CCN([C@H](C(=O)N2CCO[C@H](C#N)C2)c2ccccc2)CC1 ZINC000106291824 436591980 /nfs/dbraw/zinc/59/19/80/436591980.db2.gz SEPOHOPBOQCMMJ-SJORKVTESA-N 1 1 328.416 0.726 20 30 ECEDMO C[C@H]1C[N@H+](C2CCN(CC(=O)N(CCC#N)CCC#N)CC2)CCO1 ZINC000066561874 436689559 /nfs/dbraw/zinc/68/95/59/436689559.db2.gz CEDQOKTUDFLMFB-INIZCTEOSA-N 1 1 347.463 0.827 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000195520886 436694170 /nfs/dbraw/zinc/69/41/70/436694170.db2.gz OFPOOUGBMIJFNL-GFCCVEGCSA-N 1 1 332.408 0.416 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000195520886 436694173 /nfs/dbraw/zinc/69/41/73/436694173.db2.gz OFPOOUGBMIJFNL-GFCCVEGCSA-N 1 1 332.408 0.416 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119682342 436668584 /nfs/dbraw/zinc/66/85/84/436668584.db2.gz MBSLUIJASHTZJQ-HRBLRVMOSA-N 1 1 347.507 0.990 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000120210823 436681312 /nfs/dbraw/zinc/68/13/12/436681312.db2.gz AMCCPGKUTHTCAZ-UHFFFAOYSA-N 1 1 332.404 0.744 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000272786398 436721836 /nfs/dbraw/zinc/72/18/36/436721836.db2.gz BHGBKENKZYIPLP-UHFFFAOYSA-N 1 1 330.362 0.999 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000152482266 436731587 /nfs/dbraw/zinc/73/15/87/436731587.db2.gz RFFWDYOFDKSFNZ-UHFFFAOYSA-N 1 1 348.447 0.881 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1CC[N@@H+]1CCOC[C@H]1C ZINC000249433567 436820315 /nfs/dbraw/zinc/82/03/15/436820315.db2.gz FAGVINDCTPFISA-HUUCEWRRSA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1CC[N@H+]1CCOC[C@H]1C ZINC000249433567 436820317 /nfs/dbraw/zinc/82/03/17/436820317.db2.gz FAGVINDCTPFISA-HUUCEWRRSA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@@H]1COCCN1CC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000249433567 436820320 /nfs/dbraw/zinc/82/03/20/436820320.db2.gz FAGVINDCTPFISA-HUUCEWRRSA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@@H]1COCCN1CC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000249433567 436820322 /nfs/dbraw/zinc/82/03/22/436820322.db2.gz FAGVINDCTPFISA-HUUCEWRRSA-N 1 1 330.436 0.579 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000252802108 436840582 /nfs/dbraw/zinc/84/05/82/436840582.db2.gz RGQSUSGXMVPAJP-GUTXKFCHSA-N 1 1 348.447 0.862 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000293400587 436873284 /nfs/dbraw/zinc/87/32/84/436873284.db2.gz OJOWIVHYGVHVPP-QHCPKHFHSA-N 1 1 335.429 0.434 20 30 ECEDMO C=CCOc1cccc(NC(=O)C(=O)NCC[N@@H+](CC)CCO)c1 ZINC000274440574 436826007 /nfs/dbraw/zinc/82/60/07/436826007.db2.gz LJQISJSLAXHWRF-UHFFFAOYSA-N 1 1 335.404 0.620 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000293412633 436875189 /nfs/dbraw/zinc/87/51/89/436875189.db2.gz PHLXOVROLUAOSL-UHFFFAOYSA-N 1 1 332.360 0.913 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280317168 436881755 /nfs/dbraw/zinc/88/17/55/436881755.db2.gz OEDDAOFZTBQTNA-YOEHRIQHSA-N 1 1 326.400 0.766 20 30 ECEDMO CN1CCN(c2ccc(CNC(=[NH2+])NC[C@H]3CCCO3)cn2)CC1 ZINC000161487511 436891076 /nfs/dbraw/zinc/89/10/76/436891076.db2.gz NEOWUPPAISWYQJ-OAHLLOKOSA-N 1 1 332.452 0.417 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000294048841 436930515 /nfs/dbraw/zinc/93/05/15/436930515.db2.gz UBJBYWSDDAYDNI-CQSZACIVSA-N 1 1 341.415 0.396 20 30 ECEDMO C[NH+]=C(NCCc1c[nH]c2ccccc12)NC[C@H]1CN2CCN1CC2 ZINC000262765641 436941430 /nfs/dbraw/zinc/94/14/30/436941430.db2.gz KSHAVDURAMFBFB-INIZCTEOSA-N 1 1 340.475 0.875 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@H]1CCOc2ccccc21 ZINC000262794572 436942052 /nfs/dbraw/zinc/94/20/52/436942052.db2.gz OYGRIKQBBXLQQO-ZBFHGGJFSA-N 1 1 331.464 0.921 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000281698558 436991769 /nfs/dbraw/zinc/99/17/69/436991769.db2.gz BKIQQTGZSNNNFC-ZDUSSCGKSA-N 1 1 341.437 0.696 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000296480950 436993537 /nfs/dbraw/zinc/99/35/37/436993537.db2.gz ADFYFCXODOXSRO-UHFFFAOYSA-N 1 1 329.448 0.864 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CC[C@](COC)(C(=O)OC)C1 ZINC000296907901 436998139 /nfs/dbraw/zinc/99/81/39/436998139.db2.gz NPGWYUMGRKUBEV-INIZCTEOSA-N 1 1 325.409 0.163 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2ccnc(C)n2)CC1 ZINC000297443398 437007726 /nfs/dbraw/zinc/00/77/26/437007726.db2.gz JGRJMFTVWCKNHD-UHFFFAOYSA-N 1 1 330.436 0.572 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000284094701 437038926 /nfs/dbraw/zinc/03/89/26/437038926.db2.gz SWCWOSXDOAXRIM-CJNGLKHVSA-N 1 1 344.415 0.572 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000284094698 437039021 /nfs/dbraw/zinc/03/90/21/437039021.db2.gz SWCWOSXDOAXRIM-BBRMVZONSA-N 1 1 344.415 0.572 20 30 ECEDMO N#CCOc1ccccc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000264504970 437039774 /nfs/dbraw/zinc/03/97/74/437039774.db2.gz KSZSQSPHHITKLM-AWEZNQCLSA-N 1 1 330.388 0.659 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCO[C@@H]1c1cnn(CC)c1 ZINC000298500994 437040898 /nfs/dbraw/zinc/04/08/98/437040898.db2.gz WBRXEOMFFNBARV-JKSUJKDBSA-N 1 1 333.436 0.987 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000298536220 437041464 /nfs/dbraw/zinc/04/14/64/437041464.db2.gz JIDBANUCLUMEQN-QGZVFWFLSA-N 1 1 342.443 0.986 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)n1C ZINC000276011503 437043229 /nfs/dbraw/zinc/04/32/29/437043229.db2.gz XIVCGZMVSDZSIL-UHFFFAOYSA-N 1 1 344.350 0.752 20 30 ECEDMO Cc1nc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)ccc1C#N ZINC000264551215 437045572 /nfs/dbraw/zinc/04/55/72/437045572.db2.gz VLCBXFWJCSEBMU-UHFFFAOYSA-N 1 1 329.404 0.544 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(C[C@@H](O)COc3ccc(C#N)cc3)[C@@H]2C1 ZINC000284752668 437070552 /nfs/dbraw/zinc/07/05/52/437070552.db2.gz FMLRRMFAGGJLNR-NXHRZFHOSA-N 1 1 331.416 0.703 20 30 ECEDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000285241318 437078179 /nfs/dbraw/zinc/07/81/79/437078179.db2.gz BTIBNJGODRLDHH-CVEARBPZSA-N 1 1 337.445 0.947 20 30 ECEDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000285241318 437078181 /nfs/dbraw/zinc/07/81/81/437078181.db2.gz BTIBNJGODRLDHH-CVEARBPZSA-N 1 1 337.445 0.947 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 ZINC000285588380 437079526 /nfs/dbraw/zinc/07/95/26/437079526.db2.gz BTIXDLXUOBVLQM-JKSUJKDBSA-N 1 1 342.399 0.220 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285785496 437082873 /nfs/dbraw/zinc/08/28/73/437082873.db2.gz ZCPSXFBSBHSIIM-GJZGRUSLSA-N 1 1 343.493 0.931 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285785496 437082874 /nfs/dbraw/zinc/08/28/74/437082874.db2.gz ZCPSXFBSBHSIIM-GJZGRUSLSA-N 1 1 343.493 0.931 20 30 ECEDMO C[N@@H+](CCCNC(=O)NCCn1cnc(C#N)n1)Cc1ccccc1 ZINC000286420330 437090020 /nfs/dbraw/zinc/09/00/20/437090020.db2.gz FVUFDFBWGMNBLK-UHFFFAOYSA-N 1 1 341.419 0.971 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000286468238 437091423 /nfs/dbraw/zinc/09/14/23/437091423.db2.gz KLUUNBJXNDEUSB-UONOGXRCSA-N 1 1 325.478 0.965 20 30 ECEDMO N#CCSCC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000299588737 437093672 /nfs/dbraw/zinc/09/36/72/437093672.db2.gz SKSBNZMJMVACIV-UHFFFAOYSA-N 1 1 333.461 0.967 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000286575483 437104115 /nfs/dbraw/zinc/10/41/15/437104115.db2.gz UNCJQLBJLXPWPF-CQSZACIVSA-N 1 1 341.477 0.203 20 30 ECEDMO C[N@H+]1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1ccccc1 ZINC000286615355 437110036 /nfs/dbraw/zinc/11/00/36/437110036.db2.gz GCQAHRFLSLQMRG-GOEBONIOSA-N 1 1 339.403 0.894 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)c1 ZINC000276492022 437115707 /nfs/dbraw/zinc/11/57/07/437115707.db2.gz VRDRJTYKQDFZIO-SFHVURJKSA-N 1 1 344.415 0.472 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)c1 ZINC000276492022 437115710 /nfs/dbraw/zinc/11/57/10/437115710.db2.gz VRDRJTYKQDFZIO-SFHVURJKSA-N 1 1 344.415 0.472 20 30 ECEDMO CC[N@@H+](CCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000305786648 437164784 /nfs/dbraw/zinc/16/47/84/437164784.db2.gz RZBITLSGEITOAP-CQSZACIVSA-N 1 1 336.461 0.771 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](O)C[C@H](C)C3)CC2)o1 ZINC000332271616 437209309 /nfs/dbraw/zinc/20/93/09/437209309.db2.gz FJBVXORXXCAKIE-GXTWGEPZSA-N 1 1 347.419 0.206 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000328806200 437266791 /nfs/dbraw/zinc/26/67/91/437266791.db2.gz LXXFTSAVXNWVLO-OWCLPIDISA-N 1 1 347.463 0.729 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000328806200 437266794 /nfs/dbraw/zinc/26/67/94/437266794.db2.gz LXXFTSAVXNWVLO-OWCLPIDISA-N 1 1 347.463 0.729 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000266683524 437228723 /nfs/dbraw/zinc/22/87/23/437228723.db2.gz JSQSAMQFBBPLHT-GFCCVEGCSA-N 1 1 347.419 0.999 20 30 ECEDMO Cn1cc[nH+]c1N1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000328706397 437254292 /nfs/dbraw/zinc/25/42/92/437254292.db2.gz AIZSHKNJLJRFJA-UHFFFAOYSA-N 1 1 334.424 0.119 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328728764 437258050 /nfs/dbraw/zinc/25/80/50/437258050.db2.gz GZNVFTODWVTOFS-SOUVJXGZSA-N 1 1 326.441 0.026 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000179452353 437264819 /nfs/dbraw/zinc/26/48/19/437264819.db2.gz MSECHDMCILPGLU-UHFFFAOYSA-N 1 1 344.415 0.412 20 30 ECEDMO Cn1ccc(CNC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000329026790 437304591 /nfs/dbraw/zinc/30/45/91/437304591.db2.gz JYUYJDMHIVTYLH-UHFFFAOYSA-N 1 1 331.424 0.776 20 30 ECEDMO Cn1ccc(CNC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC000329026790 437304595 /nfs/dbraw/zinc/30/45/95/437304595.db2.gz JYUYJDMHIVTYLH-UHFFFAOYSA-N 1 1 331.424 0.776 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1C ZINC000329034156 437305774 /nfs/dbraw/zinc/30/57/74/437305774.db2.gz QQRYZRMLCICRGT-MELADBBJSA-N 1 1 346.497 0.739 20 30 ECEDMO C[NH+](C)[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccsc1 ZINC000336923300 437312850 /nfs/dbraw/zinc/31/28/50/437312850.db2.gz SFTZJOFUJMBCOQ-OLZOCXBDSA-N 1 1 344.462 0.410 20 30 ECEDMO Cn1c(=O)c2cc(C(=O)NCC[N@@H+]3CC=CCC3)cnc2n(C)c1=O ZINC000329077863 437313388 /nfs/dbraw/zinc/31/33/88/437313388.db2.gz BGXWQIYCNIIYSI-UHFFFAOYSA-N 1 1 343.387 0.199 20 30 ECEDMO CN1CCN(C(=O)CCNC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000329083173 437314697 /nfs/dbraw/zinc/31/46/97/437314697.db2.gz SLPJEMSCOYQHHV-ZDUSSCGKSA-N 1 1 328.482 0.544 20 30 ECEDMO C=C(C)C[N@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000181281424 437315642 /nfs/dbraw/zinc/31/56/42/437315642.db2.gz RUTGSMJNDVXXNG-UHFFFAOYSA-N 1 1 343.435 0.520 20 30 ECEDMO CN(C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1)c1nccn(C)c1=O ZINC000328855949 437272960 /nfs/dbraw/zinc/27/29/60/437272960.db2.gz UDIGCOQPSXCZCK-RBSFLKMASA-N 1 1 331.420 0.610 20 30 ECEDMO CN(C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1)c1nccn(C)c1=O ZINC000328855949 437272962 /nfs/dbraw/zinc/27/29/62/437272962.db2.gz UDIGCOQPSXCZCK-RBSFLKMASA-N 1 1 331.420 0.610 20 30 ECEDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCOC[C@H]2c2ncnn2C)C1 ZINC000328888376 437279099 /nfs/dbraw/zinc/27/90/99/437279099.db2.gz QBMFUOSAJJHMPX-RDBSUJKOSA-N 1 1 336.440 0.831 20 30 ECEDMO C=CCNC(=O)CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000180402469 437289477 /nfs/dbraw/zinc/28/94/77/437289477.db2.gz AVDXASMVKRXVHS-UHFFFAOYSA-N 1 1 346.431 0.620 20 30 ECEDMO CC(=O)N1CCN(CCNC(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000328951273 437291109 /nfs/dbraw/zinc/29/11/09/437291109.db2.gz XEKOOBFDHBFTHL-CYBMUJFWSA-N 1 1 328.482 0.544 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329245382 437340844 /nfs/dbraw/zinc/34/08/44/437340844.db2.gz VEEKLANVOSFQSA-RBSFLKMASA-N 1 1 326.441 0.026 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)[C@@H]2C1 ZINC000329273169 437344050 /nfs/dbraw/zinc/34/40/50/437344050.db2.gz IVIYPJMWIUUDND-BFHYXJOUSA-N 1 1 344.481 0.208 20 30 ECEDMO CS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329283183 437346331 /nfs/dbraw/zinc/34/63/31/437346331.db2.gz FPLVWQDYTYNKHK-GFCCVEGCSA-N 1 1 330.454 0.151 20 30 ECEDMO CC(C)CC[N@H+](CCC#N)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000182391646 437348786 /nfs/dbraw/zinc/34/87/86/437348786.db2.gz IFMYJIJLZKSPAU-UHFFFAOYSA-N 1 1 346.435 0.695 20 30 ECEDMO CC(C)CC[N@@H+](CCC#N)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000182391646 437348790 /nfs/dbraw/zinc/34/87/90/437348790.db2.gz IFMYJIJLZKSPAU-UHFFFAOYSA-N 1 1 346.435 0.695 20 30 ECEDMO Cc1nc(Cn2nnc(NC(=O)N3CC[N@H+](C)[C@@H](C)[C@H]3C)c2C)no1 ZINC000329141417 437324684 /nfs/dbraw/zinc/32/46/84/437324684.db2.gz UGRIGQTUFYFVFM-VHSXEESVSA-N 1 1 348.411 0.896 20 30 ECEDMO CCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000329171260 437330528 /nfs/dbraw/zinc/33/05/28/437330528.db2.gz KMTSGNZVSUTLDB-TZMCWYRMSA-N 1 1 349.522 0.847 20 30 ECEDMO Cc1noc([C@@H]2CN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CCN2C)n1 ZINC000329187348 437331588 /nfs/dbraw/zinc/33/15/88/437331588.db2.gz PBRYZKZDQPZDTM-STQMWFEESA-N 1 1 345.407 0.792 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)C1 ZINC000329204774 437333361 /nfs/dbraw/zinc/33/33/61/437333361.db2.gz DDUPLJFDQMFMAP-GJZGRUSLSA-N 1 1 338.452 0.565 20 30 ECEDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000337102593 437333617 /nfs/dbraw/zinc/33/36/17/437333617.db2.gz XFLPDFLNPJDBCO-UONOGXRCSA-N 1 1 330.454 0.262 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000329236807 437339200 /nfs/dbraw/zinc/33/92/00/437339200.db2.gz ONMJVJOTAQQXQB-LBPRGKRZSA-N 1 1 345.403 0.304 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000329802810 437414110 /nfs/dbraw/zinc/41/41/10/437414110.db2.gz KRBSMGBBBFLPQC-ZIAGYGMSSA-N 1 1 339.440 0.171 20 30 ECEDMO CC(C)c1nnc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)s1 ZINC000329845187 437420527 /nfs/dbraw/zinc/42/05/27/437420527.db2.gz QELSQCHASWMWGY-LLVKDONJSA-N 1 1 326.470 0.911 20 30 ECEDMO O=S1(=O)CCC[C@H]([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329910314 437428946 /nfs/dbraw/zinc/42/89/46/437428946.db2.gz VSGMPURDPOFSIA-RYUDHWBXSA-N 1 1 326.422 0.526 20 30 ECEDMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000329658872 437398497 /nfs/dbraw/zinc/39/84/97/437398497.db2.gz HKOBCAWUZVSYCM-CHWSQXEVSA-N 1 1 333.454 0.130 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000329658872 437398502 /nfs/dbraw/zinc/39/85/02/437398502.db2.gz HKOBCAWUZVSYCM-CHWSQXEVSA-N 1 1 333.454 0.130 20 30 ECEDMO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000338295983 437402146 /nfs/dbraw/zinc/40/21/46/437402146.db2.gz KTZXEXBGUTXWQQ-AWEZNQCLSA-N 1 1 349.460 0.357 20 30 ECEDMO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC(Nc2cccnn2)CC1 ZINC000330278263 437477315 /nfs/dbraw/zinc/47/73/15/437477315.db2.gz PKBGSNRIWCHCFK-CQSZACIVSA-N 1 1 341.419 1.478 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000330266721 437478397 /nfs/dbraw/zinc/47/83/97/437478397.db2.gz QBENQSZJFWJIAN-HOCLYGCPSA-N 1 1 340.468 0.416 20 30 ECEDMO C[C@@H]1c2nncn2CCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000330049229 437448815 /nfs/dbraw/zinc/44/88/15/437448815.db2.gz JFNXQJIBAFDXHO-CYBMUJFWSA-N 1 1 335.456 0.595 20 30 ECEDMO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCN(c2cccnn2)CC1 ZINC000330190479 437466252 /nfs/dbraw/zinc/46/62/52/437466252.db2.gz MNCXNKCJYSXWNI-ZDUSSCGKSA-N 1 1 327.392 0.724 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000330398875 437499784 /nfs/dbraw/zinc/49/97/84/437499784.db2.gz QRMFODTXQSKKBZ-STQMWFEESA-N 1 1 337.424 0.665 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000330398875 437499790 /nfs/dbraw/zinc/49/97/90/437499790.db2.gz QRMFODTXQSKKBZ-STQMWFEESA-N 1 1 337.424 0.665 20 30 ECEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCCC#N)C[C@H](C)O1 ZINC000339841109 437505500 /nfs/dbraw/zinc/50/55/00/437505500.db2.gz CASQPDQLCMWTCH-KBPBESRZSA-N 1 1 338.452 0.800 20 30 ECEDMO CC(C)[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)N1CCN(C)CC1 ZINC000354116366 437535650 /nfs/dbraw/zinc/53/56/50/437535650.db2.gz XTOCIVXMMBVBAX-OAHLLOKOSA-N 1 1 342.509 0.872 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000339979109 437537599 /nfs/dbraw/zinc/53/75/99/437537599.db2.gz WNRBBHJOVMMQFV-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1C#N ZINC000291194975 437568965 /nfs/dbraw/zinc/56/89/65/437568965.db2.gz UHHGTFLLLMGOIH-ZDUSSCGKSA-N 1 1 335.433 0.302 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1C#N ZINC000291194975 437568972 /nfs/dbraw/zinc/56/89/72/437568972.db2.gz UHHGTFLLLMGOIH-ZDUSSCGKSA-N 1 1 335.433 0.302 20 30 ECEDMO Cc1cc(CN(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)no1 ZINC000330673757 437585651 /nfs/dbraw/zinc/58/56/51/437585651.db2.gz HLHZAIBYUQYTGQ-UHFFFAOYSA-N 1 1 337.424 0.881 20 30 ECEDMO O=C(C[N@H+]1CCC[C@H](OCCO)C1)NC(=O)NC1CCCCC1 ZINC000330825703 437626112 /nfs/dbraw/zinc/62/61/12/437626112.db2.gz WAWGQHPCDOYXRA-AWEZNQCLSA-N 1 1 327.425 0.823 20 30 ECEDMO O=C(C[N@@H+]1CCC[C@H](OCCO)C1)NC(=O)NC1CCCCC1 ZINC000330825703 437626118 /nfs/dbraw/zinc/62/61/18/437626118.db2.gz WAWGQHPCDOYXRA-AWEZNQCLSA-N 1 1 327.425 0.823 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1ccc(C#N)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000343728542 437638158 /nfs/dbraw/zinc/63/81/58/437638158.db2.gz NIGNVKJNOIHDOU-LLVKDONJSA-N 1 1 341.458 0.811 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000331021936 437671396 /nfs/dbraw/zinc/67/13/96/437671396.db2.gz KWVXFWDJMQJNDM-MAUKXSAKSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000192493708 437677513 /nfs/dbraw/zinc/67/75/13/437677513.db2.gz OHALKKVIUXUMQZ-GASCZTMLSA-N 1 1 349.456 0.785 20 30 ECEDMO CCOC[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000331062819 437680414 /nfs/dbraw/zinc/68/04/14/437680414.db2.gz VLBWPASNWMKTPN-CYBMUJFWSA-N 1 1 326.441 0.469 20 30 ECEDMO C=C[C@H](CO)NC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000292653105 437708881 /nfs/dbraw/zinc/70/88/81/437708881.db2.gz YQCNNNUYQLHBSU-OAHLLOKOSA-N 1 1 336.411 0.794 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000292693462 437712692 /nfs/dbraw/zinc/71/26/92/437712692.db2.gz CRVBDHAGYTXHMO-UHFFFAOYSA-N 1 1 331.420 0.527 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000362933459 437762394 /nfs/dbraw/zinc/76/23/94/437762394.db2.gz TUTQWLAFNBMIRW-HOTGVXAUSA-N 1 1 327.384 0.586 20 30 ECEDMO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)O1 ZINC000340961265 437764519 /nfs/dbraw/zinc/76/45/19/437764519.db2.gz YZEUGLBKKFQRRI-SOUVJXGZSA-N 1 1 330.388 0.310 20 30 ECEDMO COC[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000331257361 437726949 /nfs/dbraw/zinc/72/69/49/437726949.db2.gz CSIJQHRLJWZWNF-OWCLPIDISA-N 1 1 343.468 0.993 20 30 ECEDMO CC[C@]1(CO)CCCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000331257585 437727557 /nfs/dbraw/zinc/72/75/57/437727557.db2.gz DDSKQBDBWHYZSS-QGZVFWFLSA-N 1 1 340.468 0.690 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H](CO)C2)CC1 ZINC000362303971 437730196 /nfs/dbraw/zinc/73/01/96/437730196.db2.gz DCZXLDIQKBCCJH-IAGOWNOFSA-N 1 1 336.480 0.773 20 30 ECEDMO COC(=O)C(C)(C)CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000331271842 437730312 /nfs/dbraw/zinc/73/03/12/437730312.db2.gz GRCNFWQOQNGOMU-LBPRGKRZSA-N 1 1 329.441 0.877 20 30 ECEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000331276534 437732593 /nfs/dbraw/zinc/73/25/93/437732593.db2.gz FNTRJPATPWFXFZ-KGLIPLIRSA-N 1 1 346.497 0.918 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000341210295 437817710 /nfs/dbraw/zinc/81/77/10/437817710.db2.gz VWIYKZOWGMHNHR-GJZGRUSLSA-N 1 1 337.468 0.099 20 30 ECEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)NCC(=O)NCC#N)[C@@H](C)C1 ZINC000345020793 437777061 /nfs/dbraw/zinc/77/70/61/437777061.db2.gz ZTICGTRHFAAENA-KBPBESRZSA-N 1 1 339.440 0.062 20 30 ECEDMO C[NH+](C)[C@@]1(C(=O)N2CCN(CC#N)CC2)CCOc2ccccc21 ZINC000363287467 437778062 /nfs/dbraw/zinc/77/80/62/437778062.db2.gz AUUJGXRYCFIZCM-SFHVURJKSA-N 1 1 328.416 0.894 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000356556819 437785727 /nfs/dbraw/zinc/78/57/27/437785727.db2.gz ZKDXYLQKZOVRPY-SUMWQHHRSA-N 1 1 338.452 0.610 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000345697235 437797586 /nfs/dbraw/zinc/79/75/86/437797586.db2.gz QZDAZXOIHWITEB-INIZCTEOSA-N 1 1 345.447 0.977 20 30 ECEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC(=O)NCC#N)C1CC1 ZINC000345821328 437800582 /nfs/dbraw/zinc/80/05/82/437800582.db2.gz JTHDWQQZJHEFOX-INIZCTEOSA-N 1 1 343.431 0.836 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000363664746 437803083 /nfs/dbraw/zinc/80/30/83/437803083.db2.gz DENTVGLOEUYCLG-ZDUSSCGKSA-N 1 1 332.408 0.389 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2ncccn2)CC1 ZINC000363664746 437803086 /nfs/dbraw/zinc/80/30/86/437803086.db2.gz DENTVGLOEUYCLG-ZDUSSCGKSA-N 1 1 332.408 0.389 20 30 ECEDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000423698039 437806516 /nfs/dbraw/zinc/80/65/16/437806516.db2.gz MDCMIENZQLGFML-DZGCQCFKSA-N 1 1 344.415 0.786 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000346445536 437810347 /nfs/dbraw/zinc/81/03/47/437810347.db2.gz NCNZJYQASBNQPH-STQMWFEESA-N 1 1 342.465 0.199 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000346445536 437810356 /nfs/dbraw/zinc/81/03/56/437810356.db2.gz NCNZJYQASBNQPH-STQMWFEESA-N 1 1 342.465 0.199 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000346528818 437813065 /nfs/dbraw/zinc/81/30/65/437813065.db2.gz AELNTWCQXRXIQB-VDERGJSUSA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000371386393 437927687 /nfs/dbraw/zinc/92/76/87/437927687.db2.gz ALLBAGNEYQMPEU-AWEZNQCLSA-N 1 1 348.447 0.723 20 30 ECEDMO C[C@@H](C#N)S(=O)(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000416468541 437939125 /nfs/dbraw/zinc/93/91/25/437939125.db2.gz GLNWJPVAKPRTEK-LBPRGKRZSA-N 1 1 345.465 0.966 20 30 ECEDMO C[C@@H](C#N)S(=O)(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000416468541 437939130 /nfs/dbraw/zinc/93/91/30/437939130.db2.gz GLNWJPVAKPRTEK-LBPRGKRZSA-N 1 1 345.465 0.966 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000342012532 437941635 /nfs/dbraw/zinc/94/16/35/437941635.db2.gz XHQKOOZYOBAWEU-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N(C)C2CC2)CC1 ZINC000371548317 437951487 /nfs/dbraw/zinc/95/14/87/437951487.db2.gz ZJTVJZKBGMLKKK-CQSZACIVSA-N 1 1 348.447 0.721 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[C@H]2N2CCOCC2)CC1 ZINC000371566447 437957475 /nfs/dbraw/zinc/95/74/75/437957475.db2.gz WUNMOCNLIKUGQO-ZWKOTPCHSA-N 1 1 333.476 0.949 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000371788192 437992062 /nfs/dbraw/zinc/99/20/62/437992062.db2.gz JKLXVILBKMZQJJ-NSHDSACASA-N 1 1 340.449 0.384 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425318816 438021171 /nfs/dbraw/zinc/02/11/71/438021171.db2.gz PMHLLFXHZVXWAC-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCn1cc(CNC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)nn1 ZINC000425497601 438028446 /nfs/dbraw/zinc/02/84/46/438028446.db2.gz DFLCAUYORGGEQQ-AWEZNQCLSA-N 1 1 335.456 0.289 20 30 ECEDMO C=CCNC(=O)NC(=O)CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000372331081 438069649 /nfs/dbraw/zinc/06/96/49/438069649.db2.gz NGUKCXFVUUPINH-SOUVJXGZSA-N 1 1 338.452 0.477 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000372331081 438069655 /nfs/dbraw/zinc/06/96/55/438069655.db2.gz NGUKCXFVUUPINH-SOUVJXGZSA-N 1 1 338.452 0.477 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000358083023 438147273 /nfs/dbraw/zinc/14/72/73/438147273.db2.gz KBOMBBQPIKHEOY-CQSZACIVSA-N 1 1 338.452 0.115 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000358204167 438180045 /nfs/dbraw/zinc/18/00/45/438180045.db2.gz UGTPOEKDGXLXPT-CYBMUJFWSA-N 1 1 329.809 0.557 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000374459435 438211797 /nfs/dbraw/zinc/21/17/97/438211797.db2.gz QMHPJHGRZUVNBG-CYBMUJFWSA-N 1 1 341.437 0.203 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374560924 438216437 /nfs/dbraw/zinc/21/64/37/438216437.db2.gz ZQZYJLTVGVBHSG-ZDUSSCGKSA-N 1 1 348.403 0.733 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374560924 438216441 /nfs/dbraw/zinc/21/64/41/438216441.db2.gz ZQZYJLTVGVBHSG-ZDUSSCGKSA-N 1 1 348.403 0.733 20 30 ECEDMO CN1CCN(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)C(=O)C1 ZINC000374730819 438227079 /nfs/dbraw/zinc/22/70/79/438227079.db2.gz JAOODSFECZVNRA-SFHVURJKSA-N 1 1 347.463 0.033 20 30 ECEDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000375742686 438261976 /nfs/dbraw/zinc/26/19/76/438261976.db2.gz MFMPYSYJDZQFTL-CVEARBPZSA-N 1 1 333.436 0.437 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000376349332 438279342 /nfs/dbraw/zinc/27/93/42/438279342.db2.gz INAYZIBZIZAXIE-CYBMUJFWSA-N 1 1 349.460 0.899 20 30 ECEDMO C=CCN(CCOC)C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000358554954 438253742 /nfs/dbraw/zinc/25/37/42/438253742.db2.gz CNXINEXPXAZNJK-UHFFFAOYSA-N 1 1 340.468 0.821 20 30 ECEDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)NCC(=O)NCC#N)CC2)C1CC1 ZINC000377022217 438299397 /nfs/dbraw/zinc/29/93/97/438299397.db2.gz ZYHAMUSNZGYQJW-ZDUSSCGKSA-N 1 1 333.436 0.532 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC(=O)NCC#N ZINC000377076984 438301861 /nfs/dbraw/zinc/30/18/61/438301861.db2.gz GTMLPYVAOAPRCY-HNNXBMFYSA-N 1 1 343.431 0.932 20 30 ECEDMO C=C[C@H](CO)NC(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000358792040 438301880 /nfs/dbraw/zinc/30/18/80/438301880.db2.gz QCOXQALSCJGORB-OAHLLOKOSA-N 1 1 349.431 0.908 20 30 ECEDMO C=C[C@H](CO)NC(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000358792040 438301883 /nfs/dbraw/zinc/30/18/83/438301883.db2.gz QCOXQALSCJGORB-OAHLLOKOSA-N 1 1 349.431 0.908 20 30 ECEDMO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000359232745 438385360 /nfs/dbraw/zinc/38/53/60/438385360.db2.gz UABSEYQJMXZSJR-GFCCVEGCSA-N 1 1 344.419 0.801 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420370843 438402368 /nfs/dbraw/zinc/40/23/68/438402368.db2.gz CXMLCLUIMAEPOC-QEJZJMRPSA-N 1 1 338.452 0.605 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352256931 438404183 /nfs/dbraw/zinc/40/41/83/438404183.db2.gz NBJQMOKIXKAWQZ-UHFFFAOYSA-N 1 1 330.454 0.010 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000378624757 438408856 /nfs/dbraw/zinc/40/88/56/438408856.db2.gz QFJREHXGIQEPDC-CYBMUJFWSA-N 1 1 338.477 0.992 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000359347676 438416759 /nfs/dbraw/zinc/41/67/59/438416759.db2.gz STSZALLIFOOGSH-HZPDHXFCSA-N 1 1 349.479 0.243 20 30 ECEDMO CCOC(=O)CCCNC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369390283 438465790 /nfs/dbraw/zinc/46/57/90/438465790.db2.gz YRFBIDDEJUYPQD-UHFFFAOYSA-N 1 1 348.407 0.246 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3nnc(N)cc3C2)cc1 ZINC000369279245 438448907 /nfs/dbraw/zinc/44/89/07/438448907.db2.gz LHBOEISSDTXVLX-CQSZACIVSA-N 1 1 325.372 0.728 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3nnc(N)cc3C2)cc1 ZINC000369279245 438448911 /nfs/dbraw/zinc/44/89/11/438448911.db2.gz LHBOEISSDTXVLX-CQSZACIVSA-N 1 1 325.372 0.728 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1C#N ZINC000369802584 438516970 /nfs/dbraw/zinc/51/69/70/438516970.db2.gz DMAWSCLGTPWDJU-UONOGXRCSA-N 1 1 342.399 0.785 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000369879097 438524465 /nfs/dbraw/zinc/52/44/65/438524465.db2.gz XBJCSRUJDXHQDQ-IXDOHACOSA-N 1 1 334.464 0.932 20 30 ECEDMO N#CC1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000440995225 438574719 /nfs/dbraw/zinc/57/47/19/438574719.db2.gz YZWJLQTYCDHPTI-NRXISQOPSA-N 1 1 335.452 0.955 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)CC[N@@H+]1CC(C)(C)O ZINC000422480996 438577350 /nfs/dbraw/zinc/57/73/50/438577350.db2.gz OHVNWANVDMSWTG-CYBMUJFWSA-N 1 1 338.452 0.346 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)CC[N@H+]1CC(C)(C)O ZINC000422480996 438577353 /nfs/dbraw/zinc/57/73/53/438577353.db2.gz OHVNWANVDMSWTG-CYBMUJFWSA-N 1 1 338.452 0.346 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000410510944 438595447 /nfs/dbraw/zinc/59/54/47/438595447.db2.gz FVXMTZSHFKZDTF-MRXNPFEDSA-N 1 1 336.480 0.649 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000452023867 438627592 /nfs/dbraw/zinc/62/75/92/438627592.db2.gz VPNNTDDGIXGMKC-UHFFFAOYSA-N 1 1 345.396 0.086 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000452023867 438627594 /nfs/dbraw/zinc/62/75/94/438627594.db2.gz VPNNTDDGIXGMKC-UHFFFAOYSA-N 1 1 345.396 0.086 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410688171 438628384 /nfs/dbraw/zinc/62/83/84/438628384.db2.gz MHSCREVJSFNGTR-AWEZNQCLSA-N 1 1 325.453 0.715 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410688171 438628387 /nfs/dbraw/zinc/62/83/87/438628387.db2.gz MHSCREVJSFNGTR-AWEZNQCLSA-N 1 1 325.453 0.715 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000452101420 438640454 /nfs/dbraw/zinc/64/04/54/438640454.db2.gz GNMZUQJDCJVLBC-CQSZACIVSA-N 1 1 332.470 0.508 20 30 ECEDMO C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC(C)(C)CN1CCOCC1 ZINC000443640929 438655249 /nfs/dbraw/zinc/65/52/49/438655249.db2.gz KOSMGOVYANDVEC-UHFFFAOYSA-N 1 1 349.479 0.933 20 30 ECEDMO CN(CC(=O)N(CCC#N)CCC#N)CC(C)(C)C[NH+]1CCOCC1 ZINC000443640929 438655250 /nfs/dbraw/zinc/65/52/50/438655250.db2.gz KOSMGOVYANDVEC-UHFFFAOYSA-N 1 1 349.479 0.933 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452393701 438660818 /nfs/dbraw/zinc/66/08/18/438660818.db2.gz SWZRFSHKPCJXKQ-OAHLLOKOSA-N 1 1 347.415 0.909 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000410939598 438667888 /nfs/dbraw/zinc/66/78/88/438667888.db2.gz VKMSEEPZNXNFEI-CQSZACIVSA-N 1 1 325.453 0.715 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000410939598 438667891 /nfs/dbraw/zinc/66/78/91/438667891.db2.gz VKMSEEPZNXNFEI-CQSZACIVSA-N 1 1 325.453 0.715 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000447392864 438676618 /nfs/dbraw/zinc/67/66/18/438676618.db2.gz ILOZKJRAXYRFCF-SOUVJXGZSA-N 1 1 339.436 0.283 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000447392864 438676621 /nfs/dbraw/zinc/67/66/21/438676621.db2.gz ILOZKJRAXYRFCF-SOUVJXGZSA-N 1 1 339.436 0.283 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)ccc1C#N ZINC000453645619 438686535 /nfs/dbraw/zinc/68/65/35/438686535.db2.gz GIQCDLKGIXEIPY-CQSZACIVSA-N 1 1 329.404 0.999 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)ccc1C#N ZINC000453645619 438686539 /nfs/dbraw/zinc/68/65/39/438686539.db2.gz GIQCDLKGIXEIPY-CQSZACIVSA-N 1 1 329.404 0.999 20 30 ECEDMO N#CCc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000453819143 438695764 /nfs/dbraw/zinc/69/57/64/438695764.db2.gz MLEADJMRQNGZQB-MRXNPFEDSA-N 1 1 344.415 0.654 20 30 ECEDMO CCOC(=O)[C@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC12COC2 ZINC000451124771 438696319 /nfs/dbraw/zinc/69/63/19/438696319.db2.gz JJTDHDOQZLURQB-CZUORRHYSA-N 1 1 335.404 0.306 20 30 ECEDMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC12COC2 ZINC000451124771 438696322 /nfs/dbraw/zinc/69/63/22/438696322.db2.gz JJTDHDOQZLURQB-CZUORRHYSA-N 1 1 335.404 0.306 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)ccc1F ZINC000453828503 438697482 /nfs/dbraw/zinc/69/74/82/438697482.db2.gz YJZYNHKYGYPCFJ-CQSZACIVSA-N 1 1 348.378 0.599 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000451328593 438697683 /nfs/dbraw/zinc/69/76/83/438697683.db2.gz KYLXULLMQUDBOE-CVEARBPZSA-N 1 1 325.409 0.552 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000451328593 438697686 /nfs/dbraw/zinc/69/76/86/438697686.db2.gz KYLXULLMQUDBOE-CVEARBPZSA-N 1 1 325.409 0.552 20 30 ECEDMO C=CCNC(=O)CN1CC2(CCCC2)[N@@H+](CC(=O)NCC=C)C[C@H]1C ZINC000451345834 438699097 /nfs/dbraw/zinc/69/90/97/438699097.db2.gz SNJQMSBOZOTBSV-MRXNPFEDSA-N 1 1 348.491 0.910 20 30 ECEDMO C=CCNC(=O)CN1CC2(CCCC2)[N@H+](CC(=O)NCC=C)C[C@H]1C ZINC000451345834 438699102 /nfs/dbraw/zinc/69/91/02/438699102.db2.gz SNJQMSBOZOTBSV-MRXNPFEDSA-N 1 1 348.491 0.910 20 30 ECEDMO C=CCNC(=O)CN1C[C@@H](C)[N@@H+](CC(=O)NCC=C)CC12CCCC2 ZINC000451345834 438699104 /nfs/dbraw/zinc/69/91/04/438699104.db2.gz SNJQMSBOZOTBSV-MRXNPFEDSA-N 1 1 348.491 0.910 20 30 ECEDMO C=CCNC(=O)CN1C[C@@H](C)[N@H+](CC(=O)NCC=C)CC12CCCC2 ZINC000451345834 438699108 /nfs/dbraw/zinc/69/91/08/438699108.db2.gz SNJQMSBOZOTBSV-MRXNPFEDSA-N 1 1 348.491 0.910 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@H](C)[N@H+]1CCO ZINC000453924371 438701734 /nfs/dbraw/zinc/70/17/34/438701734.db2.gz BOCFYHORBHWECB-TXEJJXNPSA-N 1 1 348.378 0.549 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C[C@H](C)[N@@H+]1CCO ZINC000453924371 438701735 /nfs/dbraw/zinc/70/17/35/438701735.db2.gz BOCFYHORBHWECB-TXEJJXNPSA-N 1 1 348.378 0.549 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000493907778 438658303 /nfs/dbraw/zinc/65/83/03/438658303.db2.gz KFNBOJUCAQLYBG-NSHDSACASA-N 1 1 328.413 0.843 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000493907778 438658305 /nfs/dbraw/zinc/65/83/05/438658305.db2.gz KFNBOJUCAQLYBG-NSHDSACASA-N 1 1 328.413 0.843 20 30 ECEDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000551907347 438738735 /nfs/dbraw/zinc/73/87/35/438738735.db2.gz BOYBHGXCZMNWCM-CYBMUJFWSA-N 1 1 332.408 0.827 20 30 ECEDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000551907347 438738738 /nfs/dbraw/zinc/73/87/38/438738738.db2.gz BOYBHGXCZMNWCM-CYBMUJFWSA-N 1 1 332.408 0.827 20 30 ECEDMO C=CC[N@H+](C)CCN(CC)CC(=O)N1CCN(C(=O)OCC)CC1 ZINC000497269991 438786696 /nfs/dbraw/zinc/78/66/96/438786696.db2.gz SKALAKGYIMEQHY-UHFFFAOYSA-N 1 1 340.468 0.727 20 30 ECEDMO COC(=O)[C@@H]([N@H+](C)CCCc1[nH]nc(N)c1C#N)C1(OC)CCC1 ZINC000556776915 438788255 /nfs/dbraw/zinc/78/82/55/438788255.db2.gz AVHLQQYNYIVFCB-CYBMUJFWSA-N 1 1 335.408 0.839 20 30 ECEDMO COC(=O)[C@@H]([N@@H+](C)CCCc1[nH]nc(N)c1C#N)C1(OC)CCC1 ZINC000556776915 438788258 /nfs/dbraw/zinc/78/82/58/438788258.db2.gz AVHLQQYNYIVFCB-CYBMUJFWSA-N 1 1 335.408 0.839 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000588127452 438820801 /nfs/dbraw/zinc/82/08/01/438820801.db2.gz HXZLSKPLURZILW-GJZGRUSLSA-N 1 1 349.479 0.327 20 30 ECEDMO C=CCn1c(COC)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000589247865 438864686 /nfs/dbraw/zinc/86/46/86/438864686.db2.gz FRDNQGHGHSIKNY-OAHLLOKOSA-N 1 1 334.468 0.827 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590281123 438907755 /nfs/dbraw/zinc/90/77/55/438907755.db2.gz MCBYECMIQVJAAP-OCCSQVGLSA-N 1 1 328.372 0.668 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCC2(C#N)CCCCC2)CC1 ZINC000596132730 438931120 /nfs/dbraw/zinc/93/11/20/438931120.db2.gz OSMONMHCQIZQDK-UHFFFAOYSA-N 1 1 335.452 0.924 20 30 ECEDMO C[C@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)N1CC[NH+](C)CC1 ZINC000601676989 438954103 /nfs/dbraw/zinc/95/41/03/438954103.db2.gz HBDNZPBIQSTLTK-CQSZACIVSA-N 1 1 327.432 0.817 20 30 ECEDMO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000459462802 438967133 /nfs/dbraw/zinc/96/71/33/438967133.db2.gz LRIULMFOVKXSNW-HUUCEWRRSA-N 1 1 349.479 0.327 20 30 ECEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](CO)[C@H](O)C2)c1C ZINC000459702510 438990769 /nfs/dbraw/zinc/99/07/69/438990769.db2.gz OXUYXEYLPIPGJG-NVXWUHKLSA-N 1 1 331.416 0.835 20 30 ECEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1C ZINC000459702510 438990773 /nfs/dbraw/zinc/99/07/73/438990773.db2.gz OXUYXEYLPIPGJG-NVXWUHKLSA-N 1 1 331.416 0.835 20 30 ECEDMO N#CCCn1ccc(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000596749014 438994775 /nfs/dbraw/zinc/99/47/75/438994775.db2.gz DQOVQBJCYSTTGQ-CQSZACIVSA-N 1 1 332.408 0.860 20 30 ECEDMO N#C[C@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000596881621 439011498 /nfs/dbraw/zinc/01/14/98/439011498.db2.gz YQATYGIEZFWDMW-RRFJBIMHSA-N 1 1 334.420 0.564 20 30 ECEDMO N#CCCN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000602207725 439039358 /nfs/dbraw/zinc/03/93/58/439039358.db2.gz LCUVOLYHPZXVLI-SFHVURJKSA-N 1 1 342.443 0.945 20 30 ECEDMO N#CCCN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000602207725 439039361 /nfs/dbraw/zinc/03/93/61/439039361.db2.gz LCUVOLYHPZXVLI-SFHVURJKSA-N 1 1 342.443 0.945 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597400309 439091950 /nfs/dbraw/zinc/09/19/50/439091950.db2.gz XLFXCBLYHGRFFM-HNNXBMFYSA-N 1 1 348.447 0.462 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000597471678 439105322 /nfs/dbraw/zinc/10/53/22/439105322.db2.gz YXXNNYIWUQDOSI-DZGCQCFKSA-N 1 1 339.436 0.553 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000597471678 439105327 /nfs/dbraw/zinc/10/53/27/439105327.db2.gz YXXNNYIWUQDOSI-DZGCQCFKSA-N 1 1 339.436 0.553 20 30 ECEDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCC(=O)NCC#N)C2)cc1 ZINC000602315668 439064449 /nfs/dbraw/zinc/06/44/49/439064449.db2.gz NTMYDYSDWQRXMT-HNNXBMFYSA-N 1 1 329.404 0.508 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)C1 ZINC000597263399 439065284 /nfs/dbraw/zinc/06/52/84/439065284.db2.gz YQSDWIHFKJJQOK-AWEZNQCLSA-N 1 1 335.452 0.080 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000591726547 439078911 /nfs/dbraw/zinc/07/89/11/439078911.db2.gz KYOJRHLDNDDJEQ-HUUCEWRRSA-N 1 1 334.445 0.943 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000602944615 439167479 /nfs/dbraw/zinc/16/74/79/439167479.db2.gz VHNLQJRCPQRGOE-OAHLLOKOSA-N 1 1 346.435 0.376 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c1C#N ZINC000487448321 439150011 /nfs/dbraw/zinc/15/00/11/439150011.db2.gz ZXFULLVBLINAOY-IUODEOHRSA-N 1 1 330.436 0.447 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](Cn3ccnn3)C2)c1 ZINC000602910345 439158131 /nfs/dbraw/zinc/15/81/31/439158131.db2.gz XEOWGEWNMWPOLE-INIZCTEOSA-N 1 1 340.387 0.879 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@H](Cn3ccnn3)C2)c1 ZINC000602910345 439158137 /nfs/dbraw/zinc/15/81/37/439158137.db2.gz XEOWGEWNMWPOLE-INIZCTEOSA-N 1 1 340.387 0.879 20 30 ECEDMO C[NH+]1CCN(CC2CN(C(=O)Cc3c(F)cccc3C#N)C2)CC1 ZINC000597694016 439162867 /nfs/dbraw/zinc/16/28/67/439162867.db2.gz IELBLZQEAPDHEQ-UHFFFAOYSA-N 1 1 330.407 0.946 20 30 ECEDMO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000602933405 439164525 /nfs/dbraw/zinc/16/45/25/439164525.db2.gz CIHDBRPHZYJVTN-FMKPAKJESA-N 1 1 340.420 0.710 20 30 ECEDMO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000602933405 439164530 /nfs/dbraw/zinc/16/45/30/439164530.db2.gz CIHDBRPHZYJVTN-FMKPAKJESA-N 1 1 340.420 0.710 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3ccc(CC#N)cc3)[C@H]2C1 ZINC000581130149 439174635 /nfs/dbraw/zinc/17/46/35/439174635.db2.gz IGPXRDADAXUZAH-SJORKVTESA-N 1 1 340.427 0.921 20 30 ECEDMO C[C@@H](C#N)N(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000598129023 439229063 /nfs/dbraw/zinc/22/90/63/439229063.db2.gz RMBOLOTWWLTTBQ-HOCLYGCPSA-N 1 1 348.447 0.603 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000581714619 439245545 /nfs/dbraw/zinc/24/55/45/439245545.db2.gz VITGARKNURRBFV-TZMCWYRMSA-N 1 1 332.408 0.358 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000581714619 439245548 /nfs/dbraw/zinc/24/55/48/439245548.db2.gz VITGARKNURRBFV-TZMCWYRMSA-N 1 1 332.408 0.358 20 30 ECEDMO CC1CC(C#N)(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000603408087 439255920 /nfs/dbraw/zinc/25/59/20/439255920.db2.gz BBBQHYPQBDTIJL-UPTPFMHGSA-N 1 1 334.464 0.839 20 30 ECEDMO N#CCCCS(=O)(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603417929 439258211 /nfs/dbraw/zinc/25/82/11/439258211.db2.gz QDVLXSMHMGFMAX-HNNXBMFYSA-N 1 1 344.481 0.006 20 30 ECEDMO N#CCCCS(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603417929 439258218 /nfs/dbraw/zinc/25/82/18/439258218.db2.gz QDVLXSMHMGFMAX-HNNXBMFYSA-N 1 1 344.481 0.006 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000527297500 439262749 /nfs/dbraw/zinc/26/27/49/439262749.db2.gz MJNAOOJDUJUYMU-LLVKDONJSA-N 1 1 329.408 0.679 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000527377579 439269481 /nfs/dbraw/zinc/26/94/81/439269481.db2.gz XAKGTYHIIVVCER-MRXNPFEDSA-N 1 1 333.480 0.651 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000490948783 439316343 /nfs/dbraw/zinc/31/63/43/439316343.db2.gz HBSMCVNLKAGRAQ-CQSZACIVSA-N 1 1 344.367 0.786 20 30 ECEDMO C#C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C ZINC000490987028 439319563 /nfs/dbraw/zinc/31/95/63/439319563.db2.gz WQMLZWFVMXUCPD-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3cnc(N)nc3C2)cc1 ZINC000598950036 439332054 /nfs/dbraw/zinc/33/20/54/439332054.db2.gz NWTSGFVKINLLQY-AWEZNQCLSA-N 1 1 325.372 0.728 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cnc(N)nc3C2)cc1 ZINC000598950036 439332057 /nfs/dbraw/zinc/33/20/57/439332057.db2.gz NWTSGFVKINLLQY-AWEZNQCLSA-N 1 1 325.372 0.728 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3cnc(N)nc3C2)cc1 ZINC000598950436 439333597 /nfs/dbraw/zinc/33/35/97/439333597.db2.gz QCNZVNUZNUAQII-HNNXBMFYSA-N 1 1 339.399 0.923 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cnc(N)nc3C2)cc1 ZINC000598950436 439333602 /nfs/dbraw/zinc/33/36/02/439333602.db2.gz QCNZVNUZNUAQII-HNNXBMFYSA-N 1 1 339.399 0.923 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000490842133 439301983 /nfs/dbraw/zinc/30/19/83/439301983.db2.gz ZBYCAKGSBOOGFR-QGZVFWFLSA-N 1 1 346.475 0.098 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000490875421 439307332 /nfs/dbraw/zinc/30/73/32/439307332.db2.gz PZQPBHIPGSCJPD-OAHLLOKOSA-N 1 1 342.461 0.689 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000490914271 439310276 /nfs/dbraw/zinc/31/02/76/439310276.db2.gz GWSJUJRSLAMRQY-ZIAGYGMSSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000490914271 439310281 /nfs/dbraw/zinc/31/02/81/439310281.db2.gz GWSJUJRSLAMRQY-ZIAGYGMSSA-N 1 1 349.456 0.763 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000528527432 439346573 /nfs/dbraw/zinc/34/65/73/439346573.db2.gz SIKUCYVVCMNNPT-ZDUSSCGKSA-N 1 1 335.367 0.894 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000491209886 439350515 /nfs/dbraw/zinc/35/05/15/439350515.db2.gz NEFCJVPPRPFPMG-UHFFFAOYSA-N 1 1 346.362 0.738 20 30 ECEDMO CN(C(=O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1)C1(C#N)CCCCC1 ZINC000528751637 439368355 /nfs/dbraw/zinc/36/83/55/439368355.db2.gz UXQFCHWLPQTHMG-CALCHBBNSA-N 1 1 337.464 0.984 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1)C1(C#N)CCCCC1 ZINC000528751637 439368358 /nfs/dbraw/zinc/36/83/58/439368358.db2.gz UXQFCHWLPQTHMG-CALCHBBNSA-N 1 1 337.464 0.984 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000491496660 439394270 /nfs/dbraw/zinc/39/42/70/439394270.db2.gz RYSXWSVRVKPTGN-UHFFFAOYSA-N 1 1 330.392 0.115 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000491497001 439395100 /nfs/dbraw/zinc/39/51/00/439395100.db2.gz UZKGZZZZOFOHGG-UHFFFAOYSA-N 1 1 343.431 0.086 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000491516433 439396017 /nfs/dbraw/zinc/39/60/17/439396017.db2.gz TVZNWIGPRRQQKX-UHFFFAOYSA-N 1 1 348.491 0.535 20 30 ECEDMO COCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599263651 439407561 /nfs/dbraw/zinc/40/75/61/439407561.db2.gz KVKJXLHUTVVPTJ-AWEZNQCLSA-N 1 1 327.425 0.094 20 30 ECEDMO COCC[N@H+](CC(=O)N(C)C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599263651 439407567 /nfs/dbraw/zinc/40/75/67/439407567.db2.gz KVKJXLHUTVVPTJ-AWEZNQCLSA-N 1 1 327.425 0.094 20 30 ECEDMO N#CC1(C[C@H](O)C[NH+]2CCN(c3ncccn3)CC2)CCOCC1 ZINC000599252749 439402671 /nfs/dbraw/zinc/40/26/71/439402671.db2.gz ZZKASLRNLQMNQX-HNNXBMFYSA-N 1 1 331.420 0.670 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000491617499 439412912 /nfs/dbraw/zinc/41/29/12/439412912.db2.gz CSQKYEIHIXVYJZ-INIZCTEOSA-N 1 1 348.491 0.377 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000491639049 439416817 /nfs/dbraw/zinc/41/68/17/439416817.db2.gz XUICOEHNFRVLKW-UHFFFAOYSA-N 1 1 342.399 0.423 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000583082982 439418113 /nfs/dbraw/zinc/41/81/13/439418113.db2.gz WKAGNKMNXBOVDO-DYVFJYSZSA-N 1 1 340.427 0.968 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 ZINC000491744317 439440549 /nfs/dbraw/zinc/44/05/49/439440549.db2.gz NIKJCIMHOKTVOC-UHFFFAOYSA-N 1 1 340.449 0.386 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)[C@]3(CCCO3)[C@@H]2C2CC2)CC1 ZINC000491748330 439442538 /nfs/dbraw/zinc/44/25/38/439442538.db2.gz RAUKBNCSVGFXNC-LPHOPBHVSA-N 1 1 345.443 0.575 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1cc(OC)cc(OC)c1 ZINC000491766075 439445715 /nfs/dbraw/zinc/44/57/15/439445715.db2.gz DCTAVVWJVKEWDQ-UHFFFAOYSA-N 1 1 347.415 0.505 20 30 ECEDMO COCCN1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1=O ZINC000599385298 439451452 /nfs/dbraw/zinc/45/14/52/439451452.db2.gz CQLVHKGDHOOSCV-HNNXBMFYSA-N 1 1 339.436 0.238 20 30 ECEDMO COCCN1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1=O ZINC000599385298 439451457 /nfs/dbraw/zinc/45/14/57/439451457.db2.gz CQLVHKGDHOOSCV-HNNXBMFYSA-N 1 1 339.436 0.238 20 30 ECEDMO COCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)COc1ccccc1C#N ZINC000599266306 439409298 /nfs/dbraw/zinc/40/92/98/439409298.db2.gz WQLBXIPLPWMXDI-OAHLLOKOSA-N 1 1 335.404 0.335 20 30 ECEDMO COCC[N@H+](CC(=O)N(C)C)C[C@@H](O)COc1ccccc1C#N ZINC000599266306 439409304 /nfs/dbraw/zinc/40/93/04/439409304.db2.gz WQLBXIPLPWMXDI-OAHLLOKOSA-N 1 1 335.404 0.335 20 30 ECEDMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000593927475 439496233 /nfs/dbraw/zinc/49/62/33/439496233.db2.gz DCHQDIMMLUIQDF-UHFFFAOYSA-N 1 1 337.468 0.185 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](CCCN3CCCC3=O)CC2)c1C#N ZINC000530413462 439498612 /nfs/dbraw/zinc/49/86/12/439498612.db2.gz RBXQBQJMIGXORW-UHFFFAOYSA-N 1 1 330.436 0.735 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1C#N ZINC000530413837 439498986 /nfs/dbraw/zinc/49/89/86/439498986.db2.gz HVKSAAXDQBXKDW-IYBDPMFKSA-N 1 1 344.463 0.585 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1C#N ZINC000530413837 439498990 /nfs/dbraw/zinc/49/89/90/439498990.db2.gz HVKSAAXDQBXKDW-IYBDPMFKSA-N 1 1 344.463 0.585 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)n(CCC#N)n1 ZINC000533000487 439523524 /nfs/dbraw/zinc/52/35/24/439523524.db2.gz CDTWBLPBVFGDQY-LBPRGKRZSA-N 1 1 332.408 0.502 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000599693957 439538150 /nfs/dbraw/zinc/53/81/50/439538150.db2.gz QEIVZSSNJFBVKR-SWLSCSKDSA-N 1 1 342.465 0.056 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000599693957 439538153 /nfs/dbraw/zinc/53/81/53/439538153.db2.gz QEIVZSSNJFBVKR-SWLSCSKDSA-N 1 1 342.465 0.056 20 30 ECEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000584220050 439563325 /nfs/dbraw/zinc/56/33/25/439563325.db2.gz HTQMGUPHZKWLGE-HUUCEWRRSA-N 1 1 333.436 0.879 20 30 ECEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000584220050 439563329 /nfs/dbraw/zinc/56/33/29/439563329.db2.gz HTQMGUPHZKWLGE-HUUCEWRRSA-N 1 1 333.436 0.879 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000531841675 439513776 /nfs/dbraw/zinc/51/37/76/439513776.db2.gz XHRKQZUEWLSUBS-HNNXBMFYSA-N 1 1 331.420 0.729 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000531841675 439513781 /nfs/dbraw/zinc/51/37/81/439513781.db2.gz XHRKQZUEWLSUBS-HNNXBMFYSA-N 1 1 331.420 0.729 20 30 ECEDMO COC(=O)c1ccc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)nc1 ZINC000571620365 439516825 /nfs/dbraw/zinc/51/68/25/439516825.db2.gz NODVLXRCUKSAKY-UHFFFAOYSA-N 1 1 328.376 1.110 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1 ZINC000599940219 439581526 /nfs/dbraw/zinc/58/15/26/439581526.db2.gz MXEOUZNKTMVGKT-WBVHZDCISA-N 1 1 328.416 0.905 20 30 ECEDMO C=CCSCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609686262 439585508 /nfs/dbraw/zinc/58/55/08/439585508.db2.gz XDVWYCMQHCXPPG-HNNXBMFYSA-N 1 1 342.509 0.611 20 30 ECEDMO CN1CCN(C(=O)C[N@@H+](C)CCC(=O)Nc2sccc2C#N)CC1 ZINC000610246621 439603043 /nfs/dbraw/zinc/60/30/43/439603043.db2.gz JEIQEOUBLXFTPP-UHFFFAOYSA-N 1 1 349.460 0.654 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 ZINC000610423944 439615941 /nfs/dbraw/zinc/61/59/41/439615941.db2.gz KEUGRTTVYOKUER-CQSZACIVSA-N 1 1 345.403 0.403 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 ZINC000610423944 439615944 /nfs/dbraw/zinc/61/59/44/439615944.db2.gz KEUGRTTVYOKUER-CQSZACIVSA-N 1 1 345.403 0.403 20 30 ECEDMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000585714535 439644368 /nfs/dbraw/zinc/64/43/68/439644368.db2.gz ICJWKEGDZVRPTM-HEHGZKQESA-N 1 1 344.415 0.571 20 30 ECEDMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000585714535 439644369 /nfs/dbraw/zinc/64/43/69/439644369.db2.gz ICJWKEGDZVRPTM-HEHGZKQESA-N 1 1 344.415 0.571 20 30 ECEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000585777627 439649505 /nfs/dbraw/zinc/64/95/05/439649505.db2.gz FJTPHEVTJWQIML-GJZGRUSLSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC[N@H+]1C ZINC000586859756 439664715 /nfs/dbraw/zinc/66/47/15/439664715.db2.gz HVXGOPBLVBQPMV-SMDDNHRTSA-N 1 1 332.379 0.912 20 30 ECEDMO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000595340405 439707597 /nfs/dbraw/zinc/70/75/97/439707597.db2.gz WGDQCWFGORDUSV-GJZGRUSLSA-N 1 1 332.452 0.560 20 30 ECEDMO N#Cc1ccncc1N1CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000600846583 439710991 /nfs/dbraw/zinc/71/09/91/439710991.db2.gz QCPPQFOEJBRETL-MRXNPFEDSA-N 1 1 346.431 0.368 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000600533170 439674570 /nfs/dbraw/zinc/67/45/70/439674570.db2.gz KMBNAZKLPNHADH-IAGOWNOFSA-N 1 1 328.416 0.710 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@](C)(C#N)C1)c(=O)n2C ZINC000612163441 439681821 /nfs/dbraw/zinc/68/18/21/439681821.db2.gz QRKGNBPTZVXLTK-QGZVFWFLSA-N 1 1 344.419 0.449 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@](C)(C#N)C1)c(=O)n2C ZINC000612163441 439681826 /nfs/dbraw/zinc/68/18/26/439681826.db2.gz QRKGNBPTZVXLTK-QGZVFWFLSA-N 1 1 344.419 0.449 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000611225800 439682900 /nfs/dbraw/zinc/68/29/00/439682900.db2.gz OYTWIFDWGLFCRK-HZPDHXFCSA-N 1 1 329.400 0.799 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000611225800 439682903 /nfs/dbraw/zinc/68/29/03/439682903.db2.gz OYTWIFDWGLFCRK-HZPDHXFCSA-N 1 1 329.400 0.799 20 30 ECEDMO C=CCCSCCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000595271259 439687367 /nfs/dbraw/zinc/68/73/67/439687367.db2.gz JVGOKUNBHVLCBY-CQSZACIVSA-N 1 1 340.493 0.902 20 30 ECEDMO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1C#N)CN1CCN(C)CC1 ZINC000600729099 439695719 /nfs/dbraw/zinc/69/57/19/439695719.db2.gz WSUOYXLVJJYGFQ-SJLPKXTDSA-N 1 1 346.475 0.771 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000612534775 439724734 /nfs/dbraw/zinc/72/47/34/439724734.db2.gz JLJJKFMCNMAREQ-IRXDYDNUSA-N 1 1 331.416 0.509 20 30 ECEDMO CN1CC(=O)N(CC[NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000595471853 439731988 /nfs/dbraw/zinc/73/19/88/439731988.db2.gz FIKNFYVYBKYQAN-UHFFFAOYSA-N 1 1 327.388 0.833 20 30 ECEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3nc(N)n[nH]3)CC2)cc1 ZINC000595487437 439733945 /nfs/dbraw/zinc/73/39/45/439733945.db2.gz ITKJQDARWMSROL-UHFFFAOYSA-N 1 1 325.376 1.077 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000595490384 439734023 /nfs/dbraw/zinc/73/40/23/439734023.db2.gz ZHFBUDSIZGNFAY-MEDUHNTESA-N 1 1 333.440 1.009 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000595500495 439735525 /nfs/dbraw/zinc/73/55/25/439735525.db2.gz RQHNQVDSEBSWDN-GXTWGEPZSA-N 1 1 349.435 0.614 20 30 ECEDMO C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1(CO)CCOCC1 ZINC000616830425 439823025 /nfs/dbraw/zinc/82/30/25/439823025.db2.gz PVKFIPHZMZYDCS-MRXNPFEDSA-N 1 1 334.416 0.966 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000615793863 439806726 /nfs/dbraw/zinc/80/67/26/439806726.db2.gz RJKRDOZNTZWUBS-ZFWWWQNUSA-N 1 1 347.463 0.351 20 30 ECEDMO C=CCCC(C)(C)CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000636443780 439883257 /nfs/dbraw/zinc/88/32/57/439883257.db2.gz CZAJJWRLECVRNV-UHFFFAOYSA-N 1 1 325.453 0.934 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N(CCC)[C@H]2CCN(C)C2)CC1 ZINC000647028704 439972879 /nfs/dbraw/zinc/97/28/79/439972879.db2.gz CZFOUVDKXKBGDZ-INIZCTEOSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000636646052 439976214 /nfs/dbraw/zinc/97/62/14/439976214.db2.gz UTBUNEXAMQAFDO-CQSZACIVSA-N 1 1 325.453 0.789 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)nn1 ZINC000648826202 440340398 /nfs/dbraw/zinc/34/03/98/440340398.db2.gz OWYYHRSKJWYPFL-MRXNPFEDSA-N 1 1 341.415 0.613 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCCC[N@H+](C)CC(C)C)C1=O ZINC000650178375 440603089 /nfs/dbraw/zinc/60/30/89/440603089.db2.gz NGKIZFCBKCVDIV-UHFFFAOYSA-N 1 1 338.408 0.057 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000651106625 440748838 /nfs/dbraw/zinc/74/88/38/440748838.db2.gz KPBXULOVRUTNDP-ZBFHGGJFSA-N 1 1 349.456 0.927 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000645169539 440759341 /nfs/dbraw/zinc/75/93/41/440759341.db2.gz HJWAEGHYIZRZOW-OAHLLOKOSA-N 1 1 338.452 0.051 20 30 ECEDMO C=CC[C@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000661379765 440843639 /nfs/dbraw/zinc/84/36/39/440843639.db2.gz IEYJIRAUMADLCR-ZDUSSCGKSA-N 1 1 331.420 0.722 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001077992351 782092593 /nfs/dbraw/zinc/09/25/93/782092593.db2.gz WOISRSZLZAJYAK-HUUCEWRRSA-N 1 1 330.388 0.064 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001077992351 782092606 /nfs/dbraw/zinc/09/26/06/782092606.db2.gz WOISRSZLZAJYAK-HUUCEWRRSA-N 1 1 330.388 0.064 20 30 ECEDMO N#Cc1ncn(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000541057177 322088821 /nfs/dbraw/zinc/08/88/21/322088821.db2.gz ZUUUZRNSGGUESY-OAHLLOKOSA-N 1 1 340.387 0.033 20 30 ECEDMO COCC(COC)[NH+]1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000573723953 322766879 /nfs/dbraw/zinc/76/68/79/322766879.db2.gz HZZZBRGIPGPJAG-UHFFFAOYSA-N 1 1 344.419 0.380 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC001041741000 782097865 /nfs/dbraw/zinc/09/78/65/782097865.db2.gz HTNAKTVLLMMOKY-QGZVFWFLSA-N 1 1 332.404 0.037 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000329398698 546022790 /nfs/dbraw/zinc/02/27/90/546022790.db2.gz YENOMXACONNDHH-LBPRGKRZSA-N 1 1 337.424 0.258 20 30 ECEDMO C[C@H](CNC(=O)c1nn(C)c2ccccc2c1=O)N1CC[NH+](C)CC1 ZINC000329620514 546029255 /nfs/dbraw/zinc/02/92/55/546029255.db2.gz FJFUPKWEEZMIDO-CYBMUJFWSA-N 1 1 343.431 0.874 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000619569030 546342157 /nfs/dbraw/zinc/34/21/57/546342157.db2.gz JORYFURDJWTZRI-UHFFFAOYSA-N 1 1 331.380 0.277 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCC[N@@H+](CCOC)C1 ZINC000619709487 546360225 /nfs/dbraw/zinc/36/02/25/546360225.db2.gz WGPVVKQVQGQMGD-KBPBESRZSA-N 1 1 332.470 0.413 20 30 ECEDMO C=CCCn1cc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)nn1 ZINC000623616913 546812893 /nfs/dbraw/zinc/81/28/93/546812893.db2.gz LJWVFYZEWAQSCX-KRWDZBQOSA-N 1 1 335.452 0.560 20 30 ECEDMO CC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCNC1=O ZINC000625396815 547088259 /nfs/dbraw/zinc/08/82/59/547088259.db2.gz UBOTWPBEGQRQOH-OAHLLOKOSA-N 1 1 325.368 0.496 20 30 ECEDMO CC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCNC1=O ZINC000625396815 547088264 /nfs/dbraw/zinc/08/82/64/547088264.db2.gz UBOTWPBEGQRQOH-OAHLLOKOSA-N 1 1 325.368 0.496 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626169244 547308262 /nfs/dbraw/zinc/30/82/62/547308262.db2.gz IPIKSGCXFSRBDH-LSDHHAIUSA-N 1 1 343.493 0.837 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000626306905 547331901 /nfs/dbraw/zinc/33/19/01/547331901.db2.gz DQSCHACBLPYFHN-HNNXBMFYSA-N 1 1 332.404 0.791 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000668803159 547754532 /nfs/dbraw/zinc/75/45/32/547754532.db2.gz IGCOAGXNMXIVOH-IRXDYDNUSA-N 1 1 336.480 0.696 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)cn1 ZINC001078032397 782180134 /nfs/dbraw/zinc/18/01/34/782180134.db2.gz LZUPYTHEGBQEDN-BRWVUGGUSA-N 1 1 343.427 0.653 20 30 ECEDMO COC(=O)[C@H](c1ccc(C#N)cc1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000751480590 579369627 /nfs/dbraw/zinc/36/96/27/579369627.db2.gz KQOLSUYJLQZRBW-SJORKVTESA-N 1 1 347.415 0.397 20 30 ECEDMO CNC(=O)CCC[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000753208842 579397212 /nfs/dbraw/zinc/39/72/12/579397212.db2.gz LGRWEBGPWJSTBG-UHFFFAOYSA-N 1 1 327.388 0.878 20 30 ECEDMO CNC(=O)CCC[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000753208842 579397214 /nfs/dbraw/zinc/39/72/14/579397214.db2.gz LGRWEBGPWJSTBG-UHFFFAOYSA-N 1 1 327.388 0.878 20 30 ECEDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000755920918 579441225 /nfs/dbraw/zinc/44/12/25/579441225.db2.gz IYUAVTPPKFPNDP-NSHDSACASA-N 1 1 331.401 0.933 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCN1CCOC1=O ZINC000756910483 579456582 /nfs/dbraw/zinc/45/65/82/579456582.db2.gz BGDIYCIXZJDFDE-ZDUSSCGKSA-N 1 1 330.392 0.701 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCN1CCOC1=O ZINC000756910483 579456584 /nfs/dbraw/zinc/45/65/84/579456584.db2.gz BGDIYCIXZJDFDE-ZDUSSCGKSA-N 1 1 330.392 0.701 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 ZINC000757592752 579462421 /nfs/dbraw/zinc/46/24/21/579462421.db2.gz KBIBQZUEZGNJNW-AGIUHOORSA-N 1 1 338.408 0.192 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 ZINC000757592752 579462422 /nfs/dbraw/zinc/46/24/22/579462422.db2.gz KBIBQZUEZGNJNW-AGIUHOORSA-N 1 1 338.408 0.192 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nc1 ZINC000729497638 578296143 /nfs/dbraw/zinc/29/61/43/578296143.db2.gz XRSHQFLVRHOIDF-CABCVRRESA-N 1 1 344.419 0.528 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N(CC)CC)CC1 ZINC000730096217 578303213 /nfs/dbraw/zinc/30/32/13/578303213.db2.gz NSHSZNMMVCHKKO-INIZCTEOSA-N 1 1 334.464 0.097 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N(CC)CC)CC1 ZINC000730096217 578303215 /nfs/dbraw/zinc/30/32/15/578303215.db2.gz NSHSZNMMVCHKKO-INIZCTEOSA-N 1 1 334.464 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000730274488 578304382 /nfs/dbraw/zinc/30/43/82/578304382.db2.gz QYWSNOLEOFFCIC-AWEZNQCLSA-N 1 1 341.477 0.452 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000730274488 578304383 /nfs/dbraw/zinc/30/43/83/578304383.db2.gz QYWSNOLEOFFCIC-AWEZNQCLSA-N 1 1 341.477 0.452 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000732070292 578318779 /nfs/dbraw/zinc/31/87/79/578318779.db2.gz MVRFQTPUQCEHHS-BBRMVZONSA-N 1 1 349.456 0.870 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000732070292 578318780 /nfs/dbraw/zinc/31/87/80/578318780.db2.gz MVRFQTPUQCEHHS-BBRMVZONSA-N 1 1 349.456 0.870 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000732467611 578326077 /nfs/dbraw/zinc/32/60/77/578326077.db2.gz WAECXXVOALFAHG-ZGTROFRASA-N 1 1 347.419 0.296 20 30 ECEDMO CCOCCC[N@H+]1CCC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)[C@@H](C)C1 ZINC000735229695 578380580 /nfs/dbraw/zinc/38/05/80/578380580.db2.gz OAURKGPCROANKF-NSHDSACASA-N 1 1 347.423 0.968 20 30 ECEDMO COC(=O)[C@]12C[N@H+](Cn3ccc(C)c(C#N)c3=O)C[C@H]1COCC2 ZINC000794680294 578597755 /nfs/dbraw/zinc/59/77/55/578597755.db2.gz QOLBGQQRGPBJLN-SUMWQHHRSA-N 1 1 331.372 0.497 20 30 ECEDMO COC(=O)[C@]12C[N@@H+](Cn3ccc(C)c(C#N)c3=O)C[C@H]1COCC2 ZINC000794680294 578597757 /nfs/dbraw/zinc/59/77/57/578597757.db2.gz QOLBGQQRGPBJLN-SUMWQHHRSA-N 1 1 331.372 0.497 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CCO1 ZINC000794833926 578600419 /nfs/dbraw/zinc/60/04/19/578600419.db2.gz SMODWDBRTWGAEB-HIFRSBDPSA-N 1 1 330.388 0.654 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CCO1 ZINC000794833926 578600422 /nfs/dbraw/zinc/60/04/22/578600422.db2.gz SMODWDBRTWGAEB-HIFRSBDPSA-N 1 1 330.388 0.654 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC(C)=C[C@H](C)C2)c1=O ZINC000797419924 578633877 /nfs/dbraw/zinc/63/38/77/578633877.db2.gz UTURBVIADGEAJM-ZDUSSCGKSA-N 1 1 332.404 0.399 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC(C)=C[C@H](C)C2)c1=O ZINC000797419924 578633878 /nfs/dbraw/zinc/63/38/78/578633878.db2.gz UTURBVIADGEAJM-ZDUSSCGKSA-N 1 1 332.404 0.399 20 30 ECEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000780057794 578685366 /nfs/dbraw/zinc/68/53/66/578685366.db2.gz YUTOPQZVSVGVFT-OLZOCXBDSA-N 1 1 330.388 0.984 20 30 ECEDMO CN(C)CC[NH+]1CCC(NC(=O)NCc2ccc(C#N)cn2)CC1 ZINC000780265474 578690449 /nfs/dbraw/zinc/69/04/49/578690449.db2.gz JKRLENAAVQHFKW-UHFFFAOYSA-N 1 1 330.436 0.778 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)NCc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000780655565 578698613 /nfs/dbraw/zinc/69/86/13/578698613.db2.gz XXDACOBJEWXXFJ-ZDUSSCGKSA-N 1 1 345.403 0.732 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)NCc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000780655565 578698614 /nfs/dbraw/zinc/69/86/14/578698614.db2.gz XXDACOBJEWXXFJ-ZDUSSCGKSA-N 1 1 345.403 0.732 20 30 ECEDMO C=CCN(C(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)C(C)C ZINC000790188331 578869297 /nfs/dbraw/zinc/86/92/97/578869297.db2.gz DEJOGAXVFXEHKO-INIZCTEOSA-N 1 1 338.496 0.799 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000769943363 579156131 /nfs/dbraw/zinc/15/61/31/579156131.db2.gz PSULPWVBKLFUBC-UHFFFAOYSA-N 1 1 332.400 0.862 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000769943363 579156133 /nfs/dbraw/zinc/15/61/33/579156133.db2.gz PSULPWVBKLFUBC-UHFFFAOYSA-N 1 1 332.400 0.862 20 30 ECEDMO C#C[C@H](NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000773366780 579225955 /nfs/dbraw/zinc/22/59/55/579225955.db2.gz HLXDETDOGZZJAP-IXDOHACOSA-N 1 1 336.480 0.740 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)[C@H]1CCCO1 ZINC000775784100 579271105 /nfs/dbraw/zinc/27/11/05/579271105.db2.gz GXPHMYANNYHOLB-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1ccccc1SCC(N)=O)[C@@H]1CCCO1 ZINC000775789826 579271189 /nfs/dbraw/zinc/27/11/89/579271189.db2.gz DHKNFZILUNOJDR-OCCSQVGLSA-N 1 1 347.440 0.973 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000775806486 579271728 /nfs/dbraw/zinc/27/17/28/579271728.db2.gz LUIRVPISZIRSMN-KBPBESRZSA-N 1 1 337.401 0.043 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[C@H]1CCCO1 ZINC000776227567 579278138 /nfs/dbraw/zinc/27/81/38/579278138.db2.gz ZEOWRQWONNZUKI-OKZBNKHCSA-N 1 1 348.491 0.979 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000776592298 579285512 /nfs/dbraw/zinc/28/55/12/579285512.db2.gz DYEKLNQYPMEHLN-QGZVFWFLSA-N 1 1 327.428 0.747 20 30 ECEDMO N#Cc1ccc([C@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)C(N)=O)cc1 ZINC000776741547 579288764 /nfs/dbraw/zinc/28/87/64/579288764.db2.gz VKJBBJHWNXJZGL-GJZGRUSLSA-N 1 1 331.372 0.596 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000761032584 579519931 /nfs/dbraw/zinc/51/99/31/579519931.db2.gz LERPCHXDICTFSX-UHFFFAOYSA-N 1 1 343.371 0.041 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000763456767 579560577 /nfs/dbraw/zinc/56/05/77/579560577.db2.gz YQHBAMUOQBUOBG-LSDHHAIUSA-N 1 1 331.372 0.629 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000763456767 579560578 /nfs/dbraw/zinc/56/05/78/579560578.db2.gz YQHBAMUOQBUOBG-LSDHHAIUSA-N 1 1 331.372 0.629 20 30 ECEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000764510783 579577735 /nfs/dbraw/zinc/57/77/35/579577735.db2.gz YQXMBOUOJKRSDC-CMTMBAJVSA-N 1 1 334.420 0.894 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000742198695 579781925 /nfs/dbraw/zinc/78/19/25/579781925.db2.gz MSDMSLWGBMLRRO-ZDUSSCGKSA-N 1 1 335.429 0.374 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000742198695 579781927 /nfs/dbraw/zinc/78/19/27/579781927.db2.gz MSDMSLWGBMLRRO-ZDUSSCGKSA-N 1 1 335.429 0.374 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)CC1 ZINC000744371316 579808854 /nfs/dbraw/zinc/80/88/54/579808854.db2.gz SIPAQIANVUNMNM-GOSISDBHSA-N 1 1 341.411 0.968 20 30 ECEDMO C#CCN1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000746257967 579834433 /nfs/dbraw/zinc/83/44/33/579834433.db2.gz IQKMBGDTLZEMNQ-IBGZPJMESA-N 1 1 327.428 0.401 20 30 ECEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746353721 579836682 /nfs/dbraw/zinc/83/66/82/579836682.db2.gz KFYCZUTZQTXCNG-CYBMUJFWSA-N 1 1 332.408 0.726 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cnc2cnccn12 ZINC000746370515 579837049 /nfs/dbraw/zinc/83/70/49/579837049.db2.gz LIXKPEXNQLERPQ-UHFFFAOYSA-N 1 1 347.448 0.250 20 30 ECEDMO C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)C(=O)OC ZINC000837941381 588966604 /nfs/dbraw/zinc/96/66/04/588966604.db2.gz FQIMYBGWDPXHAX-KFWWJZLASA-N 1 1 349.431 0.000 20 30 ECEDMO C[C@]1(F)C[NH2+]CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000841253220 588984767 /nfs/dbraw/zinc/98/47/67/588984767.db2.gz NPNMADAHFRUCRM-INIZCTEOSA-N 1 1 334.351 0.687 20 30 ECEDMO N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000804732555 586063220 /nfs/dbraw/zinc/06/32/20/586063220.db2.gz SFZIYTJHAJTDIW-OAHLLOKOSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCCn2nc(C(=O)OC)cc21 ZINC000895058057 586158675 /nfs/dbraw/zinc/15/86/75/586158675.db2.gz YOJXNSIYQASIAH-CYBMUJFWSA-N 1 1 347.419 0.759 20 30 ECEDMO C#CC1(O)CN(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000891541007 586175317 /nfs/dbraw/zinc/17/53/17/586175317.db2.gz ZQHNVWMOMNUJBX-AWEZNQCLSA-N 1 1 348.472 0.426 20 30 ECEDMO CN1CCN(C(=O)NCCc2ccc(C#N)cc2)CC[N@@H+](C)CC1 ZINC000895649114 586194821 /nfs/dbraw/zinc/19/48/21/586194821.db2.gz JDCYPXDWJFSAHG-UHFFFAOYSA-N 1 1 329.448 0.990 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCCc2cnccc2C)CC1 ZINC000895919706 586213158 /nfs/dbraw/zinc/21/31/58/586213158.db2.gz BWFAXFZWDXEINH-UHFFFAOYSA-N 1 1 336.461 0.408 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)s3)CC2)CC1 ZINC000896237551 586230562 /nfs/dbraw/zinc/23/05/62/586230562.db2.gz UJHZQGDMTGDEER-UHFFFAOYSA-N 1 1 347.444 0.745 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)C1 ZINC000896489444 586243567 /nfs/dbraw/zinc/24/35/67/586243567.db2.gz OPTZPQAYVDRMFN-ZDUSSCGKSA-N 1 1 345.403 0.403 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)C1 ZINC000896489444 586243570 /nfs/dbraw/zinc/24/35/70/586243570.db2.gz OPTZPQAYVDRMFN-ZDUSSCGKSA-N 1 1 345.403 0.403 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(c3ccc(C#N)cc3CS(N)(=O)=O)C[C@]2(C)C1 ZINC000896912160 586277563 /nfs/dbraw/zinc/27/75/63/586277563.db2.gz QBDRVJYPZXRPFH-ZBFHGGJFSA-N 1 1 334.445 0.735 20 30 ECEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900135649 586525952 /nfs/dbraw/zinc/52/59/52/586525952.db2.gz XNHHVROCGIXRIQ-SJLPKXTDSA-N 1 1 331.416 0.988 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000900175941 586530691 /nfs/dbraw/zinc/53/06/91/586530691.db2.gz FOMBQAQXLVPQCB-UGSOOPFHSA-N 1 1 346.406 0.801 20 30 ECEDMO C[C@@H](CNC(=O)c1cccc(C#CCO)c1)CN1CC[NH+](C)CC1 ZINC000900692205 586656888 /nfs/dbraw/zinc/65/68/88/586656888.db2.gz GTOSQFRNUPWRJX-INIZCTEOSA-N 1 1 329.444 0.644 20 30 ECEDMO N#Cc1ccc([C@@H](NC[C@@H]2CC[N@H+]2C2CCOCC2)C(N)=O)cc1 ZINC000901629060 586712826 /nfs/dbraw/zinc/71/28/26/586712826.db2.gz BIJIDNAKNCGGMH-DLBZAZTESA-N 1 1 328.416 0.928 20 30 ECEDMO N#Cc1ccc([C@@H]([NH2+]C[C@@H]2CCN2C2CCOCC2)C(N)=O)cc1 ZINC000901629060 586712828 /nfs/dbraw/zinc/71/28/28/586712828.db2.gz BIJIDNAKNCGGMH-DLBZAZTESA-N 1 1 328.416 0.928 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000838623553 586819151 /nfs/dbraw/zinc/81/91/51/586819151.db2.gz HYUQELCWMRRTKR-AWEZNQCLSA-N 1 1 329.466 0.550 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000838623553 586819153 /nfs/dbraw/zinc/81/91/53/586819153.db2.gz HYUQELCWMRRTKR-AWEZNQCLSA-N 1 1 329.466 0.550 20 30 ECEDMO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000839630890 586884608 /nfs/dbraw/zinc/88/46/08/586884608.db2.gz QPRURCGBJPNLOC-CVEARBPZSA-N 1 1 345.399 0.809 20 30 ECEDMO CCO[C@@H](CNCCS(=O)(=O)c1cccc(C#N)c1)C[NH+](C)C ZINC000905581761 586903489 /nfs/dbraw/zinc/90/34/89/586903489.db2.gz WVIMJRUOSRAAQK-HNNXBMFYSA-N 1 1 339.461 0.888 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000905684846 586909467 /nfs/dbraw/zinc/90/94/67/586909467.db2.gz SECXXJNVWMBGMA-UHFFFAOYSA-N 1 1 328.416 0.784 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@H](O)C[C@@]3(O)CCOC3)CC2)c(F)c1 ZINC000905926797 586923180 /nfs/dbraw/zinc/92/31/80/586923180.db2.gz ITZIZNKDSGOTLF-QAPCUYQASA-N 1 1 349.406 0.722 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000806041356 586954370 /nfs/dbraw/zinc/95/43/70/586954370.db2.gz VZQCQSCQTVQIRU-WFASDCNBSA-N 1 1 344.415 0.782 20 30 ECEDMO C=C(CO)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804448914 587085504 /nfs/dbraw/zinc/08/55/04/587085504.db2.gz RRVSUYAAAGRXLB-GOSISDBHSA-N 1 1 329.444 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000804558481 587087991 /nfs/dbraw/zinc/08/79/91/587087991.db2.gz ZECXBXAMEZHQED-IIYDPXPESA-N 1 1 332.404 0.063 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000804558481 587087993 /nfs/dbraw/zinc/08/79/93/587087993.db2.gz ZECXBXAMEZHQED-IIYDPXPESA-N 1 1 332.404 0.063 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC)[C@@H]1CCCO1 ZINC000806252213 587092056 /nfs/dbraw/zinc/09/20/56/587092056.db2.gz DGNODNORHQXWKB-JYJNAYRXSA-N 1 1 335.448 0.664 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCNc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000806412026 587095409 /nfs/dbraw/zinc/09/54/09/587095409.db2.gz JBOYFPDDVUFUPI-UONOGXRCSA-N 1 1 346.435 0.462 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000809308921 587174281 /nfs/dbraw/zinc/17/42/81/587174281.db2.gz NORPGIJZTXXBOH-CABCVRRESA-N 1 1 332.404 0.337 20 30 ECEDMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C=NOC)cc2)CC1 ZINC000809709986 587182048 /nfs/dbraw/zinc/18/20/48/587182048.db2.gz KKYJWSJETAPUMY-UHFFFAOYSA-N 1 1 332.404 0.964 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000814145064 587270949 /nfs/dbraw/zinc/27/09/49/587270949.db2.gz KLGGDKYNEWKULI-GOEBONIOSA-N 1 1 347.440 0.374 20 30 ECEDMO C=C[C@H](O)C(=O)O[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000814548533 587276860 /nfs/dbraw/zinc/27/68/60/587276860.db2.gz DIYYIRCRNOWKAQ-BMFZPTHFSA-N 1 1 332.400 0.856 20 30 ECEDMO CO[C@@](C)(C=NNC(=S)NCCC[NH+]1CCOCC1)C1CC1 ZINC000814728524 587278931 /nfs/dbraw/zinc/27/89/31/587278931.db2.gz ZQGDQMMPESIKSD-HNNXBMFYSA-N 1 1 328.482 0.974 20 30 ECEDMO CC(=NNc1cc[nH+]cc1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000814899782 587280057 /nfs/dbraw/zinc/28/00/57/587280057.db2.gz MWNJTRHLMKUEJB-UHFFFAOYSA-N 1 1 332.385 0.599 20 30 ECEDMO CS(=O)(=O)CC1CCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000814923725 587280208 /nfs/dbraw/zinc/28/02/08/587280208.db2.gz NHFQRUZTPCBSQS-UHFFFAOYSA-N 1 1 331.482 0.889 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000815063052 587281988 /nfs/dbraw/zinc/28/19/88/587281988.db2.gz UWUZPAKBHSMHIR-KGLIPLIRSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000815063052 587281990 /nfs/dbraw/zinc/28/19/90/587281990.db2.gz UWUZPAKBHSMHIR-KGLIPLIRSA-N 1 1 339.436 0.740 20 30 ECEDMO N#Cc1ccsc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000815507231 587292209 /nfs/dbraw/zinc/29/22/09/587292209.db2.gz ZRYZVPBHEQTYEU-VXGBXAGGSA-N 1 1 334.401 0.538 20 30 ECEDMO O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000816756170 587324006 /nfs/dbraw/zinc/32/40/06/587324006.db2.gz RTUGYFOHRJESTQ-HUUCEWRRSA-N 1 1 333.388 0.384 20 30 ECEDMO O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000816756170 587324007 /nfs/dbraw/zinc/32/40/07/587324007.db2.gz RTUGYFOHRJESTQ-HUUCEWRRSA-N 1 1 333.388 0.384 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000817707857 587381986 /nfs/dbraw/zinc/38/19/86/587381986.db2.gz PNDXBYWSZHVTNU-INIZCTEOSA-N 1 1 325.412 0.885 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000817819033 587386943 /nfs/dbraw/zinc/38/69/43/587386943.db2.gz GEGYAGUYKOBSNV-UHFFFAOYSA-N 1 1 339.399 0.400 20 30 ECEDMO C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC000818294889 587421383 /nfs/dbraw/zinc/42/13/83/587421383.db2.gz ILLYSNWMJMBTSD-CQSZACIVSA-N 1 1 348.451 0.226 20 30 ECEDMO CCS(=O)(=O)CC[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000819260124 587474630 /nfs/dbraw/zinc/47/46/30/587474630.db2.gz OMCANJAMNIPTDK-OAHLLOKOSA-N 1 1 335.429 0.683 20 30 ECEDMO C#C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C1CCOCC1 ZINC000823167757 587707105 /nfs/dbraw/zinc/70/71/05/587707105.db2.gz HHYFBJLHSMQGCZ-GDBMZVCRSA-N 1 1 337.464 0.901 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)c2ccc(C#N)cc2OC)C1 ZINC000823811462 587744222 /nfs/dbraw/zinc/74/42/22/587744222.db2.gz QNPDWVRQJQTSJR-UHFFFAOYSA-N 1 1 347.415 0.986 20 30 ECEDMO N#CCCN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826382235 588036891 /nfs/dbraw/zinc/03/68/91/588036891.db2.gz UZFRDCHRFXODNQ-HNNXBMFYSA-N 1 1 327.392 0.431 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827704116 588136030 /nfs/dbraw/zinc/13/60/30/588136030.db2.gz BKGQGMPGHPITLN-KBPBESRZSA-N 1 1 341.477 0.391 20 30 ECEDMO CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000844368028 589109271 /nfs/dbraw/zinc/10/92/71/589109271.db2.gz QMWUNTKVOXGYQQ-QGZVFWFLSA-N 1 1 344.415 0.214 20 30 ECEDMO CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000844368028 589109273 /nfs/dbraw/zinc/10/92/73/589109273.db2.gz QMWUNTKVOXGYQQ-QGZVFWFLSA-N 1 1 344.415 0.214 20 30 ECEDMO C#CCOc1ccccc1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847318532 589241893 /nfs/dbraw/zinc/24/18/93/589241893.db2.gz GWZKLSNAHOVSGR-JKSUJKDBSA-N 1 1 329.400 0.659 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ncc1C#N ZINC000847489495 589251256 /nfs/dbraw/zinc/25/12/56/589251256.db2.gz OQDRJEASBBIKJQ-KBPBESRZSA-N 1 1 343.387 0.180 20 30 ECEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000852211337 589451038 /nfs/dbraw/zinc/45/10/38/589451038.db2.gz RRNTULJQOOEZLX-PKOBYXMFSA-N 1 1 339.395 0.897 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331907 589491424 /nfs/dbraw/zinc/49/14/24/589491424.db2.gz DRTWDCFODMWPPS-AEFFLSMTSA-N 1 1 332.448 0.878 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](N3CCOC3=O)C2)cc1 ZINC000852434207 589495969 /nfs/dbraw/zinc/49/59/69/589495969.db2.gz LLISXADBLKEYGG-GJZGRUSLSA-N 1 1 331.372 0.824 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C1CCOCC1 ZINC000852638858 589504163 /nfs/dbraw/zinc/50/41/63/589504163.db2.gz HCKYLEYZWUJSJX-HOCLYGCPSA-N 1 1 337.464 0.901 20 30 ECEDMO C[C@@]1(C#N)CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000852684058 589505960 /nfs/dbraw/zinc/50/59/60/589505960.db2.gz AGXVQSPOVTYFKG-INIZCTEOSA-N 1 1 347.419 0.898 20 30 ECEDMO C[C@@]1(C#N)CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000852684058 589505961 /nfs/dbraw/zinc/50/59/61/589505961.db2.gz AGXVQSPOVTYFKG-INIZCTEOSA-N 1 1 347.419 0.898 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CO[C@H](C2CC2)C1 ZINC000853267415 589539335 /nfs/dbraw/zinc/53/93/35/589539335.db2.gz PBPQAQHMPJGBRC-AWEZNQCLSA-N 1 1 326.466 0.728 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000858191964 589730340 /nfs/dbraw/zinc/73/03/40/589730340.db2.gz CTDMOSIIURHMBO-HUUCEWRRSA-N 1 1 338.452 0.301 20 30 ECEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1 ZINC000858311684 589740886 /nfs/dbraw/zinc/74/08/86/589740886.db2.gz KULUXCJBRCAYOG-LBPRGKRZSA-N 1 1 338.433 0.558 20 30 ECEDMO C[N@H+](CC(=O)NCc1ccco1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000859064586 589797464 /nfs/dbraw/zinc/79/74/64/589797464.db2.gz PYFMWQLMEFSWLE-CQSZACIVSA-N 1 1 335.404 0.899 20 30 ECEDMO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCCNC1=O ZINC000859118653 589801002 /nfs/dbraw/zinc/80/10/02/589801002.db2.gz GOJFARLXEHUYOT-MRXNPFEDSA-N 1 1 339.395 0.887 20 30 ECEDMO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCCNC1=O ZINC000859118653 589801004 /nfs/dbraw/zinc/80/10/04/589801004.db2.gz GOJFARLXEHUYOT-MRXNPFEDSA-N 1 1 339.395 0.887 20 30 ECEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H](CN3CCOC3=O)C2)CCOCC1 ZINC000859318798 589820834 /nfs/dbraw/zinc/82/08/34/589820834.db2.gz JKXDQJNMBCQAAF-GJZGRUSLSA-N 1 1 337.420 0.832 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)COC(=O)N2 ZINC000861872051 589900506 /nfs/dbraw/zinc/90/05/06/589900506.db2.gz GTSSVKJHAIQGCK-UHFFFAOYSA-N 1 1 344.371 0.759 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@@]1(C(=O)OCC)CCCOC1 ZINC000868652457 589919389 /nfs/dbraw/zinc/91/93/89/589919389.db2.gz GETLXSSGMMOYON-KRWDZBQOSA-N 1 1 339.436 0.601 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000868653233 589919579 /nfs/dbraw/zinc/91/95/79/589919579.db2.gz MMSQAVSKYSDLSK-NSHDSACASA-N 1 1 332.330 0.636 20 30 ECEDMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)ccc1C#N ZINC000862648727 589954154 /nfs/dbraw/zinc/95/41/54/589954154.db2.gz DPMRVRGZFUUXNH-AWEZNQCLSA-N 1 1 330.388 0.636 20 30 ECEDMO N#Cc1ccc([C@@H](O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000862649009 589954210 /nfs/dbraw/zinc/95/42/10/589954210.db2.gz NYWAATSZOSMEBU-LSDHHAIUSA-N 1 1 330.388 0.048 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@]1(C#N)CCCOC1 ZINC000865106284 590125323 /nfs/dbraw/zinc/12/53/23/590125323.db2.gz GKXKJRBUGLHQEH-RHSMWYFYSA-N 1 1 336.436 0.366 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]1(C#N)CCCOC1 ZINC000865106286 590125470 /nfs/dbraw/zinc/12/54/70/590125470.db2.gz GKXKJRBUGLHQEH-YOEHRIQHSA-N 1 1 336.436 0.366 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000873649281 590193809 /nfs/dbraw/zinc/19/38/09/590193809.db2.gz CPLCZLMEFUBAJV-UHFFFAOYSA-N 1 1 348.378 0.783 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000875066557 590267050 /nfs/dbraw/zinc/26/70/50/590267050.db2.gz UWPLNRNPFJKBOL-HZPDHXFCSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000875124108 590273234 /nfs/dbraw/zinc/27/32/34/590273234.db2.gz YPKFYCKCDQWKRQ-HRCADAONSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000875262230 590287803 /nfs/dbraw/zinc/28/78/03/590287803.db2.gz VQSDUWMLYSURNF-HNSVSWJLSA-N 1 1 335.448 0.663 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCCO1 ZINC000875323046 590292943 /nfs/dbraw/zinc/29/29/43/590292943.db2.gz FLERQKNVNYVCLX-PMPSAXMXSA-N 1 1 333.432 0.417 20 30 ECEDMO CC(=O)N1CCN(C(=O)C[N@@H+](C)CCc2cccc(C#N)c2)CC1 ZINC000879435062 590311542 /nfs/dbraw/zinc/31/15/42/590311542.db2.gz VBIWSYGDFNSCAG-UHFFFAOYSA-N 1 1 328.416 0.723 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000875595897 590311780 /nfs/dbraw/zinc/31/17/80/590311780.db2.gz FHJSYWBXPQWYOQ-ZBFHGGJFSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000875596842 590312372 /nfs/dbraw/zinc/31/23/72/590312372.db2.gz UNTIAIGHYORFOR-OAGGEKHMSA-N 1 1 337.464 0.720 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879694402 590335192 /nfs/dbraw/zinc/33/51/92/590335192.db2.gz DNZFSLLMYSSJSN-XJADACSNSA-N 1 1 337.464 0.838 20 30 ECEDMO N#Cc1ccc(CNC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000880069414 590364959 /nfs/dbraw/zinc/36/49/59/590364959.db2.gz IZOROWIQZXMBQT-DLBZAZTESA-N 1 1 328.416 0.315 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000876851971 590419162 /nfs/dbraw/zinc/41/91/62/590419162.db2.gz QXUKZQURDLLQPM-AEFFLSMTSA-N 1 1 339.443 0.251 20 30 ECEDMO COCC[N@H+]1CCCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876875343 590421075 /nfs/dbraw/zinc/42/10/75/590421075.db2.gz SCCHJYJAVRNEPK-GOSISDBHSA-N 1 1 342.443 0.926 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000876908455 590425462 /nfs/dbraw/zinc/42/54/62/590425462.db2.gz OFOUDTCXKCHOPU-IRXDYDNUSA-N 1 1 339.395 0.952 20 30 ECEDMO CCO[C@@H]1CN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C[C@H]1C[NH3+] ZINC000876948019 590428659 /nfs/dbraw/zinc/42/86/59/590428659.db2.gz CSLFTGFMVWHKHU-OIISXLGYSA-N 1 1 328.416 0.567 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881003927 590430547 /nfs/dbraw/zinc/43/05/47/590430547.db2.gz HGTPZUOIWNDQRI-KRWDZBQOSA-N 1 1 348.451 0.597 20 30 ECEDMO Cc1nc(C#N)cc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000881808646 590475600 /nfs/dbraw/zinc/47/56/00/590475600.db2.gz XNINUKMDALLVEX-UHFFFAOYSA-N 1 1 328.420 0.647 20 30 ECEDMO COC(=O)CCN(CC#N)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000877708957 590478487 /nfs/dbraw/zinc/47/84/87/590478487.db2.gz AXOYKZAGFQKXHO-UHFFFAOYSA-N 1 1 332.408 0.117 20 30 ECEDMO C=CC[C@H](C)[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000877956528 590488713 /nfs/dbraw/zinc/48/87/13/590488713.db2.gz RKAWBJYYLJWLIO-KKUMJFAQSA-N 1 1 331.482 0.923 20 30 ECEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](CCn2cnnn2)CC1 ZINC000878020512 590492819 /nfs/dbraw/zinc/49/28/19/590492819.db2.gz MAHRSKGKKHBBSM-UHFFFAOYSA-N 1 1 334.387 0.915 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879083180 590563549 /nfs/dbraw/zinc/56/35/49/590563549.db2.gz HYHFBIGPNHPSGM-QWHCGFSZSA-N 1 1 327.425 0.284 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879083180 590563553 /nfs/dbraw/zinc/56/35/53/590563553.db2.gz HYHFBIGPNHPSGM-QWHCGFSZSA-N 1 1 327.425 0.284 20 30 ECEDMO C[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000130694085 590600892 /nfs/dbraw/zinc/60/08/92/590600892.db2.gz WQWVGQUCADGVGE-KRWDZBQOSA-N 1 1 333.480 0.766 20 30 ECEDMO CC[C@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)[NH+](CC)CC ZINC000885317959 590715224 /nfs/dbraw/zinc/71/52/24/590715224.db2.gz AEQLSQLOBQRYMZ-NFAWXSAZSA-N 1 1 327.450 0.504 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(OC)nc2OC)C1 ZINC000884365346 590813730 /nfs/dbraw/zinc/81/37/30/590813730.db2.gz HVGVHKWLZSRUQD-CQSZACIVSA-N 1 1 332.404 0.996 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(OC)nc2OC)C1 ZINC000884365346 590813735 /nfs/dbraw/zinc/81/37/35/590813735.db2.gz HVGVHKWLZSRUQD-CQSZACIVSA-N 1 1 332.404 0.996 20 30 ECEDMO C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000886353504 590834694 /nfs/dbraw/zinc/83/46/94/590834694.db2.gz KLWBCSFANRGCDS-RBSFLKMASA-N 1 1 326.462 0.756 20 30 ECEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000886353504 590834697 /nfs/dbraw/zinc/83/46/97/590834697.db2.gz KLWBCSFANRGCDS-RBSFLKMASA-N 1 1 326.462 0.756 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](CO)c2ccccc2C)CC1 ZINC000886433999 590843316 /nfs/dbraw/zinc/84/33/16/590843316.db2.gz ZJTVGFMOJFKABW-SFHVURJKSA-N 1 1 329.444 0.738 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@@H](CO)c2ccccc2C)CC1 ZINC000886433999 590843321 /nfs/dbraw/zinc/84/33/21/590843321.db2.gz ZJTVGFMOJFKABW-SFHVURJKSA-N 1 1 329.444 0.738 20 30 ECEDMO COC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000886852275 590892522 /nfs/dbraw/zinc/89/25/22/590892522.db2.gz DLRSSFPBVMMSQN-LSDHHAIUSA-N 1 1 333.388 0.923 20 30 ECEDMO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(CC#N)n3)C2)C1 ZINC000890297496 590959838 /nfs/dbraw/zinc/95/98/38/590959838.db2.gz TUGWAHOPIAYCQP-QGZVFWFLSA-N 1 1 327.388 0.640 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@](C)(C#N)C2)CC1=O ZINC000887677043 590990994 /nfs/dbraw/zinc/99/09/94/590990994.db2.gz PGAGDRSVNCKRFB-IIDMSEBBSA-N 1 1 348.447 0.460 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC000890361261 591150415 /nfs/dbraw/zinc/15/04/15/591150415.db2.gz MWMCFOFEMRICAZ-UWVGGRQHSA-N 1 1 343.296 0.942 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC000890361261 591150417 /nfs/dbraw/zinc/15/04/17/591150417.db2.gz MWMCFOFEMRICAZ-UWVGGRQHSA-N 1 1 343.296 0.942 20 30 ECEDMO CS(=O)(=O)N1CC(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000929986197 611375809 /nfs/dbraw/zinc/37/58/09/611375809.db2.gz IHIXDSKKAMAXOH-QGZVFWFLSA-N 1 1 348.472 0.760 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)nc3COC)CC[C@@H]2C1 ZINC000946651685 611389957 /nfs/dbraw/zinc/38/99/57/611389957.db2.gz CDMZVUDWQHYRDD-GASCZTMLSA-N 1 1 330.432 0.984 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(OCC(=O)NC)cc1 ZINC000930239398 611403862 /nfs/dbraw/zinc/40/38/62/611403862.db2.gz NQNSEYVIZXOZIS-UHFFFAOYSA-N 1 1 332.404 0.888 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCCNc1ccc(C)c[nH+]1)[C@H]1CCCO1 ZINC000930469535 611431158 /nfs/dbraw/zinc/43/11/58/611431158.db2.gz IFIHWYMYAQAFFP-UONOGXRCSA-N 1 1 330.388 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2oncc2C)CC1 ZINC000948154998 611447229 /nfs/dbraw/zinc/44/72/29/611447229.db2.gz NVIWWCZUBDDPOC-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2oncc2C)CC1 ZINC000948154998 611447233 /nfs/dbraw/zinc/44/72/33/611447233.db2.gz NVIWWCZUBDDPOC-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(C)n(CC(=O)NC)n2)C1 ZINC000930631789 611448894 /nfs/dbraw/zinc/44/88/94/611448894.db2.gz SULXTEDVGHBYAY-CYBMUJFWSA-N 1 1 332.408 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C)n(CC(=O)NC)n2)C1 ZINC000930631789 611448896 /nfs/dbraw/zinc/44/88/96/611448896.db2.gz SULXTEDVGHBYAY-CYBMUJFWSA-N 1 1 332.408 0.157 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947174412 611449062 /nfs/dbraw/zinc/44/90/62/611449062.db2.gz KWTDJMIOYAWNJO-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000946796561 611485618 /nfs/dbraw/zinc/48/56/18/611485618.db2.gz LSFPUSHYUTUZSO-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000931143110 611510503 /nfs/dbraw/zinc/51/05/03/611510503.db2.gz NVJSQAUCCDQWQG-UHFFFAOYSA-N 1 1 343.427 0.351 20 30 ECEDMO N#CC1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCSCC1 ZINC000931582731 611551398 /nfs/dbraw/zinc/55/13/98/611551398.db2.gz AHFDXOZQIMYABL-CYBMUJFWSA-N 1 1 338.477 0.727 20 30 ECEDMO COC1(OC)CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1O ZINC000931641832 611560328 /nfs/dbraw/zinc/56/03/28/611560328.db2.gz JCNXGCNULYMJRP-VNHYZAJKSA-N 1 1 327.425 0.485 20 30 ECEDMO COC1(OC)CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1O ZINC000931641832 611560332 /nfs/dbraw/zinc/56/03/32/611560332.db2.gz JCNXGCNULYMJRP-VNHYZAJKSA-N 1 1 327.425 0.485 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2nc3ncc(C)cn3n2)CC1 ZINC000948467721 611610651 /nfs/dbraw/zinc/61/06/51/611610651.db2.gz WMQDUFOTWORDRX-AWEZNQCLSA-N 1 1 326.404 0.992 20 30 ECEDMO C#CC[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C(C)(C)C ZINC000932462168 611629630 /nfs/dbraw/zinc/62/96/30/611629630.db2.gz QAKJGSZZWIZAIK-UHFFFAOYSA-N 1 1 329.466 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000937333853 608594029 /nfs/dbraw/zinc/59/40/29/608594029.db2.gz AUKSEUAUBJSBOY-KBPBESRZSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000937333853 608594033 /nfs/dbraw/zinc/59/40/33/608594033.db2.gz AUKSEUAUBJSBOY-KBPBESRZSA-N 1 1 329.404 0.180 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C ZINC000947369844 608601252 /nfs/dbraw/zinc/60/12/52/608601252.db2.gz QAONJTGXKDEALI-KBPBESRZSA-N 1 1 334.420 0.092 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000937344007 608606618 /nfs/dbraw/zinc/60/66/18/608606618.db2.gz UXJSYYJTYKZUSX-HOTGVXAUSA-N 1 1 347.459 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000937344007 608606621 /nfs/dbraw/zinc/60/66/21/608606621.db2.gz UXJSYYJTYKZUSX-HOTGVXAUSA-N 1 1 347.459 0.448 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 ZINC000949346333 608647348 /nfs/dbraw/zinc/64/73/48/608647348.db2.gz ADFIUWHOMIFRNW-UHFFFAOYSA-N 1 1 333.388 0.309 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 ZINC000949346333 608647351 /nfs/dbraw/zinc/64/73/51/608647351.db2.gz ADFIUWHOMIFRNW-UHFFFAOYSA-N 1 1 333.388 0.309 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC000949352475 608649099 /nfs/dbraw/zinc/64/90/99/608649099.db2.gz WRFKZTSJONXLJU-UHFFFAOYSA-N 1 1 328.416 0.736 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC000949352475 608649103 /nfs/dbraw/zinc/64/91/03/608649103.db2.gz WRFKZTSJONXLJU-UHFFFAOYSA-N 1 1 328.416 0.736 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)cn3)CC2)C1 ZINC000949418873 608672896 /nfs/dbraw/zinc/67/28/96/608672896.db2.gz IIGHNRQVPNVRCY-UHFFFAOYSA-N 1 1 344.415 0.111 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)cn3)CC2)C1 ZINC000949418873 608672899 /nfs/dbraw/zinc/67/28/99/608672899.db2.gz IIGHNRQVPNVRCY-UHFFFAOYSA-N 1 1 344.415 0.111 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cscn2)C1 ZINC000936884188 608680676 /nfs/dbraw/zinc/68/06/76/608680676.db2.gz GVHFRNFQGBNBGV-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cscn2)C1 ZINC000936884188 608680679 /nfs/dbraw/zinc/68/06/79/608680679.db2.gz GVHFRNFQGBNBGV-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC000936890199 608695237 /nfs/dbraw/zinc/69/52/37/608695237.db2.gz ATVLLQPTCVTYGN-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC000936890199 608695238 /nfs/dbraw/zinc/69/52/38/608695238.db2.gz ATVLLQPTCVTYGN-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000948562024 611655018 /nfs/dbraw/zinc/65/50/18/611655018.db2.gz PHQCUQXASLGUTH-CABCVRRESA-N 1 1 345.447 0.882 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C2)nn1 ZINC000947792319 608741519 /nfs/dbraw/zinc/74/15/19/608741519.db2.gz KWMAPNKPJQNYAP-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](Cc3nc(C)no3)C2)CC1 ZINC000933575545 608762601 /nfs/dbraw/zinc/76/26/01/608762601.db2.gz NGPDFIMZKUGARR-INIZCTEOSA-N 1 1 345.447 0.410 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](Cc3nc(C)no3)C2)CC1 ZINC000933575545 608762603 /nfs/dbraw/zinc/76/26/03/608762603.db2.gz NGPDFIMZKUGARR-INIZCTEOSA-N 1 1 345.447 0.410 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cn(C)cn2)CC1 ZINC000947229603 608792929 /nfs/dbraw/zinc/79/29/29/608792929.db2.gz FLWUVJYRQIQDRE-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cn(C)cn2)CC1 ZINC000947229603 608792932 /nfs/dbraw/zinc/79/29/32/608792932.db2.gz FLWUVJYRQIQDRE-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C ZINC000947797189 608807632 /nfs/dbraw/zinc/80/76/32/608807632.db2.gz ZJVPCGVFQDLUBF-ZIAGYGMSSA-N 1 1 334.424 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ocnc2C)CC1 ZINC000947230497 608821114 /nfs/dbraw/zinc/82/11/14/608821114.db2.gz TZTOEMCXUFAWOW-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ocnc2C)CC1 ZINC000947230497 608821117 /nfs/dbraw/zinc/82/11/17/608821117.db2.gz TZTOEMCXUFAWOW-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000936595247 608843841 /nfs/dbraw/zinc/84/38/41/608843841.db2.gz MONSMVLYKREEKS-ZBFHGGJFSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000936595247 608843844 /nfs/dbraw/zinc/84/38/44/608843844.db2.gz MONSMVLYKREEKS-ZBFHGGJFSA-N 1 1 328.416 0.785 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC000936910728 608865473 /nfs/dbraw/zinc/86/54/73/608865473.db2.gz KMAMZCWBQMNNDC-UKRRQHHQSA-N 1 1 346.435 0.231 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C[C@H]1C ZINC000947547453 608885267 /nfs/dbraw/zinc/88/52/67/608885267.db2.gz RFFIRNLKYNQFBC-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cnnn1C ZINC000947204459 608917618 /nfs/dbraw/zinc/91/76/18/608917618.db2.gz DHKOGYFAGGVEMD-DGCLKSJQSA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cnnn1C ZINC000947204459 608917619 /nfs/dbraw/zinc/91/76/19/608917619.db2.gz DHKOGYFAGGVEMD-DGCLKSJQSA-N 1 1 327.392 0.798 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 ZINC000085543423 608931194 /nfs/dbraw/zinc/93/11/94/608931194.db2.gz HPJNGCBTVBSVPR-KRWDZBQOSA-N 1 1 344.415 0.788 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 ZINC000085543423 608931196 /nfs/dbraw/zinc/93/11/96/608931196.db2.gz HPJNGCBTVBSVPR-KRWDZBQOSA-N 1 1 344.415 0.788 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000937053249 608935659 /nfs/dbraw/zinc/93/56/59/608935659.db2.gz ATXZLYRMSMCXED-BPLDGKMQSA-N 1 1 343.431 0.899 20 30 ECEDMO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937065178 608945856 /nfs/dbraw/zinc/94/58/56/608945856.db2.gz OZPHBCNLUOLKAM-ZDUSSCGKSA-N 1 1 326.360 0.525 20 30 ECEDMO C[NH+]1CCN([C@@H](CNC(=O)NCC#CCO)c2cccs2)CC1 ZINC000923788326 608971717 /nfs/dbraw/zinc/97/17/17/608971717.db2.gz JMINJTPFNHYKKZ-AWEZNQCLSA-N 1 1 336.461 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000937154824 609004762 /nfs/dbraw/zinc/00/47/62/609004762.db2.gz SDOJQNCFANIKMJ-SJORKVTESA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000937154824 609004765 /nfs/dbraw/zinc/00/47/65/609004765.db2.gz SDOJQNCFANIKMJ-SJORKVTESA-N 1 1 342.443 0.796 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937181377 609020495 /nfs/dbraw/zinc/02/04/95/609020495.db2.gz LUGZCGYTEPWVGT-CQSZACIVSA-N 1 1 340.387 0.764 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937197502 609034215 /nfs/dbraw/zinc/03/42/15/609034215.db2.gz IGFNOAQZZGAYOS-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1=O ZINC000948634426 611674075 /nfs/dbraw/zinc/67/40/75/611674075.db2.gz ZYKCBMIBRLIQMV-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[NH+]1CCC2(CC1)CN(C(=O)c1cn(C)c(C)cc1=O)CCO2 ZINC000949117939 609059720 /nfs/dbraw/zinc/05/97/20/609059720.db2.gz ADTXOGVOQVMEEY-UHFFFAOYSA-N 1 1 343.427 0.634 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)C1CCC1 ZINC000937795414 609089005 /nfs/dbraw/zinc/08/90/05/609089005.db2.gz AJAJIVINTZDSLS-ZDUSSCGKSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@@H](C)C2)nn1 ZINC000947792560 611692507 /nfs/dbraw/zinc/69/25/07/611692507.db2.gz OLRHEZHRDSAYCQ-STQMWFEESA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@@H](C)C2)nn1 ZINC000947792560 611692510 /nfs/dbraw/zinc/69/25/10/611692510.db2.gz OLRHEZHRDSAYCQ-STQMWFEESA-N 1 1 344.423 0.376 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)c1 ZINC000937984217 609438760 /nfs/dbraw/zinc/43/87/60/609438760.db2.gz NBHUSTPOYQHCCM-INIZCTEOSA-N 1 1 337.383 0.599 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000937971582 609443221 /nfs/dbraw/zinc/44/32/21/609443221.db2.gz YNXGYZOZJHSQAJ-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncoc2CC)C1 ZINC000938170281 609481915 /nfs/dbraw/zinc/48/19/15/609481915.db2.gz GBSUONCTOFNDSK-KBPBESRZSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncoc2CC)C1 ZINC000938170281 609481918 /nfs/dbraw/zinc/48/19/18/609481918.db2.gz GBSUONCTOFNDSK-KBPBESRZSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000938170730 609482413 /nfs/dbraw/zinc/48/24/13/609482413.db2.gz MRETUOWPLUKBTO-HOTGVXAUSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000938170730 609482417 /nfs/dbraw/zinc/48/24/17/609482417.db2.gz MRETUOWPLUKBTO-HOTGVXAUSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nccs2)C1 ZINC000938171236 609483990 /nfs/dbraw/zinc/48/39/90/609483990.db2.gz ZKCQGVGTQQDLOB-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nccs2)C1 ZINC000938171236 609483991 /nfs/dbraw/zinc/48/39/91/609483991.db2.gz ZKCQGVGTQQDLOB-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cccn2)C1 ZINC000938172592 609485584 /nfs/dbraw/zinc/48/55/84/609485584.db2.gz YBLFCXBLSLKYON-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cccn2)C1 ZINC000938172592 609485585 /nfs/dbraw/zinc/48/55/85/609485585.db2.gz YBLFCXBLSLKYON-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000938173859 609486321 /nfs/dbraw/zinc/48/63/21/609486321.db2.gz YOXRLRGTWSKKSH-TWMKSMIVSA-N 1 1 346.475 0.141 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000938183629 609496229 /nfs/dbraw/zinc/49/62/29/609496229.db2.gz LYSFKDMSYHFMGL-QLFBSQMISA-N 1 1 335.448 0.779 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000938183629 609496232 /nfs/dbraw/zinc/49/62/32/609496232.db2.gz LYSFKDMSYHFMGL-QLFBSQMISA-N 1 1 335.448 0.779 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000908006968 609635320 /nfs/dbraw/zinc/63/53/20/609635320.db2.gz JLGGXOPKKKDOAH-GJZGRUSLSA-N 1 1 341.477 0.931 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccsc1C#N)[C@H]1C[N@H+](C)CCN1C ZINC000919979953 609667822 /nfs/dbraw/zinc/66/78/22/609667822.db2.gz AKTUSDFKGMJAQJ-GHMZBOCLSA-N 1 1 328.463 0.532 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccsc1C#N)[C@H]1C[N@@H+](C)CCN1C ZINC000919979953 609667823 /nfs/dbraw/zinc/66/78/23/609667823.db2.gz AKTUSDFKGMJAQJ-GHMZBOCLSA-N 1 1 328.463 0.532 20 30 ECEDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CC1(C#N)CC1)C2 ZINC000920276345 609678241 /nfs/dbraw/zinc/67/82/41/609678241.db2.gz WKZRCWOCBRLMLT-NYTXWWLZSA-N 1 1 341.477 0.689 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913553662 609694589 /nfs/dbraw/zinc/69/45/89/609694589.db2.gz MRHLHOFWPZHYQU-HNNXBMFYSA-N 1 1 333.436 0.481 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913553662 609694590 /nfs/dbraw/zinc/69/45/90/609694590.db2.gz MRHLHOFWPZHYQU-HNNXBMFYSA-N 1 1 333.436 0.481 20 30 ECEDMO CN(C(=O)C(N)=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000948736880 611707783 /nfs/dbraw/zinc/70/77/83/611707783.db2.gz CIDBAXUSGHZGMI-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cncc(C(=O)OC)c2)CC1 ZINC000921437837 609716736 /nfs/dbraw/zinc/71/67/36/609716736.db2.gz IEEQQUSORYNSKG-UHFFFAOYSA-N 1 1 337.401 0.244 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)C[C@H]1C ZINC000947761872 609734477 /nfs/dbraw/zinc/73/44/77/609734477.db2.gz RHWJPVHGQORCNY-HIFRSBDPSA-N 1 1 326.462 0.804 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000938372219 609758894 /nfs/dbraw/zinc/75/88/94/609758894.db2.gz ASJXXLYDXRRNPI-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCCn2ccc(C(=O)OC)n2)C1 ZINC000923595664 609801574 /nfs/dbraw/zinc/80/15/74/609801574.db2.gz MGKZRVXRWBRVBJ-AWEZNQCLSA-N 1 1 332.404 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCn2ccc(C(=O)OC)n2)C1 ZINC000923595664 609801576 /nfs/dbraw/zinc/80/15/76/609801576.db2.gz MGKZRVXRWBRVBJ-AWEZNQCLSA-N 1 1 332.404 0.664 20 30 ECEDMO COC[C@@H]1CC[C@@H]([C@H]2COCC[N@@H+]2CCC(=O)N(C)CCC#N)O1 ZINC000933194252 611714425 /nfs/dbraw/zinc/71/44/25/611714425.db2.gz BUJFPKIXVRFKOR-XHSDSOJGSA-N 1 1 339.436 0.643 20 30 ECEDMO COC[C@@H]1CC[C@@H]([C@H]2COCC[N@H+]2CCC(=O)N(C)CCC#N)O1 ZINC000933194252 611714427 /nfs/dbraw/zinc/71/44/27/611714427.db2.gz BUJFPKIXVRFKOR-XHSDSOJGSA-N 1 1 339.436 0.643 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000914022472 609844757 /nfs/dbraw/zinc/84/47/57/609844757.db2.gz WIQFTEOQHZCYCV-SFHVURJKSA-N 1 1 344.459 0.617 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000938539257 609857136 /nfs/dbraw/zinc/85/71/36/609857136.db2.gz GICQRHYQAVRSDD-KBPBESRZSA-N 1 1 329.404 0.511 20 30 ECEDMO CC(C)(C#N)CS(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000914329593 609877809 /nfs/dbraw/zinc/87/78/09/609877809.db2.gz WOPFPUJRRCCXOU-UHFFFAOYSA-N 1 1 345.465 0.025 20 30 ECEDMO C#CCN1CCC(NC(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000916323239 609936966 /nfs/dbraw/zinc/93/69/66/609936966.db2.gz HISRTIPIFQTBJW-UHFFFAOYSA-N 1 1 336.480 0.884 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000938695631 609946048 /nfs/dbraw/zinc/94/60/48/609946048.db2.gz YRNNVIWCOSAQHO-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000938695631 609946049 /nfs/dbraw/zinc/94/60/49/609946049.db2.gz YRNNVIWCOSAQHO-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@@H](C)N1CC#N ZINC000916843259 609951295 /nfs/dbraw/zinc/95/12/95/609951295.db2.gz UNNRDZSDMLIZDZ-KLHDSHLOSA-N 1 1 335.452 0.477 20 30 ECEDMO N#CCc1ccc(CS(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000917065960 609960404 /nfs/dbraw/zinc/96/04/04/609960404.db2.gz CXTNZIOXXOIJSK-KRWDZBQOSA-N 1 1 348.472 0.562 20 30 ECEDMO N#CCc1ccc(CS(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000917065960 609960405 /nfs/dbraw/zinc/96/04/05/609960405.db2.gz CXTNZIOXXOIJSK-KRWDZBQOSA-N 1 1 348.472 0.562 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938904016 610036656 /nfs/dbraw/zinc/03/66/56/610036656.db2.gz WXSMXVKGAPVIEI-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnn(CC)n3)C2)c1 ZINC000939108844 610083696 /nfs/dbraw/zinc/08/36/96/610083696.db2.gz WCGYPJFWILOVDB-CXAGYDPISA-N 1 1 338.415 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccccn2)C1 ZINC000939109638 610084962 /nfs/dbraw/zinc/08/49/62/610084962.db2.gz ONTJZHXWNNMSFK-ZBFHGGJFSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccccn2)C1 ZINC000939109638 610084964 /nfs/dbraw/zinc/08/49/64/610084964.db2.gz ONTJZHXWNNMSFK-ZBFHGGJFSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnn(CC)c2)C1 ZINC000939775414 610128464 /nfs/dbraw/zinc/12/84/64/610128464.db2.gz DKOYELMNLVWFRB-CVEARBPZSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnn(CC)c2)C1 ZINC000939775414 610128465 /nfs/dbraw/zinc/12/84/65/610128465.db2.gz DKOYELMNLVWFRB-CVEARBPZSA-N 1 1 343.431 0.331 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000939406537 610192824 /nfs/dbraw/zinc/19/28/24/610192824.db2.gz QVRYKDDGARAIDL-NEPJUHHUSA-N 1 1 333.392 0.569 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)c[nH]1 ZINC000940095527 610206927 /nfs/dbraw/zinc/20/69/27/610206927.db2.gz SBATUZYNKMEVDZ-MRVWCRGKSA-N 1 1 338.371 0.744 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC000939560362 610235674 /nfs/dbraw/zinc/23/56/74/610235674.db2.gz OWQRKNZFHPVBEW-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnon2)C1 ZINC000939561468 610236265 /nfs/dbraw/zinc/23/62/65/610236265.db2.gz MUBDJRXLMKJPEY-IUODEOHRSA-N 1 1 341.371 0.727 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC000939615274 610252509 /nfs/dbraw/zinc/25/25/09/610252509.db2.gz IMCITAWCPYDBLH-RHSMWYFYSA-N 1 1 337.427 0.976 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCc3ccnn3C)CC2)C1 ZINC000941427118 610300966 /nfs/dbraw/zinc/30/09/66/610300966.db2.gz PWVWYXMQNANLPL-UHFFFAOYSA-N 1 1 331.464 0.757 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3ccn(CC)n3)CC2)C1 ZINC000941416517 610304322 /nfs/dbraw/zinc/30/43/22/610304322.db2.gz CKGIYWVOIFBNNE-UHFFFAOYSA-N 1 1 329.448 0.297 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC000941423437 610308119 /nfs/dbraw/zinc/30/81/19/610308119.db2.gz YQJYSLXMTSBAHZ-OAHLLOKOSA-N 1 1 334.464 0.258 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941437159 610315030 /nfs/dbraw/zinc/31/50/30/610315030.db2.gz UNOUOIYJRNJBRH-OAHLLOKOSA-N 1 1 328.420 0.112 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3cnccc3C)CC2)C1 ZINC000941440479 610316314 /nfs/dbraw/zinc/31/63/14/610316314.db2.gz JYTVMMWNNDOQBX-UHFFFAOYSA-N 1 1 326.444 0.784 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4cc(C)nc4C3)CC2)C1 ZINC000941456484 610318782 /nfs/dbraw/zinc/31/87/82/610318782.db2.gz QFNBTQHYXSZVAW-INIZCTEOSA-N 1 1 343.475 0.768 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(C)nnc3CC)CC2)C1 ZINC000941463442 610321749 /nfs/dbraw/zinc/32/17/49/610321749.db2.gz WLUYHKBECMJUOE-UHFFFAOYSA-N 1 1 341.459 0.813 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940659346 610326873 /nfs/dbraw/zinc/32/68/73/610326873.db2.gz WWHMKGKELAXHHJ-AWEZNQCLSA-N 1 1 331.420 0.805 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940685695 610335277 /nfs/dbraw/zinc/33/52/77/610335277.db2.gz GLBVZLQVYDJOHN-CABCVRRESA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](OC)[C@H]3CCOC3)CC2)C1 ZINC000941501350 610345407 /nfs/dbraw/zinc/34/54/07/610345407.db2.gz APPRXTCNCITBFT-DOTOQJQBSA-N 1 1 337.464 0.442 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)C1 ZINC000941506338 610348090 /nfs/dbraw/zinc/34/80/90/610348090.db2.gz IVXVDPDIUGCWHN-UHFFFAOYSA-N 1 1 345.491 0.984 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn(CCOC)nn2)C(C)(C)C1 ZINC000940733560 610349820 /nfs/dbraw/zinc/34/98/20/610349820.db2.gz RSGLCBDXDRTTAS-HNNXBMFYSA-N 1 1 333.436 0.778 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3ccc(C)n3)CC2)C1 ZINC000941513692 610352839 /nfs/dbraw/zinc/35/28/39/610352839.db2.gz NUDDRATVCAAVQV-QGZVFWFLSA-N 1 1 343.475 0.994 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C2C[NH+](CCn3cncn3)C2)CC1 ZINC000941516056 610353704 /nfs/dbraw/zinc/35/37/04/610353704.db2.gz JUYSTTHQBWQRIV-UHFFFAOYSA-N 1 1 332.452 0.319 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C3CN(CC#N)C3)CC2)C1 ZINC000941532194 610363888 /nfs/dbraw/zinc/36/38/88/610363888.db2.gz RLWDJRPCEGLALV-INIZCTEOSA-N 1 1 333.480 0.460 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000940794306 610376343 /nfs/dbraw/zinc/37/63/43/610376343.db2.gz QIWFDLHDJATTDU-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000940794306 610376344 /nfs/dbraw/zinc/37/63/44/610376344.db2.gz QIWFDLHDJATTDU-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000940812667 610386458 /nfs/dbraw/zinc/38/64/58/610386458.db2.gz PVBBSXAXEZJEIV-AWEZNQCLSA-N 1 1 343.431 0.903 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CCc3cn(C)nc3C)CC2)C1 ZINC000941593948 610389083 /nfs/dbraw/zinc/38/90/83/610389083.db2.gz YRNWUHPAISTGSL-UHFFFAOYSA-N 1 1 331.464 0.676 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000940850892 610406350 /nfs/dbraw/zinc/40/63/50/610406350.db2.gz PDWJWJFIFAMERU-CQSZACIVSA-N 1 1 335.452 0.765 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)C1 ZINC000941661984 610433139 /nfs/dbraw/zinc/43/31/39/610433139.db2.gz PMAICBKQQMQQME-UHFFFAOYSA-N 1 1 331.464 0.974 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](C)C1 ZINC000942393837 610433732 /nfs/dbraw/zinc/43/37/32/610433732.db2.gz PGUOMQXIHDNKNU-UONOGXRCSA-N 1 1 334.420 0.516 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C(C)(C)C1 ZINC000940918162 610440275 /nfs/dbraw/zinc/44/02/75/610440275.db2.gz MODDGLHVFFVYGN-BBWFWOEESA-N 1 1 349.475 0.862 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn(CCOC)c3)CC2)C1 ZINC000941653496 610443217 /nfs/dbraw/zinc/44/32/17/610443217.db2.gz WLPFLPKNPJLHDB-UHFFFAOYSA-N 1 1 333.436 0.158 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000942451647 610466408 /nfs/dbraw/zinc/46/64/08/610466408.db2.gz NTXAGHPWFUFJJU-NCOADZHNSA-N 1 1 345.443 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000942451647 610466409 /nfs/dbraw/zinc/46/64/09/610466409.db2.gz NTXAGHPWFUFJJU-NCOADZHNSA-N 1 1 345.443 0.392 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H](C)C1 ZINC000942527295 610499376 /nfs/dbraw/zinc/49/93/76/610499376.db2.gz KFEOJDSCSHDVIN-DGCLKSJQSA-N 1 1 327.388 0.404 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](C)C1 ZINC000942529438 610500873 /nfs/dbraw/zinc/50/08/73/610500873.db2.gz KKMQQUMCRCBUJC-GXTWGEPZSA-N 1 1 327.392 0.684 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@@H](C)C1 ZINC000942557656 610510899 /nfs/dbraw/zinc/51/08/99/610510899.db2.gz KTEQOCCBDDIWPM-LSDHHAIUSA-N 1 1 330.436 0.792 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942592103 610526867 /nfs/dbraw/zinc/52/68/67/610526867.db2.gz SOQZKHIIAMBETL-FZMZJTMJSA-N 1 1 330.388 0.379 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC2(C)C)nn1 ZINC000941085642 610529275 /nfs/dbraw/zinc/52/92/75/610529275.db2.gz SAKUCYAQUOLVFR-CQSZACIVSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)CC2(C)C)nn1 ZINC000941085642 610529277 /nfs/dbraw/zinc/52/92/77/610529277.db2.gz SAKUCYAQUOLVFR-CQSZACIVSA-N 1 1 348.451 0.383 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000941102745 610537669 /nfs/dbraw/zinc/53/76/69/610537669.db2.gz REWGKXJIVHHKJA-MRXNPFEDSA-N 1 1 340.427 0.689 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc1 ZINC000941881991 610540584 /nfs/dbraw/zinc/54/05/84/610540584.db2.gz OGXNAKGKLSTYBR-GDBMZVCRSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2cocn2)C1 ZINC000942711863 610564240 /nfs/dbraw/zinc/56/42/40/610564240.db2.gz SCKTZFLTCSTQLW-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2cocn2)C1 ZINC000942711863 610564241 /nfs/dbraw/zinc/56/42/41/610564241.db2.gz SCKTZFLTCSTQLW-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000941164595 610571834 /nfs/dbraw/zinc/57/18/34/610571834.db2.gz VTWDLOOSJRWTMK-ZDUSSCGKSA-N 1 1 342.403 0.271 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000941190533 610585375 /nfs/dbraw/zinc/58/53/75/610585375.db2.gz DIVKZFXZJYRGGZ-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)C1 ZINC000941205921 610596302 /nfs/dbraw/zinc/59/63/02/610596302.db2.gz FVFRDRANSMHLMB-LBPRGKRZSA-N 1 1 329.404 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC000941238271 610621993 /nfs/dbraw/zinc/62/19/93/610621993.db2.gz XCRQOVOUGLOAQY-OAGGEKHMSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC000941238271 610621994 /nfs/dbraw/zinc/62/19/94/610621994.db2.gz XCRQOVOUGLOAQY-OAGGEKHMSA-N 1 1 343.431 0.259 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](C)C1 ZINC000942061039 610637760 /nfs/dbraw/zinc/63/77/60/610637760.db2.gz HVRSKAJFXFIRND-QWHCGFSZSA-N 1 1 334.424 0.170 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](C)C1 ZINC000942893537 610669827 /nfs/dbraw/zinc/66/98/27/610669827.db2.gz KNQCPFFXQNUKPR-DZGCQCFKSA-N 1 1 328.416 0.952 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H](C)C1 ZINC000942175254 610686145 /nfs/dbraw/zinc/68/61/45/610686145.db2.gz HMLCUOBZAWRVES-DZGCQCFKSA-N 1 1 338.473 0.661 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H](C)C1 ZINC000942179898 610689183 /nfs/dbraw/zinc/68/91/83/610689183.db2.gz DJDAXGQWHZFXGU-HIFRSBDPSA-N 1 1 328.416 0.573 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000942196193 610692098 /nfs/dbraw/zinc/69/20/98/610692098.db2.gz OPQCZTBZXGNBDD-AAEUAGOBSA-N 1 1 339.417 0.391 20 30 ECEDMO C[C@H]1CC[C@@H](C[NH+]2CC(N3CCN(C(=O)C#CC4CC4)CC3)C2)O1 ZINC000941406661 610722038 /nfs/dbraw/zinc/72/20/38/610722038.db2.gz DIHQWFARBLCXJB-YJBOKZPZSA-N 1 1 331.460 0.796 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CCc3cnn(C)c3C)CC2)C1 ZINC000941424629 610724789 /nfs/dbraw/zinc/72/47/89/610724789.db2.gz UEDRRLWALUZRCJ-UHFFFAOYSA-N 1 1 331.464 0.676 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H](C)C1 ZINC000944134323 610751126 /nfs/dbraw/zinc/75/11/26/610751126.db2.gz CRBRXRRAKIWNLD-GHMZBOCLSA-N 1 1 334.376 0.360 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@@H](C)C1 ZINC000944134325 610751407 /nfs/dbraw/zinc/75/14/07/610751407.db2.gz CRBRXRRAKIWNLD-QWRGUYRKSA-N 1 1 334.376 0.360 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 ZINC000944136106 610752320 /nfs/dbraw/zinc/75/23/20/610752320.db2.gz RRYWLWHWJUKCHJ-ZIAGYGMSSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000944214444 610786973 /nfs/dbraw/zinc/78/69/73/610786973.db2.gz JCDCKODHBYAZFD-NRKLIOEPSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000944214444 610786974 /nfs/dbraw/zinc/78/69/74/610786974.db2.gz JCDCKODHBYAZFD-NRKLIOEPSA-N 1 1 345.443 0.084 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 ZINC000944790272 610787585 /nfs/dbraw/zinc/78/75/85/610787585.db2.gz PBEMGUJBLLHPKF-ZYHUDNBSSA-N 1 1 342.827 0.460 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 ZINC000944790272 610787587 /nfs/dbraw/zinc/78/75/87/610787587.db2.gz PBEMGUJBLLHPKF-ZYHUDNBSSA-N 1 1 342.827 0.460 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H](C)C1 ZINC000944810578 610794893 /nfs/dbraw/zinc/79/48/93/610794893.db2.gz JEOAUSYBXIUUTB-KOLCDFICSA-N 1 1 337.811 0.768 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H](C)C1 ZINC000944810578 610794894 /nfs/dbraw/zinc/79/48/94/610794894.db2.gz JEOAUSYBXIUUTB-KOLCDFICSA-N 1 1 337.811 0.768 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@H](C)C1 ZINC000944919042 610839856 /nfs/dbraw/zinc/83/98/56/610839856.db2.gz MGXPSZXNPHIGFV-ZIAGYGMSSA-N 1 1 326.404 0.517 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)C1 ZINC000944932508 610848557 /nfs/dbraw/zinc/84/85/57/610848557.db2.gz ZSVUQBPUURFDFA-MRXNPFEDSA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)C1 ZINC000944932508 610848559 /nfs/dbraw/zinc/84/85/59/610848559.db2.gz ZSVUQBPUURFDFA-MRXNPFEDSA-N 1 1 345.443 0.181 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000944414938 610857853 /nfs/dbraw/zinc/85/78/53/610857853.db2.gz PQHDLXHDXYKDRW-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000944414938 610857855 /nfs/dbraw/zinc/85/78/55/610857855.db2.gz PQHDLXHDXYKDRW-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)[C@@H](C)C1 ZINC000943499230 610884692 /nfs/dbraw/zinc/88/46/92/610884692.db2.gz SBCOOVWBIJNJMP-UWVGGRQHSA-N 1 1 329.326 0.907 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000945030347 610887062 /nfs/dbraw/zinc/88/70/62/610887062.db2.gz JIJKQCZKMXSTIF-LSDHHAIUSA-N 1 1 332.448 0.939 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 ZINC000944493558 610896587 /nfs/dbraw/zinc/89/65/87/610896587.db2.gz VTHVVWKNZZQPDL-GWCFXTLKSA-N 1 1 341.843 0.469 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 ZINC000944493558 610896590 /nfs/dbraw/zinc/89/65/90/610896590.db2.gz VTHVVWKNZZQPDL-GWCFXTLKSA-N 1 1 341.843 0.469 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCOC2)CC1 ZINC000943646764 610927255 /nfs/dbraw/zinc/92/72/55/610927255.db2.gz WPLKLWTWQVBGIT-QAETUUGQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCOC2)CC1 ZINC000943646764 610927256 /nfs/dbraw/zinc/92/72/56/610927256.db2.gz WPLKLWTWQVBGIT-QAETUUGQSA-N 1 1 347.459 0.664 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H](C)C1 ZINC000943647740 610928120 /nfs/dbraw/zinc/92/81/20/610928120.db2.gz QTVQGDJZJXNDTH-FZMZJTMJSA-N 1 1 329.404 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000943957073 611056343 /nfs/dbraw/zinc/05/63/43/611056343.db2.gz YIMZDWQMSOUYBL-JKSUJKDBSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000943957073 611056345 /nfs/dbraw/zinc/05/63/45/611056345.db2.gz YIMZDWQMSOUYBL-JKSUJKDBSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cc2ccon2)CC1 ZINC000945565774 611070998 /nfs/dbraw/zinc/07/09/98/611070998.db2.gz JLSJISXWBOZNHQ-INIZCTEOSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cc2ccon2)CC1 ZINC000945565774 611071000 /nfs/dbraw/zinc/07/10/00/611071000.db2.gz JLSJISXWBOZNHQ-INIZCTEOSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000944007096 611079087 /nfs/dbraw/zinc/07/90/87/611079087.db2.gz XTJUNPCPWRPRTQ-KGLIPLIRSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000944007096 611079088 /nfs/dbraw/zinc/07/90/88/611079088.db2.gz XTJUNPCPWRPRTQ-KGLIPLIRSA-N 1 1 329.404 0.228 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000944029769 611090609 /nfs/dbraw/zinc/09/06/09/611090609.db2.gz YPJNWIKAJKEVOM-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)CC[C@@H]2C1 ZINC000946859192 611202359 /nfs/dbraw/zinc/20/23/59/611202359.db2.gz NOFSBGBXDPLXAB-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)CC[C@@H]2C1 ZINC000946859192 611202360 /nfs/dbraw/zinc/20/23/60/611202360.db2.gz NOFSBGBXDPLXAB-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)CC[C@@H]2C1 ZINC000946859192 611202362 /nfs/dbraw/zinc/20/23/62/611202362.db2.gz NOFSBGBXDPLXAB-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)CC[C@@H]2C1 ZINC000946859192 611202364 /nfs/dbraw/zinc/20/23/64/611202364.db2.gz NOFSBGBXDPLXAB-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)CC[C@@H]2C1 ZINC000946859192 611202366 /nfs/dbraw/zinc/20/23/66/611202366.db2.gz NOFSBGBXDPLXAB-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC[C@@H]2C1 ZINC000946884478 611224681 /nfs/dbraw/zinc/22/46/81/611224681.db2.gz CJFBTVJZVODBPS-ZNMIVQPWSA-N 1 1 348.447 0.721 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)CC[C@@H]2C1 ZINC000946890343 611230203 /nfs/dbraw/zinc/23/02/03/611230203.db2.gz RGOZLGLTXNJNFY-BETUJISGSA-N 1 1 332.404 0.456 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)CC[C@@H]2C1 ZINC000946899818 611241519 /nfs/dbraw/zinc/24/15/19/611241519.db2.gz QJLUFLVINQQUEK-IXDOHACOSA-N 1 1 341.459 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccnc(N3CCOCC3)n2)C1 ZINC000923549573 611260076 /nfs/dbraw/zinc/26/00/76/611260076.db2.gz MMBBKLXOLQZPOG-AWEZNQCLSA-N 1 1 329.404 0.141 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccnc(N3CCOCC3)n2)C1 ZINC000923549573 611260078 /nfs/dbraw/zinc/26/00/78/611260078.db2.gz MMBBKLXOLQZPOG-AWEZNQCLSA-N 1 1 329.404 0.141 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC000923565793 611264218 /nfs/dbraw/zinc/26/42/18/611264218.db2.gz LCYZBICQVGIXSR-VXGBXAGGSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC000923565793 611264220 /nfs/dbraw/zinc/26/42/20/611264220.db2.gz LCYZBICQVGIXSR-VXGBXAGGSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000923578249 611266834 /nfs/dbraw/zinc/26/68/34/611266834.db2.gz AQOOKVGTPMXUOI-CQSZACIVSA-N 1 1 335.429 0.090 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000923578249 611266836 /nfs/dbraw/zinc/26/68/36/611266836.db2.gz AQOOKVGTPMXUOI-CQSZACIVSA-N 1 1 335.429 0.090 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccccc2)C1 ZINC000923587775 611269926 /nfs/dbraw/zinc/26/99/26/611269926.db2.gz DTDLNVLJXVWGFD-OAHLLOKOSA-N 1 1 349.456 0.521 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccccc2)C1 ZINC000923587775 611269928 /nfs/dbraw/zinc/26/99/28/611269928.db2.gz DTDLNVLJXVWGFD-OAHLLOKOSA-N 1 1 349.456 0.521 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCCS(=O)(=O)N2CCCC2)C1 ZINC000923586824 611269952 /nfs/dbraw/zinc/26/99/52/611269952.db2.gz SJTJMFRYJFUNII-OAHLLOKOSA-N 1 1 341.477 0.406 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCS(=O)(=O)N2CCCC2)C1 ZINC000923586824 611269954 /nfs/dbraw/zinc/26/99/54/611269954.db2.gz SJTJMFRYJFUNII-OAHLLOKOSA-N 1 1 341.477 0.406 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)NCc2ccc(F)cc2)C1 ZINC000923589505 611270519 /nfs/dbraw/zinc/27/05/19/611270519.db2.gz SAZKHUWDCXRCII-MRXNPFEDSA-N 1 1 346.406 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)NCc2ccc(F)cc2)C1 ZINC000923589505 611270520 /nfs/dbraw/zinc/27/05/20/611270520.db2.gz SAZKHUWDCXRCII-MRXNPFEDSA-N 1 1 346.406 0.839 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000834687429 611296988 /nfs/dbraw/zinc/29/69/88/611296988.db2.gz ZLIALBCRSPAMPY-JKSUJKDBSA-N 1 1 335.448 0.333 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2CC1 ZINC000946521551 611298910 /nfs/dbraw/zinc/29/89/10/611298910.db2.gz VOFJJPWYXYZXOT-LVQVYYBASA-N 1 1 332.448 0.937 20 30 ECEDMO CC(Cc1cnccn1)=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000834925633 611305940 /nfs/dbraw/zinc/30/59/40/611305940.db2.gz POMZBLUHJKUYDF-UHFFFAOYSA-N 1 1 336.465 0.581 20 30 ECEDMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1 ZINC000946542395 611313859 /nfs/dbraw/zinc/31/38/59/611313859.db2.gz ODUIOYDFEZWSCE-GASCZTMLSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+](CCNC(=O)c1ncc(C#N)cc1Cl)CCOCCO ZINC000922118814 611337005 /nfs/dbraw/zinc/33/70/05/611337005.db2.gz HWRMWAFHOJJYBK-UHFFFAOYSA-N 1 1 326.784 0.277 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC000947899230 611736113 /nfs/dbraw/zinc/73/61/13/611736113.db2.gz HPIAKVKUNZRVNH-NEPJUHHUSA-N 1 1 342.827 0.650 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC000947899230 611736115 /nfs/dbraw/zinc/73/61/15/611736115.db2.gz HPIAKVKUNZRVNH-NEPJUHHUSA-N 1 1 342.827 0.650 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933749510 611746676 /nfs/dbraw/zinc/74/66/76/611746676.db2.gz BMVNHQBAAUXCND-DAYGRLMNSA-N 1 1 329.400 0.885 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H](C)C2)cn1 ZINC000947949333 611752883 /nfs/dbraw/zinc/75/28/83/611752883.db2.gz UFTZFMABJLTZKE-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000950597639 611783409 /nfs/dbraw/zinc/78/34/09/611783409.db2.gz TXRXTKFZTIDLDA-KFWWJZLASA-N 1 1 331.420 0.501 20 30 ECEDMO C#C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000934514353 611805768 /nfs/dbraw/zinc/80/57/68/611805768.db2.gz QGFMVNPXAULPPV-HNNXBMFYSA-N 1 1 341.415 0.991 20 30 ECEDMO C#C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000934514353 611805769 /nfs/dbraw/zinc/80/57/69/611805769.db2.gz QGFMVNPXAULPPV-HNNXBMFYSA-N 1 1 341.415 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnc(C)s1 ZINC000949047782 611827513 /nfs/dbraw/zinc/82/75/13/611827513.db2.gz SBKXWLTXSYUJFP-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnc(C)s1 ZINC000949047782 611827515 /nfs/dbraw/zinc/82/75/15/611827515.db2.gz SBKXWLTXSYUJFP-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000950685143 611835973 /nfs/dbraw/zinc/83/59/73/611835973.db2.gz RDYWBJIVURAQEV-OWCLPIDISA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000950685143 611835976 /nfs/dbraw/zinc/83/59/76/611835976.db2.gz RDYWBJIVURAQEV-OWCLPIDISA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1onc(C)c1C ZINC000950697154 611845671 /nfs/dbraw/zinc/84/56/71/611845671.db2.gz XZVJURHEPGJWLI-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1onc(C)c1C ZINC000950697154 611845674 /nfs/dbraw/zinc/84/56/74/611845674.db2.gz XZVJURHEPGJWLI-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cncnc1C ZINC000950754854 611890108 /nfs/dbraw/zinc/89/01/08/611890108.db2.gz ZQYPVMMLUPZGOV-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cncnc1C ZINC000950754854 611890110 /nfs/dbraw/zinc/89/01/10/611890110.db2.gz ZQYPVMMLUPZGOV-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnnc(C)c1 ZINC000950755257 611890719 /nfs/dbraw/zinc/89/07/19/611890719.db2.gz IEGMHNUWOGWKPU-CVEARBPZSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnnc(C)c1 ZINC000950755257 611890722 /nfs/dbraw/zinc/89/07/22/611890722.db2.gz IEGMHNUWOGWKPU-CVEARBPZSA-N 1 1 341.415 0.213 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1 ZINC000950248025 611927172 /nfs/dbraw/zinc/92/71/72/611927172.db2.gz MIDGTZUFIRPYDC-HZSPNIEDSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3COCCN3C)CC2)C1 ZINC000949343811 611945816 /nfs/dbraw/zinc/94/58/16/611945816.db2.gz SLPQUDDUEFHOQA-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 ZINC000949362294 611952997 /nfs/dbraw/zinc/95/29/97/611952997.db2.gz HYMTYJXRCBZZBN-MRXNPFEDSA-N 1 1 336.432 0.509 20 30 ECEDMO C=CCC[N@@H+]1CCOC2(CCN(C(=O)C3CS(=O)(=O)C3)CC2)C1 ZINC000949376004 611956344 /nfs/dbraw/zinc/95/63/44/611956344.db2.gz NGNXOHUIWVYDCV-UHFFFAOYSA-N 1 1 342.461 0.301 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)C3CS(=O)(=O)C3)CC2)C1 ZINC000949376004 611956345 /nfs/dbraw/zinc/95/63/45/611956345.db2.gz NGNXOHUIWVYDCV-UHFFFAOYSA-N 1 1 342.461 0.301 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000950290499 611957709 /nfs/dbraw/zinc/95/77/09/611957709.db2.gz OGRPAJWXKUSPOG-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000950290499 611957711 /nfs/dbraw/zinc/95/77/11/611957711.db2.gz OGRPAJWXKUSPOG-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC000949451441 611985587 /nfs/dbraw/zinc/98/55/87/611985587.db2.gz ZGXPFBOZSMEIRJ-UHFFFAOYSA-N 1 1 330.388 0.100 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 ZINC000949458977 611988155 /nfs/dbraw/zinc/98/81/55/611988155.db2.gz ZFDYYWZYXPHZOZ-KRWDZBQOSA-N 1 1 333.432 0.372 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 ZINC000949458977 611988158 /nfs/dbraw/zinc/98/81/58/611988158.db2.gz ZFDYYWZYXPHZOZ-KRWDZBQOSA-N 1 1 333.432 0.372 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949485383 611999557 /nfs/dbraw/zinc/99/95/57/611999557.db2.gz DZGWQJXYNTUMLC-LSDHHAIUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)c1 ZINC000950411361 612006328 /nfs/dbraw/zinc/00/63/28/612006328.db2.gz YSSPMTUMRYVWNX-QGZVFWFLSA-N 1 1 339.399 0.078 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC000949499664 612009134 /nfs/dbraw/zinc/00/91/34/612009134.db2.gz XVSUOCFKFHCEGV-UHFFFAOYSA-N 1 1 344.415 0.444 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC000949499664 612009136 /nfs/dbraw/zinc/00/91/36/612009136.db2.gz XVSUOCFKFHCEGV-UHFFFAOYSA-N 1 1 344.415 0.444 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)n3C)CC2)C1 ZINC000949531657 612023366 /nfs/dbraw/zinc/02/33/66/612023366.db2.gz OKXBEWNFEJIQSU-UHFFFAOYSA-N 1 1 348.447 0.607 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nccn1CC ZINC000949648277 612051374 /nfs/dbraw/zinc/05/13/74/612051374.db2.gz RTDHWVDYQCVCEY-CABCVRRESA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nccn1CC ZINC000949648277 612051376 /nfs/dbraw/zinc/05/13/76/612051376.db2.gz RTDHWVDYQCVCEY-CABCVRRESA-N 1 1 343.431 0.331 20 30 ECEDMO C=CCN1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1=O ZINC000950521614 612051953 /nfs/dbraw/zinc/05/19/53/612051953.db2.gz RTEMBGKBLMYZQH-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H](C)c2nnc(C)[nH]2)C1 ZINC000950533156 612057793 /nfs/dbraw/zinc/05/77/93/612057793.db2.gz BFMCOAXGASIAHC-CJNGLKHVSA-N 1 1 344.463 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H](C)c2nnc(C)[nH]2)C1 ZINC000950533156 612057795 /nfs/dbraw/zinc/05/77/95/612057795.db2.gz BFMCOAXGASIAHC-CJNGLKHVSA-N 1 1 344.463 0.804 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000951837799 612087452 /nfs/dbraw/zinc/08/74/52/612087452.db2.gz NHFWGSABDIRBCD-WFASDCNBSA-N 1 1 338.371 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2=COCCO2)C1 ZINC000951223464 612088403 /nfs/dbraw/zinc/08/84/03/612088403.db2.gz IILUDHXKXPJKSS-GJZGRUSLSA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2=COCCO2)C1 ZINC000951223464 612088405 /nfs/dbraw/zinc/08/84/05/612088405.db2.gz IILUDHXKXPJKSS-GJZGRUSLSA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccnn2C)C1 ZINC000951223542 612088587 /nfs/dbraw/zinc/08/85/87/612088587.db2.gz KANUZPRTDJLFFO-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccnn2C)C1 ZINC000951223542 612088589 /nfs/dbraw/zinc/08/85/89/612088589.db2.gz KANUZPRTDJLFFO-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cocn2)C1 ZINC000951224057 612089039 /nfs/dbraw/zinc/08/90/39/612089039.db2.gz XGGCMNCXYPWGGP-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cocn2)C1 ZINC000951224057 612089041 /nfs/dbraw/zinc/08/90/41/612089041.db2.gz XGGCMNCXYPWGGP-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2cccn2)C1 ZINC000951224043 612089193 /nfs/dbraw/zinc/08/91/93/612089193.db2.gz WZFBZZVHTSWFKA-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2cccn2)C1 ZINC000951224043 612089194 /nfs/dbraw/zinc/08/91/94/612089194.db2.gz WZFBZZVHTSWFKA-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)C[N@H+](C)C2CCC2)c1 ZINC000952014066 612176689 /nfs/dbraw/zinc/17/66/89/612176689.db2.gz DUKPELZMSGLMEC-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000952014178 612177156 /nfs/dbraw/zinc/17/71/56/612177156.db2.gz HABNOENZHUMQSK-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)nc1 ZINC000951378605 612195024 /nfs/dbraw/zinc/19/50/24/612195024.db2.gz XBJFFUGPOUVPRT-LSDHHAIUSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H](C)n2cccn2)C1 ZINC000953785871 612270305 /nfs/dbraw/zinc/27/03/05/612270305.db2.gz FEDHRYKYATZUAK-ZBFHGGJFSA-N 1 1 343.431 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H](C)n2cccn2)C1 ZINC000953785871 612270308 /nfs/dbraw/zinc/27/03/08/612270308.db2.gz FEDHRYKYATZUAK-ZBFHGGJFSA-N 1 1 343.431 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cncs2)C1 ZINC000953828892 612329515 /nfs/dbraw/zinc/32/95/15/612329515.db2.gz YBQOURVKCRHJGO-ZDUSSCGKSA-N 1 1 332.429 0.524 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cncs2)C1 ZINC000953828892 612329519 /nfs/dbraw/zinc/32/95/19/612329519.db2.gz YBQOURVKCRHJGO-ZDUSSCGKSA-N 1 1 332.429 0.524 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000955261206 612390808 /nfs/dbraw/zinc/39/08/08/612390808.db2.gz YGFUTFUXNBPKCQ-GOEBONIOSA-N 1 1 347.459 0.875 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CCOC2)C1 ZINC000953931537 612460746 /nfs/dbraw/zinc/46/07/46/612460746.db2.gz RZZVGHIUFHCYLR-HOCLYGCPSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CCOC2)C1 ZINC000953931537 612460749 /nfs/dbraw/zinc/46/07/49/612460749.db2.gz RZZVGHIUFHCYLR-HOCLYGCPSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2n[nH]cc2C)C1 ZINC000954630621 612467335 /nfs/dbraw/zinc/46/73/35/612467335.db2.gz FGBKIUSVLDTKII-AWEZNQCLSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2n[nH]cc2C)C1 ZINC000954630621 612467338 /nfs/dbraw/zinc/46/73/38/612467338.db2.gz FGBKIUSVLDTKII-AWEZNQCLSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CCC(O)CC2)C1 ZINC000954631299 612469676 /nfs/dbraw/zinc/46/96/76/612469676.db2.gz VFINDTZHCPPBIQ-PREGVCBESA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CCC(O)CC2)C1 ZINC000954631299 612469679 /nfs/dbraw/zinc/46/96/79/612469679.db2.gz VFINDTZHCPPBIQ-PREGVCBESA-N 1 1 347.459 0.304 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC000955929434 612498470 /nfs/dbraw/zinc/49/84/70/612498470.db2.gz IEAGIEYDEAZMJL-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC000955363064 612500368 /nfs/dbraw/zinc/50/03/68/612500368.db2.gz XLIQCKWAGHHSME-KBMXLJTQSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC000955363064 612500373 /nfs/dbraw/zinc/50/03/73/612500373.db2.gz XLIQCKWAGHHSME-KBMXLJTQSA-N 1 1 333.432 0.178 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000955364711 612502942 /nfs/dbraw/zinc/50/29/42/612502942.db2.gz RDLFDTNENAFMJF-BMFZPTHFSA-N 1 1 335.448 0.589 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953998026 612535881 /nfs/dbraw/zinc/53/58/81/612535881.db2.gz PUOASRDXPFOORV-LBPRGKRZSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CCC[NH+]1CC(N(CC)C(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC000951757629 612565064 /nfs/dbraw/zinc/56/50/64/612565064.db2.gz ONGMNUUXIICDEZ-UHFFFAOYSA-N 1 1 330.432 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccn(C)c2)C1 ZINC000954052587 612593722 /nfs/dbraw/zinc/59/37/22/612593722.db2.gz UEIKJBIFXDLDLQ-INIZCTEOSA-N 1 1 328.416 0.406 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccn(C)c2)C1 ZINC000954052587 612593724 /nfs/dbraw/zinc/59/37/24/612593724.db2.gz UEIKJBIFXDLDLQ-INIZCTEOSA-N 1 1 328.416 0.406 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956019100 612615866 /nfs/dbraw/zinc/61/58/66/612615866.db2.gz ZYXNVRDHNYRKGH-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1nonc1C ZINC000956073052 612676482 /nfs/dbraw/zinc/67/64/82/612676482.db2.gz LTGXMJULPSFOCV-KBPBESRZSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1nonc1C ZINC000956073052 612676486 /nfs/dbraw/zinc/67/64/86/612676486.db2.gz LTGXMJULPSFOCV-KBPBESRZSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc[nH]c1 ZINC000956073778 612678047 /nfs/dbraw/zinc/67/80/47/612678047.db2.gz XSQJCFYRYJICIQ-HOTGVXAUSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc[nH]c1 ZINC000956073778 612678049 /nfs/dbraw/zinc/67/80/49/612678049.db2.gz XSQJCFYRYJICIQ-HOTGVXAUSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ncccn1 ZINC000956175131 612758818 /nfs/dbraw/zinc/75/88/18/612758818.db2.gz KAXGLAPEUPAGAI-GJZGRUSLSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ncccn1 ZINC000956175131 612758822 /nfs/dbraw/zinc/75/88/22/612758822.db2.gz KAXGLAPEUPAGAI-GJZGRUSLSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nn(C)cc2C)C1 ZINC000954245859 612795542 /nfs/dbraw/zinc/79/55/42/612795542.db2.gz QRVYMKYIMPJHSO-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nn(C)cc2C)C1 ZINC000954245859 612795545 /nfs/dbraw/zinc/79/55/45/612795545.db2.gz QRVYMKYIMPJHSO-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnoc2CC)C1 ZINC000954301768 612836239 /nfs/dbraw/zinc/83/62/39/612836239.db2.gz UUGQBUNMTMOEJD-HNNXBMFYSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnoc2CC)C1 ZINC000954301768 612836241 /nfs/dbraw/zinc/83/62/41/612836241.db2.gz UUGQBUNMTMOEJD-HNNXBMFYSA-N 1 1 344.415 0.617 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(C#N)c(C#N)n4)C[C@H]3C2)cn1 ZINC001164761984 721212519 /nfs/dbraw/zinc/21/25/19/721212519.db2.gz BHWFMVXZNWXDRJ-HUUCEWRRSA-N 1 1 348.414 0.912 20 30 ECEDMO C#CCN1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083234945 735468158 /nfs/dbraw/zinc/46/81/58/735468158.db2.gz DVQZTZSDIGRZID-DLBZAZTESA-N 1 1 337.383 0.426 20 30 ECEDMO C=CCN1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235190 735469200 /nfs/dbraw/zinc/46/92/00/735469200.db2.gz RAIYPJCFALHCTE-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)Cc3ccon3)C(C)(C)C2)C1=O ZINC000972975265 738460079 /nfs/dbraw/zinc/46/00/79/738460079.db2.gz IVGOYQIZYNFGES-CABCVRRESA-N 1 1 346.431 0.831 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)Cc3ccon3)C(C)(C)C2)C1=O ZINC000972975265 738460082 /nfs/dbraw/zinc/46/00/82/738460082.db2.gz IVGOYQIZYNFGES-CABCVRRESA-N 1 1 346.431 0.831 20 30 ECEDMO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC000969115944 731478937 /nfs/dbraw/zinc/47/89/37/731478937.db2.gz YTABCVZLHZWMGZ-LLVKDONJSA-N 1 1 334.376 0.504 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccncc3)C2)C1=O ZINC000969210324 731604240 /nfs/dbraw/zinc/60/42/40/731604240.db2.gz QRRZYZIQJWISPG-CZUORRHYSA-N 1 1 328.416 0.919 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H](n2ccnn2)C1 ZINC001069979176 790272190 /nfs/dbraw/zinc/27/21/90/790272190.db2.gz CKZGVXYHASOFTO-YPMHNXCESA-N 1 1 349.826 0.896 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001211497382 731729951 /nfs/dbraw/zinc/72/99/51/731729951.db2.gz FDAKORCWLNPAOH-IJEWVQPXSA-N 1 1 337.464 0.788 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001211497382 731729954 /nfs/dbraw/zinc/72/99/54/731729954.db2.gz FDAKORCWLNPAOH-IJEWVQPXSA-N 1 1 337.464 0.788 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000969403150 731807107 /nfs/dbraw/zinc/80/71/07/731807107.db2.gz ZKMSPJOWYKUGIX-IAQYHMDHSA-N 1 1 331.420 0.555 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973011977 738542621 /nfs/dbraw/zinc/54/26/21/738542621.db2.gz YDCJKVJCZVPZLO-ZIAGYGMSSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973011977 738542623 /nfs/dbraw/zinc/54/26/23/738542623.db2.gz YDCJKVJCZVPZLO-ZIAGYGMSSA-N 1 1 329.404 0.557 20 30 ECEDMO CC(C)N1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000969514761 731935624 /nfs/dbraw/zinc/93/56/24/731935624.db2.gz RMVBMBJAKIWAJP-LRDDRELGSA-N 1 1 343.431 0.946 20 30 ECEDMO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)cc1C#N ZINC000969548498 731957496 /nfs/dbraw/zinc/95/74/96/731957496.db2.gz NULQNCLZNNLQQV-CQSZACIVSA-N 1 1 340.387 0.998 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001069981522 790275332 /nfs/dbraw/zinc/27/53/32/790275332.db2.gz IUNSBABJBNJIKP-ARKGTOAJSA-N 1 1 331.420 0.621 20 30 ECEDMO CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)NC1=O ZINC000969586350 731986334 /nfs/dbraw/zinc/98/63/34/731986334.db2.gz JJDNEAOUFMHBLO-HUUCEWRRSA-N 1 1 345.378 0.411 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3nccc(C)n3)C2)C1=O ZINC000969587999 731987801 /nfs/dbraw/zinc/98/78/01/731987801.db2.gz INCOMBMBSUZHOJ-DZGCQCFKSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001069981522 790275337 /nfs/dbraw/zinc/27/53/37/790275337.db2.gz IUNSBABJBNJIKP-ARKGTOAJSA-N 1 1 331.420 0.621 20 30 ECEDMO C[C@H](NC(=O)c1cn(C)nn1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969617992 732009474 /nfs/dbraw/zinc/00/94/74/732009474.db2.gz WBJGPIAJPADEDT-JTQLQIEISA-N 1 1 330.417 0.999 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnn(CC3CC3)c2)CC1 ZINC001098524651 732089043 /nfs/dbraw/zinc/08/90/43/732089043.db2.gz NZPNWZSUHANDKH-UHFFFAOYSA-N 1 1 330.432 0.825 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCN(C(=O)CC)C2)CC1 ZINC001098524835 732328841 /nfs/dbraw/zinc/32/88/41/732328841.db2.gz SPXOIMHADFJSCV-OAHLLOKOSA-N 1 1 337.464 0.716 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3nc4nc(C)cc(C)n4n3)C2)C1 ZINC001041812105 782253774 /nfs/dbraw/zinc/25/37/74/782253774.db2.gz GLTKULLQQWZWNV-SFHVURJKSA-N 1 1 338.415 0.912 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H](C)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000969838548 732428219 /nfs/dbraw/zinc/42/82/19/732428219.db2.gz YZHKZGIWKPDWBU-CJNGLKHVSA-N 1 1 330.432 0.955 20 30 ECEDMO CCCN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@H]2C)CC1=O ZINC001208964052 732438047 /nfs/dbraw/zinc/43/80/47/732438047.db2.gz REGKXRIWQPIZEJ-OWCLPIDISA-N 1 1 335.448 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(CC(=O)N(C)C2CC2)C1 ZINC000969865462 732461758 /nfs/dbraw/zinc/46/17/58/732461758.db2.gz ORCIBEGBYPWTRM-PBHICJAKSA-N 1 1 346.475 0.141 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(CC(=O)N(C)C2CC2)C1 ZINC000969865462 732461761 /nfs/dbraw/zinc/46/17/61/732461761.db2.gz ORCIBEGBYPWTRM-PBHICJAKSA-N 1 1 346.475 0.141 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000969865462 732461765 /nfs/dbraw/zinc/46/17/65/732461765.db2.gz ORCIBEGBYPWTRM-PBHICJAKSA-N 1 1 346.475 0.141 20 30 ECEDMO CC#CCN1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193795 732628057 /nfs/dbraw/zinc/62/80/57/732628057.db2.gz ILVJLEVAWUDFEM-BPQIPLTHSA-N 1 1 342.443 0.689 20 30 ECEDMO C=CCN1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193908 732637960 /nfs/dbraw/zinc/63/79/60/732637960.db2.gz MXTSZSWIPKUZMF-BHYGNILZSA-N 1 1 330.432 0.852 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001078082859 782275628 /nfs/dbraw/zinc/27/56/28/782275628.db2.gz XIARXBCZZVCOGA-RTBURBONSA-N 1 1 342.439 0.941 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041821217 782271637 /nfs/dbraw/zinc/27/16/37/782271637.db2.gz CWUPQTKCMSOCRH-SUMWQHHRSA-N 1 1 334.420 0.475 20 30 ECEDMO C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 ZINC001209420588 732894559 /nfs/dbraw/zinc/89/45/59/732894559.db2.gz VQVLKZHRMGHPCU-ZBFHGGJFSA-N 1 1 333.436 0.614 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@](C)(NC(C)=O)C2CC2)CC1 ZINC001098530893 733027711 /nfs/dbraw/zinc/02/77/11/733027711.db2.gz SJUKGDUHOCQLDQ-GOSISDBHSA-N 1 1 337.464 0.763 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125327642 733049014 /nfs/dbraw/zinc/04/90/14/733049014.db2.gz WSGQSOUXVHJLOX-LSDHHAIUSA-N 1 1 346.435 0.088 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC001098533009 733058765 /nfs/dbraw/zinc/05/87/65/733058765.db2.gz ONOHQYJDUWYXBC-UHFFFAOYSA-N 1 1 346.493 0.671 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC001041838844 782316461 /nfs/dbraw/zinc/31/64/61/782316461.db2.gz FTOQSCRBFOCYLB-SJLPKXTDSA-N 1 1 333.432 0.181 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000970210269 733213851 /nfs/dbraw/zinc/21/38/51/733213851.db2.gz NFHQXTDQEAAIBI-LBPRGKRZSA-N 1 1 325.376 0.131 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC000970221139 733231477 /nfs/dbraw/zinc/23/14/77/733231477.db2.gz SBWGMIGGRGJAKR-YCPHGPKFSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cn(CC)nn3)C2)nn1 ZINC000970224521 733235314 /nfs/dbraw/zinc/23/53/14/733235314.db2.gz QQVJGRNWNZVQFQ-CYBMUJFWSA-N 1 1 344.423 0.470 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC000970301330 733335338 /nfs/dbraw/zinc/33/53/38/733335338.db2.gz VGDIRTHVTZEPKL-HVQZGBDUSA-N 1 1 333.432 0.102 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1nccnc1C#N ZINC001104253417 733367714 /nfs/dbraw/zinc/36/77/14/733367714.db2.gz NJSPXNGBESUCPK-HIFRSBDPSA-N 1 1 326.404 0.610 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1nccnc1C#N ZINC001104253417 733367715 /nfs/dbraw/zinc/36/77/15/733367715.db2.gz NJSPXNGBESUCPK-HIFRSBDPSA-N 1 1 326.404 0.610 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nnnn2C)cn1 ZINC001025141744 738713148 /nfs/dbraw/zinc/71/31/48/738713148.db2.gz DANYFWBIAZRZKK-OAHLLOKOSA-N 1 1 339.403 0.371 20 30 ECEDMO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)CNc1ccnc(C#N)n1 ZINC001104260013 733444838 /nfs/dbraw/zinc/44/48/38/733444838.db2.gz ICUHQGRJXDTNJB-ZIAGYGMSSA-N 1 1 330.436 0.809 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001041860507 782356012 /nfs/dbraw/zinc/35/60/12/782356012.db2.gz FJZIHRPWRQJBID-KDOFPFPSSA-N 1 1 333.432 0.930 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccnnc3)C2)C1=O ZINC000970483741 733601235 /nfs/dbraw/zinc/60/12/35/733601235.db2.gz VRMICPXUVMPWHN-DOMZBBRYSA-N 1 1 329.404 0.314 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC000970545461 733664224 /nfs/dbraw/zinc/66/42/24/733664224.db2.gz ZLEJLXQBCCQDDC-SECBINFHSA-N 1 1 329.326 0.907 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ncccn3)C2)C1=O ZINC000970628781 733760982 /nfs/dbraw/zinc/76/09/82/733760982.db2.gz RFUCSKXEEBGLGP-OCCSQVGLSA-N 1 1 329.404 0.314 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970758807 733918763 /nfs/dbraw/zinc/91/87/63/733918763.db2.gz ADCQUSWRPPNTBC-SWLSCSKDSA-N 1 1 342.399 0.032 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3cc(C)ncn3)C2)CC1 ZINC000970792436 733943617 /nfs/dbraw/zinc/94/36/17/733943617.db2.gz KLLXQXPZRNKZDI-QGZVFWFLSA-N 1 1 341.459 0.821 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1cnc[nH]1 ZINC001167349744 733970238 /nfs/dbraw/zinc/97/02/38/733970238.db2.gz FJJRZSWCFDEKQV-AWEZNQCLSA-N 1 1 335.452 0.861 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC001039244041 734110695 /nfs/dbraw/zinc/11/06/95/734110695.db2.gz ISPDUVPAENAMLG-OAHLLOKOSA-N 1 1 331.416 0.329 20 30 ECEDMO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC001039246273 734113226 /nfs/dbraw/zinc/11/32/26/734113226.db2.gz ZCHVNOUUUGBVDT-HNNXBMFYSA-N 1 1 333.432 0.882 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(CCC)C3)[C@H]2C1 ZINC001083209151 734118516 /nfs/dbraw/zinc/11/85/16/734118516.db2.gz SRLFGMMPBNFNND-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001078156472 782394494 /nfs/dbraw/zinc/39/44/94/782394494.db2.gz BQLTXMAJYARVBR-HZPDHXFCSA-N 1 1 346.431 0.596 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3[nH]cnc3C)C2)C1=O ZINC000970993592 734153163 /nfs/dbraw/zinc/15/31/63/734153163.db2.gz QHEUKKPQTXQQFF-FZMZJTMJSA-N 1 1 331.420 0.555 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001087135852 734244533 /nfs/dbraw/zinc/24/45/33/734244533.db2.gz BQNDOZPHWWIKTO-MCIONIFRSA-N 1 1 346.435 0.685 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(c2cc(C)[nH+]c(C)n2)CCO1 ZINC001104317371 734262379 /nfs/dbraw/zinc/26/23/79/734262379.db2.gz VRUAPYRXHZWCDU-WMLDXEAASA-N 1 1 334.420 0.742 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104329205 734350670 /nfs/dbraw/zinc/35/06/70/734350670.db2.gz XYTYEQQNNQDTSM-MRXNPFEDSA-N 1 1 331.420 0.616 20 30 ECEDMO C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971289308 734422302 /nfs/dbraw/zinc/42/23/02/734422302.db2.gz ROSUGOUXIOWUSZ-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971289306 734422325 /nfs/dbraw/zinc/42/23/25/734422325.db2.gz ROSUGOUXIOWUSZ-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@@H+](CCN1CCCC1=O)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971344373 734461320 /nfs/dbraw/zinc/46/13/20/734461320.db2.gz RMUCWXJBZKTXHM-AWEZNQCLSA-N 1 1 329.404 0.655 20 30 ECEDMO CN1CCC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000971363694 734476033 /nfs/dbraw/zinc/47/60/33/734476033.db2.gz CHOFHSVKCGFXTR-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cncnc3)C2)C1=O ZINC000971394222 734506918 /nfs/dbraw/zinc/50/69/18/734506918.db2.gz NQKMRMPUKARDTB-HUUCEWRRSA-N 1 1 329.404 0.410 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 ZINC001104349481 734519938 /nfs/dbraw/zinc/51/99/38/734519938.db2.gz HGYFPTWWTOIRAF-UONOGXRCSA-N 1 1 344.419 0.154 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3ncccc3C#N)CCO2)C1 ZINC001104350407 734526631 /nfs/dbraw/zinc/52/66/31/734526631.db2.gz WBDXWXOCZNFPKE-HOCLYGCPSA-N 1 1 343.431 0.616 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000973146816 738824503 /nfs/dbraw/zinc/82/45/03/738824503.db2.gz ANTXOWMNDDXEMI-RZLSGREXSA-N 1 1 343.431 0.994 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3n[nH]cc3C)C2)C1=O ZINC000971517159 734704592 /nfs/dbraw/zinc/70/45/92/734704592.db2.gz JWUUJEVBHKJZJE-KGLIPLIRSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3n[nH]cc3C)C2)C1=O ZINC000971517166 734704834 /nfs/dbraw/zinc/70/48/34/734704834.db2.gz JWUUJEVBHKJZJE-ZIAGYGMSSA-N 1 1 331.420 0.651 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971544467 734737230 /nfs/dbraw/zinc/73/72/30/734737230.db2.gz BLHOSNQRBNYLEB-AWEZNQCLSA-N 1 1 343.366 0.417 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971544467 734737233 /nfs/dbraw/zinc/73/72/33/734737233.db2.gz BLHOSNQRBNYLEB-AWEZNQCLSA-N 1 1 343.366 0.417 20 30 ECEDMO C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971551827 734740528 /nfs/dbraw/zinc/74/05/28/734740528.db2.gz MHXHEZKWYQYPOU-KSZLIROESA-N 1 1 333.476 0.899 20 30 ECEDMO CC(C)N(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125526935 734783763 /nfs/dbraw/zinc/78/37/63/734783763.db2.gz DHSGRPLEHZIIJG-CQSZACIVSA-N 1 1 330.436 0.973 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)C1 ZINC000971651895 734881053 /nfs/dbraw/zinc/88/10/53/734881053.db2.gz IIYOBRKUBWOROV-OAGGEKHMSA-N 1 1 347.459 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)C1 ZINC000971651895 734881056 /nfs/dbraw/zinc/88/10/56/734881056.db2.gz IIYOBRKUBWOROV-OAGGEKHMSA-N 1 1 347.459 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)c3ncn[nH]3)CC2)C1=O ZINC001167486515 734888983 /nfs/dbraw/zinc/88/89/83/734888983.db2.gz HNMFWTNNJHAYPC-GFCCVEGCSA-N 1 1 332.408 0.081 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)c3nc[nH]n3)CC2)C1=O ZINC001167486515 734888985 /nfs/dbraw/zinc/88/89/85/734888985.db2.gz HNMFWTNNJHAYPC-GFCCVEGCSA-N 1 1 332.408 0.081 20 30 ECEDMO C=CCN1CC[C@@H](N(C)[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC000971676608 734940978 /nfs/dbraw/zinc/94/09/78/734940978.db2.gz GBEYKZUTTCBUHY-HZPDHXFCSA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC000971688266 734949298 /nfs/dbraw/zinc/94/92/98/734949298.db2.gz VKNINEAARIZIEP-DLBZAZTESA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC000971688266 734949300 /nfs/dbraw/zinc/94/93/00/734949300.db2.gz VKNINEAARIZIEP-DLBZAZTESA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@@H](N(C)[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC000971688266 734949304 /nfs/dbraw/zinc/94/93/04/734949304.db2.gz VKNINEAARIZIEP-DLBZAZTESA-N 1 1 348.491 0.790 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000973181682 738873526 /nfs/dbraw/zinc/87/35/26/738873526.db2.gz YREISBZGISUXMM-DOERSZECSA-N 1 1 329.404 0.461 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000971820103 735132920 /nfs/dbraw/zinc/13/29/20/735132920.db2.gz BONGYLJJKZGDKF-CYBMUJFWSA-N 1 1 328.844 0.046 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000971820103 735132922 /nfs/dbraw/zinc/13/29/22/735132922.db2.gz BONGYLJJKZGDKF-CYBMUJFWSA-N 1 1 328.844 0.046 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CCSC)C1 ZINC001149168237 735157137 /nfs/dbraw/zinc/15/71/37/735157137.db2.gz PNIJLPIPQYSPOP-KBPBESRZSA-N 1 1 341.477 0.085 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CCSC)C1 ZINC001149168237 735157139 /nfs/dbraw/zinc/15/71/39/735157139.db2.gz PNIJLPIPQYSPOP-KBPBESRZSA-N 1 1 341.477 0.085 20 30 ECEDMO CN1C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)NC1=O ZINC000972084241 735624979 /nfs/dbraw/zinc/62/49/79/735624979.db2.gz BDKGLVTXZDIZIL-SMDDNHRTSA-N 1 1 347.444 0.676 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC000972086694 735626345 /nfs/dbraw/zinc/62/63/45/735626345.db2.gz VHFXLOWXLGQXHS-DJIMGWMZSA-N 1 1 329.444 0.801 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cn([C@H]4CCOC4)nn3)[C@H]2C1 ZINC001083242882 735673384 /nfs/dbraw/zinc/67/33/84/735673384.db2.gz CYRVGNUEGZAHLD-CWRNSKLLSA-N 1 1 347.419 0.341 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cn([C@H]4CCOC4)nn3)[C@H]2C1 ZINC001083242882 735673386 /nfs/dbraw/zinc/67/33/86/735673386.db2.gz CYRVGNUEGZAHLD-CWRNSKLLSA-N 1 1 347.419 0.341 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC000972138510 735692829 /nfs/dbraw/zinc/69/28/29/735692829.db2.gz PIIXTUKRBVUHCB-ARKGTOAJSA-N 1 1 333.432 0.198 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001041960824 782498113 /nfs/dbraw/zinc/49/81/13/782498113.db2.gz WOTKQTXTKZIZBK-OAHLLOKOSA-N 1 1 337.464 0.620 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972221291 735806128 /nfs/dbraw/zinc/80/61/28/735806128.db2.gz AKXKOSAZEAOPEE-HNNXBMFYSA-N 1 1 326.400 0.856 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc4nc(C)nn43)[C@H]2C1 ZINC001083246210 735889512 /nfs/dbraw/zinc/88/95/12/735889512.db2.gz FHHGUSMHBNEZAE-LSDHHAIUSA-N 1 1 342.403 0.534 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc4nc(C)nn43)[C@H]2C1 ZINC001083246210 735889515 /nfs/dbraw/zinc/88/95/15/735889515.db2.gz FHHGUSMHBNEZAE-LSDHHAIUSA-N 1 1 342.403 0.534 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCN(CC)C3=O)C2)c1 ZINC000972293095 735900937 /nfs/dbraw/zinc/90/09/37/735900937.db2.gz ZZCBDEJBIYFJBU-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4ccc(C)nc34)[C@H]2C1 ZINC001083250944 736085120 /nfs/dbraw/zinc/08/51/20/736085120.db2.gz SAGJMRMQIFXZQJ-JKSUJKDBSA-N 1 1 339.399 0.586 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(=O)NC)nc3)[C@H]2C1 ZINC001083250956 736085436 /nfs/dbraw/zinc/08/54/36/736085436.db2.gz SVXFYEUGMVPOKF-LSDHHAIUSA-N 1 1 330.388 0.152 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(=O)NC)nc3)[C@H]2C1 ZINC001083250956 736085439 /nfs/dbraw/zinc/08/54/39/736085439.db2.gz SVXFYEUGMVPOKF-LSDHHAIUSA-N 1 1 330.388 0.152 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001098570425 736112058 /nfs/dbraw/zinc/11/20/58/736112058.db2.gz BLJQENLVCMNAFW-HNNXBMFYSA-N 1 1 347.463 0.702 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CN(CC#N)CCO3)C1 ZINC000972406727 736133935 /nfs/dbraw/zinc/13/39/35/736133935.db2.gz AWGKVCPZYVIUMK-WMZOPIPTSA-N 1 1 334.464 0.791 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 ZINC000972407666 736137076 /nfs/dbraw/zinc/13/70/76/736137076.db2.gz GAVMRIASGYRLJT-QAPCUYQASA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 ZINC000972432086 736182438 /nfs/dbraw/zinc/18/24/38/736182438.db2.gz XZEGKTGLWORXFX-ZWKOTPCHSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 ZINC000972432086 736182441 /nfs/dbraw/zinc/18/24/41/736182441.db2.gz XZEGKTGLWORXFX-ZWKOTPCHSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 ZINC000972438619 736195143 /nfs/dbraw/zinc/19/51/43/736195143.db2.gz QCZJIVLRQZRMGG-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 ZINC000972438619 736195145 /nfs/dbraw/zinc/19/51/45/736195145.db2.gz QCZJIVLRQZRMGG-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(CCF)c3)C2)C1 ZINC000972441935 736204949 /nfs/dbraw/zinc/20/49/49/736204949.db2.gz XBLNHSSCYHFIKR-KRWDZBQOSA-N 1 1 334.395 0.793 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(CCF)c3)C2)C1 ZINC000972441935 736204952 /nfs/dbraw/zinc/20/49/52/736204952.db2.gz XBLNHSSCYHFIKR-KRWDZBQOSA-N 1 1 334.395 0.793 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3CC)C2)C1 ZINC000972450879 736231388 /nfs/dbraw/zinc/23/13/88/736231388.db2.gz ZFFSDLVWPLNYCC-SFHVURJKSA-N 1 1 330.432 0.923 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3CC)C2)C1 ZINC000972450879 736231392 /nfs/dbraw/zinc/23/13/92/736231392.db2.gz ZFFSDLVWPLNYCC-SFHVURJKSA-N 1 1 330.432 0.923 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001041972735 782520515 /nfs/dbraw/zinc/52/05/15/782520515.db2.gz IAROLNZWHHRGGB-OAHLLOKOSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC000972455977 736245162 /nfs/dbraw/zinc/24/51/62/736245162.db2.gz PCMBMGPYKJBDBW-SFHVURJKSA-N 1 1 349.431 0.405 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 ZINC000972460055 736255085 /nfs/dbraw/zinc/25/50/85/736255085.db2.gz BJFNBEVOKAQISO-QGZVFWFLSA-N 1 1 332.404 0.369 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 ZINC000972460055 736255089 /nfs/dbraw/zinc/25/50/89/736255089.db2.gz BJFNBEVOKAQISO-QGZVFWFLSA-N 1 1 332.404 0.369 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ncc(OC)cn3)C2)C1 ZINC000972460956 736255729 /nfs/dbraw/zinc/25/57/29/736255729.db2.gz NFOUROZNAGKXHY-KRWDZBQOSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncc(OC)cn3)C2)C1 ZINC000972460956 736255733 /nfs/dbraw/zinc/25/57/33/736255733.db2.gz NFOUROZNAGKXHY-KRWDZBQOSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 ZINC000972478801 736304395 /nfs/dbraw/zinc/30/43/95/736304395.db2.gz LFHJGVUAFTULBB-QGZVFWFLSA-N 1 1 331.420 0.167 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 ZINC000972478801 736304401 /nfs/dbraw/zinc/30/44/01/736304401.db2.gz LFHJGVUAFTULBB-QGZVFWFLSA-N 1 1 331.420 0.167 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@H](C)O)CCO3)cc1 ZINC000972491957 736374113 /nfs/dbraw/zinc/37/41/13/736374113.db2.gz GLQXZFACUHSHIE-HNAYVOBHSA-N 1 1 328.412 0.966 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@H](C)O)CCO3)cc1 ZINC000972491957 736374115 /nfs/dbraw/zinc/37/41/15/736374115.db2.gz GLQXZFACUHSHIE-HNAYVOBHSA-N 1 1 328.412 0.966 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001078227007 782523845 /nfs/dbraw/zinc/52/38/45/782523845.db2.gz DUZLEWQCEVOBRV-RCCFBDPRSA-N 1 1 349.475 0.062 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC(C)=O)C1 ZINC001111590029 736535567 /nfs/dbraw/zinc/53/55/67/736535567.db2.gz PMYNDCOQUJFZBD-BXWFABGCSA-N 1 1 347.459 0.854 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC(C)=O)C1 ZINC001111590029 736535568 /nfs/dbraw/zinc/53/55/68/736535568.db2.gz PMYNDCOQUJFZBD-BXWFABGCSA-N 1 1 347.459 0.854 20 30 ECEDMO CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCOC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262334497 736539771 /nfs/dbraw/zinc/53/97/71/736539771.db2.gz VTJPXAHKZKMSTD-JKSUJKDBSA-N 1 1 349.479 0.003 20 30 ECEDMO C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001039573564 736566481 /nfs/dbraw/zinc/56/64/81/736566481.db2.gz IWDCNZZSSVZTEO-YJBOKZPZSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972542885 736652631 /nfs/dbraw/zinc/65/26/31/736652631.db2.gz FLYWPLIRMSYQLT-MAUKXSAKSA-N 1 1 335.448 0.925 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)[nH]1 ZINC001023308117 736666343 /nfs/dbraw/zinc/66/63/43/736666343.db2.gz NIVYVCPITZCDLG-AWEZNQCLSA-N 1 1 343.431 0.951 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000972547503 736672278 /nfs/dbraw/zinc/67/22/78/736672278.db2.gz BOVAERPNCHWSNV-QZTJIDSGSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 ZINC000972553730 736719647 /nfs/dbraw/zinc/71/96/47/736719647.db2.gz JJOJGBGLQOUXCM-KRWDZBQOSA-N 1 1 331.420 0.074 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 ZINC000972553730 736719651 /nfs/dbraw/zinc/71/96/51/736719651.db2.gz JJOJGBGLQOUXCM-KRWDZBQOSA-N 1 1 331.420 0.074 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001006424365 751374984 /nfs/dbraw/zinc/37/49/84/751374984.db2.gz DVMYLYVWELDTEP-LBPRGKRZSA-N 1 1 335.857 0.353 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001023404843 736788924 /nfs/dbraw/zinc/78/89/24/736788924.db2.gz XFYBDMRJGUWBNF-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001023462161 736868505 /nfs/dbraw/zinc/86/85/05/736868505.db2.gz BVRYNDKWRXINJC-INIZCTEOSA-N 1 1 345.443 0.960 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001023469473 736880573 /nfs/dbraw/zinc/88/05/73/736880573.db2.gz FDAFQAYBQYQZSF-ZDUSSCGKSA-N 1 1 342.399 0.878 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001023543396 736987156 /nfs/dbraw/zinc/98/71/56/736987156.db2.gz KOBLRCUTMUVDII-ZDUSSCGKSA-N 1 1 339.403 0.724 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001023543396 736987159 /nfs/dbraw/zinc/98/71/59/736987159.db2.gz KOBLRCUTMUVDII-ZDUSSCGKSA-N 1 1 339.403 0.724 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CCOC)c3)[C@H]2C1 ZINC001083261842 736990145 /nfs/dbraw/zinc/99/01/45/736990145.db2.gz OSPGYFUGVYDMAT-JKSUJKDBSA-N 1 1 334.420 0.631 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001023588924 737041971 /nfs/dbraw/zinc/04/19/71/737041971.db2.gz NZSZZGXARMFTKL-YESZJQIVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001023607236 737070558 /nfs/dbraw/zinc/07/05/58/737070558.db2.gz HJBTVNYYGJVJPT-CQSZACIVSA-N 1 1 330.432 0.816 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3coc(COC)n3)C2)C1 ZINC000972616789 737104717 /nfs/dbraw/zinc/10/47/17/737104717.db2.gz HDQIEKPYGSCQPK-QGZVFWFLSA-N 1 1 333.388 0.761 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3coc(COC)n3)C2)C1 ZINC000972616789 737104720 /nfs/dbraw/zinc/10/47/20/737104720.db2.gz HDQIEKPYGSCQPK-QGZVFWFLSA-N 1 1 333.388 0.761 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001023634461 737120006 /nfs/dbraw/zinc/12/00/06/737120006.db2.gz IVIVAWNLPPPOAC-AWEZNQCLSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001023634461 737120010 /nfs/dbraw/zinc/12/00/10/737120010.db2.gz IVIVAWNLPPPOAC-AWEZNQCLSA-N 1 1 329.400 0.626 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001023640109 737126142 /nfs/dbraw/zinc/12/61/42/737126142.db2.gz WJGQMVBSDQUQLB-UONOGXRCSA-N 1 1 348.451 0.431 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972635605 737185167 /nfs/dbraw/zinc/18/51/67/737185167.db2.gz SGFGBMKDUFZXRG-VQIMIIECSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972635605 737185170 /nfs/dbraw/zinc/18/51/70/737185170.db2.gz SGFGBMKDUFZXRG-VQIMIIECSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001023692518 737207472 /nfs/dbraw/zinc/20/74/72/737207472.db2.gz BKTPXMBKBXJIRL-UONOGXRCSA-N 1 1 346.431 0.962 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CCS(C)(=O)=O)C2)cn1 ZINC001023711420 737219399 /nfs/dbraw/zinc/21/93/99/737219399.db2.gz ZLPVQNIWDGUNTF-AWEZNQCLSA-N 1 1 349.456 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CCS(C)(=O)=O)C2)cn1 ZINC001023711420 737219400 /nfs/dbraw/zinc/21/94/00/737219400.db2.gz ZLPVQNIWDGUNTF-AWEZNQCLSA-N 1 1 349.456 0.549 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001023707915 737225830 /nfs/dbraw/zinc/22/58/30/737225830.db2.gz ZVZQPVUDBFFCQF-ZIAGYGMSSA-N 1 1 344.415 0.409 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CCS(C)(=O)=O)C2)nc1 ZINC001023708326 737226369 /nfs/dbraw/zinc/22/63/69/737226369.db2.gz BETKGLZMJTUIPG-OAHLLOKOSA-N 1 1 349.456 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CCS(C)(=O)=O)C2)nc1 ZINC001023708326 737226370 /nfs/dbraw/zinc/22/63/70/737226370.db2.gz BETKGLZMJTUIPG-OAHLLOKOSA-N 1 1 349.456 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)cn1 ZINC001023709843 737227996 /nfs/dbraw/zinc/22/79/96/737227996.db2.gz CZPOWGCEZFRKSD-KGLIPLIRSA-N 1 1 328.416 0.639 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC000972663916 737279969 /nfs/dbraw/zinc/27/99/69/737279969.db2.gz DBPMJBCOZTXQDA-QGZVFWFLSA-N 1 1 332.404 0.273 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC000972663916 737279971 /nfs/dbraw/zinc/27/99/71/737279971.db2.gz DBPMJBCOZTXQDA-QGZVFWFLSA-N 1 1 332.404 0.273 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972670215 737320657 /nfs/dbraw/zinc/32/06/57/737320657.db2.gz ZJJLAXNEKWFLDQ-KRWDZBQOSA-N 1 1 349.456 0.545 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972670215 737320663 /nfs/dbraw/zinc/32/06/63/737320663.db2.gz ZJJLAXNEKWFLDQ-KRWDZBQOSA-N 1 1 349.456 0.545 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067464038 737321910 /nfs/dbraw/zinc/32/19/10/737321910.db2.gz WQCWEBZPUHFUSA-IRXDYDNUSA-N 1 1 348.491 0.343 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972684387 737374500 /nfs/dbraw/zinc/37/45/00/737374500.db2.gz SJWORVMWQZMYLS-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972689378 737388912 /nfs/dbraw/zinc/38/89/12/737388912.db2.gz WIGSISRGEQNAAG-MAUKXSAKSA-N 1 1 345.447 0.720 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972689378 737388916 /nfs/dbraw/zinc/38/89/16/737388916.db2.gz WIGSISRGEQNAAG-MAUKXSAKSA-N 1 1 345.447 0.720 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972693242 737400016 /nfs/dbraw/zinc/40/00/16/737400016.db2.gz XEMYRAOXOPFWGK-SFHVURJKSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972693242 737400020 /nfs/dbraw/zinc/40/00/20/737400020.db2.gz XEMYRAOXOPFWGK-SFHVURJKSA-N 1 1 342.399 0.121 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001023894785 737470100 /nfs/dbraw/zinc/47/01/00/737470100.db2.gz GTFPOBMKMPMADF-CHWSQXEVSA-N 1 1 333.440 0.916 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(OCC)cn3)C2)C1 ZINC000972703889 737493975 /nfs/dbraw/zinc/49/39/75/737493975.db2.gz VVKVPOQOXRAKJI-GOSISDBHSA-N 1 1 344.415 0.816 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(OCC)cn3)C2)C1 ZINC000972703889 737493978 /nfs/dbraw/zinc/49/39/78/737493978.db2.gz VVKVPOQOXRAKJI-GOSISDBHSA-N 1 1 344.415 0.816 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972707082 737518122 /nfs/dbraw/zinc/51/81/22/737518122.db2.gz GFXWXQJMXWMOKK-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCN(CC)C3=O)C2)cn1 ZINC000972754935 737595626 /nfs/dbraw/zinc/59/56/26/737595626.db2.gz AAPQAKOCYJFTPQ-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCCC3)C2)cn1 ZINC000972756720 737598213 /nfs/dbraw/zinc/59/82/13/737598213.db2.gz OGLRWEBHWCWBEU-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCCC3)C2)cn1 ZINC000972756720 737598215 /nfs/dbraw/zinc/59/82/15/737598215.db2.gz OGLRWEBHWCWBEU-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCC(=O)NC3=O)C2)cn1 ZINC000972757327 737598559 /nfs/dbraw/zinc/59/85/59/737598559.db2.gz YSHMQUUZJBMZDW-GJZGRUSLSA-N 1 1 340.383 0.014 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972760316 737599977 /nfs/dbraw/zinc/59/99/77/737599977.db2.gz RHLPUXXFUACSGW-RISCZKNCSA-N 1 1 332.429 0.931 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CCc2cn(C)nn2)CC1 ZINC001098584247 737706473 /nfs/dbraw/zinc/70/64/73/737706473.db2.gz QEJURMHNZXZNJN-UHFFFAOYSA-N 1 1 333.436 0.056 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H](C[NH2+]Cc3nnn(C)n3)C2)c1 ZINC001024147150 737758422 /nfs/dbraw/zinc/75/84/22/737758422.db2.gz DLFNBDIOMBFRML-CQSZACIVSA-N 1 1 339.403 0.228 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001024508080 738037774 /nfs/dbraw/zinc/03/77/74/738037774.db2.gz FMAUQAOBWWQXPD-XQQFMLRXSA-N 1 1 334.338 0.937 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001024508080 738037777 /nfs/dbraw/zinc/03/77/77/738037777.db2.gz FMAUQAOBWWQXPD-XQQFMLRXSA-N 1 1 334.338 0.937 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039759824 738039256 /nfs/dbraw/zinc/03/92/56/738039256.db2.gz BTUDZJZGZWJEHL-RDTXWAMCSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001024511721 738042390 /nfs/dbraw/zinc/04/23/90/738042390.db2.gz KYQMZSPXDVMUEE-LBPRGKRZSA-N 1 1 325.390 0.145 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001024511721 738042392 /nfs/dbraw/zinc/04/23/92/738042392.db2.gz KYQMZSPXDVMUEE-LBPRGKRZSA-N 1 1 325.390 0.145 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCOCC1 ZINC001087281390 738092059 /nfs/dbraw/zinc/09/20/59/738092059.db2.gz GJJNBRVQSRXGIL-BPQIPLTHSA-N 1 1 333.476 0.947 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001024576042 738122547 /nfs/dbraw/zinc/12/25/47/738122547.db2.gz OUCLGMDSZNZDCW-ZDUSSCGKSA-N 1 1 327.388 0.549 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001024576042 738122550 /nfs/dbraw/zinc/12/25/50/738122550.db2.gz OUCLGMDSZNZDCW-ZDUSSCGKSA-N 1 1 327.388 0.549 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2csnn2)C1=O ZINC001024578622 738125565 /nfs/dbraw/zinc/12/55/65/738125565.db2.gz YEZNASRAMVTSHX-GXTWGEPZSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2csnn2)C1=O ZINC001024578622 738125567 /nfs/dbraw/zinc/12/55/67/738125567.db2.gz YEZNASRAMVTSHX-GXTWGEPZSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@@H]21 ZINC001087292112 738133589 /nfs/dbraw/zinc/13/35/89/738133589.db2.gz GTKQTSJBTUTYOV-BPLDGKMQSA-N 1 1 333.436 0.373 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087309008 738234775 /nfs/dbraw/zinc/23/47/75/738234775.db2.gz YTRYTFBSWFQFNL-WQVCFCJDSA-N 1 1 348.447 0.720 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCC(=O)NC1=O ZINC001087312516 738245726 /nfs/dbraw/zinc/24/57/26/738245726.db2.gz GNOOSUXIIPOBFH-UHOFOFEASA-N 1 1 348.447 0.720 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC(N)=O)[C@@H]3C2(C)C)cn1 ZINC001087314528 738263905 /nfs/dbraw/zinc/26/39/05/738263905.db2.gz MNTXOOYWZRPBJL-OIISXLGYSA-N 1 1 340.427 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CC(N)=O)[C@@H]3C2(C)C)cn1 ZINC001087314528 738263908 /nfs/dbraw/zinc/26/39/08/738263908.db2.gz MNTXOOYWZRPBJL-OIISXLGYSA-N 1 1 340.427 0.767 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001024778958 738286034 /nfs/dbraw/zinc/28/60/34/738286034.db2.gz LCKKQXJETFFKEN-RRFJBIMHSA-N 1 1 335.448 0.372 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083272342 738299425 /nfs/dbraw/zinc/29/94/25/738299425.db2.gz HMMQIEHEMTUHML-JKSUJKDBSA-N 1 1 329.400 0.887 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083272342 738299427 /nfs/dbraw/zinc/29/94/27/738299427.db2.gz HMMQIEHEMTUHML-JKSUJKDBSA-N 1 1 329.400 0.887 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001024842376 738337942 /nfs/dbraw/zinc/33/79/42/738337942.db2.gz DVOKRZRHSINDGG-OWCLPIDISA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001024842376 738337944 /nfs/dbraw/zinc/33/79/44/738337944.db2.gz DVOKRZRHSINDGG-OWCLPIDISA-N 1 1 347.459 0.352 20 30 ECEDMO Cn1ncnc1C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001024916741 738394380 /nfs/dbraw/zinc/39/43/80/738394380.db2.gz XWCUYJZIQXTSDK-CYBMUJFWSA-N 1 1 327.392 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025244389 738910762 /nfs/dbraw/zinc/91/07/62/738910762.db2.gz JDEOKRIVPKPJOE-HUUCEWRRSA-N 1 1 331.420 0.061 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025243119 738918479 /nfs/dbraw/zinc/91/84/79/738918479.db2.gz AFWZFJPCLWNLGD-CVEARBPZSA-N 1 1 345.447 0.451 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000981989424 751421438 /nfs/dbraw/zinc/42/14/38/751421438.db2.gz CALWUWFQIKGSNC-IMJJTQAJSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000981989424 751421443 /nfs/dbraw/zinc/42/14/43/751421443.db2.gz CALWUWFQIKGSNC-IMJJTQAJSA-N 1 1 335.448 0.779 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001025391561 739367171 /nfs/dbraw/zinc/36/71/71/739367171.db2.gz STLSVXAWUNMVJU-UONOGXRCSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001025460217 739575670 /nfs/dbraw/zinc/57/56/70/739575670.db2.gz XXNJADRBVBCJOZ-KGLIPLIRSA-N 1 1 338.473 0.661 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001025460219 739575702 /nfs/dbraw/zinc/57/57/02/739575702.db2.gz XXNJADRBVBCJOZ-ZIAGYGMSSA-N 1 1 338.473 0.661 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3nnnn3c2)C1 ZINC001025491689 739654926 /nfs/dbraw/zinc/65/49/26/739654926.db2.gz XWFLPKCTBASZOZ-ZIAGYGMSSA-N 1 1 326.404 0.978 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2O)CC1 ZINC001025492116 739655731 /nfs/dbraw/zinc/65/57/31/739655731.db2.gz ISBCJQDCOXJUQP-HZPDHXFCSA-N 1 1 346.431 0.626 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2O)CC1 ZINC001025491982 739655759 /nfs/dbraw/zinc/65/57/59/739655759.db2.gz DKOVQUMJAAFZBM-ARFHVFGLSA-N 1 1 335.448 0.372 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3nnnc3c2)C1 ZINC001025505793 739668191 /nfs/dbraw/zinc/66/81/91/739668191.db2.gz KIGVXZVIKYWMET-DZGCQCFKSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3nnnc3c2)C1 ZINC001025505796 739668292 /nfs/dbraw/zinc/66/82/92/739668292.db2.gz KIGVXZVIKYWMET-ZFWWWQNUSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2nc3ncccn3n2)C1 ZINC001025571228 739734543 /nfs/dbraw/zinc/73/45/43/739734543.db2.gz NLDWSNJLJLCYKV-KBPBESRZSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(N)=O)cs3)[C@H]2C1 ZINC001083285049 739817672 /nfs/dbraw/zinc/81/76/72/739817672.db2.gz CRADNKTXZDDGSM-QWHCGFSZSA-N 1 1 333.413 0.396 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C(N)=O)cs3)[C@H]2C1 ZINC001083285049 739817678 /nfs/dbraw/zinc/81/76/78/739817678.db2.gz CRADNKTXZDDGSM-QWHCGFSZSA-N 1 1 333.413 0.396 20 30 ECEDMO COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001025705238 739882455 /nfs/dbraw/zinc/88/24/55/739882455.db2.gz KDKSARGGFHEPNI-SMLCLMEVSA-N 1 1 339.395 0.914 20 30 ECEDMO COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001025705238 739882458 /nfs/dbraw/zinc/88/24/58/739882458.db2.gz KDKSARGGFHEPNI-SMLCLMEVSA-N 1 1 339.395 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCCCO2)C1=O ZINC001025732250 739907578 /nfs/dbraw/zinc/90/75/78/739907578.db2.gz LMUWIXRLCXFVBM-QFXBJFAPSA-N 1 1 347.459 0.779 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CC2CC(OCC)C2)[C@@H](n2ccnn2)C1 ZINC001070004457 790303390 /nfs/dbraw/zinc/30/33/90/790303390.db2.gz FBKMDRQUAFWKKF-BACDZXNISA-N 1 1 345.447 0.848 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CCC2)C1 ZINC001111777636 740234167 /nfs/dbraw/zinc/23/41/67/740234167.db2.gz MAGRKNZKMVBAOH-LBPRGKRZSA-N 1 1 330.392 0.130 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CCC2)C1 ZINC001111777636 740234171 /nfs/dbraw/zinc/23/41/71/740234171.db2.gz MAGRKNZKMVBAOH-LBPRGKRZSA-N 1 1 330.392 0.130 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CC(N)=O)C2)c1 ZINC001087389567 740333417 /nfs/dbraw/zinc/33/34/17/740333417.db2.gz LUFNJGWWOUMFEI-HJWJTTGWSA-N 1 1 338.411 0.331 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCOC)nn1 ZINC001087392356 740409324 /nfs/dbraw/zinc/40/93/24/740409324.db2.gz GLBMJZFRQPNAFN-IVSAIRAKSA-N 1 1 345.447 0.893 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC000982063969 751544348 /nfs/dbraw/zinc/54/43/48/751544348.db2.gz FLKKJBNEXJHMMG-KKUMJFAQSA-N 1 1 335.448 0.766 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)C(N)=O)C2 ZINC000982063969 751544351 /nfs/dbraw/zinc/54/43/51/751544351.db2.gz FLKKJBNEXJHMMG-KKUMJFAQSA-N 1 1 335.448 0.766 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000982064517 751545543 /nfs/dbraw/zinc/54/55/43/751545543.db2.gz RGBUQKZWIFRWIN-XHSDSOJGSA-N 1 1 347.459 0.781 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001020412807 751560999 /nfs/dbraw/zinc/56/09/99/751560999.db2.gz XPQRFJSRLGHLGG-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC000982080190 751574097 /nfs/dbraw/zinc/57/40/97/751574097.db2.gz DLYVFHDQVSXHEM-UHFFFAOYSA-N 1 1 332.404 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000974085450 740912249 /nfs/dbraw/zinc/91/22/49/740912249.db2.gz RESZTFHDRDHNRX-NDKCEZKHSA-N 1 1 339.386 0.749 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000974085450 740912252 /nfs/dbraw/zinc/91/22/52/740912252.db2.gz RESZTFHDRDHNRX-NDKCEZKHSA-N 1 1 339.386 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000974177796 741060351 /nfs/dbraw/zinc/06/03/51/741060351.db2.gz YFRKLVNCMNPVAV-NNXHMXCWSA-N 1 1 329.444 0.894 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000974177796 741060352 /nfs/dbraw/zinc/06/03/52/741060352.db2.gz YFRKLVNCMNPVAV-NNXHMXCWSA-N 1 1 329.444 0.894 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001059857336 751612804 /nfs/dbraw/zinc/61/28/04/751612804.db2.gz ZDIAITZQHCZIGO-TWMKSMIVSA-N 1 1 341.415 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2ccc(C)n2)C1 ZINC000974266146 741199192 /nfs/dbraw/zinc/19/91/92/741199192.db2.gz YPTWWBBOHWWCMG-XHSDSOJGSA-N 1 1 343.431 0.053 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2ccc(C)n2)C1 ZINC000974266146 741199195 /nfs/dbraw/zinc/19/91/95/741199195.db2.gz YPTWWBBOHWWCMG-XHSDSOJGSA-N 1 1 343.431 0.053 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@H]2CCNC2=O)C3)cn1 ZINC000982122729 751617707 /nfs/dbraw/zinc/61/77/07/751617707.db2.gz OQTNEPOJHBUJCA-INIZCTEOSA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nc1 ZINC000974344918 741362363 /nfs/dbraw/zinc/36/23/63/741362363.db2.gz ZTXUYQWYSRWLSI-CWRNSKLLSA-N 1 1 340.427 0.924 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cncnc3C)C2)nn1 ZINC001105174320 741437882 /nfs/dbraw/zinc/43/78/82/741437882.db2.gz WBOINZVKBDUBEM-UHFFFAOYSA-N 1 1 327.392 0.739 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC=C(C)C)nn2)C1 ZINC001105240285 741530813 /nfs/dbraw/zinc/53/08/13/741530813.db2.gz GTGJQPLADGDXPZ-AWEZNQCLSA-N 1 1 331.420 0.756 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CC[N@H+]1C ZINC001105243638 741543024 /nfs/dbraw/zinc/54/30/24/741543024.db2.gz FRJWPAIEUQEGLF-LSDHHAIUSA-N 1 1 331.424 0.005 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cn(C)nc3C)C2)nn1 ZINC001105259957 741583021 /nfs/dbraw/zinc/58/30/21/741583021.db2.gz UIEAUSIKUJZGFI-UHFFFAOYSA-N 1 1 329.408 0.222 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCN(C)C3=O)C2)nn1 ZINC001105265513 741601687 /nfs/dbraw/zinc/60/16/87/741601687.db2.gz AZILWDKNPBCVSN-ZDUSSCGKSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3cncn3C)C2)nn1 ZINC001105276613 741629749 /nfs/dbraw/zinc/62/97/49/741629749.db2.gz MLAPYMAQNZAEMH-UHFFFAOYSA-N 1 1 345.407 0.001 20 30 ECEDMO C=C1CCC(C(=O)N(CCO)CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001058726798 741660614 /nfs/dbraw/zinc/66/06/14/741660614.db2.gz LVXDQNPVUVHZNK-UHFFFAOYSA-N 1 1 348.447 0.875 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1ccnc(C#N)n1)C(C)C ZINC001105301153 741685268 /nfs/dbraw/zinc/68/52/68/741685268.db2.gz NIUCKITVSHOCHU-CABCVRRESA-N 1 1 340.431 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1ccnc(C#N)n1)C(C)C ZINC001105301153 741685270 /nfs/dbraw/zinc/68/52/70/741685270.db2.gz NIUCKITVSHOCHU-CABCVRRESA-N 1 1 340.431 0.420 20 30 ECEDMO C#CCCCCC(=O)NCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001125939159 741686401 /nfs/dbraw/zinc/68/64/01/741686401.db2.gz VRXITMVJANYUIJ-OAHLLOKOSA-N 1 1 333.436 0.714 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3c(C)cnn3C)C2)nn1 ZINC001105303961 741696687 /nfs/dbraw/zinc/69/66/87/741696687.db2.gz WOUDZBJSKOWUMN-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)c3cncnc3)C2)nn1 ZINC001105312679 741731626 /nfs/dbraw/zinc/73/16/26/741731626.db2.gz XYNBZCZZKCBXRG-LBPRGKRZSA-N 1 1 327.392 0.531 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3CCOCC3)[C@@H](O)C2)c1 ZINC001083302985 741793780 /nfs/dbraw/zinc/79/37/80/741793780.db2.gz FNZBJUGVQUWLQP-SJORKVTESA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C3CCOCC3)[C@@H](O)C2)c1 ZINC001083302985 741793781 /nfs/dbraw/zinc/79/37/81/741793781.db2.gz FNZBJUGVQUWLQP-SJORKVTESA-N 1 1 329.400 0.646 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(=O)cc3OC)C2)nn1 ZINC001105329902 741831788 /nfs/dbraw/zinc/83/17/88/741831788.db2.gz DHMQQBLPFPTLME-UHFFFAOYSA-N 1 1 344.375 0.360 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974541105 741874716 /nfs/dbraw/zinc/87/47/16/741874716.db2.gz UDASXMDFWPSTEH-JKSUJKDBSA-N 1 1 341.411 0.973 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974541105 741874719 /nfs/dbraw/zinc/87/47/19/741874719.db2.gz UDASXMDFWPSTEH-JKSUJKDBSA-N 1 1 341.411 0.973 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3ncc[nH]3)C(C)(C)C2)C1=O ZINC000974567685 741901186 /nfs/dbraw/zinc/90/11/86/741901186.db2.gz MEDKRAKSZOTIHR-STQMWFEESA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3ncc[nH]3)C(C)(C)C2)C1=O ZINC000974567685 741901188 /nfs/dbraw/zinc/90/11/88/741901188.db2.gz MEDKRAKSZOTIHR-STQMWFEESA-N 1 1 331.420 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)CC1 ZINC001087413236 741926174 /nfs/dbraw/zinc/92/61/74/741926174.db2.gz AEYSFBXFNCEFQW-OKYOBFRVSA-N 1 1 345.487 0.493 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)CC1 ZINC001087413236 741926176 /nfs/dbraw/zinc/92/61/76/741926176.db2.gz AEYSFBXFNCEFQW-OKYOBFRVSA-N 1 1 345.487 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNCc2noc(CC)n2)C1 ZINC001026893811 742038757 /nfs/dbraw/zinc/03/87/57/742038757.db2.gz OHEAGETXNKPICP-CABCVRRESA-N 1 1 345.447 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNCc2noc(CC)n2)C1 ZINC001026893811 742038761 /nfs/dbraw/zinc/03/87/61/742038761.db2.gz OHEAGETXNKPICP-CABCVRRESA-N 1 1 345.447 0.668 20 30 ECEDMO C=CC[N@H+]1C[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C(C)(C)C1 ZINC000974765546 742154539 /nfs/dbraw/zinc/15/45/39/742154539.db2.gz LPQVARUOHHWQRU-ZDUSSCGKSA-N 1 1 330.392 0.946 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974767397 742157526 /nfs/dbraw/zinc/15/75/26/742157526.db2.gz OKAHTCSRKXFWQF-GFCCVEGCSA-N 1 1 339.417 0.391 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974767397 742157528 /nfs/dbraw/zinc/15/75/28/742157528.db2.gz OKAHTCSRKXFWQF-GFCCVEGCSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2OCC(N)=O)C(C)(C)C1 ZINC000974791989 742182258 /nfs/dbraw/zinc/18/22/58/742182258.db2.gz RSGSRIQUFSYVEP-OAHLLOKOSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2OCC(N)=O)C(C)(C)C1 ZINC000974791989 742182260 /nfs/dbraw/zinc/18/22/60/742182260.db2.gz RSGSRIQUFSYVEP-OAHLLOKOSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000974791335 742194753 /nfs/dbraw/zinc/19/47/53/742194753.db2.gz PFEURHOZMPCZOQ-HNNXBMFYSA-N 1 1 346.431 0.353 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C)c[nH]1 ZINC001114950276 742289122 /nfs/dbraw/zinc/28/91/22/742289122.db2.gz XQZHPNFDMNODDV-FOLVSLTJSA-N 1 1 343.431 0.579 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000974893966 742301510 /nfs/dbraw/zinc/30/15/10/742301510.db2.gz LCXWYQAFJXFDEX-LBPRGKRZSA-N 1 1 344.423 0.710 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@H](NC(=O)C(N)=O)C(C)(C)C2)cc1C#N ZINC000974980248 742430267 /nfs/dbraw/zinc/43/02/67/742430267.db2.gz CYFLEVNQEFRJSE-AWEZNQCLSA-N 1 1 330.388 0.379 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@H](NC(=O)C(N)=O)C(C)(C)C2)cc1C#N ZINC000974980248 742430269 /nfs/dbraw/zinc/43/02/69/742430269.db2.gz CYFLEVNQEFRJSE-AWEZNQCLSA-N 1 1 330.388 0.379 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)c1 ZINC000975011428 742446241 /nfs/dbraw/zinc/44/62/41/742446241.db2.gz KYBNKNWXGRZJOJ-CZUORRHYSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)c1 ZINC000975011428 742446242 /nfs/dbraw/zinc/44/62/42/742446242.db2.gz KYBNKNWXGRZJOJ-CZUORRHYSA-N 1 1 342.443 0.980 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001027075559 742491530 /nfs/dbraw/zinc/49/15/30/742491530.db2.gz VQNXFGNPZYIJBR-MJBXVCDLSA-N 1 1 349.435 0.665 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000975181742 742573072 /nfs/dbraw/zinc/57/30/72/742573072.db2.gz VWOVUXAXLPUOSD-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000975181742 742573074 /nfs/dbraw/zinc/57/30/74/742573074.db2.gz VWOVUXAXLPUOSD-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[NH2+][C@@H](C)c3noc(C)n3)C2)nn1 ZINC001027110785 742597073 /nfs/dbraw/zinc/59/70/73/742597073.db2.gz RLNVDEZERJTQEB-AAEUAGOBSA-N 1 1 345.407 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000975356166 742774587 /nfs/dbraw/zinc/77/45/87/742774587.db2.gz VTXMITFFVUBGIG-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000975356166 742774588 /nfs/dbraw/zinc/77/45/88/742774588.db2.gz VTXMITFFVUBGIG-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001028937186 742923153 /nfs/dbraw/zinc/92/31/53/742923153.db2.gz NWDHQUCUEQADOO-DZGCQCFKSA-N 1 1 342.399 0.034 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)cn1 ZINC001028940852 742938079 /nfs/dbraw/zinc/93/80/79/742938079.db2.gz QOKIPTFRSUVKOF-CYBMUJFWSA-N 1 1 335.429 0.159 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CCS(C)(=O)=O)C2)cn1 ZINC001028940852 742938084 /nfs/dbraw/zinc/93/80/84/742938084.db2.gz QOKIPTFRSUVKOF-CYBMUJFWSA-N 1 1 335.429 0.159 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000996974665 743084460 /nfs/dbraw/zinc/08/44/60/743084460.db2.gz JNHAEPDGHYMBBX-FCEWJHQRSA-N 1 1 345.443 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000996974665 743084467 /nfs/dbraw/zinc/08/44/67/743084467.db2.gz JNHAEPDGHYMBBX-FCEWJHQRSA-N 1 1 345.443 0.370 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1csc(CCCC)n1 ZINC001125997654 743153255 /nfs/dbraw/zinc/15/32/55/743153255.db2.gz CICPKOPACVSMRY-UHFFFAOYSA-N 1 1 336.461 0.831 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1csc(-c2ccoc2)n1 ZINC001125998082 743156403 /nfs/dbraw/zinc/15/64/03/743156403.db2.gz JMFWCTIUGNBYKM-UHFFFAOYSA-N 1 1 346.412 0.748 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)c1 ZINC001020568586 751802965 /nfs/dbraw/zinc/80/29/65/751802965.db2.gz UZPQJPVECITMBD-BPNCWPANSA-N 1 1 325.376 0.198 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CN=NC3=O)C[C@@]2(C)C1 ZINC000982262719 751803820 /nfs/dbraw/zinc/80/38/20/751803820.db2.gz HPFDNTQCHWFQIC-GASCZTMLSA-N 1 1 339.827 0.907 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CN=NC3=O)C[C@@]2(C)C1 ZINC000982262719 751803827 /nfs/dbraw/zinc/80/38/27/751803827.db2.gz HPFDNTQCHWFQIC-GASCZTMLSA-N 1 1 339.827 0.907 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261991709 743308284 /nfs/dbraw/zinc/30/82/84/743308284.db2.gz RKPHBQFDPCQHGZ-BBWFWOEESA-N 1 1 347.511 0.587 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H](CNc1ccnc(C#N)n1)C(C)(C)C ZINC001126030756 743362048 /nfs/dbraw/zinc/36/20/48/743362048.db2.gz XASQNJUXFTWOAN-CYBMUJFWSA-N 1 1 341.419 0.918 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041982242 782543403 /nfs/dbraw/zinc/54/34/03/782543403.db2.gz KRVFRCKTAZPXKZ-QWRGUYRKSA-N 1 1 330.226 0.693 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041982242 782543407 /nfs/dbraw/zinc/54/34/07/782543407.db2.gz KRVFRCKTAZPXKZ-QWRGUYRKSA-N 1 1 330.226 0.693 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)C3=COCCO3)C2)C1=O ZINC001027282987 743437614 /nfs/dbraw/zinc/43/76/14/743437614.db2.gz DJUQOQUDRBMHQR-HUUCEWRRSA-N 1 1 349.431 0.584 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)OC[C@@H]3CCCO3)C2)nn1 ZINC001105381409 743459177 /nfs/dbraw/zinc/45/91/77/743459177.db2.gz ZOZJSCGYAAIEBZ-BBRMVZONSA-N 1 1 349.435 0.521 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCC(F)F)C2)nn1 ZINC001098694703 743466748 /nfs/dbraw/zinc/46/67/48/743466748.db2.gz HJCSQVOIFKHSRH-GFCCVEGCSA-N 1 1 329.351 0.609 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@]3(COC)CCOC3)C2)nn1 ZINC001098695310 743543020 /nfs/dbraw/zinc/54/30/20/743543020.db2.gz SVEZTZDCVIJPIE-NVXWUHKLSA-N 1 1 349.435 0.380 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnsn3)C2)C1=O ZINC001027315649 743631358 /nfs/dbraw/zinc/63/13/58/743631358.db2.gz BTFPMJNVXVPLSG-JSGCOSHPSA-N 1 1 349.460 0.861 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000997588134 743693370 /nfs/dbraw/zinc/69/33/70/743693370.db2.gz NHNZVFQACAVKJJ-PMPSAXMXSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000997588134 743693372 /nfs/dbraw/zinc/69/33/72/743693372.db2.gz NHNZVFQACAVKJJ-PMPSAXMXSA-N 1 1 333.432 0.226 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000997708920 743765092 /nfs/dbraw/zinc/76/50/92/743765092.db2.gz GCWQVPZNMKISEK-WCQYABFASA-N 1 1 328.844 0.979 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3nnn(C(C)(C)C)n3)C[C@@]2(C)C1 ZINC000982282692 751866638 /nfs/dbraw/zinc/86/66/38/751866638.db2.gz GGJLLSXZBDLPKK-CALCHBBNSA-N 1 1 330.436 0.845 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2CC3(CCC3)C2)C1 ZINC000997915439 743881898 /nfs/dbraw/zinc/88/18/98/743881898.db2.gz HQAXLBZTBLVTGW-INIZCTEOSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2CC3(CCC3)C2)C1 ZINC000997915439 743881902 /nfs/dbraw/zinc/88/19/02/743881902.db2.gz HQAXLBZTBLVTGW-INIZCTEOSA-N 1 1 329.444 0.991 20 30 ECEDMO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@@H+](CC(=O)NC)CC1 ZINC000997979371 743914558 /nfs/dbraw/zinc/91/45/58/743914558.db2.gz WSRLZJCJMBCKCQ-HNNXBMFYSA-N 1 1 331.420 0.949 20 30 ECEDMO C=CCn1cc(C(=O)N(CC)[C@H]2CCC[N@H+]([C@H](C)C(N)=O)CC2)nn1 ZINC000998140143 744000690 /nfs/dbraw/zinc/00/06/90/744000690.db2.gz IDTDSKTZVNFIBC-KGLIPLIRSA-N 1 1 348.451 0.655 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001027373441 744038749 /nfs/dbraw/zinc/03/87/49/744038749.db2.gz LZJGKLDUBIEBOT-GJZGRUSLSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000998197243 744044785 /nfs/dbraw/zinc/04/47/85/744044785.db2.gz QPXJJAAHAAZOJW-AWEZNQCLSA-N 1 1 346.431 0.826 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976595013 744119904 /nfs/dbraw/zinc/11/99/04/744119904.db2.gz LWIDIVBCVWOAQE-FFRIZKCHSA-N 1 1 347.459 0.492 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnnn2C2CC2)C1 ZINC001020604536 751890727 /nfs/dbraw/zinc/89/07/27/751890727.db2.gz BWMCRIWEZHTKMC-FWZIUSJTSA-N 1 1 346.435 0.897 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001006848935 751898736 /nfs/dbraw/zinc/89/87/36/751898736.db2.gz ZZVDKIFRAIRUQX-UKRRQHHQSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001006848935 751898744 /nfs/dbraw/zinc/89/87/44/751898744.db2.gz ZZVDKIFRAIRUQX-UKRRQHHQSA-N 1 1 331.420 0.699 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCCNc2ccc(C#N)nn2)C1 ZINC001114946844 751902766 /nfs/dbraw/zinc/90/27/66/751902766.db2.gz UYIDQNJYLGTEMX-HIFRSBDPSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCCNc2ccc(C#N)nn2)C1 ZINC001114946844 751902775 /nfs/dbraw/zinc/90/27/75/751902775.db2.gz UYIDQNJYLGTEMX-HIFRSBDPSA-N 1 1 346.435 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3conc3C)C[C@H]21 ZINC000976736522 744261745 /nfs/dbraw/zinc/26/17/45/744261745.db2.gz NTFVGBBJHNPSJS-LQKXBSAESA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3conc3C)C[C@H]21 ZINC000976736522 744261748 /nfs/dbraw/zinc/26/17/48/744261748.db2.gz NTFVGBBJHNPSJS-LQKXBSAESA-N 1 1 342.399 0.267 20 30 ECEDMO CCn1ncc(C[NH2+]C2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998644348 744265674 /nfs/dbraw/zinc/26/56/74/744265674.db2.gz DPBRWOAPZQDMDB-UHFFFAOYSA-N 1 1 327.392 0.891 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001027434158 744391676 /nfs/dbraw/zinc/39/16/76/744391676.db2.gz KDHIIMPXLIXABG-CQSZACIVSA-N 1 1 334.420 0.046 20 30 ECEDMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nncn1C ZINC000998969622 744439703 /nfs/dbraw/zinc/43/97/03/744439703.db2.gz MYQWJUNJNQKUAQ-DGCLKSJQSA-N 1 1 327.392 0.970 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C ZINC000998971592 744441335 /nfs/dbraw/zinc/44/13/35/744441335.db2.gz XWNRHPCSUMQGCQ-JQWIXIFHSA-N 1 1 328.380 0.365 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]32)cn1 ZINC000976913444 744473409 /nfs/dbraw/zinc/47/34/09/744473409.db2.gz LPBAUWGSKXYWQU-TWMKSMIVSA-N 1 1 338.411 0.344 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CCC1 ZINC000976948792 744507101 /nfs/dbraw/zinc/50/71/01/744507101.db2.gz KSUDKYZSDSJVSH-XUWVNRHRSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CCC1 ZINC000976948792 744507105 /nfs/dbraw/zinc/50/71/05/744507105.db2.gz KSUDKYZSDSJVSH-XUWVNRHRSA-N 1 1 329.444 0.847 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000999263257 744592438 /nfs/dbraw/zinc/59/24/38/744592438.db2.gz PDZYXUKWVKGXLH-OAHLLOKOSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cnc3ccc(OC)nn32)C1 ZINC001027469168 744650963 /nfs/dbraw/zinc/65/09/63/744650963.db2.gz VRFROKPVMBQJIV-ZDUSSCGKSA-N 1 1 327.388 0.908 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[N@H+](CC)CCO4)C[C@H]32)C1 ZINC000977150353 744702951 /nfs/dbraw/zinc/70/29/51/744702951.db2.gz ITLMHPAHFLSLRF-XUWVNRHRSA-N 1 1 347.459 0.636 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[N@@H+](CC)CCO4)C[C@H]32)C1 ZINC000977150353 744702954 /nfs/dbraw/zinc/70/29/54/744702954.db2.gz ITLMHPAHFLSLRF-XUWVNRHRSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1 ZINC001027482838 744736992 /nfs/dbraw/zinc/73/69/92/744736992.db2.gz HKCGBIDGWXWHIK-INIZCTEOSA-N 1 1 332.448 0.931 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001027482838 744736997 /nfs/dbraw/zinc/73/69/97/744736997.db2.gz HKCGBIDGWXWHIK-INIZCTEOSA-N 1 1 332.448 0.931 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3COCCN3CC)C[C@@]2(C)C1 ZINC000982320304 751952012 /nfs/dbraw/zinc/95/20/12/751952012.db2.gz CZQDWWIGXDPPRN-YTQUADARSA-N 1 1 333.476 0.901 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnco3)C2)C1=O ZINC001027513941 744913250 /nfs/dbraw/zinc/91/32/50/744913250.db2.gz XOAMESUKWUEJGU-KGLIPLIRSA-N 1 1 332.404 0.998 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977385350 744919239 /nfs/dbraw/zinc/91/92/39/744919239.db2.gz GHRGBSAWWRGQIG-GOEBONIOSA-N 1 1 345.447 0.778 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001027515144 744920480 /nfs/dbraw/zinc/92/04/80/744920480.db2.gz VKFAKCIQONXMJN-CQSZACIVSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC000999874559 744980974 /nfs/dbraw/zinc/98/09/74/744980974.db2.gz ZZOHIEBAHVZYGV-OLZOCXBDSA-N 1 1 332.408 0.094 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999876166 744983437 /nfs/dbraw/zinc/98/34/37/744983437.db2.gz GNJRJOPFJGJQBN-BMFZPTHFSA-N 1 1 335.448 0.636 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC000977470818 745060075 /nfs/dbraw/zinc/06/00/75/745060075.db2.gz BRDZEAXBRGDHMC-HUUCEWRRSA-N 1 1 329.404 0.653 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1)C(=O)[C@H]1CCC[N@H+]1C ZINC000977495391 745096269 /nfs/dbraw/zinc/09/62/69/745096269.db2.gz ZBWWYSWGGWUCDX-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999960085 745101498 /nfs/dbraw/zinc/10/14/98/745101498.db2.gz BMGLPOZSFDANOD-CVEARBPZSA-N 1 1 332.452 0.811 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999960085 745101501 /nfs/dbraw/zinc/10/15/01/745101501.db2.gz BMGLPOZSFDANOD-CVEARBPZSA-N 1 1 332.452 0.811 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3snnc3C)nn2)C1 ZINC000999966805 745111634 /nfs/dbraw/zinc/11/16/34/745111634.db2.gz MSSMZXITRADOMF-ZDUSSCGKSA-N 1 1 345.432 0.638 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001059198211 745116281 /nfs/dbraw/zinc/11/62/81/745116281.db2.gz NXAQGCRFHMBQKU-AWEZNQCLSA-N 1 1 349.460 0.803 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCCO3)nn2)C1 ZINC000999973672 745122876 /nfs/dbraw/zinc/12/28/76/745122876.db2.gz HFJMYWBJSDLNJI-HZPDHXFCSA-N 1 1 331.420 0.734 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nccn3CC)nn2)C1 ZINC000999983730 745136231 /nfs/dbraw/zinc/13/62/31/745136231.db2.gz JVMRBRTYRZVFTI-CQSZACIVSA-N 1 1 329.408 0.857 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3COC(=O)N3)nn2)C1 ZINC000999985082 745137749 /nfs/dbraw/zinc/13/77/49/745137749.db2.gz NBNBIGFQZFYTSW-KGLIPLIRSA-N 1 1 348.407 0.216 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)nn2)C1 ZINC000999986216 745139826 /nfs/dbraw/zinc/13/98/26/745139826.db2.gz FUCRJRDHBGFTEL-YESZJQIVSA-N 1 1 344.463 0.505 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999986216 745139830 /nfs/dbraw/zinc/13/98/30/745139830.db2.gz FUCRJRDHBGFTEL-YESZJQIVSA-N 1 1 344.463 0.505 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1 ZINC001006919017 751975220 /nfs/dbraw/zinc/97/52/20/751975220.db2.gz HKNXYAXCNWNJPN-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1 ZINC001006919017 751975225 /nfs/dbraw/zinc/97/52/25/751975225.db2.gz HKNXYAXCNWNJPN-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc4n3CCC4)nn2)C1 ZINC000999988830 745145239 /nfs/dbraw/zinc/14/52/39/745145239.db2.gz BDBSXXXJAVKHBN-CQSZACIVSA-N 1 1 341.419 0.784 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)nn2)C1 ZINC000999990356 745147665 /nfs/dbraw/zinc/14/76/65/745147665.db2.gz JUSBSQZQNQNMHU-IRXDYDNUSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999990356 745147667 /nfs/dbraw/zinc/14/76/67/745147667.db2.gz JUSBSQZQNQNMHU-IRXDYDNUSA-N 1 1 344.463 0.647 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)CC2(C)C)nc1 ZINC000977528876 745148776 /nfs/dbraw/zinc/14/87/76/745148776.db2.gz WADQUXDEKVVWPA-IUODEOHRSA-N 1 1 328.416 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)CC2(C)C)nc1 ZINC000977528876 745148778 /nfs/dbraw/zinc/14/87/78/745148778.db2.gz WADQUXDEKVVWPA-IUODEOHRSA-N 1 1 328.416 0.638 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000977530058 745151383 /nfs/dbraw/zinc/15/13/83/745151383.db2.gz OKUTWDOHGVNOLO-UONOGXRCSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc4n3CCC4)nn2)C1 ZINC000999993754 745151752 /nfs/dbraw/zinc/15/17/52/745151752.db2.gz VDSGFNAOADFEKW-AWEZNQCLSA-N 1 1 339.403 0.231 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC(=O)NC3)nn2)C1 ZINC001000001030 745163774 /nfs/dbraw/zinc/16/37/74/745163774.db2.gz AIDMIWGCOUAWRR-HIFRSBDPSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncc4[nH]ccc43)nn2)C1 ZINC001000001551 745164357 /nfs/dbraw/zinc/16/43/57/745164357.db2.gz CWOURJYGRUOQJW-AWEZNQCLSA-N 1 1 349.398 0.964 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(F)c[nH]3)nn2)C1 ZINC001000002493 745166775 /nfs/dbraw/zinc/16/67/75/745166775.db2.gz SALMXFKVBVSDDJ-CQSZACIVSA-N 1 1 330.367 0.945 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3coc(OC)n3)nn2)C1 ZINC001000003073 745167495 /nfs/dbraw/zinc/16/74/95/745167495.db2.gz UXNJAWUPBILTHU-CYBMUJFWSA-N 1 1 344.375 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CCC(OC)CC3)nn2)C1 ZINC001000012462 745181627 /nfs/dbraw/zinc/18/16/27/745181627.db2.gz FOGIDBHKMITCKF-ARWYELJZSA-N 1 1 345.447 0.980 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)c(=O)[nH]3)nn2)C1 ZINC001000021627 745192250 /nfs/dbraw/zinc/19/22/50/745192250.db2.gz RCOKSKUIQWLDSL-GFCCVEGCSA-N 1 1 331.380 0.080 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)C3=NC(=O)N(C)C3)nn2)C1 ZINC001000021627 745192251 /nfs/dbraw/zinc/19/22/51/745192251.db2.gz RCOKSKUIQWLDSL-GFCCVEGCSA-N 1 1 331.380 0.080 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3=NC(=O)N(C)C3)nn2)C1 ZINC001000021627 745192255 /nfs/dbraw/zinc/19/22/55/745192255.db2.gz RCOKSKUIQWLDSL-GFCCVEGCSA-N 1 1 331.380 0.080 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)C1 ZINC000977575068 745197894 /nfs/dbraw/zinc/19/78/94/745197894.db2.gz KYXRDPLXFGJSAG-GFCCVEGCSA-N 1 1 331.420 0.982 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(CC)n3)nn2)C1 ZINC001000028483 745201346 /nfs/dbraw/zinc/20/13/46/745201346.db2.gz DIVVZTGCWGEWEU-AWEZNQCLSA-N 1 1 329.408 0.857 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(CC)n3)nn2)C1 ZINC001000028485 745201478 /nfs/dbraw/zinc/20/14/78/745201478.db2.gz DIVVZTGCWGEWEU-CQSZACIVSA-N 1 1 329.408 0.857 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)n[nH]c3C)nn2)C1 ZINC001000031220 745205029 /nfs/dbraw/zinc/20/50/29/745205029.db2.gz WVOZCWDDHJQDGM-AWEZNQCLSA-N 1 1 329.408 0.981 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nccs3)nn2)C1 ZINC001000037381 745215432 /nfs/dbraw/zinc/21/54/32/745215432.db2.gz RBOSWMPDOFSEBX-ZDUSSCGKSA-N 1 1 330.417 0.935 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc4c([nH]3)CCC4)nn2)C1 ZINC001000038249 745216889 /nfs/dbraw/zinc/21/68/89/745216889.db2.gz UVHWTDRDTQYOAI-HNNXBMFYSA-N 1 1 338.415 0.905 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001000042199 745222155 /nfs/dbraw/zinc/22/21/55/745222155.db2.gz DIPDBYJXAIWEIE-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn4cc[nH]c34)nn2)C1 ZINC001000046810 745228039 /nfs/dbraw/zinc/22/80/39/745228039.db2.gz VUSZYUGVNJQGQG-CYBMUJFWSA-N 1 1 338.375 0.064 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000977581284 745238437 /nfs/dbraw/zinc/23/84/37/745238437.db2.gz CKMPOMFMALWMCV-LBPRGKRZSA-N 1 1 334.420 0.167 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C3=COCCO3)[C@H]2CC)C1=O ZINC001087493355 745239195 /nfs/dbraw/zinc/23/91/95/745239195.db2.gz RKKARSISUPXVIE-ZNMIVQPWSA-N 1 1 349.431 0.631 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nc3nccc(C)n3n2)C(C)(C)C1 ZINC000977584275 745243112 /nfs/dbraw/zinc/24/31/12/745243112.db2.gz INKMMUICVVXVAN-CYBMUJFWSA-N 1 1 326.404 0.896 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000977586616 745247528 /nfs/dbraw/zinc/24/75/28/745247528.db2.gz WJDJXTBQNTXYFR-SWLSCSKDSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)COC[C@@H]3CCCO3)C2)nn1 ZINC001105384717 745257688 /nfs/dbraw/zinc/25/76/88/745257688.db2.gz NDZOIGPGKGDZQV-HNNXBMFYSA-N 1 1 335.408 0.133 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)cc1 ZINC001020696361 751986365 /nfs/dbraw/zinc/98/63/65/751986365.db2.gz HFDWQFUOPJDWKF-HDJSIYSDSA-N 1 1 340.387 0.273 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(CC)no3)C2)nn1 ZINC001020700564 751990691 /nfs/dbraw/zinc/99/06/91/751990691.db2.gz UUPWDFRTVBJBCK-XYPYZODXSA-N 1 1 331.380 0.460 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001000231377 745367599 /nfs/dbraw/zinc/36/75/99/745367599.db2.gz HGIQRVZIQFOEDF-BMFZPTHFSA-N 1 1 333.436 0.970 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001059248003 745401119 /nfs/dbraw/zinc/40/11/19/745401119.db2.gz YZNLVTWTLCYCKX-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001059248003 745401121 /nfs/dbraw/zinc/40/11/21/745401121.db2.gz YZNLVTWTLCYCKX-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027552925 745415035 /nfs/dbraw/zinc/41/50/35/745415035.db2.gz KVEXZRDODKWEIS-AWEZNQCLSA-N 1 1 330.388 0.475 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027552925 745415039 /nfs/dbraw/zinc/41/50/39/745415039.db2.gz KVEXZRDODKWEIS-AWEZNQCLSA-N 1 1 330.388 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@H]3CCCO3)CC2)C1=O ZINC001000413080 745482489 /nfs/dbraw/zinc/48/24/89/745482489.db2.gz QNMXZHAEBMWIOQ-HZPDHXFCSA-N 1 1 333.432 0.701 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)nn1 ZINC001000431525 745494392 /nfs/dbraw/zinc/49/43/92/745494392.db2.gz ZJRSVUWLQUEVQJ-ZDUSSCGKSA-N 1 1 344.423 0.675 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@H]3CCCOC3)CC2)C1=O ZINC001000498847 745548341 /nfs/dbraw/zinc/54/83/41/745548341.db2.gz BYRWQSXWQNWPLB-DLBZAZTESA-N 1 1 347.459 0.948 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)c1 ZINC001027568595 745595618 /nfs/dbraw/zinc/59/56/18/745595618.db2.gz NSUYJCLMPMNPPF-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncccn3)C2)nn1 ZINC001020713584 752016255 /nfs/dbraw/zinc/01/62/55/752016255.db2.gz BYPFMCOPTUQRDS-JOCQHMNTSA-N 1 1 327.392 0.695 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCCNC2=O)nc1 ZINC001028269843 752021033 /nfs/dbraw/zinc/02/10/33/752021033.db2.gz WVGLJZLXJNBSEA-GDBMZVCRSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCCNC2=O)nc1 ZINC001028269843 752021037 /nfs/dbraw/zinc/02/10/37/752021037.db2.gz WVGLJZLXJNBSEA-GDBMZVCRSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CC1(O)CCC1 ZINC000977915059 745668891 /nfs/dbraw/zinc/66/88/91/745668891.db2.gz AOTHKEADSPHLFR-HOTGVXAUSA-N 1 1 347.459 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CC1(O)CCC1 ZINC000977915059 745668895 /nfs/dbraw/zinc/66/88/95/745668895.db2.gz AOTHKEADSPHLFR-HOTGVXAUSA-N 1 1 347.459 0.448 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001028270566 752024284 /nfs/dbraw/zinc/02/42/84/752024284.db2.gz NSTGSODGIXNSFN-CHWSQXEVSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001028270566 752024291 /nfs/dbraw/zinc/02/42/91/752024291.db2.gz NSTGSODGIXNSFN-CHWSQXEVSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001000684046 745695869 /nfs/dbraw/zinc/69/58/69/745695869.db2.gz VRJSLFQBZOOULT-CQSZACIVSA-N 1 1 327.388 0.144 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C[C@@]2(C)C1 ZINC000982352853 752028383 /nfs/dbraw/zinc/02/83/83/752028383.db2.gz MARFEPMENWCESR-ZYSHUDEJSA-N 1 1 346.475 0.971 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O)n1cncn1 ZINC001083415968 745760717 /nfs/dbraw/zinc/76/07/17/745760717.db2.gz JOFMHEBWHYEJQT-WQVCFCJDSA-N 1 1 340.387 0.072 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O)n1cncn1 ZINC001083415968 745760720 /nfs/dbraw/zinc/76/07/20/745760720.db2.gz JOFMHEBWHYEJQT-WQVCFCJDSA-N 1 1 340.387 0.072 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982352970 752030932 /nfs/dbraw/zinc/03/09/32/752030932.db2.gz NQENDPPVBYSIAN-KDURUIRLSA-N 1 1 345.443 0.719 20 30 ECEDMO C[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)C(F)(F)F ZINC001101327753 745819842 /nfs/dbraw/zinc/81/98/42/745819842.db2.gz APJHMRYPMHVCON-GYSYKLTISA-N 1 1 346.353 0.605 20 30 ECEDMO C[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)C(F)(F)F ZINC001101327753 745819849 /nfs/dbraw/zinc/81/98/49/745819849.db2.gz APJHMRYPMHVCON-GYSYKLTISA-N 1 1 346.353 0.605 20 30 ECEDMO CCn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978030092 745830985 /nfs/dbraw/zinc/83/09/85/745830985.db2.gz SMGNNHRRWGUMDQ-PHZGNYQRSA-N 1 1 339.403 0.606 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001000861315 745835431 /nfs/dbraw/zinc/83/54/31/745835431.db2.gz YWRYZEQLWLRKNF-AWEZNQCLSA-N 1 1 329.404 0.318 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)nc1 ZINC000978098828 745915289 /nfs/dbraw/zinc/91/52/89/745915289.db2.gz QNFZIBPSCBYAFL-HOTGVXAUSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)nc1 ZINC000978098833 745915391 /nfs/dbraw/zinc/91/53/91/745915391.db2.gz QNFZIBPSCBYAFL-HZPDHXFCSA-N 1 1 340.427 0.688 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)nn1 ZINC001098703076 745937572 /nfs/dbraw/zinc/93/75/72/745937572.db2.gz IYQFJJBMXSCXNA-GJZGRUSLSA-N 1 1 346.435 0.338 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2COCCN2CC2CCC2)CC1 ZINC001001001110 745965994 /nfs/dbraw/zinc/96/59/94/745965994.db2.gz ICRDEWWPEJCJST-GOSISDBHSA-N 1 1 331.460 0.869 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(CCOC)nn3)[C@@H]2C1 ZINC000978161194 745974434 /nfs/dbraw/zinc/97/44/34/745974434.db2.gz SSOBDWRPQIUONK-XYYAHUGASA-N 1 1 339.827 0.585 20 30 ECEDMO Cn1cnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)n1 ZINC000978170562 746004202 /nfs/dbraw/zinc/00/42/02/746004202.db2.gz KHAHCIFIKXRPNY-ZSOGYDGISA-N 1 1 342.428 0.856 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](C[C@H]3CCc4ncnn43)C2)c1 ZINC001007028858 752054315 /nfs/dbraw/zinc/05/43/15/752054315.db2.gz KIIIHRHEOYQYHB-UONOGXRCSA-N 1 1 339.403 0.860 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(CC)C3)[C@@H]2C1 ZINC000978227694 746056937 /nfs/dbraw/zinc/05/69/37/746056937.db2.gz GEYNAKAATIUMAY-XDQVBPFNSA-N 1 1 325.840 0.901 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC=C(CNC(=O)[C@H]3CNC(=O)N3)CC2)c1 ZINC001001100146 746075401 /nfs/dbraw/zinc/07/54/01/746075401.db2.gz NJCWANIDJINGHC-MRXNPFEDSA-N 1 1 339.399 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@H+]([C@H]3CCCNC3=O)CC2)c1 ZINC001001129165 746098964 /nfs/dbraw/zinc/09/89/64/746098964.db2.gz QBSDFXAJNNUXPK-KRWDZBQOSA-N 1 1 338.411 0.703 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1CC ZINC001087592878 746104546 /nfs/dbraw/zinc/10/45/46/746104546.db2.gz BUIDYRRQHAQLPZ-LSDHHAIUSA-N 1 1 348.447 0.482 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H]1CC ZINC001087635846 746135797 /nfs/dbraw/zinc/13/57/97/746135797.db2.gz RCLVAVMXZXOPAC-QWHCGFSZSA-N 1 1 328.376 0.535 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]21 ZINC000978280986 746143579 /nfs/dbraw/zinc/14/35/79/746143579.db2.gz KKIWSRPCTBFBOX-FJIDUMEYSA-N 1 1 342.443 0.875 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1CC ZINC001087640273 746145628 /nfs/dbraw/zinc/14/56/28/746145628.db2.gz SUOGTNKHLWGBGH-NWDGAFQWSA-N 1 1 339.417 0.533 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nocc3C)C[C@H]21 ZINC000978284942 746148655 /nfs/dbraw/zinc/14/86/55/746148655.db2.gz UNMHBCRTSJBOMG-CUSZFKRNSA-N 1 1 342.443 0.875 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nocc3C)C[C@H]21 ZINC000978284942 746148657 /nfs/dbraw/zinc/14/86/57/746148657.db2.gz UNMHBCRTSJBOMG-CUSZFKRNSA-N 1 1 342.443 0.875 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001059350183 746163509 /nfs/dbraw/zinc/16/35/09/746163509.db2.gz QXSKPPSCOZBSMP-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001001227537 746185875 /nfs/dbraw/zinc/18/58/75/746185875.db2.gz QMYUXODDBBQDGG-OAHLLOKOSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4c(n3)C[C@H](OC)CC4)[C@@H]2C1 ZINC000978329013 746186104 /nfs/dbraw/zinc/18/61/04/746186104.db2.gz BUDMNVRVATYWCL-TUVASFSCSA-N 1 1 330.432 0.938 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1oncc1C ZINC000978329481 746187235 /nfs/dbraw/zinc/18/72/35/746187235.db2.gz WJIMXDBIQIJARV-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1oncc1C ZINC000978329481 746187237 /nfs/dbraw/zinc/18/72/37/746187237.db2.gz WJIMXDBIQIJARV-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnn(C)n3)C2)C1=O ZINC001027613471 746235138 /nfs/dbraw/zinc/23/51/38/746235138.db2.gz IFTSVJHDZXVZNK-ZFWWWQNUSA-N 1 1 346.435 0.138 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@H]1CC ZINC001087734185 746260407 /nfs/dbraw/zinc/26/04/07/746260407.db2.gz QTSXUNPSVVOZDQ-SOUVJXGZSA-N 1 1 330.436 0.618 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4[nH]c(=O)[nH]c4c3)[C@@H]2C1 ZINC000978387603 746284975 /nfs/dbraw/zinc/28/49/75/746284975.db2.gz JVSTXYGXXFGBEW-XYYAHUGASA-N 1 1 325.372 0.594 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001347129 746295050 /nfs/dbraw/zinc/29/50/50/746295050.db2.gz JLBYEOYXKZUURR-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3CC(F)F)[C@@H]2C1 ZINC000978526155 746405214 /nfs/dbraw/zinc/40/52/14/746405214.db2.gz MCFKLUGRCFFYPD-XQLPTFJDSA-N 1 1 343.418 0.822 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3CC(F)F)[C@@H]2C1 ZINC000978527083 746406454 /nfs/dbraw/zinc/40/64/54/746406454.db2.gz PUHWDSVPMAGKAL-XQLPTFJDSA-N 1 1 341.402 0.270 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]nc4C)[C@@H]3C2)C1=O ZINC000978547501 746415224 /nfs/dbraw/zinc/41/52/24/746415224.db2.gz HCICWWVZJQOMAK-JONQDZQNSA-N 1 1 343.431 0.413 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2nonc2C)CC1 ZINC001001491793 746429700 /nfs/dbraw/zinc/42/97/00/746429700.db2.gz KURHOXHVPMXADR-KRWDZBQOSA-N 1 1 345.447 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2nonc2C)CC1 ZINC001001491793 746429703 /nfs/dbraw/zinc/42/97/03/746429703.db2.gz KURHOXHVPMXADR-KRWDZBQOSA-N 1 1 345.447 0.804 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001516405 746454417 /nfs/dbraw/zinc/45/44/17/746454417.db2.gz YZGXYYSBNOVIAR-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001027641078 746467375 /nfs/dbraw/zinc/46/73/75/746467375.db2.gz HAFFYGQSNSLDEQ-CQSZACIVSA-N 1 1 333.436 0.490 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000978666639 746556424 /nfs/dbraw/zinc/55/64/24/746556424.db2.gz GNGRTDKIJVTNSS-HYVNUMGLSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4nc(C)nn4C3)C[C@@]2(C)C1 ZINC000982397289 752102088 /nfs/dbraw/zinc/10/20/88/752102088.db2.gz LLVYVZSENXFBEM-ZYSHUDEJSA-N 1 1 341.459 0.953 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000978667232 746558017 /nfs/dbraw/zinc/55/80/17/746558017.db2.gz LHMOKTYPPJJKPG-XOKHGSTOSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)[C@H]3CCNC3=O)C2)cn1 ZINC001027656565 746599069 /nfs/dbraw/zinc/59/90/69/746599069.db2.gz TULQCDVQQVZWGX-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001027663546 746646054 /nfs/dbraw/zinc/64/60/54/746646054.db2.gz DAHRNTQQXHYLKF-ZFWWWQNUSA-N 1 1 327.450 0.014 20 30 ECEDMO COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)n1 ZINC001087911358 746646453 /nfs/dbraw/zinc/64/64/53/746646453.db2.gz SGZXZUGSDRUXQE-MJBXVCDLSA-N 1 1 329.404 0.925 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978736260 746651112 /nfs/dbraw/zinc/65/11/12/746651112.db2.gz UUEZWWRYXUOODH-GMZLATJGSA-N 1 1 343.431 0.709 20 30 ECEDMO CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1)C1CCC1 ZINC001211885999 746672385 /nfs/dbraw/zinc/67/23/85/746672385.db2.gz BCHSDKRQGYNDCB-QLFBSQMISA-N 1 1 341.477 0.874 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)c[nH]1 ZINC001007135249 752114144 /nfs/dbraw/zinc/11/41/44/752114144.db2.gz UZDABRSEJSLHFR-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c[nH]1 ZINC001007135249 752114147 /nfs/dbraw/zinc/11/41/47/752114147.db2.gz UZDABRSEJSLHFR-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)CC[C@@H]3C2)[nH]1 ZINC001087938782 746688933 /nfs/dbraw/zinc/68/89/33/746688933.db2.gz KTMISWXVEFRTSE-WWGRRREGSA-N 1 1 341.415 0.559 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940174 746694005 /nfs/dbraw/zinc/69/40/05/746694005.db2.gz YWIOJEJDDDKIQT-OSAQELSMSA-N 1 1 329.404 0.544 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)c1 ZINC001029466854 746699990 /nfs/dbraw/zinc/69/99/90/746699990.db2.gz NFOJGMHGHLAMAP-IXDOHACOSA-N 1 1 338.411 0.630 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C[C@H](O)Cn3cccn3)C2)c[nH]1 ZINC001007141864 752118558 /nfs/dbraw/zinc/11/85/58/752118558.db2.gz WOKASCNIXKTIHE-ZBFHGGJFSA-N 1 1 342.403 0.338 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001027677557 746752512 /nfs/dbraw/zinc/75/25/12/746752512.db2.gz VQELKOCAQNJVDW-NSHDSACASA-N 1 1 340.811 0.775 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001027677557 746752514 /nfs/dbraw/zinc/75/25/14/746752514.db2.gz VQELKOCAQNJVDW-NSHDSACASA-N 1 1 340.811 0.775 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@@H]2C1 ZINC001087984597 746824611 /nfs/dbraw/zinc/82/46/11/746824611.db2.gz JJDOBSYCSBKLHD-KFWWJZLASA-N 1 1 333.432 0.880 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978895278 746848576 /nfs/dbraw/zinc/84/85/76/746848576.db2.gz ABIJBVAAKLOUMA-FPCVCCKLSA-N 1 1 343.431 0.246 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001001967131 746851032 /nfs/dbraw/zinc/85/10/32/746851032.db2.gz MDMZIYQAXSADPT-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978907560 746868621 /nfs/dbraw/zinc/86/86/21/746868621.db2.gz SGGNBVNYQDCEHS-ZQDZILKHSA-N 1 1 331.420 0.408 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001001995927 746869712 /nfs/dbraw/zinc/86/97/12/746869712.db2.gz AYZOTFGZNPJTLF-ULQDDVLXSA-N 1 1 349.475 0.884 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001002002011 746882199 /nfs/dbraw/zinc/88/21/99/746882199.db2.gz RATRXINDZXWVSG-JYJNAYRXSA-N 1 1 335.448 0.494 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)[C@@H]2C1 ZINC001075829924 746897792 /nfs/dbraw/zinc/89/77/92/746897792.db2.gz UZJOTXRKXPOUKI-UONOGXRCSA-N 1 1 330.436 0.527 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001059430221 746905303 /nfs/dbraw/zinc/90/53/03/746905303.db2.gz RVDHZJQHVLRMHR-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000978951790 746944235 /nfs/dbraw/zinc/94/42/35/746944235.db2.gz BYVKDKAKJWYLRG-ZNMIVQPWSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000978951790 746944240 /nfs/dbraw/zinc/94/42/40/746944240.db2.gz BYVKDKAKJWYLRG-ZNMIVQPWSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000978953340 746947673 /nfs/dbraw/zinc/94/76/73/746947673.db2.gz NDUPFJJLRPRAJE-RQJABVFESA-N 1 1 339.386 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000978953340 746947676 /nfs/dbraw/zinc/94/76/76/746947676.db2.gz NDUPFJJLRPRAJE-RQJABVFESA-N 1 1 339.386 0.750 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2nocc2C)C1 ZINC000978953777 746948012 /nfs/dbraw/zinc/94/80/12/746948012.db2.gz QZHPBHMESGMQHR-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2nocc2C)C1 ZINC000978953777 746948018 /nfs/dbraw/zinc/94/80/18/746948018.db2.gz QZHPBHMESGMQHR-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000978954735 746950817 /nfs/dbraw/zinc/95/08/17/746950817.db2.gz XMXJNVCCHBJZBZ-TWMKSMIVSA-N 1 1 346.475 0.189 20 30 ECEDMO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001059446239 746980567 /nfs/dbraw/zinc/98/05/67/746980567.db2.gz NKNIEVHUAFYGLT-GBOPCIDUSA-N 1 1 342.403 0.271 20 30 ECEDMO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001059446367 746982639 /nfs/dbraw/zinc/98/26/39/746982639.db2.gz SMNILOQCEPCLLH-GBOPCIDUSA-N 1 1 342.403 0.271 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC ZINC001002118151 746996765 /nfs/dbraw/zinc/99/67/65/746996765.db2.gz JKYFKTQQDLBJTE-GJZGRUSLSA-N 1 1 337.489 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC ZINC001002118151 746996770 /nfs/dbraw/zinc/99/67/70/746996770.db2.gz JKYFKTQQDLBJTE-GJZGRUSLSA-N 1 1 337.489 0.896 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)nc1 ZINC000978985461 747021444 /nfs/dbraw/zinc/02/14/44/747021444.db2.gz KPFKVTGSMKZWRI-PNBKFKSVSA-N 1 1 338.411 0.249 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nonc4C)C[C@H]32)cn1 ZINC000979021631 747049914 /nfs/dbraw/zinc/04/99/14/747049914.db2.gz UVLDTENLWCOXJI-PHZGNYQRSA-N 1 1 337.383 0.862 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nonc4C)C[C@H]32)cn1 ZINC000979021631 747049920 /nfs/dbraw/zinc/04/99/20/747049920.db2.gz UVLDTENLWCOXJI-PHZGNYQRSA-N 1 1 337.383 0.862 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@@H]2C1 ZINC001088013247 747060836 /nfs/dbraw/zinc/06/08/36/747060836.db2.gz XKQWPKAETAREBI-RQJABVFESA-N 1 1 346.349 0.746 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3COC)C[C@@H]2C1 ZINC001088018660 747074194 /nfs/dbraw/zinc/07/41/94/747074194.db2.gz GDKUNAZGDREYIF-CABCVRRESA-N 1 1 330.432 0.984 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1ccon1 ZINC001002213530 747090011 /nfs/dbraw/zinc/09/00/11/747090011.db2.gz OZFFFJXXTBUSNE-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1ccon1 ZINC001002213530 747090015 /nfs/dbraw/zinc/09/00/15/747090015.db2.gz OZFFFJXXTBUSNE-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(CNC(N)=O)cc3)[C@@H]2C1 ZINC000979049848 747119707 /nfs/dbraw/zinc/11/97/07/747119707.db2.gz TURTYCTWIZJUGG-OSYLJGHBSA-N 1 1 340.427 0.786 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](C)Nc1ccnc(C#N)n1)C2 ZINC001098272641 747141341 /nfs/dbraw/zinc/14/13/41/747141341.db2.gz NZEDMZAQTDBALC-YPMHNXCESA-N 1 1 339.403 0.454 20 30 ECEDMO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047334 747144967 /nfs/dbraw/zinc/14/49/67/747144967.db2.gz SETMDEYXAHCBCD-PLQZLIEUSA-N 1 1 330.432 0.153 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CCCC)n3)[C@@H]2C1 ZINC000979083805 747149215 /nfs/dbraw/zinc/14/92/15/747149215.db2.gz KWFGLSOTLIHCJC-QKDCVEJESA-N 1 1 328.416 0.584 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N(C)C3)[C@@H]2C1 ZINC000979097619 747171557 /nfs/dbraw/zinc/17/15/57/747171557.db2.gz GMDQNXBLXNRZLX-XDQVBPFNSA-N 1 1 325.840 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]2C1 ZINC001088060979 747173436 /nfs/dbraw/zinc/17/34/36/747173436.db2.gz FXZUHQUOWJCHMU-CABCVRRESA-N 1 1 328.416 0.424 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnc(C)cn2)C1=O ZINC001027733235 747204833 /nfs/dbraw/zinc/20/48/33/747204833.db2.gz WZYRCSTYJPVADZ-ZBFHGGJFSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnc(C)cn2)C1=O ZINC001027733235 747204836 /nfs/dbraw/zinc/20/48/36/747204836.db2.gz WZYRCSTYJPVADZ-ZBFHGGJFSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnccn2)C1=O ZINC001027731258 747213092 /nfs/dbraw/zinc/21/30/92/747213092.db2.gz IIPYKRIOEKVBRZ-UKRRQHHQSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnccn2)C1=O ZINC001027731258 747213096 /nfs/dbraw/zinc/21/30/96/747213096.db2.gz IIPYKRIOEKVBRZ-UKRRQHHQSA-N 1 1 329.404 0.458 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@@H]2C1 ZINC001088114346 747418954 /nfs/dbraw/zinc/41/89/54/747418954.db2.gz IZMLDUKXMSATHN-OAGGEKHMSA-N 1 1 342.447 0.429 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNCc3cnon3)C2)CC1 ZINC000985154769 747478890 /nfs/dbraw/zinc/47/88/90/747478890.db2.gz PTMGJCHCTKLCAU-CTYIDZIISA-N 1 1 331.420 0.399 20 30 ECEDMO CN(C(=O)C[NH+]1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1)C1CC1 ZINC001002545177 747497397 /nfs/dbraw/zinc/49/73/97/747497397.db2.gz NBBIWKNIWFRSKS-UHFFFAOYSA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3=CCOCC3)[C@@H](O)C2)cc1 ZINC001083422945 747518442 /nfs/dbraw/zinc/51/84/42/747518442.db2.gz WZNNUBPRHSOATG-SJORKVTESA-N 1 1 327.384 0.566 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3=CCOCC3)[C@@H](O)C2)cc1 ZINC001083422945 747518446 /nfs/dbraw/zinc/51/84/46/747518446.db2.gz WZNNUBPRHSOATG-SJORKVTESA-N 1 1 327.384 0.566 20 30 ECEDMO Cc1nnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)[nH]1 ZINC000979291841 747525664 /nfs/dbraw/zinc/52/56/64/747525664.db2.gz KQOAVOCWTZDUPK-IINYFYTJSA-N 1 1 343.391 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ncc[nH]1 ZINC001002644037 747608622 /nfs/dbraw/zinc/60/86/22/747608622.db2.gz YWNOSPLHRHCLGS-CABCVRRESA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ncc[nH]1 ZINC001002644037 747608630 /nfs/dbraw/zinc/60/86/30/747608630.db2.gz YWNOSPLHRHCLGS-CABCVRRESA-N 1 1 343.431 0.570 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nncn4C3)C[C@@H]2C1 ZINC001088210756 747744647 /nfs/dbraw/zinc/74/46/47/747744647.db2.gz ZSDWSEZCJRBVKJ-PMPSAXMXSA-N 1 1 327.432 0.644 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000985339520 747747215 /nfs/dbraw/zinc/74/72/15/747747215.db2.gz WCFIJJPJHKHHKS-QWHCGFSZSA-N 1 1 327.450 0.504 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnc(C)n4C3)C[C@@H]2C1 ZINC001088209083 747750273 /nfs/dbraw/zinc/75/02/73/747750273.db2.gz GBMXIKIOPLNXJP-IKGGRYGDSA-N 1 1 341.459 0.953 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]Cc3cnon3)C2)c1 ZINC000979410646 747762069 /nfs/dbraw/zinc/76/20/69/747762069.db2.gz OAUBXZGUIGUTGV-WBMJQRKESA-N 1 1 341.371 0.465 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)cc1 ZINC001027792446 747773849 /nfs/dbraw/zinc/77/38/49/747773849.db2.gz QDQUBQWJJNIYJU-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)CN3CN=NC3=O)CC2)C1 ZINC001088231280 747780645 /nfs/dbraw/zinc/78/06/45/747780645.db2.gz NLJVANLJRMPFET-HNNXBMFYSA-N 1 1 349.435 0.499 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001088230395 747782413 /nfs/dbraw/zinc/78/24/13/747782413.db2.gz PFKQUCOAYLWSNW-IAGOWNOFSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cnn(C)c3N)CC2)C1 ZINC001088231126 747785595 /nfs/dbraw/zinc/78/55/95/747785595.db2.gz IZJQUJZKZVEVMS-HNNXBMFYSA-N 1 1 345.447 0.579 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001088232868 747788877 /nfs/dbraw/zinc/78/88/77/747788877.db2.gz BHNLBOYNLTZJAC-SFHVURJKSA-N 1 1 342.443 0.982 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001088233013 747789226 /nfs/dbraw/zinc/78/92/26/747789226.db2.gz FSAMWZFRLSMZJG-HUUCEWRRSA-N 1 1 337.420 0.610 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001088233152 747790389 /nfs/dbraw/zinc/79/03/89/747790389.db2.gz JFOUCAZEEYBTBX-JKSUJKDBSA-N 1 1 349.431 0.448 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)C1 ZINC001002790638 747790597 /nfs/dbraw/zinc/79/05/97/747790597.db2.gz NYNCVFVYTQMHQA-ZCDTZLGTSA-N 1 1 341.415 0.700 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC001088233438 747792522 /nfs/dbraw/zinc/79/25/22/747792522.db2.gz QAARCJKCFMFGIS-SJORKVTESA-N 1 1 349.475 0.980 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)C1 ZINC001002791716 747792988 /nfs/dbraw/zinc/79/29/88/747792988.db2.gz SAQOAGOVPYVVLU-MPESAESLSA-N 1 1 341.415 0.700 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cnn(CC)n3)CC2)C1 ZINC001088233761 747797563 /nfs/dbraw/zinc/79/75/63/747797563.db2.gz YYISUYNREATXQB-INIZCTEOSA-N 1 1 345.447 0.874 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]Cc3cnon3)C2)cn1 ZINC000979435194 747831869 /nfs/dbraw/zinc/83/18/69/747831869.db2.gz UQYVKHSNDVMDIZ-BLLLJJGKSA-N 1 1 341.371 0.465 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnccc2C)C1 ZINC001002828932 747844067 /nfs/dbraw/zinc/84/40/67/747844067.db2.gz ISGHTJMUPSUVMN-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnccc2C)C1 ZINC001002828932 747844074 /nfs/dbraw/zinc/84/40/74/747844074.db2.gz ISGHTJMUPSUVMN-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccoc2C)C1 ZINC001002830905 747848430 /nfs/dbraw/zinc/84/84/30/747848430.db2.gz YCCRZLBBXGLEKD-INIZCTEOSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccoc2C)C1 ZINC001002830905 747848436 /nfs/dbraw/zinc/84/84/36/747848436.db2.gz YCCRZLBBXGLEKD-INIZCTEOSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCCO2)C1 ZINC001002830823 747848563 /nfs/dbraw/zinc/84/85/63/747848563.db2.gz WHCIXZKIYZOTDU-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCCO2)C1 ZINC001002830823 747848572 /nfs/dbraw/zinc/84/85/72/747848572.db2.gz WHCIXZKIYZOTDU-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO Cn1ncc(C[N@H+](C)C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC000985390325 747880371 /nfs/dbraw/zinc/88/03/71/747880371.db2.gz FEKFTXOTRJZWTA-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC000985390325 747880376 /nfs/dbraw/zinc/88/03/76/747880376.db2.gz FEKFTXOTRJZWTA-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002880624 747915108 /nfs/dbraw/zinc/91/51/08/747915108.db2.gz QHEZAYUBPLHLCU-UKRRQHHQSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002880624 747915112 /nfs/dbraw/zinc/91/51/12/747915112.db2.gz QHEZAYUBPLHLCU-UKRRQHHQSA-N 1 1 337.464 0.882 20 30 ECEDMO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1COC(=O)N1 ZINC001007255745 752225935 /nfs/dbraw/zinc/22/59/35/752225935.db2.gz BNLSGHICFQXOJV-HOTGVXAUSA-N 1 1 327.384 0.727 20 30 ECEDMO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1COC(=O)N1 ZINC001007255745 752225939 /nfs/dbraw/zinc/22/59/39/752225939.db2.gz BNLSGHICFQXOJV-HOTGVXAUSA-N 1 1 327.384 0.727 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027813320 748001767 /nfs/dbraw/zinc/00/17/67/748001767.db2.gz RELFUWJOWZTXEQ-GDBMZVCRSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027813320 748001776 /nfs/dbraw/zinc/00/17/76/748001776.db2.gz RELFUWJOWZTXEQ-GDBMZVCRSA-N 1 1 341.415 0.867 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1F ZINC001007263725 752235884 /nfs/dbraw/zinc/23/58/84/752235884.db2.gz ULEWRWYXHHGBAP-ZFWWWQNUSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1F ZINC001007263725 752235888 /nfs/dbraw/zinc/23/58/88/752235888.db2.gz ULEWRWYXHHGBAP-ZFWWWQNUSA-N 1 1 346.362 0.886 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001003035801 748101140 /nfs/dbraw/zinc/10/11/40/748101140.db2.gz GSOWGYDHJTYWDE-QGZVFWFLSA-N 1 1 340.427 0.735 20 30 ECEDMO CN1CCC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001029707635 748109411 /nfs/dbraw/zinc/10/94/11/748109411.db2.gz CNHKBBNUQZKPSF-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC000979612972 748121235 /nfs/dbraw/zinc/12/12/35/748121235.db2.gz GVTRJFVIZKSPBE-IACUBPJLSA-N 1 1 329.404 0.463 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979673464 748202656 /nfs/dbraw/zinc/20/26/56/748202656.db2.gz UMZVBOFKKSHWAC-XNRPHZJLSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccnc(F)c1 ZINC001075856450 748209750 /nfs/dbraw/zinc/20/97/50/748209750.db2.gz RLYCUWPEMPIKPE-ZFWWWQNUSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccnc(F)c1 ZINC001075856450 748209755 /nfs/dbraw/zinc/20/97/55/748209755.db2.gz RLYCUWPEMPIKPE-ZFWWWQNUSA-N 1 1 346.406 0.943 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001059553899 748308591 /nfs/dbraw/zinc/30/85/91/748308591.db2.gz AJUYCZITVMJJJU-MAUKXSAKSA-N 1 1 348.447 0.873 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001059555172 748318796 /nfs/dbraw/zinc/31/87/96/748318796.db2.gz OAFHURIEUXJUGV-CRAIPNDOSA-N 1 1 348.447 0.873 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C[C@@H]2C1 ZINC000979741477 748324299 /nfs/dbraw/zinc/32/42/99/748324299.db2.gz GJDVUHCAGVKUCF-GZBFAFLISA-N 1 1 326.462 0.824 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](CNC(C)=O)C2(C1)CCOCC2 ZINC001020850141 752261163 /nfs/dbraw/zinc/26/11/63/752261163.db2.gz HVADTDPKXOLYHK-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](CNC(C)=O)C2(C1)CCOCC2 ZINC001020850141 752261166 /nfs/dbraw/zinc/26/11/66/752261166.db2.gz HVADTDPKXOLYHK-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3cnoc3)C2)C1=O ZINC001029815574 748558110 /nfs/dbraw/zinc/55/81/10/748558110.db2.gz OGDSCKHQMPIDPG-GOEBONIOSA-N 1 1 346.431 0.784 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC001003471483 748589060 /nfs/dbraw/zinc/58/90/60/748589060.db2.gz JRUYKOCBEHXRCX-SUMWQHHRSA-N 1 1 340.427 0.449 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC001003471477 748589158 /nfs/dbraw/zinc/58/91/58/748589158.db2.gz JOMPYZDFFULVOE-AWEZNQCLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001098728936 748743524 /nfs/dbraw/zinc/74/35/24/748743524.db2.gz WTEBBYMLHXBTFY-ZBFHGGJFSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnsn2)C1 ZINC000979967641 748760045 /nfs/dbraw/zinc/76/00/45/748760045.db2.gz NOKLDFPZRRSEKA-OBJOEFQTSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnsn2)C1 ZINC000979967641 748760046 /nfs/dbraw/zinc/76/00/46/748760046.db2.gz NOKLDFPZRRSEKA-OBJOEFQTSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccn2)C1 ZINC000979968054 748760496 /nfs/dbraw/zinc/76/04/96/748760496.db2.gz PZTXZYPNZQPVTR-KKUMJFAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccn2)C1 ZINC000979968054 748760501 /nfs/dbraw/zinc/76/05/01/748760501.db2.gz PZTXZYPNZQPVTR-KKUMJFAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@H+](C)[C@@H]3CCCNC3=O)CC2)c1 ZINC000985638419 748774515 /nfs/dbraw/zinc/77/45/15/748774515.db2.gz VISYDTJYNPLDBU-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC000979982159 748775603 /nfs/dbraw/zinc/77/56/03/748775603.db2.gz RDKDTZHBGXJKBH-YESZJQIVSA-N 1 1 348.491 0.553 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)cc1 ZINC001027861455 748802261 /nfs/dbraw/zinc/80/22/61/748802261.db2.gz XPOFMEUMJWUADX-LSDHHAIUSA-N 1 1 328.372 0.747 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H](C)c2nnnn2C)CC1 ZINC000985662370 748834069 /nfs/dbraw/zinc/83/40/69/748834069.db2.gz SHQXDCJVAFKCAB-CFVMTHIKSA-N 1 1 348.451 0.785 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H](C)c2nnnn2C)CC1 ZINC000985662370 748834073 /nfs/dbraw/zinc/83/40/73/748834073.db2.gz SHQXDCJVAFKCAB-CFVMTHIKSA-N 1 1 348.451 0.785 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cn(C)nn2)CC1 ZINC000985667936 748840190 /nfs/dbraw/zinc/84/01/90/748840190.db2.gz VMBKHJCBJXOEOS-CVEARBPZSA-N 1 1 333.436 0.829 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cn(C)nn2)CC1 ZINC000985667936 748840193 /nfs/dbraw/zinc/84/01/93/748840193.db2.gz VMBKHJCBJXOEOS-CVEARBPZSA-N 1 1 333.436 0.829 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)Cc3ncc[nH]3)CC2)C1=O ZINC000985714322 748940367 /nfs/dbraw/zinc/94/03/67/748940367.db2.gz AVFPTAOAJFDLGH-OAHLLOKOSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cccnn3)CC2)C1=O ZINC000985717278 748946912 /nfs/dbraw/zinc/94/69/12/748946912.db2.gz QPCOZEZVOFJLAV-INIZCTEOSA-N 1 1 343.431 0.800 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]2C1 ZINC000980090274 748960729 /nfs/dbraw/zinc/96/07/29/748960729.db2.gz ZLUWEPCJXQVJFI-SOUVJXGZSA-N 1 1 333.436 0.375 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)C[C@H]2C1 ZINC000980142142 749055094 /nfs/dbraw/zinc/05/50/94/749055094.db2.gz CKNNQNGVSCDGLB-MELADBBJSA-N 1 1 328.416 0.967 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)n(C)c3=O)C[C@H]2C1 ZINC000980194615 749129285 /nfs/dbraw/zinc/12/92/85/749129285.db2.gz YCWROXRBWVYJSY-MELADBBJSA-N 1 1 346.431 0.100 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)nn1 ZINC000980183027 749129979 /nfs/dbraw/zinc/12/99/79/749129979.db2.gz DXDWRAVXRUKHOJ-MELADBBJSA-N 1 1 346.435 0.040 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C(C)(C)F)CC2)CC1 ZINC000985822729 749174705 /nfs/dbraw/zinc/17/47/05/749174705.db2.gz OGWKESDJCMNOGU-UHFFFAOYSA-N 1 1 338.427 0.640 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 ZINC000980205559 749181518 /nfs/dbraw/zinc/18/15/18/749181518.db2.gz DVYABVFRDKUNRN-MJBXVCDLSA-N 1 1 334.420 0.283 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC000980205560 749181746 /nfs/dbraw/zinc/18/17/46/749181746.db2.gz DXZUNHQXISTEID-KKUMJFAQSA-N 1 1 348.447 0.673 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccn4c(=O)[nH]nc34)C[C@H]2C1 ZINC000980207588 749185551 /nfs/dbraw/zinc/18/55/51/749185551.db2.gz KCOGAKRHWAPHNB-MELADBBJSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H](C)CC)CC2)CC1 ZINC000985827258 749190197 /nfs/dbraw/zinc/19/01/97/749190197.db2.gz XTDCPNWRKDRFFM-INIZCTEOSA-N 1 1 334.464 0.938 20 30 ECEDMO CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 ZINC000985828304 749193616 /nfs/dbraw/zinc/19/36/16/749193616.db2.gz FOKDBTJOHGPHFS-UHFFFAOYSA-N 1 1 344.419 0.402 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 ZINC000980231620 749228214 /nfs/dbraw/zinc/22/82/14/749228214.db2.gz MWUVBHHUHUKIQI-HRCADAONSA-N 1 1 347.463 0.683 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC000980245790 749234151 /nfs/dbraw/zinc/23/41/51/749234151.db2.gz OQRKSCXPFOLIDQ-ZNMIVQPWSA-N 1 1 333.432 0.928 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC001004198885 749305501 /nfs/dbraw/zinc/30/55/01/749305501.db2.gz KKMSJMDURYBUQS-CQSZACIVSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000980346440 749401715 /nfs/dbraw/zinc/40/17/15/749401715.db2.gz NLAAMCLPLBIXSN-QWRGUYRKSA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000980346440 749401719 /nfs/dbraw/zinc/40/17/19/749401719.db2.gz NLAAMCLPLBIXSN-QWRGUYRKSA-N 1 1 328.800 0.260 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)cn3)[C@H]2C)C1=O ZINC001088454222 749430678 /nfs/dbraw/zinc/43/06/78/749430678.db2.gz CWNDVZJHHKGGPB-IJEWVQPXSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(C)cn3)[C@H]2C)C1=O ZINC001088454222 749430684 /nfs/dbraw/zinc/43/06/84/749430684.db2.gz CWNDVZJHHKGGPB-IJEWVQPXSA-N 1 1 343.431 0.765 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC001004372415 749435715 /nfs/dbraw/zinc/43/57/15/749435715.db2.gz ZAPHPYKRYPGXSV-HZMVEIRTSA-N 1 1 329.444 0.990 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cnn(C)n3)C2)nc1 ZINC001029889622 749443836 /nfs/dbraw/zinc/44/38/36/749443836.db2.gz JZMIHRDYVCJIQU-OAHLLOKOSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cnn(C)n3)C2)nc1 ZINC001029889622 749443838 /nfs/dbraw/zinc/44/38/38/749443838.db2.gz JZMIHRDYVCJIQU-OAHLLOKOSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cn(C)nn3)C2)cn1 ZINC001029891381 749463140 /nfs/dbraw/zinc/46/31/40/749463140.db2.gz FNQBQLKBSCUWPP-AWEZNQCLSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cn(C)nn3)C2)cn1 ZINC001029891381 749463146 /nfs/dbraw/zinc/46/31/46/749463146.db2.gz FNQBQLKBSCUWPP-AWEZNQCLSA-N 1 1 338.415 0.786 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)no3)[C@H]2C)C1=O ZINC001088466282 749511744 /nfs/dbraw/zinc/51/17/44/749511744.db2.gz YONFCMISJSGXDK-RDBSUJKOSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)no3)[C@H]2C)C1=O ZINC001088466282 749511750 /nfs/dbraw/zinc/51/17/50/749511750.db2.gz YONFCMISJSGXDK-RDBSUJKOSA-N 1 1 332.404 0.963 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001004456763 749523453 /nfs/dbraw/zinc/52/34/53/749523453.db2.gz HTIUSBGCCWETTE-LSDHHAIUSA-N 1 1 346.431 0.311 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001004475184 749544333 /nfs/dbraw/zinc/54/43/33/749544333.db2.gz RXXLRIDDZBPZAF-QGZVFWFLSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001004478741 749549432 /nfs/dbraw/zinc/54/94/32/749549432.db2.gz XSSWWJXHYUQLEK-JKSUJKDBSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC001027937665 749617272 /nfs/dbraw/zinc/61/72/72/749617272.db2.gz WQZGCZBJGCKNFI-DZGCQCFKSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001027937665 749617275 /nfs/dbraw/zinc/61/72/75/749617275.db2.gz WQZGCZBJGCKNFI-DZGCQCFKSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCn1cccn1 ZINC001027939133 749643129 /nfs/dbraw/zinc/64/31/29/749643129.db2.gz IGFQQBAHLUIYSB-IRXDYDNUSA-N 1 1 329.448 0.561 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000980482595 749643920 /nfs/dbraw/zinc/64/39/20/749643920.db2.gz AAQNTNWERHDRDD-CYBMUJFWSA-N 1 1 334.424 0.089 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC000986189805 749648959 /nfs/dbraw/zinc/64/89/59/749648959.db2.gz XNEGEOJDULTDSP-XHDPSFHLSA-N 1 1 327.392 0.891 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001004583946 749655958 /nfs/dbraw/zinc/65/59/58/749655958.db2.gz RSRFNLDSORUBHE-HNNXBMFYSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nncs1 ZINC001027944102 749678277 /nfs/dbraw/zinc/67/82/77/749678277.db2.gz UPPBDXNGLNPFLT-KGLIPLIRSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nncs1 ZINC001027944102 749678284 /nfs/dbraw/zinc/67/82/84/749678284.db2.gz UPPBDXNGLNPFLT-KGLIPLIRSA-N 1 1 333.461 0.716 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001004609060 749680789 /nfs/dbraw/zinc/68/07/89/749680789.db2.gz DQOXXIALIZWQHW-INIZCTEOSA-N 1 1 347.463 0.779 20 30 ECEDMO [NH2+]=C(NC[C@H]1CN2CCN1CC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000262784360 749748376 /nfs/dbraw/zinc/74/83/76/749748376.db2.gz MEQGWIIZMQYXCN-KRWDZBQOSA-N 1 1 346.454 0.262 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000980579061 749807555 /nfs/dbraw/zinc/80/75/55/749807555.db2.gz ILEZYCZAOXWSJW-FPCVCCKLSA-N 1 1 346.431 0.794 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001027953343 749832966 /nfs/dbraw/zinc/83/29/66/749832966.db2.gz LUNQMBMWJVXYPN-QWHCGFSZSA-N 1 1 347.419 0.405 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nccnc3N)[C@H]2C)C1=O ZINC001088497152 749993506 /nfs/dbraw/zinc/99/35/06/749993506.db2.gz JXHFAOCVHPPOTO-AGIUHOORSA-N 1 1 344.419 0.038 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nccnc3N)[C@H]2C)C1=O ZINC001088497152 749993510 /nfs/dbraw/zinc/99/35/10/749993510.db2.gz JXHFAOCVHPPOTO-AGIUHOORSA-N 1 1 344.419 0.038 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1)[C@H]1CCCNC1=O ZINC001029958285 750082336 /nfs/dbraw/zinc/08/23/36/750082336.db2.gz UTFCSRUHESEIIS-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO CN(CCN(C)c1ccncc1C#N)C(=O)CC[NH+]1CCOCC1 ZINC001105434415 750086633 /nfs/dbraw/zinc/08/66/33/750086633.db2.gz UPZTZRZTPFUMLX-UHFFFAOYSA-N 1 1 331.420 0.570 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC001058849218 750148980 /nfs/dbraw/zinc/14/89/80/750148980.db2.gz PJKXWGSJGACGRX-CVEARBPZSA-N 1 1 349.475 0.315 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1C ZINC001005048757 750180907 /nfs/dbraw/zinc/18/09/07/750180907.db2.gz QGWPLSVAUYHSLA-CJNGLKHVSA-N 1 1 328.416 0.958 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001030181511 762015963 /nfs/dbraw/zinc/01/59/63/762015963.db2.gz FGHGIQQXLXRQHW-INIZCTEOSA-N 1 1 332.379 0.328 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001030181511 762015973 /nfs/dbraw/zinc/01/59/73/762015973.db2.gz FGHGIQQXLXRQHW-INIZCTEOSA-N 1 1 332.379 0.328 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@H]1C(F)(F)F ZINC001112212034 750195918 /nfs/dbraw/zinc/19/59/18/750195918.db2.gz JKYBLVVIGQNCMX-NXEZZACHSA-N 1 1 326.340 0.033 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3CCCOC3)CC2)C1=O ZINC000980827422 750216636 /nfs/dbraw/zinc/21/66/36/750216636.db2.gz CWZAFVXPJPUXDL-HOTGVXAUSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3CCCOC3)CC2)C1=O ZINC000980827422 750216639 /nfs/dbraw/zinc/21/66/39/750216639.db2.gz CWZAFVXPJPUXDL-HOTGVXAUSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000980834088 750237512 /nfs/dbraw/zinc/23/75/12/750237512.db2.gz NNIDSGZNWFFCJN-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000980840008 750247474 /nfs/dbraw/zinc/24/74/74/750247474.db2.gz PSHJPWPYOPHHGN-ZDUSSCGKSA-N 1 1 349.435 0.401 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001027994294 750253715 /nfs/dbraw/zinc/25/37/15/750253715.db2.gz MGBNQQHIIPWBIN-LLVKDONJSA-N 1 1 325.390 0.145 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001059737264 750260303 /nfs/dbraw/zinc/26/03/03/750260303.db2.gz IRBUDIXUXYXXHZ-SOUVJXGZSA-N 1 1 342.447 0.807 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2snnc2C)C1 ZINC001149130086 750279638 /nfs/dbraw/zinc/27/96/38/750279638.db2.gz KIHPXKFVHRHBOX-ZDUSSCGKSA-N 1 1 338.433 0.317 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2snnc2C)C1 ZINC001149130086 750279639 /nfs/dbraw/zinc/27/96/39/750279639.db2.gz KIHPXKFVHRHBOX-ZDUSSCGKSA-N 1 1 338.433 0.317 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C(=O)[C@H](C)OC)CC1 ZINC000986795490 750360841 /nfs/dbraw/zinc/36/08/41/750360841.db2.gz HKEIWNBLIJJXDI-ZOBUZTSGSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C(=O)[C@H](C)OC)CC1 ZINC000986795490 750360847 /nfs/dbraw/zinc/36/08/47/750360847.db2.gz HKEIWNBLIJJXDI-ZOBUZTSGSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nncs3)[C@H]2C)nn1 ZINC000987130640 750515929 /nfs/dbraw/zinc/51/59/29/750515929.db2.gz ADAHAUNVGHSLRY-MNOVXSKESA-N 1 1 333.421 0.708 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)NC1=O ZINC001028075730 750519443 /nfs/dbraw/zinc/51/94/43/750519443.db2.gz BRRNWOWDBOMZDJ-HOTGVXAUSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)[nH]3)[C@H]2C)nn1 ZINC000987171596 750545194 /nfs/dbraw/zinc/54/51/94/750545194.db2.gz XGJVBSSEWYPRNZ-DGCLKSJQSA-N 1 1 344.423 0.674 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c(C)cnn2C)C1=O ZINC001028083139 750594383 /nfs/dbraw/zinc/59/43/83/750594383.db2.gz QBPQOLFXJAVSKD-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c(C)cnn2C)C1=O ZINC001028083139 750594384 /nfs/dbraw/zinc/59/43/84/750594384.db2.gz QBPQOLFXJAVSKD-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nccc(C)n2)CC1 ZINC000981361653 750625884 /nfs/dbraw/zinc/62/58/84/750625884.db2.gz XFKJLJQWZYHUPA-KRWDZBQOSA-N 1 1 341.459 0.917 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nccc(C)n2)CC1 ZINC000981361653 750625887 /nfs/dbraw/zinc/62/58/87/750625887.db2.gz XFKJLJQWZYHUPA-KRWDZBQOSA-N 1 1 341.459 0.917 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000981365516 750628365 /nfs/dbraw/zinc/62/83/65/750628365.db2.gz PCOSMFXEUGPOOG-HOCLYGCPSA-N 1 1 344.463 0.806 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000981365516 750628366 /nfs/dbraw/zinc/62/83/66/750628366.db2.gz PCOSMFXEUGPOOG-HOCLYGCPSA-N 1 1 344.463 0.806 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3nnn(C)n3)C2)cn1 ZINC000981467124 750710642 /nfs/dbraw/zinc/71/06/42/750710642.db2.gz GNUKNYISBONPQZ-LSDHHAIUSA-N 1 1 339.403 0.417 20 30 ECEDMO CN(C(=O)c1nnn(C)n1)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001005848920 750724582 /nfs/dbraw/zinc/72/45/82/750724582.db2.gz QLOADFXQZYQECB-UHFFFAOYSA-N 1 1 345.432 0.880 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001005945594 750830909 /nfs/dbraw/zinc/83/09/09/750830909.db2.gz NWBVYILSEXQAIU-LRDDRELGSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001005947939 750834183 /nfs/dbraw/zinc/83/41/83/750834183.db2.gz SSADRBSVBXZWMG-OLZOCXBDSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000987447425 750847284 /nfs/dbraw/zinc/84/72/84/750847284.db2.gz DEFPGKRIJNYXPY-ZLDLUXBVSA-N 1 1 329.404 0.700 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cncnc2)C1 ZINC001005958435 750852041 /nfs/dbraw/zinc/85/20/41/750852041.db2.gz SWYMCLPMASVVQZ-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cncnc2)C1 ZINC001005958435 750852048 /nfs/dbraw/zinc/85/20/48/750852048.db2.gz SWYMCLPMASVVQZ-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)c(F)c1 ZINC001028109606 750900512 /nfs/dbraw/zinc/90/05/12/750900512.db2.gz LIEXWHTYIFGMKE-ZFWWWQNUSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)c(F)c1 ZINC001028109606 750900514 /nfs/dbraw/zinc/90/05/14/750900514.db2.gz LIEXWHTYIFGMKE-ZFWWWQNUSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+][C@H](C)c2nc(CC)no2)nn1 ZINC001167848137 750964858 /nfs/dbraw/zinc/96/48/58/750964858.db2.gz PLXNAZHOHDUFGK-LLVKDONJSA-N 1 1 333.396 0.880 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3ccn(C)n3)[C@H]2C)CC1 ZINC000987575025 750976864 /nfs/dbraw/zinc/97/68/64/750976864.db2.gz HTTVUAGGINABNF-CRAIPNDOSA-N 1 1 343.475 0.844 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000981694057 750980068 /nfs/dbraw/zinc/98/00/68/750980068.db2.gz YJKOPYRXCHWSRH-CQSZACIVSA-N 1 1 329.391 0.510 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000981694057 750980072 /nfs/dbraw/zinc/98/00/72/750980072.db2.gz YJKOPYRXCHWSRH-CQSZACIVSA-N 1 1 329.391 0.510 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000981722295 751002285 /nfs/dbraw/zinc/00/22/85/751002285.db2.gz OPWICHLANINWAH-ZDUSSCGKSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC001006128657 751050422 /nfs/dbraw/zinc/05/04/22/751050422.db2.gz RXFGMXMNAMIZAG-ZFWWWQNUSA-N 1 1 340.427 0.591 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000987648600 751053046 /nfs/dbraw/zinc/05/30/46/751053046.db2.gz GYJBANQTAJOWLD-WWGRRREGSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(OC)nn3)C2)nn1 ZINC001105357935 751056077 /nfs/dbraw/zinc/05/60/77/751056077.db2.gz OLWCVCDAWNSWJH-UHFFFAOYSA-N 1 1 329.364 0.049 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)Cc3nnn(C(C)(C)C)n3)C2)C1 ZINC000981789688 751104948 /nfs/dbraw/zinc/10/49/48/751104948.db2.gz NHVUDQWGTHFPJY-UHFFFAOYSA-N 1 1 344.463 0.918 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC000981816225 751140802 /nfs/dbraw/zinc/14/08/02/751140802.db2.gz ROLKUIXKMDJHLK-UHFFFAOYSA-N 1 1 335.448 0.736 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)CO4)[C@@H]2C1 ZINC001075892336 751163112 /nfs/dbraw/zinc/16/31/12/751163112.db2.gz SHVCQNPEABHWIN-GXTWGEPZSA-N 1 1 325.368 0.797 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000981846389 751180966 /nfs/dbraw/zinc/18/09/66/751180966.db2.gz DEBUTUKBRFUQQS-UHFFFAOYSA-N 1 1 328.416 0.975 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000981853744 751202781 /nfs/dbraw/zinc/20/27/81/751202781.db2.gz UUQGSZVVBRHQOR-ZDUSSCGKSA-N 1 1 329.404 0.104 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC001028146487 751225626 /nfs/dbraw/zinc/22/56/26/751225626.db2.gz HNAUGWJRQQWVRB-KFWWJZLASA-N 1 1 349.431 0.307 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(S(N)(=O)=O)o3)C2)C1 ZINC000981871006 751226291 /nfs/dbraw/zinc/22/62/91/751226291.db2.gz MDAAILQCZMWJFZ-UHFFFAOYSA-N 1 1 339.417 0.651 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC000981876916 751228101 /nfs/dbraw/zinc/22/81/01/751228101.db2.gz DUZQCXZCPLTBLQ-UHFFFAOYSA-N 1 1 346.431 0.840 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cncnc2)C1 ZINC001006315372 751235439 /nfs/dbraw/zinc/23/54/39/751235439.db2.gz GNNRDTJFGUVGRH-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cncnc2)C1 ZINC001006315372 751235441 /nfs/dbraw/zinc/23/54/41/751235441.db2.gz GNNRDTJFGUVGRH-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]nc2C)C1 ZINC001006316133 751237323 /nfs/dbraw/zinc/23/73/23/751237323.db2.gz SCZIGAPJXOIQAC-LRDDRELGSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]nc2C)C1 ZINC001006316133 751237328 /nfs/dbraw/zinc/23/73/28/751237328.db2.gz SCZIGAPJXOIQAC-LRDDRELGSA-N 1 1 343.431 0.392 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981877950 751237953 /nfs/dbraw/zinc/23/79/53/751237953.db2.gz KEDRQAREQBMPTK-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981877949 751237968 /nfs/dbraw/zinc/23/79/68/751237968.db2.gz KEDRQAREQBMPTK-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2ccco2)C1 ZINC001006318371 751240480 /nfs/dbraw/zinc/24/04/80/751240480.db2.gz HZVUEHHYANNBSE-PBHICJAKSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2ccco2)C1 ZINC001006318371 751240485 /nfs/dbraw/zinc/24/04/85/751240485.db2.gz HZVUEHHYANNBSE-PBHICJAKSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CC2(O)CCC2)C1 ZINC001006319578 751241755 /nfs/dbraw/zinc/24/17/55/751241755.db2.gz MGTKZJOMRMEDPR-HOCLYGCPSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CC2(O)CCC2)C1 ZINC001006319578 751241760 /nfs/dbraw/zinc/24/17/60/751241760.db2.gz MGTKZJOMRMEDPR-HOCLYGCPSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc(C)on2)C1 ZINC001006319469 751241908 /nfs/dbraw/zinc/24/19/08/751241908.db2.gz LMOVDAPRPFIUSM-BBRMVZONSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc(C)on2)C1 ZINC001006319469 751241914 /nfs/dbraw/zinc/24/19/14/751241914.db2.gz LMOVDAPRPFIUSM-BBRMVZONSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(C)n2)C1 ZINC001006320902 751243170 /nfs/dbraw/zinc/24/31/70/751243170.db2.gz PVAPBZWVZOBIOW-LRDDRELGSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(C)n2)C1 ZINC001006320902 751243174 /nfs/dbraw/zinc/24/31/74/751243174.db2.gz PVAPBZWVZOBIOW-LRDDRELGSA-N 1 1 343.431 0.392 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000987828338 751243665 /nfs/dbraw/zinc/24/36/65/751243665.db2.gz ZSTZGGYCGKXWEI-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cccnc2)C1 ZINC001006321973 751243953 /nfs/dbraw/zinc/24/39/53/751243953.db2.gz SUPVFNIQVFVZCR-YOEHRIQHSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cccnc2)C1 ZINC001006321973 751243959 /nfs/dbraw/zinc/24/39/59/751243959.db2.gz SUPVFNIQVFVZCR-YOEHRIQHSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CC(C)(C)O)C1 ZINC001006321841 751244036 /nfs/dbraw/zinc/24/40/36/751244036.db2.gz SECWFFAJVDTUIV-ZFWWWQNUSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CC(C)(C)O)C1 ZINC001006321841 751244039 /nfs/dbraw/zinc/24/40/39/751244039.db2.gz SECWFFAJVDTUIV-ZFWWWQNUSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CC(C)(C)O)C1 ZINC001006321829 751244201 /nfs/dbraw/zinc/24/42/01/751244201.db2.gz SECWFFAJVDTUIV-HIFRSBDPSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CC(C)(C)O)C1 ZINC001006321829 751244205 /nfs/dbraw/zinc/24/42/05/751244205.db2.gz SECWFFAJVDTUIV-HIFRSBDPSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C[C@H]2CCOC2)C1 ZINC001006323683 751245985 /nfs/dbraw/zinc/24/59/85/751245985.db2.gz ZDPUVIPJQWQQLC-INMHGKMJSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C[C@H]2CCOC2)C1 ZINC001006323683 751245988 /nfs/dbraw/zinc/24/59/88/751245988.db2.gz ZDPUVIPJQWQQLC-INMHGKMJSA-N 1 1 347.459 0.474 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC000981887493 751249674 /nfs/dbraw/zinc/24/96/74/751249674.db2.gz HGOSAQGIVRFVRD-KRWDZBQOSA-N 1 1 336.436 0.675 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC000981887493 751249679 /nfs/dbraw/zinc/24/96/79/751249679.db2.gz HGOSAQGIVRFVRD-KRWDZBQOSA-N 1 1 336.436 0.675 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087435799 751309795 /nfs/dbraw/zinc/30/97/95/751309795.db2.gz HOHYIYMDOVPSNL-BZUAXINKSA-N 1 1 328.416 0.828 20 30 ECEDMO COCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1OC ZINC001211743924 752328192 /nfs/dbraw/zinc/32/81/92/752328192.db2.gz OTYVMHYHSXLABH-IAGOWNOFSA-N 1 1 347.415 0.941 20 30 ECEDMO COCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1OC ZINC001211743924 752328199 /nfs/dbraw/zinc/32/81/99/752328199.db2.gz OTYVMHYHSXLABH-IAGOWNOFSA-N 1 1 347.415 0.941 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001020945253 752372542 /nfs/dbraw/zinc/37/25/42/752372542.db2.gz CEOWJDXOSJBTIN-HAQNSBGRSA-N 1 1 327.344 0.527 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cncn3C)C2)nn1 ZINC001105368384 752469469 /nfs/dbraw/zinc/46/94/69/752469469.db2.gz UDEHUAIOENJMDY-UHFFFAOYSA-N 1 1 329.408 0.303 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nonc2C)C1 ZINC001007519662 752476803 /nfs/dbraw/zinc/47/68/03/752476803.db2.gz STXQPNQIVGDYBZ-HOCLYGCPSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nonc2C)C1 ZINC001007519662 752476811 /nfs/dbraw/zinc/47/68/11/752476811.db2.gz STXQPNQIVGDYBZ-HOCLYGCPSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NCc3ccn(C)n3)C2)CC1 ZINC001021093111 752533431 /nfs/dbraw/zinc/53/34/31/752533431.db2.gz ZYORRIPRFRDRJI-QAQDUYKDSA-N 1 1 329.448 0.502 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cnn(C)c3)C2)C1=O ZINC001028397090 752542429 /nfs/dbraw/zinc/54/24/29/752542429.db2.gz XUIGUOUFWZSFKO-UKRRQHHQSA-N 1 1 331.420 0.259 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cnn(C)c3C)C2)C1=O ZINC001028408850 752568103 /nfs/dbraw/zinc/56/81/03/752568103.db2.gz LRPMGKPCSHUYBC-GDBMZVCRSA-N 1 1 345.447 0.567 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)c1 ZINC001028412421 752582679 /nfs/dbraw/zinc/58/26/79/752582679.db2.gz MDHDTYQQMFPXGI-SJORKVTESA-N 1 1 329.400 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2csnn2)[C@@H]1C ZINC000988734582 752636202 /nfs/dbraw/zinc/63/62/02/752636202.db2.gz KTOSRNUQHQOYFT-DYEKYZERSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2csnn2)[C@@H]1C ZINC000988734582 752636205 /nfs/dbraw/zinc/63/62/05/752636205.db2.gz KTOSRNUQHQOYFT-DYEKYZERSA-N 1 1 347.444 0.355 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)c1 ZINC001021222019 752671363 /nfs/dbraw/zinc/67/13/63/752671363.db2.gz RKKNRHNDWGYIDE-NQKGRLOXSA-N 1 1 341.415 0.890 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cc1 ZINC001028448526 752684218 /nfs/dbraw/zinc/68/42/18/752684218.db2.gz IVXFXRRCIRFYSA-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1OC ZINC001212092670 752713045 /nfs/dbraw/zinc/71/30/45/752713045.db2.gz LWKWMEWQIGMMAS-ARFHVFGLSA-N 1 1 326.437 0.821 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(=O)N(C)C)nc1 ZINC001098246746 752724013 /nfs/dbraw/zinc/72/40/13/752724013.db2.gz RGXPKXQMKQSXKK-JFOHDYCDSA-N 1 1 340.427 0.875 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(=O)N(C)C)nc1 ZINC001098246746 752724016 /nfs/dbraw/zinc/72/40/16/752724016.db2.gz RGXPKXQMKQSXKK-JFOHDYCDSA-N 1 1 340.427 0.875 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000938042249 752741950 /nfs/dbraw/zinc/74/19/50/752741950.db2.gz YTRFLTLYYJQTII-CWRNSKLLSA-N 1 1 343.431 0.947 20 30 ECEDMO CCn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028488889 752824696 /nfs/dbraw/zinc/82/46/96/752824696.db2.gz JSAMBCRZWPHFQZ-LBPRGKRZSA-N 1 1 327.392 0.750 20 30 ECEDMO CCn1nncc1C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028488889 752824702 /nfs/dbraw/zinc/82/47/02/752824702.db2.gz JSAMBCRZWPHFQZ-LBPRGKRZSA-N 1 1 327.392 0.750 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cc(OC)no3)C2)C1=O ZINC001028492350 752838904 /nfs/dbraw/zinc/83/89/04/752838904.db2.gz LJXSPHYOSKZHAK-OLZOCXBDSA-N 1 1 348.403 0.522 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000982546931 752859670 /nfs/dbraw/zinc/85/96/70/752859670.db2.gz NKHCKLNQNIFALB-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001059934926 752957233 /nfs/dbraw/zinc/95/72/33/752957233.db2.gz XMQHUHZOPDDEOP-LSDHHAIUSA-N 1 1 336.436 0.223 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@@]2(C)C1 ZINC000982580802 752976059 /nfs/dbraw/zinc/97/60/59/752976059.db2.gz ZIGMMVZFPCLVPX-OLMNPRSZSA-N 1 1 344.463 0.982 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@]2(C)C1 ZINC000982597625 753022007 /nfs/dbraw/zinc/02/20/07/753022007.db2.gz AUXRLJAOUSQFGF-AFAVFJNCSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC000982613931 753043394 /nfs/dbraw/zinc/04/33/94/753043394.db2.gz WNSRLTMULFEYRD-RDJZCZTQSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC000982613931 753043398 /nfs/dbraw/zinc/04/33/98/753043398.db2.gz WNSRLTMULFEYRD-RDJZCZTQSA-N 1 1 342.443 0.999 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)ccc1F ZINC001028520169 753047764 /nfs/dbraw/zinc/04/77/64/753047764.db2.gz XZGGYOGDQJBDKL-WFASDCNBSA-N 1 1 346.362 0.744 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(C)nn3)C2)C1=O ZINC001028534720 753083234 /nfs/dbraw/zinc/08/32/34/753083234.db2.gz FEVOCRGXKZGTEN-GOEBONIOSA-N 1 1 343.431 0.624 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001059942681 753087113 /nfs/dbraw/zinc/08/71/13/753087113.db2.gz ZNSRTICYGGMTSS-YJBOKZPZSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1C ZINC001105845456 762185417 /nfs/dbraw/zinc/18/54/17/762185417.db2.gz KZQOFBSJXXNAKF-MGPQQGTHSA-N 1 1 347.463 0.961 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@]3(C)C[N@H+](CCCO)C[C@]3(C)C2)nn1 ZINC000982631197 753130052 /nfs/dbraw/zinc/13/00/52/753130052.db2.gz UUNGUDZLXYTAGY-CALCHBBNSA-N 1 1 333.436 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000989066250 753203924 /nfs/dbraw/zinc/20/39/24/753203924.db2.gz VRJPFNLIXBPYOL-TXPKVOOTSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000989066250 753203928 /nfs/dbraw/zinc/20/39/28/753203928.db2.gz VRJPFNLIXBPYOL-TXPKVOOTSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000989066221 753204060 /nfs/dbraw/zinc/20/40/60/753204060.db2.gz NPCATPQMLHMZGV-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000989066221 753204067 /nfs/dbraw/zinc/20/40/67/753204067.db2.gz NPCATPQMLHMZGV-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001008064123 753261375 /nfs/dbraw/zinc/26/13/75/753261375.db2.gz SMIRSXWCFJDDHS-ZIAGYGMSSA-N 1 1 329.391 0.556 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001008064123 753261377 /nfs/dbraw/zinc/26/13/77/753261377.db2.gz SMIRSXWCFJDDHS-ZIAGYGMSSA-N 1 1 329.391 0.556 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2ccccc2C#N)C1 ZINC001051493090 762199644 /nfs/dbraw/zinc/19/96/44/762199644.db2.gz HIUUIAQUSJOQIW-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCc2ccccc2C#N)C1 ZINC001051493090 762199646 /nfs/dbraw/zinc/19/96/46/762199646.db2.gz HIUUIAQUSJOQIW-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1 ZINC001008076407 753279814 /nfs/dbraw/zinc/27/98/14/753279814.db2.gz OMQFADLVIZUXDR-SWLSCSKDSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001087462204 753405136 /nfs/dbraw/zinc/40/51/36/753405136.db2.gz YMOVJFWEGPFAOE-HZPDHXFCSA-N 1 1 342.378 0.420 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001087462204 753405140 /nfs/dbraw/zinc/40/51/40/753405140.db2.gz YMOVJFWEGPFAOE-HZPDHXFCSA-N 1 1 342.378 0.420 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001008177038 753425223 /nfs/dbraw/zinc/42/52/23/753425223.db2.gz PELZTFJZEIKBQC-CVEARBPZSA-N 1 1 341.415 0.662 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@]2(C)C1 ZINC000982729594 753429585 /nfs/dbraw/zinc/42/95/85/753429585.db2.gz ZXETUOAGTOUMBP-HDICACEKSA-N 1 1 348.447 0.627 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001008229586 753486966 /nfs/dbraw/zinc/48/69/66/753486966.db2.gz LHRCMVILVYUVJL-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001008229586 753486970 /nfs/dbraw/zinc/48/69/70/753486970.db2.gz LHRCMVILVYUVJL-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@]2(C)C1 ZINC000982771794 753515477 /nfs/dbraw/zinc/51/54/77/753515477.db2.gz BJTUOSQGFFBOCF-HDICACEKSA-N 1 1 345.447 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)CC1(C)C ZINC001008276414 753539448 /nfs/dbraw/zinc/53/94/48/753539448.db2.gz KNKDCJAJVCRMFL-UONOGXRCSA-N 1 1 345.403 0.134 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)CC1(C)C ZINC001008276414 753539453 /nfs/dbraw/zinc/53/94/53/753539453.db2.gz KNKDCJAJVCRMFL-UONOGXRCSA-N 1 1 345.403 0.134 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000982785274 753556255 /nfs/dbraw/zinc/55/62/55/753556255.db2.gz ZGLADANOQIRBIM-HOCLYGCPSA-N 1 1 340.427 0.593 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(=O)n(C)n3)C[C@@]2(C)C1 ZINC000982783237 753558390 /nfs/dbraw/zinc/55/83/90/753558390.db2.gz TZBSAQFEHIXGGM-HDICACEKSA-N 1 1 328.416 0.588 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC001008296227 753564345 /nfs/dbraw/zinc/56/43/45/753564345.db2.gz QKIVRTCXHHEWKV-RISCZKNCSA-N 1 1 347.419 0.863 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)nn1 ZINC001098681045 753608917 /nfs/dbraw/zinc/60/89/17/753608917.db2.gz NLEVXRFEWSLOCS-UKRRQHHQSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)c1[nH]nnc1C)CCO2 ZINC001105475629 753612823 /nfs/dbraw/zinc/61/28/23/753612823.db2.gz FUZASXLTUADFPI-UHFFFAOYSA-N 1 1 331.420 0.880 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)nn1 ZINC001098649054 753634409 /nfs/dbraw/zinc/63/44/09/753634409.db2.gz KANVNUAHFSBEHN-HZPDHXFCSA-N 1 1 348.451 0.048 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001008362970 753657842 /nfs/dbraw/zinc/65/78/42/753657842.db2.gz CDFFXXVKKCYDCW-CABCVRRESA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001008362970 753657846 /nfs/dbraw/zinc/65/78/46/753657846.db2.gz CDFFXXVKKCYDCW-CABCVRRESA-N 1 1 327.388 0.320 20 30 ECEDMO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001059969956 753681204 /nfs/dbraw/zinc/68/12/04/753681204.db2.gz RUMABYQSQIZAQA-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685181 753763229 /nfs/dbraw/zinc/76/32/29/753763229.db2.gz ASTPHTANERSXCT-JKSUJKDBSA-N 1 1 332.452 0.811 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001087464500 753792219 /nfs/dbraw/zinc/79/22/19/753792219.db2.gz MKVFJRMNWPOFSH-BZUAXINKSA-N 1 1 345.374 0.841 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001087464500 753792223 /nfs/dbraw/zinc/79/22/23/753792223.db2.gz MKVFJRMNWPOFSH-BZUAXINKSA-N 1 1 345.374 0.841 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)c1 ZINC001083392605 753794604 /nfs/dbraw/zinc/79/46/04/753794604.db2.gz QPNDZECIDPJATA-WQVCFCJDSA-N 1 1 332.404 0.478 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C2)nn1 ZINC001105375590 753811937 /nfs/dbraw/zinc/81/19/37/753811937.db2.gz IDXPOOPFCZEIJZ-LRDDRELGSA-N 1 1 348.451 0.488 20 30 ECEDMO C#CC[NH2+]CC1(CCNC(=O)C(C)(C)NC(=O)C(F)(F)F)CC1 ZINC001168282784 753877709 /nfs/dbraw/zinc/87/77/09/753877709.db2.gz HPHNEMDKRZUKGO-UHFFFAOYSA-N 1 1 333.354 0.953 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC001008560080 753914534 /nfs/dbraw/zinc/91/45/34/753914534.db2.gz RDGDLYPWOAEJAA-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001008560080 753914543 /nfs/dbraw/zinc/91/45/43/753914543.db2.gz RDGDLYPWOAEJAA-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3c(C)ncn3C)C2)C1=O ZINC001028609781 753914971 /nfs/dbraw/zinc/91/49/71/753914971.db2.gz URCMSUYFASSDIB-LSDHHAIUSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1cnc(C#N)cn1 ZINC001105599008 753962966 /nfs/dbraw/zinc/96/29/66/753962966.db2.gz AZYWERJRGUOPTD-HNNXBMFYSA-N 1 1 326.404 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1cnc(C#N)cn1 ZINC001105599008 753962968 /nfs/dbraw/zinc/96/29/68/753962968.db2.gz AZYWERJRGUOPTD-HNNXBMFYSA-N 1 1 326.404 0.340 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982855767 754005639 /nfs/dbraw/zinc/00/56/39/754005639.db2.gz VYCNQGXJRZWNRI-XWIAVFTESA-N 1 1 331.416 0.233 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989480598 754015917 /nfs/dbraw/zinc/01/59/17/754015917.db2.gz IYJZBQSPIWSXFZ-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C[C@@H](CCNC(=O)CSCC#N)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001075678138 754016200 /nfs/dbraw/zinc/01/62/00/754016200.db2.gz NIKWRAYQZFDUPO-STQMWFEESA-N 1 1 326.466 0.738 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cnn(C)n3)C[C@H]2C)nn1 ZINC000989544733 754093698 /nfs/dbraw/zinc/09/36/98/754093698.db2.gz WVRXFVSTEZVEHI-CHWSQXEVSA-N 1 1 344.423 0.376 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC000989564784 754119340 /nfs/dbraw/zinc/11/93/40/754119340.db2.gz OPTHGJGLTKMFEL-UHFFFAOYSA-N 1 1 339.439 0.977 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC000989564784 754119346 /nfs/dbraw/zinc/11/93/46/754119346.db2.gz OPTHGJGLTKMFEL-UHFFFAOYSA-N 1 1 339.439 0.977 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001105866894 762275082 /nfs/dbraw/zinc/27/50/82/762275082.db2.gz MFYJENHFYKLPKA-LBPRGKRZSA-N 1 1 332.339 0.187 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+]Cc3nncs3)C2)c1 ZINC001051524027 762275109 /nfs/dbraw/zinc/27/51/09/762275109.db2.gz OSUIEURYJOWQNM-NSHDSACASA-N 1 1 332.389 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2[nH]ccc2C)C1 ZINC000982924502 754210533 /nfs/dbraw/zinc/21/05/33/754210533.db2.gz YIMAVYGAYBFUFD-CVEARBPZSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2[nH]ccc2C)C1 ZINC000982924502 754210541 /nfs/dbraw/zinc/21/05/41/754210541.db2.gz YIMAVYGAYBFUFD-CVEARBPZSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000982978420 754349631 /nfs/dbraw/zinc/34/96/31/754349631.db2.gz XFTDKDUDGHRHIC-CABCVRRESA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000982978420 754349636 /nfs/dbraw/zinc/34/96/36/754349636.db2.gz XFTDKDUDGHRHIC-CABCVRRESA-N 1 1 343.431 0.394 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC000989730996 754359496 /nfs/dbraw/zinc/35/94/96/754359496.db2.gz SQGISJLMZUNESG-XJKSGUPXSA-N 1 1 338.415 0.513 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000982993968 754379238 /nfs/dbraw/zinc/37/92/38/754379238.db2.gz KORAYECPRRYSJY-CYBMUJFWSA-N 1 1 340.387 0.670 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001008986469 754388674 /nfs/dbraw/zinc/38/86/74/754388674.db2.gz PFKMLEZSPUYEKK-KBPBESRZSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001008986469 754388680 /nfs/dbraw/zinc/38/86/80/754388680.db2.gz PFKMLEZSPUYEKK-KBPBESRZSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cncn3C)C2)C1=O ZINC001028667538 754464371 /nfs/dbraw/zinc/46/43/71/754464371.db2.gz PXPHCDRXGJDLKH-ZIAGYGMSSA-N 1 1 331.420 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2csnn2)C1 ZINC000983028904 754466154 /nfs/dbraw/zinc/46/61/54/754466154.db2.gz XHPBABSZIBOTDE-OCCSQVGLSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2csnn2)C1 ZINC000983028904 754466159 /nfs/dbraw/zinc/46/61/59/754466159.db2.gz XHPBABSZIBOTDE-OCCSQVGLSA-N 1 1 347.444 0.214 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cn(C)cn4)[C@@H]3C2)C1=O ZINC001075687538 754493128 /nfs/dbraw/zinc/49/31/28/754493128.db2.gz UGKCVSOIORSGFX-NUEKZKHPSA-N 1 1 343.431 0.353 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000983052391 754513032 /nfs/dbraw/zinc/51/30/32/754513032.db2.gz TZGHPNZFLRWIIP-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)CC[N@H+]1C ZINC001009112402 754546055 /nfs/dbraw/zinc/54/60/55/754546055.db2.gz KWIJMJNYRJPOAK-NHMWIVBRSA-N 1 1 329.444 0.561 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001009121204 754552413 /nfs/dbraw/zinc/55/24/13/754552413.db2.gz HEAJNHPZQOMLQT-AWEZNQCLSA-N 1 1 333.436 0.538 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001009121205 754552460 /nfs/dbraw/zinc/55/24/60/754552460.db2.gz HEAJNHPZQOMLQT-CQSZACIVSA-N 1 1 333.436 0.538 20 30 ECEDMO CCOC(=O)C1CCN(C(NC[C@@H]2CN(C)CCN2C)=[NH+]C)CC1 ZINC000088665115 754574734 /nfs/dbraw/zinc/57/47/34/754574734.db2.gz ZTYORFOTFGDJSS-OAHLLOKOSA-N 1 1 339.484 0.083 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000983089866 754599368 /nfs/dbraw/zinc/59/93/68/754599368.db2.gz BWNMZYJNZSHJCH-HNNXBMFYSA-N 1 1 331.420 0.486 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001009221213 754672176 /nfs/dbraw/zinc/67/21/76/754672176.db2.gz JKXAZFKAQCNSSH-DOERSZECSA-N 1 1 345.403 0.330 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001105873821 762323346 /nfs/dbraw/zinc/32/33/46/762323346.db2.gz WEVXXIPBADDNQB-UKRRQHHQSA-N 1 1 349.410 0.856 20 30 ECEDMO CCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC001051554381 762328232 /nfs/dbraw/zinc/32/82/32/762328232.db2.gz DIWWUZOKOTYGMW-ZDUSSCGKSA-N 1 1 343.391 0.129 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H]2CCNC2=O)CC3)c1 ZINC000990159875 754785611 /nfs/dbraw/zinc/78/56/11/754785611.db2.gz GBSWSHHWHWZNNS-CPUCHLNUSA-N 1 1 327.388 0.502 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)c1 ZINC000990160818 754786138 /nfs/dbraw/zinc/78/61/38/754786138.db2.gz KVJCGBWPSOURMR-NVXWUHKLSA-N 1 1 339.403 0.905 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990165915 754794970 /nfs/dbraw/zinc/79/49/70/754794970.db2.gz ZBXTWWFVBDWNMQ-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001028714749 754807971 /nfs/dbraw/zinc/80/79/71/754807971.db2.gz WOUDQZDHXNAXDT-ZDUSSCGKSA-N 1 1 329.404 0.959 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 ZINC001098688320 754856865 /nfs/dbraw/zinc/85/68/65/754856865.db2.gz MCWXADNKTVYMSA-CQSZACIVSA-N 1 1 333.440 0.395 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001009418163 754865598 /nfs/dbraw/zinc/86/55/98/754865598.db2.gz MUBNCNUUVNDUKM-CQSZACIVSA-N 1 1 326.404 0.959 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001009418163 754865600 /nfs/dbraw/zinc/86/56/00/754865600.db2.gz MUBNCNUUVNDUKM-CQSZACIVSA-N 1 1 326.404 0.959 20 30 ECEDMO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC001051561719 762342565 /nfs/dbraw/zinc/34/25/65/762342565.db2.gz BYVKZIPFVVWDEA-AWEZNQCLSA-N 1 1 329.360 0.814 20 30 ECEDMO Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)co1 ZINC001051562007 762343500 /nfs/dbraw/zinc/34/35/00/762343500.db2.gz DQLZDRGBDKCXJW-OAHLLOKOSA-N 1 1 329.360 0.814 20 30 ECEDMO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1=O ZINC001028749562 754965332 /nfs/dbraw/zinc/96/53/32/754965332.db2.gz LGKUZSYLIVSIBM-PBHICJAKSA-N 1 1 340.427 0.975 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2ncnc3nc[nH]c32)C1 ZINC001059106728 754975760 /nfs/dbraw/zinc/97/57/60/754975760.db2.gz MKANZPRSYVJKDK-STQMWFEESA-N 1 1 339.403 0.463 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001028772638 755059979 /nfs/dbraw/zinc/05/99/79/755059979.db2.gz DWWUJIFBSNCDEN-IUODEOHRSA-N 1 1 345.378 0.317 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001009639687 755109382 /nfs/dbraw/zinc/10/93/82/755109382.db2.gz ZIVXQALTUVUYIG-ZDUSSCGKSA-N 1 1 334.424 0.137 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000983307843 755126244 /nfs/dbraw/zinc/12/62/44/755126244.db2.gz YBTBZUXMYKYYJV-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F ZINC001028807703 755192839 /nfs/dbraw/zinc/19/28/39/755192839.db2.gz QAJRPZZHGXAQRN-YUELXQCFSA-N 1 1 344.390 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCN3C)C2)C1=O ZINC000983324101 755212683 /nfs/dbraw/zinc/21/26/83/755212683.db2.gz ZHXKXVZKOVDZDC-KLHDSHLOSA-N 1 1 334.464 0.352 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnc3sccn3c2=O)[C@H]1C ZINC001088719577 755214789 /nfs/dbraw/zinc/21/47/89/755214789.db2.gz GIZNDYXTRURLMB-YPMHNXCESA-N 1 1 330.413 0.972 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)SC ZINC001075717498 755274386 /nfs/dbraw/zinc/27/43/86/755274386.db2.gz FXKTUACVEDIZRH-MJBXVCDLSA-N 1 1 325.478 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)SC ZINC001075717498 755274393 /nfs/dbraw/zinc/27/43/93/755274393.db2.gz FXKTUACVEDIZRH-MJBXVCDLSA-N 1 1 325.478 0.847 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C ZINC001088725345 755277142 /nfs/dbraw/zinc/27/71/42/755277142.db2.gz QAANHBKPSHKHEM-KGLIPLIRSA-N 1 1 332.404 0.106 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nccn3CC)C2)nn1 ZINC001028850656 755304369 /nfs/dbraw/zinc/30/43/69/755304369.db2.gz ANAQFIYWMJAHRA-CQSZACIVSA-N 1 1 343.435 0.932 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nccn3CC)C2)nn1 ZINC001028850656 755304373 /nfs/dbraw/zinc/30/43/73/755304373.db2.gz ANAQFIYWMJAHRA-CQSZACIVSA-N 1 1 343.435 0.932 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)nn1 ZINC001028851654 755309143 /nfs/dbraw/zinc/30/91/43/755309143.db2.gz SPKSWPFCSYIIFY-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000990518612 755315272 /nfs/dbraw/zinc/31/52/72/755315272.db2.gz OXTLESUOVKQQSL-OAHLLOKOSA-N 1 1 342.399 0.128 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nccn3C)C2)nn1 ZINC001028855227 755317599 /nfs/dbraw/zinc/31/75/99/755317599.db2.gz XSINGQCKJZNMJZ-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nccn3C)C2)nn1 ZINC001028855227 755317602 /nfs/dbraw/zinc/31/76/02/755317602.db2.gz XSINGQCKJZNMJZ-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCc3cncnc3)C2)nn1 ZINC001098690809 755326851 /nfs/dbraw/zinc/32/68/51/755326851.db2.gz SZGXICXBNAKCBV-MRXNPFEDSA-N 1 1 341.419 0.750 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001028862464 755330875 /nfs/dbraw/zinc/33/08/75/755330875.db2.gz SETWJNLTFPXXCP-VYDXJSESSA-N 1 1 335.448 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000983358425 755389611 /nfs/dbraw/zinc/38/96/11/755389611.db2.gz NIDLGIVLOLKBNM-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000983358425 755389617 /nfs/dbraw/zinc/38/96/17/755389617.db2.gz NIDLGIVLOLKBNM-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001028898403 755430166 /nfs/dbraw/zinc/43/01/66/755430166.db2.gz CGWYNTSATHXQOZ-HUUCEWRRSA-N 1 1 333.436 0.942 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)[C@@H]2C1 ZINC001075971655 755532336 /nfs/dbraw/zinc/53/23/36/755532336.db2.gz HKMGUZNQRHATDU-SMDDNHRTSA-N 1 1 325.372 0.833 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@@H]1C(C)C ZINC001105666000 755534404 /nfs/dbraw/zinc/53/44/04/755534404.db2.gz CAJLJIPBXBYSJS-XYVMCAHJSA-N 1 1 336.480 0.818 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]2O)CC[N@H+]1C ZINC001083472507 755592446 /nfs/dbraw/zinc/59/24/46/755592446.db2.gz BGJGJIZXVSODFI-MPESAESLSA-N 1 1 348.472 0.621 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001040284995 755624817 /nfs/dbraw/zinc/62/48/17/755624817.db2.gz ZRNPBBQRKRWUNF-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001040284995 755624820 /nfs/dbraw/zinc/62/48/20/755624820.db2.gz ZRNPBBQRKRWUNF-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000990708250 755679001 /nfs/dbraw/zinc/67/90/01/755679001.db2.gz HHEINXGXBVZQBI-AWEZNQCLSA-N 1 1 343.431 0.805 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn(C)c3N)C2)nn1 ZINC001098659438 755819552 /nfs/dbraw/zinc/81/95/52/755819552.db2.gz PHJYIURKPQXPJA-CYBMUJFWSA-N 1 1 344.423 0.347 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc3c2oc(=O)n3C)[C@@H](O)C1 ZINC001083522755 755888578 /nfs/dbraw/zinc/88/85/78/755888578.db2.gz VWOFFANPVHIJMD-HIFRSBDPSA-N 1 1 345.399 0.873 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001060088204 755920418 /nfs/dbraw/zinc/92/04/18/755920418.db2.gz XCEBFPUAMMDDOD-GJZGRUSLSA-N 1 1 342.447 0.905 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001060088203 755920469 /nfs/dbraw/zinc/92/04/69/755920469.db2.gz XCEBFPUAMMDDOD-CABCVRRESA-N 1 1 342.447 0.905 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1O ZINC001083535658 755975067 /nfs/dbraw/zinc/97/50/67/755975067.db2.gz DMWTUWBREZSDFK-SQNIBIBYSA-N 1 1 342.443 0.149 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1O ZINC001083535658 755975072 /nfs/dbraw/zinc/97/50/72/755975072.db2.gz DMWTUWBREZSDFK-SQNIBIBYSA-N 1 1 342.443 0.149 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC3CCOCC3)C2)C1=O ZINC001010403729 756086488 /nfs/dbraw/zinc/08/64/88/756086488.db2.gz VJIDYCFUJKURIF-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC3CCOCC3)C2)C1=O ZINC001010403729 756086494 /nfs/dbraw/zinc/08/64/94/756086494.db2.gz VJIDYCFUJKURIF-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001060103736 756167427 /nfs/dbraw/zinc/16/74/27/756167427.db2.gz GSQALZXTFDLQNR-LSDHHAIUSA-N 1 1 342.447 0.905 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC001076180713 756179397 /nfs/dbraw/zinc/17/93/97/756179397.db2.gz CUUNEELHESBDMA-JKIFEVAISA-N 1 1 327.432 0.476 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076196611 756203069 /nfs/dbraw/zinc/20/30/69/756203069.db2.gz LXUGDQPRBLIDJD-HRCADAONSA-N 1 1 339.399 0.272 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076196611 756203072 /nfs/dbraw/zinc/20/30/72/756203072.db2.gz LXUGDQPRBLIDJD-HRCADAONSA-N 1 1 339.399 0.272 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001010618418 756312668 /nfs/dbraw/zinc/31/26/68/756312668.db2.gz AXMIXXLPBPOXGP-CVEARBPZSA-N 1 1 328.416 0.602 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001010618418 756312674 /nfs/dbraw/zinc/31/26/74/756312674.db2.gz AXMIXXLPBPOXGP-CVEARBPZSA-N 1 1 328.416 0.602 20 30 ECEDMO O=C(C#CC1CC1)N1CCO[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001051609281 762458656 /nfs/dbraw/zinc/45/86/56/762458656.db2.gz QNYCRKKODNLUQB-AWEZNQCLSA-N 1 1 329.404 0.413 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)c[nH]1 ZINC001010672319 756379272 /nfs/dbraw/zinc/37/92/72/756379272.db2.gz VTLOSBJIMUQODS-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)ccn3C)C2)C1=O ZINC001010765606 756496975 /nfs/dbraw/zinc/49/69/75/756496975.db2.gz DPVYQBVBSIYMME-LSDHHAIUSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)ccn3C)C2)C1=O ZINC001010765606 756496977 /nfs/dbraw/zinc/49/69/77/756496977.db2.gz DPVYQBVBSIYMME-LSDHHAIUSA-N 1 1 330.432 0.925 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(=O)NC)nc3)[C@@H]2C1 ZINC001076472863 756558146 /nfs/dbraw/zinc/55/81/46/756558146.db2.gz YAYJZWLGOFOPBQ-GOEBONIOSA-N 1 1 326.400 0.611 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cn(C)nn3)C2)cc1C#N ZINC001010852283 756601642 /nfs/dbraw/zinc/60/16/42/756601642.db2.gz MTUUFOOJNINDHF-AWEZNQCLSA-N 1 1 340.387 0.700 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cn(C)nn3)C2)cc1C#N ZINC001010852283 756601645 /nfs/dbraw/zinc/60/16/45/756601645.db2.gz MTUUFOOJNINDHF-AWEZNQCLSA-N 1 1 340.387 0.700 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1c1ccc(C#N)nn1 ZINC001060123332 756609843 /nfs/dbraw/zinc/60/98/43/756609843.db2.gz HRTLFHDASIAQBQ-GJZGRUSLSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076529896 756615417 /nfs/dbraw/zinc/61/54/17/756615417.db2.gz PYGOHVKUPLIWMN-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076529896 756615418 /nfs/dbraw/zinc/61/54/18/756615418.db2.gz PYGOHVKUPLIWMN-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)[C@@H]2C1 ZINC001076566208 756650964 /nfs/dbraw/zinc/65/09/64/756650964.db2.gz QHKWEGOSRYZBQJ-GOEBONIOSA-N 1 1 328.416 0.898 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CSC)C[C@]2(C)C1 ZINC001101114819 756726397 /nfs/dbraw/zinc/72/63/97/756726397.db2.gz FEIOWGQTBVTJEK-IOASZLSFSA-N 1 1 325.478 0.820 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccn(C)c2)CC1 ZINC001010997361 756740238 /nfs/dbraw/zinc/74/02/38/756740238.db2.gz OLPWXZFURXUDIO-INIZCTEOSA-N 1 1 328.416 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccn(C)c2)CC1 ZINC001010997361 756740240 /nfs/dbraw/zinc/74/02/40/756740240.db2.gz OLPWXZFURXUDIO-INIZCTEOSA-N 1 1 328.416 0.407 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001051620240 762491759 /nfs/dbraw/zinc/49/17/59/762491759.db2.gz PFBRFZLAZBIVJD-KFWWJZLASA-N 1 1 349.435 0.411 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011027026 756788910 /nfs/dbraw/zinc/78/89/10/756788910.db2.gz RRGGMVGZVDNIAW-UHFFFAOYSA-N 1 1 326.360 0.376 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2nccnc2C#N)C1 ZINC001060128940 756809235 /nfs/dbraw/zinc/80/92/35/756809235.db2.gz CBZVNILKCJARIQ-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2nccnc2C#N)C1 ZINC001060128940 756809239 /nfs/dbraw/zinc/80/92/39/756809239.db2.gz CBZVNILKCJARIQ-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ncccc2C#N)C1 ZINC001060129910 756825628 /nfs/dbraw/zinc/82/56/28/756825628.db2.gz XOOIAQGUWTVXDR-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ncccc2C#N)C1 ZINC001060129910 756825633 /nfs/dbraw/zinc/82/56/33/756825633.db2.gz XOOIAQGUWTVXDR-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)c[nH]1 ZINC000990929306 756894901 /nfs/dbraw/zinc/89/49/01/756894901.db2.gz QBDNRSWTIGOVEU-JKSUJKDBSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001011154643 757047115 /nfs/dbraw/zinc/04/71/15/757047115.db2.gz BENRWVSCLZSRAF-AWEZNQCLSA-N 1 1 346.435 0.090 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nn1 ZINC001011155100 757048199 /nfs/dbraw/zinc/04/81/99/757048199.db2.gz BFYMWMIYLQBJNA-ZIAGYGMSSA-N 1 1 346.435 0.089 20 30 ECEDMO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](CC[C@H]3CCCO3)C2)nn1 ZINC001107149608 757051498 /nfs/dbraw/zinc/05/14/98/757051498.db2.gz KPYANJAGPSZRML-SWLSCSKDSA-N 1 1 332.408 0.480 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001048806937 757058038 /nfs/dbraw/zinc/05/80/38/757058038.db2.gz JNTTUFLHBNHXLV-JYJNAYRXSA-N 1 1 335.448 0.160 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]2C1 ZINC001048810207 757067914 /nfs/dbraw/zinc/06/79/14/757067914.db2.gz IKAWQKYGFAUSJT-CALCHBBNSA-N 1 1 329.444 0.803 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cnn(CCOC)c3C)C[C@H]2C1 ZINC001048820419 757102403 /nfs/dbraw/zinc/10/24/03/757102403.db2.gz PRVNNFXNXJAOGC-IYBDPMFKSA-N 1 1 330.432 0.865 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001048827967 757124350 /nfs/dbraw/zinc/12/43/50/757124350.db2.gz ASDONAUJROTZFG-IKGGRYGDSA-N 1 1 347.459 0.304 20 30 ECEDMO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048832185 757134934 /nfs/dbraw/zinc/13/49/34/757134934.db2.gz DZTVIERYCBKKNS-JYJNAYRXSA-N 1 1 349.475 0.408 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cnc4cc[nH]cc-4c3=O)C[C@H]2C1 ZINC001048844031 757158126 /nfs/dbraw/zinc/15/81/26/757158126.db2.gz XSFKUYSUKXHJQC-OKILXGFUSA-N 1 1 336.395 0.950 20 30 ECEDMO COC[C@H](C)[NH+]1CC(n2cc(CNC(=O)C#CC(C)(C)C)nn2)C1 ZINC001107170811 757210447 /nfs/dbraw/zinc/21/04/47/757210447.db2.gz DHEAUPQOWKCCRI-ZDUSSCGKSA-N 1 1 333.436 0.835 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1O ZINC001076812746 757257716 /nfs/dbraw/zinc/25/77/16/757257716.db2.gz SALVYSPFGQVQMG-IXDOHACOSA-N 1 1 346.406 0.453 20 30 ECEDMO C#CCN1CC(n2cc(CNC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC001107179266 757294480 /nfs/dbraw/zinc/29/44/80/757294480.db2.gz GLKFRRKEGSXNQK-INIZCTEOSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N[C@H](CC(C)C)C3)C[C@H]2C1 ZINC001048911259 757367645 /nfs/dbraw/zinc/36/76/45/757367645.db2.gz ARWKOULPCVEHFA-MWDXBVQZSA-N 1 1 331.460 0.951 20 30 ECEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1O ZINC001048912858 757380464 /nfs/dbraw/zinc/38/04/64/757380464.db2.gz OIRRTCDLLBTIQT-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCCC(=O)N3)nn2)C1 ZINC001107184366 757416956 /nfs/dbraw/zinc/41/69/56/757416956.db2.gz KAHCNBLRGWTZPN-CYBMUJFWSA-N 1 1 346.435 0.386 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc4nnnn4c3)C[C@H]2C1 ZINC001048933051 757450237 /nfs/dbraw/zinc/45/02/37/757450237.db2.gz KIOWWFIEMNOIDK-BETUJISGSA-N 1 1 332.795 0.881 20 30 ECEDMO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001048941011 757473707 /nfs/dbraw/zinc/47/37/07/757473707.db2.gz DWUPLJBPKAUBAY-WCVJEAGWSA-N 1 1 337.464 0.713 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC001011314885 757491185 /nfs/dbraw/zinc/49/11/85/757491185.db2.gz QMUFHYQSCCSMTA-HOTGVXAUSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC001011314885 757491190 /nfs/dbraw/zinc/49/11/90/757491190.db2.gz QMUFHYQSCCSMTA-HOTGVXAUSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](OC)C2CCC2)CC1 ZINC001011314821 757491250 /nfs/dbraw/zinc/49/12/50/757491250.db2.gz MTRXOVZOSKRQAL-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](OC)C2CCC2)CC1 ZINC001011314821 757491252 /nfs/dbraw/zinc/49/12/52/757491252.db2.gz MTRXOVZOSKRQAL-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001011315078 757491372 /nfs/dbraw/zinc/49/13/72/757491372.db2.gz YABXXDIVCHBUEZ-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)[nH]1 ZINC001076898494 757517047 /nfs/dbraw/zinc/51/70/47/757517047.db2.gz LSQRPAZSEJCDHN-IAGOWNOFSA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)[nH]1 ZINC001076898494 757517052 /nfs/dbraw/zinc/51/70/52/757517052.db2.gz LSQRPAZSEJCDHN-IAGOWNOFSA-N 1 1 335.367 0.733 20 30 ECEDMO CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)C1CCCC1 ZINC001076898682 757517756 /nfs/dbraw/zinc/51/77/56/757517756.db2.gz VNCHMJWRULYXNZ-BRWVUGGUSA-N 1 1 346.431 0.866 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cncc(-n4ccnn4)c3)C[C@H]2C1 ZINC001048960618 757521734 /nfs/dbraw/zinc/52/17/34/757521734.db2.gz GKRGUTGKSLONCK-IYBDPMFKSA-N 1 1 336.399 0.689 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O)n1cncn1 ZINC001076904158 757551912 /nfs/dbraw/zinc/55/19/12/757551912.db2.gz JOFMHEBWHYEJQT-APHBMKBZSA-N 1 1 340.387 0.072 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O)n1cncn1 ZINC001076904158 757551913 /nfs/dbraw/zinc/55/19/13/757551913.db2.gz JOFMHEBWHYEJQT-APHBMKBZSA-N 1 1 340.387 0.072 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC001021567403 757610147 /nfs/dbraw/zinc/61/01/47/757610147.db2.gz RLICVARBLRAQJP-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]3C2)n1 ZINC001048991132 757624459 /nfs/dbraw/zinc/62/44/59/757624459.db2.gz IRWWUHFYFUTRMB-IYBDPMFKSA-N 1 1 336.399 0.266 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@H]21 ZINC001021585933 757643857 /nfs/dbraw/zinc/64/38/57/757643857.db2.gz XVVASZDASYFQNZ-IAGOWNOFSA-N 1 1 329.444 0.945 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@H]2C1 ZINC001049007102 757674789 /nfs/dbraw/zinc/67/47/89/757674789.db2.gz SIDCWCSABMWCGR-KFWWJZLASA-N 1 1 327.432 0.334 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)C[N@H+]3CCC[C@@H]3C)nn2)C1 ZINC001107209005 757683196 /nfs/dbraw/zinc/68/31/96/757683196.db2.gz CAKISURMQJLWQY-AWEZNQCLSA-N 1 1 330.436 0.259 20 30 ECEDMO C=C(C)CN1CC(n2cc(CNC(=O)C[N@@H+]3CCC[C@H]3C)nn2)C1 ZINC001107209040 757683320 /nfs/dbraw/zinc/68/33/20/757683320.db2.gz DJWQVKXQBMJKBS-CQSZACIVSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021617579 757689675 /nfs/dbraw/zinc/68/96/75/757689675.db2.gz VYYWCSQLZWQUCD-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccnc3c2nnn3C)C1 ZINC001021655127 757745403 /nfs/dbraw/zinc/74/54/03/757745403.db2.gz AKSWQLLFMUQTHE-HIFRSBDPSA-N 1 1 338.415 0.923 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)c1 ZINC001021661706 757752769 /nfs/dbraw/zinc/75/27/69/757752769.db2.gz REDPSAQOULWCRF-HZPDHXFCSA-N 1 1 326.400 0.856 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@H]21 ZINC001021662898 757757131 /nfs/dbraw/zinc/75/71/31/757757131.db2.gz YQODADNSEUJXHV-DOTOQJQBSA-N 1 1 343.402 0.975 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001049048026 757776133 /nfs/dbraw/zinc/77/61/33/757776133.db2.gz GAMZLTWXYBPEQW-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@H]2C1 ZINC001049053879 757789481 /nfs/dbraw/zinc/78/94/81/757789481.db2.gz HROWKGSSWWDKTA-XUWVNRHRSA-N 1 1 333.432 0.036 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 ZINC001107215388 757792196 /nfs/dbraw/zinc/79/21/96/757792196.db2.gz FPLJZNGEDYKLIU-UHFFFAOYSA-N 1 1 342.407 0.295 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cn(C2C[NH+](CC)C2)nn1 ZINC001107215855 757795551 /nfs/dbraw/zinc/79/55/51/757795551.db2.gz OZIHMGVKDVUSNI-OAHLLOKOSA-N 1 1 334.424 0.242 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)Cc3c[nH]cn3)nn2)C1 ZINC001107217658 757824465 /nfs/dbraw/zinc/82/44/65/757824465.db2.gz URVVUHDUKDAURH-CYBMUJFWSA-N 1 1 343.435 0.929 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021714388 757851205 /nfs/dbraw/zinc/85/12/05/757851205.db2.gz XCGBECOCAWEVQN-CABCVRRESA-N 1 1 346.431 0.217 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2nc(C)ccc2=O)C1 ZINC001021718688 757857871 /nfs/dbraw/zinc/85/78/71/757857871.db2.gz ILIAYXQSFPECKA-IRXDYDNUSA-N 1 1 342.443 0.888 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2nc(C)ccc2=O)C1 ZINC001021718687 757859276 /nfs/dbraw/zinc/85/92/76/757859276.db2.gz ILIAYXQSFPECKA-IAGOWNOFSA-N 1 1 342.443 0.888 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CCC2=O)C1 ZINC001021729835 757871577 /nfs/dbraw/zinc/87/15/77/757871577.db2.gz HVORJNFRDATEKZ-GJZGRUSLSA-N 1 1 331.416 0.472 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021730696 757873388 /nfs/dbraw/zinc/87/33/88/757873388.db2.gz PQZJDHNNVYAMKF-CABCVRRESA-N 1 1 346.431 0.217 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021730346 757874294 /nfs/dbraw/zinc/87/42/94/757874294.db2.gz MOFXFCGCXIXFGK-LSDHHAIUSA-N 1 1 346.431 0.217 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)C1 ZINC000996539244 757962524 /nfs/dbraw/zinc/96/25/24/757962524.db2.gz QNFSELKHWJFYJV-NYTXWWLZSA-N 1 1 341.415 0.700 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4coc(C)n4)C[C@@H]3C2)nn1 ZINC001049103042 757964261 /nfs/dbraw/zinc/96/42/61/757964261.db2.gz DQBGWXGQZOZYOZ-OKILXGFUSA-N 1 1 342.403 0.965 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4coc(C)n4)C[C@@H]3C2)nn1 ZINC001049103042 757964263 /nfs/dbraw/zinc/96/42/63/757964263.db2.gz DQBGWXGQZOZYOZ-OKILXGFUSA-N 1 1 342.403 0.965 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C[C@H]2C1 ZINC001049108479 757980718 /nfs/dbraw/zinc/98/07/18/757980718.db2.gz IPPHJOVMXLEFKS-XQQFMLRXSA-N 1 1 347.868 0.163 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]3C2)nn1 ZINC001049108844 757981781 /nfs/dbraw/zinc/98/17/81/757981781.db2.gz CHKPZLUISDRBON-GUTXKFCHSA-N 1 1 346.435 0.122 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]2C1 ZINC001049111259 757986039 /nfs/dbraw/zinc/98/60/39/757986039.db2.gz MQDUCGXRWIQUIU-QRJUGERDSA-N 1 1 335.448 0.622 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001049111035 757986527 /nfs/dbraw/zinc/98/65/27/757986527.db2.gz HKFITNPNJOGDTJ-FSDCSDTHSA-N 1 1 345.447 0.687 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001049111035 757986531 /nfs/dbraw/zinc/98/65/31/757986531.db2.gz HKFITNPNJOGDTJ-FSDCSDTHSA-N 1 1 345.447 0.687 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@H]2C1 ZINC001049111622 757987566 /nfs/dbraw/zinc/98/75/66/757987566.db2.gz VKDZOAYUKNAZNH-WCXIOVBPSA-N 1 1 328.416 0.312 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001049111754 757989366 /nfs/dbraw/zinc/98/93/66/757989366.db2.gz RPQIHWWKACPDFI-ULQDDVLXSA-N 1 1 349.475 0.552 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CNC(=O)C(C)(C)C)nn2)C1 ZINC001107234450 758017304 /nfs/dbraw/zinc/01/73/04/758017304.db2.gz CFRMFSUQSZRTDA-UHFFFAOYSA-N 1 1 348.451 0.489 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)nn2)C1 ZINC001107238110 758030148 /nfs/dbraw/zinc/03/01/48/758030148.db2.gz HQCREWXHHFWYPF-GASCZTMLSA-N 1 1 344.463 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4ccco4)C[C@H]3C2)C1=O ZINC001049124910 758042489 /nfs/dbraw/zinc/04/24/89/758042489.db2.gz MLUBDQRTGMJXNJ-UXLLHSPISA-N 1 1 343.427 0.999 20 30 ECEDMO N#Cc1cncc(NC/C=C/CNC(=O)CC[NH+]2CCOCC2)n1 ZINC001107253698 758051135 /nfs/dbraw/zinc/05/11/35/758051135.db2.gz IHIGEFFGNNVZQX-OWOJBTEDSA-N 1 1 330.392 0.155 20 30 ECEDMO COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CSCC#N)C[C@]2(C)C1 ZINC001101134923 758085235 /nfs/dbraw/zinc/08/52/35/758085235.db2.gz BQGMHBUHBNVFGC-NFAWXSAZSA-N 1 1 327.450 0.031 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001021959137 758098859 /nfs/dbraw/zinc/09/88/59/758098859.db2.gz QQRBZWWMWWCGLV-GUTXKFCHSA-N 1 1 331.420 0.284 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049140405 758107604 /nfs/dbraw/zinc/10/76/04/758107604.db2.gz MBUHICCAXPNXQS-SOUVJXGZSA-N 1 1 331.420 0.504 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(-n4cncn4)n3)C[C@H]2C1 ZINC001049141592 758110261 /nfs/dbraw/zinc/11/02/61/758110261.db2.gz UYPFNGPYBKLCIU-GASCZTMLSA-N 1 1 336.399 0.689 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)n[nH]2)C1 ZINC001077081923 758137198 /nfs/dbraw/zinc/13/71/98/758137198.db2.gz RAZXYURJHJCZQD-NXEZZACHSA-N 1 1 329.198 0.523 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)n[nH]2)C1 ZINC001077081923 758137204 /nfs/dbraw/zinc/13/72/04/758137204.db2.gz RAZXYURJHJCZQD-NXEZZACHSA-N 1 1 329.198 0.523 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049160112 758173192 /nfs/dbraw/zinc/17/31/92/758173192.db2.gz UIEWCGNNNJLZGC-ZNMIVQPWSA-N 1 1 329.404 0.267 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)OCC)CCC[C@@H]12 ZINC001107314103 758219603 /nfs/dbraw/zinc/21/96/03/758219603.db2.gz LURSLYYGQQUDDN-FRQCXROJSA-N 1 1 349.475 0.912 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccon3)CCC[C@@H]12 ZINC001107303409 758220478 /nfs/dbraw/zinc/22/04/78/758220478.db2.gz UHVUNSUTWQNNOW-CZUORRHYSA-N 1 1 331.376 0.289 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)nc1 ZINC001049177942 758233430 /nfs/dbraw/zinc/23/34/30/758233430.db2.gz VSWRZZNYKINMTB-UXLLHSPISA-N 1 1 338.411 0.297 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]2C1 ZINC001049190950 758258474 /nfs/dbraw/zinc/25/84/74/758258474.db2.gz JVNHPMRGFTZWHL-FGTMMUONSA-N 1 1 339.439 0.865 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCOC3)CCC[C@@H]12 ZINC001107319912 758261463 /nfs/dbraw/zinc/26/14/63/758261463.db2.gz VKCDGINBAZOIJM-HDMKZQKVSA-N 1 1 348.447 0.414 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnoc1CC ZINC001077125360 758290631 /nfs/dbraw/zinc/29/06/31/758290631.db2.gz SYDQFEHQPVMJGX-ZFWWWQNUSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnoc1CC ZINC001077125360 758290638 /nfs/dbraw/zinc/29/06/38/758290638.db2.gz SYDQFEHQPVMJGX-ZFWWWQNUSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2coc(C)n2)C1 ZINC001051660067 762616655 /nfs/dbraw/zinc/61/66/55/762616655.db2.gz KEDLRUPUJLLUIC-SJORKVTESA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2coc(C)n2)C1 ZINC001051660067 762616658 /nfs/dbraw/zinc/61/66/58/762616658.db2.gz KEDLRUPUJLLUIC-SJORKVTESA-N 1 1 346.431 0.398 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2coc(C)n2)C1 ZINC001051660067 762616661 /nfs/dbraw/zinc/61/66/61/762616661.db2.gz KEDLRUPUJLLUIC-SJORKVTESA-N 1 1 346.431 0.398 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001107336113 758318021 /nfs/dbraw/zinc/31/80/21/758318021.db2.gz HTDFKFOYDPZBJE-UMVBOHGHSA-N 1 1 327.450 0.551 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001107336113 758318024 /nfs/dbraw/zinc/31/80/24/758318024.db2.gz HTDFKFOYDPZBJE-UMVBOHGHSA-N 1 1 327.450 0.551 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(C)on2)C1 ZINC001051660489 762619070 /nfs/dbraw/zinc/61/90/70/762619070.db2.gz VHNKQSPHUYYYDM-IRXDYDNUSA-N 1 1 346.431 0.398 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001077147352 758341710 /nfs/dbraw/zinc/34/17/10/758341710.db2.gz LZGVQQURHFTRMR-ARFHVFGLSA-N 1 1 329.400 0.251 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001077163408 758392242 /nfs/dbraw/zinc/39/22/42/758392242.db2.gz OZEGQPAPCKGELN-LZLYRXPVSA-N 1 1 327.428 0.795 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001077166894 758400428 /nfs/dbraw/zinc/40/04/28/758400428.db2.gz NXHHMPIVNGKGJL-NVXWUHKLSA-N 1 1 326.400 0.749 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cncnc3)CCC[C@@H]12 ZINC001107370035 758412658 /nfs/dbraw/zinc/41/26/58/758412658.db2.gz FIIRFQUYKPMQMV-CRAIPNDOSA-N 1 1 343.431 0.753 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107382117 758426144 /nfs/dbraw/zinc/42/61/44/758426144.db2.gz ZAWRVIDWUZWAIS-BPQIPLTHSA-N 1 1 340.464 0.683 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4ccnc4)C[C@H]3C2)C1=O ZINC001049247688 758429489 /nfs/dbraw/zinc/42/94/89/758429489.db2.gz DBGIKCHVBSPALW-OWCLPIDISA-N 1 1 343.431 0.060 20 30 ECEDMO C[C@@H](O)C[NH+]1CC(OC2CCN(C(=O)CSCC#N)CC2)C1 ZINC001105690863 758433340 /nfs/dbraw/zinc/43/33/40/758433340.db2.gz BEIQZVMWPVEQRS-GFCCVEGCSA-N 1 1 327.450 0.316 20 30 ECEDMO N#CCSCC(=O)N1CCC(OC2C[NH+](CCCO)C2)CC1 ZINC001105690834 758433389 /nfs/dbraw/zinc/43/33/89/758433389.db2.gz AJJJJIZKJXFVPM-UHFFFAOYSA-N 1 1 327.450 0.317 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC/C=C/CNc2nccnc2C#N)no1 ZINC001107403011 758472745 /nfs/dbraw/zinc/47/27/45/758472745.db2.gz QJXWGHIQFNDNGE-ONEGZZNKSA-N 1 1 341.375 0.796 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001077194575 758478613 /nfs/dbraw/zinc/47/86/13/758478613.db2.gz IVZKXPKQUODCTF-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001077194575 758478618 /nfs/dbraw/zinc/47/86/18/758478618.db2.gz IVZKXPKQUODCTF-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001077195576 758482429 /nfs/dbraw/zinc/48/24/29/758482429.db2.gz DSPRNGZCGOKBAF-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)CCO3)[C@@H](O)C1 ZINC001083568740 758551367 /nfs/dbraw/zinc/55/13/67/758551367.db2.gz MDFSFWSJSSBADO-ZBFHGGJFSA-N 1 1 331.416 0.866 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)[C@@H](O)C1 ZINC001083569051 758562786 /nfs/dbraw/zinc/56/27/86/758562786.db2.gz ZUBVHDMPAOJHIE-XHSDSOJGSA-N 1 1 332.448 0.881 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC001049372275 758583262 /nfs/dbraw/zinc/58/32/62/758583262.db2.gz KVHUNDKNNAMSDW-MGPQQGTHSA-N 1 1 332.404 0.360 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)CC(N)=O)cc1 ZINC001049380624 758599073 /nfs/dbraw/zinc/59/90/73/758599073.db2.gz CBEMVHOVAOCMRS-HZPDHXFCSA-N 1 1 326.400 0.999 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)CC(N)=O)cc1 ZINC001049380620 758599479 /nfs/dbraw/zinc/59/94/79/758599479.db2.gz CBEMVHOVAOCMRS-CVEARBPZSA-N 1 1 326.400 0.999 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(c4nccnc4C#N)C[C@H]3C2)C1 ZINC001049383897 758607106 /nfs/dbraw/zinc/60/71/06/758607106.db2.gz GMJXDWBDJGCYMM-KFWWJZLASA-N 1 1 340.431 0.585 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCS(C)(=O)=O)CCC[C@@H]12 ZINC001107454208 758611903 /nfs/dbraw/zinc/61/19/03/758611903.db2.gz YUMDMKQDHRUPTA-GDBMZVCRSA-N 1 1 326.462 0.805 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C#N)c[nH]1 ZINC001049400582 758632865 /nfs/dbraw/zinc/63/28/65/758632865.db2.gz HTAVADDDKHRFBO-LSDHHAIUSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cn[nH]n3)CCC[C@@H]12 ZINC001107461100 758637524 /nfs/dbraw/zinc/63/75/24/758637524.db2.gz WFHVIVDUBRSRIB-CZUORRHYSA-N 1 1 332.408 0.081 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnn[nH]3)CCC[C@@H]12 ZINC001107461100 758637528 /nfs/dbraw/zinc/63/75/28/758637528.db2.gz WFHVIVDUBRSRIB-CZUORRHYSA-N 1 1 332.408 0.081 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnn[nH]3)CCC[C@@H]12 ZINC001107461100 758637530 /nfs/dbraw/zinc/63/75/30/758637530.db2.gz WFHVIVDUBRSRIB-CZUORRHYSA-N 1 1 332.408 0.081 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001077265296 758642324 /nfs/dbraw/zinc/64/23/24/758642324.db2.gz MIZHIQFYYQDANZ-KZNAEPCWSA-N 1 1 328.412 0.989 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001077265296 758642327 /nfs/dbraw/zinc/64/23/27/758642327.db2.gz MIZHIQFYYQDANZ-KZNAEPCWSA-N 1 1 328.412 0.989 20 30 ECEDMO Cn1cncc1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107464708 758645855 /nfs/dbraw/zinc/64/58/55/758645855.db2.gz ZXUVCVVXJWGZKY-RHSMWYFYSA-N 1 1 344.419 0.034 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(C#N)c1 ZINC001049425903 758669401 /nfs/dbraw/zinc/66/94/01/758669401.db2.gz QDHGCMOKVONANY-HOTGVXAUSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(C#N)c1 ZINC001049425903 758669403 /nfs/dbraw/zinc/66/94/03/758669403.db2.gz QDHGCMOKVONANY-HOTGVXAUSA-N 1 1 339.403 0.894 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)NC ZINC001049476770 758782665 /nfs/dbraw/zinc/78/26/65/758782665.db2.gz BPMGUZRIKZEHNU-QXSJWSMHSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)NC ZINC001049476770 758782667 /nfs/dbraw/zinc/78/26/67/758782667.db2.gz BPMGUZRIKZEHNU-QXSJWSMHSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001049484085 758793861 /nfs/dbraw/zinc/79/38/61/758793861.db2.gz DPVKTHSZCLJJOO-IRXDYDNUSA-N 1 1 329.448 0.757 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001049504729 758818563 /nfs/dbraw/zinc/81/85/63/758818563.db2.gz INGOVUAJHMXSQA-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)n(C)c1=O ZINC001049507404 758823043 /nfs/dbraw/zinc/82/30/43/758823043.db2.gz IFYQPILRGXOOKF-CABCVRRESA-N 1 1 346.431 0.188 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001049560048 758922574 /nfs/dbraw/zinc/92/25/74/758922574.db2.gz NKHOEKZBTBTBKZ-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001049560095 758922673 /nfs/dbraw/zinc/92/26/73/758922673.db2.gz OESTXPCHBHIHQE-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001049579358 758957299 /nfs/dbraw/zinc/95/72/99/758957299.db2.gz GAEDMVNBPNJXNH-OWCLPIDISA-N 1 1 332.448 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001049581724 758957719 /nfs/dbraw/zinc/95/77/19/758957719.db2.gz KCEZEKCQWQEOCY-HZPDHXFCSA-N 1 1 344.415 0.202 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(OCC(N)=O)cc1 ZINC001049582040 758959334 /nfs/dbraw/zinc/95/93/34/758959334.db2.gz LFRGIJWIOQRFSN-IAGOWNOFSA-N 1 1 341.411 0.863 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCCCS1(=O)=O ZINC001049596968 758976867 /nfs/dbraw/zinc/97/68/67/758976867.db2.gz YCGUGDWWVJMRKN-LSDHHAIUSA-N 1 1 339.461 0.111 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C(C)C)C1 ZINC001049599641 758980697 /nfs/dbraw/zinc/98/06/97/758980697.db2.gz RRPYECHJZQUFFB-QAETUUGQSA-N 1 1 349.475 0.406 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C(C)C)C1 ZINC001049599641 758980700 /nfs/dbraw/zinc/98/07/00/758980700.db2.gz RRPYECHJZQUFFB-QAETUUGQSA-N 1 1 349.475 0.406 20 30 ECEDMO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001049611310 758992793 /nfs/dbraw/zinc/99/27/93/758992793.db2.gz OMSKXWQVTXUGDP-CBYDULDESA-N 1 1 329.444 0.548 20 30 ECEDMO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049611310 758992799 /nfs/dbraw/zinc/99/27/99/758992799.db2.gz OMSKXWQVTXUGDP-CBYDULDESA-N 1 1 329.444 0.548 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001049616336 758999043 /nfs/dbraw/zinc/99/90/43/758999043.db2.gz TXUZLLFMXFURIR-HZPDHXFCSA-N 1 1 337.387 0.369 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)cc1C#N ZINC001049691510 759105582 /nfs/dbraw/zinc/10/55/82/759105582.db2.gz MKLFXSPRLMYCBE-CABCVRRESA-N 1 1 342.399 0.617 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)cc1C#N ZINC001049691510 759105587 /nfs/dbraw/zinc/10/55/87/759105587.db2.gz MKLFXSPRLMYCBE-CABCVRRESA-N 1 1 342.399 0.617 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001049719542 759127712 /nfs/dbraw/zinc/12/77/12/759127712.db2.gz MRJZBSPRFGAMSI-GJZGRUSLSA-N 1 1 342.443 0.835 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3nnc(C)o3)C2)nn1 ZINC001022824424 759145501 /nfs/dbraw/zinc/14/55/01/759145501.db2.gz AZQROMFTTKGXPU-ZMLRMANQSA-N 1 1 331.380 0.767 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3nc(C)no3)C2)nn1 ZINC001022823628 759146201 /nfs/dbraw/zinc/14/62/01/759146201.db2.gz HXTSCBCIUOCHLZ-ZMLRMANQSA-N 1 1 331.380 0.767 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001049740191 759154784 /nfs/dbraw/zinc/15/47/84/759154784.db2.gz UEOQKVXAHJXFEL-SOUVJXGZSA-N 1 1 328.420 0.324 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049751743 759167486 /nfs/dbraw/zinc/16/74/86/759167486.db2.gz COUOOKPXZWZLBF-MJBXVCDLSA-N 1 1 334.420 0.616 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(n2cnnn2)CCOCC1 ZINC001049780780 759197470 /nfs/dbraw/zinc/19/74/70/759197470.db2.gz JJOTZTYGUVXGKB-GJZGRUSLSA-N 1 1 346.435 0.430 20 30 ECEDMO Cc1nsc(NC[C@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1C#N ZINC001105913917 762693642 /nfs/dbraw/zinc/69/36/42/762693642.db2.gz LUJWCEWEFHJGOB-NWDGAFQWSA-N 1 1 337.449 0.554 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccncc3C)C2)C1=O ZINC001014443350 762697563 /nfs/dbraw/zinc/69/75/63/762697563.db2.gz MRHWOTLJYFCOGN-DLBZAZTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccncc3C)C2)C1=O ZINC001014443350 762697566 /nfs/dbraw/zinc/69/75/66/762697566.db2.gz MRHWOTLJYFCOGN-DLBZAZTESA-N 1 1 342.443 0.910 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049812041 759243330 /nfs/dbraw/zinc/24/33/30/759243330.db2.gz OGOOPVWEMRUAHV-UONOGXRCSA-N 1 1 330.388 0.437 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cnccc1=O ZINC001049815718 759247649 /nfs/dbraw/zinc/24/76/49/759247649.db2.gz GABIHBPOKJGESU-CVEARBPZSA-N 1 1 328.416 0.722 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049828319 759262135 /nfs/dbraw/zinc/26/21/35/759262135.db2.gz ZKVDNEQCFVCXEP-ZIAGYGMSSA-N 1 1 346.431 0.405 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001049836042 759271264 /nfs/dbraw/zinc/27/12/64/759271264.db2.gz UMZJKWQDWMCWDH-CABCVRRESA-N 1 1 343.431 0.080 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001049839805 759279541 /nfs/dbraw/zinc/27/95/41/759279541.db2.gz DIXSASVAELSBAZ-KGLIPLIRSA-N 1 1 344.415 0.811 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001049839805 759279549 /nfs/dbraw/zinc/27/95/49/759279549.db2.gz DIXSASVAELSBAZ-KGLIPLIRSA-N 1 1 344.415 0.811 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2csc3nccn23)C1 ZINC001047629925 759342761 /nfs/dbraw/zinc/34/27/61/759342761.db2.gz FHRWDKSOFBBULL-KBPBESRZSA-N 1 1 332.429 0.465 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049886984 759350731 /nfs/dbraw/zinc/35/07/31/759350731.db2.gz XPIOVGFLTNNRHP-KBPBESRZSA-N 1 1 332.404 0.741 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049888209 759352495 /nfs/dbraw/zinc/35/24/95/759352495.db2.gz FQLKPHPYYUQUBR-QWHCGFSZSA-N 1 1 339.823 0.953 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049888209 759352503 /nfs/dbraw/zinc/35/25/03/759352503.db2.gz FQLKPHPYYUQUBR-QWHCGFSZSA-N 1 1 339.823 0.953 20 30 ECEDMO Cn1nc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)ccc1=O ZINC001032171279 759356388 /nfs/dbraw/zinc/35/63/88/759356388.db2.gz JKRBHYZNHCDPFY-UHFFFAOYSA-N 1 1 336.395 0.494 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001047635658 759362859 /nfs/dbraw/zinc/36/28/59/759362859.db2.gz YUHDRSZHTBXSPR-BQFCYCMXSA-N 1 1 328.412 0.744 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001047635658 759362874 /nfs/dbraw/zinc/36/28/74/759362874.db2.gz YUHDRSZHTBXSPR-BQFCYCMXSA-N 1 1 328.412 0.744 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c(C)noc3CC)C2)C1=O ZINC001032179075 759368735 /nfs/dbraw/zinc/36/87/35/759368735.db2.gz HOEZYESYYWRXMQ-CQSZACIVSA-N 1 1 346.431 0.994 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCc3sccc3C2)C1 ZINC001047637009 759368892 /nfs/dbraw/zinc/36/88/92/759368892.db2.gz UHJSDFHBERKDIJ-GJZGRUSLSA-N 1 1 335.473 0.796 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nsc3ccccc32)C1 ZINC001047637502 759370676 /nfs/dbraw/zinc/37/06/76/759370676.db2.gz ZRNFJHNQXHVZMT-GJZGRUSLSA-N 1 1 329.425 0.976 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nsc3ccccc32)C1 ZINC001047637502 759370686 /nfs/dbraw/zinc/37/06/86/759370686.db2.gz ZRNFJHNQXHVZMT-GJZGRUSLSA-N 1 1 329.425 0.976 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001047638203 759372961 /nfs/dbraw/zinc/37/29/61/759372961.db2.gz GSXDGAPXNXHUIB-JYJNAYRXSA-N 1 1 347.463 0.619 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(N(C)C)nn1 ZINC001089889183 759374552 /nfs/dbraw/zinc/37/45/52/759374552.db2.gz KYCPZTPPOCVBHW-IVSAIRAKSA-N 1 1 339.443 0.958 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001054241903 767854889 /nfs/dbraw/zinc/85/48/89/767854889.db2.gz ADTXGZKEDRZWRR-FUHWJXTLSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nc(C)ccc1=O ZINC001089890097 759391109 /nfs/dbraw/zinc/39/11/09/759391109.db2.gz QOFDVAPNOOKRRI-YVSFHVDLSA-N 1 1 342.443 0.907 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001049913459 759396684 /nfs/dbraw/zinc/39/66/84/759396684.db2.gz YFIGGMIBTGLWHI-RCCFBDPRSA-N 1 1 331.460 0.796 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(OC)ncnc1OC ZINC001049924069 759410163 /nfs/dbraw/zinc/41/01/63/759410163.db2.gz BSYWVMGLIQOVHQ-CHWSQXEVSA-N 1 1 330.388 0.806 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccnc(C)n3)C2)C1=O ZINC001032193118 759472211 /nfs/dbraw/zinc/47/22/11/759472211.db2.gz JQLYJHOZLWVBHV-OAHLLOKOSA-N 1 1 329.404 0.234 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@H](C)OC)[C@@H]3C2)C1=O ZINC001049988639 759502864 /nfs/dbraw/zinc/50/28/64/759502864.db2.gz VLYCLYUGZRHCCP-YHUYYLMFSA-N 1 1 335.448 0.731 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(OC2C[NH+](CCCO)C2)CC1 ZINC001105703769 759513407 /nfs/dbraw/zinc/51/34/07/759513407.db2.gz IMCSPLKELMFSNA-KRWDZBQOSA-N 1 1 326.437 0.388 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001049998152 759522879 /nfs/dbraw/zinc/52/28/79/759522879.db2.gz CQEHYBFJGIWBLD-IJEWVQPXSA-N 1 1 348.447 0.364 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001049998152 759522886 /nfs/dbraw/zinc/52/28/86/759522886.db2.gz CQEHYBFJGIWBLD-IJEWVQPXSA-N 1 1 348.447 0.364 20 30 ECEDMO Cn1nncc1C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001050009327 759544769 /nfs/dbraw/zinc/54/47/69/759544769.db2.gz RBNNNYUUKCDVPT-XJKSGUPXSA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001050009327 759544772 /nfs/dbraw/zinc/54/47/72/759544772.db2.gz RBNNNYUUKCDVPT-XJKSGUPXSA-N 1 1 339.403 0.751 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4ncc[nH]4)[C@@H]3C2)C1=O ZINC001050042208 759605850 /nfs/dbraw/zinc/60/58/50/759605850.db2.gz MBUJENPERASAMK-RRFJBIMHSA-N 1 1 343.431 0.733 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001050043831 759607045 /nfs/dbraw/zinc/60/70/45/759607045.db2.gz KDJPKTIKDUYOQH-SOUVJXGZSA-N 1 1 329.400 0.128 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(CCOC)nn3)[C@@H]2C1 ZINC001050045485 759610055 /nfs/dbraw/zinc/61/00/55/759610055.db2.gz GQKQMBFSPFRCAU-GOEBONIOSA-N 1 1 331.420 0.484 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 ZINC001050048626 759615528 /nfs/dbraw/zinc/61/55/28/759615528.db2.gz HCBXOXCFSNJVIL-UONOGXRCSA-N 1 1 333.432 0.880 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3nc4ncc(C)cn4n3)[C@@H]2C1 ZINC001050073150 759658019 /nfs/dbraw/zinc/65/80/19/759658019.db2.gz ZKMVPZCEEKQROT-LSDHHAIUSA-N 1 1 338.415 0.992 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1 ZINC001050088896 759682931 /nfs/dbraw/zinc/68/29/31/759682931.db2.gz RGGOWRMPOPGSTK-GOEBONIOSA-N 1 1 346.431 0.612 20 30 ECEDMO Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c(C#N)cn1 ZINC001125110499 759699921 /nfs/dbraw/zinc/69/99/21/759699921.db2.gz HEPMUPULRQADOC-HOCLYGCPSA-N 1 1 345.447 0.469 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 ZINC001050103578 759708926 /nfs/dbraw/zinc/70/89/26/759708926.db2.gz KTSHZMPYTGXKCL-XJKSGUPXSA-N 1 1 339.403 0.780 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccc(C#N)nc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125111232 759713272 /nfs/dbraw/zinc/71/32/72/759713272.db2.gz SMQHUTPWLBACRM-XJKSGUPXSA-N 1 1 331.420 0.160 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1ncccc1C#N ZINC001050105372 759713389 /nfs/dbraw/zinc/71/33/89/759713389.db2.gz BLZYUZXYWVGILK-SNPRPXQTSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1ncccc1C#N ZINC001050105372 759713394 /nfs/dbraw/zinc/71/33/94/759713394.db2.gz BLZYUZXYWVGILK-SNPRPXQTSA-N 1 1 329.404 0.367 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CN(C)C(=O)N3)cc2C1 ZINC001054276089 767888793 /nfs/dbraw/zinc/88/87/93/767888793.db2.gz NCMZEXPLINAJOS-MRXNPFEDSA-N 1 1 326.400 0.665 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1ccc(C#N)nc1 ZINC001050106844 759717545 /nfs/dbraw/zinc/71/75/45/759717545.db2.gz UNHFYADCPDEKNQ-KCXAZCMYSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1ccc(C#N)nc1 ZINC001050106844 759717546 /nfs/dbraw/zinc/71/75/46/759717546.db2.gz UNHFYADCPDEKNQ-KCXAZCMYSA-N 1 1 329.404 0.367 20 30 ECEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CN(C)C(=O)N3)cc2C1 ZINC001054276089 767888800 /nfs/dbraw/zinc/88/88/00/767888800.db2.gz NCMZEXPLINAJOS-MRXNPFEDSA-N 1 1 326.400 0.665 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nc1 ZINC001125132751 759793956 /nfs/dbraw/zinc/79/39/56/759793956.db2.gz HEMFULIEALNLAP-QGZVFWFLSA-N 1 1 347.463 0.941 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001050146532 759798435 /nfs/dbraw/zinc/79/84/35/759798435.db2.gz XDHQRDBGJLYXIX-HRCADAONSA-N 1 1 342.447 0.572 20 30 ECEDMO CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC000995575072 759811764 /nfs/dbraw/zinc/81/17/64/759811764.db2.gz RSYYYODJTCROGJ-AWEZNQCLSA-N 1 1 332.379 0.899 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050153195 759812776 /nfs/dbraw/zinc/81/27/76/759812776.db2.gz RRYSOGOKTRZMGP-ARFHVFGLSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050153195 759812781 /nfs/dbraw/zinc/81/27/81/759812781.db2.gz RRYSOGOKTRZMGP-ARFHVFGLSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4n[nH]c(=O)n4c3)[C@@H]2C1 ZINC001050161315 759829313 /nfs/dbraw/zinc/82/93/13/759829313.db2.gz QRDBYEAEAXAFJC-GXTWGEPZSA-N 1 1 325.372 0.605 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@@H]4CCOC4)[C@@H]3C2)C1=O ZINC001050176788 759871228 /nfs/dbraw/zinc/87/12/28/759871228.db2.gz VFYQCBOANMGRCL-YLFCFFPRSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001050179585 759879902 /nfs/dbraw/zinc/87/99/02/759879902.db2.gz NXFIQEGBBSMJSL-SQWLQELKSA-N 1 1 329.404 0.409 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 ZINC001050182801 759888619 /nfs/dbraw/zinc/88/86/19/759888619.db2.gz CQFUABFABCDIED-GXTWGEPZSA-N 1 1 342.403 0.530 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)nc1 ZINC001050184516 759895238 /nfs/dbraw/zinc/89/52/38/759895238.db2.gz IWYHVLGGHFEVKR-USXIJHARSA-N 1 1 338.411 0.488 20 30 ECEDMO CCc1nc(C#N)cc(NC/C=C\CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001107093577 759897062 /nfs/dbraw/zinc/89/70/62/759897062.db2.gz ITBDRWISJJXYAR-ZRUQZJFASA-N 1 1 344.419 0.326 20 30 ECEDMO CCc1nc(C#N)cc(NC/C=C\CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001107093577 759897073 /nfs/dbraw/zinc/89/70/73/759897073.db2.gz ITBDRWISJJXYAR-ZRUQZJFASA-N 1 1 344.419 0.326 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001050197297 759918754 /nfs/dbraw/zinc/91/87/54/759918754.db2.gz ZPPCKDDPVXGPLV-MELADBBJSA-N 1 1 334.420 0.474 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 ZINC001050198204 759921561 /nfs/dbraw/zinc/92/15/61/759921561.db2.gz DRRKNJXWSWUIHP-UONOGXRCSA-N 1 1 334.420 0.379 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 ZINC001050198281 759921733 /nfs/dbraw/zinc/92/17/33/759921733.db2.gz JHNKFRMUOOPOAU-LSDHHAIUSA-N 1 1 348.447 0.769 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nncn4C3)[C@@H]2C1 ZINC001050207809 759942566 /nfs/dbraw/zinc/94/25/66/759942566.db2.gz JQKVHISFAKIREW-HRCADAONSA-N 1 1 327.432 0.787 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001050223687 759973150 /nfs/dbraw/zinc/97/31/50/759973150.db2.gz GTWGFOLFDRHZLQ-CABCVRRESA-N 1 1 345.447 0.947 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)no1 ZINC001048250388 760163069 /nfs/dbraw/zinc/16/30/69/760163069.db2.gz BOUCTORUHAQHIK-HIFRSBDPSA-N 1 1 346.431 0.856 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCCS3(=O)=O)C2)CC1 ZINC001050605591 760560737 /nfs/dbraw/zinc/56/07/37/760560737.db2.gz UPTKYNIXVJOIHU-OAHLLOKOSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@@H](C)C(=O)NC2CC2)C1 ZINC001030024697 760630245 /nfs/dbraw/zinc/63/02/45/760630245.db2.gz FRSWOWAXSRITAF-UAGQMJEPSA-N 1 1 346.475 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@@H](C)C(=O)NC2CC2)C1 ZINC001030024697 760630247 /nfs/dbraw/zinc/63/02/47/760630247.db2.gz FRSWOWAXSRITAF-UAGQMJEPSA-N 1 1 346.475 0.332 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)O ZINC001048532897 760672414 /nfs/dbraw/zinc/67/24/14/760672414.db2.gz KLUVGWWTXJVQIW-JCECYMMASA-N 1 1 333.476 0.824 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)C3(S(C)(=O)=O)CCCC3)C2)CC1 ZINC001050698196 760685187 /nfs/dbraw/zinc/68/51/87/760685187.db2.gz PTOWFIURIASYGW-UHFFFAOYSA-N 1 1 338.473 0.901 20 30 ECEDMO C=CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)CCC1 ZINC001048558821 760717260 /nfs/dbraw/zinc/71/72/60/760717260.db2.gz XTDCVMGGCPHZPM-JYJNAYRXSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001048561993 760721039 /nfs/dbraw/zinc/72/10/39/760721039.db2.gz GRMHQRPWQZTZBF-XFIYOXNOSA-N 1 1 335.448 0.955 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001048562388 760722011 /nfs/dbraw/zinc/72/20/11/760722011.db2.gz NGWFSBGPHCRGFC-XFIYOXNOSA-N 1 1 333.432 0.402 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)CC1 ZINC001050727515 760737336 /nfs/dbraw/zinc/73/73/36/760737336.db2.gz KPHBWCXZOKHAAC-CQSZACIVSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)CC1 ZINC001050727515 760737342 /nfs/dbraw/zinc/73/73/42/760737342.db2.gz KPHBWCXZOKHAAC-CQSZACIVSA-N 1 1 327.432 0.857 20 30 ECEDMO CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H]1NCC#N ZINC000995900782 760747582 /nfs/dbraw/zinc/74/75/82/760747582.db2.gz ZFCJKHMKMXPRRF-HOTGVXAUSA-N 1 1 334.464 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)cn1 ZINC001048583729 760753650 /nfs/dbraw/zinc/75/36/50/760753650.db2.gz IRFPOQREOWOPFI-BZWBGLRVSA-N 1 1 326.400 0.521 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001048586452 760760029 /nfs/dbraw/zinc/76/00/29/760760029.db2.gz KNMHJXODOHAUNF-XMTFNYHQSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)C1=O ZINC001048642180 760842730 /nfs/dbraw/zinc/84/27/30/760842730.db2.gz OVGKMBPXPWLZOI-BBWFWOEESA-N 1 1 347.459 0.590 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2nccs2)[C@@H](O)C1 ZINC001083668873 760854303 /nfs/dbraw/zinc/85/43/03/760854303.db2.gz KFCRMRHNYNKTQV-RDBSUJKOSA-N 1 1 336.461 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cn(C)nc2Cl)C1 ZINC000995955880 760858937 /nfs/dbraw/zinc/85/89/37/760858937.db2.gz FNNOEGBNLJSKAV-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cn(C)nc2Cl)C1 ZINC000995955880 760858949 /nfs/dbraw/zinc/85/89/49/760858949.db2.gz FNNOEGBNLJSKAV-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C3)C1 ZINC000995975109 760874630 /nfs/dbraw/zinc/87/46/30/760874630.db2.gz HIKWKEVHFAHPIH-FXUDXRNXSA-N 1 1 347.459 0.921 20 30 ECEDMO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C3)C1 ZINC000995975109 760874640 /nfs/dbraw/zinc/87/46/40/760874640.db2.gz HIKWKEVHFAHPIH-FXUDXRNXSA-N 1 1 347.459 0.921 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC000996061532 760995160 /nfs/dbraw/zinc/99/51/60/760995160.db2.gz UZLLAHNDGOTHIS-UHFFFAOYSA-N 1 1 336.395 0.743 20 30 ECEDMO Cc1cc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)on1 ZINC001048725026 761046194 /nfs/dbraw/zinc/04/61/94/761046194.db2.gz MXQWSNPTIMFPRO-AHLTXXRQSA-N 1 1 345.403 0.860 20 30 ECEDMO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)on1 ZINC001048725026 761046205 /nfs/dbraw/zinc/04/62/05/761046205.db2.gz MXQWSNPTIMFPRO-AHLTXXRQSA-N 1 1 345.403 0.860 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC[C@H](C)C3)C[C@@H]2C1 ZINC001048727698 761055049 /nfs/dbraw/zinc/05/50/49/761055049.db2.gz MBASEESXWUCIKZ-YHUYYLMFSA-N 1 1 332.448 0.795 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc4n3CCCC4)C[C@@H]2C1 ZINC001048728297 761057307 /nfs/dbraw/zinc/05/73/07/761057307.db2.gz YXGSRZMULSSBIW-MCIONIFRSA-N 1 1 328.420 0.664 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc4n3CCCC4)C[C@@H]2C1 ZINC001048728297 761057317 /nfs/dbraw/zinc/05/73/17/761057317.db2.gz YXGSRZMULSSBIW-MCIONIFRSA-N 1 1 328.420 0.664 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)c1 ZINC001048749767 761107873 /nfs/dbraw/zinc/10/78/73/761107873.db2.gz OJSXHXLSZRGABU-VNHYZAJKSA-N 1 1 327.388 0.169 20 30 ECEDMO CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001050953937 761212257 /nfs/dbraw/zinc/21/22/57/761212257.db2.gz PCEXTVIRPXHXHQ-ROUUACIJSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1CCC(F)(F)F ZINC001050962710 761231558 /nfs/dbraw/zinc/23/15/58/761231558.db2.gz OWSFQCYQDDVUFW-KGLIPLIRSA-N 1 1 347.381 0.853 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1CCC(F)(F)F ZINC001050962710 761231561 /nfs/dbraw/zinc/23/15/61/761231561.db2.gz OWSFQCYQDDVUFW-KGLIPLIRSA-N 1 1 347.381 0.853 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCS(N)(=O)=O ZINC001099204015 768023873 /nfs/dbraw/zinc/02/38/73/768023873.db2.gz VMJUCPYTCNQTND-CYBMUJFWSA-N 1 1 329.466 0.295 20 30 ECEDMO C=C(Cl)CN1CCOC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001050997176 761298987 /nfs/dbraw/zinc/29/89/87/761298987.db2.gz RKHBYKYZJLOSFP-GFCCVEGCSA-N 1 1 342.827 0.919 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC/C=C/CCC)C[C@H]1OC ZINC001212149555 761308041 /nfs/dbraw/zinc/30/80/41/761308041.db2.gz ABQJUOPNTYJAFH-XLBHYRNJSA-N 1 1 335.448 0.688 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1OC ZINC001212150395 761322988 /nfs/dbraw/zinc/32/29/88/761322988.db2.gz WRHQNZVLCYJKAM-ZIAGYGMSSA-N 1 1 335.429 0.203 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1OC ZINC001212150395 761322997 /nfs/dbraw/zinc/32/29/97/761322997.db2.gz WRHQNZVLCYJKAM-ZIAGYGMSSA-N 1 1 335.429 0.203 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C ZINC001051027355 761359419 /nfs/dbraw/zinc/35/94/19/761359419.db2.gz SCLJYKVDCKDJPF-NFAWXSAZSA-N 1 1 328.420 0.916 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC(OC2C[NH+](C[C@H](C)O)C2)CC1 ZINC001105736249 761419879 /nfs/dbraw/zinc/41/98/79/761419879.db2.gz SIQGDFYGLHNRFG-UONOGXRCSA-N 1 1 326.437 0.650 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082378 761456644 /nfs/dbraw/zinc/45/66/44/761456644.db2.gz ZSRUNYIAZIXLBE-HZPDHXFCSA-N 1 1 325.453 0.489 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1 ZINC001054547176 768037924 /nfs/dbraw/zinc/03/79/24/768037924.db2.gz LMQRUMFOMBWOQW-IAQYHMDHSA-N 1 1 327.392 0.748 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)c1 ZINC001051107373 761503146 /nfs/dbraw/zinc/50/31/46/761503146.db2.gz SKKYTTPAHFWXMF-WMZOPIPTSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H]2CCCOC2)c1 ZINC001051107373 761503150 /nfs/dbraw/zinc/50/31/50/761503150.db2.gz SKKYTTPAHFWXMF-WMZOPIPTSA-N 1 1 343.427 0.920 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001054548855 768038328 /nfs/dbraw/zinc/03/83/28/768038328.db2.gz QNCFJGLASDIACY-BXUZGUMPSA-N 1 1 342.407 0.704 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054568456 768044629 /nfs/dbraw/zinc/04/46/29/768044629.db2.gz FBUBRIRTMOZPCP-YGRLFVJLSA-N 1 1 340.391 0.458 20 30 ECEDMO C[N@H+]1C[C@H](C(=O)NC[C@@H]2COCCN2CC#N)[C@@H](c2ccccc2)C1 ZINC001051126412 761527455 /nfs/dbraw/zinc/52/74/55/761527455.db2.gz GFBKIQGAWRIFIK-KURKYZTESA-N 1 1 342.443 0.672 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001054572210 768045609 /nfs/dbraw/zinc/04/56/09/768045609.db2.gz MIHJOKXOXWJFQY-FZMZJTMJSA-N 1 1 327.392 0.748 20 30 ECEDMO C#CCN1CCOC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001051188435 761646825 /nfs/dbraw/zinc/64/68/25/761646825.db2.gz HSKPFPHWCPPPSI-INIZCTEOSA-N 1 1 325.372 0.331 20 30 ECEDMO CC(C)C#CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001051189727 761649872 /nfs/dbraw/zinc/64/98/72/761649872.db2.gz PQSRHZZXBCPVDY-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001054588050 768056063 /nfs/dbraw/zinc/05/60/63/768056063.db2.gz ODOXZIYCBKJZMD-FZMZJTMJSA-N 1 1 327.392 0.748 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1c1ccc(C#N)cn1 ZINC001051195747 761665604 /nfs/dbraw/zinc/66/56/04/761665604.db2.gz ARUXFWFGYGIFCW-LUYZLQTOSA-N 1 1 343.431 0.756 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1c1ccc(C#N)cn1 ZINC001051195747 761665606 /nfs/dbraw/zinc/66/56/06/761665606.db2.gz ARUXFWFGYGIFCW-LUYZLQTOSA-N 1 1 343.431 0.756 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1c1ncccc1C#N ZINC001051197028 761668496 /nfs/dbraw/zinc/66/84/96/761668496.db2.gz SPLVQDWYPWFIHR-LUYZLQTOSA-N 1 1 343.431 0.756 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1c1ncccc1C#N ZINC001051197028 761668502 /nfs/dbraw/zinc/66/85/02/761668502.db2.gz SPLVQDWYPWFIHR-LUYZLQTOSA-N 1 1 343.431 0.756 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001051314228 761872640 /nfs/dbraw/zinc/87/26/40/761872640.db2.gz KPYZTWKQDGJQNI-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC000991687612 762729334 /nfs/dbraw/zinc/72/93/34/762729334.db2.gz MHQSCAMSDWDEHH-OAHLLOKOSA-N 1 1 346.435 0.279 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1nc(C)ccc1C#N ZINC001105918124 762755821 /nfs/dbraw/zinc/75/58/21/762755821.db2.gz XOVKHAUWHUXNLR-HNNXBMFYSA-N 1 1 333.436 0.883 20 30 ECEDMO C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC000991695234 762790760 /nfs/dbraw/zinc/79/07/60/762790760.db2.gz UEXMBJWBVLPOET-STQMWFEESA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C)nnc3C)C2)C1=O ZINC001014563640 762834138 /nfs/dbraw/zinc/83/41/38/762834138.db2.gz YKXSOFLOWACTHZ-GDBMZVCRSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C)nnc3C)C2)C1=O ZINC001014563640 762834145 /nfs/dbraw/zinc/83/41/45/762834145.db2.gz YKXSOFLOWACTHZ-GDBMZVCRSA-N 1 1 343.431 0.684 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)C2)ccc1F ZINC001014564679 762835781 /nfs/dbraw/zinc/83/57/81/762835781.db2.gz KEOSPIHDAILTNU-CQSZACIVSA-N 1 1 328.351 0.680 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3nccn3)C2)ccc1F ZINC001014564679 762835789 /nfs/dbraw/zinc/83/57/89/762835789.db2.gz KEOSPIHDAILTNU-CQSZACIVSA-N 1 1 328.351 0.680 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001105935236 762891089 /nfs/dbraw/zinc/89/10/89/762891089.db2.gz QFXARQCKQXKBJG-MRXNPFEDSA-N 1 1 347.463 0.776 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1=O ZINC001014615805 762907702 /nfs/dbraw/zinc/90/77/02/762907702.db2.gz JMAIGVFXUHFBGO-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1=O ZINC001014615805 762907703 /nfs/dbraw/zinc/90/77/03/762907703.db2.gz JMAIGVFXUHFBGO-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(OCC(N)=O)cc3)CCC[C@H]12 ZINC000991715334 762911283 /nfs/dbraw/zinc/91/12/83/762911283.db2.gz YFEWQNWLGWYKRG-QFBILLFUSA-N 1 1 341.411 0.911 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2ncc[nH]2)CC1 ZINC001017539391 768095018 /nfs/dbraw/zinc/09/50/18/768095018.db2.gz WVTUTGQEIFHPEW-HNNXBMFYSA-N 1 1 341.415 0.396 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2ncc[nH]2)CC1 ZINC001017539391 768095026 /nfs/dbraw/zinc/09/50/26/768095026.db2.gz WVTUTGQEIFHPEW-HNNXBMFYSA-N 1 1 341.415 0.396 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2cnco2)CC1 ZINC001017539611 768095505 /nfs/dbraw/zinc/09/55/05/768095505.db2.gz ZGCUWRJJSWAEJJ-HNNXBMFYSA-N 1 1 342.399 0.661 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2cnco2)CC1 ZINC001017539611 768095513 /nfs/dbraw/zinc/09/55/13/768095513.db2.gz ZGCUWRJJSWAEJJ-HNNXBMFYSA-N 1 1 342.399 0.661 20 30 ECEDMO Cc1cc(NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001106294392 768096586 /nfs/dbraw/zinc/09/65/86/768096586.db2.gz RIYHZFHEYAABHA-BLLLJJGKSA-N 1 1 331.420 0.321 20 30 ECEDMO Cc1cc(NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001106294392 768096594 /nfs/dbraw/zinc/09/65/94/768096594.db2.gz RIYHZFHEYAABHA-BLLLJJGKSA-N 1 1 331.420 0.321 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@@H](C[NH2+][C@H](C)c3nnnn3C)C2)CC1 ZINC001051803372 763001390 /nfs/dbraw/zinc/00/13/90/763001390.db2.gz MVDSWPYZYVIHJV-HIFRSBDPSA-N 1 1 348.451 0.835 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2coc(C)n2)C1 ZINC001051833992 763076064 /nfs/dbraw/zinc/07/60/64/763076064.db2.gz CQADRVNJCUKFET-OAGGEKHMSA-N 1 1 335.404 0.891 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046778161 763111263 /nfs/dbraw/zinc/11/12/63/763111263.db2.gz CFTWLNGDEJQSAQ-LPHOPBHVSA-N 1 1 325.412 0.897 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046778161 763111266 /nfs/dbraw/zinc/11/12/66/763111266.db2.gz CFTWLNGDEJQSAQ-LPHOPBHVSA-N 1 1 325.412 0.897 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001046779622 763113861 /nfs/dbraw/zinc/11/38/61/763113861.db2.gz WBBZVXICTBIEBP-KBXCAEBGSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001046779622 763113866 /nfs/dbraw/zinc/11/38/66/763113866.db2.gz WBBZVXICTBIEBP-KBXCAEBGSA-N 1 1 340.383 0.062 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC001014771152 763128660 /nfs/dbraw/zinc/12/86/60/763128660.db2.gz WJPXMNKBSAMNON-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC001014771152 763128669 /nfs/dbraw/zinc/12/86/69/763128669.db2.gz WJPXMNKBSAMNON-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001089842065 763131259 /nfs/dbraw/zinc/13/12/59/763131259.db2.gz ICGHPMNICWADME-JKQORVJESA-N 1 1 340.427 0.586 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001105972513 763134985 /nfs/dbraw/zinc/13/49/85/763134985.db2.gz LGICJAOTFJMDOL-GJZGRUSLSA-N 1 1 331.420 0.715 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001014779569 763140135 /nfs/dbraw/zinc/14/01/35/763140135.db2.gz MKKYDNNWJJXSLW-CVEARBPZSA-N 1 1 349.866 0.825 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001014779569 763140140 /nfs/dbraw/zinc/14/01/40/763140140.db2.gz MKKYDNNWJJXSLW-CVEARBPZSA-N 1 1 349.866 0.825 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001051868398 763155021 /nfs/dbraw/zinc/15/50/21/763155021.db2.gz UYXVUQNLJBKAOB-ZOBUZTSGSA-N 1 1 346.431 0.775 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCNC(=O)C1 ZINC001089850282 763179321 /nfs/dbraw/zinc/17/93/21/763179321.db2.gz NGKLXUDZVHVJHJ-HZMVEIRTSA-N 1 1 346.475 0.163 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3ncn[nH]3)CCO2)cc1 ZINC001051896083 763253632 /nfs/dbraw/zinc/25/36/32/763253632.db2.gz DZDWMMGICFHUGE-OAHLLOKOSA-N 1 1 340.387 0.236 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000940528273 763369948 /nfs/dbraw/zinc/36/99/48/763369948.db2.gz KOJHHEXJVDUNQF-HUUCEWRRSA-N 1 1 330.432 0.957 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046924024 763394186 /nfs/dbraw/zinc/39/41/86/763394186.db2.gz BRKZINNVZBZFKN-KBPBESRZSA-N 1 1 329.391 0.414 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046924024 763394190 /nfs/dbraw/zinc/39/41/90/763394190.db2.gz BRKZINNVZBZFKN-KBPBESRZSA-N 1 1 329.391 0.414 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046924030 763394232 /nfs/dbraw/zinc/39/42/32/763394232.db2.gz BRKZINNVZBZFKN-ZIAGYGMSSA-N 1 1 329.391 0.414 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046924030 763394237 /nfs/dbraw/zinc/39/42/37/763394237.db2.gz BRKZINNVZBZFKN-ZIAGYGMSSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001046940574 763428364 /nfs/dbraw/zinc/42/83/64/763428364.db2.gz WNBHMOCKZZPATF-MGPQQGTHSA-N 1 1 341.402 0.998 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCC1(F)F ZINC001046947489 763439041 /nfs/dbraw/zinc/43/90/41/763439041.db2.gz RWLMXPDXWQPYCY-KBPBESRZSA-N 1 1 329.391 0.150 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001046953604 763451855 /nfs/dbraw/zinc/45/18/55/763451855.db2.gz HUQCMNGAWMBOPB-LLVKDONJSA-N 1 1 348.353 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001046953604 763451860 /nfs/dbraw/zinc/45/18/60/763451860.db2.gz HUQCMNGAWMBOPB-LLVKDONJSA-N 1 1 348.353 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C[C@H](O)c2ccc(F)cc2)C1 ZINC001030463883 763454949 /nfs/dbraw/zinc/45/49/49/763454949.db2.gz ZGYWPLPFWLWPMW-ROUUACIJSA-N 1 1 345.418 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C[C@H](O)c2ccc(F)cc2)C1 ZINC001030463883 763454955 /nfs/dbraw/zinc/45/49/55/763454955.db2.gz ZGYWPLPFWLWPMW-ROUUACIJSA-N 1 1 345.418 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001046955567 763457356 /nfs/dbraw/zinc/45/73/56/763457356.db2.gz DBIIXUIYLQZHKT-CHWSQXEVSA-N 1 1 342.390 0.484 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001046955567 763457365 /nfs/dbraw/zinc/45/73/65/763457365.db2.gz DBIIXUIYLQZHKT-CHWSQXEVSA-N 1 1 342.390 0.484 20 30 ECEDMO C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046964176 763475481 /nfs/dbraw/zinc/47/54/81/763475481.db2.gz NBNOKVHIQINBNG-LSDHHAIUSA-N 1 1 343.418 0.802 20 30 ECEDMO N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)cn1 ZINC001105994796 763477390 /nfs/dbraw/zinc/47/73/90/763477390.db2.gz HIFIWXFUTALSFX-STQMWFEESA-N 1 1 341.375 0.011 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001046980126 763501982 /nfs/dbraw/zinc/50/19/82/763501982.db2.gz IILFXDNEWFSALS-LBPRGKRZSA-N 1 1 349.341 0.755 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001046980126 763501989 /nfs/dbraw/zinc/50/19/89/763501989.db2.gz IILFXDNEWFSALS-LBPRGKRZSA-N 1 1 349.341 0.755 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001106931813 763506432 /nfs/dbraw/zinc/50/64/32/763506432.db2.gz NHIJEAQYZKOILE-KBPBESRZSA-N 1 1 330.436 0.761 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(CC)c3)C2)CC1 ZINC001052000736 763557647 /nfs/dbraw/zinc/55/76/47/763557647.db2.gz PHUTVUKZVCFCDZ-KRWDZBQOSA-N 1 1 329.448 0.758 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 ZINC001047023987 763564702 /nfs/dbraw/zinc/56/47/02/763564702.db2.gz WGKUODBKBOIKKX-ABHRYQDASA-N 1 1 328.420 0.853 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001127320451 768145082 /nfs/dbraw/zinc/14/50/82/768145082.db2.gz WXGOSFMEZSVNNE-CYBMUJFWSA-N 1 1 332.408 0.187 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)C1 ZINC001106004450 763597954 /nfs/dbraw/zinc/59/79/54/763597954.db2.gz SBUCWUCMNKOJBD-CVEARBPZSA-N 1 1 345.447 0.820 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C2)CC1 ZINC001052035673 763643250 /nfs/dbraw/zinc/64/32/50/763643250.db2.gz NFXXGPZXASTLSX-AWEZNQCLSA-N 1 1 338.415 0.423 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccn(C)n3)C2)CC1 ZINC001052035736 763643498 /nfs/dbraw/zinc/64/34/98/763643498.db2.gz OMRACDJSRNHNQI-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3ccn(C)n3)C2)CC1 ZINC001052035736 763643505 /nfs/dbraw/zinc/64/35/05/763643505.db2.gz OMRACDJSRNHNQI-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO Cc1c(CCC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cnn1C ZINC001052035815 763644680 /nfs/dbraw/zinc/64/46/80/763644680.db2.gz QQPGIMOPECRIIV-QGZVFWFLSA-N 1 1 344.463 0.403 20 30 ECEDMO N#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001052036328 763648200 /nfs/dbraw/zinc/64/82/00/763648200.db2.gz LKUXGZRVGDNAQO-HZPDHXFCSA-N 1 1 342.447 0.503 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001077574220 763649371 /nfs/dbraw/zinc/64/93/71/763649371.db2.gz JAMZYDNWPNDSCM-JHJVBQTASA-N 1 1 335.370 0.608 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001052043489 763674979 /nfs/dbraw/zinc/67/49/79/763674979.db2.gz ACKHFJUSWBZWCY-KGLIPLIRSA-N 1 1 340.493 0.796 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCn4nccc43)C2)CC1 ZINC001052043998 763676411 /nfs/dbraw/zinc/67/64/11/763676411.db2.gz AFJXSOSNDPFLAB-CVEARBPZSA-N 1 1 342.447 0.503 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C2)CC1 ZINC001052044763 763679781 /nfs/dbraw/zinc/67/97/81/763679781.db2.gz LUHRUEMENLNOMJ-QGZVFWFLSA-N 1 1 342.443 0.804 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)CC1 ZINC001052044932 763681093 /nfs/dbraw/zinc/68/10/93/763681093.db2.gz NWCFJHTUEGABRU-DLBZAZTESA-N 1 1 343.475 0.850 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)CC1 ZINC001052046684 763688524 /nfs/dbraw/zinc/68/85/24/763688524.db2.gz BSGBIDMTTQCYLC-JKSUJKDBSA-N 1 1 349.479 0.182 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)CC1 ZINC001052046684 763688529 /nfs/dbraw/zinc/68/85/29/763688529.db2.gz BSGBIDMTTQCYLC-JKSUJKDBSA-N 1 1 349.479 0.182 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052046894 763688815 /nfs/dbraw/zinc/68/88/15/763688815.db2.gz GIQZYNGVZWVGSR-ROUUACIJSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052046894 763688819 /nfs/dbraw/zinc/68/88/19/763688819.db2.gz GIQZYNGVZWVGSR-ROUUACIJSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)CC1 ZINC001052048890 763699366 /nfs/dbraw/zinc/69/93/66/763699366.db2.gz FLADZCNSCAYAQT-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)CC1 ZINC001052048890 763699371 /nfs/dbraw/zinc/69/93/71/763699371.db2.gz FLADZCNSCAYAQT-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052053743 763720076 /nfs/dbraw/zinc/72/00/76/763720076.db2.gz RBCMRXUZGNHLIR-SJLPKXTDSA-N 1 1 343.475 0.765 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C(C)C)cn3)C2)CC1 ZINC001052058590 763734933 /nfs/dbraw/zinc/73/49/33/763734933.db2.gz YXCIZKPWBZAMJG-INIZCTEOSA-N 1 1 329.448 0.929 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052060784 763741768 /nfs/dbraw/zinc/74/17/68/763741768.db2.gz MCAMVHYOLJNRLJ-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052060784 763741799 /nfs/dbraw/zinc/74/17/99/763741799.db2.gz MCAMVHYOLJNRLJ-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]nc2CC)C1 ZINC000995159632 763794071 /nfs/dbraw/zinc/79/40/71/763794071.db2.gz TXPXBKAZXMKGEQ-HNNXBMFYSA-N 1 1 329.404 0.010 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]nc2CC)C1 ZINC000995159632 763794076 /nfs/dbraw/zinc/79/40/76/763794076.db2.gz TXPXBKAZXMKGEQ-HNNXBMFYSA-N 1 1 329.404 0.010 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc(OCC)c3)C2)CC1 ZINC001052080821 763796399 /nfs/dbraw/zinc/79/63/99/763796399.db2.gz HCAOFPQCUDOIIJ-KRWDZBQOSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C3(CF)CCOCC3)C2)CC1 ZINC001052083489 763805928 /nfs/dbraw/zinc/80/59/28/763805928.db2.gz MKPJPWMBUZPNQU-INIZCTEOSA-N 1 1 337.439 0.604 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603773 763816482 /nfs/dbraw/zinc/81/64/82/763816482.db2.gz OJXJSSVZIRPYMY-RDJZCZTQSA-N 1 1 331.464 0.355 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCOC)C2)CC1 ZINC000941603737 763816784 /nfs/dbraw/zinc/81/67/84/763816784.db2.gz NMQJUJKKQIIWGU-IRXDYDNUSA-N 1 1 337.464 0.442 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)CC2)C1 ZINC000941604343 763817625 /nfs/dbraw/zinc/81/76/25/763817625.db2.gz WQFLUSJWYQYKOU-UHFFFAOYSA-N 1 1 342.403 0.063 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cn[nH]c3)C2)CC1 ZINC001052093188 763836682 /nfs/dbraw/zinc/83/66/82/763836682.db2.gz KZTYIVUKCUDGHT-KRWDZBQOSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H](N3CC[NH+](CC=C)CC3)C2)nn1 ZINC001052096639 763847546 /nfs/dbraw/zinc/84/75/46/763847546.db2.gz NVMHEHVPNZLSRA-INIZCTEOSA-N 1 1 344.463 0.872 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(CC)c3C)C2)CC1 ZINC001052100750 763861088 /nfs/dbraw/zinc/86/10/88/763861088.db2.gz HRSZLSJUFSMGJK-MRXNPFEDSA-N 1 1 329.448 0.677 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(CC)nn3C)C2)CC1 ZINC001052101784 763864067 /nfs/dbraw/zinc/86/40/67/763864067.db2.gz VOPRMNAZGAVRHL-MRXNPFEDSA-N 1 1 329.448 0.448 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106344436 768171459 /nfs/dbraw/zinc/17/14/59/768171459.db2.gz MVYYRAVRCFUWHV-JSGCOSHPSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106344436 768171463 /nfs/dbraw/zinc/17/14/63/768171463.db2.gz MVYYRAVRCFUWHV-JSGCOSHPSA-N 1 1 332.408 0.376 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052105858 763877384 /nfs/dbraw/zinc/87/73/84/763877384.db2.gz SDMVQZWQKCUMCD-QGZVFWFLSA-N 1 1 327.432 0.261 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106335 763879501 /nfs/dbraw/zinc/87/95/01/763879501.db2.gz IIEOOKPWOVYWPC-QGZVFWFLSA-N 1 1 331.464 0.850 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106335 763879513 /nfs/dbraw/zinc/87/95/13/763879513.db2.gz IIEOOKPWOVYWPC-QGZVFWFLSA-N 1 1 331.464 0.850 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001017596799 768171901 /nfs/dbraw/zinc/17/19/01/768171901.db2.gz NKYWWVNXAYUFHD-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106967 763883492 /nfs/dbraw/zinc/88/34/92/763883492.db2.gz YFYCVVAKDKRUSP-DOTOQJQBSA-N 1 1 343.475 0.919 20 30 ECEDMO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)c1cccnc1 ZINC001052107762 763887378 /nfs/dbraw/zinc/88/73/78/763887378.db2.gz GZSYZGVTDUJUOQ-DOTOQJQBSA-N 1 1 327.432 0.927 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)Oc3ccccn3)C2)CC1 ZINC001052108149 763890689 /nfs/dbraw/zinc/89/06/89/763890689.db2.gz KECVEZAXCDRHSJ-IRXDYDNUSA-N 1 1 342.443 0.701 20 30 ECEDMO COc1cccc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052113527 763912497 /nfs/dbraw/zinc/91/24/97/763912497.db2.gz YAJWAETYNAANFE-QGZVFWFLSA-N 1 1 342.443 0.980 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)CC1 ZINC001052116904 763925245 /nfs/dbraw/zinc/92/52/45/763925245.db2.gz AKHANABGRWPZRM-INIZCTEOSA-N 1 1 330.432 0.686 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C2)CC1 ZINC001052123675 763949839 /nfs/dbraw/zinc/94/98/39/763949839.db2.gz MCEFOTLTSAYSNI-OAHLLOKOSA-N 1 1 343.431 0.199 20 30 ECEDMO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047320970 763986122 /nfs/dbraw/zinc/98/61/22/763986122.db2.gz AYQAHJOSWBVFLQ-IKGGRYGDSA-N 1 1 329.400 0.598 20 30 ECEDMO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047320970 763986129 /nfs/dbraw/zinc/98/61/29/763986129.db2.gz AYQAHJOSWBVFLQ-IKGGRYGDSA-N 1 1 329.400 0.598 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(N3CC=CC3)cc2)[C@@H](O)C1 ZINC001083774209 763999653 /nfs/dbraw/zinc/99/96/53/763999653.db2.gz XHCMTFCYJPJXRN-MSOLQXFVSA-N 1 1 325.412 0.861 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3cccn3)CC2)C1=O ZINC001052200926 764043636 /nfs/dbraw/zinc/04/36/36/764043636.db2.gz IYPXZVDOYVSMET-HOTGVXAUSA-N 1 1 345.447 0.641 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001052220535 764080300 /nfs/dbraw/zinc/08/03/00/764080300.db2.gz KSMYEHADDQUBQC-UKRRQHHQSA-N 1 1 334.420 0.605 20 30 ECEDMO Cc1nn(C)cc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353462 764088978 /nfs/dbraw/zinc/08/89/78/764088978.db2.gz BHCVADJOGWCGCN-HOTGVXAUSA-N 1 1 342.403 0.246 20 30 ECEDMO Cc1nn(C)cc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353462 764088988 /nfs/dbraw/zinc/08/89/88/764088988.db2.gz BHCVADJOGWCGCN-HOTGVXAUSA-N 1 1 342.403 0.246 20 30 ECEDMO Cc1nc(C)c(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001047353838 764090214 /nfs/dbraw/zinc/09/02/14/764090214.db2.gz NBWGZSSBZVNTIP-GJZGRUSLSA-N 1 1 343.387 0.809 20 30 ECEDMO Cc1nc(C)c(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001047353838 764090223 /nfs/dbraw/zinc/09/02/23/764090223.db2.gz NBWGZSSBZVNTIP-GJZGRUSLSA-N 1 1 343.387 0.809 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](CNCc3cnon3)C2)CC1 ZINC000995228037 764104573 /nfs/dbraw/zinc/10/45/73/764104573.db2.gz HAFGEKYRXACAHP-ZBFHGGJFSA-N 1 1 345.447 0.789 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001047392320 764196779 /nfs/dbraw/zinc/19/67/79/764196779.db2.gz BJHPMPQCCCOVPD-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)c1 ZINC001052289228 764200217 /nfs/dbraw/zinc/20/02/17/764200217.db2.gz VRWOVNRUSBYTAU-HIFRSBDPSA-N 1 1 329.404 0.749 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001047395939 764206396 /nfs/dbraw/zinc/20/63/96/764206396.db2.gz OLJKJMKFTIJZDA-KBPBESRZSA-N 1 1 340.374 0.656 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001047395939 764206400 /nfs/dbraw/zinc/20/64/00/764206400.db2.gz OLJKJMKFTIJZDA-KBPBESRZSA-N 1 1 340.374 0.656 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398224 764214597 /nfs/dbraw/zinc/21/45/97/764214597.db2.gz GWOWCYODDFATSE-BPUTZDHNSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398224 764214603 /nfs/dbraw/zinc/21/46/03/764214603.db2.gz GWOWCYODDFATSE-BPUTZDHNSA-N 1 1 335.448 0.160 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)F)n2)C1 ZINC001047401819 764227506 /nfs/dbraw/zinc/22/75/06/764227506.db2.gz FRDWOWRJRMSEMI-STQMWFEESA-N 1 1 328.363 0.900 20 30 ECEDMO Cn1cc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC001052318793 764241892 /nfs/dbraw/zinc/24/18/92/764241892.db2.gz LUQGENYWDKTAOC-ZDUSSCGKSA-N 1 1 327.392 0.799 20 30 ECEDMO Cn1cc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC001052318793 764241899 /nfs/dbraw/zinc/24/18/99/764241899.db2.gz LUQGENYWDKTAOC-ZDUSSCGKSA-N 1 1 327.392 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(CC(=C)Cl)C[C@@H]1O ZINC001047415195 764272924 /nfs/dbraw/zinc/27/29/24/764272924.db2.gz MFNLPRLLBBUOKA-KKUMJFAQSA-N 1 1 325.840 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(CC(=C)Cl)C[C@@H]1O ZINC001047415195 764272932 /nfs/dbraw/zinc/27/29/32/764272932.db2.gz MFNLPRLLBBUOKA-KKUMJFAQSA-N 1 1 325.840 0.340 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)C1 ZINC001106068768 764296746 /nfs/dbraw/zinc/29/67/46/764296746.db2.gz HOOGMUTXTTVFKD-ZFWWWQNUSA-N 1 1 346.435 0.359 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)C1 ZINC001106070325 764310149 /nfs/dbraw/zinc/31/01/49/764310149.db2.gz PHZXKBSUVBUEIE-HZPDHXFCSA-N 1 1 345.447 0.964 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(C)nc(C)n3)C2)C1=O ZINC001032050204 764311561 /nfs/dbraw/zinc/31/15/61/764311561.db2.gz PFGLYZPRYUTMBC-INIZCTEOSA-N 1 1 343.431 0.542 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc3sccn32)C1 ZINC001047427788 764314210 /nfs/dbraw/zinc/31/42/10/764314210.db2.gz IDCKORWNRAWRII-STQMWFEESA-N 1 1 332.429 0.845 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc3sccn32)C1 ZINC001047427788 764314221 /nfs/dbraw/zinc/31/42/21/764314221.db2.gz IDCKORWNRAWRII-STQMWFEESA-N 1 1 332.429 0.845 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001047427958 764314905 /nfs/dbraw/zinc/31/49/05/764314905.db2.gz QEOQEALQULFBGQ-PMPSAXMXSA-N 1 1 332.448 0.834 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001047435709 764337170 /nfs/dbraw/zinc/33/71/70/764337170.db2.gz MYIBVNMJKNEHAT-IRXDYDNUSA-N 1 1 339.399 0.612 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001047435709 764337177 /nfs/dbraw/zinc/33/71/77/764337177.db2.gz MYIBVNMJKNEHAT-IRXDYDNUSA-N 1 1 339.399 0.612 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001047439187 764348508 /nfs/dbraw/zinc/34/85/08/764348508.db2.gz AITOTRHZQLGSLN-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001047448839 764378148 /nfs/dbraw/zinc/37/81/48/764378148.db2.gz YRAFNEJPNMFCPO-IRXDYDNUSA-N 1 1 329.400 0.324 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001047448839 764378156 /nfs/dbraw/zinc/37/81/56/764378156.db2.gz YRAFNEJPNMFCPO-IRXDYDNUSA-N 1 1 329.400 0.324 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cccc(Cl)c23)C1 ZINC001047451185 764386516 /nfs/dbraw/zinc/38/65/16/764386516.db2.gz UDBFBYNICZEBQN-KBPBESRZSA-N 1 1 332.791 0.738 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cccc(Cl)c23)C1 ZINC001047451185 764386519 /nfs/dbraw/zinc/38/65/19/764386519.db2.gz UDBFBYNICZEBQN-KBPBESRZSA-N 1 1 332.791 0.738 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ccnc2OC)C1 ZINC001047453859 764396782 /nfs/dbraw/zinc/39/67/82/764396782.db2.gz SJIBQBIDHPJRBF-STQMWFEESA-N 1 1 335.404 0.792 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ccnc2OC)C1 ZINC001047453859 764396789 /nfs/dbraw/zinc/39/67/89/764396789.db2.gz SJIBQBIDHPJRBF-STQMWFEESA-N 1 1 335.404 0.792 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)n3ccccc23)C1 ZINC001047456964 764401043 /nfs/dbraw/zinc/40/10/43/764401043.db2.gz IZRWMTPWNZJCSL-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001047461080 764414863 /nfs/dbraw/zinc/41/48/63/764414863.db2.gz VQUMTFAAEWYHEE-STQMWFEESA-N 1 1 329.356 0.674 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001047461080 764414871 /nfs/dbraw/zinc/41/48/71/764414871.db2.gz VQUMTFAAEWYHEE-STQMWFEESA-N 1 1 329.356 0.674 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001047462510 764418234 /nfs/dbraw/zinc/41/82/34/764418234.db2.gz GLJXUNQOSLVWFY-JYJNAYRXSA-N 1 1 347.463 0.700 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001047467564 764427229 /nfs/dbraw/zinc/42/72/29/764427229.db2.gz HPMMNFLFIGSSJD-GJZGRUSLSA-N 1 1 343.387 0.060 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015357537 764430764 /nfs/dbraw/zinc/43/07/64/764430764.db2.gz QIEGUWJLGVORRM-BBWFWOEESA-N 1 1 337.464 0.633 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001047470506 764434959 /nfs/dbraw/zinc/43/49/59/764434959.db2.gz RYKOVAFNQGZRSS-IHRRRGAJSA-N 1 1 334.445 0.249 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001047470506 764434964 /nfs/dbraw/zinc/43/49/64/764434964.db2.gz RYKOVAFNQGZRSS-IHRRRGAJSA-N 1 1 334.445 0.249 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001047471041 764436339 /nfs/dbraw/zinc/43/63/39/764436339.db2.gz IFGCWHWEPWJODO-IHRRRGAJSA-N 1 1 347.406 0.032 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001047479246 764464736 /nfs/dbraw/zinc/46/47/36/764464736.db2.gz LIDOIIGADJPCTO-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001047479702 764467761 /nfs/dbraw/zinc/46/77/61/764467761.db2.gz VHFWGNABSGEAEB-ROUUACIJSA-N 1 1 343.427 0.810 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CNC(=O)C1 ZINC001015374652 764470626 /nfs/dbraw/zinc/47/06/26/764470626.db2.gz DPCCVRZWDPOJTJ-YJBOKZPZSA-N 1 1 326.400 0.775 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)[C@H]1C ZINC001088947760 764579761 /nfs/dbraw/zinc/57/97/61/764579761.db2.gz RLDSFPUJDUGTAE-KFWWJZLASA-N 1 1 331.420 0.531 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)[C@H]1C ZINC001088947760 764579768 /nfs/dbraw/zinc/57/97/68/764579768.db2.gz RLDSFPUJDUGTAE-KFWWJZLASA-N 1 1 331.420 0.531 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC4(CC4)C3)C2)C1=O ZINC001047523339 764584569 /nfs/dbraw/zinc/58/45/69/764584569.db2.gz WSTPKOLHVMRSQU-PMPSAXMXSA-N 1 1 347.459 0.467 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC4(CC4)C3)C2)C1=O ZINC001047523339 764584576 /nfs/dbraw/zinc/58/45/76/764584576.db2.gz WSTPKOLHVMRSQU-PMPSAXMXSA-N 1 1 347.459 0.467 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC001052492341 764613414 /nfs/dbraw/zinc/61/34/14/764613414.db2.gz DKIFFZZREBHXEL-UPJWGTAASA-N 1 1 334.338 0.937 20 30 ECEDMO C[C@H](CCNc1ccncc1C#N)NC(=O)CC[NH+]1CCOCC1 ZINC001106382311 768227403 /nfs/dbraw/zinc/22/74/03/768227403.db2.gz BTGJJTXZRMZWBT-CQSZACIVSA-N 1 1 331.420 0.404 20 30 ECEDMO C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)CC[NH+]1CCOCC1 ZINC001106382876 768228220 /nfs/dbraw/zinc/22/82/20/768228220.db2.gz JEKIMQIWDPALIA-ZDUSSCGKSA-N 1 1 332.408 0.377 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001099071673 764671726 /nfs/dbraw/zinc/67/17/26/764671726.db2.gz FOYGYEXLPQTSMF-DZKIICNBSA-N 1 1 341.477 0.567 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2C)nc1 ZINC001088987446 764706919 /nfs/dbraw/zinc/70/69/19/764706919.db2.gz BIXFNNVXKMTZDL-HIFRSBDPSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)nc1 ZINC001088987446 764706926 /nfs/dbraw/zinc/70/69/26/764706926.db2.gz BIXFNNVXKMTZDL-HIFRSBDPSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001047567073 764711687 /nfs/dbraw/zinc/71/16/87/764711687.db2.gz ZMYOIIPMSWKTDD-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001047567073 764711699 /nfs/dbraw/zinc/71/16/99/764711699.db2.gz ZMYOIIPMSWKTDD-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cccc(OC)c23)C1 ZINC001047567845 764714503 /nfs/dbraw/zinc/71/45/03/764714503.db2.gz YIYJIFBLLRVBMD-GJZGRUSLSA-N 1 1 342.399 0.483 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cccc(OC)c23)C1 ZINC001047567845 764714506 /nfs/dbraw/zinc/71/45/06/764714506.db2.gz YIYJIFBLLRVBMD-GJZGRUSLSA-N 1 1 342.399 0.483 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001047569964 764721717 /nfs/dbraw/zinc/72/17/17/764721717.db2.gz OQJVXQVNHWZBLJ-GJZGRUSLSA-N 1 1 330.388 0.180 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001047570176 764723118 /nfs/dbraw/zinc/72/31/18/764723118.db2.gz VBNHTYRQNMEODE-GJZGRUSLSA-N 1 1 330.388 0.180 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001047570176 764723127 /nfs/dbraw/zinc/72/31/27/764723127.db2.gz VBNHTYRQNMEODE-GJZGRUSLSA-N 1 1 330.388 0.180 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001047572258 764732568 /nfs/dbraw/zinc/73/25/68/764732568.db2.gz KUYZETLCMSOCBU-ULQDDVLXSA-N 1 1 343.427 0.941 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2OCCCO3)C1 ZINC001047576245 764748760 /nfs/dbraw/zinc/74/87/60/764748760.db2.gz BQTIVDVHHMZNTQ-HOTGVXAUSA-N 1 1 344.411 0.988 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2OCCCO3)C1 ZINC001047577040 764751223 /nfs/dbraw/zinc/75/12/23/764751223.db2.gz XIMPXRLHGQHOPK-HOTGVXAUSA-N 1 1 344.411 0.988 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2OCCCO3)C1 ZINC001047577040 764751233 /nfs/dbraw/zinc/75/12/33/764751233.db2.gz XIMPXRLHGQHOPK-HOTGVXAUSA-N 1 1 344.411 0.988 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1C[NH+](Cc2cnn(C)c2)C1 ZINC001032136194 764786417 /nfs/dbraw/zinc/78/64/17/764786417.db2.gz FHIRJQXWFXKANM-UHFFFAOYSA-N 1 1 339.399 0.689 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001047592223 764806756 /nfs/dbraw/zinc/80/67/56/764806756.db2.gz HEHRUCHECXHGAB-IHRRRGAJSA-N 1 1 335.404 0.144 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC1=O ZINC001015502236 764814267 /nfs/dbraw/zinc/81/42/67/764814267.db2.gz DSTOANJTFRXBDW-CVEARBPZSA-N 1 1 329.375 0.504 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC1=O ZINC001015502236 764814275 /nfs/dbraw/zinc/81/42/75/764814275.db2.gz DSTOANJTFRXBDW-CVEARBPZSA-N 1 1 329.375 0.504 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001047594076 764815280 /nfs/dbraw/zinc/81/52/80/764815280.db2.gz OOWBXPWHFOPCQS-GQGLESIBSA-N 1 1 349.475 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001047594076 764815289 /nfs/dbraw/zinc/81/52/89/764815289.db2.gz OOWBXPWHFOPCQS-GQGLESIBSA-N 1 1 349.475 0.408 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001047594274 764816522 /nfs/dbraw/zinc/81/65/22/764816522.db2.gz UWRKOHJPWXUBGB-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001052598825 764826999 /nfs/dbraw/zinc/82/69/99/764826999.db2.gz JLXFZLGZMOZGLS-ZBFHGGJFSA-N 1 1 346.431 0.442 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C)nn2)C1 ZINC001047598998 764834642 /nfs/dbraw/zinc/83/46/42/764834642.db2.gz CXCFRXLWBWALCF-GJZGRUSLSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC001052607794 764841617 /nfs/dbraw/zinc/84/16/17/764841617.db2.gz SSOZEBFWYZAZGN-CQSZACIVSA-N 1 1 329.404 0.653 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)nc1 ZINC001047602062 764846614 /nfs/dbraw/zinc/84/66/14/764846614.db2.gz XTOAJIKUVUEZEK-NJAFHUGGSA-N 1 1 343.427 0.749 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CC(=O)N(C)C1=O ZINC001089888409 764870577 /nfs/dbraw/zinc/87/05/77/764870577.db2.gz FYBIVTKJPWINKQ-XQLPTFJDSA-N 1 1 346.431 0.235 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001047613859 764882841 /nfs/dbraw/zinc/88/28/41/764882841.db2.gz OFCHCNIKQWKENI-BZSNNMDCSA-N 1 1 328.412 0.655 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001047613859 764882849 /nfs/dbraw/zinc/88/28/49/764882849.db2.gz OFCHCNIKQWKENI-BZSNNMDCSA-N 1 1 328.412 0.655 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1OC ZINC001212194776 764883942 /nfs/dbraw/zinc/88/39/42/764883942.db2.gz WTCASSKZPPSIMG-BFYDXBDKSA-N 1 1 326.437 0.556 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001047616584 764893929 /nfs/dbraw/zinc/89/39/29/764893929.db2.gz ZLWGAFHCYPFEOB-GJZGRUSLSA-N 1 1 334.416 0.936 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001047618990 764899269 /nfs/dbraw/zinc/89/92/69/764899269.db2.gz YDYZDJOFVKJUTI-GJZGRUSLSA-N 1 1 330.388 0.318 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)CC1 ZINC001052659993 764951226 /nfs/dbraw/zinc/95/12/26/764951226.db2.gz SFTPDNBMYYKHLX-CABCVRRESA-N 1 1 329.448 0.914 20 30 ECEDMO C[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)Nc1ccnc(C#N)n1 ZINC001098284873 764967124 /nfs/dbraw/zinc/96/71/24/764967124.db2.gz MURWOWAJPPBEKX-SJKOYZFVSA-N 1 1 348.426 0.899 20 30 ECEDMO C[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)Nc1ccnc(C#N)n1 ZINC001098284871 764967517 /nfs/dbraw/zinc/96/75/17/764967517.db2.gz MURWOWAJPPBEKX-PXAZEXFGSA-N 1 1 348.426 0.899 20 30 ECEDMO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1)[C@H]1CNC(=O)N1 ZINC001052670567 764969649 /nfs/dbraw/zinc/96/96/49/764969649.db2.gz GBBZTCAGQKQEPC-IAGOWNOFSA-N 1 1 340.427 0.690 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)nn1 ZINC001098775310 765013256 /nfs/dbraw/zinc/01/32/56/765013256.db2.gz XUGQSOMPBVYDGS-MRXNPFEDSA-N 1 1 332.452 0.506 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001098775310 765013262 /nfs/dbraw/zinc/01/32/62/765013262.db2.gz XUGQSOMPBVYDGS-MRXNPFEDSA-N 1 1 332.452 0.506 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CN(C)C(=O)COC ZINC001099102655 765075020 /nfs/dbraw/zinc/07/50/20/765075020.db2.gz PNQLNVSRUJJCAN-AWEZNQCLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC000991996557 765099235 /nfs/dbraw/zinc/09/92/35/765099235.db2.gz CHNJEGDDJVCRTO-UHFFFAOYSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001052784152 765115800 /nfs/dbraw/zinc/11/58/00/765115800.db2.gz XBTDZBRLHWHSSA-JKSUJKDBSA-N 1 1 337.464 0.577 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786541 765119989 /nfs/dbraw/zinc/11/99/89/765119989.db2.gz XMOQQZFZKFBGDR-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001015675599 765147457 /nfs/dbraw/zinc/14/74/57/765147457.db2.gz BVELIZVRADQJLP-CYBMUJFWSA-N 1 1 334.420 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3nnc[nH]3)CC2)C1=O ZINC001052805282 765155652 /nfs/dbraw/zinc/15/56/52/765155652.db2.gz NXZHDFNNYLWSRW-CHWSQXEVSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001052805282 765155654 /nfs/dbraw/zinc/15/56/54/765155654.db2.gz NXZHDFNNYLWSRW-CHWSQXEVSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001052805282 765155657 /nfs/dbraw/zinc/15/56/57/765155657.db2.gz NXZHDFNNYLWSRW-CHWSQXEVSA-N 1 1 332.408 0.176 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC001052820343 765179255 /nfs/dbraw/zinc/17/92/55/765179255.db2.gz ODKJKHGDHXEIIS-ZDUSSCGKSA-N 1 1 332.404 0.733 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CCNC1=O ZINC001015696189 765179379 /nfs/dbraw/zinc/17/93/79/765179379.db2.gz WNRNWLKHYVITNB-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CCNC1=O ZINC001015696189 765179383 /nfs/dbraw/zinc/17/93/83/765179383.db2.gz WNRNWLKHYVITNB-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001015697572 765183344 /nfs/dbraw/zinc/18/33/44/765183344.db2.gz WHMWKQXRVNLCEN-YESZJQIVSA-N 1 1 341.411 0.262 20 30 ECEDMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001015697572 765183347 /nfs/dbraw/zinc/18/33/47/765183347.db2.gz WHMWKQXRVNLCEN-YESZJQIVSA-N 1 1 341.411 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001052849224 765222671 /nfs/dbraw/zinc/22/26/71/765222671.db2.gz OVUQEMWIICZCAN-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001052849224 765222675 /nfs/dbraw/zinc/22/26/75/765222675.db2.gz OVUQEMWIICZCAN-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC001052856262 765238137 /nfs/dbraw/zinc/23/81/37/765238137.db2.gz AXCNXYFUUHPECW-CQSZACIVSA-N 1 1 346.431 0.977 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001052863327 765247126 /nfs/dbraw/zinc/24/71/26/765247126.db2.gz KRLXWTLXWRTBEM-CQSZACIVSA-N 1 1 336.436 0.817 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000992039983 765253788 /nfs/dbraw/zinc/25/37/88/765253788.db2.gz XGBDOZSQKYBSGC-ABIUDSBCSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)COC)C[C@@H](C)O2 ZINC001111532455 765269515 /nfs/dbraw/zinc/26/95/15/765269515.db2.gz YHMRWOFEBPENOS-CQSZACIVSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C)[nH]c3=O)C2)C1=O ZINC001015757072 765273354 /nfs/dbraw/zinc/27/33/54/765273354.db2.gz FAOFWKQOEFQUPR-DZGCQCFKSA-N 1 1 344.415 0.687 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)[nH]c3=O)C2)C1=O ZINC001015757072 765273360 /nfs/dbraw/zinc/27/33/60/765273360.db2.gz FAOFWKQOEFQUPR-DZGCQCFKSA-N 1 1 344.415 0.687 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001017671513 768278235 /nfs/dbraw/zinc/27/82/35/768278235.db2.gz SYSKRDSDVDPQMU-BETUJISGSA-N 1 1 337.401 0.239 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001017671513 768278238 /nfs/dbraw/zinc/27/82/38/768278238.db2.gz SYSKRDSDVDPQMU-BETUJISGSA-N 1 1 337.401 0.239 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)CC2)cn1 ZINC001052879392 765288055 /nfs/dbraw/zinc/28/80/55/765288055.db2.gz VYGPCJVUHAYLFR-CJNGLKHVSA-N 1 1 328.416 0.782 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)cc1 ZINC001015809766 765366852 /nfs/dbraw/zinc/36/68/52/765366852.db2.gz UMCFDTZPQAPUCX-RDJZCZTQSA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)cc1 ZINC001015809766 765366856 /nfs/dbraw/zinc/36/68/56/765366856.db2.gz UMCFDTZPQAPUCX-RDJZCZTQSA-N 1 1 341.411 0.781 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCc3ccnn3C)C2)nn1 ZINC001015810581 765368771 /nfs/dbraw/zinc/36/87/71/765368771.db2.gz MYAVEGWQMFVKHR-CYBMUJFWSA-N 1 1 329.408 0.244 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)C2)nn1 ZINC001015820204 765382650 /nfs/dbraw/zinc/38/26/50/765382650.db2.gz CTNXLHVGTPKBAE-AWEZNQCLSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)nn1 ZINC001015820204 765382653 /nfs/dbraw/zinc/38/26/53/765382653.db2.gz CTNXLHVGTPKBAE-AWEZNQCLSA-N 1 1 346.435 0.281 20 30 ECEDMO CN(CCOCCNc1ncccc1C#N)C(=O)[C@H]1CCC[N@H+]1C ZINC001127232489 765436636 /nfs/dbraw/zinc/43/66/36/765436636.db2.gz APTCTVQZMAYPGA-OAHLLOKOSA-N 1 1 331.420 0.934 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3nonc3C)CC2)C1=O ZINC001052973905 765439649 /nfs/dbraw/zinc/43/96/49/765439649.db2.gz FWGNFJKBPAGOEF-UONOGXRCSA-N 1 1 347.419 0.749 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(CC)c3C)C2)C1=O ZINC001015894006 765507471 /nfs/dbraw/zinc/50/74/71/765507471.db2.gz VTFVMAOWMHBKOR-GDBMZVCRSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(CC)c3C)C2)C1=O ZINC001015894006 765507476 /nfs/dbraw/zinc/50/74/76/765507476.db2.gz VTFVMAOWMHBKOR-GDBMZVCRSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001053036310 765512262 /nfs/dbraw/zinc/51/22/62/765512262.db2.gz JZLYESQIEXWRPG-SJORKVTESA-N 1 1 348.491 0.555 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000992119645 765550649 /nfs/dbraw/zinc/55/06/49/765550649.db2.gz CNUOGNKSHZATAV-MOKVOYLWSA-N 1 1 346.435 0.040 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001015956636 765608046 /nfs/dbraw/zinc/60/80/46/765608046.db2.gz FLISSAIJZZUNGG-CQSZACIVSA-N 1 1 333.436 0.538 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)cn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001127237770 765678309 /nfs/dbraw/zinc/67/83/09/765678309.db2.gz PAHDCJDMGAJSSW-OAHLLOKOSA-N 1 1 347.419 0.171 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)cn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001127237770 765678311 /nfs/dbraw/zinc/67/83/11/765678311.db2.gz PAHDCJDMGAJSSW-OAHLLOKOSA-N 1 1 347.419 0.171 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(CC=C)C3=O)C2)nc1 ZINC001016026783 765729970 /nfs/dbraw/zinc/72/99/70/765729970.db2.gz JJGJHYTXOMREJP-NVXWUHKLSA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(CC=C)C3=O)C2)nc1 ZINC001016026783 765729975 /nfs/dbraw/zinc/72/99/75/765729975.db2.gz JJGJHYTXOMREJP-NVXWUHKLSA-N 1 1 338.411 0.654 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)ccc1F ZINC000992165195 765730000 /nfs/dbraw/zinc/73/00/00/765730000.db2.gz ZQGJISXRBOVBRP-PBHICJAKSA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)ccc1F ZINC000992165195 765730005 /nfs/dbraw/zinc/73/00/05/765730005.db2.gz ZQGJISXRBOVBRP-PBHICJAKSA-N 1 1 330.363 0.796 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C#N ZINC001106104917 765757266 /nfs/dbraw/zinc/75/72/66/765757266.db2.gz QYTAECJTUUZUPA-DOMZBBRYSA-N 1 1 331.420 0.493 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCOC3(C[NH+](CC[C@H]4CCOC4)C3)C2)[nH]1 ZINC001053223740 765787643 /nfs/dbraw/zinc/78/76/43/765787643.db2.gz GFVIUXMQOOSTLK-AWEZNQCLSA-N 1 1 344.415 0.840 20 30 ECEDMO N#Cc1cc(C(=O)N2CCOC3(C[NH+](C[C@@H]4CCOC4)C3)C2)c[nH]1 ZINC001053227277 765795662 /nfs/dbraw/zinc/79/56/62/765795662.db2.gz XSFSIYBBPPRSNJ-ZDUSSCGKSA-N 1 1 330.388 0.450 20 30 ECEDMO Cc1cc(NC[C@@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)c(C#N)cn1 ZINC001106108531 765858127 /nfs/dbraw/zinc/85/81/27/765858127.db2.gz KFWGHPCBSATCNH-DZGCQCFKSA-N 1 1 331.420 0.057 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)C1 ZINC001106108633 765858587 /nfs/dbraw/zinc/85/85/87/765858587.db2.gz MHHZTOJBXHVGMI-AWEZNQCLSA-N 1 1 331.420 0.574 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H](O)CNc1ccc(C#N)nc1)CC(C)(C)C ZINC001106108747 765858956 /nfs/dbraw/zinc/85/89/56/765858956.db2.gz NRWHMGZQOLDYBU-OAHLLOKOSA-N 1 1 333.436 0.820 20 30 ECEDMO Cc1nsc(NC[C@@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)c1C#N ZINC001106108797 765860756 /nfs/dbraw/zinc/86/07/56/765860756.db2.gz PMUWVTHWAYIJBP-JQWIXIFHSA-N 1 1 337.449 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2ccoc2)C1 ZINC000992206187 765891060 /nfs/dbraw/zinc/89/10/60/765891060.db2.gz HZMPBFNHMHJURA-JCYILVPMSA-N 1 1 343.427 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2ccoc2)C1 ZINC000992206187 765891063 /nfs/dbraw/zinc/89/10/63/765891063.db2.gz HZMPBFNHMHJURA-JCYILVPMSA-N 1 1 343.427 0.931 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(CC[C@@H](C)F)C2)C1 ZINC001053291280 765920463 /nfs/dbraw/zinc/92/04/63/765920463.db2.gz HDQJTLVHHHPKAU-CVEARBPZSA-N 1 1 337.439 0.745 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(CC[C@@H](C)F)C2)C1 ZINC001053291280 765920471 /nfs/dbraw/zinc/92/04/71/765920471.db2.gz HDQJTLVHHHPKAU-CVEARBPZSA-N 1 1 337.439 0.745 20 30 ECEDMO NC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c[nH]1 ZINC001016272285 766015638 /nfs/dbraw/zinc/01/56/38/766015638.db2.gz LUZPCCVUXRPJFL-INIZCTEOSA-N 1 1 336.395 0.969 20 30 ECEDMO NC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c[nH]1 ZINC001016272285 766015645 /nfs/dbraw/zinc/01/56/45/766015645.db2.gz LUZPCCVUXRPJFL-INIZCTEOSA-N 1 1 336.395 0.969 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)CCO2 ZINC001053390918 766069417 /nfs/dbraw/zinc/06/94/17/766069417.db2.gz BMWJWXWMZJWXKV-UHFFFAOYSA-N 1 1 332.404 0.984 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3nn(C)cc32)[C@@H](O)C1 ZINC001083730004 768346631 /nfs/dbraw/zinc/34/66/31/768346631.db2.gz LFEMAFZPRJFCOU-XKQJLSEDSA-N 1 1 332.448 0.968 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001016325495 766116550 /nfs/dbraw/zinc/11/65/50/766116550.db2.gz LJNJGZCCPSYTOD-JCYILVPMSA-N 1 1 340.427 0.876 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCOC3(CN(CC#N)C3)C1)C2 ZINC001053429062 766117144 /nfs/dbraw/zinc/11/71/44/766117144.db2.gz DNECLPJCJOZROM-CQSZACIVSA-N 1 1 329.404 0.191 20 30 ECEDMO C=CCn1cc(C(=O)N2CCOC3(C[NH+](CC4CCC4)C3)C2)nn1 ZINC001053463981 766176443 /nfs/dbraw/zinc/17/64/43/766176443.db2.gz UHPOHDVMAXOKCJ-UHFFFAOYSA-N 1 1 331.420 0.791 20 30 ECEDMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083686559 766218599 /nfs/dbraw/zinc/21/85/99/766218599.db2.gz YNOREBUQJHSXQC-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083686559 766218605 /nfs/dbraw/zinc/21/86/05/766218605.db2.gz YNOREBUQJHSXQC-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCCO)CC3)nn1 ZINC000992312466 766237644 /nfs/dbraw/zinc/23/76/44/766237644.db2.gz BLFXPAYZANNYAM-RDJZCZTQSA-N 1 1 333.436 0.963 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCN(C)S3(=O)=O)CCC[C@H]12 ZINC000992315596 766247206 /nfs/dbraw/zinc/24/72/06/766247206.db2.gz VAASLQQDLNOYEP-IJEWVQPXSA-N 1 1 341.477 0.710 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)s1 ZINC001016432231 766289481 /nfs/dbraw/zinc/28/94/81/766289481.db2.gz UWEANVVRIPRFPT-GHMZBOCLSA-N 1 1 346.412 0.363 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)s1 ZINC001016432231 766289488 /nfs/dbraw/zinc/28/94/88/766289488.db2.gz UWEANVVRIPRFPT-GHMZBOCLSA-N 1 1 346.412 0.363 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)s1 ZINC001016432233 766290248 /nfs/dbraw/zinc/29/02/48/766290248.db2.gz UWEANVVRIPRFPT-MNOVXSKESA-N 1 1 346.412 0.363 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)s1 ZINC001016432233 766290254 /nfs/dbraw/zinc/29/02/54/766290254.db2.gz UWEANVVRIPRFPT-MNOVXSKESA-N 1 1 346.412 0.363 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)c1 ZINC001016433092 766291248 /nfs/dbraw/zinc/29/12/48/766291248.db2.gz XZYJPGIEJRODQL-GJZGRUSLSA-N 1 1 340.383 0.302 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CCC)S(N)(=O)=O ZINC001099153145 766328640 /nfs/dbraw/zinc/32/86/40/766328640.db2.gz GQUVNHSZUKCLNR-ZIAGYGMSSA-N 1 1 343.493 0.684 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CCC)S(N)(=O)=O ZINC001099153145 766328646 /nfs/dbraw/zinc/32/86/46/766328646.db2.gz GQUVNHSZUKCLNR-ZIAGYGMSSA-N 1 1 343.493 0.684 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn3c2nc(C)cc3C)[C@@H](O)C1 ZINC001083690534 766344251 /nfs/dbraw/zinc/34/42/51/766344251.db2.gz YEMWMYUUBJGMBR-CABCVRRESA-N 1 1 329.404 0.697 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn3c2nc(C)cc3C)[C@@H](O)C1 ZINC001083690534 766344253 /nfs/dbraw/zinc/34/42/53/766344253.db2.gz YEMWMYUUBJGMBR-CABCVRRESA-N 1 1 329.404 0.697 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCOCC1 ZINC001045775790 766353462 /nfs/dbraw/zinc/35/34/62/766353462.db2.gz RIDPPRQWCFTOSO-SJORKVTESA-N 1 1 345.443 0.324 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCOCC1 ZINC001045775790 766353472 /nfs/dbraw/zinc/35/34/72/766353472.db2.gz RIDPPRQWCFTOSO-SJORKVTESA-N 1 1 345.443 0.324 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001045785285 766368939 /nfs/dbraw/zinc/36/89/39/766368939.db2.gz LPPQTBOHJMZHMA-CABCVRRESA-N 1 1 349.475 0.620 20 30 ECEDMO C=CCN1CC[C@H](N2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001031666919 766392761 /nfs/dbraw/zinc/39/27/61/766392761.db2.gz UAYJGQMHMSRXET-IRXDYDNUSA-N 1 1 348.491 0.694 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn3c(n1)CCC3)O2 ZINC001053602579 766412045 /nfs/dbraw/zinc/41/20/45/766412045.db2.gz JTYNMODWJBQKPB-AWEZNQCLSA-N 1 1 328.416 0.816 20 30 ECEDMO N#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCc3[nH+]ccn31)O2 ZINC001053608877 766425935 /nfs/dbraw/zinc/42/59/35/766425935.db2.gz NKWQINAPTGSXJT-UONOGXRCSA-N 1 1 329.404 0.634 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001016522867 766428058 /nfs/dbraw/zinc/42/80/58/766428058.db2.gz NAGNVBOIJVZUEL-PIMMBPRGSA-N 1 1 346.435 0.278 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3n(n1)CCO3)O2 ZINC001053610353 766429081 /nfs/dbraw/zinc/42/90/81/766429081.db2.gz NGOZPQQFJJTUKD-ZDUSSCGKSA-N 1 1 330.388 0.262 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001031678598 766442099 /nfs/dbraw/zinc/44/20/99/766442099.db2.gz PDAAZXINRFRSKL-CABCVRRESA-N 1 1 349.431 0.165 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(CCF)c1)O2 ZINC001053620987 766456538 /nfs/dbraw/zinc/45/65/38/766456538.db2.gz YTPXDWUSKSMYCT-HNNXBMFYSA-N 1 1 334.395 0.839 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992401848 766488418 /nfs/dbraw/zinc/48/84/18/766488418.db2.gz YKANKCCZCNJAJI-DYVFJYSZSA-N 1 1 332.404 0.017 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cn(CCOC)nn1)C2 ZINC001045937728 766509608 /nfs/dbraw/zinc/50/96/08/766509608.db2.gz JDVNIQVMUHBANS-GOSISDBHSA-N 1 1 345.447 0.876 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1)O2 ZINC001053649438 766511325 /nfs/dbraw/zinc/51/13/25/766511325.db2.gz MADFVXYRNJFBTK-DLBZAZTESA-N 1 1 349.475 0.469 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001045943357 766513528 /nfs/dbraw/zinc/51/35/28/766513528.db2.gz ILWLBKAKORTAGU-KBXCAEBGSA-N 1 1 346.431 0.312 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cn([C@@H]4CCOC4)nn3)CCC[C@@H]12 ZINC000992412817 766518750 /nfs/dbraw/zinc/51/87/50/766518750.db2.gz CHHDVAOOQSHTFG-QGPMSJSTSA-N 1 1 343.431 0.990 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 ZINC001045956606 766527446 /nfs/dbraw/zinc/52/74/46/766527446.db2.gz QNDXUFMSMWDOBY-MAUKXSAKSA-N 1 1 332.448 0.738 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@H]12 ZINC000992423136 766533817 /nfs/dbraw/zinc/53/38/17/766533817.db2.gz DAGRDSJRCIBFOU-GUYCJALGSA-N 1 1 340.387 0.168 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001045984910 766555799 /nfs/dbraw/zinc/55/57/99/766555799.db2.gz KCIYOQNWLYGGHN-GDBMZVCRSA-N 1 1 339.461 0.016 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(N)=O)C2 ZINC001045986909 766558846 /nfs/dbraw/zinc/55/88/46/766558846.db2.gz DQSOAZXNRZMYDV-MAUKXSAKSA-N 1 1 332.448 0.867 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cn([C@H]4CCOC4)nn3)CCC[C@@H]12 ZINC000992434516 766559431 /nfs/dbraw/zinc/55/94/31/766559431.db2.gz UDOGLMGYOHSBEO-YSVLISHTSA-N 1 1 329.404 0.600 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001045988702 766563604 /nfs/dbraw/zinc/56/36/04/766563604.db2.gz UMIJTAVYHWUEFT-KDOFPFPSSA-N 1 1 333.432 0.930 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001045988598 766563631 /nfs/dbraw/zinc/56/36/31/766563631.db2.gz RSANGDLAEPDWFM-KXBFYZLASA-N 1 1 345.443 0.767 20 30 ECEDMO COCC(=O)N1CCN([C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC001045989407 766564330 /nfs/dbraw/zinc/56/43/30/766564330.db2.gz IMRVHXSPHHETRC-IBGZPJMESA-N 1 1 341.455 0.903 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@@H]12 ZINC000992436775 766566077 /nfs/dbraw/zinc/56/60/77/766566077.db2.gz XGBKKGIBQVFJFM-DYVFJYSZSA-N 1 1 342.403 0.721 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](N3CCN(C(=O)C4CC4)CC3)C2)C1=O ZINC001045991681 766572748 /nfs/dbraw/zinc/57/27/48/766572748.db2.gz CLVYANBULSKEBM-IRXDYDNUSA-N 1 1 346.475 0.402 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12 ZINC000992445404 766583819 /nfs/dbraw/zinc/58/38/19/766583819.db2.gz ADKJIYRJBYKQKG-PBHICJAKSA-N 1 1 333.436 0.580 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1OC ZINC001212257451 766588798 /nfs/dbraw/zinc/58/87/98/766588798.db2.gz CCNZJSGCAKFUHH-BMGDILEWSA-N 1 1 346.427 0.533 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 ZINC001045999918 766598120 /nfs/dbraw/zinc/59/81/20/766598120.db2.gz LUGJSOPPBDKDNB-KRWDZBQOSA-N 1 1 330.432 0.728 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCN(C(C)=O)C1)O2 ZINC001053691278 766599348 /nfs/dbraw/zinc/59/93/48/766599348.db2.gz YWDIGTUHBIIHPZ-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3C)CC2)C1 ZINC001046003839 766609572 /nfs/dbraw/zinc/60/95/72/766609572.db2.gz LKQMTUYJURJMCM-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC001089280117 766626250 /nfs/dbraw/zinc/62/62/50/766626250.db2.gz KNPKEXPRDSZAHN-NEPJUHHUSA-N 1 1 331.420 0.928 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC001046011369 766635732 /nfs/dbraw/zinc/63/57/32/766635732.db2.gz COENAHFPCAERJW-HOCLYGCPSA-N 1 1 330.436 0.298 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CCN(C(N)=O)CC3)CCC[C@H]12 ZINC000992467760 766644346 /nfs/dbraw/zinc/64/43/46/766644346.db2.gz VQNGBOZXVCHGDY-YJBOKZPZSA-N 1 1 332.448 0.914 20 30 ECEDMO COCC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046020907 766664936 /nfs/dbraw/zinc/66/49/36/766664936.db2.gz YSTCXYQYAUSQNZ-HNNXBMFYSA-N 1 1 331.420 0.365 20 30 ECEDMO COC[C@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046021559 766666361 /nfs/dbraw/zinc/66/63/61/766666361.db2.gz JTQQAULWXFENGM-WMLDXEAASA-N 1 1 345.447 0.753 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnn3CC)CC2)C1 ZINC001046022706 766669630 /nfs/dbraw/zinc/66/96/30/766669630.db2.gz WMSYRTCTBHZDPN-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046022561 766669693 /nfs/dbraw/zinc/66/96/93/766669693.db2.gz SPWGOLBUQFOBEK-KRWDZBQOSA-N 1 1 325.416 0.742 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1OC ZINC001212262187 766675712 /nfs/dbraw/zinc/67/57/12/766675712.db2.gz GBARLBOVNQBDPT-HZPDHXFCSA-N 1 1 326.437 0.657 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212262352 766685098 /nfs/dbraw/zinc/68/50/98/766685098.db2.gz MANKLQLACBDOKE-HZPDHXFCSA-N 1 1 334.420 0.084 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212262352 766685102 /nfs/dbraw/zinc/68/51/02/766685102.db2.gz MANKLQLACBDOKE-HZPDHXFCSA-N 1 1 334.420 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccn(CC)c2C)C1 ZINC000994750549 766686208 /nfs/dbraw/zinc/68/62/08/766686208.db2.gz ALYBLQMRYQLMFE-KRWDZBQOSA-N 1 1 342.443 0.855 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccn(CC)c2C)C1 ZINC000994750549 766686215 /nfs/dbraw/zinc/68/62/15/766686215.db2.gz ALYBLQMRYQLMFE-KRWDZBQOSA-N 1 1 342.443 0.855 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3nccc(C)n3)CC2)C1 ZINC001046027764 766687343 /nfs/dbraw/zinc/68/73/43/766687343.db2.gz OJCMLHYISCYJTQ-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)c2cccnc2)C1 ZINC000994749884 766692570 /nfs/dbraw/zinc/69/25/70/766692570.db2.gz FAYZWYRYUICBBS-YOEHRIQHSA-N 1 1 340.427 0.610 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)c2cccnc2)C1 ZINC000994749884 766692573 /nfs/dbraw/zinc/69/25/73/766692573.db2.gz FAYZWYRYUICBBS-YOEHRIQHSA-N 1 1 340.427 0.610 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@@H]12 ZINC000992488608 766693597 /nfs/dbraw/zinc/69/35/97/766693597.db2.gz APHSEXHHQLFPIP-SQWLQELKSA-N 1 1 341.477 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](OC)C2CCCC2)C1 ZINC000994751137 766696532 /nfs/dbraw/zinc/69/65/32/766696532.db2.gz NMWFDWSBQPELGL-IRXDYDNUSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](OC)C2CCCC2)C1 ZINC000994751137 766696536 /nfs/dbraw/zinc/69/65/36/766696536.db2.gz NMWFDWSBQPELGL-IRXDYDNUSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cncc4nc[nH]c43)CC2)C1 ZINC001046031391 766701489 /nfs/dbraw/zinc/70/14/89/766701489.db2.gz OGLXMFKEXIPAKY-CQSZACIVSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]cc4ncnc3-4)CC2)C1 ZINC001046031391 766701495 /nfs/dbraw/zinc/70/14/95/766701495.db2.gz OGLXMFKEXIPAKY-CQSZACIVSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]cc4ncnc3-4)CC2)C1 ZINC001046031391 766701500 /nfs/dbraw/zinc/70/15/00/766701500.db2.gz OGLXMFKEXIPAKY-CQSZACIVSA-N 1 1 340.431 0.976 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccn(C)n3)CC2)C1 ZINC001046033193 766708619 /nfs/dbraw/zinc/70/86/19/766708619.db2.gz AJELTYWTWFBJHW-GOSISDBHSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC000994754933 766708802 /nfs/dbraw/zinc/70/88/02/766708802.db2.gz OVYZJBURRVMFFH-YPMHNXCESA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC000994754933 766708805 /nfs/dbraw/zinc/70/88/05/766708805.db2.gz OVYZJBURRVMFFH-YPMHNXCESA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000994753344 766709312 /nfs/dbraw/zinc/70/93/12/766709312.db2.gz YYYWCHAKSOAKRI-FCEWJHQRSA-N 1 1 345.443 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000994753344 766709320 /nfs/dbraw/zinc/70/93/20/766709320.db2.gz YYYWCHAKSOAKRI-FCEWJHQRSA-N 1 1 345.443 0.370 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC001046034199 766712491 /nfs/dbraw/zinc/71/24/91/766712491.db2.gz RHZWJCIRVQOFPL-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@@H]12 ZINC000992497459 766712751 /nfs/dbraw/zinc/71/27/51/766712751.db2.gz JQPNFFSNRZWXAE-UMVBOHGHSA-N 1 1 327.450 0.367 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccnc4ccnn43)CC2)C1 ZINC001046035106 766718483 /nfs/dbraw/zinc/71/84/83/766718483.db2.gz DNGYMNLIAPBDGE-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC000994756586 766721864 /nfs/dbraw/zinc/72/18/64/766721864.db2.gz YAXFRSHOZSYNPC-ZDUSSCGKSA-N 1 1 334.807 0.706 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC000994756586 766721867 /nfs/dbraw/zinc/72/18/67/766721867.db2.gz YAXFRSHOZSYNPC-ZDUSSCGKSA-N 1 1 334.807 0.706 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnn4c3CCC4)CC2)C1 ZINC001046035600 766723209 /nfs/dbraw/zinc/72/32/09/766723209.db2.gz QHSDIBWRHIAGQV-HNNXBMFYSA-N 1 1 329.448 0.847 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001046036276 766725018 /nfs/dbraw/zinc/72/50/18/766725018.db2.gz FMKWSWQXOWWJJW-MSOLQXFVSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001046036379 766727253 /nfs/dbraw/zinc/72/72/53/766727253.db2.gz INBKKCVGWIOUIV-ROUUACIJSA-N 1 1 332.492 0.711 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc4n3CCC4)CC2)C1 ZINC001046036368 766727273 /nfs/dbraw/zinc/72/72/73/766727273.db2.gz IFGSNUAERFGYGY-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC001046038366 766738271 /nfs/dbraw/zinc/73/82/71/766738271.db2.gz CZZAXQMVRRXFMV-CQSZACIVSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC001046042255 766755231 /nfs/dbraw/zinc/75/52/31/766755231.db2.gz SMAVLMRWUXJIGF-ZWKOTPCHSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2ccncc2)C1 ZINC000994768619 766764457 /nfs/dbraw/zinc/76/44/57/766764457.db2.gz KQZXDPAFIGOJPX-KRWDZBQOSA-N 1 1 340.427 0.439 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2ccncc2)C1 ZINC000994768619 766764463 /nfs/dbraw/zinc/76/44/63/766764463.db2.gz KQZXDPAFIGOJPX-KRWDZBQOSA-N 1 1 340.427 0.439 20 30 ECEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001030951218 766767133 /nfs/dbraw/zinc/76/71/33/766767133.db2.gz RIWVWGJHBAQZBN-JKSUJKDBSA-N 1 1 335.448 0.923 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC001046046527 766775175 /nfs/dbraw/zinc/77/51/75/766775175.db2.gz GGWLWIRLRLNQHZ-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001046049157 766782767 /nfs/dbraw/zinc/78/27/67/766782767.db2.gz LDEOHOCEDBWINF-GJZGRUSLSA-N 1 1 336.480 0.552 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001046049911 766784681 /nfs/dbraw/zinc/78/46/81/766784681.db2.gz ZZVDWVMVLFUOHC-CVEARBPZSA-N 1 1 348.491 0.648 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CCC)n[nH]3)CC2)C1 ZINC001046050161 766786090 /nfs/dbraw/zinc/78/60/90/766786090.db2.gz GELXUZVCCCIFKN-MRXNPFEDSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CCC)[nH]n3)CC2)C1 ZINC001046050161 766786097 /nfs/dbraw/zinc/78/60/97/766786097.db2.gz GELXUZVCCCIFKN-MRXNPFEDSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CCC)[nH]n3)CC2)C1 ZINC001046050161 766786104 /nfs/dbraw/zinc/78/61/04/766786104.db2.gz GELXUZVCCCIFKN-MRXNPFEDSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046050053 766786251 /nfs/dbraw/zinc/78/62/51/766786251.db2.gz CZBQWXPISOSLQR-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4cccnn34)CC2)C1 ZINC001046069488 766870081 /nfs/dbraw/zinc/87/00/81/766870081.db2.gz GQNPODCEAPCCMA-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CCOC)nc1C)CO2 ZINC001053799897 766880214 /nfs/dbraw/zinc/88/02/14/766880214.db2.gz DQOVWEPTHRTDJO-HNNXBMFYSA-N 1 1 348.447 0.987 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3coc(COC)n3)CC2)C1 ZINC001046075047 766893639 /nfs/dbraw/zinc/89/36/39/766893639.db2.gz NRICCNNLLFWHLV-CQSZACIVSA-N 1 1 332.404 0.286 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Oc3ccccn3)CC2)C1 ZINC001046075946 766900342 /nfs/dbraw/zinc/90/03/42/766900342.db2.gz ITEAMJNCQTYFIC-SJORKVTESA-N 1 1 342.443 0.701 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC001046076599 766903698 /nfs/dbraw/zinc/90/36/98/766903698.db2.gz HJVBLZSDBYLMRP-OAHLLOKOSA-N 1 1 331.420 0.503 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CC)cn3)CC2)C1 ZINC001046077246 766906487 /nfs/dbraw/zinc/90/64/87/766906487.db2.gz SXPFBIACSPGDFU-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3conc3COC)CC2)C1 ZINC001046077651 766909383 /nfs/dbraw/zinc/90/93/83/766909383.db2.gz PLQOBJDMRKLAQK-HNNXBMFYSA-N 1 1 346.431 0.676 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC001046079394 766912810 /nfs/dbraw/zinc/91/28/10/766912810.db2.gz VJSMDGCEVZGKTN-MSOLQXFVSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)C1 ZINC001046079257 766913004 /nfs/dbraw/zinc/91/30/04/766913004.db2.gz SATRXXGSLDZACR-INIZCTEOSA-N 1 1 342.443 0.539 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncccc3OC)CC2)C1 ZINC001046080008 766914901 /nfs/dbraw/zinc/91/49/01/766914901.db2.gz JIUPQJUCLXERTM-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC001046080236 766915412 /nfs/dbraw/zinc/91/54/12/766915412.db2.gz CRZBRIOWLJHHGM-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=C(Cl)CN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081661 766920150 /nfs/dbraw/zinc/92/01/50/766920150.db2.gz HSRAJHRRJDHBDO-HZPDHXFCSA-N 1 1 340.899 0.909 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC001046082707 766921895 /nfs/dbraw/zinc/92/18/95/766921895.db2.gz ZULOOAKBTUXNQS-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)C1 ZINC001046082967 766922237 /nfs/dbraw/zinc/92/22/37/766922237.db2.gz ZCFMCHHGOLOUGF-KRWDZBQOSA-N 1 1 342.443 0.804 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C1 ZINC001046082950 766922311 /nfs/dbraw/zinc/92/23/11/766922311.db2.gz YVTQQDLTZBARFK-OAHLLOKOSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)C1 ZINC001046082950 766922315 /nfs/dbraw/zinc/92/23/15/766922315.db2.gz YVTQQDLTZBARFK-OAHLLOKOSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)C1 ZINC001046082950 766922316 /nfs/dbraw/zinc/92/23/16/766922316.db2.gz YVTQQDLTZBARFK-OAHLLOKOSA-N 1 1 340.431 0.976 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)C1 ZINC001046084565 766924588 /nfs/dbraw/zinc/92/45/88/766924588.db2.gz DGCNKBWIGDTOMC-QZTJIDSGSA-N 1 1 343.475 0.913 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncnc3CC)CC2)C1 ZINC001046084301 766924599 /nfs/dbraw/zinc/92/45/99/766924599.db2.gz PLNCKMQWQJSFOS-HNNXBMFYSA-N 1 1 327.432 0.504 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046085131 766926433 /nfs/dbraw/zinc/92/64/33/766926433.db2.gz MBYBCLKRYRFPEO-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCn3cc(Cl)cn3)CC2)C1 ZINC001046086172 766928053 /nfs/dbraw/zinc/92/80/53/766928053.db2.gz MOUALIXMNKYPHE-INIZCTEOSA-N 1 1 349.866 0.778 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031733084 766930396 /nfs/dbraw/zinc/93/03/96/766930396.db2.gz LTASJONFBCDMSK-AWEZNQCLSA-N 1 1 330.388 0.141 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncccc3OCC)CC2)C1 ZINC001046090305 766932362 /nfs/dbraw/zinc/93/23/62/766932362.db2.gz SGTFAHPTFFHNRN-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)CO2 ZINC001053820700 766935084 /nfs/dbraw/zinc/93/50/84/766935084.db2.gz JSQITBLMQIMFNT-UONOGXRCSA-N 1 1 349.431 0.450 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CCC1 ZINC001046119499 766947521 /nfs/dbraw/zinc/94/75/21/766947521.db2.gz AVCJGZQLIFDYQK-GJZGRUSLSA-N 1 1 349.475 0.620 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(C/C=C/Cl)C2)C1 ZINC001053832411 766969213 /nfs/dbraw/zinc/96/92/13/766969213.db2.gz KAZCHTZVUSGHLD-PGXISHIXSA-N 1 1 337.851 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(C/C=C/Cl)C2)C1 ZINC001053832411 766969203 /nfs/dbraw/zinc/96/92/03/766969203.db2.gz KAZCHTZVUSGHLD-PGXISHIXSA-N 1 1 337.851 0.796 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2c3ccccc3NC2=O)C1 ZINC001078266755 782592045 /nfs/dbraw/zinc/59/20/45/782592045.db2.gz BOTLJMSRRKLECQ-FVQBIDKESA-N 1 1 329.400 0.850 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)c1 ZINC001083765029 766998191 /nfs/dbraw/zinc/99/81/91/766998191.db2.gz KBUJUBHVEXRBBE-KSZLIROESA-N 1 1 343.427 0.797 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001031742478 766998761 /nfs/dbraw/zinc/99/87/61/766998761.db2.gz GONPUQWIRKOEIN-LSDHHAIUSA-N 1 1 341.402 0.556 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccnn3C)C2)C1=O ZINC001046190009 767039917 /nfs/dbraw/zinc/03/99/17/767039917.db2.gz PXJWJGYUKIGLAA-YOEHRIQHSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccnn3C)C2)C1=O ZINC001046190009 767039925 /nfs/dbraw/zinc/03/99/25/767039925.db2.gz PXJWJGYUKIGLAA-YOEHRIQHSA-N 1 1 331.420 0.401 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046196450 767046926 /nfs/dbraw/zinc/04/69/26/767046926.db2.gz CFTWLNGDEJQSAQ-VQIMIIECSA-N 1 1 325.412 0.897 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046196450 767046932 /nfs/dbraw/zinc/04/69/32/767046932.db2.gz CFTWLNGDEJQSAQ-VQIMIIECSA-N 1 1 325.412 0.897 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)CO2 ZINC001053859004 767048627 /nfs/dbraw/zinc/04/86/27/767048627.db2.gz XKMBTHUJGALSQS-CQSZACIVSA-N 1 1 346.431 0.663 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ocnc3C)C2)C1=O ZINC001046215370 767075927 /nfs/dbraw/zinc/07/59/27/767075927.db2.gz CHQYMLJRSCMIDJ-SUMWQHHRSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ocnc3C)C2)C1=O ZINC001046215370 767075936 /nfs/dbraw/zinc/07/59/36/767075936.db2.gz CHQYMLJRSCMIDJ-SUMWQHHRSA-N 1 1 332.404 0.964 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046220473 767086686 /nfs/dbraw/zinc/08/66/86/767086686.db2.gz KHXNQJRVVAGQPE-APPDUMDISA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046220473 767086693 /nfs/dbraw/zinc/08/66/93/767086693.db2.gz KHXNQJRVVAGQPE-APPDUMDISA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001046248347 767107575 /nfs/dbraw/zinc/10/75/75/767107575.db2.gz OFHXOPKDKVVUJI-RDJZCZTQSA-N 1 1 342.403 0.338 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nc1 ZINC000938819185 767118932 /nfs/dbraw/zinc/11/89/32/767118932.db2.gz BMKKYTWYDHOHFW-ZBFHGGJFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc1 ZINC000938827238 767125630 /nfs/dbraw/zinc/12/56/30/767125630.db2.gz QTRRSEKUOOKIHA-HOCLYGCPSA-N 1 1 340.427 0.735 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001042017120 782605387 /nfs/dbraw/zinc/60/53/87/782605387.db2.gz AZJXIBQBZYDNLO-DOMZBBRYSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001089734066 767135390 /nfs/dbraw/zinc/13/53/90/767135390.db2.gz GYVGSDQBCFDWRM-LBPRGKRZSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001046312159 767141315 /nfs/dbraw/zinc/14/13/15/767141315.db2.gz SAARNXBFFAINQG-DYVFJYSZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001046312159 767141318 /nfs/dbraw/zinc/14/13/18/767141318.db2.gz SAARNXBFFAINQG-DYVFJYSZSA-N 1 1 331.420 0.699 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001046329401 767151952 /nfs/dbraw/zinc/15/19/52/767151952.db2.gz OKFUFODUUQELMU-GUTXKFCHSA-N 1 1 344.419 0.294 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001046329401 767151953 /nfs/dbraw/zinc/15/19/53/767151953.db2.gz OKFUFODUUQELMU-GUTXKFCHSA-N 1 1 344.419 0.294 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001212316121 767206928 /nfs/dbraw/zinc/20/69/28/767206928.db2.gz IMOZTNLLUMDHPH-BPLDGKMQSA-N 1 1 335.404 0.789 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)o1 ZINC001089797043 767221734 /nfs/dbraw/zinc/22/17/34/767221734.db2.gz INVVKNNHOQHGAK-XGUBFFRZSA-N 1 1 329.400 0.784 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)o1 ZINC001089797044 767221771 /nfs/dbraw/zinc/22/17/71/767221771.db2.gz INVVKNNHOQHGAK-XQLPTFJDSA-N 1 1 329.400 0.784 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001089806401 767234056 /nfs/dbraw/zinc/23/40/56/767234056.db2.gz POVYDNWPSDVSPU-VGWMRTNUSA-N 1 1 327.432 0.848 20 30 ECEDMO C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001046505352 767267626 /nfs/dbraw/zinc/26/76/26/767267626.db2.gz GTMQEWMJYAMNMJ-SOLBZPMBSA-N 1 1 335.448 0.080 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046538127 767288915 /nfs/dbraw/zinc/28/89/15/767288915.db2.gz GEQQVRFAYZZKSE-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046538127 767288916 /nfs/dbraw/zinc/28/89/16/767288916.db2.gz GEQQVRFAYZZKSE-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046540557 767290814 /nfs/dbraw/zinc/29/08/14/767290814.db2.gz XMDIAUAXQJXFAJ-LPHOPBHVSA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046540557 767290816 /nfs/dbraw/zinc/29/08/16/767290816.db2.gz XMDIAUAXQJXFAJ-LPHOPBHVSA-N 1 1 325.412 0.755 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc(C2CC2)nn1 ZINC001089818384 767294184 /nfs/dbraw/zinc/29/41/84/767294184.db2.gz ADQQGLHFKUMHAM-LHHMISFZSA-N 1 1 339.443 0.958 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCc3nn[nH]c31)CO2 ZINC001053908187 767327417 /nfs/dbraw/zinc/32/74/17/767327417.db2.gz MEXPUBAMDPJEDJ-CHWSQXEVSA-N 1 1 331.420 0.760 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3c1nnn3C)CO2 ZINC001053907813 767327523 /nfs/dbraw/zinc/32/75/23/767327523.db2.gz DULLJDLDGCPJRD-LBPRGKRZSA-N 1 1 342.403 0.513 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046588414 767339462 /nfs/dbraw/zinc/33/94/62/767339462.db2.gz QJOBCSNPOVCPJG-PBHICJAKSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046588414 767339465 /nfs/dbraw/zinc/33/94/65/767339465.db2.gz QJOBCSNPOVCPJG-PBHICJAKSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046589473 767341167 /nfs/dbraw/zinc/34/11/67/767341167.db2.gz VTYFOHCTBMYTQJ-CRAIPNDOSA-N 1 1 326.400 0.300 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046589473 767341172 /nfs/dbraw/zinc/34/11/72/767341172.db2.gz VTYFOHCTBMYTQJ-CRAIPNDOSA-N 1 1 326.400 0.300 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001106147118 767368879 /nfs/dbraw/zinc/36/88/79/767368879.db2.gz KNDHCGJJBVMLGF-HOCLYGCPSA-N 1 1 331.420 0.139 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(=O)cc1OC)CO2 ZINC001053929259 767389065 /nfs/dbraw/zinc/38/90/65/767389065.db2.gz VNZUCQGFGIHLLK-GFCCVEGCSA-N 1 1 333.388 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C2CC2)ns1 ZINC001106154563 767406120 /nfs/dbraw/zinc/40/61/20/767406120.db2.gz LJYOZNQWVPQCAC-STQMWFEESA-N 1 1 349.460 0.402 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C2CC2)ns1 ZINC001106154563 767406123 /nfs/dbraw/zinc/40/61/23/767406123.db2.gz LJYOZNQWVPQCAC-STQMWFEESA-N 1 1 349.460 0.402 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106157871 767421802 /nfs/dbraw/zinc/42/18/02/767421802.db2.gz LADOFRQUFZYBRJ-GJZGRUSLSA-N 1 1 331.420 0.717 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn(CCOC)n1 ZINC001089837034 767432415 /nfs/dbraw/zinc/43/24/15/767432415.db2.gz XKYCKYNHYKENKQ-CUSZFKRNSA-N 1 1 342.443 0.945 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)CO2 ZINC001053949926 767433319 /nfs/dbraw/zinc/43/33/19/767433319.db2.gz RKBGNVRQKZEEBI-CVEARBPZSA-N 1 1 347.459 0.923 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2ncn(C)c2=O)C1 ZINC001089838655 767435077 /nfs/dbraw/zinc/43/50/77/767435077.db2.gz LVDWYBWYJZSCIF-VGWMRTNUSA-N 1 1 345.447 0.327 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001078292302 782626188 /nfs/dbraw/zinc/62/61/88/782626188.db2.gz DGQUVKPPHCAMRG-UKRRQHHQSA-N 1 1 330.388 0.630 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001046695590 767498773 /nfs/dbraw/zinc/49/87/73/767498773.db2.gz INXZCUNYICTKAJ-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001046695365 767498976 /nfs/dbraw/zinc/49/89/76/767498976.db2.gz FECNJKBQHKMORD-UHFFFAOYSA-N 1 1 335.448 0.067 20 30 ECEDMO C=CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001060464546 767508564 /nfs/dbraw/zinc/50/85/64/767508564.db2.gz ZVAYWPFXSRPOKD-UONOGXRCSA-N 1 1 334.420 0.898 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)CO2 ZINC001054014967 767603178 /nfs/dbraw/zinc/60/31/78/767603178.db2.gz WKQDCQXRKSQZOH-ZIAGYGMSSA-N 1 1 343.855 0.419 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)CO2 ZINC001054014967 767603182 /nfs/dbraw/zinc/60/31/82/767603182.db2.gz WKQDCQXRKSQZOH-ZIAGYGMSSA-N 1 1 343.855 0.419 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN1C(N)=O)CO2 ZINC001054023985 767622126 /nfs/dbraw/zinc/62/21/26/767622126.db2.gz FNJMJHBTRTYBFE-KBPBESRZSA-N 1 1 336.436 0.455 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](CCN3C(=O)CCC3=O)C2)C1 ZINC001054099495 767686785 /nfs/dbraw/zinc/68/67/85/767686785.db2.gz JJUIDVPEKSQAQC-KSSFIOAISA-N 1 1 346.431 0.610 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001054102535 767691275 /nfs/dbraw/zinc/69/12/75/767691275.db2.gz OFSGXMFZTGPKBP-YJBOKZPZSA-N 1 1 348.447 0.319 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001054130460 767724895 /nfs/dbraw/zinc/72/48/95/767724895.db2.gz QFJLKMPNPHJFDY-IBGZPJMESA-N 1 1 344.459 0.740 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC[C@]2(CCN(CC#N)C2)C1 ZINC001054145816 767740687 /nfs/dbraw/zinc/74/06/87/767740687.db2.gz XWDPFKDSBVLIIA-SJLPKXTDSA-N 1 1 344.463 0.651 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001054156650 767752630 /nfs/dbraw/zinc/75/26/30/767752630.db2.gz VPOQAJJTHMWMJH-QGZVFWFLSA-N 1 1 333.436 0.472 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001054160282 767757339 /nfs/dbraw/zinc/75/73/39/767757339.db2.gz AYNOAHHUEAWZTG-GOSISDBHSA-N 1 1 346.431 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(=O)c(OC)c[nH]1)C2 ZINC001054164539 767762422 /nfs/dbraw/zinc/76/24/22/767762422.db2.gz LUMKZDKUQGIKTJ-SFHVURJKSA-N 1 1 329.400 0.945 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001054175228 767774161 /nfs/dbraw/zinc/77/41/61/767774161.db2.gz KBIADOKTMLDUSI-GOSISDBHSA-N 1 1 334.464 0.309 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccn3c(=O)[nH]nc13)C2 ZINC001054227092 767834168 /nfs/dbraw/zinc/83/41/68/767834168.db2.gz IBBXTECDAAVYEA-SFHVURJKSA-N 1 1 339.399 0.996 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1nc(C)ccc1=O)C2 ZINC001054231180 767841031 /nfs/dbraw/zinc/84/10/31/767841031.db2.gz MUNZHIOJLBYPDW-LJQANCHMSA-N 1 1 342.443 0.890 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001054234404 767843536 /nfs/dbraw/zinc/84/35/36/767843536.db2.gz CTKPUFJKXDMNSL-SJLPKXTDSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001054237075 767846827 /nfs/dbraw/zinc/84/68/27/767846827.db2.gz TWWFEZAHVFGXDD-KRWDZBQOSA-N 1 1 334.420 0.429 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)CCC1=O)C2 ZINC001054238427 767848875 /nfs/dbraw/zinc/84/88/75/767848875.db2.gz UECCUNRBPIJEJA-SFHVURJKSA-N 1 1 331.416 0.473 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)C1CC1 ZINC001042045419 782664108 /nfs/dbraw/zinc/66/41/08/782664108.db2.gz XYGIXACOOQLVCW-RDJZCZTQSA-N 1 1 329.444 0.943 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993207537 768482519 /nfs/dbraw/zinc/48/25/19/768482519.db2.gz MXZVGONGTQKPMW-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993207537 768482522 /nfs/dbraw/zinc/48/25/22/768482522.db2.gz MXZVGONGTQKPMW-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001054976848 768492204 /nfs/dbraw/zinc/49/22/04/768492204.db2.gz QCKMSJFFBSFDEQ-OLZOCXBDSA-N 1 1 333.436 0.957 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCNc2ccnc(C#N)n2)CC[N@H+]1C ZINC001106611486 768501727 /nfs/dbraw/zinc/50/17/27/768501727.db2.gz MVXDPSAOSWDCFX-HZSPNIEDSA-N 1 1 330.436 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1cncc(C#N)n1 ZINC001106628086 768526518 /nfs/dbraw/zinc/52/65/18/768526518.db2.gz ROOGIRVYDIPMEF-ZFWWWQNUSA-N 1 1 326.404 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1cncc(C#N)n1 ZINC001106628086 768526527 /nfs/dbraw/zinc/52/65/27/768526527.db2.gz ROOGIRVYDIPMEF-ZFWWWQNUSA-N 1 1 326.404 0.753 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1ncnc2nc[nH]c21 ZINC001106627321 768526697 /nfs/dbraw/zinc/52/66/97/768526697.db2.gz AUVZGEWGZBBMFZ-STQMWFEESA-N 1 1 341.419 0.709 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1ncnc2nc[nH]c21 ZINC001106627321 768526703 /nfs/dbraw/zinc/52/67/03/768526703.db2.gz AUVZGEWGZBBMFZ-STQMWFEESA-N 1 1 341.419 0.709 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N(C)CCOCCNc1nccnc1C#N ZINC001127369578 768566944 /nfs/dbraw/zinc/56/69/44/768566944.db2.gz WTZFKPIZKMYIDR-UHFFFAOYSA-N 1 1 334.424 0.577 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCSC)C[C@H]2C1 ZINC001055154147 768614203 /nfs/dbraw/zinc/61/42/03/768614203.db2.gz WHEADAVUSMVCQR-XHSDSOJGSA-N 1 1 349.500 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCSC)C[C@H]2C1 ZINC001055154147 768614209 /nfs/dbraw/zinc/61/42/09/768614209.db2.gz WHEADAVUSMVCQR-XHSDSOJGSA-N 1 1 349.500 0.754 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)C1 ZINC001055197382 768658458 /nfs/dbraw/zinc/65/84/58/768658458.db2.gz YALKPSDZXREALL-UKMLZYKCSA-N 1 1 340.431 0.916 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001055238904 768695066 /nfs/dbraw/zinc/69/50/66/768695066.db2.gz ZEDXLFBYFITYED-IXDOHACOSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001055238904 768695070 /nfs/dbraw/zinc/69/50/70/768695070.db2.gz ZEDXLFBYFITYED-IXDOHACOSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001055250164 768708683 /nfs/dbraw/zinc/70/86/83/768708683.db2.gz RVECPKPABSKDQF-OAGGEKHMSA-N 1 1 335.448 0.448 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268916 768725242 /nfs/dbraw/zinc/72/52/42/768725242.db2.gz WNQHCQLISXNJGB-XHSDSOJGSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268916 768725245 /nfs/dbraw/zinc/72/52/45/768725245.db2.gz WNQHCQLISXNJGB-XHSDSOJGSA-N 1 1 335.448 0.590 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268581 768725326 /nfs/dbraw/zinc/72/53/26/768725326.db2.gz LWWXOIOFWOJYSL-WCXIOVBPSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268581 768725328 /nfs/dbraw/zinc/72/53/28/768725328.db2.gz LWWXOIOFWOJYSL-WCXIOVBPSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001055313109 768767766 /nfs/dbraw/zinc/76/77/66/768767766.db2.gz BTWHQEALKNMNLP-YIOZNXECSA-N 1 1 349.475 0.572 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H]1C ZINC000993326519 768768747 /nfs/dbraw/zinc/76/87/47/768768747.db2.gz AVCRXZACHXWXSW-KGLIPLIRSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001055340173 768797719 /nfs/dbraw/zinc/79/77/19/768797719.db2.gz OGJIUWUCDIRRNN-VVLHAWIVSA-N 1 1 347.459 0.283 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001055340170 768797803 /nfs/dbraw/zinc/79/78/03/768797803.db2.gz OGJIUWUCDIRRNN-LUKYLMHMSA-N 1 1 347.459 0.283 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)C1 ZINC001055341907 768799941 /nfs/dbraw/zinc/79/99/41/768799941.db2.gz PUQHZGJGYJCXQX-NGFQHRJXSA-N 1 1 326.404 0.526 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)C1 ZINC001055362306 768813990 /nfs/dbraw/zinc/81/39/90/768813990.db2.gz SFORQDDPEXSDCA-MIGQKNRLSA-N 1 1 340.431 0.916 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001018168995 768843243 /nfs/dbraw/zinc/84/32/43/768843243.db2.gz HBVQAEAOXQEENK-BETUJISGSA-N 1 1 342.403 0.673 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2ccccn2)CC1 ZINC001055496071 768943621 /nfs/dbraw/zinc/94/36/21/768943621.db2.gz BJJGVWXTHHWLON-UHFFFAOYSA-N 1 1 340.427 0.805 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(c1cnc(C#N)cn1)C2 ZINC001055509965 768974754 /nfs/dbraw/zinc/97/47/54/768974754.db2.gz PPFVFNFDIFHQFD-YEWWUXTCSA-N 1 1 340.431 0.918 20 30 ECEDMO Cc1ocnc1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055536395 769046007 /nfs/dbraw/zinc/04/60/07/769046007.db2.gz VWMWZKQBAMZQIC-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO Cc1ncoc1C(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055574186 769157773 /nfs/dbraw/zinc/15/77/73/769157773.db2.gz VPEZUKOCGNWZKK-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2cnco2)CC1 ZINC001055575126 769161010 /nfs/dbraw/zinc/16/10/10/769161010.db2.gz NVHWTTWPKXVJPE-UHFFFAOYSA-N 1 1 330.388 0.398 20 30 ECEDMO C=CCn1cc(C(=O)NCC[NH+]2CCC(NC(=O)C(C)C)CC2)nn1 ZINC001055577651 769168254 /nfs/dbraw/zinc/16/82/54/769168254.db2.gz QODWDOVJBUFKEE-UHFFFAOYSA-N 1 1 348.451 0.431 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)CC1 ZINC001018356993 769178769 /nfs/dbraw/zinc/17/87/69/769178769.db2.gz ZKDACSQYSOYORU-IAGOWNOFSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCCN2CCC(NC(=O)CC)CC2)CC1 ZINC001055589734 769194853 /nfs/dbraw/zinc/19/48/53/769194853.db2.gz OCEVKKPYSDVKJJ-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001055592528 769202879 /nfs/dbraw/zinc/20/28/79/769202879.db2.gz SJTQEWWGPRXXPV-CQSZACIVSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001055592528 769202886 /nfs/dbraw/zinc/20/28/86/769202886.db2.gz SJTQEWWGPRXXPV-CQSZACIVSA-N 1 1 349.479 0.327 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000993515858 769212729 /nfs/dbraw/zinc/21/27/29/769212729.db2.gz CKROQCXEECJWIL-JQWIXIFHSA-N 1 1 327.406 0.696 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000993518898 769216238 /nfs/dbraw/zinc/21/62/38/769216238.db2.gz JIHLMMRVZKXHJX-DGCLKSJQSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000993518898 769216243 /nfs/dbraw/zinc/21/62/43/769216243.db2.gz JIHLMMRVZKXHJX-DGCLKSJQSA-N 1 1 339.417 0.533 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)C[C@H]21 ZINC001042082454 782728822 /nfs/dbraw/zinc/72/88/22/782728822.db2.gz GNENMRDUCPRSCW-LSDHHAIUSA-N 1 1 346.431 0.046 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)C[C@@H]21 ZINC001042082451 782729085 /nfs/dbraw/zinc/72/90/85/782729085.db2.gz GNENMRDUCPRSCW-CABCVRRESA-N 1 1 346.431 0.046 20 30 ECEDMO C=CCN1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001018391082 769274625 /nfs/dbraw/zinc/27/46/25/769274625.db2.gz BUFCRDCKYDFRLQ-IRXDYDNUSA-N 1 1 348.491 0.507 20 30 ECEDMO C=CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001018391081 769275542 /nfs/dbraw/zinc/27/55/42/769275542.db2.gz BUFCRDCKYDFRLQ-IAGOWNOFSA-N 1 1 348.491 0.507 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622739 769282048 /nfs/dbraw/zinc/28/20/48/769282048.db2.gz XJRCJBRBLXPKPQ-UHFFFAOYSA-N 1 1 333.392 0.039 20 30 ECEDMO Cc1ccnc(C(=O)NC2CC[NH+](CCNC(=O)[C@H](C)C#N)CC2)n1 ZINC001055630231 769299757 /nfs/dbraw/zinc/29/97/57/769299757.db2.gz XFQZKAOSTIBUSI-GFCCVEGCSA-N 1 1 344.419 0.255 20 30 ECEDMO CC(C)[N@H+](C)CC(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055630917 769302576 /nfs/dbraw/zinc/30/25/76/769302576.db2.gz AHKHQUMPEATLFY-AWEZNQCLSA-N 1 1 337.468 0.183 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055630917 769302586 /nfs/dbraw/zinc/30/25/86/769302586.db2.gz AHKHQUMPEATLFY-AWEZNQCLSA-N 1 1 337.468 0.183 20 30 ECEDMO CC[C@@H](C(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1)[NH+](C)C ZINC001055632001 769305265 /nfs/dbraw/zinc/30/52/65/769305265.db2.gz OAOJVERPUFGEGY-HIFRSBDPSA-N 1 1 337.468 0.183 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC000993654899 769433156 /nfs/dbraw/zinc/43/31/56/769433156.db2.gz CDPUFDXOWYHYQA-YPMHNXCESA-N 1 1 342.407 0.300 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC000993654899 769433164 /nfs/dbraw/zinc/43/31/64/769433164.db2.gz CDPUFDXOWYHYQA-YPMHNXCESA-N 1 1 342.407 0.300 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC001042098459 782760594 /nfs/dbraw/zinc/76/05/94/782760594.db2.gz QVEPXZBOWRJICS-JKSUJKDBSA-N 1 1 335.448 0.734 20 30 ECEDMO CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078358061 782767411 /nfs/dbraw/zinc/76/74/11/782767411.db2.gz ILXQZVQXDNYORJ-UONOGXRCSA-N 1 1 334.424 0.555 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC001078358385 782768837 /nfs/dbraw/zinc/76/88/37/782768837.db2.gz OSRIYMZLIKPFCO-NEPJUHHUSA-N 1 1 339.827 0.940 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001042104148 782777103 /nfs/dbraw/zinc/77/71/03/782777103.db2.gz LOPZQLBCTSJXHR-INIZCTEOSA-N 1 1 341.411 0.065 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnn(C)c3)[C@@H]2C)nn1 ZINC000993941161 769915632 /nfs/dbraw/zinc/91/56/32/769915632.db2.gz ACCJSFCJOSTIAM-UKRRQHHQSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)[C@@H]2C)nn1 ZINC000993941161 769915637 /nfs/dbraw/zinc/91/56/37/769915637.db2.gz ACCJSFCJOSTIAM-UKRRQHHQSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001042113303 782794308 /nfs/dbraw/zinc/79/43/08/782794308.db2.gz XWJMRXIAGOTXAJ-CABCVRRESA-N 1 1 328.416 0.946 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H]1C ZINC000994003403 769992797 /nfs/dbraw/zinc/99/27/97/769992797.db2.gz GOIIDLGFQUJAFX-UKRRQHHQSA-N 1 1 341.415 0.937 20 30 ECEDMO N#Cc1cncc(N2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)n1 ZINC001055869483 770040710 /nfs/dbraw/zinc/04/07/10/770040710.db2.gz AZCGEBBYAPDJED-KRWDZBQOSA-N 1 1 326.404 0.483 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccon3)C2)[nH]1 ZINC001078376706 782804773 /nfs/dbraw/zinc/80/47/73/782804773.db2.gz DOJWHAUHGXUQQS-AWEZNQCLSA-N 1 1 329.360 0.895 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 ZINC001042123599 782809160 /nfs/dbraw/zinc/80/91/60/782809160.db2.gz TWYAZKQMXXAIIL-LSDHHAIUSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC3(CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C3)C2)C1 ZINC001018899836 770236596 /nfs/dbraw/zinc/23/65/96/770236596.db2.gz WMWFMSHWCZSQRD-HNNXBMFYSA-N 1 1 347.459 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC3(CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C3)C2)C1 ZINC001018899836 770236599 /nfs/dbraw/zinc/23/65/99/770236599.db2.gz WMWFMSHWCZSQRD-HNNXBMFYSA-N 1 1 347.459 0.734 20 30 ECEDMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCCO2)nn1 ZINC001078383661 782818744 /nfs/dbraw/zinc/81/87/44/782818744.db2.gz BPTHCGMYEJBGGG-HNNXBMFYSA-N 1 1 343.391 0.036 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C ZINC000994169745 770242694 /nfs/dbraw/zinc/24/26/94/770242694.db2.gz BMMGSAOFRXCYCN-ZIAGYGMSSA-N 1 1 333.436 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@@H]1C ZINC000994186761 770275020 /nfs/dbraw/zinc/27/50/20/770275020.db2.gz FZTMUNOBARESKL-DZGCQCFKSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@@H]1C ZINC000994186761 770275024 /nfs/dbraw/zinc/27/50/24/770275024.db2.gz FZTMUNOBARESKL-DZGCQCFKSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C ZINC000994186110 770275047 /nfs/dbraw/zinc/27/50/47/770275047.db2.gz ZYJQFCZVOPNKKC-CABCVRRESA-N 1 1 345.447 0.374 20 30 ECEDMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1 ZINC001078384363 782822379 /nfs/dbraw/zinc/82/23/79/782822379.db2.gz UXYJDPLKYQSWRG-AWEZNQCLSA-N 1 1 344.375 0.599 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1C ZINC000994192956 770282469 /nfs/dbraw/zinc/28/24/69/770282469.db2.gz IEUVXWORFBOIFZ-QXSJWSMHSA-N 1 1 335.448 0.330 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1C ZINC000994192956 770282478 /nfs/dbraw/zinc/28/24/78/770282478.db2.gz IEUVXWORFBOIFZ-QXSJWSMHSA-N 1 1 335.448 0.330 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC000994207028 770304627 /nfs/dbraw/zinc/30/46/27/770304627.db2.gz FIAWNNZNFLTLPY-VXGBXAGGSA-N 1 1 330.392 0.576 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000994208809 770308068 /nfs/dbraw/zinc/30/80/68/770308068.db2.gz PUAQUGLUKQUSHW-MUIFIZLQSA-N 1 1 347.459 0.330 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000994208809 770308078 /nfs/dbraw/zinc/30/80/78/770308078.db2.gz PUAQUGLUKQUSHW-MUIFIZLQSA-N 1 1 347.459 0.330 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001106853906 770336093 /nfs/dbraw/zinc/33/60/93/770336093.db2.gz GOGCYCVATCPTSM-CQSZACIVSA-N 1 1 330.436 0.903 20 30 ECEDMO CC1(C)C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001089358688 770399829 /nfs/dbraw/zinc/39/98/29/770399829.db2.gz XYVLYRRJRXWXKW-WFASDCNBSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001055979265 770428370 /nfs/dbraw/zinc/42/83/70/770428370.db2.gz HGMJVAGMEUSPBR-HNNXBMFYSA-N 1 1 328.420 0.790 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)[C@@H]2C)nc1 ZINC000994252480 770440710 /nfs/dbraw/zinc/44/07/10/770440710.db2.gz LXSGVGPGHVMVAP-GDBMZVCRSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)nc1 ZINC000994252480 770440712 /nfs/dbraw/zinc/44/07/12/770440712.db2.gz LXSGVGPGHVMVAP-GDBMZVCRSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001055988226 770465441 /nfs/dbraw/zinc/46/54/41/770465441.db2.gz ZGEGTNQORUFOMM-GOSISDBHSA-N 1 1 337.464 0.907 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127411623 770491839 /nfs/dbraw/zinc/49/18/39/770491839.db2.gz NBUNTKBQZNVAHB-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)c2c[nH]c(C#N)c2)C3)C1 ZINC001019038706 770629377 /nfs/dbraw/zinc/62/93/77/770629377.db2.gz YUCWJEYTORFBAA-CYBMUJFWSA-N 1 1 341.415 0.513 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@@H]21 ZINC001042151934 782857612 /nfs/dbraw/zinc/85/76/12/782857612.db2.gz BNDOEIJREFWDPQ-HIFRSBDPSA-N 1 1 329.400 0.943 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001056097867 770821205 /nfs/dbraw/zinc/82/12/05/770821205.db2.gz WUFUVRAQZDIGMR-SUMWQHHRSA-N 1 1 336.436 0.100 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C ZINC000994487014 770892602 /nfs/dbraw/zinc/89/26/02/770892602.db2.gz OHILNWDCVPFPJP-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2CN(Cc3ccc(OCC#N)cc3)C2)C1 ZINC001031384044 770994423 /nfs/dbraw/zinc/99/44/23/770994423.db2.gz UTVPKSMEMKDZBU-HNNXBMFYSA-N 1 1 328.416 0.841 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)CC(C)(C)C1 ZINC001089428283 771143260 /nfs/dbraw/zinc/14/32/60/771143260.db2.gz WKMDOWQQOXTPDJ-AWEZNQCLSA-N 1 1 333.436 0.212 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001077551251 771225314 /nfs/dbraw/zinc/22/53/14/771225314.db2.gz UXLMCVNPVDQMQQ-RRFJBIMHSA-N 1 1 337.464 0.761 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001056407658 771236786 /nfs/dbraw/zinc/23/67/86/771236786.db2.gz XAAUITVBFSHXRR-UTXMOHQDSA-N 1 1 325.416 0.846 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001056409703 771240434 /nfs/dbraw/zinc/24/04/34/771240434.db2.gz AWCPPLSTLVDXHH-TXPWEPMLSA-N 1 1 325.416 0.846 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CCC)C1 ZINC001019405655 771259894 /nfs/dbraw/zinc/25/98/94/771259894.db2.gz OCDVMUVFGNOLFP-ZNMIVQPWSA-N 1 1 333.436 0.970 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001042188302 782909747 /nfs/dbraw/zinc/90/97/47/782909747.db2.gz RSXJYCYXNFDCIL-HZPDHXFCSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)CC(C)(C)C1 ZINC001089476239 771283085 /nfs/dbraw/zinc/28/30/85/771283085.db2.gz LPXPHAMWTPATGT-SNVBAGLBSA-N 1 1 332.242 0.987 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)CC(C)(C)C1 ZINC001089476239 771283081 /nfs/dbraw/zinc/28/30/81/771283081.db2.gz LPXPHAMWTPATGT-SNVBAGLBSA-N 1 1 332.242 0.987 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001056487477 771326237 /nfs/dbraw/zinc/32/62/37/771326237.db2.gz AKILFRWZZMJBAY-ZACQAIPSSA-N 1 1 349.475 0.958 20 30 ECEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CS(=O)(=O)NC ZINC001099344943 771328897 /nfs/dbraw/zinc/32/88/97/771328897.db2.gz QTKDQELSRAUYIG-ZDUSSCGKSA-N 1 1 331.482 0.719 20 30 ECEDMO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031580968 771337450 /nfs/dbraw/zinc/33/74/50/771337450.db2.gz XTKOFELBJABCFM-KBPBESRZSA-N 1 1 333.413 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNC(=O)C2CC2)C1 ZINC001019506705 771377547 /nfs/dbraw/zinc/37/75/47/771377547.db2.gz HYWKYLYZKCAYJH-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNC(=O)C2CC2)C1 ZINC001019506705 771377551 /nfs/dbraw/zinc/37/75/51/771377551.db2.gz HYWKYLYZKCAYJH-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO CC(C)N1CC[C@H]([NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001031602612 771393936 /nfs/dbraw/zinc/39/39/36/771393936.db2.gz JNWQUDOJEYLJGE-HNNXBMFYSA-N 1 1 329.404 0.557 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2C[NH+]([C@H]3CCN(C4CCC4)C3=O)C2)c1 ZINC001031604556 771396933 /nfs/dbraw/zinc/39/69/33/771396933.db2.gz OGWHPDRORHLIEP-INIZCTEOSA-N 1 1 341.415 0.701 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nn1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001127517666 771441798 /nfs/dbraw/zinc/44/17/98/771441798.db2.gz MYEOSUYUMQDRLQ-OAHLLOKOSA-N 1 1 346.435 0.719 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001056645337 771462260 /nfs/dbraw/zinc/46/22/60/771462260.db2.gz QJODPQGHULQLOK-CYBMUJFWSA-N 1 1 325.376 0.875 20 30 ECEDMO N#Cc1cnccc1N[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056666959 771490359 /nfs/dbraw/zinc/49/03/59/771490359.db2.gz MGMWGGHOLLHKDC-OAHLLOKOSA-N 1 1 329.404 0.110 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561282 771494816 /nfs/dbraw/zinc/49/48/16/771494816.db2.gz OFWLBWFEYNYPNK-UONOGXRCSA-N 1 1 343.493 0.861 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)C2CCN(C(=O)[C@H](C)C#N)CC2)C1=O ZINC001089571948 771539091 /nfs/dbraw/zinc/53/90/91/771539091.db2.gz JVPMQUXMCZQPHS-ZBFHGGJFSA-N 1 1 348.447 0.218 20 30 ECEDMO N#Cc1nccc(N[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001056717408 771549206 /nfs/dbraw/zinc/54/92/06/771549206.db2.gz KFLIZQGIKJJQCY-CHWSQXEVSA-N 1 1 337.387 0.557 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001019590931 771556433 /nfs/dbraw/zinc/55/64/33/771556433.db2.gz SLKUBUZWFNGNIC-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc(COC)ncn2)C1 ZINC001056811093 771674108 /nfs/dbraw/zinc/67/41/08/771674108.db2.gz HQRLGLSBTAPCDT-ZBFHGGJFSA-N 1 1 343.431 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc(COC)ncn2)C1 ZINC001056811093 771674110 /nfs/dbraw/zinc/67/41/10/771674110.db2.gz HQRLGLSBTAPCDT-ZBFHGGJFSA-N 1 1 343.431 0.733 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001019673333 771701643 /nfs/dbraw/zinc/70/16/43/771701643.db2.gz NSSRHQWYSRHLDU-ZDUSSCGKSA-N 1 1 340.387 0.226 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2nccn2C)C1 ZINC001019673214 771701958 /nfs/dbraw/zinc/70/19/58/771701958.db2.gz HIURRTDMKFIWAM-AWEZNQCLSA-N 1 1 339.399 0.831 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)nc3)C2)C1 ZINC001056930326 771821500 /nfs/dbraw/zinc/82/15/00/771821500.db2.gz HLIQKDOTBNRKSG-IAGOWNOFSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)nc3)C2)C1 ZINC001056930326 771821504 /nfs/dbraw/zinc/82/15/04/771821504.db2.gz HLIQKDOTBNRKSG-IAGOWNOFSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056940203 771837076 /nfs/dbraw/zinc/83/70/76/771837076.db2.gz NLTXHYSLPCAXER-HNNXBMFYSA-N 1 1 344.419 0.108 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](N(C)c2nc(C)cc(C#N)n2)C1 ZINC001056988936 771915110 /nfs/dbraw/zinc/91/51/10/771915110.db2.gz BELBKWKTCMDPHG-HNNXBMFYSA-N 1 1 339.403 0.899 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)cn3)C2)O1 ZINC001057063170 772020562 /nfs/dbraw/zinc/02/05/62/772020562.db2.gz XBBAVNSWMNPQFH-FVQBIDKESA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)cn3)C2)O1 ZINC001057063170 772020570 /nfs/dbraw/zinc/02/05/70/772020570.db2.gz XBBAVNSWMNPQFH-FVQBIDKESA-N 1 1 343.431 0.709 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001042254454 782989432 /nfs/dbraw/zinc/98/94/32/782989432.db2.gz LAOIMZIOGMMZFP-HIFRSBDPSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001042254454 782989434 /nfs/dbraw/zinc/98/94/34/782989434.db2.gz LAOIMZIOGMMZFP-HIFRSBDPSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001042254229 782989449 /nfs/dbraw/zinc/98/94/49/782989449.db2.gz JFFFOXRAJUILON-HOCLYGCPSA-N 1 1 338.473 0.757 20 30 ECEDMO N#Cc1cnc(N2CCCN(C(=O)CC[NH+]3CCOCC3)CC2)cn1 ZINC001057156140 772184632 /nfs/dbraw/zinc/18/46/32/772184632.db2.gz OSWVUUVQMFIJHT-UHFFFAOYSA-N 1 1 344.419 0.109 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057202770 772266665 /nfs/dbraw/zinc/26/66/65/772266665.db2.gz YDYBXDWAHQKNJN-UHFFFAOYSA-N 1 1 325.376 0.592 20 30 ECEDMO C=CCC(CC=C)C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057212135 772286270 /nfs/dbraw/zinc/28/62/70/772286270.db2.gz JMKDZHCIBXMDOV-MRXNPFEDSA-N 1 1 337.464 0.786 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057212613 772287387 /nfs/dbraw/zinc/28/73/87/772287387.db2.gz RIHMETCOTANPQH-CYBMUJFWSA-N 1 1 345.871 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nn(C)cc2Cl)C1 ZINC001020250968 772351166 /nfs/dbraw/zinc/35/11/66/772351166.db2.gz YKKKGMKVCLSZJY-XEZPLFJOSA-N 1 1 349.866 0.908 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nn(C)cc2Cl)C1 ZINC001020250968 772351173 /nfs/dbraw/zinc/35/11/73/772351173.db2.gz YKKKGMKVCLSZJY-XEZPLFJOSA-N 1 1 349.866 0.908 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccc(C#N)nn3)CC2)C1 ZINC001057303221 772433029 /nfs/dbraw/zinc/43/30/29/772433029.db2.gz JJFLPWFQHCZXOI-AWEZNQCLSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccc(C#N)nn3)CC2)C1 ZINC001057303221 772433033 /nfs/dbraw/zinc/43/30/33/772433033.db2.gz JJFLPWFQHCZXOI-AWEZNQCLSA-N 1 1 330.392 0.082 20 30 ECEDMO N#Cc1cnccc1NC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001057345654 772493959 /nfs/dbraw/zinc/49/39/59/772493959.db2.gz LADCKIJALKEFPK-UHFFFAOYSA-N 1 1 343.431 0.500 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 ZINC001057370775 772534077 /nfs/dbraw/zinc/53/40/77/772534077.db2.gz SZEIKSDHXLRYSD-UHFFFAOYSA-N 1 1 349.435 0.167 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057445559 772622836 /nfs/dbraw/zinc/62/28/36/772622836.db2.gz ZLZNKKWDPCRLFH-IAGOWNOFSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001057447103 772624398 /nfs/dbraw/zinc/62/43/98/772624398.db2.gz PAONFJZENVEBRI-IYBDPMFKSA-N 1 1 337.464 0.600 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(CNc3ncccc3C#N)CC2)C1 ZINC001057483721 772672724 /nfs/dbraw/zinc/67/27/24/772672724.db2.gz JRESPRLGIQGNMF-INIZCTEOSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(CNc3ncccc3C#N)CC2)C1 ZINC001057483721 772672728 /nfs/dbraw/zinc/67/27/28/772672728.db2.gz JRESPRLGIQGNMF-INIZCTEOSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(CNc3cnc(C#N)cn3)CC2)C1 ZINC001057501662 772690536 /nfs/dbraw/zinc/69/05/36/772690536.db2.gz PELNWBIQVJWBDS-CQSZACIVSA-N 1 1 328.420 0.950 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057525448 772718157 /nfs/dbraw/zinc/71/81/57/772718157.db2.gz TZZMEYWFQOUZSH-SJORKVTESA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)=C1CCC1 ZINC001057531085 772726696 /nfs/dbraw/zinc/72/66/96/772726696.db2.gz DPUUGSYKMRSOBY-KRWDZBQOSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)=C1CCC1 ZINC001057531085 772726700 /nfs/dbraw/zinc/72/67/00/772726700.db2.gz DPUUGSYKMRSOBY-KRWDZBQOSA-N 1 1 347.459 0.522 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001057736702 772953811 /nfs/dbraw/zinc/95/38/11/772953811.db2.gz VSPFAIDLVVSVPR-KGLIPLIRSA-N 1 1 328.420 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057773809 772974944 /nfs/dbraw/zinc/97/49/44/772974944.db2.gz VRMWRGFLCZTOMB-GJZGRUSLSA-N 1 1 338.415 0.271 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057773809 772974947 /nfs/dbraw/zinc/97/49/47/772974947.db2.gz VRMWRGFLCZTOMB-GJZGRUSLSA-N 1 1 338.415 0.271 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001057806461 773005346 /nfs/dbraw/zinc/00/53/46/773005346.db2.gz DSNYUOPWKQBRPL-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(c2nccnc2C#N)CC1 ZINC001057811959 773014996 /nfs/dbraw/zinc/01/49/96/773014996.db2.gz MXMLTPFXDFEJCV-ZFWWWQNUSA-N 1 1 342.447 0.879 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCC1 ZINC001057821383 773030874 /nfs/dbraw/zinc/03/08/74/773030874.db2.gz CLBMMDBCYMBTKB-HOTGVXAUSA-N 1 1 349.475 0.315 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ccncc3C#N)CC2)C1 ZINC001057876058 773112599 /nfs/dbraw/zinc/11/25/99/773112599.db2.gz ZRVURVITNYOBKL-KRWDZBQOSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ccncc3C#N)CC2)C1 ZINC001057876058 773112601 /nfs/dbraw/zinc/11/26/01/773112601.db2.gz ZRVURVITNYOBKL-KRWDZBQOSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057875701 773112771 /nfs/dbraw/zinc/11/27/71/773112771.db2.gz GXPBZQNBBULOTA-OAHLLOKOSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057875701 773112773 /nfs/dbraw/zinc/11/27/73/773112773.db2.gz GXPBZQNBBULOTA-OAHLLOKOSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC(F)F ZINC001057961966 773292911 /nfs/dbraw/zinc/29/29/11/773292911.db2.gz BIURMMZKMMQINF-ZDUSSCGKSA-N 1 1 345.390 0.066 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC(F)F ZINC001057961966 773292916 /nfs/dbraw/zinc/29/29/16/773292916.db2.gz BIURMMZKMMQINF-ZDUSSCGKSA-N 1 1 345.390 0.066 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC12CCC2 ZINC001057962410 773295553 /nfs/dbraw/zinc/29/55/53/773295553.db2.gz VDJOAGDQJGKJTQ-HOTGVXAUSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC12CCC2 ZINC001057962410 773295559 /nfs/dbraw/zinc/29/55/59/773295559.db2.gz VDJOAGDQJGKJTQ-HOTGVXAUSA-N 1 1 347.459 0.211 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058056113 773445834 /nfs/dbraw/zinc/44/58/34/773445834.db2.gz FCPOKNYEFJNHOK-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001040613416 783101797 /nfs/dbraw/zinc/10/17/97/783101797.db2.gz LBMMGHHWNKENDG-QFBILLFUSA-N 1 1 349.475 0.601 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N(CCO)CCNC(=O)C#CC(C)C ZINC001058096609 773529456 /nfs/dbraw/zinc/52/94/56/773529456.db2.gz LKZMYTXKQKWKKC-UHFFFAOYSA-N 1 1 348.447 0.568 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058134890 773605465 /nfs/dbraw/zinc/60/54/65/773605465.db2.gz QSMXDQLOXAPGJZ-HIFRSBDPSA-N 1 1 347.394 0.508 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058134890 773605470 /nfs/dbraw/zinc/60/54/70/773605470.db2.gz QSMXDQLOXAPGJZ-HIFRSBDPSA-N 1 1 347.394 0.508 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058157905 773658765 /nfs/dbraw/zinc/65/87/65/773658765.db2.gz KFMJWYJHDAGKRZ-JKSUJKDBSA-N 1 1 339.480 0.868 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058167741 773684033 /nfs/dbraw/zinc/68/40/33/773684033.db2.gz KXSBEBFZIWWOMV-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058167741 773684038 /nfs/dbraw/zinc/68/40/38/773684038.db2.gz KXSBEBFZIWWOMV-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058167760 773684116 /nfs/dbraw/zinc/68/41/16/773684116.db2.gz LHSWVGFHQGTKPJ-KGLIPLIRSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058167760 773684120 /nfs/dbraw/zinc/68/41/20/773684120.db2.gz LHSWVGFHQGTKPJ-KGLIPLIRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058176845 773707731 /nfs/dbraw/zinc/70/77/31/773707731.db2.gz IPFWXVHXZIOIEE-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058176766 773707943 /nfs/dbraw/zinc/70/79/43/773707943.db2.gz GJJWPJALEGUIFP-UKRRQHHQSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC001058219150 773793250 /nfs/dbraw/zinc/79/32/50/773793250.db2.gz MDNPTBUQLLONAY-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)O1 ZINC001058264178 773875335 /nfs/dbraw/zinc/87/53/35/773875335.db2.gz PBXOXXWOKWZTNQ-VHDGCEQUSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)O1 ZINC001058264178 773875340 /nfs/dbraw/zinc/87/53/40/773875340.db2.gz PBXOXXWOKWZTNQ-VHDGCEQUSA-N 1 1 344.419 0.152 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058265796 773880069 /nfs/dbraw/zinc/88/00/69/773880069.db2.gz SEOARBODVZCVFN-UONOGXRCSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039809248 783134699 /nfs/dbraw/zinc/13/46/99/783134699.db2.gz SRUXXVACWWVIRI-VQIMIIECSA-N 1 1 349.475 0.786 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058302475 773936840 /nfs/dbraw/zinc/93/68/40/773936840.db2.gz UNZHPOCEASJVLC-CQSZACIVSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001058306045 773942586 /nfs/dbraw/zinc/94/25/86/773942586.db2.gz SCTDMJBFWYPIPF-LSDHHAIUSA-N 1 1 339.480 0.866 20 30 ECEDMO Cc1nc(N2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001058316818 773960254 /nfs/dbraw/zinc/96/02/54/773960254.db2.gz IQVNTQSCFSTMKS-CABCVRRESA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1nc(N2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001058316818 773960259 /nfs/dbraw/zinc/96/02/59/773960259.db2.gz IQVNTQSCFSTMKS-CABCVRRESA-N 1 1 329.404 0.287 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001040636282 783148185 /nfs/dbraw/zinc/14/81/85/783148185.db2.gz GQURAKFCBUWESP-GRDNDAEWSA-N 1 1 325.416 0.942 20 30 ECEDMO C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001039819773 783149401 /nfs/dbraw/zinc/14/94/01/783149401.db2.gz WGUQBQZSCKRTBL-GOSISDBHSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001039819483 783149567 /nfs/dbraw/zinc/14/95/67/783149567.db2.gz RKKJRJZMSFPWMF-KDOFPFPSSA-N 1 1 337.464 0.763 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)CC[N@H+](C)CCC ZINC001058442700 774189429 /nfs/dbraw/zinc/18/94/29/774189429.db2.gz NPZGXCWKNVPKFF-UHFFFAOYSA-N 1 1 339.480 0.849 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001058442878 774190175 /nfs/dbraw/zinc/19/01/75/774190175.db2.gz VFFVIXOEDYWLTO-CVEARBPZSA-N 1 1 337.464 0.315 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001058463578 774232983 /nfs/dbraw/zinc/23/29/83/774232983.db2.gz CFVUWSWXGBEIQX-HUUCEWRRSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058466514 774239466 /nfs/dbraw/zinc/23/94/66/774239466.db2.gz PJLQSSPRPSEHCD-CABCVRRESA-N 1 1 325.453 0.478 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001058468729 774244319 /nfs/dbraw/zinc/24/43/19/774244319.db2.gz PNBNIJJZSMGHHE-OAHLLOKOSA-N 1 1 336.436 0.731 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)C1 ZINC001058521275 774353104 /nfs/dbraw/zinc/35/31/04/774353104.db2.gz ITYVMGGLFCDARZ-KBPBESRZSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)C1 ZINC001058521275 774353111 /nfs/dbraw/zinc/35/31/11/774353111.db2.gz ITYVMGGLFCDARZ-KBPBESRZSA-N 1 1 344.419 0.152 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001058550622 774418171 /nfs/dbraw/zinc/41/81/71/774418171.db2.gz AJSSFASXIDHWEI-KBPBESRZSA-N 1 1 328.420 0.836 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001058588404 774487144 /nfs/dbraw/zinc/48/71/44/774487144.db2.gz YZBIWZSIKUSTKC-FVQBIDKESA-N 1 1 343.431 0.676 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001058588404 774487147 /nfs/dbraw/zinc/48/71/47/774487147.db2.gz YZBIWZSIKUSTKC-FVQBIDKESA-N 1 1 343.431 0.676 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(c1nccnc1C#N)CC2 ZINC001058627180 774566555 /nfs/dbraw/zinc/56/65/55/774566555.db2.gz KNUFZODDOOWRBQ-HUUCEWRRSA-N 1 1 340.431 0.918 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O ZINC001044778581 774602174 /nfs/dbraw/zinc/60/21/74/774602174.db2.gz FUKRODDQNZHQIA-OIISXLGYSA-N 1 1 346.406 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)c2cc(C)[nH]n2)C1=O ZINC001044946038 774755441 /nfs/dbraw/zinc/75/54/41/774755441.db2.gz RTZBJXGAOKFKBA-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(CC)CCC2)C1 ZINC001044999304 774815980 /nfs/dbraw/zinc/81/59/80/774815980.db2.gz WGRHQHLFMBPXCK-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(CC)CCC2)C1 ZINC001044999304 774815988 /nfs/dbraw/zinc/81/59/88/774815988.db2.gz WGRHQHLFMBPXCK-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001045043476 774890263 /nfs/dbraw/zinc/89/02/63/774890263.db2.gz IVJWGTNHXDITRD-XHSDSOJGSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001045059996 774913298 /nfs/dbraw/zinc/91/32/98/774913298.db2.gz ZUJIRFSCDXFBRP-LSDHHAIUSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001045073108 774935269 /nfs/dbraw/zinc/93/52/69/774935269.db2.gz ZHQPVVLXPMCGFB-CABCVRRESA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070018591 790344895 /nfs/dbraw/zinc/34/48/95/790344895.db2.gz NRQSWTZQNADAEZ-KEYYUXOJSA-N 1 1 346.435 0.255 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044012007 775511372 /nfs/dbraw/zinc/51/13/72/775511372.db2.gz ZDACAQXLBPHQTK-CQSZACIVSA-N 1 1 337.464 0.620 20 30 ECEDMO CC1(NC(=O)[C@@H]2CNC(=O)N2)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001045542219 775764802 /nfs/dbraw/zinc/76/48/02/775764802.db2.gz HXRQXRJEFZZEST-HNNXBMFYSA-N 1 1 341.415 0.710 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 ZINC001068493624 790402282 /nfs/dbraw/zinc/40/22/82/790402282.db2.gz VMHBQWKFRJPANW-JOCQHMNTSA-N 1 1 325.376 0.860 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3C#N)C2)C1 ZINC001068496944 790408838 /nfs/dbraw/zinc/40/88/38/790408838.db2.gz IUSYRZANAKFFQE-BPUTZDHNSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3C#N)C2)C1 ZINC001068496944 790408844 /nfs/dbraw/zinc/40/88/44/790408844.db2.gz IUSYRZANAKFFQE-BPUTZDHNSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068498355 790412411 /nfs/dbraw/zinc/41/24/11/790412411.db2.gz KSUGVOYVDUQEHC-RBSFLKMASA-N 1 1 342.447 0.951 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)CCC)C2)CCC1 ZINC001044299091 776092314 /nfs/dbraw/zinc/09/23/14/776092314.db2.gz UVVPLZGBWVQOHO-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044303347 776103849 /nfs/dbraw/zinc/10/38/49/776103849.db2.gz UPWVTKBUXFBLID-UHFFFAOYSA-N 1 1 337.464 0.786 20 30 ECEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001044336440 776178489 /nfs/dbraw/zinc/17/84/89/776178489.db2.gz MTJYRCMVZHTOMB-UHFFFAOYSA-N 1 1 334.424 0.089 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001044475139 776335482 /nfs/dbraw/zinc/33/54/82/776335482.db2.gz LVVSLBAKAYXJDV-AWEZNQCLSA-N 1 1 337.464 0.761 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001070046540 790441871 /nfs/dbraw/zinc/44/18/71/790441871.db2.gz BXZBYTYYIRFCPL-OAGGEKHMSA-N 1 1 345.451 0.406 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)C[C@H]1C ZINC001044630155 776543142 /nfs/dbraw/zinc/54/31/42/776543142.db2.gz UHXPUZAXMFLRLH-ZIAGYGMSSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccnn3C)C2)C1=O ZINC001079639715 776585214 /nfs/dbraw/zinc/58/52/14/776585214.db2.gz PXFMZCGHBDPAPW-FVQBIDKESA-N 1 1 345.447 0.186 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079648450 776606975 /nfs/dbraw/zinc/60/69/75/776606975.db2.gz VNMPRHFATGOBKC-DFBGVHRSSA-N 1 1 328.372 0.603 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079648450 776606976 /nfs/dbraw/zinc/60/69/76/776606976.db2.gz VNMPRHFATGOBKC-DFBGVHRSSA-N 1 1 328.372 0.603 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@H+](C)CCC)C1 ZINC001079687461 776687194 /nfs/dbraw/zinc/68/71/94/776687194.db2.gz UTZSGNHRNBXNFD-KRWDZBQOSA-N 1 1 325.453 0.715 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001079690663 776695118 /nfs/dbraw/zinc/69/51/18/776695118.db2.gz ATTCAITWRLYOGE-UMVBOHGHSA-N 1 1 329.404 0.222 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001079774835 776846869 /nfs/dbraw/zinc/84/68/69/776846869.db2.gz MPVVWDWWXOSBDT-RDJZCZTQSA-N 1 1 345.443 0.182 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001079774835 776846879 /nfs/dbraw/zinc/84/68/79/776846879.db2.gz MPVVWDWWXOSBDT-RDJZCZTQSA-N 1 1 345.443 0.182 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001079777458 776854229 /nfs/dbraw/zinc/85/42/29/776854229.db2.gz ZYCKPLPNOCONFR-CYBMUJFWSA-N 1 1 332.404 0.289 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](C)CCOC)C1 ZINC001079824476 776942202 /nfs/dbraw/zinc/94/22/02/776942202.db2.gz RXBONORHDFFBFR-RDJZCZTQSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](C)CCOC)C1 ZINC001079824476 776942206 /nfs/dbraw/zinc/94/22/06/776942206.db2.gz RXBONORHDFFBFR-RDJZCZTQSA-N 1 1 349.475 0.816 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079859879 776989870 /nfs/dbraw/zinc/98/98/70/776989870.db2.gz NOVODDJVCNJGEV-SIIHOXLZSA-N 1 1 337.464 0.713 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@H]1C ZINC001079878305 777011173 /nfs/dbraw/zinc/01/11/73/777011173.db2.gz QTMPVFRIYLHKDD-OIISXLGYSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@H]1C ZINC001079878305 777011179 /nfs/dbraw/zinc/01/11/79/777011179.db2.gz QTMPVFRIYLHKDD-OIISXLGYSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001079879520 777012696 /nfs/dbraw/zinc/01/26/96/777012696.db2.gz WMOZITIYBLXYGR-DZUCGIPZSA-N 1 1 330.432 0.958 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001070071670 790507926 /nfs/dbraw/zinc/50/79/26/790507926.db2.gz FVXGXCMVNFCRRM-CVEARBPZSA-N 1 1 343.435 0.655 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001070071670 790507931 /nfs/dbraw/zinc/50/79/31/790507931.db2.gz FVXGXCMVNFCRRM-CVEARBPZSA-N 1 1 343.435 0.655 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070075299 790519059 /nfs/dbraw/zinc/51/90/59/790519059.db2.gz WKOQHDYTMPUQPL-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001079961493 777154492 /nfs/dbraw/zinc/15/44/92/777154492.db2.gz YEGJANACMYCKAD-LPWJVIDDSA-N 1 1 334.338 0.793 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070075299 790519067 /nfs/dbraw/zinc/51/90/67/790519067.db2.gz WKOQHDYTMPUQPL-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCSC)C1 ZINC001080009034 777221815 /nfs/dbraw/zinc/22/18/15/777221815.db2.gz NFMNUTMQTQXRAB-HNNXBMFYSA-N 1 1 337.489 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCSC)C1 ZINC001080009034 777221825 /nfs/dbraw/zinc/22/18/25/777221825.db2.gz NFMNUTMQTQXRAB-HNNXBMFYSA-N 1 1 337.489 0.896 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001080012614 777228185 /nfs/dbraw/zinc/22/81/85/777228185.db2.gz HPUUHEOGDNXSKR-JKSUJKDBSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001080036022 777281222 /nfs/dbraw/zinc/28/12/22/777281222.db2.gz HBFRGKAWLRBXHW-GHMZBOCLSA-N 1 1 325.390 0.000 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001080050996 777305579 /nfs/dbraw/zinc/30/55/79/777305579.db2.gz MCCPUXCGNKHXMB-GOEBONIOSA-N 1 1 335.448 0.568 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@@H]2n2ccnn2)cn1 ZINC001070080749 790535210 /nfs/dbraw/zinc/53/52/10/790535210.db2.gz XBAUITVCCYSDDJ-SJORKVTESA-N 1 1 338.415 0.966 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001080139429 777447423 /nfs/dbraw/zinc/44/74/23/777447423.db2.gz DKLCWLLZTFCFTO-ZIAGYGMSSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070082461 790541214 /nfs/dbraw/zinc/54/12/14/790541214.db2.gz NDKOLUFDHPERNP-SJORKVTESA-N 1 1 339.399 0.965 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070082461 790541216 /nfs/dbraw/zinc/54/12/16/790541216.db2.gz NDKOLUFDHPERNP-SJORKVTESA-N 1 1 339.399 0.965 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080265278 777629053 /nfs/dbraw/zinc/62/90/53/777629053.db2.gz YOCVQIKQNFYKMY-DAXOMENPSA-N 1 1 341.415 0.518 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080346933 777722069 /nfs/dbraw/zinc/72/20/69/777722069.db2.gz WRCCMEGUEBTVME-MLGOLLRUSA-N 1 1 337.383 0.892 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2C)CC1 ZINC001080391684 777785648 /nfs/dbraw/zinc/78/56/48/777785648.db2.gz ZLMWXBNYJDICBS-BPLDGKMQSA-N 1 1 333.432 0.975 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2C)CC1 ZINC001080391684 777785656 /nfs/dbraw/zinc/78/56/56/777785656.db2.gz ZLMWXBNYJDICBS-BPLDGKMQSA-N 1 1 333.432 0.975 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043130493 777788513 /nfs/dbraw/zinc/78/85/13/777788513.db2.gz RJFRAGBGJLHGGH-INIZCTEOSA-N 1 1 334.420 0.483 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043209315 777966529 /nfs/dbraw/zinc/96/65/29/777966529.db2.gz RAYGVERAHVJPQR-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001080533489 777973113 /nfs/dbraw/zinc/97/31/13/777973113.db2.gz HOAKNGOJPSWICF-AWEZNQCLSA-N 1 1 325.453 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001043235552 778027558 /nfs/dbraw/zinc/02/75/58/778027558.db2.gz UJTZTCPMUDFXCQ-LSDHHAIUSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080559413 778032858 /nfs/dbraw/zinc/03/28/58/778032858.db2.gz FAQYXHDSYOJRHX-KDOFPFPSSA-N 1 1 337.464 0.715 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080559414 778033537 /nfs/dbraw/zinc/03/35/37/778033537.db2.gz FAQYXHDSYOJRHX-KSSFIOAISA-N 1 1 337.464 0.715 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001043251857 778047360 /nfs/dbraw/zinc/04/73/60/778047360.db2.gz NROCKXMKRBBRDJ-VNHYZAJKSA-N 1 1 328.420 0.949 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043264138 778065526 /nfs/dbraw/zinc/06/55/26/778065526.db2.gz OEXQJETZXBUJRS-QLFBSQMISA-N 1 1 337.464 0.618 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2C)cc1 ZINC001080575074 778073314 /nfs/dbraw/zinc/07/33/14/778073314.db2.gz CDEIDFRTBXRQKY-XJKCOSOUSA-N 1 1 329.400 0.623 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2C)cc1 ZINC001080575074 778073322 /nfs/dbraw/zinc/07/33/22/778073322.db2.gz CDEIDFRTBXRQKY-XJKCOSOUSA-N 1 1 329.400 0.623 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]2C)nn1 ZINC001080580151 778085565 /nfs/dbraw/zinc/08/55/65/778085565.db2.gz LLIQKJDLVPBJAZ-NFAWXSAZSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]2C)nn1 ZINC001080580151 778085574 /nfs/dbraw/zinc/08/55/74/778085574.db2.gz LLIQKJDLVPBJAZ-NFAWXSAZSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2C)nn1 ZINC001080589651 778101713 /nfs/dbraw/zinc/10/17/13/778101713.db2.gz FDQIFHUZBMTOKB-FRRDWIJNSA-N 1 1 334.424 0.039 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2C)nn1 ZINC001080589651 778101717 /nfs/dbraw/zinc/10/17/17/778101717.db2.gz FDQIFHUZBMTOKB-FRRDWIJNSA-N 1 1 334.424 0.039 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001043320175 778153035 /nfs/dbraw/zinc/15/30/35/778153035.db2.gz OENJOIUOEQHTEB-GASCZTMLSA-N 1 1 337.464 0.905 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)C#CC1CC1)O2 ZINC001068572001 790604764 /nfs/dbraw/zinc/60/47/64/790604764.db2.gz ZXQQJVQDAMKTEV-HZPDHXFCSA-N 1 1 345.443 0.370 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)C(C)C)C2)CCC1 ZINC001043429498 778313988 /nfs/dbraw/zinc/31/39/88/778313988.db2.gz DEUJOOFJUDGBIB-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043433713 778325902 /nfs/dbraw/zinc/32/59/02/778325902.db2.gz WXEGZIIPAZOXNO-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043433716 778326224 /nfs/dbraw/zinc/32/62/24/778326224.db2.gz WXEGZIIPAZOXNO-OAHLLOKOSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102492 790614002 /nfs/dbraw/zinc/61/40/02/790614002.db2.gz NQKFLLSQURGAEY-ZACQAIPSSA-N 1 1 344.463 0.517 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001043461674 778370793 /nfs/dbraw/zinc/37/07/93/778370793.db2.gz CUGMIDRVHAWHBS-CQSZACIVSA-N 1 1 346.431 0.806 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043517662 778451100 /nfs/dbraw/zinc/45/11/00/778451100.db2.gz OEWKIZIRDOLICS-BFHYXJOUSA-N 1 1 328.420 0.371 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 ZINC001068587181 790640577 /nfs/dbraw/zinc/64/05/77/790640577.db2.gz SFMWEQDLWJVNBY-KBPBESRZSA-N 1 1 336.436 0.362 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001043660897 778681620 /nfs/dbraw/zinc/68/16/20/778681620.db2.gz OZDNQQYCYIAJQL-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO O=C(C#CC1CC1)N1CC(O)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043681948 778715228 /nfs/dbraw/zinc/71/52/28/778715228.db2.gz YNIMUAVRLOQDHZ-HZPDHXFCSA-N 1 1 345.443 0.106 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043774401 778852774 /nfs/dbraw/zinc/85/27/74/778852774.db2.gz WETVXLBUCRSDGL-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 ZINC001068593387 790660142 /nfs/dbraw/zinc/66/01/42/790660142.db2.gz FYTPMKVSUNKIIL-OCCSQVGLSA-N 1 1 345.403 0.227 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)C#CC(C)(C)C)CCOCC2)C1 ZINC001070122446 790684644 /nfs/dbraw/zinc/68/46/44/790684644.db2.gz XBWFVPYONKIQCR-HNNXBMFYSA-N 1 1 349.475 0.769 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@H](C)C#N)O2 ZINC001068622861 790738653 /nfs/dbraw/zinc/73/86/53/790738653.db2.gz MMOXBEQJZDAZSU-TZMCWYRMSA-N 1 1 345.403 0.227 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001042271868 779953747 /nfs/dbraw/zinc/95/37/47/779953747.db2.gz HAHNKFCYQJXWDV-HOCLYGCPSA-N 1 1 328.416 0.823 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCO[C@H](C[NH2+]Cc3ccon3)C2)nn1 ZINC001078483398 779959491 /nfs/dbraw/zinc/95/94/91/779959491.db2.gz VFNCNOUCSJTCLR-CQSZACIVSA-N 1 1 346.391 0.473 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]21 ZINC001042312081 780052996 /nfs/dbraw/zinc/05/29/96/780052996.db2.gz MUVLHGKMUXVXTD-WCQYABFASA-N 1 1 328.376 0.140 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042319928 780068597 /nfs/dbraw/zinc/06/85/97/780068597.db2.gz LPSMGOYVUJKNRO-ZBFHGGJFSA-N 1 1 329.400 0.622 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@@H]21 ZINC001042325455 780075567 /nfs/dbraw/zinc/07/55/67/780075567.db2.gz FZMJUTOQTLPWQC-WBMJQRKESA-N 1 1 337.383 0.900 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3nc(C4CC4)nn3C)C[C@H]21 ZINC001042362936 780147273 /nfs/dbraw/zinc/14/72/73/780147273.db2.gz NGXIVSYJFWTOBT-UKRRQHHQSA-N 1 1 327.432 0.791 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(OC)ncnc3OC)C[C@@H]21 ZINC001042379284 780173096 /nfs/dbraw/zinc/17/30/96/780173096.db2.gz JIKSJOXVCWQXNL-OLZOCXBDSA-N 1 1 330.388 0.663 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042403534 780211503 /nfs/dbraw/zinc/21/15/03/780211503.db2.gz DKLRHBICSFLIPZ-YUELXQCFSA-N 1 1 328.420 0.773 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1 ZINC001070156288 790776322 /nfs/dbraw/zinc/77/63/22/790776322.db2.gz ZJGIDQPNRVSKRQ-YPMHNXCESA-N 1 1 335.799 0.419 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1C ZINC001042621057 780541386 /nfs/dbraw/zinc/54/13/86/780541386.db2.gz GUAUZLKKAISTEZ-MCIONIFRSA-N 1 1 331.395 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1C ZINC001042621057 780541395 /nfs/dbraw/zinc/54/13/95/780541395.db2.gz GUAUZLKKAISTEZ-MCIONIFRSA-N 1 1 331.395 0.654 20 30 ECEDMO C=CCOCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001078885388 780583568 /nfs/dbraw/zinc/58/35/68/780583568.db2.gz ZKRZXVGBDKXAKE-HZPDHXFCSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001042663926 780607522 /nfs/dbraw/zinc/60/75/22/780607522.db2.gz JISISTVFYDNMTM-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001078934032 780626771 /nfs/dbraw/zinc/62/67/71/780626771.db2.gz JZFFYCQRJMZLSO-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001078934032 780626775 /nfs/dbraw/zinc/62/67/75/780626775.db2.gz JZFFYCQRJMZLSO-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)CCOC)CC1 ZINC001078990660 780683820 /nfs/dbraw/zinc/68/38/20/780683820.db2.gz KMPNQLBLBMCKKB-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)CCOC)CC1 ZINC001078990660 780683822 /nfs/dbraw/zinc/68/38/22/780683822.db2.gz KMPNQLBLBMCKKB-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001079135660 780798930 /nfs/dbraw/zinc/79/89/30/780798930.db2.gz GDFBLYIIRPHSHM-XFKSJGNHSA-N 1 1 340.423 0.730 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001079135660 780798935 /nfs/dbraw/zinc/79/89/35/780798935.db2.gz GDFBLYIIRPHSHM-XFKSJGNHSA-N 1 1 340.423 0.730 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCNC2=O)C1 ZINC001079140402 780804251 /nfs/dbraw/zinc/80/42/51/780804251.db2.gz GQPPAJBOOHSFLY-GVDBMIGSSA-N 1 1 343.427 0.382 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCNC2=O)C1 ZINC001079140402 780804263 /nfs/dbraw/zinc/80/42/63/780804263.db2.gz GQPPAJBOOHSFLY-GVDBMIGSSA-N 1 1 343.427 0.382 20 30 ECEDMO C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2cnon2)CC1 ZINC001079166245 780850000 /nfs/dbraw/zinc/85/00/00/780850000.db2.gz ZAZGFKMQZJSSQU-CYBMUJFWSA-N 1 1 348.407 0.274 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001079345139 781010798 /nfs/dbraw/zinc/01/07/98/781010798.db2.gz ZRDDJCSPBDMUIR-GXTWGEPZSA-N 1 1 338.477 0.500 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001042940334 781071963 /nfs/dbraw/zinc/07/19/63/781071963.db2.gz MWIQHRZXSUXONF-CQSZACIVSA-N 1 1 344.415 0.109 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001042943862 781078869 /nfs/dbraw/zinc/07/88/69/781078869.db2.gz ZARXLDLVNRPGOF-GJZGRUSLSA-N 1 1 335.448 0.066 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2noc(C)n2)C1 ZINC001042960349 781102289 /nfs/dbraw/zinc/10/22/89/781102289.db2.gz NQUWHUJKICDNLP-WFASDCNBSA-N 1 1 331.420 0.679 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2noc(C)n2)C1 ZINC001042960349 781102294 /nfs/dbraw/zinc/10/22/94/781102294.db2.gz NQUWHUJKICDNLP-WFASDCNBSA-N 1 1 331.420 0.679 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001079453489 781136374 /nfs/dbraw/zinc/13/63/74/781136374.db2.gz QPHUKRDQQDLMTF-WQVCFCJDSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001079453489 781136376 /nfs/dbraw/zinc/13/63/76/781136376.db2.gz QPHUKRDQQDLMTF-WQVCFCJDSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCCC(=O)N(CC)C1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001079474151 781157906 /nfs/dbraw/zinc/15/79/06/781157906.db2.gz PPMRFKIZRITILF-MRXNPFEDSA-N 1 1 347.463 0.839 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001043062091 781260013 /nfs/dbraw/zinc/26/00/13/781260013.db2.gz VRCZDKQGQOLFEQ-CQSZACIVSA-N 1 1 337.464 0.620 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581483 781286056 /nfs/dbraw/zinc/28/60/56/781286056.db2.gz QRUHSMDVDSSAAT-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079600980 781306830 /nfs/dbraw/zinc/30/68/30/781306830.db2.gz BSBCXTGQWANRCW-KCPJHIHWSA-N 1 1 339.403 0.715 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079601087 781306945 /nfs/dbraw/zinc/30/69/45/781306945.db2.gz IAOVSKMYOGMPQJ-GDBMZVCRSA-N 1 1 339.399 0.472 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079601087 781306950 /nfs/dbraw/zinc/30/69/50/781306950.db2.gz IAOVSKMYOGMPQJ-GDBMZVCRSA-N 1 1 339.399 0.472 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O ZINC001041402779 781441129 /nfs/dbraw/zinc/44/11/29/781441129.db2.gz CTVFFWJCHGEETI-IXDOHACOSA-N 1 1 343.431 0.493 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnc4ccc(OC)nn43)C2)C1 ZINC001041422365 781473890 /nfs/dbraw/zinc/47/38/90/781473890.db2.gz NDBPOANFBTYHJR-GOSISDBHSA-N 1 1 339.399 0.909 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C2)C1 ZINC001041425270 781479609 /nfs/dbraw/zinc/47/96/09/781479609.db2.gz UQFAQAYSQFYTLI-QGZVFWFLSA-N 1 1 325.372 0.835 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3sccc3-n3cnnn3)C2)C1 ZINC001041436501 781510537 /nfs/dbraw/zinc/51/05/37/781510537.db2.gz GPEYWDMBPOMTSQ-MRXNPFEDSA-N 1 1 342.428 0.895 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1O ZINC001077694635 781532003 /nfs/dbraw/zinc/53/20/03/781532003.db2.gz YVWUNHXZLILUOI-VQHPVUNQSA-N 1 1 331.416 0.642 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1O ZINC001077694635 781532009 /nfs/dbraw/zinc/53/20/09/781532009.db2.gz YVWUNHXZLILUOI-VQHPVUNQSA-N 1 1 331.416 0.642 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNc2ccncc2C#N)C1 ZINC001041483261 781606314 /nfs/dbraw/zinc/60/63/14/781606314.db2.gz QBXCMOVHSMXNTJ-RDJZCZTQSA-N 1 1 343.431 0.499 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4CC3)C2)C1 ZINC001041487421 781615757 /nfs/dbraw/zinc/61/57/57/781615757.db2.gz SHNXOVMIQVCFOG-QAPCUYQASA-N 1 1 327.432 0.788 20 30 ECEDMO N#CCN1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041490141 781620207 /nfs/dbraw/zinc/62/02/07/781620207.db2.gz YEDSKGYAVCWEJI-CQDXFGNVSA-N 1 1 330.432 0.298 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(C)(C)C)C1 ZINC001041499235 781636269 /nfs/dbraw/zinc/63/62/69/781636269.db2.gz SBDHVEDXUIBDMU-AWEZNQCLSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(C)(C)C)C1 ZINC001041499235 781636275 /nfs/dbraw/zinc/63/62/75/781636275.db2.gz SBDHVEDXUIBDMU-AWEZNQCLSA-N 1 1 335.448 0.210 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2nccnc2C#N)CCCO1 ZINC001039907734 783255765 /nfs/dbraw/zinc/25/57/65/783255765.db2.gz IFYSIEATYSYFMR-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCCO1 ZINC001039907842 783256525 /nfs/dbraw/zinc/25/65/25/783256525.db2.gz KGJYAKPECQVNKP-GJZGRUSLSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(c3ccnc(C#N)n3)CCCO2)C1 ZINC001039914877 783274016 /nfs/dbraw/zinc/27/40/16/783274016.db2.gz CRJKTBFMMRRVQA-KGLIPLIRSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001040726410 783335161 /nfs/dbraw/zinc/33/51/61/783335161.db2.gz DYCCKLBCGRAQHU-CRAIPNDOSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)CCCC=C)C1 ZINC001040730113 783342374 /nfs/dbraw/zinc/34/23/74/783342374.db2.gz WLKHEWLAKNEAEW-QFBILLFUSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)CCCC=C)C1 ZINC001040730113 783342381 /nfs/dbraw/zinc/34/23/81/783342381.db2.gz WLKHEWLAKNEAEW-QFBILLFUSA-N 1 1 347.459 0.520 20 30 ECEDMO C=CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001040813722 783491031 /nfs/dbraw/zinc/49/10/31/783491031.db2.gz BHKZMLWSTPZZIG-KXBFYZLASA-N 1 1 349.475 0.907 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001040821985 783506627 /nfs/dbraw/zinc/50/66/27/783506627.db2.gz GXDQVUNGMBVKJS-OFQRWUPVSA-N 1 1 340.431 0.870 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001040821984 783506901 /nfs/dbraw/zinc/50/69/01/783506901.db2.gz GXDQVUNGMBVKJS-IJEWVQPXSA-N 1 1 340.431 0.870 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070224265 783693054 /nfs/dbraw/zinc/69/30/54/783693054.db2.gz WQXUNFCQDVGFNE-PMPSAXMXSA-N 1 1 345.451 0.264 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(NC(=O)C[N@H+]2CCC[C@H]2C)CCOCC1 ZINC001070252588 783746860 /nfs/dbraw/zinc/74/68/60/783746860.db2.gz KYIYPQCJTLAOOO-ZIAGYGMSSA-N 1 1 336.436 0.412 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCOCC1 ZINC001070254679 783751292 /nfs/dbraw/zinc/75/12/92/783751292.db2.gz STHAECRHULAPFD-HZPDHXFCSA-N 1 1 349.475 0.625 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070277013 783784256 /nfs/dbraw/zinc/78/42/56/783784256.db2.gz CQHCZJZIQLWVAE-ZZVYKPCYSA-N 1 1 339.827 0.797 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1n1ccnn1 ZINC001070311357 783817563 /nfs/dbraw/zinc/81/75/63/783817563.db2.gz ZDYDTSMVALIIQR-KGLIPLIRSA-N 1 1 349.826 0.348 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C(N)=O)cc2)c1 ZINC001038154880 783923238 /nfs/dbraw/zinc/92/32/38/783923238.db2.gz UGRFZMGMEMQEMX-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C(N)=O)cc2)c1 ZINC001038154880 783923246 /nfs/dbraw/zinc/92/32/46/783923246.db2.gz UGRFZMGMEMQEMX-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C(N)=O)cc2)[nH]1 ZINC001038171384 783947391 /nfs/dbraw/zinc/94/73/91/783947391.db2.gz XJVRHLKCUHMAHP-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C(N)=O)cc2)[nH]1 ZINC001038171384 783947393 /nfs/dbraw/zinc/94/73/93/783947393.db2.gz XJVRHLKCUHMAHP-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001070394574 783953652 /nfs/dbraw/zinc/95/36/52/783953652.db2.gz LVZLARYPCIUVOQ-LBPRGKRZSA-N 1 1 340.387 0.648 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCO2)C1 ZINC001070398009 783962058 /nfs/dbraw/zinc/96/20/58/783962058.db2.gz MVPQAORUUUHHJA-HIFRSBDPSA-N 1 1 334.420 0.807 20 30 ECEDMO N#Cc1cc(C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCCO)C2)c[nH]1 ZINC001070403305 783977043 /nfs/dbraw/zinc/97/70/43/783977043.db2.gz PNEANMBXJJOOLP-GFCCVEGCSA-N 1 1 342.403 0.711 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001070403225 783977060 /nfs/dbraw/zinc/97/70/60/783977060.db2.gz NXCOWRWEICJBGS-GDBMZVCRSA-N 1 1 347.463 0.722 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ncn(C)n2)C1 ZINC001070408407 783992710 /nfs/dbraw/zinc/99/27/10/783992710.db2.gz QTOBGRKJQYLNPQ-GFCCVEGCSA-N 1 1 329.408 0.834 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001070414097 784010640 /nfs/dbraw/zinc/01/06/40/784010640.db2.gz FHYWYIVYYNLWPV-KGLIPLIRSA-N 1 1 343.431 0.365 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001070417761 784021360 /nfs/dbraw/zinc/02/13/60/784021360.db2.gz BDYQPWAEWQTGEO-KBPBESRZSA-N 1 1 345.447 0.918 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001070419854 784025850 /nfs/dbraw/zinc/02/58/50/784025850.db2.gz KDKMNAVKZCTCOE-GXTWGEPZSA-N 1 1 331.420 0.527 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCCC(C)=O)C1 ZINC001070425250 784040514 /nfs/dbraw/zinc/04/05/14/784040514.db2.gz LDMDHTFOATZOCU-SJORKVTESA-N 1 1 347.459 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCCC(C)=O)C1 ZINC001070425250 784040526 /nfs/dbraw/zinc/04/05/26/784040526.db2.gz LDMDHTFOATZOCU-SJORKVTESA-N 1 1 347.459 0.951 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(CC)cn2)C1 ZINC001070432961 784058195 /nfs/dbraw/zinc/05/81/95/784058195.db2.gz WHAZOWGYWCZPKW-ZDUSSCGKSA-N 1 1 326.404 0.979 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nonc2C)C1 ZINC001070435269 784064429 /nfs/dbraw/zinc/06/44/29/784064429.db2.gz BJCVFVBVQBSENE-GFCCVEGCSA-N 1 1 328.376 0.844 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001070435510 784065237 /nfs/dbraw/zinc/06/52/37/784065237.db2.gz ITAWTLFDFPYSIT-LBPRGKRZSA-N 1 1 344.419 0.352 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)F)C1 ZINC001070901707 784080809 /nfs/dbraw/zinc/08/08/09/784080809.db2.gz INZMXNCSVLWFKG-MJBXVCDLSA-N 1 1 337.395 0.864 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)F)C1 ZINC001070901707 784080811 /nfs/dbraw/zinc/08/08/11/784080811.db2.gz INZMXNCSVLWFKG-MJBXVCDLSA-N 1 1 337.395 0.864 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442572 784085559 /nfs/dbraw/zinc/08/55/59/784085559.db2.gz JTLLYBUTQKLFCX-GJZGRUSLSA-N 1 1 342.447 0.068 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CN(C(=O)c1ccon1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442426 784085612 /nfs/dbraw/zinc/08/56/12/784085612.db2.gz HYGZISSNPCJUCM-ZDUSSCGKSA-N 1 1 340.387 0.666 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442689 784086625 /nfs/dbraw/zinc/08/66/25/784086625.db2.gz MTGFEXFSCXSJLJ-CABCVRRESA-N 1 1 345.447 0.954 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1cn[nH]n1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446123 784098994 /nfs/dbraw/zinc/09/89/94/784098994.db2.gz SSGCZAMWZIGBRG-GFCCVEGCSA-N 1 1 342.407 0.349 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cnco1)C[C@H]2c1nnc(C)[nH]1 ZINC001070448265 784103683 /nfs/dbraw/zinc/10/36/83/784103683.db2.gz VNEMRIDKMAKSNQ-LBPRGKRZSA-N 1 1 328.376 0.829 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916556 784108911 /nfs/dbraw/zinc/10/89/11/784108911.db2.gz PMYOSVKFYNJIKJ-NFAWXSAZSA-N 1 1 346.387 0.970 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001070919941 784115291 /nfs/dbraw/zinc/11/52/91/784115291.db2.gz ZELPZOJJTOEQFP-ZNMIVQPWSA-N 1 1 349.406 0.865 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001070919941 784115293 /nfs/dbraw/zinc/11/52/93/784115293.db2.gz ZELPZOJJTOEQFP-ZNMIVQPWSA-N 1 1 349.406 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](CC)OC)C1 ZINC001070921878 784120086 /nfs/dbraw/zinc/12/00/86/784120086.db2.gz RHLXQEDKIBQNFR-PMPSAXMXSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](CC)OC)C1 ZINC001070921878 784120088 /nfs/dbraw/zinc/12/00/88/784120088.db2.gz RHLXQEDKIBQNFR-PMPSAXMXSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCOC2)CC1 ZINC001070951790 784207241 /nfs/dbraw/zinc/20/72/41/784207241.db2.gz YLSCPYNDTMOJDY-MRXNPFEDSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCOC2)CC1 ZINC001070951790 784207247 /nfs/dbraw/zinc/20/72/47/784207247.db2.gz YLSCPYNDTMOJDY-MRXNPFEDSA-N 1 1 335.448 0.477 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001070991587 784343694 /nfs/dbraw/zinc/34/36/94/784343694.db2.gz ZEBSCILVYOJPFN-UHFFFAOYSA-N 1 1 347.419 0.000 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)n2C)CC1 ZINC001070992585 784346621 /nfs/dbraw/zinc/34/66/21/784346621.db2.gz PDPZIGUODFKYGO-UHFFFAOYSA-N 1 1 347.463 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[C@@H](C)O2)CC1 ZINC001070995033 784353281 /nfs/dbraw/zinc/35/32/81/784353281.db2.gz OKPUKSHOGWWSFC-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[C@@H](C)O2)CC1 ZINC001070995033 784353289 /nfs/dbraw/zinc/35/32/89/784353289.db2.gz OKPUKSHOGWWSFC-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)C1 ZINC001070585604 784363174 /nfs/dbraw/zinc/36/31/74/784363174.db2.gz GYZHJCURHMWBOS-CABCVRRESA-N 1 1 335.448 0.474 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)C1 ZINC001070585604 784363176 /nfs/dbraw/zinc/36/31/76/784363176.db2.gz GYZHJCURHMWBOS-CABCVRRESA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001071000166 784370994 /nfs/dbraw/zinc/37/09/94/784370994.db2.gz QPNMROONUFYPOR-MRXNPFEDSA-N 1 1 336.480 0.555 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001071006098 784388003 /nfs/dbraw/zinc/38/80/03/784388003.db2.gz ULGQVLUJSCOEKM-MRXNPFEDSA-N 1 1 349.479 0.423 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C2CCOCC2)n1 ZINC001070595519 784403829 /nfs/dbraw/zinc/40/38/29/784403829.db2.gz DZGOINWSJGBZIO-HOTGVXAUSA-N 1 1 346.431 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C[C@@H]2CCOC2)n1 ZINC001070595829 784405413 /nfs/dbraw/zinc/40/54/13/784405413.db2.gz PMSPSRKFAXDBLU-JYJNAYRXSA-N 1 1 346.431 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C[C@H]2CCOC2)n1 ZINC001070595831 784405514 /nfs/dbraw/zinc/40/55/14/784405514.db2.gz PMSPSRKFAXDBLU-PMPSAXMXSA-N 1 1 346.431 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001070597964 784409823 /nfs/dbraw/zinc/40/98/23/784409823.db2.gz FONCILMGFYATFR-NBFUAULTSA-N 1 1 344.415 0.437 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnn(C)c2)n1 ZINC001070601102 784417355 /nfs/dbraw/zinc/41/73/55/784417355.db2.gz ALYAKWLEKOZJFF-LSDHHAIUSA-N 1 1 342.403 0.591 20 30 ECEDMO CC#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cc[nH]n2)n1 ZINC001070601384 784417910 /nfs/dbraw/zinc/41/79/10/784417910.db2.gz JHQCJXWAVSCDHP-UONOGXRCSA-N 1 1 342.403 0.971 20 30 ECEDMO Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cncn2C)co1 ZINC001070630459 784462740 /nfs/dbraw/zinc/46/27/40/784462740.db2.gz RFHUSXMXHCIYLK-KCPJHIHWSA-N 1 1 342.403 0.960 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)[nH]n1)C[C@H](C)O2 ZINC001071129497 784570195 /nfs/dbraw/zinc/57/01/95/784570195.db2.gz MBRVNAMEIHHLQJ-GUYCJALGSA-N 1 1 330.388 0.511 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1nnc[nH]1)C[C@@H](C)O2 ZINC001071152064 784612745 /nfs/dbraw/zinc/61/27/45/784612745.db2.gz RFIWFBOMLMCKRR-PBHICJAKSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@@H](C)O2 ZINC001071152064 784612748 /nfs/dbraw/zinc/61/27/48/784612748.db2.gz RFIWFBOMLMCKRR-PBHICJAKSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@@H](C)O2 ZINC001071152064 784612756 /nfs/dbraw/zinc/61/27/56/784612756.db2.gz RFIWFBOMLMCKRR-PBHICJAKSA-N 1 1 331.420 0.452 20 30 ECEDMO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071154750 784616784 /nfs/dbraw/zinc/61/67/84/784616784.db2.gz PFZXTNYMJXVQSG-GUYCJALGSA-N 1 1 332.404 0.574 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001070731656 784622083 /nfs/dbraw/zinc/62/20/83/784622083.db2.gz HRMIYHGSIRYNAD-HUUCEWRRSA-N 1 1 335.448 0.616 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)C[C@H](C)O2 ZINC001071157270 784622482 /nfs/dbraw/zinc/62/24/82/784622482.db2.gz VCGKLQSMKJERKP-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccnn1C)C[C@H](C)O2 ZINC001071162407 784632691 /nfs/dbraw/zinc/63/26/91/784632691.db2.gz TXEWPWDTIWTCTG-MAUKXSAKSA-N 1 1 330.432 0.678 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc(C)o1)C[C@H](C)O2 ZINC001071164092 784636340 /nfs/dbraw/zinc/63/63/40/784636340.db2.gz HHGLUVSVXBKCKN-SUMWQHHRSA-N 1 1 332.404 0.636 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1CS(=O)(=O)C1)C[C@H](C)O2 ZINC001071168854 784646300 /nfs/dbraw/zinc/64/63/00/784646300.db2.gz IQKVGDIDWJGWSY-BBRMVZONSA-N 1 1 342.461 0.299 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CS(=O)(=O)C1)C[C@H](C)O2 ZINC001071168854 784646302 /nfs/dbraw/zinc/64/63/02/784646302.db2.gz IQKVGDIDWJGWSY-BBRMVZONSA-N 1 1 342.461 0.299 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1ccn(C)n1)C[C@@H](C)O2 ZINC001071171544 784654231 /nfs/dbraw/zinc/65/42/31/784654231.db2.gz ONUGMZKOTRZCEV-CRAIPNDOSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn3c(n1)CCC3)C[C@H](C)O2 ZINC001071172278 784655309 /nfs/dbraw/zinc/65/53/09/784655309.db2.gz ZPGBIYKSLXSHRF-KSSFIOAISA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn3c(n1)CCC3)C[C@H](C)O2 ZINC001071172278 784655312 /nfs/dbraw/zinc/65/53/12/784655312.db2.gz ZPGBIYKSLXSHRF-KSSFIOAISA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@@H](C)O2 ZINC001071176439 784666128 /nfs/dbraw/zinc/66/61/28/784666128.db2.gz VPNCKUAVRZDDPC-DYVFJYSZSA-N 1 1 330.388 0.214 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@@H](C)O2 ZINC001071176439 784666134 /nfs/dbraw/zinc/66/61/34/784666134.db2.gz VPNCKUAVRZDDPC-DYVFJYSZSA-N 1 1 330.388 0.214 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1[nH]c(=O)[nH]c1C)C[C@H](C)O2 ZINC001071178577 784673385 /nfs/dbraw/zinc/67/33/85/784673385.db2.gz RXINEEDJXVBMME-YVEFUNNKSA-N 1 1 332.404 0.752 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071190327 784698247 /nfs/dbraw/zinc/69/82/47/784698247.db2.gz XJWYFTSYRRPQLO-BEFAXECRSA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@@H](C)O2 ZINC001071191058 784700739 /nfs/dbraw/zinc/70/07/39/784700739.db2.gz AARVAACYUQREKD-KDOFPFPSSA-N 1 1 344.415 0.109 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071191397 784701462 /nfs/dbraw/zinc/70/14/62/784701462.db2.gz FVHJHTODWUKPGX-FZKQIMNGSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cncc1C)C[C@H](C)O2 ZINC001071191632 784702069 /nfs/dbraw/zinc/70/20/69/784702069.db2.gz HSQVKWVXDAIPGH-WMZOPIPTSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001070811512 784708160 /nfs/dbraw/zinc/70/81/60/784708160.db2.gz PQZPWSQFKVAZLN-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001070811512 784708164 /nfs/dbraw/zinc/70/81/64/784708164.db2.gz PQZPWSQFKVAZLN-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@@H](C)O2 ZINC001071202219 784724996 /nfs/dbraw/zinc/72/49/96/784724996.db2.gz RJEBWPUDZMQJRH-CXAGYDPISA-N 1 1 332.404 0.651 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001071207225 784738853 /nfs/dbraw/zinc/73/88/53/784738853.db2.gz WTQKALIZTOAFCI-FZKQIMNGSA-N 1 1 342.399 0.235 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@@H](C)O2 ZINC001071211076 784744212 /nfs/dbraw/zinc/74/42/12/784744212.db2.gz BGJVQMAPGRAVNM-KDOFPFPSSA-N 1 1 329.400 0.324 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@H](C)O2 ZINC001071211918 784748137 /nfs/dbraw/zinc/74/81/37/784748137.db2.gz PYAIMJIJJONFBQ-UGSOOPFHSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC=C)nn1)C[C@@H](C)O2 ZINC001071215942 784755371 /nfs/dbraw/zinc/75/53/71/784755371.db2.gz JMHICLHZBQGXSM-CRAIPNDOSA-N 1 1 343.431 0.793 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@@H](C)O2 ZINC001071218369 784762206 /nfs/dbraw/zinc/76/22/06/784762206.db2.gz MRLVJKGVGDKBDL-CXAGYDPISA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@@H](C)O2 ZINC001071218369 784762212 /nfs/dbraw/zinc/76/22/12/784762212.db2.gz MRLVJKGVGDKBDL-CXAGYDPISA-N 1 1 330.388 0.424 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(CC)n1)C[C@H](C)O2 ZINC001071220314 784769129 /nfs/dbraw/zinc/76/91/29/784769129.db2.gz FJSWAPMPNBYOAU-KSSFIOAISA-N 1 1 346.431 0.755 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)C[C@@H](C)O2 ZINC001071227198 784785192 /nfs/dbraw/zinc/78/51/92/784785192.db2.gz ATXFTBWPWKQFCK-AUUYWEPGSA-N 1 1 342.443 0.847 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)C[C@H](C)O2 ZINC001071227201 784785650 /nfs/dbraw/zinc/78/56/50/784785650.db2.gz ATXFTBWPWKQFCK-LIRRHRJNSA-N 1 1 342.443 0.847 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@@H](C)O2 ZINC001071227705 784786241 /nfs/dbraw/zinc/78/62/41/784786241.db2.gz ITGNWOFGSCHBPN-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001070900291 784808426 /nfs/dbraw/zinc/80/84/26/784808426.db2.gz HQGWDGSWNYPBOO-UTUOFQBUSA-N 1 1 327.331 0.381 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001070900291 784808433 /nfs/dbraw/zinc/80/84/33/784808433.db2.gz HQGWDGSWNYPBOO-UTUOFQBUSA-N 1 1 327.331 0.381 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@H](C)O2 ZINC001071244568 784823607 /nfs/dbraw/zinc/82/36/07/784823607.db2.gz WZVDBMJFOAYYPQ-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)C[C@H](C)O2 ZINC001071245452 784824727 /nfs/dbraw/zinc/82/47/27/784824727.db2.gz CTTYYPZGJICLNH-SCLBCKFNSA-N 1 1 344.415 0.672 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 ZINC001071272788 784908066 /nfs/dbraw/zinc/90/80/66/784908066.db2.gz XHDFNDUFDYGJIY-HOTGVXAUSA-N 1 1 347.463 0.129 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071413598 785062278 /nfs/dbraw/zinc/06/22/78/785062278.db2.gz JVEMDFMTAGNLKW-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CC(=O)N1CCC1 ZINC001071413598 785062284 /nfs/dbraw/zinc/06/22/84/785062284.db2.gz JVEMDFMTAGNLKW-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068757598 791080538 /nfs/dbraw/zinc/08/05/38/791080538.db2.gz YADGIPKLYVGYPE-QLFBSQMISA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC[C@@H]1C ZINC001071508999 785216422 /nfs/dbraw/zinc/21/64/22/785216422.db2.gz WFVHVPFKZXERFL-KBPBESRZSA-N 1 1 333.432 0.764 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001071875770 785255221 /nfs/dbraw/zinc/25/52/21/785255221.db2.gz YLKVKSXHZYBDAC-DOMZBBRYSA-N 1 1 331.420 0.803 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@H]1C ZINC001071891097 785278752 /nfs/dbraw/zinc/27/87/52/785278752.db2.gz WXDUYFSYUFNLAI-HUUCEWRRSA-N 1 1 348.451 0.724 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071549019 785285202 /nfs/dbraw/zinc/28/52/02/785285202.db2.gz NGJOPXDHEKUFTO-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1C ZINC001071967502 785435193 /nfs/dbraw/zinc/43/51/93/785435193.db2.gz MTGZDEPTAMNLPW-STQMWFEESA-N 1 1 334.420 0.309 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@H]1C ZINC001071646200 785441739 /nfs/dbraw/zinc/44/17/39/785441739.db2.gz UBKSKXKVUNFZOT-MNOVXSKESA-N 1 1 327.406 0.696 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[C@H]1C ZINC001071659746 785467316 /nfs/dbraw/zinc/46/73/16/785467316.db2.gz KPZFDYPWELAZNN-ZIAGYGMSSA-N 1 1 334.420 0.884 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1C ZINC001071989462 785486569 /nfs/dbraw/zinc/48/65/69/785486569.db2.gz PSJZIJCUBONESG-VXGBXAGGSA-N 1 1 328.376 0.024 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C ZINC001071685584 785519474 /nfs/dbraw/zinc/51/94/74/785519474.db2.gz DSAKMUBPIACWTE-GJZGRUSLSA-N 1 1 341.477 0.404 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@H]1C ZINC001071688910 785528381 /nfs/dbraw/zinc/52/83/81/785528381.db2.gz BEBQYULHCUARCS-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1C ZINC001072048075 785571959 /nfs/dbraw/zinc/57/19/59/785571959.db2.gz IBJCLEKXTOKQKW-CHWSQXEVSA-N 1 1 334.420 0.309 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1C ZINC001072048078 785572158 /nfs/dbraw/zinc/57/21/58/785572158.db2.gz IBJCLEKXTOKQKW-STQMWFEESA-N 1 1 334.420 0.309 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@H]1C ZINC001072098984 785666656 /nfs/dbraw/zinc/66/66/56/785666656.db2.gz JTWZHYLUWIAHAA-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001072390805 786123592 /nfs/dbraw/zinc/12/35/92/786123592.db2.gz UQUHNIFTPXDGAA-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)C(C)(F)F)C3)C2)C1=O ZINC001072391296 786124230 /nfs/dbraw/zinc/12/42/30/786124230.db2.gz BMKLZWPYUSJHCE-GFCCVEGCSA-N 1 1 327.375 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cnn(C)c4)C3)C2)C1=O ZINC001072452221 786205137 /nfs/dbraw/zinc/20/51/37/786205137.db2.gz DWNARHKCLKPUAD-OAHLLOKOSA-N 1 1 343.431 0.355 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001072479206 786247413 /nfs/dbraw/zinc/24/74/13/786247413.db2.gz UFMUIBLSDFRUKB-IUODEOHRSA-N 1 1 331.420 0.805 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C)c1 ZINC001072480657 786252413 /nfs/dbraw/zinc/25/24/13/786252413.db2.gz HRCMCSLTZSSRIR-WMLDXEAASA-N 1 1 342.443 0.981 20 30 ECEDMO O=C([C@@H]1COCCO1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001072493183 786275703 /nfs/dbraw/zinc/27/57/03/786275703.db2.gz UMMREEYQCONNPF-SFHVURJKSA-N 1 1 340.423 0.988 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 ZINC001074293871 786612816 /nfs/dbraw/zinc/61/28/16/786612816.db2.gz FDLGBJGAUVGJSC-LSDHHAIUSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 ZINC001074293871 786612821 /nfs/dbraw/zinc/61/28/21/786612821.db2.gz FDLGBJGAUVGJSC-LSDHHAIUSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@H]21 ZINC001074297814 786625111 /nfs/dbraw/zinc/62/51/11/786625111.db2.gz UXOOKNMHOXTALM-HUUCEWRRSA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@H]21 ZINC001074297814 786625113 /nfs/dbraw/zinc/62/51/13/786625113.db2.gz UXOOKNMHOXTALM-HUUCEWRRSA-N 1 1 342.403 0.616 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073567885 786631086 /nfs/dbraw/zinc/63/10/86/786631086.db2.gz FKVXBBDUIDRHNG-GXTWGEPZSA-N 1 1 347.419 0.184 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073567885 786631091 /nfs/dbraw/zinc/63/10/91/786631091.db2.gz FKVXBBDUIDRHNG-GXTWGEPZSA-N 1 1 347.419 0.184 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@@H]21 ZINC001074315469 786659124 /nfs/dbraw/zinc/65/91/24/786659124.db2.gz WVQTUTZCDWCASF-GJZGRUSLSA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@@H]21 ZINC001074315469 786659127 /nfs/dbraw/zinc/65/91/27/786659127.db2.gz WVQTUTZCDWCASF-GJZGRUSLSA-N 1 1 342.403 0.616 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074340507 786709990 /nfs/dbraw/zinc/70/99/90/786709990.db2.gz JUTFAUWZQSWHAN-CVEARBPZSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074340507 786710000 /nfs/dbraw/zinc/71/00/00/786710000.db2.gz JUTFAUWZQSWHAN-CVEARBPZSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001074357321 786747019 /nfs/dbraw/zinc/74/70/19/786747019.db2.gz YNLFDWDMYYYDKT-LSDHHAIUSA-N 1 1 349.431 0.307 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001074357321 786747023 /nfs/dbraw/zinc/74/70/23/786747023.db2.gz YNLFDWDMYYYDKT-LSDHHAIUSA-N 1 1 349.431 0.307 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074369473 786778477 /nfs/dbraw/zinc/77/84/77/786778477.db2.gz WXEVRALFONFDGB-JKSUJKDBSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074369473 786778485 /nfs/dbraw/zinc/77/84/85/786778485.db2.gz WXEVRALFONFDGB-JKSUJKDBSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC001073620736 786786785 /nfs/dbraw/zinc/78/67/85/786786785.db2.gz MYPKQUMPZSJTJE-ZDUSSCGKSA-N 1 1 327.388 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOC)[C@@H]3C2)cn1 ZINC001074384525 786818275 /nfs/dbraw/zinc/81/82/75/786818275.db2.gz IEGBBOKTNBRNGS-SJORKVTESA-N 1 1 329.400 0.625 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CCOC)[C@@H]3C2)cn1 ZINC001074384525 786818281 /nfs/dbraw/zinc/81/82/81/786818281.db2.gz IEGBBOKTNBRNGS-SJORKVTESA-N 1 1 329.400 0.625 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001073632230 786822711 /nfs/dbraw/zinc/82/27/11/786822711.db2.gz YOSVUCQXXCDIAD-CQSZACIVSA-N 1 1 332.404 0.428 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001073632230 786822718 /nfs/dbraw/zinc/82/27/18/786822718.db2.gz YOSVUCQXXCDIAD-CQSZACIVSA-N 1 1 332.404 0.428 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001073636796 786836657 /nfs/dbraw/zinc/83/66/57/786836657.db2.gz HUIAJWSLCPAOIQ-ZBFHGGJFSA-N 1 1 346.431 0.383 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001073636796 786836668 /nfs/dbraw/zinc/83/66/68/786836668.db2.gz HUIAJWSLCPAOIQ-ZBFHGGJFSA-N 1 1 346.431 0.383 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001073639365 786844252 /nfs/dbraw/zinc/84/42/52/786844252.db2.gz GYEIHZJAZSOWEX-CYBMUJFWSA-N 1 1 328.376 0.197 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 ZINC001074399541 786855354 /nfs/dbraw/zinc/85/53/54/786855354.db2.gz GOWLTESSSSMEIB-CVEARBPZSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 ZINC001074399541 786855362 /nfs/dbraw/zinc/85/53/62/786855362.db2.gz GOWLTESSSSMEIB-CVEARBPZSA-N 1 1 346.431 0.662 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001073660391 786900418 /nfs/dbraw/zinc/90/04/18/786900418.db2.gz CQAFMTOJHGUMHH-SJORKVTESA-N 1 1 344.459 0.984 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001073665307 786914727 /nfs/dbraw/zinc/91/47/27/786914727.db2.gz WSOMWSQKAJCADL-CVEARBPZSA-N 1 1 330.432 0.676 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001073723239 787063758 /nfs/dbraw/zinc/06/37/58/787063758.db2.gz DMXWOKLSIQDJKI-OAHLLOKOSA-N 1 1 348.447 0.794 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001073740234 787093743 /nfs/dbraw/zinc/09/37/43/787093743.db2.gz COOFXNQZGJNSDA-NVXWUHKLSA-N 1 1 344.459 0.755 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001073744236 787105363 /nfs/dbraw/zinc/10/53/63/787105363.db2.gz KGPTZSZDRMVWMK-KBPBESRZSA-N 1 1 340.493 0.938 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)CSCC#N)[C@H](C)C1 ZINC001073745114 787108283 /nfs/dbraw/zinc/10/82/83/787108283.db2.gz VDZSUFFYHLWUQP-OCCSQVGLSA-N 1 1 349.460 0.802 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001073746210 787113330 /nfs/dbraw/zinc/11/33/30/787113330.db2.gz RYUBLRGHWPBYBW-CABCVRRESA-N 1 1 347.463 0.703 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001073749438 787125004 /nfs/dbraw/zinc/12/50/04/787125004.db2.gz ZGRJKHLHMLCFIN-KBPBESRZSA-N 1 1 331.420 0.455 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001073749438 787125012 /nfs/dbraw/zinc/12/50/12/787125012.db2.gz ZGRJKHLHMLCFIN-KBPBESRZSA-N 1 1 331.420 0.455 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001073749438 787125018 /nfs/dbraw/zinc/12/50/18/787125018.db2.gz ZGRJKHLHMLCFIN-KBPBESRZSA-N 1 1 331.420 0.455 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2ncn3C)C1 ZINC001073762713 787151458 /nfs/dbraw/zinc/15/14/58/787151458.db2.gz KXCUTFRKNNPYKF-CQSZACIVSA-N 1 1 341.415 0.812 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)C2 ZINC001073764214 787155415 /nfs/dbraw/zinc/15/54/15/787155415.db2.gz DJAVJUYICOBVFR-GDBMZVCRSA-N 1 1 331.420 0.485 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001073764873 787157333 /nfs/dbraw/zinc/15/73/33/787157333.db2.gz MPHJTVXYNDOARV-FUHWJXTLSA-N 1 1 344.459 0.984 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001073769469 787167855 /nfs/dbraw/zinc/16/78/55/787167855.db2.gz HUUSNMOURUZTOK-OWCLPIDISA-N 1 1 337.464 0.884 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cncn2C)CCCO1 ZINC001073774879 787181329 /nfs/dbraw/zinc/18/13/29/787181329.db2.gz LFRPUJHSAVVLKJ-ZACQAIPSSA-N 1 1 348.447 0.718 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cncn2C)CCCO1 ZINC001073774879 787181336 /nfs/dbraw/zinc/18/13/36/787181336.db2.gz LFRPUJHSAVVLKJ-ZACQAIPSSA-N 1 1 348.447 0.718 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074565299 787270324 /nfs/dbraw/zinc/27/03/24/787270324.db2.gz BNGRAUNTBJKIDM-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3ncccn3n2)C1 ZINC001073830672 787297715 /nfs/dbraw/zinc/29/77/15/787297715.db2.gz NDNIAJHSWQHSLN-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCC1(O)CCN(C(=O)C#CC(C)C)CC1 ZINC001074579678 787311270 /nfs/dbraw/zinc/31/12/70/787311270.db2.gz RAMVFZVFAGWATE-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001073836521 787313843 /nfs/dbraw/zinc/31/38/43/787313843.db2.gz DJGZPXMOWHDFPP-CABCVRRESA-N 1 1 349.435 0.321 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001073847934 787347397 /nfs/dbraw/zinc/34/73/97/787347397.db2.gz NUROWBFCWLRWEH-LSDHHAIUSA-N 1 1 349.431 0.848 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001073848162 787348769 /nfs/dbraw/zinc/34/87/69/787348769.db2.gz QPTSMVUNYQMNMM-ZIAGYGMSSA-N 1 1 335.408 0.246 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001073850391 787358851 /nfs/dbraw/zinc/35/88/51/787358851.db2.gz BENNFYZMRVBDEY-HNNXBMFYSA-N 1 1 343.431 0.531 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001073850391 787358864 /nfs/dbraw/zinc/35/88/64/787358864.db2.gz BENNFYZMRVBDEY-HNNXBMFYSA-N 1 1 343.431 0.531 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001073851216 787361482 /nfs/dbraw/zinc/36/14/82/787361482.db2.gz YAIANPWMPNOGND-CQSZACIVSA-N 1 1 342.403 0.264 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001073851216 787361489 /nfs/dbraw/zinc/36/14/89/787361489.db2.gz YAIANPWMPNOGND-CQSZACIVSA-N 1 1 342.403 0.264 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001073856406 787371132 /nfs/dbraw/zinc/37/11/32/787371132.db2.gz FPUXMDGPGUDLGG-GDBMZVCRSA-N 1 1 330.432 0.745 20 30 ECEDMO C=C(C)CCC(=O)N1CCC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001074609702 787385707 /nfs/dbraw/zinc/38/57/07/787385707.db2.gz YKHZQFRHGIEZSW-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001073861947 787387133 /nfs/dbraw/zinc/38/71/33/787387133.db2.gz KMRQZXPWOYCRSS-GJZGRUSLSA-N 1 1 347.415 0.295 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001073862728 787390328 /nfs/dbraw/zinc/39/03/28/787390328.db2.gz XVFYZQVBBITMBG-HNNXBMFYSA-N 1 1 346.431 0.838 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CCOC)CCCO1 ZINC001073862509 787390351 /nfs/dbraw/zinc/39/03/51/787390351.db2.gz TYIZAOMNOYEPSB-OAHLLOKOSA-N 1 1 347.415 0.561 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001073873614 787416343 /nfs/dbraw/zinc/41/63/43/787416343.db2.gz FXWJCHXYIYRNRD-CABCVRRESA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001073873614 787416349 /nfs/dbraw/zinc/41/63/49/787416349.db2.gz FXWJCHXYIYRNRD-CABCVRRESA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001073874125 787417984 /nfs/dbraw/zinc/41/79/84/787417984.db2.gz SWIZDTJSQDFZIL-LBPRGKRZSA-N 1 1 341.371 0.184 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001073874125 787417988 /nfs/dbraw/zinc/41/79/88/787417988.db2.gz SWIZDTJSQDFZIL-LBPRGKRZSA-N 1 1 341.371 0.184 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001073880881 787426006 /nfs/dbraw/zinc/42/60/06/787426006.db2.gz VYYHJVLCFIAGCV-CQSZACIVSA-N 1 1 334.420 0.567 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074635001 787464082 /nfs/dbraw/zinc/46/40/82/787464082.db2.gz UQZFGWHBMOXENF-INIZCTEOSA-N 1 1 347.459 0.354 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2noc3c2COCC3)C1 ZINC001073896293 787465132 /nfs/dbraw/zinc/46/51/32/787465132.db2.gz OUKCXKITLIWYSU-ZDUSSCGKSA-N 1 1 333.388 0.591 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2noc3c2COCC3)C1 ZINC001073896293 787465135 /nfs/dbraw/zinc/46/51/35/787465135.db2.gz OUKCXKITLIWYSU-ZDUSSCGKSA-N 1 1 333.388 0.591 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(N(C)C)cn2)C1 ZINC001073905635 787490149 /nfs/dbraw/zinc/49/01/49/787490149.db2.gz LAMBNYFCYCAIQN-MRXNPFEDSA-N 1 1 330.432 0.992 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(N(C)C)cn2)C1 ZINC001073906293 787492459 /nfs/dbraw/zinc/49/24/59/787492459.db2.gz VUSZLRCFNJPXKV-INIZCTEOSA-N 1 1 330.432 0.992 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001073908785 787497344 /nfs/dbraw/zinc/49/73/44/787497344.db2.gz WDWMDEIZBPVXHA-CQSZACIVSA-N 1 1 330.388 0.025 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001073914748 787520120 /nfs/dbraw/zinc/52/01/20/787520120.db2.gz BNGXFQLSRXIEQT-CQSZACIVSA-N 1 1 332.404 0.577 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001073962334 787592747 /nfs/dbraw/zinc/59/27/47/787592747.db2.gz CXVGIMRPOXYCQT-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074731155 787720101 /nfs/dbraw/zinc/72/01/01/787720101.db2.gz ITRYRGUYJGEPQM-GOEBONIOSA-N 1 1 347.459 0.067 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001074062443 787794209 /nfs/dbraw/zinc/79/42/09/787794209.db2.gz GGIZNKXXNXOCMI-ZFWWWQNUSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C3=NC(=O)N(C)C3)[C@H]2C)C1=O ZINC001074855626 788444826 /nfs/dbraw/zinc/44/48/26/788444826.db2.gz MSJKRWQKLJSJNP-AVGNSLFASA-N 1 1 347.419 0.105 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)C1=O ZINC001072635802 788476121 /nfs/dbraw/zinc/47/61/21/788476121.db2.gz WXWDXYOHSSADIH-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001074891808 788498497 /nfs/dbraw/zinc/49/84/97/788498497.db2.gz LFZZSMZCBNPZEM-ZFWWWQNUSA-N 1 1 334.420 0.890 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C2)c1 ZINC001072707510 788626427 /nfs/dbraw/zinc/62/64/27/788626427.db2.gz XJZRTGOVCAYTKU-WMLDXEAASA-N 1 1 342.443 0.981 20 30 ECEDMO C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC001072732764 788665643 /nfs/dbraw/zinc/66/56/43/788665643.db2.gz XCGIDOAXVDWLCC-ZDUSSCGKSA-N 1 1 329.404 0.483 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001072736123 788671874 /nfs/dbraw/zinc/67/18/74/788671874.db2.gz BYJSQBSNBMNRST-IUODEOHRSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCCOCC(=O)N[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001072739800 788680550 /nfs/dbraw/zinc/68/05/50/788680550.db2.gz QUNSRVKCHRDORL-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001074999475 788698101 /nfs/dbraw/zinc/69/81/01/788698101.db2.gz KRVCJYAZHGJDSN-ZBFHGGJFSA-N 1 1 346.431 0.727 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C2)C1 ZINC001072813496 788868147 /nfs/dbraw/zinc/86/81/47/788868147.db2.gz UGEZNXZEMCVROY-MRXNPFEDSA-N 1 1 331.464 0.924 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cnn(C)c1)C2 ZINC001072822484 788889034 /nfs/dbraw/zinc/88/90/34/788889034.db2.gz JDBZKNDDCWBPRO-KRWDZBQOSA-N 1 1 341.459 0.552 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001072903262 789076668 /nfs/dbraw/zinc/07/66/68/789076668.db2.gz WEZDDLPAXAEROD-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001072903262 789076681 /nfs/dbraw/zinc/07/66/81/789076681.db2.gz WEZDDLPAXAEROD-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CNC(=O)N4)C3)C2)s1 ZINC001072932002 789132121 /nfs/dbraw/zinc/13/21/21/789132121.db2.gz OFHLEQGDBGXEBG-ZDUSSCGKSA-N 1 1 345.428 0.335 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC001073000998 789258360 /nfs/dbraw/zinc/25/83/60/789258360.db2.gz OLHPNEUARXBIKD-CQSZACIVSA-N 1 1 328.420 0.183 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001073007003 789265327 /nfs/dbraw/zinc/26/53/27/789265327.db2.gz RNLRRNSWGQGPNF-HZPDHXFCSA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001073007003 789265331 /nfs/dbraw/zinc/26/53/31/789265331.db2.gz RNLRRNSWGQGPNF-HZPDHXFCSA-N 1 1 349.475 0.862 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(C)(NC(=O)CSCC#N)CC1 ZINC001073041256 789330210 /nfs/dbraw/zinc/33/02/10/789330210.db2.gz BQLVHFKHIDRFGH-UHFFFAOYSA-N 1 1 349.460 0.946 20 30 ECEDMO C#CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001075416250 789343982 /nfs/dbraw/zinc/34/39/82/789343982.db2.gz WJBDEPITPANNAG-FUHWJXTLSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001075416250 789343990 /nfs/dbraw/zinc/34/39/90/789343990.db2.gz WJBDEPITPANNAG-FUHWJXTLSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)C1 ZINC001073051213 789349454 /nfs/dbraw/zinc/34/94/54/789349454.db2.gz SZJLJETZQLSUBY-HZPDHXFCSA-N 1 1 328.416 0.456 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001073108649 789453969 /nfs/dbraw/zinc/45/39/69/789453969.db2.gz GKMVEUSBPSAGCM-UHFFFAOYSA-N 1 1 340.811 0.215 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001073108649 789453974 /nfs/dbraw/zinc/45/39/74/789453974.db2.gz GKMVEUSBPSAGCM-UHFFFAOYSA-N 1 1 340.811 0.215 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC001073124360 789481083 /nfs/dbraw/zinc/48/10/83/789481083.db2.gz JUWYLERCQPMJIP-UHFFFAOYSA-N 1 1 325.372 0.606 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCN(C)C2=O)C3)cn1 ZINC001073135990 789508397 /nfs/dbraw/zinc/50/83/97/789508397.db2.gz VALVFMQLBNDEEJ-INIZCTEOSA-N 1 1 338.411 0.442 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cn[nH]c4)[C@@H]3C2)C1=O ZINC001075576972 789525050 /nfs/dbraw/zinc/52/50/50/789525050.db2.gz NDJJRLWCJBDVQP-AEGPPILISA-N 1 1 329.404 0.343 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)NC)C2 ZINC001073152630 789536221 /nfs/dbraw/zinc/53/62/21/789536221.db2.gz KMBJLOVNWDEVOL-HNNXBMFYSA-N 1 1 339.439 0.879 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C2)C1 ZINC001073156231 789544717 /nfs/dbraw/zinc/54/47/17/789544717.db2.gz LGPUMNHLAVVROW-UHFFFAOYSA-N 1 1 337.383 0.902 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001075617527 789575434 /nfs/dbraw/zinc/57/54/34/789575434.db2.gz OPRAELCUHVXZEO-GVDBMIGSSA-N 1 1 338.411 0.870 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001075617527 789575437 /nfs/dbraw/zinc/57/54/37/789575437.db2.gz OPRAELCUHVXZEO-GVDBMIGSSA-N 1 1 338.411 0.870 20 30 ECEDMO CC#CC[N@@H+]1CCC2(CN(C(=O)c3c(OC)ncnc3OC)C2)C1 ZINC001073488157 789894081 /nfs/dbraw/zinc/89/40/81/789894081.db2.gz SYLGMGPVEOMCJY-UHFFFAOYSA-N 1 1 330.388 0.665 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3nccnc3C#N)C(C)(C)C2)C1 ZINC001069552563 789894407 /nfs/dbraw/zinc/89/44/07/789894407.db2.gz BPKYWDNOHFUMTR-UONOGXRCSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3nccnc3C#N)C(C)(C)C2)C1 ZINC001069552563 789894421 /nfs/dbraw/zinc/89/44/21/789894421.db2.gz BPKYWDNOHFUMTR-UONOGXRCSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](Nc3ccc(C#N)nn3)C(C)(C)C2)C1 ZINC001069572399 789908078 /nfs/dbraw/zinc/90/80/78/789908078.db2.gz VBRHNOGFGZWAAF-GXTWGEPZSA-N 1 1 328.420 0.949 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC(Nc2cncc(C#N)n2)C1 ZINC001069719469 789986740 /nfs/dbraw/zinc/98/67/40/789986740.db2.gz MCRYCTKURKSOER-UBHUBRDASA-N 1 1 330.392 0.080 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC(Nc2cncc(C#N)n2)C1 ZINC001069719469 789986743 /nfs/dbraw/zinc/98/67/43/789986743.db2.gz MCRYCTKURKSOER-UBHUBRDASA-N 1 1 330.392 0.080 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 ZINC001069815164 790049254 /nfs/dbraw/zinc/04/92/54/790049254.db2.gz XEFOVGUGEFMZER-AWEZNQCLSA-N 1 1 326.404 0.695 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 ZINC001069830830 790064699 /nfs/dbraw/zinc/06/46/99/790064699.db2.gz HPAFUUXKHUSJAJ-CZUORRHYSA-N 1 1 340.431 0.799 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@@H]3CCC[N@@H+]3CC#C)c2C1 ZINC001069863577 790118590 /nfs/dbraw/zinc/11/85/90/790118590.db2.gz ZEZKBVUNVUWWNI-KRWDZBQOSA-N 1 1 339.443 0.436 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@@H]3CCC[N@H+]3CC#C)c2C1 ZINC001069863577 790118593 /nfs/dbraw/zinc/11/85/93/790118593.db2.gz ZEZKBVUNVUWWNI-KRWDZBQOSA-N 1 1 339.443 0.436 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)c2C1 ZINC001069864362 790120049 /nfs/dbraw/zinc/12/00/49/790120049.db2.gz LZXUQSVNWXSQTQ-CVEARBPZSA-N 1 1 342.447 0.855 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)c2C1 ZINC001069883600 790150175 /nfs/dbraw/zinc/15/01/75/790150175.db2.gz RKGYZMHLKLQDNB-INIZCTEOSA-N 1 1 329.448 0.823 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001069908330 790177283 /nfs/dbraw/zinc/17/72/83/790177283.db2.gz RTOUVDRBTUIUCR-XHSDSOJGSA-N 1 1 331.420 0.602 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069921592 790192303 /nfs/dbraw/zinc/19/23/03/790192303.db2.gz PMBHXZUSFPXQAI-CABCVRRESA-N 1 1 344.423 0.511 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069947116 790226584 /nfs/dbraw/zinc/22/65/84/790226584.db2.gz LPYIXHIUMVQBIC-CABCVRRESA-N 1 1 329.408 0.090 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069947116 790226591 /nfs/dbraw/zinc/22/65/91/790226591.db2.gz LPYIXHIUMVQBIC-CABCVRRESA-N 1 1 329.408 0.090 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@@H](n2ccnn2)C1 ZINC001069948069 790227847 /nfs/dbraw/zinc/22/78/47/790227847.db2.gz DKCOJSKCXBPPFC-KGLIPLIRSA-N 1 1 340.387 0.822 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@@H](n2ccnn2)C1 ZINC001069948069 790227849 /nfs/dbraw/zinc/22/78/49/790227849.db2.gz DKCOJSKCXBPPFC-KGLIPLIRSA-N 1 1 340.387 0.822 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069954457 790236411 /nfs/dbraw/zinc/23/64/11/790236411.db2.gz CNBRVRFJYULCMC-KGLIPLIRSA-N 1 1 345.407 0.631 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069954457 790236414 /nfs/dbraw/zinc/23/64/14/790236414.db2.gz CNBRVRFJYULCMC-KGLIPLIRSA-N 1 1 345.407 0.631 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2Cl)[C@@H](n2ccnn2)C1 ZINC001069959251 790242089 /nfs/dbraw/zinc/24/20/89/790242089.db2.gz LVKMXDJBWISWCR-OLZOCXBDSA-N 1 1 347.810 0.344 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2Cl)[C@@H](n2ccnn2)C1 ZINC001069959251 790242092 /nfs/dbraw/zinc/24/20/92/790242092.db2.gz LVKMXDJBWISWCR-OLZOCXBDSA-N 1 1 347.810 0.344 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2Cl)[C@@H](n2ccnn2)C1 ZINC001069959506 790242159 /nfs/dbraw/zinc/24/21/59/790242159.db2.gz ZACJBQPUVFFQSO-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2Cl)[C@@H](n2ccnn2)C1 ZINC001069959506 790242164 /nfs/dbraw/zinc/24/21/64/790242164.db2.gz ZACJBQPUVFFQSO-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001068840242 791238359 /nfs/dbraw/zinc/23/83/59/791238359.db2.gz XKCVZPDPIAMBHE-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2 ZINC001068862705 791292654 /nfs/dbraw/zinc/29/26/54/791292654.db2.gz GWSAOLWTULUZLX-HOCLYGCPSA-N 1 1 345.443 0.370 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2 ZINC001068863237 791294768 /nfs/dbraw/zinc/29/47/68/791294768.db2.gz RUWDWXRYQLTKGK-HNNXBMFYSA-N 1 1 347.459 0.616 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068874029 791320444 /nfs/dbraw/zinc/32/04/44/791320444.db2.gz HOKKCQJOKBOZDN-HNNXBMFYSA-N 1 1 344.415 0.337 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)C[C@H](NC(=O)C[N@@H+](C)C1CCC1)CO2 ZINC001068904725 791382931 /nfs/dbraw/zinc/38/29/31/791382931.db2.gz BKDHTASNBGFWEN-STQMWFEESA-N 1 1 334.420 0.116 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001068925387 791435756 /nfs/dbraw/zinc/43/57/56/791435756.db2.gz XCVVNSHVJLSTHN-CQSZACIVSA-N 1 1 332.404 0.644 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068939720 791466337 /nfs/dbraw/zinc/46/63/37/791466337.db2.gz GQAREBKQQHEEEJ-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068941249 791472933 /nfs/dbraw/zinc/47/29/33/791472933.db2.gz XOPSCPQSQADNOV-HNNXBMFYSA-N 1 1 335.448 0.474 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2nccnc2C#N)C[C@@H]1C ZINC001069107730 791707881 /nfs/dbraw/zinc/70/78/81/791707881.db2.gz QURGAWJZZPNNJK-WCQYABFASA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](Nc2nccnc2C#N)C[C@@H]1C ZINC001069107728 791707968 /nfs/dbraw/zinc/70/79/68/791707968.db2.gz QURGAWJZZPNNJK-AAEUAGOBSA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)C[C@@H]1C ZINC001069175474 791759547 /nfs/dbraw/zinc/75/95/47/791759547.db2.gz JNCGHGHZGQBULC-WCQYABFASA-N 1 1 325.376 0.377 20 30 ECEDMO CO[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066698934 792019644 /nfs/dbraw/zinc/01/96/44/792019644.db2.gz PONCMNSTWPXZSD-ZBFHGGJFSA-N 1 1 343.431 0.711 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)CC2)C1 ZINC001066737007 792072530 /nfs/dbraw/zinc/07/25/30/792072530.db2.gz YIIIWHJOFLTHCF-NVXWUHKLSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)CC2)C1 ZINC001066737007 792072538 /nfs/dbraw/zinc/07/25/38/792072538.db2.gz YIIIWHJOFLTHCF-NVXWUHKLSA-N 1 1 343.431 0.759 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1CN(C)c1ccnc(C#N)n1 ZINC001067763258 792246024 /nfs/dbraw/zinc/24/60/24/792246024.db2.gz UCCVRPMRUHACMI-CQSZACIVSA-N 1 1 339.403 0.981 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC[C@H]1C ZINC001067961122 792507958 /nfs/dbraw/zinc/50/79/58/792507958.db2.gz NIROENRRSOSPPP-TZMCWYRMSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC[C@H]1C ZINC001067979797 792537873 /nfs/dbraw/zinc/53/78/73/792537873.db2.gz IJLNJJHYKNCWRN-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2nccnc2C#N)CC[C@@H]1C ZINC001067981251 792540257 /nfs/dbraw/zinc/54/02/57/792540257.db2.gz XPBHLKHBAKZLTO-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1c[nH]c(C#N)c1 ZINC001067078659 792671742 /nfs/dbraw/zinc/67/17/42/792671742.db2.gz JFOOSKLAPIZEBF-HNNXBMFYSA-N 1 1 347.419 0.137 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1c[nH]c(C#N)c1 ZINC001067078659 792671746 /nfs/dbraw/zinc/67/17/46/792671746.db2.gz JFOOSKLAPIZEBF-HNNXBMFYSA-N 1 1 347.419 0.137 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3cnc(C#N)cn3)CC2(C)C)C1 ZINC001068102741 792676678 /nfs/dbraw/zinc/67/66/78/792676678.db2.gz WUWRFEPYQJVOCG-KGLIPLIRSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3cnc(C#N)cn3)CC2(C)C)C1 ZINC001068102741 792676683 /nfs/dbraw/zinc/67/66/83/792676683.db2.gz WUWRFEPYQJVOCG-KGLIPLIRSA-N 1 1 344.419 0.010 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1cncc(C#N)n1 ZINC001067119197 792718570 /nfs/dbraw/zinc/71/85/70/792718570.db2.gz VHGQSHZQPAJWLB-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)ns3)C[C@H]21 ZINC001068208786 792831255 /nfs/dbraw/zinc/83/12/55/792831255.db2.gz RVVWSDHNTHNQAB-XQLPTFJDSA-N 1 1 345.472 0.743 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)ns3)C[C@H]21 ZINC001068208786 792831267 /nfs/dbraw/zinc/83/12/67/792831267.db2.gz RVVWSDHNTHNQAB-XQLPTFJDSA-N 1 1 345.472 0.743 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCCN(C)C(=O)C#CC(C)C)C1 ZINC001067362804 793040252 /nfs/dbraw/zinc/04/02/52/793040252.db2.gz BIXRWAXGGUHROT-MRXNPFEDSA-N 1 1 337.464 0.673 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCCN(C)C(=O)C#CC(C)C)C1 ZINC001067362804 793040263 /nfs/dbraw/zinc/04/02/63/793040263.db2.gz BIXRWAXGGUHROT-MRXNPFEDSA-N 1 1 337.464 0.673 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNc2ccnc(C#N)n2)C[C@H]1C ZINC001068335714 793071178 /nfs/dbraw/zinc/07/11/78/793071178.db2.gz ORYGAGPSWSQGHC-TZMCWYRMSA-N 1 1 339.403 0.624 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001068343634 793088150 /nfs/dbraw/zinc/08/81/50/793088150.db2.gz BTLKJWGSKIRCRN-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001067431507 793148001 /nfs/dbraw/zinc/14/80/01/793148001.db2.gz RMTGNKUFUMGQMJ-CVEARBPZSA-N 1 1 337.464 0.673 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068386875 793173605 /nfs/dbraw/zinc/17/36/05/793173605.db2.gz IECHNWAZWMSMRU-HNNXBMFYSA-N 1 1 333.432 0.324 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)CN(C(=O)C#CC(C)C)CCO2 ZINC001068394906 793201551 /nfs/dbraw/zinc/20/15/51/793201551.db2.gz IEIGNYBCGXWIMG-UHFFFAOYSA-N 1 1 344.415 0.291 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001068398933 793215375 /nfs/dbraw/zinc/21/53/75/793215375.db2.gz JVFPWFSKKXFSBY-JKSUJKDBSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001068403772 793230401 /nfs/dbraw/zinc/23/04/01/793230401.db2.gz WELLGGMKMNJECL-HOTGVXAUSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CCC)[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001267458986 837446142 /nfs/dbraw/zinc/44/61/42/837446142.db2.gz FVNMUCXUKJTWMU-YOEHRIQHSA-N 1 1 325.453 0.763 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001267458986 837446146 /nfs/dbraw/zinc/44/61/46/837446146.db2.gz FVNMUCXUKJTWMU-YOEHRIQHSA-N 1 1 325.453 0.763 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001267459832 837446932 /nfs/dbraw/zinc/44/69/32/837446932.db2.gz NTNWMNPFGZYTGJ-ZIAGYGMSSA-N 1 1 331.482 0.813 20 30 ECEDMO CNC(=O)NC(=O)C[N@@H+](CCCNC(=O)C#CC(C)(C)C)C(C)C ZINC001267500737 837576570 /nfs/dbraw/zinc/57/65/70/837576570.db2.gz DXPCWNHFESEQLP-UHFFFAOYSA-N 1 1 338.452 0.708 20 30 ECEDMO CCn1nncc1C[N@H+]1CC[C@H](CCNC(=O)CSCC#N)C1 ZINC001267507003 837592820 /nfs/dbraw/zinc/59/28/20/837592820.db2.gz AAKXQBVPQLGJAU-ZDUSSCGKSA-N 1 1 336.465 0.883 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccncc2F)C1 ZINC001267513508 837606803 /nfs/dbraw/zinc/60/68/03/837606803.db2.gz KOUYUYJBBTYMEG-KBPBESRZSA-N 1 1 346.406 0.800 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2cccnc2)C1 ZINC001267524725 837685480 /nfs/dbraw/zinc/68/54/80/837685480.db2.gz VSNZGJXERQMWGQ-OAHLLOKOSA-N 1 1 330.432 0.755 20 30 ECEDMO C[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)n1cccc1 ZINC001267523779 837682733 /nfs/dbraw/zinc/68/27/33/837682733.db2.gz MLZUIUMILZZXRE-GJZGRUSLSA-N 1 1 331.420 0.517 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)Cc1ccc[nH]1)c1ccccc1 ZINC001267526992 837695101 /nfs/dbraw/zinc/69/51/01/837695101.db2.gz WCCHXOISYZSMAR-QGZVFWFLSA-N 1 1 338.411 0.754 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CN2CCC(=O)NC2=O)C1 ZINC001267548333 837742442 /nfs/dbraw/zinc/74/24/42/837742442.db2.gz CWAQDBWRGDGHIB-CQSZACIVSA-N 1 1 334.420 0.265 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccccn2)C1 ZINC001267549807 837749373 /nfs/dbraw/zinc/74/93/73/837749373.db2.gz JGZXFZYLQJYRJI-GJZGRUSLSA-N 1 1 328.416 0.661 20 30 ECEDMO C#CCNC(=O)CN1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267548369 837745054 /nfs/dbraw/zinc/74/50/54/837745054.db2.gz DPJQGDPZBCCVDV-HOTGVXAUSA-N 1 1 334.464 0.000 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)/C=C\c2ccco2)C1 ZINC001267550112 837749402 /nfs/dbraw/zinc/74/94/02/837749402.db2.gz PAQCEUORPXZNIF-VQTKUKTRSA-N 1 1 330.388 0.761 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001267555022 837760014 /nfs/dbraw/zinc/76/00/14/837760014.db2.gz COIBNVJWDGONGT-HNNXBMFYSA-N 1 1 334.464 0.889 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CCNC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001267554834 837760422 /nfs/dbraw/zinc/76/04/22/837760422.db2.gz XCKGADDDKOEMHR-HOCLYGCPSA-N 1 1 345.447 0.567 20 30 ECEDMO C[N@@H+]1CCC[C@H]1CCC(=O)NCC[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267557597 837766234 /nfs/dbraw/zinc/76/62/34/837766234.db2.gz IXEZDMZWZLMLMZ-HOTGVXAUSA-N 1 1 349.479 0.329 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NCC[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267557597 837766243 /nfs/dbraw/zinc/76/62/43/837766243.db2.gz IXEZDMZWZLMLMZ-HOTGVXAUSA-N 1 1 349.479 0.329 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001267564062 837779161 /nfs/dbraw/zinc/77/91/61/837779161.db2.gz LNOFLNAKISKTKC-WMLDXEAASA-N 1 1 340.427 0.794 20 30 ECEDMO CC(C)n1ccc(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001267566532 837784228 /nfs/dbraw/zinc/78/42/28/837784228.db2.gz FWQPKTBKWNPQIN-AWEZNQCLSA-N 1 1 346.435 0.546 20 30 ECEDMO CCCN1C[C@@H](C(=O)NCC[C@@H]2CC[N@@H+](CC#CCOC)C2)CC1=O ZINC001267568667 837791603 /nfs/dbraw/zinc/79/16/03/837791603.db2.gz WICWWAMGDRXVFO-SJORKVTESA-N 1 1 349.475 0.723 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cccn2)C1 ZINC001267577754 837834697 /nfs/dbraw/zinc/83/46/97/837834697.db2.gz DRKMBUYVJXDYSK-CVEARBPZSA-N 1 1 347.463 0.744 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1ccc[nH]1 ZINC001266247757 835554716 /nfs/dbraw/zinc/55/47/16/835554716.db2.gz VHZPIELKQGVGFY-INIZCTEOSA-N 1 1 330.432 0.667 20 30 ECEDMO C=CCN1CC[C@@H](N2CC[NH+](CCCNC(=O)C=C(C)C)CC2)C1=O ZINC001266256868 835563626 /nfs/dbraw/zinc/56/36/26/835563626.db2.gz LZQRNFDPLSTESL-QGZVFWFLSA-N 1 1 348.491 0.863 20 30 ECEDMO C=CCN1CC[C@H](N2CC[NH+](CCCNC(=O)C=C(C)C)CC2)C1=O ZINC001266256867 835564128 /nfs/dbraw/zinc/56/41/28/835564128.db2.gz LZQRNFDPLSTESL-KRWDZBQOSA-N 1 1 348.491 0.863 20 30 ECEDMO CCn1ncnc1CN1CC[NH+](CCCNC(=O)[C@H](C)C#N)CC1 ZINC001266259516 835568687 /nfs/dbraw/zinc/56/86/87/835568687.db2.gz GPWRPLQRCQCIAP-CQSZACIVSA-N 1 1 333.440 0.082 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)CCc2ccc(=O)[nH]c2)CC1 ZINC001266290094 835634293 /nfs/dbraw/zinc/63/42/93/835634293.db2.gz NDNTVPVGRHSAGX-UHFFFAOYSA-N 1 1 330.432 0.477 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001266294717 835641054 /nfs/dbraw/zinc/64/10/54/835641054.db2.gz IQOVPWPYMWAJAP-UHFFFAOYSA-N 1 1 327.388 0.249 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn2ccc(C)cc2n1 ZINC001266295531 835642656 /nfs/dbraw/zinc/64/26/56/835642656.db2.gz OKNXIHWTPBUMAC-AWEZNQCLSA-N 1 1 341.415 0.442 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn2ccc(C)cc2n1 ZINC001266295531 835642660 /nfs/dbraw/zinc/64/26/60/835642660.db2.gz OKNXIHWTPBUMAC-AWEZNQCLSA-N 1 1 341.415 0.442 20 30 ECEDMO C=CCC[NH+]1CCN(CCNC(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC001266297430 835646960 /nfs/dbraw/zinc/64/69/60/835646960.db2.gz QPCBEWOXSPELIW-UHFFFAOYSA-N 1 1 345.509 0.510 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc2n[nH]cc2c1 ZINC001266297582 835647831 /nfs/dbraw/zinc/64/78/31/835647831.db2.gz OWVVQQIVFQDYHA-ZDUSSCGKSA-N 1 1 341.415 0.291 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1ccc2n[nH]cc2c1 ZINC001266297582 835647833 /nfs/dbraw/zinc/64/78/33/835647833.db2.gz OWVVQQIVFQDYHA-ZDUSSCGKSA-N 1 1 341.415 0.291 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001266305172 835668663 /nfs/dbraw/zinc/66/86/63/835668663.db2.gz LKXXQGPBDPCEAT-INIZCTEOSA-N 1 1 347.463 0.807 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001266305172 835668667 /nfs/dbraw/zinc/66/86/67/835668667.db2.gz LKXXQGPBDPCEAT-INIZCTEOSA-N 1 1 347.463 0.807 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266308596 835674552 /nfs/dbraw/zinc/67/45/52/835674552.db2.gz YLXFBRTYFISKRD-HOTGVXAUSA-N 1 1 334.464 0.472 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001266317120 835685893 /nfs/dbraw/zinc/68/58/93/835685893.db2.gz MCTXYPXSZOKXMO-ZIAGYGMSSA-N 1 1 348.451 0.432 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001266317120 835685895 /nfs/dbraw/zinc/68/58/95/835685895.db2.gz MCTXYPXSZOKXMO-ZIAGYGMSSA-N 1 1 348.451 0.432 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ncccc2NC(C)=O)C1 ZINC001266323248 835698602 /nfs/dbraw/zinc/69/86/02/835698602.db2.gz XWAWXTYQAAEMKN-AWEZNQCLSA-N 1 1 330.388 0.494 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ncccc2NC(C)=O)C1 ZINC001266323248 835698610 /nfs/dbraw/zinc/69/86/10/835698610.db2.gz XWAWXTYQAAEMKN-AWEZNQCLSA-N 1 1 330.388 0.494 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccnc(OC)c2)C1 ZINC001266328024 835709329 /nfs/dbraw/zinc/70/93/29/835709329.db2.gz RAEFXJWARLLEME-GXTWGEPZSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccnc(OC)c2)C1 ZINC001266328024 835709339 /nfs/dbraw/zinc/70/93/39/835709339.db2.gz RAEFXJWARLLEME-GXTWGEPZSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001266333668 835716314 /nfs/dbraw/zinc/71/63/14/835716314.db2.gz RQCOTZKXZWAOGI-HUUCEWRRSA-N 1 1 347.463 0.461 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001266333668 835716318 /nfs/dbraw/zinc/71/63/18/835716318.db2.gz RQCOTZKXZWAOGI-HUUCEWRRSA-N 1 1 347.463 0.461 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnn2ccccc12 ZINC001266340342 835725489 /nfs/dbraw/zinc/72/54/89/835725489.db2.gz TVMJDNLSIREMTC-CYBMUJFWSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn2ccccc12 ZINC001266340342 835725497 /nfs/dbraw/zinc/72/54/97/835725497.db2.gz TVMJDNLSIREMTC-CYBMUJFWSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+](CCNC(=O)CC#Cc1ccccc1)[C@H]1CCC(=O)NC1=O ZINC001266362399 835774419 /nfs/dbraw/zinc/77/44/19/835774419.db2.gz GZYNJLGCURIUTQ-HNNXBMFYSA-N 1 1 327.384 0.281 20 30 ECEDMO C[N@@H+](CCNC(=O)CC#Cc1ccccc1)[C@H]1CCC(=O)NC1=O ZINC001266362399 835774429 /nfs/dbraw/zinc/77/44/29/835774429.db2.gz GZYNJLGCURIUTQ-HNNXBMFYSA-N 1 1 327.384 0.281 20 30 ECEDMO CC[N@@H+](CCNC(=O)CSCC#N)[C@H]1CCN(C2CCC2)C1=O ZINC001266378126 835790896 /nfs/dbraw/zinc/79/08/96/835790896.db2.gz QNQKBTBIOYJALJ-AWEZNQCLSA-N 1 1 338.477 0.835 20 30 ECEDMO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)CCN1C(=O)c2ccccc2C1=O ZINC001266380053 835791726 /nfs/dbraw/zinc/79/17/26/835791726.db2.gz GKQFVZKTAQEIKQ-ZDUSSCGKSA-N 1 1 342.399 0.880 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC001266448167 835851766 /nfs/dbraw/zinc/85/17/66/835851766.db2.gz HSNOHHBLVJHECZ-HNNXBMFYSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC001266448973 835853493 /nfs/dbraw/zinc/85/34/93/835853493.db2.gz WZVZJVKDPIINFS-CVEARBPZSA-N 1 1 345.447 0.364 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001266451198 835855068 /nfs/dbraw/zinc/85/50/68/835855068.db2.gz BERANPKISXGCSG-AIANPOQGSA-N 1 1 332.448 0.843 20 30 ECEDMO C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC001266459156 835861749 /nfs/dbraw/zinc/86/17/49/835861749.db2.gz KTRJYCQPEDLKDN-HNNXBMFYSA-N 1 1 328.478 0.861 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC001266459156 835861754 /nfs/dbraw/zinc/86/17/54/835861754.db2.gz KTRJYCQPEDLKDN-HNNXBMFYSA-N 1 1 328.478 0.861 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001266461937 835864474 /nfs/dbraw/zinc/86/44/74/835864474.db2.gz ZPLVABXDLPACPX-UKRRQHHQSA-N 1 1 348.447 0.603 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001266461937 835864479 /nfs/dbraw/zinc/86/44/79/835864479.db2.gz ZPLVABXDLPACPX-UKRRQHHQSA-N 1 1 348.447 0.603 20 30 ECEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1CCCN1C(=O)CNC1=O ZINC001266464582 835865317 /nfs/dbraw/zinc/86/53/17/835865317.db2.gz CYEJKRPDQHDQFH-CQSZACIVSA-N 1 1 336.436 0.865 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 ZINC001266469446 835871049 /nfs/dbraw/zinc/87/10/49/835871049.db2.gz LRWABIUKYWZTQW-INIZCTEOSA-N 1 1 345.447 0.262 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccn(C)c1CC ZINC001266482584 835882214 /nfs/dbraw/zinc/88/22/14/835882214.db2.gz DRUCZVUKLCUWGA-GJZGRUSLSA-N 1 1 344.459 0.920 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(C)c1CC ZINC001266482584 835882219 /nfs/dbraw/zinc/88/22/19/835882219.db2.gz DRUCZVUKLCUWGA-GJZGRUSLSA-N 1 1 344.459 0.920 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001266488294 835888057 /nfs/dbraw/zinc/88/80/57/835888057.db2.gz GSFKGLJULNLBBL-AWEZNQCLSA-N 1 1 328.416 0.447 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001266488294 835888063 /nfs/dbraw/zinc/88/80/63/835888063.db2.gz GSFKGLJULNLBBL-AWEZNQCLSA-N 1 1 328.416 0.447 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC ZINC001266492303 835891845 /nfs/dbraw/zinc/89/18/45/835891845.db2.gz MSXDADSYQGMRGD-RHSMWYFYSA-N 1 1 327.428 0.926 20 30 ECEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCS(N)(=O)=O ZINC001266494182 835894409 /nfs/dbraw/zinc/89/44/09/835894409.db2.gz LVUDKBCZSQYPLP-OKILXGFUSA-N 1 1 329.466 0.697 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1c(C)noc1C ZINC001266495642 835895724 /nfs/dbraw/zinc/89/57/24/835895724.db2.gz QHZXWQYCSQIYDH-AWEZNQCLSA-N 1 1 334.420 0.717 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(C)noc1C ZINC001266495642 835895727 /nfs/dbraw/zinc/89/57/27/835895727.db2.gz QHZXWQYCSQIYDH-AWEZNQCLSA-N 1 1 334.420 0.717 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C(=O)N2CCN(CC#N)CC2)C1 ZINC001266504408 835905241 /nfs/dbraw/zinc/90/52/41/835905241.db2.gz BDYMQZFZVPPRRY-MRXNPFEDSA-N 1 1 349.479 0.233 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001266505717 835906652 /nfs/dbraw/zinc/90/66/52/835906652.db2.gz PDLPYGDJMVTCOY-CYBMUJFWSA-N 1 1 336.388 0.789 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001266505717 835906657 /nfs/dbraw/zinc/90/66/57/835906657.db2.gz PDLPYGDJMVTCOY-CYBMUJFWSA-N 1 1 336.388 0.789 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC001266508152 835911955 /nfs/dbraw/zinc/91/19/55/835911955.db2.gz GJSTUSCPYSYQCL-INIZCTEOSA-N 1 1 347.459 0.972 20 30 ECEDMO CC(C)n1nccc1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266513988 835924543 /nfs/dbraw/zinc/92/45/43/835924543.db2.gz JXPJFJKKMPUQNK-ZDUSSCGKSA-N 1 1 332.408 0.155 20 30 ECEDMO CC(C)n1nccc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266513988 835924546 /nfs/dbraw/zinc/92/45/46/835924546.db2.gz JXPJFJKKMPUQNK-ZDUSSCGKSA-N 1 1 332.408 0.155 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2cn(CC3CC3)nn2)C1 ZINC001266514614 835925857 /nfs/dbraw/zinc/92/58/57/835925857.db2.gz SVEYJIQEFJTWEM-ZBFHGGJFSA-N 1 1 345.447 0.665 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cn(CC3CC3)nn2)C1 ZINC001266514614 835925864 /nfs/dbraw/zinc/92/58/64/835925864.db2.gz SVEYJIQEFJTWEM-ZBFHGGJFSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2(COC)CCCC2)C1 ZINC001266517098 835927563 /nfs/dbraw/zinc/92/75/63/835927563.db2.gz GGHYXXMVEMHUBG-OAHLLOKOSA-N 1 1 337.464 0.934 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC001266523131 835938572 /nfs/dbraw/zinc/93/85/72/835938572.db2.gz HFKRVGPQHUWFTB-KBPBESRZSA-N 1 1 344.415 0.280 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnc(Cl)n2C)C1 ZINC001266523844 835939275 /nfs/dbraw/zinc/93/92/75/835939275.db2.gz WIJWULQJSDAKQY-NSHDSACASA-N 1 1 339.827 0.427 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001266533799 835951583 /nfs/dbraw/zinc/95/15/83/835951583.db2.gz QTCKLSWGTJVFBD-AWEZNQCLSA-N 1 1 348.447 0.793 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(COC)on2)C1 ZINC001266537711 835956450 /nfs/dbraw/zinc/95/64/50/835956450.db2.gz QYSPZGZLRUUGOI-QWHCGFSZSA-N 1 1 348.403 0.011 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCC)CCNC(=O)c2cccnn2)C1=O ZINC001266575220 836005767 /nfs/dbraw/zinc/00/57/67/836005767.db2.gz IARFXMAZOWIFHP-HNNXBMFYSA-N 1 1 331.420 0.705 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@H]1OCC[C@H]1CC)C1CC1 ZINC001266596592 836028277 /nfs/dbraw/zinc/02/82/77/836028277.db2.gz KFIOSAZSWZFUJM-LZWOXQAQSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@H]1OCC[C@H]1CC)C1CC1 ZINC001266596592 836028289 /nfs/dbraw/zinc/02/82/89/836028289.db2.gz KFIOSAZSWZFUJM-LZWOXQAQSA-N 1 1 335.448 0.520 20 30 ECEDMO C#Cc1cncc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](O)COC)c1 ZINC001266651649 836087104 /nfs/dbraw/zinc/08/71/04/836087104.db2.gz GDJYMDIFBGDQTF-FBVQUNGASA-N 1 1 343.427 0.795 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnco2)C1 ZINC001266660247 836097004 /nfs/dbraw/zinc/09/70/04/836097004.db2.gz VPFIDXTXGZMMMR-CHWSQXEVSA-N 1 1 331.376 0.241 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnco2)C1 ZINC001266660247 836097015 /nfs/dbraw/zinc/09/70/15/836097015.db2.gz VPFIDXTXGZMMMR-CHWSQXEVSA-N 1 1 331.376 0.241 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COCc2nncn2C)C1 ZINC001266664241 836101481 /nfs/dbraw/zinc/10/14/81/836101481.db2.gz YICVZTIVDHEKFS-HUUCEWRRSA-N 1 1 333.436 0.831 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)NC(=O)CC)C1 ZINC001279490183 836199510 /nfs/dbraw/zinc/19/95/10/836199510.db2.gz KGGCVOSLXNKICB-WMLDXEAASA-N 1 1 325.453 0.810 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cnns2)C1 ZINC001266740002 836222682 /nfs/dbraw/zinc/22/26/82/836222682.db2.gz ICDQNMFSZNGLHZ-NEPJUHHUSA-N 1 1 335.433 0.118 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001266746070 836232100 /nfs/dbraw/zinc/23/21/00/836232100.db2.gz BOOGHJRFFJUBKU-KBXCAEBGSA-N 1 1 335.448 0.115 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001266746727 836233815 /nfs/dbraw/zinc/23/38/15/836233815.db2.gz ILDFVUNSZWQVFX-CQSZACIVSA-N 1 1 331.420 0.529 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)CCCNC(=O)C2CC2)C1 ZINC001266751071 836242462 /nfs/dbraw/zinc/24/24/62/836242462.db2.gz BGFWCBZKXGOVOO-INIZCTEOSA-N 1 1 349.475 0.771 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001266755290 836249437 /nfs/dbraw/zinc/24/94/37/836249437.db2.gz ORWFZVCHXUDNGP-QWHCGFSZSA-N 1 1 334.395 0.734 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001266755908 836252095 /nfs/dbraw/zinc/25/20/95/836252095.db2.gz VUZVMCACGIAYKW-BPUTZDHNSA-N 1 1 332.448 0.891 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001266755908 836252098 /nfs/dbraw/zinc/25/20/98/836252098.db2.gz VUZVMCACGIAYKW-BPUTZDHNSA-N 1 1 332.448 0.891 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)Cn2nccc2C)C1 ZINC001266764555 836267205 /nfs/dbraw/zinc/26/72/05/836267205.db2.gz RZHJLYNTPQHUAM-HOTGVXAUSA-N 1 1 347.463 0.710 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N[C@H]3CCCC[C@@H]3C)C[C@H]21 ZINC001266899268 836452638 /nfs/dbraw/zinc/45/26/38/836452638.db2.gz QUTYZNYIUYTMNT-KSPMYQCISA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N[C@H]3CCCC[C@@H]3C)C[C@H]21 ZINC001266899268 836452644 /nfs/dbraw/zinc/45/26/44/836452644.db2.gz QUTYZNYIUYTMNT-KSPMYQCISA-N 1 1 349.475 0.930 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266901033 836453798 /nfs/dbraw/zinc/45/37/98/836453798.db2.gz IIUNMSZKWHYZLW-ZOFXXKQRSA-N 1 1 346.475 0.044 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266901033 836453802 /nfs/dbraw/zinc/45/38/02/836453802.db2.gz IIUNMSZKWHYZLW-ZOFXXKQRSA-N 1 1 346.475 0.044 20 30 ECEDMO COCC#CC[NH2+]CCN(C)C(=O)c1n[nH]cc1Br ZINC001266901860 836456018 /nfs/dbraw/zinc/45/60/18/836456018.db2.gz VATVCYOROJBDSL-UHFFFAOYSA-N 1 1 329.198 0.484 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001266903129 836458535 /nfs/dbraw/zinc/45/85/35/836458535.db2.gz SXNYIOGMXNGUFZ-LFRCEIEQSA-N 1 1 349.475 0.882 20 30 ECEDMO CC(C)(C(=O)NC1CCC([NH2+]CC(=O)NCC#N)CC1)c1cnc[nH]1 ZINC001266915123 836474227 /nfs/dbraw/zinc/47/42/27/836474227.db2.gz AHBNEEBNAKMZLC-UHFFFAOYSA-N 1 1 346.435 0.344 20 30 ECEDMO CCc1ocnc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267102546 836775095 /nfs/dbraw/zinc/77/50/95/836775095.db2.gz HUZGYNUBSQPZPN-GFCCVEGCSA-N 1 1 333.392 0.413 20 30 ECEDMO CCc1ocnc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267102546 836775102 /nfs/dbraw/zinc/77/51/02/836775102.db2.gz HUZGYNUBSQPZPN-GFCCVEGCSA-N 1 1 333.392 0.413 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cncc2C)C1 ZINC001267107514 836790013 /nfs/dbraw/zinc/79/00/13/836790013.db2.gz DYGVFBODKWBLMS-CVEARBPZSA-N 1 1 345.447 0.252 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001267107881 836791389 /nfs/dbraw/zinc/79/13/89/836791389.db2.gz KLMGUEVHAPKBEZ-MRXNPFEDSA-N 1 1 328.416 0.792 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001267107881 836791398 /nfs/dbraw/zinc/79/13/98/836791398.db2.gz KLMGUEVHAPKBEZ-MRXNPFEDSA-N 1 1 328.416 0.792 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cscn1 ZINC001267159926 836870066 /nfs/dbraw/zinc/87/00/66/836870066.db2.gz BLRQQATVZTYLFV-LBPRGKRZSA-N 1 1 335.433 0.757 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CCc1nnc[nH]1 ZINC001267162073 836878457 /nfs/dbraw/zinc/87/84/57/836878457.db2.gz APONTDYPMHFWFH-OAHLLOKOSA-N 1 1 333.436 0.748 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CCc1nc[nH]n1 ZINC001267162073 836878467 /nfs/dbraw/zinc/87/84/67/836878467.db2.gz APONTDYPMHFWFH-OAHLLOKOSA-N 1 1 333.436 0.748 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CCc1nc[nH]n1 ZINC001267162073 836878471 /nfs/dbraw/zinc/87/84/71/836878471.db2.gz APONTDYPMHFWFH-OAHLLOKOSA-N 1 1 333.436 0.748 20 30 ECEDMO COCC#CC[N@@H+]1CC=C(CNC(=O)c2cc(OC)n(C)n2)CC1 ZINC001279599859 836983593 /nfs/dbraw/zinc/98/35/93/836983593.db2.gz HAPGXAXDXNDBNF-UHFFFAOYSA-N 1 1 332.404 0.440 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001267206745 836989115 /nfs/dbraw/zinc/98/91/15/836989115.db2.gz NOKXVVLESUIDGA-ZDUSSCGKSA-N 1 1 341.415 0.671 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001267206745 836989123 /nfs/dbraw/zinc/98/91/23/836989123.db2.gz NOKXVVLESUIDGA-ZDUSSCGKSA-N 1 1 341.415 0.671 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)Cn1nc(C)c2cccnc21 ZINC001267209706 836995713 /nfs/dbraw/zinc/99/57/13/836995713.db2.gz JJXHWCOBUCJRPO-UHFFFAOYSA-N 1 1 329.404 0.438 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc2nnn(C)c2c1 ZINC001267227075 837028466 /nfs/dbraw/zinc/02/84/66/837028466.db2.gz BIGBAPWDZOIQMY-LBPRGKRZSA-N 1 1 344.419 0.321 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2nnn(C)c2c1 ZINC001267227075 837028475 /nfs/dbraw/zinc/02/84/75/837028475.db2.gz BIGBAPWDZOIQMY-LBPRGKRZSA-N 1 1 344.419 0.321 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(NC(C)=O)c1 ZINC001267229812 837031553 /nfs/dbraw/zinc/03/15/53/837031553.db2.gz DUDKUQGJBGYJBY-CYBMUJFWSA-N 1 1 344.415 0.445 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(NC(C)=O)c1 ZINC001267229812 837031559 /nfs/dbraw/zinc/03/15/59/837031559.db2.gz DUDKUQGJBGYJBY-CYBMUJFWSA-N 1 1 344.415 0.445 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCC[N@@H+](C)Cc1cnc(C)nc1 ZINC001267233792 837040142 /nfs/dbraw/zinc/04/01/42/837040142.db2.gz XQHQPXKYBNNEDV-UHFFFAOYSA-N 1 1 348.451 0.597 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCC[N@H+](C)Cc1cnc(C)nc1 ZINC001267233792 837040155 /nfs/dbraw/zinc/04/01/55/837040155.db2.gz XQHQPXKYBNNEDV-UHFFFAOYSA-N 1 1 348.451 0.597 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@@H+](CC)CC(=O)N1CCC[C@@H](C)C1 ZINC001267241099 837049495 /nfs/dbraw/zinc/04/94/95/837049495.db2.gz JYWBZLNAUZQOHE-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@H+](CC)CC(=O)N1CCC[C@@H](C)C1 ZINC001267241099 837049505 /nfs/dbraw/zinc/04/95/05/837049505.db2.gz JYWBZLNAUZQOHE-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cccc(-n2cnnn2)c1 ZINC001267256288 837080206 /nfs/dbraw/zinc/08/02/06/837080206.db2.gz QBNVUNXPBBOABR-UHFFFAOYSA-N 1 1 342.403 0.364 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)CC(N)=O)cc1 ZINC001267264189 837098753 /nfs/dbraw/zinc/09/87/53/837098753.db2.gz QOJSMKSDYUINDC-AWEZNQCLSA-N 1 1 330.388 0.545 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn2ccncc12 ZINC001267268855 837107060 /nfs/dbraw/zinc/10/70/60/837107060.db2.gz HDEHLYIHMHTEFU-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn2ccncc12 ZINC001267268855 837107063 /nfs/dbraw/zinc/10/70/63/837107063.db2.gz HDEHLYIHMHTEFU-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1nccn2ccnc12 ZINC001267275701 837118597 /nfs/dbraw/zinc/11/85/97/837118597.db2.gz IDOPRFNIFVTXQD-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1nccn2ccnc12 ZINC001267275701 837118606 /nfs/dbraw/zinc/11/86/06/837118606.db2.gz IDOPRFNIFVTXQD-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001267278668 837123231 /nfs/dbraw/zinc/12/32/31/837123231.db2.gz ODQARYNAVCKOPN-AWEZNQCLSA-N 1 1 346.435 0.210 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001267278668 837123235 /nfs/dbraw/zinc/12/32/35/837123235.db2.gz ODQARYNAVCKOPN-AWEZNQCLSA-N 1 1 346.435 0.210 20 30 ECEDMO N#CCSCC(=O)NC[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267290504 837141157 /nfs/dbraw/zinc/14/11/57/837141157.db2.gz ZNISXVGFCKQALL-OLZOCXBDSA-N 1 1 345.490 0.116 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cn2nc(C)cc2C)C1 ZINC001267297774 837160950 /nfs/dbraw/zinc/16/09/50/837160950.db2.gz JTEAZXDMDOEVIE-CVEARBPZSA-N 1 1 347.463 0.629 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267299758 837162660 /nfs/dbraw/zinc/16/26/60/837162660.db2.gz ZQCDSKIQPKCQPY-LSDHHAIUSA-N 1 1 344.477 0.452 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C)nn2CC)C1 ZINC001267302951 837169604 /nfs/dbraw/zinc/16/96/04/837169604.db2.gz JBCIRIFWIJQXGE-GJZGRUSLSA-N 1 1 345.447 0.401 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ncoc2C(C)C)C1 ZINC001267306187 837176685 /nfs/dbraw/zinc/17/66/85/837176685.db2.gz FLRMMDIMTFZBRO-ZDUSSCGKSA-N 1 1 332.404 0.599 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)c1cn(C)nc1C ZINC001267311948 837186011 /nfs/dbraw/zinc/18/60/11/837186011.db2.gz KLOSROOAVOSEIT-CQSZACIVSA-N 1 1 333.436 0.308 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCC)Cc1nc(C)no1 ZINC001267315577 837190626 /nfs/dbraw/zinc/19/06/26/837190626.db2.gz OICYPQINVYBSJX-HNNXBMFYSA-N 1 1 333.436 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCC)Cc1nc(C)no1 ZINC001267315577 837190637 /nfs/dbraw/zinc/19/06/37/837190637.db2.gz OICYPQINVYBSJX-HNNXBMFYSA-N 1 1 333.436 0.804 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1noc2c1CCCC2 ZINC001267317806 837193549 /nfs/dbraw/zinc/19/35/49/837193549.db2.gz MENIHQYIUJCFKK-UHFFFAOYSA-N 1 1 346.431 0.745 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1noc2c1CCCC2 ZINC001267317806 837193556 /nfs/dbraw/zinc/19/35/56/837193556.db2.gz MENIHQYIUJCFKK-UHFFFAOYSA-N 1 1 346.431 0.745 20 30 ECEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001267318164 837195347 /nfs/dbraw/zinc/19/53/47/837195347.db2.gz SMMGXYCMANITOK-UHFFFAOYSA-N 1 1 332.408 0.295 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1c[nH]c2ncccc12)CC(=O)NCC#N ZINC001267320803 837197801 /nfs/dbraw/zinc/19/78/01/837197801.db2.gz WZUBWAOONZOZPU-UHFFFAOYSA-N 1 1 342.403 0.644 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1c[nH]c2ncccc12)CC(=O)NCC#N ZINC001267320803 837197803 /nfs/dbraw/zinc/19/78/03/837197803.db2.gz WZUBWAOONZOZPU-UHFFFAOYSA-N 1 1 342.403 0.644 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CCC)[C@@H](C)C(=O)N(C)C)cn1 ZINC001267319969 837198213 /nfs/dbraw/zinc/19/82/13/837198213.db2.gz VNPPGPASQIIDOK-AWEZNQCLSA-N 1 1 330.432 0.981 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C[C@H]1CCNC(=O)CC1)C1CC1 ZINC001267325245 837202208 /nfs/dbraw/zinc/20/22/08/837202208.db2.gz DSUVTRAXXALTDK-RDTXWAMCSA-N 1 1 337.464 0.810 20 30 ECEDMO C#CCCCC(=O)NC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001267357624 837245970 /nfs/dbraw/zinc/24/59/70/837245970.db2.gz QIHMCUMWYQJSBO-HIFRSBDPSA-N 1 1 344.415 0.820 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cnc(C)s2)C1 ZINC001267577612 837835114 /nfs/dbraw/zinc/83/51/14/837835114.db2.gz CGKZRFABRLKWOZ-TZMCWYRMSA-N 1 1 348.472 0.983 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cnc(C)s2)C1 ZINC001267577606 837835849 /nfs/dbraw/zinc/83/58/49/837835849.db2.gz CGKZRFABRLKWOZ-GXTWGEPZSA-N 1 1 348.472 0.983 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC001267580583 837842118 /nfs/dbraw/zinc/84/21/18/837842118.db2.gz ZETVOKWPBIKVPP-LLVKDONJSA-N 1 1 328.363 0.452 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001267582042 837847624 /nfs/dbraw/zinc/84/76/24/837847624.db2.gz VFURRUWPVTXOIM-UONOGXRCSA-N 1 1 341.415 0.418 20 30 ECEDMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001267583027 837850438 /nfs/dbraw/zinc/85/04/38/837850438.db2.gz NBXLQUSETIHGQD-STQMWFEESA-N 1 1 336.436 0.400 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)nc2CC)C1 ZINC001267584561 837857230 /nfs/dbraw/zinc/85/72/30/837857230.db2.gz GAJPIXKKKHWIGU-AWEZNQCLSA-N 1 1 345.447 0.126 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001267585318 837859513 /nfs/dbraw/zinc/85/95/13/837859513.db2.gz SKLDJDOZHRBWFR-SWKXRBFHSA-N 1 1 332.448 0.987 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 ZINC001267585067 837860181 /nfs/dbraw/zinc/86/01/81/837860181.db2.gz NTQQQDHMNPXDIK-HNNXBMFYSA-N 1 1 335.448 0.285 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(C)nc2OC)C1 ZINC001267586864 837866273 /nfs/dbraw/zinc/86/62/73/837866273.db2.gz BBTDUOCAZARGAA-CQSZACIVSA-N 1 1 334.420 0.472 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267587293 837867806 /nfs/dbraw/zinc/86/78/06/837867806.db2.gz KWKLYDPKGICTRY-CYBMUJFWSA-N 1 1 325.376 0.084 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001267588808 837871199 /nfs/dbraw/zinc/87/11/99/837871199.db2.gz JPPUYSKPAQESSF-MAUKXSAKSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267589021 837873807 /nfs/dbraw/zinc/87/38/07/837873807.db2.gz HCBREOCCPFADBF-CQSZACIVSA-N 1 1 329.466 0.072 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1)C(C)(F)F ZINC001267589722 837875546 /nfs/dbraw/zinc/87/55/46/837875546.db2.gz LTVVSOPROOLGOD-NWDGAFQWSA-N 1 1 330.379 0.698 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001267591097 837880047 /nfs/dbraw/zinc/88/00/47/837880047.db2.gz AHIKOBFIKSYHNF-AWEZNQCLSA-N 1 1 342.403 0.168 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC001267591780 837883516 /nfs/dbraw/zinc/88/35/16/837883516.db2.gz JAWYNQZWLDLBGP-GJZGRUSLSA-N 1 1 331.416 0.740 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 ZINC001267597038 837902351 /nfs/dbraw/zinc/90/23/51/837902351.db2.gz RTCMPXNKZPBPLU-MRXNPFEDSA-N 1 1 335.448 0.429 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC001267598412 837906429 /nfs/dbraw/zinc/90/64/29/837906429.db2.gz CSXLBRFIIHGTOH-HNNXBMFYSA-N 1 1 336.436 0.223 20 30 ECEDMO CCO[C@@H]1C[C@H]1C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267598241 837907368 /nfs/dbraw/zinc/90/73/68/837907368.db2.gz XVBWKHCNSDFLNZ-HUUCEWRRSA-N 1 1 336.436 0.222 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)Cc2nnc(C)[nH]2)CC1 ZINC001267599444 837912450 /nfs/dbraw/zinc/91/24/50/837912450.db2.gz PGHGGDKYRNWFRI-UHFFFAOYSA-N 1 1 348.451 0.128 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CCNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001267602209 837926007 /nfs/dbraw/zinc/92/60/07/837926007.db2.gz XCOZGLJQHLWJJB-GFCCVEGCSA-N 1 1 325.372 0.805 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001267604948 837938714 /nfs/dbraw/zinc/93/87/14/837938714.db2.gz IRMKFQFPAGFALH-ZDUSSCGKSA-N 1 1 326.441 0.071 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)C1 ZINC001267622174 838064274 /nfs/dbraw/zinc/06/42/74/838064274.db2.gz PAKDDAINNXYBCJ-CABCVRRESA-N 1 1 335.452 0.081 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001267658392 838173493 /nfs/dbraw/zinc/17/34/93/838173493.db2.gz NRCKMAAMXXTMDY-CHWSQXEVSA-N 1 1 327.375 0.561 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)ncn2C)C1 ZINC001267659201 838178273 /nfs/dbraw/zinc/17/82/73/838178273.db2.gz XAYWFFJVEZXOOC-LSDHHAIUSA-N 1 1 347.463 0.813 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001267667137 838195132 /nfs/dbraw/zinc/19/51/32/838195132.db2.gz ZVCQCNDTGZSSQL-CQSZACIVSA-N 1 1 341.415 0.748 20 30 ECEDMO CCS(=O)(=O)NCC(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001267683329 838243869 /nfs/dbraw/zinc/24/38/69/838243869.db2.gz ROUQKXUAAHPWLE-UHFFFAOYSA-N 1 1 349.456 0.025 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cc2ccc(CC)cn2)C1 ZINC001267693666 838278389 /nfs/dbraw/zinc/27/83/89/838278389.db2.gz NCNGIYVFNIIIDT-CQSZACIVSA-N 1 1 344.459 0.925 20 30 ECEDMO CCc1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C2)n(C)n1 ZINC001267696221 838284721 /nfs/dbraw/zinc/28/47/21/838284721.db2.gz CWTPBRFWWOZUCQ-CYBMUJFWSA-N 1 1 346.435 0.016 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn3cc[nH]c23)C1 ZINC001267703534 838306262 /nfs/dbraw/zinc/30/62/62/838306262.db2.gz QCDXEOOTLYOPLG-AWEZNQCLSA-N 1 1 329.404 0.706 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)C[C@H](O)COC)C2)cn1 ZINC001267703917 838307444 /nfs/dbraw/zinc/30/74/44/838307444.db2.gz YWEQZXDXCHYLDR-PBHICJAKSA-N 1 1 331.416 0.464 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccnc2C(N)=O)C1 ZINC001267707647 838311128 /nfs/dbraw/zinc/31/11/28/838311128.db2.gz DEMMMUYSNSJKSB-AWEZNQCLSA-N 1 1 344.415 0.224 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COCCOC ZINC001267711522 838327721 /nfs/dbraw/zinc/32/77/21/838327721.db2.gz ZLRPZIWJKSDDTF-SOUVJXGZSA-N 1 1 326.437 0.508 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)COCCOC ZINC001267711522 838327727 /nfs/dbraw/zinc/32/77/27/838327727.db2.gz ZLRPZIWJKSDDTF-SOUVJXGZSA-N 1 1 326.437 0.508 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@@H]2OCC)CC1 ZINC001267719142 838368867 /nfs/dbraw/zinc/36/88/67/838368867.db2.gz XVBVLNBWQSHXSJ-HOTGVXAUSA-N 1 1 335.448 0.331 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC001267728535 838410721 /nfs/dbraw/zinc/41/07/21/838410721.db2.gz DPKDWRVBQRJZNO-HNNXBMFYSA-N 1 1 345.447 0.733 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC001267728535 838410726 /nfs/dbraw/zinc/41/07/26/838410726.db2.gz DPKDWRVBQRJZNO-HNNXBMFYSA-N 1 1 345.447 0.733 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccn3ccnc23)C1 ZINC001267731469 838419283 /nfs/dbraw/zinc/41/92/83/838419283.db2.gz DKYHBPDPWUKAJG-KBPBESRZSA-N 1 1 339.399 0.276 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cccn3ccnc23)C1 ZINC001267731469 838419286 /nfs/dbraw/zinc/41/92/86/838419286.db2.gz DKYHBPDPWUKAJG-KBPBESRZSA-N 1 1 339.399 0.276 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001267734140 838426578 /nfs/dbraw/zinc/42/65/78/838426578.db2.gz VHLMUIVQJGFFHP-STQMWFEESA-N 1 1 339.399 0.505 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001267734140 838426580 /nfs/dbraw/zinc/42/65/80/838426580.db2.gz VHLMUIVQJGFFHP-STQMWFEESA-N 1 1 339.399 0.505 20 30 ECEDMO COCC#CCN1CC[C@@H](NC(=O)Cc2n[nH]c3c2CCCC3)C1 ZINC001267741905 838443184 /nfs/dbraw/zinc/44/31/84/838443184.db2.gz RCCTXFMQOQSDIT-CQSZACIVSA-N 1 1 330.432 0.671 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001267741905 838443189 /nfs/dbraw/zinc/44/31/89/838443189.db2.gz RCCTXFMQOQSDIT-CQSZACIVSA-N 1 1 330.432 0.671 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001267741905 838443192 /nfs/dbraw/zinc/44/31/92/838443192.db2.gz RCCTXFMQOQSDIT-CQSZACIVSA-N 1 1 330.432 0.671 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC001267752871 838474024 /nfs/dbraw/zinc/47/40/24/838474024.db2.gz UVEVCKDLHJTJSF-INIZCTEOSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001267757209 838481145 /nfs/dbraw/zinc/48/11/45/838481145.db2.gz TZVDNNVBYWLADQ-HNNXBMFYSA-N 1 1 331.420 0.757 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001267757209 838481148 /nfs/dbraw/zinc/48/11/48/838481148.db2.gz TZVDNNVBYWLADQ-HNNXBMFYSA-N 1 1 331.420 0.757 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)/C=C(/C)C2CC2)C1 ZINC001267758619 838483504 /nfs/dbraw/zinc/48/35/04/838483504.db2.gz LHRIXWVTWAXYPJ-VSKPTYQZSA-N 1 1 348.447 0.887 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)/C=C(/C)C2CC2)C1 ZINC001267758619 838483507 /nfs/dbraw/zinc/48/35/07/838483507.db2.gz LHRIXWVTWAXYPJ-VSKPTYQZSA-N 1 1 348.447 0.887 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001267761112 838488025 /nfs/dbraw/zinc/48/80/25/838488025.db2.gz BCMMPEGAVOIOQI-YPMHNXCESA-N 1 1 335.408 0.144 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001267761112 838488031 /nfs/dbraw/zinc/48/80/31/838488031.db2.gz BCMMPEGAVOIOQI-YPMHNXCESA-N 1 1 335.408 0.144 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C3CCC3)nn2)C1 ZINC001267762157 838489919 /nfs/dbraw/zinc/48/99/19/838489919.db2.gz DNFINTQVUGCOBM-OAHLLOKOSA-N 1 1 331.420 0.799 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C3CCC3)nn2)C1 ZINC001267762157 838489924 /nfs/dbraw/zinc/48/99/24/838489924.db2.gz DNFINTQVUGCOBM-OAHLLOKOSA-N 1 1 331.420 0.799 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2nc(C)cc2C)C1 ZINC001267766747 838502303 /nfs/dbraw/zinc/50/23/03/838502303.db2.gz DVZDAKMAZMPHAA-HNNXBMFYSA-N 1 1 333.436 0.335 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2nc(C)cc2C)C1 ZINC001267766747 838502309 /nfs/dbraw/zinc/50/23/09/838502309.db2.gz DVZDAKMAZMPHAA-HNNXBMFYSA-N 1 1 333.436 0.335 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCNS(C)(=O)=O)C2)CC1 ZINC001267771244 838520231 /nfs/dbraw/zinc/52/02/31/838520231.db2.gz BTZAGQKNHPUTQH-OAHLLOKOSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)CC1 ZINC001267771244 838520235 /nfs/dbraw/zinc/52/02/35/838520235.db2.gz BTZAGQKNHPUTQH-OAHLLOKOSA-N 1 1 343.493 0.815 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)COCc2ccncc2)C1 ZINC001267775856 838539504 /nfs/dbraw/zinc/53/95/04/838539504.db2.gz YRIKAYFXAZGIFA-KRWDZBQOSA-N 1 1 331.416 0.781 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)COCc2ccncc2)C1 ZINC001267775856 838539509 /nfs/dbraw/zinc/53/95/09/838539509.db2.gz YRIKAYFXAZGIFA-KRWDZBQOSA-N 1 1 331.416 0.781 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001267776968 838541823 /nfs/dbraw/zinc/54/18/23/838541823.db2.gz HQVNZUZILKGQLS-HNNXBMFYSA-N 1 1 347.463 0.991 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001267776968 838541831 /nfs/dbraw/zinc/54/18/31/838541831.db2.gz HQVNZUZILKGQLS-HNNXBMFYSA-N 1 1 347.463 0.991 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(OC)nc2)C1 ZINC001267787910 838565154 /nfs/dbraw/zinc/56/51/54/838565154.db2.gz MOCGXYVQFUYAEL-HNNXBMFYSA-N 1 1 346.431 0.929 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(OC)nc2)C1 ZINC001267787910 838565151 /nfs/dbraw/zinc/56/51/51/838565151.db2.gz MOCGXYVQFUYAEL-HNNXBMFYSA-N 1 1 346.431 0.929 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2cncs2)C1 ZINC001267786519 838566504 /nfs/dbraw/zinc/56/65/04/838566504.db2.gz NGABPJSOPDOUFJ-ZDUSSCGKSA-N 1 1 336.461 0.911 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2cncs2)C1 ZINC001267786519 838566509 /nfs/dbraw/zinc/56/65/09/838566509.db2.gz NGABPJSOPDOUFJ-ZDUSSCGKSA-N 1 1 336.461 0.911 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2cnn(CC)c2)C1 ZINC001267790002 838567987 /nfs/dbraw/zinc/56/79/87/838567987.db2.gz LXTXBRHXGNLKEL-INIZCTEOSA-N 1 1 345.447 0.118 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2cnn(CC)c2)C1 ZINC001267790002 838567991 /nfs/dbraw/zinc/56/79/91/838567991.db2.gz LXTXBRHXGNLKEL-INIZCTEOSA-N 1 1 345.447 0.118 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001267791656 838572557 /nfs/dbraw/zinc/57/25/57/838572557.db2.gz WBKZKSCMXITYTL-IUODEOHRSA-N 1 1 346.431 0.966 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001267791656 838572562 /nfs/dbraw/zinc/57/25/62/838572562.db2.gz WBKZKSCMXITYTL-IUODEOHRSA-N 1 1 346.431 0.966 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C[NH2+]Cc2cnn(C)n2)CCCC1 ZINC001267841714 838639431 /nfs/dbraw/zinc/63/94/31/838639431.db2.gz XLWZWPPJLZFSPV-CABCVRRESA-N 1 1 333.436 0.925 20 30 ECEDMO COCC#CC[NH2+]CC1(NC(=O)[C@H]2CCCc3n[nH]nc32)CCCC1 ZINC001267841715 838639482 /nfs/dbraw/zinc/63/94/82/838639482.db2.gz DOURJSKQDYJWMC-AWEZNQCLSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001267931264 838813257 /nfs/dbraw/zinc/81/32/57/838813257.db2.gz OQNQCKVWTTUESU-MRXNPFEDSA-N 1 1 335.448 0.619 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001267931264 838813270 /nfs/dbraw/zinc/81/32/70/838813270.db2.gz OQNQCKVWTTUESU-MRXNPFEDSA-N 1 1 335.448 0.619 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCc2ccn(C)n2)C1 ZINC001267937611 838820798 /nfs/dbraw/zinc/82/07/98/838820798.db2.gz OPHWXLOAASFBSB-GOEBONIOSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCc2ccn(C)n2)C1 ZINC001267937611 838820807 /nfs/dbraw/zinc/82/08/07/838820807.db2.gz OPHWXLOAASFBSB-GOEBONIOSA-N 1 1 345.447 0.071 20 30 ECEDMO C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CCN(CC(=O)NCC#N)CC1 ZINC001267944737 838832136 /nfs/dbraw/zinc/83/21/36/838832136.db2.gz JWCNGJBCVPFBIH-MRXNPFEDSA-N 1 1 349.479 0.329 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCCC1CCN(CC(=O)NCC#N)CC1 ZINC001267944737 838832147 /nfs/dbraw/zinc/83/21/47/838832147.db2.gz JWCNGJBCVPFBIH-MRXNPFEDSA-N 1 1 349.479 0.329 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](O)COC)C2)nn1 ZINC001267969792 838890402 /nfs/dbraw/zinc/89/04/02/838890402.db2.gz NDMRHYIQSROFTR-ZIAGYGMSSA-N 1 1 337.424 0.056 20 30 ECEDMO C=CCCOCC(=O)N1CCC2(CC[N@H+](C[C@@H](O)COC)C2)CC1 ZINC001267975095 838913119 /nfs/dbraw/zinc/91/31/19/838913119.db2.gz OKTUXBNAQOTZHH-MRXNPFEDSA-N 1 1 340.464 0.901 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@H+](CCCOCC)CCO2)c1 ZINC001268027449 839036277 /nfs/dbraw/zinc/03/62/77/839036277.db2.gz QQLMNFRXEOTPPC-KRWDZBQOSA-N 1 1 331.416 0.920 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+](CCCOCC)CCO2)c1 ZINC001268027449 839036291 /nfs/dbraw/zinc/03/62/91/839036291.db2.gz QQLMNFRXEOTPPC-KRWDZBQOSA-N 1 1 331.416 0.920 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cccc2n[nH]cc21 ZINC001268076916 839274494 /nfs/dbraw/zinc/27/44/94/839274494.db2.gz HNTJGCDZEIQAER-LBPRGKRZSA-N 1 1 327.388 0.362 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000098067719 219077230 /nfs/dbraw/zinc/07/72/30/219077230.db2.gz NQTBYGSCWKPQNM-UHFFFAOYSA-N 1 1 337.445 0.929 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4nc(=O)n(C)[nH]4)C3)C2)C1 ZINC001041653485 781932700 /nfs/dbraw/zinc/93/27/00/781932700.db2.gz SUALDLINCXDPRO-GOSISDBHSA-N 1 1 345.447 0.889 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@H+](Cc4nc(=O)n(C)[nH]4)C3)C2)C1 ZINC001041653485 781932709 /nfs/dbraw/zinc/93/27/09/781932709.db2.gz SUALDLINCXDPRO-GOSISDBHSA-N 1 1 345.447 0.889 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)c1 ZINC001041661696 781943873 /nfs/dbraw/zinc/94/38/73/781943873.db2.gz XKWNLCCHWJSDCR-QFBILLFUSA-N 1 1 338.411 0.489 20 30 ECEDMO COCC1(C#N)CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000342821393 284798724 /nfs/dbraw/zinc/79/87/24/284798724.db2.gz NFIYPGJWMRURQJ-UHFFFAOYSA-N 1 1 344.463 0.981 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000329902736 285019635 /nfs/dbraw/zinc/01/96/35/285019635.db2.gz PPGXCUQYFZPFAZ-GDBMZVCRSA-N 1 1 327.425 0.503 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@]3(O)CCOC3)CC2)cc1 ZINC000413081558 208281014 /nfs/dbraw/zinc/28/10/14/208281014.db2.gz XVHQMUXDKCREBC-GOSISDBHSA-N 1 1 329.400 0.744 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@]3(O)CCOC3)CC2)cc1 ZINC000413081558 208281021 /nfs/dbraw/zinc/28/10/21/208281021.db2.gz XVHQMUXDKCREBC-GOSISDBHSA-N 1 1 329.400 0.744 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CCN(C(=O)NCC(F)(F)C[NH3+])C2)nc1 ZINC000418519846 208819373 /nfs/dbraw/zinc/81/93/73/208819373.db2.gz BUHHVUVMEOJBTO-LLVKDONJSA-N 1 1 325.319 0.710 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000064443941 254484797 /nfs/dbraw/zinc/48/47/97/254484797.db2.gz NQDQXVDDERRIGO-INIZCTEOSA-N 1 1 340.427 0.598 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000294052964 254583216 /nfs/dbraw/zinc/58/32/16/254583216.db2.gz UHTKFEDMCOXTFX-UHFFFAOYSA-N 1 1 342.399 0.530 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c1 ZINC000497116782 255149206 /nfs/dbraw/zinc/14/92/06/255149206.db2.gz NVGHPDWFZRHLJG-MRXNPFEDSA-N 1 1 342.399 0.949 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c1 ZINC000497116782 255149208 /nfs/dbraw/zinc/14/92/08/255149208.db2.gz NVGHPDWFZRHLJG-MRXNPFEDSA-N 1 1 342.399 0.949 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)[N@@H+](C)C1 ZINC000329210013 286090503 /nfs/dbraw/zinc/09/05/03/286090503.db2.gz YRRNZXFRLVKMFO-AESZEHBQSA-N 1 1 341.452 0.889 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000246046677 165120591 /nfs/dbraw/zinc/12/05/91/165120591.db2.gz ZKEBZZOWQUUIDQ-OCCSQVGLSA-N 1 1 326.356 0.387 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000246046677 165120594 /nfs/dbraw/zinc/12/05/94/165120594.db2.gz ZKEBZZOWQUUIDQ-OCCSQVGLSA-N 1 1 326.356 0.387 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1 ZINC001077960548 782018495 /nfs/dbraw/zinc/01/84/95/782018495.db2.gz ZKPZHADVHNQCNI-UKRRQHHQSA-N 1 1 333.388 0.367 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1 ZINC001077960548 782018501 /nfs/dbraw/zinc/01/85/01/782018501.db2.gz ZKPZHADVHNQCNI-UKRRQHHQSA-N 1 1 333.388 0.367 20 30 ECEDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329364625 287225430 /nfs/dbraw/zinc/22/54/30/287225430.db2.gz GBMXWKCYVLXCNR-CBBWQLFWSA-N 1 1 334.424 0.691 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@]1(F)CCOC1 ZINC001077965810 782031823 /nfs/dbraw/zinc/03/18/23/782031823.db2.gz JPJNGJYVDCZONL-ZQIUZPCESA-N 1 1 339.411 0.224 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@]1(F)CCOC1 ZINC001077965810 782031825 /nfs/dbraw/zinc/03/18/25/782031825.db2.gz JPJNGJYVDCZONL-ZQIUZPCESA-N 1 1 339.411 0.224 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000491073446 421165580 /nfs/dbraw/zinc/16/55/80/421165580.db2.gz ZHCHULVRNYZROP-UHFFFAOYSA-N 1 1 327.335 0.158 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000282393622 264040507 /nfs/dbraw/zinc/04/05/07/264040507.db2.gz PXFDIFBOXKPNRD-CQSZACIVSA-N 1 1 339.399 0.883 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000283975569 264176084 /nfs/dbraw/zinc/17/60/84/264176084.db2.gz LTXHSFFGLVGNDQ-AWEZNQCLSA-N 1 1 346.431 0.820 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000376518180 270007833 /nfs/dbraw/zinc/00/78/33/270007833.db2.gz MDPNNJLPFBZQGV-MELADBBJSA-N 1 1 329.408 0.275 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000528809198 270008201 /nfs/dbraw/zinc/00/82/01/270008201.db2.gz BXDAASOJVIJYAA-CYBMUJFWSA-N 1 1 325.376 0.591 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)n1cnc(C#N)n1 ZINC000336895947 267126965 /nfs/dbraw/zinc/12/69/65/267126965.db2.gz NAOIMJHXMNAIRY-TUVASFSCSA-N 1 1 346.435 0.811 20 30 ECEDMO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000340148042 267170131 /nfs/dbraw/zinc/17/01/31/267170131.db2.gz HQCOEOWDKYMQFA-BBRMVZONSA-N 1 1 343.431 0.097 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000321731884 268081029 /nfs/dbraw/zinc/08/10/29/268081029.db2.gz ZTXWYWKKBCHONG-HOTGVXAUSA-N 1 1 335.429 0.841 20 30 ECEDMO N#Cc1ccc(S(N)(=O)=O)cc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367827284 268209062 /nfs/dbraw/zinc/20/90/62/268209062.db2.gz UBYOELQBBBGXPL-ZDUSSCGKSA-N 1 1 336.417 0.117 20 30 ECEDMO N#Cc1cccc(F)c1CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000352230416 268257517 /nfs/dbraw/zinc/25/75/17/268257517.db2.gz JYOWYJQFKZAHHS-OAHLLOKOSA-N 1 1 332.379 0.696 20 30 ECEDMO N#Cc1cccc(F)c1CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000351830316 268257833 /nfs/dbraw/zinc/25/78/33/268257833.db2.gz RAMJQWNUZLRTDO-AWEZNQCLSA-N 1 1 346.406 0.943 20 30 ECEDMO N#Cc1ccnc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000301616889 268296612 /nfs/dbraw/zinc/29/66/12/268296612.db2.gz CDTPKBUAMGFMBW-LBPRGKRZSA-N 1 1 332.364 0.861 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000528418870 268296610 /nfs/dbraw/zinc/29/66/10/268296610.db2.gz WLYZAVKHNISJON-KBPBESRZSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1csc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000370310760 268319462 /nfs/dbraw/zinc/31/94/62/268319462.db2.gz ADTJOUIVLCIVGU-AWEZNQCLSA-N 1 1 334.445 0.756 20 30 ECEDMO N#Cc1csc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000370310760 268319464 /nfs/dbraw/zinc/31/94/64/268319464.db2.gz ADTJOUIVLCIVGU-AWEZNQCLSA-N 1 1 334.445 0.756 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC001041719737 782049175 /nfs/dbraw/zinc/04/91/75/782049175.db2.gz HRXDOQDLIQFLON-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC001041719737 782049186 /nfs/dbraw/zinc/04/91/86/782049186.db2.gz HRXDOQDLIQFLON-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000433655838 274300179 /nfs/dbraw/zinc/30/01/79/274300179.db2.gz IYALKBZKPMSNRN-CYBMUJFWSA-N 1 1 326.400 1.000 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2c3ccccc3O[C@H](C)C2=O)CC1 ZINC000068271880 275379653 /nfs/dbraw/zinc/37/96/53/275379653.db2.gz HHUDBUOLQWCRCV-OAHLLOKOSA-N 1 1 341.411 0.968 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000330478047 278141062 /nfs/dbraw/zinc/14/10/62/278141062.db2.gz NCMKHZQZUXUROU-HZPDHXFCSA-N 1 1 340.468 0.858 20 30 ECEDMO CC(C)[C@H](CNC(=O)N(C)[C@H]1CCN(C)C1=O)[NH+]1CCOCC1 ZINC000329443058 280224736 /nfs/dbraw/zinc/22/47/36/280224736.db2.gz LIZVZKKZJRLOPF-KBPBESRZSA-N 1 1 326.441 0.420 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000070921984 435995779 /nfs/dbraw/zinc/99/57/79/435995779.db2.gz NAPWSZDQWJRSSM-UHFFFAOYSA-N 1 1 341.459 0.450 20 30 ECEDMO CCCC[N@@H+](CCO)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000076951323 436220620 /nfs/dbraw/zinc/22/06/20/436220620.db2.gz RBMRKHJOIOWGJZ-UHFFFAOYSA-N 1 1 349.435 0.598 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000076964081 436221347 /nfs/dbraw/zinc/22/13/47/436221347.db2.gz AJNVEVSIWAZFFP-UONOGXRCSA-N 1 1 344.481 0.256 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000076964081 436221350 /nfs/dbraw/zinc/22/13/50/436221350.db2.gz AJNVEVSIWAZFFP-UONOGXRCSA-N 1 1 344.481 0.256 20 30 ECEDMO COCC(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000077042643 436224413 /nfs/dbraw/zinc/22/44/13/436224413.db2.gz NFZSWUGJTHEYGC-UHFFFAOYSA-N 1 1 330.388 0.677 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000078659523 436275266 /nfs/dbraw/zinc/27/52/66/436275266.db2.gz PLEZSTMQKXRLKJ-MRXNPFEDSA-N 1 1 330.432 0.932 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000081646552 436353207 /nfs/dbraw/zinc/35/32/07/436353207.db2.gz WHRVOWXXNRGJAG-UHFFFAOYSA-N 1 1 333.407 0.914 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000081646552 436353210 /nfs/dbraw/zinc/35/32/10/436353210.db2.gz WHRVOWXXNRGJAG-UHFFFAOYSA-N 1 1 333.407 0.914 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000046226582 436391088 /nfs/dbraw/zinc/39/10/88/436391088.db2.gz RTKSIJZTISQMHC-UHFFFAOYSA-N 1 1 345.403 0.875 20 30 ECEDMO CC(=O)NC1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000092618279 436473758 /nfs/dbraw/zinc/47/37/58/436473758.db2.gz SPFPBUAHYLEYHZ-KRWDZBQOSA-N 1 1 349.479 0.279 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000052215998 436504973 /nfs/dbraw/zinc/50/49/73/436504973.db2.gz CHOMASWLSCZRCN-CXAGYDPISA-N 1 1 335.452 0.919 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000061261254 436636231 /nfs/dbraw/zinc/63/62/31/436636231.db2.gz ATRRDGQCLRHZHA-TZMCWYRMSA-N 1 1 336.436 0.625 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000545295557 302234730 /nfs/dbraw/zinc/23/47/30/302234730.db2.gz KFETUXRDVSMAMW-LBPRGKRZSA-N 1 1 330.388 0.963 20 30 ECEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000150895277 436692694 /nfs/dbraw/zinc/69/26/94/436692694.db2.gz OGQHOAHBFVILQU-GFCCVEGCSA-N 1 1 336.436 0.916 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000139274888 436665065 /nfs/dbraw/zinc/66/50/65/436665065.db2.gz UNCNKXSOKFEQHJ-GJZGRUSLSA-N 1 1 331.416 0.329 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COCc1ccco1 ZINC000119401545 436666828 /nfs/dbraw/zinc/66/68/28/436666828.db2.gz ZYGRSFSWPKVGSJ-LBPRGKRZSA-N 1 1 333.392 0.899 20 30 ECEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000122317895 436734103 /nfs/dbraw/zinc/73/41/03/436734103.db2.gz DHOUPDWIOQYOSE-KGLIPLIRSA-N 1 1 344.419 0.678 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000152912648 436743448 /nfs/dbraw/zinc/74/34/48/436743448.db2.gz BOKKJTDPMVOCQI-CQSZACIVSA-N 1 1 334.420 0.072 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000124344150 436747729 /nfs/dbraw/zinc/74/77/29/436747729.db2.gz RLWNGQRHBYBSDT-IINYFYTJSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000124344150 436747732 /nfs/dbraw/zinc/74/77/32/436747732.db2.gz RLWNGQRHBYBSDT-IINYFYTJSA-N 1 1 334.351 0.471 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000126973611 436794208 /nfs/dbraw/zinc/79/42/08/436794208.db2.gz UMVUDYUFLYLIEH-INIZCTEOSA-N 1 1 336.480 0.671 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000126973611 436794210 /nfs/dbraw/zinc/79/42/10/436794210.db2.gz UMVUDYUFLYLIEH-INIZCTEOSA-N 1 1 336.480 0.671 20 30 ECEDMO C#CC[N@@H+](CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O)C1CCCC1 ZINC000155754405 436801085 /nfs/dbraw/zinc/80/10/85/436801085.db2.gz PDJKPDLTQFDMLR-UHFFFAOYSA-N 1 1 332.404 0.589 20 30 ECEDMO C#CC[N@H+](CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O)C1CCCC1 ZINC000155754405 436801086 /nfs/dbraw/zinc/80/10/86/436801086.db2.gz PDJKPDLTQFDMLR-UHFFFAOYSA-N 1 1 332.404 0.589 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000252802110 436839839 /nfs/dbraw/zinc/83/98/39/436839839.db2.gz RGQSUSGXMVPAJP-YDHLFZDLSA-N 1 1 348.447 0.862 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131251420 436850381 /nfs/dbraw/zinc/85/03/81/436850381.db2.gz ZZIZWIUTCWZZQJ-UKRRQHHQSA-N 1 1 335.452 0.161 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C ZINC000293369579 436871199 /nfs/dbraw/zinc/87/11/99/436871199.db2.gz MAXRYWJFDZNJMV-UHFFFAOYSA-N 1 1 344.371 0.141 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000249901030 436827397 /nfs/dbraw/zinc/82/73/97/436827397.db2.gz SZGCDQQFWFYXIU-CHWSQXEVSA-N 1 1 334.424 0.878 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000249901030 436827399 /nfs/dbraw/zinc/82/73/99/436827399.db2.gz SZGCDQQFWFYXIU-CHWSQXEVSA-N 1 1 334.424 0.878 20 30 ECEDMO C[C@@H](CN1CCOCC1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000279716874 436835139 /nfs/dbraw/zinc/83/51/39/436835139.db2.gz LBWKRSSMXVEAGW-HNNXBMFYSA-N 1 1 330.432 0.827 20 30 ECEDMO C[C@@H](CN1CCOCC1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000279716874 436835143 /nfs/dbraw/zinc/83/51/43/436835143.db2.gz LBWKRSSMXVEAGW-HNNXBMFYSA-N 1 1 330.432 0.827 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(CNC(C)=O)cc1 ZINC000293412577 436875304 /nfs/dbraw/zinc/87/53/04/436875304.db2.gz PFLRNJNYINTRAW-UHFFFAOYSA-N 1 1 344.415 0.333 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000293418720 436875334 /nfs/dbraw/zinc/87/53/34/436875334.db2.gz PTOXMJRTLJWNDG-UHFFFAOYSA-N 1 1 339.342 0.983 20 30 ECEDMO C[NH+]=C(NC[C@H](C)N(C)C1CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261800718 436890437 /nfs/dbraw/zinc/89/04/37/436890437.db2.gz RSXINKZDPOKWMR-ZDUSSCGKSA-N 1 1 347.467 0.127 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162604933 436909662 /nfs/dbraw/zinc/90/96/62/436909662.db2.gz KYBWHVGTYNYEDU-CRAIPNDOSA-N 1 1 349.479 0.279 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000171210820 436972532 /nfs/dbraw/zinc/97/25/32/436972532.db2.gz BHECNSFIMHYIAG-UHFFFAOYSA-N 1 1 346.435 0.363 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000294026117 436928475 /nfs/dbraw/zinc/92/84/75/436928475.db2.gz QZUNBAAKKVXBMK-UHFFFAOYSA-N 1 1 348.428 0.423 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000294026117 436928478 /nfs/dbraw/zinc/92/84/78/436928478.db2.gz QZUNBAAKKVXBMK-UHFFFAOYSA-N 1 1 348.428 0.423 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000136204599 436930303 /nfs/dbraw/zinc/93/03/03/436930303.db2.gz GOUSUJNNVHMSGS-UHFFFAOYSA-N 1 1 342.443 0.925 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)CC1(C#N)CC1 ZINC000165117974 436935861 /nfs/dbraw/zinc/93/58/61/436935861.db2.gz LWVHASNMBPROJS-ZDUSSCGKSA-N 1 1 342.465 0.152 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)CC1(C#N)CC1 ZINC000165117974 436935865 /nfs/dbraw/zinc/93/58/65/436935865.db2.gz LWVHASNMBPROJS-ZDUSSCGKSA-N 1 1 342.465 0.152 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N(C)Cc1ccc2c(c1)OCO2 ZINC000262754177 436942228 /nfs/dbraw/zinc/94/22/28/436942228.db2.gz AQBWVNBDPLDXLY-OAHLLOKOSA-N 1 1 345.447 0.422 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000264562355 437047884 /nfs/dbraw/zinc/04/78/84/437047884.db2.gz OSFKTSYTZFZBSP-CQSZACIVSA-N 1 1 338.433 0.594 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284500310 437055110 /nfs/dbraw/zinc/05/51/10/437055110.db2.gz HAXLCLWECWLNBP-JKSUJKDBSA-N 1 1 334.424 0.159 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284500310 437055112 /nfs/dbraw/zinc/05/51/12/437055112.db2.gz HAXLCLWECWLNBP-JKSUJKDBSA-N 1 1 334.424 0.159 20 30 ECEDMO Cn1ccnc1[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCN1C ZINC000329977703 303006531 /nfs/dbraw/zinc/00/65/31/303006531.db2.gz ZYOTXRRBDZSZCT-UKRRQHHQSA-N 1 1 332.452 0.859 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC000285588366 437079101 /nfs/dbraw/zinc/07/91/01/437079101.db2.gz BTIXDLXUOBVLQM-CVEARBPZSA-N 1 1 342.399 0.220 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000285534885 437079506 /nfs/dbraw/zinc/07/95/06/437079506.db2.gz BKXDALRZUQBKHI-CQSZACIVSA-N 1 1 343.493 0.639 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000299670395 437101433 /nfs/dbraw/zinc/10/14/33/437101433.db2.gz SKGPXNRMAXOCDT-CQSZACIVSA-N 1 1 328.416 0.359 20 30 ECEDMO CN(Cc1nccc(N)n1)[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000276791558 437162592 /nfs/dbraw/zinc/16/25/92/437162592.db2.gz SXECXMDJBJEJBI-CQSZACIVSA-N 1 1 325.420 0.975 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000331816334 437163542 /nfs/dbraw/zinc/16/35/42/437163542.db2.gz GJJVMZDVXGYJGX-RRFJBIMHSA-N 1 1 333.436 0.627 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000178493644 437215831 /nfs/dbraw/zinc/21/58/31/437215831.db2.gz CLXCCHMQUKWYCC-UHFFFAOYSA-N 1 1 332.404 0.890 20 30 ECEDMO COc1ccc(CCNC(=[NH2+])NC[C@H]2CN3CCN2CC3)cc1OC ZINC000178991137 437247380 /nfs/dbraw/zinc/24/73/80/437247380.db2.gz QAGUMQCWHMZXJL-HNNXBMFYSA-N 1 1 347.463 0.150 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC000328688443 437252248 /nfs/dbraw/zinc/25/22/48/437252248.db2.gz ZYANACXBRCUARI-KGLIPLIRSA-N 1 1 331.482 0.997 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)co2)CC1 ZINC000179237088 437255333 /nfs/dbraw/zinc/25/53/33/437255333.db2.gz WYOHNCGHBLMOKE-UHFFFAOYSA-N 1 1 328.390 0.995 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000328718549 437255446 /nfs/dbraw/zinc/25/54/46/437255446.db2.gz PWJVIOHXBKSGKY-KGLIPLIRSA-N 1 1 326.441 0.420 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)CN2CCCS2(=O)=O)CC1(C)C ZINC000328729268 437257988 /nfs/dbraw/zinc/25/79/88/437257988.db2.gz VYXNUOGZPROZSE-UHFFFAOYSA-N 1 1 332.470 0.004 20 30 ECEDMO C=CC[C@@H]1[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CCCC1(C)C ZINC000277903256 437263046 /nfs/dbraw/zinc/26/30/46/437263046.db2.gz WVHPGNLRVSOLEI-ZDUSSCGKSA-N 1 1 348.447 0.916 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000278356655 437307238 /nfs/dbraw/zinc/30/72/38/437307238.db2.gz RBONSDXYRVIZAJ-CGTJXYLNSA-N 1 1 334.416 0.937 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000336917132 437310996 /nfs/dbraw/zinc/31/09/96/437310996.db2.gz NWVSJXSETAWTIM-GJZGRUSLSA-N 1 1 346.497 0.803 20 30 ECEDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336926572 437312970 /nfs/dbraw/zinc/31/29/70/437312970.db2.gz XIMGIFNEEXKIPO-KGLIPLIRSA-N 1 1 330.454 0.310 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000288189430 437291161 /nfs/dbraw/zinc/29/11/61/437291161.db2.gz RSJIIBGWLPDBCM-QGZVFWFLSA-N 1 1 345.443 0.904 20 30 ECEDMO CN1CC[C@H](NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1=O ZINC000329275168 437344664 /nfs/dbraw/zinc/34/46/64/437344664.db2.gz JSQZEBAYPYYUGH-CVEARBPZSA-N 1 1 330.432 0.990 20 30 ECEDMO CN1CC[C@H](NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1=O ZINC000329275168 437344666 /nfs/dbraw/zinc/34/46/66/437344666.db2.gz JSQZEBAYPYYUGH-CVEARBPZSA-N 1 1 330.432 0.990 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCN(C(C)C)C2=O)C1 ZINC000329284131 437346025 /nfs/dbraw/zinc/34/60/25/437346025.db2.gz FZQOZAWBJDDHIF-CABCVRRESA-N 1 1 340.468 0.856 20 30 ECEDMO CN(C)C(=O)CN1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329314586 437351192 /nfs/dbraw/zinc/35/11/92/437351192.db2.gz RTYJYYBGUIIKKG-CQSZACIVSA-N 1 1 337.468 0.279 20 30 ECEDMO Cc1noc(C2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)n1 ZINC000329452397 437371348 /nfs/dbraw/zinc/37/13/48/437371348.db2.gz NGEQHLSEMUHXQQ-AWEZNQCLSA-N 1 1 336.440 0.717 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337045690 437323396 /nfs/dbraw/zinc/32/33/96/437323396.db2.gz MGGHKHCYLMUQCC-OAHLLOKOSA-N 1 1 344.481 0.511 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000337064648 437326081 /nfs/dbraw/zinc/32/60/81/437326081.db2.gz JMUUTZIMAQYMQI-CQSZACIVSA-N 1 1 332.470 0.293 20 30 ECEDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)N(CCC#N)CCOC)C1 ZINC000337072470 437326303 /nfs/dbraw/zinc/32/63/03/437326303.db2.gz PNNDDWLFPWZXJW-AWEZNQCLSA-N 1 1 332.470 0.367 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000337092102 437329534 /nfs/dbraw/zinc/32/95/34/437329534.db2.gz MAFYRECNPWMUEI-HNNXBMFYSA-N 1 1 345.513 0.328 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181952963 437332528 /nfs/dbraw/zinc/33/25/28/437332528.db2.gz BMEPLLHZKIGQMK-GFCCVEGCSA-N 1 1 325.434 0.890 20 30 ECEDMO O=C(C[NH+]1C[C@@H]2CCC[C@H]2C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000329773567 437411114 /nfs/dbraw/zinc/41/11/14/437411114.db2.gz LNYMZGCINGFJOI-SRVKXCTJSA-N 1 1 329.422 0.776 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000329809089 437416059 /nfs/dbraw/zinc/41/60/59/437416059.db2.gz PVQVNICGCUIYPN-ZBFHGGJFSA-N 1 1 334.468 0.934 20 30 ECEDMO C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000338803881 437419551 /nfs/dbraw/zinc/41/95/51/437419551.db2.gz BHIZILFLKMGXGN-HUUCEWRRSA-N 1 1 349.435 0.463 20 30 ECEDMO C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000338803881 437419554 /nfs/dbraw/zinc/41/95/54/437419554.db2.gz BHIZILFLKMGXGN-HUUCEWRRSA-N 1 1 349.435 0.463 20 30 ECEDMO CCN1CCN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1=O ZINC000329840869 437421115 /nfs/dbraw/zinc/42/11/15/437421115.db2.gz NHHPTZMZLOZEPI-HNNXBMFYSA-N 1 1 339.484 0.337 20 30 ECEDMO C=CCn1c([C@H]2COCCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000337837978 437380277 /nfs/dbraw/zinc/38/02/77/437380277.db2.gz DEKOXQMBRMLELD-ZIAGYGMSSA-N 1 1 335.408 0.073 20 30 ECEDMO C=CCn1c([C@H]2COCCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000337837978 437380278 /nfs/dbraw/zinc/38/02/78/437380278.db2.gz DEKOXQMBRMLELD-ZIAGYGMSSA-N 1 1 335.408 0.073 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000279325362 437395987 /nfs/dbraw/zinc/39/59/87/437395987.db2.gz POBQTMALOBNPHL-BETUJISGSA-N 1 1 345.374 0.796 20 30 ECEDMO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3ncnn3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000330225106 437470882 /nfs/dbraw/zinc/47/08/82/437470882.db2.gz NZXQCBPXBLJUFW-KFWWJZLASA-N 1 1 348.451 0.550 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000339629793 437479858 /nfs/dbraw/zinc/47/98/58/437479858.db2.gz RWCSTPFDTQMGLZ-IXDOHACOSA-N 1 1 335.496 0.703 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCO[C@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000339016127 437434237 /nfs/dbraw/zinc/43/42/37/437434237.db2.gz GHVIBDINFHMERP-KBPBESRZSA-N 1 1 330.454 0.262 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCSC2)CC1 ZINC000329977045 437440138 /nfs/dbraw/zinc/44/01/38/437440138.db2.gz FURNMYFRKYWFOS-QWHCGFSZSA-N 1 1 326.466 0.644 20 30 ECEDMO CNC(=O)N1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000330018414 437445664 /nfs/dbraw/zinc/44/56/64/437445664.db2.gz SSVLNIKZBAIHHE-UHFFFAOYSA-N 1 1 345.407 0.524 20 30 ECEDMO Cc1nccc(NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000330156618 437461058 /nfs/dbraw/zinc/46/10/58/437461058.db2.gz OXBMBQNARUXJPE-UHFFFAOYSA-N 1 1 346.435 0.817 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(CC(=O)N(CCC#N)CCC#N)[C@H]2C1 ZINC000339375130 437461550 /nfs/dbraw/zinc/46/15/50/437461550.db2.gz BSVXYNXBGUDXEN-JKSUJKDBSA-N 1 1 333.436 0.437 20 30 ECEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000330379532 437494800 /nfs/dbraw/zinc/49/48/00/437494800.db2.gz SZSUYWXWVHOADE-KGLIPLIRSA-N 1 1 346.497 0.774 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000330406861 437503433 /nfs/dbraw/zinc/50/34/33/437503433.db2.gz OMFINPHKBJUZQM-UHFFFAOYSA-N 1 1 349.439 0.184 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+](C)CC)cc1 ZINC000354020710 437506140 /nfs/dbraw/zinc/50/61/40/437506140.db2.gz UCQATYOGLOSODO-UHFFFAOYSA-N 1 1 325.434 0.832 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)n1 ZINC000187725586 437510877 /nfs/dbraw/zinc/51/08/77/437510877.db2.gz ZYJKFTKOIGJUPE-UHFFFAOYSA-N 1 1 332.408 0.827 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000291760404 437624153 /nfs/dbraw/zinc/62/41/53/437624153.db2.gz LCWOGRQIJROHLK-SJORKVTESA-N 1 1 344.463 0.822 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+](CC)CCC ZINC000360173430 437545897 /nfs/dbraw/zinc/54/58/97/437545897.db2.gz ZDQFCHJAXOASQA-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000354224242 437564158 /nfs/dbraw/zinc/56/41/58/437564158.db2.gz QPAXWDNZRCIKMY-ZDUSSCGKSA-N 1 1 334.351 0.473 20 30 ECEDMO COC(=O)c1cncc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000330671757 437584654 /nfs/dbraw/zinc/58/46/54/437584654.db2.gz CLGXGAHUOFLPEO-UHFFFAOYSA-N 1 1 336.392 0.802 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)n1 ZINC000343469657 437588580 /nfs/dbraw/zinc/58/85/80/437588580.db2.gz OIWFINVMBBBPPD-RYUDHWBXSA-N 1 1 332.408 0.825 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)Cc2ccncc2)CC1 ZINC000330685787 437589365 /nfs/dbraw/zinc/58/93/65/437589365.db2.gz UYACACDLTJVYQW-UHFFFAOYSA-N 1 1 333.436 0.980 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C[C@H]1C ZINC000330856512 437635352 /nfs/dbraw/zinc/63/53/52/437635352.db2.gz PVUJDOXJFGMJKR-MROQNXINSA-N 1 1 328.413 0.370 20 30 ECEDMO CCN(C)C(=O)[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000331016977 437672933 /nfs/dbraw/zinc/67/29/33/437672933.db2.gz LZGRYTXFOZYFLU-OLZOCXBDSA-N 1 1 328.457 0.544 20 30 ECEDMO COc1ccnc(N2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000361452382 437666675 /nfs/dbraw/zinc/66/66/75/437666675.db2.gz OTNVOVIDWPUJSF-CQSZACIVSA-N 1 1 346.435 0.758 20 30 ECEDMO COc1ccnc(N2CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000361452382 437666681 /nfs/dbraw/zinc/66/66/81/437666681.db2.gz OTNVOVIDWPUJSF-CQSZACIVSA-N 1 1 346.435 0.758 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000343908234 437690086 /nfs/dbraw/zinc/69/00/86/437690086.db2.gz IUMVRSZRYKUBPU-HNNXBMFYSA-N 1 1 336.480 0.696 20 30 ECEDMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)c(F)c3)[C@H]2C1 ZINC000292457896 437691887 /nfs/dbraw/zinc/69/18/87/437691887.db2.gz YOIIHHINWPGMJY-LSDHHAIUSA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)c(F)c3)[C@H]2C1 ZINC000292457896 437691893 /nfs/dbraw/zinc/69/18/93/437691893.db2.gz YOIIHHINWPGMJY-LSDHHAIUSA-N 1 1 339.392 0.791 20 30 ECEDMO Cn1ncc(C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1C#N ZINC000356436099 437766806 /nfs/dbraw/zinc/76/68/06/437766806.db2.gz YUWIHEGRBDWEIO-HNNXBMFYSA-N 1 1 339.399 0.441 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000344059378 437724197 /nfs/dbraw/zinc/72/41/97/437724197.db2.gz LSYNZQKGOYYIDF-KRWDZBQOSA-N 1 1 331.464 0.900 20 30 ECEDMO CN(CCCN(C)[C@H](C(N)=O)c1ccc(C#N)cc1)CC[NH+](C)C ZINC000344059378 437724203 /nfs/dbraw/zinc/72/42/03/437724203.db2.gz LSYNZQKGOYYIDF-KRWDZBQOSA-N 1 1 331.464 0.900 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000362840734 437758278 /nfs/dbraw/zinc/75/82/78/437758278.db2.gz QVDFFDCLLCBFPE-HNNXBMFYSA-N 1 1 331.420 0.033 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000340935484 437760643 /nfs/dbraw/zinc/76/06/43/437760643.db2.gz SOGARILGAUNDFQ-CQSZACIVSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000340935484 437760646 /nfs/dbraw/zinc/76/06/46/437760646.db2.gz SOGARILGAUNDFQ-CQSZACIVSA-N 1 1 346.362 0.615 20 30 ECEDMO Cc1cc(NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)nn1CCC#N ZINC000364641766 437818293 /nfs/dbraw/zinc/81/82/93/437818293.db2.gz AYLDIPHHDKDWPR-UHFFFAOYSA-N 1 1 348.451 1.416 20 30 ECEDMO COCCCNC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346829634 437820177 /nfs/dbraw/zinc/82/01/77/437820177.db2.gz RCCUIZXNYJKVKW-UHFFFAOYSA-N 1 1 336.436 0.414 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000345748531 437798493 /nfs/dbraw/zinc/79/84/93/437798493.db2.gz NFFZOZFSLUEZCI-HUUCEWRRSA-N 1 1 337.468 0.099 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000341445664 437847161 /nfs/dbraw/zinc/84/71/61/437847161.db2.gz BZLXAHVJIYLSTF-SFHVURJKSA-N 1 1 346.431 0.437 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000341527276 437860167 /nfs/dbraw/zinc/86/01/67/437860167.db2.gz DLJVLRLOMDHNFU-UHFFFAOYSA-N 1 1 346.431 0.929 20 30 ECEDMO COCC1(C#N)CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000341547865 437864170 /nfs/dbraw/zinc/86/41/70/437864170.db2.gz KMYLZTUIIYTZPR-OAHLLOKOSA-N 1 1 338.452 0.916 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000357006602 437884893 /nfs/dbraw/zinc/88/48/93/437884893.db2.gz SLTKKGYLSMWBCK-CYBMUJFWSA-N 1 1 330.454 0.010 20 30 ECEDMO C=CC[C@@H](CO)CNC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000341838981 437907408 /nfs/dbraw/zinc/90/74/08/437907408.db2.gz IYXIQTJZVIBXLW-HZPDHXFCSA-N 1 1 326.485 0.744 20 30 ECEDMO C=CC[C@@H](CO)CNC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000341838982 437909015 /nfs/dbraw/zinc/90/90/15/437909015.db2.gz IYXIQTJZVIBXLW-JKSUJKDBSA-N 1 1 326.485 0.744 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000371296599 437913302 /nfs/dbraw/zinc/91/33/02/437913302.db2.gz ATEOVWRSFMNDLA-IRXDYDNUSA-N 1 1 341.411 0.976 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000371296599 437913310 /nfs/dbraw/zinc/91/33/10/437913310.db2.gz ATEOVWRSFMNDLA-IRXDYDNUSA-N 1 1 341.411 0.976 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000357305158 437960366 /nfs/dbraw/zinc/96/03/66/437960366.db2.gz IRORPSZDYYUKCK-CQSZACIVSA-N 1 1 346.435 1.034 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000371788191 437992241 /nfs/dbraw/zinc/99/22/41/437992241.db2.gz JKLXVILBKMZQJJ-LLVKDONJSA-N 1 1 340.449 0.384 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425306236 438020125 /nfs/dbraw/zinc/02/01/25/438020125.db2.gz AAUMDRLBCDBAFJ-OAHLLOKOSA-N 1 1 348.447 0.583 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000348186476 438027019 /nfs/dbraw/zinc/02/70/19/438027019.db2.gz NQGUVTFHTLLSIF-YHVOSOIQSA-N 1 1 336.436 0.228 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000342591507 438035155 /nfs/dbraw/zinc/03/51/55/438035155.db2.gz SRONWPGDZOPGEX-KBXCAEBGSA-N 1 1 346.406 0.706 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000366000986 438003253 /nfs/dbraw/zinc/00/32/53/438003253.db2.gz OILKTORJKKBEAM-MRXNPFEDSA-N 1 1 329.400 0.832 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429004563 438095984 /nfs/dbraw/zinc/09/59/84/438095984.db2.gz XKSHFTAEEAAWPY-NSHDSACASA-N 1 1 330.157 0.851 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C)[C@H](C#N)C3)C2)CC1 ZINC000372224068 438051671 /nfs/dbraw/zinc/05/16/71/438051671.db2.gz WDPICRVXKZJABI-GDBMZVCRSA-N 1 1 334.468 0.004 20 30 ECEDMO CN1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C#N ZINC000372224068 438051675 /nfs/dbraw/zinc/05/16/75/438051675.db2.gz WDPICRVXKZJABI-GDBMZVCRSA-N 1 1 334.468 0.004 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430384237 438110449 /nfs/dbraw/zinc/11/04/49/438110449.db2.gz IYPVYHZAVVJEBO-BPUTZDHNSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430384239 438110496 /nfs/dbraw/zinc/11/04/96/438110496.db2.gz IYPVYHZAVVJEBO-KBMXLJTQSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000430410021 438110759 /nfs/dbraw/zinc/11/07/59/438110759.db2.gz BHLFRIXNWBJDKM-PMPSAXMXSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000430410021 438110762 /nfs/dbraw/zinc/11/07/62/438110762.db2.gz BHLFRIXNWBJDKM-PMPSAXMXSA-N 1 1 337.464 0.882 20 30 ECEDMO C[C@@H](C#N)C[N@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 ZINC000348960614 438119787 /nfs/dbraw/zinc/11/97/87/438119787.db2.gz YWGFCKJROXBFCG-NSHDSACASA-N 1 1 330.392 0.058 20 30 ECEDMO C[C@@H](C#N)C[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 ZINC000348960614 438119792 /nfs/dbraw/zinc/11/97/92/438119792.db2.gz YWGFCKJROXBFCG-NSHDSACASA-N 1 1 330.392 0.058 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)nn1CCC#N ZINC000373178559 438132049 /nfs/dbraw/zinc/13/20/49/438132049.db2.gz LYXWQJJICNTWMF-KGLIPLIRSA-N 1 1 344.419 0.596 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCC3(CC#N)CC3)CC2)C1 ZINC000374016983 438180755 /nfs/dbraw/zinc/18/07/55/438180755.db2.gz HOTNIFPSKGHSQP-MRXNPFEDSA-N 1 1 349.479 0.728 20 30 ECEDMO CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)NCC3(CC#N)CC3)CC2)C1 ZINC000374016983 438180761 /nfs/dbraw/zinc/18/07/61/438180761.db2.gz HOTNIFPSKGHSQP-MRXNPFEDSA-N 1 1 349.479 0.728 20 30 ECEDMO CN(C(=O)NCC(=O)NCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000367582088 438225931 /nfs/dbraw/zinc/22/59/31/438225931.db2.gz ZMMBUGQFUDWPFE-INIZCTEOSA-N 1 1 343.431 0.932 20 30 ECEDMO C=CCOCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376410888 438281427 /nfs/dbraw/zinc/28/14/27/438281427.db2.gz CSMTXKHEBKGCSR-GOOCMWNKSA-N 1 1 338.452 0.572 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000377892162 438331843 /nfs/dbraw/zinc/33/18/43/438331843.db2.gz DWOSRWVUKVBMKH-GOSISDBHSA-N 1 1 339.439 0.975 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(C#N)CCC2)CC1 ZINC000419424511 438356945 /nfs/dbraw/zinc/35/69/45/438356945.db2.gz ONVKJMAYQBAERD-UHFFFAOYSA-N 1 1 335.452 0.970 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000368687006 438366470 /nfs/dbraw/zinc/36/64/70/438366470.db2.gz ZDFAKBXQKSWNFH-UONOGXRCSA-N 1 1 346.435 0.778 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[N@H+]1C ZINC000359232651 438385328 /nfs/dbraw/zinc/38/53/28/438385328.db2.gz TXHUQVVLPIXAMS-WCQYABFASA-N 1 1 346.435 1.047 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000407955296 438471560 /nfs/dbraw/zinc/47/15/60/438471560.db2.gz HQOQEYQOQHOOPM-QWHCGFSZSA-N 1 1 332.470 0.100 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000407955296 438471567 /nfs/dbraw/zinc/47/15/67/438471567.db2.gz HQOQEYQOQHOOPM-QWHCGFSZSA-N 1 1 332.470 0.100 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369359605 438460546 /nfs/dbraw/zinc/46/05/46/438460546.db2.gz RVMQCAKNCWQDOM-GJZGRUSLSA-N 1 1 337.468 0.099 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000441221499 438579976 /nfs/dbraw/zinc/57/99/76/438579976.db2.gz AFBHYBHMEUHHHS-QEORTHHSSA-N 1 1 339.436 0.675 20 30 ECEDMO C=CC[N@H+](C)CCN(CC)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000411642543 438679343 /nfs/dbraw/zinc/67/93/43/438679343.db2.gz NLRSTKWIKDLHES-MRXNPFEDSA-N 1 1 338.496 0.943 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@]3(C#N)C[C@H]3C)CC2)C1 ZINC000448924522 438686455 /nfs/dbraw/zinc/68/64/55/438686455.db2.gz ZNYLXAONVJPNDJ-NUJGCVRESA-N 1 1 334.464 0.790 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)Nc2cc(C)cc(C#N)c2)[N@@H+](C)C1 ZINC000453781586 438693677 /nfs/dbraw/zinc/69/36/77/438693677.db2.gz HIIYKYPBPNDAIM-HOTGVXAUSA-N 1 1 344.415 0.983 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000453819146 438695691 /nfs/dbraw/zinc/69/56/91/438695691.db2.gz MNHNZTLZXARACN-AWEZNQCLSA-N 1 1 348.378 0.599 20 30 ECEDMO C=CCC[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000456784731 438781066 /nfs/dbraw/zinc/78/10/66/438781066.db2.gz XRFZGYCZPGFWNQ-ARFHVFGLSA-N 1 1 337.464 0.763 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCCN1CC[NH+](C)CC1 ZINC000558565031 438813423 /nfs/dbraw/zinc/81/34/23/438813423.db2.gz RXYUTFJHSRRWII-HNNXBMFYSA-N 1 1 345.513 0.330 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)CCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595523209 438815364 /nfs/dbraw/zinc/81/53/64/438815364.db2.gz PRBXPSYDBLUDCM-DOTOQJQBSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@H]1CN(CCO)CC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595523209 438815370 /nfs/dbraw/zinc/81/53/70/438815370.db2.gz PRBXPSYDBLUDCM-DOTOQJQBSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@H]1CN(CCO)CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595523209 438815373 /nfs/dbraw/zinc/81/53/73/438815373.db2.gz PRBXPSYDBLUDCM-DOTOQJQBSA-N 1 1 333.432 0.491 20 30 ECEDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000595543784 438821647 /nfs/dbraw/zinc/82/16/47/438821647.db2.gz KQVROOYAUUAEEI-HZPDHXFCSA-N 1 1 331.416 0.902 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C)c(C#N)cn2)[C@@H](C)C1 ZINC000457708114 438823112 /nfs/dbraw/zinc/82/31/12/438823112.db2.gz NAQVZIGURIGDPZ-ZDUSSCGKSA-N 1 1 330.388 0.971 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C)c(C#N)cn2)[C@@H](C)C1 ZINC000457708114 438823118 /nfs/dbraw/zinc/82/31/18/438823118.db2.gz NAQVZIGURIGDPZ-ZDUSSCGKSA-N 1 1 330.388 0.971 20 30 ECEDMO N#CC1(NC(=O)C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)CCC1 ZINC000595552356 438823409 /nfs/dbraw/zinc/82/34/09/438823409.db2.gz UFHVWGAVBOYIDC-UHFFFAOYSA-N 1 1 349.435 0.055 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595606552 438832213 /nfs/dbraw/zinc/83/22/13/438832213.db2.gz HZQWTDRKCGLSMO-OAHLLOKOSA-N 1 1 345.428 0.946 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595606552 438832216 /nfs/dbraw/zinc/83/22/16/438832216.db2.gz HZQWTDRKCGLSMO-OAHLLOKOSA-N 1 1 345.428 0.946 20 30 ECEDMO N#Cc1ncn(CCNC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000595622095 438836918 /nfs/dbraw/zinc/83/69/18/438836918.db2.gz RJSSNNWDGHWMRP-AWEZNQCLSA-N 1 1 331.424 0.571 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588861372 438846362 /nfs/dbraw/zinc/84/63/62/438846362.db2.gz SONYMCUNOCGEJI-HUUCEWRRSA-N 1 1 345.399 0.613 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000590255464 438904247 /nfs/dbraw/zinc/90/42/47/438904247.db2.gz NEZVBVAMDJQYHL-MRXNPFEDSA-N 1 1 343.431 0.398 20 30 ECEDMO N#Cc1cc(O)cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000589175020 438860904 /nfs/dbraw/zinc/86/09/04/438860904.db2.gz BCPJLBXNUGUMLW-CYBMUJFWSA-N 1 1 330.388 0.581 20 30 ECEDMO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000595829708 438867127 /nfs/dbraw/zinc/86/71/27/438867127.db2.gz XOMCDXVFOKZLTL-MRXNPFEDSA-N 1 1 343.431 0.862 20 30 ECEDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000595829708 438867133 /nfs/dbraw/zinc/86/71/33/438867133.db2.gz XOMCDXVFOKZLTL-MRXNPFEDSA-N 1 1 343.431 0.862 20 30 ECEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 ZINC000601470283 438908013 /nfs/dbraw/zinc/90/80/13/438908013.db2.gz FLUBVIJAFPSLBG-INIZCTEOSA-N 1 1 349.479 0.235 20 30 ECEDMO C[NH+](C)C1(CS(=O)(=O)N2CCN(c3cnccc3C#N)CC2)CC1 ZINC000601420823 438886117 /nfs/dbraw/zinc/88/61/17/438886117.db2.gz YBJUUGHXFXRREG-UHFFFAOYSA-N 1 1 349.460 0.499 20 30 ECEDMO N#Cc1cccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000578320824 438915564 /nfs/dbraw/zinc/91/55/64/438915564.db2.gz DZUKRNOCGPYWDJ-LBPRGKRZSA-N 1 1 330.392 0.662 20 30 ECEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CNc1ccc(C#N)cn1 ZINC000565357037 438943618 /nfs/dbraw/zinc/94/36/18/438943618.db2.gz ITWVWQSKAZJOIO-UHFFFAOYSA-N 1 1 331.420 0.934 20 30 ECEDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CNc1ccc(C#N)cn1 ZINC000565357037 438943622 /nfs/dbraw/zinc/94/36/22/438943622.db2.gz ITWVWQSKAZJOIO-UHFFFAOYSA-N 1 1 331.420 0.934 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000596169796 438936175 /nfs/dbraw/zinc/93/61/75/438936175.db2.gz VQOKWKFCRSKLLO-CQSZACIVSA-N 1 1 328.420 0.653 20 30 ECEDMO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000590762267 438954977 /nfs/dbraw/zinc/95/49/77/438954977.db2.gz MUWMQDNMOVMACI-RBSFLKMASA-N 1 1 348.472 0.912 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nn1 ZINC000566145770 439013086 /nfs/dbraw/zinc/01/30/86/439013086.db2.gz UIHYPHDFBTWWJW-MRXNPFEDSA-N 1 1 348.451 0.860 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597384156 439087807 /nfs/dbraw/zinc/08/78/07/439087807.db2.gz ADHDVAOAGWVBIU-UHFFFAOYSA-N 1 1 336.436 0.319 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC(C)(C)N3CCOCC3)CC2)c1C#N ZINC000602630134 439118920 /nfs/dbraw/zinc/11/89/20/439118920.db2.gz KLFVEKLMHUSDCM-UHFFFAOYSA-N 1 1 346.479 0.833 20 30 ECEDMO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000592149377 439167084 /nfs/dbraw/zinc/16/70/84/439167084.db2.gz NXQQIFQWDGRAGQ-SFHVURJKSA-N 1 1 346.406 0.825 20 30 ECEDMO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000592149377 439167089 /nfs/dbraw/zinc/16/70/89/439167089.db2.gz NXQQIFQWDGRAGQ-SFHVURJKSA-N 1 1 346.406 0.825 20 30 ECEDMO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000592149370 439167680 /nfs/dbraw/zinc/16/76/80/439167680.db2.gz NSBIWBSYGLHXEH-GOSISDBHSA-N 1 1 346.406 0.825 20 30 ECEDMO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000592149370 439167685 /nfs/dbraw/zinc/16/76/85/439167685.db2.gz NSBIWBSYGLHXEH-GOSISDBHSA-N 1 1 346.406 0.825 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592154823 439170549 /nfs/dbraw/zinc/17/05/49/439170549.db2.gz YCOPOVWDIYKSON-HNNXBMFYSA-N 1 1 344.415 0.637 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC(C)(C)[NH+]3CCOCC3)CC2)c1C#N ZINC000602630134 439118926 /nfs/dbraw/zinc/11/89/26/439118926.db2.gz KLFVEKLMHUSDCM-UHFFFAOYSA-N 1 1 346.479 0.833 20 30 ECEDMO N#CCC1(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000602802257 439136697 /nfs/dbraw/zinc/13/66/97/439136697.db2.gz PPLZUTFWFIRPCO-AWEZNQCLSA-N 1 1 327.450 0.807 20 30 ECEDMO N#CCC1(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000602802257 439136700 /nfs/dbraw/zinc/13/67/00/439136700.db2.gz PPLZUTFWFIRPCO-AWEZNQCLSA-N 1 1 327.450 0.807 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c1C#N ZINC000487448322 439148781 /nfs/dbraw/zinc/14/87/81/439148781.db2.gz ZXFULLVBLINAOY-SWLSCSKDSA-N 1 1 330.436 0.447 20 30 ECEDMO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000602933406 439163716 /nfs/dbraw/zinc/16/37/16/439163716.db2.gz CIHDBRPHZYJVTN-LZWOXQAQSA-N 1 1 340.420 0.710 20 30 ECEDMO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000602933406 439163725 /nfs/dbraw/zinc/16/37/25/439163725.db2.gz CIHDBRPHZYJVTN-LZWOXQAQSA-N 1 1 340.420 0.710 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602935663 439165683 /nfs/dbraw/zinc/16/56/83/439165683.db2.gz MLONNQSONDMFCN-HDICACEKSA-N 1 1 343.383 0.930 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)c(=O)n2C ZINC000602979225 439174861 /nfs/dbraw/zinc/17/48/61/439174861.db2.gz BFBRMPQXBVRGAY-CHWSQXEVSA-N 1 1 344.419 0.448 20 30 ECEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000567835419 439184697 /nfs/dbraw/zinc/18/46/97/439184697.db2.gz OEZXNOKLXWMPSH-GFCCVEGCSA-N 1 1 345.403 0.195 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000567835419 439184699 /nfs/dbraw/zinc/18/46/99/439184699.db2.gz OEZXNOKLXWMPSH-GFCCVEGCSA-N 1 1 345.403 0.195 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000592210036 439186436 /nfs/dbraw/zinc/18/64/36/439186436.db2.gz UITULSJYCBOHCO-PMPSAXMXSA-N 1 1 348.399 0.348 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)n1cnc(C#N)n1 ZINC000603120877 439195926 /nfs/dbraw/zinc/19/59/26/439195926.db2.gz XRCBCZWBOUPZRP-JHJVBQTASA-N 1 1 332.408 0.326 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000526056725 439236955 /nfs/dbraw/zinc/23/69/55/439236955.db2.gz BZLYICMDJHPERY-HUUCEWRRSA-N 1 1 347.463 0.176 20 30 ECEDMO C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000489810134 439242337 /nfs/dbraw/zinc/24/23/37/439242337.db2.gz QQZLZPZTTYUPFG-GFCCVEGCSA-N 1 1 341.408 0.775 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000489810134 439242339 /nfs/dbraw/zinc/24/23/39/439242339.db2.gz QQZLZPZTTYUPFG-GFCCVEGCSA-N 1 1 341.408 0.775 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)C1CC1 ZINC000581840051 439257669 /nfs/dbraw/zinc/25/76/69/439257669.db2.gz CHQWMSJUAZJELL-QZTJIDSGSA-N 1 1 348.447 0.244 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)C1CC1 ZINC000581840051 439257673 /nfs/dbraw/zinc/25/76/73/439257673.db2.gz CHQWMSJUAZJELL-QZTJIDSGSA-N 1 1 348.447 0.244 20 30 ECEDMO C[N@@H+](CCn1c(=O)c(C#N)cn(CCO)c1=O)Cc1ccccc1 ZINC000603427884 439259359 /nfs/dbraw/zinc/25/93/59/439259359.db2.gz XYECYYIYOWMKIR-UHFFFAOYSA-N 1 1 328.372 0.006 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490492388 439269786 /nfs/dbraw/zinc/26/97/86/439269786.db2.gz PQBYPDSPEQUCRA-UHFFFAOYSA-N 1 1 338.795 0.845 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 ZINC000490923186 439314317 /nfs/dbraw/zinc/31/43/17/439314317.db2.gz IYQOQTLGVYJJPY-KBPBESRZSA-N 1 1 329.466 0.549 20 30 ECEDMO C#CCN(C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490937630 439315638 /nfs/dbraw/zinc/31/56/38/439315638.db2.gz VICULVHPNZZQSD-UKRRQHHQSA-N 1 1 339.461 0.469 20 30 ECEDMO C#CCN(C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490937626 439316058 /nfs/dbraw/zinc/31/60/58/439316058.db2.gz VICULVHPNZZQSD-DZGCQCFKSA-N 1 1 339.461 0.469 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000569351029 439325060 /nfs/dbraw/zinc/32/50/60/439325060.db2.gz JMBHNWXUGSJGEV-CQSZACIVSA-N 1 1 334.445 0.801 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000569351029 439325065 /nfs/dbraw/zinc/32/50/65/439325065.db2.gz JMBHNWXUGSJGEV-CQSZACIVSA-N 1 1 334.445 0.801 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000491070476 439327604 /nfs/dbraw/zinc/32/76/04/439327604.db2.gz CJDWHXNVHXFSGC-UHFFFAOYSA-N 1 1 341.415 0.892 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC000491068713 439327691 /nfs/dbraw/zinc/32/76/91/439327691.db2.gz QFMSTPUCSMELQX-UHFFFAOYSA-N 1 1 342.392 0.846 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000491125760 439334080 /nfs/dbraw/zinc/33/40/80/439334080.db2.gz GTQGHIYDLCBKMA-ZIAGYGMSSA-N 1 1 347.381 0.257 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000491125760 439334083 /nfs/dbraw/zinc/33/40/83/439334083.db2.gz GTQGHIYDLCBKMA-ZIAGYGMSSA-N 1 1 347.381 0.257 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000490680224 439287999 /nfs/dbraw/zinc/28/79/99/439287999.db2.gz YWFDMTKSNPKVOT-ZFWWWQNUSA-N 1 1 349.456 0.811 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@](O)(CC#N)C2)CC1=O ZINC000592844408 439288684 /nfs/dbraw/zinc/28/86/84/439288684.db2.gz JOOWKMZKYZFDHZ-IIDMSEBBSA-N 1 1 348.447 0.196 20 30 ECEDMO C#CC[N@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)C1CCCC1 ZINC000490829879 439303172 /nfs/dbraw/zinc/30/31/72/439303172.db2.gz GLCIMKFUJDSWHB-UHFFFAOYSA-N 1 1 334.464 0.097 20 30 ECEDMO CCN1CC[NH+](CC(C)(C)NC(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000598743956 439311447 /nfs/dbraw/zinc/31/14/47/439311447.db2.gz ZCFFNSBURSZCFV-ZDUSSCGKSA-N 1 1 333.440 0.243 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000491231681 439354340 /nfs/dbraw/zinc/35/43/40/439354340.db2.gz VJUWYJGXPMFDOJ-UHFFFAOYSA-N 1 1 343.475 0.665 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000491231681 439354344 /nfs/dbraw/zinc/35/43/44/439354344.db2.gz VJUWYJGXPMFDOJ-UHFFFAOYSA-N 1 1 343.475 0.665 20 30 ECEDMO N#CC1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000569890439 439371034 /nfs/dbraw/zinc/37/10/34/439371034.db2.gz BRWZCXHRVWDJNU-CQSZACIVSA-N 1 1 334.420 0.120 20 30 ECEDMO C#CC(C)(C)[N@@H+](C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000491419685 439379196 /nfs/dbraw/zinc/37/91/96/439379196.db2.gz VTHCTFSFOUOPKK-UHFFFAOYSA-N 1 1 331.482 0.506 20 30 ECEDMO C#CC(C)(C)[N@H+](C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000491419685 439379200 /nfs/dbraw/zinc/37/92/00/439379200.db2.gz VTHCTFSFOUOPKK-UHFFFAOYSA-N 1 1 331.482 0.506 20 30 ECEDMO N#CC1(C[C@@H](O)C[NH+]2CCN(c3ncccn3)CC2)CCOCC1 ZINC000599252750 439401800 /nfs/dbraw/zinc/40/18/00/439401800.db2.gz ZZKASLRNLQMNQX-OAHLLOKOSA-N 1 1 331.420 0.670 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000491683348 439426477 /nfs/dbraw/zinc/42/64/77/439426477.db2.gz XUVJIIQKNSQUAQ-UHFFFAOYSA-N 1 1 336.373 0.700 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O ZINC000491699051 439429835 /nfs/dbraw/zinc/42/98/35/439429835.db2.gz BBQUIGICMMECCZ-CQSZACIVSA-N 1 1 329.466 0.118 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000491711385 439433114 /nfs/dbraw/zinc/43/31/14/439433114.db2.gz ULEFFEKXBPZAFD-SFHVURJKSA-N 1 1 327.428 0.917 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000491741424 439440624 /nfs/dbraw/zinc/44/06/24/439440624.db2.gz FSENJQBLWNCHAH-CYBMUJFWSA-N 1 1 327.384 0.742 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000491765779 439445006 /nfs/dbraw/zinc/44/50/06/439445006.db2.gz FKYQFTDLIIYRBM-CQSZACIVSA-N 1 1 344.481 0.053 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000491774400 439445968 /nfs/dbraw/zinc/44/59/68/439445968.db2.gz WDZQVYQWLMQMSJ-AWEZNQCLSA-N 1 1 325.409 0.163 20 30 ECEDMO C#CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CCS(=O)(=O)C1 ZINC000491775457 439449785 /nfs/dbraw/zinc/44/97/85/439449785.db2.gz BTSOATSROKAJRY-HIFRSBDPSA-N 1 1 335.429 0.403 20 30 ECEDMO N#Cc1cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cnc1C(F)(F)F ZINC000593856915 439477711 /nfs/dbraw/zinc/47/77/11/439477711.db2.gz RANIXUDZGQRIHU-GFCCVEGCSA-N 1 1 340.305 0.863 20 30 ECEDMO N#Cc1cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cnc1C(F)(F)F ZINC000593856915 439477718 /nfs/dbraw/zinc/47/77/18/439477718.db2.gz RANIXUDZGQRIHU-GFCCVEGCSA-N 1 1 340.305 0.863 20 30 ECEDMO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599475072 439482904 /nfs/dbraw/zinc/48/29/04/439482904.db2.gz ZUQBYQBFNHYISR-PBHICJAKSA-N 1 1 340.420 0.712 20 30 ECEDMO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599475072 439482907 /nfs/dbraw/zinc/48/29/07/439482907.db2.gz ZUQBYQBFNHYISR-PBHICJAKSA-N 1 1 340.420 0.712 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000571224601 439484813 /nfs/dbraw/zinc/48/48/13/439484813.db2.gz DBKYTFGERJFUKG-AWEZNQCLSA-N 1 1 330.454 0.263 20 30 ECEDMO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CNCCO3)CC2)c1 ZINC000593919141 439494050 /nfs/dbraw/zinc/49/40/50/439494050.db2.gz PSZNVJBMVLPYCV-QGZVFWFLSA-N 1 1 328.416 0.627 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599543129 439502522 /nfs/dbraw/zinc/50/25/22/439502522.db2.gz LOUOWOJQHYQKGY-ZDUSSCGKSA-N 1 1 325.409 0.252 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000599692596 439538981 /nfs/dbraw/zinc/53/89/81/439538981.db2.gz KOOJSVAYHHZSBU-KBPBESRZSA-N 1 1 344.481 0.256 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000599692596 439538985 /nfs/dbraw/zinc/53/89/85/439538985.db2.gz KOOJSVAYHHZSBU-KBPBESRZSA-N 1 1 344.481 0.256 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000572012254 439550613 /nfs/dbraw/zinc/55/06/13/439550613.db2.gz MSVGVODRMJCGRK-SFHVURJKSA-N 1 1 342.443 0.971 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000572012254 439550615 /nfs/dbraw/zinc/55/06/15/439550615.db2.gz MSVGVODRMJCGRK-SFHVURJKSA-N 1 1 342.443 0.971 20 30 ECEDMO COCCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000599777120 439556472 /nfs/dbraw/zinc/55/64/72/439556472.db2.gz XEWVTVWNLJWGJL-AWEZNQCLSA-N 1 1 348.403 0.772 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000572195510 439563913 /nfs/dbraw/zinc/56/39/13/439563913.db2.gz VUYWBVBQLXLNFZ-KDOFPFPSSA-N 1 1 338.367 0.402 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000572195510 439563916 /nfs/dbraw/zinc/56/39/16/439563916.db2.gz VUYWBVBQLXLNFZ-KDOFPFPSSA-N 1 1 338.367 0.402 20 30 ECEDMO CC(C)[C@H](CNC(=O)NC1CCN(CC#N)CC1)[NH+]1CCOCC1 ZINC000609337246 439565548 /nfs/dbraw/zinc/56/55/48/439565548.db2.gz UPEXFJXTJQDVMX-INIZCTEOSA-N 1 1 337.468 0.630 20 30 ECEDMO CNS(=O)(=O)c1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)ccc1O ZINC000594469682 439566930 /nfs/dbraw/zinc/56/69/30/439566930.db2.gz UCENPAIJMKFGDZ-NSHDSACASA-N 1 1 340.405 0.650 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)n(CCC#N)n1 ZINC000546581440 439570828 /nfs/dbraw/zinc/57/08/28/439570828.db2.gz WGTIHWHHLXUIQR-UHFFFAOYSA-N 1 1 344.419 0.812 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609531343 439572865 /nfs/dbraw/zinc/57/28/65/439572865.db2.gz QUFVLYJHXBTIJZ-QZTJIDSGSA-N 1 1 341.459 0.889 20 30 ECEDMO CN(C(=O)C1(C#N)CCOCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609559500 439575964 /nfs/dbraw/zinc/57/59/64/439575964.db2.gz JNTWCEKUMZJTQJ-MRXNPFEDSA-N 1 1 334.464 0.934 20 30 ECEDMO CN(C(=O)C1(C#N)CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609559500 439575970 /nfs/dbraw/zinc/57/59/70/439575970.db2.gz JNTWCEKUMZJTQJ-MRXNPFEDSA-N 1 1 334.464 0.934 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 ZINC000584663633 439606548 /nfs/dbraw/zinc/60/65/48/439606548.db2.gz IBCMSCZSQWXPQE-ZIAGYGMSSA-N 1 1 328.420 0.727 20 30 ECEDMO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000600071034 439608855 /nfs/dbraw/zinc/60/88/55/439608855.db2.gz UDRBVPFPKWWXBT-LLVKDONJSA-N 1 1 336.779 0.333 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCCO)ncc1C#N ZINC000572897520 439616009 /nfs/dbraw/zinc/61/60/09/439616009.db2.gz NLMYCHZEHKWUGS-CQSZACIVSA-N 1 1 345.403 0.163 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000572959606 439617748 /nfs/dbraw/zinc/61/77/48/439617748.db2.gz ZXSNVEBBDONQPB-MRXNPFEDSA-N 1 1 328.416 0.969 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000610684686 439638219 /nfs/dbraw/zinc/63/82/19/439638219.db2.gz XOAACGGCEFIFAY-UONOGXRCSA-N 1 1 343.435 0.663 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000585714536 439644808 /nfs/dbraw/zinc/64/48/08/439644808.db2.gz ICJWKEGDZVRPTM-WOSRLPQWSA-N 1 1 344.415 0.571 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000585714536 439644810 /nfs/dbraw/zinc/64/48/10/439644810.db2.gz ICJWKEGDZVRPTM-WOSRLPQWSA-N 1 1 344.415 0.571 20 30 ECEDMO CCOC[C@H](O)C[NH+]1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000586775313 439660608 /nfs/dbraw/zinc/66/06/08/439660608.db2.gz LOQXZMVGODYGKA-OAHLLOKOSA-N 1 1 349.406 0.781 20 30 ECEDMO CN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000611522718 439702830 /nfs/dbraw/zinc/70/28/30/439702830.db2.gz XXTKXAQBMPLKIM-UHFFFAOYSA-N 1 1 329.404 0.203 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCCC1 ZINC000595383736 439717943 /nfs/dbraw/zinc/71/79/43/439717943.db2.gz DWHCFHVWNFIGAI-HNNXBMFYSA-N 1 1 341.477 0.931 20 30 ECEDMO N#Cc1cnn(-c2ccc(C(=O)NCC[N@H+]3CC[C@@H](O)C3)cc2)c1N ZINC000600529926 439674993 /nfs/dbraw/zinc/67/49/93/439674993.db2.gz DSPSPQKASRDKSE-OAHLLOKOSA-N 1 1 340.387 0.123 20 30 ECEDMO CN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000611301901 439689071 /nfs/dbraw/zinc/68/90/71/439689071.db2.gz APHIEOOPESJBQL-UHFFFAOYSA-N 1 1 335.452 0.972 20 30 ECEDMO N#CC1(C[C@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)CCOCC1 ZINC000600740623 439697171 /nfs/dbraw/zinc/69/71/71/439697171.db2.gz ZNRLDFPQEUZTCS-JKSUJKDBSA-N 1 1 325.453 0.494 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(CC[N@H+](C[C@H](C)O)C3)C2)nn1 ZINC001041732278 782077748 /nfs/dbraw/zinc/07/77/48/782077748.db2.gz GZQBFURWRAFKBR-WMLDXEAASA-N 1 1 333.436 0.773 20 30 ECEDMO C=CCCn1cc(CN[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nn1 ZINC000641786499 439915231 /nfs/dbraw/zinc/91/52/31/439915231.db2.gz FSTJZUMXKUWKMX-QGZVFWFLSA-N 1 1 348.495 0.740 20 30 ECEDMO C=CCCn1cc(CN[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nn1 ZINC000641786499 439915237 /nfs/dbraw/zinc/91/52/37/439915237.db2.gz FSTJZUMXKUWKMX-QGZVFWFLSA-N 1 1 348.495 0.740 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1=O ZINC000654309632 440295546 /nfs/dbraw/zinc/29/55/46/440295546.db2.gz CAMIPBJVMXRGGG-CHWSQXEVSA-N 1 1 348.403 0.096 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000659535303 440356671 /nfs/dbraw/zinc/35/66/71/440356671.db2.gz ZRLRQDNZJMPGIY-INIZCTEOSA-N 1 1 336.480 0.649 20 30 ECEDMO C=C(C)[C@H](CO)[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000649381289 440488595 /nfs/dbraw/zinc/48/85/95/440488595.db2.gz HAVSWCIBFPHFOF-INIZCTEOSA-N 1 1 328.420 0.717 20 30 ECEDMO COCC#CC[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000650279112 440615682 /nfs/dbraw/zinc/61/56/82/440615682.db2.gz PEADTHSJFQHQTE-UHFFFAOYSA-N 1 1 330.381 0.434 20 30 ECEDMO C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[NH+](CCOC)CC1 ZINC000634338431 440643835 /nfs/dbraw/zinc/64/38/35/440643835.db2.gz ZDLUWZCOAVTQAO-UHFFFAOYSA-N 1 1 345.451 0.855 20 30 ECEDMO C=CCn1c(Cc2cc(C)n[nH]2)nnc1N1CC[NH+](CCOC)CC1 ZINC000634338431 440643840 /nfs/dbraw/zinc/64/38/40/440643840.db2.gz ZDLUWZCOAVTQAO-UHFFFAOYSA-N 1 1 345.451 0.855 20 30 ECEDMO C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000634337704 440644476 /nfs/dbraw/zinc/64/44/76/440644476.db2.gz HJKGLVUXTRRKFU-OAHLLOKOSA-N 1 1 343.435 0.607 20 30 ECEDMO C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000634337704 440644482 /nfs/dbraw/zinc/64/44/82/440644482.db2.gz HJKGLVUXTRRKFU-OAHLLOKOSA-N 1 1 343.435 0.607 20 30 ECEDMO C=CCn1c(COC)nnc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000634340947 440645965 /nfs/dbraw/zinc/64/59/65/440645965.db2.gz FNHWNVPRCDEDRU-UHFFFAOYSA-N 1 1 343.435 0.765 20 30 ECEDMO O=C(NCC#CCO)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635900861 441029175 /nfs/dbraw/zinc/02/91/75/441029175.db2.gz XPRPFQKJPWIRRC-IEBWSBKVSA-N 1 1 328.412 0.637 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001041736237 782086447 /nfs/dbraw/zinc/08/64/47/782086447.db2.gz NCQQCVOGXCDISQ-VDZJLULYSA-N 1 1 349.475 0.980 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC(=O)N(C3CC3)C2)nc1 ZINC000577384811 322833678 /nfs/dbraw/zinc/83/36/78/322833678.db2.gz BFGKQJUMIILTEX-GFCCVEGCSA-N 1 1 334.401 0.080 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078006021 782120057 /nfs/dbraw/zinc/12/00/57/782120057.db2.gz PWJLFKODNRWPGS-APHBMKBZSA-N 1 1 348.472 0.623 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001041755523 782134574 /nfs/dbraw/zinc/13/45/74/782134574.db2.gz PLQZWZKDYFXECM-SFHVURJKSA-N 1 1 344.415 0.686 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(N4CCOCC4)CCC3)C2)C1 ZINC001041764917 782155775 /nfs/dbraw/zinc/15/57/75/782155775.db2.gz GAXUPRVWDDJTFF-SFHVURJKSA-N 1 1 331.460 0.799 20 30 ECEDMO C[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1CCO ZINC000187678411 534477430 /nfs/dbraw/zinc/47/74/30/534477430.db2.gz RWYNXBPXBKUJTG-TZMCWYRMSA-N 1 1 334.445 0.723 20 30 ECEDMO C[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[N@H+]1CCO ZINC000187678411 534477435 /nfs/dbraw/zinc/47/74/35/534477435.db2.gz RWYNXBPXBKUJTG-TZMCWYRMSA-N 1 1 334.445 0.723 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)[N@H+](C)C1 ZINC000329038062 546012630 /nfs/dbraw/zinc/01/26/30/546012630.db2.gz RWJCTXPMTGNIPD-AVGNSLFASA-N 1 1 335.408 0.591 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)[N@@H+](C)C1 ZINC000329038062 546012632 /nfs/dbraw/zinc/01/26/32/546012632.db2.gz RWJCTXPMTGNIPD-AVGNSLFASA-N 1 1 335.408 0.591 20 30 ECEDMO C[C@H]1OCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329227733 546017730 /nfs/dbraw/zinc/01/77/30/546017730.db2.gz IHPQBGABNCKKFY-RBSFLKMASA-N 1 1 339.436 0.834 20 30 ECEDMO C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000329436235 546024069 /nfs/dbraw/zinc/02/40/69/546024069.db2.gz JUCQEBORIDUSQN-KBPBESRZSA-N 1 1 326.441 0.612 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(N3CCNC3=O)CC2)C1 ZINC000329631822 546030085 /nfs/dbraw/zinc/03/00/85/546030085.db2.gz WQECITHQTSIPPI-CYBMUJFWSA-N 1 1 339.440 0.315 20 30 ECEDMO N#CC1CCC(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333752313 546063495 /nfs/dbraw/zinc/06/34/95/546063495.db2.gz KDIISFZLGQJGDK-UYSNPLJNSA-N 1 1 347.463 0.922 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000619749420 546366233 /nfs/dbraw/zinc/36/62/33/546366233.db2.gz SLZOZYPZUILDRF-HUUCEWRRSA-N 1 1 344.481 0.652 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1O ZINC001078027744 782169726 /nfs/dbraw/zinc/16/97/26/782169726.db2.gz GNFBDWBEQDBQDT-HZPDHXFCSA-N 1 1 329.400 0.835 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1O ZINC001078027744 782169733 /nfs/dbraw/zinc/16/97/33/782169733.db2.gz GNFBDWBEQDBQDT-HZPDHXFCSA-N 1 1 329.400 0.835 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccccc2OCC#N)CC1 ZINC000750733497 579357923 /nfs/dbraw/zinc/35/79/23/579357923.db2.gz CBCSQEIUZGMXGP-UHFFFAOYSA-N 1 1 330.388 0.483 20 30 ECEDMO C#CCOCCNC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000753376072 579399865 /nfs/dbraw/zinc/39/98/65/579399865.db2.gz BYEOYZJRIVUPAY-CALCHBBNSA-N 1 1 336.480 0.836 20 30 ECEDMO COc1cc(C)nc(N=NCc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000755752469 579438514 /nfs/dbraw/zinc/43/85/14/579438514.db2.gz GGZCFPAODYWHGU-UHFFFAOYSA-N 1 1 342.407 0.781 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cnn(CC#N)c2)CC1=O ZINC000729627039 578297544 /nfs/dbraw/zinc/29/75/44/578297544.db2.gz GSSUCIYEIFZFKD-UKRRQHHQSA-N 1 1 344.419 0.678 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1CC[NH+](Cc2ccccn2)CC1 ZINC000731927088 578317656 /nfs/dbraw/zinc/31/76/56/578317656.db2.gz MKYJYCUHFGGYTM-UHFFFAOYSA-N 1 1 334.449 0.244 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735429706 578384317 /nfs/dbraw/zinc/38/43/17/578384317.db2.gz VWHNQDVKXFHGCX-UHFFFAOYSA-N 1 1 348.432 0.795 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCO1 ZINC000793913132 578566335 /nfs/dbraw/zinc/56/63/35/578566335.db2.gz QAHVHDSZBWQAKR-BPKGMFCQSA-N 1 1 349.475 0.766 20 30 ECEDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000780936108 578703133 /nfs/dbraw/zinc/70/31/33/578703133.db2.gz AYBUQNGGSYMRRT-QGZVFWFLSA-N 1 1 330.432 0.688 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780939196 578703192 /nfs/dbraw/zinc/70/31/92/578703192.db2.gz HZPIGQVSAKBQLH-CRAIPNDOSA-N 1 1 344.459 0.981 20 30 ECEDMO C[N@H+]1CCCN(CCCNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780939012 578703304 /nfs/dbraw/zinc/70/33/04/578703304.db2.gz GPDHLKNKLGJHDM-QGZVFWFLSA-N 1 1 330.432 0.735 20 30 ECEDMO CN1CCC[N@H+](CCCNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780939012 578703306 /nfs/dbraw/zinc/70/33/06/578703306.db2.gz GPDHLKNKLGJHDM-QGZVFWFLSA-N 1 1 330.432 0.735 20 30 ECEDMO CN1CCC[N@@H+](CCCNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780939012 578703307 /nfs/dbraw/zinc/70/33/07/578703307.db2.gz GPDHLKNKLGJHDM-QGZVFWFLSA-N 1 1 330.432 0.735 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780982960 578704101 /nfs/dbraw/zinc/70/41/01/578704101.db2.gz IHGKDUHCEHAHFJ-HNNXBMFYSA-N 1 1 325.372 0.674 20 30 ECEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000782667566 578730757 /nfs/dbraw/zinc/73/07/57/578730757.db2.gz VCPLYGJHZGXUIG-AWEZNQCLSA-N 1 1 332.408 0.678 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000784771260 578757238 /nfs/dbraw/zinc/75/72/38/578757238.db2.gz XHJUBPBFMXYQSZ-UHFFFAOYSA-N 1 1 325.372 0.722 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)CC(C)(C)C#N)C1 ZINC000785097714 578763405 /nfs/dbraw/zinc/76/34/05/578763405.db2.gz UVZGVXLPKNYKOD-AWEZNQCLSA-N 1 1 339.436 0.942 20 30 ECEDMO C#CCCCNC(=O)C(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000786597402 578789992 /nfs/dbraw/zinc/78/99/92/578789992.db2.gz HCYJTNMXYIZQTL-MRXNPFEDSA-N 1 1 337.464 0.769 20 30 ECEDMO Cc1nc(C)c(C=NNC(=S)NCCC[NH+]2CCOCC2)o1 ZINC000792906710 578917195 /nfs/dbraw/zinc/91/71/95/578917195.db2.gz SIMJBOYRBSRNIY-UHFFFAOYSA-N 1 1 325.438 0.812 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000769610451 579148599 /nfs/dbraw/zinc/14/85/99/579148599.db2.gz DHNOMVCAIZUQAP-PFONDFGASA-N 1 1 335.408 0.250 20 30 ECEDMO C[C@H](NC(=O)NCCNc1ccc(C#N)cn1)[C@H]1C[N@H+](C)CCO1 ZINC000769974276 579157006 /nfs/dbraw/zinc/15/70/06/579157006.db2.gz UJPTYIKENIOZCD-GXTWGEPZSA-N 1 1 332.408 0.383 20 30 ECEDMO C[C@H](NC(=O)NCCNc1ccc(C#N)cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000769974276 579157008 /nfs/dbraw/zinc/15/70/08/579157008.db2.gz UJPTYIKENIOZCD-GXTWGEPZSA-N 1 1 332.408 0.383 20 30 ECEDMO C#C[C@H](NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000773366782 579225947 /nfs/dbraw/zinc/22/59/47/579225947.db2.gz HLXDETDOGZZJAP-ULQDDVLXSA-N 1 1 336.480 0.740 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)[C@H]1CCCO1 ZINC000775791592 579271331 /nfs/dbraw/zinc/27/13/31/579271331.db2.gz MXIHQMLFFGFELG-IAGOWNOFSA-N 1 1 331.416 0.694 20 30 ECEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000776592797 579285426 /nfs/dbraw/zinc/28/54/26/579285426.db2.gz NCVJKQBNQGLWDY-OAHLLOKOSA-N 1 1 335.448 0.427 20 30 ECEDMO Nc1nc(Cl)c(C=[NH+][N-]c2cc[nH+]cc2)c(N2CCOCC2)n1 ZINC000779806973 579321080 /nfs/dbraw/zinc/32/10/80/579321080.db2.gz KHZQATYNPXPMBO-UHFFFAOYSA-N 1 1 333.783 0.812 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000742193751 579781644 /nfs/dbraw/zinc/78/16/44/579781644.db2.gz CCKNYNZADYBVPN-ZDUSSCGKSA-N 1 1 337.445 0.927 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000742193751 579781645 /nfs/dbraw/zinc/78/16/45/579781645.db2.gz CCKNYNZADYBVPN-ZDUSSCGKSA-N 1 1 337.445 0.927 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000743764279 579801919 /nfs/dbraw/zinc/80/19/19/579801919.db2.gz CCUUTDBZCRBNGP-ICSRJNTNSA-N 1 1 341.455 0.837 20 30 ECEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746423223 579838890 /nfs/dbraw/zinc/83/88/90/579838890.db2.gz UMSXESYYWINPHQ-CYBMUJFWSA-N 1 1 332.408 0.535 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000835482714 588911061 /nfs/dbraw/zinc/91/10/61/588911061.db2.gz WPCACOQKGOTSJI-INIZCTEOSA-N 1 1 329.400 0.569 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@]1(c2cnn(C)c2)CCCO1 ZINC000895056426 586158686 /nfs/dbraw/zinc/15/86/86/586158686.db2.gz KPJHBGTWERKGES-KRWDZBQOSA-N 1 1 333.436 0.680 20 30 ECEDMO C#CC1(O)CN(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000891814652 586198171 /nfs/dbraw/zinc/19/81/71/586198171.db2.gz OQHUEWMNGSABBV-UHFFFAOYSA-N 1 1 342.443 0.324 20 30 ECEDMO CN1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC[N@@H+](C)CC1 ZINC000896266016 586231727 /nfs/dbraw/zinc/23/17/27/586231727.db2.gz XIIPDISRKLWQMI-GOSISDBHSA-N 1 1 341.459 0.914 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 ZINC000897293733 586295243 /nfs/dbraw/zinc/29/52/43/586295243.db2.gz DMQYGRCQFUSEDY-AWEZNQCLSA-N 1 1 348.476 0.936 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cn(C)nc1C(C)(C)C ZINC000867311729 589041987 /nfs/dbraw/zinc/04/19/87/589041987.db2.gz PZZUUMCXNNPXCP-UHFFFAOYSA-N 1 1 326.466 0.951 20 30 ECEDMO C#C[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893054466 586308333 /nfs/dbraw/zinc/30/83/33/586308333.db2.gz XUHWWUYIUQZAES-SJORKVTESA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC1(O)CN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000893168133 586314397 /nfs/dbraw/zinc/31/43/97/586314397.db2.gz KXQPEBWMRFZDLY-RDJZCZTQSA-N 1 1 343.427 0.665 20 30 ECEDMO C#CC1(O)CN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000893168133 586314398 /nfs/dbraw/zinc/31/43/98/586314398.db2.gz KXQPEBWMRFZDLY-RDJZCZTQSA-N 1 1 343.427 0.665 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2OC)CC1 ZINC000899139611 586473604 /nfs/dbraw/zinc/47/36/04/586473604.db2.gz KUBSONQGZAVBKY-UHFFFAOYSA-N 1 1 330.388 0.461 20 30 ECEDMO C=CCN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000900309579 586537562 /nfs/dbraw/zinc/53/75/62/586537562.db2.gz FWBHAUBSUKHARK-UKRRQHHQSA-N 1 1 330.450 0.035 20 30 ECEDMO C=CCN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000900309579 586537564 /nfs/dbraw/zinc/53/75/64/586537564.db2.gz FWBHAUBSUKHARK-UKRRQHHQSA-N 1 1 330.450 0.035 20 30 ECEDMO C=CCN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000900309576 586537680 /nfs/dbraw/zinc/53/76/80/586537680.db2.gz FWBHAUBSUKHARK-DZGCQCFKSA-N 1 1 330.450 0.035 20 30 ECEDMO C=CCN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000900309576 586537681 /nfs/dbraw/zinc/53/76/81/586537681.db2.gz FWBHAUBSUKHARK-DZGCQCFKSA-N 1 1 330.450 0.035 20 30 ECEDMO CC(C)N1CC[NH+](CCCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000900670808 586654287 /nfs/dbraw/zinc/65/42/87/586654287.db2.gz FKAJLZBPPJRDCQ-GOSISDBHSA-N 1 1 347.507 0.991 20 30 ECEDMO CC(C)N1CC[NH+](CCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000900670809 586654436 /nfs/dbraw/zinc/65/44/36/586654436.db2.gz FKAJLZBPPJRDCQ-SFHVURJKSA-N 1 1 347.507 0.991 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc(C#CCO)c1 ZINC000907456520 586721978 /nfs/dbraw/zinc/72/19/78/586721978.db2.gz NISIKYWLCLYKJT-MRXNPFEDSA-N 1 1 329.444 0.786 20 30 ECEDMO COC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)cc1OC ZINC000903599819 586794599 /nfs/dbraw/zinc/79/45/99/586794599.db2.gz AVTVZYRYQKBSKP-GFCCVEGCSA-N 1 1 325.390 0.176 20 30 ECEDMO COC(=O)[C@]12C[N@@H+](Cc3cnc4c(C#N)cnn4c3)C[C@H]1COCC2 ZINC000843407831 589066237 /nfs/dbraw/zinc/06/62/37/589066237.db2.gz YWHBGPBXLCTWQR-WMLDXEAASA-N 1 1 341.371 0.612 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1 ZINC000905448181 586892803 /nfs/dbraw/zinc/89/28/03/586892803.db2.gz AJFHCLJCGAXPRT-OAHLLOKOSA-N 1 1 347.440 0.932 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@@H]2CCCC[N@@H+]2C)c1=O ZINC000906500027 586951678 /nfs/dbraw/zinc/95/16/78/586951678.db2.gz JMZOEGCTUMIIKQ-AWEZNQCLSA-N 1 1 334.420 0.418 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000906510203 586951914 /nfs/dbraw/zinc/95/19/14/586951914.db2.gz FWNRRJAMMDYDPW-XHSDSOJGSA-N 1 1 335.448 0.908 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000906510202 586951921 /nfs/dbraw/zinc/95/19/21/586951921.db2.gz FWNRRJAMMDYDPW-JYJNAYRXSA-N 1 1 335.448 0.908 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906578440 586956469 /nfs/dbraw/zinc/95/64/69/586956469.db2.gz AAPICPANAVVNJH-KRWDZBQOSA-N 1 1 348.491 0.392 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)[C@]2(C#N)CC3CCC2CC3)CC1 ZINC000906671766 586964023 /nfs/dbraw/zinc/96/40/23/586964023.db2.gz ILZMCGGQNKSKRZ-JMLCCBQJSA-N 1 1 332.448 0.987 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)cn1 ZINC000906911960 586992867 /nfs/dbraw/zinc/99/28/67/586992867.db2.gz LYGDBHGEZQYKHQ-UHFFFAOYSA-N 1 1 325.438 0.067 20 30 ECEDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCO[C@H](C)C#N)C1 ZINC000801916799 587005840 /nfs/dbraw/zinc/00/58/40/587005840.db2.gz FMYIJOSROPQONH-KGLIPLIRSA-N 1 1 325.409 0.649 20 30 ECEDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CCO[C@H](C)C#N)C1 ZINC000801916799 587005843 /nfs/dbraw/zinc/00/58/43/587005843.db2.gz FMYIJOSROPQONH-KGLIPLIRSA-N 1 1 325.409 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000804387379 587084510 /nfs/dbraw/zinc/08/45/10/587084510.db2.gz YCOVROFBSSWYQS-CVEARBPZSA-N 1 1 332.448 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000804387379 587084512 /nfs/dbraw/zinc/08/45/12/587084512.db2.gz YCOVROFBSSWYQS-CVEARBPZSA-N 1 1 332.448 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000806716535 587106345 /nfs/dbraw/zinc/10/63/45/587106345.db2.gz UYQXPSXBOULSSO-MRXNPFEDSA-N 1 1 326.400 0.617 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@@H](C3CC3)C2)c1=O ZINC000808230680 587150573 /nfs/dbraw/zinc/15/05/73/587150573.db2.gz NMZCMUZJGNGGFY-OAHLLOKOSA-N 1 1 346.431 0.623 20 30 ECEDMO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH+]1CCN(CCC#N)CC1 ZINC000809967638 587187050 /nfs/dbraw/zinc/18/70/50/587187050.db2.gz DQRZHGMCHHSOAX-MRXNPFEDSA-N 1 1 326.441 0.793 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)CCCC#N)C1 ZINC000812616701 587240139 /nfs/dbraw/zinc/24/01/39/587240139.db2.gz MIGLJNDINPBBBK-AWEZNQCLSA-N 1 1 325.409 0.696 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1F ZINC000813659620 587258893 /nfs/dbraw/zinc/25/88/93/587258893.db2.gz ICRFAUROQQBCJS-STQMWFEESA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC000813659620 587258894 /nfs/dbraw/zinc/25/88/94/587258894.db2.gz ICRFAUROQQBCJS-STQMWFEESA-N 1 1 339.392 0.839 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1c(CC)nn(C)c1CC ZINC000815083212 587282329 /nfs/dbraw/zinc/28/23/29/587282329.db2.gz QUHQOXRZQHSOHB-UHFFFAOYSA-N 1 1 326.466 0.778 20 30 ECEDMO N#CCOc1ccc(CC(=O)N2CC(C[NH+]3CCOCC3)C2)cc1 ZINC000816713291 587320616 /nfs/dbraw/zinc/32/06/16/587320616.db2.gz JLMVJLAUVGKXAO-UHFFFAOYSA-N 1 1 329.400 0.922 20 30 ECEDMO N#Cc1ccncc1N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000816994028 587331438 /nfs/dbraw/zinc/33/14/38/587331438.db2.gz CHTNOUUOKKLJIN-UHFFFAOYSA-N 1 1 329.404 0.324 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000818603124 587440341 /nfs/dbraw/zinc/44/03/41/587440341.db2.gz OFEJSRJDPUMWOF-UHFFFAOYSA-N 1 1 328.372 0.575 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cn(-c2ccc(OC)cc2)nn1 ZINC000820688026 587549949 /nfs/dbraw/zinc/54/99/49/587549949.db2.gz HXVDPIHAMZFJIY-UHFFFAOYSA-N 1 1 327.388 0.961 20 30 ECEDMO C=CCCn1cc(C(=O)O[C@@H](C)C(=O)N2CC[NH+](CC)CC2)nn1 ZINC000820987010 587566977 /nfs/dbraw/zinc/56/69/77/587566977.db2.gz DMHRWFWCDWHVBV-ZDUSSCGKSA-N 1 1 335.408 0.564 20 30 ECEDMO CON=C(C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1)c1csc(N)n1 ZINC000822489918 587662080 /nfs/dbraw/zinc/66/20/80/587662080.db2.gz KDBDYVACEXEKSS-GXSJLCMTSA-N 1 1 341.412 0.721 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000825285592 587929086 /nfs/dbraw/zinc/92/90/86/587929086.db2.gz BLAJALCHYNPINT-UHFFFAOYSA-N 1 1 339.399 0.886 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](C#N)CCC#N ZINC000825933362 587974191 /nfs/dbraw/zinc/97/41/91/587974191.db2.gz CKQRIWHDNXNRGF-JTQLQIEISA-N 1 1 328.384 0.480 20 30 ECEDMO C#CCN(CC(=O)N1CC[NH+](C[C@H](C)O)CC1)C(=O)OC(C)(C)C ZINC000826646552 588075274 /nfs/dbraw/zinc/07/52/74/588075274.db2.gz HIGIMMYCIJUSSB-AWEZNQCLSA-N 1 1 339.436 0.382 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000827276246 588109641 /nfs/dbraw/zinc/10/96/41/588109641.db2.gz BVWTZSYIAVJGDI-HZPDHXFCSA-N 1 1 326.400 0.841 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000829656625 588333789 /nfs/dbraw/zinc/33/37/89/588333789.db2.gz WYHQUOGVVUVOEH-KRWDZBQOSA-N 1 1 325.412 0.831 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000829656625 588333791 /nfs/dbraw/zinc/33/37/91/588333791.db2.gz WYHQUOGVVUVOEH-KRWDZBQOSA-N 1 1 325.412 0.831 20 30 ECEDMO N#Cc1c(F)cccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000831804155 588450580 /nfs/dbraw/zinc/45/05/80/588450580.db2.gz ADNFWIFHHAGQPP-GFCCVEGCSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1c(F)cccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000831804155 588450582 /nfs/dbraw/zinc/45/05/82/588450582.db2.gz ADNFWIFHHAGQPP-GFCCVEGCSA-N 1 1 341.408 0.822 20 30 ECEDMO COC(=O)CN(C)C(=O)CC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370846 589109336 /nfs/dbraw/zinc/10/93/36/589109336.db2.gz UQKAHEWNXHMQMZ-OAHLLOKOSA-N 1 1 333.388 0.545 20 30 ECEDMO N#CCCNC(=O)CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000844399810 589110406 /nfs/dbraw/zinc/11/04/06/589110406.db2.gz GYIJMEXJELBHNI-ZWKOTPCHSA-N 1 1 342.443 0.992 20 30 ECEDMO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000844968171 589127108 /nfs/dbraw/zinc/12/71/08/589127108.db2.gz NJVURXLXVQBYEO-IAGOWNOFSA-N 1 1 345.447 0.479 20 30 ECEDMO C#C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000847307753 589241299 /nfs/dbraw/zinc/24/12/99/589241299.db2.gz YHYXGIQQONJRKV-HZPDHXFCSA-N 1 1 334.464 0.984 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ncc1C#N ZINC000847489497 589251415 /nfs/dbraw/zinc/25/14/15/589251415.db2.gz OQDRJEASBBIKJQ-UONOGXRCSA-N 1 1 343.387 0.180 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CC2(C#N)CCOCC2)CC1 ZINC000850296619 589363570 /nfs/dbraw/zinc/36/35/70/589363570.db2.gz QHQPAETYSMBLPM-AWEZNQCLSA-N 1 1 337.420 0.793 20 30 ECEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](CCO)CCCO ZINC000109798922 589396299 /nfs/dbraw/zinc/39/62/99/589396299.db2.gz VILCGJGWGZZYOC-AWEZNQCLSA-N 1 1 340.383 0.900 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852249425 589452891 /nfs/dbraw/zinc/45/28/91/589452891.db2.gz BVFBDWOWULZGIK-AWEZNQCLSA-N 1 1 345.465 0.140 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000852750697 589510241 /nfs/dbraw/zinc/51/02/41/589510241.db2.gz CGJPZBWRWRTRSW-UHFFFAOYSA-N 1 1 333.432 0.896 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000852750697 589510243 /nfs/dbraw/zinc/51/02/43/589510243.db2.gz CGJPZBWRWRTRSW-UHFFFAOYSA-N 1 1 333.432 0.896 20 30 ECEDMO Cc1cc(N2C[C@@H]3C[C@]3(CO)C2)c(C#N)c(N2C[C@@H]3C[C@]3(CO)C2)[nH+]1 ZINC000853515169 589545470 /nfs/dbraw/zinc/54/54/70/589545470.db2.gz UBPOESXGZBQOBE-YXUGBTPSSA-N 1 1 340.427 0.899 20 30 ECEDMO CCN1CC[C@@H](O[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000853672569 589554422 /nfs/dbraw/zinc/55/44/22/589554422.db2.gz IDRYQHNFBKLQFT-MRXNPFEDSA-N 1 1 346.431 0.905 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000855166269 589622338 /nfs/dbraw/zinc/62/23/38/589622338.db2.gz HKZDVAWTHAMQDI-IUDBQGPFSA-N 1 1 334.420 0.892 20 30 ECEDMO CCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@@H+](CC)C1 ZINC000855492197 589633540 /nfs/dbraw/zinc/63/35/40/589633540.db2.gz WVKFOEBAKOMRHV-VLUKHXRESA-N 1 1 334.420 0.846 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000860106676 589745241 /nfs/dbraw/zinc/74/52/41/589745241.db2.gz OSYJKRDQOQBHSA-UHFFFAOYSA-N 1 1 336.439 0.888 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000860106676 589745244 /nfs/dbraw/zinc/74/52/44/589745244.db2.gz OSYJKRDQOQBHSA-UHFFFAOYSA-N 1 1 336.439 0.888 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000862191736 589929545 /nfs/dbraw/zinc/92/95/45/589929545.db2.gz FXVKTMMGZAZEPM-ZDUSSCGKSA-N 1 1 341.371 0.750 20 30 ECEDMO CCOC(=O)Cn1cc(C=NNC2=[NH+]CCN2)c(-c2ccccc2)n1 ZINC000872386000 590115551 /nfs/dbraw/zinc/11/55/51/590115551.db2.gz XAUXUHGNNBNCCO-UHFFFAOYSA-N 1 1 340.387 0.996 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000873024317 590179839 /nfs/dbraw/zinc/17/98/39/590179839.db2.gz NZHOJDYOYQTXPG-GJZGRUSLSA-N 1 1 339.436 0.503 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1C#N ZINC000874174454 590224267 /nfs/dbraw/zinc/22/42/67/590224267.db2.gz KSMWCUQGQTUGGP-KGLIPLIRSA-N 1 1 327.388 0.753 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000874382366 590237136 /nfs/dbraw/zinc/23/71/36/590237136.db2.gz BSNUCBURYKTYFV-UHFFFAOYSA-N 1 1 345.447 0.290 20 30 ECEDMO COCCOCC[N@@H+](C)CCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000874460135 590241677 /nfs/dbraw/zinc/24/16/77/590241677.db2.gz DHORHTJOZXWNPQ-INIZCTEOSA-N 1 1 338.452 0.170 20 30 ECEDMO C[N@H+]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CCC1(C)C ZINC000875184636 590279436 /nfs/dbraw/zinc/27/94/36/590279436.db2.gz PQAPYPIURQDQBN-UHFFFAOYSA-N 1 1 335.452 0.033 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879718241 590337180 /nfs/dbraw/zinc/33/71/80/590337180.db2.gz FANLXNMGSIKOFA-NVXWUHKLSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879718241 590337183 /nfs/dbraw/zinc/33/71/83/590337183.db2.gz FANLXNMGSIKOFA-NVXWUHKLSA-N 1 1 342.399 0.866 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000879973292 590357653 /nfs/dbraw/zinc/35/76/53/590357653.db2.gz XMXFSGHLDBULGA-PMPSAXMXSA-N 1 1 335.448 0.258 20 30 ECEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](CCO)CCN1CCOCC1 ZINC000876624938 590393053 /nfs/dbraw/zinc/39/30/53/590393053.db2.gz UFDGFMAIPLFJQD-UHFFFAOYSA-N 1 1 332.448 0.751 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000876660657 590396026 /nfs/dbraw/zinc/39/60/26/590396026.db2.gz XPDMAFIZRCAUNK-UKRRQHHQSA-N 1 1 333.413 0.438 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880527734 590399771 /nfs/dbraw/zinc/39/97/71/590399771.db2.gz UOUYPMLRCYCEDV-YSVLISHTSA-N 1 1 329.400 0.898 20 30 ECEDMO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000876781899 590414251 /nfs/dbraw/zinc/41/42/51/590414251.db2.gz QZTUXHMSNVXVRO-CQSZACIVSA-N 1 1 337.855 0.920 20 30 ECEDMO CCN(CCS(C)(=O)=O)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876893238 590423591 /nfs/dbraw/zinc/42/35/91/590423591.db2.gz YIDVWBFSOAFZBX-HNNXBMFYSA-N 1 1 335.429 0.638 20 30 ECEDMO COCC[NH2+]C1CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876944674 590428739 /nfs/dbraw/zinc/42/87/39/590428739.db2.gz OSMJCHHJKYNPDH-SFHVURJKSA-N 1 1 342.443 0.972 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)CC1 ZINC000128926824 590446375 /nfs/dbraw/zinc/44/63/75/590446375.db2.gz PDNLKBIZSRGOSM-UHFFFAOYSA-N 1 1 338.415 0.816 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878049752 590494346 /nfs/dbraw/zinc/49/43/46/590494346.db2.gz MNSJXBLXPFUCPD-INIZCTEOSA-N 1 1 335.448 0.082 20 30 ECEDMO C=CC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCC(=O)OCC)CC1 ZINC000878286804 590512514 /nfs/dbraw/zinc/51/25/14/590512514.db2.gz NHCYZYMHEFIGJW-ZDUSSCGKSA-N 1 1 326.393 0.495 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC)cc1 ZINC000882481746 590553703 /nfs/dbraw/zinc/55/37/03/590553703.db2.gz UVKWWKXAOVFGNU-CQSZACIVSA-N 1 1 337.445 0.975 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+]2CC)c1 ZINC000882481468 590553735 /nfs/dbraw/zinc/55/37/35/590553735.db2.gz RUOWMYQCUNQYJU-CQSZACIVSA-N 1 1 337.445 0.975 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879085022 590563756 /nfs/dbraw/zinc/56/37/56/590563756.db2.gz ZUVAPSYDBKXVEP-OLZOCXBDSA-N 1 1 329.441 0.837 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879085022 590563759 /nfs/dbraw/zinc/56/37/59/590563759.db2.gz ZUVAPSYDBKXVEP-OLZOCXBDSA-N 1 1 329.441 0.837 20 30 ECEDMO C#CCCCS(=O)(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882799660 590586095 /nfs/dbraw/zinc/58/60/95/590586095.db2.gz KDJXILUWHVSSDJ-INIZCTEOSA-N 1 1 343.493 0.116 20 30 ECEDMO C#CCCCS(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882799660 590586097 /nfs/dbraw/zinc/58/60/97/590586097.db2.gz KDJXILUWHVSSDJ-INIZCTEOSA-N 1 1 343.493 0.116 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000884085350 590736374 /nfs/dbraw/zinc/73/63/74/590736374.db2.gz RUEPSOBGBUWGRS-JKSUJKDBSA-N 1 1 342.447 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000884085350 590736378 /nfs/dbraw/zinc/73/63/78/590736378.db2.gz RUEPSOBGBUWGRS-JKSUJKDBSA-N 1 1 342.447 0.842 20 30 ECEDMO N#Cc1ccc([C@@H](O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000885879491 590776135 /nfs/dbraw/zinc/77/61/35/590776135.db2.gz IFBJOHXXRKVEGN-DLBZAZTESA-N 1 1 329.400 0.961 20 30 ECEDMO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN([C@H]3CCC[C@@H]3O)CC1)C2 ZINC000884211515 590777006 /nfs/dbraw/zinc/77/70/06/590777006.db2.gz GSTZPSXEHKAKAM-PLQZLIEUSA-N 1 1 332.448 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCCCS(C)(=O)=O)C1 ZINC000884275979 590793219 /nfs/dbraw/zinc/79/32/19/590793219.db2.gz BPKNSPFSMZVBQJ-CQSZACIVSA-N 1 1 329.466 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCCS(C)(=O)=O)C1 ZINC000884275979 590793224 /nfs/dbraw/zinc/79/32/24/590793224.db2.gz BPKNSPFSMZVBQJ-CQSZACIVSA-N 1 1 329.466 0.598 20 30 ECEDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886201531 590811163 /nfs/dbraw/zinc/81/11/63/590811163.db2.gz IAMKQWYKJIZUNA-UONOGXRCSA-N 1 1 329.466 0.787 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC000886212511 590816102 /nfs/dbraw/zinc/81/61/02/590816102.db2.gz YDYQKXVKKFIGEW-SQWLQELKSA-N 1 1 339.461 0.505 20 30 ECEDMO C#CCC1(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCC1 ZINC000886791398 590883371 /nfs/dbraw/zinc/88/33/71/590883371.db2.gz HSOICMTYLJEZNA-INIZCTEOSA-N 1 1 347.459 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(OCC(N)=O)cc2)C1 ZINC000887675905 590991166 /nfs/dbraw/zinc/99/11/66/590991166.db2.gz MOUPKQOSDPPWSX-AWEZNQCLSA-N 1 1 330.388 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OCC(N)=O)cc2)C1 ZINC000887675905 590991168 /nfs/dbraw/zinc/99/11/68/590991168.db2.gz MOUPKQOSDPPWSX-AWEZNQCLSA-N 1 1 330.388 0.770 20 30 ECEDMO CN1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+](C)CC1 ZINC000888984942 591036025 /nfs/dbraw/zinc/03/60/25/591036025.db2.gz FSRABJNYZGSXRW-SFHVURJKSA-N 1 1 339.443 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1 ZINC000889731436 591073170 /nfs/dbraw/zinc/07/31/70/591073170.db2.gz KHYHZMVEMRKNAA-ZDUSSCGKSA-N 1 1 345.403 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1 ZINC000889731436 591073174 /nfs/dbraw/zinc/07/31/74/591073174.db2.gz KHYHZMVEMRKNAA-ZDUSSCGKSA-N 1 1 345.403 0.181 20 30 ECEDMO Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cnn1CCC#N ZINC000889775274 591092377 /nfs/dbraw/zinc/09/23/77/591092377.db2.gz VCQGUBPZPSALJS-HOTGVXAUSA-N 1 1 331.420 0.776 20 30 ECEDMO N#CCc1cccc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)n1 ZINC000889863669 591107888 /nfs/dbraw/zinc/10/78/88/591107888.db2.gz KNUQPJVHGOVRGV-UHFFFAOYSA-N 1 1 327.388 0.640 20 30 ECEDMO Cn1[nH]c(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)CC[C@@H]3C2)nc1=O ZINC000946589258 611356562 /nfs/dbraw/zinc/35/65/62/611356562.db2.gz OPQUGKSTIQYMKW-GASCZTMLSA-N 1 1 343.431 0.192 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)cc1 ZINC000930069962 611386360 /nfs/dbraw/zinc/38/63/60/611386360.db2.gz OSWQZKXUQCAODF-OAHLLOKOSA-N 1 1 335.429 0.620 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000930141817 611394989 /nfs/dbraw/zinc/39/49/89/611394989.db2.gz CYKKXTJBINXTQT-CQSZACIVSA-N 1 1 329.400 0.522 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4nnnn4c3)CC[C@@H]2C1 ZINC000946673298 611406698 /nfs/dbraw/zinc/40/66/98/611406698.db2.gz PTGBJZOBMIUBIB-GASCZTMLSA-N 1 1 338.415 0.932 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000948099827 611426276 /nfs/dbraw/zinc/42/62/76/611426276.db2.gz ZTYNNMSVQZXIFJ-QMOGDXDJSA-N 1 1 346.431 0.116 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)NCCNc1cccc(C)[nH+]1)[C@H]1CCCO1 ZINC000930469027 611430835 /nfs/dbraw/zinc/43/08/35/611430835.db2.gz CZAZQZCQZDSHEE-ZIAGYGMSSA-N 1 1 330.388 0.215 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)COc3cnn(C)c3)CC[C@@H]2C1 ZINC000946742828 611446563 /nfs/dbraw/zinc/44/65/63/611446563.db2.gz JCQBCSHVURTBLP-IYBDPMFKSA-N 1 1 330.432 0.993 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC000948187312 611462455 /nfs/dbraw/zinc/46/24/55/611462455.db2.gz WHZKRMDJRGPMTM-IRXDYDNUSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC000948187312 611462456 /nfs/dbraw/zinc/46/24/56/611462456.db2.gz WHZKRMDJRGPMTM-IRXDYDNUSA-N 1 1 349.475 0.862 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC)C[C@H]3CC2)c1 ZINC000946770726 611464074 /nfs/dbraw/zinc/46/40/74/611464074.db2.gz SFCJPNPDBZUZQB-IYBDPMFKSA-N 1 1 340.427 0.593 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC[C@@H]2C1 ZINC000946800824 611489989 /nfs/dbraw/zinc/48/99/89/611489989.db2.gz MTWMJQFOIXUZAB-MJBXVCDLSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926142177 611519801 /nfs/dbraw/zinc/51/98/01/611519801.db2.gz NYMZHIBPUQAQCQ-OYNZLANYSA-N 1 1 333.476 0.680 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC000947450196 611542574 /nfs/dbraw/zinc/54/25/74/611542574.db2.gz PUMHHOIMWDBNPT-HIFRSBDPSA-N 1 1 328.416 0.715 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C ZINC000947454085 611544317 /nfs/dbraw/zinc/54/43/17/611544317.db2.gz CVLPNAUQUVQAEN-PWSUYJOCSA-N 1 1 325.390 0.143 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000931597561 611552562 /nfs/dbraw/zinc/55/25/62/611552562.db2.gz BYDZDMPRENJZPV-CJNGLKHVSA-N 1 1 344.390 0.866 20 30 ECEDMO COC1(OC)CCOC[C@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000931668066 611564136 /nfs/dbraw/zinc/56/41/36/611564136.db2.gz PJTUFPUBLDBMAM-OAHLLOKOSA-N 1 1 333.388 0.542 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948416768 611583070 /nfs/dbraw/zinc/58/30/70/611583070.db2.gz OYMNJHOPKQGJEZ-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)CC1 ZINC000948421360 611585647 /nfs/dbraw/zinc/58/56/47/611585647.db2.gz QJVSBOYXUMCSKJ-OAHLLOKOSA-N 1 1 341.477 0.358 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(-c2nnnn2C)cc1 ZINC000932007599 611592798 /nfs/dbraw/zinc/59/27/98/611592798.db2.gz KFWGTZKRKSZQFS-UHFFFAOYSA-N 1 1 327.392 0.954 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000948444494 611599798 /nfs/dbraw/zinc/59/97/98/611599798.db2.gz BODYXZRANTUPQP-KGLIPLIRSA-N 1 1 336.436 0.864 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C ZINC000947598173 611613137 /nfs/dbraw/zinc/61/31/37/611613137.db2.gz LMGDZUNMNASZIB-DGCLKSJQSA-N 1 1 344.423 0.853 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C ZINC000947599793 611614203 /nfs/dbraw/zinc/61/42/03/611614203.db2.gz ZKKJGHWVVFHONH-ZYHUDNBSSA-N 1 1 330.396 0.463 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000947615307 611620633 /nfs/dbraw/zinc/62/06/33/611620633.db2.gz HPDAONRXSNZEFT-DOMZBBRYSA-N 1 1 339.403 0.865 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C ZINC000947369018 608598994 /nfs/dbraw/zinc/59/89/94/608598994.db2.gz FFWYKSBAWZZVJG-ZIAGYGMSSA-N 1 1 334.420 0.092 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000936875171 608663408 /nfs/dbraw/zinc/66/34/08/608663408.db2.gz AAZBMOWMPVPVQP-SJORKVTESA-N 1 1 345.443 0.838 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000936875171 608663410 /nfs/dbraw/zinc/66/34/10/608663410.db2.gz AAZBMOWMPVPVQP-SJORKVTESA-N 1 1 345.443 0.838 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949399296 608668922 /nfs/dbraw/zinc/66/89/22/608668922.db2.gz ZOYXOWZASRBXPJ-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 ZINC000949436840 608678076 /nfs/dbraw/zinc/67/80/76/608678076.db2.gz DHCVZUUOLSQCKB-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccon1 ZINC000936506223 608693989 /nfs/dbraw/zinc/69/39/89/608693989.db2.gz ZZINFARLBWIQCM-YDHLFZDLSA-N 1 1 328.372 0.198 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccon1 ZINC000936506223 608693993 /nfs/dbraw/zinc/69/39/93/608693993.db2.gz ZZINFARLBWIQCM-YDHLFZDLSA-N 1 1 328.372 0.198 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CS(=O)(=O)C2)CC1 ZINC000948560690 611654561 /nfs/dbraw/zinc/65/45/61/611654561.db2.gz FKGNLIFYRVXTBM-OAHLLOKOSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000924035186 608725360 /nfs/dbraw/zinc/72/53/60/608725360.db2.gz IDMUANWYWZQLIU-XHSDSOJGSA-N 1 1 336.505 0.963 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C2)nn1 ZINC000947796123 608778216 /nfs/dbraw/zinc/77/82/16/608778216.db2.gz JVWHXJDIELXSJL-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC23CC3)CC1 ZINC000947230813 608825078 /nfs/dbraw/zinc/82/50/78/608825078.db2.gz UJJGMLBFVWIWKF-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC23CC3)CC1 ZINC000947230813 608825082 /nfs/dbraw/zinc/82/50/82/608825082.db2.gz UJJGMLBFVWIWKF-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)Cn2c[nH+]cc2C)nc1 ZINC000937524640 608864301 /nfs/dbraw/zinc/86/43/01/608864301.db2.gz WCRQQJPJSYTBIH-HOTGVXAUSA-N 1 1 349.394 0.693 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c1 ZINC000932782547 611666863 /nfs/dbraw/zinc/66/68/63/611666863.db2.gz ULOXMVMQQPPDMO-MRXNPFEDSA-N 1 1 342.399 0.995 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)C[C@H]1C ZINC000947602445 608919083 /nfs/dbraw/zinc/91/90/83/608919083.db2.gz LBAFEIPSLDUKKF-HUUCEWRRSA-N 1 1 330.436 0.935 20 30 ECEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)NCC#CCO)CC1 ZINC000923778329 608929527 /nfs/dbraw/zinc/92/95/27/608929527.db2.gz YHAMEAQNWBWPKY-UHFFFAOYSA-N 1 1 325.453 0.762 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000937064734 608946682 /nfs/dbraw/zinc/94/66/82/608946682.db2.gz JGOPERWVBZXYGX-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CCN1CCNC1=O ZINC000947216762 608953737 /nfs/dbraw/zinc/95/37/37/608953737.db2.gz HQYIMGYVQHNUBA-QWHCGFSZSA-N 1 1 344.419 0.494 20 30 ECEDMO C=C(Cl)C[C@@H]1NC(=O)N(CCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000925277469 608981449 /nfs/dbraw/zinc/98/14/49/608981449.db2.gz TZQIIJKCHFZSBT-NSHDSACASA-N 1 1 328.800 0.214 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC000937150646 609007020 /nfs/dbraw/zinc/00/70/20/609007020.db2.gz OMTOMTQWOINFLP-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC000937150646 609007024 /nfs/dbraw/zinc/00/70/24/609007024.db2.gz OMTOMTQWOINFLP-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000937188647 609026322 /nfs/dbraw/zinc/02/63/22/609026322.db2.gz BLSIRZZDTSXXBO-PMPSAXMXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000937188647 609026325 /nfs/dbraw/zinc/02/63/25/609026325.db2.gz BLSIRZZDTSXXBO-PMPSAXMXSA-N 1 1 333.432 0.322 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC000948652544 611677551 /nfs/dbraw/zinc/67/75/51/611677551.db2.gz VWGUSMDFWJYGDR-OKZBNKHCSA-N 1 1 349.475 0.958 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947666252 609028586 /nfs/dbraw/zinc/02/85/86/609028586.db2.gz CNJAGOPDPMKLTC-FZMZJTMJSA-N 1 1 330.388 0.521 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000936393988 609115787 /nfs/dbraw/zinc/11/57/87/609115787.db2.gz VHAFATSIHRIJCV-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000936393988 609115790 /nfs/dbraw/zinc/11/57/90/609115790.db2.gz VHAFATSIHRIJCV-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)[C@@H](C)C2)nn1 ZINC000947792559 611692546 /nfs/dbraw/zinc/69/25/46/611692546.db2.gz OLRHEZHRDSAYCQ-QWHCGFSZSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)[C@@H](C)C2)nn1 ZINC000947792559 611692549 /nfs/dbraw/zinc/69/25/49/611692549.db2.gz OLRHEZHRDSAYCQ-QWHCGFSZSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)[C@H](C)C2)nn1 ZINC000947792830 611693006 /nfs/dbraw/zinc/69/30/06/611693006.db2.gz SROJMTHKBSBUDK-HIFRSBDPSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(CC)on2)C1 ZINC000938170049 609481375 /nfs/dbraw/zinc/48/13/75/609481375.db2.gz BWNSVQLAQHGEBI-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(CC)on2)C1 ZINC000938170049 609481377 /nfs/dbraw/zinc/48/13/77/609481377.db2.gz BWNSVQLAQHGEBI-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000938170361 609481842 /nfs/dbraw/zinc/48/18/42/609481842.db2.gz GTZKAALZYSFGPM-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000938170361 609481844 /nfs/dbraw/zinc/48/18/44/609481844.db2.gz GTZKAALZYSFGPM-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000938170596 609481862 /nfs/dbraw/zinc/48/18/62/609481862.db2.gz KSODHMKPADQGID-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000938170596 609481866 /nfs/dbraw/zinc/48/18/66/609481866.db2.gz KSODHMKPADQGID-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000938171115 609483281 /nfs/dbraw/zinc/48/32/81/609483281.db2.gz XDUOOHBCKBGWPB-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000938171115 609483283 /nfs/dbraw/zinc/48/32/83/609483283.db2.gz XDUOOHBCKBGWPB-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000923900522 609501748 /nfs/dbraw/zinc/50/17/48/609501748.db2.gz QICMTYOTNGPDMJ-ZWKOTPCHSA-N 1 1 345.443 0.879 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000923900522 609501750 /nfs/dbraw/zinc/50/17/50/609501750.db2.gz QICMTYOTNGPDMJ-ZWKOTPCHSA-N 1 1 345.443 0.879 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000923900518 609501853 /nfs/dbraw/zinc/50/18/53/609501853.db2.gz QICMTYOTNGPDMJ-QZTJIDSGSA-N 1 1 345.443 0.879 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000923900518 609501855 /nfs/dbraw/zinc/50/18/55/609501855.db2.gz QICMTYOTNGPDMJ-QZTJIDSGSA-N 1 1 345.443 0.879 20 30 ECEDMO C#CCCCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C ZINC000908531683 609655552 /nfs/dbraw/zinc/65/55/52/609655552.db2.gz RZSALUYYLJJODG-OAHLLOKOSA-N 1 1 344.463 0.514 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920257815 609676558 /nfs/dbraw/zinc/67/65/58/609676558.db2.gz LZOINHNNCNKFJH-CYBMUJFWSA-N 1 1 344.415 0.706 20 30 ECEDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CC1(C#N)CC1)C2 ZINC000920276340 609678259 /nfs/dbraw/zinc/67/82/59/609678259.db2.gz WKZRCWOCBRLMLT-HGTKMLMNSA-N 1 1 341.477 0.689 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000913478073 609680210 /nfs/dbraw/zinc/68/02/10/609680210.db2.gz BWIUNCDBVUHGQX-WMZOPIPTSA-N 1 1 328.416 0.662 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[N@H+]1C ZINC000920403877 609680962 /nfs/dbraw/zinc/68/09/62/609680962.db2.gz JMIDKZVTMJIOMG-BHPKHCPMSA-N 1 1 340.449 0.049 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000163813952 609695197 /nfs/dbraw/zinc/69/51/97/609695197.db2.gz HGQYKAPHLAOUAE-GFCCVEGCSA-N 1 1 334.351 0.877 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](CNC(=O)NCC#CCO)[C@@H]1c1ccccc1 ZINC000923762266 609699349 /nfs/dbraw/zinc/69/93/49/609699349.db2.gz APKFGBMSBOXXNZ-IRXDYDNUSA-N 1 1 331.416 0.743 20 30 ECEDMO CC[N@H+]1CCO[C@@H](CNC(=O)NCC#CCO)[C@@H]1c1ccccc1 ZINC000923762266 609699351 /nfs/dbraw/zinc/69/93/51/609699351.db2.gz APKFGBMSBOXXNZ-IRXDYDNUSA-N 1 1 331.416 0.743 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921321514 609702761 /nfs/dbraw/zinc/70/27/61/609702761.db2.gz GKXFNAXDIFYEHY-JHJVBQTASA-N 1 1 332.495 0.635 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921321514 609702762 /nfs/dbraw/zinc/70/27/62/609702762.db2.gz GKXFNAXDIFYEHY-JHJVBQTASA-N 1 1 332.495 0.635 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000910285860 609714193 /nfs/dbraw/zinc/71/41/93/609714193.db2.gz VNWQRYGZGXALRU-VLUKHXRESA-N 1 1 334.420 0.846 20 30 ECEDMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000910731564 609753706 /nfs/dbraw/zinc/75/37/06/609753706.db2.gz MQKLVFKACVEVCM-HOTGVXAUSA-N 1 1 344.415 0.260 20 30 ECEDMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000910731564 609753707 /nfs/dbraw/zinc/75/37/07/609753707.db2.gz MQKLVFKACVEVCM-HOTGVXAUSA-N 1 1 344.415 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 ZINC000923595097 609778750 /nfs/dbraw/zinc/77/87/50/609778750.db2.gz PCICKAXYAQRPCN-RRFJBIMHSA-N 1 1 331.416 0.375 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 ZINC000923595097 609778752 /nfs/dbraw/zinc/77/87/52/609778752.db2.gz PCICKAXYAQRPCN-RRFJBIMHSA-N 1 1 331.416 0.375 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000910921216 609780863 /nfs/dbraw/zinc/78/08/63/609780863.db2.gz XUGCVLQHMPBNNH-ZACQAIPSSA-N 1 1 347.459 0.306 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2ccco2)C1 ZINC000938511203 609826540 /nfs/dbraw/zinc/82/65/40/609826540.db2.gz QMOBJECEJNNPIM-HOCLYGCPSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2ccco2)C1 ZINC000938511203 609826542 /nfs/dbraw/zinc/82/65/42/609826542.db2.gz QMOBJECEJNNPIM-HOCLYGCPSA-N 1 1 329.400 0.637 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1csc(C#N)c1 ZINC000914059981 609847105 /nfs/dbraw/zinc/84/71/05/609847105.db2.gz YKVAIUJXRUEUOG-UHFFFAOYSA-N 1 1 344.506 0.875 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000912297024 609944928 /nfs/dbraw/zinc/94/49/28/609944928.db2.gz WUXQBWBJVISPNA-OLMNPRSZSA-N 1 1 328.416 0.920 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000938695431 609946016 /nfs/dbraw/zinc/94/60/16/609946016.db2.gz UERJVBXFTRMVFH-QLFBSQMISA-N 1 1 335.448 0.779 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000938695431 609946019 /nfs/dbraw/zinc/94/60/19/609946019.db2.gz UERJVBXFTRMVFH-QLFBSQMISA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000938764370 609981529 /nfs/dbraw/zinc/98/15/29/609981529.db2.gz IJYNJTWGJXMJOB-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000938764370 609981530 /nfs/dbraw/zinc/98/15/30/609981530.db2.gz IJYNJTWGJXMJOB-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CC(Nc3cccc(C#N)c3)C2)C1 ZINC000912774305 610005961 /nfs/dbraw/zinc/00/59/61/610005961.db2.gz UBARFIDKYXUVIF-UHFFFAOYSA-N 1 1 327.432 0.674 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CNC(=S)NCCCc1[nH]nc(N)c1C#N ZINC000918722416 610016679 /nfs/dbraw/zinc/01/66/79/610016679.db2.gz XVSYPMWERANRCV-NSHDSACASA-N 1 1 335.481 0.745 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000938830155 610030016 /nfs/dbraw/zinc/03/00/16/610030016.db2.gz LRKBEBVKPHXUNA-STQMWFEESA-N 1 1 345.403 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000939716527 610098758 /nfs/dbraw/zinc/09/87/58/610098758.db2.gz SSSALNWRPFJUGV-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000939716527 610098759 /nfs/dbraw/zinc/09/87/59/610098759.db2.gz SSSALNWRPFJUGV-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2conc2C)C1 ZINC000939724658 610105933 /nfs/dbraw/zinc/10/59/33/610105933.db2.gz BCPGWKDGIGNVFY-WQVCFCJDSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2conc2C)C1 ZINC000939724658 610105935 /nfs/dbraw/zinc/10/59/35/610105935.db2.gz BCPGWKDGIGNVFY-WQVCFCJDSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ncoc2CC)C1 ZINC000939807826 610135983 /nfs/dbraw/zinc/13/59/83/610135983.db2.gz HZMFABNRYMQVCV-KGLIPLIRSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ncoc2CC)C1 ZINC000939807826 610135985 /nfs/dbraw/zinc/13/59/85/610135985.db2.gz HZMFABNRYMQVCV-KGLIPLIRSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccncc2F)C1 ZINC000939848584 610150619 /nfs/dbraw/zinc/15/06/19/610150619.db2.gz AMEGYAIDFZQLRS-CJNGLKHVSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccncc2F)C1 ZINC000939848584 610150620 /nfs/dbraw/zinc/15/06/20/610150620.db2.gz AMEGYAIDFZQLRS-CJNGLKHVSA-N 1 1 344.390 0.649 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000939930662 610170384 /nfs/dbraw/zinc/17/03/84/610170384.db2.gz VVVOWBMEPIZMJI-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940094431 610206585 /nfs/dbraw/zinc/20/65/85/610206585.db2.gz HARJGMHBRUWGGS-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(Br)CN[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C ZINC000939501286 610218375 /nfs/dbraw/zinc/21/83/75/610218375.db2.gz WLXGEVAAKGDILK-PSASIEDQSA-N 1 1 328.214 0.692 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000940512833 610293775 /nfs/dbraw/zinc/29/37/75/610293775.db2.gz LRMSFCSDLUFHFK-OAHLLOKOSA-N 1 1 346.435 0.233 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccnc4ccnn43)CC2)C1 ZINC000941432766 610312744 /nfs/dbraw/zinc/31/27/44/610312744.db2.gz FVHJKTBWEUIBLL-UHFFFAOYSA-N 1 1 340.431 0.747 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941437182 610315072 /nfs/dbraw/zinc/31/50/72/610315072.db2.gz VFLDBOANTOEKLO-KRWDZBQOSA-N 1 1 341.459 0.612 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3nc(OC)cc(OC)n3)CC2)C1 ZINC000941456907 610319182 /nfs/dbraw/zinc/31/91/82/610319182.db2.gz VPNXXROQJRQAJO-UHFFFAOYSA-N 1 1 347.419 0.122 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000940651998 610324239 /nfs/dbraw/zinc/32/42/39/610324239.db2.gz RUOWABMFGPHMDA-UHFFFAOYSA-N 1 1 340.387 0.766 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cn3cc(C4CC4)cn3)CC2)C1 ZINC000941467077 610328211 /nfs/dbraw/zinc/32/82/11/610328211.db2.gz YTAXCSHCXULRFM-UHFFFAOYSA-N 1 1 329.448 0.775 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn4c3OCCC4)CC2)C1 ZINC000941475741 610331966 /nfs/dbraw/zinc/33/19/66/610331966.db2.gz YQBLXSHRIGLAQX-UHFFFAOYSA-N 1 1 343.431 0.131 20 30 ECEDMO C=C(C)CC[NH+]1CC(N2CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC000941479821 610334682 /nfs/dbraw/zinc/33/46/82/610334682.db2.gz WFRXVIIXDOIGAR-UHFFFAOYSA-N 1 1 344.459 0.794 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(CC)nnc3C)CC2)C1 ZINC000941502600 610346044 /nfs/dbraw/zinc/34/60/44/610346044.db2.gz SZJUZBXCOUQDJG-UHFFFAOYSA-N 1 1 341.459 0.813 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)C1 ZINC000941505125 610347576 /nfs/dbraw/zinc/34/75/76/610347576.db2.gz NLSGOGFWTAONDS-UHFFFAOYSA-N 1 1 342.443 0.869 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)CC2)C1 ZINC000941537949 610357498 /nfs/dbraw/zinc/35/74/98/610357498.db2.gz RKBDNNAVSYQXAV-HNNXBMFYSA-N 1 1 342.447 0.076 20 30 ECEDMO C=CCN1CC(N2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CC2)C1 ZINC000941538243 610357900 /nfs/dbraw/zinc/35/79/00/610357900.db2.gz YNQRJQAXZHPOQS-MRXNPFEDSA-N 1 1 343.475 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnc(C)n2C)C1 ZINC000942251301 610358907 /nfs/dbraw/zinc/35/89/07/610358907.db2.gz FHPXUEQKQVNSDD-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnc(C)n2C)C1 ZINC000942251301 610358908 /nfs/dbraw/zinc/35/89/08/610358908.db2.gz FHPXUEQKQVNSDD-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4nonc4c3)CC2)C1 ZINC000941545301 610370194 /nfs/dbraw/zinc/37/01/94/610370194.db2.gz WBODWOQWTUUQIV-UHFFFAOYSA-N 1 1 327.388 0.851 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cncnc2)CC1 ZINC000940827733 610384750 /nfs/dbraw/zinc/38/47/50/610384750.db2.gz BAHDYJHXDMKHOP-INIZCTEOSA-N 1 1 341.415 0.249 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cncnc2)CC1 ZINC000940827733 610384753 /nfs/dbraw/zinc/38/47/53/610384753.db2.gz BAHDYJHXDMKHOP-INIZCTEOSA-N 1 1 341.415 0.249 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC000942287747 610388519 /nfs/dbraw/zinc/38/85/19/610388519.db2.gz IVEHZSIFEQJDBB-GJYPPUQNSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC000942287747 610388521 /nfs/dbraw/zinc/38/85/21/610388521.db2.gz IVEHZSIFEQJDBB-GJYPPUQNSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000940867622 610403406 /nfs/dbraw/zinc/40/34/06/610403406.db2.gz GTKYUDUYBUZRDU-CYBMUJFWSA-N 1 1 334.420 0.742 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C(C)(C)C1 ZINC000940856621 610407953 /nfs/dbraw/zinc/40/79/53/610407953.db2.gz VCSNAKSHFLSGJB-AWEZNQCLSA-N 1 1 342.403 0.783 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC000942370252 610419088 /nfs/dbraw/zinc/41/90/88/610419088.db2.gz JRZGPNHOJQLNIK-MRXNPFEDSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)CC2)C1 ZINC000941636329 610422363 /nfs/dbraw/zinc/42/23/63/610422363.db2.gz HAKQSJCYBQRPQB-QGZVFWFLSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)CC2)C1 ZINC000941622725 610426750 /nfs/dbraw/zinc/42/67/50/610426750.db2.gz NKUKMBRVYYFRAM-INIZCTEOSA-N 1 1 343.475 0.450 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3cnn(C)c3)CC2)C1 ZINC000941622865 610427104 /nfs/dbraw/zinc/42/71/04/610427104.db2.gz OVYKSDKGGWEJIS-OAHLLOKOSA-N 1 1 331.464 0.613 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ncoc3-c3ccon3)CC2)C1 ZINC000941641139 610434936 /nfs/dbraw/zinc/43/49/36/610434936.db2.gz VOPIMMOXVAYIEX-UHFFFAOYSA-N 1 1 343.387 0.958 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Oc3ccccn3)CC2)C1 ZINC000941641166 610435138 /nfs/dbraw/zinc/43/51/38/610435138.db2.gz WZEDCVMVQQOACZ-HNNXBMFYSA-N 1 1 330.432 0.863 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)N3CCCC3=O)CC2)C1 ZINC000941665046 610455930 /nfs/dbraw/zinc/45/59/30/610455930.db2.gz AGQHTRMNVOALKU-MRXNPFEDSA-N 1 1 334.464 0.402 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000940944731 610456133 /nfs/dbraw/zinc/45/61/33/610456133.db2.gz SQYKMTNQRPEWCN-VXGBXAGGSA-N 1 1 328.844 0.979 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000940944731 610456135 /nfs/dbraw/zinc/45/61/35/610456135.db2.gz SQYKMTNQRPEWCN-VXGBXAGGSA-N 1 1 328.844 0.979 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000941682264 610461260 /nfs/dbraw/zinc/46/12/60/610461260.db2.gz LCDZGQVIUGOSJN-UHFFFAOYSA-N 1 1 342.443 0.342 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3cscn3)CC2)C1 ZINC000941682434 610461799 /nfs/dbraw/zinc/46/17/99/610461799.db2.gz SQKRSPGEQNDFLF-UHFFFAOYSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C(C)(C)C1 ZINC000940984606 610481144 /nfs/dbraw/zinc/48/11/44/610481144.db2.gz MDFDHQKVELTAEX-BBRMVZONSA-N 1 1 329.448 0.770 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941792055 610510805 /nfs/dbraw/zinc/51/08/05/610510805.db2.gz XBFDFRWVSDUOHV-BBRMVZONSA-N 1 1 339.403 0.572 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562378 610518083 /nfs/dbraw/zinc/51/80/83/610518083.db2.gz KQPZNHATXMXEKG-DOMZBBRYSA-N 1 1 339.403 0.722 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000941085392 610528741 /nfs/dbraw/zinc/52/87/41/610528741.db2.gz OKLPVMDVBVRBLA-ZIAGYGMSSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)CC2(C)C)nn1 ZINC000941087225 610529731 /nfs/dbraw/zinc/52/97/31/610529731.db2.gz IGTYFSBLRIWUGN-CQSZACIVSA-N 1 1 348.451 0.431 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)CC2(C)C)nn1 ZINC000941087225 610529733 /nfs/dbraw/zinc/52/97/33/610529733.db2.gz IGTYFSBLRIWUGN-CQSZACIVSA-N 1 1 348.451 0.431 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941090497 610531445 /nfs/dbraw/zinc/53/14/45/610531445.db2.gz HGYWASVSQWKGHW-QWHCGFSZSA-N 1 1 329.466 0.423 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000941102631 610536625 /nfs/dbraw/zinc/53/66/25/610536625.db2.gz CTDYULOBPAOQDR-IKGGRYGDSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnon3)C(C)(C)C2)C1=O ZINC000941112606 610557119 /nfs/dbraw/zinc/55/71/19/610557119.db2.gz FFBBXUBNVPUKQZ-UONOGXRCSA-N 1 1 347.419 0.687 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2cocn2)C1 ZINC000942711862 610563948 /nfs/dbraw/zinc/56/39/48/610563948.db2.gz SCKTZFLTCSTQLW-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2cocn2)C1 ZINC000942711862 610563951 /nfs/dbraw/zinc/56/39/51/610563951.db2.gz SCKTZFLTCSTQLW-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000941160802 610569186 /nfs/dbraw/zinc/56/91/86/610569186.db2.gz IKPCDUADBLWGHS-CYBMUJFWSA-N 1 1 334.420 0.120 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)C(C)(C)C1 ZINC000941163529 610570672 /nfs/dbraw/zinc/57/06/72/610570672.db2.gz MGCUXHNTEWUSGR-CYBMUJFWSA-N 1 1 327.388 0.898 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000941148560 610573523 /nfs/dbraw/zinc/57/35/23/610573523.db2.gz RLYSINDIJZVQIR-AWEZNQCLSA-N 1 1 347.463 0.784 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000941191449 610585612 /nfs/dbraw/zinc/58/56/12/610585612.db2.gz SOBJNPKWPPRLPV-CQSZACIVSA-N 1 1 333.436 0.130 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H](C)C1 ZINC000942723954 610587273 /nfs/dbraw/zinc/58/72/73/610587273.db2.gz RGJXMZCUIWBTOK-CABCVRRESA-N 1 1 344.459 0.987 20 30 ECEDMO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000942744940 610595913 /nfs/dbraw/zinc/59/59/13/610595913.db2.gz QYUYEEBKWPATHB-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941211449 610598063 /nfs/dbraw/zinc/59/80/63/610598063.db2.gz WQVBEQBNOFSTBM-ZDUSSCGKSA-N 1 1 334.420 0.892 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000941231016 610602360 /nfs/dbraw/zinc/60/23/60/610602360.db2.gz LRHIKAMERSHWGP-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccn(CC)n2)C1 ZINC000941241424 610614333 /nfs/dbraw/zinc/61/43/33/610614333.db2.gz CXMFKGWDVJDOTR-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccn(CC)n2)C1 ZINC000941241424 610614335 /nfs/dbraw/zinc/61/43/35/610614335.db2.gz CXMFKGWDVJDOTR-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC(C)(F)F)C1 ZINC000941242167 610615353 /nfs/dbraw/zinc/61/53/53/610615353.db2.gz XQCCIZSTIFDYGV-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC(C)(F)F)C1 ZINC000941242167 610615355 /nfs/dbraw/zinc/61/53/55/610615355.db2.gz XQCCIZSTIFDYGV-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC000941242226 610615407 /nfs/dbraw/zinc/61/54/07/610615407.db2.gz ZYBZAPLCCUCHLM-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC000941242226 610615410 /nfs/dbraw/zinc/61/54/10/610615410.db2.gz ZYBZAPLCCUCHLM-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]cc2C)C1 ZINC000941245556 610616598 /nfs/dbraw/zinc/61/65/98/610616598.db2.gz SDFZBAUZQVQJFS-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]cc2C)C1 ZINC000941245556 610616599 /nfs/dbraw/zinc/61/65/99/610616599.db2.gz SDFZBAUZQVQJFS-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000941237135 610620834 /nfs/dbraw/zinc/62/08/34/610620834.db2.gz ITLDTMMIDDSCIG-CYBMUJFWSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(CC)n[nH]2)C1 ZINC000941238113 610622033 /nfs/dbraw/zinc/62/20/33/610622033.db2.gz UYDBRXMDBFJNAK-ZBFHGGJFSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(CC)n[nH]2)C1 ZINC000941238113 610622034 /nfs/dbraw/zinc/62/20/34/610622034.db2.gz UYDBRXMDBFJNAK-ZBFHGGJFSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC2CCOCC2)C1 ZINC000941238209 610622380 /nfs/dbraw/zinc/62/23/80/610622380.db2.gz WQCOXLDNJMUYTM-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC2CCOCC2)C1 ZINC000941238209 610622382 /nfs/dbraw/zinc/62/23/82/610622382.db2.gz WQCOXLDNJMUYTM-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942816707 610639179 /nfs/dbraw/zinc/63/91/79/610639179.db2.gz VOOXFCMZDXWLFM-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942816707 610639181 /nfs/dbraw/zinc/63/91/81/610639181.db2.gz VOOXFCMZDXWLFM-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942816709 610639333 /nfs/dbraw/zinc/63/93/33/610639333.db2.gz VOOXFCMZDXWLFM-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942816709 610639335 /nfs/dbraw/zinc/63/93/35/610639335.db2.gz VOOXFCMZDXWLFM-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000942078162 610643879 /nfs/dbraw/zinc/64/38/79/610643879.db2.gz BKFKEUOZROISGY-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000942078162 610643881 /nfs/dbraw/zinc/64/38/81/610643881.db2.gz BKFKEUOZROISGY-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000941349653 610685911 /nfs/dbraw/zinc/68/59/11/610685911.db2.gz OZWIDMSTZYUAEP-CABCVRRESA-N 1 1 346.435 0.034 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000942189567 610689978 /nfs/dbraw/zinc/68/99/78/610689978.db2.gz SUCYONZAZKYUFJ-PWSUYJOCSA-N 1 1 327.406 0.553 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H](C)C1 ZINC000942209062 610697469 /nfs/dbraw/zinc/69/74/69/610697469.db2.gz SXODLECNWOIQGC-UONOGXRCSA-N 1 1 342.403 0.783 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1 ZINC000942257455 610714061 /nfs/dbraw/zinc/71/40/61/610714061.db2.gz LPNLNHWLBXTPRG-NEPJUHHUSA-N 1 1 341.433 0.943 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000941398685 610718708 /nfs/dbraw/zinc/71/87/08/610718708.db2.gz ZFKYCVMMMJKGRP-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000943101206 610728390 /nfs/dbraw/zinc/72/83/90/610728390.db2.gz GHCQRYKDUKJPNW-ZBFHGGJFSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000943101206 610728391 /nfs/dbraw/zinc/72/83/91/610728391.db2.gz GHCQRYKDUKJPNW-ZBFHGGJFSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@@H](C)C1 ZINC000944135336 610751783 /nfs/dbraw/zinc/75/17/83/610751783.db2.gz KYJUQXYJWJOSQZ-GXTWGEPZSA-N 1 1 327.388 0.898 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@@H](C)C1 ZINC000944135437 610752201 /nfs/dbraw/zinc/75/22/01/610752201.db2.gz LZYHKSWWYSAQHW-WDEREUQCSA-N 1 1 336.392 0.913 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000943231790 610758161 /nfs/dbraw/zinc/75/81/61/610758161.db2.gz KWKBKQDPBKMIJV-JSGCOSHPSA-N 1 1 334.420 0.100 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@@H](C)C1 ZINC000944191920 610775891 /nfs/dbraw/zinc/77/58/91/610775891.db2.gz GZKKFPLGXMWZCU-ZFWWWQNUSA-N 1 1 328.416 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2C)nc1 ZINC000944192968 610776238 /nfs/dbraw/zinc/77/62/38/610776238.db2.gz PJVANSGMKFOHIP-GOEBONIOSA-N 1 1 338.415 0.795 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C[C@@H]2C)cn1 ZINC000944215040 610787389 /nfs/dbraw/zinc/78/73/89/610787389.db2.gz QCXWATOXTXVTDC-XJKSGUPXSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCS(C)(=O)=O)C[C@@H]2C)cn1 ZINC000944215040 610787392 /nfs/dbraw/zinc/78/73/92/610787392.db2.gz QCXWATOXTXVTDC-XJKSGUPXSA-N 1 1 349.456 0.548 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](C)C1 ZINC000944810577 610794866 /nfs/dbraw/zinc/79/48/66/610794866.db2.gz JEOAUSYBXIUUTB-GXSJLCMTSA-N 1 1 337.811 0.768 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](C)C1 ZINC000944810577 610794867 /nfs/dbraw/zinc/79/48/67/610794867.db2.gz JEOAUSYBXIUUTB-GXSJLCMTSA-N 1 1 337.811 0.768 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CNC(N)=O)cc2)[C@@H](C)C1 ZINC000944831630 610802323 /nfs/dbraw/zinc/80/23/23/610802323.db2.gz QUOKTYZUOGHQKQ-XJKSGUPXSA-N 1 1 328.416 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@H](C)OC)C1 ZINC000943338397 610808299 /nfs/dbraw/zinc/80/82/99/610808299.db2.gz XADCEZUEJBJDSE-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@H](C)OC)C1 ZINC000943338397 610808300 /nfs/dbraw/zinc/80/83/00/610808300.db2.gz XADCEZUEJBJDSE-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)CC2 ZINC000944931573 610848638 /nfs/dbraw/zinc/84/86/38/610848638.db2.gz FCAOZLGQYLUFSV-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C(F)F)C2)CC1 ZINC000944966927 610860755 /nfs/dbraw/zinc/86/07/55/610860755.db2.gz KDMWRLRCKHEGPB-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C(F)F)C2)CC1 ZINC000944966927 610860758 /nfs/dbraw/zinc/86/07/58/610860758.db2.gz KDMWRLRCKHEGPB-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccn(C)n3)C[C@H]2C)nn1 ZINC000943482773 610869287 /nfs/dbraw/zinc/86/92/87/610869287.db2.gz QMZKUZZIXIAPSM-UKRRQHHQSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)n3)C[C@H]2C)nn1 ZINC000943482773 610869288 /nfs/dbraw/zinc/86/92/88/610869288.db2.gz QMZKUZZIXIAPSM-UKRRQHHQSA-N 1 1 343.435 0.838 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](C)C1 ZINC000943513820 610881282 /nfs/dbraw/zinc/88/12/82/610881282.db2.gz AHROYQRQSLOAPX-LSDHHAIUSA-N 1 1 346.435 0.029 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](C)C1 ZINC000943513818 610881331 /nfs/dbraw/zinc/88/13/31/610881331.db2.gz AHROYQRQSLOAPX-GJZGRUSLSA-N 1 1 346.435 0.029 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](C)C1 ZINC000943516327 610881673 /nfs/dbraw/zinc/88/16/73/610881673.db2.gz LMDHKBJXAFOCBH-CABCVRRESA-N 1 1 346.435 0.029 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2C)nn1 ZINC000943497565 610884526 /nfs/dbraw/zinc/88/45/26/610884526.db2.gz LQSBEDWSTIXJEN-UONOGXRCSA-N 1 1 344.423 0.196 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C(F)(F)F)[C@@H](C)C1 ZINC000943499231 610884880 /nfs/dbraw/zinc/88/48/80/610884880.db2.gz SBCOOVWBIJNJMP-VHSXEESVSA-N 1 1 329.326 0.907 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)CCN(C(=O)[C@H](C)C#N)CC2 ZINC000945035402 610890202 /nfs/dbraw/zinc/89/02/02/610890202.db2.gz ODKBANRBBGAXLC-CYBMUJFWSA-N 1 1 329.404 0.802 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000945035649 610890291 /nfs/dbraw/zinc/89/02/91/610890291.db2.gz QQFLCIKZTJZZEZ-RBSFLKMASA-N 1 1 332.448 0.937 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 ZINC000944493561 610896771 /nfs/dbraw/zinc/89/67/71/610896771.db2.gz VTHVVWKNZZQPDL-ZWNOBZJWSA-N 1 1 341.843 0.469 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 ZINC000944493561 610896774 /nfs/dbraw/zinc/89/67/74/610896774.db2.gz VTHVVWKNZZQPDL-ZWNOBZJWSA-N 1 1 341.843 0.469 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC000945184731 610938719 /nfs/dbraw/zinc/93/87/19/610938719.db2.gz XMIUPIZBJJPYGI-DOTOQJQBSA-N 1 1 348.491 0.246 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H](C)C1 ZINC000943761623 610978924 /nfs/dbraw/zinc/97/89/24/610978924.db2.gz PTIWELRBUWTATQ-XJKSGUPXSA-N 1 1 330.432 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccccn1 ZINC000943823871 610995666 /nfs/dbraw/zinc/99/56/66/610995666.db2.gz UTJCTOFEWWNRKF-WBVHZDCISA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccccn1 ZINC000943823871 610995667 /nfs/dbraw/zinc/99/56/67/610995667.db2.gz UTJCTOFEWWNRKF-WBVHZDCISA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)(C)C=C)CCO1 ZINC000944643743 611049078 /nfs/dbraw/zinc/04/90/78/611049078.db2.gz AOZQXHXYOJVTNC-HOTGVXAUSA-N 1 1 347.459 0.640 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)(C)C=C)CCO1 ZINC000944643743 611049080 /nfs/dbraw/zinc/04/90/80/611049080.db2.gz AOZQXHXYOJVTNC-HOTGVXAUSA-N 1 1 347.459 0.640 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)CC[C@@H]2C1 ZINC000946859490 611202718 /nfs/dbraw/zinc/20/27/18/611202718.db2.gz XCASYSYKQXBMRP-GASCZTMLSA-N 1 1 346.431 0.074 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]2C1 ZINC000946884945 611225008 /nfs/dbraw/zinc/22/50/08/611225008.db2.gz QOOJNHLDVIYIKE-OKILXGFUSA-N 1 1 334.420 0.285 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC[C@@H]2C1 ZINC000946896960 611237368 /nfs/dbraw/zinc/23/73/68/611237368.db2.gz RPXIYQXDLAPBTM-ZNMIVQPWSA-N 1 1 341.477 0.425 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000923559808 611261189 /nfs/dbraw/zinc/26/11/89/611261189.db2.gz UARISDGBINRKEC-KFWWJZLASA-N 1 1 329.400 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000923559808 611261190 /nfs/dbraw/zinc/26/11/90/611261190.db2.gz UARISDGBINRKEC-KFWWJZLASA-N 1 1 329.400 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CSc2nnc(CCC)n2N)C1 ZINC000923559467 611261198 /nfs/dbraw/zinc/26/11/98/611261198.db2.gz FLMMFDNDPPBLHK-LBPRGKRZSA-N 1 1 336.465 0.250 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CSc2nnc(CCC)n2N)C1 ZINC000923559467 611261200 /nfs/dbraw/zinc/26/12/00/611261200.db2.gz FLMMFDNDPPBLHK-LBPRGKRZSA-N 1 1 336.465 0.250 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000923589122 611270648 /nfs/dbraw/zinc/27/06/48/611270648.db2.gz NLWCQEZTPHKIOX-KRWDZBQOSA-N 1 1 327.428 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000923589122 611270649 /nfs/dbraw/zinc/27/06/49/611270649.db2.gz NLWCQEZTPHKIOX-KRWDZBQOSA-N 1 1 327.428 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cccnc2N2CCOCC2)C1 ZINC000923584562 611271685 /nfs/dbraw/zinc/27/16/85/611271685.db2.gz SFUVCJKRESWZNE-HNNXBMFYSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccnc2N2CCOCC2)C1 ZINC000923584562 611271687 /nfs/dbraw/zinc/27/16/87/611271687.db2.gz SFUVCJKRESWZNE-HNNXBMFYSA-N 1 1 328.416 0.746 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC000947925420 611283484 /nfs/dbraw/zinc/28/34/84/611283484.db2.gz PMBROCCUDYJSPD-ZIAGYGMSSA-N 1 1 336.436 0.816 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2CC1 ZINC000946521032 611298688 /nfs/dbraw/zinc/29/86/88/611298688.db2.gz FHDNKHDXJUEBJU-MCIONIFRSA-N 1 1 327.450 0.361 20 30 ECEDMO C#C[C@H](NC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O)[C@@H]1CCCO1 ZINC000922047147 611333047 /nfs/dbraw/zinc/33/30/47/611333047.db2.gz JXGNXFNPPPRGRW-NGXVOCDNSA-N 1 1 349.475 0.946 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCCCC[NH+]2CCNCC2)cc1 ZINC000923683745 611342334 /nfs/dbraw/zinc/34/23/34/611342334.db2.gz RKGSJUIZSGQAEQ-UHFFFAOYSA-N 1 1 336.461 0.912 20 30 ECEDMO C#CCN1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000922200529 611342818 /nfs/dbraw/zinc/34/28/18/611342818.db2.gz DNLJIFVLOAPULD-INIZCTEOSA-N 1 1 336.480 0.884 20 30 ECEDMO C#CCN1CCC(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000922200529 611342821 /nfs/dbraw/zinc/34/28/21/611342821.db2.gz DNLJIFVLOAPULD-INIZCTEOSA-N 1 1 336.480 0.884 20 30 ECEDMO N#CCSCC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922346278 611347954 /nfs/dbraw/zinc/34/79/54/611347954.db2.gz DVZWTOMEHRXESM-AWEZNQCLSA-N 1 1 326.466 0.156 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000933591238 611735032 /nfs/dbraw/zinc/73/50/32/611735032.db2.gz OXEWGQPWWFZWTN-QGZVFWFLSA-N 1 1 335.452 0.778 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)[C@@H](C)C1 ZINC000947903169 611736786 /nfs/dbraw/zinc/73/67/86/611736786.db2.gz DTCSBBQUHAGCFZ-UONOGXRCSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)[C@@H](C)C1 ZINC000947903169 611736787 /nfs/dbraw/zinc/73/67/87/611736787.db2.gz DTCSBBQUHAGCFZ-UONOGXRCSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929752058 611790019 /nfs/dbraw/zinc/79/00/19/611790019.db2.gz FHFAURZKAPRNQP-CHWSQXEVSA-N 1 1 343.518 0.718 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000929752058 611790020 /nfs/dbraw/zinc/79/00/20/611790020.db2.gz FHFAURZKAPRNQP-CHWSQXEVSA-N 1 1 343.518 0.718 20 30 ECEDMO CCN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000949913008 611812101 /nfs/dbraw/zinc/81/21/01/611812101.db2.gz MNFDFPJPMGDXGN-INIZCTEOSA-N 1 1 342.403 0.290 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000950648667 611816893 /nfs/dbraw/zinc/81/68/93/611816893.db2.gz XOFPKPZXSRAEAT-BMFZPTHFSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000950648667 611816896 /nfs/dbraw/zinc/81/68/96/611816896.db2.gz XOFPKPZXSRAEAT-BMFZPTHFSA-N 1 1 328.416 0.689 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1COCCO1)CCO2 ZINC000949038628 611821935 /nfs/dbraw/zinc/82/19/35/611821935.db2.gz YOCAELZWGMPQTO-AWEZNQCLSA-N 1 1 344.839 0.848 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cc(C)no2)C1 ZINC000949987575 611834783 /nfs/dbraw/zinc/83/47/83/611834783.db2.gz HMSUPSKMFOTQSZ-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cc(C)no2)C1 ZINC000949987575 611834786 /nfs/dbraw/zinc/83/47/86/611834786.db2.gz HMSUPSKMFOTQSZ-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC000949095332 611852397 /nfs/dbraw/zinc/85/23/97/611852397.db2.gz HXJNQYPSDTZLMJ-CVEARBPZSA-N 1 1 348.447 0.067 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000950080823 611861478 /nfs/dbraw/zinc/86/14/78/611861478.db2.gz SMUAHOZPKJWTIF-SJORKVTESA-N 1 1 325.412 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000950080820 611861534 /nfs/dbraw/zinc/86/15/34/611861534.db2.gz SMUAHOZPKJWTIF-DLBZAZTESA-N 1 1 325.412 0.950 20 30 ECEDMO CC#CC[NH+]1CCC2(CC1)CN(C(=O)c1cn(C)ccc1=O)CCO2 ZINC000949135442 611868939 /nfs/dbraw/zinc/86/89/39/611868939.db2.gz MARFNTSOGLXOSY-UHFFFAOYSA-N 1 1 343.427 0.716 20 30 ECEDMO C#CC[NH+]1CCC2(CC1)CN(C(=O)c1cc(=O)c(OC)co1)CCO2 ZINC000949141647 611872183 /nfs/dbraw/zinc/87/21/83/611872183.db2.gz IWADZKTYYGTKFQ-UHFFFAOYSA-N 1 1 346.383 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1scnc1C ZINC000950753968 611889357 /nfs/dbraw/zinc/88/93/57/611889357.db2.gz PFJUFGMIGOOJTA-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1scnc1C ZINC000950753968 611889358 /nfs/dbraw/zinc/88/93/58/611889358.db2.gz PFJUFGMIGOOJTA-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1[nH]cnc1C ZINC000950755076 611890874 /nfs/dbraw/zinc/89/08/74/611890874.db2.gz CQLOWIWXVREFEJ-ZBFHGGJFSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1[nH]cnc1C ZINC000950755076 611890875 /nfs/dbraw/zinc/89/08/75/611890875.db2.gz CQLOWIWXVREFEJ-ZBFHGGJFSA-N 1 1 343.431 0.075 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000950231703 611917089 /nfs/dbraw/zinc/91/70/89/611917089.db2.gz PJLSRRJHHSKEBG-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000950232259 611917346 /nfs/dbraw/zinc/91/73/46/611917346.db2.gz XUGPSWBAOYTCFW-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000949244081 611918029 /nfs/dbraw/zinc/91/80/29/611918029.db2.gz VTPAYSAKOLYQAJ-GOEBONIOSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000949244081 611918031 /nfs/dbraw/zinc/91/80/31/611918031.db2.gz VTPAYSAKOLYQAJ-GOEBONIOSA-N 1 1 346.431 0.335 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@@H]1CCCN(C)C1=O)CCO2 ZINC000949320985 611938229 /nfs/dbraw/zinc/93/82/29/611938229.db2.gz YNYOIDNWTSHJJH-LSDHHAIUSA-N 1 1 348.447 0.460 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@@H]1CCCN(C)C1=O)CCO2 ZINC000949320985 611938230 /nfs/dbraw/zinc/93/82/30/611938230.db2.gz YNYOIDNWTSHJJH-LSDHHAIUSA-N 1 1 348.447 0.460 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395102 611963153 /nfs/dbraw/zinc/96/31/53/611963153.db2.gz MWMWJLCEKCLULA-GOSISDBHSA-N 1 1 347.459 0.619 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC000949395416 611963662 /nfs/dbraw/zinc/96/36/62/611963662.db2.gz SOEAROBGZYRUCI-UHFFFAOYSA-N 1 1 343.427 0.716 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000949412597 611969769 /nfs/dbraw/zinc/96/97/69/611969769.db2.gz ZETDHXJPUDJMSC-UHFFFAOYSA-N 1 1 333.388 0.872 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000949412597 611969772 /nfs/dbraw/zinc/96/97/72/611969772.db2.gz ZETDHXJPUDJMSC-UHFFFAOYSA-N 1 1 333.388 0.872 20 30 ECEDMO CC#CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000949470999 611991847 /nfs/dbraw/zinc/99/18/47/611991847.db2.gz NNRVZSSTXVXCKH-DLBZAZTESA-N 1 1 333.476 0.901 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 ZINC000949493625 612005283 /nfs/dbraw/zinc/00/52/83/612005283.db2.gz YQJIVFIPQIOKGI-OAHLLOKOSA-N 1 1 335.448 0.925 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)N3CCOCC3)CC2)C1 ZINC000949536774 612025309 /nfs/dbraw/zinc/02/53/09/612025309.db2.gz LELOTGSJOGDCQX-KRWDZBQOSA-N 1 1 349.475 0.424 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)N3CCOCC3)CC2)C1 ZINC000949536774 612025310 /nfs/dbraw/zinc/02/53/10/612025310.db2.gz LELOTGSJOGDCQX-KRWDZBQOSA-N 1 1 349.475 0.424 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000950473659 612033522 /nfs/dbraw/zinc/03/35/22/612033522.db2.gz YOLCUHUZLJPYAG-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950517008 612049206 /nfs/dbraw/zinc/04/92/06/612049206.db2.gz FBJDODXXBAYCJH-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000949664438 612056092 /nfs/dbraw/zinc/05/60/92/612056092.db2.gz IMBFGKYWCHRUEU-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000949664438 612056094 /nfs/dbraw/zinc/05/60/94/612056094.db2.gz IMBFGKYWCHRUEU-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2=CCOCC2)C1 ZINC000951223933 612088761 /nfs/dbraw/zinc/08/87/61/612088761.db2.gz TXIMNUTZCYYFEY-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2=CCOCC2)C1 ZINC000951223933 612088762 /nfs/dbraw/zinc/08/87/62/612088762.db2.gz TXIMNUTZCYYFEY-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000951224090 612089179 /nfs/dbraw/zinc/08/91/79/612089179.db2.gz XQZDUNNLUBPJPW-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000951224090 612089182 /nfs/dbraw/zinc/08/91/82/612089182.db2.gz XQZDUNNLUBPJPW-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2nccs2)C1 ZINC000951224040 612089187 /nfs/dbraw/zinc/08/91/87/612089187.db2.gz WSPHCTAECKRSOQ-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2nccs2)C1 ZINC000951224040 612089189 /nfs/dbraw/zinc/08/91/89/612089189.db2.gz WSPHCTAECKRSOQ-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000952012685 612176154 /nfs/dbraw/zinc/17/61/54/612176154.db2.gz XIMMTZNBIACGMN-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000952014351 612177132 /nfs/dbraw/zinc/17/71/32/612177132.db2.gz KCCFPASIIBDRSW-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000951491348 612268180 /nfs/dbraw/zinc/26/81/80/612268180.db2.gz CHDLWZNBFRCBQW-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000951494533 612268979 /nfs/dbraw/zinc/26/89/79/612268979.db2.gz OIZABMWTLPOCLE-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000955262628 612391978 /nfs/dbraw/zinc/39/19/78/612391978.db2.gz DFFAXPOJEWCVOX-SUMWQHHRSA-N 1 1 340.427 0.543 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000954631111 612469326 /nfs/dbraw/zinc/46/93/26/612469326.db2.gz PCOKNVXIQAAUOT-VNQPRFMTSA-N 1 1 333.432 0.321 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000954631111 612469329 /nfs/dbraw/zinc/46/93/29/612469329.db2.gz PCOKNVXIQAAUOT-VNQPRFMTSA-N 1 1 333.432 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OC ZINC000952506637 612469815 /nfs/dbraw/zinc/46/98/15/612469815.db2.gz LGAFJMONOATKAH-YVSFHVDLSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OC ZINC000952506637 612469817 /nfs/dbraw/zinc/46/98/17/612469817.db2.gz LGAFJMONOATKAH-YVSFHVDLSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2ccoc2)C1 ZINC000954631458 612470467 /nfs/dbraw/zinc/47/04/67/612470467.db2.gz XWMJCHXUFABXDM-KRWDZBQOSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2ccoc2)C1 ZINC000954631458 612470470 /nfs/dbraw/zinc/47/04/70/612470470.db2.gz XWMJCHXUFABXDM-KRWDZBQOSA-N 1 1 343.427 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000955344159 612471624 /nfs/dbraw/zinc/47/16/24/612471624.db2.gz JNEKFSHJYOQYOE-CQSZACIVSA-N 1 1 340.427 0.688 20 30 ECEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC000951722657 612508533 /nfs/dbraw/zinc/50/85/33/612508533.db2.gz KWGDBHGOEKKABO-UHFFFAOYSA-N 1 1 341.437 0.170 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000953987660 612526376 /nfs/dbraw/zinc/52/63/76/612526376.db2.gz ITQJDNBLQVSWBU-UKRRQHHQSA-N 1 1 336.436 0.316 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000953987660 612526379 /nfs/dbraw/zinc/52/63/79/612526379.db2.gz ITQJDNBLQVSWBU-UKRRQHHQSA-N 1 1 336.436 0.316 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cn(C)cn1 ZINC000955967681 612539088 /nfs/dbraw/zinc/53/90/88/612539088.db2.gz PDPDJZZZHNSEAK-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cn(C)cn1 ZINC000955967681 612539095 /nfs/dbraw/zinc/53/90/95/612539095.db2.gz PDPDJZZZHNSEAK-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000952685928 612599330 /nfs/dbraw/zinc/59/93/30/612599330.db2.gz ILHUCIFSJIJTLA-IXDOHACOSA-N 1 1 345.443 0.322 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000952685928 612599331 /nfs/dbraw/zinc/59/93/31/612599331.db2.gz ILHUCIFSJIJTLA-IXDOHACOSA-N 1 1 345.443 0.322 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954088682 612648068 /nfs/dbraw/zinc/64/80/68/612648068.db2.gz XNSRTMZJKFMONM-BXUZGUMPSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1n[nH]cc1F ZINC000956073067 612676625 /nfs/dbraw/zinc/67/66/25/612676625.db2.gz MIBJFTCZFIFSKR-JSGCOSHPSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1n[nH]cc1F ZINC000956073067 612676627 /nfs/dbraw/zinc/67/66/27/612676627.db2.gz MIBJFTCZFIFSKR-JSGCOSHPSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc(C)no1 ZINC000956073340 612677178 /nfs/dbraw/zinc/67/71/78/612677178.db2.gz FSMKXWASJGOLNM-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc(C)no1 ZINC000956073340 612677180 /nfs/dbraw/zinc/67/71/80/612677180.db2.gz FSMKXWASJGOLNM-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO CN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954939590 612802069 /nfs/dbraw/zinc/80/20/69/612802069.db2.gz FXRJOKPBJYQAHI-SFHVURJKSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cccn2CC)C1 ZINC000954327949 612859779 /nfs/dbraw/zinc/85/97/79/612859779.db2.gz GAUJMWGZRGXFRM-KRWDZBQOSA-N 1 1 342.443 0.888 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cccn2CC)C1 ZINC000954327949 612859781 /nfs/dbraw/zinc/85/97/81/612859781.db2.gz GAUJMWGZRGXFRM-KRWDZBQOSA-N 1 1 342.443 0.888 20 30 ECEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc(C#N)c(OC)n1)CC2 ZINC001164685029 719706888 /nfs/dbraw/zinc/70/68/88/719706888.db2.gz QANYSMJLXJREGE-UHFFFAOYSA-N 1 1 344.419 0.538 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C)nc(C#N)n3)CC[C@@H]2C1 ZINC001164858908 720860480 /nfs/dbraw/zinc/86/04/80/720860480.db2.gz SRQBKSSHOBMSCY-HUUCEWRRSA-N 1 1 331.420 0.830 20 30 ECEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H]1CCCO1)C2 ZINC001111515245 735288872 /nfs/dbraw/zinc/28/88/72/735288872.db2.gz QPWSCSICSBCWCN-VQHPVUNQSA-N 1 1 336.432 0.553 20 30 ECEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H]1CCCO1)C2 ZINC001111515245 735288878 /nfs/dbraw/zinc/28/88/78/735288878.db2.gz QPWSCSICSBCWCN-VQHPVUNQSA-N 1 1 336.432 0.553 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC000971897701 735335564 /nfs/dbraw/zinc/33/55/64/735335564.db2.gz FLNWNTSXPLKDMC-CQSZACIVSA-N 1 1 334.420 0.612 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)cc(C)nc3=O)[C@H]2C1 ZINC001083233939 735446399 /nfs/dbraw/zinc/44/63/99/735446399.db2.gz CLKASQYHKUNWJX-JKSUJKDBSA-N 1 1 346.431 0.348 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Cc3cnn(C)c3)[C@H]2C1 ZINC001083236210 735499879 /nfs/dbraw/zinc/49/98/79/735499879.db2.gz QLLGOOWFJFSXOT-HYVNUMGLSA-N 1 1 330.432 0.534 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]cnc4c3)C2)C1 ZINC000972394455 736114849 /nfs/dbraw/zinc/11/48/49/736114849.db2.gz HXMRXDHNVWUZQU-SFHVURJKSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]cnc4c3)C2)C1 ZINC000972394455 736114852 /nfs/dbraw/zinc/11/48/52/736114852.db2.gz HXMRXDHNVWUZQU-SFHVURJKSA-N 1 1 339.399 0.898 20 30 ECEDMO CCCn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001024959798 738429449 /nfs/dbraw/zinc/42/94/49/738429449.db2.gz JUSRDBTYCXKTRF-OAHLLOKOSA-N 1 1 330.436 0.967 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001104537768 738446597 /nfs/dbraw/zinc/44/65/97/738446597.db2.gz IKLWSMNMABLYCK-DZGCQCFKSA-N 1 1 331.420 0.851 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001104537768 738446599 /nfs/dbraw/zinc/44/65/99/738446599.db2.gz IKLWSMNMABLYCK-DZGCQCFKSA-N 1 1 331.420 0.851 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCO[C@H](CNc2ccc(C#N)nn2)C1 ZINC001111956412 738523273 /nfs/dbraw/zinc/52/32/73/738523273.db2.gz BLQAVQCUUSOYOY-CQSZACIVSA-N 1 1 346.435 0.718 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](n2ccnn2)C1 ZINC001069977791 790270627 /nfs/dbraw/zinc/27/06/27/790270627.db2.gz FPGYYCWOZIYOJH-CVEARBPZSA-N 1 1 343.435 0.480 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C)no3)C2)C1=O ZINC000969288403 731680204 /nfs/dbraw/zinc/68/02/04/731680204.db2.gz XRISEBSRWRRBAI-GXTWGEPZSA-N 1 1 332.404 0.820 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1COCCO1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969321233 731717519 /nfs/dbraw/zinc/71/75/19/731717519.db2.gz BRJXEMLSKFCZQI-CXAGYDPISA-N 1 1 329.400 0.910 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1COCCO1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969325170 731722702 /nfs/dbraw/zinc/72/27/02/731722702.db2.gz ZOCJZHZFKIEJIA-IAQYHMDHSA-N 1 1 335.429 0.972 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cncnc3C)C2)C1=O ZINC000969345681 731740468 /nfs/dbraw/zinc/74/04/68/731740468.db2.gz NBHMSLNVPNUDLH-LRDDRELGSA-N 1 1 343.431 0.622 20 30 ECEDMO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005286 738534251 /nfs/dbraw/zinc/53/42/51/738534251.db2.gz DQYGTNVUODDECS-KGLIPLIRSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005286 738534253 /nfs/dbraw/zinc/53/42/53/738534253.db2.gz DQYGTNVUODDECS-KGLIPLIRSA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CN(C)CCO1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969442353 731888840 /nfs/dbraw/zinc/88/88/40/731888840.db2.gz QCJZIAOCJJMDGC-QFBILLFUSA-N 1 1 341.455 0.805 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cccn4)ccn3)[C@H]2C1 ZINC001083190533 731903841 /nfs/dbraw/zinc/90/38/41/731903841.db2.gz OGDFSVXSEUEXQW-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cccn4)ccn3)[C@H]2C1 ZINC001083190533 731903843 /nfs/dbraw/zinc/90/38/43/731903843.db2.gz OGDFSVXSEUEXQW-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000969465590 731912142 /nfs/dbraw/zinc/91/21/42/731912142.db2.gz GLMRVAJPAOUMDL-QWRGUYRKSA-N 1 1 329.404 0.604 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC000969569491 731975936 /nfs/dbraw/zinc/97/59/36/731975936.db2.gz QADTXWNVNNYNRJ-CYBMUJFWSA-N 1 1 340.427 0.973 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3nn(C)cc3C)C2)C1=O ZINC000969655904 732026836 /nfs/dbraw/zinc/02/68/36/732026836.db2.gz CAILINAMUXMUCH-DZGCQCFKSA-N 1 1 345.447 0.566 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn(C)nc3Cl)[C@H]2C1 ZINC001083191621 732086639 /nfs/dbraw/zinc/08/66/39/732086639.db2.gz IFWKRHJJHWALRV-UONOGXRCSA-N 1 1 336.823 0.551 20 30 ECEDMO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973048839 738582168 /nfs/dbraw/zinc/58/21/68/738582168.db2.gz VEMZXZRQTVLDGH-UONOGXRCSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973048839 738582171 /nfs/dbraw/zinc/58/21/71/738582171.db2.gz VEMZXZRQTVLDGH-UONOGXRCSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3nc4nccc(C)n4n3)C2)C1 ZINC001041812165 782252577 /nfs/dbraw/zinc/25/25/77/782252577.db2.gz IFLUWGHPCYSPBJ-SFHVURJKSA-N 1 1 338.415 0.994 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)C1 ZINC000969817482 732408380 /nfs/dbraw/zinc/40/83/80/732408380.db2.gz KXWMUIZPEQBMFB-KBXIAJHMSA-N 1 1 334.420 0.069 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)C1 ZINC000969817482 732408382 /nfs/dbraw/zinc/40/83/82/732408382.db2.gz KXWMUIZPEQBMFB-KBXIAJHMSA-N 1 1 334.420 0.069 20 30 ECEDMO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC001208926171 732434572 /nfs/dbraw/zinc/43/45/72/732434572.db2.gz CRVRZDJRUQTYAI-GOSISDBHSA-N 1 1 326.400 0.524 20 30 ECEDMO C=CCN(CC[N@@H+]1C[C@](O)(C(F)(F)F)C[C@H]1CO)C(=O)OCC ZINC001209016920 732448892 /nfs/dbraw/zinc/44/88/92/732448892.db2.gz HWGQHFGJRQWMMU-AAEUAGOBSA-N 1 1 340.342 0.991 20 30 ECEDMO C=CCN(CC[N@H+]1C[C@](O)(C(F)(F)F)C[C@H]1CO)C(=O)OCC ZINC001209016920 732448894 /nfs/dbraw/zinc/44/88/94/732448894.db2.gz HWGQHFGJRQWMMU-AAEUAGOBSA-N 1 1 340.342 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cnsn2)C1 ZINC000969865219 732461847 /nfs/dbraw/zinc/46/18/47/732461847.db2.gz MKSINJIPZRMVLW-DOMZBBRYSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cnsn2)C1 ZINC000969865219 732461850 /nfs/dbraw/zinc/46/18/50/732461850.db2.gz MKSINJIPZRMVLW-DOMZBBRYSA-N 1 1 333.461 0.572 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001041816175 782261299 /nfs/dbraw/zinc/26/12/99/782261299.db2.gz LPVYCTARMPBLMV-SFHVURJKSA-N 1 1 346.431 0.265 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC000970015244 732626920 /nfs/dbraw/zinc/62/69/20/732626920.db2.gz UDZOODPQFJEWRS-KFWWJZLASA-N 1 1 345.447 0.974 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001078082910 782275729 /nfs/dbraw/zinc/27/57/29/782275729.db2.gz ZPDOEMSSWAPKNR-KFKAGJAMSA-N 1 1 342.439 0.798 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001041821567 782270673 /nfs/dbraw/zinc/27/06/73/782270673.db2.gz GPQALBZMYPNZEF-KRWDZBQOSA-N 1 1 329.404 0.690 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccnnc3C)C2)C1=O ZINC000970065428 732709350 /nfs/dbraw/zinc/70/93/50/732709350.db2.gz ZJZCKYFPBNKZHO-WBMJQRKESA-N 1 1 343.431 0.622 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001041821624 782272496 /nfs/dbraw/zinc/27/24/96/782272496.db2.gz GZNLFQDEVPJGBB-QGZVFWFLSA-N 1 1 327.388 0.137 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001078082012 782273631 /nfs/dbraw/zinc/27/36/31/782273631.db2.gz AVTBIGLSAWZROF-KFKAGJAMSA-N 1 1 342.439 0.798 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001078082174 782274106 /nfs/dbraw/zinc/27/41/06/782274106.db2.gz FPWPMWUYIGWZIW-GUDVDZBRSA-N 1 1 342.439 0.941 20 30 ECEDMO C#CCCC[N@@H+]1CCOC[C@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001209266830 732771854 /nfs/dbraw/zinc/77/18/54/732771854.db2.gz DNLYZBHZELSZOA-QGZVFWFLSA-N 1 1 332.404 0.268 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001041828306 782286211 /nfs/dbraw/zinc/28/62/11/782286211.db2.gz XQMZPYWCCWHWNH-KRWDZBQOSA-N 1 1 332.404 0.600 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836245 782312101 /nfs/dbraw/zinc/31/21/01/782312101.db2.gz RMUQIFRWUJNBLG-ZFWWWQNUSA-N 1 1 327.450 0.179 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC001098532798 733052802 /nfs/dbraw/zinc/05/28/02/733052802.db2.gz FSBRERBMUUVTRW-CQSZACIVSA-N 1 1 345.447 0.218 20 30 ECEDMO C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001098532798 733052806 /nfs/dbraw/zinc/05/28/06/733052806.db2.gz FSBRERBMUUVTRW-CQSZACIVSA-N 1 1 345.447 0.218 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001098532798 733052810 /nfs/dbraw/zinc/05/28/10/733052810.db2.gz FSBRERBMUUVTRW-CQSZACIVSA-N 1 1 345.447 0.218 20 30 ECEDMO C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001098532798 733052814 /nfs/dbraw/zinc/05/28/14/733052814.db2.gz FSBRERBMUUVTRW-CQSZACIVSA-N 1 1 345.447 0.218 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001098532798 733052820 /nfs/dbraw/zinc/05/28/20/733052820.db2.gz FSBRERBMUUVTRW-CQSZACIVSA-N 1 1 345.447 0.218 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc(F)c[nH]3)C2)C1=O ZINC000970175676 733129198 /nfs/dbraw/zinc/12/91/98/733129198.db2.gz UTDNQANMJZLEFS-NHYWBVRUSA-N 1 1 334.395 0.991 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CNc2cnc(C#N)cn2)C(C)(C)C)C1 ZINC001125828918 738683783 /nfs/dbraw/zinc/68/37/83/738683783.db2.gz YTEQUDAFYXUFFR-KGLIPLIRSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CNc2cnc(C#N)cn2)C(C)(C)C)C1 ZINC001125828918 738683784 /nfs/dbraw/zinc/68/37/84/738683784.db2.gz YTEQUDAFYXUFFR-KGLIPLIRSA-N 1 1 346.435 0.622 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CCCO)C3)C2)CC1 ZINC001041842720 782322919 /nfs/dbraw/zinc/32/29/19/782322919.db2.gz AVWRFKBNCBDHKL-LJQANCHMSA-N 1 1 333.476 0.638 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CCCO)C3)C2)CC1 ZINC001041842720 782322928 /nfs/dbraw/zinc/32/29/28/782322928.db2.gz AVWRFKBNCBDHKL-LJQANCHMSA-N 1 1 333.476 0.638 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNc2cnc(C#N)cn2)CC1 ZINC001067470759 733186715 /nfs/dbraw/zinc/18/67/15/733186715.db2.gz AJCJKNWNPIBLEK-AWEZNQCLSA-N 1 1 344.419 0.208 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000970265357 733274659 /nfs/dbraw/zinc/27/46/59/733274659.db2.gz PJYBCFALILUCFZ-XHDPSFHLSA-N 1 1 344.390 0.770 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3nnn(C)c3C)CC2)C1 ZINC000949328746 733284546 /nfs/dbraw/zinc/28/45/46/733284546.db2.gz COPBWYNGFFLPDG-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2O)CC1 ZINC000970336420 733369455 /nfs/dbraw/zinc/36/94/55/733369455.db2.gz MWCRDHARYDEPIW-UAGQMJEPSA-N 1 1 349.475 0.763 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001078123229 782339044 /nfs/dbraw/zinc/33/90/44/782339044.db2.gz JOLQSJSSJGBCQS-CHWSQXEVSA-N 1 1 330.392 0.092 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ncnn2C)nc1 ZINC001025142137 738713575 /nfs/dbraw/zinc/71/35/75/738713575.db2.gz OSSQACURZFBKMT-OAHLLOKOSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC000970400890 733471944 /nfs/dbraw/zinc/47/19/44/733471944.db2.gz HPKZGAPORNBQAU-CHWSQXEVSA-N 1 1 340.427 0.780 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000970430608 733522046 /nfs/dbraw/zinc/52/20/46/733522046.db2.gz DALOJBGGWMBSQM-KMUNFCNLSA-N 1 1 344.390 0.755 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccnnc3)C2)C1=O ZINC000970483743 733601247 /nfs/dbraw/zinc/60/12/47/733601247.db2.gz VRMICPXUVMPWHN-SWLSCSKDSA-N 1 1 329.404 0.314 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)nc1 ZINC000970517905 733638288 /nfs/dbraw/zinc/63/82/88/733638288.db2.gz DMRJAUADKAUUBX-CQSZACIVSA-N 1 1 339.403 0.635 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC001125391149 733679553 /nfs/dbraw/zinc/67/95/53/733679553.db2.gz UXCKOEIFVINVSL-AWEZNQCLSA-N 1 1 329.335 0.571 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)COC)C(C)C ZINC001114939148 733785819 /nfs/dbraw/zinc/78/58/19/733785819.db2.gz CGOLIVKTEUFXDR-MYZSUADSSA-N 1 1 343.855 0.573 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](NC(=O)COC)C(C)C ZINC001114939148 733785822 /nfs/dbraw/zinc/78/58/22/733785822.db2.gz CGOLIVKTEUFXDR-MYZSUADSSA-N 1 1 343.855 0.573 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC000970765514 733922935 /nfs/dbraw/zinc/92/29/35/733922935.db2.gz DIVSBDKFMRXKGB-OLZOCXBDSA-N 1 1 340.427 0.780 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC000970763485 733926126 /nfs/dbraw/zinc/92/61/26/733926126.db2.gz LQUFXENUVZVNGV-GUYCJALGSA-N 1 1 340.427 0.734 20 30 ECEDMO CCc1nc(C#N)cc(N(CC)CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001100469483 733929620 /nfs/dbraw/zinc/92/96/20/733929620.db2.gz UATUWJOJCAUGNC-AWEZNQCLSA-N 1 1 330.436 0.947 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3cnnn3CC)C2)CC1 ZINC000970791878 733942479 /nfs/dbraw/zinc/94/24/79/733942479.db2.gz AZBAFAWJLVUABS-MRXNPFEDSA-N 1 1 344.463 0.334 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971045189 734206133 /nfs/dbraw/zinc/20/61/33/734206133.db2.gz LTBSJDKJSSXONU-AWEZNQCLSA-N 1 1 343.366 0.417 20 30 ECEDMO C=CCCn1cc(C(=O)NCCC2(C[NH2+]Cc3cnon3)CC2)nn1 ZINC001167428155 734221666 /nfs/dbraw/zinc/22/16/66/734221666.db2.gz DZDSVCJLLSEGCD-UHFFFAOYSA-N 1 1 345.407 0.927 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC000971062467 734223716 /nfs/dbraw/zinc/22/37/16/734223716.db2.gz JZIHLLGOALOZNJ-HZSPNIEDSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC000971062467 734223717 /nfs/dbraw/zinc/22/37/17/734223717.db2.gz JZIHLLGOALOZNJ-HZSPNIEDSA-N 1 1 339.386 0.799 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 ZINC001104318592 734284150 /nfs/dbraw/zinc/28/41/50/734284150.db2.gz NDLMBYSTLGMVHH-AWEZNQCLSA-N 1 1 332.408 0.010 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2ccncc2C#N)CCO1 ZINC001104322742 734300790 /nfs/dbraw/zinc/30/07/90/734300790.db2.gz ALZHUJKVHBUDGS-HNNXBMFYSA-N 1 1 331.420 0.616 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001149167246 734335691 /nfs/dbraw/zinc/33/56/91/734335691.db2.gz CGDFPUJUKCHUIG-OAHLLOKOSA-N 1 1 348.447 0.456 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001149167246 734335692 /nfs/dbraw/zinc/33/56/92/734335692.db2.gz CGDFPUJUKCHUIG-OAHLLOKOSA-N 1 1 348.447 0.456 20 30 ECEDMO C=CCOCC[N@H+]1CCCO[C@H](CNC(=O)c2cnsn2)C1 ZINC001149256007 734337239 /nfs/dbraw/zinc/33/72/39/734337239.db2.gz IUMUDPFHOBFIDG-GFCCVEGCSA-N 1 1 326.422 0.561 20 30 ECEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1OC ZINC001213347825 734380494 /nfs/dbraw/zinc/38/04/94/734380494.db2.gz AAPLKZLUNBJMJH-ZIAGYGMSSA-N 1 1 337.420 0.307 20 30 ECEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1OC ZINC001213347825 734380501 /nfs/dbraw/zinc/38/05/01/734380501.db2.gz AAPLKZLUNBJMJH-ZIAGYGMSSA-N 1 1 337.420 0.307 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104334929 734395711 /nfs/dbraw/zinc/39/57/11/734395711.db2.gz RGJCRIZHKSBIBO-OAHLLOKOSA-N 1 1 340.387 0.480 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3nnn(C)c3C)C2)C1=O ZINC000971259926 734404359 /nfs/dbraw/zinc/40/43/59/734404359.db2.gz NPMQPLBACISSHJ-KGLIPLIRSA-N 1 1 346.435 0.057 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 ZINC001104337535 734434717 /nfs/dbraw/zinc/43/47/17/734434717.db2.gz BDVIEJPSDJNARA-ZDUSSCGKSA-N 1 1 346.435 0.400 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 ZINC001104338668 734438574 /nfs/dbraw/zinc/43/85/74/734438574.db2.gz ZUQRPWWORIELBC-CQSZACIVSA-N 1 1 346.435 0.400 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnn3c2C[C@H](C)CC3)CC1 ZINC001098550608 734456381 /nfs/dbraw/zinc/45/63/81/734456381.db2.gz WQUDMQZXEAENBD-OAHLLOKOSA-N 1 1 344.459 0.998 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000971376213 734488371 /nfs/dbraw/zinc/48/83/71/734488371.db2.gz JDKUYQYEILISSJ-HOTGVXAUSA-N 1 1 341.415 0.820 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3nnc(C)o3)C2)C1=O ZINC000971496753 734690605 /nfs/dbraw/zinc/69/06/05/734690605.db2.gz JRTYQTDFYNSZQM-KGLIPLIRSA-N 1 1 347.419 0.240 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CS(=O)(=O)C1 ZINC001025231011 738852964 /nfs/dbraw/zinc/85/29/64/738852964.db2.gz FAYRQPNIYRCUCE-HOTGVXAUSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ccnn2C)C1 ZINC000971703333 734964110 /nfs/dbraw/zinc/96/41/10/734964110.db2.gz DRWRXXIQMYAIJB-RDJZCZTQSA-N 1 1 329.448 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ccnn2C)C1 ZINC000971703333 734964112 /nfs/dbraw/zinc/96/41/12/734964112.db2.gz DRWRXXIQMYAIJB-RDJZCZTQSA-N 1 1 329.448 0.550 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nonc2C)C1 ZINC000971703725 734965163 /nfs/dbraw/zinc/96/51/63/734965163.db2.gz MNDZMAKXUMUOPA-HOCLYGCPSA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nonc2C)C1 ZINC000971703725 734965166 /nfs/dbraw/zinc/96/51/66/734965166.db2.gz MNDZMAKXUMUOPA-HOCLYGCPSA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nc(C)no2)C1 ZINC000971704807 734966231 /nfs/dbraw/zinc/96/62/31/734966231.db2.gz YBDLGTLMGFSHIX-GJZGRUSLSA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nc(C)no2)C1 ZINC000971704807 734966235 /nfs/dbraw/zinc/96/62/35/734966235.db2.gz YBDLGTLMGFSHIX-GJZGRUSLSA-N 1 1 331.420 0.508 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CCN3CCOCC3)[C@H]2C1 ZINC001083224700 735071899 /nfs/dbraw/zinc/07/18/99/735071899.db2.gz MNJLQLQXIZPROR-DLBZAZTESA-N 1 1 337.464 0.587 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025239170 738889175 /nfs/dbraw/zinc/88/91/75/738889175.db2.gz CFPGWVLHNSNAJM-IRXDYDNUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC001098558420 735252863 /nfs/dbraw/zinc/25/28/63/735252863.db2.gz BNZMCRAHKJDXLK-UHFFFAOYSA-N 1 1 327.388 0.490 20 30 ECEDMO C#CC[N@@H+](CCO)C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001098558420 735252867 /nfs/dbraw/zinc/25/28/67/735252867.db2.gz BNZMCRAHKJDXLK-UHFFFAOYSA-N 1 1 327.388 0.490 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001098558420 735252873 /nfs/dbraw/zinc/25/28/73/735252873.db2.gz BNZMCRAHKJDXLK-UHFFFAOYSA-N 1 1 327.388 0.490 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)Cn2ccccc2=O)CC1 ZINC001098558460 735258134 /nfs/dbraw/zinc/25/81/34/735258134.db2.gz DHLNUQMPLOBEBY-UHFFFAOYSA-N 1 1 331.416 0.157 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)CC[N@H+]1C ZINC000972089492 735630907 /nfs/dbraw/zinc/63/09/07/735630907.db2.gz YKXRNLPHGOKTPS-MWQQHZPXSA-N 1 1 329.444 0.799 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000987931183 751348684 /nfs/dbraw/zinc/34/86/84/751348684.db2.gz SHCYARUAXVFGGP-UONOGXRCSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H]3CC)[C@H]2C1 ZINC001083243163 735676691 /nfs/dbraw/zinc/67/66/91/735676691.db2.gz OFQUZMAXQDTUJW-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H]3CC)[C@H]2C1 ZINC001083243163 735676692 /nfs/dbraw/zinc/67/66/92/735676692.db2.gz OFQUZMAXQDTUJW-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC001098566565 735835221 /nfs/dbraw/zinc/83/52/21/735835221.db2.gz BZGVOVFBLWFPNM-OAHLLOKOSA-N 1 1 344.477 0.425 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001058908728 751363073 /nfs/dbraw/zinc/36/30/73/751363073.db2.gz DGQGUFXDGTZRJE-JKSUJKDBSA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001058908728 751363079 /nfs/dbraw/zinc/36/30/79/751363079.db2.gz DGQGUFXDGTZRJE-JKSUJKDBSA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)c(C)n3)C2)C1 ZINC001058908810 751363946 /nfs/dbraw/zinc/36/39/46/751363946.db2.gz HPEIGYWKZWHXBD-JKSUJKDBSA-N 1 1 343.431 0.995 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)c(C)n3)C2)C1 ZINC001058908810 751363954 /nfs/dbraw/zinc/36/39/54/751363954.db2.gz HPEIGYWKZWHXBD-JKSUJKDBSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000972325358 735946740 /nfs/dbraw/zinc/94/67/40/735946740.db2.gz ZTZQLPVOTCVSTE-HZSPNIEDSA-N 1 1 343.855 0.907 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000972325358 735946744 /nfs/dbraw/zinc/94/67/44/735946744.db2.gz ZTZQLPVOTCVSTE-HZSPNIEDSA-N 1 1 343.855 0.907 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC000972384168 736052339 /nfs/dbraw/zinc/05/23/39/736052339.db2.gz FURBWUXRYJQKCF-QWHCGFSZSA-N 1 1 338.843 0.911 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC000972384168 736052341 /nfs/dbraw/zinc/05/23/41/736052341.db2.gz FURBWUXRYJQKCF-QWHCGFSZSA-N 1 1 338.843 0.911 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC000972413980 736150451 /nfs/dbraw/zinc/15/04/51/736150451.db2.gz RKRAWWIIZSTNJX-QGZVFWFLSA-N 1 1 332.404 0.769 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC000972423422 736170294 /nfs/dbraw/zinc/17/02/94/736170294.db2.gz VFKUWQLNFKXSIO-KRWDZBQOSA-N 1 1 332.404 0.273 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC000972423422 736170296 /nfs/dbraw/zinc/17/02/96/736170296.db2.gz VFKUWQLNFKXSIO-KRWDZBQOSA-N 1 1 332.404 0.273 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000972426083 736174810 /nfs/dbraw/zinc/17/48/10/736174810.db2.gz SQJMUPXKWGKPQI-QAPCUYQASA-N 1 1 335.448 0.925 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428533 736177300 /nfs/dbraw/zinc/17/73/00/736177300.db2.gz LXWFYJVEZGSDIS-SFHVURJKSA-N 1 1 346.431 0.880 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972440804 736199711 /nfs/dbraw/zinc/19/97/11/736199711.db2.gz LJHMUNSLENPWSO-SJLPKXTDSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972440879 736200084 /nfs/dbraw/zinc/20/00/84/736200084.db2.gz LTJIQHOWGBUTJC-AEFFLSMTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972440879 736200087 /nfs/dbraw/zinc/20/00/87/736200087.db2.gz LTJIQHOWGBUTJC-AEFFLSMTSA-N 1 1 335.448 0.034 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(CC#N)CCO2 ZINC000972444394 736211257 /nfs/dbraw/zinc/21/12/57/736211257.db2.gz RXSZMVRMARZTGV-FUHWJXTLSA-N 1 1 334.464 0.934 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001041972526 782519571 /nfs/dbraw/zinc/51/95/71/782519571.db2.gz AAPLRUKLLQXKPU-LSDHHAIUSA-N 1 1 335.448 0.659 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3CC)C2)C1 ZINC000972450878 736231655 /nfs/dbraw/zinc/23/16/55/736231655.db2.gz ZFFSDLVWPLNYCC-GOSISDBHSA-N 1 1 330.432 0.923 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3CC)C2)C1 ZINC000972450878 736231657 /nfs/dbraw/zinc/23/16/57/736231657.db2.gz ZFFSDLVWPLNYCC-GOSISDBHSA-N 1 1 330.432 0.923 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4nccn4c3)C2)C1 ZINC000972465921 736266681 /nfs/dbraw/zinc/26/66/81/736266681.db2.gz MVFWZKCUKNAMHK-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4nccn4c3)C2)C1 ZINC000972465921 736266684 /nfs/dbraw/zinc/26/66/84/736266684.db2.gz MVFWZKCUKNAMHK-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972479525 736302210 /nfs/dbraw/zinc/30/22/10/736302210.db2.gz BOANDMUOUPPXSD-SJLPKXTDSA-N 1 1 348.447 0.987 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)C1 ZINC000972479601 736302670 /nfs/dbraw/zinc/30/26/70/736302670.db2.gz WRWCNHJNBRDTAR-GPMSIDNRSA-N 1 1 342.443 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)C1 ZINC000972479601 736302673 /nfs/dbraw/zinc/30/26/73/736302673.db2.gz WRWCNHJNBRDTAR-GPMSIDNRSA-N 1 1 342.443 0.850 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001022990714 736370189 /nfs/dbraw/zinc/37/01/89/736370189.db2.gz CEOWJDXOSJBTIN-TXEJJXNPSA-N 1 1 327.344 0.527 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 ZINC000972492515 736380504 /nfs/dbraw/zinc/38/05/04/736380504.db2.gz MYKNYECZNIQRSO-CRAIPNDOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 ZINC000972492515 736380505 /nfs/dbraw/zinc/38/05/05/736380505.db2.gz MYKNYECZNIQRSO-CRAIPNDOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972506300 736451116 /nfs/dbraw/zinc/45/11/16/736451116.db2.gz JSZGCJBWVXIYLS-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC1 ZINC001098575508 736504234 /nfs/dbraw/zinc/50/42/34/736504234.db2.gz SCPCQJJUDGYMLN-CQSZACIVSA-N 1 1 346.493 0.529 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3nc(C)c[nH]3)C2)C1=O ZINC000972514629 736513079 /nfs/dbraw/zinc/51/30/79/736513079.db2.gz RSZNZRRDSJKTFO-UONOGXRCSA-N 1 1 331.420 0.651 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NCc3nccn3CC)C2)CC1 ZINC001023128837 736524244 /nfs/dbraw/zinc/52/42/44/736524244.db2.gz VGEZKMXGCLIYEU-CALCHBBNSA-N 1 1 343.475 0.985 20 30 ECEDMO C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972516529 736525195 /nfs/dbraw/zinc/52/51/95/736525195.db2.gz AGLSOSAJIXLKBX-WMZOPIPTSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972516529 736525196 /nfs/dbraw/zinc/52/51/96/736525196.db2.gz AGLSOSAJIXLKBX-WMZOPIPTSA-N 1 1 335.448 0.032 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023298458 736660847 /nfs/dbraw/zinc/66/08/47/736660847.db2.gz WTDQKKFCLHJDJG-QWHCGFSZSA-N 1 1 331.420 0.805 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023309157 736667237 /nfs/dbraw/zinc/66/72/37/736667237.db2.gz ZMJROAIYJDMSSP-CHWSQXEVSA-N 1 1 331.420 0.805 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000972547501 736671859 /nfs/dbraw/zinc/67/18/59/736671859.db2.gz BOVAERPNCHWSNV-MSOLQXFVSA-N 1 1 335.448 0.782 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318105 736674194 /nfs/dbraw/zinc/67/41/94/736674194.db2.gz CEVFAFKQIDNVAY-LBPRGKRZSA-N 1 1 327.392 0.657 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318105 736674198 /nfs/dbraw/zinc/67/41/98/736674198.db2.gz CEVFAFKQIDNVAY-LBPRGKRZSA-N 1 1 327.392 0.657 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972549133 736678227 /nfs/dbraw/zinc/67/82/27/736678227.db2.gz MHRJHWQYZQTMOU-KRWDZBQOSA-N 1 1 333.388 0.872 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972549133 736678230 /nfs/dbraw/zinc/67/82/30/736678230.db2.gz MHRJHWQYZQTMOU-KRWDZBQOSA-N 1 1 333.388 0.872 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001023318809 736678770 /nfs/dbraw/zinc/67/87/70/736678770.db2.gz OCPJISPGJJVKKM-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001023320110 736680469 /nfs/dbraw/zinc/68/04/69/736680469.db2.gz RFGOSERZJRJHJG-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972550055 736689751 /nfs/dbraw/zinc/68/97/51/736689751.db2.gz UWRWOSYCXVQGRN-KRWDZBQOSA-N 1 1 333.388 0.872 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001023444826 736841990 /nfs/dbraw/zinc/84/19/90/736841990.db2.gz XGDZTXNRFBRVEE-ZDUSSCGKSA-N 1 1 326.462 0.825 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001023465085 736870893 /nfs/dbraw/zinc/87/08/93/736870893.db2.gz LACZLAHMLZZRAW-LBPRGKRZSA-N 1 1 341.433 0.945 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 ZINC001098577262 736885123 /nfs/dbraw/zinc/88/51/23/736885123.db2.gz GUFVFCOCOFKPCO-UHFFFAOYSA-N 1 1 344.415 0.103 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972572438 736886393 /nfs/dbraw/zinc/88/63/93/736886393.db2.gz JVYMGJRZGXJABL-APWZRJJASA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972572438 736886399 /nfs/dbraw/zinc/88/63/99/736886399.db2.gz JVYMGJRZGXJABL-APWZRJJASA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001023502545 736928113 /nfs/dbraw/zinc/92/81/13/736928113.db2.gz FQUZWXREIHZMGU-HIFRSBDPSA-N 1 1 329.404 0.217 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001023507720 736932072 /nfs/dbraw/zinc/93/20/72/736932072.db2.gz XFWRGAKGQLHBQX-CQSZACIVSA-N 1 1 341.415 0.796 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnco3)C2)C1=O ZINC001023517624 736950228 /nfs/dbraw/zinc/95/02/28/736950228.db2.gz DJCQHONLZOGFSM-UONOGXRCSA-N 1 1 332.404 0.903 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)C1 ZINC000972591175 737007950 /nfs/dbraw/zinc/00/79/50/737007950.db2.gz XSCSIPSSXPCYNT-YJBOKZPZSA-N 1 1 330.432 0.915 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)C1 ZINC000972591175 737007952 /nfs/dbraw/zinc/00/79/52/737007952.db2.gz XSCSIPSSXPCYNT-YJBOKZPZSA-N 1 1 330.432 0.915 20 30 ECEDMO C=CCCOCC(=O)N1CCC([N@@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098577898 737009006 /nfs/dbraw/zinc/00/90/06/737009006.db2.gz SURKIUUKVNNNGI-INIZCTEOSA-N 1 1 340.464 0.901 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001023583091 737039307 /nfs/dbraw/zinc/03/93/07/737039307.db2.gz XLFLSLGKVHWNFJ-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001023583366 737040497 /nfs/dbraw/zinc/04/04/97/737040497.db2.gz FRDPSFVHRUVKAL-WBVHZDCISA-N 1 1 340.427 0.783 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001023588506 737041449 /nfs/dbraw/zinc/04/14/49/737041449.db2.gz BZUWNVRQKVKUJR-FRRDWIJNSA-N 1 1 329.828 0.600 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001023588506 737041450 /nfs/dbraw/zinc/04/14/50/737041450.db2.gz BZUWNVRQKVKUJR-FRRDWIJNSA-N 1 1 329.828 0.600 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001023588723 737041783 /nfs/dbraw/zinc/04/17/83/737041783.db2.gz JPQBWGGRNHKHOP-OAHLLOKOSA-N 1 1 344.459 0.988 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001023599941 737058937 /nfs/dbraw/zinc/05/89/37/737058937.db2.gz ZKSOTVHXDYPAIV-BMFZPTHFSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001023599941 737058939 /nfs/dbraw/zinc/05/89/39/737058939.db2.gz ZKSOTVHXDYPAIV-BMFZPTHFSA-N 1 1 333.436 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ncccn3)C2)C1 ZINC000972603937 737071434 /nfs/dbraw/zinc/07/14/34/737071434.db2.gz BYHUSXSWDWHTSN-GOSISDBHSA-N 1 1 328.416 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ncccn3)C2)C1 ZINC000972603937 737071439 /nfs/dbraw/zinc/07/14/39/737071439.db2.gz BYHUSXSWDWHTSN-GOSISDBHSA-N 1 1 328.416 0.736 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001023622686 737100492 /nfs/dbraw/zinc/10/04/92/737100492.db2.gz DIEYBJLLPLDYNX-MNOVXSKESA-N 1 1 328.800 0.165 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001023622686 737100495 /nfs/dbraw/zinc/10/04/95/737100495.db2.gz DIEYBJLLPLDYNX-MNOVXSKESA-N 1 1 328.800 0.165 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001023644749 737133598 /nfs/dbraw/zinc/13/35/98/737133598.db2.gz RNKUXQAXRWYPDD-KGLIPLIRSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001023675642 737184633 /nfs/dbraw/zinc/18/46/33/737184633.db2.gz ZGPJDQVECGMJII-CVEARBPZSA-N 1 1 345.447 0.780 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972641879 737203850 /nfs/dbraw/zinc/20/38/50/737203850.db2.gz ACWNZAQJLDFVFR-WMZOPIPTSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001023692832 737207049 /nfs/dbraw/zinc/20/70/49/737207049.db2.gz LSTTVIVFDBCSPS-AWEZNQCLSA-N 1 1 346.431 0.834 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001023710132 737228965 /nfs/dbraw/zinc/22/89/65/737228965.db2.gz IIRVTELARJPSAY-RHSMWYFYSA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972652748 737258818 /nfs/dbraw/zinc/25/88/18/737258818.db2.gz BDMUORTUMOQRGC-FQEVSTJZSA-N 1 1 342.439 0.896 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972652748 737258822 /nfs/dbraw/zinc/25/88/22/737258822.db2.gz BDMUORTUMOQRGC-FQEVSTJZSA-N 1 1 342.439 0.896 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nn(C)c3F)C2)C1 ZINC000972659964 737274245 /nfs/dbraw/zinc/27/42/45/737274245.db2.gz QSRUQFDCIFJQBL-KRWDZBQOSA-N 1 1 334.395 0.808 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nn(C)c3F)C2)C1 ZINC000972659964 737274249 /nfs/dbraw/zinc/27/42/49/737274249.db2.gz QSRUQFDCIFJQBL-KRWDZBQOSA-N 1 1 334.395 0.808 20 30 ECEDMO CC#CC[NH+]1CCC2(CC1)CN(C(=O)CCc1nc[nH]n1)C[C@@H](C)O2 ZINC001098580905 737281228 /nfs/dbraw/zinc/28/12/28/737281228.db2.gz WQRCLXWTJIGYSE-OAHLLOKOSA-N 1 1 345.447 0.843 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN([C@H](C)C(=O)NC)C2)CC1 ZINC001023759291 737319769 /nfs/dbraw/zinc/31/97/69/737319769.db2.gz FCNVHDLJCFPDGY-CVEARBPZSA-N 1 1 348.491 0.294 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 ZINC001098581820 737324419 /nfs/dbraw/zinc/32/44/19/737324419.db2.gz CLBROUZXEASXMW-UHFFFAOYSA-N 1 1 346.431 0.656 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023763334 737325010 /nfs/dbraw/zinc/32/50/10/737325010.db2.gz JDSOLHXVRRJXDS-CYBMUJFWSA-N 1 1 334.424 0.171 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972676932 737356336 /nfs/dbraw/zinc/35/63/36/737356336.db2.gz MLDXGRDIZJYLIO-QGZVFWFLSA-N 1 1 348.403 0.801 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972676932 737356340 /nfs/dbraw/zinc/35/63/40/737356340.db2.gz MLDXGRDIZJYLIO-QGZVFWFLSA-N 1 1 348.403 0.801 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](CCCC)NC(N)=O)CC1 ZINC001098582356 737364079 /nfs/dbraw/zinc/36/40/79/737364079.db2.gz RBXICRBKQUKWMG-OAHLLOKOSA-N 1 1 340.468 0.685 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CN(CC)CCO3)C2)C1 ZINC000972682867 737371701 /nfs/dbraw/zinc/37/17/01/737371701.db2.gz JCMXDHMESOQKBP-AEFFLSMTSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972688827 737385894 /nfs/dbraw/zinc/38/58/94/737385894.db2.gz QQZOSXIWICGRSO-QAPCUYQASA-N 1 1 343.431 0.167 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972688827 737385898 /nfs/dbraw/zinc/38/58/98/737385898.db2.gz QQZOSXIWICGRSO-QAPCUYQASA-N 1 1 343.431 0.167 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972707452 737519675 /nfs/dbraw/zinc/51/96/75/737519675.db2.gz JOGIRDYZAHDUDW-GOSISDBHSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972707452 737519680 /nfs/dbraw/zinc/51/96/80/737519680.db2.gz JOGIRDYZAHDUDW-GOSISDBHSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)COC[C@H]2CCCO2)CC1 ZINC001098583960 737628563 /nfs/dbraw/zinc/62/85/63/737628563.db2.gz HABPBFJKSWSFAV-QGZVFWFLSA-N 1 1 338.448 0.491 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cnn(C)c3)C(C)(C)C2)C1=O ZINC000972799677 737689596 /nfs/dbraw/zinc/68/95/96/737689596.db2.gz JFPGOFCSYPITJW-CABCVRRESA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cnn(C)c3)C(C)(C)C2)C1=O ZINC000972799677 737689599 /nfs/dbraw/zinc/68/95/99/737689599.db2.gz JFPGOFCSYPITJW-CABCVRRESA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccn[nH]3)C(C)(C)C2)C1=O ZINC000972825439 737752665 /nfs/dbraw/zinc/75/26/65/737752665.db2.gz OPFCTVMOJCCLBX-ZIAGYGMSSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccn[nH]3)C(C)(C)C2)C1=O ZINC000972825439 737752667 /nfs/dbraw/zinc/75/26/67/737752667.db2.gz OPFCTVMOJCCLBX-ZIAGYGMSSA-N 1 1 331.420 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H](O)C(C)C)C[C@H]21 ZINC000972835202 737758913 /nfs/dbraw/zinc/75/89/13/737758913.db2.gz QKEHVTCXGGFISH-YYIAUSFCSA-N 1 1 347.459 0.160 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H](O)C(C)C)C[C@H]21 ZINC000972835202 737758916 /nfs/dbraw/zinc/75/89/16/737758916.db2.gz QKEHVTCXGGFISH-YYIAUSFCSA-N 1 1 347.459 0.160 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cn(C)nn2)C1=O ZINC001024420819 737955003 /nfs/dbraw/zinc/95/50/03/737955003.db2.gz UZXLJIDEAASEOB-ZFWWWQNUSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cn(C)nn2)C1=O ZINC001024420819 737955011 /nfs/dbraw/zinc/95/50/11/737955011.db2.gz UZXLJIDEAASEOB-ZFWWWQNUSA-N 1 1 346.435 0.186 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCn1cncn1 ZINC001024487155 738014648 /nfs/dbraw/zinc/01/46/48/738014648.db2.gz NPYLSEBFAZTRDJ-IRXDYDNUSA-N 1 1 344.463 0.346 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1nncn1C ZINC001024487408 738014679 /nfs/dbraw/zinc/01/46/79/738014679.db2.gz OKCXOOSUYPYYBL-CVEARBPZSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1nncn1C ZINC001024487408 738014684 /nfs/dbraw/zinc/01/46/84/738014684.db2.gz OKCXOOSUYPYYBL-CVEARBPZSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cnc(OCC)cn2)CC1 ZINC001098586600 738019647 /nfs/dbraw/zinc/01/96/47/738019647.db2.gz KAWIWJSOVRPQRR-UHFFFAOYSA-N 1 1 346.431 0.798 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1 ZINC001098586719 738028960 /nfs/dbraw/zinc/02/89/60/738028960.db2.gz MCEDHXNRBDVQPQ-INIZCTEOSA-N 1 1 337.464 0.443 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)c1 ZINC001024529564 738064672 /nfs/dbraw/zinc/06/46/72/738064672.db2.gz VHNTWZAQUNUHRK-INIZCTEOSA-N 1 1 331.416 0.712 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC001087293160 738135621 /nfs/dbraw/zinc/13/56/21/738135621.db2.gz ZHBBMAARTCLXJP-FHLIZLRMSA-N 1 1 348.491 0.552 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001024622350 738179286 /nfs/dbraw/zinc/17/92/86/738179286.db2.gz VLDDOJDEFICRRR-LSDHHAIUSA-N 1 1 329.448 0.914 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@@H]21 ZINC001087308075 738230094 /nfs/dbraw/zinc/23/00/94/738230094.db2.gz LBTLBZXVQDYGMR-KCPJHIHWSA-N 1 1 334.420 0.329 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC001087310563 738246649 /nfs/dbraw/zinc/24/66/49/738246649.db2.gz YTCZHQLCEUULPS-XOKHGSTOSA-N 1 1 345.443 0.668 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1C(=O)CCC1=O ZINC001087317880 738281904 /nfs/dbraw/zinc/28/19/04/738281904.db2.gz OFAHCJUETZGULK-JEBQAFNWSA-N 1 1 345.443 0.764 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3[nH]c(C)nc3C)CC2)C1=O ZINC000981978020 751398091 /nfs/dbraw/zinc/39/80/91/751398091.db2.gz RSGSYUONAAUHCN-HNNXBMFYSA-N 1 1 345.447 0.961 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3[nH]c(C)nc3C)CC2)C1=O ZINC000981978020 751398095 /nfs/dbraw/zinc/39/80/95/751398095.db2.gz RSGSYUONAAUHCN-HNNXBMFYSA-N 1 1 345.447 0.961 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(C)c(=O)n3C)C(C)(C)[C@H]21 ZINC001087320022 738294072 /nfs/dbraw/zinc/29/40/72/738294072.db2.gz XVGHYBUTIDOHEK-BMFZPTHFSA-N 1 1 344.459 0.966 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001024781082 738294666 /nfs/dbraw/zinc/29/46/66/738294666.db2.gz MAIICFZTDYSTOY-LBPRGKRZSA-N 1 1 325.372 0.948 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001024781082 738294668 /nfs/dbraw/zinc/29/46/68/738294668.db2.gz MAIICFZTDYSTOY-LBPRGKRZSA-N 1 1 325.372 0.948 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O ZINC001025286357 739006282 /nfs/dbraw/zinc/00/62/82/739006282.db2.gz JGVRAGRBYNEOHA-HUUCEWRRSA-N 1 1 346.431 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc(=O)n(C)n1 ZINC001025294481 739014343 /nfs/dbraw/zinc/01/43/43/739014343.db2.gz BKCYJMYVJKRUBC-CVEARBPZSA-N 1 1 328.416 0.873 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CCC1=O ZINC001025298325 739019388 /nfs/dbraw/zinc/01/93/88/739019388.db2.gz WESMEJYHUAPAPS-GJZGRUSLSA-N 1 1 331.416 0.614 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)nc2)C1 ZINC001104579464 739037040 /nfs/dbraw/zinc/03/70/40/739037040.db2.gz NLNYVOCZYLCHSB-CZUORRHYSA-N 1 1 331.420 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)nc2)C1 ZINC001104579464 739037044 /nfs/dbraw/zinc/03/70/44/739037044.db2.gz NLNYVOCZYLCHSB-CZUORRHYSA-N 1 1 331.420 0.933 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000973295740 739061225 /nfs/dbraw/zinc/06/12/25/739061225.db2.gz OSUGUPDASXVYAF-IHRRRGAJSA-N 1 1 346.435 0.183 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104579918 739072411 /nfs/dbraw/zinc/07/24/11/739072411.db2.gz SJYNIOHASKNJEA-GXTWGEPZSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104579918 739072416 /nfs/dbraw/zinc/07/24/16/739072416.db2.gz SJYNIOHASKNJEA-GXTWGEPZSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2nccnc2C#N)C1 ZINC001104579950 739087643 /nfs/dbraw/zinc/08/76/43/739087643.db2.gz SUAFJLOJTGGEGH-GXTWGEPZSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2nccnc2C#N)C1 ZINC001104579950 739087646 /nfs/dbraw/zinc/08/76/46/739087646.db2.gz SUAFJLOJTGGEGH-GXTWGEPZSA-N 1 1 332.408 0.328 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000973327752 739099809 /nfs/dbraw/zinc/09/98/09/739099809.db2.gz PHZXHBVEJPIIHQ-DTZQCDIJSA-N 1 1 340.427 0.780 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nccnc2C)nn1 ZINC001028187918 751419918 /nfs/dbraw/zinc/41/99/18/751419918.db2.gz QEYGJCBEJCKMOA-AWEZNQCLSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nccnc2C)nn1 ZINC001028187918 751419921 /nfs/dbraw/zinc/41/99/21/751419921.db2.gz QEYGJCBEJCKMOA-AWEZNQCLSA-N 1 1 341.419 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccsn2)C1 ZINC000973391695 739190740 /nfs/dbraw/zinc/19/07/40/739190740.db2.gz CEPLBTDSKDYLLB-OBJOEFQTSA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccsn2)C1 ZINC000973391695 739190743 /nfs/dbraw/zinc/19/07/43/739190743.db2.gz CEPLBTDSKDYLLB-OBJOEFQTSA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC000973393856 739200521 /nfs/dbraw/zinc/20/05/21/739200521.db2.gz HAPUDVFIGWLHFH-XUXIUFHCSA-N 1 1 339.386 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC000973393856 739200528 /nfs/dbraw/zinc/20/05/28/739200528.db2.gz HAPUDVFIGWLHFH-XUXIUFHCSA-N 1 1 339.386 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000973410361 739223159 /nfs/dbraw/zinc/22/31/59/739223159.db2.gz HCIOMNVTMHMCMS-MTSZKFMLSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000973410361 739223162 /nfs/dbraw/zinc/22/31/62/739223162.db2.gz HCIOMNVTMHMCMS-MTSZKFMLSA-N 1 1 347.459 0.663 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCN(C)C2=O)nn1 ZINC001028193273 751435175 /nfs/dbraw/zinc/43/51/75/751435175.db2.gz ZNXTWJSFBARMRD-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCN(C)C2=O)nn1 ZINC001028193273 751435181 /nfs/dbraw/zinc/43/51/81/751435181.db2.gz ZNXTWJSFBARMRD-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001025392605 739361623 /nfs/dbraw/zinc/36/16/23/739361623.db2.gz YPDUUJCWVQBDFP-CHWSQXEVSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)C1=O ZINC000982000760 751440461 /nfs/dbraw/zinc/44/04/61/751440461.db2.gz UYBNKBNCQYNRBF-BZUAXINKSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)C1=O ZINC000982000760 751440464 /nfs/dbraw/zinc/44/04/64/751440464.db2.gz UYBNKBNCQYNRBF-BZUAXINKSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001112018056 739468450 /nfs/dbraw/zinc/46/84/50/739468450.db2.gz YZNRTJZWFQVZKY-RDJZCZTQSA-N 1 1 333.436 0.842 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC23CCN(c2ccnc(C#N)n2)CC3)C1 ZINC001058636292 739539241 /nfs/dbraw/zinc/53/92/41/739539241.db2.gz CRPTUYCOFAVPIF-KGLIPLIRSA-N 1 1 340.431 0.775 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001025478462 739636663 /nfs/dbraw/zinc/63/66/63/739636663.db2.gz QFOCMCFSMBFOSG-HUUCEWRRSA-N 1 1 348.447 0.906 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2O)C1 ZINC001025541802 739702365 /nfs/dbraw/zinc/70/23/65/739702365.db2.gz CSUTWHBQWHWYSM-OWCLPIDISA-N 1 1 349.475 0.903 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001025591786 739753683 /nfs/dbraw/zinc/75/36/83/739753683.db2.gz HSCMEHDUHBJOSA-RYUDHWBXSA-N 1 1 348.403 0.750 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCO)C1 ZINC001025598166 739762942 /nfs/dbraw/zinc/76/29/42/739762942.db2.gz VLLKPXKBTPXOCI-CABCVRRESA-N 1 1 331.416 0.916 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(=O)NC)C2)nc1 ZINC001025598290 739763313 /nfs/dbraw/zinc/76/33/13/739763313.db2.gz XZEATLDEECRCJH-DZGCQCFKSA-N 1 1 328.416 0.639 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001028202567 751478985 /nfs/dbraw/zinc/47/89/85/751478985.db2.gz CXYOQTNXADIHQX-ZDUSSCGKSA-N 1 1 327.388 0.549 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N ZINC001058653058 739791866 /nfs/dbraw/zinc/79/18/66/739791866.db2.gz LIUYDPOYMKSUPU-ZDUSSCGKSA-N 1 1 335.408 0.069 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC001006528249 751483664 /nfs/dbraw/zinc/48/36/64/751483664.db2.gz HIUYWKVNNBRXBJ-ZFWWWQNUSA-N 1 1 340.427 0.591 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C(N)=O)cs3)[C@H]2C1 ZINC001083285587 739856947 /nfs/dbraw/zinc/85/69/47/739856947.db2.gz WSBGVGCYAIAGRO-QWHCGFSZSA-N 1 1 335.429 0.948 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cccn2)C1=O ZINC001025688170 739865338 /nfs/dbraw/zinc/86/53/38/739865338.db2.gz PUJKMFJPNIFFOI-LJIZCISZSA-N 1 1 343.431 0.277 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(F)F)C1=O ZINC001025765301 739931725 /nfs/dbraw/zinc/93/17/25/739931725.db2.gz CDBFHDFBWCRKSC-QEHJDLSMSA-N 1 1 339.386 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3csnn3)C[C@H]21 ZINC001025814089 739996902 /nfs/dbraw/zinc/99/69/02/739996902.db2.gz PGYQIUKKTGPOES-PLPKTUSISA-N 1 1 345.472 0.743 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3csnn3)C[C@H]21 ZINC001025814089 739996905 /nfs/dbraw/zinc/99/69/05/739996905.db2.gz PGYQIUKKTGPOES-PLPKTUSISA-N 1 1 345.472 0.743 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006366 790306432 /nfs/dbraw/zinc/30/64/32/790306432.db2.gz SFZFZILYAPGVQD-BBWFWOEESA-N 1 1 346.479 0.928 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)CCO2 ZINC001068464005 790320371 /nfs/dbraw/zinc/32/03/71/790320371.db2.gz UFKGQUADFPKPAG-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C)cn3)[C@H]2C1 ZINC001083286767 740205803 /nfs/dbraw/zinc/20/58/03/740205803.db2.gz BWAWPYMSTNOKGN-DLBZAZTESA-N 1 1 328.416 0.696 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001026096504 740374970 /nfs/dbraw/zinc/37/49/70/740374970.db2.gz IEGIWMGZHDWBAJ-DZTUFKMZSA-N 1 1 349.475 0.881 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)C3(n4cnnn4)CCOCC3)C2)C1 ZINC000982063299 751544602 /nfs/dbraw/zinc/54/46/02/751544602.db2.gz LZTQFAIKOBFWIM-UHFFFAOYSA-N 1 1 346.435 0.289 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC000982064834 751545040 /nfs/dbraw/zinc/54/50/40/751545040.db2.gz YNWXGQVRPNHDBD-ZDUSSCGKSA-N 1 1 327.450 0.131 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cscn2)C1 ZINC000973947560 740652997 /nfs/dbraw/zinc/65/29/97/740652997.db2.gz UZULQWQUSHAYDB-SCRDCRAPSA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cscn2)C1 ZINC000973947560 740652998 /nfs/dbraw/zinc/65/29/98/740652998.db2.gz UZULQWQUSHAYDB-SCRDCRAPSA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC000974034022 740810004 /nfs/dbraw/zinc/81/00/04/740810004.db2.gz BXIKJVSRSIUULG-NCOADZHNSA-N 1 1 342.443 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC000974034022 740810010 /nfs/dbraw/zinc/81/00/10/740810010.db2.gz BXIKJVSRSIUULG-NCOADZHNSA-N 1 1 342.443 0.910 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@H]1C(F)(F)F ZINC001112061306 740851684 /nfs/dbraw/zinc/85/16/84/740851684.db2.gz SDCRHRSTWXFALN-IJLUTSLNSA-N 1 1 349.353 0.140 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CC(OCC)C2)C1 ZINC000974089027 740911368 /nfs/dbraw/zinc/91/13/68/740911368.db2.gz PEEIUNFKHNKIOJ-FXUHHZDVSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CC(OCC)C2)C1 ZINC000974089027 740911372 /nfs/dbraw/zinc/91/13/72/740911372.db2.gz PEEIUNFKHNKIOJ-FXUHHZDVSA-N 1 1 347.459 0.663 20 30 ECEDMO CC(C)C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104926503 740949072 /nfs/dbraw/zinc/94/90/72/740949072.db2.gz UQDMBJGYILOBET-DZGCQCFKSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104926503 740949073 /nfs/dbraw/zinc/94/90/73/740949073.db2.gz UQDMBJGYILOBET-DZGCQCFKSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104926321 740954922 /nfs/dbraw/zinc/95/49/22/740954922.db2.gz OPZBPOFMFYZUPY-KBPBESRZSA-N 1 1 346.435 0.044 20 30 ECEDMO CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104926321 740954926 /nfs/dbraw/zinc/95/49/26/740954926.db2.gz OPZBPOFMFYZUPY-KBPBESRZSA-N 1 1 346.435 0.044 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC000974143383 741000506 /nfs/dbraw/zinc/00/05/06/741000506.db2.gz QBBWQGDDRQBNFQ-YIYPIFLZSA-N 1 1 346.435 0.039 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000974150413 741019667 /nfs/dbraw/zinc/01/96/67/741019667.db2.gz JWOBFCXYMHTAOF-ZACQAIPSSA-N 1 1 325.412 0.997 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000974194265 741082822 /nfs/dbraw/zinc/08/28/22/741082822.db2.gz LAXBMBCHQVSCIP-ZNMIVQPWSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000974194265 741082826 /nfs/dbraw/zinc/08/28/26/741082826.db2.gz LAXBMBCHQVSCIP-ZNMIVQPWSA-N 1 1 335.448 0.827 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C)cn1 ZINC001020440341 751612114 /nfs/dbraw/zinc/61/21/14/751612114.db2.gz QANKSHOQRRBANV-RRQGHBQHSA-N 1 1 340.427 0.876 20 30 ECEDMO N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001059857293 751612925 /nfs/dbraw/zinc/61/29/25/751612925.db2.gz WZVMQVASFKNCLF-QKPAOTATSA-N 1 1 341.415 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(CC)on2)C1 ZINC000974265041 741196280 /nfs/dbraw/zinc/19/62/80/741196280.db2.gz JTEABYIAFYZMGK-ZENOOKHLSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(CC)on2)C1 ZINC000974265041 741196284 /nfs/dbraw/zinc/19/62/84/741196284.db2.gz JTEABYIAFYZMGK-ZENOOKHLSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]cnc2CC)C1 ZINC000974265631 741197532 /nfs/dbraw/zinc/19/75/32/741197532.db2.gz QOXCGCMELAFOJM-GUTXKFCHSA-N 1 1 343.431 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]cnc2CC)C1 ZINC000974265631 741197535 /nfs/dbraw/zinc/19/75/35/741197535.db2.gz QOXCGCMELAFOJM-GUTXKFCHSA-N 1 1 343.431 0.447 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nc(CC)no1 ZINC001038369083 741256050 /nfs/dbraw/zinc/25/60/50/741256050.db2.gz SWLWJTRKDAQQQB-KGLIPLIRSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nc(CC)no1 ZINC001038369083 741256054 /nfs/dbraw/zinc/25/60/54/741256054.db2.gz SWLWJTRKDAQQQB-KGLIPLIRSA-N 1 1 331.420 0.420 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC000974344599 741358848 /nfs/dbraw/zinc/35/88/48/741358848.db2.gz DCCKTWYBZIZVQQ-OJLVUWQFSA-N 1 1 340.427 0.638 20 30 ECEDMO CC(C)OCC[NH2+]Cc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1 ZINC001105238050 741524354 /nfs/dbraw/zinc/52/43/54/741524354.db2.gz HXVNDCHUQTZRJJ-UHFFFAOYSA-N 1 1 331.420 0.589 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C4CC4)n(C)n3)C2)nn1 ZINC001105256863 741572637 /nfs/dbraw/zinc/57/26/37/741572637.db2.gz WLVFDJYFJLJSAA-UHFFFAOYSA-N 1 1 341.419 0.862 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@@H]3C(C)C)C2)nn1 ZINC001105259683 741581940 /nfs/dbraw/zinc/58/19/40/741581940.db2.gz IBHAUXMTPADJAW-HZPDHXFCSA-N 1 1 333.436 0.998 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001105264379 741595201 /nfs/dbraw/zinc/59/52/01/741595201.db2.gz HAURRTSXTLIIEU-INIZCTEOSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264379 741595205 /nfs/dbraw/zinc/59/52/05/741595205.db2.gz HAURRTSXTLIIEU-INIZCTEOSA-N 1 1 344.463 0.649 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)Nc1ccnc(C#N)n1 ZINC001105265918 741602755 /nfs/dbraw/zinc/60/27/55/741602755.db2.gz HSERHKFXVDOSIH-KGLIPLIRSA-N 1 1 330.436 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C ZINC001026618415 741619900 /nfs/dbraw/zinc/61/99/00/741619900.db2.gz QXFGFFHNVKSNHL-KFWWJZLASA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C ZINC001026618415 741619901 /nfs/dbraw/zinc/61/99/01/741619901.db2.gz QXFGFFHNVKSNHL-KFWWJZLASA-N 1 1 343.431 0.392 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)nn1 ZINC001105275279 741621128 /nfs/dbraw/zinc/62/11/28/741621128.db2.gz JMYGBJNVWRHQGL-QGZVFWFLSA-N 1 1 344.463 0.505 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4nccn4c3)C2)nn1 ZINC001105283311 741641244 /nfs/dbraw/zinc/64/12/44/741641244.db2.gz JSOBQJPNLGMWAW-UHFFFAOYSA-N 1 1 338.375 0.294 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC001026695888 741680853 /nfs/dbraw/zinc/68/08/53/741680853.db2.gz VJACFAOFHZELSD-UKRRQHHQSA-N 1 1 345.447 0.811 20 30 ECEDMO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F ZINC001112097761 741694531 /nfs/dbraw/zinc/69/45/31/741694531.db2.gz LCJRODNKXRMFCU-CHWSQXEVSA-N 1 1 345.365 0.905 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000982161654 751668995 /nfs/dbraw/zinc/66/89/95/751668995.db2.gz ZVGSGJZWVLWLCS-OAHLLOKOSA-N 1 1 327.432 0.788 20 30 ECEDMO CN(C)c1noc(C[NH2+]C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001026795045 741840630 /nfs/dbraw/zinc/84/06/30/741840630.db2.gz XUZOEVNAHFMNRF-LLVKDONJSA-N 1 1 343.391 0.587 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974534883 741877394 /nfs/dbraw/zinc/87/73/94/741877394.db2.gz BWANPFHWKFTBGZ-HUUCEWRRSA-N 1 1 342.399 0.993 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974752820 742147355 /nfs/dbraw/zinc/14/73/55/742147355.db2.gz MRJDUWIUGXGJMV-LBPRGKRZSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C(C)(C)C1 ZINC000974855687 742265022 /nfs/dbraw/zinc/26/50/22/742265022.db2.gz PBRCIESZCFRTJG-HNNXBMFYSA-N 1 1 327.388 0.993 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C(C)(C)C1 ZINC000974855687 742265026 /nfs/dbraw/zinc/26/50/26/742265026.db2.gz PBRCIESZCFRTJG-HNNXBMFYSA-N 1 1 327.388 0.993 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC2CCC2)C(C)(C)C1 ZINC000974871241 742284760 /nfs/dbraw/zinc/28/47/60/742284760.db2.gz KHUOJTPJWAQXAA-IAGOWNOFSA-N 1 1 333.476 0.947 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000974894719 742302848 /nfs/dbraw/zinc/30/28/48/742302848.db2.gz MFDKCRAEWGNWOE-LLVKDONJSA-N 1 1 330.396 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3cnoc3)C(C)(C)C2)C1=O ZINC000974936132 742376624 /nfs/dbraw/zinc/37/66/24/742376624.db2.gz QWLSVRQDKMQYSU-LSDHHAIUSA-N 1 1 346.431 0.831 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3cnoc3)C(C)(C)C2)C1=O ZINC000974936132 742376630 /nfs/dbraw/zinc/37/66/30/742376630.db2.gz QWLSVRQDKMQYSU-LSDHHAIUSA-N 1 1 346.431 0.831 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)C1=O ZINC000974967682 742394900 /nfs/dbraw/zinc/39/49/00/742394900.db2.gz AQLYYDMGQXNJNV-JKJDWNRSSA-N 1 1 347.459 0.492 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)C1=O ZINC000974967682 742394905 /nfs/dbraw/zinc/39/49/05/742394905.db2.gz AQLYYDMGQXNJNV-JKJDWNRSSA-N 1 1 347.459 0.492 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000975067910 742470761 /nfs/dbraw/zinc/47/07/61/742470761.db2.gz ZVUIBCKTVQUTKK-KGLIPLIRSA-N 1 1 330.436 0.476 20 30 ECEDMO C=CCC[NH+]1CCN(C2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)CC1 ZINC000996787114 742863559 /nfs/dbraw/zinc/86/35/59/742863559.db2.gz BWZIDHPWMQYOEL-BACDZXNISA-N 1 1 348.491 0.729 20 30 ECEDMO C#CCCN1CC[NH+](C2CCC(NC(=O)c3ncn[nH]3)CC2)CC1 ZINC000996789973 742867773 /nfs/dbraw/zinc/86/77/73/742867773.db2.gz SZLQGKCTZPEWSS-UHFFFAOYSA-N 1 1 330.436 0.487 20 30 ECEDMO C#CCCN1CC[NH+](C2CCC(NC(=O)c3nc[nH]n3)CC2)CC1 ZINC000996789973 742867784 /nfs/dbraw/zinc/86/77/84/742867784.db2.gz SZLQGKCTZPEWSS-UHFFFAOYSA-N 1 1 330.436 0.487 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC001028935484 742915362 /nfs/dbraw/zinc/91/53/62/742915362.db2.gz DQXMMWUJUDHAKA-CZUORRHYSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001028937035 742921389 /nfs/dbraw/zinc/92/13/89/742921389.db2.gz BFGAPZWBJQGFOO-KGLIPLIRSA-N 1 1 340.427 0.782 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)c1 ZINC001041981781 782541203 /nfs/dbraw/zinc/54/12/03/782541203.db2.gz GMUWORHVWRYBEM-CVEARBPZSA-N 1 1 326.400 0.856 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001028962829 743006951 /nfs/dbraw/zinc/00/69/51/743006951.db2.gz BUZSYFQRNHGPAF-UONOGXRCSA-N 1 1 329.828 0.424 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001028962829 743006957 /nfs/dbraw/zinc/00/69/57/743006957.db2.gz BUZSYFQRNHGPAF-UONOGXRCSA-N 1 1 329.828 0.424 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001028980781 743061201 /nfs/dbraw/zinc/06/12/01/743061201.db2.gz XIYXZXYRWMKAEV-SNVBAGLBSA-N 1 1 326.784 0.290 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC001125998222 743158065 /nfs/dbraw/zinc/15/80/65/743158065.db2.gz NAYALTJIHXKDJS-UHFFFAOYSA-N 1 1 336.461 0.786 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000997055461 743176884 /nfs/dbraw/zinc/17/68/84/743176884.db2.gz AEJWABOYYWHZNY-OAHLLOKOSA-N 1 1 342.399 0.128 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cn(CC)nn2)C1=O ZINC001028231969 751802623 /nfs/dbraw/zinc/80/26/23/751802623.db2.gz ZSEJDXPVQCVBJD-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cn(CC)nn2)C1=O ZINC001028231969 751802637 /nfs/dbraw/zinc/80/26/37/751802637.db2.gz ZSEJDXPVQCVBJD-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#C)nc2)C1 ZINC000997104565 743240817 /nfs/dbraw/zinc/24/08/17/743240817.db2.gz UNUGIUKQKKGUCE-KRWDZBQOSA-N 1 1 336.395 0.101 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#C)nc2)C1 ZINC000997104565 743240823 /nfs/dbraw/zinc/24/08/23/743240823.db2.gz UNUGIUKQKKGUCE-KRWDZBQOSA-N 1 1 336.395 0.101 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncccc2OC)C1 ZINC000997216768 743359580 /nfs/dbraw/zinc/35/95/80/743359580.db2.gz YKFOZKDLYZDXOU-AWEZNQCLSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncccc2OC)C1 ZINC000997216768 743359584 /nfs/dbraw/zinc/35/95/84/743359584.db2.gz YKFOZKDLYZDXOU-AWEZNQCLSA-N 1 1 342.399 0.128 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccnc(C#N)n1 ZINC001126472658 743402485 /nfs/dbraw/zinc/40/24/85/743402485.db2.gz JXIJQFICVYUOSM-AWEZNQCLSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)C3=COCCO3)C2)C1=O ZINC001027282986 743437532 /nfs/dbraw/zinc/43/75/32/743437532.db2.gz DJUQOQUDRBMHQR-GJZGRUSLSA-N 1 1 349.431 0.584 20 30 ECEDMO C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000997331702 743498195 /nfs/dbraw/zinc/49/81/95/743498195.db2.gz DZCPRXKZYUGKBO-UKRRQHHQSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([NH2+][C@H](CC)C(N)=O)CC2)CC1 ZINC000997365313 743536741 /nfs/dbraw/zinc/53/67/41/743536741.db2.gz RDRUIBUXEOLOBS-MRXNPFEDSA-N 1 1 334.464 0.176 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001059170798 743544094 /nfs/dbraw/zinc/54/40/94/743544094.db2.gz RQBYFRWCAIOJIU-GVXVVHGQSA-N 1 1 335.433 0.713 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001059170798 743544098 /nfs/dbraw/zinc/54/40/98/743544098.db2.gz RQBYFRWCAIOJIU-GVXVVHGQSA-N 1 1 335.433 0.713 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CN(C(=O)CS(=O)(=O)CCOC)C[C@]2(C)C1 ZINC001101281920 743551104 /nfs/dbraw/zinc/55/11/04/743551104.db2.gz HQPHRIBZMREOQL-HIFRSBDPSA-N 1 1 330.450 0.014 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)CS(=O)(=O)CCOC)C[C@]2(C)C1 ZINC001101281920 743551109 /nfs/dbraw/zinc/55/11/09/743551109.db2.gz HQPHRIBZMREOQL-HIFRSBDPSA-N 1 1 330.450 0.014 20 30 ECEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027343799 743825874 /nfs/dbraw/zinc/82/58/74/743825874.db2.gz HMYYCBGFHHRCAU-HNNXBMFYSA-N 1 1 344.415 0.887 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976360244 743875301 /nfs/dbraw/zinc/87/53/01/743875301.db2.gz AQZUHZAZLDOXGF-HSMHQDCBSA-N 1 1 341.415 0.271 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000976360675 743875907 /nfs/dbraw/zinc/87/59/07/743875907.db2.gz DVNBNDGOZNSWDK-CVGURMSBSA-N 1 1 341.415 0.415 20 30 ECEDMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027354515 743896391 /nfs/dbraw/zinc/89/63/91/743896391.db2.gz GGXVNDQAEVQTBH-CQSZACIVSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027354515 743896397 /nfs/dbraw/zinc/89/63/97/743896397.db2.gz GGXVNDQAEVQTBH-CQSZACIVSA-N 1 1 329.404 0.655 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3C#N)C2)O1 ZINC001059872576 751869943 /nfs/dbraw/zinc/86/99/43/751869943.db2.gz BCJIEBPMTOBQGE-OEYIWLLWSA-N 1 1 329.404 0.153 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3C#N)C2)O1 ZINC001059872576 751869948 /nfs/dbraw/zinc/86/99/48/751869948.db2.gz BCJIEBPMTOBQGE-OEYIWLLWSA-N 1 1 329.404 0.153 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027354632 743916682 /nfs/dbraw/zinc/91/66/82/743916682.db2.gz HZNCFCFWCLYVDA-CQSZACIVSA-N 1 1 344.419 0.448 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000976409507 743919986 /nfs/dbraw/zinc/91/99/86/743919986.db2.gz TZNORRUHCQAGIE-VWOPQJGGSA-N 1 1 341.415 0.271 20 30 ECEDMO C#CCCCC(=O)NCC[NH2+]Cc1nnnn1CC1CCOCC1 ZINC001126339231 751872780 /nfs/dbraw/zinc/87/27/80/751872780.db2.gz SSGBTABAEOKSBY-UHFFFAOYSA-N 1 1 334.424 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]ccc1C ZINC000976420747 743941008 /nfs/dbraw/zinc/94/10/08/743941008.db2.gz HCIJYMKDVAMRSW-QSJFSLAZSA-N 1 1 340.427 0.607 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]ccc1C ZINC000976420747 743941010 /nfs/dbraw/zinc/94/10/10/743941010.db2.gz HCIJYMKDVAMRSW-QSJFSLAZSA-N 1 1 340.427 0.607 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncccc3C#N)C2)O1 ZINC001059873009 751873707 /nfs/dbraw/zinc/87/37/07/751873707.db2.gz QJQCLUXURRVJLP-REBRKWNGSA-N 1 1 329.404 0.731 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncccc3C#N)C2)O1 ZINC001059873009 751873719 /nfs/dbraw/zinc/87/37/19/751873719.db2.gz QJQCLUXURRVJLP-REBRKWNGSA-N 1 1 329.404 0.731 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000998154605 744011159 /nfs/dbraw/zinc/01/11/59/744011159.db2.gz KFANGZZZMAFYIJ-HNNXBMFYSA-N 1 1 333.432 0.766 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 ZINC000976518417 744031584 /nfs/dbraw/zinc/03/15/84/744031584.db2.gz RORMWSAFXFWBCO-CXTNEJHOSA-N 1 1 329.404 0.739 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000976511041 744040373 /nfs/dbraw/zinc/04/03/73/744040373.db2.gz OILVBSYAHVMVME-RXYDEIHYSA-N 1 1 341.455 0.847 20 30 ECEDMO C[N@@H+](CCn1cncn1)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027373861 744040563 /nfs/dbraw/zinc/04/05/63/744040563.db2.gz VFUSMUZOSKLFTE-HNNXBMFYSA-N 1 1 327.392 0.714 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000998194479 744043147 /nfs/dbraw/zinc/04/31/47/744043147.db2.gz DCUSQKGMRDJNIZ-CQSZACIVSA-N 1 1 346.435 0.103 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001058770678 744044282 /nfs/dbraw/zinc/04/42/82/744044282.db2.gz AGOWFYASYGGICI-HNNXBMFYSA-N 1 1 337.464 0.622 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000976547156 744070772 /nfs/dbraw/zinc/07/07/72/744070772.db2.gz OYYWQUBJUUEKFI-FFRIZKCHSA-N 1 1 347.459 0.492 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982291627 751886819 /nfs/dbraw/zinc/88/68/19/751886819.db2.gz SKDPMHANUUNDNM-DOPJRALCSA-N 1 1 331.416 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc[nH]1 ZINC000976609191 744140948 /nfs/dbraw/zinc/14/09/48/744140948.db2.gz CZYDMQZQJMQMEV-UIBIWLFHSA-N 1 1 340.427 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc[nH]1 ZINC000976609191 744140952 /nfs/dbraw/zinc/14/09/52/744140952.db2.gz CZYDMQZQJMQMEV-UIBIWLFHSA-N 1 1 340.427 0.228 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 ZINC000976676269 744187558 /nfs/dbraw/zinc/18/75/58/744187558.db2.gz SWAWPIFZRPMWDW-LVNYTYFRSA-N 1 1 332.448 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(CF)CC3)C[C@H]21 ZINC000976736471 744261870 /nfs/dbraw/zinc/26/18/70/744261870.db2.gz MYTJHCFSZXZSNW-LJISPDSOSA-N 1 1 333.407 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(CF)CC3)C[C@H]21 ZINC000976736471 744261874 /nfs/dbraw/zinc/26/18/74/744261874.db2.gz MYTJHCFSZXZSNW-LJISPDSOSA-N 1 1 333.407 0.407 20 30 ECEDMO CCCn1nnnc1C[NH2+]C1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000998654506 744270009 /nfs/dbraw/zinc/27/00/09/744270009.db2.gz LEZMVHOIRKPOFH-UHFFFAOYSA-N 1 1 342.407 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC(F)(F)F)C[C@H]21 ZINC000976740893 744276414 /nfs/dbraw/zinc/27/64/14/744276414.db2.gz OAGDDSZQCBXWQR-KZVDOYCCSA-N 1 1 343.349 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC(F)(F)F)C[C@H]21 ZINC000976740893 744276415 /nfs/dbraw/zinc/27/64/15/744276415.db2.gz OAGDDSZQCBXWQR-KZVDOYCCSA-N 1 1 343.349 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCO1 ZINC000976816115 744349022 /nfs/dbraw/zinc/34/90/22/744349022.db2.gz WAJDIFBXVBPWLW-WCXIOVBPSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCO1 ZINC000976816115 744349027 /nfs/dbraw/zinc/34/90/27/744349027.db2.gz WAJDIFBXVBPWLW-WCXIOVBPSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1CCC2 ZINC000976957224 744514236 /nfs/dbraw/zinc/51/42/36/744514236.db2.gz JUOIBAGYYJVSKR-XILPYWAXSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1CCC2 ZINC000976957224 744514237 /nfs/dbraw/zinc/51/42/37/744514237.db2.gz JUOIBAGYYJVSKR-XILPYWAXSA-N 1 1 341.455 0.847 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000999312629 744618492 /nfs/dbraw/zinc/61/84/92/744618492.db2.gz ZVJAQSLLZLVQBA-AWEZNQCLSA-N 1 1 326.400 0.345 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]31)CC2 ZINC000977076330 744640432 /nfs/dbraw/zinc/64/04/32/744640432.db2.gz SXKMFBZCOZNMAV-DJJNUCPWSA-N 1 1 341.415 0.487 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cncn3C)C2)C1=O ZINC001027482642 744736611 /nfs/dbraw/zinc/73/66/11/744736611.db2.gz FDTJMXGZUASDDF-LSDHHAIUSA-N 1 1 345.447 0.743 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000977206931 744767930 /nfs/dbraw/zinc/76/79/30/744767930.db2.gz HAFZNSUAUAILRP-UYLCMAPUSA-N 1 1 341.415 0.271 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@@H+](Cc3cnn(C)c3)CC2(C)C)nn1 ZINC000977249438 744807341 /nfs/dbraw/zinc/80/73/41/744807341.db2.gz HPXARYUMGBKHEV-HNNXBMFYSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+](Cc3cnn(C)c3)CC2(C)C)nn1 ZINC000977249438 744807345 /nfs/dbraw/zinc/80/73/45/744807345.db2.gz HPXARYUMGBKHEV-HNNXBMFYSA-N 1 1 343.435 0.838 20 30 ECEDMO C#CCN1CCC(C(=O)N(C)C2CC([NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC000999876644 744984623 /nfs/dbraw/zinc/98/46/23/744984623.db2.gz QODOBESUJUTQTH-ZLPCBKJTSA-N 1 1 333.476 0.947 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)c1 ZINC000999906118 745043929 /nfs/dbraw/zinc/04/39/29/745043929.db2.gz SAAREXQZLDHDSF-UHFFFAOYSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CN(C)CCO3)nn2)C1 ZINC000999970266 745117416 /nfs/dbraw/zinc/11/74/16/745117416.db2.gz AYQDVJQEHNDEIR-JKSUJKDBSA-N 1 1 348.451 0.048 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC000999971756 745120031 /nfs/dbraw/zinc/12/00/31/745120031.db2.gz PIYABIKHMLXQOE-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 ZINC000999975158 745123906 /nfs/dbraw/zinc/12/39/06/745123906.db2.gz PFIVXCOFJKEIEW-CQSZACIVSA-N 1 1 325.376 0.841 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3coc(CC)n3)nn2)C1 ZINC000999976290 745125691 /nfs/dbraw/zinc/12/56/91/745125691.db2.gz SZJKKGRPSMQKSD-CYBMUJFWSA-N 1 1 328.376 0.639 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)ncn3)nn2)C1 ZINC000999980316 745130875 /nfs/dbraw/zinc/13/08/75/745130875.db2.gz NASHHXQGCVCZQS-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnn3CC)nn2)C1 ZINC000999980416 745130964 /nfs/dbraw/zinc/13/09/64/745130964.db2.gz NTZIFSNPFYVAQR-AWEZNQCLSA-N 1 1 327.392 0.305 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC000999983616 745135690 /nfs/dbraw/zinc/13/56/90/745135690.db2.gz IWDAZJSQZWWRHP-HNNXBMFYSA-N 1 1 325.376 0.268 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)CC2(C)C)cn1 ZINC000977524906 745143463 /nfs/dbraw/zinc/14/34/63/745143463.db2.gz MKEICWPZRDUEFE-WFASDCNBSA-N 1 1 328.416 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)cn1 ZINC000977524906 745143469 /nfs/dbraw/zinc/14/34/69/745143469.db2.gz MKEICWPZRDUEFE-WFASDCNBSA-N 1 1 328.416 0.638 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)nn2)C1 ZINC000999991320 745148207 /nfs/dbraw/zinc/14/82/07/745148207.db2.gz KZAJNDUMRLYVBJ-FVQBIDKESA-N 1 1 348.451 0.046 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CCC)C2)nn1 ZINC000999995086 745153973 /nfs/dbraw/zinc/15/39/73/745153973.db2.gz CVRVRTZMQBYNJO-SJORKVTESA-N 1 1 344.463 0.649 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999995453 745154592 /nfs/dbraw/zinc/15/45/92/745154592.db2.gz GHFJPUNULYPDIC-SJORKVTESA-N 1 1 344.463 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999995453 745154595 /nfs/dbraw/zinc/15/45/95/745154595.db2.gz GHFJPUNULYPDIC-SJORKVTESA-N 1 1 344.463 0.649 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3COCCN3CC)nn2)C1 ZINC001000002057 745164922 /nfs/dbraw/zinc/16/49/22/745164922.db2.gz GSIRMBXZSZROEU-CVEARBPZSA-N 1 1 348.451 0.048 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnnc3C)nn2)C1 ZINC001000001716 745165328 /nfs/dbraw/zinc/16/53/28/745165328.db2.gz FQXVQZMKLPRUQV-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)n3C)nn2)C1 ZINC001000008609 745176356 /nfs/dbraw/zinc/17/63/56/745176356.db2.gz JGWGAZVWOXEWRH-CQSZACIVSA-N 1 1 329.408 0.683 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)nn2)C1 ZINC001000011408 745180265 /nfs/dbraw/zinc/18/02/65/745180265.db2.gz UVHCWQRVYKHWOH-ZOBUZTSGSA-N 1 1 344.463 0.505 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)nn2)C1 ZINC001000011408 745180269 /nfs/dbraw/zinc/18/02/69/745180269.db2.gz UVHCWQRVYKHWOH-ZOBUZTSGSA-N 1 1 344.463 0.505 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001000022446 745192814 /nfs/dbraw/zinc/19/28/14/745192814.db2.gz OLYIGSLAHOIZBN-CABCVRRESA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CCOC)C2)nn1 ZINC001000026840 745198758 /nfs/dbraw/zinc/19/87/58/745198758.db2.gz WUPFAVJZRCXJRQ-XHSDSOJGSA-N 1 1 349.435 0.379 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)n[nH]c3C)nn2)C1 ZINC001000026653 745198844 /nfs/dbraw/zinc/19/88/44/745198844.db2.gz BJBSEMZQKJGVFL-HNNXBMFYSA-N 1 1 341.419 0.818 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)Cc2nc3ncccn3n2)C(C)(C)C1 ZINC000977579374 745204167 /nfs/dbraw/zinc/20/41/67/745204167.db2.gz RNKMXZGQFIJQRX-ZDUSSCGKSA-N 1 1 326.404 0.517 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(C)cc3=O)nn2)C1 ZINC001000034901 745210439 /nfs/dbraw/zinc/21/04/39/745210439.db2.gz JJSYONRGBDANBD-CQSZACIVSA-N 1 1 342.403 0.638 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(CC)cn3)nn2)C1 ZINC001000035887 745212732 /nfs/dbraw/zinc/21/27/32/745212732.db2.gz QLDCJSHBBIPQOI-CQSZACIVSA-N 1 1 327.392 0.305 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nocc3C)nn2)C1 ZINC001000035968 745212812 /nfs/dbraw/zinc/21/28/12/745212812.db2.gz RPUJWDULPVKKCV-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C#C)cn3)nn2)C1 ZINC001000036477 745213895 /nfs/dbraw/zinc/21/38/95/745213895.db2.gz TWZMUONZFPJRQF-INIZCTEOSA-N 1 1 334.383 0.464 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnc(C)n3)nn2)C1 ZINC001000042253 745222131 /nfs/dbraw/zinc/22/21/31/745222131.db2.gz LASXDVAKOIGSJW-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)COC[C@H]3CCCO3)C2)nn1 ZINC001105384612 745254663 /nfs/dbraw/zinc/25/46/63/745254663.db2.gz KYRFCKSKXMQPBH-MRXNPFEDSA-N 1 1 349.435 0.523 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059235095 745299371 /nfs/dbraw/zinc/29/93/71/745299371.db2.gz IVWWYWYKQFKLOP-YDHLFZDLSA-N 1 1 347.394 0.872 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059235095 745299374 /nfs/dbraw/zinc/29/93/74/745299374.db2.gz IVWWYWYKQFKLOP-YDHLFZDLSA-N 1 1 347.394 0.872 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000977622836 745310103 /nfs/dbraw/zinc/31/01/03/745310103.db2.gz SUAOPKXBPJASOO-ZDUSSCGKSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001006944093 751993835 /nfs/dbraw/zinc/99/38/35/751993835.db2.gz CRNXYROEYYGQCG-DZGCQCFKSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001006944093 751993838 /nfs/dbraw/zinc/99/38/38/751993838.db2.gz CRNXYROEYYGQCG-DZGCQCFKSA-N 1 1 331.420 0.699 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027552345 745402107 /nfs/dbraw/zinc/40/21/07/745402107.db2.gz VMVLTRWRWJACLD-JKSUJKDBSA-N 1 1 341.415 0.662 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000342826 745440458 /nfs/dbraw/zinc/44/04/58/745440458.db2.gz PPRJRLDAEXFOGO-XKQJLSEDSA-N 1 1 340.427 0.818 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnccn4)[C@@H]3C2)C1=O ZINC000977727880 745445400 /nfs/dbraw/zinc/44/54/00/745445400.db2.gz IPIVNTZLYNTDRW-AYDFFVQHSA-N 1 1 341.415 0.171 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)C3=COCCO3)CC2)C1=O ZINC001000397724 745474971 /nfs/dbraw/zinc/47/49/71/745474971.db2.gz KKSNNGBYUWGITK-HNNXBMFYSA-N 1 1 347.415 0.410 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1nc(C)c[nH]1 ZINC000977767486 745494166 /nfs/dbraw/zinc/49/41/66/745494166.db2.gz DLEOOPKGDJYMQG-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1nc(C)c[nH]1 ZINC000977767486 745494168 /nfs/dbraw/zinc/49/41/68/745494168.db2.gz DLEOOPKGDJYMQG-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000977807018 745526931 /nfs/dbraw/zinc/52/69/31/745526931.db2.gz AKFUZCNJCJWNOL-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000977807018 745526935 /nfs/dbraw/zinc/52/69/35/745526935.db2.gz AKFUZCNJCJWNOL-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@]2(C)C1 ZINC000982345114 752010399 /nfs/dbraw/zinc/01/03/99/752010399.db2.gz PDVXLCJVHRZXSB-HDICACEKSA-N 1 1 346.431 0.695 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4COCCO4)[C@@H]3C2)s1 ZINC000977833454 745532644 /nfs/dbraw/zinc/53/26/44/745532644.db2.gz DHSWWHWGJXTFDD-JONQDZQNSA-N 1 1 347.440 0.829 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CCC[C@H]1C)c1nccnc1C#N ZINC001126513954 745556085 /nfs/dbraw/zinc/55/60/85/745556085.db2.gz YVGXRAYNDXKKMP-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3n[nH]cc3F)C2)C1=O ZINC001027566520 745561498 /nfs/dbraw/zinc/56/14/98/745561498.db2.gz KEMOKMVOPCOVIE-OCCSQVGLSA-N 1 1 349.410 0.872 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cn[nH]c4)[C@@H]3C2)C1=O ZINC000977860514 745592382 /nfs/dbraw/zinc/59/23/82/745592382.db2.gz LAOFBVAPBOONFW-APIJFGDWSA-N 1 1 329.404 0.104 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H]3CCNC3=O)C2)c1 ZINC001027568593 745595759 /nfs/dbraw/zinc/59/57/59/745595759.db2.gz NSUYJCLMPMNPPF-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4ncnn4)[C@@H]3C2)cc1 ZINC001075797236 745596650 /nfs/dbraw/zinc/59/66/50/745596650.db2.gz YVIBSZXRUKITRX-JKSUJKDBSA-N 1 1 337.387 0.278 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001000563011 745597770 /nfs/dbraw/zinc/59/77/70/745597770.db2.gz METGKYUSQWVEFG-LBPRGKRZSA-N 1 1 329.404 0.725 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3COC(=O)N3)CC2)c1 ZINC001000641437 745656853 /nfs/dbraw/zinc/65/68/53/745656853.db2.gz ZBZBOAUPTHEZLG-INIZCTEOSA-N 1 1 340.383 0.915 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncoc4C)[C@@H]3C2)C1=O ZINC000977911707 745664286 /nfs/dbraw/zinc/66/42/86/745664286.db2.gz OJEZZMRNTTUBBN-APIJFGDWSA-N 1 1 344.415 0.678 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1ccon1 ZINC000977930288 745686738 /nfs/dbraw/zinc/68/67/38/745686738.db2.gz SAWBCHHKFPFRMM-CVEARBPZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1ccon1 ZINC000977930288 745686743 /nfs/dbraw/zinc/68/67/43/745686743.db2.gz SAWBCHHKFPFRMM-CVEARBPZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccnn1C ZINC000977931102 745688088 /nfs/dbraw/zinc/68/80/88/745688088.db2.gz TUIRDJVQMHJVJH-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccnn1C ZINC000977931102 745688090 /nfs/dbraw/zinc/68/80/90/745688090.db2.gz TUIRDJVQMHJVJH-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001000684045 745696028 /nfs/dbraw/zinc/69/60/28/745696028.db2.gz VRJSLFQBZOOULT-AWEZNQCLSA-N 1 1 327.388 0.144 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C#N)nn1 ZINC001126522978 745716350 /nfs/dbraw/zinc/71/63/50/745716350.db2.gz INWHZAFPCMPDJP-UKRRQHHQSA-N 1 1 346.435 0.115 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000984037094 745724183 /nfs/dbraw/zinc/72/41/83/745724183.db2.gz FMZRMQMGEOBIDG-LSDHHAIUSA-N 1 1 343.431 0.901 20 30 ECEDMO Cn1cc(CC[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)cn1 ZINC000978024618 745789804 /nfs/dbraw/zinc/78/98/04/745789804.db2.gz VHPXVAWAUVYBEN-PHZGNYQRSA-N 1 1 338.415 0.770 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001020726905 752034811 /nfs/dbraw/zinc/03/48/11/752034811.db2.gz YNKQAIMEPBAJQO-PEDHHIEDSA-N 1 1 334.424 0.489 20 30 ECEDMO Cn1nccc1CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978028594 745828969 /nfs/dbraw/zinc/82/89/69/745828969.db2.gz MJHJXSZPALUUQO-OSYLJGHBSA-N 1 1 338.415 0.770 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001059320429 745890122 /nfs/dbraw/zinc/89/01/22/745890122.db2.gz IRBUDIXUXYXXHZ-RBSFLKMASA-N 1 1 342.447 0.807 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC001000994974 745960168 /nfs/dbraw/zinc/96/01/68/745960168.db2.gz ONSCJOSRQCFBOY-UHFFFAOYSA-N 1 1 339.399 0.716 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nc(C)nn3C2)CC1 ZINC001000996524 745961548 /nfs/dbraw/zinc/96/15/48/745961548.db2.gz UQPGKTQPXGNBKR-INIZCTEOSA-N 1 1 327.432 0.921 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cncc(C#N)n1 ZINC001126537490 745979685 /nfs/dbraw/zinc/97/96/85/745979685.db2.gz ANROCTCMMJQFPF-UKRRQHHQSA-N 1 1 346.435 0.257 20 30 ECEDMO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083433157 752051290 /nfs/dbraw/zinc/05/12/90/752051290.db2.gz YKIYIVJFGNMFMX-SJORKVTESA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083433157 752051293 /nfs/dbraw/zinc/05/12/93/752051293.db2.gz YKIYIVJFGNMFMX-SJORKVTESA-N 1 1 339.399 0.196 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC=C(CNC(=O)[C@H]3CCNC3=O)CC2)c1 ZINC001001040773 746003291 /nfs/dbraw/zinc/00/32/91/746003291.db2.gz PQSJWMKFLQOGCS-KRWDZBQOSA-N 1 1 338.411 0.943 20 30 ECEDMO O=C(NCC1=CC[N@H+](CC#Cc2ccccc2)CC1)[C@@H]1CCNC1=O ZINC001001042207 746005925 /nfs/dbraw/zinc/00/59/25/746005925.db2.gz ZRZCCHCNDMBLFR-GOSISDBHSA-N 1 1 337.423 0.923 20 30 ECEDMO O=C(NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1)[C@@H]1CCNC1=O ZINC001001042207 746005932 /nfs/dbraw/zinc/00/59/32/746005932.db2.gz ZRZCCHCNDMBLFR-GOSISDBHSA-N 1 1 337.423 0.923 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027596709 746035223 /nfs/dbraw/zinc/03/52/23/746035223.db2.gz YXLCCSOINBIJRX-QWRGUYRKSA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027596709 746035230 /nfs/dbraw/zinc/03/52/30/746035230.db2.gz YXLCCSOINBIJRX-QWRGUYRKSA-N 1 1 328.800 0.260 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1CC ZINC001087570431 746074337 /nfs/dbraw/zinc/07/43/37/746074337.db2.gz RXQQWPCOXPUWEU-VNQPRFMTSA-N 1 1 343.431 0.755 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3ncccn3)C[C@H]21 ZINC000978280070 746141971 /nfs/dbraw/zinc/14/19/71/746141971.db2.gz IIZVOHDQNLEBGQ-NXOAAHMSSA-N 1 1 339.443 0.368 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3ncccn3)C[C@H]21 ZINC000978280070 746141975 /nfs/dbraw/zinc/14/19/75/746141975.db2.gz IIZVOHDQNLEBGQ-NXOAAHMSSA-N 1 1 339.443 0.368 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1CC ZINC001087649360 746151513 /nfs/dbraw/zinc/15/15/13/746151513.db2.gz IZOBAXDUVKCOBN-DZGCQCFKSA-N 1 1 332.404 0.106 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)OCC(=O)N4)[C@@H]2C1 ZINC000978299748 746170749 /nfs/dbraw/zinc/17/07/49/746170749.db2.gz MXTYDQFNGSSJBV-QKDCVEJESA-N 1 1 339.395 0.948 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)[C@H]3CCNC3=O)C2)nn1 ZINC001027611878 746204956 /nfs/dbraw/zinc/20/49/56/746204956.db2.gz XIRDOIBRUUTMDB-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087708054 746213840 /nfs/dbraw/zinc/21/38/40/746213840.db2.gz PMKDDBAPLSCAGI-ARFHVFGLSA-N 1 1 341.415 0.709 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC001001266071 746226658 /nfs/dbraw/zinc/22/66/58/746226658.db2.gz GQPRZKRLWGGIFI-UHFFFAOYSA-N 1 1 325.372 0.326 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)[C@@H]2CC)c1 ZINC001087718946 746235181 /nfs/dbraw/zinc/23/51/81/746235181.db2.gz RUAYINRZKVMDTR-JKSUJKDBSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H]2CC)c1 ZINC001087718946 746235183 /nfs/dbraw/zinc/23/51/83/746235183.db2.gz RUAYINRZKVMDTR-JKSUJKDBSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000978361547 746243507 /nfs/dbraw/zinc/24/35/07/746243507.db2.gz QGGAYTJNHOBRMR-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO Cn1nncc1C[NH+]1CCC(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001001319367 746275492 /nfs/dbraw/zinc/27/54/92/746275492.db2.gz CMPYNVMABVSYQR-UHFFFAOYSA-N 1 1 327.392 0.657 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2CC)nn1 ZINC001087753971 746286331 /nfs/dbraw/zinc/28/63/31/746286331.db2.gz IUWBFABSYFYFOK-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2CC)nn1 ZINC001087753971 746286336 /nfs/dbraw/zinc/28/63/36/746286336.db2.gz IUWBFABSYFYFOK-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001346902 746295064 /nfs/dbraw/zinc/29/50/64/746295064.db2.gz HWFGARDQRBSEJU-INIZCTEOSA-N 1 1 339.399 0.172 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001346902 746295066 /nfs/dbraw/zinc/29/50/66/746295066.db2.gz HWFGARDQRBSEJU-INIZCTEOSA-N 1 1 339.399 0.172 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001358233 746305781 /nfs/dbraw/zinc/30/57/81/746305781.db2.gz WSXRXHCJWCXRCP-MRXNPFEDSA-N 1 1 343.431 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@H]3CCN(C)C3=O)CC2)nc1 ZINC001001383321 746329315 /nfs/dbraw/zinc/32/93/15/746329315.db2.gz IPSNDMNPBWVIGJ-KRWDZBQOSA-N 1 1 338.411 0.656 20 30 ECEDMO C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC000982384564 752083680 /nfs/dbraw/zinc/08/36/80/752083680.db2.gz DAWPFBMAESQKAH-NCCNMHLXSA-N 1 1 344.459 0.544 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNc1ccc(C#N)nn1 ZINC001111495096 746372415 /nfs/dbraw/zinc/37/24/15/746372415.db2.gz ZNUFABYZTFMSJG-UHFFFAOYSA-N 1 1 334.424 0.313 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(Cn4ccnn4)o3)[C@@H]2C1 ZINC000978503490 746379636 /nfs/dbraw/zinc/37/96/36/746379636.db2.gz BMDVVSLLLRRRGP-QKDCVEJESA-N 1 1 325.372 0.460 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1CC ZINC001087813842 746385588 /nfs/dbraw/zinc/38/55/88/746385588.db2.gz JQJPEKCYHDEDDV-QWHCGFSZSA-N 1 1 341.843 0.612 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1CC ZINC001087813842 746385593 /nfs/dbraw/zinc/38/55/93/746385593.db2.gz JQJPEKCYHDEDDV-QWHCGFSZSA-N 1 1 341.843 0.612 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)[C@@H]2C1 ZINC000978508752 746386894 /nfs/dbraw/zinc/38/68/94/746386894.db2.gz MANSUECMKMVSQR-DZVNLGKHSA-N 1 1 349.475 0.346 20 30 ECEDMO CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)C1 ZINC001083417936 746436808 /nfs/dbraw/zinc/43/68/08/746436808.db2.gz JPFFXJZRRYQFLZ-UCSXMVFBSA-N 1 1 332.404 0.476 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2ccccc2)C1 ZINC001087424224 746444300 /nfs/dbraw/zinc/44/43/00/746444300.db2.gz OURDTLZWQAHWQY-KURKYZTESA-N 1 1 342.443 0.815 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2ccccc2)C1 ZINC001087424224 746444304 /nfs/dbraw/zinc/44/43/04/746444304.db2.gz OURDTLZWQAHWQY-KURKYZTESA-N 1 1 342.443 0.815 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC001001514122 746451924 /nfs/dbraw/zinc/45/19/24/746451924.db2.gz DUHSSLPPOUPOHL-JKSUJKDBSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC001001516193 746453859 /nfs/dbraw/zinc/45/38/59/746453859.db2.gz WAFXOIUGDUVTLF-IAQYHMDHSA-N 1 1 329.404 0.415 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001027640388 746462998 /nfs/dbraw/zinc/46/29/98/746462998.db2.gz RYTYJANJJWOZHT-LBPRGKRZSA-N 1 1 342.827 0.604 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001027640388 746463002 /nfs/dbraw/zinc/46/30/02/746463002.db2.gz RYTYJANJJWOZHT-LBPRGKRZSA-N 1 1 342.827 0.604 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@H]2CCCN(C(=O)CC3CC3)C2)C1=O ZINC001087853895 746506705 /nfs/dbraw/zinc/50/67/05/746506705.db2.gz LHUOEBCWHVNWJS-IRXDYDNUSA-N 1 1 349.475 0.859 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)c[nH]1 ZINC001083418576 746522415 /nfs/dbraw/zinc/52/24/15/746522415.db2.gz PIUJRZRLPZMZIU-FRRDWIJNSA-N 1 1 340.330 0.085 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)c[nH]1 ZINC001083418576 746522420 /nfs/dbraw/zinc/52/24/20/746522420.db2.gz PIUJRZRLPZMZIU-FRRDWIJNSA-N 1 1 340.330 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC000978635810 746527024 /nfs/dbraw/zinc/52/70/24/746527024.db2.gz CWKCJZWCGBDFBJ-NXOAAHMSSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC000978635810 746527028 /nfs/dbraw/zinc/52/70/28/746527028.db2.gz CWKCJZWCGBDFBJ-NXOAAHMSSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](CC)OCC ZINC001075825037 746566406 /nfs/dbraw/zinc/56/64/06/746566406.db2.gz AATBLUINYLOIPD-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](CC)OCC ZINC001075825037 746566410 /nfs/dbraw/zinc/56/64/10/746566410.db2.gz AATBLUINYLOIPD-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001027654207 746572171 /nfs/dbraw/zinc/57/21/71/746572171.db2.gz RMAGNWKJLSLJIY-CYBMUJFWSA-N 1 1 325.368 0.740 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](CC)C(N)=O)C2)nc1 ZINC001027656666 746599664 /nfs/dbraw/zinc/59/96/64/746599664.db2.gz WRAOEWZYEGROBV-GDBMZVCRSA-N 1 1 328.416 0.863 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@H]3CCCNC3=O)C2)cn1 ZINC001027656628 746599683 /nfs/dbraw/zinc/59/96/83/746599683.db2.gz VJBLZJUTSKZKFO-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 ZINC000978706428 746606889 /nfs/dbraw/zinc/60/68/89/746606889.db2.gz PPFYLCRJXMLCRQ-LJIZCISZSA-N 1 1 335.448 0.492 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c4n(c(=O)n3C)CCCC4)[C@@H]2C1 ZINC000978709912 746610762 /nfs/dbraw/zinc/61/07/62/746610762.db2.gz NJRSVOIOLUOVNH-QKDCVEJESA-N 1 1 342.443 0.454 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000978728774 746639748 /nfs/dbraw/zinc/63/97/48/746639748.db2.gz IWVHXNMRQRFJDV-KCQAQPDRSA-N 1 1 343.431 0.853 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978734718 746649007 /nfs/dbraw/zinc/64/90/07/746649007.db2.gz XSSRGFLJLDMMFU-VIRABCJISA-N 1 1 343.431 0.709 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001027663933 746650798 /nfs/dbraw/zinc/65/07/98/746650798.db2.gz MGMDSYAPQBKHNG-HOCLYGCPSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2coc(C)n2)C1 ZINC000978755906 746661265 /nfs/dbraw/zinc/66/12/65/746661265.db2.gz QNLILCKBSXRHTQ-LZWOXQAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2coc(C)n2)C1 ZINC000978755906 746661268 /nfs/dbraw/zinc/66/12/68/746661268.db2.gz QNLILCKBSXRHTQ-LZWOXQAQSA-N 1 1 344.415 0.705 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)c1 ZINC001087925243 746670421 /nfs/dbraw/zinc/67/04/21/746670421.db2.gz CLTOFJZEGGOTLG-IPYPFGDCSA-N 1 1 327.388 0.169 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)CSCC#N ZINC001211885997 746675623 /nfs/dbraw/zinc/67/56/23/746675623.db2.gz AXLZEZUIXCGISR-HUUCEWRRSA-N 1 1 341.477 0.875 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)CSCC#N ZINC001211885997 746675625 /nfs/dbraw/zinc/67/56/25/746675625.db2.gz AXLZEZUIXCGISR-HUUCEWRRSA-N 1 1 341.477 0.875 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087938841 746689109 /nfs/dbraw/zinc/68/91/09/746689109.db2.gz MUVKSZZHSSTHLW-MCIONIFRSA-N 1 1 343.431 0.757 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)CC[C@@H]3C2)c[nH]1 ZINC001087940807 746695155 /nfs/dbraw/zinc/69/51/55/746695155.db2.gz XMBCAPIOLJDHMI-INWMFGNUSA-N 1 1 341.415 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC000978799210 746718074 /nfs/dbraw/zinc/71/80/74/746718074.db2.gz FRCWXZNHZKZVEW-CRWXNKLISA-N 1 1 339.386 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC000978799210 746718077 /nfs/dbraw/zinc/71/80/77/746718077.db2.gz FRCWXZNHZKZVEW-CRWXNKLISA-N 1 1 339.386 0.750 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCOC4CCC4)C[C@H]32)nn1 ZINC000978811299 746732296 /nfs/dbraw/zinc/73/22/96/746732296.db2.gz BMNBGRFTAARIRU-PHZGNYQRSA-N 1 1 345.447 0.941 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001001831563 746752722 /nfs/dbraw/zinc/75/27/22/746752722.db2.gz ZFQDOELDIJZQNF-QWHCGFSZSA-N 1 1 329.828 0.600 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001001843216 746763948 /nfs/dbraw/zinc/76/39/48/746763948.db2.gz BJLPTOQOTDVYOT-CABCVRRESA-N 1 1 344.477 0.450 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nccs4)[C@@H]3C2)C1=O ZINC000978886918 746832154 /nfs/dbraw/zinc/83/21/54/746832154.db2.gz WYZLIQVZCOZUPD-FQUUOJAGSA-N 1 1 346.456 0.838 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)[nH]1 ZINC001007150979 752130517 /nfs/dbraw/zinc/13/05/17/752130517.db2.gz IOKFDNDQCJBUBH-HIFRSBDPSA-N 1 1 343.431 0.997 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(CC)C1=O ZINC001029480596 746894709 /nfs/dbraw/zinc/89/47/09/746894709.db2.gz BUVVJUCPTFFNAX-JJTUDDRGSA-N 1 1 347.459 0.874 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001029480798 746898383 /nfs/dbraw/zinc/89/83/83/746898383.db2.gz LHEZBQHISLFGBY-KHMAMNHCSA-N 1 1 347.415 0.058 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccn4c(=O)[nH]nc34)[C@@H]2C1 ZINC000978940968 746920916 /nfs/dbraw/zinc/92/09/16/746920916.db2.gz ODXCCPLMJIBLRX-ZSOGYDGISA-N 1 1 325.372 0.366 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC000978943877 746926423 /nfs/dbraw/zinc/92/64/23/746926423.db2.gz JKMBAYWHCHBZOP-TUVASFSCSA-N 1 1 331.416 0.935 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4cccnc4)nn3)C[C@@H]2C1 ZINC001087987362 746931878 /nfs/dbraw/zinc/93/18/78/746931878.db2.gz GOTMALANMNXMOU-CABCVRRESA-N 1 1 336.399 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccn2)C1 ZINC000978953724 746948320 /nfs/dbraw/zinc/94/83/20/746948320.db2.gz PZTXZYPNZQPVTR-ZNMIVQPWSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccn2)C1 ZINC000978953724 746948323 /nfs/dbraw/zinc/94/83/23/746948323.db2.gz PZTXZYPNZQPVTR-ZNMIVQPWSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cncs2)C1 ZINC000978953774 746948374 /nfs/dbraw/zinc/94/83/74/746948374.db2.gz QWEQJNYZOMVZIY-MJBXVCDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cncs2)C1 ZINC000978953774 746948377 /nfs/dbraw/zinc/94/83/77/746948377.db2.gz QWEQJNYZOMVZIY-MJBXVCDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)C(=O)NC4=O)[C@@H]2C1 ZINC000978998363 747017267 /nfs/dbraw/zinc/01/72/67/747017267.db2.gz YWLISHMPXDXOOR-PHZGNYQRSA-N 1 1 337.379 0.501 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]2C1 ZINC001088008785 747043882 /nfs/dbraw/zinc/04/38/82/747043882.db2.gz FFTIGNZCOIKLMH-CABCVRRESA-N 1 1 328.416 0.804 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)n1 ZINC001059457643 747083929 /nfs/dbraw/zinc/08/39/29/747083929.db2.gz MNOCDBYRDXNKCW-TUVASFSCSA-N 1 1 340.431 0.846 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C[C@@H]2C1 ZINC001088032787 747115418 /nfs/dbraw/zinc/11/54/18/747115418.db2.gz DMBBUCZDVPVQNG-OAGGEKHMSA-N 1 1 332.448 0.581 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3C(C)=O)[C@@H]2C1 ZINC000979077419 747129150 /nfs/dbraw/zinc/12/91/50/747129150.db2.gz ABPKLVZIYYTJTO-APIJFGDWSA-N 1 1 341.839 0.280 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3CC(F)(F)F)[C@@H]2C1 ZINC000979073944 747147333 /nfs/dbraw/zinc/14/73/33/747147333.db2.gz ASWCHAJTKAINJH-FQUUOJAGSA-N 1 1 329.366 0.940 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)c1ccc(C#N)[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001002395865 747291384 /nfs/dbraw/zinc/29/13/84/747291384.db2.gz LICWRYQEPDTQLB-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)OC)[C@@H]1CC ZINC000985047783 747300838 /nfs/dbraw/zinc/30/08/38/747300838.db2.gz PXQRANOOLYFKAS-QXSJWSMHSA-N 1 1 335.448 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)OC)[C@@H]1CC ZINC000985047783 747300843 /nfs/dbraw/zinc/30/08/43/747300843.db2.gz PXQRANOOLYFKAS-QXSJWSMHSA-N 1 1 335.448 0.615 20 30 ECEDMO CCCCOCC[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 ZINC001211890925 747345484 /nfs/dbraw/zinc/34/54/84/747345484.db2.gz BMQMJQCOEKYCAQ-ZIAGYGMSSA-N 1 1 329.466 0.875 20 30 ECEDMO CCCCOCC[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 ZINC001211890925 747345489 /nfs/dbraw/zinc/34/54/89/747345489.db2.gz BMQMJQCOEKYCAQ-ZIAGYGMSSA-N 1 1 329.466 0.875 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@H](O)C(C)C ZINC001002458951 747376537 /nfs/dbraw/zinc/37/65/37/747376537.db2.gz WMRSOYLXYGTKSA-IXDOHACOSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@H](O)C(C)C ZINC001002458951 747376546 /nfs/dbraw/zinc/37/65/46/747376546.db2.gz WMRSOYLXYGTKSA-IXDOHACOSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001007199451 752182625 /nfs/dbraw/zinc/18/26/25/752182625.db2.gz NEHWTTFPSKYYLP-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001007199451 752182629 /nfs/dbraw/zinc/18/26/29/752182629.db2.gz NEHWTTFPSKYYLP-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]3C2)nn1 ZINC001088135235 747467217 /nfs/dbraw/zinc/46/72/17/747467217.db2.gz BYXDVZQNSNQTGR-MJBXVCDLSA-N 1 1 346.435 0.122 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnn(C)c2C)C1=O ZINC001027758449 747475317 /nfs/dbraw/zinc/47/53/17/747475317.db2.gz ZAIXGDXRQACCCM-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnn(C)c2C)C1=O ZINC001027758449 747475321 /nfs/dbraw/zinc/47/53/21/747475321.db2.gz ZAIXGDXRQACCCM-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979288376 747541236 /nfs/dbraw/zinc/54/12/36/747541236.db2.gz FQDVYWVAXUBJRD-BXUZGUMPSA-N 1 1 343.391 0.034 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001059502663 747551976 /nfs/dbraw/zinc/55/19/76/747551976.db2.gz WWULRYWUFAEGBA-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001059502665 747552303 /nfs/dbraw/zinc/55/23/03/747552303.db2.gz WWULRYWUFAEGBA-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO Cc1nonc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979295091 747558467 /nfs/dbraw/zinc/55/84/67/747558467.db2.gz QJGFEYHFKVHCMT-XHDPSFHLSA-N 1 1 344.375 0.597 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncnn1C)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979295163 747558520 /nfs/dbraw/zinc/55/85/20/747558520.db2.gz QVFDZQZUFHGUSY-RISCZKNCSA-N 1 1 343.391 0.034 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088166169 747564128 /nfs/dbraw/zinc/56/41/28/747564128.db2.gz NVIMEFMDSRQFFD-KGLIPLIRSA-N 1 1 344.415 0.526 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088166169 747564135 /nfs/dbraw/zinc/56/41/35/747564135.db2.gz NVIMEFMDSRQFFD-KGLIPLIRSA-N 1 1 344.415 0.526 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001059505362 747578499 /nfs/dbraw/zinc/57/84/99/747578499.db2.gz MYTPYQYBCOGTFO-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H](C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979316494 747627172 /nfs/dbraw/zinc/62/71/72/747627172.db2.gz NZIDLYBJPLZJOL-UKRRQHHQSA-N 1 1 346.435 0.202 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cnsn3)CC2)C1=O ZINC000985301244 747661926 /nfs/dbraw/zinc/66/19/26/747661926.db2.gz ZWMICUCUPVUDJG-CQSZACIVSA-N 1 1 349.460 0.861 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)O)CC[C@@H]2C1 ZINC001088174542 747676762 /nfs/dbraw/zinc/67/67/62/747676762.db2.gz AJWDQUHGBDECBE-XHSDSOJGSA-N 1 1 343.427 0.868 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@@H]2C1 ZINC001088187124 747705249 /nfs/dbraw/zinc/70/52/49/747705249.db2.gz IEXCMDDOBWYGSB-IXDOHACOSA-N 1 1 333.432 0.037 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001088195260 747716929 /nfs/dbraw/zinc/71/69/29/747716929.db2.gz VRSHZVWNWPYQMW-OLZOCXBDSA-N 1 1 339.823 0.668 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001088195260 747716931 /nfs/dbraw/zinc/71/69/31/747716931.db2.gz VRSHZVWNWPYQMW-OLZOCXBDSA-N 1 1 339.823 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(CCC)n3)C[C@@H]2C1 ZINC001088196718 747718898 /nfs/dbraw/zinc/71/88/98/747718898.db2.gz VWYACMSRWIHMES-CABCVRRESA-N 1 1 328.416 0.680 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000985333167 747736975 /nfs/dbraw/zinc/73/69/75/747736975.db2.gz ZFFUMLGAQNJYNN-ZIAGYGMSSA-N 1 1 336.436 0.316 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@@H]2C1 ZINC001088206072 747738447 /nfs/dbraw/zinc/73/84/47/747738447.db2.gz BYZRXCFZLQTOHP-IXDOHACOSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 ZINC001088225108 747770229 /nfs/dbraw/zinc/77/02/29/747770229.db2.gz BWMFEATZNOEJBY-GOSISDBHSA-N 1 1 343.427 0.896 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001088226276 747774358 /nfs/dbraw/zinc/77/43/58/747774358.db2.gz KRFKQYWYCNALTR-KRWDZBQOSA-N 1 1 330.432 0.846 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001088233608 747794610 /nfs/dbraw/zinc/79/46/10/747794610.db2.gz VJUULILYWGOJRW-LSDHHAIUSA-N 1 1 335.404 0.058 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC001088233672 747795605 /nfs/dbraw/zinc/79/56/05/747795605.db2.gz WYBYFVIFWZHSIG-IAGOWNOFSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cn(CC)cn2)C1 ZINC001002826516 747839550 /nfs/dbraw/zinc/83/95/50/747839550.db2.gz LZBCLLABLXPJPV-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cn(CC)cn2)C1 ZINC001002826516 747839557 /nfs/dbraw/zinc/83/95/57/747839557.db2.gz LZBCLLABLXPJPV-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001002830067 747845814 /nfs/dbraw/zinc/84/58/14/747845814.db2.gz QHCKWLNQBUDYBU-INIZCTEOSA-N 1 1 339.399 0.172 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001002830067 747845818 /nfs/dbraw/zinc/84/58/18/747845818.db2.gz QHCKWLNQBUDYBU-INIZCTEOSA-N 1 1 339.399 0.172 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(CC)n[nH]2)C1 ZINC001002830109 747846010 /nfs/dbraw/zinc/84/60/10/747846010.db2.gz QKSQCOSDJRXCMY-INIZCTEOSA-N 1 1 343.431 0.258 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(CC)n[nH]2)C1 ZINC001002830109 747846016 /nfs/dbraw/zinc/84/60/16/747846016.db2.gz QKSQCOSDJRXCMY-INIZCTEOSA-N 1 1 343.431 0.258 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCCO2)C1 ZINC001002830824 747848954 /nfs/dbraw/zinc/84/89/54/747848954.db2.gz WHCIXZKIYZOTDU-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCCO2)C1 ZINC001002830824 747848961 /nfs/dbraw/zinc/84/89/61/747848961.db2.gz WHCIXZKIYZOTDU-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001027799268 747883146 /nfs/dbraw/zinc/88/31/46/747883146.db2.gz ZCPKNDXVZGSRKD-HZPDHXFCSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001027799268 747883151 /nfs/dbraw/zinc/88/31/51/747883151.db2.gz ZCPKNDXVZGSRKD-HZPDHXFCSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001029662464 747994193 /nfs/dbraw/zinc/99/41/93/747994193.db2.gz MQDOQUAVGSUFRB-GDBMZVCRSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001029662464 747994200 /nfs/dbraw/zinc/99/42/00/747994200.db2.gz MQDOQUAVGSUFRB-GDBMZVCRSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001029662464 747994206 /nfs/dbraw/zinc/99/42/06/747994206.db2.gz MQDOQUAVGSUFRB-GDBMZVCRSA-N 1 1 345.447 0.899 20 30 ECEDMO CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001029690224 748076848 /nfs/dbraw/zinc/07/68/48/748076848.db2.gz FOHVXLZCBJGXST-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2ncc(C)cn2)CC1 ZINC001003054822 748122373 /nfs/dbraw/zinc/12/23/73/748122373.db2.gz AYKLVDCZRQWKCO-KRWDZBQOSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2ncc(C)cn2)CC1 ZINC001003054822 748122377 /nfs/dbraw/zinc/12/23/77/748122377.db2.gz AYKLVDCZRQWKCO-KRWDZBQOSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cn(CC)nn2)CC1 ZINC001003057260 748126617 /nfs/dbraw/zinc/12/66/17/748126617.db2.gz XVZANLZZHDPYKV-KRWDZBQOSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cn(CC)nn2)CC1 ZINC001003057260 748126618 /nfs/dbraw/zinc/12/66/18/748126618.db2.gz XVZANLZZHDPYKV-KRWDZBQOSA-N 1 1 344.463 0.476 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC001003157547 748241561 /nfs/dbraw/zinc/24/15/61/748241561.db2.gz AYBPWHWTCCEIMJ-IAGOWNOFSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC001003157547 748241565 /nfs/dbraw/zinc/24/15/65/748241565.db2.gz AYBPWHWTCCEIMJ-IAGOWNOFSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nnc(C)o2)C1 ZINC001029758478 748272031 /nfs/dbraw/zinc/27/20/31/748272031.db2.gz ZBKUSNXORININZ-HOTGVXAUSA-N 1 1 345.447 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nnc(C)o2)C1 ZINC001029758478 748272033 /nfs/dbraw/zinc/27/20/33/748272033.db2.gz ZBKUSNXORININZ-HOTGVXAUSA-N 1 1 345.447 0.756 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]2C1 ZINC000979714854 748272307 /nfs/dbraw/zinc/27/23/07/748272307.db2.gz QDHIMHNPTKODPP-RRFJBIMHSA-N 1 1 345.443 0.621 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C[C@@H]2C1 ZINC000979741466 748324174 /nfs/dbraw/zinc/32/41/74/748324174.db2.gz GJDVUHCAGVKUCF-GUTXKFCHSA-N 1 1 326.462 0.824 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027834234 748335821 /nfs/dbraw/zinc/33/58/21/748335821.db2.gz WMSHMCXUFAYVSB-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027834234 748335827 /nfs/dbraw/zinc/33/58/27/748335827.db2.gz WMSHMCXUFAYVSB-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001027835080 748361022 /nfs/dbraw/zinc/36/10/22/748361022.db2.gz QVHWCBJORPGVFH-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001027835080 748361029 /nfs/dbraw/zinc/36/10/29/748361029.db2.gz QVHWCBJORPGVFH-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001007298549 752266227 /nfs/dbraw/zinc/26/62/27/752266227.db2.gz BGEQZCZKQGUVMV-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001007298549 752266232 /nfs/dbraw/zinc/26/62/32/752266232.db2.gz BGEQZCZKQGUVMV-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccnnc2C)C1 ZINC001003398457 748506573 /nfs/dbraw/zinc/50/65/73/748506573.db2.gz JENXKURWJRQSNT-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccnnc2C)C1 ZINC001003398457 748506580 /nfs/dbraw/zinc/50/65/80/748506580.db2.gz JENXKURWJRQSNT-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001038477252 752279135 /nfs/dbraw/zinc/27/91/35/752279135.db2.gz MGIXTMFNCOIYHH-CQSZACIVSA-N 1 1 334.420 0.660 20 30 ECEDMO CN1C[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)NC1=O ZINC001003435796 748553811 /nfs/dbraw/zinc/55/38/11/748553811.db2.gz CWQRVOVSCQITAS-CQSZACIVSA-N 1 1 347.444 0.724 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cscn1 ZINC001075911340 752281529 /nfs/dbraw/zinc/28/15/29/752281529.db2.gz JBMLSYAXEQFAOD-JSGCOSHPSA-N 1 1 334.445 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cscn1 ZINC001075911340 752281537 /nfs/dbraw/zinc/28/15/37/752281537.db2.gz JBMLSYAXEQFAOD-JSGCOSHPSA-N 1 1 334.445 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001003471693 748589071 /nfs/dbraw/zinc/58/90/71/748589071.db2.gz OLVZEHSDIGKKII-QGZVFWFLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001003531414 748649301 /nfs/dbraw/zinc/64/93/01/748649301.db2.gz WZRWMUQWTSZDPB-QGZVFWFLSA-N 1 1 325.412 0.950 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)c1 ZINC001029834307 748665347 /nfs/dbraw/zinc/66/53/47/748665347.db2.gz CKMMQCAODYLRPA-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001029835319 748667969 /nfs/dbraw/zinc/66/79/69/748667969.db2.gz GAIONUSSYKBBFS-UONOGXRCSA-N 1 1 333.432 0.928 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001029835320 748668455 /nfs/dbraw/zinc/66/84/55/748668455.db2.gz GAIONUSSYKBBFS-ZIAGYGMSSA-N 1 1 333.432 0.928 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1F ZINC001003642795 748755070 /nfs/dbraw/zinc/75/50/70/748755070.db2.gz PYGLOMRLECMREE-CABCVRRESA-N 1 1 344.390 0.899 20 30 ECEDMO COCCN(CCNC(=O)Cn1cc[nH+]c1C)c1ccc(C#N)cn1 ZINC001126349033 752302994 /nfs/dbraw/zinc/30/29/94/752302994.db2.gz DYAVOHFZKBMQTO-UHFFFAOYSA-N 1 1 342.403 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC000979967917 748760530 /nfs/dbraw/zinc/76/05/30/748760530.db2.gz OWYOCTXAYDJWBG-AVGNSLFASA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC000979967917 748760534 /nfs/dbraw/zinc/76/05/34/748760534.db2.gz OWYOCTXAYDJWBG-AVGNSLFASA-N 1 1 347.444 0.260 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@H+](C)[C@@H]3CCN(C)C3=O)CC2)c1 ZINC000985637421 748775153 /nfs/dbraw/zinc/77/51/53/748775153.db2.gz JBWBIDVOMDOXQH-QGZVFWFLSA-N 1 1 340.427 0.830 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027861122 748797585 /nfs/dbraw/zinc/79/75/85/748797585.db2.gz RQKFRFXCWGMRTK-GJZGRUSLSA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027861122 748797591 /nfs/dbraw/zinc/79/75/91/748797591.db2.gz RQKFRFXCWGMRTK-GJZGRUSLSA-N 1 1 328.372 0.747 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)nn1 ZINC001003754884 748863708 /nfs/dbraw/zinc/86/37/08/748863708.db2.gz IRKPVGFXELDNFE-UHFFFAOYSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000985694217 748876991 /nfs/dbraw/zinc/87/69/91/748876991.db2.gz JPLDNHNVXVNLNI-UHFFFAOYSA-N 1 1 334.424 0.288 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3nc(C)no3)CC2)nn1 ZINC000985695027 748882518 /nfs/dbraw/zinc/88/25/18/748882518.db2.gz KJEVBIGALAADHN-UHFFFAOYSA-N 1 1 345.407 0.892 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@@H+](C)Cc3nc(C)no3)CC2)nn1 ZINC000985695027 748882525 /nfs/dbraw/zinc/88/25/25/748882525.db2.gz KJEVBIGALAADHN-UHFFFAOYSA-N 1 1 345.407 0.892 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cnn(C)n3)CC2)C1=O ZINC000985698931 748886003 /nfs/dbraw/zinc/88/60/03/748886003.db2.gz LLURKEDKHNFTFD-OAHLLOKOSA-N 1 1 346.435 0.138 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC000980052374 748895159 /nfs/dbraw/zinc/89/51/59/748895159.db2.gz MCFYQTVBXRPEIS-NOLJZWGESA-N 1 1 346.406 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC000980052374 748895165 /nfs/dbraw/zinc/89/51/65/748895165.db2.gz MCFYQTVBXRPEIS-NOLJZWGESA-N 1 1 346.406 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnnn2CC)C1=O ZINC001027870773 748928415 /nfs/dbraw/zinc/92/84/15/748928415.db2.gz CCRWVUMDJYIYBL-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnnn2CC)C1=O ZINC001027870773 748928420 /nfs/dbraw/zinc/92/84/20/748928420.db2.gz CCRWVUMDJYIYBL-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC000985743504 748993723 /nfs/dbraw/zinc/99/37/23/748993723.db2.gz VQFOYDLOTVIEDF-UHFFFAOYSA-N 1 1 347.463 0.880 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C)nn2)C1=O ZINC001027880765 748998843 /nfs/dbraw/zinc/99/88/43/748998843.db2.gz TZWQHICCUSGXLP-GDBMZVCRSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccc(C)nn2)C1=O ZINC001027880765 748998848 /nfs/dbraw/zinc/99/88/48/748998848.db2.gz TZWQHICCUSGXLP-GDBMZVCRSA-N 1 1 343.431 0.766 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001059645992 749092138 /nfs/dbraw/zinc/09/21/38/749092138.db2.gz LADSEEDELZDLQA-IRXDYDNUSA-N 1 1 349.475 0.723 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC000980164719 749097509 /nfs/dbraw/zinc/09/75/09/749097509.db2.gz UUWHGLHZRFFCPM-JYJNAYRXSA-N 1 1 334.464 0.211 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000985793457 749115258 /nfs/dbraw/zinc/11/52/58/749115258.db2.gz RRKQIBFWSOBODJ-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 ZINC000980181581 749117608 /nfs/dbraw/zinc/11/76/08/749117608.db2.gz FHJNQPQNVINYHU-CFVMTHIKSA-N 1 1 333.432 0.832 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001004002590 749130171 /nfs/dbraw/zinc/13/01/71/749130171.db2.gz FAYQMMUQFQOKQO-HNNXBMFYSA-N 1 1 342.399 0.176 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980186959 749139582 /nfs/dbraw/zinc/13/95/82/749139582.db2.gz QELNOSZMZTVPLX-BJJXKVORSA-N 1 1 344.390 0.899 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@H]3C2)s1 ZINC000980189132 749144086 /nfs/dbraw/zinc/14/40/86/749144086.db2.gz ZLNUCGVCLSESII-SDDRHHMPSA-N 1 1 332.429 0.822 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001059654614 749152634 /nfs/dbraw/zinc/15/26/34/749152634.db2.gz MMPWCJYKPAKWNE-GUTXKFCHSA-N 1 1 344.419 0.437 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001059654614 749152641 /nfs/dbraw/zinc/15/26/41/749152641.db2.gz MMPWCJYKPAKWNE-GUTXKFCHSA-N 1 1 344.419 0.437 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1ccnc(C#N)n1 ZINC001126254699 749154346 /nfs/dbraw/zinc/15/43/46/749154346.db2.gz MIPMFEIFOGEFJG-ZDUSSCGKSA-N 1 1 332.408 0.011 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000985823761 749180741 /nfs/dbraw/zinc/18/07/41/749180741.db2.gz WYEPJNAMWQISGW-UHFFFAOYSA-N 1 1 332.448 0.692 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C(=O)NC)nc3)C[C@H]2C1 ZINC000980206259 749182867 /nfs/dbraw/zinc/18/28/67/749182867.db2.gz GRCNUTPVCLTQHD-HRCADAONSA-N 1 1 340.427 0.905 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000980223516 749204734 /nfs/dbraw/zinc/20/47/34/749204734.db2.gz WJIXHOKIZKXHMW-MJBXVCDLSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cn3cccn3)on1)C2 ZINC001098177863 749209891 /nfs/dbraw/zinc/20/98/91/749209891.db2.gz PNZCNBIHDFJEBU-XPKDYRNWSA-N 1 1 325.372 0.888 20 30 ECEDMO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cn3cccn3)on1)C2 ZINC001098177863 749209894 /nfs/dbraw/zinc/20/98/94/749209894.db2.gz PNZCNBIHDFJEBU-XPKDYRNWSA-N 1 1 325.372 0.888 20 30 ECEDMO C=C1CCC(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001004113986 749224106 /nfs/dbraw/zinc/22/41/06/749224106.db2.gz ONIHDZWMVCPILT-INIZCTEOSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C1CCC(C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001004113986 749224114 /nfs/dbraw/zinc/22/41/14/749224114.db2.gz ONIHDZWMVCPILT-INIZCTEOSA-N 1 1 335.448 0.638 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nc4nccc(C)n4n3)C[C@H]2C1 ZINC000980230098 749225970 /nfs/dbraw/zinc/22/59/70/749225970.db2.gz KHAWYMOKHHKJEC-SOUVJXGZSA-N 1 1 338.415 0.896 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC000980245853 749233671 /nfs/dbraw/zinc/23/36/71/749233671.db2.gz OZXZHXIRZJFMQI-KKUMJFAQSA-N 1 1 348.447 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2conc2CC)C1 ZINC001004147355 749259233 /nfs/dbraw/zinc/25/92/33/749259233.db2.gz FZNZRZFDZLVTNG-INIZCTEOSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2conc2CC)C1 ZINC001004147355 749259239 /nfs/dbraw/zinc/25/92/39/749259239.db2.gz FZNZRZFDZLVTNG-INIZCTEOSA-N 1 1 344.415 0.523 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC000980253227 749259438 /nfs/dbraw/zinc/25/94/38/749259438.db2.gz MGULSJPSKMIWQJ-RRFJBIMHSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001004149946 749263148 /nfs/dbraw/zinc/26/31/48/749263148.db2.gz OMQDHQTUHGRFPA-ZBFHGGJFSA-N 1 1 334.464 0.306 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001004149946 749263155 /nfs/dbraw/zinc/26/31/55/749263155.db2.gz OMQDHQTUHGRFPA-ZBFHGGJFSA-N 1 1 334.464 0.306 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001004149944 749263287 /nfs/dbraw/zinc/26/32/87/749263287.db2.gz OMQDHQTUHGRFPA-GOEBONIOSA-N 1 1 334.464 0.306 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001004149944 749263292 /nfs/dbraw/zinc/26/32/92/749263292.db2.gz OMQDHQTUHGRFPA-GOEBONIOSA-N 1 1 334.464 0.306 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1 ZINC001098632167 749285604 /nfs/dbraw/zinc/28/56/04/749285604.db2.gz AELNIUUKQHHWIR-ZBFHGGJFSA-N 1 1 349.435 0.380 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@H]2CCC[N@H+]2CCN2CCNC2=O)CC1 ZINC001004393541 749460856 /nfs/dbraw/zinc/46/08/56/749460856.db2.gz DOAJFMYOHBLWBJ-GOEBONIOSA-N 1 1 347.463 0.874 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001004421590 749479079 /nfs/dbraw/zinc/47/90/79/749479079.db2.gz SFDQFXLWDPMGEX-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2oncc2C)C1 ZINC000980407414 749509053 /nfs/dbraw/zinc/50/90/53/749509053.db2.gz DERPCOAKQWBWIC-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2oncc2C)C1 ZINC000980407414 749509059 /nfs/dbraw/zinc/50/90/59/749509059.db2.gz DERPCOAKQWBWIC-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3ccnc3C)C2)C1=O ZINC000980410246 749514595 /nfs/dbraw/zinc/51/45/95/749514595.db2.gz ZRNYBIPNMUBLHK-JKSUJKDBSA-N 1 1 345.447 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cn(C)c(=O)cn2)CC1 ZINC001004492406 749564368 /nfs/dbraw/zinc/56/43/68/749564368.db2.gz ZZHACSXIYXYQEE-INIZCTEOSA-N 1 1 328.416 0.730 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC001004496258 749568013 /nfs/dbraw/zinc/56/80/13/749568013.db2.gz YGVZLAUCGZZAAU-INIZCTEOSA-N 1 1 345.447 0.308 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cncnc3C)[C@H]2C)C1=O ZINC001088477939 749578678 /nfs/dbraw/zinc/57/86/78/749578678.db2.gz ZDHZVIDTHKIUEG-KBMXLJTQSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cncnc3C)[C@H]2C)C1=O ZINC001088477939 749578685 /nfs/dbraw/zinc/57/86/85/749578685.db2.gz ZDHZVIDTHKIUEG-KBMXLJTQSA-N 1 1 343.431 0.765 20 30 ECEDMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000986189318 749648086 /nfs/dbraw/zinc/64/80/86/749648086.db2.gz WMMRVZFDWCLNTP-AAEUAGOBSA-N 1 1 345.382 0.840 20 30 ECEDMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000980511973 749677448 /nfs/dbraw/zinc/67/74/48/749677448.db2.gz IXESKJUGBPZZMI-MNOVXSKESA-N 1 1 328.380 0.050 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nncs1 ZINC001027944101 749677954 /nfs/dbraw/zinc/67/79/54/749677954.db2.gz UPPBDXNGLNPFLT-KBPBESRZSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nncs1 ZINC001027944101 749677958 /nfs/dbraw/zinc/67/79/58/749677958.db2.gz UPPBDXNGLNPFLT-KBPBESRZSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001004608688 749680122 /nfs/dbraw/zinc/68/01/22/749680122.db2.gz AVTBJNQYCLNPPC-ROUUACIJSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001004620631 749698240 /nfs/dbraw/zinc/69/82/40/749698240.db2.gz HBQXLBPYPJWRHZ-AWEZNQCLSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001004626243 749703419 /nfs/dbraw/zinc/70/34/19/749703419.db2.gz XBTTZNZTVGGYGG-OAHLLOKOSA-N 1 1 331.416 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001004627292 749705194 /nfs/dbraw/zinc/70/51/94/749705194.db2.gz YJVLWAJPUPOMDI-CVEARBPZSA-N 1 1 332.448 0.866 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)C[C@H]2C)cc1 ZINC000980669332 749937378 /nfs/dbraw/zinc/93/73/78/749937378.db2.gz VJLHIQJCYTUIOQ-UKRRQHHQSA-N 1 1 338.415 0.832 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1C ZINC001004880883 749990219 /nfs/dbraw/zinc/99/02/19/749990219.db2.gz ZLFKNIDWQGIIPM-CZUORRHYSA-N 1 1 328.416 0.958 20 30 ECEDMO Cn1ncnc1C[N@H+](C)CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001029953473 750059569 /nfs/dbraw/zinc/05/95/69/750059569.db2.gz YARORTVHVMRAKK-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1ncnc1C[N@@H+](C)CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001029953473 750059574 /nfs/dbraw/zinc/05/95/74/750059574.db2.gz YARORTVHVMRAKK-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058844224 750071176 /nfs/dbraw/zinc/07/11/76/750071176.db2.gz XCMQQSHPMHZQPH-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO Cn1nncc1C[N@@H+](C)CC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001029958252 750082033 /nfs/dbraw/zinc/08/20/33/750082033.db2.gz RTHBZAXHHXPLSQ-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058846772 750117892 /nfs/dbraw/zinc/11/78/92/750117892.db2.gz FOWSRNURSCYDST-HOTGVXAUSA-N 1 1 337.464 0.315 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)Cc2cnon2)CC1 ZINC001029971029 750153785 /nfs/dbraw/zinc/15/37/85/750153785.db2.gz DVRRDEHVKVAQLL-KRWDZBQOSA-N 1 1 345.447 0.838 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccnnc2C)C1=O ZINC001028001466 750291702 /nfs/dbraw/zinc/29/17/02/750291702.db2.gz VHJRTAYAQAVOPY-ZBFHGGJFSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccnnc2C)C1=O ZINC001028001466 750291711 /nfs/dbraw/zinc/29/17/11/750291711.db2.gz VHJRTAYAQAVOPY-ZBFHGGJFSA-N 1 1 343.431 0.766 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001059740562 750303767 /nfs/dbraw/zinc/30/37/67/750303767.db2.gz OTZKARSEBPIYGT-FRRDWIJNSA-N 1 1 337.387 0.603 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1OCC(N)=O ZINC001028009309 750345155 /nfs/dbraw/zinc/34/51/55/750345155.db2.gz JWPBKWMZRVGHAC-AWEZNQCLSA-N 1 1 329.400 0.768 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001058856812 750345820 /nfs/dbraw/zinc/34/58/20/750345820.db2.gz COGHXKCHJFEXQM-GXTWGEPZSA-N 1 1 349.822 0.950 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001058856812 750345830 /nfs/dbraw/zinc/34/58/30/750345830.db2.gz COGHXKCHJFEXQM-GXTWGEPZSA-N 1 1 349.822 0.950 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1=O ZINC000980974579 750423433 /nfs/dbraw/zinc/42/34/33/750423433.db2.gz XLNXSUSWHYZOES-LSDHHAIUSA-N 1 1 349.431 0.261 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1=O ZINC000980974579 750423436 /nfs/dbraw/zinc/42/34/36/750423436.db2.gz XLNXSUSWHYZOES-LSDHHAIUSA-N 1 1 349.431 0.261 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001087434141 750455908 /nfs/dbraw/zinc/45/59/08/750455908.db2.gz XSJTWFQSRUSUAZ-BRWVUGGUSA-N 1 1 325.412 0.730 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001087434141 750455910 /nfs/dbraw/zinc/45/59/10/750455910.db2.gz XSJTWFQSRUSUAZ-BRWVUGGUSA-N 1 1 325.412 0.730 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)c1 ZINC001028073114 750487778 /nfs/dbraw/zinc/48/77/78/750487778.db2.gz QTASYRTWKYLNGR-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)[nH]3)[C@@H]2C)nn1 ZINC000987132215 750525380 /nfs/dbraw/zinc/52/53/80/750525380.db2.gz GYSNCHGFIRCFPC-JQWIXIFHSA-N 1 1 330.396 0.283 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnn(CC)n3)[C@H]2C)nn1 ZINC000987133815 750528372 /nfs/dbraw/zinc/52/83/72/750528372.db2.gz LGOBQMWUJCYCQF-OCCSQVGLSA-N 1 1 344.423 0.468 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088550191 750640519 /nfs/dbraw/zinc/64/05/19/750640519.db2.gz QYTPZCYOZRWQTM-UHOFOFEASA-N 1 1 345.374 0.865 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088550191 750640522 /nfs/dbraw/zinc/64/05/22/750640522.db2.gz QYTPZCYOZRWQTM-UHOFOFEASA-N 1 1 345.374 0.865 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C3CC(OC)C3)CC2)C1=O ZINC000981404714 750665866 /nfs/dbraw/zinc/66/58/66/750665866.db2.gz LGROQJIQJUHPIG-UYSNPLJNSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C3CC(OC)C3)CC2)C1=O ZINC000981404714 750665868 /nfs/dbraw/zinc/66/58/68/750665868.db2.gz LGROQJIQJUHPIG-UYSNPLJNSA-N 1 1 335.448 0.733 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001005942486 750825510 /nfs/dbraw/zinc/82/55/10/750825510.db2.gz CUTMHQULFKHFMU-LLVKDONJSA-N 1 1 340.387 0.668 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)s1 ZINC001028110455 750914242 /nfs/dbraw/zinc/91/42/42/750914242.db2.gz RZMUPCCTDXXYCA-ZWNOBZJWSA-N 1 1 333.417 0.382 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)s1 ZINC001028110455 750914246 /nfs/dbraw/zinc/91/42/46/750914246.db2.gz RZMUPCCTDXXYCA-ZWNOBZJWSA-N 1 1 333.417 0.382 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC000981669774 750949675 /nfs/dbraw/zinc/94/96/75/750949675.db2.gz WMFRADYRSRXDDS-ZIAGYGMSSA-N 1 1 328.420 0.849 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+](CCn2cncn2)C3)[nH]1 ZINC000981722186 751013662 /nfs/dbraw/zinc/01/36/62/751013662.db2.gz OBHBLDBPYQLIMJ-UHFFFAOYSA-N 1 1 339.403 0.716 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)cc1 ZINC000981731069 751027827 /nfs/dbraw/zinc/02/78/27/751027827.db2.gz ZFJUXGWOHZQVSN-UHFFFAOYSA-N 1 1 340.427 0.841 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)cc1 ZINC000981731069 751027834 /nfs/dbraw/zinc/02/78/34/751027834.db2.gz ZFJUXGWOHZQVSN-UHFFFAOYSA-N 1 1 340.427 0.841 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1=O ZINC000981753951 751058115 /nfs/dbraw/zinc/05/81/15/751058115.db2.gz PVCQXGGLRRNCOJ-ZDUSSCGKSA-N 1 1 347.419 0.061 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1=O ZINC000981753951 751058120 /nfs/dbraw/zinc/05/81/20/751058120.db2.gz PVCQXGGLRRNCOJ-ZDUSSCGKSA-N 1 1 347.419 0.061 20 30 ECEDMO O=C([C@H]1CCNC1=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981746781 751066411 /nfs/dbraw/zinc/06/64/11/751066411.db2.gz NEWRSUMFKDNUSV-KRWDZBQOSA-N 1 1 325.412 0.709 20 30 ECEDMO O=C([C@H]1CCNC1=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981746781 751066418 /nfs/dbraw/zinc/06/64/18/751066418.db2.gz NEWRSUMFKDNUSV-KRWDZBQOSA-N 1 1 325.412 0.709 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)nn1 ZINC001105358010 751098777 /nfs/dbraw/zinc/09/87/77/751098777.db2.gz QLQCRHRDIAARAS-KRWDZBQOSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC000981800809 751115678 /nfs/dbraw/zinc/11/56/78/751115678.db2.gz KFVFMKVDEFZNDU-MRXNPFEDSA-N 1 1 349.475 0.982 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C2)C1 ZINC000981808326 751127957 /nfs/dbraw/zinc/12/79/57/751127957.db2.gz MNHDLECARCFNNL-UHFFFAOYSA-N 1 1 339.399 0.845 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C2)C1 ZINC000981812430 751132340 /nfs/dbraw/zinc/13/23/40/751132340.db2.gz NSZWNVACNCNYOE-MRXNPFEDSA-N 1 1 329.448 0.371 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCCNC2=O)c1 ZINC001028127869 751134313 /nfs/dbraw/zinc/13/43/13/751134313.db2.gz YGNLETIOLLXSJR-JKSUJKDBSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCCNC2=O)c1 ZINC001028127869 751134317 /nfs/dbraw/zinc/13/43/17/751134317.db2.gz YGNLETIOLLXSJR-JKSUJKDBSA-N 1 1 326.400 0.536 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000981824017 751145386 /nfs/dbraw/zinc/14/53/86/751145386.db2.gz KOIOUGAKBKMFFG-UHFFFAOYSA-N 1 1 328.416 0.975 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)N(C)C)c1 ZINC001028130158 751154615 /nfs/dbraw/zinc/15/46/15/751154615.db2.gz YWDQNIMWYCHKQP-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C)c1 ZINC001028130158 751154619 /nfs/dbraw/zinc/15/46/19/751154619.db2.gz YWDQNIMWYCHKQP-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000987788467 751202775 /nfs/dbraw/zinc/20/27/75/751202775.db2.gz DOQUWQKQEXWWJE-ZBFHGGJFSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000987788467 751202780 /nfs/dbraw/zinc/20/27/80/751202780.db2.gz DOQUWQKQEXWWJE-ZBFHGGJFSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006312975 751231725 /nfs/dbraw/zinc/23/17/25/751231725.db2.gz CXBDMRQSINSUSD-BHYGNILZSA-N 1 1 346.475 0.141 20 30 ECEDMO C#CC[N@H+]1CCCC2(CN(C(=O)COc3c(C)occc3=O)C2)C1 ZINC000981881131 751234338 /nfs/dbraw/zinc/23/43/38/751234338.db2.gz RNTGMPHAAVJWJL-UHFFFAOYSA-N 1 1 330.384 0.885 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)COc3c(C)occc3=O)C2)C1 ZINC000981881131 751234340 /nfs/dbraw/zinc/23/43/40/751234340.db2.gz RNTGMPHAAVJWJL-UHFFFAOYSA-N 1 1 330.384 0.885 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccnnc2)C1 ZINC001006316484 751237748 /nfs/dbraw/zinc/23/77/48/751237748.db2.gz SMEDHHXKQCUOJL-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccnnc2)C1 ZINC001006316484 751237750 /nfs/dbraw/zinc/23/77/50/751237750.db2.gz SMEDHHXKQCUOJL-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cccn2C)C1 ZINC001006320887 751243138 /nfs/dbraw/zinc/24/31/38/751243138.db2.gz PRKOWASRQXGYDZ-HOCLYGCPSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cccn2C)C1 ZINC001006320887 751243142 /nfs/dbraw/zinc/24/31/42/751243142.db2.gz PRKOWASRQXGYDZ-HOCLYGCPSA-N 1 1 342.443 0.699 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCC(=O)NC(C)C)C2)nn1 ZINC001105363351 752351433 /nfs/dbraw/zinc/35/14/33/752351433.db2.gz WMDRSSUVIKQJJJ-UHFFFAOYSA-N 1 1 348.451 0.632 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000988621224 752401075 /nfs/dbraw/zinc/40/10/75/752401075.db2.gz KEJKLSSOLYYVPB-RISCZKNCSA-N 1 1 327.392 0.891 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC001059910424 752419144 /nfs/dbraw/zinc/41/91/44/752419144.db2.gz PBJRMHKVPYRQMD-ZFWWWQNUSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001059910422 752419437 /nfs/dbraw/zinc/41/94/37/752419437.db2.gz PBJRMHKVPYRQMD-HIFRSBDPSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nonc2C)C1=O ZINC001028351658 752459500 /nfs/dbraw/zinc/45/95/00/752459500.db2.gz QFIRNNBTFGQMPJ-OLZOCXBDSA-N 1 1 333.392 0.359 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nonc2C)C1=O ZINC001028351658 752459502 /nfs/dbraw/zinc/45/95/02/752459502.db2.gz QFIRNNBTFGQMPJ-OLZOCXBDSA-N 1 1 333.392 0.359 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nccn2C)C1 ZINC001007518526 752474813 /nfs/dbraw/zinc/47/48/13/752474813.db2.gz CGMNZEMUGNHHGO-HOTGVXAUSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nccn2C)C1 ZINC001007518526 752474814 /nfs/dbraw/zinc/47/48/14/752474814.db2.gz CGMNZEMUGNHHGO-HOTGVXAUSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nc(CC)no2)C1 ZINC001007519241 752475982 /nfs/dbraw/zinc/47/59/82/752475982.db2.gz MNAVCTHAMLLOOU-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nc(CC)no2)C1 ZINC001007519241 752475985 /nfs/dbraw/zinc/47/59/85/752475985.db2.gz MNAVCTHAMLLOOU-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(C)ncn2)C1 ZINC001007519094 752476088 /nfs/dbraw/zinc/47/60/88/752476088.db2.gz IULXAJJGLOLKJL-WMZOPIPTSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(C)ncn2)C1 ZINC001007519094 752476089 /nfs/dbraw/zinc/47/60/89/752476089.db2.gz IULXAJJGLOLKJL-WMZOPIPTSA-N 1 1 341.459 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cccnc3)C2)C1=O ZINC001028376196 752498219 /nfs/dbraw/zinc/49/82/19/752498219.db2.gz ZJOKJRSBZFHBLR-HOCLYGCPSA-N 1 1 328.416 0.920 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001007549577 752514723 /nfs/dbraw/zinc/51/47/23/752514723.db2.gz AORSMIQXVTWXOM-STQMWFEESA-N 1 1 347.419 0.405 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001007549577 752514725 /nfs/dbraw/zinc/51/47/25/752514725.db2.gz AORSMIQXVTWXOM-STQMWFEESA-N 1 1 347.419 0.405 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000937845447 752555238 /nfs/dbraw/zinc/55/52/38/752555238.db2.gz XRMQUHMGSCRRBB-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)c1 ZINC001028412419 752583113 /nfs/dbraw/zinc/58/31/13/752583113.db2.gz MDHDTYQQMFPXGI-IAGOWNOFSA-N 1 1 329.400 0.912 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000938024836 752667472 /nfs/dbraw/zinc/66/74/72/752667472.db2.gz XOYFTCSQXZANPA-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001021236058 752690334 /nfs/dbraw/zinc/69/03/34/752690334.db2.gz SQYIVTSOZFMVNM-VBNZEHGJSA-N 1 1 341.415 0.653 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)c1 ZINC001028471391 752774179 /nfs/dbraw/zinc/77/41/79/752774179.db2.gz XMXMTALZNZLGEV-ZDUSSCGKSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cn(C)cn3)C2)C1=O ZINC001028481436 752810793 /nfs/dbraw/zinc/81/07/93/752810793.db2.gz XVBIPNNDNPCNMD-UKRRQHHQSA-N 1 1 331.420 0.259 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001028482139 752811383 /nfs/dbraw/zinc/81/13/83/752811383.db2.gz JUHBWEWWBHLZKB-DZGCQCFKSA-N 1 1 344.415 0.626 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001028491131 752833677 /nfs/dbraw/zinc/83/36/77/752833677.db2.gz SJJIIGGUTIDBQN-BBRMVZONSA-N 1 1 348.472 0.888 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028491885 752835697 /nfs/dbraw/zinc/83/56/97/752835697.db2.gz PQWHZVTVJFVCQX-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC(C)C)c2CC)[C@@H](O)C1 ZINC001083457574 752853000 /nfs/dbraw/zinc/85/30/00/752853000.db2.gz VDDJHIAVFLILGX-WBVHZDCISA-N 1 1 332.448 0.900 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](CNC(=O)c3ncccc3O)C2)C1=O ZINC001028499852 752916218 /nfs/dbraw/zinc/91/62/18/752916218.db2.gz LQAPTZQXSFRKMG-ZIAGYGMSSA-N 1 1 344.415 0.626 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ncccc3O)C2)C1=O ZINC001028499852 752916221 /nfs/dbraw/zinc/91/62/21/752916221.db2.gz LQAPTZQXSFRKMG-ZIAGYGMSSA-N 1 1 344.415 0.626 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccnn3CC)C2)C1=O ZINC001028502622 752935183 /nfs/dbraw/zinc/93/51/83/752935183.db2.gz CGKQIWBCNTZAKT-HOCLYGCPSA-N 1 1 345.447 0.742 20 30 ECEDMO O=C(C#CC1CC1)NCC[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001059933940 752938928 /nfs/dbraw/zinc/93/89/28/752938928.db2.gz BLFXQQXPTUXKMP-QGZVFWFLSA-N 1 1 347.459 0.477 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCCN(CCOC)c1ccc(C#N)nn1 ZINC001126379736 753094360 /nfs/dbraw/zinc/09/43/60/753094360.db2.gz CVAQQQSESOSGJX-UHFFFAOYSA-N 1 1 348.451 0.649 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001007950759 753117798 /nfs/dbraw/zinc/11/77/98/753117798.db2.gz ICGHLVXMUCJRHM-AWEZNQCLSA-N 1 1 327.450 0.016 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000989066198 753203079 /nfs/dbraw/zinc/20/30/79/753203079.db2.gz BSLPUWNPOSEKNI-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000989066198 753203084 /nfs/dbraw/zinc/20/30/84/753203084.db2.gz BSLPUWNPOSEKNI-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000989066234 753204507 /nfs/dbraw/zinc/20/45/07/753204507.db2.gz RBLLRLXMABMWQF-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000982665957 753258583 /nfs/dbraw/zinc/25/85/83/753258583.db2.gz TXCSXPAKQIUQBE-CHWSQXEVSA-N 1 1 329.404 0.416 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@]2(C)C1 ZINC000982684195 753310535 /nfs/dbraw/zinc/31/05/35/753310535.db2.gz PZINLVJOBSUOHU-KDURUIRLSA-N 1 1 342.443 0.664 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001028578378 753312424 /nfs/dbraw/zinc/31/24/24/753312424.db2.gz NLUZOINQUIYPMO-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001051495089 762208042 /nfs/dbraw/zinc/20/80/42/762208042.db2.gz QPFHYVFRVWGRMU-AAEUAGOBSA-N 1 1 332.408 0.169 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(CC)no2)[C@@H]1C ZINC001088631848 753435753 /nfs/dbraw/zinc/43/57/53/753435753.db2.gz JVJRHYVXDDYBMO-ILXRZTDVSA-N 1 1 345.447 0.809 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(CC)no2)[C@@H]1C ZINC001088631848 753435758 /nfs/dbraw/zinc/43/57/58/753435758.db2.gz JVJRHYVXDDYBMO-ILXRZTDVSA-N 1 1 345.447 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccn(C)n2)[C@@H]1C ZINC001088631150 753443260 /nfs/dbraw/zinc/44/32/60/753443260.db2.gz VBOUFVSXSQQNGX-PVAVHDDUSA-N 1 1 329.448 0.597 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccn(C)n2)[C@@H]1C ZINC001088631150 753443263 /nfs/dbraw/zinc/44/32/63/753443263.db2.gz VBOUFVSXSQQNGX-PVAVHDDUSA-N 1 1 329.448 0.597 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000982739333 753449841 /nfs/dbraw/zinc/44/98/41/753449841.db2.gz KWDSZBZWNGZWQU-JKSUJKDBSA-N 1 1 333.432 0.085 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000982739333 753449846 /nfs/dbraw/zinc/44/98/46/753449846.db2.gz KWDSZBZWNGZWQU-JKSUJKDBSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2ncc(C#N)cc2Cl)C1 ZINC001105852828 762221092 /nfs/dbraw/zinc/22/10/92/762221092.db2.gz AKQFKKLEQYADRC-NEPJUHHUSA-N 1 1 337.811 0.447 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2snc(Cl)c2C#N)C1 ZINC001105853239 762224577 /nfs/dbraw/zinc/22/45/77/762224577.db2.gz JMPDXJKTQHNWTR-DTWKUNHWSA-N 1 1 343.840 0.509 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001028588505 753567160 /nfs/dbraw/zinc/56/71/60/753567160.db2.gz CCMRBHYJAKTGPF-GFCCVEGCSA-N 1 1 327.388 0.749 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001059042851 753572944 /nfs/dbraw/zinc/57/29/44/753572944.db2.gz HVAWFPWGWSHHNA-CABCVRRESA-N 1 1 342.447 0.905 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc[nH]3)[C@@H](O)C2)cc1 ZINC001083336534 753600475 /nfs/dbraw/zinc/60/04/75/753600475.db2.gz BAQDJDXBFHPAQT-SJORKVTESA-N 1 1 340.383 0.892 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccc[nH]3)[C@@H](O)C2)cc1 ZINC001083336534 753600482 /nfs/dbraw/zinc/60/04/82/753600482.db2.gz BAQDJDXBFHPAQT-SJORKVTESA-N 1 1 340.383 0.892 20 30 ECEDMO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CNC(=O)N1 ZINC001008369403 753665559 /nfs/dbraw/zinc/66/55/59/753665559.db2.gz CJTTZOVPBMTNCS-JKSUJKDBSA-N 1 1 326.400 0.300 20 30 ECEDMO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CNC(=O)N1 ZINC001008369403 753665564 /nfs/dbraw/zinc/66/55/64/753665564.db2.gz CJTTZOVPBMTNCS-JKSUJKDBSA-N 1 1 326.400 0.300 20 30 ECEDMO Cn1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)cn1 ZINC001083364210 753687898 /nfs/dbraw/zinc/68/78/98/753687898.db2.gz BXTURUGJMYCULV-SJORKVTESA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)cn1 ZINC001083364210 753687900 /nfs/dbraw/zinc/68/79/00/753687900.db2.gz BXTURUGJMYCULV-SJORKVTESA-N 1 1 339.399 0.196 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001083368211 753703462 /nfs/dbraw/zinc/70/34/62/753703462.db2.gz GPGYEXNOJSYOOZ-KURKYZTESA-N 1 1 327.428 0.294 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CNC(=O)[C@H](C)CC)C2)nn1 ZINC001105374119 753749225 /nfs/dbraw/zinc/74/92/25/753749225.db2.gz JBSJKWVVHUVTLL-CYBMUJFWSA-N 1 1 348.451 0.489 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)nn1 ZINC001105374297 753751309 /nfs/dbraw/zinc/75/13/09/753751309.db2.gz TXAFMSNYZVEKML-GFCCVEGCSA-N 1 1 341.419 0.465 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001028593761 753763753 /nfs/dbraw/zinc/76/37/53/753763753.db2.gz SZEBNFJPMIMARK-GDBMZVCRSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3nc4ncccn4n3)C[C@@]2(C)C1 ZINC000982805116 753790057 /nfs/dbraw/zinc/79/00/57/753790057.db2.gz HTAAUWHVPSWYHY-HDICACEKSA-N 1 1 338.415 0.470 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@]2(C)C1 ZINC000982817605 753845081 /nfs/dbraw/zinc/84/50/81/753845081.db2.gz RRWCFZQPVNNTKQ-CWRNSKLLSA-N 1 1 341.477 0.425 20 30 ECEDMO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105582981 753863068 /nfs/dbraw/zinc/86/30/68/753863068.db2.gz CDMCQJQXPISVGU-GJZGRUSLSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001028600851 753875565 /nfs/dbraw/zinc/87/55/65/753875565.db2.gz FMLDJFHJCYDFAP-AEFFLSMTSA-N 1 1 343.475 0.764 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001028600851 753875569 /nfs/dbraw/zinc/87/55/69/753875569.db2.gz FMLDJFHJCYDFAP-AEFFLSMTSA-N 1 1 343.475 0.764 20 30 ECEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CCS(=O)(=O)NC)C[C@]2(C)C1 ZINC001101237226 753894491 /nfs/dbraw/zinc/89/44/91/753894491.db2.gz IBWFQIDBRGOUIL-ZBFHGGJFSA-N 1 1 343.493 0.672 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001028611640 753919599 /nfs/dbraw/zinc/91/95/99/753919599.db2.gz GGRKCFGFDCEVIA-TZMCWYRMSA-N 1 1 345.403 0.021 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001075942964 753964145 /nfs/dbraw/zinc/96/41/45/753964145.db2.gz WXNATAXWPKFFIQ-XJKSGUPXSA-N 1 1 328.416 0.782 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nonc3C)C[C@@H]2C)nn1 ZINC000989537447 754082465 /nfs/dbraw/zinc/08/24/65/754082465.db2.gz UROQOSGALUTPIE-JQWIXIFHSA-N 1 1 331.380 0.548 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3ncnn3C)C[C@@H]2C)nn1 ZINC000989544815 754093817 /nfs/dbraw/zinc/09/38/17/754093817.db2.gz XUJSCRQARKCWKK-QWHCGFSZSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CCc3ccnn3C)C2)nn1 ZINC001008795072 754126428 /nfs/dbraw/zinc/12/64/28/754126428.db2.gz OMLZHKBPOSJICE-AWEZNQCLSA-N 1 1 343.435 0.635 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001008825955 754164895 /nfs/dbraw/zinc/16/48/95/754164895.db2.gz RPDSRJUULULCOQ-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001008825955 754164898 /nfs/dbraw/zinc/16/48/98/754164898.db2.gz RPDSRJUULULCOQ-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccsn2)C1 ZINC000982914919 754169714 /nfs/dbraw/zinc/16/97/14/754169714.db2.gz KQDKFOMYWVCJOR-HIFRSBDPSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccsn2)C1 ZINC000982914919 754169719 /nfs/dbraw/zinc/16/97/19/754169719.db2.gz KQDKFOMYWVCJOR-HIFRSBDPSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2[nH]cnc2C)C1 ZINC000982923557 754206414 /nfs/dbraw/zinc/20/64/14/754206414.db2.gz QBWGVXYMSZWCGF-GJZGRUSLSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2[nH]cnc2C)C1 ZINC000982923557 754206420 /nfs/dbraw/zinc/20/64/20/754206420.db2.gz QBWGVXYMSZWCGF-GJZGRUSLSA-N 1 1 343.431 0.394 20 30 ECEDMO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001040242243 754283802 /nfs/dbraw/zinc/28/38/02/754283802.db2.gz DLIFTDZNNZQDMI-SFHVURJKSA-N 1 1 335.448 0.736 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000982959719 754286246 /nfs/dbraw/zinc/28/62/46/754286246.db2.gz UCZHNQNHPHJQBA-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1 ZINC001008916668 754305473 /nfs/dbraw/zinc/30/54/73/754305473.db2.gz CONSZJMUDFJQOX-ZQDZILKHSA-N 1 1 341.415 0.272 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N1CCS[C@@H](C(C)C)C1 ZINC000261835484 754428458 /nfs/dbraw/zinc/42/84/58/754428458.db2.gz VYYFGHQUNWTVML-HUUCEWRRSA-N 1 1 327.542 0.881 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]CCn3cncn3)C[C@@H]2C)CC1 ZINC000989829131 754498643 /nfs/dbraw/zinc/49/86/43/754498643.db2.gz OJKDCYYTDYYSJT-DOTOQJQBSA-N 1 1 344.463 0.202 20 30 ECEDMO COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111600143 762306430 /nfs/dbraw/zinc/30/64/30/762306430.db2.gz OTEYZKOKSMQAHM-GUTXKFCHSA-N 1 1 327.450 0.221 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000983085321 754586551 /nfs/dbraw/zinc/58/65/51/754586551.db2.gz MRQMXGKORLAFJF-IXDOHACOSA-N 1 1 346.475 0.143 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cncn3C)C2)C1=O ZINC001009207295 754654450 /nfs/dbraw/zinc/65/44/50/754654450.db2.gz ILQHNYDEISSGKG-HOCLYGCPSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3cncn3C)C2)C1=O ZINC001009207295 754654453 /nfs/dbraw/zinc/65/44/53/754654453.db2.gz ILQHNYDEISSGKG-HOCLYGCPSA-N 1 1 345.447 0.330 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC001009269800 754726640 /nfs/dbraw/zinc/72/66/40/754726640.db2.gz PSHZSJDJNBPJHA-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC001009269800 754726641 /nfs/dbraw/zinc/72/66/41/754726641.db2.gz PSHZSJDJNBPJHA-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001105874045 762332192 /nfs/dbraw/zinc/33/21/92/762332192.db2.gz ZDMKKQMHFFBJSM-CABCVRRESA-N 1 1 331.420 0.717 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001028711430 754793079 /nfs/dbraw/zinc/79/30/79/754793079.db2.gz ARHXHHDMQZFACT-UONOGXRCSA-N 1 1 331.407 0.967 20 30 ECEDMO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC001051556276 762333252 /nfs/dbraw/zinc/33/32/52/762333252.db2.gz TVHPPMARZSWOMN-ZDUSSCGKSA-N 1 1 329.360 0.814 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1CCC(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001204711373 754880847 /nfs/dbraw/zinc/88/08/47/754880847.db2.gz PTBYHVKMFMPJES-ZDUSSCGKSA-N 1 1 336.440 0.520 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)c[nH]1 ZINC000990266727 754910289 /nfs/dbraw/zinc/91/02/89/754910289.db2.gz OKFAZYTZHSGJFB-CRAIPNDOSA-N 1 1 341.415 0.845 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)s1 ZINC001051563679 762348300 /nfs/dbraw/zinc/34/83/00/762348300.db2.gz TVNIUSQAGMLDLV-CYBMUJFWSA-N 1 1 346.416 0.677 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001009496338 754950506 /nfs/dbraw/zinc/95/05/06/754950506.db2.gz PQMSNWHGNAGEMZ-OAHLLOKOSA-N 1 1 343.493 0.264 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC000983251447 754992664 /nfs/dbraw/zinc/99/26/64/754992664.db2.gz NNLPPBPKWQUCCQ-OCCSQVGLSA-N 1 1 347.394 0.225 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC000983251447 754992667 /nfs/dbraw/zinc/99/26/67/754992667.db2.gz NNLPPBPKWQUCCQ-OCCSQVGLSA-N 1 1 347.394 0.225 20 30 ECEDMO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CNC(=O)N1 ZINC001028774622 755065935 /nfs/dbraw/zinc/06/59/35/755065935.db2.gz YEODDOSSWVOLAD-HZPDHXFCSA-N 1 1 326.400 0.158 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC001028792326 755137511 /nfs/dbraw/zinc/13/75/11/755137511.db2.gz HNGUKEHSGSMSGG-UKRRQHHQSA-N 1 1 328.416 0.591 20 30 ECEDMO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]nnc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105647419 755173604 /nfs/dbraw/zinc/17/36/04/755173604.db2.gz QYBPJCNZUOYVSB-AHEZYBDSSA-N 1 1 345.447 0.716 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1 ZINC001028804687 755178047 /nfs/dbraw/zinc/17/80/47/755178047.db2.gz DBJXKXFFAFAECN-YUELXQCFSA-N 1 1 344.390 0.757 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001060038011 755218437 /nfs/dbraw/zinc/21/84/37/755218437.db2.gz RHBRXXZWVZYSPP-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](CCc3cnn(C)c3)C2)nn1 ZINC001028853255 755313023 /nfs/dbraw/zinc/31/30/23/755313023.db2.gz RXKYEVBLHUTEQE-AWEZNQCLSA-N 1 1 343.435 0.492 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)nn1 ZINC001028857456 755322583 /nfs/dbraw/zinc/32/25/83/755322583.db2.gz IJALVDJFCSFZCE-CABCVRRESA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001028858421 755324099 /nfs/dbraw/zinc/32/40/99/755324099.db2.gz QRVIYQSDRBKBHJ-OCCSQVGLSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)[C@@H]2C1 ZINC001075963476 755487161 /nfs/dbraw/zinc/48/71/61/755487161.db2.gz RBAONQWQGJQRJB-DZGCQCFKSA-N 1 1 339.399 0.908 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC001075962257 755489158 /nfs/dbraw/zinc/48/91/58/755489158.db2.gz HTSTVJRDRVAGFP-WCQYABFASA-N 1 1 337.401 0.097 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC001075962257 755489161 /nfs/dbraw/zinc/48/91/61/755489161.db2.gz HTSTVJRDRVAGFP-WCQYABFASA-N 1 1 337.401 0.097 20 30 ECEDMO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001040270106 755536945 /nfs/dbraw/zinc/53/69/45/755536945.db2.gz BCJUOJJVSGSAFI-IBGZPJMESA-N 1 1 346.475 0.098 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001010005871 755551121 /nfs/dbraw/zinc/55/11/21/755551121.db2.gz RVAMLADJLPSDGP-ZFWWWQNUSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001010005871 755551123 /nfs/dbraw/zinc/55/11/23/755551123.db2.gz RVAMLADJLPSDGP-ZFWWWQNUSA-N 1 1 329.404 0.376 20 30 ECEDMO O=C(CN1CCCC1=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010079423 755632722 /nfs/dbraw/zinc/63/27/22/755632722.db2.gz NEHHMEUGSMHVIZ-QGZVFWFLSA-N 1 1 343.402 0.990 20 30 ECEDMO O=C(CN1CCCC1=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010079423 755632723 /nfs/dbraw/zinc/63/27/23/755632723.db2.gz NEHHMEUGSMHVIZ-QGZVFWFLSA-N 1 1 343.402 0.990 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3csnn3)[C@H]2C)C1=O ZINC001088777194 755634908 /nfs/dbraw/zinc/63/49/08/755634908.db2.gz KZZFQLWZCHCJER-NTZNESFSSA-N 1 1 335.433 0.518 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3csnn3)[C@H]2C)C1=O ZINC001088777194 755634909 /nfs/dbraw/zinc/63/49/09/755634909.db2.gz KZZFQLWZCHCJER-NTZNESFSSA-N 1 1 335.433 0.518 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)c1 ZINC000990699104 755646239 /nfs/dbraw/zinc/64/62/39/755646239.db2.gz MABUKUWPJJUUEB-HIFRSBDPSA-N 1 1 341.415 0.701 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC001088782791 755651865 /nfs/dbraw/zinc/65/18/65/755651865.db2.gz LQRPCZUANYFQLP-KGLIPLIRSA-N 1 1 327.388 0.098 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cncnc3)C2)nn1 ZINC001098658648 755763871 /nfs/dbraw/zinc/76/38/71/755763871.db2.gz IGJMKLSYWQKFIY-HNNXBMFYSA-N 1 1 327.392 0.821 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 ZINC001105672994 755790560 /nfs/dbraw/zinc/79/05/60/755790560.db2.gz FWMQVPLOCYLDSW-OLMNPRSZSA-N 1 1 346.475 0.284 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2ccccc2)[C@@H](O)C1 ZINC001083513821 755826289 /nfs/dbraw/zinc/82/62/89/755826289.db2.gz ACPJODAPUJPIHN-SQNIBIBYSA-N 1 1 327.428 0.840 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001010321779 755994230 /nfs/dbraw/zinc/99/42/30/755994230.db2.gz COFRIYDEYAICNS-UKRRQHHQSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001010321779 755994231 /nfs/dbraw/zinc/99/42/31/755994231.db2.gz COFRIYDEYAICNS-UKRRQHHQSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CCc3nc[nH]n3)CC2)C1=O ZINC000990826419 756001331 /nfs/dbraw/zinc/00/13/31/756001331.db2.gz BMTBDRDJQDEERV-AWEZNQCLSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)[C@@H](O)C1 ZINC001083539731 756031049 /nfs/dbraw/zinc/03/10/49/756031049.db2.gz OWDYSCZRFYQJAA-TXCZRRACSA-N 1 1 348.447 0.718 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 ZINC001076085027 756064915 /nfs/dbraw/zinc/06/49/15/756064915.db2.gz XLJAGASLMQHNAN-SWLSCSKDSA-N 1 1 325.376 0.390 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]nc4C)[C@@H]3C2)C1=O ZINC001076112376 756089051 /nfs/dbraw/zinc/08/90/51/756089051.db2.gz CNCAKIKLUDLERY-NUEKZKHPSA-N 1 1 343.431 0.651 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cc(OC)ccc2OC)[C@@H](O)C1 ZINC001083542541 756101175 /nfs/dbraw/zinc/10/11/75/756101175.db2.gz BVFPMGYLUNDBCI-CVEARBPZSA-N 1 1 332.400 0.431 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cc(OC)ccc2OC)[C@@H](O)C1 ZINC001083542541 756101177 /nfs/dbraw/zinc/10/11/77/756101177.db2.gz BVFPMGYLUNDBCI-CVEARBPZSA-N 1 1 332.400 0.431 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC001010446930 756142275 /nfs/dbraw/zinc/14/22/75/756142275.db2.gz FGQFAWOXHDDONU-HOTGVXAUSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC001010446930 756142279 /nfs/dbraw/zinc/14/22/79/756142279.db2.gz FGQFAWOXHDDONU-HOTGVXAUSA-N 1 1 333.432 0.324 20 30 ECEDMO CC1CCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001010457143 756151178 /nfs/dbraw/zinc/15/11/78/756151178.db2.gz JWWAPJRJEARVIF-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1CCN(C(=O)C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001010457143 756151179 /nfs/dbraw/zinc/15/11/79/756151179.db2.gz JWWAPJRJEARVIF-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C2)c1 ZINC001010482368 756172440 /nfs/dbraw/zinc/17/24/40/756172440.db2.gz XWSDABMJTXXKJE-BBRMVZONSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C4CCC4)C3=O)C2)c1 ZINC001010482368 756172442 /nfs/dbraw/zinc/17/24/42/756172442.db2.gz XWSDABMJTXXKJE-BBRMVZONSA-N 1 1 341.415 0.844 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001076183373 756181855 /nfs/dbraw/zinc/18/18/55/756181855.db2.gz WUZDZHWLSJJCSY-STQMWFEESA-N 1 1 331.420 0.995 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC(=O)C1 ZINC001010496252 756183653 /nfs/dbraw/zinc/18/36/53/756183653.db2.gz LRQHVVHEUBRXCI-NVXWUHKLSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC(=O)C1 ZINC001010496252 756183656 /nfs/dbraw/zinc/18/36/56/756183656.db2.gz LRQHVVHEUBRXCI-NVXWUHKLSA-N 1 1 343.402 0.894 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198521 756195193 /nfs/dbraw/zinc/19/51/93/756195193.db2.gz AFCYTBDIPHGUAB-GXTWGEPZSA-N 1 1 328.372 0.085 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198521 756195196 /nfs/dbraw/zinc/19/51/96/756195196.db2.gz AFCYTBDIPHGUAB-GXTWGEPZSA-N 1 1 328.372 0.085 20 30 ECEDMO C#CCCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001076211593 756204425 /nfs/dbraw/zinc/20/44/25/756204425.db2.gz NMAMMZIHTOSOAT-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CCCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001076211593 756204428 /nfs/dbraw/zinc/20/44/28/756204428.db2.gz NMAMMZIHTOSOAT-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4conc4C)[C@@H]3C2)C1=O ZINC001076202340 756206695 /nfs/dbraw/zinc/20/66/95/756206695.db2.gz DYYNXYADPADBLD-NUEKZKHPSA-N 1 1 344.415 0.916 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001076216979 756219487 /nfs/dbraw/zinc/21/94/87/756219487.db2.gz XOUQXHRLQUXHKN-STQMWFEESA-N 1 1 331.420 0.995 20 30 ECEDMO CC(C)(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)[nH]1 ZINC001051609188 762458628 /nfs/dbraw/zinc/45/86/28/762458628.db2.gz QHCLVYNDUOOZRW-AWEZNQCLSA-N 1 1 345.447 0.833 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001076308515 756350066 /nfs/dbraw/zinc/35/00/66/756350066.db2.gz HNSZDUYJAUSVMZ-SUMWQHHRSA-N 1 1 325.453 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCOCC1 ZINC001076321536 756369394 /nfs/dbraw/zinc/36/93/94/756369394.db2.gz JLWDBAJSHZXAKZ-BBWFWOEESA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCOCC1 ZINC001076321536 756369397 /nfs/dbraw/zinc/36/93/97/756369397.db2.gz JLWDBAJSHZXAKZ-BBWFWOEESA-N 1 1 349.475 0.912 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)c[nH]1 ZINC001010688559 756400071 /nfs/dbraw/zinc/40/00/71/756400071.db2.gz IVEZWNCNCMAVSY-YPMHNXCESA-N 1 1 336.417 0.125 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)c[nH]1 ZINC001010688559 756400074 /nfs/dbraw/zinc/40/00/74/756400074.db2.gz IVEZWNCNCMAVSY-YPMHNXCESA-N 1 1 336.417 0.125 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001076393842 756465422 /nfs/dbraw/zinc/46/54/22/756465422.db2.gz ZSBNDDYKKXDZTB-GXTWGEPZSA-N 1 1 332.404 0.848 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001076395487 756466099 /nfs/dbraw/zinc/46/60/99/756466099.db2.gz YIIMHPCMQASGQG-GXTWGEPZSA-N 1 1 330.388 0.295 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4ncc[nH]4)[C@@H]3C2)C1=O ZINC001076402380 756476309 /nfs/dbraw/zinc/47/63/09/756476309.db2.gz RMYWFKOISFEDLH-RRFJBIMHSA-N 1 1 343.431 0.272 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076412265 756483085 /nfs/dbraw/zinc/48/30/85/756483085.db2.gz XMNPUTNKBIRMRG-OFQRWUPVSA-N 1 1 331.420 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC3OCCCO3)C2)C1=O ZINC001010761980 756492369 /nfs/dbraw/zinc/49/23/69/756492369.db2.gz WVOWNGJZHCVGTF-UONOGXRCSA-N 1 1 337.420 0.117 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC3OCCCO3)C2)C1=O ZINC001010761980 756492374 /nfs/dbraw/zinc/49/23/74/756492374.db2.gz WVOWNGJZHCVGTF-UONOGXRCSA-N 1 1 337.420 0.117 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1n[nH]cc1C ZINC001076424166 756494970 /nfs/dbraw/zinc/49/49/70/756494970.db2.gz JJWJFXQKCAISGT-KBPBESRZSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1n[nH]cc1C ZINC001076424166 756494975 /nfs/dbraw/zinc/49/49/75/756494975.db2.gz JJWJFXQKCAISGT-KBPBESRZSA-N 1 1 331.420 0.440 20 30 ECEDMO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001076424518 756495891 /nfs/dbraw/zinc/49/58/91/756495891.db2.gz YHBYRLCANQMLST-QGILYTQXSA-N 1 1 345.443 0.274 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001010812015 756554879 /nfs/dbraw/zinc/55/48/79/756554879.db2.gz AVODKNXDSYYBTM-ZIAGYGMSSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001010812015 756554883 /nfs/dbraw/zinc/55/48/83/756554883.db2.gz AVODKNXDSYYBTM-ZIAGYGMSSA-N 1 1 329.404 0.376 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1 ZINC001010844897 756595264 /nfs/dbraw/zinc/59/52/64/756595264.db2.gz WBMPCIBQKGGIHW-UKRRQHHQSA-N 1 1 344.371 0.388 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001076512340 756608471 /nfs/dbraw/zinc/60/84/71/756608471.db2.gz UZKULOUKTGHEJM-JYJNAYRXSA-N 1 1 333.432 0.133 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001076512340 756608472 /nfs/dbraw/zinc/60/84/72/756608472.db2.gz UZKULOUKTGHEJM-JYJNAYRXSA-N 1 1 333.432 0.133 20 30 ECEDMO O=C(Cn1cncn1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076536956 756620924 /nfs/dbraw/zinc/62/09/24/756620924.db2.gz MUGKEFGRRQWQIB-ZWKOTPCHSA-N 1 1 335.411 0.863 20 30 ECEDMO O=C(Cn1cncn1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076536956 756620926 /nfs/dbraw/zinc/62/09/26/756620926.db2.gz MUGKEFGRRQWQIB-ZWKOTPCHSA-N 1 1 335.411 0.863 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@H+]1C ZINC001010920565 756670373 /nfs/dbraw/zinc/67/03/73/756670373.db2.gz DNLQYHGLYKZOMK-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076593868 756703464 /nfs/dbraw/zinc/70/34/64/756703464.db2.gz AQHXIHXZRJGVML-RRFJBIMHSA-N 1 1 327.856 0.992 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076593868 756703465 /nfs/dbraw/zinc/70/34/65/756703465.db2.gz AQHXIHXZRJGVML-RRFJBIMHSA-N 1 1 327.856 0.992 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001010963453 756709163 /nfs/dbraw/zinc/70/91/63/756709163.db2.gz VNFSMROXIGJQGZ-AWEZNQCLSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001010963453 756709166 /nfs/dbraw/zinc/70/91/66/756709166.db2.gz VNFSMROXIGJQGZ-AWEZNQCLSA-N 1 1 339.386 0.800 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CSC)C[C@]2(C)C1 ZINC001101114820 756726459 /nfs/dbraw/zinc/72/64/59/756726459.db2.gz FEIOWGQTBVTJEK-ZENOOKHLSA-N 1 1 325.478 0.820 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011020164 756773856 /nfs/dbraw/zinc/77/38/56/756773856.db2.gz TVTZZFQTMBGHDQ-CYBMUJFWSA-N 1 1 329.404 0.655 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001011028379 756790961 /nfs/dbraw/zinc/79/09/61/756790961.db2.gz XTHYVIGMAUEFQP-CYBMUJFWSA-N 1 1 329.404 0.513 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC(=O)N(CCOC)C3)CCC[C@@H]12 ZINC000990934722 756907691 /nfs/dbraw/zinc/90/76/91/756907691.db2.gz KBYLQKPFTGCSIV-HDMKZQKVSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O)n1cccn1 ZINC001076762183 757007345 /nfs/dbraw/zinc/00/73/45/757007345.db2.gz QMEASJCHAXALDF-IAOVAPTHSA-N 1 1 339.399 0.677 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O)n1cccn1 ZINC001076762183 757007353 /nfs/dbraw/zinc/00/73/53/757007353.db2.gz QMEASJCHAXALDF-IAOVAPTHSA-N 1 1 339.399 0.677 20 30 ECEDMO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001076770541 757035233 /nfs/dbraw/zinc/03/52/33/757035233.db2.gz WGGCGPNYQKPMPP-LSDHHAIUSA-N 1 1 341.452 0.311 20 30 ECEDMO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001076770541 757035241 /nfs/dbraw/zinc/03/52/41/757035241.db2.gz WGGCGPNYQKPMPP-LSDHHAIUSA-N 1 1 341.452 0.311 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2C1 ZINC001048802765 757042919 /nfs/dbraw/zinc/04/29/19/757042919.db2.gz KZSUBXABQUIYOF-PHIMTYICSA-N 1 1 340.225 0.728 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2C1 ZINC001048802765 757042931 /nfs/dbraw/zinc/04/29/31/757042931.db2.gz KZSUBXABQUIYOF-PHIMTYICSA-N 1 1 340.225 0.728 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](Cc3cn(CC4CC4)nn3)C[C@@H]2C1 ZINC001048809831 757065490 /nfs/dbraw/zinc/06/54/90/757065490.db2.gz ACTLYLYZVQIOQO-CALCHBBNSA-N 1 1 339.443 0.992 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](Cc3cn(CC4CC4)nn3)C[C@@H]2C1 ZINC001048809831 757065493 /nfs/dbraw/zinc/06/54/93/757065493.db2.gz ACTLYLYZVQIOQO-CALCHBBNSA-N 1 1 339.443 0.992 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4n[nH]cc4C)C[C@H]3C2)C1=O ZINC001048809577 757066091 /nfs/dbraw/zinc/06/60/91/757066091.db2.gz RZCJOZZBMPBZRI-ZNMIVQPWSA-N 1 1 343.431 0.509 20 30 ECEDMO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](CCC[C@@H]3CCOC3)C2)nn1 ZINC001107149503 757085766 /nfs/dbraw/zinc/08/57/66/757085766.db2.gz HJYIFPAUOAJMIR-UONOGXRCSA-N 1 1 346.435 0.727 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nc3C)C[C@H]2C1 ZINC001048821390 757105334 /nfs/dbraw/zinc/10/53/34/757105334.db2.gz YRMQHVMEQLOCBQ-OWCLPIDISA-N 1 1 328.416 0.790 20 30 ECEDMO C=CCOCCCC(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107153157 757115746 /nfs/dbraw/zinc/11/57/46/757115746.db2.gz VKLVWIGLMDOBSI-ZDUSSCGKSA-N 1 1 337.424 0.115 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@]45C[C@H]4COC5)C[C@H]3C2)C1=O ZINC001048830144 757130702 /nfs/dbraw/zinc/13/07/02/757130702.db2.gz KENLZNPKXKMLKS-WPECMILSSA-N 1 1 345.443 0.200 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3ccc(=O)n(C)c3=O)CCC[C@H]12 ZINC000990975069 757143412 /nfs/dbraw/zinc/14/34/12/757143412.db2.gz SZDLVZJXYCKLSI-KSSFIOAISA-N 1 1 346.431 0.236 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@H]2C1 ZINC001048847879 757169553 /nfs/dbraw/zinc/16/95/53/757169553.db2.gz KDSAXBGJDDDMRC-HRCADAONSA-N 1 1 335.448 0.448 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@H]2C1 ZINC001048855920 757193655 /nfs/dbraw/zinc/19/36/55/757193655.db2.gz KJSJCIAOSONCHG-BETUJISGSA-N 1 1 339.399 0.701 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCc1cn(C2C[NH+](CCCF)C2)nn1 ZINC001107163781 757197193 /nfs/dbraw/zinc/19/71/93/757197193.db2.gz AYFYBUYHAVCTAP-OAHLLOKOSA-N 1 1 325.388 0.438 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3ccn(C)n3)nn2)C1 ZINC001107170986 757215821 /nfs/dbraw/zinc/21/58/21/757215821.db2.gz HGTWZPHIFCXZBY-UHFFFAOYSA-N 1 1 329.408 0.303 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001030301389 762531578 /nfs/dbraw/zinc/53/15/78/762531578.db2.gz CTHVTHZLTBTMAQ-HZPDHXFCSA-N 1 1 334.464 0.447 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076812913 757259488 /nfs/dbraw/zinc/25/94/88/757259488.db2.gz XQHNDVYOWPHBLU-IXDOHACOSA-N 1 1 328.416 0.314 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC000996292306 757284284 /nfs/dbraw/zinc/28/42/84/757284284.db2.gz ZTMNXFOMKGFHBY-MVWRLGRASA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC000996292306 757284291 /nfs/dbraw/zinc/28/42/91/757284291.db2.gz ZTMNXFOMKGFHBY-MVWRLGRASA-N 1 1 329.444 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C4CC(OC)C4)C[C@H]3C2)C1=O ZINC001048882190 757287355 /nfs/dbraw/zinc/28/73/55/757287355.db2.gz YIGVJIRYLJYGDP-QFDKOSDTSA-N 1 1 347.459 0.589 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@H]12 ZINC000990998691 757306205 /nfs/dbraw/zinc/30/62/05/757306205.db2.gz PTLNOLUHTAYJQL-ZFWWWQNUSA-N 1 1 327.450 0.321 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@H]2C1 ZINC001048891413 757314148 /nfs/dbraw/zinc/31/41/48/757314148.db2.gz MVPKWLUNXGLGAU-GASCZTMLSA-N 1 1 336.457 0.225 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001011262620 757324125 /nfs/dbraw/zinc/32/41/25/757324125.db2.gz ZUJSXFCCVPRAQB-OAHLLOKOSA-N 1 1 347.463 0.696 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@H]2C1 ZINC001048918828 757409552 /nfs/dbraw/zinc/40/95/52/757409552.db2.gz NNJQQJWPASRFQX-PHIMTYICSA-N 1 1 325.390 0.117 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001021440714 757448138 /nfs/dbraw/zinc/44/81/38/757448138.db2.gz SILXOVKCTOETPT-AGUYFDCRSA-N 1 1 342.399 0.304 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)NC)nc1 ZINC001021442451 757450360 /nfs/dbraw/zinc/45/03/60/757450360.db2.gz ZPEBHNJDLWMYEV-WWTUQBGBSA-N 1 1 340.427 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC001011314022 757487504 /nfs/dbraw/zinc/48/75/04/757487504.db2.gz ABDRUKXTVRNRBV-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC001011314022 757487508 /nfs/dbraw/zinc/48/75/08/757487508.db2.gz ABDRUKXTVRNRBV-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001011315077 757491629 /nfs/dbraw/zinc/49/16/29/757491629.db2.gz YABXXDIVCHBUEZ-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC1(C(=O)N(C)[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2O)CCC1 ZINC001048949216 757492105 /nfs/dbraw/zinc/49/21/05/757492105.db2.gz DKCJWOZHKXNRRH-HOTGVXAUSA-N 1 1 349.475 0.550 20 30 ECEDMO CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)C1CCC1 ZINC001076898581 757518098 /nfs/dbraw/zinc/51/80/98/757518098.db2.gz PZZQOTOVNSSOHK-OAGGEKHMSA-N 1 1 332.404 0.476 20 30 ECEDMO CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001076898672 757518301 /nfs/dbraw/zinc/51/83/01/757518301.db2.gz UQDGQUCOILRGSC-HZPDHXFCSA-N 1 1 342.403 0.120 20 30 ECEDMO CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001076898672 757518306 /nfs/dbraw/zinc/51/83/06/757518306.db2.gz UQDGQUCOILRGSC-HZPDHXFCSA-N 1 1 342.403 0.120 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001060316768 762558805 /nfs/dbraw/zinc/55/88/05/762558805.db2.gz GJOXDXSTEPUVEV-ZACQAIPSSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001060316768 762558812 /nfs/dbraw/zinc/55/88/12/762558812.db2.gz GJOXDXSTEPUVEV-ZACQAIPSSA-N 1 1 347.459 0.475 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@H]2O)c[nH]1 ZINC001076907475 757564638 /nfs/dbraw/zinc/56/46/38/757564638.db2.gz QFSIXNJFGBTWEJ-BRWVUGGUSA-N 1 1 346.431 0.602 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048977083 757578922 /nfs/dbraw/zinc/57/89/22/757578922.db2.gz WWSWUERIHATGGN-HZSPNIEDSA-N 1 1 333.432 0.784 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(CCOC)nn2)C1 ZINC001021585830 757643070 /nfs/dbraw/zinc/64/30/70/757643070.db2.gz WOGWAKBNYOHMJG-DOTOQJQBSA-N 1 1 345.447 0.874 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001021591705 757655303 /nfs/dbraw/zinc/65/53/03/757655303.db2.gz MBKCXRCWFFUBRM-UONOGXRCSA-N 1 1 330.436 0.988 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001021596177 757664365 /nfs/dbraw/zinc/66/43/65/757664365.db2.gz HOXJHPSDLJZRJM-ZFWWWQNUSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021605091 757677727 /nfs/dbraw/zinc/67/77/27/757677727.db2.gz JVFZICVTZMDVEX-HOTGVXAUSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(=O)n(C)cn2)C1 ZINC001021607114 757678900 /nfs/dbraw/zinc/67/89/00/757678900.db2.gz MHCMJJFYRQMNPV-GDBMZVCRSA-N 1 1 328.416 0.730 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccnc4c3nnn4C)C[C@H]2C1 ZINC001049009695 757683326 /nfs/dbraw/zinc/68/33/26/757683326.db2.gz FEORNODQXQXGPP-BETUJISGSA-N 1 1 326.404 0.943 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021613601 757685764 /nfs/dbraw/zinc/68/57/64/757685764.db2.gz AHSIUMZSTBTEQW-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)nn2)C1 ZINC001107210700 757692260 /nfs/dbraw/zinc/69/22/60/757692260.db2.gz DFTASPLZBZAFRW-CQSZACIVSA-N 1 1 330.436 0.116 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001021620117 757693169 /nfs/dbraw/zinc/69/31/69/757693169.db2.gz PREHLJSXUBBMHI-LSDHHAIUSA-N 1 1 333.436 0.471 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001021620087 757693180 /nfs/dbraw/zinc/69/31/80/757693180.db2.gz PFFSCMMVPQSPPL-GJZGRUSLSA-N 1 1 333.436 0.471 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 ZINC001021626030 757706352 /nfs/dbraw/zinc/70/63/52/757706352.db2.gz CHRCXVDDZARNLX-LSDHHAIUSA-N 1 1 331.416 0.472 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 ZINC001021626727 757706739 /nfs/dbraw/zinc/70/67/39/757706739.db2.gz HQWHCOHIDPCNFL-HZPDHXFCSA-N 1 1 345.443 0.862 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021631807 757713914 /nfs/dbraw/zinc/71/39/14/757713914.db2.gz ASNAIRAFGFVRGV-JKSUJKDBSA-N 1 1 345.447 0.308 20 30 ECEDMO C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001076953352 757720843 /nfs/dbraw/zinc/72/08/43/757720843.db2.gz WSRZEPMKSLYUMU-HOTGVXAUSA-N 1 1 347.463 0.628 20 30 ECEDMO C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001076952915 757721040 /nfs/dbraw/zinc/72/10/40/757721040.db2.gz FKWUTEFXILAKFC-LSDHHAIUSA-N 1 1 335.452 0.791 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001049023448 757724885 /nfs/dbraw/zinc/72/48/85/757724885.db2.gz DCBRHEMJTIIJTL-IKGGRYGDSA-N 1 1 349.475 0.550 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021661692 757753672 /nfs/dbraw/zinc/75/36/72/757753672.db2.gz RAMVCWPQQXUJHY-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021661692 757753679 /nfs/dbraw/zinc/75/36/79/757753679.db2.gz RAMVCWPQQXUJHY-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)o1 ZINC001076960781 757756094 /nfs/dbraw/zinc/75/60/94/757756094.db2.gz UKONJIVYHCLNFN-HUUCEWRRSA-N 1 1 341.371 0.154 20 30 ECEDMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)o1 ZINC001076960781 757756098 /nfs/dbraw/zinc/75/60/98/757756098.db2.gz UKONJIVYHCLNFN-HUUCEWRRSA-N 1 1 341.371 0.154 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@H]21 ZINC001021662901 757756677 /nfs/dbraw/zinc/75/66/77/757756677.db2.gz YQODADNSEUJXHV-NVXWUHKLSA-N 1 1 343.402 0.975 20 30 ECEDMO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001076981853 757801176 /nfs/dbraw/zinc/80/11/76/757801176.db2.gz SEADMPJSGWOYEK-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001076981853 757801191 /nfs/dbraw/zinc/80/11/91/757801191.db2.gz SEADMPJSGWOYEK-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076982796 757805854 /nfs/dbraw/zinc/80/58/54/757805854.db2.gz KDCOKKRBSYNQRI-HZPDHXFCSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076982796 757805870 /nfs/dbraw/zinc/80/58/70/757805870.db2.gz KDCOKKRBSYNQRI-HZPDHXFCSA-N 1 1 339.399 0.575 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001021709550 757839218 /nfs/dbraw/zinc/83/92/18/757839218.db2.gz CESBVBVNXZUZQQ-ZFWWWQNUSA-N 1 1 339.399 0.995 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021709645 757839349 /nfs/dbraw/zinc/83/93/49/757839349.db2.gz CXPJRUXFUJGDFO-KBPBESRZSA-N 1 1 334.420 0.379 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021709584 757840374 /nfs/dbraw/zinc/84/03/74/757840374.db2.gz CGWCVNXQFFQMSD-HUUCEWRRSA-N 1 1 346.431 0.265 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021712354 757846063 /nfs/dbraw/zinc/84/60/63/757846063.db2.gz IWJKBTORPMXYFD-GJZGRUSLSA-N 1 1 348.447 0.817 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)CC[C@H]32)nc1 ZINC001021713025 757849042 /nfs/dbraw/zinc/84/90/42/757849042.db2.gz CTUBFIBYVGQFJC-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4OCC[C@H]4C)C[C@H]3C2)C1=O ZINC001049067116 757862346 /nfs/dbraw/zinc/86/23/46/757862346.db2.gz YYPWFEGVXFNKEX-NRKLIOEPSA-N 1 1 347.459 0.589 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021730382 757873920 /nfs/dbraw/zinc/87/39/20/757873920.db2.gz NDGFQCXOYQBFOA-LSDHHAIUSA-N 1 1 348.447 0.769 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)on4)C[C@@H]3C2)nn1 ZINC001049102986 757965052 /nfs/dbraw/zinc/96/50/52/757965052.db2.gz BQYZSGDHJAMVCT-OKILXGFUSA-N 1 1 342.403 0.965 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C)on4)C[C@@H]3C2)nn1 ZINC001049102986 757965058 /nfs/dbraw/zinc/96/50/58/757965058.db2.gz BQYZSGDHJAMVCT-OKILXGFUSA-N 1 1 342.403 0.965 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4nccn4C)C[C@@H]3C2)nn1 ZINC001049103754 757966208 /nfs/dbraw/zinc/96/62/08/757966208.db2.gz UANYOBWNYGTMHM-OKILXGFUSA-N 1 1 341.419 0.402 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nccn4C)C[C@@H]3C2)nn1 ZINC001049103754 757966212 /nfs/dbraw/zinc/96/62/12/757966212.db2.gz UANYOBWNYGTMHM-OKILXGFUSA-N 1 1 341.419 0.402 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001011548814 757968805 /nfs/dbraw/zinc/96/88/05/757968805.db2.gz ALBRGLITEVCXIX-UHFFFAOYSA-N 1 1 337.464 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)COC)C[C@@H]3C2)nn1 ZINC001049108803 757981670 /nfs/dbraw/zinc/98/16/70/757981670.db2.gz BLQQYUNGQGHVLT-KFWWJZLASA-N 1 1 333.436 0.893 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001049110990 757984862 /nfs/dbraw/zinc/98/48/62/757984862.db2.gz GHLNZYHZFFEBJZ-DFGXFYAUSA-N 1 1 347.459 0.590 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]2C1 ZINC001049111280 757986262 /nfs/dbraw/zinc/98/62/62/757986262.db2.gz NYNQCJBOUJUWIW-OWYFMNJBSA-N 1 1 335.448 0.492 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049111093 757986497 /nfs/dbraw/zinc/98/64/97/757986497.db2.gz JOUOCNBDFGGGHV-QRJUGERDSA-N 1 1 333.432 0.246 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNc2ccnc(C#N)n2)CC[N@H+]1C ZINC001060317958 762591867 /nfs/dbraw/zinc/59/18/67/762591867.db2.gz SCCIANSRLQUTLC-RBSFLKMASA-N 1 1 342.447 0.903 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3c(C)n[nH]c3C)nn2)C1 ZINC001107234888 758019306 /nfs/dbraw/zinc/01/93/06/758019306.db2.gz VDTYYZPQUUTGOP-UHFFFAOYSA-N 1 1 343.435 0.910 20 30 ECEDMO C=CCCCN1CC(n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001107235020 758019602 /nfs/dbraw/zinc/01/96/02/758019602.db2.gz XJLLBBVDHZQXMN-AWEZNQCLSA-N 1 1 332.452 0.669 20 30 ECEDMO C=CCCCN1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107235020 758019611 /nfs/dbraw/zinc/01/96/11/758019611.db2.gz XJLLBBVDHZQXMN-AWEZNQCLSA-N 1 1 332.452 0.669 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccncn4)C[C@H]3C2)C1=O ZINC001049122833 758033423 /nfs/dbraw/zinc/03/34/23/758033423.db2.gz LEOQYKSSYZMAHX-IJEWVQPXSA-N 1 1 341.415 0.267 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)COCCOCC)nn2)C1 ZINC001107238807 758034586 /nfs/dbraw/zinc/03/45/86/758034586.db2.gz RAECGAXTJRIJED-UHFFFAOYSA-N 1 1 337.424 0.380 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001077065232 758075134 /nfs/dbraw/zinc/07/51/34/758075134.db2.gz UPFDUCHWCGYEDT-RRFJBIMHSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@H]2C1 ZINC001049145744 758122065 /nfs/dbraw/zinc/12/20/65/758122065.db2.gz SSFZCVXQDGZVKC-OKILXGFUSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001077088919 758157022 /nfs/dbraw/zinc/15/70/22/758157022.db2.gz QNXDDEJWSUPBLJ-RRFJBIMHSA-N 1 1 337.464 0.761 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@H]2C1 ZINC001049162009 758179103 /nfs/dbraw/zinc/17/91/03/758179103.db2.gz MBWIVUBZCYBVQJ-GASCZTMLSA-N 1 1 339.399 0.947 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C1 ZINC001049163480 758187249 /nfs/dbraw/zinc/18/72/49/758187249.db2.gz PDIWDYWIPXQNMO-PHIMTYICSA-N 1 1 340.225 0.646 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C1 ZINC001049163480 758187257 /nfs/dbraw/zinc/18/72/57/758187257.db2.gz PDIWDYWIPXQNMO-PHIMTYICSA-N 1 1 340.225 0.646 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCCO3)CCC[C@@H]12 ZINC001107296168 758194902 /nfs/dbraw/zinc/19/49/02/758194902.db2.gz JICVZQJKOOCTGK-GPMSIDNRSA-N 1 1 347.459 0.666 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001011661790 758236725 /nfs/dbraw/zinc/23/67/25/758236725.db2.gz NUPGOHNYWNRIHO-FZMZJTMJSA-N 1 1 340.387 0.811 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@@H]2C1 ZINC001049190613 758259245 /nfs/dbraw/zinc/25/92/45/758259245.db2.gz YJVVZNHJMMNBJB-HDICACEKSA-N 1 1 349.438 0.929 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107331058 758272125 /nfs/dbraw/zinc/27/21/25/758272125.db2.gz ZHHPWZXDEREFLF-RHSMWYFYSA-N 1 1 334.420 0.190 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001077124766 758287213 /nfs/dbraw/zinc/28/72/13/758287213.db2.gz FDWGWUSNDGSLED-BBWFWOEESA-N 1 1 348.491 0.579 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ocnc1CC ZINC001077125336 758289715 /nfs/dbraw/zinc/28/97/15/758289715.db2.gz SDHUKABEFRKLBF-ZFWWWQNUSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ocnc1CC ZINC001077125336 758289723 /nfs/dbraw/zinc/28/97/23/758289723.db2.gz SDHUKABEFRKLBF-ZFWWWQNUSA-N 1 1 346.431 0.959 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCS(C)(=O)=O)CC2 ZINC001107335843 758318348 /nfs/dbraw/zinc/31/83/48/758318348.db2.gz CYCURUOMXFEZCG-SQWLQELKSA-N 1 1 341.477 0.942 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCS(C)(=O)=O)CC2 ZINC001107335841 758318391 /nfs/dbraw/zinc/31/83/91/758318391.db2.gz CYCURUOMXFEZCG-IIAWOOMASA-N 1 1 341.477 0.942 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NCC2=CCN(c3cncc(C#N)n3)CC2)C1 ZINC001127755906 758318801 /nfs/dbraw/zinc/31/88/01/758318801.db2.gz FFOOSUNTECZLMR-CQSZACIVSA-N 1 1 340.431 0.943 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nccs2)C1 ZINC001051660076 762617730 /nfs/dbraw/zinc/61/77/30/762617730.db2.gz KIQUYNZHZHQSEQ-CABCVRRESA-N 1 1 348.472 0.558 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)/C=C/C3CC3)CCC[C@@H]12 ZINC001107350088 758365254 /nfs/dbraw/zinc/36/52/54/758365254.db2.gz BOGUSNGDXXALJI-CDZANEANSA-N 1 1 330.432 0.953 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1O ZINC001077158771 758374187 /nfs/dbraw/zinc/37/41/87/758374187.db2.gz XSNQNIUWPQTXTL-FGTMMUONSA-N 1 1 342.443 0.149 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1O ZINC001077158771 758374196 /nfs/dbraw/zinc/37/41/96/758374196.db2.gz XSNQNIUWPQTXTL-FGTMMUONSA-N 1 1 342.443 0.149 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001077164464 758394848 /nfs/dbraw/zinc/39/48/48/758394848.db2.gz PJUBROSLGNZJBF-BRSBDYLESA-N 1 1 346.427 0.881 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001077164464 758394857 /nfs/dbraw/zinc/39/48/57/758394857.db2.gz PJUBROSLGNZJBF-BRSBDYLESA-N 1 1 346.427 0.881 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@@H]1O ZINC001049249417 758433313 /nfs/dbraw/zinc/43/33/13/758433313.db2.gz CKSXHDVKUMRNNC-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001022220762 758441756 /nfs/dbraw/zinc/44/17/56/758441756.db2.gz NXAYSLBVGZDFGA-LZWOXQAQSA-N 1 1 330.436 0.132 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)C#CC1CC1 ZINC001011737895 758445499 /nfs/dbraw/zinc/44/54/99/758445499.db2.gz ANSPCOLMMAMCHN-IUODEOHRSA-N 1 1 344.415 0.869 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1O ZINC001049268602 758460620 /nfs/dbraw/zinc/46/06/20/758460620.db2.gz QJQACZGVXSBFLA-JYJNAYRXSA-N 1 1 339.480 0.961 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2ccnn2)C1 ZINC001077195528 758482365 /nfs/dbraw/zinc/48/23/65/758482365.db2.gz BONNCAIDBRMPDS-DGCLKSJQSA-N 1 1 331.401 0.127 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C/CNc2ccnc(C#N)n2)C1 ZINC001107465448 758622568 /nfs/dbraw/zinc/62/25/68/758622568.db2.gz BLNAJWKWPWMQLZ-BWPKMQGJSA-N 1 1 342.447 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001011805316 758628288 /nfs/dbraw/zinc/62/82/88/758628288.db2.gz AIPNMZWWFJMGMV-HNNXBMFYSA-N 1 1 340.427 0.689 20 30 ECEDMO C=C(Br)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779960 758631130 /nfs/dbraw/zinc/63/11/30/758631130.db2.gz UNLHECWMPXMEDL-NWDGAFQWSA-N 1 1 332.242 0.464 20 30 ECEDMO C=C(Br)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779960 758631137 /nfs/dbraw/zinc/63/11/37/758631137.db2.gz UNLHECWMPXMEDL-NWDGAFQWSA-N 1 1 332.242 0.464 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001030332135 762646974 /nfs/dbraw/zinc/64/69/74/762646974.db2.gz YNZRJPWIIFAWKI-IMJJTQAJSA-N 1 1 335.448 0.684 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001077298029 758728945 /nfs/dbraw/zinc/72/89/45/758728945.db2.gz KEGWRNFOTJHGLZ-HUUCEWRRSA-N 1 1 325.372 0.270 20 30 ECEDMO C=CCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2O)CCC1 ZINC001049453905 758732931 /nfs/dbraw/zinc/73/29/31/758732931.db2.gz NMKNSBHFPVWLKG-JYJNAYRXSA-N 1 1 349.475 0.857 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(CCOC)nn1 ZINC001049465825 758761362 /nfs/dbraw/zinc/76/13/62/758761362.db2.gz WBWGMWJOHHMNMT-CVEARBPZSA-N 1 1 331.420 0.627 20 30 ECEDMO CN1CCC[C@@H]1C(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1 ZINC000996766986 758772462 /nfs/dbraw/zinc/77/24/62/758772462.db2.gz RFSMFFJKVZHKEL-OFLPRAFFSA-N 1 1 333.480 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001049474052 758777136 /nfs/dbraw/zinc/77/71/36/758777136.db2.gz ORQPHKZBNPJREC-VNQPRFMTSA-N 1 1 341.415 0.461 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]c(CC)n2)cn1 ZINC001105909523 762658330 /nfs/dbraw/zinc/65/83/30/762658330.db2.gz JMKJPEXJMLJMJI-OAHLLOKOSA-N 1 1 339.399 0.927 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CCOCC)nn2)C1 ZINC001098669144 758820824 /nfs/dbraw/zinc/82/08/24/758820824.db2.gz IIGFLDWQCFQWQN-INIZCTEOSA-N 1 1 333.436 0.981 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)n(C)c1=O ZINC001049507716 758824714 /nfs/dbraw/zinc/82/47/14/758824714.db2.gz LWWSTDODAWGCSV-LSDHHAIUSA-N 1 1 346.431 0.188 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](C)COC)nn2)C1 ZINC001098669204 758847641 /nfs/dbraw/zinc/84/76/41/758847641.db2.gz KAXTULAMHGUJAO-GDBMZVCRSA-N 1 1 333.436 0.980 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049523535 758856486 /nfs/dbraw/zinc/85/64/86/758856486.db2.gz ZFYXNRWVJUHSEJ-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001049548754 758907586 /nfs/dbraw/zinc/90/75/86/758907586.db2.gz OBITZAYLFZOTQQ-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 ZINC001049558463 758920354 /nfs/dbraw/zinc/92/03/54/758920354.db2.gz PYYWERJSYSSIQS-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001011912508 758929632 /nfs/dbraw/zinc/92/96/32/758929632.db2.gz VUMXPNGGBWGJOD-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001011912508 758929638 /nfs/dbraw/zinc/92/96/38/758929638.db2.gz VUMXPNGGBWGJOD-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nnc(-c2ccco2)n1 ZINC001049568346 758936058 /nfs/dbraw/zinc/93/60/58/758936058.db2.gz UUCBQSSKRFSKCJ-ZIAGYGMSSA-N 1 1 340.387 0.632 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001077375760 758937862 /nfs/dbraw/zinc/93/78/62/758937862.db2.gz DQIPYHTZSMAJGU-GHMZBOCLSA-N 1 1 328.294 0.294 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001077375760 758937864 /nfs/dbraw/zinc/93/78/64/758937864.db2.gz DQIPYHTZSMAJGU-GHMZBOCLSA-N 1 1 328.294 0.294 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001049571783 758942149 /nfs/dbraw/zinc/94/21/49/758942149.db2.gz HANNLAUSXAHVHL-LSDHHAIUSA-N 1 1 340.383 0.725 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001049621760 759003436 /nfs/dbraw/zinc/00/34/36/759003436.db2.gz SANLYIYVUCSFNS-LSDHHAIUSA-N 1 1 344.415 0.827 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC001049642942 759042937 /nfs/dbraw/zinc/04/29/37/759042937.db2.gz BQEYRIXSWLFDLV-ZIAGYGMSSA-N 1 1 348.447 0.816 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001049680700 759083780 /nfs/dbraw/zinc/08/37/80/759083780.db2.gz RAONJRGSXDDJPZ-CWRNSKLLSA-N 1 1 327.432 0.619 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)c(F)c1 ZINC001049690047 759103369 /nfs/dbraw/zinc/10/33/69/759103369.db2.gz FQWPQNZTAGPGFQ-LSDHHAIUSA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)c(F)c1 ZINC001049690047 759103373 /nfs/dbraw/zinc/10/33/73/759103373.db2.gz FQWPQNZTAGPGFQ-LSDHHAIUSA-N 1 1 330.363 0.748 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001049692586 759107643 /nfs/dbraw/zinc/10/76/43/759107643.db2.gz TYUXJUWVXURQSZ-HZPDHXFCSA-N 1 1 329.375 0.728 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC#Cc1ccc(F)cc1 ZINC001049692586 759107650 /nfs/dbraw/zinc/10/76/50/759107650.db2.gz TYUXJUWVXURQSZ-HZPDHXFCSA-N 1 1 329.375 0.728 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CCC(=O)NCC)CC2)C1 ZINC001105696053 759145145 /nfs/dbraw/zinc/14/51/45/759145145.db2.gz UCNMXEGWHCRNPE-UHFFFAOYSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)nn1 ZINC001022824481 759145526 /nfs/dbraw/zinc/14/55/26/759145526.db2.gz CXDACOSIVOFBOV-TXEJJXNPSA-N 1 1 345.411 0.082 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nccc(C)n3)C2)nn1 ZINC001022825110 759148151 /nfs/dbraw/zinc/14/81/51/759148151.db2.gz STQGLZXMIGOSMB-BETUJISGSA-N 1 1 327.392 0.613 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001049764153 759177167 /nfs/dbraw/zinc/17/71/67/759177167.db2.gz TUXHMDOHTPSIDZ-HRCADAONSA-N 1 1 338.473 0.900 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001049769781 759183619 /nfs/dbraw/zinc/18/36/19/759183619.db2.gz QIVLXIWZYBLTLS-CABCVRRESA-N 1 1 346.431 0.339 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)NC ZINC001049777504 759192293 /nfs/dbraw/zinc/19/22/93/759192293.db2.gz INGYEVUWJSHQEK-MPTYRVRUSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)NC ZINC001049777504 759192299 /nfs/dbraw/zinc/19/22/99/759192299.db2.gz INGYEVUWJSHQEK-MPTYRVRUSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049779170 759195038 /nfs/dbraw/zinc/19/50/38/759195038.db2.gz SJIZEQCMQBXKIF-HASVCBABSA-N 1 1 332.404 0.226 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001049782046 759199018 /nfs/dbraw/zinc/19/90/18/759199018.db2.gz NOMLLVPCLUTPRX-ZNMIVQPWSA-N 1 1 339.461 0.109 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049787510 759207331 /nfs/dbraw/zinc/20/73/31/759207331.db2.gz ITZYNLZFUJQJOA-LSDHHAIUSA-N 1 1 344.415 0.015 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C(F)(F)F)[C@@H](O)C1 ZINC001083600821 759237894 /nfs/dbraw/zinc/23/78/94/759237894.db2.gz PRBUDHGYFXPQAJ-MNOVXSKESA-N 1 1 332.326 0.790 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c(C)cc(C)nc1=O ZINC001049817356 759250547 /nfs/dbraw/zinc/25/05/47/759250547.db2.gz XYDPYQCETZMVIZ-SJORKVTESA-N 1 1 342.443 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049827112 759261264 /nfs/dbraw/zinc/26/12/64/759261264.db2.gz UQXOURBXXRAGHD-OLZOCXBDSA-N 1 1 332.404 0.015 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 ZINC000991088164 759262710 /nfs/dbraw/zinc/26/27/10/759262710.db2.gz KGEFJOXDUWJMFK-MAUKXSAKSA-N 1 1 335.448 0.925 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001049839801 759280390 /nfs/dbraw/zinc/28/03/90/759280390.db2.gz DIXSASVAELSBAZ-KBPBESRZSA-N 1 1 344.415 0.811 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001049839801 759280396 /nfs/dbraw/zinc/28/03/96/759280396.db2.gz DIXSASVAELSBAZ-KBPBESRZSA-N 1 1 344.415 0.811 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)[C@@H](O)C1 ZINC001083610184 759285083 /nfs/dbraw/zinc/28/50/83/759285083.db2.gz IPHHFWFDOCLCAU-WBVHZDCISA-N 1 1 343.427 0.947 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O ZINC001049870712 759323557 /nfs/dbraw/zinc/32/35/57/759323557.db2.gz NHSQHLPIUVYQDE-GJZGRUSLSA-N 1 1 333.436 0.532 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001054239736 767852117 /nfs/dbraw/zinc/85/21/17/767852117.db2.gz SUGXNPAYDCRNIB-GOSISDBHSA-N 1 1 346.431 0.990 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O ZINC001049886679 759349735 /nfs/dbraw/zinc/34/97/35/759349735.db2.gz SVKLAJMESHAISH-ZIAGYGMSSA-N 1 1 334.420 0.522 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049887441 759352048 /nfs/dbraw/zinc/35/20/48/759352048.db2.gz ZXABRUAWPLBYJZ-KBPBESRZSA-N 1 1 330.388 0.188 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1nc2ncccn2n1 ZINC001049891062 759359721 /nfs/dbraw/zinc/35/97/21/759359721.db2.gz QJTYIMOUWVKOEU-KBPBESRZSA-N 1 1 326.404 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cnnn2)c1 ZINC001049893263 759366101 /nfs/dbraw/zinc/36/61/01/759366101.db2.gz OJYSCLIVLZGNKF-DLBZAZTESA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C(N)=O)C1 ZINC001047637398 759369407 /nfs/dbraw/zinc/36/94/07/759369407.db2.gz WPSZJJPJFRZZGQ-KBPBESRZSA-N 1 1 332.404 0.264 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001049898354 759375165 /nfs/dbraw/zinc/37/51/65/759375165.db2.gz ATYFSRGJXQVONH-MGPQQGTHSA-N 1 1 327.450 0.320 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(N(C)C)nn1 ZINC001089889185 759375418 /nfs/dbraw/zinc/37/54/18/759375418.db2.gz KYCPZTPPOCVBHW-MPTYRVRUSA-N 1 1 339.443 0.958 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccnc1C(N)=O ZINC001049910513 759393780 /nfs/dbraw/zinc/39/37/80/759393780.db2.gz VJCXCUQNYQRSAE-CABCVRRESA-N 1 1 326.400 0.883 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(COC)n2)C1 ZINC001047645039 759393858 /nfs/dbraw/zinc/39/38/58/759393858.db2.gz BKRMUJGAFBGYMN-STQMWFEESA-N 1 1 325.434 0.983 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001047648952 759407343 /nfs/dbraw/zinc/40/73/43/759407343.db2.gz JVWOVLOQAXNULX-GQGLESIBSA-N 1 1 337.464 0.761 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001047649149 759408245 /nfs/dbraw/zinc/40/82/45/759408245.db2.gz RIGOAVUTBKCCMS-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001047653138 759415234 /nfs/dbraw/zinc/41/52/34/759415234.db2.gz HRIBKSKIFAYPED-HOTGVXAUSA-N 1 1 331.416 0.969 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cnnn2)cc1 ZINC001017340486 767864431 /nfs/dbraw/zinc/86/44/31/767864431.db2.gz JYHOYCLOUIGXBN-IYBDPMFKSA-N 1 1 337.387 0.420 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cnnn2)cc1 ZINC001017340486 767864437 /nfs/dbraw/zinc/86/44/37/767864437.db2.gz JYHOYCLOUIGXBN-IYBDPMFKSA-N 1 1 337.387 0.420 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001050003494 759532574 /nfs/dbraw/zinc/53/25/74/759532574.db2.gz DOMZEISONNDIHX-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001050003494 759532581 /nfs/dbraw/zinc/53/25/81/759532581.db2.gz DOMZEISONNDIHX-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)c1 ZINC001050009273 759545577 /nfs/dbraw/zinc/54/55/77/759545577.db2.gz PMPGFLQKNVYYTO-XJKSGUPXSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)c1 ZINC001050009273 759545585 /nfs/dbraw/zinc/54/55/85/759545585.db2.gz PMPGFLQKNVYYTO-XJKSGUPXSA-N 1 1 341.415 0.701 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001054250616 767870997 /nfs/dbraw/zinc/87/09/97/767870997.db2.gz XYDAJNGFDJZWJV-KDOFPFPSSA-N 1 1 331.416 0.377 20 30 ECEDMO CN1C[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)CCC1=O ZINC001032207575 759646322 /nfs/dbraw/zinc/64/63/22/759646322.db2.gz CZQSVNIHQKSKCE-SFHVURJKSA-N 1 1 339.439 0.955 20 30 ECEDMO C#CCOCCC(=O)N1CCC(OC2C[NH+](C[C@@H](C)OC)C2)CC1 ZINC001105708655 759662327 /nfs/dbraw/zinc/66/23/27/759662327.db2.gz SQXBRBOUEFPJDY-OAHLLOKOSA-N 1 1 338.448 0.753 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn4c(n3)COCC4)[C@@H]2C1 ZINC001050077157 759663170 /nfs/dbraw/zinc/66/31/70/759663170.db2.gz PGHXFWRIVOLBBB-GOEBONIOSA-N 1 1 328.416 0.973 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050130482 759770301 /nfs/dbraw/zinc/77/03/01/759770301.db2.gz BGUYTMGLBAZADQ-DZGCQCFKSA-N 1 1 342.399 0.475 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050130482 759770305 /nfs/dbraw/zinc/77/03/05/759770305.db2.gz BGUYTMGLBAZADQ-DZGCQCFKSA-N 1 1 342.399 0.475 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC001050154866 759815434 /nfs/dbraw/zinc/81/54/34/759815434.db2.gz ULQQMHOSDTVWHI-LSDHHAIUSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC001050154866 759815442 /nfs/dbraw/zinc/81/54/42/759815442.db2.gz ULQQMHOSDTVWHI-LSDHHAIUSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2C1 ZINC001054284153 767894107 /nfs/dbraw/zinc/89/41/07/767894107.db2.gz HHNAKMAYSGPVFG-HNNXBMFYSA-N 1 1 340.383 0.240 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cnon4)[C@@H]3C2)C1=O ZINC001050167355 759845128 /nfs/dbraw/zinc/84/51/28/759845128.db2.gz SKWUFBYGKJTRFC-AEGPPILISA-N 1 1 345.403 0.393 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH2+]Cc3nnn(C)n3)C2)nc1 ZINC001048034590 759863329 /nfs/dbraw/zinc/86/33/29/759863329.db2.gz ONHXCLJRJIRBEE-GXTWGEPZSA-N 1 1 339.403 0.227 20 30 ECEDMO Cn1ncc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)n1 ZINC000995633095 759893562 /nfs/dbraw/zinc/89/35/62/759893562.db2.gz ILMAYSLNLMRSMU-CQSZACIVSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](CNc2ccnc(C#N)n2)C1 ZINC001048060815 759901187 /nfs/dbraw/zinc/90/11/87/759901187.db2.gz IXTJROBCRGCIOM-ILXRZTDVSA-N 1 1 342.447 0.903 20 30 ECEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054291733 767900171 /nfs/dbraw/zinc/90/01/71/767900171.db2.gz DVKZINNXVFIUFU-HNNXBMFYSA-N 1 1 335.429 0.496 20 30 ECEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054291733 767900176 /nfs/dbraw/zinc/90/01/76/767900176.db2.gz DVKZINNXVFIUFU-HNNXBMFYSA-N 1 1 335.429 0.496 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001050192264 759907322 /nfs/dbraw/zinc/90/73/22/759907322.db2.gz BLCNEOOIUHYBEN-GVDBMIGSSA-N 1 1 335.448 0.733 20 30 ECEDMO C[C@H]([NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C)c1nnnn1C ZINC000995649921 759936321 /nfs/dbraw/zinc/93/63/21/759936321.db2.gz MFFJYMSJEXOJHX-GWCFXTLKSA-N 1 1 342.407 0.611 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001050220392 759961442 /nfs/dbraw/zinc/96/14/42/759961442.db2.gz NQLRVNSQWBGSBO-SOUVJXGZSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc(C)nn3)C2)nn1 ZINC001098673111 760150150 /nfs/dbraw/zinc/15/01/50/760150150.db2.gz MXARVIFSIMVXFM-CQSZACIVSA-N 1 1 327.392 0.739 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)c1 ZINC001012517386 760158690 /nfs/dbraw/zinc/15/86/90/760158690.db2.gz UCMGEDBTYTWAPK-OAHLLOKOSA-N 1 1 340.427 0.689 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)no1 ZINC001048250387 760163007 /nfs/dbraw/zinc/16/30/07/760163007.db2.gz BOUCTORUHAQHIK-DZGCQCFKSA-N 1 1 346.431 0.856 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001012564717 760300178 /nfs/dbraw/zinc/30/01/78/760300178.db2.gz FXKQHJIDWRUCNP-XHSDSOJGSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](n2cc(C[NH2+]CCOCC)nn2)C1 ZINC001098673439 760373914 /nfs/dbraw/zinc/37/39/14/760373914.db2.gz QIICITVRZYUWRM-INIZCTEOSA-N 1 1 349.435 0.218 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2ncc3cc(C)cnc32)[C@@H](O)C1 ZINC001083646701 760377615 /nfs/dbraw/zinc/37/76/15/760377615.db2.gz QYLFNHLGELJYCK-CABCVRRESA-N 1 1 329.404 0.477 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001077583552 760415650 /nfs/dbraw/zinc/41/56/50/760415650.db2.gz AMGOAGWSTZGVIZ-USXIJHARSA-N 1 1 332.448 0.881 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C(C)=C\CC)C1 ZINC001048458674 760560847 /nfs/dbraw/zinc/56/08/47/760560847.db2.gz VQPCFWKFUVGKJK-DYCFVZSFSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C(C)=C\CC)C1 ZINC001048458674 760560853 /nfs/dbraw/zinc/56/08/53/760560853.db2.gz VQPCFWKFUVGKJK-DYCFVZSFSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC001127061892 760623070 /nfs/dbraw/zinc/62/30/70/760623070.db2.gz XIXXKLUIPYDZJH-GFCCVEGCSA-N 1 1 347.444 0.788 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)c[nH]1 ZINC001048517987 760648532 /nfs/dbraw/zinc/64/85/32/760648532.db2.gz JBPLVCHYVXNXOE-MSQAHXEGSA-N 1 1 341.415 0.748 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCN(C)S1(=O)=O)C2 ZINC001048574409 760739077 /nfs/dbraw/zinc/73/90/77/760739077.db2.gz XBMAYEVJLCEBFF-XGUBFFRZSA-N 1 1 341.477 0.566 20 30 ECEDMO CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1NCC#N ZINC000995900788 760747538 /nfs/dbraw/zinc/74/75/38/760747538.db2.gz ZFCJKHMKMXPRRF-JKSUJKDBSA-N 1 1 334.464 0.980 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001048586326 760757823 /nfs/dbraw/zinc/75/78/23/760757823.db2.gz FKNKPZLIYPBGML-YVSFHVDLSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001048589261 760764162 /nfs/dbraw/zinc/76/41/62/760764162.db2.gz FISFSLOHOYPBRY-MHORFTMASA-N 1 1 347.459 0.616 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1ccncc1C#N ZINC001048613250 760792733 /nfs/dbraw/zinc/79/27/33/760792733.db2.gz NGVQPMCQLSPNLX-ZMSDIMECSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1ccncc1C#N ZINC001048613250 760792736 /nfs/dbraw/zinc/79/27/36/760792736.db2.gz NGVQPMCQLSPNLX-ZMSDIMECSA-N 1 1 343.431 0.757 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C ZINC001050801456 760879112 /nfs/dbraw/zinc/87/91/12/760879112.db2.gz MGNCHXUUXDDWGK-OCCSQVGLSA-N 1 1 325.376 0.637 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cccn4C)C[C@H]3C2)C1=O ZINC001048684009 760931593 /nfs/dbraw/zinc/93/15/93/760931593.db2.gz GSRXTPRUUNRSLD-UXLLHSPISA-N 1 1 342.443 0.816 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)[C@@H](O)C1 ZINC001083675365 761034106 /nfs/dbraw/zinc/03/41/06/761034106.db2.gz YMYXBFSKZMIGHF-CFVMTHIKSA-N 1 1 334.420 0.275 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CCOCC2)[nH]1 ZINC001050871891 761045467 /nfs/dbraw/zinc/04/54/67/761045467.db2.gz HGHSNBBSCKEEJH-HNNXBMFYSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC2CCOCC2)[nH]1 ZINC001050871891 761045479 /nfs/dbraw/zinc/04/54/79/761045479.db2.gz HGHSNBBSCKEEJH-HNNXBMFYSA-N 1 1 332.404 0.744 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CCCC3)C[C@@H]2C1 ZINC001048725466 761048696 /nfs/dbraw/zinc/04/86/96/761048696.db2.gz SEEFKTYIAFQBEL-TUVASFSCSA-N 1 1 332.448 0.984 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC[C@@H]3C)C[C@@H]2C1 ZINC001048727263 761053369 /nfs/dbraw/zinc/05/33/69/761053369.db2.gz INFAHRKGECSDFA-YHUYYLMFSA-N 1 1 332.448 0.937 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC000991481750 761150852 /nfs/dbraw/zinc/15/08/52/761150852.db2.gz JGLFZHSBVYXREV-KBPBESRZSA-N 1 1 334.420 0.482 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001050953312 761210371 /nfs/dbraw/zinc/21/03/71/761210371.db2.gz ZGQLUVHIZHWDIS-CVEARBPZSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001099204016 768024113 /nfs/dbraw/zinc/02/41/13/768024113.db2.gz VMJUCPYTCNQTND-ZDUSSCGKSA-N 1 1 329.466 0.295 20 30 ECEDMO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054552510 768039486 /nfs/dbraw/zinc/03/94/86/768039486.db2.gz VSFJLYDWGREIRD-IINYFYTJSA-N 1 1 340.391 0.458 20 30 ECEDMO CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001051085363 761461647 /nfs/dbraw/zinc/46/16/47/761461647.db2.gz DSTBNPPHPNHDDZ-NVXWUHKLSA-N 1 1 330.432 0.594 20 30 ECEDMO C=C(Br)CN1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001051240634 761743032 /nfs/dbraw/zinc/74/30/32/761743032.db2.gz IFTBBUKMLJMDCJ-STQMWFEESA-N 1 1 346.269 0.664 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001054603280 768072932 /nfs/dbraw/zinc/07/29/32/768072932.db2.gz LUSZWWKGIOODBF-RISCZKNCSA-N 1 1 342.407 0.533 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccncc2C#N)C[C@H]1O ZINC001051749337 762868740 /nfs/dbraw/zinc/86/87/40/762868740.db2.gz DSMWBDOMTQFMPE-GDBMZVCRSA-N 1 1 340.387 0.214 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(=O)n(CCOC)n3)CCC[C@@H]12 ZINC000991708830 762870593 /nfs/dbraw/zinc/87/05/93/762870593.db2.gz JYEZXWIMNUEOJW-QAPCUYQASA-N 1 1 344.415 0.250 20 30 ECEDMO Cc1nc(NCC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001106295037 768091975 /nfs/dbraw/zinc/09/19/75/768091975.db2.gz WVRIIMNQSVCBBE-WFASDCNBSA-N 1 1 331.420 0.899 20 30 ECEDMO Cc1nc(NCC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001106295037 768091981 /nfs/dbraw/zinc/09/19/81/768091981.db2.gz WVRIIMNQSVCBBE-WFASDCNBSA-N 1 1 331.420 0.899 20 30 ECEDMO Cc1cc(NCC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001106294393 768097349 /nfs/dbraw/zinc/09/73/49/768097349.db2.gz RIYHZFHEYAABHA-LRDDRELGSA-N 1 1 331.420 0.321 20 30 ECEDMO Cc1cc(NCC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001106294393 768097357 /nfs/dbraw/zinc/09/73/57/768097357.db2.gz RIYHZFHEYAABHA-LRDDRELGSA-N 1 1 331.420 0.321 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nocc2C)C1 ZINC001051834158 763076162 /nfs/dbraw/zinc/07/61/62/763076162.db2.gz HZPSZZMKHOVZEM-FMKPAKJESA-N 1 1 335.404 0.891 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1=O ZINC001031861880 763118560 /nfs/dbraw/zinc/11/85/60/763118560.db2.gz NDISYPDJVLTPOW-NEMWNAMBSA-N 1 1 345.443 0.245 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001046783329 763120847 /nfs/dbraw/zinc/12/08/47/763120847.db2.gz NDFWQIQUWINWSM-GOSISDBHSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)cn1 ZINC001046783329 763120852 /nfs/dbraw/zinc/12/08/52/763120852.db2.gz NDFWQIQUWINWSM-GOSISDBHSA-N 1 1 326.400 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCCCC2)C1 ZINC001014768318 763121289 /nfs/dbraw/zinc/12/12/89/763121289.db2.gz BPCCEMKTQFJIBY-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCCCC2)C1 ZINC001014768318 763121294 /nfs/dbraw/zinc/12/12/94/763121294.db2.gz BPCCEMKTQFJIBY-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)N2CCCCC2)C1 ZINC001014768319 763121785 /nfs/dbraw/zinc/12/17/85/763121785.db2.gz BPCCEMKTQFJIBY-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)N2CCCCC2)C1 ZINC001014768319 763121790 /nfs/dbraw/zinc/12/17/90/763121790.db2.gz BPCCEMKTQFJIBY-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001089841383 763121890 /nfs/dbraw/zinc/12/18/90/763121890.db2.gz FPVYYDLFWWKAAI-JKQORVJESA-N 1 1 340.427 0.586 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C)n2CC)C1 ZINC001014768609 763123405 /nfs/dbraw/zinc/12/34/05/763123405.db2.gz DVVYRECGXOIYPT-HOTGVXAUSA-N 1 1 344.463 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C)n2CC)C1 ZINC001014768609 763123408 /nfs/dbraw/zinc/12/34/08/763123408.db2.gz DVVYRECGXOIYPT-HOTGVXAUSA-N 1 1 344.463 0.395 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2nc(C)nc2C)C1 ZINC001014775313 763134158 /nfs/dbraw/zinc/13/41/58/763134158.db2.gz MHXNUYQIXDLBQL-IRXDYDNUSA-N 1 1 344.463 0.183 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)cn1 ZINC001089842439 763134327 /nfs/dbraw/zinc/13/43/27/763134327.db2.gz JRGQWLUGNBTQRC-NHIYQJMISA-N 1 1 328.416 0.749 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001105972841 763136275 /nfs/dbraw/zinc/13/62/75/763136275.db2.gz QPINPRAWHTWNEZ-KGLIPLIRSA-N 1 1 332.408 0.110 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001105973185 763140086 /nfs/dbraw/zinc/14/00/86/763140086.db2.gz VZKQWFYHXCNTNN-LSDHHAIUSA-N 1 1 331.420 0.715 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001014780152 763140225 /nfs/dbraw/zinc/14/02/25/763140225.db2.gz QLVSUYNKEAFASH-ZBFHGGJFSA-N 1 1 332.473 0.974 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001105973536 763141452 /nfs/dbraw/zinc/14/14/52/763141452.db2.gz YXCZWNBLXHXMEK-KBPBESRZSA-N 1 1 332.408 0.110 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccncc3C#N)C2)C1 ZINC001051879256 763190289 /nfs/dbraw/zinc/19/02/89/763190289.db2.gz UNNSEBWKPWQONX-PXCJXSSVSA-N 1 1 329.404 0.012 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccncc3C#N)C2)C1 ZINC001051879256 763190294 /nfs/dbraw/zinc/19/02/94/763190294.db2.gz UNNSEBWKPWQONX-PXCJXSSVSA-N 1 1 329.404 0.012 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccoc2CC(N)=O)C1 ZINC001089854006 763194417 /nfs/dbraw/zinc/19/44/17/763194417.db2.gz ZKLIJLOYOKGTEK-TUUVXOQKSA-N 1 1 341.411 0.723 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001105983094 763236563 /nfs/dbraw/zinc/23/65/63/763236563.db2.gz VWEHTIWUCGWDQF-ZFWWWQNUSA-N 1 1 346.435 0.500 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001046854700 763242271 /nfs/dbraw/zinc/24/22/71/763242271.db2.gz RRCOAMSYAHHXBM-INIZCTEOSA-N 1 1 334.424 0.137 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccc(C#N)nn3)C2)C1 ZINC001051947864 763418269 /nfs/dbraw/zinc/41/82/69/763418269.db2.gz LYPGLJOPRIQXPB-PESDSKBTSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccc(C#N)nn3)C2)C1 ZINC001051947864 763418280 /nfs/dbraw/zinc/41/82/80/763418280.db2.gz LYPGLJOPRIQXPB-PESDSKBTSA-N 1 1 344.419 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc(OC)ns2)C1 ZINC001030461866 763432521 /nfs/dbraw/zinc/43/25/21/763432521.db2.gz BODWXVVQJRBVPK-AWEZNQCLSA-N 1 1 334.445 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc(OC)ns2)C1 ZINC001030461866 763432527 /nfs/dbraw/zinc/43/25/27/763432527.db2.gz BODWXVVQJRBVPK-AWEZNQCLSA-N 1 1 334.445 0.550 20 30 ECEDMO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031897680 763439938 /nfs/dbraw/zinc/43/99/38/763439938.db2.gz VNMCSXKGPJTXSC-IAGOWNOFSA-N 1 1 325.412 0.598 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001046948317 763441176 /nfs/dbraw/zinc/44/11/76/763441176.db2.gz GFNXFOVXBVMLGY-QLFBSQMISA-N 1 1 343.418 0.802 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)C(=O)NC2CCCC2)C1 ZINC001030463347 763444549 /nfs/dbraw/zinc/44/45/49/763444549.db2.gz KGDHEALCDTZGAZ-PBHICJAKSA-N 1 1 346.475 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)C(=O)NC2CCCC2)C1 ZINC001030463347 763444556 /nfs/dbraw/zinc/44/45/56/763444556.db2.gz KGDHEALCDTZGAZ-PBHICJAKSA-N 1 1 346.475 0.332 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046950327 763444860 /nfs/dbraw/zinc/44/48/60/763444860.db2.gz GTTLJYUDIWAVAZ-NSHDSACASA-N 1 1 326.347 0.653 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001046953851 763454007 /nfs/dbraw/zinc/45/40/07/763454007.db2.gz LXZHBWHOBYGEIC-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001046953851 763454011 /nfs/dbraw/zinc/45/40/11/763454011.db2.gz LXZHBWHOBYGEIC-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc3n(n2)CCC3)C1 ZINC001030464295 763457309 /nfs/dbraw/zinc/45/73/09/763457309.db2.gz NXHKMRLTKYWXCL-KRWDZBQOSA-N 1 1 327.432 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc3n(n2)CCC3)C1 ZINC001030464295 763457315 /nfs/dbraw/zinc/45/73/15/763457315.db2.gz NXHKMRLTKYWXCL-KRWDZBQOSA-N 1 1 327.432 0.227 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(C)c3C)C2)CC1 ZINC001051981045 763508240 /nfs/dbraw/zinc/50/82/40/763508240.db2.gz MRRNDGDOWNUKBD-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001046989574 763521738 /nfs/dbraw/zinc/52/17/38/763521738.db2.gz BMNWAHGYJZOHEW-KBPBESRZSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001046989574 763521742 /nfs/dbraw/zinc/52/17/42/763521742.db2.gz BMNWAHGYJZOHEW-KBPBESRZSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001046991679 763525539 /nfs/dbraw/zinc/52/55/39/763525539.db2.gz KARMGVBAFYAUKJ-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001046991679 763525542 /nfs/dbraw/zinc/52/55/42/763525542.db2.gz KARMGVBAFYAUKJ-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001046992949 763528954 /nfs/dbraw/zinc/52/89/54/763528954.db2.gz HQJITVDOHBXMCH-NSHDSACASA-N 1 1 326.347 0.987 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)CCOCCNc1nccnc1C#N ZINC001127320515 768146118 /nfs/dbraw/zinc/14/61/18/768146118.db2.gz ZIFYSKZMMMJCAD-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)CC1 ZINC001052027530 763622787 /nfs/dbraw/zinc/62/27/87/763622787.db2.gz GYSWEAZHOYLZGJ-HZPDHXFCSA-N 1 1 341.459 0.681 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCc4cn[nH]c43)C2)CC1 ZINC001052028086 763623565 /nfs/dbraw/zinc/62/35/65/763623565.db2.gz NWEXNEYYRLNCEJ-HOTGVXAUSA-N 1 1 342.447 0.572 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052028570 763623967 /nfs/dbraw/zinc/62/39/67/763623967.db2.gz QVUWQDFDDVVMRU-HNNXBMFYSA-N 1 1 327.432 0.295 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(OC)ncn3)C2)CC1 ZINC001052028957 763625406 /nfs/dbraw/zinc/62/54/06/763625406.db2.gz VFWRAAKAVSQYSC-CQSZACIVSA-N 1 1 331.420 0.503 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052029924 763628277 /nfs/dbraw/zinc/62/82/77/763628277.db2.gz FIZAECYFJGNYFR-KZNAEPCWSA-N 1 1 332.492 0.568 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052029924 763628281 /nfs/dbraw/zinc/62/82/81/763628281.db2.gz FIZAECYFJGNYFR-KZNAEPCWSA-N 1 1 332.492 0.568 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052033746 763637370 /nfs/dbraw/zinc/63/73/70/763637370.db2.gz USOSJNHMGAJLQN-QGZVFWFLSA-N 1 1 331.464 0.676 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052033746 763637375 /nfs/dbraw/zinc/63/73/75/763637375.db2.gz USOSJNHMGAJLQN-QGZVFWFLSA-N 1 1 331.464 0.676 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036682 763650566 /nfs/dbraw/zinc/65/05/66/763650566.db2.gz SIKDOJCXANQRHY-ZWKOTPCHSA-N 1 1 332.492 0.568 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)n3cnc(C)c3)C2)CC1 ZINC001052040337 763661569 /nfs/dbraw/zinc/66/15/69/763661569.db2.gz CRSDVHLOVIMQIG-QGZVFWFLSA-N 1 1 343.475 0.778 20 30 ECEDMO CCc1c[nH]c(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052040451 763663026 /nfs/dbraw/zinc/66/30/26/763663026.db2.gz AOYNICCCJZWJTG-HNNXBMFYSA-N 1 1 330.436 0.257 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C(C)(C)C1 ZINC000941232203 763663127 /nfs/dbraw/zinc/66/31/27/763663127.db2.gz DUCGVKSYHCLAOF-DLBZAZTESA-N 1 1 333.476 0.947 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)C2)CC1 ZINC001052044987 763681122 /nfs/dbraw/zinc/68/11/22/763681122.db2.gz PGHLORXVKMKENT-WMZOPIPTSA-N 1 1 341.459 0.297 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C2)CC1 ZINC001052048919 763699237 /nfs/dbraw/zinc/69/92/37/763699237.db2.gz GOOMDAQCBPJBHF-AWEZNQCLSA-N 1 1 333.436 0.447 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc(OC)n3)C2)CC1 ZINC001052048958 763700257 /nfs/dbraw/zinc/70/02/57/763700257.db2.gz HMMLVAAWNJBCIW-CQSZACIVSA-N 1 1 331.420 0.503 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc(C)nn3C)C2)CC1 ZINC001052049442 763701164 /nfs/dbraw/zinc/70/11/64/763701164.db2.gz LWJHCXYQJMITFB-KRWDZBQOSA-N 1 1 343.475 0.513 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cccnc3OC)C2)C1=O ZINC001031948832 763737261 /nfs/dbraw/zinc/73/72/61/763737261.db2.gz PXOZMEKWMXSLTL-HNNXBMFYSA-N 1 1 344.415 0.539 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)cc(C)[nH]c3=O)C2)CC1 ZINC001052059942 763738545 /nfs/dbraw/zinc/73/85/45/763738545.db2.gz UCUABVDRONBKGY-INIZCTEOSA-N 1 1 342.443 0.869 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000995148835 763750346 /nfs/dbraw/zinc/75/03/46/763750346.db2.gz SEQXINFHENBYAM-INIZCTEOSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)CC1 ZINC001052068338 763761423 /nfs/dbraw/zinc/76/14/23/763761423.db2.gz GEIKLIPZGCSKLA-IRXDYDNUSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071771 763773860 /nfs/dbraw/zinc/77/38/60/763773860.db2.gz ZGQAXQUXPNRABE-BZSNNMDCSA-N 1 1 332.492 0.568 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052087228 763816793 /nfs/dbraw/zinc/81/67/93/763816793.db2.gz PQSBPDMUKXKYLQ-OAHLLOKOSA-N 1 1 335.839 0.388 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001052091379 763831459 /nfs/dbraw/zinc/83/14/59/763831459.db2.gz BJTCWLDRDWKAGJ-LJQANCHMSA-N 1 1 346.519 0.960 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ncccn3)C2)CC1 ZINC001052099441 763857123 /nfs/dbraw/zinc/85/71/23/763857123.db2.gz JNEJMXANQXXOFC-MRXNPFEDSA-N 1 1 327.432 0.261 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)CC1 ZINC001052101957 763865053 /nfs/dbraw/zinc/86/50/53/763865053.db2.gz BBNQPYFLNZWSRR-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(OC)nc3)C2)CC1 ZINC001052105786 763876965 /nfs/dbraw/zinc/87/69/65/763876965.db2.gz PEIUGJUCTDUQMS-OAHLLOKOSA-N 1 1 331.420 0.503 20 30 ECEDMO COc1cc[nH]c(=O)c1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052107910 763887807 /nfs/dbraw/zinc/88/78/07/763887807.db2.gz HSWXNCISFBHBKP-CYBMUJFWSA-N 1 1 345.403 0.151 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)CC1 ZINC001052109910 763898420 /nfs/dbraw/zinc/89/84/20/763898420.db2.gz JUVJACLUKINWFV-SJORKVTESA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)CC1 ZINC001052109910 763898431 /nfs/dbraw/zinc/89/84/31/763898431.db2.gz JUVJACLUKINWFV-SJORKVTESA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3Cc4cccnc4C3)C2)CC1 ZINC001052112773 763907410 /nfs/dbraw/zinc/90/74/10/763907410.db2.gz DAIHLSKDHZTNEJ-ROUUACIJSA-N 1 1 338.455 0.648 20 30 ECEDMO COc1cccc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052113526 763912679 /nfs/dbraw/zinc/91/26/79/763912679.db2.gz YAJWAETYNAANFE-KRWDZBQOSA-N 1 1 342.443 0.980 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncc4n3CCCC4)C2)CC1 ZINC001052119166 763934457 /nfs/dbraw/zinc/93/44/57/763934457.db2.gz LMSLGSUAQKGSES-KRWDZBQOSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001052119317 763936803 /nfs/dbraw/zinc/93/68/03/763936803.db2.gz OXAPRMGONNROOV-ZWKOTPCHSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123080 763948511 /nfs/dbraw/zinc/94/85/11/763948511.db2.gz BASYVVJCYSBCIV-NVXWUHKLSA-N 1 1 329.448 0.375 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3coc(COC)n3)C2)nn1 ZINC001098761430 763966182 /nfs/dbraw/zinc/96/61/82/763966182.db2.gz FFLGDRWBOMEQPX-CYBMUJFWSA-N 1 1 346.391 0.775 20 30 ECEDMO COCC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](COC)OC ZINC001099220075 768178816 /nfs/dbraw/zinc/17/88/16/768178816.db2.gz GXVAAEJFKJDYAN-JKSUJKDBSA-N 1 1 340.464 0.904 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](COC)OC ZINC001099220075 768178822 /nfs/dbraw/zinc/17/88/22/768178822.db2.gz GXVAAEJFKJDYAN-JKSUJKDBSA-N 1 1 340.464 0.904 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001031988107 763996143 /nfs/dbraw/zinc/99/61/43/763996143.db2.gz LNVUJGGRECHTAG-ZACQAIPSSA-N 1 1 347.459 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC001031988653 763998338 /nfs/dbraw/zinc/99/83/38/763998338.db2.gz INLSHJZQEMAMAQ-PMPSAXMXSA-N 1 1 335.448 0.635 20 30 ECEDMO C=CCCC(=O)N1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001052181506 764017888 /nfs/dbraw/zinc/01/78/88/764017888.db2.gz NBJBOOBVSCEAEN-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001052181504 764018131 /nfs/dbraw/zinc/01/81/31/764018131.db2.gz NBJBOOBVSCEAEN-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO Cc1nn(C)cc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047337421 764044364 /nfs/dbraw/zinc/04/43/64/764044364.db2.gz DHAHVFWCXZQSCB-HOTGVXAUSA-N 1 1 342.403 0.246 20 30 ECEDMO Cc1nn(C)cc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047337421 764044371 /nfs/dbraw/zinc/04/43/71/764044371.db2.gz DHAHVFWCXZQSCB-HOTGVXAUSA-N 1 1 342.403 0.246 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001052221868 764083457 /nfs/dbraw/zinc/08/34/57/764083457.db2.gz UYFNFOSEBNXDBQ-GJZGRUSLSA-N 1 1 325.453 0.742 20 30 ECEDMO CO[C@@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1)C1CCC1 ZINC001047353165 764087558 /nfs/dbraw/zinc/08/75/58/764087558.db2.gz BSGMDUWMUYXJDB-ULQDDVLXSA-N 1 1 346.431 0.819 20 30 ECEDMO Cc1ncccc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047354403 764092469 /nfs/dbraw/zinc/09/24/69/764092469.db2.gz VVNIRJVWTLUHRH-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1ncccc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047354403 764092475 /nfs/dbraw/zinc/09/24/75/764092475.db2.gz VVNIRJVWTLUHRH-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3nnc[nH]3)C2)nn1 ZINC001098762218 764132676 /nfs/dbraw/zinc/13/26/76/764132676.db2.gz LFKZCLVHHHWONG-CYBMUJFWSA-N 1 1 330.396 0.078 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001047383905 764179188 /nfs/dbraw/zinc/17/91/88/764179188.db2.gz LKIWMWGQQVOZOP-QZWWFDLISA-N 1 1 331.416 0.849 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001047383905 764179196 /nfs/dbraw/zinc/17/91/96/764179196.db2.gz LKIWMWGQQVOZOP-QZWWFDLISA-N 1 1 331.416 0.849 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnc(OC)n3)C2)C1=O ZINC001015223414 764180653 /nfs/dbraw/zinc/18/06/53/764180653.db2.gz DEHVQMFKGNLVKJ-TZMCWYRMSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccnc(OC)n3)C2)C1=O ZINC001015223414 764180658 /nfs/dbraw/zinc/18/06/58/764180658.db2.gz DEHVQMFKGNLVKJ-TZMCWYRMSA-N 1 1 345.403 0.076 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001106975782 764184259 /nfs/dbraw/zinc/18/42/59/764184259.db2.gz FXGUIDGLTSQWGD-GJZGRUSLSA-N 1 1 344.419 0.472 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047392555 764197175 /nfs/dbraw/zinc/19/71/75/764197175.db2.gz NQDBLPDXSJVDED-IKGGRYGDSA-N 1 1 349.475 0.715 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001047395370 764204917 /nfs/dbraw/zinc/20/49/17/764204917.db2.gz HISAEMLIKIBBOV-STQMWFEESA-N 1 1 328.363 0.819 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2C[NH+]([C@H](C)C(=O)N(C)C)C2)cc1 ZINC001032031028 764207321 /nfs/dbraw/zinc/20/73/21/764207321.db2.gz OPIUDKRVRLQMAD-CQSZACIVSA-N 1 1 343.427 0.837 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c3c(nn2C)CCCC3)C1 ZINC001047397291 764210909 /nfs/dbraw/zinc/21/09/09/764210909.db2.gz QORHRNIYGGYJFB-HOTGVXAUSA-N 1 1 330.432 0.439 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c3c(nn2C)CCCC3)C1 ZINC001047397291 764210913 /nfs/dbraw/zinc/21/09/13/764210913.db2.gz QORHRNIYGGYJFB-HOTGVXAUSA-N 1 1 330.432 0.439 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001032040727 764246502 /nfs/dbraw/zinc/24/65/02/764246502.db2.gz SGSBQQNNVWVMBP-LZWOXQAQSA-N 1 1 349.431 0.211 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001047407028 764248152 /nfs/dbraw/zinc/24/81/52/764248152.db2.gz BSEHOXVGIXHMFE-JQFCIGGWSA-N 1 1 328.416 0.108 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001047410345 764258704 /nfs/dbraw/zinc/25/87/04/764258704.db2.gz ICRUCSSMQAAPPO-IKGGRYGDSA-N 1 1 343.427 0.593 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001047412663 764265533 /nfs/dbraw/zinc/26/55/33/764265533.db2.gz DWQUJVIUVAKPKJ-KBPBESRZSA-N 1 1 330.388 0.962 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc3ncn(C)c32)C1 ZINC001047414408 764270888 /nfs/dbraw/zinc/27/08/88/764270888.db2.gz LCHHJOZPJKNDMJ-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC(F)F)n2)C1 ZINC001047418950 764285531 /nfs/dbraw/zinc/28/55/31/764285531.db2.gz BHJBGICPOIXJSQ-STQMWFEESA-N 1 1 326.347 0.289 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC(F)F)n2)C1 ZINC001047418950 764285539 /nfs/dbraw/zinc/28/55/39/764285539.db2.gz BHJBGICPOIXJSQ-STQMWFEESA-N 1 1 326.347 0.289 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)C1 ZINC001106068764 764296483 /nfs/dbraw/zinc/29/64/83/764296483.db2.gz HOOGMUTXTTVFKD-HIFRSBDPSA-N 1 1 346.435 0.359 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001047426815 764311836 /nfs/dbraw/zinc/31/18/36/764311836.db2.gz JLLLKXHFNRVFDS-QEJZJMRPSA-N 1 1 334.420 0.147 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001047426815 764311841 /nfs/dbraw/zinc/31/18/41/764311841.db2.gz JLLLKXHFNRVFDS-QEJZJMRPSA-N 1 1 334.420 0.147 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccccn3c2=O)C1 ZINC001047431903 764324235 /nfs/dbraw/zinc/32/42/35/764324235.db2.gz JXKNOEUXSFAMAX-GJZGRUSLSA-N 1 1 342.399 0.388 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001047433934 764334558 /nfs/dbraw/zinc/33/45/58/764334558.db2.gz ODLDNWSJSISLFV-GJZGRUSLSA-N 1 1 334.420 0.975 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3nonc3C)C2)nn1 ZINC001098763288 764343959 /nfs/dbraw/zinc/34/39/59/764343959.db2.gz XGBGICBNYRJEFO-ZDUSSCGKSA-N 1 1 331.380 0.261 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001047438432 764346272 /nfs/dbraw/zinc/34/62/72/764346272.db2.gz JGZSIUXNMOIGFF-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001047438432 764346274 /nfs/dbraw/zinc/34/62/74/764346274.db2.gz JGZSIUXNMOIGFF-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052379565 764369034 /nfs/dbraw/zinc/36/90/34/764369034.db2.gz PACXRIUAMAXRRA-CABCVRRESA-N 1 1 343.431 0.757 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2noc3ccccc32)C1 ZINC001047447540 764375162 /nfs/dbraw/zinc/37/51/62/764375162.db2.gz YDRWOHVMICRZFU-HOTGVXAUSA-N 1 1 327.384 0.897 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)CC1 ZINC001052412202 764433963 /nfs/dbraw/zinc/43/39/63/764433963.db2.gz RPMLZISUAPQVIW-AWEZNQCLSA-N 1 1 332.452 0.965 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnn(CC)c3C)C2)C1=O ZINC001032068957 764440546 /nfs/dbraw/zinc/44/05/46/764440546.db2.gz WESOAKAQMGFFNW-MRXNPFEDSA-N 1 1 345.447 0.660 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3onc(C)c32)C1 ZINC001047474647 764449662 /nfs/dbraw/zinc/44/96/62/764449662.db2.gz KPYYGTNKZNFAOR-GJZGRUSLSA-N 1 1 342.399 0.980 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001047478448 764461830 /nfs/dbraw/zinc/46/18/30/764461830.db2.gz VFFYILMWEZXJIM-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001047479074 764462720 /nfs/dbraw/zinc/46/27/20/764462720.db2.gz KAWNZHWSCUVZOG-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1CCOCC1 ZINC001089873322 764478957 /nfs/dbraw/zinc/47/89/57/764478957.db2.gz AHORNQXHOJYDPF-OKYOBFRVSA-N 1 1 345.487 0.901 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3nnnc3c2)C1 ZINC001047482866 764479050 /nfs/dbraw/zinc/47/90/50/764479050.db2.gz NIBQPXAWYMFLPQ-KBPBESRZSA-N 1 1 330.392 0.208 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001047483379 764480584 /nfs/dbraw/zinc/48/05/84/764480584.db2.gz ISHSUPLJQUANDF-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503519 764533962 /nfs/dbraw/zinc/53/39/62/764533962.db2.gz GHGYBUCTARHWFF-AGIUHOORSA-N 1 1 335.370 0.560 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503519 764533967 /nfs/dbraw/zinc/53/39/67/764533967.db2.gz GHGYBUCTARHWFF-AGIUHOORSA-N 1 1 335.370 0.560 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c[nH]nc3C3CC3)C2)C1=O ZINC001032097925 764550264 /nfs/dbraw/zinc/55/02/64/764550264.db2.gz QPBZLYDSYGUQAZ-HNNXBMFYSA-N 1 1 343.431 0.736 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+](CCn3nc(C)nc3C)C[C@@H]2O)C1 ZINC001047516824 764567675 /nfs/dbraw/zinc/56/76/75/764567675.db2.gz MUAQIFJWJIYVTI-HOTGVXAUSA-N 1 1 347.463 0.755 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@@H]2O)C1 ZINC001047516824 764567682 /nfs/dbraw/zinc/56/76/82/764567682.db2.gz MUAQIFJWJIYVTI-HOTGVXAUSA-N 1 1 347.463 0.755 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](O)C(C)C ZINC001099061162 764572305 /nfs/dbraw/zinc/57/23/05/764572305.db2.gz SRDOODDYVWEKMX-GDBMZVCRSA-N 1 1 337.464 0.360 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](O)C(C)C ZINC001099061162 764572309 /nfs/dbraw/zinc/57/23/09/764572309.db2.gz SRDOODDYVWEKMX-GDBMZVCRSA-N 1 1 337.464 0.360 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)c1 ZINC001047520862 764578437 /nfs/dbraw/zinc/57/84/37/764578437.db2.gz FOCNMGSPTPVORN-XIRDDKMYSA-N 1 1 329.400 0.217 20 30 ECEDMO CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528383 764602237 /nfs/dbraw/zinc/60/22/37/764602237.db2.gz PYWMTYLCPKXKQO-XIRDDKMYSA-N 1 1 330.432 0.281 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2)C1 ZINC001047548157 764658844 /nfs/dbraw/zinc/65/88/44/764658844.db2.gz UJFBLDPWHWIQGZ-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2)C1 ZINC001047548157 764658851 /nfs/dbraw/zinc/65/88/51/764658851.db2.gz UJFBLDPWHWIQGZ-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)[C@@H]1C ZINC001088969138 764659234 /nfs/dbraw/zinc/65/92/34/764659234.db2.gz IWQCJIBBNSRZIG-KGLIPLIRSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H]1C ZINC001088969138 764659242 /nfs/dbraw/zinc/65/92/42/764659242.db2.gz IWQCJIBBNSRZIG-KGLIPLIRSA-N 1 1 346.431 0.927 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)cc1 ZINC001047555686 764685633 /nfs/dbraw/zinc/68/56/33/764685633.db2.gz MMFDEXJVIUJJKI-COXVUDFISA-N 1 1 332.400 0.197 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(OC)nn1 ZINC001089886018 764698143 /nfs/dbraw/zinc/69/81/43/764698143.db2.gz LNOKANCAVCSTGQ-NHIYQJMISA-N 1 1 326.400 0.901 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1OC ZINC001212193229 764712369 /nfs/dbraw/zinc/71/23/69/764712369.db2.gz BNTZSNWVELLIFV-FMKPAKJESA-N 1 1 339.461 0.828 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1OC ZINC001212193229 764712376 /nfs/dbraw/zinc/71/23/76/764712376.db2.gz BNTZSNWVELLIFV-FMKPAKJESA-N 1 1 339.461 0.828 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)cn1 ZINC001088991088 764721576 /nfs/dbraw/zinc/72/15/76/764721576.db2.gz HNFDVBYWTZQXEK-CJNGLKHVSA-N 1 1 341.415 0.281 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2C)cn1 ZINC001088991006 764721765 /nfs/dbraw/zinc/72/17/65/764721765.db2.gz BZZQXIRFWDQPOQ-WBMJQRKESA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)cn1 ZINC001088991006 764721770 /nfs/dbraw/zinc/72/17/70/764721770.db2.gz BZZQXIRFWDQPOQ-WBMJQRKESA-N 1 1 326.400 0.534 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001052544788 764726478 /nfs/dbraw/zinc/72/64/78/764726478.db2.gz SRWSFQXAJNTLAR-HNNXBMFYSA-N 1 1 346.431 0.497 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)nnn3C)CC1 ZINC001052567546 764775446 /nfs/dbraw/zinc/77/54/46/764775446.db2.gz DOOSLUMYAPTJBF-AWEZNQCLSA-N 1 1 326.404 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nc(C)ccc1=O ZINC001089887866 764775838 /nfs/dbraw/zinc/77/58/38/764775838.db2.gz BDXQMKNBJWRFHZ-YVSFHVDLSA-N 1 1 340.427 0.354 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001032136210 764786592 /nfs/dbraw/zinc/78/65/92/764786592.db2.gz GDTFYHHBLYUMKJ-HNNXBMFYSA-N 1 1 342.399 0.034 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2C(F)F)C1 ZINC001047592025 764806073 /nfs/dbraw/zinc/80/60/73/764806073.db2.gz CHOXXGFCDOAJBE-RYUDHWBXSA-N 1 1 326.347 0.498 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2C(F)F)C1 ZINC001047592025 764806080 /nfs/dbraw/zinc/80/60/80/764806080.db2.gz CHOXXGFCDOAJBE-RYUDHWBXSA-N 1 1 326.347 0.498 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ccc(C)nc23)C1 ZINC001047599111 764837234 /nfs/dbraw/zinc/83/72/34/764837234.db2.gz IAGHKBOFSZHVKZ-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127334556 768247457 /nfs/dbraw/zinc/24/74/57/768247457.db2.gz HQSBWTIMCIRFDX-UHFFFAOYSA-N 1 1 334.424 0.575 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2-n2cnnn2)C1 ZINC001047624583 764913538 /nfs/dbraw/zinc/91/35/38/764913538.db2.gz UIBSKCJOOPMLCV-HOTGVXAUSA-N 1 1 342.403 0.356 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H](CC)C(N)=O)CC2)c1 ZINC001052697843 765004958 /nfs/dbraw/zinc/00/49/58/765004958.db2.gz BSGGQUQTARDUAK-HZPDHXFCSA-N 1 1 328.416 0.911 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000991981775 765048850 /nfs/dbraw/zinc/04/88/50/765048850.db2.gz SLCQULSZFKYKKH-ABIUDSBCSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ncccc3F)C2)C1=O ZINC001015615933 765070169 /nfs/dbraw/zinc/07/01/69/765070169.db2.gz NYSWDENUQMTNPJ-BBRMVZONSA-N 1 1 346.406 0.741 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ncccc3F)C2)C1=O ZINC001015615933 765070175 /nfs/dbraw/zinc/07/01/75/765070175.db2.gz NYSWDENUQMTNPJ-BBRMVZONSA-N 1 1 346.406 0.741 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001052760359 765074937 /nfs/dbraw/zinc/07/49/37/765074937.db2.gz CXEKWTNDSGZYOF-CYBMUJFWSA-N 1 1 334.420 0.244 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)nn1 ZINC001052777594 765103178 /nfs/dbraw/zinc/10/31/78/765103178.db2.gz DMTULJQDGZUJCV-KBPBESRZSA-N 1 1 348.451 0.573 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001052783173 765112413 /nfs/dbraw/zinc/11/24/13/765112413.db2.gz PHYKHCOMCKNZJK-GJZGRUSLSA-N 1 1 325.453 0.740 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CCC(=O)N1 ZINC001015663481 765138566 /nfs/dbraw/zinc/13/85/66/765138566.db2.gz SYFWSMHURFRPRG-QAPCUYQASA-N 1 1 326.400 0.917 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccncn3)CC2)C1=O ZINC001052804711 765154228 /nfs/dbraw/zinc/15/42/28/765154228.db2.gz AQYXDLODJVNQAR-ZBFHGGJFSA-N 1 1 343.431 0.848 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CCNC1=O ZINC001015694732 765174272 /nfs/dbraw/zinc/17/42/72/765174272.db2.gz BULMPRTXZIYGKF-MEDUHNTESA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CCNC1=O ZINC001015694732 765174277 /nfs/dbraw/zinc/17/42/77/765174277.db2.gz BULMPRTXZIYGKF-MEDUHNTESA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)CCNC1=O ZINC001015694994 765175156 /nfs/dbraw/zinc/17/51/56/765175156.db2.gz DPVQFBRVMHCUHQ-APWZRJJASA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CCNC1=O ZINC001015694994 765175159 /nfs/dbraw/zinc/17/51/59/765175159.db2.gz DPVQFBRVMHCUHQ-APWZRJJASA-N 1 1 325.412 0.755 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015711845 765213321 /nfs/dbraw/zinc/21/33/21/765213321.db2.gz RVGNGPZAGLJJLF-OAGGEKHMSA-N 1 1 329.375 0.489 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015711845 765213326 /nfs/dbraw/zinc/21/33/26/765213326.db2.gz RVGNGPZAGLJJLF-OAGGEKHMSA-N 1 1 329.375 0.489 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000992047092 765277130 /nfs/dbraw/zinc/27/71/30/765277130.db2.gz OSLJSPRMOOAOBA-MBHSVXNSSA-N 1 1 329.404 0.463 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCS(C)(=O)=O)CC2)cn1 ZINC001052877368 765282085 /nfs/dbraw/zinc/28/20/85/765282085.db2.gz KHHMWKWURVUFPD-INIZCTEOSA-N 1 1 349.456 0.692 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCS(C)(=O)=O)CC2)cn1 ZINC001052877368 765282095 /nfs/dbraw/zinc/28/20/95/765282095.db2.gz KHHMWKWURVUFPD-INIZCTEOSA-N 1 1 349.456 0.692 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H](CC)C(N)=O)CC2)cn1 ZINC001052878948 765285848 /nfs/dbraw/zinc/28/58/48/765285848.db2.gz MHWDNTUIRVGKCV-HZPDHXFCSA-N 1 1 328.416 0.911 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cn3nc4ccccn4c3=O)CCC[C@@H]12 ZINC000992053630 765300707 /nfs/dbraw/zinc/30/07/07/765300707.db2.gz WPGVSWQDZPOVPC-RDTXWAMCSA-N 1 1 339.399 0.242 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(CCC)c3)C2)C1=O ZINC001015779048 765304336 /nfs/dbraw/zinc/30/43/36/765304336.db2.gz ZNQGITGUSLCWJU-CVEARBPZSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(CCC)c3)C2)C1=O ZINC001015779048 765304340 /nfs/dbraw/zinc/30/43/40/765304340.db2.gz ZNQGITGUSLCWJU-CVEARBPZSA-N 1 1 345.447 0.884 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001052906183 765326216 /nfs/dbraw/zinc/32/62/16/765326216.db2.gz SNHANSOFDDKADG-CABCVRRESA-N 1 1 343.855 0.957 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)cc1 ZINC001015809767 765367664 /nfs/dbraw/zinc/36/76/64/765367664.db2.gz UMCFDTZPQAPUCX-WBVHZDCISA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)cc1 ZINC001015809767 765367667 /nfs/dbraw/zinc/36/76/67/765367667.db2.gz UMCFDTZPQAPUCX-WBVHZDCISA-N 1 1 341.411 0.781 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001015821309 765383241 /nfs/dbraw/zinc/38/32/41/765383241.db2.gz TUYXTVFZTVHMFT-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001015821309 765383255 /nfs/dbraw/zinc/38/32/55/765383255.db2.gz TUYXTVFZTVHMFT-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001052946571 765400843 /nfs/dbraw/zinc/40/08/43/765400843.db2.gz VYWMMSZIHOPUIH-ZIAGYGMSSA-N 1 1 329.466 0.615 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001052947419 765402909 /nfs/dbraw/zinc/40/29/09/765402909.db2.gz PFSGJGIVYLPLKK-LSDHHAIUSA-N 1 1 343.855 0.957 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001052978249 765445548 /nfs/dbraw/zinc/44/55/48/765445548.db2.gz WPLPSYZQNSIQDM-NWDGAFQWSA-N 1 1 327.812 0.762 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001052982829 765456134 /nfs/dbraw/zinc/45/61/34/765456134.db2.gz XQPNPGVXZLPMAJ-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001052982828 765456768 /nfs/dbraw/zinc/45/67/68/765456768.db2.gz XQPNPGVXZLPMAJ-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO Cc1c[nH]nc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052990296 765468662 /nfs/dbraw/zinc/46/86/62/765468662.db2.gz UFCOKHWGZGRTBM-IYBDPMFKSA-N 1 1 342.447 0.995 20 30 ECEDMO CN(CCOCCNc1cnc(C#N)cn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001127233360 765480024 /nfs/dbraw/zinc/48/00/24/765480024.db2.gz PTWGEHQJXPIOKL-CQSZACIVSA-N 1 1 332.408 0.329 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001053036006 765512184 /nfs/dbraw/zinc/51/21/84/765512184.db2.gz GURKNGCNOWYKCW-LSDHHAIUSA-N 1 1 328.416 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCn3cnnn3)C2)C1 ZINC001053047035 765524876 /nfs/dbraw/zinc/52/48/76/765524876.db2.gz OYKAUCWVJNTTSB-CVEARBPZSA-N 1 1 330.436 0.647 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001053093498 765568765 /nfs/dbraw/zinc/56/87/65/765568765.db2.gz NSVNMIBURDSDQU-IAGOWNOFSA-N 1 1 348.491 0.697 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1)[C@H]1CCNC1=O ZINC001089157565 765642290 /nfs/dbraw/zinc/64/22/90/765642290.db2.gz FEQLBYBLZJNVPE-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H](O)CNc2cc(CC)[nH+]c(C)n2)c1 ZINC001106099587 765696953 /nfs/dbraw/zinc/69/69/53/765696953.db2.gz DJBQAVZKIUSDDV-MRXNPFEDSA-N 1 1 339.399 0.927 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)cc1 ZINC000992160638 765717501 /nfs/dbraw/zinc/71/75/01/765717501.db2.gz OKNDWHMZODURAE-YJBOKZPZSA-N 1 1 342.399 0.687 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001016016477 765722938 /nfs/dbraw/zinc/72/29/38/765722938.db2.gz MGRNSYNAFLBQRF-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001016016477 765722943 /nfs/dbraw/zinc/72/29/43/765722943.db2.gz MGRNSYNAFLBQRF-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)nc1 ZINC001016027217 765731114 /nfs/dbraw/zinc/73/11/14/765731114.db2.gz NOKVVGTXAFYROH-HOTGVXAUSA-N 1 1 339.399 0.125 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C2)cn1 ZINC001016035484 765736610 /nfs/dbraw/zinc/73/66/10/765736610.db2.gz WCAYNIXNJIBUAB-DLBZAZTESA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C2)cn1 ZINC001016035484 765736618 /nfs/dbraw/zinc/73/66/18/765736618.db2.gz WCAYNIXNJIBUAB-DLBZAZTESA-N 1 1 340.427 0.876 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@H]12 ZINC000992172224 765767427 /nfs/dbraw/zinc/76/74/27/765767427.db2.gz OAEMVVYPTXBKMP-LDDOYCOJSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001016166279 765861362 /nfs/dbraw/zinc/86/13/62/765861362.db2.gz XBGSPMVFTUANKD-UONOGXRCSA-N 1 1 330.388 0.378 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001016166279 765861367 /nfs/dbraw/zinc/86/13/67/765861367.db2.gz XBGSPMVFTUANKD-UONOGXRCSA-N 1 1 330.388 0.378 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016183787 765880315 /nfs/dbraw/zinc/88/03/15/765880315.db2.gz GUUODQHZSRLKMX-OAHLLOKOSA-N 1 1 340.387 0.549 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016183787 765880321 /nfs/dbraw/zinc/88/03/21/765880321.db2.gz GUUODQHZSRLKMX-OAHLLOKOSA-N 1 1 340.387 0.549 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@]1(CC)CCNC1=O)CCO2 ZINC001053292188 765921981 /nfs/dbraw/zinc/92/19/81/765921981.db2.gz UETDPIRPZQWEJS-SFHVURJKSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCS(=O)(=O)C3)CCC[C@@H]12 ZINC000992258814 766080144 /nfs/dbraw/zinc/08/01/44/766080144.db2.gz BNBQYRXUYZHEJN-ZMSDIMECSA-N 1 1 338.473 0.948 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016304928 766080431 /nfs/dbraw/zinc/08/04/31/766080431.db2.gz ISUASOBBNOKPMD-STQMWFEESA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016304928 766080434 /nfs/dbraw/zinc/08/04/34/766080434.db2.gz ISUASOBBNOKPMD-STQMWFEESA-N 1 1 346.269 0.806 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(CC#Cc3ccccc3)C2)C1 ZINC001016307723 766088145 /nfs/dbraw/zinc/08/81/45/766088145.db2.gz VZXNYILDGCRGTC-RBUKOAKNSA-N 1 1 341.455 0.949 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(CC#Cc3ccccc3)C2)C1 ZINC001016307723 766088152 /nfs/dbraw/zinc/08/81/52/766088152.db2.gz VZXNYILDGCRGTC-RBUKOAKNSA-N 1 1 341.455 0.949 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CCO2 ZINC001053429393 766118478 /nfs/dbraw/zinc/11/84/78/766118478.db2.gz OLXYFCSJBNFZOO-CYBMUJFWSA-N 1 1 327.856 0.994 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)C(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992273419 766124539 /nfs/dbraw/zinc/12/45/39/766124539.db2.gz QJYCXRVDQSSBRK-SJKOYZFVSA-N 1 1 348.403 0.096 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNC(=O)CSCC#N)C1 ZINC001053436294 766129238 /nfs/dbraw/zinc/12/92/38/766129238.db2.gz HETNYDFKFLFLQI-UONOGXRCSA-N 1 1 340.493 0.796 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001016357149 766180609 /nfs/dbraw/zinc/18/06/09/766180609.db2.gz OKDCTKFRQCIZIU-WBVHZDCISA-N 1 1 343.427 0.873 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001016357149 766180611 /nfs/dbraw/zinc/18/06/11/766180611.db2.gz OKDCTKFRQCIZIU-WBVHZDCISA-N 1 1 343.427 0.873 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(=O)NC)CC3)nn1 ZINC000992313264 766239693 /nfs/dbraw/zinc/23/96/93/766239693.db2.gz CSIHYJMOYSBIGM-YOEHRIQHSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)NC)CC3)nn1 ZINC000992313264 766239695 /nfs/dbraw/zinc/23/96/95/766239695.db2.gz CSIHYJMOYSBIGM-YOEHRIQHSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)nn1 ZINC000992313254 766239810 /nfs/dbraw/zinc/23/98/10/766239810.db2.gz CSIHYJMOYSBIGM-PBHICJAKSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)nn1 ZINC000992313254 766239814 /nfs/dbraw/zinc/23/98/14/766239814.db2.gz CSIHYJMOYSBIGM-PBHICJAKSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@@H](C)C(=O)NC)CC3)nn1 ZINC000992312273 766242956 /nfs/dbraw/zinc/24/29/56/766242956.db2.gz ZWDKXLMOMOLTDT-JDFRZJQESA-N 1 1 346.435 0.325 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccnc2-n2cccn2)[C@@H](O)C1 ZINC001083688311 766249213 /nfs/dbraw/zinc/24/92/13/766249213.db2.gz LPIRZUCQZSVZBI-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001016414948 766256279 /nfs/dbraw/zinc/25/62/79/766256279.db2.gz VRUPBCJHACHZRT-LRVUVFPRSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992348887 766347452 /nfs/dbraw/zinc/34/74/52/766347452.db2.gz GDVOJNHVIAVHNS-GUYCJALGSA-N 1 1 330.388 0.485 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@@H]12 ZINC000992352811 766354392 /nfs/dbraw/zinc/35/43/92/766354392.db2.gz PUVQBOMIPOBJMN-CRAIPNDOSA-N 1 1 328.416 0.607 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001045777843 766358371 /nfs/dbraw/zinc/35/83/71/766358371.db2.gz PFDQESPCJCGCJG-PBHICJAKSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c(C)csc3n2)[C@@H](O)C1 ZINC001083691261 766361340 /nfs/dbraw/zinc/36/13/40/766361340.db2.gz HFTWEJCYRQHYQG-KGLIPLIRSA-N 1 1 334.445 0.984 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001045786104 766370547 /nfs/dbraw/zinc/37/05/47/766370547.db2.gz ZBIFQNAXWJVPLD-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001016522538 766427927 /nfs/dbraw/zinc/42/79/27/766427927.db2.gz JQZFKIHTIQFYEF-HSBZDZAISA-N 1 1 346.435 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2n[nH]cc2F)C1 ZINC000992383576 766446075 /nfs/dbraw/zinc/44/60/75/766446075.db2.gz RONQRNWYDFSMKL-YIZWMMSDSA-N 1 1 347.394 0.271 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2n[nH]cc2F)C1 ZINC000992383576 766446077 /nfs/dbraw/zinc/44/60/77/766446077.db2.gz RONQRNWYDFSMKL-YIZWMMSDSA-N 1 1 347.394 0.271 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)c1 ZINC000992393924 766467712 /nfs/dbraw/zinc/46/77/12/766467712.db2.gz VJXHOGGLMMFXCA-DLBZAZTESA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn(CCOC)n1)O2 ZINC001053631087 766478451 /nfs/dbraw/zinc/47/84/51/766478451.db2.gz QZMZLUCFHUULCA-HNNXBMFYSA-N 1 1 346.431 0.516 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)[C@@H](O)C1 ZINC001083694432 766485375 /nfs/dbraw/zinc/48/53/75/766485375.db2.gz ZNERSPKWNGLSPP-CABCVRRESA-N 1 1 327.388 0.823 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)[C@@H](O)C1 ZINC001083694432 766485380 /nfs/dbraw/zinc/48/53/80/766485380.db2.gz ZNERSPKWNGLSPP-CABCVRRESA-N 1 1 327.388 0.823 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001045939285 766510384 /nfs/dbraw/zinc/51/03/84/766510384.db2.gz AMKIPVBJOJUYLU-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001045939285 766510391 /nfs/dbraw/zinc/51/03/91/766510391.db2.gz AMKIPVBJOJUYLU-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1CCC3(CN(CC#N)C3)O1)C2 ZINC001053658060 766527354 /nfs/dbraw/zinc/52/73/54/766527354.db2.gz PTMCMDYKWWPVQA-ZBFHGGJFSA-N 1 1 343.431 0.627 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)ccc3=O)CCC[C@H]12 ZINC000992418551 766529661 /nfs/dbraw/zinc/52/96/61/766529661.db2.gz CVIJBLWRVDWFFP-MAUKXSAKSA-N 1 1 328.416 0.688 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC3(C[NH+](C[C@@H](C)O)C3)O2)c1 ZINC001053662746 766536062 /nfs/dbraw/zinc/53/60/62/766536062.db2.gz VHGKKIWLWBLZDX-CZUORRHYSA-N 1 1 329.400 0.407 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC3(C[NH+](C[C@H](C)O)C3)O2)c1 ZINC001053662744 766536101 /nfs/dbraw/zinc/53/61/01/766536101.db2.gz VHGKKIWLWBLZDX-BBRMVZONSA-N 1 1 329.400 0.407 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@@H]12 ZINC000992427556 766547323 /nfs/dbraw/zinc/54/73/23/766547323.db2.gz KUUHQDPPVLPWGV-CXAGYDPISA-N 1 1 340.387 0.168 20 30 ECEDMO Cn1nncc1C[NH+]1CCC2(C[C@@H]2NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001016588876 766548481 /nfs/dbraw/zinc/54/84/81/766548481.db2.gz SPHSXYDDJYBMPW-HNNXBMFYSA-N 1 1 339.403 0.799 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@@H]12 ZINC000992428764 766549710 /nfs/dbraw/zinc/54/97/10/766549710.db2.gz LVYMJAUIZDYHCI-CXAGYDPISA-N 1 1 342.403 0.721 20 30 ECEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](OC)C1 ZINC001212255184 766553837 /nfs/dbraw/zinc/55/38/37/766553837.db2.gz GNSZMJGGVUVTSU-UKRRQHHQSA-N 1 1 337.424 0.320 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1C(=O)CCC1=O)C2 ZINC001045983674 766554698 /nfs/dbraw/zinc/55/46/98/766554698.db2.gz RKDNFIPKFYWQTN-SFHVURJKSA-N 1 1 331.416 0.473 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)C3=COCCO3)CC2)C1 ZINC001046000700 766601025 /nfs/dbraw/zinc/60/10/25/766601025.db2.gz WJDFKIHHADWJTD-AWEZNQCLSA-N 1 1 341.839 0.846 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)C3=COCCO3)CC2)C1 ZINC001046000700 766601030 /nfs/dbraw/zinc/60/10/30/766601030.db2.gz WJDFKIHHADWJTD-AWEZNQCLSA-N 1 1 341.839 0.846 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12 ZINC000992454898 766612738 /nfs/dbraw/zinc/61/27/38/766612738.db2.gz LISINFQIENAQBT-PBHICJAKSA-N 1 1 331.420 0.027 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 ZINC001046006332 766614749 /nfs/dbraw/zinc/61/47/49/766614749.db2.gz JLKDKNYNYJYHRA-GJZGRUSLSA-N 1 1 343.855 0.373 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 ZINC001046006332 766614753 /nfs/dbraw/zinc/61/47/53/766614753.db2.gz JLKDKNYNYJYHRA-GJZGRUSLSA-N 1 1 343.855 0.373 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3c[nH]nc3C1)O2 ZINC001053700470 766619329 /nfs/dbraw/zinc/61/93/29/766619329.db2.gz VXJZKSRBPAXGJP-GDBMZVCRSA-N 1 1 342.443 0.888 20 30 ECEDMO C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)O2 ZINC001053700414 766619955 /nfs/dbraw/zinc/61/99/55/766619955.db2.gz UHCAPACFQUUKMS-HZPDHXFCSA-N 1 1 337.464 0.633 20 30 ECEDMO C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700414 766619957 /nfs/dbraw/zinc/61/99/57/766619957.db2.gz UHCAPACFQUUKMS-HZPDHXFCSA-N 1 1 337.464 0.633 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C(C)=O)CCO3)CCC[C@@H]12 ZINC000992458749 766624350 /nfs/dbraw/zinc/62/43/50/766624350.db2.gz USHNVCMEKVVDMS-JFIYKMOQSA-N 1 1 333.432 0.370 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@H]12 ZINC000992463579 766634738 /nfs/dbraw/zinc/63/47/38/766634738.db2.gz JXPYPPDHXNOBLJ-SUMWQHHRSA-N 1 1 332.404 0.017 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnn(C)c3)CC2)C1 ZINC001046012583 766639533 /nfs/dbraw/zinc/63/95/33/766639533.db2.gz QQLLDJNYKGYAKY-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO Cc1cnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046012804 766640940 /nfs/dbraw/zinc/64/09/40/766640940.db2.gz QEKNNKGKEUPYSO-ZFWWWQNUSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1cnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046012804 766640945 /nfs/dbraw/zinc/64/09/45/766640945.db2.gz QEKNNKGKEUPYSO-ZFWWWQNUSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1cnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046012802 766641419 /nfs/dbraw/zinc/64/14/19/766641419.db2.gz QEKNNKGKEUPYSO-UKRRQHHQSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1cnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046012802 766641423 /nfs/dbraw/zinc/64/14/23/766641423.db2.gz QEKNNKGKEUPYSO-UKRRQHHQSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)nn1C ZINC001046013464 766642217 /nfs/dbraw/zinc/64/22/17/766642217.db2.gz YWXKCEBULMHHKI-RHSMWYFYSA-N 1 1 344.463 0.607 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)nn1C ZINC001046013464 766642225 /nfs/dbraw/zinc/64/22/25/766642225.db2.gz YWXKCEBULMHHKI-RHSMWYFYSA-N 1 1 344.463 0.607 20 30 ECEDMO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001031709194 766662836 /nfs/dbraw/zinc/66/28/36/766662836.db2.gz LCVRXDCKQGXKKH-INIZCTEOSA-N 1 1 326.400 0.585 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 ZINC000992475089 766665077 /nfs/dbraw/zinc/66/50/77/766665077.db2.gz MWAXETDFAQNYBR-NHYWBVRUSA-N 1 1 340.811 0.404 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 ZINC000992475089 766665079 /nfs/dbraw/zinc/66/50/79/766665079.db2.gz MWAXETDFAQNYBR-NHYWBVRUSA-N 1 1 340.811 0.404 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)C1 ZINC001046022880 766670942 /nfs/dbraw/zinc/67/09/42/766670942.db2.gz WFYBOUYWZZPMTC-MRXNPFEDSA-N 1 1 328.416 0.643 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC001046023978 766674034 /nfs/dbraw/zinc/67/40/34/766674034.db2.gz AXGBEYZCSWZUSV-KRWDZBQOSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)CCn3ccnn3)CC2)C1 ZINC001046025083 766677380 /nfs/dbraw/zinc/67/73/80/766677380.db2.gz SXLRKJZKHTZFAB-KRWDZBQOSA-N 1 1 346.479 0.853 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc(C)[nH]3)CC2)C1 ZINC001046026080 766681164 /nfs/dbraw/zinc/68/11/64/766681164.db2.gz CDYMACPPVWBOSG-OAHLLOKOSA-N 1 1 332.452 0.450 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3CCC(O)CC3)CC2)C1 ZINC001046026614 766684559 /nfs/dbraw/zinc/68/45/59/766684559.db2.gz GCBBFQJXLQEMQN-LXPRWKDFSA-N 1 1 333.476 0.779 20 30 ECEDMO CN1C[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)CC1=O ZINC001031712180 766686317 /nfs/dbraw/zinc/68/63/17/766686317.db2.gz RMWOGXRBMMNHHO-KRWDZBQOSA-N 1 1 325.412 0.564 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@H]12 ZINC000992485552 766692754 /nfs/dbraw/zinc/69/27/54/766692754.db2.gz GDLLKKYQJCZBHR-SCLBCKFNSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC001046030459 766698585 /nfs/dbraw/zinc/69/85/85/766698585.db2.gz RPJSKGCHIGRMAN-OAHLLOKOSA-N 1 1 327.432 0.295 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC001046031830 766702628 /nfs/dbraw/zinc/70/26/28/766702628.db2.gz ACGUKXSMODKDLF-IAGOWNOFSA-N 1 1 346.475 0.095 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccncc2F)C1 ZINC000994752759 766704716 /nfs/dbraw/zinc/70/47/16/766704716.db2.gz VCXNZMPYTOLBNT-HNNXBMFYSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccncc2F)C1 ZINC000994752759 766704719 /nfs/dbraw/zinc/70/47/19/766704719.db2.gz VCXNZMPYTOLBNT-HNNXBMFYSA-N 1 1 330.363 0.259 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)nnc3C)CC2)C1 ZINC001046032328 766704976 /nfs/dbraw/zinc/70/49/76/766704976.db2.gz AUBSMBKEWJKAFF-KRWDZBQOSA-N 1 1 341.459 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cn3ccc(C)n3)CC2)C1 ZINC001046032736 766707462 /nfs/dbraw/zinc/70/74/62/766707462.db2.gz IIVFHMWFJIUKQZ-SJLPKXTDSA-N 1 1 343.475 0.679 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncc(CC)c2)C1 ZINC000994754938 766708494 /nfs/dbraw/zinc/70/84/94/766708494.db2.gz OWTAJWGBLOZSIA-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncc(CC)c2)C1 ZINC000994754938 766708504 /nfs/dbraw/zinc/70/85/04/766708504.db2.gz OWTAJWGBLOZSIA-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnn3C(C)C)CC2)C1 ZINC001046033506 766709810 /nfs/dbraw/zinc/70/98/10/766709810.db2.gz XBDCYNCSPRQDDR-INIZCTEOSA-N 1 1 329.448 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)n2cccc2)C1 ZINC000994753354 766709833 /nfs/dbraw/zinc/70/98/33/766709833.db2.gz ZEQLDZXVKPNVHX-HOCLYGCPSA-N 1 1 328.416 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)n2cccc2)C1 ZINC000994753354 766709836 /nfs/dbraw/zinc/70/98/36/766709836.db2.gz ZEQLDZXVKPNVHX-HOCLYGCPSA-N 1 1 328.416 0.474 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)[nH]nc3Cl)CC2)C1 ZINC001046034631 766714619 /nfs/dbraw/zinc/71/46/19/766714619.db2.gz WVFIUOHTLLAMBP-CYBMUJFWSA-N 1 1 335.839 0.837 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046034415 766715027 /nfs/dbraw/zinc/71/50/27/766715027.db2.gz VDFIHKLECLEKDU-IRXDYDNUSA-N 1 1 333.480 0.603 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)C2CCOCC2)C1 ZINC000994755323 766715625 /nfs/dbraw/zinc/71/56/25/766715625.db2.gz RCJHFEACPDCQFE-PBHICJAKSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)C2CCOCC2)C1 ZINC000994755323 766715628 /nfs/dbraw/zinc/71/56/28/766715628.db2.gz RCJHFEACPDCQFE-PBHICJAKSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC001046036146 766724530 /nfs/dbraw/zinc/72/45/30/766724530.db2.gz BFUPCLMBQWGPIB-APWZRJJASA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001046036488 766727484 /nfs/dbraw/zinc/72/74/84/766727484.db2.gz LRHMUBQXMZCBEC-MOPGFXCFSA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1 ZINC001046036844 766729620 /nfs/dbraw/zinc/72/96/20/766729620.db2.gz HNJKDTYEEQFOBR-BRWVUGGUSA-N 1 1 341.459 0.755 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046036844 766729626 /nfs/dbraw/zinc/72/96/26/766729626.db2.gz HNJKDTYEEQFOBR-BRWVUGGUSA-N 1 1 341.459 0.755 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046036844 766729632 /nfs/dbraw/zinc/72/96/32/766729632.db2.gz HNJKDTYEEQFOBR-BRWVUGGUSA-N 1 1 341.459 0.755 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046037034 766731175 /nfs/dbraw/zinc/73/11/75/766731175.db2.gz JSWKRTZMUSCWLC-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)COc3cc(C)on3)CC2)C1 ZINC001046037460 766734074 /nfs/dbraw/zinc/73/40/74/766734074.db2.gz PVRVBSXRWHOCKT-INIZCTEOSA-N 1 1 346.431 0.604 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046037939 766737202 /nfs/dbraw/zinc/73/72/02/766737202.db2.gz CJJVNJMYWWXLCW-VQIMIIECSA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)C1 ZINC001046039021 766741489 /nfs/dbraw/zinc/74/14/89/766741489.db2.gz MKQMAXSSNMNYNP-SJORKVTESA-N 1 1 343.475 0.850 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cccnc3)CC2)C1 ZINC001046041367 766751582 /nfs/dbraw/zinc/75/15/82/766751582.db2.gz HNYKCRFQGCHTNU-GOSISDBHSA-N 1 1 326.444 0.866 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC001046042048 766754941 /nfs/dbraw/zinc/75/49/41/766754941.db2.gz RCFDDFUZAHTODM-ROUUACIJSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC001046043188 766760910 /nfs/dbraw/zinc/76/09/10/766760910.db2.gz XXHZPRQSIDWPRV-CQSZACIVSA-N 1 1 327.432 0.364 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046044186 766766340 /nfs/dbraw/zinc/76/63/40/766766340.db2.gz JPWNKOHZOXUAIC-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC001046044403 766766677 /nfs/dbraw/zinc/76/66/77/766766677.db2.gz WAWGQXHJEGWDEI-KRWDZBQOSA-N 1 1 342.443 0.572 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)cc(=O)oc3C)CC2)C1 ZINC001046044719 766767606 /nfs/dbraw/zinc/76/76/06/766767606.db2.gz PVFVHASMNNYBRN-MRXNPFEDSA-N 1 1 343.427 0.722 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046048825 766781699 /nfs/dbraw/zinc/78/16/99/766781699.db2.gz DVDUGWNAMPJWCB-JKSUJKDBSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001046049158 766782672 /nfs/dbraw/zinc/78/26/72/766782672.db2.gz LDEOHOCEDBWINF-HUUCEWRRSA-N 1 1 336.480 0.552 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)C1 ZINC001046049717 766783829 /nfs/dbraw/zinc/78/38/29/766783829.db2.gz WJLFVBWRSPVFFE-QGZVFWFLSA-N 1 1 343.475 0.431 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001089647746 766808831 /nfs/dbraw/zinc/80/88/31/766808831.db2.gz ZWVDFDLLHLEEHY-AWEZNQCLSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001089647746 766808839 /nfs/dbraw/zinc/80/88/39/766808839.db2.gz ZWVDFDLLHLEEHY-AWEZNQCLSA-N 1 1 326.462 0.661 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(F)CCOC3)CC2)C1 ZINC001046056893 766813525 /nfs/dbraw/zinc/81/35/25/766813525.db2.gz VRHSLQNJDKFHBI-WBVHZDCISA-N 1 1 325.428 0.910 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC001046058381 766819165 /nfs/dbraw/zinc/81/91/65/766819165.db2.gz JEQDWYIXZQPKPH-MRXNPFEDSA-N 1 1 345.447 0.041 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@@H]3CC[N@H+]([C@@H](C)C(=O)NC)C3)CC2)C1 ZINC001046059447 766821930 /nfs/dbraw/zinc/82/19/30/766821930.db2.gz HGLHIUOXSRKLIP-JKSUJKDBSA-N 1 1 348.491 0.696 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046059761 766824298 /nfs/dbraw/zinc/82/42/98/766824298.db2.gz OHOILJNCKOUNDX-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@H]3CC[N@H+]([C@@H]4CCNC4=O)C3)CC2)C1 ZINC001046060119 766824543 /nfs/dbraw/zinc/82/45/43/766824543.db2.gz VNLGCVTXGBAUCK-JKSUJKDBSA-N 1 1 346.475 0.450 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC001046061621 766829571 /nfs/dbraw/zinc/82/95/71/766829571.db2.gz OJYTWGIRULDEDB-INIZCTEOSA-N 1 1 342.443 0.241 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1 ZINC001046062071 766831409 /nfs/dbraw/zinc/83/14/09/766831409.db2.gz ARXMDPMKXXEFFJ-GVDBMIGSSA-N 1 1 341.459 0.375 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC001046063925 766838870 /nfs/dbraw/zinc/83/88/70/766838870.db2.gz BXNKCXTWVRXBBB-OAGGEKHMSA-N 1 1 334.464 0.115 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC001046064242 766841809 /nfs/dbraw/zinc/84/18/09/766841809.db2.gz ILIYEYYHKYDTFR-KRWDZBQOSA-N 1 1 346.479 0.542 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC001046067189 766857689 /nfs/dbraw/zinc/85/76/89/766857689.db2.gz UIJKYZMPPWFAHG-OAHLLOKOSA-N 1 1 337.855 0.941 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)C1 ZINC001046069245 766867383 /nfs/dbraw/zinc/86/73/83/766867383.db2.gz DYCYJQKCUXRVCX-ZDUSSCGKSA-N 1 1 346.456 0.312 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4nncn4c3)CC2)C1 ZINC001046069825 766868766 /nfs/dbraw/zinc/86/87/66/766868766.db2.gz LMCYVWOYAJUWKF-MRXNPFEDSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 ZINC001046069550 766869597 /nfs/dbraw/zinc/86/95/97/766869597.db2.gz IEFGTJMHZDQGCJ-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 ZINC001046070056 766871015 /nfs/dbraw/zinc/87/10/15/766871015.db2.gz NXFZLVPHWWMFGG-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(N(C)C)cn1)CO2 ZINC001053801446 766885709 /nfs/dbraw/zinc/88/57/09/766885709.db2.gz NEAWQAKYUVBPML-CYBMUJFWSA-N 1 1 331.420 0.692 20 30 ECEDMO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2OC)cc1 ZINC001212268063 766892008 /nfs/dbraw/zinc/89/20/08/766892008.db2.gz OSXQVFNMBUSIHM-BMGDILEWSA-N 1 1 346.427 0.899 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CC4CC4)nn3)CC2)C1 ZINC001046075216 766895729 /nfs/dbraw/zinc/89/57/29/766895729.db2.gz PPOIEBHGDCYUIQ-MRXNPFEDSA-N 1 1 344.463 0.706 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC001046076253 766901974 /nfs/dbraw/zinc/90/19/74/766901974.db2.gz DITFGLVYLRKXOC-HKUYNNGSSA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3Cl)CC2)C1 ZINC001046076714 766905521 /nfs/dbraw/zinc/90/55/21/766905521.db2.gz IBZGFXKFJJYILG-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC001046077348 766907922 /nfs/dbraw/zinc/90/79/22/766907922.db2.gz MUMDLLQRUGIBAF-HOTGVXAUSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077348 766907925 /nfs/dbraw/zinc/90/79/25/766907925.db2.gz MUMDLLQRUGIBAF-HOTGVXAUSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077348 766907932 /nfs/dbraw/zinc/90/79/32/766907932.db2.gz MUMDLLQRUGIBAF-HOTGVXAUSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC001046080190 766915194 /nfs/dbraw/zinc/91/51/94/766915194.db2.gz BSZGCNLKLBKEOX-OAHLLOKOSA-N 1 1 345.447 0.284 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncnc3C3CC3)CC2)C1 ZINC001046080711 766917657 /nfs/dbraw/zinc/91/76/57/766917657.db2.gz JUHRTQRTGIMNQJ-MRXNPFEDSA-N 1 1 339.443 0.819 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC001046082595 766921714 /nfs/dbraw/zinc/92/17/14/766921714.db2.gz XZCANVLXIBPCSD-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC001046082393 766921776 /nfs/dbraw/zinc/92/17/76/766921776.db2.gz WHZNWMCZZDIMQQ-OAHLLOKOSA-N 1 1 347.463 0.837 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)C1 ZINC001046082771 766922306 /nfs/dbraw/zinc/92/23/06/766922306.db2.gz WLAZVSKBLWVTMZ-KRWDZBQOSA-N 1 1 343.475 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn(C)c3)CC2)C1 ZINC001046085051 766925921 /nfs/dbraw/zinc/92/59/21/766925921.db2.gz DLEBFGYPASZYTJ-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)N3CCCCC3=O)CC2)C1 ZINC001046084880 766926096 /nfs/dbraw/zinc/92/60/96/766926096.db2.gz BYBFLNQWRUOBBN-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCn3cc(C)cn3)CC2)C1 ZINC001046085426 766927895 /nfs/dbraw/zinc/92/78/95/766927895.db2.gz NQCSCRIADPWKIA-SFHVURJKSA-N 1 1 343.475 0.823 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CN(CC)CCO3)CC2)C1 ZINC001046087650 766930093 /nfs/dbraw/zinc/93/00/93/766930093.db2.gz YSUXPQLFJZUSOJ-IAGOWNOFSA-N 1 1 336.480 0.112 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1C[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC001031733180 766930786 /nfs/dbraw/zinc/93/07/86/766930786.db2.gz PKWSLGHLBOEVQJ-MRXNPFEDSA-N 1 1 330.432 0.957 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)CO2 ZINC001053820701 766934377 /nfs/dbraw/zinc/93/43/77/766934377.db2.gz JSQITBLMQIMFNT-ZIAGYGMSSA-N 1 1 349.431 0.450 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCC(=O)NC1)CO2 ZINC001053827154 766954693 /nfs/dbraw/zinc/95/46/93/766954693.db2.gz SNBZGMZXSRINSA-HUUCEWRRSA-N 1 1 335.448 0.828 20 30 ECEDMO N#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CO2 ZINC001053830170 766962348 /nfs/dbraw/zinc/96/23/48/766962348.db2.gz STQSAPFGAYJLHT-GDBMZVCRSA-N 1 1 332.448 0.876 20 30 ECEDMO N#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CO2 ZINC001053830171 766962531 /nfs/dbraw/zinc/96/25/31/766962531.db2.gz STQSAPFGAYJLHT-GOEBONIOSA-N 1 1 332.448 0.876 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3ncccc13)CO2 ZINC001053831267 766966263 /nfs/dbraw/zinc/96/62/63/766966263.db2.gz YJUALBWUAZSCTQ-CYBMUJFWSA-N 1 1 327.388 0.879 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3n1CCOC3)CO2 ZINC001053834899 766973983 /nfs/dbraw/zinc/97/39/83/766973983.db2.gz ZPVIXOIPXJYQIJ-CYBMUJFWSA-N 1 1 332.404 0.563 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(C)c(C)[nH]c1=O)CO2 ZINC001053843044 766996361 /nfs/dbraw/zinc/99/63/61/766996361.db2.gz CXBYJLQWAIFFHC-CYBMUJFWSA-N 1 1 332.404 0.536 20 30 ECEDMO C=C1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC000992611474 767017374 /nfs/dbraw/zinc/01/73/74/767017374.db2.gz WFYDCAZZPSHQRY-INIZCTEOSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC000992611474 767017379 /nfs/dbraw/zinc/01/73/79/767017379.db2.gz WFYDCAZZPSHQRY-INIZCTEOSA-N 1 1 335.448 0.781 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001042016952 782603988 /nfs/dbraw/zinc/60/39/88/782603988.db2.gz XJTWUSAEMPHRJH-BLLLJJGKSA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001042016952 782603993 /nfs/dbraw/zinc/60/39/93/782603993.db2.gz XJTWUSAEMPHRJH-BLLLJJGKSA-N 1 1 339.403 0.751 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(N)=O)cn1C)CO2 ZINC001053859003 767048836 /nfs/dbraw/zinc/04/88/36/767048836.db2.gz XKMBTHUJGALSQS-AWEZNQCLSA-N 1 1 346.431 0.663 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000994857800 767059900 /nfs/dbraw/zinc/05/99/00/767059900.db2.gz DFGAIXXMMSINLE-CMPLNLGQSA-N 1 1 328.380 0.098 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001046207126 767065863 /nfs/dbraw/zinc/06/58/63/767065863.db2.gz LFGHVQKJWYGJPY-CRAIPNDOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001046207126 767065866 /nfs/dbraw/zinc/06/58/66/767065866.db2.gz LFGHVQKJWYGJPY-CRAIPNDOSA-N 1 1 345.447 0.884 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001042015535 782602416 /nfs/dbraw/zinc/60/24/16/782602416.db2.gz JBBKPPMHYBFITB-DOMZBBRYSA-N 1 1 329.404 0.511 20 30 ECEDMO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001046220067 767088576 /nfs/dbraw/zinc/08/85/76/767088576.db2.gz HGZPWKXZGFROGD-RHSMWYFYSA-N 1 1 342.403 0.338 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046224456 767092716 /nfs/dbraw/zinc/09/27/16/767092716.db2.gz SKCKLURKXUMYBK-MAUKXSAKSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046224456 767092720 /nfs/dbraw/zinc/09/27/20/767092720.db2.gz SKCKLURKXUMYBK-MAUKXSAKSA-N 1 1 341.415 0.867 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)CO2 ZINC001053873166 767097545 /nfs/dbraw/zinc/09/75/45/767097545.db2.gz SURBYVGODLHNFF-HNNXBMFYSA-N 1 1 342.443 0.745 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001089700455 767101057 /nfs/dbraw/zinc/10/10/57/767101057.db2.gz CHGKTGLYZFTCSY-HUUCEWRRSA-N 1 1 344.463 0.866 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046252575 767110600 /nfs/dbraw/zinc/11/06/00/767110600.db2.gz CYNISUSRBRLIMG-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875568 767111863 /nfs/dbraw/zinc/11/18/63/767111863.db2.gz GECKDKIOQHFSEE-LPMVOBIJSA-N 1 1 347.459 0.385 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3coc(C)n3)C2)C1=O ZINC001046268853 767118272 /nfs/dbraw/zinc/11/82/72/767118272.db2.gz JVAOOWKEHTWKFI-YOEHRIQHSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3coc(C)n3)C2)C1=O ZINC001046268853 767118273 /nfs/dbraw/zinc/11/82/73/767118273.db2.gz JVAOOWKEHTWKFI-YOEHRIQHSA-N 1 1 332.404 0.964 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000938821739 767121473 /nfs/dbraw/zinc/12/14/73/767121473.db2.gz UNGSWFVDGHOJOI-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C2CCCC2)[C@@H](O)C1 ZINC001083765987 767132524 /nfs/dbraw/zinc/13/25/24/767132524.db2.gz GIQYTBBBIGXQOF-CVEARBPZSA-N 1 1 330.432 0.876 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001046312020 767141203 /nfs/dbraw/zinc/14/12/03/767141203.db2.gz OPJMWBSAWNFZMR-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001046312073 767141255 /nfs/dbraw/zinc/14/12/55/767141255.db2.gz PUVPVJCUDYSTIY-UHFFFAOYSA-N 1 1 335.448 0.517 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001127605237 767141629 /nfs/dbraw/zinc/14/16/29/767141629.db2.gz VPDNFEYLWWLKFS-CVEARBPZSA-N 1 1 333.436 0.875 20 30 ECEDMO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001089775207 767159328 /nfs/dbraw/zinc/15/93/28/767159328.db2.gz DIHLVALKJJQBBE-UMVBOHGHSA-N 1 1 346.435 0.398 20 30 ECEDMO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001089775207 767159330 /nfs/dbraw/zinc/15/93/30/767159330.db2.gz DIHLVALKJJQBBE-UMVBOHGHSA-N 1 1 346.435 0.398 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001031777213 767187157 /nfs/dbraw/zinc/18/71/57/767187157.db2.gz YRRXJTNOFFLWIH-JKSUJKDBSA-N 1 1 334.464 0.306 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001042019456 782610154 /nfs/dbraw/zinc/61/01/54/782610154.db2.gz RAQOWTWQNQOHFK-BLLLJJGKSA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001042019456 782610161 /nfs/dbraw/zinc/61/01/61/782610161.db2.gz RAQOWTWQNQOHFK-BLLLJJGKSA-N 1 1 339.403 0.751 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cncn3C)C2)C1=O ZINC001046454417 767236901 /nfs/dbraw/zinc/23/69/01/767236901.db2.gz IQUXLNZOJKUFCX-DYVFJYSZSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cncn3C)C2)C1=O ZINC001046454417 767236902 /nfs/dbraw/zinc/23/69/02/767236902.db2.gz IQUXLNZOJKUFCX-DYVFJYSZSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)CC[N@H+](C)CC)C2)CC1 ZINC001046525476 767279077 /nfs/dbraw/zinc/27/90/77/767279077.db2.gz KSCDLFPHTUCRPU-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046535299 767286106 /nfs/dbraw/zinc/28/61/06/767286106.db2.gz GHIAGDQPFVGTCY-KGLIPLIRSA-N 1 1 325.453 0.476 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046537677 767288254 /nfs/dbraw/zinc/28/82/54/767288254.db2.gz CJPHUVWRLMRPOU-BBRMVZONSA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046537677 767288258 /nfs/dbraw/zinc/28/82/58/767288258.db2.gz CJPHUVWRLMRPOU-BBRMVZONSA-N 1 1 332.429 0.836 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncnn1 ZINC001089818220 767292767 /nfs/dbraw/zinc/29/27/67/767292767.db2.gz WWLYATDHQUIOFW-FQUUOJAGSA-N 1 1 336.827 0.594 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089818597 767296285 /nfs/dbraw/zinc/29/62/85/767296285.db2.gz BCDXHPWQQJHPCA-YVSFHVDLSA-N 1 1 345.443 0.037 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cccnn2)C1 ZINC001016923286 767317763 /nfs/dbraw/zinc/31/77/63/767317763.db2.gz MAFCDNOOJXUIMW-XUJLQICISA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cccnn2)C1 ZINC001016923286 767317774 /nfs/dbraw/zinc/31/77/74/767317774.db2.gz MAFCDNOOJXUIMW-XUJLQICISA-N 1 1 341.415 0.293 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001016926633 767324974 /nfs/dbraw/zinc/32/49/74/767324974.db2.gz PJCMUEDBUHJEDP-CJNGLKHVSA-N 1 1 327.432 0.904 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001016926633 767324979 /nfs/dbraw/zinc/32/49/79/767324979.db2.gz PJCMUEDBUHJEDP-CJNGLKHVSA-N 1 1 327.432 0.904 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046588415 767339629 /nfs/dbraw/zinc/33/96/29/767339629.db2.gz QJOBCSNPOVCPJG-RHSMWYFYSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046588415 767339633 /nfs/dbraw/zinc/33/96/33/767339633.db2.gz QJOBCSNPOVCPJG-RHSMWYFYSA-N 1 1 345.378 0.459 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001106147116 767369075 /nfs/dbraw/zinc/36/90/75/767369075.db2.gz KNDHCGJJBVMLGF-GOEBONIOSA-N 1 1 331.420 0.139 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924396 767372496 /nfs/dbraw/zinc/37/24/96/767372496.db2.gz RTBKKXUGRJOAQW-HZPDHXFCSA-N 1 1 342.443 0.737 20 30 ECEDMO Cc1nsc(NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1C#N ZINC001106153137 767385731 /nfs/dbraw/zinc/38/57/31/767385731.db2.gz QUJSALOXTQSGQT-GRYCIOLGSA-N 1 1 337.449 0.552 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)nc(C)c1F ZINC001106154848 767391680 /nfs/dbraw/zinc/39/16/80/767391680.db2.gz PGKWUNVIIYRLAF-KGLIPLIRSA-N 1 1 349.410 0.219 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)nc(C)c1F ZINC001106154848 767391686 /nfs/dbraw/zinc/39/16/86/767391686.db2.gz PGKWUNVIIYRLAF-KGLIPLIRSA-N 1 1 349.410 0.219 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001078288894 782621099 /nfs/dbraw/zinc/62/10/99/782621099.db2.gz UWRKHKHANUAIEO-XJKSGUPXSA-N 1 1 328.416 0.782 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)C[N@H+](C)C2CCC2)ccc1C#N ZINC001106153840 767403493 /nfs/dbraw/zinc/40/34/93/767403493.db2.gz ARQLWIMIISKFIX-OAHLLOKOSA-N 1 1 331.420 0.635 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046651105 767418204 /nfs/dbraw/zinc/41/82/04/767418204.db2.gz RURFQCSMAFCDON-HZSPNIEDSA-N 1 1 328.420 0.561 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001046664288 767436422 /nfs/dbraw/zinc/43/64/22/767436422.db2.gz HDPWUWVPQJHHCJ-AWEZNQCLSA-N 1 1 335.448 0.210 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106169147 767477015 /nfs/dbraw/zinc/47/70/15/767477015.db2.gz AWHBUEAWVXBHRM-IAGOWNOFSA-N 1 1 345.447 0.963 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001106170933 767483057 /nfs/dbraw/zinc/48/30/57/767483057.db2.gz ZCHMAQWFCTYTQI-HUUCEWRRSA-N 1 1 346.435 0.358 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CCC1 ZINC001046691499 767490527 /nfs/dbraw/zinc/49/05/27/767490527.db2.gz JEIPZKGDGVGZNJ-HUUCEWRRSA-N 1 1 349.475 0.620 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3n[nH]nc3C1)CO2 ZINC001053981383 767522565 /nfs/dbraw/zinc/52/25/65/767522565.db2.gz JPCYYMPUZAIVBQ-UONOGXRCSA-N 1 1 345.447 0.835 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001017105938 767593393 /nfs/dbraw/zinc/59/33/93/767593393.db2.gz DARVPSYVBYIIQZ-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc(C(N)=O)cc1)CO2 ZINC001054021385 767615899 /nfs/dbraw/zinc/61/58/99/767615899.db2.gz LEMSXNLCHDNGOK-MRXNPFEDSA-N 1 1 343.427 0.864 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(OC)ncnc1OC)CO2 ZINC001054021800 767617345 /nfs/dbraw/zinc/61/73/45/767617345.db2.gz VCIUSLPGJMZOAX-GFCCVEGCSA-N 1 1 348.403 0.643 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001054058978 767656107 /nfs/dbraw/zinc/65/61/07/767656107.db2.gz CIDJEXSWEDBLBP-RTBURBONSA-N 1 1 341.455 0.883 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001054058978 767656111 /nfs/dbraw/zinc/65/61/11/767656111.db2.gz CIDJEXSWEDBLBP-RTBURBONSA-N 1 1 341.455 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)COC)C3)C1=O ZINC001054063121 767661085 /nfs/dbraw/zinc/66/10/85/767661085.db2.gz SXIASWVLZRBYFF-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1=O ZINC001017157335 767661816 /nfs/dbraw/zinc/66/18/16/767661816.db2.gz HNNAKMZUBNFMMH-DZGCQCFKSA-N 1 1 346.435 0.376 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001060476427 767687417 /nfs/dbraw/zinc/68/74/17/767687417.db2.gz MUBUPAYKVDDZGC-CKTDYHTKSA-N 1 1 326.404 0.097 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001060476494 767688897 /nfs/dbraw/zinc/68/88/97/767688897.db2.gz UKDFHHBXLRXFQP-VGBQHSPPSA-N 1 1 326.404 0.097 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001054102638 767690679 /nfs/dbraw/zinc/69/06/79/767690679.db2.gz PXCKXLXWBSPSDE-YOEHRIQHSA-N 1 1 333.436 0.486 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001054116101 767703505 /nfs/dbraw/zinc/70/35/05/767703505.db2.gz MPYBDWSKECNCHK-GOSISDBHSA-N 1 1 343.431 0.903 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@]2(CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001054130004 767723504 /nfs/dbraw/zinc/72/35/04/767723504.db2.gz GDZXNLVCCFYTRT-LJQANCHMSA-N 1 1 329.444 0.947 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)c1 ZINC001017209259 767724635 /nfs/dbraw/zinc/72/46/35/767724635.db2.gz ZTDMRLLQPKJGKI-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001054146629 767741369 /nfs/dbraw/zinc/74/13/69/767741369.db2.gz OKSZLKVDHZBKFA-GUYCJALGSA-N 1 1 334.420 0.475 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCOCC1=O)C2 ZINC001054146812 767741599 /nfs/dbraw/zinc/74/15/99/767741599.db2.gz RJVXVGPGOOLMHE-GOSISDBHSA-N 1 1 333.432 0.183 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(=O)n(C)cn1)C2 ZINC001054147397 767742489 /nfs/dbraw/zinc/74/24/89/767742489.db2.gz QFWZRJVBSXOTCB-GOSISDBHSA-N 1 1 328.416 0.732 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 ZINC001054150709 767747208 /nfs/dbraw/zinc/74/72/08/767747208.db2.gz QMGRAIWRJZEKCT-GOSISDBHSA-N 1 1 328.416 0.948 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 ZINC001054150710 767747823 /nfs/dbraw/zinc/74/78/23/767747823.db2.gz QMGRAIWRJZEKCT-SFHVURJKSA-N 1 1 328.416 0.948 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1=O ZINC001017233912 767749131 /nfs/dbraw/zinc/74/91/31/767749131.db2.gz ZGQYJMBGQZBFKI-UONOGXRCSA-N 1 1 346.435 0.376 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001054160608 767758285 /nfs/dbraw/zinc/75/82/85/767758285.db2.gz JMDCKSBHIKMLBM-GOSISDBHSA-N 1 1 344.415 0.287 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@]1(C)CCCS1(=O)=O)C2 ZINC001054213195 767811037 /nfs/dbraw/zinc/81/10/37/767811037.db2.gz VOOSQTBTUNZXRC-IRXDYDNUSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@]1(C)CCCS1(=O)=O)C2 ZINC001054213195 767811045 /nfs/dbraw/zinc/81/10/45/767811045.db2.gz VOOSQTBTUNZXRC-IRXDYDNUSA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780758 767816652 /nfs/dbraw/zinc/81/66/52/767816652.db2.gz ZEFCJGWYEALQTN-ZBFHGGJFSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2CCOC2)CC1 ZINC001017326132 767846854 /nfs/dbraw/zinc/84/68/54/767846854.db2.gz RGZSVSMXDFHTIN-SJORKVTESA-N 1 1 345.443 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2CCOC2)CC1 ZINC001017326132 767846861 /nfs/dbraw/zinc/84/68/61/767846861.db2.gz RGZSVSMXDFHTIN-SJORKVTESA-N 1 1 345.443 0.395 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001054237309 767846966 /nfs/dbraw/zinc/84/69/66/767846966.db2.gz WWKCGNWSWWIMDC-GOSISDBHSA-N 1 1 346.431 0.218 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCNC2=O)cc1 ZINC001017791889 768373803 /nfs/dbraw/zinc/37/38/03/768373803.db2.gz FNTHWROKTKZLIB-IXDOHACOSA-N 1 1 338.411 0.870 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCNC2=O)cc1 ZINC001017791889 768373810 /nfs/dbraw/zinc/37/38/10/768373810.db2.gz FNTHWROKTKZLIB-IXDOHACOSA-N 1 1 338.411 0.870 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127347863 768381154 /nfs/dbraw/zinc/38/11/54/768381154.db2.gz VFZBNJAPTVCZDP-UHFFFAOYSA-N 1 1 334.424 0.577 20 30 ECEDMO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C[C@H]1C ZINC001106621530 768520039 /nfs/dbraw/zinc/52/00/39/768520039.db2.gz PSLQMAHCWVDJQA-XPKDYRNWSA-N 1 1 333.436 0.327 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)C1 ZINC001055034258 768539269 /nfs/dbraw/zinc/53/92/69/768539269.db2.gz JOCRNRQMLREOBW-RZFFKMDDSA-N 1 1 326.404 0.526 20 30 ECEDMO C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106642705 768545977 /nfs/dbraw/zinc/54/59/77/768545977.db2.gz PMUBWULPIVQKHI-OUCADQQQSA-N 1 1 332.408 0.374 20 30 ECEDMO C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106642705 768545980 /nfs/dbraw/zinc/54/59/80/768545980.db2.gz PMUBWULPIVQKHI-OUCADQQQSA-N 1 1 332.408 0.374 20 30 ECEDMO C[C@H](CCNc1ccc(C#N)cn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106642897 768546890 /nfs/dbraw/zinc/54/68/90/768546890.db2.gz SLRAJKMESWPTRK-UMVBOHGHSA-N 1 1 331.420 0.979 20 30 ECEDMO C[C@H](CCNc1ccc(C#N)cn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106642897 768546896 /nfs/dbraw/zinc/54/68/96/768546896.db2.gz SLRAJKMESWPTRK-UMVBOHGHSA-N 1 1 331.420 0.979 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)C1 ZINC001055064212 768552493 /nfs/dbraw/zinc/55/24/93/768552493.db2.gz LKOLAJMVXKBQID-KBXIAJHMSA-N 1 1 340.431 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)[C@H](C)COC)C[C@H]2C1 ZINC001055247438 768705171 /nfs/dbraw/zinc/70/51/71/768705171.db2.gz UAWDHMLMXQDTGS-NCOADZHNSA-N 1 1 347.459 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)[C@H](C)COC)C[C@H]2C1 ZINC001055247438 768705177 /nfs/dbraw/zinc/70/51/77/768705177.db2.gz UAWDHMLMXQDTGS-NCOADZHNSA-N 1 1 347.459 0.283 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268663 768725425 /nfs/dbraw/zinc/72/54/25/768725425.db2.gz OQCKMTMPSORUTK-NCOADZHNSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268663 768725428 /nfs/dbraw/zinc/72/54/28/768725428.db2.gz OQCKMTMPSORUTK-NCOADZHNSA-N 1 1 349.475 0.836 20 30 ECEDMO C#CCCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055269101 768726053 /nfs/dbraw/zinc/72/60/53/768726053.db2.gz AXLLFFKQTGONFX-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055269101 768726056 /nfs/dbraw/zinc/72/60/56/768726056.db2.gz AXLLFFKQTGONFX-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N ZINC001055294961 768749041 /nfs/dbraw/zinc/74/90/41/768749041.db2.gz QOSNHZQELMCHQI-UXOAXIEHSA-N 1 1 326.404 0.668 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)C1 ZINC001055296490 768751229 /nfs/dbraw/zinc/75/12/29/768751229.db2.gz RXSCZPANIPWDLR-JHNDHUHGSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)C1 ZINC001055296490 768751233 /nfs/dbraw/zinc/75/12/33/768751233.db2.gz RXSCZPANIPWDLR-JHNDHUHGSA-N 1 1 341.415 0.510 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001055339876 768796852 /nfs/dbraw/zinc/79/68/52/768796852.db2.gz LPLRJMCKKLLFSO-KFWWJZLASA-N 1 1 337.387 0.779 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993344761 768818154 /nfs/dbraw/zinc/81/81/54/768818154.db2.gz DGWHHDCRBWJQLF-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055379518 768836146 /nfs/dbraw/zinc/83/61/46/768836146.db2.gz GBHJMAANVBOMPU-LUKYLMHMSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001055398103 768858113 /nfs/dbraw/zinc/85/81/13/768858113.db2.gz IPRRCKCPOFGDER-CALCHBBNSA-N 1 1 349.475 0.982 20 30 ECEDMO C#CCN1CC[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]21 ZINC001042065426 782706480 /nfs/dbraw/zinc/70/64/80/782706480.db2.gz STUQSBQJNBRJCL-NVXWUHKLSA-N 1 1 329.448 0.614 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(C)(F)F)CC1 ZINC001055494633 768938914 /nfs/dbraw/zinc/93/89/14/768938914.db2.gz REKFGYCRLXJGEA-LBPRGKRZSA-N 1 1 345.390 0.377 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1C#N)C2 ZINC001055509581 768972981 /nfs/dbraw/zinc/97/29/81/768972981.db2.gz LOEWYWJGHHSUJO-JOQOYGCGSA-N 1 1 340.431 0.918 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(C#N)n1)C2 ZINC001055509454 768973568 /nfs/dbraw/zinc/97/35/68/768973568.db2.gz JJICBYXBEHJSMX-DEYYWGMASA-N 1 1 340.431 0.918 20 30 ECEDMO Cc1cc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)no1 ZINC001055512378 768981475 /nfs/dbraw/zinc/98/14/75/768981475.db2.gz OTDZFXGWOGVGMS-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCCN1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055546096 769082309 /nfs/dbraw/zinc/08/23/09/769082309.db2.gz XQYQCCCWEJQNLD-KRWDZBQOSA-N 1 1 346.475 0.191 20 30 ECEDMO Cc1cc(CC(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)n[nH]1 ZINC001055557696 769109548 /nfs/dbraw/zinc/10/95/48/769109548.db2.gz LQUBTEOBLLTRFU-GFCCVEGCSA-N 1 1 346.435 0.117 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cn[nH]c3)C2)CC1 ZINC001018358762 769186840 /nfs/dbraw/zinc/18/68/40/769186840.db2.gz VBEKTJCYTIAMSU-HNNXBMFYSA-N 1 1 343.431 0.429 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000993515857 769212172 /nfs/dbraw/zinc/21/21/72/769212172.db2.gz CKROQCXEECJWIL-CMPLNLGQSA-N 1 1 327.406 0.696 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000993518901 769216511 /nfs/dbraw/zinc/21/65/11/769216511.db2.gz JIHLMMRVZKXHJX-YPMHNXCESA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000993518901 769216513 /nfs/dbraw/zinc/21/65/13/769216513.db2.gz JIHLMMRVZKXHJX-YPMHNXCESA-N 1 1 339.417 0.533 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3ccc(OC)nn32)[C@@H]1C ZINC000993522688 769221444 /nfs/dbraw/zinc/22/14/44/769221444.db2.gz QDTGLKIXBYVSIU-QWHCGFSZSA-N 1 1 327.388 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3ccc(OC)nn32)[C@@H]1C ZINC000993522688 769221451 /nfs/dbraw/zinc/22/14/51/769221451.db2.gz QDTGLKIXBYVSIU-QWHCGFSZSA-N 1 1 327.388 0.954 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2csnn2)CC1 ZINC001055601783 769231085 /nfs/dbraw/zinc/23/10/85/769231085.db2.gz BSMSCTVSFYROSE-SNVBAGLBSA-N 1 1 336.421 0.008 20 30 ECEDMO Cc1nc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)c(C)o1 ZINC001055623323 769283094 /nfs/dbraw/zinc/28/30/94/769283094.db2.gz CIBGKGUJYHNNFN-NSHDSACASA-N 1 1 347.419 0.762 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC000993584567 769301693 /nfs/dbraw/zinc/30/16/93/769301693.db2.gz AILUKQQZUFEBSW-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO CCc1cc(C(=O)NC2CC[NH+](CCNC(=O)[C@@H](C)C#N)CC2)no1 ZINC001055631721 769304240 /nfs/dbraw/zinc/30/42/40/769304240.db2.gz KCSHXVJHIQOIQN-LBPRGKRZSA-N 1 1 347.419 0.707 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@@H]21 ZINC001042088733 782742003 /nfs/dbraw/zinc/74/20/03/782742003.db2.gz AGPAJTIBKYYQEM-OCCSQVGLSA-N 1 1 339.399 0.844 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC000993669830 769456637 /nfs/dbraw/zinc/45/66/37/769456637.db2.gz KVGDCQHMQBFXJM-PWSUYJOCSA-N 1 1 330.396 0.463 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC000993673172 769462603 /nfs/dbraw/zinc/46/26/03/769462603.db2.gz OQGWUVAZYFALBE-DGCLKSJQSA-N 1 1 344.423 0.853 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H]1C ZINC000993771467 769593618 /nfs/dbraw/zinc/59/36/18/769593618.db2.gz LYAGRSDXWBESDW-ZYHUDNBSSA-N 1 1 341.437 0.216 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2noc3c2COCC3)C1 ZINC001078358697 782769364 /nfs/dbraw/zinc/76/93/64/782769364.db2.gz UMPPQYBRLWQZKY-CHWSQXEVSA-N 1 1 348.403 0.614 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001055824662 769863184 /nfs/dbraw/zinc/86/31/84/769863184.db2.gz YIIWAKYLFJSDAK-YJBOKZPZSA-N 1 1 337.464 0.764 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)c(C)n3)CC2)C1 ZINC001055824675 769863213 /nfs/dbraw/zinc/86/32/13/769863213.db2.gz AUYNYFJATRLLPH-INIZCTEOSA-N 1 1 343.431 0.631 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)c(C)n3)CC2)C1 ZINC001055824675 769863225 /nfs/dbraw/zinc/86/32/25/769863225.db2.gz AUYNYFJATRLLPH-INIZCTEOSA-N 1 1 343.431 0.631 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cc(C)ncc3C#N)CC2)C1 ZINC001055824939 769864928 /nfs/dbraw/zinc/86/49/28/769864928.db2.gz ONGOTIVHLFMEGA-KRWDZBQOSA-N 1 1 343.431 0.631 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3cc(C)ncc3C#N)CC2)C1 ZINC001055824939 769864946 /nfs/dbraw/zinc/86/49/46/769864946.db2.gz ONGOTIVHLFMEGA-KRWDZBQOSA-N 1 1 343.431 0.631 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001055825581 769867297 /nfs/dbraw/zinc/86/72/97/769867297.db2.gz KRPUODCALOFSMK-KRWDZBQOSA-N 1 1 325.453 0.763 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CCC=C)C1 ZINC001055825847 769868970 /nfs/dbraw/zinc/86/89/70/769868970.db2.gz QVABBVMJCHVCKO-LPHOPBHVSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CCC=C)C1 ZINC001055825847 769868983 /nfs/dbraw/zinc/86/89/83/769868983.db2.gz QVABBVMJCHVCKO-LPHOPBHVSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001042113307 782794291 /nfs/dbraw/zinc/79/42/91/782794291.db2.gz XWJMRXIAGOTXAJ-GJZGRUSLSA-N 1 1 328.416 0.946 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@H]1C ZINC000994092857 770124627 /nfs/dbraw/zinc/12/46/27/770124627.db2.gz NGJXHGXTUPYZKS-TZMCWYRMSA-N 1 1 332.404 0.731 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055911363 770182738 /nfs/dbraw/zinc/18/27/38/770182738.db2.gz ZDESVFFQJZXXNW-MDZRGWNJSA-N 1 1 349.475 0.600 20 30 ECEDMO N#Cc1nccnc1N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001055912892 770191361 /nfs/dbraw/zinc/19/13/61/770191361.db2.gz UKRPXLWRBQHRRB-CABCVRRESA-N 1 1 340.431 0.871 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001018899316 770236517 /nfs/dbraw/zinc/23/65/17/770236517.db2.gz PJBFIFXADULVLF-MAUKXSAKSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001018899316 770236522 /nfs/dbraw/zinc/23/65/22/770236522.db2.gz PJBFIFXADULVLF-MAUKXSAKSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H]1C ZINC000994179222 770265234 /nfs/dbraw/zinc/26/52/34/770265234.db2.gz OLBAIDWANZRRCG-GJZGRUSLSA-N 1 1 347.463 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@@H]1C ZINC000994186765 770274397 /nfs/dbraw/zinc/27/43/97/770274397.db2.gz FZTMUNOBARESKL-ZFWWWQNUSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@@H]1C ZINC000994186765 770274402 /nfs/dbraw/zinc/27/44/02/770274402.db2.gz FZTMUNOBARESKL-ZFWWWQNUSA-N 1 1 331.420 0.846 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055941197 770302254 /nfs/dbraw/zinc/30/22/54/770302254.db2.gz SDVLDAUCNNCKTO-SFHVURJKSA-N 1 1 335.448 0.210 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055941194 770302669 /nfs/dbraw/zinc/30/26/69/770302669.db2.gz SDVLDAUCNNCKTO-GOSISDBHSA-N 1 1 335.448 0.210 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C ZINC000994212611 770317802 /nfs/dbraw/zinc/31/78/02/770317802.db2.gz QFIAJAZRJORFPA-NWDGAFQWSA-N 1 1 330.392 0.576 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@@H]21 ZINC001042132051 782826228 /nfs/dbraw/zinc/82/62/28/782826228.db2.gz CNKXHLZIZIYKFT-RYUDHWBXSA-N 1 1 337.401 0.097 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](CC(C)C)C(N)=O)C2)nn1 ZINC001098797301 770405799 /nfs/dbraw/zinc/40/57/99/770405799.db2.gz QOGHTDAAKDCZRP-HUUCEWRRSA-N 1 1 348.451 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nc(C(C)C)no2)C1 ZINC001018985762 770484269 /nfs/dbraw/zinc/48/42/69/770484269.db2.gz DEDIHCFXXMPYCR-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nc(C(C)C)no2)C1 ZINC001018985762 770484275 /nfs/dbraw/zinc/48/42/75/770484275.db2.gz DEDIHCFXXMPYCR-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3OCC(N)=O)C[C@H]21 ZINC001042140830 782841881 /nfs/dbraw/zinc/84/18/81/782841881.db2.gz BEDWNFKCTOFWEL-GDBMZVCRSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3OCC(N)=O)C[C@@H]21 ZINC001042140832 782842731 /nfs/dbraw/zinc/84/27/31/782842731.db2.gz BEDWNFKCTOFWEL-HOCLYGCPSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]21 ZINC001042141957 782843658 /nfs/dbraw/zinc/84/36/58/782843658.db2.gz ITZOIYGERWKLOM-NVXWUHKLSA-N 1 1 344.459 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]21 ZINC001042141957 782843665 /nfs/dbraw/zinc/84/36/65/782843665.db2.gz ITZOIYGERWKLOM-NVXWUHKLSA-N 1 1 344.459 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@H]21 ZINC001042143336 782845163 /nfs/dbraw/zinc/84/51/63/782845163.db2.gz WWVWIAXWOQVRCC-RHSMWYFYSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001056124649 770884116 /nfs/dbraw/zinc/88/41/16/770884116.db2.gz ZZTINEILFHZIBV-SFHVURJKSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2nc(C)sc2C)C1 ZINC000994502605 770911374 /nfs/dbraw/zinc/91/13/74/770911374.db2.gz NYHKIGGMQGODNA-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2nc(C)sc2C)C1 ZINC000994502605 770911379 /nfs/dbraw/zinc/91/13/79/770911379.db2.gz NYHKIGGMQGODNA-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cc[nH]n1)C2 ZINC001019142857 770914230 /nfs/dbraw/zinc/91/42/30/770914230.db2.gz CAUYGPQKMNJREJ-HNNXBMFYSA-N 1 1 341.415 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cc[nH]n1)C2 ZINC001019142857 770914237 /nfs/dbraw/zinc/91/42/37/770914237.db2.gz CAUYGPQKMNJREJ-HNNXBMFYSA-N 1 1 341.415 0.182 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ccn[nH]1)C2 ZINC001019142857 770914242 /nfs/dbraw/zinc/91/42/42/770914242.db2.gz CAUYGPQKMNJREJ-HNNXBMFYSA-N 1 1 341.415 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ccn[nH]1)C2 ZINC001019142857 770914246 /nfs/dbraw/zinc/91/42/46/770914246.db2.gz CAUYGPQKMNJREJ-HNNXBMFYSA-N 1 1 341.415 0.182 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)OC)C2 ZINC001019142854 770914250 /nfs/dbraw/zinc/91/42/50/770914250.db2.gz BYTKLFPUYZLTGF-GJZGRUSLSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)OC)C2 ZINC001019142854 770914255 /nfs/dbraw/zinc/91/42/55/770914255.db2.gz BYTKLFPUYZLTGF-GJZGRUSLSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C1CCC1)C2 ZINC001019143153 770914949 /nfs/dbraw/zinc/91/49/49/770914949.db2.gz JHPKDBQKZKBQEK-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C1CCC1)C2 ZINC001019143153 770914957 /nfs/dbraw/zinc/91/49/57/770914957.db2.gz JHPKDBQKZKBQEK-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)c(C#N)cn1 ZINC001056150948 770940037 /nfs/dbraw/zinc/94/00/37/770940037.db2.gz ZSFNDGOMLDPKPW-DLTWYDFYSA-N 1 1 325.416 0.907 20 30 ECEDMO CN1C[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)NC1=O ZINC001019239220 771044009 /nfs/dbraw/zinc/04/40/09/771044009.db2.gz JJDNEAOUFMHBLO-GJZGRUSLSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001056254147 771046752 /nfs/dbraw/zinc/04/67/52/771046752.db2.gz OZKXCVMXYPPUAV-BWUSGFMJSA-N 1 1 325.416 0.846 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001019254140 771065944 /nfs/dbraw/zinc/06/59/44/771065944.db2.gz ASZKLXUGFIMSJA-AWEZNQCLSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001019254140 771065951 /nfs/dbraw/zinc/06/59/51/771065951.db2.gz ASZKLXUGFIMSJA-AWEZNQCLSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC001019290985 771109859 /nfs/dbraw/zinc/10/98/59/771109859.db2.gz FUVONZNSGQDFRI-JYJNAYRXSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC001019290985 771109862 /nfs/dbraw/zinc/10/98/62/771109862.db2.gz FUVONZNSGQDFRI-JYJNAYRXSA-N 1 1 329.444 0.801 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001019300680 771125129 /nfs/dbraw/zinc/12/51/29/771125129.db2.gz OGTFZQIWINGADL-AWEZNQCLSA-N 1 1 341.346 0.785 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3C(N)=O)C[C@H]21 ZINC001042179438 782897401 /nfs/dbraw/zinc/89/74/01/782897401.db2.gz LZSHUWZDLDAEFG-WMLDXEAASA-N 1 1 325.412 0.884 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)C1 ZINC001056404412 771232517 /nfs/dbraw/zinc/23/25/17/771232517.db2.gz YLTWGCQSUKKYHZ-LAQFHYBYSA-N 1 1 340.431 0.631 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3(n4cnnn4)CCCCC3)C[C@H]21 ZINC001042185801 782906710 /nfs/dbraw/zinc/90/67/10/782906710.db2.gz XRZQSHVZVNTMEU-JKSUJKDBSA-N 1 1 342.447 0.889 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001019390940 771240845 /nfs/dbraw/zinc/24/08/45/771240845.db2.gz HGHSUZIOZHODQQ-MAUKXSAKSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001019390940 771240848 /nfs/dbraw/zinc/24/08/48/771240848.db2.gz HGHSUZIOZHODQQ-MAUKXSAKSA-N 1 1 349.475 0.980 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1 ZINC001056410193 771241811 /nfs/dbraw/zinc/24/18/11/771241811.db2.gz GPXCYVPGYKVLAW-HVOFVXBASA-N 1 1 326.404 0.241 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001056451328 771281915 /nfs/dbraw/zinc/28/19/15/771281915.db2.gz PUIWJZWWZRKZNV-QSJFSLAZSA-N 1 1 340.431 0.773 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC001019443052 771293792 /nfs/dbraw/zinc/29/37/92/771293792.db2.gz GFHCAGWUKIERIG-HOCLYGCPSA-N 1 1 329.444 0.658 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC(C)(C)C1 ZINC001089490967 771325239 /nfs/dbraw/zinc/32/52/39/771325239.db2.gz GPUIRUCATWWFIP-OAGGEKHMSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccncc3F)C2)C1=O ZINC001031592641 771358609 /nfs/dbraw/zinc/35/86/09/771358609.db2.gz WMVMCISRIJMQNJ-HNNXBMFYSA-N 1 1 332.379 0.669 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212241121 771361610 /nfs/dbraw/zinc/36/16/10/771361610.db2.gz LVIUKCZGIMNCIC-ARFHVFGLSA-N 1 1 335.448 0.378 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(CC#Cc3ccc(F)cc3)C2)C1 ZINC001031594884 771368791 /nfs/dbraw/zinc/36/87/91/771368791.db2.gz LTLGHVYIHQSDMI-SFHVURJKSA-N 1 1 345.418 0.556 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(CC#Cc3ccc(F)cc3)C2)C1 ZINC001031594884 771368796 /nfs/dbraw/zinc/36/87/96/771368796.db2.gz LTLGHVYIHQSDMI-SFHVURJKSA-N 1 1 345.418 0.556 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC(C)(C)C1 ZINC001089520052 771392989 /nfs/dbraw/zinc/39/29/89/771392989.db2.gz RGNXEZMJUDOKCF-AWEZNQCLSA-N 1 1 333.432 0.669 20 30 ECEDMO CN(CCOCCNc1cncc(C#N)n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001127517519 771440803 /nfs/dbraw/zinc/44/08/03/771440803.db2.gz LFHAXYZKTWSENK-OAHLLOKOSA-N 1 1 346.435 0.719 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCCO1 ZINC001089547913 771449236 /nfs/dbraw/zinc/44/92/36/771449236.db2.gz HUQSQVHFJJMQEH-HNNXBMFYSA-N 1 1 346.435 0.402 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCCO1 ZINC001089549574 771453667 /nfs/dbraw/zinc/45/36/67/771453667.db2.gz WYHFYWRYLBXSNF-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001019552324 771472650 /nfs/dbraw/zinc/47/26/50/771472650.db2.gz POHWXIXZXOYLOW-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)CC(C)(C)C1 ZINC001089559649 771486541 /nfs/dbraw/zinc/48/65/41/771486541.db2.gz QTHLXBLUCUJBPC-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3coc(CC)n3)C2)C1=O ZINC001031624081 771509208 /nfs/dbraw/zinc/50/92/08/771509208.db2.gz RVGYZFZMRTTWMV-CQSZACIVSA-N 1 1 332.404 0.686 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089569081 771530594 /nfs/dbraw/zinc/53/05/94/771530594.db2.gz BHIUTUYFSZOPPU-UONOGXRCSA-N 1 1 333.432 0.669 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)CC[N@H+]1C ZINC001019599040 771568220 /nfs/dbraw/zinc/56/82/20/771568220.db2.gz LWDPJFDBPALQTR-DJIMGWMZSA-N 1 1 347.459 0.474 20 30 ECEDMO CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246584 771573747 /nfs/dbraw/zinc/57/37/47/771573747.db2.gz WAATZCRXIFOSGV-YNEHKIRRSA-N 1 1 334.338 0.529 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246584 771573751 /nfs/dbraw/zinc/57/37/51/771573751.db2.gz WAATZCRXIFOSGV-YNEHKIRRSA-N 1 1 334.338 0.529 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056796202 771654620 /nfs/dbraw/zinc/65/46/20/771654620.db2.gz FKMDPPSDSUEIOK-VXGBXAGGSA-N 1 1 325.376 0.385 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001056926352 771814733 /nfs/dbraw/zinc/81/47/33/771814733.db2.gz FNMFDDDHACDWJF-ZFWWWQNUSA-N 1 1 328.420 0.646 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056942416 771840685 /nfs/dbraw/zinc/84/06/85/771840685.db2.gz XTEZQEHHOLGNEF-KBPBESRZSA-N 1 1 328.420 0.727 20 30 ECEDMO CN(c1nccnc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001057006771 771936827 /nfs/dbraw/zinc/93/68/27/771936827.db2.gz YWLSSMQEDXQHOO-ZFWWWQNUSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001057056970 772009028 /nfs/dbraw/zinc/00/90/28/772009028.db2.gz JRMZFQUSJUWWMR-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001057059433 772011835 /nfs/dbraw/zinc/01/18/35/772011835.db2.gz RYJQWAZMIWFWNF-AWEZNQCLSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2nccc(C)n2)C1 ZINC001057061253 772016049 /nfs/dbraw/zinc/01/60/49/772016049.db2.gz YIWZRVOALRFMCA-HOTGVXAUSA-N 1 1 327.432 0.920 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2nccc(C)n2)C1 ZINC001057061253 772016055 /nfs/dbraw/zinc/01/60/55/772016055.db2.gz YIWZRVOALRFMCA-HOTGVXAUSA-N 1 1 327.432 0.920 20 30 ECEDMO CN(C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001020057855 772114106 /nfs/dbraw/zinc/11/41/06/772114106.db2.gz NTETVGWBUTVAIC-XYPYZODXSA-N 1 1 329.364 0.386 20 30 ECEDMO Cc1cc(C#N)nc(N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001057142144 772155478 /nfs/dbraw/zinc/15/54/78/772155478.db2.gz PXXQWSVLGVXVNG-AWEZNQCLSA-N 1 1 328.420 0.647 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncoc2C)[C@H]1C ZINC001020105481 772164466 /nfs/dbraw/zinc/16/44/66/772164466.db2.gz OCMBQZKGKNPTMW-QEJZJMRPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncoc2C)[C@H]1C ZINC001020105481 772164470 /nfs/dbraw/zinc/16/44/70/772164470.db2.gz OCMBQZKGKNPTMW-QEJZJMRPSA-N 1 1 344.415 0.800 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057146541 772164538 /nfs/dbraw/zinc/16/45/38/772164538.db2.gz ABOCIZVSYOYVCC-HNNXBMFYSA-N 1 1 344.419 0.108 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057146541 772164542 /nfs/dbraw/zinc/16/45/42/772164542.db2.gz ABOCIZVSYOYVCC-HNNXBMFYSA-N 1 1 344.419 0.108 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001020124029 772187511 /nfs/dbraw/zinc/18/75/11/772187511.db2.gz VEUZTOOIEOGKDK-CORIIIEPSA-N 1 1 329.404 0.700 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057157340 772188004 /nfs/dbraw/zinc/18/80/04/772188004.db2.gz FHBHEDMBLYVIIW-CQSZACIVSA-N 1 1 328.420 0.729 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C)C1 ZINC001020160234 772229818 /nfs/dbraw/zinc/22/98/18/772229818.db2.gz NGAXIYVBHYEWQV-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO Cc1cc(C#N)nc(N2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001057234943 772319238 /nfs/dbraw/zinc/31/92/38/772319238.db2.gz WIBHPBNXSKRDTR-CZUORRHYSA-N 1 1 342.447 0.893 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(c3ccc(C#N)nn3)CC2)O1 ZINC001057255002 772350528 /nfs/dbraw/zinc/35/05/28/772350528.db2.gz OMSCGPPOJDSVLE-UKRRQHHQSA-N 1 1 344.419 0.106 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(c3ccc(C#N)nn3)CC2)O1 ZINC001057255002 772350535 /nfs/dbraw/zinc/35/05/35/772350535.db2.gz OMSCGPPOJDSVLE-UKRRQHHQSA-N 1 1 344.419 0.106 20 30 ECEDMO C=CCOc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)cc1 ZINC001020305994 772422263 /nfs/dbraw/zinc/42/22/63/772422263.db2.gz XGHQAGPKDRMOGK-HDJSIYSDSA-N 1 1 342.403 0.826 20 30 ECEDMO Cc1cc(C#N)nc(NC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001057303446 772432798 /nfs/dbraw/zinc/43/27/98/772432798.db2.gz WHZMVYPEHQKZHG-OAHLLOKOSA-N 1 1 344.419 0.390 20 30 ECEDMO Cc1cc(C#N)nc(NC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001057303446 772432800 /nfs/dbraw/zinc/43/28/00/772432800.db2.gz WHZMVYPEHQKZHG-OAHLLOKOSA-N 1 1 344.419 0.390 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(Nc2cncc(C#N)n2)CC1 ZINC001057334843 772479793 /nfs/dbraw/zinc/47/97/93/772479793.db2.gz GITVBRZVCKCYRW-UHFFFAOYSA-N 1 1 325.376 0.956 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001057445045 772621924 /nfs/dbraw/zinc/62/19/24/772621924.db2.gz DZTYHWMLBAYQFT-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)C#CC(C)C ZINC001057519379 772710535 /nfs/dbraw/zinc/71/05/35/772710535.db2.gz STUUGNSHNWFNLC-UHFFFAOYSA-N 1 1 325.453 0.315 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057521519 772713503 /nfs/dbraw/zinc/71/35/03/772713503.db2.gz IACKUQRZHHQEDJ-SJORKVTESA-N 1 1 349.475 0.457 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001057602269 772800572 /nfs/dbraw/zinc/80/05/72/772800572.db2.gz RLWNJHZPUTVQQB-GXTWGEPZSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001057602269 772800575 /nfs/dbraw/zinc/80/05/75/772800575.db2.gz RLWNJHZPUTVQQB-GXTWGEPZSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057602874 772801212 /nfs/dbraw/zinc/80/12/12/772801212.db2.gz XTBVDNACCMROBM-OCCSQVGLSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057602874 772801214 /nfs/dbraw/zinc/80/12/14/772801214.db2.gz XTBVDNACCMROBM-OCCSQVGLSA-N 1 1 330.392 0.082 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057636690 772844698 /nfs/dbraw/zinc/84/46/98/772844698.db2.gz WZNMSDSJORQBJW-LSDHHAIUSA-N 1 1 325.453 0.478 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2C)C1 ZINC001057642688 772854067 /nfs/dbraw/zinc/85/40/67/772854067.db2.gz TYCUOLQTKQMXBQ-UHFFFAOYSA-N 1 1 334.420 0.485 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001057655341 772871518 /nfs/dbraw/zinc/87/15/18/772871518.db2.gz NXYXPVHERCYHPM-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001057655341 772871521 /nfs/dbraw/zinc/87/15/21/772871521.db2.gz NXYXPVHERCYHPM-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO N#Cc1cnccc1N[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001057668261 772891157 /nfs/dbraw/zinc/89/11/57/772891157.db2.gz SMZGWJPMKCZVJL-INIZCTEOSA-N 1 1 343.431 0.500 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001057694839 772919051 /nfs/dbraw/zinc/91/90/51/772919051.db2.gz PXVPUCPQTRZSHU-HNNXBMFYSA-N 1 1 339.480 0.868 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057717884 772940809 /nfs/dbraw/zinc/94/08/09/772940809.db2.gz BVKGZNUMBNKHJA-IAGOWNOFSA-N 1 1 349.475 0.600 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001057747603 772961704 /nfs/dbraw/zinc/96/17/04/772961704.db2.gz RWKIJDMHTHZHCT-SOUVJXGZSA-N 1 1 342.447 0.903 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001057757786 772967099 /nfs/dbraw/zinc/96/70/99/772967099.db2.gz VJJQUCCWMIICNK-KBPBESRZSA-N 1 1 328.420 0.515 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057759117 772968228 /nfs/dbraw/zinc/96/82/28/772968228.db2.gz GCVVHYFKBQWCHR-KGLIPLIRSA-N 1 1 328.420 0.657 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001057790849 772986265 /nfs/dbraw/zinc/98/62/65/772986265.db2.gz QNZZIZIUCVTVTL-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001057790849 772986267 /nfs/dbraw/zinc/98/62/67/772986267.db2.gz QNZZIZIUCVTVTL-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057875906 773112662 /nfs/dbraw/zinc/11/26/62/773112662.db2.gz QNTZZFVNLKUQNC-OAHLLOKOSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057875906 773112664 /nfs/dbraw/zinc/11/26/64/773112664.db2.gz QNTZZFVNLKUQNC-OAHLLOKOSA-N 1 1 344.419 0.154 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057945586 773245542 /nfs/dbraw/zinc/24/55/42/773245542.db2.gz AFPRKQKVPWDPAW-ZDUSSCGKSA-N 1 1 328.420 0.918 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001057946212 773246577 /nfs/dbraw/zinc/24/65/77/773246577.db2.gz VMCJOZDNUHXRMW-LRDDRELGSA-N 1 1 342.447 0.939 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001057946211 773246599 /nfs/dbraw/zinc/24/65/99/773246599.db2.gz VMCJOZDNUHXRMW-BLLLJJGKSA-N 1 1 342.447 0.939 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001057946299 773246921 /nfs/dbraw/zinc/24/69/21/773246921.db2.gz YJKJWBASGGANDT-ZDUSSCGKSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(C)o1 ZINC001057960943 773290050 /nfs/dbraw/zinc/29/00/50/773290050.db2.gz BWAMOUCQYKPRCM-HNNXBMFYSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(C)o1 ZINC001057960943 773290052 /nfs/dbraw/zinc/29/00/52/773290052.db2.gz BWAMOUCQYKPRCM-HNNXBMFYSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C1CC1 ZINC001057961060 773290807 /nfs/dbraw/zinc/29/08/07/773290807.db2.gz HJNGHWSYMNATEI-ZBFHGGJFSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C1CC1 ZINC001057961060 773290813 /nfs/dbraw/zinc/29/08/13/773290813.db2.gz HJNGHWSYMNATEI-ZBFHGGJFSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccccc1 ZINC001057961297 773291380 /nfs/dbraw/zinc/29/13/80/773291380.db2.gz QIQURADJQLQYAE-KRWDZBQOSA-N 1 1 343.427 0.335 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccccc1 ZINC001057961297 773291384 /nfs/dbraw/zinc/29/13/84/773291384.db2.gz QIQURADJQLQYAE-KRWDZBQOSA-N 1 1 343.427 0.335 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CCN(c3ccc(C#N)nn3)CC2)CC[N@H+]1C ZINC001057964734 773297834 /nfs/dbraw/zinc/29/78/34/773297834.db2.gz DLEWWNYUXCFTOE-IUODEOHRSA-N 1 1 328.420 0.773 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057973885 773317376 /nfs/dbraw/zinc/31/73/76/773317376.db2.gz CUGAIPXVHLZEGS-SJORKVTESA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)c1cc(C[NH+](C)C)on1 ZINC001058024797 773380641 /nfs/dbraw/zinc/38/06/41/773380641.db2.gz DDTNNPIUKIKWNG-UHFFFAOYSA-N 1 1 338.408 0.253 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040630534 783136803 /nfs/dbraw/zinc/13/68/03/783136803.db2.gz VAWFJYMBXYIMQC-MAUKXSAKSA-N 1 1 348.447 0.873 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001040636947 783149848 /nfs/dbraw/zinc/14/98/48/783149848.db2.gz PODMVWZEOKCIFZ-SQWLQELKSA-N 1 1 340.431 0.646 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)C1 ZINC001040637198 783150165 /nfs/dbraw/zinc/15/01/65/783150165.db2.gz VDQQEGYLJUJUBY-KCQAQPDRSA-N 1 1 326.404 0.337 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001058442881 774190180 /nfs/dbraw/zinc/19/01/80/774190180.db2.gz VFFVIXOEDYWLTO-JKSUJKDBSA-N 1 1 337.464 0.315 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058447269 774200256 /nfs/dbraw/zinc/20/02/56/774200256.db2.gz UMHCHBULLUUNQH-CABCVRRESA-N 1 1 328.420 0.916 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 ZINC001058447203 774200361 /nfs/dbraw/zinc/20/03/61/774200361.db2.gz SHDXOVXYBLCAJV-DZGCQCFKSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)CC(=C)C ZINC001058466363 774239638 /nfs/dbraw/zinc/23/96/38/774239638.db2.gz MEFSNUMIEIOTMD-SJORKVTESA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)CC(=C)C ZINC001058466363 774239641 /nfs/dbraw/zinc/23/96/41/774239641.db2.gz MEFSNUMIEIOTMD-SJORKVTESA-N 1 1 349.475 0.623 20 30 ECEDMO N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001058470073 774245979 /nfs/dbraw/zinc/24/59/79/774245979.db2.gz YSXSYTFSKZYKSU-GXTWGEPZSA-N 1 1 337.387 0.817 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)C1 ZINC001058521698 774353542 /nfs/dbraw/zinc/35/35/42/774353542.db2.gz ROZJWWHJHYDZDX-GJZGRUSLSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)C1 ZINC001058521698 774353548 /nfs/dbraw/zinc/35/35/48/774353548.db2.gz ROZJWWHJHYDZDX-GJZGRUSLSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058521727 774354364 /nfs/dbraw/zinc/35/43/64/774354364.db2.gz SBCRBAJQMSJODH-DOTOQJQBSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058521727 774354371 /nfs/dbraw/zinc/35/43/71/774354371.db2.gz SBCRBAJQMSJODH-DOTOQJQBSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)C1 ZINC001058521697 774354657 /nfs/dbraw/zinc/35/46/57/774354657.db2.gz ROZJWWHJHYDZDX-CABCVRRESA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)C1 ZINC001058521697 774354665 /nfs/dbraw/zinc/35/46/65/774354665.db2.gz ROZJWWHJHYDZDX-CABCVRRESA-N 1 1 344.419 0.152 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058582913 774475623 /nfs/dbraw/zinc/47/56/23/774475623.db2.gz VFVUAXWANYRVLW-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO Cc1nc(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccc1C#N ZINC001058587496 774484465 /nfs/dbraw/zinc/48/44/65/774484465.db2.gz CBOGXYWFQPUKJW-DAXOMENPSA-N 1 1 343.431 0.676 20 30 ECEDMO Cc1nc(N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccc1C#N ZINC001058587496 774484469 /nfs/dbraw/zinc/48/44/69/774484469.db2.gz CBOGXYWFQPUKJW-DAXOMENPSA-N 1 1 343.431 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncnc3c2CCC3)C1 ZINC001058590189 774491760 /nfs/dbraw/zinc/49/17/60/774491760.db2.gz WONGUTQLDSIVDS-PBHICJAKSA-N 1 1 339.443 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncnc3c2CCC3)C1 ZINC001058590189 774491769 /nfs/dbraw/zinc/49/17/69/774491769.db2.gz WONGUTQLDSIVDS-PBHICJAKSA-N 1 1 339.443 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C/C=C(/C)C=C)C1 ZINC001044925390 774736864 /nfs/dbraw/zinc/73/68/64/774736864.db2.gz UFHOCXWCRZBJEM-YMDFIQGPSA-N 1 1 345.443 0.296 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C/C=C(/C)C=C)C1 ZINC001044925390 774736871 /nfs/dbraw/zinc/73/68/71/774736871.db2.gz UFHOCXWCRZBJEM-YMDFIQGPSA-N 1 1 345.443 0.296 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(c3ccnc(C#N)n3)[C@H]2C1 ZINC001044942165 774749752 /nfs/dbraw/zinc/74/97/52/774749752.db2.gz ZJIOGXNJAGQCIF-ZNMIVQPWSA-N 1 1 340.431 0.870 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001044979629 774793669 /nfs/dbraw/zinc/79/36/69/774793669.db2.gz HKEIIJTXKGNDGH-CABCVRRESA-N 1 1 339.480 0.866 20 30 ECEDMO CCn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001044983955 774799161 /nfs/dbraw/zinc/79/91/61/774799161.db2.gz TWTUXNWXOITUBU-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001045059700 774912479 /nfs/dbraw/zinc/91/24/79/774912479.db2.gz VUVUFAQHDQNFAI-ZDUSSCGKSA-N 1 1 334.420 0.483 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001045148772 775056412 /nfs/dbraw/zinc/05/64/12/775056412.db2.gz WQHKUSFACZPJNJ-GJZGRUSLSA-N 1 1 335.448 0.066 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)C1 ZINC001040674566 783231261 /nfs/dbraw/zinc/23/12/61/783231261.db2.gz WZWAWXPUNDVVPN-IJEWVQPXSA-N 1 1 340.431 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC(C)(C)C)C1 ZINC001045165220 775076625 /nfs/dbraw/zinc/07/66/25/775076625.db2.gz MPQFHBLRFVIZFR-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC(C)(C)C)C1 ZINC001045165220 775076629 /nfs/dbraw/zinc/07/66/29/775076629.db2.gz MPQFHBLRFVIZFR-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc(C)[nH]2)nn1 ZINC001045232615 775190344 /nfs/dbraw/zinc/19/03/44/775190344.db2.gz QJJWCQLOPVQPTR-LBPRGKRZSA-N 1 1 330.396 0.285 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@H](C)c2nnc(C)[nH]2)nn1 ZINC001045232220 775190389 /nfs/dbraw/zinc/19/03/89/775190389.db2.gz LVMLEOYCWRZWIX-YPMHNXCESA-N 1 1 344.423 0.846 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001043888266 775219709 /nfs/dbraw/zinc/21/97/09/775219709.db2.gz DMYVQEHLAFBSDV-UHFFFAOYSA-N 1 1 346.431 0.465 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O ZINC001043958741 775401565 /nfs/dbraw/zinc/40/15/65/775401565.db2.gz CKPMXFDGYHHDAM-ZBFHGGJFSA-N 1 1 343.362 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)CC(C)C)C1 ZINC001045341744 775456461 /nfs/dbraw/zinc/45/64/61/775456461.db2.gz OPBQRHKVHDKOQM-CVEARBPZSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)CC(C)C)C1 ZINC001045341744 775456469 /nfs/dbraw/zinc/45/64/69/775456469.db2.gz OPBQRHKVHDKOQM-CVEARBPZSA-N 1 1 349.475 0.456 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)nn1 ZINC001044022699 775535955 /nfs/dbraw/zinc/53/59/55/775535955.db2.gz RGLHIOYGYUSTBW-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001045458458 775640391 /nfs/dbraw/zinc/64/03/91/775640391.db2.gz CSMMSDSDWJOUAN-CQSZACIVSA-N 1 1 346.431 0.806 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)CC[N@H+](C)CCC)C2)CCC1 ZINC001044291679 776072373 /nfs/dbraw/zinc/07/23/73/776072373.db2.gz XQZBWCPXMAEYPJ-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CN(C[C@H]3C[C@@]34CCOC4)C2)CC1 ZINC001044335559 776178910 /nfs/dbraw/zinc/17/89/10/776178910.db2.gz JPTKSAQLZDZOMI-YLJYHZDGSA-N 1 1 345.487 0.901 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)C#CC(C)(C)C)CCOCC1 ZINC001070042105 790428073 /nfs/dbraw/zinc/42/80/73/790428073.db2.gz XDVPAIZWHUWYBR-OAHLLOKOSA-N 1 1 349.475 0.912 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cncc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001070045694 790439119 /nfs/dbraw/zinc/43/91/19/790439119.db2.gz OSIJXYPTVHMRKA-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cncc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001070045694 790439127 /nfs/dbraw/zinc/43/91/27/790439127.db2.gz OSIJXYPTVHMRKA-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001044528145 776400726 /nfs/dbraw/zinc/40/07/26/776400726.db2.gz WWFLSCRHJVQPPO-JQWIXIFHSA-N 1 1 328.380 0.193 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC(=C)C)C[C@@H]2n2ccnn2)nn1 ZINC001070051811 790458042 /nfs/dbraw/zinc/45/80/42/790458042.db2.gz QIWOAEIZOGUICU-HIFRSBDPSA-N 1 1 342.407 0.287 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC(=C)C)C[C@@H]2n2ccnn2)nn1 ZINC001070051811 790458047 /nfs/dbraw/zinc/45/80/47/790458047.db2.gz QIWOAEIZOGUICU-HIFRSBDPSA-N 1 1 342.407 0.287 20 30 ECEDMO CCN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079637720 776579558 /nfs/dbraw/zinc/57/95/58/776579558.db2.gz ITRGELWYJZTECK-UHFFFAOYSA-N 1 1 331.420 0.899 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079648062 776607063 /nfs/dbraw/zinc/60/70/63/776607063.db2.gz CORVEZWIYRLVPC-VCTAVGKDSA-N 1 1 346.362 0.742 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079648062 776607069 /nfs/dbraw/zinc/60/70/69/776607069.db2.gz CORVEZWIYRLVPC-VCTAVGKDSA-N 1 1 346.362 0.742 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001044684312 776632366 /nfs/dbraw/zinc/63/23/66/776632366.db2.gz DIWSQBMTJVSREV-MIGQKNRLSA-N 1 1 343.431 0.268 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001079685471 776682128 /nfs/dbraw/zinc/68/21/28/776682128.db2.gz ISXHDKZFUATYFZ-MRXNPFEDSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001079685471 776682131 /nfs/dbraw/zinc/68/21/31/776682131.db2.gz ISXHDKZFUATYFZ-MRXNPFEDSA-N 1 1 335.448 0.570 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](n2ccnn2)C1 ZINC001070063068 790485151 /nfs/dbraw/zinc/48/51/51/790485151.db2.gz SGKINHDKBXZHDB-ZBFHGGJFSA-N 1 1 343.435 0.805 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](n2ccnn2)C1 ZINC001070063068 790485155 /nfs/dbraw/zinc/48/51/55/790485155.db2.gz SGKINHDKBXZHDB-ZBFHGGJFSA-N 1 1 343.435 0.805 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079787024 776872487 /nfs/dbraw/zinc/87/24/87/776872487.db2.gz DESPUFQAPYSYKL-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079787024 776872491 /nfs/dbraw/zinc/87/24/91/776872491.db2.gz DESPUFQAPYSYKL-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001079796497 776886868 /nfs/dbraw/zinc/88/68/68/776886868.db2.gz JMZRCZOTHFINJD-XOKHGSTOSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1C ZINC001079878376 777011326 /nfs/dbraw/zinc/01/13/26/777011326.db2.gz WAIBEDGDPPTWFM-YUELXQCFSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1C ZINC001079878376 777011330 /nfs/dbraw/zinc/01/13/30/777011330.db2.gz WAIBEDGDPPTWFM-YUELXQCFSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@H]1C ZINC001079878177 777011447 /nfs/dbraw/zinc/01/14/47/777011447.db2.gz KMSPUYBHPUFRHF-OIISXLGYSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@H]1C ZINC001079878177 777011456 /nfs/dbraw/zinc/01/14/56/777011456.db2.gz KMSPUYBHPUFRHF-OIISXLGYSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@H]1C ZINC001079879567 777013301 /nfs/dbraw/zinc/01/33/01/777013301.db2.gz YSQHDXYWJFZFNZ-OIISXLGYSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@H]1C ZINC001079879567 777013305 /nfs/dbraw/zinc/01/33/05/777013305.db2.gz YSQHDXYWJFZFNZ-OIISXLGYSA-N 1 1 344.463 0.332 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001079987156 777195614 /nfs/dbraw/zinc/19/56/14/777195614.db2.gz YBNXNGPXXNWEDS-CHWSQXEVSA-N 1 1 327.388 0.811 20 30 ECEDMO C=C(C)CN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076343 790522923 /nfs/dbraw/zinc/52/29/23/790522923.db2.gz MDANNYDOCHNLRK-OAGGEKHMSA-N 1 1 332.452 0.538 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3sccn3c2=O)C1 ZINC001080074512 777338733 /nfs/dbraw/zinc/33/87/33/777338733.db2.gz VNRYQCBSHZPIGT-DGCLKSJQSA-N 1 1 330.413 0.829 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccn(C)c2=O)[C@@H](n2ccnn2)C1 ZINC001070078746 790529988 /nfs/dbraw/zinc/52/99/88/790529988.db2.gz NRCOFHUEOJFIIN-CABCVRRESA-N 1 1 342.403 0.208 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080140562 777450913 /nfs/dbraw/zinc/45/09/13/777450913.db2.gz VYNYLKWOMURTAZ-RDTXWAMCSA-N 1 1 337.464 0.715 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 ZINC001068552114 790546672 /nfs/dbraw/zinc/54/66/72/790546672.db2.gz IXQNUTUHUHCKCH-MQMHXKEQSA-N 1 1 325.376 0.860 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001070086978 790557016 /nfs/dbraw/zinc/55/70/16/790557016.db2.gz YESXSHIFEBAJLV-HIFRSBDPSA-N 1 1 337.387 0.767 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cn3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001070086978 790557021 /nfs/dbraw/zinc/55/70/21/790557021.db2.gz YESXSHIFEBAJLV-HIFRSBDPSA-N 1 1 337.387 0.767 20 30 ECEDMO Cc1nsc(N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c1C#N ZINC001043104028 777733835 /nfs/dbraw/zinc/73/38/35/777733835.db2.gz GUNCTXTZKNVWDZ-LERXQTSPSA-N 1 1 349.460 0.913 20 30 ECEDMO Cc1nsc(N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1C#N ZINC001043104028 777733841 /nfs/dbraw/zinc/73/38/41/777733841.db2.gz GUNCTXTZKNVWDZ-LERXQTSPSA-N 1 1 349.460 0.913 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)c1 ZINC001080408852 777809327 /nfs/dbraw/zinc/80/93/27/777809327.db2.gz QPKLIRUTIRYZNI-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2C)c1 ZINC001080408852 777809339 /nfs/dbraw/zinc/80/93/39/777809339.db2.gz QPKLIRUTIRYZNI-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](OC)C(C)C)C1 ZINC001080453030 777881188 /nfs/dbraw/zinc/88/11/88/777881188.db2.gz GRVSBUKSEJBBBV-DLBZAZTESA-N 1 1 349.475 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](OC)C(C)C)C1 ZINC001080453030 777881197 /nfs/dbraw/zinc/88/11/97/777881197.db2.gz GRVSBUKSEJBBBV-DLBZAZTESA-N 1 1 349.475 0.814 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001043235230 778024232 /nfs/dbraw/zinc/02/42/32/778024232.db2.gz JVZRDICTXZWJCV-HOTGVXAUSA-N 1 1 347.459 0.352 20 30 ECEDMO CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001080559519 778035054 /nfs/dbraw/zinc/03/50/54/778035054.db2.gz HZNUAUSXCXYMNH-ZDUSSCGKSA-N 1 1 343.431 0.901 20 30 ECEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 ZINC001043269874 778076042 /nfs/dbraw/zinc/07/60/42/778076042.db2.gz SJGOLGUWRUAYAE-CHWSQXEVSA-N 1 1 347.419 0.246 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043430243 778316902 /nfs/dbraw/zinc/31/69/02/778316902.db2.gz JEFDUXUFCGLSFI-CQSZACIVSA-N 1 1 325.453 0.618 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001043529914 778477405 /nfs/dbraw/zinc/47/74/05/778477405.db2.gz BWAWIUIAKJYILQ-UHFFFAOYSA-N 1 1 349.475 0.907 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1Nc1ccc(C#N)cn1 ZINC001043600827 778571282 /nfs/dbraw/zinc/57/12/82/778571282.db2.gz RKNPISTXARRMKV-RRCSTGOVSA-N 1 1 343.431 0.931 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1Nc1ccc(C#N)cn1 ZINC001043600827 778571283 /nfs/dbraw/zinc/57/12/83/778571283.db2.gz RKNPISTXARRMKV-RRCSTGOVSA-N 1 1 343.431 0.931 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 ZINC001068588338 790642697 /nfs/dbraw/zinc/64/26/97/790642697.db2.gz FNHUSARNYFVHKW-ABHRYQDASA-N 1 1 328.420 0.853 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068588946 790645370 /nfs/dbraw/zinc/64/53/70/790645370.db2.gz OYGQJPPYNPJMBG-SYQHCUMBSA-N 1 1 328.420 0.275 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(c4ccncc4C#N)C[C@@H]32)C1 ZINC001043726120 778780079 /nfs/dbraw/zinc/78/00/79/778780079.db2.gz BRLFANLQKVJWGY-RRQGHBQHSA-N 1 1 341.415 0.321 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001043769809 778841191 /nfs/dbraw/zinc/84/11/91/778841191.db2.gz IRNQJMYLZMYAMQ-CQSZACIVSA-N 1 1 335.448 0.517 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC001042301332 780022868 /nfs/dbraw/zinc/02/28/68/780022868.db2.gz GKZCBDGJTXOTAM-KBPBESRZSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 ZINC001042311011 780048695 /nfs/dbraw/zinc/04/86/95/780048695.db2.gz DGAFSZQUWJDBIY-KGLIPLIRSA-N 1 1 334.420 0.379 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]21 ZINC001042311131 780048988 /nfs/dbraw/zinc/04/89/88/780048988.db2.gz GEQMUPJUFQGZPL-MNOVXSKESA-N 1 1 332.360 0.066 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]21 ZINC001042313391 780055258 /nfs/dbraw/zinc/05/52/58/780055258.db2.gz SXBVFNFGKLWFHL-RYUDHWBXSA-N 1 1 346.387 0.456 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]21 ZINC001042314041 780056355 /nfs/dbraw/zinc/05/63/55/780056355.db2.gz WZGNAYTWXZTQKT-HIFRSBDPSA-N 1 1 339.399 0.995 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc4nc(C)nn43)C[C@H]21 ZINC001042314300 780057504 /nfs/dbraw/zinc/05/75/04/780057504.db2.gz ZXIUYBNRMOGHCH-GDBMZVCRSA-N 1 1 338.415 0.992 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C1 ZINC001042320068 780068324 /nfs/dbraw/zinc/06/83/24/780068324.db2.gz MSPDTUHQPLCUBR-UKRRQHHQSA-N 1 1 342.399 0.115 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C1 ZINC001042320068 780068336 /nfs/dbraw/zinc/06/83/36/780068336.db2.gz MSPDTUHQPLCUBR-UKRRQHHQSA-N 1 1 342.399 0.115 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC001042333431 780086640 /nfs/dbraw/zinc/08/66/40/780086640.db2.gz OPCQKGHIZLZBKK-OLZOCXBDSA-N 1 1 334.420 0.426 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 ZINC001042333855 780089057 /nfs/dbraw/zinc/08/90/57/780089057.db2.gz QKMDETQVMCIAEJ-CVEARBPZSA-N 1 1 347.463 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001078537797 780099244 /nfs/dbraw/zinc/09/92/44/780099244.db2.gz ALWACEYWABWYRU-ZNMIVQPWSA-N 1 1 325.453 0.929 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 ZINC001042344906 780108475 /nfs/dbraw/zinc/10/84/75/780108475.db2.gz DFHIONPTLANSOK-HUUCEWRRSA-N 1 1 348.447 0.769 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]21 ZINC001042354440 780126205 /nfs/dbraw/zinc/12/62/05/780126205.db2.gz SFVPKZNPJSIYMM-TZMCWYRMSA-N 1 1 332.404 0.598 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001042663908 780607434 /nfs/dbraw/zinc/60/74/34/780607434.db2.gz IZTBKAYVVVUJHG-LSDHHAIUSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001078964812 780660863 /nfs/dbraw/zinc/66/08/63/780660863.db2.gz WRJJCKCQVNTWEX-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)COCC)CC1 ZINC001078991817 780684657 /nfs/dbraw/zinc/68/46/57/780684657.db2.gz ZAHVRYZYDGUBSB-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)COCC)CC1 ZINC001078991817 780684662 /nfs/dbraw/zinc/68/46/62/780684662.db2.gz ZAHVRYZYDGUBSB-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCOC2)C1 ZINC001079126861 780784951 /nfs/dbraw/zinc/78/49/51/780784951.db2.gz CRCZWCGSCMRPKO-KZNAEPCWSA-N 1 1 328.412 0.730 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCOC2)C1 ZINC001079126861 780784954 /nfs/dbraw/zinc/78/49/54/780784954.db2.gz CRCZWCGSCMRPKO-KZNAEPCWSA-N 1 1 328.412 0.730 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001042801211 780844879 /nfs/dbraw/zinc/84/48/79/780844879.db2.gz HIJRJLUECSFICA-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001042801788 780846686 /nfs/dbraw/zinc/84/66/86/780846686.db2.gz UELKAAUBLAODCS-CQSZACIVSA-N 1 1 344.415 0.254 20 30 ECEDMO CN(c1ncccc1C#N)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001068663726 790834858 /nfs/dbraw/zinc/83/48/58/790834858.db2.gz ISMUHOBXKYYIKH-MRXNPFEDSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(c1ncccc1C#N)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001068663726 790834869 /nfs/dbraw/zinc/83/48/69/790834869.db2.gz ISMUHOBXKYYIKH-MRXNPFEDSA-N 1 1 343.431 0.711 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001042836896 780917683 /nfs/dbraw/zinc/91/76/83/780917683.db2.gz XYNSHWYKBJFWCF-RRFJBIMHSA-N 1 1 329.404 0.225 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC3(CCN(CC#N)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259906 780931501 /nfs/dbraw/zinc/93/15/01/780931501.db2.gz UKVZURUNUNVXCV-YESZJQIVSA-N 1 1 346.475 0.791 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COCC2CC2)C1 ZINC001079378180 781047125 /nfs/dbraw/zinc/04/71/25/781047125.db2.gz ONPGPLAXEAYMEA-KRWDZBQOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COCC2CC2)C1 ZINC001079378180 781047132 /nfs/dbraw/zinc/04/71/32/781047132.db2.gz ONPGPLAXEAYMEA-KRWDZBQOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ncc(C)cn2)C1 ZINC001042959934 781101190 /nfs/dbraw/zinc/10/11/90/781101190.db2.gz GQUWHUQOEGLMKP-INIZCTEOSA-N 1 1 327.432 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ncc(C)cn2)C1 ZINC001042959934 781101193 /nfs/dbraw/zinc/10/11/93/781101193.db2.gz GQUWHUQOEGLMKP-INIZCTEOSA-N 1 1 327.432 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CC(C)C)CO2 ZINC001068670746 790853031 /nfs/dbraw/zinc/85/30/31/790853031.db2.gz SRYUXDBEBLOFAB-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CC(C)C)CO2 ZINC001068670746 790853044 /nfs/dbraw/zinc/85/30/44/790853044.db2.gz SRYUXDBEBLOFAB-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001042978336 781128504 /nfs/dbraw/zinc/12/85/04/781128504.db2.gz YWSRWKLBFZZTIL-FVQBIDKESA-N 1 1 343.431 0.615 20 30 ECEDMO C=CCOCC(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001079492838 781180118 /nfs/dbraw/zinc/18/01/18/781180118.db2.gz OIVVXIWIQDZFTE-UHFFFAOYSA-N 1 1 337.464 0.980 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493330 781181008 /nfs/dbraw/zinc/18/10/08/781181008.db2.gz JVZBZJNRPAALBV-DAXOMENPSA-N 1 1 326.400 0.773 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 ZINC001043023776 781203913 /nfs/dbraw/zinc/20/39/13/781203913.db2.gz QFAJLKQDULVAQV-ZIAGYGMSSA-N 1 1 336.436 0.098 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)C=C(C)C)CO2 ZINC001068675378 790868449 /nfs/dbraw/zinc/86/84/49/790868449.db2.gz HQQSIIZPRDIKAH-CVEARBPZSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)C=C(C)C)CO2 ZINC001068675378 790868462 /nfs/dbraw/zinc/86/84/62/790868462.db2.gz HQQSIIZPRDIKAH-CVEARBPZSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043043211 781233404 /nfs/dbraw/zinc/23/34/04/781233404.db2.gz DRZNONPBYFRAPF-MRXNPFEDSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043043499 781236013 /nfs/dbraw/zinc/23/60/13/781236013.db2.gz MJJUHNVSVQNLMF-HNNXBMFYSA-N 1 1 335.448 0.352 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043059703 781255844 /nfs/dbraw/zinc/25/58/44/781255844.db2.gz KZIROOKHPIOTBL-HOTGVXAUSA-N 1 1 349.475 0.907 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2O)CC[N@H+]1C ZINC001041389087 781412506 /nfs/dbraw/zinc/41/25/06/781412506.db2.gz ZMGSFTBPRVBOAH-ZJIFWQFVSA-N 1 1 343.431 0.349 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1O ZINC001041390692 781415848 /nfs/dbraw/zinc/41/58/48/781415848.db2.gz MXJUXAIZSVTRHT-FPCVCCKLSA-N 1 1 346.431 0.740 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001077658985 781444031 /nfs/dbraw/zinc/44/40/31/781444031.db2.gz UIUAZNCLMQYACT-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC001041448528 781538767 /nfs/dbraw/zinc/53/87/67/781538767.db2.gz FPAFTHXMSPSWAZ-QGZVFWFLSA-N 1 1 332.404 0.449 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC001041499723 781636966 /nfs/dbraw/zinc/63/69/66/781636966.db2.gz YXESOEXZOJDCPY-MAUKXSAKSA-N 1 1 343.431 0.866 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC001041499639 781637153 /nfs/dbraw/zinc/63/71/53/781637153.db2.gz XVVAMFFPMFNEPQ-MAUKXSAKSA-N 1 1 341.415 0.313 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCCC2)C1 ZINC001077769410 781671042 /nfs/dbraw/zinc/67/10/42/781671042.db2.gz AFYUKCQECOGVHS-HZPDHXFCSA-N 1 1 337.464 0.369 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001077847904 781812521 /nfs/dbraw/zinc/81/25/21/781812521.db2.gz WZRNZFIJYOJCCG-GDBMZVCRSA-N 1 1 328.372 0.141 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001077847904 781812530 /nfs/dbraw/zinc/81/25/30/781812530.db2.gz WZRNZFIJYOJCCG-GDBMZVCRSA-N 1 1 328.372 0.141 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCCO1 ZINC001039907867 783256336 /nfs/dbraw/zinc/25/63/36/783256336.db2.gz KYVCAGILQVJVNG-HUUCEWRRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2ccncc2C#N)CCCO1 ZINC001039908242 783258259 /nfs/dbraw/zinc/25/82/59/783258259.db2.gz ULBVFBOMPICIST-NVXWUHKLSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070173001 783593452 /nfs/dbraw/zinc/59/34/52/783593452.db2.gz XVVBGVYVPBHKFA-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@@H]1n1ccnn1 ZINC001070193562 783628029 /nfs/dbraw/zinc/62/80/29/783628029.db2.gz FDJZIHQPQGVMPK-OLZOCXBDSA-N 1 1 349.826 0.728 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NCC#N)[C@@H](n3ccnn3)C2)C1 ZINC001070207685 783659263 /nfs/dbraw/zinc/65/92/63/783659263.db2.gz JGDQZRABTAYNIV-XHSDSOJGSA-N 1 1 345.451 0.121 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@@H]1n1ccnn1 ZINC001070224322 783694205 /nfs/dbraw/zinc/69/42/05/783694205.db2.gz ZHXVTOJBADXYGO-KGLIPLIRSA-N 1 1 349.826 0.971 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070232866 783708815 /nfs/dbraw/zinc/70/88/15/783708815.db2.gz TXCSVNUPWVVUHX-KGLIPLIRSA-N 1 1 336.436 0.269 20 30 ECEDMO C=CCOCC(=O)NCC1(NC(=O)CC[N@H+](C)CC)CCOCC1 ZINC001070250586 783741214 /nfs/dbraw/zinc/74/12/14/783741214.db2.gz SWYRKELZMBGLKW-UHFFFAOYSA-N 1 1 341.452 0.312 20 30 ECEDMO C=CCCC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCOCC1 ZINC001070254552 783751023 /nfs/dbraw/zinc/75/10/23/783751023.db2.gz OTGBKUHFAFTZBI-GJZGRUSLSA-N 1 1 337.464 0.932 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1n1ccnn1 ZINC001070255270 783752130 /nfs/dbraw/zinc/75/21/30/783752130.db2.gz SXZLALGIDSGFAE-BJJPWKGXSA-N 1 1 337.811 0.265 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1 ZINC001070259515 783758227 /nfs/dbraw/zinc/75/82/27/783758227.db2.gz SZZYQOBMBKJBCA-OLZOCXBDSA-N 1 1 336.783 0.603 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC001070292180 783798707 /nfs/dbraw/zinc/79/87/07/783798707.db2.gz KBHGWNXNURQUFS-KGLIPLIRSA-N 1 1 349.826 0.728 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1n1ccnn1 ZINC001070339429 783845483 /nfs/dbraw/zinc/84/54/83/783845483.db2.gz YJRWFQJKRCSJOI-NEPJUHHUSA-N 1 1 335.799 0.717 20 30 ECEDMO C#CCN1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001070385242 783927714 /nfs/dbraw/zinc/92/77/14/783927714.db2.gz JHFCCRLDXDABMY-DLBZAZTESA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cncn2C)C1 ZINC001070386176 783931269 /nfs/dbraw/zinc/93/12/69/783931269.db2.gz BSJKKMYLAPEWEG-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cncn2C)C1 ZINC001070386176 783931273 /nfs/dbraw/zinc/93/12/73/783931273.db2.gz BSJKKMYLAPEWEG-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnn(C)n2)C1 ZINC001070387347 783934888 /nfs/dbraw/zinc/93/48/88/783934888.db2.gz JUARGBGGKOGEMD-AWEZNQCLSA-N 1 1 340.387 0.226 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnn(C)n2)C1 ZINC001070387347 783934894 /nfs/dbraw/zinc/93/48/94/783934894.db2.gz JUARGBGGKOGEMD-AWEZNQCLSA-N 1 1 340.387 0.226 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001070399684 783967002 /nfs/dbraw/zinc/96/70/02/783967002.db2.gz NQOITGZWEVMRFC-GXTWGEPZSA-N 1 1 331.420 0.670 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001070405796 783984670 /nfs/dbraw/zinc/98/46/70/783984670.db2.gz BSDHTSUZEPDRDW-GFCCVEGCSA-N 1 1 343.387 0.444 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnnn2C)C1 ZINC001070408649 783994685 /nfs/dbraw/zinc/99/46/85/783994685.db2.gz YCMLDNVFOHNTLI-GFCCVEGCSA-N 1 1 327.392 0.281 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nn(C)cc2C)C1 ZINC001070409749 783997896 /nfs/dbraw/zinc/99/78/96/783997896.db2.gz LHCSWRUCEPHPFM-CYBMUJFWSA-N 1 1 326.404 0.804 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnnn2CC)C1 ZINC001070410230 783998758 /nfs/dbraw/zinc/99/87/58/783998758.db2.gz YKCPVWLNFSSFBY-ZDUSSCGKSA-N 1 1 341.419 0.764 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001070421534 784031336 /nfs/dbraw/zinc/03/13/36/784031336.db2.gz OPXHNIWYGFMRFX-HIFRSBDPSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c(C)cnn2C)C1 ZINC001070421503 784031372 /nfs/dbraw/zinc/03/13/72/784031372.db2.gz NINUJAKYRSCPMU-CYBMUJFWSA-N 1 1 326.404 0.804 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001070421609 784031829 /nfs/dbraw/zinc/03/18/29/784031829.db2.gz RBWVZDXCEWJVPD-UKRRQHHQSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001070424456 784040260 /nfs/dbraw/zinc/04/02/60/784040260.db2.gz LLKGKMZWHSPSNO-NSHDSACASA-N 1 1 341.371 0.454 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001070433692 784059421 /nfs/dbraw/zinc/05/94/21/784059421.db2.gz BCWFLZNGHFTAQH-GOEBONIOSA-N 1 1 345.447 0.169 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001070433694 784059644 /nfs/dbraw/zinc/05/96/44/784059644.db2.gz BCWFLZNGHFTAQH-ZBFHGGJFSA-N 1 1 345.447 0.169 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C1=COCCO1)C[C@H]2c1nnc(C)[nH]1 ZINC001070437078 784069749 /nfs/dbraw/zinc/06/97/49/784069749.db2.gz KVLBJDNOBYUHHA-ZDUSSCGKSA-N 1 1 345.403 0.415 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442692 784086956 /nfs/dbraw/zinc/08/69/56/784086956.db2.gz MTGFEXFSCXSJLJ-LSDHHAIUSA-N 1 1 345.447 0.954 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cn(C)cn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070444791 784095643 /nfs/dbraw/zinc/09/56/43/784095643.db2.gz WYJCAFAIIMDMGV-ZDUSSCGKSA-N 1 1 341.419 0.574 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](c2nnc(C)[nH]2)C2(C[NH+](CCO)C2)C1 ZINC001070447294 784102022 /nfs/dbraw/zinc/10/20/22/784102022.db2.gz HPQFGQZXKXNGCQ-AWEZNQCLSA-N 1 1 347.463 0.936 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H](c2nnc(C)[nH]2)C2(C[NH+](CCO)C2)C1 ZINC001070447468 784102687 /nfs/dbraw/zinc/10/26/87/784102687.db2.gz LIAXWTJEMIWXER-WMLDXEAASA-N 1 1 347.463 0.936 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cccnn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070450487 784109402 /nfs/dbraw/zinc/10/94/02/784109402.db2.gz HMURFKBJWGYOMV-CYBMUJFWSA-N 1 1 339.403 0.631 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cccnn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070450488 784109577 /nfs/dbraw/zinc/10/95/77/784109577.db2.gz HMURFKBJWGYOMV-ZDUSSCGKSA-N 1 1 339.403 0.631 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001070921739 784118886 /nfs/dbraw/zinc/11/88/86/784118886.db2.gz LJRGSWUQKNXLDD-SJORKVTESA-N 1 1 348.491 0.533 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)O1 ZINC001070927132 784131617 /nfs/dbraw/zinc/13/16/17/784131617.db2.gz WLNSWXRBIFTTEN-BZUAXINKSA-N 1 1 349.475 0.862 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)O1 ZINC001070927132 784131624 /nfs/dbraw/zinc/13/16/24/784131624.db2.gz WLNSWXRBIFTTEN-BZUAXINKSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)COC2CCCC2)CC1 ZINC001070939612 784168633 /nfs/dbraw/zinc/16/86/33/784168633.db2.gz TYAPHXUZODPRGM-UHFFFAOYSA-N 1 1 335.448 0.619 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)COC2CCCC2)CC1 ZINC001070939612 784168641 /nfs/dbraw/zinc/16/86/41/784168641.db2.gz TYAPHXUZODPRGM-UHFFFAOYSA-N 1 1 335.448 0.619 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC(=O)NCC[N@H+](CC3CCC3)CC2)c1 ZINC001070951543 784206571 /nfs/dbraw/zinc/20/65/71/784206571.db2.gz PZBFAJGMCRXXKV-UHFFFAOYSA-N 1 1 343.431 0.951 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccoc2)CC1 ZINC001070952782 784209143 /nfs/dbraw/zinc/20/91/43/784209143.db2.gz IDRHTGMXZKDKGJ-UHFFFAOYSA-N 1 1 331.416 0.886 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccoc2)CC1 ZINC001070952782 784209148 /nfs/dbraw/zinc/20/91/48/784209148.db2.gz IDRHTGMXZKDKGJ-UHFFFAOYSA-N 1 1 331.416 0.886 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)c2cnc(C#N)cn2)CC1 ZINC001068727257 791006693 /nfs/dbraw/zinc/00/66/93/791006693.db2.gz IWDFLODYSBAAEW-BBRMVZONSA-N 1 1 342.447 0.973 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)c2ccnc(C#N)n2)CC1 ZINC001068727309 791006976 /nfs/dbraw/zinc/00/69/76/791006976.db2.gz LGXOEOCZMXPNKJ-ZFWWWQNUSA-N 1 1 342.447 0.973 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccnn2C)CC1 ZINC001070958758 784229799 /nfs/dbraw/zinc/22/97/99/784229799.db2.gz RHXSCPJKAHBTIT-UHFFFAOYSA-N 1 1 333.436 0.189 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccnn2C)CC1 ZINC001070958758 784229805 /nfs/dbraw/zinc/22/98/05/784229805.db2.gz RHXSCPJKAHBTIT-UHFFFAOYSA-N 1 1 333.436 0.189 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCC(=O)NCC[N@@H+](C[C@@H](C)O)CC1 ZINC001070968231 784259983 /nfs/dbraw/zinc/25/99/83/784259983.db2.gz VDAJABBZDUVTTB-GFCCVEGCSA-N 1 1 345.871 0.796 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCC(=O)NCC[N@H+](C[C@@H](C)O)CC1 ZINC001070968231 784259991 /nfs/dbraw/zinc/25/99/91/784259991.db2.gz VDAJABBZDUVTTB-GFCCVEGCSA-N 1 1 345.871 0.796 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2nc(CC)c[nH]2)CC1 ZINC001070971803 784276956 /nfs/dbraw/zinc/27/69/56/784276956.db2.gz SHDDGAMOZLKMIY-UHFFFAOYSA-N 1 1 345.447 0.188 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2nc(CC)c[nH]2)CC1 ZINC001070971803 784276960 /nfs/dbraw/zinc/27/69/60/784276960.db2.gz SHDDGAMOZLKMIY-UHFFFAOYSA-N 1 1 345.447 0.188 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)COC)C1 ZINC001070979435 784304142 /nfs/dbraw/zinc/30/41/42/784304142.db2.gz JPFWRVHLNVRVBZ-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)COC)C1 ZINC001070979435 784304149 /nfs/dbraw/zinc/30/41/49/784304149.db2.gz JPFWRVHLNVRVBZ-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001070979846 784304831 /nfs/dbraw/zinc/30/48/31/784304831.db2.gz BEMCYPKVWAGAOA-UHFFFAOYSA-N 1 1 333.436 0.418 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cn(CC)nn2)CC1 ZINC001070981967 784312804 /nfs/dbraw/zinc/31/28/04/784312804.db2.gz SZKOEIAWVZACCO-UHFFFAOYSA-N 1 1 348.451 0.067 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]nc2C)CC1 ZINC001070982989 784316213 /nfs/dbraw/zinc/31/62/13/784316213.db2.gz XDWMNPFOXZODGQ-UHFFFAOYSA-N 1 1 333.436 0.948 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001070995048 784353539 /nfs/dbraw/zinc/35/35/39/784353539.db2.gz OUHBBLVFSSLQAG-QGZVFWFLSA-N 1 1 325.453 0.622 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001070995048 784353546 /nfs/dbraw/zinc/35/35/46/784353546.db2.gz OUHBBLVFSSLQAG-QGZVFWFLSA-N 1 1 325.453 0.622 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC001071001190 784374301 /nfs/dbraw/zinc/37/43/01/784374301.db2.gz JZAPLUWWOYOSIM-UHFFFAOYSA-N 1 1 348.451 0.354 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001071001190 784374306 /nfs/dbraw/zinc/37/43/06/784374306.db2.gz JZAPLUWWOYOSIM-UHFFFAOYSA-N 1 1 348.451 0.354 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001071001190 784374315 /nfs/dbraw/zinc/37/43/15/784374315.db2.gz JZAPLUWWOYOSIM-UHFFFAOYSA-N 1 1 348.451 0.354 20 30 ECEDMO C=CCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001070593351 784401075 /nfs/dbraw/zinc/40/10/75/784401075.db2.gz ZLRVXHCWRPQRPR-UONOGXRCSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070593351 784401079 /nfs/dbraw/zinc/40/10/79/784401079.db2.gz ZLRVXHCWRPQRPR-UONOGXRCSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070593351 784401083 /nfs/dbraw/zinc/40/10/83/784401083.db2.gz ZLRVXHCWRPQRPR-UONOGXRCSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070593351 784401091 /nfs/dbraw/zinc/40/10/91/784401091.db2.gz ZLRVXHCWRPQRPR-UONOGXRCSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001070593351 784401095 /nfs/dbraw/zinc/40/10/95/784401095.db2.gz ZLRVXHCWRPQRPR-UONOGXRCSA-N 1 1 348.451 0.322 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C2CC(OC)C2)n1 ZINC001070598101 784409428 /nfs/dbraw/zinc/40/94/28/784409428.db2.gz MCFRFOPJNHTSJP-GRAKBVBRSA-N 1 1 346.431 0.969 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CCC)CC2)cn1 ZINC001071016151 784424534 /nfs/dbraw/zinc/42/45/34/784424534.db2.gz CLDPUIYUNZXEQF-UHFFFAOYSA-N 1 1 328.416 0.737 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CCC)CC2)cn1 ZINC001071016151 784424541 /nfs/dbraw/zinc/42/45/41/784424541.db2.gz CLDPUIYUNZXEQF-UHFFFAOYSA-N 1 1 328.416 0.737 20 30 ECEDMO Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cncn2C)co1 ZINC001070630460 784462453 /nfs/dbraw/zinc/46/24/53/784462453.db2.gz RFHUSXMXHCIYLK-NILFDRSVSA-N 1 1 342.403 0.960 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1c1cncn1C ZINC001070661048 784516622 /nfs/dbraw/zinc/51/66/22/784516622.db2.gz VZDVNNNVBLHGJH-OAGGEKHMSA-N 1 1 331.464 0.974 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070668688 784526144 /nfs/dbraw/zinc/52/61/44/784526144.db2.gz GKPRFKJEIVETHQ-BZUAXINKSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070668688 784526146 /nfs/dbraw/zinc/52/61/46/784526146.db2.gz GKPRFKJEIVETHQ-BZUAXINKSA-N 1 1 335.448 0.616 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 ZINC001071133700 784577013 /nfs/dbraw/zinc/57/70/13/784577013.db2.gz FQLZLLISFSVDJR-GOEBONIOSA-N 1 1 334.424 0.331 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001070729221 784611391 /nfs/dbraw/zinc/61/13/91/784611391.db2.gz DGBJQHVAVDCIKJ-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001070729251 784611672 /nfs/dbraw/zinc/61/16/72/784611672.db2.gz FDHAMQHTPNQXLB-VVLHAWIVSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)C[C@H](C)O2 ZINC001071156902 784621157 /nfs/dbraw/zinc/62/11/57/784621157.db2.gz OENCEJUXSQQCRE-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnnn1CC)C[C@H](C)O2 ZINC001071158900 784624895 /nfs/dbraw/zinc/62/48/95/784624895.db2.gz DJCYWWPCVSYBGI-YOEHRIQHSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccnn1C)C[C@@H](C)O2 ZINC001071162408 784632427 /nfs/dbraw/zinc/63/24/27/784632427.db2.gz TXEWPWDTIWTCTG-QAPCUYQASA-N 1 1 330.432 0.678 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccnn1C)C[C@@H](C)O2 ZINC001071164169 784636095 /nfs/dbraw/zinc/63/60/95/784636095.db2.gz IGTPBAREAGNCQZ-CRAIPNDOSA-N 1 1 330.432 0.678 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CCOC)nn1)C[C@@H](C)O2 ZINC001071164350 784638352 /nfs/dbraw/zinc/63/83/52/784638352.db2.gz LAOLPGQPRDDNEA-RHSMWYFYSA-N 1 1 349.435 0.416 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1ccncn1)C[C@@H](C)O2 ZINC001071170690 784651431 /nfs/dbraw/zinc/65/14/31/784651431.db2.gz BAJOVWPQPLRGJY-QAPCUYQASA-N 1 1 328.416 0.734 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3n[nH]nc3c1)C[C@@H](C)O2 ZINC001071176316 784665458 /nfs/dbraw/zinc/66/54/58/784665458.db2.gz UOJBGHPOKVMKDF-SJKOYZFVSA-N 1 1 342.403 0.844 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3n1CCC3)C[C@H](C)O2 ZINC001071177968 784670441 /nfs/dbraw/zinc/67/04/41/784670441.db2.gz IQNLYSICKMGTLD-KSSFIOAISA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(C)nc1C)C[C@H](C)O2 ZINC001071178446 784672889 /nfs/dbraw/zinc/67/28/89/784672889.db2.gz PNWPVGZTIBPHIZ-KBXCAEBGSA-N 1 1 330.432 0.596 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3nc[nH]c3n1)C[C@@H](C)O2 ZINC001071179844 784676015 /nfs/dbraw/zinc/67/60/15/784676015.db2.gz AQOYWUCHHKPPQW-ACJLOTCBSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3nc[nH]c3n1)C[C@@H](C)O2 ZINC001071179844 784676019 /nfs/dbraw/zinc/67/60/19/784676019.db2.gz AQOYWUCHHKPPQW-ACJLOTCBSA-N 1 1 339.399 0.897 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@@H](C)O2 ZINC001071183560 784684163 /nfs/dbraw/zinc/68/41/63/784684163.db2.gz QBIBHGCJBSSNSR-BEFAXECRSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(CCF)c1)C[C@@H](C)O2 ZINC001071183913 784685604 /nfs/dbraw/zinc/68/56/04/784685604.db2.gz VIUYUMXUIADALD-RHSMWYFYSA-N 1 1 334.395 0.791 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(CCF)c1)C[C@@H](C)O2 ZINC001071183913 784685609 /nfs/dbraw/zinc/68/56/09/784685609.db2.gz VIUYUMXUIADALD-RHSMWYFYSA-N 1 1 334.395 0.791 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@@H](C)O2 ZINC001071189212 784694349 /nfs/dbraw/zinc/69/43/49/784694349.db2.gz HODZMQTZHLZPAL-DYVFJYSZSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@@H](C)O2 ZINC001071189212 784694351 /nfs/dbraw/zinc/69/43/51/784694351.db2.gz HODZMQTZHLZPAL-DYVFJYSZSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc3n[nH]nc31)C[C@H](C)O2 ZINC001071189262 784694404 /nfs/dbraw/zinc/69/44/04/784694404.db2.gz IOFYKXCZHGUIQM-YVEFUNNKSA-N 1 1 340.387 0.292 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc3n[nH]nc31)C[C@H](C)O2 ZINC001071189262 784694409 /nfs/dbraw/zinc/69/44/09/784694409.db2.gz IOFYKXCZHGUIQM-YVEFUNNKSA-N 1 1 340.387 0.292 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@@H](C)O2 ZINC001071189848 784695610 /nfs/dbraw/zinc/69/56/10/784695610.db2.gz QDCZPKYRGXQTCP-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@@H](C)O2 ZINC001071190274 784696754 /nfs/dbraw/zinc/69/67/54/784696754.db2.gz WOBAHQYGSXKPCU-RDTXWAMCSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@H](C)O2 ZINC001071191226 784699907 /nfs/dbraw/zinc/69/99/07/784699907.db2.gz CNBKHVWDQREVDI-SJCJKPOMSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@H](C)O2 ZINC001071191226 784699914 /nfs/dbraw/zinc/69/99/14/784699914.db2.gz CNBKHVWDQREVDI-SJCJKPOMSA-N 1 1 331.372 0.317 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@H](C)O2 ZINC001071191147 784699971 /nfs/dbraw/zinc/69/99/71/784699971.db2.gz AXVFSLXQMZEQAB-KSSFIOAISA-N 1 1 346.431 0.662 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@H](C)O2 ZINC001071209711 784743159 /nfs/dbraw/zinc/74/31/59/784743159.db2.gz OILHIWRKWPOYGD-YVEFUNNKSA-N 1 1 332.404 0.605 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@@H](C)O2 ZINC001071212463 784749260 /nfs/dbraw/zinc/74/92/60/784749260.db2.gz XXPGAHAWUWABJY-BEFAXECRSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccc(C)cc1=O)C[C@H](C)O2 ZINC001071216100 784755474 /nfs/dbraw/zinc/75/54/74/784755474.db2.gz LZQWCNGVBPOBLW-QFBILLFUSA-N 1 1 343.427 0.482 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@@H](C)O2 ZINC001071218059 784760867 /nfs/dbraw/zinc/76/08/67/784760867.db2.gz IEEGUOCEGTVPCM-SJLPKXTDSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)N1CCOCC1)C[C@@H](C)O2 ZINC001071218384 784762189 /nfs/dbraw/zinc/76/21/89/784762189.db2.gz MZOLFVKKIIOGIP-VQIMIIECSA-N 1 1 349.475 0.422 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001070862679 784762308 /nfs/dbraw/zinc/76/23/08/784762308.db2.gz CZIUPKGNZQKRQD-RHSMWYFYSA-N 1 1 325.453 0.761 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cncn1C)C[C@H](C)O2 ZINC001071226170 784784179 /nfs/dbraw/zinc/78/41/79/784784179.db2.gz VMOAICNNPDFIGP-YJBOKZPZSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cncn1C)C[C@@H](C)O2 ZINC001071226091 784784398 /nfs/dbraw/zinc/78/43/98/784784398.db2.gz UZDUMTDLHHVMSF-CRAIPNDOSA-N 1 1 330.432 0.678 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@H](C)O2 ZINC001071226249 784784438 /nfs/dbraw/zinc/78/44/38/784784438.db2.gz WZFDXFVHHYEEQJ-SCLBCKFNSA-N 1 1 346.431 0.995 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccnc1C)C[C@H](C)O2 ZINC001071240710 784813100 /nfs/dbraw/zinc/81/31/00/784813100.db2.gz JTJWUQKVFIGMOZ-MAUKXSAKSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@H](C)O2 ZINC001071241488 784817124 /nfs/dbraw/zinc/81/71/24/784817124.db2.gz VYXOSGIWYGZVMZ-YVEFUNNKSA-N 1 1 332.404 0.605 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@H](C)O2 ZINC001071244068 784822168 /nfs/dbraw/zinc/82/21/68/784822168.db2.gz OZRJZAVSRBSPRK-KSSFIOAISA-N 1 1 348.447 0.605 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)C[C@@H](C)O2 ZINC001071246101 784827694 /nfs/dbraw/zinc/82/76/94/784827694.db2.gz OWOSOEWGUGLLQW-RDTXWAMCSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)C[C@@H](C)O2 ZINC001071246101 784827700 /nfs/dbraw/zinc/82/77/00/784827700.db2.gz OWOSOEWGUGLLQW-RDTXWAMCSA-N 1 1 330.432 0.921 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C(=O)C1 ZINC001071265767 784889352 /nfs/dbraw/zinc/88/93/52/784889352.db2.gz SLJYYCVKIRNPNZ-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 ZINC001071267677 784894781 /nfs/dbraw/zinc/89/47/81/784894781.db2.gz OIBCQCOPCVTJIA-HOTGVXAUSA-N 1 1 347.463 0.129 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C(=O)C1 ZINC001071276951 784921228 /nfs/dbraw/zinc/92/12/28/784921228.db2.gz FZCTZFZWGCWOMY-INIZCTEOSA-N 1 1 345.447 0.513 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C(=O)C1 ZINC001071277526 784924652 /nfs/dbraw/zinc/92/46/52/784924652.db2.gz XMCPBBIBOFVQJA-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001068757322 791079945 /nfs/dbraw/zinc/07/99/45/791079945.db2.gz RQBQFRBHDNPUJU-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CCN1CCNC1=O ZINC001071431076 785078105 /nfs/dbraw/zinc/07/81/05/785078105.db2.gz KHZKEJMGSQTRQW-JSGCOSHPSA-N 1 1 344.419 0.494 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)CC[C@@H]1C ZINC001071828447 785179396 /nfs/dbraw/zinc/17/93/96/785179396.db2.gz OSDXXWGBXVWZMP-KBPBESRZSA-N 1 1 330.432 0.739 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001071508613 785215106 /nfs/dbraw/zinc/21/51/06/785215106.db2.gz QUDFCCXQVBITLW-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC[C@H]1C ZINC001071509188 785216102 /nfs/dbraw/zinc/21/61/02/785216102.db2.gz ZIZRRJGLQQXCRW-KGLIPLIRSA-N 1 1 333.432 0.764 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)CC[C@H]1C ZINC001071862637 785236534 /nfs/dbraw/zinc/23/65/34/785236534.db2.gz YDNXROXKVDYXJW-KGLIPLIRSA-N 1 1 344.419 0.436 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071548746 785285485 /nfs/dbraw/zinc/28/54/85/785285485.db2.gz LCKYAJYDCYYZHE-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071919019 785334023 /nfs/dbraw/zinc/33/40/23/785334023.db2.gz VWUVBEDNYYJZCR-BLLLJJGKSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC[C@H]1C ZINC001071931688 785355972 /nfs/dbraw/zinc/35/59/72/785355972.db2.gz YWQHHJQGFDTWPH-DGCLKSJQSA-N 1 1 332.404 0.731 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC[C@H]1C ZINC001071631618 785420470 /nfs/dbraw/zinc/42/04/70/785420470.db2.gz PEMBSBNZRLLHEK-ZIAGYGMSSA-N 1 1 342.403 0.926 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@H]1C ZINC001071645692 785440761 /nfs/dbraw/zinc/44/07/61/785440761.db2.gz LQBPCMZPCHVNEM-MNOVXSKESA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@H]1C ZINC001071645692 785440767 /nfs/dbraw/zinc/44/07/67/785440767.db2.gz LQBPCMZPCHVNEM-MNOVXSKESA-N 1 1 325.390 0.143 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C ZINC001071972182 785446416 /nfs/dbraw/zinc/44/64/16/785446416.db2.gz SUUNADFUHBFLLI-ZIAGYGMSSA-N 1 1 336.436 0.864 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)CC[C@H]1C ZINC001071662632 785476494 /nfs/dbraw/zinc/47/64/94/785476494.db2.gz DXQSGXVWRNMBTC-HIFRSBDPSA-N 1 1 329.400 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)N(C)C)C2)cn1 ZINC001072001500 785506158 /nfs/dbraw/zinc/50/61/58/785506158.db2.gz DMXICSMNGWDGBG-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)N(C)C)C2)cn1 ZINC001072001500 785506161 /nfs/dbraw/zinc/50/61/61/785506161.db2.gz DMXICSMNGWDGBG-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001072061183 785597739 /nfs/dbraw/zinc/59/77/39/785597739.db2.gz ZGELLGZDFNFWKU-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001071746541 785629648 /nfs/dbraw/zinc/62/96/48/785629648.db2.gz YTKQBEIFEHUAFP-IUODEOHRSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001071746541 785629653 /nfs/dbraw/zinc/62/96/53/785629653.db2.gz YTKQBEIFEHUAFP-IUODEOHRSA-N 1 1 339.403 0.865 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001072093221 785656490 /nfs/dbraw/zinc/65/64/90/785656490.db2.gz DERKALHPTLHRQM-HOCLYGCPSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@@H]1C ZINC001072099201 785668101 /nfs/dbraw/zinc/66/81/01/785668101.db2.gz NMTKIXWXHZOVQK-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001072282933 785968493 /nfs/dbraw/zinc/96/84/93/785968493.db2.gz LUZTVAUMMCSZDN-DOMZBBRYSA-N 1 1 331.420 0.803 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001072335432 786040942 /nfs/dbraw/zinc/04/09/42/786040942.db2.gz DCDHADKMVYBJFT-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001072338340 786043586 /nfs/dbraw/zinc/04/35/86/786043586.db2.gz CSQORDVEXDIROG-LSDHHAIUSA-N 1 1 325.453 0.882 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ccc[nH]4)C3)C2)C1=O ZINC001072466300 786224036 /nfs/dbraw/zinc/22/40/36/786224036.db2.gz VXJLFJNRQBMCFC-OAHLLOKOSA-N 1 1 328.416 0.950 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cccn4C)C3)C2)C1=O ZINC001072479704 786249880 /nfs/dbraw/zinc/24/98/80/786249880.db2.gz BZCVALZILDRLIT-INIZCTEOSA-N 1 1 342.443 0.960 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)c3ccco3)C2)C1=O ZINC001073517692 786452190 /nfs/dbraw/zinc/45/21/90/786452190.db2.gz WQOCHRXNXQSWCN-HUUCEWRRSA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)c3ccco3)C2)C1=O ZINC001073517692 786452193 /nfs/dbraw/zinc/45/21/93/786452193.db2.gz WQOCHRXNXQSWCN-HUUCEWRRSA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2CC1 ZINC001074302964 786636030 /nfs/dbraw/zinc/63/60/30/786636030.db2.gz AARNYUQJVQIJBB-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2CC1 ZINC001074302964 786636035 /nfs/dbraw/zinc/63/60/35/786636035.db2.gz AARNYUQJVQIJBB-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CCOC)nc2C)C1 ZINC001073600900 786745326 /nfs/dbraw/zinc/74/53/26/786745326.db2.gz AJYRYVVBVBHICH-INIZCTEOSA-N 1 1 348.447 0.682 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001073601040 786746967 /nfs/dbraw/zinc/74/69/67/786746967.db2.gz DWWYYOGCJKKMQV-KBPBESRZSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001073601040 786746979 /nfs/dbraw/zinc/74/69/79/786746979.db2.gz DWWYYOGCJKKMQV-KBPBESRZSA-N 1 1 347.419 0.017 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc(OC(C)C)cn2)C1 ZINC001073603850 786755875 /nfs/dbraw/zinc/75/58/75/786755875.db2.gz QEANFPLJFLELBV-CQSZACIVSA-N 1 1 332.404 0.718 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(OC(C)C)cn2)C1 ZINC001073603850 786755880 /nfs/dbraw/zinc/75/58/80/786755880.db2.gz QEANFPLJFLELBV-CQSZACIVSA-N 1 1 332.404 0.718 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001073608387 786763685 /nfs/dbraw/zinc/76/36/85/786763685.db2.gz QBJCFYMIEBHDDJ-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001073608387 786763687 /nfs/dbraw/zinc/76/36/87/786763687.db2.gz QBJCFYMIEBHDDJ-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001073608289 786764104 /nfs/dbraw/zinc/76/41/04/786764104.db2.gz MTLJNSXUHQUBAT-XHSDSOJGSA-N 1 1 326.437 0.557 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cncc3[nH]cnc32)C1 ZINC001073611392 786767731 /nfs/dbraw/zinc/76/77/31/786767731.db2.gz VYCKWGMLALCFBD-CYBMUJFWSA-N 1 1 327.388 0.802 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cncc3[nH]cnc32)C1 ZINC001073611392 786767739 /nfs/dbraw/zinc/76/77/39/786767739.db2.gz VYCKWGMLALCFBD-CYBMUJFWSA-N 1 1 327.388 0.802 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001073633850 786826680 /nfs/dbraw/zinc/82/66/80/786826680.db2.gz IEKDEAFGXPNOGC-ZDUSSCGKSA-N 1 1 343.383 0.585 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001073633850 786826689 /nfs/dbraw/zinc/82/66/89/786826689.db2.gz IEKDEAFGXPNOGC-ZDUSSCGKSA-N 1 1 343.383 0.585 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001073649605 786872949 /nfs/dbraw/zinc/87/29/49/786872949.db2.gz ZRMMFVYBOZXRTL-HNNXBMFYSA-N 1 1 331.416 0.538 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001073649605 786872959 /nfs/dbraw/zinc/87/29/59/786872959.db2.gz ZRMMFVYBOZXRTL-HNNXBMFYSA-N 1 1 331.416 0.538 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001073654290 786880585 /nfs/dbraw/zinc/88/05/85/786880585.db2.gz DIYIPOLJUHPXBN-GJZGRUSLSA-N 1 1 348.447 0.851 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074405946 786881466 /nfs/dbraw/zinc/88/14/66/786881466.db2.gz YNSXFXXMHSJBQR-HOTGVXAUSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074405946 786881477 /nfs/dbraw/zinc/88/14/77/786881477.db2.gz YNSXFXXMHSJBQR-HOTGVXAUSA-N 1 1 346.431 0.995 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001073684679 786968157 /nfs/dbraw/zinc/96/81/57/786968157.db2.gz XLXRHEMTGCFLAA-KBPBESRZSA-N 1 1 330.450 0.204 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001073684679 786968162 /nfs/dbraw/zinc/96/81/62/786968162.db2.gz XLXRHEMTGCFLAA-KBPBESRZSA-N 1 1 330.450 0.204 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001073691461 786979041 /nfs/dbraw/zinc/97/90/41/786979041.db2.gz VIWMFLSYSUTYJT-OAHLLOKOSA-N 1 1 336.436 0.926 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001073703122 787006855 /nfs/dbraw/zinc/00/68/55/787006855.db2.gz GCCDTGWEIYXUJP-ZDUSSCGKSA-N 1 1 347.415 0.962 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001073703080 787007711 /nfs/dbraw/zinc/00/77/11/787007711.db2.gz DOUZVXRYJVGTMO-LSDHHAIUSA-N 1 1 331.420 0.071 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001073703080 787007721 /nfs/dbraw/zinc/00/77/21/787007721.db2.gz DOUZVXRYJVGTMO-LSDHHAIUSA-N 1 1 331.420 0.071 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001073713270 787029400 /nfs/dbraw/zinc/02/94/00/787029400.db2.gz XUHWUKBPNBMKOF-VVLHAWIVSA-N 1 1 336.432 0.268 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3cnco3)C2)C1=O ZINC001073716328 787040159 /nfs/dbraw/zinc/04/01/59/787040159.db2.gz AAHSNZHWWUEPDN-UONOGXRCSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)c3cnco3)C2)C1=O ZINC001073716328 787040168 /nfs/dbraw/zinc/04/01/68/787040168.db2.gz AAHSNZHWWUEPDN-UONOGXRCSA-N 1 1 348.403 0.282 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001073743228 787101718 /nfs/dbraw/zinc/10/17/18/787101718.db2.gz QPTRXDXMLROQRN-UONOGXRCSA-N 1 1 347.381 0.711 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001073743228 787101726 /nfs/dbraw/zinc/10/17/26/787101726.db2.gz QPTRXDXMLROQRN-UONOGXRCSA-N 1 1 347.381 0.711 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074512209 787133198 /nfs/dbraw/zinc/13/31/98/787133198.db2.gz LVKAYSJHFCGXPN-HUUCEWRRSA-N 1 1 337.464 0.763 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nnn(CC)c2CC)C1 ZINC001073762391 787151128 /nfs/dbraw/zinc/15/11/28/787151128.db2.gz AKNKNBRIXWWCOL-CQSZACIVSA-N 1 1 333.436 0.704 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2nnn(CC)c2CC)C1 ZINC001073762391 787151130 /nfs/dbraw/zinc/15/11/30/787151130.db2.gz AKNKNBRIXWWCOL-CQSZACIVSA-N 1 1 333.436 0.704 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001073798297 787222727 /nfs/dbraw/zinc/22/27/27/787222727.db2.gz BNOFMVJLFUFDIG-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001073798297 787222735 /nfs/dbraw/zinc/22/27/35/787222735.db2.gz BNOFMVJLFUFDIG-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)cc1 ZINC001073801490 787229722 /nfs/dbraw/zinc/22/97/22/787229722.db2.gz MJXGPBQYJDSOPW-QGZVFWFLSA-N 1 1 332.400 0.512 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)c3cc(C)[nH]n3)[C@H]2C)C1=O ZINC001074549213 787234024 /nfs/dbraw/zinc/23/40/24/787234024.db2.gz FZSXESPOQYDQEA-IHRRRGAJSA-N 1 1 331.420 0.698 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001074565928 787273193 /nfs/dbraw/zinc/27/31/93/787273193.db2.gz ZFHVLHWJJRIIBB-HOTGVXAUSA-N 1 1 349.475 0.457 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc3ncccn3n2)C1 ZINC001073830035 787295465 /nfs/dbraw/zinc/29/54/65/787295465.db2.gz FLPXAFXBMVQVMW-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3ncccn3n2)C1 ZINC001073830035 787295474 /nfs/dbraw/zinc/29/54/74/787295474.db2.gz FLPXAFXBMVQVMW-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001073850392 787359017 /nfs/dbraw/zinc/35/90/17/787359017.db2.gz BENNFYZMRVBDEY-OAHLLOKOSA-N 1 1 343.431 0.531 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001073850392 787359022 /nfs/dbraw/zinc/35/90/22/787359022.db2.gz BENNFYZMRVBDEY-OAHLLOKOSA-N 1 1 343.431 0.531 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001073850748 787360029 /nfs/dbraw/zinc/36/00/29/787360029.db2.gz KFEYZRSXKLJTGV-MRXNPFEDSA-N 1 1 344.415 0.892 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001073850748 787360041 /nfs/dbraw/zinc/36/00/41/787360041.db2.gz KFEYZRSXKLJTGV-MRXNPFEDSA-N 1 1 344.415 0.892 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001073853637 787365224 /nfs/dbraw/zinc/36/52/24/787365224.db2.gz KQHPACUDKQFPRJ-HUUCEWRRSA-N 1 1 336.436 0.150 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001073853710 787366697 /nfs/dbraw/zinc/36/66/97/787366697.db2.gz LZNOYHHLFKPBAN-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC(O)(CNC(=O)C#CC3CC3)CC2)CC[N@H+]1C ZINC001074603703 787376657 /nfs/dbraw/zinc/37/66/57/787376657.db2.gz UUWISTLEVXPXNY-GDBMZVCRSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccnc2OCC#C)C1 ZINC001073861689 787388048 /nfs/dbraw/zinc/38/80/48/787388048.db2.gz HAFSHZTXROKMKN-MRXNPFEDSA-N 1 1 341.411 0.938 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3ccc(C)nc23)C1 ZINC001073861716 787388239 /nfs/dbraw/zinc/38/82/39/787388239.db2.gz HKIHIRMRXOJDGS-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3ccc(C)nc23)C1 ZINC001073861716 787388249 /nfs/dbraw/zinc/38/82/49/787388249.db2.gz HKIHIRMRXOJDGS-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)OC)CCCO2)cn1 ZINC001073865644 787400808 /nfs/dbraw/zinc/40/08/08/787400808.db2.gz LEMNTHMVBUVMGX-WMLDXEAASA-N 1 1 331.416 0.919 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001073872556 787412473 /nfs/dbraw/zinc/41/24/73/787412473.db2.gz TWOSUCPRPAZQBV-HNNXBMFYSA-N 1 1 341.415 0.812 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001073873467 787416513 /nfs/dbraw/zinc/41/65/13/787416513.db2.gz BNPYOVJCZGSXSQ-CQSZACIVSA-N 1 1 346.431 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CCCC)CC1 ZINC001074627473 787443402 /nfs/dbraw/zinc/44/34/02/787443402.db2.gz NMDRZJDABLCLPV-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CCCC)CC1 ZINC001074627473 787443404 /nfs/dbraw/zinc/44/34/04/787443404.db2.gz NMDRZJDABLCLPV-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C=C(Cl)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001073896421 787466912 /nfs/dbraw/zinc/46/69/12/787466912.db2.gz RTNHAGNIFKTWHN-GJZGRUSLSA-N 1 1 345.871 0.667 20 30 ECEDMO C=C(Cl)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896421 787466916 /nfs/dbraw/zinc/46/69/16/787466916.db2.gz RTNHAGNIFKTWHN-GJZGRUSLSA-N 1 1 345.871 0.667 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001073898977 787472900 /nfs/dbraw/zinc/47/29/00/787472900.db2.gz IBDBMBFWQMFVSZ-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001073898977 787472905 /nfs/dbraw/zinc/47/29/05/787472905.db2.gz IBDBMBFWQMFVSZ-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001074657527 787525606 /nfs/dbraw/zinc/52/56/06/787525606.db2.gz PKWTUZAXNRBYSA-SFHVURJKSA-N 1 1 349.475 0.908 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)C#CC2CC2)[C@@H](C)C1 ZINC001073955285 787578369 /nfs/dbraw/zinc/57/83/69/787578369.db2.gz TZIBWMXRVSGJBX-BBRMVZONSA-N 1 1 328.416 0.958 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001073971009 787607844 /nfs/dbraw/zinc/60/78/44/787607844.db2.gz CYUGQYXZYMNPGD-GOEBONIOSA-N 1 1 346.431 0.585 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001074706456 787648028 /nfs/dbraw/zinc/64/80/28/787648028.db2.gz KZWLAAGHJOXYKZ-ZDUSSCGKSA-N 1 1 338.452 0.346 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)C[C@@H]1C ZINC001074089335 787852676 /nfs/dbraw/zinc/85/26/76/787852676.db2.gz CFRDZXLITPSPOY-UONOGXRCSA-N 1 1 340.493 0.938 20 30 ECEDMO C#CCC[N@@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC001074108605 787895660 /nfs/dbraw/zinc/89/56/60/787895660.db2.gz WYPLVXJQLJIQMM-CQSZACIVSA-N 1 1 345.447 0.858 20 30 ECEDMO C#CCC[N@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC001074108605 787895669 /nfs/dbraw/zinc/89/56/69/787895669.db2.gz WYPLVXJQLJIQMM-CQSZACIVSA-N 1 1 345.447 0.858 20 30 ECEDMO C=CC[N@@H+]1CCn2c(nnc2C2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001074111441 787900320 /nfs/dbraw/zinc/90/03/20/787900320.db2.gz QXBOZTQPMBVUJQ-UHFFFAOYSA-N 1 1 342.407 0.418 20 30 ECEDMO C=CC[N@H+]1CCn2c(nnc2C2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001074111441 787900325 /nfs/dbraw/zinc/90/03/25/787900325.db2.gz QXBOZTQPMBVUJQ-UHFFFAOYSA-N 1 1 342.407 0.418 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N2CCC2)C3)c[nH]1 ZINC001072639889 788484048 /nfs/dbraw/zinc/48/40/48/788484048.db2.gz XESCPSQBJIBNIV-UHFFFAOYSA-N 1 1 327.388 0.267 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2 ZINC001072748226 788707042 /nfs/dbraw/zinc/70/70/42/788707042.db2.gz XRICYALNMIXZMM-XHSDSOJGSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C2)C1 ZINC001072771231 788761463 /nfs/dbraw/zinc/76/14/63/788761463.db2.gz LRLOBYIVIZIUTN-INIZCTEOSA-N 1 1 329.444 0.803 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C2)C1 ZINC001072817226 788877801 /nfs/dbraw/zinc/87/78/01/788877801.db2.gz ZFOCGUBWJTTZKX-UHFFFAOYSA-N 1 1 325.368 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3c3ncccn3)C2)C1 ZINC001072827633 788904314 /nfs/dbraw/zinc/90/43/14/788904314.db2.gz RZPLMLXDAAWBDX-HNNXBMFYSA-N 1 1 325.416 0.613 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001072903006 789076105 /nfs/dbraw/zinc/07/61/05/789076105.db2.gz KTDXMOCOOGYENY-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)C4(C(N)=O)CC4)C3)C2)c1 ZINC001072936251 789137529 /nfs/dbraw/zinc/13/75/29/789137529.db2.gz WVIDRPBGMBHBGG-UHFFFAOYSA-N 1 1 338.411 0.858 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H](OC)C(C)C)C3)C2)C1=O ZINC001072944893 789149067 /nfs/dbraw/zinc/14/90/67/789149067.db2.gz NINUZSYVEQGFSC-HZPDHXFCSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001075397303 789323970 /nfs/dbraw/zinc/32/39/70/789323970.db2.gz KHCFPMRIVXTQIM-CABCVRRESA-N 1 1 333.436 0.909 20 30 ECEDMO C#CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC001075408438 789333494 /nfs/dbraw/zinc/33/34/94/789333494.db2.gz GIYGUCWFGSWDJS-MAUKXSAKSA-N 1 1 345.447 0.746 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cccnn4)C3)C2)C1=O ZINC001073071434 789388773 /nfs/dbraw/zinc/38/87/73/789388773.db2.gz XGDQVLPFSAIVAA-OAHLLOKOSA-N 1 1 341.415 0.411 20 30 ECEDMO C=CC[N@H+]1CCC2(CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)C1 ZINC001073089032 789424854 /nfs/dbraw/zinc/42/48/54/789424854.db2.gz DSXRUJHWDIVBDJ-AWEZNQCLSA-N 1 1 331.420 0.649 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001073112094 789461294 /nfs/dbraw/zinc/46/12/94/789461294.db2.gz KWDDWXCYPRAWBS-UHFFFAOYSA-N 1 1 336.399 0.953 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001073112094 789461297 /nfs/dbraw/zinc/46/12/97/789461297.db2.gz KWDDWXCYPRAWBS-UHFFFAOYSA-N 1 1 336.399 0.953 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C2)C1 ZINC001073112349 789462179 /nfs/dbraw/zinc/46/21/79/789462179.db2.gz YKLVGLFWMNQRKL-UHFFFAOYSA-N 1 1 338.415 0.981 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)c1 ZINC001073136717 789509310 /nfs/dbraw/zinc/50/93/10/789509310.db2.gz ZQFPMPMKWNJMCK-INIZCTEOSA-N 1 1 338.411 0.871 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C)n[nH]4)[C@@H]3C2)C1=O ZINC001075587422 789536161 /nfs/dbraw/zinc/53/61/61/789536161.db2.gz BPWNUHYFZQPXAT-CWRNSKLLSA-N 1 1 343.431 0.651 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)[nH]n4)[C@@H]3C2)C1=O ZINC001075587422 789536168 /nfs/dbraw/zinc/53/61/68/789536168.db2.gz BPWNUHYFZQPXAT-CWRNSKLLSA-N 1 1 343.431 0.651 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C)[nH]n4)[C@@H]3C2)C1=O ZINC001075587422 789536171 /nfs/dbraw/zinc/53/61/71/789536171.db2.gz BPWNUHYFZQPXAT-CWRNSKLLSA-N 1 1 343.431 0.651 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NC(=O)CSCC#N)CC1 ZINC001073183088 789585638 /nfs/dbraw/zinc/58/56/38/789585638.db2.gz NIMXGNQEOCTWBO-CYBMUJFWSA-N 1 1 338.477 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cccn1C ZINC001075636735 789601861 /nfs/dbraw/zinc/60/18/61/789601861.db2.gz BMUVPHBVOYWNGD-HOCLYGCPSA-N 1 1 330.432 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cccn1C ZINC001075636735 789601863 /nfs/dbraw/zinc/60/18/63/789601863.db2.gz BMUVPHBVOYWNGD-HOCLYGCPSA-N 1 1 330.432 0.747 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)c1 ZINC001075658838 789625215 /nfs/dbraw/zinc/62/52/15/789625215.db2.gz VONPAKAYMYEFBX-DZGCQCFKSA-N 1 1 325.376 0.324 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001073260367 789668078 /nfs/dbraw/zinc/66/80/78/789668078.db2.gz HWKCADPQJXMGMC-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001073392929 789784262 /nfs/dbraw/zinc/78/42/62/789784262.db2.gz AZKLBLOGWAXHPP-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001073393880 789785689 /nfs/dbraw/zinc/78/56/89/789785689.db2.gz QSDAGBSKMOHJLI-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001073492082 789899968 /nfs/dbraw/zinc/89/99/68/789899968.db2.gz UOHUJAFBDCPECB-LLVKDONJSA-N 1 1 325.796 0.326 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001073492082 789899975 /nfs/dbraw/zinc/89/99/75/789899975.db2.gz UOHUJAFBDCPECB-LLVKDONJSA-N 1 1 325.796 0.326 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H](Nc3ccncc3C#N)C(C)(C)C2)C1 ZINC001069572231 789908015 /nfs/dbraw/zinc/90/80/15/789908015.db2.gz PQDPTTRTYGGWCW-BBRMVZONSA-N 1 1 327.432 0.976 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069892817 790161224 /nfs/dbraw/zinc/16/12/24/790161224.db2.gz QVVRQEMPZLMZLV-KGLIPLIRSA-N 1 1 343.391 0.395 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069900439 790168151 /nfs/dbraw/zinc/16/81/51/790168151.db2.gz FJTMDCVRWNAVAE-CABCVRRESA-N 1 1 329.408 0.551 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@@H](n2ccnn2)C1 ZINC001069902736 790171983 /nfs/dbraw/zinc/17/19/83/790171983.db2.gz MFLRQIFYSZLBAA-OAGGEKHMSA-N 1 1 332.452 0.680 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2n2ccnn2)c1 ZINC001069907699 790176412 /nfs/dbraw/zinc/17/64/12/790176412.db2.gz KGEKCNCNUXVAQA-CVEARBPZSA-N 1 1 339.403 0.933 20 30 ECEDMO CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907560 790176554 /nfs/dbraw/zinc/17/65/54/790176554.db2.gz BTPNAXFRYLVNMB-CABCVRRESA-N 1 1 327.392 0.933 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069910039 790178911 /nfs/dbraw/zinc/17/89/11/790178911.db2.gz BSIXHTBXIMMRKD-ZNMIVQPWSA-N 1 1 347.419 0.539 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001069917466 790186901 /nfs/dbraw/zinc/18/69/01/790186901.db2.gz SLTLTPHKECOWRZ-CABCVRRESA-N 1 1 341.419 0.998 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069944305 790221998 /nfs/dbraw/zinc/22/19/98/790221998.db2.gz IVCUQRFJRHZYEI-CVEARBPZSA-N 1 1 343.435 0.480 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001069951231 790231845 /nfs/dbraw/zinc/23/18/45/790231845.db2.gz CRUUWVKQJGGKIL-NEPJUHHUSA-N 1 1 331.380 0.247 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001069960445 790243382 /nfs/dbraw/zinc/24/33/82/790243382.db2.gz ZPFPIPOCIBAXFD-CABCVRRESA-N 1 1 340.387 0.218 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001069960445 790243387 /nfs/dbraw/zinc/24/33/87/790243387.db2.gz ZPFPIPOCIBAXFD-CABCVRRESA-N 1 1 340.387 0.218 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H](n2ccnn2)C1 ZINC001069966073 790253224 /nfs/dbraw/zinc/25/32/24/790253224.db2.gz UYZMNNCKYPVXSV-CABCVRRESA-N 1 1 341.419 0.580 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H](n2ccnn2)C1 ZINC001069966073 790253227 /nfs/dbraw/zinc/25/32/27/790253227.db2.gz UYZMNNCKYPVXSV-CABCVRRESA-N 1 1 341.419 0.580 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H](n2ccnn2)C1 ZINC001069966982 790254121 /nfs/dbraw/zinc/25/41/21/790254121.db2.gz GHYQUQDJCSJDTH-CVEARBPZSA-N 1 1 341.419 0.632 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H](n2ccnn2)C1 ZINC001069966982 790254124 /nfs/dbraw/zinc/25/41/24/790254124.db2.gz GHYQUQDJCSJDTH-CVEARBPZSA-N 1 1 341.419 0.632 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2 ZINC001068861043 791289118 /nfs/dbraw/zinc/28/91/18/791289118.db2.gz XSEGTCLMWZNTNZ-HNNXBMFYSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)C[C@H](NC(=O)C#CC(C)(C)C)CO3)C1 ZINC001068862280 791291831 /nfs/dbraw/zinc/29/18/31/791291831.db2.gz AZVBQOFNVQMUTR-GJZGRUSLSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001068873264 791317630 /nfs/dbraw/zinc/31/76/30/791317630.db2.gz BCZVZLHOZCDVLA-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCOCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@H+](C)C(C)C)CO2 ZINC001068899056 791367128 /nfs/dbraw/zinc/36/71/28/791367128.db2.gz FHVBLJYVBRDUOH-AWEZNQCLSA-N 1 1 339.436 0.015 20 30 ECEDMO C[C@@H]1[C@@H](Nc2ccnc(C#N)n2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001068944848 791479776 /nfs/dbraw/zinc/47/97/76/791479776.db2.gz BIPUZLLJZLXUDH-KGLIPLIRSA-N 1 1 342.447 0.903 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001069039578 791634740 /nfs/dbraw/zinc/63/47/40/791634740.db2.gz PFJURIGEHVLDOE-OAHLLOKOSA-N 1 1 333.432 0.228 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)CO2 ZINC001069040098 791636446 /nfs/dbraw/zinc/63/64/46/791636446.db2.gz LEOSVESHGQNNOY-HOTGVXAUSA-N 1 1 347.459 0.474 20 30 ECEDMO Cc1cc(N2C[C@H](O)[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nc(C)[nH+]1 ZINC001067667313 791993851 /nfs/dbraw/zinc/99/38/51/791993851.db2.gz KXOYJSRBFSGHQK-WFASDCNBSA-N 1 1 340.387 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2nccnc2F)C1 ZINC001066690231 792000069 /nfs/dbraw/zinc/00/00/69/792000069.db2.gz RJOSNWROTYVTJO-KBPBESRZSA-N 1 1 347.394 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2nccnc2F)C1 ZINC001066690231 792000079 /nfs/dbraw/zinc/00/00/79/792000079.db2.gz RJOSNWROTYVTJO-KBPBESRZSA-N 1 1 347.394 0.353 20 30 ECEDMO CC(C)C(=O)N1CC[C@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066698568 792018862 /nfs/dbraw/zinc/01/88/62/792018862.db2.gz MPBHDGOTOGZDKH-AWEZNQCLSA-N 1 1 328.420 0.727 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)CC1 ZINC001066728833 792053577 /nfs/dbraw/zinc/05/35/77/792053577.db2.gz GYXADWRJDWGIKT-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1csnn1 ZINC001067709386 792165241 /nfs/dbraw/zinc/16/52/41/792165241.db2.gz QJUAAKWLOHVZOV-AWEZNQCLSA-N 1 1 349.460 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1csnn1 ZINC001067709386 792165245 /nfs/dbraw/zinc/16/52/45/792165245.db2.gz QJUAAKWLOHVZOV-AWEZNQCLSA-N 1 1 349.460 0.556 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(Nc3cnc(C#N)cn3)C2)C1 ZINC001066906347 792341303 /nfs/dbraw/zinc/34/13/03/792341303.db2.gz QWXUBCVARYIWEV-SUMWQHHRSA-N 1 1 344.419 0.065 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(Nc3ccc(C#N)nn3)C2)C1 ZINC001066906484 792342680 /nfs/dbraw/zinc/34/26/80/792342680.db2.gz VAALNGAFYQUZQB-GUYCJALGSA-N 1 1 344.419 0.065 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(CNc3ccnc(C#N)n3)C2)C1 ZINC001067889033 792427422 /nfs/dbraw/zinc/42/74/22/792427422.db2.gz LXQOJKWFXFUGHJ-IYXRBSQSSA-N 1 1 328.420 0.419 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CC(CNc3cnc(C#N)cn3)C2)C1 ZINC001067888746 792427466 /nfs/dbraw/zinc/42/74/66/792427466.db2.gz ABNJMFYCALMPAJ-HSBZDZAISA-N 1 1 328.420 0.997 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001067009226 792565290 /nfs/dbraw/zinc/56/52/90/792565290.db2.gz MPEQEKUXVKNDNW-RHSMWYFYSA-N 1 1 325.453 0.715 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(c2cncc(C#N)n2)CC1(C)C ZINC001068098659 792668525 /nfs/dbraw/zinc/66/85/25/792668525.db2.gz GOHJQDBETOLDEN-KBPBESRZSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001068161845 792763292 /nfs/dbraw/zinc/76/32/92/792763292.db2.gz GMYKZXZTAALLEK-PNBKFKSVSA-N 1 1 341.415 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001068161845 792763299 /nfs/dbraw/zinc/76/32/99/792763299.db2.gz GMYKZXZTAALLEK-PNBKFKSVSA-N 1 1 341.415 0.082 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)C1 ZINC001068176078 792788993 /nfs/dbraw/zinc/78/89/93/792788993.db2.gz ZMMSFQOTAPFESU-NGFQHRJXSA-N 1 1 326.404 0.098 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3nccc(C)n3)C[C@H]21 ZINC001068209361 792831850 /nfs/dbraw/zinc/83/18/50/792831850.db2.gz XUTYRHXTFWHQCA-NXOAAHMSSA-N 1 1 339.443 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3nccc(C)n3)C[C@H]21 ZINC001068209361 792831858 /nfs/dbraw/zinc/83/18/58/792831858.db2.gz XUTYRHXTFWHQCA-NXOAAHMSSA-N 1 1 339.443 0.681 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068346535 793094459 /nfs/dbraw/zinc/09/44/59/793094459.db2.gz UIZMYVJVUWJBPB-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1C ZINC001067400820 793101236 /nfs/dbraw/zinc/10/12/36/793101236.db2.gz GNIICZUBBCJDFO-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1C ZINC001067401365 793101404 /nfs/dbraw/zinc/10/14/04/793101404.db2.gz MWNNRNRJNADQBR-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001068357272 793120014 /nfs/dbraw/zinc/12/00/14/793120014.db2.gz VXMZODAZBSHLFS-HNNXBMFYSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001067427076 793140003 /nfs/dbraw/zinc/14/00/03/793140003.db2.gz JCUQMHLAQUEUAY-MRXNPFEDSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001067427342 793140792 /nfs/dbraw/zinc/14/07/92/793140792.db2.gz UVFGXHVXIHPUBS-JKSUJKDBSA-N 1 1 337.464 0.673 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001068399087 793216296 /nfs/dbraw/zinc/21/62/96/793216296.db2.gz PSNPNRMSSFLDEF-HNNXBMFYSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001068399351 793218131 /nfs/dbraw/zinc/21/81/31/793218131.db2.gz ZNPJDYHVAGWBLP-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)CC[NH2+]Cc2nnc3n2CCCC3)c1 ZINC001267425922 837398189 /nfs/dbraw/zinc/39/81/89/837398189.db2.gz LGRMINZVERTSCK-UHFFFAOYSA-N 1 1 338.415 0.853 20 30 ECEDMO Cc1nc(C)c(C(=O)NCCC[N@@H+](CC(=O)NCC#N)C(C)C)o1 ZINC001267498910 837571779 /nfs/dbraw/zinc/57/17/79/837571779.db2.gz DCPLXYOTFWGXDT-UHFFFAOYSA-N 1 1 335.408 0.762 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)C(=O)C(C)(C)C)C1 ZINC001267513146 837605281 /nfs/dbraw/zinc/60/52/81/837605281.db2.gz DRPNAYIOQGCVAT-KBPBESRZSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2nn(C)cc2C)C1 ZINC001267531659 837705279 /nfs/dbraw/zinc/70/52/79/837705279.db2.gz WNWWNJVMMNJDJR-HUUCEWRRSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267539758 837724705 /nfs/dbraw/zinc/72/47/05/837724705.db2.gz JPKIRMMIVQHFEF-HOCLYGCPSA-N 1 1 343.431 0.541 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267539758 837724711 /nfs/dbraw/zinc/72/47/11/837724711.db2.gz JPKIRMMIVQHFEF-HOCLYGCPSA-N 1 1 343.431 0.541 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2cnn3c2OCCC3)C1 ZINC001267543875 837732333 /nfs/dbraw/zinc/73/23/33/837732333.db2.gz GYEKJNYGOVVWEY-OAHLLOKOSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccccn2)C1 ZINC001267549808 837749101 /nfs/dbraw/zinc/74/91/01/837749101.db2.gz JGZXFZYLQJYRJI-HUUCEWRRSA-N 1 1 328.416 0.661 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)c2cc(C3CC3)on2)C1 ZINC001267551750 837753133 /nfs/dbraw/zinc/75/31/33/837753133.db2.gz HNBKMVMIHDQBCE-LBPRGKRZSA-N 1 1 345.403 0.634 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cc(F)c[nH]2)C1 ZINC001267552292 837757081 /nfs/dbraw/zinc/75/70/81/837757081.db2.gz MBLVOHKFODXLOM-STQMWFEESA-N 1 1 334.395 0.734 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cc(C)ncn2)C1 ZINC001267554173 837758157 /nfs/dbraw/zinc/75/81/57/837758157.db2.gz QRLDODAJJWKSRW-LSDHHAIUSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)CSC)C1 ZINC001267554054 837758838 /nfs/dbraw/zinc/75/88/38/837758838.db2.gz DUJKDUYKAIYGJI-UONOGXRCSA-N 1 1 325.478 0.563 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC001267555509 837762447 /nfs/dbraw/zinc/76/24/47/837762447.db2.gz HCJUEYZLCQIUED-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001267557120 837764639 /nfs/dbraw/zinc/76/46/39/837764639.db2.gz YYDWBBADYSWZAT-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CCNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001267559924 837769073 /nfs/dbraw/zinc/76/90/73/837769073.db2.gz AZORGMONOMUYJA-AWEZNQCLSA-N 1 1 346.431 0.980 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](CCNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001267559514 837769643 /nfs/dbraw/zinc/76/96/43/837769643.db2.gz WFNOCUGBPKHWLH-CYBMUJFWSA-N 1 1 344.419 0.997 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(COC)o2)C1 ZINC001267560711 837771608 /nfs/dbraw/zinc/77/16/08/837771608.db2.gz LUGAQAIQHXWGPU-CQSZACIVSA-N 1 1 347.415 0.617 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2Cc3ccccc32)C1 ZINC001267564060 837779507 /nfs/dbraw/zinc/77/95/07/837779507.db2.gz LNOFLNAKISKTKC-PBHICJAKSA-N 1 1 340.427 0.794 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2nccn3ccnc23)C1 ZINC001267564826 837780817 /nfs/dbraw/zinc/78/08/17/837780817.db2.gz FVDPAUOPOAGURF-OAHLLOKOSA-N 1 1 341.415 0.821 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC2(F)F)CC1 ZINC001267572325 837809594 /nfs/dbraw/zinc/80/95/94/837809594.db2.gz JJKKKGJVHMVLHY-AWEZNQCLSA-N 1 1 329.391 0.367 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2ccc3c(c2)nnn3C)CC1 ZINC001267573064 837812659 /nfs/dbraw/zinc/81/26/59/837812659.db2.gz HOVHUIYCGFXSFM-UHFFFAOYSA-N 1 1 340.431 0.291 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001267573692 837816321 /nfs/dbraw/zinc/81/63/21/837816321.db2.gz XJFMZYOLHVWVLL-UHFFFAOYSA-N 1 1 325.416 0.886 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)CC(C)C)C1 ZINC001266254473 835560206 /nfs/dbraw/zinc/56/02/06/835560206.db2.gz KLJQIQHIJWGSON-INIZCTEOSA-N 1 1 337.464 0.769 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)CCNC(=O)CC(C)C)C1 ZINC001266254473 835560211 /nfs/dbraw/zinc/56/02/11/835560211.db2.gz KLJQIQHIJWGSON-INIZCTEOSA-N 1 1 337.464 0.769 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccnn1C ZINC001266261854 835572194 /nfs/dbraw/zinc/57/21/94/835572194.db2.gz AQYLAFKPOMZCNS-CQSZACIVSA-N 1 1 335.452 0.895 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccnn1C ZINC001266261854 835572201 /nfs/dbraw/zinc/57/22/01/835572201.db2.gz AQYLAFKPOMZCNS-CQSZACIVSA-N 1 1 335.452 0.895 20 30 ECEDMO C=CCCC(=O)NCC[N@@H+](C)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC001266262593 835573817 /nfs/dbraw/zinc/57/38/17/835573817.db2.gz QFHHDUMEYSXBAR-CQSZACIVSA-N 1 1 333.436 0.848 20 30 ECEDMO C=CCCC(=O)NCC[N@H+](C)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC001266262593 835573823 /nfs/dbraw/zinc/57/38/23/835573823.db2.gz QFHHDUMEYSXBAR-CQSZACIVSA-N 1 1 333.436 0.848 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)c2ncnc3[nH]ccc32)CC1 ZINC001266266787 835582275 /nfs/dbraw/zinc/58/22/75/835582275.db2.gz CYHCWIMCLYZMED-UHFFFAOYSA-N 1 1 327.392 0.171 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)[C@@]23CCO[C@H]2CCCC3)CC1 ZINC001266267015 835583461 /nfs/dbraw/zinc/58/34/61/835583461.db2.gz LBTYLDZUSWHQKU-WMZOPIPTSA-N 1 1 334.464 0.983 20 30 ECEDMO Cc1ccn2ncc(C(=O)NCCC[NH+]3CCN(CC#N)CC3)c2n1 ZINC001266275842 835600353 /nfs/dbraw/zinc/60/03/53/835600353.db2.gz OKPUBTQSUINLST-UHFFFAOYSA-N 1 1 341.419 0.299 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 ZINC001266289907 835633438 /nfs/dbraw/zinc/63/34/38/835633438.db2.gz HARVWONLTHHCTB-HNNXBMFYSA-N 1 1 336.480 0.294 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1c(F)cccc1F ZINC001266314221 835682517 /nfs/dbraw/zinc/68/25/17/835682517.db2.gz UDDAANGNEXTZBC-GFCCVEGCSA-N 1 1 337.370 0.693 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1c(F)cccc1F ZINC001266314221 835682523 /nfs/dbraw/zinc/68/25/23/835682523.db2.gz UDDAANGNEXTZBC-GFCCVEGCSA-N 1 1 337.370 0.693 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001266317115 835685841 /nfs/dbraw/zinc/68/58/41/835685841.db2.gz MCTXYPXSZOKXMO-KBPBESRZSA-N 1 1 348.451 0.432 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001266317115 835685843 /nfs/dbraw/zinc/68/58/43/835685843.db2.gz MCTXYPXSZOKXMO-KBPBESRZSA-N 1 1 348.451 0.432 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001266317909 835686625 /nfs/dbraw/zinc/68/66/25/835686625.db2.gz WEATUUBVNSHOJG-CQSZACIVSA-N 1 1 327.450 0.016 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001266317909 835686632 /nfs/dbraw/zinc/68/66/32/835686632.db2.gz WEATUUBVNSHOJG-CQSZACIVSA-N 1 1 327.450 0.016 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1 ZINC001266320519 835692177 /nfs/dbraw/zinc/69/21/77/835692177.db2.gz BUCUGFSRPPLFSJ-ZBFHGGJFSA-N 1 1 335.448 0.522 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1 ZINC001266320519 835692182 /nfs/dbraw/zinc/69/21/82/835692182.db2.gz BUCUGFSRPPLFSJ-ZBFHGGJFSA-N 1 1 335.448 0.522 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001266322854 835697294 /nfs/dbraw/zinc/69/72/94/835697294.db2.gz PDFNFBSZQZBODA-JTQLQIEISA-N 1 1 330.310 0.882 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001266322854 835697295 /nfs/dbraw/zinc/69/72/95/835697295.db2.gz PDFNFBSZQZBODA-JTQLQIEISA-N 1 1 330.310 0.882 20 30 ECEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001266333472 835716104 /nfs/dbraw/zinc/71/61/04/835716104.db2.gz NXOOMVIHQSMWOB-AWEZNQCLSA-N 1 1 329.404 0.653 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccc(C)s2)C1 ZINC001266355762 835759589 /nfs/dbraw/zinc/75/95/89/835759589.db2.gz NPKPHLIHCWEGKD-CQSZACIVSA-N 1 1 349.456 0.627 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccc(C)s2)C1 ZINC001266355762 835759596 /nfs/dbraw/zinc/75/95/96/835759596.db2.gz NPKPHLIHCWEGKD-CQSZACIVSA-N 1 1 349.456 0.627 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1csc2nccn12 ZINC001266357802 835763729 /nfs/dbraw/zinc/76/37/29/835763729.db2.gz GMKQRXYJVRXTOY-LBPRGKRZSA-N 1 1 349.460 0.677 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1csc2nccn12 ZINC001266357802 835763737 /nfs/dbraw/zinc/76/37/37/835763737.db2.gz GMKQRXYJVRXTOY-LBPRGKRZSA-N 1 1 349.460 0.677 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@H+](C[C@H](CC)OC)C1 ZINC001266361685 835771808 /nfs/dbraw/zinc/77/18/08/835771808.db2.gz QDAAFJBIIRFNDZ-KBPBESRZSA-N 1 1 340.468 0.866 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCCO2)CC1 ZINC001266365985 835778166 /nfs/dbraw/zinc/77/81/66/835778166.db2.gz KZIKHLXYKSFKRM-KGLIPLIRSA-N 1 1 334.420 0.166 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ncnc2sccc21)CC(=O)NCC#N ZINC001266391128 835799317 /nfs/dbraw/zinc/79/93/17/835799317.db2.gz ZZMFHKBGEXEOLO-UHFFFAOYSA-N 1 1 346.416 0.383 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ncnc2sccc21)CC(=O)NCC#N ZINC001266391128 835799332 /nfs/dbraw/zinc/79/93/32/835799332.db2.gz ZZMFHKBGEXEOLO-UHFFFAOYSA-N 1 1 346.416 0.383 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)C1(c2ccccn2)CC1 ZINC001266391020 835799782 /nfs/dbraw/zinc/79/97/82/835799782.db2.gz WHMVYNWHOXRYRS-HNNXBMFYSA-N 1 1 342.443 0.689 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)C1(c2ccccn2)CC1 ZINC001266391020 835799792 /nfs/dbraw/zinc/79/97/92/835799792.db2.gz WHMVYNWHOXRYRS-HNNXBMFYSA-N 1 1 342.443 0.689 20 30 ECEDMO COCC#CC[N@@H+]1C[C@H]2CN(C(=O)C(=O)N3CCC(C)CC3)C[C@H]2C1 ZINC001279396722 835814419 /nfs/dbraw/zinc/81/44/19/835814419.db2.gz YEPXTGONSFXREX-CALCHBBNSA-N 1 1 347.459 0.285 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1ccn(C)c1CC ZINC001266418395 835823798 /nfs/dbraw/zinc/82/37/98/835823798.db2.gz YHQNKUKJWFWHKS-CQSZACIVSA-N 1 1 332.448 0.777 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1ccn(C)c1CC ZINC001266418395 835823805 /nfs/dbraw/zinc/82/38/05/835823805.db2.gz YHQNKUKJWFWHKS-CQSZACIVSA-N 1 1 332.448 0.777 20 30 ECEDMO C=CCCC(=O)N1CC[C@]2(C1)C[N@H+](CCOCCOC)CCO2 ZINC001282773515 835829609 /nfs/dbraw/zinc/82/96/09/835829609.db2.gz CRDZAHJPPGGMOV-QGZVFWFLSA-N 1 1 326.437 0.919 20 30 ECEDMO C=CCCC(=O)N1CC[C@]2(C1)C[N@@H+](CCOCCOC)CCO2 ZINC001282773515 835829616 /nfs/dbraw/zinc/82/96/16/835829616.db2.gz CRDZAHJPPGGMOV-QGZVFWFLSA-N 1 1 326.437 0.919 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC001266448975 835852806 /nfs/dbraw/zinc/85/28/06/835852806.db2.gz WZVZJVKDPIINFS-HZPDHXFCSA-N 1 1 345.447 0.364 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001266452497 835854912 /nfs/dbraw/zinc/85/49/12/835854912.db2.gz OIHARHOPRDBDSP-AWEZNQCLSA-N 1 1 332.466 0.404 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001266469205 835871536 /nfs/dbraw/zinc/87/15/36/835871536.db2.gz GTMLGMUYOXXJCN-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001266471082 835873008 /nfs/dbraw/zinc/87/30/08/835873008.db2.gz HYMJUCNPUZDYND-MRXNPFEDSA-N 1 1 330.432 0.992 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001266471082 835873012 /nfs/dbraw/zinc/87/30/12/835873012.db2.gz HYMJUCNPUZDYND-MRXNPFEDSA-N 1 1 330.432 0.992 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001266471169 835874125 /nfs/dbraw/zinc/87/41/25/835874125.db2.gz JUYVPGDEPBHRMX-GJZGRUSLSA-N 1 1 338.452 0.560 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC001266482524 835882771 /nfs/dbraw/zinc/88/27/71/835882771.db2.gz CVTWLFDYVBTGKN-LSDHHAIUSA-N 1 1 345.447 0.544 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC001266482524 835882774 /nfs/dbraw/zinc/88/27/74/835882774.db2.gz CVTWLFDYVBTGKN-LSDHHAIUSA-N 1 1 345.447 0.544 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NS(=O)(=O)CC ZINC001266486800 835887078 /nfs/dbraw/zinc/88/70/78/835887078.db2.gz UYWKHXSPQRWNIY-MELADBBJSA-N 1 1 329.466 0.566 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NS(=O)(=O)CC ZINC001266486800 835887087 /nfs/dbraw/zinc/88/70/87/835887087.db2.gz UYWKHXSPQRWNIY-MELADBBJSA-N 1 1 329.466 0.566 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C[C@H](C)OC)C2)CC1 ZINC001266502006 835903510 /nfs/dbraw/zinc/90/35/10/835903510.db2.gz RVHFBMHEFDLKQN-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC001266506419 835907988 /nfs/dbraw/zinc/90/79/88/835907988.db2.gz WRBUREDIXYLILD-AWEZNQCLSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccc3ncnn32)C1 ZINC001266520187 835932862 /nfs/dbraw/zinc/93/28/62/835932862.db2.gz HPYQHTHAZWSLLG-ZDUSSCGKSA-N 1 1 342.403 0.083 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2ncccc2F)C1 ZINC001266527843 835942762 /nfs/dbraw/zinc/94/27/62/835942762.db2.gz FKMAOQFESSMVRQ-KGLIPLIRSA-N 1 1 348.422 0.892 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001266528225 835944321 /nfs/dbraw/zinc/94/43/21/835944321.db2.gz LTIKPEISFYJKEN-LBPRGKRZSA-N 1 1 344.390 0.901 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001266528225 835944328 /nfs/dbraw/zinc/94/43/28/835944328.db2.gz LTIKPEISFYJKEN-LBPRGKRZSA-N 1 1 344.390 0.901 20 30 ECEDMO CCCN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC#CCOC)C2)CC1=O ZINC001266537108 835955400 /nfs/dbraw/zinc/95/54/00/835955400.db2.gz FIEURLCWOTWRKS-HOTGVXAUSA-N 1 1 335.448 0.333 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001266537888 835957498 /nfs/dbraw/zinc/95/74/98/835957498.db2.gz UIVFMNNWFFXYHA-ZIAGYGMSSA-N 1 1 348.447 0.490 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)COCc2ccncc2)C1 ZINC001266539710 835960593 /nfs/dbraw/zinc/96/05/93/835960593.db2.gz GXHLZFFBIRQFLG-QGZVFWFLSA-N 1 1 331.416 0.686 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001266545237 835967035 /nfs/dbraw/zinc/96/70/35/835967035.db2.gz NXOVXRXLOZXYOM-QAPCUYQASA-N 1 1 339.439 0.879 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC(C)C)C2)nc1 ZINC001266545884 835967818 /nfs/dbraw/zinc/96/78/18/835967818.db2.gz QXSSUCHYGPBRNH-MRXNPFEDSA-N 1 1 342.443 0.887 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2nc(C)c(C)s2)C1 ZINC001266549123 835972108 /nfs/dbraw/zinc/97/21/08/835972108.db2.gz OCCKUUNBORCILN-JSGCOSHPSA-N 1 1 348.472 0.950 20 30 ECEDMO C=C[C@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)c1ccccc1 ZINC001266549315 835972687 /nfs/dbraw/zinc/97/26/87/835972687.db2.gz SMBSTTRUDUFLCM-HIFRSBDPSA-N 1 1 344.415 0.589 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CCC)[C@@H]2CCC(=O)NC2=O)c1 ZINC001266571318 836001147 /nfs/dbraw/zinc/00/11/47/836001147.db2.gz PRCSDYNLSZTVOI-OAHLLOKOSA-N 1 1 342.399 0.310 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCNC(=O)[C@@H](C)n2cncn2)C2CC2)C1=O ZINC001266588053 836018932 /nfs/dbraw/zinc/01/89/32/836018932.db2.gz ILJGKBXGNTVMFG-UKRRQHHQSA-N 1 1 346.435 0.207 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCNC(=O)[C@@H](C)n2cncn2)C2CC2)C1=O ZINC001266588053 836018941 /nfs/dbraw/zinc/01/89/41/836018941.db2.gz ILJGKBXGNTVMFG-UKRRQHHQSA-N 1 1 346.435 0.207 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cncc(F)c1)C1CC1 ZINC001266588638 836019329 /nfs/dbraw/zinc/01/93/29/836019329.db2.gz UZMZRKGVOXKWGN-GFCCVEGCSA-N 1 1 332.379 0.553 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cncc(F)c1)C1CC1 ZINC001266588638 836019341 /nfs/dbraw/zinc/01/93/41/836019341.db2.gz UZMZRKGVOXKWGN-GFCCVEGCSA-N 1 1 332.379 0.553 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001266624389 836059926 /nfs/dbraw/zinc/05/99/26/836059926.db2.gz BIDIYOATIADWEF-IHRRRGAJSA-N 1 1 349.435 0.840 20 30 ECEDMO C#CCOCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCCC1=O ZINC001266648209 836082607 /nfs/dbraw/zinc/08/26/07/836082607.db2.gz PRTRXTIKPOSNGH-ALOPSCKCSA-N 1 1 347.459 0.760 20 30 ECEDMO Cc1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NCC#N)c(C)o1 ZINC001266653785 836089136 /nfs/dbraw/zinc/08/91/36/836089136.db2.gz USQHWGGMUJYLKO-AGUYFDCRSA-N 1 1 345.403 0.656 20 30 ECEDMO Cc1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NCC#N)c(C)o1 ZINC001266653785 836089146 /nfs/dbraw/zinc/08/91/46/836089146.db2.gz USQHWGGMUJYLKO-AGUYFDCRSA-N 1 1 345.403 0.656 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C(C)=O)C1 ZINC001266655549 836091552 /nfs/dbraw/zinc/09/15/52/836091552.db2.gz BDZYZVHFUAKLNU-DLBZAZTESA-N 1 1 335.448 0.427 20 30 ECEDMO C=CCCOCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC1 ZINC001266655604 836092072 /nfs/dbraw/zinc/09/20/72/836092072.db2.gz BUCZANHKTDLDTL-MQVJKMGUSA-N 1 1 335.448 0.969 20 30 ECEDMO Cn1cccc1C(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266656592 836092727 /nfs/dbraw/zinc/09/27/27/836092727.db2.gz YKXRXIBITJAXMM-GJZGRUSLSA-N 1 1 343.431 0.591 20 30 ECEDMO Cn1cccc1C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266656592 836092734 /nfs/dbraw/zinc/09/27/34/836092734.db2.gz YKXRXIBITJAXMM-GJZGRUSLSA-N 1 1 343.431 0.591 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc[nH]c2)C1 ZINC001266659072 836095007 /nfs/dbraw/zinc/09/50/07/836095007.db2.gz MAWZBQKMWUGXCF-GJZGRUSLSA-N 1 1 329.404 0.581 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc[nH]c2)C1 ZINC001266659072 836095013 /nfs/dbraw/zinc/09/50/13/836095013.db2.gz MAWZBQKMWUGXCF-GJZGRUSLSA-N 1 1 329.404 0.581 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccncn2)C1 ZINC001266664286 836101948 /nfs/dbraw/zinc/10/19/48/836101948.db2.gz ZKDSXMLJSZVXFD-GDBMZVCRSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)c1nnnn1C1CC1 ZINC001266728784 836207902 /nfs/dbraw/zinc/20/79/02/836207902.db2.gz LEPSGYOSBBTHNZ-HIFRSBDPSA-N 1 1 345.451 0.215 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)c1nnnn1C1CC1 ZINC001266728784 836207908 /nfs/dbraw/zinc/20/79/08/836207908.db2.gz LEPSGYOSBBTHNZ-HIFRSBDPSA-N 1 1 345.451 0.215 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001266756068 836251324 /nfs/dbraw/zinc/25/13/24/836251324.db2.gz ZNBJPOGSYIDQGJ-MRXNPFEDSA-N 1 1 336.480 0.555 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001266766950 836272728 /nfs/dbraw/zinc/27/27/28/836272728.db2.gz JPTWEFZORPUIHC-ZDUSSCGKSA-N 1 1 331.420 0.984 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCCn2ccnc2)C1 ZINC001266770447 836280417 /nfs/dbraw/zinc/28/04/17/836280417.db2.gz WGAPQRUKCGGVAU-INIZCTEOSA-N 1 1 345.447 0.241 20 30 ECEDMO C#CCCCCCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC001266849994 836380931 /nfs/dbraw/zinc/38/09/31/836380931.db2.gz RMPPOASQSQFXHC-AWEZNQCLSA-N 1 1 336.436 0.736 20 30 ECEDMO C#CCCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC001266849994 836380939 /nfs/dbraw/zinc/38/09/39/836380939.db2.gz RMPPOASQSQFXHC-AWEZNQCLSA-N 1 1 336.436 0.736 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(C)nc2C)C1 ZINC001266893786 836443739 /nfs/dbraw/zinc/44/37/39/836443739.db2.gz SKULXFMEROIUKS-DZGCQCFKSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCn2ccnc2)C1 ZINC001266895626 836447040 /nfs/dbraw/zinc/44/70/40/836447040.db2.gz QNKQDZMOLPMYDN-HOTGVXAUSA-N 1 1 345.447 0.239 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2nonc2C)C1 ZINC001266898268 836450812 /nfs/dbraw/zinc/45/08/12/836450812.db2.gz UICFEUDDVJVZHH-ZFWWWQNUSA-N 1 1 334.420 0.787 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CC=CCC1 ZINC001266901011 836453692 /nfs/dbraw/zinc/45/36/92/836453692.db2.gz DTBYLHVLEKGLHY-MZZPOWALSA-N 1 1 329.444 0.917 20 30 ECEDMO CC(C)=C[C@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1(C)C ZINC001266903065 836458295 /nfs/dbraw/zinc/45/82/95/836458295.db2.gz HTTJMNKDUXRJLE-SSRUIJIPSA-N 1 1 344.459 0.911 20 30 ECEDMO CC(C)=C[C@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1(C)C ZINC001266903065 836458300 /nfs/dbraw/zinc/45/83/00/836458300.db2.gz HTTJMNKDUXRJLE-SSRUIJIPSA-N 1 1 344.459 0.911 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CSC(C)C)C1 ZINC001267101654 836773426 /nfs/dbraw/zinc/77/34/26/836773426.db2.gz WRCNWOVHQCYOCM-AWEZNQCLSA-N 1 1 325.478 0.800 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CSC(C)C)C1 ZINC001267101654 836773430 /nfs/dbraw/zinc/77/34/30/836773430.db2.gz WRCNWOVHQCYOCM-AWEZNQCLSA-N 1 1 325.478 0.800 20 30 ECEDMO C=CCOCCCC(=O)N1CCC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001267102583 836775072 /nfs/dbraw/zinc/77/50/72/836775072.db2.gz IWOYGQMMJRNZPY-ZDUSSCGKSA-N 1 1 340.424 0.087 20 30 ECEDMO C=CCOCCCC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001267102583 836775078 /nfs/dbraw/zinc/77/50/78/836775078.db2.gz IWOYGQMMJRNZPY-ZDUSSCGKSA-N 1 1 340.424 0.087 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)COC(C)(C)C)C1 ZINC001267102337 836775839 /nfs/dbraw/zinc/77/58/39/836775839.db2.gz DWMWOWZTPLCRIT-CABCVRRESA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2nc(C)cc2C)C1 ZINC001267107774 836789469 /nfs/dbraw/zinc/78/94/69/836789469.db2.gz JCXINCQTUZQPHT-INIZCTEOSA-N 1 1 345.447 0.172 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2nc(C)cc2C)C1 ZINC001267107774 836789470 /nfs/dbraw/zinc/78/94/70/836789470.db2.gz JCXINCQTUZQPHT-INIZCTEOSA-N 1 1 345.447 0.172 20 30 ECEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001267107480 836789759 /nfs/dbraw/zinc/78/97/59/836789759.db2.gz DPJCKMKVBYZTKU-HNNXBMFYSA-N 1 1 335.452 0.861 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cn(CC)nc2C)C1 ZINC001267112404 836799967 /nfs/dbraw/zinc/79/99/67/836799967.db2.gz RMLLTMHTGJKJFD-HNNXBMFYSA-N 1 1 345.447 0.497 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2cn(CC)nc2C)C1 ZINC001267112404 836799973 /nfs/dbraw/zinc/79/99/73/836799973.db2.gz RMLLTMHTGJKJFD-HNNXBMFYSA-N 1 1 345.447 0.497 20 30 ECEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](NC(=O)COC)C(C)C)C1 ZINC001267112664 836800949 /nfs/dbraw/zinc/80/09/49/836800949.db2.gz VCFVPHBYBLIBLG-RDJZCZTQSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001267112828 836802430 /nfs/dbraw/zinc/80/24/30/836802430.db2.gz YAWLZAHRGIDUBL-UONOGXRCSA-N 1 1 331.420 0.392 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2csc(C)n2)C1 ZINC001267115323 836809207 /nfs/dbraw/zinc/80/92/07/836809207.db2.gz TZONVLRMQRYKBW-OAHLLOKOSA-N 1 1 348.472 0.666 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2csc(C)n2)C1 ZINC001267115323 836809213 /nfs/dbraw/zinc/80/92/13/836809213.db2.gz TZONVLRMQRYKBW-OAHLLOKOSA-N 1 1 348.472 0.666 20 30 ECEDMO CCc1cc(C(=O)NCCC[C@H]2CCC[N@H+]2CC(=O)NCC#N)no1 ZINC001267179013 836925037 /nfs/dbraw/zinc/92/50/37/836925037.db2.gz JCVVBGYDAMYTHN-ZDUSSCGKSA-N 1 1 347.419 0.851 20 30 ECEDMO CCS(=O)(=O)NCCC[N@@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001267193983 836959249 /nfs/dbraw/zinc/95/92/49/836959249.db2.gz HHVHEJXBXRWRJK-UHFFFAOYSA-N 1 1 331.482 0.413 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CCCOCC)[C@@H]2C1 ZINC001279597593 836966704 /nfs/dbraw/zinc/96/67/04/836966704.db2.gz NNQGDKYCZLCOCU-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCOCC)[C@@H]2C1 ZINC001279597593 836966713 /nfs/dbraw/zinc/96/67/13/836966713.db2.gz NNQGDKYCZLCOCU-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)CCc2ccncc2)C1=O ZINC001267204762 836982756 /nfs/dbraw/zinc/98/27/56/836982756.db2.gz LAPQRAYUDSQBKV-MRXNPFEDSA-N 1 1 330.432 0.849 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CCc2ccncc2)C1=O ZINC001267204762 836982768 /nfs/dbraw/zinc/98/27/68/836982768.db2.gz LAPQRAYUDSQBKV-MRXNPFEDSA-N 1 1 330.432 0.849 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001267209925 836995947 /nfs/dbraw/zinc/99/59/47/836995947.db2.gz RSVXBQHNLAHBEH-MLGOLLRUSA-N 1 1 325.409 0.068 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001267209925 836995962 /nfs/dbraw/zinc/99/59/62/836995962.db2.gz RSVXBQHNLAHBEH-MLGOLLRUSA-N 1 1 325.409 0.068 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@H+](C)Cc2ccc(C(N)=O)cc2)nn1 ZINC001267220999 837014196 /nfs/dbraw/zinc/01/41/96/837014196.db2.gz OQDQKWJCIDVEAP-UHFFFAOYSA-N 1 1 342.403 0.425 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2ccc(C(N)=O)o2)C1=O ZINC001267244654 837057237 /nfs/dbraw/zinc/05/72/37/837057237.db2.gz LMWFTEJPUMPWPS-GFCCVEGCSA-N 1 1 348.403 0.217 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cn2cc(C)ccc2n1 ZINC001267245029 837057650 /nfs/dbraw/zinc/05/76/50/837057650.db2.gz AYMJCJAROAUJKT-UHFFFAOYSA-N 1 1 341.415 0.444 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cn2cc(C)ccc2n1 ZINC001267245029 837057662 /nfs/dbraw/zinc/05/76/62/837057662.db2.gz AYMJCJAROAUJKT-UHFFFAOYSA-N 1 1 341.415 0.444 20 30 ECEDMO Cc1nscc1C(=O)NCCC[N@@H+](CC(=O)NCC#N)C(C)C ZINC001267248384 837063612 /nfs/dbraw/zinc/06/36/12/837063612.db2.gz ZWRGGGXWMGOOLA-UHFFFAOYSA-N 1 1 337.449 0.922 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CC)CC(=O)NCC(C)C)nc1 ZINC001267255626 837077993 /nfs/dbraw/zinc/07/79/93/837077993.db2.gz NVPYSAKSSHMICU-UHFFFAOYSA-N 1 1 330.432 0.887 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC)CC(=O)NCC(C)C)nc1 ZINC001267255626 837078001 /nfs/dbraw/zinc/07/80/01/837078001.db2.gz NVPYSAKSSHMICU-UHFFFAOYSA-N 1 1 330.432 0.887 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cccnc1N(C)C ZINC001267255670 837078280 /nfs/dbraw/zinc/07/82/80/837078280.db2.gz AGOUUNMOHGGHLP-CQSZACIVSA-N 1 1 345.447 0.337 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cccnc1N(C)C ZINC001267255670 837078290 /nfs/dbraw/zinc/07/82/90/837078290.db2.gz AGOUUNMOHGGHLP-CQSZACIVSA-N 1 1 345.447 0.337 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001267256678 837081235 /nfs/dbraw/zinc/08/12/35/837081235.db2.gz CCYWFARMZQTBHR-UHFFFAOYSA-N 1 1 331.416 0.416 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001267261596 837093037 /nfs/dbraw/zinc/09/30/37/837093037.db2.gz QMHLWESVWDQPJA-GJZGRUSLSA-N 1 1 330.432 0.666 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001267261596 837093047 /nfs/dbraw/zinc/09/30/47/837093047.db2.gz QMHLWESVWDQPJA-GJZGRUSLSA-N 1 1 330.432 0.666 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001267267037 837103277 /nfs/dbraw/zinc/10/32/77/837103277.db2.gz KPBPRZHEDMFFFI-CHWSQXEVSA-N 1 1 334.424 0.312 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001279624962 837103538 /nfs/dbraw/zinc/10/35/38/837103538.db2.gz WHAIKZGXCKFOPH-OKZBNKHCSA-N 1 1 333.476 0.901 20 30 ECEDMO COCC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001279624962 837103546 /nfs/dbraw/zinc/10/35/46/837103546.db2.gz WHAIKZGXCKFOPH-OKZBNKHCSA-N 1 1 333.476 0.901 20 30 ECEDMO COCC#CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001279624962 837103564 /nfs/dbraw/zinc/10/35/64/837103564.db2.gz WHAIKZGXCKFOPH-OKZBNKHCSA-N 1 1 333.476 0.901 20 30 ECEDMO COCC#CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001279624962 837103572 /nfs/dbraw/zinc/10/35/72/837103572.db2.gz WHAIKZGXCKFOPH-OKZBNKHCSA-N 1 1 333.476 0.901 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC001267271500 837112113 /nfs/dbraw/zinc/11/21/13/837112113.db2.gz WZAVICDZWRYMSJ-UKRRQHHQSA-N 1 1 346.431 0.270 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001267271625 837113931 /nfs/dbraw/zinc/11/39/31/837113931.db2.gz YZYVMXVHXSVKHF-HOTGVXAUSA-N 1 1 330.432 0.676 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267278844 837123188 /nfs/dbraw/zinc/12/31/88/837123188.db2.gz RRLVIUCWMPGTSJ-ZIAGYGMSSA-N 1 1 348.447 0.633 20 30 ECEDMO CCN(CC)C(=O)C[N@H+]1CC[C@H](CNC(=O)CSCC#N)C1 ZINC001267287106 837138001 /nfs/dbraw/zinc/13/80/01/837138001.db2.gz DMUQESFXDXWKEG-CYBMUJFWSA-N 1 1 326.466 0.550 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001267292346 837143899 /nfs/dbraw/zinc/14/38/99/837143899.db2.gz AHSLCMZIEFELSZ-CQSZACIVSA-N 1 1 331.420 0.244 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)COCc2ccnn2C)C1 ZINC001267296093 837153244 /nfs/dbraw/zinc/15/32/44/837153244.db2.gz GVUCMRLMKWLCBG-OAHLLOKOSA-N 1 1 334.420 0.025 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(COC)c2)C1 ZINC001267297058 837156314 /nfs/dbraw/zinc/15/63/14/837156314.db2.gz AAKNZJQGPCPNBX-INIZCTEOSA-N 1 1 343.427 0.634 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn(C(C)C)n2)C1 ZINC001267302062 837166501 /nfs/dbraw/zinc/16/65/01/837166501.db2.gz AMXPJMHVRKUVGU-AWEZNQCLSA-N 1 1 331.420 0.265 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001267302931 837167966 /nfs/dbraw/zinc/16/79/66/837167966.db2.gz IXSNUKSNVLVSDN-GOEBONIOSA-N 1 1 348.451 0.224 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001267302931 837167976 /nfs/dbraw/zinc/16/79/76/837167976.db2.gz IXSNUKSNVLVSDN-GOEBONIOSA-N 1 1 348.451 0.224 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+](CCNS(=O)(=O)CC)C2)C1 ZINC001267303208 837169014 /nfs/dbraw/zinc/16/90/14/837169014.db2.gz WEPAZIUKUQBQNT-AWEZNQCLSA-N 1 1 343.493 0.720 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2c(C)onc2CC)C1 ZINC001267304633 837173114 /nfs/dbraw/zinc/17/31/14/837173114.db2.gz AJCQDCMZSVDMIV-ZDUSSCGKSA-N 1 1 332.404 0.347 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)c2cccnc2N(C)C)C1 ZINC001267305697 837174410 /nfs/dbraw/zinc/17/44/10/837174410.db2.gz NBPYZSSNJVIUDV-OAHLLOKOSA-N 1 1 330.432 0.849 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2csc(C)n2)C1 ZINC001267306786 837178079 /nfs/dbraw/zinc/17/80/79/837178079.db2.gz XLPZIBCMGRRNJF-JSGCOSHPSA-N 1 1 348.472 0.570 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2csc(C)n2)C1 ZINC001267306787 837178308 /nfs/dbraw/zinc/17/83/08/837178308.db2.gz XLPZIBCMGRRNJF-OCCSQVGLSA-N 1 1 348.472 0.570 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CCNC(=O)C3CC3)C2)nc1 ZINC001267307383 837179380 /nfs/dbraw/zinc/17/93/80/837179380.db2.gz REIAGKRZEZGVEI-OAHLLOKOSA-N 1 1 340.427 0.641 20 30 ECEDMO CCC[N@H+](CCNC(=O)C#CC1CC1)CC(=O)NCc1cccnc1 ZINC001267312577 837187891 /nfs/dbraw/zinc/18/78/91/837187891.db2.gz GLZDSCPYXABLRU-UHFFFAOYSA-N 1 1 342.443 0.939 20 30 ECEDMO CCC[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)NCc1cccnc1 ZINC001267312577 837187898 /nfs/dbraw/zinc/18/78/98/837187898.db2.gz GLZDSCPYXABLRU-UHFFFAOYSA-N 1 1 342.443 0.939 20 30 ECEDMO COCC(=O)NCC[N@H+](CC(=O)NCC#Cc1ccccc1)C1CC1 ZINC001267320820 837198155 /nfs/dbraw/zinc/19/81/55/837198155.db2.gz XOFFBJGRMCCYDA-UHFFFAOYSA-N 1 1 343.427 0.381 20 30 ECEDMO COCC(=O)NCC[N@@H+](CC(=O)NCC#Cc1ccccc1)C1CC1 ZINC001267320820 837198160 /nfs/dbraw/zinc/19/81/60/837198160.db2.gz XOFFBJGRMCCYDA-UHFFFAOYSA-N 1 1 343.427 0.381 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C[C@H]1CCNC(=O)CC1)C1CC1 ZINC001267325243 837201451 /nfs/dbraw/zinc/20/14/51/837201451.db2.gz DSUVTRAXXALTDK-KDOFPFPSSA-N 1 1 337.464 0.810 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1cn2c(n1)CCC2)C1CC1 ZINC001267326406 837202596 /nfs/dbraw/zinc/20/25/96/837202596.db2.gz VCYQRFXFPLEOMH-UHFFFAOYSA-N 1 1 331.420 0.326 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1cn2c(n1)CCC2)C1CC1 ZINC001267326406 837202604 /nfs/dbraw/zinc/20/26/04/837202604.db2.gz VCYQRFXFPLEOMH-UHFFFAOYSA-N 1 1 331.420 0.326 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1nc(C)c(C)[nH]c1=O)C1CC1 ZINC001267327565 837205056 /nfs/dbraw/zinc/20/50/56/837205056.db2.gz RURFWBRRBYKIBN-UHFFFAOYSA-N 1 1 347.419 0.295 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1nc(C)c(C)[nH]c1=O)C1CC1 ZINC001267327565 837205066 /nfs/dbraw/zinc/20/50/66/837205066.db2.gz RURFWBRRBYKIBN-UHFFFAOYSA-N 1 1 347.419 0.295 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@@H]1CCc2nncn2C1)C1CC1 ZINC001267337875 837222075 /nfs/dbraw/zinc/22/20/75/837222075.db2.gz LJUFDWMSGABEGR-CQSZACIVSA-N 1 1 331.420 0.071 20 30 ECEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001267337754 837222227 /nfs/dbraw/zinc/22/22/27/837222227.db2.gz HWEZXJGPRQYCQU-JSGCOSHPSA-N 1 1 329.466 0.613 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cnn(CC)n2)C1 ZINC001267580818 837842277 /nfs/dbraw/zinc/84/22/77/837842277.db2.gz DTFHFRDTGXBUSF-RHSMWYFYSA-N 1 1 335.452 0.905 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cnn(CC)n2)C1 ZINC001267580818 837842290 /nfs/dbraw/zinc/84/22/90/837842290.db2.gz DTFHFRDTGXBUSF-RHSMWYFYSA-N 1 1 335.452 0.905 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC001267589269 837874629 /nfs/dbraw/zinc/87/46/29/837874629.db2.gz IKDGLSFITLRIGT-GFCCVEGCSA-N 1 1 349.822 0.769 20 30 ECEDMO C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1)C(C)(F)F ZINC001267589729 837875759 /nfs/dbraw/zinc/87/57/59/837875759.db2.gz LTVVSOPROOLGOD-VXGBXAGGSA-N 1 1 330.379 0.698 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC001267591781 837883777 /nfs/dbraw/zinc/88/37/77/837883777.db2.gz JAWYNQZWLDLBGP-HUUCEWRRSA-N 1 1 331.416 0.740 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cccc2)C1 ZINC001267593897 837893618 /nfs/dbraw/zinc/89/36/18/837893618.db2.gz VCISAEZKDZLJDP-SJORKVTESA-N 1 1 344.459 0.969 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)nc1 ZINC001267594517 837896798 /nfs/dbraw/zinc/89/67/98/837896798.db2.gz INNWFMXCSGQEFC-ZFWWWQNUSA-N 1 1 328.416 0.639 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H](C)n2cncn2)CC1 ZINC001267598705 837908021 /nfs/dbraw/zinc/90/80/21/837908021.db2.gz NMCMLJKYGNAYHB-CQSZACIVSA-N 1 1 348.451 0.312 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C[N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001267598976 837910348 /nfs/dbraw/zinc/91/03/48/837910348.db2.gz XMSCYNPQJFYXCD-PBHICJAKSA-N 1 1 325.453 0.748 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@H]2CCCOC2)C1 ZINC001267601510 837922481 /nfs/dbraw/zinc/92/24/81/837922481.db2.gz OPISHXDPVFLEPA-HUUCEWRRSA-N 1 1 336.436 0.271 20 30 ECEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001267603339 837929820 /nfs/dbraw/zinc/92/98/20/837929820.db2.gz UIJZVCJLEOGMGS-UHFFFAOYSA-N 1 1 346.497 0.129 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001267605241 837940478 /nfs/dbraw/zinc/94/04/78/837940478.db2.gz PCRKLIXOTOFLPZ-IAGOWNOFSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCOCC[NH+]1CCN(CCN(C)C(=O)c2cc(C)[nH]n2)CC1 ZINC001267605944 837944575 /nfs/dbraw/zinc/94/45/75/837944575.db2.gz IQKSMEWSFXHXFY-UHFFFAOYSA-N 1 1 335.452 0.610 20 30 ECEDMO COCCOC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001267614421 837989471 /nfs/dbraw/zinc/98/94/71/837989471.db2.gz JOLXWWBJZLGTDZ-HZPDHXFCSA-N 1 1 326.437 0.250 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267615797 837999186 /nfs/dbraw/zinc/99/91/86/837999186.db2.gz UTKBIYSROXULRE-HUUCEWRRSA-N 1 1 334.464 0.189 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001267616859 838030200 /nfs/dbraw/zinc/03/02/00/838030200.db2.gz FKFUBEJERXTUTC-LLVKDONJSA-N 1 1 341.437 0.218 20 30 ECEDMO C=CCOCC[N@H+]1CCC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001267619428 838055108 /nfs/dbraw/zinc/05/51/08/838055108.db2.gz LWAGLYLCOGIQOG-OAHLLOKOSA-N 1 1 334.420 0.417 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC001267626703 838074443 /nfs/dbraw/zinc/07/44/43/838074443.db2.gz YRYYGAALJZFZMH-KGLIPLIRSA-N 1 1 332.404 0.515 20 30 ECEDMO COCC#CCN1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267630129 838086645 /nfs/dbraw/zinc/08/66/45/838086645.db2.gz ZTBXLVFFUYKQFV-SJORKVTESA-N 1 1 344.459 0.984 20 30 ECEDMO C[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267645744 838130337 /nfs/dbraw/zinc/13/03/37/838130337.db2.gz FHGVTHGUVOLIAJ-ZDUSSCGKSA-N 1 1 345.365 0.859 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cncc(OC)n2)C1 ZINC001267646531 838133403 /nfs/dbraw/zinc/13/34/03/838133403.db2.gz QASJEGLCNKQTQV-CABCVRRESA-N 1 1 346.431 0.804 20 30 ECEDMO C=CCCCCC[NH+]1CC(NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001267664722 838188806 /nfs/dbraw/zinc/18/88/06/838188806.db2.gz QOPLZHJGUDLENB-UHFFFAOYSA-N 1 1 347.463 0.928 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccnc(OC)n2)C1 ZINC001267666738 838194772 /nfs/dbraw/zinc/19/47/72/838194772.db2.gz WBVVKCHEDLMFRA-CYBMUJFWSA-N 1 1 347.419 0.181 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001267685259 838248105 /nfs/dbraw/zinc/24/81/05/838248105.db2.gz CLUVYOLNLOZSLX-UHFFFAOYSA-N 1 1 344.337 0.757 20 30 ECEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001267697320 838290362 /nfs/dbraw/zinc/29/03/62/838290362.db2.gz QPGDGGOGHDGHIP-AWEZNQCLSA-N 1 1 336.436 0.627 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cc2ccc(C)nc2)C1 ZINC001267698532 838292558 /nfs/dbraw/zinc/29/25/58/838292558.db2.gz BOUJGICOLFBQAG-AWEZNQCLSA-N 1 1 330.432 0.671 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2cn(CC)cn2)C1 ZINC001267702399 838299607 /nfs/dbraw/zinc/29/96/07/838299607.db2.gz GKLTXVNPRKKRGJ-HUUCEWRRSA-N 1 1 347.463 0.988 20 30 ECEDMO COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001267708790 838318196 /nfs/dbraw/zinc/31/81/96/838318196.db2.gz QIJFVQAPTOKCEP-LSDHHAIUSA-N 1 1 344.477 0.097 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001267708790 838318202 /nfs/dbraw/zinc/31/82/02/838318202.db2.gz QIJFVQAPTOKCEP-LSDHHAIUSA-N 1 1 344.477 0.097 20 30 ECEDMO CC#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001267711675 838328494 /nfs/dbraw/zinc/32/84/94/838328494.db2.gz CQBYVTWYPURMLI-YESZJQIVSA-N 1 1 347.459 0.448 20 30 ECEDMO CC#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001267711675 838328502 /nfs/dbraw/zinc/32/85/02/838328502.db2.gz CQBYVTWYPURMLI-YESZJQIVSA-N 1 1 347.459 0.448 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001267714381 838342076 /nfs/dbraw/zinc/34/20/76/838342076.db2.gz FUFJSCPDSJNDAB-UHFFFAOYSA-N 1 1 347.419 0.268 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001267724538 838387469 /nfs/dbraw/zinc/38/74/69/838387469.db2.gz GPJWSGMBFKNKED-CYBMUJFWSA-N 1 1 331.420 0.332 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C[N@@H+](C)CCn2cncn2)CC1 ZINC001267724807 838391053 /nfs/dbraw/zinc/39/10/53/838391053.db2.gz NTCUMZVLHRQGQD-KRWDZBQOSA-N 1 1 335.452 0.776 20 30 ECEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001267726310 838401055 /nfs/dbraw/zinc/40/10/55/838401055.db2.gz AWEFZRNUCCJHBV-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cncn3)n2)C1 ZINC001267732459 838420242 /nfs/dbraw/zinc/42/02/42/838420242.db2.gz HZBTVUFMDUPDAU-AWEZNQCLSA-N 1 1 342.403 0.669 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC001267746610 838452648 /nfs/dbraw/zinc/45/26/48/838452648.db2.gz MWMNDKCNPFLVJF-UONOGXRCSA-N 1 1 333.436 0.532 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC001267746610 838452652 /nfs/dbraw/zinc/45/26/52/838452652.db2.gz MWMNDKCNPFLVJF-UONOGXRCSA-N 1 1 333.436 0.532 20 30 ECEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001267752804 838475478 /nfs/dbraw/zinc/47/54/78/838475478.db2.gz SEKYSIOUMZAEDE-AWEZNQCLSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC)c2)C1 ZINC001267758765 838484357 /nfs/dbraw/zinc/48/43/57/838484357.db2.gz DOURIBGPYGBBAH-HIFRSBDPSA-N 1 1 331.420 0.187 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC)c2)C1 ZINC001267758765 838484361 /nfs/dbraw/zinc/48/43/61/838484361.db2.gz DOURIBGPYGBBAH-HIFRSBDPSA-N 1 1 331.420 0.187 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC)c2)C1 ZINC001267758764 838484549 /nfs/dbraw/zinc/48/45/49/838484549.db2.gz DOURIBGPYGBBAH-DZGCQCFKSA-N 1 1 331.420 0.187 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC)c2)C1 ZINC001267758764 838484554 /nfs/dbraw/zinc/48/45/54/838484554.db2.gz DOURIBGPYGBBAH-DZGCQCFKSA-N 1 1 331.420 0.187 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001267761109 838487873 /nfs/dbraw/zinc/48/78/73/838487873.db2.gz BCMMPEGAVOIOQI-AAEUAGOBSA-N 1 1 335.408 0.144 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001267761109 838487876 /nfs/dbraw/zinc/48/78/76/838487876.db2.gz BCMMPEGAVOIOQI-AAEUAGOBSA-N 1 1 335.408 0.144 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)COCc2cc[nH]c(=O)c2)C1 ZINC001267766127 838498968 /nfs/dbraw/zinc/49/89/68/838498968.db2.gz CPDCQXVLUUGEIA-INIZCTEOSA-N 1 1 347.415 0.486 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)COCc2cc[nH]c(=O)c2)C1 ZINC001267766127 838498971 /nfs/dbraw/zinc/49/89/71/838498971.db2.gz CPDCQXVLUUGEIA-INIZCTEOSA-N 1 1 347.415 0.486 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(C)n2C)C1 ZINC001267769631 838515938 /nfs/dbraw/zinc/51/59/38/838515938.db2.gz CIZBMDDQZWTYOL-JSGCOSHPSA-N 1 1 333.436 0.566 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnc(C)n2C)C1 ZINC001267769631 838515944 /nfs/dbraw/zinc/51/59/44/838515944.db2.gz CIZBMDDQZWTYOL-JSGCOSHPSA-N 1 1 333.436 0.566 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001267770728 838519153 /nfs/dbraw/zinc/51/91/53/838519153.db2.gz QINHAIMCJWHMHP-STQMWFEESA-N 1 1 347.419 0.328 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001267770728 838519158 /nfs/dbraw/zinc/51/91/58/838519158.db2.gz QINHAIMCJWHMHP-STQMWFEESA-N 1 1 347.419 0.328 20 30 ECEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267774806 838537067 /nfs/dbraw/zinc/53/70/67/838537067.db2.gz ZMSWZWWLKBEZSH-ZDUSSCGKSA-N 1 1 336.436 0.673 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C)C1 ZINC001267777091 838541506 /nfs/dbraw/zinc/54/15/06/838541506.db2.gz PLHROIFBDRREMJ-STQMWFEESA-N 1 1 338.452 0.966 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C)C1 ZINC001267777091 838541508 /nfs/dbraw/zinc/54/15/08/838541508.db2.gz PLHROIFBDRREMJ-STQMWFEESA-N 1 1 338.452 0.966 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)nn2C)C1 ZINC001267781302 838554908 /nfs/dbraw/zinc/55/49/08/838554908.db2.gz FUUGCNCKQVNPEC-CABCVRRESA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C)nn2C)C1 ZINC001267781302 838554915 /nfs/dbraw/zinc/55/49/15/838554915.db2.gz FUUGCNCKQVNPEC-CABCVRRESA-N 1 1 345.447 0.403 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001267782887 838558350 /nfs/dbraw/zinc/55/83/50/838558350.db2.gz BZFXSRLSSWAKPI-OCCSQVGLSA-N 1 1 348.451 0.269 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001267782887 838558355 /nfs/dbraw/zinc/55/83/55/838558355.db2.gz BZFXSRLSSWAKPI-OCCSQVGLSA-N 1 1 348.451 0.269 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(CC)n2)C1 ZINC001267784585 838559902 /nfs/dbraw/zinc/55/99/02/838559902.db2.gz QOBYKKGPIOSSGZ-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(CC)n2)C1 ZINC001267784585 838559912 /nfs/dbraw/zinc/55/99/12/838559912.db2.gz QOBYKKGPIOSSGZ-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO CCN(C(=O)CCCNC(=O)C1CC1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267786130 838562508 /nfs/dbraw/zinc/56/25/08/838562508.db2.gz JPBSKHWTYPCWNY-KRWDZBQOSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267925901 838802982 /nfs/dbraw/zinc/80/29/82/838802982.db2.gz SXQFLFLFWQDMHV-CXAGYDPISA-N 1 1 337.420 0.043 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001268027516 839036434 /nfs/dbraw/zinc/03/64/34/839036434.db2.gz VPTJYUPGRDJXEJ-LSDHHAIUSA-N 1 1 348.451 0.409 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC2(C[NH+](CC(=O)NCCCC)C2)CC1 ZINC001268043833 839198641 /nfs/dbraw/zinc/19/86/41/839198641.db2.gz RCBFMZCMUBUDJU-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO Cn1nnc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000981023591 839324386 /nfs/dbraw/zinc/32/43/86/839324386.db2.gz AHGMBIXPIQTMTM-QWRGUYRKSA-N 1 1 328.380 0.241 20 30 ECEDMO C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC1(O)CCOCC1 ZINC000331294458 282342224 /nfs/dbraw/zinc/34/22/24/282342224.db2.gz MLDASFBSTWVOBS-UHFFFAOYSA-N 1 1 327.303 0.052 20 30 ECEDMO N#Cc1ccccc1N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000101587238 219143567 /nfs/dbraw/zinc/14/35/67/219143567.db2.gz UAEDPWGLBXKJLD-KRWDZBQOSA-N 1 1 330.432 0.373 20 30 ECEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)CCCCC1 ZINC000129352851 283047807 /nfs/dbraw/zinc/04/78/07/283047807.db2.gz SFHCGCIMXMLJHS-MRXNPFEDSA-N 1 1 334.464 0.983 20 30 ECEDMO N#CC1(NC(=O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)CCCCC1 ZINC000129352851 283047808 /nfs/dbraw/zinc/04/78/08/283047808.db2.gz SFHCGCIMXMLJHS-MRXNPFEDSA-N 1 1 334.464 0.983 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264659513 283185201 /nfs/dbraw/zinc/18/52/01/283185201.db2.gz YLDHYYUBCLKVJL-AWEZNQCLSA-N 1 1 336.417 0.176 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264659513 283185202 /nfs/dbraw/zinc/18/52/02/283185202.db2.gz YLDHYYUBCLKVJL-AWEZNQCLSA-N 1 1 336.417 0.176 20 30 ECEDMO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000330570122 283397958 /nfs/dbraw/zinc/39/79/58/283397958.db2.gz MKPRVRFSMJIADW-MJBXVCDLSA-N 1 1 325.457 0.041 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000109819974 291331839 /nfs/dbraw/zinc/33/18/39/291331839.db2.gz REZLKHFTGNTGJZ-SJLPKXTDSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000109819974 291331842 /nfs/dbraw/zinc/33/18/42/291331842.db2.gz REZLKHFTGNTGJZ-SJLPKXTDSA-N 1 1 334.464 0.982 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)C2)C1 ZINC001041672266 781960778 /nfs/dbraw/zinc/96/07/78/781960778.db2.gz AMPPESNBCUBZSP-LJQANCHMSA-N 1 1 342.443 0.694 20 30 ECEDMO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)S(C)(=O)=O ZINC000265035332 247150098 /nfs/dbraw/zinc/15/00/98/247150098.db2.gz NOLXQGHDWKZKRZ-CYBMUJFWSA-N 1 1 337.445 0.882 20 30 ECEDMO Cc1[nH]c(C#N)cc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000448865734 211262544 /nfs/dbraw/zinc/26/25/44/211262544.db2.gz GSKPBIZTFAWHKA-OAHLLOKOSA-N 1 1 331.420 0.867 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000267579413 251166718 /nfs/dbraw/zinc/16/67/18/251166718.db2.gz VPYQCYNYSXVRRZ-UHFFFAOYSA-N 1 1 336.392 0.801 20 30 ECEDMO COC(=O)CN1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000349050563 269701013 /nfs/dbraw/zinc/70/10/13/269701013.db2.gz JKUYDHNYHVIWNF-OAHLLOKOSA-N 1 1 333.388 0.089 20 30 ECEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000411907305 208160643 /nfs/dbraw/zinc/16/06/43/208160643.db2.gz DBXBSFMIQVOGEA-HOTGVXAUSA-N 1 1 345.399 0.809 20 30 ECEDMO COCC(COC)[NH+]1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000413866505 208361846 /nfs/dbraw/zinc/36/18/46/208361846.db2.gz DUXUEFZUHYNAMU-UHFFFAOYSA-N 1 1 346.431 0.776 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)Cc2c(F)cccc2C#N)CC[N@@H+](C)C1 ZINC000413908283 208372537 /nfs/dbraw/zinc/37/25/37/208372537.db2.gz URADQCXBDYWUTE-CYBMUJFWSA-N 1 1 333.363 0.803 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC[N@H+](C)C1 ZINC000413914581 208375822 /nfs/dbraw/zinc/37/58/22/208375822.db2.gz GSJRFLLFHRADGO-HIFRSBDPSA-N 1 1 345.399 0.889 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000413914581 208375828 /nfs/dbraw/zinc/37/58/28/208375828.db2.gz GSJRFLLFHRADGO-HIFRSBDPSA-N 1 1 345.399 0.889 20 30 ECEDMO CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329919522 254622356 /nfs/dbraw/zinc/62/23/56/254622356.db2.gz RQBNCPGRTILLEL-KGLIPLIRSA-N 1 1 325.457 0.976 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000330692308 254641649 /nfs/dbraw/zinc/64/16/49/254641649.db2.gz XUHDLTDMABHQJY-UHFFFAOYSA-N 1 1 326.198 0.922 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCCNC(=O)OC(C)(C)C)CC1 ZINC000496872247 255137389 /nfs/dbraw/zinc/13/73/89/255137389.db2.gz DDAPRHJFUUKSPQ-UHFFFAOYSA-N 1 1 340.468 0.821 20 30 ECEDMO C[N@@H+](C[C@H](O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1CC1 ZINC000496920496 255142267 /nfs/dbraw/zinc/14/22/67/255142267.db2.gz MFBUHJWOQPEMCA-GJZGRUSLSA-N 1 1 338.452 0.886 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000118124541 221125253 /nfs/dbraw/zinc/12/52/53/221125253.db2.gz XMSPDYOZZIYFCQ-CQSZACIVSA-N 1 1 348.378 0.863 20 30 ECEDMO C[C@@](O)(CNC(=O)NCc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000073630042 296614736 /nfs/dbraw/zinc/61/47/36/296614736.db2.gz LSTOMNQBXMRMHM-QGZVFWFLSA-N 1 1 332.404 0.441 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)[N@@H+](C)C1 ZINC000328998589 286083185 /nfs/dbraw/zinc/08/31/85/286083185.db2.gz VBWOFXSEHBANJK-QEJZJMRPSA-N 1 1 338.452 0.357 20 30 ECEDMO CCNC(=O)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000193275801 165054801 /nfs/dbraw/zinc/05/48/01/165054801.db2.gz CQZAKPAWWZKQTE-UHFFFAOYSA-N 1 1 343.431 0.912 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(C)c(C(N)=O)cn3)C2)C1 ZINC001041700532 782020129 /nfs/dbraw/zinc/02/01/29/782020129.db2.gz IQFYDPKOOAECEX-GOSISDBHSA-N 1 1 326.400 0.660 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC001041704226 782022244 /nfs/dbraw/zinc/02/22/44/782022244.db2.gz ROUCRDXTLGWTMK-GOSISDBHSA-N 1 1 328.416 0.522 20 30 ECEDMO C[C@@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000179543093 263155829 /nfs/dbraw/zinc/15/58/29/263155829.db2.gz YFCMNCFRVIFAIA-CYBMUJFWSA-N 1 1 330.388 0.412 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000183934204 263157722 /nfs/dbraw/zinc/15/77/22/263157722.db2.gz OGPHJFBVZOFWLD-UHFFFAOYSA-N 1 1 342.403 0.370 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)COc2ccccc2C#N)CC1 ZINC000193525492 263167197 /nfs/dbraw/zinc/16/71/97/263167197.db2.gz VTPHNMJJPXPQPT-UHFFFAOYSA-N 1 1 330.388 0.217 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000270957333 263288366 /nfs/dbraw/zinc/28/83/66/263288366.db2.gz UKVZXGDNZOMKCJ-CVEARBPZSA-N 1 1 329.400 0.995 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000283509208 264123880 /nfs/dbraw/zinc/12/38/80/264123880.db2.gz BKLMOZJVLQVOAE-DOMZBBRYSA-N 1 1 326.400 0.916 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285089261 264277806 /nfs/dbraw/zinc/27/78/06/264277806.db2.gz PMYIFUIWFIQDHW-CABCVRRESA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285089261 264277808 /nfs/dbraw/zinc/27/78/08/264277808.db2.gz PMYIFUIWFIQDHW-CABCVRRESA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285089287 264277939 /nfs/dbraw/zinc/27/79/39/264277939.db2.gz PMYIFUIWFIQDHW-LSDHHAIUSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285089287 264277941 /nfs/dbraw/zinc/27/79/41/264277941.db2.gz PMYIFUIWFIQDHW-LSDHHAIUSA-N 1 1 335.429 0.960 20 30 ECEDMO CCS(=O)(=O)NCCC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355102796 266340720 /nfs/dbraw/zinc/34/07/20/266340720.db2.gz SERVUNAVTBWCCW-UHFFFAOYSA-N 1 1 337.449 0.405 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000328997099 267029130 /nfs/dbraw/zinc/02/91/30/267029130.db2.gz KANNYQYPYIHDPY-MJBXVCDLSA-N 1 1 345.447 0.797 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289435447 267066710 /nfs/dbraw/zinc/06/67/10/267066710.db2.gz YFARWDPZHFYTJF-UKRRQHHQSA-N 1 1 330.436 0.314 20 30 ECEDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000368058605 267108869 /nfs/dbraw/zinc/10/88/69/267108869.db2.gz ADXIYLZUXMNJPK-CRAIPNDOSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000340148048 267169642 /nfs/dbraw/zinc/16/96/42/267169642.db2.gz HQCOEOWDKYMQFA-XJKSGUPXSA-N 1 1 343.431 0.097 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000344771705 267282589 /nfs/dbraw/zinc/28/25/89/267282589.db2.gz XWHLYCDKMHYMOP-UHFFFAOYSA-N 1 1 345.447 0.805 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NCCCN(C)CC[NH+](C)C ZINC000344771705 267282591 /nfs/dbraw/zinc/28/25/91/267282591.db2.gz XWHLYCDKMHYMOP-UHFFFAOYSA-N 1 1 345.447 0.805 20 30 ECEDMO C[N@H+]1C[C@@H]2CCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC000520570209 267342823 /nfs/dbraw/zinc/34/28/23/267342823.db2.gz VUISCHJCWFQESV-JKSUJKDBSA-N 1 1 326.400 0.841 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000364990911 267393036 /nfs/dbraw/zinc/39/30/36/267393036.db2.gz IJIZXGRYKPJICT-CQSZACIVSA-N 1 1 337.445 0.944 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000364990911 267393039 /nfs/dbraw/zinc/39/30/39/267393039.db2.gz IJIZXGRYKPJICT-CQSZACIVSA-N 1 1 337.445 0.944 20 30 ECEDMO N#Cc1cc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)ccc1F ZINC000295351920 268016859 /nfs/dbraw/zinc/01/68/59/268016859.db2.gz OFYCILFLCNCURP-UHFFFAOYSA-N 1 1 327.381 0.432 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(F)c1 ZINC000340948399 268134321 /nfs/dbraw/zinc/13/43/21/268134321.db2.gz BXTHXGZXQGWGNR-CYBMUJFWSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c(F)c1 ZINC000340948399 268134325 /nfs/dbraw/zinc/13/43/25/268134325.db2.gz BXTHXGZXQGWGNR-CYBMUJFWSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(OCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000339026988 268169835 /nfs/dbraw/zinc/16/98/35/268169835.db2.gz GIKJBEGIJIZVFU-HNNXBMFYSA-N 1 1 344.415 0.641 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)CN3CCOCC3)C2)nc1 ZINC000366374289 268184631 /nfs/dbraw/zinc/18/46/31/268184631.db2.gz HMVCYRRKGBVRAG-HOTGVXAUSA-N 1 1 332.404 0.099 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000340151395 268250147 /nfs/dbraw/zinc/25/01/47/268250147.db2.gz XMVPAXJIDQXQKU-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1cccc(F)c1CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000351830317 268257531 /nfs/dbraw/zinc/25/75/31/268257531.db2.gz RAMJQWNUZLRTDO-CQSZACIVSA-N 1 1 346.406 0.943 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000137562731 274968005 /nfs/dbraw/zinc/96/80/05/274968005.db2.gz YYNAGGCUDOPGBH-MRXNPFEDSA-N 1 1 342.395 0.948 20 30 ECEDMO CC(C)[C@H](CNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1)[NH+]1CCOCC1 ZINC000330856063 275697319 /nfs/dbraw/zinc/69/73/19/275697319.db2.gz IFWVOGXXERNTAM-CABCVRRESA-N 1 1 340.468 0.856 20 30 ECEDMO C[C@H](O)C[NH+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000189419478 437600290 /nfs/dbraw/zinc/60/02/90/437600290.db2.gz MQUDPEZANQRURX-WMLDXEAASA-N 1 1 328.416 0.662 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000337092103 279173806 /nfs/dbraw/zinc/17/38/06/279173806.db2.gz MAFYRECNPWMUEI-OAHLLOKOSA-N 1 1 345.513 0.328 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041721241 782052415 /nfs/dbraw/zinc/05/24/15/782052415.db2.gz MNPKUISXMVNTPS-GDBMZVCRSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041721241 782052424 /nfs/dbraw/zinc/05/24/24/782052424.db2.gz MNPKUISXMVNTPS-GDBMZVCRSA-N 1 1 326.462 0.922 20 30 ECEDMO CON(C)C(=O)C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000291614556 437611210 /nfs/dbraw/zinc/61/12/10/437611210.db2.gz CNBWBLWKZGMNNW-UHFFFAOYSA-N 1 1 344.415 0.906 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C(=O)N1CCOCC1 ZINC000328989509 289234959 /nfs/dbraw/zinc/23/49/59/289234959.db2.gz UZEJZCGDONSCGA-ZFWWWQNUSA-N 1 1 339.436 0.834 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)CCN2CCCS2(=O)=O)CC1(C)C ZINC000328735050 290041423 /nfs/dbraw/zinc/04/14/23/290041423.db2.gz YTYUUSICUZORDX-UHFFFAOYSA-N 1 1 346.497 0.395 20 30 ECEDMO Cc1nc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1C#N ZINC000263641758 293178732 /nfs/dbraw/zinc/17/87/32/293178732.db2.gz ASTMRPUXDHEFGP-INIZCTEOSA-N 1 1 343.431 0.934 20 30 ECEDMO N#CCCN(CCC#N)C(=O)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000072970989 436064046 /nfs/dbraw/zinc/06/40/46/436064046.db2.gz OQZDEULNTSSJRA-INIZCTEOSA-N 1 1 333.436 0.439 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000075698129 436173153 /nfs/dbraw/zinc/17/31/53/436173153.db2.gz CAKFIOSATIGBPV-MRXNPFEDSA-N 1 1 338.496 0.895 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000075698129 436173160 /nfs/dbraw/zinc/17/31/60/436173160.db2.gz CAKFIOSATIGBPV-MRXNPFEDSA-N 1 1 338.496 0.895 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000077842108 436256681 /nfs/dbraw/zinc/25/66/81/436256681.db2.gz HMODUFNJKLOGJM-MRXNPFEDSA-N 1 1 344.415 0.850 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3nccs3)C2)CC1 ZINC000081624118 436353393 /nfs/dbraw/zinc/35/33/93/436353393.db2.gz ORHTZWXACWQEGG-CYBMUJFWSA-N 1 1 332.429 0.664 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](CCO)C(C)C)CC2)o1 ZINC000085861283 436390962 /nfs/dbraw/zinc/39/09/62/436390962.db2.gz QGHDSPRSXLCVPT-UHFFFAOYSA-N 1 1 335.408 0.206 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000090187902 436429127 /nfs/dbraw/zinc/42/91/27/436429127.db2.gz ATAKQHIWEDLSPZ-UHFFFAOYSA-N 1 1 331.401 0.803 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000049048788 436463079 /nfs/dbraw/zinc/46/30/79/436463079.db2.gz IJPWLJAMLNFORH-MRXNPFEDSA-N 1 1 344.415 0.970 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000047253420 436414357 /nfs/dbraw/zinc/41/43/57/436414357.db2.gz KANNYQYPYIHDPY-HZSPNIEDSA-N 1 1 345.447 0.797 20 30 ECEDMO CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942807 436421925 /nfs/dbraw/zinc/42/19/25/436421925.db2.gz VWQLJDITRZKUAG-UHFFFAOYSA-N 1 1 344.423 0.120 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC(C#N)CC1 ZINC000105223262 436571399 /nfs/dbraw/zinc/57/13/99/436571399.db2.gz FUZQYXHFTMOFEF-OAHLLOKOSA-N 1 1 335.452 0.874 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000108332174 436616666 /nfs/dbraw/zinc/61/66/66/436616666.db2.gz YPGCGGYSPBOHMP-AWEZNQCLSA-N 1 1 349.456 0.670 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000108865492 436621341 /nfs/dbraw/zinc/62/13/41/436621341.db2.gz XUDLJTYNPNNHKA-SFHVURJKSA-N 1 1 342.487 0.874 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000111687428 436631471 /nfs/dbraw/zinc/63/14/71/436631471.db2.gz IYVGHEJGZABLRK-HNNXBMFYSA-N 1 1 332.404 0.579 20 30 ECEDMO C[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)[NH+]1CCN(C)CC1 ZINC000111661728 436631750 /nfs/dbraw/zinc/63/17/50/436631750.db2.gz KVXBMDOTMDTWPP-OAHLLOKOSA-N 1 1 330.432 0.884 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000058923158 436629886 /nfs/dbraw/zinc/62/98/86/436629886.db2.gz LHSMRHOCVYPHIK-UHFFFAOYSA-N 1 1 331.482 0.767 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000194719024 436670335 /nfs/dbraw/zinc/67/03/35/436670335.db2.gz XCVKWBBKYPJKLL-CQSZACIVSA-N 1 1 337.445 0.975 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000120012205 436676612 /nfs/dbraw/zinc/67/66/12/436676612.db2.gz RGQSUSGXMVPAJP-GZBFAFLISA-N 1 1 348.447 0.862 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000271082876 436678230 /nfs/dbraw/zinc/67/82/30/436678230.db2.gz RVSOOUHFGANZIO-ZDUSSCGKSA-N 1 1 332.408 0.644 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2sccc2C#N)CC1 ZINC000152353061 436728373 /nfs/dbraw/zinc/72/83/73/436728373.db2.gz UDJQDVHDAWCBMV-CYBMUJFWSA-N 1 1 332.429 0.998 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000068444662 436745592 /nfs/dbraw/zinc/74/55/92/436745592.db2.gz MFJNMICGYFGDOQ-LBPRGKRZSA-N 1 1 331.338 0.565 20 30 ECEDMO C=CC[N@@H+](C)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000121478507 436718299 /nfs/dbraw/zinc/71/82/99/436718299.db2.gz NELHBANQFHQCIE-UHFFFAOYSA-N 1 1 325.434 0.501 20 30 ECEDMO N#Cc1cccc(OCCC[N@H+](CCO)CCN2CCOCC2)c1 ZINC000156635105 436819267 /nfs/dbraw/zinc/81/92/67/436819267.db2.gz ICCSSGVFTKEFIE-UHFFFAOYSA-N 1 1 333.432 0.954 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000126451267 436787821 /nfs/dbraw/zinc/78/78/21/436787821.db2.gz OKJZJUHWIGJPPK-MRXNPFEDSA-N 1 1 337.512 0.952 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126451267 436787822 /nfs/dbraw/zinc/78/78/22/436787822.db2.gz OKJZJUHWIGJPPK-MRXNPFEDSA-N 1 1 337.512 0.952 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000273941621 436788735 /nfs/dbraw/zinc/78/87/35/436788735.db2.gz GLMHJKIGWJFJRZ-HZPDHXFCSA-N 1 1 344.415 0.834 20 30 ECEDMO C#CCNC(=O)CC[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000292927007 436838256 /nfs/dbraw/zinc/83/82/56/436838256.db2.gz YOPBDZRHXDYBLY-UHFFFAOYSA-N 1 1 340.427 0.865 20 30 ECEDMO CC#CCN(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000293309465 436867052 /nfs/dbraw/zinc/86/70/52/436867052.db2.gz DZIRSTBKSWIFIH-UHFFFAOYSA-N 1 1 330.388 0.607 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293358901 436870098 /nfs/dbraw/zinc/87/00/98/436870098.db2.gz ZTFJXLZPQROLRM-UHFFFAOYSA-N 1 1 344.371 0.492 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000293396456 436873522 /nfs/dbraw/zinc/87/35/22/436873522.db2.gz OAQBPMHWMOXRLO-UHFFFAOYSA-N 1 1 337.449 0.845 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCc1nc(-c2ncccn2)no1 ZINC000293899327 436918846 /nfs/dbraw/zinc/91/88/46/436918846.db2.gz FDDRABCRIQCTIP-UHFFFAOYSA-N 1 1 328.376 0.531 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1 ZINC000293429291 436876881 /nfs/dbraw/zinc/87/68/81/436876881.db2.gz QSNXJRXKWCLVMJ-UHFFFAOYSA-N 1 1 346.387 0.875 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000293685178 436899526 /nfs/dbraw/zinc/89/95/26/436899526.db2.gz BIVIUTYSKXUFSN-UHFFFAOYSA-N 1 1 346.406 0.521 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280527778 436901763 /nfs/dbraw/zinc/90/17/63/436901763.db2.gz ORJLEQMBVNJXKN-LRDDRELGSA-N 1 1 325.409 0.657 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280527778 436901769 /nfs/dbraw/zinc/90/17/69/436901769.db2.gz ORJLEQMBVNJXKN-LRDDRELGSA-N 1 1 325.409 0.657 20 30 ECEDMO C=CCN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000293758114 436906626 /nfs/dbraw/zinc/90/66/26/436906626.db2.gz MSMLFWAMZFUJNN-MRXNPFEDSA-N 1 1 348.447 0.628 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000295885611 436980984 /nfs/dbraw/zinc/98/09/84/436980984.db2.gz PTHRMMPCUFZFGD-HZPDHXFCSA-N 1 1 330.432 0.747 20 30 ECEDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC[C@@H]21 ZINC000294080193 436932187 /nfs/dbraw/zinc/93/21/87/436932187.db2.gz LSJHHKZHKVVPSY-KBPBESRZSA-N 1 1 327.388 0.834 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000294062014 436932813 /nfs/dbraw/zinc/93/28/13/436932813.db2.gz JZUIECIFQXHUHX-UHFFFAOYSA-N 1 1 326.322 0.760 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCO[C@@H](C)C3)CC2)o1 ZINC000170766456 436952800 /nfs/dbraw/zinc/95/28/00/436952800.db2.gz LBVSYVVKJKKDDB-ZDUSSCGKSA-N 1 1 347.419 0.614 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000275308712 436954023 /nfs/dbraw/zinc/95/40/23/436954023.db2.gz YFWQGNHAXDACEJ-UHFFFAOYSA-N 1 1 332.408 0.598 20 30 ECEDMO N#Cc1ccc(CN2CCC[N@H+](CCCS(N)(=O)=O)CC2)cc1 ZINC000170907957 436960031 /nfs/dbraw/zinc/96/00/31/436960031.db2.gz PUVGAAOGAXNBQQ-UHFFFAOYSA-N 1 1 336.461 0.745 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(CCCS(N)(=O)=O)CC2)cc1 ZINC000170907957 436960036 /nfs/dbraw/zinc/96/00/36/436960036.db2.gz PUVGAAOGAXNBQQ-UHFFFAOYSA-N 1 1 336.461 0.745 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCCS(N)(=O)=O)CC2)cc1 ZINC000170907957 436960039 /nfs/dbraw/zinc/96/00/39/436960039.db2.gz PUVGAAOGAXNBQQ-UHFFFAOYSA-N 1 1 336.461 0.745 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000283001744 437022387 /nfs/dbraw/zinc/02/23/87/437022387.db2.gz YXARUJZLKWTQIP-AWEZNQCLSA-N 1 1 336.461 0.971 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000283001744 437022393 /nfs/dbraw/zinc/02/23/93/437022393.db2.gz YXARUJZLKWTQIP-AWEZNQCLSA-N 1 1 336.461 0.971 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCn1cc(Br)cn1 ZINC000296574325 436993467 /nfs/dbraw/zinc/99/34/67/436993467.db2.gz ITZJGJHBIPRTHG-UHFFFAOYSA-N 1 1 342.241 0.900 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298782192 437053187 /nfs/dbraw/zinc/05/31/87/437053187.db2.gz YEJMLPDOEVCASE-CABCVRRESA-N 1 1 343.493 0.837 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284500302 437054764 /nfs/dbraw/zinc/05/47/64/437054764.db2.gz HAXLCLWECWLNBP-CVEARBPZSA-N 1 1 334.424 0.159 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284500302 437054766 /nfs/dbraw/zinc/05/47/66/437054766.db2.gz HAXLCLWECWLNBP-CVEARBPZSA-N 1 1 334.424 0.159 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000299340169 437071250 /nfs/dbraw/zinc/07/12/50/437071250.db2.gz QUCASFPOTRCHKM-ARFHVFGLSA-N 1 1 345.443 0.718 20 30 ECEDMO Cn1nccc1[C@H]1[C@H](CNC(=O)CN2CN=NC2=O)CCC[N@H+]1C ZINC000329192022 303096105 /nfs/dbraw/zinc/09/61/05/303096105.db2.gz QQHQBLDLYOMRJU-SMDDNHRTSA-N 1 1 333.396 0.757 20 30 ECEDMO C=CCN(CCc1ccccc1)C(=O)C(=O)NCC[N@H+](C)CCOC ZINC000285844354 437086185 /nfs/dbraw/zinc/08/61/85/437086185.db2.gz GWJLRHHKXGSJCF-UHFFFAOYSA-N 1 1 347.459 0.938 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000286465435 437090068 /nfs/dbraw/zinc/09/00/68/437090068.db2.gz KFTQCWGRGCSOID-OKILXGFUSA-N 1 1 343.493 0.637 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cccc(CS(N)(=O)=O)c2)CC1 ZINC000299627748 437097815 /nfs/dbraw/zinc/09/78/15/437097815.db2.gz XZXVGDGWRUSADH-UHFFFAOYSA-N 1 1 335.429 0.256 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000176926236 437164211 /nfs/dbraw/zinc/16/42/11/437164211.db2.gz OLMISGYBXXAXRL-HZPDHXFCSA-N 1 1 331.416 0.864 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000176926236 437164217 /nfs/dbraw/zinc/16/42/17/437164217.db2.gz OLMISGYBXXAXRL-HZPDHXFCSA-N 1 1 331.416 0.864 20 30 ECEDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000332000283 437192342 /nfs/dbraw/zinc/19/23/42/437192342.db2.gz RLNOYINRXZJZKK-ZDUSSCGKSA-N 1 1 329.466 0.787 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000332000283 437192345 /nfs/dbraw/zinc/19/23/45/437192345.db2.gz RLNOYINRXZJZKK-ZDUSSCGKSA-N 1 1 329.466 0.787 20 30 ECEDMO CN(C)C1(C#N)CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332055327 437202601 /nfs/dbraw/zinc/20/26/01/437202601.db2.gz OIWCLLZRHIXHPZ-GJZGRUSLSA-N 1 1 347.463 0.176 20 30 ECEDMO CCOC(=O)CON=C(C(=O)N[C@@H](C)CC[NH+](C)C)c1ccn[nH]1 ZINC000277966914 437267030 /nfs/dbraw/zinc/26/70/30/437267030.db2.gz LDYOQTSEYWYLBZ-FXONDUCNSA-N 1 1 339.396 0.150 20 30 ECEDMO CNC(=O)c1ccn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000328647248 437246474 /nfs/dbraw/zinc/24/64/74/437246474.db2.gz TWAJAASRZBSSJV-UONOGXRCSA-N 1 1 346.435 0.640 20 30 ECEDMO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277799794 437255210 /nfs/dbraw/zinc/25/52/10/437255210.db2.gz KNMFKRGFJPNTDP-CVEARBPZSA-N 1 1 326.400 0.870 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277799794 437255215 /nfs/dbraw/zinc/25/52/15/437255215.db2.gz KNMFKRGFJPNTDP-CVEARBPZSA-N 1 1 326.400 0.870 20 30 ECEDMO C#CC[NH+]1CCC(c2nc(CC(=O)N3CCN(C)CC3)no2)CC1 ZINC000277856921 437259236 /nfs/dbraw/zinc/25/92/36/437259236.db2.gz LZRIPXHWBIPGLO-UHFFFAOYSA-N 1 1 331.420 0.199 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000336900599 437307426 /nfs/dbraw/zinc/30/74/26/437307426.db2.gz BLXYIVOHWNOCLT-HUUCEWRRSA-N 1 1 346.497 0.946 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000336900595 437307617 /nfs/dbraw/zinc/30/76/17/437307617.db2.gz BLXYIVOHWNOCLT-CABCVRRESA-N 1 1 346.497 0.946 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000329108377 437318645 /nfs/dbraw/zinc/31/86/45/437318645.db2.gz FPKBZNJYVKUPJT-ILXRZTDVSA-N 1 1 338.452 0.706 20 30 ECEDMO CS[C@H]1CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000333421387 437271569 /nfs/dbraw/zinc/27/15/69/437271569.db2.gz LYOFFKRAFSELEZ-ZDUSSCGKSA-N 1 1 349.460 0.941 20 30 ECEDMO C=CCN1CC[C@@H](N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C1=O ZINC000328858869 437273596 /nfs/dbraw/zinc/27/35/96/437273596.db2.gz YKYUUTYCRWRQHK-CQSZACIVSA-N 1 1 330.436 0.452 20 30 ECEDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NC[C@@]1(O)CCOC1 ZINC000328863904 437275317 /nfs/dbraw/zinc/27/53/17/437275317.db2.gz VZJNDCFYGXTBSK-SFHVURJKSA-N 1 1 349.431 0.674 20 30 ECEDMO O=C(N1CCCC1)[C@]1(O)CCCN(C([O-])=[NH+]CCn2ccnc2)C1 ZINC000328956887 437291892 /nfs/dbraw/zinc/29/18/92/437291892.db2.gz NTOSBOPYORHBBC-INIZCTEOSA-N 1 1 335.408 0.246 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000329243230 437341605 /nfs/dbraw/zinc/34/16/05/437341605.db2.gz SSRNBMXSSXNMMY-CQSZACIVSA-N 1 1 340.493 0.894 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(CC[N@H+]([C@H](C)C(=O)NC)C3)C2)nn1 ZINC001041728412 782068584 /nfs/dbraw/zinc/06/85/84/782068584.db2.gz HWUXJPMPDUQXTK-DYVFJYSZSA-N 1 1 346.435 0.137 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000278997030 437363312 /nfs/dbraw/zinc/36/33/12/437363312.db2.gz CFDKDTJUNJOOMG-KRWDZBQOSA-N 1 1 344.371 0.620 20 30 ECEDMO C[C@]1(O)CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000182819578 437365198 /nfs/dbraw/zinc/36/51/98/437365198.db2.gz FFPPUJGEVGJXBQ-YOEHRIQHSA-N 1 1 348.472 0.914 20 30 ECEDMO C[NH+](C)CCN(C(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000268143548 437373267 /nfs/dbraw/zinc/37/32/67/437373267.db2.gz DQWZLMFAIRXRJA-INIZCTEOSA-N 1 1 349.456 0.678 20 30 ECEDMO C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181748363 437329901 /nfs/dbraw/zinc/32/99/01/437329901.db2.gz DLWKVUPYUAQMKR-INIZCTEOSA-N 1 1 346.431 0.355 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000337096069 437331025 /nfs/dbraw/zinc/33/10/25/437331025.db2.gz QWCMMAPCWYCBPI-LSDHHAIUSA-N 1 1 342.465 0.310 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000337096063 437331093 /nfs/dbraw/zinc/33/10/93/437331093.db2.gz QWCMMAPCWYCBPI-GJZGRUSLSA-N 1 1 342.465 0.310 20 30 ECEDMO C[N@@H+]1CC=C(CNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000329213853 437334572 /nfs/dbraw/zinc/33/45/72/437334572.db2.gz KDCFGLOJMGADTP-CYBMUJFWSA-N 1 1 330.454 0.033 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000337148029 437336174 /nfs/dbraw/zinc/33/61/74/437336174.db2.gz GTEWCCBDSYYRIU-UONOGXRCSA-N 1 1 328.438 0.062 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000337160447 437337868 /nfs/dbraw/zinc/33/78/68/437337868.db2.gz SXUDYDRHLSHURN-KBPBESRZSA-N 1 1 332.470 0.413 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000337170271 437338848 /nfs/dbraw/zinc/33/88/48/437338848.db2.gz DZSZFFSPTGJHKB-UONOGXRCSA-N 1 1 332.470 0.101 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCc2nnnn2-c2ccccc2)C1=O ZINC000337204628 437339168 /nfs/dbraw/zinc/33/91/68/437339168.db2.gz IBFQVHYHDLEIDV-OAHLLOKOSA-N 1 1 326.404 0.924 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCc2nnnn2-c2ccccc2)C1=O ZINC000337204628 437339173 /nfs/dbraw/zinc/33/91/73/437339173.db2.gz IBFQVHYHDLEIDV-OAHLLOKOSA-N 1 1 326.404 0.924 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329231448 437339590 /nfs/dbraw/zinc/33/95/90/437339590.db2.gz KQGCQSJDBKUGCQ-BZUAXINKSA-N 1 1 341.452 0.891 20 30 ECEDMO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H]3COC[C@H]3n3ccnn3)C2)CC1 ZINC000329237963 437339636 /nfs/dbraw/zinc/33/96/36/437339636.db2.gz PJAIMTIXXYFKTL-HRCADAONSA-N 1 1 348.451 0.796 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC([O-])=[NH+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000329772258 437411489 /nfs/dbraw/zinc/41/14/89/437411489.db2.gz KKYNDPIDOSBVRP-QWHCGFSZSA-N 1 1 348.451 0.727 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000329772258 437411495 /nfs/dbraw/zinc/41/14/95/437411495.db2.gz KKYNDPIDOSBVRP-QWHCGFSZSA-N 1 1 348.451 0.727 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000329772258 437411499 /nfs/dbraw/zinc/41/14/99/437411499.db2.gz KKYNDPIDOSBVRP-QWHCGFSZSA-N 1 1 348.451 0.727 20 30 ECEDMO Cc1nc2ccc(NC(=O)N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)cn2n1 ZINC000329786599 437413368 /nfs/dbraw/zinc/41/33/68/437413368.db2.gz QRPNUOXRGTZGFV-RYUDHWBXSA-N 1 1 332.408 0.970 20 30 ECEDMO Cc1nc2ccc(NC(=O)N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)cn2n1 ZINC000329786599 437413370 /nfs/dbraw/zinc/41/33/70/437413370.db2.gz QRPNUOXRGTZGFV-RYUDHWBXSA-N 1 1 332.408 0.970 20 30 ECEDMO CN1C(=O)N[C@@]2(CCN(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)C2)C1=O ZINC000329525179 437379703 /nfs/dbraw/zinc/37/97/03/437379703.db2.gz GYMRIZOXIUQFBA-SUMWQHHRSA-N 1 1 349.435 0.748 20 30 ECEDMO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000337837972 437380344 /nfs/dbraw/zinc/38/03/44/437380344.db2.gz DEKOXQMBRMLELD-KBPBESRZSA-N 1 1 335.408 0.073 20 30 ECEDMO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000337837972 437380346 /nfs/dbraw/zinc/38/03/46/437380346.db2.gz DEKOXQMBRMLELD-KBPBESRZSA-N 1 1 335.408 0.073 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000329558621 437383350 /nfs/dbraw/zinc/38/33/50/437383350.db2.gz QTZLHHKVDNVGBV-SQWLQELKSA-N 1 1 327.425 0.237 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183785790 437390778 /nfs/dbraw/zinc/39/07/78/437390778.db2.gz WKWMYVSLQPOQJU-AWEZNQCLSA-N 1 1 331.420 0.994 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183785790 437390782 /nfs/dbraw/zinc/39/07/82/437390782.db2.gz WKWMYVSLQPOQJU-AWEZNQCLSA-N 1 1 331.420 0.994 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000183906356 437393758 /nfs/dbraw/zinc/39/37/58/437393758.db2.gz YAEGIGRPBUHMLF-UHFFFAOYSA-N 1 1 327.450 0.664 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(C(N)=O)CC2)CC1 ZINC000183826437 437394449 /nfs/dbraw/zinc/39/44/49/437394449.db2.gz OPPKKTUQJHMJKO-LBPRGKRZSA-N 1 1 347.444 0.064 20 30 ECEDMO CCn1cc(-c2n[nH]cc2C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000330233510 437472728 /nfs/dbraw/zinc/47/27/28/437472728.db2.gz SEYMRXMZKOVTRQ-CYBMUJFWSA-N 1 1 331.424 0.844 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000330238610 437473352 /nfs/dbraw/zinc/47/33/52/437473352.db2.gz IANZAOAEMSESDP-CHWSQXEVSA-N 1 1 325.457 0.135 20 30 ECEDMO CCn1cnnc1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000330273384 437478278 /nfs/dbraw/zinc/47/82/78/437478278.db2.gz ZDVGDKXZSLHOEV-ZDUSSCGKSA-N 1 1 336.440 0.897 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000339016129 437434681 /nfs/dbraw/zinc/43/46/81/437434681.db2.gz GHVIBDINFHMERP-UONOGXRCSA-N 1 1 330.454 0.262 20 30 ECEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000329958280 437438553 /nfs/dbraw/zinc/43/85/53/437438553.db2.gz PXTWDSUPQBRZJA-CQSZACIVSA-N 1 1 346.497 0.395 20 30 ECEDMO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCOCCC#N)C[C@H]1O ZINC000339152913 437444378 /nfs/dbraw/zinc/44/43/78/437444378.db2.gz HPAXVBBGLZNGAB-ZIAGYGMSSA-N 1 1 327.425 0.235 20 30 ECEDMO Cc1cc2ncc(C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)c(C)n2n1 ZINC000330057424 437448304 /nfs/dbraw/zinc/44/83/04/437448304.db2.gz XLMGDOUBPXGAIQ-QGZVFWFLSA-N 1 1 347.419 0.734 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000339398867 437463557 /nfs/dbraw/zinc/46/35/57/437463557.db2.gz DVXGWDOUCUCYMP-WCVJEAGWSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)[C@H](CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)OCC ZINC000339440343 437466727 /nfs/dbraw/zinc/46/67/27/437466727.db2.gz WSWVTKUDJJWQES-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C#CCNc1nc(NC[C@@H](O)C(C)C)nc(NC[C@@H](O)C(C)C)[nH+]1 ZINC000290545746 437499781 /nfs/dbraw/zinc/49/97/81/437499781.db2.gz FLOAIMDNVZFULU-CHWSQXEVSA-N 1 1 336.440 0.774 20 30 ECEDMO CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)N(C)CCC#N)[C@@H](C)C1 ZINC000360059807 437511803 /nfs/dbraw/zinc/51/18/03/437511803.db2.gz JJMPAVDUDBYFOA-LSDHHAIUSA-N 1 1 346.497 0.803 20 30 ECEDMO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000330495152 437531277 /nfs/dbraw/zinc/53/12/77/437531277.db2.gz VUPXUUZVRINPFZ-RKDXNWHRSA-N 1 1 339.314 0.852 20 30 ECEDMO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000330495152 437531282 /nfs/dbraw/zinc/53/12/82/437531282.db2.gz VUPXUUZVRINPFZ-RKDXNWHRSA-N 1 1 339.314 0.852 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(S(N)(=O)=O)oc2C)C1 ZINC000330673007 437585322 /nfs/dbraw/zinc/58/53/22/437585322.db2.gz DWSGPBXCURHFDX-JTQLQIEISA-N 1 1 331.394 0.261 20 30 ECEDMO COC(=O)[C@@H]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000330820830 437625695 /nfs/dbraw/zinc/62/56/95/437625695.db2.gz DDGLBTBDEITIEK-UONOGXRCSA-N 1 1 327.425 0.754 20 30 ECEDMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292060478 437653860 /nfs/dbraw/zinc/65/38/60/437653860.db2.gz BYACYQUQNCJSFQ-CWRNSKLLSA-N 1 1 335.404 0.819 20 30 ECEDMO CN(CC(=O)N(CCC#N)CCC[NH+](C)C)c1ncnc2[nH]cnc21 ZINC000354902575 437657109 /nfs/dbraw/zinc/65/71/09/437657109.db2.gz PDTUZTVPCOEGDK-UHFFFAOYSA-N 1 1 344.423 0.483 20 30 ECEDMO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000330962650 437658833 /nfs/dbraw/zinc/65/88/33/437658833.db2.gz YWQGHPATHOJLQZ-CYBMUJFWSA-N 1 1 340.449 0.645 20 30 ECEDMO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000330962650 437658839 /nfs/dbraw/zinc/65/88/39/437658839.db2.gz YWQGHPATHOJLQZ-CYBMUJFWSA-N 1 1 340.449 0.645 20 30 ECEDMO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000355034543 437663889 /nfs/dbraw/zinc/66/38/89/437663889.db2.gz GCDWADPHXGSOJW-VXGBXAGGSA-N 1 1 334.380 0.072 20 30 ECEDMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000355034543 437663892 /nfs/dbraw/zinc/66/38/92/437663892.db2.gz GCDWADPHXGSOJW-VXGBXAGGSA-N 1 1 334.380 0.072 20 30 ECEDMO Cn1c(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(C#N)c(=O)n(C)c1=O ZINC000361809984 437689402 /nfs/dbraw/zinc/68/94/02/437689402.db2.gz BGMIVBABRWPQSL-ZIAGYGMSSA-N 1 1 347.419 0.011 20 30 ECEDMO CO[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(C)C ZINC000331144734 437697899 /nfs/dbraw/zinc/69/78/99/437697899.db2.gz SDRXEBQPKQXTPN-LSDHHAIUSA-N 1 1 340.468 0.810 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000331225371 437723060 /nfs/dbraw/zinc/72/30/60/437723060.db2.gz CBEJUHPLAIOUEP-MSOLQXFVSA-N 1 1 349.523 0.951 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCN(C)C[C@H]2C(C)C)CC1 ZINC000331225371 437723069 /nfs/dbraw/zinc/72/30/69/437723069.db2.gz CBEJUHPLAIOUEP-MSOLQXFVSA-N 1 1 349.523 0.951 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCN(C)C[C@H]2C(C)C)CC1 ZINC000331225371 437723073 /nfs/dbraw/zinc/72/30/73/437723073.db2.gz CBEJUHPLAIOUEP-MSOLQXFVSA-N 1 1 349.523 0.951 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000331236301 437724473 /nfs/dbraw/zinc/72/44/73/437724473.db2.gz UGNHTCPSQWHSOJ-AGIUHOORSA-N 1 1 342.440 0.760 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000345901869 437799055 /nfs/dbraw/zinc/79/90/55/437799055.db2.gz ICACDIOFHFPKNO-QGZVFWFLSA-N 1 1 340.427 0.866 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)CC1 ZINC000341134938 437800684 /nfs/dbraw/zinc/80/06/84/437800684.db2.gz YMQSHUZCHBDVCM-ULQDDVLXSA-N 1 1 335.496 0.703 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000363664745 437802380 /nfs/dbraw/zinc/80/23/80/437802380.db2.gz DENTVGLOEUYCLG-CYBMUJFWSA-N 1 1 332.408 0.389 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2ncccn2)CC1 ZINC000363664745 437802383 /nfs/dbraw/zinc/80/23/83/437802383.db2.gz DENTVGLOEUYCLG-CYBMUJFWSA-N 1 1 332.408 0.389 20 30 ECEDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H](C)C#N ZINC000423698041 437806150 /nfs/dbraw/zinc/80/61/50/437806150.db2.gz MDCMIENZQLGFML-HIFRSBDPSA-N 1 1 344.415 0.786 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000346529402 437814307 /nfs/dbraw/zinc/81/43/07/437814307.db2.gz KGOBCMISAYOQIO-GHMZBOCLSA-N 1 1 346.353 0.938 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000364939680 437833376 /nfs/dbraw/zinc/83/33/76/437833376.db2.gz YRFQBWHAQBZUMC-AWEZNQCLSA-N 1 1 347.415 0.861 20 30 ECEDMO C=CC[C@@H](CO)CNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000341697146 437888716 /nfs/dbraw/zinc/88/87/16/437888716.db2.gz WYCATQKOHKVYCM-CVEARBPZSA-N 1 1 326.485 0.742 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000341697147 437889277 /nfs/dbraw/zinc/88/92/77/437889277.db2.gz WYCATQKOHKVYCM-HOTGVXAUSA-N 1 1 326.485 0.742 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000341799747 437899370 /nfs/dbraw/zinc/89/93/70/437899370.db2.gz HJRPGYQTIGYZES-LSDHHAIUSA-N 1 1 340.468 0.413 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000416492716 437944949 /nfs/dbraw/zinc/94/49/49/437944949.db2.gz BDDMCWBFFDOROY-CYBMUJFWSA-N 1 1 337.445 0.832 20 30 ECEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC(=O)NCC#N)c2C1 ZINC000357311575 437962051 /nfs/dbraw/zinc/96/20/51/437962051.db2.gz QASQYZRTJKWQAE-UHFFFAOYSA-N 1 1 343.387 0.107 20 30 ECEDMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC(=O)NCC#N)c2C1 ZINC000357311575 437962054 /nfs/dbraw/zinc/96/20/54/437962054.db2.gz QASQYZRTJKWQAE-UHFFFAOYSA-N 1 1 343.387 0.107 20 30 ECEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C2(C(N)=O)CC2)cc1 ZINC000347801520 437964237 /nfs/dbraw/zinc/96/42/37/437964237.db2.gz MVXRBHWKFZRAMV-UHFFFAOYSA-N 1 1 330.388 0.939 20 30 ECEDMO COC(=O)[C@@H]1CC[N@@H+](CC#CCN2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000342117359 437972105 /nfs/dbraw/zinc/97/21/05/437972105.db2.gz AVFNSJMAVGQGFM-GEEKYZPCSA-N 1 1 336.432 0.757 20 30 ECEDMO COC(=O)[C@@H]1CC[N@H+](CC#CCN2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000342117359 437972109 /nfs/dbraw/zinc/97/21/09/437972109.db2.gz AVFNSJMAVGQGFM-GEEKYZPCSA-N 1 1 336.432 0.757 20 30 ECEDMO COC(=O)[C@@H]1CCN(CC#CC[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000342117359 437972112 /nfs/dbraw/zinc/97/21/12/437972112.db2.gz AVFNSJMAVGQGFM-GEEKYZPCSA-N 1 1 336.432 0.757 20 30 ECEDMO COC(=O)[C@@H]1CCN(CC#CC[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000342117359 437972116 /nfs/dbraw/zinc/97/21/16/437972116.db2.gz AVFNSJMAVGQGFM-GEEKYZPCSA-N 1 1 336.432 0.757 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)nn1 ZINC000424659117 437981113 /nfs/dbraw/zinc/98/11/13/437981113.db2.gz FUMWNTNLIQHERK-UHFFFAOYSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CC[C@H](CO)NC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000371982375 438019266 /nfs/dbraw/zinc/01/92/66/438019266.db2.gz ZXLSDRWLUHGCKQ-OAHLLOKOSA-N 1 1 338.452 0.309 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC000426163287 438048718 /nfs/dbraw/zinc/04/87/18/438048718.db2.gz VYBJYNWVLLCAGT-QMTHXVAHSA-N 1 1 346.353 0.795 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CCC(=O)N(C)CCC#N ZINC000372273663 438059284 /nfs/dbraw/zinc/05/92/84/438059284.db2.gz NIFCOXZORLRQEI-UONOGXRCSA-N 1 1 325.409 0.791 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372274640 438060403 /nfs/dbraw/zinc/06/04/03/438060403.db2.gz PWJUPBOYWWEAHD-STQMWFEESA-N 1 1 333.436 0.982 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372274640 438060410 /nfs/dbraw/zinc/06/04/10/438060410.db2.gz PWJUPBOYWWEAHD-STQMWFEESA-N 1 1 333.436 0.982 20 30 ECEDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CC(=O)N(CC)CCC#N ZINC000372291005 438064172 /nfs/dbraw/zinc/06/41/72/438064172.db2.gz ZSXSWOJUKUBPKY-KGLIPLIRSA-N 1 1 325.409 0.791 20 30 ECEDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CC(=O)N(CC)CCC#N ZINC000372291005 438064174 /nfs/dbraw/zinc/06/41/74/438064174.db2.gz ZSXSWOJUKUBPKY-KGLIPLIRSA-N 1 1 325.409 0.791 20 30 ECEDMO C=CCNC(=O)NC(=O)CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372331079 438070232 /nfs/dbraw/zinc/07/02/32/438070232.db2.gz NGUKCXFVUUPINH-RBSFLKMASA-N 1 1 338.452 0.477 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000372331079 438070233 /nfs/dbraw/zinc/07/02/33/438070233.db2.gz NGUKCXFVUUPINH-RBSFLKMASA-N 1 1 338.452 0.477 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000357815707 438075642 /nfs/dbraw/zinc/07/56/42/438075642.db2.gz MASHHRWNQHDJCV-AVOUXACISA-N 1 1 335.452 0.871 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000372709404 438108240 /nfs/dbraw/zinc/10/82/40/438108240.db2.gz ATGYFXHAGJVXEN-LBPRGKRZSA-N 1 1 348.378 0.551 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000430382165 438110641 /nfs/dbraw/zinc/11/06/41/438110641.db2.gz DHVQUUHERURWEQ-GOEBONIOSA-N 1 1 335.448 0.781 20 30 ECEDMO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CC(=O)NCC#N ZINC000430927625 438131769 /nfs/dbraw/zinc/13/17/69/438131769.db2.gz JANMVBBGCFNAKP-UHFFFAOYSA-N 1 1 335.496 0.754 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)nn1CCC#N ZINC000373178566 438131920 /nfs/dbraw/zinc/13/19/20/438131920.db2.gz LYXWQJJICNTWMF-ZIAGYGMSSA-N 1 1 344.419 0.596 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000366977658 438148727 /nfs/dbraw/zinc/14/87/27/438148727.db2.gz VFBSFOIVAUFRBO-KGLIPLIRSA-N 1 1 344.481 0.650 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000366977658 438148731 /nfs/dbraw/zinc/14/87/31/438148731.db2.gz VFBSFOIVAUFRBO-KGLIPLIRSA-N 1 1 344.481 0.650 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)c1C#N ZINC000418519277 438155548 /nfs/dbraw/zinc/15/55/48/438155548.db2.gz BAFSYNZMFRLWSL-UHFFFAOYSA-N 1 1 341.366 0.026 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000349746771 438173640 /nfs/dbraw/zinc/17/36/40/438173640.db2.gz PYMZNTRCODLYDX-IAGOWNOFSA-N 1 1 325.416 0.603 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)n1 ZINC000375067799 438242200 /nfs/dbraw/zinc/24/22/00/438242200.db2.gz ZAPHLJMVCPGNQB-TZMCWYRMSA-N 1 1 344.419 0.827 20 30 ECEDMO N#CCc1cccc(C(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000432532709 438201077 /nfs/dbraw/zinc/20/10/77/438201077.db2.gz UVRPDGBKMAFPPV-UHFFFAOYSA-N 1 1 344.459 0.873 20 30 ECEDMO Cc1ccc(N2CCC[C@H](C(=O)NCCn3cnc(C#N)n3)C2)[nH+]c1 ZINC000367417105 438206444 /nfs/dbraw/zinc/20/64/44/438206444.db2.gz CLGVOZLRVCPPPT-AWEZNQCLSA-N 1 1 339.403 0.886 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC(=O)NCC#N ZINC000376566156 438285508 /nfs/dbraw/zinc/28/55/08/438285508.db2.gz SBNBXTNNASYHMR-UKRRQHHQSA-N 1 1 329.404 0.446 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000376823153 438294747 /nfs/dbraw/zinc/29/47/47/438294747.db2.gz NQJKUNZXGRHKTH-ZDUSSCGKSA-N 1 1 329.404 0.513 20 30 ECEDMO C=CCOC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C(=O)OC ZINC000435933124 438392589 /nfs/dbraw/zinc/39/25/89/438392589.db2.gz BIBBNEXMVIYDLQ-CABCVRRESA-N 1 1 340.420 0.490 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)nn1CCC#N ZINC000378490578 438393809 /nfs/dbraw/zinc/39/38/09/438393809.db2.gz DTNYJHLNIKAPHG-UONOGXRCSA-N 1 1 344.419 0.596 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000392560819 438443100 /nfs/dbraw/zinc/44/31/00/438443100.db2.gz MGMMYUAUNJIXFT-BZUAXINKSA-N 1 1 329.400 0.898 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000352367477 438413969 /nfs/dbraw/zinc/41/39/69/438413969.db2.gz PCCNKGOGWVYFGF-QGZVFWFLSA-N 1 1 325.453 0.884 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)c(Cl)c1 ZINC000403979905 438464553 /nfs/dbraw/zinc/46/45/53/438464553.db2.gz APGIERYMGGJEJP-QWHCGFSZSA-N 1 1 341.820 0.963 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC000405313531 438467604 /nfs/dbraw/zinc/46/76/04/438467604.db2.gz QBEOPHOJGXBFTI-NWDGAFQWSA-N 1 1 341.820 0.651 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC000405313531 438467606 /nfs/dbraw/zinc/46/76/06/438467606.db2.gz QBEOPHOJGXBFTI-NWDGAFQWSA-N 1 1 341.820 0.651 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000407971384 438475340 /nfs/dbraw/zinc/47/53/40/438475340.db2.gz AWBNJSVRNRUUIK-STQMWFEESA-N 1 1 332.470 0.242 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000407971384 438475343 /nfs/dbraw/zinc/47/53/43/438475343.db2.gz AWBNJSVRNRUUIK-STQMWFEESA-N 1 1 332.470 0.242 20 30 ECEDMO C[N@@H+](CCC(N)=O)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000353184445 438502568 /nfs/dbraw/zinc/50/25/68/438502568.db2.gz RDCCHEFRYOTERN-CYBMUJFWSA-N 1 1 349.460 0.264 20 30 ECEDMO C=CCOCCCC(=O)N1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000369826798 438521046 /nfs/dbraw/zinc/52/10/46/438521046.db2.gz AOQKMUCHWLEQJD-KRWDZBQOSA-N 1 1 339.480 0.834 20 30 ECEDMO C=CCOCCCC(=O)N1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369826798 438521048 /nfs/dbraw/zinc/52/10/48/438521048.db2.gz AOQKMUCHWLEQJD-KRWDZBQOSA-N 1 1 339.480 0.834 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000441245706 438581025 /nfs/dbraw/zinc/58/10/25/438581025.db2.gz NLZOQXIONZCPFC-ZBFHGGJFSA-N 1 1 325.409 0.287 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)N(C)CCC#N ZINC000408360015 438560725 /nfs/dbraw/zinc/56/07/25/438560725.db2.gz RCCYQRKBEATAQM-CYBMUJFWSA-N 1 1 330.454 0.262 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)N(C)CCC#N ZINC000408360015 438560727 /nfs/dbraw/zinc/56/07/27/438560727.db2.gz RCCYQRKBEATAQM-CYBMUJFWSA-N 1 1 330.454 0.262 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cc1C#N ZINC000408362197 438560780 /nfs/dbraw/zinc/56/07/80/438560780.db2.gz MHAWHTHKKZPZNT-CABCVRRESA-N 1 1 336.417 0.355 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1C#N ZINC000408362197 438560783 /nfs/dbraw/zinc/56/07/83/438560783.db2.gz MHAWHTHKKZPZNT-CABCVRRESA-N 1 1 336.417 0.355 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000451997547 438624558 /nfs/dbraw/zinc/62/45/58/438624558.db2.gz SJUAPWLQBPUSPS-GJZGRUSLSA-N 1 1 345.399 0.887 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000451997547 438624561 /nfs/dbraw/zinc/62/45/61/438624561.db2.gz SJUAPWLQBPUSPS-GJZGRUSLSA-N 1 1 345.399 0.887 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411966438 438683962 /nfs/dbraw/zinc/68/39/62/438683962.db2.gz BOVLAYIAMIKXOO-CFVMTHIKSA-N 1 1 344.415 0.588 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412117290 438685004 /nfs/dbraw/zinc/68/50/04/438685004.db2.gz ZAJYMUTXFBDWFU-BFKWJSRZSA-N 1 1 337.464 0.981 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412117290 438685008 /nfs/dbraw/zinc/68/50/08/438685008.db2.gz ZAJYMUTXFBDWFU-BFKWJSRZSA-N 1 1 337.464 0.981 20 30 ECEDMO C=CCSCCNC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413193965 438691319 /nfs/dbraw/zinc/69/13/19/438691319.db2.gz HVTMCQWDOBGQSO-UHFFFAOYSA-N 1 1 331.482 0.894 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000453827408 438697160 /nfs/dbraw/zinc/69/71/60/438697160.db2.gz XMMZFTBXVKMVGZ-OAHLLOKOSA-N 1 1 330.388 0.460 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000576398471 438780911 /nfs/dbraw/zinc/78/09/11/438780911.db2.gz KOYOBKSMKPKBBS-UHFFFAOYSA-N 1 1 328.416 0.923 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)n(CCC#N)n1 ZINC000558871121 438829432 /nfs/dbraw/zinc/82/94/32/438829432.db2.gz CRZIRZHUGCEPLD-UHFFFAOYSA-N 1 1 330.392 0.422 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)n(CCC#N)n1 ZINC000558871121 438829441 /nfs/dbraw/zinc/82/94/41/438829441.db2.gz CRZIRZHUGCEPLD-UHFFFAOYSA-N 1 1 330.392 0.422 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)CC3(CC#N)CC3)[C@H]2C1 ZINC000577578825 438852805 /nfs/dbraw/zinc/85/28/05/438852805.db2.gz ZYRBCVGIQFNPGC-UONOGXRCSA-N 1 1 327.450 0.805 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cnc2c(C#N)cnn2c1 ZINC000564985720 438899715 /nfs/dbraw/zinc/89/97/15/438899715.db2.gz MISBBCKDVZBHFB-ZDUSSCGKSA-N 1 1 328.420 0.878 20 30 ECEDMO N#CC1(CC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000590142175 438901122 /nfs/dbraw/zinc/90/11/22/438901122.db2.gz DRUUGKCXMPODAW-UHFFFAOYSA-N 1 1 328.420 0.799 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@H]1C ZINC000601466271 438905279 /nfs/dbraw/zinc/90/52/79/438905279.db2.gz ZDGDZDDPUPNCNG-HOTGVXAUSA-N 1 1 349.479 0.375 20 30 ECEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@H]1C ZINC000601466272 438906040 /nfs/dbraw/zinc/90/60/40/438906040.db2.gz ZDGDZDDPUPNCNG-HZPDHXFCSA-N 1 1 349.479 0.375 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000595759395 438857161 /nfs/dbraw/zinc/85/71/61/438857161.db2.gz PJJKLBUPEQEIOU-SOLBZPMBSA-N 1 1 334.464 0.647 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C(N)=O)o2)cc1 ZINC000577741486 438868230 /nfs/dbraw/zinc/86/82/30/438868230.db2.gz NIVSAECICLMUAG-CYBMUJFWSA-N 1 1 329.356 0.974 20 30 ECEDMO C[C@@H]1CN(C(=O)NCC(=O)NCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000458774123 438915646 /nfs/dbraw/zinc/91/56/46/438915646.db2.gz MBZPFEZDELXRTB-HNNXBMFYSA-N 1 1 343.431 0.790 20 30 ECEDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000601742676 438964045 /nfs/dbraw/zinc/96/40/45/438964045.db2.gz XPNIKNHZYWRXGZ-RYUDHWBXSA-N 1 1 332.408 0.929 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000602040156 439001520 /nfs/dbraw/zinc/00/15/20/439001520.db2.gz WHIHYVHIDQIUPE-YGRLFVJLSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000602040156 439001523 /nfs/dbraw/zinc/00/15/23/439001523.db2.gz WHIHYVHIDQIUPE-YGRLFVJLSA-N 1 1 334.351 0.471 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c1C#N ZINC000602146996 439023768 /nfs/dbraw/zinc/02/37/68/439023768.db2.gz DMGMNWMIGKDHHS-CQSZACIVSA-N 1 1 330.436 0.591 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000519176850 439024920 /nfs/dbraw/zinc/02/49/20/439024920.db2.gz LIAGITFMYCGBKS-MRXNPFEDSA-N 1 1 332.448 0.878 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000566205469 439025701 /nfs/dbraw/zinc/02/57/01/439025701.db2.gz UHTLWCBQBKELEJ-BBRMVZONSA-N 1 1 328.416 0.968 20 30 ECEDMO N#Cc1cnn2cc(C[NH+]3CCC(N4CCCNC4=O)CC3)cnc12 ZINC000580565216 439105301 /nfs/dbraw/zinc/10/53/01/439105301.db2.gz ZPODINJBJRZQQT-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)N1CC[NH+](C)CC1 ZINC000591903879 439107227 /nfs/dbraw/zinc/10/72/27/439107227.db2.gz YGLTZZJUZFXNOH-WBVHZDCISA-N 1 1 337.468 0.318 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000597317211 439077693 /nfs/dbraw/zinc/07/76/93/439077693.db2.gz GEMQTIUAMWPQCD-QWHCGFSZSA-N 1 1 329.466 0.247 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000597317211 439077697 /nfs/dbraw/zinc/07/76/97/439077697.db2.gz GEMQTIUAMWPQCD-QWHCGFSZSA-N 1 1 329.466 0.247 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000591726548 439077939 /nfs/dbraw/zinc/07/79/39/439077939.db2.gz KYOJRHLDNDDJEQ-LSDHHAIUSA-N 1 1 334.445 0.943 20 30 ECEDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(CC#N)cc2)C1 ZINC000597348053 439081913 /nfs/dbraw/zinc/08/19/13/439081913.db2.gz WEZVLMASVAQMBH-MRXNPFEDSA-N 1 1 328.416 0.969 20 30 ECEDMO CCOC[C@@H](O)C[NH+]1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000591820133 439084420 /nfs/dbraw/zinc/08/44/20/439084420.db2.gz FXHWTADUBJBQSN-HNNXBMFYSA-N 1 1 330.432 0.961 20 30 ECEDMO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000592149371 439167018 /nfs/dbraw/zinc/16/70/18/439167018.db2.gz NSBIWBSYGLHXEH-SFHVURJKSA-N 1 1 346.406 0.825 20 30 ECEDMO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000592149371 439167022 /nfs/dbraw/zinc/16/70/22/439167022.db2.gz NSBIWBSYGLHXEH-SFHVURJKSA-N 1 1 346.406 0.825 20 30 ECEDMO C[N@@H+]1CCc2[nH]c3ccc(C(=O)NCC(=O)NCC#N)cc3c2C1 ZINC000597650292 439147798 /nfs/dbraw/zinc/14/77/98/439147798.db2.gz GCDPMBZEHIFFIM-UHFFFAOYSA-N 1 1 325.372 0.525 20 30 ECEDMO C[N@H+]1CCc2[nH]c3ccc(C(=O)NCC(=O)NCC#N)cc3c2C1 ZINC000597650292 439147802 /nfs/dbraw/zinc/14/78/02/439147802.db2.gz GCDPMBZEHIFFIM-UHFFFAOYSA-N 1 1 325.372 0.525 20 30 ECEDMO CN(C)C[C@@]1(O)CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878500 439150275 /nfs/dbraw/zinc/15/02/75/439150275.db2.gz XNDYARHIQMSSQZ-WBVHZDCISA-N 1 1 325.453 0.446 20 30 ECEDMO CN(C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878500 439150278 /nfs/dbraw/zinc/15/02/78/439150278.db2.gz XNDYARHIQMSSQZ-WBVHZDCISA-N 1 1 325.453 0.446 20 30 ECEDMO CN(C(=O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)C1(C#N)CCCCC1 ZINC000602934394 439164737 /nfs/dbraw/zinc/16/47/37/439164737.db2.gz HEKJHXMHLHNCNQ-CALCHBBNSA-N 1 1 346.431 0.656 20 30 ECEDMO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000592196113 439176420 /nfs/dbraw/zinc/17/64/20/439176420.db2.gz ADBRHJFKFLYQBG-LSDHHAIUSA-N 1 1 331.372 0.030 20 30 ECEDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000592196113 439176428 /nfs/dbraw/zinc/17/64/28/439176428.db2.gz ADBRHJFKFLYQBG-LSDHHAIUSA-N 1 1 331.372 0.030 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000602989699 439177420 /nfs/dbraw/zinc/17/74/20/439177420.db2.gz ZOQULMKWJJSYPG-UHFFFAOYSA-N 1 1 331.376 0.672 20 30 ECEDMO C[C@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)n1cnc(C#N)n1 ZINC000603120873 439196261 /nfs/dbraw/zinc/19/62/61/439196261.db2.gz XRCBCZWBOUPZRP-FRRDWIJNSA-N 1 1 332.408 0.326 20 30 ECEDMO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000603153782 439198748 /nfs/dbraw/zinc/19/87/48/439198748.db2.gz CKXFOFBEFOUZAJ-GOSISDBHSA-N 1 1 341.459 0.843 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000490615697 439277871 /nfs/dbraw/zinc/27/78/71/439277871.db2.gz HFESZPGUJYVXNB-GJZGRUSLSA-N 1 1 342.461 0.689 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000603400891 439257061 /nfs/dbraw/zinc/25/70/61/439257061.db2.gz CGRDNXJGIFPKNU-OAHLLOKOSA-N 1 1 345.513 0.330 20 30 ECEDMO N#Cc1ccc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nc1N ZINC000568651123 439267392 /nfs/dbraw/zinc/26/73/92/439267392.db2.gz JCXVBYJVIKGQIQ-UHFFFAOYSA-N 1 1 328.420 0.670 20 30 ECEDMO N#Cc1ccc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nc1N ZINC000568651123 439267394 /nfs/dbraw/zinc/26/73/94/439267394.db2.gz JCXVBYJVIKGQIQ-UHFFFAOYSA-N 1 1 328.420 0.670 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C)c1C(=O)OC ZINC000491071554 439328673 /nfs/dbraw/zinc/32/86/73/439328673.db2.gz LJWBCHLNSHKQQA-UHFFFAOYSA-N 1 1 345.399 0.791 20 30 ECEDMO C[C@](C#N)(NC(=O)CN1CCC[N@@H+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000603847940 439285334 /nfs/dbraw/zinc/28/53/34/439285334.db2.gz FZZVPPAYSFMOPP-SJLPKXTDSA-N 1 1 334.464 0.982 20 30 ECEDMO C#CCN(CC#CC)C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000490711987 439289477 /nfs/dbraw/zinc/28/94/77/439289477.db2.gz CAPSVBNMOSNADS-UHFFFAOYSA-N 1 1 332.448 0.645 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)CCOc2ccc(OC)cc2)CC1 ZINC000490778519 439298987 /nfs/dbraw/zinc/29/89/87/439298987.db2.gz GRNHYLMNVOYMLE-UHFFFAOYSA-N 1 1 345.443 0.783 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)CCOc2ccc(OC)cc2)CC1 ZINC000490778519 439298992 /nfs/dbraw/zinc/29/89/92/439298992.db2.gz GRNHYLMNVOYMLE-UHFFFAOYSA-N 1 1 345.443 0.783 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000490875833 439308354 /nfs/dbraw/zinc/30/83/54/439308354.db2.gz SBXHHDVGYYKRRE-GFCCVEGCSA-N 1 1 340.401 0.583 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000490875833 439308357 /nfs/dbraw/zinc/30/83/57/439308357.db2.gz SBXHHDVGYYKRRE-GFCCVEGCSA-N 1 1 340.401 0.583 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000491265880 439359104 /nfs/dbraw/zinc/35/91/04/439359104.db2.gz NBXUDQVNNJZILF-UHFFFAOYSA-N 1 1 337.445 0.903 20 30 ECEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cccc(C#N)n3)C2)C1 ZINC000569808941 439364874 /nfs/dbraw/zinc/36/48/74/439364874.db2.gz XVZOIUCUFTWQOT-KRWDZBQOSA-N 1 1 327.388 0.836 20 30 ECEDMO CC(=O)N[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528526869 439345437 /nfs/dbraw/zinc/34/54/37/439345437.db2.gz KTTACBOHRMMTCW-AWEZNQCLSA-N 1 1 325.368 0.496 20 30 ECEDMO CC(=O)N[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528526869 439345441 /nfs/dbraw/zinc/34/54/41/439345441.db2.gz KTTACBOHRMMTCW-AWEZNQCLSA-N 1 1 325.368 0.496 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000491202298 439347591 /nfs/dbraw/zinc/34/75/91/439347591.db2.gz NKGNUUCVBHIHLZ-IRXDYDNUSA-N 1 1 348.491 0.248 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)ncc1C#N ZINC000582674607 439368248 /nfs/dbraw/zinc/36/82/48/439368248.db2.gz MGPAMPZGEWWAST-CQSZACIVSA-N 1 1 345.403 0.163 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@H](C)CS(=O)(=O)CC ZINC000491374447 439374412 /nfs/dbraw/zinc/37/44/12/439374412.db2.gz RNBOSZQFNVUMJZ-CQSZACIVSA-N 1 1 331.482 0.796 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N(CC)[C@H](C)CS(=O)(=O)CC ZINC000491374447 439374415 /nfs/dbraw/zinc/37/44/15/439374415.db2.gz RNBOSZQFNVUMJZ-CQSZACIVSA-N 1 1 331.482 0.796 20 30 ECEDMO C[N@@H+]1CCN(C(=O)NCC(=O)NCC#N)[C@@H](Cc2ccccc2)C1 ZINC000593410489 439379490 /nfs/dbraw/zinc/37/94/90/439379490.db2.gz RTWYLNVPELCMEC-HNNXBMFYSA-N 1 1 329.404 0.194 20 30 ECEDMO C[N@H+]1CCN(C(=O)NCC(=O)NCC#N)[C@@H](Cc2ccccc2)C1 ZINC000593410489 439379494 /nfs/dbraw/zinc/37/94/94/439379494.db2.gz RTWYLNVPELCMEC-HNNXBMFYSA-N 1 1 329.404 0.194 20 30 ECEDMO C#C[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000491438220 439384845 /nfs/dbraw/zinc/38/48/45/439384845.db2.gz AQQDSAXCIKJHDF-OAGGEKHMSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000491640634 439416674 /nfs/dbraw/zinc/41/66/74/439416674.db2.gz YWQLTUYUFOKDEL-UHFFFAOYSA-N 1 1 329.404 0.666 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000491645609 439418738 /nfs/dbraw/zinc/41/87/38/439418738.db2.gz PHSRIMCNBKPLOX-SFHVURJKSA-N 1 1 329.444 0.299 20 30 ECEDMO C#CCN1C(=O)C[C@@H](N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000491719401 439434780 /nfs/dbraw/zinc/43/47/80/439434780.db2.gz ZTVGPSBSZWVQCF-DOTOQJQBSA-N 1 1 325.412 0.953 20 30 ECEDMO C#CCN1C(=O)C[C@@H](N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000491719401 439434783 /nfs/dbraw/zinc/43/47/83/439434783.db2.gz ZTVGPSBSZWVQCF-DOTOQJQBSA-N 1 1 325.412 0.953 20 30 ECEDMO C#CCN1C(=O)C[C@H](N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000491719403 439435587 /nfs/dbraw/zinc/43/55/87/439435587.db2.gz ZTVGPSBSZWVQCF-RDJZCZTQSA-N 1 1 325.412 0.953 20 30 ECEDMO C#CCN1C(=O)C[C@H](N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000491719403 439435592 /nfs/dbraw/zinc/43/55/92/439435592.db2.gz ZTVGPSBSZWVQCF-RDJZCZTQSA-N 1 1 325.412 0.953 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)CC1 ZINC000491724407 439435861 /nfs/dbraw/zinc/43/58/61/439435861.db2.gz BIDZEXJHBQQCBM-QGZVFWFLSA-N 1 1 342.443 0.312 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000491746467 439440281 /nfs/dbraw/zinc/44/02/81/439440281.db2.gz LNFLPPMCPRSABY-QGZVFWFLSA-N 1 1 332.492 0.570 20 30 ECEDMO C#C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000491743604 439440587 /nfs/dbraw/zinc/44/05/87/439440587.db2.gz MMOBAVARWPWUSR-INIZCTEOSA-N 1 1 346.406 0.963 20 30 ECEDMO COCCOCC[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000593695298 439446154 /nfs/dbraw/zinc/44/61/54/439446154.db2.gz JWKPLDWAACOTBL-UHFFFAOYSA-N 1 1 343.431 0.987 20 30 ECEDMO C#CCN1C(=O)C[C@H]([N@H+]2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)C1=O ZINC000491773265 439446595 /nfs/dbraw/zinc/44/65/95/439446595.db2.gz VKJUPBHGSZNMCI-KKUMJFAQSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000491792389 439451264 /nfs/dbraw/zinc/45/12/64/439451264.db2.gz FPKUHMVGVKJYEQ-CYBMUJFWSA-N 1 1 330.450 0.040 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000491792389 439451272 /nfs/dbraw/zinc/45/12/72/439451272.db2.gz FPKUHMVGVKJYEQ-CYBMUJFWSA-N 1 1 330.450 0.040 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000491803253 439454212 /nfs/dbraw/zinc/45/42/12/439454212.db2.gz IVAXARCYXFIZPM-OAHLLOKOSA-N 1 1 349.456 0.764 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599433313 439467144 /nfs/dbraw/zinc/46/71/44/439467144.db2.gz QMLKLKIYTBKBJY-LSDHHAIUSA-N 1 1 344.477 0.957 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599433313 439467147 /nfs/dbraw/zinc/46/71/47/439467147.db2.gz QMLKLKIYTBKBJY-LSDHHAIUSA-N 1 1 344.477 0.957 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000530340171 439498290 /nfs/dbraw/zinc/49/82/90/439498290.db2.gz MIBBNZOKBOREOZ-IUODEOHRSA-N 1 1 348.447 0.289 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000599570431 439508833 /nfs/dbraw/zinc/50/88/33/439508833.db2.gz XMSOWNJTQPPDTD-WQVCFCJDSA-N 1 1 325.409 0.693 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000599570431 439508837 /nfs/dbraw/zinc/50/88/37/439508837.db2.gz XMSOWNJTQPPDTD-WQVCFCJDSA-N 1 1 325.409 0.693 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)n(CCC#N)n1 ZINC000532566917 439518025 /nfs/dbraw/zinc/51/80/25/439518025.db2.gz XTHUSNQLPUZYJW-BXUZGUMPSA-N 1 1 344.419 0.643 20 30 ECEDMO CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609423394 439569125 /nfs/dbraw/zinc/56/91/25/439569125.db2.gz DSRNDJBLNYCPNC-WBVHZDCISA-N 1 1 331.416 0.949 20 30 ECEDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609423394 439569130 /nfs/dbraw/zinc/56/91/30/439569130.db2.gz DSRNDJBLNYCPNC-WBVHZDCISA-N 1 1 331.416 0.949 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000609680729 439585641 /nfs/dbraw/zinc/58/56/41/439585641.db2.gz BAINWGWCHNGJHR-AEFFLSMTSA-N 1 1 334.416 0.966 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419027 439587671 /nfs/dbraw/zinc/58/76/71/439587671.db2.gz SMAVYCYEFSNUSZ-JKSUJKDBSA-N 1 1 334.420 0.345 20 30 ECEDMO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419027 439587674 /nfs/dbraw/zinc/58/76/74/439587674.db2.gz SMAVYCYEFSNUSZ-JKSUJKDBSA-N 1 1 334.420 0.345 20 30 ECEDMO COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419027 439587678 /nfs/dbraw/zinc/58/76/78/439587678.db2.gz SMAVYCYEFSNUSZ-JKSUJKDBSA-N 1 1 334.420 0.345 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000594793947 439613336 /nfs/dbraw/zinc/61/33/36/439613336.db2.gz WWOIMVGASOBUKO-STQMWFEESA-N 1 1 330.454 0.166 20 30 ECEDMO N#Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cnc1C(F)(F)F ZINC000600536584 439674414 /nfs/dbraw/zinc/67/44/14/439674414.db2.gz YXSUQSGGFHAKMR-LLVKDONJSA-N 1 1 328.294 0.768 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000600739145 439697129 /nfs/dbraw/zinc/69/71/29/439697129.db2.gz PZBWSSPJPLMLSW-SJORKVTESA-N 1 1 333.432 0.734 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000613311132 439754877 /nfs/dbraw/zinc/75/48/77/439754877.db2.gz XYCRMIZVUIHVTC-IAQYHMDHSA-N 1 1 346.387 0.341 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000613311132 439754878 /nfs/dbraw/zinc/75/48/78/439754878.db2.gz XYCRMIZVUIHVTC-IAQYHMDHSA-N 1 1 346.387 0.341 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000612564419 439729041 /nfs/dbraw/zinc/72/90/41/439729041.db2.gz OFRBKRJNJLDMLR-HZPDHXFCSA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000617413276 439878093 /nfs/dbraw/zinc/87/80/93/439878093.db2.gz HDMGRCXXLRPTLY-AWEZNQCLSA-N 1 1 337.445 0.975 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000636554758 439929198 /nfs/dbraw/zinc/92/91/98/439929198.db2.gz YZFNKWRZIRCPMK-UHFFFAOYSA-N 1 1 338.452 0.032 20 30 ECEDMO C=CCCCS(=O)(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641698694 439904400 /nfs/dbraw/zinc/90/44/00/439904400.db2.gz ZUSOGGNQFSYXMP-INIZCTEOSA-N 1 1 345.509 0.669 20 30 ECEDMO C=CCCCS(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641698694 439904408 /nfs/dbraw/zinc/90/44/08/439904408.db2.gz ZUSOGGNQFSYXMP-INIZCTEOSA-N 1 1 345.509 0.669 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000631909223 439970367 /nfs/dbraw/zinc/97/03/67/439970367.db2.gz XHVREGSJDLGMSQ-AWEZNQCLSA-N 1 1 327.450 0.320 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)CC1 ZINC000664019918 440217439 /nfs/dbraw/zinc/21/74/39/440217439.db2.gz OEFOMNWPFIVFSV-JSGCOSHPSA-N 1 1 329.466 0.902 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC000660598500 440688057 /nfs/dbraw/zinc/68/80/57/440688057.db2.gz ZRWMNPQGRTZROY-KGLIPLIRSA-N 1 1 345.465 0.138 20 30 ECEDMO C=CCNC(=O)CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666945865 440713671 /nfs/dbraw/zinc/71/36/71/440713671.db2.gz JFYBGMZDFYZPMY-ZIAGYGMSSA-N 1 1 336.436 0.231 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)nn1 ZINC000645037297 440733371 /nfs/dbraw/zinc/73/33/71/440733371.db2.gz SDWJQZSHQFREDU-INIZCTEOSA-N 1 1 347.467 0.386 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@]3(C)CO)CC2)o1 ZINC000544759798 322105719 /nfs/dbraw/zinc/10/57/19/322105719.db2.gz BVKZDWLBJSIDIL-KRWDZBQOSA-N 1 1 347.419 0.350 20 30 ECEDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000548369076 322156427 /nfs/dbraw/zinc/15/64/27/322156427.db2.gz CZVDOIVNABDIQL-LBPRGKRZSA-N 1 1 327.381 0.696 20 30 ECEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000548369076 322156428 /nfs/dbraw/zinc/15/64/28/322156428.db2.gz CZVDOIVNABDIQL-LBPRGKRZSA-N 1 1 327.381 0.696 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC001041762351 782150450 /nfs/dbraw/zinc/15/04/50/782150450.db2.gz HZQFYOATRKTJHS-GOSISDBHSA-N 1 1 328.416 0.581 20 30 ECEDMO CC1(C)C[N@H+](CCNC(=O)CCN2CCCS2(=O)=O)CCO1 ZINC000328660896 546002899 /nfs/dbraw/zinc/00/28/99/546002899.db2.gz WDSTWBVIAACTAU-UHFFFAOYSA-N 1 1 333.454 0.479 20 30 ECEDMO CC1(C)C[N@@H+](CCNC(=O)CCN2CCCS2(=O)=O)CCO1 ZINC000328660896 546002901 /nfs/dbraw/zinc/00/29/01/546002901.db2.gz WDSTWBVIAACTAU-UHFFFAOYSA-N 1 1 333.454 0.479 20 30 ECEDMO Cn1ncc2c1ncn(CC(=O)NCC[NH+]1CCSCC1)c2=O ZINC000329426853 546023839 /nfs/dbraw/zinc/02/38/39/546023839.db2.gz JBFWBGZUEQDKCX-UHFFFAOYSA-N 1 1 336.421 0.135 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)nc1 ZINC000329484067 546025252 /nfs/dbraw/zinc/02/52/52/546025252.db2.gz QHKKMGCRRBDSKA-INIZCTEOSA-N 1 1 346.479 0.931 20 30 ECEDMO C=C(CNC(=O)[C@H]1CCCCN1C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000620747680 546450406 /nfs/dbraw/zinc/45/04/06/546450406.db2.gz FIFULRWLGFMDMJ-IYBDPMFKSA-N 1 1 336.480 0.744 20 30 ECEDMO C=C(CNC(=O)[C@H]1CCCCN1C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000620747680 546450409 /nfs/dbraw/zinc/45/04/09/546450409.db2.gz FIFULRWLGFMDMJ-IYBDPMFKSA-N 1 1 336.480 0.744 20 30 ECEDMO C=C(CNC(=O)[C@H]1CCCC[N@@H+]1C)CNC(=O)[C@@H]1CCCCN1C ZINC000620747680 546450414 /nfs/dbraw/zinc/45/04/14/546450414.db2.gz FIFULRWLGFMDMJ-IYBDPMFKSA-N 1 1 336.480 0.744 20 30 ECEDMO C=C(CNC(=O)[C@H]1CCCC[N@H+]1C)CNC(=O)[C@@H]1CCCCN1C ZINC000620747680 546450419 /nfs/dbraw/zinc/45/04/19/546450419.db2.gz FIFULRWLGFMDMJ-IYBDPMFKSA-N 1 1 336.480 0.744 20 30 ECEDMO C[C@@H](O)C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H](C)CO ZINC000625358205 547077793 /nfs/dbraw/zinc/07/77/93/547077793.db2.gz IFXRGTLNGMWSJA-UONOGXRCSA-N 1 1 330.384 0.350 20 30 ECEDMO C[C@H]1OCC[C@@H]1[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCO ZINC000625386348 547086481 /nfs/dbraw/zinc/08/64/81/547086481.db2.gz BBGLUJXGQFPFOL-PBHICJAKSA-N 1 1 342.395 0.758 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC001041772887 782172245 /nfs/dbraw/zinc/17/22/45/782172245.db2.gz SGEGNULJXJFYJS-GOSISDBHSA-N 1 1 348.447 0.817 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)nc1 ZINC000751356327 579366491 /nfs/dbraw/zinc/36/64/91/579366491.db2.gz NJOMSCIOXYBGMC-UHFFFAOYSA-N 1 1 329.404 0.324 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(S(=O)(=O)CC)CC1 ZINC000754665145 579422089 /nfs/dbraw/zinc/42/20/89/579422089.db2.gz VFDTVVFYYMTGOC-HNNXBMFYSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(S(=O)(=O)CC)CC1 ZINC000754665145 579422090 /nfs/dbraw/zinc/42/20/90/579422090.db2.gz VFDTVVFYYMTGOC-HNNXBMFYSA-N 1 1 341.477 0.262 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000757195726 579460077 /nfs/dbraw/zinc/46/00/77/579460077.db2.gz ODBUCVWNTVFCNY-YWMAMYRUSA-N 1 1 348.447 0.997 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000728570830 578289796 /nfs/dbraw/zinc/28/97/96/578289796.db2.gz NVTMGEROOQAITL-UHFFFAOYSA-N 1 1 340.427 0.694 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)c1cccc(O)c1 ZINC000730106561 578303480 /nfs/dbraw/zinc/30/34/80/578303480.db2.gz KLXUKXYGSPLPCX-INIZCTEOSA-N 1 1 329.400 0.726 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)c1cccc(O)c1 ZINC000730106561 578303481 /nfs/dbraw/zinc/30/34/81/578303481.db2.gz KLXUKXYGSPLPCX-INIZCTEOSA-N 1 1 329.400 0.726 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccncc2)CC1 ZINC000730105213 578303489 /nfs/dbraw/zinc/30/34/89/578303489.db2.gz CNPHXZUZJFNCIJ-KRWDZBQOSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccncc2)CC1 ZINC000730105213 578303490 /nfs/dbraw/zinc/30/34/90/578303490.db2.gz CNPHXZUZJFNCIJ-KRWDZBQOSA-N 1 1 340.427 0.900 20 30 ECEDMO CCC[N@H+]1CC[C@@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000732425994 578325290 /nfs/dbraw/zinc/32/52/90/578325290.db2.gz IMCBHLAYPKALMV-PVEMMZBWSA-N 1 1 349.435 0.544 20 30 ECEDMO CCOCC[NH+]1CCN(C(=O)NCCNc2ncccc2C#N)CC1 ZINC000732453148 578325591 /nfs/dbraw/zinc/32/55/91/578325591.db2.gz AZMAXZXXQNHJQZ-UHFFFAOYSA-N 1 1 346.435 0.729 20 30 ECEDMO CC[N@H+]1CCC[C@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000732465404 578325982 /nfs/dbraw/zinc/32/59/82/578325982.db2.gz MVIPLOZPDQTALG-JFVSRZABSA-N 1 1 349.435 0.544 20 30 ECEDMO C[C@@H](CNC(=O)NCCNC(=O)C1N=CC=CC1=O)[N@@H+](C)C1CC1 ZINC000732465351 578325996 /nfs/dbraw/zinc/32/59/96/578325996.db2.gz MLBIWHONHTUMJG-AKCBPTIMSA-N 1 1 335.408 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000735480603 578385819 /nfs/dbraw/zinc/38/58/19/578385819.db2.gz NPJZYSHPKKJVTR-KRWDZBQOSA-N 1 1 340.427 0.532 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000735480603 578385820 /nfs/dbraw/zinc/38/58/20/578385820.db2.gz NPJZYSHPKKJVTR-KRWDZBQOSA-N 1 1 340.427 0.532 20 30 ECEDMO CN1CCN(c2ccc(C[NH2+]CCn3cnc(C#N)n3)cc2)CC1 ZINC000796497415 578625564 /nfs/dbraw/zinc/62/55/64/578625564.db2.gz JQDURUPAGVQTID-UHFFFAOYSA-N 1 1 325.420 0.691 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000798365570 578644754 /nfs/dbraw/zinc/64/47/54/578644754.db2.gz VNFGUCSYZDENSX-GOSISDBHSA-N 1 1 344.459 0.882 20 30 ECEDMO CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNCCC[NH+]1CCOCC1 ZINC000799488664 578666097 /nfs/dbraw/zinc/66/60/97/578666097.db2.gz UIGDVZYATWOBNK-UHFFFAOYSA-N 1 1 345.447 0.745 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)C1 ZINC000780657956 578698749 /nfs/dbraw/zinc/69/87/49/578698749.db2.gz FXWUNYZSAZRRIP-KRWDZBQOSA-N 1 1 342.447 0.875 20 30 ECEDMO C[NH+](C)CCN1CCC(CNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780939480 578703243 /nfs/dbraw/zinc/70/32/43/578703243.db2.gz JNSJOUBHWZBSQC-SFHVURJKSA-N 1 1 344.459 0.981 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780982961 578704099 /nfs/dbraw/zinc/70/40/99/578704099.db2.gz IHGKDUHCEHAHFJ-OAHLLOKOSA-N 1 1 325.372 0.674 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)CC[NH+]2CCOCC2)n1 ZINC000790104951 578868205 /nfs/dbraw/zinc/86/82/05/578868205.db2.gz YUVLFUUNMUNCFA-UHFFFAOYSA-N 1 1 334.420 0.214 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(C3CC3)CC2)c1=O ZINC000793610254 578931932 /nfs/dbraw/zinc/93/19/32/578931932.db2.gz FNBNKSYDPJJTPI-UHFFFAOYSA-N 1 1 346.431 0.623 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+]C(C)(C)C(=O)Nc2ccccc2)CC1 ZINC000766924813 579097225 /nfs/dbraw/zinc/09/72/25/579097225.db2.gz OIMRBDWJRSXUEU-UHFFFAOYSA-N 1 1 342.443 0.771 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000770300265 579164171 /nfs/dbraw/zinc/16/41/71/579164171.db2.gz TVUFVFSTHDQYMQ-IUODEOHRSA-N 1 1 346.387 0.363 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000770300265 579164172 /nfs/dbraw/zinc/16/41/72/579164172.db2.gz TVUFVFSTHDQYMQ-IUODEOHRSA-N 1 1 346.387 0.363 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000771214109 579186685 /nfs/dbraw/zinc/18/66/85/579186685.db2.gz BSYXNMYLCPMNBQ-STQMWFEESA-N 1 1 346.362 0.615 20 30 ECEDMO C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CCCO1 ZINC000773311789 579224558 /nfs/dbraw/zinc/22/45/58/579224558.db2.gz OFNVVOUSWGEQGZ-HYVNUMGLSA-N 1 1 334.464 0.635 20 30 ECEDMO C#C[C@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000773311789 579224560 /nfs/dbraw/zinc/22/45/60/579224560.db2.gz OFNVVOUSWGEQGZ-HYVNUMGLSA-N 1 1 334.464 0.635 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000773526950 579228658 /nfs/dbraw/zinc/22/86/58/579228658.db2.gz AJWJDNJCJMSGLN-OAHLLOKOSA-N 1 1 327.384 0.273 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NC1CCN(C(=O)OCC)CC1)[C@H]1CCCO1 ZINC000775788987 579271256 /nfs/dbraw/zinc/27/12/56/579271256.db2.gz ADWLHELKWGRDJX-LSDHHAIUSA-N 1 1 337.420 0.494 20 30 ECEDMO C#C[C@H](NCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000775793654 579271376 /nfs/dbraw/zinc/27/13/76/579271376.db2.gz WPERHFJCZOEDAS-IXDOHACOSA-N 1 1 337.464 0.230 20 30 ECEDMO C#C[C@@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000776232976 579278411 /nfs/dbraw/zinc/27/84/11/579278411.db2.gz UUOCCRAZKSPHTD-IAGOWNOFSA-N 1 1 336.480 0.835 20 30 ECEDMO N#Cc1ccc([C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)C(N)=O)cc1 ZINC000776741548 579288799 /nfs/dbraw/zinc/28/87/99/579288799.db2.gz VKJBBJHWNXJZGL-HUUCEWRRSA-N 1 1 331.372 0.596 20 30 ECEDMO CC(=NN1CC[NH+](C)CC1)c1c(C)nn(CCS(C)(=O)=O)c1C ZINC000763107477 579555554 /nfs/dbraw/zinc/55/55/54/579555554.db2.gz ZFFXDLCIOFFLJX-UHFFFAOYSA-N 1 1 341.481 0.516 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000764471301 579576856 /nfs/dbraw/zinc/57/68/56/579576856.db2.gz LGIVHPQJZFCUGA-AWEZNQCLSA-N 1 1 347.481 0.387 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000764471301 579576857 /nfs/dbraw/zinc/57/68/57/579576857.db2.gz LGIVHPQJZFCUGA-AWEZNQCLSA-N 1 1 347.481 0.387 20 30 ECEDMO N#Cc1cnn2cc(C[N@@H+]3C[C@@H](O)CC4(CCOCC4)C3)cnc12 ZINC000895721626 586200768 /nfs/dbraw/zinc/20/07/68/586200768.db2.gz DOMIACYFPKBGOP-HNNXBMFYSA-N 1 1 327.388 0.964 20 30 ECEDMO CC[NH+]1CCN(CCCCNC(=O)N2CCO[C@](C)(C#N)C2)CC1 ZINC000891903045 586204608 /nfs/dbraw/zinc/20/46/08/586204608.db2.gz DKCFKVRMXZRRSR-QGZVFWFLSA-N 1 1 337.468 0.728 20 30 ECEDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000866872077 586219751 /nfs/dbraw/zinc/21/97/51/586219751.db2.gz GMFRHVCBUNEHGN-UHFFFAOYSA-N 1 1 329.397 0.944 20 30 ECEDMO CN(C(=O)NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000892943773 586302684 /nfs/dbraw/zinc/30/26/84/586302684.db2.gz ZZIYIQSMPUSNBH-DKASORFFSA-N 1 1 335.408 0.248 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000897441325 586323094 /nfs/dbraw/zinc/32/30/94/586323094.db2.gz CMXOYQPOPAPRJC-ZIAGYGMSSA-N 1 1 327.450 0.160 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000897441325 586323097 /nfs/dbraw/zinc/32/30/97/586323097.db2.gz CMXOYQPOPAPRJC-ZIAGYGMSSA-N 1 1 327.450 0.160 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)CC1 ZINC000898121845 586400963 /nfs/dbraw/zinc/40/09/63/586400963.db2.gz WSQPBBGDENHMKD-UHFFFAOYSA-N 1 1 333.476 0.685 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)c2cc(O)cc(C#N)c2)C1 ZINC000898252451 586410440 /nfs/dbraw/zinc/41/04/40/586410440.db2.gz JPWRTQVTJHGNCX-UHFFFAOYSA-N 1 1 333.388 0.683 20 30 ECEDMO C=CCNC(=O)c1cccc(-c2noc(CN3CC[NH2+]CC3=O)n2)c1 ZINC000843185009 589053338 /nfs/dbraw/zinc/05/33/38/589053338.db2.gz RDVGRBHVVQZFGY-UHFFFAOYSA-N 1 1 341.371 0.584 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000899116431 586471396 /nfs/dbraw/zinc/47/13/96/586471396.db2.gz MMFOBXRBDGOZLK-GOSISDBHSA-N 1 1 341.455 0.962 20 30 ECEDMO C=CCN(C(=O)c1ccnn1CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000900310346 586537602 /nfs/dbraw/zinc/53/76/02/586537602.db2.gz ORJAKKXTMGOGQL-CYBMUJFWSA-N 1 1 340.449 0.260 20 30 ECEDMO C#CC[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000889222652 586768950 /nfs/dbraw/zinc/76/89/50/586768950.db2.gz WXKJBUQVFCJKIA-MRXNPFEDSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC2N=NC(=S)N2CC)C1 ZINC000889233408 586772546 /nfs/dbraw/zinc/77/25/46/586772546.db2.gz WASJNBGTCNQGMK-GFCCVEGCSA-N 1 1 336.465 0.526 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC2N=NC(=S)N2CC)C1 ZINC000889233408 586772548 /nfs/dbraw/zinc/77/25/48/586772548.db2.gz WASJNBGTCNQGMK-GFCCVEGCSA-N 1 1 336.465 0.526 20 30 ECEDMO COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000903576888 586793717 /nfs/dbraw/zinc/79/37/17/586793717.db2.gz XQVYZUFCDYXONG-MRXNPFEDSA-N 1 1 337.445 0.893 20 30 ECEDMO N#Cc1ccccc1N1CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905927477 586923150 /nfs/dbraw/zinc/92/31/50/586923150.db2.gz PHAPMYJHABWXEZ-AEFFLSMTSA-N 1 1 331.416 0.583 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@H]2CCCC[N@@H+]2C)c1=O ZINC000906500029 586951481 /nfs/dbraw/zinc/95/14/81/586951481.db2.gz JMZOEGCTUMIIKQ-CQSZACIVSA-N 1 1 334.420 0.418 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000843788637 589079679 /nfs/dbraw/zinc/07/96/79/589079679.db2.gz GNZQGGROTJGCEO-HNNXBMFYSA-N 1 1 345.447 0.290 20 30 ECEDMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801948632 587006539 /nfs/dbraw/zinc/00/65/39/587006539.db2.gz CRIKEJLCRBTHMT-UONOGXRCSA-N 1 1 333.454 0.287 20 30 ECEDMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCO[C@@H](C)C#N)C1 ZINC000801948632 587006542 /nfs/dbraw/zinc/00/65/42/587006542.db2.gz CRIKEJLCRBTHMT-UONOGXRCSA-N 1 1 333.454 0.287 20 30 ECEDMO C=CCN1CCN(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000840001720 587060462 /nfs/dbraw/zinc/06/04/62/587060462.db2.gz ADLBNWNKHFXSAZ-KRWDZBQOSA-N 1 1 335.496 0.969 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1C#N ZINC000804430373 587085190 /nfs/dbraw/zinc/08/51/90/587085190.db2.gz NPMFRBWPMLRHIC-GFCCVEGCSA-N 1 1 344.415 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000804558480 587087881 /nfs/dbraw/zinc/08/78/81/587087881.db2.gz ZECXBXAMEZHQED-IGCXYCKISA-N 1 1 332.404 0.063 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000804558480 587087883 /nfs/dbraw/zinc/08/78/83/587087883.db2.gz ZECXBXAMEZHQED-IGCXYCKISA-N 1 1 332.404 0.063 20 30 ECEDMO C#CCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000806224525 587091491 /nfs/dbraw/zinc/09/14/91/587091491.db2.gz KPLUIVCSDZKVKM-HZPDHXFCSA-N 1 1 337.464 0.769 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCNc2ncccc2C#N)[C@H](C)C1 ZINC000806535041 587100310 /nfs/dbraw/zinc/10/03/10/587100310.db2.gz KWLCAPJYNZRVMJ-ZIAGYGMSSA-N 1 1 346.435 0.462 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[C@H]1CCCO1 ZINC000809305453 587173524 /nfs/dbraw/zinc/17/35/24/587173524.db2.gz DGXNHDYDTKQZBP-LTIDMASMSA-N 1 1 347.459 0.757 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000809504670 587178978 /nfs/dbraw/zinc/17/89/78/587178978.db2.gz PROSFFRLJVSHCC-OAHLLOKOSA-N 1 1 344.415 0.784 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000811184079 587214166 /nfs/dbraw/zinc/21/41/66/587214166.db2.gz GUYHELXBZLKXHV-GFCCVEGCSA-N 1 1 331.372 0.973 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+](C)C1 ZINC000840310114 587268369 /nfs/dbraw/zinc/26/83/69/587268369.db2.gz IOONZYSJXMEXCZ-CQSZACIVSA-N 1 1 348.378 0.944 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000815860864 587300533 /nfs/dbraw/zinc/30/05/33/587300533.db2.gz DWPZASSMOPBVHY-HNNXBMFYSA-N 1 1 347.419 0.072 20 30 ECEDMO C[N@@H+](C[C@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1CC1 ZINC000819230600 587473048 /nfs/dbraw/zinc/47/30/48/587473048.db2.gz XBUSHQVLZYXTJI-NWANDNLSSA-N 1 1 338.452 0.790 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)n1cnc(C#N)n1 ZINC000820092369 587508574 /nfs/dbraw/zinc/50/85/74/587508574.db2.gz FEXYXYHABRBNMD-UTXMOHQDSA-N 1 1 336.399 0.957 20 30 ECEDMO C#C[C@H](CCC)NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000820635181 587546462 /nfs/dbraw/zinc/54/64/62/587546462.db2.gz JEEYHCUVVMZALM-MRXNPFEDSA-N 1 1 334.464 0.984 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C#N)c(OC)c2)CC1 ZINC000821737515 587627700 /nfs/dbraw/zinc/62/77/00/587627700.db2.gz LWWMRUCDDUICJV-UHFFFAOYSA-N 1 1 330.388 0.507 20 30 ECEDMO CON=C(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1csc(N)n1 ZINC000823532902 587727188 /nfs/dbraw/zinc/72/71/88/587727188.db2.gz KJVCPXVMAGWNHO-JTQLQIEISA-N 1 1 325.438 0.924 20 30 ECEDMO N#CCCN1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000826382212 588036883 /nfs/dbraw/zinc/03/68/83/588036883.db2.gz TYCHTOKYMCZWFW-UHFFFAOYSA-N 1 1 327.392 0.777 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000826642579 588075045 /nfs/dbraw/zinc/07/50/45/588075045.db2.gz RLGRXFKBHKMESA-AWEZNQCLSA-N 1 1 335.404 0.497 20 30 ECEDMO CC(C)C#CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000826662696 588076209 /nfs/dbraw/zinc/07/62/09/588076209.db2.gz MSPZSAXWBZRBMG-UHFFFAOYSA-N 1 1 348.491 0.343 20 30 ECEDMO C#CC[C@@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000829798643 588342401 /nfs/dbraw/zinc/34/24/01/588342401.db2.gz BOCNPDWHOOCMRA-CQSZACIVSA-N 1 1 343.431 0.559 20 30 ECEDMO C#CC[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000829793909 588342426 /nfs/dbraw/zinc/34/24/26/588342426.db2.gz NLEBVOUTYVBGFK-GFCCVEGCSA-N 1 1 348.403 0.096 20 30 ECEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000829793909 588342427 /nfs/dbraw/zinc/34/24/27/588342427.db2.gz NLEBVOUTYVBGFK-GFCCVEGCSA-N 1 1 348.403 0.096 20 30 ECEDMO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829987769 588352313 /nfs/dbraw/zinc/35/23/13/588352313.db2.gz IDVKNRMZOXNDDM-GLNPCMGASA-N 1 1 339.417 0.317 20 30 ECEDMO COC(=O)[C@@H](NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1)C(C)C ZINC000844371663 589109487 /nfs/dbraw/zinc/10/94/87/589109487.db2.gz PXLOSIPMGKQOMT-WBVHZDCISA-N 1 1 347.415 0.837 20 30 ECEDMO COC(=O)[C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)C(C)C ZINC000844371663 589109488 /nfs/dbraw/zinc/10/94/88/589109488.db2.gz PXLOSIPMGKQOMT-WBVHZDCISA-N 1 1 347.415 0.837 20 30 ECEDMO CCO[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844407874 589110698 /nfs/dbraw/zinc/11/06/98/589110698.db2.gz BUEZHWYJZMYSGG-CHWSQXEVSA-N 1 1 340.424 0.488 20 30 ECEDMO CCO[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844407874 589110699 /nfs/dbraw/zinc/11/06/99/589110699.db2.gz BUEZHWYJZMYSGG-CHWSQXEVSA-N 1 1 340.424 0.488 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000845979580 589179465 /nfs/dbraw/zinc/17/94/65/589179465.db2.gz FNGFXXLXVRSPPE-UHFFFAOYSA-N 1 1 344.415 0.676 20 30 ECEDMO N#Cc1cccc(CN2CCC(NC(=O)N(CC[NH3+])CCO)CC2)c1 ZINC000846213282 589191726 /nfs/dbraw/zinc/19/17/26/589191726.db2.gz HZIMNTQMBNLBHF-UHFFFAOYSA-N 1 1 345.447 0.485 20 30 ECEDMO CC(C)C[N@@H+](C)CCCNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000846291948 589195403 /nfs/dbraw/zinc/19/54/03/589195403.db2.gz WEYLQUUJSUQHBT-MSUUIHNZSA-N 1 1 336.436 0.997 20 30 ECEDMO C[C@@H]1CCCN(C(=O)CCNC(O)=C2N=CC=CC2=O)[C@H]1CC[NH3+] ZINC000846696138 589219357 /nfs/dbraw/zinc/21/93/57/589219357.db2.gz XFEJNWAANNDNFU-MSPKJWORSA-N 1 1 334.420 0.879 20 30 ECEDMO CC(C)(C)OC(=O)N1CC[C@](O)(C[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000847009630 589232817 /nfs/dbraw/zinc/23/28/17/589232817.db2.gz KNTRYRNBLQVAJX-CVEARBPZSA-N 1 1 325.409 0.709 20 30 ECEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000847030727 589233373 /nfs/dbraw/zinc/23/33/73/589233373.db2.gz RRECPVFZTJGWMS-ZDUSSCGKSA-N 1 1 335.429 0.926 20 30 ECEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000847030727 589233375 /nfs/dbraw/zinc/23/33/75/589233375.db2.gz RRECPVFZTJGWMS-ZDUSSCGKSA-N 1 1 335.429 0.926 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000850359428 589364956 /nfs/dbraw/zinc/36/49/56/589364956.db2.gz HSSMIQXMQLRPMK-HZPDHXFCSA-N 1 1 337.445 0.938 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC000851873396 589430425 /nfs/dbraw/zinc/43/04/25/589430425.db2.gz XFZBSBWRIDWPAL-OAHLLOKOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#C[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000852308075 589490042 /nfs/dbraw/zinc/49/00/42/589490042.db2.gz UCKVBWOXNNIDFO-MRXNPFEDSA-N 1 1 336.480 0.740 20 30 ECEDMO C#CCOCCN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000853019928 589529453 /nfs/dbraw/zinc/52/94/53/589529453.db2.gz OAVNEXIRRZRSME-GOSISDBHSA-N 1 1 327.384 0.833 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cn(CCO)nc1C1CCOCC1 ZINC000856685514 589670484 /nfs/dbraw/zinc/67/04/84/589670484.db2.gz BAVXKWXAUYQERE-UHFFFAOYSA-N 1 1 348.447 0.454 20 30 ECEDMO C=CCn1c(Cc2noc([C@H](C)[NH2+]CC)n2)nnc1N1CCOCC1 ZINC000863668212 590029697 /nfs/dbraw/zinc/02/96/97/590029697.db2.gz RZPNLJVAMRDGKO-LBPRGKRZSA-N 1 1 347.423 0.945 20 30 ECEDMO CN(C(=O)[C@]1(C#N)CCCOC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000865728806 590155864 /nfs/dbraw/zinc/15/58/64/590155864.db2.gz YZADOQQPOXNQPT-AEFFLSMTSA-N 1 1 334.464 0.934 20 30 ECEDMO CN(C(=O)[C@]1(C#N)CCCOC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000865728806 590155865 /nfs/dbraw/zinc/15/58/65/590155865.db2.gz YZADOQQPOXNQPT-AEFFLSMTSA-N 1 1 334.464 0.934 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC[C@H]21 ZINC000874172319 590223778 /nfs/dbraw/zinc/22/37/78/590223778.db2.gz JJDLERXUKPOMSH-CHWSQXEVSA-N 1 1 330.392 0.288 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CCCO1 ZINC000875323038 590292832 /nfs/dbraw/zinc/29/28/32/590292832.db2.gz FLERQKNVNYVCLX-HRCADAONSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000875504039 590306215 /nfs/dbraw/zinc/30/62/15/590306215.db2.gz MZWPPXFGSAKXGU-ZBFHGGJFSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000875599240 590312761 /nfs/dbraw/zinc/31/27/61/590312761.db2.gz OXMJPLLKPXQLPD-ARFHVFGLSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000875604071 590314291 /nfs/dbraw/zinc/31/42/91/590314291.db2.gz INESSAVPOIREMQ-ZMSDIMECSA-N 1 1 347.459 0.616 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)CC[C@H]21 ZINC000879580081 590325153 /nfs/dbraw/zinc/32/51/53/590325153.db2.gz RDPQWQUQJLDRAC-HUUCEWRRSA-N 1 1 334.445 0.753 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000875919641 590346054 /nfs/dbraw/zinc/34/60/54/590346054.db2.gz MUOLABGNSNKKII-DLBZAZTESA-N 1 1 336.480 0.836 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000876851974 590419154 /nfs/dbraw/zinc/41/91/54/590419154.db2.gz QXUKZQURDLLQPM-WMZOPIPTSA-N 1 1 339.443 0.251 20 30 ECEDMO C[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCS(=O)(=O)C1 ZINC000876911116 590425991 /nfs/dbraw/zinc/42/59/91/590425991.db2.gz VIPXGPYEXRJJLM-LRDDRELGSA-N 1 1 347.440 0.638 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCO[C@@](COC)(C(=O)OC(C)(C)C)C1 ZINC000879359283 590582453 /nfs/dbraw/zinc/58/24/53/590582453.db2.gz RCMXUWWKBVSANU-KRWDZBQOSA-N 1 1 340.420 0.185 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCO[C@@](COC)(C(=O)OC(C)(C)C)C1 ZINC000879359283 590582454 /nfs/dbraw/zinc/58/24/54/590582454.db2.gz RCMXUWWKBVSANU-KRWDZBQOSA-N 1 1 340.420 0.185 20 30 ECEDMO C#C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000883623586 590633097 /nfs/dbraw/zinc/63/30/97/590633097.db2.gz ACRCHESSISITHR-DLBZAZTESA-N 1 1 336.480 0.740 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883911995 590682881 /nfs/dbraw/zinc/68/28/81/590682881.db2.gz DXXALMSSCLJZKR-HOTGVXAUSA-N 1 1 340.468 0.019 20 30 ECEDMO N#Cc1ccc(NCC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)nc1 ZINC000885874829 590775199 /nfs/dbraw/zinc/77/51/99/590775199.db2.gz BAUFTZOGVZCGAB-HNNXBMFYSA-N 1 1 329.404 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(NC(C)=O)nc2)C1 ZINC000884305942 590801114 /nfs/dbraw/zinc/80/11/14/590801114.db2.gz NOFMRJMBTZUSGO-HNNXBMFYSA-N 1 1 329.404 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(NC(C)=O)nc2)C1 ZINC000884305942 590801117 /nfs/dbraw/zinc/80/11/17/590801117.db2.gz NOFMRJMBTZUSGO-HNNXBMFYSA-N 1 1 329.404 0.937 20 30 ECEDMO N#C[C@]12CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@@H]1CS(=O)(=O)C2 ZINC000886211964 590816056 /nfs/dbraw/zinc/81/60/56/590816056.db2.gz DGHIALIKMOBGHZ-ORIJERBGSA-N 1 1 337.445 0.400 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCC3)C[C@H]21 ZINC000886281297 590823758 /nfs/dbraw/zinc/82/37/58/590823758.db2.gz WATQKLSOZARMOV-FQUUOJAGSA-N 1 1 328.434 0.175 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCC3)C[C@H]21 ZINC000886281297 590823761 /nfs/dbraw/zinc/82/37/61/590823761.db2.gz WATQKLSOZARMOV-FQUUOJAGSA-N 1 1 328.434 0.175 20 30 ECEDMO C#CCN(C(=O)Cc1cc(=O)n(CC(C)C)[nH]1)C1CC[NH+](C)CC1 ZINC000886571287 590859372 /nfs/dbraw/zinc/85/93/72/590859372.db2.gz QCPFIFAQLJZEIO-UHFFFAOYSA-N 1 1 332.448 0.931 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000887314609 590960453 /nfs/dbraw/zinc/96/04/53/590960453.db2.gz RPWLDQAMFGEFFO-WFASDCNBSA-N 1 1 335.429 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000887314609 590960455 /nfs/dbraw/zinc/96/04/55/590960455.db2.gz RPWLDQAMFGEFFO-WFASDCNBSA-N 1 1 335.429 0.609 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000890011629 591118635 /nfs/dbraw/zinc/11/86/35/591118635.db2.gz ZJACERSRWDEQGK-BXUZGUMPSA-N 1 1 327.388 0.685 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000890364720 591151852 /nfs/dbraw/zinc/15/18/52/591151852.db2.gz HDQSISHXQOXDJX-KRWDZBQOSA-N 1 1 337.512 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2COc3ccccc3[C@@H]2O)C1 ZINC000890365651 591152231 /nfs/dbraw/zinc/15/22/31/591152231.db2.gz XHORXZXSHJYWIY-QRTARXTBSA-N 1 1 329.400 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2COc3ccccc3[C@@H]2O)C1 ZINC000890365651 591152233 /nfs/dbraw/zinc/15/22/33/591152233.db2.gz XHORXZXSHJYWIY-QRTARXTBSA-N 1 1 329.400 0.878 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC000947998893 611375604 /nfs/dbraw/zinc/37/56/04/611375604.db2.gz QNZSVXCLZQVFNO-CHWSQXEVSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC3(CC2)C[C@@H](O)CCO3)C1 ZINC000924037863 611383178 /nfs/dbraw/zinc/38/31/78/611383178.db2.gz WBVRQDIWIYWUCD-CVEARBPZSA-N 1 1 335.448 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC3(CC2)C[C@@H](O)CCO3)C1 ZINC000924037863 611383182 /nfs/dbraw/zinc/38/31/82/611383182.db2.gz WBVRQDIWIYWUCD-CVEARBPZSA-N 1 1 335.448 0.800 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)CC[C@@H]2C1 ZINC000946664306 611400779 /nfs/dbraw/zinc/40/07/79/611400779.db2.gz PWPQRTDULOIPGQ-GASCZTMLSA-N 1 1 342.443 0.931 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCS3(=O)=O)CC[C@@H]2C1 ZINC000946696998 611419247 /nfs/dbraw/zinc/41/92/47/611419247.db2.gz KFBQWISCLNZCQP-OWCLPIDISA-N 1 1 338.473 0.757 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)NCCNc1ccc(C)c[nH+]1)[C@@H]1CCCO1 ZINC000930469534 611430947 /nfs/dbraw/zinc/43/09/47/611430947.db2.gz IFIHWYMYAQAFFP-KGLIPLIRSA-N 1 1 330.388 0.215 20 30 ECEDMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2CC1 ZINC000946747349 611449147 /nfs/dbraw/zinc/44/91/47/611449147.db2.gz ODAOCYFRHFPXTO-IYBDPMFKSA-N 1 1 343.402 0.833 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC000948207271 611467913 /nfs/dbraw/zinc/46/79/13/611467913.db2.gz MFLUNPDLEIGMEK-IAQYHMDHSA-N 1 1 340.387 0.668 20 30 ECEDMO C=CCC[C@@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1=O ZINC000925347749 611473267 /nfs/dbraw/zinc/47/32/67/611473267.db2.gz ZZINOFNJBBOCOK-IXXDHKBRSA-N 1 1 348.447 0.957 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC[N@H+]1C ZINC000925332744 611470830 /nfs/dbraw/zinc/47/08/30/611470830.db2.gz WXBFAMFDDBNSQP-MGPQQGTHSA-N 1 1 343.435 0.661 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC000947450197 611542489 /nfs/dbraw/zinc/54/24/89/611542489.db2.gz PUMHHOIMWDBNPT-UKRRQHHQSA-N 1 1 328.416 0.715 20 30 ECEDMO C[N@@H+]1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1(C)C ZINC000931599383 611552707 /nfs/dbraw/zinc/55/27/07/611552707.db2.gz QWVNRTARHAGSHX-UHFFFAOYSA-N 1 1 332.379 0.866 20 30 ECEDMO C[N@H+]1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1(C)C ZINC000931599383 611552710 /nfs/dbraw/zinc/55/27/10/611552710.db2.gz QWVNRTARHAGSHX-UHFFFAOYSA-N 1 1 332.379 0.866 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C[C@@H]1C ZINC000947478930 611553293 /nfs/dbraw/zinc/55/32/93/611553293.db2.gz IGDXBDPOQQLRAV-KBPBESRZSA-N 1 1 342.403 0.926 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC(N)=O)C[C@H]1C ZINC000947523901 611580043 /nfs/dbraw/zinc/58/00/43/611580043.db2.gz KPVXVAQZIZHMPH-KGLIPLIRSA-N 1 1 329.400 0.767 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC#Cc1ccccc1 ZINC000947625460 611624010 /nfs/dbraw/zinc/62/40/10/611624010.db2.gz XCSMZJXXSHUPFV-GOEBONIOSA-N 1 1 338.415 0.845 20 30 ECEDMO C#CC[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C(C)(C)C ZINC000932464896 611630438 /nfs/dbraw/zinc/63/04/38/611630438.db2.gz PLSSXWJERZNHEO-UHFFFAOYSA-N 1 1 349.456 0.957 20 30 ECEDMO C#CC[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C(C)(C)C ZINC000932464896 611630439 /nfs/dbraw/zinc/63/04/39/611630439.db2.gz PLSSXWJERZNHEO-UHFFFAOYSA-N 1 1 349.456 0.957 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1C#N ZINC000947035636 611639487 /nfs/dbraw/zinc/63/94/87/611639487.db2.gz DHLUGMJRHLZLLI-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937349743 608609343 /nfs/dbraw/zinc/60/93/43/608609343.db2.gz KPMYWLDSOPFBEB-IRXDYDNUSA-N 1 1 347.459 0.568 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937349743 608609347 /nfs/dbraw/zinc/60/93/47/608609347.db2.gz KPMYWLDSOPFBEB-IRXDYDNUSA-N 1 1 347.459 0.568 20 30 ECEDMO CN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937352098 608613996 /nfs/dbraw/zinc/61/39/96/608613996.db2.gz IWAQUILYAYOVMO-CQSZACIVSA-N 1 1 344.415 0.823 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000949292041 608614942 /nfs/dbraw/zinc/61/49/42/608614942.db2.gz BAGLHTPVUPWODJ-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)Cn1c(-c2ncon2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000909336621 608615331 /nfs/dbraw/zinc/61/53/31/608615331.db2.gz XRZSCVZGKZVPKB-CYBMUJFWSA-N 1 1 345.407 0.815 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000936849285 608620692 /nfs/dbraw/zinc/62/06/92/608620692.db2.gz APBVTDJJTJUYED-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000936849285 608620694 /nfs/dbraw/zinc/62/06/94/608620694.db2.gz APBVTDJJTJUYED-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949399291 608668842 /nfs/dbraw/zinc/66/88/42/608668842.db2.gz ZOYXOWZASRBXPJ-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3ccn4nnnc4c3)CC2)C1 ZINC000949433228 608677477 /nfs/dbraw/zinc/67/74/77/608677477.db2.gz JMUNTIYOSAOVFK-UHFFFAOYSA-N 1 1 342.403 0.617 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3ccn4nnnc4c3)CC2)C1 ZINC000949433228 608677479 /nfs/dbraw/zinc/67/74/79/608677479.db2.gz JMUNTIYOSAOVFK-UHFFFAOYSA-N 1 1 342.403 0.617 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H](CC#N)C(F)(F)F)CC1 ZINC000932927722 608685970 /nfs/dbraw/zinc/68/59/70/608685970.db2.gz USPXDOVMAPCPKL-JTQLQIEISA-N 1 1 335.330 0.294 20 30 ECEDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCC#CCO ZINC000923772786 608690713 /nfs/dbraw/zinc/69/07/13/608690713.db2.gz CDOCZLWUXVWXMC-GOEBONIOSA-N 1 1 333.436 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC3(CCNC(=O)O3)CC2)C1 ZINC000924035326 608725094 /nfs/dbraw/zinc/72/50/94/608725094.db2.gz JHUSMZMSSCDQDU-AWEZNQCLSA-N 1 1 334.420 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC3(CCNC(=O)O3)CC2)C1 ZINC000924035326 608725098 /nfs/dbraw/zinc/72/50/98/608725098.db2.gz JHUSMZMSSCDQDU-AWEZNQCLSA-N 1 1 334.420 0.758 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CS(=O)(=O)C2)CC1 ZINC000948563040 611656016 /nfs/dbraw/zinc/65/60/16/611656016.db2.gz ZFNHJMXDBZHTDB-HNNXBMFYSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](N(C)C(=O)CC2CS(=O)(=O)C2)CC1 ZINC000948563040 611656017 /nfs/dbraw/zinc/65/60/17/611656017.db2.gz ZFNHJMXDBZHTDB-HNNXBMFYSA-N 1 1 326.462 0.757 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000947037432 611657842 /nfs/dbraw/zinc/65/78/42/611657842.db2.gz YEJJXMDWAMHCDR-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H](C)C2)c1 ZINC000947711434 611663161 /nfs/dbraw/zinc/66/31/61/611663161.db2.gz WFSVDILTHQIMGW-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@]2(C)CCOC2)CC1 ZINC000947229799 608794416 /nfs/dbraw/zinc/79/44/16/608794416.db2.gz HKYLFJQJQLTAHW-QFBILLFUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@]2(C)CCOC2)CC1 ZINC000947229799 608794418 /nfs/dbraw/zinc/79/44/18/608794418.db2.gz HKYLFJQJQLTAHW-QFBILLFUSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000948590941 611663272 /nfs/dbraw/zinc/66/32/72/611663272.db2.gz QFIWDEYPGVENEE-AWEZNQCLSA-N 1 1 332.404 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nocc1C ZINC000937501655 608834034 /nfs/dbraw/zinc/83/40/34/608834034.db2.gz ZJBMJLTWZSZTGK-KKUMJFAQSA-N 1 1 342.399 0.506 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nocc1C ZINC000937501655 608834035 /nfs/dbraw/zinc/83/40/35/608834035.db2.gz ZJBMJLTWZSZTGK-KKUMJFAQSA-N 1 1 342.399 0.506 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C[C@H]1C ZINC000947510173 608843803 /nfs/dbraw/zinc/84/38/03/608843803.db2.gz JDJNIGHSDWLKTN-HUUCEWRRSA-N 1 1 332.448 0.977 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C[C@H]1C ZINC000947510173 608843806 /nfs/dbraw/zinc/84/38/06/608843806.db2.gz JDJNIGHSDWLKTN-HUUCEWRRSA-N 1 1 332.448 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000936597415 608849363 /nfs/dbraw/zinc/84/93/63/608849363.db2.gz ZQDXPEAYGWXNBK-CVEARBPZSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000936597415 608849365 /nfs/dbraw/zinc/84/93/65/608849365.db2.gz ZQDXPEAYGWXNBK-CVEARBPZSA-N 1 1 343.431 0.191 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937054281 608936559 /nfs/dbraw/zinc/93/65/59/608936559.db2.gz MGFSPNXAIZIFOJ-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC#CCO ZINC000923765621 608940935 /nfs/dbraw/zinc/94/09/35/608940935.db2.gz VIWPCGURGGTRNH-SFHVURJKSA-N 1 1 331.416 0.261 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C[C@@H]1C ZINC000947309082 608945017 /nfs/dbraw/zinc/94/50/17/608945017.db2.gz CBVDWYKPGWOJPX-UONOGXRCSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C ZINC000947725190 608968699 /nfs/dbraw/zinc/96/86/99/608968699.db2.gz VHSWTRSOCJJOHC-BNOWGMLFSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C ZINC000947725190 608968701 /nfs/dbraw/zinc/96/87/01/608968701.db2.gz VHSWTRSOCJJOHC-BNOWGMLFSA-N 1 1 347.444 0.212 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CCn1cncn1 ZINC000947217931 608969448 /nfs/dbraw/zinc/96/94/48/608969448.db2.gz UCSBZJJMOADUMV-STQMWFEESA-N 1 1 327.392 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c(C)noc2C)C1 ZINC000937666701 609000643 /nfs/dbraw/zinc/00/06/43/609000643.db2.gz VPZVXCKCQJPBBH-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c(C)noc2C)C1 ZINC000937666701 609000644 /nfs/dbraw/zinc/00/06/44/609000644.db2.gz VPZVXCKCQJPBBH-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947666253 609028659 /nfs/dbraw/zinc/02/86/59/609028659.db2.gz CNJAGOPDPMKLTC-RISCZKNCSA-N 1 1 330.388 0.521 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H](C)C2)nn1 ZINC000947792037 611692462 /nfs/dbraw/zinc/69/24/62/611692462.db2.gz HZOAGVSFJDSKTR-GXTWGEPZSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H](C)C2)nn1 ZINC000947792037 611692465 /nfs/dbraw/zinc/69/24/65/611692465.db2.gz HZOAGVSFJDSKTR-GXTWGEPZSA-N 1 1 346.435 0.325 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2ccoc2)C1 ZINC000937863060 609353662 /nfs/dbraw/zinc/35/36/62/609353662.db2.gz AXJVNWUNTQYMNO-HOTGVXAUSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2ccoc2)C1 ZINC000937863060 609353664 /nfs/dbraw/zinc/35/36/64/609353664.db2.gz AXJVNWUNTQYMNO-HOTGVXAUSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC000937993535 609451009 /nfs/dbraw/zinc/45/10/09/609451009.db2.gz HJEWWCURLAGHIP-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC000937993535 609451010 /nfs/dbraw/zinc/45/10/10/609451010.db2.gz HJEWWCURLAGHIP-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000938170839 609482435 /nfs/dbraw/zinc/48/24/35/609482435.db2.gz PLPROLXPHPEUGM-IKGGRYGDSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000938170839 609482438 /nfs/dbraw/zinc/48/24/38/609482438.db2.gz PLPROLXPHPEUGM-IKGGRYGDSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC000938171063 609483187 /nfs/dbraw/zinc/48/31/87/609483187.db2.gz VCMXWIXKERDPMW-KBPBESRZSA-N 1 1 345.399 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC000938171063 609483188 /nfs/dbraw/zinc/48/31/88/609483188.db2.gz VCMXWIXKERDPMW-KBPBESRZSA-N 1 1 345.399 0.717 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000938171095 609483191 /nfs/dbraw/zinc/48/31/91/609483191.db2.gz WRQFDWALWPOVRL-PASDCYSWSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000938171095 609483192 /nfs/dbraw/zinc/48/31/92/609483192.db2.gz WRQFDWALWPOVRL-PASDCYSWSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000938171080 609483224 /nfs/dbraw/zinc/48/32/24/609483224.db2.gz WCRZCZIFRUWZBU-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000938171080 609483226 /nfs/dbraw/zinc/48/32/26/609483226.db2.gz WCRZCZIFRUWZBU-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000938172558 609485609 /nfs/dbraw/zinc/48/56/09/609485609.db2.gz XQKBNTJTTDMRPT-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000938172558 609485610 /nfs/dbraw/zinc/48/56/10/609485610.db2.gz XQKBNTJTTDMRPT-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)c1C#N ZINC000908285459 609649579 /nfs/dbraw/zinc/64/95/79/609649579.db2.gz QXLUWDDPLJDVBG-LRDDRELGSA-N 1 1 349.460 0.427 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000908348152 609651440 /nfs/dbraw/zinc/65/14/40/609651440.db2.gz UPGYCHPFVSEOOZ-CPUCHLNUSA-N 1 1 330.388 0.388 20 30 ECEDMO C=CCn1c(-c2ncon2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000908732921 609659631 /nfs/dbraw/zinc/65/96/31/609659631.db2.gz YOGGUZKRZHYNBD-ZDUSSCGKSA-N 1 1 345.407 0.673 20 30 ECEDMO CON=C(C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1)c1csc(N)n1 ZINC000913273362 609659814 /nfs/dbraw/zinc/65/98/14/609659814.db2.gz DVPHHQIHMIMYFS-GASCZTMLSA-N 1 1 337.449 0.876 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000919843289 609664402 /nfs/dbraw/zinc/66/44/02/609664402.db2.gz YNIUOYFAKDGXAK-KGLIPLIRSA-N 1 1 330.454 0.262 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccccc1CC#N)[C@H]1C[N@H+](C)CCN1C ZINC000919988681 609669196 /nfs/dbraw/zinc/66/91/96/609669196.db2.gz HIHYWUFRJAHYIB-UKRRQHHQSA-N 1 1 336.461 0.665 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccccc1CC#N)[C@H]1C[N@@H+](C)CCN1C ZINC000919988681 609669198 /nfs/dbraw/zinc/66/91/98/609669198.db2.gz HIHYWUFRJAHYIB-UKRRQHHQSA-N 1 1 336.461 0.665 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1C[N@H+](C)CCN1C ZINC000919998987 609669528 /nfs/dbraw/zinc/66/95/28/609669528.db2.gz DKUVKZMCEZZXPH-RISCZKNCSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1C[N@@H+](C)CCN1C ZINC000919998987 609669530 /nfs/dbraw/zinc/66/95/30/609669530.db2.gz DKUVKZMCEZZXPH-RISCZKNCSA-N 1 1 340.424 0.610 20 30 ECEDMO Cc1cccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1C#N ZINC000919999587 609669653 /nfs/dbraw/zinc/66/96/53/609669653.db2.gz KLMKOIMWLNJNNP-UKRRQHHQSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1C#N ZINC000919999587 609669654 /nfs/dbraw/zinc/66/96/54/609669654.db2.gz KLMKOIMWLNJNNP-UKRRQHHQSA-N 1 1 336.461 0.779 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000909878927 609699383 /nfs/dbraw/zinc/69/93/83/609699383.db2.gz PFGXKGUNLFLINT-HOTGVXAUSA-N 1 1 338.448 0.965 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cnnn2-c2ccccc2)CC1 ZINC000921436758 609716348 /nfs/dbraw/zinc/71/63/48/609716348.db2.gz BTWFAZUZBRDUDQ-UHFFFAOYSA-N 1 1 345.428 0.643 20 30 ECEDMO CCCCCCC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000157372136 609723154 /nfs/dbraw/zinc/72/31/54/609723154.db2.gz KUKFGFWAUYUJDW-UHFFFAOYSA-N 1 1 325.453 0.960 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000947761689 609733605 /nfs/dbraw/zinc/73/36/05/609733605.db2.gz ONXHICZDYAPRDB-QWHCGFSZSA-N 1 1 334.420 0.243 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000938322423 609736020 /nfs/dbraw/zinc/73/60/20/609736020.db2.gz SMKHICZDLXLBOB-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2cccc(OC)c2)C1 ZINC000923594774 609754134 /nfs/dbraw/zinc/75/41/34/609754134.db2.gz MRKGVBWDCKQEPI-HNNXBMFYSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2cccc(OC)c2)C1 ZINC000923594774 609754135 /nfs/dbraw/zinc/75/41/35/609754135.db2.gz MRKGVBWDCKQEPI-HNNXBMFYSA-N 1 1 329.400 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000938373707 609759919 /nfs/dbraw/zinc/75/99/19/609759919.db2.gz QFBYHRYGOVZDQI-XOKHGSTOSA-N 1 1 340.427 0.734 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000938493330 609808403 /nfs/dbraw/zinc/80/84/03/609808403.db2.gz SGEHNJLVHLUXJF-HOTGVXAUSA-N 1 1 333.432 0.226 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000938493330 609808405 /nfs/dbraw/zinc/80/84/05/609808405.db2.gz SGEHNJLVHLUXJF-HOTGVXAUSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC000938543291 609851125 /nfs/dbraw/zinc/85/11/25/609851125.db2.gz IVEHZSIFEQJDBB-TXPKVOOTSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC000938543291 609851127 /nfs/dbraw/zinc/85/11/27/609851127.db2.gz IVEHZSIFEQJDBB-TXPKVOOTSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000914112422 609854332 /nfs/dbraw/zinc/85/43/32/609854332.db2.gz KORQWZDTAZWTTJ-SJORKVTESA-N 1 1 344.459 0.881 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000938540384 609858555 /nfs/dbraw/zinc/85/85/55/609858555.db2.gz VYHZMPFKQNRYDX-KGLIPLIRSA-N 1 1 346.435 0.089 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000938540456 609858766 /nfs/dbraw/zinc/85/87/66/609858766.db2.gz WYKPAWJIKBTYPT-WFASDCNBSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2oncc2C)C1 ZINC000938630877 609913097 /nfs/dbraw/zinc/91/30/97/609913097.db2.gz GTZAVKPXGKVDPE-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2oncc2C)C1 ZINC000938630877 609913098 /nfs/dbraw/zinc/91/30/98/609913098.db2.gz GTZAVKPXGKVDPE-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[NH2+]CC(=O)Nc1ccc([C@]2(CC)CCC(=O)NC2=O)cc1 ZINC000912238103 609939554 /nfs/dbraw/zinc/93/95/54/609939554.db2.gz UUGPJOIFIKHMAK-SFHVURJKSA-N 1 1 327.384 0.932 20 30 ECEDMO C[N@H+]1CC[C@@H]1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000916468530 609940009 /nfs/dbraw/zinc/94/00/09/609940009.db2.gz CBJMJIVYUYKJHR-OAHLLOKOSA-N 1 1 328.420 0.925 20 30 ECEDMO C[NH+]=C(NCCc1ccco1)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000154580319 609988801 /nfs/dbraw/zinc/98/88/01/609988801.db2.gz AEPZJNCIKOSJIX-INIZCTEOSA-N 1 1 347.463 0.636 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000938779976 609995506 /nfs/dbraw/zinc/99/55/06/609995506.db2.gz MJULJSZKOHPXNI-HOTGVXAUSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000938779976 609995509 /nfs/dbraw/zinc/99/55/09/609995509.db2.gz MJULJSZKOHPXNI-HOTGVXAUSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CCN1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000919404547 610043386 /nfs/dbraw/zinc/04/33/86/610043386.db2.gz ONHVANDZWWDXFL-MRXNPFEDSA-N 1 1 348.491 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000938968193 610058550 /nfs/dbraw/zinc/05/85/50/610058550.db2.gz BTLCWWJMUGSINQ-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000939009667 610067971 /nfs/dbraw/zinc/06/79/71/610067971.db2.gz CSTBJKAYTGDYBE-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000939009667 610067972 /nfs/dbraw/zinc/06/79/72/610067972.db2.gz CSTBJKAYTGDYBE-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000939264004 610139728 /nfs/dbraw/zinc/13/97/28/610139728.db2.gz QOEOIOMQOMKZRV-WBVHZDCISA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000939264004 610139729 /nfs/dbraw/zinc/13/97/29/610139729.db2.gz QOEOIOMQOMKZRV-WBVHZDCISA-N 1 1 343.427 0.979 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000939406176 610192595 /nfs/dbraw/zinc/19/25/95/610192595.db2.gz MAJRKCYXXMIQFM-ZIAGYGMSSA-N 1 1 343.431 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2ccco2)C1 ZINC000939413090 610194239 /nfs/dbraw/zinc/19/42/39/610194239.db2.gz YTEZNJXOYBRNAA-OIISXLGYSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2ccco2)C1 ZINC000939413090 610194240 /nfs/dbraw/zinc/19/42/40/610194240.db2.gz YTEZNJXOYBRNAA-OIISXLGYSA-N 1 1 343.427 0.883 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940100537 610213020 /nfs/dbraw/zinc/21/30/20/610213020.db2.gz GDCSGYOBCHGDQY-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cnn(CC)n3)C2)cn1 ZINC000939567059 610239804 /nfs/dbraw/zinc/23/98/04/610239804.db2.gz HEKUMQCFYDKBGS-DYVFJYSZSA-N 1 1 338.415 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ncoc2C)C1 ZINC000939630518 610254998 /nfs/dbraw/zinc/25/49/98/610254998.db2.gz RRRVZPDCCADNOC-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ncoc2C)C1 ZINC000939630518 610254999 /nfs/dbraw/zinc/25/49/99/610254999.db2.gz RRRVZPDCCADNOC-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CCCOC2)C1 ZINC000940577577 610303729 /nfs/dbraw/zinc/30/37/29/610303729.db2.gz JQFNBGGPSXXVHO-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CCCOC2)C1 ZINC000940577577 610303731 /nfs/dbraw/zinc/30/37/31/610303731.db2.gz JQFNBGGPSXXVHO-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cn3cc(C4CC4)nn3)CC2)C1 ZINC000941437048 610314785 /nfs/dbraw/zinc/31/47/85/610314785.db2.gz PQOILORJDHANQZ-UHFFFAOYSA-N 1 1 344.463 0.560 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3c(C)nnn3CC)CC2)C1 ZINC000941437378 610314996 /nfs/dbraw/zinc/31/49/96/610314996.db2.gz ZQRATCQODHWZMW-UHFFFAOYSA-N 1 1 332.452 0.625 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3cnn4ccccc34)CC2)C1 ZINC000941440223 610316422 /nfs/dbraw/zinc/31/64/22/610316422.db2.gz DRIYOBHQOAKEQK-UHFFFAOYSA-N 1 1 339.443 0.891 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3COC)CC2)C1 ZINC000941462478 610321072 /nfs/dbraw/zinc/32/10/72/610321072.db2.gz ASPBFCDFBIFQQI-UHFFFAOYSA-N 1 1 347.463 0.585 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940656534 610326521 /nfs/dbraw/zinc/32/65/21/610326521.db2.gz DCPBBHPYPKLGLC-KGLIPLIRSA-N 1 1 331.420 0.981 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4nnc(C)n4c3)CC2)C1 ZINC000941468026 610328474 /nfs/dbraw/zinc/32/84/74/610328474.db2.gz KYPRNEQZFOGLPJ-UHFFFAOYSA-N 1 1 340.431 0.666 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940688341 610330939 /nfs/dbraw/zinc/33/09/39/610330939.db2.gz ZIWYLVNPNLRFEG-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000941464996 610333901 /nfs/dbraw/zinc/33/39/01/610333901.db2.gz FBUCNSJJHQJZFH-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000941464996 610333902 /nfs/dbraw/zinc/33/39/02/610333902.db2.gz FBUCNSJJHQJZFH-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC000941481480 610335869 /nfs/dbraw/zinc/33/58/69/610335869.db2.gz YRPQICBCGCXYPP-INIZCTEOSA-N 1 1 334.464 0.259 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C3C[NH+](CCOC)C3)CC2)cc1 ZINC000941512602 610352143 /nfs/dbraw/zinc/35/21/43/610352143.db2.gz PGRMASBJHJDJJB-UHFFFAOYSA-N 1 1 327.428 0.756 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC000941513818 610352800 /nfs/dbraw/zinc/35/28/00/610352800.db2.gz SVUOSSBHCDWUSZ-OAHLLOKOSA-N 1 1 334.464 0.402 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941532005 610363614 /nfs/dbraw/zinc/36/36/14/610363614.db2.gz PCWLDYHVYIJIJZ-SFHVURJKSA-N 1 1 346.519 0.960 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](C)C1 ZINC000942259990 610364680 /nfs/dbraw/zinc/36/46/80/610364680.db2.gz VCSQQNCHEXRXEM-QWRGUYRKSA-N 1 1 327.406 0.553 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000940771907 610364428 /nfs/dbraw/zinc/36/44/28/610364428.db2.gz OCYNOBSZDVCQOP-IJEWVQPXSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000941593817 610389119 /nfs/dbraw/zinc/38/91/19/610389119.db2.gz UQBZDOTVJYNHLK-CVEARBPZSA-N 1 1 346.475 0.130 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC000941587015 610396959 /nfs/dbraw/zinc/39/69/59/610396959.db2.gz IFSZMQCYCFPCOB-OAHLLOKOSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940846639 610397781 /nfs/dbraw/zinc/39/77/81/610397781.db2.gz DTKXWLLSMJHPGM-KBPBESRZSA-N 1 1 345.447 0.786 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@@H]3CC)CC2)C1 ZINC000941632544 610418420 /nfs/dbraw/zinc/41/84/20/610418420.db2.gz JVFMFKRRTWSXGM-INIZCTEOSA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941636383 610422236 /nfs/dbraw/zinc/42/22/36/610422236.db2.gz KCHLSVMOXMKRCN-HNNXBMFYSA-N 1 1 340.899 0.909 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](C)C1 ZINC000942394966 610429077 /nfs/dbraw/zinc/42/90/77/610429077.db2.gz VHSQRQDIJTZKHK-CABCVRRESA-N 1 1 348.447 0.906 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](C)C1 ZINC000942395119 610429486 /nfs/dbraw/zinc/42/94/86/610429486.db2.gz WDIVJJFYURLBAJ-CABCVRRESA-N 1 1 346.431 0.353 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000940932342 610434477 /nfs/dbraw/zinc/43/44/77/610434477.db2.gz NPLUIEGAZLCDLU-GFCCVEGCSA-N 1 1 342.407 0.157 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665250 610456826 /nfs/dbraw/zinc/45/68/26/610456826.db2.gz OWFFYNBHWSLCEQ-AWEZNQCLSA-N 1 1 326.872 0.519 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000942434913 610460497 /nfs/dbraw/zinc/46/04/97/610460497.db2.gz LRKBEBVKPHXUNA-QWHCGFSZSA-N 1 1 345.403 0.761 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@H]1NC(=O)C(N)=O ZINC000940994772 610475074 /nfs/dbraw/zinc/47/50/74/610475074.db2.gz YRVZIBKOKGKAIS-OAHLLOKOSA-N 1 1 344.415 0.791 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)CC2(C)C)c1 ZINC000941015877 610495032 /nfs/dbraw/zinc/49/50/32/610495032.db2.gz WEVYUVJUYCFBMJ-IUODEOHRSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)c1 ZINC000941015877 610495033 /nfs/dbraw/zinc/49/50/33/610495033.db2.gz WEVYUVJUYCFBMJ-IUODEOHRSA-N 1 1 328.416 0.767 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H](C)C1 ZINC000942528048 610500523 /nfs/dbraw/zinc/50/05/23/610500523.db2.gz WZHGYFFIZMZAID-GXTWGEPZSA-N 1 1 341.415 0.795 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000941050125 610511155 /nfs/dbraw/zinc/51/11/55/610511155.db2.gz OGAZIZJRTACWMF-KBPBESRZSA-N 1 1 330.436 0.476 20 30 ECEDMO C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562147 610518021 /nfs/dbraw/zinc/51/80/21/610518021.db2.gz IBBUCCYUYZHKSB-WFASDCNBSA-N 1 1 339.403 0.722 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562147 610518022 /nfs/dbraw/zinc/51/80/22/610518022.db2.gz IBBUCCYUYZHKSB-WFASDCNBSA-N 1 1 339.403 0.722 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942563177 610519526 /nfs/dbraw/zinc/51/95/26/610519526.db2.gz VVZYIVLOBQQTEF-MFKMUULPSA-N 1 1 345.432 0.784 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1NC(=O)C(N)=O ZINC000942590767 610526338 /nfs/dbraw/zinc/52/63/38/610526338.db2.gz ADOXIGIIBRLMGQ-WFASDCNBSA-N 1 1 330.388 0.401 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](C)C2)cc1C#N ZINC000942592285 610526961 /nfs/dbraw/zinc/52/69/61/610526961.db2.gz VJJRMHRFYFTADU-FZMZJTMJSA-N 1 1 330.388 0.379 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000941090241 610531332 /nfs/dbraw/zinc/53/13/32/610531332.db2.gz ASCOGIITRAUJHO-JKGQDXBKSA-N 1 1 334.420 0.377 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000941091198 610531784 /nfs/dbraw/zinc/53/17/84/610531784.db2.gz OZVSLKDFZCDXBL-CQSZACIVSA-N 1 1 348.451 0.582 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H](C)C1 ZINC000942618130 610539328 /nfs/dbraw/zinc/53/93/28/610539328.db2.gz UEQUURNZPUJPDY-CMPLNLGQSA-N 1 1 341.437 0.073 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2C)c1 ZINC000942618386 610539421 /nfs/dbraw/zinc/53/94/21/610539421.db2.gz VESQALDTTXGEET-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nc1 ZINC000941881919 610540638 /nfs/dbraw/zinc/54/06/38/610540638.db2.gz MPJVOJNAZBNWSA-GDBMZVCRSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000941153290 610565494 /nfs/dbraw/zinc/56/54/94/610565494.db2.gz YZRRBYIXQDIAJK-ZFWWWQNUSA-N 1 1 331.420 0.703 20 30 ECEDMO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929540 610567447 /nfs/dbraw/zinc/56/74/47/610567447.db2.gz NTECYKUFRLVKHR-TZMCWYRMSA-N 1 1 327.392 0.618 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000941160938 610569177 /nfs/dbraw/zinc/56/91/77/610569177.db2.gz JWXNKRQQCMIQFW-SNVBAGLBSA-N 1 1 334.376 0.360 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000941147779 610573434 /nfs/dbraw/zinc/57/34/34/610573434.db2.gz JTDPNSIRMGPBEP-ZDUSSCGKSA-N 1 1 336.436 0.721 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000941149397 610573970 /nfs/dbraw/zinc/57/39/70/610573970.db2.gz XXRCJTSZXOJXQX-ZDUSSCGKSA-N 1 1 334.420 0.168 20 30 ECEDMO C[C@H]1C[N@@H+](CCN2CCNC2=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966860 610581169 /nfs/dbraw/zinc/58/11/69/610581169.db2.gz OJBDCXZKZIOQID-GXTWGEPZSA-N 1 1 344.419 0.352 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000941192115 610586528 /nfs/dbraw/zinc/58/65/28/610586528.db2.gz XZEVSHXZHLGBDI-CQSZACIVSA-N 1 1 335.452 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2oncc2C)C1 ZINC000941241639 610614385 /nfs/dbraw/zinc/61/43/85/610614385.db2.gz ILBODFXVTOGZNY-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2oncc2C)C1 ZINC000941241639 610614388 /nfs/dbraw/zinc/61/43/88/610614388.db2.gz ILBODFXVTOGZNY-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC000941241994 610614763 /nfs/dbraw/zinc/61/47/63/610614763.db2.gz QTLOVXHAWSGZOA-OLZOCXBDSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC000941241994 610614766 /nfs/dbraw/zinc/61/47/66/610614766.db2.gz QTLOVXHAWSGZOA-OLZOCXBDSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C(C)(C)C1 ZINC000941237289 610620758 /nfs/dbraw/zinc/62/07/58/610620758.db2.gz KHYLWTJKTJHGBX-LSDHHAIUSA-N 1 1 329.448 0.999 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000941237798 610621481 /nfs/dbraw/zinc/62/14/81/610621481.db2.gz JXPVNIOVGVXRJM-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000941237798 610621483 /nfs/dbraw/zinc/62/14/83/610621483.db2.gz JXPVNIOVGVXRJM-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cncnc2C)C1 ZINC000941238043 610622261 /nfs/dbraw/zinc/62/22/61/610622261.db2.gz QTLYXFITPMXJKF-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cncnc2C)C1 ZINC000941238043 610622263 /nfs/dbraw/zinc/62/22/63/610622263.db2.gz QTLYXFITPMXJKF-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H](C)C1 ZINC000942062235 610637998 /nfs/dbraw/zinc/63/79/98/610637998.db2.gz VVFWUCVDIHEOFJ-ZIAGYGMSSA-N 1 1 333.432 0.621 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1C ZINC000947899729 610639857 /nfs/dbraw/zinc/63/98/57/610639857.db2.gz MPSFYXGRNSMDAI-LSDHHAIUSA-N 1 1 347.463 0.926 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@H](C)C1 ZINC000942893539 610669852 /nfs/dbraw/zinc/66/98/52/610669852.db2.gz KNQCPFFXQNUKPR-UKRRQHHQSA-N 1 1 328.416 0.952 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@H](C)C1 ZINC000942163052 610682090 /nfs/dbraw/zinc/68/20/90/610682090.db2.gz FOOYSLGAGSJGOH-ZIAGYGMSSA-N 1 1 326.404 0.896 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H](C)C1 ZINC000942176775 610686571 /nfs/dbraw/zinc/68/65/71/610686571.db2.gz QHCPCRJNHVKBQN-ZFWWWQNUSA-N 1 1 338.473 0.661 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000943198928 610744248 /nfs/dbraw/zinc/74/42/48/610744248.db2.gz IZJWZOQUPFIJNX-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccnc3nc(C)nn32)[C@H](C)C1 ZINC000944134342 610751252 /nfs/dbraw/zinc/75/12/52/610751252.db2.gz CUAMIFANUVAJFV-TZMCWYRMSA-N 1 1 326.404 0.896 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000944147501 610757588 /nfs/dbraw/zinc/75/75/88/610757588.db2.gz AQSUMMFWNDCKNU-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943289656 610782028 /nfs/dbraw/zinc/78/20/28/610782028.db2.gz NERJERWZPHZFNK-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943289656 610782030 /nfs/dbraw/zinc/78/20/30/610782030.db2.gz NERJERWZPHZFNK-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)CSC)C1 ZINC000943335893 610807418 /nfs/dbraw/zinc/80/74/18/610807418.db2.gz KIWNGMJSYQFXGT-CABCVRRESA-N 1 1 337.489 0.944 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)CSC)C1 ZINC000943335893 610807420 /nfs/dbraw/zinc/80/74/20/610807420.db2.gz KIWNGMJSYQFXGT-CABCVRRESA-N 1 1 337.489 0.944 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@H](C)C1 ZINC000944919040 610839941 /nfs/dbraw/zinc/83/99/41/610839941.db2.gz MGXPSZXNPHIGFV-KGLIPLIRSA-N 1 1 326.404 0.517 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@H](C)C1 ZINC000944921082 610840633 /nfs/dbraw/zinc/84/06/33/610840633.db2.gz YJOOZCMLESUTAD-ZIAGYGMSSA-N 1 1 326.404 0.517 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@@H](C)C1 ZINC000944921079 610840690 /nfs/dbraw/zinc/84/06/90/610840690.db2.gz YJOOZCMLESUTAD-KBPBESRZSA-N 1 1 326.404 0.517 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000943505515 610878927 /nfs/dbraw/zinc/87/89/27/610878927.db2.gz XZIZAPHNPIMFOE-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000943505515 610878930 /nfs/dbraw/zinc/87/89/30/610878930.db2.gz XZIZAPHNPIMFOE-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](C)C1 ZINC000943516328 610881683 /nfs/dbraw/zinc/88/16/83/610881683.db2.gz LMDHKBJXAFOCBH-GJZGRUSLSA-N 1 1 346.435 0.029 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@@H](C)C1 ZINC000944444147 610889768 /nfs/dbraw/zinc/88/97/68/610889768.db2.gz JKNJDHZXIFQFJV-WCQYABFASA-N 1 1 325.372 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCOC2)CC1 ZINC000943646765 610927133 /nfs/dbraw/zinc/92/71/33/610927133.db2.gz WPLKLWTWQVBGIT-VQHPVUNQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCOC2)CC1 ZINC000943646765 610927135 /nfs/dbraw/zinc/92/71/35/610927135.db2.gz WPLKLWTWQVBGIT-VQHPVUNQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H](C)C1 ZINC000943761349 610978875 /nfs/dbraw/zinc/97/88/75/610978875.db2.gz LKBMFABMCZWNLQ-CJNGLKHVSA-N 1 1 330.432 0.710 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)CC[N@H+]1C ZINC000944617456 611016646 /nfs/dbraw/zinc/01/66/46/611016646.db2.gz XWCAEGWWYUPWRQ-YESZJQIVSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccnn1C ZINC000943906861 611028445 /nfs/dbraw/zinc/02/84/45/611028445.db2.gz NZHQCZBKIUVYOW-CABCVRRESA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccnn1C ZINC000943906861 611028447 /nfs/dbraw/zinc/02/84/47/611028447.db2.gz NZHQCZBKIUVYOW-CABCVRRESA-N 1 1 343.431 0.239 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000948560651 611032140 /nfs/dbraw/zinc/03/21/40/611032140.db2.gz DIHWSNOWAQNOCD-INIZCTEOSA-N 1 1 334.464 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)/C=C\C2CC2)CCO1 ZINC000944649017 611057839 /nfs/dbraw/zinc/05/78/39/611057839.db2.gz YCGKDUUAZLFJJM-IIAQQRLMSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)/C=C\C2CC2)CCO1 ZINC000944649017 611057842 /nfs/dbraw/zinc/05/78/42/611057842.db2.gz YCGKDUUAZLFJJM-IIAQQRLMSA-N 1 1 345.443 0.394 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 ZINC000944652266 611060158 /nfs/dbraw/zinc/06/01/58/611060158.db2.gz HSAUNWIIVCVANU-QWHCGFSZSA-N 1 1 336.436 0.720 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](C)C1 ZINC000944030683 611092805 /nfs/dbraw/zinc/09/28/05/611092805.db2.gz AAKCBBBOVKLQRA-LSDHHAIUSA-N 1 1 345.447 0.231 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)NCc2nnc(-c3ccncc3)[nH]2)CC1 ZINC000922901792 611178839 /nfs/dbraw/zinc/17/88/39/611178839.db2.gz DKIQAHYPQRSZCM-UHFFFAOYSA-N 1 1 339.403 0.764 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)CC[C@@H]2C1 ZINC000946859660 611202799 /nfs/dbraw/zinc/20/27/99/611202799.db2.gz ZEGONJCSMKTVOQ-GASCZTMLSA-N 1 1 348.447 0.627 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000946092691 611227681 /nfs/dbraw/zinc/22/76/81/611227681.db2.gz MCUASWPHPVOSFK-DOMZBBRYSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)CC[C@@H]2C1 ZINC000946890199 611230400 /nfs/dbraw/zinc/23/04/00/611230400.db2.gz IZFUBLGTZFBHFY-OKILXGFUSA-N 1 1 346.431 0.846 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C(C)=O)CC[C@@H]2C1 ZINC000946895926 611238336 /nfs/dbraw/zinc/23/83/36/611238336.db2.gz DEFREMUXYAAFKN-KSZLIROESA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]3CC2)CC1 ZINC000946901879 611244859 /nfs/dbraw/zinc/24/48/59/611244859.db2.gz HFXGIMJIKKQOSX-HDICACEKSA-N 1 1 333.476 0.494 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]3CC2)CC1 ZINC000946901879 611244861 /nfs/dbraw/zinc/24/48/61/611244861.db2.gz HFXGIMJIKKQOSX-HDICACEKSA-N 1 1 333.476 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 ZINC000923550906 611260679 /nfs/dbraw/zinc/26/06/79/611260679.db2.gz GTZWDYSFSWCMGP-KGLIPLIRSA-N 1 1 339.436 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 ZINC000923550906 611260680 /nfs/dbraw/zinc/26/06/80/611260680.db2.gz GTZWDYSFSWCMGP-KGLIPLIRSA-N 1 1 339.436 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000923572055 611265211 /nfs/dbraw/zinc/26/52/11/611265211.db2.gz UVWARWPURRNKPQ-QWHCGFSZSA-N 1 1 329.466 0.164 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000923572055 611265212 /nfs/dbraw/zinc/26/52/12/611265212.db2.gz UVWARWPURRNKPQ-QWHCGFSZSA-N 1 1 329.466 0.164 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000923590022 611270487 /nfs/dbraw/zinc/27/04/87/611270487.db2.gz WMPVCBQHLHFZTB-ZDUSSCGKSA-N 1 1 325.372 0.005 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000923590022 611270488 /nfs/dbraw/zinc/27/04/88/611270488.db2.gz WMPVCBQHLHFZTB-ZDUSSCGKSA-N 1 1 325.372 0.005 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCc2c(C)nc3ncnn3c2C)C1 ZINC000923591678 611270941 /nfs/dbraw/zinc/27/09/41/611270941.db2.gz BEPKLMXUNYMWNP-OAHLLOKOSA-N 1 1 340.431 0.888 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c(C)nc3ncnn3c2C)C1 ZINC000923591678 611270942 /nfs/dbraw/zinc/27/09/42/611270942.db2.gz BEPKLMXUNYMWNP-OAHLLOKOSA-N 1 1 340.431 0.888 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000834600452 611294566 /nfs/dbraw/zinc/29/45/66/611294566.db2.gz YQDOGHZOTBLUOJ-SJORKVTESA-N 1 1 348.491 0.248 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000834687426 611296818 /nfs/dbraw/zinc/29/68/18/611296818.db2.gz ZLIALBCRSPAMPY-CVEARBPZSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000834698977 611297410 /nfs/dbraw/zinc/29/74/10/611297410.db2.gz SWFJPIFQICATSJ-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000835489871 611308013 /nfs/dbraw/zinc/30/80/13/611308013.db2.gz MKBGZMGARXZSFM-INIZCTEOSA-N 1 1 329.400 0.569 20 30 ECEDMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1 ZINC000946558360 611319120 /nfs/dbraw/zinc/31/91/20/611319120.db2.gz BJJRHKAOWMGJFG-ZENOOKHLSA-N 1 1 343.431 0.934 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCO[C@](C)(C#N)C2)C1 ZINC000933593959 611734938 /nfs/dbraw/zinc/73/49/38/611734938.db2.gz FZWFWWYAJVTRBV-NVXWUHKLSA-N 1 1 338.452 0.074 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1C ZINC000947899944 611735896 /nfs/dbraw/zinc/73/58/96/611735896.db2.gz OALFHYQVPOLRJF-UONOGXRCSA-N 1 1 333.436 0.536 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C ZINC000947899943 611735974 /nfs/dbraw/zinc/73/59/74/611735974.db2.gz OALFHYQVPOLRJF-KGLIPLIRSA-N 1 1 333.436 0.536 20 30 ECEDMO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933653675 611738974 /nfs/dbraw/zinc/73/89/74/611738974.db2.gz VVBJKPFKGUJHKC-AWEZNQCLSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@@H]1C ZINC000947944130 611750707 /nfs/dbraw/zinc/75/07/07/611750707.db2.gz RHIVORDMDMTXNA-AAEUAGOBSA-N 1 1 325.368 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@@H](C)C2)nc1 ZINC000947947383 611751943 /nfs/dbraw/zinc/75/19/43/611751943.db2.gz GCGAZPDFWKXGJB-ZFWWWQNUSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@@H](C)C2)nc1 ZINC000947947383 611751945 /nfs/dbraw/zinc/75/19/45/611751945.db2.gz GCGAZPDFWKXGJB-ZFWWWQNUSA-N 1 1 338.415 0.974 20 30 ECEDMO C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC000948955497 611767523 /nfs/dbraw/zinc/76/75/23/611767523.db2.gz WZUMUHPLXSIVJN-HZPDHXFCSA-N 1 1 326.400 0.407 20 30 ECEDMO C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC000948955493 611767539 /nfs/dbraw/zinc/76/75/39/611767539.db2.gz WZUMUHPLXSIVJN-CVEARBPZSA-N 1 1 326.400 0.407 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(CC)C(=O)[C@H]3CCCC[N@H+]3C)C2)C1=O ZINC000950631453 611805736 /nfs/dbraw/zinc/80/57/36/611805736.db2.gz OCEHLTLVSQVJAT-IAGOWNOFSA-N 1 1 348.491 0.790 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C ZINC000949900941 611806515 /nfs/dbraw/zinc/80/65/15/611806515.db2.gz UNELCAMOBLDQEN-LVQVYYBASA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C ZINC000949900941 611806517 /nfs/dbraw/zinc/80/65/17/611806517.db2.gz UNELCAMOBLDQEN-LVQVYYBASA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1=COCCC1 ZINC000949070130 611841249 /nfs/dbraw/zinc/84/12/49/611841249.db2.gz XBVRHIOKKPFKQO-HOTGVXAUSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1=COCCC1 ZINC000949070130 611841252 /nfs/dbraw/zinc/84/12/52/611841252.db2.gz XBVRHIOKKPFKQO-HOTGVXAUSA-N 1 1 331.416 0.495 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)nn1 ZINC000950057084 611855563 /nfs/dbraw/zinc/85/55/63/611855563.db2.gz QLLDSEWJAZJQTA-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1cnoc1 ZINC000950755093 611890956 /nfs/dbraw/zinc/89/09/56/611890956.db2.gz CZRYRZLCSXGULB-CABCVRRESA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1cnoc1 ZINC000950755093 611890957 /nfs/dbraw/zinc/89/09/57/611890957.db2.gz CZRYRZLCSXGULB-CABCVRRESA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccnc(C)n1 ZINC000950755737 611891228 /nfs/dbraw/zinc/89/12/28/611891228.db2.gz STEDPZYOFIKTAG-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccnc(C)n1 ZINC000950755737 611891230 /nfs/dbraw/zinc/89/12/30/611891230.db2.gz STEDPZYOFIKTAG-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccnn1CC ZINC000950755643 611891241 /nfs/dbraw/zinc/89/12/41/611891241.db2.gz QOAZVRDPSMRREI-CABCVRRESA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccnn1CC ZINC000950755643 611891244 /nfs/dbraw/zinc/89/12/44/611891244.db2.gz QOAZVRDPSMRREI-CABCVRRESA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1ccc(C)n1 ZINC000950755739 611891260 /nfs/dbraw/zinc/89/12/60/611891260.db2.gz STVHAUPAIQBUHL-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1ccc(C)n1 ZINC000950755739 611891262 /nfs/dbraw/zinc/89/12/62/611891262.db2.gz STVHAUPAIQBUHL-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]nc1CC ZINC000950755843 611891343 /nfs/dbraw/zinc/89/13/43/611891343.db2.gz VXHQWXZUHDPSIU-BBRMVZONSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]nc1CC ZINC000950755843 611891344 /nfs/dbraw/zinc/89/13/44/611891344.db2.gz VXHQWXZUHDPSIU-BBRMVZONSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cn(C)nc1C ZINC000950755797 611891366 /nfs/dbraw/zinc/89/13/66/611891366.db2.gz UQBQZTWLGBZJPY-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cn(C)nc1C ZINC000950755797 611891367 /nfs/dbraw/zinc/89/13/67/611891367.db2.gz UQBQZTWLGBZJPY-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000949243990 611917146 /nfs/dbraw/zinc/91/71/46/611917146.db2.gz UBDFOWRYHYROLZ-DLBZAZTESA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000949243990 611917147 /nfs/dbraw/zinc/91/71/47/611917147.db2.gz UBDFOWRYHYROLZ-DLBZAZTESA-N 1 1 341.411 0.329 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC000949370202 611954473 /nfs/dbraw/zinc/95/44/73/611954473.db2.gz NUGBIYLJSWJIKB-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC000949370202 611954475 /nfs/dbraw/zinc/95/44/75/611954475.db2.gz NUGBIYLJSWJIKB-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC000949412531 611970034 /nfs/dbraw/zinc/97/00/34/611970034.db2.gz YABIACPLHQLJSI-INIZCTEOSA-N 1 1 347.459 0.762 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC000949412531 611970035 /nfs/dbraw/zinc/97/00/35/611970035.db2.gz YABIACPLHQLJSI-INIZCTEOSA-N 1 1 347.459 0.762 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000950321927 611970113 /nfs/dbraw/zinc/97/01/13/611970113.db2.gz CVTPVPDPHUVOGA-CQSZACIVSA-N 1 1 340.387 0.812 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)cn3)CC2)C1 ZINC000949418898 611972385 /nfs/dbraw/zinc/97/23/85/611972385.db2.gz JTFYENSPGURJDF-UHFFFAOYSA-N 1 1 332.404 0.273 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)cn3)CC2)C1 ZINC000949418898 611972386 /nfs/dbraw/zinc/97/23/86/611972386.db2.gz JTFYENSPGURJDF-UHFFFAOYSA-N 1 1 332.404 0.273 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468791 611990692 /nfs/dbraw/zinc/99/06/92/611990692.db2.gz MFWXRBUEOSYALP-OAHLLOKOSA-N 1 1 335.448 0.925 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468791 611990694 /nfs/dbraw/zinc/99/06/94/611990694.db2.gz MFWXRBUEOSYALP-OAHLLOKOSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949480199 611995863 /nfs/dbraw/zinc/99/58/63/611995863.db2.gz LFSUQTZUQTWKNH-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC000949518533 612018520 /nfs/dbraw/zinc/01/85/20/612018520.db2.gz XMOCGXQGAJUMRZ-UHFFFAOYSA-N 1 1 346.431 0.759 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC000949518533 612018522 /nfs/dbraw/zinc/01/85/22/612018522.db2.gz XMOCGXQGAJUMRZ-UHFFFAOYSA-N 1 1 346.431 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1C ZINC000949586275 612036508 /nfs/dbraw/zinc/03/65/08/612036508.db2.gz XPCQIPFIRDWZDW-OIISXLGYSA-N 1 1 342.443 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1C ZINC000949586275 612036510 /nfs/dbraw/zinc/03/65/10/612036510.db2.gz XPCQIPFIRDWZDW-OIISXLGYSA-N 1 1 342.443 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnnc(C)c1 ZINC000949596179 612038206 /nfs/dbraw/zinc/03/82/06/612038206.db2.gz VNHDLLOGKGKOHG-CVEARBPZSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnnc(C)c1 ZINC000949596179 612038208 /nfs/dbraw/zinc/03/82/08/612038208.db2.gz VNHDLLOGKGKOHG-CVEARBPZSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000950505339 612044277 /nfs/dbraw/zinc/04/42/77/612044277.db2.gz ZMVFSGQYALDWRR-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000950505339 612044278 /nfs/dbraw/zinc/04/42/78/612044278.db2.gz ZMVFSGQYALDWRR-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950518139 612050074 /nfs/dbraw/zinc/05/00/74/612050074.db2.gz XHUMZTLHWDIIBQ-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H]2CCN(CC)C2=O)C1 ZINC000950533510 612057752 /nfs/dbraw/zinc/05/77/52/612057752.db2.gz IUKNEPCPSFFLMI-DLBZAZTESA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H]2CCN(CC)C2=O)C1 ZINC000950533510 612057753 /nfs/dbraw/zinc/05/77/53/612057753.db2.gz IUKNEPCPSFFLMI-DLBZAZTESA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccncc1C ZINC000949818744 612081219 /nfs/dbraw/zinc/08/12/19/612081219.db2.gz OEDXWQININHDNK-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccncc1C ZINC000949818744 612081220 /nfs/dbraw/zinc/08/12/20/612081220.db2.gz OEDXWQININHDNK-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1F ZINC000951831688 612084070 /nfs/dbraw/zinc/08/40/70/612084070.db2.gz KQDICBGNTIWZCD-HIFRSBDPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1F ZINC000951831688 612084072 /nfs/dbraw/zinc/08/40/72/612084072.db2.gz KQDICBGNTIWZCD-HIFRSBDPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccnn2C)C1 ZINC000951223541 612088436 /nfs/dbraw/zinc/08/84/36/612088436.db2.gz KANUZPRTDJLFFO-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccnn2C)C1 ZINC000951223541 612088437 /nfs/dbraw/zinc/08/84/37/612088437.db2.gz KANUZPRTDJLFFO-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000951223590 612088565 /nfs/dbraw/zinc/08/85/65/612088565.db2.gz LFOYZSYUHRTUGD-GJZGRUSLSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000951223590 612088567 /nfs/dbraw/zinc/08/85/67/612088567.db2.gz LFOYZSYUHRTUGD-GJZGRUSLSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000953034529 612143994 /nfs/dbraw/zinc/14/39/94/612143994.db2.gz FIOKTMSIMVLUBE-QFBILLFUSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000953034529 612143996 /nfs/dbraw/zinc/14/39/96/612143996.db2.gz FIOKTMSIMVLUBE-QFBILLFUSA-N 1 1 329.444 0.945 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000951950955 612149755 /nfs/dbraw/zinc/14/97/55/612149755.db2.gz NIFFLIJBMKMVFI-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000951950955 612149757 /nfs/dbraw/zinc/14/97/57/612149757.db2.gz NIFFLIJBMKMVFI-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ocnc1CC ZINC000952009168 612173819 /nfs/dbraw/zinc/17/38/19/612173819.db2.gz BHSFYVIULQMFAO-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ocnc1CC ZINC000952009168 612173820 /nfs/dbraw/zinc/17/38/20/612173820.db2.gz BHSFYVIULQMFAO-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2nocc2C)C1 ZINC000952012919 612175998 /nfs/dbraw/zinc/17/59/98/612175998.db2.gz BYTOPMQJNVCHTD-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2nocc2C)C1 ZINC000952012919 612175999 /nfs/dbraw/zinc/17/59/99/612175999.db2.gz BYTOPMQJNVCHTD-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000951354113 612178812 /nfs/dbraw/zinc/17/88/12/612178812.db2.gz HWQNOZKEDJTGST-UARSRXHTSA-N 1 1 347.459 0.779 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000953192239 612198512 /nfs/dbraw/zinc/19/85/12/612198512.db2.gz GDOFWUUSAVCBTD-SUMWQHHRSA-N 1 1 329.404 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000951437185 612233298 /nfs/dbraw/zinc/23/32/98/612233298.db2.gz JGKSZKNIBWVRFU-IAGOWNOFSA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000951437185 612233299 /nfs/dbraw/zinc/23/32/99/612233299.db2.gz JGKSZKNIBWVRFU-IAGOWNOFSA-N 1 1 341.411 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000952151999 612251218 /nfs/dbraw/zinc/25/12/18/612251218.db2.gz YGIFFDRXUSPRFE-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000952151999 612251221 /nfs/dbraw/zinc/25/12/21/612251221.db2.gz YGIFFDRXUSPRFE-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccnc(F)c2)C1 ZINC000953857905 612358439 /nfs/dbraw/zinc/35/84/39/612358439.db2.gz YBLQMYJIKWCMNL-HNNXBMFYSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccnc(F)c2)C1 ZINC000953857905 612358444 /nfs/dbraw/zinc/35/84/44/612358444.db2.gz YBLQMYJIKWCMNL-HNNXBMFYSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2coc(C)c2)C1 ZINC000954630742 612467922 /nfs/dbraw/zinc/46/79/22/612467922.db2.gz IAYWBGKAJVWSMT-INIZCTEOSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2coc(C)c2)C1 ZINC000954630742 612467927 /nfs/dbraw/zinc/46/79/27/612467927.db2.gz IAYWBGKAJVWSMT-INIZCTEOSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nocc2C)C1 ZINC000954630877 612469724 /nfs/dbraw/zinc/46/97/24/612469724.db2.gz NPTICLGEONWOLL-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nocc2C)C1 ZINC000954630877 612469725 /nfs/dbraw/zinc/46/97/25/612469725.db2.gz NPTICLGEONWOLL-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000951687052 612471180 /nfs/dbraw/zinc/47/11/80/612471180.db2.gz UEEJJYKFCOKDQC-HMDCTGQHSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000951687052 612471186 /nfs/dbraw/zinc/47/11/86/612471186.db2.gz UEEJJYKFCOKDQC-HMDCTGQHSA-N 1 1 329.444 0.847 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC000955970106 612542464 /nfs/dbraw/zinc/54/24/64/612542464.db2.gz JQQBSBIXJQTSRX-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1coc(C)n1 ZINC000955980494 612559158 /nfs/dbraw/zinc/55/91/58/612559158.db2.gz AFHFPMBOZLUXDM-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1coc(C)n1 ZINC000955980494 612559160 /nfs/dbraw/zinc/55/91/60/612559160.db2.gz AFHFPMBOZLUXDM-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000954043049 612584886 /nfs/dbraw/zinc/58/48/86/612584886.db2.gz LIOOZDQSFOVERG-DLBZAZTESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000954043049 612584890 /nfs/dbraw/zinc/58/48/90/612584890.db2.gz LIOOZDQSFOVERG-DLBZAZTESA-N 1 1 347.459 0.712 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956837252 612607721 /nfs/dbraw/zinc/60/77/21/612607721.db2.gz IQOHWYLIOHQXQD-SCLBCKFNSA-N 1 1 343.431 0.949 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956837405 612607774 /nfs/dbraw/zinc/60/77/74/612607774.db2.gz LLMYWJRCHGSBQI-KRWDZBQOSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ncccn2)C1 ZINC000951783682 612608685 /nfs/dbraw/zinc/60/86/85/612608685.db2.gz FBHYDGXVYIAUSQ-CABCVRRESA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ncccn2)C1 ZINC000951783682 612608689 /nfs/dbraw/zinc/60/86/89/612608689.db2.gz FBHYDGXVYIAUSQ-CABCVRRESA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H](C)n2cccc2)C1 ZINC000954074334 612633255 /nfs/dbraw/zinc/63/32/55/612633255.db2.gz LCROKFRQTVOEIT-RDJZCZTQSA-N 1 1 342.443 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H](C)n2cccc2)C1 ZINC000954074334 612633259 /nfs/dbraw/zinc/63/32/59/612633259.db2.gz LCROKFRQTVOEIT-RDJZCZTQSA-N 1 1 342.443 0.816 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000954109844 612673179 /nfs/dbraw/zinc/67/31/79/612673179.db2.gz HLYSROSUMXOSBB-UHFFFAOYSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccn(C)c1 ZINC000956073035 612676753 /nfs/dbraw/zinc/67/67/53/612676753.db2.gz LDYBDGHJMINPIO-IRXDYDNUSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccn(C)c1 ZINC000956073035 612676755 /nfs/dbraw/zinc/67/67/55/612676755.db2.gz LDYBDGHJMINPIO-IRXDYDNUSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cnccn1 ZINC000956074528 612677865 /nfs/dbraw/zinc/67/78/65/612677865.db2.gz ZXLINLIYLPBCKT-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cnccn1 ZINC000956074528 612677868 /nfs/dbraw/zinc/67/78/68/612677868.db2.gz ZXLINLIYLPBCKT-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2[nH]ccc2C)C1 ZINC000954183478 612743824 /nfs/dbraw/zinc/74/38/24/612743824.db2.gz ZDJVKVVZWPADMF-HNNXBMFYSA-N 1 1 328.416 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2[nH]ccc2C)C1 ZINC000954183478 612743827 /nfs/dbraw/zinc/74/38/27/612743827.db2.gz ZDJVKVVZWPADMF-HNNXBMFYSA-N 1 1 328.416 0.704 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000954913132 612782483 /nfs/dbraw/zinc/78/24/83/612782483.db2.gz QFFINTVKKYHGIO-CQSZACIVSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H]2CCOC2)CC1 ZINC000956309998 612824673 /nfs/dbraw/zinc/82/46/73/612824673.db2.gz BGYOORPKNOYXPX-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H]2CCOC2)CC1 ZINC000956309998 612824676 /nfs/dbraw/zinc/82/46/76/612824676.db2.gz BGYOORPKNOYXPX-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000954327320 612859033 /nfs/dbraw/zinc/85/90/33/612859033.db2.gz FDRUTWBXKIZCCB-CVEARBPZSA-N 1 1 346.431 0.842 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000956412262 612873441 /nfs/dbraw/zinc/87/34/41/612873441.db2.gz KRLVCBWGOQYAEK-MGPQQGTHSA-N 1 1 336.436 0.362 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000956412262 612873443 /nfs/dbraw/zinc/87/34/43/612873443.db2.gz KRLVCBWGOQYAEK-MGPQQGTHSA-N 1 1 336.436 0.362 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000954405694 612894369 /nfs/dbraw/zinc/89/43/69/612894369.db2.gz WKTBZVKLULDERL-CVEARBPZSA-N 1 1 346.431 0.842 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000954424568 612903107 /nfs/dbraw/zinc/90/31/07/612903107.db2.gz JJVDLBUIKSUWLJ-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000954424568 612903108 /nfs/dbraw/zinc/90/31/08/612903108.db2.gz JJVDLBUIKSUWLJ-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccccn2)C1 ZINC000956636093 612926667 /nfs/dbraw/zinc/92/66/67/612926667.db2.gz ULSOIECCRNNITI-LPHOPBHVSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccccn2)C1 ZINC000956636093 612926668 /nfs/dbraw/zinc/92/66/68/612926668.db2.gz ULSOIECCRNNITI-LPHOPBHVSA-N 1 1 340.427 0.900 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC001041786697 782205050 /nfs/dbraw/zinc/20/50/50/782205050.db2.gz IPKDPRDCKIIXDA-INIZCTEOSA-N 1 1 328.376 0.142 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC001041786852 782206208 /nfs/dbraw/zinc/20/62/08/782206208.db2.gz WITXHDGJQBIWMX-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786852 782206217 /nfs/dbraw/zinc/20/62/17/782206217.db2.gz WITXHDGJQBIWMX-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786852 782206222 /nfs/dbraw/zinc/20/62/22/782206222.db2.gz WITXHDGJQBIWMX-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786852 782206227 /nfs/dbraw/zinc/20/62/27/782206227.db2.gz WITXHDGJQBIWMX-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786852 782206240 /nfs/dbraw/zinc/20/62/40/782206240.db2.gz WITXHDGJQBIWMX-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4n[nH]c(C)c4c3)[C@H]2C1 ZINC001083274909 738411806 /nfs/dbraw/zinc/41/18/06/738411806.db2.gz GLJDLMMBPWOHEY-JKSUJKDBSA-N 1 1 339.399 0.815 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4n[nH]c(C)c4c3)[C@H]2C1 ZINC001083274909 738411807 /nfs/dbraw/zinc/41/18/07/738411807.db2.gz GLJDLMMBPWOHEY-JKSUJKDBSA-N 1 1 339.399 0.815 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(CCO)CCNc1cc(C)[nH+]c(C)n1 ZINC001111582774 731481075 /nfs/dbraw/zinc/48/10/75/731481075.db2.gz NKKAPQGQUMXCLG-INIZCTEOSA-N 1 1 345.447 0.424 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1ccncc1C#N ZINC001125278471 731547446 /nfs/dbraw/zinc/54/74/46/731547446.db2.gz DHVMIEYNWLDGBJ-GOEBONIOSA-N 1 1 345.447 0.693 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ncccc2C#N)C1 ZINC001125280009 731572598 /nfs/dbraw/zinc/57/25/98/731572598.db2.gz OMHUJDQFKZJWSH-HOCLYGCPSA-N 1 1 345.447 0.551 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](CC)C(N)=O)C3)C2)cn1 ZINC001041795187 782224677 /nfs/dbraw/zinc/22/46/77/782224677.db2.gz ZORPOVLLGFZPBS-LPHOPBHVSA-N 1 1 340.427 0.865 20 30 ECEDMO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001041808682 782246156 /nfs/dbraw/zinc/24/61/56/782246156.db2.gz NGTHUFCWUWONOM-SRCQZFHVSA-N 1 1 346.406 0.969 20 30 ECEDMO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001041808682 782246166 /nfs/dbraw/zinc/24/61/66/782246166.db2.gz NGTHUFCWUWONOM-SRCQZFHVSA-N 1 1 346.406 0.969 20 30 ECEDMO C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C#CC1CC1)C[C@H](C)O2 ZINC001098596602 738553828 /nfs/dbraw/zinc/55/38/28/738553828.db2.gz WSRNZIUWIWBLHI-UONOGXRCSA-N 1 1 333.432 0.356 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccn(C)c3)C2)C1=O ZINC000969495143 731930056 /nfs/dbraw/zinc/93/00/56/731930056.db2.gz WIGLFNYJFTUSBG-CJNGLKHVSA-N 1 1 330.432 0.862 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cn(C)cn3)C2)C1=O ZINC000969499755 731932548 /nfs/dbraw/zinc/93/25/48/731932548.db2.gz ARKWDYYTYBHCQP-IUODEOHRSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cncnc3)C2)C1=O ZINC000969539472 731955588 /nfs/dbraw/zinc/95/55/88/731955588.db2.gz OFFRJKZVABERNT-IUODEOHRSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)c3cc(CCC)[nH]n3)C2)C1=O ZINC000969542373 731961311 /nfs/dbraw/zinc/96/13/11/731961311.db2.gz XDFXELDIVRNWGU-HUUCEWRRSA-N 1 1 345.447 0.953 20 30 ECEDMO N#Cc1cncc(N2CC[NH+]([C@H]3CCN(C(=O)CCCF)C3)CC2)n1 ZINC001111964962 738564096 /nfs/dbraw/zinc/56/40/96/738564096.db2.gz OHJNFSWTPXSVFQ-HNNXBMFYSA-N 1 1 346.410 0.821 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cnc(C)nc2)C1 ZINC000969865496 732462136 /nfs/dbraw/zinc/46/21/36/732462136.db2.gz PKWYNJVICIUCRJ-KDOFPFPSSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cnc(C)nc2)C1 ZINC000969865496 732462140 /nfs/dbraw/zinc/46/21/40/732462140.db2.gz PKWYNJVICIUCRJ-KDOFPFPSSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ncc(C)cn2)C1 ZINC000969866543 732465263 /nfs/dbraw/zinc/46/52/63/732465263.db2.gz YBDGXXZWTSGLTM-RDJZCZTQSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ncc(C)cn2)C1 ZINC000969866543 732465266 /nfs/dbraw/zinc/46/52/66/732465266.db2.gz YBDGXXZWTSGLTM-RDJZCZTQSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ccn(CC)n2)C1 ZINC000969866554 732465307 /nfs/dbraw/zinc/46/53/07/732465307.db2.gz YDRCUYGSFKEKDP-YJBOKZPZSA-N 1 1 343.475 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ccn(CC)n2)C1 ZINC000969866554 732465309 /nfs/dbraw/zinc/46/53/09/732465309.db2.gz YDRCUYGSFKEKDP-YJBOKZPZSA-N 1 1 343.475 0.937 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@]2(C)CCN(C(C)=O)C2)CC1 ZINC001098526663 732551735 /nfs/dbraw/zinc/55/17/35/732551735.db2.gz NKMPXWNZLIPQLZ-LJQANCHMSA-N 1 1 349.475 0.554 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(-n4cnnn4)c3)C2)C1 ZINC001041822634 782273608 /nfs/dbraw/zinc/27/36/08/782273608.db2.gz RVNYHGSSEQDUAU-GOSISDBHSA-N 1 1 336.399 0.834 20 30 ECEDMO C#CC[N@@H+](CCO)C1CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC001098532930 733054268 /nfs/dbraw/zinc/05/42/68/733054268.db2.gz KWSKBINNOXMPLT-UHFFFAOYSA-N 1 1 344.477 0.118 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC001098532930 733054270 /nfs/dbraw/zinc/05/42/70/733054270.db2.gz KWSKBINNOXMPLT-UHFFFAOYSA-N 1 1 344.477 0.118 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC001098532990 733055894 /nfs/dbraw/zinc/05/58/94/733055894.db2.gz NOBJDCXRUUZRMK-HNNXBMFYSA-N 1 1 344.459 0.823 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC001041840247 782319098 /nfs/dbraw/zinc/31/90/98/782319098.db2.gz WUOHFGKCFMGVMQ-SJLPKXTDSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(F)c[nH]3)C2)C1=O ZINC000970175675 733129261 /nfs/dbraw/zinc/12/92/61/733129261.db2.gz UTDNQANMJZLEFS-IAQYHMDHSA-N 1 1 334.395 0.991 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CNc2cnc(C#N)cn2)C(C)(C)C)C1 ZINC001125828917 738683599 /nfs/dbraw/zinc/68/35/99/738683599.db2.gz YTEQUDAFYXUFFR-KBPBESRZSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CNc2cnc(C#N)cn2)C(C)(C)C)C1 ZINC001125828917 738683605 /nfs/dbraw/zinc/68/36/05/738683605.db2.gz YTEQUDAFYXUFFR-KBPBESRZSA-N 1 1 346.435 0.622 20 30 ECEDMO N#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001112481949 733181531 /nfs/dbraw/zinc/18/15/31/733181531.db2.gz ZEEJRGKZUXDPTG-IUKIHODOSA-N 1 1 344.459 0.591 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCN(C)C3=O)C2)cc1 ZINC000970258895 733267074 /nfs/dbraw/zinc/26/70/74/733267074.db2.gz CNDWKQAKXCWTPY-SUMWQHHRSA-N 1 1 325.412 0.949 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3n[nH]cc3F)C2)C1=O ZINC000970386269 733455001 /nfs/dbraw/zinc/45/50/01/733455001.db2.gz ZJYUEBHYEDQUEV-MFKMUULPSA-N 1 1 335.383 0.386 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000970448304 733546213 /nfs/dbraw/zinc/54/62/13/733546213.db2.gz XXKPEWUKBUKCMH-IMJJTQAJSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001041860508 782355858 /nfs/dbraw/zinc/35/58/58/782355858.db2.gz FJZIHRPWRQJBID-KSSFIOAISA-N 1 1 333.432 0.930 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)cn1 ZINC000970519202 733639028 /nfs/dbraw/zinc/63/90/28/733639028.db2.gz IAELQTWHLXIFEC-OAHLLOKOSA-N 1 1 339.403 0.635 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3nccnc3C)C2)nn1 ZINC000970543979 733660546 /nfs/dbraw/zinc/66/05/46/733660546.db2.gz DUQWIZQFAAAMIT-LBPRGKRZSA-N 1 1 341.419 0.813 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000970653081 733787333 /nfs/dbraw/zinc/78/73/33/733787333.db2.gz GIKRXIBFDUKEKG-OAHLLOKOSA-N 1 1 328.351 0.680 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(=O)[nH]c4ccccc43)[C@H]2C1 ZINC001083206288 733915665 /nfs/dbraw/zinc/91/56/65/733915665.db2.gz RPJFGYFOSZEHMQ-JKSUJKDBSA-N 1 1 342.399 0.840 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(=O)[nH]c4ccccc43)[C@H]2C1 ZINC001083206288 733915667 /nfs/dbraw/zinc/91/56/67/733915667.db2.gz RPJFGYFOSZEHMQ-JKSUJKDBSA-N 1 1 342.399 0.840 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC000970759501 733918990 /nfs/dbraw/zinc/91/89/90/733918990.db2.gz GYAYWFRDDXNIIP-OLZOCXBDSA-N 1 1 344.415 0.278 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC000970764081 733926544 /nfs/dbraw/zinc/92/65/44/733926544.db2.gz QMPJMNZCFCSRFS-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CNc3ccncc3C#N)CC2)C1 ZINC001067477157 734234917 /nfs/dbraw/zinc/23/49/17/734234917.db2.gz RMGAHWJCFJXJEM-CQSZACIVSA-N 1 1 343.431 0.092 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(c2ncccc2C#N)CCO1 ZINC001104318988 734286299 /nfs/dbraw/zinc/28/62/99/734286299.db2.gz XWPNRZYKCHGIKJ-HNNXBMFYSA-N 1 1 331.420 0.615 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2nc(C)ccc2C#N)CCO1 ZINC001104322789 734300849 /nfs/dbraw/zinc/30/08/49/734300849.db2.gz BPACEDYNLICDGO-MRXNPFEDSA-N 1 1 345.447 0.925 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104327920 734342871 /nfs/dbraw/zinc/34/28/71/734342871.db2.gz CEVIUSSJAMUDIF-OAHLLOKOSA-N 1 1 331.420 0.616 20 30 ECEDMO CN1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)C1 ZINC000971270100 734412737 /nfs/dbraw/zinc/41/27/37/734412737.db2.gz DIAGBUSYDQMCGM-MSOLQXFVSA-N 1 1 342.443 0.922 20 30 ECEDMO C=C(Br)CN(C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971271184 734413537 /nfs/dbraw/zinc/41/35/37/734413537.db2.gz KWJYWPAHEANOFH-STQMWFEESA-N 1 1 346.269 0.758 20 30 ECEDMO C=C(Br)CN(C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971271184 734413539 /nfs/dbraw/zinc/41/35/39/734413539.db2.gz KWJYWPAHEANOFH-STQMWFEESA-N 1 1 346.269 0.758 20 30 ECEDMO C[N@@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971290129 734423268 /nfs/dbraw/zinc/42/32/68/734423268.db2.gz XXWYXFAFSZHANB-CYBMUJFWSA-N 1 1 343.387 0.182 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H](C)C3)[C@H]2C1 ZINC001083215968 734453559 /nfs/dbraw/zinc/45/35/59/734453559.db2.gz BFJRQMDCZMXFDN-OWCLPIDISA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H](C)C3)[C@H]2C1 ZINC001083215968 734453563 /nfs/dbraw/zinc/45/35/63/734453563.db2.gz BFJRQMDCZMXFDN-OWCLPIDISA-N 1 1 335.448 0.733 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000971356328 734469580 /nfs/dbraw/zinc/46/95/80/734469580.db2.gz LJCUTQSUUCWIGC-CQSZACIVSA-N 1 1 348.472 0.985 20 30 ECEDMO C[N@@H+](CCN1CCCC1=O)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971377408 734485737 /nfs/dbraw/zinc/48/57/37/734485737.db2.gz ZHBGTCDNGHSWNA-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000973148853 738828251 /nfs/dbraw/zinc/82/82/51/738828251.db2.gz IGLZQCYYGFTVOL-MXAVVETBSA-N 1 1 343.431 0.994 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3ncc[nH]3)C2)C1=O ZINC000971434498 734587754 /nfs/dbraw/zinc/58/77/54/734587754.db2.gz YCZXMILGUWNKGN-CABCVRRESA-N 1 1 345.447 0.662 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078174407 782429066 /nfs/dbraw/zinc/42/90/66/782429066.db2.gz KHLZZQIPUUSKSA-GVDBMIGSSA-N 1 1 328.416 0.171 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@@H+]2CC(N)=O)c[nH]1 ZINC001025218340 738827571 /nfs/dbraw/zinc/82/75/71/738827571.db2.gz KJFMESQEMPSOJX-LSDHHAIUSA-N 1 1 329.404 0.831 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CN=NC1=O ZINC001025224491 738835403 /nfs/dbraw/zinc/83/54/03/738835403.db2.gz RCNIBAPJQHZJEE-HUUCEWRRSA-N 1 1 331.420 0.853 20 30 ECEDMO CC(C)N(CCN(C)c1nccnc1C#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125526839 734780317 /nfs/dbraw/zinc/78/03/17/734780317.db2.gz BMHSXOSARFOUOG-AWEZNQCLSA-N 1 1 330.436 0.973 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O ZINC001078183470 782447012 /nfs/dbraw/zinc/44/70/12/782447012.db2.gz SDZZXSLOQCWVGG-HUUCEWRRSA-N 1 1 345.428 0.486 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nncs2)C1 ZINC000971705097 734966362 /nfs/dbraw/zinc/96/63/62/734966362.db2.gz ZEDMJLWUQZOBBO-KGLIPLIRSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nncs2)C1 ZINC000971705097 734966365 /nfs/dbraw/zinc/96/63/65/734966365.db2.gz ZEDMJLWUQZOBBO-KGLIPLIRSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC001098556118 735075883 /nfs/dbraw/zinc/07/58/83/735075883.db2.gz GVEYVXBWZKFSJT-UHFFFAOYSA-N 1 1 349.475 0.698 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)n2C)C1 ZINC001111586668 735232329 /nfs/dbraw/zinc/23/23/29/735232329.db2.gz HLDVDWZPQRFWFR-KXBFYZLASA-N 1 1 342.443 0.667 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)n2C)C1 ZINC001111586668 735232333 /nfs/dbraw/zinc/23/23/33/735232333.db2.gz HLDVDWZPQRFWFR-KXBFYZLASA-N 1 1 342.443 0.667 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC000972047447 735562836 /nfs/dbraw/zinc/56/28/36/735562836.db2.gz BVUROAPRNHFTMS-LBPRGKRZSA-N 1 1 330.396 0.416 20 30 ECEDMO CC1CCN(CC(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001167522968 735564965 /nfs/dbraw/zinc/56/49/65/735564965.db2.gz JJSNUDZKMHRURX-UHFFFAOYSA-N 1 1 349.479 0.234 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000972072641 735612581 /nfs/dbraw/zinc/61/25/81/735612581.db2.gz BYILAQOXHBUPPE-BRWVUGGUSA-N 1 1 329.444 0.943 20 30 ECEDMO CN1C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)NC1=O ZINC000972084238 735625023 /nfs/dbraw/zinc/62/50/23/735625023.db2.gz BDKGLVTXZDIZIL-BXUZGUMPSA-N 1 1 347.444 0.676 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1)C1CCC1 ZINC000972089424 735630331 /nfs/dbraw/zinc/63/03/31/735630331.db2.gz NUEWOEIGFNPLOW-NVXWUHKLSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](CC)N2CCCC2=O)CC1 ZINC001098564049 735667723 /nfs/dbraw/zinc/66/77/23/735667723.db2.gz KTLQMBNVIMMEOP-INIZCTEOSA-N 1 1 335.448 0.306 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)[C@@H](n2ccnn2)C1 ZINC001069988203 790282675 /nfs/dbraw/zinc/28/26/75/790282675.db2.gz MMPYUHJZYVCYHE-KFWWJZLASA-N 1 1 346.435 0.112 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001041960071 782496896 /nfs/dbraw/zinc/49/68/96/782496896.db2.gz GTTHGPPQZSYWJI-HUUCEWRRSA-N 1 1 335.448 0.517 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 ZINC000972261143 735856481 /nfs/dbraw/zinc/85/64/81/735856481.db2.gz HGRNJJNGIWLKLV-KRWDZBQOSA-N 1 1 333.436 0.938 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001041962937 782501292 /nfs/dbraw/zinc/50/12/92/782501292.db2.gz BLZZVBFFPFZXMK-CYBMUJFWSA-N 1 1 332.404 0.416 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nccnc3N)C2)C1 ZINC000972306825 735919095 /nfs/dbraw/zinc/91/90/95/735919095.db2.gz AGBRBSITRDFELU-QGZVFWFLSA-N 1 1 331.420 0.942 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972344264 735974685 /nfs/dbraw/zinc/97/46/85/735974685.db2.gz ZDTHDMQMQMSNGP-KFWWJZLASA-N 1 1 344.390 0.851 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000972349582 735986459 /nfs/dbraw/zinc/98/64/59/735986459.db2.gz ZUXIYLNYUAAWCA-INIZCTEOSA-N 1 1 335.408 0.253 20 30 ECEDMO COC[C@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972352577 735993153 /nfs/dbraw/zinc/99/31/53/735993153.db2.gz NQMPVCLZJXWIPC-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972352577 735993156 /nfs/dbraw/zinc/99/31/56/735993156.db2.gz NQMPVCLZJXWIPC-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCCC2)C1 ZINC000972373497 736037698 /nfs/dbraw/zinc/03/76/98/736037698.db2.gz MBRFOXHIBFWCEZ-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCCC2)C1 ZINC000972373497 736037702 /nfs/dbraw/zinc/03/77/02/736037702.db2.gz MBRFOXHIBFWCEZ-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC000972384166 736052539 /nfs/dbraw/zinc/05/25/39/736052539.db2.gz FURBWUXRYJQKCF-CHWSQXEVSA-N 1 1 338.843 0.911 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC000972384166 736052541 /nfs/dbraw/zinc/05/25/41/736052541.db2.gz FURBWUXRYJQKCF-CHWSQXEVSA-N 1 1 338.843 0.911 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccnn3C)C2)C1 ZINC000972386237 736055715 /nfs/dbraw/zinc/05/57/15/736055715.db2.gz ALOKIYHWJBQOQG-MAUKXSAKSA-N 1 1 330.432 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccnn3C)C2)C1 ZINC000972386237 736055721 /nfs/dbraw/zinc/05/57/21/736055721.db2.gz ALOKIYHWJBQOQG-MAUKXSAKSA-N 1 1 330.432 0.850 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 ZINC000972386923 736058100 /nfs/dbraw/zinc/05/81/00/736058100.db2.gz IOOSFSXXQIDXPA-RKVPGOIHSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnon2)nn1 ZINC001087223628 736079232 /nfs/dbraw/zinc/07/92/32/736079232.db2.gz KPPYGXPXLFDZCL-OCCSQVGLSA-N 1 1 345.407 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn4ncccc34)C2)C1 ZINC000972414023 736150861 /nfs/dbraw/zinc/15/08/61/736150861.db2.gz SGEPXWWGRQXOEJ-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn4ncccc34)C2)C1 ZINC000972414023 736150862 /nfs/dbraw/zinc/15/08/62/736150862.db2.gz SGEPXWWGRQXOEJ-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccn(C)c3=O)[C@H]2C1 ZINC001083252051 736165961 /nfs/dbraw/zinc/16/59/61/736165961.db2.gz UWVBIBIBEBONBN-JKSUJKDBSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972422126 736166666 /nfs/dbraw/zinc/16/66/66/736166666.db2.gz NNQMLRFSFBCIEG-GOSISDBHSA-N 1 1 346.431 0.906 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972430150 736182471 /nfs/dbraw/zinc/18/24/71/736182471.db2.gz AUBNTEDQPWOFEX-QZTJIDSGSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972430150 736182473 /nfs/dbraw/zinc/18/24/73/736182473.db2.gz AUBNTEDQPWOFEX-QZTJIDSGSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435318 736189803 /nfs/dbraw/zinc/18/98/03/736189803.db2.gz NHOCAXXEAINMKF-SFHVURJKSA-N 1 1 344.415 0.354 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435318 736189807 /nfs/dbraw/zinc/18/98/07/736189807.db2.gz NHOCAXXEAINMKF-SFHVURJKSA-N 1 1 344.415 0.354 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC000972449509 736228991 /nfs/dbraw/zinc/22/89/91/736228991.db2.gz LHBRYJJFFGITIT-QGZVFWFLSA-N 1 1 336.436 0.281 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC000972449509 736228996 /nfs/dbraw/zinc/22/89/96/736228996.db2.gz LHBRYJJFFGITIT-QGZVFWFLSA-N 1 1 336.436 0.281 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972454097 736238150 /nfs/dbraw/zinc/23/81/50/736238150.db2.gz UMCSCBWJPQZSJR-SFHVURJKSA-N 1 1 346.431 0.617 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972454097 736238153 /nfs/dbraw/zinc/23/81/53/736238153.db2.gz UMCSCBWJPQZSJR-SFHVURJKSA-N 1 1 346.431 0.617 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972459680 736254623 /nfs/dbraw/zinc/25/46/23/736254623.db2.gz ZMTYCWLWDQKKOC-KRWDZBQOSA-N 1 1 333.388 0.872 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)nn3C)C2)C1 ZINC000972463981 736263268 /nfs/dbraw/zinc/26/32/68/736263268.db2.gz ZQTVRNTWJSXXGP-SFHVURJKSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)nn3C)C2)C1 ZINC000972463981 736263271 /nfs/dbraw/zinc/26/32/71/736263271.db2.gz ZQTVRNTWJSXXGP-SFHVURJKSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001022990013 736365785 /nfs/dbraw/zinc/36/57/85/736365785.db2.gz YIGVUYTVYGJMSM-BETUJISGSA-N 1 1 341.371 0.836 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)nc1 ZINC001022990767 736370125 /nfs/dbraw/zinc/37/01/25/736370125.db2.gz GMLDWLGJTDWSJW-BETUJISGSA-N 1 1 340.387 0.563 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCN(CC)C3=O)C2)nn1 ZINC000972507302 736464097 /nfs/dbraw/zinc/46/40/97/736464097.db2.gz SEBIIOYPDHANQW-HIFRSBDPSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972518429 736539140 /nfs/dbraw/zinc/53/91/40/736539140.db2.gz IVUQLKFBDJVQCD-WMZOPIPTSA-N 1 1 337.464 0.585 20 30 ECEDMO C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972518429 736539143 /nfs/dbraw/zinc/53/91/43/736539143.db2.gz IVUQLKFBDJVQCD-WMZOPIPTSA-N 1 1 337.464 0.585 20 30 ECEDMO CC(C)N(CCN(C)c1cncc(C#N)n1)C(=O)Cc1c[nH]cn1 ZINC001125686875 736632224 /nfs/dbraw/zinc/63/22/24/736632224.db2.gz MPGTTWCCBXDEOK-UHFFFAOYSA-N 1 1 327.392 0.987 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023365682 736739206 /nfs/dbraw/zinc/73/92/06/736739206.db2.gz JAOILBQLYQYUOP-CABCVRRESA-N 1 1 343.431 0.614 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001023400417 736777393 /nfs/dbraw/zinc/77/73/93/736777393.db2.gz LYLVQNRLWKPFMT-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001023404841 736788531 /nfs/dbraw/zinc/78/85/31/736788531.db2.gz XFYBDMRJGUWBNF-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023449540 736848177 /nfs/dbraw/zinc/84/81/77/736848177.db2.gz RVWCWNIVPCKICN-KGLIPLIRSA-N 1 1 331.420 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001023502919 736928047 /nfs/dbraw/zinc/92/80/47/736928047.db2.gz KAWIXEXUZBGLJI-KURKYZTESA-N 1 1 349.475 0.328 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@](C)(NC(C)=O)C(C)C)CC1 ZINC001098577516 736944518 /nfs/dbraw/zinc/94/45/18/736944518.db2.gz LCGKSONRFYUBRB-GOSISDBHSA-N 1 1 337.464 0.456 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972595878 737032463 /nfs/dbraw/zinc/03/24/63/737032463.db2.gz GYDTXTFHWREAQD-BQFCYCMXSA-N 1 1 338.448 0.653 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972595878 737032468 /nfs/dbraw/zinc/03/24/68/737032468.db2.gz GYDTXTFHWREAQD-BQFCYCMXSA-N 1 1 338.448 0.653 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001023591607 737049565 /nfs/dbraw/zinc/04/95/65/737049565.db2.gz FDCIPOSGTOHVCN-UTUOFQBUSA-N 1 1 344.253 0.845 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001023591607 737049570 /nfs/dbraw/zinc/04/95/70/737049570.db2.gz FDCIPOSGTOHVCN-UTUOFQBUSA-N 1 1 344.253 0.845 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)C1 ZINC001023599182 737058100 /nfs/dbraw/zinc/05/81/00/737058100.db2.gz CFNNBQHCAZVBIS-IMJJTQAJSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cn(C)nn2)C1 ZINC001023599182 737058103 /nfs/dbraw/zinc/05/81/03/737058103.db2.gz CFNNBQHCAZVBIS-IMJJTQAJSA-N 1 1 333.436 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)COC(C)C)C1 ZINC001059847388 751382170 /nfs/dbraw/zinc/38/21/70/751382170.db2.gz QNIGVQDWEDRVGP-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)COC(C)C)C1 ZINC001059847388 751382174 /nfs/dbraw/zinc/38/21/74/751382174.db2.gz QNIGVQDWEDRVGP-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000987951712 751383036 /nfs/dbraw/zinc/38/30/36/751383036.db2.gz SSVGZYVMMALYFG-CVEARBPZSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000987951712 751383040 /nfs/dbraw/zinc/38/30/40/751383040.db2.gz SSVGZYVMMALYFG-CVEARBPZSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C(F)F)C1 ZINC001059847399 751383109 /nfs/dbraw/zinc/38/31/09/751383109.db2.gz QSEPVDJXNGGQTB-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C(F)F)C1 ZINC001059847399 751383116 /nfs/dbraw/zinc/38/31/16/751383116.db2.gz QSEPVDJXNGGQTB-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001023625334 737107219 /nfs/dbraw/zinc/10/72/19/737107219.db2.gz LPLZPFCCEIVQAI-ZDUSSCGKSA-N 1 1 334.420 0.102 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cccnn3)C2)C1=O ZINC001023667889 737167015 /nfs/dbraw/zinc/16/70/15/737167015.db2.gz LCFQAOVPOKHQDJ-GOEBONIOSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001023674222 737177804 /nfs/dbraw/zinc/17/78/04/737177804.db2.gz MZDMJGCWHSYFIX-GJZGRUSLSA-N 1 1 331.420 0.390 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001023692689 737207265 /nfs/dbraw/zinc/20/72/65/737207265.db2.gz HKWDBVBQNIJEIH-LSDHHAIUSA-N 1 1 331.420 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001023692854 737207338 /nfs/dbraw/zinc/20/73/38/737207338.db2.gz MMKRBSFMRSHDPW-AWEZNQCLSA-N 1 1 331.420 0.705 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001023701089 737211264 /nfs/dbraw/zinc/21/12/64/737211264.db2.gz LOCLDHWVZCDBDA-CQSZACIVSA-N 1 1 326.404 0.898 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972657256 737265954 /nfs/dbraw/zinc/26/59/54/737265954.db2.gz YVGAJDQSZPAVFG-QGZVFWFLSA-N 1 1 334.420 0.922 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O ZINC001023746957 737289843 /nfs/dbraw/zinc/28/98/43/737289843.db2.gz QZZQGHRIENCUIA-HUUCEWRRSA-N 1 1 344.415 0.108 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccn(C)n3)C2)C1=O ZINC001023748062 737293770 /nfs/dbraw/zinc/29/37/70/737293770.db2.gz OADXJDRGTIKTSZ-GOEBONIOSA-N 1 1 345.447 0.649 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001023758296 737312873 /nfs/dbraw/zinc/31/28/73/737312873.db2.gz UZDIJUYCHPZDCV-CABCVRRESA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001023758296 737312875 /nfs/dbraw/zinc/31/28/75/737312875.db2.gz UZDIJUYCHPZDCV-CABCVRRESA-N 1 1 343.855 0.814 20 30 ECEDMO CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972683731 737373299 /nfs/dbraw/zinc/37/32/99/737373299.db2.gz OVYPBTUMLUROPT-SJLPKXTDSA-N 1 1 335.448 0.034 20 30 ECEDMO CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972683731 737373303 /nfs/dbraw/zinc/37/33/03/737373303.db2.gz OVYPBTUMLUROPT-SJLPKXTDSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972688828 737385735 /nfs/dbraw/zinc/38/57/35/737385735.db2.gz QQZOSXIWICGRSO-YJBOKZPZSA-N 1 1 343.431 0.167 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972688828 737385740 /nfs/dbraw/zinc/38/57/40/737385740.db2.gz QQZOSXIWICGRSO-YJBOKZPZSA-N 1 1 343.431 0.167 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972699539 737442670 /nfs/dbraw/zinc/44/26/70/737442670.db2.gz GLTXFBGCMVUCIC-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972699539 737442671 /nfs/dbraw/zinc/44/26/71/737442671.db2.gz GLTXFBGCMVUCIC-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972700567 737455373 /nfs/dbraw/zinc/45/53/73/737455373.db2.gz ZFTQTQGHIZMOHK-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC000972704425 737503338 /nfs/dbraw/zinc/50/33/38/737503338.db2.gz IHUVPAYPXCRWBL-RDTXWAMCSA-N 1 1 349.431 0.309 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001069993985 790289017 /nfs/dbraw/zinc/28/90/17/790289017.db2.gz YRQFVPJLKNPURG-KFWWJZLASA-N 1 1 346.435 0.207 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001069993985 790289024 /nfs/dbraw/zinc/28/90/24/790289024.db2.gz YRQFVPJLKNPURG-KFWWJZLASA-N 1 1 346.435 0.207 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCCNC3=O)C2)cn1 ZINC000972756933 737598137 /nfs/dbraw/zinc/59/81/37/737598137.db2.gz QAXKDIRDHQGEAA-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCCC[NH2+]Cc1csnn1 ZINC001167685890 737759694 /nfs/dbraw/zinc/75/96/94/737759694.db2.gz ZERUNXMQURXIPV-ZDUSSCGKSA-N 1 1 325.438 0.605 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3ccon3)C(C)(C)C2)C1=O ZINC000972836867 737760020 /nfs/dbraw/zinc/76/00/20/737760020.db2.gz IWFOBJYYWRTSEV-KBPBESRZSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3ccon3)C(C)(C)C2)C1=O ZINC000972836867 737760022 /nfs/dbraw/zinc/76/00/22/737760022.db2.gz IWFOBJYYWRTSEV-KBPBESRZSA-N 1 1 332.404 0.902 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]2CCC[N@H+](CC(N)=O)[C@H]21 ZINC001087278844 738075430 /nfs/dbraw/zinc/07/54/30/738075430.db2.gz NNDTZOSEDZIYAS-BPLDGKMQSA-N 1 1 329.404 0.590 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]2CCC[N@@H+](CC(N)=O)[C@H]21 ZINC001087278844 738075435 /nfs/dbraw/zinc/07/54/35/738075435.db2.gz NNDTZOSEDZIYAS-BPLDGKMQSA-N 1 1 329.404 0.590 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)[C@@H]21 ZINC001087279966 738079103 /nfs/dbraw/zinc/07/91/03/738079103.db2.gz HISUNFVTKHGAQW-DAXOMENPSA-N 1 1 343.431 0.851 20 30 ECEDMO CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560683 738107416 /nfs/dbraw/zinc/10/74/16/738107416.db2.gz HXLMCRKDGFNCFY-VZDIDWBNSA-N 1 1 331.460 0.844 20 30 ECEDMO CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560683 738107418 /nfs/dbraw/zinc/10/74/18/738107418.db2.gz HXLMCRKDGFNCFY-VZDIDWBNSA-N 1 1 331.460 0.844 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(CCO)CCNc1nc(C)ccc1C#N ZINC001111492706 738140124 /nfs/dbraw/zinc/14/01/24/738140124.db2.gz MKNGVXKKRSRDJF-UHFFFAOYSA-N 1 1 333.436 0.836 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@H]21 ZINC001087299630 738163634 /nfs/dbraw/zinc/16/36/34/738163634.db2.gz ZQRKZSOIYOMLQM-OLMNPRSZSA-N 1 1 346.475 0.047 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001024621056 738178292 /nfs/dbraw/zinc/17/82/92/738178292.db2.gz IVZGRBFAPKFVEV-ZDUSSCGKSA-N 1 1 326.404 0.971 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC(N)=O)[C@H]3C2(C)C)c1 ZINC001087303795 738190483 /nfs/dbraw/zinc/19/04/83/738190483.db2.gz RTTQIRGJSAGXDY-USXIJHARSA-N 1 1 340.427 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CC(N)=O)[C@H]3C2(C)C)c1 ZINC001087303795 738190486 /nfs/dbraw/zinc/19/04/86/738190486.db2.gz RTTQIRGJSAGXDY-USXIJHARSA-N 1 1 340.427 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N2CCC2)c1 ZINC001024644603 738197167 /nfs/dbraw/zinc/19/71/67/738197167.db2.gz UGWGVYXEWQEERZ-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N2CCC2)c1 ZINC001024644603 738197170 /nfs/dbraw/zinc/19/71/70/738197170.db2.gz UGWGVYXEWQEERZ-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001024650942 738199837 /nfs/dbraw/zinc/19/98/37/738199837.db2.gz RFNNRCQTDXJQOK-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001024710082 738238215 /nfs/dbraw/zinc/23/82/15/738238215.db2.gz QAMQRKHYMSODMU-CQSZACIVSA-N 1 1 341.415 0.939 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ncccn2)C1=O ZINC001024724579 738251426 /nfs/dbraw/zinc/25/14/26/738251426.db2.gz XOBXHYRTHSDJDN-CABCVRRESA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ncccn2)C1=O ZINC001024724579 738251429 /nfs/dbraw/zinc/25/14/29/738251429.db2.gz XOBXHYRTHSDJDN-CABCVRRESA-N 1 1 343.431 0.848 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001024736002 738258397 /nfs/dbraw/zinc/25/83/97/738258397.db2.gz YZVCNGJHFGXTHD-LSDHHAIUSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001024736002 738258398 /nfs/dbraw/zinc/25/83/98/738258398.db2.gz YZVCNGJHFGXTHD-LSDHHAIUSA-N 1 1 331.420 0.532 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC(N)=O)[C@H]3C2(C)C)nc1 ZINC001087315192 738263272 /nfs/dbraw/zinc/26/32/72/738263272.db2.gz XPCISTNPTHHQFC-KBRIMQKVSA-N 1 1 340.427 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CC(N)=O)[C@H]3C2(C)C)nc1 ZINC001087315192 738263277 /nfs/dbraw/zinc/26/32/77/738263277.db2.gz XPCISTNPTHHQFC-KBRIMQKVSA-N 1 1 340.427 0.767 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001087316590 738272356 /nfs/dbraw/zinc/27/23/56/738272356.db2.gz UUDUPTDNTXHTFQ-KWCYVHTRSA-N 1 1 344.415 0.338 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)csc3=O)[C@H]2C1 ZINC001083272130 738281511 /nfs/dbraw/zinc/28/15/11/738281511.db2.gz VIZGMINDZSFDTQ-UONOGXRCSA-N 1 1 335.429 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001087318956 738286334 /nfs/dbraw/zinc/28/63/34/738286334.db2.gz GRTNTDZEABERTI-VHDGCEQUSA-N 1 1 328.416 0.966 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2snnc2C)C1 ZINC000972955765 738353168 /nfs/dbraw/zinc/35/31/68/738353168.db2.gz QDXYYXWLFWZQTM-AVGNSLFASA-N 1 1 347.444 0.321 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2snnc2C)C1 ZINC000972955765 738353172 /nfs/dbraw/zinc/35/31/72/738353172.db2.gz QDXYYXWLFWZQTM-AVGNSLFASA-N 1 1 347.444 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CCC(O)CC2)C1 ZINC000973217858 738924957 /nfs/dbraw/zinc/92/49/57/738924957.db2.gz GOZDJDXLFFNBSX-QDZBGDLPSA-N 1 1 347.459 0.399 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CCC(O)CC2)C1 ZINC000973217858 738924960 /nfs/dbraw/zinc/92/49/60/738924960.db2.gz GOZDJDXLFFNBSX-QDZBGDLPSA-N 1 1 347.459 0.399 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025282163 739004783 /nfs/dbraw/zinc/00/47/83/739004783.db2.gz ZUWAILJVYBAKAJ-GJZGRUSLSA-N 1 1 346.431 0.407 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ncccc2C#N)C1 ZINC001104579108 739012042 /nfs/dbraw/zinc/01/20/42/739012042.db2.gz KIIZPJBNCBREBS-DZGCQCFKSA-N 1 1 331.420 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ncccc2C#N)C1 ZINC001104579108 739012045 /nfs/dbraw/zinc/01/20/45/739012045.db2.gz KIIZPJBNCBREBS-DZGCQCFKSA-N 1 1 331.420 0.933 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025295892 739015968 /nfs/dbraw/zinc/01/59/68/739015968.db2.gz HPGQLQAYEHYGOK-CABCVRRESA-N 1 1 348.447 0.960 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001111999595 739080608 /nfs/dbraw/zinc/08/06/08/739080608.db2.gz QOLXBZDHVFDYNL-HOCLYGCPSA-N 1 1 341.477 0.262 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000973333698 739107411 /nfs/dbraw/zinc/10/74/11/739107411.db2.gz LAXBMBCHQVSCIP-KKUMJFAQSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000973333698 739107412 /nfs/dbraw/zinc/10/74/12/739107412.db2.gz LAXBMBCHQVSCIP-KKUMJFAQSA-N 1 1 335.448 0.827 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001083279900 739111906 /nfs/dbraw/zinc/11/19/06/739111906.db2.gz UOINLQGLFXOLNJ-LSDHHAIUSA-N 1 1 343.431 0.170 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000973410367 739223235 /nfs/dbraw/zinc/22/32/35/739223235.db2.gz HWCJKHXHUJGTFG-KKUMJFAQSA-N 1 1 342.399 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000973410367 739223240 /nfs/dbraw/zinc/22/32/40/739223240.db2.gz HWCJKHXHUJGTFG-KKUMJFAQSA-N 1 1 342.399 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2occc2C)C1 ZINC000973410867 739224913 /nfs/dbraw/zinc/22/49/13/739224913.db2.gz ZXQCWZHBHJQPSJ-JYJNAYRXSA-N 1 1 343.427 0.992 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2occc2C)C1 ZINC000973410867 739224918 /nfs/dbraw/zinc/22/49/18/739224918.db2.gz ZXQCWZHBHJQPSJ-JYJNAYRXSA-N 1 1 343.427 0.992 20 30 ECEDMO Cc1cc(NC[C@@H](C)N(C)C(=O)CC[NH+]2CCOCC2)c(C#N)cn1 ZINC001104623366 739257322 /nfs/dbraw/zinc/25/73/22/739257322.db2.gz ZQHRVGAJSDPHFQ-OAHLLOKOSA-N 1 1 345.447 0.665 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001006481628 751432385 /nfs/dbraw/zinc/43/23/85/751432385.db2.gz CYUPCBUBBGTIHH-LLVKDONJSA-N 1 1 327.812 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cnco2)C1 ZINC001006489749 751442605 /nfs/dbraw/zinc/44/26/05/751442605.db2.gz STBNSPCVKLOFHH-OCCSQVGLSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cnco2)C1 ZINC001006489749 751442611 /nfs/dbraw/zinc/44/26/11/751442611.db2.gz STBNSPCVKLOFHH-OCCSQVGLSA-N 1 1 330.388 0.349 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CCN(c2ccnc(C#N)n2)CC3)C1 ZINC001058636294 739540043 /nfs/dbraw/zinc/54/00/43/739540043.db2.gz CRPTUYCOFAVPIF-ZIAGYGMSSA-N 1 1 340.431 0.775 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001028197277 751455413 /nfs/dbraw/zinc/45/54/13/751455413.db2.gz DEGBWNRWRRDBGD-VYDXJSESSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001028197277 751455416 /nfs/dbraw/zinc/45/54/16/751455416.db2.gz DEGBWNRWRRDBGD-VYDXJSESSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC23CCN(c2cnc(C#N)cn2)CC3)C1 ZINC001058636643 739548650 /nfs/dbraw/zinc/54/86/50/739548650.db2.gz OLWTVYVRQVBOSZ-DZGCQCFKSA-N 1 1 340.431 0.775 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001025457373 739561634 /nfs/dbraw/zinc/56/16/34/739561634.db2.gz BQUXATWLYWBUJG-NWDGAFQWSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001025548554 739704694 /nfs/dbraw/zinc/70/46/94/739704694.db2.gz JIBYFYBSVDKJBY-OWCLPIDISA-N 1 1 345.443 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001025548554 739704697 /nfs/dbraw/zinc/70/46/97/739704697.db2.gz JIBYFYBSVDKJBY-OWCLPIDISA-N 1 1 345.443 0.128 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2O)C1 ZINC001025546121 739707339 /nfs/dbraw/zinc/70/73/39/739707339.db2.gz WKMXFWYYELSLIR-ZIAGYGMSSA-N 1 1 332.404 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001025593786 739757911 /nfs/dbraw/zinc/75/79/11/739757911.db2.gz CQGYSZPXMNCLMX-UKRRQHHQSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCCN(CC(=O)NC)C2)CC1 ZINC001025629061 739793254 /nfs/dbraw/zinc/79/32/54/739793254.db2.gz ZOYNEQAZXNCWMK-NVXWUHKLSA-N 1 1 348.491 0.294 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c(OC)ncnc2OC)C1 ZINC001025636637 739804698 /nfs/dbraw/zinc/80/46/98/739804698.db2.gz AUCJZUDEGNLWTF-CHWSQXEVSA-N 1 1 332.404 0.957 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001025686342 739862124 /nfs/dbraw/zinc/86/21/24/739862124.db2.gz BWGWBPBGKHJZNY-NWANDNLSSA-N 1 1 335.448 0.372 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001025686683 739872936 /nfs/dbraw/zinc/87/29/36/739872936.db2.gz GZVXXPHFUHAYKO-RBSFLKMASA-N 1 1 337.464 0.618 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001025686684 739872964 /nfs/dbraw/zinc/87/29/64/739872964.db2.gz GZVXXPHFUHAYKO-RRFJBIMHSA-N 1 1 337.464 0.618 20 30 ECEDMO COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001025704784 739881820 /nfs/dbraw/zinc/88/18/20/739881820.db2.gz CNKOUYABFWZJCT-ZSAUSMIDSA-N 1 1 345.424 0.975 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N ZINC001058658809 739901526 /nfs/dbraw/zinc/90/15/26/739901526.db2.gz MAWSIYXUSRUOKS-GJZGRUSLSA-N 1 1 338.452 0.346 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3ncccn3)C[C@H]21 ZINC001025814125 739997082 /nfs/dbraw/zinc/99/70/82/739997082.db2.gz ZMRABURGBGNZJR-NRKLIOEPSA-N 1 1 339.443 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3ncccn3)C[C@H]21 ZINC001025814125 739997085 /nfs/dbraw/zinc/99/70/85/739997085.db2.gz ZMRABURGBGNZJR-NRKLIOEPSA-N 1 1 339.443 0.682 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)C1 ZINC001070006066 790305908 /nfs/dbraw/zinc/30/59/08/790305908.db2.gz BGZBUDJNTCEDKA-XHSDSOJGSA-N 1 1 345.451 0.265 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)CCO2 ZINC001068464006 790321553 /nfs/dbraw/zinc/32/15/53/790321553.db2.gz UFKGQUADFPKPAG-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982046553 751531295 /nfs/dbraw/zinc/53/12/95/751531295.db2.gz NFPAXNUYKHDPAB-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982046553 751531301 /nfs/dbraw/zinc/53/13/01/751531301.db2.gz NFPAXNUYKHDPAB-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cn3nccc3C)CC2)C1=O ZINC000982050723 751531649 /nfs/dbraw/zinc/53/16/49/751531649.db2.gz FFFCDRMVBWHYOL-MRXNPFEDSA-N 1 1 345.447 0.513 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cn3nccc3C)CC2)C1=O ZINC000982050723 751531652 /nfs/dbraw/zinc/53/16/52/751531652.db2.gz FFFCDRMVBWHYOL-MRXNPFEDSA-N 1 1 345.447 0.513 20 30 ECEDMO CN(C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cnc(C#N)cn1 ZINC001058691010 740486778 /nfs/dbraw/zinc/48/67/78/740486778.db2.gz ZXMPSDNDJVNZHI-CABCVRRESA-N 1 1 342.447 0.975 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccncc2C#N)C1 ZINC001104794158 740514239 /nfs/dbraw/zinc/51/42/39/740514239.db2.gz AOAGCHNROWTRSL-RHSMWYFYSA-N 1 1 345.447 0.743 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccncc2C#N)C1 ZINC001104794158 740514243 /nfs/dbraw/zinc/51/42/43/740514243.db2.gz AOAGCHNROWTRSL-RHSMWYFYSA-N 1 1 345.447 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC000973891317 740547532 /nfs/dbraw/zinc/54/75/32/740547532.db2.gz GRWBWQPGEGRADV-BBWFWOEESA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC000973891317 740547535 /nfs/dbraw/zinc/54/75/35/740547535.db2.gz GRWBWQPGEGRADV-BBWFWOEESA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnn(C)c2C)C1 ZINC000973892585 740554439 /nfs/dbraw/zinc/55/44/39/740554439.db2.gz XBDXIMDVBGHQFY-LZWOXQAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnn(C)c2C)C1 ZINC000973892585 740554440 /nfs/dbraw/zinc/55/44/40/740554440.db2.gz XBDXIMDVBGHQFY-LZWOXQAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000973956803 740658736 /nfs/dbraw/zinc/65/87/36/740658736.db2.gz CWEPQEQXBORLFD-IJEWVQPXSA-N 1 1 326.400 0.534 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)c4cnon4)C3)C2)C1=O ZINC000982076526 751569256 /nfs/dbraw/zinc/56/92/56/751569256.db2.gz GCGSZRBMEIZYQI-CQSZACIVSA-N 1 1 345.403 0.395 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ocnc2C)C1 ZINC000973996970 740750191 /nfs/dbraw/zinc/75/01/91/740750191.db2.gz VOXXBOPYAZUHBF-MJBXVCDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ocnc2C)C1 ZINC000973996970 740750193 /nfs/dbraw/zinc/75/01/93/740750193.db2.gz VOXXBOPYAZUHBF-MJBXVCDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2coc(C)n2)C1 ZINC000974063257 740870894 /nfs/dbraw/zinc/87/08/94/740870894.db2.gz MSHDHWPZZSGGIY-GUTXKFCHSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2coc(C)n2)C1 ZINC000974063257 740870897 /nfs/dbraw/zinc/87/08/97/740870897.db2.gz MSHDHWPZZSGGIY-GUTXKFCHSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1noc(C(C)C)n1 ZINC001038365044 740960910 /nfs/dbraw/zinc/96/09/10/740960910.db2.gz AQDOPKHZGJJOLJ-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1noc(C(C)C)n1 ZINC001038365044 740960912 /nfs/dbraw/zinc/96/09/12/740960912.db2.gz AQDOPKHZGJJOLJ-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C(F)(F)F ZINC001112064945 740973076 /nfs/dbraw/zinc/97/30/76/740973076.db2.gz YKQNCANIGJNSOB-QJPTWQEYSA-N 1 1 349.353 0.304 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000982110258 751602459 /nfs/dbraw/zinc/60/24/59/751602459.db2.gz KIQSWCMQZSUFLS-OAHLLOKOSA-N 1 1 332.448 0.867 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C)nc1 ZINC001020440377 751612094 /nfs/dbraw/zinc/61/20/94/751612094.db2.gz VALOFRXNMQSCJG-BPUTZDHNSA-N 1 1 340.427 0.734 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)[C@@H](C)C1 ZINC001105046062 741237917 /nfs/dbraw/zinc/23/79/17/741237917.db2.gz JXBJKOPAVOUVOV-KBPBESRZSA-N 1 1 330.436 0.759 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCCC(=O)NC)C2)nn1 ZINC001105216367 741488333 /nfs/dbraw/zinc/48/83/33/741488333.db2.gz SWNPGXYOSLELNE-UHFFFAOYSA-N 1 1 334.424 0.243 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C#CC(C)C)C2)nn1 ZINC001105238051 741524402 /nfs/dbraw/zinc/52/44/02/741524402.db2.gz IFJGDNKAWCVBLS-UHFFFAOYSA-N 1 1 331.420 0.613 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256648 741571910 /nfs/dbraw/zinc/57/19/10/741571910.db2.gz LZDCAYCFMLTHTC-INIZCTEOSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(n2cc(C[NH2+]CCOC)nn2)C1 ZINC001105262331 741593914 /nfs/dbraw/zinc/59/39/14/741593914.db2.gz WESFTXONYMAJRT-UHFFFAOYSA-N 1 1 344.419 0.699 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC000982148729 751651841 /nfs/dbraw/zinc/65/18/41/751651841.db2.gz TYFPAWCXEMCCMM-UHFFFAOYSA-N 1 1 326.404 0.777 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCNC(=O)CC3)C2)nn1 ZINC001105289434 741653028 /nfs/dbraw/zinc/65/30/28/741653028.db2.gz DDYMCCOZFPSRNF-CYBMUJFWSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCn3ccnc3)C2)nn1 ZINC001105294943 741666508 /nfs/dbraw/zinc/66/65/08/741666508.db2.gz OZFZJDFMFJDWQR-UHFFFAOYSA-N 1 1 329.408 0.614 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)nn1 ZINC001105297081 741674198 /nfs/dbraw/zinc/67/41/98/741674198.db2.gz GVDPEEXGNJDQLV-UHFFFAOYSA-N 1 1 344.463 0.649 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001058730765 741757140 /nfs/dbraw/zinc/75/71/40/741757140.db2.gz HVDYTUTWBJTJBY-QGZVFWFLSA-N 1 1 336.436 0.731 20 30 ECEDMO CC#CCNCc1cn([C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)nn1 ZINC001098622269 741798720 /nfs/dbraw/zinc/79/87/20/741798720.db2.gz FAGKUTLTWYJJKR-CQSZACIVSA-N 1 1 327.392 0.510 20 30 ECEDMO C=C(C)CCNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327129 741811723 /nfs/dbraw/zinc/81/17/23/741811723.db2.gz TWUWLHPAPFNBFM-WMLDXEAASA-N 1 1 346.479 0.915 20 30 ECEDMO C=C(C)CCNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327129 741811725 /nfs/dbraw/zinc/81/17/25/741811725.db2.gz TWUWLHPAPFNBFM-WMLDXEAASA-N 1 1 346.479 0.915 20 30 ECEDMO C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)CCc3c[nH]nn3)C2)nn1 ZINC001105329877 741831871 /nfs/dbraw/zinc/83/18/71/741831871.db2.gz CBKMPOLICALFDW-UHFFFAOYSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cnnn3C)C(C)(C)C2)C1=O ZINC000974545044 741877450 /nfs/dbraw/zinc/87/74/50/741877450.db2.gz DKSUCZYURLTDOS-TZMCWYRMSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cnnn3C)C(C)(C)C2)C1=O ZINC000974545044 741877456 /nfs/dbraw/zinc/87/74/56/741877456.db2.gz DKSUCZYURLTDOS-TZMCWYRMSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000974650010 741968641 /nfs/dbraw/zinc/96/86/41/741968641.db2.gz AOHDNUQEYUVXNR-ZDUSSCGKSA-N 1 1 329.466 0.425 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2nc3ncc(C)cn3n2)C(C)(C)C1 ZINC000974720289 742106286 /nfs/dbraw/zinc/10/62/86/742106286.db2.gz WUYUSPQZZIWSDB-ZDUSSCGKSA-N 1 1 326.404 0.896 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2nc3ncc(C)cn3n2)C(C)(C)C1 ZINC000974720289 742106288 /nfs/dbraw/zinc/10/62/88/742106288.db2.gz WUYUSPQZZIWSDB-ZDUSSCGKSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C(C)(C)C1 ZINC000974726514 742120039 /nfs/dbraw/zinc/12/00/39/742120039.db2.gz BSOCZKRNEGTNBF-DZGCQCFKSA-N 1 1 330.432 0.918 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C(C)(C)C1 ZINC000974726514 742120040 /nfs/dbraw/zinc/12/00/40/742120040.db2.gz BSOCZKRNEGTNBF-DZGCQCFKSA-N 1 1 330.432 0.918 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C(C)(C)C1 ZINC000974733670 742123659 /nfs/dbraw/zinc/12/36/59/742123659.db2.gz JNHKPWNAWIWXAK-OAHLLOKOSA-N 1 1 328.416 0.573 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000974970165 742398018 /nfs/dbraw/zinc/39/80/18/742398018.db2.gz DEJLJARIWXIYGE-RRFJBIMHSA-N 1 1 332.448 0.937 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3c[nH]cn3)C(C)(C)C2)C1=O ZINC000975100566 742481314 /nfs/dbraw/zinc/48/13/14/742481314.db2.gz YCAFSJIQPMBOPG-LSDHHAIUSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3c[nH]cn3)C(C)(C)C2)C1=O ZINC000975100566 742481319 /nfs/dbraw/zinc/48/13/19/742481319.db2.gz YCAFSJIQPMBOPG-LSDHHAIUSA-N 1 1 345.447 0.566 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000975364034 742755212 /nfs/dbraw/zinc/75/52/12/742755212.db2.gz XLUVABLOYAJMTP-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000975364034 742755217 /nfs/dbraw/zinc/75/52/17/742755217.db2.gz XLUVABLOYAJMTP-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)c(F)c1 ZINC001027162871 742895101 /nfs/dbraw/zinc/89/51/01/742895101.db2.gz WTDPUVFCCDGHIT-ZDUSSCGKSA-N 1 1 342.378 0.996 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)nc1 ZINC001028935938 742916488 /nfs/dbraw/zinc/91/64/88/742916488.db2.gz NNRVJYCAEKWWHU-GOEBONIOSA-N 1 1 326.400 0.393 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC001028935919 742917148 /nfs/dbraw/zinc/91/71/48/742917148.db2.gz NEAPDXLNEUWRRP-BBRMVZONSA-N 1 1 344.390 0.914 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC001028935953 742917181 /nfs/dbraw/zinc/91/71/81/742917181.db2.gz NQQWOLCSSLEFKQ-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001028967422 743015830 /nfs/dbraw/zinc/01/58/30/743015830.db2.gz AGGUQJKJOBTTGZ-CQSZACIVSA-N 1 1 326.404 0.816 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC000997076486 743200693 /nfs/dbraw/zinc/20/06/93/743200693.db2.gz DYFMUWJUBSSZDT-LTIDMASMSA-N 1 1 345.443 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC000997076486 743200699 /nfs/dbraw/zinc/20/06/99/743200699.db2.gz DYFMUWJUBSSZDT-LTIDMASMSA-N 1 1 345.443 0.369 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cn1 ZINC000997102887 743239240 /nfs/dbraw/zinc/23/92/40/743239240.db2.gz GRFHQSBLJKVAGC-DLBZAZTESA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3ccnn3C)C2)CC1 ZINC001027234127 743245999 /nfs/dbraw/zinc/24/59/99/743245999.db2.gz PPZNBBHLYIDDFX-INIZCTEOSA-N 1 1 343.475 0.703 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001006796318 751842828 /nfs/dbraw/zinc/84/28/28/751842828.db2.gz JSVSBFZCQGUNRW-ZBFHGGJFSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001006796318 751842837 /nfs/dbraw/zinc/84/28/37/751842837.db2.gz JSVSBFZCQGUNRW-ZBFHGGJFSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn1C ZINC000976174009 743632151 /nfs/dbraw/zinc/63/21/51/743632151.db2.gz GOHZJHUUBCVXQR-HDEZJCGLSA-N 1 1 340.427 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn1C ZINC000976174009 743632154 /nfs/dbraw/zinc/63/21/54/743632154.db2.gz GOHZJHUUBCVXQR-HDEZJCGLSA-N 1 1 340.427 0.309 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)c3ccn[nH]3)CC2)C1=O ZINC000997560367 743676802 /nfs/dbraw/zinc/67/68/02/743676802.db2.gz DJWXHHPELXGEGM-CQSZACIVSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2[nH]cnc2CC)C1 ZINC000997695344 743757496 /nfs/dbraw/zinc/75/74/96/743757496.db2.gz TWZLCMWSCJVPKR-AWEZNQCLSA-N 1 1 329.404 0.010 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2[nH]cnc2CC)C1 ZINC000997695344 743757499 /nfs/dbraw/zinc/75/74/99/743757499.db2.gz TWZLCMWSCJVPKR-AWEZNQCLSA-N 1 1 329.404 0.010 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCOC1 ZINC000976263170 743760434 /nfs/dbraw/zinc/76/04/34/743760434.db2.gz ZJLCPXCCDVGGBZ-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCOC1 ZINC000976263170 743760436 /nfs/dbraw/zinc/76/04/36/743760436.db2.gz ZJLCPXCCDVGGBZ-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)CCN2CCCS2(=O)=O)C1 ZINC001027336251 743795359 /nfs/dbraw/zinc/79/53/59/743795359.db2.gz OSFYZHULWVTHCJ-KGLIPLIRSA-N 1 1 342.465 0.104 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC ZINC000997769910 743800054 /nfs/dbraw/zinc/80/00/54/743800054.db2.gz RDQBSRSKWGQFTE-QPSCCSFWSA-N 1 1 335.473 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC ZINC000997769910 743800056 /nfs/dbraw/zinc/80/00/56/743800056.db2.gz RDQBSRSKWGQFTE-QPSCCSFWSA-N 1 1 335.473 0.695 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000976314575 743822651 /nfs/dbraw/zinc/82/26/51/743822651.db2.gz ZDJBFOIEMSYRCH-KCTHJMFYSA-N 1 1 335.448 0.492 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000976314575 743822656 /nfs/dbraw/zinc/82/26/56/743822656.db2.gz ZDJBFOIEMSYRCH-KCTHJMFYSA-N 1 1 335.448 0.492 20 30 ECEDMO Cn1nncc1C[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027355379 743921760 /nfs/dbraw/zinc/92/17/60/743921760.db2.gz UVWGOLOJPAZKKB-CYBMUJFWSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1nncc1C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027355379 743921761 /nfs/dbraw/zinc/92/17/61/743921761.db2.gz UVWGOLOJPAZKKB-CYBMUJFWSA-N 1 1 327.392 0.751 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CS(=O)(=O)C2)CC1 ZINC000998015037 743931033 /nfs/dbraw/zinc/93/10/33/743931033.db2.gz BUOAMKNQZGPYAN-OAHLLOKOSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccn(CC)c2C)C1 ZINC000998042715 743945422 /nfs/dbraw/zinc/94/54/22/743945422.db2.gz GFJZUZHOQJODQI-KRWDZBQOSA-N 1 1 342.443 0.855 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccn(CC)c2C)C1 ZINC000998042715 743945424 /nfs/dbraw/zinc/94/54/24/743945424.db2.gz GFJZUZHOQJODQI-KRWDZBQOSA-N 1 1 342.443 0.855 20 30 ECEDMO C=CCn1cc(C(=O)N(CC)[C@H]2CCC[N@H+]([C@@H](C)C(N)=O)CC2)nn1 ZINC000998140142 744000806 /nfs/dbraw/zinc/00/08/06/744000806.db2.gz IDTDSKTZVNFIBC-KBPBESRZSA-N 1 1 348.451 0.655 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]2O)cc1 ZINC001078243743 782545955 /nfs/dbraw/zinc/54/59/55/782545955.db2.gz WILAYLGOGBQXBW-ZTFGCOKTSA-N 1 1 348.443 0.990 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000998152428 744009437 /nfs/dbraw/zinc/00/94/37/744009437.db2.gz BVXMVJGAGMUEAD-CABCVRRESA-N 1 1 343.493 0.909 20 30 ECEDMO C[N@@H+]([C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@H]1CCCNC1=O ZINC001027371671 744017527 /nfs/dbraw/zinc/01/75/27/744017527.db2.gz GVSRZKATCMPTPK-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000976541371 744082700 /nfs/dbraw/zinc/08/27/00/744082700.db2.gz RMTWUTZZEKYLFY-NWANDNLSSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982291628 751886582 /nfs/dbraw/zinc/88/65/82/751886582.db2.gz SKDPMHANUUNDNM-XWIAVFTESA-N 1 1 331.416 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC000976733770 744257745 /nfs/dbraw/zinc/25/77/45/744257745.db2.gz DGGIFPUMTGKRFA-IHEMHTGZSA-N 1 1 341.455 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC000976733770 744257749 /nfs/dbraw/zinc/25/77/49/744257749.db2.gz DGGIFPUMTGKRFA-IHEMHTGZSA-N 1 1 341.455 0.703 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000998662197 744274069 /nfs/dbraw/zinc/27/40/69/744274069.db2.gz JJFJVDVYBUNMFH-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CCCC3)C[C@H]21 ZINC000976742600 744278384 /nfs/dbraw/zinc/27/83/84/744278384.db2.gz UWAHHWLXPGCKDH-VVLHAWIVSA-N 1 1 327.428 0.767 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CCCC3)C[C@H]21 ZINC000976742600 744278387 /nfs/dbraw/zinc/27/83/87/744278387.db2.gz UWAHHWLXPGCKDH-VVLHAWIVSA-N 1 1 327.428 0.767 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 ZINC000976804374 744343414 /nfs/dbraw/zinc/34/34/14/744343414.db2.gz HXEWGXGQEBKYRJ-OWYFMNJBSA-N 1 1 332.448 0.839 20 30 ECEDMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C ZINC000998848120 744370545 /nfs/dbraw/zinc/37/05/45/744370545.db2.gz FAVYMXHOCAZZQX-CMPLNLGQSA-N 1 1 328.380 0.365 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)c1 ZINC000998848154 744371005 /nfs/dbraw/zinc/37/10/05/744371005.db2.gz FNNNKYCQZMVZQB-LBPRGKRZSA-N 1 1 340.391 0.602 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nc(CC)no2)C1 ZINC000998929496 744410886 /nfs/dbraw/zinc/41/08/86/744410886.db2.gz XICNVIGDLOEUSF-NRXISQOPSA-N 1 1 345.447 0.809 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nc(CC)no2)C1 ZINC000998929496 744410892 /nfs/dbraw/zinc/41/08/92/744410892.db2.gz XICNVIGDLOEUSF-NRXISQOPSA-N 1 1 345.447 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccc(OC)n2)C1 ZINC000998942865 744418444 /nfs/dbraw/zinc/41/84/44/744418444.db2.gz BGMXLWCXTNDHGL-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccc(OC)n2)C1 ZINC000998942865 744418447 /nfs/dbraw/zinc/41/84/47/744418447.db2.gz BGMXLWCXTNDHGL-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001027480545 744728179 /nfs/dbraw/zinc/72/81/79/744728179.db2.gz JLFZGBBJGIJTAI-CYBMUJFWSA-N 1 1 328.372 0.582 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3nc(C)c[nH]3)C(C)(C)C2)C1=O ZINC000977287259 744843274 /nfs/dbraw/zinc/84/32/74/744843274.db2.gz BQOLPBONPRPGDX-ZIAGYGMSSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3nc(C)c[nH]3)C(C)(C)C2)C1=O ZINC000977287259 744843277 /nfs/dbraw/zinc/84/32/77/744843277.db2.gz BQOLPBONPRPGDX-ZIAGYGMSSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3csnn3)C2)C1=O ZINC001027510155 744889944 /nfs/dbraw/zinc/88/99/44/744889944.db2.gz QJDCKHBRLNGRLC-TZMCWYRMSA-N 1 1 349.460 0.861 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977388936 744910201 /nfs/dbraw/zinc/91/02/01/744910201.db2.gz OKSDCAXSCNIGRG-DZGCQCFKSA-N 1 1 333.436 0.941 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnco3)C2)C1=O ZINC001027513942 744913162 /nfs/dbraw/zinc/91/31/62/744913162.db2.gz XOAMESUKWUEJGU-UONOGXRCSA-N 1 1 332.404 0.998 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999854076 744947167 /nfs/dbraw/zinc/94/71/67/744947167.db2.gz WCIGTSBSYDDMMY-QRTARXTBSA-N 1 1 335.448 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nc1 ZINC000999860657 744954964 /nfs/dbraw/zinc/95/49/64/744954964.db2.gz VSBNNNCMAXUPDZ-CYBMUJFWSA-N 1 1 326.400 0.488 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087475611 744970013 /nfs/dbraw/zinc/97/00/13/744970013.db2.gz SQNMWCKEKKEFSJ-HOTGVXAUSA-N 1 1 329.400 0.478 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087475611 744970016 /nfs/dbraw/zinc/97/00/16/744970016.db2.gz SQNMWCKEKKEFSJ-HOTGVXAUSA-N 1 1 329.400 0.478 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)C(C)(C)C1 ZINC000977466973 745054202 /nfs/dbraw/zinc/05/42/02/745054202.db2.gz JFUGKGKGGOGGAZ-CYBMUJFWSA-N 1 1 327.388 0.898 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 ZINC000999955336 745094624 /nfs/dbraw/zinc/09/46/24/745094624.db2.gz IVQVGAZWWLFHJM-HUUCEWRRSA-N 1 1 335.408 0.133 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999960090 745101074 /nfs/dbraw/zinc/10/10/74/745101074.db2.gz BMQZNIDWYWLSEC-CVEARBPZSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999960090 745101079 /nfs/dbraw/zinc/10/10/79/745101079.db2.gz BMQZNIDWYWLSEC-CVEARBPZSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 ZINC000999964789 745109726 /nfs/dbraw/zinc/10/97/26/745109726.db2.gz FNQCGJWMCHZDAZ-HNNXBMFYSA-N 1 1 329.408 0.765 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnnn3C)nn2)C1 ZINC000999980117 745130117 /nfs/dbraw/zinc/13/01/17/745130117.db2.gz CSMKWLVENBADJS-ZDUSSCGKSA-N 1 1 330.396 0.160 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]cc3C)nn2)C1 ZINC000999980011 745130382 /nfs/dbraw/zinc/13/03/82/745130382.db2.gz BAEISRMULBGKJI-CQSZACIVSA-N 1 1 327.392 0.510 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cn4c(n3)CCC4)nn2)C1 ZINC000999986245 745140464 /nfs/dbraw/zinc/14/04/64/745140464.db2.gz GLWZQRBRFLQTQZ-AWEZNQCLSA-N 1 1 341.419 0.784 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnnn3CC)nn2)C1 ZINC000999988316 745144346 /nfs/dbraw/zinc/14/43/46/745144346.db2.gz BNLUXAZNPVJMSN-AWEZNQCLSA-N 1 1 342.407 0.090 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3Cl)nn2)C1 ZINC000999995222 745153851 /nfs/dbraw/zinc/15/38/51/745153851.db2.gz FJCVJFAFXAXZJX-LBPRGKRZSA-N 1 1 347.810 0.475 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1 ZINC000999995765 745155911 /nfs/dbraw/zinc/15/59/11/745155911.db2.gz HOVJRWDJJATSFH-RBSFLKMASA-N 1 1 341.419 0.854 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)nn2)C1 ZINC000999995765 745155913 /nfs/dbraw/zinc/15/59/13/745155913.db2.gz HOVJRWDJJATSFH-RBSFLKMASA-N 1 1 341.419 0.854 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)nn2)C1 ZINC000999995765 745155917 /nfs/dbraw/zinc/15/59/17/745155917.db2.gz HOVJRWDJJATSFH-RBSFLKMASA-N 1 1 341.419 0.854 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001000002015 745164838 /nfs/dbraw/zinc/16/48/38/745164838.db2.gz GMTIMVKJQHUXDH-AWEZNQCLSA-N 1 1 327.392 0.212 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC(=O)NC3)nn2)C1 ZINC001000003497 745168378 /nfs/dbraw/zinc/16/83/78/745168378.db2.gz QDUKBPUVNMUUIW-DZGCQCFKSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CCC(OC)CC3)nn2)C1 ZINC001000012465 745181507 /nfs/dbraw/zinc/18/15/07/745181507.db2.gz FOGIDBHKMITCKF-WIHSUSGWSA-N 1 1 345.447 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3csc(=O)[nH]3)nn2)C1 ZINC001000017044 745187471 /nfs/dbraw/zinc/18/74/71/745187471.db2.gz VDCJCMSWXIOWGD-LBPRGKRZSA-N 1 1 346.416 0.640 20 30 ECEDMO CC#CCN1CC[C@@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000020227 745191298 /nfs/dbraw/zinc/19/12/98/745191298.db2.gz KTKRJBONLKZKDV-QGZVFWFLSA-N 1 1 344.463 0.506 20 30 ECEDMO CC#CCN1CC[C@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000020226 745191660 /nfs/dbraw/zinc/19/16/60/745191660.db2.gz KTKRJBONLKZKDV-KRWDZBQOSA-N 1 1 344.463 0.506 20 30 ECEDMO C#Cc1cncc(C(=O)NCc2cn([C@H]3CC[N@@H+](CCF)C3)nn2)c1 ZINC001000021794 745193180 /nfs/dbraw/zinc/19/31/80/745193180.db2.gz UJWPDXVZFVODMH-INIZCTEOSA-N 1 1 342.378 0.801 20 30 ECEDMO C#Cc1cncc(C(=O)NCc2cn([C@H]3CC[N@H+](CCF)C3)nn2)c1 ZINC001000021794 745193185 /nfs/dbraw/zinc/19/31/85/745193185.db2.gz UJWPDXVZFVODMH-INIZCTEOSA-N 1 1 342.378 0.801 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCCC(=O)N3)nn2)C1 ZINC001000025535 745197099 /nfs/dbraw/zinc/19/70/99/745197099.db2.gz QOTWAGVJOHEYQF-LSDHHAIUSA-N 1 1 346.435 0.386 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CC#CC)C2)nn1 ZINC001000032068 745206111 /nfs/dbraw/zinc/20/61/11/745206111.db2.gz PFQPQWPWNDGOKQ-ZACQAIPSSA-N 1 1 343.431 0.756 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC(=O)N3)nn2)C1 ZINC001000034396 745209691 /nfs/dbraw/zinc/20/96/91/745209691.db2.gz HBBKZJMUFQVXGL-CABCVRRESA-N 1 1 346.435 0.386 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(CC)on3)nn2)C1 ZINC001000034832 745210370 /nfs/dbraw/zinc/21/03/70/745210370.db2.gz JNHSHNAAUCIRKU-CYBMUJFWSA-N 1 1 328.376 0.639 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(CC)cn3)nn2)C1 ZINC001000037117 745214447 /nfs/dbraw/zinc/21/44/47/745214447.db2.gz YPUSGJAGZBGTCB-HNNXBMFYSA-N 1 1 341.419 0.695 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(CCC)nn3)nn2)C1 ZINC001000038330 745217060 /nfs/dbraw/zinc/21/70/60/745217060.db2.gz VRIQHACSAMGTIY-CQSZACIVSA-N 1 1 344.423 0.642 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1ccc(C#N)[nH]1 ZINC000977591769 745222950 /nfs/dbraw/zinc/22/29/50/745222950.db2.gz HOBBZYNNDWGYEH-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]cnc3C)nn2)C1 ZINC001000044890 745225301 /nfs/dbraw/zinc/22/53/01/745225301.db2.gz ZKOQYNRWPZJDHF-AWEZNQCLSA-N 1 1 327.392 0.510 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnc(C)n3)nn2)C1 ZINC001000044605 745225445 /nfs/dbraw/zinc/22/54/45/745225445.db2.gz XDOQZRWUSNDCED-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000977595492 745231980 /nfs/dbraw/zinc/23/19/80/745231980.db2.gz CCOAYKAZIFQAFR-JSGCOSHPSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC000977589234 745251115 /nfs/dbraw/zinc/25/11/15/745251115.db2.gz QOBOUOOXMAALJU-JYJNAYRXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC000977589234 745251119 /nfs/dbraw/zinc/25/11/19/745251119.db2.gz QOBOUOOXMAALJU-JYJNAYRXSA-N 1 1 333.432 0.322 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)C3=NC(=O)N(C)C3)C2)C1=O ZINC001000089396 745254596 /nfs/dbraw/zinc/25/45/96/745254596.db2.gz FSFNJEXDGVYDIC-CHWSQXEVSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCC1(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)CCCC1 ZINC001105384747 745255915 /nfs/dbraw/zinc/25/59/15/745255915.db2.gz NYGMKXLOHDFVKG-UHFFFAOYSA-N 1 1 333.436 0.880 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCCO3)[C@@H](O)C2)c1 ZINC001083410316 745257615 /nfs/dbraw/zinc/25/76/15/745257615.db2.gz AKGJJNLFFYCDSC-IXDOHACOSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCCO3)[C@@H](O)C2)c1 ZINC001083410316 745257620 /nfs/dbraw/zinc/25/76/20/745257620.db2.gz AKGJJNLFFYCDSC-IXDOHACOSA-N 1 1 329.400 0.789 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001006938198 751989468 /nfs/dbraw/zinc/98/94/68/751989468.db2.gz LORGGHSOOJSABX-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001006938198 751989470 /nfs/dbraw/zinc/98/94/70/751989470.db2.gz LORGGHSOOJSABX-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNc1ccc(C#N)cn1 ZINC001111494909 745369075 /nfs/dbraw/zinc/36/90/75/745369075.db2.gz OUFPDWZVAQDANQ-UHFFFAOYSA-N 1 1 333.436 0.918 20 30 ECEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553269 745421305 /nfs/dbraw/zinc/42/13/05/745421305.db2.gz TUHGAMWIIDCDML-AWEZNQCLSA-N 1 1 330.388 0.497 20 30 ECEDMO CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1)C1CCC1 ZINC001083413477 745487912 /nfs/dbraw/zinc/48/79/12/745487912.db2.gz PZZQOTOVNSSOHK-OWCLPIDISA-N 1 1 332.404 0.476 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000977776129 745496089 /nfs/dbraw/zinc/49/60/89/745496089.db2.gz RIIFEPSBTLXXTK-NVXWUHKLSA-N 1 1 340.427 0.688 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C)c[nH]1 ZINC001114946959 752013838 /nfs/dbraw/zinc/01/38/38/752013838.db2.gz CAUFBEXDBXCTQS-FOLVSLTJSA-N 1 1 345.447 0.803 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001000594160 745623221 /nfs/dbraw/zinc/62/32/21/745623221.db2.gz LDTMOTLSHCGHKL-LBPRGKRZSA-N 1 1 329.404 0.725 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC001000594031 745623242 /nfs/dbraw/zinc/62/32/42/745623242.db2.gz IBKFJSFGMOEMFQ-OAHLLOKOSA-N 1 1 327.388 0.479 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(=O)OC)C2)nn1 ZINC001098626719 745637697 /nfs/dbraw/zinc/63/76/97/745637697.db2.gz ZTACJLYIKYBMLV-ZDUSSCGKSA-N 1 1 336.396 0.073 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc(C#N)nn1 ZINC001126517888 745645294 /nfs/dbraw/zinc/64/52/94/745645294.db2.gz MLBXBGDEIJGUJA-AWEZNQCLSA-N 1 1 346.435 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]nc1C ZINC000977921890 745651363 /nfs/dbraw/zinc/65/13/63/745651363.db2.gz VNFOEZLYTATTPH-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]nc1C ZINC000977921890 745651366 /nfs/dbraw/zinc/65/13/66/745651366.db2.gz VNFOEZLYTATTPH-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1nc(C)c[nH]1 ZINC000977923002 745653092 /nfs/dbraw/zinc/65/30/92/745653092.db2.gz YVKVACJQCFAWQS-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1nc(C)c[nH]1 ZINC000977923002 745653094 /nfs/dbraw/zinc/65/30/94/745653094.db2.gz YVKVACJQCFAWQS-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc[nH]c1 ZINC000977915071 745668838 /nfs/dbraw/zinc/66/88/38/745668838.db2.gz AQUDNWUFTOMQAM-HOTGVXAUSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc[nH]c1 ZINC000977915071 745668843 /nfs/dbraw/zinc/66/88/43/745668843.db2.gz AQUDNWUFTOMQAM-HOTGVXAUSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C[C@@]2(C)C1 ZINC000982352933 752026558 /nfs/dbraw/zinc/02/65/58/752026558.db2.gz NIYJAWFDOFHVBW-LZQZEXGQSA-N 1 1 346.475 0.971 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000984037092 745724125 /nfs/dbraw/zinc/72/41/25/745724125.db2.gz FMZRMQMGEOBIDG-GJZGRUSLSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)NC2CC2)cn1 ZINC001028271079 752028815 /nfs/dbraw/zinc/02/88/15/752028815.db2.gz YBKICVYHKVVFBC-GUYCJALGSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC2CC2)cn1 ZINC001028271079 752028821 /nfs/dbraw/zinc/02/88/21/752028821.db2.gz YBKICVYHKVVFBC-GUYCJALGSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)NC1CC1 ZINC001029342426 745758537 /nfs/dbraw/zinc/75/85/37/745758537.db2.gz NRQXVXRKQSTWNE-BBWFWOEESA-N 1 1 344.459 0.038 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)NC1CC1 ZINC001029342426 745758541 /nfs/dbraw/zinc/75/85/41/745758541.db2.gz NRQXVXRKQSTWNE-BBWFWOEESA-N 1 1 344.459 0.038 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccon1 ZINC001029342635 745759838 /nfs/dbraw/zinc/75/98/38/745759838.db2.gz YEYPPQRVXMNGJX-BBWFWOEESA-N 1 1 328.416 0.947 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccon1 ZINC001029342635 745759845 /nfs/dbraw/zinc/75/98/45/745759845.db2.gz YEYPPQRVXMNGJX-BBWFWOEESA-N 1 1 328.416 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3cncn3C)CC2)C1=O ZINC001000909750 745889864 /nfs/dbraw/zinc/88/98/64/745889864.db2.gz DUXVPWGPEKVUTG-HNNXBMFYSA-N 1 1 343.431 0.569 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001000934319 745911880 /nfs/dbraw/zinc/91/18/80/745911880.db2.gz LUWXVUDOKBYCCF-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2occc2C)C1 ZINC001000952649 745927149 /nfs/dbraw/zinc/92/71/49/745927149.db2.gz TZLWTGNRFDURFL-HNNXBMFYSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2occc2C)C1 ZINC001000952649 745927153 /nfs/dbraw/zinc/92/71/53/745927153.db2.gz TZLWTGNRFDURFL-HNNXBMFYSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CCOCC)C1 ZINC001059329033 745951124 /nfs/dbraw/zinc/95/11/24/745951124.db2.gz YAYIAXNRGIZYRI-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CCOCC)C1 ZINC001059329033 745951127 /nfs/dbraw/zinc/95/11/27/745951127.db2.gz YAYIAXNRGIZYRI-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC001000994197 745959626 /nfs/dbraw/zinc/95/96/26/745959626.db2.gz INHNCVJYIVGGEX-UHFFFAOYSA-N 1 1 339.399 0.716 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)O1 ZINC000984183479 746003191 /nfs/dbraw/zinc/00/31/91/746003191.db2.gz HMQWOKNYQBNCGN-DJIMGWMZSA-N 1 1 347.459 0.568 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)O1 ZINC000984183479 746003197 /nfs/dbraw/zinc/00/31/97/746003197.db2.gz HMQWOKNYQBNCGN-DJIMGWMZSA-N 1 1 347.459 0.568 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c1 ZINC001007028855 752054275 /nfs/dbraw/zinc/05/42/75/752054275.db2.gz KIIIHRHEOYQYHB-KGLIPLIRSA-N 1 1 339.403 0.860 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCCNC2=O)cn1 ZINC001028273830 752056867 /nfs/dbraw/zinc/05/68/67/752056867.db2.gz SCDIJAXMEFTPDS-CVEARBPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCCNC2=O)cn1 ZINC001028273830 752056874 /nfs/dbraw/zinc/05/68/74/752056874.db2.gz SCDIJAXMEFTPDS-CVEARBPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1CC ZINC001087577922 746081803 /nfs/dbraw/zinc/08/18/03/746081803.db2.gz QCOOCTYWXUODJL-WDEREUQCSA-N 1 1 340.815 0.099 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1CC ZINC001087577922 746081810 /nfs/dbraw/zinc/08/18/10/746081810.db2.gz QCOOCTYWXUODJL-WDEREUQCSA-N 1 1 340.815 0.099 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC001001144758 746111911 /nfs/dbraw/zinc/11/19/11/746111911.db2.gz NEVMNXJIIHJUFY-CVEARBPZSA-N 1 1 333.432 0.394 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)COC2CCCC2)[C@H](OC)C1 ZINC001211939035 752061794 /nfs/dbraw/zinc/06/17/94/752061794.db2.gz IGQYLMFBEMYPBO-HZPDHXFCSA-N 1 1 326.437 0.964 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nonc3C)C[C@H]21 ZINC000978283885 746147251 /nfs/dbraw/zinc/14/72/51/746147251.db2.gz QYTGBWQDYOUPFV-MPTYRVRUSA-N 1 1 343.431 0.270 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nonc3C)C[C@H]21 ZINC000978283885 746147254 /nfs/dbraw/zinc/14/72/54/746147254.db2.gz QYTGBWQDYOUPFV-MPTYRVRUSA-N 1 1 343.431 0.270 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@H+](Cc3cncn3C)CC2)nn1 ZINC001001240257 746198745 /nfs/dbraw/zinc/19/87/45/746198745.db2.gz BIXCHAQYUYNJPR-UHFFFAOYSA-N 1 1 341.419 0.760 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+](Cc3cncn3C)CC2)nn1 ZINC001001240257 746198750 /nfs/dbraw/zinc/19/87/50/746198750.db2.gz BIXCHAQYUYNJPR-UHFFFAOYSA-N 1 1 341.419 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H]1CC ZINC001087723309 746245143 /nfs/dbraw/zinc/24/51/43/746245143.db2.gz KUELDGAKVKUYET-VVLHAWIVSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2oc(C)nc2C)C1 ZINC001001306047 746264139 /nfs/dbraw/zinc/26/41/39/746264139.db2.gz FYVPMKWUAQJABC-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2oc(C)nc2C)C1 ZINC001001306047 746264143 /nfs/dbraw/zinc/26/41/43/746264143.db2.gz FYVPMKWUAQJABC-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087757640 746291010 /nfs/dbraw/zinc/29/10/10/746291010.db2.gz DNOFXDOYYPXJDP-MJBXVCDLSA-N 1 1 327.450 0.013 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001347863 746296601 /nfs/dbraw/zinc/29/66/01/746296601.db2.gz VIZLKQSDJAQPRQ-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccncn3)[C@H]2CC)C1=O ZINC001087768220 746307455 /nfs/dbraw/zinc/30/74/55/746307455.db2.gz RBVFRPVPNDKSTM-IMJJTQAJSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001001365962 746312119 /nfs/dbraw/zinc/31/21/19/746312119.db2.gz HXUJPKIRZCMZHB-UHFFFAOYSA-N 1 1 328.376 0.356 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001001365957 746312371 /nfs/dbraw/zinc/31/23/71/746312371.db2.gz HSYAYYAIPXLYIE-UHFFFAOYSA-N 1 1 332.360 0.282 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC000984353770 746324668 /nfs/dbraw/zinc/32/46/68/746324668.db2.gz ZGVAFRIRZRTJGO-CVEARBPZSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC000984353770 746324675 /nfs/dbraw/zinc/32/46/75/746324675.db2.gz ZGVAFRIRZRTJGO-CVEARBPZSA-N 1 1 343.431 0.570 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(Cn4ccnn4)o3)[C@@H]2C1 ZINC000978505593 746381850 /nfs/dbraw/zinc/38/18/50/746381850.db2.gz GHTSHSMGXAPGSU-PHZGNYQRSA-N 1 1 339.399 0.850 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3CCCC)[C@@H]2C1 ZINC000978521717 746383602 /nfs/dbraw/zinc/38/36/02/746383602.db2.gz AVMSWRHPNQLHTF-FJIDUMEYSA-N 1 1 333.476 0.805 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1CC ZINC001087826472 746421026 /nfs/dbraw/zinc/42/10/26/746421026.db2.gz QFLUKEVPNBELFP-LSDHHAIUSA-N 1 1 343.493 0.262 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1CC ZINC001087826472 746421030 /nfs/dbraw/zinc/42/10/30/746421030.db2.gz QFLUKEVPNBELFP-LSDHHAIUSA-N 1 1 343.493 0.262 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001485508 746424111 /nfs/dbraw/zinc/42/41/11/746424111.db2.gz WIJFZTRTXDYFBM-UHFFFAOYSA-N 1 1 326.360 0.280 20 30 ECEDMO CCn1cc(CC[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cn1 ZINC001083417937 746436393 /nfs/dbraw/zinc/43/63/93/746436393.db2.gz JQIUMNXZWYADRN-CVEARBPZSA-N 1 1 342.403 0.120 20 30 ECEDMO CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cn1 ZINC001083417937 746436398 /nfs/dbraw/zinc/43/63/98/746436398.db2.gz JQIUMNXZWYADRN-CVEARBPZSA-N 1 1 342.403 0.120 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001001506115 746444274 /nfs/dbraw/zinc/44/42/74/746444274.db2.gz KTTJDLZENSQFPQ-LBPRGKRZSA-N 1 1 329.404 0.416 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@H]1CC ZINC001087834888 746446815 /nfs/dbraw/zinc/44/68/15/746446815.db2.gz ZQXXGEAUCGFYTR-ZNMIVQPWSA-N 1 1 343.855 0.955 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@H]1CC ZINC001087834888 746446817 /nfs/dbraw/zinc/44/68/17/746446817.db2.gz ZQXXGEAUCGFYTR-ZNMIVQPWSA-N 1 1 343.855 0.955 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059382245 746507911 /nfs/dbraw/zinc/50/79/11/746507911.db2.gz QDLAWEPYOOIVQL-UMVBOHGHSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059382245 746507913 /nfs/dbraw/zinc/50/79/13/746507913.db2.gz QDLAWEPYOOIVQL-UMVBOHGHSA-N 1 1 344.419 0.517 20 30 ECEDMO CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)C1 ZINC001083418568 746520084 /nfs/dbraw/zinc/52/00/84/746520084.db2.gz PEYFUJKYEAIZFC-KFWWJZLASA-N 1 1 332.404 0.476 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN(CC(F)F)C3)[C@@H]2C1 ZINC000978637201 746528525 /nfs/dbraw/zinc/52/85/25/746528525.db2.gz FGKRMRJASZTBOE-TUVASFSCSA-N 1 1 325.403 0.891 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC000978643342 746535613 /nfs/dbraw/zinc/53/56/13/746535613.db2.gz RKORCXCHVZTBNF-TUVASFSCSA-N 1 1 327.432 0.237 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CCOCC3)C2)c1 ZINC001007117068 752103114 /nfs/dbraw/zinc/10/31/14/752103114.db2.gz NTCAXSHQJFBRTA-GOSISDBHSA-N 1 1 342.443 0.971 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)cc1 ZINC000978677880 746574354 /nfs/dbraw/zinc/57/43/54/746574354.db2.gz WACHZEXUWFECNJ-LVQVYYBASA-N 1 1 339.399 0.034 20 30 ECEDMO CN1CCN(c2ccc(CNC(=[NH2+])N3CCSCC3)cn2)CC1 ZINC000262242599 746580120 /nfs/dbraw/zinc/58/01/20/746580120.db2.gz HWWKVIWJCDQJEU-UHFFFAOYSA-N 1 1 334.493 0.697 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@H]32)c1 ZINC000978695014 746591086 /nfs/dbraw/zinc/59/10/86/746591086.db2.gz FVQPPEYOPKXJAV-PHZGNYQRSA-N 1 1 337.383 0.862 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@H]32)c1 ZINC000978695014 746591087 /nfs/dbraw/zinc/59/10/87/746591087.db2.gz FVQPPEYOPKXJAV-PHZGNYQRSA-N 1 1 337.383 0.862 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H]3CCCNC3=O)C2)cn1 ZINC001027656629 746599858 /nfs/dbraw/zinc/59/98/58/746599858.db2.gz VJBLZJUTSKZKFO-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO N#CCN1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+]4CCCC4)on3)[C@@H]2C1 ZINC000978711961 746614299 /nfs/dbraw/zinc/61/42/99/746614299.db2.gz SHKHHDHDQIWWMQ-QKDCVEJESA-N 1 1 329.404 0.702 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC(C)(C)C)C2)C1 ZINC001059396915 746622486 /nfs/dbraw/zinc/62/24/86/746622486.db2.gz IBXDDRRSDJSCRU-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC(C)(C)C)C2)C1 ZINC001059396915 746622489 /nfs/dbraw/zinc/62/24/89/746622489.db2.gz IBXDDRRSDJSCRU-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001087911369 746646345 /nfs/dbraw/zinc/64/63/45/746646345.db2.gz SNRAKRUGEYGCJF-BMFZPTHFSA-N 1 1 328.416 0.825 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978734706 746648813 /nfs/dbraw/zinc/64/88/13/746648813.db2.gz XSSRGFLJLDMMFU-RJZRQDKASA-N 1 1 343.431 0.709 20 30 ECEDMO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)nn1 ZINC001087940712 746695121 /nfs/dbraw/zinc/69/51/21/746695121.db2.gz ULJPYRWYSXXJIN-OCCSQVGLSA-N 1 1 339.403 0.609 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)nn1 ZINC001087940712 746695124 /nfs/dbraw/zinc/69/51/24/746695124.db2.gz ULJPYRWYSXXJIN-OCCSQVGLSA-N 1 1 339.403 0.609 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)c3C(F)(F)F)[C@@H]2C1 ZINC000978818221 746745176 /nfs/dbraw/zinc/74/51/76/746745176.db2.gz OIIAYWCJDCPNGN-RTCCRHLQSA-N 1 1 341.337 0.765 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]2C1 ZINC001087964524 746753508 /nfs/dbraw/zinc/75/35/08/746753508.db2.gz OIPZFNXYVYAURW-KFWWJZLASA-N 1 1 341.415 0.176 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001001888182 746787198 /nfs/dbraw/zinc/78/71/98/746787198.db2.gz LCIUGPODHAPZLD-INIZCTEOSA-N 1 1 343.431 0.947 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001001907349 746798616 /nfs/dbraw/zinc/79/86/16/746798616.db2.gz HSKWEDGVBFACHD-IAGOWNOFSA-N 1 1 329.444 0.849 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)c1nnc[nH]1 ZINC000978879308 746846623 /nfs/dbraw/zinc/84/66/23/746846623.db2.gz OFTIETXZNXEMPL-PHZGNYQRSA-N 1 1 339.374 0.903 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)c1ncn[nH]1 ZINC000978879308 746846629 /nfs/dbraw/zinc/84/66/29/746846629.db2.gz OFTIETXZNXEMPL-PHZGNYQRSA-N 1 1 339.374 0.903 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)c1ncn[nH]1 ZINC000978879308 746846632 /nfs/dbraw/zinc/84/66/32/746846632.db2.gz OFTIETXZNXEMPL-PHZGNYQRSA-N 1 1 339.374 0.903 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001001995969 746869833 /nfs/dbraw/zinc/86/98/33/746869833.db2.gz BEVXWSIXEMJWIG-HNNXBMFYSA-N 1 1 326.400 0.203 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)CC[C@@H]2C1 ZINC001087992864 746952541 /nfs/dbraw/zinc/95/25/41/746952541.db2.gz PQNBDZYCAJNJGM-CABCVRRESA-N 1 1 330.432 0.814 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@@H]2C1 ZINC001087994256 746958101 /nfs/dbraw/zinc/95/81/01/746958101.db2.gz ZBJSKKYZSVKBJC-IKGGRYGDSA-N 1 1 331.464 0.780 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)cn1 ZINC000978978937 746988064 /nfs/dbraw/zinc/98/80/64/746988064.db2.gz WPOOGVGFIHOSAT-NNZMDNLPSA-N 1 1 335.411 0.867 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]2C1 ZINC001087998010 746999226 /nfs/dbraw/zinc/99/92/26/746999226.db2.gz MMVJOBZFTALYAI-OLZOCXBDSA-N 1 1 336.823 0.927 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002125381 747006492 /nfs/dbraw/zinc/00/64/92/747006492.db2.gz JJQIWNQALOAPBB-SJORKVTESA-N 1 1 348.491 0.553 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002125381 747006499 /nfs/dbraw/zinc/00/64/99/747006499.db2.gz JJQIWNQALOAPBB-SJORKVTESA-N 1 1 348.491 0.553 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nccc(OC)n2)C1 ZINC001059455943 747072358 /nfs/dbraw/zinc/07/23/58/747072358.db2.gz LVYLXHICDAKKIP-IHRRRGAJSA-N 1 1 329.404 0.642 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nccc(OC)n2)C1 ZINC001059455943 747072367 /nfs/dbraw/zinc/07/23/67/747072367.db2.gz LVYLXHICDAKKIP-IHRRRGAJSA-N 1 1 329.404 0.642 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001088032571 747115562 /nfs/dbraw/zinc/11/55/62/747115562.db2.gz UWXLUHTVXJZCCA-CABCVRRESA-N 1 1 331.416 0.329 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]2C1 ZINC001088051298 747155817 /nfs/dbraw/zinc/15/58/17/747155817.db2.gz YJGMLOUWSNIHQE-RSJGLCBASA-N 1 1 332.444 0.842 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cnco4)C[C@@H]3C2)C1=O ZINC001088058382 747167018 /nfs/dbraw/zinc/16/70/18/747167018.db2.gz VWAQKYZCFNEPRJ-ILXRZTDVSA-N 1 1 344.415 0.855 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]3C2)cc1 ZINC001088061891 747176664 /nfs/dbraw/zinc/17/66/64/747176664.db2.gz DJBKZMJAJCSAHM-XYPHTWIQSA-N 1 1 325.412 0.936 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)Cn3cnnn3)CC2)cc1F ZINC001002304380 747197036 /nfs/dbraw/zinc/19/70/36/747197036.db2.gz VLEVWSQJZSZZIO-UHFFFAOYSA-N 1 1 343.366 0.465 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(=O)CCC)C2)nn1 ZINC001098628858 747266218 /nfs/dbraw/zinc/26/62/18/747266218.db2.gz FROKWLLWZXVVDT-OAHLLOKOSA-N 1 1 348.451 0.634 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc4c3nnn4C)C[C@@H]2C1 ZINC001088083099 747291040 /nfs/dbraw/zinc/29/10/40/747291040.db2.gz ZVHWZQPQHQEWTM-KGLIPLIRSA-N 1 1 338.415 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](O)C(C)C)[C@@H]1CC ZINC000985047241 747300247 /nfs/dbraw/zinc/30/02/47/747300247.db2.gz HHSPORZTSYOKIX-VVLHAWIVSA-N 1 1 349.475 0.597 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](O)C(C)C)[C@@H]1CC ZINC000985047241 747300251 /nfs/dbraw/zinc/30/02/51/747300251.db2.gz HHSPORZTSYOKIX-VVLHAWIVSA-N 1 1 349.475 0.597 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001002473358 747402719 /nfs/dbraw/zinc/40/27/19/747402719.db2.gz DZAFRJCQOAUAOM-HOTGVXAUSA-N 1 1 334.464 0.448 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001002473358 747402722 /nfs/dbraw/zinc/40/27/22/747402722.db2.gz DZAFRJCQOAUAOM-HOTGVXAUSA-N 1 1 334.464 0.448 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001002495681 747433785 /nfs/dbraw/zinc/43/37/85/747433785.db2.gz HCJGBIQVMIMTTG-CZUORRHYSA-N 1 1 348.447 0.364 20 30 ECEDMO C[C@H]([NH2+]Cc1ccon1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979268397 747471373 /nfs/dbraw/zinc/47/13/73/747471373.db2.gz KOWGRRNACALEDU-XHDPSFHLSA-N 1 1 329.360 0.894 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@@]2(C)C1 ZINC000982429921 752184209 /nfs/dbraw/zinc/18/42/09/752184209.db2.gz UUGVKQFAXHLTHM-WQVCFCJDSA-N 1 1 340.855 0.933 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@@]2(C)C1 ZINC000982429921 752184213 /nfs/dbraw/zinc/18/42/13/752184213.db2.gz UUGVKQFAXHLTHM-WQVCFCJDSA-N 1 1 340.855 0.933 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)nc1 ZINC001029556598 747481053 /nfs/dbraw/zinc/48/10/53/747481053.db2.gz CORPNLNUAGYOAS-HLLBOEOZSA-N 1 1 338.411 0.630 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C[C@@H]2C1 ZINC001088169188 747584252 /nfs/dbraw/zinc/58/42/52/747584252.db2.gz LPWPHNMISYBIRT-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C[C@@H]2C1 ZINC001088169188 747584255 /nfs/dbraw/zinc/58/42/55/747584255.db2.gz LPWPHNMISYBIRT-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C[C@@H]2C1 ZINC001088169188 747584261 /nfs/dbraw/zinc/58/42/61/747584261.db2.gz LPWPHNMISYBIRT-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C[C@@H]2C1 ZINC001088169188 747584266 /nfs/dbraw/zinc/58/42/66/747584266.db2.gz LPWPHNMISYBIRT-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C[C@@H]2C1 ZINC001088169188 747584271 /nfs/dbraw/zinc/58/42/71/747584271.db2.gz LPWPHNMISYBIRT-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001087425276 747589094 /nfs/dbraw/zinc/58/90/94/747589094.db2.gz NWYNIMMIPTYBJX-RTBURBONSA-N 1 1 341.455 0.926 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001087425276 747589100 /nfs/dbraw/zinc/58/91/00/747589100.db2.gz NWYNIMMIPTYBJX-RTBURBONSA-N 1 1 341.455 0.926 20 30 ECEDMO Cc1ccnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979325400 747615647 /nfs/dbraw/zinc/61/56/47/747615647.db2.gz BLOVLGKUUKFWTK-ZBFHGGJFSA-N 1 1 328.416 0.904 20 30 ECEDMO CCn1ncc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979340842 747642714 /nfs/dbraw/zinc/64/27/14/747642714.db2.gz WWJVHIQGVUTIAV-CJNGLKHVSA-N 1 1 331.420 0.417 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)cn1 ZINC001088175255 747677975 /nfs/dbraw/zinc/67/79/75/747677975.db2.gz MTYZYVHXCITZRZ-HLLBOEOZSA-N 1 1 338.411 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]3C2)nc1 ZINC001088174225 747683147 /nfs/dbraw/zinc/68/31/47/747683147.db2.gz MJWFXXRLWHDNMF-YUELXQCFSA-N 1 1 326.400 0.331 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]Cc3cn(C)nn3)C2)C1 ZINC000979380185 747708002 /nfs/dbraw/zinc/70/80/02/747708002.db2.gz PKWADPWLTJUNHJ-UKRRQHHQSA-N 1 1 333.436 0.877 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001088202273 747734901 /nfs/dbraw/zinc/73/49/01/747734901.db2.gz SFTUCKMODUOPRB-KSZLIROESA-N 1 1 333.476 0.758 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001088202273 747734906 /nfs/dbraw/zinc/73/49/06/747734906.db2.gz SFTUCKMODUOPRB-KSZLIROESA-N 1 1 333.476 0.758 20 30 ECEDMO COCCc1noc(C[N@H+](C)C2CCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC000985338878 747740056 /nfs/dbraw/zinc/74/00/56/747740056.db2.gz MLUNHRLDXMGPIC-GFCCVEGCSA-N 1 1 335.408 0.841 20 30 ECEDMO COCCc1noc(C[N@@H+](C)C2CCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC000985338878 747740060 /nfs/dbraw/zinc/74/00/60/747740060.db2.gz MLUNHRLDXMGPIC-GFCCVEGCSA-N 1 1 335.408 0.841 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnc(C)[nH]2)C1=O ZINC001027793236 747748699 /nfs/dbraw/zinc/74/86/99/747748699.db2.gz FZNXVBUIQJWXLY-DZGCQCFKSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnc(C)[nH]2)C1=O ZINC001027793236 747748703 /nfs/dbraw/zinc/74/87/03/747748703.db2.gz FZNXVBUIQJWXLY-DZGCQCFKSA-N 1 1 331.420 0.699 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)c1ccc(C#N)nn1 ZINC001112181083 747760689 /nfs/dbraw/zinc/76/06/89/747760689.db2.gz CGIWIRNAUMYRGX-DZGCQCFKSA-N 1 1 330.436 0.831 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)c2cnc(C#N)cn2)C1 ZINC001112181163 747767705 /nfs/dbraw/zinc/76/77/05/747767705.db2.gz FROWYKJKXNTDOU-AWEZNQCLSA-N 1 1 330.436 0.975 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cncnc3)C2)C1=O ZINC001007229766 752209179 /nfs/dbraw/zinc/20/91/79/752209179.db2.gz ZQMGVHMOBMBKLD-HZPDHXFCSA-N 1 1 343.431 0.387 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cncnc3)C2)C1=O ZINC001007229766 752209183 /nfs/dbraw/zinc/20/91/83/752209183.db2.gz ZQMGVHMOBMBKLD-HZPDHXFCSA-N 1 1 343.431 0.387 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001088232997 747789063 /nfs/dbraw/zinc/78/90/63/747789063.db2.gz FEPUTDBWDJXZGU-HNNXBMFYSA-N 1 1 333.436 0.944 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001088232998 747789142 /nfs/dbraw/zinc/78/91/42/747789142.db2.gz FEPUTDBWDJXZGU-OAHLLOKOSA-N 1 1 333.436 0.944 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001088233115 747789911 /nfs/dbraw/zinc/78/99/11/747789911.db2.gz IGBXUZOTNIUCDY-INIZCTEOSA-N 1 1 345.447 0.782 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001088233606 747794593 /nfs/dbraw/zinc/79/45/93/747794593.db2.gz VJUULILYWGOJRW-GJZGRUSLSA-N 1 1 335.404 0.058 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)c1ccnc(C#N)n1 ZINC001112181796 747794602 /nfs/dbraw/zinc/79/46/02/747794602.db2.gz YPGUSRRNEXSGFE-UONOGXRCSA-N 1 1 330.436 0.831 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001088233723 747796809 /nfs/dbraw/zinc/79/68/09/747796809.db2.gz YFUVSACXQAOIFV-HNNXBMFYSA-N 1 1 333.436 0.944 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cnccn2)C1 ZINC000979429043 747797542 /nfs/dbraw/zinc/79/75/42/747797542.db2.gz WOVKHVVTNYAACF-DZKIICNBSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cnccn2)C1 ZINC000979429043 747797549 /nfs/dbraw/zinc/79/75/49/747797549.db2.gz WOVKHVVTNYAACF-DZKIICNBSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC001088233905 747801109 /nfs/dbraw/zinc/80/11/09/747801109.db2.gz CPRLDXZTDCBSCC-INIZCTEOSA-N 1 1 349.475 0.851 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000985368348 747807029 /nfs/dbraw/zinc/80/70/29/747807029.db2.gz VHOITHCOKGIJOG-HNNXBMFYSA-N 1 1 329.404 0.653 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001088237388 747837316 /nfs/dbraw/zinc/83/73/16/747837316.db2.gz SGZLSNSGPCMVAC-OAHLLOKOSA-N 1 1 348.451 0.729 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CCOCC2)C1 ZINC001002828368 747844042 /nfs/dbraw/zinc/84/40/42/747844042.db2.gz CTROUWFHXLLHCE-INIZCTEOSA-N 1 1 331.416 0.005 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=CCOCC2)C1 ZINC001002828368 747844049 /nfs/dbraw/zinc/84/40/49/747844049.db2.gz CTROUWFHXLLHCE-INIZCTEOSA-N 1 1 331.416 0.005 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C)n2cccc2)C1 ZINC001002830459 747847930 /nfs/dbraw/zinc/84/79/30/747847930.db2.gz SJCMKJOBEMAFCY-WBVHZDCISA-N 1 1 342.443 0.721 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C)n2cccc2)C1 ZINC001002830459 747847939 /nfs/dbraw/zinc/84/79/39/747847939.db2.gz SJCMKJOBEMAFCY-WBVHZDCISA-N 1 1 342.443 0.721 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001088237818 747850860 /nfs/dbraw/zinc/85/08/60/747850860.db2.gz DLYQTDIZEHNXIR-XHSDSOJGSA-N 1 1 333.432 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CC3(CC3)C2)C1 ZINC001002833777 747854367 /nfs/dbraw/zinc/85/43/67/747854367.db2.gz AAHDPWRUVFSNMM-INIZCTEOSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CC3(CC3)C2)C1 ZINC001002833777 747854374 /nfs/dbraw/zinc/85/43/74/747854374.db2.gz AAHDPWRUVFSNMM-INIZCTEOSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]nc2CC)C1 ZINC001002835106 747856512 /nfs/dbraw/zinc/85/65/12/747856512.db2.gz KJTIJGVGSDUKGJ-INIZCTEOSA-N 1 1 343.431 0.258 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]nc2CC)C1 ZINC001002835106 747856525 /nfs/dbraw/zinc/85/65/25/747856525.db2.gz KJTIJGVGSDUKGJ-INIZCTEOSA-N 1 1 343.431 0.258 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001088238314 747863990 /nfs/dbraw/zinc/86/39/90/747863990.db2.gz QVWZREUNDIDYND-XHSDSOJGSA-N 1 1 335.448 0.623 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCO[C@H]([C@H](C)[NH2+]CC3CC3)C2)CC1 ZINC000979457775 747879032 /nfs/dbraw/zinc/87/90/32/747879032.db2.gz MUYKXZNTWGRPBE-YJBOKZPZSA-N 1 1 333.476 0.947 20 30 ECEDMO C=C(Br)CN1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027804907 747917825 /nfs/dbraw/zinc/91/78/25/747917825.db2.gz JPSPDCSGIGFMRS-QWHCGFSZSA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(Br)CN1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027804907 747917828 /nfs/dbraw/zinc/91/78/28/747917828.db2.gz JPSPDCSGIGFMRS-QWHCGFSZSA-N 1 1 346.269 0.806 20 30 ECEDMO C#CCN1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001088239713 747935277 /nfs/dbraw/zinc/93/52/77/747935277.db2.gz DVBMWPHVCPOWGX-MSOLQXFVSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCN1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001088239713 747935282 /nfs/dbraw/zinc/93/52/82/747935282.db2.gz DVBMWPHVCPOWGX-MSOLQXFVSA-N 1 1 333.476 0.901 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCNC2=O)c1 ZINC001027812773 747959448 /nfs/dbraw/zinc/95/94/48/747959448.db2.gz ITTMEBUSDRRHBW-CYBMUJFWSA-N 1 1 330.392 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cncs2)C1 ZINC000979526385 747963352 /nfs/dbraw/zinc/96/33/52/747963352.db2.gz YEAQDJGKGGGDDZ-IHRRRGAJSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cncs2)C1 ZINC000979526385 747963358 /nfs/dbraw/zinc/96/33/58/747963358.db2.gz YEAQDJGKGGGDDZ-IHRRRGAJSA-N 1 1 346.456 0.865 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cn[nH]c3)C2)C1=O ZINC001029660794 748002339 /nfs/dbraw/zinc/00/23/39/748002339.db2.gz ZOIFNWHYMHGUNQ-ZFWWWQNUSA-N 1 1 331.420 0.591 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000979578271 748071936 /nfs/dbraw/zinc/07/19/36/748071936.db2.gz GNGRTDKIJVTNSS-XIRDDKMYSA-N 1 1 340.427 0.782 20 30 ECEDMO CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001029690222 748077836 /nfs/dbraw/zinc/07/78/36/748077836.db2.gz FOHVXLZCBJGXST-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO CN1CCC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001029690892 748078813 /nfs/dbraw/zinc/07/88/13/748078813.db2.gz KEUWQVBPBSKWBS-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001003035999 748102166 /nfs/dbraw/zinc/10/21/66/748102166.db2.gz IUONGSXOJKVZDT-OAHLLOKOSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000979609557 748116812 /nfs/dbraw/zinc/11/68/12/748116812.db2.gz YXRKEMKQKWKOSY-KKUMJFAQSA-N 1 1 335.448 0.684 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000979609557 748116814 /nfs/dbraw/zinc/11/68/14/748116814.db2.gz YXRKEMKQKWKOSY-KKUMJFAQSA-N 1 1 335.448 0.684 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979610322 748118856 /nfs/dbraw/zinc/11/88/56/748118856.db2.gz BLFJQPGTGVGPCQ-MQMHXKEQSA-N 1 1 340.387 0.716 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979613552 748121664 /nfs/dbraw/zinc/12/16/64/748121664.db2.gz PPBJOFPUXJRAKO-YDHLFZDLSA-N 1 1 343.431 0.995 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@H]1CCC(=O)NC1=O ZINC001029708640 748122610 /nfs/dbraw/zinc/12/26/10/748122610.db2.gz VGMMCZMKIIAIBX-FZMZJTMJSA-N 1 1 343.387 0.085 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001075855102 748145388 /nfs/dbraw/zinc/14/53/88/748145388.db2.gz CSDRCZQHORDQTH-HRCADAONSA-N 1 1 333.432 0.037 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979666429 748188017 /nfs/dbraw/zinc/18/80/17/748188017.db2.gz UUEZWWRYXUOODH-NCZKRNLISA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979666427 748188682 /nfs/dbraw/zinc/18/86/82/748188682.db2.gz UUEZWWRYXUOODH-DUPGQFARSA-N 1 1 343.431 0.709 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2coc(C)n2)C1 ZINC000979674599 748204851 /nfs/dbraw/zinc/20/48/51/748204851.db2.gz QNLILCKBSXRHTQ-DZKIICNBSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2coc(C)n2)C1 ZINC000979674599 748204857 /nfs/dbraw/zinc/20/48/57/748204857.db2.gz QNLILCKBSXRHTQ-DZKIICNBSA-N 1 1 344.415 0.705 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C[C@@H]2CCc3ncnn32)[nH]1 ZINC001027830883 748271476 /nfs/dbraw/zinc/27/14/76/748271476.db2.gz IPYZMBOBGXOKHE-KBPBESRZSA-N 1 1 339.403 0.860 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001003185865 748272571 /nfs/dbraw/zinc/27/25/71/748272571.db2.gz LPIJIVDNIMQHOP-NSHDSACASA-N 1 1 339.827 0.879 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCNC(=O)C3CCC3)C2)nn1 ZINC001105344220 748289574 /nfs/dbraw/zinc/28/95/74/748289574.db2.gz SSHFWGXJTLAYDB-UHFFFAOYSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cncn3C)CC2)C1=O ZINC000985525001 748403992 /nfs/dbraw/zinc/40/39/92/748403992.db2.gz FQLGULUFTKUBDB-OAHLLOKOSA-N 1 1 345.447 0.743 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000979830665 748486686 /nfs/dbraw/zinc/48/66/86/748486686.db2.gz SYUSBZJMIPBJCX-GVDBMIGSSA-N 1 1 340.427 0.958 20 30 ECEDMO CC#CCNCc1cn([C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001098728411 748520740 /nfs/dbraw/zinc/52/07/40/748520740.db2.gz OSUFYEFFUCCWEC-WBVHZDCISA-N 1 1 344.463 0.649 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029821573 748598353 /nfs/dbraw/zinc/59/83/53/748598353.db2.gz OLRPRYGUZMGVLU-JKSUJKDBSA-N 1 1 341.415 0.520 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985607083 748733671 /nfs/dbraw/zinc/73/36/71/748733671.db2.gz DBFKHLRYPFQBEF-INIZCTEOSA-N 1 1 341.415 0.662 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985609327 748741910 /nfs/dbraw/zinc/74/19/10/748741910.db2.gz AHIMNRRIQGUMLZ-MRXNPFEDSA-N 1 1 341.415 0.662 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@H]1COC(=O)N1 ZINC001027857902 748754530 /nfs/dbraw/zinc/75/45/30/748754530.db2.gz ALRKWBIGGPLOMO-HZPDHXFCSA-N 1 1 327.384 0.727 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@H]1COC(=O)N1 ZINC001027857902 748754535 /nfs/dbraw/zinc/75/45/35/748754535.db2.gz ALRKWBIGGPLOMO-HZPDHXFCSA-N 1 1 327.384 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000979968210 748761269 /nfs/dbraw/zinc/76/12/69/748761269.db2.gz RBBLXJNNFDPJPI-VGWMRTNUSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000979968210 748761273 /nfs/dbraw/zinc/76/12/73/748761273.db2.gz RBBLXJNNFDPJPI-VGWMRTNUSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000979969194 748763001 /nfs/dbraw/zinc/76/30/01/748763001.db2.gz YQOAUPOWITUPKF-VGWMRTNUSA-N 1 1 329.444 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000979969194 748763004 /nfs/dbraw/zinc/76/30/04/748763004.db2.gz YQOAUPOWITUPKF-VGWMRTNUSA-N 1 1 329.444 0.895 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nc4ncc(C)cn4n3)C[C@H]2C1 ZINC000980001006 748807316 /nfs/dbraw/zinc/80/73/16/748807316.db2.gz NPCLNCBYORRVOP-KKUMJFAQSA-N 1 1 338.415 0.896 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001059622591 748857840 /nfs/dbraw/zinc/85/78/40/748857840.db2.gz LBDFALRWPARBJE-INIZCTEOSA-N 1 1 328.416 0.960 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3ccncn3)CC2)C1=O ZINC000985708573 748917477 /nfs/dbraw/zinc/91/74/77/748917477.db2.gz HGJDZOFJYWVELO-MRXNPFEDSA-N 1 1 343.431 0.800 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 ZINC000980080861 748949795 /nfs/dbraw/zinc/94/97/95/748949795.db2.gz CAHVKPIOIHYPIY-RRFJBIMHSA-N 1 1 333.436 0.375 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027878510 748982452 /nfs/dbraw/zinc/98/24/52/748982452.db2.gz DDEBKBNPGLDMKJ-KBPBESRZSA-N 1 1 329.404 0.367 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)cc1 ZINC000980148628 749070011 /nfs/dbraw/zinc/07/00/11/749070011.db2.gz AFWLOSPCJNJYSF-YESZJQIVSA-N 1 1 325.412 0.984 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001059645425 749089080 /nfs/dbraw/zinc/08/90/80/749089080.db2.gz BLLRSODRCFOAQR-SJORKVTESA-N 1 1 349.475 0.723 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C[C@@H]2C1 ZINC000980164720 749098024 /nfs/dbraw/zinc/09/80/24/749098024.db2.gz UUWHGLHZRFFCPM-XHSDSOJGSA-N 1 1 334.464 0.211 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000985788109 749101714 /nfs/dbraw/zinc/10/17/14/749101714.db2.gz WFWVLSPAPQETDU-UHFFFAOYSA-N 1 1 343.493 0.216 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001059648664 749110238 /nfs/dbraw/zinc/11/02/38/749110238.db2.gz WXKDRCDGEUCUJP-INIZCTEOSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCOC)C[C@H]3C2)nn1 ZINC000980192790 749126827 /nfs/dbraw/zinc/12/68/27/749126827.db2.gz VIXLYSCVZGNCJP-RRFJBIMHSA-N 1 1 333.436 0.941 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC000980206195 749182728 /nfs/dbraw/zinc/18/27/28/749182728.db2.gz GGVPLDICOGABRS-SOUVJXGZSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CCN1CCN(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000985826396 749185509 /nfs/dbraw/zinc/18/55/09/749185509.db2.gz XYFLJMZGHNZOLE-MRXNPFEDSA-N 1 1 349.479 0.148 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]2C1 ZINC000980207771 749186634 /nfs/dbraw/zinc/18/66/34/749186634.db2.gz LDBYWYQUSFXCNB-SDDRHHMPSA-N 1 1 348.403 0.913 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC000980246484 749234881 /nfs/dbraw/zinc/23/48/81/749234881.db2.gz QLQYOKADMUEDHK-SOUVJXGZSA-N 1 1 348.447 0.721 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccnc3C(N)=O)C[C@@H]2C1 ZINC000980248957 749237519 /nfs/dbraw/zinc/23/75/19/749237519.db2.gz XFRWCCKHWLLWOE-BFHYXJOUSA-N 1 1 326.400 0.644 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000980240535 749244595 /nfs/dbraw/zinc/24/45/95/749244595.db2.gz DIZFGCZSFBJXPC-BFHYXJOUSA-N 1 1 334.420 0.331 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC000980250190 749255484 /nfs/dbraw/zinc/25/54/84/749255484.db2.gz ZCTZBCXJTPQMFO-IHRRRGAJSA-N 1 1 343.431 0.982 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C(N)=O)nc3)C[C@@H]2C1 ZINC000980272059 749266189 /nfs/dbraw/zinc/26/61/89/749266189.db2.gz FOSCZVUQWJFRGH-RRFJBIMHSA-N 1 1 326.400 0.644 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC000980265935 749274335 /nfs/dbraw/zinc/27/43/35/749274335.db2.gz WVQXKJVGOCUGKY-GXTWGEPZSA-N 1 1 349.884 0.744 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC000980265935 749274340 /nfs/dbraw/zinc/27/43/40/749274340.db2.gz WVQXKJVGOCUGKY-GXTWGEPZSA-N 1 1 349.884 0.744 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)[C@@H]2CCOC2)CC1 ZINC000980313816 749353651 /nfs/dbraw/zinc/35/36/51/749353651.db2.gz WPLKLWTWQVBGIT-VXLLPVPCSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)[C@@H]2CCOC2)CC1 ZINC000980313816 749353657 /nfs/dbraw/zinc/35/36/57/749353657.db2.gz WPLKLWTWQVBGIT-VXLLPVPCSA-N 1 1 347.459 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)cn1 ZINC001029891159 749459878 /nfs/dbraw/zinc/45/98/78/749459878.db2.gz BYNOMNKGQHOEGB-XJKSGUPXSA-N 1 1 326.400 0.345 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@H]2CCC[N@H+]2Cc2nnnn2C)CC1 ZINC001004394683 749462487 /nfs/dbraw/zinc/46/24/87/749462487.db2.gz HEDXRFDPODEUIS-TZMCWYRMSA-N 1 1 331.424 0.573 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001029896573 749499999 /nfs/dbraw/zinc/49/99/99/749499999.db2.gz GPIGGEPOVNUCDL-CRAIPNDOSA-N 1 1 339.439 0.879 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001004460295 749527629 /nfs/dbraw/zinc/52/76/29/749527629.db2.gz YVBSIGVNTNUWQF-LSDHHAIUSA-N 1 1 348.447 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnsn3)[C@H]2C)C1=O ZINC001088481230 749598436 /nfs/dbraw/zinc/59/84/36/749598436.db2.gz SOJBPLKNHAAIMY-MDZLAQPJSA-N 1 1 335.433 0.518 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnsn3)[C@H]2C)C1=O ZINC001088481230 749598443 /nfs/dbraw/zinc/59/84/43/749598443.db2.gz SOJBPLKNHAAIMY-MDZLAQPJSA-N 1 1 335.433 0.518 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)Cc3cnn(C)c3)C2)CC1 ZINC000980477189 749628817 /nfs/dbraw/zinc/62/88/17/749628817.db2.gz CJFOEADJNFLOMS-GOSISDBHSA-N 1 1 343.475 0.798 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cnc(C)cn1 ZINC001027940385 749633839 /nfs/dbraw/zinc/63/38/39/749633839.db2.gz LTHOOYSZEZIBLZ-MSOLQXFVSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cnc(C)cn1 ZINC001027940385 749633844 /nfs/dbraw/zinc/63/38/44/749633844.db2.gz LTHOOYSZEZIBLZ-MSOLQXFVSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cnc(C)cn1 ZINC001027940385 749633849 /nfs/dbraw/zinc/63/38/49/749633849.db2.gz LTHOOYSZEZIBLZ-MSOLQXFVSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cnc(C)cn1 ZINC001027940385 749633854 /nfs/dbraw/zinc/63/38/54/749633854.db2.gz LTHOOYSZEZIBLZ-MSOLQXFVSA-N 1 1 341.459 0.963 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C)nn1 ZINC000986181539 749639605 /nfs/dbraw/zinc/63/96/05/749639605.db2.gz GSPCBMKOHYLKPL-NHYWBVRUSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@@H]3CCOC3)C2)CC1 ZINC000980479891 749642283 /nfs/dbraw/zinc/64/22/83/749642283.db2.gz YYGYQSNVDCMOHJ-WMZOPIPTSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([N@@H+](C)C[C@@H]3CCOC3)C2)CC1 ZINC000980479891 749642285 /nfs/dbraw/zinc/64/22/85/749642285.db2.gz YYGYQSNVDCMOHJ-WMZOPIPTSA-N 1 1 333.476 0.901 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC000986183309 749642503 /nfs/dbraw/zinc/64/25/03/749642503.db2.gz KWDRIBAEBQROIX-SMDDNHRTSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001004573778 749645618 /nfs/dbraw/zinc/64/56/18/749645618.db2.gz AUJLMHYHHZQPCF-INIZCTEOSA-N 1 1 345.443 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001004610425 749682858 /nfs/dbraw/zinc/68/28/58/749682858.db2.gz PPQSOXCAMOMFMS-INIZCTEOSA-N 1 1 345.447 0.226 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2c(C)ncn2C)C1=O ZINC001027953200 749825879 /nfs/dbraw/zinc/82/58/79/749825879.db2.gz YRNDNUKRUKBESW-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c(C)ncn2C)C1=O ZINC001027953200 749825885 /nfs/dbraw/zinc/82/58/85/749825885.db2.gz YRNDNUKRUKBESW-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c(C)ncn2C)C1=O ZINC001027953199 749825937 /nfs/dbraw/zinc/82/59/37/749825937.db2.gz YRNDNUKRUKBESW-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c(C)ncn2C)C1=O ZINC001027953199 749825943 /nfs/dbraw/zinc/82/59/43/749825943.db2.gz YRNDNUKRUKBESW-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088495358 749989859 /nfs/dbraw/zinc/98/98/59/749989859.db2.gz PIHRLMJRKSFVTA-HYVNUMGLSA-N 1 1 325.412 0.896 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088495358 749989863 /nfs/dbraw/zinc/98/98/63/749989863.db2.gz PIHRLMJRKSFVTA-HYVNUMGLSA-N 1 1 325.412 0.896 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058844049 750039477 /nfs/dbraw/zinc/03/94/77/750039477.db2.gz RPRDMEPCRQPKRU-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)n1 ZINC001059726302 750042900 /nfs/dbraw/zinc/04/29/00/750042900.db2.gz VIUYJUCKCDBQSA-BYNSBNAKSA-N 1 1 340.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)c3ncc[nH]3)CC2)C1=O ZINC001029963593 750109635 /nfs/dbraw/zinc/10/96/35/750109635.db2.gz BHOUPZUCJTYTJP-OAHLLOKOSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1C(F)(F)F ZINC001112207883 750119349 /nfs/dbraw/zinc/11/93/49/750119349.db2.gz JUYWGAQEHIQVBU-GHMZBOCLSA-N 1 1 340.367 0.423 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(OCC#N)cc3)C2)C1 ZINC001030182788 762010384 /nfs/dbraw/zinc/01/03/84/762010384.db2.gz NSGCYQQSSVIXHR-KRWDZBQOSA-N 1 1 344.415 0.220 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(OCC#N)cc3)C2)C1 ZINC001030182788 762010396 /nfs/dbraw/zinc/01/03/96/762010396.db2.gz NSGCYQQSSVIXHR-KRWDZBQOSA-N 1 1 344.415 0.220 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058848627 750160844 /nfs/dbraw/zinc/16/08/44/750160844.db2.gz ICSOMGPIACTIER-CABCVRRESA-N 1 1 325.453 0.478 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058849386 750170907 /nfs/dbraw/zinc/17/09/07/750170907.db2.gz SSRRHOQTYISGFG-HUUCEWRRSA-N 1 1 337.464 0.171 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058849385 750171024 /nfs/dbraw/zinc/17/10/24/750171024.db2.gz SSRRHOQTYISGFG-GJZGRUSLSA-N 1 1 337.464 0.171 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ocnc3C)[C@H]2C)C1=O ZINC001088509552 750282909 /nfs/dbraw/zinc/28/29/09/750282909.db2.gz WZVYZBYDGONJAO-HZSPNIEDSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ocnc3C)[C@H]2C)C1=O ZINC001088509552 750282917 /nfs/dbraw/zinc/28/29/17/750282917.db2.gz WZVYZBYDGONJAO-HZSPNIEDSA-N 1 1 332.404 0.963 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029990194 750421125 /nfs/dbraw/zinc/42/11/25/750421125.db2.gz MWSZUBHPYOVEFJ-UHFFFAOYSA-N 1 1 332.379 0.853 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCNC(=O)CC3)CC2)[nH]1 ZINC000980990675 750424807 /nfs/dbraw/zinc/42/48/07/750424807.db2.gz BELCYWGWQMOGRA-AWEZNQCLSA-N 1 1 343.431 0.951 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001028068946 750470902 /nfs/dbraw/zinc/47/09/02/750470902.db2.gz YZXJPNDVIRKIFI-OLZOCXBDSA-N 1 1 332.408 0.094 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001028068946 750470908 /nfs/dbraw/zinc/47/09/08/750470908.db2.gz YZXJPNDVIRKIFI-OLZOCXBDSA-N 1 1 332.408 0.094 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC(=O)NCC)C2)nn1 ZINC001098640175 750477818 /nfs/dbraw/zinc/47/78/18/750477818.db2.gz FSOQDLMITCPWQW-OAHLLOKOSA-N 1 1 348.451 0.634 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cncnc3)[C@H]2C)C1=O ZINC001088545162 750487490 /nfs/dbraw/zinc/48/74/90/750487490.db2.gz RAKXYNGXECWJTI-KBMXLJTQSA-N 1 1 343.431 0.385 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001028073813 750499088 /nfs/dbraw/zinc/49/90/88/750499088.db2.gz YLTBHKLVCUBCSM-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001028073813 750499092 /nfs/dbraw/zinc/49/90/92/750499092.db2.gz YLTBHKLVCUBCSM-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO Cc1nsc(N(C)CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001105355530 750521599 /nfs/dbraw/zinc/52/15/99/750521599.db2.gz QCPWDLDPYVWWTQ-CYBMUJFWSA-N 1 1 337.449 0.548 20 30 ECEDMO Cc1nsc(N(C)CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001105355530 750521603 /nfs/dbraw/zinc/52/16/03/750521603.db2.gz QCPWDLDPYVWWTQ-CYBMUJFWSA-N 1 1 337.449 0.548 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cc(C)n[nH]2)C1 ZINC001005762188 750605987 /nfs/dbraw/zinc/60/59/87/750605987.db2.gz SGESVORBDLIUCJ-CJNGLKHVSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cc(C)n[nH]2)C1 ZINC001005762188 750605991 /nfs/dbraw/zinc/60/59/91/750605991.db2.gz SGESVORBDLIUCJ-CJNGLKHVSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccn(C)n2)CC1 ZINC000981361674 750625338 /nfs/dbraw/zinc/62/53/38/750625338.db2.gz XTRJEOCZWIVMMO-KRWDZBQOSA-N 1 1 329.448 0.552 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccn(C)n2)CC1 ZINC000981361674 750625342 /nfs/dbraw/zinc/62/53/42/750625342.db2.gz XTRJEOCZWIVMMO-KRWDZBQOSA-N 1 1 329.448 0.552 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000981459241 750716411 /nfs/dbraw/zinc/71/64/11/750716411.db2.gz PQCWYMMICDDBHX-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC000981549428 750794411 /nfs/dbraw/zinc/79/44/11/750794411.db2.gz GBSQTSBVZZGSDT-UHFFFAOYSA-N 1 1 328.372 0.584 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC000981549428 750794415 /nfs/dbraw/zinc/79/44/15/750794415.db2.gz GBSQTSBVZZGSDT-UHFFFAOYSA-N 1 1 328.372 0.584 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000981625990 750898491 /nfs/dbraw/zinc/89/84/91/750898491.db2.gz XEOPWUZQYTWCAF-HZMVEIRTSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000981625990 750898498 /nfs/dbraw/zinc/89/84/98/750898498.db2.gz XEOPWUZQYTWCAF-HZMVEIRTSA-N 1 1 347.459 0.522 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)ccc1F ZINC001028109343 750911650 /nfs/dbraw/zinc/91/16/50/750911650.db2.gz HDENSLCVVNIXQZ-DZGCQCFKSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)ccc1F ZINC001028109343 750911656 /nfs/dbraw/zinc/91/16/56/750911656.db2.gz HDENSLCVVNIXQZ-DZGCQCFKSA-N 1 1 345.378 0.459 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC000981721917 751012923 /nfs/dbraw/zinc/01/29/23/751012923.db2.gz QCALKZVTDYUJHJ-UHFFFAOYSA-N 1 1 344.423 0.808 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2)cc1 ZINC000981731813 751014531 /nfs/dbraw/zinc/01/45/31/751014531.db2.gz PLKCRXGGHPIONL-MRXNPFEDSA-N 1 1 339.395 0.621 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)cc1 ZINC000981731813 751014539 /nfs/dbraw/zinc/01/45/39/751014539.db2.gz PLKCRXGGHPIONL-MRXNPFEDSA-N 1 1 339.395 0.621 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)C2(n3cnnn3)CCCCC2)CC1 ZINC000981742720 751039062 /nfs/dbraw/zinc/03/90/62/751039062.db2.gz KBVGIOYNQWAZGV-UHFFFAOYSA-N 1 1 330.436 0.890 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)C2(n3cnnn3)CCCCC2)CC1 ZINC000981742720 751039070 /nfs/dbraw/zinc/03/90/70/751039070.db2.gz KBVGIOYNQWAZGV-UHFFFAOYSA-N 1 1 330.436 0.890 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001006126112 751046489 /nfs/dbraw/zinc/04/64/89/751046489.db2.gz MVLINDYUTVUNBM-DZGCQCFKSA-N 1 1 340.427 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)[C@H]2CCOC2)C1 ZINC001006195698 751110519 /nfs/dbraw/zinc/11/05/19/751110519.db2.gz GFZDTLJLOOKDKO-DZKIICNBSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)[C@H]2CCOC2)C1 ZINC001006195698 751110521 /nfs/dbraw/zinc/11/05/21/751110521.db2.gz GFZDTLJLOOKDKO-DZKIICNBSA-N 1 1 333.432 0.084 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC000981801218 751117166 /nfs/dbraw/zinc/11/71/66/751117166.db2.gz QLZXPAXCYIJELN-MRXNPFEDSA-N 1 1 349.475 0.982 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c(C#N)cn1 ZINC001059824716 751124319 /nfs/dbraw/zinc/12/43/19/751124319.db2.gz JECVHPLOWDMJTO-KSYCFECVSA-N 1 1 327.432 0.940 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N(C)C)C2 ZINC000981819166 751135686 /nfs/dbraw/zinc/13/56/86/751135686.db2.gz QIHVPAMUQNCFBV-INIZCTEOSA-N 1 1 346.475 0.097 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)NC2CC2)c1 ZINC001028129727 751149921 /nfs/dbraw/zinc/14/99/21/751149921.db2.gz UWIYDIVQQUXKCH-DYVFJYSZSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2CC2)c1 ZINC001028129727 751149924 /nfs/dbraw/zinc/14/99/24/751149924.db2.gz UWIYDIVQQUXKCH-DYVFJYSZSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000981853932 751203643 /nfs/dbraw/zinc/20/36/43/751203643.db2.gz YMQXEJAVYJHAIE-CQSZACIVSA-N 1 1 343.431 0.494 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3sccc3-n3cnnn3)C2)C1 ZINC000981870875 751225496 /nfs/dbraw/zinc/22/54/96/751225496.db2.gz FAUHDJNFWSFDLK-UHFFFAOYSA-N 1 1 342.428 0.895 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1=O ZINC000981879622 751231148 /nfs/dbraw/zinc/23/11/48/751231148.db2.gz ICMWJWFJZBRKDM-AWEZNQCLSA-N 1 1 347.419 0.061 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1=O ZINC000981879622 751231152 /nfs/dbraw/zinc/23/11/52/751231152.db2.gz ICMWJWFJZBRKDM-AWEZNQCLSA-N 1 1 347.419 0.061 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cnsn2)C1 ZINC001006315345 751235736 /nfs/dbraw/zinc/23/57/36/751235736.db2.gz FWCCIPBHYVMRLW-RISCZKNCSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cnsn2)C1 ZINC001006315345 751235741 /nfs/dbraw/zinc/23/57/41/751235741.db2.gz FWCCIPBHYVMRLW-RISCZKNCSA-N 1 1 347.444 0.212 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901185 751257529 /nfs/dbraw/zinc/25/75/29/751257529.db2.gz DJHBLDIEBVQYTL-WUJZJPHMSA-N 1 1 331.460 0.960 20 30 ECEDMO C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901185 751257536 /nfs/dbraw/zinc/25/75/36/751257536.db2.gz DJHBLDIEBVQYTL-WUJZJPHMSA-N 1 1 331.460 0.960 20 30 ECEDMO C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901185 751257540 /nfs/dbraw/zinc/25/75/40/751257540.db2.gz DJHBLDIEBVQYTL-WUJZJPHMSA-N 1 1 331.460 0.960 20 30 ECEDMO N#CCN1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981902084 751258374 /nfs/dbraw/zinc/25/83/74/751258374.db2.gz ZWWYWWCSDLQQQU-SWKXRBFHSA-N 1 1 330.432 0.298 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3c(C)c(C)nn(C)c3=O)C2)C1 ZINC000981927706 751283703 /nfs/dbraw/zinc/28/37/03/751283703.db2.gz ICZMWHBMKWSJRN-UHFFFAOYSA-N 1 1 328.416 0.568 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccnnc2)C1=O ZINC001028160970 751317822 /nfs/dbraw/zinc/31/78/22/751317822.db2.gz FNUPLVLFVXMBKI-CABCVRRESA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccnnc2)C1=O ZINC001028160970 751317826 /nfs/dbraw/zinc/31/78/26/751317826.db2.gz FNUPLVLFVXMBKI-CABCVRRESA-N 1 1 329.404 0.458 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1nc(C)cc(C#N)n1 ZINC001126355243 752381672 /nfs/dbraw/zinc/38/16/72/752381672.db2.gz GFCTUAUVSNDKFL-CQSZACIVSA-N 1 1 346.435 0.177 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CCc2nccn2C)[C@H](OC)C1 ZINC001213202738 752390944 /nfs/dbraw/zinc/39/09/44/752390944.db2.gz AZTMQLZIPVBQBC-HUUCEWRRSA-N 1 1 336.436 0.371 20 30 ECEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@H](OC)C1 ZINC001213216915 752449936 /nfs/dbraw/zinc/44/99/36/752449936.db2.gz ADRCTELDBOHOTL-MGPQQGTHSA-N 1 1 347.481 0.225 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nncs2)C1 ZINC001007519401 752475894 /nfs/dbraw/zinc/47/58/94/752475894.db2.gz QHTLRONSESUKGZ-KGLIPLIRSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nncs2)C1 ZINC001007519401 752475898 /nfs/dbraw/zinc/47/58/98/752475898.db2.gz QHTLRONSESUKGZ-KGLIPLIRSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccnn2C)C1 ZINC001007520047 752477052 /nfs/dbraw/zinc/47/70/52/752477052.db2.gz WXUMYFFRKGIJLT-WBVHZDCISA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccnn2C)C1 ZINC001007520047 752477058 /nfs/dbraw/zinc/47/70/58/752477058.db2.gz WXUMYFFRKGIJLT-WBVHZDCISA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ncccn2)C1 ZINC001007519725 752477144 /nfs/dbraw/zinc/47/71/44/752477144.db2.gz UYGYGLUNEHFLKI-CVEARBPZSA-N 1 1 327.432 0.655 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ncccn2)C1 ZINC001007519725 752477148 /nfs/dbraw/zinc/47/71/48/752477148.db2.gz UYGYGLUNEHFLKI-CVEARBPZSA-N 1 1 327.432 0.655 20 30 ECEDMO N#Cc1nccc(N[C@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001058986766 752616879 /nfs/dbraw/zinc/61/68/79/752616879.db2.gz KFLIZQGIKJJQCY-STQMWFEESA-N 1 1 337.387 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=COCCC2)[C@@H]1C ZINC000988737619 752639899 /nfs/dbraw/zinc/63/98/99/752639899.db2.gz CPWNTDCDGZBDBG-PVAVHDDUSA-N 1 1 345.443 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=COCCC2)[C@@H]1C ZINC000988737619 752639901 /nfs/dbraw/zinc/63/99/01/752639901.db2.gz CPWNTDCDGZBDBG-PVAVHDDUSA-N 1 1 345.443 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cn(C)nc3C)C2)C1=O ZINC001028454386 752699047 /nfs/dbraw/zinc/69/90/47/752699047.db2.gz VAKPWSFFBGEAAK-ZBFHGGJFSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001212092957 752714488 /nfs/dbraw/zinc/71/44/88/752714488.db2.gz YSFXBFQOVWDQGG-QLFBSQMISA-N 1 1 339.436 0.063 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001212092957 752714497 /nfs/dbraw/zinc/71/44/97/752714497.db2.gz YSFXBFQOVWDQGG-QLFBSQMISA-N 1 1 339.436 0.063 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1OC ZINC001212085208 752717091 /nfs/dbraw/zinc/71/70/91/752717091.db2.gz OLHILSMLMZXNIF-HZPDHXFCSA-N 1 1 336.436 0.681 20 30 ECEDMO Cn1cc(CC[N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001028467341 752760135 /nfs/dbraw/zinc/76/01/35/752760135.db2.gz ASBSGSKKGBAJAT-CYBMUJFWSA-N 1 1 326.404 0.914 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001028468334 752764402 /nfs/dbraw/zinc/76/44/02/752764402.db2.gz SUVDMADPDOFKJH-CYBMUJFWSA-N 1 1 329.404 0.560 20 30 ECEDMO COc1nccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028469555 752766556 /nfs/dbraw/zinc/76/65/56/752766556.db2.gz ALXHUQZVVDZYPH-LBPRGKRZSA-N 1 1 340.387 0.937 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)Cc1c[nH]cn1)CCO2 ZINC001007685081 752786452 /nfs/dbraw/zinc/78/64/52/752786452.db2.gz MUXCGORUQLCAKM-GOSISDBHSA-N 1 1 346.431 0.994 20 30 ECEDMO COCCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1nccnc1C#N ZINC001126372758 752796062 /nfs/dbraw/zinc/79/60/62/752796062.db2.gz ITXNSZIHIPDEFS-CQSZACIVSA-N 1 1 346.435 0.259 20 30 ECEDMO COCCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1cncc(C#N)n1 ZINC001126372960 752809486 /nfs/dbraw/zinc/80/94/86/752809486.db2.gz MPBZJAZSCXFJTO-CQSZACIVSA-N 1 1 346.435 0.259 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028486194 752821977 /nfs/dbraw/zinc/82/19/77/752821977.db2.gz CGGSXRYHOVUQPR-CJNGLKHVSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001028490339 752830255 /nfs/dbraw/zinc/83/02/55/752830255.db2.gz KGSRAFDGXYJXCT-STQMWFEESA-N 1 1 346.269 0.664 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001028490339 752830256 /nfs/dbraw/zinc/83/02/56/752830256.db2.gz KGSRAFDGXYJXCT-STQMWFEESA-N 1 1 346.269 0.664 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028487325 752832991 /nfs/dbraw/zinc/83/29/91/752832991.db2.gz VFHLHPMCOAXEIM-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)[C@@H](O)C1 ZINC001083459477 752876853 /nfs/dbraw/zinc/87/68/53/752876853.db2.gz MPEZTNZPGKILKZ-BMFZPTHFSA-N 1 1 332.375 0.561 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)[C@@H](O)C1 ZINC001083459477 752876857 /nfs/dbraw/zinc/87/68/57/752876857.db2.gz MPEZTNZPGKILKZ-BMFZPTHFSA-N 1 1 332.375 0.561 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C(C)(C)C)CN1C(=O)C#CC1CC1 ZINC000988826080 752939436 /nfs/dbraw/zinc/93/94/36/752939436.db2.gz NFMHPSDFAHSQPE-OCCSQVGLSA-N 1 1 330.436 0.921 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001028508571 752983469 /nfs/dbraw/zinc/98/34/69/752983469.db2.gz UZNSUEJABCHURB-SNVBAGLBSA-N 1 1 344.209 0.939 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001028508571 752983472 /nfs/dbraw/zinc/98/34/72/752983472.db2.gz UZNSUEJABCHURB-SNVBAGLBSA-N 1 1 344.209 0.939 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001007858623 752998852 /nfs/dbraw/zinc/99/88/52/752998852.db2.gz IZVFDHVQCMETQS-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001007858623 752998855 /nfs/dbraw/zinc/99/88/55/752998855.db2.gz IZVFDHVQCMETQS-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000982606470 753033306 /nfs/dbraw/zinc/03/33/06/753033306.db2.gz GOWFGXDIHHXVDC-GXTWGEPZSA-N 1 1 329.404 0.416 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001028519986 753048104 /nfs/dbraw/zinc/04/81/04/753048104.db2.gz WZHNSPNKFIGUOY-LSDHHAIUSA-N 1 1 328.372 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2ccn[nH]2)C(C)(C)C1 ZINC001007926857 753084378 /nfs/dbraw/zinc/08/43/78/753084378.db2.gz OMEZQWJILGCIRB-GJZGRUSLSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2ccn[nH]2)C(C)(C)C1 ZINC001007926857 753084382 /nfs/dbraw/zinc/08/43/82/753084382.db2.gz OMEZQWJILGCIRB-GJZGRUSLSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC000982645045 753201870 /nfs/dbraw/zinc/20/18/70/753201870.db2.gz OTDNKDNKOCQIRY-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC000982645045 753201874 /nfs/dbraw/zinc/20/18/74/753201874.db2.gz OTDNKDNKOCQIRY-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000982654900 753212367 /nfs/dbraw/zinc/21/23/67/753212367.db2.gz UWFOOZKGGLLHDF-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000982654900 753212371 /nfs/dbraw/zinc/21/23/71/753212371.db2.gz UWFOOZKGGLLHDF-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001008028603 753214316 /nfs/dbraw/zinc/21/43/16/753214316.db2.gz ZUBNROPVJRGATL-KSZLIROESA-N 1 1 349.475 0.470 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000982658238 753231344 /nfs/dbraw/zinc/23/13/44/753231344.db2.gz UQELCGYEGBQOKO-OLZOCXBDSA-N 1 1 329.404 0.416 20 30 ECEDMO CN1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001051493412 762200878 /nfs/dbraw/zinc/20/08/78/762200878.db2.gz JUGJFPYYOOAODK-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC000938110702 753309120 /nfs/dbraw/zinc/30/91/20/753309120.db2.gz VMMXBMWIGHYZBH-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC000938110702 753309123 /nfs/dbraw/zinc/30/91/23/753309123.db2.gz VMMXBMWIGHYZBH-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(-c3ccco3)o2)C1 ZINC001051493944 762203673 /nfs/dbraw/zinc/20/36/73/762203673.db2.gz CHJWSTGHITWXGO-VXGBXAGGSA-N 1 1 345.359 0.806 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)cc1 ZINC001008148792 753378388 /nfs/dbraw/zinc/37/83/88/753378388.db2.gz OEIWOWOSBJZWKA-KRWDZBQOSA-N 1 1 340.427 0.887 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CNC(=O)C(C)(C)C)C2)nn1 ZINC001105370956 753393830 /nfs/dbraw/zinc/39/38/30/753393830.db2.gz CBWBHRHQHJWXEJ-UHFFFAOYSA-N 1 1 334.424 0.099 20 30 ECEDMO CCc1nc(C#N)cc(N(C)CCN(C)C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001105371050 753400621 /nfs/dbraw/zinc/40/06/21/753400621.db2.gz PTISFQKZDXDWJK-CQSZACIVSA-N 1 1 330.436 0.899 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001008175760 753421955 /nfs/dbraw/zinc/42/19/55/753421955.db2.gz JHHPEUMISFCZBO-HZPDHXFCSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001008175760 753421957 /nfs/dbraw/zinc/42/19/57/753421957.db2.gz JHHPEUMISFCZBO-HZPDHXFCSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@]2(C)C1 ZINC000982773545 753522380 /nfs/dbraw/zinc/52/23/80/753522380.db2.gz UHORNSKUWIVUIR-HDICACEKSA-N 1 1 347.463 0.637 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000982780445 753547982 /nfs/dbraw/zinc/54/79/82/753547982.db2.gz DDDFTSJLVLAPIG-GXTWGEPZSA-N 1 1 329.404 0.416 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)CNC3=O)C[C@@]2(C)C1 ZINC000982785270 753555811 /nfs/dbraw/zinc/55/58/11/753555811.db2.gz VRPHNOFIZRWDON-CALCHBBNSA-N 1 1 334.420 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]cc2C)C1 ZINC000982785408 753556065 /nfs/dbraw/zinc/55/60/65/753556065.db2.gz ZVRVSOGNZWUEPQ-RDJZCZTQSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]cc2C)C1 ZINC000982785408 753556073 /nfs/dbraw/zinc/55/60/73/753556073.db2.gz ZVRVSOGNZWUEPQ-RDJZCZTQSA-N 1 1 342.443 0.999 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)cc1 ZINC001083353013 753649963 /nfs/dbraw/zinc/64/99/63/753649963.db2.gz IWRALECZSKYIBH-CVEARBPZSA-N 1 1 341.371 0.287 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)cc1 ZINC001083353013 753649965 /nfs/dbraw/zinc/64/99/65/753649965.db2.gz IWRALECZSKYIBH-CVEARBPZSA-N 1 1 341.371 0.287 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]n1 ZINC001083356648 753662318 /nfs/dbraw/zinc/66/23/18/753662318.db2.gz DOFBJXKNJFPBOR-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]n1 ZINC001083356648 753662321 /nfs/dbraw/zinc/66/23/21/753662321.db2.gz DOFBJXKNJFPBOR-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001059972251 753736488 /nfs/dbraw/zinc/73/64/88/753736488.db2.gz KTFALHHKLYQWJF-SJORKVTESA-N 1 1 349.475 0.723 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101229728 753769665 /nfs/dbraw/zinc/76/96/65/753769665.db2.gz JVFDAQIUHRFTDK-ZBFHGGJFSA-N 1 1 326.462 0.471 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101229728 753769670 /nfs/dbraw/zinc/76/96/70/753769670.db2.gz JVFDAQIUHRFTDK-ZBFHGGJFSA-N 1 1 326.462 0.471 20 30 ECEDMO CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)C1 ZINC001083390553 753781099 /nfs/dbraw/zinc/78/10/99/753781099.db2.gz WJBPDXUMLDFNPO-CFVMTHIKSA-N 1 1 332.404 0.476 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)c1 ZINC001083392408 753793821 /nfs/dbraw/zinc/79/38/21/753793821.db2.gz GMIZHBSTUBZFGH-FRRDWIJNSA-N 1 1 340.330 0.085 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)c1 ZINC001083392408 753793828 /nfs/dbraw/zinc/79/38/28/753793828.db2.gz GMIZHBSTUBZFGH-FRRDWIJNSA-N 1 1 340.330 0.085 20 30 ECEDMO CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1)C1CCCC1 ZINC001083392778 753794854 /nfs/dbraw/zinc/79/48/54/753794854.db2.gz YLBGFOCNYKXLEO-IKGGRYGDSA-N 1 1 346.431 0.866 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001008488530 753799577 /nfs/dbraw/zinc/79/95/77/753799577.db2.gz SAYZMFUFBGCHOY-LLVKDONJSA-N 1 1 341.437 0.218 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(CC)o2)C1 ZINC001028601629 753883106 /nfs/dbraw/zinc/88/31/06/753883106.db2.gz RTXDADWDGXLMRK-GJZGRUSLSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(CC)o2)C1 ZINC001028601629 753883113 /nfs/dbraw/zinc/88/31/13/753883113.db2.gz RTXDADWDGXLMRK-GJZGRUSLSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cn(CC)nn2)C1 ZINC001028603490 753898723 /nfs/dbraw/zinc/89/87/23/753898723.db2.gz BIADZPGBHSDJLQ-WBVHZDCISA-N 1 1 344.463 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cn(CC)nn2)C1 ZINC001028603490 753898732 /nfs/dbraw/zinc/89/87/32/753898732.db2.gz BIADZPGBHSDJLQ-WBVHZDCISA-N 1 1 344.463 0.334 20 30 ECEDMO C=C(C)C[N@H+]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC000989431993 753903984 /nfs/dbraw/zinc/90/39/84/753903984.db2.gz ZOKNVUFBLZNNNE-UHFFFAOYSA-N 1 1 333.436 0.492 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNC(=O)CSCC#N)CC[N@H+]1C ZINC001075678021 754014755 /nfs/dbraw/zinc/01/47/55/754014755.db2.gz JBAFFLJYAFNGIB-MELADBBJSA-N 1 1 340.493 0.984 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3cncn3C)CC2)C1=O ZINC000989483206 754021127 /nfs/dbraw/zinc/02/11/27/754021127.db2.gz PMGPCUIVUNRCTK-MRXNPFEDSA-N 1 1 345.447 0.284 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3cncn3C)CC2)C1=O ZINC000989483206 754021132 /nfs/dbraw/zinc/02/11/32/754021132.db2.gz PMGPCUIVUNRCTK-MRXNPFEDSA-N 1 1 345.447 0.284 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC000989565082 754120333 /nfs/dbraw/zinc/12/03/33/754120333.db2.gz ZHOOEESEBHSMGA-GOSISDBHSA-N 1 1 339.439 0.975 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC000989565082 754120336 /nfs/dbraw/zinc/12/03/36/754120336.db2.gz ZHOOEESEBHSMGA-GOSISDBHSA-N 1 1 339.439 0.975 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1)C1CCC1 ZINC000982898731 754121580 /nfs/dbraw/zinc/12/15/80/754121580.db2.gz VITFKVVHZKCURD-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccnnc2)C1 ZINC000982923084 754206191 /nfs/dbraw/zinc/20/61/91/754206191.db2.gz OHNQDWYVWVCVEG-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccnnc2)C1 ZINC000982923084 754206196 /nfs/dbraw/zinc/20/61/96/754206196.db2.gz OHNQDWYVWVCVEG-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001028654957 754301892 /nfs/dbraw/zinc/30/18/92/754301892.db2.gz BDJJKXFFGCHFHW-HNNXBMFYSA-N 1 1 331.416 0.570 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000989695029 754323453 /nfs/dbraw/zinc/32/34/53/754323453.db2.gz WSYUHTBVJPSUGR-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[N@H+](C[C@H]3CCOC3)CC2)CC1 ZINC000989734716 754365272 /nfs/dbraw/zinc/36/52/72/754365272.db2.gz AASLLBWBOWDAOG-QGZVFWFLSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[N@@H+](C[C@H]3CCOC3)CC2)CC1 ZINC000989734716 754365278 /nfs/dbraw/zinc/36/52/78/754365278.db2.gz AASLLBWBOWDAOG-QGZVFWFLSA-N 1 1 333.476 0.902 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)CC[N@H+]1C ZINC001009126439 754557284 /nfs/dbraw/zinc/55/72/84/754557284.db2.gz JTMHIEURNFKHCL-NNPSNHGLSA-N 1 1 343.471 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1[C@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]12 ZINC001009186849 754628609 /nfs/dbraw/zinc/62/86/09/754628609.db2.gz BAXFLGAMHBUMSQ-WSLCHXOHSA-N 1 1 341.455 0.871 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1[C@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]12 ZINC001009186849 754628613 /nfs/dbraw/zinc/62/86/13/754628613.db2.gz BAXFLGAMHBUMSQ-WSLCHXOHSA-N 1 1 341.455 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]21 ZINC001009191007 754633935 /nfs/dbraw/zinc/63/39/35/754633935.db2.gz NGOREKNXBGDQFR-KPLDXPABSA-N 1 1 329.444 0.561 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]21 ZINC001009191007 754633936 /nfs/dbraw/zinc/63/39/36/754633936.db2.gz NGOREKNXBGDQFR-KPLDXPABSA-N 1 1 329.444 0.561 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001105873140 762319642 /nfs/dbraw/zinc/31/96/42/762319642.db2.gz LDOBRJIDCDOSHM-KGLIPLIRSA-N 1 1 332.408 0.112 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001105873808 762322871 /nfs/dbraw/zinc/32/28/71/762322871.db2.gz WEVXXIPBADDNQB-DZGCQCFKSA-N 1 1 349.410 0.856 20 30 ECEDMO Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC001051554382 762328509 /nfs/dbraw/zinc/32/85/09/762328509.db2.gz DJFCPNZBBMZLLC-CYBMUJFWSA-N 1 1 329.360 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC000983169112 754763285 /nfs/dbraw/zinc/76/32/85/754763285.db2.gz BRFHACJCZWGFNE-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC000983169112 754763287 /nfs/dbraw/zinc/76/32/87/754763287.db2.gz BRFHACJCZWGFNE-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001105874056 762332240 /nfs/dbraw/zinc/33/22/40/762332240.db2.gz ZDMKKQMHFFBJSM-LSDHHAIUSA-N 1 1 331.420 0.717 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3c[nH]nc3C)C2)C1=O ZINC001028725013 754861057 /nfs/dbraw/zinc/86/10/57/754861057.db2.gz AXORFUOOVIVRCT-UKRRQHHQSA-N 1 1 331.420 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C)n2C)C1 ZINC000990236939 754867200 /nfs/dbraw/zinc/86/72/00/754867200.db2.gz COLZUUQAXKMMIN-INIZCTEOSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C)n2C)C1 ZINC000990236939 754867206 /nfs/dbraw/zinc/86/72/06/754867206.db2.gz COLZUUQAXKMMIN-INIZCTEOSA-N 1 1 328.416 0.372 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001028737034 754928210 /nfs/dbraw/zinc/92/82/10/754928210.db2.gz MDRSIVPEUWGJDK-CVEARBPZSA-N 1 1 326.400 0.632 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001028740188 754938525 /nfs/dbraw/zinc/93/85/25/754938525.db2.gz OPTLZXMWTQPMDZ-IAGOWNOFSA-N 1 1 340.427 0.500 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC000990306352 754939699 /nfs/dbraw/zinc/93/96/99/754939699.db2.gz JPNWJTZZNZNAGU-BXUZGUMPSA-N 1 1 325.800 0.849 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC000990306352 754939702 /nfs/dbraw/zinc/93/97/02/754939702.db2.gz JPNWJTZZNZNAGU-BXUZGUMPSA-N 1 1 325.800 0.849 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001028740818 754945903 /nfs/dbraw/zinc/94/59/03/754945903.db2.gz SPGAOSSXZZGUNY-CZUORRHYSA-N 1 1 341.415 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2nccc(OC)n2)C1 ZINC001059106276 754955075 /nfs/dbraw/zinc/95/50/75/754955075.db2.gz IBDBUKNKLBMJFL-KBPBESRZSA-N 1 1 329.404 0.596 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2nccc(OC)n2)C1 ZINC001059106276 754955082 /nfs/dbraw/zinc/95/50/82/754955082.db2.gz IBDBUKNKLBMJFL-KBPBESRZSA-N 1 1 329.404 0.596 20 30 ECEDMO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1=O ZINC001028749577 754965656 /nfs/dbraw/zinc/96/56/56/754965656.db2.gz LGKUZSYLIVSIBM-WMLDXEAASA-N 1 1 340.427 0.975 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075697925 754994990 /nfs/dbraw/zinc/99/49/90/754994990.db2.gz NAJHAMSTJMTRGH-BFQNTYOBSA-N 1 1 341.415 0.700 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075697925 754994993 /nfs/dbraw/zinc/99/49/93/754994993.db2.gz NAJHAMSTJMTRGH-BFQNTYOBSA-N 1 1 341.415 0.700 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001028766149 755034032 /nfs/dbraw/zinc/03/40/32/755034032.db2.gz NEIPAMGGYGVVHC-ZDUSSCGKSA-N 1 1 337.383 0.893 20 30 ECEDMO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1c[nH]c(=O)cn1 ZINC001028766276 755036657 /nfs/dbraw/zinc/03/66/57/755036657.db2.gz PHCZWSVCZGAOAV-MRXNPFEDSA-N 1 1 336.395 0.873 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3conc3C)C2)C1=O ZINC001028780897 755095555 /nfs/dbraw/zinc/09/55/55/755095555.db2.gz WXHGLJSHEIOEIS-HIFRSBDPSA-N 1 1 332.404 0.822 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)c[nH]1 ZINC001075710118 755195711 /nfs/dbraw/zinc/19/57/11/755195711.db2.gz XFBQYSBXJLYVST-XHDPSFHLSA-N 1 1 327.388 0.311 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)c[nH]1 ZINC001075710118 755195714 /nfs/dbraw/zinc/19/57/14/755195714.db2.gz XFBQYSBXJLYVST-XHDPSFHLSA-N 1 1 327.388 0.311 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001028808658 755197972 /nfs/dbraw/zinc/19/79/72/755197972.db2.gz CMVQIPXDUSHWIC-MJBXVCDLSA-N 1 1 330.450 0.060 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001028808658 755197974 /nfs/dbraw/zinc/19/79/74/755197974.db2.gz CMVQIPXDUSHWIC-MJBXVCDLSA-N 1 1 330.450 0.060 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)[C@@H](O)C1 ZINC001083468819 755200439 /nfs/dbraw/zinc/20/04/39/755200439.db2.gz SIRIBLPEHZOFBL-NCOADZHNSA-N 1 1 329.400 0.344 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccnnc3)C2)C1=O ZINC001028826435 755231389 /nfs/dbraw/zinc/23/13/89/755231389.db2.gz FKYQJWVLCKGCHT-UKRRQHHQSA-N 1 1 329.404 0.315 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCOC)c1ccnc(C#N)n1 ZINC001126433862 755261352 /nfs/dbraw/zinc/26/13/52/755261352.db2.gz IMZGGCQVNFYIOD-UHFFFAOYSA-N 1 1 348.451 0.648 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001028851740 755306484 /nfs/dbraw/zinc/30/64/84/755306484.db2.gz VEILDLZWTUETKC-ZDUSSCGKSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cncn3C)C2)nn1 ZINC001028851298 755308923 /nfs/dbraw/zinc/30/89/23/755308923.db2.gz LBAPBKNMKPJHGU-ZDUSSCGKSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nccn3C)C2)nn1 ZINC001028855226 755317656 /nfs/dbraw/zinc/31/76/56/755317656.db2.gz XSINGQCKJZNMJZ-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nccn3C)C2)nn1 ZINC001028855226 755317659 /nfs/dbraw/zinc/31/76/59/755317659.db2.gz XSINGQCKJZNMJZ-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001060040603 755320845 /nfs/dbraw/zinc/32/08/45/755320845.db2.gz ATNZYIKQVDNQEN-CABCVRRESA-N 1 1 342.447 0.762 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001028860804 755329655 /nfs/dbraw/zinc/32/96/55/755329655.db2.gz FDOVJZNUVQOWPL-JYJNAYRXSA-N 1 1 333.436 0.697 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001028869394 755348175 /nfs/dbraw/zinc/34/81/75/755348175.db2.gz SWVZVAGDOFTUMC-ZDUSSCGKSA-N 1 1 329.404 0.959 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)c3[nH]nc(C)c3C)C2)C1=O ZINC000983353771 755353706 /nfs/dbraw/zinc/35/37/06/755353706.db2.gz AOWVPYXABBOSMU-KKUMJFAQSA-N 1 1 345.447 0.911 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC001075962653 755489705 /nfs/dbraw/zinc/48/97/05/755489705.db2.gz PJGYPIMOZZMYTK-WCQYABFASA-N 1 1 339.417 0.649 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN3CCCC3=O)C2)s1 ZINC001010105456 755654982 /nfs/dbraw/zinc/65/49/82/755654982.db2.gz KXQUKUIXPXUYGE-GFCCVEGCSA-N 1 1 332.429 0.933 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCCC3=O)C2)s1 ZINC001010105456 755654986 /nfs/dbraw/zinc/65/49/86/755654986.db2.gz KXQUKUIXPXUYGE-GFCCVEGCSA-N 1 1 332.429 0.933 20 30 ECEDMO C=CCCOCC(=O)NCC1CC([NH2+]Cc2nnnn2CCC)C1 ZINC001101057344 755698523 /nfs/dbraw/zinc/69/85/23/755698523.db2.gz LSHJUZHONDXWGV-UHFFFAOYSA-N 1 1 336.440 0.660 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCn3ncn(C)c3=O)C2)C1 ZINC001040299127 755719937 /nfs/dbraw/zinc/71/99/37/755719937.db2.gz CPSULFISYZLIDZ-GOSISDBHSA-N 1 1 345.447 0.310 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001040330827 755893441 /nfs/dbraw/zinc/89/34/41/755893441.db2.gz FWZYGNGPNKCRKV-GOSISDBHSA-N 1 1 334.464 0.309 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)nn1 ZINC001098660262 755908837 /nfs/dbraw/zinc/90/88/37/755908837.db2.gz YXZGULBRISPLTB-OCCSQVGLSA-N 1 1 330.396 0.180 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2c(CC)nn(C)c2CC)[C@@H](O)C1 ZINC001083532762 755961727 /nfs/dbraw/zinc/96/17/27/755961727.db2.gz GANFJMAPRYGCAZ-WBVHZDCISA-N 1 1 332.448 0.272 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2c(CC)nn(C)c2CC)[C@@H](O)C1 ZINC001083532762 755961729 /nfs/dbraw/zinc/96/17/29/755961729.db2.gz GANFJMAPRYGCAZ-WBVHZDCISA-N 1 1 332.448 0.272 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)[C@@H](O)C1 ZINC001083538328 755986989 /nfs/dbraw/zinc/98/69/89/755986989.db2.gz SWIOMCPBELOTAL-NCOADZHNSA-N 1 1 349.475 0.905 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)NC(=O)CSCC#N)C1 ZINC001051600778 762437509 /nfs/dbraw/zinc/43/75/09/762437509.db2.gz YOTGPUDPDBBLAV-KBPBESRZSA-N 1 1 340.493 0.938 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001076075332 756060164 /nfs/dbraw/zinc/06/01/64/756060164.db2.gz RXKDPWZFISKQRA-NSHDSACASA-N 1 1 328.376 0.716 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)[C@@H]2C1 ZINC001076087262 756067366 /nfs/dbraw/zinc/06/73/66/756067366.db2.gz MVXFGZJHVOAVPZ-WMLDXEAASA-N 1 1 336.399 0.832 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001010388512 756073368 /nfs/dbraw/zinc/07/33/68/756073368.db2.gz SCRJEQBXAPSMPE-HIFRSBDPSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001010388512 756073373 /nfs/dbraw/zinc/07/33/73/756073373.db2.gz SCRJEQBXAPSMPE-HIFRSBDPSA-N 1 1 331.420 0.320 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)[C@@H]2C1 ZINC001076109485 756095150 /nfs/dbraw/zinc/09/51/50/756095150.db2.gz LOUYFPGQBBRPDC-QWHCGFSZSA-N 1 1 342.407 0.416 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001010428005 756125665 /nfs/dbraw/zinc/12/56/65/756125665.db2.gz OHHPTRIVIREIKL-IAGOWNOFSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001010428005 756125668 /nfs/dbraw/zinc/12/56/68/756125668.db2.gz OHHPTRIVIREIKL-IAGOWNOFSA-N 1 1 346.406 0.718 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)c1 ZINC001010457132 756151061 /nfs/dbraw/zinc/15/10/61/756151061.db2.gz JSBTVLCHIPTWQE-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)c1 ZINC001010457132 756151065 /nfs/dbraw/zinc/15/10/65/756151065.db2.gz JSBTVLCHIPTWQE-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)C(F)F)C2)C1 ZINC001010457032 756151169 /nfs/dbraw/zinc/15/11/69/756151169.db2.gz CGLDURDCBDIDOC-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)C(F)F)C2)C1 ZINC001010457032 756151171 /nfs/dbraw/zinc/15/11/71/756151171.db2.gz CGLDURDCBDIDOC-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)c(C)o2)C1 ZINC000990845498 756154026 /nfs/dbraw/zinc/15/40/26/756154026.db2.gz SNXZHIDXCIYZAS-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)c(C)o2)C1 ZINC000990845498 756154028 /nfs/dbraw/zinc/15/40/28/756154028.db2.gz SNXZHIDXCIYZAS-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)c1 ZINC001010497505 756185038 /nfs/dbraw/zinc/18/50/38/756185038.db2.gz LMMRHWNGDQUANF-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO O=C(c1c[nH]c(=O)cn1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076187737 756188833 /nfs/dbraw/zinc/18/88/33/756188833.db2.gz KUEHOMWAFDYNOU-FUHWJXTLSA-N 1 1 348.406 0.968 20 30 ECEDMO O=C(c1c[nH]c(=O)cn1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076187737 756188836 /nfs/dbraw/zinc/18/88/36/756188836.db2.gz KUEHOMWAFDYNOU-FUHWJXTLSA-N 1 1 348.406 0.968 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001076219902 756224171 /nfs/dbraw/zinc/22/41/71/756224171.db2.gz HABUGNGUJHUAJJ-WFASDCNBSA-N 1 1 331.420 0.995 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001010578654 756268388 /nfs/dbraw/zinc/26/83/88/756268388.db2.gz GCHVVJKHXJUJRL-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010649142 756349778 /nfs/dbraw/zinc/34/97/78/756349778.db2.gz CQOKVRAMJHYFNJ-HIFRSBDPSA-N 1 1 327.388 0.477 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010649142 756349782 /nfs/dbraw/zinc/34/97/82/756349782.db2.gz CQOKVRAMJHYFNJ-HIFRSBDPSA-N 1 1 327.388 0.477 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040352483 756362607 /nfs/dbraw/zinc/36/26/07/756362607.db2.gz WABAKETXHMLQOT-YJBOKZPZSA-N 1 1 335.448 0.067 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cncn4C)C[C@H]32)nn1 ZINC001076334738 756376075 /nfs/dbraw/zinc/37/60/75/756376075.db2.gz GNVAHXMMEYITRC-XJKSGUPXSA-N 1 1 341.419 0.544 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cncn4C)C[C@H]32)nn1 ZINC001076334738 756376077 /nfs/dbraw/zinc/37/60/77/756376077.db2.gz GNVAHXMMEYITRC-XJKSGUPXSA-N 1 1 341.419 0.544 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@H](C)C#N)C3)C1 ZINC001010678833 756389893 /nfs/dbraw/zinc/38/98/93/756389893.db2.gz AGIAUVLRFVBWDM-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@H](C)C#N)C3)C1 ZINC001010678833 756389897 /nfs/dbraw/zinc/38/98/97/756389897.db2.gz AGIAUVLRFVBWDM-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010696947 756411593 /nfs/dbraw/zinc/41/15/93/756411593.db2.gz UNNRPFWEGVLUDZ-NVXWUHKLSA-N 1 1 346.406 0.718 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010696947 756411596 /nfs/dbraw/zinc/41/15/96/756411596.db2.gz UNNRPFWEGVLUDZ-NVXWUHKLSA-N 1 1 346.406 0.718 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001010754228 756482750 /nfs/dbraw/zinc/48/27/50/756482750.db2.gz PPGNGBATCHYOQJ-SFHVURJKSA-N 1 1 325.412 0.707 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001010754228 756482752 /nfs/dbraw/zinc/48/27/52/756482752.db2.gz PPGNGBATCHYOQJ-SFHVURJKSA-N 1 1 325.412 0.707 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076411968 756483169 /nfs/dbraw/zinc/48/31/69/756483169.db2.gz HKVIWXNHDNLQRF-HLLBOEOZSA-N 1 1 343.431 0.484 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001010756088 756484640 /nfs/dbraw/zinc/48/46/40/756484640.db2.gz WRAKUUMJLIMPSO-GOSISDBHSA-N 1 1 343.402 0.846 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001010756088 756484642 /nfs/dbraw/zinc/48/46/42/756484642.db2.gz WRAKUUMJLIMPSO-GOSISDBHSA-N 1 1 343.402 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cc(C)on2)CC1 ZINC001010759617 756489626 /nfs/dbraw/zinc/48/96/26/756489626.db2.gz PRVZRTMSTBEWRR-INIZCTEOSA-N 1 1 344.415 0.294 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cc(C)on2)CC1 ZINC001010759617 756489631 /nfs/dbraw/zinc/48/96/31/756489631.db2.gz PRVZRTMSTBEWRR-INIZCTEOSA-N 1 1 344.415 0.294 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001010835544 756582287 /nfs/dbraw/zinc/58/22/87/756582287.db2.gz JBHKPOXISCGWNH-HUUCEWRRSA-N 1 1 332.448 0.939 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076503516 756586561 /nfs/dbraw/zinc/58/65/61/756586561.db2.gz LLKMFHXLTAZAJF-LZWOXQAQSA-N 1 1 341.477 0.567 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001076510261 756603291 /nfs/dbraw/zinc/60/32/91/756603291.db2.gz HUDQCSUOJCGGOO-UONOGXRCSA-N 1 1 325.453 0.766 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001076511624 756606579 /nfs/dbraw/zinc/60/65/79/756606579.db2.gz AULRMPYBTJGLHG-JONQDZQNSA-N 1 1 337.464 0.766 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)C1CC(Nc2cc(CC)[nH+]c(C)n2)C1 ZINC001126930957 756614806 /nfs/dbraw/zinc/61/48/06/756614806.db2.gz KVQHDHIOEXHWSC-UHFFFAOYSA-N 1 1 343.431 0.888 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001076548983 756643709 /nfs/dbraw/zinc/64/37/09/756643709.db2.gz PJNNKHKIQJSWHZ-BFHYXJOUSA-N 1 1 334.420 0.474 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001040361486 756678383 /nfs/dbraw/zinc/67/83/83/756678383.db2.gz RVKKKLMRRSDRLG-SWLSCSKDSA-N 1 1 326.828 0.735 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001040361486 756678388 /nfs/dbraw/zinc/67/83/88/756678388.db2.gz RVKKKLMRRSDRLG-SWLSCSKDSA-N 1 1 326.828 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)n2cccc2)CC1 ZINC001011014072 756768237 /nfs/dbraw/zinc/76/82/37/756768237.db2.gz PLHQEZWQMLQYGY-IRXDYDNUSA-N 1 1 342.443 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)n2cccc2)CC1 ZINC001011014072 756768241 /nfs/dbraw/zinc/76/82/41/756768241.db2.gz PLHQEZWQMLQYGY-IRXDYDNUSA-N 1 1 342.443 0.818 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001011018542 756771555 /nfs/dbraw/zinc/77/15/55/756771555.db2.gz NYEPHCRKQWQRDE-ZDUSSCGKSA-N 1 1 329.404 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](OCC)C1CC1 ZINC001076647932 756778243 /nfs/dbraw/zinc/77/82/43/756778243.db2.gz AYAHKTSNHCOZMM-XIRDDKMYSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](OCC)C1CC1 ZINC001076647932 756778249 /nfs/dbraw/zinc/77/82/49/756778249.db2.gz AYAHKTSNHCOZMM-XIRDDKMYSA-N 1 1 349.475 0.910 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)c[nH]1 ZINC000990930803 756879962 /nfs/dbraw/zinc/87/99/62/756879962.db2.gz FKLZYEKRMJDOMU-JKSUJKDBSA-N 1 1 341.415 0.844 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)cc1 ZINC001076716498 756911501 /nfs/dbraw/zinc/91/15/01/756911501.db2.gz OXNCUFIVTXCWOM-BRWVUGGUSA-N 1 1 345.399 0.429 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)cc1 ZINC001076716498 756911504 /nfs/dbraw/zinc/91/15/04/756911504.db2.gz OXNCUFIVTXCWOM-BRWVUGGUSA-N 1 1 345.399 0.429 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)C1=O ZINC001048779418 756965332 /nfs/dbraw/zinc/96/53/32/756965332.db2.gz UHULYIAANZJNQJ-IJEWVQPXSA-N 1 1 341.415 0.511 20 30 ECEDMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]3C2)nn1 ZINC001048800504 757036274 /nfs/dbraw/zinc/03/62/74/757036274.db2.gz HTEITOBAEOOZDT-IYBDPMFKSA-N 1 1 336.399 0.891 20 30 ECEDMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]3C2)nn1 ZINC001048802475 757041409 /nfs/dbraw/zinc/04/14/09/757041409.db2.gz HBTMQAAKQZWPKG-IYBDPMFKSA-N 1 1 336.399 0.891 20 30 ECEDMO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](C[C@H]3CC(C)(C)CO3)C2)nn1 ZINC001107149483 757086281 /nfs/dbraw/zinc/08/62/81/757086281.db2.gz GVPXUHYKZKQJQK-SWLSCSKDSA-N 1 1 346.435 0.726 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@H]2C1 ZINC001048816026 757086584 /nfs/dbraw/zinc/08/65/84/757086584.db2.gz PAUULTHVHYCCHI-GASCZTMLSA-N 1 1 333.436 0.895 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@H]2C1 ZINC001048860205 757205311 /nfs/dbraw/zinc/20/53/11/757205311.db2.gz KOAQWEFDZWBMLA-ZNMIVQPWSA-N 1 1 326.462 0.920 20 30 ECEDMO COCCC[NH+]1CC(n2cc(CNC(=O)C#CC(C)(C)C)nn2)C1 ZINC001107171462 757220092 /nfs/dbraw/zinc/22/00/92/757220092.db2.gz ZZFICMJGOPJXTL-UHFFFAOYSA-N 1 1 333.436 0.837 20 30 ECEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048866211 757227220 /nfs/dbraw/zinc/22/72/20/757227220.db2.gz LTMMPACPPLSHDU-ILXRZTDVSA-N 1 1 337.464 0.571 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](CC)OC)C[C@@H]2C1 ZINC001048869604 757236872 /nfs/dbraw/zinc/23/68/72/757236872.db2.gz AINPHMUDPWAPST-MHORFTMASA-N 1 1 333.476 0.899 20 30 ECEDMO C=CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001048873990 757252127 /nfs/dbraw/zinc/25/21/27/757252127.db2.gz PGHRFGNEJUINHI-JYJNAYRXSA-N 1 1 349.475 0.715 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@H]2C1 ZINC001048888688 757305329 /nfs/dbraw/zinc/30/53/29/757305329.db2.gz KBSCFWQNTNULIL-OWCLPIDISA-N 1 1 342.443 0.871 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]2C1 ZINC001048893048 757315577 /nfs/dbraw/zinc/31/55/77/757315577.db2.gz ISZYRXZTHNKRPZ-GASCZTMLSA-N 1 1 326.400 0.137 20 30 ECEDMO Cc1nc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001068464636 790324704 /nfs/dbraw/zinc/32/47/04/790324704.db2.gz VRNRUQZTWXLURD-FVQBIDKESA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1nc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001068464636 790324716 /nfs/dbraw/zinc/32/47/16/790324716.db2.gz VRNRUQZTWXLURD-FVQBIDKESA-N 1 1 343.431 0.899 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)nc1 ZINC001011282138 757400848 /nfs/dbraw/zinc/40/08/48/757400848.db2.gz QOFLZZTUYCJCSB-UHFFFAOYSA-N 1 1 340.427 0.832 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]2C1 ZINC001048921394 757418649 /nfs/dbraw/zinc/41/86/49/757418649.db2.gz XFTNLPWLRAHNPH-BETUJISGSA-N 1 1 336.823 0.880 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]2C1 ZINC001048922553 757421973 /nfs/dbraw/zinc/42/19/73/757421973.db2.gz WQRIUZOROYMXDS-IYBDPMFKSA-N 1 1 344.459 0.788 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]2C1 ZINC001048922553 757421979 /nfs/dbraw/zinc/42/19/79/757421979.db2.gz WQRIUZOROYMXDS-IYBDPMFKSA-N 1 1 344.459 0.788 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@H]2C1 ZINC001048924247 757426770 /nfs/dbraw/zinc/42/67/70/757426770.db2.gz XMKSTUISAXPWSB-SOUVJXGZSA-N 1 1 326.462 0.778 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](OC)[C@H]3CCOC3)nn2)C1 ZINC001107189762 757427842 /nfs/dbraw/zinc/42/78/42/757427842.db2.gz HKRAPMLKHBNCFN-BBRMVZONSA-N 1 1 349.435 0.379 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@H]2C1 ZINC001048926452 757430779 /nfs/dbraw/zinc/43/07/79/757430779.db2.gz HGPBPLDFPKQGKI-IYBDPMFKSA-N 1 1 341.411 0.578 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@H]2C1 ZINC001048958986 757516654 /nfs/dbraw/zinc/51/66/54/757516654.db2.gz AJZIPTJEYUIUEM-BETUJISGSA-N 1 1 327.388 0.521 20 30 ECEDMO CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001076898285 757516710 /nfs/dbraw/zinc/51/67/10/757516710.db2.gz BPWPILYVDCLQSS-BPLDGKMQSA-N 1 1 332.404 0.476 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2O)[nH]1 ZINC001076898711 757517560 /nfs/dbraw/zinc/51/75/60/757517560.db2.gz WTLXYCMAQHLRDG-IAGOWNOFSA-N 1 1 340.383 0.354 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2O)[nH]1 ZINC001076898711 757517564 /nfs/dbraw/zinc/51/75/64/757517564.db2.gz WTLXYCMAQHLRDG-IAGOWNOFSA-N 1 1 340.383 0.354 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCC(=O)NC3)nn2)C1 ZINC001107197739 757556815 /nfs/dbraw/zinc/55/68/15/757556815.db2.gz HRTKPFQLAFMSPA-QGZVFWFLSA-N 1 1 346.435 0.243 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@H]2C1 ZINC001048972369 757558404 /nfs/dbraw/zinc/55/84/04/757558404.db2.gz UFQTYSMAHIHLBE-GASCZTMLSA-N 1 1 328.416 0.424 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)cc1 ZINC001048973656 757562604 /nfs/dbraw/zinc/56/26/04/757562604.db2.gz QYHYKPWTCVOMAV-FGTMMUONSA-N 1 1 337.423 0.902 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@H]3C2)cc1 ZINC001048978030 757584669 /nfs/dbraw/zinc/58/46/69/757584669.db2.gz SLWQYBWWDXRJEI-BBWFWOEESA-N 1 1 338.411 0.585 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001105900559 762560374 /nfs/dbraw/zinc/56/03/74/762560374.db2.gz PDRGLVCBKJBQIM-HNNXBMFYSA-N 1 1 342.403 0.250 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000996438430 757600282 /nfs/dbraw/zinc/60/02/82/757600282.db2.gz ZQDRNEAGLVWYNZ-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000996444031 757617093 /nfs/dbraw/zinc/61/70/93/757617093.db2.gz UYZWXFXOUHTZOT-IMJJTQAJSA-N 1 1 335.448 0.636 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC001021591927 757654773 /nfs/dbraw/zinc/65/47/73/757654773.db2.gz ZDDJLODDOBPJJF-BHYGNILZSA-N 1 1 329.444 0.801 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001049003916 757664106 /nfs/dbraw/zinc/66/41/06/757664106.db2.gz VYVPOUVFGQKPPL-GJZGRUSLSA-N 1 1 337.464 0.713 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021608032 757680107 /nfs/dbraw/zinc/68/01/07/757680107.db2.gz ZFISHMXYTMCTQI-HZPDHXFCSA-N 1 1 335.448 0.734 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)C1 ZINC001107210039 757689363 /nfs/dbraw/zinc/68/93/63/757689363.db2.gz BVOKTXLJMKLHQW-NQHOJNORSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)C1 ZINC001107210039 757689365 /nfs/dbraw/zinc/68/93/65/757689365.db2.gz BVOKTXLJMKLHQW-NQHOJNORSA-N 1 1 330.392 0.153 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN(CC(F)F)C3)C[C@H]2C1 ZINC001049012818 757693467 /nfs/dbraw/zinc/69/34/67/757693467.db2.gz KJAQVFHHWLAPKN-SOUVJXGZSA-N 1 1 325.403 0.987 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021624382 757703473 /nfs/dbraw/zinc/70/34/73/757703473.db2.gz VSTXNXZGRMOAPP-CABCVRRESA-N 1 1 344.415 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)/C=C(\C)CC)C[C@@H]1O ZINC001049018941 757707777 /nfs/dbraw/zinc/70/77/77/757707777.db2.gz AZIDONGPWGUPLX-MOPBIZTBSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)/C=C(\C)CC)C[C@@H]1O ZINC001049018941 757707785 /nfs/dbraw/zinc/70/77/85/757707785.db2.gz AZIDONGPWGUPLX-MOPBIZTBSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CCCC)C[C@@H]1O ZINC001049019901 757713267 /nfs/dbraw/zinc/71/32/67/757713267.db2.gz WXKYBMJLYVEIOM-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CCCC)C[C@@H]1O ZINC001049019901 757713274 /nfs/dbraw/zinc/71/32/74/757713274.db2.gz WXKYBMJLYVEIOM-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccnc3c2nnn3C)C1 ZINC001021655129 757745161 /nfs/dbraw/zinc/74/51/61/757745161.db2.gz AKSWQLLFMUQTHE-UKRRQHHQSA-N 1 1 338.415 0.923 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049036231 757753548 /nfs/dbraw/zinc/75/35/48/757753548.db2.gz VPZGQINZYRDCIK-IYOUNJFTSA-N 1 1 348.447 0.531 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001021688025 757782972 /nfs/dbraw/zinc/78/29/72/757782972.db2.gz KPTFTHPGNDKFEM-ZIAGYGMSSA-N 1 1 334.420 0.427 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001021689010 757785929 /nfs/dbraw/zinc/78/59/29/757785929.db2.gz UNCOWDDSHJQFJY-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001021715507 757853958 /nfs/dbraw/zinc/85/39/58/757853958.db2.gz GXYRKHZDKUADHM-OCCSQVGLSA-N 1 1 342.403 0.530 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001076988632 757857983 /nfs/dbraw/zinc/85/79/83/757857983.db2.gz KDNPVLOSBFXSSB-HZPDHXFCSA-N 1 1 329.404 0.766 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021725345 757866460 /nfs/dbraw/zinc/86/64/60/757866460.db2.gz RRFMNNDMTHGRCR-CVEARBPZSA-N 1 1 345.447 0.226 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3nncn3C)C[C@@H]2C1 ZINC001049068395 757867631 /nfs/dbraw/zinc/86/76/31/757867631.db2.gz RQZKENXEZYHSRA-LJIZCISZSA-N 1 1 345.447 0.857 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3nncn3C)C[C@@H]2C1 ZINC001049068395 757867640 /nfs/dbraw/zinc/86/76/40/757867640.db2.gz RQZKENXEZYHSRA-LJIZCISZSA-N 1 1 345.447 0.857 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001049069308 757870847 /nfs/dbraw/zinc/87/08/47/757870847.db2.gz ALCGXHSFZDWBDA-QXSJWSMHSA-N 1 1 333.432 0.200 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021730345 757873509 /nfs/dbraw/zinc/87/35/09/757873509.db2.gz MOFXFCGCXIXFGK-HUUCEWRRSA-N 1 1 346.431 0.217 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021732232 757878206 /nfs/dbraw/zinc/87/82/06/757878206.db2.gz CYZPMJUOGCKESW-DZGCQCFKSA-N 1 1 346.431 0.989 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@H]2C1 ZINC001049073161 757883545 /nfs/dbraw/zinc/88/35/45/757883545.db2.gz FZXIXBMQIRSMJL-KFWWJZLASA-N 1 1 330.436 0.592 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cncc(C(N)=O)c2)C1 ZINC001021738878 757887468 /nfs/dbraw/zinc/88/74/68/757887468.db2.gz CQICUCANNGNALP-CZUORRHYSA-N 1 1 326.400 0.740 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)n2C)C1 ZINC001021740592 757890218 /nfs/dbraw/zinc/89/02/18/757890218.db2.gz UWTGSMGEKLEOLJ-CABCVRRESA-N 1 1 330.432 0.674 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3cnn(C)n3)C(C)(C)C2)nc1 ZINC000996528205 757896597 /nfs/dbraw/zinc/89/65/97/757896597.db2.gz MUACYKRWJWRTBZ-MRXNPFEDSA-N 1 1 338.415 0.832 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001021755538 757904185 /nfs/dbraw/zinc/90/41/85/757904185.db2.gz XLQALTITEMPEQZ-GOEBONIOSA-N 1 1 326.400 0.740 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)[C@@H](O)C1 ZINC001083559757 757947090 /nfs/dbraw/zinc/94/70/90/757947090.db2.gz BBCNQUYHJZNMNO-JQHSSLGASA-N 1 1 327.428 0.698 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)[C@@H](O)C1 ZINC001083559757 757947099 /nfs/dbraw/zinc/94/70/99/757947099.db2.gz BBCNQUYHJZNMNO-JQHSSLGASA-N 1 1 327.428 0.698 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H](C)OC)C[C@@H]3C2)nn1 ZINC001049109769 757983642 /nfs/dbraw/zinc/98/36/42/757983642.db2.gz LHDFLGRPWMIGFV-SOUVJXGZSA-N 1 1 333.436 0.893 20 30 ECEDMO C=CCCOCC(=O)NCc1cn(C2C[NH+](CCCOC)C2)nn1 ZINC001107241426 758045117 /nfs/dbraw/zinc/04/51/17/758045117.db2.gz ULQTWVDQZJZPFR-UHFFFAOYSA-N 1 1 337.424 0.380 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC/C=C/CNc1ccnc(C#N)n1 ZINC001107252189 758045554 /nfs/dbraw/zinc/04/55/54/758045554.db2.gz GCLJFZSRWJDRLB-NSCUHMNNSA-N 1 1 339.403 0.840 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]2C1 ZINC001049129542 758061789 /nfs/dbraw/zinc/06/17/89/758061789.db2.gz OZNOMQLWCPNVOT-BETUJISGSA-N 1 1 330.388 0.152 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049140065 758105423 /nfs/dbraw/zinc/10/54/23/758105423.db2.gz HQLZSYBHAKGGGI-OAGGEKHMSA-N 1 1 343.431 0.342 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4oncc4C)C[C@H]3C2)C1=O ZINC001049151648 758138561 /nfs/dbraw/zinc/13/85/61/758138561.db2.gz IIQAORXEMDAPJO-QLFBSQMISA-N 1 1 344.415 0.774 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC001011626254 758161324 /nfs/dbraw/zinc/16/13/24/758161324.db2.gz RIYTVDMSRGZFAF-JSGCOSHPSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cnn(-c4nccs4)c3)C[C@H]2C1 ZINC001049165113 758191112 /nfs/dbraw/zinc/19/11/12/758191112.db2.gz HLVKXSYDMNTTKF-OKILXGFUSA-N 1 1 327.413 0.966 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CN(C(=O)CN3CCCC3)CC2(C)C)C1=O ZINC000996608117 758205022 /nfs/dbraw/zinc/20/50/22/758205022.db2.gz BOTCPJRMTBTSLE-CVEARBPZSA-N 1 1 348.491 0.696 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cn[nH]c3)CCC[C@@H]12 ZINC001107294192 758214451 /nfs/dbraw/zinc/21/44/51/758214451.db2.gz UIYNMTTXNDUBDP-CZUORRHYSA-N 1 1 330.392 0.024 20 30 ECEDMO C#CCCCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001049176323 758228748 /nfs/dbraw/zinc/22/87/48/758228748.db2.gz NPUDUXGTTOIIBF-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCCC(C)=O ZINC001077123880 758250707 /nfs/dbraw/zinc/25/07/07/758250707.db2.gz DRHQYLACWPVUIS-HOCLYGCPSA-N 1 1 335.448 0.854 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCCC(C)=O ZINC001077123880 758250715 /nfs/dbraw/zinc/25/07/15/758250715.db2.gz DRHQYLACWPVUIS-HOCLYGCPSA-N 1 1 335.448 0.854 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCCCOC)CCC[C@@H]12 ZINC001107321263 758264073 /nfs/dbraw/zinc/26/40/73/758264073.db2.gz PBJJPYKJHFZHIE-VQIMIIECSA-N 1 1 349.475 0.913 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@H]2C1 ZINC001049198003 758280190 /nfs/dbraw/zinc/28/01/90/758280190.db2.gz YLORJVQABOEBRI-IXDOHACOSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001111648759 758291599 /nfs/dbraw/zinc/29/15/99/758291599.db2.gz MXOCRVTWIBZXDC-YJBOKZPZSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1OCC[C@H]1C ZINC001077125493 758292044 /nfs/dbraw/zinc/29/20/44/758292044.db2.gz VXLMTMWHGOJMHQ-UGUYLWEFSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1OCC[C@H]1C ZINC001077125493 758292053 /nfs/dbraw/zinc/29/20/53/758292053.db2.gz VXLMTMWHGOJMHQ-UGUYLWEFSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnc(C)n1C ZINC001077125604 758292211 /nfs/dbraw/zinc/29/22/11/758292211.db2.gz YVXDPTKMVZEPRZ-ZFWWWQNUSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnc(C)n1C ZINC001077125604 758292217 /nfs/dbraw/zinc/29/22/17/758292217.db2.gz YVXDPTKMVZEPRZ-ZFWWWQNUSA-N 1 1 345.447 0.451 20 30 ECEDMO CC#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077147927 758345095 /nfs/dbraw/zinc/34/50/95/758345095.db2.gz OIUWICIBBAANQR-ARFHVFGLSA-N 1 1 337.464 0.910 20 30 ECEDMO CC#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077147927 758345110 /nfs/dbraw/zinc/34/51/10/758345110.db2.gz OIUWICIBBAANQR-ARFHVFGLSA-N 1 1 337.464 0.910 20 30 ECEDMO CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC001107366477 758377890 /nfs/dbraw/zinc/37/78/90/758377890.db2.gz GJUZAASGQZMWCX-CRAIPNDOSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001077160368 758380147 /nfs/dbraw/zinc/38/01/47/758380147.db2.gz XUEQVSNWCCITFX-VQHPVUNQSA-N 1 1 348.447 0.625 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001077160302 758380493 /nfs/dbraw/zinc/38/04/93/758380493.db2.gz URGOXDAHOPVKRB-VQHPVUNQSA-N 1 1 346.431 0.072 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC001077160302 758380498 /nfs/dbraw/zinc/38/04/98/758380498.db2.gz URGOXDAHOPVKRB-VQHPVUNQSA-N 1 1 346.431 0.072 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3=CCOCC3)CCC[C@@H]12 ZINC001107372163 758395656 /nfs/dbraw/zinc/39/56/56/758395656.db2.gz RSEKWEVXMBPEGP-VQIMIIECSA-N 1 1 347.459 0.996 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@](C)(O)C=C)CCC[C@@H]12 ZINC001107378746 758408417 /nfs/dbraw/zinc/40/84/17/758408417.db2.gz KLCMTBOHRGTTOZ-AYOQOUSVSA-N 1 1 347.459 0.424 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](OC)C3CC3)CCC[C@@H]12 ZINC001107388946 758415044 /nfs/dbraw/zinc/41/50/44/758415044.db2.gz DAIIDMSZQRYLGP-SZVBFZGTSA-N 1 1 347.459 0.522 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107381959 758425881 /nfs/dbraw/zinc/42/58/81/758425881.db2.gz XHQWOWPMCWGRGS-BPQIPLTHSA-N 1 1 347.463 0.966 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)C#CC1CC1 ZINC001011737896 758445772 /nfs/dbraw/zinc/44/57/72/758445772.db2.gz ANSPCOLMMAMCHN-SWLSCSKDSA-N 1 1 344.415 0.869 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107402963 758472774 /nfs/dbraw/zinc/47/27/74/758472774.db2.gz VSUGYAOFMYFWGJ-LZLYRXPVSA-N 1 1 345.447 0.677 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107403173 758474281 /nfs/dbraw/zinc/47/42/81/758474281.db2.gz YEMTZGIMARXUFU-JFIYKMOQSA-N 1 1 338.448 0.394 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001077193491 758474601 /nfs/dbraw/zinc/47/46/01/758474601.db2.gz HAQYRABDLSBEIS-GHMZBOCLSA-N 1 1 330.310 0.846 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](O)COC)CC2 ZINC001107404754 758482382 /nfs/dbraw/zinc/48/23/82/758482382.db2.gz LXYPHWUCNJECSF-LZLYRXPVSA-N 1 1 338.448 0.394 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC=C)CC2 ZINC001107401335 758499042 /nfs/dbraw/zinc/49/90/42/758499042.db2.gz IRXASQSJBKFUQX-GPMSIDNRSA-N 1 1 347.459 0.688 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077237805 758572909 /nfs/dbraw/zinc/57/29/09/758572909.db2.gz RUVGNIFXNSNBOQ-FRRDWIJNSA-N 1 1 346.269 0.541 20 30 ECEDMO N#Cc1ccccc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777663 758600162 /nfs/dbraw/zinc/60/01/62/758600162.db2.gz APUMDVXBOIBLDX-IRXDYDNUSA-N 1 1 328.416 0.627 20 30 ECEDMO N#Cc1ccccc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777663 758600169 /nfs/dbraw/zinc/60/01/69/758600169.db2.gz APUMDVXBOIBLDX-IRXDYDNUSA-N 1 1 328.416 0.627 20 30 ECEDMO C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)CSCC#N ZINC001077253675 758603774 /nfs/dbraw/zinc/60/37/74/758603774.db2.gz UHXHHEBZJQJXCD-STQMWFEESA-N 1 1 326.466 0.738 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)S(C)(=O)=O)CCC[C@@H]12 ZINC001107453835 758611494 /nfs/dbraw/zinc/61/14/94/758611494.db2.gz CCFOEPRIXDHTCL-IIAWOOMASA-N 1 1 326.462 0.804 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnn(C)c1OC ZINC001089896014 758614926 /nfs/dbraw/zinc/61/49/26/758614926.db2.gz JDPCDUZJVSHSRX-UKMLZYKCSA-N 1 1 328.416 0.844 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)C1 ZINC001107465468 758622458 /nfs/dbraw/zinc/62/24/58/758622458.db2.gz CBAZWZUJCIYHIX-BWPKMQGJSA-N 1 1 344.419 0.542 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)N1CCOCC1 ZINC001049468931 758765858 /nfs/dbraw/zinc/76/58/58/758765858.db2.gz YRYUXLRTAPXCLN-IRXDYDNUSA-N 1 1 345.443 0.324 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)N1CCOCC1 ZINC001049468931 758765863 /nfs/dbraw/zinc/76/58/63/758765863.db2.gz YRYUXLRTAPXCLN-IRXDYDNUSA-N 1 1 345.443 0.324 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)N1CCOCC1 ZINC001049468930 758766750 /nfs/dbraw/zinc/76/67/50/758766750.db2.gz YRYUXLRTAPXCLN-IAGOWNOFSA-N 1 1 345.443 0.324 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)N1CCOCC1 ZINC001049468930 758766752 /nfs/dbraw/zinc/76/67/52/758766752.db2.gz YRYUXLRTAPXCLN-IAGOWNOFSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099565986 758773368 /nfs/dbraw/zinc/77/33/68/758773368.db2.gz LKAUPBTVZUJXBT-HOTGVXAUSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099565986 758773375 /nfs/dbraw/zinc/77/33/75/758773375.db2.gz LKAUPBTVZUJXBT-HOTGVXAUSA-N 1 1 349.475 0.768 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(OC)cccc2OC)C1 ZINC001077317530 758782581 /nfs/dbraw/zinc/78/25/81/758782581.db2.gz XNTODKLXYRNUDF-HUUCEWRRSA-N 1 1 332.400 0.431 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(OC)cccc2OC)C1 ZINC001077317530 758782583 /nfs/dbraw/zinc/78/25/83/758782583.db2.gz XNTODKLXYRNUDF-HUUCEWRRSA-N 1 1 332.400 0.431 20 30 ECEDMO C[N@@H+](CC(=O)NC/C=C\CNc1ccnc(C#N)n1)CC(C)(C)C ZINC001107513998 758791479 /nfs/dbraw/zinc/79/14/79/758791479.db2.gz RXIWXJUOAMEOCT-WAYWQWQTSA-N 1 1 330.436 0.832 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001049505728 758819825 /nfs/dbraw/zinc/81/98/25/758819825.db2.gz RTONKYAIEQUKDK-YESZJQIVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](Cn1cccn1)N(C)C ZINC001049518603 758846995 /nfs/dbraw/zinc/84/69/95/758846995.db2.gz UVMSXTXQLQDXCI-RCCFBDPRSA-N 1 1 343.475 0.902 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001083573927 758866700 /nfs/dbraw/zinc/86/67/00/758866700.db2.gz ZWHDGUDMQOPCCV-KURKYZTESA-N 1 1 342.443 0.704 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001049542191 758896624 /nfs/dbraw/zinc/89/66/24/758896624.db2.gz HANVHIZVYLEEPQ-JYJNAYRXSA-N 1 1 339.480 0.961 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001049559439 758921598 /nfs/dbraw/zinc/92/15/98/758921598.db2.gz HBOLXYZZHYLXBW-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001049566468 758931150 /nfs/dbraw/zinc/93/11/50/758931150.db2.gz CTPVJZMZWKPOPM-RYUDHWBXSA-N 1 1 339.417 0.792 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049580266 758957287 /nfs/dbraw/zinc/95/72/87/758957287.db2.gz UMEAPBRNNIKQKR-UONOGXRCSA-N 1 1 332.404 0.590 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049608848 758987691 /nfs/dbraw/zinc/98/76/91/758987691.db2.gz SMVDVGYPDBMONZ-KKUMJFAQSA-N 1 1 329.404 0.617 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049610113 758990063 /nfs/dbraw/zinc/99/00/63/758990063.db2.gz ZIUNTYSKMCEENA-KKUMJFAQSA-N 1 1 327.388 0.064 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(Br)c2)C1 ZINC001077402950 759011077 /nfs/dbraw/zinc/01/10/77/759011077.db2.gz LSBYNAYJKUCYIA-GHMZBOCLSA-N 1 1 326.194 0.575 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001049631319 759019625 /nfs/dbraw/zinc/01/96/25/759019625.db2.gz WCNHUHQZZNQRRV-CHWSQXEVSA-N 1 1 340.391 0.006 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)cc1C#N ZINC001049691519 759105645 /nfs/dbraw/zinc/10/56/45/759105645.db2.gz MKLFXSPRLMYCBE-HUUCEWRRSA-N 1 1 342.399 0.617 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)cc1C#N ZINC001049691519 759105673 /nfs/dbraw/zinc/10/56/73/759105673.db2.gz MKLFXSPRLMYCBE-HUUCEWRRSA-N 1 1 342.399 0.617 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049722657 759133619 /nfs/dbraw/zinc/13/36/19/759133619.db2.gz KTOYLGPBOWGAER-WCXIOVBPSA-N 1 1 347.459 0.711 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001049732492 759145088 /nfs/dbraw/zinc/14/50/88/759145088.db2.gz NOEMBQBXBCFXNS-WCVJEAGWSA-N 1 1 335.448 0.731 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001083591315 759146063 /nfs/dbraw/zinc/14/60/63/759146063.db2.gz XGCIRAGVTLMLQR-OLZOCXBDSA-N 1 1 328.800 0.264 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncc(C)cn3)C2)nn1 ZINC001022824650 759146805 /nfs/dbraw/zinc/14/68/05/759146805.db2.gz KPTRESDRBFUYOM-BETUJISGSA-N 1 1 327.392 0.613 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001049739869 759152566 /nfs/dbraw/zinc/15/25/66/759152566.db2.gz RUAAGQONJLUFSW-HRCADAONSA-N 1 1 342.447 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001049738075 759152655 /nfs/dbraw/zinc/15/26/55/759152655.db2.gz HPWZKCNYKTZCTG-OWCLPIDISA-N 1 1 342.447 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCS(=O)(=O)CC1 ZINC001049767851 759181779 /nfs/dbraw/zinc/18/17/79/759181779.db2.gz HMUQCOSXZCEJRY-HOTGVXAUSA-N 1 1 338.473 0.900 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncn2nccc2c1=O ZINC001049768628 759182580 /nfs/dbraw/zinc/18/25/80/759182580.db2.gz KWVGXCMUHIOHTQ-KBPBESRZSA-N 1 1 342.403 0.142 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001049769783 759184308 /nfs/dbraw/zinc/18/43/08/759184308.db2.gz QIVLXIWZYBLTLS-HUUCEWRRSA-N 1 1 346.431 0.339 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049778554 759193836 /nfs/dbraw/zinc/19/38/36/759193836.db2.gz PUJWTMFEIAFMCO-HPGRBHQUSA-N 1 1 346.431 0.616 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049787292 759205462 /nfs/dbraw/zinc/20/54/62/759205462.db2.gz GVBJHCLLYDODNI-GJZGRUSLSA-N 1 1 346.431 0.568 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049789725 759212946 /nfs/dbraw/zinc/21/29/46/759212946.db2.gz FKBOCMYTLKHGOS-KBPBESRZSA-N 1 1 334.420 0.570 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2coc(-c3cccnc3)n2)[C@@H](O)C1 ZINC001083606141 759262731 /nfs/dbraw/zinc/26/27/31/759262731.db2.gz IYAQXZHVJGLQON-HIFRSBDPSA-N 1 1 326.356 0.535 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2coc(-c3cccnc3)n2)[C@@H](O)C1 ZINC001083606141 759262737 /nfs/dbraw/zinc/26/27/37/759262737.db2.gz IYAQXZHVJGLQON-HIFRSBDPSA-N 1 1 326.356 0.535 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O ZINC001049839471 759278828 /nfs/dbraw/zinc/27/88/28/759278828.db2.gz IFZZICFBBAQOAR-KGLIPLIRSA-N 1 1 334.420 0.522 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049846154 759293558 /nfs/dbraw/zinc/29/35/58/759293558.db2.gz DPITVHIMPRZKNH-UONOGXRCSA-N 1 1 340.387 0.120 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nc(C)ccc1=O ZINC001049852939 759304498 /nfs/dbraw/zinc/30/44/98/759304498.db2.gz BCXJZYDHFBSTFV-CVEARBPZSA-N 1 1 328.416 0.640 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)N(C)C)nc1 ZINC001049855195 759305691 /nfs/dbraw/zinc/30/56/91/759305691.db2.gz PPOPNTFVXLPRBC-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)N(C)C)nc1 ZINC001049855195 759305701 /nfs/dbraw/zinc/30/57/01/759305701.db2.gz PPOPNTFVXLPRBC-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001049885974 759349166 /nfs/dbraw/zinc/34/91/66/759349166.db2.gz QZDRULZHDUVZNC-MELADBBJSA-N 1 1 334.420 0.616 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049886381 759349327 /nfs/dbraw/zinc/34/93/27/759349327.db2.gz TXSGTUOUMNUQBY-UONOGXRCSA-N 1 1 330.388 0.188 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O ZINC001049887394 759350710 /nfs/dbraw/zinc/35/07/10/759350710.db2.gz WNXGPAWFTNWVBI-KGLIPLIRSA-N 1 1 334.420 0.522 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049886985 759351680 /nfs/dbraw/zinc/35/16/80/759351680.db2.gz XPIOVGFLTNNRHP-KGLIPLIRSA-N 1 1 332.404 0.741 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1nc2ncccn2n1 ZINC001049889820 759354965 /nfs/dbraw/zinc/35/49/65/759354965.db2.gz JEIMSWAHBXVATG-CABCVRRESA-N 1 1 338.415 0.755 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)NC)c2)C1 ZINC001047634042 759358322 /nfs/dbraw/zinc/35/83/22/759358322.db2.gz SVZTVUHFEABBHB-HOTGVXAUSA-N 1 1 329.400 0.187 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)NC)c2)C1 ZINC001047634042 759358333 /nfs/dbraw/zinc/35/83/33/759358333.db2.gz SVZTVUHFEABBHB-HOTGVXAUSA-N 1 1 329.400 0.187 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cncc(C(N)=O)c1 ZINC001049901170 759380044 /nfs/dbraw/zinc/38/00/44/759380044.db2.gz XIZSRHQNLNRONK-JKSUJKDBSA-N 1 1 326.400 0.883 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001047640561 759383031 /nfs/dbraw/zinc/38/30/31/759383031.db2.gz SQLLERUKNVWJDN-HOTGVXAUSA-N 1 1 343.431 0.970 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OCC=C)cc2)C1 ZINC001047640904 759384690 /nfs/dbraw/zinc/38/46/90/759384690.db2.gz LIAWXPJMNHWLTD-ROUUACIJSA-N 1 1 328.412 0.931 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OCC=C)cc2)C1 ZINC001047640904 759384696 /nfs/dbraw/zinc/38/46/96/759384696.db2.gz LIAWXPJMNHWLTD-ROUUACIJSA-N 1 1 328.412 0.931 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001047644217 759393101 /nfs/dbraw/zinc/39/31/01/759393101.db2.gz DANTYRIWKAFTCF-GJZGRUSLSA-N 1 1 343.387 0.989 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001050024817 759565143 /nfs/dbraw/zinc/56/51/43/759565143.db2.gz LFWOJEOPRCALSW-TUKIKUTGSA-N 1 1 329.404 0.687 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3nc(C)c(C)[nH]c3=O)[C@@H]2C1 ZINC001050075753 759660180 /nfs/dbraw/zinc/66/01/80/759660180.db2.gz LBOCJJGNGDHGBI-LSDHHAIUSA-N 1 1 328.416 0.946 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(OC2C[NH+]([C@@H](C)COC)C2)CC1 ZINC001105708775 759670510 /nfs/dbraw/zinc/67/05/10/759670510.db2.gz YVQRTIFUYMZNLE-LSDHHAIUSA-N 1 1 338.448 0.751 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 ZINC001050102252 759703645 /nfs/dbraw/zinc/70/36/45/759703645.db2.gz ROXPGWNEBYHOMC-LSDHHAIUSA-N 1 1 333.436 0.471 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050103193 759708127 /nfs/dbraw/zinc/70/81/27/759708127.db2.gz JQZPNYRJDQQQFL-KGLIPLIRSA-N 1 1 349.460 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH2+]Cc3nnn(C)n3)C2)cc1 ZINC001047929679 759709640 /nfs/dbraw/zinc/70/96/40/759709640.db2.gz UNEYSWCCSHTZGA-XJKSGUPXSA-N 1 1 338.415 0.832 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050105580 759715274 /nfs/dbraw/zinc/71/52/74/759715274.db2.gz XUIGDZVVBVWZLR-KGLIPLIRSA-N 1 1 340.493 0.937 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)cc2C1 ZINC001054281221 767891968 /nfs/dbraw/zinc/89/19/68/767891968.db2.gz HATONHQUYDKEQT-DLBZAZTESA-N 1 1 341.411 0.675 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)cc2C1 ZINC001054281345 767892420 /nfs/dbraw/zinc/89/24/20/767892420.db2.gz INGBPYVEXWKEKS-DLBZAZTESA-N 1 1 341.411 0.675 20 30 ECEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)cc2C1 ZINC001054281345 767892426 /nfs/dbraw/zinc/89/24/26/767892426.db2.gz INGBPYVEXWKEKS-DLBZAZTESA-N 1 1 341.411 0.675 20 30 ECEDMO Cn1ncc(C[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)n1 ZINC000995633086 759893438 /nfs/dbraw/zinc/89/34/38/759893438.db2.gz ILMAYSLNLMRSMU-AWEZNQCLSA-N 1 1 327.392 0.655 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=C)C)nn2)C1 ZINC001098672621 759904923 /nfs/dbraw/zinc/90/49/23/759904923.db2.gz GVVISOMGNYAIDB-INIZCTEOSA-N 1 1 331.420 0.757 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)cc1 ZINC001048331610 760318384 /nfs/dbraw/zinc/31/83/84/760318384.db2.gz QNZLFSNGLSMFJJ-CZUORRHYSA-N 1 1 338.415 0.689 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)CCC)C[C@@H](C)O2 ZINC001111533878 767947037 /nfs/dbraw/zinc/94/70/37/767947037.db2.gz PASIJVPOYDTAMJ-OAHLLOKOSA-N 1 1 335.448 0.618 20 30 ECEDMO Cn1cnnc1C[NH2+][C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C ZINC000995705120 760443486 /nfs/dbraw/zinc/44/34/86/760443486.db2.gz ILUWPWXMPLYYQI-ZDUSSCGKSA-N 1 1 327.392 0.655 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001106225857 767970922 /nfs/dbraw/zinc/97/09/22/767970922.db2.gz JPHZLCCRQJLTSV-QLFBSQMISA-N 1 1 347.463 0.717 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(C)c(=O)cn1)C2 ZINC001048550275 760698427 /nfs/dbraw/zinc/69/84/27/760698427.db2.gz UCFIVNALYOLYBW-QDMKHBRRSA-N 1 1 328.416 0.776 20 30 ECEDMO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001048569247 760731187 /nfs/dbraw/zinc/73/11/87/760731187.db2.gz NWSQCINZCDDXCE-XGUBFFRZSA-N 1 1 348.447 0.910 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001050734992 760754460 /nfs/dbraw/zinc/75/44/60/760754460.db2.gz DUJJGAAHNNALMX-JKSUJKDBSA-N 1 1 346.431 0.585 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1c1cncc(C#N)n1 ZINC001048586845 760758745 /nfs/dbraw/zinc/75/87/45/760758745.db2.gz CWLWNOWTDATJDP-ZNMIVQPWSA-N 1 1 328.420 0.916 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC000995915946 760812149 /nfs/dbraw/zinc/81/21/49/760812149.db2.gz HOCVMQMYTKMPRJ-CQSZACIVSA-N 1 1 343.435 0.838 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001050779397 760835184 /nfs/dbraw/zinc/83/51/84/760835184.db2.gz LOUYJXAYPAMCGT-HOCLYGCPSA-N 1 1 346.431 0.585 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cnns4)C[C@H]3C2)C1=O ZINC001048703267 760976649 /nfs/dbraw/zinc/97/66/49/760976649.db2.gz PVUKXVDBQBYVFS-FRRDWIJNSA-N 1 1 347.444 0.329 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@@H]2C1 ZINC001048725011 761047920 /nfs/dbraw/zinc/04/79/20/761047920.db2.gz MQLDHFUBQJKBBY-HGTKMLMNSA-N 1 1 330.432 0.690 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC[C@H](C)C3)C[C@@H]2C1 ZINC001048727695 761054666 /nfs/dbraw/zinc/05/46/66/761054666.db2.gz MBASEESXWUCIKZ-XUWVNRHRSA-N 1 1 332.448 0.795 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)c[nH]1 ZINC001050880888 761063639 /nfs/dbraw/zinc/06/36/39/761063639.db2.gz ZDOWDRTWHSIJFM-BBRMVZONSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H]2CCCOC2)c[nH]1 ZINC001050880888 761063649 /nfs/dbraw/zinc/06/36/49/761063649.db2.gz ZDOWDRTWHSIJFM-BBRMVZONSA-N 1 1 332.404 0.744 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4ccon4)C[C@H]3C2)C1=O ZINC001048733118 761068664 /nfs/dbraw/zinc/06/86/64/761068664.db2.gz YXBIFHAPAWZBEQ-LZWOXQAQSA-N 1 1 344.415 0.394 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC000991478516 761134537 /nfs/dbraw/zinc/13/45/37/761134537.db2.gz BDFSFNYKJFMXOT-LSDHHAIUSA-N 1 1 348.447 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1coc(C)n1 ZINC001050962357 761230510 /nfs/dbraw/zinc/23/05/10/761230510.db2.gz JXVKGXKXNWCIRF-IRXDYDNUSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1coc(C)n1 ZINC001050962357 761230511 /nfs/dbraw/zinc/23/05/11/761230511.db2.gz JXVKGXKXNWCIRF-IRXDYDNUSA-N 1 1 346.431 0.398 20 30 ECEDMO C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001050982239 761270843 /nfs/dbraw/zinc/27/08/43/761270843.db2.gz OBRYPJGGQRIZJO-MGPQQGTHSA-N 1 1 331.844 0.275 20 30 ECEDMO C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001050982239 761270846 /nfs/dbraw/zinc/27/08/46/761270846.db2.gz OBRYPJGGQRIZJO-MGPQQGTHSA-N 1 1 331.844 0.275 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)[C@]3(C)CCC(=O)N3)C2)C1=O ZINC001030033896 761292830 /nfs/dbraw/zinc/29/28/30/761292830.db2.gz IXTNPLVNMUXBHM-IYOUNJFTSA-N 1 1 348.447 0.023 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)[C@]3(C)CCC(=O)N3)C2)C1=O ZINC001030033896 761292834 /nfs/dbraw/zinc/29/28/34/761292834.db2.gz IXTNPLVNMUXBHM-IYOUNJFTSA-N 1 1 348.447 0.023 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(c3ccnc(C#N)n3)[C@@H]2C)C1 ZINC001051014768 761339427 /nfs/dbraw/zinc/33/94/27/761339427.db2.gz CTZFZZDZPFOOIB-MCIONIFRSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)C(C)(C)NC(C)=O)CC2)C1 ZINC001105728556 761363467 /nfs/dbraw/zinc/36/34/67/761363467.db2.gz ZCUXJMXHMHVJDU-UHFFFAOYSA-N 1 1 335.448 0.616 20 30 ECEDMO COCC#CCN1CC(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001105734091 761409489 /nfs/dbraw/zinc/40/94/89/761409489.db2.gz YOQCWZXJZOWPIL-MRXNPFEDSA-N 1 1 349.475 0.280 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)nn1 ZINC001054566582 768043758 /nfs/dbraw/zinc/04/37/58/768043758.db2.gz BEKZHWVLHQIIBB-IAQYHMDHSA-N 1 1 327.392 0.748 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1CNc1ccnc(C#N)n1 ZINC001060285202 761766660 /nfs/dbraw/zinc/76/66/60/761766660.db2.gz QDRNWAPSCGYOSZ-CQSZACIVSA-N 1 1 339.403 0.768 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CN(C)C(=O)N3)cccc2C1 ZINC001051296910 761846059 /nfs/dbraw/zinc/84/60/59/761846059.db2.gz CGTSPIYEMYMUIA-MRXNPFEDSA-N 1 1 326.400 0.318 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCN(C)C3=O)cccc2C1 ZINC001051297531 761847577 /nfs/dbraw/zinc/84/75/77/761847577.db2.gz QXVJLJRJUASTRP-KRWDZBQOSA-N 1 1 325.412 0.772 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(=O)n(CCOC)n3)CCC[C@H]12 ZINC000991712597 762900437 /nfs/dbraw/zinc/90/04/37/762900437.db2.gz QHNYBDUAUFGEQM-YJBOKZPZSA-N 1 1 346.431 0.803 20 30 ECEDMO CCc1nc(C#N)cc(NCC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001106294168 768095983 /nfs/dbraw/zinc/09/59/83/768095983.db2.gz PPKWHUKBFXWBNW-JSGCOSHPSA-N 1 1 346.435 0.548 20 30 ECEDMO CCc1nc(C#N)cc(NCC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001106294168 768095989 /nfs/dbraw/zinc/09/59/89/768095989.db2.gz PPKWHUKBFXWBNW-JSGCOSHPSA-N 1 1 346.435 0.548 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)c1 ZINC001014709803 763023280 /nfs/dbraw/zinc/02/32/80/763023280.db2.gz DCOCBYWAWOUFRV-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)ccc1F ZINC001014711005 763025340 /nfs/dbraw/zinc/02/53/40/763025340.db2.gz KYHVVGOCLDUWOF-HIFRSBDPSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)ccc1F ZINC001014711005 763025348 /nfs/dbraw/zinc/02/53/48/763025348.db2.gz KYHVVGOCLDUWOF-HIFRSBDPSA-N 1 1 344.390 0.914 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H](C[NH2+][C@H](C)c3nnnn3C)C2)C1 ZINC001051814947 763029436 /nfs/dbraw/zinc/02/94/36/763029436.db2.gz MVUGNXSWCOWBMQ-OLZOCXBDSA-N 1 1 334.424 0.444 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001014725694 763043093 /nfs/dbraw/zinc/04/30/93/763043093.db2.gz QMLDWHJPPLIJDO-JKSUJKDBSA-N 1 1 343.431 0.736 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001051833920 763075905 /nfs/dbraw/zinc/07/59/05/763075905.db2.gz APNPUCFVWDUMJT-KFWWJZLASA-N 1 1 332.404 0.385 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cn(C(C)C)nn2)C1 ZINC001014768546 763123024 /nfs/dbraw/zinc/12/30/24/763123024.db2.gz DGNWZHYUMLMROW-WBVHZDCISA-N 1 1 344.463 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cn(C(C)C)nn2)C1 ZINC001014768546 763123028 /nfs/dbraw/zinc/12/30/28/763123028.db2.gz DGNWZHYUMLMROW-WBVHZDCISA-N 1 1 344.463 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cnccc3C)C2)C1=O ZINC001014776876 763135904 /nfs/dbraw/zinc/13/59/04/763135904.db2.gz REZFNARSJWRPLG-IAGOWNOFSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cnccc3C)C2)C1=O ZINC001014776876 763135912 /nfs/dbraw/zinc/13/59/12/763135912.db2.gz REZFNARSJWRPLG-IAGOWNOFSA-N 1 1 342.443 0.910 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001105973027 763137155 /nfs/dbraw/zinc/13/71/55/763137155.db2.gz SNGRXTWSFKSQCP-HZPDHXFCSA-N 1 1 331.420 0.715 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001105972895 763137215 /nfs/dbraw/zinc/13/72/15/763137215.db2.gz RRGNGUDDKFFCRI-KGLIPLIRSA-N 1 1 332.408 0.110 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051867006 763151703 /nfs/dbraw/zinc/15/17/03/763151703.db2.gz AWNCNDIEROULNY-KKUMJFAQSA-N 1 1 336.392 0.368 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccc(C#N)nc3)C2)C1 ZINC001051878258 763186875 /nfs/dbraw/zinc/18/68/75/763186875.db2.gz IYNCFWMZDSULQC-VDSRIPIWSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccc(C#N)nc3)C2)C1 ZINC001051878258 763186883 /nfs/dbraw/zinc/18/68/83/763186883.db2.gz IYNCFWMZDSULQC-VDSRIPIWSA-N 1 1 329.404 0.591 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046829718 763187916 /nfs/dbraw/zinc/18/79/16/763187916.db2.gz MOQKOBYWOXEROI-AWEZNQCLSA-N 1 1 326.784 0.433 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046829718 763187920 /nfs/dbraw/zinc/18/79/20/763187920.db2.gz MOQKOBYWOXEROI-AWEZNQCLSA-N 1 1 326.784 0.433 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccn(C)n3)C2)C1=O ZINC001046840672 763206591 /nfs/dbraw/zinc/20/65/91/763206591.db2.gz ZZTGSWCECSGVOM-YOEHRIQHSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccn(C)n3)C2)C1=O ZINC001046840672 763206603 /nfs/dbraw/zinc/20/66/03/763206603.db2.gz ZZTGSWCECSGVOM-YOEHRIQHSA-N 1 1 331.420 0.401 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CCCNC1=O ZINC001014811988 763215384 /nfs/dbraw/zinc/21/53/84/763215384.db2.gz PSBTZOHIJGBGHJ-SJORKVTESA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCCNC1=O ZINC001014811988 763215390 /nfs/dbraw/zinc/21/53/90/763215390.db2.gz PSBTZOHIJGBGHJ-SJORKVTESA-N 1 1 325.412 0.755 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)nc3CC)C2)C1=O ZINC001014840479 763286092 /nfs/dbraw/zinc/28/60/92/763286092.db2.gz FSLBFGUQMKRBOZ-XJKSGUPXSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)nc3CC)C2)C1=O ZINC001014840479 763286097 /nfs/dbraw/zinc/28/60/97/763286097.db2.gz FSLBFGUQMKRBOZ-XJKSGUPXSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@]2(C)CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001046895338 763325035 /nfs/dbraw/zinc/32/50/35/763325035.db2.gz DTFDKRLCBZVKQO-SUMWQHHRSA-N 1 1 346.435 0.342 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000940528275 763369742 /nfs/dbraw/zinc/36/97/42/763369742.db2.gz KOJHHEXJVDUNQF-LSDHHAIUSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001046930743 763408875 /nfs/dbraw/zinc/40/88/75/763408875.db2.gz IGPATVNKKDANSK-KBPBESRZSA-N 1 1 331.407 0.967 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1C ZINC001105992436 763413046 /nfs/dbraw/zinc/41/30/46/763413046.db2.gz NCXDINCGLSANFP-HZSPNIEDSA-N 1 1 348.451 0.112 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001046935072 763417083 /nfs/dbraw/zinc/41/70/83/763417083.db2.gz MDBQICZAXGUNIL-CQSZACIVSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccc(C(N)=O)cc2)C1 ZINC001030462019 763433853 /nfs/dbraw/zinc/43/38/53/763433853.db2.gz HQMFQHDXASSCFN-KRWDZBQOSA-N 1 1 340.427 0.184 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccc(C(N)=O)cc2)C1 ZINC001030462019 763433858 /nfs/dbraw/zinc/43/38/58/763433858.db2.gz HQMFQHDXASSCFN-KRWDZBQOSA-N 1 1 340.427 0.184 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001054654914 768133948 /nfs/dbraw/zinc/13/39/48/768133948.db2.gz HAELATAIKWWIRO-HIFRSBDPSA-N 1 1 330.436 0.823 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001046946174 763436688 /nfs/dbraw/zinc/43/66/88/763436688.db2.gz TYHMZRSJSWNKSE-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001046946733 763438246 /nfs/dbraw/zinc/43/82/46/763438246.db2.gz YCSRPUSBFSFSAC-ZIAGYGMSSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001046946733 763438264 /nfs/dbraw/zinc/43/82/64/763438264.db2.gz YCSRPUSBFSFSAC-ZIAGYGMSSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001046950111 763444108 /nfs/dbraw/zinc/44/41/08/763444108.db2.gz FBUAMMPSMFROEV-OLZOCXBDSA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001046952507 763450869 /nfs/dbraw/zinc/45/08/69/763450869.db2.gz YWCVPTZKEXLXSQ-QWHCGFSZSA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001046952507 763450876 /nfs/dbraw/zinc/45/08/76/763450876.db2.gz YWCVPTZKEXLXSQ-QWHCGFSZSA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(CC)s2)C1 ZINC001030464248 763455838 /nfs/dbraw/zinc/45/58/38/763455838.db2.gz MKAIQNXAULIJKJ-ZDUSSCGKSA-N 1 1 333.461 0.499 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(CC)s2)C1 ZINC001030464248 763455843 /nfs/dbraw/zinc/45/58/43/763455843.db2.gz MKAIQNXAULIJKJ-ZDUSSCGKSA-N 1 1 333.461 0.499 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCC[C@@H](C)C2)C1 ZINC001030464340 763457445 /nfs/dbraw/zinc/45/74/45/763457445.db2.gz PREZUFJENKUASK-WBVHZDCISA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCC[C@@H](C)C2)C1 ZINC001030464340 763457451 /nfs/dbraw/zinc/45/74/51/763457451.db2.gz PREZUFJENKUASK-WBVHZDCISA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001046955301 763457795 /nfs/dbraw/zinc/45/77/95/763457795.db2.gz ZIEDTLKCZODCMU-JXQTWKCFSA-N 1 1 341.402 0.985 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001046955301 763457797 /nfs/dbraw/zinc/45/77/97/763457797.db2.gz ZIEDTLKCZODCMU-JXQTWKCFSA-N 1 1 341.402 0.985 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014922753 763458483 /nfs/dbraw/zinc/45/84/83/763458483.db2.gz GHMUNBRJKKVSCY-FRRDWIJNSA-N 1 1 346.269 0.805 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014922753 763458490 /nfs/dbraw/zinc/45/84/90/763458490.db2.gz GHMUNBRJKKVSCY-FRRDWIJNSA-N 1 1 346.269 0.805 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001105994936 763479721 /nfs/dbraw/zinc/47/97/21/763479721.db2.gz KKJGEEOMBJWBCC-HUUCEWRRSA-N 1 1 346.435 0.500 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001046992948 763529091 /nfs/dbraw/zinc/52/90/91/763529091.db2.gz HQJITVDOHBXMCH-LLVKDONJSA-N 1 1 326.347 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001046993754 763529686 /nfs/dbraw/zinc/52/96/86/763529686.db2.gz WFKKXZBRZFGUMN-LLVKDONJSA-N 1 1 336.342 0.501 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001046993754 763529690 /nfs/dbraw/zinc/52/96/90/763529690.db2.gz WFKKXZBRZFGUMN-LLVKDONJSA-N 1 1 336.342 0.501 20 30 ECEDMO C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046994393 763531008 /nfs/dbraw/zinc/53/10/08/763531008.db2.gz FDUXBTYCHVJWCO-ZIAGYGMSSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994393 763531014 /nfs/dbraw/zinc/53/10/14/763531014.db2.gz FDUXBTYCHVJWCO-ZIAGYGMSSA-N 1 1 329.391 0.414 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 ZINC001047023125 763563401 /nfs/dbraw/zinc/56/34/01/763563401.db2.gz JJYFYJCANGALAO-RGCMKSIDSA-N 1 1 328.420 0.853 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 ZINC001047023746 763564130 /nfs/dbraw/zinc/56/41/30/763564130.db2.gz UILPVSLXNNGPGI-QHSBEEBCSA-N 1 1 328.420 0.853 20 30 ECEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001014981995 763607852 /nfs/dbraw/zinc/60/78/52/763607852.db2.gz VHVKXSQESOCMRB-GDBMZVCRSA-N 1 1 329.400 0.944 20 30 ECEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001014981995 763607857 /nfs/dbraw/zinc/60/78/57/763607857.db2.gz VHVKXSQESOCMRB-GDBMZVCRSA-N 1 1 329.400 0.944 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnnn3CC)C2)CC1 ZINC001052024869 763614439 /nfs/dbraw/zinc/61/44/39/763614439.db2.gz PMLWIJRSNMNJDE-HNNXBMFYSA-N 1 1 330.436 0.153 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001047068607 763622365 /nfs/dbraw/zinc/62/23/65/763622365.db2.gz REIJLMDTWLMPKI-RBSFLKMASA-N 1 1 342.447 0.951 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCc4cn[nH]c43)C2)CC1 ZINC001052028948 763624490 /nfs/dbraw/zinc/62/44/90/763624490.db2.gz VEYOTWCPMHSXBZ-IRXDYDNUSA-N 1 1 341.459 0.681 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030235 763628076 /nfs/dbraw/zinc/62/80/76/763628076.db2.gz KCMOFJLCSDNCPV-SJORKVTESA-N 1 1 343.475 0.765 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnn3CCC)C2)CC1 ZINC001052032758 763635358 /nfs/dbraw/zinc/63/53/58/763635358.db2.gz JQAZAWKWZAOXBI-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001052035601 763643108 /nfs/dbraw/zinc/64/31/08/763643108.db2.gz FFTTYURPOKMBKV-OALUTQOASA-N 1 1 346.519 0.816 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C2)CC1 ZINC001052036654 763649689 /nfs/dbraw/zinc/64/96/89/763649689.db2.gz RSHMBKUPSRRQLP-MRXNPFEDSA-N 1 1 342.447 0.007 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(F)cn3)C2)CC1 ZINC001052043204 763673790 /nfs/dbraw/zinc/67/37/90/763673790.db2.gz REPKFVRMQSZRIV-KRWDZBQOSA-N 1 1 330.407 0.615 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc(C4CC4)cn3)C2)CC1 ZINC001052044087 763676612 /nfs/dbraw/zinc/67/66/12/763676612.db2.gz CKVXYOZJKUZKFO-QGZVFWFLSA-N 1 1 342.447 0.503 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCn4nccc43)C2)CC1 ZINC001052044001 763676803 /nfs/dbraw/zinc/67/68/03/763676803.db2.gz AFJXSOSNDPFLAB-JKSUJKDBSA-N 1 1 342.447 0.503 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc(OC)n3)C2)CC1 ZINC001052048955 763699970 /nfs/dbraw/zinc/69/99/70/763699970.db2.gz HMMLVAAWNJBCIW-AWEZNQCLSA-N 1 1 331.420 0.503 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2C[C@@H](CNc3ccnc(C#N)n3)[C@H](C)C2)CC[N@H+]1C ZINC001054676306 768154682 /nfs/dbraw/zinc/15/46/82/768154682.db2.gz HAHMODSNCDXMAL-KBUPBQIOSA-N 1 1 342.447 0.617 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052051833 763712927 /nfs/dbraw/zinc/71/29/27/763712927.db2.gz CXYUZOWPSHYRMU-INIZCTEOSA-N 1 1 330.432 0.734 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052051833 763712935 /nfs/dbraw/zinc/71/29/35/763712935.db2.gz CXYUZOWPSHYRMU-INIZCTEOSA-N 1 1 330.432 0.734 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(=O)c(OC)co3)C2)CC1 ZINC001052052527 763715857 /nfs/dbraw/zinc/71/58/57/763715857.db2.gz PBFIHQZXQCBHKW-AWEZNQCLSA-N 1 1 347.415 0.667 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3coc(C(N)=O)c3)C2)CC1 ZINC001052056601 763728773 /nfs/dbraw/zinc/72/87/73/763728773.db2.gz FXABCVCKQVPHHM-OAHLLOKOSA-N 1 1 344.415 0.234 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001052057912 763733756 /nfs/dbraw/zinc/73/37/56/763733756.db2.gz VATTYWVGRIKCNP-IAGOWNOFSA-N 1 1 346.475 0.145 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000995149937 763750359 /nfs/dbraw/zinc/75/03/59/763750359.db2.gz ZJUASDSNAUJDHS-MRXNPFEDSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ncccc3OC)C2)CC1 ZINC001052068426 763761934 /nfs/dbraw/zinc/76/19/34/763761934.db2.gz IQIYMVKLDBGPHI-INIZCTEOSA-N 1 1 342.443 0.484 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)C1 ZINC001052068438 763762574 /nfs/dbraw/zinc/76/25/74/763762574.db2.gz IYRCAUATKPZJDH-MSOLQXFVSA-N 1 1 347.507 0.850 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3ccc(C#N)s3)C2)O1 ZINC001030515926 763762892 /nfs/dbraw/zinc/76/28/92/763762892.db2.gz NWPRKQQDYRZWTG-IAQYHMDHSA-N 1 1 334.445 0.639 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3ccc(C#N)s3)C2)O1 ZINC001030515926 763762897 /nfs/dbraw/zinc/76/28/97/763762897.db2.gz NWPRKQQDYRZWTG-IAQYHMDHSA-N 1 1 334.445 0.639 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(=O)n3C)C2)CC1 ZINC001052081524 763798324 /nfs/dbraw/zinc/79/83/24/763798324.db2.gz NBYSRAIQXNRKMG-HNNXBMFYSA-N 1 1 330.432 0.403 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(=O)n3C)C2)CC1 ZINC001052081524 763798330 /nfs/dbraw/zinc/79/83/30/763798330.db2.gz NBYSRAIQXNRKMG-HNNXBMFYSA-N 1 1 330.432 0.403 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)CC1 ZINC001052086396 763813548 /nfs/dbraw/zinc/81/35/48/763813548.db2.gz SYRXOWMKPOISKO-BRWVUGGUSA-N 1 1 341.459 0.375 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(CC)nc3C)C2)CC1 ZINC001052089148 763823431 /nfs/dbraw/zinc/82/34/31/763823431.db2.gz OHYYEFLAUZGFMA-MRXNPFEDSA-N 1 1 329.448 0.677 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001047234298 763823777 /nfs/dbraw/zinc/82/37/77/763823777.db2.gz UCEQAZUPKXISSV-JJRVBVJISA-N 1 1 343.431 0.981 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001047234298 763823786 /nfs/dbraw/zinc/82/37/86/763823786.db2.gz UCEQAZUPKXISSV-JJRVBVJISA-N 1 1 343.431 0.981 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3)C2)CC1 ZINC001052089449 763824447 /nfs/dbraw/zinc/82/44/47/763824447.db2.gz QYOUEQSNQSKUHI-DLBZAZTESA-N 1 1 329.448 0.686 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cscn3)C2)CC1 ZINC001052093143 763837053 /nfs/dbraw/zinc/83/70/53/763837053.db2.gz JVCXQMRRJSDSLB-MRXNPFEDSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4cccnn43)C2)CC1 ZINC001052094121 763839883 /nfs/dbraw/zinc/83/98/83/763839883.db2.gz XXNBGTZJSQIWRP-QGZVFWFLSA-N 1 1 337.427 0.800 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)COc3cccnc3)C2)CC1 ZINC001052098276 763853001 /nfs/dbraw/zinc/85/30/01/763853001.db2.gz HKGXFGIGCOXMFW-HNNXBMFYSA-N 1 1 329.404 0.202 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2nc(C)c(C)s2)C1 ZINC000991834425 763854316 /nfs/dbraw/zinc/85/43/16/763854316.db2.gz MVIBJBMGRMBKJN-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2nc(C)c(C)s2)C1 ZINC000991834425 763854326 /nfs/dbraw/zinc/85/43/26/763854326.db2.gz MVIBJBMGRMBKJN-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)CC1 ZINC001052106276 763879954 /nfs/dbraw/zinc/87/99/54/763879954.db2.gz GXRMNWIAERATKR-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106527 763881947 /nfs/dbraw/zinc/88/19/47/763881947.db2.gz NLWOIXKGHHQGFK-QGZVFWFLSA-N 1 1 329.448 0.297 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)CC3CCCC3)C2)C1=O ZINC001047289761 763894617 /nfs/dbraw/zinc/89/46/17/763894617.db2.gz KTDTVWCQONHQRW-IKGGRYGDSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)CC3CCCC3)C2)C1=O ZINC001047289761 763894621 /nfs/dbraw/zinc/89/46/21/763894621.db2.gz KTDTVWCQONHQRW-IKGGRYGDSA-N 1 1 349.475 0.857 20 30 ECEDMO C[C@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)c1cnn(C)c1 ZINC001052123431 763950111 /nfs/dbraw/zinc/95/01/11/763950111.db2.gz ILDBBSZSPXKYHW-HOCLYGCPSA-N 1 1 330.436 0.266 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC(Nc3cncc(C#N)n3)C2)O1 ZINC001052124397 763953362 /nfs/dbraw/zinc/95/33/62/763953362.db2.gz MCXJXFQDFHGSTJ-XZNOPERXSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC(Nc3cncc(C#N)n3)C2)O1 ZINC001052124397 763953370 /nfs/dbraw/zinc/95/33/70/763953370.db2.gz MCXJXFQDFHGSTJ-XZNOPERXSA-N 1 1 344.419 0.374 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nn(CC)nc3C)C2)CC1 ZINC001052125534 763954894 /nfs/dbraw/zinc/95/48/94/763954894.db2.gz UWCSDNBVUICGTO-MRXNPFEDSA-N 1 1 344.463 0.462 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@H](OC)C1 ZINC001212348795 764040537 /nfs/dbraw/zinc/04/05/37/764040537.db2.gz APROIZQHMSWXOW-HZPDHXFCSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnsn3)CC2)C1=O ZINC001052230656 764100250 /nfs/dbraw/zinc/10/02/50/764100250.db2.gz FQWASGJZXGUEJA-GXTWGEPZSA-N 1 1 349.460 0.909 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNCc3cnon3)C2)CC1 ZINC000995228033 764104864 /nfs/dbraw/zinc/10/48/64/764104864.db2.gz HAFGEKYRXACAHP-GOEBONIOSA-N 1 1 345.447 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccncc2C)C1 ZINC000991863899 764109761 /nfs/dbraw/zinc/10/97/61/764109761.db2.gz GYWZEHNVLBUVLF-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccncc2C)C1 ZINC000991863899 764109766 /nfs/dbraw/zinc/10/97/66/764109766.db2.gz GYWZEHNVLBUVLF-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnoc3CC)C2)C1=O ZINC001032018552 764137696 /nfs/dbraw/zinc/13/76/96/764137696.db2.gz LOWMYQJRXXYATH-AWEZNQCLSA-N 1 1 332.404 0.686 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001047375982 764154563 /nfs/dbraw/zinc/15/45/63/764154563.db2.gz PAXMZTAVPDEBLT-GJZGRUSLSA-N 1 1 342.399 0.821 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001127327798 768194911 /nfs/dbraw/zinc/19/49/11/768194911.db2.gz XJROAOLPSGNWIG-GFCCVEGCSA-N 1 1 333.436 0.228 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001047383838 764177184 /nfs/dbraw/zinc/17/71/84/764177184.db2.gz JYCJWBHSCGZEKC-NCOADZHNSA-N 1 1 344.459 0.843 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001047383838 764177188 /nfs/dbraw/zinc/17/71/88/764177188.db2.gz JYCJWBHSCGZEKC-NCOADZHNSA-N 1 1 344.459 0.843 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001106975828 764184381 /nfs/dbraw/zinc/18/43/81/764184381.db2.gz HHKCVQYYKFNCNO-RDJZCZTQSA-N 1 1 343.431 0.499 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001106976146 764186525 /nfs/dbraw/zinc/18/65/25/764186525.db2.gz VBEZCHUAJMGMEW-HUUCEWRRSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2[C@H](C)CCC3)C1 ZINC001047388587 764188354 /nfs/dbraw/zinc/18/83/54/764188354.db2.gz BPWZYJJRWSHXAG-KBMXLJTQSA-N 1 1 330.432 0.921 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)c1 ZINC001052284326 764192068 /nfs/dbraw/zinc/19/20/68/764192068.db2.gz BUXDQBFKOIIGOS-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047392430 764197117 /nfs/dbraw/zinc/19/71/17/764197117.db2.gz HRHAWAZACVWGRW-IKGGRYGDSA-N 1 1 347.459 0.162 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047392430 764197123 /nfs/dbraw/zinc/19/71/23/764197123.db2.gz HRHAWAZACVWGRW-IKGGRYGDSA-N 1 1 347.459 0.162 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047392513 764197186 /nfs/dbraw/zinc/19/71/86/764197186.db2.gz LXBMZFLATZSWDY-ULQDDVLXSA-N 1 1 347.459 0.162 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)c1 ZINC001052290295 764200409 /nfs/dbraw/zinc/20/04/09/764200409.db2.gz MZOPQOIJVAJTAL-GXTWGEPZSA-N 1 1 343.387 0.276 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398071 764214547 /nfs/dbraw/zinc/21/45/47/764214547.db2.gz BHJPBZLPYNMDNC-BPUTZDHNSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398071 764214556 /nfs/dbraw/zinc/21/45/56/764214556.db2.gz BHJPBZLPYNMDNC-BPUTZDHNSA-N 1 1 337.464 0.713 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001047398638 764217033 /nfs/dbraw/zinc/21/70/33/764217033.db2.gz ZFBOYCFDUFKKOO-HOTGVXAUSA-N 1 1 347.415 0.244 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001047401250 764224182 /nfs/dbraw/zinc/22/41/82/764224182.db2.gz IZPYSNKWOKBVAZ-IRXDYDNUSA-N 1 1 347.390 0.925 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001047401657 764225688 /nfs/dbraw/zinc/22/56/88/764225688.db2.gz BRMAKWSZEJDUKM-KKUMJFAQSA-N 1 1 337.464 0.713 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001047402880 764229921 /nfs/dbraw/zinc/22/99/21/764229921.db2.gz XGEPYTKLGMOORF-KKUMJFAQSA-N 1 1 335.448 0.160 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001047402880 764229927 /nfs/dbraw/zinc/22/99/27/764229927.db2.gz XGEPYTKLGMOORF-KKUMJFAQSA-N 1 1 335.448 0.160 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)c[nH]1 ZINC001052314028 764234630 /nfs/dbraw/zinc/23/46/30/764234630.db2.gz FXRWFSKFFFDBJH-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052319038 764241953 /nfs/dbraw/zinc/24/19/53/764241953.db2.gz QFUFXDJAVKRGGI-JSGCOSHPSA-N 1 1 331.420 0.947 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052319872 764243604 /nfs/dbraw/zinc/24/36/04/764243604.db2.gz LKJNHQYVASJXES-LBPRGKRZSA-N 1 1 338.433 0.515 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052319872 764243606 /nfs/dbraw/zinc/24/36/06/764243606.db2.gz LKJNHQYVASJXES-LBPRGKRZSA-N 1 1 338.433 0.515 20 30 ECEDMO Cn1cc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)nn1 ZINC001052321022 764245272 /nfs/dbraw/zinc/24/52/72/764245272.db2.gz YFTLMPVXZILSMR-LBPRGKRZSA-N 1 1 327.392 0.799 20 30 ECEDMO Cn1cc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)nn1 ZINC001052321022 764245277 /nfs/dbraw/zinc/24/52/77/764245277.db2.gz YFTLMPVXZILSMR-LBPRGKRZSA-N 1 1 327.392 0.799 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001047407053 764247761 /nfs/dbraw/zinc/24/77/61/764247761.db2.gz BVOYYFJVDDEEEO-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3ccnn32)C1 ZINC001047407382 764249825 /nfs/dbraw/zinc/24/98/25/764249825.db2.gz HPBVTCXRRJBNKF-GJZGRUSLSA-N 1 1 329.404 0.813 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2C[NH+](CCN3CCCC3=O)C2)nn1 ZINC001032041775 764256966 /nfs/dbraw/zinc/25/69/66/764256966.db2.gz APEHLGSNLTVCFN-UHFFFAOYSA-N 1 1 346.435 0.138 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001047410495 764259174 /nfs/dbraw/zinc/25/91/74/764259174.db2.gz KXDNUGDPJRCFGN-IKGGRYGDSA-N 1 1 341.411 0.040 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001047412650 764265401 /nfs/dbraw/zinc/26/54/01/764265401.db2.gz CVGKHPNNLKVQRT-IRXDYDNUSA-N 1 1 341.411 0.251 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cccnc2)C[C@@H]1O ZINC001047415108 764273021 /nfs/dbraw/zinc/27/30/21/764273021.db2.gz HIOWVXITOLHLMO-BZSNNMDCSA-N 1 1 342.443 0.183 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cccnc2)C[C@@H]1O ZINC001047415108 764273030 /nfs/dbraw/zinc/27/30/30/764273030.db2.gz HIOWVXITOLHLMO-BZSNNMDCSA-N 1 1 342.443 0.183 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106987921 764274605 /nfs/dbraw/zinc/27/46/05/764274605.db2.gz FUORAMORNWUJPJ-CZUORRHYSA-N 1 1 331.420 0.355 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106987921 764274610 /nfs/dbraw/zinc/27/46/10/764274610.db2.gz FUORAMORNWUJPJ-CZUORRHYSA-N 1 1 331.420 0.355 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106988423 764277661 /nfs/dbraw/zinc/27/76/61/764277661.db2.gz YOYCNQHVMOCXCS-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106988423 764277666 /nfs/dbraw/zinc/27/76/66/764277666.db2.gz YOYCNQHVMOCXCS-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC001032043561 764279180 /nfs/dbraw/zinc/27/91/80/764279180.db2.gz HYNHIMJANXNPTM-KCXAZCMYSA-N 1 1 335.448 0.683 20 30 ECEDMO COC1CC(C(=O)N(C)[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001047418999 764287599 /nfs/dbraw/zinc/28/75/99/764287599.db2.gz CUJVXCAWCFMRGO-FOIPXRHGSA-N 1 1 343.427 0.987 20 30 ECEDMO COC1CC(C(=O)N(C)[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001047418999 764287608 /nfs/dbraw/zinc/28/76/08/764287608.db2.gz CUJVXCAWCFMRGO-FOIPXRHGSA-N 1 1 343.427 0.987 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc(OC)nn3)C2)nn1 ZINC001098762882 764293930 /nfs/dbraw/zinc/29/39/30/764293930.db2.gz RDUHZMTVKYTSGF-CYBMUJFWSA-N 1 1 343.391 0.440 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001047427416 764312317 /nfs/dbraw/zinc/31/23/17/764312317.db2.gz QKTSRPNNMOCNAZ-KBMXLJTQSA-N 1 1 348.447 0.538 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3CC(=O)NC(=O)C3)C2)s1 ZINC001032051368 764318531 /nfs/dbraw/zinc/31/85/31/764318531.db2.gz KXFRUMZSOOWLLZ-UHFFFAOYSA-N 1 1 346.412 0.221 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001047432579 764328265 /nfs/dbraw/zinc/32/82/65/764328265.db2.gz ATNKCLIFDXJCHL-GJZGRUSLSA-N 1 1 331.420 0.380 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001047432579 764328271 /nfs/dbraw/zinc/32/82/71/764328271.db2.gz ATNKCLIFDXJCHL-GJZGRUSLSA-N 1 1 331.420 0.380 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001047435955 764339338 /nfs/dbraw/zinc/33/93/38/764339338.db2.gz PKXVNQSEBFGSEQ-COXVUDFISA-N 1 1 330.432 0.350 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001047435955 764339343 /nfs/dbraw/zinc/33/93/43/764339343.db2.gz PKXVNQSEBFGSEQ-COXVUDFISA-N 1 1 330.432 0.350 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001047435955 764339347 /nfs/dbraw/zinc/33/93/47/764339347.db2.gz PKXVNQSEBFGSEQ-COXVUDFISA-N 1 1 330.432 0.350 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2N2CCCC2)C1 ZINC001047445698 764368503 /nfs/dbraw/zinc/36/85/03/764368503.db2.gz KOMJXKHWMOFHGM-HOTGVXAUSA-N 1 1 330.432 0.985 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2N2CCCC2)C1 ZINC001047445698 764368511 /nfs/dbraw/zinc/36/85/11/764368511.db2.gz KOMJXKHWMOFHGM-HOTGVXAUSA-N 1 1 330.432 0.985 20 30 ECEDMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)ncc1=O ZINC001015327237 764379633 /nfs/dbraw/zinc/37/96/33/764379633.db2.gz DORGZXFMDBGNQV-INIZCTEOSA-N 1 1 336.395 0.636 20 30 ECEDMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)ncc1=O ZINC001015327237 764379638 /nfs/dbraw/zinc/37/96/38/764379638.db2.gz DORGZXFMDBGNQV-INIZCTEOSA-N 1 1 336.395 0.636 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3nccc3C)[C@H]2C)C1=O ZINC001088891370 764382795 /nfs/dbraw/zinc/38/27/95/764382795.db2.gz QVTHQQNIYHNDPN-OWCLPIDISA-N 1 1 345.447 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3nccc3C)[C@H]2C)C1=O ZINC001088891370 764382801 /nfs/dbraw/zinc/38/28/01/764382801.db2.gz QVTHQQNIYHNDPN-OWCLPIDISA-N 1 1 345.447 0.557 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC001088912527 764431302 /nfs/dbraw/zinc/43/13/02/764431302.db2.gz CSAPCKFUJDJQJV-KGLIPLIRSA-N 1 1 334.424 0.334 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)cn3ccnc23)C1 ZINC001047470517 764435342 /nfs/dbraw/zinc/43/53/42/764435342.db2.gz SGLQTHSNSQEIIM-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001047470807 764436854 /nfs/dbraw/zinc/43/68/54/764436854.db2.gz BAUJJRCUWFOWOR-MJBXVCDLSA-N 1 1 347.406 0.032 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001047473766 764445856 /nfs/dbraw/zinc/44/58/56/764445856.db2.gz XYGUHXHEGDHFEP-RDBSUJKOSA-N 1 1 330.450 0.033 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001047473766 764445860 /nfs/dbraw/zinc/44/58/60/764445860.db2.gz XYGUHXHEGDHFEP-RDBSUJKOSA-N 1 1 330.450 0.033 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](O)CN(C)C(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001124866174 764460310 /nfs/dbraw/zinc/46/03/10/764460310.db2.gz WANTWUNKKHWREW-JKSUJKDBSA-N 1 1 345.447 0.977 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC001052426729 764468429 /nfs/dbraw/zinc/46/84/29/764468429.db2.gz RZJNNVQIXGEZJE-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)CNC(=O)C1 ZINC001015374488 764470746 /nfs/dbraw/zinc/47/07/46/764470746.db2.gz DBVYPKCOGVZOFE-APWZRJJASA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CNC(=O)C1 ZINC001015374488 764470752 /nfs/dbraw/zinc/47/07/52/764470752.db2.gz DBVYPKCOGVZOFE-APWZRJJASA-N 1 1 325.412 0.755 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CN(CC)CCO3)C2)nn1 ZINC001098784945 768211758 /nfs/dbraw/zinc/21/17/58/768211758.db2.gz NSTMNFRUJSXZKX-JKSUJKDBSA-N 1 1 348.451 0.048 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001047483954 764481941 /nfs/dbraw/zinc/48/19/41/764481941.db2.gz XALKBGJKNOFFSJ-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001047483954 764481952 /nfs/dbraw/zinc/48/19/52/764481952.db2.gz XALKBGJKNOFFSJ-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001052455031 764533024 /nfs/dbraw/zinc/53/30/24/764533024.db2.gz MRXDFMLUNMEHLE-MNOVXSKESA-N 1 1 328.800 0.308 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-c3ncon3)c2)C1 ZINC001047524874 764588853 /nfs/dbraw/zinc/58/88/53/764588853.db2.gz TXJOVBNENXYUKM-HOTGVXAUSA-N 1 1 340.383 0.877 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001047528968 764605897 /nfs/dbraw/zinc/60/58/97/764605897.db2.gz LKFKIWIWJZSXAQ-HOTGVXAUSA-N 1 1 345.447 0.770 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001052491268 764609788 /nfs/dbraw/zinc/60/97/88/764609788.db2.gz ANHOQGKDDIOTTI-OAHLLOKOSA-N 1 1 338.473 0.805 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001047539421 764631727 /nfs/dbraw/zinc/63/17/27/764631727.db2.gz KTQXKTBWVKDASN-YVSFHVDLSA-N 1 1 332.448 0.993 20 30 ECEDMO Cc1cc(NCC[C@H](C)NC(=O)CC[NH+]2CCOCC2)c(C#N)cn1 ZINC001106383366 768229371 /nfs/dbraw/zinc/22/93/71/768229371.db2.gz RZOAIQWPGHRESW-AWEZNQCLSA-N 1 1 345.447 0.713 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cnc(OC)nc2)C1 ZINC001089884509 764682324 /nfs/dbraw/zinc/68/23/24/764682324.db2.gz UUSXZRJSTCZSBT-TUUVXOQKSA-N 1 1 326.400 0.901 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001047554574 764683064 /nfs/dbraw/zinc/68/30/64/764683064.db2.gz CCEVOYLUYTVCMW-ULQDDVLXSA-N 1 1 349.475 0.857 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001047557458 764687885 /nfs/dbraw/zinc/68/78/85/764687885.db2.gz XLBUXHRWUBLCQB-VGWMRTNUSA-N 1 1 326.437 0.508 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(C(C)(C)C)c2=O)C1 ZINC001047557325 764688192 /nfs/dbraw/zinc/68/81/92/764688192.db2.gz PGCMLASHCGCFDY-HOTGVXAUSA-N 1 1 345.443 0.744 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(C(C)(C)C)c2=O)C1 ZINC001047557325 764688196 /nfs/dbraw/zinc/68/81/96/764688196.db2.gz PGCMLASHCGCFDY-HOTGVXAUSA-N 1 1 345.443 0.744 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cccc(OC)c23)C1 ZINC001047567313 764711808 /nfs/dbraw/zinc/71/18/08/764711808.db2.gz CKXFYBWXKQBSSJ-KBPBESRZSA-N 1 1 328.372 0.093 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cccc(OC)c23)C1 ZINC001047567313 764711815 /nfs/dbraw/zinc/71/18/15/764711815.db2.gz CKXFYBWXKQBSSJ-KBPBESRZSA-N 1 1 328.372 0.093 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1OC ZINC001212194144 764761078 /nfs/dbraw/zinc/76/10/78/764761078.db2.gz PBCYGUSAMJYRHU-INMHGKMJSA-N 1 1 328.453 0.946 20 30 ECEDMO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001060409297 764762537 /nfs/dbraw/zinc/76/25/37/764762537.db2.gz YVQFQSLIBSTYCJ-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3nccc3nc2C)C1 ZINC001047581646 764768139 /nfs/dbraw/zinc/76/81/39/764768139.db2.gz IRSDYELLEAOBEV-GJZGRUSLSA-N 1 1 329.404 0.731 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCN3C)C1 ZINC001047586815 764787114 /nfs/dbraw/zinc/78/71/14/764787114.db2.gz LFEQGYNNINPZTH-ROUUACIJSA-N 1 1 327.428 0.819 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCN(C(C)C)C3=O)C2)nc1 ZINC001032136875 764788522 /nfs/dbraw/zinc/78/85/22/764788522.db2.gz KGIIOIRYMKGLBY-QGZVFWFLSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001032136859 764788732 /nfs/dbraw/zinc/78/87/32/764788732.db2.gz JLSLWEQIXWNCRN-GFCCVEGCSA-N 1 1 326.400 0.392 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)nc3OC)C2)C1=O ZINC001015495248 764795551 /nfs/dbraw/zinc/79/55/51/764795551.db2.gz KICFKAIEMOLHKT-JSGCOSHPSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)nc3OC)C2)C1=O ZINC001015495248 764795556 /nfs/dbraw/zinc/79/55/56/764795556.db2.gz KICFKAIEMOLHKT-JSGCOSHPSA-N 1 1 347.419 0.020 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001047592350 764808629 /nfs/dbraw/zinc/80/86/29/764808629.db2.gz LACRERHQCWKKPY-ROUUACIJSA-N 1 1 333.476 0.635 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001052589902 764810473 /nfs/dbraw/zinc/81/04/73/764810473.db2.gz QYCOTTUMANEIAT-AWEZNQCLSA-N 1 1 339.403 0.665 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC001052590776 764812655 /nfs/dbraw/zinc/81/26/55/764812655.db2.gz GMAYKVSEYURDQD-YESZJQIVSA-N 1 1 335.448 0.616 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc3onc(C)c32)[C@@H](O)C1 ZINC001083678877 764813760 /nfs/dbraw/zinc/81/37/60/764813760.db2.gz KQYQKMILKSSFPW-KGLIPLIRSA-N 1 1 328.372 0.638 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc3onc(C)c32)[C@@H](O)C1 ZINC001083678877 764813767 /nfs/dbraw/zinc/81/37/67/764813767.db2.gz KQYQKMILKSSFPW-KGLIPLIRSA-N 1 1 328.372 0.638 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001047597394 764825985 /nfs/dbraw/zinc/82/59/85/764825985.db2.gz NHLLFOVRWPRDOM-GJZGRUSLSA-N 1 1 330.388 0.188 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001047597394 764825994 /nfs/dbraw/zinc/82/59/94/764825994.db2.gz NHLLFOVRWPRDOM-GJZGRUSLSA-N 1 1 330.388 0.188 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)cn1 ZINC001047599117 764836811 /nfs/dbraw/zinc/83/68/11/764836811.db2.gz ILVJMNXSDQDHQE-JLSDUUJJSA-N 1 1 343.427 0.607 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)cn1 ZINC001047599235 764837296 /nfs/dbraw/zinc/83/72/96/764837296.db2.gz MYZDTRKPAMFFKR-BZSNNMDCSA-N 1 1 343.427 0.749 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn(C)c3ccccc32)C1 ZINC001047602519 764849674 /nfs/dbraw/zinc/84/96/74/764849674.db2.gz PTRTWOFXLVZVMC-HOTGVXAUSA-N 1 1 326.400 0.714 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001015515491 764854768 /nfs/dbraw/zinc/85/47/68/764854768.db2.gz WQPQCNGGWHUVQC-CABCVRRESA-N 1 1 327.388 0.272 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)cc2OC)C1 ZINC001047609939 764871461 /nfs/dbraw/zinc/87/14/61/764871461.db2.gz RHVFLLZRHQCUNY-HOTGVXAUSA-N 1 1 332.400 0.844 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)cc2OC)C1 ZINC001047609939 764871469 /nfs/dbraw/zinc/87/14/69/764871469.db2.gz RHVFLLZRHQCUNY-HOTGVXAUSA-N 1 1 332.400 0.844 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001047624007 764912561 /nfs/dbraw/zinc/91/25/61/764912561.db2.gz BMDUCFKBHXJVPV-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001047624731 764915234 /nfs/dbraw/zinc/91/52/34/764915234.db2.gz XPJNPLRUEASTGB-HOTGVXAUSA-N 1 1 348.447 0.737 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H](CNC(=O)C#CC2CC2)C1 ZINC001052642911 764922787 /nfs/dbraw/zinc/92/27/87/764922787.db2.gz VXOMSCHRPRSDTJ-XJKSGUPXSA-N 1 1 328.416 0.816 20 30 ECEDMO C=C(Br)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047627703 764925525 /nfs/dbraw/zinc/92/55/25/764925525.db2.gz UZUGYIHTZZHFAU-AVGNSLFASA-N 1 1 346.269 0.350 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N(C)CCOCCNc1nccnc1C#N ZINC001127334956 768255587 /nfs/dbraw/zinc/25/55/87/768255587.db2.gz ZZHHEQPBDFLBQC-UHFFFAOYSA-N 1 1 334.424 0.575 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC000991991850 765090183 /nfs/dbraw/zinc/09/01/83/765090183.db2.gz JVUNXLBBRZAHFL-CYBMUJFWSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)nn1 ZINC001052774911 765098026 /nfs/dbraw/zinc/09/80/26/765098026.db2.gz NRBKRCLQOQJPIT-QWHCGFSZSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(N)=O)CC2)nn1 ZINC001052779136 765104706 /nfs/dbraw/zinc/10/47/06/765104706.db2.gz XJJJRMLXJAPUAP-OLZOCXBDSA-N 1 1 334.424 0.312 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)CC1 ZINC001052784460 765116580 /nfs/dbraw/zinc/11/65/80/765116580.db2.gz QWVKPKBYTUUHSH-ZBFHGGJFSA-N 1 1 326.462 0.948 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CCNC1=O ZINC001015696188 765179460 /nfs/dbraw/zinc/17/94/60/765179460.db2.gz WNRNWLKHYVITNB-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CCNC1=O ZINC001015696188 765179464 /nfs/dbraw/zinc/17/94/64/765179464.db2.gz WNRNWLKHYVITNB-KBXCAEBGSA-N 1 1 344.390 0.914 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001052832279 765197308 /nfs/dbraw/zinc/19/73/08/765197308.db2.gz WBIWQAOWNIAQHT-HOTGVXAUSA-N 1 1 345.447 0.922 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC001052849101 765222477 /nfs/dbraw/zinc/22/24/77/765222477.db2.gz MDMFVKMLTUFKBC-OAHLLOKOSA-N 1 1 345.447 0.375 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000992038384 765244993 /nfs/dbraw/zinc/24/49/93/765244993.db2.gz KJMQKEDWXSDMAF-BNQIPGGESA-N 1 1 343.431 0.851 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001052864300 765248720 /nfs/dbraw/zinc/24/87/20/765248720.db2.gz FRMQQHNFLNBNDB-GFCCVEGCSA-N 1 1 330.392 0.578 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000992046743 765275586 /nfs/dbraw/zinc/27/55/86/765275586.db2.gz MALLWLBOGMQWLR-UHFFFAOYSA-N 1 1 340.387 0.716 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001052919268 765346016 /nfs/dbraw/zinc/34/60/16/765346016.db2.gz JMZRFYYLJOIPSJ-NSHDSACASA-N 1 1 328.800 0.261 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCc3cnn(CC)c3)C2)nn1 ZINC001015810143 765367263 /nfs/dbraw/zinc/36/72/63/765367263.db2.gz AZMHWJDGDWGDGD-OAHLLOKOSA-N 1 1 343.435 0.727 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)CN3CCCC3)CC2)C1=O ZINC001052938504 765388112 /nfs/dbraw/zinc/38/81/12/765388112.db2.gz YRANJIWYHAEGBS-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)CN3CCCC3)CC2)C1=O ZINC001052938504 765388119 /nfs/dbraw/zinc/38/81/19/765388119.db2.gz YRANJIWYHAEGBS-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015834889 765405600 /nfs/dbraw/zinc/40/56/00/765405600.db2.gz MPQXICVHRRTLCM-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015834889 765405602 /nfs/dbraw/zinc/40/56/02/765405602.db2.gz MPQXICVHRRTLCM-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C2)s1 ZINC001015836901 765411319 /nfs/dbraw/zinc/41/13/19/765411319.db2.gz KOKANOSJEWJTTK-NSHDSACASA-N 1 1 346.412 0.363 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C2)s1 ZINC001015836901 765411322 /nfs/dbraw/zinc/41/13/22/765411322.db2.gz KOKANOSJEWJTTK-NSHDSACASA-N 1 1 346.412 0.363 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@@H](CNC(=O)CSCC#N)C1 ZINC001052986271 765462296 /nfs/dbraw/zinc/46/22/96/765462296.db2.gz FKLMKZMIYMFQAI-JSGCOSHPSA-N 1 1 349.460 0.659 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[N@H+](CC(N)=O)C3)C2)c[nH]1 ZINC001053013491 765485886 /nfs/dbraw/zinc/48/58/86/765485886.db2.gz QZXIJBYTWLEOEL-KGLIPLIRSA-N 1 1 343.431 0.936 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001053020353 765492344 /nfs/dbraw/zinc/49/23/44/765492344.db2.gz UVHPRZMIWMUDHG-JKSUJKDBSA-N 1 1 345.447 0.958 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001053031922 765505778 /nfs/dbraw/zinc/50/57/78/765505778.db2.gz MAGPSQBJHYZHOT-HZPDHXFCSA-N 1 1 347.463 0.718 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(CC)nn3C)C2)C1=O ZINC001015897307 765511554 /nfs/dbraw/zinc/51/15/54/765511554.db2.gz LFTVHNYIEDUDDG-HUUCEWRRSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(CC)nn3C)C2)C1=O ZINC001015897307 765511558 /nfs/dbraw/zinc/51/15/58/765511558.db2.gz LFTVHNYIEDUDDG-HUUCEWRRSA-N 1 1 345.447 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001053052334 765528786 /nfs/dbraw/zinc/52/87/86/765528786.db2.gz UYSVLCHWNDBQDA-CVEARBPZSA-N 1 1 345.443 0.719 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)c2nnn(C)n2)C1 ZINC001053093015 765568219 /nfs/dbraw/zinc/56/82/19/765568219.db2.gz KAFZFRSZXSTOGI-GJZGRUSLSA-N 1 1 330.436 0.940 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001053100454 765577154 /nfs/dbraw/zinc/57/71/54/765577154.db2.gz HBUKMXDIFMJWCG-ZBFHGGJFSA-N 1 1 345.443 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2C(=O)CCC2=O)C1 ZINC001053105574 765582468 /nfs/dbraw/zinc/58/24/68/765582468.db2.gz PMXPPFJKXVPIBA-HOTGVXAUSA-N 1 1 345.443 0.862 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001053110080 765591568 /nfs/dbraw/zinc/59/15/68/765591568.db2.gz YFAMSGCWIPSLMR-HOTGVXAUSA-N 1 1 337.464 0.579 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(OC)nn3)C2)C1=O ZINC001015945807 765592926 /nfs/dbraw/zinc/59/29/26/765592926.db2.gz MSVGCKGPCDSLFY-JSGCOSHPSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(OC)nn3)C2)C1=O ZINC001015945807 765592932 /nfs/dbraw/zinc/59/29/32/765592932.db2.gz MSVGCKGPCDSLFY-JSGCOSHPSA-N 1 1 345.403 0.076 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CSCC#N)C1 ZINC001053115660 765602009 /nfs/dbraw/zinc/60/20/09/765602009.db2.gz QWLJJSJMFYAPRI-UONOGXRCSA-N 1 1 340.493 0.796 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001015968693 765638611 /nfs/dbraw/zinc/63/86/11/765638611.db2.gz GASMCOBEZCIXAM-ZIAGYGMSSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001015968693 765638616 /nfs/dbraw/zinc/63/86/16/765638616.db2.gz GASMCOBEZCIXAM-ZIAGYGMSSA-N 1 1 346.431 0.927 20 30 ECEDMO C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)c1cc(C#N)c[nH]1 ZINC001077495603 765641034 /nfs/dbraw/zinc/64/10/34/765641034.db2.gz LVPDREANXHGRRF-STQMWFEESA-N 1 1 331.420 0.853 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]c(C)n2)c1 ZINC001106096841 765641726 /nfs/dbraw/zinc/64/17/26/765641726.db2.gz RBXCJGXGFAZTMH-HNNXBMFYSA-N 1 1 325.372 0.673 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)cc1C#N ZINC000992162272 765720720 /nfs/dbraw/zinc/72/07/20/765720720.db2.gz RQJMMWHQICPRRC-MAUKXSAKSA-N 1 1 342.399 0.665 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC001016021682 765726212 /nfs/dbraw/zinc/72/62/12/765726212.db2.gz YZQZXSQIRQIYIT-OCCSQVGLSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001016021682 765726218 /nfs/dbraw/zinc/72/62/18/765726218.db2.gz YZQZXSQIRQIYIT-OCCSQVGLSA-N 1 1 330.388 0.162 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001016025835 765730274 /nfs/dbraw/zinc/73/02/74/765730274.db2.gz BPOPJDLBRHDGJB-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001016025835 765730276 /nfs/dbraw/zinc/73/02/76/765730276.db2.gz BPOPJDLBRHDGJB-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)cn1 ZINC001016033244 765735186 /nfs/dbraw/zinc/73/51/86/765735186.db2.gz HMVRXILDKPEDHI-HOTGVXAUSA-N 1 1 336.399 0.646 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNc2cccc(F)c2C#N)C1 ZINC001106103959 765746439 /nfs/dbraw/zinc/74/64/39/765746439.db2.gz FFJIHEZZEGGOKQ-STQMWFEESA-N 1 1 334.395 0.928 20 30 ECEDMO Cc1nsc(NC[C@@H](O)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1C#N ZINC001106105829 765765844 /nfs/dbraw/zinc/76/58/44/765765844.db2.gz YIVBMHGGIYUXGZ-PWSUYJOCSA-N 1 1 337.449 0.554 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCOC3(C[NH+](CC[C@H]4CCCO4)C3)C2)c1 ZINC001053210003 765767683 /nfs/dbraw/zinc/76/76/83/765767683.db2.gz SEYUZQCTJDCUHZ-OAHLLOKOSA-N 1 1 344.415 0.982 20 30 ECEDMO Cc1cc(NC[C@@H](O)CNC(=O)C[N@H+]2CCC(C)(C)C2)c(C#N)cn1 ZINC001106108658 765854863 /nfs/dbraw/zinc/85/48/63/765854863.db2.gz MOLJQDVVLYBZBG-OAHLLOKOSA-N 1 1 345.447 0.305 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)c1cc([C@H]3CCC[N@H+]3C)[nH]n1)CCO2 ZINC001053263233 765863644 /nfs/dbraw/zinc/86/36/44/765863644.db2.gz JFOILRBVHYNROS-MRXNPFEDSA-N 1 1 343.431 0.336 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)c1cc([C@H]3CCC[N@@H+]3C)[nH]n1)CCO2 ZINC001053263233 765863651 /nfs/dbraw/zinc/86/36/51/765863651.db2.gz JFOILRBVHYNROS-MRXNPFEDSA-N 1 1 343.431 0.336 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2cc[nH]n2)C1 ZINC000992208429 765901550 /nfs/dbraw/zinc/90/15/50/765901550.db2.gz PJBPFQNRCHFNAE-BCLQGDPASA-N 1 1 343.431 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2cc[nH]n2)C1 ZINC000992208429 765901556 /nfs/dbraw/zinc/90/15/56/765901556.db2.gz PJBPFQNRCHFNAE-BCLQGDPASA-N 1 1 343.431 0.061 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cccn2C)C1 ZINC000992209405 765911455 /nfs/dbraw/zinc/91/14/55/765911455.db2.gz WWHXCFZVCLRGSH-DQPZFDDXSA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cccn2C)C1 ZINC000992209405 765911460 /nfs/dbraw/zinc/91/14/60/765911460.db2.gz WWHXCFZVCLRGSH-DQPZFDDXSA-N 1 1 342.443 0.747 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CCNc1ccnc(C#N)n1 ZINC001053319936 765965674 /nfs/dbraw/zinc/96/56/74/765965674.db2.gz CBKZWUMRTYNCCY-KFWWJZLASA-N 1 1 342.447 0.761 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCNC(=O)CC1)CCO2 ZINC001053358165 766028327 /nfs/dbraw/zinc/02/83/27/766028327.db2.gz IVDHIRFUZFBPPU-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CSCC#N)C1 ZINC001053436293 766129190 /nfs/dbraw/zinc/12/91/90/766129190.db2.gz HETNYDFKFLFLQI-KGLIPLIRSA-N 1 1 340.493 0.796 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001016358169 766182559 /nfs/dbraw/zinc/18/25/59/766182559.db2.gz YNSVKXWDXPIFQL-ZFWWWQNUSA-N 1 1 331.416 0.858 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001016358169 766182562 /nfs/dbraw/zinc/18/25/62/766182562.db2.gz YNSVKXWDXPIFQL-ZFWWWQNUSA-N 1 1 331.416 0.858 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)[nH+]c(C)c1C ZINC001106123272 766192442 /nfs/dbraw/zinc/19/24/42/766192442.db2.gz LPBOJNUZVCDLNB-ZNMIVQPWSA-N 1 1 334.420 0.882 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001017772131 768358743 /nfs/dbraw/zinc/35/87/43/768358743.db2.gz KFTYXMIFPWANKW-VVLHAWIVSA-N 1 1 335.448 0.874 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 ZINC000992320246 766257283 /nfs/dbraw/zinc/25/72/83/766257283.db2.gz CTTXYFVLGIPZNO-MLGOLLRUSA-N 1 1 339.823 0.905 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 ZINC000992320246 766257287 /nfs/dbraw/zinc/25/72/87/766257287.db2.gz CTTXYFVLGIPZNO-MLGOLLRUSA-N 1 1 339.823 0.905 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 ZINC001053529384 766285367 /nfs/dbraw/zinc/28/53/67/766285367.db2.gz XYHTWKJFHVYERB-UHFFFAOYSA-N 1 1 331.416 0.728 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992347830 766341027 /nfs/dbraw/zinc/34/10/27/766341027.db2.gz WVYMBKYYIGJFKE-MIGQKNRLSA-N 1 1 335.448 0.635 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC(=O)N(CC)C1)O2 ZINC001053606085 766420060 /nfs/dbraw/zinc/42/00/60/766420060.db2.gz HFZIFNFPBCBFCM-GJZGRUSLSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(C)nc1COC)O2 ZINC001053619230 766448456 /nfs/dbraw/zinc/44/84/56/766448456.db2.gz NRZVHMJEKIMCCN-AWEZNQCLSA-N 1 1 346.431 0.553 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(=O)c(OC)c[nH]1)O2 ZINC001053628684 766475159 /nfs/dbraw/zinc/47/51/59/766475159.db2.gz VIMGLNNSORBHAL-CYBMUJFWSA-N 1 1 345.399 0.370 20 30 ECEDMO CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253838 766507163 /nfs/dbraw/zinc/50/71/63/766507163.db2.gz JSYSYTITKLXTIP-QLFBSQMISA-N 1 1 335.448 0.472 20 30 ECEDMO CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253838 766507168 /nfs/dbraw/zinc/50/71/68/766507168.db2.gz JSYSYTITKLXTIP-QLFBSQMISA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCN1C(=O)CCC1=O)C2 ZINC001045950823 766523270 /nfs/dbraw/zinc/52/32/70/766523270.db2.gz MPZPZRIQYGPDND-IBGZPJMESA-N 1 1 345.443 0.863 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001045953560 766524361 /nfs/dbraw/zinc/52/43/61/766524361.db2.gz DUBBHBBZGZRCSW-SFHVURJKSA-N 1 1 345.447 0.310 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c(c3)C(=O)NC4=O)CCC[C@H]12 ZINC000992417327 766527163 /nfs/dbraw/zinc/52/71/63/766527163.db2.gz CMDWPKRZGVSSMS-KXBFYZLASA-N 1 1 337.379 0.930 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)c1 ZINC001045965458 766537331 /nfs/dbraw/zinc/53/73/31/766537331.db2.gz HRBYLUHCHPZJIX-LJQANCHMSA-N 1 1 340.427 0.866 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001045967368 766538682 /nfs/dbraw/zinc/53/86/82/766538682.db2.gz SQIQWRWYHLNQIF-DAYGRLMNSA-N 1 1 335.448 0.910 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@@H]12 ZINC000992432250 766555706 /nfs/dbraw/zinc/55/57/06/766555706.db2.gz PZBQYEZIMOBLOR-MLGOLLRUSA-N 1 1 328.376 0.330 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC3(C[NH+](C[C@H](C)OC)C3)O2)nn1 ZINC001053676805 766560548 /nfs/dbraw/zinc/56/05/48/766560548.db2.gz KBIJZAGFJOCJNA-KBPBESRZSA-N 1 1 349.435 0.462 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001045988287 766561442 /nfs/dbraw/zinc/56/14/42/766561442.db2.gz MHUUEFJQUDSPKS-KSSFIOAISA-N 1 1 331.416 0.377 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cn([C@H]4CCOC4)nn3)CCC[C@@H]12 ZINC000992437938 766571488 /nfs/dbraw/zinc/57/14/88/766571488.db2.gz YGWGGNWPISTDPA-YXJHDRRASA-N 1 1 343.431 0.990 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1coc(COC)n1)O2 ZINC001053685536 766584040 /nfs/dbraw/zinc/58/40/40/766584040.db2.gz SGTZRGHIACSUNO-CYBMUJFWSA-N 1 1 333.388 0.808 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 ZINC001045999920 766598709 /nfs/dbraw/zinc/59/87/09/766598709.db2.gz LUGJSOPPBDKDNB-QGZVFWFLSA-N 1 1 330.432 0.728 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC001046000385 766599449 /nfs/dbraw/zinc/59/94/49/766599449.db2.gz QTGFUXXKCJAEHZ-CQSZACIVSA-N 1 1 329.404 0.038 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)CS(C)(=O)=O)CC2)C1 ZINC001046009763 766631307 /nfs/dbraw/zinc/63/13/07/766631307.db2.gz ZPHJVABRRQGFHA-OAHLLOKOSA-N 1 1 343.493 0.216 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12 ZINC000992463379 766633965 /nfs/dbraw/zinc/63/39/65/766633965.db2.gz JMQJEFZTEDOVAW-DYVFJYSZSA-N 1 1 334.420 0.570 20 30 ECEDMO CCn1nncc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011577 766636693 /nfs/dbraw/zinc/63/66/93/766636693.db2.gz FCHYRJQVWURLBY-LSDHHAIUSA-N 1 1 345.451 0.176 20 30 ECEDMO CCn1nncc1C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011577 766636699 /nfs/dbraw/zinc/63/66/99/766636699.db2.gz FCHYRJQVWURLBY-LSDHHAIUSA-N 1 1 345.451 0.176 20 30 ECEDMO COc1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)on1 ZINC001046012067 766638300 /nfs/dbraw/zinc/63/83/00/766638300.db2.gz KKPYTMGNWFDNMO-UONOGXRCSA-N 1 1 347.419 0.561 20 30 ECEDMO COc1cc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)on1 ZINC001046012067 766638305 /nfs/dbraw/zinc/63/83/05/766638305.db2.gz KKPYTMGNWFDNMO-UONOGXRCSA-N 1 1 347.419 0.561 20 30 ECEDMO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046013157 766641163 /nfs/dbraw/zinc/64/11/63/766641163.db2.gz TZKZBCDANFFKQW-WMLDXEAASA-N 1 1 344.463 0.607 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3C)CC2)C1 ZINC001046013632 766644052 /nfs/dbraw/zinc/64/40/52/766644052.db2.gz FVWQTGSBWRBZPI-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC001046020672 766663287 /nfs/dbraw/zinc/66/32/87/766663287.db2.gz WIKILERNWUBNCZ-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@](C)(O)C3CC3)CC2)C1 ZINC001046021135 766664918 /nfs/dbraw/zinc/66/49/18/766664918.db2.gz BCNRDEPBGHDNLZ-IEBWSBKVSA-N 1 1 333.476 0.779 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@](C)(O)C3CC3)CC2)C1 ZINC001046021229 766665979 /nfs/dbraw/zinc/66/59/79/766665979.db2.gz DEGXWYLGAHDSSW-PKOBYXMFSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)ncn3)CC2)C1 ZINC001046023451 766672667 /nfs/dbraw/zinc/67/26/67/766672667.db2.gz NNMBVOFHHUNDSX-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC001046027748 766687630 /nfs/dbraw/zinc/68/76/30/766687630.db2.gz RCEJVPIDYXQYGX-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1OC ZINC001212262458 766688867 /nfs/dbraw/zinc/68/88/67/766688867.db2.gz OPEAZYHGVPGJRZ-IAGOWNOFSA-N 1 1 348.447 0.355 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046028782 766693121 /nfs/dbraw/zinc/69/31/21/766693121.db2.gz VNNAHVUXSPPCFJ-QGZVFWFLSA-N 1 1 327.432 0.261 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccc(OC)n2)C1 ZINC000994750080 766693491 /nfs/dbraw/zinc/69/34/91/766693491.db2.gz GBXXPSDLMGUPSD-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccc(OC)n2)C1 ZINC000994750080 766693497 /nfs/dbraw/zinc/69/34/97/766693497.db2.gz GBXXPSDLMGUPSD-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cn(C)cn2)C1 ZINC001016670363 766698691 /nfs/dbraw/zinc/69/86/91/766698691.db2.gz LWICBWPTZFTQPX-XUJLQICISA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cn(C)cn2)C1 ZINC001016670363 766698693 /nfs/dbraw/zinc/69/86/93/766698693.db2.gz LWICBWPTZFTQPX-XUJLQICISA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2nonc2C)C1 ZINC001016670664 766700519 /nfs/dbraw/zinc/70/05/19/766700519.db2.gz SOBVRGMYEZBQRJ-RUXDESIVSA-N 1 1 345.403 0.195 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2nonc2C)C1 ZINC001016670664 766700528 /nfs/dbraw/zinc/70/05/28/766700528.db2.gz SOBVRGMYEZBQRJ-RUXDESIVSA-N 1 1 345.403 0.195 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000994751859 766700615 /nfs/dbraw/zinc/70/06/15/766700615.db2.gz NRRFONBYHACTAG-AWEZNQCLSA-N 1 1 329.404 0.065 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000994751859 766700622 /nfs/dbraw/zinc/70/06/22/766700622.db2.gz NRRFONBYHACTAG-AWEZNQCLSA-N 1 1 329.404 0.065 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccnn2CCC)C1 ZINC000994752399 766702561 /nfs/dbraw/zinc/70/25/61/766702561.db2.gz SFAWJLGCZMZZPY-HNNXBMFYSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccnn2CCC)C1 ZINC000994752399 766702570 /nfs/dbraw/zinc/70/25/70/766702570.db2.gz SFAWJLGCZMZZPY-HNNXBMFYSA-N 1 1 343.431 0.331 20 30 ECEDMO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089626735 766708248 /nfs/dbraw/zinc/70/82/48/766708248.db2.gz DNCLDBRYYIECSF-TZMCWYRMSA-N 1 1 332.408 0.010 20 30 ECEDMO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089626735 766708259 /nfs/dbraw/zinc/70/82/59/766708259.db2.gz DNCLDBRYYIECSF-TZMCWYRMSA-N 1 1 332.408 0.010 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(OCC)nc3)CC2)C1 ZINC001046033945 766711381 /nfs/dbraw/zinc/71/13/81/766711381.db2.gz MJHABJBFURYVHS-KRWDZBQOSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccc(C)nc2)C1 ZINC000994753616 766712310 /nfs/dbraw/zinc/71/23/10/766712310.db2.gz JEKOTOVQAXZPRC-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccc(C)nc2)C1 ZINC000994753616 766712313 /nfs/dbraw/zinc/71/23/13/766712313.db2.gz JEKOTOVQAXZPRC-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046034428 766714039 /nfs/dbraw/zinc/71/40/39/766714039.db2.gz VNXSMALEQBYVTF-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccnc4[nH]cnc43)CC2)C1 ZINC001046034931 766715582 /nfs/dbraw/zinc/71/55/82/766715582.db2.gz ZFCPMDLGIXVEKE-AWEZNQCLSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046035524 766720637 /nfs/dbraw/zinc/72/06/37/766720637.db2.gz OGEYQFIVCJKLLE-DLBZAZTESA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN([C@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001046035967 766723947 /nfs/dbraw/zinc/72/39/47/766723947.db2.gz XOZYQGLYJFMPNF-IRXDYDNUSA-N 1 1 346.475 0.887 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C3CC3)on2)C1 ZINC000994756627 766728944 /nfs/dbraw/zinc/72/89/44/766728944.db2.gz YDFQDFOGHKLCQJ-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C3CC3)on2)C1 ZINC000994756627 766728950 /nfs/dbraw/zinc/72/89/50/766728950.db2.gz YDFQDFOGHKLCQJ-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc4n(n3)CCC4)C2)C1=O ZINC001031716747 766731795 /nfs/dbraw/zinc/73/17/95/766731795.db2.gz PCEKEGMOSANWAM-MRXNPFEDSA-N 1 1 343.431 0.278 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncc(COC)c3)CC2)C1 ZINC001046037393 766733838 /nfs/dbraw/zinc/73/38/38/766733838.db2.gz YRVNTIZGFPQTNF-SFHVURJKSA-N 1 1 342.443 0.693 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncs3)CC2)C1 ZINC001046037537 766734275 /nfs/dbraw/zinc/73/42/75/766734275.db2.gz RRBAPYDAUWEPBE-OAHLLOKOSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046037824 766736911 /nfs/dbraw/zinc/73/69/11/766736911.db2.gz ZXFWHMXBHLHFMC-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC001046038666 766738825 /nfs/dbraw/zinc/73/88/25/766738825.db2.gz HOMOWPLQQHYNKP-AWEZNQCLSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)C1 ZINC001046039288 766742703 /nfs/dbraw/zinc/74/27/03/766742703.db2.gz OYQVUEIRQXRYBP-DLBZAZTESA-N 1 1 341.459 0.297 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC001046041040 766750778 /nfs/dbraw/zinc/75/07/78/766750778.db2.gz NKCMBFUUQWUIOU-MRXNPFEDSA-N 1 1 335.427 0.871 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC001046043110 766758845 /nfs/dbraw/zinc/75/88/45/766758845.db2.gz VZMHUOJYPSPIAH-OAHLLOKOSA-N 1 1 341.459 0.754 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC3(C[C@@H]3NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001016704650 766760331 /nfs/dbraw/zinc/76/03/31/766760331.db2.gz NMTVGGDDQCZRSS-KBPBESRZSA-N 1 1 344.419 0.176 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046044222 766766367 /nfs/dbraw/zinc/76/63/67/766766367.db2.gz KTMNMBWXOFFSHG-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OCC)no3)CC2)C1 ZINC001046044886 766769266 /nfs/dbraw/zinc/76/92/66/766769266.db2.gz SQVMSJNJZGFRJZ-OAHLLOKOSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(Cl)n(C)n3)CC2)C1 ZINC001046045316 766769973 /nfs/dbraw/zinc/76/99/73/766769973.db2.gz WAUGQLNPVAUTAG-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OCC)no3)CC2)C1 ZINC001046045041 766770167 /nfs/dbraw/zinc/77/01/67/766770167.db2.gz VFGIRTUAHHMYES-HNNXBMFYSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nc(C)c(C)nc3C)CC2)C1 ZINC001046045478 766772156 /nfs/dbraw/zinc/77/21/56/766772156.db2.gz YBQACOYVWIPAEM-KRWDZBQOSA-N 1 1 341.459 0.867 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106132836 766776121 /nfs/dbraw/zinc/77/61/21/766776121.db2.gz ASTSJISMJWAZSN-IAQYHMDHSA-N 1 1 328.376 0.444 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001046047417 766777814 /nfs/dbraw/zinc/77/78/14/766777814.db2.gz OWFSMPGOCHEISX-SJORKVTESA-N 1 1 348.491 0.697 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001046047549 766779485 /nfs/dbraw/zinc/77/94/85/766779485.db2.gz SYTREVSNBCUSIH-IAGOWNOFSA-N 1 1 346.475 0.145 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)cc1 ZINC001046050792 766789003 /nfs/dbraw/zinc/78/90/03/766789003.db2.gz PWOSLKDHIRRGBE-GOSISDBHSA-N 1 1 327.428 0.492 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001046051946 766793313 /nfs/dbraw/zinc/79/33/13/766793313.db2.gz RYSJNKUJFCSGNG-OAHLLOKOSA-N 1 1 336.480 0.505 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)CC2)C1 ZINC001046054772 766803201 /nfs/dbraw/zinc/80/32/01/766803201.db2.gz PSEJXKLKWCMAQV-GJZGRUSLSA-N 1 1 342.447 0.076 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](CC[C@H]4CCOC4)C3)C2)[nH]1 ZINC001053772957 766804611 /nfs/dbraw/zinc/80/46/11/766804611.db2.gz ACWJTIZIBUADCZ-ZFWWWQNUSA-N 1 1 344.415 0.886 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046055973 766807210 /nfs/dbraw/zinc/80/72/10/766807210.db2.gz LXBGURWWTHNLBK-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC001046056817 766810913 /nfs/dbraw/zinc/81/09/13/766810913.db2.gz UJFHVXLBQJYNJG-HNNXBMFYSA-N 1 1 343.431 0.346 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)CC2)C1 ZINC001046057228 766812544 /nfs/dbraw/zinc/81/25/44/766812544.db2.gz XKKOACBDGWBINN-IRXDYDNUSA-N 1 1 348.491 0.790 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)CC2)C1 ZINC001046062537 766835514 /nfs/dbraw/zinc/83/55/14/766835514.db2.gz WBXHNJCOURLATP-HOTGVXAUSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccnc3C(C)C)CC2)C1 ZINC001046066737 766854807 /nfs/dbraw/zinc/85/48/07/766854807.db2.gz PXWSSVLQXXWHJN-QGZVFWFLSA-N 1 1 343.475 0.858 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@H]3CC[N@H+](C(C)C)C3)CC2)nn1 ZINC001046068607 766862551 /nfs/dbraw/zinc/86/25/51/766862551.db2.gz OZZTURSLDCKORX-HNNXBMFYSA-N 1 1 332.452 0.705 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@H]3CC[N@H+](CCF)C3)CC2)nn1 ZINC001046068695 766865244 /nfs/dbraw/zinc/86/52/44/766865244.db2.gz RBZWABYBUZKOQX-AWEZNQCLSA-N 1 1 336.415 0.266 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)COC3CCOCC3)CC2)C1 ZINC001046069676 766868748 /nfs/dbraw/zinc/86/87/48/766868748.db2.gz HXXBFNZRNYIMRC-QGZVFWFLSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)CC2)C1 ZINC001046069596 766870543 /nfs/dbraw/zinc/87/05/43/766870543.db2.gz IKXHDTOLGXXVIC-BZSNNMDCSA-N 1 1 331.460 0.819 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046070503 766874191 /nfs/dbraw/zinc/87/41/91/766874191.db2.gz OOMLIEOQEGDWIS-QZTJIDSGSA-N 1 1 347.507 0.991 20 30 ECEDMO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001089654293 766899203 /nfs/dbraw/zinc/89/92/03/766899203.db2.gz MYYUVLMQMYLDPP-UKRRQHHQSA-N 1 1 346.435 0.400 20 30 ECEDMO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001089654293 766899217 /nfs/dbraw/zinc/89/92/17/766899217.db2.gz MYYUVLMQMYLDPP-UKRRQHHQSA-N 1 1 346.435 0.400 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC001046076173 766901728 /nfs/dbraw/zinc/90/17/28/766901728.db2.gz JXKUQPKFCXMVEA-SJORKVTESA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC001046077286 766906939 /nfs/dbraw/zinc/90/69/39/766906939.db2.gz VCLMIBVQYGRQQH-NVXWUHKLSA-N 1 1 341.459 0.366 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC001046080684 766917433 /nfs/dbraw/zinc/91/74/33/766917433.db2.gz JNEGNMULYQUNMY-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4nncn4C3)CC2)C1 ZINC001046084769 766925953 /nfs/dbraw/zinc/92/59/53/766925953.db2.gz BUUMDJMNEBNEGK-HZPDHXFCSA-N 1 1 344.463 0.245 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC001046085058 766926041 /nfs/dbraw/zinc/92/60/41/766926041.db2.gz DLXARPZWAZNLPQ-NVXWUHKLSA-N 1 1 343.475 0.919 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)c(=O)n3C)CC2)C1 ZINC001046085429 766927683 /nfs/dbraw/zinc/92/76/83/766927683.db2.gz OCEQSEUCYJIJCY-HNNXBMFYSA-N 1 1 347.463 0.132 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(N(C)C)cn3)CC2)C1 ZINC001046086071 766928238 /nfs/dbraw/zinc/92/82/38/766928238.db2.gz GQSATPUDFBMUKV-QGZVFWFLSA-N 1 1 341.459 0.613 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046086628 766928591 /nfs/dbraw/zinc/92/85/91/766928591.db2.gz XZTHVMQYGSZBOF-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)c3cnn(C)c3)CC2)C1 ZINC001046086452 766928637 /nfs/dbraw/zinc/92/86/37/766928637.db2.gz JCKKVTLIKYJJJF-WBVHZDCISA-N 1 1 329.448 0.375 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001042007912 782590672 /nfs/dbraw/zinc/59/06/72/782590672.db2.gz YESJVFVBTZDVST-NWDGAFQWSA-N 1 1 325.800 0.659 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001042007912 782590678 /nfs/dbraw/zinc/59/06/78/782590678.db2.gz YESJVFVBTZDVST-NWDGAFQWSA-N 1 1 325.800 0.659 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC001046089895 766932033 /nfs/dbraw/zinc/93/20/33/766932033.db2.gz KQSPLXNKCSPFJB-HNNXBMFYSA-N 1 1 330.436 0.072 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001078266969 782591814 /nfs/dbraw/zinc/59/18/14/782591814.db2.gz MUJMASMGRQHJLQ-NUEKZKHPSA-N 1 1 329.400 0.850 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994847318 766977702 /nfs/dbraw/zinc/97/77/02/766977702.db2.gz MWVYIZDFXXUBMB-ZWNOBZJWSA-N 1 1 343.855 0.811 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994847318 766977706 /nfs/dbraw/zinc/97/77/06/766977706.db2.gz MWVYIZDFXXUBMB-ZWNOBZJWSA-N 1 1 343.855 0.811 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000992601080 766981682 /nfs/dbraw/zinc/98/16/82/766981682.db2.gz SJSJLFQKVIMDEB-MRXNPFEDSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000992601080 766981687 /nfs/dbraw/zinc/98/16/87/766981687.db2.gz SJSJLFQKVIMDEB-MRXNPFEDSA-N 1 1 346.431 0.335 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cccnc2OC)C1 ZINC001031740492 766984373 /nfs/dbraw/zinc/98/43/73/766984373.db2.gz DEQMPNHKTMDRHN-KRWDZBQOSA-N 1 1 342.443 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cccnc2OC)C1 ZINC001031740492 766984377 /nfs/dbraw/zinc/98/43/77/766984377.db2.gz DEQMPNHKTMDRHN-KRWDZBQOSA-N 1 1 342.443 0.736 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(=O)n(C)c1)CO2 ZINC001053856115 767036996 /nfs/dbraw/zinc/03/69/96/767036996.db2.gz BPUHPJUBBIDMOD-HNNXBMFYSA-N 1 1 331.416 0.925 20 30 ECEDMO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001046221732 767088935 /nfs/dbraw/zinc/08/89/35/767088935.db2.gz VDWFWIHTFOXXJB-KRWDZBQOSA-N 1 1 343.387 0.230 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3OC)CC2)C1 ZINC001078279175 782607639 /nfs/dbraw/zinc/60/76/39/782607639.db2.gz YHZULTXFWJDQML-HZPDHXFCSA-N 1 1 328.412 0.911 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3OC)CC2)C1 ZINC001078279175 782607642 /nfs/dbraw/zinc/60/76/42/782607642.db2.gz YHZULTXFWJDQML-HZPDHXFCSA-N 1 1 328.412 0.911 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CCn4cncn4)[C@H]3C2)c[nH]1 ZINC001042018103 782607815 /nfs/dbraw/zinc/60/78/15/782607815.db2.gz GCWBBYRSWKHNRO-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253408 767110890 /nfs/dbraw/zinc/11/08/90/767110890.db2.gz XXMILUYAMFDVIZ-QAPCUYQASA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253408 767110892 /nfs/dbraw/zinc/11/08/92/767110892.db2.gz XXMILUYAMFDVIZ-QAPCUYQASA-N 1 1 341.415 0.867 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046288618 767129243 /nfs/dbraw/zinc/12/92/43/767129243.db2.gz PKKGCYPRDWXROB-WMLDXEAASA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046288618 767129244 /nfs/dbraw/zinc/12/92/44/767129244.db2.gz PKKGCYPRDWXROB-WMLDXEAASA-N 1 1 346.362 0.886 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1coc(C(N)=O)c1)CO2 ZINC001053880133 767135227 /nfs/dbraw/zinc/13/52/27/767135227.db2.gz JMKXYWONDLHQDB-CYBMUJFWSA-N 1 1 333.388 0.918 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cncn3)c2)[C@@H](O)C1 ZINC001083766332 767138356 /nfs/dbraw/zinc/13/83/56/767138356.db2.gz ZKKHQOIEFJXDAE-CVEARBPZSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001046311628 767140766 /nfs/dbraw/zinc/14/07/66/767140766.db2.gz IJHONNDHTDCKRV-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001046311999 767141449 /nfs/dbraw/zinc/14/14/49/767141449.db2.gz ODLHXKARKNIWJA-UONOGXRCSA-N 1 1 335.448 0.230 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CC4)[C@@H]3C2)c[nH]1 ZINC001042019253 782610064 /nfs/dbraw/zinc/61/00/64/782610064.db2.gz QXOODPWJTRYIMQ-MLGOLLRUSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CC4)[C@@H]3C2)c[nH]1 ZINC001042019253 782610065 /nfs/dbraw/zinc/61/00/65/782610065.db2.gz QXOODPWJTRYIMQ-MLGOLLRUSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N4CCC4)[C@H]3C2)c[nH]1 ZINC001042018899 782610344 /nfs/dbraw/zinc/61/03/44/782610344.db2.gz ORWHMBKZNQEPFY-BBRMVZONSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@H](OC)C1 ZINC001212313096 767203894 /nfs/dbraw/zinc/20/38/94/767203894.db2.gz FJICATIBSSJDJY-HUUCEWRRSA-N 1 1 335.404 0.791 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3cccnc13)CO2 ZINC001053889341 767231281 /nfs/dbraw/zinc/23/12/81/767231281.db2.gz HJIQHHVQOLIDMP-ZDUSSCGKSA-N 1 1 327.388 0.879 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2CC[C@H]1[C@@H]1C[N@@H+](CC(=O)N3CCC3)C[C@@H]12 ZINC001089805216 767233054 /nfs/dbraw/zinc/23/30/54/767233054.db2.gz DCFRCTQIVZIXRQ-MLHJIOFPSA-N 1 1 341.455 0.801 20 30 ECEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001046466532 767243531 /nfs/dbraw/zinc/24/35/31/767243531.db2.gz MFBZCRWAVNVURT-KRWDZBQOSA-N 1 1 332.404 0.107 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cccn3)n2)[C@@H](O)C1 ZINC001083767406 767244812 /nfs/dbraw/zinc/24/48/12/767244812.db2.gz CDZLQNSWZUJGDG-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cccn3)n2)[C@@H](O)C1 ZINC001083767406 767244819 /nfs/dbraw/zinc/24/48/19/767244819.db2.gz CDZLQNSWZUJGDG-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC(NC(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC000994926673 767257467 /nfs/dbraw/zinc/25/74/67/767257467.db2.gz NUMOVGIJKJACSF-UHFFFAOYSA-N 1 1 346.475 0.000 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3coc(OC)n3)C2)C1=O ZINC001046518357 767275319 /nfs/dbraw/zinc/27/53/19/767275319.db2.gz MASKVPZRWJNVJU-SUMWQHHRSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3coc(OC)n3)C2)C1=O ZINC001046518357 767275320 /nfs/dbraw/zinc/27/53/20/767275320.db2.gz MASKVPZRWJNVJU-SUMWQHHRSA-N 1 1 348.403 0.664 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001046540954 767292060 /nfs/dbraw/zinc/29/20/60/767292060.db2.gz BKVZQTAUAKATPN-YJBOKZPZSA-N 1 1 341.415 0.662 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2n[nH]nc2n1 ZINC001089818607 767296535 /nfs/dbraw/zinc/29/65/35/767296535.db2.gz WJEWMXHJDWRBBA-VLXAULBPSA-N 1 1 336.399 0.769 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001016926631 767324900 /nfs/dbraw/zinc/32/49/00/767324900.db2.gz PJCMUEDBUHJEDP-BBRMVZONSA-N 1 1 327.432 0.904 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001016926631 767324903 /nfs/dbraw/zinc/32/49/03/767324903.db2.gz PJCMUEDBUHJEDP-BBRMVZONSA-N 1 1 327.432 0.904 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 ZINC001046582497 767329521 /nfs/dbraw/zinc/32/95/21/767329521.db2.gz WGKUODBKBOIKKX-RMRHIDDWSA-N 1 1 328.420 0.853 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046585622 767335411 /nfs/dbraw/zinc/33/54/11/767335411.db2.gz HJVNGTWLUWIHNN-YOEHRIQHSA-N 1 1 327.388 0.320 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)nc1COC ZINC001089822924 767339379 /nfs/dbraw/zinc/33/93/79/767339379.db2.gz BFAXBBDYOZKNSI-KRXQYRFLSA-N 1 1 342.443 0.982 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001046605031 767356985 /nfs/dbraw/zinc/35/69/85/767356985.db2.gz PAAJPXLLVHOCHW-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001046605031 767356992 /nfs/dbraw/zinc/35/69/92/767356992.db2.gz PAAJPXLLVHOCHW-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106147460 767370587 /nfs/dbraw/zinc/37/05/87/767370587.db2.gz PATHVSFWINOZIJ-CABCVRRESA-N 1 1 331.420 0.717 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncnc(CC)c1F ZINC001106154888 767391143 /nfs/dbraw/zinc/39/11/43/767391143.db2.gz QGDCRUTVJUEEKL-OCCSQVGLSA-N 1 1 349.410 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncnc(CC)c1F ZINC001106154888 767391154 /nfs/dbraw/zinc/39/11/54/767391154.db2.gz QGDCRUTVJUEEKL-OCCSQVGLSA-N 1 1 349.410 0.165 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1snc(C)c1C#N ZINC001106155034 767392360 /nfs/dbraw/zinc/39/23/60/767392360.db2.gz RTPBEZCJXQFCFR-OCCSQVGLSA-N 1 1 347.444 0.310 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1snc(C)c1C#N ZINC001106155034 767392370 /nfs/dbraw/zinc/39/23/70/767392370.db2.gz RTPBEZCJXQFCFR-OCCSQVGLSA-N 1 1 347.444 0.310 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106155439 767393400 /nfs/dbraw/zinc/39/34/00/767393400.db2.gz YSTDFQWMVPUPIX-HIFRSBDPSA-N 1 1 345.378 0.079 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106155439 767393411 /nfs/dbraw/zinc/39/34/11/767393411.db2.gz YSTDFQWMVPUPIX-HIFRSBDPSA-N 1 1 345.378 0.079 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001106157220 767416547 /nfs/dbraw/zinc/41/65/47/767416547.db2.gz BHFRHSCMVYUNNI-CABCVRRESA-N 1 1 346.435 0.420 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn(CCOC)n1 ZINC001089837035 767432800 /nfs/dbraw/zinc/43/28/00/767432800.db2.gz XKYCKYNHYKENKQ-DFGXFYAUSA-N 1 1 342.443 0.945 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)nn1 ZINC001053949697 767433207 /nfs/dbraw/zinc/43/32/07/767433207.db2.gz NXKOSDGQWDQTJB-ZIAGYGMSSA-N 1 1 347.419 0.074 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001046678592 767466479 /nfs/dbraw/zinc/46/64/79/767466479.db2.gz SRHZIEFAGVTRNO-QAPCUYQASA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001046678592 767466482 /nfs/dbraw/zinc/46/64/82/767466482.db2.gz SRHZIEFAGVTRNO-QAPCUYQASA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CCN3CCCC3=O)C2)nn1 ZINC001046680312 767468561 /nfs/dbraw/zinc/46/85/61/767468561.db2.gz BQORSYGKGSOPQM-KRWDZBQOSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001046689751 767486506 /nfs/dbraw/zinc/48/65/06/767486506.db2.gz NUBOXURACYHHPH-SUMWQHHRSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001046689751 767486512 /nfs/dbraw/zinc/48/65/12/767486512.db2.gz NUBOXURACYHHPH-SUMWQHHRSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)C1=O ZINC001017062200 767531002 /nfs/dbraw/zinc/53/10/02/767531002.db2.gz HLCJFXNAOYUXRG-HOCLYGCPSA-N 1 1 345.447 0.981 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CN(CC)CCO1)CO2 ZINC001054014677 767601789 /nfs/dbraw/zinc/60/17/89/767601789.db2.gz PRRRMGZQQWWMQI-HOTGVXAUSA-N 1 1 337.464 0.633 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nncn3C1)CO2 ZINC001054016723 767607263 /nfs/dbraw/zinc/60/72/63/767607263.db2.gz JOEGZESHKXOILW-CABCVRRESA-N 1 1 345.447 0.766 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC(=O)N(C)C1)CO2 ZINC001054018175 767610952 /nfs/dbraw/zinc/61/09/52/767610952.db2.gz YHZCVPPHZLPSCA-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001060476440 767688468 /nfs/dbraw/zinc/68/84/68/767688468.db2.gz OMEYWLPQZRWHNP-JYKNGBAOSA-N 1 1 326.404 0.097 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001054111899 767701900 /nfs/dbraw/zinc/70/19/00/767701900.db2.gz DEOIAKJLTHXPDW-YVEFUNNKSA-N 1 1 329.404 0.688 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)c[nH]1 ZINC001054118535 767706541 /nfs/dbraw/zinc/70/65/41/767706541.db2.gz KJGRUQMTIZSELX-YJBOKZPZSA-N 1 1 341.415 0.703 20 30 ECEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017194905 767710594 /nfs/dbraw/zinc/71/05/94/767710594.db2.gz QRBMGHSFKCUXGH-CYBMUJFWSA-N 1 1 332.379 0.853 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)C#CC2CC2)C3)C1=O ZINC001054131013 767726566 /nfs/dbraw/zinc/72/65/66/767726566.db2.gz CNRMUHNBIXZKMS-APWZRJJASA-N 1 1 329.444 0.945 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)N1C(=O)CCC1=O)C2 ZINC001054141527 767736071 /nfs/dbraw/zinc/73/60/71/767736071.db2.gz MFSRFAOYRKIVSV-BEFAXECRSA-N 1 1 345.443 0.862 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)C2 ZINC001054142084 767736484 /nfs/dbraw/zinc/73/64/84/767736484.db2.gz WWOALMYCCXJEAZ-APWZRJJASA-N 1 1 347.459 0.429 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)S(C)(=O)=O)C2 ZINC001054153555 767749006 /nfs/dbraw/zinc/74/90/06/767749006.db2.gz SUYLPIAEVNQOSJ-GOEBONIOSA-N 1 1 326.462 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3cnon3)C2)C1=O ZINC001017235678 767751868 /nfs/dbraw/zinc/75/18/68/767751868.db2.gz JODNJTZINZUZQO-DZGCQCFKSA-N 1 1 347.419 0.641 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)c1 ZINC001054194126 767793688 /nfs/dbraw/zinc/79/36/88/767793688.db2.gz KGJJBKBKPXQZHI-LIRRHRJNSA-N 1 1 340.427 0.865 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001054200830 767797906 /nfs/dbraw/zinc/79/79/06/767797906.db2.gz LVXXCHOLJGIMCA-GJYPPUQNSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCc3nnnn3CC1)C2 ZINC001054201959 767799751 /nfs/dbraw/zinc/79/97/51/767799751.db2.gz UGGDANKJDRMZNU-CRAIPNDOSA-N 1 1 342.447 0.573 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001054206338 767804756 /nfs/dbraw/zinc/80/47/56/767804756.db2.gz ICPNFLNTYWLYDR-KBXCAEBGSA-N 1 1 348.447 0.865 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001054237723 767847356 /nfs/dbraw/zinc/84/73/56/767847356.db2.gz AXAJYYYRNMWAKZ-GUYCJALGSA-N 1 1 334.420 0.475 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2nccnc2C#N)C1 ZINC001106540134 768420113 /nfs/dbraw/zinc/42/01/13/768420113.db2.gz WZXVIZFNJRYCQL-UKRRQHHQSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2nccnc2C#N)C1 ZINC001106540134 768420117 /nfs/dbraw/zinc/42/01/17/768420117.db2.gz WZXVIZFNJRYCQL-UKRRQHHQSA-N 1 1 346.435 0.764 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)C1 ZINC001054935205 768443544 /nfs/dbraw/zinc/44/35/44/768443544.db2.gz FOAUMSQMPMOJOM-UGUYLWEFSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)C1 ZINC001054935205 768443550 /nfs/dbraw/zinc/44/35/50/768443550.db2.gz FOAUMSQMPMOJOM-UGUYLWEFSA-N 1 1 341.415 0.510 20 30 ECEDMO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001106623463 768523565 /nfs/dbraw/zinc/52/35/65/768523565.db2.gz CQMOXDRHUULHBA-UONOGXRCSA-N 1 1 330.436 0.951 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 ZINC001055147217 768607783 /nfs/dbraw/zinc/60/77/83/768607783.db2.gz KIJQDRVFVMUCTE-RDBSUJKOSA-N 1 1 337.387 0.779 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CCn1cncn1 ZINC000993233361 768614537 /nfs/dbraw/zinc/61/45/37/768614537.db2.gz KVYHDDBMSUTGCV-GXTWGEPZSA-N 1 1 327.392 0.761 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268665 768725282 /nfs/dbraw/zinc/72/52/82/768725282.db2.gz OQCKMTMPSORUTK-WCXIOVBPSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268665 768725285 /nfs/dbraw/zinc/72/52/85/768725285.db2.gz OQCKMTMPSORUTK-WCXIOVBPSA-N 1 1 349.475 0.836 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001055306964 768764360 /nfs/dbraw/zinc/76/43/60/768764360.db2.gz SJIGCPLWIVONSD-CALCHBBNSA-N 1 1 347.459 0.429 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001055313107 768767603 /nfs/dbraw/zinc/76/76/03/768767603.db2.gz BTWHQEALKNMNLP-JEWRLFTDSA-N 1 1 349.475 0.572 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055344943 768802798 /nfs/dbraw/zinc/80/27/98/768802798.db2.gz JJRSHTUOUXASLV-FPCVCCKLSA-N 1 1 335.448 0.446 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001055379473 768834979 /nfs/dbraw/zinc/83/49/79/768834979.db2.gz BUJJPGWBMPGFKT-OAGGEKHMSA-N 1 1 337.464 0.836 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)N(C)C1=O ZINC001018169409 768844140 /nfs/dbraw/zinc/84/41/40/768844140.db2.gz JXVHQAVXWVDCNG-OKILXGFUSA-N 1 1 334.420 0.522 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993390636 768937856 /nfs/dbraw/zinc/93/78/56/768937856.db2.gz FXGWRNXITVXMOA-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)CC[NH+]1CCOCC1 ZINC001106798266 769014237 /nfs/dbraw/zinc/01/42/37/769014237.db2.gz WRTXHWXFQAWFOF-UHFFFAOYSA-N 1 1 332.408 0.331 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)cn1 ZINC001031278216 769050817 /nfs/dbraw/zinc/05/08/17/769050817.db2.gz HUCTUQGBHWTCJK-ZDUSSCGKSA-N 1 1 326.400 0.393 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2cocn2)CC1 ZINC001055542484 769065426 /nfs/dbraw/zinc/06/54/26/769065426.db2.gz BUNHONDGPNGOFQ-UHFFFAOYSA-N 1 1 330.388 0.398 20 30 ECEDMO Cc1ncoc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055552727 769097246 /nfs/dbraw/zinc/09/72/46/769097246.db2.gz ANKXNPVIWCNTJG-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2cccnn2)CC1 ZINC001055575367 769161735 /nfs/dbraw/zinc/16/17/35/769161735.db2.gz UNLLJFCUTJRUQH-UHFFFAOYSA-N 1 1 341.415 0.200 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)CC1 ZINC001018356992 769178534 /nfs/dbraw/zinc/17/85/34/769178534.db2.gz ZKDACSQYSOYORU-DLBZAZTESA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H](C)OC)C2)CC1 ZINC001018358903 769187147 /nfs/dbraw/zinc/18/71/47/769187147.db2.gz WYBAWUYLOZNXNH-HZPDHXFCSA-N 1 1 337.464 0.980 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC001018362585 769199435 /nfs/dbraw/zinc/19/94/35/769199435.db2.gz GEEABNWUBAJBQH-LSDHHAIUSA-N 1 1 338.427 0.888 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CC1 ZINC001018363049 769200129 /nfs/dbraw/zinc/20/01/29/769200129.db2.gz KOQQXAHLDSRLSS-NVXWUHKLSA-N 1 1 347.459 0.163 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ncc[nH]3)C2)CC1 ZINC001018366193 769211906 /nfs/dbraw/zinc/21/19/06/769211906.db2.gz KWSZQEUUOXZNPL-OAHLLOKOSA-N 1 1 343.431 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H]1C ZINC000993527201 769227991 /nfs/dbraw/zinc/22/79/91/769227991.db2.gz ZMVNDNUGJFSIJR-QWHCGFSZSA-N 1 1 328.376 0.535 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCCS3(=O)=O)C[C@H]21 ZINC001042084128 782734537 /nfs/dbraw/zinc/73/45/37/782734537.db2.gz OHKHUXGGXZZJLQ-LSDHHAIUSA-N 1 1 341.477 0.521 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2csnn2)CC1 ZINC001055631583 769303104 /nfs/dbraw/zinc/30/31/04/769303104.db2.gz IOJCFVNIEDAOEA-SNVBAGLBSA-N 1 1 336.421 0.008 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H]1C ZINC000993585792 769311053 /nfs/dbraw/zinc/31/10/53/769311053.db2.gz DDFKKHOUACERRN-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2OCC(N)=O)[C@@H]1C ZINC000993562088 769319024 /nfs/dbraw/zinc/31/90/24/769319024.db2.gz DKRTUQIXUUCTBJ-ZFWWWQNUSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2OCC(N)=O)[C@@H]1C ZINC000993562088 769319031 /nfs/dbraw/zinc/31/90/31/769319031.db2.gz DKRTUQIXUUCTBJ-ZFWWWQNUSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H]1C ZINC000993619663 769372530 /nfs/dbraw/zinc/37/25/30/769372530.db2.gz HLPRHLFWWIHRDQ-DZGCQCFKSA-N 1 1 339.403 0.663 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001018545458 769488868 /nfs/dbraw/zinc/48/88/68/769488868.db2.gz ATAJAOWGJRCXEQ-HOTGVXAUSA-N 1 1 333.363 0.803 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)c[nH]1 ZINC001007155667 769508228 /nfs/dbraw/zinc/50/82/28/769508228.db2.gz KJJWAXLSAQLPSC-ZDUSSCGKSA-N 1 1 330.392 0.106 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)[C@@H]2C)c1 ZINC000993768698 769588204 /nfs/dbraw/zinc/58/82/04/769588204.db2.gz FPEBCXRUBRZKIL-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)[C@@H]2C)c1 ZINC000993768698 769588211 /nfs/dbraw/zinc/58/82/11/769588211.db2.gz FPEBCXRUBRZKIL-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC001042098458 782761293 /nfs/dbraw/zinc/76/12/93/782761293.db2.gz QVEPXZBOWRJICS-HZPDHXFCSA-N 1 1 335.448 0.734 20 30 ECEDMO Cc1cc(=O)n2nc(C[NH2+][C@H]3CCN(C(=O)[C@@H](C)C#N)C3)sc2n1 ZINC001018617320 769649764 /nfs/dbraw/zinc/64/97/64/769649764.db2.gz HLJZDVGFCOVGCW-ONGXEEELSA-N 1 1 346.416 0.310 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001078361270 782774021 /nfs/dbraw/zinc/77/40/21/782774021.db2.gz AEELRAZCJQGEIM-HNNXBMFYSA-N 1 1 348.378 0.280 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CCCC1 ZINC001042104246 782776518 /nfs/dbraw/zinc/77/65/18/782776518.db2.gz MGUQOKMBNPJQNP-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)nc1 ZINC000993882823 769782808 /nfs/dbraw/zinc/78/28/08/769782808.db2.gz VCWLJDXTGZMUPE-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001018731464 769820352 /nfs/dbraw/zinc/82/03/52/769820352.db2.gz YNPHYWNFDLTKHS-LBPRGKRZSA-N 1 1 328.380 0.458 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)c[nH]1 ZINC001018739031 769831096 /nfs/dbraw/zinc/83/10/96/769831096.db2.gz WLCJMWIVSMUITE-NSHDSACASA-N 1 1 326.364 0.212 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)[C@@H]2C)nn1 ZINC000993942165 769917579 /nfs/dbraw/zinc/91/75/79/769917579.db2.gz CLOLGEBVUUVNOQ-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)[C@@H]2C)nn1 ZINC000993942165 769917588 /nfs/dbraw/zinc/91/75/88/769917588.db2.gz CLOLGEBVUUVNOQ-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@@](CO)(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001055837781 769920179 /nfs/dbraw/zinc/92/01/79/769920179.db2.gz OHEDAFDESFWKAB-DNVCBOLYSA-N 1 1 349.475 0.907 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001055854626 769985266 /nfs/dbraw/zinc/98/52/66/769985266.db2.gz ISWJYQWNKWDXSC-CQSZACIVSA-N 1 1 328.420 0.647 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@H]21 ZINC001042115682 782797292 /nfs/dbraw/zinc/79/72/92/782797292.db2.gz YWIGKMYWFLCPMH-DZGCQCFKSA-N 1 1 338.473 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@H]21 ZINC001042115682 782797295 /nfs/dbraw/zinc/79/72/95/782797295.db2.gz YWIGKMYWFLCPMH-DZGCQCFKSA-N 1 1 338.473 0.920 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@@H]1C ZINC000994092829 770124366 /nfs/dbraw/zinc/12/43/66/770124366.db2.gz NGJXHGXTUPYZKS-GXTWGEPZSA-N 1 1 332.404 0.731 20 30 ECEDMO N#Cc1cncc(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)n1 ZINC001055928582 770250089 /nfs/dbraw/zinc/25/00/89/770250089.db2.gz WHNGGJHZEZLPJI-AWEZNQCLSA-N 1 1 337.387 0.771 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C ZINC000994179097 770264819 /nfs/dbraw/zinc/26/48/19/770264819.db2.gz YNWCXDAYTMQYNU-CHWSQXEVSA-N 1 1 336.436 0.862 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001055934700 770277565 /nfs/dbraw/zinc/27/75/65/770277565.db2.gz HKCDTCPNZRPRCG-VQIMIIECSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000994199365 770290066 /nfs/dbraw/zinc/29/00/66/770290066.db2.gz UZHQEIHBZRWBOM-UKRRQHHQSA-N 1 1 330.432 0.955 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H]1C ZINC000994214578 770319623 /nfs/dbraw/zinc/31/96/23/770319623.db2.gz UWVSTGVKBJMFJX-UONOGXRCSA-N 1 1 336.436 0.816 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC(C)(C)C1 ZINC001089357301 770326497 /nfs/dbraw/zinc/32/64/97/770326497.db2.gz JMZKENGTNIXJAO-VXGBXAGGSA-N 1 1 331.420 0.981 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055953638 770348121 /nfs/dbraw/zinc/34/81/21/770348121.db2.gz HDGJMWFIVCPZCW-QFBILLFUSA-N 1 1 349.475 0.601 20 30 ECEDMO C=C(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055972972 770408270 /nfs/dbraw/zinc/40/82/70/770408270.db2.gz OVSLGQRQHOUFRJ-MAUKXSAKSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(CC)s2)C1 ZINC001018985770 770484057 /nfs/dbraw/zinc/48/40/57/770484057.db2.gz DPPOTPIGXBNLRS-KBPBESRZSA-N 1 1 347.488 0.889 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(CC)s2)C1 ZINC001018985770 770484060 /nfs/dbraw/zinc/48/40/60/770484060.db2.gz DPPOTPIGXBNLRS-KBPBESRZSA-N 1 1 347.488 0.889 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 ZINC001042143329 782844638 /nfs/dbraw/zinc/84/46/38/782844638.db2.gz WPPGGMFHMOUHSG-HUUCEWRRSA-N 1 1 331.416 0.472 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001056032203 770619243 /nfs/dbraw/zinc/61/92/43/770619243.db2.gz IMIIXBKZDRHQFG-KRWDZBQOSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cnco2)[C@H](C)C1 ZINC000994346492 770637991 /nfs/dbraw/zinc/63/79/91/770637991.db2.gz ZUCHCQBRSAGAQT-KFWWJZLASA-N 1 1 344.415 0.597 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cnco2)[C@H](C)C1 ZINC000994346492 770637998 /nfs/dbraw/zinc/63/79/98/770637998.db2.gz ZUCHCQBRSAGAQT-KFWWJZLASA-N 1 1 344.415 0.597 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001083751382 770681592 /nfs/dbraw/zinc/68/15/92/770681592.db2.gz TVGARETZOVSWFJ-SJORKVTESA-N 1 1 349.475 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C)ncc2C)CC1 ZINC001056067399 770732591 /nfs/dbraw/zinc/73/25/91/770732591.db2.gz JXGQRFPGDSMLOS-INIZCTEOSA-N 1 1 327.432 0.840 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C)ncc2C)CC1 ZINC001056067399 770732594 /nfs/dbraw/zinc/73/25/94/770732594.db2.gz JXGQRFPGDSMLOS-INIZCTEOSA-N 1 1 327.432 0.840 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1C ZINC000994408228 770752449 /nfs/dbraw/zinc/75/24/49/770752449.db2.gz DPDJSSVDMYPIJP-CABCVRRESA-N 1 1 343.493 0.262 20 30 ECEDMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCCO1)c1nncn1C ZINC001078398283 782869623 /nfs/dbraw/zinc/86/96/23/782869623.db2.gz LYQJAFYTTMKWPX-HIFRSBDPSA-N 1 1 331.420 0.497 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C)[C@H](C)C1 ZINC000994455462 770838880 /nfs/dbraw/zinc/83/88/80/770838880.db2.gz UWQMRLAWZRUBTN-BIVLZKPYSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C)[C@H](C)C1 ZINC000994455462 770838893 /nfs/dbraw/zinc/83/88/93/770838893.db2.gz UWQMRLAWZRUBTN-BIVLZKPYSA-N 1 1 331.460 0.951 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001056127660 770890381 /nfs/dbraw/zinc/89/03/81/770890381.db2.gz GLVNWOZJYPXROG-MAUKXSAKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1C ZINC000994491799 770896614 /nfs/dbraw/zinc/89/66/14/770896614.db2.gz YNQSTMKPKBHFQX-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cc[nH]c1)C2 ZINC001019144510 770918923 /nfs/dbraw/zinc/91/89/23/770918923.db2.gz NPBCNUJQPLYIKK-INIZCTEOSA-N 1 1 340.427 0.787 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cc[nH]c1)C2 ZINC001019144510 770918927 /nfs/dbraw/zinc/91/89/27/770918927.db2.gz NPBCNUJQPLYIKK-INIZCTEOSA-N 1 1 340.427 0.787 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]21 ZINC001042172361 782888606 /nfs/dbraw/zinc/88/86/06/782888606.db2.gz FDGXTJSWPVZRBF-DZGCQCFKSA-N 1 1 344.415 0.685 20 30 ECEDMO C=C(Br)CN1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001031418675 771037303 /nfs/dbraw/zinc/03/73/03/771037303.db2.gz AIBGEYBZKWYPKO-GFCCVEGCSA-N 1 1 332.242 0.416 20 30 ECEDMO C=C(Br)CN1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001031418675 771037309 /nfs/dbraw/zinc/03/73/09/771037309.db2.gz AIBGEYBZKWYPKO-GFCCVEGCSA-N 1 1 332.242 0.416 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1C ZINC001056313347 771109664 /nfs/dbraw/zinc/10/96/64/771109664.db2.gz ACCNPIOAXCACKS-CVEARBPZSA-N 1 1 346.431 0.986 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC(C)(C)C1 ZINC001089423364 771122889 /nfs/dbraw/zinc/12/28/89/771122889.db2.gz IXFOSCCQEIVQFR-INIZCTEOSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC(C)(C)C1 ZINC001089425872 771131087 /nfs/dbraw/zinc/13/10/87/771131087.db2.gz DVKQEQOMYWUBQO-CQSZACIVSA-N 1 1 333.436 0.212 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC001056412563 771244746 /nfs/dbraw/zinc/24/47/46/771244746.db2.gz JUXKYQAZVQISMQ-UTXMOHQDSA-N 1 1 325.416 0.988 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)/C=C(\C)CC)[C@H](OC)C2)C1=O ZINC001212237568 771257517 /nfs/dbraw/zinc/25/75/17/771257517.db2.gz RRFUPTLGDGPINR-YFEHBSAISA-N 1 1 335.448 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)/C=C(\C)CC)[C@H](OC)C2)C1=O ZINC001212237568 771257519 /nfs/dbraw/zinc/25/75/19/771257519.db2.gz RRFUPTLGDGPINR-YFEHBSAISA-N 1 1 335.448 0.945 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001056460383 771295153 /nfs/dbraw/zinc/29/51/53/771295153.db2.gz BKLRFYOIDSTXKX-CTASWTNQSA-N 1 1 326.404 0.383 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC(C)(C)C2)c1 ZINC001089487984 771315642 /nfs/dbraw/zinc/31/56/42/771315642.db2.gz QKELOWNMPPCREQ-HNNXBMFYSA-N 1 1 328.416 0.769 20 30 ECEDMO COC(=O)[C@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031578189 771325171 /nfs/dbraw/zinc/32/51/71/771325171.db2.gz HEULYSMGGUVTBW-SJORKVTESA-N 1 1 326.396 0.895 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056496034 771335228 /nfs/dbraw/zinc/33/52/28/771335228.db2.gz JCXWUPYNAJDWEU-YESZJQIVSA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C(C)C)[nH]3)C2)nn1 ZINC001019483381 771346688 /nfs/dbraw/zinc/34/66/88/771346688.db2.gz PLGHJMSYUPXDLY-LBPRGKRZSA-N 1 1 344.423 0.710 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)CC(C)(C)C2)nn1 ZINC001089514695 771381994 /nfs/dbraw/zinc/38/19/94/771381994.db2.gz OTJGCHRPOGIOFV-STQMWFEESA-N 1 1 348.451 0.558 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC(C)(C)C1 ZINC001089514876 771382112 /nfs/dbraw/zinc/38/21/12/771382112.db2.gz QQNZKLFTYJZYDT-YNAXMUEKSA-N 1 1 346.431 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNC(=O)C2CCC2)C1 ZINC001019510533 771384977 /nfs/dbraw/zinc/38/49/77/771384977.db2.gz MEHGYBVTEAAMSW-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNC(=O)C2CCC2)C1 ZINC001019510533 771384981 /nfs/dbraw/zinc/38/49/81/771384981.db2.gz MEHGYBVTEAAMSW-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC(C)(C)C1 ZINC001089542002 771427653 /nfs/dbraw/zinc/42/76/53/771427653.db2.gz QFLQSKVKHQOKGF-CQSZACIVSA-N 1 1 348.447 0.511 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001056630586 771448906 /nfs/dbraw/zinc/44/89/06/771448906.db2.gz KCWYXSCBDJELOQ-JKSUJKDBSA-N 1 1 337.464 0.980 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCNC(=O)C3)C2)s1 ZINC001031612868 771451641 /nfs/dbraw/zinc/45/16/41/771451641.db2.gz FWASVWJLZWTMIH-GFCCVEGCSA-N 1 1 332.429 0.694 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)CC(C)(C)C1 ZINC001089552352 771462189 /nfs/dbraw/zinc/46/21/89/771462189.db2.gz BKDKUVAEBAVGNX-CQSZACIVSA-N 1 1 333.432 0.766 20 30 ECEDMO C[C@@H]1CCCCN1C(=O)C[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031621208 771480041 /nfs/dbraw/zinc/48/00/41/771480041.db2.gz GMOVYCSZQWXIKZ-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)CC(C)(C)C1 ZINC001089560452 771490038 /nfs/dbraw/zinc/49/00/38/771490038.db2.gz YNKNWUAWIOJVEM-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001056693405 771523255 /nfs/dbraw/zinc/52/32/55/771523255.db2.gz SOWGMEZPARRKMA-YYIAUSFCSA-N 1 1 347.459 0.568 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)C1 ZINC001019590002 771553786 /nfs/dbraw/zinc/55/37/86/771553786.db2.gz KEMWBWFMLIMWIO-HZPDHXFCSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001019641576 771648416 /nfs/dbraw/zinc/64/84/16/771648416.db2.gz MOVYNDIRIMWYKH-TWMKSMIVSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001019641576 771648420 /nfs/dbraw/zinc/64/84/20/771648420.db2.gz MOVYNDIRIMWYKH-TWMKSMIVSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001056796390 771654394 /nfs/dbraw/zinc/65/43/94/771654394.db2.gz OAQLVTFNAFUIEY-NWDGAFQWSA-N 1 1 325.376 0.963 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001056796426 771654715 /nfs/dbraw/zinc/65/47/15/771654715.db2.gz PXDZRMVAHZFLEI-WCQYABFASA-N 1 1 325.376 0.963 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)n3CC)C2)cn1 ZINC001019673970 771702290 /nfs/dbraw/zinc/70/22/90/771702290.db2.gz UEDVFFNYMOIUKK-INIZCTEOSA-N 1 1 338.415 0.987 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)cn3)C2)C1 ZINC001056930151 771821759 /nfs/dbraw/zinc/82/17/59/771821759.db2.gz DEIXPFCDVWMMJL-CVEARBPZSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)cn3)C2)C1 ZINC001056930151 771821762 /nfs/dbraw/zinc/82/17/62/771821762.db2.gz DEIXPFCDVWMMJL-CVEARBPZSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056941518 771838981 /nfs/dbraw/zinc/83/89/81/771838981.db2.gz BMWKLNIUEKDYRC-DZGCQCFKSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3cnc(C#N)cn3)C2)C1 ZINC001057029122 771966132 /nfs/dbraw/zinc/96/61/32/771966132.db2.gz FJDZKGLEOSKSOB-ZFWWWQNUSA-N 1 1 328.420 0.727 20 30 ECEDMO CN(c1nccnc1C#N)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001057058845 772011136 /nfs/dbraw/zinc/01/11/36/772011136.db2.gz BTQKTACVNVPZDY-AWEZNQCLSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@H]21 ZINC001042243955 782975849 /nfs/dbraw/zinc/97/58/49/782975849.db2.gz UZSIAGXCLXTXGV-UKRRQHHQSA-N 1 1 328.416 0.521 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001042254456 782989186 /nfs/dbraw/zinc/98/91/86/782989186.db2.gz LAOIMZIOGMMZFP-ZFWWWQNUSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001042254456 782989190 /nfs/dbraw/zinc/98/91/90/782989190.db2.gz LAOIMZIOGMMZFP-ZFWWWQNUSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CCCC1(C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001057211797 772285576 /nfs/dbraw/zinc/28/55/76/772285576.db2.gz DCGOWPKNNSFISM-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C[N@@H+](CC(=O)N1CCCN(c2nccnc2C#N)CC1)C1CCC1 ZINC001057251583 772345182 /nfs/dbraw/zinc/34/51/82/772345182.db2.gz RWEBGPYIZWLDRH-UHFFFAOYSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001078468031 783005308 /nfs/dbraw/zinc/00/53/08/783005308.db2.gz VNWZSKXYRJSSFB-BBWFWOEESA-N 1 1 348.491 0.579 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 ZINC001057426598 772601238 /nfs/dbraw/zinc/60/12/38/772601238.db2.gz ACAPBJHXMBHNFJ-WFASDCNBSA-N 1 1 328.420 0.949 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057521516 772713690 /nfs/dbraw/zinc/71/36/90/772713690.db2.gz IACKUQRZHHQEDJ-DLBZAZTESA-N 1 1 349.475 0.457 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057525437 772718420 /nfs/dbraw/zinc/71/84/20/772718420.db2.gz TUDGNEJXBYKDHT-DLBZAZTESA-N 1 1 349.475 0.600 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC(CNc3ccnc(C#N)n3)CC2)C1 ZINC001057541381 772737471 /nfs/dbraw/zinc/73/74/71/772737471.db2.gz FSRLQLBRNCQJIK-AWEZNQCLSA-N 1 1 342.447 0.762 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001057600444 772797682 /nfs/dbraw/zinc/79/76/82/772797682.db2.gz APAMKAOWSSQQGE-GDBMZVCRSA-N 1 1 329.404 0.109 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001057600444 772797685 /nfs/dbraw/zinc/79/76/85/772797685.db2.gz APAMKAOWSSQQGE-GDBMZVCRSA-N 1 1 329.404 0.109 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057655703 772872508 /nfs/dbraw/zinc/87/25/08/772872508.db2.gz QWMPQVBKLOJKNR-HUUCEWRRSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057655703 772872510 /nfs/dbraw/zinc/87/25/10/772872510.db2.gz QWMPQVBKLOJKNR-HUUCEWRRSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739465 772956454 /nfs/dbraw/zinc/95/64/54/772956454.db2.gz BMTZLBKKTMHXMO-HZPDHXFCSA-N 1 1 337.464 0.457 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1)C1CCC1 ZINC001057771922 772972841 /nfs/dbraw/zinc/97/28/41/772972841.db2.gz ROWPZKXRYBBZOA-CYBMUJFWSA-N 1 1 328.420 0.657 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001057774020 772974769 /nfs/dbraw/zinc/97/47/69/772974769.db2.gz BJTLLVTVZKDXIX-BPLDGKMQSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001057774020 772974772 /nfs/dbraw/zinc/97/47/72/772974772.db2.gz BJTLLVTVZKDXIX-BPLDGKMQSA-N 1 1 344.419 0.470 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057786222 772981739 /nfs/dbraw/zinc/98/17/39/772981739.db2.gz NVLBHMMNQLRNAM-KRWDZBQOSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057786222 772981741 /nfs/dbraw/zinc/98/17/41/772981741.db2.gz NVLBHMMNQLRNAM-KRWDZBQOSA-N 1 1 343.431 0.616 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)C ZINC001057864238 773091228 /nfs/dbraw/zinc/09/12/28/773091228.db2.gz IGMFWFIXYUHCSF-MRXNPFEDSA-N 1 1 337.464 0.457 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001057874096 773108440 /nfs/dbraw/zinc/10/84/40/773108440.db2.gz VHZJCIHCYPOWLJ-MRXNPFEDSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001057923270 773191428 /nfs/dbraw/zinc/19/14/28/773191428.db2.gz PSTRODQEFGTDRD-CQSZACIVSA-N 1 1 343.468 0.245 20 30 ECEDMO C=CCCOCC(=O)NCCN(CCO)C(=O)C(C)(C)[N@H+](C)CC ZINC001057942593 773236190 /nfs/dbraw/zinc/23/61/90/773236190.db2.gz MVYBDWXRKFYQTF-UHFFFAOYSA-N 1 1 343.468 0.247 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057946009 773246613 /nfs/dbraw/zinc/24/66/13/773246613.db2.gz OENJYRAIESMIRY-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001057950588 773262899 /nfs/dbraw/zinc/26/28/99/773262899.db2.gz DHVFVIYDTQFOQJ-AWEZNQCLSA-N 1 1 348.447 0.726 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@]1(C)C=CCC1 ZINC001057962467 773295463 /nfs/dbraw/zinc/29/54/63/773295463.db2.gz XOJMBCCBVMTJAX-QFBILLFUSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@]1(C)C=CCC1 ZINC001057962467 773295470 /nfs/dbraw/zinc/29/54/70/773295470.db2.gz XOJMBCCBVMTJAX-QFBILLFUSA-N 1 1 347.459 0.377 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(c3cncc(C#N)n3)CC2)O1 ZINC001057969507 773309113 /nfs/dbraw/zinc/30/91/13/773309113.db2.gz YMALOALCSZSVAC-IUODEOHRSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(c3cncc(C#N)n3)CC2)O1 ZINC001057969507 773309121 /nfs/dbraw/zinc/30/91/21/773309121.db2.gz YMALOALCSZSVAC-IUODEOHRSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccnc(C)n2)CC1 ZINC001057970527 773310878 /nfs/dbraw/zinc/31/08/78/773310878.db2.gz ZBHNAHJEMTTZDQ-INIZCTEOSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccnc(C)n2)CC1 ZINC001057970527 773310884 /nfs/dbraw/zinc/31/08/84/773310884.db2.gz ZBHNAHJEMTTZDQ-INIZCTEOSA-N 1 1 327.432 0.968 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058038661 773402418 /nfs/dbraw/zinc/40/24/18/773402418.db2.gz CGEYEHVKPKKLHP-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001040611377 783100133 /nfs/dbraw/zinc/10/01/33/783100133.db2.gz YRTTYFGFQDKUKO-SFHVURJKSA-N 1 1 337.464 0.600 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058167849 773684077 /nfs/dbraw/zinc/68/40/77/773684077.db2.gz NCNFXQQIFNLTHW-RDJZCZTQSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058167849 773684084 /nfs/dbraw/zinc/68/40/84/773684084.db2.gz NCNFXQQIFNLTHW-RDJZCZTQSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058219455 773793339 /nfs/dbraw/zinc/79/33/39/773793339.db2.gz UORYQYZBXCASHI-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC)C1 ZINC001058255326 773853786 /nfs/dbraw/zinc/85/37/86/773853786.db2.gz LJFNQWLUBIDGOQ-UHFFFAOYSA-N 1 1 325.453 0.622 20 30 ECEDMO C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040630533 783136974 /nfs/dbraw/zinc/13/69/74/783136974.db2.gz VAWFJYMBXYIMQC-CRAIPNDOSA-N 1 1 348.447 0.873 20 30 ECEDMO C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040631189 783137691 /nfs/dbraw/zinc/13/76/91/783137691.db2.gz ZLVJZMSBIWTFQJ-QAPCUYQASA-N 1 1 348.447 0.873 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3snc(C)c3C#N)C2)C1 ZINC001058376309 774059996 /nfs/dbraw/zinc/05/99/96/774059996.db2.gz JXJQCDONWLQIGX-JSGCOSHPSA-N 1 1 349.460 0.739 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3snc(C)c3C#N)C2)C1 ZINC001058376309 774060002 /nfs/dbraw/zinc/06/00/02/774060002.db2.gz JXJQCDONWLQIGX-JSGCOSHPSA-N 1 1 349.460 0.739 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058376557 774060960 /nfs/dbraw/zinc/06/09/60/774060960.db2.gz PWNUGSAZJCTQEM-ZBFHGGJFSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058376557 774060965 /nfs/dbraw/zinc/06/09/65/774060965.db2.gz PWNUGSAZJCTQEM-ZBFHGGJFSA-N 1 1 329.404 0.369 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001058442520 774188978 /nfs/dbraw/zinc/18/89/78/774188978.db2.gz HLFXMBCKNWIBLI-UHFFFAOYSA-N 1 1 325.453 0.459 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058463581 774232805 /nfs/dbraw/zinc/23/28/05/774232805.db2.gz CJNFUADNELEMOQ-HOTGVXAUSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058468799 774245324 /nfs/dbraw/zinc/24/53/24/774245324.db2.gz RHJUIZZSLFEKOP-JKSUJKDBSA-N 1 1 339.480 0.868 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)C1 ZINC001058521119 774352559 /nfs/dbraw/zinc/35/25/59/774352559.db2.gz FJBBUXHGHKJKOY-DZGCQCFKSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)C1 ZINC001058521119 774352563 /nfs/dbraw/zinc/35/25/63/774352563.db2.gz FJBBUXHGHKJKOY-DZGCQCFKSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)C1 ZINC001058521277 774352844 /nfs/dbraw/zinc/35/28/44/774352844.db2.gz ITYVMGGLFCDARZ-UONOGXRCSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)C1 ZINC001058521277 774352850 /nfs/dbraw/zinc/35/28/50/774352850.db2.gz ITYVMGGLFCDARZ-UONOGXRCSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)O1 ZINC001058587516 774484359 /nfs/dbraw/zinc/48/43/59/774484359.db2.gz CLQPNCQFANCPIM-BPLDGKMQSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)O1 ZINC001058587516 774484362 /nfs/dbraw/zinc/48/43/62/774484362.db2.gz CLQPNCQFANCPIM-BPLDGKMQSA-N 1 1 329.404 0.367 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058623531 774561690 /nfs/dbraw/zinc/56/16/90/774561690.db2.gz WCAJOVCIOJFXJU-HNNXBMFYSA-N 1 1 325.453 0.622 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001058624759 774562286 /nfs/dbraw/zinc/56/22/86/774562286.db2.gz IZPPFXPLDVSIGH-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001058624759 774562290 /nfs/dbraw/zinc/56/22/90/774562290.db2.gz IZPPFXPLDVSIGH-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C#CC(C)C)C2)CC[N@H+]1C ZINC001039867865 783204943 /nfs/dbraw/zinc/20/49/43/783204943.db2.gz QMJXPPZNROADCJ-FCEWJHQRSA-N 1 1 349.475 0.456 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(c3ccc(C#N)nn3)[C@H]2C1 ZINC001044941853 774749572 /nfs/dbraw/zinc/74/95/72/774749572.db2.gz QPTBTDWFYYSTGW-BPUTZDHNSA-N 1 1 340.431 0.870 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044994610 774811154 /nfs/dbraw/zinc/81/11/54/774811154.db2.gz WVNLIEYZBATZAS-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001045058268 774908769 /nfs/dbraw/zinc/90/87/69/774908769.db2.gz BDRZPHMCCREGCF-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001045063618 774919338 /nfs/dbraw/zinc/91/93/38/774919338.db2.gz CXCHJYBBWSVRMY-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001045068215 774926591 /nfs/dbraw/zinc/92/65/91/774926591.db2.gz BHNRYGKCMYPLRP-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001045069719 774930367 /nfs/dbraw/zinc/93/03/67/774930367.db2.gz ZZAGIEYAOKLQNP-GJZGRUSLSA-N 1 1 337.464 0.620 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(c4nccnc4C#N)C[C@H]32)C1 ZINC001040673723 783229111 /nfs/dbraw/zinc/22/91/11/783229111.db2.gz JTLPDWSOHQEBON-IJEWVQPXSA-N 1 1 340.431 0.727 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]2C[NH2+][C@H](C)c2nnnn2C)c1 ZINC001045191708 775111788 /nfs/dbraw/zinc/11/17/88/775111788.db2.gz FPGDBWGQJVIRRC-DOMZBBRYSA-N 1 1 339.403 0.542 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2C#N)C1 ZINC001045430795 775602196 /nfs/dbraw/zinc/60/21/96/775602196.db2.gz ORMSMYQOZNZWOO-UMVBOHGHSA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2C#N)C1 ZINC001045430795 775602200 /nfs/dbraw/zinc/60/22/00/775602200.db2.gz ORMSMYQOZNZWOO-UMVBOHGHSA-N 1 1 344.419 0.518 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001070027364 790376930 /nfs/dbraw/zinc/37/69/30/790376930.db2.gz BBYMSUIQZAHOHP-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001070027364 790376942 /nfs/dbraw/zinc/37/69/42/790376942.db2.gz BBYMSUIQZAHOHP-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001070031281 790392054 /nfs/dbraw/zinc/39/20/54/790392054.db2.gz PRCUEQRMVNIMKN-KBXIAJHMSA-N 1 1 337.399 0.570 20 30 ECEDMO C=CCCC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001070030949 790392924 /nfs/dbraw/zinc/39/29/24/790392924.db2.gz XBQDEPUKIHKIGU-CQSZACIVSA-N 1 1 339.436 0.065 20 30 ECEDMO C=CCCC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001070030949 790392934 /nfs/dbraw/zinc/39/29/34/790392934.db2.gz XBQDEPUKIHKIGU-CQSZACIVSA-N 1 1 339.436 0.065 20 30 ECEDMO C=CCCn1cc(C(=O)NC2(C)CC[NH+](CC(=O)N(C)C)CC2)nn1 ZINC001045580939 775829505 /nfs/dbraw/zinc/82/95/05/775829505.db2.gz XWCUJULWJYWVES-UHFFFAOYSA-N 1 1 348.451 0.527 20 30 ECEDMO C#Cc1ccc(C(=O)NC2(C)CC[NH+](CC(=O)NC3CC3)CC2)cn1 ZINC001045623019 775910491 /nfs/dbraw/zinc/91/04/91/775910491.db2.gz AZSPFSNMUYRFFM-UHFFFAOYSA-N 1 1 340.427 0.926 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001045633363 775935999 /nfs/dbraw/zinc/93/59/99/775935999.db2.gz KVPKAOCGDYIDLT-CQSZACIVSA-N 1 1 343.855 0.957 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCOCC1 ZINC001045733669 776106161 /nfs/dbraw/zinc/10/61/61/776106161.db2.gz NMEMXKAQNAISHZ-ZNMIVQPWSA-N 1 1 334.420 0.070 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCOCC1 ZINC001045733669 776106168 /nfs/dbraw/zinc/10/61/68/776106168.db2.gz NMEMXKAQNAISHZ-ZNMIVQPWSA-N 1 1 334.420 0.070 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCCNC2=O)[nH]1 ZINC001045757232 776146716 /nfs/dbraw/zinc/14/67/16/776146716.db2.gz DQBDNXAKLJPJIG-YCPHGPKFSA-N 1 1 341.415 0.844 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001044322619 776149123 /nfs/dbraw/zinc/14/91/23/776149123.db2.gz KTRPSWHXKQIONS-SFHVURJKSA-N 1 1 342.443 0.922 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001044322619 776149134 /nfs/dbraw/zinc/14/91/34/776149134.db2.gz KTRPSWHXKQIONS-SFHVURJKSA-N 1 1 342.443 0.922 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(CC#Cc3ccccc3)C2)C1 ZINC001044322447 776149545 /nfs/dbraw/zinc/14/95/45/776149545.db2.gz GNQQDYRDHSDIIP-LJQANCHMSA-N 1 1 341.455 0.901 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(CC#Cc3ccccc3)C2)C1 ZINC001044322447 776149556 /nfs/dbraw/zinc/14/95/56/776149556.db2.gz GNQQDYRDHSDIIP-LJQANCHMSA-N 1 1 341.455 0.901 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001044385798 776259630 /nfs/dbraw/zinc/25/96/30/776259630.db2.gz GCBABIYPEGQJOM-ILXRZTDVSA-N 1 1 329.404 0.103 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001044463358 776323633 /nfs/dbraw/zinc/32/36/33/776323633.db2.gz DCRNVHUUJZIDDD-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001044550601 776422816 /nfs/dbraw/zinc/42/28/16/776422816.db2.gz PIZNDPVZHZMEIC-PWSUYJOCSA-N 1 1 328.380 0.193 20 30 ECEDMO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](C)C1 ZINC001044668849 776610037 /nfs/dbraw/zinc/61/00/37/776610037.db2.gz DSGWLDQLGHCIFI-GJZGRUSLSA-N 1 1 332.448 0.977 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]2O)CC[N@H+]1C ZINC001044685319 776634983 /nfs/dbraw/zinc/63/49/83/776634983.db2.gz RRPXFVAKXJSJNQ-RYPCIWMOSA-N 1 1 346.406 0.703 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001079686503 776684344 /nfs/dbraw/zinc/68/43/44/776684344.db2.gz FVJIRUNQIZCCHC-MOPGFXCFSA-N 1 1 349.475 0.859 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079686409 776684705 /nfs/dbraw/zinc/68/47/05/776684705.db2.gz CKPAZWZAYWXBHK-KBXCAEBGSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060134 790476580 /nfs/dbraw/zinc/47/65/80/790476580.db2.gz GBXNAFZAZSKMFU-SJORKVTESA-N 1 1 346.479 0.928 20 30 ECEDMO CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001079733153 776773626 /nfs/dbraw/zinc/77/36/26/776773626.db2.gz WNKSDUWBWRMVFT-MRXNPFEDSA-N 1 1 335.448 0.426 20 30 ECEDMO CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001079733153 776773629 /nfs/dbraw/zinc/77/36/29/776773629.db2.gz WNKSDUWBWRMVFT-MRXNPFEDSA-N 1 1 335.448 0.426 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)Cn1nccn1 ZINC001079774154 776844987 /nfs/dbraw/zinc/84/49/87/776844987.db2.gz RWOSMMOZIWJYDV-MLGOLLRUSA-N 1 1 342.378 0.926 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)Cn1nccn1 ZINC001079774154 776844991 /nfs/dbraw/zinc/84/49/91/776844991.db2.gz RWOSMMOZIWJYDV-MLGOLLRUSA-N 1 1 342.378 0.926 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@@H](n2ccnn2)C1 ZINC001070064564 790487559 /nfs/dbraw/zinc/48/75/59/790487559.db2.gz XUIQEKDFEAVEJK-OLZOCXBDSA-N 1 1 349.345 0.548 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@@H](n2ccnn2)C1 ZINC001070064564 790487563 /nfs/dbraw/zinc/48/75/63/790487563.db2.gz XUIQEKDFEAVEJK-OLZOCXBDSA-N 1 1 349.345 0.548 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC001068532945 790495177 /nfs/dbraw/zinc/49/51/77/790495177.db2.gz ITAXVOWATOGEAF-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](n2ccnn2)C1 ZINC001070067917 790497601 /nfs/dbraw/zinc/49/76/01/790497601.db2.gz WBFHSCBYNAGXTF-KGLIPLIRSA-N 1 1 331.380 0.130 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](n2ccnn2)C1 ZINC001070067917 790497609 /nfs/dbraw/zinc/49/76/09/790497609.db2.gz WBFHSCBYNAGXTF-KGLIPLIRSA-N 1 1 331.380 0.130 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@H]1C ZINC001079878104 777012006 /nfs/dbraw/zinc/01/20/06/777012006.db2.gz GFEWTXMNYHRXKK-KFWWJZLASA-N 1 1 345.447 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@H]1C ZINC001079878104 777012012 /nfs/dbraw/zinc/01/20/12/777012012.db2.gz GFEWTXMNYHRXKK-KFWWJZLASA-N 1 1 345.447 0.666 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070072646 790508815 /nfs/dbraw/zinc/50/88/15/790508815.db2.gz PTERTRIZHJDHGG-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001080023122 777251932 /nfs/dbraw/zinc/25/19/32/777251932.db2.gz AZLCGSHYWDBMBW-DAXOMENPSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001080023122 777251941 /nfs/dbraw/zinc/25/19/41/777251941.db2.gz AZLCGSHYWDBMBW-DAXOMENPSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c(OC)cc[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070078105 790528868 /nfs/dbraw/zinc/52/88/68/790528868.db2.gz VWTLHELDHVPFLJ-NEPJUHHUSA-N 1 1 344.375 0.229 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(OC)cc[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070078105 790528875 /nfs/dbraw/zinc/52/88/75/790528875.db2.gz VWTLHELDHVPFLJ-NEPJUHHUSA-N 1 1 344.375 0.229 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001080197989 777539940 /nfs/dbraw/zinc/53/99/40/777539940.db2.gz UJRYVILVQVMTIK-MCIONIFRSA-N 1 1 329.391 0.412 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080361016 777749003 /nfs/dbraw/zinc/74/90/03/777749003.db2.gz QIJQDKIKQKNRHW-WKPIXPDZSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080361016 777749008 /nfs/dbraw/zinc/74/90/08/777749008.db2.gz QIJQDKIKQKNRHW-WKPIXPDZSA-N 1 1 345.378 0.315 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)c1 ZINC001080408454 777808318 /nfs/dbraw/zinc/80/83/18/777808318.db2.gz HNGDUWMCGAPBDD-MLGOLLRUSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)c1 ZINC001080408454 777808331 /nfs/dbraw/zinc/80/83/31/777808331.db2.gz HNGDUWMCGAPBDD-MLGOLLRUSA-N 1 1 326.400 0.392 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001043206937 777958757 /nfs/dbraw/zinc/95/87/57/777958757.db2.gz GIOQTBKFWFDCQW-AWEZNQCLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](n2ccnn2)C1 ZINC001070093829 790581068 /nfs/dbraw/zinc/58/10/68/790581068.db2.gz JCTRIQSHOFAFNW-CABCVRRESA-N 1 1 342.403 0.058 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](n2ccnn2)C1 ZINC001070093829 790581069 /nfs/dbraw/zinc/58/10/69/790581069.db2.gz JCTRIQSHOFAFNW-CABCVRRESA-N 1 1 342.403 0.058 20 30 ECEDMO CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CN(C(=O)CSCC#N)C1 ZINC001080557813 778022998 /nfs/dbraw/zinc/02/29/98/778022998.db2.gz FGNKBDRECFIAPI-CYBMUJFWSA-N 1 1 338.477 0.644 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1cncc(C#N)n1 ZINC001043244701 778040270 /nfs/dbraw/zinc/04/02/70/778040270.db2.gz VHGQSHZQPAJWLB-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)CC[N@H+]1C ZINC001043271087 778077467 /nfs/dbraw/zinc/07/74/67/778077467.db2.gz BWYRMKFKFCYFCQ-LSDHHAIUSA-N 1 1 349.475 0.456 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096400 790591128 /nfs/dbraw/zinc/59/11/28/790591128.db2.gz XXYGIRXYSHRJIQ-MCIONIFRSA-N 1 1 338.843 0.324 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)nn1 ZINC001080589750 778101797 /nfs/dbraw/zinc/10/17/97/778101797.db2.gz JSSBIWSOPKOCBT-NFAWXSAZSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)nn1 ZINC001080589750 778101800 /nfs/dbraw/zinc/10/18/00/778101800.db2.gz JSSBIWSOPKOCBT-NFAWXSAZSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001043432548 778321428 /nfs/dbraw/zinc/32/14/28/778321428.db2.gz IOHOHOJQLGKSFH-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1Nc1nccnc1C#N ZINC001043517119 778450233 /nfs/dbraw/zinc/45/02/33/778450233.db2.gz KNRQOAYAORBMCY-GZBFAFLISA-N 1 1 328.420 0.949 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001043517665 778450992 /nfs/dbraw/zinc/45/09/92/778450992.db2.gz OEWKIZIRDOLICS-MGPQQGTHSA-N 1 1 328.420 0.371 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001043530006 778477550 /nfs/dbraw/zinc/47/75/50/778477550.db2.gz DHLPVCMUAQVGAF-UHFFFAOYSA-N 1 1 335.448 0.517 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC001070108413 790630433 /nfs/dbraw/zinc/63/04/33/790630433.db2.gz BCFFDCZNBIAKOQ-INIZCTEOSA-N 1 1 349.475 0.912 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001043595487 778563002 /nfs/dbraw/zinc/56/30/02/778563002.db2.gz FVGDWKQVZDVXRF-QHSBEEBCSA-N 1 1 344.419 0.326 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001043595487 778563006 /nfs/dbraw/zinc/56/30/06/778563006.db2.gz FVGDWKQVZDVXRF-QHSBEEBCSA-N 1 1 344.419 0.326 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070110513 790636957 /nfs/dbraw/zinc/63/69/57/790636957.db2.gz UUJWKSXZSRZSRT-YUELXQCFSA-N 1 1 329.408 0.343 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070110513 790636962 /nfs/dbraw/zinc/63/69/62/790636962.db2.gz UUJWKSXZSRZSRT-YUELXQCFSA-N 1 1 329.408 0.343 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001043661387 778682690 /nfs/dbraw/zinc/68/26/90/778682690.db2.gz QYQHGMDDYSCICP-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001043662444 778684427 /nfs/dbraw/zinc/68/44/27/778684427.db2.gz VHTHJFGKYCRHTF-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070112162 790644659 /nfs/dbraw/zinc/64/46/59/790644659.db2.gz OKDPWIOXJZLRTE-UHFFFAOYSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001043680277 778712274 /nfs/dbraw/zinc/71/22/74/778712274.db2.gz PTDVXCMUAZNKSX-GJZGRUSLSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043771783 778845931 /nfs/dbraw/zinc/84/59/31/778845931.db2.gz YYBRHTHKLIXFRD-PBHICJAKSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(C)on2)C[C@@H]1n1ccnn1 ZINC001070134138 790713176 /nfs/dbraw/zinc/71/31/76/790713176.db2.gz FHXIIWMOLKHNHI-OLZOCXBDSA-N 1 1 336.783 0.982 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001068622858 790739226 /nfs/dbraw/zinc/73/92/26/790739226.db2.gz MMOXBEQJZDAZSU-GXTWGEPZSA-N 1 1 345.403 0.227 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]21 ZINC001042285406 779988307 /nfs/dbraw/zinc/98/83/07/779988307.db2.gz NTRGAKGSOAXMRW-TZMCWYRMSA-N 1 1 330.388 0.295 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccnc4nc(C)nn43)C[C@@H]21 ZINC001042314302 780057517 /nfs/dbraw/zinc/05/75/17/780057517.db2.gz ZXIUYBNRMOGHCH-HOCLYGCPSA-N 1 1 338.415 0.992 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@H]21 ZINC001042345754 780109622 /nfs/dbraw/zinc/10/96/22/780109622.db2.gz NFETYKSCMZQETG-GDBMZVCRSA-N 1 1 332.448 0.723 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@@H]21 ZINC001042358058 780137865 /nfs/dbraw/zinc/13/78/65/780137865.db2.gz NOCJWOONYNRBOI-GJZGRUSLSA-N 1 1 338.415 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3nc(C4CC4)nn3C)C[C@@H]21 ZINC001042362935 780147939 /nfs/dbraw/zinc/14/79/39/780147939.db2.gz NGXIVSYJFWTOBT-HIFRSBDPSA-N 1 1 327.432 0.791 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@H]21 ZINC001042363826 780149194 /nfs/dbraw/zinc/14/91/94/780149194.db2.gz YOCRXCNBNNVPNW-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1C ZINC001042620970 780541291 /nfs/dbraw/zinc/54/12/91/780541291.db2.gz BAHJNJMOGDMZNG-OIISXLGYSA-N 1 1 337.427 0.992 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1C ZINC001042620970 780541299 /nfs/dbraw/zinc/54/12/99/780541299.db2.gz BAHJNJMOGDMZNG-OIISXLGYSA-N 1 1 337.427 0.992 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CCC)CO2 ZINC001068658784 790824712 /nfs/dbraw/zinc/82/47/12/790824712.db2.gz YWQMCBZGNTXPGR-GJZGRUSLSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CCC)CO2 ZINC001068658784 790824721 /nfs/dbraw/zinc/82/47/21/790824721.db2.gz YWQMCBZGNTXPGR-GJZGRUSLSA-N 1 1 333.432 0.370 20 30 ECEDMO C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001079164506 780845714 /nfs/dbraw/zinc/84/57/14/780845714.db2.gz HDTZGIKTZLMFBZ-CQSZACIVSA-N 1 1 346.435 0.614 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001042834046 780911538 /nfs/dbraw/zinc/91/15/38/780911538.db2.gz IFDNBYUJDIXHCF-HZPDHXFCSA-N 1 1 340.387 0.478 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001042836894 780917366 /nfs/dbraw/zinc/91/73/66/780917366.db2.gz XYNSHWYKBJFWCF-RBSFLKMASA-N 1 1 329.404 0.225 20 30 ECEDMO CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042861029 780955475 /nfs/dbraw/zinc/95/54/75/780955475.db2.gz MWNCRWMYKVUFKY-BFHYXJOUSA-N 1 1 344.419 0.010 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2noc(CC)n2)C1 ZINC001042961067 781103987 /nfs/dbraw/zinc/10/39/87/781103987.db2.gz XAAFZECXGJNLJF-AWEZNQCLSA-N 1 1 331.420 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2noc(CC)n2)C1 ZINC001042961067 781103993 /nfs/dbraw/zinc/10/39/93/781103993.db2.gz XAAFZECXGJNLJF-AWEZNQCLSA-N 1 1 331.420 0.372 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001043060055 781256530 /nfs/dbraw/zinc/25/65/30/781256530.db2.gz OSBLKKFXDVQJBM-AWEZNQCLSA-N 1 1 337.464 0.620 20 30 ECEDMO C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079589327 781291460 /nfs/dbraw/zinc/29/14/60/781291460.db2.gz DIBASTGCUMTNNQ-MLGOLLRUSA-N 1 1 326.404 0.913 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079598385 781304339 /nfs/dbraw/zinc/30/43/39/781304339.db2.gz AXCXHBHULUZNBP-DAXOMENPSA-N 1 1 348.472 0.887 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079598385 781304345 /nfs/dbraw/zinc/30/43/45/781304345.db2.gz AXCXHBHULUZNBP-DAXOMENPSA-N 1 1 348.472 0.887 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)c1 ZINC001077648879 781422818 /nfs/dbraw/zinc/42/28/18/781422818.db2.gz WOIGTMFWUUMHIC-IAGOWNOFSA-N 1 1 329.400 0.407 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)c1 ZINC001077648879 781422823 /nfs/dbraw/zinc/42/28/23/781422823.db2.gz WOIGTMFWUUMHIC-IAGOWNOFSA-N 1 1 329.400 0.407 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041423640 781476860 /nfs/dbraw/zinc/47/68/60/781476860.db2.gz VIXIPHXQIHAQQV-GUYCJALGSA-N 1 1 329.404 0.104 20 30 ECEDMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c(C#N)cn1 ZINC001041430625 781492669 /nfs/dbraw/zinc/49/26/69/781492669.db2.gz UXDKXPNVEOQAQN-BFYDXBDKSA-N 1 1 343.431 0.412 20 30 ECEDMO C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001077685204 781510651 /nfs/dbraw/zinc/51/06/51/781510651.db2.gz DMEYVBCZISGDAC-QZTJIDSGSA-N 1 1 329.444 0.589 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(=O)n(CCOC)n3)C2)C1 ZINC001041455754 781551904 /nfs/dbraw/zinc/55/19/04/781551904.db2.gz SVMSFPSDLHMHKJ-GOSISDBHSA-N 1 1 346.431 0.614 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)cc1F ZINC001041616681 781861855 /nfs/dbraw/zinc/86/18/55/781861855.db2.gz MVGPYVGYKYYGFJ-QGZVFWFLSA-N 1 1 330.363 0.607 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCCO1 ZINC001039908369 783259286 /nfs/dbraw/zinc/25/92/86/783259286.db2.gz XVSNPGBJKMYXQQ-CABCVRRESA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(c3cncc(C#N)n3)CCCO2)C1 ZINC001039915037 783273941 /nfs/dbraw/zinc/27/39/41/783273941.db2.gz IHYNGVAHRYUFTC-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001040730501 783343204 /nfs/dbraw/zinc/34/32/04/783343204.db2.gz YGYPPSSVFFYABW-SFHVURJKSA-N 1 1 337.464 0.907 20 30 ECEDMO CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)CC1 ZINC001040745478 783362299 /nfs/dbraw/zinc/36/22/99/783362299.db2.gz MBAHSBZGLBZDGP-AWEZNQCLSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001040095775 783531769 /nfs/dbraw/zinc/53/17/69/783531769.db2.gz KLIGXQTVXZEBRH-LPHOPBHVSA-N 1 1 349.475 0.744 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC(C)C)C1 ZINC001040097080 783532405 /nfs/dbraw/zinc/53/24/05/783532405.db2.gz VMJAZTGGPNGCAU-APWZRJJASA-N 1 1 349.475 0.600 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001040105857 783558698 /nfs/dbraw/zinc/55/86/98/783558698.db2.gz AQPOIZGPMYECFS-LPHOPBHVSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001040850493 783559476 /nfs/dbraw/zinc/55/94/76/783559476.db2.gz NYJBNSHBPHBJGZ-SFHVURJKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@@H]1n1ccnn1 ZINC001070194864 783633628 /nfs/dbraw/zinc/63/36/28/783633628.db2.gz QJXOCYZJYOMLPD-MAZHCROVSA-N 1 1 341.419 0.649 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCOCC1 ZINC001070232377 783707101 /nfs/dbraw/zinc/70/71/01/783707101.db2.gz IKGZBBJENIXRFB-PBHICJAKSA-N 1 1 348.447 0.414 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070250958 783740734 /nfs/dbraw/zinc/74/07/34/783740734.db2.gz YPGQJXRMGSZOHS-CABCVRRESA-N 1 1 329.408 0.795 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2cc(C#N)ccc2F)C1 ZINC001038135752 783901473 /nfs/dbraw/zinc/90/14/73/783901473.db2.gz JMYUFLUCOCMLNK-RDJZCZTQSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2cc(C#N)ccc2F)C1 ZINC001038135752 783901475 /nfs/dbraw/zinc/90/14/75/783901475.db2.gz JMYUFLUCOCMLNK-RDJZCZTQSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2cccc(C#N)c2)C1 ZINC001038138643 783907326 /nfs/dbraw/zinc/90/73/26/783907326.db2.gz XHVYMASHVHJMMU-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2cccc(C#N)c2)C1 ZINC001038138643 783907332 /nfs/dbraw/zinc/90/73/32/783907332.db2.gz XHVYMASHVHJMMU-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001070385472 783929366 /nfs/dbraw/zinc/92/93/66/783929366.db2.gz VVTDLIHUXYZJLD-LSDHHAIUSA-N 1 1 342.399 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001070385472 783929372 /nfs/dbraw/zinc/92/93/72/783929372.db2.gz VVTDLIHUXYZJLD-LSDHHAIUSA-N 1 1 342.399 0.063 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCO2)C1 ZINC001070397757 783962933 /nfs/dbraw/zinc/96/29/33/783962933.db2.gz IWFGWVCGKCWOON-ZFWWWQNUSA-N 1 1 332.404 0.254 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnnn2C)C1 ZINC001070407281 783990468 /nfs/dbraw/zinc/99/04/68/783990468.db2.gz BDLODCFNHUDJGK-LBPRGKRZSA-N 1 1 327.392 0.281 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001070409465 783996606 /nfs/dbraw/zinc/99/66/06/783996606.db2.gz FGVRJYSHHYLCKN-UMVBOHGHSA-N 1 1 343.431 0.363 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c(C)nnn2CC)C1 ZINC001070411316 784000886 /nfs/dbraw/zinc/00/08/86/784000886.db2.gz KPLPLEWRKAZARU-ZDUSSCGKSA-N 1 1 341.419 0.682 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001070412548 784004600 /nfs/dbraw/zinc/00/46/00/784004600.db2.gz CWDYEWOJQNSUAC-HIFRSBDPSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001070412845 784006867 /nfs/dbraw/zinc/00/68/67/784006867.db2.gz LUQPWVDPCMQBSM-BPLDGKMQSA-N 1 1 338.415 0.975 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001070412845 784006875 /nfs/dbraw/zinc/00/68/75/784006875.db2.gz LUQPWVDPCMQBSM-BPLDGKMQSA-N 1 1 338.415 0.975 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001070412845 784006884 /nfs/dbraw/zinc/00/68/84/784006884.db2.gz LUQPWVDPCMQBSM-BPLDGKMQSA-N 1 1 338.415 0.975 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001070412794 784007631 /nfs/dbraw/zinc/00/76/31/784007631.db2.gz KLSIWJMQTAXRKP-UKRRQHHQSA-N 1 1 343.431 0.507 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001070419563 784025012 /nfs/dbraw/zinc/02/50/12/784025012.db2.gz BZXXVCHOOAFRQK-DGCLKSJQSA-N 1 1 332.408 0.025 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001070420306 784029282 /nfs/dbraw/zinc/02/92/82/784029282.db2.gz VTJXCVMDAGTGHU-UKRRQHHQSA-N 1 1 345.447 0.918 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001070430935 784052228 /nfs/dbraw/zinc/05/22/28/784052228.db2.gz HQHBBILOXSEVRH-LLVKDONJSA-N 1 1 345.403 0.054 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001070905541 784087140 /nfs/dbraw/zinc/08/71/40/784087140.db2.gz BKNUPNIGESBOLJ-YUELXQCFSA-N 1 1 345.403 0.705 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001070905541 784087149 /nfs/dbraw/zinc/08/71/49/784087149.db2.gz BKNUPNIGESBOLJ-YUELXQCFSA-N 1 1 345.403 0.705 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001070905541 784087155 /nfs/dbraw/zinc/08/71/55/784087155.db2.gz BKNUPNIGESBOLJ-YUELXQCFSA-N 1 1 345.403 0.705 20 30 ECEDMO COCC[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070444144 784093119 /nfs/dbraw/zinc/09/31/19/784093119.db2.gz IQRXVTRCTLKYHQ-HNNXBMFYSA-N 1 1 343.431 0.401 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)[C@H](O)C(C)C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444938 784095981 /nfs/dbraw/zinc/09/59/81/784095981.db2.gz XTZSJZJGLJVKIQ-HUUCEWRRSA-N 1 1 347.463 0.934 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CN(C(=O)c1cnco1)C[C@H]2c1nnc(C)[nH]1 ZINC001070447957 784103620 /nfs/dbraw/zinc/10/36/20/784103620.db2.gz SHLONRXBBCIMKS-ZDUSSCGKSA-N 1 1 340.387 0.666 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1csnn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448042 784104018 /nfs/dbraw/zinc/10/40/18/784104018.db2.gz UGZDMRGWKMPOFY-LLVKDONJSA-N 1 1 345.432 0.692 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001070915416 784107028 /nfs/dbraw/zinc/10/70/28/784107028.db2.gz YJMPKCQMVQFWHT-BNOWGMLFSA-N 1 1 346.391 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](OC)C(C)C)C1 ZINC001070921690 784118337 /nfs/dbraw/zinc/11/83/37/784118337.db2.gz JASZJGCRSZQPAY-IXDOHACOSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](OC)C(C)C)C1 ZINC001070921690 784118345 /nfs/dbraw/zinc/11/83/45/784118345.db2.gz JASZJGCRSZQPAY-IXDOHACOSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](C)OCC)C1 ZINC001070921713 784119188 /nfs/dbraw/zinc/11/91/88/784119188.db2.gz KGIURIAAUCACSI-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](C)OCC)C1 ZINC001070921713 784119196 /nfs/dbraw/zinc/11/91/96/784119196.db2.gz KGIURIAAUCACSI-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001070953932 784212108 /nfs/dbraw/zinc/21/21/08/784212108.db2.gz DEMAVTCCLDMXDY-UHFFFAOYSA-N 1 1 332.404 0.627 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001070953932 784212110 /nfs/dbraw/zinc/21/21/10/784212110.db2.gz DEMAVTCCLDMXDY-UHFFFAOYSA-N 1 1 332.404 0.627 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)n2cncn2)CC1 ZINC001070957481 784224618 /nfs/dbraw/zinc/22/46/18/784224618.db2.gz GWAXUJNJBXRHPY-OAHLLOKOSA-N 1 1 348.451 0.456 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC001070968275 784261141 /nfs/dbraw/zinc/26/11/41/784261141.db2.gz WZAHHSVFTQHIMD-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC001070968275 784261142 /nfs/dbraw/zinc/26/11/42/784261142.db2.gz WZAHHSVFTQHIMD-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070553790 784264271 /nfs/dbraw/zinc/26/42/71/784264271.db2.gz GNZSNDPDSYKTRP-YQQAZPJKSA-N 1 1 329.448 0.279 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070553790 784264275 /nfs/dbraw/zinc/26/42/75/784264275.db2.gz GNZSNDPDSYKTRP-YQQAZPJKSA-N 1 1 329.448 0.279 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC001070998734 784365340 /nfs/dbraw/zinc/36/53/40/784365340.db2.gz QFFRGEDWBPMNBR-UHFFFAOYSA-N 1 1 346.431 0.936 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001071000136 784371479 /nfs/dbraw/zinc/37/14/79/784371479.db2.gz PPQUCARKFAFMTO-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO C=CCN1CCOC[C@@H]1c1nc(CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001070589777 784382465 /nfs/dbraw/zinc/38/24/65/784382465.db2.gz LPYPXDGJHSOOHI-CQSZACIVSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCN1CCOC[C@@H]1c1nnc(CNC(=O)C2CC[NH+](C)CC2)[nH]1 ZINC001070589777 784382472 /nfs/dbraw/zinc/38/24/72/784382472.db2.gz LPYPXDGJHSOOHI-CQSZACIVSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001070593349 784400661 /nfs/dbraw/zinc/40/06/61/784400661.db2.gz ZLRVXHCWRPQRPR-KBPBESRZSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070593349 784400668 /nfs/dbraw/zinc/40/06/68/784400668.db2.gz ZLRVXHCWRPQRPR-KBPBESRZSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070593349 784400671 /nfs/dbraw/zinc/40/06/71/784400671.db2.gz ZLRVXHCWRPQRPR-KBPBESRZSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070593349 784400678 /nfs/dbraw/zinc/40/06/78/784400678.db2.gz ZLRVXHCWRPQRPR-KBPBESRZSA-N 1 1 348.451 0.322 20 30 ECEDMO C=CCCN1CCOC[C@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001070593349 784400681 /nfs/dbraw/zinc/40/06/81/784400681.db2.gz ZLRVXHCWRPQRPR-KBPBESRZSA-N 1 1 348.451 0.322 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cc(C)[nH]n2)n1 ZINC001070595480 784403918 /nfs/dbraw/zinc/40/39/18/784403918.db2.gz BXDADWGBNNYCNL-KBPBESRZSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCOC2)n1 ZINC001070595509 784404271 /nfs/dbraw/zinc/40/42/71/784404271.db2.gz DLDCEKZNRIEYPB-ILXRZTDVSA-N 1 1 332.404 0.581 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC001071011472 784406241 /nfs/dbraw/zinc/40/62/41/784406241.db2.gz GSFIHMLKOXOXJL-SFHVURJKSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC001071011472 784406249 /nfs/dbraw/zinc/40/62/49/784406249.db2.gz GSFIHMLKOXOXJL-SFHVURJKSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2n[nH]cc2C)n1 ZINC001070602119 784419178 /nfs/dbraw/zinc/41/91/78/784419178.db2.gz JTRIHJQGMYUDDP-UONOGXRCSA-N 1 1 342.403 0.889 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001071020497 784438419 /nfs/dbraw/zinc/43/84/19/784438419.db2.gz GTMBXQBWJIVWJA-UHFFFAOYSA-N 1 1 333.436 0.418 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001071021820 784444186 /nfs/dbraw/zinc/44/41/86/784444186.db2.gz HWXDEYKSDNBEKX-GASCZTMLSA-N 1 1 335.452 0.033 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C2CCOCC2)CC1 ZINC001071026692 784457069 /nfs/dbraw/zinc/45/70/69/784457069.db2.gz GIXJXCPEAMYLSI-MRXNPFEDSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C2CCOCC2)CC1 ZINC001071026692 784457074 /nfs/dbraw/zinc/45/70/74/784457074.db2.gz GIXJXCPEAMYLSI-MRXNPFEDSA-N 1 1 349.475 0.723 20 30 ECEDMO O=C(C#CC1CC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001071055414 784492726 /nfs/dbraw/zinc/49/27/26/784492726.db2.gz BZRQHJHIVCAULW-AEFFLSMTSA-N 1 1 344.415 0.969 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001070673035 784530671 /nfs/dbraw/zinc/53/06/71/784530671.db2.gz VXQYERCVCWGBDW-PBHICJAKSA-N 1 1 334.420 0.626 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001070708909 784576969 /nfs/dbraw/zinc/57/69/69/784576969.db2.gz JNFMPHJIONDUEL-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001070708909 784576981 /nfs/dbraw/zinc/57/69/81/784576981.db2.gz JNFMPHJIONDUEL-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)C[C@@H](C)O2 ZINC001071136686 784581651 /nfs/dbraw/zinc/58/16/51/784581651.db2.gz NSAUYORJCQPIAH-NVXWUHKLSA-N 1 1 331.420 0.383 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)C[C@@H](C)O2 ZINC001071136190 784582724 /nfs/dbraw/zinc/58/27/24/784582724.db2.gz FZXZCKXLSVFVSO-NVXWUHKLSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cncn1C ZINC001070715693 784587750 /nfs/dbraw/zinc/58/77/50/784587750.db2.gz QPWNGRKRJBSRLI-CHWSQXEVSA-N 1 1 349.826 0.348 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1 ZINC001070718827 784592894 /nfs/dbraw/zinc/59/28/94/784592894.db2.gz KMTLIRJGIOTQRT-ZIAGYGMSSA-N 1 1 327.392 0.033 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cc(C)n[nH]1)C[C@H](C)O2 ZINC001071154971 784618113 /nfs/dbraw/zinc/61/81/13/784618113.db2.gz SLMFNLRNBFJNSI-YJBOKZPZSA-N 1 1 330.432 0.976 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCOCC1)C[C@@H](C)O2 ZINC001071157269 784622420 /nfs/dbraw/zinc/62/24/20/784622420.db2.gz VCGKLQSMKJERKP-SJLPKXTDSA-N 1 1 335.448 0.034 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@H](C)O2 ZINC001071160129 784628418 /nfs/dbraw/zinc/62/84/18/784628418.db2.gz XMFXLJCYONMRAO-KBXCAEBGSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@H](C)O2 ZINC001071160131 784629412 /nfs/dbraw/zinc/62/94/12/784629412.db2.gz XMFXLJCYONMRAO-KSSFIOAISA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccnn1C)C[C@H](C)O2 ZINC001071162409 784632949 /nfs/dbraw/zinc/63/29/49/784632949.db2.gz TXEWPWDTIWTCTG-YJBOKZPZSA-N 1 1 330.432 0.678 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@H+](CC(=O)N3CCC3)C2)O1 ZINC001071164394 784637578 /nfs/dbraw/zinc/63/75/78/784637578.db2.gz MJYITWOSBFNIHI-DNVCBOLYSA-N 1 1 345.443 0.324 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@@H+](CC(=O)N3CCC3)C2)O1 ZINC001071164394 784637582 /nfs/dbraw/zinc/63/75/82/784637582.db2.gz MJYITWOSBFNIHI-DNVCBOLYSA-N 1 1 345.443 0.324 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1CS(=O)(=O)C1)C[C@@H](C)O2 ZINC001071168855 784646348 /nfs/dbraw/zinc/64/63/48/784646348.db2.gz IQKVGDIDWJGWSY-CJNGLKHVSA-N 1 1 342.461 0.299 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CS(=O)(=O)C1)C[C@@H](C)O2 ZINC001071168855 784646349 /nfs/dbraw/zinc/64/63/49/784646349.db2.gz IQKVGDIDWJGWSY-CJNGLKHVSA-N 1 1 342.461 0.299 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@H](C)O2 ZINC001071169365 784647820 /nfs/dbraw/zinc/64/78/20/784647820.db2.gz PRRZWTPLIGGPIY-SUMWQHHRSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)C[C@@H](C)O2 ZINC001071171289 784652545 /nfs/dbraw/zinc/65/25/45/784652545.db2.gz KRZOLEIITOWURG-DYVFJYSZSA-N 1 1 346.435 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)C[C@@H](C)O2 ZINC001071171289 784652548 /nfs/dbraw/zinc/65/25/48/784652548.db2.gz KRZOLEIITOWURG-DYVFJYSZSA-N 1 1 346.435 0.367 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070758174 784659498 /nfs/dbraw/zinc/65/94/98/784659498.db2.gz RBZCBQBSERJWMY-DZGCQCFKSA-N 1 1 332.404 0.337 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cc(OC)no1)C[C@H](C)O2 ZINC001071173803 784659902 /nfs/dbraw/zinc/65/99/02/784659902.db2.gz NVURPFOCGHJEOE-KBXCAEBGSA-N 1 1 347.415 0.941 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nnn1CC)C[C@H](C)O2 ZINC001071175472 784664090 /nfs/dbraw/zinc/66/40/90/784664090.db2.gz FDIUNNGVCKHTEC-KSSFIOAISA-N 1 1 345.447 0.935 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001071175531 784664277 /nfs/dbraw/zinc/66/42/77/784664277.db2.gz FZHIUXIGLVKMAH-MAUKXSAKSA-N 1 1 333.432 0.972 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3n1CCOC3)C[C@H](C)O2 ZINC001071176234 784665518 /nfs/dbraw/zinc/66/55/18/784665518.db2.gz SVNICVFUUICNOS-KBXCAEBGSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)C[C@H](C)O2 ZINC001071181705 784681782 /nfs/dbraw/zinc/68/17/82/784681782.db2.gz ZTDUIELKCZFGKS-KPZWWZAWSA-N 1 1 346.431 0.878 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCNC1=O)C[C@H](C)O2 ZINC001071183287 784682944 /nfs/dbraw/zinc/68/29/44/784682944.db2.gz LWQLMEJXJNHAMZ-YJBOKZPZSA-N 1 1 348.447 0.117 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@@H](C)O2 ZINC001071183155 784683282 /nfs/dbraw/zinc/68/32/82/784683282.db2.gz KCDAEOCWKGCFGP-RDTXWAMCSA-N 1 1 329.400 0.324 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@H](C)O2 ZINC001071183678 784686046 /nfs/dbraw/zinc/68/60/46/784686046.db2.gz RMPLIDJRLJQWJQ-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@H](C)O2 ZINC001071184216 784686704 /nfs/dbraw/zinc/68/67/04/784686704.db2.gz ZVNUOKZZENBZHR-KBXCAEBGSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071190328 784698013 /nfs/dbraw/zinc/69/80/13/784698013.db2.gz XJWYFTSYRRPQLO-DNVCBOLYSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3nnnn3c1)C[C@@H](C)O2 ZINC001071193199 784706656 /nfs/dbraw/zinc/70/66/56/784706656.db2.gz XZWTUBUOHCSZKJ-DYVFJYSZSA-N 1 1 340.387 0.063 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccnc1)C[C@H](C)O2 ZINC001071194440 784709090 /nfs/dbraw/zinc/70/90/90/784709090.db2.gz JGZZDCLEUPPQGC-WMZOPIPTSA-N 1 1 330.432 0.988 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@H](C)O2 ZINC001071202753 784726168 /nfs/dbraw/zinc/72/61/68/784726168.db2.gz ZJBJWJAXCHDBEU-SCLBCKFNSA-N 1 1 344.415 0.819 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@H](C)O2 ZINC001071203829 784728197 /nfs/dbraw/zinc/72/81/97/784728197.db2.gz ICJVNISYKPGCEV-YJBOKZPZSA-N 1 1 346.431 0.514 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@@H](C)O2 ZINC001071226067 784782037 /nfs/dbraw/zinc/78/20/37/784782037.db2.gz USTVYZFGHRBMBO-ACJLOTCBSA-N 1 1 346.431 0.995 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cnccc1=O)C[C@@H](C)O2 ZINC001071225789 784782956 /nfs/dbraw/zinc/78/29/56/784782956.db2.gz PSXGJFZUFZEELI-QAPCUYQASA-N 1 1 346.431 0.511 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@H](C)O2 ZINC001071227932 784786364 /nfs/dbraw/zinc/78/63/64/784786364.db2.gz MKBWTRGIOHUFHQ-GUYCJALGSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@H](C)O2 ZINC001071227932 784786375 /nfs/dbraw/zinc/78/63/75/784786375.db2.gz MKBWTRGIOHUFHQ-GUYCJALGSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(OC)cc[nH]c1=O)C[C@H](C)O2 ZINC001071227945 784788357 /nfs/dbraw/zinc/78/83/57/784788357.db2.gz MODROXMZZXDTJU-UGSOOPFHSA-N 1 1 345.399 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nn(C)c1F)C[C@H](C)O2 ZINC001071234259 784800343 /nfs/dbraw/zinc/80/03/43/784800343.db2.gz VYAKBYZEWWLDML-YVEFUNNKSA-N 1 1 334.395 0.806 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nn(C)c1F)C[C@H](C)O2 ZINC001071234259 784800348 /nfs/dbraw/zinc/80/03/48/784800348.db2.gz VYAKBYZEWWLDML-YVEFUNNKSA-N 1 1 334.395 0.806 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@H](C)O2 ZINC001071237762 784806177 /nfs/dbraw/zinc/80/61/77/784806177.db2.gz CIQWGNADMFWPEM-KSSFIOAISA-N 1 1 346.431 0.662 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001070900625 784807664 /nfs/dbraw/zinc/80/76/64/784807664.db2.gz SFKKCAMORIJKQM-UTUOFQBUSA-N 1 1 329.347 0.934 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nccnc1C(N)=O)C[C@H](C)O2 ZINC001071238937 784808569 /nfs/dbraw/zinc/80/85/69/784808569.db2.gz UEMKFRPFJKCTHG-SJCJKPOMSA-N 1 1 345.403 0.067 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@H](C)O2 ZINC001071241074 784815099 /nfs/dbraw/zinc/81/50/99/784815099.db2.gz OQADCHNSOKEETM-MAUKXSAKSA-N 1 1 329.400 0.173 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@H](C)O2 ZINC001071241179 784815118 /nfs/dbraw/zinc/81/51/18/784815118.db2.gz PQFZKYZHBPHZOJ-SCLBCKFNSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@@H](C)O2 ZINC001071241073 784815393 /nfs/dbraw/zinc/81/53/93/784815393.db2.gz OQADCHNSOKEETM-CRAIPNDOSA-N 1 1 329.400 0.173 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(C(N)=O)n1)C[C@H](C)O2 ZINC001071246051 784827054 /nfs/dbraw/zinc/82/70/54/784827054.db2.gz NVMDLYOMUNTJSS-UGSOOPFHSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(C(N)=O)n1)C[C@H](C)O2 ZINC001071246051 784827055 /nfs/dbraw/zinc/82/70/55/784827055.db2.gz NVMDLYOMUNTJSS-UGSOOPFHSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)nc1)C[C@H](C)O2 ZINC001071248743 784832452 /nfs/dbraw/zinc/83/24/52/784832452.db2.gz RSCSZXRMNLNMQY-UGSOOPFHSA-N 1 1 342.399 0.119 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ncc[nH]3)C2)C(=O)C1 ZINC001071262180 784874402 /nfs/dbraw/zinc/87/44/02/784874402.db2.gz DZXSHPQAHOEKPA-CQSZACIVSA-N 1 1 331.420 0.735 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ncc[nH]3)C2)C(=O)C1 ZINC001071262180 784874405 /nfs/dbraw/zinc/87/44/05/784874405.db2.gz DZXSHPQAHOEKPA-CQSZACIVSA-N 1 1 331.420 0.735 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3n[nH]cc3F)C2)C(=O)C1 ZINC001071272596 784907804 /nfs/dbraw/zinc/90/78/04/784907804.db2.gz RZAQHXPYPBAESY-CYBMUJFWSA-N 1 1 349.410 0.874 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3n[nH]cc3F)C2)C(=O)C1 ZINC001071272596 784907811 /nfs/dbraw/zinc/90/78/11/784907811.db2.gz RZAQHXPYPBAESY-CYBMUJFWSA-N 1 1 349.410 0.874 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1Cc1ccccc1C#N ZINC001071339791 784976277 /nfs/dbraw/zinc/97/62/77/784976277.db2.gz FDLIQKQCCZHIPT-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1ccccc1C#N ZINC001071339791 784976283 /nfs/dbraw/zinc/97/62/83/784976283.db2.gz FDLIQKQCCZHIPT-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071340548 784979514 /nfs/dbraw/zinc/97/95/14/784979514.db2.gz QICSMDGFUHXNPG-VXGBXAGGSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071340548 784979518 /nfs/dbraw/zinc/97/95/18/784979518.db2.gz QICSMDGFUHXNPG-VXGBXAGGSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CCN1CCNC1=O ZINC001071414654 785062869 /nfs/dbraw/zinc/06/28/69/785062869.db2.gz VFDWGQMSBULGBO-JSGCOSHPSA-N 1 1 344.419 0.494 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CCN1CCNC1=O ZINC001071431077 785078234 /nfs/dbraw/zinc/07/82/34/785078234.db2.gz KHZKEJMGSQTRQW-OCCSQVGLSA-N 1 1 344.419 0.494 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1C ZINC001071814558 785147354 /nfs/dbraw/zinc/14/73/54/785147354.db2.gz JUHLBYOKRZXWOR-WDEREUQCSA-N 1 1 341.437 0.216 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C ZINC001071519406 785240050 /nfs/dbraw/zinc/24/00/50/785240050.db2.gz XGNCBFFQUUDZOS-QWHCGFSZSA-N 1 1 334.424 0.312 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001071875305 785253465 /nfs/dbraw/zinc/25/34/65/785253465.db2.gz UCHNUEPTKNCHHB-SWLSCSKDSA-N 1 1 331.420 0.805 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001071875777 785255466 /nfs/dbraw/zinc/25/54/66/785255466.db2.gz YLKVKSXHZYBDAC-SWLSCSKDSA-N 1 1 331.420 0.803 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001071879942 785263645 /nfs/dbraw/zinc/26/36/45/785263645.db2.gz MNZQCAAVWBYXGW-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001071879942 785263648 /nfs/dbraw/zinc/26/36/48/785263648.db2.gz MNZQCAAVWBYXGW-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001068764386 791098774 /nfs/dbraw/zinc/09/87/74/791098774.db2.gz POQYJEXBLYVOJM-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC[C@H]1C ZINC001071930268 785354714 /nfs/dbraw/zinc/35/47/14/785354714.db2.gz CIHFMYHQGSJPAB-GDBMZVCRSA-N 1 1 330.432 0.853 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001068767252 791104254 /nfs/dbraw/zinc/10/42/54/791104254.db2.gz OXYJNRWQRHJTIQ-HZPDHXFCSA-N 1 1 347.459 0.760 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071658459 785464541 /nfs/dbraw/zinc/46/45/41/785464541.db2.gz NLSHCDTVMPPZGJ-CHWSQXEVSA-N 1 1 326.466 0.546 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC001072071594 785619554 /nfs/dbraw/zinc/61/95/54/785619554.db2.gz ZNWBJWRJHJKTNQ-LSDHHAIUSA-N 1 1 343.493 0.262 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC001072071594 785619557 /nfs/dbraw/zinc/61/95/57/785619557.db2.gz ZNWBJWRJHJKTNQ-LSDHHAIUSA-N 1 1 343.493 0.262 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001071746539 785629614 /nfs/dbraw/zinc/62/96/14/785629614.db2.gz YTKQBEIFEHUAFP-DOMZBBRYSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001071746539 785629618 /nfs/dbraw/zinc/62/96/18/785629618.db2.gz YTKQBEIFEHUAFP-DOMZBBRYSA-N 1 1 339.403 0.865 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001072139493 785733901 /nfs/dbraw/zinc/73/39/01/785733901.db2.gz UGWLVTXDSYAOGI-DZGCQCFKSA-N 1 1 334.420 0.747 20 30 ECEDMO C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072239946 785875488 /nfs/dbraw/zinc/87/54/88/785875488.db2.gz ZNTMDHWKDCJIQM-DGCLKSJQSA-N 1 1 342.407 0.298 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001072393457 786126579 /nfs/dbraw/zinc/12/65/79/786126579.db2.gz OCJNIRPULAQFEO-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001072400924 786138223 /nfs/dbraw/zinc/13/82/23/786138223.db2.gz HEWJHJAKTVDCPF-ZFWWWQNUSA-N 1 1 332.404 0.195 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072451742 786203257 /nfs/dbraw/zinc/20/32/57/786203257.db2.gz RLVSGLOBEMYBCL-UHFFFAOYSA-N 1 1 337.387 0.279 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072451742 786203262 /nfs/dbraw/zinc/20/32/62/786203262.db2.gz RLVSGLOBEMYBCL-UHFFFAOYSA-N 1 1 337.387 0.279 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C2)cn1 ZINC001072467381 786224938 /nfs/dbraw/zinc/22/49/38/786224938.db2.gz GZBOWUDYMWWMJG-RHSMWYFYSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C)nn1 ZINC001072481592 786256235 /nfs/dbraw/zinc/25/62/35/786256235.db2.gz SPSFYEZLKCZHHT-KGLIPLIRSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CCOC4)C3)C2)C1=O ZINC001072532316 786335241 /nfs/dbraw/zinc/33/52/41/786335241.db2.gz GNBFWNDZLWNFPZ-HUUCEWRRSA-N 1 1 333.432 0.344 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CCCOC4)C3)C2)C1=O ZINC001072539597 786341930 /nfs/dbraw/zinc/34/19/30/786341930.db2.gz XGUITKILFMHMOS-HOTGVXAUSA-N 1 1 347.459 0.734 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001074211724 786444756 /nfs/dbraw/zinc/44/47/56/786444756.db2.gz DFWHJLHFWYCGJM-KGLIPLIRSA-N 1 1 335.408 0.252 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001074211724 786444759 /nfs/dbraw/zinc/44/47/59/786444759.db2.gz DFWHJLHFWYCGJM-KGLIPLIRSA-N 1 1 335.408 0.252 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccn4nnnc34)C[C@H]21 ZINC001074251763 786520137 /nfs/dbraw/zinc/52/01/37/786520137.db2.gz CCRLDKUMGGIHPJ-CABCVRRESA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccn4nnnc34)C[C@H]21 ZINC001074251763 786520140 /nfs/dbraw/zinc/52/01/40/786520140.db2.gz CCRLDKUMGGIHPJ-CABCVRRESA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 ZINC001074269591 786554368 /nfs/dbraw/zinc/55/43/68/786554368.db2.gz XSFGINQFYNPKPE-CABCVRRESA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 ZINC001074269591 786554372 /nfs/dbraw/zinc/55/43/72/786554372.db2.gz XSFGINQFYNPKPE-CABCVRRESA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)C3CC=CC3)C2)C1=O ZINC001073560369 786603396 /nfs/dbraw/zinc/60/33/96/786603396.db2.gz KCMHMUVRLJJDFG-DLBZAZTESA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)C3CC=CC3)C2)C1=O ZINC001073560369 786603402 /nfs/dbraw/zinc/60/34/02/786603402.db2.gz KCMHMUVRLJJDFG-DLBZAZTESA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 ZINC001074292318 786609722 /nfs/dbraw/zinc/60/97/22/786609722.db2.gz SWANWZWPBGTUBJ-HUUCEWRRSA-N 1 1 349.431 0.403 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 ZINC001074292318 786609728 /nfs/dbraw/zinc/60/97/28/786609728.db2.gz SWANWZWPBGTUBJ-HUUCEWRRSA-N 1 1 349.431 0.403 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@@H]21 ZINC001074294440 786615666 /nfs/dbraw/zinc/61/56/66/786615666.db2.gz NLBFHXJXQRTRFY-KBPBESRZSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@@H]21 ZINC001074294440 786615669 /nfs/dbraw/zinc/61/56/69/786615669.db2.gz NLBFHXJXQRTRFY-KBPBESRZSA-N 1 1 342.403 0.844 20 30 ECEDMO C#CCCCC(=O)N1CCN(C2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001073564610 786619652 /nfs/dbraw/zinc/61/96/52/786619652.db2.gz FMGWQUWMTROTIR-QGZVFWFLSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2CC1 ZINC001074309026 786644951 /nfs/dbraw/zinc/64/49/51/786644951.db2.gz VKTRVAKAKJHBCR-IXDOHACOSA-N 1 1 349.475 0.838 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2CC1 ZINC001074309025 786645123 /nfs/dbraw/zinc/64/51/23/786645123.db2.gz VKTRVAKAKJHBCR-BBWFWOEESA-N 1 1 349.475 0.838 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574468 786653366 /nfs/dbraw/zinc/65/33/66/786653366.db2.gz SUGWCFANTDSFQN-TZMCWYRMSA-N 1 1 347.419 0.184 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574468 786653392 /nfs/dbraw/zinc/65/33/92/786653392.db2.gz SUGWCFANTDSFQN-TZMCWYRMSA-N 1 1 347.419 0.184 20 30 ECEDMO C#CCN1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001074348432 786728833 /nfs/dbraw/zinc/72/88/33/786728833.db2.gz MPXVEMMBBMBTPW-CVEARBPZSA-N 1 1 330.432 0.941 20 30 ECEDMO C=CCCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001073596524 786731912 /nfs/dbraw/zinc/73/19/12/786731912.db2.gz XTMMQEFTOKEYIL-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001073615641 786775348 /nfs/dbraw/zinc/77/53/48/786775348.db2.gz MUEYYFIMYHKYOU-HNNXBMFYSA-N 1 1 327.384 0.635 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001073615641 786775355 /nfs/dbraw/zinc/77/53/55/786775355.db2.gz MUEYYFIMYHKYOU-HNNXBMFYSA-N 1 1 327.384 0.635 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625972 786799550 /nfs/dbraw/zinc/79/95/50/786799550.db2.gz KDMMQGCMOMTSDB-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(C)nc2OC)C1 ZINC001073629449 786809377 /nfs/dbraw/zinc/80/93/77/786809377.db2.gz BXCGNMLNJOPTAS-AWEZNQCLSA-N 1 1 332.404 0.638 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001073629984 786813564 /nfs/dbraw/zinc/81/35/64/786813564.db2.gz KFNFUNCFCBIVTE-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001073632073 786822964 /nfs/dbraw/zinc/82/29/64/786822964.db2.gz XHNBEJXJXQCLGO-GFCCVEGCSA-N 1 1 328.376 0.197 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001073632073 786822972 /nfs/dbraw/zinc/82/29/72/786822972.db2.gz XHNBEJXJXQCLGO-GFCCVEGCSA-N 1 1 328.376 0.197 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001073634978 786832693 /nfs/dbraw/zinc/83/26/93/786832693.db2.gz YPDLOQVHDCTFGC-ZDUSSCGKSA-N 1 1 346.431 0.438 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001073636795 786834799 /nfs/dbraw/zinc/83/47/99/786834799.db2.gz HUIAJWSLCPAOIQ-HOCLYGCPSA-N 1 1 346.431 0.383 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001073636795 786834810 /nfs/dbraw/zinc/83/48/10/786834810.db2.gz HUIAJWSLCPAOIQ-HOCLYGCPSA-N 1 1 346.431 0.383 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC001073639144 786841473 /nfs/dbraw/zinc/84/14/73/786841473.db2.gz CEXQUQLECAEKEM-SNVBAGLBSA-N 1 1 330.310 0.882 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC001073639144 786841479 /nfs/dbraw/zinc/84/14/79/786841479.db2.gz CEXQUQLECAEKEM-SNVBAGLBSA-N 1 1 330.310 0.882 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001073639695 786843768 /nfs/dbraw/zinc/84/37/68/786843768.db2.gz JVLCTMWLNKHLRC-CYBMUJFWSA-N 1 1 330.392 0.750 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 ZINC001074402892 786868112 /nfs/dbraw/zinc/86/81/12/786868112.db2.gz NHFOZNLULRGWRA-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 ZINC001074402892 786868115 /nfs/dbraw/zinc/86/81/15/786868115.db2.gz NHFOZNLULRGWRA-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074404408 786873132 /nfs/dbraw/zinc/87/31/32/786873132.db2.gz BLWPICOLJISSPZ-LSDHHAIUSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074404408 786873143 /nfs/dbraw/zinc/87/31/43/786873143.db2.gz BLWPICOLJISSPZ-LSDHHAIUSA-N 1 1 332.404 0.605 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001073661099 786904568 /nfs/dbraw/zinc/90/45/68/786904568.db2.gz WBXSEROKFMPMGU-CQSZACIVSA-N 1 1 334.420 0.810 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001073661088 786904785 /nfs/dbraw/zinc/90/47/85/786904785.db2.gz VWKSAQCRTANUHB-HNNXBMFYSA-N 1 1 341.415 0.812 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC001073664578 786910788 /nfs/dbraw/zinc/91/07/88/786910788.db2.gz JLVDHPUXUWSXLC-INIZCTEOSA-N 1 1 329.400 0.630 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 ZINC001074419718 786928846 /nfs/dbraw/zinc/92/88/46/786928846.db2.gz QAAYTCDLPXSAGS-HOTGVXAUSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 ZINC001074419718 786928847 /nfs/dbraw/zinc/92/88/47/786928847.db2.gz QAAYTCDLPXSAGS-HOTGVXAUSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073677500 786947494 /nfs/dbraw/zinc/94/74/94/786947494.db2.gz IVIALVMRBNPCPO-ZDUSSCGKSA-N 1 1 344.415 0.973 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001073689872 786974428 /nfs/dbraw/zinc/97/44/28/786974428.db2.gz FKVFUHZSHFVSOR-GFCCVEGCSA-N 1 1 328.376 0.197 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001073689872 786974436 /nfs/dbraw/zinc/97/44/36/786974436.db2.gz FKVFUHZSHFVSOR-GFCCVEGCSA-N 1 1 328.376 0.197 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001073690872 786978099 /nfs/dbraw/zinc/97/80/99/786978099.db2.gz JYLDQZOYGPGDIY-AWEZNQCLSA-N 1 1 332.404 0.510 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001073690872 786978103 /nfs/dbraw/zinc/97/81/03/786978103.db2.gz JYLDQZOYGPGDIY-AWEZNQCLSA-N 1 1 332.404 0.510 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001073708271 787017075 /nfs/dbraw/zinc/01/70/75/787017075.db2.gz HXUYNAYRDWOXCT-HNNXBMFYSA-N 1 1 345.403 0.926 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001073712915 787028260 /nfs/dbraw/zinc/02/82/60/787028260.db2.gz PBIOOGQSDGTPCM-CABCVRRESA-N 1 1 346.431 0.758 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001073716452 787040618 /nfs/dbraw/zinc/04/06/18/787040618.db2.gz CXOHUUFXXAFBPH-HNNXBMFYSA-N 1 1 341.415 0.731 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001073716452 787040628 /nfs/dbraw/zinc/04/06/28/787040628.db2.gz CXOHUUFXXAFBPH-HNNXBMFYSA-N 1 1 341.415 0.731 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001073738879 787090158 /nfs/dbraw/zinc/09/01/58/787090158.db2.gz FSUPFCAGOHZYCS-HOTGVXAUSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001073743226 787102351 /nfs/dbraw/zinc/10/23/51/787102351.db2.gz QPTRXDXMLROQRN-KBPBESRZSA-N 1 1 347.381 0.711 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001073743226 787102340 /nfs/dbraw/zinc/10/23/40/787102340.db2.gz QPTRXDXMLROQRN-KBPBESRZSA-N 1 1 347.381 0.711 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001074511970 787132103 /nfs/dbraw/zinc/13/21/03/787132103.db2.gz DHCGRNVOXXIXKA-UHFFFAOYSA-N 1 1 325.453 0.763 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001073762768 787152675 /nfs/dbraw/zinc/15/26/75/787152675.db2.gz MLPCUMKGXCRFJA-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001073762768 787152677 /nfs/dbraw/zinc/15/26/77/787152677.db2.gz MLPCUMKGXCRFJA-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001073772232 787174104 /nfs/dbraw/zinc/17/41/04/787174104.db2.gz IWFSZWTWKHJCOR-CYBMUJFWSA-N 1 1 332.404 0.496 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001073781687 787191618 /nfs/dbraw/zinc/19/16/18/787191618.db2.gz LRPLCBVTTPOQFT-AWEZNQCLSA-N 1 1 348.447 0.748 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001073781753 787191792 /nfs/dbraw/zinc/19/17/92/787191792.db2.gz NIYNWFVGKMIZIK-IXDOHACOSA-N 1 1 330.432 0.754 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001073794179 787212281 /nfs/dbraw/zinc/21/22/81/787212281.db2.gz BLSRTBMQNYAOPX-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001073795832 787217454 /nfs/dbraw/zinc/21/74/54/787217454.db2.gz FVWHVXHOCYPPDD-ZDUSSCGKSA-N 1 1 328.372 0.722 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001073795832 787217460 /nfs/dbraw/zinc/21/74/60/787217460.db2.gz FVWHVXHOCYPPDD-ZDUSSCGKSA-N 1 1 328.372 0.722 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001073807350 787237564 /nfs/dbraw/zinc/23/75/64/787237564.db2.gz MQZSZDURLCUCNX-JTQLQIEISA-N 1 1 347.341 0.841 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001073832639 787303839 /nfs/dbraw/zinc/30/38/39/787303839.db2.gz QXPQSWSDTAEWPI-HNNXBMFYSA-N 1 1 329.404 0.975 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)C#CC(C)C)CC1 ZINC001074579905 787311915 /nfs/dbraw/zinc/31/19/15/787311915.db2.gz ZNRZMBCDBPTSKD-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001073853571 787366144 /nfs/dbraw/zinc/36/61/44/787366144.db2.gz JETHOYZWWVCCGX-JCYILVPMSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001073853571 787366154 /nfs/dbraw/zinc/36/61/54/787366154.db2.gz JETHOYZWWVCCGX-JCYILVPMSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001073856998 787373390 /nfs/dbraw/zinc/37/33/90/787373390.db2.gz WOEFYNVFQXSWSC-CYBMUJFWSA-N 1 1 345.403 0.832 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001073856772 787373456 /nfs/dbraw/zinc/37/34/56/787373456.db2.gz PFRXBZVBWZQEKH-CYBMUJFWSA-N 1 1 330.392 0.439 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001073861562 787386457 /nfs/dbraw/zinc/38/64/57/787386457.db2.gz FFXQBKVFPUEYQJ-HNNXBMFYSA-N 1 1 344.415 0.285 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001073876567 787420045 /nfs/dbraw/zinc/42/00/45/787420045.db2.gz HCHQCVORIXGOJZ-YOEHRIQHSA-N 1 1 330.384 0.667 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001073876567 787420050 /nfs/dbraw/zinc/42/00/50/787420050.db2.gz HCHQCVORIXGOJZ-YOEHRIQHSA-N 1 1 330.384 0.667 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001073883199 787428249 /nfs/dbraw/zinc/42/82/49/787428249.db2.gz GWCXYANBLJFEDH-MRXNPFEDSA-N 1 1 329.400 0.630 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001073886472 787437862 /nfs/dbraw/zinc/43/78/62/787437862.db2.gz PIVVZQQDCATPIJ-HNNXBMFYSA-N 1 1 336.436 0.008 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001074627744 787444277 /nfs/dbraw/zinc/44/42/77/787444277.db2.gz RNJXGYPWFVLGKA-JYJNAYRXSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001074627744 787444285 /nfs/dbraw/zinc/44/42/85/787444285.db2.gz RNJXGYPWFVLGKA-JYJNAYRXSA-N 1 1 347.459 0.210 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001073896049 787464605 /nfs/dbraw/zinc/46/46/05/787464605.db2.gz JMSRDSGAQZAXDX-JKSUJKDBSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001073896359 787466626 /nfs/dbraw/zinc/46/66/26/787466626.db2.gz QJOXVKJYXLFTEX-HOTGVXAUSA-N 1 1 325.453 0.490 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001073908476 787495999 /nfs/dbraw/zinc/49/59/99/787495999.db2.gz MKKCLOMQGGRAJK-HNNXBMFYSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001073908476 787496002 /nfs/dbraw/zinc/49/60/02/787496002.db2.gz MKKCLOMQGGRAJK-HNNXBMFYSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001073914672 787519883 /nfs/dbraw/zinc/51/98/83/787519883.db2.gz ZIQSAMYAOJJMPF-AWEZNQCLSA-N 1 1 342.399 0.733 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001073914672 787519886 /nfs/dbraw/zinc/51/98/86/787519886.db2.gz ZIQSAMYAOJJMPF-AWEZNQCLSA-N 1 1 342.399 0.733 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001074707297 787649507 /nfs/dbraw/zinc/64/95/07/787649507.db2.gz XXMYLBOCFROIJU-UONOGXRCSA-N 1 1 336.436 0.100 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001074016710 787685188 /nfs/dbraw/zinc/68/51/88/787685188.db2.gz ITALJOLTQWYETD-LSDHHAIUSA-N 1 1 325.453 0.882 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001074063182 787794792 /nfs/dbraw/zinc/79/47/92/787794792.db2.gz MTCFIYHICFMANM-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)c3[nH]nnc3C)[C@H]2C)C1=O ZINC001074785962 787818586 /nfs/dbraw/zinc/81/85/86/787818586.db2.gz JOOSQGLSPXZLJF-AVGNSLFASA-N 1 1 332.408 0.093 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001074992439 788682708 /nfs/dbraw/zinc/68/27/08/788682708.db2.gz DVNDIOQIHQNVBO-GOEBONIOSA-N 1 1 346.431 0.727 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001075000078 788700134 /nfs/dbraw/zinc/70/01/34/788700134.db2.gz SUXGHBZYCRPDLO-UKRRQHHQSA-N 1 1 334.420 0.890 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001072762077 788743044 /nfs/dbraw/zinc/74/30/44/788743044.db2.gz PETCNFQBIBPMQG-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1ccn(C)n1)C2 ZINC001072822370 788889743 /nfs/dbraw/zinc/88/97/43/788889743.db2.gz DFTOLWNTVNQXHP-KRWDZBQOSA-N 1 1 341.459 0.552 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1ccn(C)n1)C2 ZINC001072822370 788889751 /nfs/dbraw/zinc/88/97/51/788889751.db2.gz DFTOLWNTVNQXHP-KRWDZBQOSA-N 1 1 341.459 0.552 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C2)C1 ZINC001072848812 788953110 /nfs/dbraw/zinc/95/31/10/788953110.db2.gz LGLVJAOZAAQHBC-AWEZNQCLSA-N 1 1 328.416 0.625 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC001072854072 788969222 /nfs/dbraw/zinc/96/92/22/788969222.db2.gz BZFOEKGSYOZHJO-UHFFFAOYSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001075189482 789036345 /nfs/dbraw/zinc/03/63/45/789036345.db2.gz RYVILFONBJOXLO-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)c3ccc(S(N)(=O)=O)o3)C2)C1 ZINC001072896613 789059576 /nfs/dbraw/zinc/05/95/76/789059576.db2.gz YBKPFZIUWAGMFY-UHFFFAOYSA-N 1 1 339.417 0.651 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)C#CC(C)(C)C)CC2)C1 ZINC001072922548 789120236 /nfs/dbraw/zinc/12/02/36/789120236.db2.gz SDZUCJMILBIVOS-HNNXBMFYSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)C#CC(C)(C)C)CC2)C1 ZINC001072922548 789120241 /nfs/dbraw/zinc/12/02/41/789120241.db2.gz SDZUCJMILBIVOS-HNNXBMFYSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001072951828 789157612 /nfs/dbraw/zinc/15/76/12/789157612.db2.gz YFHMGQWKFGQHOY-QGZVFWFLSA-N 1 1 348.447 0.675 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N(C)C)C3)c1 ZINC001072968359 789180874 /nfs/dbraw/zinc/18/08/74/789180874.db2.gz HYMKJXKSRIXKQM-UHFFFAOYSA-N 1 1 326.400 0.299 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(=O)N(C)C)C3)c1 ZINC001072968510 789181176 /nfs/dbraw/zinc/18/11/76/789181176.db2.gz OVMYKZBJBODLBY-CQSZACIVSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@H](CC)[NH+](C)C)C3)C2)C1=O ZINC001072991503 789237720 /nfs/dbraw/zinc/23/77/20/789237720.db2.gz WFZXRXOBAKOVTN-JKSUJKDBSA-N 1 1 348.491 0.648 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC1CC1)C2 ZINC001072994618 789245258 /nfs/dbraw/zinc/24/52/58/789245258.db2.gz KCPVDGYMTZLCKK-CABCVRRESA-N 1 1 333.432 0.390 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC1CC1)C2 ZINC001072994618 789245268 /nfs/dbraw/zinc/24/52/68/789245268.db2.gz KCPVDGYMTZLCKK-CABCVRRESA-N 1 1 333.432 0.390 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC001073001163 789259046 /nfs/dbraw/zinc/25/90/46/789259046.db2.gz UVAGIVUWDWPSJB-UHFFFAOYSA-N 1 1 328.416 0.522 20 30 ECEDMO C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001075389133 789316590 /nfs/dbraw/zinc/31/65/90/789316590.db2.gz YAVWCMDRBRYOLL-JKSUJKDBSA-N 1 1 345.447 0.746 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(C)(NC(=O)CSCC#N)CC2)C1 ZINC001073038857 789321243 /nfs/dbraw/zinc/32/12/43/789321243.db2.gz RZXLPXGYESDJLZ-ZDUSSCGKSA-N 1 1 338.477 0.692 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001073038639 789321497 /nfs/dbraw/zinc/32/14/97/789321497.db2.gz MSUVWXRZAZKXMX-KSSFIOAISA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001073046063 789339637 /nfs/dbraw/zinc/33/96/37/789339637.db2.gz LVHSMHILVWPMLB-XHSDSOJGSA-N 1 1 347.459 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cnnn1C)C2 ZINC001073050914 789348708 /nfs/dbraw/zinc/34/87/08/789348708.db2.gz FBVAELNQFUCZFV-HOTGVXAUSA-N 1 1 345.447 0.831 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cnnn1C)C2 ZINC001073050914 789348717 /nfs/dbraw/zinc/34/87/17/789348717.db2.gz FBVAELNQFUCZFV-HOTGVXAUSA-N 1 1 345.447 0.831 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2 ZINC001073052119 789350679 /nfs/dbraw/zinc/35/06/79/789350679.db2.gz DTZSSZCYOOTHGN-JYJNAYRXSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001073093258 789429967 /nfs/dbraw/zinc/42/99/67/789429967.db2.gz OWFISQSLRXMZRO-OAHLLOKOSA-N 1 1 337.464 0.862 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC)C2 ZINC001073112111 789462517 /nfs/dbraw/zinc/46/25/17/789462517.db2.gz LPRMXHJTLKUMTQ-UHFFFAOYSA-N 1 1 344.415 0.540 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC)C2 ZINC001073112111 789462522 /nfs/dbraw/zinc/46/25/22/789462522.db2.gz LPRMXHJTLKUMTQ-UHFFFAOYSA-N 1 1 344.415 0.540 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3ccc(N4CCCC4)nn3)C2)C1 ZINC001073118295 789471878 /nfs/dbraw/zinc/47/18/78/789471878.db2.gz NNLUESQDHAWDEJ-UHFFFAOYSA-N 1 1 325.416 0.858 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC2CC2)C3)nc1 ZINC001073134787 789505054 /nfs/dbraw/zinc/50/50/54/789505054.db2.gz QVYCDYXHAYCQOM-UHFFFAOYSA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC2CC2)C3)nc1 ZINC001073134787 789505062 /nfs/dbraw/zinc/50/50/62/789505062.db2.gz QVYCDYXHAYCQOM-UHFFFAOYSA-N 1 1 338.411 0.489 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001073136400 789509845 /nfs/dbraw/zinc/50/98/45/789509845.db2.gz LBSGVYRROUFLJK-INIZCTEOSA-N 1 1 338.411 0.871 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001073136400 789509849 /nfs/dbraw/zinc/50/98/49/789509849.db2.gz LBSGVYRROUFLJK-INIZCTEOSA-N 1 1 338.411 0.871 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnsn4)[C@@H]3C2)C1=O ZINC001075583793 789531496 /nfs/dbraw/zinc/53/14/96/789531496.db2.gz IMJIGDOUWQDFLU-IACUBPJLSA-N 1 1 347.444 0.471 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001073183603 789586901 /nfs/dbraw/zinc/58/69/01/789586901.db2.gz GTWBCDRNUYUDRR-LSDHHAIUSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4cc[nH]n4)[C@@H]3C2)C1=O ZINC001075640030 789609088 /nfs/dbraw/zinc/60/90/88/789609088.db2.gz QGAWZGWAVQYZMQ-CWRNSKLLSA-N 1 1 343.431 0.272 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4ccn[nH]4)[C@@H]3C2)C1=O ZINC001075640030 789609091 /nfs/dbraw/zinc/60/90/91/789609091.db2.gz QGAWZGWAVQYZMQ-CWRNSKLLSA-N 1 1 343.431 0.272 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4ccn[nH]4)[C@@H]3C2)C1=O ZINC001075640030 789609097 /nfs/dbraw/zinc/60/90/97/789609097.db2.gz QGAWZGWAVQYZMQ-CWRNSKLLSA-N 1 1 343.431 0.272 20 30 ECEDMO C[C@@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001069199517 789652180 /nfs/dbraw/zinc/65/21/80/789652180.db2.gz HHAZCBVWFPGMQO-KGLIPLIRSA-N 1 1 342.447 0.903 20 30 ECEDMO C=CCOCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001073260648 789668807 /nfs/dbraw/zinc/66/88/07/789668807.db2.gz PIXJZNVLXVLGAH-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO CCC1(NC(=O)[C@H](C)C#N)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001069272871 789724323 /nfs/dbraw/zinc/72/43/23/789724323.db2.gz HWZCEUYYCSJIEP-ZIAGYGMSSA-N 1 1 336.436 0.364 20 30 ECEDMO CCC1(NC(=O)[C@H](C)C#N)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001069272871 789724328 /nfs/dbraw/zinc/72/43/28/789724328.db2.gz HWZCEUYYCSJIEP-ZIAGYGMSSA-N 1 1 336.436 0.364 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001069384657 789790059 /nfs/dbraw/zinc/79/00/59/789790059.db2.gz CFDBCTYULLIUJW-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)Cn4cncn4)C3)C2)cc1 ZINC001073408509 789796889 /nfs/dbraw/zinc/79/68/89/789796889.db2.gz WPTXSSSKWNJHGT-UHFFFAOYSA-N 1 1 336.399 0.884 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC001073443293 789847452 /nfs/dbraw/zinc/84/74/52/789847452.db2.gz JAPCJADBBYYQDT-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069794068 790037667 /nfs/dbraw/zinc/03/76/67/790037667.db2.gz AMKSUMVXTDWMNW-UHFFFAOYSA-N 1 1 342.447 0.903 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 ZINC001069830828 790064186 /nfs/dbraw/zinc/06/41/86/790064186.db2.gz HPAFUUXKHUSJAJ-BBRMVZONSA-N 1 1 340.431 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CCF)CC2 ZINC001069863199 790117516 /nfs/dbraw/zinc/11/75/16/790117516.db2.gz CEBLEJMARYKONZ-HNNXBMFYSA-N 1 1 333.411 0.382 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CCF)CC2 ZINC001069863199 790117519 /nfs/dbraw/zinc/11/75/19/790117519.db2.gz CEBLEJMARYKONZ-HNNXBMFYSA-N 1 1 333.411 0.382 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)c2C1 ZINC001069870855 790132129 /nfs/dbraw/zinc/13/21/29/790132129.db2.gz XGGYPNGHTFQOHT-KRWDZBQOSA-N 1 1 345.447 0.057 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069898624 790167152 /nfs/dbraw/zinc/16/71/52/790167152.db2.gz SKIRHLYLOGGWMB-ZNMIVQPWSA-N 1 1 329.408 0.653 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069898624 790167153 /nfs/dbraw/zinc/16/71/53/790167153.db2.gz SKIRHLYLOGGWMB-ZNMIVQPWSA-N 1 1 329.408 0.653 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069900180 790168645 /nfs/dbraw/zinc/16/86/45/790168645.db2.gz RMSVAYCEBWKYMI-CABCVRRESA-N 1 1 329.408 0.931 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902205 790171117 /nfs/dbraw/zinc/17/11/17/790171117.db2.gz LUIZLQPSNBFKLN-RDBSUJKOSA-N 1 1 338.843 0.466 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ncoc2CC)[C@@H](n2ccnn2)C1 ZINC001069904385 790174091 /nfs/dbraw/zinc/17/40/91/790174091.db2.gz XOSWBZMZTYRAQL-OLZOCXBDSA-N 1 1 328.376 0.507 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ncoc2CC)[C@@H](n2ccnn2)C1 ZINC001069904385 790174093 /nfs/dbraw/zinc/17/40/93/790174093.db2.gz XOSWBZMZTYRAQL-OLZOCXBDSA-N 1 1 328.376 0.507 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001069908641 790178166 /nfs/dbraw/zinc/17/81/66/790178166.db2.gz IMYWFALTHJWIBW-CABCVRRESA-N 1 1 328.351 0.491 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001069908641 790178167 /nfs/dbraw/zinc/17/81/67/790178167.db2.gz IMYWFALTHJWIBW-CABCVRRESA-N 1 1 328.351 0.491 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2n2ccnn2)[nH]1 ZINC001069908950 790178188 /nfs/dbraw/zinc/17/81/88/790178188.db2.gz YTHNTGQRXMROPP-CVEARBPZSA-N 1 1 339.403 0.933 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924802 790196123 /nfs/dbraw/zinc/19/61/23/790196123.db2.gz GNLUIZMWMYFKFN-PMPSAXMXSA-N 1 1 330.436 0.126 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001069925815 790196644 /nfs/dbraw/zinc/19/66/44/790196644.db2.gz ACDLTZZNXOAAKZ-CABCVRRESA-N 1 1 329.408 0.172 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929935 790202815 /nfs/dbraw/zinc/20/28/15/790202815.db2.gz UORFBRJNFAEEDM-LZWOXQAQSA-N 1 1 341.419 0.180 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)[C@@H](n2ccnn2)C1 ZINC001069936545 790210530 /nfs/dbraw/zinc/21/05/30/790210530.db2.gz HFPPTSPBNKJTNT-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)[C@H]1C ZINC001068862191 791290179 /nfs/dbraw/zinc/29/01/79/791290179.db2.gz VOHOXKDHIINCPC-BXUZGUMPSA-N 1 1 325.376 0.955 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068873263 791317462 /nfs/dbraw/zinc/31/74/62/791317462.db2.gz BCZVZLHOZCDVLA-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068873613 791318676 /nfs/dbraw/zinc/31/86/76/791318676.db2.gz GIMATLNSMOUNHL-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068874722 791322350 /nfs/dbraw/zinc/32/23/50/791322350.db2.gz WJNFVGWWHBILQE-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001068940250 791467847 /nfs/dbraw/zinc/46/78/47/791467847.db2.gz LPVAZAQMGCGAKS-KBPBESRZSA-N 1 1 336.436 0.364 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[N@H+](C)CC)CO2 ZINC001069034713 791625893 /nfs/dbraw/zinc/62/58/93/791625893.db2.gz AXPPREKJVXQRAU-OAHLLOKOSA-N 1 1 335.448 0.618 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001069039577 791635035 /nfs/dbraw/zinc/63/50/35/791635035.db2.gz PFJURIGEHVLDOE-HNNXBMFYSA-N 1 1 333.432 0.228 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C[C@@H]1C ZINC001069175471 791759566 /nfs/dbraw/zinc/75/95/66/791759566.db2.gz JNCGHGHZGQBULC-AAEUAGOBSA-N 1 1 325.376 0.377 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](CNc2cncc(C#N)n2)C1 ZINC001066675892 791970301 /nfs/dbraw/zinc/97/03/01/791970301.db2.gz WLGUWAYICXWXIE-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)CC2)C1 ZINC001066749783 792096090 /nfs/dbraw/zinc/09/60/90/792096090.db2.gz AESZKEYZSVXFQS-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cn1cccn1 ZINC001066822896 792202027 /nfs/dbraw/zinc/20/20/27/792202027.db2.gz SMGHQVPQKMMRCR-INIZCTEOSA-N 1 1 345.447 0.288 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cn1cccn1 ZINC001066822896 792202036 /nfs/dbraw/zinc/20/20/36/792202036.db2.gz SMGHQVPQKMMRCR-INIZCTEOSA-N 1 1 345.447 0.288 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1CN(C)c1cnc(C#N)cn1 ZINC001067782623 792278579 /nfs/dbraw/zinc/27/85/79/792278579.db2.gz ZDQPVXYFUAKZGC-OAHLLOKOSA-N 1 1 339.403 0.981 20 30 ECEDMO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001067867042 792394798 /nfs/dbraw/zinc/39/47/98/792394798.db2.gz ZHAYMJBBWJBYJX-YOFIQYCBSA-N 1 1 348.447 0.316 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cnsn1 ZINC001066937070 792422830 /nfs/dbraw/zinc/42/28/30/792422830.db2.gz JPRGFNGQINBDKM-AWEZNQCLSA-N 1 1 349.460 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cnsn1 ZINC001066937070 792422839 /nfs/dbraw/zinc/42/28/39/792422839.db2.gz JPRGFNGQINBDKM-AWEZNQCLSA-N 1 1 349.460 0.556 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001067010470 792570812 /nfs/dbraw/zinc/57/08/12/792570812.db2.gz MRSWPPMNKZVZND-OAGGEKHMSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCn1cc(C(=O)N(C)CCCN(C)C(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001067010608 792572238 /nfs/dbraw/zinc/57/22/38/792572238.db2.gz QVWUNZDQWQIAQT-OAHLLOKOSA-N 1 1 348.451 0.479 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)CC2(C)C)C1 ZINC001068102476 792674608 /nfs/dbraw/zinc/67/46/08/792674608.db2.gz QKHMVWIYOVKRBF-CHWSQXEVSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)CC2(C)C)C1 ZINC001068102476 792674617 /nfs/dbraw/zinc/67/46/17/792674617.db2.gz QKHMVWIYOVKRBF-CHWSQXEVSA-N 1 1 344.419 0.010 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067115924 792713161 /nfs/dbraw/zinc/71/31/61/792713161.db2.gz BHZIVINFGQXEEY-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC1(C)C ZINC001068126940 792717013 /nfs/dbraw/zinc/71/70/13/792717013.db2.gz QONCAKXNBXJUCC-AWEZNQCLSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCCCO1 ZINC001067199910 792811244 /nfs/dbraw/zinc/81/12/44/792811244.db2.gz SQBSEUYANSUMAA-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCCCO1 ZINC001067199910 792811257 /nfs/dbraw/zinc/81/12/57/792811257.db2.gz SQBSEUYANSUMAA-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCCO1 ZINC001067199911 792811673 /nfs/dbraw/zinc/81/16/73/792811673.db2.gz SQBSEUYANSUMAA-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCCO1 ZINC001067199911 792811686 /nfs/dbraw/zinc/81/16/86/792811686.db2.gz SQBSEUYANSUMAA-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(C)=O)CC1 ZINC001068246851 792929487 /nfs/dbraw/zinc/92/94/87/792929487.db2.gz KYDRQEYVCBMAQT-JCGIZDLHSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001067288107 792940534 /nfs/dbraw/zinc/94/05/34/792940534.db2.gz JYLLKENGGPTFDO-MRXNPFEDSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001067288107 792940540 /nfs/dbraw/zinc/94/05/40/792940540.db2.gz JYLLKENGGPTFDO-MRXNPFEDSA-N 1 1 337.464 0.818 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001067292571 792946163 /nfs/dbraw/zinc/94/61/63/792946163.db2.gz RCHSZHHIJYMFBU-QAPCUYQASA-N 1 1 339.480 0.962 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001067292572 792946298 /nfs/dbraw/zinc/94/62/98/792946298.db2.gz RCHSZHHIJYMFBU-YJBOKZPZSA-N 1 1 339.480 0.962 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001067293346 792947191 /nfs/dbraw/zinc/94/71/91/792947191.db2.gz UNOIZHXMPHRQDY-QGZVFWFLSA-N 1 1 336.436 0.826 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067293088 792947300 /nfs/dbraw/zinc/94/73/00/792947300.db2.gz IKDMAPKWPBGMCM-YOEHRIQHSA-N 1 1 325.453 0.572 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001068347889 793096261 /nfs/dbraw/zinc/09/62/61/793096261.db2.gz IDNPMFWALRIYIN-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCCCC(=O)N1CCOC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001068451599 793334578 /nfs/dbraw/zinc/33/45/78/793334578.db2.gz QCWPAXHESRLKSG-HOTGVXAUSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001267488694 837552761 /nfs/dbraw/zinc/55/27/61/837552761.db2.gz OCWQRWXUIJWVHJ-MRXNPFEDSA-N 1 1 330.432 0.806 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CNC(=O)N1)Cc1ccc(C#N)cc1 ZINC001267508399 837595049 /nfs/dbraw/zinc/59/50/49/837595049.db2.gz WSLOLBTVXUCNSN-INIZCTEOSA-N 1 1 343.431 0.956 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC[C@H](F)C1)CC(=O)NCC#N ZINC001267508527 837595329 /nfs/dbraw/zinc/59/53/29/837595329.db2.gz XPNMMCGQOCBIBJ-KGLIPLIRSA-N 1 1 326.416 0.981 20 30 ECEDMO CC#CC[N@@H+](CCCNC(=O)Cn1ncn2nccc2c1=O)C(C)C ZINC001267510334 837601170 /nfs/dbraw/zinc/60/11/70/837601170.db2.gz LRQBJAICXFGEDJ-UHFFFAOYSA-N 1 1 344.419 0.131 20 30 ECEDMO CC[C@]1(C(=O)NCC[C@H]2CC[N@@H+](CC#CCOC)C2)CCNC1=O ZINC001267536367 837715710 /nfs/dbraw/zinc/71/57/10/837715710.db2.gz RMPNNRMWOROEIX-MAUKXSAKSA-N 1 1 335.448 0.381 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCOC2)C1 ZINC001267540557 837724506 /nfs/dbraw/zinc/72/45/06/837724506.db2.gz OVIYCYBMKLFAIZ-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCOC2)C1 ZINC001267540557 837724508 /nfs/dbraw/zinc/72/45/08/837724508.db2.gz OVIYCYBMKLFAIZ-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267541378 837727623 /nfs/dbraw/zinc/72/76/23/837727623.db2.gz ZTOUEKDELDIYNK-CRAIPNDOSA-N 1 1 337.464 0.905 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001267541378 837727628 /nfs/dbraw/zinc/72/76/28/837727628.db2.gz ZTOUEKDELDIYNK-CRAIPNDOSA-N 1 1 337.464 0.905 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2ccn(C)n2)C1 ZINC001267542209 837728815 /nfs/dbraw/zinc/72/88/15/837728815.db2.gz RAKISLIGSQQOTG-MRXNPFEDSA-N 1 1 347.463 0.578 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2ccn(C)n2)C1 ZINC001267542209 837728822 /nfs/dbraw/zinc/72/88/22/837728822.db2.gz RAKISLIGSQQOTG-MRXNPFEDSA-N 1 1 347.463 0.578 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267544607 837734182 /nfs/dbraw/zinc/73/41/82/837734182.db2.gz RWKCPKIGTZEEGW-CQSZACIVSA-N 1 1 334.420 0.838 20 30 ECEDMO CCCN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267545820 837737848 /nfs/dbraw/zinc/73/78/48/837737848.db2.gz FEELZZPWBHIEAH-AWEZNQCLSA-N 1 1 332.404 0.346 20 30 ECEDMO CCCN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267545820 837737851 /nfs/dbraw/zinc/73/78/51/837737851.db2.gz FEELZZPWBHIEAH-AWEZNQCLSA-N 1 1 332.404 0.346 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267547780 837742585 /nfs/dbraw/zinc/74/25/85/837742585.db2.gz RANDGAWMSXTKOR-HUUCEWRRSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267547780 837742597 /nfs/dbraw/zinc/74/25/97/837742597.db2.gz RANDGAWMSXTKOR-HUUCEWRRSA-N 1 1 345.447 0.403 20 30 ECEDMO CCCN(C(=O)C[C@@H]1CCC(=O)N1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267547763 837743085 /nfs/dbraw/zinc/74/30/85/837743085.db2.gz QSTAGAPILSCUIL-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO CCCN(C(=O)C[C@@H]1CCC(=O)N1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267547763 837743095 /nfs/dbraw/zinc/74/30/95/837743095.db2.gz QSTAGAPILSCUIL-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267548194 837744791 /nfs/dbraw/zinc/74/47/91/837744791.db2.gz AAFFSXZCBWXHIA-UONOGXRCSA-N 1 1 336.436 0.864 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001267548495 837746475 /nfs/dbraw/zinc/74/64/75/837746475.db2.gz GPQUBJRSLMERFC-NSHDSACASA-N 1 1 334.376 0.456 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cccc(F)c2)C1 ZINC001267549561 837747894 /nfs/dbraw/zinc/74/78/94/837747894.db2.gz FZBGFBSYNAOBJT-ZDUSSCGKSA-N 1 1 332.379 0.907 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cc(C)ncn2)C1 ZINC001267554172 837758409 /nfs/dbraw/zinc/75/84/09/837758409.db2.gz QRLDODAJJWKSRW-HUUCEWRRSA-N 1 1 345.447 0.918 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2n[nH]c(C)c2C)C1 ZINC001267554269 837759003 /nfs/dbraw/zinc/75/90/03/837759003.db2.gz GVEFCYWFSPCOBA-CQSZACIVSA-N 1 1 333.436 0.771 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CCNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001267559925 837769683 /nfs/dbraw/zinc/76/96/83/837769683.db2.gz AZORGMONOMUYJA-CQSZACIVSA-N 1 1 346.431 0.980 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)C(N)=O)C2)cc1 ZINC001267565047 837780663 /nfs/dbraw/zinc/78/06/63/837780663.db2.gz XRPYGFTYXQERQK-CQSZACIVSA-N 1 1 330.388 0.402 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H]2CC[N@@H+](CCn3cncn3)C2)nn1 ZINC001267567468 837787926 /nfs/dbraw/zinc/78/79/26/837787926.db2.gz NGAWTDZNWAPTAP-AWEZNQCLSA-N 1 1 344.423 0.198 20 30 ECEDMO CCCN1C[C@H](C(=O)NCC[C@@H]2CC[N@@H+](CC#CCOC)C2)CC1=O ZINC001267568662 837791644 /nfs/dbraw/zinc/79/16/44/837791644.db2.gz WICWWAMGDRXVFO-IAGOWNOFSA-N 1 1 349.475 0.723 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CN3CCOCC3)[C@H]2C1 ZINC001083276091 837802705 /nfs/dbraw/zinc/80/27/05/837802705.db2.gz LXOHVZNSBFGAFQ-YESZJQIVSA-N 1 1 337.464 0.442 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)CCc2cnn(C)c2)C1 ZINC001267572276 837807895 /nfs/dbraw/zinc/80/78/95/837807895.db2.gz YEDDQSNBCRYRPH-INIZCTEOSA-N 1 1 332.448 0.831 20 30 ECEDMO C=C(Cl)CN1CC[NH+](CCCNC(=O)CCn2ccnn2)CC1 ZINC001266262934 835574340 /nfs/dbraw/zinc/57/43/40/835574340.db2.gz QYKIBSDMKWGKDT-UHFFFAOYSA-N 1 1 340.859 0.545 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)CCc2cnn(C)c2C)CC1 ZINC001266265136 835578047 /nfs/dbraw/zinc/57/80/47/835578047.db2.gz WUXFLNLJZMCASG-UHFFFAOYSA-N 1 1 333.480 0.971 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)CCc2cncnc2)CC1 ZINC001266266888 835581952 /nfs/dbraw/zinc/58/19/52/835581952.db2.gz GUJOZHIZAGHEFP-UHFFFAOYSA-N 1 1 329.448 0.556 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)c2nnc3ccccc3n2)CC1 ZINC001266266911 835582157 /nfs/dbraw/zinc/58/21/57/835582157.db2.gz HWDCZOAQABGBMV-UHFFFAOYSA-N 1 1 339.403 0.286 20 30 ECEDMO C[C@@H]1CCc2nc(C(=O)NCCC[NH+]3CCN(CC#N)CC3)cn2C1 ZINC001266267077 835583589 /nfs/dbraw/zinc/58/35/89/835583589.db2.gz MZRHQJPVFOVWEY-OAHLLOKOSA-N 1 1 344.463 0.726 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC001266267284 835585049 /nfs/dbraw/zinc/58/50/49/835585049.db2.gz WWWLQOAPDUVIIV-QGZVFWFLSA-N 1 1 343.475 0.593 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)[C@@]2(C)CCN(C(C)=O)C2)CC1 ZINC001266275803 835600006 /nfs/dbraw/zinc/60/00/06/835600006.db2.gz MYQOGPLENWPBBL-SFHVURJKSA-N 1 1 336.480 0.555 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1nccc2cccnc21 ZINC001266282946 835612458 /nfs/dbraw/zinc/61/24/58/835612458.db2.gz YCOAVKILHODQMS-ZDUSSCGKSA-N 1 1 339.399 0.429 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1nccc2cccnc21 ZINC001266282946 835612463 /nfs/dbraw/zinc/61/24/63/835612463.db2.gz YCOAVKILHODQMS-ZDUSSCGKSA-N 1 1 339.399 0.429 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)C[C@H]2CCOC[C@H]2OC)CC1 ZINC001266285950 835621696 /nfs/dbraw/zinc/62/16/96/835621696.db2.gz SSNDLMFWFRQIRE-IAGOWNOFSA-N 1 1 337.464 0.185 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccc[nH]2)C1 ZINC001266318080 835687149 /nfs/dbraw/zinc/68/71/49/835687149.db2.gz YKYHKBMXQZLRNU-WLMCBFPDSA-N 1 1 343.431 0.981 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)/C=C\c2ccc[nH]2)C1 ZINC001266318080 835687152 /nfs/dbraw/zinc/68/71/52/835687152.db2.gz YKYHKBMXQZLRNU-WLMCBFPDSA-N 1 1 343.431 0.981 20 30 ECEDMO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001266325485 835702513 /nfs/dbraw/zinc/70/25/13/835702513.db2.gz NYYIIISQPONZTM-AWEZNQCLSA-N 1 1 344.415 0.791 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NCC(C)C)C1 ZINC001266325886 835703492 /nfs/dbraw/zinc/70/34/92/835703492.db2.gz UHYBVRBKOWJOTJ-HOTGVXAUSA-N 1 1 334.464 0.047 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NCC(C)C)C1 ZINC001266325886 835703500 /nfs/dbraw/zinc/70/35/00/835703500.db2.gz UHYBVRBKOWJOTJ-HOTGVXAUSA-N 1 1 334.464 0.047 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001266327691 835708485 /nfs/dbraw/zinc/70/84/85/835708485.db2.gz JYSSZAJKSWYJFU-CJNGLKHVSA-N 1 1 345.447 0.642 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001266327691 835708493 /nfs/dbraw/zinc/70/84/93/835708493.db2.gz JYSSZAJKSWYJFU-CJNGLKHVSA-N 1 1 345.447 0.642 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCOCC2)C1 ZINC001266347438 835738462 /nfs/dbraw/zinc/73/84/62/835738462.db2.gz ORVDUDJXIJAUBM-OAHLLOKOSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C(C)(C)c2c[nH]cn2)C1=O ZINC001266347516 835740626 /nfs/dbraw/zinc/74/06/26/835740626.db2.gz MFZREMORMFBZNT-ZDUSSCGKSA-N 1 1 333.436 0.522 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C(C)(C)c2c[nH]cn2)C1=O ZINC001266347516 835740637 /nfs/dbraw/zinc/74/06/37/835740637.db2.gz MFZREMORMFBZNT-ZDUSSCGKSA-N 1 1 333.436 0.522 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnn(C)c1C1CC1 ZINC001266367834 835779268 /nfs/dbraw/zinc/77/92/68/835779268.db2.gz NNSBETQGMLWBCK-GFCCVEGCSA-N 1 1 333.436 0.650 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn(C)c1C1CC1 ZINC001266367834 835779278 /nfs/dbraw/zinc/77/92/78/835779278.db2.gz NNSBETQGMLWBCK-GFCCVEGCSA-N 1 1 333.436 0.650 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001266394027 835802356 /nfs/dbraw/zinc/80/23/56/835802356.db2.gz HBNQFZWPCRQVSD-UHFFFAOYSA-N 1 1 344.415 0.466 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001266394027 835802362 /nfs/dbraw/zinc/80/23/62/835802362.db2.gz HBNQFZWPCRQVSD-UHFFFAOYSA-N 1 1 344.415 0.466 20 30 ECEDMO CC[N@H+](CCNC(=O)c1coc(C(F)(F)F)n1)CC(=O)NCC#N ZINC001266400640 835808331 /nfs/dbraw/zinc/80/83/31/835808331.db2.gz QNOWTDIYCZCKPO-UHFFFAOYSA-N 1 1 347.297 0.385 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1coc(C(F)(F)F)n1)CC(=O)NCC#N ZINC001266400640 835808337 /nfs/dbraw/zinc/80/83/37/835808337.db2.gz QNOWTDIYCZCKPO-UHFFFAOYSA-N 1 1 347.297 0.385 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1ccnc(N(C)C)c1 ZINC001266421291 835825688 /nfs/dbraw/zinc/82/56/88/835825688.db2.gz STPOLHDUQCLZIF-AWEZNQCLSA-N 1 1 345.447 0.337 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1ccnc(N(C)C)c1 ZINC001266421291 835825695 /nfs/dbraw/zinc/82/56/95/835825695.db2.gz STPOLHDUQCLZIF-AWEZNQCLSA-N 1 1 345.447 0.337 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001266449650 835852702 /nfs/dbraw/zinc/85/27/02/835852702.db2.gz BQSBVZCDCOGMSY-LSDHHAIUSA-N 1 1 348.447 0.046 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001266449650 835852709 /nfs/dbraw/zinc/85/27/09/835852709.db2.gz BQSBVZCDCOGMSY-LSDHHAIUSA-N 1 1 348.447 0.046 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001266455516 835858334 /nfs/dbraw/zinc/85/83/34/835858334.db2.gz GMANSRBFNQAIMS-AGIUHOORSA-N 1 1 342.390 0.698 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2c(C)ncn2C)C1 ZINC001266458726 835861190 /nfs/dbraw/zinc/86/11/90/835861190.db2.gz ASHFPIIPNHUBIM-HNNXBMFYSA-N 1 1 345.447 0.262 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC001266461787 835863096 /nfs/dbraw/zinc/86/30/96/835863096.db2.gz WRBRGNSMCYGAOA-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC1 ZINC001266461787 835863103 /nfs/dbraw/zinc/86/31/03/835863103.db2.gz WRBRGNSMCYGAOA-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266461112 835863152 /nfs/dbraw/zinc/86/31/52/835863152.db2.gz JVIKPMZDXOMWCS-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266461112 835863159 /nfs/dbraw/zinc/86/31/59/835863159.db2.gz JVIKPMZDXOMWCS-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001266466011 835867062 /nfs/dbraw/zinc/86/70/62/835867062.db2.gz HGRBJUFRXPHWBN-HNNXBMFYSA-N 1 1 331.391 0.833 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC001266471140 835873051 /nfs/dbraw/zinc/87/30/51/835873051.db2.gz JAHRTIOBVHGANV-HIFRSBDPSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC001266471140 835873055 /nfs/dbraw/zinc/87/30/55/835873055.db2.gz JAHRTIOBVHGANV-HIFRSBDPSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001266472285 835875565 /nfs/dbraw/zinc/87/55/65/835875565.db2.gz HAYOLECPKUAIOO-CQSZACIVSA-N 1 1 334.420 0.074 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1cncc(C)c1 ZINC001266474656 835877316 /nfs/dbraw/zinc/87/73/16/835877316.db2.gz SSKYERUXLMCKSF-RDJZCZTQSA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cc1cncc(C)c1 ZINC001266474656 835877321 /nfs/dbraw/zinc/87/73/21/835877321.db2.gz SSKYERUXLMCKSF-RDJZCZTQSA-N 1 1 342.443 0.651 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001266489120 835888993 /nfs/dbraw/zinc/88/89/93/835888993.db2.gz XCPZPRWAYRGDBF-KBPBESRZSA-N 1 1 338.452 0.300 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccco2)C1 ZINC001266497993 835899156 /nfs/dbraw/zinc/89/91/56/835899156.db2.gz OROQKNYFJFXVIQ-KXLSMFKISA-N 1 1 329.400 0.869 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C)o2)C1 ZINC001266500113 835901563 /nfs/dbraw/zinc/90/15/63/835901563.db2.gz MDTIPMXRBPTPNH-CYBMUJFWSA-N 1 1 348.403 0.652 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C)o2)C1 ZINC001266500113 835901574 /nfs/dbraw/zinc/90/15/74/835901574.db2.gz MDTIPMXRBPTPNH-CYBMUJFWSA-N 1 1 348.403 0.652 20 30 ECEDMO N#CCSCC(=O)NC[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001266500886 835902208 /nfs/dbraw/zinc/90/22/08/835902208.db2.gz XVQJAVXSWDVXAA-STQMWFEESA-N 1 1 334.449 0.460 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001266517443 835928388 /nfs/dbraw/zinc/92/83/88/835928388.db2.gz JTUHBCJVTCEYDN-KBPBESRZSA-N 1 1 337.420 0.165 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001266519880 835932305 /nfs/dbraw/zinc/93/23/05/835932305.db2.gz AXXLZBLAIJNTOY-AWEZNQCLSA-N 1 1 347.463 0.992 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCc2ccccn2)C1 ZINC001266525505 835940283 /nfs/dbraw/zinc/94/02/83/835940283.db2.gz JELGUASPVCCVAF-AWEZNQCLSA-N 1 1 329.404 0.092 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccccn2)C1 ZINC001266525505 835940287 /nfs/dbraw/zinc/94/02/87/835940287.db2.gz JELGUASPVCCVAF-AWEZNQCLSA-N 1 1 329.404 0.092 20 30 ECEDMO CCCN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC#CCOC)C2)CC1=O ZINC001266537107 835955270 /nfs/dbraw/zinc/95/52/70/835955270.db2.gz FIEURLCWOTWRKS-CVEARBPZSA-N 1 1 335.448 0.333 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)Cc3cscn3)C2)C1=O ZINC001266537444 835956239 /nfs/dbraw/zinc/95/62/39/835956239.db2.gz LUTMSWDBFNYLQR-HIFRSBDPSA-N 1 1 348.472 0.911 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)CNC(=O)CCC(C)C)C1 ZINC001266539963 835962051 /nfs/dbraw/zinc/96/20/51/835962051.db2.gz MKKDMEIUWGROCZ-INIZCTEOSA-N 1 1 337.464 0.627 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccnc(C)n3)C2)C1=O ZINC000970896630 836018000 /nfs/dbraw/zinc/01/80/00/836018000.db2.gz VJXIOSUMIKMCRY-BLLLJJGKSA-N 1 1 343.431 0.622 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)C(C)(C)[C@H]1CCCCO1)C1CC1 ZINC001266592325 836024328 /nfs/dbraw/zinc/02/43/28/836024328.db2.gz PARWFDKAZRYXTJ-MRXNPFEDSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)C(C)(C)[C@H]1CCCCO1)C1CC1 ZINC001266592325 836024340 /nfs/dbraw/zinc/02/43/40/836024340.db2.gz PARWFDKAZRYXTJ-MRXNPFEDSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)Cc1cnccc1C)C1CC1 ZINC001266597244 836029370 /nfs/dbraw/zinc/02/93/70/836029370.db2.gz WYJCGBQSEBQKKY-UHFFFAOYSA-N 1 1 328.416 0.263 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)Cc1cnccc1C)C1CC1 ZINC001266597244 836029379 /nfs/dbraw/zinc/02/93/79/836029379.db2.gz WYJCGBQSEBQKKY-UHFFFAOYSA-N 1 1 328.416 0.263 20 30 ECEDMO CC#CC[N@@H+](CCNC(=O)C1(n2cnnn2)CCCCC1)C1CC1 ZINC001266604523 836037892 /nfs/dbraw/zinc/03/78/92/836037892.db2.gz IAMGRKOVLLSXBM-UHFFFAOYSA-N 1 1 330.436 0.936 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cc(CC)n(C)n1)C1CC1 ZINC001266622336 836058830 /nfs/dbraw/zinc/05/88/30/836058830.db2.gz ZRCNBDCTQNXRIW-CYBMUJFWSA-N 1 1 345.447 0.315 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cc(CC)n(C)n1)C1CC1 ZINC001266622336 836058842 /nfs/dbraw/zinc/05/88/42/836058842.db2.gz ZRCNBDCTQNXRIW-CYBMUJFWSA-N 1 1 345.447 0.315 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCCO ZINC001266647778 836082896 /nfs/dbraw/zinc/08/28/96/836082896.db2.gz BFXUSOUIFUGWRX-BTFYYFJDSA-N 1 1 326.437 0.434 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC2)C1 ZINC001266656289 836090875 /nfs/dbraw/zinc/09/08/75/836090875.db2.gz RLRLWEYCWBMJEH-CABCVRRESA-N 1 1 348.447 0.721 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2[nH]ccc2C)C1 ZINC001266658888 836094978 /nfs/dbraw/zinc/09/49/78/836094978.db2.gz JSVJKZZCBOQYHY-HOTGVXAUSA-N 1 1 342.443 0.999 20 30 ECEDMO CCCOCC(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266658760 836095300 /nfs/dbraw/zinc/09/53/00/836095300.db2.gz IHDKEADGBPADQR-GJZGRUSLSA-N 1 1 336.436 0.366 20 30 ECEDMO CCCOCC(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266658760 836095312 /nfs/dbraw/zinc/09/53/12/836095312.db2.gz IHDKEADGBPADQR-GJZGRUSLSA-N 1 1 336.436 0.366 20 30 ECEDMO C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001266662989 836099325 /nfs/dbraw/zinc/09/93/25/836099325.db2.gz KRQSJXIELNXSBT-CABCVRRESA-N 1 1 348.447 0.817 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ncccn2)C1 ZINC001266664144 836101499 /nfs/dbraw/zinc/10/14/99/836101499.db2.gz VSZAPRVWMWGYNP-GJZGRUSLSA-N 1 1 341.415 0.153 20 30 ECEDMO C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001266706684 836175224 /nfs/dbraw/zinc/17/52/24/836175224.db2.gz ZLYYUWTUWBVGSE-HNNXBMFYSA-N 1 1 348.451 0.140 20 30 ECEDMO N#CCSCC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001266739788 836223694 /nfs/dbraw/zinc/22/36/94/836223694.db2.gz DMRHRXGINKEGOJ-KBPBESRZSA-N 1 1 348.476 0.850 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001266744156 836229591 /nfs/dbraw/zinc/22/95/91/836229591.db2.gz WHUGGTZEEDROEL-MRXNPFEDSA-N 1 1 333.432 0.916 20 30 ECEDMO COCCOCC[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001266747752 836234146 /nfs/dbraw/zinc/23/41/46/836234146.db2.gz WPJSRVJJQAKCDX-AWEZNQCLSA-N 1 1 334.420 0.991 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2c(C)ccn2C)C1 ZINC001266747306 836235067 /nfs/dbraw/zinc/23/50/67/836235067.db2.gz PLLFORDDHRNERE-HOTGVXAUSA-N 1 1 344.459 0.913 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001266751178 836243168 /nfs/dbraw/zinc/24/31/68/836243168.db2.gz CSOXVWYFNJLLRI-HUUCEWRRSA-N 1 1 347.463 0.861 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001266754914 836249777 /nfs/dbraw/zinc/24/97/77/836249777.db2.gz IPDRWJPGZDCGLF-GFCCVEGCSA-N 1 1 333.379 0.399 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001266755709 836249849 /nfs/dbraw/zinc/24/98/49/836249849.db2.gz STUITDWCMYBKSE-CQSZACIVSA-N 1 1 347.415 0.475 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001266755709 836249860 /nfs/dbraw/zinc/24/98/60/836249860.db2.gz STUITDWCMYBKSE-CQSZACIVSA-N 1 1 347.415 0.475 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001266757580 836252627 /nfs/dbraw/zinc/25/26/27/836252627.db2.gz CTHGTYGMKYFKKE-ZDUSSCGKSA-N 1 1 331.482 0.576 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ncccn2)C1 ZINC001266763347 836266769 /nfs/dbraw/zinc/26/67/69/836266769.db2.gz CICLBIMAYHHJNH-ZIAGYGMSSA-N 1 1 329.404 0.056 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001266765078 836270580 /nfs/dbraw/zinc/27/05/80/836270580.db2.gz YPYYOGOJZIEEIJ-CYBMUJFWSA-N 1 1 331.482 0.719 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)CCCOC)C1 ZINC001279518278 836344110 /nfs/dbraw/zinc/34/41/10/836344110.db2.gz HNXLTHVGSATBIC-WMZOPIPTSA-N 1 1 340.464 0.642 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)CCCOC)C1 ZINC001279518278 836344120 /nfs/dbraw/zinc/34/41/20/836344120.db2.gz HNXLTHVGSATBIC-WMZOPIPTSA-N 1 1 340.464 0.642 20 30 ECEDMO CCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC#CCOC ZINC001266858349 836396563 /nfs/dbraw/zinc/39/65/63/836396563.db2.gz SMDLUUDOKDBYIZ-LSDHHAIUSA-N 1 1 338.452 0.444 20 30 ECEDMO CCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC#CCOC ZINC001266858349 836396575 /nfs/dbraw/zinc/39/65/75/836396575.db2.gz SMDLUUDOKDBYIZ-LSDHHAIUSA-N 1 1 338.452 0.444 20 30 ECEDMO COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1cn(C)nn1 ZINC001266859809 836396843 /nfs/dbraw/zinc/39/68/43/836396843.db2.gz QCOAPAUWVXRZGK-MRXNPFEDSA-N 1 1 333.436 0.368 20 30 ECEDMO COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1cn(C)nn1 ZINC001266859809 836396854 /nfs/dbraw/zinc/39/68/54/836396854.db2.gz QCOAPAUWVXRZGK-MRXNPFEDSA-N 1 1 333.436 0.368 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001266891369 836440647 /nfs/dbraw/zinc/44/06/47/836440647.db2.gz ORTHQCWONTUKGO-GXTWGEPZSA-N 1 1 334.420 0.904 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001266891631 836441479 /nfs/dbraw/zinc/44/14/79/836441479.db2.gz QCJAGCBVOFWGNC-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cnccc2C)C1 ZINC001266892989 836442470 /nfs/dbraw/zinc/44/24/70/836442470.db2.gz OYDUJMFLPZJFHC-HZPDHXFCSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC(=O)N2CCOCC2)C1 ZINC001266896536 836448282 /nfs/dbraw/zinc/44/82/82/836448282.db2.gz CDUDXKSGNOQAAS-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001266902915 836458252 /nfs/dbraw/zinc/45/82/52/836458252.db2.gz JZUKVDNVOZGERN-CLLBMXBRSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001266902915 836458256 /nfs/dbraw/zinc/45/82/56/836458256.db2.gz JZUKVDNVOZGERN-CLLBMXBRSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001266902918 836458542 /nfs/dbraw/zinc/45/85/42/836458542.db2.gz JZUKVDNVOZGERN-KSPMYQCISA-N 1 1 345.443 0.130 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001266902918 836458543 /nfs/dbraw/zinc/45/85/43/836458543.db2.gz JZUKVDNVOZGERN-KSPMYQCISA-N 1 1 345.443 0.130 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001266903392 836459866 /nfs/dbraw/zinc/45/98/66/836459866.db2.gz JZAKESBGYPWJDU-FIDHJVLJSA-N 1 1 348.491 0.291 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCOC1 ZINC001266905031 836462217 /nfs/dbraw/zinc/46/22/17/836462217.db2.gz YLCIPMIYOVDEJI-NPCUJANDSA-N 1 1 335.448 0.540 20 30 ECEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001283316736 836532887 /nfs/dbraw/zinc/53/28/87/836532887.db2.gz HBAQIQPVRIPJHL-UHFFFAOYSA-N 1 1 336.480 0.649 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H](C)[NH2+]Cc2cn(CC3CC3)nn2)cn1 ZINC001266985080 836565019 /nfs/dbraw/zinc/56/50/19/836565019.db2.gz GNMFJLPCCVHSMK-ZDUSSCGKSA-N 1 1 338.415 0.973 20 30 ECEDMO CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001267103520 836778058 /nfs/dbraw/zinc/77/80/58/836778058.db2.gz AFVGNIJHVZLEHA-CVEARBPZSA-N 1 1 335.448 0.427 20 30 ECEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001267103570 836780181 /nfs/dbraw/zinc/78/01/81/836780181.db2.gz BDACFCAXTNCVLO-AWEZNQCLSA-N 1 1 334.420 0.046 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]([N@@H+](C)CCCN2CCCC2=O)C1 ZINC001267104396 836781526 /nfs/dbraw/zinc/78/15/26/836781526.db2.gz BEXUMPSQKIZRQW-KRWDZBQOSA-N 1 1 349.475 0.962 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2nccn2CC)C1 ZINC001267106178 836785086 /nfs/dbraw/zinc/78/50/86/836785086.db2.gz PEAYDYMYLDWZSI-CABCVRRESA-N 1 1 345.447 0.577 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccnc(OC)n2)C1 ZINC001267108249 836791590 /nfs/dbraw/zinc/79/15/90/836791590.db2.gz NKXGQBBJBSUEPD-ZDUSSCGKSA-N 1 1 347.419 0.324 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccnc(OC)n2)C1 ZINC001267108249 836791600 /nfs/dbraw/zinc/79/16/00/836791600.db2.gz NKXGQBBJBSUEPD-ZDUSSCGKSA-N 1 1 347.419 0.324 20 30 ECEDMO COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)nn(C)c2OC)C1 ZINC001267111498 836799047 /nfs/dbraw/zinc/79/90/47/836799047.db2.gz JLRVKBDERJQGJI-HNNXBMFYSA-N 1 1 348.447 0.923 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)CCNCc2cccnc2OC)CC1 ZINC001267117745 836815300 /nfs/dbraw/zinc/81/53/00/836815300.db2.gz WOMPDSDTUXWPCZ-UHFFFAOYSA-N 1 1 344.459 0.983 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC[C@H](C)N[C@H](C)c2nncn2C)CC1 ZINC001267154440 836861637 /nfs/dbraw/zinc/86/16/37/836861637.db2.gz DBMJIOXMDAVJAT-LSDHHAIUSA-N 1 1 346.479 0.706 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc(=O)[nH]1 ZINC001267162551 836878232 /nfs/dbraw/zinc/87/82/32/836878232.db2.gz GRNFRUUWLYECAM-CYBMUJFWSA-N 1 1 345.403 0.401 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCS1(=O)=O ZINC001267181842 836933835 /nfs/dbraw/zinc/93/38/35/836933835.db2.gz OQWBKFYGKNNJRW-HUUCEWRRSA-N 1 1 326.462 0.948 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001267196863 836962911 /nfs/dbraw/zinc/96/29/11/836962911.db2.gz CULGUSYWRUZFFD-UHFFFAOYSA-N 1 1 336.436 0.234 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001267196863 836962922 /nfs/dbraw/zinc/96/29/22/836962922.db2.gz CULGUSYWRUZFFD-UHFFFAOYSA-N 1 1 336.436 0.234 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cc(C3CC3)nn2C)C1=O ZINC001267197501 836964867 /nfs/dbraw/zinc/96/48/67/836964867.db2.gz MSWLELDERXGEIW-HNNXBMFYSA-N 1 1 345.447 0.746 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cc(C3CC3)nn2C)C1=O ZINC001267197501 836964877 /nfs/dbraw/zinc/96/48/77/836964877.db2.gz MSWLELDERXGEIW-HNNXBMFYSA-N 1 1 345.447 0.746 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)COC ZINC001279597724 836966627 /nfs/dbraw/zinc/96/66/27/836966627.db2.gz OFVIHLNSFCBXBY-OAGGEKHMSA-N 1 1 326.437 0.652 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CCn3cncc3C2)C1=O ZINC001267202669 836980050 /nfs/dbraw/zinc/98/00/50/836980050.db2.gz GSLOPWNJUXAXJA-GOEBONIOSA-N 1 1 345.447 0.280 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CCn3cncc3C2)C1=O ZINC001267202669 836980060 /nfs/dbraw/zinc/98/00/60/836980060.db2.gz GSLOPWNJUXAXJA-GOEBONIOSA-N 1 1 345.447 0.280 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1cnc2ccccn2c1=O ZINC001267203304 836982146 /nfs/dbraw/zinc/98/21/46/836982146.db2.gz RZKPUHMYSDJUHY-UHFFFAOYSA-N 1 1 328.372 0.006 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1cn(-c2ccccc2)nn1 ZINC001267205096 836983118 /nfs/dbraw/zinc/98/31/18/836983118.db2.gz AUYLDFMRBMTBMZ-UHFFFAOYSA-N 1 1 327.388 0.579 20 30 ECEDMO CCO[C@@H](C(=O)NCC[N@@H+](C)CC#CCOC)C1CCOCC1 ZINC001267209072 836994141 /nfs/dbraw/zinc/99/41/41/836994141.db2.gz IRRWZABROFHVQV-MRXNPFEDSA-N 1 1 326.437 0.516 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1cnc2cnccc2c1 ZINC001267245131 837056623 /nfs/dbraw/zinc/05/66/23/837056623.db2.gz WUBVTPVXEULMLQ-UHFFFAOYSA-N 1 1 341.415 0.984 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cnc2cnccc2c1 ZINC001267245131 837056636 /nfs/dbraw/zinc/05/66/36/837056636.db2.gz WUBVTPVXEULMLQ-UHFFFAOYSA-N 1 1 341.415 0.984 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CC)CC(=O)N(CC)CC)cn1 ZINC001267255519 837077631 /nfs/dbraw/zinc/07/76/31/837077631.db2.gz JNFYZLJHKDOMAN-UHFFFAOYSA-N 1 1 330.432 0.983 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC)CC(=O)N(CC)CC)cn1 ZINC001267255519 837077643 /nfs/dbraw/zinc/07/76/43/837077643.db2.gz JNFYZLJHKDOMAN-UHFFFAOYSA-N 1 1 330.432 0.983 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001267268741 837106979 /nfs/dbraw/zinc/10/69/79/837106979.db2.gz FLAJEYZQDFNOSO-CQSZACIVSA-N 1 1 341.415 0.812 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001267268741 837106983 /nfs/dbraw/zinc/10/69/83/837106983.db2.gz FLAJEYZQDFNOSO-CQSZACIVSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccon1 ZINC001267277261 837120884 /nfs/dbraw/zinc/12/08/84/837120884.db2.gz VGCOCQRHTZLMKC-HIFRSBDPSA-N 1 1 332.404 0.326 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1ccon1 ZINC001267277261 837120886 /nfs/dbraw/zinc/12/08/86/837120886.db2.gz VGCOCQRHTZLMKC-HIFRSBDPSA-N 1 1 332.404 0.326 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)Cc2nonc2C)C1=O ZINC001267279322 837125027 /nfs/dbraw/zinc/12/50/27/837125027.db2.gz BRLSODXFOGUYDP-HIFRSBDPSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)Cc2nonc2C)C1=O ZINC001267279322 837125032 /nfs/dbraw/zinc/12/50/32/837125032.db2.gz BRLSODXFOGUYDP-HIFRSBDPSA-N 1 1 347.419 0.288 20 30 ECEDMO N#CCSCC(=O)NC[C@@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267290505 837141443 /nfs/dbraw/zinc/14/14/43/837141443.db2.gz ZNISXVGFCKQALL-QWHCGFSZSA-N 1 1 345.490 0.116 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267290457 837141814 /nfs/dbraw/zinc/14/18/14/837141814.db2.gz OGMKLRJHFGZIQK-CHWSQXEVSA-N 1 1 329.404 0.629 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001267293728 837147603 /nfs/dbraw/zinc/14/76/03/837147603.db2.gz XVIILROEQJODBG-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001267293744 837147748 /nfs/dbraw/zinc/14/77/48/837147748.db2.gz YHVSYZMJBGQNIJ-KGLIPLIRSA-N 1 1 333.436 0.471 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267299752 837162416 /nfs/dbraw/zinc/16/24/16/837162416.db2.gz ZQCDSKIQPKCQPY-CABCVRRESA-N 1 1 344.477 0.452 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267299754 837162503 /nfs/dbraw/zinc/16/25/03/837162503.db2.gz ZQCDSKIQPKCQPY-GJZGRUSLSA-N 1 1 344.477 0.452 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001267302741 837168115 /nfs/dbraw/zinc/16/81/15/837168115.db2.gz HKRYDKBASZXSQV-WBVHZDCISA-N 1 1 347.463 0.829 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnc(CC)s2)C1 ZINC001267308898 837182603 /nfs/dbraw/zinc/18/26/03/837182603.db2.gz HOGCTCDUIZHIHS-OLZOCXBDSA-N 1 1 348.472 0.895 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnc(CC)s2)C1 ZINC001267308896 837182966 /nfs/dbraw/zinc/18/29/66/837182966.db2.gz HOGCTCDUIZHIHS-CHWSQXEVSA-N 1 1 348.472 0.895 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC001267310573 837186283 /nfs/dbraw/zinc/18/62/83/837186283.db2.gz YFRRYHWHRAGEGJ-AWEZNQCLSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1c(F)cncc1F ZINC001267313963 837189315 /nfs/dbraw/zinc/18/93/15/837189315.db2.gz CQNYXPLMEHIUQM-UHFFFAOYSA-N 1 1 338.358 0.551 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1c(F)cncc1F ZINC001267313963 837189318 /nfs/dbraw/zinc/18/93/18/837189318.db2.gz CQNYXPLMEHIUQM-UHFFFAOYSA-N 1 1 338.358 0.551 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCNC(=O)c2cc(C)ncn2)C2CC2)C1=O ZINC001267325638 837203777 /nfs/dbraw/zinc/20/37/77/837203777.db2.gz HTNVULRQLOCNNE-INIZCTEOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCNC(=O)c2cc(C)ncn2)C2CC2)C1=O ZINC001267325638 837203785 /nfs/dbraw/zinc/20/37/85/837203785.db2.gz HTNVULRQLOCNNE-INIZCTEOSA-N 1 1 343.431 0.766 20 30 ECEDMO Cc1cc(C)nc(C(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)c1 ZINC001267328039 837209136 /nfs/dbraw/zinc/20/91/36/837209136.db2.gz JGWSSXYYTMIXSH-UHFFFAOYSA-N 1 1 329.404 0.532 20 30 ECEDMO Cc1cc(C)nc(C(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)c1 ZINC001267328039 837209145 /nfs/dbraw/zinc/20/91/45/837209145.db2.gz JGWSSXYYTMIXSH-UHFFFAOYSA-N 1 1 329.404 0.532 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CCO[C@H]1CC)C1CC1 ZINC001267329945 837210732 /nfs/dbraw/zinc/21/07/32/837210732.db2.gz VAYAXXZQKPIMQG-IMJJTQAJSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@@H]1CCO[C@H]1CC)C1CC1 ZINC001267329945 837210739 /nfs/dbraw/zinc/21/07/39/837210739.db2.gz VAYAXXZQKPIMQG-IMJJTQAJSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1ncsc1C1CC1)C1CC1 ZINC001267332771 837213845 /nfs/dbraw/zinc/21/38/45/837213845.db2.gz IXTVJQUOYWSWTP-UHFFFAOYSA-N 1 1 346.456 0.964 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1ncsc1C1CC1)C1CC1 ZINC001267332771 837213849 /nfs/dbraw/zinc/21/38/49/837213849.db2.gz IXTVJQUOYWSWTP-UHFFFAOYSA-N 1 1 346.456 0.964 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C[C@H]1CCc2ncnn21)C1CC1 ZINC001267333426 837215639 /nfs/dbraw/zinc/21/56/39/837215639.db2.gz ZUVFYZRCSLIDBK-OAGGEKHMSA-N 1 1 345.447 0.937 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1[nH]cnc1CC)C1CC1 ZINC001267337157 837222414 /nfs/dbraw/zinc/22/24/14/837222414.db2.gz JICPXSYHFZWUAC-LBPRGKRZSA-N 1 1 331.420 0.304 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1[nH]cnc1CC)C1CC1 ZINC001267337157 837222422 /nfs/dbraw/zinc/22/24/22/837222422.db2.gz JICPXSYHFZWUAC-LBPRGKRZSA-N 1 1 331.420 0.304 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001279237556 837244697 /nfs/dbraw/zinc/24/46/97/837244697.db2.gz ZJNUTVDSKFSIAZ-QDMKHBRRSA-N 1 1 346.431 0.263 20 30 ECEDMO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC001267399770 837362826 /nfs/dbraw/zinc/36/28/26/837362826.db2.gz OMWILYQAFZTBKU-UHFFFAOYSA-N 1 1 340.387 0.378 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001267582044 837847201 /nfs/dbraw/zinc/84/72/01/837847201.db2.gz VFURRUWPVTXOIM-ZIAGYGMSSA-N 1 1 341.415 0.418 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N2CCCC2)C1 ZINC001267583766 837851834 /nfs/dbraw/zinc/85/18/34/837851834.db2.gz VMDAXPVZJBVRFK-HOTGVXAUSA-N 1 1 335.448 0.427 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnon2)C1 ZINC001267590558 837878432 /nfs/dbraw/zinc/87/84/32/837878432.db2.gz TZIIDJORDCXAML-HOCLYGCPSA-N 1 1 349.435 0.821 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cnon2)C1 ZINC001267590558 837878441 /nfs/dbraw/zinc/87/84/41/837878441.db2.gz TZIIDJORDCXAML-HOCLYGCPSA-N 1 1 349.435 0.821 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)c2cccnc2)C1 ZINC001267596116 837899727 /nfs/dbraw/zinc/89/97/27/837899727.db2.gz WUQQPMYGMJZZIK-CVEARBPZSA-N 1 1 342.443 0.763 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2cnn3cc[nH]c23)C1 ZINC001267596149 837900339 /nfs/dbraw/zinc/90/03/39/837900339.db2.gz XKEOQARDGBGIMH-CQSZACIVSA-N 1 1 329.404 0.754 20 30 ECEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)CNS(=O)(=O)CC)CC1 ZINC001267599540 837912395 /nfs/dbraw/zinc/91/23/95/837912395.db2.gz SSIDDMCHTOWICM-UHFFFAOYSA-N 1 1 331.482 0.672 20 30 ECEDMO C=CC[N@H+](C)CC1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC001267599745 837913520 /nfs/dbraw/zinc/91/35/20/837913520.db2.gz ARKCIWYYTGRAGM-UHFFFAOYSA-N 1 1 343.431 0.852 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CCNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001267602210 837925939 /nfs/dbraw/zinc/92/59/39/837925939.db2.gz XCOZGLJQHLWJJB-LBPRGKRZSA-N 1 1 325.372 0.805 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001267602770 837928033 /nfs/dbraw/zinc/92/80/33/837928033.db2.gz GPDRMWBCEMELFJ-QGZVFWFLSA-N 1 1 339.411 0.035 20 30 ECEDMO CC[C@@H](C)OCC(=O)N(C)CC[NH+]1CCN(CC#CCOC)CC1 ZINC001267606423 837946529 /nfs/dbraw/zinc/94/65/29/837946529.db2.gz YJIZWAVAPZJQQQ-QGZVFWFLSA-N 1 1 339.480 0.527 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001267613858 837987028 /nfs/dbraw/zinc/98/70/28/837987028.db2.gz XJKVMQZUYBTTRO-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001267613858 837987035 /nfs/dbraw/zinc/98/70/35/837987035.db2.gz XJKVMQZUYBTTRO-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001267615854 838000138 /nfs/dbraw/zinc/00/01/38/838000138.db2.gz MBTGNKPLDYUEIU-HZPDHXFCSA-N 1 1 345.447 0.461 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001267615854 838000144 /nfs/dbraw/zinc/00/01/44/838000144.db2.gz MBTGNKPLDYUEIU-HZPDHXFCSA-N 1 1 345.447 0.461 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001267619378 838055957 /nfs/dbraw/zinc/05/59/57/838055957.db2.gz JVPBSVCDHXDZHO-AEFFLSMTSA-N 1 1 335.448 0.475 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001267619378 838055972 /nfs/dbraw/zinc/05/59/72/838055972.db2.gz JVPBSVCDHXDZHO-AEFFLSMTSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001267625132 838070969 /nfs/dbraw/zinc/07/09/69/838070969.db2.gz UVMIHCKRDDNOBQ-SUMWQHHRSA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001267625132 838070978 /nfs/dbraw/zinc/07/09/78/838070978.db2.gz UVMIHCKRDDNOBQ-SUMWQHHRSA-N 1 1 325.453 0.809 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC001267624833 838073163 /nfs/dbraw/zinc/07/31/63/838073163.db2.gz DCUMWACIYSUSTF-HUUCEWRRSA-N 1 1 328.416 0.613 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 ZINC001267625435 838074158 /nfs/dbraw/zinc/07/41/58/838074158.db2.gz KHLJUSHPTRFNFK-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001267625569 838074654 /nfs/dbraw/zinc/07/46/54/838074654.db2.gz NIXPEACCIOSNEX-LBPRGKRZSA-N 1 1 336.823 0.811 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)CSC)C1 ZINC001267638120 838112690 /nfs/dbraw/zinc/11/26/90/838112690.db2.gz JKSKEMOXYRPUFI-UONOGXRCSA-N 1 1 325.478 0.515 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)nn2)C1 ZINC001267646688 838131021 /nfs/dbraw/zinc/13/10/21/838131021.db2.gz RGPMFQWBMGBSDO-LSDHHAIUSA-N 1 1 345.447 0.870 20 30 ECEDMO N#CCNC(=O)CN1CC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001267656910 838168932 /nfs/dbraw/zinc/16/89/32/838168932.db2.gz ZZPYFXLCOXSMKV-MRXNPFEDSA-N 1 1 347.463 0.224 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001267670722 838204885 /nfs/dbraw/zinc/20/48/85/838204885.db2.gz PDFNUHYFOLFULL-IRXDYDNUSA-N 1 1 349.475 0.816 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001267682834 838242574 /nfs/dbraw/zinc/24/25/74/838242574.db2.gz NZJRZMUBRJNJRU-UHFFFAOYSA-N 1 1 330.388 0.351 20 30 ECEDMO CCCN1C[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)CC#CCOC)C2)CC1=O ZINC001267691181 838261843 /nfs/dbraw/zinc/26/18/43/838261843.db2.gz VKYKBKZRVASHEI-SJORKVTESA-N 1 1 349.475 0.675 20 30 ECEDMO Cc1noc(C)c1CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001267708380 838315990 /nfs/dbraw/zinc/31/59/90/838315990.db2.gz LVOAZHZMYJMISO-AWEZNQCLSA-N 1 1 347.419 0.254 20 30 ECEDMO CC(C)(C)N1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CSCC#N)C2)C1=O ZINC001267718790 838370849 /nfs/dbraw/zinc/37/08/49/838370849.db2.gz IUUWLSBZYDAMQQ-STQMWFEESA-N 1 1 338.477 0.833 20 30 ECEDMO CC(C)(C)N1CC[C@H]([N@H+]2CC[C@H](NC(=O)CSCC#N)C2)C1=O ZINC001267718790 838370857 /nfs/dbraw/zinc/37/08/57/838370857.db2.gz IUUWLSBZYDAMQQ-STQMWFEESA-N 1 1 338.477 0.833 20 30 ECEDMO CC(C)(C)N1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CSCC#N)C2)C1=O ZINC001267718788 838370882 /nfs/dbraw/zinc/37/08/82/838370882.db2.gz IUUWLSBZYDAMQQ-QWHCGFSZSA-N 1 1 338.477 0.833 20 30 ECEDMO CC(C)(C)N1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CSCC#N)C2)C1=O ZINC001267718788 838370893 /nfs/dbraw/zinc/37/08/93/838370893.db2.gz IUUWLSBZYDAMQQ-QWHCGFSZSA-N 1 1 338.477 0.833 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@H](O)C(C)C)CC1 ZINC001267724229 838382961 /nfs/dbraw/zinc/38/29/61/838382961.db2.gz BZSOCEYIXWDFOI-GOEBONIOSA-N 1 1 337.464 0.312 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C[N@H+](C)Cc2cnnn2C)CC1 ZINC001267724836 838391414 /nfs/dbraw/zinc/39/14/14/838391414.db2.gz OONFPCBLPCFNKS-QGZVFWFLSA-N 1 1 335.452 0.813 20 30 ECEDMO C[N@@H+](C[C@H](O)Cn1cccn1)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001267729826 838415363 /nfs/dbraw/zinc/41/53/63/838415363.db2.gz HKFCHXPILRNAHJ-SFHVURJKSA-N 1 1 344.459 0.828 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)c2c(C)cnn2C)CC1 ZINC001267740136 838439363 /nfs/dbraw/zinc/43/93/63/838439363.db2.gz VETFVCWWFLRHAJ-UHFFFAOYSA-N 1 1 347.463 0.815 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)CC2)C1 ZINC001267741485 838441744 /nfs/dbraw/zinc/44/17/44/838441744.db2.gz AEFTZEXDPRNUKN-MRXNPFEDSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC001267741485 838441746 /nfs/dbraw/zinc/44/17/46/838441746.db2.gz AEFTZEXDPRNUKN-MRXNPFEDSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001267746765 838452691 /nfs/dbraw/zinc/45/26/91/838452691.db2.gz VCMKRYQUFAVQMG-OAHLLOKOSA-N 1 1 342.403 0.669 20 30 ECEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001267753087 838474576 /nfs/dbraw/zinc/47/45/76/838474576.db2.gz ZWYKOGXOLQJVQW-HNNXBMFYSA-N 1 1 338.452 0.113 20 30 ECEDMO Cc1cc(C(=O)N2CCC(C[N@H+](C)CC(=O)NCC#N)CC2)ccn1 ZINC001267752819 838475320 /nfs/dbraw/zinc/47/53/20/838475320.db2.gz SQOLRNMDWCSBCE-UHFFFAOYSA-N 1 1 343.431 0.814 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001267753644 838476267 /nfs/dbraw/zinc/47/62/67/838476267.db2.gz APHDETSADCWBNH-CQSZACIVSA-N 1 1 338.839 0.994 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001267753644 838476268 /nfs/dbraw/zinc/47/62/68/838476268.db2.gz APHDETSADCWBNH-CQSZACIVSA-N 1 1 338.839 0.994 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2ccnc(C)n2)CC1 ZINC001267758180 838484579 /nfs/dbraw/zinc/48/45/79/838484579.db2.gz JONYXJNMKOKKAA-UHFFFAOYSA-N 1 1 345.447 0.871 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001267761168 838487732 /nfs/dbraw/zinc/48/77/32/838487732.db2.gz CDYAYZPROOQCHI-LSDHHAIUSA-N 1 1 331.420 0.338 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnnn2CC)C1 ZINC001267761463 838490129 /nfs/dbraw/zinc/49/01/29/838490129.db2.gz ICOTZMUYXBTZAZ-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnnn2CC)C1 ZINC001267761463 838490133 /nfs/dbraw/zinc/49/01/33/838490133.db2.gz ICOTZMUYXBTZAZ-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267773412 838531538 /nfs/dbraw/zinc/53/15/38/838531538.db2.gz MYKSKLWLALZNDG-KGLIPLIRSA-N 1 1 344.415 0.380 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267773412 838531545 /nfs/dbraw/zinc/53/15/45/838531545.db2.gz MYKSKLWLALZNDG-KGLIPLIRSA-N 1 1 344.415 0.380 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2cccs2)C1 ZINC001267776545 838542814 /nfs/dbraw/zinc/54/28/14/838542814.db2.gz CFRDQAMVFFGSOJ-AWEZNQCLSA-N 1 1 349.456 0.660 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2cccs2)C1 ZINC001267776545 838542820 /nfs/dbraw/zinc/54/28/20/838542820.db2.gz CFRDQAMVFFGSOJ-AWEZNQCLSA-N 1 1 349.456 0.660 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccn2CC)C1 ZINC001267778170 838544731 /nfs/dbraw/zinc/54/47/31/838544731.db2.gz WCJUFWJYAGIMLP-HUUCEWRRSA-N 1 1 330.432 0.792 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccn2CC)C1 ZINC001267778170 838544739 /nfs/dbraw/zinc/54/47/39/838544739.db2.gz WCJUFWJYAGIMLP-HUUCEWRRSA-N 1 1 330.432 0.792 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCCn2ccnc2)C1 ZINC001267779516 838549052 /nfs/dbraw/zinc/54/90/52/838549052.db2.gz RTFNEVHJBLJGAG-HNNXBMFYSA-N 1 1 333.436 0.498 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCCn2ccnc2)C1 ZINC001267779516 838549057 /nfs/dbraw/zinc/54/90/57/838549057.db2.gz RTFNEVHJBLJGAG-HNNXBMFYSA-N 1 1 333.436 0.498 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCCOC(C)C)C1 ZINC001267779214 838550165 /nfs/dbraw/zinc/55/01/65/838550165.db2.gz PLUIQNZYTIUJRR-HOTGVXAUSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCCOC(C)C)C1 ZINC001267779214 838550171 /nfs/dbraw/zinc/55/01/71/838550171.db2.gz PLUIQNZYTIUJRR-HOTGVXAUSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CCCCO2)C1 ZINC001267785732 838561369 /nfs/dbraw/zinc/56/13/69/838561369.db2.gz QGDLMSWANIZHKO-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CCCCO2)C1 ZINC001267785732 838561374 /nfs/dbraw/zinc/56/13/74/838561374.db2.gz QGDLMSWANIZHKO-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)NC(=O)CC)C1 ZINC001267785868 838562372 /nfs/dbraw/zinc/56/23/72/838562372.db2.gz IFRBJMGEGDIMOL-ZIAGYGMSSA-N 1 1 338.452 0.126 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)NC(=O)CC)C1 ZINC001267785868 838562375 /nfs/dbraw/zinc/56/23/75/838562375.db2.gz IFRBJMGEGDIMOL-ZIAGYGMSSA-N 1 1 338.452 0.126 20 30 ECEDMO CCN(C(=O)CCCNC(=O)C1CC1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267786132 838562932 /nfs/dbraw/zinc/56/29/32/838562932.db2.gz JPBSKHWTYPCWNY-QGZVFWFLSA-N 1 1 349.475 0.865 20 30 ECEDMO CCN(C(=O)c1cnc2[n-]nnc2c1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267787088 838563403 /nfs/dbraw/zinc/56/34/03/838563403.db2.gz VGPLDCUGHQGGSY-AWEZNQCLSA-N 1 1 342.403 0.539 20 30 ECEDMO CCN(C(=O)c1cnc2n[nH]nc2c1)[C@H]1CCN(CC#CCOC)C1 ZINC001267787088 838563406 /nfs/dbraw/zinc/56/34/06/838563406.db2.gz VGPLDCUGHQGGSY-AWEZNQCLSA-N 1 1 342.403 0.539 20 30 ECEDMO CCN(C(=O)c1cnc2n[nH]nc2c1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267787088 838563411 /nfs/dbraw/zinc/56/34/11/838563411.db2.gz VGPLDCUGHQGGSY-AWEZNQCLSA-N 1 1 342.403 0.539 20 30 ECEDMO CCN(C(=O)c1cnc2n[nH]nc2c1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267787088 838563413 /nfs/dbraw/zinc/56/34/13/838563413.db2.gz VGPLDCUGHQGGSY-AWEZNQCLSA-N 1 1 342.403 0.539 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CCCn2ccnc2)C1 ZINC001267794944 838574382 /nfs/dbraw/zinc/57/43/82/838574382.db2.gz STDYTISBDNIARC-MRXNPFEDSA-N 1 1 345.447 0.336 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCCn2ccnc2)C1 ZINC001267794944 838574389 /nfs/dbraw/zinc/57/43/89/838574389.db2.gz STDYTISBDNIARC-MRXNPFEDSA-N 1 1 345.447 0.336 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CCCn2ccnc2)C1 ZINC001267794943 838574643 /nfs/dbraw/zinc/57/46/43/838574643.db2.gz STDYTISBDNIARC-INIZCTEOSA-N 1 1 345.447 0.336 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CCCn2ccnc2)C1 ZINC001267794943 838574648 /nfs/dbraw/zinc/57/46/48/838574648.db2.gz STDYTISBDNIARC-INIZCTEOSA-N 1 1 345.447 0.336 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1cc(CCC)[nH]n1 ZINC001267960611 838873235 /nfs/dbraw/zinc/87/32/35/838873235.db2.gz JMKBMVACTHODDO-DZGCQCFKSA-N 1 1 345.447 0.694 20 30 ECEDMO C=CCCC(=O)N1CCC2(CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001267972312 838902440 /nfs/dbraw/zinc/90/24/40/838902440.db2.gz AKFGDSDTZIIZLA-ZDUSSCGKSA-N 1 1 336.436 0.851 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1C[N@H+](CC[C@@H]2CCCCO2)CCO1 ZINC001268022326 839000410 /nfs/dbraw/zinc/00/04/10/839000410.db2.gz PALUQVXFWSMACR-IRXDYDNUSA-N 1 1 338.448 0.803 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1C[N@@H+](CC[C@@H]2CCCCO2)CCO1 ZINC001268022326 839000423 /nfs/dbraw/zinc/00/04/23/839000423.db2.gz PALUQVXFWSMACR-IRXDYDNUSA-N 1 1 338.448 0.803 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001268022595 839001796 /nfs/dbraw/zinc/00/17/96/839001796.db2.gz VEPJTQRNNZUBEO-CQSZACIVSA-N 1 1 333.436 0.939 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001268023977 839011017 /nfs/dbraw/zinc/01/10/17/839011017.db2.gz UQMPXJNAOUEOTC-MRXNPFEDSA-N 1 1 326.400 0.946 20 30 ECEDMO C#CCC[N@H+]1CCO[C@H](CNC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001268023977 839011028 /nfs/dbraw/zinc/01/10/28/839011028.db2.gz UQMPXJNAOUEOTC-MRXNPFEDSA-N 1 1 326.400 0.946 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCCN(C(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001408904795 839237726 /nfs/dbraw/zinc/23/77/26/839237726.db2.gz MFYSGTUDFSHBPU-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000174605511 529787347 /nfs/dbraw/zinc/78/73/47/529787347.db2.gz QLQWJALPXJQHBA-INIZCTEOSA-N 1 1 332.379 0.677 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000174605511 529787348 /nfs/dbraw/zinc/78/73/48/529787348.db2.gz QLQWJALPXJQHBA-INIZCTEOSA-N 1 1 332.379 0.677 20 30 ECEDMO Cc1nc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1C#N ZINC000178150148 232095372 /nfs/dbraw/zinc/09/53/72/232095372.db2.gz SGSRUAKMFYYXDI-INIZCTEOSA-N 1 1 341.415 0.640 20 30 ECEDMO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000329675686 291003136 /nfs/dbraw/zinc/00/31/36/291003136.db2.gz ULZSXINSEHCELX-IACUBPJLSA-N 1 1 329.466 0.940 20 30 ECEDMO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000329675686 291003140 /nfs/dbraw/zinc/00/31/40/291003140.db2.gz ULZSXINSEHCELX-IACUBPJLSA-N 1 1 329.466 0.940 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2C(F)(F)F)C1 ZINC001077932729 781961169 /nfs/dbraw/zinc/96/11/69/781961169.db2.gz BZMAMPLKSCRQIZ-CHWSQXEVSA-N 1 1 327.306 0.899 20 30 ECEDMO N#Cc1cnc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000450303830 211317404 /nfs/dbraw/zinc/31/74/04/211317404.db2.gz JWSNYHPIYLOZFJ-LBPRGKRZSA-N 1 1 332.364 0.861 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000336916415 285002459 /nfs/dbraw/zinc/00/24/59/285002459.db2.gz NGJMVFBRNJLWFO-LSDHHAIUSA-N 1 1 346.497 0.659 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000336916415 285002461 /nfs/dbraw/zinc/00/24/61/285002461.db2.gz NGJMVFBRNJLWFO-LSDHHAIUSA-N 1 1 346.497 0.659 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+](C)C1 ZINC000413601604 208346207 /nfs/dbraw/zinc/34/62/07/208346207.db2.gz HVIKHCJTIQHACC-CQSZACIVSA-N 1 1 348.378 0.944 20 30 ECEDMO CN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000131890805 254497984 /nfs/dbraw/zinc/49/79/84/254497984.db2.gz ZZYFDJWEQLAJMF-UHFFFAOYSA-N 1 1 344.415 0.912 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000180623970 254507816 /nfs/dbraw/zinc/50/78/16/254507816.db2.gz JIKLYUPWTSNHAH-IAGOWNOFSA-N 1 1 333.480 0.459 20 30 ECEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000286388184 254564170 /nfs/dbraw/zinc/56/41/70/254564170.db2.gz ZKIGUPMVGAUTPJ-UHFFFAOYSA-N 1 1 339.417 0.625 20 30 ECEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000286388184 254564172 /nfs/dbraw/zinc/56/41/72/254564172.db2.gz ZKIGUPMVGAUTPJ-UHFFFAOYSA-N 1 1 339.417 0.625 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCNC2=O)c(OC)c1 ZINC000340224932 254676281 /nfs/dbraw/zinc/67/62/81/254676281.db2.gz DMDNKOITGMPXHR-CABCVRRESA-N 1 1 334.416 0.984 20 30 ECEDMO C#C[C@@H](C)N(C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000491231663 254903986 /nfs/dbraw/zinc/90/39/86/254903986.db2.gz VGSOTCKKBGLVBP-OAHLLOKOSA-N 1 1 330.436 0.652 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1F ZINC000192014409 165038387 /nfs/dbraw/zinc/03/83/87/165038387.db2.gz SIBBEMOHOKWKGW-LBPRGKRZSA-N 1 1 326.397 0.702 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1F ZINC000192014409 165038392 /nfs/dbraw/zinc/03/83/92/165038392.db2.gz SIBBEMOHOKWKGW-LBPRGKRZSA-N 1 1 326.397 0.702 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000247985006 165167848 /nfs/dbraw/zinc/16/78/48/165167848.db2.gz ITCYBWNXZPLIKU-QZTJIDSGSA-N 1 1 342.443 0.830 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000123305944 222252558 /nfs/dbraw/zinc/25/25/58/222252558.db2.gz CNXCCGFSSWQDAX-KGLIPLIRSA-N 1 1 343.435 0.663 20 30 ECEDMO C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001077963024 782024533 /nfs/dbraw/zinc/02/45/33/782024533.db2.gz DYSJQGVNORJONV-JKSUJKDBSA-N 1 1 337.464 0.910 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000269583589 263190213 /nfs/dbraw/zinc/19/02/13/263190213.db2.gz QOTNWOPWWMFLHL-UHFFFAOYSA-N 1 1 331.401 0.803 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000270152141 263224284 /nfs/dbraw/zinc/22/42/84/263224284.db2.gz GOKZHQSADVKIQP-UHFFFAOYSA-N 1 1 344.415 0.532 20 30 ECEDMO Cn1c(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C#N)c(=O)n(C)c1=O ZINC000270273802 263231639 /nfs/dbraw/zinc/23/16/39/263231639.db2.gz KUUPYFMOVOVWMP-CABCVRRESA-N 1 1 339.399 0.813 20 30 ECEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000271754690 263327942 /nfs/dbraw/zinc/32/79/42/263327942.db2.gz CMZMRAVUQMDJJR-ZDUSSCGKSA-N 1 1 341.415 0.888 20 30 ECEDMO C[N@H+]1CCN(CCNS(=O)(=O)c2ccccc2C#N)CC1(C)C ZINC000282424485 264042701 /nfs/dbraw/zinc/04/27/01/264042701.db2.gz FRLOLIMUAHJTJQ-UHFFFAOYSA-N 1 1 336.461 0.863 20 30 ECEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283830188 264156026 /nfs/dbraw/zinc/15/60/26/264156026.db2.gz DVEARDZOVRBNKL-BBRMVZONSA-N 1 1 328.416 0.973 20 30 ECEDMO C[C@@](O)(CNC(=O)COc1ccccc1C#N)C[NH+]1CCOCC1 ZINC000343543325 267115184 /nfs/dbraw/zinc/11/51/84/267115184.db2.gz GQJFVBJPHAMWBT-QGZVFWFLSA-N 1 1 333.388 0.136 20 30 ECEDMO C[C@H](O)C[N@H+](CCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000289985734 267189200 /nfs/dbraw/zinc/18/92/00/267189200.db2.gz YADSYGVSTYXWOA-ZDUSSCGKSA-N 1 1 343.387 0.358 20 30 ECEDMO C[C@H](O)C[N@@H+](CCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000289985734 267189202 /nfs/dbraw/zinc/18/92/02/267189202.db2.gz YADSYGVSTYXWOA-ZDUSSCGKSA-N 1 1 343.387 0.358 20 30 ECEDMO Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ncc1C#N ZINC000333292298 267320582 /nfs/dbraw/zinc/32/05/82/267320582.db2.gz AMGVQFVNFHIMRA-MRXNPFEDSA-N 1 1 341.415 0.640 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000300708435 268203548 /nfs/dbraw/zinc/20/35/48/268203548.db2.gz XCNDJRKXDRXWEZ-WDEREUQCSA-N 1 1 327.431 0.761 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000300708435 268203552 /nfs/dbraw/zinc/20/35/52/268203552.db2.gz XCNDJRKXDRXWEZ-WDEREUQCSA-N 1 1 327.431 0.761 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000375841826 268262698 /nfs/dbraw/zinc/26/26/98/268262698.db2.gz PBDAHHLZTBAINT-HZPDHXFCSA-N 1 1 342.399 0.554 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000528451469 268302664 /nfs/dbraw/zinc/30/26/64/268302664.db2.gz RVJSYADPSWSEBF-JKSUJKDBSA-N 1 1 344.415 0.834 20 30 ECEDMO C[NH+]=C(NCCc1c[nH]c2ccccc12)NC[C@@H]1CN2CCN1CC2 ZINC000262765643 273481549 /nfs/dbraw/zinc/48/15/49/273481549.db2.gz KSHAVDURAMFBFB-MRXNPFEDSA-N 1 1 340.475 0.875 20 30 ECEDMO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH2+][C@H](C(N)=O)C1 ZINC000376088708 274930071 /nfs/dbraw/zinc/93/00/71/274930071.db2.gz MQZUOZBDZDOFNT-JTQLQIEISA-N 1 1 335.289 0.787 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000491494230 275380176 /nfs/dbraw/zinc/38/01/76/275380176.db2.gz BLJRBTOLEPBRGJ-BBRMVZONSA-N 1 1 331.420 0.011 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000329792535 288114413 /nfs/dbraw/zinc/11/44/13/288114413.db2.gz AGZMDPBOSJOAGA-CZXHOFHRSA-N 1 1 329.466 0.891 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000329792535 288114414 /nfs/dbraw/zinc/11/44/14/288114414.db2.gz AGZMDPBOSJOAGA-CZXHOFHRSA-N 1 1 329.466 0.891 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000329804530 288115127 /nfs/dbraw/zinc/11/51/27/288115127.db2.gz MCAPVGGIQSREFO-BZPMIXESSA-N 1 1 344.481 0.397 20 30 ECEDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000291045290 279367064 /nfs/dbraw/zinc/36/70/64/279367064.db2.gz PUIHQCVXCYLBJL-DKASORFFSA-N 1 1 337.424 0.541 20 30 ECEDMO C=CCC[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)CC(=O)OC(C)(C)C)C1 ZINC000340219788 437608391 /nfs/dbraw/zinc/60/83/91/437608391.db2.gz KSMMLNYVUFAYIN-KKUMJFAQSA-N 1 1 328.453 0.632 20 30 ECEDMO C[C@H](O)CN1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000329280674 290086695 /nfs/dbraw/zinc/08/66/95/290086695.db2.gz MEGKAVUFWGLGLF-IJEWVQPXSA-N 1 1 344.525 0.725 20 30 ECEDMO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCCS3(=O)=O)[C@@H]2C1 ZINC000329687466 290147289 /nfs/dbraw/zinc/14/72/89/290147289.db2.gz AMWAGADWZKVPFO-HZSPNIEDSA-N 1 1 329.466 0.894 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCCS3(=O)=O)[C@@H]2C1 ZINC000329687466 290147290 /nfs/dbraw/zinc/14/72/90/290147290.db2.gz AMWAGADWZKVPFO-HZSPNIEDSA-N 1 1 329.466 0.894 20 30 ECEDMO C=CCNC(=O)NC(=O)CN[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000190004710 437618002 /nfs/dbraw/zinc/61/80/02/437618002.db2.gz KBSXBWMLAOTSFC-HUUCEWRRSA-N 1 1 340.468 0.725 20 30 ECEDMO CC(=O)NCc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000330816164 437622099 /nfs/dbraw/zinc/62/20/99/437622099.db2.gz GDGQLSMRMQSRMU-INIZCTEOSA-N 1 1 333.436 0.894 20 30 ECEDMO COC(=O)CCNC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000076199752 436195646 /nfs/dbraw/zinc/19/56/46/436195646.db2.gz WCZJVMAJSMODMY-UHFFFAOYSA-N 1 1 344.415 0.750 20 30 ECEDMO COC(=O)CCNC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000076199752 436195648 /nfs/dbraw/zinc/19/56/48/436195648.db2.gz WCZJVMAJSMODMY-UHFFFAOYSA-N 1 1 344.415 0.750 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C[C@@H]3CCCO3)CC2)o1 ZINC000076297833 436198819 /nfs/dbraw/zinc/19/88/19/436198819.db2.gz XNTZSWFTIPSAPH-AWEZNQCLSA-N 1 1 347.419 0.614 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)C[C@@H]3CCCO3)CC2)o1 ZINC000076297833 436198826 /nfs/dbraw/zinc/19/88/26/436198826.db2.gz XNTZSWFTIPSAPH-AWEZNQCLSA-N 1 1 347.419 0.614 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000079977531 436309315 /nfs/dbraw/zinc/30/93/15/436309315.db2.gz YEJMLPDOEVCASE-HUUCEWRRSA-N 1 1 343.493 0.837 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000049278449 436467268 /nfs/dbraw/zinc/46/72/68/436467268.db2.gz SDJSLLMMJYTQIR-UHFFFAOYSA-N 1 1 329.404 0.250 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)Nc2cnccn2)CC1 ZINC000047630386 436427368 /nfs/dbraw/zinc/42/73/68/436427368.db2.gz WWXNIFNGTYKHHC-UHFFFAOYSA-N 1 1 346.391 0.139 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1Cl ZINC000051105949 436482892 /nfs/dbraw/zinc/48/28/92/436482892.db2.gz JWVPQOYLGOFVIM-CYBMUJFWSA-N 1 1 336.779 0.726 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](C(N)=O)C2)cc1Cl ZINC000051105949 436482895 /nfs/dbraw/zinc/48/28/95/436482895.db2.gz JWVPQOYLGOFVIM-CYBMUJFWSA-N 1 1 336.779 0.726 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000096006801 436502874 /nfs/dbraw/zinc/50/28/74/436502874.db2.gz YATUHVUKZKWQHX-OAHLLOKOSA-N 1 1 340.493 0.722 20 30 ECEDMO N#Cc1cccc(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000104788103 436562333 /nfs/dbraw/zinc/56/23/33/436562333.db2.gz AMVYJUHWJSFZRW-INIZCTEOSA-N 1 1 343.431 0.945 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000054989803 436563435 /nfs/dbraw/zinc/56/34/35/436563435.db2.gz YZDOJMVNVHMJQY-MRXNPFEDSA-N 1 1 345.447 0.881 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)CC1 ZINC000115384781 436647179 /nfs/dbraw/zinc/64/71/79/436647179.db2.gz TVXSNLINBUCYGX-OAHLLOKOSA-N 1 1 341.415 0.579 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N(CCN(C)C)CC[NH+](C)C ZINC000114739727 436643049 /nfs/dbraw/zinc/64/30/49/436643049.db2.gz AOXWYTGRNHWDBU-UHFFFAOYSA-N 1 1 338.477 0.981 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2OC)CC1 ZINC000547418505 302257519 /nfs/dbraw/zinc/25/75/19/302257519.db2.gz XXGUTYDPXKAZJY-UHFFFAOYSA-N 1 1 345.403 0.899 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000064443579 436649306 /nfs/dbraw/zinc/64/93/06/436649306.db2.gz WDKPNHMKOWCDEH-HNNXBMFYSA-N 1 1 329.400 0.796 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCN(CC(=O)N(CCC#N)CCC#N)CC2)CCO1 ZINC000066561871 436689401 /nfs/dbraw/zinc/68/94/01/436689401.db2.gz CEDQOKTUDFLMFB-MRXNPFEDSA-N 1 1 347.463 0.827 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N[C@H](C(=O)NC)c2ccccc2)CC1 ZINC000272005836 436701289 /nfs/dbraw/zinc/70/12/89/436701289.db2.gz JCLVUXNUVVGDOA-SFHVURJKSA-N 1 1 342.443 0.231 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000121877581 436728668 /nfs/dbraw/zinc/72/86/68/436728668.db2.gz DCFKNLYWXIQXCO-AWEZNQCLSA-N 1 1 329.466 0.903 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000122134253 436731221 /nfs/dbraw/zinc/73/12/21/436731221.db2.gz QJVKUSZFBCJYJH-CYBMUJFWSA-N 1 1 325.438 0.765 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C2CCN(c3cnccn3)CC2)CC1 ZINC000068444686 436745074 /nfs/dbraw/zinc/74/50/74/436745074.db2.gz LGMKIDQLOBKZTL-UHFFFAOYSA-N 1 1 327.432 0.861 20 30 ECEDMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153278518 436752183 /nfs/dbraw/zinc/75/21/83/436752183.db2.gz ZWSQSOFHBLUARW-UHFFFAOYSA-N 1 1 330.396 0.707 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)CCCCC#N ZINC000068909718 436757491 /nfs/dbraw/zinc/75/74/91/436757491.db2.gz JRTIMNVPVVTZBE-AWEZNQCLSA-N 1 1 344.481 0.542 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)CCCCC#N ZINC000068909718 436757493 /nfs/dbraw/zinc/75/74/93/436757493.db2.gz JRTIMNVPVVTZBE-AWEZNQCLSA-N 1 1 344.481 0.542 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000245853014 436768808 /nfs/dbraw/zinc/76/88/08/436768808.db2.gz MSTQXPHJRVCGQX-KGLIPLIRSA-N 1 1 334.445 0.524 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000273941622 436789183 /nfs/dbraw/zinc/78/91/83/436789183.db2.gz GLMHJKIGWJFJRZ-JKSUJKDBSA-N 1 1 344.415 0.834 20 30 ECEDMO C#CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CCCC1 ZINC000155768203 436801073 /nfs/dbraw/zinc/80/10/73/436801073.db2.gz RZHAEIQUXMUPGU-UHFFFAOYSA-N 1 1 343.431 0.702 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000132023984 436860139 /nfs/dbraw/zinc/86/01/39/436860139.db2.gz ITFCEIJRUDPNCV-UKPHBRMFSA-N 1 1 334.416 0.729 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000132023984 436860142 /nfs/dbraw/zinc/86/01/42/436860142.db2.gz ITFCEIJRUDPNCV-UKPHBRMFSA-N 1 1 334.416 0.729 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)C[NH+]1CCOCC1 ZINC000293280605 436862382 /nfs/dbraw/zinc/86/23/82/436862382.db2.gz FJRWBLJNPJQUMQ-NSHDSACASA-N 1 1 336.417 0.643 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000274758667 436870229 /nfs/dbraw/zinc/87/02/29/436870229.db2.gz WWMMEQIOTBLJPI-UHFFFAOYSA-N 1 1 345.399 0.476 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292923447 436836516 /nfs/dbraw/zinc/83/65/16/436836516.db2.gz IKELAANJSJWGTH-HOCLYGCPSA-N 1 1 333.436 0.996 20 30 ECEDMO C[N@H+](CCCc1[nH]nc(N)c1C#N)CCCN1C(=O)NC(C)(C)C1=O ZINC000162710077 436912711 /nfs/dbraw/zinc/91/27/11/436912711.db2.gz PYKSNQDZFZMGKB-UHFFFAOYSA-N 1 1 347.423 0.448 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000293408240 436875365 /nfs/dbraw/zinc/87/53/65/436875365.db2.gz OWWFDDZBEKPOQK-UHFFFAOYSA-N 1 1 345.325 0.455 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N1CCN(c2cccs2)CC1 ZINC000261856420 436892029 /nfs/dbraw/zinc/89/20/29/436892029.db2.gz YTXCDQWYVSBYAS-HNNXBMFYSA-N 1 1 348.520 0.445 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC[C@](C)(O)c1cc(C)oc1C ZINC000261928509 436896012 /nfs/dbraw/zinc/89/60/12/436896012.db2.gz JJTNZKAPKYEEHW-QAPCUYQASA-N 1 1 349.479 0.269 20 30 ECEDMO C=C(C)COCCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000135040799 436908201 /nfs/dbraw/zinc/90/82/01/436908201.db2.gz RXFBDJURLAOEIB-CQSZACIVSA-N 1 1 326.441 0.466 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cn(-c2cccc(OC)c2)nn1 ZINC000295492875 436968266 /nfs/dbraw/zinc/96/82/66/436968266.db2.gz NZNIMUWGIBWDTG-UHFFFAOYSA-N 1 1 327.388 0.961 20 30 ECEDMO N#CC1(CS(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000166410425 436937856 /nfs/dbraw/zinc/93/78/56/436937856.db2.gz XFSZXXHUMHSODK-MRXNPFEDSA-N 1 1 349.456 0.976 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000280986286 436937910 /nfs/dbraw/zinc/93/79/10/436937910.db2.gz NZKIPWMVADDEHP-UHFFFAOYSA-N 1 1 328.420 0.791 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000280986286 436937913 /nfs/dbraw/zinc/93/79/13/436937913.db2.gz NZKIPWMVADDEHP-UHFFFAOYSA-N 1 1 328.420 0.791 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000264417712 437028008 /nfs/dbraw/zinc/02/80/08/437028008.db2.gz JIHFSTGKXOTREM-UHFFFAOYSA-N 1 1 349.456 0.768 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000296383063 436989976 /nfs/dbraw/zinc/98/99/76/436989976.db2.gz PVHBRYGZVNNMQB-HNNXBMFYSA-N 1 1 330.436 0.700 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000297624589 437009017 /nfs/dbraw/zinc/00/90/17/437009017.db2.gz WBWXOKUAEQGQCQ-UHFFFAOYSA-N 1 1 336.480 0.671 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000297624589 437009020 /nfs/dbraw/zinc/00/90/20/437009020.db2.gz WBWXOKUAEQGQCQ-UHFFFAOYSA-N 1 1 336.480 0.671 20 30 ECEDMO C#Cc1ccc(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000297540419 437009911 /nfs/dbraw/zinc/00/99/11/437009911.db2.gz MOLDIOLSMKCGFJ-UHFFFAOYSA-N 1 1 328.416 0.631 20 30 ECEDMO CCC(N)=[NH+]OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000299304637 437069181 /nfs/dbraw/zinc/06/91/81/437069181.db2.gz CEUHIIDDWRUPPX-UHFFFAOYSA-N 1 1 348.403 0.474 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2COC[C@H]2O)c(OC)c1 ZINC000285480170 437079293 /nfs/dbraw/zinc/07/92/93/437079293.db2.gz IBAQGLJORRHMEF-ARFHVFGLSA-N 1 1 337.416 0.855 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3cccc(C#N)c3)[C@H]2C1 ZINC000285197777 437076439 /nfs/dbraw/zinc/07/64/39/437076439.db2.gz VRKPIYNFMWYHGF-JKSUJKDBSA-N 1 1 335.429 0.793 20 30 ECEDMO C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC[N@H+](C)[C@H](C)CC)C1=O ZINC000286059559 437085751 /nfs/dbraw/zinc/08/57/51/437085751.db2.gz RXJAJOKDEWHPID-ZIAGYGMSSA-N 1 1 338.452 0.078 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](CC)CC2)cc1 ZINC000299584282 437092853 /nfs/dbraw/zinc/09/28/53/437092853.db2.gz DLABROFUBPNCMR-UHFFFAOYSA-N 1 1 349.456 0.766 20 30 ECEDMO N#Cc1ncn(CCNC(=O)NCC[N@@H+]2CCc3sccc3C2)n1 ZINC000286472916 437090978 /nfs/dbraw/zinc/09/09/78/437090978.db2.gz ADCRBDNLAHISIV-UHFFFAOYSA-N 1 1 345.432 0.569 20 30 ECEDMO N#Cc1ncn(CCNC(=O)NCC[N@H+]2CCc3sccc3C2)n1 ZINC000286472916 437090981 /nfs/dbraw/zinc/09/09/81/437090981.db2.gz ADCRBDNLAHISIV-UHFFFAOYSA-N 1 1 345.432 0.569 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000176926251 437163954 /nfs/dbraw/zinc/16/39/54/437163954.db2.gz OLMISGYBXXAXRL-CVEARBPZSA-N 1 1 331.416 0.864 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000176926251 437163958 /nfs/dbraw/zinc/16/39/58/437163958.db2.gz OLMISGYBXXAXRL-CVEARBPZSA-N 1 1 331.416 0.864 20 30 ECEDMO CNC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H]1c1cnn(C)c1 ZINC000331530011 437113827 /nfs/dbraw/zinc/11/38/27/437113827.db2.gz GVYVAAAQHAHMNJ-CVEARBPZSA-N 1 1 326.404 0.592 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000265405280 437123522 /nfs/dbraw/zinc/12/35/22/437123522.db2.gz VNFMTNXBOLKCCG-UHFFFAOYSA-N 1 1 334.376 0.200 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(c3ccc(C#N)nn3)CC2)CC1 ZINC000301893156 437134491 /nfs/dbraw/zinc/13/44/91/437134491.db2.gz ANGHQQIVLZJTMA-UHFFFAOYSA-N 1 1 328.420 0.729 20 30 ECEDMO CN(C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332055325 437202212 /nfs/dbraw/zinc/20/22/12/437202212.db2.gz OIWCLLZRHIXHPZ-CABCVRRESA-N 1 1 347.463 0.176 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)CC1 ZINC000305781460 437165632 /nfs/dbraw/zinc/16/56/32/437165632.db2.gz UQNNRIUXWFVEKL-ZACQAIPSSA-N 1 1 336.480 0.772 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000325387461 437228260 /nfs/dbraw/zinc/22/82/60/437228260.db2.gz BOSLIKQKAYGPSF-BFYDXBDKSA-N 1 1 329.400 0.898 20 30 ECEDMO Cc1cn2c(n1)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)CCC2 ZINC000328640293 437244243 /nfs/dbraw/zinc/24/42/43/437244243.db2.gz CLUVDSSCPYTABE-GJZGRUSLSA-N 1 1 334.468 0.818 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000278326352 437304270 /nfs/dbraw/zinc/30/42/70/437304270.db2.gz NWPBLFIFAWGMKK-JKSUJKDBSA-N 1 1 326.437 0.533 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278472518 437316165 /nfs/dbraw/zinc/31/61/65/437316165.db2.gz HPMQEEJKDUFIDD-UHFFFAOYSA-N 1 1 330.362 0.999 20 30 ECEDMO CS[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000333421386 437271238 /nfs/dbraw/zinc/27/12/38/437271238.db2.gz LYOFFKRAFSELEZ-CYBMUJFWSA-N 1 1 349.460 0.941 20 30 ECEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000328856984 437272001 /nfs/dbraw/zinc/27/20/01/437272001.db2.gz UKVCWMLDFMBIND-RBSFLKMASA-N 1 1 327.450 0.805 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000266964365 437272680 /nfs/dbraw/zinc/27/26/80/437272680.db2.gz XQQKJCGUVWLCOJ-UHFFFAOYSA-N 1 1 338.415 0.730 20 30 ECEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000328856976 437273424 /nfs/dbraw/zinc/27/34/24/437273424.db2.gz UKVCWMLDFMBIND-KFWWJZLASA-N 1 1 327.450 0.805 20 30 ECEDMO Cn1ncnc1[C@@H]1COCCN1C(=O)NCC[NH+]1CCSCC1 ZINC000328900940 437281629 /nfs/dbraw/zinc/28/16/29/437281629.db2.gz YMUGUVVDSICGAE-LBPRGKRZSA-N 1 1 340.453 0.151 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000180705177 437299212 /nfs/dbraw/zinc/29/92/12/437299212.db2.gz DAUKANWHAFVSOX-UHFFFAOYSA-N 1 1 331.420 0.960 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@H]2COCCO2)CC1 ZINC000329403303 437363172 /nfs/dbraw/zinc/36/31/72/437363172.db2.gz WQJUATCSASRRTM-CVEARBPZSA-N 1 1 340.468 0.418 20 30 ECEDMO Cc1nc2ccc(NC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)cn2n1 ZINC000329398690 437363772 /nfs/dbraw/zinc/36/37/72/437363772.db2.gz AKRLITRCDWLGNQ-MRXNPFEDSA-N 1 1 348.407 0.447 20 30 ECEDMO C[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)n1cnc(C#N)n1 ZINC000337059384 437323152 /nfs/dbraw/zinc/32/31/52/437323152.db2.gz RDYJBVNLPIALDL-NSHDSACASA-N 1 1 341.375 0.850 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337045689 437323168 /nfs/dbraw/zinc/32/31/68/437323168.db2.gz MGGHKHCYLMUQCC-HNNXBMFYSA-N 1 1 344.481 0.511 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000337090559 437330234 /nfs/dbraw/zinc/33/02/34/437330234.db2.gz JVUNTKDHXPWZCN-KGLIPLIRSA-N 1 1 332.470 0.413 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000337099751 437332780 /nfs/dbraw/zinc/33/27/80/437332780.db2.gz UTGWCXDOAUELHE-CQSZACIVSA-N 1 1 330.454 0.262 20 30 ECEDMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000329766512 437411422 /nfs/dbraw/zinc/41/14/22/437411422.db2.gz YGLGHZRHYSDTCQ-VYDXJSESSA-N 1 1 341.452 0.627 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000329808717 437416813 /nfs/dbraw/zinc/41/68/13/437416813.db2.gz PMTRMBMBAJLFOY-UKRRQHHQSA-N 1 1 337.468 0.137 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000329818051 437417622 /nfs/dbraw/zinc/41/76/22/437417622.db2.gz FPGWMDFSINIPPC-ZWNOBZJWSA-N 1 1 330.454 0.341 20 30 ECEDMO C[C@@H]1OCC[C@]12CN(C(=O)NCC[NH+]1CCSCC1)CCO2 ZINC000329896699 437428150 /nfs/dbraw/zinc/42/81/50/437428150.db2.gz COVGLXPQTOTVFV-ZFWWWQNUSA-N 1 1 329.466 0.829 20 30 ECEDMO CN(C)c1noc(CNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000329556716 437383830 /nfs/dbraw/zinc/38/38/30/437383830.db2.gz BUYJTGAGFODQGA-UHFFFAOYSA-N 1 1 340.428 0.592 20 30 ECEDMO CN(C)c1noc(CNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC000329556716 437383834 /nfs/dbraw/zinc/38/38/34/437383834.db2.gz BUYJTGAGFODQGA-UHFFFAOYSA-N 1 1 340.428 0.592 20 30 ECEDMO Cn1ccc(CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000329604900 437389252 /nfs/dbraw/zinc/38/92/52/437389252.db2.gz ZBQPBZLPIQJUBV-OAHLLOKOSA-N 1 1 348.451 0.115 20 30 ECEDMO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C2)C1 ZINC000330207131 437469462 /nfs/dbraw/zinc/46/94/62/437469462.db2.gz FSSIWLBVCHKQRN-ZFWWWQNUSA-N 1 1 344.481 0.210 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000330253431 437474831 /nfs/dbraw/zinc/47/48/31/437474831.db2.gz IWEASVRZQOMDNO-KBPBESRZSA-N 1 1 338.452 0.706 20 30 ECEDMO O=C(Cn1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cn1)N1CCOCC1 ZINC000330246188 437475038 /nfs/dbraw/zinc/47/50/38/437475038.db2.gz YBYYHQGNTOYAQP-HNNXBMFYSA-N 1 1 347.419 0.957 20 30 ECEDMO O=C(Cn1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cn1)N1CCOCC1 ZINC000330246188 437475042 /nfs/dbraw/zinc/47/50/42/437475042.db2.gz YBYYHQGNTOYAQP-HNNXBMFYSA-N 1 1 347.419 0.957 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@H]2CC[N@@H+](CC)C[C@H]21 ZINC000339015739 437434703 /nfs/dbraw/zinc/43/47/03/437434703.db2.gz BVFSXLRGSXZMMA-ZNMIVQPWSA-N 1 1 344.481 0.508 20 30 ECEDMO CC(C)[C@H](CNC(=O)NC[C@@]1(O)CCSC1)[NH+]1CCOCC1 ZINC000330019897 437445744 /nfs/dbraw/zinc/44/57/44/437445744.db2.gz VUNQFBUOTPIXIA-ZFWWWQNUSA-N 1 1 331.482 0.715 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000339264348 437450007 /nfs/dbraw/zinc/45/00/07/437450007.db2.gz NKHVQDPWPWFTHK-UHFFFAOYSA-N 1 1 349.822 0.843 20 30 ECEDMO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1 ZINC000330124397 437456915 /nfs/dbraw/zinc/45/69/15/437456915.db2.gz BCNYCBNTLGMGRT-KGLIPLIRSA-N 1 1 331.482 0.999 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000186126181 437460730 /nfs/dbraw/zinc/46/07/30/437460730.db2.gz CWJCJHXJVXXWSQ-CQSZACIVSA-N 1 1 348.428 0.143 20 30 ECEDMO C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000290077088 437461143 /nfs/dbraw/zinc/46/11/43/437461143.db2.gz ONDUDEUNCPJGMX-ZFWWWQNUSA-N 1 1 347.415 0.681 20 30 ECEDMO C[C@@](O)(CNC(=O)Cc1csc2nccn12)C[NH+]1CCOCC1 ZINC000330161848 437461668 /nfs/dbraw/zinc/46/16/68/437461668.db2.gz UDARPVDPOFUZPH-OAHLLOKOSA-N 1 1 338.433 0.978 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)C[N@H+]1C1CC1 ZINC000330177568 437464338 /nfs/dbraw/zinc/46/43/38/437464338.db2.gz DAZAGIQVVDOWBH-DYEKYZERSA-N 1 1 344.481 0.491 20 30 ECEDMO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000330177961 437464674 /nfs/dbraw/zinc/46/46/74/437464674.db2.gz LFDNLYMZNKCEDO-YHUYYLMFSA-N 1 1 341.452 0.747 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)OCC ZINC000339444572 437466745 /nfs/dbraw/zinc/46/67/45/437466745.db2.gz PAQUTKHYQBNERQ-HUUCEWRRSA-N 1 1 346.493 0.935 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)OCC ZINC000339444573 437466801 /nfs/dbraw/zinc/46/68/01/437466801.db2.gz PAQUTKHYQBNERQ-LSDHHAIUSA-N 1 1 346.493 0.935 20 30 ECEDMO C[N@@H+](CCO)C1CCN(C(=O)NCc2ncnn2C(C)(C)C)CC1 ZINC000330413065 437504487 /nfs/dbraw/zinc/50/44/87/437504487.db2.gz MEZFBOBSJJKDPR-UHFFFAOYSA-N 1 1 338.456 0.836 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000188165966 437530321 /nfs/dbraw/zinc/53/03/21/437530321.db2.gz IKRKHTRBVBWPQN-UHFFFAOYSA-N 1 1 330.388 0.644 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000188165966 437530323 /nfs/dbraw/zinc/53/03/23/437530323.db2.gz IKRKHTRBVBWPQN-UHFFFAOYSA-N 1 1 330.388 0.644 20 30 ECEDMO CC(C)[C@H](CNC(=O)C(=O)NCCCCC#N)[NH+]1CCN(C)CC1 ZINC000340002798 437543443 /nfs/dbraw/zinc/54/34/43/437543443.db2.gz RVESOYGZQURILB-HNNXBMFYSA-N 1 1 337.468 0.185 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)[C@H](C)C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)C1 ZINC000330540212 437545186 /nfs/dbraw/zinc/54/51/86/437545186.db2.gz HDLKBJOLRCMGMK-AGIUHOORSA-N 1 1 328.457 0.855 20 30 ECEDMO CO[C@H]1C[C@@H](C[N@H+](C)[C@H](C)C(=O)NC(=O)NC(C)(C)C)N(C)C1 ZINC000330540212 437545191 /nfs/dbraw/zinc/54/51/91/437545191.db2.gz HDLKBJOLRCMGMK-AGIUHOORSA-N 1 1 328.457 0.855 20 30 ECEDMO CO[C@H]1C[C@@H](C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC(C)(C)C)N(C)C1 ZINC000330540212 437545193 /nfs/dbraw/zinc/54/51/93/437545193.db2.gz HDLKBJOLRCMGMK-AGIUHOORSA-N 1 1 328.457 0.855 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](CC)CCC)CC1 ZINC000360172134 437546664 /nfs/dbraw/zinc/54/66/64/437546664.db2.gz RKDYGDKBVITXHW-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000330630627 437573722 /nfs/dbraw/zinc/57/37/22/437573722.db2.gz DFIBXAOTXGDANU-QWHCGFSZSA-N 1 1 326.441 0.516 20 30 ECEDMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 ZINC000340152724 437586556 /nfs/dbraw/zinc/58/65/56/437586556.db2.gz YWLOWYGAJNODCU-UHFFFAOYSA-N 1 1 344.415 0.090 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)nn1CCC#N ZINC000354505054 437628052 /nfs/dbraw/zinc/62/80/52/437628052.db2.gz LIZUUDUPPUAJKT-LBPRGKRZSA-N 1 1 334.424 0.889 20 30 ECEDMO C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000354665132 437645212 /nfs/dbraw/zinc/64/52/12/437645212.db2.gz DZBHZIZHCPKAOR-CQSZACIVSA-N 1 1 331.416 0.925 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)NC2CCC(S(C)(=O)=O)CC2)C1 ZINC000330937536 437654057 /nfs/dbraw/zinc/65/40/57/437654057.db2.gz UPMQGONTBOKNEM-MOKVOYLWSA-N 1 1 347.481 0.567 20 30 ECEDMO CO[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000331007877 437670129 /nfs/dbraw/zinc/67/01/29/437670129.db2.gz QMXZTVKMEHTOAR-ZIAGYGMSSA-N 1 1 326.441 0.610 20 30 ECEDMO CO[C@@H]1CN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C[C@@H]1OC ZINC000331113567 437691334 /nfs/dbraw/zinc/69/13/34/437691334.db2.gz MJJXUDMUTRLIAR-KFWWJZLASA-N 1 1 328.457 0.130 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CCC[N@@H+](CCN(C)C)CC2)nc1 ZINC000361829259 437691637 /nfs/dbraw/zinc/69/16/37/437691637.db2.gz GVWAHTGWNJGJTC-UHFFFAOYSA-N 1 1 329.448 0.518 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CCC[N@H+](CCN(C)C)CC2)nc1 ZINC000361829259 437691641 /nfs/dbraw/zinc/69/16/41/437691641.db2.gz GVWAHTGWNJGJTC-UHFFFAOYSA-N 1 1 329.448 0.518 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cn(C(C)(C)C)nn2)CC1 ZINC000331093482 437687198 /nfs/dbraw/zinc/68/71/98/437687198.db2.gz JSMNIQDYCMQNHS-UHFFFAOYSA-N 1 1 336.440 0.890 20 30 ECEDMO CC(=O)N[C@H](C)C1CC[NH+](CC(=O)NC(=O)NCC(C)C)CC1 ZINC000331129419 437693062 /nfs/dbraw/zinc/69/30/62/437693062.db2.gz PORXCFYXEOJZKH-GFCCVEGCSA-N 1 1 326.441 0.909 20 30 ECEDMO C[C@H](CNC(=O)N1CC[C@H](CS(C)(=O)=O)C1)C[NH+]1CCOCC1 ZINC000331125794 437693314 /nfs/dbraw/zinc/69/33/14/437693314.db2.gz HQRKWKRCEDSUGG-KGLIPLIRSA-N 1 1 347.481 0.235 20 30 ECEDMO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000331160885 437702385 /nfs/dbraw/zinc/70/23/85/437702385.db2.gz LUVVQYKQEXTTHO-HOCLYGCPSA-N 1 1 348.447 0.936 20 30 ECEDMO CC(C)[N@@H+](C)CCNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000331201730 437714670 /nfs/dbraw/zinc/71/46/70/437714670.db2.gz BBACJMIHHQBMGL-AWEZNQCLSA-N 1 1 346.497 0.741 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)C1 ZINC000331226776 437722340 /nfs/dbraw/zinc/72/23/40/437722340.db2.gz FOQHQTNSUYYYDS-KBPBESRZSA-N 1 1 341.456 0.553 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000331236302 437723931 /nfs/dbraw/zinc/72/39/31/437723931.db2.gz UGNHTCPSQWHSOJ-FRRDWIJNSA-N 1 1 342.440 0.760 20 30 ECEDMO CC[C@@]1(CO)CCCN1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000331264983 437728494 /nfs/dbraw/zinc/72/84/94/437728494.db2.gz PGAQFARRIAZMFU-INIZCTEOSA-N 1 1 326.441 0.348 20 30 ECEDMO CC(C)NS(=O)(=O)CCNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000331318005 437739825 /nfs/dbraw/zinc/73/98/25/437739825.db2.gz JYGXRTUQDCTBLB-ZDUSSCGKSA-N 1 1 348.513 0.938 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000341123144 437798127 /nfs/dbraw/zinc/79/81/27/437798127.db2.gz LDTNNBYXEPMKLG-HNNXBMFYSA-N 1 1 331.420 0.482 20 30 ECEDMO N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000363638163 437802055 /nfs/dbraw/zinc/80/20/55/437802055.db2.gz QCLFZSYBFOJUEM-DLBZAZTESA-N 1 1 347.463 0.563 20 30 ECEDMO C[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)C[NH+]1CCN(C)CC1 ZINC000346445669 437811651 /nfs/dbraw/zinc/81/16/51/437811651.db2.gz ZIYOFHHSMMLJMB-AWEZNQCLSA-N 1 1 328.482 0.483 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370896889 437856377 /nfs/dbraw/zinc/85/63/77/437856377.db2.gz DCQFXWZBWQILIW-KGLIPLIRSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370896889 437856383 /nfs/dbraw/zinc/85/63/83/437856383.db2.gz DCQFXWZBWQILIW-KGLIPLIRSA-N 1 1 336.436 0.864 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@]23CCOC3)CC1 ZINC000341959143 437932352 /nfs/dbraw/zinc/93/23/52/437932352.db2.gz WAUTWZMEUWQOOP-AEFFLSMTSA-N 1 1 334.464 0.934 20 30 ECEDMO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000341994027 437933887 /nfs/dbraw/zinc/93/38/87/437933887.db2.gz RSOAVEWOZRSKGZ-AWEZNQCLSA-N 1 1 336.436 0.318 20 30 ECEDMO CC(C)[C@@H](C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000347495143 437899974 /nfs/dbraw/zinc/89/99/74/437899974.db2.gz GCAHJAMTANXCBG-CABCVRRESA-N 1 1 336.436 0.364 20 30 ECEDMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000365733489 437959777 /nfs/dbraw/zinc/95/97/77/437959777.db2.gz GVUZJDOWPSZJKL-RDJZCZTQSA-N 1 1 348.447 0.878 20 30 ECEDMO COCC1(C#N)CC[NH+](CC(=O)N2CCC[C@H](NC(C)=O)C2)CC1 ZINC000341995821 437936711 /nfs/dbraw/zinc/93/67/11/437936711.db2.gz SEYVDYLEWWUVLC-HNNXBMFYSA-N 1 1 336.436 0.366 20 30 ECEDMO C=CCn1cc(CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000425394451 438024491 /nfs/dbraw/zinc/02/44/91/438024491.db2.gz FOQOOIUSQOGXJZ-OKILXGFUSA-N 1 1 336.440 0.763 20 30 ECEDMO C=CCn1cc(CNC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)nn1 ZINC000425869910 438047690 /nfs/dbraw/zinc/04/76/90/438047690.db2.gz GIKJRMJQQGHCSC-UHFFFAOYSA-N 1 1 349.483 0.632 20 30 ECEDMO C=CC[C@H](CO)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000357856635 438084527 /nfs/dbraw/zinc/08/45/27/438084527.db2.gz SQTHGHIZGANQBS-FFHGMXDLSA-N 1 1 338.452 0.306 20 30 ECEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000348801943 438104478 /nfs/dbraw/zinc/10/44/78/438104478.db2.gz BKNCTYUADBLUPL-GFCCVEGCSA-N 1 1 334.424 0.890 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@@H](C(C)C)[NH+]2CCOCC2)C1=O ZINC000348495518 438068734 /nfs/dbraw/zinc/06/87/34/438068734.db2.gz DPACTNXMZZRGOF-KBPBESRZSA-N 1 1 325.409 0.466 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@@H](CC(C)C)[NH+]2CCOCC2)C1=O ZINC000348503276 438068802 /nfs/dbraw/zinc/06/88/02/438068802.db2.gz WTHVKNSQBIGAOC-CABCVRRESA-N 1 1 339.436 0.856 20 30 ECEDMO COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366422936 438071811 /nfs/dbraw/zinc/07/18/11/438071811.db2.gz TWCMEAVMWOHQJB-UKRRQHHQSA-N 1 1 332.404 0.948 20 30 ECEDMO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366422936 438071812 /nfs/dbraw/zinc/07/18/12/438071812.db2.gz TWCMEAVMWOHQJB-UKRRQHHQSA-N 1 1 332.404 0.948 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(CCC[N@H+]2CCCO[C@H](C)C2)C1=O ZINC000348618231 438079891 /nfs/dbraw/zinc/07/98/91/438079891.db2.gz YDKCYGDATMOFLO-ZIAGYGMSSA-N 1 1 325.409 0.610 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1C#N ZINC000372739302 438110419 /nfs/dbraw/zinc/11/04/19/438110419.db2.gz KHBNRHZJDVVWCT-CQSZACIVSA-N 1 1 337.445 0.944 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1C#N ZINC000372739302 438110423 /nfs/dbraw/zinc/11/04/23/438110423.db2.gz KHBNRHZJDVVWCT-CQSZACIVSA-N 1 1 337.445 0.944 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000430372072 438110775 /nfs/dbraw/zinc/11/07/75/438110775.db2.gz FJYHERJGZSGSNK-JYJNAYRXSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000358019138 438125263 /nfs/dbraw/zinc/12/52/63/438125263.db2.gz RWPVFJDHWSNCOO-AWEZNQCLSA-N 1 1 338.452 0.115 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000358045370 438130351 /nfs/dbraw/zinc/13/03/51/438130351.db2.gz JLVPREUAXBMGDT-GOSISDBHSA-N 1 1 344.415 0.850 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC000373185387 438134269 /nfs/dbraw/zinc/13/42/69/438134269.db2.gz ZQIMERRSJAUBHN-INIZCTEOSA-N 1 1 325.409 0.909 20 30 ECEDMO C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1=O ZINC000366852144 438136004 /nfs/dbraw/zinc/13/60/04/438136004.db2.gz PHXNYZCMOYXJTE-CVEARBPZSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1=O ZINC000366852150 438137534 /nfs/dbraw/zinc/13/75/34/438137534.db2.gz PHXNYZCMOYXJTE-JKSUJKDBSA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358206185 438180254 /nfs/dbraw/zinc/18/02/54/438180254.db2.gz JLWSXCGJKRSVSL-UONOGXRCSA-N 1 1 331.482 0.800 20 30 ECEDMO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358120170 438157513 /nfs/dbraw/zinc/15/75/13/438157513.db2.gz KIIZMTMKBHUTJN-GOSISDBHSA-N 1 1 347.415 0.763 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000374458295 438211536 /nfs/dbraw/zinc/21/15/36/438211536.db2.gz JJYRURZVSBWFQA-WCQYABFASA-N 1 1 325.438 0.822 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000374457500 438212107 /nfs/dbraw/zinc/21/21/07/438212107.db2.gz DYBQHURSNFGYRI-LBPRGKRZSA-N 1 1 325.438 0.688 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000374884057 438235080 /nfs/dbraw/zinc/23/50/80/438235080.db2.gz YBSMKSUDLLILFV-INIZCTEOSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000374884057 438235085 /nfs/dbraw/zinc/23/50/85/438235085.db2.gz YBSMKSUDLLILFV-INIZCTEOSA-N 1 1 329.404 0.323 20 30 ECEDMO C[C@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1CCO ZINC000351413534 438263308 /nfs/dbraw/zinc/26/33/08/438263308.db2.gz LYYDBNNCRVDYMH-YOEHRIQHSA-N 1 1 326.400 0.766 20 30 ECEDMO C[C@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1CCO ZINC000351413534 438263310 /nfs/dbraw/zinc/26/33/10/438263310.db2.gz LYYDBNNCRVDYMH-YOEHRIQHSA-N 1 1 326.400 0.766 20 30 ECEDMO CC(C)n1nc2c(cc1=O)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000375860981 438264556 /nfs/dbraw/zinc/26/45/56/438264556.db2.gz OQLHWZVAVZRYNR-ZDUSSCGKSA-N 1 1 331.420 0.943 20 30 ECEDMO CC(C)n1nc2c(cc1=O)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000375860981 438264560 /nfs/dbraw/zinc/26/45/60/438264560.db2.gz OQLHWZVAVZRYNR-ZDUSSCGKSA-N 1 1 331.420 0.943 20 30 ECEDMO N#CCNC(=O)CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000376173505 438271916 /nfs/dbraw/zinc/27/19/16/438271916.db2.gz LOVWIOZBLHEWIZ-CQSZACIVSA-N 1 1 332.379 0.794 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000376300566 438277004 /nfs/dbraw/zinc/27/70/04/438277004.db2.gz KAROZBJESPUXAE-GDBMZVCRSA-N 1 1 343.431 0.978 20 30 ECEDMO C#CCCCS(=O)(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376353885 438279836 /nfs/dbraw/zinc/27/98/36/438279836.db2.gz RTXRLBDPGATNKZ-JKSUJKDBSA-N 1 1 327.494 0.687 20 30 ECEDMO N#CCC1(O)CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000376448391 438284286 /nfs/dbraw/zinc/28/42/86/438284286.db2.gz NGGFDTWLOSFVET-MRXNPFEDSA-N 1 1 329.400 0.671 20 30 ECEDMO C=CCCS(=O)(=O)N1CCN(C[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000376534666 438285134 /nfs/dbraw/zinc/28/51/34/438285134.db2.gz HEVMYPKNPXTIRL-OAHLLOKOSA-N 1 1 331.482 0.231 20 30 ECEDMO C=CCCS(=O)(=O)N1CCN(C[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000376534666 438285138 /nfs/dbraw/zinc/28/51/38/438285138.db2.gz HEVMYPKNPXTIRL-OAHLLOKOSA-N 1 1 331.482 0.231 20 30 ECEDMO C[C@@](O)(CNC(=O)Nc1ccc(F)cc1C#N)C[NH+]1CCOCC1 ZINC000435163901 438348854 /nfs/dbraw/zinc/34/88/54/438348854.db2.gz APSAGKCQJDKALE-MRXNPFEDSA-N 1 1 336.367 0.902 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000369118431 438425983 /nfs/dbraw/zinc/42/59/83/438425983.db2.gz UXHHXEKHCVRHSF-UONOGXRCSA-N 1 1 330.454 0.119 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NCC[N@H+](C)CCCC)CC1 ZINC000359304813 438408326 /nfs/dbraw/zinc/40/83/26/438408326.db2.gz QTDYGRVBUHJLLN-UHFFFAOYSA-N 1 1 339.484 0.348 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000352590449 438447883 /nfs/dbraw/zinc/44/78/83/438447883.db2.gz ZVXFJLIUZMOGOL-CQSZACIVSA-N 1 1 333.440 0.944 20 30 ECEDMO CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000369349861 438457491 /nfs/dbraw/zinc/45/74/91/438457491.db2.gz OVOYOSJUNRYSKU-UHFFFAOYSA-N 1 1 338.433 0.421 20 30 ECEDMO CC(C)(O)C[N@H+]1CCCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000369349861 438457497 /nfs/dbraw/zinc/45/74/97/438457497.db2.gz OVOYOSJUNRYSKU-UHFFFAOYSA-N 1 1 338.433 0.421 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000410512927 438595397 /nfs/dbraw/zinc/59/53/97/438595397.db2.gz LGBNMJOIZQPOQT-CVEARBPZSA-N 1 1 349.479 0.233 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)n1 ZINC000442270337 438602222 /nfs/dbraw/zinc/60/22/22/438602222.db2.gz LEUZKXGPXTYVDJ-NEPJUHHUSA-N 1 1 332.408 0.825 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)n1 ZINC000442270337 438602225 /nfs/dbraw/zinc/60/22/25/438602225.db2.gz LEUZKXGPXTYVDJ-NEPJUHHUSA-N 1 1 332.408 0.825 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1 ZINC000494084526 438671734 /nfs/dbraw/zinc/67/17/34/438671734.db2.gz AWXAYKMPTFHFRW-CABCVRRESA-N 1 1 331.372 0.824 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1 ZINC000494084526 438671738 /nfs/dbraw/zinc/67/17/38/438671738.db2.gz AWXAYKMPTFHFRW-CABCVRRESA-N 1 1 331.372 0.824 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000447397717 438676840 /nfs/dbraw/zinc/67/68/40/438676840.db2.gz OTBZXUXZVFHWAO-OAGGEKHMSA-N 1 1 341.452 0.340 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000447397717 438676842 /nfs/dbraw/zinc/67/68/42/438676842.db2.gz OTBZXUXZVFHWAO-OAGGEKHMSA-N 1 1 341.452 0.340 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)ccc1C#N ZINC000453644826 438687124 /nfs/dbraw/zinc/68/71/24/438687124.db2.gz JSYNKWYAIPRVTQ-UHFFFAOYSA-N 1 1 327.388 0.897 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413234903 438691829 /nfs/dbraw/zinc/69/18/29/438691829.db2.gz ISRASNHYIWQWGE-CQSZACIVSA-N 1 1 338.452 0.383 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000453819908 438695819 /nfs/dbraw/zinc/69/58/19/438695819.db2.gz NYBCZPBMRHCFSD-HNNXBMFYSA-N 1 1 344.415 0.768 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000453823741 438697384 /nfs/dbraw/zinc/69/73/84/438697384.db2.gz SGFSGNHMDNNCEA-OAHLLOKOSA-N 1 1 344.415 0.768 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000451325741 438697659 /nfs/dbraw/zinc/69/76/59/438697659.db2.gz AGZJDLJBBDKYRV-INIZCTEOSA-N 1 1 337.420 0.841 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000451325741 438697662 /nfs/dbraw/zinc/69/76/62/438697662.db2.gz AGZJDLJBBDKYRV-INIZCTEOSA-N 1 1 337.420 0.841 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494710341 438705151 /nfs/dbraw/zinc/70/51/51/438705151.db2.gz PRAFXSZIJHGEKF-UONOGXRCSA-N 1 1 331.482 0.813 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494710341 438705153 /nfs/dbraw/zinc/70/51/53/438705153.db2.gz PRAFXSZIJHGEKF-UONOGXRCSA-N 1 1 331.482 0.813 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n(CCC#N)n1 ZINC000576176100 438772015 /nfs/dbraw/zinc/77/20/15/438772015.db2.gz HBQAXWYMCBWEDK-BETUJISGSA-N 1 1 330.392 0.064 20 30 ECEDMO CCNC(=O)C[N@@H+]1CCCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601103516 438819011 /nfs/dbraw/zinc/81/90/11/438819011.db2.gz BXEJMBNQEPMLTN-UHFFFAOYSA-N 1 1 328.420 0.874 20 30 ECEDMO CCNC(=O)C[N@H+]1CCCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601103516 438819012 /nfs/dbraw/zinc/81/90/12/438819012.db2.gz BXEJMBNQEPMLTN-UHFFFAOYSA-N 1 1 328.420 0.874 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CCN(CC#N)CC2)C1 ZINC000588124821 438819397 /nfs/dbraw/zinc/81/93/97/438819397.db2.gz LMKFUQRVDFTUAP-GOEBONIOSA-N 1 1 347.463 0.033 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000595612875 438834255 /nfs/dbraw/zinc/83/42/55/438834255.db2.gz WCDSWKWNOKATBE-JKSUJKDBSA-N 1 1 327.388 0.912 20 30 ECEDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)[C@@H](C)C1 ZINC000588699247 438836930 /nfs/dbraw/zinc/83/69/30/438836930.db2.gz SOLPUBQCUJOZEL-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)[C@@H](C)C1 ZINC000588699247 438836937 /nfs/dbraw/zinc/83/69/37/438836937.db2.gz SOLPUBQCUJOZEL-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000595739866 438855102 /nfs/dbraw/zinc/85/51/02/438855102.db2.gz KZKRMFBVQPUONT-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 ZINC000601445142 438897789 /nfs/dbraw/zinc/89/77/89/438897789.db2.gz RAGYKNFXOWUGED-UHFFFAOYSA-N 1 1 349.479 0.377 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cnc2c(C#N)cnn2c1 ZINC000564985711 438899333 /nfs/dbraw/zinc/89/93/33/438899333.db2.gz MISBBCKDVZBHFB-CYBMUJFWSA-N 1 1 328.420 0.878 20 30 ECEDMO COCCN(CCC#N)C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000590246192 438904010 /nfs/dbraw/zinc/90/40/10/438904010.db2.gz IPTCWTKNBONYIK-UHFFFAOYSA-N 1 1 329.360 0.970 20 30 ECEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601466951 438905564 /nfs/dbraw/zinc/90/55/64/438905564.db2.gz NUNIKERGTSVQQK-MRXNPFEDSA-N 1 1 349.479 0.377 20 30 ECEDMO N#CC1(NC(=O)CN2CCC([N@H+]3CC[C@H](O)C3)CC2)CCCCC1 ZINC000595869721 438873831 /nfs/dbraw/zinc/87/38/31/438873831.db2.gz XVRRMXKXXKYUFB-INIZCTEOSA-N 1 1 334.464 0.860 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000590290275 438907863 /nfs/dbraw/zinc/90/78/63/438907863.db2.gz UVBGDULLVJHDFJ-KRWDZBQOSA-N 1 1 344.419 0.828 20 30 ECEDMO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000589837197 438887222 /nfs/dbraw/zinc/88/72/22/438887222.db2.gz LMGDLOLZSXRRRW-CQSZACIVSA-N 1 1 333.367 0.593 20 30 ECEDMO C=CCC[C@@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000458441769 438887749 /nfs/dbraw/zinc/88/77/49/438887749.db2.gz UOQUBGYJHMYPRH-KBPBESRZSA-N 1 1 326.441 0.200 20 30 ECEDMO Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000601431151 438892350 /nfs/dbraw/zinc/89/23/50/438892350.db2.gz GNIMATXIWFJKMC-UHFFFAOYSA-N 1 1 341.408 0.741 20 30 ECEDMO Cn1ncc(C#N)c1N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000596122288 438928598 /nfs/dbraw/zinc/92/85/98/438928598.db2.gz UAFZOTBKOYXFNS-UHFFFAOYSA-N 1 1 330.436 0.672 20 30 ECEDMO CCC(C#N)(CC)C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000601582040 438936182 /nfs/dbraw/zinc/93/61/82/438936182.db2.gz JPEBPSJJLGLOOO-CQSZACIVSA-N 1 1 338.452 0.612 20 30 ECEDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000578741226 438949016 /nfs/dbraw/zinc/94/90/16/438949016.db2.gz MHTNAKUXKCBGSV-WBVHZDCISA-N 1 1 332.448 0.523 20 30 ECEDMO C[C@H]1NC(=O)N(CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000459313118 438958482 /nfs/dbraw/zinc/95/84/82/438958482.db2.gz OQPYBIKVLUVHGM-CQSZACIVSA-N 1 1 341.415 0.616 20 30 ECEDMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)c1ccco1 ZINC000565595285 438964225 /nfs/dbraw/zinc/96/42/25/438964225.db2.gz BXNBPPAALVQWCW-LBPRGKRZSA-N 1 1 327.344 0.904 20 30 ECEDMO Cn1c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C#N)c(=O)n(C)c1=O ZINC000596570650 438977200 /nfs/dbraw/zinc/97/72/00/438977200.db2.gz MBBZVDRCIXBCJE-ZDUSSCGKSA-N 1 1 331.420 0.490 20 30 ECEDMO CON1CCC([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000459581189 438978617 /nfs/dbraw/zinc/97/86/17/438978617.db2.gz OFWVTMGSAJZEKV-UHFFFAOYSA-N 1 1 338.433 0.685 20 30 ECEDMO CON1CCC([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000459581189 438978621 /nfs/dbraw/zinc/97/86/21/438978621.db2.gz OFWVTMGSAJZEKV-UHFFFAOYSA-N 1 1 338.433 0.685 20 30 ECEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1C ZINC000459702508 438990525 /nfs/dbraw/zinc/99/05/25/438990525.db2.gz OXUYXEYLPIPGJG-DOTOQJQBSA-N 1 1 331.416 0.835 20 30 ECEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1C ZINC000459702508 438990531 /nfs/dbraw/zinc/99/05/31/438990531.db2.gz OXUYXEYLPIPGJG-DOTOQJQBSA-N 1 1 331.416 0.835 20 30 ECEDMO N#Cc1cccc(C[NH2+]CCS(=O)(=O)N2CCSCC2)n1 ZINC000602540189 439107828 /nfs/dbraw/zinc/10/78/28/439107828.db2.gz WZXCTLAFKGXJDB-UHFFFAOYSA-N 1 1 326.447 0.421 20 30 ECEDMO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149477 439167597 /nfs/dbraw/zinc/16/75/97/439167597.db2.gz PQTUHFIWEYAPAK-MAUKXSAKSA-N 1 1 343.431 0.469 20 30 ECEDMO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149477 439167601 /nfs/dbraw/zinc/16/76/01/439167601.db2.gz PQTUHFIWEYAPAK-MAUKXSAKSA-N 1 1 343.431 0.469 20 30 ECEDMO C=CCn1cc(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000567694960 439168088 /nfs/dbraw/zinc/16/80/88/439168088.db2.gz JRFLKPYCNMVONG-SFHVURJKSA-N 1 1 341.415 0.717 20 30 ECEDMO N#CC[C@@]1(O)CC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000592155225 439170078 /nfs/dbraw/zinc/17/00/78/439170078.db2.gz YUIBFSLBRGMRRU-RDTXWAMCSA-N 1 1 345.399 0.661 20 30 ECEDMO N#Cc1cnn2cc(CN3CC[NH+](CCc4cnccn4)CC3)cnc12 ZINC000602742562 439128694 /nfs/dbraw/zinc/12/86/94/439128694.db2.gz IANRSBRZFMVQOM-UHFFFAOYSA-N 1 1 348.414 0.751 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2c3ccccc3C[C@H]2O)nc1 ZINC000567385547 439137613 /nfs/dbraw/zinc/13/76/13/439137613.db2.gz GGJBBQDDVPPBJU-WBVHZDCISA-N 1 1 343.408 0.975 20 30 ECEDMO C[C@@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H](C)N1CC#N ZINC000602855700 439144402 /nfs/dbraw/zinc/14/44/02/439144402.db2.gz VYPSJQUBWIOQMX-PHIMTYICSA-N 1 1 349.357 0.683 20 30 ECEDMO CC1CCN(C[C@H](O)C[NH2+]C[C@H]2CNc3c(C#N)cnn3C2)CC1 ZINC000567498630 439148319 /nfs/dbraw/zinc/14/83/19/439148319.db2.gz HWMDUAFDYJJHKO-GOEBONIOSA-N 1 1 332.452 0.479 20 30 ECEDMO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908625 439156102 /nfs/dbraw/zinc/15/61/02/439156102.db2.gz DVILFPLCIINFNT-LBPRGKRZSA-N 1 1 330.388 0.810 20 30 ECEDMO COC[C@]1(C(=O)OC)CCCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000602911322 439159210 /nfs/dbraw/zinc/15/92/10/439159210.db2.gz JWUMANVLCKBALF-INIZCTEOSA-N 1 1 325.409 0.793 20 30 ECEDMO COC[C@]1(C(=O)OC)CCCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000602911322 439159212 /nfs/dbraw/zinc/15/92/12/439159212.db2.gz JWUMANVLCKBALF-INIZCTEOSA-N 1 1 325.409 0.793 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000592184891 439174524 /nfs/dbraw/zinc/17/45/24/439174524.db2.gz MHAQUYBEVQODGD-FZMZJTMJSA-N 1 1 348.369 0.995 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000592184891 439174529 /nfs/dbraw/zinc/17/45/29/439174529.db2.gz MHAQUYBEVQODGD-FZMZJTMJSA-N 1 1 348.369 0.995 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000603081187 439190344 /nfs/dbraw/zinc/19/03/44/439190344.db2.gz NCHGXLQLVUGVCB-UHFFFAOYSA-N 1 1 333.367 0.983 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COc2cnc(C#N)nc2)C1 ZINC000488751507 439201147 /nfs/dbraw/zinc/20/11/47/439201147.db2.gz POKWVXIDAQVZIJ-CQSZACIVSA-N 1 1 333.392 0.200 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000527050786 439251278 /nfs/dbraw/zinc/25/12/78/439251278.db2.gz CRJGFIWDIWQDPU-GJZGRUSLSA-N 1 1 348.447 0.508 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000603401033 439256469 /nfs/dbraw/zinc/25/64/69/439256469.db2.gz DPGOXHDWUYQXFM-AWEZNQCLSA-N 1 1 331.486 0.082 20 30 ECEDMO N#Cc1cc(Br)cnc1NC[C@]1(CO)COCC[NH2+]1 ZINC000603420710 439259052 /nfs/dbraw/zinc/25/90/52/439259052.db2.gz XBHBYBGUHRHTDC-LBPRGKRZSA-N 1 1 327.182 0.479 20 30 ECEDMO C[C@]1(C#N)CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000603436604 439262572 /nfs/dbraw/zinc/26/25/72/439262572.db2.gz PCQQQBZULHWRNQ-SJLPKXTDSA-N 1 1 349.479 0.728 20 30 ECEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@@H]1C ZINC000527407720 439270235 /nfs/dbraw/zinc/27/02/35/439270235.db2.gz OIOYHWJRPZJNGG-UONOGXRCSA-N 1 1 346.435 0.985 20 30 ECEDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@@H]1C ZINC000527407720 439270241 /nfs/dbraw/zinc/27/02/41/439270241.db2.gz OIOYHWJRPZJNGG-UONOGXRCSA-N 1 1 346.435 0.985 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000490922880 439313996 /nfs/dbraw/zinc/31/39/96/439313996.db2.gz GYISWNRANNUHJX-IBGZPJMESA-N 1 1 345.418 0.496 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000490922880 439313999 /nfs/dbraw/zinc/31/39/99/439313999.db2.gz GYISWNRANNUHJX-IBGZPJMESA-N 1 1 345.418 0.496 20 30 ECEDMO N#Cc1cccc(CNC(=O)CN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000604499504 439316005 /nfs/dbraw/zinc/31/60/05/439316005.db2.gz NBHTWZIEDNNMOK-GOSISDBHSA-N 1 1 342.443 0.971 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)CC1 ZINC000490950894 439317613 /nfs/dbraw/zinc/31/76/13/439317613.db2.gz UWEFQHHRLONGEY-MRXNPFEDSA-N 1 1 335.448 0.239 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000491070522 439327284 /nfs/dbraw/zinc/32/72/84/439327284.db2.gz CVOBOHFYIVLCCY-NEPJUHHUSA-N 1 1 333.354 0.905 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000491123128 439335310 /nfs/dbraw/zinc/33/53/10/439335310.db2.gz ZQQQMBRUXBHWSQ-HUUCEWRRSA-N 1 1 337.420 0.496 20 30 ECEDMO N#CCNC(=O)CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000593066933 439336954 /nfs/dbraw/zinc/33/69/54/439336954.db2.gz ISUFEBXFASFBFC-IRXDYDNUSA-N 1 1 328.416 0.601 20 30 ECEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000598615362 439289858 /nfs/dbraw/zinc/28/98/58/439289858.db2.gz XDRZVECRNVRIID-ZIAGYGMSSA-N 1 1 329.466 0.787 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CC(C)(C)O)C2CCOCC2)CC1 ZINC000490761825 439295264 /nfs/dbraw/zinc/29/52/64/439295264.db2.gz BVSFAHGAZXNQPD-UHFFFAOYSA-N 1 1 337.464 0.016 20 30 ECEDMO COCCOCC[NH+]1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000593116908 439346274 /nfs/dbraw/zinc/34/62/74/439346274.db2.gz MCKSOGVHGNMWTA-OAHLLOKOSA-N 1 1 338.452 0.218 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000491228883 439354215 /nfs/dbraw/zinc/35/42/15/439354215.db2.gz CSHCIQIJKLXQGL-UHFFFAOYSA-N 1 1 334.464 0.986 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000491253385 439356698 /nfs/dbraw/zinc/35/66/98/439356698.db2.gz NIJPLXZSFZAQSK-UHFFFAOYSA-N 1 1 340.431 0.740 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528752653 439368438 /nfs/dbraw/zinc/36/84/38/439368438.db2.gz ZYNNHOHTGBPVEG-QMCVQRASSA-N 1 1 325.453 0.742 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528752653 439368440 /nfs/dbraw/zinc/36/84/40/439368440.db2.gz ZYNNHOHTGBPVEG-QMCVQRASSA-N 1 1 325.453 0.742 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528752652 439368541 /nfs/dbraw/zinc/36/85/41/439368541.db2.gz ZYNNHOHTGBPVEG-MXASKKJJSA-N 1 1 325.453 0.742 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528752652 439368544 /nfs/dbraw/zinc/36/85/44/439368544.db2.gz ZYNNHOHTGBPVEG-MXASKKJJSA-N 1 1 325.453 0.742 20 30 ECEDMO N#CC1(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCC1 ZINC000593350852 439372493 /nfs/dbraw/zinc/37/24/93/439372493.db2.gz XMHOXJLRXOXVDR-INIZCTEOSA-N 1 1 349.479 0.776 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000491373822 439374279 /nfs/dbraw/zinc/37/42/79/439374279.db2.gz OVMZQGKZVVIAEY-AWEZNQCLSA-N 1 1 348.451 0.980 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000593535022 439396191 /nfs/dbraw/zinc/39/61/91/439396191.db2.gz SJOAVVDDBOMPQE-GFCCVEGCSA-N 1 1 337.401 0.717 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000593535022 439396194 /nfs/dbraw/zinc/39/61/94/439396194.db2.gz SJOAVVDDBOMPQE-GFCCVEGCSA-N 1 1 337.401 0.717 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000491517033 439398738 /nfs/dbraw/zinc/39/87/38/439398738.db2.gz WNQGVYWTWAOWIS-UHFFFAOYSA-N 1 1 327.406 0.215 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC1CCC(CS(C)(=O)=O)CC1 ZINC000491535220 439401478 /nfs/dbraw/zinc/40/14/78/439401478.db2.gz AUCYTQZSZGPGPJ-UHFFFAOYSA-N 1 1 343.493 0.844 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)C[C@]2(O)CCc3ccccc32)CC1 ZINC000491615001 439409997 /nfs/dbraw/zinc/40/99/97/439409997.db2.gz ADSPLTWOIOMRMR-HXUWFJFHSA-N 1 1 341.455 0.530 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)C[C@]2(O)CCc3ccccc32)CC1 ZINC000491615001 439410000 /nfs/dbraw/zinc/41/00/00/439410000.db2.gz ADSPLTWOIOMRMR-HXUWFJFHSA-N 1 1 341.455 0.530 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000491626267 439413943 /nfs/dbraw/zinc/41/39/43/439413943.db2.gz IMFPANCWIQQRNJ-UHFFFAOYSA-N 1 1 338.411 0.982 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1nnn(Cc2cc(C)on2)c1C ZINC000491639941 439416862 /nfs/dbraw/zinc/41/68/62/439416862.db2.gz ZESDHIJKZSJQLY-UHFFFAOYSA-N 1 1 330.392 0.616 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000491639173 439417558 /nfs/dbraw/zinc/41/75/58/439417558.db2.gz WTECJAQAYFTWNG-UHFFFAOYSA-N 1 1 334.464 0.002 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000593597849 439417602 /nfs/dbraw/zinc/41/76/02/439417602.db2.gz LWRBJEAHDLJBPS-TZMCWYRMSA-N 1 1 349.412 0.669 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000593603269 439420310 /nfs/dbraw/zinc/42/03/10/439420310.db2.gz KBQFTIFAVOMSIU-NSHDSACASA-N 1 1 329.447 0.745 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000593603269 439420315 /nfs/dbraw/zinc/42/03/15/439420315.db2.gz KBQFTIFAVOMSIU-NSHDSACASA-N 1 1 329.447 0.745 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1n[nH]cc1Br ZINC000491666020 439424161 /nfs/dbraw/zinc/42/41/61/439424161.db2.gz GXMNFDIPYRNTDM-UHFFFAOYSA-N 1 1 328.214 0.927 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000491692355 439428384 /nfs/dbraw/zinc/42/83/84/439428384.db2.gz GWYGPDPRUAARNC-UHFFFAOYSA-N 1 1 334.464 0.002 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000491699127 439431093 /nfs/dbraw/zinc/43/10/93/439431093.db2.gz BEWVOYGYSWBSAU-ZDUSSCGKSA-N 1 1 341.415 0.753 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000491699127 439431094 /nfs/dbraw/zinc/43/10/94/439431094.db2.gz BEWVOYGYSWBSAU-ZDUSSCGKSA-N 1 1 341.415 0.753 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000491699127 439431097 /nfs/dbraw/zinc/43/10/97/439431097.db2.gz BEWVOYGYSWBSAU-ZDUSSCGKSA-N 1 1 341.415 0.753 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)NCC[N@@H+](C)C2CC2)n1 ZINC000491707206 439432204 /nfs/dbraw/zinc/43/22/04/439432204.db2.gz RWWQMKQZIJPLQH-UHFFFAOYSA-N 1 1 333.436 0.769 20 30 ECEDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599327418 439433733 /nfs/dbraw/zinc/43/37/33/439433733.db2.gz HFGVCUFGAPVFHN-KBPBESRZSA-N 1 1 345.465 0.071 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000570740894 439445857 /nfs/dbraw/zinc/44/58/57/439445857.db2.gz RXWDZGFNFFAHTF-ZIAGYGMSSA-N 1 1 344.481 0.508 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000570740894 439445861 /nfs/dbraw/zinc/44/58/61/439445861.db2.gz RXWDZGFNFFAHTF-ZIAGYGMSSA-N 1 1 344.481 0.508 20 30 ECEDMO N#Cc1ccc(N2CCC([NH2+]CC(=O)N3CCNCC3)CC2)cc1 ZINC000583316365 439447977 /nfs/dbraw/zinc/44/79/77/439447977.db2.gz STLDKPNJNPUVLA-UHFFFAOYSA-N 1 1 327.432 0.548 20 30 ECEDMO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583441586 439465490 /nfs/dbraw/zinc/46/54/90/439465490.db2.gz XHPQZPVVBFPFLX-LBPRGKRZSA-N 1 1 348.432 0.362 20 30 ECEDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583441586 439465494 /nfs/dbraw/zinc/46/54/94/439465494.db2.gz XHPQZPVVBFPFLX-LBPRGKRZSA-N 1 1 348.432 0.362 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599451790 439474104 /nfs/dbraw/zinc/47/41/04/439474104.db2.gz IIKQGKAAXKRZDF-KFWWJZLASA-N 1 1 334.372 0.154 20 30 ECEDMO N#CC1(C[C@H](O)C[N@H+](CCOCCO)C2CCC2)CCOCC1 ZINC000599468384 439483836 /nfs/dbraw/zinc/48/38/36/439483836.db2.gz FNXOTVDWGSGZRG-INIZCTEOSA-N 1 1 326.437 0.921 20 30 ECEDMO C[C@@](O)(CNC(=O)/C=C\c1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000492103101 439497181 /nfs/dbraw/zinc/49/71/81/439497181.db2.gz KVKIQHLZZXGPEP-HPFMTEOYSA-N 1 1 329.400 0.771 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n(CCC#N)n1 ZINC000532995788 439523249 /nfs/dbraw/zinc/52/32/49/439523249.db2.gz PPHKAZAZAKLJHI-KGLIPLIRSA-N 1 1 344.419 0.787 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)n(CCC#N)n1 ZINC000532995361 439523332 /nfs/dbraw/zinc/52/33/32/439523332.db2.gz KIHRKBYTDSOULF-UHFFFAOYSA-N 1 1 346.435 0.844 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC[N@H+]1C ZINC000542830656 439559039 /nfs/dbraw/zinc/55/90/39/439559039.db2.gz MVZMVWIFDGVOJW-VXGBXAGGSA-N 1 1 333.440 0.920 20 30 ECEDMO C[C@H](CNC(=O)Nc1ccn(CCC#N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594070532 439514584 /nfs/dbraw/zinc/51/45/84/439514584.db2.gz VNYNUCDMBXXBJK-MCIONIFRSA-N 1 1 334.424 1.416 20 30 ECEDMO C[C@H](CNC(=O)Nc1ccn(CCC#N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594070532 439514590 /nfs/dbraw/zinc/51/45/90/439514590.db2.gz VNYNUCDMBXXBJK-MCIONIFRSA-N 1 1 334.424 1.416 20 30 ECEDMO C=CCn1cc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nn1 ZINC000584466158 439590953 /nfs/dbraw/zinc/59/09/53/439590953.db2.gz XAQWHFRJKWUPKA-HOTGVXAUSA-N 1 1 348.451 0.907 20 30 ECEDMO N#Cc1cnn2cc(C[NH2+][C@@H]3CCN(CC(F)(F)F)C3=O)cnc12 ZINC000572644082 439599054 /nfs/dbraw/zinc/59/90/54/439599054.db2.gz JLXZRNWVBSJDRP-LLVKDONJSA-N 1 1 338.293 0.854 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000600070211 439608734 /nfs/dbraw/zinc/60/87/34/439608734.db2.gz HHZGHRAPDYELAK-LLVKDONJSA-N 1 1 336.779 0.333 20 30 ECEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600097031 439611966 /nfs/dbraw/zinc/61/19/66/439611966.db2.gz DMMLCUSFXBNFHK-ZDUSSCGKSA-N 1 1 347.419 0.236 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000610684684 439638792 /nfs/dbraw/zinc/63/87/92/439638792.db2.gz XOAACGGCEFIFAY-KBPBESRZSA-N 1 1 343.435 0.663 20 30 ECEDMO CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@H]1CC[N@@H+](C)C1 ZINC000595103985 439654116 /nfs/dbraw/zinc/65/41/16/439654116.db2.gz PXMJCJABFSDNBP-ZDUSSCGKSA-N 1 1 346.435 1.001 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)C1 ZINC000586831551 439663524 /nfs/dbraw/zinc/66/35/24/439663524.db2.gz CFPARWBCNAXNPU-OAHLLOKOSA-N 1 1 349.479 0.327 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000587814662 439669083 /nfs/dbraw/zinc/66/90/83/439669083.db2.gz XZDRZUCOHYQOBR-HNNXBMFYSA-N 1 1 335.452 0.081 20 30 ECEDMO N#Cc1cccc(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000610521868 439623577 /nfs/dbraw/zinc/62/35/77/439623577.db2.gz VLJCPBHNUNUGON-SFHVURJKSA-N 1 1 342.443 0.623 20 30 ECEDMO CN(C)C(=O)NCC[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611483536 439700465 /nfs/dbraw/zinc/70/04/65/439700465.db2.gz NHIHBKGLNCRDBX-HNNXBMFYSA-N 1 1 334.420 0.695 20 30 ECEDMO Cc1onc(CC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1C#N ZINC000611528260 439703615 /nfs/dbraw/zinc/70/36/15/439703615.db2.gz BIBCRHQNPUNDNQ-CYBMUJFWSA-N 1 1 331.420 0.682 20 30 ECEDMO Cc1onc(CC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C#N ZINC000611528260 439703620 /nfs/dbraw/zinc/70/36/20/439703620.db2.gz BIBCRHQNPUNDNQ-CYBMUJFWSA-N 1 1 331.420 0.682 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@H](O)C[C@@](C)(O)C3CC3)CC2)c1C#N ZINC000600846115 439709457 /nfs/dbraw/zinc/70/94/57/439709457.db2.gz MEJXERWPKANWOM-CRAIPNDOSA-N 1 1 347.463 0.634 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595385016 439718429 /nfs/dbraw/zinc/71/84/29/439718429.db2.gz RKXOSOXCIOEGKR-QGZVFWFLSA-N 1 1 349.456 0.919 20 30 ECEDMO N#Cc1ccccc1NC(=O)CCCC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600530729 439675208 /nfs/dbraw/zinc/67/52/08/439675208.db2.gz AUATYIJKJIFSKD-OAHLLOKOSA-N 1 1 344.415 0.850 20 30 ECEDMO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611174519 439677505 /nfs/dbraw/zinc/67/75/05/439677505.db2.gz GOWABJCMHACPFH-QGZVFWFLSA-N 1 1 346.431 0.916 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000613585832 439759410 /nfs/dbraw/zinc/75/94/10/439759410.db2.gz JLJUBTRYGUSWJO-FUHWJXTLSA-N 1 1 332.400 0.984 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000613585832 439759411 /nfs/dbraw/zinc/75/94/11/439759411.db2.gz JLJUBTRYGUSWJO-FUHWJXTLSA-N 1 1 332.400 0.984 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CCN(CC#N)CC1 ZINC000614813139 439787507 /nfs/dbraw/zinc/78/75/07/439787507.db2.gz BNGBJXLRPXPJCV-CQSZACIVSA-N 1 1 337.468 0.461 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614956919 439791126 /nfs/dbraw/zinc/79/11/26/439791126.db2.gz IEYUMQAOABBDDL-UHFFFAOYSA-N 1 1 344.415 0.720 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614956919 439791127 /nfs/dbraw/zinc/79/11/27/439791127.db2.gz IEYUMQAOABBDDL-UHFFFAOYSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001041732490 782076842 /nfs/dbraw/zinc/07/68/42/782076842.db2.gz VREYLVFLQHYLRG-DNXIFWLFSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001041732490 782076846 /nfs/dbraw/zinc/07/68/46/782076846.db2.gz VREYLVFLQHYLRG-DNXIFWLFSA-N 1 1 345.443 0.130 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@](F)(C#N)C2)CC1=O ZINC000615591833 439802951 /nfs/dbraw/zinc/80/29/51/439802951.db2.gz RIZGARMMDCCBSJ-VBQJREDUSA-N 1 1 336.411 0.783 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@]3(C)CCCS3(=O)=O)C2)C1 ZINC001041736025 782084704 /nfs/dbraw/zinc/08/47/04/782084704.db2.gz LKPAKGUGRZKDOC-IRXDYDNUSA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@]3(C)CCCS3(=O)=O)C2)C1 ZINC001041736025 782084713 /nfs/dbraw/zinc/08/47/13/782084713.db2.gz LKPAKGUGRZKDOC-IRXDYDNUSA-N 1 1 338.473 0.901 20 30 ECEDMO C=CCCn1cc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000653570198 440208027 /nfs/dbraw/zinc/20/80/27/440208027.db2.gz DZCGWWVEBRJBEV-INIZCTEOSA-N 1 1 332.452 0.593 20 30 ECEDMO C=CCN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H](C)COC ZINC000664172901 440250460 /nfs/dbraw/zinc/25/04/60/440250460.db2.gz BEOIBMRMKBTACM-GJZGRUSLSA-N 1 1 340.468 0.806 20 30 ECEDMO C=CCn1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)nn1 ZINC000648857745 440344957 /nfs/dbraw/zinc/34/49/57/440344957.db2.gz PAIBBJUUVCTTCF-INIZCTEOSA-N 1 1 341.415 0.961 20 30 ECEDMO C=CC[C@]1(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)CCC[NH2+]1 ZINC000638856513 440634197 /nfs/dbraw/zinc/63/41/97/440634197.db2.gz NMXHSQXPZPZHHN-CRAIPNDOSA-N 1 1 334.464 0.496 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC000660598502 440687378 /nfs/dbraw/zinc/68/73/78/440687378.db2.gz ZRWMNPQGRTZROY-UONOGXRCSA-N 1 1 345.465 0.138 20 30 ECEDMO C=CCOCCCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000660709604 440713252 /nfs/dbraw/zinc/71/32/52/440713252.db2.gz GKEJPJVKBANHJN-UHFFFAOYSA-N 1 1 326.441 0.431 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666949152 440713785 /nfs/dbraw/zinc/71/37/85/440713785.db2.gz KGWYRDOMIUUQEE-ARFHVFGLSA-N 1 1 335.448 0.703 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000645036001 440733454 /nfs/dbraw/zinc/73/34/54/440733454.db2.gz PFMVXUASMSLAFJ-ULQDDVLXSA-N 1 1 336.480 0.999 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCN2CCOCC2)[C@H]2CCSC2)C1=O ZINC000639769370 440788565 /nfs/dbraw/zinc/78/85/65/440788565.db2.gz HGAWAEUOXFHUAL-HOTGVXAUSA-N 1 1 339.505 0.913 20 30 ECEDMO C=CCCn1cc(CN[C@H]2CC[N@@H+](CCN3CCOCC3)C2)nn1 ZINC000657362363 441002393 /nfs/dbraw/zinc/00/23/93/441002393.db2.gz AVAWPMDUCJXOJP-INIZCTEOSA-N 1 1 334.468 0.350 20 30 ECEDMO C=CCCn1cc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)nn1 ZINC000657362363 441002400 /nfs/dbraw/zinc/00/24/00/441002400.db2.gz AVAWPMDUCJXOJP-INIZCTEOSA-N 1 1 334.468 0.350 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001077990921 782089564 /nfs/dbraw/zinc/08/95/64/782089564.db2.gz DRJDZBQJRABYGF-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCn2cnc(C#N)n2)C[C@H](C)O1 ZINC000561927567 322264798 /nfs/dbraw/zinc/26/47/98/322264798.db2.gz AOBWTAMUIZIPOK-STQMWFEESA-N 1 1 349.439 0.337 20 30 ECEDMO CN1C(=O)NCC12CC[NH+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000566006044 322492801 /nfs/dbraw/zinc/49/28/01/322492801.db2.gz QIURYPFPNNTTGQ-UHFFFAOYSA-N 1 1 327.388 0.986 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(CCN(C(=O)c4cnon4)C3)C2)C1=O ZINC001041747739 782116516 /nfs/dbraw/zinc/11/65/16/782116516.db2.gz BTVIMDSSNOQFQL-YOEHRIQHSA-N 1 1 345.403 0.395 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001078013016 782136756 /nfs/dbraw/zinc/13/67/56/782136756.db2.gz NLXMHAOGTAHMAQ-GPMSIDNRSA-N 1 1 328.412 0.911 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCOc3ccccc32)C1 ZINC001078013016 782136751 /nfs/dbraw/zinc/13/67/51/782136751.db2.gz NLXMHAOGTAHMAQ-GPMSIDNRSA-N 1 1 328.412 0.911 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000158886518 534625883 /nfs/dbraw/zinc/62/58/83/534625883.db2.gz UNVUJEQYWGFSFN-INIZCTEOSA-N 1 1 337.445 0.629 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000158886518 534625889 /nfs/dbraw/zinc/62/58/89/534625889.db2.gz UNVUJEQYWGFSFN-INIZCTEOSA-N 1 1 337.445 0.629 20 30 ECEDMO C[C@@H]1OCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000328932425 546009692 /nfs/dbraw/zinc/00/96/92/546009692.db2.gz IHPQBGABNCKKFY-SOUVJXGZSA-N 1 1 339.436 0.834 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)[N@H+](C)C1 ZINC000328933405 546009757 /nfs/dbraw/zinc/00/97/57/546009757.db2.gz BWMPLQGKOKFFRE-MJBXVCDLSA-N 1 1 349.435 0.900 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)[N@@H+](C)C1 ZINC000328933405 546009763 /nfs/dbraw/zinc/00/97/63/546009763.db2.gz BWMPLQGKOKFFRE-MJBXVCDLSA-N 1 1 349.435 0.900 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000329643570 546030066 /nfs/dbraw/zinc/03/00/66/546030066.db2.gz AHUGUKMUSQKWKN-MRXNPFEDSA-N 1 1 334.468 0.755 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1=O ZINC000337272709 546066200 /nfs/dbraw/zinc/06/62/00/546066200.db2.gz OQEOATARHOBKDB-VGWMRTNUSA-N 1 1 325.453 0.175 20 30 ECEDMO C=CCN1CC[C@H](N(C)C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1=O ZINC000337272709 546066204 /nfs/dbraw/zinc/06/62/04/546066204.db2.gz OQEOATARHOBKDB-VGWMRTNUSA-N 1 1 325.453 0.175 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H](CO)C2)CC1 ZINC000420938429 546214082 /nfs/dbraw/zinc/21/40/82/546214082.db2.gz KTWQCQTVPUVIKP-ZACQAIPSSA-N 1 1 336.480 0.629 20 30 ECEDMO CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619532208 546339079 /nfs/dbraw/zinc/33/90/79/546339079.db2.gz RBXOTZKFSYRAKU-YJBOKZPZSA-N 1 1 331.416 0.950 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)CC1 ZINC000623579281 546807680 /nfs/dbraw/zinc/80/76/80/546807680.db2.gz UFIJLSYVTJQJBR-TZMCWYRMSA-N 1 1 329.466 0.902 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668638934 547708930 /nfs/dbraw/zinc/70/89/30/547708930.db2.gz DCQQLZXKKRXOMX-NVXWUHKLSA-N 1 1 336.480 0.742 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668638934 547708937 /nfs/dbraw/zinc/70/89/37/547708937.db2.gz DCQQLZXKKRXOMX-NVXWUHKLSA-N 1 1 336.480 0.742 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000668651768 547713152 /nfs/dbraw/zinc/71/31/52/547713152.db2.gz MIIZLGSCDOFPGF-HUUCEWRRSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679510530 549100063 /nfs/dbraw/zinc/10/00/63/549100063.db2.gz WEJDBPLNHIULGL-UHFFFAOYSA-N 1 1 329.360 0.915 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC001041777116 782180742 /nfs/dbraw/zinc/18/07/42/782180742.db2.gz HWVKNZKUXUWQFI-YJBOKZPZSA-N 1 1 343.431 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000730097800 578303225 /nfs/dbraw/zinc/30/32/25/578303225.db2.gz KLQOYIBTQYOGRW-DOTOQJQBSA-N 1 1 337.489 0.408 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000730097800 578303226 /nfs/dbraw/zinc/30/32/26/578303226.db2.gz KLQOYIBTQYOGRW-DOTOQJQBSA-N 1 1 337.489 0.408 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCNc1ccc(C#N)cn1 ZINC000732445906 578325445 /nfs/dbraw/zinc/32/54/45/578325445.db2.gz USIJNDCDTHKJLO-OAHLLOKOSA-N 1 1 346.435 0.775 20 30 ECEDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000732465405 578325987 /nfs/dbraw/zinc/32/59/87/578325987.db2.gz MVIPLOZPDQTALG-PVEMMZBWSA-N 1 1 349.435 0.544 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCN1C1CC1 ZINC000732677381 578328702 /nfs/dbraw/zinc/32/87/02/578328702.db2.gz MCQYSNGPVXXSGU-ARFHVFGLSA-N 1 1 333.436 0.231 20 30 ECEDMO CCCC[N@@H+](C)CCNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000732892006 578330761 /nfs/dbraw/zinc/33/07/61/578330761.db2.gz YEEJAHSIEJDRFT-CCEZHUSRSA-N 1 1 337.424 0.544 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NNC(=S)NCC(N)=O ZINC000734365339 578357240 /nfs/dbraw/zinc/35/72/40/578357240.db2.gz WRDAGYAONRDEIX-LBPRGKRZSA-N 1 1 333.461 0.834 20 30 ECEDMO C#CCC[NH+]1CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794450924 578589065 /nfs/dbraw/zinc/58/90/65/578589065.db2.gz SPVUPYJERDSCJB-HNNXBMFYSA-N 1 1 325.453 0.903 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000798356667 578644596 /nfs/dbraw/zinc/64/45/96/578644596.db2.gz ZPJGGKCYNMBUAQ-KKUMJFAQSA-N 1 1 325.453 0.948 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000781214011 578706510 /nfs/dbraw/zinc/70/65/10/578706510.db2.gz FOYAPXZJXSZJHJ-CZUORRHYSA-N 1 1 331.416 0.895 20 30 ECEDMO CC1(C)CN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@@H+]1CCO ZINC000781678806 578712791 /nfs/dbraw/zinc/71/27/91/578712791.db2.gz ATHMFZQEHUKPNH-UHFFFAOYSA-N 1 1 330.384 0.682 20 30 ECEDMO CC1(C)CN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@H+]1CCO ZINC000781678806 578712792 /nfs/dbraw/zinc/71/27/92/578712792.db2.gz ATHMFZQEHUKPNH-UHFFFAOYSA-N 1 1 330.384 0.682 20 30 ECEDMO COCCC[N@H+](CCO)Cc1nc2ccccc2c(=O)n1CC#N ZINC000782580151 578727983 /nfs/dbraw/zinc/72/79/83/578727983.db2.gz VRRYNIJGESHHCA-UHFFFAOYSA-N 1 1 330.388 0.751 20 30 ECEDMO COCCC[N@@H+](CCO)Cc1nc2ccccc2c(=O)n1CC#N ZINC000782580151 578727984 /nfs/dbraw/zinc/72/79/84/578727984.db2.gz VRRYNIJGESHHCA-UHFFFAOYSA-N 1 1 330.388 0.751 20 30 ECEDMO C#CCOCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000784422196 578751695 /nfs/dbraw/zinc/75/16/95/578751695.db2.gz HSKHMKNYBGLQAI-KRWDZBQOSA-N 1 1 331.416 0.702 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000785029000 578762262 /nfs/dbraw/zinc/76/22/62/578762262.db2.gz TVCMPPUTARHCAS-TZMCWYRMSA-N 1 1 330.392 0.288 20 30 ECEDMO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)C1(CO)CCOCC1 ZINC000792410357 578907151 /nfs/dbraw/zinc/90/71/51/578907151.db2.gz VTJKSYMIOXWBOZ-UHFFFAOYSA-N 1 1 342.399 0.893 20 30 ECEDMO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C1(CO)CCOCC1 ZINC000792410357 578907153 /nfs/dbraw/zinc/90/71/53/578907153.db2.gz VTJKSYMIOXWBOZ-UHFFFAOYSA-N 1 1 342.399 0.893 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000770307826 579164510 /nfs/dbraw/zinc/16/45/10/579164510.db2.gz ZTICTGQWNPSCCR-CZUORRHYSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000770307826 579164511 /nfs/dbraw/zinc/16/45/11/579164511.db2.gz ZTICTGQWNPSCCR-CZUORRHYSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000772581307 579210934 /nfs/dbraw/zinc/21/09/34/579210934.db2.gz VHCLEGFRBWPMSE-JKSUJKDBSA-N 1 1 330.432 0.790 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000772581307 579210935 /nfs/dbraw/zinc/21/09/35/579210935.db2.gz VHCLEGFRBWPMSE-JKSUJKDBSA-N 1 1 330.432 0.790 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000773284974 579224064 /nfs/dbraw/zinc/22/40/64/579224064.db2.gz KGJPAQHAVMSOOR-UHFFFAOYSA-N 1 1 326.356 0.958 20 30 ECEDMO CC(C)(CN[NH+]=Cc1cnc(N2CCCC2)nc1)S(C)(=O)=O ZINC000774479074 579248741 /nfs/dbraw/zinc/24/87/41/579248741.db2.gz LQKDSNJQTUTFJL-UHFFFAOYSA-N 1 1 325.438 0.824 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)[C@H]1CCCO1 ZINC000775785342 579271164 /nfs/dbraw/zinc/27/11/64/579271164.db2.gz OKROOEHPLZHLDZ-DLBZAZTESA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCCN1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000776596387 579285782 /nfs/dbraw/zinc/28/57/82/579285782.db2.gz ZXMZZHXHZBHFSV-HNNXBMFYSA-N 1 1 332.400 0.796 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](CC)CCC2CC2)c1=O ZINC000760537941 579512171 /nfs/dbraw/zinc/51/21/71/579512171.db2.gz GZQOQKAVPRGSNZ-UHFFFAOYSA-N 1 1 334.420 0.623 20 30 ECEDMO C=CCN1CC(=O)N(CCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000760989958 579518740 /nfs/dbraw/zinc/51/87/40/579518740.db2.gz UURJVHLBBSDMGR-UHFFFAOYSA-N 1 1 344.419 0.439 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC000761079082 579521004 /nfs/dbraw/zinc/52/10/04/579521004.db2.gz YHJVATCRWSVYNA-ZDUSSCGKSA-N 1 1 346.435 0.139 20 30 ECEDMO COCC[N@H+]1CCC[C@H](NC(=O)C#Cc2ccc3c(c2)OCO3)C1 ZINC000762205033 579538407 /nfs/dbraw/zinc/53/84/07/579538407.db2.gz ROWCVWNPCVBMEX-HNNXBMFYSA-N 1 1 330.384 0.994 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000764749620 579579875 /nfs/dbraw/zinc/57/98/75/579579875.db2.gz PJSBOLOYWYOHFL-INIZCTEOSA-N 1 1 327.432 0.840 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000764749620 579579876 /nfs/dbraw/zinc/57/98/76/579579876.db2.gz PJSBOLOYWYOHFL-INIZCTEOSA-N 1 1 327.432 0.840 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](CC)[C@H](C)C(C)C)c1=O ZINC000742556540 579788529 /nfs/dbraw/zinc/78/85/29/579788529.db2.gz JQAJPTFDYRXZJT-CQSZACIVSA-N 1 1 336.436 0.868 20 30 ECEDMO CCN(CC)S(=O)(=O)N1CC[NH+](CCCSCC#N)CC1 ZINC000745942808 579829948 /nfs/dbraw/zinc/82/99/48/579829948.db2.gz RMTGTMFSZWKOTC-UHFFFAOYSA-N 1 1 334.511 0.837 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000837859404 588963436 /nfs/dbraw/zinc/96/34/36/588963436.db2.gz OOQPOPXWAVHAAJ-OAHLLOKOSA-N 1 1 346.435 0.511 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1=O ZINC000841690285 588998429 /nfs/dbraw/zinc/99/84/29/588998429.db2.gz MPHWOZZXBIRTQD-MELADBBJSA-N 1 1 334.420 0.478 20 30 ECEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1C(=O)NCC(=O)OC ZINC000841892626 589004463 /nfs/dbraw/zinc/00/44/63/589004463.db2.gz OPPGJPYPNOERRF-HNNXBMFYSA-N 1 1 330.384 0.952 20 30 ECEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@H]1C(=O)NCC(=O)OC ZINC000841892626 589004465 /nfs/dbraw/zinc/00/44/65/589004465.db2.gz OPPGJPYPNOERRF-HNNXBMFYSA-N 1 1 330.384 0.952 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCCn2nc(C(=O)OC)cc21 ZINC000895058060 586158647 /nfs/dbraw/zinc/15/86/47/586158647.db2.gz YOJXNSIYQASIAH-ZDUSSCGKSA-N 1 1 347.419 0.759 20 30 ECEDMO CC#CC[C@H](CO)[NH2+]Cc1cn(C)nc1I ZINC000895103253 586162904 /nfs/dbraw/zinc/16/29/04/586162904.db2.gz PZKCOYWCMRZNSB-SNVBAGLBSA-N 1 1 333.173 0.889 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000896225576 586228788 /nfs/dbraw/zinc/22/87/88/586228788.db2.gz DCYVBSWVFJORCC-UHFFFAOYSA-N 1 1 340.427 0.793 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000896235979 586230364 /nfs/dbraw/zinc/23/03/64/586230364.db2.gz NHQNPTLCZMGWIP-UHFFFAOYSA-N 1 1 341.415 0.188 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(C#N)cs3)CC2)CC1 ZINC000896237925 586230854 /nfs/dbraw/zinc/23/08/54/586230854.db2.gz YXGSNSKDESOZNT-UHFFFAOYSA-N 1 1 347.444 0.745 20 30 ECEDMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n[nH]1 ZINC000896314576 586234582 /nfs/dbraw/zinc/23/45/82/586234582.db2.gz HKWKEAAARIGXKP-BBRMVZONSA-N 1 1 328.420 0.989 20 30 ECEDMO C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n[nH]1 ZINC000896314576 586234585 /nfs/dbraw/zinc/23/45/85/586234585.db2.gz HKWKEAAARIGXKP-BBRMVZONSA-N 1 1 328.420 0.989 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)C1 ZINC000896487745 586243515 /nfs/dbraw/zinc/24/35/15/586243515.db2.gz CBXXGVYOWKGBJG-FUHWJXTLSA-N 1 1 345.447 0.823 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)C1 ZINC000896487745 586243518 /nfs/dbraw/zinc/24/35/18/586243518.db2.gz CBXXGVYOWKGBJG-FUHWJXTLSA-N 1 1 345.447 0.823 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896540954 586250714 /nfs/dbraw/zinc/25/07/14/586250714.db2.gz ZDPCOEFBLGBGDL-DYVFJYSZSA-N 1 1 329.448 0.988 20 30 ECEDMO CN1CCN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+](C)CC1 ZINC000888987873 586253334 /nfs/dbraw/zinc/25/33/34/586253334.db2.gz DKVDPBWGIXXEHJ-UHFFFAOYSA-N 1 1 330.432 0.837 20 30 ECEDMO C[C@H](CNC(=O)NCC#C[C@@H]1CCCCO1)CN1CC[NH+](C)CC1 ZINC000893236635 586318064 /nfs/dbraw/zinc/31/80/64/586318064.db2.gz IJUOWYSZOOGQMV-SJORKVTESA-N 1 1 336.480 0.742 20 30 ECEDMO C[C@H]1CCC[N@@H+]1CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000897519688 586337833 /nfs/dbraw/zinc/33/78/33/586337833.db2.gz UIXSLCHMVWKETJ-GZBFAFLISA-N 1 1 340.449 0.050 20 30 ECEDMO C[C@H]1CCC[N@H+]1CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000897519688 586337836 /nfs/dbraw/zinc/33/78/36/586337836.db2.gz UIXSLCHMVWKETJ-GZBFAFLISA-N 1 1 340.449 0.050 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)C2(C#N)CCOCC2)C1 ZINC000898255862 586409121 /nfs/dbraw/zinc/40/91/21/586409121.db2.gz YEOVXHZFCXQXGT-UHFFFAOYSA-N 1 1 325.409 0.112 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)c2ncc(C#N)cc2C)C1 ZINC000898251265 586409537 /nfs/dbraw/zinc/40/95/37/586409537.db2.gz RIRNQUNMHGKRPR-UHFFFAOYSA-N 1 1 332.404 0.681 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2n[nH]cc2C(=O)OCC)C1 ZINC000898760942 586447313 /nfs/dbraw/zinc/44/73/13/586447313.db2.gz FCPYTDRJZLKYPW-HIFRSBDPSA-N 1 1 344.415 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2n[nH]cc2C(=O)OCC)C1 ZINC000898760942 586447314 /nfs/dbraw/zinc/44/73/14/586447314.db2.gz FCPYTDRJZLKYPW-HIFRSBDPSA-N 1 1 344.415 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCOC2(CC(C(=O)OC)C2)C1 ZINC000899677469 586494947 /nfs/dbraw/zinc/49/49/47/586494947.db2.gz GVXGSBZGHDIDSK-DIODGJHASA-N 1 1 334.416 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCOC2(CC(C(=O)OC)C2)C1 ZINC000899677469 586494948 /nfs/dbraw/zinc/49/49/48/586494948.db2.gz GVXGSBZGHDIDSK-DIODGJHASA-N 1 1 334.416 0.701 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000900715485 586658804 /nfs/dbraw/zinc/65/88/04/586658804.db2.gz BPEZRCUVKXMQMU-FMKPAKJESA-N 1 1 339.461 0.648 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000900717947 586658883 /nfs/dbraw/zinc/65/88/83/586658883.db2.gz HRZMUIXIKXDEQW-LMMKCTJWSA-N 1 1 342.443 0.678 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000867324589 589060681 /nfs/dbraw/zinc/06/06/81/589060681.db2.gz HQMJUDFVNVJONR-KRWDZBQOSA-N 1 1 345.443 0.956 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000867324589 589060683 /nfs/dbraw/zinc/06/06/83/589060683.db2.gz HQMJUDFVNVJONR-KRWDZBQOSA-N 1 1 345.443 0.956 20 30 ECEDMO CC[NH+]1CCC(NC(=O)CON=C(N)c2ccc(N(C)C)cc2)CC1 ZINC000902218968 586725039 /nfs/dbraw/zinc/72/50/39/586725039.db2.gz SFBTXCSEJFSHQH-UHFFFAOYSA-N 1 1 347.463 0.990 20 30 ECEDMO COC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000903602915 586795479 /nfs/dbraw/zinc/79/54/79/586795479.db2.gz WBBYAPJDMAFZCX-JTQLQIEISA-N 1 1 329.809 0.821 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000838623452 586819163 /nfs/dbraw/zinc/81/91/63/586819163.db2.gz CCSSNKUWRHNPBR-WMLDXEAASA-N 1 1 337.420 0.163 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000839529531 586863815 /nfs/dbraw/zinc/86/38/15/586863815.db2.gz XRFZFGFFRRHVIM-INIZCTEOSA-N 1 1 335.448 0.429 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000905525624 586899842 /nfs/dbraw/zinc/89/98/42/586899842.db2.gz HSPBSKZCOCAMPV-INIZCTEOSA-N 1 1 336.480 0.555 20 30 ECEDMO C#CCOCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000805279964 586902679 /nfs/dbraw/zinc/90/26/79/586902679.db2.gz UVYIBQFVMXBPFC-GOOCMWNKSA-N 1 1 336.436 0.019 20 30 ECEDMO C=CCN1CCN(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)C1=O ZINC000839973144 587024547 /nfs/dbraw/zinc/02/45/47/587024547.db2.gz IZYOKRJDILMYFW-CABCVRRESA-N 1 1 338.452 0.731 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1=O ZINC000804169229 587080701 /nfs/dbraw/zinc/08/07/01/587080701.db2.gz RRLAGXOLOKCIDP-CABCVRRESA-N 1 1 336.436 0.278 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N([C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O ZINC000804169229 587080703 /nfs/dbraw/zinc/08/07/03/587080703.db2.gz RRLAGXOLOKCIDP-CABCVRRESA-N 1 1 336.436 0.278 20 30 ECEDMO N#CCOc1ccc(CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000808160880 587147013 /nfs/dbraw/zinc/14/70/13/587147013.db2.gz YQGMCDJGOYCTEV-JKSUJKDBSA-N 1 1 329.400 0.799 20 30 ECEDMO C#CCCS(=O)(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000808285222 587152050 /nfs/dbraw/zinc/15/20/50/587152050.db2.gz ZKTAMAYRMYYXSO-CQSZACIVSA-N 1 1 341.502 0.979 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCCO1 ZINC000809314185 587175508 /nfs/dbraw/zinc/17/55/08/587175508.db2.gz ZGSKUUGCRLDCQF-JYJNAYRXSA-N 1 1 333.432 0.417 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000811184081 587214050 /nfs/dbraw/zinc/21/40/50/587214050.db2.gz GUYHELXBZLKXHV-LBPRGKRZSA-N 1 1 331.372 0.973 20 30 ECEDMO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000811646069 587223038 /nfs/dbraw/zinc/22/30/38/587223038.db2.gz JTIYADYHIVIBQS-RYUDHWBXSA-N 1 1 340.387 0.800 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000813855540 587263154 /nfs/dbraw/zinc/26/31/54/587263154.db2.gz QASHPMKDAWBERG-QGZVFWFLSA-N 1 1 332.448 0.934 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H](O)c1ccc(C#N)cc1)CC[NH+](C)C ZINC000813855540 587263156 /nfs/dbraw/zinc/26/31/56/587263156.db2.gz QASHPMKDAWBERG-QGZVFWFLSA-N 1 1 332.448 0.934 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000817820545 587387135 /nfs/dbraw/zinc/38/71/35/587387135.db2.gz YEGLXGKUMMLPAX-INIZCTEOSA-N 1 1 329.400 0.121 20 30 ECEDMO C#Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)cc1 ZINC000840381931 587478025 /nfs/dbraw/zinc/47/80/25/587478025.db2.gz KYTFQGDDHUSFFU-MRXNPFEDSA-N 1 1 329.400 0.914 20 30 ECEDMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCCN(O)C1=O ZINC000820483006 587537479 /nfs/dbraw/zinc/53/74/79/587537479.db2.gz WIEWWRWSQPMXOX-INIZCTEOSA-N 1 1 346.431 0.301 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CNC(=O)[O-])CC1 ZINC000823455512 587721477 /nfs/dbraw/zinc/72/14/77/587721477.db2.gz DGSPHQUKSRVJFA-GJZGRUSLSA-N 1 1 336.436 0.132 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCC[C@H](C)[C@@H]2CNC(=O)[O-])CC1 ZINC000823455512 587721479 /nfs/dbraw/zinc/72/14/79/587721479.db2.gz DGSPHQUKSRVJFA-GJZGRUSLSA-N 1 1 336.436 0.132 20 30 ECEDMO CC(C)[C@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1C ZINC000827499961 588124360 /nfs/dbraw/zinc/12/43/60/588124360.db2.gz RXGCBCIPSTUCEN-PHODEOQFSA-N 1 1 334.420 0.702 20 30 ECEDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371595 589109491 /nfs/dbraw/zinc/10/94/91/589109491.db2.gz ZUDOIDAGXQTLKZ-HZPDHXFCSA-N 1 1 345.359 0.689 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000845842315 589172705 /nfs/dbraw/zinc/17/27/05/589172705.db2.gz TYODWLMOWFJKSP-QWRGUYRKSA-N 1 1 327.431 0.761 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000845842315 589172706 /nfs/dbraw/zinc/17/27/06/589172706.db2.gz TYODWLMOWFJKSP-QWRGUYRKSA-N 1 1 327.431 0.761 20 30 ECEDMO C#CCC[NH+]1CCN(C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846836939 589226432 /nfs/dbraw/zinc/22/64/32/589226432.db2.gz JIBARKHPKUBHMP-SFHVURJKSA-N 1 1 337.464 0.999 20 30 ECEDMO N#CCOc1ccc(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000847308575 589241319 /nfs/dbraw/zinc/24/13/19/589241319.db2.gz LRYNWIXRBCNESO-LSDHHAIUSA-N 1 1 330.388 0.549 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C2=C(C)N(C)c3nnnn3[C@H]2C)CC1 ZINC000847417095 589246133 /nfs/dbraw/zinc/24/61/33/589246133.db2.gz VQZLRUOKDZKSPK-ZDUSSCGKSA-N 1 1 329.408 0.125 20 30 ECEDMO C[NH+]=C(NCCN1CCOCC1)NCCN1CCCC(C)(C)C1 ZINC000849105484 589320442 /nfs/dbraw/zinc/32/04/42/589320442.db2.gz MTUTXLMQOQTIAG-UHFFFAOYSA-N 1 1 325.501 0.606 20 30 ECEDMO C#CCN1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849540104 589339808 /nfs/dbraw/zinc/33/98/08/589339808.db2.gz BKEVFFLXJIFZPL-IRXDYDNUSA-N 1 1 329.448 0.233 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000850705576 589380740 /nfs/dbraw/zinc/38/07/40/589380740.db2.gz XGCOUJYNYOEJHQ-KRWDZBQOSA-N 1 1 341.411 0.664 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000850712773 589381371 /nfs/dbraw/zinc/38/13/71/589381371.db2.gz RMUVINAFGXLBLE-MRXNPFEDSA-N 1 1 337.464 0.675 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000850712710 589381525 /nfs/dbraw/zinc/38/15/25/589381525.db2.gz PSNFUEFCWLSKOJ-HZPDHXFCSA-N 1 1 335.448 0.427 20 30 ECEDMO CC(C)(C)OC(=O)N1CCO[C@@H](C[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000852205807 589450669 /nfs/dbraw/zinc/45/06/69/589450669.db2.gz UXIYQXCYLUQVSR-XJKSGUPXSA-N 1 1 325.409 0.973 20 30 ECEDMO CC(C)(C)OC(=O)N1CCO[C@@H](C[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000852205807 589450671 /nfs/dbraw/zinc/45/06/71/589450671.db2.gz UXIYQXCYLUQVSR-XJKSGUPXSA-N 1 1 325.409 0.973 20 30 ECEDMO C#C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000852308074 589490167 /nfs/dbraw/zinc/49/01/67/589490167.db2.gz UCKVBWOXNNIDFO-INIZCTEOSA-N 1 1 336.480 0.740 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000852713953 589507157 /nfs/dbraw/zinc/50/71/57/589507157.db2.gz SDDULJKYMPMRMY-CZUORRHYSA-N 1 1 345.399 0.994 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000852752237 589510427 /nfs/dbraw/zinc/51/04/27/589510427.db2.gz RGNDSNNVSRBTGW-KRWDZBQOSA-N 1 1 331.416 0.562 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000852752237 589510429 /nfs/dbraw/zinc/51/04/29/589510429.db2.gz RGNDSNNVSRBTGW-KRWDZBQOSA-N 1 1 331.416 0.562 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000856082272 589653847 /nfs/dbraw/zinc/65/38/47/589653847.db2.gz LRKYMANRDHQJCJ-GVDBMIGSSA-N 1 1 331.460 0.844 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1coc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000866383529 589738256 /nfs/dbraw/zinc/73/82/56/589738256.db2.gz OFHJOQPTKVFERD-LBPRGKRZSA-N 1 1 325.390 0.342 20 30 ECEDMO CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000859321947 589821705 /nfs/dbraw/zinc/82/17/05/589821705.db2.gz YRFODAMSDZRPQG-KBPBESRZSA-N 1 1 325.409 0.830 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000859348405 589824970 /nfs/dbraw/zinc/82/49/70/589824970.db2.gz ABRCBBVXJDOHEL-CABCVRRESA-N 1 1 331.372 0.824 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867810186 589847026 /nfs/dbraw/zinc/84/70/26/589847026.db2.gz YHCFPAAFBXQGCA-KBPBESRZSA-N 1 1 330.454 0.119 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869783753 589980064 /nfs/dbraw/zinc/98/00/64/589980064.db2.gz BUHQYBRTIWRCEQ-AWEZNQCLSA-N 1 1 347.415 0.907 20 30 ECEDMO C#CCC[NH+]1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000863442745 590014651 /nfs/dbraw/zinc/01/46/51/590014651.db2.gz ARHGCZDOMRTJGQ-UHFFFAOYSA-N 1 1 341.393 0.094 20 30 ECEDMO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1C#N ZINC000873744432 590199786 /nfs/dbraw/zinc/19/97/86/590199786.db2.gz OSTIESIFIMIQCU-GFCCVEGCSA-N 1 1 330.388 0.963 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000873774311 590201201 /nfs/dbraw/zinc/20/12/01/590201201.db2.gz JFFJZACAWDHEIN-IAQYHMDHSA-N 1 1 348.378 0.780 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000873774311 590201203 /nfs/dbraw/zinc/20/12/03/590201203.db2.gz JFFJZACAWDHEIN-IAQYHMDHSA-N 1 1 348.378 0.780 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)n(CCC#N)n1 ZINC000874171592 590223742 /nfs/dbraw/zinc/22/37/42/590223742.db2.gz DOLHFVHLHPXCJU-KGLIPLIRSA-N 1 1 344.419 0.596 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1 ZINC000874264451 590229300 /nfs/dbraw/zinc/22/93/00/590229300.db2.gz VRXHUYNOQUEAOV-VXGBXAGGSA-N 1 1 331.338 0.469 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000875139530 590274959 /nfs/dbraw/zinc/27/49/59/590274959.db2.gz AEJICJYEERFWOL-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000875379686 590297605 /nfs/dbraw/zinc/29/76/05/590297605.db2.gz INAJRBBJYJSVSY-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000875398394 590298781 /nfs/dbraw/zinc/29/87/81/590298781.db2.gz KZJRXNMBCCEWCY-IRXDYDNUSA-N 1 1 325.412 0.837 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000875599433 590312678 /nfs/dbraw/zinc/31/26/78/590312678.db2.gz QLILGYSQYGDCRV-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000875600209 590312951 /nfs/dbraw/zinc/31/29/51/590312951.db2.gz WQJQXHZADGKNHA-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC000875622479 590316419 /nfs/dbraw/zinc/31/64/19/590316419.db2.gz IRFZONBGWIECLR-UHFFFAOYSA-N 1 1 334.342 0.261 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000875918593 590346302 /nfs/dbraw/zinc/34/63/02/590346302.db2.gz UGQHKHTWPRHPFJ-HNNXBMFYSA-N 1 1 338.452 0.220 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879975437 590358280 /nfs/dbraw/zinc/35/82/80/590358280.db2.gz PVDBUVPIIARTIR-XUWVNRHRSA-N 1 1 335.448 0.256 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880502202 590398732 /nfs/dbraw/zinc/39/87/32/590398732.db2.gz OOQHNXAZMZJENX-IBGZPJMESA-N 1 1 343.427 0.792 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880502202 590398735 /nfs/dbraw/zinc/39/87/35/590398735.db2.gz OOQHNXAZMZJENX-IBGZPJMESA-N 1 1 343.427 0.792 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)cc1 ZINC000880533825 590400440 /nfs/dbraw/zinc/40/04/40/590400440.db2.gz NMACYLAMUHHFAD-ZMSDIMECSA-N 1 1 329.400 0.898 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]3CCNC(=O)[C@H]32)cc1 ZINC000880533824 590401046 /nfs/dbraw/zinc/40/10/46/590401046.db2.gz NMACYLAMUHHFAD-UXLLHSPISA-N 1 1 329.400 0.898 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880589544 590409883 /nfs/dbraw/zinc/40/98/83/590409883.db2.gz UWZJZRYWAWWGBD-OLZOCXBDSA-N 1 1 325.409 0.250 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876849263 590419332 /nfs/dbraw/zinc/41/93/32/590419332.db2.gz XRNOIVAPKJNIDG-SJLPKXTDSA-N 1 1 339.443 0.251 20 30 ECEDMO Cn1nnnc1CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000878390041 590519036 /nfs/dbraw/zinc/51/90/36/590519036.db2.gz CFLVNDIQLZXCQN-HNNXBMFYSA-N 1 1 329.383 0.774 20 30 ECEDMO C#CCN(CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CSC1 ZINC000878913121 590550801 /nfs/dbraw/zinc/55/08/01/590550801.db2.gz BOYCCVIYNNBGAP-INIZCTEOSA-N 1 1 339.505 0.510 20 30 ECEDMO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](CC(=O)NCCC#N)C1 ZINC000879256984 590574563 /nfs/dbraw/zinc/57/45/63/590574563.db2.gz GTPFXKQNQUGMKI-INIZCTEOSA-N 1 1 325.409 0.696 20 30 ECEDMO COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000879256984 590574565 /nfs/dbraw/zinc/57/45/65/590574565.db2.gz GTPFXKQNQUGMKI-INIZCTEOSA-N 1 1 325.409 0.696 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879268606 590575148 /nfs/dbraw/zinc/57/51/48/590575148.db2.gz FNVFEMMXLNKKRU-CWRNSKLLSA-N 1 1 328.416 0.629 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879268606 590575151 /nfs/dbraw/zinc/57/51/51/590575151.db2.gz FNVFEMMXLNKKRU-CWRNSKLLSA-N 1 1 328.416 0.629 20 30 ECEDMO COc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)N(C)CCC#N)cc1 ZINC000883475427 590620751 /nfs/dbraw/zinc/62/07/51/590620751.db2.gz UQJIIEWEZYXCRZ-OAHLLOKOSA-N 1 1 338.433 0.732 20 30 ECEDMO C#C[C@@H](CCC)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883601434 590628877 /nfs/dbraw/zinc/62/88/77/590628877.db2.gz XWTAQXFUQJBCHJ-DLBZAZTESA-N 1 1 336.480 0.884 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC[N@@H+]2CC)n1 ZINC000883898266 590680599 /nfs/dbraw/zinc/68/05/99/590680599.db2.gz WJIUHPGQXMVTLQ-MRXNPFEDSA-N 1 1 333.436 0.769 20 30 ECEDMO C#CCN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133515945 590706446 /nfs/dbraw/zinc/70/64/46/590706446.db2.gz DIFCXXVAGIUYDW-SFHVURJKSA-N 1 1 327.428 0.665 20 30 ECEDMO C#CCN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133515945 590706451 /nfs/dbraw/zinc/70/64/51/590706451.db2.gz DIFCXXVAGIUYDW-SFHVURJKSA-N 1 1 327.428 0.665 20 30 ECEDMO CC[C@@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)[NH+](CC)CC ZINC000885317958 590715615 /nfs/dbraw/zinc/71/56/15/590715615.db2.gz AEQLSQLOBQRYMZ-IPYPFGDCSA-N 1 1 327.450 0.504 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885929195 590782135 /nfs/dbraw/zinc/78/21/35/590782135.db2.gz MCVDBJRIJGEINF-GOEBONIOSA-N 1 1 334.464 0.716 20 30 ECEDMO C[C@@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[NH+]1CCCCCC1 ZINC000886205811 590812826 /nfs/dbraw/zinc/81/28/26/590812826.db2.gz ZNNYHKOZJJSABY-SQWLQELKSA-N 1 1 339.461 0.648 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000886359971 590834889 /nfs/dbraw/zinc/83/48/89/590834889.db2.gz MQXKOWPEQOSYQA-CYBMUJFWSA-N 1 1 347.440 0.568 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC000887052151 590932648 /nfs/dbraw/zinc/93/26/48/590932648.db2.gz MFBMCJVGDCWGSM-HWWDLCQESA-N 1 1 345.447 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000890369334 591153807 /nfs/dbraw/zinc/15/38/07/591153807.db2.gz SWLKFUWZULOEHQ-CVEARBPZSA-N 1 1 330.436 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000890369334 591153810 /nfs/dbraw/zinc/15/38/10/591153810.db2.gz SWLKFUWZULOEHQ-CVEARBPZSA-N 1 1 330.436 0.797 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(CC#N)n3)CC[C@H]21 ZINC000890431055 591158351 /nfs/dbraw/zinc/15/83/51/591158351.db2.gz ZDPFESLLPQMACT-TZMCWYRMSA-N 1 1 327.388 0.639 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc(N(C)C)cn3)CC[C@@H]2C1 ZINC000946592611 611357956 /nfs/dbraw/zinc/35/79/56/611357956.db2.gz SSKCXOMMWTZQKK-GASCZTMLSA-N 1 1 327.432 0.960 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)[C@@H](C)C1 ZINC000947975298 611364972 /nfs/dbraw/zinc/36/49/72/611364972.db2.gz LZCYEAMTWHVJTI-WMLDXEAASA-N 1 1 327.428 0.926 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C ZINC000947983987 611368874 /nfs/dbraw/zinc/36/88/74/611368874.db2.gz FXRWNTNYIAHLMM-DZGCQCFKSA-N 1 1 335.452 0.826 20 30 ECEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000929988856 611375567 /nfs/dbraw/zinc/37/55/67/611375567.db2.gz XKRVWYIEMJAFEO-ZWKOTPCHSA-N 1 1 345.443 0.771 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2OC)C1 ZINC000946635162 611379149 /nfs/dbraw/zinc/37/91/49/611379149.db2.gz FBPYJGGRNFHPAJ-RRFJBIMHSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4nnnn4c3)CC[C@@H]2C1 ZINC000946673253 611406675 /nfs/dbraw/zinc/40/66/75/611406675.db2.gz NSUUQCYENMFDRA-GASCZTMLSA-N 1 1 338.415 0.932 20 30 ECEDMO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](C[C@H](O)CC#N)C2)CC1 ZINC000930473541 611431932 /nfs/dbraw/zinc/43/19/32/611431932.db2.gz RNNDGFDASXVXLV-LSDHHAIUSA-N 1 1 338.452 0.888 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)C3(O)CCOCC3)C2)nc1 ZINC000930540863 611441744 /nfs/dbraw/zinc/44/17/44/611441744.db2.gz JRXXARQKKSEUAO-CABCVRRESA-N 1 1 333.388 0.309 20 30 ECEDMO CS(=O)(=O)N1CC(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000930543436 611442545 /nfs/dbraw/zinc/44/25/45/611442545.db2.gz UYMQCJLTXONADQ-CQSZACIVSA-N 1 1 336.417 0.298 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947174537 611448684 /nfs/dbraw/zinc/44/86/84/611448684.db2.gz NABDTWUZZQYDHZ-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947174535 611448693 /nfs/dbraw/zinc/44/86/93/611448693.db2.gz NABDTWUZZQYDHZ-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1cncc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)c1 ZINC000930758620 611462001 /nfs/dbraw/zinc/46/20/01/611462001.db2.gz CKPDCBXOTUWKLK-UHFFFAOYSA-N 1 1 329.404 0.959 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000925275736 611464408 /nfs/dbraw/zinc/46/44/08/611464408.db2.gz UKCGSXDETHAZQU-HZSPNIEDSA-N 1 1 325.409 0.609 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000925275736 611464409 /nfs/dbraw/zinc/46/44/09/611464409.db2.gz UKCGSXDETHAZQU-HZSPNIEDSA-N 1 1 325.409 0.609 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000948207254 611468390 /nfs/dbraw/zinc/46/83/90/611468390.db2.gz LKCRCZACAPTZQJ-ZNEHSRBWSA-N 1 1 343.431 0.803 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC000925321443 611469284 /nfs/dbraw/zinc/46/92/84/611469284.db2.gz RBKYZCPYBFIHRD-HIFRSBDPSA-N 1 1 328.420 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C ZINC000948237993 611481478 /nfs/dbraw/zinc/48/14/78/611481478.db2.gz LTYRKYNZDNYMMU-XYPHTWIQSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C ZINC000948237993 611481479 /nfs/dbraw/zinc/48/14/79/611481479.db2.gz LTYRKYNZDNYMMU-XYPHTWIQSA-N 1 1 342.443 0.997 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000948280014 611500213 /nfs/dbraw/zinc/50/02/13/611500213.db2.gz VJDONOBEWZDTQW-HNNXBMFYSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000948280014 611500214 /nfs/dbraw/zinc/50/02/14/611500214.db2.gz VJDONOBEWZDTQW-HNNXBMFYSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC1(O)CC[NH+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1 ZINC000931145655 611511020 /nfs/dbraw/zinc/51/10/20/611511020.db2.gz DQBIFGZILOSEMR-AWEZNQCLSA-N 1 1 344.411 0.938 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000948306951 611512674 /nfs/dbraw/zinc/51/26/74/611512674.db2.gz SKXCMQXTRHVXQV-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926142175 611518901 /nfs/dbraw/zinc/51/89/01/611518901.db2.gz NYMZHIBPUQAQCQ-MUDKKEKZSA-N 1 1 333.476 0.680 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000931597560 611552640 /nfs/dbraw/zinc/55/26/40/611552640.db2.gz BYDZDMPRENJZPV-BBRMVZONSA-N 1 1 344.390 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@@H]1C ZINC000947571453 611601813 /nfs/dbraw/zinc/60/18/13/611601813.db2.gz FELUIGAFNQMTBS-STQMWFEESA-N 1 1 327.388 0.547 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C ZINC000947082611 611638122 /nfs/dbraw/zinc/63/81/22/611638122.db2.gz VSHPNHNCVGRJFP-OIISXLGYSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C ZINC000947082611 611638123 /nfs/dbraw/zinc/63/81/23/611638123.db2.gz VSHPNHNCVGRJFP-OIISXLGYSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000949292040 608615211 /nfs/dbraw/zinc/61/52/11/608615211.db2.gz BAGLHTPVUPWODJ-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ncoc1CC ZINC000949182754 608641238 /nfs/dbraw/zinc/64/12/38/608641238.db2.gz AFRHJXXSMNZADU-KBPBESRZSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ncoc1CC ZINC000949182754 608641243 /nfs/dbraw/zinc/64/12/43/608641243.db2.gz AFRHJXXSMNZADU-KBPBESRZSA-N 1 1 344.415 0.665 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC000949391805 608666297 /nfs/dbraw/zinc/66/62/97/608666297.db2.gz XZMANFRPMGDEMP-UHFFFAOYSA-N 1 1 330.388 0.513 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC000949391805 608666299 /nfs/dbraw/zinc/66/62/99/608666299.db2.gz XZMANFRPMGDEMP-UHFFFAOYSA-N 1 1 330.388 0.513 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC000949423853 608673651 /nfs/dbraw/zinc/67/36/51/608673651.db2.gz SHFOUBSJFUTJCR-KRWDZBQOSA-N 1 1 335.448 0.782 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C#CC2CC2)C1 ZINC000937403237 608722022 /nfs/dbraw/zinc/72/20/22/608722022.db2.gz UHQNCBBBUMUKQV-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C#CC2CC2)C1 ZINC000937403237 608722024 /nfs/dbraw/zinc/72/20/24/608722024.db2.gz UHQNCBBBUMUKQV-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@@H]1C ZINC000947796407 608779105 /nfs/dbraw/zinc/77/91/05/608779105.db2.gz LTCBWZYSYMWMPK-GJZGRUSLSA-N 1 1 346.435 0.171 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934252754 608803367 /nfs/dbraw/zinc/80/33/67/608803367.db2.gz PFHYRQMYSDJOLW-NZSAHSFTSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000934252754 608803371 /nfs/dbraw/zinc/80/33/71/608803371.db2.gz PFHYRQMYSDJOLW-NZSAHSFTSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000934252754 608803375 /nfs/dbraw/zinc/80/33/75/608803375.db2.gz PFHYRQMYSDJOLW-NZSAHSFTSA-N 1 1 345.443 0.829 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934256033 608804064 /nfs/dbraw/zinc/80/40/64/608804064.db2.gz ZEUBBSGYKVZBOV-MUQADHOPSA-N 1 1 336.480 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CCOCC1 ZINC000936970507 608825110 /nfs/dbraw/zinc/82/51/10/608825110.db2.gz WXHULGVJCMHEKO-ULQDDVLXSA-N 1 1 343.427 0.242 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CCOCC1 ZINC000936970507 608825112 /nfs/dbraw/zinc/82/51/12/608825112.db2.gz WXHULGVJCMHEKO-ULQDDVLXSA-N 1 1 343.427 0.242 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C[C@H]1C ZINC000947730266 611668974 /nfs/dbraw/zinc/66/89/74/611668974.db2.gz CDBSRKIPSCFITO-KGLIPLIRSA-N 1 1 330.432 0.957 20 30 ECEDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)NCC#CCO)[C@@H]1c1cnn(C)c1 ZINC000923763244 608938365 /nfs/dbraw/zinc/93/83/65/608938365.db2.gz XSEDDEVKKRJULS-DOTOQJQBSA-N 1 1 347.463 0.830 20 30 ECEDMO C[C@@H](CNC(=O)NCC#CCO)[NH+]1CCN(c2ccccc2)CC1 ZINC000923786505 608948262 /nfs/dbraw/zinc/94/82/62/608948262.db2.gz USSUEFJMHHWPOZ-INIZCTEOSA-N 1 1 330.432 0.492 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cscn2)C1 ZINC000937746059 609069451 /nfs/dbraw/zinc/06/94/51/609069451.db2.gz OVWYWQTXOWTQND-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cscn2)C1 ZINC000937746059 609069453 /nfs/dbraw/zinc/06/94/53/609069453.db2.gz OVWYWQTXOWTQND-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000178322438 609077815 /nfs/dbraw/zinc/07/78/15/609077815.db2.gz NHNSYIRPWKYROE-HIFRSBDPSA-N 1 1 338.433 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)OC ZINC000937265268 609092689 /nfs/dbraw/zinc/09/26/89/609092689.db2.gz JVZKCBFROJGGMQ-PMPSAXMXSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)OC ZINC000937265268 609092690 /nfs/dbraw/zinc/09/26/90/609092690.db2.gz JVZKCBFROJGGMQ-PMPSAXMXSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2csnc2C)C1 ZINC000937852934 609116238 /nfs/dbraw/zinc/11/62/38/609116238.db2.gz ZNQBBIQVXQNNHT-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2csnc2C)C1 ZINC000937852934 609116243 /nfs/dbraw/zinc/11/62/43/609116243.db2.gz ZNQBBIQVXQNNHT-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000937977061 609429447 /nfs/dbraw/zinc/42/94/47/609429447.db2.gz KOJHHEXJVDUNQF-CABCVRRESA-N 1 1 330.432 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000938170435 609481712 /nfs/dbraw/zinc/48/17/12/609481712.db2.gz HPBRFBYYKFTNSG-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000938170435 609481715 /nfs/dbraw/zinc/48/17/15/609481715.db2.gz HPBRFBYYKFTNSG-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(C)(F)F)C1 ZINC000938171143 609483181 /nfs/dbraw/zinc/48/31/81/609483181.db2.gz XQCCIZSTIFDYGV-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(C)(F)F)C1 ZINC000938171143 609483182 /nfs/dbraw/zinc/48/31/82/609483182.db2.gz XQCCIZSTIFDYGV-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnc(C)s2)C1 ZINC000938172272 609485172 /nfs/dbraw/zinc/48/51/72/609485172.db2.gz RVLUEQGPEUWYEZ-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnc(C)s2)C1 ZINC000938172272 609485175 /nfs/dbraw/zinc/48/51/75/609485175.db2.gz RVLUEQGPEUWYEZ-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938226714 609551794 /nfs/dbraw/zinc/55/17/94/609551794.db2.gz VWRGMLXSCVLLBS-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000919975196 609667403 /nfs/dbraw/zinc/66/74/03/609667403.db2.gz UFHZDWBCQGPAES-ZFWWWQNUSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000919975196 609667404 /nfs/dbraw/zinc/66/74/04/609667404.db2.gz UFHZDWBCQGPAES-ZFWWWQNUSA-N 1 1 336.461 0.779 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)c2cnn(CCC#N)c2C)CC[N@H+](C)C1 ZINC000910414015 609720551 /nfs/dbraw/zinc/72/05/51/609720551.db2.gz ZNRKXJRZOIAFGH-ZDUSSCGKSA-N 1 1 333.392 0.282 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)c2cnn(CCC#N)c2C)CC[N@@H+](C)C1 ZINC000910414015 609720554 /nfs/dbraw/zinc/72/05/54/609720554.db2.gz ZNRKXJRZOIAFGH-ZDUSSCGKSA-N 1 1 333.392 0.282 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1C ZINC000948071443 609721708 /nfs/dbraw/zinc/72/17/08/609721708.db2.gz YCJYVVJTRPTBNE-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000938317948 609731460 /nfs/dbraw/zinc/73/14/60/609731460.db2.gz ZIRWWVHCVPJVBP-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)CC1 ZINC000948865528 609774042 /nfs/dbraw/zinc/77/40/42/609774042.db2.gz RGPKUUMPQZGBKZ-CQSZACIVSA-N 1 1 336.436 0.817 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000910920195 609780290 /nfs/dbraw/zinc/78/02/90/609780290.db2.gz QMUJMNVVKZZCNS-ZACQAIPSSA-N 1 1 349.475 0.859 20 30 ECEDMO C[C@H]1CN(S(=O)(=O)CC(C)(C)C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000914307648 609876993 /nfs/dbraw/zinc/87/69/93/609876993.db2.gz GWQYGSFTMDKDIC-LSDHHAIUSA-N 1 1 342.509 0.824 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000912299591 609944911 /nfs/dbraw/zinc/94/49/11/609944911.db2.gz AWNZOBHMKPEWFY-WBMJQRKESA-N 1 1 334.445 0.723 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000938705584 609953837 /nfs/dbraw/zinc/95/38/37/609953837.db2.gz UXODBPWJXFTWLK-XOKHGSTOSA-N 1 1 340.427 0.734 20 30 ECEDMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=NN1CC[NH+](C)CC1 ZINC000917022740 609958151 /nfs/dbraw/zinc/95/81/51/609958151.db2.gz HUQPOAZDWNWIHX-AWEZNQCLSA-N 1 1 339.465 0.441 20 30 ECEDMO C#CCN(C(=O)N[C@H](C)CN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000917228339 609964653 /nfs/dbraw/zinc/96/46/53/609964653.db2.gz SSJGPPYSKSPRGY-MRXNPFEDSA-N 1 1 335.496 0.361 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccn(C)c2)C1 ZINC000938756305 609981985 /nfs/dbraw/zinc/98/19/85/609981985.db2.gz MIZKQJZPLSHPRM-IRXDYDNUSA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccn(C)c2)C1 ZINC000938756305 609981987 /nfs/dbraw/zinc/98/19/87/609981987.db2.gz MIZKQJZPLSHPRM-IRXDYDNUSA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC000938756431 609982074 /nfs/dbraw/zinc/98/20/74/609982074.db2.gz PDTJQZCFVGCZAZ-KBPBESRZSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC000938756431 609982075 /nfs/dbraw/zinc/98/20/75/609982075.db2.gz PDTJQZCFVGCZAZ-KBPBESRZSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC000938756848 609982807 /nfs/dbraw/zinc/98/28/07/609982807.db2.gz ZIBMWFWCGILFNC-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC000938756848 609982811 /nfs/dbraw/zinc/98/28/11/609982811.db2.gz ZIBMWFWCGILFNC-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC000938756848 609982815 /nfs/dbraw/zinc/98/28/15/609982815.db2.gz ZIBMWFWCGILFNC-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC000938756848 609982816 /nfs/dbraw/zinc/98/28/16/609982816.db2.gz ZIBMWFWCGILFNC-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000917838642 609985389 /nfs/dbraw/zinc/98/53/89/609985389.db2.gz XAMFVCMXFLOVIN-XHSDSOJGSA-N 1 1 337.468 0.725 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000938865086 609996430 /nfs/dbraw/zinc/99/64/30/609996430.db2.gz JWCIFPVIRHXWMA-ZNMIVQPWSA-N 1 1 332.404 0.500 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000912969931 610026029 /nfs/dbraw/zinc/02/60/29/610026029.db2.gz QFCRJIJKUMRDQN-IBGZPJMESA-N 1 1 328.412 0.610 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000938904045 610036459 /nfs/dbraw/zinc/03/64/59/610036459.db2.gz XHSAPEWIIGEGCX-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CCOCC2)C1 ZINC000939106563 610083153 /nfs/dbraw/zinc/08/31/53/610083153.db2.gz FGKZSWRXNQVTOK-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CCOCC2)C1 ZINC000939106563 610083155 /nfs/dbraw/zinc/08/31/55/610083155.db2.gz FGKZSWRXNQVTOK-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000939699612 610090958 /nfs/dbraw/zinc/09/09/58/610090958.db2.gz OMGPYIJFGFHHOW-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cc(C)on2)C1 ZINC000939768905 610119685 /nfs/dbraw/zinc/11/96/85/610119685.db2.gz XSCLWKXYGPRVHA-ZBFHGGJFSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cc(C)on2)C1 ZINC000939768905 610119686 /nfs/dbraw/zinc/11/96/86/610119686.db2.gz XSCLWKXYGPRVHA-ZBFHGGJFSA-N 1 1 344.415 0.340 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1)C1CCC1 ZINC000940063426 610199169 /nfs/dbraw/zinc/19/91/69/610199169.db2.gz BJRDPDVAWGBEHM-CYBMUJFWSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000940287443 610259685 /nfs/dbraw/zinc/25/96/85/610259685.db2.gz GWCALGYCTXOSCV-XJKCOSOUSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000940514051 610293304 /nfs/dbraw/zinc/29/33/04/610293304.db2.gz ZPBYSPNTUZMHBB-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cc3ccn(CC)n3)CC2)C1 ZINC000941417012 610304581 /nfs/dbraw/zinc/30/45/81/610304581.db2.gz SFYHIQIBCUICMO-UHFFFAOYSA-N 1 1 331.464 0.850 20 30 ECEDMO C=CCN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941433135 610313234 /nfs/dbraw/zinc/31/32/34/610313234.db2.gz ODYJKNHLAJHMEX-KRWDZBQOSA-N 1 1 334.508 0.979 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941455730 610318110 /nfs/dbraw/zinc/31/81/10/610318110.db2.gz BXKTWKQZSVBGIA-WBVHZDCISA-N 1 1 331.464 0.355 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCNC2=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940658981 610326727 /nfs/dbraw/zinc/32/67/27/610326727.db2.gz UCYGSIPLRHLHHD-UONOGXRCSA-N 1 1 329.404 0.605 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC000941479736 610334647 /nfs/dbraw/zinc/33/46/47/610334647.db2.gz SAIXDABXWCTURX-OAHLLOKOSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3snnc3CC)CC2)C1 ZINC000941480885 610335323 /nfs/dbraw/zinc/33/53/23/610335323.db2.gz QOHZLZSECQEFKW-UHFFFAOYSA-N 1 1 333.461 0.566 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)C1 ZINC000941487581 610338748 /nfs/dbraw/zinc/33/87/48/610338748.db2.gz OAJLAVKOPGSUMR-UHFFFAOYSA-N 1 1 346.431 0.402 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000940785276 610360589 /nfs/dbraw/zinc/36/05/89/610360589.db2.gz JFKNEZJDHXMXIM-CQSZACIVSA-N 1 1 343.493 0.815 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@H+]1C ZINC000940812609 610386273 /nfs/dbraw/zinc/38/62/73/610386273.db2.gz MUJIVRCPFVAIJF-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4nccn4c3)CC2)C1 ZINC000941634871 610420416 /nfs/dbraw/zinc/42/04/16/610420416.db2.gz LTKZGZHACRLMPQ-UHFFFAOYSA-N 1 1 325.416 0.962 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC000941654988 610429834 /nfs/dbraw/zinc/42/98/34/610429834.db2.gz PMSFJNAAUKISOE-UHFFFAOYSA-N 1 1 329.448 0.204 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](C)C1 ZINC000942391925 610433250 /nfs/dbraw/zinc/43/32/50/610433250.db2.gz HKUPGMMRNNKGIX-LSDHHAIUSA-N 1 1 348.447 0.906 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3nccs3)CC2)C1 ZINC000941669287 610459138 /nfs/dbraw/zinc/45/91/38/610459138.db2.gz XYOQGLSYDCNXKO-UHFFFAOYSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)C1 ZINC000941682463 610461795 /nfs/dbraw/zinc/46/17/95/610461795.db2.gz UDGIGPZXEBJFML-QGZVFWFLSA-N 1 1 343.475 0.913 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000942451009 610466383 /nfs/dbraw/zinc/46/63/83/610466383.db2.gz JWCIFPVIRHXWMA-KFWWJZLASA-N 1 1 332.404 0.500 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H](C)C1 ZINC000942528049 610500288 /nfs/dbraw/zinc/50/02/88/610500288.db2.gz WZHGYFFIZMZAID-JSGCOSHPSA-N 1 1 341.415 0.795 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000941091197 610531856 /nfs/dbraw/zinc/53/18/56/610531856.db2.gz OZVSLKDFZCDXBL-AWEZNQCLSA-N 1 1 348.451 0.582 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941091584 610532248 /nfs/dbraw/zinc/53/22/48/610532248.db2.gz XHSDOYXNKJXODH-KGLIPLIRSA-N 1 1 341.477 0.260 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000941103255 610537963 /nfs/dbraw/zinc/53/79/63/610537963.db2.gz QZVXRFHCQJTBNB-OAGGEKHMSA-N 1 1 335.448 0.590 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2C)c1 ZINC000942618384 610539387 /nfs/dbraw/zinc/53/93/87/610539387.db2.gz VESQALDTTXGEET-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000941874664 610548494 /nfs/dbraw/zinc/54/84/94/610548494.db2.gz IYAAYNNMWMMJDM-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1C ZINC000947898518 610555303 /nfs/dbraw/zinc/55/53/03/610555303.db2.gz JHLHJCVOZFSBFU-OIISXLGYSA-N 1 1 345.443 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1C ZINC000947898518 610555305 /nfs/dbraw/zinc/55/53/05/610555305.db2.gz JHLHJCVOZFSBFU-OIISXLGYSA-N 1 1 345.443 0.741 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000941172995 610575251 /nfs/dbraw/zinc/57/52/51/610575251.db2.gz NUYBXULXQGXXNL-OAHLLOKOSA-N 1 1 331.416 0.916 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000941190531 610585406 /nfs/dbraw/zinc/58/54/06/610585406.db2.gz DIVKZFXZJYRGGZ-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941963684 610586318 /nfs/dbraw/zinc/58/63/18/610586318.db2.gz MMLMIFLKAFCCTG-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965482 610587765 /nfs/dbraw/zinc/58/77/65/610587765.db2.gz YDHHSIZFNNOPKW-NHYWBVRUSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965482 610587767 /nfs/dbraw/zinc/58/77/67/610587767.db2.gz YDHHSIZFNNOPKW-NHYWBVRUSA-N 1 1 327.392 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](CC)SC)C1 ZINC000941238314 610622021 /nfs/dbraw/zinc/62/20/21/610622021.db2.gz YIKWKLXAGPRAPS-QLFBSQMISA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](CC)SC)C1 ZINC000941238314 610622024 /nfs/dbraw/zinc/62/20/24/610622024.db2.gz YIKWKLXAGPRAPS-QLFBSQMISA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000941238306 610622403 /nfs/dbraw/zinc/62/24/03/610622403.db2.gz YBMOIPOPKSVVBZ-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000941238306 610622405 /nfs/dbraw/zinc/62/24/05/610622405.db2.gz YBMOIPOPKSVVBZ-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000942852625 610657537 /nfs/dbraw/zinc/65/75/37/610657537.db2.gz RRNVNTDRPMAKNH-QWHCGFSZSA-N 1 1 347.419 0.959 20 30 ECEDMO Cc1noc(CCC[NH+]2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC000941348889 610685318 /nfs/dbraw/zinc/68/53/18/610685318.db2.gz SFTGJDMOKJSASK-ZDUSSCGKSA-N 1 1 346.435 0.299 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2nc(OC)cc(OC)n2)[C@H](C)C1 ZINC000942184011 610687529 /nfs/dbraw/zinc/68/75/29/610687529.db2.gz QCGBUJFZMNLQFZ-OLZOCXBDSA-N 1 1 332.404 0.957 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000942189568 610690080 /nfs/dbraw/zinc/69/00/80/610690080.db2.gz SUCYONZAZKYUFJ-ZYHUDNBSSA-N 1 1 327.406 0.553 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000942199744 610693810 /nfs/dbraw/zinc/69/38/10/610693810.db2.gz GTXNJMOWFCPQAD-JKSUJKDBSA-N 1 1 336.480 0.553 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C3(c4ccccn4)CC3)CC2)C1 ZINC000941410455 610721281 /nfs/dbraw/zinc/72/12/81/610721281.db2.gz IQXOEKHXRVOAMS-UHFFFAOYSA-N 1 1 338.455 0.965 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943154509 610737046 /nfs/dbraw/zinc/73/70/46/610737046.db2.gz AMKHUVXPIGUNHW-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943154509 610737047 /nfs/dbraw/zinc/73/70/47/610737047.db2.gz AMKHUVXPIGUNHW-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]nc1C ZINC000944177383 610777713 /nfs/dbraw/zinc/77/77/13/610777713.db2.gz XTZFKBZMCLQDAQ-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]nc1C ZINC000944177383 610777716 /nfs/dbraw/zinc/77/77/16/610777716.db2.gz XTZFKBZMCLQDAQ-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccncn1 ZINC000944225398 610795698 /nfs/dbraw/zinc/79/56/98/610795698.db2.gz UWQWTYADGLAFNQ-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccncn1 ZINC000944225398 610795700 /nfs/dbraw/zinc/79/57/00/610795700.db2.gz UWQWTYADGLAFNQ-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000944299079 610827106 /nfs/dbraw/zinc/82/71/06/610827106.db2.gz RGBUSNQNIZFZLY-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2cnco2)C1 ZINC000943397019 610835305 /nfs/dbraw/zinc/83/53/05/610835305.db2.gz QQRGXKGXJBZCLL-GJZGRUSLSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2cnco2)C1 ZINC000943397019 610835306 /nfs/dbraw/zinc/83/53/06/610835306.db2.gz QQRGXKGXJBZCLL-GJZGRUSLSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2C)cc1 ZINC000943464672 610851191 /nfs/dbraw/zinc/85/11/91/610851191.db2.gz IVYPLHKKRNZWDO-BBRMVZONSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2C)cc1 ZINC000943464672 610851193 /nfs/dbraw/zinc/85/11/93/610851193.db2.gz IVYPLHKKRNZWDO-BBRMVZONSA-N 1 1 329.400 0.624 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2C)nn1 ZINC000943500377 610885026 /nfs/dbraw/zinc/88/50/26/610885026.db2.gz XONGFGGIMVGXOA-ZIAGYGMSSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccnn2C)CC1 ZINC000945048815 610900201 /nfs/dbraw/zinc/90/02/01/610900201.db2.gz OHQQPOULFHFTSA-HNNXBMFYSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccnn2C)CC1 ZINC000945048815 610900203 /nfs/dbraw/zinc/90/02/03/610900203.db2.gz OHQQPOULFHFTSA-HNNXBMFYSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000945049002 610900618 /nfs/dbraw/zinc/90/06/18/610900618.db2.gz QQDVUGFQGMOBDJ-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000945049002 610900620 /nfs/dbraw/zinc/90/06/20/610900620.db2.gz QQDVUGFQGMOBDJ-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](C)C1 ZINC000945178686 610933488 /nfs/dbraw/zinc/93/34/88/610933488.db2.gz GFCZAWYXSOVDHC-KGLIPLIRSA-N 1 1 348.451 0.383 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 ZINC000944535803 610954220 /nfs/dbraw/zinc/95/42/20/610954220.db2.gz ZONDKCZJZXWIQG-ZFWWWQNUSA-N 1 1 335.452 0.683 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@H](C)C1 ZINC000943761174 610978661 /nfs/dbraw/zinc/97/86/61/610978661.db2.gz IMAYFSPQZUHXHZ-RISCZKNCSA-N 1 1 332.404 0.589 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000943761175 610978899 /nfs/dbraw/zinc/97/88/99/610978899.db2.gz IMAYFSPQZUHXHZ-SMDDNHRTSA-N 1 1 332.404 0.589 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@H](C)C1 ZINC000944621590 611018499 /nfs/dbraw/zinc/01/84/99/611018499.db2.gz XMWYMXVULHQRJC-BXUZGUMPSA-N 1 1 326.404 0.815 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000944661710 611063449 /nfs/dbraw/zinc/06/34/49/611063449.db2.gz PWTVGALHVZMAPA-HNNXBMFYSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000944661710 611063452 /nfs/dbraw/zinc/06/34/52/611063452.db2.gz PWTVGALHVZMAPA-HNNXBMFYSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H](C)C1 ZINC000944033165 611097522 /nfs/dbraw/zinc/09/75/22/611097522.db2.gz JVBAOHIGZBGART-CABCVRRESA-N 1 1 345.447 0.231 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cc3c([nH]c2=O)CCOC3)[C@@H](C)C1 ZINC000944082018 611117996 /nfs/dbraw/zinc/11/79/96/611117996.db2.gz VKOFUWBVKHSALL-WFASDCNBSA-N 1 1 329.400 0.933 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1[nH]cnc1C ZINC000944097412 611130368 /nfs/dbraw/zinc/13/03/68/611130368.db2.gz BKTWUMDLWLOESL-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1[nH]cnc1C ZINC000944097412 611130369 /nfs/dbraw/zinc/13/03/69/611130369.db2.gz BKTWUMDLWLOESL-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccnn1C ZINC000944097883 611130677 /nfs/dbraw/zinc/13/06/77/611130677.db2.gz OPTGVFFGJRAAQV-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccnn1C ZINC000944097883 611130678 /nfs/dbraw/zinc/13/06/78/611130678.db2.gz OPTGVFFGJRAAQV-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC000923334426 611230764 /nfs/dbraw/zinc/23/07/64/611230764.db2.gz XDVOFTXURHWKOV-SJORKVTESA-N 1 1 328.416 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(C(=O)OC(C)(C)C)=NO2)C1 ZINC000923561648 611262749 /nfs/dbraw/zinc/26/27/49/611262749.db2.gz IEAAFTSMRCMCTR-TZMCWYRMSA-N 1 1 335.404 0.687 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(C(=O)OC(C)(C)C)=NO2)C1 ZINC000923561648 611262751 /nfs/dbraw/zinc/26/27/51/611262751.db2.gz IEAAFTSMRCMCTR-TZMCWYRMSA-N 1 1 335.404 0.687 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)C1 ZINC000923571917 611265037 /nfs/dbraw/zinc/26/50/37/611265037.db2.gz TXZITOULWYJRGA-HUUCEWRRSA-N 1 1 341.477 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)C1 ZINC000923571917 611265040 /nfs/dbraw/zinc/26/50/40/611265040.db2.gz TXZITOULWYJRGA-HUUCEWRRSA-N 1 1 341.477 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)C1 ZINC000923581831 611269570 /nfs/dbraw/zinc/26/95/70/611269570.db2.gz KPTKTAJIRWIQNQ-LSDHHAIUSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)C1 ZINC000923581831 611269571 /nfs/dbraw/zinc/26/95/71/611269571.db2.gz KPTKTAJIRWIQNQ-LSDHHAIUSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC000947944639 611281398 /nfs/dbraw/zinc/28/13/98/611281398.db2.gz XISNPVQQJQEZOR-OLZOCXBDSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC000947944639 611281399 /nfs/dbraw/zinc/28/13/99/611281399.db2.gz XISNPVQQJQEZOR-OLZOCXBDSA-N 1 1 330.388 0.162 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC000947925418 611283494 /nfs/dbraw/zinc/28/34/94/611283494.db2.gz PMBROCCUDYJSPD-KGLIPLIRSA-N 1 1 336.436 0.816 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C ZINC000947925419 611283575 /nfs/dbraw/zinc/28/35/75/611283575.db2.gz PMBROCCUDYJSPD-UONOGXRCSA-N 1 1 336.436 0.816 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@@H]1C ZINC000947925850 611285578 /nfs/dbraw/zinc/28/55/78/611285578.db2.gz SIJWICVBLFVFEE-QWRGUYRKSA-N 1 1 334.376 0.502 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2CC1 ZINC000946521549 611298953 /nfs/dbraw/zinc/29/89/53/611298953.db2.gz VOFJJPWYXYZXOT-CAOSSQGBSA-N 1 1 332.448 0.937 20 30 ECEDMO N#Cc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cs1 ZINC000921747104 611311835 /nfs/dbraw/zinc/31/18/35/611311835.db2.gz SKWVYTRRCJBLCC-ZIAGYGMSSA-N 1 1 341.458 0.207 20 30 ECEDMO N#Cc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cs1 ZINC000921747099 611311861 /nfs/dbraw/zinc/31/18/61/611311861.db2.gz SKWVYTRRCJBLCC-KGLIPLIRSA-N 1 1 341.458 0.207 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921912240 611326180 /nfs/dbraw/zinc/32/61/80/611326180.db2.gz WRMNSFXSHHOHGK-AWEZNQCLSA-N 1 1 330.454 0.310 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000933622277 611735887 /nfs/dbraw/zinc/73/58/87/611735887.db2.gz CXLMOCCZUZYPHA-GFCCVEGCSA-N 1 1 338.408 0.693 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(N3CCCOC3=O)CC2)CC1 ZINC000933618812 611736015 /nfs/dbraw/zinc/73/60/15/611736015.db2.gz LBPAQXQCPZXEQX-UHFFFAOYSA-N 1 1 348.447 0.071 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C ZINC000947929745 611744723 /nfs/dbraw/zinc/74/47/23/611744723.db2.gz NUFBIHNTHZCSIE-OLZOCXBDSA-N 1 1 344.419 0.967 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H](C)C2)cn1 ZINC000947946395 611751773 /nfs/dbraw/zinc/75/17/73/611751773.db2.gz AKHXAKBVZNOSEH-YOEHRIQHSA-N 1 1 338.415 0.937 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H](C)C2)cn1 ZINC000947949331 611752997 /nfs/dbraw/zinc/75/29/97/611752997.db2.gz UFTZFMABJLTZKE-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(CNC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000948956067 611767766 /nfs/dbraw/zinc/76/77/66/611767766.db2.gz LPSUGDXQLWYEDB-CQSZACIVSA-N 1 1 343.431 0.806 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H]1CCC2(COC2)O1 ZINC000929822712 611797528 /nfs/dbraw/zinc/79/75/28/611797528.db2.gz CPZRUHCHXYMZLH-ZIAGYGMSSA-N 1 1 329.404 0.807 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1CCC2(COC2)O1 ZINC000929822712 611797531 /nfs/dbraw/zinc/79/75/31/611797531.db2.gz CPZRUHCHXYMZLH-ZIAGYGMSSA-N 1 1 329.404 0.807 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(CC)C(=O)[C@H]3CCCC[N@H+]3C)C2)C1=O ZINC000950631455 611805358 /nfs/dbraw/zinc/80/53/58/611805358.db2.gz OCEHLTLVSQVJAT-SJORKVTESA-N 1 1 348.491 0.790 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC000950648121 611815942 /nfs/dbraw/zinc/81/59/42/611815942.db2.gz AVMWQFGJGYSGQY-OAGGEKHMSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC000950648121 611815945 /nfs/dbraw/zinc/81/59/45/611815945.db2.gz AVMWQFGJGYSGQY-OAGGEKHMSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000950648668 611816629 /nfs/dbraw/zinc/81/66/29/611816629.db2.gz XRZZQJQGEDXBGS-OIISXLGYSA-N 1 1 342.443 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000950648668 611816632 /nfs/dbraw/zinc/81/66/32/611816632.db2.gz XRZZQJQGEDXBGS-OIISXLGYSA-N 1 1 342.443 0.618 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC000950053111 611854210 /nfs/dbraw/zinc/85/42/10/611854210.db2.gz QFYKBWZXVFKWIS-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[NH+]1CCC2(CC1)CN(C(=O)c1cn(C)ccc1=O)CCO2 ZINC000949135666 611868878 /nfs/dbraw/zinc/86/88/78/611868878.db2.gz SNURCIRWQPQMQF-UHFFFAOYSA-N 1 1 329.400 0.326 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000950122469 611873266 /nfs/dbraw/zinc/87/32/66/611873266.db2.gz YTKCUGAEPMEKRN-CABCVRRESA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000950122469 611873268 /nfs/dbraw/zinc/87/32/68/611873268.db2.gz YTKCUGAEPMEKRN-CABCVRRESA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(C)n1C ZINC000950753585 611888918 /nfs/dbraw/zinc/88/89/18/611888918.db2.gz LMBOFQKLOOHDGM-CVEARBPZSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(C)n1C ZINC000950753585 611888919 /nfs/dbraw/zinc/88/89/19/611888919.db2.gz LMBOFQKLOOHDGM-CVEARBPZSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1cscn1 ZINC000950755288 611890776 /nfs/dbraw/zinc/89/07/76/611890776.db2.gz ITJPJGCLOVOZDI-GJZGRUSLSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1cscn1 ZINC000950755288 611890778 /nfs/dbraw/zinc/89/07/78/611890778.db2.gz ITJPJGCLOVOZDI-GJZGRUSLSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c(C)ccn1C ZINC000950755992 611891893 /nfs/dbraw/zinc/89/18/93/611891893.db2.gz ZIANFPFBFKJRIM-HOTGVXAUSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c(C)ccn1C ZINC000950755992 611891894 /nfs/dbraw/zinc/89/18/94/611891894.db2.gz ZIANFPFBFKJRIM-HOTGVXAUSA-N 1 1 342.443 0.762 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)no1 ZINC000950763981 611896279 /nfs/dbraw/zinc/89/62/79/611896279.db2.gz FZHJSAASEXAMDC-AWEZNQCLSA-N 1 1 344.415 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC000949233081 611912028 /nfs/dbraw/zinc/91/20/28/611912028.db2.gz JRBBXFOJCDDXPG-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC000949233081 611912030 /nfs/dbraw/zinc/91/20/30/611912030.db2.gz JRBBXFOJCDDXPG-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC000950252910 611929207 /nfs/dbraw/zinc/92/92/07/611929207.db2.gz BWUQDXKACZFXLA-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC000950252910 611929210 /nfs/dbraw/zinc/92/92/10/611929210.db2.gz BWUQDXKACZFXLA-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000950252545 611929461 /nfs/dbraw/zinc/92/94/61/611929461.db2.gz UFNXXKCZYNNVMF-OFQRWUPVSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CCn3ccnn3)CC2)C1 ZINC000949352097 611949045 /nfs/dbraw/zinc/94/90/45/611949045.db2.gz OZQYVIXQIUVRFZ-UHFFFAOYSA-N 1 1 331.420 0.385 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000949394055 611962514 /nfs/dbraw/zinc/96/25/14/611962514.db2.gz LOFFWZJUPQXYDG-ZBFHGGJFSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000949394055 611962516 /nfs/dbraw/zinc/96/25/16/611962516.db2.gz LOFFWZJUPQXYDG-ZBFHGGJFSA-N 1 1 330.432 0.598 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cn4c(n3)COCC4)CC2)C1 ZINC000949398930 611964552 /nfs/dbraw/zinc/96/45/52/611964552.db2.gz RCZDQGYOOWGKSB-UHFFFAOYSA-N 1 1 346.431 0.906 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cn4c(n3)COCC4)CC2)C1 ZINC000949398930 611964553 /nfs/dbraw/zinc/96/45/53/611964553.db2.gz RCZDQGYOOWGKSB-UHFFFAOYSA-N 1 1 346.431 0.906 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950319719 611969481 /nfs/dbraw/zinc/96/94/81/611969481.db2.gz KYODKYLCPKLMLF-ZIAGYGMSSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000949427291 611975606 /nfs/dbraw/zinc/97/56/06/611975606.db2.gz JHUTUBOADKIBNO-INIZCTEOSA-N 1 1 347.459 0.619 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000949427291 611975607 /nfs/dbraw/zinc/97/56/07/611975607.db2.gz JHUTUBOADKIBNO-INIZCTEOSA-N 1 1 347.459 0.619 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)CC2)C1 ZINC000949427559 611975787 /nfs/dbraw/zinc/97/57/87/611975787.db2.gz PDSDZTJWJDLEOJ-MRXNPFEDSA-N 1 1 348.447 0.987 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)CC2)C1 ZINC000949427559 611975789 /nfs/dbraw/zinc/97/57/89/611975789.db2.gz PDSDZTJWJDLEOJ-MRXNPFEDSA-N 1 1 348.447 0.987 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 ZINC000949471219 611991816 /nfs/dbraw/zinc/99/18/16/611991816.db2.gz UGTTZYYGTVQIEK-QGZVFWFLSA-N 1 1 335.448 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](CCO)CCO3)nc1 ZINC000949508746 612014282 /nfs/dbraw/zinc/01/42/82/612014282.db2.gz APMMAYACNWCMEM-UHFFFAOYSA-N 1 1 329.400 0.362 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)c2cc(C)[nH]n2)CC1 ZINC000950428376 612015276 /nfs/dbraw/zinc/01/52/76/612015276.db2.gz KDLPDBKFALNLQC-HNNXBMFYSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534302 612023951 /nfs/dbraw/zinc/02/39/51/612023951.db2.gz VWLZSJJFOCEUBE-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCN1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC000950502307 612042434 /nfs/dbraw/zinc/04/24/34/612042434.db2.gz PEUQAFTXEPNQGU-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c(C)ncn1C ZINC000950505787 612044238 /nfs/dbraw/zinc/04/42/38/612044238.db2.gz AQUBUUIHIVXKPI-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c(C)ncn1C ZINC000950505787 612044239 /nfs/dbraw/zinc/04/42/39/612044239.db2.gz AQUBUUIHIVXKPI-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nc(CC)no2)C1 ZINC000950533143 612057458 /nfs/dbraw/zinc/05/74/58/612057458.db2.gz ATGUUFSJSXAPAF-HNNXBMFYSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nc(CC)no2)C1 ZINC000950533143 612057459 /nfs/dbraw/zinc/05/74/59/612057459.db2.gz ATGUUFSJSXAPAF-HNNXBMFYSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cc(C)n(C)n2)C1 ZINC000950534081 612058073 /nfs/dbraw/zinc/05/80/73/612058073.db2.gz RIQGKWRGEWEQCY-SFHVURJKSA-N 1 1 343.475 0.859 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cc(C)n(C)n2)C1 ZINC000950534081 612058075 /nfs/dbraw/zinc/05/80/75/612058075.db2.gz RIQGKWRGEWEQCY-SFHVURJKSA-N 1 1 343.475 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000949729222 612069985 /nfs/dbraw/zinc/06/99/85/612069985.db2.gz LAXBXIMJTFSSCU-WBVHZDCISA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000949729222 612069987 /nfs/dbraw/zinc/06/99/87/612069987.db2.gz LAXBXIMJTFSSCU-WBVHZDCISA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cn(CC)cn1 ZINC000951248374 612102932 /nfs/dbraw/zinc/10/29/32/612102932.db2.gz NHNHEYYDZPTUJE-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cn(CC)cn1 ZINC000951248374 612102933 /nfs/dbraw/zinc/10/29/33/612102933.db2.gz NHNHEYYDZPTUJE-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)COC)C2)C1 ZINC000953054073 612148358 /nfs/dbraw/zinc/14/83/58/612148358.db2.gz KGGDGTIYAWNUEJ-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)COC)C2)C1 ZINC000953054073 612148360 /nfs/dbraw/zinc/14/83/60/612148360.db2.gz KGGDGTIYAWNUEJ-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cn2c[nH+]cc2C)nc1 ZINC000951377567 612193923 /nfs/dbraw/zinc/19/39/23/612193923.db2.gz BCNBLBGRLXKWOM-OAHLLOKOSA-N 1 1 337.383 0.599 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000951410790 612211424 /nfs/dbraw/zinc/21/14/24/612211424.db2.gz MQEXQOLGZFJRAC-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@]2(C)CCCOC2)C1 ZINC000955123688 612286153 /nfs/dbraw/zinc/28/61/53/612286153.db2.gz FSJYMJBYHKZCCG-QFBILLFUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@]2(C)CCCOC2)C1 ZINC000955123688 612286157 /nfs/dbraw/zinc/28/61/57/612286157.db2.gz FSJYMJBYHKZCCG-QFBILLFUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]nc2C)C1 ZINC000951518469 612294150 /nfs/dbraw/zinc/29/41/50/612294150.db2.gz JQBZTZRIHWJVJW-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]nc2C)C1 ZINC000951518469 612294151 /nfs/dbraw/zinc/29/41/51/612294151.db2.gz JQBZTZRIHWJVJW-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1)CC2 ZINC000955136734 612299068 /nfs/dbraw/zinc/29/90/68/612299068.db2.gz ONKCSAVYFDJABB-YPMHNXCESA-N 1 1 329.404 0.583 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000955260781 612389764 /nfs/dbraw/zinc/38/97/64/612389764.db2.gz RFZNFICADCIQLN-HNNXBMFYSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000955260781 612389771 /nfs/dbraw/zinc/38/97/71/612389771.db2.gz RFZNFICADCIQLN-HNNXBMFYSA-N 1 1 335.448 0.733 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000953885621 612393026 /nfs/dbraw/zinc/39/30/26/612393026.db2.gz WJGQFEVTAWYXPZ-CYBMUJFWSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000954630316 612467199 /nfs/dbraw/zinc/46/71/99/612467199.db2.gz AWDOOIJOUWCETA-HNNXBMFYSA-N 1 1 343.431 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000954630316 612467202 /nfs/dbraw/zinc/46/72/02/612467202.db2.gz AWDOOIJOUWCETA-HNNXBMFYSA-N 1 1 343.431 0.407 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC(C)(F)F)C1 ZINC000954630847 612468119 /nfs/dbraw/zinc/46/81/19/612468119.db2.gz MIMMMTYKASCULM-ZDUSSCGKSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC(C)(F)F)C1 ZINC000954630847 612468121 /nfs/dbraw/zinc/46/81/21/612468121.db2.gz MIMMMTYKASCULM-ZDUSSCGKSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000954630690 612468410 /nfs/dbraw/zinc/46/84/10/612468410.db2.gz HFIRWCFREYKAFI-NCOADZHNSA-N 1 1 345.443 0.321 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000954630690 612468414 /nfs/dbraw/zinc/46/84/14/612468414.db2.gz HFIRWCFREYKAFI-NCOADZHNSA-N 1 1 345.443 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccncc2)C1 ZINC000954630701 612468504 /nfs/dbraw/zinc/46/85/04/612468504.db2.gz HHDWVTVWAMVFTN-INIZCTEOSA-N 1 1 326.400 0.462 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccncc2)C1 ZINC000954630701 612468506 /nfs/dbraw/zinc/46/85/06/612468506.db2.gz HHDWVTVWAMVFTN-INIZCTEOSA-N 1 1 326.400 0.462 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@](C)(O)C2CC2)C1 ZINC000954631318 612469022 /nfs/dbraw/zinc/46/90/22/612469022.db2.gz WGAHUEQEADXFBM-LPHOPBHVSA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@](C)(O)C2CC2)C1 ZINC000954631318 612469024 /nfs/dbraw/zinc/46/90/24/612469024.db2.gz WGAHUEQEADXFBM-LPHOPBHVSA-N 1 1 347.459 0.304 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC000955349213 612481897 /nfs/dbraw/zinc/48/18/97/612481897.db2.gz KSZNKJUTUZWMFW-XJKSGUPXSA-N 1 1 340.427 0.543 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000951721917 612507775 /nfs/dbraw/zinc/50/77/75/612507775.db2.gz YULHICBAGDOBRL-KCQAQPDRSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnc(C)n1C ZINC000951731882 612523700 /nfs/dbraw/zinc/52/37/00/612523700.db2.gz IHIQOAVYAAULHB-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnc(C)n1C ZINC000951731882 612523708 /nfs/dbraw/zinc/52/37/08/612523708.db2.gz IHIQOAVYAAULHB-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccn(C)c1 ZINC000955965923 612535780 /nfs/dbraw/zinc/53/57/80/612535780.db2.gz BURGRYQWUIXCQT-IRXDYDNUSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccn(C)c1 ZINC000955965923 612535783 /nfs/dbraw/zinc/53/57/83/612535783.db2.gz BURGRYQWUIXCQT-IRXDYDNUSA-N 1 1 342.443 0.844 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC000954704733 612570875 /nfs/dbraw/zinc/57/08/75/612570875.db2.gz DOESNPBXZKJRMY-OAHLLOKOSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nccs1 ZINC000951815595 612657279 /nfs/dbraw/zinc/65/72/79/612657279.db2.gz LQPWFHRJWQQHEY-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nccs1 ZINC000951815595 612657282 /nfs/dbraw/zinc/65/72/82/612657282.db2.gz LQPWFHRJWQQHEY-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccnnc1 ZINC000956249626 612801392 /nfs/dbraw/zinc/80/13/92/612801392.db2.gz JKYMJHCOFUFHIB-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccnnc1 ZINC000956249626 612801394 /nfs/dbraw/zinc/80/13/94/612801394.db2.gz JKYMJHCOFUFHIB-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000955077419 612885534 /nfs/dbraw/zinc/88/55/34/612885534.db2.gz CJBUKNBUBOOEKM-HNNXBMFYSA-N 1 1 337.464 0.977 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000955077419 612885535 /nfs/dbraw/zinc/88/55/35/612885535.db2.gz CJBUKNBUBOOEKM-HNNXBMFYSA-N 1 1 337.464 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cccn2C)C1 ZINC000956708375 612935254 /nfs/dbraw/zinc/93/52/54/612935254.db2.gz ALDLYSMNVIBZLZ-LPHOPBHVSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cccn2C)C1 ZINC000956708375 612935255 /nfs/dbraw/zinc/93/52/55/612935255.db2.gz ALDLYSMNVIBZLZ-LPHOPBHVSA-N 1 1 342.443 0.844 20 30 ECEDMO Cc1nc(C#N)cnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738159 720745952 /nfs/dbraw/zinc/74/59/52/720745952.db2.gz DVMBJVYSQKMWFA-HUUCEWRRSA-N 1 1 337.387 0.789 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C)nc(C#N)n3)CC[C@H]2C1 ZINC001164858907 720860341 /nfs/dbraw/zinc/86/03/41/720860341.db2.gz SRQBKSSHOBMSCY-GJZGRUSLSA-N 1 1 331.420 0.830 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC001041786180 782203500 /nfs/dbraw/zinc/20/35/00/782203500.db2.gz RPTOPYHYVZSIPH-QGZVFWFLSA-N 1 1 325.372 0.606 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)[C@H]2C1 ZINC001083236301 735502206 /nfs/dbraw/zinc/50/22/06/735502206.db2.gz UWXFNKVPIUUADN-VNQPRFMTSA-N 1 1 347.419 0.026 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)[C@H]2C1 ZINC001083236301 735502211 /nfs/dbraw/zinc/50/22/11/735502211.db2.gz UWXFNKVPIUUADN-VNQPRFMTSA-N 1 1 347.419 0.026 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3coc(OC)n3)C2)C1=O ZINC000972015804 735506544 /nfs/dbraw/zinc/50/65/44/735506544.db2.gz GFBHCSZAWBJYKX-GXTWGEPZSA-N 1 1 348.403 0.616 20 30 ECEDMO Cc1nsc(NC[C@@H](C)N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001104538151 738447136 /nfs/dbraw/zinc/44/71/36/738447136.db2.gz LFUCNDHPYHTMCA-MFKMUULPSA-N 1 1 337.449 0.913 20 30 ECEDMO Cc1nsc(NC[C@@H](C)N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001104538151 738447138 /nfs/dbraw/zinc/44/71/38/738447138.db2.gz LFUCNDHPYHTMCA-MFKMUULPSA-N 1 1 337.449 0.913 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3ccon3)C(C)(C)C2)C1=O ZINC000972975267 738460005 /nfs/dbraw/zinc/46/00/05/738460005.db2.gz IVGOYQIZYNFGES-HUUCEWRRSA-N 1 1 346.431 0.831 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3ccon3)C(C)(C)C2)C1=O ZINC000972975267 738460007 /nfs/dbraw/zinc/46/00/07/738460007.db2.gz IVGOYQIZYNFGES-HUUCEWRRSA-N 1 1 346.431 0.831 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](C)C(=O)NC)C3)C2)nc1 ZINC001041793453 782221214 /nfs/dbraw/zinc/22/12/14/782221214.db2.gz KNSQAJQGVIJWSS-IFXJQAMLSA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 ZINC001125280392 731577127 /nfs/dbraw/zinc/57/71/27/731577127.db2.gz RHSAHGDDXHMRIY-UKRRQHHQSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C(=O)NC)nc3)C2)C1 ZINC001041792660 782219961 /nfs/dbraw/zinc/21/99/61/782219961.db2.gz SSVOHUQJYLWKJX-GOSISDBHSA-N 1 1 326.400 0.612 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc3nccn3c2)[C@@H](n2ccnn2)C1 ZINC001069979484 790272627 /nfs/dbraw/zinc/27/26/27/790272627.db2.gz JHEUHNGNPJVYKU-KGLIPLIRSA-N 1 1 338.375 0.162 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc3nccn3c2)[C@@H](n2ccnn2)C1 ZINC001069979484 790272632 /nfs/dbraw/zinc/27/26/32/790272632.db2.gz JHEUHNGNPJVYKU-KGLIPLIRSA-N 1 1 338.375 0.162 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cnn(C)c3C)C2)C1=O ZINC000969314448 731704613 /nfs/dbraw/zinc/70/46/13/731704613.db2.gz XBZZWEOAYLQXOT-BLLLJJGKSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cnns3)C2)C1=O ZINC000969349380 731745813 /nfs/dbraw/zinc/74/58/13/731745813.db2.gz QQHUJBWIRHHOHC-ZYHUDNBSSA-N 1 1 335.433 0.375 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973008846 738539242 /nfs/dbraw/zinc/53/92/42/738539242.db2.gz HHKHNULCCWOOFC-NHYWBVRUSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973008846 738539245 /nfs/dbraw/zinc/53/92/45/738539245.db2.gz HHKHNULCCWOOFC-NHYWBVRUSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973008847 738539423 /nfs/dbraw/zinc/53/94/23/738539423.db2.gz HHKHNULCCWOOFC-XHDPSFHLSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973008847 738539425 /nfs/dbraw/zinc/53/94/25/738539425.db2.gz HHKHNULCCWOOFC-XHDPSFHLSA-N 1 1 343.431 0.994 20 30 ECEDMO C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407571 731814830 /nfs/dbraw/zinc/81/48/30/731814830.db2.gz KRNGCEMIOBJCCJ-IQXANGCESA-N 1 1 325.840 0.793 20 30 ECEDMO C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969407571 731814832 /nfs/dbraw/zinc/81/48/32/731814832.db2.gz KRNGCEMIOBJCCJ-IQXANGCESA-N 1 1 325.840 0.793 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cn(C)nc3C)C2)C1=O ZINC000969416869 731838357 /nfs/dbraw/zinc/83/83/57/731838357.db2.gz CMXKVHLUSYCAGL-MLGOLLRUSA-N 1 1 345.447 0.566 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](n2ccnn2)C1 ZINC001069980304 790274267 /nfs/dbraw/zinc/27/42/67/790274267.db2.gz NBCNBCMZSBANMG-CVEARBPZSA-N 1 1 343.435 0.791 20 30 ECEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001111961254 738548766 /nfs/dbraw/zinc/54/87/66/738548766.db2.gz PGMIXUATZHTNJO-YJBOKZPZSA-N 1 1 347.463 0.827 20 30 ECEDMO C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)CNC(=O)C1 ZINC000969440547 731881090 /nfs/dbraw/zinc/88/10/90/731881090.db2.gz RPMZWBHNRRQGCR-CRAIPNDOSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001041808684 782246372 /nfs/dbraw/zinc/24/63/72/782246372.db2.gz NGTHUFCWUWONOM-VMGRFDJRSA-N 1 1 346.406 0.969 20 30 ECEDMO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001041808684 782246378 /nfs/dbraw/zinc/24/63/78/782246378.db2.gz NGTHUFCWUWONOM-VMGRFDJRSA-N 1 1 346.406 0.969 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC000969453581 731904688 /nfs/dbraw/zinc/90/46/88/731904688.db2.gz ZEXSTPBJLVDRNY-WFASDCNBSA-N 1 1 344.415 0.624 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cn(C)cn3)C2)C1=O ZINC000969499757 731932722 /nfs/dbraw/zinc/93/27/22/731932722.db2.gz ARKWDYYTYBHCQP-SWLSCSKDSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc(OC)no3)C2)C1=O ZINC000969521249 731942143 /nfs/dbraw/zinc/94/21/43/731942143.db2.gz DKVFPUNAPDLPLW-AAEUAGOBSA-N 1 1 348.403 0.520 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C[C@@H](OC)C(F)(F)F)CC1 ZINC001098524121 732004888 /nfs/dbraw/zinc/00/48/88/732004888.db2.gz CUBUMVKGVZDVOV-CYBMUJFWSA-N 1 1 336.354 0.872 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(=O)N1CCC1 ZINC001087357358 738579772 /nfs/dbraw/zinc/57/97/72/738579772.db2.gz PEVGPXUDQTURMF-MHORFTMASA-N 1 1 341.455 0.801 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CC(=O)N2CCC2)C1 ZINC001087357360 738579898 /nfs/dbraw/zinc/57/98/98/738579898.db2.gz PEVGPXUDQTURMF-XSLAGTTESA-N 1 1 341.455 0.801 20 30 ECEDMO CC1(C)C[N@@H+](CCn2cncn2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973048588 738581425 /nfs/dbraw/zinc/58/14/25/738581425.db2.gz TWMFPCSMYODGGL-AWEZNQCLSA-N 1 1 327.392 0.618 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@]2(C)CCN(C(C)=O)C2)CC1 ZINC001098526482 732526401 /nfs/dbraw/zinc/52/64/01/732526401.db2.gz JXAWUONQQVRPIV-GOSISDBHSA-N 1 1 337.464 0.716 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC000969957093 732561732 /nfs/dbraw/zinc/56/17/32/732561732.db2.gz HCYODBVZUFJOFL-XQLPTFJDSA-N 1 1 337.464 0.617 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC000970025919 732641515 /nfs/dbraw/zinc/64/15/15/732641515.db2.gz ANVIEWQXDKVJKQ-MLGOLLRUSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2cc(CC)nn2C)[C@@H](n2ccnn2)C1 ZINC001069984668 790278648 /nfs/dbraw/zinc/27/86/48/790278648.db2.gz COJYTQDFMNBFDV-CVEARBPZSA-N 1 1 343.435 0.344 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2cc(CC)nn2C)[C@@H](n2ccnn2)C1 ZINC001069984668 790278650 /nfs/dbraw/zinc/27/86/50/790278650.db2.gz COJYTQDFMNBFDV-CVEARBPZSA-N 1 1 343.435 0.344 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC001041821350 782271893 /nfs/dbraw/zinc/27/18/93/782271893.db2.gz DYQBARPNXWJHJQ-GOSISDBHSA-N 1 1 332.448 0.725 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cncn3C)C2)C1=O ZINC000970077820 732727031 /nfs/dbraw/zinc/72/70/31/732727031.db2.gz XHTOVGSNFAORPH-JSGCOSHPSA-N 1 1 331.420 0.257 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(-n4cnnn4)c3)C2)C1 ZINC001041822636 782273509 /nfs/dbraw/zinc/27/35/09/782273509.db2.gz RVNYHGSSEQDUAU-SFHVURJKSA-N 1 1 336.399 0.834 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001041829614 782291776 /nfs/dbraw/zinc/29/17/76/782291776.db2.gz ZMXQBGXSKOFHOU-QGZVFWFLSA-N 1 1 332.404 0.600 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)C1 ZINC001041834463 782305324 /nfs/dbraw/zinc/30/53/24/782305324.db2.gz DCSRRWFFCNIKHL-PKOBYXMFSA-N 1 1 333.476 0.902 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)C1 ZINC001041834463 782305333 /nfs/dbraw/zinc/30/53/33/782305333.db2.gz DCSRRWFFCNIKHL-PKOBYXMFSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@](C)(NC(C)=O)C2CC2)CC1 ZINC001098530554 733020672 /nfs/dbraw/zinc/02/06/72/733020672.db2.gz BYKVBQIPVJHUTE-IBGZPJMESA-N 1 1 349.475 0.600 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC001041839388 782316943 /nfs/dbraw/zinc/31/69/43/782316943.db2.gz NAYNUJUXVYBOJO-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO N#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001112481943 733181645 /nfs/dbraw/zinc/18/16/45/733181645.db2.gz ZEEJRGKZUXDPTG-DXFLCJIMSA-N 1 1 344.459 0.591 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)nn1 ZINC000970205408 733198514 /nfs/dbraw/zinc/19/85/14/733198514.db2.gz JIVCGEKAULTJFQ-GFCCVEGCSA-N 1 1 348.386 0.029 20 30 ECEDMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970289622 733314327 /nfs/dbraw/zinc/31/43/27/733314327.db2.gz KCDBCDOVYFUCNZ-SECBINFHSA-N 1 1 331.405 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000973096068 738712245 /nfs/dbraw/zinc/71/22/45/738712245.db2.gz AFNJJJLUQAKXBN-YDHLFZDLSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000973096068 738712249 /nfs/dbraw/zinc/71/22/49/738712249.db2.gz AFNJJJLUQAKXBN-YDHLFZDLSA-N 1 1 329.404 0.193 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCCNC3=O)C2)c1 ZINC000970399523 733470776 /nfs/dbraw/zinc/47/07/76/733470776.db2.gz QNSLEEJQDJXUGV-BLLLJJGKSA-N 1 1 326.400 0.392 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC001078129917 782347659 /nfs/dbraw/zinc/34/76/59/782347659.db2.gz FZHFAEHTZSXFMZ-HUUCEWRRSA-N 1 1 330.384 0.185 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)C[C@@H](C)O)CC2)nc1 ZINC001098536931 733520615 /nfs/dbraw/zinc/52/06/15/733520615.db2.gz TXMAJFBPZCPLCJ-CQSZACIVSA-N 1 1 331.416 0.343 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC000970437266 733532762 /nfs/dbraw/zinc/53/27/62/733532762.db2.gz QRGBOKREDIHQPN-NHYWBVRUSA-N 1 1 345.447 0.864 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)cc1F ZINC000970445935 733543277 /nfs/dbraw/zinc/54/32/77/733543277.db2.gz QATCWVWEASRDEZ-CYBMUJFWSA-N 1 1 328.351 0.749 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccn(CC)n3)C2)C1=O ZINC000970530634 733649467 /nfs/dbraw/zinc/64/94/67/733649467.db2.gz BYBKPJFPIHNLJL-BBRMVZONSA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCCNC3=O)C2)nn1 ZINC000970552723 733668673 /nfs/dbraw/zinc/66/86/73/733668673.db2.gz PKTJOLYUXSMJAA-DOMZBBRYSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC000970554483 733671085 /nfs/dbraw/zinc/67/10/85/733671085.db2.gz KOMFZMJQIDWKBJ-GXTWGEPZSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)C(=O)NC)C2)nn1 ZINC000970563101 733677609 /nfs/dbraw/zinc/67/76/09/733677609.db2.gz PYPIEBYXISVSAQ-NEPJUHHUSA-N 1 1 334.424 0.039 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1 ZINC001098538841 733718071 /nfs/dbraw/zinc/71/80/71/733718071.db2.gz ZXWXGDRAOSNZRZ-QGZVFWFLSA-N 1 1 337.464 0.456 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3nccs3)C2)C1=O ZINC000970632634 733762601 /nfs/dbraw/zinc/76/26/01/733762601.db2.gz VTOXZCQWYUYJRA-DGCLKSJQSA-N 1 1 334.445 0.980 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970758803 733918498 /nfs/dbraw/zinc/91/84/98/733918498.db2.gz ADCQUSWRPPNTBC-IUODEOHRSA-N 1 1 342.399 0.032 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3ccn(C)n3)C2)CC1 ZINC000970792142 733943000 /nfs/dbraw/zinc/94/30/00/733943000.db2.gz FZUKVXWORKFJIV-QGZVFWFLSA-N 1 1 329.448 0.456 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC000970819474 733983051 /nfs/dbraw/zinc/98/30/51/733983051.db2.gz BUVACIQBIWTXDT-SWLSCSKDSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCC[NH2+]Cc1nc(CC(=O)NC)no1 ZINC001167365868 734019253 /nfs/dbraw/zinc/01/92/53/734019253.db2.gz LAAVWXAKROOARQ-UHFFFAOYSA-N 1 1 337.424 0.556 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1 ZINC001111488286 734111945 /nfs/dbraw/zinc/11/19/45/734111945.db2.gz FMPMDXMTMSWCNF-JJXSEGSLSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1 ZINC001111488286 734111946 /nfs/dbraw/zinc/11/19/46/734111946.db2.gz FMPMDXMTMSWCNF-JJXSEGSLSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3nonc3C)C2)C1=O ZINC000970976590 734139526 /nfs/dbraw/zinc/13/95/26/734139526.db2.gz VJMWFGMURRQRCY-GWCFXTLKSA-N 1 1 333.392 0.215 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104318075 734276472 /nfs/dbraw/zinc/27/64/72/734276472.db2.gz AHOZSQZANHSFFQ-OAHLLOKOSA-N 1 1 340.387 0.480 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](CCC)NC(N)=O)CC1 ZINC001098548669 734336713 /nfs/dbraw/zinc/33/67/13/734336713.db2.gz WUVIYCZXHBGJMU-OAHLLOKOSA-N 1 1 338.452 0.132 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2ccc(C#N)c(C)n2)CCO1 ZINC001104328894 734347395 /nfs/dbraw/zinc/34/73/95/734347395.db2.gz QHIQCWBTYKDEMF-INIZCTEOSA-N 1 1 345.447 0.925 20 30 ECEDMO COc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CC(N)=O)C2)cc1C#N ZINC000971239751 734382307 /nfs/dbraw/zinc/38/23/07/734382307.db2.gz RUAVMIVXINBARH-AWEZNQCLSA-N 1 1 330.388 0.475 20 30 ECEDMO CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000971289473 734422844 /nfs/dbraw/zinc/42/28/44/734422844.db2.gz SOZSVPXNELGLAA-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnn(CCOC)c2)CC1 ZINC001098550361 734449996 /nfs/dbraw/zinc/44/99/96/734449996.db2.gz JYPGLPLZLUZTGV-UHFFFAOYSA-N 1 1 334.420 0.062 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001098550415 734450992 /nfs/dbraw/zinc/45/09/92/734450992.db2.gz MSEDUPDJQUFBBB-UHFFFAOYSA-N 1 1 332.448 0.661 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971373100 734484082 /nfs/dbraw/zinc/48/40/82/734484082.db2.gz AJJNHWZRNPUEST-HNNXBMFYSA-N 1 1 340.387 0.588 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 ZINC001104349569 734521780 /nfs/dbraw/zinc/52/17/80/734521780.db2.gz ILCNBDPLSVHVII-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1)C1CCC1 ZINC001104353446 734601445 /nfs/dbraw/zinc/60/14/45/734601445.db2.gz WYURRKLUGBIMES-HNNXBMFYSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078174550 782427962 /nfs/dbraw/zinc/42/79/62/782427962.db2.gz PCOQBYJYAALIRE-KBRIMQKVSA-N 1 1 346.406 0.310 20 30 ECEDMO C[N@@H+](CC1CCS(=O)(=O)CC1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510004 734699544 /nfs/dbraw/zinc/69/95/44/734699544.db2.gz ZIKHRZQCSUGGIG-INIZCTEOSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4n[nH]c(=O)n4c3)[C@H]2C1 ZINC001083221950 734826769 /nfs/dbraw/zinc/82/67/69/734826769.db2.gz ZQLGWOOVCQEDEQ-QWHCGFSZSA-N 1 1 329.360 0.146 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4n[nH]c(=O)n4c3)[C@H]2C1 ZINC001083221950 734826771 /nfs/dbraw/zinc/82/67/71/734826771.db2.gz ZQLGWOOVCQEDEQ-QWHCGFSZSA-N 1 1 329.360 0.146 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CS(=O)(=O)C1 ZINC001025231009 738853053 /nfs/dbraw/zinc/85/30/53/738853053.db2.gz FAYRQPNIYRCUCE-CVEARBPZSA-N 1 1 338.473 0.900 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3c[nH]cn3)C2)C1=O ZINC000971651207 734879424 /nfs/dbraw/zinc/87/94/24/734879424.db2.gz HHEHISSTFADXFD-HOTGVXAUSA-N 1 1 345.447 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H](C)CCC)C1 ZINC001041932060 782452506 /nfs/dbraw/zinc/45/25/06/782452506.db2.gz CNMAPGXFRNGQTC-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H](C)CCC)C1 ZINC001041932060 782452513 /nfs/dbraw/zinc/45/25/13/782452513.db2.gz CNMAPGXFRNGQTC-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001078187091 782456641 /nfs/dbraw/zinc/45/66/41/782456641.db2.gz UARHHUVMIFOOBE-HUUCEWRRSA-N 1 1 328.372 0.686 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001078187091 782456646 /nfs/dbraw/zinc/45/66/46/782456646.db2.gz UARHHUVMIFOOBE-HUUCEWRRSA-N 1 1 328.372 0.686 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cnns2)C1 ZINC000971704031 734965420 /nfs/dbraw/zinc/96/54/20/734965420.db2.gz PXHFLSKLEQYMPX-ZFWWWQNUSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cnns2)C1 ZINC000971704031 734965422 /nfs/dbraw/zinc/96/54/22/734965422.db2.gz PXHFLSKLEQYMPX-ZFWWWQNUSA-N 1 1 333.461 0.668 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973188741 738877293 /nfs/dbraw/zinc/87/72/93/738877293.db2.gz FRYQLGXWTHHSMX-BPGGGUHBSA-N 1 1 329.404 0.461 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC000973186314 738888792 /nfs/dbraw/zinc/88/87/92/738888792.db2.gz YBQNCPILHSEKLD-DZKIICNBSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC000973186314 738888796 /nfs/dbraw/zinc/88/87/96/738888796.db2.gz YBQNCPILHSEKLD-DZKIICNBSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ncc[nH]3)[C@@H]2C1 ZINC000972048221 735562939 /nfs/dbraw/zinc/56/29/39/735562939.db2.gz LMBPOEVFIZFPIC-QLFBSQMISA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ncc[nH]3)[C@@H]2C1 ZINC000972048221 735562940 /nfs/dbraw/zinc/56/29/40/735562940.db2.gz LMBPOEVFIZFPIC-QLFBSQMISA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC001167535332 735577500 /nfs/dbraw/zinc/57/75/00/735577500.db2.gz OMZQPXBBXZBNTQ-CVEARBPZSA-N 1 1 330.432 0.442 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000972080691 735619234 /nfs/dbraw/zinc/61/92/34/735619234.db2.gz VKTDEANARGAJSW-CYBMUJFWSA-N 1 1 348.447 0.329 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972081170 735620289 /nfs/dbraw/zinc/62/02/89/735620289.db2.gz ZQTDLBKFVLFCEQ-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972081170 735620290 /nfs/dbraw/zinc/62/02/90/735620290.db2.gz ZQTDLBKFVLFCEQ-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCN2CCCS2(=O)=O)C1 ZINC000972081633 735622599 /nfs/dbraw/zinc/62/25/99/735622599.db2.gz HTLRXTDYUZHYKC-AWEZNQCLSA-N 1 1 343.493 0.767 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCN2CCCS2(=O)=O)C1 ZINC000972081633 735622601 /nfs/dbraw/zinc/62/26/01/735622601.db2.gz HTLRXTDYUZHYKC-AWEZNQCLSA-N 1 1 343.493 0.767 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCc1ccc(F)cc1 ZINC001114948511 735764900 /nfs/dbraw/zinc/76/49/00/735764900.db2.gz CQVSEYBBVRWJAY-ZSHCYNCHSA-N 1 1 329.375 0.512 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972215633 735797314 /nfs/dbraw/zinc/79/73/14/735797314.db2.gz ILGZKQYHRSFEKT-OAHLLOKOSA-N 1 1 326.400 0.856 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001078210055 782498291 /nfs/dbraw/zinc/49/82/91/782498291.db2.gz TWPYSIIDEIQREP-JFIYKMOQSA-N 1 1 328.412 0.792 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972225470 735811749 /nfs/dbraw/zinc/81/17/49/735811749.db2.gz ZTRGFAXYFMSXDV-CQSZACIVSA-N 1 1 344.390 0.996 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972225470 735811753 /nfs/dbraw/zinc/81/17/53/735811753.db2.gz ZTRGFAXYFMSXDV-CQSZACIVSA-N 1 1 344.390 0.996 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1 ZINC000972243797 735838257 /nfs/dbraw/zinc/83/82/57/735838257.db2.gz YEINDLUHWVZROY-DVOMOZLQSA-N 1 1 341.415 0.511 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2noc3c2COCC3)CC1 ZINC001098566815 735862115 /nfs/dbraw/zinc/86/21/15/735862115.db2.gz PQXIQEYSJGKMLI-UHFFFAOYSA-N 1 1 347.415 0.670 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)c1 ZINC000972283716 735886786 /nfs/dbraw/zinc/88/67/86/735886786.db2.gz CJDIOWOKJCOBJX-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCCN(C)C3=O)[C@H]2C1 ZINC001083246827 735971421 /nfs/dbraw/zinc/97/14/21/735971421.db2.gz MCAYWSACTPOJSJ-OWCLPIDISA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4[nH]cnc43)C2)C1 ZINC000972400617 736124679 /nfs/dbraw/zinc/12/46/79/736124679.db2.gz ZCKQBJRCZCMHSS-GOSISDBHSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4[nH]cnc43)C2)C1 ZINC000972400617 736124680 /nfs/dbraw/zinc/12/46/80/736124680.db2.gz ZCKQBJRCZCMHSS-GOSISDBHSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000972407250 736135501 /nfs/dbraw/zinc/13/55/01/736135501.db2.gz CZTWXNZQKFIDJA-MAUKXSAKSA-N 1 1 328.416 0.697 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972408892 736140255 /nfs/dbraw/zinc/14/02/55/736140255.db2.gz QDTXJRKQBFHWCH-KBXCAEBGSA-N 1 1 349.431 0.403 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972408892 736140258 /nfs/dbraw/zinc/14/02/58/736140258.db2.gz QDTXJRKQBFHWCH-KBXCAEBGSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972410890 736144873 /nfs/dbraw/zinc/14/48/73/736144873.db2.gz WMQDFVBIXVFPRN-KRWDZBQOSA-N 1 1 340.387 0.293 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972410890 736144877 /nfs/dbraw/zinc/14/48/77/736144877.db2.gz WMQDFVBIXVFPRN-KRWDZBQOSA-N 1 1 340.387 0.293 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972414175 736150968 /nfs/dbraw/zinc/15/09/68/736150968.db2.gz VAHRWDIJDGQAGA-KRWDZBQOSA-N 1 1 342.403 0.846 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)nc3CC)C2)C1 ZINC000972425587 736174999 /nfs/dbraw/zinc/17/49/99/736174999.db2.gz PADKEDFHSCDUOW-GOSISDBHSA-N 1 1 330.432 0.923 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)nc3CC)C2)C1 ZINC000972425587 736175002 /nfs/dbraw/zinc/17/50/02/736175002.db2.gz PADKEDFHSCDUOW-GOSISDBHSA-N 1 1 330.432 0.923 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+]([C@H](C)COC)C[C@@H]32)nc1 ZINC001083252208 736197294 /nfs/dbraw/zinc/19/72/94/736197294.db2.gz BWJAFNLOZCZFSO-XOKHGSTOSA-N 1 1 329.400 0.623 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3nccc3C)C2)C1=O ZINC000972444968 736214467 /nfs/dbraw/zinc/21/44/67/736214467.db2.gz HSEOIAIEBQEKIH-HZPDHXFCSA-N 1 1 345.447 0.511 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001041972595 782520533 /nfs/dbraw/zinc/52/05/33/782520533.db2.gz DVHFEJLEJUVXNS-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)C1 ZINC000972470777 736278261 /nfs/dbraw/zinc/27/82/61/736278261.db2.gz YIYXIRYWXLOGJO-GOSISDBHSA-N 1 1 329.400 0.656 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)C1 ZINC000972470777 736278265 /nfs/dbraw/zinc/27/82/65/736278265.db2.gz YIYXIRYWXLOGJO-GOSISDBHSA-N 1 1 329.400 0.656 20 30 ECEDMO C=CCN1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475514 736294041 /nfs/dbraw/zinc/29/40/41/736294041.db2.gz NXHPEKRPWBGDMN-DHRZBBNESA-N 1 1 347.459 0.339 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480204 736304940 /nfs/dbraw/zinc/30/49/40/736304940.db2.gz HXSUODHPXAILTH-WMZOPIPTSA-N 1 1 346.431 0.434 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480204 736304944 /nfs/dbraw/zinc/30/49/44/736304944.db2.gz HXSUODHPXAILTH-WMZOPIPTSA-N 1 1 346.431 0.434 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 ZINC001023001770 736382346 /nfs/dbraw/zinc/38/23/46/736382346.db2.gz ALZKVLMCWZQILZ-QLFBSQMISA-N 1 1 347.440 0.147 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 ZINC001023001770 736382351 /nfs/dbraw/zinc/38/23/51/736382351.db2.gz ALZKVLMCWZQILZ-QLFBSQMISA-N 1 1 347.440 0.147 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCCN(C)C3=O)C2)nn1 ZINC000972507591 736463314 /nfs/dbraw/zinc/46/33/14/736463314.db2.gz ZVBCWATXYSGCHH-DZGCQCFKSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nc[nH]c3=O)C2)C1 ZINC000972511910 736496162 /nfs/dbraw/zinc/49/61/62/736496162.db2.gz KRZPFBDCYROIHQ-KRWDZBQOSA-N 1 1 330.388 0.431 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523286 736563337 /nfs/dbraw/zinc/56/33/37/736563337.db2.gz HOJCLBBHXGEING-SFHVURJKSA-N 1 1 345.399 0.248 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523286 736563338 /nfs/dbraw/zinc/56/33/38/736563338.db2.gz HOJCLBBHXGEING-SFHVURJKSA-N 1 1 345.399 0.248 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972523253 736563381 /nfs/dbraw/zinc/56/33/81/736563381.db2.gz HIPCYRUUSPXRNL-QGZVFWFLSA-N 1 1 334.420 0.678 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972523253 736563383 /nfs/dbraw/zinc/56/33/83/736563383.db2.gz HIPCYRUUSPXRNL-QGZVFWFLSA-N 1 1 334.420 0.678 20 30 ECEDMO C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001039573562 736566455 /nfs/dbraw/zinc/56/64/55/736566455.db2.gz IWDCNZZSSVZTEO-MAUKXSAKSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523944 736568442 /nfs/dbraw/zinc/56/84/42/736568442.db2.gz MPFOILAGWAMLQC-SFHVURJKSA-N 1 1 347.415 0.800 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000972526966 736582375 /nfs/dbraw/zinc/58/23/75/736582375.db2.gz NSQSOLXZSGUWSK-NEPJUHHUSA-N 1 1 335.857 0.306 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000972526966 736582379 /nfs/dbraw/zinc/58/23/79/736582379.db2.gz NSQSOLXZSGUWSK-NEPJUHHUSA-N 1 1 335.857 0.306 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC000972529199 736595485 /nfs/dbraw/zinc/59/54/85/736595485.db2.gz GWSRCBYCOBWISS-VYDXJSESSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC000972529199 736595486 /nfs/dbraw/zinc/59/54/86/736595486.db2.gz GWSRCBYCOBWISS-VYDXJSESSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972546019 736663356 /nfs/dbraw/zinc/66/33/56/736663356.db2.gz MBDPIOLUHNKHGP-YJBOKZPZSA-N 1 1 335.448 0.925 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972546019 736663359 /nfs/dbraw/zinc/66/33/59/736663359.db2.gz MBDPIOLUHNKHGP-YJBOKZPZSA-N 1 1 335.448 0.925 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@H](C)O)CCO3)c1 ZINC000972547181 736667953 /nfs/dbraw/zinc/66/79/53/736667953.db2.gz WUYKFFOOXSOREB-KSSFIOAISA-N 1 1 329.400 0.361 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@H](C)O)CCO3)c1 ZINC000972547181 736667954 /nfs/dbraw/zinc/66/79/54/736667954.db2.gz WUYKFFOOXSOREB-KSSFIOAISA-N 1 1 329.400 0.361 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001023344317 736715647 /nfs/dbraw/zinc/71/56/47/736715647.db2.gz LVNUCDNCLSRVKM-CVEARBPZSA-N 1 1 342.399 0.995 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3ncn(C)n3)C2)C1=O ZINC001023354331 736730271 /nfs/dbraw/zinc/73/02/71/736730271.db2.gz GAPSTEKXDYGFIG-KBPBESRZSA-N 1 1 346.435 0.044 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972554559 736735319 /nfs/dbraw/zinc/73/53/19/736735319.db2.gz QERJIWVAZNFYBU-KRWDZBQOSA-N 1 1 332.404 0.607 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023365901 736739820 /nfs/dbraw/zinc/73/98/20/736739820.db2.gz LJBOFDMTDOPMDH-CABCVRRESA-N 1 1 343.431 0.614 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001023410036 736790122 /nfs/dbraw/zinc/79/01/22/736790122.db2.gz MJKNRWGRLZSSJV-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001023410036 736790123 /nfs/dbraw/zinc/79/01/23/736790123.db2.gz MJKNRWGRLZSSJV-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC001023424475 736813419 /nfs/dbraw/zinc/81/34/19/736813419.db2.gz ZNIWRSJGHVVUPK-WMZOPIPTSA-N 1 1 343.475 0.846 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001023465510 736871837 /nfs/dbraw/zinc/87/18/37/736871837.db2.gz UPIJTKZEKFGMEP-GFCCVEGCSA-N 1 1 341.433 0.945 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 ZINC001098577203 736881228 /nfs/dbraw/zinc/88/12/28/736881228.db2.gz FVUYHNITKBDQHH-UHFFFAOYSA-N 1 1 346.431 0.656 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CC(C)(C)O)C1 ZINC001059847222 751380321 /nfs/dbraw/zinc/38/03/21/751380321.db2.gz NUBGEMOMXUORMP-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CC(C)(C)O)C1 ZINC001059847222 751380328 /nfs/dbraw/zinc/38/03/28/751380328.db2.gz NUBGEMOMXUORMP-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001023510507 736941088 /nfs/dbraw/zinc/94/10/88/736941088.db2.gz MCOQYUSWOGLZNM-AWEZNQCLSA-N 1 1 339.403 0.522 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001023565157 737012008 /nfs/dbraw/zinc/01/20/08/737012008.db2.gz ZFTDMWAMTCQAFU-QWRGUYRKSA-N 1 1 345.241 0.405 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001023565157 737012011 /nfs/dbraw/zinc/01/20/11/737012011.db2.gz ZFTDMWAMTCQAFU-QWRGUYRKSA-N 1 1 345.241 0.405 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000972594044 737023689 /nfs/dbraw/zinc/02/36/89/737023689.db2.gz PKYWISXEOVPSDM-YJBOKZPZSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001023627489 737109510 /nfs/dbraw/zinc/10/95/10/737109510.db2.gz KAXSUHXTVPYLER-GJZGRUSLSA-N 1 1 326.462 0.663 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)nn1 ZINC001023637047 737123369 /nfs/dbraw/zinc/12/33/69/737123369.db2.gz BPBHBGSQEYFBSV-GJZGRUSLSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001023637987 737125149 /nfs/dbraw/zinc/12/51/49/737125149.db2.gz WEPDDQWAJRZBDZ-CHWSQXEVSA-N 1 1 334.424 0.040 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001023637976 737125347 /nfs/dbraw/zinc/12/53/47/737125347.db2.gz VQAMKCVSGZTJGV-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001023644707 737133394 /nfs/dbraw/zinc/13/33/94/737133394.db2.gz QVIRHXZZJWOSTG-GJZGRUSLSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)C2)C1 ZINC000972628056 737149468 /nfs/dbraw/zinc/14/94/68/737149468.db2.gz MUTMWILXXKEZCN-DNVCBOLYSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)C2)C1 ZINC000972628056 737149472 /nfs/dbraw/zinc/14/94/72/737149472.db2.gz MUTMWILXXKEZCN-DNVCBOLYSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 ZINC000972628056 737149478 /nfs/dbraw/zinc/14/94/78/737149478.db2.gz MUTMWILXXKEZCN-DNVCBOLYSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 ZINC000972628056 737149483 /nfs/dbraw/zinc/14/94/83/737149483.db2.gz MUTMWILXXKEZCN-DNVCBOLYSA-N 1 1 342.443 0.841 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972629657 737161541 /nfs/dbraw/zinc/16/15/41/737161541.db2.gz CGCLYPHIPFQJOI-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cnn(CC)c3)C2)C1 ZINC000972631365 737168279 /nfs/dbraw/zinc/16/82/79/737168279.db2.gz LGEZPRRBRIAGEJ-GOSISDBHSA-N 1 1 330.432 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cnn(CC)c3)C2)C1 ZINC000972631365 737168283 /nfs/dbraw/zinc/16/82/83/737168283.db2.gz LGEZPRRBRIAGEJ-GOSISDBHSA-N 1 1 330.432 0.772 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(N(C)C)nn3)C2)C1 ZINC000972639854 737200131 /nfs/dbraw/zinc/20/01/31/737200131.db2.gz BZWLRZUEUYJYMQ-GOSISDBHSA-N 1 1 343.431 0.483 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(N(C)C)nn3)C2)C1 ZINC000972639854 737200133 /nfs/dbraw/zinc/20/01/33/737200133.db2.gz BZWLRZUEUYJYMQ-GOSISDBHSA-N 1 1 343.431 0.483 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCOC)CCO3)nc1 ZINC000972639318 737202246 /nfs/dbraw/zinc/20/22/46/737202246.db2.gz RQBKNHBUOLERKX-SFHVURJKSA-N 1 1 329.400 0.626 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCOC)CCO3)nc1 ZINC000972639318 737202252 /nfs/dbraw/zinc/20/22/52/737202252.db2.gz RQBKNHBUOLERKX-SFHVURJKSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001023707277 737224928 /nfs/dbraw/zinc/22/49/28/737224928.db2.gz NZAAEOPSURCRIF-AWEZNQCLSA-N 1 1 328.416 0.906 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC000972645886 737244403 /nfs/dbraw/zinc/24/44/03/737244403.db2.gz AJMIGACIEGCHQX-GOSISDBHSA-N 1 1 346.431 0.431 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972652749 737258997 /nfs/dbraw/zinc/25/89/97/737258997.db2.gz BDMUORTUMOQRGC-HXUWFJFHSA-N 1 1 342.439 0.896 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972652749 737259001 /nfs/dbraw/zinc/25/90/01/737259001.db2.gz BDMUORTUMOQRGC-HXUWFJFHSA-N 1 1 342.439 0.896 20 30 ECEDMO C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001114959426 737280149 /nfs/dbraw/zinc/28/01/49/737280149.db2.gz CJCYVCYOUGVFNI-NHAGDIPZSA-N 1 1 343.387 0.298 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067463831 737321041 /nfs/dbraw/zinc/32/10/41/737321041.db2.gz PDBGCWCQQOTNDF-CABCVRRESA-N 1 1 325.453 0.836 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001023763687 737325838 /nfs/dbraw/zinc/32/58/38/737325838.db2.gz XPLBKWBIEZNZJF-AWEZNQCLSA-N 1 1 348.451 0.384 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972674768 737346086 /nfs/dbraw/zinc/34/60/86/737346086.db2.gz SGPHRLZSOULBCQ-KRWDZBQOSA-N 1 1 332.404 0.607 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](CCCC)NC(N)=O)CC1 ZINC001098582355 737363180 /nfs/dbraw/zinc/36/31/80/737363180.db2.gz RBXICRBKQUKWMG-HNNXBMFYSA-N 1 1 340.468 0.685 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689451 737387534 /nfs/dbraw/zinc/38/75/34/737387534.db2.gz YKCSKZTZFIYOOM-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689451 737387537 /nfs/dbraw/zinc/38/75/37/737387537.db2.gz YKCSKZTZFIYOOM-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 ZINC000972691295 737393828 /nfs/dbraw/zinc/39/38/28/737393828.db2.gz ACWNZAQJLDFVFR-AEFFLSMTSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC000972695798 737407429 /nfs/dbraw/zinc/40/74/29/737407429.db2.gz UTDODJRFBVGMPT-KRWDZBQOSA-N 1 1 334.420 0.217 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001023872277 737452388 /nfs/dbraw/zinc/45/23/88/737452388.db2.gz BUEIDCJJRFFUTK-HUUCEWRRSA-N 1 1 345.447 0.947 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC000972700354 737453727 /nfs/dbraw/zinc/45/37/27/737453727.db2.gz WBGOPJOULUQQLE-WMLDXEAASA-N 1 1 336.436 0.409 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC000972700354 737453730 /nfs/dbraw/zinc/45/37/30/737453730.db2.gz WBGOPJOULUQQLE-WMLDXEAASA-N 1 1 336.436 0.409 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069993751 790288131 /nfs/dbraw/zinc/28/81/31/790288131.db2.gz MDEKNDMEIMUABS-CVEARBPZSA-N 1 1 341.419 0.632 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069993751 790288135 /nfs/dbraw/zinc/28/81/35/790288135.db2.gz MDEKNDMEIMUABS-CVEARBPZSA-N 1 1 341.419 0.632 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001023979222 737576135 /nfs/dbraw/zinc/57/61/35/737576135.db2.gz UKRCQMXZZWMBCJ-GBJTYRQASA-N 1 1 337.464 0.617 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001069993948 790289086 /nfs/dbraw/zinc/28/90/86/790289086.db2.gz WVCVRCNDLIJZOV-KFWWJZLASA-N 1 1 346.435 0.207 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccnn3C)C(C)(C)C2)C1=O ZINC000972854719 737776217 /nfs/dbraw/zinc/77/62/17/737776217.db2.gz DGTIMKQYCPJSNT-LSDHHAIUSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccnn3C)C(C)(C)C2)C1=O ZINC000972854719 737776223 /nfs/dbraw/zinc/77/62/23/737776223.db2.gz DGTIMKQYCPJSNT-LSDHHAIUSA-N 1 1 345.447 0.647 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[NH2+]Cc2ncnn2-c2ccccc2)[nH]1 ZINC001125784146 737795798 /nfs/dbraw/zinc/79/57/98/737795798.db2.gz WZOOSWBPXIDTLQ-UHFFFAOYSA-N 1 1 335.371 0.987 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001024278032 737878236 /nfs/dbraw/zinc/87/82/36/737878236.db2.gz ZVLWWBJBBDUGNQ-RDJZCZTQSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(N)=O)cc3)[C@H]2C1 ZINC001083266039 737895709 /nfs/dbraw/zinc/89/57/09/737895709.db2.gz DEWIXSOKHTTYKG-JKSUJKDBSA-N 1 1 342.399 0.726 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CCn2cncn2)c[nH]1 ZINC001024399124 737940385 /nfs/dbraw/zinc/94/03/85/737940385.db2.gz DMDUOXUTFQIVMK-OAHLLOKOSA-N 1 1 327.392 0.762 20 30 ECEDMO C=CCOCC[N@H+](CCO)C1CCN(C(=O)c2[nH]cnc2C)CC1 ZINC001098586348 737995146 /nfs/dbraw/zinc/99/51/46/737995146.db2.gz DGYFGFZZZVXZHJ-UHFFFAOYSA-N 1 1 336.436 0.820 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001024501162 738030131 /nfs/dbraw/zinc/03/01/31/738030131.db2.gz FKHUPKBUIQJXCY-IXDOHACOSA-N 1 1 349.475 0.905 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cncn2C)C1=O ZINC001024536922 738076246 /nfs/dbraw/zinc/07/62/46/738076246.db2.gz WTTZRXCNIRUUMV-HUUCEWRRSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cncn2C)C1=O ZINC001024536922 738076249 /nfs/dbraw/zinc/07/62/49/738076249.db2.gz WTTZRXCNIRUUMV-HUUCEWRRSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCOCC3=O)C(C)(C)[C@H]21 ZINC001087289851 738127187 /nfs/dbraw/zinc/12/71/87/738127187.db2.gz SUKUOVNGPXXGJH-COXVUDFISA-N 1 1 335.448 0.636 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(CCO)CCNc1snc(C)c1C#N ZINC001111492696 738139905 /nfs/dbraw/zinc/13/99/05/738139905.db2.gz LWARREXKMQKWKN-UHFFFAOYSA-N 1 1 339.465 0.898 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001024685907 738219080 /nfs/dbraw/zinc/21/90/80/738219080.db2.gz QIOVUCYAPQNVLR-CYBMUJFWSA-N 1 1 334.420 0.244 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1nc(C)n(C)c1=O ZINC001087316372 738271829 /nfs/dbraw/zinc/27/18/29/738271829.db2.gz QPTZSFBQONAAHB-VNQPRFMTSA-N 1 1 345.447 0.129 20 30 ECEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001024758980 738274533 /nfs/dbraw/zinc/27/45/33/738274533.db2.gz COSNHARTCRCTML-GFCCVEGCSA-N 1 1 330.392 0.578 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cn(C)c(=O)n1C ZINC001087319853 738293253 /nfs/dbraw/zinc/29/32/53/738293253.db2.gz VMRLIXPESYWGJW-VNQPRFMTSA-N 1 1 344.459 0.966 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083272427 738305249 /nfs/dbraw/zinc/30/52/49/738305249.db2.gz NAYHBSIIGZHIMV-JKSUJKDBSA-N 1 1 329.400 0.887 20 30 ECEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001024813369 738317714 /nfs/dbraw/zinc/31/77/14/738317714.db2.gz APTKHEFNGZRRSG-CYBMUJFWSA-N 1 1 334.424 0.137 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3nc4ncccn4n3)[C@H]2C1 ZINC001083273782 738381634 /nfs/dbraw/zinc/38/16/34/738381634.db2.gz IAJRFTJOFGOBQM-UONOGXRCSA-N 1 1 342.403 0.155 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3nc4ncccn4n3)[C@H]2C1 ZINC001083273782 738381637 /nfs/dbraw/zinc/38/16/37/738381637.db2.gz IAJRFTJOFGOBQM-UONOGXRCSA-N 1 1 342.403 0.155 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1ncn(C)c1=O ZINC001025251010 738934234 /nfs/dbraw/zinc/93/42/34/738934234.db2.gz GSTYEYNUOVYXST-HZPDHXFCSA-N 1 1 345.447 0.451 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025276384 738996851 /nfs/dbraw/zinc/99/68/51/738996851.db2.gz JDATYSNFROBFTR-LSDHHAIUSA-N 1 1 348.447 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001025290062 739011056 /nfs/dbraw/zinc/01/10/56/739011056.db2.gz XOEQLCGJMHEURG-CABCVRRESA-N 1 1 346.431 0.359 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025298626 739019405 /nfs/dbraw/zinc/01/94/05/739019405.db2.gz YNDBXGIHJGVPDD-KGLIPLIRSA-N 1 1 332.404 0.017 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000973290258 739040657 /nfs/dbraw/zinc/04/06/57/739040657.db2.gz PXTPDBRFUKUARY-BPUTZDHNSA-N 1 1 326.400 0.392 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104579729 739041223 /nfs/dbraw/zinc/04/12/23/739041223.db2.gz QEAIBOJHRGSJBU-GXTWGEPZSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104579729 739041226 /nfs/dbraw/zinc/04/12/26/739041226.db2.gz QEAIBOJHRGSJBU-GXTWGEPZSA-N 1 1 332.408 0.328 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)c2ccccn2)C1 ZINC001111999515 739080366 /nfs/dbraw/zinc/08/03/66/739080366.db2.gz MVISICJMCSLLGM-KXBFYZLASA-N 1 1 340.427 0.805 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001083279687 739102092 /nfs/dbraw/zinc/10/20/92/739102092.db2.gz KXCCBFREKJVAGK-UONOGXRCSA-N 1 1 331.420 0.333 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001083279687 739102093 /nfs/dbraw/zinc/10/20/93/739102093.db2.gz KXCCBFREKJVAGK-UONOGXRCSA-N 1 1 331.420 0.333 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC000973410809 739224232 /nfs/dbraw/zinc/22/42/32/739224232.db2.gz QTUVQFKZTFHWSU-IUVQAAGXSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC000973410809 739224237 /nfs/dbraw/zinc/22/42/37/739224237.db2.gz QTUVQFKZTFHWSU-IUVQAAGXSA-N 1 1 347.459 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000973434688 739269480 /nfs/dbraw/zinc/26/94/80/739269480.db2.gz SSJYDHRWCNECEO-BRWVUGGUSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000973485092 739379012 /nfs/dbraw/zinc/37/90/12/739379012.db2.gz IIYSSXMIFSEFKH-JQFCIGGWSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)OCC=C)C1 ZINC001112017941 739467205 /nfs/dbraw/zinc/46/72/05/739467205.db2.gz VZOXEYLBFDKYEX-VKJFTORMSA-N 1 1 335.448 0.850 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)OCC=C)C1 ZINC001112017941 739467209 /nfs/dbraw/zinc/46/72/09/739467209.db2.gz VZOXEYLBFDKYEX-VKJFTORMSA-N 1 1 335.448 0.850 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC23CCN(c2cnc(C#N)cn2)CC3)C1 ZINC001058636644 739548683 /nfs/dbraw/zinc/54/86/83/739548683.db2.gz OLWTVYVRQVBOSZ-HIFRSBDPSA-N 1 1 340.431 0.775 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3CN(C[C@H](C)OC)C[C@@H]32)CC1 ZINC001083283704 739745078 /nfs/dbraw/zinc/74/50/78/739745078.db2.gz OTIYXURVJTVOPU-RYQLBKOJSA-N 1 1 349.475 0.278 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025616623 739779776 /nfs/dbraw/zinc/77/97/76/739779776.db2.gz BJCOEKLUZYQCAN-CHWSQXEVSA-N 1 1 334.420 0.892 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC000982023563 751487451 /nfs/dbraw/zinc/48/74/51/751487451.db2.gz MEXQPFCEQVUSSW-OAGGEKHMSA-N 1 1 347.459 0.733 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4C[C@@]45CCOC5)C[C@H]32)c1 ZINC001025723488 739896767 /nfs/dbraw/zinc/89/67/67/739896767.db2.gz LSQANSKSLGOPEE-JQONLHTASA-N 1 1 326.400 0.973 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC2)C[C@H]1C(F)(F)F ZINC001112032631 739940135 /nfs/dbraw/zinc/94/01/35/739940135.db2.gz TZGCCLZOHFDFOV-YUSALJHKSA-N 1 1 331.338 0.513 20 30 ECEDMO C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001058661125 739950458 /nfs/dbraw/zinc/95/04/58/739950458.db2.gz PJNVKXBWTWFLJJ-ZBFHGGJFSA-N 1 1 346.431 0.386 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CC2)C[C@H]1C(F)(F)F ZINC001112033670 739967096 /nfs/dbraw/zinc/96/70/96/739967096.db2.gz UOYMTYFLAPHFBD-VXGBXAGGSA-N 1 1 331.338 0.515 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3nnc(C)o3)C[C@H]21 ZINC001025814027 739996339 /nfs/dbraw/zinc/99/63/39/739996339.db2.gz DNLPYLDJJGXJRU-HVQZGBDUSA-N 1 1 343.431 0.583 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3nnc(C)o3)C[C@H]21 ZINC001025814027 739996341 /nfs/dbraw/zinc/99/63/41/739996341.db2.gz DNLPYLDJJGXJRU-HVQZGBDUSA-N 1 1 343.431 0.583 20 30 ECEDMO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008147 790310553 /nfs/dbraw/zinc/31/05/53/790310553.db2.gz SOTMOJORLZPLRN-NXOAAHMSSA-N 1 1 346.479 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2ccon2)C1 ZINC000988086047 751514919 /nfs/dbraw/zinc/51/49/19/751514919.db2.gz GIZGETAUAFGBSG-HOCLYGCPSA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2ccon2)C1 ZINC000988086047 751514923 /nfs/dbraw/zinc/51/49/23/751514923.db2.gz GIZGETAUAFGBSG-HOCLYGCPSA-N 1 1 344.415 0.693 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2cn(CC3CC3)nn2)CC1 ZINC001098516138 751515033 /nfs/dbraw/zinc/51/50/33/751515033.db2.gz QAFCRDRWBZOHTM-UHFFFAOYSA-N 1 1 333.436 0.773 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001068463427 790318402 /nfs/dbraw/zinc/31/84/02/790318402.db2.gz GCDZKYYDBWEEPL-HZPDHXFCSA-N 1 1 347.459 0.283 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)cn3)[C@H]2C1 ZINC001083289845 740358630 /nfs/dbraw/zinc/35/86/30/740358630.db2.gz RCCPMUTVZNGXGH-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4C[C@]45CCOC5)C[C@H]32)nn1 ZINC001026094171 740370276 /nfs/dbraw/zinc/37/02/76/740370276.db2.gz IZSHGFYEDHLONP-BHUQQCALSA-N 1 1 343.431 0.551 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2nccnc2C#N)C1 ZINC001104794676 740515785 /nfs/dbraw/zinc/51/57/85/740515785.db2.gz KUUMXPJPQVPHCL-HIFRSBDPSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2nccnc2C#N)C1 ZINC001104794676 740515786 /nfs/dbraw/zinc/51/57/86/740515786.db2.gz KUUMXPJPQVPHCL-HIFRSBDPSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104794972 740518942 /nfs/dbraw/zinc/51/89/42/740518942.db2.gz OUJATVDBLQCDGN-HIFRSBDPSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104794972 740518947 /nfs/dbraw/zinc/51/89/47/740518947.db2.gz OUJATVDBLQCDGN-HIFRSBDPSA-N 1 1 346.435 0.716 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]23)n1 ZINC001026229116 740533456 /nfs/dbraw/zinc/53/34/56/740533456.db2.gz HGNAFLQEIAFSNN-JHJVBQTASA-N 1 1 340.391 0.050 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C2)C1 ZINC000982070037 751560323 /nfs/dbraw/zinc/56/03/23/751560323.db2.gz JKNYEXYCOARPCA-UHFFFAOYSA-N 1 1 339.399 0.502 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001112055827 740679269 /nfs/dbraw/zinc/67/92/69/740679269.db2.gz VJMPLZONWCVTJX-OAHLLOKOSA-N 1 1 346.435 0.272 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001112055827 740679272 /nfs/dbraw/zinc/67/92/72/740679272.db2.gz VJMPLZONWCVTJX-OAHLLOKOSA-N 1 1 346.435 0.272 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)c4nc[nH]n4)C3)C2)C1=O ZINC000982075327 751568084 /nfs/dbraw/zinc/56/80/84/751568084.db2.gz DCDHIPYUZAOAFH-CYBMUJFWSA-N 1 1 344.419 0.130 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC000974002086 740751919 /nfs/dbraw/zinc/75/19/19/740751919.db2.gz FLCDWWQIUWFXLY-LZWOXQAQSA-N 1 1 328.416 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC000974002086 740751921 /nfs/dbraw/zinc/75/19/21/740751921.db2.gz FLCDWWQIUWFXLY-LZWOXQAQSA-N 1 1 328.416 0.798 20 30 ECEDMO C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104867495 740758031 /nfs/dbraw/zinc/75/80/31/740758031.db2.gz CFVKJWLTSCIVLT-XJKCOSOUSA-N 1 1 331.420 0.931 20 30 ECEDMO C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104867495 740758033 /nfs/dbraw/zinc/75/80/33/740758033.db2.gz CFVKJWLTSCIVLT-XJKCOSOUSA-N 1 1 331.420 0.931 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cncs2)C1 ZINC001111782360 740854082 /nfs/dbraw/zinc/85/40/82/740854082.db2.gz FQKTVUIOJIUFPZ-LRDDRELGSA-N 1 1 347.444 0.296 20 30 ECEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cncs2)C1 ZINC001111782360 740854086 /nfs/dbraw/zinc/85/40/86/740854086.db2.gz FQKTVUIOJIUFPZ-LRDDRELGSA-N 1 1 347.444 0.296 20 30 ECEDMO CC(C)C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104926290 740955181 /nfs/dbraw/zinc/95/51/81/740955181.db2.gz OABUQGYCJYCSLT-HIFRSBDPSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104926290 740955185 /nfs/dbraw/zinc/95/51/85/740955185.db2.gz OABUQGYCJYCSLT-HIFRSBDPSA-N 1 1 346.435 0.622 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000974148095 741007623 /nfs/dbraw/zinc/00/76/23/741007623.db2.gz PLFDODJDVMPBJT-CWRNSKLLSA-N 1 1 326.400 0.392 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cccnn2)C1=O ZINC001028216697 751598796 /nfs/dbraw/zinc/59/87/96/751598796.db2.gz JVESOLVZXBUCIY-UKRRQHHQSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cccnn2)C1=O ZINC001028216697 751598798 /nfs/dbraw/zinc/59/87/98/751598798.db2.gz JVESOLVZXBUCIY-UKRRQHHQSA-N 1 1 329.404 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC000974158901 741029073 /nfs/dbraw/zinc/02/90/73/741029073.db2.gz FQEOINIUDRRNEB-NXOAAHMSSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC000974158901 741029078 /nfs/dbraw/zinc/02/90/78/741029078.db2.gz FQEOINIUDRRNEB-NXOAAHMSSA-N 1 1 347.459 0.664 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC000982107915 751601024 /nfs/dbraw/zinc/60/10/24/751601024.db2.gz XCONPFKYEHVGOP-AWEZNQCLSA-N 1 1 331.420 0.964 20 30 ECEDMO N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001059857119 751606732 /nfs/dbraw/zinc/60/67/32/751606732.db2.gz NKNIEVHUAFYGLT-NEBZKDRISA-N 1 1 342.403 0.271 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC000974344597 741358911 /nfs/dbraw/zinc/35/89/11/741358911.db2.gz DCCKTWYBZIZVQQ-DMRZNYOFSA-N 1 1 340.427 0.638 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)n3cccn3)C2)nn1 ZINC001098618446 741389053 /nfs/dbraw/zinc/38/90/53/741389053.db2.gz BECPMMAKPFXYNL-DZGCQCFKSA-N 1 1 329.408 0.785 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001020455720 751640204 /nfs/dbraw/zinc/64/02/04/751640204.db2.gz DBELPXXCJXEEAN-NPJQDHAYSA-N 1 1 335.448 0.777 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCn3ccnn3)C2)nn1 ZINC001105221840 741497038 /nfs/dbraw/zinc/49/70/38/741497038.db2.gz YIAFEWUIAVAQCK-UHFFFAOYSA-N 1 1 330.396 0.009 20 30 ECEDMO CC(C)C#CC(=O)N1CC(n2cc(C[NH2+]CCn3cccn3)nn2)C1 ZINC001105233218 741519662 /nfs/dbraw/zinc/51/96/62/741519662.db2.gz NWNPNSYVZNDCJH-UHFFFAOYSA-N 1 1 341.419 0.307 20 30 ECEDMO C#CCOCCC(=O)N1CC(n2cc(C[NH2+]CC=C(C)C)nn2)C1 ZINC001105240653 741534686 /nfs/dbraw/zinc/53/46/86/741534686.db2.gz WMYDKNMOHCKUJE-UHFFFAOYSA-N 1 1 331.420 0.757 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243777 741542935 /nfs/dbraw/zinc/54/29/35/741542935.db2.gz ISECDSBZNNLXPV-CZUORRHYSA-N 1 1 330.436 0.115 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105256581 741571228 /nfs/dbraw/zinc/57/12/28/741571228.db2.gz JUUXIAKRVLFFGW-HNNXBMFYSA-N 1 1 331.424 0.149 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnc4n3CCC4)C2)nn1 ZINC001105262222 741588613 /nfs/dbraw/zinc/58/86/13/741588613.db2.gz PEKBHHMAWAJGNJ-UHFFFAOYSA-N 1 1 341.419 0.784 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105264371 741595394 /nfs/dbraw/zinc/59/53/94/741595394.db2.gz GWVAWJQNRUJLPK-INIZCTEOSA-N 1 1 334.468 0.913 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cn[nH]c(=O)c3)C2)nn1 ZINC001105264829 741603198 /nfs/dbraw/zinc/60/31/98/741603198.db2.gz QPCNIWPXPMQSSK-UHFFFAOYSA-N 1 1 329.364 0.137 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)nn1 ZINC001105268425 741610847 /nfs/dbraw/zinc/61/08/47/741610847.db2.gz NKDPBSVODSOOPC-DOTOQJQBSA-N 1 1 342.447 0.401 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)nn1 ZINC001105272581 741617926 /nfs/dbraw/zinc/61/79/26/741617926.db2.gz NEGCRCBWKQAMOP-UHFFFAOYSA-N 1 1 332.452 0.505 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C(C)(C)[N@H+](C)CC)C2)nn1 ZINC001105272581 741617927 /nfs/dbraw/zinc/61/79/27/741617927.db2.gz NEGCRCBWKQAMOP-UHFFFAOYSA-N 1 1 332.452 0.505 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3snnc3CC)C2)nn1 ZINC001105278419 741633687 /nfs/dbraw/zinc/63/36/87/741633687.db2.gz BUOKMIWKAKHURK-UHFFFAOYSA-N 1 1 333.421 0.665 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(=O)[nH]c3)C2)nn1 ZINC001105283212 741641195 /nfs/dbraw/zinc/64/11/95/741641195.db2.gz GQVSMYAXTSOOSB-UHFFFAOYSA-N 1 1 328.376 0.280 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)c3ccc4c[nH+]cn4c3)C2)nn1 ZINC001105283064 741642680 /nfs/dbraw/zinc/64/26/80/741642680.db2.gz CPAKSTVLDKPHLO-UHFFFAOYSA-N 1 1 349.398 0.736 20 30 ECEDMO CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1ccnc(C#N)n1 ZINC001105288444 741648960 /nfs/dbraw/zinc/64/89/60/741648960.db2.gz MPRSYTSDXCXAGX-UONOGXRCSA-N 1 1 330.436 0.665 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C)CN3CCOCC3)C2)C1 ZINC000982150608 751656331 /nfs/dbraw/zinc/65/63/31/751656331.db2.gz MBCKVODQOYRFJL-QGZVFWFLSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)CN3CCOCC3)C2)C1 ZINC000982150608 751656335 /nfs/dbraw/zinc/65/63/35/751656335.db2.gz MBCKVODQOYRFJL-QGZVFWFLSA-N 1 1 333.476 0.902 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC001026695887 741680791 /nfs/dbraw/zinc/68/07/91/741680791.db2.gz VJACFAOFHZELSD-HIFRSBDPSA-N 1 1 345.447 0.811 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058728640 741693863 /nfs/dbraw/zinc/69/38/63/741693863.db2.gz ZQQSRKNRBWKPEE-YJBOKZPZSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001058730764 741757159 /nfs/dbraw/zinc/75/71/59/741757159.db2.gz HVDYTUTWBJTJBY-KRWDZBQOSA-N 1 1 336.436 0.731 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974542217 741874999 /nfs/dbraw/zinc/87/49/99/741874999.db2.gz XFXROVSCLAHDOP-CABCVRRESA-N 1 1 342.399 0.993 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974542217 741875005 /nfs/dbraw/zinc/87/50/05/741875005.db2.gz XFXROVSCLAHDOP-CABCVRRESA-N 1 1 342.399 0.993 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974534887 741878563 /nfs/dbraw/zinc/87/85/63/741878563.db2.gz BWANPFHWKFTBGZ-LSDHHAIUSA-N 1 1 342.399 0.993 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cnco3)[C@@H]2C1 ZINC000974623207 741948312 /nfs/dbraw/zinc/94/83/12/741948312.db2.gz SEFVNRIYBVNUOH-QLFBSQMISA-N 1 1 342.399 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cnco3)[C@@H]2C1 ZINC000974623207 741948314 /nfs/dbraw/zinc/94/83/14/741948314.db2.gz SEFVNRIYBVNUOH-QLFBSQMISA-N 1 1 342.399 0.445 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974742180 742140617 /nfs/dbraw/zinc/14/06/17/742140617.db2.gz MPBHDFGHAHUGFQ-QWHCGFSZSA-N 1 1 331.420 0.396 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C(C)(C)C1 ZINC000974791737 742181750 /nfs/dbraw/zinc/18/17/50/742181750.db2.gz QNTXPGAYAOEBGW-OAHLLOKOSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C(C)(C)C1 ZINC000974791737 742181752 /nfs/dbraw/zinc/18/17/52/742181752.db2.gz QNTXPGAYAOEBGW-OAHLLOKOSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000974800003 742203110 /nfs/dbraw/zinc/20/31/10/742203110.db2.gz UALHWWXUUVLERB-KGLIPLIRSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000974800003 742203113 /nfs/dbraw/zinc/20/31/13/742203113.db2.gz UALHWWXUUVLERB-KGLIPLIRSA-N 1 1 326.462 0.661 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C(C)(C)C1 ZINC000974889191 742308479 /nfs/dbraw/zinc/30/84/79/742308479.db2.gz DHMDHAVOERITPW-CQSZACIVSA-N 1 1 343.431 0.899 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc3c2nnn3C)C(C)(C)C1 ZINC000974987913 742436567 /nfs/dbraw/zinc/43/65/67/742436567.db2.gz UHMGHEAGXRLXDX-CYBMUJFWSA-N 1 1 326.404 0.827 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+](CC(=O)N(C)C)CC2(C)C)c1 ZINC000975012570 742446161 /nfs/dbraw/zinc/44/61/61/742446161.db2.gz QUMWBZFZBPSGFZ-HNNXBMFYSA-N 1 1 328.416 0.591 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+](CC(=O)N(C)C)CC2(C)C)c1 ZINC000975012570 742446165 /nfs/dbraw/zinc/44/61/65/742446165.db2.gz QUMWBZFZBPSGFZ-HNNXBMFYSA-N 1 1 328.416 0.591 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1 ZINC000975027952 742460637 /nfs/dbraw/zinc/46/06/37/742460637.db2.gz CWBFRXKVSYDGBQ-ARFHVFGLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C(C)(C)C1 ZINC000975027952 742460642 /nfs/dbraw/zinc/46/06/42/742460642.db2.gz CWBFRXKVSYDGBQ-ARFHVFGLSA-N 1 1 347.459 0.616 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@H]32)C1 ZINC000975064913 742470340 /nfs/dbraw/zinc/47/03/40/742470340.db2.gz KMCOFULWKRDYAX-BZUAXINKSA-N 1 1 347.459 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@H]32)C1 ZINC000975064913 742470343 /nfs/dbraw/zinc/47/03/43/742470343.db2.gz KMCOFULWKRDYAX-BZUAXINKSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000975361179 742752379 /nfs/dbraw/zinc/75/23/79/742752379.db2.gz KZXDWRPIYXQAAV-ULQDDVLXSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000975361179 742752380 /nfs/dbraw/zinc/75/23/80/742752380.db2.gz KZXDWRPIYXQAAV-ULQDDVLXSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000975362879 742754022 /nfs/dbraw/zinc/75/40/22/742754022.db2.gz ULPWHPRQALNXFJ-CABCVRRESA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000975362879 742754025 /nfs/dbraw/zinc/75/40/25/742754025.db2.gz ULPWHPRQALNXFJ-CABCVRRESA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C(F)F)C1 ZINC000975364511 742755761 /nfs/dbraw/zinc/75/57/61/742755761.db2.gz YOSWGJHZFBLFJI-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C(F)F)C1 ZINC000975364511 742755766 /nfs/dbraw/zinc/75/57/66/742755766.db2.gz YOSWGJHZFBLFJI-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001058926954 751767293 /nfs/dbraw/zinc/76/72/93/751767293.db2.gz UNSVGTJCGLHAEK-INIZCTEOSA-N 1 1 343.431 0.997 20 30 ECEDMO N#Cc1ccc(N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)nn1 ZINC001058926760 751769202 /nfs/dbraw/zinc/76/92/02/751769202.db2.gz JMUYSDIZQDAKSK-AWEZNQCLSA-N 1 1 330.392 0.083 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028936185 742912553 /nfs/dbraw/zinc/91/25/53/742912553.db2.gz RALGZUMJQAOPQS-BBRMVZONSA-N 1 1 326.400 0.775 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001028936549 742919778 /nfs/dbraw/zinc/91/97/78/742919778.db2.gz ZZJMFGKUSVITQK-OAHLLOKOSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CC(C)(C)O)[C@@H]3C2)C1=O ZINC001075743159 742957479 /nfs/dbraw/zinc/95/74/79/742957479.db2.gz GLUQZCRHUAPKQC-RRFJBIMHSA-N 1 1 335.448 0.467 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1 ZINC000982257381 751779498 /nfs/dbraw/zinc/77/94/98/751779498.db2.gz KDAAAOMKXVJSAP-LQAWEQHXSA-N 1 1 329.404 0.544 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1 ZINC000982258599 751785377 /nfs/dbraw/zinc/78/53/77/751785377.db2.gz LBRQEBUCILVBIR-PJSAGSTRSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997049036 743169058 /nfs/dbraw/zinc/16/90/58/743169058.db2.gz JFIJLNFBCANSJR-FHBSJOOWSA-N 1 1 333.432 0.389 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C=C)C[C@H]1C(F)(F)F ZINC001112143082 743187527 /nfs/dbraw/zinc/18/75/27/743187527.db2.gz HVJNURLVYOXFDI-VXGBXAGGSA-N 1 1 345.365 0.927 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)nc1 ZINC000997093893 743226696 /nfs/dbraw/zinc/22/66/96/743226696.db2.gz RZASGXZVCOTFJB-INIZCTEOSA-N 1 1 349.394 0.778 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3ccnn3C)C2)CC1 ZINC001027234128 743246175 /nfs/dbraw/zinc/24/61/75/743246175.db2.gz PPZNBBHLYIDDFX-MRXNPFEDSA-N 1 1 343.475 0.703 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000997250655 743408194 /nfs/dbraw/zinc/40/81/94/743408194.db2.gz UJHBSECOVIURNU-UHFFFAOYSA-N 1 1 336.395 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)on1 ZINC000976134176 743595021 /nfs/dbraw/zinc/59/50/21/743595021.db2.gz IQXCPKZNVYJMHU-LQKXBSAESA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)on1 ZINC000976134176 743595024 /nfs/dbraw/zinc/59/50/24/743595024.db2.gz IQXCPKZNVYJMHU-LQKXBSAESA-N 1 1 342.399 0.267 20 30 ECEDMO CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000997671169 743743124 /nfs/dbraw/zinc/74/31/24/743743124.db2.gz KXDJUCACNBQRTM-ZFWWWQNUSA-N 1 1 326.462 0.661 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)cn1 ZINC000976265092 743762331 /nfs/dbraw/zinc/76/23/31/743762331.db2.gz ANTIICUXDRPIHM-VVLHAWIVSA-N 1 1 338.411 0.344 20 30 ECEDMO Cn1nnc(C[NH2+]CC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC000997704117 743762491 /nfs/dbraw/zinc/76/24/91/743762491.db2.gz QOLWIEIEJHECST-UHFFFAOYSA-N 1 1 328.380 0.052 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(=O)NC)C[C@]2(C)C1 ZINC000982282302 751857555 /nfs/dbraw/zinc/85/75/55/751857555.db2.gz WJRUNCOWTZMHLL-OHQAAIJDSA-N 1 1 349.475 0.884 20 30 ECEDMO C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC000982283088 751862425 /nfs/dbraw/zinc/86/24/25/751862425.db2.gz MRYGQSHRNNYEDC-ATLSCFEFSA-N 1 1 332.448 0.544 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)c3[nH]nnc3C)CC2)C1=O ZINC000997958544 743905171 /nfs/dbraw/zinc/90/51/71/743905171.db2.gz IONFEDSYNQRINK-CQSZACIVSA-N 1 1 346.435 0.342 20 30 ECEDMO C[N@@H+]([C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@H]1CCC(=O)NC1=O ZINC001027355390 743921769 /nfs/dbraw/zinc/92/17/69/743921769.db2.gz VGGWVHYIDQUFOL-JSGCOSHPSA-N 1 1 343.387 0.228 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(C[NH2+]Cc3cnsn3)CC2)nn1 ZINC000998144309 744003082 /nfs/dbraw/zinc/00/30/82/744003082.db2.gz YTVOBXFWQUFMCP-UHFFFAOYSA-N 1 1 347.448 0.958 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000998197163 744044923 /nfs/dbraw/zinc/04/49/23/744044923.db2.gz PFNRGJDFQYNKJB-CYBMUJFWSA-N 1 1 334.420 0.989 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC)C1 ZINC001058771311 744070733 /nfs/dbraw/zinc/07/07/33/744070733.db2.gz ZKBBAHTUJUQKAA-UHFFFAOYSA-N 1 1 325.453 0.622 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000976598095 744123157 /nfs/dbraw/zinc/12/31/57/744123157.db2.gz RGUCQAKAHITAKR-XDKXFUCDSA-N 1 1 347.459 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncccc2F)C1 ZINC000998370765 744135245 /nfs/dbraw/zinc/13/52/45/744135245.db2.gz JQFDVKKRQIWASC-AWEZNQCLSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncccc2F)C1 ZINC000998370765 744135249 /nfs/dbraw/zinc/13/52/49/744135249.db2.gz JQFDVKKRQIWASC-AWEZNQCLSA-N 1 1 330.363 0.259 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000976676256 744187714 /nfs/dbraw/zinc/18/77/14/744187714.db2.gz SVKTVGDKDYTYEJ-FSZRXZPDSA-N 1 1 338.411 0.747 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412684 744240456 /nfs/dbraw/zinc/24/04/56/744240456.db2.gz UZPWABZZGBIHHU-INIZCTEOSA-N 1 1 339.403 0.668 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412684 744240459 /nfs/dbraw/zinc/24/04/59/744240459.db2.gz UZPWABZZGBIHHU-INIZCTEOSA-N 1 1 339.403 0.668 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000998579822 744241481 /nfs/dbraw/zinc/24/14/81/744241481.db2.gz ZIQXBFVCPFWHDE-NRXISQOPSA-N 1 1 331.420 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](CC)OC)C[C@H]21 ZINC000976737952 744258397 /nfs/dbraw/zinc/25/83/97/744258397.db2.gz AABUFFBEQLLSQO-XFIYOXNOSA-N 1 1 333.432 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](CC)OC)C[C@H]21 ZINC000976737952 744258401 /nfs/dbraw/zinc/25/84/01/744258401.db2.gz AABUFFBEQLLSQO-XFIYOXNOSA-N 1 1 333.432 0.082 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(CF)CCC3)C[C@H]21 ZINC000976735799 744260684 /nfs/dbraw/zinc/26/06/84/744260684.db2.gz LXLLOAWCEVTQMM-XUWVNRHRSA-N 1 1 347.434 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(CF)CCC3)C[C@H]21 ZINC000976735799 744260688 /nfs/dbraw/zinc/26/06/88/744260688.db2.gz LXLLOAWCEVTQMM-XUWVNRHRSA-N 1 1 347.434 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CCOC3)C[C@H]21 ZINC000976738195 744263985 /nfs/dbraw/zinc/26/39/85/744263985.db2.gz CWNHIXVCRONTOW-RNGZQALNSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CCOC3)C[C@H]21 ZINC000976738195 744263990 /nfs/dbraw/zinc/26/39/90/744263990.db2.gz CWNHIXVCRONTOW-RNGZQALNSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3ccco3)C[C@H]21 ZINC000976739678 744266029 /nfs/dbraw/zinc/26/60/29/744266029.db2.gz IYLWDCCYZMJXSJ-UIBIWLFHSA-N 1 1 341.411 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3ccco3)C[C@H]21 ZINC000976739678 744266031 /nfs/dbraw/zinc/26/60/31/744266031.db2.gz IYLWDCCYZMJXSJ-UIBIWLFHSA-N 1 1 341.411 0.493 20 30 ECEDMO C[C@@H]([NH2+]C1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C ZINC000998645799 744266079 /nfs/dbraw/zinc/26/60/79/744266079.db2.gz MPJMRQAEQWYACS-OIKLOGQESA-N 1 1 328.380 0.364 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCOCC3=O)C[C@@]2(C)C1 ZINC000982298032 751906440 /nfs/dbraw/zinc/90/64/40/751906440.db2.gz YIPIRCCJDNQFRT-HDICACEKSA-N 1 1 333.432 0.039 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998788043 744339844 /nfs/dbraw/zinc/33/98/44/744339844.db2.gz OLPZALFPESLQCC-PQAZSJQKSA-N 1 1 334.424 0.270 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000998847878 744370606 /nfs/dbraw/zinc/37/06/06/744370606.db2.gz DFJAZYYVSFZQHH-ZDUSSCGKSA-N 1 1 342.407 0.848 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nnc(CC)o2)C1 ZINC000998922605 744407122 /nfs/dbraw/zinc/40/71/22/744407122.db2.gz KPVDRGQCGCHGFP-NRXISQOPSA-N 1 1 345.447 0.809 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nnc(CC)o2)C1 ZINC000998922605 744407126 /nfs/dbraw/zinc/40/71/26/744407126.db2.gz KPVDRGQCGCHGFP-NRXISQOPSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC ZINC001028249695 751921611 /nfs/dbraw/zinc/92/16/11/751921611.db2.gz DFNQOJZNAWRWNZ-KGLIPLIRSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC ZINC001028249695 751921612 /nfs/dbraw/zinc/92/16/12/751921612.db2.gz DFNQOJZNAWRWNZ-KGLIPLIRSA-N 1 1 346.431 0.975 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCOCC2=O)C1 ZINC001027444575 744466266 /nfs/dbraw/zinc/46/62/66/744466266.db2.gz UIHXMOGPPWZYSM-ZDUSSCGKSA-N 1 1 329.828 0.521 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCOCC2=O)C1 ZINC001027444575 744466269 /nfs/dbraw/zinc/46/62/69/744466269.db2.gz UIHXMOGPPWZYSM-ZDUSSCGKSA-N 1 1 329.828 0.521 20 30 ECEDMO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001027463223 744615971 /nfs/dbraw/zinc/61/59/71/744615971.db2.gz UXJUSNRKGXIFDR-AWEZNQCLSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001027463223 744615973 /nfs/dbraw/zinc/61/59/73/744615973.db2.gz UXJUSNRKGXIFDR-AWEZNQCLSA-N 1 1 326.462 0.920 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]31)C2 ZINC000977204680 744762634 /nfs/dbraw/zinc/76/26/34/744762634.db2.gz OYMGDADLEAWTSD-DJJNUCPWSA-N 1 1 341.415 0.487 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000977200714 744778001 /nfs/dbraw/zinc/77/80/01/744778001.db2.gz UXUOZNNSSNVMCB-ZYIUAKIQSA-N 1 1 341.415 0.557 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000977224156 744804313 /nfs/dbraw/zinc/80/43/13/744804313.db2.gz BLAQGQVDUKOQDA-XBORSJSESA-N 1 1 333.432 0.102 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C[C@@]2(C)C1 ZINC000982320357 751952130 /nfs/dbraw/zinc/95/21/30/751952130.db2.gz RZYYEWDAQQYFDF-DOPJRALCSA-N 1 1 343.431 0.350 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC000999874557 744981011 /nfs/dbraw/zinc/98/10/11/744981011.db2.gz ZZOHIEBAHVZYGV-CHWSQXEVSA-N 1 1 332.408 0.094 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000999905182 745042919 /nfs/dbraw/zinc/04/29/19/745042919.db2.gz QWBPEXDLUSREKD-UKRRQHHQSA-N 1 1 330.432 0.812 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2ccnc3nc(C)nn32)C(C)(C)C1 ZINC000977468773 745056935 /nfs/dbraw/zinc/05/69/35/745056935.db2.gz OAFRDRYRYLMAII-AWEZNQCLSA-N 1 1 326.404 0.896 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 ZINC000999938414 745071954 /nfs/dbraw/zinc/07/19/54/745071954.db2.gz LSKPWGQYIJRJMS-AWEZNQCLSA-N 1 1 333.392 0.605 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnsn3)nn2)C1 ZINC000999958359 745098734 /nfs/dbraw/zinc/09/87/34/745098734.db2.gz ZFYRYAOAWWLENN-GFCCVEGCSA-N 1 1 331.405 0.330 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)nc3C)nn2)C1 ZINC000999960724 745102774 /nfs/dbraw/zinc/10/27/74/745102774.db2.gz FTOVCNQKMWEKFN-CQSZACIVSA-N 1 1 327.392 0.130 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ocnc1C ZINC000977499021 745102900 /nfs/dbraw/zinc/10/29/00/745102900.db2.gz FXZVENHKVANBQO-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ocnc1C ZINC000977499021 745102904 /nfs/dbraw/zinc/10/29/04/745102904.db2.gz FXZVENHKVANBQO-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC000999961959 745104712 /nfs/dbraw/zinc/10/47/12/745104712.db2.gz NWDCMTHZUCLSQK-AWEZNQCLSA-N 1 1 325.376 0.268 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3snnc3C)nn2)C1 ZINC000999969887 745116109 /nfs/dbraw/zinc/11/61/09/745116109.db2.gz ZLGLUNVKEIVNLP-CYBMUJFWSA-N 1 1 345.432 0.638 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CN(C)CCO3)nn2)C1 ZINC000999970264 745117753 /nfs/dbraw/zinc/11/77/53/745117753.db2.gz AYQDVJQEHNDEIR-HZPDHXFCSA-N 1 1 348.451 0.048 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(OC)no3)nn2)C1 ZINC000999975768 745124836 /nfs/dbraw/zinc/12/48/36/745124836.db2.gz QIXZAWJQEYLMBD-ZDUSSCGKSA-N 1 1 344.375 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3coc(CC)n3)nn2)C1 ZINC000999976291 745125584 /nfs/dbraw/zinc/12/55/84/745125584.db2.gz SZJKKGRPSMQKSD-ZDUSSCGKSA-N 1 1 328.376 0.639 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnnc(C)c3)nn2)C1 ZINC000999977971 745127125 /nfs/dbraw/zinc/12/71/25/745127125.db2.gz CSDRESROZNSDFB-MRXNPFEDSA-N 1 1 339.403 0.577 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncccc3O)nn2)C1 ZINC000999978882 745128320 /nfs/dbraw/zinc/12/83/20/745128320.db2.gz HNNKGPINNVYMJH-ZDUSSCGKSA-N 1 1 328.376 0.742 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnnc(C)c3)nn2)C1 ZINC000999980988 745132120 /nfs/dbraw/zinc/13/21/20/745132120.db2.gz PTZUZWLFPYUUJO-INIZCTEOSA-N 1 1 339.403 0.577 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)nnn3CC)nn2)C1 ZINC000999989101 745145344 /nfs/dbraw/zinc/14/53/44/745145344.db2.gz BZVISEHFYUJNDG-CQSZACIVSA-N 1 1 344.423 0.561 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc4cccn4cn3)nn2)C1 ZINC000999990496 745147291 /nfs/dbraw/zinc/14/72/91/745147291.db2.gz IUWZKXZXAHSPGD-INIZCTEOSA-N 1 1 349.398 0.736 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CC(OC)C3)nn2)C1 ZINC000999995829 745155436 /nfs/dbraw/zinc/15/54/36/745155436.db2.gz HZJDNTTUPCQKFP-SIWZUTFBSA-N 1 1 331.420 0.589 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nn2)C1 ZINC000999998998 745160258 /nfs/dbraw/zinc/16/02/58/745160258.db2.gz BEZSUQVULSVFHT-NEXGVSGLSA-N 1 1 341.415 0.198 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(OC)nc3)nn2)C1 ZINC001000001139 745163566 /nfs/dbraw/zinc/16/35/66/745163566.db2.gz BIIRFGQIZYWPTB-OAHLLOKOSA-N 1 1 340.387 0.492 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(Cl)n(C)n3)nn2)C1 ZINC001000002635 745166630 /nfs/dbraw/zinc/16/66/30/745166630.db2.gz KTZFCKXTYDGINZ-GFCCVEGCSA-N 1 1 347.810 0.475 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)nn2)C1 ZINC001000011436 745180054 /nfs/dbraw/zinc/18/00/54/745180054.db2.gz VRUXJZOHVSUEED-WCVJEAGWSA-N 1 1 331.420 0.610 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC(=O)N3C)nn2)C1 ZINC001000017110 745187316 /nfs/dbraw/zinc/18/73/16/745187316.db2.gz VOPOLINBQXXLOZ-GJZGRUSLSA-N 1 1 346.435 0.338 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3csc(=O)[nH]3)nn2)C1 ZINC001000018249 745188803 /nfs/dbraw/zinc/18/88/03/745188803.db2.gz XPJSZUKCOQKJSN-LBPRGKRZSA-N 1 1 346.416 0.640 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 ZINC001000019360 745189897 /nfs/dbraw/zinc/18/98/97/745189897.db2.gz CXHCPRCXHFJVME-GFCCVEGCSA-N 1 1 333.371 0.893 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]ncc3F)nn2)C1 ZINC001000019360 745189899 /nfs/dbraw/zinc/18/98/99/745189899.db2.gz CXHCPRCXHFJVME-GFCCVEGCSA-N 1 1 333.371 0.893 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]ncc3F)nn2)C1 ZINC001000019360 745189902 /nfs/dbraw/zinc/18/99/02/745189902.db2.gz CXHCPRCXHFJVME-GFCCVEGCSA-N 1 1 333.371 0.893 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[C@@H](C)O3)nn2)C1 ZINC001000026283 745198095 /nfs/dbraw/zinc/19/80/95/745198095.db2.gz USXSPPYYSOVEHH-FVQBIDKESA-N 1 1 331.420 0.732 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001000034794 745210415 /nfs/dbraw/zinc/21/04/15/745210415.db2.gz JAWQCIWLHFBHHA-AWEZNQCLSA-N 1 1 327.392 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(C)cc3=O)nn2)C1 ZINC001000036697 745213694 /nfs/dbraw/zinc/21/36/94/745213694.db2.gz OYFYUCAFQZBVHA-CQSZACIVSA-N 1 1 340.387 0.085 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)nn(C)c3F)nn2)C1 ZINC001000042645 745222172 /nfs/dbraw/zinc/22/21/72/745222172.db2.gz GBDNNWDFQJNCEI-CYBMUJFWSA-N 1 1 345.382 0.269 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3nc(C)no3)C2)nn1 ZINC001098697362 745224357 /nfs/dbraw/zinc/22/43/57/745224357.db2.gz FZCUKPPLUGFAHT-AWEZNQCLSA-N 1 1 345.407 0.651 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)C(C)(C)C1 ZINC000977581395 745238778 /nfs/dbraw/zinc/23/87/78/745238778.db2.gz WFCIWUYQZSFSLK-CYBMUJFWSA-N 1 1 326.404 0.517 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000977584728 745244528 /nfs/dbraw/zinc/24/45/28/745244528.db2.gz MQMDDHHZCCLODN-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000977609185 745264651 /nfs/dbraw/zinc/26/46/51/745264651.db2.gz XQHOJAXEQYGTIL-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C(C)(C)C1 ZINC000977629726 745286124 /nfs/dbraw/zinc/28/61/24/745286124.db2.gz OQGXUWLRNLJBPB-SJORKVTESA-N 1 1 333.476 0.947 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)c1 ZINC001000136227 745286235 /nfs/dbraw/zinc/28/62/35/745286235.db2.gz IMGDOXFDIICYNX-IUODEOHRSA-N 1 1 339.403 0.542 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnn(CC)n3)C2)nn1 ZINC001020700034 751989123 /nfs/dbraw/zinc/98/91/23/751989123.db2.gz FUHXSYYAHUEHMZ-HAQNSBGRSA-N 1 1 330.396 0.126 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059235058 745302878 /nfs/dbraw/zinc/30/28/78/745302878.db2.gz HTPPRGHPKWESLB-IHRRRGAJSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059235058 745302881 /nfs/dbraw/zinc/30/28/81/745302881.db2.gz HTPPRGHPKWESLB-IHRRRGAJSA-N 1 1 330.392 0.128 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(CC)s3)C2)nn1 ZINC001020700300 751990408 /nfs/dbraw/zinc/99/04/08/751990408.db2.gz MMNBTNXAYZYCPD-XYPYZODXSA-N 1 1 347.448 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ncc[nH]1 ZINC000977700163 745389511 /nfs/dbraw/zinc/38/95/11/745389511.db2.gz ULKMAMVYHSTXTD-KGLIPLIRSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ncc[nH]1 ZINC000977700163 745389515 /nfs/dbraw/zinc/38/95/15/745389515.db2.gz ULKMAMVYHSTXTD-KGLIPLIRSA-N 1 1 329.404 0.180 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001029242597 745424680 /nfs/dbraw/zinc/42/46/80/745424680.db2.gz FVAVJOHSJPYHPT-RWMBFGLXSA-N 1 1 347.419 0.152 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001029242597 745424682 /nfs/dbraw/zinc/42/46/82/745424682.db2.gz FVAVJOHSJPYHPT-RWMBFGLXSA-N 1 1 347.419 0.152 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(C2CCC2)C1=O ZINC001029244342 745427320 /nfs/dbraw/zinc/42/73/20/745427320.db2.gz DADLJBGJDKWAOI-OJLVUWQFSA-N 1 1 330.432 0.975 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)C3=COCCO3)CC2)C1=O ZINC001000397730 745475065 /nfs/dbraw/zinc/47/50/65/745475065.db2.gz KKSNNGBYUWGITK-OAHLLOKOSA-N 1 1 347.415 0.410 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)COc3c(C)nn(C)c3C)[C@@H]2C1 ZINC001075790666 745477952 /nfs/dbraw/zinc/47/79/52/745477952.db2.gz BOTQFZWIBOBOEA-JKSUJKDBSA-N 1 1 330.432 0.972 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001000403962 745478316 /nfs/dbraw/zinc/47/83/16/745478316.db2.gz LSPQFESRFNFAGN-DGCLKSJQSA-N 1 1 344.423 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNCc2noc(CC)n2)C1 ZINC000983907734 745490038 /nfs/dbraw/zinc/49/00/38/745490038.db2.gz ZSANHPNNJYTGLC-KKUMJFAQSA-N 1 1 345.447 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNCc2noc(CC)n2)C1 ZINC000983907734 745490041 /nfs/dbraw/zinc/49/00/41/745490041.db2.gz ZSANHPNNJYTGLC-KKUMJFAQSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CCOCC(=O)N1CCC([C@@H]2[N@@H+](CC(N)=O)CC23CCC3)CC1 ZINC001105389174 745527708 /nfs/dbraw/zinc/52/77/08/745527708.db2.gz JZLAQWQARQONRJ-KRWDZBQOSA-N 1 1 335.448 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H]3CCCNC3=O)C2)c1 ZINC001027568464 745594157 /nfs/dbraw/zinc/59/41/57/745594157.db2.gz IWJOPJORKKQSFV-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCCNC2=O)nc1 ZINC001028269849 752020638 /nfs/dbraw/zinc/02/06/38/752020638.db2.gz WVGLJZLXJNBSEA-ZBFHGGJFSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCCNC2=O)nc1 ZINC001028269849 752020645 /nfs/dbraw/zinc/02/06/45/752020645.db2.gz WVGLJZLXJNBSEA-ZBFHGGJFSA-N 1 1 326.400 0.536 20 30 ECEDMO CN(C(=O)C[N@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1)C1CC1 ZINC001000589366 745621071 /nfs/dbraw/zinc/62/10/71/745621071.db2.gz XTNJJDGNDPBQPC-UHFFFAOYSA-N 1 1 341.415 0.869 20 30 ECEDMO CN(C(=O)C[N@@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1)C1CC1 ZINC001000589366 745621076 /nfs/dbraw/zinc/62/10/76/745621076.db2.gz XTNJJDGNDPBQPC-UHFFFAOYSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000977917546 745644738 /nfs/dbraw/zinc/64/47/38/745644738.db2.gz HVNKZYFLAJWMBI-NRKLIOEPSA-N 1 1 345.443 0.036 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000977917546 745644739 /nfs/dbraw/zinc/64/47/39/745644739.db2.gz HVNKZYFLAJWMBI-NRKLIOEPSA-N 1 1 345.443 0.036 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(C)n1 ZINC000977931062 745687222 /nfs/dbraw/zinc/68/72/22/745687222.db2.gz SVHZFRURPOWSOD-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(C)n1 ZINC000977931062 745687227 /nfs/dbraw/zinc/68/72/27/745687227.db2.gz SVHZFRURPOWSOD-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1cncc(C#N)n1 ZINC001126524683 745742690 /nfs/dbraw/zinc/74/26/90/745742690.db2.gz XOYKICOFSRDWML-DZGCQCFKSA-N 1 1 346.435 0.115 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nc(C)no2)CC1 ZINC001000789796 745766313 /nfs/dbraw/zinc/76/63/13/745766313.db2.gz DMQIBGNJAIWQNT-INIZCTEOSA-N 1 1 343.431 0.724 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nc(C)no2)CC1 ZINC001000789796 745766317 /nfs/dbraw/zinc/76/63/17/745766317.db2.gz DMQIBGNJAIWQNT-INIZCTEOSA-N 1 1 343.431 0.724 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC000978027368 745827685 /nfs/dbraw/zinc/82/76/85/745827685.db2.gz CHPCAKPCULPJKM-AYDFFVQHSA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cnco1 ZINC000978066179 745849661 /nfs/dbraw/zinc/84/96/61/745849661.db2.gz KWEMYXHHXULVSM-KBPBESRZSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cnco1 ZINC000978066179 745849666 /nfs/dbraw/zinc/84/96/66/745849666.db2.gz KWEMYXHHXULVSM-KBPBESRZSA-N 1 1 330.388 0.445 20 30 ECEDMO C[C@H](c1nncn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978069720 745875348 /nfs/dbraw/zinc/87/53/48/745875348.db2.gz YYTGGSFDCBFNHW-QZKOUSHUSA-N 1 1 339.403 0.684 20 30 ECEDMO C[C@H](c1nncn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978069720 745875354 /nfs/dbraw/zinc/87/53/54/745875354.db2.gz YYTGGSFDCBFNHW-QZKOUSHUSA-N 1 1 339.403 0.684 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC000978130113 745971253 /nfs/dbraw/zinc/97/12/53/745971253.db2.gz MAXMKZJHIANPAK-MIGQKNRLSA-N 1 1 341.415 0.080 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCN(C)C2=O)nc1 ZINC001028272925 752050366 /nfs/dbraw/zinc/05/03/66/752050366.db2.gz XSIRTSMNIAWKBM-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCN(C)C2=O)nc1 ZINC001028272925 752050373 /nfs/dbraw/zinc/05/03/73/752050373.db2.gz XSIRTSMNIAWKBM-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2c(C)c(C)nn(C)c2=O)CC1 ZINC001001027380 745991374 /nfs/dbraw/zinc/99/13/74/745991374.db2.gz DPNXMXVASCYCFD-UHFFFAOYSA-N 1 1 328.416 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cncnc2C)C1 ZINC001001038190 746001583 /nfs/dbraw/zinc/00/15/83/746001583.db2.gz JBDHQOCXVWIQTE-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cncnc2C)C1 ZINC001001038190 746001589 /nfs/dbraw/zinc/00/15/89/746001589.db2.gz JBDHQOCXVWIQTE-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCCNC2=O)cn1 ZINC001028273834 752057509 /nfs/dbraw/zinc/05/75/09/752057509.db2.gz SCDIJAXMEFTPDS-HZPDHXFCSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCCNC2=O)cn1 ZINC001028273834 752057513 /nfs/dbraw/zinc/05/75/13/752057513.db2.gz SCDIJAXMEFTPDS-HZPDHXFCSA-N 1 1 326.400 0.536 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000984229922 746096083 /nfs/dbraw/zinc/09/60/83/746096083.db2.gz ZEZPWUILZDQINR-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(C)no2)[C@@H]1CC ZINC001087607047 746115301 /nfs/dbraw/zinc/11/53/01/746115301.db2.gz HZMQDTKBRIDUNZ-XHSDSOJGSA-N 1 1 345.447 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(C)no2)[C@@H]1CC ZINC001087607047 746115304 /nfs/dbraw/zinc/11/53/04/746115304.db2.gz HZMQDTKBRIDUNZ-XHSDSOJGSA-N 1 1 345.447 0.945 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3c3ncccn3)[C@@H]2C1 ZINC000978288127 746129817 /nfs/dbraw/zinc/12/98/17/746129817.db2.gz CNMACJOEWLLFRL-NXOAAHMSSA-N 1 1 339.443 0.763 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]21 ZINC000978280701 746143008 /nfs/dbraw/zinc/14/30/08/746143008.db2.gz ZJUKYHRVOVRHGQ-XQLPTFJDSA-N 1 1 330.432 0.846 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3sccn3c2=O)[C@H]1CC ZINC001087647530 746149002 /nfs/dbraw/zinc/14/90/02/746149002.db2.gz YDVKLJZNVQCPJH-QWHCGFSZSA-N 1 1 330.413 0.972 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@H]1CC ZINC001087648941 746149598 /nfs/dbraw/zinc/14/95/98/746149598.db2.gz LJGPDPPPUCXHKZ-JKSUJKDBSA-N 1 1 329.400 0.767 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001059350181 746163983 /nfs/dbraw/zinc/16/39/83/746163983.db2.gz QXSKPPSCOZBSMP-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001087423784 746186285 /nfs/dbraw/zinc/18/62/85/746186285.db2.gz SRJNVYXRMLYZSU-BRWVUGGUSA-N 1 1 325.412 0.873 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001087423784 746186290 /nfs/dbraw/zinc/18/62/90/746186290.db2.gz SRJNVYXRMLYZSU-BRWVUGGUSA-N 1 1 325.412 0.873 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C2)nn1 ZINC001027608101 746188380 /nfs/dbraw/zinc/18/83/80/746188380.db2.gz CVKLISCTKZJCHL-CHWSQXEVSA-N 1 1 334.424 0.264 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3cnon3)CC2)C1=O ZINC001001279267 746239243 /nfs/dbraw/zinc/23/92/43/746239243.db2.gz QLRPNFADVSGDNA-CQSZACIVSA-N 1 1 331.376 0.218 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc(OC)cc(OC)n3)[C@@H]2C1 ZINC000978368188 746249437 /nfs/dbraw/zinc/24/94/37/746249437.db2.gz MVCCIVRXYBEPRU-XYYAHUGASA-N 1 1 332.404 0.978 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4[nH]c(=O)[nH]c4c3)[C@@H]2C1 ZINC000978380589 746250517 /nfs/dbraw/zinc/25/05/17/746250517.db2.gz BCXBFCVDQMUPQY-XYYAHUGASA-N 1 1 325.372 0.594 20 30 ECEDMO CS(=O)(=O)CC[NH+]1CCC(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001001320470 746276668 /nfs/dbraw/zinc/27/66/68/746276668.db2.gz JXJCCQCCWOZATQ-UHFFFAOYSA-N 1 1 338.433 0.373 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC000978399858 746282650 /nfs/dbraw/zinc/28/26/50/746282650.db2.gz BNLVPPHYTPAXBH-XDQVBPFNSA-N 1 1 331.420 0.416 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001007084668 752076136 /nfs/dbraw/zinc/07/61/36/752076136.db2.gz INPYWHVBALGKOM-GJZGRUSLSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001007084668 752076143 /nfs/dbraw/zinc/07/61/43/752076143.db2.gz INPYWHVBALGKOM-GJZGRUSLSA-N 1 1 344.415 0.768 20 30 ECEDMO C[N@@H+](CC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1)C1CCC1 ZINC001001346840 746294995 /nfs/dbraw/zinc/29/49/95/746294995.db2.gz FTSVNZYAHLWLSD-UHFFFAOYSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+](CC(=O)N3CCC3)CC2)nc1 ZINC001001377997 746323796 /nfs/dbraw/zinc/32/37/96/746323796.db2.gz CJHHAFBOUXHUGV-UHFFFAOYSA-N 1 1 338.411 0.657 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](CC(=O)N3CCC3)CC2)nc1 ZINC001001377997 746323801 /nfs/dbraw/zinc/32/38/01/746323801.db2.gz CJHHAFBOUXHUGV-UHFFFAOYSA-N 1 1 338.411 0.657 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1=CC[N@@H+](C[C@H](C)O)CC1 ZINC001001378341 746323957 /nfs/dbraw/zinc/32/39/57/746323957.db2.gz GBBKUBOJZUBBBG-AWEZNQCLSA-N 1 1 329.400 0.836 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1 ZINC000978459833 746354072 /nfs/dbraw/zinc/35/40/72/746354072.db2.gz CXWJXXACMHWEAT-QKDCVEJESA-N 1 1 346.431 0.373 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001001419430 746358560 /nfs/dbraw/zinc/35/85/60/746358560.db2.gz UHBVPVQFBOTFBM-QGZVFWFLSA-N 1 1 335.448 0.948 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3CC3CCC3)[C@@H]2C1 ZINC000978527077 746406321 /nfs/dbraw/zinc/40/63/21/746406321.db2.gz PUHVVAJICGTTDQ-OKYOBFRVSA-N 1 1 345.487 0.805 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cncn3)[C@H]2CC)C1=O ZINC001087821076 746411234 /nfs/dbraw/zinc/41/12/34/746411234.db2.gz OGHABSGGBCECHN-ZNMIVQPWSA-N 1 1 346.435 0.034 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001481748 746420957 /nfs/dbraw/zinc/42/09/57/746420957.db2.gz DJVXPWLBQZPZRV-INIZCTEOSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1CC ZINC001087826391 746421250 /nfs/dbraw/zinc/42/12/50/746421250.db2.gz LQPOKERYYWFDHE-LSDHHAIUSA-N 1 1 343.493 0.262 20 30 ECEDMO Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083417913 746433946 /nfs/dbraw/zinc/43/39/46/746433946.db2.gz IYCGJEQZBYZYTK-KGLIPLIRSA-N 1 1 345.428 0.669 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)CC3CC3)C2)C1=O ZINC001087853896 746506687 /nfs/dbraw/zinc/50/66/87/746506687.db2.gz LHUOEBCWHVNWJS-SJORKVTESA-N 1 1 349.475 0.859 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4cnn(C)c4C3)[C@@H]2C1 ZINC000978634266 746508807 /nfs/dbraw/zinc/50/88/07/746508807.db2.gz YOIXVXWWXCZZGB-QSPRXWTASA-N 1 1 326.444 0.842 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978693911 746589518 /nfs/dbraw/zinc/58/95/18/746589518.db2.gz ADRBMLPRYSJCTC-IVMMDQJWSA-N 1 1 343.431 0.995 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087924920 746670495 /nfs/dbraw/zinc/67/04/95/746670495.db2.gz PCPQXKSCSDKFEY-BNOWGMLFSA-N 1 1 329.404 0.415 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CSCC#N ZINC001211886369 746714334 /nfs/dbraw/zinc/71/43/34/746714334.db2.gz IMDWBWULFQUVNT-RRFJBIMHSA-N 1 1 341.477 0.875 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CSCC#N ZINC001211886368 746719695 /nfs/dbraw/zinc/71/96/95/746719695.db2.gz IMDWBWULFQUVNT-RBSFLKMASA-N 1 1 341.477 0.875 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000978839197 746764743 /nfs/dbraw/zinc/76/47/43/746764743.db2.gz JSEVDCZGQJCDMF-INMHGKMJSA-N 1 1 340.427 0.639 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087970373 746769961 /nfs/dbraw/zinc/76/99/61/746769961.db2.gz TUJGLIOYGQDYKW-TWMKSMIVSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027683834 746793122 /nfs/dbraw/zinc/79/31/22/746793122.db2.gz QOSMPBMXXLPSPF-NEPJUHHUSA-N 1 1 335.857 0.353 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027683834 746793125 /nfs/dbraw/zinc/79/31/25/746793125.db2.gz QOSMPBMXXLPSPF-NEPJUHHUSA-N 1 1 335.857 0.353 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3scnc3COC)C2)nn1 ZINC001105340844 746795535 /nfs/dbraw/zinc/79/55/35/746795535.db2.gz SIKPJQPNWCWWHI-UHFFFAOYSA-N 1 1 348.432 0.854 20 30 ECEDMO C=CCN1CC[C@H](N(C)[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001027681704 746800219 /nfs/dbraw/zinc/80/02/19/746800219.db2.gz AWFOCZSSKYPBCW-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccns2)C1 ZINC000978891597 746838431 /nfs/dbraw/zinc/83/84/31/746838431.db2.gz QOQBZIIPKKTLJK-MJBXVCDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccns2)C1 ZINC000978891597 746838437 /nfs/dbraw/zinc/83/84/37/746838437.db2.gz QOQBZIIPKKTLJK-MJBXVCDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001027693900 746859436 /nfs/dbraw/zinc/85/94/36/746859436.db2.gz MTENUHSPAAHQBG-CYBMUJFWSA-N 1 1 334.424 0.089 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC001001979581 746860002 /nfs/dbraw/zinc/86/00/02/746860002.db2.gz UIFMZBYEZRKSHU-HNNXBMFYSA-N 1 1 326.400 0.203 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000978948236 746937784 /nfs/dbraw/zinc/93/77/84/746937784.db2.gz XKRSCNNBXXTITA-XYYAHUGASA-N 1 1 330.388 0.039 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3nonc3C)C2)C1=O ZINC001027705536 746953105 /nfs/dbraw/zinc/95/31/05/746953105.db2.gz QTZCNQYARIQQNJ-ZIAGYGMSSA-N 1 1 347.419 0.701 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c[nH]1 ZINC001007157056 752138306 /nfs/dbraw/zinc/13/83/06/752138306.db2.gz RFRRSLFXZYPXOU-HIFRSBDPSA-N 1 1 343.431 0.997 20 30 ECEDMO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)n1 ZINC001059446368 746982855 /nfs/dbraw/zinc/98/28/55/746982855.db2.gz SMNILOQCEPCLLH-JURCDPSOSA-N 1 1 342.403 0.271 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001002169886 747049547 /nfs/dbraw/zinc/04/95/47/747049547.db2.gz NEFCMWLVRXNPBD-DLBZAZTESA-N 1 1 329.444 0.991 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)nc1 ZINC000979022504 747051454 /nfs/dbraw/zinc/05/14/54/747051454.db2.gz WFPAOZQTAIVCDY-PNBKFKSVSA-N 1 1 338.411 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)nc1 ZINC000979022502 747051881 /nfs/dbraw/zinc/05/18/81/747051881.db2.gz WFPAOZQTAIVCDY-MPTYRVRUSA-N 1 1 338.411 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)nc1 ZINC000979024488 747053049 /nfs/dbraw/zinc/05/30/49/747053049.db2.gz ZHCYAPOZMLILAE-MIGQKNRLSA-N 1 1 340.427 0.447 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C[C@@H]2C1 ZINC001088019003 747073644 /nfs/dbraw/zinc/07/36/44/747073644.db2.gz SRIVSSGPESVPQI-ILXRZTDVSA-N 1 1 345.447 0.903 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3csnn3)C2)nn1 ZINC000984902622 747082810 /nfs/dbraw/zinc/08/28/10/747082810.db2.gz NXAWTANMEIZJJC-XYPYZODXSA-N 1 1 333.421 0.614 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC000979039701 747092003 /nfs/dbraw/zinc/09/20/03/747092003.db2.gz MCFYQTVBXRPEIS-BJJXKVORSA-N 1 1 346.406 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC000979039701 747092010 /nfs/dbraw/zinc/09/20/10/747092010.db2.gz MCFYQTVBXRPEIS-BJJXKVORSA-N 1 1 346.406 0.876 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc4c3CC(=O)N4)C[C@@H]2C1 ZINC001088026886 747097119 /nfs/dbraw/zinc/09/71/19/747097119.db2.gz IXZPMKZARPGLKS-KGLIPLIRSA-N 1 1 338.411 0.993 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC000984918806 747112390 /nfs/dbraw/zinc/11/23/90/747112390.db2.gz FGAOWEUVYZOXJP-ABHRYQDASA-N 1 1 334.424 0.176 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C[C@@H]2C1 ZINC001088050289 747146372 /nfs/dbraw/zinc/14/63/72/747146372.db2.gz ZVOMOAXDAZHMEI-ZACQAIPSSA-N 1 1 341.459 0.953 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3CC(F)(F)F)[C@@H]2C1 ZINC000979073949 747146965 /nfs/dbraw/zinc/14/69/65/747146965.db2.gz ASWCHAJTKAINJH-YIYPIFLZSA-N 1 1 329.366 0.940 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001002290337 747175637 /nfs/dbraw/zinc/17/56/37/747175637.db2.gz KDHZISNRUCWGRQ-YJBOKZPZSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001002290337 747175641 /nfs/dbraw/zinc/17/56/41/747175641.db2.gz KDHZISNRUCWGRQ-YJBOKZPZSA-N 1 1 337.464 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC)CC[C@@H]3C2)cc1 ZINC001088062144 747178701 /nfs/dbraw/zinc/17/87/01/747178701.db2.gz QRUXRCULPMFKFY-SJORKVTESA-N 1 1 325.412 0.808 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)Cn3cnnn3)CC2)s1 ZINC001002303284 747194247 /nfs/dbraw/zinc/19/42/47/747194247.db2.gz JSOFUTDPUSAZRV-UHFFFAOYSA-N 1 1 331.405 0.387 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCOC2)nn1 ZINC001029507633 747199703 /nfs/dbraw/zinc/19/97/03/747199703.db2.gz ULNIFWUKYJPUEN-KFWWJZLASA-N 1 1 331.420 0.789 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@@H]2C1 ZINC001088082686 747285096 /nfs/dbraw/zinc/28/50/96/747285096.db2.gz FXUNRTBKEBYPRF-XHSDSOJGSA-N 1 1 341.459 0.724 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)s1 ZINC001002461643 747382624 /nfs/dbraw/zinc/38/26/24/747382624.db2.gz IZSDJUJZJVSWAH-CQSZACIVSA-N 1 1 332.429 0.979 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104239 747389464 /nfs/dbraw/zinc/38/94/64/747389464.db2.gz AGUJDMOECDJCBG-ZOBORPQBSA-N 1 1 341.839 0.552 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104239 747389473 /nfs/dbraw/zinc/38/94/73/747389473.db2.gz AGUJDMOECDJCBG-ZOBORPQBSA-N 1 1 341.839 0.552 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001002473360 747402769 /nfs/dbraw/zinc/40/27/69/747402769.db2.gz DZAFRJCQOAUAOM-JKSUJKDBSA-N 1 1 334.464 0.448 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001002473360 747402771 /nfs/dbraw/zinc/40/27/71/747402771.db2.gz DZAFRJCQOAUAOM-JKSUJKDBSA-N 1 1 334.464 0.448 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@@H]2C1 ZINC001088114314 747419445 /nfs/dbraw/zinc/41/94/45/747419445.db2.gz HBAZHFWLROUIOK-ZNMIVQPWSA-N 1 1 330.436 0.592 20 30 ECEDMO C[C@H]([NH2+]Cc1cc(F)ccc1C#N)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979231844 747431299 /nfs/dbraw/zinc/43/12/99/747431299.db2.gz DNZDOTDMISOEIF-XHDPSFHLSA-N 1 1 348.378 0.278 20 30 ECEDMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979270782 747510866 /nfs/dbraw/zinc/51/08/66/747510866.db2.gz NVYNUXZNHWRIBP-IAQYHMDHSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@H]1CN(C(=[NH2+])NCc2n[nH]c(COc3ccccc3)n2)CCO1 ZINC000262429526 747523129 /nfs/dbraw/zinc/52/31/29/747523129.db2.gz DPSXOYYWFIHBIM-LBPRGKRZSA-N 1 1 330.392 0.919 20 30 ECEDMO C[C@H]1CN(C(=[NH2+])NCc2nnc(COc3ccccc3)[nH]2)CCO1 ZINC000262429526 747523130 /nfs/dbraw/zinc/52/31/30/747523130.db2.gz DPSXOYYWFIHBIM-LBPRGKRZSA-N 1 1 330.392 0.919 20 30 ECEDMO C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979292272 747525891 /nfs/dbraw/zinc/52/58/91/747525891.db2.gz LEWSIRTWAGZHSP-FZMZJTMJSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@@H]([NH2+]Cc1nncn1C)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979282226 747528240 /nfs/dbraw/zinc/52/82/40/747528240.db2.gz XCPUUOFBUXXQLF-RISCZKNCSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@H]([NH2+]Cc1nncs1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979283892 747532623 /nfs/dbraw/zinc/53/26/23/747532623.db2.gz ALNYIJBGBUMUKE-GXFFZTMASA-N 1 1 346.416 0.757 20 30 ECEDMO C[C@H]([NH2+]Cc1ncccn1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979287166 747538971 /nfs/dbraw/zinc/53/89/71/747538971.db2.gz DGDPIMBZNBWWGA-WFASDCNBSA-N 1 1 340.387 0.696 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979326752 747617488 /nfs/dbraw/zinc/61/74/88/747617488.db2.gz DYVYJQIQEYDWOX-HIFRSBDPSA-N 1 1 346.435 0.373 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979326759 747617892 /nfs/dbraw/zinc/61/78/92/747617892.db2.gz DYVYJQIQEYDWOX-ZFWWWQNUSA-N 1 1 346.435 0.373 20 30 ECEDMO CCc1nnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1C ZINC000979339826 747641175 /nfs/dbraw/zinc/64/11/75/747641175.db2.gz WEVKVIRASPTJKE-HIFRSBDPSA-N 1 1 345.447 0.496 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2nnnn2C)C1 ZINC000979379839 747706876 /nfs/dbraw/zinc/70/68/76/747706876.db2.gz SXXVWTQXCHFEPL-OLZOCXBDSA-N 1 1 336.440 0.518 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@@H]2C1 ZINC001088194710 747707664 /nfs/dbraw/zinc/70/76/64/747707664.db2.gz SHIKTTQLRVNWHE-HZSPNIEDSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]2C1 ZINC001088204087 747740452 /nfs/dbraw/zinc/74/04/52/747740452.db2.gz GYBDITGQTIVSSA-CJNGLKHVSA-N 1 1 326.400 0.598 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]2C1 ZINC001088219873 747764956 /nfs/dbraw/zinc/76/49/56/747764956.db2.gz ALQUILPWQDIRNX-CABCVRRESA-N 1 1 326.400 0.598 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(OC)ncnc3OC)C[C@@H]2C1 ZINC001088220947 747766578 /nfs/dbraw/zinc/76/65/78/747766578.db2.gz DRSLZOQNOSERME-KGLIPLIRSA-N 1 1 344.415 0.911 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001088233149 747790297 /nfs/dbraw/zinc/79/02/97/747790297.db2.gz JFOUCAZEEYBTBX-CVEARBPZSA-N 1 1 349.431 0.448 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC001088233671 747795712 /nfs/dbraw/zinc/79/57/12/747795712.db2.gz WYBYFVIFWZHSIG-DLBZAZTESA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001088234072 747801327 /nfs/dbraw/zinc/80/13/27/747801327.db2.gz IBJVITOQBXSUOE-MRXNPFEDSA-N 1 1 346.435 0.026 20 30 ECEDMO N#Cc1cc(C[NH+]2CCC(NC(=O)Cn3ncnn3)CC2)ccc1F ZINC001002824766 747836400 /nfs/dbraw/zinc/83/64/00/747836400.db2.gz UBZFNKOHSCHROO-UHFFFAOYSA-N 1 1 343.366 0.465 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](OCC2CCN(C(=O)C(N)=O)CC2)C1 ZINC001088237381 747837428 /nfs/dbraw/zinc/83/74/28/747837428.db2.gz SCFUJLYFFBLSEZ-CYBMUJFWSA-N 1 1 329.828 0.554 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C(N)=O)CC2)C1 ZINC001088237381 747837436 /nfs/dbraw/zinc/83/74/36/747837436.db2.gz SCFUJLYFFBLSEZ-CYBMUJFWSA-N 1 1 329.828 0.554 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](CC)SC)C1 ZINC001002829455 747845352 /nfs/dbraw/zinc/84/53/52/747845352.db2.gz LXBGORXMJGCDQC-LSDHHAIUSA-N 1 1 337.489 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](CC)SC)C1 ZINC001002829455 747845362 /nfs/dbraw/zinc/84/53/62/747845362.db2.gz LXBGORXMJGCDQC-LSDHHAIUSA-N 1 1 337.489 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001002833927 747853946 /nfs/dbraw/zinc/85/39/46/747853946.db2.gz AYHVNCGAOMTPKH-BBWFWOEESA-N 1 1 329.444 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001002833927 747853955 /nfs/dbraw/zinc/85/39/55/747853955.db2.gz AYHVNCGAOMTPKH-BBWFWOEESA-N 1 1 329.444 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001002834538 747854708 /nfs/dbraw/zinc/85/47/08/747854708.db2.gz FTFFTITYMMKFHN-KGLIPLIRSA-N 1 1 339.386 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001002834538 747854714 /nfs/dbraw/zinc/85/47/14/747854714.db2.gz FTFFTITYMMKFHN-KGLIPLIRSA-N 1 1 339.386 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccn(CC)n2)C1 ZINC001002835795 747857721 /nfs/dbraw/zinc/85/77/21/747857721.db2.gz PXGKHIOLVZZQBH-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccn(CC)n2)C1 ZINC001002835795 747857731 /nfs/dbraw/zinc/85/77/31/747857731.db2.gz PXGKHIOLVZZQBH-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2nnn(C)c2C)C1=O ZINC001027804075 747912972 /nfs/dbraw/zinc/91/29/72/747912972.db2.gz VHTOVQJCYIKTPT-KBPBESRZSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nnn(C)c2C)C1=O ZINC001027804075 747912976 /nfs/dbraw/zinc/91/29/76/747912976.db2.gz VHTOVQJCYIKTPT-KBPBESRZSA-N 1 1 346.435 0.105 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001027805202 747920293 /nfs/dbraw/zinc/92/02/93/747920293.db2.gz PCVBHISHWWKYDO-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)C3=COCCO3)C2)C1=O ZINC001029637773 747944591 /nfs/dbraw/zinc/94/45/91/747944591.db2.gz HMUPSKMIPVBXPW-LSDHHAIUSA-N 1 1 349.431 0.442 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027813466 748005639 /nfs/dbraw/zinc/00/56/39/748005639.db2.gz UFLSKIYGDPAONI-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO COCCc1noc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001029679637 748044829 /nfs/dbraw/zinc/04/48/29/748044829.db2.gz OODHFPMWIWMGQH-QWHCGFSZSA-N 1 1 335.408 0.698 20 30 ECEDMO COCCc1noc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001029679637 748044832 /nfs/dbraw/zinc/04/48/32/748044832.db2.gz OODHFPMWIWMGQH-QWHCGFSZSA-N 1 1 335.408 0.698 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001003035800 748101085 /nfs/dbraw/zinc/10/10/85/748101085.db2.gz GSOWGYDHJTYWDE-KRWDZBQOSA-N 1 1 340.427 0.735 20 30 ECEDMO Cn1ncc(C[N@H+](C)C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001029710195 748117373 /nfs/dbraw/zinc/11/73/73/748117373.db2.gz OKUYEQGYKKOEOF-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001029710195 748117377 /nfs/dbraw/zinc/11/73/77/748117377.db2.gz OKUYEQGYKKOEOF-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001029725381 748162639 /nfs/dbraw/zinc/16/26/39/748162639.db2.gz ZICDPFJAGYGZKH-HZPDHXFCSA-N 1 1 342.399 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(C)=O)CC12CCOCC2 ZINC001020842299 752248838 /nfs/dbraw/zinc/24/88/38/752248838.db2.gz DRHGZCJQIMISGR-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(C)=O)CC12CCOCC2 ZINC001020842299 752248844 /nfs/dbraw/zinc/24/88/44/752248844.db2.gz DRHGZCJQIMISGR-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001027825509 748196407 /nfs/dbraw/zinc/19/64/07/748196407.db2.gz BMRJFCWHQBFJPQ-HIFRSBDPSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001027825509 748196411 /nfs/dbraw/zinc/19/64/11/748196411.db2.gz BMRJFCWHQBFJPQ-HIFRSBDPSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001029755263 748262683 /nfs/dbraw/zinc/26/26/83/748262683.db2.gz LGQJMBOKOUOOKT-GJZGRUSLSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C[C@@H]2C1 ZINC000979740523 748322353 /nfs/dbraw/zinc/32/23/53/748322353.db2.gz FNTFUDYGPQFESV-GZBFAFLISA-N 1 1 326.462 0.824 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCCS3(=O)=O)C[C@H]2C1 ZINC000979777490 748375971 /nfs/dbraw/zinc/37/59/71/748375971.db2.gz SCSQUGMBNZABMP-SOUVJXGZSA-N 1 1 341.477 0.425 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001027836966 748408199 /nfs/dbraw/zinc/40/81/99/748408199.db2.gz YXLNRVNGNHBASL-MRXNPFEDSA-N 1 1 341.419 0.989 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC000985551039 748465272 /nfs/dbraw/zinc/46/52/72/748465272.db2.gz YFSOGEOYWCRZFB-HNNXBMFYSA-N 1 1 331.420 0.864 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)c3csnn3)CC2)C1=O ZINC001003386772 748495990 /nfs/dbraw/zinc/49/59/90/748495990.db2.gz JKQPTSNKVXLAFF-ZDUSSCGKSA-N 1 1 335.433 0.519 20 30 ECEDMO N#Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCNC3=O)CC2)ccc1F ZINC001003429678 748545900 /nfs/dbraw/zinc/54/59/00/748545900.db2.gz SMBNTIVEVPLGKF-HNNXBMFYSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]3CCNC3=O)CC2)c1 ZINC001003431062 748549340 /nfs/dbraw/zinc/54/93/40/748549340.db2.gz HAZYCYLAEDJRFU-HNNXBMFYSA-N 1 1 344.390 0.914 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC001003471386 748589104 /nfs/dbraw/zinc/58/91/04/748589104.db2.gz IPRZFMIKJNLROI-UHFFFAOYSA-N 1 1 337.383 0.456 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccccc2)CC1)[C@@H]1CNC(=O)N1 ZINC001003533047 748652379 /nfs/dbraw/zinc/65/23/79/748652379.db2.gz JOOQJNVYMCPQHO-INIZCTEOSA-N 1 1 326.400 0.300 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001003535485 748656507 /nfs/dbraw/zinc/65/65/07/748656507.db2.gz AOQKLWBXQLTFDM-KRWDZBQOSA-N 1 1 325.412 0.808 20 30 ECEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C(F)(F)F ZINC001112191161 748758636 /nfs/dbraw/zinc/75/86/36/748758636.db2.gz LJZPUGSHAZOGTM-GHMZBOCLSA-N 1 1 347.341 0.529 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=COCCC2)C1 ZINC000979967107 748758855 /nfs/dbraw/zinc/75/88/55/748758855.db2.gz GLGIGFNQNYZRAM-XIRDDKMYSA-N 1 1 345.443 0.789 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2=COCCC2)C1 ZINC000979967107 748758858 /nfs/dbraw/zinc/75/88/58/748758858.db2.gz GLGIGFNQNYZRAM-XIRDDKMYSA-N 1 1 345.443 0.789 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)c1 ZINC001027859441 748791478 /nfs/dbraw/zinc/79/14/78/748791478.db2.gz QQTZPTZUVVXHFI-HUUCEWRRSA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)c1 ZINC001027861635 748804280 /nfs/dbraw/zinc/80/42/80/748804280.db2.gz ZXBSWXDPFKJYOO-UKRRQHHQSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)c1 ZINC001027861635 748804288 /nfs/dbraw/zinc/80/42/88/748804288.db2.gz ZXBSWXDPFKJYOO-UKRRQHHQSA-N 1 1 346.362 0.886 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC(C)C)C2)C1 ZINC001059613297 748813341 /nfs/dbraw/zinc/81/33/41/748813341.db2.gz ZJFFEWIIYAWTQQ-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC(C)C)C2)C1 ZINC001059613297 748813349 /nfs/dbraw/zinc/81/33/49/748813349.db2.gz ZJFFEWIIYAWTQQ-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000980023742 748841493 /nfs/dbraw/zinc/84/14/93/748841493.db2.gz ZONZNTZEEDSYRH-NOLJZWGESA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001059622592 748857781 /nfs/dbraw/zinc/85/77/81/748857781.db2.gz LBDFALRWPARBJE-MRXNPFEDSA-N 1 1 328.416 0.960 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cnnn3C)C2)nn1 ZINC001029859425 748951963 /nfs/dbraw/zinc/95/19/63/748951963.db2.gz DAVYVYVQPQQRNE-CYBMUJFWSA-N 1 1 344.423 0.187 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2n[nH]cc2C)C1=O ZINC001027876127 748959886 /nfs/dbraw/zinc/95/98/86/748959886.db2.gz FTHSEPKEOVNPGV-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2n[nH]cc2C)C1=O ZINC001027876127 748959894 /nfs/dbraw/zinc/95/98/94/748959894.db2.gz FTHSEPKEOVNPGV-UONOGXRCSA-N 1 1 331.420 0.699 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 ZINC000980090272 748960818 /nfs/dbraw/zinc/96/08/18/748960818.db2.gz ZLUWEPCJXQVJFI-RRFJBIMHSA-N 1 1 333.436 0.375 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000985741694 748988011 /nfs/dbraw/zinc/98/80/11/748988011.db2.gz ONKVSTBHUASWIE-UHFFFAOYSA-N 1 1 336.436 0.816 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001003891613 749016003 /nfs/dbraw/zinc/01/60/03/749016003.db2.gz XHVORFAOIWZWKT-LBPRGKRZSA-N 1 1 338.371 0.615 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980170098 749106839 /nfs/dbraw/zinc/10/68/39/749106839.db2.gz YAEHYZCNDVTRMT-RRFJBIMHSA-N 1 1 346.431 0.742 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC000980193309 749126938 /nfs/dbraw/zinc/12/69/38/749126938.db2.gz LPPVWDASRJBUCL-IHRRRGAJSA-N 1 1 334.420 0.331 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nc4ncccn4n3)C[C@@H]2C1 ZINC000980187346 749139600 /nfs/dbraw/zinc/13/96/00/749139600.db2.gz IEBYVCANKBKMOJ-RRFJBIMHSA-N 1 1 338.415 0.978 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]2C1 ZINC000980187294 749140022 /nfs/dbraw/zinc/14/00/22/749140022.db2.gz HJONMQCFTXLNSW-GVDBMIGSSA-N 1 1 342.443 0.710 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001059654843 749151610 /nfs/dbraw/zinc/15/16/10/749151610.db2.gz YIXNUOXUCQLVGY-ZNMIVQPWSA-N 1 1 329.404 0.733 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001059654843 749151615 /nfs/dbraw/zinc/15/16/15/749151615.db2.gz YIXNUOXUCQLVGY-ZNMIVQPWSA-N 1 1 329.404 0.733 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccon3)CC2)CC1 ZINC000985823868 749175389 /nfs/dbraw/zinc/17/53/89/749175389.db2.gz ZTIYQRXMXQZVFN-UHFFFAOYSA-N 1 1 345.403 0.193 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC000980245788 749233845 /nfs/dbraw/zinc/23/38/45/749233845.db2.gz OQRKSCXPFOLIDQ-SOUVJXGZSA-N 1 1 333.432 0.928 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC000980265938 749274820 /nfs/dbraw/zinc/27/48/20/749274820.db2.gz WVQXKJVGOCUGKY-TZMCWYRMSA-N 1 1 349.884 0.744 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC000980265938 749274826 /nfs/dbraw/zinc/27/48/26/749274826.db2.gz WVQXKJVGOCUGKY-TZMCWYRMSA-N 1 1 349.884 0.744 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN([C@@H]3CCCNC3=O)CC2)CC1 ZINC001004210535 749321007 /nfs/dbraw/zinc/32/10/07/749321007.db2.gz WTXPXZZLZSVQJI-QGZVFWFLSA-N 1 1 346.475 0.191 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cnnn3C)C2)nc1 ZINC001029889921 749448052 /nfs/dbraw/zinc/44/80/52/749448052.db2.gz SKFOYQKNJMXQPX-HNNXBMFYSA-N 1 1 338.415 0.786 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001040149234 749499119 /nfs/dbraw/zinc/49/91/19/749499119.db2.gz XWOINGJLSMCQQG-LJQANCHMSA-N 1 1 349.475 0.744 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1)C2 ZINC001004440425 749499306 /nfs/dbraw/zinc/49/93/06/749499306.db2.gz DQCUDGALOJSSAK-RISCZKNCSA-N 1 1 329.404 0.488 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001004467785 749535652 /nfs/dbraw/zinc/53/56/52/749535652.db2.gz DHSHUFCBRUETLS-DZGCQCFKSA-N 1 1 326.462 0.756 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C)nn1 ZINC000986102741 749544145 /nfs/dbraw/zinc/54/41/45/749544145.db2.gz QWZNAFMCSMKWES-SMDDNHRTSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001004496762 749569296 /nfs/dbraw/zinc/56/92/96/749569296.db2.gz OMBXNSMCPXRVIU-HNNXBMFYSA-N 1 1 343.431 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001004496762 749569302 /nfs/dbraw/zinc/56/93/02/749569302.db2.gz OMBXNSMCPXRVIU-HNNXBMFYSA-N 1 1 343.431 0.312 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001004508154 749580790 /nfs/dbraw/zinc/58/07/90/749580790.db2.gz SGODZUDLACGJCR-HOTGVXAUSA-N 1 1 332.448 0.736 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000986189894 749648432 /nfs/dbraw/zinc/64/84/32/749648432.db2.gz YFACRWZYIYZQGG-RISCZKNCSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cnn(CC)n1 ZINC001027943584 749660981 /nfs/dbraw/zinc/66/09/81/749660981.db2.gz OKWCRMCRUGJZEP-IRXDYDNUSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cnn(CC)n1 ZINC001027943584 749660982 /nfs/dbraw/zinc/66/09/82/749660982.db2.gz OKWCRMCRUGJZEP-IRXDYDNUSA-N 1 1 344.463 0.476 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001004594580 749666308 /nfs/dbraw/zinc/66/63/08/749666308.db2.gz ALFQUDWGHLCDJC-HNNXBMFYSA-N 1 1 348.447 0.769 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cc(C)n(C)n1 ZINC001027942838 749668041 /nfs/dbraw/zinc/66/80/41/749668041.db2.gz HZRNSAZYPWLMTJ-ROUUACIJSA-N 1 1 343.475 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cc(C)n(C)n1 ZINC001027942838 749668045 /nfs/dbraw/zinc/66/80/45/749668045.db2.gz HZRNSAZYPWLMTJ-ROUUACIJSA-N 1 1 343.475 0.907 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCCN3CC#N)CC2)C1 ZINC001004615548 749690034 /nfs/dbraw/zinc/69/00/34/749690034.db2.gz HPFSLNIENUQXIB-IRXDYDNUSA-N 1 1 334.464 0.934 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC([C@@H]3CCCN3CC#N)CC2)C1 ZINC001004615548 749690039 /nfs/dbraw/zinc/69/00/39/749690039.db2.gz HPFSLNIENUQXIB-IRXDYDNUSA-N 1 1 334.464 0.934 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O ZINC000980539435 749709217 /nfs/dbraw/zinc/70/92/17/749709217.db2.gz QWQXTLBLMMRSMV-LSDHHAIUSA-N 1 1 331.420 0.203 20 30 ECEDMO C[C@@H]1[C@@H]([NH2+]Cc2nnc3n2CCOC3)CCN1C(=O)C#CC1CC1 ZINC000986277138 749745220 /nfs/dbraw/zinc/74/52/20/749745220.db2.gz ISFPXXRLCPFRBU-OCCSQVGLSA-N 1 1 329.404 0.301 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC3)C[C@H]2C1 ZINC000986308067 749777183 /nfs/dbraw/zinc/77/71/83/749777183.db2.gz FLYNHRPYOGPBEV-IKGGRYGDSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC3)C[C@H]2C1 ZINC000986308067 749777187 /nfs/dbraw/zinc/77/71/87/749777187.db2.gz FLYNHRPYOGPBEV-IKGGRYGDSA-N 1 1 329.444 0.801 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H](C[NH2+]Cc2nnn(C)n2)C[C@@H]1C ZINC000980605450 749841391 /nfs/dbraw/zinc/84/13/91/749841391.db2.gz SSSZBRKCGFDQJT-KBPBESRZSA-N 1 1 343.435 0.838 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001027977311 750141505 /nfs/dbraw/zinc/14/15/05/750141505.db2.gz PJDOOUKZQXNXAV-CYBMUJFWSA-N 1 1 327.388 0.955 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@H]2C1 ZINC000986597040 750167080 /nfs/dbraw/zinc/16/70/80/750167080.db2.gz GOMIKUQFOHLGPB-MJBXVCDLSA-N 1 1 329.404 0.809 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058849449 750172075 /nfs/dbraw/zinc/17/20/75/750172075.db2.gz UTLUURDPIVDUGV-CABCVRRESA-N 1 1 339.480 0.724 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3ccccc3Cl)C2)C1 ZINC001030184885 762015138 /nfs/dbraw/zinc/01/51/38/762015138.db2.gz YNVWCVGCBTZXPW-QGZVFWFLSA-N 1 1 347.846 0.823 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3ccccc3Cl)C2)C1 ZINC001030184885 762015149 /nfs/dbraw/zinc/01/51/49/762015149.db2.gz YNVWCVGCBTZXPW-QGZVFWFLSA-N 1 1 347.846 0.823 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1C ZINC001005048759 750180787 /nfs/dbraw/zinc/18/07/87/750180787.db2.gz QGWPLSVAUYHSLA-CZUORRHYSA-N 1 1 328.416 0.958 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000980834086 750238027 /nfs/dbraw/zinc/23/80/27/750238027.db2.gz NNIDSGZNWFFCJN-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ocnc3C)[C@H]2C)C1=O ZINC001088509553 750282268 /nfs/dbraw/zinc/28/22/68/750282268.db2.gz WZVYZBYDGONJAO-RDBSUJKOSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ocnc3C)[C@H]2C)C1=O ZINC001088509553 750282275 /nfs/dbraw/zinc/28/22/75/750282275.db2.gz WZVYZBYDGONJAO-RDBSUJKOSA-N 1 1 332.404 0.963 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058856831 750346225 /nfs/dbraw/zinc/34/62/25/750346225.db2.gz DAGSBQWWCHAFGD-LSDHHAIUSA-N 1 1 329.404 0.605 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058856831 750346231 /nfs/dbraw/zinc/34/62/31/750346231.db2.gz DAGSBQWWCHAFGD-LSDHHAIUSA-N 1 1 329.404 0.605 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CC[NH+](Cc2cnnn2C)CC1 ZINC001005223612 750397225 /nfs/dbraw/zinc/39/72/25/750397225.db2.gz HOWYBRIIBGLMMJ-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000980991755 750425376 /nfs/dbraw/zinc/42/53/76/750425376.db2.gz RMJFUXNOYGYNAI-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000980991755 750425378 /nfs/dbraw/zinc/42/53/78/750425378.db2.gz RMJFUXNOYGYNAI-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001028068948 750470844 /nfs/dbraw/zinc/47/08/44/750470844.db2.gz YZXJPNDVIRKIFI-STQMWFEESA-N 1 1 332.408 0.094 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001028068948 750470850 /nfs/dbraw/zinc/47/08/50/750470850.db2.gz YZXJPNDVIRKIFI-STQMWFEESA-N 1 1 332.408 0.094 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)c1 ZINC001028071291 750482818 /nfs/dbraw/zinc/48/28/18/750482818.db2.gz AXBXFXJBFRQNSO-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)c1 ZINC001028071291 750482823 /nfs/dbraw/zinc/48/28/23/750482823.db2.gz AXBXFXJBFRQNSO-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)cc1 ZINC001028072187 750495602 /nfs/dbraw/zinc/49/56/02/750495602.db2.gz IYTZFRARPFKZPP-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cnn(C)c2)C1 ZINC001005686114 750526391 /nfs/dbraw/zinc/52/63/91/750526391.db2.gz RWVNXRJDHAXCRD-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cnn(C)c2)C1 ZINC001005686114 750526393 /nfs/dbraw/zinc/52/63/93/750526393.db2.gz RWVNXRJDHAXCRD-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CC)[C@H]2C)nn1 ZINC000987133437 750528385 /nfs/dbraw/zinc/52/83/85/750528385.db2.gz KUGGARJPELGOMH-CHWSQXEVSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+]Cc2nc(CC(C)C)no2)nn1 ZINC001167839066 750534637 /nfs/dbraw/zinc/53/46/37/750534637.db2.gz SMVVYYKZBCNYMN-UHFFFAOYSA-N 1 1 347.423 0.955 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3nnn(C)n3)C2)c1 ZINC000981332142 750591483 /nfs/dbraw/zinc/59/14/83/750591483.db2.gz ZZBJNBLTUWXJNF-HUUCEWRRSA-N 1 1 339.403 0.417 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cc(C)ncn2)CC1 ZINC000981365482 750627857 /nfs/dbraw/zinc/62/78/57/750627857.db2.gz NXZJPMCGVFWRHL-SFHVURJKSA-N 1 1 341.459 0.917 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cc(C)ncn2)CC1 ZINC000981365482 750627862 /nfs/dbraw/zinc/62/78/62/750627862.db2.gz NXZJPMCGVFWRHL-SFHVURJKSA-N 1 1 341.459 0.917 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000981365654 750628380 /nfs/dbraw/zinc/62/83/80/750628380.db2.gz TXCXGGXGXHQNNF-RDJZCZTQSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000981365654 750628382 /nfs/dbraw/zinc/62/83/82/750628382.db2.gz TXCXGGXGXHQNNF-RDJZCZTQSA-N 1 1 346.475 0.285 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001005864985 750744296 /nfs/dbraw/zinc/74/42/96/750744296.db2.gz FQSWAQPSWMVRML-NSHDSACASA-N 1 1 340.387 0.668 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059794287 750754241 /nfs/dbraw/zinc/75/42/41/750754241.db2.gz FFQVYMQERFCCGX-QLFBSQMISA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059794287 750754244 /nfs/dbraw/zinc/75/42/44/750754244.db2.gz FFQVYMQERFCCGX-QLFBSQMISA-N 1 1 344.419 0.517 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001005929166 750812607 /nfs/dbraw/zinc/81/26/07/750812607.db2.gz ODLVFDUJXWPWGH-ABAIWWIYSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001005940706 750823997 /nfs/dbraw/zinc/82/39/97/750823997.db2.gz UABOVLNGIQZPER-STQMWFEESA-N 1 1 343.431 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)cn1 ZINC000987464579 750879001 /nfs/dbraw/zinc/87/90/01/750879001.db2.gz QANKSHOQRRBANV-XOKHGSTOSA-N 1 1 340.427 0.876 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001028108969 750894164 /nfs/dbraw/zinc/89/41/64/750894164.db2.gz BKKUXCWDENQRPC-HUUCEWRRSA-N 1 1 327.388 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)[C@@H]4CCOC4)C3)C2)C1=O ZINC000981659241 750940359 /nfs/dbraw/zinc/94/03/59/750940359.db2.gz DBFHJHHGXFOTCM-HZPDHXFCSA-N 1 1 347.459 0.734 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2CCCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000981672077 750952130 /nfs/dbraw/zinc/95/21/30/750952130.db2.gz MWIGGEOLWXCTNC-CYBMUJFWSA-N 1 1 330.436 0.979 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)[C@H]2C)CC1 ZINC000987567628 750970138 /nfs/dbraw/zinc/97/01/38/750970138.db2.gz FTORQFCKXOCGAV-NVXWUHKLSA-N 1 1 344.463 0.202 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CCCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000981722305 751002464 /nfs/dbraw/zinc/00/24/64/751002464.db2.gz PAODXWDZVFQZSH-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)C1=O ZINC000981722501 751003228 /nfs/dbraw/zinc/00/32/28/751003228.db2.gz WVTBVCHIETYJHT-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CC[NH+]([C@H](C)C(N)=O)CC2)nn1 ZINC001006113573 751029308 /nfs/dbraw/zinc/02/93/08/751029308.db2.gz UOOPHZOTDQSJTD-GFCCVEGCSA-N 1 1 334.424 0.264 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)CC[N@H+]1C ZINC000987624619 751044649 /nfs/dbraw/zinc/04/46/49/751044649.db2.gz GSKCQDBDNDXQRG-GBOPCIDUSA-N 1 1 343.431 0.946 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCCN(C)C2=O)c1 ZINC001028125981 751125259 /nfs/dbraw/zinc/12/52/59/751125259.db2.gz BZTCCYZLJRRHGD-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)C(=O)NCC(F)(F)F)CC1 ZINC001098514154 751136631 /nfs/dbraw/zinc/13/66/31/751136631.db2.gz KDTNBQYHNICNCY-UHFFFAOYSA-N 1 1 337.342 0.136 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCCC2=O)c1 ZINC001028128202 751137266 /nfs/dbraw/zinc/13/72/66/751137266.db2.gz BOYMOFSWTIUMKP-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)c3coc(S(N)(=O)=O)c3)C2)C1 ZINC000981852886 751197121 /nfs/dbraw/zinc/19/71/21/751197121.db2.gz AABGUNIOLFKCIL-UHFFFAOYSA-N 1 1 339.417 0.651 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC000981853651 751202510 /nfs/dbraw/zinc/20/25/10/751202510.db2.gz SHRAFGFXXYBAON-UHFFFAOYSA-N 1 1 348.491 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC000987806344 751211428 /nfs/dbraw/zinc/21/14/28/751211428.db2.gz NATALILVTBLJGI-XHSDSOJGSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC000987806344 751211432 /nfs/dbraw/zinc/21/14/32/751211432.db2.gz NATALILVTBLJGI-XHSDSOJGSA-N 1 1 335.448 0.426 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)c4cn[nH]n4)C3)C2)C1=O ZINC000981867442 751219241 /nfs/dbraw/zinc/21/92/41/751219241.db2.gz FLBCZYCDRXCWOB-AWEZNQCLSA-N 1 1 344.419 0.130 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)C1CC[NH+](CC(=O)NC)CC1 ZINC001006303703 751222204 /nfs/dbraw/zinc/22/22/04/751222204.db2.gz QALLESVJRXAKDX-UHFFFAOYSA-N 1 1 344.415 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]cc2C)C1 ZINC001006316123 751237381 /nfs/dbraw/zinc/23/73/81/751237381.db2.gz RYZHTAZXXODOET-PBHICJAKSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]cc2C)C1 ZINC001006316123 751237386 /nfs/dbraw/zinc/23/73/86/751237386.db2.gz RYZHTAZXXODOET-PBHICJAKSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cncn2C)C1 ZINC001006317183 751238688 /nfs/dbraw/zinc/23/86/88/751238688.db2.gz XUCWNKVDMPGCER-HIFRSBDPSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cncn2C)C1 ZINC001006317183 751238694 /nfs/dbraw/zinc/23/86/94/751238694.db2.gz XUCWNKVDMPGCER-HIFRSBDPSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CCCO2)C1 ZINC001006320280 751242543 /nfs/dbraw/zinc/24/25/43/751242543.db2.gz OWVSFRIYJWRJDF-KBMXLJTQSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CCCO2)C1 ZINC001006320280 751242546 /nfs/dbraw/zinc/24/25/46/751242546.db2.gz OWVSFRIYJWRJDF-KBMXLJTQSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC000981897096 751250909 /nfs/dbraw/zinc/25/09/09/751250909.db2.gz IBLBBHIBVFORBX-CVEARBPZSA-N 1 1 347.459 0.747 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C2)C1 ZINC000981909840 751264757 /nfs/dbraw/zinc/26/47/57/751264757.db2.gz KOIOVAGVOBMZIS-OAHLLOKOSA-N 1 1 327.432 0.707 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC000981936777 751302619 /nfs/dbraw/zinc/30/26/19/751302619.db2.gz AEZZBXYRIIXSDA-ZDUSSCGKSA-N 1 1 333.432 0.928 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001028334241 752414132 /nfs/dbraw/zinc/41/41/32/752414132.db2.gz YPUWKPANSVGEFL-SFHVURJKSA-N 1 1 343.475 0.846 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC001126366415 752584665 /nfs/dbraw/zinc/58/46/65/752584665.db2.gz VAPOOLPAAREVCA-QGZVFWFLSA-N 1 1 330.388 0.868 20 30 ECEDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000982504490 752604560 /nfs/dbraw/zinc/60/45/60/752604560.db2.gz WQVDTROBRRBXQH-HDICACEKSA-N 1 1 344.390 0.853 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cncnc3C)C2)C1=O ZINC001028423870 752609925 /nfs/dbraw/zinc/60/99/25/752609925.db2.gz SEOYBJHYFXQUBO-GDBMZVCRSA-N 1 1 343.431 0.624 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)ccc1F ZINC001028449229 752679034 /nfs/dbraw/zinc/67/90/34/752679034.db2.gz XTLKWQGBJVOAHY-XJKSGUPXSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cnn(CC)c3)C2)C1=O ZINC001028452032 752690221 /nfs/dbraw/zinc/69/02/21/752690221.db2.gz DRWDVXWYHVRFSS-GOEBONIOSA-N 1 1 345.447 0.742 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC001007653607 752716948 /nfs/dbraw/zinc/71/69/48/752716948.db2.gz JJHWLAXEUZWZDJ-APWZRJJASA-N 1 1 345.443 0.324 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000938040670 752739851 /nfs/dbraw/zinc/73/98/51/752739851.db2.gz VJRGHYZMGWDTAH-XOKHGSTOSA-N 1 1 340.427 0.734 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001028464809 752753498 /nfs/dbraw/zinc/75/34/98/752753498.db2.gz FSSMQTODORPZSI-QWHCGFSZSA-N 1 1 346.269 0.664 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001028464809 752753504 /nfs/dbraw/zinc/75/35/04/752753504.db2.gz FSSMQTODORPZSI-QWHCGFSZSA-N 1 1 346.269 0.664 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2c(C)nc3ccccc32)[C@@H](O)C1 ZINC001083451851 752776291 /nfs/dbraw/zinc/77/62/91/752776291.db2.gz ISWYWBBPIKOBQI-WBVHZDCISA-N 1 1 326.400 0.529 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2c(C)nc3ccccc32)[C@@H](O)C1 ZINC001083451851 752776293 /nfs/dbraw/zinc/77/62/93/752776293.db2.gz ISWYWBBPIKOBQI-WBVHZDCISA-N 1 1 326.400 0.529 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@]3(C)C[N@H+](CC(=O)NC)C[C@]3(C)C2)c1 ZINC000982536090 752804361 /nfs/dbraw/zinc/80/43/61/752804361.db2.gz XXDZKMWSCVNRCB-KDURUIRLSA-N 1 1 340.427 0.593 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001028489888 752829542 /nfs/dbraw/zinc/82/95/42/752829542.db2.gz DDPWOXQLFMOXBC-CRAIPNDOSA-N 1 1 342.443 0.827 20 30 ECEDMO COc1nccc(C[N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028491479 752835027 /nfs/dbraw/zinc/83/50/27/752835027.db2.gz ZCCNISGVKWFKFK-GFCCVEGCSA-N 1 1 340.387 0.937 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000982547439 752862273 /nfs/dbraw/zinc/86/22/73/752862273.db2.gz PNPPXVCHQCJOPY-HIFRSBDPSA-N 1 1 346.435 0.137 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001028505798 752954523 /nfs/dbraw/zinc/95/45/23/752954523.db2.gz MUVCSJHUCILUDA-OAHLLOKOSA-N 1 1 340.427 0.975 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001007842619 752979018 /nfs/dbraw/zinc/97/90/18/752979018.db2.gz CGDDWQBTGUPCBF-CQSZACIVSA-N 1 1 332.404 0.107 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001007842619 752979024 /nfs/dbraw/zinc/97/90/24/752979024.db2.gz CGDDWQBTGUPCBF-CQSZACIVSA-N 1 1 332.404 0.107 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028536166 753095494 /nfs/dbraw/zinc/09/54/94/753095494.db2.gz NIOAKAKHDFNEAR-ZIAGYGMSSA-N 1 1 331.420 0.777 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@]3(C)C[N@H+](CCO)C[C@]3(C)C2)nn1 ZINC000982635145 753163790 /nfs/dbraw/zinc/16/37/90/753163790.db2.gz ZHVVKESIVBOKDB-CALCHBBNSA-N 1 1 333.436 0.631 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000989049899 753177835 /nfs/dbraw/zinc/17/78/35/753177835.db2.gz SUJBDEIAMPREFR-IPYPFGDCSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982651894 753221151 /nfs/dbraw/zinc/22/11/51/753221151.db2.gz OAXCMUVGVVFTRA-HDICACEKSA-N 1 1 348.447 0.675 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001008058847 753252905 /nfs/dbraw/zinc/25/29/05/753252905.db2.gz RVCSRCMIDHPRIP-ZDUSSCGKSA-N 1 1 327.388 0.549 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001008058847 753252912 /nfs/dbraw/zinc/25/29/12/753252912.db2.gz RVCSRCMIDHPRIP-ZDUSSCGKSA-N 1 1 327.388 0.549 20 30 ECEDMO CN1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001051493411 762199752 /nfs/dbraw/zinc/19/97/52/762199752.db2.gz JUGJFPYYOOAODK-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc3n2CCCCC3)C1 ZINC001051495774 762209795 /nfs/dbraw/zinc/20/97/95/762209795.db2.gz YAHNVJNJIVZVJJ-KBPBESRZSA-N 1 1 346.435 0.481 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@]3(C)C[N@@H+](CC(N)=O)C[C@]3(C)C2)cn1 ZINC000982743823 753456587 /nfs/dbraw/zinc/45/65/87/753456587.db2.gz CJSVPCOPMDZQBT-HDICACEKSA-N 1 1 326.400 0.332 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@]3(C)C[N@H+](CC(N)=O)C[C@]3(C)C2)cn1 ZINC000982743823 753456588 /nfs/dbraw/zinc/45/65/88/753456588.db2.gz CJSVPCOPMDZQBT-HDICACEKSA-N 1 1 326.400 0.332 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000982777586 753530113 /nfs/dbraw/zinc/53/01/13/753530113.db2.gz CLEAAJINBZVXIO-ZDUSSCGKSA-N 1 1 340.387 0.670 20 30 ECEDMO CCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)[nH]n1 ZINC001083346625 753623894 /nfs/dbraw/zinc/62/38/94/753623894.db2.gz RQPNQPQNWKGQJV-SJORKVTESA-N 1 1 339.399 0.819 20 30 ECEDMO CCc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)[nH]n1 ZINC001083346625 753623897 /nfs/dbraw/zinc/62/38/97/753623897.db2.gz RQPNQPQNWKGQJV-SJORKVTESA-N 1 1 339.399 0.819 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)CC)C[C@@]2(C)C1 ZINC001101218765 753695744 /nfs/dbraw/zinc/69/57/44/753695744.db2.gz KQCCUKKPFJUXOG-FHLIZLRMSA-N 1 1 337.464 0.572 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083368228 753703150 /nfs/dbraw/zinc/70/31/50/753703150.db2.gz HBNUMYXOMZJDEZ-ZACQAIPSSA-N 1 1 328.416 0.314 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001083368612 753704999 /nfs/dbraw/zinc/70/49/99/753704999.db2.gz RKLLFHRVFPWBNN-ZACQAIPSSA-N 1 1 346.406 0.453 20 30 ECEDMO CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)cn1 ZINC001083376417 753726594 /nfs/dbraw/zinc/72/65/94/753726594.db2.gz TUGYYBKKDIBYTI-SJORKVTESA-N 1 1 339.399 0.750 20 30 ECEDMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)cn1 ZINC001083376417 753726599 /nfs/dbraw/zinc/72/65/99/753726599.db2.gz TUGYYBKKDIBYTI-SJORKVTESA-N 1 1 339.399 0.750 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CCOC3)[C@@H](O)C2)c1 ZINC001083380466 753738074 /nfs/dbraw/zinc/73/80/74/753738074.db2.gz XNFMEJHAEWIIRA-BBWFWOEESA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CCOC3)[C@@H](O)C2)c1 ZINC001083380466 753738077 /nfs/dbraw/zinc/73/80/77/753738077.db2.gz XNFMEJHAEWIIRA-BBWFWOEESA-N 1 1 329.400 0.646 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001028593798 753763973 /nfs/dbraw/zinc/76/39/73/753763973.db2.gz UJNARUWRJXKJDM-HIFRSBDPSA-N 1 1 344.415 0.531 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC001008471461 753775230 /nfs/dbraw/zinc/77/52/30/753775230.db2.gz ZRPHSAYMPZKBFQ-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC001008471461 753775231 /nfs/dbraw/zinc/77/52/31/753775231.db2.gz ZRPHSAYMPZKBFQ-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO COc1cccc(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)c1 ZINC001083392797 753794582 /nfs/dbraw/zinc/79/45/82/753794582.db2.gz ZJUQKBORALTFCN-SJORKVTESA-N 1 1 340.383 0.870 20 30 ECEDMO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)c1 ZINC001083392797 753794586 /nfs/dbraw/zinc/79/45/86/753794586.db2.gz ZJUQKBORALTFCN-SJORKVTESA-N 1 1 340.383 0.870 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)nc2)C1 ZINC001105531616 753799752 /nfs/dbraw/zinc/79/97/52/753799752.db2.gz BZDGBBANMZBFCU-QGZVFWFLSA-N 1 1 345.447 0.957 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2nccnc2C#N)C1 ZINC001105532259 753801560 /nfs/dbraw/zinc/80/15/60/753801560.db2.gz UYOBEEZZFFZQMZ-HNNXBMFYSA-N 1 1 346.435 0.352 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccnc3C(N)=O)C[C@@]2(C)C1 ZINC000982816049 753839635 /nfs/dbraw/zinc/83/96/35/753839635.db2.gz CKWQPZWCEZBMFW-KDURUIRLSA-N 1 1 340.427 0.988 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001028598074 753857572 /nfs/dbraw/zinc/85/75/72/753857572.db2.gz LSSTVGYLUVWPTE-WMLDXEAASA-N 1 1 325.412 0.975 20 30 ECEDMO CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001112105922 762247359 /nfs/dbraw/zinc/24/73/59/762247359.db2.gz KUMJZKVPTTUNIP-NXEZZACHSA-N 1 1 332.326 0.405 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001028600808 753876149 /nfs/dbraw/zinc/87/61/49/753876149.db2.gz DOIFFLCJDIFSJG-GJZGRUSLSA-N 1 1 347.488 0.882 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001028603518 753898777 /nfs/dbraw/zinc/89/87/77/753898777.db2.gz BWJXRBFTDKXOMH-HOTGVXAUSA-N 1 1 327.432 0.907 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC000989431731 753902638 /nfs/dbraw/zinc/90/26/38/753902638.db2.gz WGPRTKPXQQGKOX-UHFFFAOYSA-N 1 1 347.463 0.882 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nncs2)C1 ZINC001028604202 753902644 /nfs/dbraw/zinc/90/26/44/753902644.db2.gz RRWWGXFFGCRNCA-KGLIPLIRSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nncs2)C1 ZINC001028604202 753902650 /nfs/dbraw/zinc/90/26/50/753902650.db2.gz RRWWGXFFGCRNCA-KGLIPLIRSA-N 1 1 333.461 0.574 20 30 ECEDMO C=CCC[N@H+]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC000989431738 753903061 /nfs/dbraw/zinc/90/30/61/753903061.db2.gz WOZPIZQDXQBMIT-UHFFFAOYSA-N 1 1 333.436 0.492 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001028617793 753947735 /nfs/dbraw/zinc/94/77/35/753947735.db2.gz KRJMOFDSHVRAJZ-TZMCWYRMSA-N 1 1 345.403 0.021 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989480597 754016313 /nfs/dbraw/zinc/01/63/13/754016313.db2.gz IYJZBQSPIWSXFZ-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C[C@@H](CCNC(=O)CSCC#N)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001075678232 754021634 /nfs/dbraw/zinc/02/16/34/754021634.db2.gz RGMOFEKVMHSNAZ-ZDUSSCGKSA-N 1 1 340.493 0.986 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028639082 754131264 /nfs/dbraw/zinc/13/12/64/754131264.db2.gz RTVMYKHSCUVBRX-LLVKDONJSA-N 1 1 325.390 0.002 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028640896 754146687 /nfs/dbraw/zinc/14/66/87/754146687.db2.gz XORAGMYOYNNBIK-KGLIPLIRSA-N 1 1 333.436 0.950 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001008817531 754152184 /nfs/dbraw/zinc/15/21/84/754152184.db2.gz CANASQRHNRUTNB-AWEZNQCLSA-N 1 1 334.424 0.336 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001008822609 754159146 /nfs/dbraw/zinc/15/91/46/754159146.db2.gz YQNDMBBHCWNLIT-CQSZACIVSA-N 1 1 334.424 0.336 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)c1nncn1C ZINC001051524589 762275509 /nfs/dbraw/zinc/27/55/09/762275509.db2.gz VZTHCWRGHYMSNU-DGCLKSJQSA-N 1 1 343.391 0.207 20 30 ECEDMO Cc1conc1C[NH2+]C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC001051524730 762276172 /nfs/dbraw/zinc/27/61/72/762276172.db2.gz WRMWYJSESBELBQ-ZDUSSCGKSA-N 1 1 329.360 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000982921982 754203014 /nfs/dbraw/zinc/20/30/14/754203014.db2.gz IKSXSYCEVYVIBF-PMPSAXMXSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000982921982 754203021 /nfs/dbraw/zinc/20/30/21/754203021.db2.gz IKSXSYCEVYVIBF-PMPSAXMXSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2nonc2C)C1 ZINC000982923788 754207085 /nfs/dbraw/zinc/20/70/85/754207085.db2.gz RCJUATDONMZHMT-KBPBESRZSA-N 1 1 345.403 0.054 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2nonc2C)C1 ZINC000982923788 754207090 /nfs/dbraw/zinc/20/70/90/754207090.db2.gz RCJUATDONMZHMT-KBPBESRZSA-N 1 1 345.403 0.054 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnsn2)C1 ZINC000982924743 754212745 /nfs/dbraw/zinc/21/27/45/754212745.db2.gz ZRWGYUPJXGMZKD-JSGCOSHPSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnsn2)C1 ZINC000982924743 754212751 /nfs/dbraw/zinc/21/27/51/754212751.db2.gz ZRWGYUPJXGMZKD-JSGCOSHPSA-N 1 1 347.444 0.214 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cn[nH]n3)C2)cc1 ZINC001028650032 754232630 /nfs/dbraw/zinc/23/26/30/754232630.db2.gz QFEJKLMHPSIRNA-AWEZNQCLSA-N 1 1 340.387 0.959 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cnn[nH]3)C2)cc1 ZINC001028650032 754232636 /nfs/dbraw/zinc/23/26/36/754232636.db2.gz QFEJKLMHPSIRNA-AWEZNQCLSA-N 1 1 340.387 0.959 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cnn[nH]3)C2)cc1 ZINC001028650032 754232642 /nfs/dbraw/zinc/23/26/42/754232642.db2.gz QFEJKLMHPSIRNA-AWEZNQCLSA-N 1 1 340.387 0.959 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989661007 754269208 /nfs/dbraw/zinc/26/92/08/754269208.db2.gz FDTDHHOFMAIIND-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2sccc2-n2cnnn2)C1 ZINC001028655967 754319887 /nfs/dbraw/zinc/31/98/87/754319887.db2.gz BFTPMHQVTLYZIS-LBPRGKRZSA-N 1 1 330.417 0.799 20 30 ECEDMO Cc1nsc(NC[C@H](O)CNC(=O)C[N@H+](C)C(C)C)c1C#N ZINC001105868899 762301145 /nfs/dbraw/zinc/30/11/45/762301145.db2.gz IAHRFQSHUBLBNG-LLVKDONJSA-N 1 1 325.438 0.552 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1 ZINC001009062099 754495577 /nfs/dbraw/zinc/49/55/77/754495577.db2.gz HMQJUKCRMAOWNR-TUVASFSCSA-N 1 1 341.415 0.272 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000983053371 754514465 /nfs/dbraw/zinc/51/44/65/754514465.db2.gz FHZAXSPIWXCPHT-GDBMZVCRSA-N 1 1 340.427 0.593 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN(CCOC)c1ccncc1C#N ZINC001126403433 754517624 /nfs/dbraw/zinc/51/76/24/754517624.db2.gz FIRFMCDJMUQRHD-UHFFFAOYSA-N 1 1 333.436 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4cn[nH]c4)CCC[C@H]23)C1=O ZINC000989965482 754597583 /nfs/dbraw/zinc/59/75/83/754597583.db2.gz BDBIHKHJLCUICZ-MPGHIAIKSA-N 1 1 343.431 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC3CC3)C[C@H]21 ZINC001009193046 754636889 /nfs/dbraw/zinc/63/68/89/754636889.db2.gz SHDZIYXBFIAMMR-NXOAAHMSSA-N 1 1 329.444 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC3CC3)C[C@H]21 ZINC001009193046 754636892 /nfs/dbraw/zinc/63/68/92/754636892.db2.gz SHDZIYXBFIAMMR-NXOAAHMSSA-N 1 1 329.444 0.705 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001009229898 754686403 /nfs/dbraw/zinc/68/64/03/754686403.db2.gz FCCNSEAXWZUTGN-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001009229898 754686408 /nfs/dbraw/zinc/68/64/08/754686408.db2.gz FCCNSEAXWZUTGN-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC001009269835 754726610 /nfs/dbraw/zinc/72/66/10/754726610.db2.gz PZPIUKGOVZJUKV-DZGCQCFKSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC001009269835 754726612 /nfs/dbraw/zinc/72/66/12/754726612.db2.gz PZPIUKGOVZJUKV-DZGCQCFKSA-N 1 1 328.416 0.734 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990158825 754784027 /nfs/dbraw/zinc/78/40/27/754784027.db2.gz AGJVKFNWZXZCSM-FABXCBLPSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@H](OC)C1 ZINC001213198209 754819294 /nfs/dbraw/zinc/81/92/94/754819294.db2.gz RTBLGZAQUCZQJO-VQHPVUNQSA-N 1 1 338.448 0.820 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)cc1 ZINC001028732866 754902102 /nfs/dbraw/zinc/90/21/02/754902102.db2.gz QFIKMTWSVOEMDN-RDJZCZTQSA-N 1 1 325.412 0.950 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)s1 ZINC001051563680 762348118 /nfs/dbraw/zinc/34/81/18/762348118.db2.gz TVNIUSQAGMLDLV-ZDUSSCGKSA-N 1 1 346.416 0.677 20 30 ECEDMO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1=O ZINC001028749118 754963441 /nfs/dbraw/zinc/96/34/41/754963441.db2.gz DYFRDYJWTIXXDA-IRXDYDNUSA-N 1 1 340.427 0.975 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)c1 ZINC001028792901 755141817 /nfs/dbraw/zinc/14/18/17/755141817.db2.gz OXJAAOLULQARDD-OAHLLOKOSA-N 1 1 341.415 0.140 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001028795351 755150028 /nfs/dbraw/zinc/15/00/28/755150028.db2.gz YLWFGHRHHIYIMV-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cn(CC)nn2)C1 ZINC001028812754 755206884 /nfs/dbraw/zinc/20/68/84/755206884.db2.gz MVWCHDMFKLOWQI-IMJJTQAJSA-N 1 1 333.436 0.827 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cn(CC)nn2)C1 ZINC001028812754 755206887 /nfs/dbraw/zinc/20/68/87/755206887.db2.gz MVWCHDMFKLOWQI-IMJJTQAJSA-N 1 1 333.436 0.827 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cncnc4)[C@@H]3C2)C1=O ZINC001075717135 755260396 /nfs/dbraw/zinc/26/03/96/755260396.db2.gz YQFAXVRGGUHLDU-CWRNSKLLSA-N 1 1 341.415 0.410 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccn(CC)n3)C2)nn1 ZINC001028852645 755310566 /nfs/dbraw/zinc/31/05/66/755310566.db2.gz LNFWMLOXOCHLEZ-CQSZACIVSA-N 1 1 343.435 0.932 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccn(CC)n3)C2)nn1 ZINC001028852645 755310569 /nfs/dbraw/zinc/31/05/69/755310569.db2.gz LNFWMLOXOCHLEZ-CQSZACIVSA-N 1 1 343.435 0.932 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)nn1 ZINC001028853872 755314150 /nfs/dbraw/zinc/31/41/50/755314150.db2.gz ZOPGSUAODUNZHR-CYBMUJFWSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccn(C)n3)C2)nn1 ZINC001028853872 755314157 /nfs/dbraw/zinc/31/41/57/755314157.db2.gz ZOPGSUAODUNZHR-CYBMUJFWSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001009768829 755382575 /nfs/dbraw/zinc/38/25/75/755382575.db2.gz QRNFMQLUXBBQOY-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001009768829 755382578 /nfs/dbraw/zinc/38/25/78/755382578.db2.gz QRNFMQLUXBBQOY-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001028899389 755433545 /nfs/dbraw/zinc/43/35/45/755433545.db2.gz JBFYEIAMYRJSNL-LSDHHAIUSA-N 1 1 333.436 0.942 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)[C@@H]2C1 ZINC001075962501 755489030 /nfs/dbraw/zinc/48/90/30/755489030.db2.gz MPICGJBQWHHOSF-GXTWGEPZSA-N 1 1 325.372 0.517 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001075964718 755491230 /nfs/dbraw/zinc/49/12/30/755491230.db2.gz HETBEHDGPZUSCY-BFHYXJOUSA-N 1 1 331.420 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc(C)cn2)CC1 ZINC001010045997 755596668 /nfs/dbraw/zinc/59/66/68/755596668.db2.gz KBHAGYAMSPKCMH-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc(C)cn2)CC1 ZINC001010045997 755596669 /nfs/dbraw/zinc/59/66/69/755596669.db2.gz KBHAGYAMSPKCMH-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)cc1 ZINC001083478996 755613569 /nfs/dbraw/zinc/61/35/69/755613569.db2.gz PUFJIBCZDQSQHS-SJORKVTESA-N 1 1 340.383 0.892 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)cc1 ZINC001083478996 755613572 /nfs/dbraw/zinc/61/35/72/755613572.db2.gz PUFJIBCZDQSQHS-SJORKVTESA-N 1 1 340.383 0.892 20 30 ECEDMO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncn[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105667329 755614985 /nfs/dbraw/zinc/61/49/85/755614985.db2.gz QPBPUNCGVJHKQC-DTTOXWODSA-N 1 1 345.447 0.337 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001040284898 755627749 /nfs/dbraw/zinc/62/77/49/755627749.db2.gz YVDUAOAECSOVHW-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)[C@@H](O)C1 ZINC001083483969 755643416 /nfs/dbraw/zinc/64/34/16/755643416.db2.gz PDKBEXTWSMZLMT-XHSDSOJGSA-N 1 1 335.448 0.372 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)c1 ZINC000990703304 755652003 /nfs/dbraw/zinc/65/20/03/755652003.db2.gz IOSBOSLHRAAQFN-ZBFHGGJFSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3c2cccc3OC)[C@@H](O)C1 ZINC001083496090 755705587 /nfs/dbraw/zinc/70/55/87/755705587.db2.gz DGWNBNVZQNZBDA-OLZOCXBDSA-N 1 1 330.388 0.923 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)[C@@H](O)C1 ZINC001083503759 755761166 /nfs/dbraw/zinc/76/11/66/755761166.db2.gz BECKFMJADYYPMU-BMFZPTHFSA-N 1 1 335.448 0.208 20 30 ECEDMO Cc1ccc(F)c(-n2nnnc2C[NH2+]CCNC(=O)C#CC2CC2)c1 ZINC001126881444 755778745 /nfs/dbraw/zinc/77/87/45/755778745.db2.gz TXICSIWHHDUDKU-UHFFFAOYSA-N 1 1 342.378 0.729 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)nn1 ZINC001098658940 755779670 /nfs/dbraw/zinc/77/96/70/755779670.db2.gz LECYJPNGUKJIEU-HIFRSBDPSA-N 1 1 344.423 0.570 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)[C@@H](O)C1 ZINC001083513743 755821453 /nfs/dbraw/zinc/82/14/53/755821453.db2.gz WWVKXILOCHZVII-UPJWGTAASA-N 1 1 336.440 0.269 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccccn2)[C@@H](O)C1 ZINC001083513837 755826152 /nfs/dbraw/zinc/82/61/52/755826152.db2.gz AYPIQHARUDQJRO-CABCVRRESA-N 1 1 325.372 0.270 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010255091 755891082 /nfs/dbraw/zinc/89/10/82/755891082.db2.gz NISWUCSSIXXPGL-NVXWUHKLSA-N 1 1 345.399 0.673 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001010255091 755891084 /nfs/dbraw/zinc/89/10/84/755891084.db2.gz NISWUCSSIXXPGL-NVXWUHKLSA-N 1 1 345.399 0.673 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)COCCOC)CC1 ZINC001105678517 755922186 /nfs/dbraw/zinc/92/21/86/755922186.db2.gz JTRUFPUZXDWBAZ-HDICACEKSA-N 1 1 349.475 0.422 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4sccn4c3=O)[C@@H]2C1 ZINC001076007527 755947281 /nfs/dbraw/zinc/94/72/81/755947281.db2.gz CTBONRXTCPZFEK-GXTWGEPZSA-N 1 1 342.424 0.926 20 30 ECEDMO C#CCCCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076028838 756017871 /nfs/dbraw/zinc/01/78/71/756017871.db2.gz PEMMEXQGAZANPC-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CCCCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076028838 756017883 /nfs/dbraw/zinc/01/78/83/756017883.db2.gz PEMMEXQGAZANPC-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CSCC#N)C1 ZINC001051600781 762437785 /nfs/dbraw/zinc/43/77/85/762437785.db2.gz YOTGPUDPDBBLAV-ZIAGYGMSSA-N 1 1 340.493 0.938 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)CC[NH+]1CCOCC1 ZINC001076071084 756057146 /nfs/dbraw/zinc/05/71/46/756057146.db2.gz JSTIOJKCEZESQX-ZDUSSCGKSA-N 1 1 347.419 0.233 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010381204 756063384 /nfs/dbraw/zinc/06/33/84/756063384.db2.gz MVSFTPGLTSFURW-HUUCEWRRSA-N 1 1 342.399 0.536 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010381204 756063390 /nfs/dbraw/zinc/06/33/90/756063390.db2.gz MVSFTPGLTSFURW-HUUCEWRRSA-N 1 1 342.399 0.536 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]nc4C)[C@@H]3C2)C1=O ZINC001076112375 756088951 /nfs/dbraw/zinc/08/89/51/756088951.db2.gz CNCAKIKLUDLERY-CWRNSKLLSA-N 1 1 343.431 0.651 20 30 ECEDMO COCC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001098661748 756091538 /nfs/dbraw/zinc/09/15/38/756091538.db2.gz RQTOSHKKNJSUFE-HNNXBMFYSA-N 1 1 343.391 0.301 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccn[nH]3)CC2)CC1 ZINC001010417599 756104788 /nfs/dbraw/zinc/10/47/88/756104788.db2.gz ABWSKTNLVRNAEP-UHFFFAOYSA-N 1 1 329.404 0.039 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CCNC(=O)C1 ZINC001010500961 756188980 /nfs/dbraw/zinc/18/89/80/756188980.db2.gz ZEWCDVCKJJSSMX-IRXDYDNUSA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCNC(=O)C1 ZINC001010500961 756188983 /nfs/dbraw/zinc/18/89/83/756188983.db2.gz ZEWCDVCKJJSSMX-IRXDYDNUSA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001076219901 756224131 /nfs/dbraw/zinc/22/41/31/756224131.db2.gz HABUGNGUJHUAJJ-SWLSCSKDSA-N 1 1 331.420 0.995 20 30 ECEDMO O=C(C#CC1CC1)N1CCO[C@@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001051609635 762459581 /nfs/dbraw/zinc/45/95/81/762459581.db2.gz YDSMHOLGQOAOPD-KRWDZBQOSA-N 1 1 343.431 0.419 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010649148 756349650 /nfs/dbraw/zinc/34/96/50/756349650.db2.gz CQOKVRAMJHYFNJ-ZFWWWQNUSA-N 1 1 327.388 0.477 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010649148 756349654 /nfs/dbraw/zinc/34/96/54/756349654.db2.gz CQOKVRAMJHYFNJ-ZFWWWQNUSA-N 1 1 327.388 0.477 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001010651625 756352656 /nfs/dbraw/zinc/35/26/56/756352656.db2.gz NOINBLJHKGEQBD-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001010685769 756395622 /nfs/dbraw/zinc/39/56/22/756395622.db2.gz AQLZQDHIAAMVPT-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010687744 756398117 /nfs/dbraw/zinc/39/81/17/756398117.db2.gz FOLSSHWHNMCTCV-MSOLQXFVSA-N 1 1 327.428 0.559 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010687744 756398121 /nfs/dbraw/zinc/39/81/21/756398121.db2.gz FOLSSHWHNMCTCV-MSOLQXFVSA-N 1 1 327.428 0.559 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010690867 756402940 /nfs/dbraw/zinc/40/29/40/756402940.db2.gz QACOWAYYDAWKFA-ZFWWWQNUSA-N 1 1 327.388 0.477 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010690867 756402946 /nfs/dbraw/zinc/40/29/46/756402946.db2.gz QACOWAYYDAWKFA-ZFWWWQNUSA-N 1 1 327.388 0.477 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1 ZINC001076401385 756474690 /nfs/dbraw/zinc/47/46/90/756474690.db2.gz NPKJQBBETZUCHS-JKSUJKDBSA-N 1 1 328.416 0.416 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001010765521 756497045 /nfs/dbraw/zinc/49/70/45/756497045.db2.gz GPNQGXBGVKDRQF-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001010765521 756497046 /nfs/dbraw/zinc/49/70/46/756497046.db2.gz GPNQGXBGVKDRQF-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4nnc[nH]4)[C@@H]3C2)cc1 ZINC001076444936 756536690 /nfs/dbraw/zinc/53/66/90/756536690.db2.gz ZKMCJQNGLCMHBW-JKSUJKDBSA-N 1 1 336.399 0.952 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001010835549 756582371 /nfs/dbraw/zinc/58/23/71/756582371.db2.gz JBHKPOXISCGWNH-LSDHHAIUSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001076506365 756591018 /nfs/dbraw/zinc/59/10/18/756591018.db2.gz UBGVTVDYUAKFKN-HOTGVXAUSA-N 1 1 337.464 0.910 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 ZINC001076517415 756593746 /nfs/dbraw/zinc/59/37/46/756593746.db2.gz MAPLETVYIQCUBY-QWHCGFSZSA-N 1 1 339.827 0.175 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 ZINC001076517415 756593749 /nfs/dbraw/zinc/59/37/49/756593749.db2.gz MAPLETVYIQCUBY-QWHCGFSZSA-N 1 1 339.827 0.175 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1c1nccnc1C#N ZINC001060124302 756624229 /nfs/dbraw/zinc/62/42/29/756624229.db2.gz XYPUSHWEWXZMOY-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(F)F)nc2C)[C@@H](O)C1 ZINC001083549415 756634762 /nfs/dbraw/zinc/63/47/62/756634762.db2.gz HQBQFYHARXDMFC-OLZOCXBDSA-N 1 1 326.347 0.255 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001010878713 756635389 /nfs/dbraw/zinc/63/53/89/756635389.db2.gz QVUVRXDOXLEOFL-ZDUSSCGKSA-N 1 1 343.855 0.767 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001010878713 756635392 /nfs/dbraw/zinc/63/53/92/756635392.db2.gz QVUVRXDOXLEOFL-ZDUSSCGKSA-N 1 1 343.855 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cscn1 ZINC001076560140 756656107 /nfs/dbraw/zinc/65/61/07/756656107.db2.gz YAYBFELQJXWQEI-ZFWWWQNUSA-N 1 1 348.472 0.794 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cscn1 ZINC001076560140 756656110 /nfs/dbraw/zinc/65/61/10/756656110.db2.gz YAYBFELQJXWQEI-ZFWWWQNUSA-N 1 1 348.472 0.794 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)Cn2cc[nH+]c2C)cn1 ZINC001076598441 756712892 /nfs/dbraw/zinc/71/28/92/756712892.db2.gz BAHKDUMXECXMAU-ZDUSSCGKSA-N 1 1 339.399 0.893 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001076601289 756717669 /nfs/dbraw/zinc/71/76/69/756717669.db2.gz LSDWLKQHUWDIEL-HOCLYGCPSA-N 1 1 345.447 0.300 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990898439 756771439 /nfs/dbraw/zinc/77/14/39/756771439.db2.gz KUOMRTRMTFEPGG-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011027856 756789672 /nfs/dbraw/zinc/78/96/72/756789672.db2.gz FUXKYDWNMZOAOQ-ZDUSSCGKSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2cnc(C#N)cn2)C1 ZINC001060129258 756805104 /nfs/dbraw/zinc/80/51/04/756805104.db2.gz LKHUQGCIPZGIJA-LSDHHAIUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2cnc(C#N)cn2)C1 ZINC001060129258 756805111 /nfs/dbraw/zinc/80/51/11/756805111.db2.gz LKHUQGCIPZGIJA-LSDHHAIUSA-N 1 1 344.419 0.154 20 30 ECEDMO CCn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048778516 756964169 /nfs/dbraw/zinc/96/41/69/756964169.db2.gz ADXOPNZMMFNLLI-OKILXGFUSA-N 1 1 339.403 0.702 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3cnn(C)c3)nn2)C1 ZINC001107142794 757011873 /nfs/dbraw/zinc/01/18/73/757011873.db2.gz PURXOFCLSMLGPE-UHFFFAOYSA-N 1 1 329.408 0.303 20 30 ECEDMO Cn1nncc1C(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048796187 757025259 /nfs/dbraw/zinc/02/52/59/757025259.db2.gz GICOTLXBWHMNJU-CALCHBBNSA-N 1 1 335.411 0.871 20 30 ECEDMO CCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]n1 ZINC001076759415 757025508 /nfs/dbraw/zinc/02/55/08/757025508.db2.gz RQPNQPQNWKGQJV-IAGOWNOFSA-N 1 1 339.399 0.819 20 30 ECEDMO CCc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]n1 ZINC001076759415 757025515 /nfs/dbraw/zinc/02/55/15/757025515.db2.gz RQPNQPQNWKGQJV-IAGOWNOFSA-N 1 1 339.399 0.819 20 30 ECEDMO Cn1nncc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2C1 ZINC001048796292 757027206 /nfs/dbraw/zinc/02/72/06/757027206.db2.gz KFFCBDXTFBWXRY-TXEJJXNPSA-N 1 1 342.428 0.952 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ncc[nH]4)C[C@H]3C2)C1=O ZINC001048807936 757061904 /nfs/dbraw/zinc/06/19/04/757061904.db2.gz BZECYHFCFYPHHC-MJBXVCDLSA-N 1 1 329.404 0.200 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001048810889 757069789 /nfs/dbraw/zinc/06/97/89/757069789.db2.gz JIEIMHYZMPWWTQ-HOTGVXAUSA-N 1 1 337.464 0.408 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001011160886 757072458 /nfs/dbraw/zinc/07/24/58/757072458.db2.gz WQJSNPLZEXAFMV-ULQDDVLXSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(OCC(N)=O)c3)CCC[C@H]12 ZINC000990972611 757109419 /nfs/dbraw/zinc/10/94/19/757109419.db2.gz KIPHGKGHEPEBSO-LPHOPBHVSA-N 1 1 341.411 0.911 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]2C1 ZINC001048826908 757122550 /nfs/dbraw/zinc/12/25/50/757122550.db2.gz NTVAQGUPAYIRFN-LJIZCISZSA-N 1 1 335.448 0.492 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@@H]2C1 ZINC001048827247 757123150 /nfs/dbraw/zinc/12/31/50/757123150.db2.gz YZZSQRBYHBTYQY-WTTBNOFXSA-N 1 1 345.447 0.687 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@H]2C1 ZINC001048827247 757123153 /nfs/dbraw/zinc/12/31/53/757123153.db2.gz YZZSQRBYHBTYQY-WTTBNOFXSA-N 1 1 345.447 0.687 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@H]3CN(CC#N)C[C@H]3C2)n[nH]1 ZINC001048830910 757132654 /nfs/dbraw/zinc/13/26/54/757132654.db2.gz AEQPLQLJNGDWLE-DVOMOZLQSA-N 1 1 328.420 0.704 20 30 ECEDMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@H]3CN(CC#N)C[C@H]3C2)n[nH]1 ZINC001048830910 757132660 /nfs/dbraw/zinc/13/26/60/757132660.db2.gz AEQPLQLJNGDWLE-DVOMOZLQSA-N 1 1 328.420 0.704 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3c(CC)c(CC)n[nH]c3=O)C[C@H]2C1 ZINC001048849041 757176374 /nfs/dbraw/zinc/17/63/74/757176374.db2.gz KEEOTWUSFJTJMQ-BETUJISGSA-N 1 1 328.416 0.944 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cn(-c4cccnc4)nn3)C[C@H]2C1 ZINC001048852381 757184189 /nfs/dbraw/zinc/18/41/89/757184189.db2.gz AGOYQXFPOLXXMS-GASCZTMLSA-N 1 1 336.399 0.689 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCc1cn(C2C[NH+]([C@H](C)COC)C2)nn1 ZINC001107163816 757197204 /nfs/dbraw/zinc/19/72/04/757197204.db2.gz CATWIAOSFAXNNX-WBMJQRKESA-N 1 1 337.424 0.113 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)CCc3c(C)nc(=O)[nH]c3C)C[C@H]2C1 ZINC001048861911 757211286 /nfs/dbraw/zinc/21/12/86/757211286.db2.gz OUDIGCRXDJRCBL-GASCZTMLSA-N 1 1 328.416 0.755 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@H]2C1 ZINC001048862509 757215680 /nfs/dbraw/zinc/21/56/80/757215680.db2.gz WVUXWUPSXFJINA-IXDOHACOSA-N 1 1 329.448 0.227 20 30 ECEDMO C[C@@H](O)CCC[NH+]1CC(n2cc(CNC(=O)C#CC(C)(C)C)nn2)C1 ZINC001107171207 757217868 /nfs/dbraw/zinc/21/78/68/757217868.db2.gz NHJRYMOVHOOMNX-CQSZACIVSA-N 1 1 347.463 0.962 20 30 ECEDMO CC[C@H](C[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1)OC ZINC001107171318 757218383 /nfs/dbraw/zinc/21/83/83/757218383.db2.gz RZSARSSQFWZVPS-MRXNPFEDSA-N 1 1 331.420 0.589 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C[C@H]2C1 ZINC001048866091 757227486 /nfs/dbraw/zinc/22/74/86/757227486.db2.gz VWILAAFETUBUDU-OKILXGFUSA-N 1 1 325.368 0.655 20 30 ECEDMO Cc1nc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001068464635 790323740 /nfs/dbraw/zinc/32/37/40/790323740.db2.gz VRNRUQZTWXLURD-BPUTZDHNSA-N 1 1 343.431 0.899 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2c2cncc(C#N)n2)C1 ZINC001060144236 757324810 /nfs/dbraw/zinc/32/48/10/757324810.db2.gz BXDMDZTVPFYYSQ-ZFWWWQNUSA-N 1 1 328.420 0.775 20 30 ECEDMO Cc1nc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001068464635 790323724 /nfs/dbraw/zinc/32/37/24/790323724.db2.gz VRNRUQZTWXLURD-BPUTZDHNSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001048913072 757383261 /nfs/dbraw/zinc/38/32/61/757383261.db2.gz RJYISNRYPLQVMF-GJZGRUSLSA-N 1 1 339.480 0.959 20 30 ECEDMO C=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)NC)nn1 ZINC001021403767 757397785 /nfs/dbraw/zinc/39/77/85/757397785.db2.gz BIQKJRWDAWSACE-FUDCBSFHSA-N 1 1 346.435 0.324 20 30 ECEDMO C#CCOc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)cc1 ZINC001021403840 757398589 /nfs/dbraw/zinc/39/85/89/757398589.db2.gz GFKGIVSWDLQOFQ-MQVJKMGUSA-N 1 1 341.411 0.909 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3coc4c3C(=O)NCCC4)C[C@H]2C1 ZINC001048948156 757489789 /nfs/dbraw/zinc/48/97/89/757489789.db2.gz XSTPQTJISWBHCG-OKILXGFUSA-N 1 1 341.411 0.983 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@H]2C1 ZINC001048957199 757511552 /nfs/dbraw/zinc/51/15/52/757511552.db2.gz GIBGVAZRFUESND-OKILXGFUSA-N 1 1 337.387 0.084 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]1 ZINC001076897524 757513428 /nfs/dbraw/zinc/51/34/28/757513428.db2.gz VNJVMRUDTULWNW-IAGOWNOFSA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]1 ZINC001076897524 757513436 /nfs/dbraw/zinc/51/34/36/757513436.db2.gz VNJVMRUDTULWNW-IAGOWNOFSA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)[nH]1 ZINC001076898508 757516353 /nfs/dbraw/zinc/51/63/53/757516353.db2.gz MFPXPTQBDZJEAL-NUEKZKHPSA-N 1 1 332.404 0.620 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)[nH]1 ZINC001076898502 757516742 /nfs/dbraw/zinc/51/67/42/757516742.db2.gz MAMXPKYHUFWLDZ-ZIAGYGMSSA-N 1 1 331.401 0.360 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)[nH]1 ZINC001076898502 757516749 /nfs/dbraw/zinc/51/67/49/757516749.db2.gz MAMXPKYHUFWLDZ-ZIAGYGMSSA-N 1 1 331.401 0.360 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)[nH]1 ZINC001076898732 757518227 /nfs/dbraw/zinc/51/82/27/757518227.db2.gz XSRSJBQOGBTIAZ-UPJWGTAASA-N 1 1 340.330 0.085 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)[nH]1 ZINC001076898732 757518233 /nfs/dbraw/zinc/51/82/33/757518233.db2.gz XSRSJBQOGBTIAZ-UPJWGTAASA-N 1 1 340.330 0.085 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@H]2C1 ZINC001048960850 757523707 /nfs/dbraw/zinc/52/37/07/757523707.db2.gz OTFOTAOIEPOHGX-QLFBSQMISA-N 1 1 341.402 0.366 20 30 ECEDMO CC#CCCCC(=O)NCc1cn(C2C[NH+](C[C@H](C)OC)C2)nn1 ZINC001107198030 757558071 /nfs/dbraw/zinc/55/80/71/757558071.db2.gz POHPEIKXNDDHSW-AWEZNQCLSA-N 1 1 333.436 0.980 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2O)c[nH]1 ZINC001076906115 757558379 /nfs/dbraw/zinc/55/83/79/757558379.db2.gz NSCGCIAGZSHOJK-HUUCEWRRSA-N 1 1 330.413 0.965 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)c[nH]1 ZINC001076906331 757558656 /nfs/dbraw/zinc/55/86/56/757558656.db2.gz WCQRBRJCKVXAAJ-ZIAGYGMSSA-N 1 1 331.401 0.360 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)c[nH]1 ZINC001076906331 757558661 /nfs/dbraw/zinc/55/86/61/757558661.db2.gz WCQRBRJCKVXAAJ-ZIAGYGMSSA-N 1 1 331.401 0.360 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001105900580 762560862 /nfs/dbraw/zinc/56/08/62/762560862.db2.gz PJBOHQYWWDEPHI-OAHLLOKOSA-N 1 1 342.403 0.828 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC001021557230 757597837 /nfs/dbraw/zinc/59/78/37/757597837.db2.gz FAVXAFHLCHEERV-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(CCOC)nn2)C1 ZINC001021585327 757643055 /nfs/dbraw/zinc/64/30/55/757643055.db2.gz RDNPWTNPTMKCQL-WBVHZDCISA-N 1 1 345.447 0.874 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cnc3n2CCOC3)C1 ZINC001021608947 757682774 /nfs/dbraw/zinc/68/27/74/757682774.db2.gz UKZJRQQUIHDUDJ-CABCVRRESA-N 1 1 328.416 0.973 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021617478 757690637 /nfs/dbraw/zinc/69/06/37/757690637.db2.gz VANDTQHCNMGYGF-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021617492 757690783 /nfs/dbraw/zinc/69/07/83/757690783.db2.gz VJWMYXMPQOXQPC-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)C1 ZINC001107210483 757692670 /nfs/dbraw/zinc/69/26/70/757692670.db2.gz KMOOWBLXYGSWOX-XGACYXMMSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)C1 ZINC001107210483 757692675 /nfs/dbraw/zinc/69/26/75/757692675.db2.gz KMOOWBLXYGSWOX-XGACYXMMSA-N 1 1 330.392 0.153 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN(CC(F)F)C3)C[C@H]2C1 ZINC001049012816 757693295 /nfs/dbraw/zinc/69/32/95/757693295.db2.gz KJAQVFHHWLAPKN-KFWWJZLASA-N 1 1 325.403 0.987 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021623161 757701670 /nfs/dbraw/zinc/70/16/70/757701670.db2.gz NKTTYOVRIOWKMH-LSDHHAIUSA-N 1 1 346.431 0.838 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001054238987 767850790 /nfs/dbraw/zinc/85/07/90/767850790.db2.gz HSNNADPENYYJSL-QGZVFWFLSA-N 1 1 330.388 0.047 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)C[N@@H+]3CCC(C)(C)C3)nn2)C1 ZINC001107212077 757741715 /nfs/dbraw/zinc/74/17/15/757741715.db2.gz MZTHDEWKJWGGBI-UHFFFAOYSA-N 1 1 344.463 0.506 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)C[N@H+]3CCC(C)(C)C3)nn2)C1 ZINC001107212099 757742301 /nfs/dbraw/zinc/74/23/01/757742301.db2.gz NYEXFKKDMDMWAK-UHFFFAOYSA-N 1 1 344.463 0.506 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@@H+](CCO)CC[C@H]32)nn1 ZINC001021687351 757782530 /nfs/dbraw/zinc/78/25/30/757782530.db2.gz HUMHGCWBOUKWJL-GOEBONIOSA-N 1 1 333.436 0.773 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001021696344 757806403 /nfs/dbraw/zinc/80/64/03/757806403.db2.gz JLMNGJBXMFVNAY-IRXDYDNUSA-N 1 1 342.443 0.806 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)Cc3c[nH]cn3)nn2)C1 ZINC001107217659 757823499 /nfs/dbraw/zinc/82/34/99/757823499.db2.gz URVVUHDUKDAURH-ZDUSSCGKSA-N 1 1 343.435 0.929 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001021711046 757844942 /nfs/dbraw/zinc/84/49/42/757844942.db2.gz RPZOZUVGVJMQIE-KGLIPLIRSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021713268 757848959 /nfs/dbraw/zinc/84/89/59/757848959.db2.gz NODHWWOKKYCISU-CABCVRRESA-N 1 1 348.447 0.769 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3nnc4c3CCCC4)C[C@H]2C1 ZINC001049063795 757850161 /nfs/dbraw/zinc/85/01/61/757850161.db2.gz JKPNQXFMEAJEPX-GASCZTMLSA-N 1 1 327.432 0.570 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2nc(C)ccc2=O)C1 ZINC001021718689 757857828 /nfs/dbraw/zinc/85/78/28/757857828.db2.gz ILIAYXQSFPECKA-SJORKVTESA-N 1 1 342.443 0.888 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2C1 ZINC001049068419 757870151 /nfs/dbraw/zinc/87/01/51/757870151.db2.gz RXXNWGOHMMYRAJ-ATLSCFEFSA-N 1 1 344.459 0.944 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@H]2C1 ZINC001049068986 757872874 /nfs/dbraw/zinc/87/28/74/757872874.db2.gz JAFBIDZJNRKCAY-CTTHAOKLSA-N 1 1 347.459 0.635 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2nc3ncccn3n2)C1 ZINC001021737111 757885013 /nfs/dbraw/zinc/88/50/13/757885013.db2.gz RMXTUCBBEXKGRN-CABCVRRESA-N 1 1 338.415 0.613 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001077015429 757928641 /nfs/dbraw/zinc/92/86/41/757928641.db2.gz VNRMGMFAHCWDOU-VQHPVUNQSA-N 1 1 331.416 0.897 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSCC#N ZINC001077020002 757953030 /nfs/dbraw/zinc/95/30/30/757953030.db2.gz KXPURWLBFVNRRF-LBPRGKRZSA-N 1 1 326.466 0.738 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3cn(C)nn3)nn2)C1 ZINC001107241866 757997791 /nfs/dbraw/zinc/99/77/91/757997791.db2.gz HVQOQJJLANESBS-UHFFFAOYSA-N 1 1 344.423 0.088 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3CCOCC3)CCC[C@@H]12 ZINC001107251872 758044323 /nfs/dbraw/zinc/04/43/23/758044323.db2.gz ZAWMFWYBCVRTMI-VQIMIIECSA-N 1 1 347.459 0.523 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001077059618 758057178 /nfs/dbraw/zinc/05/71/78/758057178.db2.gz RWMUYTUYTZMXIF-DGCLKSJQSA-N 1 1 326.347 0.314 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001077059618 758057185 /nfs/dbraw/zinc/05/71/85/758057185.db2.gz RWMUYTUYTZMXIF-DGCLKSJQSA-N 1 1 326.347 0.314 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001077065698 758078850 /nfs/dbraw/zinc/07/88/50/758078850.db2.gz QQEHJMZSVMSGAA-HUUCEWRRSA-N 1 1 328.372 0.274 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnn(C)c3)CCC[C@@H]12 ZINC001107275944 758135002 /nfs/dbraw/zinc/13/50/02/758135002.db2.gz PLNXVLHVQAKRDV-CRAIPNDOSA-N 1 1 345.447 0.697 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049150297 758135124 /nfs/dbraw/zinc/13/51/24/758135124.db2.gz SWMWBLMXAAKSHK-JYJNAYRXSA-N 1 1 339.480 0.961 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001077088918 758156246 /nfs/dbraw/zinc/15/62/46/758156246.db2.gz QNXDDEJWSUPBLJ-RBSFLKMASA-N 1 1 337.464 0.761 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049158686 758166107 /nfs/dbraw/zinc/16/61/07/758166107.db2.gz DHZKZERAJZNYIL-QLFBSQMISA-N 1 1 331.420 0.819 20 30 ECEDMO Cn1cnnc1C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12 ZINC001107289487 758178493 /nfs/dbraw/zinc/17/84/93/758178493.db2.gz AHXRDXGSOAKASY-CZUORRHYSA-N 1 1 348.476 0.933 20 30 ECEDMO Cn1cnnc1C[N@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12 ZINC001107289487 758178500 /nfs/dbraw/zinc/17/85/00/758178500.db2.gz AHXRDXGSOAKASY-CZUORRHYSA-N 1 1 348.476 0.933 20 30 ECEDMO N#Cc1ccc(NC/C=C/CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)nn1 ZINC001107281569 758183491 /nfs/dbraw/zinc/18/34/91/758183491.db2.gz NGLQRBNJUMLTLJ-IMLGJKEDSA-N 1 1 326.404 0.918 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@H]2C1 ZINC001049169795 758203324 /nfs/dbraw/zinc/20/33/24/758203324.db2.gz VARANLADVODSLV-BETUJISGSA-N 1 1 325.372 0.462 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001077113462 758215160 /nfs/dbraw/zinc/21/51/60/758215160.db2.gz JYDJSTHLDIGLJY-HZPDHXFCSA-N 1 1 329.404 0.766 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001077113462 758215173 /nfs/dbraw/zinc/21/51/73/758215173.db2.gz JYDJSTHLDIGLJY-HZPDHXFCSA-N 1 1 329.404 0.766 20 30 ECEDMO CS[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107294809 758216010 /nfs/dbraw/zinc/21/60/10/758216010.db2.gz FXZHAUJNYPHDTG-WOSRLPQWSA-N 1 1 338.477 0.738 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@H]3C2)cn1 ZINC001049177717 758232467 /nfs/dbraw/zinc/23/24/67/758232467.db2.gz KCXGTAHDSHHZSQ-GASCZTMLSA-N 1 1 338.411 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]3C2)cn1 ZINC001049178262 758233443 /nfs/dbraw/zinc/23/34/43/758233443.db2.gz BYYHYLNCCKDYHZ-BMFZPTHFSA-N 1 1 340.427 0.543 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccnn2C)C1=O ZINC001032308475 758257221 /nfs/dbraw/zinc/25/72/21/758257221.db2.gz LRFNCNOLFIRHAS-YDHLFZDLSA-N 1 1 329.404 0.106 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccnn2C)C1=O ZINC001032308475 758257230 /nfs/dbraw/zinc/25/72/30/758257230.db2.gz LRFNCNOLFIRHAS-YDHLFZDLSA-N 1 1 329.404 0.106 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@H]2C1 ZINC001049191629 758260341 /nfs/dbraw/zinc/26/03/41/758260341.db2.gz AOCRWRBFVNGFRL-BETUJISGSA-N 1 1 337.383 0.758 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@H]2C1 ZINC001049198821 758282033 /nfs/dbraw/zinc/28/20/33/758282033.db2.gz HMZGBGGVLZJJEL-OKILXGFUSA-N 1 1 326.404 0.931 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C)SC ZINC001077124442 758284679 /nfs/dbraw/zinc/28/46/79/758284679.db2.gz WAVKSIHZYIZRHP-MJBXVCDLSA-N 1 1 325.478 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C)SC ZINC001077124442 758284682 /nfs/dbraw/zinc/28/46/82/758284682.db2.gz WAVKSIHZYIZRHP-MJBXVCDLSA-N 1 1 325.478 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cscn1 ZINC001077124331 758285529 /nfs/dbraw/zinc/28/55/29/758285529.db2.gz SFHVWNSYHSXRQI-JSGCOSHPSA-N 1 1 334.445 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cscn1 ZINC001077124331 758285538 /nfs/dbraw/zinc/28/55/38/758285538.db2.gz SFHVWNSYHSXRQI-JSGCOSHPSA-N 1 1 334.445 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C)n1cccn1 ZINC001077124596 758287045 /nfs/dbraw/zinc/28/70/45/758287045.db2.gz ZOLKEEWPPDZZQM-JYJNAYRXSA-N 1 1 345.447 0.553 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C)n1cccn1 ZINC001077124596 758287054 /nfs/dbraw/zinc/28/70/54/758287054.db2.gz ZOLKEEWPPDZZQM-JYJNAYRXSA-N 1 1 345.447 0.553 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1oncc1C ZINC001077125428 758289895 /nfs/dbraw/zinc/28/98/95/758289895.db2.gz UZNFVDMVPMFSSZ-KBPBESRZSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1oncc1C ZINC001077125428 758289906 /nfs/dbraw/zinc/28/99/06/758289906.db2.gz UZNFVDMVPMFSSZ-KBPBESRZSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001077159313 758377471 /nfs/dbraw/zinc/37/74/71/758377471.db2.gz YXYWUSIVBATKAW-FGTMMUONSA-N 1 1 349.475 0.062 20 30 ECEDMO CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)C[C@@H](C)O2 ZINC001111539147 758390734 /nfs/dbraw/zinc/39/07/34/758390734.db2.gz WZBOXQDPNSNUAI-UONOGXRCSA-N 1 1 336.436 0.364 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]3C2)CC1 ZINC001049235074 758403030 /nfs/dbraw/zinc/40/30/30/758403030.db2.gz KSRAUHSTFANAMI-YTQUADARSA-N 1 1 345.487 0.758 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]3C2)CC1 ZINC001049235074 758403037 /nfs/dbraw/zinc/40/30/37/758403037.db2.gz KSRAUHSTFANAMI-YTQUADARSA-N 1 1 345.487 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nc(COC)no2)C1 ZINC001022221028 758443377 /nfs/dbraw/zinc/44/33/77/758443377.db2.gz VNKULESBMQOLMS-MJBXVCDLSA-N 1 1 347.419 0.050 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nc(COC)no2)C1 ZINC001022221028 758443381 /nfs/dbraw/zinc/44/33/81/758443381.db2.gz VNKULESBMQOLMS-MJBXVCDLSA-N 1 1 347.419 0.050 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1=O ZINC001022231005 758455829 /nfs/dbraw/zinc/45/58/29/758455829.db2.gz OCIDPKVJHKVGBS-KHMAMNHCSA-N 1 1 343.431 0.537 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1O ZINC001049275781 758466633 /nfs/dbraw/zinc/46/66/33/758466633.db2.gz NJWMSMUIJJHHMA-PMPSAXMXSA-N 1 1 339.480 0.961 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnon1)CC2 ZINC001107401806 758472103 /nfs/dbraw/zinc/47/21/03/758472103.db2.gz DDWIYGQXPGSLGL-YSVLISHTSA-N 1 1 332.404 0.969 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnon1)CC2 ZINC001107401806 758472106 /nfs/dbraw/zinc/47/21/06/758472106.db2.gz DDWIYGQXPGSLGL-YSVLISHTSA-N 1 1 332.404 0.969 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC)CC2 ZINC001107403186 758473957 /nfs/dbraw/zinc/47/39/57/758473957.db2.gz YRLJGAQWMUAYLZ-IIDMSEBBSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(C)C)CC2 ZINC001107404676 758482366 /nfs/dbraw/zinc/48/23/66/758482366.db2.gz IMVZNKJAZNMEFH-VQIMIIECSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncn1C)CC2 ZINC001107404942 758482487 /nfs/dbraw/zinc/48/24/87/758482487.db2.gz WYMIZXRMBPMJKM-CRAIPNDOSA-N 1 1 345.447 0.716 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncn1C)CC2 ZINC001107404942 758482493 /nfs/dbraw/zinc/48/24/93/758482493.db2.gz WYMIZXRMBPMJKM-CRAIPNDOSA-N 1 1 345.447 0.716 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC=C)CC2 ZINC001107404918 758482664 /nfs/dbraw/zinc/48/26/64/758482664.db2.gz VOLMUYXXDNCCSY-VQIMIIECSA-N 1 1 347.459 0.689 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnnn1C)CC2 ZINC001107401179 758498881 /nfs/dbraw/zinc/49/88/81/758498881.db2.gz AUSKCPCFPCIVNN-QGPMSJSTSA-N 1 1 345.447 0.714 20 30 ECEDMO CCC(=O)N[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107417774 758502073 /nfs/dbraw/zinc/50/20/73/758502073.db2.gz PUOWTNWEISEMGY-FRQCXROJSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)NC(=O)COC)CCC[C@@H]12 ZINC001107417557 758502872 /nfs/dbraw/zinc/50/28/72/758502872.db2.gz KKZDDVICUUKJCB-HDMKZQKVSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001077232331 758558222 /nfs/dbraw/zinc/55/82/22/758558222.db2.gz INNOPIWIFMUXEV-KKOKHZNYSA-N 1 1 338.326 0.070 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCC=C)C1 ZINC001049361256 758567380 /nfs/dbraw/zinc/56/73/80/758567380.db2.gz VCQYXEUGRRDLQY-ULQDDVLXSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCC=C)C1 ZINC001049361256 758567385 /nfs/dbraw/zinc/56/73/85/758567385.db2.gz VCQYXEUGRRDLQY-ULQDDVLXSA-N 1 1 347.459 0.470 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC001049372276 758583662 /nfs/dbraw/zinc/58/36/62/758583662.db2.gz KVHUNDKNNAMSDW-RDBSUJKOSA-N 1 1 332.404 0.360 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccsn3)CCC[C@@H]12 ZINC001107446469 758584218 /nfs/dbraw/zinc/58/42/18/758584218.db2.gz JNBGMNIOZCHEGH-RHSMWYFYSA-N 1 1 346.456 0.867 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(N)=O ZINC001049381169 758600320 /nfs/dbraw/zinc/60/03/20/758600320.db2.gz GUXPVQRSIIWZPD-HZPDHXFCSA-N 1 1 326.400 0.999 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001077275141 758666511 /nfs/dbraw/zinc/66/65/11/758666511.db2.gz SWGWUYSIUNJWLQ-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001077275141 758666516 /nfs/dbraw/zinc/66/65/16/758666516.db2.gz SWGWUYSIUNJWLQ-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCn2cncn2)[nH]1 ZINC001049425224 758668372 /nfs/dbraw/zinc/66/83/72/758668372.db2.gz LQDFDWHWQJNQDQ-CVEARBPZSA-N 1 1 339.403 0.857 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]c(CC)n2)nc1 ZINC001105908566 762653227 /nfs/dbraw/zinc/65/32/27/762653227.db2.gz TVCINKSHNUPXJH-CQSZACIVSA-N 1 1 339.399 0.927 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]c(CC)n2)nc1 ZINC001105908565 762653254 /nfs/dbraw/zinc/65/32/54/762653254.db2.gz TVCINKSHNUPXJH-AWEZNQCLSA-N 1 1 339.399 0.927 20 30 ECEDMO C=CCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)CCC1 ZINC001049458005 758742163 /nfs/dbraw/zinc/74/21/63/758742163.db2.gz IJHXQPLMKYKXNZ-JYJNAYRXSA-N 1 1 349.475 0.715 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001077317263 758781080 /nfs/dbraw/zinc/78/10/80/758781080.db2.gz IPHHFWFDOCLCAU-NVXWUHKLSA-N 1 1 343.427 0.947 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OC)CC2(CCOCC2)C1 ZINC001099566189 758791705 /nfs/dbraw/zinc/79/17/05/758791705.db2.gz NTWAJCJOVPQZRW-CVEARBPZSA-N 1 1 338.448 0.658 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001049504730 758818361 /nfs/dbraw/zinc/81/83/61/758818361.db2.gz INGOVUAJHMXSQA-OWCLPIDISA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(-c2cccnc2)nn1 ZINC001049509465 758829147 /nfs/dbraw/zinc/82/91/47/758829147.db2.gz UZFAJQFCQAENMF-IRXDYDNUSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H](C)COC)nn2)C1 ZINC001098669207 758848677 /nfs/dbraw/zinc/84/86/77/758848677.db2.gz KAXTULAMHGUJAO-ZBFHGGJFSA-N 1 1 333.436 0.980 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001049528069 758865157 /nfs/dbraw/zinc/86/51/57/758865157.db2.gz BQYWBMHBXMCVQQ-BBWFWOEESA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nc(OC)cc(OC)n1 ZINC001049557912 758920058 /nfs/dbraw/zinc/92/00/58/758920058.db2.gz LMUGILKTUWMEOZ-OLZOCXBDSA-N 1 1 330.388 0.806 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001049560446 758923709 /nfs/dbraw/zinc/92/37/09/758923709.db2.gz TVIHFUXEOGPJFZ-HOTGVXAUSA-N 1 1 349.475 0.408 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001049566467 758931639 /nfs/dbraw/zinc/93/16/39/758931639.db2.gz CTPVJZMZWKPOPM-NWDGAFQWSA-N 1 1 339.417 0.792 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nnc(-c2ccco2)n1 ZINC001049568343 758935353 /nfs/dbraw/zinc/93/53/53/758935353.db2.gz UUCBQSSKRFSKCJ-UONOGXRCSA-N 1 1 340.387 0.632 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049579592 758956520 /nfs/dbraw/zinc/95/65/20/758956520.db2.gz LYFJVDPQKGMJMV-KBPBESRZSA-N 1 1 330.388 0.038 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001077388250 758961725 /nfs/dbraw/zinc/96/17/25/758961725.db2.gz UBMXTVJSPPZOLV-UKRRQHHQSA-N 1 1 330.388 0.694 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC001049642937 759042965 /nfs/dbraw/zinc/04/29/65/759042965.db2.gz BQEYRIXSWLFDLV-KBPBESRZSA-N 1 1 348.447 0.816 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)c(F)c1 ZINC001049690044 759103258 /nfs/dbraw/zinc/10/32/58/759103258.db2.gz FQWPQNZTAGPGFQ-HUUCEWRRSA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)c(F)c1 ZINC001049690044 759103262 /nfs/dbraw/zinc/10/32/62/759103262.db2.gz FQWPQNZTAGPGFQ-HUUCEWRRSA-N 1 1 330.363 0.748 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)[C@@H](O)C1 ZINC001083585548 759108187 /nfs/dbraw/zinc/10/81/87/759108187.db2.gz BZRBQDGWYLBRJC-KURKYZTESA-N 1 1 328.412 0.989 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nc3ccnn3c2C)[C@@H](O)C1 ZINC001083586284 759108263 /nfs/dbraw/zinc/10/82/63/759108263.db2.gz MKBPFRKQGKOGAA-KGLIPLIRSA-N 1 1 327.388 0.144 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3csnn3)C2)nn1 ZINC001022825226 759148383 /nfs/dbraw/zinc/14/83/83/759148383.db2.gz VWOWQAYOTNDHFW-GARJFASQSA-N 1 1 333.421 0.927 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnn(C)n3)C2)nn1 ZINC001022836047 759155922 /nfs/dbraw/zinc/15/59/22/759155922.db2.gz ROFDDWKCZMBKRW-TXEJJXNPSA-N 1 1 330.396 0.033 20 30 ECEDMO O=C(NC1CN(CC#Cc2ccccc2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001030346617 762688915 /nfs/dbraw/zinc/68/89/15/762688915.db2.gz DDNADILAHUDCPO-MOPGFXCFSA-N 1 1 339.439 0.702 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001049767335 759180531 /nfs/dbraw/zinc/18/05/31/759180531.db2.gz FWYGUAISOHFXDL-CHWSQXEVSA-N 1 1 348.403 0.048 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001049769782 759183634 /nfs/dbraw/zinc/18/36/34/759183634.db2.gz QIVLXIWZYBLTLS-GJZGRUSLSA-N 1 1 346.431 0.339 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)N(C)C)nn1 ZINC001049771604 759185442 /nfs/dbraw/zinc/18/54/42/759185442.db2.gz BFMKHIOUTIEFAR-GJZGRUSLSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)N(C)C)nn1 ZINC001049771604 759185444 /nfs/dbraw/zinc/18/54/44/759185444.db2.gz BFMKHIOUTIEFAR-GJZGRUSLSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(n2cnnn2)CCOCC1 ZINC001049780791 759197291 /nfs/dbraw/zinc/19/72/91/759197291.db2.gz JJOTZTYGUVXGKB-LSDHHAIUSA-N 1 1 346.435 0.430 20 30 ECEDMO N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ncn[nH]3)C2)cc1 ZINC001022869145 759219413 /nfs/dbraw/zinc/21/94/13/759219413.db2.gz NMLIXSXXCHWHQF-BETUJISGSA-N 1 1 326.360 0.758 20 30 ECEDMO N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)cc1 ZINC001022869145 759219417 /nfs/dbraw/zinc/21/94/17/759219417.db2.gz NMLIXSXXCHWHQF-BETUJISGSA-N 1 1 326.360 0.758 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c(C)cc(C)nc1=O ZINC001049814448 759246585 /nfs/dbraw/zinc/24/65/85/759246585.db2.gz NBGUCUBSOIDKMX-CVEARBPZSA-N 1 1 328.416 0.559 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049831187 759267118 /nfs/dbraw/zinc/26/71/18/759267118.db2.gz KIYVQJVTGMXEBP-UONOGXRCSA-N 1 1 334.420 0.570 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O ZINC001049870714 759324163 /nfs/dbraw/zinc/32/41/63/759324163.db2.gz NHSQHLPIUVYQDE-HUUCEWRRSA-N 1 1 333.436 0.532 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001047631080 759347114 /nfs/dbraw/zinc/34/71/14/759347114.db2.gz HVVAPLAWLOMJTH-PMPSAXMXSA-N 1 1 337.464 0.713 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049885253 759347431 /nfs/dbraw/zinc/34/74/31/759347431.db2.gz NCJIYDIROMVLCC-QWHCGFSZSA-N 1 1 327.388 0.278 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001047634138 759359418 /nfs/dbraw/zinc/35/94/18/759359418.db2.gz XUBGMIYMGUKXAZ-ROUUACIJSA-N 1 1 343.427 0.463 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)NC)c2)C1 ZINC001047634189 759359557 /nfs/dbraw/zinc/35/95/57/759359557.db2.gz YTJTUQSDDYYACG-HOTGVXAUSA-N 1 1 331.416 0.739 20 30 ECEDMO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@H+](C[C@H](C)CC)C[C@@H]2O)CC1 ZINC001047638117 759370928 /nfs/dbraw/zinc/37/09/28/759370928.db2.gz CETSPCMZYNRBGD-NJAFHUGGSA-N 1 1 335.492 0.881 20 30 ECEDMO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)CC)C[C@@H]2O)CC1 ZINC001047638117 759370940 /nfs/dbraw/zinc/37/09/40/759370940.db2.gz CETSPCMZYNRBGD-NJAFHUGGSA-N 1 1 335.492 0.881 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OCC)cn2)C1 ZINC001047650480 759410937 /nfs/dbraw/zinc/41/09/37/759410937.db2.gz XUDBTDKFLIRTFL-GJZGRUSLSA-N 1 1 334.420 0.959 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3nncn3C1)C2 ZINC001054244579 767862060 /nfs/dbraw/zinc/86/20/60/767862060.db2.gz HIRZFYSMQLMVKO-MAUKXSAKSA-N 1 1 327.432 0.788 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)c[nH]1 ZINC001050024768 759565153 /nfs/dbraw/zinc/56/51/53/759565153.db2.gz KHDWSNAGTJVHST-XJKSGUPXSA-N 1 1 341.415 0.655 20 30 ECEDMO Cn1nncc1C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001050025133 759565171 /nfs/dbraw/zinc/56/51/71/759565171.db2.gz PSKLBOZBSZKHBC-BLLLJJGKSA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001050025133 759565174 /nfs/dbraw/zinc/56/51/74/759565174.db2.gz PSKLBOZBSZKHBC-BLLLJJGKSA-N 1 1 339.403 0.751 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1 ZINC001050078678 759665787 /nfs/dbraw/zinc/66/57/87/759665787.db2.gz RNADXZOTFURYBN-LSDHHAIUSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1 ZINC001050078678 759665793 /nfs/dbraw/zinc/66/57/93/759665793.db2.gz RNADXZOTFURYBN-LSDHHAIUSA-N 1 1 326.462 0.920 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cnc4c(c3)nnn4C)[C@@H]2C1 ZINC001050097849 759697011 /nfs/dbraw/zinc/69/70/11/759697011.db2.gz DKRICOWDUNFVSM-XJKSGUPXSA-N 1 1 338.415 0.923 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050104135 759710414 /nfs/dbraw/zinc/71/04/14/759710414.db2.gz PESHZIFVJGHOCD-OCCSQVGLSA-N 1 1 349.460 0.802 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)C2 ZINC001012333101 759736119 /nfs/dbraw/zinc/73/61/19/759736119.db2.gz QTZPPHYWXYQHIF-OCCSQVGLSA-N 1 1 329.404 0.584 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 ZINC001050138603 759782297 /nfs/dbraw/zinc/78/22/97/759782297.db2.gz LRVTZOIGZYRUCH-XUWVNRHRSA-N 1 1 333.432 0.178 20 30 ECEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2C1 ZINC001054284458 767895127 /nfs/dbraw/zinc/89/51/27/767895127.db2.gz SZIVETQWODYKSN-HNNXBMFYSA-N 1 1 342.399 0.793 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)nn1 ZINC001050160407 759825585 /nfs/dbraw/zinc/82/55/85/759825585.db2.gz ACTFOHYQLDZBRP-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)nn1 ZINC001050160407 759825594 /nfs/dbraw/zinc/82/55/94/759825594.db2.gz ACTFOHYQLDZBRP-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000348493928 759844759 /nfs/dbraw/zinc/84/47/59/759844759.db2.gz CXGMCAJFFCTXMI-MJBXVCDLSA-N 1 1 339.436 0.997 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000348493928 759844766 /nfs/dbraw/zinc/84/47/66/759844766.db2.gz CXGMCAJFFCTXMI-MJBXVCDLSA-N 1 1 339.436 0.997 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)[C@@H]2C1 ZINC001050183242 759890073 /nfs/dbraw/zinc/89/00/73/759890073.db2.gz WGJJWHWRPIYHAS-JKIFEVAISA-N 1 1 327.432 0.856 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC001050183242 759890082 /nfs/dbraw/zinc/89/00/82/759890082.db2.gz WGJJWHWRPIYHAS-JKIFEVAISA-N 1 1 327.432 0.856 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC001050183242 759890091 /nfs/dbraw/zinc/89/00/91/759890091.db2.gz WGJJWHWRPIYHAS-JKIFEVAISA-N 1 1 327.432 0.856 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC001050183242 759890100 /nfs/dbraw/zinc/89/01/00/759890100.db2.gz WGJJWHWRPIYHAS-JKIFEVAISA-N 1 1 327.432 0.856 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC001050183242 759890109 /nfs/dbraw/zinc/89/01/09/759890109.db2.gz WGJJWHWRPIYHAS-JKIFEVAISA-N 1 1 327.432 0.856 20 30 ECEDMO Cc1nc(NC/C=C/CNC(=O)[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001107093731 759898783 /nfs/dbraw/zinc/89/87/83/759898783.db2.gz MEJKYWGDJYAQNH-NHZBNJEXSA-N 1 1 329.404 0.677 20 30 ECEDMO Cc1nc(NC/C=C/CNC(=O)[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001107093731 759898794 /nfs/dbraw/zinc/89/87/94/759898794.db2.gz MEJKYWGDJYAQNH-NHZBNJEXSA-N 1 1 329.404 0.677 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050204985 759938809 /nfs/dbraw/zinc/93/88/09/759938809.db2.gz UNGQIFAUUYZAHC-RWMBFGLXSA-N 1 1 347.868 0.353 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050204985 759938813 /nfs/dbraw/zinc/93/88/13/759938813.db2.gz UNGQIFAUUYZAHC-RWMBFGLXSA-N 1 1 347.868 0.353 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001050223691 759973266 /nfs/dbraw/zinc/97/32/66/759973266.db2.gz GTWGFOLFDRHZLQ-HUUCEWRRSA-N 1 1 345.447 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccncc2)C1=O ZINC001032250278 760042601 /nfs/dbraw/zinc/04/26/01/760042601.db2.gz PQGNKILHJQNMKG-HRCADAONSA-N 1 1 326.400 0.767 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccncc2)C1=O ZINC001032250278 760042613 /nfs/dbraw/zinc/04/26/13/760042613.db2.gz PQGNKILHJQNMKG-HRCADAONSA-N 1 1 326.400 0.767 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C ZINC001050319368 760117738 /nfs/dbraw/zinc/11/77/38/760117738.db2.gz NBCLNGKOXRSALJ-YPMHNXCESA-N 1 1 325.376 0.637 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001017391378 767923102 /nfs/dbraw/zinc/92/31/02/767923102.db2.gz MNFNDVQPASUBBB-AWEZNQCLSA-N 1 1 341.415 0.727 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001012564523 760298422 /nfs/dbraw/zinc/29/84/22/760298422.db2.gz SLLKKYSNAMUZMQ-XHSDSOJGSA-N 1 1 335.448 0.733 20 30 ECEDMO COC[C@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC3CC3)C2)nn1 ZINC001098673402 760350178 /nfs/dbraw/zinc/35/01/78/760350178.db2.gz PWDUTEHAIDDBDP-XJKSGUPXSA-N 1 1 331.420 0.589 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCOCC)nn2)C1 ZINC001098673444 760374054 /nfs/dbraw/zinc/37/40/54/760374054.db2.gz QIICITVRZYUWRM-MRXNPFEDSA-N 1 1 349.435 0.218 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc[n+]([O-])cc2)C1=O ZINC001032264162 760424562 /nfs/dbraw/zinc/42/45/62/760424562.db2.gz VOTYVUUOSZUDBK-JYJNAYRXSA-N 1 1 342.399 0.006 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc[n+]([O-])cc2)C1=O ZINC001032264162 760424569 /nfs/dbraw/zinc/42/45/69/760424569.db2.gz VOTYVUUOSZUDBK-JYJNAYRXSA-N 1 1 342.399 0.006 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1cc(=O)n2c(C)csc2n1 ZINC001127045435 760438529 /nfs/dbraw/zinc/43/85/29/760438529.db2.gz BBHCDKOUAZVCPO-GFCCVEGCSA-N 1 1 348.428 0.309 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC001127046140 760455414 /nfs/dbraw/zinc/45/54/14/760455414.db2.gz MPBZYSCCTODOSC-CQSZACIVSA-N 1 1 341.415 0.726 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1c(Br)cnn1C ZINC001127051769 760486169 /nfs/dbraw/zinc/48/61/69/760486169.db2.gz MLCRJUUULKFMRB-JTQLQIEISA-N 1 1 343.225 0.427 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(Br)c2)[C@@H](O)C1 ZINC001083650416 760512173 /nfs/dbraw/zinc/51/21/73/760512173.db2.gz VOIMCMNPYVNCHN-MNOVXSKESA-N 1 1 326.194 0.575 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(Br)c2)[C@@H](O)C1 ZINC001083650416 760512178 /nfs/dbraw/zinc/51/21/78/760512178.db2.gz VOIMCMNPYVNCHN-MNOVXSKESA-N 1 1 326.194 0.575 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@@H](C)c2n[nH]c(C)n2)C1 ZINC001030024739 760630250 /nfs/dbraw/zinc/63/02/50/760630250.db2.gz RHDSQHVSLKXFFK-IMJJTQAJSA-N 1 1 344.463 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@@H](C)c2nnc(C)[nH]2)C1 ZINC001030024739 760630252 /nfs/dbraw/zinc/63/02/52/760630252.db2.gz RHDSQHVSLKXFFK-IMJJTQAJSA-N 1 1 344.463 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@@H](C)c2nnc(C)[nH]2)C1 ZINC001030024739 760630253 /nfs/dbraw/zinc/63/02/53/760630253.db2.gz RHDSQHVSLKXFFK-IMJJTQAJSA-N 1 1 344.463 0.852 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001030026435 760727756 /nfs/dbraw/zinc/72/77/56/760727756.db2.gz XEZBAULDNUGEOP-IKGGRYGDSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2csnn2)C(C)(C)C1 ZINC000995925210 760786477 /nfs/dbraw/zinc/78/64/77/760786477.db2.gz QVPVIXITGJTELP-GJZGRUSLSA-N 1 1 347.488 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2csnn2)C(C)(C)C1 ZINC000995925210 760786480 /nfs/dbraw/zinc/78/64/80/760786480.db2.gz QVPVIXITGJTELP-GJZGRUSLSA-N 1 1 347.488 0.962 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995926138 760788956 /nfs/dbraw/zinc/78/89/56/760788956.db2.gz TZFFAQWBFQTCNG-JKSUJKDBSA-N 1 1 344.463 0.239 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1ccncc1C#N ZINC001048613249 760792777 /nfs/dbraw/zinc/79/27/77/760792777.db2.gz NGVQPMCQLSPNLX-UXLLHSPISA-N 1 1 343.431 0.757 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1ccncc1C#N ZINC001048613249 760792782 /nfs/dbraw/zinc/79/27/82/760792782.db2.gz NGVQPMCQLSPNLX-UXLLHSPISA-N 1 1 343.431 0.757 20 30 ECEDMO C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001077444002 760908853 /nfs/dbraw/zinc/90/88/53/760908853.db2.gz GLMSRETZWOICHE-QZTJIDSGSA-N 1 1 329.444 0.589 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)SC)C[C@H]3C2)C1=O ZINC001048693954 760953749 /nfs/dbraw/zinc/95/37/49/760953749.db2.gz CSBIWLYAHYMIQK-APIJFGDWSA-N 1 1 337.489 0.915 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCCN1Cc1cccc(C#N)c1 ZINC001050838357 760968659 /nfs/dbraw/zinc/96/86/59/760968659.db2.gz KVKNOMVNJBMYBI-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cnns4)C[C@H]3C2)C1=O ZINC001048703268 760976036 /nfs/dbraw/zinc/97/60/36/760976036.db2.gz PVUKXVDBQBYVFS-XQQFMLRXSA-N 1 1 347.444 0.329 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001048711887 760997490 /nfs/dbraw/zinc/99/74/90/760997490.db2.gz GVEWIULXPCHSED-HOTGVXAUSA-N 1 1 346.431 0.415 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)Cc2cn3cc(F)ccc3n2)[C@@H](O)C1 ZINC001083674187 760998591 /nfs/dbraw/zinc/99/85/91/760998591.db2.gz QPMRNNZEYRADBX-CABCVRRESA-N 1 1 330.363 0.201 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cn3cc(F)ccc3n2)[C@@H](O)C1 ZINC001083673949 761003524 /nfs/dbraw/zinc/00/35/24/761003524.db2.gz GREZELFVTPLDRB-CABCVRRESA-N 1 1 332.379 0.753 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@H]2CCOC2)c1 ZINC001050864282 761032952 /nfs/dbraw/zinc/03/29/52/761032952.db2.gz AAAAAFNMPMKZIU-DZGCQCFKSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@H]2CCOC2)c1 ZINC001050864282 761032964 /nfs/dbraw/zinc/03/29/64/761032964.db2.gz AAAAAFNMPMKZIU-DZGCQCFKSA-N 1 1 332.404 0.744 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC[C@@H]3C)C[C@@H]2C1 ZINC001048727261 761053709 /nfs/dbraw/zinc/05/37/09/761053709.db2.gz INFAHRKGECSDFA-QXSJWSMHSA-N 1 1 332.448 0.937 20 30 ECEDMO CCn1ncc(C[N@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)n1 ZINC001048749822 761108501 /nfs/dbraw/zinc/10/85/01/761108501.db2.gz QLIYXWQKRMARHY-OKILXGFUSA-N 1 1 339.403 0.702 20 30 ECEDMO CCn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)n1 ZINC001048749822 761108504 /nfs/dbraw/zinc/10/85/04/761108504.db2.gz QLIYXWQKRMARHY-OKILXGFUSA-N 1 1 339.403 0.702 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nc1 ZINC000991481755 761151117 /nfs/dbraw/zinc/15/11/17/761151117.db2.gz YNDAHZBDQVWPAK-KRWDZBQOSA-N 1 1 340.427 0.876 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccn2nnnc12 ZINC001050934651 761169275 /nfs/dbraw/zinc/16/92/75/761169275.db2.gz SALUDJGWGZCLGP-CYBMUJFWSA-N 1 1 330.392 0.521 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccn2nnnc12 ZINC001050934651 761169277 /nfs/dbraw/zinc/16/92/77/761169277.db2.gz SALUDJGWGZCLGP-CYBMUJFWSA-N 1 1 330.392 0.521 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](O)C2)C1 ZINC000991491999 761194829 /nfs/dbraw/zinc/19/48/29/761194829.db2.gz YZNSKLCRHHWHOQ-HUUCEWRRSA-N 1 1 346.431 0.626 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001050949327 761197688 /nfs/dbraw/zinc/19/76/88/761197688.db2.gz DYEGBHNEEXAEBA-LSDHHAIUSA-N 1 1 325.453 0.882 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)C1=O ZINC001030031618 761204433 /nfs/dbraw/zinc/20/44/33/761204433.db2.gz IXXQZJIJIHXSFU-ZNMIVQPWSA-N 1 1 348.447 0.023 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)C1=O ZINC001030031618 761204435 /nfs/dbraw/zinc/20/44/35/761204435.db2.gz IXXQZJIJIHXSFU-ZNMIVQPWSA-N 1 1 348.447 0.023 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1c1cnc(C#N)cn1 ZINC001051027116 761359292 /nfs/dbraw/zinc/35/92/92/761359292.db2.gz LCQWEUBOWVASPC-GUTXKFCHSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001051088073 761468029 /nfs/dbraw/zinc/46/80/29/761468029.db2.gz YDDHTTQRKGBFAQ-WBVHZDCISA-N 1 1 330.432 0.594 20 30 ECEDMO C=CCN1CCOC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001051111240 761509808 /nfs/dbraw/zinc/50/98/08/761509808.db2.gz OPFZEWWPCOFGSR-CQSZACIVSA-N 1 1 334.420 0.887 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001051207946 761690199 /nfs/dbraw/zinc/69/01/99/761690199.db2.gz ZEGPUXKSYMKOBS-JKSUJKDBSA-N 1 1 346.431 0.585 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1c1cncc(C#N)n1 ZINC001051231153 761727471 /nfs/dbraw/zinc/72/74/71/761727471.db2.gz UORBHKDBZINQQM-VHDGCEQUSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)c3cc(=O)n(C)cn3)cccc2C1 ZINC001051290179 761834933 /nfs/dbraw/zinc/83/49/33/761834933.db2.gz HGELDJZMWAEKOX-UHFFFAOYSA-N 1 1 336.395 0.702 20 30 ECEDMO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CN(C)C(=O)N3)cccc2C1 ZINC001051296930 761846620 /nfs/dbraw/zinc/84/66/20/761846620.db2.gz FCZOCUSUUCPGHL-KRWDZBQOSA-N 1 1 340.427 0.708 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3cn(C)nn3)C2)cc1 ZINC001051747420 762862782 /nfs/dbraw/zinc/86/27/82/762862782.db2.gz MSBGMMKZBXQKCG-QGZVFWFLSA-N 1 1 339.399 0.427 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051752525 762879557 /nfs/dbraw/zinc/87/95/57/762879557.db2.gz LMSQGJSXWVHZCE-CQSZACIVSA-N 1 1 348.451 0.927 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC1=O ZINC001014613078 762902286 /nfs/dbraw/zinc/90/22/86/762902286.db2.gz AZQQDROXYKUGTL-NEPJUHHUSA-N 1 1 332.429 0.789 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1=O ZINC001014613078 762902292 /nfs/dbraw/zinc/90/22/92/762902292.db2.gz AZQQDROXYKUGTL-NEPJUHHUSA-N 1 1 332.429 0.789 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cnn(C)c3C)C2)C1=O ZINC001014677710 762985418 /nfs/dbraw/zinc/98/54/18/762985418.db2.gz JFLXNNLBYBTLDO-CVEARBPZSA-N 1 1 345.447 0.248 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cnn(C)c3C)C2)C1=O ZINC001014677710 762985423 /nfs/dbraw/zinc/98/54/23/762985423.db2.gz JFLXNNLBYBTLDO-CVEARBPZSA-N 1 1 345.447 0.248 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC001046779052 763112721 /nfs/dbraw/zinc/11/27/21/763112721.db2.gz OJRCXDJYWQOCNS-QAPCUYQASA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC001046779052 763112726 /nfs/dbraw/zinc/11/27/26/763112726.db2.gz OJRCXDJYWQOCNS-QAPCUYQASA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC001046779051 763112993 /nfs/dbraw/zinc/11/29/93/763112993.db2.gz OJRCXDJYWQOCNS-MAUKXSAKSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC001046779051 763112994 /nfs/dbraw/zinc/11/29/94/763112994.db2.gz OJRCXDJYWQOCNS-MAUKXSAKSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(C)s2)C1 ZINC001014770392 763127045 /nfs/dbraw/zinc/12/70/45/763127045.db2.gz PLUXCTWLACVCBA-KGLIPLIRSA-N 1 1 333.461 0.635 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(C)s2)C1 ZINC001014770392 763127051 /nfs/dbraw/zinc/12/70/51/763127051.db2.gz PLUXCTWLACVCBA-KGLIPLIRSA-N 1 1 333.461 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccnc(OC)n2)C1 ZINC001014770552 763127272 /nfs/dbraw/zinc/12/72/72/763127272.db2.gz RWAAKCNGMGTUHA-HOTGVXAUSA-N 1 1 343.431 0.273 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccnc(OC)n2)C1 ZINC001014770552 763127279 /nfs/dbraw/zinc/12/72/79/763127279.db2.gz RWAAKCNGMGTUHA-HOTGVXAUSA-N 1 1 343.431 0.273 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038594010 763158501 /nfs/dbraw/zinc/15/85/01/763158501.db2.gz UVTMMVAJZMARQV-CVEARBPZSA-N 1 1 326.400 0.870 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038594010 763158508 /nfs/dbraw/zinc/15/85/08/763158508.db2.gz UVTMMVAJZMARQV-CVEARBPZSA-N 1 1 326.400 0.870 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCNC(=O)C1 ZINC001089850878 763172413 /nfs/dbraw/zinc/17/24/13/763172413.db2.gz QYEOBWSDMAEYDW-HZMVEIRTSA-N 1 1 346.475 0.163 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ncccc3C#N)C2)C1 ZINC001051879308 763190684 /nfs/dbraw/zinc/19/06/84/763190684.db2.gz VNWZCJKWYZZZKZ-ZALBZXLWSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ncccc3C#N)C2)C1 ZINC001051879308 763190694 /nfs/dbraw/zinc/19/06/94/763190694.db2.gz VNWZCJKWYZZZKZ-ZALBZXLWSA-N 1 1 329.404 0.591 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccnc(C)n3)C2)nn1 ZINC001098784368 768116365 /nfs/dbraw/zinc/11/63/65/768116365.db2.gz DNIMJTVLEOLYLE-CQSZACIVSA-N 1 1 327.392 0.739 20 30 ECEDMO N#Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3ncn[nH]3)CCO2)c1 ZINC001051896972 763258011 /nfs/dbraw/zinc/25/80/11/763258011.db2.gz QHDQDVAPEDBCBW-OAHLLOKOSA-N 1 1 340.387 0.236 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nonc3C)C2)C1=O ZINC001046876898 763284777 /nfs/dbraw/zinc/28/47/77/763284777.db2.gz KPVDGMXQAGJWBH-BLLLJJGKSA-N 1 1 333.392 0.359 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3nonc3C)C2)C1=O ZINC001046876898 763284785 /nfs/dbraw/zinc/28/47/85/763284785.db2.gz KPVDGMXQAGJWBH-BLLLJJGKSA-N 1 1 333.392 0.359 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC000993136836 768129307 /nfs/dbraw/zinc/12/93/07/768129307.db2.gz QRYUAHYMTRAJQE-RLFYNMQTSA-N 1 1 348.447 0.175 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)s1 ZINC001031896199 763415159 /nfs/dbraw/zinc/41/51/59/763415159.db2.gz DOKWFWYRIXLBFV-KBPBESRZSA-N 1 1 332.429 0.679 20 30 ECEDMO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031897682 763439911 /nfs/dbraw/zinc/43/99/11/763439911.db2.gz VNMCSXKGPJTXSC-SJORKVTESA-N 1 1 325.412 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)C(=O)N2CCCCC2)C1 ZINC001030463221 763443963 /nfs/dbraw/zinc/44/39/63/763443963.db2.gz GNSHFNIPVYZLJS-WBVHZDCISA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)C(=O)N2CCCCC2)C1 ZINC001030463221 763443966 /nfs/dbraw/zinc/44/39/66/763443966.db2.gz GNSHFNIPVYZLJS-WBVHZDCISA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC001046953112 763452007 /nfs/dbraw/zinc/45/20/07/763452007.db2.gz AMUDKLAVMQXPSR-LBPRGKRZSA-N 1 1 338.358 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC001046953112 763452013 /nfs/dbraw/zinc/45/20/13/763452013.db2.gz AMUDKLAVMQXPSR-LBPRGKRZSA-N 1 1 338.358 0.986 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001046953129 763452392 /nfs/dbraw/zinc/45/23/92/763452392.db2.gz GBQSWZRCIDBSCO-LBPRGKRZSA-N 1 1 338.358 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001046953129 763452398 /nfs/dbraw/zinc/45/23/98/763452398.db2.gz GBQSWZRCIDBSCO-LBPRGKRZSA-N 1 1 338.358 0.734 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001046953850 763453147 /nfs/dbraw/zinc/45/31/47/763453147.db2.gz LXZHBWHOBYGEIC-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001046953850 763453154 /nfs/dbraw/zinc/45/31/54/763453154.db2.gz LXZHBWHOBYGEIC-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001046956440 763460349 /nfs/dbraw/zinc/46/03/49/763460349.db2.gz VKWRMHAAGQDECZ-GJZGRUSLSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001046956440 763460355 /nfs/dbraw/zinc/46/03/55/763460355.db2.gz VKWRMHAAGQDECZ-GJZGRUSLSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001046960693 763467473 /nfs/dbraw/zinc/46/74/73/763467473.db2.gz BMQYKHPUFLGCEF-ZDUSSCGKSA-N 1 1 348.357 0.835 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001046961370 763468991 /nfs/dbraw/zinc/46/89/91/763468991.db2.gz WHOBAGBYGOFWHC-ZIAGYGMSSA-N 1 1 341.402 0.999 20 30 ECEDMO C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001046964397 763475428 /nfs/dbraw/zinc/47/54/28/763475428.db2.gz RLRRMMPGHDZIGK-LLVKDONJSA-N 1 1 328.367 0.863 20 30 ECEDMO N#Cc1cnc(NC[C@H](O)CNC(=O)[C@H]2CCCc3[nH+]ccn32)cn1 ZINC001105994795 763477259 /nfs/dbraw/zinc/47/72/59/763477259.db2.gz HIFIWXFUTALSFX-QWHCGFSZSA-N 1 1 341.375 0.011 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001046974031 763494717 /nfs/dbraw/zinc/49/47/17/763494717.db2.gz CMBUHZLTRAOQRK-LLVKDONJSA-N 1 1 338.358 0.824 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)O)CCC2(F)F)nn1 ZINC001046978103 763498526 /nfs/dbraw/zinc/49/85/26/763498526.db2.gz PJUFXXADCRVJQO-NWDGAFQWSA-N 1 1 343.378 0.532 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001046979073 763500903 /nfs/dbraw/zinc/50/09/03/763500903.db2.gz UFLNFGIKUGAUPG-MNOVXSKESA-N 1 1 344.362 0.234 20 30 ECEDMO Cc1cc(C#N)nc(NCCOCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001127319961 768139327 /nfs/dbraw/zinc/13/93/27/768139327.db2.gz HQXXUHYNWJSXIJ-CQSZACIVSA-N 1 1 346.435 0.495 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001040927463 763509864 /nfs/dbraw/zinc/50/98/64/763509864.db2.gz RKHCTSMFDVJJCH-YJBOKZPZSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001046989575 763521685 /nfs/dbraw/zinc/52/16/85/763521685.db2.gz BMNWAHGYJZOHEW-KGLIPLIRSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001046989575 763521689 /nfs/dbraw/zinc/52/16/89/763521689.db2.gz BMNWAHGYJZOHEW-KGLIPLIRSA-N 1 1 327.375 0.561 20 30 ECEDMO CN1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)C1=O ZINC001031910202 763525058 /nfs/dbraw/zinc/52/50/58/763525058.db2.gz IZVYVVNITHGKTO-QGZVFWFLSA-N 1 1 325.412 0.564 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001046995250 763534928 /nfs/dbraw/zinc/53/49/28/763534928.db2.gz OIKBSRRCKFQEKU-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)C1 ZINC001046996255 763538171 /nfs/dbraw/zinc/53/81/71/763538171.db2.gz NWFFCEODBOKYQY-QWHCGFSZSA-N 1 1 330.379 0.304 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)C1 ZINC001046996255 763538176 /nfs/dbraw/zinc/53/81/76/763538176.db2.gz NWFFCEODBOKYQY-QWHCGFSZSA-N 1 1 330.379 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001046997656 763538993 /nfs/dbraw/zinc/53/89/93/763538993.db2.gz CFFGAJCBNPNFQJ-GFCCVEGCSA-N 1 1 336.342 0.501 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001046997656 763538999 /nfs/dbraw/zinc/53/89/99/763538999.db2.gz CFFGAJCBNPNFQJ-GFCCVEGCSA-N 1 1 336.342 0.501 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccnc(-n3cccn3)c2)[C@@H](O)C1 ZINC001083770111 763560650 /nfs/dbraw/zinc/56/06/50/763560650.db2.gz UIUAZNCLMQYACT-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccncc2C#N)C1 ZINC001047022924 763563178 /nfs/dbraw/zinc/56/31/78/763563178.db2.gz IOWXDFJFHSBEHB-RRCSTGOVSA-N 1 1 327.432 0.880 20 30 ECEDMO C=CCC[NH+]1CCN([C@H]2CCN(C(=O)CCc3nc[nH]n3)C2)CC1 ZINC001052005419 763569861 /nfs/dbraw/zinc/56/98/61/763569861.db2.gz AQCPAMLPRXWDOS-HNNXBMFYSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCN1CC[C@@H](NCCNC(=O)C(C)(C)[NH+]2CCCCC2)C1=O ZINC001127321636 768145257 /nfs/dbraw/zinc/14/52/57/768145257.db2.gz AWGPNDJVXPBWGP-OAHLLOKOSA-N 1 1 336.480 0.744 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)CC1 ZINC001052017527 763594562 /nfs/dbraw/zinc/59/45/62/763594562.db2.gz MJJMCKBJUFDEPD-HZPDHXFCSA-N 1 1 330.436 0.081 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)CC1 ZINC001052027533 763622024 /nfs/dbraw/zinc/62/20/24/763622024.db2.gz GYSWEAZHOYLZGJ-JKSUJKDBSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031782 763633522 /nfs/dbraw/zinc/63/35/22/763633522.db2.gz WRCZPLKKXKYDPP-OKZBNKHCSA-N 1 1 332.492 0.568 20 30 ECEDMO Cn1ccc(CCC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052035494 763642118 /nfs/dbraw/zinc/64/21/18/763642118.db2.gz KLEDANOITHJGEZ-INIZCTEOSA-N 1 1 330.436 0.095 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)[nH]nc3Cl)C2)CC1 ZINC001052035566 763643695 /nfs/dbraw/zinc/64/36/95/763643695.db2.gz DSEDNYAPRKTDJY-ZDUSSCGKSA-N 1 1 335.839 0.837 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccn(C)n3)C2)CC1 ZINC001052035807 763644747 /nfs/dbraw/zinc/64/47/47/763644747.db2.gz QKWBVDKQFFJRBC-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(F)CCOCC3)C2)CC1 ZINC001052036919 763652426 /nfs/dbraw/zinc/65/24/26/763652426.db2.gz YBXFWZXBHBJOPV-OAHLLOKOSA-N 1 1 325.428 0.910 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001212185231 763656888 /nfs/dbraw/zinc/65/68/88/763656888.db2.gz PZKKCSLSZRRBHL-BRWVUGGUSA-N 1 1 338.448 0.801 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052040723 763663691 /nfs/dbraw/zinc/66/36/91/763663691.db2.gz GEMQNHGMXQWYAB-IAGOWNOFSA-N 1 1 333.480 0.603 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C2)CC1 ZINC001052041842 763669796 /nfs/dbraw/zinc/66/97/96/763669796.db2.gz SWOKJIWDVJLQSS-KRWDZBQOSA-N 1 1 343.475 0.756 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C2)CC1 ZINC001052042984 763673678 /nfs/dbraw/zinc/67/36/78/763673678.db2.gz MBFSMDITHPGANH-HNNXBMFYSA-N 1 1 345.447 0.431 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001052043491 763674548 /nfs/dbraw/zinc/67/45/48/763674548.db2.gz ACKHFJUSWBZWCY-ZIAGYGMSSA-N 1 1 340.493 0.796 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001052043490 763674867 /nfs/dbraw/zinc/67/48/67/763674867.db2.gz ACKHFJUSWBZWCY-UONOGXRCSA-N 1 1 340.493 0.796 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)Nc1ccnc(C#N)n1 ZINC001099218666 768153128 /nfs/dbraw/zinc/15/31/28/768153128.db2.gz KZELRQRUDIGWJR-KBPBESRZSA-N 1 1 330.436 0.951 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106011122 763691828 /nfs/dbraw/zinc/69/18/28/763691828.db2.gz KRLAAOWMMAKLBR-GFCCVEGCSA-N 1 1 337.399 0.712 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C2)CC1 ZINC001052048320 763695484 /nfs/dbraw/zinc/69/54/84/763695484.db2.gz QFFHKYLHJQDCPD-OAHLLOKOSA-N 1 1 341.459 0.754 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]nc3CC)C2)CC1 ZINC001052048327 763695521 /nfs/dbraw/zinc/69/55/21/763695521.db2.gz QLGHGLHTEREGMK-HNNXBMFYSA-N 1 1 329.448 0.828 20 30 ECEDMO Cc1cc(C)n(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052049536 763702322 /nfs/dbraw/zinc/70/23/22/763702322.db2.gz NHNOEXYYXPJJLE-INIZCTEOSA-N 1 1 330.436 0.242 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052474 763715348 /nfs/dbraw/zinc/71/53/48/763715348.db2.gz NJDTZXBLQJVZEG-MRXNPFEDSA-N 1 1 328.420 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001120450378 763716674 /nfs/dbraw/zinc/71/66/74/763716674.db2.gz VMEPQDHVWZIRRK-LSDHHAIUSA-N 1 1 341.477 0.214 20 30 ECEDMO CC1(C)CO[C@H](CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052052742 763717258 /nfs/dbraw/zinc/71/72/58/763717258.db2.gz WFBSTZXLGQSNMC-JKSUJKDBSA-N 1 1 334.464 0.934 20 30 ECEDMO Cc1cncc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052054702 763720840 /nfs/dbraw/zinc/72/08/40/763720840.db2.gz AOZXUGUTMYUMIJ-QGZVFWFLSA-N 1 1 327.432 0.675 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)CC1 ZINC001052060316 763740352 /nfs/dbraw/zinc/74/03/52/763740352.db2.gz CABNJRILQBTGSU-OAHLLOKOSA-N 1 1 332.452 0.911 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3cnnn3C)CC2)C1 ZINC001052062153 763745858 /nfs/dbraw/zinc/74/58/58/763745858.db2.gz FFEUEVDKYZCOBN-OAHLLOKOSA-N 1 1 346.479 0.746 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052069263 763764104 /nfs/dbraw/zinc/76/41/04/763764104.db2.gz VZCBXDMJUUEPRJ-CABCVRRESA-N 1 1 344.463 0.629 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052069263 763764112 /nfs/dbraw/zinc/76/41/12/763764112.db2.gz VZCBXDMJUUEPRJ-CABCVRRESA-N 1 1 344.463 0.629 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)c3cncnc3)C2)CC1 ZINC001052071750 763773174 /nfs/dbraw/zinc/77/31/74/763773174.db2.gz YRYLUALYKTWUSK-WMZOPIPTSA-N 1 1 341.459 0.822 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3nnn(CC)c3CC)C2)CC1 ZINC001052081192 763797378 /nfs/dbraw/zinc/79/73/78/763797378.db2.gz KRJANUIVOGLYCY-HNNXBMFYSA-N 1 1 346.479 0.879 20 30 ECEDMO COc1cc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)ccn1 ZINC001052083116 763804570 /nfs/dbraw/zinc/80/45/70/763804570.db2.gz JNDQTKWBEFVCMD-MRXNPFEDSA-N 1 1 343.431 0.375 20 30 ECEDMO C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)n1ccnc1 ZINC001052087750 763820163 /nfs/dbraw/zinc/82/01/63/763820163.db2.gz BMPPNRJWLHWSOK-JKSUJKDBSA-N 1 1 330.436 0.576 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN3CCCNC3=O)C2)s1 ZINC001015080765 763835455 /nfs/dbraw/zinc/83/54/55/763835455.db2.gz JKOIBURDUVZOEO-LBPRGKRZSA-N 1 1 347.444 0.726 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCCNC3=O)C2)s1 ZINC001015080765 763835465 /nfs/dbraw/zinc/83/54/65/763835465.db2.gz JKOIBURDUVZOEO-LBPRGKRZSA-N 1 1 347.444 0.726 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccn(C(C)C)n3)C2)CC1 ZINC001052094452 763839807 /nfs/dbraw/zinc/83/98/07/763839807.db2.gz SZGKVQHJGKEKRA-INIZCTEOSA-N 1 1 329.448 0.929 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ncccn3)C2)CC1 ZINC001052099501 763857287 /nfs/dbraw/zinc/85/72/87/763857287.db2.gz KSKLNGGJJMKLGY-QGZVFWFLSA-N 1 1 341.459 0.651 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(C)nc3C)C2)CC1 ZINC001052100012 763860549 /nfs/dbraw/zinc/86/05/49/763860549.db2.gz XCFLQSPRDAXPIS-QGZVFWFLSA-N 1 1 341.459 0.949 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052104934 763874482 /nfs/dbraw/zinc/87/44/82/763874482.db2.gz BNVOPSKSXOZRRD-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052104934 763874490 /nfs/dbraw/zinc/87/44/90/763874490.db2.gz BNVOPSKSXOZRRD-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106406 763881486 /nfs/dbraw/zinc/88/14/86/763881486.db2.gz KIDCCJXLDWHTIL-DOTOQJQBSA-N 1 1 341.459 0.366 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C2)CC1 ZINC001052106971 763883960 /nfs/dbraw/zinc/88/39/60/763883960.db2.gz YHEXDTLZVQGFME-HNNXBMFYSA-N 1 1 343.475 0.927 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106344907 768173364 /nfs/dbraw/zinc/17/33/64/768173364.db2.gz RXUMGJGSVHHQHH-GXTWGEPZSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106344907 768173369 /nfs/dbraw/zinc/17/33/69/768173369.db2.gz RXUMGJGSVHHQHH-GXTWGEPZSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106344910 768173448 /nfs/dbraw/zinc/17/34/48/768173448.db2.gz RXUMGJGSVHHQHH-TZMCWYRMSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106344910 768173452 /nfs/dbraw/zinc/17/34/52/768173452.db2.gz RXUMGJGSVHHQHH-TZMCWYRMSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccncc2C#N)C1 ZINC001106344920 768173685 /nfs/dbraw/zinc/17/36/85/768173685.db2.gz SETCKDZPSQNPGI-XJKSGUPXSA-N 1 1 331.420 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccncc2C#N)C1 ZINC001106344920 768173691 /nfs/dbraw/zinc/17/36/91/768173691.db2.gz SETCKDZPSQNPGI-XJKSGUPXSA-N 1 1 331.420 0.403 20 30 ECEDMO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047295133 763910087 /nfs/dbraw/zinc/91/00/87/763910087.db2.gz HUGMEGBEPHRGIC-ULQDDVLXSA-N 1 1 329.400 0.741 20 30 ECEDMO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047295133 763910096 /nfs/dbraw/zinc/91/00/96/763910096.db2.gz HUGMEGBEPHRGIC-ULQDDVLXSA-N 1 1 329.400 0.741 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113569 763913781 /nfs/dbraw/zinc/91/37/81/763913781.db2.gz ZLVAFMLONAUTJB-JKSUJKDBSA-N 1 1 347.463 0.177 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C2)CC1 ZINC001052114126 763915219 /nfs/dbraw/zinc/91/52/19/763915219.db2.gz HEMLPPZZLHPGDH-AWEZNQCLSA-N 1 1 347.419 0.326 20 30 ECEDMO CN(C(=O)Cn1cccn1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047302731 763930917 /nfs/dbraw/zinc/93/09/17/763930917.db2.gz PCFGJPBKPXKNAM-IRXDYDNUSA-N 1 1 339.399 0.458 20 30 ECEDMO CN(C(=O)Cn1cccn1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047302731 763930924 /nfs/dbraw/zinc/93/09/24/763930924.db2.gz PCFGJPBKPXKNAM-IRXDYDNUSA-N 1 1 339.399 0.458 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc(C)n3)C2)CC1 ZINC001052119709 763936582 /nfs/dbraw/zinc/93/65/82/763936582.db2.gz UUVYDAZAJVUPNZ-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031980215 763942691 /nfs/dbraw/zinc/94/26/91/763942691.db2.gz WJSBOJMCFJEGDR-ZWKOTPCHSA-N 1 1 339.439 0.810 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC(Nc3ncccc3C#N)C2)O1 ZINC001052124379 763952913 /nfs/dbraw/zinc/95/29/13/763952913.db2.gz LICPEOQYQLZERE-FKFRUQKQSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC(Nc3ncccc3C#N)C2)O1 ZINC001052124379 763952921 /nfs/dbraw/zinc/95/29/21/763952921.db2.gz LICPEOQYQLZERE-FKFRUQKQSA-N 1 1 343.431 0.979 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cn(C)nn3)C2)CC1 ZINC001052125504 763953333 /nfs/dbraw/zinc/95/33/33/763953333.db2.gz UEEXGFVFNFNKLC-MRXNPFEDSA-N 1 1 332.452 0.152 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cn(C)nn3)C2)CC1 ZINC001052125504 763953339 /nfs/dbraw/zinc/95/33/39/763953339.db2.gz UEEXGFVFNFNKLC-MRXNPFEDSA-N 1 1 332.452 0.152 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(CC)n(C)n3)C2)CC1 ZINC001052125386 763953406 /nfs/dbraw/zinc/95/34/06/763953406.db2.gz QNVJQPASGFGTPS-QGZVFWFLSA-N 1 1 343.475 0.838 20 30 ECEDMO CN(C(=O)[C@H]1CCCOC1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047318657 763981245 /nfs/dbraw/zinc/98/12/45/763981245.db2.gz XXVVTZJXBAZPDL-BZSNNMDCSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)[C@H]1CCCOC1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047318657 763981253 /nfs/dbraw/zinc/98/12/53/763981253.db2.gz XXVVTZJXBAZPDL-BZSNNMDCSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001047354036 764091237 /nfs/dbraw/zinc/09/12/37/764091237.db2.gz SHKWTUDPPFYQLN-IKGGRYGDSA-N 1 1 346.431 0.963 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001047354129 764091394 /nfs/dbraw/zinc/09/13/94/764091394.db2.gz RQGYHCFCKNCCSC-KCXAZCMYSA-N 1 1 332.404 0.430 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3cncc(C#N)n3)C[C@@]2(C)C1 ZINC001052234713 764106061 /nfs/dbraw/zinc/10/60/61/764106061.db2.gz VYNUPYGYVQOJQN-SIIHOXLZSA-N 1 1 340.431 0.727 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)Cc3ccoc3)C2)C1=O ZINC001047358443 764106097 /nfs/dbraw/zinc/10/60/97/764106097.db2.gz XAQYYKTXXNGBGW-JYJNAYRXSA-N 1 1 347.415 0.113 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)Cc3ccoc3)C2)C1=O ZINC001047358443 764106100 /nfs/dbraw/zinc/10/61/00/764106100.db2.gz XAQYYKTXXNGBGW-JYJNAYRXSA-N 1 1 347.415 0.113 20 30 ECEDMO CN(C(=O)c1cn(C)nn1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047367089 764130642 /nfs/dbraw/zinc/13/06/42/764130642.db2.gz FATFBTJNYOPCFU-HOTGVXAUSA-N 1 1 340.387 0.004 20 30 ECEDMO CN(C(=O)c1cn(C)nn1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047367089 764130645 /nfs/dbraw/zinc/13/06/45/764130645.db2.gz FATFBTJNYOPCFU-HOTGVXAUSA-N 1 1 340.387 0.004 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc(=O)n1C ZINC001089865770 764151565 /nfs/dbraw/zinc/15/15/65/764151565.db2.gz UBGZUIPONKTUPA-JONQDZQNSA-N 1 1 325.412 0.801 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001047379573 764165655 /nfs/dbraw/zinc/16/56/55/764165655.db2.gz GOFRCNMZKQJYPB-AVGNSLFASA-N 1 1 337.445 0.991 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001047379573 764165659 /nfs/dbraw/zinc/16/56/59/764165659.db2.gz GOFRCNMZKQJYPB-AVGNSLFASA-N 1 1 337.445 0.991 20 30 ECEDMO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC001052284289 764192055 /nfs/dbraw/zinc/19/20/55/764192055.db2.gz AXIAWIFUOYWGJK-CYBMUJFWSA-N 1 1 327.392 0.799 20 30 ECEDMO Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC001052284289 764192057 /nfs/dbraw/zinc/19/20/57/764192057.db2.gz AXIAWIFUOYWGJK-CYBMUJFWSA-N 1 1 327.392 0.799 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001047392496 764196853 /nfs/dbraw/zinc/19/68/53/764196853.db2.gz LNULCPREYAYPNL-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)c1 ZINC001052289229 764200286 /nfs/dbraw/zinc/20/02/86/764200286.db2.gz VRWOVNRUSBYTAU-UKRRQHHQSA-N 1 1 329.404 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cnccn2)C1 ZINC000991880267 764230521 /nfs/dbraw/zinc/23/05/21/764230521.db2.gz WOVKHVVTNYAACF-XUJLQICISA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cnccn2)C1 ZINC000991880267 764230529 /nfs/dbraw/zinc/23/05/29/764230529.db2.gz WOVKHVVTNYAACF-XUJLQICISA-N 1 1 341.415 0.199 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cn[nH]n1 ZINC001089868227 764238825 /nfs/dbraw/zinc/23/88/25/764238825.db2.gz OULVSYBKPNUGOU-SVGFKBNWSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]nn1 ZINC001089868227 764238829 /nfs/dbraw/zinc/23/88/29/764238829.db2.gz OULVSYBKPNUGOU-SVGFKBNWSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]nn1 ZINC001089868227 764238835 /nfs/dbraw/zinc/23/88/35/764238835.db2.gz OULVSYBKPNUGOU-SVGFKBNWSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn[nH]1 ZINC001089868227 764238842 /nfs/dbraw/zinc/23/88/42/764238842.db2.gz OULVSYBKPNUGOU-SVGFKBNWSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn[nH]1 ZINC001089868227 764238845 /nfs/dbraw/zinc/23/88/45/764238845.db2.gz OULVSYBKPNUGOU-SVGFKBNWSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2COCCO2)C1 ZINC000995261196 764242899 /nfs/dbraw/zinc/24/28/99/764242899.db2.gz SQUOIAGICQTLNW-ROUUACIJSA-N 1 1 343.427 0.781 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc(C3CC3)nn2)C1 ZINC001047406746 764245984 /nfs/dbraw/zinc/24/59/84/764245984.db2.gz OLFWYGZLLFFAOS-HOTGVXAUSA-N 1 1 333.436 0.625 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083778264 764248017 /nfs/dbraw/zinc/24/80/17/764248017.db2.gz GYMJDSNQNNZRQL-WQVCFCJDSA-N 1 1 348.472 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(Cl)cnn2C)C1 ZINC000991882520 764256626 /nfs/dbraw/zinc/25/66/26/764256626.db2.gz MJCCGIMXTYXJFH-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(Cl)cnn2C)C1 ZINC000991882520 764256633 /nfs/dbraw/zinc/25/66/33/764256633.db2.gz MJCCGIMXTYXJFH-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001047410496 764260281 /nfs/dbraw/zinc/26/02/81/764260281.db2.gz KXDNUGDPJRCFGN-ULQDDVLXSA-N 1 1 341.411 0.040 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)c2cnn(C)n2)C1 ZINC000995268101 764267109 /nfs/dbraw/zinc/26/71/09/764267109.db2.gz NDEFIQIVRJRDHM-INIZCTEOSA-N 1 1 338.415 0.808 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cncnc3)CC2)C1=O ZINC001052332727 764278775 /nfs/dbraw/zinc/27/87/75/764278775.db2.gz YELGRGNJZFLIKF-JKSUJKDBSA-N 1 1 343.431 0.848 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC001032043562 764278905 /nfs/dbraw/zinc/27/89/05/764278905.db2.gz HYNHIMJANXNPTM-RCBQFDQVSA-N 1 1 335.448 0.683 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001060394331 764280171 /nfs/dbraw/zinc/28/01/71/764280171.db2.gz BKAQZQGVSMBQCM-INIZCTEOSA-N 1 1 337.464 0.723 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCO[C@H]3C(=C)C)C2)C1=O ZINC001032048096 764308329 /nfs/dbraw/zinc/30/83/29/764308329.db2.gz UOQDJDDWOFDAQO-BBWFWOEESA-N 1 1 347.459 0.803 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001047425938 764309277 /nfs/dbraw/zinc/30/92/77/764309277.db2.gz QAYYICAQPMDKSZ-SZMVWBNQSA-N 1 1 327.428 0.650 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001047425938 764309282 /nfs/dbraw/zinc/30/92/82/764309282.db2.gz QAYYICAQPMDKSZ-SZMVWBNQSA-N 1 1 327.428 0.650 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3cc(C)ccc3n2)C1 ZINC001047427683 764312844 /nfs/dbraw/zinc/31/28/44/764312844.db2.gz BDDWHIWVDWIUHU-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3cc(C)ccc3n2)C1 ZINC001047427683 764312850 /nfs/dbraw/zinc/31/28/50/764312850.db2.gz BDDWHIWVDWIUHU-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001047429112 764319031 /nfs/dbraw/zinc/31/90/31/764319031.db2.gz XXSWKCLUOJUGMO-HOTGVXAUSA-N 1 1 327.388 0.109 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001047439888 764350400 /nfs/dbraw/zinc/35/04/00/764350400.db2.gz WFHPBISSXSVBMI-STQMWFEESA-N 1 1 346.391 0.013 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)ncn3)[C@@H]2C)nn1 ZINC001088906600 764419722 /nfs/dbraw/zinc/41/97/22/764419722.db2.gz DBSBMQQVTUKSFB-HIFRSBDPSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)ncn3)[C@@H]2C)nn1 ZINC001088906600 764419725 /nfs/dbraw/zinc/41/97/25/764419725.db2.gz DBSBMQQVTUKSFB-HIFRSBDPSA-N 1 1 341.419 0.955 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)CC1 ZINC001052412394 764434185 /nfs/dbraw/zinc/43/41/85/764434185.db2.gz UYJGEZGLQWJVJF-CQSZACIVSA-N 1 1 332.452 0.965 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)ccnc2OCC)C1 ZINC001047470719 764435009 /nfs/dbraw/zinc/43/50/09/764435009.db2.gz WPGLSCZKCAEULR-GJZGRUSLSA-N 1 1 331.416 0.929 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001047479359 764464597 /nfs/dbraw/zinc/46/45/97/764464597.db2.gz KYDCXSJBRCXBSX-STQMWFEESA-N 1 1 332.404 0.364 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001047479359 764464600 /nfs/dbraw/zinc/46/46/00/764464600.db2.gz KYDCXSJBRCXBSX-STQMWFEESA-N 1 1 332.404 0.364 20 30 ECEDMO C[C@@H](CCNc1ccc(C#N)cn1)NC(=O)CC[NH+]1CCOCC1 ZINC001106383234 768229403 /nfs/dbraw/zinc/22/94/03/768229403.db2.gz OONWBGZDZHMJDA-AWEZNQCLSA-N 1 1 331.420 0.982 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089874419 764587422 /nfs/dbraw/zinc/58/74/22/764587422.db2.gz HDDZTSWXMRRXAU-HNKHHVNMSA-N 1 1 345.443 0.784 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001047531317 764612319 /nfs/dbraw/zinc/61/23/19/764612319.db2.gz MTFMLFSGNFGKDK-ULQDDVLXSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001047548784 764662182 /nfs/dbraw/zinc/66/21/82/764662182.db2.gz JUPRBHYTNUYCDM-GJZGRUSLSA-N 1 1 328.372 0.409 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001047548784 764662190 /nfs/dbraw/zinc/66/21/90/764662190.db2.gz JUPRBHYTNUYCDM-GJZGRUSLSA-N 1 1 328.372 0.409 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC1 ZINC001052517011 764669347 /nfs/dbraw/zinc/66/93/47/764669347.db2.gz UDCGYYPCJGBJGL-CYBMUJFWSA-N 1 1 328.376 0.537 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccccc2COC)C1 ZINC001047560250 764693776 /nfs/dbraw/zinc/69/37/76/764693776.db2.gz CJZWZNJPXXXEFZ-ROUUACIJSA-N 1 1 330.428 0.902 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)s2)C1 ZINC001047562097 764696565 /nfs/dbraw/zinc/69/65/65/764696565.db2.gz FVPOLBBFEVDCGV-RYUDHWBXSA-N 1 1 337.445 0.930 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCOCCO ZINC001099074695 764696715 /nfs/dbraw/zinc/69/67/15/764696715.db2.gz PWWLOHDYTFASAC-HOTGVXAUSA-N 1 1 340.464 0.640 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001047564780 764704053 /nfs/dbraw/zinc/70/40/53/764704053.db2.gz BRLVEZWWNZUARG-HOTGVXAUSA-N 1 1 328.416 0.875 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncc3ccccc32)C1 ZINC001047567609 764713303 /nfs/dbraw/zinc/71/33/03/764713303.db2.gz OWIPJEBPDRNWSD-IRXDYDNUSA-N 1 1 326.400 0.563 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001052563295 764765973 /nfs/dbraw/zinc/76/59/73/764765973.db2.gz NWKLETNYJAMHGZ-OAHLLOKOSA-N 1 1 343.493 0.959 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1F ZINC001015504941 764822004 /nfs/dbraw/zinc/82/20/04/764822004.db2.gz SAKQIOHUHJEZES-UONOGXRCSA-N 1 1 330.363 0.524 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1F ZINC001015504941 764822010 /nfs/dbraw/zinc/82/20/10/764822010.db2.gz SAKQIOHUHJEZES-UONOGXRCSA-N 1 1 330.363 0.524 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001047596988 764823783 /nfs/dbraw/zinc/82/37/83/764823783.db2.gz CONAANJYOSEQCO-RCBQFDQVSA-N 1 1 333.436 0.379 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001047596988 764823792 /nfs/dbraw/zinc/82/37/92/764823792.db2.gz CONAANJYOSEQCO-RCBQFDQVSA-N 1 1 333.436 0.379 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001047596988 764823797 /nfs/dbraw/zinc/82/37/97/764823797.db2.gz CONAANJYOSEQCO-RCBQFDQVSA-N 1 1 333.436 0.379 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001047596988 764823806 /nfs/dbraw/zinc/82/38/06/764823806.db2.gz CONAANJYOSEQCO-RCBQFDQVSA-N 1 1 333.436 0.379 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001047596988 764823815 /nfs/dbraw/zinc/82/38/15/764823815.db2.gz CONAANJYOSEQCO-RCBQFDQVSA-N 1 1 333.436 0.379 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)cn1 ZINC001047599062 764835161 /nfs/dbraw/zinc/83/51/61/764835161.db2.gz FWIMPJMAVSJWOT-IRXDYDNUSA-N 1 1 339.399 0.077 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001047628618 764930153 /nfs/dbraw/zinc/93/01/53/764930153.db2.gz IFWWPVWXNBLPKO-HOTGVXAUSA-N 1 1 329.400 0.416 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001015553500 764948581 /nfs/dbraw/zinc/94/85/81/764948581.db2.gz YLXMYTJERNNNGZ-KGLIPLIRSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001015553500 764948585 /nfs/dbraw/zinc/94/85/85/764948585.db2.gz YLXMYTJERNNNGZ-KGLIPLIRSA-N 1 1 331.420 0.320 20 30 ECEDMO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1)[C@H]1CNC(=O)N1 ZINC001052670566 764969917 /nfs/dbraw/zinc/96/99/17/764969917.db2.gz GBBZTCAGQKQEPC-DLBZAZTESA-N 1 1 340.427 0.690 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001099102448 765057545 /nfs/dbraw/zinc/05/75/45/765057545.db2.gz MFZAOYXTQIDKMD-CYBMUJFWSA-N 1 1 331.482 0.719 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001052759565 765075240 /nfs/dbraw/zinc/07/52/40/765075240.db2.gz VWWVMECRNFLBBI-HNNXBMFYSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001052759565 765075246 /nfs/dbraw/zinc/07/52/46/765075246.db2.gz VWWVMECRNFLBBI-HNNXBMFYSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccnn3C)CC2)nn1 ZINC001052774658 765096057 /nfs/dbraw/zinc/09/60/57/765096057.db2.gz FZPMPAPZLUCDBU-CQSZACIVSA-N 1 1 343.435 0.982 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F ZINC001015711539 765212497 /nfs/dbraw/zinc/21/24/97/765212497.db2.gz KAQPINNBUPKCTC-MCIONIFRSA-N 1 1 330.363 0.509 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F ZINC001015711539 765212501 /nfs/dbraw/zinc/21/25/01/765212501.db2.gz KAQPINNBUPKCTC-MCIONIFRSA-N 1 1 330.363 0.509 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001052845230 765218115 /nfs/dbraw/zinc/21/81/15/765218115.db2.gz VTYNCSGOARGJRJ-AWEZNQCLSA-N 1 1 336.436 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](CC)C(N)=O)CC2)cn1 ZINC001052878949 765285730 /nfs/dbraw/zinc/28/57/30/765285730.db2.gz MHWDNTUIRVGKCV-JKSUJKDBSA-N 1 1 328.416 0.911 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)cn1 ZINC001052879518 765288030 /nfs/dbraw/zinc/28/80/30/765288030.db2.gz ZGBFCKLUWGDTBN-SJORKVTESA-N 1 1 340.427 0.926 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)Cn3nc4ccccn4c3=O)CCC[C@H]12 ZINC000992052475 765297868 /nfs/dbraw/zinc/29/78/68/765297868.db2.gz SLSPKQXVUYZCNO-KBXCAEBGSA-N 1 1 341.415 0.795 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001015776975 765298157 /nfs/dbraw/zinc/29/81/57/765298157.db2.gz HXAZTYMDKCDFFE-LSDHHAIUSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001015776975 765298165 /nfs/dbraw/zinc/29/81/65/765298165.db2.gz HXAZTYMDKCDFFE-LSDHHAIUSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001015795287 765333171 /nfs/dbraw/zinc/33/31/71/765333171.db2.gz NXCLWIJOZSZQSJ-DZGCQCFKSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001015795287 765333181 /nfs/dbraw/zinc/33/31/81/765333181.db2.gz NXCLWIJOZSZQSJ-DZGCQCFKSA-N 1 1 331.420 0.494 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)CC1 ZINC001052921413 765351745 /nfs/dbraw/zinc/35/17/45/765351745.db2.gz ILDVZZLVONBSGS-LLVKDONJSA-N 1 1 337.811 0.912 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)CC1 ZINC001052921413 765351746 /nfs/dbraw/zinc/35/17/46/765351746.db2.gz ILDVZZLVONBSGS-LLVKDONJSA-N 1 1 337.811 0.912 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)cc1 ZINC001015808945 765365674 /nfs/dbraw/zinc/36/56/74/765365674.db2.gz HJDKZDRKZOEXMM-NVXWUHKLSA-N 1 1 341.411 0.733 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)cc1 ZINC001015808945 765365679 /nfs/dbraw/zinc/36/56/79/765365679.db2.gz HJDKZDRKZOEXMM-NVXWUHKLSA-N 1 1 341.411 0.733 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)nn1 ZINC001015810123 765367149 /nfs/dbraw/zinc/36/71/49/765367149.db2.gz AQUSIKHBSRKIQU-CYBMUJFWSA-N 1 1 349.826 0.818 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)nn1 ZINC001015810123 765367154 /nfs/dbraw/zinc/36/71/54/765367154.db2.gz AQUSIKHBSRKIQU-CYBMUJFWSA-N 1 1 349.826 0.818 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCc3ccns3)C2)nn1 ZINC001015810426 765368516 /nfs/dbraw/zinc/36/85/16/765368516.db2.gz IOZGQRAVNHVKQD-LBPRGKRZSA-N 1 1 332.433 0.967 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001052929903 765369258 /nfs/dbraw/zinc/36/92/58/765369258.db2.gz PUSUMZZPOOFYKA-HNNXBMFYSA-N 1 1 343.493 0.264 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001015821674 765385396 /nfs/dbraw/zinc/38/53/96/765385396.db2.gz ZEFXNBVIZFCZDV-CQSZACIVSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001015821674 765385403 /nfs/dbraw/zinc/38/54/03/765385403.db2.gz ZEFXNBVIZFCZDV-CQSZACIVSA-N 1 1 329.408 0.592 20 30 ECEDMO CC(C)[C@@H](O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052990332 765468699 /nfs/dbraw/zinc/46/86/99/765468699.db2.gz WLURKKCQTBDIBV-IXDOHACOSA-N 1 1 334.464 0.666 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001053037388 765514106 /nfs/dbraw/zinc/51/41/06/765514106.db2.gz ZIOFOUHSKNIAMD-HUUCEWRRSA-N 1 1 330.436 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001053104291 765581071 /nfs/dbraw/zinc/58/10/71/765581071.db2.gz DNPMRWSJOWFTKC-CABCVRRESA-N 1 1 346.431 0.265 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001053110082 765591223 /nfs/dbraw/zinc/59/12/23/765591223.db2.gz YFAMSGCWIPSLMR-JKSUJKDBSA-N 1 1 337.464 0.579 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001016005677 765706048 /nfs/dbraw/zinc/70/60/48/765706048.db2.gz YQVBRABWLQBIAZ-ZFWWWQNUSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001016005677 765706052 /nfs/dbraw/zinc/70/60/52/765706052.db2.gz YQVBRABWLQBIAZ-ZFWWWQNUSA-N 1 1 331.420 0.494 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001016018266 765724783 /nfs/dbraw/zinc/72/47/83/765724783.db2.gz GPJUFZZZQHLLKI-UONOGXRCSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001016018266 765724789 /nfs/dbraw/zinc/72/47/89/765724789.db2.gz GPJUFZZZQHLLKI-UONOGXRCSA-N 1 1 344.415 0.374 20 30 ECEDMO N#Cc1cc(C(=O)N2CCOC3(C[NH+](C[C@@H]4CCCOC4)C3)C2)c[nH]1 ZINC001053226884 765794036 /nfs/dbraw/zinc/79/40/36/765794036.db2.gz AMQPKCLCNPTYGL-AWEZNQCLSA-N 1 1 344.415 0.840 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)CCO2 ZINC001053255491 765850891 /nfs/dbraw/zinc/85/08/91/765850891.db2.gz MOYATFWHIYNHTH-IRXDYDNUSA-N 1 1 331.460 0.797 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001016166278 765861304 /nfs/dbraw/zinc/86/13/04/765861304.db2.gz XBGSPMVFTUANKD-KGLIPLIRSA-N 1 1 330.388 0.378 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001016166278 765861311 /nfs/dbraw/zinc/86/13/11/765861311.db2.gz XBGSPMVFTUANKD-KGLIPLIRSA-N 1 1 330.388 0.378 20 30 ECEDMO Cn1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)ccc1=O ZINC001016182888 765878565 /nfs/dbraw/zinc/87/85/65/765878565.db2.gz XILZROASAVFXDS-NSHDSACASA-N 1 1 343.412 0.718 20 30 ECEDMO Cn1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)ccc1=O ZINC001016182888 765878571 /nfs/dbraw/zinc/87/85/71/765878571.db2.gz XILZROASAVFXDS-NSHDSACASA-N 1 1 343.412 0.718 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cccn3nnnc13)CCO2 ZINC001053273586 765880840 /nfs/dbraw/zinc/88/08/40/765880840.db2.gz ZHQZUUAMZHJDBC-UHFFFAOYSA-N 1 1 342.403 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(CCC(=C)C)C2)C1 ZINC001053291437 765920183 /nfs/dbraw/zinc/92/01/83/765920183.db2.gz PKTJTGKNQAFALG-KRWDZBQOSA-N 1 1 331.460 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(CCC(=C)C)C2)C1 ZINC001053291437 765920187 /nfs/dbraw/zinc/92/01/87/765920187.db2.gz PKTJTGKNQAFALG-KRWDZBQOSA-N 1 1 331.460 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCCN2C(=O)c2cn[nH]n2)C1=O ZINC001089194923 765926370 /nfs/dbraw/zinc/92/63/70/765926370.db2.gz SZAFYSQQQQDOQO-DZGCQCFKSA-N 1 1 346.435 0.518 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3ccccc3)C2)C1 ZINC001030837139 765934074 /nfs/dbraw/zinc/93/40/74/765934074.db2.gz HZAHGXUYEJYHFP-IBGZPJMESA-N 1 1 341.455 0.948 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3ccccc3)C2)C1 ZINC001030837139 765934078 /nfs/dbraw/zinc/93/40/78/765934078.db2.gz HZAHGXUYEJYHFP-IBGZPJMESA-N 1 1 341.455 0.948 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001017746959 768344076 /nfs/dbraw/zinc/34/40/76/768344076.db2.gz NOVHSMNZIGEHQO-IKGGRYGDSA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(C)nn3c2C)[C@@H](O)C1 ZINC001083683977 766062340 /nfs/dbraw/zinc/06/23/40/766062340.db2.gz ZOKCCYHLPPQSFH-CABCVRRESA-N 1 1 329.404 0.697 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nnnn4CC3)CCC[C@@H]12 ZINC000992254861 766071134 /nfs/dbraw/zinc/07/11/34/766071134.db2.gz ZLRQGZASUAXSFV-HDMKZQKVSA-N 1 1 342.447 0.762 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)[C@@H](O)C1 ZINC001083685616 766174222 /nfs/dbraw/zinc/17/42/22/766174222.db2.gz CNYGFEWPDHAVSK-CABCVRRESA-N 1 1 329.404 0.628 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2-n2cccc2)[C@@H](O)C1 ZINC001083687383 766244274 /nfs/dbraw/zinc/24/42/74/766244274.db2.gz PZVKJHRVNHNMMN-CVEARBPZSA-N 1 1 343.431 0.952 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2)[C@@H](O)C1 ZINC001083686619 766246895 /nfs/dbraw/zinc/24/68/95/766246895.db2.gz BGBCGEPAJLOTOC-NEPJUHHUSA-N 1 1 327.306 0.899 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)cc1 ZINC001016429365 766283037 /nfs/dbraw/zinc/28/30/37/766283037.db2.gz GMLJOIANTPPXEH-CABCVRRESA-N 1 1 340.383 0.302 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)C2=CCOCC2)C1 ZINC001016431212 766287348 /nfs/dbraw/zinc/28/73/48/766287348.db2.gz PCDFNIHAKKLISA-JCYILVPMSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)C2=CCOCC2)C1 ZINC001016431212 766287352 /nfs/dbraw/zinc/28/73/52/766287352.db2.gz PCDFNIHAKKLISA-JCYILVPMSA-N 1 1 345.443 0.536 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001045768809 766345638 /nfs/dbraw/zinc/34/56/38/766345638.db2.gz QYMGCZWQRQVGMX-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992348861 766348199 /nfs/dbraw/zinc/34/81/99/766348199.db2.gz GDVOJNHVIAVHNS-CXAGYDPISA-N 1 1 330.388 0.485 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001045782307 766363730 /nfs/dbraw/zinc/36/37/30/766363730.db2.gz DVKDTTUURYWJQA-YOEHRIQHSA-N 1 1 337.464 0.763 20 30 ECEDMO N#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)O2 ZINC001053608876 766425911 /nfs/dbraw/zinc/42/59/11/766425911.db2.gz NKWQINAPTGSXJT-KGLIPLIRSA-N 1 1 329.404 0.634 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn3ccncc13)O2 ZINC001053609601 766428150 /nfs/dbraw/zinc/42/81/50/766428150.db2.gz CDDZAMMGEIRVSK-CQSZACIVSA-N 1 1 339.399 0.716 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001016527435 766439566 /nfs/dbraw/zinc/43/95/66/766439566.db2.gz CARGKIRIJQEJNC-HSBZDZAISA-N 1 1 329.404 0.557 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@@H]12 ZINC000992397134 766474570 /nfs/dbraw/zinc/47/45/70/766474570.db2.gz NPPFICKQYZSTCN-HWPZZCPQSA-N 1 1 332.360 0.256 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)O2 ZINC001053637483 766491156 /nfs/dbraw/zinc/49/11/56/766491156.db2.gz AEBVFHHPDGQBMT-VVLHAWIVSA-N 1 1 348.443 0.411 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001045943006 766513948 /nfs/dbraw/zinc/51/39/48/766513948.db2.gz DXFLTLIZGKVUEJ-PKOBYXMFSA-N 1 1 333.476 0.781 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCOCC1=O)C2 ZINC001045944077 766515294 /nfs/dbraw/zinc/51/52/94/766515294.db2.gz WOTBGGWHGJPVQW-LJQANCHMSA-N 1 1 347.459 0.573 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)cn1 ZINC000992412139 766515773 /nfs/dbraw/zinc/51/57/73/766515773.db2.gz RCABRMWVTWEZDL-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C(=O)N1)C2 ZINC001045955610 766525255 /nfs/dbraw/zinc/52/52/55/766525255.db2.gz IIKNYHUMVADFPF-QAPCUYQASA-N 1 1 332.448 0.738 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C2CC(NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC001016579225 766529728 /nfs/dbraw/zinc/52/97/28/766529728.db2.gz QDTYWVUCCCAJBJ-GALLPEHLSA-N 1 1 343.431 0.946 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3nc(C)n(C)c3c2)[C@@H](O)C1 ZINC001083696167 766545176 /nfs/dbraw/zinc/54/51/76/766545176.db2.gz MPXSLBUQYLSRLG-WBVHZDCISA-N 1 1 326.400 0.680 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)cn1 ZINC001045981134 766551438 /nfs/dbraw/zinc/55/14/38/766551438.db2.gz PTXQLDOWCKOKMQ-LJQANCHMSA-N 1 1 340.427 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1C(=O)CCC1=O)C2 ZINC001045983673 766555097 /nfs/dbraw/zinc/55/50/97/766555097.db2.gz RKDNFIPKFYWQTN-GOSISDBHSA-N 1 1 331.416 0.473 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N3CCN(C(=O)CC)CC3)C2)C1=O ZINC001045990462 766567429 /nfs/dbraw/zinc/56/74/29/766567429.db2.gz VAZMQKBUJQVFOM-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](N3CCN(C(=O)CC)CC3)C2)C1=O ZINC001045990459 766567546 /nfs/dbraw/zinc/56/75/46/766567546.db2.gz VAZMQKBUJQVFOM-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)nn(C)c1F)O2 ZINC001053693436 766601343 /nfs/dbraw/zinc/60/13/43/766601343.db2.gz CYEYTESJWOOMNI-ZDUSSCGKSA-N 1 1 334.395 0.854 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001046003895 766608759 /nfs/dbraw/zinc/60/87/59/766608759.db2.gz AOISPUAZEWPHSU-HNNXBMFYSA-N 1 1 337.855 0.854 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001046003895 766608765 /nfs/dbraw/zinc/60/87/65/766608765.db2.gz AOISPUAZEWPHSU-HNNXBMFYSA-N 1 1 337.855 0.854 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C(C)=O)CCO3)CCC[C@@H]12 ZINC000992457035 766620789 /nfs/dbraw/zinc/62/07/89/766620789.db2.gz QJHWHRIYPLCHMT-JFIYKMOQSA-N 1 1 335.448 0.923 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C(C)=O)CCO3)CCC[C@H]12 ZINC000992458760 766624199 /nfs/dbraw/zinc/62/41/99/766624199.db2.gz USHNVCMEKVVDMS-SOLBZPMBSA-N 1 1 333.432 0.370 20 30 ECEDMO Cc1nccnc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011957 766638145 /nfs/dbraw/zinc/63/81/45/766638145.db2.gz JJPRJRULRFWMII-HOCLYGCPSA-N 1 1 342.447 0.663 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 ZINC001046014491 766646251 /nfs/dbraw/zinc/64/62/51/766646251.db2.gz YDUYRCVOXVNHJE-DLBZAZTESA-N 1 1 336.480 0.112 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001046017112 766654160 /nfs/dbraw/zinc/65/41/60/766654160.db2.gz MGEZINAPEFBDRZ-HNNXBMFYSA-N 1 1 337.855 0.923 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001046017112 766654169 /nfs/dbraw/zinc/65/41/69/766654169.db2.gz MGEZINAPEFBDRZ-HNNXBMFYSA-N 1 1 337.855 0.923 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cc(C)n[nH]3)CC2)C1 ZINC001046018887 766657989 /nfs/dbraw/zinc/65/79/89/766657989.db2.gz CIXNHRGIRVJRRN-KRWDZBQOSA-N 1 1 329.448 0.502 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)ncn3)CC2)C1 ZINC001046023659 766673475 /nfs/dbraw/zinc/67/34/75/766673475.db2.gz UDRJUFRAOKBCGC-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046026673 766684708 /nfs/dbraw/zinc/68/47/08/766684708.db2.gz GPMMLKKARWECFB-ZDUSSCGKSA-N 1 1 338.843 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046026673 766684714 /nfs/dbraw/zinc/68/47/14/766684714.db2.gz GPMMLKKARWECFB-ZDUSSCGKSA-N 1 1 338.843 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(F)s2)C1 ZINC000994750930 766687590 /nfs/dbraw/zinc/68/75/90/766687590.db2.gz FILGIXPZSVSCFC-LBPRGKRZSA-N 1 1 335.404 0.925 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(F)s2)C1 ZINC000994750930 766687595 /nfs/dbraw/zinc/68/75/95/766687595.db2.gz FILGIXPZSVSCFC-LBPRGKRZSA-N 1 1 335.404 0.925 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)onc2CC)C1 ZINC000994750695 766687752 /nfs/dbraw/zinc/68/77/52/766687752.db2.gz BPIPXSQSJKFFJS-HNNXBMFYSA-N 1 1 344.415 0.584 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)onc2CC)C1 ZINC000994750695 766687755 /nfs/dbraw/zinc/68/77/55/766687755.db2.gz BPIPXSQSJKFFJS-HNNXBMFYSA-N 1 1 344.415 0.584 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncc(C)c2)C1 ZINC000994749508 766690858 /nfs/dbraw/zinc/69/08/58/766690858.db2.gz BMPUESXWRRGZML-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncc(C)c2)C1 ZINC000994749508 766690867 /nfs/dbraw/zinc/69/08/67/766690867.db2.gz BMPUESXWRRGZML-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(Cl)o2)C1 ZINC000994749580 766691034 /nfs/dbraw/zinc/69/10/34/766691034.db2.gz BVGYGJDLXMIERI-LBPRGKRZSA-N 1 1 335.791 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(Cl)o2)C1 ZINC000994749580 766691038 /nfs/dbraw/zinc/69/10/38/766691038.db2.gz BVGYGJDLXMIERI-LBPRGKRZSA-N 1 1 335.791 0.971 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnnn3CC)CC2)C1 ZINC001046028415 766691628 /nfs/dbraw/zinc/69/16/28/766691628.db2.gz BNFVVTTXGFBRFX-HNNXBMFYSA-N 1 1 330.436 0.153 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046028790 766693202 /nfs/dbraw/zinc/69/32/02/766693202.db2.gz VVCKOUIBSSUBSG-QGZVFWFLSA-N 1 1 329.448 0.814 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046029670 766695889 /nfs/dbraw/zinc/69/58/89/766695889.db2.gz ZCWFLBKVRRIUEU-HNNXBMFYSA-N 1 1 332.452 0.613 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cccnn2)C1 ZINC001016669875 766697405 /nfs/dbraw/zinc/69/74/05/766697405.db2.gz DSEFONUKJHTBTC-XUJLQICISA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cccnn2)C1 ZINC001016669875 766697410 /nfs/dbraw/zinc/69/74/10/766697410.db2.gz DSEFONUKJHTBTC-XUJLQICISA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cc[nH]c2)C1 ZINC001016670030 766698797 /nfs/dbraw/zinc/69/87/97/766698797.db2.gz GLXGNUUFEUDSHD-GPANFISMSA-N 1 1 328.416 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cc[nH]c2)C1 ZINC001016670030 766698800 /nfs/dbraw/zinc/69/88/00/766698800.db2.gz GLXGNUUFEUDSHD-GPANFISMSA-N 1 1 328.416 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2nccs2)C1 ZINC001016670080 766698806 /nfs/dbraw/zinc/69/88/06/766698806.db2.gz HRKZMYLSOCSPOX-RUXDESIVSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2nccs2)C1 ZINC001016670080 766698807 /nfs/dbraw/zinc/69/88/07/766698807.db2.gz HRKZMYLSOCSPOX-RUXDESIVSA-N 1 1 346.456 0.960 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@@H]12 ZINC000992489826 766700708 /nfs/dbraw/zinc/70/07/08/766700708.db2.gz CWXQHQGMZPHQHP-GZBFAFLISA-N 1 1 327.450 0.367 20 30 ECEDMO CCN(c1nc(C)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089624524 766702374 /nfs/dbraw/zinc/70/23/74/766702374.db2.gz DAJHMANNGCTVJE-ZBFHGGJFSA-N 1 1 345.447 0.923 20 30 ECEDMO CCN(c1nc(C)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089624524 766702379 /nfs/dbraw/zinc/70/23/79/766702379.db2.gz DAJHMANNGCTVJE-ZBFHGGJFSA-N 1 1 345.447 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(COC)o2)C1 ZINC000994754526 766707292 /nfs/dbraw/zinc/70/72/92/766707292.db2.gz MLNJMLFSZDPDCO-HNNXBMFYSA-N 1 1 345.399 0.464 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(COC)o2)C1 ZINC000994754526 766707298 /nfs/dbraw/zinc/70/72/98/766707298.db2.gz MLNJMLFSZDPDCO-HNNXBMFYSA-N 1 1 345.399 0.464 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@H]12 ZINC000992496312 766709443 /nfs/dbraw/zinc/70/94/43/766709443.db2.gz SXPYKYZSSSFIMG-UGSOOPFHSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccccc2F)C1 ZINC000994753482 766711155 /nfs/dbraw/zinc/71/11/55/766711155.db2.gz GTHXYWQRWPFULS-KRWDZBQOSA-N 1 1 343.402 0.793 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccccc2F)C1 ZINC000994753482 766711159 /nfs/dbraw/zinc/71/11/59/766711159.db2.gz GTHXYWQRWPFULS-KRWDZBQOSA-N 1 1 343.402 0.793 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 ZINC001046035219 766719230 /nfs/dbraw/zinc/71/92/30/766719230.db2.gz HILQWMZLFQQNIN-IAGOWNOFSA-N 1 1 348.491 0.697 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046035205 766719601 /nfs/dbraw/zinc/71/96/01/766719601.db2.gz GVPINMQZVZOOQH-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2O)C1 ZINC001083763568 766721683 /nfs/dbraw/zinc/72/16/83/766721683.db2.gz RBAPHYYYROGRRA-MJBXVCDLSA-N 1 1 331.420 0.283 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)C1 ZINC001046036597 766728405 /nfs/dbraw/zinc/72/84/05/766728405.db2.gz CUWXDCRJAQLEKI-QGZVFWFLSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2[nH]ccc2C2CC2)C1 ZINC000994756742 766730139 /nfs/dbraw/zinc/73/01/39/766730139.db2.gz YOTGFOBOIDBIBB-INIZCTEOSA-N 1 1 340.427 0.930 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2[nH]ccc2C2CC2)C1 ZINC000994756742 766730144 /nfs/dbraw/zinc/73/01/44/766730144.db2.gz YOTGFOBOIDBIBB-INIZCTEOSA-N 1 1 340.427 0.930 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC001046038492 766738100 /nfs/dbraw/zinc/73/81/00/766738100.db2.gz DYRZHIBJQQSOLH-MRXNPFEDSA-N 1 1 330.432 0.403 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3COC)CC2)C1 ZINC001046038538 766739450 /nfs/dbraw/zinc/73/94/50/766739450.db2.gz MQSNXCYVNPQPNF-OAHLLOKOSA-N 1 1 345.447 0.032 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nncn4C3)CCC[C@H]12 ZINC000992505690 766740390 /nfs/dbraw/zinc/74/03/90/766740390.db2.gz HUJPNLUFZOLKKT-RLFYNMQTSA-N 1 1 327.432 0.977 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)S(C)(=O)=O)CC2)C1 ZINC001046039407 766742162 /nfs/dbraw/zinc/74/21/62/766742162.db2.gz XUFQEGGEVBASBS-LSDHHAIUSA-N 1 1 343.493 0.214 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046039688 766743573 /nfs/dbraw/zinc/74/35/73/766743573.db2.gz VTNDUMZZQARETE-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046040557 766748146 /nfs/dbraw/zinc/74/81/46/766748146.db2.gz FAFSKTDXCXPBGO-IAGOWNOFSA-N 1 1 348.491 0.697 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3snnc3CC)CC2)C1 ZINC001046040893 766749134 /nfs/dbraw/zinc/74/91/34/766749134.db2.gz AABCXBNFSKIBJH-CQSZACIVSA-N 1 1 347.488 0.956 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3CCC(C(N)=O)CC3)CC2)C1 ZINC001046041513 766752691 /nfs/dbraw/zinc/75/26/91/766752691.db2.gz QTWDWTVRLVKOKG-JCYILVPMSA-N 1 1 348.491 0.683 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)C1 ZINC001046041659 766752754 /nfs/dbraw/zinc/75/27/54/766752754.db2.gz LSCDFZPVZRXTEB-MJGOQNOKSA-N 1 1 339.439 0.842 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OCC)no3)CC2)C1 ZINC001046045043 766769810 /nfs/dbraw/zinc/76/98/10/766769810.db2.gz VFGIRTUAHHMYES-OAHLLOKOSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCn3nc(C)cc3C)CC2)C1 ZINC001046049260 766782583 /nfs/dbraw/zinc/78/25/83/766782583.db2.gz METGDMPHZWXBST-SFHVURJKSA-N 1 1 343.475 0.742 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001046049076 766783211 /nfs/dbraw/zinc/78/32/11/766783211.db2.gz IPGZGSVMWCZPHL-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046049978 766786031 /nfs/dbraw/zinc/78/60/31/766786031.db2.gz BJNXIGBXVUKLRC-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2COC3(C[NH+](CC[C@@H]4CCOC4)C3)C2)c1 ZINC001053766829 766786430 /nfs/dbraw/zinc/78/64/30/766786430.db2.gz WTBZGVOPEBJBCY-UKRRQHHQSA-N 1 1 344.415 0.886 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)CO2 ZINC001053771030 766798925 /nfs/dbraw/zinc/79/89/25/766798925.db2.gz BVHZGQSSSJGTQJ-OLZOCXBDSA-N 1 1 329.828 0.029 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)CO2 ZINC001053771030 766798932 /nfs/dbraw/zinc/79/89/32/766798932.db2.gz BVHZGQSSSJGTQJ-OLZOCXBDSA-N 1 1 329.828 0.029 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)CC2)C1 ZINC001046054437 766799879 /nfs/dbraw/zinc/79/98/79/766799879.db2.gz NIEKQYXKPIRGEN-GJZGRUSLSA-N 1 1 344.463 0.629 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)CC[N@H+]1C ZINC001046055443 766806132 /nfs/dbraw/zinc/80/61/32/766806132.db2.gz XWBKCGRZDVDHRO-ULQDDVLXSA-N 1 1 333.480 0.459 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046055776 766807066 /nfs/dbraw/zinc/80/70/66/766807066.db2.gz QOUYSPVKUAJCJR-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N4CCC4)[C@@H]3C2)c1 ZINC001042000015 782579098 /nfs/dbraw/zinc/57/90/98/782579098.db2.gz KFBRYUYFYBEVHE-GOEBONIOSA-N 1 1 341.415 0.655 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 ZINC001046060529 766826218 /nfs/dbraw/zinc/82/62/18/766826218.db2.gz BDXVLBQSGFNHSQ-VQIMIIECSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cc(C)on3)CC2)C1 ZINC001046061592 766830537 /nfs/dbraw/zinc/83/05/37/766830537.db2.gz OAJIUOHUMLBBPC-KRWDZBQOSA-N 1 1 330.432 0.767 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCOC)C2)CC1 ZINC001046063053 766838164 /nfs/dbraw/zinc/83/81/64/766838164.db2.gz KUUWNDVGXOIWNQ-BBWFWOEESA-N 1 1 337.464 0.442 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3nccn4ccnc34)CC2)C1 ZINC001046063610 766838952 /nfs/dbraw/zinc/83/89/52/766838952.db2.gz SGTNLHVUYNRNGA-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC001046064865 766846739 /nfs/dbraw/zinc/84/67/39/766846739.db2.gz WXTKKSNAOFDODR-CQSZACIVSA-N 1 1 345.447 0.522 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cscn3)CC2)C1 ZINC001046068705 766864837 /nfs/dbraw/zinc/86/48/37/766864837.db2.gz RKMRFWYCISJUEB-INIZCTEOSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(COC)on3)CC2)C1 ZINC001046068829 766865071 /nfs/dbraw/zinc/86/50/71/766865071.db2.gz VJWBWKKVKCJCNM-HNNXBMFYSA-N 1 1 346.431 0.676 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3nccc3C)CC2)C1 ZINC001046069153 766865526 /nfs/dbraw/zinc/86/55/26/766865526.db2.gz BOYIUDLHTHNGFA-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 ZINC001046069213 766868617 /nfs/dbraw/zinc/86/86/17/766868617.db2.gz CMFUGSSFGJGCKQ-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)C1 ZINC001046070216 766871938 /nfs/dbraw/zinc/87/19/38/766871938.db2.gz NFXNHFUDDWDCQY-INIZCTEOSA-N 1 1 339.443 0.819 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)n(CC)n3)CC2)C1 ZINC001046072094 766880414 /nfs/dbraw/zinc/88/04/14/766880414.db2.gz SDSCKXWWCRAINM-OAHLLOKOSA-N 1 1 345.447 0.281 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046073212 766885536 /nfs/dbraw/zinc/88/55/36/766885536.db2.gz YFVVLPYBXZMLSQ-LBPRGKRZSA-N 1 1 325.800 0.654 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046073212 766885545 /nfs/dbraw/zinc/88/55/45/766885545.db2.gz YFVVLPYBXZMLSQ-LBPRGKRZSA-N 1 1 325.800 0.654 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)nn3C)CC2)C1 ZINC001046073323 766885752 /nfs/dbraw/zinc/88/57/52/766885752.db2.gz BHWKSOSMNWEOLX-KRWDZBQOSA-N 1 1 343.475 0.838 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CCOCC2CC2)[C@H](OC)C1 ZINC001212268052 766891875 /nfs/dbraw/zinc/89/18/75/766891875.db2.gz OBBDJRJXNVPSOW-HZPDHXFCSA-N 1 1 326.437 0.821 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC001046074435 766892199 /nfs/dbraw/zinc/89/21/99/766892199.db2.gz ATJACGAUEZGCAD-QGZVFWFLSA-N 1 1 329.448 0.814 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC001046076878 766905664 /nfs/dbraw/zinc/90/56/64/766905664.db2.gz IBKDEESGSIVQAU-MRXNPFEDSA-N 1 1 343.431 0.341 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC001046077592 766907569 /nfs/dbraw/zinc/90/75/69/766907569.db2.gz CJIFUEOPJRBAFB-MRXNPFEDSA-N 1 1 344.459 0.794 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC001046078410 766910404 /nfs/dbraw/zinc/91/04/04/766910404.db2.gz WRRLESBYCFOMKD-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](CCOC)C3)CC2)nc1 ZINC001046078160 766910656 /nfs/dbraw/zinc/91/06/56/766910656.db2.gz UADUFRXAPCAJDU-QGZVFWFLSA-N 1 1 342.443 0.541 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC001046082603 766921627 /nfs/dbraw/zinc/92/16/27/766921627.db2.gz YBCFRUAIPYXLGW-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 ZINC001046083508 766922776 /nfs/dbraw/zinc/92/27/76/766922776.db2.gz RZSXGHSEBSCLAN-MRXNPFEDSA-N 1 1 328.416 0.643 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cscn3)CC2)C1 ZINC001046086779 766929569 /nfs/dbraw/zinc/92/95/69/766929569.db2.gz YYTWPRQKTLJJJG-MRXNPFEDSA-N 1 1 332.473 0.927 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC001046089861 766931967 /nfs/dbraw/zinc/93/19/67/766931967.db2.gz KCFSAGWUHYKQSU-KRWDZBQOSA-N 1 1 346.479 0.542 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(OCC)cn3)CC2)C1 ZINC001046089949 766931989 /nfs/dbraw/zinc/93/19/89/766931989.db2.gz MDSNSGUPKUBXMO-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC001046090510 766932434 /nfs/dbraw/zinc/93/24/34/766932434.db2.gz WXDFEWPZXRMPAC-MRXNPFEDSA-N 1 1 332.452 0.152 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CCC1 ZINC001046126312 766958563 /nfs/dbraw/zinc/95/85/63/766958563.db2.gz DDBUKBPBDGVOGE-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(CC(=O)NC2CCCC2)C1 ZINC001031740854 766986383 /nfs/dbraw/zinc/98/63/83/766986383.db2.gz MGQUSAKSSNIUEU-KRWDZBQOSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CC(=O)NC2CCCC2)C1 ZINC001031740854 766986392 /nfs/dbraw/zinc/98/63/92/766986392.db2.gz MGQUSAKSSNIUEU-KRWDZBQOSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2c[nH]nc2C)C1 ZINC001016823109 766986854 /nfs/dbraw/zinc/98/68/54/766986854.db2.gz KIBAYGCJCFATID-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2c[nH]nc2C)C1 ZINC001016823109 766986860 /nfs/dbraw/zinc/98/68/60/766986860.db2.gz KIBAYGCJCFATID-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H]2CCN(C(C)C)C2=O)C1 ZINC001031742796 767006868 /nfs/dbraw/zinc/00/68/68/767006868.db2.gz RLYOJEVKTYSWGN-DLBZAZTESA-N 1 1 346.475 0.141 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H]2CCN(C(C)C)C2=O)C1 ZINC001031742796 767006879 /nfs/dbraw/zinc/00/68/79/767006879.db2.gz RLYOJEVKTYSWGN-DLBZAZTESA-N 1 1 346.475 0.141 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC001031742796 767006888 /nfs/dbraw/zinc/00/68/88/767006888.db2.gz RLYOJEVKTYSWGN-DLBZAZTESA-N 1 1 346.475 0.141 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(C(N)=O)nc1)CO2 ZINC001053847697 767006871 /nfs/dbraw/zinc/00/68/71/767006871.db2.gz KFHCKIZPAIGAEZ-AWEZNQCLSA-N 1 1 344.415 0.259 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn3c(n1)COCC3)CO2 ZINC001053847895 767008220 /nfs/dbraw/zinc/00/82/20/767008220.db2.gz OBVRHNHCVYZBCK-CQSZACIVSA-N 1 1 346.431 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001046169103 767011076 /nfs/dbraw/zinc/01/10/76/767011076.db2.gz LKBUMHSNJZHXQB-YOEHRIQHSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001046169103 767011088 /nfs/dbraw/zinc/01/10/88/767011088.db2.gz LKBUMHSNJZHXQB-YOEHRIQHSA-N 1 1 331.420 0.699 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)c1 ZINC000994852449 767018861 /nfs/dbraw/zinc/01/88/61/767018861.db2.gz DSOAICJCQMNOKA-ZBFHGGJFSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3nccnc3N)C2)C1=O ZINC001046204293 767057910 /nfs/dbraw/zinc/05/79/10/767057910.db2.gz MMQJGFITADLYQD-PXAZEXFGSA-N 1 1 344.419 0.040 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3nccnc3N)C2)C1=O ZINC001046204293 767057915 /nfs/dbraw/zinc/05/79/15/767057915.db2.gz MMQJGFITADLYQD-PXAZEXFGSA-N 1 1 344.419 0.040 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)o1)CO2 ZINC001053862604 767061017 /nfs/dbraw/zinc/06/10/17/767061017.db2.gz AXVJSBFLRYKXRV-GFCCVEGCSA-N 1 1 333.388 0.918 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001089694859 767073163 /nfs/dbraw/zinc/07/31/63/767073163.db2.gz ZNKDEXXSOXFAMR-XHSDSOJGSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn(CCOC)n1)CO2 ZINC001053867958 767079283 /nfs/dbraw/zinc/07/92/83/767079283.db2.gz YKAZMXZIERRBOL-CQSZACIVSA-N 1 1 334.420 0.679 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001089704626 767101947 /nfs/dbraw/zinc/10/19/47/767101947.db2.gz WREOPDDGXKZECA-OLZOCXBDSA-N 1 1 334.420 0.215 20 30 ECEDMO CN(C(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1)C1CC1 ZINC001046240552 767104510 /nfs/dbraw/zinc/10/45/10/767104510.db2.gz SKOYWQSBBRYWBL-KRWDZBQOSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1)C1CC1 ZINC001046240552 767104511 /nfs/dbraw/zinc/10/45/11/767104511.db2.gz SKOYWQSBBRYWBL-KRWDZBQOSA-N 1 1 329.404 0.701 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001046247369 767106663 /nfs/dbraw/zinc/10/66/63/767106663.db2.gz DTTGIURPOVDVCE-KRWDZBQOSA-N 1 1 341.419 0.989 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ncoc2C)C1 ZINC000938755905 767106878 /nfs/dbraw/zinc/10/68/78/767106878.db2.gz BNRVEYFWHNRPJJ-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ncoc2C)C1 ZINC000938755905 767106880 /nfs/dbraw/zinc/10/68/80/767106880.db2.gz BNRVEYFWHNRPJJ-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccon2)C1 ZINC000938755956 767106935 /nfs/dbraw/zinc/10/69/35/767106935.db2.gz DANDTGLIDFJWEJ-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccon2)C1 ZINC000938755956 767106937 /nfs/dbraw/zinc/10/69/37/767106937.db2.gz DANDTGLIDFJWEJ-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001089708428 767109198 /nfs/dbraw/zinc/10/91/98/767109198.db2.gz HGRSUQMFTWQCFN-ZIAGYGMSSA-N 1 1 343.493 0.813 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3coc(C)n3)C2)C1=O ZINC001046268846 767118266 /nfs/dbraw/zinc/11/82/66/767118266.db2.gz JVAOOWKEHTWKFI-RHSMWYFYSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3coc(C)n3)C2)C1=O ZINC001046268846 767118267 /nfs/dbraw/zinc/11/82/67/767118267.db2.gz JVAOOWKEHTWKFI-RHSMWYFYSA-N 1 1 332.404 0.964 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCC1=O ZINC001089768918 767149860 /nfs/dbraw/zinc/14/98/60/767149860.db2.gz FVFGBZMMDXQOHE-NXOAAHMSSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001046362723 767170433 /nfs/dbraw/zinc/17/04/33/767170433.db2.gz WFLXHRVGBBLPKQ-SFHVURJKSA-N 1 1 329.400 0.768 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)NC1=O ZINC001038590728 767176692 /nfs/dbraw/zinc/17/66/92/767176692.db2.gz BRGFLPFBAWFLHA-LSDHHAIUSA-N 1 1 327.388 0.272 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)NC1=O ZINC001038590728 767176693 /nfs/dbraw/zinc/17/66/93/767176693.db2.gz BRGFLPFBAWFLHA-LSDHHAIUSA-N 1 1 327.388 0.272 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccnn2C)[C@H](OC)C1 ZINC001212295581 767181183 /nfs/dbraw/zinc/18/11/83/767181183.db2.gz YTHGFQSMODZREO-IIAWOOMASA-N 1 1 336.436 0.542 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046392440 767191411 /nfs/dbraw/zinc/19/14/11/767191411.db2.gz DEMLULVKFJTFIP-OWCLPIDISA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046392440 767191412 /nfs/dbraw/zinc/19/14/12/767191412.db2.gz DEMLULVKFJTFIP-OWCLPIDISA-N 1 1 343.431 0.981 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001046420952 767209006 /nfs/dbraw/zinc/20/90/06/767209006.db2.gz ORFPMOAGNYUGRE-MBNYWOFBSA-N 1 1 334.338 0.937 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)c(C)nn(C)c1=O)CO2 ZINC001053889021 767228102 /nfs/dbraw/zinc/22/81/02/767228102.db2.gz YQLTVWPROISIPC-CQSZACIVSA-N 1 1 346.431 0.546 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001078283627 782612134 /nfs/dbraw/zinc/61/21/34/782612134.db2.gz GHIRZYGPHOSFJU-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C#CC2CC2)C1 ZINC001089805875 767233643 /nfs/dbraw/zinc/23/36/43/767233643.db2.gz LZCODRGMSIRYMZ-DKIMLUQUSA-N 1 1 339.443 0.897 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccnnc3C)C2)C1=O ZINC001046457037 767239146 /nfs/dbraw/zinc/23/91/46/767239146.db2.gz WNEJNJHKBSQKTI-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccnnc3C)C2)C1=O ZINC001046457037 767239148 /nfs/dbraw/zinc/23/91/48/767239148.db2.gz WNEJNJHKBSQKTI-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3coc(OC)n3)C2)C1=O ZINC001046518356 767275369 /nfs/dbraw/zinc/27/53/69/767275369.db2.gz MASKVPZRWJNVJU-GUYCJALGSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3coc(OC)n3)C2)C1=O ZINC001046518356 767275370 /nfs/dbraw/zinc/27/53/70/767275370.db2.gz MASKVPZRWJNVJU-GUYCJALGSA-N 1 1 348.403 0.664 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001046521812 767276865 /nfs/dbraw/zinc/27/68/65/767276865.db2.gz LCKTUCIRSFPGNP-OAHLLOKOSA-N 1 1 330.396 0.464 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046525776 767279289 /nfs/dbraw/zinc/27/92/89/767279289.db2.gz RZCDNUJCZBCZPP-INIZCTEOSA-N 1 1 325.453 0.620 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001046542851 767293572 /nfs/dbraw/zinc/29/35/72/767293572.db2.gz LHGIKXGHPNLJPD-APWZRJJASA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001046542851 767293573 /nfs/dbraw/zinc/29/35/73/767293573.db2.gz LHGIKXGHPNLJPD-APWZRJJASA-N 1 1 340.427 0.642 20 30 ECEDMO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001046545082 767295968 /nfs/dbraw/zinc/29/59/68/767295968.db2.gz XSNHVJGMTXSXFG-CQSZACIVSA-N 1 1 331.405 0.538 20 30 ECEDMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001046545082 767295972 /nfs/dbraw/zinc/29/59/72/767295972.db2.gz XSNHVJGMTXSXFG-CQSZACIVSA-N 1 1 331.405 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)OC)C[C@]2(C)C1 ZINC000992680886 767304986 /nfs/dbraw/zinc/30/49/86/767304986.db2.gz TWLBTDSHLUHCET-IUVQAAGXSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)OC)C[C@]2(C)C1 ZINC000992680886 767304991 /nfs/dbraw/zinc/30/49/91/767304991.db2.gz TWLBTDSHLUHCET-IUVQAAGXSA-N 1 1 347.459 0.426 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001042021548 782614835 /nfs/dbraw/zinc/61/48/35/782614835.db2.gz QPDRCJWLBTZQHF-HUUCEWRRSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001042021548 782614842 /nfs/dbraw/zinc/61/48/42/782614842.db2.gz QPDRCJWLBTZQHF-HUUCEWRRSA-N 1 1 327.856 0.994 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053905198 767316736 /nfs/dbraw/zinc/31/67/36/767316736.db2.gz YVZZHZDOPHUOIJ-HOTGVXAUSA-N 1 1 335.448 0.078 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053905198 767316742 /nfs/dbraw/zinc/31/67/42/767316742.db2.gz YVZZHZDOPHUOIJ-HOTGVXAUSA-N 1 1 335.448 0.078 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001046576211 767320669 /nfs/dbraw/zinc/32/06/69/767320669.db2.gz JJYFYJCANGALAO-CXTNEJHOSA-N 1 1 328.420 0.853 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccncc2C#N)C1 ZINC001046576107 767321224 /nfs/dbraw/zinc/32/12/24/767321224.db2.gz IOWXDFJFHSBEHB-UGQVUOCMSA-N 1 1 327.432 0.880 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000992692679 767327871 /nfs/dbraw/zinc/32/78/71/767327871.db2.gz ZTJRAGQZYJIFHT-MDZRGWNJSA-N 1 1 329.444 0.801 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001046605360 767356024 /nfs/dbraw/zinc/35/60/24/767356024.db2.gz RYYDADMKNMSIEU-IBGZPJMESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001046605360 767356030 /nfs/dbraw/zinc/35/60/30/767356030.db2.gz RYYDADMKNMSIEU-IBGZPJMESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)c1 ZINC001046605966 767356453 /nfs/dbraw/zinc/35/64/53/767356453.db2.gz ZHUCKIRSKHGKME-SFHVURJKSA-N 1 1 341.415 0.282 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cc(C(C)C)ncn1 ZINC001106155417 767393762 /nfs/dbraw/zinc/39/37/62/767393762.db2.gz YCGYRNWKKQEQJS-HOCLYGCPSA-N 1 1 345.447 0.587 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cc(C(C)C)ncn1 ZINC001106155417 767393772 /nfs/dbraw/zinc/39/37/72/767393772.db2.gz YCGYRNWKKQEQJS-HOCLYGCPSA-N 1 1 345.447 0.587 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001046633152 767404030 /nfs/dbraw/zinc/40/40/30/767404030.db2.gz NTHSKBFXEDOUTP-RJZRQDKASA-N 1 1 328.420 0.995 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001046633376 767405673 /nfs/dbraw/zinc/40/56/73/767405673.db2.gz VIJKERSBVWXWKI-GUIRCDHDSA-N 1 1 328.420 0.995 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2COC3(C[NH+](CC[C@H](C)F)C3)C2)nn1 ZINC001053950109 767434214 /nfs/dbraw/zinc/43/42/14/767434214.db2.gz UWQMSHAHHLZDNE-QWHCGFSZSA-N 1 1 337.399 0.785 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001046677510 767464033 /nfs/dbraw/zinc/46/40/33/767464033.db2.gz BMOAHHKAMRGQAY-UGSOOPFHSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001046677510 767464036 /nfs/dbraw/zinc/46/40/36/767464036.db2.gz BMOAHHKAMRGQAY-UGSOOPFHSA-N 1 1 329.400 0.767 20 30 ECEDMO Cc1cc(NC[C@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)c(C#N)cn1 ZINC001106165427 767465742 /nfs/dbraw/zinc/46/57/42/767465742.db2.gz MSQDLQNGMJIOQL-GOEBONIOSA-N 1 1 331.420 0.057 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1c(C)cc(C)nc1=O)CO2 ZINC001053965934 767477184 /nfs/dbraw/zinc/47/71/84/767477184.db2.gz KWXLDOIDULUBMD-HNNXBMFYSA-N 1 1 346.431 0.396 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)CO2 ZINC001053966688 767480159 /nfs/dbraw/zinc/48/01/59/767480159.db2.gz IHRGGGKRPZVUNR-CYBMUJFWSA-N 1 1 332.404 0.653 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001046690522 767487597 /nfs/dbraw/zinc/48/75/97/767487597.db2.gz VZIJNXINOHZLBM-WMLDXEAASA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001046690522 767487604 /nfs/dbraw/zinc/48/76/04/767487604.db2.gz VZIJNXINOHZLBM-WMLDXEAASA-N 1 1 346.435 0.327 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)C1 ZINC000992730895 767515842 /nfs/dbraw/zinc/51/58/42/767515842.db2.gz NKROGNLEWGJJBO-GJYPPUQNSA-N 1 1 345.443 0.037 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)C1 ZINC000992730895 767515844 /nfs/dbraw/zinc/51/58/44/767515844.db2.gz NKROGNLEWGJJBO-GJYPPUQNSA-N 1 1 345.443 0.037 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCN(C(C)=O)C1)CO2 ZINC001053994762 767551488 /nfs/dbraw/zinc/55/14/88/767551488.db2.gz LSMYSWQJRPHCSK-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nccnc1C(N)=O)CO2 ZINC001054002878 767568305 /nfs/dbraw/zinc/56/83/05/767568305.db2.gz KAIADINOZRXTTI-GFCCVEGCSA-N 1 1 345.403 0.115 20 30 ECEDMO Cn1cc(C[N@H+](C)C[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001017106463 767595244 /nfs/dbraw/zinc/59/52/44/767595244.db2.gz HVMBHTLBMPFIOF-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001017106463 767595248 /nfs/dbraw/zinc/59/52/48/767595248.db2.gz HVMBHTLBMPFIOF-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017125793 767627916 /nfs/dbraw/zinc/62/79/16/767627916.db2.gz FSGFCWULOXHYIR-DZGCQCFKSA-N 1 1 330.436 0.855 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017125793 767627920 /nfs/dbraw/zinc/62/79/20/767627920.db2.gz FSGFCWULOXHYIR-DZGCQCFKSA-N 1 1 330.436 0.855 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054048990 767647990 /nfs/dbraw/zinc/64/79/90/767647990.db2.gz NQCMACLZVPRTOP-JKSUJKDBSA-N 1 1 328.416 0.739 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054048990 767647995 /nfs/dbraw/zinc/64/79/95/767647995.db2.gz NQCMACLZVPRTOP-JKSUJKDBSA-N 1 1 328.416 0.739 20 30 ECEDMO C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001054050591 767649914 /nfs/dbraw/zinc/64/99/14/767649914.db2.gz GWTZXLNPQFAPLA-HZPDHXFCSA-N 1 1 328.416 0.787 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001060476383 767686443 /nfs/dbraw/zinc/68/64/43/767686443.db2.gz JUBBRWWXEGNECW-DHWSYENGSA-N 1 1 325.416 0.702 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C(C)C)C[C@@H](C)O2 ZINC001111533196 767714054 /nfs/dbraw/zinc/71/40/54/767714054.db2.gz FMUSPKDTXGDPDZ-OAHLLOKOSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCS1(=O)=O)C2 ZINC001054144338 767738821 /nfs/dbraw/zinc/73/88/21/767738821.db2.gz TYOUAGRUMWQMMH-WBVHZDCISA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCS1(=O)=O)C2 ZINC001054144338 767738823 /nfs/dbraw/zinc/73/88/23/767738823.db2.gz TYOUAGRUMWQMMH-WBVHZDCISA-N 1 1 338.473 0.901 20 30 ECEDMO N#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001054168720 767765642 /nfs/dbraw/zinc/76/56/42/767765642.db2.gz HTJJNLXCMANNMQ-DPCKTDSQSA-N 1 1 344.459 0.688 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054188324 767788096 /nfs/dbraw/zinc/78/80/96/767788096.db2.gz LWRUXSFYKKREBZ-SFHVURJKSA-N 1 1 344.390 0.997 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054188324 767788100 /nfs/dbraw/zinc/78/81/00/767788100.db2.gz LWRUXSFYKKREBZ-SFHVURJKSA-N 1 1 344.390 0.997 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@@]2(CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001054188456 767788229 /nfs/dbraw/zinc/78/82/29/767788229.db2.gz NOWUYVSDTHDIOP-IBGZPJMESA-N 1 1 325.412 0.838 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@]2(CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001054188650 767789858 /nfs/dbraw/zinc/78/98/58/767789858.db2.gz QIAOXYXUPYTMTI-LJQANCHMSA-N 1 1 343.402 0.977 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCS(=O)(=O)C1)C2 ZINC001054206164 767803143 /nfs/dbraw/zinc/80/31/43/767803143.db2.gz GKVLXFCSSLBOPH-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCS(=O)(=O)C1)C2 ZINC001054206164 767803151 /nfs/dbraw/zinc/80/31/51/767803151.db2.gz GKVLXFCSSLBOPH-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)NC(=O)C1(C)C)C2 ZINC001054223825 767829365 /nfs/dbraw/zinc/82/93/65/767829365.db2.gz JGPQFBVFCFTNNC-GOSISDBHSA-N 1 1 346.431 0.265 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](CC(=O)NC)C3)C2)nc1 ZINC001054229122 767837147 /nfs/dbraw/zinc/83/71/47/767837147.db2.gz KSVAEYHUMFROPS-IBGZPJMESA-N 1 1 340.427 0.737 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2nccnc2C#N)C1 ZINC001106540131 768419873 /nfs/dbraw/zinc/41/98/73/768419873.db2.gz WZXVIZFNJRYCQL-DZGCQCFKSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2nccnc2C#N)C1 ZINC001106540131 768419876 /nfs/dbraw/zinc/41/98/76/768419876.db2.gz WZXVIZFNJRYCQL-DZGCQCFKSA-N 1 1 346.435 0.764 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993202532 768454349 /nfs/dbraw/zinc/45/43/49/768454349.db2.gz AMPXCUDTRWGCFU-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993202532 768454355 /nfs/dbraw/zinc/45/43/55/768454355.db2.gz AMPXCUDTRWGCFU-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001106623361 768523528 /nfs/dbraw/zinc/52/35/28/768523528.db2.gz CQMOXDRHUULHBA-KBPBESRZSA-N 1 1 330.436 0.951 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@H]21 ZINC001042053406 782684600 /nfs/dbraw/zinc/68/46/00/782684600.db2.gz ZKNQWJSSEUJDQX-GOEBONIOSA-N 1 1 331.420 0.484 20 30 ECEDMO CCN(CCNc1snc(C)c1C#N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001106709736 768695904 /nfs/dbraw/zinc/69/59/04/768695904.db2.gz CJBQJQQXNIREPD-ZDUSSCGKSA-N 1 1 337.449 0.914 20 30 ECEDMO CCN(CCNc1snc(C)c1C#N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001106709736 768695908 /nfs/dbraw/zinc/69/59/08/768695908.db2.gz CJBQJQQXNIREPD-ZDUSSCGKSA-N 1 1 337.449 0.914 20 30 ECEDMO C=CCOCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001055271839 768728300 /nfs/dbraw/zinc/72/83/00/768728300.db2.gz WLKJDQUKUHBMIY-YESZJQIVSA-N 1 1 349.475 0.838 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001055294124 768747834 /nfs/dbraw/zinc/74/78/34/768747834.db2.gz IHNGSNZTJHAMAU-KBXIAJHMSA-N 1 1 326.404 0.668 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001055305570 768762787 /nfs/dbraw/zinc/76/27/87/768762787.db2.gz OGULBFALGSDGSZ-CYJAXWMASA-N 1 1 349.475 0.715 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055338565 768795192 /nfs/dbraw/zinc/79/51/92/768795192.db2.gz VQEPWTMRLLOIMD-ZACQAIPSSA-N 1 1 347.459 0.285 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000993344784 768818060 /nfs/dbraw/zinc/81/80/60/768818060.db2.gz FACNUTBPAWZYAG-IYOUNJFTSA-N 1 1 332.448 0.937 20 30 ECEDMO C=CCCO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(F)F)CC1 ZINC001055478899 768898673 /nfs/dbraw/zinc/89/86/73/768898673.db2.gz DAXMWIDDLSMFTO-GFCCVEGCSA-N 1 1 347.406 0.930 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC000993370492 768898904 /nfs/dbraw/zinc/89/89/04/768898904.db2.gz WEIHFMUIQUKWNS-KBPBESRZSA-N 1 1 332.452 0.963 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC000993371060 768899898 /nfs/dbraw/zinc/89/98/98/768899898.db2.gz YFVGYKCVRGNFGQ-CHWSQXEVSA-N 1 1 334.424 0.312 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2cccnc2)CC1 ZINC001055500490 768952485 /nfs/dbraw/zinc/95/24/85/768952485.db2.gz GONRHROMCBZCEZ-UHFFFAOYSA-N 1 1 340.427 0.805 20 30 ECEDMO CCN(CCNc1nccnc1C#N)C(=O)CC[NH+]1CCOCC1 ZINC001106798339 769019593 /nfs/dbraw/zinc/01/95/93/769019593.db2.gz ZAFGOQZKTFUGAM-UHFFFAOYSA-N 1 1 332.408 0.331 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2ccon2)CC1 ZINC001055532099 769028843 /nfs/dbraw/zinc/02/88/43/769028843.db2.gz XCRHYQYVIDRYDC-UHFFFAOYSA-N 1 1 330.388 0.398 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001055539576 769056168 /nfs/dbraw/zinc/05/61/68/769056168.db2.gz BCTMOJMVHYGPNO-UHFFFAOYSA-N 1 1 348.491 0.745 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccon3)C2)CC1 ZINC001018359502 769189790 /nfs/dbraw/zinc/18/97/90/769189790.db2.gz HUIQHMRGGMKPPC-OAHLLOKOSA-N 1 1 344.415 0.694 20 30 ECEDMO Cc1nonc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055596023 769214697 /nfs/dbraw/zinc/21/46/97/769214697.db2.gz OPDDULQDWAHYKE-UHFFFAOYSA-N 1 1 345.403 0.102 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042084026 782732794 /nfs/dbraw/zinc/73/27/94/782732794.db2.gz LLILBCLWANCYJJ-UMVBOHGHSA-N 1 1 328.420 0.631 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H]1C ZINC000993527548 769227813 /nfs/dbraw/zinc/22/78/13/769227813.db2.gz JDPXUPUOEPOGMD-KGLIPLIRSA-N 1 1 342.403 0.926 20 30 ECEDMO Cc1n[nH]cc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC001055607285 769245251 /nfs/dbraw/zinc/24/52/51/769245251.db2.gz XKTFRUXIKZRJHP-UHFFFAOYSA-N 1 1 345.447 0.688 20 30 ECEDMO Cc1nc(C(=O)NC2CC[NH+](CCNC(=O)[C@@H](C)C#N)CC2)co1 ZINC001055629606 769297140 /nfs/dbraw/zinc/29/71/40/769297140.db2.gz FKPWZNGRQWOMQD-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000993583925 769299262 /nfs/dbraw/zinc/29/92/62/769299262.db2.gz YSGRSKSONMGZIU-CABCVRRESA-N 1 1 335.448 0.779 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001055631665 769303478 /nfs/dbraw/zinc/30/34/78/769303478.db2.gz JTBMZHFSSVWGSG-AWEZNQCLSA-N 1 1 349.479 0.327 20 30 ECEDMO Cc1nocc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC001055632010 769305241 /nfs/dbraw/zinc/30/52/41/769305241.db2.gz OCQOQDUEOUKKQE-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H]1C ZINC000993607990 769354259 /nfs/dbraw/zinc/35/42/59/769354259.db2.gz VALRGRRFAPTUHI-OCCSQVGLSA-N 1 1 326.404 0.969 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H]1C ZINC000993607990 769354269 /nfs/dbraw/zinc/35/42/69/769354269.db2.gz VALRGRRFAPTUHI-OCCSQVGLSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC000993654212 769431755 /nfs/dbraw/zinc/43/17/55/769431755.db2.gz BLLSVXBXOKOFRS-ZIAGYGMSSA-N 1 1 327.388 0.098 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H]1C ZINC000993633279 769445416 /nfs/dbraw/zinc/44/54/16/769445416.db2.gz OUADAVWZVFKPJF-GXTWGEPZSA-N 1 1 327.392 0.826 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC000993669841 769456623 /nfs/dbraw/zinc/45/66/23/769456623.db2.gz KVGDCQHMQBFXJM-ZYHUDNBSSA-N 1 1 330.396 0.463 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000993683262 769475120 /nfs/dbraw/zinc/47/51/20/769475120.db2.gz ABVSGALXWCEKPI-WFASDCNBSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993683262 769475124 /nfs/dbraw/zinc/47/51/24/769475124.db2.gz ABVSGALXWCEKPI-WFASDCNBSA-N 1 1 339.403 0.865 20 30 ECEDMO CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)nn1 ZINC001078358069 782766916 /nfs/dbraw/zinc/76/69/16/782766916.db2.gz IRAAMYKUNYPCJM-DZGCQCFKSA-N 1 1 334.424 0.726 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@@H]21 ZINC001042100892 782768044 /nfs/dbraw/zinc/76/80/44/782768044.db2.gz PSAGYBVWWZXNAS-ZBFHGGJFSA-N 1 1 328.416 0.973 20 30 ECEDMO CCCCn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078358433 782768136 /nfs/dbraw/zinc/76/81/36/782768136.db2.gz PPLMHXCROFRKLS-KBPBESRZSA-N 1 1 349.439 0.340 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001018743032 769841989 /nfs/dbraw/zinc/84/19/89/769841989.db2.gz DSFLYYGMUCSBMC-DLBZAZTESA-N 1 1 346.406 0.718 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC001055824054 769859653 /nfs/dbraw/zinc/85/96/53/769859653.db2.gz XOGVXNHPEJRUGZ-UHFFFAOYSA-N 1 1 325.376 0.510 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)c(C)n3)CC2)C1 ZINC001055824684 769863135 /nfs/dbraw/zinc/86/31/35/769863135.db2.gz AUYNYFJATRLLPH-MRXNPFEDSA-N 1 1 343.431 0.631 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)c(C)n3)CC2)C1 ZINC001055824684 769863145 /nfs/dbraw/zinc/86/31/45/769863145.db2.gz AUYNYFJATRLLPH-MRXNPFEDSA-N 1 1 343.431 0.631 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)[C@@H]2C)nn1 ZINC000993955791 769888049 /nfs/dbraw/zinc/88/80/49/769888049.db2.gz XIWUJJQBASUQQN-ZIAGYGMSSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)nn1 ZINC000993955791 769888063 /nfs/dbraw/zinc/88/80/63/769888063.db2.gz XIWUJJQBASUQQN-ZIAGYGMSSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055836721 769914815 /nfs/dbraw/zinc/91/48/15/769914815.db2.gz DREVGPDSRDYASZ-RDTXWAMCSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)[C@H]2C)nn1 ZINC000993951272 769935619 /nfs/dbraw/zinc/93/56/19/769935619.db2.gz OCGXIXJTCCMKJL-UONOGXRCSA-N 1 1 344.423 0.339 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001018791785 769946421 /nfs/dbraw/zinc/94/64/21/769946421.db2.gz BIUQUCKTHNDLII-KBPBESRZSA-N 1 1 332.335 0.496 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H]1C ZINC000993990081 769971450 /nfs/dbraw/zinc/97/14/50/769971450.db2.gz QHKNYXXEUROIPP-GJZGRUSLSA-N 1 1 346.435 0.171 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCO[C@@H](C[NH2+]Cc3nncs3)C2)c1 ZINC001078369285 782793920 /nfs/dbraw/zinc/79/39/20/782793920.db2.gz JDRNUNOKYAWMDE-LBPRGKRZSA-N 1 1 346.416 0.759 20 30 ECEDMO Cn1ncc2c1nc(C[NH2+][C@H]1CCN(C(=O)C#CC3CC3)C1)[nH]c2=O ZINC001018827192 770018397 /nfs/dbraw/zinc/01/83/97/770018397.db2.gz PLICOWYROIAFAQ-LBPRGKRZSA-N 1 1 340.387 0.173 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 ZINC001042121944 782806409 /nfs/dbraw/zinc/80/64/09/782806409.db2.gz KLBATYWVMLYZGJ-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055953623 770348844 /nfs/dbraw/zinc/34/88/44/770348844.db2.gz GYGHIZKWTHEJFS-MAUKXSAKSA-N 1 1 337.464 0.764 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001055954346 770352296 /nfs/dbraw/zinc/35/22/96/770352296.db2.gz RCCVDYRAUPDRTG-VQIMIIECSA-N 1 1 349.475 0.601 20 30 ECEDMO COCC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(=O)NCC1CC1 ZINC001099285947 770354358 /nfs/dbraw/zinc/35/43/58/770354358.db2.gz LEWRLOLJBNTYLL-INIZCTEOSA-N 1 1 349.475 0.769 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(=O)NCC1CC1 ZINC001099285947 770354369 /nfs/dbraw/zinc/35/43/69/770354369.db2.gz LEWRLOLJBNTYLL-INIZCTEOSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046927334 770380332 /nfs/dbraw/zinc/38/03/32/770380332.db2.gz XIDWFNMDNOGCHW-UONOGXRCSA-N 1 1 331.407 0.967 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001055992148 770480926 /nfs/dbraw/zinc/48/09/26/770480926.db2.gz SKIJLGDVFUIQFV-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001055992148 770480929 /nfs/dbraw/zinc/48/09/29/770480929.db2.gz SKIJLGDVFUIQFV-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001056017744 770563896 /nfs/dbraw/zinc/56/38/96/770563896.db2.gz RRJSJXIFCKQLLA-UHFFFAOYSA-N 1 1 328.420 0.729 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)c2cc(C#N)c[nH]2)C3)C1 ZINC001019037737 770622264 /nfs/dbraw/zinc/62/22/64/770622264.db2.gz AEULBMPWSPXUQX-CQSZACIVSA-N 1 1 341.415 0.513 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001083751183 770680468 /nfs/dbraw/zinc/68/04/68/770680468.db2.gz JZRGGFGOUANCPS-CVEARBPZSA-N 1 1 335.448 0.517 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001083751183 770680472 /nfs/dbraw/zinc/68/04/72/770680472.db2.gz JZRGGFGOUANCPS-CVEARBPZSA-N 1 1 335.448 0.517 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2O)CC1 ZINC001083751370 770681793 /nfs/dbraw/zinc/68/17/93/770681793.db2.gz STAUEJMBXUIITD-ZACQAIPSSA-N 1 1 348.447 0.152 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001056059435 770705880 /nfs/dbraw/zinc/70/58/80/770705880.db2.gz NYDRYNQAKHNVNP-LPHOPBHVSA-N 1 1 349.475 0.600 20 30 ECEDMO CC(C)n1cc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCCO2)nn1 ZINC001078397934 782868615 /nfs/dbraw/zinc/86/86/15/782868615.db2.gz HZNMGGKMTMQPAN-KRWDZBQOSA-N 1 1 345.447 0.980 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001056097865 770821027 /nfs/dbraw/zinc/82/10/27/770821027.db2.gz WUFUVRAQZDIGMR-DYVFJYSZSA-N 1 1 336.436 0.100 20 30 ECEDMO CCc1nc(C#N)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001056150559 770939799 /nfs/dbraw/zinc/93/97/99/770939799.db2.gz SUFYQLKPLGGRNS-QDEZUTFSSA-N 1 1 340.431 0.556 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001031419316 771039257 /nfs/dbraw/zinc/03/92/57/771039257.db2.gz WVPLPKUFFXVNIO-KRWDZBQOSA-N 1 1 346.406 0.718 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001031419316 771039264 /nfs/dbraw/zinc/03/92/64/771039264.db2.gz WVPLPKUFFXVNIO-KRWDZBQOSA-N 1 1 346.406 0.718 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(C[C@H]3CCO[C@@H](C)C3)C2)CC1 ZINC001031434957 771069637 /nfs/dbraw/zinc/06/96/37/771069637.db2.gz LEBDVUFVDISWTM-HOTGVXAUSA-N 1 1 333.476 0.947 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC(C)(C)C1 ZINC001089408368 771084738 /nfs/dbraw/zinc/08/47/38/771084738.db2.gz GORRDZWRZBJMLL-OLZOCXBDSA-N 1 1 336.436 0.767 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H](C)C#N)C3)C1 ZINC001019316347 771145217 /nfs/dbraw/zinc/14/52/17/771145217.db2.gz LMUJHYJYWQWPFU-HUUCEWRRSA-N 1 1 348.447 0.316 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001019317239 771146751 /nfs/dbraw/zinc/14/67/51/771146751.db2.gz WFROENAVROJZHM-AWEZNQCLSA-N 1 1 330.363 0.653 20 30 ECEDMO CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C#CC(C)C ZINC001212234310 771175106 /nfs/dbraw/zinc/17/51/06/771175106.db2.gz WHSGSAOFTDBTGJ-HUUCEWRRSA-N 1 1 334.420 0.785 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C#CC(C)C ZINC001212234310 771175109 /nfs/dbraw/zinc/17/51/09/771175109.db2.gz WHSGSAOFTDBTGJ-HUUCEWRRSA-N 1 1 334.420 0.785 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)c1 ZINC001019357142 771197022 /nfs/dbraw/zinc/19/70/22/771197022.db2.gz XFBMPKLDNMGHIK-AWEZNQCLSA-N 1 1 337.387 0.389 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3CCC)C2)c1 ZINC001019357416 771197996 /nfs/dbraw/zinc/19/79/96/771197996.db2.gz FLSYLBVIZWQQDL-HNNXBMFYSA-N 1 1 339.403 0.464 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)C1 ZINC001019364320 771207516 /nfs/dbraw/zinc/20/75/16/771207516.db2.gz CEEPWBQAKWAKNG-LSDHHAIUSA-N 1 1 348.447 0.316 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)C1 ZINC001019364320 771207517 /nfs/dbraw/zinc/20/75/17/771207517.db2.gz CEEPWBQAKWAKNG-LSDHHAIUSA-N 1 1 348.447 0.316 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC(C)(C)C1 ZINC001089448286 771209016 /nfs/dbraw/zinc/20/90/16/771209016.db2.gz NZHRLBVTDGGZTF-HIFRSBDPSA-N 1 1 343.431 0.606 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001056412619 771245447 /nfs/dbraw/zinc/24/54/47/771245447.db2.gz KGTPIKLPVQQHRP-CVGURMSBSA-N 1 1 326.404 0.383 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001042188301 782909708 /nfs/dbraw/zinc/90/97/08/782909708.db2.gz RSXJYCYXNFDCIL-HOTGVXAUSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1csnn1 ZINC001077552657 771308063 /nfs/dbraw/zinc/30/80/63/771308063.db2.gz ILBCFPVNYMGWDS-AAEUAGOBSA-N 1 1 335.433 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1csnn1 ZINC001077552657 771308066 /nfs/dbraw/zinc/30/80/66/771308066.db2.gz ILBCFPVNYMGWDS-AAEUAGOBSA-N 1 1 335.433 0.260 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(CC#Cc3ccccc3)C2)C1 ZINC001031595393 771365975 /nfs/dbraw/zinc/36/59/75/771365975.db2.gz WSACVLJRLSRCQA-SFHVURJKSA-N 1 1 327.428 0.417 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(CC#Cc3ccccc3)C2)C1 ZINC001031595393 771365977 /nfs/dbraw/zinc/36/59/77/771365977.db2.gz WSACVLJRLSRCQA-SFHVURJKSA-N 1 1 327.428 0.417 20 30 ECEDMO C[C@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031602788 771386896 /nfs/dbraw/zinc/38/68/96/771386896.db2.gz RQAPWAKHPYFESY-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC(C)(C)C1 ZINC001089542230 771430853 /nfs/dbraw/zinc/43/08/53/771430853.db2.gz RWHCQEKGELORQX-LBPRGKRZSA-N 1 1 344.419 0.824 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC(C)(C)C2)nc1 ZINC001089543938 771438162 /nfs/dbraw/zinc/43/81/62/771438162.db2.gz JWHMRALHZBZIMK-CQSZACIVSA-N 1 1 328.416 0.769 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001056628046 771445704 /nfs/dbraw/zinc/44/57/04/771445704.db2.gz CFTLDPBYXCGWAV-YESZJQIVSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001056631677 771450823 /nfs/dbraw/zinc/45/08/23/771450823.db2.gz KRVNEIDWNCHPLY-ARFHVFGLSA-N 1 1 335.448 0.733 20 30 ECEDMO CC(C)N1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001031619417 771468103 /nfs/dbraw/zinc/46/81/03/771468103.db2.gz WJLQZSLWSSMQGJ-OAHLLOKOSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC(C)(C)C1 ZINC001089555883 771473578 /nfs/dbraw/zinc/47/35/78/771473578.db2.gz NLXMDARXHGJSFN-ZDUSSCGKSA-N 1 1 334.420 0.168 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)CC(C)(C)C1 ZINC001089558207 771481547 /nfs/dbraw/zinc/48/15/47/771481547.db2.gz FUUNQWPFCQFKEV-AWEZNQCLSA-N 1 1 340.431 0.907 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC001056666659 771490369 /nfs/dbraw/zinc/49/03/69/771490369.db2.gz WXVIQCSECLUHGE-MWDXBVQZSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001056668581 771493965 /nfs/dbraw/zinc/49/39/65/771493965.db2.gz ANQBPADHRCGJSD-YESZJQIVSA-N 1 1 347.459 0.427 20 30 ECEDMO CC(C)(C)N1CC[C@@H]([NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001031622829 771502465 /nfs/dbraw/zinc/50/24/65/771502465.db2.gz JFFNZOUNTHJNOX-OAHLLOKOSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccnc4c3nnn4C)C[C@@H]21 ZINC001042201979 782931011 /nfs/dbraw/zinc/93/10/11/782931011.db2.gz SZGCOYFQVDCKCO-HIFRSBDPSA-N 1 1 338.415 0.923 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccnc4c3nnn4C)C[C@H]21 ZINC001042201980 782931306 /nfs/dbraw/zinc/93/13/06/782931306.db2.gz SZGCOYFQVDCKCO-UKRRQHHQSA-N 1 1 338.415 0.923 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCCOCC3)C2)C1=O ZINC001031641607 771574944 /nfs/dbraw/zinc/57/49/44/771574944.db2.gz VPGIBDNADRKWHN-JKSUJKDBSA-N 1 1 335.448 0.638 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042210502 782943049 /nfs/dbraw/zinc/94/30/49/782943049.db2.gz JYFFQYMNQLLZID-ZFWWWQNUSA-N 1 1 342.399 0.475 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042210502 782943053 /nfs/dbraw/zinc/94/30/53/782943053.db2.gz JYFFQYMNQLLZID-ZFWWWQNUSA-N 1 1 342.399 0.475 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)cc1F ZINC001042210469 782943201 /nfs/dbraw/zinc/94/32/01/782943201.db2.gz JPXUSLPYWWTSOT-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)cc1F ZINC001042210469 782943204 /nfs/dbraw/zinc/94/32/04/782943204.db2.gz JPXUSLPYWWTSOT-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)cn3)C2)C1 ZINC001056930153 771821776 /nfs/dbraw/zinc/82/17/76/771821776.db2.gz DEIXPFCDVWMMJL-HZPDHXFCSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)cn3)C2)C1 ZINC001056930153 771821781 /nfs/dbraw/zinc/82/17/81/771821781.db2.gz DEIXPFCDVWMMJL-HZPDHXFCSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(c1ncccc1C#N)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056940463 771837234 /nfs/dbraw/zinc/83/72/34/771837234.db2.gz RIJPWMYIGXTFMP-INIZCTEOSA-N 1 1 343.431 0.713 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056942418 771840302 /nfs/dbraw/zinc/84/03/02/771840302.db2.gz XTEZQEHHOLGNEF-UONOGXRCSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 ZINC001057027616 771963816 /nfs/dbraw/zinc/96/38/16/771963816.db2.gz LVCNXYQXQHBFBT-KGLIPLIRSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2ccnc(C)n2)C1 ZINC001057060199 772013672 /nfs/dbraw/zinc/01/36/72/772013672.db2.gz GWAKANRFEZAZNY-HOTGVXAUSA-N 1 1 327.432 0.920 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2ccnc(C)n2)C1 ZINC001057060199 772013678 /nfs/dbraw/zinc/01/36/78/772013678.db2.gz GWAKANRFEZAZNY-HOTGVXAUSA-N 1 1 327.432 0.920 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]21 ZINC001042243958 782976353 /nfs/dbraw/zinc/97/63/53/782976353.db2.gz UZSIAGXCLXTXGV-ZFWWWQNUSA-N 1 1 328.416 0.521 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)on2)[C@H]1C ZINC001020039543 772101119 /nfs/dbraw/zinc/10/11/19/772101119.db2.gz ORZYEMQIXDBBHI-DZKIICNBSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)on2)[C@H]1C ZINC001020039543 772101122 /nfs/dbraw/zinc/10/11/22/772101122.db2.gz ORZYEMQIXDBBHI-DZKIICNBSA-N 1 1 344.415 0.800 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C3CC3)C2)[nH]1 ZINC001020085427 772139293 /nfs/dbraw/zinc/13/92/93/772139293.db2.gz UDDMTNICCMXXDM-XYPYZODXSA-N 1 1 326.364 0.258 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)nc1 ZINC001020126896 772191924 /nfs/dbraw/zinc/19/19/24/772191924.db2.gz LFIVYMNIXHOFQX-JLJPHGGASA-N 1 1 340.427 0.876 20 30 ECEDMO C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001057196367 772256297 /nfs/dbraw/zinc/25/62/97/772256297.db2.gz FDGHPFYUYAXFDR-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CCC[C@@H]1C)NC(=O)c1cc(C#N)c[nH]1 ZINC001078465694 782997721 /nfs/dbraw/zinc/99/77/21/782997721.db2.gz HJFRCNQNQSEYNK-STQMWFEESA-N 1 1 331.420 0.995 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001057210270 772282594 /nfs/dbraw/zinc/28/25/94/772282594.db2.gz CJWUMTHILVQLKV-HUUCEWRRSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057234439 772318663 /nfs/dbraw/zinc/31/86/63/772318663.db2.gz CHJMAKAKLKYGGO-DZGCQCFKSA-N 1 1 328.420 0.585 20 30 ECEDMO Cc1cc(C#N)nc(N2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001057234941 772318964 /nfs/dbraw/zinc/31/89/64/772318964.db2.gz WIBHPBNXSKRDTR-BBRMVZONSA-N 1 1 342.447 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncc[nH]2)[C@H]1C ZINC001020245022 772342506 /nfs/dbraw/zinc/34/25/06/772342506.db2.gz SLUAWLJNDHSKRJ-IHRRRGAJSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncc[nH]2)[C@H]1C ZINC001020245022 772342509 /nfs/dbraw/zinc/34/25/09/772342509.db2.gz SLUAWLJNDHSKRJ-IHRRRGAJSA-N 1 1 329.404 0.227 20 30 ECEDMO C[N@@H+](CC(=O)N1CCCN(c2cncc(C#N)n2)CC1)C1CCC1 ZINC001057252849 772347441 /nfs/dbraw/zinc/34/74/41/772347441.db2.gz TWRALAOWDQOMGY-UHFFFAOYSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H](C)c2csnn2)C1 ZINC001020250701 772350511 /nfs/dbraw/zinc/35/05/11/772350511.db2.gz LRWSXLWXXJQGDH-BHPKHCPMSA-N 1 1 333.461 0.934 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H](C)c2csnn2)C1 ZINC001020250701 772350518 /nfs/dbraw/zinc/35/05/18/772350518.db2.gz LRWSXLWXXJQGDH-BHPKHCPMSA-N 1 1 333.461 0.934 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)c1 ZINC001020272549 772383632 /nfs/dbraw/zinc/38/36/32/772383632.db2.gz QICJVHGGDKGMJR-QRTARXTBSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCN1CC[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21 ZINC001042268224 783011333 /nfs/dbraw/zinc/01/13/33/783011333.db2.gz ZQUQXGBURFFVRY-WBVHZDCISA-N 1 1 329.448 0.614 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC)[C@@H]3C2)nn1 ZINC001042267874 783011348 /nfs/dbraw/zinc/01/13/48/783011348.db2.gz XMMCMRZLMOLVSZ-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC)[C@@H]3C2)nn1 ZINC001042267874 783011353 /nfs/dbraw/zinc/01/13/53/783011353.db2.gz XMMCMRZLMOLVSZ-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001078472050 783015546 /nfs/dbraw/zinc/01/55/46/783015546.db2.gz MPSFAKVSUBYWON-OAGGEKHMSA-N 1 1 346.431 0.775 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001057390711 772559241 /nfs/dbraw/zinc/55/92/41/772559241.db2.gz MFOLIBIIILJBMY-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(Nc3cncc(C#N)n3)CC2)O1 ZINC001057452715 772634541 /nfs/dbraw/zinc/63/45/41/772634541.db2.gz WIOOLWMWEZANDF-IUODEOHRSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(Nc3cncc(C#N)n3)CC2)O1 ZINC001057452715 772634545 /nfs/dbraw/zinc/63/45/45/772634545.db2.gz WIOOLWMWEZANDF-IUODEOHRSA-N 1 1 344.419 0.470 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(CNc3cnc(C#N)cn3)CC2)C1 ZINC001057501661 772690459 /nfs/dbraw/zinc/69/04/59/772690459.db2.gz PELNWBIQVJWBDS-AWEZNQCLSA-N 1 1 328.420 0.950 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(CNc2ccnc(C#N)n2)CC1 ZINC001057501693 772690671 /nfs/dbraw/zinc/69/06/71/772690671.db2.gz QPGOIURUWFLZFN-UHFFFAOYSA-N 1 1 339.403 0.626 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(CNc3nccnc3C#N)CC2)C1 ZINC001057502042 772691008 /nfs/dbraw/zinc/69/10/08/772691008.db2.gz ZEUOYOBJDQTORT-CQSZACIVSA-N 1 1 328.420 0.950 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N ZINC001057570254 772766292 /nfs/dbraw/zinc/76/62/92/772766292.db2.gz LUTPQRJTAHNHAK-HUUCEWRRSA-N 1 1 338.452 0.346 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057719022 772942745 /nfs/dbraw/zinc/94/27/45/772942745.db2.gz YNLGHJYLQYZKCT-JKSUJKDBSA-N 1 1 337.464 0.907 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057811846 773014455 /nfs/dbraw/zinc/01/44/55/773014455.db2.gz IARVYYCVEGMLBT-CJNGLKHVSA-N 1 1 342.447 0.879 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057864397 773091701 /nfs/dbraw/zinc/09/17/01/773091701.db2.gz QIEBDFRDXCBRGO-MRXNPFEDSA-N 1 1 335.448 0.211 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001057903639 773164901 /nfs/dbraw/zinc/16/49/01/773164901.db2.gz RRCDOFPADBMBAT-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CCN(c3cnc(C#N)cn3)CC2)CC[N@H+]1C ZINC001057965106 773298104 /nfs/dbraw/zinc/29/81/04/773298104.db2.gz ZUTWYTAZPLWFBQ-IUODEOHRSA-N 1 1 328.420 0.773 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040614420 783103733 /nfs/dbraw/zinc/10/37/33/783103733.db2.gz ZBOLOADEHRYEPT-GOSISDBHSA-N 1 1 346.431 0.465 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058110988 773554068 /nfs/dbraw/zinc/55/40/68/773554068.db2.gz FHHQTJKJSLFPGR-UHFFFAOYSA-N 1 1 334.420 0.178 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058134536 773604253 /nfs/dbraw/zinc/60/42/53/773604253.db2.gz HNIUHVBPZCTFLO-GJZGRUSLSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058134536 773604261 /nfs/dbraw/zinc/60/42/61/773604261.db2.gz HNIUHVBPZCTFLO-GJZGRUSLSA-N 1 1 329.404 0.369 20 30 ECEDMO Cc1nc(N2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001058134998 773605580 /nfs/dbraw/zinc/60/55/80/773605580.db2.gz UDMPRKMBBGQECD-JKSUJKDBSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1nc(N2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001058134998 773605583 /nfs/dbraw/zinc/60/55/83/773605583.db2.gz UDMPRKMBBGQECD-JKSUJKDBSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058167697 773683705 /nfs/dbraw/zinc/68/37/05/773683705.db2.gz JOFPCCHQFGNQBZ-DOTOQJQBSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058167697 773683711 /nfs/dbraw/zinc/68/37/11/773683711.db2.gz JOFPCCHQFGNQBZ-DOTOQJQBSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058167493 773683998 /nfs/dbraw/zinc/68/39/98/773683998.db2.gz DXNSTEWTPNHAOA-HUUCEWRRSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058167493 773684002 /nfs/dbraw/zinc/68/40/02/773684002.db2.gz DXNSTEWTPNHAOA-HUUCEWRRSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058167850 773684396 /nfs/dbraw/zinc/68/43/96/773684396.db2.gz NCNFXQQIFNLTHW-WBVHZDCISA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058167850 773684398 /nfs/dbraw/zinc/68/43/98/773684398.db2.gz NCNFXQQIFNLTHW-WBVHZDCISA-N 1 1 343.431 0.759 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001058211372 773781787 /nfs/dbraw/zinc/78/17/87/773781787.db2.gz AJSGEUWHKOGVIV-ZDUSSCGKSA-N 1 1 325.376 0.638 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058288196 773923123 /nfs/dbraw/zinc/92/31/23/773923123.db2.gz UZLQQLVYOCZGPO-HUUCEWRRSA-N 1 1 339.480 0.866 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058376902 774061893 /nfs/dbraw/zinc/06/18/93/774061893.db2.gz YZJBKDPNSVDKIL-DZGCQCFKSA-N 1 1 347.394 0.508 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058376902 774061896 /nfs/dbraw/zinc/06/18/96/774061896.db2.gz YZJBKDPNSVDKIL-DZGCQCFKSA-N 1 1 347.394 0.508 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4nccnc4C#N)C[C@H]32)C1 ZINC001040637500 783151221 /nfs/dbraw/zinc/15/12/21/783151221.db2.gz YSKLMQYOYHDPJO-KCQAQPDRSA-N 1 1 326.404 0.337 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)C1 ZINC001058521699 774353605 /nfs/dbraw/zinc/35/36/05/774353605.db2.gz ROZJWWHJHYDZDX-HUUCEWRRSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)C1 ZINC001058521699 774353610 /nfs/dbraw/zinc/35/36/10/774353610.db2.gz ROZJWWHJHYDZDX-HUUCEWRRSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(COC)ncn2)C1 ZINC001058589659 774491224 /nfs/dbraw/zinc/49/12/24/774491224.db2.gz JOCKKPNVZIKVRK-HOCLYGCPSA-N 1 1 343.431 0.416 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(COC)ncn2)C1 ZINC001058589659 774491227 /nfs/dbraw/zinc/49/12/27/774491227.db2.gz JOCKKPNVZIKVRK-HOCLYGCPSA-N 1 1 343.431 0.416 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001058624696 774562619 /nfs/dbraw/zinc/56/26/19/774562619.db2.gz GMRQOZFFLHBGCG-SFHVURJKSA-N 1 1 337.464 0.766 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CCN(c1cncc(C#N)n1)CC2 ZINC001058627315 774566384 /nfs/dbraw/zinc/56/63/84/774566384.db2.gz NZXWJBWKDFNUIY-GJZGRUSLSA-N 1 1 340.431 0.918 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CCN(c1nccnc1C#N)CC2 ZINC001058627179 774566434 /nfs/dbraw/zinc/56/64/34/774566434.db2.gz KNUFZODDOOWRBQ-GJZGRUSLSA-N 1 1 340.431 0.918 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(c1ccc(C#N)nn1)CC2 ZINC001058627336 774566701 /nfs/dbraw/zinc/56/67/01/774566701.db2.gz OSLRPAYFOPMNBU-HUUCEWRRSA-N 1 1 340.431 0.918 20 30 ECEDMO CCCn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001044979269 774793015 /nfs/dbraw/zinc/79/30/15/774793015.db2.gz PGBOHTGXVWIWJN-ZDUSSCGKSA-N 1 1 342.407 0.677 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(c4ccc(C#N)nn4)[C@H]3C2)C1 ZINC001045041312 774886135 /nfs/dbraw/zinc/88/61/35/774886135.db2.gz NJFQEFHHMPSQGF-LZWOXQAQSA-N 1 1 340.431 0.727 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nncn1C ZINC001045043962 774891169 /nfs/dbraw/zinc/89/11/69/774891169.db2.gz VGGKGTDKZZJQBB-ZNMIVQPWSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001045069266 774928973 /nfs/dbraw/zinc/92/89/73/774928973.db2.gz REASYYFFHZUALW-CQSZACIVSA-N 1 1 334.420 0.483 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001045069721 774930525 /nfs/dbraw/zinc/93/05/25/774930525.db2.gz ZZAGIEYAOKLQNP-LSDHHAIUSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001045208755 775150859 /nfs/dbraw/zinc/15/08/59/775150859.db2.gz KEJZYESDATYFNS-XHSDSOJGSA-N 1 1 333.436 0.970 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001043890367 775226448 /nfs/dbraw/zinc/22/64/48/775226448.db2.gz KCNDILADHAYRHJ-UHFFFAOYSA-N 1 1 334.420 0.627 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043909534 775284185 /nfs/dbraw/zinc/28/41/85/775284185.db2.gz JXBASJHMBQAZFN-TZMCWYRMSA-N 1 1 334.420 0.339 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001043910645 775290351 /nfs/dbraw/zinc/29/03/51/775290351.db2.gz TWLFKURNELWKCA-UHFFFAOYSA-N 1 1 346.431 0.627 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070022262 790354915 /nfs/dbraw/zinc/35/49/15/790354915.db2.gz FLSSGJAISIBBOO-KFWWJZLASA-N 1 1 346.435 0.255 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070022262 790354928 /nfs/dbraw/zinc/35/49/28/790354928.db2.gz FLSSGJAISIBBOO-KFWWJZLASA-N 1 1 346.435 0.255 20 30 ECEDMO CC1(NC(=O)c2cc(C#N)c[nH]2)CC[NH+](CC(=O)NC2CC2)CC1 ZINC001045399755 775541806 /nfs/dbraw/zinc/54/18/06/775541806.db2.gz PWXZUJBJCIYMFV-UHFFFAOYSA-N 1 1 329.404 0.749 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(C#N)nn2)C1 ZINC001045431108 775603713 /nfs/dbraw/zinc/60/37/13/775603713.db2.gz XBKXTGOIZIUICO-KFWWJZLASA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(C#N)nn2)C1 ZINC001045431108 775603721 /nfs/dbraw/zinc/60/37/21/775603721.db2.gz XBKXTGOIZIUICO-KFWWJZLASA-N 1 1 344.419 0.518 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001045462568 775646997 /nfs/dbraw/zinc/64/69/97/775646997.db2.gz KNHFBQUQYMGGJT-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001045546300 775771664 /nfs/dbraw/zinc/77/16/64/775771664.db2.gz KGLWPQMPKGVIMU-AWEZNQCLSA-N 1 1 338.452 0.348 20 30 ECEDMO C=CCn1cc(C(=O)NC2(C)CC[NH+](Cc3cncn3C)CC2)nn1 ZINC001045580931 775829655 /nfs/dbraw/zinc/82/96/55/775829655.db2.gz XIWVRIQCEPVMGX-UHFFFAOYSA-N 1 1 343.435 0.982 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2(C)CCN([C@H]3CCNC3=O)CC2)CC1 ZINC001045646442 775959942 /nfs/dbraw/zinc/95/99/42/775959942.db2.gz JCWPIZSCBLEGAY-INIZCTEOSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CC[NH+]1CCC2(CO[C@H](CNC(=O)C3=NC(=O)N(C)C3)C2)CC1 ZINC001045679289 776027189 /nfs/dbraw/zinc/02/71/89/776027189.db2.gz IEMYJXMBSOGURV-ZDUSSCGKSA-N 1 1 332.404 0.360 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)[nH]1 ZINC001045757205 776147237 /nfs/dbraw/zinc/14/72/37/776147237.db2.gz CBELAZUVHMBVIW-IPYPFGDCSA-N 1 1 327.388 0.454 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070040896 790423330 /nfs/dbraw/zinc/42/33/30/790423330.db2.gz KMRVKHFJYASANA-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070040896 790423339 /nfs/dbraw/zinc/42/33/39/790423339.db2.gz KMRVKHFJYASANA-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001068506731 790435601 /nfs/dbraw/zinc/43/56/01/790435601.db2.gz VAVHTKOHXPJPEW-IHRRRGAJSA-N 1 1 328.420 0.419 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O ZINC001044385506 776259977 /nfs/dbraw/zinc/25/99/77/776259977.db2.gz BEYOWXHPRHCFAK-ILXRZTDVSA-N 1 1 329.404 0.103 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001044484028 776346216 /nfs/dbraw/zinc/34/62/16/776346216.db2.gz FVBVKFPGTIVKFR-UHFFFAOYSA-N 1 1 337.464 0.600 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)C[C@@H]1C ZINC001044630154 776543377 /nfs/dbraw/zinc/54/33/77/776543377.db2.gz UHXPUZAXMFLRLH-UONOGXRCSA-N 1 1 343.435 0.981 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001044702973 776664194 /nfs/dbraw/zinc/66/41/94/776664194.db2.gz CTVFFWJCHGEETI-ZACQAIPSSA-N 1 1 343.431 0.493 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001079678949 776672518 /nfs/dbraw/zinc/67/25/18/776672518.db2.gz LRNGEAFICJKBBI-WQVCFCJDSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001079678949 776672524 /nfs/dbraw/zinc/67/25/24/776672524.db2.gz LRNGEAFICJKBBI-WQVCFCJDSA-N 1 1 343.431 0.622 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccncn2)[C@@H](n2ccnn2)C1 ZINC001070057203 790469701 /nfs/dbraw/zinc/46/97/01/790469701.db2.gz DACBGVJUPCDVBW-CABCVRRESA-N 1 1 327.392 0.690 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](n2ccnn2)C1 ZINC001070062894 790485298 /nfs/dbraw/zinc/48/52/98/790485298.db2.gz JDDNONGOSGZHRQ-ZBFHGGJFSA-N 1 1 341.419 0.253 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](n2ccnn2)C1 ZINC001070062894 790485301 /nfs/dbraw/zinc/48/53/01/790485301.db2.gz JDDNONGOSGZHRQ-ZBFHGGJFSA-N 1 1 341.419 0.253 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001079744306 776788976 /nfs/dbraw/zinc/78/89/76/776788976.db2.gz AVAGGJMGWRWEJL-INIZCTEOSA-N 1 1 349.475 0.816 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001079744306 776788985 /nfs/dbraw/zinc/78/89/85/776788985.db2.gz AVAGGJMGWRWEJL-INIZCTEOSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001079773512 776841336 /nfs/dbraw/zinc/84/13/36/776841336.db2.gz NYJWHJMCMAZJMH-HNNXBMFYSA-N 1 1 335.448 0.427 20 30 ECEDMO CCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C1CN(C(=O)C#CC2CC2)C1 ZINC001079804379 776903431 /nfs/dbraw/zinc/90/34/31/776903431.db2.gz CKJBRBPRUBSHDY-HNNXBMFYSA-N 1 1 347.459 0.427 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001079806217 776909766 /nfs/dbraw/zinc/90/97/66/776909766.db2.gz WZDCSCBYRONKME-KRWDZBQOSA-N 1 1 334.420 0.578 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001079867700 777000219 /nfs/dbraw/zinc/00/02/19/777000219.db2.gz LLMZZIOOPGPSLK-KBRIMQKVSA-N 1 1 325.412 0.973 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cncs3)C2)C1=O ZINC001079906908 777054728 /nfs/dbraw/zinc/05/47/28/777054728.db2.gz GYPWAZAIQDDHRR-BPLDGKMQSA-N 1 1 348.472 0.909 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001079961256 777154064 /nfs/dbraw/zinc/15/40/64/777154064.db2.gz KQXLNAQWFCWZOW-LPWJVIDDSA-N 1 1 334.338 0.793 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079983455 777191854 /nfs/dbraw/zinc/19/18/54/777191854.db2.gz YKTIPJYBSSADNG-IJEWVQPXSA-N 1 1 337.464 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCOCC)C1 ZINC001080008878 777221690 /nfs/dbraw/zinc/22/16/90/777221690.db2.gz HBLHDQUXYSGBLK-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCOCC)C1 ZINC001080008878 777221698 /nfs/dbraw/zinc/22/16/98/777221698.db2.gz HBLHDQUXYSGBLK-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[C@@H](C)OC)C1 ZINC001080008927 777221886 /nfs/dbraw/zinc/22/18/86/777221886.db2.gz JILPQACXWWFCIL-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[C@@H](C)OC)C1 ZINC001080008927 777221893 /nfs/dbraw/zinc/22/18/93/777221893.db2.gz JILPQACXWWFCIL-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CSCC#N)C1 ZINC001080009230 777222897 /nfs/dbraw/zinc/22/28/97/777222897.db2.gz VTAGFDIZMZUFOZ-HNNXBMFYSA-N 1 1 348.472 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CSCC#N)C1 ZINC001080009230 777222898 /nfs/dbraw/zinc/22/28/98/777222898.db2.gz VTAGFDIZMZUFOZ-HNNXBMFYSA-N 1 1 348.472 0.400 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cncn3C)C2)C1=O ZINC001080058062 777317262 /nfs/dbraw/zinc/31/72/62/777317262.db2.gz GVVZXIMGBUEPEJ-MCIONIFRSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cncn3C)C2)C1=O ZINC001080058062 777317267 /nfs/dbraw/zinc/31/72/67/777317267.db2.gz GVVZXIMGBUEPEJ-MCIONIFRSA-N 1 1 331.420 0.257 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=C)C)C[C@@H]2n2ccnn2)nc1 ZINC001070078672 790529493 /nfs/dbraw/zinc/52/94/93/790529493.db2.gz KTUAUOONHQEDGY-SJORKVTESA-N 1 1 336.399 0.886 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=C)C)C[C@@H]2n2ccnn2)nc1 ZINC001070078672 790529498 /nfs/dbraw/zinc/52/94/98/790529498.db2.gz KTUAUOONHQEDGY-SJORKVTESA-N 1 1 336.399 0.886 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001080105611 777399319 /nfs/dbraw/zinc/39/93/19/777399319.db2.gz XCPWKPOARFWENV-KRWDZBQOSA-N 1 1 334.420 0.578 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001080205275 777554003 /nfs/dbraw/zinc/55/40/03/777554003.db2.gz YGMCWTYDWQTAMA-BZPMIXESSA-N 1 1 348.403 0.520 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001080205275 777554012 /nfs/dbraw/zinc/55/40/12/777554012.db2.gz YGMCWTYDWQTAMA-BZPMIXESSA-N 1 1 348.403 0.520 20 30 ECEDMO C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001080220907 777577860 /nfs/dbraw/zinc/57/78/60/777577860.db2.gz YOPTTXSMXBIGQV-UHFFFAOYSA-N 1 1 337.464 0.980 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261448 777622893 /nfs/dbraw/zinc/62/28/93/777622893.db2.gz NWCJSMURNVGIRG-DAXOMENPSA-N 1 1 326.400 0.631 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116174 777756786 /nfs/dbraw/zinc/75/67/86/777756786.db2.gz NLLNGLJUQMNPBN-LBPRGKRZSA-N 1 1 343.855 0.406 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2C)CC1 ZINC001080392782 777786612 /nfs/dbraw/zinc/78/66/12/777786612.db2.gz WQMWXKNNVXZFIK-UKRRQHHQSA-N 1 1 348.447 0.721 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043133988 777798485 /nfs/dbraw/zinc/79/84/85/777798485.db2.gz YDKKESNRLZAYEJ-CHWSQXEVSA-N 1 1 334.420 0.339 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001080417150 777822310 /nfs/dbraw/zinc/82/23/10/777822310.db2.gz XDCGITNBIVDYBC-JSGCOSHPSA-N 1 1 329.404 0.979 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080421803 777831279 /nfs/dbraw/zinc/83/12/79/777831279.db2.gz QPESDTCYXPVKSL-UKRRQHHQSA-N 1 1 336.436 0.315 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001080468672 777902496 /nfs/dbraw/zinc/90/24/96/777902496.db2.gz VWVKDMHMYQPMDH-FVQBIDKESA-N 1 1 345.447 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(C)(C)C=C)C1 ZINC001043209152 777965313 /nfs/dbraw/zinc/96/53/13/777965313.db2.gz LQYCXIFXPGHVPO-HNNXBMFYSA-N 1 1 347.459 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(C)(C)C=C)C1 ZINC001043209152 777965324 /nfs/dbraw/zinc/96/53/24/777965324.db2.gz LQYCXIFXPGHVPO-HNNXBMFYSA-N 1 1 347.459 0.376 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001070094027 790580240 /nfs/dbraw/zinc/58/02/40/790580240.db2.gz UXWGFVUXYTXFIM-CVEARBPZSA-N 1 1 342.403 0.490 20 30 ECEDMO CCN(C(=O)C[N@H+]1CCC[C@H]1C)C1CN(C(=O)CSCC#N)C1 ZINC001080556395 778018158 /nfs/dbraw/zinc/01/81/58/778018158.db2.gz IKSKLYDZWZBVKW-CYBMUJFWSA-N 1 1 338.477 0.787 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001043235231 778023714 /nfs/dbraw/zinc/02/37/14/778023714.db2.gz JVZRDICTXZWJCV-HZPDHXFCSA-N 1 1 347.459 0.352 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043262942 778064896 /nfs/dbraw/zinc/06/48/96/778064896.db2.gz ZIFXJSCGBJIYJJ-GDBMZVCRSA-N 1 1 349.475 0.785 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001080579083 778083127 /nfs/dbraw/zinc/08/31/27/778083127.db2.gz NOFOINPJINKGQS-NXEZZACHSA-N 1 1 329.326 0.907 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2C)nn1 ZINC001080579045 778083745 /nfs/dbraw/zinc/08/37/45/778083745.db2.gz LTNOGNDWFLXGAF-UKRRQHHQSA-N 1 1 333.436 0.941 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2C)nn1 ZINC001080585883 778095629 /nfs/dbraw/zinc/09/56/29/778095629.db2.gz PCMCAZZTJWINME-UMVBOHGHSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2C)nn1 ZINC001080585883 778095640 /nfs/dbraw/zinc/09/56/40/778095640.db2.gz PCMCAZZTJWINME-UMVBOHGHSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001043417126 778294312 /nfs/dbraw/zinc/29/43/12/778294312.db2.gz ZCQUXNAWPMXTGI-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)N2CCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070102795 790614191 /nfs/dbraw/zinc/61/41/91/790614191.db2.gz WYLKEYDOYXCALB-KFWWJZLASA-N 1 1 346.435 0.207 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)N2CCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070102795 790614195 /nfs/dbraw/zinc/61/41/95/790614195.db2.gz WYLKEYDOYXCALB-KFWWJZLASA-N 1 1 346.435 0.207 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001043461280 778370269 /nfs/dbraw/zinc/37/02/69/778370269.db2.gz AKYWFDSDZNIZMW-CQSZACIVSA-N 1 1 344.415 0.109 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001043464744 778380553 /nfs/dbraw/zinc/38/05/53/778380553.db2.gz YQGKUMJCTWGPSD-DZGCQCFKSA-N 1 1 348.447 0.243 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001043537094 778491054 /nfs/dbraw/zinc/49/10/54/778491054.db2.gz RNABBBHQWMJQAF-ZIAGYGMSSA-N 1 1 337.464 0.618 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070111915 790642302 /nfs/dbraw/zinc/64/23/02/790642302.db2.gz FLVHSNBDBOVVRZ-ZBFHGGJFSA-N 1 1 347.459 0.379 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccncc2C#N)C1 ZINC001068588361 790642706 /nfs/dbraw/zinc/64/27/06/790642706.db2.gz GKTLTYZACNGQHI-DARAHFNDSA-N 1 1 327.432 0.880 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001043768403 778838114 /nfs/dbraw/zinc/83/81/14/778838114.db2.gz BUXTVHHUBAFHCF-INIZCTEOSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001043801261 778886851 /nfs/dbraw/zinc/88/68/51/778886851.db2.gz KGCPJESEFIFKKW-MRXNPFEDSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001043801259 778887073 /nfs/dbraw/zinc/88/70/73/778887073.db2.gz KGCPJESEFIFKKW-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2C[NH+](C[C@H]3CCNC(=O)CC3)C2)c1 ZINC001043822488 778913782 /nfs/dbraw/zinc/91/37/82/778913782.db2.gz TZZDJCYOLQQKSR-OAHLLOKOSA-N 1 1 340.427 0.735 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@H](C)C#N)O2 ZINC001068620629 790730708 /nfs/dbraw/zinc/73/07/08/790730708.db2.gz PEHXWNWGPJTTHO-ZIAGYGMSSA-N 1 1 336.436 0.364 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@H]21 ZINC001042271008 779952523 /nfs/dbraw/zinc/95/25/23/779952523.db2.gz VRPOBKDTBMZAHR-UKRRQHHQSA-N 1 1 339.399 0.501 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21 ZINC001042282620 779980809 /nfs/dbraw/zinc/98/08/09/779980809.db2.gz FDQYSXPPWNTBRJ-ZFWWWQNUSA-N 1 1 344.415 0.685 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(N4CCOCC4)CCC3)C[C@@H]21 ZINC001042295517 780012158 /nfs/dbraw/zinc/01/21/58/780012158.db2.gz SDCUIZSKMXSKSE-SJORKVTESA-N 1 1 331.460 0.797 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@H]21 ZINC001042325452 780075381 /nfs/dbraw/zinc/07/53/81/780075381.db2.gz FZMJUTOQTLPWQC-BLLLJJGKSA-N 1 1 337.383 0.900 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3-n3cnnn3)C[C@H]21 ZINC001042348602 780115679 /nfs/dbraw/zinc/11/56/79/780115679.db2.gz LPYHRLZTSKGPRW-RHSMWYFYSA-N 1 1 336.399 0.832 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]21 ZINC001042354345 780126458 /nfs/dbraw/zinc/12/64/58/780126458.db2.gz RQVBYFDZTGMWSK-JSGCOSHPSA-N 1 1 332.404 0.598 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C ZINC001042358824 780140358 /nfs/dbraw/zinc/14/03/58/780140358.db2.gz PYRKGFWYGLYONW-BXUZGUMPSA-N 1 1 325.376 0.494 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]21 ZINC001042363823 780149386 /nfs/dbraw/zinc/14/93/86/780149386.db2.gz YOCRXCNBNNVPNW-BBRMVZONSA-N 1 1 326.400 0.740 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2C)C1 ZINC001042502580 780358941 /nfs/dbraw/zinc/35/89/41/780358941.db2.gz NPEAVEVHBJNBOR-MGPQQGTHSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)CCOC)CC1 ZINC001078763039 780461653 /nfs/dbraw/zinc/46/16/53/780461653.db2.gz SMLFJVHTESYFNV-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)CCOC)CC1 ZINC001078763039 780461657 /nfs/dbraw/zinc/46/16/57/780461657.db2.gz SMLFJVHTESYFNV-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C ZINC001042621394 780542446 /nfs/dbraw/zinc/54/24/46/780542446.db2.gz RKOVAHFUIPQWON-BMFZPTHFSA-N 1 1 338.415 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C ZINC001042621394 780542455 /nfs/dbraw/zinc/54/24/55/780542455.db2.gz RKOVAHFUIPQWON-BMFZPTHFSA-N 1 1 338.415 0.387 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1C ZINC001042621568 780542469 /nfs/dbraw/zinc/54/24/69/780542469.db2.gz VHFGFLRPNJBSKB-OIISXLGYSA-N 1 1 337.427 0.992 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1C ZINC001042621568 780542474 /nfs/dbraw/zinc/54/24/74/780542474.db2.gz VHFGFLRPNJBSKB-OIISXLGYSA-N 1 1 337.427 0.992 20 30 ECEDMO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCOC2)C1 ZINC001079126862 780784886 /nfs/dbraw/zinc/78/48/86/780784886.db2.gz CRCZWCGSCMRPKO-RCCFBDPRSA-N 1 1 328.412 0.730 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCOC2)C1 ZINC001079126862 780784890 /nfs/dbraw/zinc/78/48/90/780784890.db2.gz CRCZWCGSCMRPKO-RCCFBDPRSA-N 1 1 328.412 0.730 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001042806851 780857043 /nfs/dbraw/zinc/85/70/43/780857043.db2.gz LIWNOWOCOIKDKV-HOTGVXAUSA-N 1 1 347.459 0.496 20 30 ECEDMO CN(c1ccc(C#N)nn1)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001068663772 790834354 /nfs/dbraw/zinc/83/43/54/790834354.db2.gz LNRDYKLUHNCKMN-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1ccc(C#N)nn1)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001068663772 790834372 /nfs/dbraw/zinc/83/43/72/790834372.db2.gz LNRDYKLUHNCKMN-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO C=CC[NH+]1CCC2(CN(C(=O)c3[nH]nnc3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079254465 780928379 /nfs/dbraw/zinc/92/83/79/780928379.db2.gz DUMASIRFVRECEG-UONOGXRCSA-N 1 1 331.420 0.852 20 30 ECEDMO CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042860624 780954818 /nfs/dbraw/zinc/95/48/18/780954818.db2.gz FLVRGCIHGNKYBP-NWANDNLSSA-N 1 1 344.419 0.010 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042862253 780957116 /nfs/dbraw/zinc/95/71/16/780957116.db2.gz ZQYBBABAABLVCP-FVQBIDKESA-N 1 1 343.431 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCCC(C)=O)C1 ZINC001079302186 780976525 /nfs/dbraw/zinc/97/65/25/780976525.db2.gz QBFPOJLGXNHPBN-KRWDZBQOSA-N 1 1 347.459 0.903 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCCC(C)=O)C1 ZINC001079302186 780976528 /nfs/dbraw/zinc/97/65/28/780976528.db2.gz QBFPOJLGXNHPBN-KRWDZBQOSA-N 1 1 347.459 0.903 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCc2cnn(CC)c2)C1 ZINC001042960634 781102444 /nfs/dbraw/zinc/10/24/44/781102444.db2.gz RBHUGVUUUSMIHZ-SFHVURJKSA-N 1 1 343.475 0.686 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCc2cnn(CC)c2)C1 ZINC001042960634 781102450 /nfs/dbraw/zinc/10/24/50/781102450.db2.gz RBHUGVUUUSMIHZ-SFHVURJKSA-N 1 1 343.475 0.686 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ncnn2C(C)C)C1 ZINC001042960231 781102662 /nfs/dbraw/zinc/10/26/62/781102662.db2.gz MDJXHYPSVDZOCS-INIZCTEOSA-N 1 1 344.463 0.599 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ncnn2C(C)C)C1 ZINC001042960231 781102664 /nfs/dbraw/zinc/10/26/64/781102664.db2.gz MDJXHYPSVDZOCS-INIZCTEOSA-N 1 1 344.463 0.599 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2nc(C)no2)C1 ZINC001042962047 781105048 /nfs/dbraw/zinc/10/50/48/781105048.db2.gz BWHKZEPNFAKDOT-WFASDCNBSA-N 1 1 331.420 0.679 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2nc(C)no2)C1 ZINC001042962047 781105049 /nfs/dbraw/zinc/10/50/49/781105049.db2.gz BWHKZEPNFAKDOT-WFASDCNBSA-N 1 1 331.420 0.679 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2nnc(CC)o2)C1 ZINC001042962498 781105828 /nfs/dbraw/zinc/10/58/28/781105828.db2.gz IATJSSUEGDITLB-HIFRSBDPSA-N 1 1 345.447 0.933 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2nnc(CC)o2)C1 ZINC001042962498 781105832 /nfs/dbraw/zinc/10/58/32/781105832.db2.gz IATJSSUEGDITLB-HIFRSBDPSA-N 1 1 345.447 0.933 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)CC[N@H+]1C ZINC001042970783 781119399 /nfs/dbraw/zinc/11/93/99/781119399.db2.gz XQPFNCPHAVNAHF-GJZGRUSLSA-N 1 1 349.475 0.456 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079539342 781240816 /nfs/dbraw/zinc/24/08/16/781240816.db2.gz DXYDPFIKEMATNV-BXUZGUMPSA-N 1 1 343.387 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2cc[nH]n2)C1 ZINC001079540606 781242462 /nfs/dbraw/zinc/24/24/62/781242462.db2.gz UPLQGAHHYCCIFQ-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2cc[nH]n2)C1 ZINC001079540606 781242466 /nfs/dbraw/zinc/24/24/66/781242466.db2.gz UPLQGAHHYCCIFQ-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043060965 781258346 /nfs/dbraw/zinc/25/83/46/781258346.db2.gz XSDLZAPLOGJOOJ-JKSUJKDBSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043060964 781258485 /nfs/dbraw/zinc/25/84/85/781258485.db2.gz XSDLZAPLOGJOOJ-HZPDHXFCSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001079559853 781265607 /nfs/dbraw/zinc/26/56/07/781265607.db2.gz YZVRUBQUOSBEBG-WQVCFCJDSA-N 1 1 345.447 0.484 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001079559853 781265613 /nfs/dbraw/zinc/26/56/13/781265613.db2.gz YZVRUBQUOSBEBG-WQVCFCJDSA-N 1 1 345.447 0.484 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001079559853 781265617 /nfs/dbraw/zinc/26/56/17/781265617.db2.gz YZVRUBQUOSBEBG-WQVCFCJDSA-N 1 1 345.447 0.484 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001079603694 781309840 /nfs/dbraw/zinc/30/98/40/781309840.db2.gz QVXZBRJAVWHSFR-JHJVBQTASA-N 1 1 348.403 0.520 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001079603694 781309846 /nfs/dbraw/zinc/30/98/46/781309846.db2.gz QVXZBRJAVWHSFR-JHJVBQTASA-N 1 1 348.403 0.520 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041362813 781354695 /nfs/dbraw/zinc/35/46/95/781354695.db2.gz MNJXSNHZGUOQQA-SFHVURJKSA-N 1 1 335.448 0.736 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)Cn2c[nH+]cc2C)nc1 ZINC001077633328 781390505 /nfs/dbraw/zinc/39/05/05/781390505.db2.gz MDGOEXJVXVIIOP-ZDUSSCGKSA-N 1 1 339.399 0.893 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC001041409387 781451108 /nfs/dbraw/zinc/45/11/08/781451108.db2.gz XVJBXZVLBXHBEZ-LJQANCHMSA-N 1 1 340.427 0.671 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001077679126 781492868 /nfs/dbraw/zinc/49/28/68/781492868.db2.gz HXHGSQVMJZCGNO-ZTFGCOKTSA-N 1 1 342.443 0.561 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O ZINC001077699215 781539908 /nfs/dbraw/zinc/53/99/08/781539908.db2.gz YCETXDNFIZURJA-TVFCKZIOSA-N 1 1 346.427 0.818 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O ZINC001077699215 781539915 /nfs/dbraw/zinc/53/99/15/781539915.db2.gz YCETXDNFIZURJA-TVFCKZIOSA-N 1 1 346.427 0.818 20 30 ECEDMO CCn1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001077778393 781680376 /nfs/dbraw/zinc/68/03/76/781680376.db2.gz HPQJZZOBONZVPF-IAGOWNOFSA-N 1 1 339.399 0.750 20 30 ECEDMO CCn1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001077778393 781680381 /nfs/dbraw/zinc/68/03/81/781680381.db2.gz HPQJZZOBONZVPF-IAGOWNOFSA-N 1 1 339.399 0.750 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCO[C@H]1CC ZINC001077780899 781683983 /nfs/dbraw/zinc/68/39/83/781683983.db2.gz NAXRWSZNJGWZHV-YVSFHVDLSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCO[C@H]1CC ZINC001077780899 781683990 /nfs/dbraw/zinc/68/39/90/781683990.db2.gz NAXRWSZNJGWZHV-YVSFHVDLSA-N 1 1 349.475 0.910 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(N3CCCC3)n2)C1 ZINC001077783655 781688360 /nfs/dbraw/zinc/68/83/60/781688360.db2.gz REASWIPQEFUHIK-HUUCEWRRSA-N 1 1 331.420 0.428 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(N3CCCC3)n2)C1 ZINC001077783655 781688363 /nfs/dbraw/zinc/68/83/63/781688363.db2.gz REASWIPQEFUHIK-HUUCEWRRSA-N 1 1 331.420 0.428 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C2)C1 ZINC001041527267 781702127 /nfs/dbraw/zinc/70/21/27/781702127.db2.gz JPTCLCSFFVOEKS-IBGZPJMESA-N 1 1 342.443 0.958 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)nn1 ZINC001077801213 781721926 /nfs/dbraw/zinc/72/19/26/781721926.db2.gz HQXZNCQKAGSERJ-UMVBOHGHSA-N 1 1 349.435 0.054 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001041538632 781724546 /nfs/dbraw/zinc/72/45/46/781724546.db2.gz ASSHQOPUQSCYHG-GOSISDBHSA-N 1 1 348.447 0.675 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001041542543 781737717 /nfs/dbraw/zinc/73/77/17/781737717.db2.gz DOIIQZYOZXAXHU-IUODEOHRSA-N 1 1 326.828 0.687 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001041542543 781737725 /nfs/dbraw/zinc/73/77/25/781737725.db2.gz DOIIQZYOZXAXHU-IUODEOHRSA-N 1 1 326.828 0.687 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)nn1 ZINC001077813008 781742291 /nfs/dbraw/zinc/74/22/91/781742291.db2.gz XIBQVJXUZVQALR-GDBMZVCRSA-N 1 1 349.435 0.198 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)nn1 ZINC001077813008 781742298 /nfs/dbraw/zinc/74/22/98/781742298.db2.gz XIBQVJXUZVQALR-GDBMZVCRSA-N 1 1 349.435 0.198 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001077837838 781800725 /nfs/dbraw/zinc/80/07/25/781800725.db2.gz LKCCVUNGSDWPDK-HZPDHXFCSA-N 1 1 328.416 0.923 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001077877007 781855577 /nfs/dbraw/zinc/85/55/77/781855577.db2.gz UHMQYRVLMVJZRG-BZUAXINKSA-N 1 1 329.400 0.599 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(c2ncccc2C#N)CCCO1 ZINC001039908394 783259511 /nfs/dbraw/zinc/25/95/11/783259511.db2.gz YOOJYDDSVSLGRX-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001040729415 783341016 /nfs/dbraw/zinc/34/10/16/783341016.db2.gz OVIBJOQQOCEQET-QGZVFWFLSA-N 1 1 325.453 0.764 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@]3(CCN(C(=O)COC)C3)C2)C1=O ZINC001040029293 783414803 /nfs/dbraw/zinc/41/48/03/783414803.db2.gz JVYCMCFBVXOESI-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC1(C(=O)NC[C@]2(O)CCN(C(=O)CC[N@H+](C)CC)C2)CCC1 ZINC001040059240 783461673 /nfs/dbraw/zinc/46/16/73/783461673.db2.gz GVZFJUHLNUEQPV-LJQANCHMSA-N 1 1 349.475 0.601 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001040823726 783511032 /nfs/dbraw/zinc/51/10/32/783511032.db2.gz ZLVAIXGGGWQLCJ-IJEWVQPXSA-N 1 1 340.431 0.870 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(CCN(C(=O)C(N)=O)C2)CC1 ZINC001040827768 783519132 /nfs/dbraw/zinc/51/91/32/783519132.db2.gz ABPHJOJKDIQBOQ-UHFFFAOYSA-N 1 1 344.390 0.997 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070172952 783593315 /nfs/dbraw/zinc/59/33/15/783593315.db2.gz VYIYQRYEXNEGSP-UONOGXRCSA-N 1 1 336.436 0.269 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1 ZINC001070178673 783605029 /nfs/dbraw/zinc/60/50/29/783605029.db2.gz CYQMRXBOIIVWCO-KGLIPLIRSA-N 1 1 345.794 0.886 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070212358 783667361 /nfs/dbraw/zinc/66/73/61/783667361.db2.gz GHNJMUUJPQIOSL-KFWWJZLASA-N 1 1 331.424 0.018 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 ZINC001070232883 783708992 /nfs/dbraw/zinc/70/89/92/783708992.db2.gz UIYZJRWLSHUDED-AWEZNQCLSA-N 1 1 338.452 0.660 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070241680 783726917 /nfs/dbraw/zinc/72/69/17/783726917.db2.gz SUTFHBYHRQNNLN-IXDOHACOSA-N 1 1 342.447 0.127 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001070247132 783735657 /nfs/dbraw/zinc/73/56/57/783735657.db2.gz DAMWCYXMESMVTJ-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@@H]1n1ccnn1 ZINC001070308516 783813218 /nfs/dbraw/zinc/81/32/18/783813218.db2.gz XIKHGZKYRXDMHL-WQVCFCJDSA-N 1 1 341.419 0.334 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)[C@H]3CCCO3)[nH]2)[C@H](C2CC2)C1 ZINC001070351069 783859667 /nfs/dbraw/zinc/85/96/67/783859667.db2.gz FVPCKYBNOOILKQ-RRFJBIMHSA-N 1 1 343.431 0.659 20 30 ECEDMO C#CC[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)[C@H]3CCCO3)n2)[C@H](C2CC2)C1 ZINC001070351069 783859675 /nfs/dbraw/zinc/85/96/75/783859675.db2.gz FVPCKYBNOOILKQ-RRFJBIMHSA-N 1 1 343.431 0.659 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)[C@H]3CCCO3)n2)[C@H](C2CC2)C1 ZINC001070351069 783859678 /nfs/dbraw/zinc/85/96/78/783859678.db2.gz FVPCKYBNOOILKQ-RRFJBIMHSA-N 1 1 343.431 0.659 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cn[nH]n2)C1 ZINC001070386255 783931577 /nfs/dbraw/zinc/93/15/77/783931577.db2.gz GNYBRZURMBOFAU-ZDUSSCGKSA-N 1 1 328.376 0.769 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnn[nH]2)C1 ZINC001070386255 783931580 /nfs/dbraw/zinc/93/15/80/783931580.db2.gz GNYBRZURMBOFAU-ZDUSSCGKSA-N 1 1 328.376 0.769 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnn[nH]2)C1 ZINC001070386255 783931590 /nfs/dbraw/zinc/93/15/90/783931590.db2.gz GNYBRZURMBOFAU-ZDUSSCGKSA-N 1 1 328.376 0.769 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCO2)C1 ZINC001070398011 783962710 /nfs/dbraw/zinc/96/27/10/783962710.db2.gz MVPQAORUUUHHJA-ZFWWWQNUSA-N 1 1 334.420 0.807 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001070405797 783984592 /nfs/dbraw/zinc/98/45/92/783984592.db2.gz BSDHTSUZEPDRDW-LBPRGKRZSA-N 1 1 343.387 0.444 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001070406078 783985973 /nfs/dbraw/zinc/98/59/73/783985973.db2.gz LDMZQRRTMLQYGL-GFCCVEGCSA-N 1 1 345.403 0.997 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001070409774 783997713 /nfs/dbraw/zinc/99/77/13/783997713.db2.gz LXWGRJMHIJXKBH-NSHDSACASA-N 1 1 338.433 0.046 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001070411594 784001836 /nfs/dbraw/zinc/00/18/36/784001836.db2.gz SNKPRRZUTMVEPD-KGLIPLIRSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001070414456 784014570 /nfs/dbraw/zinc/01/45/70/784014570.db2.gz NLNZZHMSBGCTBR-KBPBESRZSA-N 1 1 343.431 0.317 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001070414955 784015603 /nfs/dbraw/zinc/01/56/03/784015603.db2.gz VQZLDBYRCMJMDL-KGLIPLIRSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2CC)C1 ZINC001070415136 784015967 /nfs/dbraw/zinc/01/59/67/784015967.db2.gz YBPAWVADTYDFGU-GDBMZVCRSA-N 1 1 345.447 0.169 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001070418001 784022183 /nfs/dbraw/zinc/02/21/83/784022183.db2.gz DMWCUQGBKNDNLI-LBPRGKRZSA-N 1 1 342.403 0.409 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2coc(OC)n2)C1 ZINC001070418673 784023487 /nfs/dbraw/zinc/02/34/87/784023487.db2.gz UYAPIAFDEHFSOI-LLVKDONJSA-N 1 1 329.360 0.759 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001070420109 784027143 /nfs/dbraw/zinc/02/71/43/784027143.db2.gz PZWGLPBVWQMIES-TZMCWYRMSA-N 1 1 331.420 0.622 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001070421470 784030293 /nfs/dbraw/zinc/03/02/93/784030293.db2.gz LQCWIDUKNAFEBL-ZFWWWQNUSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc3ncccn3n2)C1 ZINC001070429845 784049319 /nfs/dbraw/zinc/04/93/19/784049319.db2.gz SEGRINFZRXDIPX-ZDUSSCGKSA-N 1 1 349.398 0.805 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C(C)C)nn2)C1 ZINC001070431537 784053734 /nfs/dbraw/zinc/05/37/34/784053734.db2.gz XYEABZOFIDVZQX-CYBMUJFWSA-N 1 1 341.419 0.935 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccn(C)n2)C1 ZINC001070433816 784060239 /nfs/dbraw/zinc/06/02/39/784060239.db2.gz FEIXYEMJGXDYRO-ZDUSSCGKSA-N 1 1 326.404 0.886 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001070434212 784061053 /nfs/dbraw/zinc/06/10/53/784061053.db2.gz PDNYGGCYIBLPFO-GJZGRUSLSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC2CC2)C1 ZINC001070902083 784080746 /nfs/dbraw/zinc/08/07/46/784080746.db2.gz TWKJCISLLLAWCU-XHSDSOJGSA-N 1 1 331.416 0.916 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC2CC2)C1 ZINC001070902083 784080748 /nfs/dbraw/zinc/08/07/48/784080748.db2.gz TWKJCISLLLAWCU-XHSDSOJGSA-N 1 1 331.416 0.916 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001070913596 784104967 /nfs/dbraw/zinc/10/49/67/784104967.db2.gz QVUZNJYTODJGTQ-XHSDSOJGSA-N 1 1 349.406 0.865 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001070913596 784104973 /nfs/dbraw/zinc/10/49/73/784104973.db2.gz QVUZNJYTODJGTQ-XHSDSOJGSA-N 1 1 349.406 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)OCC)C1 ZINC001070921712 784118582 /nfs/dbraw/zinc/11/85/82/784118582.db2.gz KGIURIAAUCACSI-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)OCC)C1 ZINC001070921712 784118589 /nfs/dbraw/zinc/11/85/89/784118589.db2.gz KGIURIAAUCACSI-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC2(O)CCC2)C1 ZINC001070922082 784120261 /nfs/dbraw/zinc/12/02/61/784120261.db2.gz ZUUDXLFFRRYCTM-CVEARBPZSA-N 1 1 347.459 0.496 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC2(O)CCC2)C1 ZINC001070922082 784120265 /nfs/dbraw/zinc/12/02/65/784120265.db2.gz ZUUDXLFFRRYCTM-CVEARBPZSA-N 1 1 347.459 0.496 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CC2CCOCC2)CC1 ZINC001070948162 784196655 /nfs/dbraw/zinc/19/66/55/784196655.db2.gz BGFKKBXPKITDDI-CQSZACIVSA-N 1 1 336.436 0.223 20 30 ECEDMO COC[C@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951483 784206054 /nfs/dbraw/zinc/20/60/54/784206054.db2.gz OORQDNYTAVEQLF-ZDUSSCGKSA-N 1 1 347.419 0.185 20 30 ECEDMO COC[C@H](C)[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951483 784206057 /nfs/dbraw/zinc/20/60/57/784206057.db2.gz OORQDNYTAVEQLF-ZDUSSCGKSA-N 1 1 347.419 0.185 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(C)c2ccnc(C#N)n2)CC1 ZINC001068727306 791006673 /nfs/dbraw/zinc/00/66/73/791006673.db2.gz LGXOEOCZMXPNKJ-DZGCQCFKSA-N 1 1 342.447 0.973 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)n2)CC1 ZINC001070960017 784233971 /nfs/dbraw/zinc/23/39/71/784233971.db2.gz RMFRPMPJZHNIOS-UHFFFAOYSA-N 1 1 334.424 0.138 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)n2)CC1 ZINC001070960017 784233974 /nfs/dbraw/zinc/23/39/74/784233974.db2.gz RMFRPMPJZHNIOS-UHFFFAOYSA-N 1 1 334.424 0.138 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001070967906 784257953 /nfs/dbraw/zinc/25/79/53/784257953.db2.gz CNRQHQQGXAGRKM-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cnc(C)o2)CC1 ZINC001070969287 784262543 /nfs/dbraw/zinc/26/25/43/784262543.db2.gz JYFDTEWVPZMTJD-UHFFFAOYSA-N 1 1 332.404 0.199 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnc(C)o2)CC1 ZINC001070969287 784262549 /nfs/dbraw/zinc/26/25/49/784262549.db2.gz JYFDTEWVPZMTJD-UHFFFAOYSA-N 1 1 332.404 0.199 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001070970385 784268251 /nfs/dbraw/zinc/26/82/51/784268251.db2.gz BSUTWRZLFQICMP-OAHLLOKOSA-N 1 1 343.431 0.044 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001070970446 784269533 /nfs/dbraw/zinc/26/95/33/784269533.db2.gz GCMHWWVEJPWKCQ-QGZVFWFLSA-N 1 1 348.491 0.533 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)COc2cc(C)on2)CC1 ZINC001070971880 784276637 /nfs/dbraw/zinc/27/66/37/784276637.db2.gz XAIULDVLYYUTMF-UHFFFAOYSA-N 1 1 348.403 0.036 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)COc2cc(C)on2)CC1 ZINC001070971880 784276645 /nfs/dbraw/zinc/27/66/45/784276645.db2.gz XAIULDVLYYUTMF-UHFFFAOYSA-N 1 1 348.403 0.036 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001070999882 784368255 /nfs/dbraw/zinc/36/82/55/784368255.db2.gz DOJHIAZGIPXGQW-MRXNPFEDSA-N 1 1 334.464 0.002 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001070999881 784369554 /nfs/dbraw/zinc/36/95/54/784369554.db2.gz DOJHIAZGIPXGQW-INIZCTEOSA-N 1 1 334.464 0.002 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001071004713 784382826 /nfs/dbraw/zinc/38/28/26/784382826.db2.gz OZWGQCXQSCSEOI-UHFFFAOYSA-N 1 1 345.447 0.290 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2COC(=O)N2)n1 ZINC001070596428 784406045 /nfs/dbraw/zinc/40/60/45/784406045.db2.gz GKTFXYXVUYAYBL-AVGNSLFASA-N 1 1 349.391 0.205 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 ZINC001070598223 784410465 /nfs/dbraw/zinc/41/04/65/784410465.db2.gz SOVWNEYIEJNTHH-QWRGUYRKSA-N 1 1 341.799 0.149 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 ZINC001070598223 784410472 /nfs/dbraw/zinc/41/04/72/784410472.db2.gz SOVWNEYIEJNTHH-QWRGUYRKSA-N 1 1 341.799 0.149 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2csnn2)n1 ZINC001070598152 784410653 /nfs/dbraw/zinc/41/06/53/784410653.db2.gz PAJFQUPDYPVMSJ-RYUDHWBXSA-N 1 1 346.416 0.709 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ccnnc2)n1 ZINC001070599285 784411496 /nfs/dbraw/zinc/41/14/96/784411496.db2.gz RGQYZUVASJVDJK-GJZGRUSLSA-N 1 1 340.387 0.648 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCOC2)n1 ZINC001070601156 784416784 /nfs/dbraw/zinc/41/67/84/784416784.db2.gz DLDCEKZNRIEYPB-SOUVJXGZSA-N 1 1 332.404 0.581 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C2CCOCC2)n1 ZINC001070601169 784417066 /nfs/dbraw/zinc/41/70/66/784417066.db2.gz DZGOINWSJGBZIO-JKSUJKDBSA-N 1 1 346.431 0.971 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001071015807 784423989 /nfs/dbraw/zinc/42/39/89/784423989.db2.gz UQNIUDZRTAZEMC-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001071015807 784423991 /nfs/dbraw/zinc/42/39/91/784423991.db2.gz UQNIUDZRTAZEMC-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCNC2=O)n1 ZINC001070604715 784424382 /nfs/dbraw/zinc/42/43/82/784424382.db2.gz VVDVQMNROSNXOQ-MJBXVCDLSA-N 1 1 347.419 0.233 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C[C@H]2CCCO2)CC1 ZINC001071023194 784449481 /nfs/dbraw/zinc/44/94/81/784449481.db2.gz TZVZOGXPWQBHSZ-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C[C@H]2CCCO2)CC1 ZINC001071023194 784449483 /nfs/dbraw/zinc/44/94/83/784449483.db2.gz TZVZOGXPWQBHSZ-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1c1cncn1C ZINC001070622529 784450407 /nfs/dbraw/zinc/45/04/07/784450407.db2.gz MCCBGQFOKKBMJQ-UKRRQHHQSA-N 1 1 326.404 0.537 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1c1cncn1C ZINC001070700652 784567670 /nfs/dbraw/zinc/56/76/70/784567670.db2.gz FRRIZVPVBDKDMT-NUEKZKHPSA-N 1 1 340.431 0.539 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cncn1C ZINC001070701862 784568476 /nfs/dbraw/zinc/56/84/76/784568476.db2.gz AJZYAISUJWMNMT-DGCLKSJQSA-N 1 1 349.826 0.499 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001071150429 784609331 /nfs/dbraw/zinc/60/93/31/784609331.db2.gz GOXSFKUUGQIBOL-LUKYLMHMSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@H](C)O2 ZINC001071159776 784627196 /nfs/dbraw/zinc/62/71/96/784627196.db2.gz RDAKSKPIERFASW-SUMWQHHRSA-N 1 1 331.420 0.331 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001070735931 784635431 /nfs/dbraw/zinc/63/54/31/784635431.db2.gz GNCXNACZJLOAPS-QWHCGFSZSA-N 1 1 346.410 0.235 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001070735931 784635438 /nfs/dbraw/zinc/63/54/38/784635438.db2.gz GNCXNACZJLOAPS-QWHCGFSZSA-N 1 1 346.410 0.235 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cncnc1)C[C@H](C)O2 ZINC001071163924 784636271 /nfs/dbraw/zinc/63/62/71/784636271.db2.gz DHCNLHSRSHRIDK-YJBOKZPZSA-N 1 1 328.416 0.734 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@@H+](CCn3cncn3)C2)O1 ZINC001071167319 784643729 /nfs/dbraw/zinc/64/37/29/784643729.db2.gz WPPQFTFVVFCXLR-CRAIPNDOSA-N 1 1 343.431 0.383 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc3nc[nH]c31)C[C@@H](C)O2 ZINC001071170961 784651471 /nfs/dbraw/zinc/65/14/71/784651471.db2.gz FMKVBFJLLNGYHS-FZKQIMNGSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3n[nH]nc3c1)C[C@@H](C)O2 ZINC001071175506 784663305 /nfs/dbraw/zinc/66/33/05/784663305.db2.gz FVBPPVPCLXSDKZ-PXAZEXFGSA-N 1 1 340.387 0.292 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@H](C)O2 ZINC001071176365 784665962 /nfs/dbraw/zinc/66/59/62/784665962.db2.gz UXHVQUJMSCOWQF-SUMWQHHRSA-N 1 1 332.404 0.767 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)C[C@@H](C)O2 ZINC001071185924 784689213 /nfs/dbraw/zinc/68/92/13/784689213.db2.gz NXEHMEFWWPDXGL-KDOFPFPSSA-N 1 1 344.415 0.604 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)C[C@@H](C)O2 ZINC001071185924 784689216 /nfs/dbraw/zinc/68/92/16/784689216.db2.gz NXEHMEFWWPDXGL-KDOFPFPSSA-N 1 1 344.415 0.604 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@H](C)O2 ZINC001071192948 784706092 /nfs/dbraw/zinc/70/60/92/784706092.db2.gz UREJIFOJVSGDSD-SCLBCKFNSA-N 1 1 347.415 0.875 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@H](C)O2 ZINC001071192948 784706098 /nfs/dbraw/zinc/70/60/98/784706098.db2.gz UREJIFOJVSGDSD-SCLBCKFNSA-N 1 1 347.415 0.875 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@H](C)O2 ZINC001071199371 784719655 /nfs/dbraw/zinc/71/96/55/784719655.db2.gz LCOIJOQMZMLRCM-KSSFIOAISA-N 1 1 346.431 0.757 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@H](C)O2 ZINC001071202222 784724457 /nfs/dbraw/zinc/72/44/57/784724457.db2.gz RJEBWPUDZMQJRH-SUMWQHHRSA-N 1 1 332.404 0.651 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@H](C)O2 ZINC001071204630 784730455 /nfs/dbraw/zinc/73/04/55/784730455.db2.gz PVGUIUCSTUFMLS-YOEHRIQHSA-N 1 1 332.404 0.124 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001071206413 784735247 /nfs/dbraw/zinc/73/52/47/784735247.db2.gz JWHUJAKSNQGIEK-DNVCBOLYSA-N 1 1 341.411 0.215 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001071206413 784735252 /nfs/dbraw/zinc/73/52/52/784735252.db2.gz JWHUJAKSNQGIEK-DNVCBOLYSA-N 1 1 341.411 0.215 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@H](C)O2 ZINC001071208971 784739326 /nfs/dbraw/zinc/73/93/26/784739326.db2.gz CAUBFAIGGFXXLH-YOEHRIQHSA-N 1 1 331.420 0.073 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CCO)C3)C2)c1 ZINC001071211710 784748162 /nfs/dbraw/zinc/74/81/62/784748162.db2.gz MOXDDHJXVUIBLM-RDTXWAMCSA-N 1 1 329.400 0.361 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1nccc1C)C[C@H](C)O2 ZINC001071216489 784757814 /nfs/dbraw/zinc/75/78/14/784757814.db2.gz RCBVABGOCWCTNU-WMZOPIPTSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nccc1C)C[C@@H](C)O2 ZINC001071216894 784758420 /nfs/dbraw/zinc/75/84/20/784758420.db2.gz XVTVJLFECSVXDW-AEFFLSMTSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C[C@@H](C)O2 ZINC001071218162 784761210 /nfs/dbraw/zinc/76/12/10/784761210.db2.gz JYLIEPHYTSVERE-FZKQIMNGSA-N 1 1 349.431 0.307 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cnccc1=O)C[C@H](C)O2 ZINC001071225788 784782095 /nfs/dbraw/zinc/78/20/95/784782095.db2.gz PSXGJFZUFZEELI-MAUKXSAKSA-N 1 1 346.431 0.511 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@@H](C)O2 ZINC001071225593 784783008 /nfs/dbraw/zinc/78/30/08/784783008.db2.gz MRLHPJRBIXPSTG-SJKOYZFVSA-N 1 1 332.404 0.605 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@H](C)O2 ZINC001071229827 784791612 /nfs/dbraw/zinc/79/16/12/784791612.db2.gz AQSPUHUTIAMXOJ-HNAYVOBHSA-N 1 1 343.427 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@@H](C)O2 ZINC001071231405 784794348 /nfs/dbraw/zinc/79/43/48/784794348.db2.gz QAELHOCPHYOESC-RDTXWAMCSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@@H](C)O2 ZINC001071231646 784795652 /nfs/dbraw/zinc/79/56/52/784795652.db2.gz SDXGJUNYQQPTIF-KDOFPFPSSA-N 1 1 329.400 0.324 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2CCC2)C1 ZINC001070900465 784807591 /nfs/dbraw/zinc/80/75/91/784807591.db2.gz NFUIACIJMKGJEJ-XHSDSOJGSA-N 1 1 331.416 0.916 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2CCC2)C1 ZINC001070900465 784807600 /nfs/dbraw/zinc/80/76/00/784807600.db2.gz NFUIACIJMKGJEJ-XHSDSOJGSA-N 1 1 331.416 0.916 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@@H](C)O2 ZINC001071239084 784808442 /nfs/dbraw/zinc/80/84/42/784808442.db2.gz WGFOQRQVIBSRKE-APWZRJJASA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@@H](C)O2 ZINC001071239225 784810247 /nfs/dbraw/zinc/81/02/47/784810247.db2.gz YJAQRIYNSWURCQ-KDOFPFPSSA-N 1 1 344.415 0.109 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)CSCC#N)C2)C1 ZINC001071346370 784987323 /nfs/dbraw/zinc/98/73/23/784987323.db2.gz NVVRVIXAIUTRPK-UONOGXRCSA-N 1 1 338.477 0.692 20 30 ECEDMO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001068751803 791070988 /nfs/dbraw/zinc/07/09/88/791070988.db2.gz SJKDPIUJLPPMMJ-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001071346013 784987437 /nfs/dbraw/zinc/98/74/37/784987437.db2.gz AYGGNQHPKWPOMC-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071511138 785222907 /nfs/dbraw/zinc/22/29/07/785222907.db2.gz JTIGEVMOAPDPJG-RYUDHWBXSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071511138 785222915 /nfs/dbraw/zinc/22/29/15/785222915.db2.gz JTIGEVMOAPDPJG-RYUDHWBXSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001071514786 785231776 /nfs/dbraw/zinc/23/17/76/785231776.db2.gz PBEUTYZIWUGWMI-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC[C@H]1C ZINC001071610285 785392774 /nfs/dbraw/zinc/39/27/74/785392774.db2.gz RPWHDHZBHBCABV-UKRRQHHQSA-N 1 1 328.416 0.715 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C2)nc1 ZINC001071998474 785501486 /nfs/dbraw/zinc/50/14/86/785501486.db2.gz JGGBGSVBBMACFS-UKRRQHHQSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)N(C)C)C2)nc1 ZINC001071998474 785501491 /nfs/dbraw/zinc/50/14/91/785501491.db2.gz JGGBGSVBBMACFS-UKRRQHHQSA-N 1 1 328.416 0.734 20 30 ECEDMO C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072258872 785903675 /nfs/dbraw/zinc/90/36/75/785903675.db2.gz HBUUGWCKTJPLKO-VXGBXAGGSA-N 1 1 342.407 0.298 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)cn1 ZINC001072287360 785983699 /nfs/dbraw/zinc/98/36/99/785983699.db2.gz VTGBLFHPAUINPX-YOEHRIQHSA-N 1 1 342.443 0.980 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001072336092 786041732 /nfs/dbraw/zinc/04/17/32/786041732.db2.gz IUDOAMKJEBVYRT-UKRRQHHQSA-N 1 1 334.420 0.747 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C2)cn1 ZINC001072467406 786225044 /nfs/dbraw/zinc/22/50/44/786225044.db2.gz HINZETVDPJHNDV-WMLDXEAASA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cnns4)C3)C2)C1=O ZINC001072514379 786311008 /nfs/dbraw/zinc/31/10/08/786311008.db2.gz AQIKKQDQZAMTQS-LBPRGKRZSA-N 1 1 347.444 0.473 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)C2 ZINC001072552123 786356739 /nfs/dbraw/zinc/35/67/39/786356739.db2.gz MOXUQIJNIDLQLG-KBPBESRZSA-N 1 1 339.461 0.505 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)Cc4cc[nH]n4)C3)C2)C1=O ZINC001072572019 786380255 /nfs/dbraw/zinc/38/02/55/786380255.db2.gz DNWMRLJRSILFRN-OAHLLOKOSA-N 1 1 343.431 0.273 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)Cc4ccn[nH]4)C3)C2)C1=O ZINC001072572019 786380262 /nfs/dbraw/zinc/38/02/62/786380262.db2.gz DNWMRLJRSILFRN-OAHLLOKOSA-N 1 1 343.431 0.273 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)Cc4ccn[nH]4)C3)C2)C1=O ZINC001072572019 786380269 /nfs/dbraw/zinc/38/02/69/786380269.db2.gz DNWMRLJRSILFRN-OAHLLOKOSA-N 1 1 343.431 0.273 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)c3ccco3)C2)C1=O ZINC001073517690 786452550 /nfs/dbraw/zinc/45/25/50/786452550.db2.gz WQOCHRXNXQSWCN-CABCVRRESA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)c3ccco3)C2)C1=O ZINC001073517690 786452553 /nfs/dbraw/zinc/45/25/53/786452553.db2.gz WQOCHRXNXQSWCN-CABCVRRESA-N 1 1 347.415 0.887 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 ZINC001074226033 786464212 /nfs/dbraw/zinc/46/42/12/786464212.db2.gz JSSCHTQPDBVZFZ-HZPDHXFCSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 ZINC001074226033 786464217 /nfs/dbraw/zinc/46/42/17/786464217.db2.gz JSSCHTQPDBVZFZ-HZPDHXFCSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 ZINC001074226990 786465990 /nfs/dbraw/zinc/46/59/90/786465990.db2.gz ZWOAZGKZEXKZOS-ZIAGYGMSSA-N 1 1 335.404 0.860 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 ZINC001074226990 786465992 /nfs/dbraw/zinc/46/59/92/786465992.db2.gz ZWOAZGKZEXKZOS-ZIAGYGMSSA-N 1 1 335.404 0.860 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001073549582 786554709 /nfs/dbraw/zinc/55/47/09/786554709.db2.gz OVYCOWSZLHNQCW-INIZCTEOSA-N 1 1 334.464 0.402 20 30 ECEDMO C=C(C)CCC(=O)N1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001073552658 786568396 /nfs/dbraw/zinc/56/83/96/786568396.db2.gz FCWLNSHTYFCGOT-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC001074334984 786697120 /nfs/dbraw/zinc/69/71/20/786697120.db2.gz DXJUQKCBYBECFY-IXDOHACOSA-N 1 1 349.475 0.838 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074341741 786713699 /nfs/dbraw/zinc/71/36/99/786713699.db2.gz XADHWVMDXYXNBH-GJZGRUSLSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074341741 786713704 /nfs/dbraw/zinc/71/37/04/786713704.db2.gz XADHWVMDXYXNBH-GJZGRUSLSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC001073601985 786750158 /nfs/dbraw/zinc/75/01/58/786750158.db2.gz PLTVZYVGJRGYLO-NVXWUHKLSA-N 1 1 348.491 0.505 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3ccnn32)C1 ZINC001073631584 786820908 /nfs/dbraw/zinc/82/09/08/786820908.db2.gz RJEUSOFUFAZQGC-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001073634581 786829946 /nfs/dbraw/zinc/82/99/46/786829946.db2.gz TWZBUBUJJSAPJQ-GDBMZVCRSA-N 1 1 328.416 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001073634581 786829958 /nfs/dbraw/zinc/82/99/58/786829958.db2.gz TWZBUBUJJSAPJQ-GDBMZVCRSA-N 1 1 328.416 0.422 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001073660390 786901217 /nfs/dbraw/zinc/90/12/17/786901217.db2.gz CQAFMTOJHGUMHH-IRXDYDNUSA-N 1 1 344.459 0.984 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001073661098 786904586 /nfs/dbraw/zinc/90/45/86/786904586.db2.gz WBXSEROKFMPMGU-AWEZNQCLSA-N 1 1 334.420 0.810 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCn3nccc32)C1 ZINC001073667665 786918647 /nfs/dbraw/zinc/91/86/47/786918647.db2.gz LPPFKCDYPWKTFQ-JKSUJKDBSA-N 1 1 330.432 0.991 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001073667893 786919507 /nfs/dbraw/zinc/91/95/07/786919507.db2.gz QRVXMVHNZMKFLC-ZDUSSCGKSA-N 1 1 345.403 0.745 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2COC)C1 ZINC001073668032 786920467 /nfs/dbraw/zinc/92/04/67/786920467.db2.gz UWEPHINHHAMHKZ-AWEZNQCLSA-N 1 1 334.420 0.411 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001073670373 786925625 /nfs/dbraw/zinc/92/56/25/786925625.db2.gz HHQGGRDBPXJREI-CVEARBPZSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001073675000 786942454 /nfs/dbraw/zinc/94/24/54/786942454.db2.gz VHSOJOBWYVSQJE-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001073675000 786942460 /nfs/dbraw/zinc/94/24/60/786942460.db2.gz VHSOJOBWYVSQJE-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073678633 786951765 /nfs/dbraw/zinc/95/17/65/786951765.db2.gz AURLIYDQYYBWJD-LBPRGKRZSA-N 1 1 330.388 0.583 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073679533 786953846 /nfs/dbraw/zinc/95/38/46/786953846.db2.gz OKAQCXRTYDYVDZ-GFCCVEGCSA-N 1 1 328.372 0.030 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073679533 786953853 /nfs/dbraw/zinc/95/38/53/786953853.db2.gz OKAQCXRTYDYVDZ-GFCCVEGCSA-N 1 1 328.372 0.030 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001073709970 787019917 /nfs/dbraw/zinc/01/99/17/787019917.db2.gz NAQCOMJNADAHET-ZDUSSCGKSA-N 1 1 341.415 0.974 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001073709970 787019931 /nfs/dbraw/zinc/01/99/31/787019931.db2.gz NAQCOMJNADAHET-ZDUSSCGKSA-N 1 1 341.415 0.974 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001073709893 787020153 /nfs/dbraw/zinc/02/01/53/787020153.db2.gz LAMPQQTWPDZMPL-HZPDHXFCSA-N 1 1 345.447 0.379 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2CCCC)C1 ZINC001073713050 787028580 /nfs/dbraw/zinc/02/85/80/787028580.db2.gz RWDXJTABNIQJFA-IAGOWNOFSA-N 1 1 337.464 0.328 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2CCCC)C1 ZINC001073713050 787028585 /nfs/dbraw/zinc/02/85/85/787028585.db2.gz RWDXJTABNIQJFA-IAGOWNOFSA-N 1 1 337.464 0.328 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001073716955 787042280 /nfs/dbraw/zinc/04/22/80/787042280.db2.gz RGNJJCCMRGKOKD-OAHLLOKOSA-N 1 1 342.403 0.669 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(=O)NC)CCCO2)cc1 ZINC001073723365 787062427 /nfs/dbraw/zinc/06/24/27/787062427.db2.gz HSLDXALCEWQMKL-RHSMWYFYSA-N 1 1 343.427 0.623 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)CCCO2)cc1 ZINC001073723365 787062438 /nfs/dbraw/zinc/06/24/38/787062438.db2.gz HSLDXALCEWQMKL-RHSMWYFYSA-N 1 1 343.427 0.623 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3cccnc23)C1 ZINC001073724091 787064608 /nfs/dbraw/zinc/06/46/08/787064608.db2.gz QWBUDPYXYRZTJG-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3cccnc23)C1 ZINC001073724091 787064617 /nfs/dbraw/zinc/06/46/17/787064617.db2.gz QWBUDPYXYRZTJG-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001073741167 787094888 /nfs/dbraw/zinc/09/48/88/787094888.db2.gz PFINVCYFABPWFM-ZBFHGGJFSA-N 1 1 332.448 0.918 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)CCCO2)c1 ZINC001073763004 787152518 /nfs/dbraw/zinc/15/25/18/787152518.db2.gz SQHMZTNWZBUWDF-CVEARBPZSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)CCCO2)c1 ZINC001073763004 787152522 /nfs/dbraw/zinc/15/25/22/787152522.db2.gz SQHMZTNWZBUWDF-CVEARBPZSA-N 1 1 344.415 0.148 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001073778722 787188752 /nfs/dbraw/zinc/18/87/52/787188752.db2.gz HOMZROKMCCXBIJ-LSDHHAIUSA-N 1 1 348.451 0.409 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3cc(C)cnc23)C1 ZINC001073796049 787218138 /nfs/dbraw/zinc/21/81/38/787218138.db2.gz JAGZBZVDCAZAAZ-AWEZNQCLSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3cc(C)cnc23)C1 ZINC001073796049 787218142 /nfs/dbraw/zinc/21/81/42/787218142.db2.gz JAGZBZVDCAZAAZ-AWEZNQCLSA-N 1 1 327.388 0.492 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)nn1 ZINC001073813437 787245674 /nfs/dbraw/zinc/24/56/74/787245674.db2.gz ZELHZEZRCIYXMA-AWEZNQCLSA-N 1 1 337.424 0.057 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)s2)C1 ZINC001073815894 787250580 /nfs/dbraw/zinc/25/05/80/787250580.db2.gz OLMWABGAANVYTF-LBPRGKRZSA-N 1 1 335.429 0.691 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001073822005 787268755 /nfs/dbraw/zinc/26/87/55/787268755.db2.gz YBIMQEVFRGPUTI-HNNXBMFYSA-N 1 1 342.399 0.797 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001073822005 787268763 /nfs/dbraw/zinc/26/87/63/787268763.db2.gz YBIMQEVFRGPUTI-HNNXBMFYSA-N 1 1 342.399 0.797 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001073824711 787277358 /nfs/dbraw/zinc/27/73/58/787277358.db2.gz VQLPRWNDGLFRGI-CYBMUJFWSA-N 1 1 330.392 0.521 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001073836522 787314339 /nfs/dbraw/zinc/31/43/39/787314339.db2.gz DJGZPXMOWHDFPP-GJZGRUSLSA-N 1 1 349.435 0.321 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2(O)CCN(C(=O)C#CC3CC3)CC2)CC[N@H+]1C ZINC001074582057 787322704 /nfs/dbraw/zinc/32/27/04/787322704.db2.gz FWFGDEULFPAZFL-GDBMZVCRSA-N 1 1 347.459 0.210 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3nc[nH]n3)[C@H]2C)C1=O ZINC001074591889 787343939 /nfs/dbraw/zinc/34/39/39/787343939.db2.gz YVVUPAHFULJMTI-IHRRRGAJSA-N 1 1 346.435 0.103 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074593223 787347534 /nfs/dbraw/zinc/34/75/34/787347534.db2.gz KURWBBGGTIKSED-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001073848161 787348110 /nfs/dbraw/zinc/34/81/10/787348110.db2.gz QPTSMVUNYQMNMM-UONOGXRCSA-N 1 1 335.408 0.246 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001073856259 787371255 /nfs/dbraw/zinc/37/12/55/787371255.db2.gz ARHMJMYRHRHLPX-LBPRGKRZSA-N 1 1 331.376 0.442 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001073883450 787430335 /nfs/dbraw/zinc/43/03/35/787430335.db2.gz OBQPDUHHPMJXBN-HNNXBMFYSA-N 1 1 346.431 0.497 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001073883822 787430969 /nfs/dbraw/zinc/43/09/69/787430969.db2.gz YQRVDYXFRWAJJX-HNNXBMFYSA-N 1 1 330.384 0.912 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001073883822 787430976 /nfs/dbraw/zinc/43/09/76/787430976.db2.gz YQRVDYXFRWAJJX-HNNXBMFYSA-N 1 1 330.384 0.912 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001073893337 787457738 /nfs/dbraw/zinc/45/77/38/787457738.db2.gz QZSHKUINSXVJRW-QGZVFWFLSA-N 1 1 343.427 0.890 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001073895938 787463353 /nfs/dbraw/zinc/46/33/53/787463353.db2.gz GMPNXGYBFKKLBT-GDBMZVCRSA-N 1 1 332.375 0.970 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001073895938 787463358 /nfs/dbraw/zinc/46/33/58/787463358.db2.gz GMPNXGYBFKKLBT-GDBMZVCRSA-N 1 1 332.375 0.970 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001074634725 787463527 /nfs/dbraw/zinc/46/35/27/787463527.db2.gz LCORZDHWHVJFRI-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)cs2)C1 ZINC001073902164 787483942 /nfs/dbraw/zinc/48/39/42/787483942.db2.gz VWYMGZKYPKUANI-CYBMUJFWSA-N 1 1 335.429 0.691 20 30 ECEDMO C[N@@H+](C[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCNC1=O ZINC001073995186 787643774 /nfs/dbraw/zinc/64/37/74/787643774.db2.gz FEQLBYBLZJNVPE-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001074062200 787793054 /nfs/dbraw/zinc/79/30/54/787793054.db2.gz CDMCWXZUOORXSP-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)CSCC#N)C[C@@H]1C ZINC001074064440 787799679 /nfs/dbraw/zinc/79/96/79/787799679.db2.gz YNDNDSBPUIJQAX-JSGCOSHPSA-N 1 1 349.460 0.802 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001074091550 787861127 /nfs/dbraw/zinc/86/11/27/787861127.db2.gz YPOQGHUPSRUXRD-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@H+](C)[C@@H]2CCNC2=O)nc1 ZINC001074093159 787867932 /nfs/dbraw/zinc/86/79/32/787867932.db2.gz OASMSHBIGOHIAE-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC001072732221 788664280 /nfs/dbraw/zinc/66/42/80/788664280.db2.gz AJWLYNDDMULKOO-AWEZNQCLSA-N 1 1 341.415 0.320 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001074991799 788681666 /nfs/dbraw/zinc/68/16/66/788681666.db2.gz YPHBKEIKZVUPSI-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001074993568 788684794 /nfs/dbraw/zinc/68/47/94/788684794.db2.gz RDQFZIRAOJKVFI-HOCLYGCPSA-N 1 1 346.431 0.727 20 30 ECEDMO O=C(Cn1ncnn1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001072741156 788685196 /nfs/dbraw/zinc/68/51/96/788685196.db2.gz ZWMDKLIUKJBSQD-UHFFFAOYSA-N 1 1 336.399 0.259 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001075000079 788699797 /nfs/dbraw/zinc/69/97/97/788699797.db2.gz SUXGHBZYCRPDLO-ZFWWWQNUSA-N 1 1 334.420 0.890 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001072748172 788707423 /nfs/dbraw/zinc/70/74/23/788707423.db2.gz VTHOCDBXXLDHBQ-OAGGEKHMSA-N 1 1 347.459 0.781 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001072756363 788728605 /nfs/dbraw/zinc/72/86/05/788728605.db2.gz PJOXAOIARRVUGQ-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001075070520 788848743 /nfs/dbraw/zinc/84/87/43/788848743.db2.gz YVGBEQYNZDUHPR-GOEBONIOSA-N 1 1 346.431 0.727 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)N(C)C)C2)C1 ZINC001072813324 788863387 /nfs/dbraw/zinc/86/33/87/788863387.db2.gz MTQAXCZHNXKKJD-INIZCTEOSA-N 1 1 329.448 0.371 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2 ZINC001072822928 788891210 /nfs/dbraw/zinc/89/12/10/788891210.db2.gz WUEWQMHBGGVPLT-HOTGVXAUSA-N 1 1 346.475 0.095 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001075090716 788891668 /nfs/dbraw/zinc/89/16/68/788891668.db2.gz JYSZINSFQIITCY-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cnc4sccn4c3=O)C2)C1 ZINC001072902966 789074987 /nfs/dbraw/zinc/07/49/87/789074987.db2.gz JIWBQIVGYRWHLP-UHFFFAOYSA-N 1 1 342.424 0.927 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4CNC(=O)N4)C3)C2)c1 ZINC001072932936 789132842 /nfs/dbraw/zinc/13/28/42/789132842.db2.gz ZSYARNKGPATHKZ-OAHLLOKOSA-N 1 1 339.399 0.274 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001072999513 789254364 /nfs/dbraw/zinc/25/43/64/789254364.db2.gz CGBYCGLVDMSWER-BMFZPTHFSA-N 1 1 347.459 0.779 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)C3(N4CCOCC4)CCCC3)C2)C1 ZINC001073026937 789297758 /nfs/dbraw/zinc/29/77/58/789297758.db2.gz UBHIOCIOZBLRTC-UHFFFAOYSA-N 1 1 331.460 0.799 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC001073028332 789302566 /nfs/dbraw/zinc/30/25/66/789302566.db2.gz JDGMINZFPAKALF-UHFFFAOYSA-N 1 1 326.462 0.922 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC001073028328 789302867 /nfs/dbraw/zinc/30/28/67/789302867.db2.gz JCGZGGRKQMLRBD-UHFFFAOYSA-N 1 1 326.462 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC001073028328 789302878 /nfs/dbraw/zinc/30/28/78/789302878.db2.gz JCGZGGRKQMLRBD-UHFFFAOYSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001075389132 789316496 /nfs/dbraw/zinc/31/64/96/789316496.db2.gz YAVWCMDRBRYOLL-HZPDHXFCSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC001075408440 789333366 /nfs/dbraw/zinc/33/33/66/789333366.db2.gz GIYGUCWFGSWDJS-YJBOKZPZSA-N 1 1 345.447 0.746 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CC[N@H+]([C@H](CC)C(N)=O)C3)nn1 ZINC001073047307 789342805 /nfs/dbraw/zinc/34/28/05/789342805.db2.gz CVSBMSQSUYWOTF-CQSZACIVSA-N 1 1 346.435 0.266 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC1CC1)C2 ZINC001073051328 789349214 /nfs/dbraw/zinc/34/92/14/789349214.db2.gz ZHPORIKOSWRBQR-RDJZCZTQSA-N 1 1 347.459 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC1CC1)C2 ZINC001073051328 789349220 /nfs/dbraw/zinc/34/92/20/789349220.db2.gz ZHPORIKOSWRBQR-RDJZCZTQSA-N 1 1 347.459 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(=O)N(C)C)C2 ZINC001073052120 789349793 /nfs/dbraw/zinc/34/97/93/789349793.db2.gz DTZSSZCYOOTHGN-PMPSAXMXSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](CC)C(N)=O)C2 ZINC001073052392 789350552 /nfs/dbraw/zinc/35/05/52/789350552.db2.gz QWVHRCPSNOSHKM-KKUMJFAQSA-N 1 1 335.448 0.766 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccc(-n4ccnc4)nn3)C2)C1 ZINC001073056109 789361602 /nfs/dbraw/zinc/36/16/02/789361602.db2.gz PUCKERDNDWSPDB-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC001073103770 789446568 /nfs/dbraw/zinc/44/65/68/789446568.db2.gz LMDZFDYCINRCNN-UHFFFAOYSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cn(C4CCOCC4)nn3)C2)C1 ZINC001073109012 789453857 /nfs/dbraw/zinc/45/38/57/789453857.db2.gz QANBKPBHQOKKTF-UHFFFAOYSA-N 1 1 343.431 0.801 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC001073110924 789457034 /nfs/dbraw/zinc/45/70/34/789457034.db2.gz OIYMSLDVGJTGGK-CQSZACIVSA-N 1 1 331.420 0.964 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(N)=O)C2 ZINC001073135578 789507129 /nfs/dbraw/zinc/50/71/29/789507129.db2.gz JUXMQLNADCJMGC-CYBMUJFWSA-N 1 1 342.399 0.115 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(N)=O)C2 ZINC001073135578 789507136 /nfs/dbraw/zinc/50/71/36/789507136.db2.gz JUXMQLNADCJMGC-CYBMUJFWSA-N 1 1 342.399 0.115 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C2)C1 ZINC001073135679 789507343 /nfs/dbraw/zinc/50/73/43/789507343.db2.gz LMSUSVCCTKPSMV-UHFFFAOYSA-N 1 1 337.379 0.741 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001073260559 789669114 /nfs/dbraw/zinc/66/91/14/789669114.db2.gz NFPBJTHSCYGSFC-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H](C)OC)C(C)(C)C1 ZINC001073332126 789740133 /nfs/dbraw/zinc/74/01/33/789740133.db2.gz VYXCUCOLPVMFLY-JYJNAYRXSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H](C)OC)C(C)(C)C1 ZINC001073332126 789740136 /nfs/dbraw/zinc/74/01/36/789740136.db2.gz VYXCUCOLPVMFLY-JYJNAYRXSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001073396421 789788393 /nfs/dbraw/zinc/78/83/93/789788393.db2.gz OJNJDNGMCMZOKG-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)NC1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001069385197 789791655 /nfs/dbraw/zinc/79/16/55/789791655.db2.gz RNIKZQCWSOUPOL-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)(NC(=O)COC)CC1 ZINC001069447311 789828484 /nfs/dbraw/zinc/82/84/84/789828484.db2.gz SGTSPAXRYBPSCO-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)(NC(=O)COC)CC1 ZINC001069447311 789828488 /nfs/dbraw/zinc/82/84/88/789828488.db2.gz SGTSPAXRYBPSCO-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3ncccc3C#N)C(C)(C)C2)C1 ZINC001069553192 789895510 /nfs/dbraw/zinc/89/55/10/789895510.db2.gz QTXDWHYMGCGDRG-GJZGRUSLSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3ncccc3C#N)C(C)(C)C2)C1 ZINC001069553192 789895516 /nfs/dbraw/zinc/89/55/16/789895516.db2.gz QTXDWHYMGCGDRG-GJZGRUSLSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3cnc(C#N)cn3)C(C)(C)C2)C1 ZINC001069553585 789896359 /nfs/dbraw/zinc/89/63/59/789896359.db2.gz ZWAGDAMHDIPFFV-UONOGXRCSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3cnc(C#N)cn3)C(C)(C)C2)C1 ZINC001069553585 789896367 /nfs/dbraw/zinc/89/63/67/789896367.db2.gz ZWAGDAMHDIPFFV-UONOGXRCSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](Nc3ccncc3C#N)C(C)(C)C2)C1 ZINC001069572232 789908283 /nfs/dbraw/zinc/90/82/83/789908283.db2.gz PQDPTTRTYGGWCW-CJNGLKHVSA-N 1 1 327.432 0.976 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069596660 789925893 /nfs/dbraw/zinc/92/58/93/789925893.db2.gz GCBJNIFUCOLKBT-ZDUSSCGKSA-N 1 1 339.403 0.624 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC(Nc2ccncc2C#N)C1 ZINC001069719497 789986444 /nfs/dbraw/zinc/98/64/44/789986444.db2.gz NEWOBVVVVTWXPK-XUJLQICISA-N 1 1 329.404 0.107 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC(Nc2ccncc2C#N)C1 ZINC001069719497 789986448 /nfs/dbraw/zinc/98/64/48/789986448.db2.gz NEWOBVVVVTWXPK-XUJLQICISA-N 1 1 329.404 0.107 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC(Nc3cnc(C#N)cn3)C2)C1 ZINC001069746497 790004646 /nfs/dbraw/zinc/00/46/46/790004646.db2.gz WXLUMNMHMHHCQD-ZALBZXLWSA-N 1 1 344.419 0.470 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC(Nc3cnc(C#N)cn3)C2)C1 ZINC001069746497 790004653 /nfs/dbraw/zinc/00/46/53/790004653.db2.gz WXLUMNMHMHHCQD-ZALBZXLWSA-N 1 1 344.419 0.470 20 30 ECEDMO C=CCOCC(=O)N1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001069752037 790009645 /nfs/dbraw/zinc/00/96/45/790009645.db2.gz AROYNOFZCHDSSX-LPHOPBHVSA-N 1 1 349.475 0.982 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 ZINC001069814695 790048644 /nfs/dbraw/zinc/04/86/44/790048644.db2.gz AHTSYVHEQHFJIE-HNNXBMFYSA-N 1 1 326.404 0.695 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CC#CC)CC2 ZINC001069863570 790118245 /nfs/dbraw/zinc/11/82/45/790118245.db2.gz YVZQEVQNCAUABR-KRWDZBQOSA-N 1 1 339.443 0.436 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CC#CC)CC2 ZINC001069863570 790118248 /nfs/dbraw/zinc/11/82/48/790118248.db2.gz YVZQEVQNCAUABR-KRWDZBQOSA-N 1 1 339.443 0.436 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)c2C1 ZINC001069870856 790132289 /nfs/dbraw/zinc/13/22/89/790132289.db2.gz XGGYPNGHTFQOHT-QGZVFWFLSA-N 1 1 345.447 0.057 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069892766 790160698 /nfs/dbraw/zinc/16/06/98/790160698.db2.gz OEFIBNLJISETRV-OLZOCXBDSA-N 1 1 329.364 0.005 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069892766 790160701 /nfs/dbraw/zinc/16/07/01/790160701.db2.gz OEFIBNLJISETRV-OLZOCXBDSA-N 1 1 329.364 0.005 20 30 ECEDMO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907590 790176545 /nfs/dbraw/zinc/17/65/45/790176545.db2.gz DEQQXRVIZAEOTE-DFBGVHRSSA-N 1 1 343.391 0.168 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnnn2CC)[C@@H](n2ccnn2)C1 ZINC001069921656 790192152 /nfs/dbraw/zinc/19/21/52/790192152.db2.gz SNXPAGXEIOZTRX-OCCSQVGLSA-N 1 1 330.396 0.121 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928948 790201498 /nfs/dbraw/zinc/20/14/98/790201498.db2.gz NBOZAUGAFJIPCS-BBWFWOEESA-N 1 1 344.463 0.538 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(CC)ccn2)[C@@H](n2ccnn2)C1 ZINC001069936708 790210345 /nfs/dbraw/zinc/21/03/45/790210345.db2.gz PDYYHWQVLNVGRM-SJORKVTESA-N 1 1 338.415 0.914 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)ccn2)[C@@H](n2ccnn2)C1 ZINC001069936708 790210349 /nfs/dbraw/zinc/21/03/49/790210349.db2.gz PDYYHWQVLNVGRM-SJORKVTESA-N 1 1 338.415 0.914 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)[C@@H](n2ccnn2)C1 ZINC001069942363 790218478 /nfs/dbraw/zinc/21/84/78/790218478.db2.gz YSMLMZRAWIPBFD-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)[C@@H](n2ccnn2)C1 ZINC001069942363 790218483 /nfs/dbraw/zinc/21/84/83/790218483.db2.gz YSMLMZRAWIPBFD-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069944916 790222441 /nfs/dbraw/zinc/22/24/41/790222441.db2.gz AEMKEXTUWQRQJV-KFWWJZLASA-N 1 1 339.403 0.027 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c(C)nnn2CC)[C@@H](n2ccnn2)C1 ZINC001069945863 790224374 /nfs/dbraw/zinc/22/43/74/790224374.db2.gz ZOEDCMWAVCTGLD-KGLIPLIRSA-N 1 1 344.423 0.429 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(C)nnn2CC)[C@@H](n2ccnn2)C1 ZINC001069945863 790224381 /nfs/dbraw/zinc/22/43/81/790224381.db2.gz ZOEDCMWAVCTGLD-KGLIPLIRSA-N 1 1 344.423 0.429 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc3cccn3cn2)[C@@H](n2ccnn2)C1 ZINC001069957323 790239239 /nfs/dbraw/zinc/23/92/39/790239239.db2.gz YZQZQYBJBUZJNZ-SJORKVTESA-N 1 1 349.398 0.604 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3cccn3cn2)[C@@H](n2ccnn2)C1 ZINC001069957323 790239245 /nfs/dbraw/zinc/23/92/45/790239245.db2.gz YZQZQYBJBUZJNZ-SJORKVTESA-N 1 1 349.398 0.604 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959283 790241400 /nfs/dbraw/zinc/24/14/00/790241400.db2.gz NJHYTXITNRBGIU-PMPSAXMXSA-N 1 1 330.436 0.127 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069960366 790242952 /nfs/dbraw/zinc/24/29/52/790242952.db2.gz TZQMUMJIFHBGCT-CVEARBPZSA-N 1 1 344.394 0.973 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@@H](n2ccnn2)C1 ZINC001069962170 790245707 /nfs/dbraw/zinc/24/57/07/790245707.db2.gz IKPLEXLSGYXPOR-KFWWJZLASA-N 1 1 341.419 0.265 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@@H](n2ccnn2)C1 ZINC001069962170 790245711 /nfs/dbraw/zinc/24/57/11/790245711.db2.gz IKPLEXLSGYXPOR-KFWWJZLASA-N 1 1 341.419 0.265 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068821824 791198694 /nfs/dbraw/zinc/19/86/94/791198694.db2.gz QPPMCSBKOULGSG-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001068837930 791232557 /nfs/dbraw/zinc/23/25/57/791232557.db2.gz CDQJRUXOYYLPPQ-HNNXBMFYSA-N 1 1 344.415 0.481 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068890562 791351831 /nfs/dbraw/zinc/35/18/31/791351831.db2.gz XUPMGJFDXZEQSF-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@@H+](C)C(C)C)CO2 ZINC001068899284 791368218 /nfs/dbraw/zinc/36/82/18/791368218.db2.gz LGPJGPGJEIYDLQ-HNNXBMFYSA-N 1 1 335.448 0.472 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001068912662 791405418 /nfs/dbraw/zinc/40/54/18/791405418.db2.gz LOHUIDOJFNPBQE-OLZOCXBDSA-N 1 1 336.436 0.362 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068935125 791454278 /nfs/dbraw/zinc/45/42/78/791454278.db2.gz MEMPIMJHHWFKHX-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H]1[C@@H](Nc2ccnc(C#N)n2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001068972871 791528908 /nfs/dbraw/zinc/52/89/08/791528908.db2.gz DBFGJCSYOUPPDJ-OCCSQVGLSA-N 1 1 328.420 0.656 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H](C)C#N)CO2 ZINC001069007482 791583728 /nfs/dbraw/zinc/58/37/28/791583728.db2.gz GKMOMMMTCKRFLF-QWHCGFSZSA-N 1 1 336.436 0.362 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)C[C@H]1C ZINC001069107865 791707925 /nfs/dbraw/zinc/70/79/25/791707925.db2.gz SVDDQVWHOQCCON-DGCLKSJQSA-N 1 1 325.376 0.377 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)C[C@H]1C ZINC001069176414 791759844 /nfs/dbraw/zinc/75/98/44/791759844.db2.gz SHCDEYCSPHPXAO-RISCZKNCSA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001066675251 791966223 /nfs/dbraw/zinc/96/62/23/791966223.db2.gz FSPREBGJBWZGHZ-GOEBONIOSA-N 1 1 343.431 0.934 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](CNc2ccncc2C#N)C1 ZINC001066675453 791967769 /nfs/dbraw/zinc/96/77/69/791967769.db2.gz KDIUBEZBBFFVNQ-GOEBONIOSA-N 1 1 343.431 0.499 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNc3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001066685738 791985283 /nfs/dbraw/zinc/98/52/83/791985283.db2.gz DKJRVZHJBSDNOF-VHDGCEQUSA-N 1 1 344.419 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2nccnc2F)C1 ZINC001066690233 792000054 /nfs/dbraw/zinc/00/00/54/792000054.db2.gz RJOSNWROTYVTJO-KGLIPLIRSA-N 1 1 347.394 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2nccnc2F)C1 ZINC001066690233 792000061 /nfs/dbraw/zinc/00/00/61/792000061.db2.gz RJOSNWROTYVTJO-KGLIPLIRSA-N 1 1 347.394 0.353 20 30 ECEDMO CCCC(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066697714 792014154 /nfs/dbraw/zinc/01/41/54/792014154.db2.gz AVBOKADOMFXEPX-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)CC2)C1 ZINC001066737004 792072407 /nfs/dbraw/zinc/07/24/07/792072407.db2.gz YIIIWHJOFLTHCF-DOTOQJQBSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)CC2)C1 ZINC001066737004 792072412 /nfs/dbraw/zinc/07/24/12/792072412.db2.gz YIIIWHJOFLTHCF-DOTOQJQBSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)CC2)C1 ZINC001066749782 792095373 /nfs/dbraw/zinc/09/53/73/792095373.db2.gz AESZKEYZSVXFQS-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1ccc(C#N)nn1 ZINC001067741936 792210698 /nfs/dbraw/zinc/21/06/98/792210698.db2.gz DHNGTUDHAVNMAE-GJZGRUSLSA-N 1 1 328.420 0.870 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1CN(C)c1cnc(C#N)cn1 ZINC001067782622 792278975 /nfs/dbraw/zinc/27/89/75/792278975.db2.gz ZDQPVXYFUAKZGC-HNNXBMFYSA-N 1 1 339.403 0.981 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2cncc(C#N)n2)C1 ZINC001066891236 792294240 /nfs/dbraw/zinc/29/42/40/792294240.db2.gz XOZAWEFHXOPXMW-YOEHRIQHSA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2ccncc2C#N)C1 ZINC001066891266 792294749 /nfs/dbraw/zinc/29/47/49/792294749.db2.gz XWVLCLMRXOMSQS-AEFFLSMTSA-N 1 1 343.431 0.235 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(Nc3cncc(C#N)n3)C2)C1 ZINC001066905921 792338702 /nfs/dbraw/zinc/33/87/02/792338702.db2.gz FWXXBDZHPLZQOF-GUYCJALGSA-N 1 1 344.419 0.065 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](CC)OC ZINC001066978995 792505385 /nfs/dbraw/zinc/50/53/85/792505385.db2.gz IEHBJRZTXUMBHT-HOTGVXAUSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](CC)OC ZINC001066978995 792505392 /nfs/dbraw/zinc/50/53/92/792505392.db2.gz IEHBJRZTXUMBHT-HOTGVXAUSA-N 1 1 337.464 0.816 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)CC2(C)C)C1 ZINC001068102742 792676957 /nfs/dbraw/zinc/67/69/57/792676957.db2.gz WUWRFEPYQJVOCG-UONOGXRCSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)CC2(C)C)C1 ZINC001068102742 792676959 /nfs/dbraw/zinc/67/69/59/792676959.db2.gz WUWRFEPYQJVOCG-UONOGXRCSA-N 1 1 344.419 0.010 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cn(C)cn1 ZINC001067192349 792802639 /nfs/dbraw/zinc/80/26/39/792802639.db2.gz XNFWXNWRBONRTP-INIZCTEOSA-N 1 1 345.447 0.438 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cn(C)cn1 ZINC001067192349 792802648 /nfs/dbraw/zinc/80/26/48/792802648.db2.gz XNFWXNWRBONRTP-INIZCTEOSA-N 1 1 345.447 0.438 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](CNc2ccnc(C#N)n2)C[C@@H]1C ZINC001068335712 793071061 /nfs/dbraw/zinc/07/10/61/793071061.db2.gz ORYGAGPSWSQGHC-JSGCOSHPSA-N 1 1 339.403 0.624 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC001068357315 793119450 /nfs/dbraw/zinc/11/94/50/793119450.db2.gz XAGMOFAIKBGJRF-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1C ZINC001067421584 793130473 /nfs/dbraw/zinc/13/04/73/793130473.db2.gz XPNIGWSPPNEBLA-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001067427524 793142024 /nfs/dbraw/zinc/14/20/24/793142024.db2.gz JRXCCYUYXDBNEI-MRXNPFEDSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CCCCCC(=O)N1CCOC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068383463 793165186 /nfs/dbraw/zinc/16/51/86/793165186.db2.gz ROTVUDQECOQBCT-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCCCCC(=O)N1CCOC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001068384330 793166972 /nfs/dbraw/zinc/16/69/72/793166972.db2.gz SNYZBEVZBCHNNF-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001068389122 793182363 /nfs/dbraw/zinc/18/23/63/793182363.db2.gz XFPXKIYKPYJILV-UHFFFAOYSA-N 1 1 347.459 0.714 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001068395354 793203107 /nfs/dbraw/zinc/20/31/07/793203107.db2.gz YNGGSFXAUWANOK-HOTGVXAUSA-N 1 1 347.459 0.283 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)c2nc(C)c[nH]2)C1 ZINC001267487435 837548785 /nfs/dbraw/zinc/54/87/85/837548785.db2.gz DTDQTIHFUBTMEL-CABCVRRESA-N 1 1 345.447 0.783 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)c2nc(C)c[nH]2)C1 ZINC001267487435 837548790 /nfs/dbraw/zinc/54/87/90/837548790.db2.gz DTDQTIHFUBTMEL-CABCVRRESA-N 1 1 345.447 0.783 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cc(C)on2)C1 ZINC001267501436 837576340 /nfs/dbraw/zinc/57/63/40/837576340.db2.gz LEUOFUQMCKSPCZ-KGLIPLIRSA-N 1 1 332.404 0.563 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)C#CC1CC1)CC(=O)NC(=O)NC1CC1 ZINC001267501368 837577041 /nfs/dbraw/zinc/57/70/41/837577041.db2.gz QMSVIYBRKGDIBL-UHFFFAOYSA-N 1 1 348.447 0.605 20 30 ECEDMO NC(=O)NC(=O)C[NH2+][C@H](CNC(=O)C#CC1CC1)c1ccccc1 ZINC001267520650 837671790 /nfs/dbraw/zinc/67/17/90/837671790.db2.gz OWDAQFFCNSRVOQ-CQSZACIVSA-N 1 1 328.372 0.042 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001267530549 837704286 /nfs/dbraw/zinc/70/42/86/837704286.db2.gz BYQWPKQEFDBLSA-JSGCOSHPSA-N 1 1 348.451 0.175 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001267530549 837704294 /nfs/dbraw/zinc/70/42/94/837704294.db2.gz BYQWPKQEFDBLSA-JSGCOSHPSA-N 1 1 348.451 0.175 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001267530549 837704302 /nfs/dbraw/zinc/70/43/02/837704302.db2.gz BYQWPKQEFDBLSA-JSGCOSHPSA-N 1 1 348.451 0.175 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cc(C)nc(C)c2)C1 ZINC001267536047 837714036 /nfs/dbraw/zinc/71/40/36/837714036.db2.gz KYQZMQWZHREWKN-MRXNPFEDSA-N 1 1 342.443 0.890 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001267542376 837729537 /nfs/dbraw/zinc/72/95/37/837729537.db2.gz VKLNGHPHRPVRBR-HNNXBMFYSA-N 1 1 348.447 0.436 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CCNC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001267543499 837731223 /nfs/dbraw/zinc/73/12/23/837731223.db2.gz DIPGLQQFXQFUGY-CRAIPNDOSA-N 1 1 337.464 0.934 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CCNC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001267554837 837760681 /nfs/dbraw/zinc/76/06/81/837760681.db2.gz XCKGADDDKOEMHR-ZBFHGGJFSA-N 1 1 345.447 0.567 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267557598 837765345 /nfs/dbraw/zinc/76/53/45/837765345.db2.gz IXEZDMZWZLMLMZ-HZPDHXFCSA-N 1 1 349.479 0.329 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NCC[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267557598 837765347 /nfs/dbraw/zinc/76/53/47/837765347.db2.gz IXEZDMZWZLMLMZ-HZPDHXFCSA-N 1 1 349.479 0.329 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@@H]2CC[N@@H+](CCn3cncn3)C2)nn1 ZINC001267567473 837787620 /nfs/dbraw/zinc/78/76/20/837787620.db2.gz NGAWTDZNWAPTAP-CQSZACIVSA-N 1 1 344.423 0.198 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001267567783 837788867 /nfs/dbraw/zinc/78/88/67/837788867.db2.gz OWVDIUPBQCVBKK-HZPDHXFCSA-N 1 1 345.447 0.412 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H]2CC[N@H+](CC(=O)NCC=C)C2)cn1 ZINC001267568590 837791669 /nfs/dbraw/zinc/79/16/69/837791669.db2.gz YHZDZODHGKSJHN-HNNXBMFYSA-N 1 1 340.427 0.807 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ocnc2CC)C1 ZINC001267569883 837797202 /nfs/dbraw/zinc/79/72/02/837797202.db2.gz DTROALGEWHHEGI-KGLIPLIRSA-N 1 1 346.431 0.817 20 30 ECEDMO C=CCNC(=O)[C@@H](C)N1CC[NH+](CCCNC(=O)c2ccoc2)CC1 ZINC001266256642 835562468 /nfs/dbraw/zinc/56/24/68/835562468.db2.gz DDLBQNGLJZYTED-OAHLLOKOSA-N 1 1 348.447 0.708 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCCC[NH+]2CCN(Cc3cnon3)CC2)c1 ZINC001266260823 835571157 /nfs/dbraw/zinc/57/11/57/835571157.db2.gz XFLOYPYNOWNAEI-UHFFFAOYSA-N 1 1 343.391 0.207 20 30 ECEDMO C=CCOCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCC(C)CC1 ZINC001282364520 835573512 /nfs/dbraw/zinc/57/35/12/835573512.db2.gz NTTQKRDNPNWSHU-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCOCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCC(C)CC1 ZINC001282364520 835573515 /nfs/dbraw/zinc/57/35/15/835573515.db2.gz NTTQKRDNPNWSHU-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc[nH]c1C ZINC001266265690 835579651 /nfs/dbraw/zinc/57/96/51/835579651.db2.gz LHAJPFKNEBYAPV-GFCCVEGCSA-N 1 1 335.408 0.385 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc[nH]c1C ZINC001266265690 835579658 /nfs/dbraw/zinc/57/96/58/835579658.db2.gz LHAJPFKNEBYAPV-GFCCVEGCSA-N 1 1 335.408 0.385 20 30 ECEDMO CCOc1ncccc1C(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001266277881 835604554 /nfs/dbraw/zinc/60/45/54/835604554.db2.gz UOIOIMOJRWMXRF-UHFFFAOYSA-N 1 1 331.420 0.741 20 30 ECEDMO C[N@@H+](CCNC(=O)c1cccn2nnnc12)Cc1ccc(C#N)cc1 ZINC001266278839 835604993 /nfs/dbraw/zinc/60/49/93/835604993.db2.gz TXSAKYGVGMHVLL-UHFFFAOYSA-N 1 1 335.371 0.858 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCC ZINC001266278926 835605098 /nfs/dbraw/zinc/60/50/98/835605098.db2.gz WNPKILYREMHGQA-LBPRGKRZSA-N 1 1 326.441 0.871 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NCC ZINC001266278926 835605103 /nfs/dbraw/zinc/60/51/03/835605103.db2.gz WNPKILYREMHGQA-LBPRGKRZSA-N 1 1 326.441 0.871 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CCc1nc(C)cs1 ZINC001266297062 835645520 /nfs/dbraw/zinc/64/55/20/835645520.db2.gz HWJHKAONSVOIQM-CYBMUJFWSA-N 1 1 336.461 0.570 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CCc1nc(C)cs1 ZINC001266297062 835645524 /nfs/dbraw/zinc/64/55/24/835645524.db2.gz HWJHKAONSVOIQM-CYBMUJFWSA-N 1 1 336.461 0.570 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001266310849 835678016 /nfs/dbraw/zinc/67/80/16/835678016.db2.gz MNCUOKVTQRMWIA-CVEARBPZSA-N 1 1 335.448 0.804 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001266310849 835678019 /nfs/dbraw/zinc/67/80/19/835678019.db2.gz MNCUOKVTQRMWIA-CVEARBPZSA-N 1 1 335.448 0.804 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC001266318021 835686692 /nfs/dbraw/zinc/68/66/92/835686692.db2.gz XQRNHJCUVSYEND-CVEARBPZSA-N 1 1 338.448 0.537 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc[nH]2)C1 ZINC001266318078 835687255 /nfs/dbraw/zinc/68/72/55/835687255.db2.gz YKYHKBMXQZLRNU-MOEXGYKKSA-N 1 1 343.431 0.981 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)/C=C/c2ccc[nH]2)C1 ZINC001266318078 835687259 /nfs/dbraw/zinc/68/72/59/835687259.db2.gz YKYHKBMXQZLRNU-MOEXGYKKSA-N 1 1 343.431 0.981 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001266319466 835689178 /nfs/dbraw/zinc/68/91/78/835689178.db2.gz MJMGYCXJCVUDHB-CABCVRRESA-N 1 1 342.443 0.994 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001266319466 835689181 /nfs/dbraw/zinc/68/91/81/835689181.db2.gz MJMGYCXJCVUDHB-CABCVRRESA-N 1 1 342.443 0.994 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C1 ZINC001266321800 835695639 /nfs/dbraw/zinc/69/56/39/835695639.db2.gz WRPPFFKSYFQHHV-CYBMUJFWSA-N 1 1 331.482 0.671 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C1 ZINC001266321800 835695642 /nfs/dbraw/zinc/69/56/42/835695642.db2.gz WRPPFFKSYFQHHV-CYBMUJFWSA-N 1 1 331.482 0.671 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001266333669 835715856 /nfs/dbraw/zinc/71/58/56/835715856.db2.gz RQCOTZKXZWAOGI-LSDHHAIUSA-N 1 1 347.463 0.461 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001266333669 835715861 /nfs/dbraw/zinc/71/58/61/835715861.db2.gz RQCOTZKXZWAOGI-LSDHHAIUSA-N 1 1 347.463 0.461 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001266344813 835733971 /nfs/dbraw/zinc/73/39/71/835733971.db2.gz MFLYFDXPCWWURU-KSSFIOAISA-N 1 1 339.439 0.730 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001266344813 835733981 /nfs/dbraw/zinc/73/39/81/835733981.db2.gz MFLYFDXPCWWURU-KSSFIOAISA-N 1 1 339.439 0.730 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)CCc2cnccn2)C1=O ZINC001266344952 835734385 /nfs/dbraw/zinc/73/43/85/835734385.db2.gz RCYYVUWNOGQDIN-HNNXBMFYSA-N 1 1 331.420 0.244 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)CCc2cnccn2)C1=O ZINC001266344952 835734395 /nfs/dbraw/zinc/73/43/95/835734395.db2.gz RCYYVUWNOGQDIN-HNNXBMFYSA-N 1 1 331.420 0.244 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](C)CC[C@H]2CCS(=O)(=O)C2)cn1 ZINC001266351067 835748590 /nfs/dbraw/zinc/74/85/90/835748590.db2.gz ZXRAFZSTXVCGTQ-AWEZNQCLSA-N 1 1 349.456 0.549 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C2(CCF)CC2)CC1 ZINC001266374397 835787457 /nfs/dbraw/zinc/78/74/57/835787457.db2.gz YAHVAEATAUYETC-CYBMUJFWSA-N 1 1 336.411 0.737 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC001266461789 835863042 /nfs/dbraw/zinc/86/30/42/835863042.db2.gz WRBRGNSMCYGAOA-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCCCC1 ZINC001266461789 835863048 /nfs/dbraw/zinc/86/30/48/835863048.db2.gz WRBRGNSMCYGAOA-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(=O)NC ZINC001266464834 835864989 /nfs/dbraw/zinc/86/49/89/835864989.db2.gz JJWMWRASVLCNEG-CQSZACIVSA-N 1 1 336.436 0.791 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(=O)NC ZINC001266464834 835864995 /nfs/dbraw/zinc/86/49/95/835864995.db2.gz JJWMWRASVLCNEG-CQSZACIVSA-N 1 1 336.436 0.791 20 30 ECEDMO C#CCC[N@H+]1CCC[C@H]1CNC(=O)CC1(CS(C)(=O)=O)CC1 ZINC001266465441 835867219 /nfs/dbraw/zinc/86/72/19/835867219.db2.gz VZHVBDOJRXYCLW-AWEZNQCLSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CC1(CS(C)(=O)=O)CC1 ZINC001266465441 835867220 /nfs/dbraw/zinc/86/72/20/835867220.db2.gz VZHVBDOJRXYCLW-AWEZNQCLSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001266469703 835872957 /nfs/dbraw/zinc/87/29/57/835872957.db2.gz QRCWPDMCKJYIPI-YJBOKZPZSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC001266471139 835873065 /nfs/dbraw/zinc/87/30/65/835873065.db2.gz JAHRTIOBVHGANV-DZGCQCFKSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC001266471139 835873068 /nfs/dbraw/zinc/87/30/68/835873068.db2.gz JAHRTIOBVHGANV-DZGCQCFKSA-N 1 1 344.415 0.422 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](C[N@H+](C)CC(=O)NCC)C2)cn1 ZINC001266472603 835876513 /nfs/dbraw/zinc/87/65/13/835876513.db2.gz NLAQGAFQBDCDKC-OAHLLOKOSA-N 1 1 342.443 0.983 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)Cc2ncc[nH]2)C1=O ZINC001266485473 835884993 /nfs/dbraw/zinc/88/49/93/835884993.db2.gz CLWNEDQKNOEGJM-UONOGXRCSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCNC2=O)CCOCC1 ZINC001266491997 835891914 /nfs/dbraw/zinc/89/19/14/835891914.db2.gz FVPLUKWPPQGYRH-GJZGRUSLSA-N 1 1 335.448 0.828 20 30 ECEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCNC2=O)CCOCC1 ZINC001266491997 835891917 /nfs/dbraw/zinc/89/19/17/835891917.db2.gz FVPLUKWPPQGYRH-GJZGRUSLSA-N 1 1 335.448 0.828 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001266498657 835899175 /nfs/dbraw/zinc/89/91/75/835899175.db2.gz ZBWMXDNIIRZMID-AWEZNQCLSA-N 1 1 332.404 0.577 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2snnc2C)C1 ZINC001266500873 835901972 /nfs/dbraw/zinc/90/19/72/835901972.db2.gz XQQPAWUXVLYDRV-NEPJUHHUSA-N 1 1 337.449 0.589 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CC[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC001266511779 835920037 /nfs/dbraw/zinc/92/00/37/835920037.db2.gz QTKUGRWZMQWPEI-LSDHHAIUSA-N 1 1 328.478 0.909 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001266512046 835920648 /nfs/dbraw/zinc/92/06/48/835920648.db2.gz WRVOVXHBHLGHHZ-GUYCJALGSA-N 1 1 334.420 0.750 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001266512046 835920651 /nfs/dbraw/zinc/92/06/51/835920651.db2.gz WRVOVXHBHLGHHZ-GUYCJALGSA-N 1 1 334.420 0.750 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C2(F)CCOCC2)C1 ZINC001266517540 835928737 /nfs/dbraw/zinc/92/87/37/835928737.db2.gz KTTYAPFFBLNXOR-ZIAGYGMSSA-N 1 1 339.411 0.081 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cncc3[nH]ccc32)C1 ZINC001266520878 835934792 /nfs/dbraw/zinc/93/47/92/835934792.db2.gz VHCXHZKQTNHYAU-ZDUSSCGKSA-N 1 1 341.415 0.917 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2(C(C)(F)F)CC2)C1 ZINC001266533637 835951679 /nfs/dbraw/zinc/95/16/79/835951679.db2.gz NJPSHAYSQQZWFW-GFCCVEGCSA-N 1 1 327.375 0.609 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)Cc3cscn3)C2)C1=O ZINC001266537443 835956215 /nfs/dbraw/zinc/95/62/15/835956215.db2.gz LUTMSWDBFNYLQR-DZGCQCFKSA-N 1 1 348.472 0.911 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001266537656 835956277 /nfs/dbraw/zinc/95/62/77/835956277.db2.gz PVRZKAYOOROPCC-GJZGRUSLSA-N 1 1 345.509 0.965 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001266537886 835957099 /nfs/dbraw/zinc/95/70/99/835957099.db2.gz UIVFMNNWFFXYHA-KGLIPLIRSA-N 1 1 348.447 0.490 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2nc(CC)oc2C)C1 ZINC001266537959 835957742 /nfs/dbraw/zinc/95/77/42/835957742.db2.gz VXEVGVHGBYJVSG-CYBMUJFWSA-N 1 1 334.420 0.899 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH]cnc32)C1 ZINC001266540011 835961339 /nfs/dbraw/zinc/96/13/39/835961339.db2.gz NDUXWKCYOOXMPU-CYBMUJFWSA-N 1 1 341.415 0.917 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)C1CCC(O)CC1 ZINC001266559018 835986365 /nfs/dbraw/zinc/98/63/65/835986365.db2.gz YBXZAXIUVLZWOI-QQFBHYJXSA-N 1 1 337.464 0.504 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@@H+](Cc1ccn(C)c(=O)c1)C1CC1 ZINC001266592498 836023866 /nfs/dbraw/zinc/02/38/66/836023866.db2.gz RIKCCVXCDBCHAQ-AWEZNQCLSA-N 1 1 331.416 0.504 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1n[nH]c2c1CCC2)C1CC1 ZINC001266599975 836033010 /nfs/dbraw/zinc/03/30/10/836033010.db2.gz DXBJGJOSTXNZBJ-GFCCVEGCSA-N 1 1 343.431 0.231 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1n[nH]c2c1CCC2)C1CC1 ZINC001266599975 836033017 /nfs/dbraw/zinc/03/30/17/836033017.db2.gz DXBJGJOSTXNZBJ-GFCCVEGCSA-N 1 1 343.431 0.231 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](CCN2CCCC2=O)C2CC2)c1 ZINC001266609529 836042434 /nfs/dbraw/zinc/04/24/34/836042434.db2.gz PQDURWVVIIUUPL-UHFFFAOYSA-N 1 1 340.427 0.880 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@@]1(CO)CCC[N@H+](CCOCC(F)(F)F)C1 ZINC001279471062 836073846 /nfs/dbraw/zinc/07/38/46/836073846.db2.gz KBFHXIQQEDULRA-YPMHNXCESA-N 1 1 337.342 0.668 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@@]1(CO)CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC001279471062 836073856 /nfs/dbraw/zinc/07/38/56/836073856.db2.gz KBFHXIQQEDULRA-YPMHNXCESA-N 1 1 337.342 0.668 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c(=O)cn2)C1 ZINC001266659144 836096395 /nfs/dbraw/zinc/09/63/95/836096395.db2.gz NCCUYWCIMPYDGW-GOEBONIOSA-N 1 1 344.415 0.346 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2=CCOCC2)C1 ZINC001266660333 836098609 /nfs/dbraw/zinc/09/86/09/836098609.db2.gz WJDAZBTUMHJLNI-IRXDYDNUSA-N 1 1 347.459 0.948 20 30 ECEDMO Cc1nc[nH]c1C(=O)N1CCC[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266661993 836099187 /nfs/dbraw/zinc/09/91/87/836099187.db2.gz BSOCOQCLSSUCGD-KGLIPLIRSA-N 1 1 344.419 0.284 20 30 ECEDMO Cc1nc[nH]c1C(=O)N1CCC[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266661993 836099191 /nfs/dbraw/zinc/09/91/91/836099191.db2.gz BSOCOQCLSSUCGD-KGLIPLIRSA-N 1 1 344.419 0.284 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COCc2nncn2C)C1 ZINC001266664242 836101630 /nfs/dbraw/zinc/10/16/30/836101630.db2.gz YICVZTIVDHEKFS-LSDHHAIUSA-N 1 1 333.436 0.831 20 30 ECEDMO C#CCCCCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001279478969 836140682 /nfs/dbraw/zinc/14/06/82/836140682.db2.gz DQNTVWPONISFOM-QAPCUYQASA-N 1 1 335.448 0.402 20 30 ECEDMO C#CCCCCC(=O)N[C@@]1(CO)CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001279478969 836140687 /nfs/dbraw/zinc/14/06/87/836140687.db2.gz DQNTVWPONISFOM-QAPCUYQASA-N 1 1 335.448 0.402 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3cnc(C#N)cn3)CCO2)C1 ZINC001104349946 836191045 /nfs/dbraw/zinc/19/10/45/836191045.db2.gz NHZDKVLIMCKCLB-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC001266749573 836238902 /nfs/dbraw/zinc/23/89/02/836238902.db2.gz JNLFVXMGBBQWEZ-JKSUJKDBSA-N 1 1 332.448 0.829 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001266751058 836243530 /nfs/dbraw/zinc/24/35/30/836243530.db2.gz BBRGSVXFEDADSQ-IAGOWNOFSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001266751058 836243540 /nfs/dbraw/zinc/24/35/40/836243540.db2.gz BBRGSVXFEDADSQ-IAGOWNOFSA-N 1 1 348.491 0.438 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001266754921 836250458 /nfs/dbraw/zinc/25/04/58/836250458.db2.gz IPDRWJPGZDCGLF-LBPRGKRZSA-N 1 1 333.379 0.399 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001266756020 836251946 /nfs/dbraw/zinc/25/19/46/836251946.db2.gz YEHYJFOELHZTRW-AWEZNQCLSA-N 1 1 346.431 0.980 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2csc(=O)[nH]2)C1 ZINC001279510127 836292717 /nfs/dbraw/zinc/29/27/17/836292717.db2.gz VTRAVLCTGNQMPR-OAHLLOKOSA-N 1 1 339.417 0.055 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2csc(=O)[nH]2)C1 ZINC001279510127 836292728 /nfs/dbraw/zinc/29/27/28/836292728.db2.gz VTRAVLCTGNQMPR-OAHLLOKOSA-N 1 1 339.417 0.055 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001266833054 836357199 /nfs/dbraw/zinc/35/71/99/836357199.db2.gz PBXMJPCMQDWWFV-HOTGVXAUSA-N 1 1 335.448 0.666 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001266833054 836357210 /nfs/dbraw/zinc/35/72/10/836357210.db2.gz PBXMJPCMQDWWFV-HOTGVXAUSA-N 1 1 335.448 0.666 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001266841874 836367200 /nfs/dbraw/zinc/36/72/00/836367200.db2.gz DKIGPOKDUWYXJJ-DOTOQJQBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001266841874 836367207 /nfs/dbraw/zinc/36/72/07/836367207.db2.gz DKIGPOKDUWYXJJ-DOTOQJQBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001266855477 836390159 /nfs/dbraw/zinc/39/01/59/836390159.db2.gz CSCVXZJFPMOJOY-CYBMUJFWSA-N 1 1 329.466 0.308 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1C ZINC001266871124 836416758 /nfs/dbraw/zinc/41/67/58/836416758.db2.gz SZFCHXDGASSTOE-CVEARBPZSA-N 1 1 334.464 0.191 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCNS(C)(=O)=O)C1 ZINC001266891903 836439763 /nfs/dbraw/zinc/43/97/63/836439763.db2.gz RZZYNTXSZMTVHY-KGLIPLIRSA-N 1 1 329.466 0.166 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCNS(C)(=O)=O)C1 ZINC001266891902 836440252 /nfs/dbraw/zinc/44/02/52/836440252.db2.gz RZZYNTXSZMTVHY-KBPBESRZSA-N 1 1 329.466 0.166 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001266891685 836441759 /nfs/dbraw/zinc/44/17/59/836441759.db2.gz QNWMXVGCHCWFQV-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO Cc1nscc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266893160 836442558 /nfs/dbraw/zinc/44/25/58/836442558.db2.gz QCGHWVWZRFDFEB-YPMHNXCESA-N 1 1 349.460 0.922 20 30 ECEDMO Cc1nscc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266893160 836442564 /nfs/dbraw/zinc/44/25/64/836442564.db2.gz QCGHWVWZRFDFEB-YPMHNXCESA-N 1 1 349.460 0.922 20 30 ECEDMO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC001266897542 836449011 /nfs/dbraw/zinc/44/90/11/836449011.db2.gz NWNCTLQZXFNAFD-UHFFFAOYSA-N 1 1 327.388 0.282 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001266900845 836453418 /nfs/dbraw/zinc/45/34/18/836453418.db2.gz LDXRWZJYHOKXSC-IHRRBPCASA-N 1 1 347.459 0.513 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C(C)(F)F ZINC001266903378 836459428 /nfs/dbraw/zinc/45/94/28/836459428.db2.gz IGYOCSZDMYAELJ-FHUSYTEZSA-N 1 1 327.375 0.462 20 30 ECEDMO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001266903797 836459601 /nfs/dbraw/zinc/45/96/01/836459601.db2.gz XYQWEDPYGPCGTP-JLOCXQCDSA-N 1 1 332.448 0.893 20 30 ECEDMO CCCCO[C@H](C)C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267099910 836769721 /nfs/dbraw/zinc/76/97/21/836769721.db2.gz FLBXMMXXTZDSKN-CABCVRRESA-N 1 1 338.452 0.754 20 30 ECEDMO CCCCO[C@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267099910 836769727 /nfs/dbraw/zinc/76/97/27/836769727.db2.gz FLBXMMXXTZDSKN-CABCVRRESA-N 1 1 338.452 0.754 20 30 ECEDMO CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001267104171 836779984 /nfs/dbraw/zinc/77/99/84/836779984.db2.gz NLSUVKLDAQCLFW-GJZGRUSLSA-N 1 1 343.431 0.709 20 30 ECEDMO CCCn1nccc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267104124 836780286 /nfs/dbraw/zinc/78/02/86/836780286.db2.gz MVDUJFOYCPVVSS-AWEZNQCLSA-N 1 1 346.435 0.469 20 30 ECEDMO CCCn1nccc1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267104124 836780292 /nfs/dbraw/zinc/78/02/92/836780292.db2.gz MVDUJFOYCPVVSS-AWEZNQCLSA-N 1 1 346.435 0.469 20 30 ECEDMO C[N@@H+](C[C@H](O)Cn1cccn1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001267104565 836781249 /nfs/dbraw/zinc/78/12/49/836781249.db2.gz CKUJVFGAMOEERZ-IRXDYDNUSA-N 1 1 330.432 0.580 20 30 ECEDMO CC[C@]1(C(=O)N2CCC[C@H]([N@@H+](C)CC#CCOC)C2)CCNC1=O ZINC001267105291 836783155 /nfs/dbraw/zinc/78/31/55/836783155.db2.gz YTSQWOFLMSCTER-YJBOKZPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)ncn2C)C1 ZINC001267107412 836788646 /nfs/dbraw/zinc/78/86/46/836788646.db2.gz GIVSZMBVLCNRAO-CABCVRRESA-N 1 1 347.463 0.956 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001267112194 836799059 /nfs/dbraw/zinc/79/90/59/836799059.db2.gz PRGFAUVQDXGFPD-DZGCQCFKSA-N 1 1 333.436 0.566 20 30 ECEDMO CCc1cc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NCC#N)C2)nn1C ZINC001267117244 836814530 /nfs/dbraw/zinc/81/45/30/836814530.db2.gz QVKYMNAHMIDPTN-AWEZNQCLSA-N 1 1 346.435 0.159 20 30 ECEDMO CCc1cc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)nn1C ZINC001267117244 836814537 /nfs/dbraw/zinc/81/45/37/836814537.db2.gz QVKYMNAHMIDPTN-AWEZNQCLSA-N 1 1 346.435 0.159 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001267170727 836903592 /nfs/dbraw/zinc/90/35/92/836903592.db2.gz SFTOKJDVCQTOIH-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO Cc1n[nH]cc1C(=O)NCCC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267171763 836905607 /nfs/dbraw/zinc/90/56/07/836905607.db2.gz NUSCBOAGLFUGAW-ZDUSSCGKSA-N 1 1 332.408 0.332 20 30 ECEDMO C#CCOCCC(=O)NCC[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001267193872 836958512 /nfs/dbraw/zinc/95/85/12/836958512.db2.gz FIBZCPHPVOZEQO-LBPRGKRZSA-N 1 1 349.353 0.238 20 30 ECEDMO C#CCOCCC(=O)NCC[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001267193872 836958522 /nfs/dbraw/zinc/95/85/22/836958522.db2.gz FIBZCPHPVOZEQO-LBPRGKRZSA-N 1 1 349.353 0.238 20 30 ECEDMO CC(C)C#CC(=O)NCC[N@@H+](C)C[C@H](O)COC1CCOCC1 ZINC001267194697 836959170 /nfs/dbraw/zinc/95/91/70/836959170.db2.gz DEJZXASRLARLRO-HNNXBMFYSA-N 1 1 326.437 0.250 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CCc2cnn(C)c2)C1=O ZINC001267233396 837038728 /nfs/dbraw/zinc/03/87/28/837038728.db2.gz SSUKSIUILLHZGK-OAHLLOKOSA-N 1 1 333.436 0.188 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)CCc2cnn(C)c2)C1=O ZINC001267233396 837038743 /nfs/dbraw/zinc/03/87/43/837038743.db2.gz SSUKSIUILLHZGK-OAHLLOKOSA-N 1 1 333.436 0.188 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCCN(C)Cc2n[nH]c(C3CC3)n2)CC1 ZINC001267233492 837039223 /nfs/dbraw/zinc/03/92/23/837039223.db2.gz UZOIUDOUYBXBMT-UHFFFAOYSA-N 1 1 344.463 0.575 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001267241558 837049784 /nfs/dbraw/zinc/04/97/84/837049784.db2.gz BQDZSCMPYRAXKV-KRWDZBQOSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1c[nH]nc1C1CC1 ZINC001267254509 837075382 /nfs/dbraw/zinc/07/53/82/837075382.db2.gz SNTJDNDVBQZKNB-LBPRGKRZSA-N 1 1 331.420 0.477 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1c[nH]nc1C1CC1 ZINC001267254509 837075391 /nfs/dbraw/zinc/07/53/91/837075391.db2.gz SNTJDNDVBQZKNB-LBPRGKRZSA-N 1 1 331.420 0.477 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)C1(F)CCOCC1)C(C)C ZINC001267264928 837100754 /nfs/dbraw/zinc/10/07/54/837100754.db2.gz HWQYVSVKKUXOOK-UHFFFAOYSA-N 1 1 341.427 0.471 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001267271040 837112163 /nfs/dbraw/zinc/11/21/63/837112163.db2.gz ONDJLAKBFGKIKD-CYBMUJFWSA-N 1 1 342.399 0.420 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001267271040 837112167 /nfs/dbraw/zinc/11/21/67/837112167.db2.gz ONDJLAKBFGKIKD-CYBMUJFWSA-N 1 1 342.399 0.420 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001267274807 837117198 /nfs/dbraw/zinc/11/71/98/837117198.db2.gz CLJMXDLCOZZBPT-INMHGKMJSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001267274807 837117203 /nfs/dbraw/zinc/11/72/03/837117203.db2.gz CLJMXDLCOZZBPT-INMHGKMJSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001267276293 837120072 /nfs/dbraw/zinc/12/00/72/837120072.db2.gz PCHIIJZNOSJSRE-KBPBESRZSA-N 1 1 344.415 0.428 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001267276293 837120076 /nfs/dbraw/zinc/12/00/76/837120076.db2.gz PCHIIJZNOSJSRE-KBPBESRZSA-N 1 1 344.415 0.428 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)CC(=O)NCC(F)(F)F ZINC001267280575 837127957 /nfs/dbraw/zinc/12/79/57/837127957.db2.gz UXQJPMWMKAJXOT-LBPRGKRZSA-N 1 1 349.353 0.285 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1ccccc1C ZINC001267283555 837133397 /nfs/dbraw/zinc/13/33/97/837133397.db2.gz YAIALBNUWIHIFQ-KRWDZBQOSA-N 1 1 327.428 0.868 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccccc1C ZINC001267283555 837133407 /nfs/dbraw/zinc/13/34/07/837133407.db2.gz YAIALBNUWIHIFQ-KRWDZBQOSA-N 1 1 327.428 0.868 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001267285335 837136115 /nfs/dbraw/zinc/13/61/15/837136115.db2.gz GICBLCZCHVXDNB-LSDHHAIUSA-N 1 1 348.447 0.793 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001267291276 837142537 /nfs/dbraw/zinc/14/25/37/837142537.db2.gz CIOKHEXYWFVBCE-OAHLLOKOSA-N 1 1 341.477 0.264 20 30 ECEDMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001267293820 837149140 /nfs/dbraw/zinc/14/91/40/837149140.db2.gz ZNHIBNDYHIIHFN-STQMWFEESA-N 1 1 336.436 0.318 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001267296225 837154949 /nfs/dbraw/zinc/15/49/49/837154949.db2.gz JHIFOCIRYXVHNX-IAGOWNOFSA-N 1 1 344.459 0.842 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cc2sc(C)nc2C)C1 ZINC001267298521 837162324 /nfs/dbraw/zinc/16/23/24/837162324.db2.gz PQWOGMRXMDJHRD-CQSZACIVSA-N 1 1 348.472 0.490 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cc2cccc(F)c2F)C1 ZINC001267304220 837172489 /nfs/dbraw/zinc/17/24/89/837172489.db2.gz XJNSZZKZTAMKDF-CYBMUJFWSA-N 1 1 349.381 0.695 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001267304653 837172643 /nfs/dbraw/zinc/17/26/43/837172643.db2.gz BBWZQUJTNVEZEP-ZIAGYGMSSA-N 1 1 331.482 0.671 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CCc2ncccn2)C1 ZINC001267304260 837172744 /nfs/dbraw/zinc/17/27/44/837172744.db2.gz GKMSOEGTGWKTPW-HUUCEWRRSA-N 1 1 345.447 0.538 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cccnc2OCC)C1 ZINC001267306560 837177371 /nfs/dbraw/zinc/17/73/71/837177371.db2.gz VSUJEFCIXWZCQL-AWEZNQCLSA-N 1 1 344.415 0.281 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N(C)CC)C2)cn1 ZINC001267307426 837179211 /nfs/dbraw/zinc/17/92/11/837179211.db2.gz SIWOZLQLGZYALA-AWEZNQCLSA-N 1 1 328.416 0.593 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCNC(=O)Cn2cccn2)C2CC2)C1=O ZINC001267322406 837199010 /nfs/dbraw/zinc/19/90/10/837199010.db2.gz YRMHXFIQZBRIMY-OAHLLOKOSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCNC(=O)Cn2cccn2)C2CC2)C1=O ZINC001267322406 837199014 /nfs/dbraw/zinc/19/90/14/837199014.db2.gz YRMHXFIQZBRIMY-OAHLLOKOSA-N 1 1 331.420 0.251 20 30 ECEDMO O=C(C#CC1CC1)NCC[N@@H+](CC(=O)NCc1cccnc1)C1CC1 ZINC001267325768 837203319 /nfs/dbraw/zinc/20/33/19/837203319.db2.gz LYLGWQVRNXWNOF-UHFFFAOYSA-N 1 1 340.427 0.692 20 30 ECEDMO O=C(C#CC1CC1)NCC[N@H+](CC(=O)NCc1cccnc1)C1CC1 ZINC001267325768 837203330 /nfs/dbraw/zinc/20/33/30/837203330.db2.gz LYLGWQVRNXWNOF-UHFFFAOYSA-N 1 1 340.427 0.692 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](CC(=O)NCCC)C2CC2)c1 ZINC001267332322 837213654 /nfs/dbraw/zinc/21/36/54/837213654.db2.gz KOVLZRKLYUGORW-UHFFFAOYSA-N 1 1 328.416 0.783 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CC(=O)NCCC)C2CC2)c1 ZINC001267332322 837213664 /nfs/dbraw/zinc/21/36/64/837213664.db2.gz KOVLZRKLYUGORW-UHFFFAOYSA-N 1 1 328.416 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CC(=O)NC2CC2)C2CC2)nc1 ZINC001267336153 837220723 /nfs/dbraw/zinc/22/07/23/837220723.db2.gz KBJZLKOWGKOVHT-UHFFFAOYSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC(=O)NC2CC2)C2CC2)nc1 ZINC001267336153 837220726 /nfs/dbraw/zinc/22/07/26/837220726.db2.gz KBJZLKOWGKOVHT-UHFFFAOYSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)C1=CCOCC1)c1ccccc1 ZINC001267358189 837246451 /nfs/dbraw/zinc/24/64/51/837246451.db2.gz XTPFQISWMSFJRL-QGZVFWFLSA-N 1 1 341.411 0.530 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]([NH2+]CC(=O)NC)c2ccccc2)nn1 ZINC001267378196 837295326 /nfs/dbraw/zinc/29/53/26/837295326.db2.gz YNOPEYJDXSRLRE-CQSZACIVSA-N 1 1 342.403 0.271 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001267417834 837382733 /nfs/dbraw/zinc/38/27/33/837382733.db2.gz OGKYBZGZASNQBV-JTOWHCCKSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001267578364 837836528 /nfs/dbraw/zinc/83/65/28/837836528.db2.gz ZJWABEUGYIUTAZ-LLVKDONJSA-N 1 1 346.378 0.434 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001267587019 837865862 /nfs/dbraw/zinc/86/58/62/837865862.db2.gz DZEWJIWDXKBBRU-CHWSQXEVSA-N 1 1 338.452 0.952 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)nn(C)c2C)C1 ZINC001267587932 837868578 /nfs/dbraw/zinc/86/85/78/837868578.db2.gz SJKTWSZHUXZTSU-OAHLLOKOSA-N 1 1 347.463 0.733 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)c2ccco2)C1 ZINC001267587732 837869122 /nfs/dbraw/zinc/86/91/22/837869122.db2.gz BYCJAXIVAXHENN-LSDHHAIUSA-N 1 1 331.416 0.913 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cccc2)C1 ZINC001267592114 837885750 /nfs/dbraw/zinc/88/57/50/837885750.db2.gz NZLFGBMFENXJMV-IAGOWNOFSA-N 1 1 344.459 0.796 20 30 ECEDMO CCc1noc(C)c1C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267597282 837902979 /nfs/dbraw/zinc/90/29/79/837902979.db2.gz VBOAUUDLPAQTRC-CYBMUJFWSA-N 1 1 347.419 0.579 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@H](C)n2cncn2)CC1 ZINC001267598424 837907988 /nfs/dbraw/zinc/90/79/88/837907988.db2.gz DBFMAOOGRFEJQO-HNNXBMFYSA-N 1 1 333.436 0.659 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2cncnc2)CC1 ZINC001267598548 837908044 /nfs/dbraw/zinc/90/80/44/837908044.db2.gz IFEKFYKTSAINQT-UHFFFAOYSA-N 1 1 329.404 0.010 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)COCC(F)F)CC1 ZINC001267599936 837914564 /nfs/dbraw/zinc/91/45/64/837914564.db2.gz IGKSNXQCBGPHGC-UHFFFAOYSA-N 1 1 345.390 0.188 20 30 ECEDMO C#CC[N@H+](C)CC1CCN(C(=O)COCc2nc(CC)no2)CC1 ZINC001267603846 837933208 /nfs/dbraw/zinc/93/32/08/837933208.db2.gz DCBZXXAERAWIAJ-UHFFFAOYSA-N 1 1 334.420 0.952 20 30 ECEDMO CN(CCN1CCN(CC#N)CC1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001267618440 838048729 /nfs/dbraw/zinc/04/87/29/838048729.db2.gz OLCUXWPICSEJHL-UHFFFAOYSA-N 1 1 343.475 0.718 20 30 ECEDMO CN(CCN1CCN(CC#N)CC1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001267618440 838048737 /nfs/dbraw/zinc/04/87/37/838048737.db2.gz OLCUXWPICSEJHL-UHFFFAOYSA-N 1 1 343.475 0.718 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001267619379 838055354 /nfs/dbraw/zinc/05/53/54/838055354.db2.gz JVPBSVCDHXDZHO-SJLPKXTDSA-N 1 1 335.448 0.475 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001267619379 838055362 /nfs/dbraw/zinc/05/53/62/838055362.db2.gz JVPBSVCDHXDZHO-SJLPKXTDSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCCn2cccn2)C1 ZINC001267622083 838061006 /nfs/dbraw/zinc/06/10/06/838061006.db2.gz LRKXASZKTRCPEE-HZPDHXFCSA-N 1 1 345.447 0.382 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCn2cccn2)C1 ZINC001267622083 838061019 /nfs/dbraw/zinc/06/10/19/838061019.db2.gz LRKXASZKTRCPEE-HZPDHXFCSA-N 1 1 345.447 0.382 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625308 838075404 /nfs/dbraw/zinc/07/54/04/838075404.db2.gz HTEVVTRLYQMIHY-NEPJUHHUSA-N 1 1 337.453 0.308 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625308 838075411 /nfs/dbraw/zinc/07/54/11/838075411.db2.gz HTEVVTRLYQMIHY-NEPJUHHUSA-N 1 1 337.453 0.308 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001267627603 838082297 /nfs/dbraw/zinc/08/22/97/838082297.db2.gz AVLTVLPHNCOMQK-ZBFHGGJFSA-N 1 1 347.463 0.542 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001267627603 838082316 /nfs/dbraw/zinc/08/23/16/838082316.db2.gz AVLTVLPHNCOMQK-ZBFHGGJFSA-N 1 1 347.463 0.542 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)nn2C)C1 ZINC001267631797 838094675 /nfs/dbraw/zinc/09/46/75/838094675.db2.gz IKAKBSRSMOVSOV-LSDHHAIUSA-N 1 1 345.447 0.260 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)ccn2C)C1 ZINC001267645674 838130383 /nfs/dbraw/zinc/13/03/83/838130383.db2.gz CZIJDEBXPQBGGL-OAHLLOKOSA-N 1 1 330.432 0.477 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001267653795 838158859 /nfs/dbraw/zinc/15/88/59/838158859.db2.gz YWCGXROXCVKYBW-HZPDHXFCSA-N 1 1 335.448 0.285 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC001267670548 838203843 /nfs/dbraw/zinc/20/38/43/838203843.db2.gz OBURDUMPXHQIMY-YOEHRIQHSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC1C[NH+](CCc2nnn(C(C)(C)C)n2)C1 ZINC001267680878 838241164 /nfs/dbraw/zinc/24/11/64/838241164.db2.gz ABBXXPIBHHCWDY-CYBMUJFWSA-N 1 1 348.451 0.057 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NC3CC3)C2)c1 ZINC001267684921 838248615 /nfs/dbraw/zinc/24/86/15/838248615.db2.gz URPVVDGQXWQYJP-HNNXBMFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cc2ccc(CC)cn2)C1 ZINC001267693665 838277992 /nfs/dbraw/zinc/27/79/92/838277992.db2.gz NCNGIYVFNIIIDT-AWEZNQCLSA-N 1 1 344.459 0.925 20 30 ECEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001267724040 838383444 /nfs/dbraw/zinc/38/34/44/838383444.db2.gz RBXZKGZMCCNUIY-ZDUSSCGKSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001267725597 838394317 /nfs/dbraw/zinc/39/43/17/838394317.db2.gz TVZYDZGWHWGYRG-GJZGRUSLSA-N 1 1 348.447 0.851 20 30 ECEDMO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001267744599 838447426 /nfs/dbraw/zinc/44/74/26/838447426.db2.gz WLQNCVOFYVHZJZ-CYBMUJFWSA-N 1 1 332.379 0.899 20 30 ECEDMO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001267744599 838447430 /nfs/dbraw/zinc/44/74/30/838447430.db2.gz WLQNCVOFYVHZJZ-CYBMUJFWSA-N 1 1 332.379 0.899 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001267746681 838453000 /nfs/dbraw/zinc/45/30/00/838453000.db2.gz QCCIQNMRDQZVJS-ZIAGYGMSSA-N 1 1 348.451 0.730 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001267746681 838453007 /nfs/dbraw/zinc/45/30/07/838453007.db2.gz QCCIQNMRDQZVJS-ZIAGYGMSSA-N 1 1 348.451 0.730 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267767172 838503376 /nfs/dbraw/zinc/50/33/76/838503376.db2.gz HLUHBHLEVOWADE-JKSUJKDBSA-N 1 1 349.479 0.279 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cncc(CC)c2)C1 ZINC001267766337 838504196 /nfs/dbraw/zinc/50/41/96/838504196.db2.gz ADQMQNHURJSKDL-PBHICJAKSA-N 1 1 342.443 0.928 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cncc(CC)c2)C1 ZINC001267766337 838504197 /nfs/dbraw/zinc/50/41/97/838504197.db2.gz ADQMQNHURJSKDL-PBHICJAKSA-N 1 1 342.443 0.928 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267773273 838531729 /nfs/dbraw/zinc/53/17/29/838531729.db2.gz KUTMVHAGQQWMGC-AWEZNQCLSA-N 1 1 331.482 0.767 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267773274 838532014 /nfs/dbraw/zinc/53/20/14/838532014.db2.gz KUTMVHAGQQWMGC-CQSZACIVSA-N 1 1 331.482 0.767 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(CC)nn2C)C1 ZINC001267775693 838538286 /nfs/dbraw/zinc/53/82/86/838538286.db2.gz VTGJPSMMCBTFDE-HIFRSBDPSA-N 1 1 345.447 0.267 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(CC)nn2C)C1 ZINC001267775693 838538291 /nfs/dbraw/zinc/53/82/91/838538291.db2.gz VTGJPSMMCBTFDE-HIFRSBDPSA-N 1 1 345.447 0.267 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cccnc2)C1 ZINC001267780708 838552111 /nfs/dbraw/zinc/55/21/11/838552111.db2.gz TZHYMDQRNPJVNT-HOCLYGCPSA-N 1 1 328.416 0.756 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cccnc2)C1 ZINC001267780708 838552114 /nfs/dbraw/zinc/55/21/14/838552114.db2.gz TZHYMDQRNPJVNT-HOCLYGCPSA-N 1 1 328.416 0.756 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267787281 838563508 /nfs/dbraw/zinc/56/35/08/838563508.db2.gz ZJBFPCIFQPMRCQ-KGLIPLIRSA-N 1 1 333.432 0.764 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267787281 838563513 /nfs/dbraw/zinc/56/35/13/838563513.db2.gz ZJBFPCIFQPMRCQ-KGLIPLIRSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)N(C)C(C)C)C1 ZINC001267787203 838563854 /nfs/dbraw/zinc/56/38/54/838563854.db2.gz XNVKCSVQPRBYCV-JKSUJKDBSA-N 1 1 337.464 0.814 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)N(C)C(C)C)C1 ZINC001267787203 838563863 /nfs/dbraw/zinc/56/38/63/838563863.db2.gz XNVKCSVQPRBYCV-JKSUJKDBSA-N 1 1 337.464 0.814 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001267786829 838566421 /nfs/dbraw/zinc/56/64/21/838566421.db2.gz QHRYHLAFVRIQGW-ZBFHGGJFSA-N 1 1 335.448 0.474 20 30 ECEDMO CC[C@H](CNC(=O)CSCC#N)[NH2+]Cc1nnnn1C(C)(C)C ZINC001267795603 838575323 /nfs/dbraw/zinc/57/53/23/838575323.db2.gz FDYFTWOCDJUMIK-LLVKDONJSA-N 1 1 339.469 0.669 20 30 ECEDMO Cc1nn[nH]c1C(=O)N(CCO)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001279782051 838603596 /nfs/dbraw/zinc/60/35/96/838603596.db2.gz DHDYUOYBVALEAP-UHFFFAOYSA-N 1 1 328.376 0.209 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC2(CC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001267973611 838906467 /nfs/dbraw/zinc/90/64/67/838906467.db2.gz VLBUDSVBOFOKRU-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001268023156 839003478 /nfs/dbraw/zinc/00/34/78/839003478.db2.gz FOALPVUJLXFBTN-CABCVRRESA-N 1 1 347.419 0.149 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001268028302 839040426 /nfs/dbraw/zinc/04/04/26/839040426.db2.gz CDOKPAWKWRYKDK-HOTGVXAUSA-N 1 1 347.463 0.932 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[C@@](C)(O)C3CC3)CC2)C1=O ZINC000980996846 839299353 /nfs/dbraw/zinc/29/93/53/839299353.db2.gz NIGMVOXVZDSGEC-QFBILLFUSA-N 1 1 349.475 0.859 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[C@@](C)(O)C3CC3)CC2)C1=O ZINC000980996846 839299358 /nfs/dbraw/zinc/29/93/58/839299358.db2.gz NIGMVOXVZDSGEC-QFBILLFUSA-N 1 1 349.475 0.859 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[N@H+](CCN3CCCC3=O)CC2)c[nH]1 ZINC000981006034 839314736 /nfs/dbraw/zinc/31/47/36/839314736.db2.gz CWNYXNIEGVWBOY-UHFFFAOYSA-N 1 1 329.404 0.657 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[N@@H+](CCN3CCCC3=O)CC2)c[nH]1 ZINC000981006034 839314748 /nfs/dbraw/zinc/31/47/48/839314748.db2.gz CWNYXNIEGVWBOY-UHFFFAOYSA-N 1 1 329.404 0.657 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)C1=O ZINC000981011027 839333372 /nfs/dbraw/zinc/33/33/72/839333372.db2.gz YNNMZSGBMOXWMJ-HUUCEWRRSA-N 1 1 346.435 0.160 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)C1=O ZINC000981011027 839333383 /nfs/dbraw/zinc/33/33/83/839333383.db2.gz YNNMZSGBMOXWMJ-HUUCEWRRSA-N 1 1 346.435 0.160 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428549078 210266883 /nfs/dbraw/zinc/26/68/83/210266883.db2.gz RUXQHSRIFCIXCW-CYBMUJFWSA-N 1 1 333.388 0.471 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428549078 210266885 /nfs/dbraw/zinc/26/68/85/210266885.db2.gz RUXQHSRIFCIXCW-CYBMUJFWSA-N 1 1 333.388 0.471 20 30 ECEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C#N)n2)[C@H](C)C1 ZINC000426747985 210161899 /nfs/dbraw/zinc/16/18/99/210161899.db2.gz TYCKJOKNWFPVRT-ZIAGYGMSSA-N 1 1 334.424 0.403 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425887297 210116143 /nfs/dbraw/zinc/11/61/43/210116143.db2.gz RCZPQVGBENTFNC-AWEZNQCLSA-N 1 1 346.431 0.772 20 30 ECEDMO C#Cc1ccc(CNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000297510301 202122919 /nfs/dbraw/zinc/12/29/19/202122919.db2.gz GUXDEUPSAVDONN-UHFFFAOYSA-N 1 1 342.443 0.973 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000297888721 202180801 /nfs/dbraw/zinc/18/08/01/202180801.db2.gz PCKNQWHTIQCXQA-UHFFFAOYSA-N 1 1 338.452 0.034 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC000189768295 201049636 /nfs/dbraw/zinc/04/96/36/201049636.db2.gz LMIBPDWHSFJYMJ-UHFFFAOYSA-N 1 1 342.443 0.702 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)c1 ZINC001041661697 781944371 /nfs/dbraw/zinc/94/43/71/781944371.db2.gz XKWNLCCHWJSDCR-VQIMIIECSA-N 1 1 338.411 0.489 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000271163320 201242431 /nfs/dbraw/zinc/24/24/31/201242431.db2.gz JIJYQMOTQMDDEL-UHFFFAOYSA-N 1 1 341.337 0.757 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000271163320 201242434 /nfs/dbraw/zinc/24/24/34/201242434.db2.gz JIJYQMOTQMDDEL-UHFFFAOYSA-N 1 1 341.337 0.757 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000272877190 201257571 /nfs/dbraw/zinc/25/75/71/201257571.db2.gz ULZKFJNFANLECJ-UHFFFAOYSA-N 1 1 340.445 0.844 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000272855071 201259032 /nfs/dbraw/zinc/25/90/32/201259032.db2.gz LVOROHHJJHGQEW-NSHDSACASA-N 1 1 332.447 0.585 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000275799868 201286528 /nfs/dbraw/zinc/28/65/28/201286528.db2.gz WTKLUMNXSNCCLZ-UHFFFAOYSA-N 1 1 345.399 0.476 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000275799868 201286531 /nfs/dbraw/zinc/28/65/31/201286531.db2.gz WTKLUMNXSNCCLZ-UHFFFAOYSA-N 1 1 345.399 0.476 20 30 ECEDMO N#Cc1ccccc1N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000101554280 204009857 /nfs/dbraw/zinc/00/98/57/204009857.db2.gz PKWFBDWIMYNDAP-UHFFFAOYSA-N 1 1 327.388 0.622 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000152366587 204274826 /nfs/dbraw/zinc/27/48/26/204274826.db2.gz CDVFGFRYDWFZRP-QGZVFWFLSA-N 1 1 325.412 0.803 20 30 ECEDMO N#Cc1cccnc1N1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000127270414 205091631 /nfs/dbraw/zinc/09/16/31/205091631.db2.gz CNTAWSYPHLKNQQ-MRXNPFEDSA-N 1 1 346.431 0.632 20 30 ECEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C[C@H](O)CN1CCOCC1 ZINC000156671037 206092041 /nfs/dbraw/zinc/09/20/41/206092041.db2.gz DFTSDBHKGRSZJU-KRWDZBQOSA-N 1 1 333.432 0.952 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000266523928 248344494 /nfs/dbraw/zinc/34/44/94/248344494.db2.gz AECNUJXJRUIKKU-GOSISDBHSA-N 1 1 342.443 0.971 20 30 ECEDMO Cc1[nH]c(C#N)cc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000448865733 211262492 /nfs/dbraw/zinc/26/24/92/211262492.db2.gz GSKPBIZTFAWHKA-HNNXBMFYSA-N 1 1 331.420 0.867 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451665731 285002052 /nfs/dbraw/zinc/00/20/52/285002052.db2.gz FRYCLLTZGGPYRA-KBPBESRZSA-N 1 1 332.470 0.149 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000337204948 285051322 /nfs/dbraw/zinc/05/13/22/285051322.db2.gz JLYYBHFNXQFQCR-CQSZACIVSA-N 1 1 345.513 0.328 20 30 ECEDMO C[NH+](C)CCN(C(=O)C#Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000136466092 254499321 /nfs/dbraw/zinc/49/93/21/254499321.db2.gz DVDDHKFTROSQLD-MRXNPFEDSA-N 1 1 334.441 0.615 20 30 ECEDMO Cn1nccc1[C@H]1[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)CC(=O)N1C ZINC000285144394 254561640 /nfs/dbraw/zinc/56/16/40/254561640.db2.gz OXKGBURGBLJHLR-CSMYWGQOSA-N 1 1 344.419 0.090 20 30 ECEDMO O=C(CN1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000329216877 254601560 /nfs/dbraw/zinc/60/15/60/254601560.db2.gz PFALLUOGWIAHRL-OAHLLOKOSA-N 1 1 343.493 0.938 20 30 ECEDMO COc1cc[nH+]c(N2CCN(CC(=O)NC3(C#N)CCC3)CC2)c1 ZINC000346847808 254699096 /nfs/dbraw/zinc/69/90/96/254699096.db2.gz NQLQNAOZFWVJNT-UHFFFAOYSA-N 1 1 329.404 0.775 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000356509163 254722315 /nfs/dbraw/zinc/72/23/15/254722315.db2.gz TVLVZDUCUYYQQQ-HNNXBMFYSA-N 1 1 325.453 0.932 20 30 ECEDMO C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)[C@@H](C)C[N@H+]1CCO ZINC000419334984 209062826 /nfs/dbraw/zinc/06/28/26/209062826.db2.gz VVXRLEUKEJUDRW-VYDXJSESSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H](C)CN1CCO ZINC000419334984 209062830 /nfs/dbraw/zinc/06/28/30/209062830.db2.gz VVXRLEUKEJUDRW-VYDXJSESSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H](C)CN1CCO ZINC000419334984 209062832 /nfs/dbraw/zinc/06/28/32/209062832.db2.gz VVXRLEUKEJUDRW-VYDXJSESSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C(=O)NCCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000330936443 287180922 /nfs/dbraw/zinc/18/09/22/287180922.db2.gz RZVBGUNQCTXKOA-NEPJUHHUSA-N 1 1 325.413 0.358 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC001041704102 782022385 /nfs/dbraw/zinc/02/23/85/782022385.db2.gz OBHUTTTWJUMSJH-PBHICJAKSA-N 1 1 330.436 0.736 20 30 ECEDMO C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001077963022 782024094 /nfs/dbraw/zinc/02/40/94/782024094.db2.gz DYSJQGVNORJONV-HOTGVXAUSA-N 1 1 337.464 0.910 20 30 ECEDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000279777323 263898671 /nfs/dbraw/zinc/89/86/71/263898671.db2.gz UAXLWVNZOWXDPU-RDJZCZTQSA-N 1 1 333.432 0.950 20 30 ECEDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283830256 264155829 /nfs/dbraw/zinc/15/58/29/264155829.db2.gz DVEARDZOVRBNKL-XJKSGUPXSA-N 1 1 328.416 0.973 20 30 ECEDMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)[C@@H]2C1 ZINC000285072184 264275553 /nfs/dbraw/zinc/27/55/53/264275553.db2.gz ORUYGPKLOKPPRV-HUUCEWRRSA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)[C@@H]2C1 ZINC000285072184 264275557 /nfs/dbraw/zinc/27/55/57/264275557.db2.gz ORUYGPKLOKPPRV-HUUCEWRRSA-N 1 1 339.392 0.791 20 30 ECEDMO Cc1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1C#N ZINC000285101183 264278704 /nfs/dbraw/zinc/27/87/04/264278704.db2.gz QBFGGAOUSIESNM-HZPDHXFCSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)ccc1C#N ZINC000285101183 264278706 /nfs/dbraw/zinc/27/87/06/264278706.db2.gz QBFGGAOUSIESNM-HZPDHXFCSA-N 1 1 335.429 0.960 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000376516797 270007683 /nfs/dbraw/zinc/00/76/83/270007683.db2.gz FNKGGLGEVCGYCI-ZFWWWQNUSA-N 1 1 343.435 0.808 20 30 ECEDMO CCN1CCO[C@H](C[NH+]2CCN(Cc3cc(C#N)n(C)c3)CC2)C1 ZINC000373811926 266154028 /nfs/dbraw/zinc/15/40/28/266154028.db2.gz JPZTWORZUNMPRR-SFHVURJKSA-N 1 1 331.464 0.735 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)CSCC#N ZINC001077969150 782038694 /nfs/dbraw/zinc/03/86/94/782038694.db2.gz AKEULNWNDWRNNB-IHRRRGAJSA-N 1 1 340.493 0.984 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000284061569 267046093 /nfs/dbraw/zinc/04/60/93/267046093.db2.gz QSTQVXXIENTNOD-WBMJQRKESA-N 1 1 326.400 0.773 20 30 ECEDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)Cn3cnc(C#N)n3)CC2)C[C@H](C)O1 ZINC000332299224 267047191 /nfs/dbraw/zinc/04/71/91/267047191.db2.gz PNFWBTFDUHLFQU-OKILXGFUSA-N 1 1 346.435 0.498 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366306830 267141172 /nfs/dbraw/zinc/14/11/72/267141172.db2.gz GGSSFPWOUCJVDA-KGYLQXTDSA-N 1 1 326.356 0.480 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366306830 267141175 /nfs/dbraw/zinc/14/11/75/267141175.db2.gz GGSSFPWOUCJVDA-KGYLQXTDSA-N 1 1 326.356 0.480 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000368908720 268030162 /nfs/dbraw/zinc/03/01/62/268030162.db2.gz DBCUXHDOBVEHRI-CVEARBPZSA-N 1 1 342.399 0.267 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000368908722 268030853 /nfs/dbraw/zinc/03/08/53/268030853.db2.gz DBCUXHDOBVEHRI-HZPDHXFCSA-N 1 1 342.399 0.267 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)NCC[N@@H+]2CCCOCC2)c(F)c1 ZINC000359989899 268080344 /nfs/dbraw/zinc/08/03/44/268080344.db2.gz ZTUHRSHCLHDRHE-UHFFFAOYSA-N 1 1 341.408 0.839 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)NCC[N@H+]2CCCOCC2)c(F)c1 ZINC000359989899 268080347 /nfs/dbraw/zinc/08/03/47/268080347.db2.gz ZTUHRSHCLHDRHE-UHFFFAOYSA-N 1 1 341.408 0.839 20 30 ECEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366427053 268100030 /nfs/dbraw/zinc/10/00/30/268100030.db2.gz HNCXXVVNPRTLRQ-VXGBXAGGSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366427053 268100031 /nfs/dbraw/zinc/10/00/31/268100031.db2.gz HNCXXVVNPRTLRQ-VXGBXAGGSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000369464871 268131040 /nfs/dbraw/zinc/13/10/40/268131040.db2.gz LZRRQXHYKBPRLD-HOTGVXAUSA-N 1 1 342.399 0.554 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1 ZINC000364078238 268178240 /nfs/dbraw/zinc/17/82/40/268178240.db2.gz XIGOBAQQOAUETB-RHSMWYFYSA-N 1 1 331.372 0.872 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000357918619 268277818 /nfs/dbraw/zinc/27/78/18/268277818.db2.gz UMVSGKYQLVNNCU-CYBMUJFWSA-N 1 1 336.417 0.640 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000528546453 268297815 /nfs/dbraw/zinc/29/78/15/268297815.db2.gz CVECVIFMFNNDER-HOCLYGCPSA-N 1 1 327.388 0.912 20 30 ECEDMO CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000376313872 269605550 /nfs/dbraw/zinc/60/55/50/269605550.db2.gz KQAJZGJMSRLECP-UHFFFAOYSA-N 1 1 327.406 0.619 20 30 ECEDMO CC(C)(O)C[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000376313872 269605554 /nfs/dbraw/zinc/60/55/54/269605554.db2.gz KQAJZGJMSRLECP-UHFFFAOYSA-N 1 1 327.406 0.619 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001041716924 782045122 /nfs/dbraw/zinc/04/51/22/782045122.db2.gz HEDLJAWTWOFOGA-XHDPSFHLSA-N 1 1 340.811 0.261 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001041716924 782045131 /nfs/dbraw/zinc/04/51/31/782045131.db2.gz HEDLJAWTWOFOGA-XHDPSFHLSA-N 1 1 340.811 0.261 20 30 ECEDMO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H](C)C[N@H+]1CCO ZINC000416305804 274324699 /nfs/dbraw/zinc/32/46/99/274324699.db2.gz JGDDMHFIIOCKGO-KGLIPLIRSA-N 1 1 344.415 0.202 20 30 ECEDMO C#C[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000491438218 275386398 /nfs/dbraw/zinc/38/63/98/275386398.db2.gz AQQDSAXCIKJHDF-ARFHVFGLSA-N 1 1 333.432 0.180 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000331697119 275691549 /nfs/dbraw/zinc/69/15/49/275691549.db2.gz UYIOPWOLGDSOHA-BLLLJJGKSA-N 1 1 349.435 0.446 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2[C@H](C)CCC[C@H]2CO)CC1 ZINC000305883142 276011430 /nfs/dbraw/zinc/01/14/30/276011430.db2.gz WJCZAMINWWLBBI-IKGGRYGDSA-N 1 1 336.480 0.914 20 30 ECEDMO Cc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)nn1CCC#N ZINC000330703474 437595805 /nfs/dbraw/zinc/59/58/05/437595805.db2.gz PZPINMMOMNSOQT-UHFFFAOYSA-N 1 1 334.424 1.026 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCOC[C@@H]1c1ncnn1C ZINC000328879120 288114386 /nfs/dbraw/zinc/11/43/86/288114386.db2.gz LGVQWLCHGMLZGR-KWCYVHTRSA-N 1 1 334.424 0.585 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000330740169 437602803 /nfs/dbraw/zinc/60/28/03/437602803.db2.gz OVKQXMJEEJSPMK-GFCCVEGCSA-N 1 1 330.454 0.103 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000330740170 437603253 /nfs/dbraw/zinc/60/32/53/437603253.db2.gz OVKQXMJEEJSPMK-LBPRGKRZSA-N 1 1 330.454 0.103 20 30 ECEDMO C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@H+]1CC(C)(C)O ZINC000189887571 437611830 /nfs/dbraw/zinc/61/18/30/437611830.db2.gz KHVKUWLPGLXWQO-OAHLLOKOSA-N 1 1 335.452 0.419 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCC2(O)CCOCC2)C[C@@H]1C ZINC000329475664 290086304 /nfs/dbraw/zinc/08/63/04/290086304.db2.gz BHAXWBZKOVKETA-KBPBESRZSA-N 1 1 329.441 0.219 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)S(C)(=O)=O)C2)C1 ZINC001041723118 782058160 /nfs/dbraw/zinc/05/81/60/782058160.db2.gz ZTTHMVDPKFDAFI-MRXNPFEDSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)S(C)(=O)=O)C2)C1 ZINC001041723118 782058169 /nfs/dbraw/zinc/05/81/69/782058169.db2.gz ZTTHMVDPKFDAFI-MRXNPFEDSA-N 1 1 326.462 0.757 20 30 ECEDMO C[C@@H]1COCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000331273041 297119855 /nfs/dbraw/zinc/11/98/55/297119855.db2.gz HFSQPBKYCUSEJQ-KGLIPLIRSA-N 1 1 326.441 0.564 20 30 ECEDMO C=CCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000076220713 436194611 /nfs/dbraw/zinc/19/46/11/436194611.db2.gz URTHZNHRFBHSRZ-UHFFFAOYSA-N 1 1 346.431 0.554 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000076992067 436222590 /nfs/dbraw/zinc/22/25/90/436222590.db2.gz PEPCAUXJANIERU-HOTGVXAUSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000079490170 436298764 /nfs/dbraw/zinc/29/87/64/436298764.db2.gz QODXDSRGKHSYOR-KBPBESRZSA-N 1 1 338.452 0.572 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083251600 436372033 /nfs/dbraw/zinc/37/20/33/436372033.db2.gz ABSITWOBISKECQ-HOTGVXAUSA-N 1 1 327.469 0.424 20 30 ECEDMO CC[N@H+]1CCCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000091554226 436453024 /nfs/dbraw/zinc/45/30/24/436453024.db2.gz YQQKCIFTZNJVBI-KRWDZBQOSA-N 1 1 335.496 0.706 20 30 ECEDMO COCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000051920408 436500067 /nfs/dbraw/zinc/50/00/67/436500067.db2.gz ZWDUOJQQJRRTKD-OAHLLOKOSA-N 1 1 335.404 0.335 20 30 ECEDMO COCC[N@H+](CC(=O)N(C)C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000051920408 436500069 /nfs/dbraw/zinc/50/00/69/436500069.db2.gz ZWDUOJQQJRRTKD-OAHLLOKOSA-N 1 1 335.404 0.335 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000052134042 436503002 /nfs/dbraw/zinc/50/30/02/436503002.db2.gz DFHALBLEIOEKAN-HNNXBMFYSA-N 1 1 343.493 0.981 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000052134042 436503005 /nfs/dbraw/zinc/50/30/05/436503005.db2.gz DFHALBLEIOEKAN-HNNXBMFYSA-N 1 1 343.493 0.981 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000102355752 436552145 /nfs/dbraw/zinc/55/21/45/436552145.db2.gz BHJRRGJDXNRLBZ-UHFFFAOYSA-N 1 1 333.392 0.966 20 30 ECEDMO Cc1cccc(C[NH+]2CCN(C(=O)CN3CCO[C@@H](C#N)C3)CC2)c1 ZINC000106309800 436591494 /nfs/dbraw/zinc/59/14/94/436591494.db2.gz BLRDIYYMUXHCPC-SFHVURJKSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000057714928 436614397 /nfs/dbraw/zinc/61/43/97/436614397.db2.gz RLXJGGPHGMZMRS-CYBMUJFWSA-N 1 1 349.456 0.811 20 30 ECEDMO C[C@@H](CN1CCOCC1)[N@H+](CC(=O)NCC#N)Cc1ccccc1 ZINC000066500738 436688354 /nfs/dbraw/zinc/68/83/54/436688354.db2.gz NNPWKPNZGHYRCB-INIZCTEOSA-N 1 1 330.432 0.849 20 30 ECEDMO C[C@@H](CN1CCOCC1)[N@@H+](CC(=O)NCC#N)Cc1ccccc1 ZINC000066500738 436688357 /nfs/dbraw/zinc/68/83/57/436688357.db2.gz NNPWKPNZGHYRCB-INIZCTEOSA-N 1 1 330.432 0.849 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(c2ccnn2CCO)CC1)C1CC1 ZINC000195508768 436692282 /nfs/dbraw/zinc/69/22/82/436692282.db2.gz OGZRYPMJMDCQIT-SFHVURJKSA-N 1 1 345.447 0.863 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000065954031 436675744 /nfs/dbraw/zinc/67/57/44/436675744.db2.gz RLRCRZCGIHMGSW-UHFFFAOYSA-N 1 1 347.419 0.939 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000273051683 436733462 /nfs/dbraw/zinc/73/34/62/436733462.db2.gz KNXPYXQKMLYIFY-CYBMUJFWSA-N 1 1 325.409 0.516 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000245849128 436767414 /nfs/dbraw/zinc/76/74/14/436767414.db2.gz FNQXMWJNISVHHO-SUMWQHHRSA-N 1 1 336.436 0.364 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000245849128 436767418 /nfs/dbraw/zinc/76/74/18/436767418.db2.gz FNQXMWJNISVHHO-SUMWQHHRSA-N 1 1 336.436 0.364 20 30 ECEDMO C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000123133730 436738885 /nfs/dbraw/zinc/73/88/85/436738885.db2.gz NSWLPJHEHVCULC-AWEZNQCLSA-N 1 1 344.415 0.918 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000123944550 436743915 /nfs/dbraw/zinc/74/39/15/436743915.db2.gz NRLTYBAKDMHELS-CHWSQXEVSA-N 1 1 337.445 0.973 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000068773103 436755209 /nfs/dbraw/zinc/75/52/09/436755209.db2.gz GVZOXMGLUPPWMM-UHFFFAOYSA-N 1 1 332.364 0.826 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000249132615 436816855 /nfs/dbraw/zinc/81/68/55/436816855.db2.gz DHOUPDWIOQYOSE-UONOGXRCSA-N 1 1 344.419 0.678 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131303447 436851137 /nfs/dbraw/zinc/85/11/37/436851137.db2.gz GFZFAUKTGMWLAQ-GDBMZVCRSA-N 1 1 349.479 0.409 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)ccc1C(=O)OC ZINC000293255645 436860859 /nfs/dbraw/zinc/86/08/59/436860859.db2.gz DRICZNVZRQEJOQ-UHFFFAOYSA-N 1 1 349.362 0.622 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000293328163 436865619 /nfs/dbraw/zinc/86/56/19/436865619.db2.gz JGEXFMCSMOWQSW-UHFFFAOYSA-N 1 1 328.372 0.191 20 30 ECEDMO CN(C)C(=O)C[N@@H+]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000129368665 436825874 /nfs/dbraw/zinc/82/58/74/436825874.db2.gz SCIFVEWWSICLOX-UHFFFAOYSA-N 1 1 340.431 0.802 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000129368665 436825875 /nfs/dbraw/zinc/82/58/75/436825875.db2.gz SCIFVEWWSICLOX-UHFFFAOYSA-N 1 1 340.431 0.802 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249867700 436827243 /nfs/dbraw/zinc/82/72/43/436827243.db2.gz ILRUWQOHLFRIFH-QWHCGFSZSA-N 1 1 346.435 0.804 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249867700 436827247 /nfs/dbraw/zinc/82/72/47/436827247.db2.gz ILRUWQOHLFRIFH-QWHCGFSZSA-N 1 1 346.435 0.804 20 30 ECEDMO CC[C@@]1(CO)CCC[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000251780031 436828927 /nfs/dbraw/zinc/82/89/27/436828927.db2.gz LIIBBJPDVBDDFV-AEFFLSMTSA-N 1 1 336.480 0.916 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000129950657 436832278 /nfs/dbraw/zinc/83/22/78/436832278.db2.gz GVVHWBRJROYKTP-CABCVRRESA-N 1 1 349.479 0.241 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000293879270 436916795 /nfs/dbraw/zinc/91/67/95/436916795.db2.gz UATGVSXMRPPYBZ-UHFFFAOYSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000294006989 436926188 /nfs/dbraw/zinc/92/61/88/436926188.db2.gz PIKMHHOZIHHAES-GOSISDBHSA-N 1 1 342.399 0.426 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000293416748 436875110 /nfs/dbraw/zinc/87/51/10/436875110.db2.gz PNOXDKJJZFQEAG-UHFFFAOYSA-N 1 1 344.415 0.525 20 30 ECEDMO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000161429988 436889620 /nfs/dbraw/zinc/88/96/20/436889620.db2.gz WIWRQGHDRCNWEU-ZDUSSCGKSA-N 1 1 333.360 0.427 20 30 ECEDMO C[C@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)CN1CC[NH+](C)CC1 ZINC000136308538 436930915 /nfs/dbraw/zinc/93/09/15/436930915.db2.gz ZMGJBLMRGBFWIY-OAHLLOKOSA-N 1 1 343.427 0.767 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)NC)oc1C ZINC000294040148 436930989 /nfs/dbraw/zinc/93/09/89/436930989.db2.gz SITFSOWWRVVOBB-UHFFFAOYSA-N 1 1 327.406 0.181 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 ZINC000294064107 436931918 /nfs/dbraw/zinc/93/19/18/436931918.db2.gz VEVNDWMTGXVYOD-UHFFFAOYSA-N 1 1 337.445 0.636 20 30 ECEDMO [NH2+]=C(NC[C@H]1CCCCN1C1CC1)N1CCN(c2ncccn2)CC1 ZINC000262895590 436943432 /nfs/dbraw/zinc/94/34/32/436943432.db2.gz XGGCBMMHDNMKGP-MRXNPFEDSA-N 1 1 343.479 0.930 20 30 ECEDMO CCc1ccc(C#CC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000294537315 436960902 /nfs/dbraw/zinc/96/09/02/436960902.db2.gz AEDORCXUWGCXMP-UHFFFAOYSA-N 1 1 327.428 0.881 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCS[C@@H](C)C3)CC2)o1 ZINC000171691707 436985058 /nfs/dbraw/zinc/98/50/58/436985058.db2.gz LWNDXLXTLVERRB-LBPRGKRZSA-N 1 1 349.460 0.941 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCS[C@@H](C)C3)CC2)o1 ZINC000171691707 436985059 /nfs/dbraw/zinc/98/50/59/436985059.db2.gz LWNDXLXTLVERRB-LBPRGKRZSA-N 1 1 349.460 0.941 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000296236024 436988197 /nfs/dbraw/zinc/98/81/97/436988197.db2.gz GNIKWGKMLBNJHW-UHFFFAOYSA-N 1 1 348.451 0.026 20 30 ECEDMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000172020626 436995926 /nfs/dbraw/zinc/99/59/26/436995926.db2.gz SKFWWYOTHRLTHP-AWEZNQCLSA-N 1 1 336.417 0.510 20 30 ECEDMO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC000282174172 437011811 /nfs/dbraw/zinc/01/18/11/437011811.db2.gz DYYMJULNYMDBOI-UHFFFAOYSA-N 1 1 331.424 0.633 20 30 ECEDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000276027312 437046259 /nfs/dbraw/zinc/04/62/59/437046259.db2.gz QAVYHAXNPPFNBJ-LBPRGKRZSA-N 1 1 346.435 0.858 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000298792646 437053607 /nfs/dbraw/zinc/05/36/07/437053607.db2.gz JICVTIVPYCGQKD-MRXNPFEDSA-N 1 1 349.456 0.944 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000264792890 437085936 /nfs/dbraw/zinc/08/59/36/437085936.db2.gz UZRPITKZPDVRJL-WHWKNOJMSA-N 1 1 328.416 0.964 20 30 ECEDMO C#CCNc1nc(N(C)CC[C@@H](C)O)nc(N(C)CC[C@@H](C)O)[nH+]1 ZINC000287178681 437167573 /nfs/dbraw/zinc/16/75/73/437167573.db2.gz GROCIHCDWVFOCK-CHWSQXEVSA-N 1 1 336.440 0.331 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000266696608 437230181 /nfs/dbraw/zinc/23/01/81/437230181.db2.gz WBZATFOMFXWNAU-ZDUSSCGKSA-N 1 1 346.387 0.342 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2cccnc2C#N)CCCO1 ZINC000277726229 437247671 /nfs/dbraw/zinc/24/76/71/437247671.db2.gz JIWKKTJIZPSWRA-ZDUSSCGKSA-N 1 1 338.433 0.732 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000328749106 437259855 /nfs/dbraw/zinc/25/98/55/437259855.db2.gz QRJKCINOXMTLAI-HRCADAONSA-N 1 1 340.468 0.274 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000336900600 437308568 /nfs/dbraw/zinc/30/85/68/437308568.db2.gz BLXYIVOHWNOCLT-LSDHHAIUSA-N 1 1 346.497 0.946 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000336921093 437310522 /nfs/dbraw/zinc/31/05/22/437310522.db2.gz RVDJHPKBXCULBT-HNNXBMFYSA-N 1 1 346.497 0.947 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000288349025 437310947 /nfs/dbraw/zinc/31/09/47/437310947.db2.gz IQMMSVZEWPUOFP-UHFFFAOYSA-N 1 1 338.477 0.861 20 30 ECEDMO CN(CCCNS(=O)(=O)Cc1cccc(C#N)c1)CC[NH+](C)C ZINC000288349025 437310950 /nfs/dbraw/zinc/31/09/50/437310950.db2.gz IQMMSVZEWPUOFP-UHFFFAOYSA-N 1 1 338.477 0.861 20 30 ECEDMO C[NH+](C)[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccsc1 ZINC000336923302 437312785 /nfs/dbraw/zinc/31/27/85/437312785.db2.gz SFTZJOFUJMBCOQ-STQMWFEESA-N 1 1 344.462 0.410 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)[N@@H+](C)C1 ZINC000329090099 437316522 /nfs/dbraw/zinc/31/65/22/437316522.db2.gz WGCYZJUBZHOHFT-RDBSUJKOSA-N 1 1 340.468 0.951 20 30 ECEDMO C[C@]1(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCOC1 ZINC000328862747 437275666 /nfs/dbraw/zinc/27/56/66/437275666.db2.gz MGSGHGSIVZIPRI-PBHICJAKSA-N 1 1 339.436 0.835 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333615323 437277716 /nfs/dbraw/zinc/27/77/16/437277716.db2.gz RAOMBMRLRWMFGX-ZNMIVQPWSA-N 1 1 336.436 0.326 20 30 ECEDMO N#Cc1ccnc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000267034216 437280855 /nfs/dbraw/zinc/28/08/55/437280855.db2.gz BQLLILDUIZVKAJ-UHFFFAOYSA-N 1 1 327.348 0.880 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCN(C(C)C)C2=O)[N@@H+](C)C1 ZINC000328994889 437298564 /nfs/dbraw/zinc/29/85/64/437298564.db2.gz GGKJLHQVUCXJFN-IHRRRGAJSA-N 1 1 326.441 0.561 20 30 ECEDMO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000278762054 437341521 /nfs/dbraw/zinc/34/15/21/437341521.db2.gz VJNNDBKLDQQWSP-ZBFHGGJFSA-N 1 1 334.420 0.488 20 30 ECEDMO CCC(=O)N1CSC[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329275667 437345163 /nfs/dbraw/zinc/34/51/63/437345163.db2.gz IUPWPQVJASCAOH-GFCCVEGCSA-N 1 1 342.465 0.419 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000288721814 437348598 /nfs/dbraw/zinc/34/85/98/437348598.db2.gz FPFFDFXNRLETKJ-UHFFFAOYSA-N 1 1 349.410 0.636 20 30 ECEDMO CN(CCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)CC[NH+](C)C ZINC000288721814 437348603 /nfs/dbraw/zinc/34/86/03/437348603.db2.gz FPFFDFXNRLETKJ-UHFFFAOYSA-N 1 1 349.410 0.636 20 30 ECEDMO CS(=O)(=O)N1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329328438 437353962 /nfs/dbraw/zinc/35/39/62/437353962.db2.gz XTOSPOOAMWIDIG-LBPRGKRZSA-N 1 1 330.454 0.104 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000288878391 437365798 /nfs/dbraw/zinc/36/57/98/437365798.db2.gz ULICRHHMEDBLKT-UHFFFAOYSA-N 1 1 345.447 0.839 20 30 ECEDMO CN(CCCN(C)C(=O)C(=O)Nc1cccc(C#N)c1)CC[NH+](C)C ZINC000288878391 437365801 /nfs/dbraw/zinc/36/58/01/437365801.db2.gz ULICRHHMEDBLKT-UHFFFAOYSA-N 1 1 345.447 0.839 20 30 ECEDMO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000329433451 437367524 /nfs/dbraw/zinc/36/75/24/437367524.db2.gz IYFOSFRLDKKEHD-STQMWFEESA-N 1 1 330.454 0.104 20 30 ECEDMO Cc1noc(CCNC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC000329457935 437371140 /nfs/dbraw/zinc/37/11/40/437371140.db2.gz NZCFRFUPXSJHBG-UHFFFAOYSA-N 1 1 347.423 0.776 20 30 ECEDMO Cc1noc(CCNC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000329457935 437371142 /nfs/dbraw/zinc/37/11/42/437371142.db2.gz NZCFRFUPXSJHBG-UHFFFAOYSA-N 1 1 347.423 0.776 20 30 ECEDMO C=CCNC(=O)CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000181655153 437327219 /nfs/dbraw/zinc/32/72/19/437327219.db2.gz IDOVTRFLEZPUPO-KRWDZBQOSA-N 1 1 330.432 0.394 20 30 ECEDMO COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@@H]1C ZINC000329162610 437328583 /nfs/dbraw/zinc/32/85/83/437328583.db2.gz ZRUAGRXMPHGKEG-ZMSDIMECSA-N 1 1 341.452 0.891 20 30 ECEDMO COCC[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@@H]1C ZINC000329162610 437328586 /nfs/dbraw/zinc/32/85/86/437328586.db2.gz ZRUAGRXMPHGKEG-ZMSDIMECSA-N 1 1 341.452 0.891 20 30 ECEDMO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000329183109 437330025 /nfs/dbraw/zinc/33/00/25/437330025.db2.gz NWCMEAIPVDKDBH-KKUMJFAQSA-N 1 1 348.451 0.692 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000337160449 437338364 /nfs/dbraw/zinc/33/83/64/437338364.db2.gz SXUDYDRHLSHURN-UONOGXRCSA-N 1 1 332.470 0.413 20 30 ECEDMO CC1(Cn2cc(C(=O)NCC[NH+]3CCSCC3)nn2)COC1 ZINC000329803708 437414558 /nfs/dbraw/zinc/41/45/58/437414558.db2.gz ZSQPRHRIOOOMQM-UHFFFAOYSA-N 1 1 325.438 0.668 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)C2=O)n(C)n1 ZINC000329807798 437416304 /nfs/dbraw/zinc/41/63/04/437416304.db2.gz OXTHPTNAKYZMDM-MCIONIFRSA-N 1 1 348.451 0.820 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3nccn(C)c3=O)CC2)c1 ZINC000329815896 437416370 /nfs/dbraw/zinc/41/63/70/437416370.db2.gz FGFPCWCPWINMCX-UHFFFAOYSA-N 1 1 328.376 0.851 20 30 ECEDMO C[C@@H](CNC(=O)N1CCc2cncnc2C1)CN1CC[NH+](C)CC1 ZINC000329809578 437416446 /nfs/dbraw/zinc/41/64/46/437416446.db2.gz QDBLZWCTHDNCGA-AWEZNQCLSA-N 1 1 332.452 0.632 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NCC[N@H+]2CCCC[C@H]2C)N(S(C)(=O)=O)C1 ZINC000329860147 437422668 /nfs/dbraw/zinc/42/26/68/437422668.db2.gz PGBGOBHZYATYIK-HZSPNIEDSA-N 1 1 347.481 0.866 20 30 ECEDMO CN1CCO[C@@H]2C[N@@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]21 ZINC000329895538 437427559 /nfs/dbraw/zinc/42/75/59/437427559.db2.gz BZRNFQFKQMTHHM-HRCADAONSA-N 1 1 340.383 0.205 20 30 ECEDMO CN1CCO[C@@H]2C[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]21 ZINC000329895538 437427563 /nfs/dbraw/zinc/42/75/63/437427563.db2.gz BZRNFQFKQMTHHM-HRCADAONSA-N 1 1 340.383 0.205 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)C[C@H]1C ZINC000329519867 437378017 /nfs/dbraw/zinc/37/80/17/437378017.db2.gz QEMDJLYEOOLXDU-CBBWQLFWSA-N 1 1 336.440 0.937 20 30 ECEDMO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H]1C ZINC000329519867 437378019 /nfs/dbraw/zinc/37/80/19/437378019.db2.gz QEMDJLYEOOLXDU-CBBWQLFWSA-N 1 1 336.440 0.937 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H]1C ZINC000329519867 437378021 /nfs/dbraw/zinc/37/80/21/437378021.db2.gz QEMDJLYEOOLXDU-CBBWQLFWSA-N 1 1 336.440 0.937 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1nc2c(s1)COCC2 ZINC000329592093 437387155 /nfs/dbraw/zinc/38/71/55/437387155.db2.gz NYKTWUSNLNLZHN-JTQLQIEISA-N 1 1 325.438 0.788 20 30 ECEDMO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000184318832 437402430 /nfs/dbraw/zinc/40/24/30/437402430.db2.gz NZXJVGNZRIWBMN-HNNXBMFYSA-N 1 1 343.427 0.909 20 30 ECEDMO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC(=O)N1C ZINC000330235482 437473627 /nfs/dbraw/zinc/47/36/27/437473627.db2.gz YUAFZPNFQYHPSA-XJKCOSOUSA-N 1 1 349.435 0.596 20 30 ECEDMO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC(=O)N1C ZINC000330235482 437473630 /nfs/dbraw/zinc/47/36/30/437473630.db2.gz YUAFZPNFQYHPSA-XJKCOSOUSA-N 1 1 349.435 0.596 20 30 ECEDMO O=C(Cn1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cn1)N1CCOCC1 ZINC000330246191 437474025 /nfs/dbraw/zinc/47/40/25/437474025.db2.gz YBYYHQGNTOYAQP-OAHLLOKOSA-N 1 1 347.419 0.957 20 30 ECEDMO O=C(Cn1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cn1)N1CCOCC1 ZINC000330246191 437474027 /nfs/dbraw/zinc/47/40/27/437474027.db2.gz YBYYHQGNTOYAQP-OAHLLOKOSA-N 1 1 347.419 0.957 20 30 ECEDMO CC(C)[NH+]1CCC(O)(CNC([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330280339 437479201 /nfs/dbraw/zinc/47/92/01/437479201.db2.gz SGUSFNRYRHEBCQ-AWEZNQCLSA-N 1 1 335.452 0.937 20 30 ECEDMO CC(C)[NH+]1CCC(O)(C[NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CC1 ZINC000330280339 437479204 /nfs/dbraw/zinc/47/92/04/437479204.db2.gz SGUSFNRYRHEBCQ-AWEZNQCLSA-N 1 1 335.452 0.937 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000329946052 437435664 /nfs/dbraw/zinc/43/56/64/437435664.db2.gz GECYGYBMCNCTKX-DGCLKSJQSA-N 1 1 329.466 0.940 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000329946052 437435668 /nfs/dbraw/zinc/43/56/68/437435668.db2.gz GECYGYBMCNCTKX-DGCLKSJQSA-N 1 1 329.466 0.940 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC1(O)CCC1 ZINC000329948706 437436054 /nfs/dbraw/zinc/43/60/54/437436054.db2.gz KYBUOIJYZCEOCE-AWEZNQCLSA-N 1 1 339.436 0.571 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000330370932 437493271 /nfs/dbraw/zinc/49/32/71/437493271.db2.gz HCJSCHSBHBBYTF-RDBSUJKOSA-N 1 1 332.470 0.412 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000330377369 437496086 /nfs/dbraw/zinc/49/60/86/437496086.db2.gz FFIDYKATJMVCOK-STQMWFEESA-N 1 1 325.438 0.761 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000187626276 437508113 /nfs/dbraw/zinc/50/81/13/437508113.db2.gz KJNHHCVTQCBKDM-CYBMUJFWSA-N 1 1 344.415 0.800 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O ZINC000187626276 437508116 /nfs/dbraw/zinc/50/81/16/437508116.db2.gz KJNHHCVTQCBKDM-CYBMUJFWSA-N 1 1 344.415 0.800 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000187622770 437509781 /nfs/dbraw/zinc/50/97/81/437509781.db2.gz WDWVHRKYHNIJIU-CYBMUJFWSA-N 1 1 344.415 0.800 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1CC(C)(C)O ZINC000187622770 437509786 /nfs/dbraw/zinc/50/97/86/437509786.db2.gz WDWVHRKYHNIJIU-CYBMUJFWSA-N 1 1 344.415 0.800 20 30 ECEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCCCC#N ZINC000343146596 437515243 /nfs/dbraw/zinc/51/52/43/437515243.db2.gz GWIQKUNADMOJKU-UHFFFAOYSA-N 1 1 338.452 0.613 20 30 ECEDMO C[C@H](CNS(=O)(=O)CC1(C#N)CCC1)CN1CCN(C)CC1 ZINC000354116059 437536288 /nfs/dbraw/zinc/53/62/88/437536288.db2.gz WBXWOBLOWZGYRR-CQSZACIVSA-N 1 1 328.482 0.483 20 30 ECEDMO C[C@H](CNS(=O)(=O)CC1(C#N)CCC1)C[NH+]1CCN(C)CC1 ZINC000354116059 437536295 /nfs/dbraw/zinc/53/62/95/437536295.db2.gz WBXWOBLOWZGYRR-CQSZACIVSA-N 1 1 328.482 0.483 20 30 ECEDMO O=C(CC[N@@H+]1CCSC[C@H]1CO)NC(=O)NCC(F)(F)F ZINC000330558156 437552459 /nfs/dbraw/zinc/55/24/59/437552459.db2.gz GLBKODNIOIEUPE-MRVPVSSYSA-N 1 1 329.344 0.379 20 30 ECEDMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000330600304 437564780 /nfs/dbraw/zinc/56/47/80/437564780.db2.gz HDQRJZKIYZEEMW-NSHDSACASA-N 1 1 328.438 0.076 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000330834227 437627660 /nfs/dbraw/zinc/62/76/60/437627660.db2.gz ZOUFVOJSVLAAJO-LBPRGKRZSA-N 1 1 337.424 0.963 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000330834227 437627667 /nfs/dbraw/zinc/62/76/67/437627667.db2.gz ZOUFVOJSVLAAJO-LBPRGKRZSA-N 1 1 337.424 0.963 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000292224947 437672405 /nfs/dbraw/zinc/67/24/05/437672405.db2.gz AJJHVNYFKPVRDX-ZIAGYGMSSA-N 1 1 341.477 0.249 20 30 ECEDMO CC(C)[C@H](CNC(=O)N[C@H]1CC(=O)N(C(C)C)C1)[NH+]1CCOCC1 ZINC000330856064 437635746 /nfs/dbraw/zinc/63/57/46/437635746.db2.gz IFWVOGXXERNTAM-GJZGRUSLSA-N 1 1 340.468 0.856 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000330929142 437651485 /nfs/dbraw/zinc/65/14/85/437651485.db2.gz YDHUHKSXRWPHAR-ZDUSSCGKSA-N 1 1 346.497 0.318 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330970100 437659389 /nfs/dbraw/zinc/65/93/89/437659389.db2.gz MMWNWMQLXHSMTM-UPJWGTAASA-N 1 1 328.413 0.636 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000330986334 437663708 /nfs/dbraw/zinc/66/37/08/437663708.db2.gz QAXDFSGDEVOHIF-GDBMZVCRSA-N 1 1 339.484 0.384 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000355066353 437667361 /nfs/dbraw/zinc/66/73/61/437667361.db2.gz OBADYFANFMJXOA-ZIAGYGMSSA-N 1 1 347.419 0.901 20 30 ECEDMO Cc1cc(NC(=O)CC[NH+]2CCN(c3cccc(C#N)n3)CC2)no1 ZINC000355106479 437670248 /nfs/dbraw/zinc/67/02/48/437670248.db2.gz OZHGOTCVUWHZPB-UHFFFAOYSA-N 1 1 340.387 1.401 20 30 ECEDMO COC(=O)[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C ZINC000331073516 437683596 /nfs/dbraw/zinc/68/35/96/437683596.db2.gz UXLCGMOLBZKVDD-RKDXNWHRSA-N 1 1 339.314 0.710 20 30 ECEDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C ZINC000331073516 437683600 /nfs/dbraw/zinc/68/36/00/437683600.db2.gz UXLCGMOLBZKVDD-RKDXNWHRSA-N 1 1 339.314 0.710 20 30 ECEDMO CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)NC(=O)NCC(C)C)CC1 ZINC000331129420 437694430 /nfs/dbraw/zinc/69/44/30/437694430.db2.gz PORXCFYXEOJZKH-LBPRGKRZSA-N 1 1 326.441 0.909 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H](CO)C3)CC2)o1 ZINC000362071798 437713720 /nfs/dbraw/zinc/71/37/20/437713720.db2.gz ZPRFOGOFFFBGTO-JSGCOSHPSA-N 1 1 347.419 0.064 20 30 ECEDMO N#CC1(F)CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000344742303 437764236 /nfs/dbraw/zinc/76/42/36/437764236.db2.gz PNEVUVPPBZNKIC-ZDUSSCGKSA-N 1 1 339.415 0.611 20 30 ECEDMO Cn1ncc(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1C#N ZINC000356436107 437766140 /nfs/dbraw/zinc/76/61/40/437766140.db2.gz YUWIHEGRBDWEIO-OAHLLOKOSA-N 1 1 339.399 0.441 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000362294234 437729233 /nfs/dbraw/zinc/72/92/33/437729233.db2.gz SEAMKVHARPSSRY-DLBZAZTESA-N 1 1 341.411 0.664 20 30 ECEDMO C[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)NC(C)(C)C ZINC000331265027 437729264 /nfs/dbraw/zinc/72/92/64/437729264.db2.gz HAVZTHCFPYSXTD-ZDUSSCGKSA-N 1 1 341.500 0.819 20 30 ECEDMO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331305287 437738013 /nfs/dbraw/zinc/73/80/13/437738013.db2.gz RFUSDUQWQAIQAR-ZIAGYGMSSA-N 1 1 339.484 0.431 20 30 ECEDMO CCN(C)C(=O)[C@@H](C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331303778 437738051 /nfs/dbraw/zinc/73/80/51/437738051.db2.gz QQRUWJGKXXKHEU-CYBMUJFWSA-N 1 1 327.473 0.383 20 30 ECEDMO CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1O ZINC000341012012 437774648 /nfs/dbraw/zinc/77/46/48/437774648.db2.gz OITJYJXOQMMORC-ZFWWWQNUSA-N 1 1 347.419 0.206 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000363675932 437804096 /nfs/dbraw/zinc/80/40/96/437804096.db2.gz OUNYCISIPGALBT-AGUYFDCRSA-N 1 1 329.466 0.759 20 30 ECEDMO COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)nn1 ZINC000363905702 437808774 /nfs/dbraw/zinc/80/87/74/437808774.db2.gz DFLQZWIDSYWRCU-GDBMZVCRSA-N 1 1 341.371 0.917 20 30 ECEDMO COCC1(C#N)CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000342028793 437948064 /nfs/dbraw/zinc/94/80/64/437948064.db2.gz ZYCKQIAEXYGZSE-UHFFFAOYSA-N 1 1 348.447 0.319 20 30 ECEDMO N#Cc1c2c(cnc1NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000425220021 438019178 /nfs/dbraw/zinc/01/91/78/438019178.db2.gz CRRCNOXCJZDZLH-AWEZNQCLSA-N 1 1 327.432 1.441 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425469041 438023719 /nfs/dbraw/zinc/02/37/19/438023719.db2.gz RXFSFUYRBNPRJY-ZNMIVQPWSA-N 1 1 335.452 0.921 20 30 ECEDMO C=CCn1cc(CNC(=O)NCCCCN2CC[NH+](CC)CC2)nn1 ZINC000425410078 438025308 /nfs/dbraw/zinc/02/53/08/438025308.db2.gz BULPRQSDRWDARY-UHFFFAOYSA-N 1 1 349.483 0.681 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425558896 438027359 /nfs/dbraw/zinc/02/73/59/438027359.db2.gz YGXDMRHDHHJQEN-CJNGLKHVSA-N 1 1 335.452 0.919 20 30 ECEDMO CNS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000372149063 438039764 /nfs/dbraw/zinc/03/97/64/438039764.db2.gz KQZJYDDBBHZGQP-CYBMUJFWSA-N 1 1 339.417 0.569 20 30 ECEDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000372149063 438039771 /nfs/dbraw/zinc/03/97/71/438039771.db2.gz KQZJYDDBBHZGQP-CYBMUJFWSA-N 1 1 339.417 0.569 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000366000985 438002065 /nfs/dbraw/zinc/00/20/65/438002065.db2.gz OILKTORJKKBEAM-INIZCTEOSA-N 1 1 329.400 0.832 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430624984 438117285 /nfs/dbraw/zinc/11/72/85/438117285.db2.gz JRILIJATPDRZJK-MRXNPFEDSA-N 1 1 334.464 0.331 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430624984 438117289 /nfs/dbraw/zinc/11/72/89/438117289.db2.gz JRILIJATPDRZJK-MRXNPFEDSA-N 1 1 334.464 0.331 20 30 ECEDMO CC(C)(CCC#N)CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418214738 438119468 /nfs/dbraw/zinc/11/94/68/438119468.db2.gz XXMGWCXIRCFCFN-AWEZNQCLSA-N 1 1 335.452 0.922 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2C)C1 ZINC000431975516 438179119 /nfs/dbraw/zinc/17/91/19/438179119.db2.gz XHQSAARZIQGKAV-CQSZACIVSA-N 1 1 330.388 0.642 20 30 ECEDMO CC[C@H]1CN(C(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000358269883 438190695 /nfs/dbraw/zinc/19/06/95/438190695.db2.gz DVNVYBFAYFNWOU-INIZCTEOSA-N 1 1 343.431 0.932 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374824689 438231093 /nfs/dbraw/zinc/23/10/93/438231093.db2.gz BFIQZQGECXQACH-UHFFFAOYSA-N 1 1 342.465 0.248 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNC(=O)CNc2ccc(C#N)cn2)CCCO1 ZINC000432578285 438203507 /nfs/dbraw/zinc/20/35/07/438203507.db2.gz YZBFGSXUPWEYAX-CQSZACIVSA-N 1 1 331.420 0.982 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N1CCOCC1 ZINC000375785756 438262679 /nfs/dbraw/zinc/26/26/79/438262679.db2.gz KUYTZEIPRURWJV-CQSZACIVSA-N 1 1 325.409 0.612 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N1CCOCC1 ZINC000375785756 438262682 /nfs/dbraw/zinc/26/26/82/438262682.db2.gz KUYTZEIPRURWJV-CQSZACIVSA-N 1 1 325.409 0.612 20 30 ECEDMO N#CCSCCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376178825 438272579 /nfs/dbraw/zinc/27/25/79/438272579.db2.gz VAIHMZPWIPRCTH-CQSZACIVSA-N 1 1 347.506 0.760 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000376207747 438275669 /nfs/dbraw/zinc/27/56/69/438275669.db2.gz CRAOQEXWWLDPEO-AWEZNQCLSA-N 1 1 328.420 0.647 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)CCC(C)(C)C#N)CC2)C1 ZINC000377832028 438329487 /nfs/dbraw/zinc/32/94/87/438329487.db2.gz ATTGKBCXTMRZSM-HNNXBMFYSA-N 1 1 342.509 0.968 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000368522036 438341932 /nfs/dbraw/zinc/34/19/32/438341932.db2.gz KPAGGSSKAXFETB-ZDUSSCGKSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000368540502 438345440 /nfs/dbraw/zinc/34/54/40/438345440.db2.gz YGCBMJWXCHQOHQ-INIZCTEOSA-N 1 1 325.453 0.492 20 30 ECEDMO C=CCC[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1=O ZINC000419960804 438378951 /nfs/dbraw/zinc/37/89/51/438378951.db2.gz YGPYREFRSRZLEA-KBPBESRZSA-N 1 1 336.436 0.816 20 30 ECEDMO C=CCC[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1=O ZINC000419960805 438379188 /nfs/dbraw/zinc/37/91/88/438379188.db2.gz YGPYREFRSRZLEA-KGLIPLIRSA-N 1 1 336.436 0.816 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000352240468 438402062 /nfs/dbraw/zinc/40/20/62/438402062.db2.gz BXZSPRVHSZGVEW-QGZVFWFLSA-N 1 1 325.453 0.716 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000352240468 438402065 /nfs/dbraw/zinc/40/20/65/438402065.db2.gz BXZSPRVHSZGVEW-QGZVFWFLSA-N 1 1 325.453 0.716 20 30 ECEDMO C[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)CN1CC[NH+](C)CC1 ZINC000438306936 438474498 /nfs/dbraw/zinc/47/44/98/438474498.db2.gz QWZDRHZJMUTHCC-AWEZNQCLSA-N 1 1 333.440 0.802 20 30 ECEDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000421307262 438481160 /nfs/dbraw/zinc/48/11/60/438481160.db2.gz XFGIQTDTCKEGJC-OAHLLOKOSA-N 1 1 326.400 1.000 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000369328697 438455235 /nfs/dbraw/zinc/45/52/35/438455235.db2.gz CLDOLNMVGSWSSA-ZDUSSCGKSA-N 1 1 332.470 0.244 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)nn1CCC#N ZINC000439590869 438519904 /nfs/dbraw/zinc/51/99/04/438519904.db2.gz ASUROFUWMUFSCM-CQSZACIVSA-N 1 1 344.419 0.739 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000369867597 438522574 /nfs/dbraw/zinc/52/25/74/438522574.db2.gz KOVFPXWZPDPPPE-UONOGXRCSA-N 1 1 346.522 0.836 20 30 ECEDMO N#Cc1c(F)cccc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369959511 438535109 /nfs/dbraw/zinc/53/51/09/438535109.db2.gz ICQABRXOYQDXPH-AWEZNQCLSA-N 1 1 346.406 0.834 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000443512856 438653086 /nfs/dbraw/zinc/65/30/86/438653086.db2.gz VUPCNWNXFKTISE-MRXNPFEDSA-N 1 1 327.344 1.493 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411990511 438685598 /nfs/dbraw/zinc/68/55/98/438685598.db2.gz XPCUELOUVHOAJT-BMFZPTHFSA-N 1 1 328.416 0.948 20 30 ECEDMO N#CCC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000450124416 438688869 /nfs/dbraw/zinc/68/88/69/438688869.db2.gz BGTGUZATOLUTAZ-MRXNPFEDSA-N 1 1 326.400 0.845 20 30 ECEDMO N#CCC(=O)N1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000450124416 438688872 /nfs/dbraw/zinc/68/88/72/438688872.db2.gz BGTGUZATOLUTAZ-MRXNPFEDSA-N 1 1 326.400 0.845 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413514382 438694765 /nfs/dbraw/zinc/69/47/65/438694765.db2.gz JBFGVRPSKPFNJZ-ZNMIVQPWSA-N 1 1 339.436 0.714 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000453803236 438694894 /nfs/dbraw/zinc/69/48/94/438694894.db2.gz GEJFIELYZCTJQP-HNNXBMFYSA-N 1 1 344.415 0.768 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1C#N ZINC000453807095 438696238 /nfs/dbraw/zinc/69/62/38/438696238.db2.gz OVXWERPBQAWUGI-CQSZACIVSA-N 1 1 344.415 0.768 20 30 ECEDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000453962982 438703197 /nfs/dbraw/zinc/70/31/97/438703197.db2.gz HLLYYMONGJQJKE-CQSZACIVSA-N 1 1 346.435 0.986 20 30 ECEDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000453962982 438703199 /nfs/dbraw/zinc/70/31/99/438703199.db2.gz HLLYYMONGJQJKE-CQSZACIVSA-N 1 1 346.435 0.986 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000555879168 438779140 /nfs/dbraw/zinc/77/91/40/438779140.db2.gz VVEHNOUTBKNSOZ-CVEARBPZSA-N 1 1 349.479 0.231 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000555879168 438779142 /nfs/dbraw/zinc/77/91/42/438779142.db2.gz VVEHNOUTBKNSOZ-CVEARBPZSA-N 1 1 349.479 0.231 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2CC(N)=O)cc1 ZINC000595523513 438814156 /nfs/dbraw/zinc/81/41/56/438814156.db2.gz RPZBSADZLDGFGR-HUUCEWRRSA-N 1 1 333.388 0.069 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2CC(N)=O)cc1 ZINC000595523513 438814160 /nfs/dbraw/zinc/81/41/60/438814160.db2.gz RPZBSADZLDGFGR-HUUCEWRRSA-N 1 1 333.388 0.069 20 30 ECEDMO CN1CCN(C(=O)CC[NH+]2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595629636 438836657 /nfs/dbraw/zinc/83/66/57/438836657.db2.gz HOOAGAOTMRPANZ-UHFFFAOYSA-N 1 1 347.488 0.906 20 30 ECEDMO CNC(=O)CCN(C)c1cc(C)[nH+]c(N(C)CCC(=O)NC)c1C#N ZINC000589112852 438855820 /nfs/dbraw/zinc/85/58/20/438855820.db2.gz DVKKGMPAZAJONH-UHFFFAOYSA-N 1 1 346.435 0.406 20 30 ECEDMO CO[C@]1(CO)CCC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000595660711 438840763 /nfs/dbraw/zinc/84/07/63/438840763.db2.gz UYGUTTKVNMMLCG-SJLPKXTDSA-N 1 1 334.416 0.966 20 30 ECEDMO COC(=O)[C@](C)(O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000588964543 438849835 /nfs/dbraw/zinc/84/98/35/438849835.db2.gz YXZHHWNEKBSCIZ-NVXWUHKLSA-N 1 1 335.379 0.932 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000595739859 438854242 /nfs/dbraw/zinc/85/42/42/438854242.db2.gz KZKRMFBVQPUONT-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000590255461 438903968 /nfs/dbraw/zinc/90/39/68/438903968.db2.gz NEZVBVAMDJQYHL-INIZCTEOSA-N 1 1 343.431 0.398 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)ncc1C#N ZINC000577647413 438859724 /nfs/dbraw/zinc/85/97/24/438859724.db2.gz NLYJCTDOBMGYND-LBPRGKRZSA-N 1 1 345.403 0.285 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC(CO)(CO)C3)C2=O)cc1 ZINC000595808756 438865414 /nfs/dbraw/zinc/86/54/14/438865414.db2.gz VYZYKLKONWNVHX-MRXNPFEDSA-N 1 1 329.400 0.730 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC(CO)(CO)C3)C2=O)cc1 ZINC000595808756 438865418 /nfs/dbraw/zinc/86/54/18/438865418.db2.gz VYZYKLKONWNVHX-MRXNPFEDSA-N 1 1 329.400 0.730 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000595832817 438866496 /nfs/dbraw/zinc/86/64/96/438866496.db2.gz QPVHZSXSUAUHCU-ULQDDVLXSA-N 1 1 334.464 0.647 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595825210 438868925 /nfs/dbraw/zinc/86/89/25/438868925.db2.gz CVWWYNZXSHCOGG-RYUDHWBXSA-N 1 1 325.413 0.074 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595825210 438868929 /nfs/dbraw/zinc/86/89/29/438868929.db2.gz CVWWYNZXSHCOGG-RYUDHWBXSA-N 1 1 325.413 0.074 20 30 ECEDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000595827907 438868962 /nfs/dbraw/zinc/86/89/62/438868962.db2.gz RVLJASAMHDNGTP-HOTGVXAUSA-N 1 1 346.431 0.986 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC([N@H+]3CCCOCC3)CC2)CC1 ZINC000601439433 438893245 /nfs/dbraw/zinc/89/32/45/438893245.db2.gz HHSGYDRCQFKYBE-UHFFFAOYSA-N 1 1 327.450 0.807 20 30 ECEDMO C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[N@@H+](C)C1CC1 ZINC000516503950 438910617 /nfs/dbraw/zinc/91/06/17/438910617.db2.gz AJEAAOCIJOTTQE-NSHDSACASA-N 1 1 333.440 0.920 20 30 ECEDMO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(CCC#N)CC2)C[C@H](C)O1 ZINC000601547307 438931535 /nfs/dbraw/zinc/93/15/35/438931535.db2.gz UWKGAQDYEKMXIL-IYBDPMFKSA-N 1 1 337.468 0.727 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000579108879 438981445 /nfs/dbraw/zinc/98/14/45/438981445.db2.gz INKWIAXFLXXQIB-HNNXBMFYSA-N 1 1 337.445 0.378 20 30 ECEDMO N#Cc1cc(F)cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)c1 ZINC000602021726 438997589 /nfs/dbraw/zinc/99/75/89/438997589.db2.gz BSNXTXQRKRDWLF-UHFFFAOYSA-N 1 1 336.392 0.801 20 30 ECEDMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602247603 439048449 /nfs/dbraw/zinc/04/84/49/439048449.db2.gz CLTOQQWDNWYANB-UHFFFAOYSA-N 1 1 346.435 0.146 20 30 ECEDMO C[C@H](CC#N)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000597167580 439051638 /nfs/dbraw/zinc/05/16/38/439051638.db2.gz KYQURHYDZMRINV-OAHLLOKOSA-N 1 1 349.479 0.233 20 30 ECEDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000597244440 439061408 /nfs/dbraw/zinc/06/14/08/439061408.db2.gz RBPRUJBWNGZIBE-AWEZNQCLSA-N 1 1 332.379 0.914 20 30 ECEDMO C[N@@H+](CCc1ccccc1)CC(=O)N1CCN(C(=O)CC#N)CC1 ZINC000602121401 439014164 /nfs/dbraw/zinc/01/41/64/439014164.db2.gz JBDANPPXSZIOAO-UHFFFAOYSA-N 1 1 328.416 0.745 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)nc1 ZINC000579583825 439020141 /nfs/dbraw/zinc/02/01/41/439020141.db2.gz NQOSBPWVSGFHDL-UONOGXRCSA-N 1 1 348.428 0.470 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2(C#N)CCCCC2)C1 ZINC000597251675 439063589 /nfs/dbraw/zinc/06/35/89/439063589.db2.gz DBZIEEDLUGOZAF-CQSZACIVSA-N 1 1 336.436 0.414 20 30 ECEDMO N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000591850527 439086332 /nfs/dbraw/zinc/08/63/32/439086332.db2.gz JKNNJIRNXWSUES-XHSDSOJGSA-N 1 1 335.452 0.384 20 30 ECEDMO Cc1c(C(=O)N[C@@H](C#N)CO)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000597747541 439173138 /nfs/dbraw/zinc/17/31/38/439173138.db2.gz QZJQFVDEZAJOOM-ZDUSSCGKSA-N 1 1 340.387 0.178 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)c1C#N ZINC000602817704 439138605 /nfs/dbraw/zinc/13/86/05/439138605.db2.gz VTTNXPYMFAJAHB-ZDUSSCGKSA-N 1 1 326.408 0.501 20 30 ECEDMO N#CCCC[C@@H]([NH3+])C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000567467670 439144672 /nfs/dbraw/zinc/14/46/72/439144672.db2.gz HSBQKXGELGGDFV-GOSISDBHSA-N 1 1 343.475 0.942 20 30 ECEDMO N#CC[C@]1(O)CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000592146294 439164975 /nfs/dbraw/zinc/16/49/75/439164975.db2.gz GXWXBWXTVLCLPM-IBGZPJMESA-N 1 1 342.443 0.681 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592150848 439166057 /nfs/dbraw/zinc/16/60/57/439166057.db2.gz HPLNHJYFMMFOIA-RDJZCZTQSA-N 1 1 333.436 0.029 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592150848 439166062 /nfs/dbraw/zinc/16/60/62/439166062.db2.gz HPLNHJYFMMFOIA-RDJZCZTQSA-N 1 1 333.436 0.029 20 30 ECEDMO CC[C@]1(O)CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000602983192 439175732 /nfs/dbraw/zinc/17/57/32/439175732.db2.gz DNMUUGSIRMVUNB-WMZOPIPTSA-N 1 1 336.480 0.916 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000592204279 439181068 /nfs/dbraw/zinc/18/10/68/439181068.db2.gz AQPPSXRVOQCXRJ-RBSFLKMASA-N 1 1 334.372 0.154 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H](C)n2cc(-c3cncc(C#N)c3)nn2)CC1 ZINC000603184423 439205115 /nfs/dbraw/zinc/20/51/15/439205115.db2.gz UYQVAXHFWLSLPC-ZDUSSCGKSA-N 1 1 339.403 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000490615730 439278544 /nfs/dbraw/zinc/27/85/44/439278544.db2.gz HIPIZEWMWLCUHY-KGLIPLIRSA-N 1 1 347.415 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000490617554 439280250 /nfs/dbraw/zinc/28/02/50/439280250.db2.gz QSRWHNYPAYMFLG-CQSZACIVSA-N 1 1 336.413 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000490617554 439280253 /nfs/dbraw/zinc/28/02/53/439280253.db2.gz QSRWHNYPAYMFLG-CQSZACIVSA-N 1 1 336.413 0.849 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(Cc3cnc4c(C#N)cnn4c3)CC2)C1 ZINC000592499465 439241291 /nfs/dbraw/zinc/24/12/91/439241291.db2.gz DJGNCXMHBIPUJK-KRWDZBQOSA-N 1 1 339.447 0.813 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](c3nc[nH]n3)C2)cc1 ZINC000581880718 439261002 /nfs/dbraw/zinc/26/10/02/439261002.db2.gz IZLKFKKSNBBSSL-CYBMUJFWSA-N 1 1 331.401 0.940 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)n(CCC#N)n1 ZINC000568622335 439262902 /nfs/dbraw/zinc/26/29/02/439262902.db2.gz BSPBPHSYTLFNIN-UONOGXRCSA-N 1 1 344.419 0.596 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)CC1 ZINC000490972514 439320359 /nfs/dbraw/zinc/32/03/59/439320359.db2.gz GIZKQLSTDPVGGD-QGZVFWFLSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)CC1 ZINC000490972514 439320363 /nfs/dbraw/zinc/32/03/63/439320363.db2.gz GIZKQLSTDPVGGD-QGZVFWFLSA-N 1 1 349.475 0.818 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000528455169 439335288 /nfs/dbraw/zinc/33/52/88/439335288.db2.gz CIDHIZCGOMMSAA-UHFFFAOYSA-N 1 1 348.362 0.840 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000528455169 439335293 /nfs/dbraw/zinc/33/52/93/439335293.db2.gz CIDHIZCGOMMSAA-UHFFFAOYSA-N 1 1 348.362 0.840 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000490680218 439288236 /nfs/dbraw/zinc/28/82/36/439288236.db2.gz YWFDMTKSNPKVOT-DZGCQCFKSA-N 1 1 349.456 0.811 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CC[N@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490912809 439309807 /nfs/dbraw/zinc/30/98/07/439309807.db2.gz AZLQVMOIASUNFO-GJZGRUSLSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)CC1 ZINC000491298217 439364833 /nfs/dbraw/zinc/36/48/33/439364833.db2.gz UWJMAVXSHOYXOV-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C[C@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CC[N@H+]1CCO ZINC000528465731 439339517 /nfs/dbraw/zinc/33/95/17/439339517.db2.gz QVBCHDDKPWWACN-HNNXBMFYSA-N 1 1 341.411 0.284 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)NCCOCCC(C)C)CC1 ZINC000491153732 439339891 /nfs/dbraw/zinc/33/98/91/439339891.db2.gz CURRJSPCGLENKY-UHFFFAOYSA-N 1 1 337.464 0.627 20 30 ECEDMO C#CCNC(=O)CC[N@@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000491164868 439342249 /nfs/dbraw/zinc/34/22/49/439342249.db2.gz GIRIJPGCTBFCGK-UHFFFAOYSA-N 1 1 333.388 0.714 20 30 ECEDMO C#CCNC(=O)CC[N@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000491164868 439342256 /nfs/dbraw/zinc/34/22/56/439342256.db2.gz GIRIJPGCTBFCGK-UHFFFAOYSA-N 1 1 333.388 0.714 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000491209426 439347460 /nfs/dbraw/zinc/34/74/60/439347460.db2.gz HBDRNKOZZQSYEV-HNNXBMFYSA-N 1 1 343.431 0.514 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000491209426 439347465 /nfs/dbraw/zinc/34/74/65/439347465.db2.gz HBDRNKOZZQSYEV-HNNXBMFYSA-N 1 1 343.431 0.514 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528539872 439347564 /nfs/dbraw/zinc/34/75/64/439347564.db2.gz YBEDLWBBCZDHEG-AWEZNQCLSA-N 1 1 344.481 0.509 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1nc2c(s1)COCC2 ZINC000491209299 439348094 /nfs/dbraw/zinc/34/80/94/439348094.db2.gz FDFNKLGSLPBGTG-UHFFFAOYSA-N 1 1 336.417 0.226 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000491202092 439348922 /nfs/dbraw/zinc/34/89/22/439348922.db2.gz LQOBSAXBPIHKPU-SJORKVTESA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000491231218 439355010 /nfs/dbraw/zinc/35/50/10/439355010.db2.gz RHOTXRKOUZVIFS-UHFFFAOYSA-N 1 1 328.460 0.962 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000491231218 439355014 /nfs/dbraw/zinc/35/50/14/439355014.db2.gz RHOTXRKOUZVIFS-UHFFFAOYSA-N 1 1 328.460 0.962 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)[C@@]3(CCCO3)[C@H]2C(C)C)CC1 ZINC000491340442 439368365 /nfs/dbraw/zinc/36/83/65/439368365.db2.gz XWLSKFBXWSCXMS-VQIMIIECSA-N 1 1 347.459 0.821 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000491372633 439374701 /nfs/dbraw/zinc/37/47/01/439374701.db2.gz KEUDARIRESDIEA-UHFFFAOYSA-N 1 1 332.452 0.202 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000491629114 439414804 /nfs/dbraw/zinc/41/48/04/439414804.db2.gz NZRZWTWLHLYHOD-DZGCQCFKSA-N 1 1 332.448 0.783 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](Cc1cccc(OC)c1)NC(C)=O ZINC000491639879 439416995 /nfs/dbraw/zinc/41/69/95/439416995.db2.gz ZASJADHBUXBVNT-GOSISDBHSA-N 1 1 345.443 0.814 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000491659180 439422530 /nfs/dbraw/zinc/42/25/30/439422530.db2.gz KWSRIKUJOCFFCV-UHFFFAOYSA-N 1 1 342.399 0.537 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](OCc3ccncc3)C2)CC1 ZINC000491676219 439427277 /nfs/dbraw/zinc/42/72/77/439427277.db2.gz YWSJGUSQPFOCEV-GOSISDBHSA-N 1 1 342.443 0.450 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccccc2C)CC1 ZINC000491734754 439437859 /nfs/dbraw/zinc/43/78/59/439437859.db2.gz SVKUVXMEKUCLAF-UHFFFAOYSA-N 1 1 342.443 0.691 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC000491737724 439439062 /nfs/dbraw/zinc/43/90/62/439439062.db2.gz VUMVBAASQTVUTJ-UHFFFAOYSA-N 1 1 329.466 0.598 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC000491737724 439439068 /nfs/dbraw/zinc/43/90/68/439439068.db2.gz VUMVBAASQTVUTJ-UHFFFAOYSA-N 1 1 329.466 0.598 20 30 ECEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)CCOCC1 ZINC000599363851 439447272 /nfs/dbraw/zinc/44/72/72/439447272.db2.gz GKOGJXBSVXSJID-GJZGRUSLSA-N 1 1 336.436 0.594 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000491792390 439451194 /nfs/dbraw/zinc/45/11/94/439451194.db2.gz FPKUHMVGVKJYEQ-ZDUSSCGKSA-N 1 1 330.450 0.040 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000491792390 439451198 /nfs/dbraw/zinc/45/11/98/439451198.db2.gz FPKUHMVGVKJYEQ-ZDUSSCGKSA-N 1 1 330.450 0.040 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)C(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000491794340 439451799 /nfs/dbraw/zinc/45/17/99/439451799.db2.gz QEICBNABQAGVIN-HZPDHXFCSA-N 1 1 347.459 0.821 20 30 ECEDMO COCC[N@@H+](Cc1ccnn1C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599395820 439455066 /nfs/dbraw/zinc/45/50/66/439455066.db2.gz LDJLRMBEQCLMCG-MRXNPFEDSA-N 1 1 336.436 0.940 20 30 ECEDMO COCC[N@H+](Cc1ccnn1C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599395820 439455071 /nfs/dbraw/zinc/45/50/71/439455071.db2.gz LDJLRMBEQCLMCG-MRXNPFEDSA-N 1 1 336.436 0.940 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855438 439478741 /nfs/dbraw/zinc/47/87/41/439478741.db2.gz QQPDCPNCYBRBHJ-CQSZACIVSA-N 1 1 331.372 0.223 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855438 439478746 /nfs/dbraw/zinc/47/87/46/439478746.db2.gz QQPDCPNCYBRBHJ-CQSZACIVSA-N 1 1 331.372 0.223 20 30 ECEDMO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599475073 439482932 /nfs/dbraw/zinc/48/29/32/439482932.db2.gz ZUQBYQBFNHYISR-RHSMWYFYSA-N 1 1 340.420 0.712 20 30 ECEDMO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599475073 439482937 /nfs/dbraw/zinc/48/29/37/439482937.db2.gz ZUQBYQBFNHYISR-RHSMWYFYSA-N 1 1 340.420 0.712 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599575752 439509203 /nfs/dbraw/zinc/50/92/03/439509203.db2.gz YUVQKIVOXWZNHY-LBPRGKRZSA-N 1 1 347.423 0.022 20 30 ECEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 ZINC000533460166 439524908 /nfs/dbraw/zinc/52/49/08/439524908.db2.gz WNUXOZMWWPZCGU-CQSZACIVSA-N 1 1 346.435 0.844 20 30 ECEDMO CCN1CC[NH+](CCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000540453594 439549144 /nfs/dbraw/zinc/54/91/44/439549144.db2.gz XHFZMUQTALAZDD-UHFFFAOYSA-N 1 1 347.467 0.282 20 30 ECEDMO C[C@@H](CNC(=O)CNc1ccc(C#N)cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594404067 439555976 /nfs/dbraw/zinc/55/59/76/439555976.db2.gz QSZHANDVSDSIDJ-MELADBBJSA-N 1 1 331.420 0.979 20 30 ECEDMO C[C@@H](CNC(=O)CNc1ccc(C#N)cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594404067 439555981 /nfs/dbraw/zinc/55/59/81/439555981.db2.gz QSZHANDVSDSIDJ-MELADBBJSA-N 1 1 331.420 0.979 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1Cl ZINC000594478322 439567703 /nfs/dbraw/zinc/56/77/03/439567703.db2.gz OYZIZRHDCUZGLO-NWDGAFQWSA-N 1 1 341.820 0.651 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1Cl ZINC000594478322 439567706 /nfs/dbraw/zinc/56/77/06/439567706.db2.gz OYZIZRHDCUZGLO-NWDGAFQWSA-N 1 1 341.820 0.651 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000594789262 439612545 /nfs/dbraw/zinc/61/25/45/439612545.db2.gz KDAGIZZLRXSOHY-ZDUSSCGKSA-N 1 1 332.470 0.556 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000610684685 439638701 /nfs/dbraw/zinc/63/87/01/439638701.db2.gz XOAACGGCEFIFAY-KGLIPLIRSA-N 1 1 343.435 0.663 20 30 ECEDMO N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000585726676 439646460 /nfs/dbraw/zinc/64/64/60/439646460.db2.gz ZSAPNDSXPAFLMQ-CYBMUJFWSA-N 1 1 344.390 0.914 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000595073132 439651885 /nfs/dbraw/zinc/65/18/85/439651885.db2.gz MQMCBOYXDWOUDM-GFCCVEGCSA-N 1 1 332.408 0.724 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000600846880 439709979 /nfs/dbraw/zinc/70/99/79/439709979.db2.gz UIJQVCKCHIPEKO-DDUZABMNSA-N 1 1 345.447 0.771 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000600846880 439709980 /nfs/dbraw/zinc/70/99/80/439709980.db2.gz UIJQVCKCHIPEKO-DDUZABMNSA-N 1 1 345.447 0.771 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000574032880 439680073 /nfs/dbraw/zinc/68/00/73/439680073.db2.gz JQJJXAKDOXNWDC-FPCVCCKLSA-N 1 1 335.448 0.779 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000611371635 439695030 /nfs/dbraw/zinc/69/50/30/439695030.db2.gz PMODDFFQORILES-IRXDYDNUSA-N 1 1 336.480 0.773 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1nnnn1CC1CC1 ZINC000600738050 439697202 /nfs/dbraw/zinc/69/72/02/439697202.db2.gz XWUQPLZKRIJFIN-CQSZACIVSA-N 1 1 328.376 0.484 20 30 ECEDMO C=C[C@@](C)(O)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000611802033 439730385 /nfs/dbraw/zinc/73/03/85/439730385.db2.gz FNPUIEXOYSBZLF-GOSISDBHSA-N 1 1 331.416 0.879 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000595490380 439734595 /nfs/dbraw/zinc/73/45/95/439734595.db2.gz ZHFBUDSIZGNFAY-BDJLRTHQSA-N 1 1 333.440 1.009 20 30 ECEDMO C=C[C@H](O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000612054444 439745387 /nfs/dbraw/zinc/74/53/87/439745387.db2.gz TXHZIMZZJIVQQO-INIZCTEOSA-N 1 1 331.416 0.879 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)c1C#N ZINC000616023854 439810843 /nfs/dbraw/zinc/81/08/43/439810843.db2.gz QAAHDKNJSONRGW-OAHLLOKOSA-N 1 1 330.436 0.733 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000636317735 439870692 /nfs/dbraw/zinc/87/06/92/439870692.db2.gz SVQKKESLFXYCBI-UHFFFAOYSA-N 1 1 332.404 0.492 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000665828417 440538232 /nfs/dbraw/zinc/53/82/32/440538232.db2.gz BVUHBWSPLQIPGB-JKSUJKDBSA-N 1 1 325.453 0.930 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000665828415 440538299 /nfs/dbraw/zinc/53/82/99/440538299.db2.gz BVUHBWSPLQIPGB-HOTGVXAUSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)n1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000640919786 441026545 /nfs/dbraw/zinc/02/65/45/441026545.db2.gz GKQOACUBQRUSNR-GDBMZVCRSA-N 1 1 333.436 0.996 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)n1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000640919786 441026553 /nfs/dbraw/zinc/02/65/53/441026553.db2.gz GKQOACUBQRUSNR-GDBMZVCRSA-N 1 1 333.436 0.996 20 30 ECEDMO O=C(NCC#CCO)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635900860 441027509 /nfs/dbraw/zinc/02/75/09/441027509.db2.gz XPRPFQKJPWIRRC-HKUYNNGSSA-N 1 1 328.412 0.637 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000559449520 322220079 /nfs/dbraw/zinc/22/00/79/322220079.db2.gz GGRFQCQWGIQSCT-AWEZNQCLSA-N 1 1 329.404 0.579 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1Cl ZINC000562554349 322278016 /nfs/dbraw/zinc/27/80/16/322278016.db2.gz GIUJXLCDSHFRLA-TXEJJXNPSA-N 1 1 346.774 0.745 20 30 ECEDMO CCS(=O)(=O)C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564856766 322400657 /nfs/dbraw/zinc/40/06/57/322400657.db2.gz OEZGNGNOYJFMMF-NSHDSACASA-N 1 1 345.446 0.140 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC001041744385 782106734 /nfs/dbraw/zinc/10/67/34/782106734.db2.gz BYIDPPOIYOXRSF-GOSISDBHSA-N 1 1 328.416 0.825 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C2)C1 ZINC001041740174 782096537 /nfs/dbraw/zinc/09/65/37/782096537.db2.gz OCDATYNEHMCXRQ-GOSISDBHSA-N 1 1 339.399 0.502 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC001041755539 782134110 /nfs/dbraw/zinc/13/41/10/782134110.db2.gz PSUFGVWENGJVJR-LJQANCHMSA-N 1 1 342.443 0.808 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000329388706 546022483 /nfs/dbraw/zinc/02/24/83/546022483.db2.gz UDQWKUQNPDVEGX-MCIONIFRSA-N 1 1 336.436 0.364 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000329503609 546026161 /nfs/dbraw/zinc/02/61/61/546026161.db2.gz ZBMRXQWNVYYFEG-CVEARBPZSA-N 1 1 325.501 0.856 20 30 ECEDMO Cn1cc(N2CC[C@H](NC(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2=O)cn1 ZINC000329586041 546028014 /nfs/dbraw/zinc/02/80/14/546028014.db2.gz WRKLHTNYIJQBJZ-FZMZJTMJSA-N 1 1 332.408 0.266 20 30 ECEDMO C[C@H](CN1CC[NH+](C)CC1)[NH+]=C([O-])N1CCC[C@H](n2cncn2)C1 ZINC000329809972 546034654 /nfs/dbraw/zinc/03/46/54/546034654.db2.gz QLLIJBSOJWEWRG-CABCVRRESA-N 1 1 335.456 0.465 20 30 ECEDMO C[C@@H](C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)n1cnc(C#N)n1 ZINC000619611613 546348196 /nfs/dbraw/zinc/34/81/96/546348196.db2.gz RWPSYPFOKUQFOO-KBPBESRZSA-N 1 1 332.408 0.424 20 30 ECEDMO C=CCOc1ccccc1C[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000623793185 546841788 /nfs/dbraw/zinc/84/17/88/546841788.db2.gz WHCVTWQDLLQGJC-UHFFFAOYSA-N 1 1 325.434 0.832 20 30 ECEDMO C=C[C@](C)(O)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000667738482 547551478 /nfs/dbraw/zinc/55/14/78/547551478.db2.gz PECRAMIXEHCMPA-SFHVURJKSA-N 1 1 331.416 0.384 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000668342242 547625938 /nfs/dbraw/zinc/62/59/38/547625938.db2.gz GEPLBXPTQRXKBY-KRWDZBQOSA-N 1 1 347.463 0.925 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000668342242 547625942 /nfs/dbraw/zinc/62/59/42/547625942.db2.gz GEPLBXPTQRXKBY-KRWDZBQOSA-N 1 1 347.463 0.925 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000668866631 547772182 /nfs/dbraw/zinc/77/21/82/547772182.db2.gz DSVYWOPDFJRWMX-CYBMUJFWSA-N 1 1 333.436 0.917 20 30 ECEDMO C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639678 548365209 /nfs/dbraw/zinc/36/52/09/548365209.db2.gz DXNXUYZSVJODBM-HNNXBMFYSA-N 1 1 336.480 0.744 20 30 ECEDMO C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639678 548365213 /nfs/dbraw/zinc/36/52/13/548365213.db2.gz DXNXUYZSVJODBM-HNNXBMFYSA-N 1 1 336.480 0.744 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)nc1 ZINC001078030381 782174665 /nfs/dbraw/zinc/17/46/65/782174665.db2.gz WQVLGXRGURWOER-CGTJXYLNSA-N 1 1 343.427 0.655 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC001041778050 782184268 /nfs/dbraw/zinc/18/42/68/782184268.db2.gz SSOSUASYLBEMHG-YOEHRIQHSA-N 1 1 331.420 0.964 20 30 ECEDMO C#CCNC(=O)CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000750835291 579359272 /nfs/dbraw/zinc/35/92/72/579359272.db2.gz LNIMUSHDZOHLGA-UHFFFAOYSA-N 1 1 334.508 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN1C(=O)c2ccccc2C1=O ZINC000754160332 579413836 /nfs/dbraw/zinc/41/38/36/579413836.db2.gz FMASWMKEIFNMNP-INIZCTEOSA-N 1 1 339.395 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN1C(=O)c2ccccc2C1=O ZINC000754160332 579413838 /nfs/dbraw/zinc/41/38/38/579413838.db2.gz FMASWMKEIFNMNP-INIZCTEOSA-N 1 1 339.395 0.839 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000757577359 579462187 /nfs/dbraw/zinc/46/21/87/579462187.db2.gz ZRYYXWAEXQFSJT-GFCCVEGCSA-N 1 1 333.461 0.847 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000757577359 579462189 /nfs/dbraw/zinc/46/21/89/579462189.db2.gz ZRYYXWAEXQFSJT-GFCCVEGCSA-N 1 1 333.461 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000730275444 578304368 /nfs/dbraw/zinc/30/43/68/578304368.db2.gz GNWMQPKOKVRHSS-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000730275444 578304369 /nfs/dbraw/zinc/30/43/69/578304369.db2.gz GNWMQPKOKVRHSS-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000736664332 578444482 /nfs/dbraw/zinc/44/44/82/578444482.db2.gz HFCMCQBXSVXLBS-INIZCTEOSA-N 1 1 332.448 0.642 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000799070260 578656863 /nfs/dbraw/zinc/65/68/63/578656863.db2.gz KTBQPUDRULJDLY-PMPSAXMXSA-N 1 1 335.448 0.210 20 30 ECEDMO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC1(C#N)CC1 ZINC000780850029 578701104 /nfs/dbraw/zinc/70/11/04/578701104.db2.gz XFJNESVAQSWVPN-UHFFFAOYSA-N 1 1 328.482 0.578 20 30 ECEDMO C#CCOCCNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000783937429 578747377 /nfs/dbraw/zinc/74/73/77/578747377.db2.gz NUYVRAHKMVPGRH-MRXNPFEDSA-N 1 1 344.415 0.908 20 30 ECEDMO C#CCOCCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000783937429 578747378 /nfs/dbraw/zinc/74/73/78/578747378.db2.gz NUYVRAHKMVPGRH-MRXNPFEDSA-N 1 1 344.415 0.908 20 30 ECEDMO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000784354993 578750930 /nfs/dbraw/zinc/75/09/30/578750930.db2.gz WSSBTXKDXLWCCL-UHFFFAOYSA-N 1 1 334.376 0.333 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000788563439 578839969 /nfs/dbraw/zinc/83/99/69/578839969.db2.gz PSKSWPYWEBTBFL-GHMZBOCLSA-N 1 1 330.226 0.754 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000789122541 578848607 /nfs/dbraw/zinc/84/86/07/578848607.db2.gz KMNIFSHZIYHVBY-ZBFHGGJFSA-N 1 1 333.436 0.767 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000789122541 578848608 /nfs/dbraw/zinc/84/86/08/578848608.db2.gz KMNIFSHZIYHVBY-ZBFHGGJFSA-N 1 1 333.436 0.767 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN([C@H]3CCC(=O)NC3=O)CC2)cc1 ZINC000765957344 579076758 /nfs/dbraw/zinc/07/67/58/579076758.db2.gz IWXNTEOBUWEGRK-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1ccc(CN2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)CC2)cc1 ZINC000765957344 579076760 /nfs/dbraw/zinc/07/67/60/579076760.db2.gz IWXNTEOBUWEGRK-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1ccc(CN2CCC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)cc1 ZINC000765957344 579076762 /nfs/dbraw/zinc/07/67/62/579076762.db2.gz IWXNTEOBUWEGRK-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000768073737 579121377 /nfs/dbraw/zinc/12/13/77/579121377.db2.gz YAYODGLUVKKTEP-HOTGVXAUSA-N 1 1 329.448 0.911 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000768073737 579121378 /nfs/dbraw/zinc/12/13/78/579121378.db2.gz YAYODGLUVKKTEP-HOTGVXAUSA-N 1 1 329.448 0.911 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000770302174 579164347 /nfs/dbraw/zinc/16/43/47/579164347.db2.gz KDIDPWTZQFIUKQ-CZUORRHYSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000770302174 579164348 /nfs/dbraw/zinc/16/43/48/579164348.db2.gz KDIDPWTZQFIUKQ-CZUORRHYSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000774165448 579241499 /nfs/dbraw/zinc/24/14/99/579241499.db2.gz OHPXUGVIAQNLLN-ILXRZTDVSA-N 1 1 339.461 0.445 20 30 ECEDMO N#Cc1ccc(F)c(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000774471802 579248646 /nfs/dbraw/zinc/24/86/46/579248646.db2.gz QBXOVMAFRJBWRT-UHFFFAOYSA-N 1 1 348.378 0.152 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H]1CCCO1 ZINC000776229965 579278239 /nfs/dbraw/zinc/27/82/39/579278239.db2.gz HVAMSJOVHHHQES-XHSDSOJGSA-N 1 1 348.447 0.115 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000778224960 579307270 /nfs/dbraw/zinc/30/72/70/579307270.db2.gz KLUWYQHIKFWQPB-AWEZNQCLSA-N 1 1 349.456 0.969 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000778224960 579307271 /nfs/dbraw/zinc/30/72/71/579307271.db2.gz KLUWYQHIKFWQPB-AWEZNQCLSA-N 1 1 349.456 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(CC)ns2)CC1 ZINC000742906609 579792835 /nfs/dbraw/zinc/79/28/35/579792835.db2.gz HXUARKVMMDIURS-ZDUSSCGKSA-N 1 1 333.461 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(CC)ns2)CC1 ZINC000742906609 579792836 /nfs/dbraw/zinc/79/28/36/579792836.db2.gz HXUARKVMMDIURS-ZDUSSCGKSA-N 1 1 333.461 0.847 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746355532 579836740 /nfs/dbraw/zinc/83/67/40/579836740.db2.gz IUPCMTOQZOXZHV-CQSZACIVSA-N 1 1 346.435 0.973 20 30 ECEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746377770 579837467 /nfs/dbraw/zinc/83/74/67/579837467.db2.gz NUGJQPZTOQORKG-HZSPNIEDSA-N 1 1 346.435 0.828 20 30 ECEDMO C[N@@H+](CCNC(=O)C(=O)Nc1cnn(CC#N)c1)C1CCCCC1 ZINC000746404947 579838334 /nfs/dbraw/zinc/83/83/34/579838334.db2.gz BMQKDOXDOHYJRO-UHFFFAOYSA-N 1 1 332.408 0.726 20 30 ECEDMO CC#CC[C@@H](CO)[NH2+]Cc1c(I)cnn1C ZINC000895102893 586163002 /nfs/dbraw/zinc/16/30/02/586163002.db2.gz HLQRGVFJJDICSR-VIFPVBQESA-N 1 1 333.173 0.889 20 30 ECEDMO C=CCn1cc(C(=O)OCC2CC[NH+](CC(=O)OCC)CC2)nn1 ZINC000842714376 589033719 /nfs/dbraw/zinc/03/37/19/589033719.db2.gz PULWQIHMBLQVRL-UHFFFAOYSA-N 1 1 336.392 0.896 20 30 ECEDMO Cc1c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cnn1CCC#N ZINC000896212460 586227834 /nfs/dbraw/zinc/22/78/34/586227834.db2.gz JTNQFXWTYXPGDA-HOTGVXAUSA-N 1 1 331.420 0.776 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(C#N)ccn3)CC2)CC1 ZINC000896233168 586230253 /nfs/dbraw/zinc/23/02/53/586230253.db2.gz RNWCHQIUFVMVJV-UHFFFAOYSA-N 1 1 342.403 0.078 20 30 ECEDMO C#C[C@H]1CCCCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896469067 586242298 /nfs/dbraw/zinc/24/22/98/586242298.db2.gz HISDXPGOBYIEKQ-MSOLQXFVSA-N 1 1 348.491 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3ccnn3C)C2)C1 ZINC000896492596 586243805 /nfs/dbraw/zinc/24/38/05/586243805.db2.gz GDUQWCRTJVRIDL-GDBMZVCRSA-N 1 1 331.420 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3ccnn3C)C2)C1 ZINC000896492596 586243806 /nfs/dbraw/zinc/24/38/06/586243806.db2.gz GDUQWCRTJVRIDL-GDBMZVCRSA-N 1 1 331.420 0.601 20 30 ECEDMO CN(C(=O)NCCNC(=O)C1N=CC=CC1=O)[C@H]1CCC[N@@H+](C)C1 ZINC000892943775 586302542 /nfs/dbraw/zinc/30/25/42/586302542.db2.gz ZZIYIQSMPUSNBH-VCHHOEMESA-N 1 1 335.408 0.248 20 30 ECEDMO C[C@@H](CNC(=O)NCC#C[C@H]1CCCCO1)CN1CC[NH+](C)CC1 ZINC000893236632 586318052 /nfs/dbraw/zinc/31/80/52/586318052.db2.gz IJUOWYSZOOGQMV-DLBZAZTESA-N 1 1 336.480 0.742 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)CC2(C#N)CCOCC2)C1 ZINC000898250502 586409300 /nfs/dbraw/zinc/40/93/00/586409300.db2.gz RLRIXSVRNAQVJY-UHFFFAOYSA-N 1 1 339.436 0.502 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)c2ccc(C#N)c(OC)c2)C1 ZINC000898250503 586409435 /nfs/dbraw/zinc/40/94/35/586409435.db2.gz ROFSLBBBGIJWPV-UHFFFAOYSA-N 1 1 347.415 0.986 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000900483180 586635199 /nfs/dbraw/zinc/63/51/99/586635199.db2.gz CGJFTBBTHLUELB-KBXCAEBGSA-N 1 1 346.406 0.801 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC000838623717 586819416 /nfs/dbraw/zinc/81/94/16/586819416.db2.gz IOHOBGYJURDGRX-INIZCTEOSA-N 1 1 346.406 0.963 20 30 ECEDMO N#Cc1ccc(CN2CC[NH+](C[C@@H](O)C[C@]3(O)CCOC3)CC2)cc1 ZINC000905899806 586921016 /nfs/dbraw/zinc/92/10/16/586921016.db2.gz ZCAORKGXFJTTER-RBUKOAKNSA-N 1 1 345.443 0.578 20 30 ECEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905904019 586921145 /nfs/dbraw/zinc/92/11/45/586921145.db2.gz HCNXZXKYPDGDDC-KSSFIOAISA-N 1 1 349.406 0.722 20 30 ECEDMO C[C@H](OC(=O)CCCC[NH+]1CCOCC1)C(=O)N(C)CCC#N ZINC000803512019 587062618 /nfs/dbraw/zinc/06/26/18/587062618.db2.gz KBQLPGGMUWWFKP-AWEZNQCLSA-N 1 1 325.409 0.793 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCNc2ncccc2C#N)[C@@H](C)C1 ZINC000806535038 587100411 /nfs/dbraw/zinc/10/04/11/587100411.db2.gz KWLCAPJYNZRVMJ-KBPBESRZSA-N 1 1 346.435 0.462 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000806780605 587107550 /nfs/dbraw/zinc/10/75/50/587107550.db2.gz PLTLOTHXKVEIPZ-PVEMMZBWSA-N 1 1 349.435 0.686 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnc(OC(C)C)c1 ZINC000815861200 587300546 /nfs/dbraw/zinc/30/05/46/587300546.db2.gz WAFYYMMQDJGIEG-UHFFFAOYSA-N 1 1 332.404 0.879 20 30 ECEDMO C[NH+]1CCN([C@@H](C(=O)N[C@H]2CCN(O)C2=O)c2ccccc2)CC1 ZINC000816695411 587320356 /nfs/dbraw/zinc/32/03/56/587320356.db2.gz BOJGXEFWYVKLOW-LSDHHAIUSA-N 1 1 332.404 0.081 20 30 ECEDMO O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000816756169 587324209 /nfs/dbraw/zinc/32/42/09/587324209.db2.gz RTUGYFOHRJESTQ-GJZGRUSLSA-N 1 1 333.388 0.384 20 30 ECEDMO O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000816756169 587324210 /nfs/dbraw/zinc/32/42/10/587324210.db2.gz RTUGYFOHRJESTQ-GJZGRUSLSA-N 1 1 333.388 0.384 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000817812909 587386481 /nfs/dbraw/zinc/38/64/81/587386481.db2.gz ACQSNIVVQYTPJX-SJORKVTESA-N 1 1 341.411 0.264 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1C#N ZINC000817838645 587388574 /nfs/dbraw/zinc/38/85/74/587388574.db2.gz BCMNGDPEYNVTHS-HNNXBMFYSA-N 1 1 344.415 0.736 20 30 ECEDMO C[NH+]1CCC(C#N)(NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000821622085 587606522 /nfs/dbraw/zinc/60/65/22/587606522.db2.gz RMBSWSIRECSQBI-UHFFFAOYSA-N 1 1 347.329 0.863 20 30 ECEDMO N#CCOc1ccc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000826120737 587994102 /nfs/dbraw/zinc/99/41/02/587994102.db2.gz AYBPLEYXTAQTPO-OAHLLOKOSA-N 1 1 330.388 0.549 20 30 ECEDMO N#CCOc1ccc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000826120737 587994104 /nfs/dbraw/zinc/99/41/04/587994104.db2.gz AYBPLEYXTAQTPO-OAHLLOKOSA-N 1 1 330.388 0.549 20 30 ECEDMO C#Cc1cnc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000827602280 588131042 /nfs/dbraw/zinc/13/10/42/588131042.db2.gz RWPASWYEIJVIRS-UHFFFAOYSA-N 1 1 327.432 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@]1(O)C(=O)Nc2ccccc21 ZINC000829021068 588312382 /nfs/dbraw/zinc/31/23/82/588312382.db2.gz XSIROEIHJCVCOD-MAUKXSAKSA-N 1 1 327.384 0.430 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@]1(O)C(=O)Nc2ccccc21 ZINC000829021068 588312384 /nfs/dbraw/zinc/31/23/84/588312384.db2.gz XSIROEIHJCVCOD-MAUKXSAKSA-N 1 1 327.384 0.430 20 30 ECEDMO C#CCN(C)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1C[C@@H]1CCOC1 ZINC000829898667 588346995 /nfs/dbraw/zinc/34/69/95/588346995.db2.gz KODGOOQUGAWBOO-XHSDSOJGSA-N 1 1 345.447 0.920 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CCCO1 ZINC000848937533 589317094 /nfs/dbraw/zinc/31/70/94/589317094.db2.gz PWUXIOQDFBWDSI-XUWVNRHRSA-N 1 1 333.432 0.417 20 30 ECEDMO C#C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@H]1CCCO1 ZINC000849574769 589341172 /nfs/dbraw/zinc/34/11/72/589341172.db2.gz ABHBBXQHFMGCHA-LTIDMASMSA-N 1 1 330.432 0.752 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000849959319 589354128 /nfs/dbraw/zinc/35/41/28/589354128.db2.gz AFMGGTUCTURNFL-UKRRQHHQSA-N 1 1 339.436 0.553 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000853712051 589556082 /nfs/dbraw/zinc/55/60/82/589556082.db2.gz FMLHCXGSUXZQLU-TZFAWSOVSA-N 1 1 349.435 0.685 20 30 ECEDMO C#C[C@](C)(CC)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000854697888 589600389 /nfs/dbraw/zinc/60/03/89/589600389.db2.gz NCGHWSAZVDABNF-CRAIPNDOSA-N 1 1 335.448 0.618 20 30 ECEDMO N#Cc1ccc([C@@H](O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000856254766 589658246 /nfs/dbraw/zinc/65/82/46/589658246.db2.gz ZEMFLGZZIPCJBF-IAGOWNOFSA-N 1 1 329.400 0.649 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000856328330 589660771 /nfs/dbraw/zinc/66/07/71/589660771.db2.gz LVGSPQGBUIWKNQ-FUHWJXTLSA-N 1 1 329.444 0.957 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000856328330 589660772 /nfs/dbraw/zinc/66/07/72/589660772.db2.gz LVGSPQGBUIWKNQ-FUHWJXTLSA-N 1 1 329.444 0.957 20 30 ECEDMO C#CC[C@H](COC)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000858283960 589737472 /nfs/dbraw/zinc/73/74/72/589737472.db2.gz VKJLBLRRTAHWBQ-HUUCEWRRSA-N 1 1 338.452 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860529106 589779617 /nfs/dbraw/zinc/77/96/17/589779617.db2.gz ABWYBMZXWUANGQ-UONOGXRCSA-N 1 1 330.388 0.414 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccnc(N2CCOCC2)n1 ZINC000860530150 589780140 /nfs/dbraw/zinc/78/01/40/589780140.db2.gz RAMVHMNYJSUAKO-AWEZNQCLSA-N 1 1 330.388 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccnc(N2CCOCC2)n1 ZINC000860530150 589780144 /nfs/dbraw/zinc/78/01/44/589780144.db2.gz RAMVHMNYJSUAKO-AWEZNQCLSA-N 1 1 330.388 0.568 20 30 ECEDMO O=CN1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000859312547 589820259 /nfs/dbraw/zinc/82/02/59/589820259.db2.gz VDYBOWFODHJTAN-UHFFFAOYSA-N 1 1 325.368 0.450 20 30 ECEDMO O=CN1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000859312547 589820261 /nfs/dbraw/zinc/82/02/61/589820261.db2.gz VDYBOWFODHJTAN-UHFFFAOYSA-N 1 1 325.368 0.450 20 30 ECEDMO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000867843184 589852441 /nfs/dbraw/zinc/85/24/41/589852441.db2.gz HVKIJPNUHYQJAJ-QGZVFWFLSA-N 1 1 348.447 0.319 20 30 ECEDMO CN(CC[NH+]1CC2(C1)CCOCC2)S(=O)(=O)c1ccc(C#N)o1 ZINC000867859576 589854717 /nfs/dbraw/zinc/85/47/17/589854717.db2.gz OHVSRXFGBCAKTH-UHFFFAOYSA-N 1 1 339.417 0.884 20 30 ECEDMO CCS(=O)(=O)C1(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000867985952 589866686 /nfs/dbraw/zinc/86/66/86/589866686.db2.gz SDLRBJYSVVWZLQ-OAHLLOKOSA-N 1 1 347.440 0.829 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC000868946548 589936666 /nfs/dbraw/zinc/93/66/66/589936666.db2.gz ILCCUDGSNFHSBN-INIZCTEOSA-N 1 1 348.447 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC000868946548 589936667 /nfs/dbraw/zinc/93/66/67/589936667.db2.gz ILCCUDGSNFHSBN-INIZCTEOSA-N 1 1 348.447 0.117 20 30 ECEDMO C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1 ZINC000870094816 590000273 /nfs/dbraw/zinc/00/02/73/590000273.db2.gz YHHBGYMKZOBZPL-MRXNPFEDSA-N 1 1 341.459 0.843 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCCC3(CC3)CC2)c1=O ZINC000863330677 590004982 /nfs/dbraw/zinc/00/49/82/590004982.db2.gz QLXPCCREBWSUIN-UHFFFAOYSA-N 1 1 346.431 0.767 20 30 ECEDMO N#CCc1ccsc1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000870941273 590040925 /nfs/dbraw/zinc/04/09/25/590040925.db2.gz SVDSGHVORJOQAA-ZDUSSCGKSA-N 1 1 332.429 0.851 20 30 ECEDMO C#CC[NH+]1CCC(c2nc(-c3c(C)n(C)c(=O)[nH]c3=O)no2)CC1 ZINC000872015876 590097220 /nfs/dbraw/zinc/09/72/20/590097220.db2.gz AVPKPBJICWPISW-UHFFFAOYSA-N 1 1 329.360 0.657 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000872492666 590121319 /nfs/dbraw/zinc/12/13/19/590121319.db2.gz IIHTUSGDFAIGHY-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000872492666 590121320 /nfs/dbraw/zinc/12/13/20/590121320.db2.gz IIHTUSGDFAIGHY-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO C=C(Cl)C[C@@H]1NC(=O)N(C[C@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000865299847 590138178 /nfs/dbraw/zinc/13/81/78/590138178.db2.gz RJVOJFJOYIRMEM-YPMHNXCESA-N 1 1 328.844 0.933 20 30 ECEDMO C#CCC[NH+]1CCN(c2cc(C)cc(F)c2S(N)(=O)=O)CC1 ZINC000865505844 590147894 /nfs/dbraw/zinc/14/78/94/590147894.db2.gz SUWRJYQEWJFNCU-UHFFFAOYSA-N 1 1 325.409 0.927 20 30 ECEDMO CC[N@H+]1CCC[C@H](CNC(=O)C(=NOC)c2csc(N)n2)C1 ZINC000874248592 590228024 /nfs/dbraw/zinc/22/80/24/590228024.db2.gz BCALGVIYUWBKQR-SNVBAGLBSA-N 1 1 325.438 0.924 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000875061156 590266766 /nfs/dbraw/zinc/26/67/66/590266766.db2.gz KVQBHERLOADABY-OAHLLOKOSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000875061155 590266894 /nfs/dbraw/zinc/26/68/94/590266894.db2.gz KVQBHERLOADABY-HNNXBMFYSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000875374441 590297183 /nfs/dbraw/zinc/29/71/83/590297183.db2.gz JPNGTJZCIKKGAG-GOEBONIOSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000875599835 590312907 /nfs/dbraw/zinc/31/29/07/590312907.db2.gz MPILZTCADRGCGY-OWCLPIDISA-N 1 1 337.464 0.910 20 30 ECEDMO COC(=O)C1=NO[C@]2(CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000879484451 590315108 /nfs/dbraw/zinc/31/51/08/590315108.db2.gz XCARUOHUDHHAGL-NVXWUHKLSA-N 1 1 329.356 0.985 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000875716260 590324545 /nfs/dbraw/zinc/32/45/45/590324545.db2.gz UFSPOYIEQHGTPF-KRWDZBQOSA-N 1 1 345.443 0.956 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000875716260 590324548 /nfs/dbraw/zinc/32/45/48/590324548.db2.gz UFSPOYIEQHGTPF-KRWDZBQOSA-N 1 1 345.443 0.956 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3C[C@H](CO)[C@H](CO)C3)C2=O)cc1 ZINC000879696584 590335787 /nfs/dbraw/zinc/33/57/87/590335787.db2.gz RGAAQSJHQRBQQX-HLLBOEOZSA-N 1 1 329.400 0.586 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000880479101 590394982 /nfs/dbraw/zinc/39/49/82/590394982.db2.gz PZPHEDHOQJZZMR-UHFFFAOYSA-N 1 1 349.475 0.746 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876751217 590408533 /nfs/dbraw/zinc/40/85/33/590408533.db2.gz MPAOQWIZLPJWCZ-WMZOPIPTSA-N 1 1 342.443 0.972 20 30 ECEDMO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000876781911 590414313 /nfs/dbraw/zinc/41/43/13/590414313.db2.gz RKCOYRNCSKMHAG-AWEZNQCLSA-N 1 1 337.855 0.920 20 30 ECEDMO C[NH+](C)C[C@H](N)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000876951504 590429235 /nfs/dbraw/zinc/42/92/35/590429235.db2.gz NNIHMRBVGDGFED-KRWDZBQOSA-N 1 1 329.448 0.528 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000878008740 590492142 /nfs/dbraw/zinc/49/21/42/590492142.db2.gz HTKHKZSDSBXJDO-UHFFFAOYSA-N 1 1 325.376 0.430 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000878008740 590492143 /nfs/dbraw/zinc/49/21/43/590492143.db2.gz HTKHKZSDSBXJDO-UHFFFAOYSA-N 1 1 325.376 0.430 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000878315211 590515476 /nfs/dbraw/zinc/51/54/76/590515476.db2.gz JCUCJTDEGAYJLC-AWEZNQCLSA-N 1 1 329.466 0.277 20 30 ECEDMO N#CCCNC(=O)C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000878872955 590548559 /nfs/dbraw/zinc/54/85/59/590548559.db2.gz LFAIGVBLJJNMIE-AWEZNQCLSA-N 1 1 326.466 0.156 20 30 ECEDMO N#CCCNC(=O)C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000878872955 590548561 /nfs/dbraw/zinc/54/85/61/590548561.db2.gz LFAIGVBLJJNMIE-AWEZNQCLSA-N 1 1 326.466 0.156 20 30 ECEDMO Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)n1C ZINC000879191178 590569387 /nfs/dbraw/zinc/56/93/87/590569387.db2.gz KONBBYLHMGYDKD-MRXNPFEDSA-N 1 1 326.404 0.851 20 30 ECEDMO C#CCC1(O)CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000883417338 590616908 /nfs/dbraw/zinc/61/69/08/590616908.db2.gz XNLQSUXASXLSSG-INIZCTEOSA-N 1 1 348.491 0.715 20 30 ECEDMO C#CCC1(O)CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000883417338 590616909 /nfs/dbraw/zinc/61/69/09/590616909.db2.gz XNLQSUXASXLSSG-INIZCTEOSA-N 1 1 348.491 0.715 20 30 ECEDMO C#C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000883623587 590633434 /nfs/dbraw/zinc/63/34/34/590633434.db2.gz ACRCHESSISITHR-IAGOWNOFSA-N 1 1 336.480 0.740 20 30 ECEDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885318475 590716045 /nfs/dbraw/zinc/71/60/45/590716045.db2.gz OYDUYNAKKLEGAH-BHPKHCPMSA-N 1 1 325.434 0.256 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC2CCN(C(=O)C3CC3)CC2)C1 ZINC000884047328 590717732 /nfs/dbraw/zinc/71/77/32/590717732.db2.gz ORSNYEJQBGNSDK-INIZCTEOSA-N 1 1 332.448 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CCN(C(=O)C3CC3)CC2)C1 ZINC000884047328 590717738 /nfs/dbraw/zinc/71/77/38/590717738.db2.gz ORSNYEJQBGNSDK-INIZCTEOSA-N 1 1 332.448 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C(=O)NCc2ccco2)C1 ZINC000884111985 590743248 /nfs/dbraw/zinc/74/32/48/590743248.db2.gz YMWFCOCWWKOBKP-UONOGXRCSA-N 1 1 332.404 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C(=O)NCc2ccco2)C1 ZINC000884111985 590743251 /nfs/dbraw/zinc/74/32/51/590743251.db2.gz YMWFCOCWWKOBKP-UONOGXRCSA-N 1 1 332.404 0.681 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000884163236 590759380 /nfs/dbraw/zinc/75/93/80/590759380.db2.gz ASEANNLIDCOLEQ-NEPJUHHUSA-N 1 1 346.353 0.546 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000884163236 590759383 /nfs/dbraw/zinc/75/93/83/590759383.db2.gz ASEANNLIDCOLEQ-NEPJUHHUSA-N 1 1 346.353 0.546 20 30 ECEDMO N#CC1(C[C@@H](O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)CCC1 ZINC000885933396 590781627 /nfs/dbraw/zinc/78/16/27/590781627.db2.gz SIKIIZAZHROGFE-MRXNPFEDSA-N 1 1 334.464 0.671 20 30 ECEDMO CCCCNC(=O)CN1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885932941 590781861 /nfs/dbraw/zinc/78/18/61/590781861.db2.gz FLRZMZIHEKGJRT-INIZCTEOSA-N 1 1 336.480 0.965 20 30 ECEDMO N#C[C@]12CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@@H]1CS(=O)(=O)C2 ZINC000886211961 590815904 /nfs/dbraw/zinc/81/59/04/590815904.db2.gz DGHIALIKMOBGHZ-HGTKMLMNSA-N 1 1 337.445 0.400 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC000886351924 590833092 /nfs/dbraw/zinc/83/30/92/590833092.db2.gz QOOOXXLHRNOBDW-CYBMUJFWSA-N 1 1 325.409 0.040 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC000886351924 590833093 /nfs/dbraw/zinc/83/30/93/590833093.db2.gz QOOOXXLHRNOBDW-CYBMUJFWSA-N 1 1 325.409 0.040 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000886360426 590835356 /nfs/dbraw/zinc/83/53/56/590835356.db2.gz WAVSVBHJCKVVAV-OAHLLOKOSA-N 1 1 343.493 0.508 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ncccn3)C2)CC1 ZINC000886680386 590870396 /nfs/dbraw/zinc/87/03/96/590870396.db2.gz CQGVBIHBWXAJLD-INIZCTEOSA-N 1 1 327.432 0.433 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](c3ncccn3)C2)CC1 ZINC000886680386 590870398 /nfs/dbraw/zinc/87/03/98/590870398.db2.gz CQGVBIHBWXAJLD-INIZCTEOSA-N 1 1 327.432 0.433 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC000887048869 590930832 /nfs/dbraw/zinc/93/08/32/590930832.db2.gz ZZZCDWIJXQRONW-LAQFHYBYSA-N 1 1 347.419 0.246 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC000887048869 590930837 /nfs/dbraw/zinc/93/08/37/590930837.db2.gz ZZZCDWIJXQRONW-LAQFHYBYSA-N 1 1 347.419 0.246 20 30 ECEDMO Cc1c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cnn1CCC#N ZINC000889775273 591092261 /nfs/dbraw/zinc/09/22/61/591092261.db2.gz VCQGUBPZPSALJS-CVEARBPZSA-N 1 1 331.420 0.776 20 30 ECEDMO C#CC1(F)CN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890129416 591134216 /nfs/dbraw/zinc/13/42/16/591134216.db2.gz PGQWCDXMSOKNLB-HNNXBMFYSA-N 1 1 338.427 0.150 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000890372232 591154367 /nfs/dbraw/zinc/15/43/67/591154367.db2.gz HNIRBHHRXIICPX-KRWDZBQOSA-N 1 1 344.463 0.345 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000890372232 591154370 /nfs/dbraw/zinc/15/43/70/591154370.db2.gz HNIRBHHRXIICPX-KRWDZBQOSA-N 1 1 344.463 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000890377296 591156011 /nfs/dbraw/zinc/15/60/11/591156011.db2.gz IISXTTYVWKYHSG-CQSZACIVSA-N 1 1 325.376 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000890377296 591156015 /nfs/dbraw/zinc/15/60/15/591156015.db2.gz IISXTTYVWKYHSG-CQSZACIVSA-N 1 1 325.376 0.881 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](O)COc2ccccc2)C1 ZINC000890377025 591156048 /nfs/dbraw/zinc/15/60/48/591156048.db2.gz FVPZAUBURKPRDV-CVEARBPZSA-N 1 1 331.416 0.823 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](O)COc2ccccc2)C1 ZINC000890377025 591156052 /nfs/dbraw/zinc/15/60/52/591156052.db2.gz FVPZAUBURKPRDV-CVEARBPZSA-N 1 1 331.416 0.823 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000946679431 611409694 /nfs/dbraw/zinc/40/96/94/611409694.db2.gz YUCYOELEGGEVDY-AWEZNQCLSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000946679431 611409697 /nfs/dbraw/zinc/40/96/97/611409697.db2.gz YUCYOELEGGEVDY-AWEZNQCLSA-N 1 1 329.404 0.228 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)CC[C@@H]2C1 ZINC000946697846 611421685 /nfs/dbraw/zinc/42/16/85/611421685.db2.gz YXZMEFVWDFJQCE-GASCZTMLSA-N 1 1 333.436 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2c(OC)ncnc2N(C)C)C1 ZINC000930414697 611421882 /nfs/dbraw/zinc/42/18/82/611421882.db2.gz NWLVEFYSOZQHJZ-GFCCVEGCSA-N 1 1 332.408 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2c(OC)ncnc2N(C)C)C1 ZINC000930414697 611421883 /nfs/dbraw/zinc/42/18/83/611421883.db2.gz NWLVEFYSOZQHJZ-GFCCVEGCSA-N 1 1 332.408 0.770 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C(N)=O)CC[C@@H]3C2)cc1F ZINC000946747658 611449682 /nfs/dbraw/zinc/44/96/82/611449682.db2.gz SGIOKTQHURDXJG-GASCZTMLSA-N 1 1 344.390 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC000948187311 611462311 /nfs/dbraw/zinc/46/23/11/611462311.db2.gz WHZKRMDJRGPMTM-DLBZAZTESA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC000948187311 611462313 /nfs/dbraw/zinc/46/23/13/611462313.db2.gz WHZKRMDJRGPMTM-DLBZAZTESA-N 1 1 349.475 0.862 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC[N@H+]1C ZINC000925332742 611471049 /nfs/dbraw/zinc/47/10/49/611471049.db2.gz WXBFAMFDDBNSQP-MCIONIFRSA-N 1 1 343.435 0.661 20 30 ECEDMO C[C@@H](O)[C@@H](O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000930993085 611494336 /nfs/dbraw/zinc/49/43/36/611494336.db2.gz GUAKSQSBFAQNJB-DYVFJYSZSA-N 1 1 341.415 0.812 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000948277947 611499077 /nfs/dbraw/zinc/49/90/77/611499077.db2.gz NZBJEZABXISZEY-OCCSQVGLSA-N 1 1 331.420 0.947 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931053274 611501916 /nfs/dbraw/zinc/50/19/16/611501916.db2.gz UATBDDUGGPZZAK-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C[C@H]1C ZINC000947394460 611513087 /nfs/dbraw/zinc/51/30/87/611513087.db2.gz CLQQTDJOGSFVSU-OLZOCXBDSA-N 1 1 329.828 0.567 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C[C@H]1C ZINC000947394460 611513089 /nfs/dbraw/zinc/51/30/89/611513089.db2.gz CLQQTDJOGSFVSU-OLZOCXBDSA-N 1 1 329.828 0.567 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C[C@@H]1C ZINC000947394461 611513415 /nfs/dbraw/zinc/51/34/15/611513415.db2.gz CLQQTDJOGSFVSU-QWHCGFSZSA-N 1 1 329.828 0.567 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C[C@@H]1C ZINC000947394461 611513417 /nfs/dbraw/zinc/51/34/17/611513417.db2.gz CLQQTDJOGSFVSU-QWHCGFSZSA-N 1 1 329.828 0.567 20 30 ECEDMO N#CC1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCSCC1 ZINC000931582734 611551392 /nfs/dbraw/zinc/55/13/92/611551392.db2.gz AHFDXOZQIMYABL-ZDUSSCGKSA-N 1 1 338.477 0.727 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C ZINC000947479464 611553737 /nfs/dbraw/zinc/55/37/37/611553737.db2.gz NAIHWBRXGQMTJI-KGLIPLIRSA-N 1 1 342.403 0.926 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000948381973 611557601 /nfs/dbraw/zinc/55/76/01/611557601.db2.gz VQIRNYYBPZRCSN-CYBMUJFWSA-N 1 1 334.424 0.266 20 30 ECEDMO C#CC[C@@H]1CC[N@@H+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC000931714259 611566504 /nfs/dbraw/zinc/56/65/04/611566504.db2.gz DNXPKXNNVJSZIU-GFCCVEGCSA-N 1 1 333.354 0.811 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC000931714259 611566506 /nfs/dbraw/zinc/56/65/06/611566506.db2.gz DNXPKXNNVJSZIU-GFCCVEGCSA-N 1 1 333.354 0.811 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948416770 611582951 /nfs/dbraw/zinc/58/29/51/611582951.db2.gz OYMNJHOPKQGJEZ-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948417033 611582988 /nfs/dbraw/zinc/58/29/88/611582988.db2.gz VMCOMRAWSQWJGV-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948416705 611583215 /nfs/dbraw/zinc/58/32/15/611583215.db2.gz MNUOTTXFZVMNLL-JKSUJKDBSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)C[C@H]1C ZINC000947561309 611596229 /nfs/dbraw/zinc/59/62/29/611596229.db2.gz YXJJKSPURXZCBL-TZMCWYRMSA-N 1 1 326.404 0.969 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000948476849 611614326 /nfs/dbraw/zinc/61/43/26/611614326.db2.gz DPYQDSAENRGDTG-BMFZPTHFSA-N 1 1 335.448 0.636 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@@H]3C(=O)OC)CC2)C1 ZINC000949317467 608631630 /nfs/dbraw/zinc/63/16/30/608631630.db2.gz NQNCWGLCIGJDMM-GJZGRUSLSA-N 1 1 334.416 0.512 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@@H]3C(=O)OC)CC2)C1 ZINC000949317467 608631633 /nfs/dbraw/zinc/63/16/33/608631633.db2.gz NQNCWGLCIGJDMM-GJZGRUSLSA-N 1 1 334.416 0.512 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C[C@H]1C ZINC000947383006 608632666 /nfs/dbraw/zinc/63/26/66/608632666.db2.gz JYLDREIQUSAGRV-NEPJUHHUSA-N 1 1 327.388 0.890 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC000949348662 608647910 /nfs/dbraw/zinc/64/79/10/608647910.db2.gz IQIVYGCGBIJGIX-CQSZACIVSA-N 1 1 337.420 0.754 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 ZINC000949388468 608664540 /nfs/dbraw/zinc/66/45/40/608664540.db2.gz AOBREKJRYNRCQQ-HNNXBMFYSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC000949433389 608677471 /nfs/dbraw/zinc/67/74/71/608677471.db2.gz RLCLWTYLEQTNSJ-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949520562 608735374 /nfs/dbraw/zinc/73/53/74/608735374.db2.gz ZCKGXKLISCKAIF-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949520562 608735380 /nfs/dbraw/zinc/73/53/80/608735380.db2.gz ZCKGXKLISCKAIF-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(OC)CS(=O)(=O)C1)C(C)C ZINC000932706930 611658080 /nfs/dbraw/zinc/65/80/80/611658080.db2.gz FYUPESPTDPZNSQ-CQSZACIVSA-N 1 1 344.477 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cc2cnoc2)CC1 ZINC000947228786 608780606 /nfs/dbraw/zinc/78/06/06/608780606.db2.gz ZFIGWYHASOTITF-INIZCTEOSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cc2cnoc2)CC1 ZINC000947228786 608780610 /nfs/dbraw/zinc/78/06/10/608780610.db2.gz ZFIGWYHASOTITF-INIZCTEOSA-N 1 1 344.415 0.422 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H](C)C2)c1 ZINC000947711436 611663202 /nfs/dbraw/zinc/66/32/02/611663202.db2.gz WFSVDILTHQIMGW-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCOCC2)C1 ZINC000937522693 608861883 /nfs/dbraw/zinc/86/18/83/608861883.db2.gz UBRYTHUBAYLZQR-HOTGVXAUSA-N 1 1 347.459 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000936605825 608865162 /nfs/dbraw/zinc/86/51/62/608865162.db2.gz VWGLHYZMPFVNOM-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000936605825 608865163 /nfs/dbraw/zinc/86/51/63/608865163.db2.gz VWGLHYZMPFVNOM-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C)n1 ZINC000936612888 608875767 /nfs/dbraw/zinc/87/57/67/608875767.db2.gz WOBIAXAWRQMGAE-DZKIICNBSA-N 1 1 341.415 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C)n1 ZINC000936612888 608875771 /nfs/dbraw/zinc/87/57/71/608875771.db2.gz WOBIAXAWRQMGAE-DZKIICNBSA-N 1 1 341.415 0.241 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C[C@@H]1C ZINC000947711227 608930501 /nfs/dbraw/zinc/93/05/01/608930501.db2.gz UDHGCKKUUHBDRI-QWRGUYRKSA-N 1 1 341.437 0.216 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937181376 609020611 /nfs/dbraw/zinc/02/06/11/609020611.db2.gz LUGZCGYTEPWVGT-AWEZNQCLSA-N 1 1 340.387 0.764 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937197131 609033718 /nfs/dbraw/zinc/03/37/18/609033718.db2.gz ARMUAHBKMSVRIU-IUODEOHRSA-N 1 1 329.404 0.511 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937209588 609044069 /nfs/dbraw/zinc/04/40/69/609044069.db2.gz VDZGUJWSEMMKSD-HNNXBMFYSA-N 1 1 340.387 0.764 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000947761923 611680656 /nfs/dbraw/zinc/68/06/56/611680656.db2.gz SHTVWKRDTOJYPZ-CHWSQXEVSA-N 1 1 334.420 0.243 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC2CCOCC2)C1 ZINC000937764377 609074663 /nfs/dbraw/zinc/07/46/63/609074663.db2.gz VHZLOXHNKXSIDR-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC2CCOCC2)C1 ZINC000937764377 609074667 /nfs/dbraw/zinc/07/46/67/609074667.db2.gz VHZLOXHNKXSIDR-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC000937838374 609114294 /nfs/dbraw/zinc/11/42/94/609114294.db2.gz DKCDZOBUGYFXEX-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC000937838374 609114296 /nfs/dbraw/zinc/11/42/96/609114296.db2.gz DKCDZOBUGYFXEX-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937840721 609115446 /nfs/dbraw/zinc/11/54/46/609115446.db2.gz BTAVARWBPPHBMB-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000937852932 609116342 /nfs/dbraw/zinc/11/63/42/609116342.db2.gz ZFVGDVOYVKXNGT-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000928453350 611690567 /nfs/dbraw/zinc/69/05/67/611690567.db2.gz JXOFXRPDNUCQEA-SWLSCSKDSA-N 1 1 337.445 0.973 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)[C@H](C)C2)nn1 ZINC000947791253 611691943 /nfs/dbraw/zinc/69/19/43/611691943.db2.gz AFMNVKZTHDXQCW-CABCVRRESA-N 1 1 343.435 0.944 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H](C)C2)nn1 ZINC000947792325 611692291 /nfs/dbraw/zinc/69/22/91/611692291.db2.gz KXHNURHIUZHLHM-KBPBESRZSA-N 1 1 344.423 0.339 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC000937924543 609392441 /nfs/dbraw/zinc/39/24/41/609392441.db2.gz RRVOAWAJGOGETJ-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC000937924543 609392443 /nfs/dbraw/zinc/39/24/43/609392443.db2.gz RRVOAWAJGOGETJ-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(CF)CCC2)C1 ZINC000938170734 609482316 /nfs/dbraw/zinc/48/23/16/609482316.db2.gz MVFHPDIXHJSDTM-GJZGRUSLSA-N 1 1 335.423 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(CF)CCC2)C1 ZINC000938170734 609482318 /nfs/dbraw/zinc/48/23/18/609482318.db2.gz MVFHPDIXHJSDTM-GJZGRUSLSA-N 1 1 335.423 0.941 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000938170529 609482721 /nfs/dbraw/zinc/48/27/21/609482721.db2.gz JKAJGBGJACPTFY-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)SC)C1 ZINC000938171195 609483242 /nfs/dbraw/zinc/48/32/42/609483242.db2.gz YIKWKLXAGPRAPS-KKUMJFAQSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)SC)C1 ZINC000938171195 609483243 /nfs/dbraw/zinc/48/32/43/609483243.db2.gz YIKWKLXAGPRAPS-KKUMJFAQSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c(C)noc2C)C1 ZINC000938171976 609485261 /nfs/dbraw/zinc/48/52/61/609485261.db2.gz OLULSFPPBSEKBM-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c(C)noc2C)C1 ZINC000938171976 609485264 /nfs/dbraw/zinc/48/52/64/609485264.db2.gz OLULSFPPBSEKBM-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000938172677 609485721 /nfs/dbraw/zinc/48/57/21/609485721.db2.gz DUEIJLCLAZGPPI-ZFWWWQNUSA-N 1 1 332.379 0.582 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000938172677 609485724 /nfs/dbraw/zinc/48/57/24/609485724.db2.gz DUEIJLCLAZGPPI-ZFWWWQNUSA-N 1 1 332.379 0.582 20 30 ECEDMO CN1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@H+](C)CC1 ZINC000907790057 609622220 /nfs/dbraw/zinc/62/22/20/609622220.db2.gz VELQMTMRXBOZHZ-UHFFFAOYSA-N 1 1 328.482 0.579 20 30 ECEDMO CN1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@@H+](C)CC1 ZINC000907790057 609622222 /nfs/dbraw/zinc/62/22/22/609622222.db2.gz VELQMTMRXBOZHZ-UHFFFAOYSA-N 1 1 328.482 0.579 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000908014327 609637238 /nfs/dbraw/zinc/63/72/38/609637238.db2.gz HXPPNPQJTRNUFX-IAGOWNOFSA-N 1 1 349.456 0.972 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000908014327 609637240 /nfs/dbraw/zinc/63/72/40/609637240.db2.gz HXPPNPQJTRNUFX-IAGOWNOFSA-N 1 1 349.456 0.972 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccn1CCN1CCOCC1 ZINC000908436257 609653672 /nfs/dbraw/zinc/65/36/72/609653672.db2.gz MKEGQLJBUOPUAB-UHFFFAOYSA-N 1 1 332.448 0.505 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Cc1c(Br)cnn1C ZINC000908435864 609653774 /nfs/dbraw/zinc/65/37/74/609653774.db2.gz BSRPEKXQPUEYTL-UHFFFAOYSA-N 1 1 327.226 0.796 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000920012008 609669941 /nfs/dbraw/zinc/66/99/41/609669941.db2.gz ZFAJBCHINFTJNE-HIFRSBDPSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000920012008 609669943 /nfs/dbraw/zinc/66/99/43/609669943.db2.gz ZFAJBCHINFTJNE-HIFRSBDPSA-N 1 1 336.461 0.779 20 30 ECEDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CCCC#N)C2 ZINC000920282597 609677884 /nfs/dbraw/zinc/67/78/84/609677884.db2.gz RUPMIVYYPOBLAL-APIJFGDWSA-N 1 1 329.466 0.689 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)c2cccc(N3CCN(C)CC3)n2)CC1 ZINC000928654662 611707210 /nfs/dbraw/zinc/70/72/10/611707210.db2.gz LRWOQMKGUVJTGO-UHFFFAOYSA-N 1 1 341.459 0.661 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC000947324818 609707741 /nfs/dbraw/zinc/70/77/41/609707741.db2.gz VVWXZXZWDRHOIA-CHWSQXEVSA-N 1 1 334.424 0.312 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cccc3c2OCCO3)CC1 ZINC000921439313 609716630 /nfs/dbraw/zinc/71/66/30/609716630.db2.gz XSYRKYLNMJILCZ-UHFFFAOYSA-N 1 1 336.413 0.834 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)Cc2cc(OC)ns2)CC1 ZINC000921437056 609716683 /nfs/dbraw/zinc/71/66/83/609716683.db2.gz LBXMFEHOJPBUFP-UHFFFAOYSA-N 1 1 329.447 0.669 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1 ZINC000921440170 609717110 /nfs/dbraw/zinc/71/71/10/609717110.db2.gz SUYIYRSONVSHLX-UHFFFAOYSA-N 1 1 347.444 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000923594799 609754120 /nfs/dbraw/zinc/75/41/20/609754120.db2.gz MVAUFOLECSGHOQ-OAGGEKHMSA-N 1 1 345.443 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000923594799 609754121 /nfs/dbraw/zinc/75/41/21/609754121.db2.gz MVAUFOLECSGHOQ-OAGGEKHMSA-N 1 1 345.443 0.766 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC000925336407 609756941 /nfs/dbraw/zinc/75/69/41/609756941.db2.gz DFNCWOWBWOBWFK-ZBFHGGJFSA-N 1 1 333.436 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)nc1 ZINC000938291072 609757664 /nfs/dbraw/zinc/75/76/64/609757664.db2.gz MEBLUBDRXDZVLW-HNNXBMFYSA-N 1 1 337.383 0.599 20 30 ECEDMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000910864144 609770132 /nfs/dbraw/zinc/77/01/32/609770132.db2.gz YZPWRFGEQUOMAR-UHFFFAOYSA-N 1 1 334.424 0.091 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000948110441 609813335 /nfs/dbraw/zinc/81/33/35/609813335.db2.gz YYUUHRVLTOXMOT-DZGCQCFKSA-N 1 1 336.436 0.362 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000948110441 609813336 /nfs/dbraw/zinc/81/33/36/609813336.db2.gz YYUUHRVLTOXMOT-DZGCQCFKSA-N 1 1 336.436 0.362 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cs1 ZINC000914017125 609844048 /nfs/dbraw/zinc/84/40/48/609844048.db2.gz PWGSBQKMBIBYHQ-QWHCGFSZSA-N 1 1 341.458 0.902 20 30 ECEDMO CC[N@@H+]1[C@H](C)CN(C(=O)CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC000912024073 609927343 /nfs/dbraw/zinc/92/73/43/609927343.db2.gz LPFCTEDKXVICIR-MVOHADHWSA-N 1 1 334.420 0.844 20 30 ECEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000916362504 609938219 /nfs/dbraw/zinc/93/82/19/609938219.db2.gz SLZNBTNJSSLQMW-GZBFAFLISA-N 1 1 342.465 0.296 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)COc3ccccc32)C1 ZINC000923598309 609942909 /nfs/dbraw/zinc/94/29/09/609942909.db2.gz UUNTWLOMHKKNFL-CQSZACIVSA-N 1 1 327.384 0.626 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)COc3ccccc32)C1 ZINC000923598309 609942910 /nfs/dbraw/zinc/94/29/10/609942910.db2.gz UUNTWLOMHKKNFL-CQSZACIVSA-N 1 1 327.384 0.626 20 30 ECEDMO C#CC[NH2+]CC(=O)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1 ZINC000912349645 609948132 /nfs/dbraw/zinc/94/81/32/609948132.db2.gz BYSBVACTIMCCFF-UHFFFAOYSA-N 1 1 331.372 0.514 20 30 ECEDMO C[C@@H](CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)[N@@H+](C)C1CC1 ZINC000916858370 609951432 /nfs/dbraw/zinc/95/14/32/609951432.db2.gz QSRUXAFDOYVFFK-ZOWXZIJZSA-N 1 1 340.449 0.049 20 30 ECEDMO C[C@H](CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[N@@H+](C)C1CC1 ZINC000916858368 609951727 /nfs/dbraw/zinc/95/17/27/609951727.db2.gz QSRUXAFDOYVFFK-LALPHHSUSA-N 1 1 340.449 0.049 20 30 ECEDMO O=C(c1cccc(C#CCO)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000912534120 609966272 /nfs/dbraw/zinc/96/62/72/609966272.db2.gz AQIPDILUXFUKFN-UHFFFAOYSA-N 1 1 328.412 0.967 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000938754883 609973101 /nfs/dbraw/zinc/97/31/01/609973101.db2.gz PXQFXPUBWGCZAS-ZACQAIPSSA-N 1 1 346.475 0.238 20 30 ECEDMO C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H](CO)C1 ZINC000912736671 609994370 /nfs/dbraw/zinc/99/43/70/609994370.db2.gz AMULUIDCXLGGFB-HUUCEWRRSA-N 1 1 346.406 0.659 20 30 ECEDMO C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H](CO)C1 ZINC000912736671 609994373 /nfs/dbraw/zinc/99/43/73/609994373.db2.gz AMULUIDCXLGGFB-HUUCEWRRSA-N 1 1 346.406 0.659 20 30 ECEDMO C[C@H]1CN(C(=O)NCC[NH+]2CCSCC2)C[C@H](C)N1CC#N ZINC000918227792 609999432 /nfs/dbraw/zinc/99/94/32/609999432.db2.gz KJXLYPFPHFDYDM-KBPBESRZSA-N 1 1 325.482 0.663 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCCc1[nH]nc(N)c1C#N ZINC000918722415 610017039 /nfs/dbraw/zinc/01/70/39/610017039.db2.gz XVSYPMWERANRCV-LLVKDONJSA-N 1 1 335.481 0.745 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cn2ccccc2n1 ZINC000918709792 610017246 /nfs/dbraw/zinc/01/72/46/610017246.db2.gz WMFRFAFXXPOSPN-UHFFFAOYSA-N 1 1 346.460 0.855 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCCN3C)C2)CC1 ZINC000939751210 610114876 /nfs/dbraw/zinc/11/48/76/610114876.db2.gz MLAJVGQMBWDRPZ-IAGOWNOFSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(F)nc2)C1 ZINC000939758958 610124301 /nfs/dbraw/zinc/12/43/01/610124301.db2.gz ZXELEQRMNWVXJB-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(F)nc2)C1 ZINC000939758958 610124303 /nfs/dbraw/zinc/12/43/03/610124303.db2.gz ZXELEQRMNWVXJB-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nnc(C)[nH]3)C2)nn1 ZINC000939292514 610149190 /nfs/dbraw/zinc/14/91/90/610149190.db2.gz LLQAKIVDFYKHER-YPMHNXCESA-N 1 1 344.423 0.531 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000939933792 610170737 /nfs/dbraw/zinc/17/07/37/610170737.db2.gz BHRSAYQLFPSBHM-MRVWCRGKSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000940098892 610207984 /nfs/dbraw/zinc/20/79/84/610207984.db2.gz MGZKDUMUKPONAJ-UXIGCNINSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cn(C(C)(C)C)nn3)CC2)C1 ZINC000941431875 610312391 /nfs/dbraw/zinc/31/23/91/610312391.db2.gz VYWVOXMNZMDGAJ-UHFFFAOYSA-N 1 1 332.452 0.661 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941437183 610315081 /nfs/dbraw/zinc/31/50/81/610315081.db2.gz VFLDBOANTOEKLO-QGZVFWFLSA-N 1 1 341.459 0.612 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N[C@@H](CC)C3)CC2)C1 ZINC000941499112 610344026 /nfs/dbraw/zinc/34/40/26/610344026.db2.gz NKZBZADHPNSSIK-CVEARBPZSA-N 1 1 348.491 0.696 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000940785541 610361203 /nfs/dbraw/zinc/36/12/03/610361203.db2.gz NOIOKFFDNFVCJV-AWEZNQCLSA-N 1 1 341.477 0.262 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941567279 610376891 /nfs/dbraw/zinc/37/68/91/610376891.db2.gz PZFCHWLJMCXQEO-CJNGLKHVSA-N 1 1 340.899 0.765 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC000941592627 610388583 /nfs/dbraw/zinc/38/85/83/610388583.db2.gz KBJFJBJEOXUNBA-UHFFFAOYSA-N 1 1 331.420 0.503 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc4cccnn34)CC2)C1 ZINC000941596086 610390741 /nfs/dbraw/zinc/39/07/41/610390741.db2.gz WCQUAXIYCHBDCW-UHFFFAOYSA-N 1 1 326.404 0.357 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(CC)c3C)CC2)C1 ZINC000941607658 610405503 /nfs/dbraw/zinc/40/55/03/610405503.db2.gz UKYUABLQQQEMQK-UHFFFAOYSA-N 1 1 343.475 0.985 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000942371071 610419397 /nfs/dbraw/zinc/41/93/97/610419397.db2.gz WROWSNOXPZUTCO-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000941620171 610425400 /nfs/dbraw/zinc/42/54/00/610425400.db2.gz XAPVAMJVOUHDIL-UHFFFAOYSA-N 1 1 337.464 0.982 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000942517820 610491024 /nfs/dbraw/zinc/49/10/24/610491024.db2.gz GVEWADIYHFPIGW-KBPBESRZSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1 ZINC000941029707 610505739 /nfs/dbraw/zinc/50/57/39/610505739.db2.gz ZLTVGNUMYSROBY-ILXRZTDVSA-N 1 1 335.448 0.472 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](C)C1 ZINC000942543413 610505757 /nfs/dbraw/zinc/50/57/57/610505757.db2.gz VJCZVINZWKMTRH-HUUCEWRRSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](C)C1 ZINC000942542440 610505886 /nfs/dbraw/zinc/50/58/86/610505886.db2.gz FJQQRZYBWMTKAJ-ZIAGYGMSSA-N 1 1 329.404 0.509 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941791600 610510662 /nfs/dbraw/zinc/51/06/62/610510662.db2.gz VBWVWRIZYQIPMK-XJKSGUPXSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@H](C)C1 ZINC000942557655 610510850 /nfs/dbraw/zinc/51/08/50/610510850.db2.gz KTEQOCCBDDIWPM-HUUCEWRRSA-N 1 1 330.436 0.792 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000941050284 610511448 /nfs/dbraw/zinc/51/14/48/610511448.db2.gz RZOAVGGDIRLXDY-LSDHHAIUSA-N 1 1 344.463 0.866 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@@H](C)C1 ZINC000942581226 610525018 /nfs/dbraw/zinc/52/50/18/610525018.db2.gz CFZMTURBJKFHCR-JSGCOSHPSA-N 1 1 326.404 0.827 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]2C)c1 ZINC000942618370 610539717 /nfs/dbraw/zinc/53/97/17/610539717.db2.gz VAUORSGCQVCCFG-DYVFJYSZSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C[C@H]2C)c1 ZINC000942618370 610539721 /nfs/dbraw/zinc/53/97/21/610539721.db2.gz VAUORSGCQVCCFG-DYVFJYSZSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2C)c1 ZINC000942618390 610539873 /nfs/dbraw/zinc/53/98/73/610539873.db2.gz VESQALDTTXGEET-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000941147778 610573567 /nfs/dbraw/zinc/57/35/67/610573567.db2.gz JTDPNSIRMGPBEP-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)C(C)(C)C1 ZINC000941174873 610576424 /nfs/dbraw/zinc/57/64/24/610576424.db2.gz LOCFYODAAXKOKW-HNNXBMFYSA-N 1 1 330.432 0.792 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941967788 610581490 /nfs/dbraw/zinc/58/14/90/610581490.db2.gz UGDIZWCKQDGAPO-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@@H](C)C1 ZINC000942718187 610583325 /nfs/dbraw/zinc/58/33/25/610583325.db2.gz CHHBFRNQQCKVIA-UONOGXRCSA-N 1 1 330.432 0.597 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000941192313 610586712 /nfs/dbraw/zinc/58/67/12/610586712.db2.gz ZJOCEZHACZAHRL-CQSZACIVSA-N 1 1 335.452 0.683 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000941199633 610589984 /nfs/dbraw/zinc/58/99/84/610589984.db2.gz PIYAVRWRHRPXIT-GFCCVEGCSA-N 1 1 334.420 0.167 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)C1 ZINC000941206653 610596173 /nfs/dbraw/zinc/59/61/73/610596173.db2.gz KVBUDFPIRNGTDD-GFCCVEGCSA-N 1 1 331.420 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC000941245549 610616487 /nfs/dbraw/zinc/61/64/87/610616487.db2.gz RYZLVUQKKUVDMJ-IKGGRYGDSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC000941245549 610616488 /nfs/dbraw/zinc/61/64/88/610616488.db2.gz RYZLVUQKKUVDMJ-IKGGRYGDSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC000941237852 610621283 /nfs/dbraw/zinc/62/12/83/610621283.db2.gz KXOHUEWTOJUTRL-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC000941237852 610621286 /nfs/dbraw/zinc/62/12/86/610621286.db2.gz KXOHUEWTOJUTRL-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 ZINC000942107428 610653901 /nfs/dbraw/zinc/65/39/01/610653901.db2.gz WDHRPHKBTPNHFO-HUUCEWRRSA-N 1 1 348.447 0.340 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 ZINC000942176390 610686687 /nfs/dbraw/zinc/68/66/87/610686687.db2.gz OWVOXNPTAWDRQU-OCCSQVGLSA-N 1 1 326.462 0.824 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000942188805 610691231 /nfs/dbraw/zinc/69/12/31/610691231.db2.gz MTZKEYAELYRTPE-WCQYABFASA-N 1 1 341.433 0.943 20 30 ECEDMO O=C(C#CC1CC1)N1CCN(C2C[NH+](CCc3ccns3)C2)CC1 ZINC000941407799 610722320 /nfs/dbraw/zinc/72/23/20/610722320.db2.gz XJCNEVXPRQIJJJ-UHFFFAOYSA-N 1 1 344.484 0.927 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccnn3CC(F)F)CC2)C1 ZINC000941410245 610723145 /nfs/dbraw/zinc/72/31/45/610723145.db2.gz DKXVMBSIXANMOH-UHFFFAOYSA-N 1 1 339.390 0.776 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000943198932 610744068 /nfs/dbraw/zinc/74/40/68/610744068.db2.gz IZJWZOQUPFIJNX-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@H]1C ZINC000944214163 610786432 /nfs/dbraw/zinc/78/64/32/610786432.db2.gz ISBOESJULCZQOH-UKRRQHHQSA-N 1 1 344.415 0.280 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@H]1C ZINC000944214163 610786433 /nfs/dbraw/zinc/78/64/33/610786433.db2.gz ISBOESJULCZQOH-UKRRQHHQSA-N 1 1 344.415 0.280 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2C)cn1 ZINC000944215234 610787498 /nfs/dbraw/zinc/78/74/98/610787498.db2.gz RBUUOMNISQPARZ-YOEHRIQHSA-N 1 1 338.415 0.795 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2ncc[nH]2)C1 ZINC000943336783 610807562 /nfs/dbraw/zinc/80/75/62/610807562.db2.gz MXALOWPLUXQJMT-GJZGRUSLSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2ncc[nH]2)C1 ZINC000943336783 610807563 /nfs/dbraw/zinc/80/75/63/610807563.db2.gz MXALOWPLUXQJMT-GJZGRUSLSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C#CC2CC2)C1 ZINC000943337510 610807959 /nfs/dbraw/zinc/80/79/59/610807959.db2.gz RMVQGEAXUZWHBQ-ROUUACIJSA-N 1 1 341.455 0.995 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C#CC2CC2)C1 ZINC000943337510 610807960 /nfs/dbraw/zinc/80/79/60/610807960.db2.gz RMVQGEAXUZWHBQ-ROUUACIJSA-N 1 1 341.455 0.995 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000944414939 610857685 /nfs/dbraw/zinc/85/76/85/610857685.db2.gz PQHDLXHDXYKDRW-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000944414939 610857687 /nfs/dbraw/zinc/85/76/87/610857687.db2.gz PQHDLXHDXYKDRW-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2C)nn1 ZINC000943483587 610869633 /nfs/dbraw/zinc/86/96/33/610869633.db2.gz YHKHIFUMLBIUPZ-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C[C@@H]2C)nn1 ZINC000943498323 610884413 /nfs/dbraw/zinc/88/44/13/610884413.db2.gz OYCBTXRMWMSMQY-STQMWFEESA-N 1 1 334.424 0.040 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C[C@@H]2C)nn1 ZINC000943498323 610884414 /nfs/dbraw/zinc/88/44/14/610884414.db2.gz OYCBTXRMWMSMQY-STQMWFEESA-N 1 1 334.424 0.040 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)C2=CCCC2)C1 ZINC000944547009 610964449 /nfs/dbraw/zinc/96/44/49/610964449.db2.gz IDUGOIWGGBNHBN-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)C2=CCCC2)C1 ZINC000944547009 610964451 /nfs/dbraw/zinc/96/44/51/610964451.db2.gz IDUGOIWGGBNHBN-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000944600639 611008104 /nfs/dbraw/zinc/00/81/04/611008104.db2.gz LAMBLRVNWWCLLD-GJZGRUSLSA-N 1 1 335.448 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)nc1 ZINC000943914491 611037871 /nfs/dbraw/zinc/03/78/71/611037871.db2.gz KQOMTWDFUAJAHV-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)(C)CC)CCO1 ZINC000944648968 611057713 /nfs/dbraw/zinc/05/77/13/611057713.db2.gz XTTSRHQROQBSND-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)(C)CC)CCO1 ZINC000944648968 611057715 /nfs/dbraw/zinc/05/77/15/611057715.db2.gz XTTSRHQROQBSND-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000944027998 611089247 /nfs/dbraw/zinc/08/92/47/611089247.db2.gz ZYXNVRDHNYRKGH-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 ZINC000944032261 611097144 /nfs/dbraw/zinc/09/71/44/611097144.db2.gz GIOBBSQSHKOYLE-KGLIPLIRSA-N 1 1 336.436 0.721 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)CC[C@@H]2C1 ZINC000946819288 611171786 /nfs/dbraw/zinc/17/17/86/611171786.db2.gz ZNBJXQRBKIXCKC-ZNMIVQPWSA-N 1 1 341.477 0.377 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)CC[C@@H]2C1 ZINC000946848646 611194863 /nfs/dbraw/zinc/19/48/63/611194863.db2.gz MOZADSOHCXBLFY-OKILXGFUSA-N 1 1 348.447 0.673 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)CC[C@@H]2C1 ZINC000946902743 611245876 /nfs/dbraw/zinc/24/58/76/611245876.db2.gz XDIBNAAQTFEKGI-OKILXGFUSA-N 1 1 346.435 0.124 20 30 ECEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C1(O)CCOCC1 ZINC000929394902 611255706 /nfs/dbraw/zinc/25/57/06/611255706.db2.gz FUSUVIJNOQMCOB-KRWDZBQOSA-N 1 1 334.416 0.909 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C2=C(C)N(C)c3nnnn3[C@@H]2C)C1 ZINC000923558363 611260706 /nfs/dbraw/zinc/26/07/06/611260706.db2.gz YYMOIYCQDJKOPM-OLZOCXBDSA-N 1 1 329.408 0.172 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C2=C(C)N(C)c3nnnn3[C@@H]2C)C1 ZINC000923558363 611260707 /nfs/dbraw/zinc/26/07/07/611260707.db2.gz YYMOIYCQDJKOPM-OLZOCXBDSA-N 1 1 329.408 0.172 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cn2nnnc2-c2ccsc2)C1 ZINC000923556086 611262303 /nfs/dbraw/zinc/26/23/03/611262303.db2.gz ZCVPTKLAEVKSNJ-ZDUSSCGKSA-N 1 1 330.417 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2nnnc2-c2ccsc2)C1 ZINC000923556086 611262304 /nfs/dbraw/zinc/26/23/04/611262304.db2.gz ZCVPTKLAEVKSNJ-ZDUSSCGKSA-N 1 1 330.417 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)COCc2ocnc2C(=O)OC)C1 ZINC000923555881 611262343 /nfs/dbraw/zinc/26/23/43/611262343.db2.gz XYSSTTQFUHVFGU-LBPRGKRZSA-N 1 1 335.360 0.192 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)COCc2ocnc2C(=O)OC)C1 ZINC000923555881 611262344 /nfs/dbraw/zinc/26/23/44/611262344.db2.gz XYSSTTQFUHVFGU-LBPRGKRZSA-N 1 1 335.360 0.192 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(C(=O)OC(C)(C)C)=NO2)C1 ZINC000923561646 611262601 /nfs/dbraw/zinc/26/26/01/611262601.db2.gz IEAAFTSMRCMCTR-JSGCOSHPSA-N 1 1 335.404 0.687 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(C(=O)OC(C)(C)C)=NO2)C1 ZINC000923561646 611262603 /nfs/dbraw/zinc/26/26/03/611262603.db2.gz IEAAFTSMRCMCTR-JSGCOSHPSA-N 1 1 335.404 0.687 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000923567001 611262625 /nfs/dbraw/zinc/26/26/25/611262625.db2.gz VXKITFGLPUDSNN-CYBMUJFWSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000923567001 611262626 /nfs/dbraw/zinc/26/26/26/611262626.db2.gz VXKITFGLPUDSNN-CYBMUJFWSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)C1 ZINC000923566124 611264170 /nfs/dbraw/zinc/26/41/70/611264170.db2.gz KPJJTSMPNCWPGL-CQSZACIVSA-N 1 1 349.456 0.778 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)C1 ZINC000923566124 611264171 /nfs/dbraw/zinc/26/41/71/611264171.db2.gz KPJJTSMPNCWPGL-CQSZACIVSA-N 1 1 349.456 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC000923565786 611264198 /nfs/dbraw/zinc/26/41/98/611264198.db2.gz LCYZBICQVGIXSR-NEPJUHHUSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC000923565786 611264199 /nfs/dbraw/zinc/26/41/99/611264199.db2.gz LCYZBICQVGIXSR-NEPJUHHUSA-N 1 1 331.338 0.754 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000946496303 611285156 /nfs/dbraw/zinc/28/51/56/611285156.db2.gz NAQBYZWJALZRNX-UHFFFAOYSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000948597426 611291643 /nfs/dbraw/zinc/29/16/43/611291643.db2.gz BBCSPHSLRKXZEE-GJZGRUSLSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000948597426 611291644 /nfs/dbraw/zinc/29/16/44/611291644.db2.gz BBCSPHSLRKXZEE-GJZGRUSLSA-N 1 1 326.462 0.757 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000946518484 611297712 /nfs/dbraw/zinc/29/77/12/611297712.db2.gz ZUPIGUQMTYIDLK-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1=O ZINC000842616013 611317442 /nfs/dbraw/zinc/31/74/42/611317442.db2.gz FWFUHYYDLPETGT-GJZGRUSLSA-N 1 1 346.431 0.766 20 30 ECEDMO NS(=O)(=O)c1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)s1 ZINC000844590450 611321113 /nfs/dbraw/zinc/32/11/13/611321113.db2.gz WIZOLKWWVSESPJ-UWVGGRQHSA-N 1 1 327.435 0.589 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cn1 ZINC000921911505 611325960 /nfs/dbraw/zinc/32/59/60/611325960.db2.gz INILAIPAMBGMKD-CQSZACIVSA-N 1 1 336.417 0.485 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)cn1 ZINC000921911505 611325961 /nfs/dbraw/zinc/32/59/61/611325961.db2.gz INILAIPAMBGMKD-CQSZACIVSA-N 1 1 336.417 0.485 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921911923 611326336 /nfs/dbraw/zinc/32/63/36/611326336.db2.gz UKKWWMZAXSPYGP-ZFWWWQNUSA-N 1 1 344.481 0.556 20 30 ECEDMO C[C@]1(C#N)CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000933598773 611735324 /nfs/dbraw/zinc/73/53/24/611735324.db2.gz YKRIZEZGBVHEOI-IBGZPJMESA-N 1 1 342.443 0.945 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933720651 611744391 /nfs/dbraw/zinc/74/43/91/611744391.db2.gz NHKCIGQMWGZYQV-ZNMIVQPWSA-N 1 1 336.413 0.274 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933720651 611744392 /nfs/dbraw/zinc/74/43/92/611744392.db2.gz NHKCIGQMWGZYQV-ZNMIVQPWSA-N 1 1 336.413 0.274 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H](C)C2)nc1 ZINC000947936477 611747596 /nfs/dbraw/zinc/74/75/96/611747596.db2.gz VZENWEFYIPPGOI-HOCLYGCPSA-N 1 1 340.427 0.878 20 30 ECEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929395394 611750372 /nfs/dbraw/zinc/75/03/72/611750372.db2.gz QZDSYWTVTQMTOS-ROUUACIJSA-N 1 1 334.416 0.909 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)[C@H](C)C2)cn1 ZINC000947946393 611751627 /nfs/dbraw/zinc/75/16/27/611751627.db2.gz AKHXAKBVZNOSEH-RHSMWYFYSA-N 1 1 338.415 0.937 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(C)CC[N@@H+](C)CC1 ZINC000933997915 611765134 /nfs/dbraw/zinc/76/51/34/611765134.db2.gz PLDRNBQDLJAFIU-MRXNPFEDSA-N 1 1 335.496 0.897 20 30 ECEDMO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000949854006 611782718 /nfs/dbraw/zinc/78/27/18/611782718.db2.gz CZYNPWJGDQIPPM-HNNXBMFYSA-N 1 1 342.403 0.290 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)C1(O)CCCC1 ZINC000929824478 611797398 /nfs/dbraw/zinc/79/73/98/611797398.db2.gz LIHFHVFTXXDRDA-ZFWWWQNUSA-N 1 1 331.420 0.525 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)C1(O)CCCC1 ZINC000929824478 611797399 /nfs/dbraw/zinc/79/73/99/611797399.db2.gz LIHFHVFTXXDRDA-ZFWWWQNUSA-N 1 1 331.420 0.525 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)C1(O)CCCC1 ZINC000929824477 611797463 /nfs/dbraw/zinc/79/74/63/611797463.db2.gz LIHFHVFTXXDRDA-UKRRQHHQSA-N 1 1 331.420 0.525 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)C1(O)CCCC1 ZINC000929824477 611797465 /nfs/dbraw/zinc/79/74/65/611797465.db2.gz LIHFHVFTXXDRDA-UKRRQHHQSA-N 1 1 331.420 0.525 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CCCO)Cc1ccc(OC)cc1 ZINC000934509915 611805751 /nfs/dbraw/zinc/80/57/51/611805751.db2.gz VRTHQCATLDIXNW-UHFFFAOYSA-N 1 1 335.404 0.891 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCCO)Cc1ccc(OC)cc1 ZINC000934509915 611805752 /nfs/dbraw/zinc/80/57/52/611805752.db2.gz VRTHQCATLDIXNW-UHFFFAOYSA-N 1 1 335.404 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(F)F)C1 ZINC000950645167 611814344 /nfs/dbraw/zinc/81/43/44/611814344.db2.gz JWELTXQBVQQDQO-UPJWGTAASA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(F)F)C1 ZINC000950645167 611814347 /nfs/dbraw/zinc/81/43/47/611814347.db2.gz JWELTXQBVQQDQO-UPJWGTAASA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)[C@H]2CCCO2)CC1 ZINC000949105074 611855894 /nfs/dbraw/zinc/85/58/94/611855894.db2.gz IAYQWSBFOIXDQH-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)[C@H]2CCCO2)CC1 ZINC000949105074 611855896 /nfs/dbraw/zinc/85/58/96/611855896.db2.gz IAYQWSBFOIXDQH-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c(C)noc1C ZINC000950753964 611889506 /nfs/dbraw/zinc/88/95/06/611889506.db2.gz PEQUQRCCKMDHAV-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c(C)noc1C ZINC000950753964 611889508 /nfs/dbraw/zinc/88/95/08/611889508.db2.gz PEQUQRCCKMDHAV-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc[nH]c1C ZINC000950755789 611891323 /nfs/dbraw/zinc/89/13/23/611891323.db2.gz UMWRBKQHAOMWBT-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc[nH]c1C ZINC000950755789 611891324 /nfs/dbraw/zinc/89/13/24/611891324.db2.gz UMWRBKQHAOMWBT-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950764109 611896158 /nfs/dbraw/zinc/89/61/58/611896158.db2.gz IVSMEMDQEZZDCV-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950764109 611896160 /nfs/dbraw/zinc/89/61/60/611896160.db2.gz IVSMEMDQEZZDCV-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCN1CCC2(CC1)CN(C(=O)COC1CC[NH+](C)CC1)CCO2 ZINC000949217876 611904968 /nfs/dbraw/zinc/90/49/68/611904968.db2.gz YTGJDNOPQDNQKF-UHFFFAOYSA-N 1 1 349.475 0.424 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000950231940 611916529 /nfs/dbraw/zinc/91/65/29/611916529.db2.gz SOXPRNHVCAPUJS-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000950231704 611916929 /nfs/dbraw/zinc/91/69/29/611916929.db2.gz PJLSRRJHHSKEBG-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC000949295737 611930177 /nfs/dbraw/zinc/93/01/77/611930177.db2.gz WZYCJDKGYWHXES-UHFFFAOYSA-N 1 1 335.448 0.878 20 30 ECEDMO C=CCN1CC[C@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1=O ZINC000949318033 611937062 /nfs/dbraw/zinc/93/70/62/611937062.db2.gz SSNHLYKGQGUJNO-HNNXBMFYSA-N 1 1 331.420 0.123 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC000949340407 611944639 /nfs/dbraw/zinc/94/46/39/611944639.db2.gz MXGCOSSPJRXVMC-HNNXBMFYSA-N 1 1 333.432 0.229 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC000949340407 611944641 /nfs/dbraw/zinc/94/46/41/611944641.db2.gz MXGCOSSPJRXVMC-HNNXBMFYSA-N 1 1 333.432 0.229 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950862879 611951443 /nfs/dbraw/zinc/95/14/43/611951443.db2.gz NGZFDXAJDXQUDI-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000950317584 611968375 /nfs/dbraw/zinc/96/83/75/611968375.db2.gz TUXANJLZNHTGRB-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000950317583 611968442 /nfs/dbraw/zinc/96/84/42/611968442.db2.gz TUXANJLZNHTGRB-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000950319398 611969561 /nfs/dbraw/zinc/96/95/61/611969561.db2.gz FHYWKKCAMKENCD-AWEZNQCLSA-N 1 1 340.387 0.812 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC3(CC2)C[N@@H+](C[C@@H](C)O)CCO3)c1 ZINC000949468725 611990680 /nfs/dbraw/zinc/99/06/80/611990680.db2.gz KJRXJTLCJZKVGN-OAHLLOKOSA-N 1 1 343.427 0.751 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)n3C)CC2)C1 ZINC000949532045 612023281 /nfs/dbraw/zinc/02/32/81/612023281.db2.gz VYOSLWKIGAQLLY-UHFFFAOYSA-N 1 1 346.431 0.054 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000950482640 612035509 /nfs/dbraw/zinc/03/55/09/612035509.db2.gz NTWUHKWDHRHTLK-CQSZACIVSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000951223981 612089106 /nfs/dbraw/zinc/08/91/06/612089106.db2.gz VDKRESQFGKMKKE-HOCLYGCPSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000951223981 612089108 /nfs/dbraw/zinc/08/91/08/612089108.db2.gz VDKRESQFGKMKKE-HOCLYGCPSA-N 1 1 328.416 0.833 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000951957542 612152627 /nfs/dbraw/zinc/15/26/27/612152627.db2.gz CDTZNYWTJIFDFR-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2(CF)CC2)C1 ZINC000951963904 612157234 /nfs/dbraw/zinc/15/72/34/612157234.db2.gz GZOHUFQTUFDJMR-GJZGRUSLSA-N 1 1 335.423 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2(CF)CC2)C1 ZINC000951963904 612157235 /nfs/dbraw/zinc/15/72/35/612157235.db2.gz GZOHUFQTUFDJMR-GJZGRUSLSA-N 1 1 335.423 0.941 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCC[N@@H+]2C)cn1 ZINC000951376306 612192381 /nfs/dbraw/zinc/19/23/81/612192381.db2.gz BXHCWNRYEGHGTB-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000951410788 612211336 /nfs/dbraw/zinc/21/13/36/612211336.db2.gz MQEXQOLGZFJRAC-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2csnn2)C1 ZINC000951443030 612236662 /nfs/dbraw/zinc/23/66/62/612236662.db2.gz HSPHYIOMOAUYMA-JSGCOSHPSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2csnn2)C1 ZINC000951443030 612236663 /nfs/dbraw/zinc/23/66/63/612236663.db2.gz HSPHYIOMOAUYMA-JSGCOSHPSA-N 1 1 347.444 0.357 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1)C2 ZINC000952152564 612251383 /nfs/dbraw/zinc/25/13/83/612251383.db2.gz JPPIBSFUMCAHQL-HZPDHXFCSA-N 1 1 340.427 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]nc2C)C1 ZINC000951518470 612294127 /nfs/dbraw/zinc/29/41/27/612294127.db2.gz JQBZTZRIHWJVJW-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]nc2C)C1 ZINC000951518470 612294128 /nfs/dbraw/zinc/29/41/28/612294128.db2.gz JQBZTZRIHWJVJW-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)n(C)n2)C1 ZINC000953838819 612341895 /nfs/dbraw/zinc/34/18/95/612341895.db2.gz HFKKUIRPIKEZDM-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)n(C)n2)C1 ZINC000953838819 612341899 /nfs/dbraw/zinc/34/18/99/612341899.db2.gz HFKKUIRPIKEZDM-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C=CCn1cccc1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954547946 612391550 /nfs/dbraw/zinc/39/15/50/612391550.db2.gz JPFNKSPCHWGVBJ-CQSZACIVSA-N 1 1 330.432 0.909 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccsn2)C1 ZINC000954590116 612427613 /nfs/dbraw/zinc/42/76/13/612427613.db2.gz LKVMDBQVEZYNDQ-AWEZNQCLSA-N 1 1 332.429 0.524 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccsn2)C1 ZINC000954590116 612427618 /nfs/dbraw/zinc/42/76/18/612427618.db2.gz LKVMDBQVEZYNDQ-AWEZNQCLSA-N 1 1 332.429 0.524 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2C)C1 ZINC000953923613 612450352 /nfs/dbraw/zinc/45/03/52/612450352.db2.gz ZUCGKRQROKVEKW-HNNXBMFYSA-N 1 1 343.431 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2C)C1 ZINC000953923613 612450353 /nfs/dbraw/zinc/45/03/53/612450353.db2.gz ZUCGKRQROKVEKW-HNNXBMFYSA-N 1 1 343.431 0.407 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nn(C)cc2C)C1 ZINC000954630813 612467957 /nfs/dbraw/zinc/46/79/57/612467957.db2.gz KSQZNNCXXHWDQE-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nn(C)cc2C)C1 ZINC000954630813 612467960 /nfs/dbraw/zinc/46/79/60/612467960.db2.gz KSQZNNCXXHWDQE-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954630859 612468519 /nfs/dbraw/zinc/46/85/19/612468519.db2.gz MOTJYEMMRAMWHE-INIZCTEOSA-N 1 1 339.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954630859 612468522 /nfs/dbraw/zinc/46/85/22/612468522.db2.gz MOTJYEMMRAMWHE-INIZCTEOSA-N 1 1 339.399 0.267 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2cnc(C)o2)C1 ZINC000954631487 612470296 /nfs/dbraw/zinc/47/02/96/612470296.db2.gz YKQDAJMYRMMDIO-INIZCTEOSA-N 1 1 344.415 0.292 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2cnc(C)o2)C1 ZINC000954631487 612470299 /nfs/dbraw/zinc/47/02/99/612470299.db2.gz YKQDAJMYRMMDIO-INIZCTEOSA-N 1 1 344.415 0.292 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC000955345610 612474257 /nfs/dbraw/zinc/47/42/57/612474257.db2.gz WZHVUWHVJRLTSR-AWEZNQCLSA-N 1 1 340.427 0.688 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000955348774 612479897 /nfs/dbraw/zinc/47/98/97/612479897.db2.gz CSVGJGSTOGHSAK-RISCZKNCSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cnc(C)[nH]2)C1 ZINC000956765526 612492254 /nfs/dbraw/zinc/49/22/54/612492254.db2.gz UQKGPQWOZNQRFT-YJBOKZPZSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cnc(C)[nH]2)C1 ZINC000956765526 612492260 /nfs/dbraw/zinc/49/22/60/612492260.db2.gz UQKGPQWOZNQRFT-YJBOKZPZSA-N 1 1 343.431 0.537 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000955366513 612504031 /nfs/dbraw/zinc/50/40/31/612504031.db2.gz SGVGGMZEPICYCM-BMFZPTHFSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c(C)noc2C)C1 ZINC000953700541 612537705 /nfs/dbraw/zinc/53/77/05/612537705.db2.gz DOXHJXNPGILVLW-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c(C)noc2C)C1 ZINC000953700541 612537707 /nfs/dbraw/zinc/53/77/07/612537707.db2.gz DOXHJXNPGILVLW-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC000955975165 612550821 /nfs/dbraw/zinc/55/08/21/612550821.db2.gz BTWJXPADOIBOHF-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@H]2CCCO2)CC1 ZINC000953739165 612574578 /nfs/dbraw/zinc/57/45/78/612574578.db2.gz KVZUCBBOHVIUDP-DLBZAZTESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@H]2CCCO2)CC1 ZINC000953739165 612574581 /nfs/dbraw/zinc/57/45/81/612574581.db2.gz KVZUCBBOHVIUDP-DLBZAZTESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H](CC)OC)CC1 ZINC000954044649 612585535 /nfs/dbraw/zinc/58/55/35/612585535.db2.gz KXNDCEXJWUDHDO-DLBZAZTESA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H](CC)OC)CC1 ZINC000954044649 612585540 /nfs/dbraw/zinc/58/55/40/612585540.db2.gz KXNDCEXJWUDHDO-DLBZAZTESA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2cnco2)CC1 ZINC000954044444 612585605 /nfs/dbraw/zinc/58/56/05/612585605.db2.gz BKECVODEZFCEDW-HNNXBMFYSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2cnco2)CC1 ZINC000954044444 612585609 /nfs/dbraw/zinc/58/56/09/612585609.db2.gz BKECVODEZFCEDW-HNNXBMFYSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000954044770 612585979 /nfs/dbraw/zinc/58/59/79/612585979.db2.gz PSJSDZJWBORVKO-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000954044770 612585983 /nfs/dbraw/zinc/58/59/83/612585983.db2.gz PSJSDZJWBORVKO-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000954072748 612630632 /nfs/dbraw/zinc/63/06/32/612630632.db2.gz HBCPNPLMSHERHW-HNNXBMFYSA-N 1 1 329.404 0.653 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956935481 612718703 /nfs/dbraw/zinc/71/87/03/612718703.db2.gz VOCHHFZWABYOEN-SJKOYZFVSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2n[nH]cc2C)C1 ZINC000954234701 612785511 /nfs/dbraw/zinc/78/55/11/612785511.db2.gz ULKZWZMWAXBPID-AWEZNQCLSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2n[nH]cc2C)C1 ZINC000954234701 612785513 /nfs/dbraw/zinc/78/55/13/612785513.db2.gz ULKZWZMWAXBPID-AWEZNQCLSA-N 1 1 329.404 0.099 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956224773 612786020 /nfs/dbraw/zinc/78/60/20/612786020.db2.gz DQJWYRNTKHSMFP-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO CN(C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954280525 612820557 /nfs/dbraw/zinc/82/05/57/612820557.db2.gz IBVDMOAWRATNIM-HZPDHXFCSA-N 1 1 329.444 0.943 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000954317861 612846849 /nfs/dbraw/zinc/84/68/49/612846849.db2.gz AXNAZNQYLRIRTD-AWEZNQCLSA-N 1 1 326.400 0.297 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N(C)C2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000955077209 612885164 /nfs/dbraw/zinc/88/51/64/612885164.db2.gz AGIATDDOKNBDHX-STQMWFEESA-N 1 1 343.431 0.899 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954411688 612896920 /nfs/dbraw/zinc/89/69/20/612896920.db2.gz SYKFUETVLNFANT-DZUCGIPZSA-N 1 1 349.475 0.977 20 30 ECEDMO N#CCc1cncc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737500 720745164 /nfs/dbraw/zinc/74/51/64/720745164.db2.gz BZJASCUEGFQOAF-HUUCEWRRSA-N 1 1 337.387 0.675 20 30 ECEDMO Cc1nc(C#N)cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164749345 720803857 /nfs/dbraw/zinc/80/38/57/720803857.db2.gz UGUNEXJOARRVDM-GJZGRUSLSA-N 1 1 337.387 0.789 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC001041782440 782195854 /nfs/dbraw/zinc/19/58/54/782195854.db2.gz XRDYXYXUAYCOGS-YJBOKZPZSA-N 1 1 332.448 0.867 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccccc2O)C1 ZINC001149168385 735362596 /nfs/dbraw/zinc/36/25/96/735362596.db2.gz SHFWHLVZIIDBAY-OAHLLOKOSA-N 1 1 332.400 0.863 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccccc2O)C1 ZINC001149168385 735362598 /nfs/dbraw/zinc/36/25/98/735362598.db2.gz SHFWHLVZIIDBAY-OAHLLOKOSA-N 1 1 332.400 0.863 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccnc4nc(C)nn43)C2)C1 ZINC001041786057 782203362 /nfs/dbraw/zinc/20/33/62/782203362.db2.gz RGVFNRGFFZCKGA-SFHVURJKSA-N 1 1 338.415 0.994 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3ccon3)C2)C1=O ZINC000971936628 735414836 /nfs/dbraw/zinc/41/48/36/735414836.db2.gz HAYLZPDONSONLA-HOTGVXAUSA-N 1 1 346.431 0.927 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1 ZINC001098560969 735446053 /nfs/dbraw/zinc/44/60/53/735446053.db2.gz KMDWWJIWTFWNSI-UHFFFAOYSA-N 1 1 346.431 0.260 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC000972015441 735506292 /nfs/dbraw/zinc/50/62/92/735506292.db2.gz BJJGEDTZYHIBIF-QLFBSQMISA-N 1 1 343.855 0.907 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC000972015441 735506295 /nfs/dbraw/zinc/50/62/95/735506295.db2.gz BJJGEDTZYHIBIF-QLFBSQMISA-N 1 1 343.855 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCc1nonc1C ZINC001024987458 738461934 /nfs/dbraw/zinc/46/19/34/738461934.db2.gz LNFTWAUBEPIQAS-RDJZCZTQSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCc1nonc1C ZINC001024987458 738461935 /nfs/dbraw/zinc/46/19/35/738461935.db2.gz LNFTWAUBEPIQAS-RDJZCZTQSA-N 1 1 345.447 0.946 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)C(C)(C)C2)C1=O ZINC000972984105 738476421 /nfs/dbraw/zinc/47/64/21/738476421.db2.gz BFDLVTKGIUBIGU-LSDHHAIUSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)C(C)(C)C2)C1=O ZINC000972984105 738476423 /nfs/dbraw/zinc/47/64/23/738476423.db2.gz BFDLVTKGIUBIGU-LSDHHAIUSA-N 1 1 345.447 0.566 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cncn2C)[C@@H](n2ccnn2)C1 ZINC001069972111 790262655 /nfs/dbraw/zinc/26/26/55/790262655.db2.gz ZUCARHJOTYRTLP-HIFRSBDPSA-N 1 1 329.408 0.633 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nnnn2C)cc1 ZINC001025037659 738523114 /nfs/dbraw/zinc/52/31/14/738523114.db2.gz JUXHHQCLWGSAHN-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000969135882 731518426 /nfs/dbraw/zinc/51/84/26/731518426.db2.gz HZFVQYOIZKFXPT-SJORKVTESA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000969150407 731526559 /nfs/dbraw/zinc/52/65/59/731526559.db2.gz HPBMJIMMFDWNAI-KBPBESRZSA-N 1 1 327.450 0.062 20 30 ECEDMO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCS1(=O)=O ZINC000969153352 731534132 /nfs/dbraw/zinc/53/41/32/731534132.db2.gz FZAQVLFWEYGOFM-CABCVRRESA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCS1(=O)=O ZINC000969153352 731534134 /nfs/dbraw/zinc/53/41/34/731534134.db2.gz FZAQVLFWEYGOFM-CABCVRRESA-N 1 1 326.462 0.948 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1C#N ZINC001125278475 731547856 /nfs/dbraw/zinc/54/78/56/731547856.db2.gz DHVMIEYNWLDGBJ-ZBFHGGJFSA-N 1 1 345.447 0.693 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 ZINC001125280397 731577479 /nfs/dbraw/zinc/57/74/79/731577479.db2.gz RIJCXCJNYVADRJ-ZFWWWQNUSA-N 1 1 346.435 0.088 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](C)C(=O)NC)C3)C2)cn1 ZINC001041793262 782221889 /nfs/dbraw/zinc/22/18/89/782221889.db2.gz IHBWPPOIJLIQRD-AUUYWEPGSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C)on3)C2)C1=O ZINC000969263210 731656727 /nfs/dbraw/zinc/65/67/27/731656727.db2.gz GOAFDYSTRYOJHC-SWLSCSKDSA-N 1 1 332.404 0.820 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1)C1CC1 ZINC000973008232 738539078 /nfs/dbraw/zinc/53/90/78/738539078.db2.gz FAYYOHVJTORGCU-OAHLLOKOSA-N 1 1 343.431 0.947 20 30 ECEDMO CN(C(=O)C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1)C1CC1 ZINC000973008232 738539080 /nfs/dbraw/zinc/53/90/80/738539080.db2.gz FAYYOHVJTORGCU-OAHLLOKOSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001041806161 782239446 /nfs/dbraw/zinc/23/94/46/782239446.db2.gz UXYPKPSVASVVDP-HZPDHXFCSA-N 1 1 339.461 0.016 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC000969421226 731848102 /nfs/dbraw/zinc/84/81/02/731848102.db2.gz VVDGTCCMLVMOQI-DZGCQCFKSA-N 1 1 345.447 0.864 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000969506093 731934935 /nfs/dbraw/zinc/93/49/35/731934935.db2.gz MIHHXGHUEGTPGZ-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969527141 731945417 /nfs/dbraw/zinc/94/54/17/731945417.db2.gz UWOVVNWHVNXVIP-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H](C)C2C[NH+](CC#Cc3ccccc3)C2)C1 ZINC000969569460 731975946 /nfs/dbraw/zinc/97/59/46/731975946.db2.gz PGXWHOHDSGGCQZ-OAHLLOKOSA-N 1 1 339.439 0.953 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@H](C)C#N)C3)C1 ZINC000969694549 732054181 /nfs/dbraw/zinc/05/41/81/732054181.db2.gz KGEVRHXSFDZHML-LVQVYYBASA-N 1 1 348.447 0.457 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@H](C)C#N)C3)C1 ZINC000969694549 732054185 /nfs/dbraw/zinc/05/41/85/732054185.db2.gz KGEVRHXSFDZHML-LVQVYYBASA-N 1 1 348.447 0.457 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041812386 782254106 /nfs/dbraw/zinc/25/41/06/782254106.db2.gz YXPLFUSFKAFATA-WMZOPIPTSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2(COC)CCC2)[C@H](OC)C1 ZINC001213187719 738606568 /nfs/dbraw/zinc/60/65/68/738606568.db2.gz CVBNDMUUDJORRP-HUUCEWRRSA-N 1 1 326.437 0.821 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2noc(CC)n2)C1 ZINC000969867627 732462427 /nfs/dbraw/zinc/46/24/27/732462427.db2.gz DEHPUBCQROGHFB-HIFRSBDPSA-N 1 1 345.447 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2noc(CC)n2)C1 ZINC000969867627 732462433 /nfs/dbraw/zinc/46/24/33/732462433.db2.gz DEHPUBCQROGHFB-HIFRSBDPSA-N 1 1 345.447 0.666 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cn(C)nc2C)C1 ZINC000969868041 732462800 /nfs/dbraw/zinc/46/28/00/732462800.db2.gz HDXJNIAZHNXJHG-KDOFPFPSSA-N 1 1 343.475 0.763 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nnc(C)s2)C1 ZINC000969865800 732464099 /nfs/dbraw/zinc/46/40/99/732464099.db2.gz QXLPEJDJYZPAJS-DOMZBBRYSA-N 1 1 347.488 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nnc(C)s2)C1 ZINC000969865800 732464103 /nfs/dbraw/zinc/46/41/03/732464103.db2.gz QXLPEJDJYZPAJS-DOMZBBRYSA-N 1 1 347.488 0.881 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3c(C)ncn3C)C2)C1=O ZINC000969895630 732489876 /nfs/dbraw/zinc/48/98/76/732489876.db2.gz BYLCOYJCHBMCAM-WFASDCNBSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001041816964 782262442 /nfs/dbraw/zinc/26/24/42/782262442.db2.gz UDORUGZAMXZWQD-QGZVFWFLSA-N 1 1 334.420 0.427 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)C(=O)N2CCC[C@@H]2CC)CC1 ZINC001098526434 732523637 /nfs/dbraw/zinc/52/36/37/732523637.db2.gz JIWBRGWYRNRESY-INIZCTEOSA-N 1 1 349.475 0.696 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000970016498 732623048 /nfs/dbraw/zinc/62/30/48/732623048.db2.gz ADJVMJPKUFZTNF-MCIONIFRSA-N 1 1 347.419 0.090 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)C1 ZINC001041834460 782305833 /nfs/dbraw/zinc/30/58/33/782305833.db2.gz DCSRRWFFCNIKHL-HKUYNNGSSA-N 1 1 333.476 0.902 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)C1 ZINC001041834460 782305837 /nfs/dbraw/zinc/30/58/37/782305837.db2.gz DCSRRWFFCNIKHL-HKUYNNGSSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCCN(C)C2=O)CC1 ZINC001098530568 733021399 /nfs/dbraw/zinc/02/13/99/733021399.db2.gz CJXWIWBIDRDAIF-QGZVFWFLSA-N 1 1 349.475 0.554 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCCN(C)C2=O)CC1 ZINC001098530567 733021626 /nfs/dbraw/zinc/02/16/26/733021626.db2.gz CJXWIWBIDRDAIF-KRWDZBQOSA-N 1 1 349.475 0.554 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCCN(C)C2=O)CC1 ZINC001098532800 733052913 /nfs/dbraw/zinc/05/29/13/733052913.db2.gz FUJAJPAEFWCYAC-QGZVFWFLSA-N 1 1 349.475 0.554 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNc2cnc(C#N)cn2)CC1 ZINC001067470760 733186733 /nfs/dbraw/zinc/18/67/33/733186733.db2.gz AJCJKNWNPIBLEK-CQSZACIVSA-N 1 1 344.419 0.208 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC000970254901 733262093 /nfs/dbraw/zinc/26/20/93/733262093.db2.gz DYMLSQKPHQRHGH-LRDDRELGSA-N 1 1 339.395 0.523 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC001041854446 782341065 /nfs/dbraw/zinc/34/10/65/782341065.db2.gz YZQUGZHYEVQVCC-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1ccncc1C#N ZINC001104253086 733367970 /nfs/dbraw/zinc/36/79/70/733367970.db2.gz DOXUAGXIALLBDB-YOEHRIQHSA-N 1 1 325.416 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1ccncc1C#N ZINC001104253086 733367971 /nfs/dbraw/zinc/36/79/71/733367971.db2.gz DOXUAGXIALLBDB-YOEHRIQHSA-N 1 1 325.416 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cc(COC)ncn1 ZINC001104253288 733368185 /nfs/dbraw/zinc/36/81/85/733368185.db2.gz JVONPSVKLGEVCN-ZBFHGGJFSA-N 1 1 345.447 0.885 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cc(COC)ncn1 ZINC001104253288 733368191 /nfs/dbraw/zinc/36/81/91/733368191.db2.gz JVONPSVKLGEVCN-ZBFHGGJFSA-N 1 1 345.447 0.885 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2O)CC1 ZINC000970336014 733379062 /nfs/dbraw/zinc/37/90/62/733379062.db2.gz FRZWMPRUBWGAJY-OIISXLGYSA-N 1 1 349.475 0.905 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970354768 733404800 /nfs/dbraw/zinc/40/48/00/733404800.db2.gz SYWJAHJYQDEVIT-XJKSGUPXSA-N 1 1 326.400 0.156 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC001098537313 733580271 /nfs/dbraw/zinc/58/02/71/733580271.db2.gz YCGUGUNVLDQREF-UHFFFAOYSA-N 1 1 331.416 0.308 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccn(CC)n3)C2)C1=O ZINC000970530637 733649510 /nfs/dbraw/zinc/64/95/10/733649510.db2.gz BYBKPJFPIHNLJL-XJKSGUPXSA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@H](CC)C(N)=O)C2)nn1 ZINC000970562181 733677103 /nfs/dbraw/zinc/67/71/03/733677103.db2.gz HCQWGOSKFZATKR-BXUZGUMPSA-N 1 1 334.424 0.168 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC000970661949 733790468 /nfs/dbraw/zinc/79/04/68/733790468.db2.gz GVGISDIYODXWGP-UONOGXRCSA-N 1 1 331.420 0.388 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001039201815 733827662 /nfs/dbraw/zinc/82/76/62/733827662.db2.gz GHTFMEOEJLFAQV-GOEBONIOSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001039201815 733827665 /nfs/dbraw/zinc/82/76/65/733827665.db2.gz GHTFMEOEJLFAQV-GOEBONIOSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cc(Cn3cccn3)on2)C1 ZINC000970716044 733865726 /nfs/dbraw/zinc/86/57/26/733865726.db2.gz MBOPBTUYPNJKPS-CYBMUJFWSA-N 1 1 327.388 0.993 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](n2ccnn2)C1 ZINC001069985698 790280667 /nfs/dbraw/zinc/28/06/67/790280667.db2.gz CMRDOBWVMZPPAM-WCVJEAGWSA-N 1 1 331.420 0.621 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](n2ccnn2)C1 ZINC001069985698 790280672 /nfs/dbraw/zinc/28/06/72/790280672.db2.gz CMRDOBWVMZPPAM-WCVJEAGWSA-N 1 1 331.420 0.621 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC000970765791 733922981 /nfs/dbraw/zinc/92/29/81/733922981.db2.gz FYQGOJBXIYWQFH-DYVFJYSZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC000970765792 733923173 /nfs/dbraw/zinc/92/31/73/733923173.db2.gz FYQGOJBXIYWQFH-GUYCJALGSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC000970765512 733923232 /nfs/dbraw/zinc/92/32/32/733923232.db2.gz DIVSBDKFMRXKGB-CHWSQXEVSA-N 1 1 340.427 0.780 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(OCC)c2)C1 ZINC001078146321 782377630 /nfs/dbraw/zinc/37/76/30/782377630.db2.gz ARECEGAFLMNAJR-HUUCEWRRSA-N 1 1 332.400 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC000973111438 738776039 /nfs/dbraw/zinc/77/60/39/738776039.db2.gz CBTMAQQSBGWLPB-KKUMJFAQSA-N 1 1 343.431 0.501 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC000973111438 738776041 /nfs/dbraw/zinc/77/60/41/738776041.db2.gz CBTMAQQSBGWLPB-KKUMJFAQSA-N 1 1 343.431 0.501 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC000971020554 734186708 /nfs/dbraw/zinc/18/67/08/734186708.db2.gz LVTARLHQIPKQBR-JSGCOSHPSA-N 1 1 345.403 0.115 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC3CC3)[C@@H]2C1 ZINC000971039834 734201147 /nfs/dbraw/zinc/20/11/47/734201147.db2.gz FXAJTAOZWDMQMA-IXDOHACOSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC3CC3)[C@@H]2C1 ZINC000971039834 734201150 /nfs/dbraw/zinc/20/11/50/734201150.db2.gz FXAJTAOZWDMQMA-IXDOHACOSA-N 1 1 329.444 0.943 20 30 ECEDMO CC#CCN1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083210766 734201568 /nfs/dbraw/zinc/20/15/68/734201568.db2.gz ROADIXNZNZOIRG-JKSUJKDBSA-N 1 1 330.432 0.941 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cccn3C)C2)C1=O ZINC000971090363 734250176 /nfs/dbraw/zinc/25/01/76/734250176.db2.gz DBWJDORGVCQGLY-HOCLYGCPSA-N 1 1 330.432 0.958 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(c2ncc(C#N)cc2F)CCO1 ZINC001104318944 734286904 /nfs/dbraw/zinc/28/69/04/734286904.db2.gz WMXVARQWSRNQND-AWEZNQCLSA-N 1 1 349.410 0.754 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(c3ccnc(C#N)n3)CCO2)C1 ZINC001104322099 734299408 /nfs/dbraw/zinc/29/94/08/734299408.db2.gz VNPLOSVZXLNLGE-KGLIPLIRSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCOCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnsn2)C1 ZINC001149256008 734337183 /nfs/dbraw/zinc/33/71/83/734337183.db2.gz IUMUDPFHOBFIDG-LBPRGKRZSA-N 1 1 326.422 0.561 20 30 ECEDMO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971371436 734482126 /nfs/dbraw/zinc/48/21/26/734482126.db2.gz JRBYBNGJIYURNA-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971371436 734482129 /nfs/dbraw/zinc/48/21/29/734482129.db2.gz JRBYBNGJIYURNA-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC000971428203 734567522 /nfs/dbraw/zinc/56/75/22/734567522.db2.gz DZYLQZBIJWLYIZ-VNQPRFMTSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC000971428203 734567525 /nfs/dbraw/zinc/56/75/25/734567525.db2.gz DZYLQZBIJWLYIZ-VNQPRFMTSA-N 1 1 341.415 0.180 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cncnc3)C2)C1=O ZINC000971427389 734568809 /nfs/dbraw/zinc/56/88/09/734568809.db2.gz OQVMNJQFDQICQF-HOTGVXAUSA-N 1 1 343.431 0.339 20 30 ECEDMO C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511416 734698108 /nfs/dbraw/zinc/69/81/08/734698108.db2.gz LNJTWHOUNJROIU-HOTGVXAUSA-N 1 1 338.473 0.757 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511416 734698112 /nfs/dbraw/zinc/69/81/12/734698112.db2.gz LNJTWHOUNJROIU-HOTGVXAUSA-N 1 1 338.473 0.757 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545151 734739051 /nfs/dbraw/zinc/73/90/51/734739051.db2.gz LICLZRHWHFOZJM-AWEZNQCLSA-N 1 1 343.366 0.417 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545151 734739054 /nfs/dbraw/zinc/73/90/54/734739054.db2.gz LICLZRHWHFOZJM-AWEZNQCLSA-N 1 1 343.366 0.417 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CS(=O)(=O)C1 ZINC001025231013 738853180 /nfs/dbraw/zinc/85/31/80/738853180.db2.gz FAYRQPNIYRCUCE-HZPDHXFCSA-N 1 1 338.473 0.900 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CCNC(=O)c2ccco2)CC1 ZINC001098555930 735006946 /nfs/dbraw/zinc/00/69/46/735006946.db2.gz VOXQRCCJXSIOIQ-UHFFFAOYSA-N 1 1 349.431 0.871 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC000972058550 735594179 /nfs/dbraw/zinc/59/41/79/735594179.db2.gz KKQWZQNMQVNXFT-HZPDHXFCSA-N 1 1 339.395 0.619 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3n[nH]nc3C)C2)C1=O ZINC000972061251 735595658 /nfs/dbraw/zinc/59/56/58/735595658.db2.gz KXXRKLZPZHRLCZ-QWHCGFSZSA-N 1 1 332.408 0.046 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2[nH]cnc2C)C1 ZINC001006396195 751346325 /nfs/dbraw/zinc/34/63/25/751346325.db2.gz JFUYIUPVCXFMCA-DOMZBBRYSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2[nH]cnc2C)C1 ZINC001006396195 751346333 /nfs/dbraw/zinc/34/63/33/751346333.db2.gz JFUYIUPVCXFMCA-DOMZBBRYSA-N 1 1 343.431 0.392 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3c(C)cnn3C)C2)C1=O ZINC000972123867 735673807 /nfs/dbraw/zinc/67/38/07/735673807.db2.gz FFYNABRBHQGOOA-LSDHHAIUSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)C(C)C)CC1 ZINC001098564193 735676704 /nfs/dbraw/zinc/67/67/04/735676704.db2.gz QOHIGGAUUGJFAC-UHFFFAOYSA-N 1 1 332.466 0.281 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(N(C)C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001006406174 751357638 /nfs/dbraw/zinc/35/76/38/751357638.db2.gz GTNNACBWPXTGIZ-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC000972242370 735830819 /nfs/dbraw/zinc/83/08/19/735830819.db2.gz IYDQJBRTOCZAEL-XJKCOSOUSA-N 1 1 341.415 0.511 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CCCn2cccn2)CC1 ZINC001098566821 735860658 /nfs/dbraw/zinc/86/06/58/735860658.db2.gz PWXNTONWLGVWCG-UHFFFAOYSA-N 1 1 332.448 0.972 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCCN(C)C3=O)C2)c1 ZINC000972284457 735888719 /nfs/dbraw/zinc/88/87/19/735888719.db2.gz JWISTWNGSVVPFN-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCN(CC)C3=O)C2)c1 ZINC000972293097 735900964 /nfs/dbraw/zinc/90/09/64/735900964.db2.gz ZZCBDEJBIYFJBU-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@H+](CCCN1CCCC1=O)CCO2 ZINC000972298477 735908208 /nfs/dbraw/zinc/90/82/08/735908208.db2.gz TYDXRMFKVXGFLV-CRAIPNDOSA-N 1 1 348.447 0.462 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@@H+](CCCN1CCCC1=O)CCO2 ZINC000972298477 735908213 /nfs/dbraw/zinc/90/82/13/735908213.db2.gz TYDXRMFKVXGFLV-CRAIPNDOSA-N 1 1 348.447 0.462 20 30 ECEDMO COC[C@@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972319499 735939071 /nfs/dbraw/zinc/93/90/71/735939071.db2.gz LILKMCJYCFHBFF-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972319499 735939076 /nfs/dbraw/zinc/93/90/76/735939076.db2.gz LILKMCJYCFHBFF-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341362 735969966 /nfs/dbraw/zinc/96/99/66/735969966.db2.gz FYJJIPQODWYRLH-KFWWJZLASA-N 1 1 344.390 0.851 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341362 735969971 /nfs/dbraw/zinc/96/99/71/735969971.db2.gz FYJJIPQODWYRLH-KFWWJZLASA-N 1 1 344.390 0.851 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@H]2CCOC2)CCO3)c[nH]1 ZINC000972354092 735995789 /nfs/dbraw/zinc/99/57/89/735995789.db2.gz WXCVKWDWJUHPMF-RDTXWAMCSA-N 1 1 344.415 0.840 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 ZINC000972358529 736007744 /nfs/dbraw/zinc/00/77/44/736007744.db2.gz RLGAUWREMYEMEO-KRWDZBQOSA-N 1 1 333.436 0.938 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC001078216732 782509371 /nfs/dbraw/zinc/50/93/71/782509371.db2.gz ZQISBHZANHOJGH-HZPDHXFCSA-N 1 1 334.356 0.733 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC001078216732 782509378 /nfs/dbraw/zinc/50/93/78/782509378.db2.gz ZQISBHZANHOJGH-HZPDHXFCSA-N 1 1 334.356 0.733 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001078219454 782510649 /nfs/dbraw/zinc/51/06/49/782510649.db2.gz ALXKUHMEGOKDQW-BZUAXINKSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccnnc3)C2)C1=O ZINC000972418047 736157693 /nfs/dbraw/zinc/15/76/93/736157693.db2.gz BDEPCOJFIUVTDO-HUUCEWRRSA-N 1 1 329.404 0.410 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000972420380 736162831 /nfs/dbraw/zinc/16/28/31/736162831.db2.gz UGEFGIUHLJKBIK-YJBOKZPZSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3nc(CC)c[nH]3)C2)C1 ZINC000972420293 736163066 /nfs/dbraw/zinc/16/30/66/736163066.db2.gz RNSFYXDJUZWJOI-GOSISDBHSA-N 1 1 330.432 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3nc(CC)c[nH]3)C2)C1 ZINC000972420293 736163067 /nfs/dbraw/zinc/16/30/67/736163067.db2.gz RNSFYXDJUZWJOI-GOSISDBHSA-N 1 1 330.432 0.841 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435332 736189503 /nfs/dbraw/zinc/18/95/03/736189503.db2.gz NREFVULCYQQZGV-SFHVURJKSA-N 1 1 346.431 0.906 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 ZINC000972440099 736198463 /nfs/dbraw/zinc/19/84/63/736198463.db2.gz ZQTQSGYCMZWFMN-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)C1 ZINC000972440798 736200182 /nfs/dbraw/zinc/20/01/82/736200182.db2.gz LIBKHSWBEKBOKW-LPHOPBHVSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)C1 ZINC000972440798 736200185 /nfs/dbraw/zinc/20/01/85/736200185.db2.gz LIBKHSWBEKBOKW-LPHOPBHVSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC000972458243 736251599 /nfs/dbraw/zinc/25/15/99/736251599.db2.gz IRDLFHCNYWUCHJ-KRWDZBQOSA-N 1 1 340.387 0.293 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC000972458243 736251601 /nfs/dbraw/zinc/25/16/01/736251601.db2.gz IRDLFHCNYWUCHJ-KRWDZBQOSA-N 1 1 340.387 0.293 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)CC)C[C@H]21 ZINC001114949240 736286350 /nfs/dbraw/zinc/28/63/50/736286350.db2.gz JQLBKBHJXFJUKZ-DTJSUFBGSA-N 1 1 349.475 0.882 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 ZINC000972494485 736392330 /nfs/dbraw/zinc/39/23/30/736392330.db2.gz RADSGERLFBWIEI-KRWDZBQOSA-N 1 1 334.420 0.922 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCCC3)C2)nn1 ZINC000972501262 736427975 /nfs/dbraw/zinc/42/79/75/736427975.db2.gz NXLHVEXYCKINMY-AWEZNQCLSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCCC3)C2)nn1 ZINC000972501262 736427976 /nfs/dbraw/zinc/42/79/76/736427976.db2.gz NXLHVEXYCKINMY-AWEZNQCLSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCn3cncn3)C2)nn1 ZINC000972517270 736529108 /nfs/dbraw/zinc/52/91/08/736529108.db2.gz PBPSOFYUARPZEF-CQSZACIVSA-N 1 1 344.423 0.292 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972524687 736569747 /nfs/dbraw/zinc/56/97/47/736569747.db2.gz VOUPIUKHUUSFAT-KSSFIOAISA-N 1 1 343.431 0.551 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972524687 736569748 /nfs/dbraw/zinc/56/97/48/736569748.db2.gz VOUPIUKHUUSFAT-KSSFIOAISA-N 1 1 343.431 0.551 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972524685 736569813 /nfs/dbraw/zinc/56/98/13/736569813.db2.gz VOUPIUKHUUSFAT-KBXCAEBGSA-N 1 1 343.431 0.551 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972524685 736569814 /nfs/dbraw/zinc/56/98/14/736569814.db2.gz VOUPIUKHUUSFAT-KBXCAEBGSA-N 1 1 343.431 0.551 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001023277261 736638999 /nfs/dbraw/zinc/63/89/99/736638999.db2.gz LTHWAHHHZCSYAJ-GOEBONIOSA-N 1 1 345.447 0.947 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083259575 736650080 /nfs/dbraw/zinc/65/00/80/736650080.db2.gz IFQSFULGMPUISV-ZWKOTPCHSA-N 1 1 328.412 0.504 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001023296010 736655465 /nfs/dbraw/zinc/65/54/65/736655465.db2.gz MXOVFBLUKZBNJX-WFASDCNBSA-N 1 1 329.404 0.607 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)c[nH]1 ZINC001023319914 736680521 /nfs/dbraw/zinc/68/05/21/736680521.db2.gz IZJDUMWJBQNPEQ-AWEZNQCLSA-N 1 1 343.431 0.951 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001023320109 736680533 /nfs/dbraw/zinc/68/05/33/736680533.db2.gz RFGOSERZJRJHJG-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023365684 736739659 /nfs/dbraw/zinc/73/96/59/736739659.db2.gz JAOILBQLYQYUOP-HUUCEWRRSA-N 1 1 343.431 0.614 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2cocn2)C1 ZINC001059847060 751378751 /nfs/dbraw/zinc/37/87/51/751378751.db2.gz LOIWPSZDRSMQRD-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2cocn2)C1 ZINC001059847060 751378755 /nfs/dbraw/zinc/37/87/55/751378755.db2.gz LOIWPSZDRSMQRD-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001023445829 736843248 /nfs/dbraw/zinc/84/32/48/736843248.db2.gz BZOPOLPSPVFNQJ-GFCCVEGCSA-N 1 1 341.433 0.945 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)nc1 ZINC001067461542 736862786 /nfs/dbraw/zinc/86/27/86/736862786.db2.gz BODHHCASIOCYNJ-INIZCTEOSA-N 1 1 342.443 0.935 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001023509843 736932786 /nfs/dbraw/zinc/93/27/86/736932786.db2.gz AHEJCMPZPNJFBZ-CABCVRRESA-N 1 1 343.418 0.804 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001023512198 736939087 /nfs/dbraw/zinc/93/90/87/736939087.db2.gz IKYTWVFMJSOAKK-ZDUSSCGKSA-N 1 1 329.404 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972582153 736944560 /nfs/dbraw/zinc/94/45/60/736944560.db2.gz HRXOFTFGZKYGHH-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972582153 736944562 /nfs/dbraw/zinc/94/45/62/736944562.db2.gz HRXOFTFGZKYGHH-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3[nH]nnc3C)C2)C1=O ZINC001023524241 736959935 /nfs/dbraw/zinc/95/99/35/736959935.db2.gz ZMNKFAKLZSJUAK-UONOGXRCSA-N 1 1 346.435 0.342 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972584920 736964780 /nfs/dbraw/zinc/96/47/80/736964780.db2.gz CQVYFPRZENARFO-GOSISDBHSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972584920 736964783 /nfs/dbraw/zinc/96/47/83/736964783.db2.gz CQVYFPRZENARFO-GOSISDBHSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972586616 736976704 /nfs/dbraw/zinc/97/67/04/736976704.db2.gz ZNTPSZSNSPHZAC-APWZRJJASA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972586616 736976706 /nfs/dbraw/zinc/97/67/06/736976706.db2.gz ZNTPSZSNSPHZAC-APWZRJJASA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972586623 736977005 /nfs/dbraw/zinc/97/70/05/736977005.db2.gz ZNTPSZSNSPHZAC-VQIMIIECSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972586623 736977009 /nfs/dbraw/zinc/97/70/09/736977009.db2.gz ZNTPSZSNSPHZAC-VQIMIIECSA-N 1 1 347.459 0.572 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001023565609 737018363 /nfs/dbraw/zinc/01/83/63/737018363.db2.gz BKZDNKIJTRUTOC-BBRMVZONSA-N 1 1 341.415 0.568 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972595879 737032812 /nfs/dbraw/zinc/03/28/12/737032812.db2.gz GYDTXTFHWREAQD-XYJFISCASA-N 1 1 338.448 0.653 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972595879 737032816 /nfs/dbraw/zinc/03/28/16/737032816.db2.gz GYDTXTFHWREAQD-XYJFISCASA-N 1 1 338.448 0.653 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001023588945 737042600 /nfs/dbraw/zinc/04/26/00/737042600.db2.gz PCVIDZCUKVFISU-HNNXBMFYSA-N 1 1 344.459 0.988 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001023603719 737064530 /nfs/dbraw/zinc/06/45/30/737064530.db2.gz YUVPDHURWIHUFI-CQSZACIVSA-N 1 1 328.416 0.954 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccnnc3)C2)C1=O ZINC001023618914 737087757 /nfs/dbraw/zinc/08/77/57/737087757.db2.gz YFXRWZMDUZVWJC-GOEBONIOSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1=O ZINC000972618546 737110229 /nfs/dbraw/zinc/11/02/29/737110229.db2.gz JRJYCNNLJVDLIA-ZIAGYGMSSA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001023639379 737127327 /nfs/dbraw/zinc/12/73/27/737127327.db2.gz GZHIOZPGQGWMNS-HIFRSBDPSA-N 1 1 346.435 0.185 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972623723 737132170 /nfs/dbraw/zinc/13/21/70/737132170.db2.gz DISGZPAOSCKOKB-KRWDZBQOSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972623723 737132173 /nfs/dbraw/zinc/13/21/73/737132173.db2.gz DISGZPAOSCKOKB-KRWDZBQOSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001023645736 737137150 /nfs/dbraw/zinc/13/71/50/737137150.db2.gz AYBNLLJYSPNOPE-ZDUSSCGKSA-N 1 1 327.388 0.900 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cccnn3)C2)C1=O ZINC001023667888 737166957 /nfs/dbraw/zinc/16/69/57/737166957.db2.gz LCFQAOVPOKHQDJ-GDBMZVCRSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000972633286 737172740 /nfs/dbraw/zinc/17/27/40/737172740.db2.gz BCPCYCKXJYXYBO-MAUKXSAKSA-N 1 1 348.447 0.246 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000972633286 737172741 /nfs/dbraw/zinc/17/27/41/737172741.db2.gz BCPCYCKXJYXYBO-MAUKXSAKSA-N 1 1 348.447 0.246 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001023675645 737180889 /nfs/dbraw/zinc/18/08/89/737180889.db2.gz ZGPJDQVECGMJII-JKSUJKDBSA-N 1 1 345.447 0.780 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cn(CC)nn3)C2)C1=O ZINC000972636853 737187027 /nfs/dbraw/zinc/18/70/27/737187027.db2.gz WYZFRSLPOFOVGS-UKRRQHHQSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638852 737200960 /nfs/dbraw/zinc/20/09/60/737200960.db2.gz ODDYAXSKMVPOHF-KBXCAEBGSA-N 1 1 343.431 0.236 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638852 737200964 /nfs/dbraw/zinc/20/09/64/737200964.db2.gz ODDYAXSKMVPOHF-KBXCAEBGSA-N 1 1 343.431 0.236 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001023692839 737207294 /nfs/dbraw/zinc/20/72/94/737207294.db2.gz LYMVGQHRZGPXTO-ZDUSSCGKSA-N 1 1 332.404 0.574 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001023692839 737207297 /nfs/dbraw/zinc/20/72/97/737207297.db2.gz LYMVGQHRZGPXTO-ZDUSSCGKSA-N 1 1 332.404 0.574 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001023692517 737207372 /nfs/dbraw/zinc/20/73/72/737207372.db2.gz BKTPXMBKBXJIRL-KGLIPLIRSA-N 1 1 346.431 0.962 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)nc1 ZINC001023708973 737227600 /nfs/dbraw/zinc/22/76/00/737227600.db2.gz NTBDGTRTQRUPHL-DOTOQJQBSA-N 1 1 340.427 0.783 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972644282 737232849 /nfs/dbraw/zinc/23/28/49/737232849.db2.gz WLDKCLAWKUPVSU-WMZOPIPTSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972644282 737232854 /nfs/dbraw/zinc/23/28/54/737232854.db2.gz WLDKCLAWKUPVSU-WMZOPIPTSA-N 1 1 333.432 0.324 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@]2(C1)C[N@H+](C[C@@H](C)O)CCO2 ZINC000972653715 737260277 /nfs/dbraw/zinc/26/02/77/737260277.db2.gz KISLJVSVHNFTPD-UZLBHIALSA-N 1 1 342.439 0.895 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@]2(C1)C[N@@H+](C[C@@H](C)O)CCO2 ZINC000972653715 737260278 /nfs/dbraw/zinc/26/02/78/737260278.db2.gz KISLJVSVHNFTPD-UZLBHIALSA-N 1 1 342.439 0.895 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4cc[nH]c34)C2)C1 ZINC000972654009 737260627 /nfs/dbraw/zinc/26/06/27/737260627.db2.gz MDDVPUBIDXQRQX-KRWDZBQOSA-N 1 1 327.388 0.603 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4cc[nH]c34)C2)C1 ZINC000972654009 737260630 /nfs/dbraw/zinc/26/06/30/737260630.db2.gz MDDVPUBIDXQRQX-KRWDZBQOSA-N 1 1 327.388 0.603 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972655012 737262819 /nfs/dbraw/zinc/26/28/19/737262819.db2.gz ZUFWDLADBOCFSE-QFBILLFUSA-N 1 1 347.459 0.762 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972655012 737262823 /nfs/dbraw/zinc/26/28/23/737262823.db2.gz ZUFWDLADBOCFSE-QFBILLFUSA-N 1 1 347.459 0.762 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972657255 737266228 /nfs/dbraw/zinc/26/62/28/737266228.db2.gz YVGAJDQSZPAVFG-KRWDZBQOSA-N 1 1 334.420 0.922 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972659974 737272273 /nfs/dbraw/zinc/27/22/73/737272273.db2.gz QVNVNZQSBVLCEN-MAUKXSAKSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972659974 737272277 /nfs/dbraw/zinc/27/22/77/737272277.db2.gz QVNVNZQSBVLCEN-MAUKXSAKSA-N 1 1 333.432 0.324 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023763335 737325124 /nfs/dbraw/zinc/32/51/24/737325124.db2.gz JDSOLHXVRRJXDS-ZDUSSCGKSA-N 1 1 334.424 0.171 20 30 ECEDMO C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)CCCC(N)=O)CC1 ZINC001098581837 737325445 /nfs/dbraw/zinc/32/54/45/737325445.db2.gz DAMMVHOQPKDSFR-UHFFFAOYSA-N 1 1 325.453 0.894 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3[nH]cnc3C)C2)C1=O ZINC001023784675 737376692 /nfs/dbraw/zinc/37/66/92/737376692.db2.gz YAEBXTHLQTZLRU-CABCVRRESA-N 1 1 345.447 0.947 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972693014 737398510 /nfs/dbraw/zinc/39/85/10/737398510.db2.gz UNNTYEBQYGSIMC-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC000972694763 737406026 /nfs/dbraw/zinc/40/60/26/737406026.db2.gz AAUXYKQCRJSDDO-KGLIPLIRSA-N 1 1 344.415 0.681 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001023800771 737409419 /nfs/dbraw/zinc/40/94/19/737409419.db2.gz FISZQFCQZNLQQJ-CKEIUWERSA-N 1 1 334.420 0.482 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001023858201 737443470 /nfs/dbraw/zinc/44/34/70/737443470.db2.gz JOINRXNEIMHXKM-ZIAGYGMSSA-N 1 1 331.420 0.638 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001023872276 737452264 /nfs/dbraw/zinc/45/22/64/737452264.db2.gz BUEIDCJJRFFUTK-GJZGRUSLSA-N 1 1 345.447 0.947 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972705246 737505535 /nfs/dbraw/zinc/50/55/35/737505535.db2.gz SZBCYRKWZQFXMH-KRWDZBQOSA-N 1 1 331.420 0.074 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972705246 737505539 /nfs/dbraw/zinc/50/55/39/737505539.db2.gz SZBCYRKWZQFXMH-KRWDZBQOSA-N 1 1 331.420 0.074 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC000972718534 737544811 /nfs/dbraw/zinc/54/48/11/737544811.db2.gz MOHHKDQDXDPTOR-LLVKDONJSA-N 1 1 328.800 0.166 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC000972718534 737544812 /nfs/dbraw/zinc/54/48/12/737544812.db2.gz MOHHKDQDXDPTOR-LLVKDONJSA-N 1 1 328.800 0.166 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCCN(C)C3=O)C2)cn1 ZINC000972756479 737597347 /nfs/dbraw/zinc/59/73/47/737597347.db2.gz MPXSCYOFSOFVMW-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCN(CC)C3=O)C2)nc1 ZINC000972757033 737597974 /nfs/dbraw/zinc/59/79/74/737597974.db2.gz SLZWNKJTFHSECV-DOTOQJQBSA-N 1 1 340.427 0.830 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cn3cccn3)C(C)(C)C2)C1=O ZINC000972814392 737725150 /nfs/dbraw/zinc/72/51/50/737725150.db2.gz ULLGLZNPXDJABM-LSDHHAIUSA-N 1 1 345.447 0.497 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cn3cccn3)C(C)(C)C2)C1=O ZINC000972814392 737725152 /nfs/dbraw/zinc/72/51/52/737725152.db2.gz ULLGLZNPXDJABM-LSDHHAIUSA-N 1 1 345.447 0.497 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083265757 737755414 /nfs/dbraw/zinc/75/54/14/737755414.db2.gz PECGQMVXMIPMMJ-BMGDILEWSA-N 1 1 342.395 0.761 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CNCc3cnon3)C2)CC1 ZINC001024277911 737878294 /nfs/dbraw/zinc/87/82/94/737878294.db2.gz WOAGJWFYVWILNV-OAHLLOKOSA-N 1 1 345.447 0.743 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1 ZINC001098586205 737968956 /nfs/dbraw/zinc/96/89/56/737968956.db2.gz ACZZOUBIMYNJQK-OAHLLOKOSA-N 1 1 325.453 0.605 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001024438725 737975072 /nfs/dbraw/zinc/97/50/72/737975072.db2.gz VMPJZQUPNRNLDU-HUUCEWRRSA-N 1 1 343.431 0.757 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)[C@H]21 ZINC001087282079 738100285 /nfs/dbraw/zinc/10/02/85/738100285.db2.gz RBYLZPBQSPSVBM-KCXAZCMYSA-N 1 1 343.431 0.851 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001024558160 738105552 /nfs/dbraw/zinc/10/55/52/738105552.db2.gz GOGVBPSSPIAGAL-AWEZNQCLSA-N 1 1 326.404 0.971 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001024567655 738115796 /nfs/dbraw/zinc/11/57/96/738115796.db2.gz GQZDVIYBABZUFI-HIFRSBDPSA-N 1 1 329.404 0.360 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C(C)(C)[C@H]21 ZINC001087293753 738137009 /nfs/dbraw/zinc/13/70/09/738137009.db2.gz JOAXQQFFMYGBGQ-KCXAZCMYSA-N 1 1 346.431 0.740 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001024649696 738198820 /nfs/dbraw/zinc/19/88/20/738198820.db2.gz XJVOTKCPVOSQHX-CQSZACIVSA-N 1 1 330.432 0.741 20 30 ECEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001024702077 738230935 /nfs/dbraw/zinc/23/09/35/738230935.db2.gz YURUGIWWMLGKCM-UIORMTCPSA-N 1 1 334.420 0.521 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001024746290 738264179 /nfs/dbraw/zinc/26/41/79/738264179.db2.gz CPLBVLCJMDRLNE-LSDHHAIUSA-N 1 1 331.420 0.847 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001024746290 738264181 /nfs/dbraw/zinc/26/41/81/738264181.db2.gz CPLBVLCJMDRLNE-LSDHHAIUSA-N 1 1 331.420 0.847 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3cn(C)c(=O)n3C)C(C)(C)[C@H]21 ZINC001087320024 738293903 /nfs/dbraw/zinc/29/39/03/738293903.db2.gz XVGHYBUTIDOHEK-KBMXLJTQSA-N 1 1 344.459 0.966 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025241238 738905039 /nfs/dbraw/zinc/90/50/39/738905039.db2.gz VOOCSTGXKSMHIU-IRXDYDNUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025241537 738907374 /nfs/dbraw/zinc/90/73/74/738907374.db2.gz YDDSPJRHSIIRLY-JKSUJKDBSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCCNC1=O ZINC001025248456 738928175 /nfs/dbraw/zinc/92/81/75/738928175.db2.gz ZZSRLLFSOTUTMY-HOTGVXAUSA-N 1 1 332.448 0.880 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025259639 738944882 /nfs/dbraw/zinc/94/48/82/738944882.db2.gz SENRXNTVHNKOGF-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025279658 739001980 /nfs/dbraw/zinc/00/19/80/739001980.db2.gz FYUMNOWDFRLFRV-CABCVRRESA-N 1 1 346.431 0.407 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC000973285347 739048155 /nfs/dbraw/zinc/04/81/55/739048155.db2.gz QBBWQGDDRQBNFQ-XDQVBPFNSA-N 1 1 346.435 0.039 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000973289656 739053226 /nfs/dbraw/zinc/05/32/26/739053226.db2.gz MBWARRMQHPJUBV-RBSFLKMASA-N 1 1 326.400 0.392 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)COCCCOC)C2)nn1 ZINC001105359311 751412447 /nfs/dbraw/zinc/41/24/47/751412447.db2.gz BTHULUMTPNMNDT-UHFFFAOYSA-N 1 1 337.424 0.380 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)nn1 ZINC001028187282 751419498 /nfs/dbraw/zinc/41/94/98/751419498.db2.gz HKUKABFLUCKILF-AWEZNQCLSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)nn1 ZINC001028187282 751419501 /nfs/dbraw/zinc/41/95/01/751419501.db2.gz HKUKABFLUCKILF-AWEZNQCLSA-N 1 1 346.435 0.281 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC000973410751 739224276 /nfs/dbraw/zinc/22/42/76/739224276.db2.gz NMEXKLKYHICBOB-KKUMJFAQSA-N 1 1 344.415 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC000973410751 739224279 /nfs/dbraw/zinc/22/42/79/739224279.db2.gz NMEXKLKYHICBOB-KKUMJFAQSA-N 1 1 344.415 0.766 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CC([NH2+]Cc2nc(C)no2)C1 ZINC001100733073 739326805 /nfs/dbraw/zinc/32/68/05/739326805.db2.gz KVDHAIRLWWTLHR-NRXISQOPSA-N 1 1 349.435 0.833 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001078232309 782530827 /nfs/dbraw/zinc/53/08/27/782530827.db2.gz KTKNZSZTQSVCJS-JHJVBQTASA-N 1 1 335.370 0.751 20 30 ECEDMO C[C@@H](CNc1nccnc1C#N)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001104728023 739554345 /nfs/dbraw/zinc/55/43/45/739554345.db2.gz CRRHWOGRQIUCSW-NSHDSACASA-N 1 1 343.391 0.970 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001025460218 739575740 /nfs/dbraw/zinc/57/57/40/739575740.db2.gz XXNJADRBVBCJOZ-UONOGXRCSA-N 1 1 338.473 0.661 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC000973632949 739602547 /nfs/dbraw/zinc/60/25/47/739602547.db2.gz RQHJHVCNWSLUCC-PRTUASRFSA-N 1 1 329.404 0.989 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001025469145 739620000 /nfs/dbraw/zinc/62/00/00/739620000.db2.gz NODPXJAZQNIWEN-NEPJUHHUSA-N 1 1 341.433 0.943 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2O)C1 ZINC001025545717 739706614 /nfs/dbraw/zinc/70/66/14/739706614.db2.gz LVUROMOEMFBQJO-ZJIFWQFVSA-N 1 1 349.475 0.761 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001025605648 739770313 /nfs/dbraw/zinc/77/03/13/739770313.db2.gz KBTYECZKDPPIJW-KGLIPLIRSA-N 1 1 328.416 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)cc1 ZINC001087380020 739793874 /nfs/dbraw/zinc/79/38/74/739793874.db2.gz MWYSSTJIFRYUHV-MHORFTMASA-N 1 1 337.423 0.936 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)C1 ZINC001058656433 739832033 /nfs/dbraw/zinc/83/20/33/739832033.db2.gz CTVQCDXZMMHIRJ-LSDHHAIUSA-N 1 1 338.452 0.061 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001025683929 739858626 /nfs/dbraw/zinc/85/86/26/739858626.db2.gz UZVLSOXWHGFNMN-USXIJHARSA-N 1 1 349.475 0.905 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCCO2)C1=O ZINC001025692387 739869830 /nfs/dbraw/zinc/86/98/30/739869830.db2.gz HVJGXIKDBVUFNR-GAGVYUBLSA-N 1 1 333.432 0.389 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCCO2)C1=O ZINC001025692389 739869859 /nfs/dbraw/zinc/86/98/59/739869859.db2.gz HVJGXIKDBVUFNR-KSXIZUIISA-N 1 1 333.432 0.389 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCCO2)C1=O ZINC001025692386 739870074 /nfs/dbraw/zinc/87/00/74/739870074.db2.gz HVJGXIKDBVUFNR-DEQQHWRFSA-N 1 1 333.432 0.389 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)c2coc(COC)n2)CC1 ZINC001098515953 751493877 /nfs/dbraw/zinc/49/38/77/751493877.db2.gz NIDHDERCDLJQEL-UHFFFAOYSA-N 1 1 335.404 0.743 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC2CC2)C[C@H]1C(F)(F)F ZINC001112034456 740021394 /nfs/dbraw/zinc/02/13/94/740021394.db2.gz JVNSAGJVKODRJP-RAIGVLPGSA-N 1 1 345.365 0.903 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070002915 790300565 /nfs/dbraw/zinc/30/05/65/790300565.db2.gz ADUIFELAUVZTSL-OLZOCXBDSA-N 1 1 343.391 0.314 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070002915 790300571 /nfs/dbraw/zinc/30/05/71/790300571.db2.gz ADUIFELAUVZTSL-OLZOCXBDSA-N 1 1 343.391 0.314 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070007879 790309719 /nfs/dbraw/zinc/30/97/19/790309719.db2.gz FEPZYRLOURFWNA-CABCVRRESA-N 1 1 330.367 0.582 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070007879 790309723 /nfs/dbraw/zinc/30/97/23/790309723.db2.gz FEPZYRLOURFWNA-CABCVRRESA-N 1 1 330.367 0.582 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000988094191 751525344 /nfs/dbraw/zinc/52/53/44/751525344.db2.gz WTBSMZZEGGLFHV-DYEKYZERSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)n3nc(C)cc3C)[C@H]2C1 ZINC001083289214 740316084 /nfs/dbraw/zinc/31/60/84/740316084.db2.gz YSMUBAINLSANMH-YESZJQIVSA-N 1 1 330.432 0.996 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCOC)nn1 ZINC001087392358 740409884 /nfs/dbraw/zinc/40/98/84/740409884.db2.gz GLBMJZFRQPNAFN-MPTYRVRUSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059856591 751553330 /nfs/dbraw/zinc/55/33/30/751553330.db2.gz UHPXBPVPLDXZIF-IXDOHACOSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059856591 751553331 /nfs/dbraw/zinc/55/33/31/751553331.db2.gz UHPXBPVPLDXZIF-IXDOHACOSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC000982069540 751560649 /nfs/dbraw/zinc/56/06/49/751560649.db2.gz CWSXZRVMTFVBHA-UHFFFAOYSA-N 1 1 339.823 0.716 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC000982069540 751560653 /nfs/dbraw/zinc/56/06/53/751560653.db2.gz CWSXZRVMTFVBHA-UHFFFAOYSA-N 1 1 339.823 0.716 20 30 ECEDMO CN(CCCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001112055890 740673040 /nfs/dbraw/zinc/67/30/40/740673040.db2.gz XSZWVOFSNDWRAS-HNNXBMFYSA-N 1 1 331.420 0.569 20 30 ECEDMO CN(CCCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001112055890 740673044 /nfs/dbraw/zinc/67/30/44/740673044.db2.gz XSZWVOFSNDWRAS-HNNXBMFYSA-N 1 1 331.420 0.569 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104862696 740749473 /nfs/dbraw/zinc/74/94/73/740749473.db2.gz PQFVQAGCKBPTMA-KBPBESRZSA-N 1 1 326.404 0.127 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104862696 740749475 /nfs/dbraw/zinc/74/94/75/740749475.db2.gz PQFVQAGCKBPTMA-KBPBESRZSA-N 1 1 326.404 0.127 20 30 ECEDMO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001104871059 740772461 /nfs/dbraw/zinc/77/24/61/740772461.db2.gz HVRCOHVJDRTMGJ-IJLUTSLNSA-N 1 1 325.376 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC000974034023 740809983 /nfs/dbraw/zinc/80/99/83/740809983.db2.gz BXIKJVSRSIUULG-NXOAAHMSSA-N 1 1 342.443 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC000974034023 740809987 /nfs/dbraw/zinc/80/99/87/740809987.db2.gz BXIKJVSRSIUULG-NXOAAHMSSA-N 1 1 342.443 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000974053522 740853857 /nfs/dbraw/zinc/85/38/57/740853857.db2.gz JUPQFUNEEJWBEV-LZWOXQAQSA-N 1 1 339.399 0.361 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000974053522 740853859 /nfs/dbraw/zinc/85/38/59/740853859.db2.gz JUPQFUNEEJWBEV-LZWOXQAQSA-N 1 1 339.399 0.361 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000974057025 740855702 /nfs/dbraw/zinc/85/57/02/740855702.db2.gz VHRHZSQMWOWNQY-XHSDSOJGSA-N 1 1 331.416 0.194 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000974057025 740855706 /nfs/dbraw/zinc/85/57/06/740855706.db2.gz VHRHZSQMWOWNQY-XHSDSOJGSA-N 1 1 331.416 0.194 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC000974072692 740892310 /nfs/dbraw/zinc/89/23/10/740892310.db2.gz RFXRYJWPVOSLQI-GUTXKFCHSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC000974072692 740892314 /nfs/dbraw/zinc/89/23/14/740892314.db2.gz RFXRYJWPVOSLQI-GUTXKFCHSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC000982107254 751599489 /nfs/dbraw/zinc/59/94/89/751599489.db2.gz GKILWDNDNGNMDU-OAHLLOKOSA-N 1 1 343.431 0.801 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000974211992 741112260 /nfs/dbraw/zinc/11/22/60/741112260.db2.gz BNTAXTRFDUYMNF-QXSJWSMHSA-N 1 1 347.459 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC000974266031 741198721 /nfs/dbraw/zinc/19/87/21/741198721.db2.gz VGWWZDZPCCUAKU-ZNMIVQPWSA-N 1 1 343.431 0.501 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC000974266031 741198724 /nfs/dbraw/zinc/19/87/24/741198724.db2.gz VGWWZDZPCCUAKU-ZNMIVQPWSA-N 1 1 343.431 0.501 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC000974316092 741300614 /nfs/dbraw/zinc/30/06/14/741300614.db2.gz ODQOPNPCNZOKDQ-IYBDPMFKSA-N 1 1 337.383 0.645 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)COC)nn2)C1 ZINC001105223615 741500302 /nfs/dbraw/zinc/50/03/02/741500302.db2.gz AORIPWZOALWROM-MLGOLLRUSA-N 1 1 337.424 0.113 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3[nH]ccc3C)C2)nn1 ZINC001105225261 741506604 /nfs/dbraw/zinc/50/66/04/741506604.db2.gz OIOMWZSBOOYMEL-UHFFFAOYSA-N 1 1 344.419 0.904 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240456 741531447 /nfs/dbraw/zinc/53/14/47/741531447.db2.gz NQQXZSJOJPQCHX-ZFWWWQNUSA-N 1 1 343.435 0.149 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CO[C@@H]3CCOC3)C2)nn1 ZINC001105238408 741532867 /nfs/dbraw/zinc/53/28/67/741532867.db2.gz YKEXHWSSIOBVQY-OAHLLOKOSA-N 1 1 335.408 0.133 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4n(n3)CCC4)C2)nn1 ZINC001105254179 741566408 /nfs/dbraw/zinc/56/64/08/741566408.db2.gz RWRVPFBZCVRRRO-UHFFFAOYSA-N 1 1 327.392 0.394 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259765 741585810 /nfs/dbraw/zinc/58/58/10/741585810.db2.gz LQQWTXHKTYDYIX-INIZCTEOSA-N 1 1 330.436 0.115 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3ccsn3)C2)nn1 ZINC001105266565 741604378 /nfs/dbraw/zinc/60/43/78/741604378.db2.gz YWOQKRSNIAMZJS-UHFFFAOYSA-N 1 1 348.432 0.724 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001105276462 741629498 /nfs/dbraw/zinc/62/94/98/741629498.db2.gz JRBFGULZOTWASH-UHFFFAOYSA-N 1 1 342.447 0.403 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCCCNC(N)=O)C2)nn1 ZINC001105278537 741633644 /nfs/dbraw/zinc/63/36/44/741633644.db2.gz ILGCWVSEWVZFKR-UHFFFAOYSA-N 1 1 349.439 0.166 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cncnc3)C2)nn1 ZINC001105281066 741639812 /nfs/dbraw/zinc/63/98/12/741639812.db2.gz RXCVKYRBGCFBEI-UHFFFAOYSA-N 1 1 327.392 0.360 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N[C@H](CC)C3)C2)nn1 ZINC001105290824 741652562 /nfs/dbraw/zinc/65/25/62/741652562.db2.gz YXBBOMIVWHCJGB-QWHCGFSZSA-N 1 1 346.435 0.242 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CCn3cncn3)nn2)C1 ZINC001105297548 741675147 /nfs/dbraw/zinc/67/51/47/741675147.db2.gz QJFCEWUBGBHVQT-UHFFFAOYSA-N 1 1 344.423 0.255 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1nccnc1C#N)C(C)C ZINC001105301713 741692660 /nfs/dbraw/zinc/69/26/60/741692660.db2.gz VNTJJEDUHIGEOF-CVEARBPZSA-N 1 1 340.431 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1nccnc1C#N)C(C)C ZINC001105301713 741692662 /nfs/dbraw/zinc/69/26/62/741692662.db2.gz VNTJJEDUHIGEOF-CVEARBPZSA-N 1 1 340.431 0.999 20 30 ECEDMO C=CCCC1(C(=O)N(CCO)CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001058729971 741738403 /nfs/dbraw/zinc/73/84/03/741738403.db2.gz ZCBNJULWZSSIDV-UHFFFAOYSA-N 1 1 348.447 0.875 20 30 ECEDMO CC1(C)C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470531 741775460 /nfs/dbraw/zinc/77/54/60/741775460.db2.gz AUGCWCJVWPEOKJ-CHWSQXEVSA-N 1 1 343.387 0.132 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470531 741775464 /nfs/dbraw/zinc/77/54/64/741775464.db2.gz AUGCWCJVWPEOKJ-CHWSQXEVSA-N 1 1 343.387 0.132 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@H](C)OC)nn2)C1 ZINC001105328630 741822185 /nfs/dbraw/zinc/82/21/85/741822185.db2.gz NJYOKVUNLXULCZ-MAZHCROVSA-N 1 1 349.435 0.377 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)nn1 ZINC001105328641 741823210 /nfs/dbraw/zinc/82/32/10/741823210.db2.gz OKYGTFZWZWTWCS-UHFFFAOYSA-N 1 1 346.479 0.752 20 30 ECEDMO COCc1noc(C[NH2+]C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001026794737 741840141 /nfs/dbraw/zinc/84/01/41/741840141.db2.gz PAQARUZYXFMDSC-LLVKDONJSA-N 1 1 344.375 0.668 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC000982176065 751675328 /nfs/dbraw/zinc/67/53/28/751675328.db2.gz BBRIWQWTMVNHBQ-GFCCVEGCSA-N 1 1 339.823 0.716 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC000982176065 751675334 /nfs/dbraw/zinc/67/53/34/751675334.db2.gz BBRIWQWTMVNHBQ-GFCCVEGCSA-N 1 1 339.823 0.716 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)CC1(C)C ZINC000974586332 741923549 /nfs/dbraw/zinc/92/35/49/741923549.db2.gz DLXUJDLIUMSXRJ-QLFBSQMISA-N 1 1 337.464 0.882 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)CC1(C)C ZINC000974586332 741923551 /nfs/dbraw/zinc/92/35/51/741923551.db2.gz DLXUJDLIUMSXRJ-QLFBSQMISA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC)NC(C)=O)C2)nn1 ZINC001105333669 741984956 /nfs/dbraw/zinc/98/49/56/741984956.db2.gz MZPVRIQDQSMMKC-HNNXBMFYSA-N 1 1 334.424 0.242 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000974791337 742194837 /nfs/dbraw/zinc/19/48/37/742194837.db2.gz PFEURHOZMPCZOQ-OAHLLOKOSA-N 1 1 346.431 0.353 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000974853733 742262271 /nfs/dbraw/zinc/26/22/71/742262271.db2.gz AQHPKCOUMWOGNH-AWEZNQCLSA-N 1 1 325.376 0.131 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000974853733 742262273 /nfs/dbraw/zinc/26/22/73/742262273.db2.gz AQHPKCOUMWOGNH-AWEZNQCLSA-N 1 1 325.376 0.131 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000974853762 742262578 /nfs/dbraw/zinc/26/25/78/742262578.db2.gz AQJIXQUDBLZRGM-OAHLLOKOSA-N 1 1 341.415 0.795 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000974853762 742262582 /nfs/dbraw/zinc/26/25/82/742262582.db2.gz AQJIXQUDBLZRGM-OAHLLOKOSA-N 1 1 341.415 0.795 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000974888216 742306726 /nfs/dbraw/zinc/30/67/26/742306726.db2.gz DZLMTWVQPOZQHP-LBPRGKRZSA-N 1 1 344.423 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2nccs2)C1 ZINC001006717556 751720502 /nfs/dbraw/zinc/72/05/02/751720502.db2.gz BULVBVURGJURCJ-OCCSQVGLSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2nccs2)C1 ZINC001006717556 751720505 /nfs/dbraw/zinc/72/05/05/751720505.db2.gz BULVBVURGJURCJ-OCCSQVGLSA-N 1 1 346.456 0.817 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC000974984082 742432984 /nfs/dbraw/zinc/43/29/84/742432984.db2.gz AIXOAVOHJPQCSK-YWPYICTPSA-N 1 1 345.403 0.569 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)OCCOC)C2)nn1 ZINC001105337296 742458586 /nfs/dbraw/zinc/45/85/86/742458586.db2.gz YVHTWHDEYKSHDA-ZDUSSCGKSA-N 1 1 337.424 0.379 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 ZINC000975109781 742491907 /nfs/dbraw/zinc/49/19/07/742491907.db2.gz GCQLNUZYMLFOSR-CYBMUJFWSA-N 1 1 334.420 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2cnon2)C1 ZINC000988262705 751740399 /nfs/dbraw/zinc/74/03/99/751740399.db2.gz XSWUMMGUKBDHTC-HIFRSBDPSA-N 1 1 345.403 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2cnon2)C1 ZINC000988262705 751740400 /nfs/dbraw/zinc/74/04/00/751740400.db2.gz XSWUMMGUKBDHTC-HIFRSBDPSA-N 1 1 345.403 0.088 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3noc(CC)n3)C2)nn1 ZINC001027111223 742598498 /nfs/dbraw/zinc/59/84/98/742598498.db2.gz ZONOEPRJLZUZFJ-LBPRGKRZSA-N 1 1 345.407 0.661 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001027116459 742609991 /nfs/dbraw/zinc/60/99/91/742609991.db2.gz BPKMXQTUMQQVFG-IPYPFGDCSA-N 1 1 334.424 0.129 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001028926526 742871228 /nfs/dbraw/zinc/87/12/28/742871228.db2.gz OJMMTRKUKBHJMH-LLVKDONJSA-N 1 1 336.392 0.914 20 30 ECEDMO C#CCN1CC[NH+](C2CCC(NC(=O)CN3CCCC3)CC2)CC1 ZINC000996803971 742894776 /nfs/dbraw/zinc/89/47/76/742894776.db2.gz VVPWSJLPKQVRKT-UHFFFAOYSA-N 1 1 332.492 0.760 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC001028935951 742917002 /nfs/dbraw/zinc/91/70/02/742917002.db2.gz NQQWOLCSSLEFKQ-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1ncc(-c2ccccc2)o1 ZINC001125998458 743170225 /nfs/dbraw/zinc/17/02/25/743170225.db2.gz RHBYKOQVUFUEKM-UHFFFAOYSA-N 1 1 340.383 0.687 20 30 ECEDMO CC[NH+]=C(NC[C@H](C)N1CCN(C)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261959022 743182872 /nfs/dbraw/zinc/18/28/72/743182872.db2.gz JRBMKVJNQJTZJQ-FUHWJXTLSA-N 1 1 337.512 0.700 20 30 ECEDMO C[NH+]=C(NCc1nnc2n1CCCC2)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261968297 743197258 /nfs/dbraw/zinc/19/72/58/743197258.db2.gz MAJYWUNBLWLMOO-GXTWGEPZSA-N 1 1 331.468 0.762 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)c1 ZINC001020567550 751802342 /nfs/dbraw/zinc/80/23/42/751802342.db2.gz HKFONGUDJSBMNO-HDJSIYSDSA-N 1 1 340.387 0.563 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)cn1 ZINC000997104618 743241675 /nfs/dbraw/zinc/24/16/75/743241675.db2.gz VVVYNNIIIMUOEL-OKILXGFUSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001027234399 743247044 /nfs/dbraw/zinc/24/70/44/743247044.db2.gz VUUSZFMVRRJUFN-NVXWUHKLSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2sccc2OC)C1 ZINC000997207148 743351569 /nfs/dbraw/zinc/35/15/69/743351569.db2.gz BZASAOJJMJBTGM-ZDUSSCGKSA-N 1 1 347.440 0.795 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2sccc2OC)C1 ZINC000997207148 743351578 /nfs/dbraw/zinc/35/15/78/743351578.db2.gz BZASAOJJMJBTGM-ZDUSSCGKSA-N 1 1 347.440 0.795 20 30 ECEDMO C=CCCOCC(=O)N1CC(n2cc(C[NH2+]CCOCC)nn2)C1 ZINC001105380961 743436551 /nfs/dbraw/zinc/43/65/51/743436551.db2.gz KDFJEARUJKWKCK-UHFFFAOYSA-N 1 1 337.424 0.380 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnn(C)c3)C2)C1=O ZINC001027291900 743471737 /nfs/dbraw/zinc/47/17/37/743471737.db2.gz YXUZDNWXLFRCAH-HOTGVXAUSA-N 1 1 345.447 0.743 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)C1 ZINC001020584841 751836548 /nfs/dbraw/zinc/83/65/48/751836548.db2.gz URXBGLLTKZCEIX-XEZPLFJOSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)o1 ZINC000976112531 743554847 /nfs/dbraw/zinc/55/48/47/743554847.db2.gz PGGLKTSTRTVKCU-QSJFSLAZSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)o1 ZINC000976112531 743554848 /nfs/dbraw/zinc/55/48/48/743554848.db2.gz PGGLKTSTRTVKCU-QSJFSLAZSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(F)F ZINC000976117550 743560299 /nfs/dbraw/zinc/56/02/99/743560299.db2.gz OQOUZKIHTONCBG-UPJWGTAASA-N 1 1 327.375 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(F)F ZINC000976117550 743560302 /nfs/dbraw/zinc/56/03/02/743560302.db2.gz OQOUZKIHTONCBG-UPJWGTAASA-N 1 1 327.375 0.893 20 30 ECEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)C[N@H+]([C@H]1CCCNC1=O)C2 ZINC000982278667 751850622 /nfs/dbraw/zinc/85/06/22/751850622.db2.gz NMMFWCMLSOAYAY-ZYSHUDEJSA-N 1 1 329.444 0.849 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976323439 743815026 /nfs/dbraw/zinc/81/50/26/743815026.db2.gz NNENKKHBVQMXEP-HVOFVXBASA-N 1 1 341.415 0.557 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001059872706 751869377 /nfs/dbraw/zinc/86/93/77/751869377.db2.gz GLLTUNJXKKKRJX-NRWUCQMLSA-N 1 1 330.392 0.126 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001059872706 751869388 /nfs/dbraw/zinc/86/93/88/751869388.db2.gz GLLTUNJXKKKRJX-NRWUCQMLSA-N 1 1 330.392 0.126 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000997871718 743861118 /nfs/dbraw/zinc/86/11/18/743861118.db2.gz RCRCRHRWCWAVRK-WCQYABFASA-N 1 1 349.884 0.647 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)c1 ZINC000976358539 743872502 /nfs/dbraw/zinc/87/25/02/743872502.db2.gz FFXVYKXNNPRGTJ-VVLHAWIVSA-N 1 1 340.427 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)c1 ZINC000976358539 743872506 /nfs/dbraw/zinc/87/25/06/743872506.db2.gz FFXVYKXNNPRGTJ-VVLHAWIVSA-N 1 1 340.427 0.309 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000998158454 744014654 /nfs/dbraw/zinc/01/46/54/744014654.db2.gz ZBWBRQGGQADTHQ-HNNXBMFYSA-N 1 1 333.432 0.766 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC)C1 ZINC001058771070 744064584 /nfs/dbraw/zinc/06/45/84/744064584.db2.gz PRRAAMQUXFSFLQ-UHFFFAOYSA-N 1 1 325.453 0.622 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)nc1 ZINC000976540875 744081483 /nfs/dbraw/zinc/08/14/83/744081483.db2.gz OVCRNJKZMQOQRO-LJIGWXMPSA-N 1 1 338.411 0.201 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982291236 751887395 /nfs/dbraw/zinc/88/73/95/751887395.db2.gz KXZWDAXXXZGUSL-ZOCIIQOWSA-N 1 1 345.443 0.718 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000976674877 744185501 /nfs/dbraw/zinc/18/55/01/744185501.db2.gz LNVIOSWKIYRAEW-VVSAWPALSA-N 1 1 327.388 0.493 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 ZINC000976676275 744187699 /nfs/dbraw/zinc/18/76/99/744187699.db2.gz SWAWPIFZRPMWDW-NMNMXBMNSA-N 1 1 332.448 0.982 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]32)C1 ZINC000976670351 744203406 /nfs/dbraw/zinc/20/34/06/744203406.db2.gz KBQVEUTXTLGHQD-LEOABGAYSA-N 1 1 332.448 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(C)CCC3)C[C@H]21 ZINC000976735673 744260354 /nfs/dbraw/zinc/26/03/54/744260354.db2.gz KHVDODHNCXGJLA-XUWVNRHRSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(C)CCC3)C[C@H]21 ZINC000976735673 744260357 /nfs/dbraw/zinc/26/03/57/744260357.db2.gz KHVDODHNCXGJLA-XUWVNRHRSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)C3CC3)C[C@H]21 ZINC000976739052 744264899 /nfs/dbraw/zinc/26/48/99/744264899.db2.gz HHWBMNOQKCOHKZ-BTYMGIQYSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)C3CC3)C[C@H]21 ZINC000976739052 744264903 /nfs/dbraw/zinc/26/49/03/744264903.db2.gz HHWBMNOQKCOHKZ-BTYMGIQYSA-N 1 1 329.444 0.703 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000976763887 744304930 /nfs/dbraw/zinc/30/49/30/744304930.db2.gz VSZHSZCCXCEOHT-DOEOUOAPSA-N 1 1 341.455 0.990 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001006859020 751909796 /nfs/dbraw/zinc/90/97/96/751909796.db2.gz VSOAKZUIJNOTQN-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001006859020 751909803 /nfs/dbraw/zinc/90/98/03/751909803.db2.gz VSOAKZUIJNOTQN-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001006859021 751909963 /nfs/dbraw/zinc/90/99/63/751909963.db2.gz VSOAKZUIJNOTQN-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001006859021 751909969 /nfs/dbraw/zinc/90/99/69/751909969.db2.gz VSOAKZUIJNOTQN-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC23CC3)[C@H]1C ZINC001020628887 751915065 /nfs/dbraw/zinc/91/50/65/751915065.db2.gz VXZLSTMCVDEOEO-FZKCQIBNSA-N 1 1 329.444 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC23CC3)[C@H]1C ZINC001020628887 751915068 /nfs/dbraw/zinc/91/50/68/751915068.db2.gz VXZLSTMCVDEOEO-FZKCQIBNSA-N 1 1 329.444 0.990 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027446294 744484325 /nfs/dbraw/zinc/48/43/25/744484325.db2.gz FHXSEZNMEACCRC-SJORKVTESA-N 1 1 344.463 0.299 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]32)C1 ZINC000977020362 744573510 /nfs/dbraw/zinc/57/35/10/744573510.db2.gz IHOLTPCWICSRQZ-LEOABGAYSA-N 1 1 332.448 0.841 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000999317020 744621625 /nfs/dbraw/zinc/62/16/25/744621625.db2.gz NDHUOWGPGRXJGE-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC(=C)C)NC(C)=O)C2)nn1 ZINC001105339829 744728144 /nfs/dbraw/zinc/72/81/44/744728144.db2.gz YLIDLHZUZQJRRO-MRXNPFEDSA-N 1 1 346.435 0.408 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999524427 744738224 /nfs/dbraw/zinc/73/82/24/744738224.db2.gz RKLUCSYLWBQLIA-UJJWPFCGSA-N 1 1 348.451 0.660 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000977206333 744766547 /nfs/dbraw/zinc/76/65/47/744766547.db2.gz CZFLRHRNVUXBOV-ICELYOSQSA-N 1 1 347.459 0.492 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000977199021 744774988 /nfs/dbraw/zinc/77/49/88/744774988.db2.gz JAHBJOYVIMJUKX-HWWDLCQESA-N 1 1 329.444 0.705 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000977209059 744780903 /nfs/dbraw/zinc/78/09/03/744780903.db2.gz OTSYSMGRIGXNNY-DOCVPZNWSA-N 1 1 341.415 0.271 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC000977217496 744796848 /nfs/dbraw/zinc/79/68/48/744796848.db2.gz OBMZOXUWPIQBEA-ICELYOSQSA-N 1 1 347.459 0.492 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977275399 744829531 /nfs/dbraw/zinc/82/95/31/744829531.db2.gz VVQLBKZNXPNXOZ-DGCLKSJQSA-N 1 1 334.424 0.039 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977275399 744829535 /nfs/dbraw/zinc/82/95/35/744829535.db2.gz VVQLBKZNXPNXOZ-DGCLKSJQSA-N 1 1 334.424 0.039 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3csnn3)C2)C1=O ZINC001027510154 744889853 /nfs/dbraw/zinc/88/98/53/744889853.db2.gz QJDCKHBRLNGRLC-OCCSQVGLSA-N 1 1 349.460 0.861 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C(C)(C)C1 ZINC000977375914 744901888 /nfs/dbraw/zinc/90/18/88/744901888.db2.gz GILAWUNYMDNRTA-HNNXBMFYSA-N 1 1 330.432 0.710 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3ncn(C)c3=O)C[C@@]2(C)C1 ZINC000982321616 751958743 /nfs/dbraw/zinc/95/87/43/751958743.db2.gz MHCHMYCCFCJUGL-HDICACEKSA-N 1 1 347.463 0.718 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C)Cc2cnc[nH]2)C1=O ZINC001167979774 744976423 /nfs/dbraw/zinc/97/64/23/744976423.db2.gz XDBFYNLCKDJLLY-DZGCQCFKSA-N 1 1 333.436 0.471 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3COC(=O)C3)[C@@H](O)C2)c1 ZINC001083406736 744988754 /nfs/dbraw/zinc/98/87/54/744988754.db2.gz UBZDTYDCLZLDAP-XHSDSOJGSA-N 1 1 343.383 0.173 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3COC(=O)C3)[C@@H](O)C2)c1 ZINC001083406736 744988757 /nfs/dbraw/zinc/98/87/57/744988757.db2.gz UBZDTYDCLZLDAP-XHSDSOJGSA-N 1 1 343.383 0.173 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977442698 744994678 /nfs/dbraw/zinc/99/46/78/744994678.db2.gz XEIFRSDBKBDRCG-ZFWWWQNUSA-N 1 1 331.420 0.703 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977442698 744994682 /nfs/dbraw/zinc/99/46/82/744994682.db2.gz XEIFRSDBKBDRCG-ZFWWWQNUSA-N 1 1 331.420 0.703 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC000999891625 745018474 /nfs/dbraw/zinc/01/84/74/745018474.db2.gz NVMOHXGTDXUWQZ-MLGOLLRUSA-N 1 1 326.400 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000999891624 745018563 /nfs/dbraw/zinc/01/85/63/745018563.db2.gz NVMOHXGTDXUWQZ-LRDDRELGSA-N 1 1 326.400 0.201 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnsn3)nn2)C1 ZINC000999956755 745097084 /nfs/dbraw/zinc/09/70/84/745097084.db2.gz RWZZVYAPRAQNJG-GFCCVEGCSA-N 1 1 331.405 0.330 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999961201 745103865 /nfs/dbraw/zinc/10/38/65/745103865.db2.gz IHGIIRNLPCHRIU-HZPDHXFCSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999961201 745103868 /nfs/dbraw/zinc/10/38/68/745103868.db2.gz IHGIIRNLPCHRIU-HZPDHXFCSA-N 1 1 330.436 0.259 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@H]3CCNC3=O)CC2(C)C)cn1 ZINC000977520990 745110024 /nfs/dbraw/zinc/11/00/24/745110024.db2.gz CYHBNGOQCCJDBG-GJZGRUSLSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCNC3=O)CC2(C)C)cn1 ZINC000977520990 745110026 /nfs/dbraw/zinc/11/00/26/745110026.db2.gz CYHBNGOQCCJDBG-GJZGRUSLSA-N 1 1 326.400 0.392 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nnn(C)c3C)nn2)C1 ZINC000999969383 745115164 /nfs/dbraw/zinc/11/51/64/745115164.db2.gz BNFOJPGOCCTECO-CQSZACIVSA-N 1 1 344.423 0.468 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCCO3)nn2)C1 ZINC000999976837 745125665 /nfs/dbraw/zinc/12/56/65/745125665.db2.gz XBHQOBGCVTZPHG-HZPDHXFCSA-N 1 1 331.420 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnn3CCC)nn2)C1 ZINC000999986248 745140161 /nfs/dbraw/zinc/14/01/61/745140161.db2.gz GMYLORWGSQCQPT-OAHLLOKOSA-N 1 1 341.419 0.695 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 ZINC000999987515 745142926 /nfs/dbraw/zinc/14/29/26/745142926.db2.gz OWHDTLMHZMTLLI-JKSUJKDBSA-N 1 1 345.451 0.539 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCO[C@H]3C=C)nn2)C1 ZINC000999988097 745143416 /nfs/dbraw/zinc/14/34/16/745143416.db2.gz SQBRUDQYOXLSED-ZACQAIPSSA-N 1 1 343.431 0.756 20 30 ECEDMO CC#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999988348 745144375 /nfs/dbraw/zinc/14/43/75/745144375.db2.gz UDEZLMLNQGAVHT-HYVNUMGLSA-N 1 1 344.463 0.505 20 30 ECEDMO CC#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999988348 745144379 /nfs/dbraw/zinc/14/43/79/745144379.db2.gz UDEZLMLNQGAVHT-HYVNUMGLSA-N 1 1 344.463 0.505 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)nc3CC)nn2)C1 ZINC000999991887 745149499 /nfs/dbraw/zinc/14/94/99/745149499.db2.gz MEXWIMGRWQNLHV-AWEZNQCLSA-N 1 1 343.435 0.937 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999996945 745156926 /nfs/dbraw/zinc/15/69/26/745156926.db2.gz KKDJGQJWFZANMX-SJORKVTESA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999996945 745156929 /nfs/dbraw/zinc/15/69/29/745156929.db2.gz KKDJGQJWFZANMX-SJORKVTESA-N 1 1 344.463 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3onc(C)c3C)nn2)C1 ZINC000999998487 745159078 /nfs/dbraw/zinc/15/90/78/745159078.db2.gz SPPFKYGSDGCLCG-CQSZACIVSA-N 1 1 328.376 0.693 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001000023237 745194533 /nfs/dbraw/zinc/19/45/33/745194533.db2.gz XJDPNOUCFXKYQM-OAGGEKHMSA-N 1 1 335.448 0.777 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[C@H]3C(N)=O)nn2)C1 ZINC001000025071 745195862 /nfs/dbraw/zinc/19/58/62/745195862.db2.gz NUCQFJJQXNDRIV-ZNMIVQPWSA-N 1 1 346.435 0.229 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C(N)=O)c[nH]3)nn2)C1 ZINC001000026479 745198868 /nfs/dbraw/zinc/19/88/68/745198868.db2.gz ARXCGIIMTXOCSW-CYBMUJFWSA-N 1 1 343.391 0.068 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001000029947 745203608 /nfs/dbraw/zinc/20/36/08/745203608.db2.gz PHGOVKSIUIGWCK-CQSZACIVSA-N 1 1 325.376 0.268 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3oncc3C)nn2)C1 ZINC001000032508 745206850 /nfs/dbraw/zinc/20/68/50/745206850.db2.gz CTCUBQKFZJSQII-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(=O)[nH]c3)nn2)C1 ZINC001000035453 745210989 /nfs/dbraw/zinc/21/09/89/745210989.db2.gz NKOANSHEESOHAM-HNNXBMFYSA-N 1 1 340.387 0.579 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(CC)cn3)nn2)C1 ZINC001000035605 745211997 /nfs/dbraw/zinc/21/19/97/745211997.db2.gz PAWADDMRPYHOPN-HNNXBMFYSA-N 1 1 341.419 0.695 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3conc3COC)nn2)C1 ZINC001000035610 745212217 /nfs/dbraw/zinc/21/22/17/745212217.db2.gz PGUKZJGFGFGXNW-CYBMUJFWSA-N 1 1 346.391 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccc4[nH]cnc43)nn2)C1 ZINC001000037392 745215479 /nfs/dbraw/zinc/21/54/79/745215479.db2.gz REWWFLXSUCQNQS-AWEZNQCLSA-N 1 1 349.398 0.964 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(C(N)=O)c3)nn2)C1 ZINC001000046789 745227865 /nfs/dbraw/zinc/22/78/65/745227865.db2.gz VENNJWBOQLEIKO-CYBMUJFWSA-N 1 1 343.391 0.068 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc3nccc(C)n3n2)C(C)(C)C1 ZINC000977587247 745247926 /nfs/dbraw/zinc/24/79/26/745247926.db2.gz OSJKMGHGGSZCSI-CYBMUJFWSA-N 1 1 326.404 0.896 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc3nccc(C)n3n2)C(C)(C)C1 ZINC000977587247 745247932 /nfs/dbraw/zinc/24/79/32/745247932.db2.gz OSJKMGHGGSZCSI-CYBMUJFWSA-N 1 1 326.404 0.896 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000977588087 745248775 /nfs/dbraw/zinc/24/87/75/745248775.db2.gz LXBGHEWOSIFOCN-CQSZACIVSA-N 1 1 343.493 0.120 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3cnoc3)C2)C1=O ZINC001027541513 745249358 /nfs/dbraw/zinc/24/93/58/745249358.db2.gz TUXMXGOMVOEEIQ-CVEARBPZSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4n[nH]cc4C)[C@@H]3C2)C1=O ZINC001075774584 745249715 /nfs/dbraw/zinc/24/97/15/745249715.db2.gz HGRNCRCZDHAZTR-SOUVJXGZSA-N 1 1 343.431 0.651 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087497473 745257309 /nfs/dbraw/zinc/25/73/09/745257309.db2.gz QOXPXNCQNCOLBB-DLBZAZTESA-N 1 1 338.415 0.694 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1coc(C)n1 ZINC000977616983 745275905 /nfs/dbraw/zinc/27/59/05/745275905.db2.gz KABAPEALTYNOOV-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1coc(C)n1 ZINC000977616983 745275910 /nfs/dbraw/zinc/27/59/10/745275910.db2.gz KABAPEALTYNOOV-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC000983870342 745413909 /nfs/dbraw/zinc/41/39/09/745413909.db2.gz BNNKUBQRXBWYNJ-JOCQHMNTSA-N 1 1 329.408 0.496 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCCNC3=O)C[C@@]2(C)C1 ZINC000982343618 752003132 /nfs/dbraw/zinc/00/31/32/752003132.db2.gz HCYIXMXEKPJWJF-HDICACEKSA-N 1 1 332.448 0.595 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001000427167 745490976 /nfs/dbraw/zinc/49/09/76/745490976.db2.gz MBTKSLRWPDOUGO-KBMXLJTQSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(C)nn3C)C2)nn1 ZINC001098626573 745516072 /nfs/dbraw/zinc/51/60/72/745516072.db2.gz VFYHWOJUHIIJKI-CQSZACIVSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C)no4)[C@@H]3C2)C1=O ZINC000977824684 745541790 /nfs/dbraw/zinc/54/17/90/745541790.db2.gz NKVRZWMQWYXPRR-XQLPTFJDSA-N 1 1 344.415 0.678 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)c1 ZINC001027568367 745592896 /nfs/dbraw/zinc/59/28/96/745592896.db2.gz GJBHRNDTNFUCAN-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000983965910 745594063 /nfs/dbraw/zinc/59/40/63/745594063.db2.gz MBHUQHCZQKRCGS-JYJNAYRXSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000983965910 745594065 /nfs/dbraw/zinc/59/40/65/745594065.db2.gz MBHUQHCZQKRCGS-JYJNAYRXSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C)n[nH]4)[C@@H]3C2)C1=O ZINC000977888062 745614275 /nfs/dbraw/zinc/61/42/75/745614275.db2.gz NBIBXLJKXKLMSE-HGTKMLMNSA-N 1 1 343.431 0.413 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC([C@H]2[N@@H+](CC(N)=O)CC23CCC3)CC1 ZINC001105391358 745627318 /nfs/dbraw/zinc/62/73/18/745627318.db2.gz CGIKSIIYVOCNLF-MSOLQXFVSA-N 1 1 349.475 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1nocc1C ZINC000977917813 745644887 /nfs/dbraw/zinc/64/48/87/745644887.db2.gz JTAFRKQMFATCSN-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1nocc1C ZINC000977917813 745644892 /nfs/dbraw/zinc/64/48/92/745644892.db2.gz JTAFRKQMFATCSN-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3ncc[nH]3)CC2)C1=O ZINC001000662382 745678939 /nfs/dbraw/zinc/67/89/39/745678939.db2.gz LOILOTIKBPBALZ-AWEZNQCLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCCN(C)C2=O)cn1 ZINC001028270476 752023952 /nfs/dbraw/zinc/02/39/52/752023952.db2.gz KUCOTNMWUSUZDV-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC000977951825 745706757 /nfs/dbraw/zinc/70/67/57/745706757.db2.gz MDKNHIPTVXFJBO-VXGBXAGGSA-N 1 1 333.392 0.569 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C#N)cn1 ZINC001126522440 745709821 /nfs/dbraw/zinc/70/98/21/745709821.db2.gz CLNKAYNVLLPRRL-HOCLYGCPSA-N 1 1 345.447 0.720 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+]1[C@H](CC)C(N)=O ZINC001028270831 752027445 /nfs/dbraw/zinc/02/74/45/752027445.db2.gz UFGGYOVVYVEKNN-UKRRQHHQSA-N 1 1 344.415 0.552 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@H](CC)C(N)=O ZINC001028270831 752027451 /nfs/dbraw/zinc/02/74/51/752027451.db2.gz UFGGYOVVYVEKNN-UKRRQHHQSA-N 1 1 344.415 0.552 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001000751021 745742462 /nfs/dbraw/zinc/74/24/62/745742462.db2.gz ZYYDWIUZSPKCND-INIZCTEOSA-N 1 1 333.432 0.253 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nnc(C)[nH]2)CC1 ZINC001000790916 745768082 /nfs/dbraw/zinc/76/80/82/745768082.db2.gz JYFKRTYLZWLUEQ-INIZCTEOSA-N 1 1 342.447 0.459 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nnc(C)[nH]2)CC1 ZINC001000790916 745768084 /nfs/dbraw/zinc/76/80/84/745768084.db2.gz JYFKRTYLZWLUEQ-INIZCTEOSA-N 1 1 342.447 0.459 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000982355278 752032133 /nfs/dbraw/zinc/03/21/33/752032133.db2.gz HTSVBVXUUOGDBM-RDJZCZTQSA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000982355278 752032139 /nfs/dbraw/zinc/03/21/39/752032139.db2.gz HTSVBVXUUOGDBM-RDJZCZTQSA-N 1 1 340.427 0.758 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059307432 745819529 /nfs/dbraw/zinc/81/95/29/745819529.db2.gz WWGPDCRYSLMHED-MGPQQGTHSA-N 1 1 328.420 0.702 20 30 ECEDMO Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)o1 ZINC000978031250 745832686 /nfs/dbraw/zinc/83/26/86/745832686.db2.gz XBLVCFOQVMOFKU-ZSOGYDGISA-N 1 1 326.360 0.686 20 30 ECEDMO Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)o1 ZINC000978031250 745832692 /nfs/dbraw/zinc/83/26/92/745832692.db2.gz XBLVCFOQVMOFKU-ZSOGYDGISA-N 1 1 326.360 0.686 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)c[nH]1 ZINC000978064794 745847947 /nfs/dbraw/zinc/84/79/47/745847947.db2.gz QQXFDLLHEDSADR-PHZGNYQRSA-N 1 1 341.415 0.416 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC001000913703 745893015 /nfs/dbraw/zinc/89/30/15/745893015.db2.gz LWVMVCAXCLCXEG-UHFFFAOYSA-N 1 1 328.372 0.960 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978081984 745896430 /nfs/dbraw/zinc/89/64/30/745896430.db2.gz RLRSESMAYLIJIR-BLQKSXIESA-N 1 1 341.415 0.461 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4n[nH]cc4C)[C@@H]3C2)C1=O ZINC000978118918 745929501 /nfs/dbraw/zinc/92/95/01/745929501.db2.gz RARZRHGOGGUNAN-XQLPTFJDSA-N 1 1 343.431 0.413 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnn(C)c2C)C1 ZINC001000966128 745937466 /nfs/dbraw/zinc/93/74/66/745937466.db2.gz YZDIXIRHIVTFHJ-INIZCTEOSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnn(C)c2C)C1 ZINC001000966128 745937467 /nfs/dbraw/zinc/93/74/67/745937467.db2.gz YZDIXIRHIVTFHJ-INIZCTEOSA-N 1 1 343.431 0.014 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3csnn3)CC2)C1=O ZINC001001012253 745977881 /nfs/dbraw/zinc/97/78/81/745977881.db2.gz HWUXHTOKNAEUQC-CQSZACIVSA-N 1 1 347.444 0.687 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCN(C)C2=O)nc1 ZINC001028272923 752050522 /nfs/dbraw/zinc/05/05/22/752050522.db2.gz XSIRTSMNIAWKBM-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCN(C)C2=O)nc1 ZINC001028272923 752050530 /nfs/dbraw/zinc/05/05/30/752050530.db2.gz XSIRTSMNIAWKBM-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC=C(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001001041710 746005385 /nfs/dbraw/zinc/00/53/85/746005385.db2.gz XKQZHEKKRJHBLL-QGZVFWFLSA-N 1 1 338.411 0.943 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001001041710 746005389 /nfs/dbraw/zinc/00/53/89/746005389.db2.gz XKQZHEKKRJHBLL-QGZVFWFLSA-N 1 1 338.411 0.943 20 30 ECEDMO Cn1nnc(C(=O)NCC2=CC[N@@H+](Cc3cccc(C#N)c3)CC2)n1 ZINC001001058203 746025964 /nfs/dbraw/zinc/02/59/64/746025964.db2.gz ZESQJJWGUIZLJP-UHFFFAOYSA-N 1 1 337.387 0.644 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)no1 ZINC001059342697 746042990 /nfs/dbraw/zinc/04/29/90/746042990.db2.gz XLDMMOSXQBQCMH-XYPYZODXSA-N 1 1 341.375 0.771 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001007031521 752055036 /nfs/dbraw/zinc/05/50/36/752055036.db2.gz WNOBDRPOIXMINJ-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001007031521 752055043 /nfs/dbraw/zinc/05/50/43/752055043.db2.gz WNOBDRPOIXMINJ-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1CC ZINC001087570564 746074326 /nfs/dbraw/zinc/07/43/26/746074326.db2.gz XXAVEAGLHFWDOU-CWRNSKLLSA-N 1 1 343.431 0.755 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000984229189 746090043 /nfs/dbraw/zinc/09/00/43/746090043.db2.gz XEFQLZPHGYLAPH-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1CC ZINC001087593833 746105147 /nfs/dbraw/zinc/10/51/47/746105147.db2.gz YBUZTESPOPLHFW-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CCOC1 ZINC000978321851 746175638 /nfs/dbraw/zinc/17/56/38/746175638.db2.gz QIUUANNVLSBTDM-PMPSAXMXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CCOC1 ZINC000978321851 746175643 /nfs/dbraw/zinc/17/56/43/746175643.db2.gz QIUUANNVLSBTDM-PMPSAXMXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1conc1C ZINC000978312402 746189745 /nfs/dbraw/zinc/18/97/45/746189745.db2.gz LKEQPTJPIVGUNQ-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1conc1C ZINC000978312402 746189747 /nfs/dbraw/zinc/18/97/47/746189747.db2.gz LKEQPTJPIVGUNQ-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@H]3CCCN3C)CC2)C1=O ZINC001001263245 746223199 /nfs/dbraw/zinc/22/31/99/746223199.db2.gz IVWGKJNZCWBSSD-IAGOWNOFSA-N 1 1 348.491 0.696 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cc(Cn3cccn3)on2)CC1 ZINC001001351777 746299860 /nfs/dbraw/zinc/29/98/60/746299860.db2.gz VVKBQKARRGBKQG-UHFFFAOYSA-N 1 1 325.372 0.915 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1=CC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001001360421 746306845 /nfs/dbraw/zinc/30/68/45/746306845.db2.gz QSVGHEVOVCGHKA-CYBMUJFWSA-N 1 1 344.415 0.882 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1=CC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001001360421 746306848 /nfs/dbraw/zinc/30/68/48/746306848.db2.gz QSVGHEVOVCGHKA-CYBMUJFWSA-N 1 1 344.415 0.882 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN(C(N)=O)C3)[C@@H]2C1 ZINC000978436254 746319045 /nfs/dbraw/zinc/31/90/45/746319045.db2.gz NGGSLAARTMKFMZ-XDQVBPFNSA-N 1 1 340.855 0.824 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](CCn3cncn3)CC2)cn1 ZINC001001381113 746327978 /nfs/dbraw/zinc/32/79/78/746327978.db2.gz LCDQWCKAGUADON-UHFFFAOYSA-N 1 1 336.399 0.717 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@@H]1CC ZINC001087810430 746371246 /nfs/dbraw/zinc/37/12/46/746371246.db2.gz UHOXOLHYLWIOSP-DLBZAZTESA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@@H]1CC ZINC001087810430 746371252 /nfs/dbraw/zinc/37/12/52/746371252.db2.gz UHOXOLHYLWIOSP-DLBZAZTESA-N 1 1 327.428 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCCO2)C1 ZINC001001455585 746394615 /nfs/dbraw/zinc/39/46/15/746394615.db2.gz CVBQDGASKSCYLF-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCCO2)C1 ZINC001001455585 746394618 /nfs/dbraw/zinc/39/46/18/746394618.db2.gz CVBQDGASKSCYLF-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1 ZINC000978535500 746398788 /nfs/dbraw/zinc/39/87/88/746398788.db2.gz CLUXCLGNTKHTHC-ZSOGYDGISA-N 1 1 341.415 0.815 20 30 ECEDMO C[N@@H+](CC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1)C1CCC1 ZINC001001461878 746402372 /nfs/dbraw/zinc/40/23/72/746402372.db2.gz DIIGIXVMHRVJBF-UHFFFAOYSA-N 1 1 329.404 0.559 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)s1 ZINC001041986816 782552264 /nfs/dbraw/zinc/55/22/64/782552264.db2.gz TUNQXJURQDQKMY-RISCZKNCSA-N 1 1 332.429 0.918 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001027640387 746463097 /nfs/dbraw/zinc/46/30/97/746463097.db2.gz RYTYJANJJWOZHT-GFCCVEGCSA-N 1 1 342.827 0.604 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001027640387 746463101 /nfs/dbraw/zinc/46/31/01/746463101.db2.gz RYTYJANJJWOZHT-GFCCVEGCSA-N 1 1 342.827 0.604 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1nccnc1F ZINC001126555111 746505017 /nfs/dbraw/zinc/50/50/17/746505017.db2.gz ANJHVSUGROXVRU-AWEZNQCLSA-N 1 1 349.410 0.282 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1nccnc1F ZINC001126555111 746505020 /nfs/dbraw/zinc/50/50/20/746505020.db2.gz ANJHVSUGROXVRU-AWEZNQCLSA-N 1 1 349.410 0.282 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC000978659905 746548081 /nfs/dbraw/zinc/54/80/81/746548081.db2.gz ONBQMAYJPVSTCW-LZWOXQAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC000978659905 746548085 /nfs/dbraw/zinc/54/80/85/746548085.db2.gz ONBQMAYJPVSTCW-LZWOXQAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)cn1 ZINC001027656538 746599242 /nfs/dbraw/zinc/59/92/42/746599242.db2.gz SLCZKXNKHKPYEG-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)c1 ZINC000978717123 746617225 /nfs/dbraw/zinc/61/72/25/746617225.db2.gz XXVNZZXPTYNONT-MPESAESLSA-N 1 1 326.400 0.105 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC000978720008 746620704 /nfs/dbraw/zinc/62/07/04/746620704.db2.gz KLGKRBVTAVZHGP-YVSFHVDLSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC000978720008 746620706 /nfs/dbraw/zinc/62/07/06/746620706.db2.gz KLGKRBVTAVZHGP-YVSFHVDLSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059396641 746622419 /nfs/dbraw/zinc/62/24/19/746622419.db2.gz CREAZEXZTKKFBY-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059396641 746622422 /nfs/dbraw/zinc/62/24/22/746622422.db2.gz CREAZEXZTKKFBY-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000978735270 746649340 /nfs/dbraw/zinc/64/93/40/746649340.db2.gz MJSLXQXLGUELDO-UNIGVISCSA-N 1 1 343.431 0.851 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNS(=O)(=O)CC)CC1 ZINC001227108078 746713322 /nfs/dbraw/zinc/71/33/22/746713322.db2.gz LHYGZLHBODPIDL-UHFFFAOYSA-N 1 1 329.466 0.310 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@@H]2C1 ZINC001087963083 746756376 /nfs/dbraw/zinc/75/63/76/746756376.db2.gz ZAPIVXBGPAPUOI-CABCVRRESA-N 1 1 331.420 0.342 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001001852068 746767853 /nfs/dbraw/zinc/76/78/53/746767853.db2.gz RNSXIVBKHPMSAI-CVEARBPZSA-N 1 1 333.436 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]2C1 ZINC001087978066 746776319 /nfs/dbraw/zinc/77/63/19/746776319.db2.gz KJLCRHMYFXMIHB-KGLIPLIRSA-N 1 1 330.436 0.384 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007150114 752129041 /nfs/dbraw/zinc/12/90/41/752129041.db2.gz GJPBDLAWNJUYNC-GOEBONIOSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007150114 752129049 /nfs/dbraw/zinc/12/90/49/752129049.db2.gz GJPBDLAWNJUYNC-GOEBONIOSA-N 1 1 341.415 0.867 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001027688249 746809968 /nfs/dbraw/zinc/80/99/68/746809968.db2.gz GQQYCEOVWGOLQA-HUUCEWRRSA-N 1 1 343.855 0.909 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001027688249 746809975 /nfs/dbraw/zinc/80/99/75/746809975.db2.gz GQQYCEOVWGOLQA-HUUCEWRRSA-N 1 1 343.855 0.909 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@@H]2C1 ZINC001087984448 746829434 /nfs/dbraw/zinc/82/94/34/746829434.db2.gz BQHCVQSHLYNVPE-KFWWJZLASA-N 1 1 331.416 0.328 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000984705708 746851194 /nfs/dbraw/zinc/85/11/94/746851194.db2.gz KKBBTNNUVXXSAQ-AWEZNQCLSA-N 1 1 340.387 0.915 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001027693573 746857734 /nfs/dbraw/zinc/85/77/34/746857734.db2.gz GALDQGSZNZBGTD-CQSZACIVSA-N 1 1 348.451 0.479 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001059423797 746870761 /nfs/dbraw/zinc/87/07/61/746870761.db2.gz RVDHZJQHVLRMHR-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nocc4C)[C@@H]3C2)C1=O ZINC000978948410 746937673 /nfs/dbraw/zinc/93/76/73/746937673.db2.gz BJXMBTYUSBMIFU-XQLPTFJDSA-N 1 1 344.415 0.678 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC000978948897 746938725 /nfs/dbraw/zinc/93/87/25/746938725.db2.gz YGZLGWHMUAOUQO-XDQVBPFNSA-N 1 1 344.415 0.428 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007155196 752136200 /nfs/dbraw/zinc/13/62/00/752136200.db2.gz JWZCDDUKKAZQCP-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007155196 752136204 /nfs/dbraw/zinc/13/62/04/752136204.db2.gz JWZCDDUKKAZQCP-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@@H]2C1 ZINC001087992463 746951426 /nfs/dbraw/zinc/95/14/26/746951426.db2.gz WYNRIYPTEGZUQJ-ILXRZTDVSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@@H]2C1 ZINC001087992463 746951430 /nfs/dbraw/zinc/95/14/30/746951430.db2.gz WYNRIYPTEGZUQJ-ILXRZTDVSA-N 1 1 326.462 0.920 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(=O)NC)nc3)[C@@H]2C1 ZINC000978972479 746976327 /nfs/dbraw/zinc/97/63/27/746976327.db2.gz KSWBOLHAJYSZSZ-QKDCVEJESA-N 1 1 326.400 0.372 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCO1)C2 ZINC001002118841 746998322 /nfs/dbraw/zinc/99/83/22/746998322.db2.gz VNQFUCYJPZFJKE-NRKLIOEPSA-N 1 1 345.443 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCO1)C2 ZINC001002118841 746998327 /nfs/dbraw/zinc/99/83/27/746998327.db2.gz VNQFUCYJPZFJKE-NRKLIOEPSA-N 1 1 345.443 0.511 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007161628 752143410 /nfs/dbraw/zinc/14/34/10/752143410.db2.gz IAFCDHSQJOULBM-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007161628 752143412 /nfs/dbraw/zinc/14/34/12/752143412.db2.gz IAFCDHSQJOULBM-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3cnc[nH]3)C2)C1=O ZINC000984858254 747031489 /nfs/dbraw/zinc/03/14/89/747031489.db2.gz HFVIGHANKXFDKJ-YDHLFZDLSA-N 1 1 331.420 0.224 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc(OC)cc(OC)n3)C[C@@H]2C1 ZINC001088013534 747055697 /nfs/dbraw/zinc/05/56/97/747055697.db2.gz JAOZEVLIIUVNBR-KGLIPLIRSA-N 1 1 344.415 0.911 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)cn1 ZINC000979017050 747063885 /nfs/dbraw/zinc/06/38/85/747063885.db2.gz LCACDHMAAHGXSA-PHZGNYQRSA-N 1 1 347.440 0.015 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)cn1 ZINC000979017050 747063891 /nfs/dbraw/zinc/06/38/91/747063891.db2.gz LCACDHMAAHGXSA-PHZGNYQRSA-N 1 1 347.440 0.015 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 ZINC001088019577 747075133 /nfs/dbraw/zinc/07/51/33/747075133.db2.gz VXUDPZGZNGOOBE-CABCVRRESA-N 1 1 333.436 0.328 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001088032267 747114053 /nfs/dbraw/zinc/11/40/53/747114053.db2.gz HMAMWJCFGJJAGA-CABCVRRESA-N 1 1 333.432 0.882 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3coc4c3C(=O)NCCC4)C[C@@H]2C1 ZINC001088047836 747143290 /nfs/dbraw/zinc/14/32/90/747143290.db2.gz VUDPIKXORSBVFQ-KGLIPLIRSA-N 1 1 341.411 0.983 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nc(C)nn4C3)C[C@@H]2C1 ZINC001088049952 747145949 /nfs/dbraw/zinc/14/59/49/747145949.db2.gz GSTPBAXQXLIUTP-PMPSAXMXSA-N 1 1 327.432 0.562 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001002287371 747170110 /nfs/dbraw/zinc/17/01/10/747170110.db2.gz SYAXQTHEUAJBCS-HNNXBMFYSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001002287371 747170112 /nfs/dbraw/zinc/17/01/12/747170112.db2.gz SYAXQTHEUAJBCS-HNNXBMFYSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnc(C)cn2)C1=O ZINC001027733234 747204978 /nfs/dbraw/zinc/20/49/78/747204978.db2.gz WZYRCSTYJPVADZ-HOCLYGCPSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnc(C)cn2)C1=O ZINC001027733234 747204981 /nfs/dbraw/zinc/20/49/81/747204981.db2.gz WZYRCSTYJPVADZ-HOCLYGCPSA-N 1 1 343.431 0.766 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(C)C1=O ZINC001029511177 747206857 /nfs/dbraw/zinc/20/68/57/747206857.db2.gz AILDTEVEMQFBDX-QEOTZNIISA-N 1 1 347.459 0.874 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccc(=O)[nH]n2)C1=O ZINC001027737003 747269331 /nfs/dbraw/zinc/26/93/31/747269331.db2.gz JAQRVLICNPRJHU-JSGCOSHPSA-N 1 1 345.403 0.163 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)OC)[C@@H]1CC ZINC000985047782 747300951 /nfs/dbraw/zinc/30/09/51/747300951.db2.gz PXQRANOOLYFKAS-JONQDZQNSA-N 1 1 335.448 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)OC)[C@@H]1CC ZINC000985047782 747300955 /nfs/dbraw/zinc/30/09/55/747300955.db2.gz PXQRANOOLYFKAS-JONQDZQNSA-N 1 1 335.448 0.615 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C)on2)C1=O ZINC001027742415 747323131 /nfs/dbraw/zinc/32/31/31/747323131.db2.gz PDLNKDZMVYICRZ-UKRRQHHQSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C)on2)C1=O ZINC001027742415 747323139 /nfs/dbraw/zinc/32/31/39/747323139.db2.gz PDLNKDZMVYICRZ-UKRRQHHQSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)[C@H](OC)C1 ZINC001211891173 747349548 /nfs/dbraw/zinc/34/95/48/747349548.db2.gz GLDLPQAJBBYLIY-BZUAXINKSA-N 1 1 326.437 0.964 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)nc2)C1 ZINC001105410375 747452204 /nfs/dbraw/zinc/45/22/04/747452204.db2.gz WJNVCNINVQZHEY-INIZCTEOSA-N 1 1 331.420 0.569 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)nc2)C1 ZINC001105410375 747452210 /nfs/dbraw/zinc/45/22/10/747452210.db2.gz WJNVCNINVQZHEY-INIZCTEOSA-N 1 1 331.420 0.569 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@@H]2C1 ZINC001088134212 747467183 /nfs/dbraw/zinc/46/71/83/747467183.db2.gz YNGGJLCNLSUHAS-MNOVXSKESA-N 1 1 341.337 0.861 20 30 ECEDMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979267153 747469537 /nfs/dbraw/zinc/46/95/37/747469537.db2.gz JFZXCWPUWTZWHY-ABAIWWIYSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979267169 747469678 /nfs/dbraw/zinc/46/96/78/747469678.db2.gz JFZXCWPUWTZWHY-NHYWBVRUSA-N 1 1 343.391 0.034 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)nc1 ZINC001029556599 747480859 /nfs/dbraw/zinc/48/08/59/747480859.db2.gz CORPNLNUAGYOAS-UXLLHSPISA-N 1 1 338.411 0.630 20 30 ECEDMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979289256 747518885 /nfs/dbraw/zinc/51/88/85/747518885.db2.gz HINZJAAMXKHGBV-IAQYHMDHSA-N 1 1 343.391 0.034 20 30 ECEDMO Cc1nnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)[nH]1 ZINC000979291869 747525957 /nfs/dbraw/zinc/52/59/57/747525957.db2.gz KQOAVOCWTZDUPK-YGRLFVJLSA-N 1 1 343.391 0.332 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCNC(=O)C3)C[C@@]2(C)C1 ZINC000982431267 752189047 /nfs/dbraw/zinc/18/90/47/752189047.db2.gz HQRLAAICHBOVAC-KDURUIRLSA-N 1 1 348.491 0.555 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C4CCOCC4)nn3)C[C@@H]2C1 ZINC001088163182 747558865 /nfs/dbraw/zinc/55/88/65/747558865.db2.gz CGOUOFFHVRPWNI-CABCVRRESA-N 1 1 343.431 0.657 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088164035 747562145 /nfs/dbraw/zinc/56/21/45/747562145.db2.gz RIDRHHZOBJOBEG-OWCLPIDISA-N 1 1 343.431 0.657 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C[C@@H]2C1 ZINC001088169386 747583617 /nfs/dbraw/zinc/58/36/17/747583617.db2.gz UIIJHIVPMNOGSV-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C[C@@H]2C1 ZINC001088169386 747583620 /nfs/dbraw/zinc/58/36/20/747583620.db2.gz UIIJHIVPMNOGSV-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C[C@@H]2C1 ZINC001088169386 747583627 /nfs/dbraw/zinc/58/36/27/747583627.db2.gz UIIJHIVPMNOGSV-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C[C@@H]2C1 ZINC001088169386 747583632 /nfs/dbraw/zinc/58/36/32/747583632.db2.gz UIIJHIVPMNOGSV-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C[C@@H]2C1 ZINC001088169386 747583639 /nfs/dbraw/zinc/58/36/39/747583639.db2.gz UIIJHIVPMNOGSV-KFWWJZLASA-N 1 1 327.432 0.713 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979316493 747627101 /nfs/dbraw/zinc/62/71/01/747627101.db2.gz NZIDLYBJPLZJOL-HIFRSBDPSA-N 1 1 346.435 0.202 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2nnnn2C)C1 ZINC000979379841 747707235 /nfs/dbraw/zinc/70/72/35/747707235.db2.gz SXXVWTQXCHFEPL-STQMWFEESA-N 1 1 336.440 0.518 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 ZINC001088194142 747707613 /nfs/dbraw/zinc/70/76/13/747707613.db2.gz ODLJLIIFFKSLCV-KGLIPLIRSA-N 1 1 334.420 0.237 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@@H]2C1 ZINC001088206071 747739131 /nfs/dbraw/zinc/73/91/31/747739131.db2.gz BYZRXCFZLQTOHP-IKGGRYGDSA-N 1 1 333.432 0.037 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]Cc3nncn3C)C2)C1 ZINC000979386501 747744837 /nfs/dbraw/zinc/74/48/37/747744837.db2.gz YBMZIAQJVHDVLH-ZIAGYGMSSA-N 1 1 333.436 0.877 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(OC)ncnc3OC)C[C@@H]2C1 ZINC001088221213 747766592 /nfs/dbraw/zinc/76/65/92/747766592.db2.gz SVZHTUGWONEMMA-KGLIPLIRSA-N 1 1 344.415 0.911 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088222873 747768401 /nfs/dbraw/zinc/76/84/01/747768401.db2.gz ANBXMTJUOWYJOM-KFWWJZLASA-N 1 1 333.432 0.786 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC001088231269 747781330 /nfs/dbraw/zinc/78/13/30/747781330.db2.gz NAQPGDATFFVUSP-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CO[C@@H]2CCN(CC#N)C2)CC1 ZINC001088230367 747782561 /nfs/dbraw/zinc/78/25/61/747782561.db2.gz OMVDVEZEDFYLSV-IAGOWNOFSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC001088230536 747784139 /nfs/dbraw/zinc/78/41/39/747784139.db2.gz SOFUQAPEJXYZKH-GOSISDBHSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 ZINC001088232022 747785297 /nfs/dbraw/zinc/78/52/97/747785297.db2.gz FZRMPXCIVFZVRA-IAGOWNOFSA-N 1 1 348.443 0.902 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](OCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001088233157 747790155 /nfs/dbraw/zinc/79/01/55/747790155.db2.gz JHFJVADWPCOVIY-WMLDXEAASA-N 1 1 347.459 0.603 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 ZINC001088231289 747791402 /nfs/dbraw/zinc/79/14/02/747791402.db2.gz NPUXFOLSGATDSJ-NVXWUHKLSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001088233602 747793606 /nfs/dbraw/zinc/79/36/06/747793606.db2.gz VFGXINSYMNWZCE-OAHLLOKOSA-N 1 1 333.436 0.944 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1 ZINC001088236850 747835836 /nfs/dbraw/zinc/83/58/36/747835836.db2.gz FEHGCKAPDSCWGR-OAHLLOKOSA-N 1 1 346.431 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2(C(F)F)CC2)C1 ZINC001002825726 747838036 /nfs/dbraw/zinc/83/80/36/747838036.db2.gz GEGPAHXKSVLLNN-ZDUSSCGKSA-N 1 1 339.386 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2(C(F)F)CC2)C1 ZINC001002825726 747838039 /nfs/dbraw/zinc/83/80/39/747838039.db2.gz GEGPAHXKSVLLNN-ZDUSSCGKSA-N 1 1 339.386 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccnnc2C)C1 ZINC001002826102 747838752 /nfs/dbraw/zinc/83/87/52/747838752.db2.gz KAYBREWIZIZIQD-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccnnc2C)C1 ZINC001002826102 747838755 /nfs/dbraw/zinc/83/87/55/747838755.db2.gz KAYBREWIZIZIQD-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC001002830850 747848717 /nfs/dbraw/zinc/84/87/17/747848717.db2.gz WUEGNQRWVGNADW-QFBILLFUSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC001002830850 747848722 /nfs/dbraw/zinc/84/87/22/747848722.db2.gz WUEGNQRWVGNADW-QFBILLFUSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 ZINC001088239391 747884367 /nfs/dbraw/zinc/88/43/67/747884367.db2.gz UQBUHYUAZBNOJD-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(Br)C[N@@H+](C)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000985410967 747930457 /nfs/dbraw/zinc/93/04/57/747930457.db2.gz KJVUMGACZYQVLY-NSHDSACASA-N 1 1 346.225 0.926 20 30 ECEDMO C=C(Br)C[N@H+](C)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000985410967 747930460 /nfs/dbraw/zinc/93/04/60/747930460.db2.gz KJVUMGACZYQVLY-NSHDSACASA-N 1 1 346.225 0.926 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001088239922 747934568 /nfs/dbraw/zinc/93/45/68/747934568.db2.gz KVXULJYOUOWRHX-MRXNPFEDSA-N 1 1 345.447 0.700 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cnns3)C2)C1=O ZINC001029659108 747992928 /nfs/dbraw/zinc/99/29/28/747992928.db2.gz OCLCGAKWWFJLPS-CHWSQXEVSA-N 1 1 349.460 0.719 20 30 ECEDMO CN(C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001027813634 748008294 /nfs/dbraw/zinc/00/82/94/748008294.db2.gz XTKZAPGJKFCGAZ-CQSZACIVSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001027813634 748008302 /nfs/dbraw/zinc/00/83/02/748008302.db2.gz XTKZAPGJKFCGAZ-CQSZACIVSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000979570694 748034317 /nfs/dbraw/zinc/03/43/17/748034317.db2.gz CILFCZBUWDDTGJ-YDHLFZDLSA-N 1 1 346.435 0.183 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)no1 ZINC001002985798 748035328 /nfs/dbraw/zinc/03/53/28/748035328.db2.gz NNKFRPGQHVMPJC-UHFFFAOYSA-N 1 1 330.388 0.338 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3ccon3)C2)C1=O ZINC001029682708 748046316 /nfs/dbraw/zinc/04/63/16/748046316.db2.gz YTGSMOOGZGNZMZ-GOEBONIOSA-N 1 1 346.431 0.784 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1=O ZINC001029685828 748061600 /nfs/dbraw/zinc/06/16/00/748061600.db2.gz CSOCJUSEFAORAV-ZBFHGGJFSA-N 1 1 345.447 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001029685828 748061608 /nfs/dbraw/zinc/06/16/08/748061608.db2.gz CSOCJUSEFAORAV-ZBFHGGJFSA-N 1 1 345.447 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001029685828 748061616 /nfs/dbraw/zinc/06/16/16/748061616.db2.gz CSOCJUSEFAORAV-ZBFHGGJFSA-N 1 1 345.447 0.519 20 30 ECEDMO CN1CCC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001029707633 748108976 /nfs/dbraw/zinc/10/89/76/748108976.db2.gz CNHKBBNUQZKPSF-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@@H]1CCCNC1=O ZINC001029708065 748110469 /nfs/dbraw/zinc/11/04/69/748110469.db2.gz KQDGNBWHORJFER-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@@H+](C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@@H]1CCCNC1=O ZINC001029708064 748110741 /nfs/dbraw/zinc/11/07/41/748110741.db2.gz KQDGNBWHORJFER-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000985461310 748112358 /nfs/dbraw/zinc/11/23/58/748112358.db2.gz GMJWXNUYVQTSRO-UHFFFAOYSA-N 1 1 334.420 0.046 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CN=NC3=O)C[C@@H]2C1 ZINC000979621997 748114537 /nfs/dbraw/zinc/11/45/37/748114537.db2.gz VRTPEDBNQLPOQI-YNEHKIRRSA-N 1 1 339.827 0.953 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000979611616 748120241 /nfs/dbraw/zinc/12/02/41/748120241.db2.gz HUMBPIRRILMPOP-QHSBEEBCSA-N 1 1 343.431 0.851 20 30 ECEDMO C[N@@H+](C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@@H]1CCCNC1=O ZINC001029712655 748124856 /nfs/dbraw/zinc/12/48/56/748124856.db2.gz XREACIWUFRQPPM-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001029725098 748160931 /nfs/dbraw/zinc/16/09/31/748160931.db2.gz SYPVSQHDWZCDHR-XJKSGUPXSA-N 1 1 342.399 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)C1=O ZINC001029733432 748176342 /nfs/dbraw/zinc/17/63/42/748176342.db2.gz JRAINNNLQPALEE-SJORKVTESA-N 1 1 329.444 0.967 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001029738033 748191862 /nfs/dbraw/zinc/19/18/62/748191862.db2.gz RTWLOHHJIKCMNS-LBPRGKRZSA-N 1 1 345.432 0.587 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C[C@H]2CCNC(=O)CC2)[nH]1 ZINC001027831184 748275622 /nfs/dbraw/zinc/27/56/22/748275622.db2.gz NMRUIZHCYKNOBN-UKRRQHHQSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@@H]2C1 ZINC000979737277 748315834 /nfs/dbraw/zinc/31/58/34/748315834.db2.gz YTKBXKVLZZNTPW-BFHYXJOUSA-N 1 1 346.435 0.170 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001027835079 748361522 /nfs/dbraw/zinc/36/15/22/748361522.db2.gz QVHWCBJORPGVFH-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001027835079 748361528 /nfs/dbraw/zinc/36/15/28/748361528.db2.gz QVHWCBJORPGVFH-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCCS3(=O)=O)C[C@H]2C1 ZINC000979777482 748375804 /nfs/dbraw/zinc/37/58/04/748375804.db2.gz SCSQUGMBNZABMP-KKUMJFAQSA-N 1 1 341.477 0.425 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C[C@@H]2CCNC(=O)CC2)c[nH]1 ZINC001027836587 748395231 /nfs/dbraw/zinc/39/52/31/748395231.db2.gz VWPCVUHRUXULCO-XJKSGUPXSA-N 1 1 343.431 0.997 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000979790894 748405468 /nfs/dbraw/zinc/40/54/68/748405468.db2.gz MDRLFKRNWHIWBT-GVRJEKJASA-N 1 1 335.448 0.540 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCOCC3=O)C[C@@H]2C1 ZINC000979793520 748408691 /nfs/dbraw/zinc/40/86/91/748408691.db2.gz GWPXTTFFYNWDQK-ARFHVFGLSA-N 1 1 335.448 0.638 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000985562709 748527932 /nfs/dbraw/zinc/52/79/32/748527932.db2.gz NGQSBYVKXRLBGO-UHFFFAOYSA-N 1 1 327.388 0.052 20 30 ECEDMO N#Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)ccc1F ZINC001003429682 748545754 /nfs/dbraw/zinc/54/57/54/748545754.db2.gz SMBNTIVEVPLGKF-OAHLLOKOSA-N 1 1 344.390 0.914 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029822192 748604400 /nfs/dbraw/zinc/60/44/00/748604400.db2.gz ZLCQHUINMRZUTB-XJKSGUPXSA-N 1 1 341.415 0.520 20 30 ECEDMO COCCN(CCNC(=O)Cn1cc[nH+]c1C)c1nccnc1C#N ZINC001126348769 752296335 /nfs/dbraw/zinc/29/63/35/752296335.db2.gz ADAVTHVRSRFRLV-UHFFFAOYSA-N 1 1 343.391 0.122 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985607084 748734174 /nfs/dbraw/zinc/73/41/74/748734174.db2.gz DBFKHLRYPFQBEF-MRXNPFEDSA-N 1 1 341.415 0.662 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)[C@@H]2C1 ZINC001075869568 748734761 /nfs/dbraw/zinc/73/47/61/748734761.db2.gz ZPUIOKGHHWCYJL-HZSPNIEDSA-N 1 1 330.436 0.698 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000979967138 748758904 /nfs/dbraw/zinc/75/89/04/748758904.db2.gz HIXAZNUFHWQFLK-FPCVCCKLSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000979967138 748758909 /nfs/dbraw/zinc/75/89/09/748758909.db2.gz HIXAZNUFHWQFLK-FPCVCCKLSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]2C1 ZINC000979986478 748780739 /nfs/dbraw/zinc/78/07/39/748780739.db2.gz LFYYOKPVGPQWDD-ARFHVFGLSA-N 1 1 340.427 0.573 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059621226 748855726 /nfs/dbraw/zinc/85/57/26/748855726.db2.gz RJHZHKOAOBWTQR-JKSUJKDBSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059621226 748855730 /nfs/dbraw/zinc/85/57/30/748855730.db2.gz RJHZHKOAOBWTQR-JKSUJKDBSA-N 1 1 333.432 0.085 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)nn1 ZINC001003766287 748874598 /nfs/dbraw/zinc/87/45/98/748874598.db2.gz HIUQKQAPADBTFP-UHFFFAOYSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3nccs3)C2)nn1 ZINC001105345446 748883909 /nfs/dbraw/zinc/88/39/09/748883909.db2.gz AMYIXQBFDNSJPQ-UHFFFAOYSA-N 1 1 348.432 0.724 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3cn(C)nn3)CC2)cn1 ZINC000985756668 749019359 /nfs/dbraw/zinc/01/93/59/749019359.db2.gz IGCFXHHCAYDXPX-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3cn(C)nn3)CC2)cn1 ZINC000985756668 749019365 /nfs/dbraw/zinc/01/93/65/749019365.db2.gz IGCFXHHCAYDXPX-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)CC(=O)N3CCC3)CC2)cn1 ZINC000985756579 749019721 /nfs/dbraw/zinc/01/97/21/749019721.db2.gz GMJHQUFJTUBOBA-UHFFFAOYSA-N 1 1 340.427 0.832 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1)CC2 ZINC001003905166 749028312 /nfs/dbraw/zinc/02/83/12/749028312.db2.gz PZXVPGNBZVWNMW-RISCZKNCSA-N 1 1 329.404 0.488 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC000980156007 749082063 /nfs/dbraw/zinc/08/20/63/749082063.db2.gz GEEPBVXZJMULMH-SOUVJXGZSA-N 1 1 344.415 0.189 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC000980155999 749082287 /nfs/dbraw/zinc/08/22/87/749082287.db2.gz GEEPBVXZJMULMH-KKUMJFAQSA-N 1 1 344.415 0.189 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001059645993 749091920 /nfs/dbraw/zinc/09/19/20/749091920.db2.gz LADSEEDELZDLQA-SJORKVTESA-N 1 1 349.475 0.723 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980170105 749106539 /nfs/dbraw/zinc/10/65/39/749106539.db2.gz YAEHYZCNDVTRMT-ZNMIVQPWSA-N 1 1 346.431 0.742 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2cnc[nH]2)C1 ZINC001059648490 749108844 /nfs/dbraw/zinc/10/88/44/749108844.db2.gz UAWFPZVLUJTZGR-KBPBESRZSA-N 1 1 332.404 0.345 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCO)C[C@@H]3C2)nn1 ZINC000980183406 749131467 /nfs/dbraw/zinc/13/14/67/749131467.db2.gz LBJQQGGFBQAFFR-SOUVJXGZSA-N 1 1 333.436 0.677 20 30 ECEDMO NC(=O)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC000980184289 749132453 /nfs/dbraw/zinc/13/24/53/749132453.db2.gz HBFDQNYDDCVVCI-YESZJQIVSA-N 1 1 325.412 0.740 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)ccc3=O)C[C@H]2C1 ZINC000980205093 749199793 /nfs/dbraw/zinc/19/97/93/749199793.db2.gz APQBZVIIRRWRQY-ULQDDVLXSA-N 1 1 342.443 0.792 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC000980219069 749214238 /nfs/dbraw/zinc/21/42/38/749214238.db2.gz NQVMIGYSEWBVTM-KKUMJFAQSA-N 1 1 348.447 0.721 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 ZINC000980230090 749225652 /nfs/dbraw/zinc/22/56/52/749225652.db2.gz KGSUZKOKZGWYAD-JYJNAYRXSA-N 1 1 347.463 0.683 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC000980230093 749225861 /nfs/dbraw/zinc/22/58/61/749225861.db2.gz KGSUZKOKZGWYAD-XHSDSOJGSA-N 1 1 347.463 0.683 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 ZINC000980239914 749243597 /nfs/dbraw/zinc/24/35/97/749243597.db2.gz BQOOYIVXCNIFNI-RRFJBIMHSA-N 1 1 348.447 0.673 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(C(N)=O)n3)C[C@@H]2C1 ZINC000980243784 749248849 /nfs/dbraw/zinc/24/88/49/749248849.db2.gz IGVLUZUAWASLOI-BFHYXJOUSA-N 1 1 326.400 0.644 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(CC(N)=O)nn3)C[C@@H]2C1 ZINC000980259332 749251229 /nfs/dbraw/zinc/25/12/29/749251229.db2.gz XXLXCHBEUPZCJP-MJBXVCDLSA-N 1 1 346.435 0.170 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C(N)=O)nc3)C[C@H]2C1 ZINC000980272061 749266160 /nfs/dbraw/zinc/26/61/60/749266160.db2.gz FOSCZVUQWJFRGH-SOUVJXGZSA-N 1 1 326.400 0.644 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC000980271059 749281902 /nfs/dbraw/zinc/28/19/02/749281902.db2.gz SXTTUDSRWPEXIL-QZTJIDSGSA-N 1 1 339.439 0.974 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN([C@H](C)C(=O)N(C)C)CC2)CC1 ZINC001004200544 749306897 /nfs/dbraw/zinc/30/68/97/749306897.db2.gz CNUYPEHUTHNGCJ-OAHLLOKOSA-N 1 1 348.491 0.389 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COC3CCOCC3)C2)nn1 ZINC001098739065 749312014 /nfs/dbraw/zinc/31/20/14/749312014.db2.gz CGQIFZZTFYEWMC-HNNXBMFYSA-N 1 1 349.435 0.523 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000980338780 749379929 /nfs/dbraw/zinc/37/99/29/749379929.db2.gz MEHKOHAQVKNPKO-GFCCVEGCSA-N 1 1 330.417 0.944 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CCNC(=O)C#CC2CC2)C1 ZINC001059679310 749406627 /nfs/dbraw/zinc/40/66/27/749406627.db2.gz GHCXJFIFRJZHDM-MRXNPFEDSA-N 1 1 328.416 0.960 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001004377290 749440950 /nfs/dbraw/zinc/44/09/50/749440950.db2.gz ZVVXGBNWAMLCSG-OAHLLOKOSA-N 1 1 326.462 0.757 20 30 ECEDMO Cn1nnnc1C[N@H+]1CCC[C@H]1C1CCN(C(=O)C#CC2CC2)CC1 ZINC001004431472 749488622 /nfs/dbraw/zinc/48/86/22/749488622.db2.gz YATMVMSQDNWLRU-INIZCTEOSA-N 1 1 342.447 0.827 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn(CCOC)nn2)CC1 ZINC001004432128 749489505 /nfs/dbraw/zinc/48/95/05/749489505.db2.gz DBYONKGQFWYEMT-QGZVFWFLSA-N 1 1 345.447 0.874 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001029896576 749499729 /nfs/dbraw/zinc/49/97/29/749499729.db2.gz GPIGGEPOVNUCDL-YJBOKZPZSA-N 1 1 339.439 0.879 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001004445724 749507279 /nfs/dbraw/zinc/50/72/79/749507279.db2.gz AVHXRPQWJHOMDG-MRXNPFEDSA-N 1 1 338.473 0.757 20 30 ECEDMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000986179920 749638734 /nfs/dbraw/zinc/63/87/34/749638734.db2.gz BILYKGGJZUCFGS-IINYFYTJSA-N 1 1 340.391 0.601 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC(N)=O)CC2)nn1 ZINC001004576016 749649189 /nfs/dbraw/zinc/64/91/89/749649189.db2.gz CDBZOJYGAMEXPS-OAHLLOKOSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nnc(C)[nH]1 ZINC001027942295 749664608 /nfs/dbraw/zinc/66/46/08/749664608.db2.gz BMRLFKZMBLOSRU-GJZGRUSLSA-N 1 1 330.436 0.291 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nnc(C)[nH]1 ZINC001027942295 749664615 /nfs/dbraw/zinc/66/46/15/749664615.db2.gz BMRLFKZMBLOSRU-GJZGRUSLSA-N 1 1 330.436 0.291 20 30 ECEDMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000980511972 749677307 /nfs/dbraw/zinc/67/73/07/749677307.db2.gz IXESKJUGBPZZMI-GHMZBOCLSA-N 1 1 328.380 0.050 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001004619971 749697548 /nfs/dbraw/zinc/69/75/48/749697548.db2.gz DXBJXYGCDVSQOW-HNNXBMFYSA-N 1 1 346.431 0.265 20 30 ECEDMO COCc1noc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000980573898 749800627 /nfs/dbraw/zinc/80/06/27/749800627.db2.gz FJZFCYBBEHSBSZ-JSGCOSHPSA-N 1 1 332.404 0.956 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC000986367634 749857685 /nfs/dbraw/zinc/85/76/85/749857685.db2.gz XYTKSPQKZGSCHH-QWHCGFSZSA-N 1 1 329.408 0.590 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnc[nH]c2=O)C1=O ZINC001027958432 749892293 /nfs/dbraw/zinc/89/22/93/749892293.db2.gz ICDBBMASAGIVEN-JSGCOSHPSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)[C@H]3CCOC3)CC2)C1=O ZINC001029943610 750017929 /nfs/dbraw/zinc/01/79/29/750017929.db2.gz NXLFYPJPPOZPAT-IRXDYDNUSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058847379 750126307 /nfs/dbraw/zinc/12/63/07/750126307.db2.gz QSWIBJBQXSLRJZ-HOTGVXAUSA-N 1 1 339.480 0.868 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088505759 750190887 /nfs/dbraw/zinc/19/08/87/750190887.db2.gz UFEJCAQWFPOLRF-JLSDUUJJSA-N 1 1 342.443 0.968 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001059737118 750265327 /nfs/dbraw/zinc/26/53/27/750265327.db2.gz ILMGCGRAVJADCY-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001059737118 750265333 /nfs/dbraw/zinc/26/53/33/750265333.db2.gz ILMGCGRAVJADCY-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[N@H+](C[C@H](O)Cn3cccn3)CC2)c1 ZINC000980917259 750351541 /nfs/dbraw/zinc/35/15/41/750351541.db2.gz HVWSCSQGJFTJJA-HNNXBMFYSA-N 1 1 342.403 0.292 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(OC)nc3)C2)nn1 ZINC001105356349 750565131 /nfs/dbraw/zinc/56/51/31/750565131.db2.gz KLXSYXIRXMHLHX-UHFFFAOYSA-N 1 1 329.364 0.049 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nnc(CC)o2)CC1 ZINC000981361269 750624386 /nfs/dbraw/zinc/62/43/86/750624386.db2.gz BXPQAHXWGYSTAK-HNNXBMFYSA-N 1 1 345.447 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nnc(CC)o2)CC1 ZINC000981361269 750624387 /nfs/dbraw/zinc/62/43/87/750624387.db2.gz BXPQAHXWGYSTAK-HNNXBMFYSA-N 1 1 345.447 0.764 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088549800 750632132 /nfs/dbraw/zinc/63/21/32/750632132.db2.gz DYFDQPZFAAIJLL-BYCMXARLSA-N 1 1 328.372 0.746 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000981451215 750697662 /nfs/dbraw/zinc/69/76/62/750697662.db2.gz QQXDIWOUDATSOK-OLZOCXBDSA-N 1 1 334.338 0.890 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000981451215 750697663 /nfs/dbraw/zinc/69/76/63/750697663.db2.gz QQXDIWOUDATSOK-OLZOCXBDSA-N 1 1 334.338 0.890 20 30 ECEDMO CN(C(=O)c1nnn(C)n1)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001005848953 750724162 /nfs/dbraw/zinc/72/41/62/750724162.db2.gz RLMHRFIALVIIFF-UHFFFAOYSA-N 1 1 339.403 0.818 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001005867140 750746015 /nfs/dbraw/zinc/74/60/15/750746015.db2.gz PUQWKOKODNQJTL-YWPYICTPSA-N 1 1 343.431 0.803 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001005938918 750821489 /nfs/dbraw/zinc/82/14/89/750821489.db2.gz NQDSZRQIQJECRZ-CHWSQXEVSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001005940091 750823164 /nfs/dbraw/zinc/82/31/64/750823164.db2.gz QSTUAPYIIFEAEX-RYUDHWBXSA-N 1 1 329.404 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)C2=CCOCC2)C1 ZINC001005952607 750843739 /nfs/dbraw/zinc/84/37/39/750843739.db2.gz QUMVWCOMVLJXGA-PBHICJAKSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)C2=CCOCC2)C1 ZINC001005952607 750843751 /nfs/dbraw/zinc/84/37/51/750843751.db2.gz QUMVWCOMVLJXGA-PBHICJAKSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC000981625991 750898472 /nfs/dbraw/zinc/89/84/72/750898472.db2.gz XEOPWUZQYTWCAF-NXOAAHMSSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC000981625991 750898478 /nfs/dbraw/zinc/89/84/78/750898478.db2.gz XEOPWUZQYTWCAF-NXOAAHMSSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3cnns3)[C@H]2C)CC1 ZINC000987573151 750974565 /nfs/dbraw/zinc/97/45/65/750974565.db2.gz ZCSYSVNUONIKQD-CJNGLKHVSA-N 1 1 347.488 0.962 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000981696265 750982546 /nfs/dbraw/zinc/98/25/46/750982546.db2.gz WOTYRBYWXFDBIU-CQSZACIVSA-N 1 1 329.404 0.688 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001006108148 751021865 /nfs/dbraw/zinc/02/18/65/751021865.db2.gz IDMSAJFDLJBUKG-DOMZBBRYSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3nnc(C)o3)[C@H]2C)C1=O ZINC001088553417 751050365 /nfs/dbraw/zinc/05/03/65/751050365.db2.gz FUBGDVHTKYSGGY-KWCYVHTRSA-N 1 1 347.419 0.286 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3nnc(C)o3)[C@H]2C)C1=O ZINC001088553417 751050369 /nfs/dbraw/zinc/05/03/69/751050369.db2.gz FUBGDVHTKYSGGY-KWCYVHTRSA-N 1 1 347.419 0.286 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c(C#N)cn1 ZINC001059824715 751124106 /nfs/dbraw/zinc/12/41/06/751124106.db2.gz JECVHPLOWDMJTO-FWYOQMDTSA-N 1 1 327.432 0.940 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCNC2=O)c1 ZINC001028127823 751134517 /nfs/dbraw/zinc/13/45/17/751134517.db2.gz XTIHJGYIOFECHG-MRXNPFEDSA-N 1 1 341.415 0.282 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC000981842426 751183185 /nfs/dbraw/zinc/18/31/85/751183185.db2.gz CUIGHPMUHQFCEC-UHFFFAOYSA-N 1 1 340.427 0.671 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc[nH]c2C)C1 ZINC001006318974 751240768 /nfs/dbraw/zinc/24/07/68/751240768.db2.gz KKEWUOJAUFNASP-DYVFJYSZSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc[nH]c2C)C1 ZINC001006318974 751240772 /nfs/dbraw/zinc/24/07/72/751240772.db2.gz KKEWUOJAUFNASP-DYVFJYSZSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2ncc[nH]2)C1 ZINC001006318846 751241126 /nfs/dbraw/zinc/24/11/26/751241126.db2.gz JNSGYBVWKNCOMG-HIFRSBDPSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2ncc[nH]2)C1 ZINC001006318846 751241132 /nfs/dbraw/zinc/24/11/32/751241132.db2.gz JNSGYBVWKNCOMG-HIFRSBDPSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CC2(O)CCC2)C1 ZINC001006319581 751241685 /nfs/dbraw/zinc/24/16/85/751241685.db2.gz MGTKZJOMRMEDPR-ZBFHGGJFSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CC2(O)CCC2)C1 ZINC001006319581 751241691 /nfs/dbraw/zinc/24/16/91/751241691.db2.gz MGTKZJOMRMEDPR-ZBFHGGJFSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C2=COCCC2)C1 ZINC001006320896 751243324 /nfs/dbraw/zinc/24/33/24/751243324.db2.gz PTJIZFXZYWDHHV-PBHICJAKSA-N 1 1 345.443 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C2=COCCC2)C1 ZINC001006320896 751243329 /nfs/dbraw/zinc/24/33/29/751243329.db2.gz PTJIZFXZYWDHHV-PBHICJAKSA-N 1 1 345.443 0.741 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccon2)C1 ZINC001006323580 751245628 /nfs/dbraw/zinc/24/56/28/751245628.db2.gz XSZQYFPKEGGMOR-WFASDCNBSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccon2)C1 ZINC001006323580 751245630 /nfs/dbraw/zinc/24/56/30/751245630.db2.gz XSZQYFPKEGGMOR-WFASDCNBSA-N 1 1 330.388 0.349 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001006355168 751283292 /nfs/dbraw/zinc/28/32/92/751283292.db2.gz IXRUDTAFEZRZGB-WDEREUQCSA-N 1 1 333.392 0.473 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001006366228 751294307 /nfs/dbraw/zinc/29/43/07/751294307.db2.gz BUKZOHSQBXBNGK-BLLLJJGKSA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccncc3C#N)C2)C1 ZINC001068464392 790322918 /nfs/dbraw/zinc/32/29/18/790322918.db2.gz JQRQGEUVXAVAHC-NOLJZWGESA-N 1 1 329.404 0.012 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccncc3C#N)C2)C1 ZINC001068464392 790322933 /nfs/dbraw/zinc/32/29/33/790322933.db2.gz JQRQGEUVXAVAHC-NOLJZWGESA-N 1 1 329.404 0.012 20 30 ECEDMO N#Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3nnc[nH]3)C2)ccc1F ZINC001020904428 752315587 /nfs/dbraw/zinc/31/55/87/752315587.db2.gz XSIDAMJVCONLRN-JOCQHMNTSA-N 1 1 328.351 0.795 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028312215 752352196 /nfs/dbraw/zinc/35/21/96/752352196.db2.gz GCGKPRKDTTYKLI-SNVBAGLBSA-N 1 1 326.784 0.433 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028312215 752352204 /nfs/dbraw/zinc/35/22/04/752352204.db2.gz GCGKPRKDTTYKLI-SNVBAGLBSA-N 1 1 326.784 0.433 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(C#N)c(C)n1 ZINC001126355374 752384011 /nfs/dbraw/zinc/38/40/11/752384011.db2.gz NAQOUYMPTFHEHV-MRXNPFEDSA-N 1 1 345.447 0.782 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000988624622 752403639 /nfs/dbraw/zinc/40/36/39/752403639.db2.gz JIEMEWABQLQSRK-ZFWWWQNUSA-N 1 1 336.436 0.174 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000988624622 752403645 /nfs/dbraw/zinc/40/36/45/752403645.db2.gz JIEMEWABQLQSRK-ZFWWWQNUSA-N 1 1 336.436 0.174 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001212034268 752424068 /nfs/dbraw/zinc/42/40/68/752424068.db2.gz UEAUJQNXZNDAPO-ARFHVFGLSA-N 1 1 342.436 0.200 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1OC ZINC001212031958 752428954 /nfs/dbraw/zinc/42/89/54/752428954.db2.gz CMOUPIDAUHPLRR-HZPDHXFCSA-N 1 1 336.436 0.518 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212045189 752438760 /nfs/dbraw/zinc/43/87/60/752438760.db2.gz ISUCKKLDXBZZLY-RBSFLKMASA-N 1 1 334.424 0.423 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC000988642636 752458987 /nfs/dbraw/zinc/45/89/87/752458987.db2.gz ARTUAODIQNCJKF-DGCLKSJQSA-N 1 1 327.392 0.891 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC000988642646 752459014 /nfs/dbraw/zinc/45/90/14/752459014.db2.gz ARTUAODIQNCJKF-YPMHNXCESA-N 1 1 327.392 0.891 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nn(C)c3F)C2)nn1 ZINC001105367847 752465627 /nfs/dbraw/zinc/46/56/27/752465627.db2.gz CZMRRLAWNFYFJQ-UHFFFAOYSA-N 1 1 347.398 0.822 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001087455157 752511837 /nfs/dbraw/zinc/51/18/37/752511837.db2.gz CYYBMEKETMXZDW-HZPDHXFCSA-N 1 1 342.378 0.420 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001087455157 752511847 /nfs/dbraw/zinc/51/18/47/752511847.db2.gz CYYBMEKETMXZDW-HZPDHXFCSA-N 1 1 342.378 0.420 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cnn(C)c3)C2)C1=O ZINC001028397088 752542375 /nfs/dbraw/zinc/54/23/75/752542375.db2.gz XUIGUOUFWZSFKO-DZGCQCFKSA-N 1 1 331.420 0.259 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cnsn3)C2)C1=O ZINC001028426783 752618174 /nfs/dbraw/zinc/61/81/74/752618174.db2.gz OIJHYNAZPZFWFY-AAEUAGOBSA-N 1 1 335.433 0.377 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001007612031 752635886 /nfs/dbraw/zinc/63/58/86/752635886.db2.gz RHRSZHJCNTWAQJ-VQIMIIECSA-N 1 1 345.443 0.324 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000938036892 752706304 /nfs/dbraw/zinc/70/63/04/752706304.db2.gz LVOOLESNIALOLK-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO Cn1nccc1CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467326 752760163 /nfs/dbraw/zinc/76/01/63/752760163.db2.gz AHHDEZXPCHCPSY-ZDUSSCGKSA-N 1 1 326.404 0.914 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c1 ZINC001028467531 752761223 /nfs/dbraw/zinc/76/12/23/752761223.db2.gz DMXNXOVCQIGZLV-UONOGXRCSA-N 1 1 343.431 0.854 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)C)CCO2 ZINC001007675462 752765882 /nfs/dbraw/zinc/76/58/82/752765882.db2.gz OCDIIRYDXHNMNO-QFBILLFUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)C)CCO2 ZINC001007675462 752765887 /nfs/dbraw/zinc/76/58/87/752765887.db2.gz OCDIIRYDXHNMNO-QFBILLFUSA-N 1 1 347.459 0.570 20 30 ECEDMO COCCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1nccnc1C#N ZINC001126372757 752795721 /nfs/dbraw/zinc/79/57/21/752795721.db2.gz ITXNSZIHIPDEFS-AWEZNQCLSA-N 1 1 346.435 0.259 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001028490608 752830176 /nfs/dbraw/zinc/83/01/76/752830176.db2.gz MTWPPGCXXZRIAN-MSOLQXFVSA-N 1 1 342.443 0.827 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001059930645 752892648 /nfs/dbraw/zinc/89/26/48/752892648.db2.gz GPNIRCPRTBRDQH-UONOGXRCSA-N 1 1 328.420 0.633 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982575654 752961355 /nfs/dbraw/zinc/96/13/55/752961355.db2.gz YVJJDRZCCQKZQW-HIGHGGLBSA-N 1 1 347.459 0.636 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001059009464 752990979 /nfs/dbraw/zinc/99/09/79/752990979.db2.gz QGFUXAIYINOUEU-ZDUSSCGKSA-N 1 1 325.376 0.875 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028535791 753095339 /nfs/dbraw/zinc/09/53/39/753095339.db2.gz FAZQISVJJJLKEP-UONOGXRCSA-N 1 1 329.404 0.224 20 30 ECEDMO CN1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001051492643 762197599 /nfs/dbraw/zinc/19/75/99/762197599.db2.gz AZJTYGNBJNEYFI-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261752407 753258606 /nfs/dbraw/zinc/25/86/06/753258606.db2.gz MAJVPJQCJNGRMN-GOEBONIOSA-N 1 1 337.512 0.745 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC000938094226 753263653 /nfs/dbraw/zinc/26/36/53/753263653.db2.gz GKQDZRMRGCVKRD-AWEZNQCLSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2ncc[nH]2)C(C)(C)C1 ZINC001008132230 753355872 /nfs/dbraw/zinc/35/58/72/753355872.db2.gz ODYTWCYNCCELBL-KBPBESRZSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2ncc[nH]2)C(C)(C)C1 ZINC001008132230 753355874 /nfs/dbraw/zinc/35/58/74/753355874.db2.gz ODYTWCYNCCELBL-KBPBESRZSA-N 1 1 343.431 0.474 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1=O ZINC001028581655 753382402 /nfs/dbraw/zinc/38/24/02/753382402.db2.gz LIPAULVSXMQRKL-YOEHRIQHSA-N 1 1 340.427 0.975 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)s1 ZINC001008180346 753430707 /nfs/dbraw/zinc/43/07/07/753430707.db2.gz ZPNWLBTXSDYQQI-SMDDNHRTSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)s1 ZINC001008180346 753430712 /nfs/dbraw/zinc/43/07/12/753430712.db2.gz ZPNWLBTXSDYQQI-SMDDNHRTSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001008180706 753431533 /nfs/dbraw/zinc/43/15/33/753431533.db2.gz BWLKNAMLIJRZLM-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nccnc2C)[C@@H]1C ZINC001088631365 753431676 /nfs/dbraw/zinc/43/16/76/753431676.db2.gz HGGSXQCYEABEJQ-RYRKJORJSA-N 1 1 341.459 0.962 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nccnc2C)[C@@H]1C ZINC001088631365 753431679 /nfs/dbraw/zinc/43/16/79/753431679.db2.gz HGGSXQCYEABEJQ-RYRKJORJSA-N 1 1 341.459 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2CCOC2)C(C)(C)C1 ZINC001008214622 753471423 /nfs/dbraw/zinc/47/14/23/753471423.db2.gz FHRJFGGOUWNEPU-HRCADAONSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2CCOC2)C(C)(C)C1 ZINC001008214622 753471426 /nfs/dbraw/zinc/47/14/26/753471426.db2.gz FHRJFGGOUWNEPU-HRCADAONSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2cnon2)CC1(C)C ZINC001008276406 753538908 /nfs/dbraw/zinc/53/89/08/753538908.db2.gz KNKDCJAJVCRMFL-KBPBESRZSA-N 1 1 345.403 0.134 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2cnon2)CC1(C)C ZINC001008276406 753538912 /nfs/dbraw/zinc/53/89/12/753538912.db2.gz KNKDCJAJVCRMFL-KBPBESRZSA-N 1 1 345.403 0.134 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H](O)C(C)C)CC1(C)C ZINC001008276752 753539043 /nfs/dbraw/zinc/53/90/43/753539043.db2.gz LOKBEPWCDYTEHU-ARFHVFGLSA-N 1 1 349.475 0.454 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H](O)C(C)C)CC1(C)C ZINC001008276752 753539047 /nfs/dbraw/zinc/53/90/47/753539047.db2.gz LOKBEPWCDYTEHU-ARFHVFGLSA-N 1 1 349.475 0.454 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2cocn2)CC1(C)C ZINC001008277467 753539896 /nfs/dbraw/zinc/53/98/96/753539896.db2.gz ORRPAKGBCHAOFT-GJZGRUSLSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2cocn2)CC1(C)C ZINC001008277467 753539899 /nfs/dbraw/zinc/53/98/99/753539899.db2.gz ORRPAKGBCHAOFT-GJZGRUSLSA-N 1 1 344.415 0.739 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)nn1 ZINC001098680736 753583362 /nfs/dbraw/zinc/58/33/62/753583362.db2.gz IRGDPCQITRSACZ-DZGCQCFKSA-N 1 1 346.435 0.196 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CCCO3)[C@@H](O)C2)cc1 ZINC001083351810 753645016 /nfs/dbraw/zinc/64/50/16/753645016.db2.gz OWZZKOLDCGFRGJ-ZACQAIPSSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CCCO3)[C@@H](O)C2)cc1 ZINC001083351810 753645019 /nfs/dbraw/zinc/64/50/19/753645019.db2.gz OWZZKOLDCGFRGJ-ZACQAIPSSA-N 1 1 329.400 0.789 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3ncc[nH]3)CC2)C1=O ZINC000982796069 753722284 /nfs/dbraw/zinc/72/22/84/753722284.db2.gz RKQHQVURYDLVOW-AWEZNQCLSA-N 1 1 331.420 0.273 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3ncc[nH]3)CC2)C1=O ZINC000982796069 753722286 /nfs/dbraw/zinc/72/22/86/753722286.db2.gz RKQHQVURYDLVOW-AWEZNQCLSA-N 1 1 331.420 0.273 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@]2(C)C1 ZINC000982797759 753750974 /nfs/dbraw/zinc/75/09/74/753750974.db2.gz IGBIRCIEKBBBDZ-CALCHBBNSA-N 1 1 332.404 0.456 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001008465683 753769332 /nfs/dbraw/zinc/76/93/32/753769332.db2.gz AAWHXHSONBQFIR-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001008465683 753769334 /nfs/dbraw/zinc/76/93/34/753769334.db2.gz AAWHXHSONBQFIR-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)nn1 ZINC001098685956 753800056 /nfs/dbraw/zinc/80/00/56/753800056.db2.gz VRYDAIQLGUAQDD-DZGCQCFKSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001028598075 753857230 /nfs/dbraw/zinc/85/72/30/753857230.db2.gz LSSTVGYLUVWPTE-YOEHRIQHSA-N 1 1 325.412 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2noc(CC)n2)C1 ZINC001028601427 753880519 /nfs/dbraw/zinc/88/05/19/753880519.db2.gz OBYOODGFTKZBJT-CABCVRRESA-N 1 1 345.447 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2noc(CC)n2)C1 ZINC001028601427 753880524 /nfs/dbraw/zinc/88/05/24/753880524.db2.gz OBYOODGFTKZBJT-CABCVRRESA-N 1 1 345.447 0.668 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001008570549 753922889 /nfs/dbraw/zinc/92/28/89/753922889.db2.gz LBOPQGKVEKYDLJ-HOTGVXAUSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001008570549 753922893 /nfs/dbraw/zinc/92/28/93/753922893.db2.gz LBOPQGKVEKYDLJ-HOTGVXAUSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989480595 754016399 /nfs/dbraw/zinc/01/63/99/754016399.db2.gz IYJZBQSPIWSXFZ-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000982864937 754029152 /nfs/dbraw/zinc/02/91/52/754029152.db2.gz UWFOOZKGGLLHDF-OWCLPIDISA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000982864937 754029163 /nfs/dbraw/zinc/02/91/63/754029163.db2.gz UWFOOZKGGLLHDF-OWCLPIDISA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@H]1[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)CC[N@H+]1C ZINC000925321077 754046167 /nfs/dbraw/zinc/04/61/67/754046167.db2.gz OKVFUXUPFZNERP-DZGCQCFKSA-N 1 1 328.420 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028638125 754110004 /nfs/dbraw/zinc/11/00/04/754110004.db2.gz DGOUNBQPKIRSDS-LBPRGKRZSA-N 1 1 341.433 0.945 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC001075944666 754142380 /nfs/dbraw/zinc/14/23/80/754142380.db2.gz JZEAXMXBSCSQSC-DZGCQCFKSA-N 1 1 338.473 0.920 20 30 ECEDMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC001051523250 762273293 /nfs/dbraw/zinc/27/32/93/762273293.db2.gz ASJBKUXTDUSPQE-GFCCVEGCSA-N 1 1 330.348 0.209 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001008844513 754193579 /nfs/dbraw/zinc/19/35/79/754193579.db2.gz HZMRLWDJFINRPE-PMPSAXMXSA-N 1 1 333.436 0.840 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnccn2)C1 ZINC000982923481 754210609 /nfs/dbraw/zinc/21/06/09/754210609.db2.gz PLHSXVONDDSKSO-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnccn2)C1 ZINC000982923481 754210615 /nfs/dbraw/zinc/21/06/15/754210615.db2.gz PLHSXVONDDSKSO-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001008886953 754260644 /nfs/dbraw/zinc/26/06/44/754260644.db2.gz XYNZSWCHDVIGRA-HGTKMLMNSA-N 1 1 341.415 0.415 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001008986471 754388546 /nfs/dbraw/zinc/38/85/46/754388546.db2.gz PFKMLEZSPUYEKK-UONOGXRCSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001008986471 754388556 /nfs/dbraw/zinc/38/85/56/754388556.db2.gz PFKMLEZSPUYEKK-UONOGXRCSA-N 1 1 331.420 0.320 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001009124894 754556301 /nfs/dbraw/zinc/55/63/01/754556301.db2.gz SVPXBOCGJSVWDL-CQSZACIVSA-N 1 1 333.436 0.538 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4ccn[nH]4)CCC[C@H]23)C1=O ZINC000989969042 754602876 /nfs/dbraw/zinc/60/28/76/754602876.db2.gz GBGROIZWYBPWQP-RLFYNMQTSA-N 1 1 343.431 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccco3)C[C@H]21 ZINC001009189337 754631740 /nfs/dbraw/zinc/63/17/40/754631740.db2.gz JBRHPETUZZUWGR-JONQDZQNSA-N 1 1 341.411 0.811 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccco3)C[C@H]21 ZINC001009189337 754631742 /nfs/dbraw/zinc/63/17/42/754631742.db2.gz JBRHPETUZZUWGR-JONQDZQNSA-N 1 1 341.411 0.811 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001105873007 762318977 /nfs/dbraw/zinc/31/89/77/762318977.db2.gz HMBIBAVTEDQGKC-JKSUJKDBSA-N 1 1 331.420 0.717 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001060007879 754690351 /nfs/dbraw/zinc/69/03/51/754690351.db2.gz QULOPJZATRYXFY-HZPDHXFCSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001060007879 754690356 /nfs/dbraw/zinc/69/03/56/754690356.db2.gz QULOPJZATRYXFY-HZPDHXFCSA-N 1 1 343.431 0.934 20 30 ECEDMO CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccn[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105611509 754736703 /nfs/dbraw/zinc/73/67/03/754736703.db2.gz SCZGWQWMMDGAOZ-FPAYPSAMSA-N 1 1 344.459 0.942 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001105874012 762332287 /nfs/dbraw/zinc/33/22/87/762332287.db2.gz YWFRIZOTPNTQLQ-ZBFHGGJFSA-N 1 1 331.420 0.139 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001028707780 754778464 /nfs/dbraw/zinc/77/84/64/754778464.db2.gz XCDSVWWGOPSHAW-HIFRSBDPSA-N 1 1 331.420 0.770 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001028710299 754788673 /nfs/dbraw/zinc/78/86/73/754788673.db2.gz TYJYLMDAQYMJAB-KURKYZTESA-N 1 1 349.475 0.328 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990165910 754795113 /nfs/dbraw/zinc/79/51/13/754795113.db2.gz ZBXTWWFVBDWNMQ-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC001088702866 754801224 /nfs/dbraw/zinc/80/12/24/754801224.db2.gz NUKHGOZMBZVXHE-MNOVXSKESA-N 1 1 325.390 0.143 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC001088702866 754801228 /nfs/dbraw/zinc/80/12/28/754801228.db2.gz NUKHGOZMBZVXHE-MNOVXSKESA-N 1 1 325.390 0.143 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001028725174 754861776 /nfs/dbraw/zinc/86/17/76/754861776.db2.gz VMMARQNYOSERJQ-GFCCVEGCSA-N 1 1 330.396 0.322 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1)c1nncn1C ZINC001051562536 762343147 /nfs/dbraw/zinc/34/31/47/762343147.db2.gz HYENKSOSIVZHSC-SMDDNHRTSA-N 1 1 343.391 0.207 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)cc1 ZINC001028731125 754887916 /nfs/dbraw/zinc/88/79/16/754887916.db2.gz ZYYOTYLJDCHAAK-NVXWUHKLSA-N 1 1 325.412 0.998 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C)nc2)C1 ZINC000990262876 754906010 /nfs/dbraw/zinc/90/60/10/754906010.db2.gz UQZXVGZOZBFVQJ-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C)nc2)C1 ZINC000990262876 754906012 /nfs/dbraw/zinc/90/60/12/754906012.db2.gz UQZXVGZOZBFVQJ-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC001051563057 762345333 /nfs/dbraw/zinc/34/53/33/762345333.db2.gz NUTOSXBCOIPBSI-OAHLLOKOSA-N 1 1 343.391 0.129 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028735206 754915798 /nfs/dbraw/zinc/91/57/98/754915798.db2.gz IOBQGRJATCBUSA-LRDDRELGSA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028735206 754915802 /nfs/dbraw/zinc/91/58/02/754915802.db2.gz IOBQGRJATCBUSA-LRDDRELGSA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)[nH]1 ZINC001075696859 754930796 /nfs/dbraw/zinc/93/07/96/754930796.db2.gz WNKPAZDHGNCIIY-XJKSGUPXSA-N 1 1 341.415 0.655 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001028746953 754957547 /nfs/dbraw/zinc/95/75/47/754957547.db2.gz UVMCPYIFRFSWEU-SECBINFHSA-N 1 1 329.202 0.170 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001028746953 754957549 /nfs/dbraw/zinc/95/75/49/754957549.db2.gz UVMCPYIFRFSWEU-SECBINFHSA-N 1 1 329.202 0.170 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cc(Cl)c(=O)[nH]n2)C1 ZINC001059106850 754981547 /nfs/dbraw/zinc/98/15/47/754981547.db2.gz UNICTRQDQYEXFN-AAEUAGOBSA-N 1 1 349.822 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cc(Cl)c(=O)[nH]n2)C1 ZINC001059106850 754981549 /nfs/dbraw/zinc/98/15/49/754981549.db2.gz UNICTRQDQYEXFN-AAEUAGOBSA-N 1 1 349.822 0.946 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)c[nH]1 ZINC001075698866 755026996 /nfs/dbraw/zinc/02/69/96/755026996.db2.gz MEMWXSLRRLJGQZ-SWLSCSKDSA-N 1 1 327.388 0.265 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)c[nH]1 ZINC001075698866 755026999 /nfs/dbraw/zinc/02/69/99/755026999.db2.gz MEMWXSLRRLJGQZ-SWLSCSKDSA-N 1 1 327.388 0.265 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)O1 ZINC001059108931 755032494 /nfs/dbraw/zinc/03/24/94/755032494.db2.gz PJDFRLBWQUYISR-MBNYWOFBSA-N 1 1 330.392 0.080 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)O1 ZINC001059108931 755032497 /nfs/dbraw/zinc/03/24/97/755032497.db2.gz PJDFRLBWQUYISR-MBNYWOFBSA-N 1 1 330.392 0.080 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@]2(C)C1 ZINC001101247850 755099796 /nfs/dbraw/zinc/09/97/96/755099796.db2.gz VFXPLPZULTYOBN-ZBFHGGJFSA-N 1 1 342.461 0.014 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnnn3CC)C2)c1 ZINC001028792145 755137483 /nfs/dbraw/zinc/13/74/83/755137483.db2.gz DEMFLOSRWKTQLQ-HNNXBMFYSA-N 1 1 338.415 0.926 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnnn3CC)C2)c1 ZINC001028792145 755137489 /nfs/dbraw/zinc/13/74/89/755137489.db2.gz DEMFLOSRWKTQLQ-HNNXBMFYSA-N 1 1 338.415 0.926 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@@H](O)C1 ZINC001083468376 755176174 /nfs/dbraw/zinc/17/61/74/755176174.db2.gz VAGDJUOIPVYIST-VQHPVUNQSA-N 1 1 342.443 0.339 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCn2nc(C)nc2C)C1 ZINC001028809051 755198012 /nfs/dbraw/zinc/19/80/12/755198012.db2.gz JYLZXIGHEGJHNL-BBWFWOEESA-N 1 1 347.463 0.924 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC)C2)cc1 ZINC001028849752 755302958 /nfs/dbraw/zinc/30/29/58/755302958.db2.gz JVFMABTWGZVGMO-CQSZACIVSA-N 1 1 329.400 0.496 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000990518711 755315217 /nfs/dbraw/zinc/31/52/17/755315217.db2.gz SBBWXAGHRKRRCM-AWEZNQCLSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]([C@@H](C)c3nc(C)no3)C2)nn1 ZINC001028853116 755315476 /nfs/dbraw/zinc/31/54/76/755315476.db2.gz PISHVKPZOBZPOW-WCQYABFASA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)c3nc(C)no3)C2)nn1 ZINC001028853116 755315483 /nfs/dbraw/zinc/31/54/83/755315483.db2.gz PISHVKPZOBZPOW-WCQYABFASA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCn3cncn3)C2)nn1 ZINC001028857766 755322385 /nfs/dbraw/zinc/32/23/85/755322385.db2.gz KKBQPJSYIWTGNH-AWEZNQCLSA-N 1 1 344.423 0.198 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001028898402 755429958 /nfs/dbraw/zinc/42/99/58/755429958.db2.gz CGWYNTSATHXQOZ-GJZGRUSLSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3oncc3C)C2)C1=O ZINC001028902907 755442366 /nfs/dbraw/zinc/44/23/66/755442366.db2.gz HYECNINCHGPJGD-KGLIPLIRSA-N 1 1 332.404 0.822 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001028918677 755477141 /nfs/dbraw/zinc/47/71/41/755477141.db2.gz KVWGQQKAGMCFGC-CQSZACIVSA-N 1 1 346.431 0.786 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)nn1 ZINC001098654651 755569668 /nfs/dbraw/zinc/56/96/68/755569668.db2.gz AJSRONQQFHLJKC-ZFWWWQNUSA-N 1 1 347.419 0.670 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1C ZINC001088763216 755597240 /nfs/dbraw/zinc/59/72/40/755597240.db2.gz UZXDYWIZOCIWEU-NCOADZHNSA-N 1 1 335.448 0.078 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)cnn3C)[C@H]2C)C1=O ZINC001088802267 755740539 /nfs/dbraw/zinc/74/05/39/755740539.db2.gz QTLMGVADOWOVEK-ILXRZTDVSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)cnn3C)[C@H]2C)C1=O ZINC001088802267 755740542 /nfs/dbraw/zinc/74/05/42/755740542.db2.gz QTLMGVADOWOVEK-ILXRZTDVSA-N 1 1 345.447 0.708 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2nn3c(c2C)OCCC3)[C@@H](O)C1 ZINC001083508712 755777849 /nfs/dbraw/zinc/77/78/49/755777849.db2.gz WWSFAPUVBMSHRP-KGLIPLIRSA-N 1 1 334.420 0.715 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CN(C)C(C)=O)CC1 ZINC001105672826 755790081 /nfs/dbraw/zinc/79/00/81/755790081.db2.gz CKGUEEURIZSMTA-HDICACEKSA-N 1 1 346.475 0.238 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(C)nc3)C2)C1=O ZINC001010217613 755829987 /nfs/dbraw/zinc/82/99/87/755829987.db2.gz JEHLDEOUQHGURE-CVEARBPZSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C)nc3)C2)C1=O ZINC001010217613 755829992 /nfs/dbraw/zinc/82/99/92/755829992.db2.gz JEHLDEOUQHGURE-CVEARBPZSA-N 1 1 328.416 0.981 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@H]12 ZINC000990761181 755845485 /nfs/dbraw/zinc/84/54/85/755845485.db2.gz IALJQGYBCLTENG-SUMWQHHRSA-N 1 1 346.435 0.456 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@@H](O)C1 ZINC001083517270 755846392 /nfs/dbraw/zinc/84/63/92/755846392.db2.gz ROFDMZWNIBQZTJ-NEPJUHHUSA-N 1 1 331.376 0.025 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3ncncc3C2)[C@@H](O)C1 ZINC001083517193 755848531 /nfs/dbraw/zinc/84/85/31/755848531.db2.gz OPBAJFHRCYAOGV-XKQJLSEDSA-N 1 1 330.432 0.709 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521833 755879101 /nfs/dbraw/zinc/87/91/01/755879101.db2.gz JJSNXEGCBTYWAD-KFWWJZLASA-N 1 1 329.872 0.878 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4sccn4c3=O)[C@@H]2C1 ZINC001076007674 755948881 /nfs/dbraw/zinc/94/88/81/755948881.db2.gz JZFMEDKNPYPYIB-GXTWGEPZSA-N 1 1 342.424 0.926 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)[C@@H](O)C1 ZINC001083531387 755952705 /nfs/dbraw/zinc/95/27/05/755952705.db2.gz LOLHAUZNFIOMOB-XHSDSOJGSA-N 1 1 329.400 0.251 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088828813 755960888 /nfs/dbraw/zinc/96/08/88/755960888.db2.gz VRWIMSUXJFIDOD-WKPIXPDZSA-N 1 1 345.378 0.458 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088828813 755960891 /nfs/dbraw/zinc/96/08/91/755960891.db2.gz VRWIMSUXJFIDOD-WKPIXPDZSA-N 1 1 345.378 0.458 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)[C@@H](O)C1 ZINC001083533534 755966462 /nfs/dbraw/zinc/96/64/62/755966462.db2.gz WBSQBGCRYQUKSG-CVEARBPZSA-N 1 1 329.400 0.461 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2ncccn2)[C@@H](O)C1 ZINC001083539431 756025197 /nfs/dbraw/zinc/02/51/97/756025197.db2.gz XTUSADUUAYZDPD-ILXRZTDVSA-N 1 1 331.420 0.183 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001076103131 756083343 /nfs/dbraw/zinc/08/33/43/756083343.db2.gz IGMTWKFLKBRIRJ-DZGCQCFKSA-N 1 1 344.415 0.685 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnccc3C)C2)C1=O ZINC001010425702 756120673 /nfs/dbraw/zinc/12/06/73/756120673.db2.gz BKZMYIYXIDIZNH-ZBFHGGJFSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnccc3C)C2)C1=O ZINC001010425702 756120676 /nfs/dbraw/zinc/12/06/76/756120676.db2.gz BKZMYIYXIDIZNH-ZBFHGGJFSA-N 1 1 328.416 0.981 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001060101182 756129555 /nfs/dbraw/zinc/12/95/55/756129555.db2.gz RYUXUOMBFUSOIT-RBSFLKMASA-N 1 1 342.447 0.761 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001076177566 756177073 /nfs/dbraw/zinc/17/70/73/756177073.db2.gz HGFDBNGLNNRVGG-STQMWFEESA-N 1 1 331.420 0.853 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)cc1 ZINC001076196666 756203012 /nfs/dbraw/zinc/20/30/12/756203012.db2.gz NHEZAVBVKMPZBG-HRCADAONSA-N 1 1 339.399 0.272 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[C@H](C)OC ZINC001076233416 756254626 /nfs/dbraw/zinc/25/46/26/756254626.db2.gz VUZMLFXDZABLPL-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[C@H](C)OC ZINC001076233416 756254629 /nfs/dbraw/zinc/25/46/29/756254629.db2.gz VUZMLFXDZABLPL-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CCOc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000991650253 762458844 /nfs/dbraw/zinc/45/88/44/762458844.db2.gz IVIMCLRVIUNSFA-QGZVFWFLSA-N 1 1 341.411 0.733 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)[nH]1 ZINC001010641304 756339591 /nfs/dbraw/zinc/33/95/91/756339591.db2.gz AZSJQFSRIAFTJD-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)[nH]1 ZINC001010641304 756339595 /nfs/dbraw/zinc/33/95/95/756339595.db2.gz AZSJQFSRIAFTJD-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@H]12 ZINC000991651454 762461191 /nfs/dbraw/zinc/46/11/91/762461191.db2.gz CSCRVNTXZGFHGM-SUMWQHHRSA-N 1 1 332.404 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=COCCC2)CC1 ZINC001010658532 756360956 /nfs/dbraw/zinc/36/09/56/756360956.db2.gz WAGKNVFMJNTBMF-INIZCTEOSA-N 1 1 331.416 0.449 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=COCCC2)CC1 ZINC001010658532 756360962 /nfs/dbraw/zinc/36/09/62/756360962.db2.gz WAGKNVFMJNTBMF-INIZCTEOSA-N 1 1 331.416 0.449 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C2)[nH]1 ZINC001010659857 756362101 /nfs/dbraw/zinc/36/21/01/756362101.db2.gz XJHLENVISGOIPB-CJNGLKHVSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C4CCC4)C3=O)C2)[nH]1 ZINC001010659857 756362105 /nfs/dbraw/zinc/36/21/05/756362105.db2.gz XJHLENVISGOIPB-CJNGLKHVSA-N 1 1 341.415 0.844 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3csc(-c4nc[nH]n4)n3)[C@@H]2C1 ZINC001076355187 756409462 /nfs/dbraw/zinc/40/94/62/756409462.db2.gz ZVMAQNWYFVATTG-CMPLNLGQSA-N 1 1 328.401 0.708 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3csc(-c4nc[nH]n4)n3)[C@@H]2C1 ZINC001076355187 756409468 /nfs/dbraw/zinc/40/94/68/756409468.db2.gz ZVMAQNWYFVATTG-CMPLNLGQSA-N 1 1 328.401 0.708 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001010733603 756460191 /nfs/dbraw/zinc/46/01/91/756460191.db2.gz YWBKMMYWBUXIRI-XHSDSOJGSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC2CCOCC2)CC1 ZINC001010786777 756518949 /nfs/dbraw/zinc/51/89/49/756518949.db2.gz DMVTXXSXHWLHIY-KRWDZBQOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC2CCOCC2)CC1 ZINC001010786777 756518952 /nfs/dbraw/zinc/51/89/52/756518952.db2.gz DMVTXXSXHWLHIY-KRWDZBQOSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001010809496 756551221 /nfs/dbraw/zinc/55/12/21/756551221.db2.gz FIRITEBSQXIKGB-KBPBESRZSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001010809496 756551225 /nfs/dbraw/zinc/55/12/25/756551225.db2.gz FIRITEBSQXIKGB-KBPBESRZSA-N 1 1 331.420 0.494 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1C#N ZINC001010841020 756589630 /nfs/dbraw/zinc/58/96/30/756589630.db2.gz MDDADXUROAXBPM-ZIAGYGMSSA-N 1 1 344.371 0.366 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1C#N ZINC001010841020 756589633 /nfs/dbraw/zinc/58/96/33/756589633.db2.gz MDDADXUROAXBPM-ZIAGYGMSSA-N 1 1 344.371 0.366 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001010979418 756721706 /nfs/dbraw/zinc/72/17/06/756721706.db2.gz VMKWYGQOJIYMPQ-IHETXDGRSA-N 1 1 332.448 0.795 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001011006564 756755819 /nfs/dbraw/zinc/75/58/19/756755819.db2.gz NDCFKNUOHAKDJW-HOTGVXAUSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001011006564 756755820 /nfs/dbraw/zinc/75/58/20/756755820.db2.gz NDCFKNUOHAKDJW-HOTGVXAUSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(-n4cncn4)c3)[C@@H]2C1 ZINC001076635121 756766072 /nfs/dbraw/zinc/76/60/72/756766072.db2.gz KSJVUVXPWHBWSW-JKSUJKDBSA-N 1 1 336.399 0.832 20 30 ECEDMO CCCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)c1cnc(C#N)cn1 ZINC001101115428 756769966 /nfs/dbraw/zinc/76/99/66/756769966.db2.gz FDUYDEQBZPQICQ-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO CCCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1cnc(C#N)cn1 ZINC001101115428 756769968 /nfs/dbraw/zinc/76/99/68/756769968.db2.gz FDUYDEQBZPQICQ-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2csnc2C)CC1 ZINC001011026774 756788431 /nfs/dbraw/zinc/78/84/31/756788431.db2.gz IUCQMBDXVUMOBQ-HNNXBMFYSA-N 1 1 346.456 0.834 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2csnc2C)CC1 ZINC001011026774 756788435 /nfs/dbraw/zinc/78/84/35/756788435.db2.gz IUCQMBDXVUMOBQ-HNNXBMFYSA-N 1 1 346.456 0.834 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)sn2)CC1 ZINC001011056936 756845656 /nfs/dbraw/zinc/84/56/56/756845656.db2.gz ORIACEJHVPPEOK-HNNXBMFYSA-N 1 1 346.456 0.834 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)sn2)CC1 ZINC001011056936 756845663 /nfs/dbraw/zinc/84/56/63/756845663.db2.gz ORIACEJHVPPEOK-HNNXBMFYSA-N 1 1 346.456 0.834 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)N(CCOC)C3)CCC[C@H]12 ZINC000990938864 756926201 /nfs/dbraw/zinc/92/62/01/756926201.db2.gz YGQFZFAXVBNAIR-JTDSTZFVSA-N 1 1 347.459 0.618 20 30 ECEDMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)C1=O ZINC001048771395 756944695 /nfs/dbraw/zinc/94/46/95/756944695.db2.gz KCDOZMZWVXQFEI-ZOWXZIJZSA-N 1 1 327.388 0.121 20 30 ECEDMO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001076746970 756955557 /nfs/dbraw/zinc/95/55/57/756955557.db2.gz JIALQJDQAGUFND-RRFJBIMHSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CNC(=O)CCC)nn2)C1 ZINC001107140455 756960887 /nfs/dbraw/zinc/96/08/87/756960887.db2.gz FQRHLZXJCHYAQE-UHFFFAOYSA-N 1 1 334.424 0.243 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnns4)C[C@@H]3C2)c[nH]1 ZINC001048779663 756967943 /nfs/dbraw/zinc/96/79/43/756967943.db2.gz ZUPVWJSDJFBAGY-TXEJJXNPSA-N 1 1 328.401 0.942 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnns4)C[C@@H]3C2)c[nH]1 ZINC001048779663 756967951 /nfs/dbraw/zinc/96/79/51/756967951.db2.gz ZUPVWJSDJFBAGY-TXEJJXNPSA-N 1 1 328.401 0.942 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)nn1 ZINC001011155140 757047917 /nfs/dbraw/zinc/04/79/17/757047917.db2.gz CXAHAOUMSVUKCY-CQSZACIVSA-N 1 1 346.435 0.090 20 30 ECEDMO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](CC[C@@H]3CCCCO3)C2)nn1 ZINC001107149990 757053930 /nfs/dbraw/zinc/05/39/30/757053930.db2.gz XMZQXYMTTJWNBX-CJNGLKHVSA-N 1 1 346.435 0.870 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccn(C4CCOCC4)n3)C[C@H]2C1 ZINC001048820831 757103807 /nfs/dbraw/zinc/10/38/07/757103807.db2.gz QHIWFRMJZAWACK-GASCZTMLSA-N 1 1 328.416 0.872 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]2C1 ZINC001048826901 757123047 /nfs/dbraw/zinc/12/30/47/757123047.db2.gz NKDXHKFMRRUZGD-LEOABGAYSA-N 1 1 335.448 0.622 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001011190894 757159963 /nfs/dbraw/zinc/15/99/63/757159963.db2.gz YCRQJILAVLNYAG-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001011190894 757159966 /nfs/dbraw/zinc/15/99/66/757159966.db2.gz YCRQJILAVLNYAG-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001011201428 757179125 /nfs/dbraw/zinc/17/91/25/757179125.db2.gz SVWLJKYSPHGWGG-BQFCYCMXSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](C[C@H](CC)OC)C2)nn1 ZINC001107169561 757206588 /nfs/dbraw/zinc/20/65/88/757206588.db2.gz OAYUBXQWXHPJSG-BBRMVZONSA-N 1 1 349.435 0.214 20 30 ECEDMO CC(C)OCCC[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107170735 757210175 /nfs/dbraw/zinc/21/01/75/757210175.db2.gz AZQWXHFBLHOFLJ-UHFFFAOYSA-N 1 1 345.447 0.980 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3nnc(C)o3)C2)nn1 ZINC001098666981 757251976 /nfs/dbraw/zinc/25/19/76/757251976.db2.gz NMOJUAKGDLUNTO-AWEZNQCLSA-N 1 1 345.407 0.651 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CO4)C[C@H]2C1 ZINC001048874686 757255545 /nfs/dbraw/zinc/25/55/45/757255545.db2.gz MRPUDOAQLFUCSI-OKILXGFUSA-N 1 1 325.368 0.655 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001011239345 757266134 /nfs/dbraw/zinc/26/61/34/757266134.db2.gz KNXAZVZBZZBQSQ-HUUCEWRRSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12 ZINC000990996797 757284296 /nfs/dbraw/zinc/28/42/96/757284296.db2.gz LWHUJFURFYQZEI-GDBMZVCRSA-N 1 1 341.477 0.711 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001068464532 790324243 /nfs/dbraw/zinc/32/42/43/790324243.db2.gz POEBIYMFHBABGS-RCBQFDQVSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001068464532 790324258 /nfs/dbraw/zinc/32/42/58/790324258.db2.gz POEBIYMFHBABGS-RCBQFDQVSA-N 1 1 329.404 0.591 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3nc(OC)cc(OC)n3)C[C@H]2C1 ZINC001048895016 757320548 /nfs/dbraw/zinc/32/05/48/757320548.db2.gz LRQPPXAQJZXKNV-BETUJISGSA-N 1 1 330.388 0.521 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2c2ccnc(C#N)n2)C1 ZINC001060145397 757339101 /nfs/dbraw/zinc/33/91/01/757339101.db2.gz QMHFURGWFKFQHA-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cncn4C)C[C@H]3C2)C1=O ZINC001048921680 757420572 /nfs/dbraw/zinc/42/05/72/757420572.db2.gz VTZLWXLNPVZRKD-ZNMIVQPWSA-N 1 1 343.431 0.211 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001048922944 757423489 /nfs/dbraw/zinc/42/34/89/757423489.db2.gz DPLXITWQVGUVSN-YVSFHVDLSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@]3(COC)CCOC3)nn2)C1 ZINC001107189688 757427259 /nfs/dbraw/zinc/42/72/59/757427259.db2.gz FAUZDHTXOBHVRV-QGZVFWFLSA-N 1 1 349.435 0.380 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3cncnc3)nn2)C1 ZINC001107199824 757588123 /nfs/dbraw/zinc/58/81/23/757588123.db2.gz PSAXEHVGSUBQKH-CYBMUJFWSA-N 1 1 341.419 0.921 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001105900560 762560812 /nfs/dbraw/zinc/56/08/12/762560812.db2.gz PDRGLVCBKJBQIM-OAHLLOKOSA-N 1 1 342.403 0.250 20 30 ECEDMO C#CCOc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000991667363 762563942 /nfs/dbraw/zinc/56/39/42/762563942.db2.gz RSAAUQJIGZGRTR-OAHLLOKOSA-N 1 1 341.411 0.591 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(=O)n(C)cn2)C1 ZINC001021607118 757679012 /nfs/dbraw/zinc/67/90/12/757679012.db2.gz MHCMJJFYRQMNPV-GOEBONIOSA-N 1 1 328.416 0.730 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021617578 757690488 /nfs/dbraw/zinc/69/04/88/757690488.db2.gz VYYWCSQLZWQUCD-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)C[N@@H+](C)CC(C)(C)C)nn2)C1 ZINC001107211411 757700489 /nfs/dbraw/zinc/70/04/89/757700489.db2.gz QKSGVMLXVMNNBN-UHFFFAOYSA-N 1 1 346.479 0.752 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001021633794 757716140 /nfs/dbraw/zinc/71/61/40/757716140.db2.gz UMCJPPLYUSAUGN-ZFWWWQNUSA-N 1 1 329.400 0.943 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C)NC(=O)C#CC1CC1 ZINC001076953395 757722190 /nfs/dbraw/zinc/72/21/90/757722190.db2.gz YEMMEBGWGIIYIT-HOCLYGCPSA-N 1 1 345.447 0.238 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001021653109 757741494 /nfs/dbraw/zinc/74/14/94/757741494.db2.gz TYFOIIGLCAYDDP-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccnc3c2nnn3C)C1 ZINC001021655125 757745031 /nfs/dbraw/zinc/74/50/31/757745031.db2.gz AKSWQLLFMUQTHE-DZGCQCFKSA-N 1 1 338.415 0.923 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@H]21 ZINC001021661572 757753766 /nfs/dbraw/zinc/75/37/66/757753766.db2.gz PKEDFEJXJZQFDZ-IAGOWNOFSA-N 1 1 325.412 0.836 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)cc1F ZINC001021662532 757754573 /nfs/dbraw/zinc/75/45/73/757754573.db2.gz WJMAWHFADGSRGI-GOEBONIOSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)c1 ZINC001021662419 757754604 /nfs/dbraw/zinc/75/46/04/757754604.db2.gz VITRSCPUOVAGIY-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]3C2)c1 ZINC001049047844 757774422 /nfs/dbraw/zinc/77/44/22/757774422.db2.gz SOQPHOUYZQWSEP-XYPHTWIQSA-N 1 1 340.427 0.543 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001049048027 757776438 /nfs/dbraw/zinc/77/64/38/757776438.db2.gz GAMZLTWXYBPEQW-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001021711047 757844129 /nfs/dbraw/zinc/84/41/29/757844129.db2.gz RPZOZUVGVJMQIE-UONOGXRCSA-N 1 1 348.447 0.816 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021714399 757851128 /nfs/dbraw/zinc/85/11/28/757851128.db2.gz XCGBECOCAWEVQN-GJZGRUSLSA-N 1 1 346.431 0.217 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1 ZINC001049068668 757870130 /nfs/dbraw/zinc/87/01/30/757870130.db2.gz YPLLZYXCBMUHSJ-JJTUDDRGSA-N 1 1 347.459 0.589 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3CC)C[C@@H]2C1 ZINC001049069466 757873903 /nfs/dbraw/zinc/87/39/03/757873903.db2.gz HWRVLUQQRFXMJL-WTTBNOFXSA-N 1 1 345.447 0.779 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001021730731 757874014 /nfs/dbraw/zinc/87/40/14/757874014.db2.gz PXRWJLMSZMGYAZ-HUUCEWRRSA-N 1 1 348.447 0.817 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cncn3C)C[C@@H]2C1 ZINC001049069638 757874834 /nfs/dbraw/zinc/87/48/34/757874834.db2.gz KEECTRMMEPDMIF-WTTBNOFXSA-N 1 1 330.432 0.901 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021731412 757875646 /nfs/dbraw/zinc/87/56/46/757875646.db2.gz VHSORRHEOZYWKS-GJZGRUSLSA-N 1 1 348.447 0.769 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021733612 757878948 /nfs/dbraw/zinc/87/89/48/757878948.db2.gz PTIPTWFWSIRZNZ-HIFRSBDPSA-N 1 1 344.415 0.436 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C3(C(=O)N(C)C)CC3)nn2)C1 ZINC001107227041 757885786 /nfs/dbraw/zinc/88/57/86/757885786.db2.gz BIUBWOYNWHBMHR-UHFFFAOYSA-N 1 1 346.435 0.196 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001076996608 757896726 /nfs/dbraw/zinc/89/67/26/757896726.db2.gz GAKXUFCEZMCMOC-DJIMGWMZSA-N 1 1 348.447 0.894 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001021756521 757905892 /nfs/dbraw/zinc/90/58/92/757905892.db2.gz HXTYKHSMHUGTDC-GDBMZVCRSA-N 1 1 326.400 0.740 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC45CC5)C[C@H]3C2)C1=O ZINC001049081131 757908104 /nfs/dbraw/zinc/90/81/04/757908104.db2.gz HXGJJMLGQHCXRO-XUWVNRHRSA-N 1 1 329.444 0.964 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccn(C)n4)C[C@@H]3C2)nn1 ZINC001049103684 757966278 /nfs/dbraw/zinc/96/62/78/757966278.db2.gz SNTQSOWFFHLSHM-OKILXGFUSA-N 1 1 341.419 0.402 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccn(C)n4)C[C@@H]3C2)nn1 ZINC001049103684 757966280 /nfs/dbraw/zinc/96/62/80/757966280.db2.gz SNTQSOWFFHLSHM-OKILXGFUSA-N 1 1 341.419 0.402 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049111437 757987820 /nfs/dbraw/zinc/98/78/20/757987820.db2.gz QGQUCLGFEMPFCZ-NNXHMXCWSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3cnn(C)c3)nn2)C1 ZINC001107238871 758033900 /nfs/dbraw/zinc/03/39/00/758033900.db2.gz URIHCJKACUUTPQ-UHFFFAOYSA-N 1 1 343.435 0.693 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)n(C)n2)C1=O ZINC001032303645 758083220 /nfs/dbraw/zinc/08/32/20/758083220.db2.gz DJDWBSDYCTXLLQ-OFQRWUPVSA-N 1 1 343.431 0.414 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)n(C)n2)C1=O ZINC001032303645 758083227 /nfs/dbraw/zinc/08/32/27/758083227.db2.gz DJDWBSDYCTXLLQ-OFQRWUPVSA-N 1 1 343.431 0.414 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001051653893 762598463 /nfs/dbraw/zinc/59/84/63/762598463.db2.gz BOLAZLYYMGFABC-AWEZNQCLSA-N 1 1 344.419 0.433 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCO3)CCC[C@@H]12 ZINC001107266844 758110084 /nfs/dbraw/zinc/11/00/84/758110084.db2.gz RFHKBMCGOVTAHN-IIDMSEBBSA-N 1 1 333.432 0.276 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cccn3C)CCC[C@@H]12 ZINC001107281418 758155119 /nfs/dbraw/zinc/15/51/19/758155119.db2.gz AUYUELPIKADLDV-VQIMIIECSA-N 1 1 342.443 0.749 20 30 ECEDMO CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107298095 758196863 /nfs/dbraw/zinc/19/68/63/758196863.db2.gz HHPNAGNONRLZNB-JJRVBVJISA-N 1 1 336.436 0.412 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnnn4C)C[C@@H]3C2)cn1 ZINC001049178008 758233474 /nfs/dbraw/zinc/23/34/74/758233474.db2.gz ZDIAARZIOCFXMI-GASCZTMLSA-N 1 1 336.399 0.395 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001077124862 758287282 /nfs/dbraw/zinc/28/72/82/758287282.db2.gz GXGSWHIDHOPZDM-KBPBESRZSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001077124862 758287288 /nfs/dbraw/zinc/28/72/88/758287288.db2.gz GXGSWHIDHOPZDM-KBPBESRZSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(COC)CCC1 ZINC001077125115 758287872 /nfs/dbraw/zinc/28/78/72/758287872.db2.gz NZKYZJLYJXQUGT-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(COC)CCC1 ZINC001077125115 758287881 /nfs/dbraw/zinc/28/78/81/758287881.db2.gz NZKYZJLYJXQUGT-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](OC)C(C)C ZINC001077125041 758287952 /nfs/dbraw/zinc/28/79/52/758287952.db2.gz KSQRAFZNKFYAGM-HRCADAONSA-N 1 1 337.464 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](OC)C(C)C ZINC001077125041 758287963 /nfs/dbraw/zinc/28/79/63/758287963.db2.gz KSQRAFZNKFYAGM-HRCADAONSA-N 1 1 337.464 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1CC(OC)C1 ZINC001077125426 758291207 /nfs/dbraw/zinc/29/12/07/758291207.db2.gz UXELDNGWDLRSHY-LBDPXKHJSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1CC(OC)C1 ZINC001077125426 758291216 /nfs/dbraw/zinc/29/12/16/758291216.db2.gz UXELDNGWDLRSHY-LBDPXKHJSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(CNC(N)=O)cc3)C[C@H]2C1 ZINC001049208005 758310081 /nfs/dbraw/zinc/31/00/81/758310081.db2.gz ZIFCHPWUZJZQCH-IYBDPMFKSA-N 1 1 326.400 0.492 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)COCCOC)CCC[C@@H]12 ZINC001107337472 758323249 /nfs/dbraw/zinc/32/32/49/758323249.db2.gz CKQSSVJLSGTOBC-SJLPKXTDSA-N 1 1 338.448 0.660 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)c1 ZINC001107349634 758365390 /nfs/dbraw/zinc/36/53/90/758365390.db2.gz KAVYOWGDAOMEGT-SJLPKXTDSA-N 1 1 346.431 0.870 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001014407057 762622756 /nfs/dbraw/zinc/62/27/56/762622756.db2.gz MAXFEXMVZIHSBX-UONOGXRCSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001014407057 762622763 /nfs/dbraw/zinc/62/27/63/762622763.db2.gz MAXFEXMVZIHSBX-UONOGXRCSA-N 1 1 331.420 0.320 20 30 ECEDMO CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC001107363889 758372890 /nfs/dbraw/zinc/37/28/90/758372890.db2.gz UIMMCFRADXQEGV-CRAIPNDOSA-N 1 1 343.431 0.997 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1O ZINC001077159071 758376804 /nfs/dbraw/zinc/37/68/04/758376804.db2.gz MXOXXPORPFJLIZ-FGTMMUONSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001077164721 758395095 /nfs/dbraw/zinc/39/50/95/758395095.db2.gz XRAALKDFAZALEJ-BRSBDYLESA-N 1 1 344.411 0.328 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC)CC2 ZINC001107378686 758408336 /nfs/dbraw/zinc/40/83/36/758408336.db2.gz HDMAFXPNKJJCIU-ZTFGCOKTSA-N 1 1 337.464 0.810 20 30 ECEDMO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#C)CC2 ZINC001107383686 758429760 /nfs/dbraw/zinc/42/97/60/758429760.db2.gz CKWSWXWCPKVIKV-VQIMIIECSA-N 1 1 329.444 0.900 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049249812 758434690 /nfs/dbraw/zinc/43/46/90/758434690.db2.gz POCQZJXNHVAKMA-PMPSAXMXSA-N 1 1 335.448 0.162 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)C#CC1CC1 ZINC001011737897 758445525 /nfs/dbraw/zinc/44/55/25/758445525.db2.gz ANSPCOLMMAMCHN-WFASDCNBSA-N 1 1 344.415 0.869 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ncn(C)n3)CCC[C@@H]12 ZINC001107393337 758450055 /nfs/dbraw/zinc/45/00/55/758450055.db2.gz KSRIBSAUWKWAEP-CXAGYDPISA-N 1 1 346.435 0.092 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nonc1C ZINC001077193459 758474439 /nfs/dbraw/zinc/47/44/39/758474439.db2.gz AAXSQPRGGZVIEI-AAEUAGOBSA-N 1 1 333.392 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nonc1C ZINC001077193459 758474441 /nfs/dbraw/zinc/47/44/41/758474441.db2.gz AAXSQPRGGZVIEI-AAEUAGOBSA-N 1 1 333.392 0.100 20 30 ECEDMO COCCC[NH+]1CC(OC2CCN(C(=O)CSCC#N)CC2)C1 ZINC001105691290 758501528 /nfs/dbraw/zinc/50/15/28/758501528.db2.gz LZNZMUUYRZPYGS-UHFFFAOYSA-N 1 1 341.477 0.971 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)NS(=O)(=O)CC)CCC[C@@H]12 ZINC001107414953 758530991 /nfs/dbraw/zinc/53/09/91/758530991.db2.gz VMANBJCGYKSIPR-SQWLQELKSA-N 1 1 343.493 0.861 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)CNC(=O)c3ccncc3)CCC[C@@H]12 ZINC001107415146 758531049 /nfs/dbraw/zinc/53/10/49/758531049.db2.gz YULWJTRXSMNGCG-VQIMIIECSA-N 1 1 340.427 0.805 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2cn[nH]c2)C1=O ZINC001049339927 758536454 /nfs/dbraw/zinc/53/64/54/758536454.db2.gz GZMJCASWZREURD-OAGGEKHMSA-N 1 1 343.431 0.876 20 30 ECEDMO C=CCOc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022301865 758541969 /nfs/dbraw/zinc/54/19/69/758541969.db2.gz ZKKUDBGFTRGUQE-BETUJISGSA-N 1 1 342.403 0.826 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1O ZINC001049355621 758559720 /nfs/dbraw/zinc/55/97/20/758559720.db2.gz IMAZYYNTUBGBPY-GJZGRUSLSA-N 1 1 325.453 0.715 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC001107439393 758568023 /nfs/dbraw/zinc/56/80/23/758568023.db2.gz ZDXATCBGMNNWIV-CRAIPNDOSA-N 1 1 335.448 0.782 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2nccnc2C#N)C1 ZINC001107465981 758624309 /nfs/dbraw/zinc/62/43/09/758624309.db2.gz SBVWEPWCDFOYPQ-ABCZVMIZSA-N 1 1 344.419 0.542 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)N2CCC2)c1 ZINC001049401180 758633797 /nfs/dbraw/zinc/63/37/97/758633797.db2.gz MSJXELDZRLHNRM-CVEARBPZSA-N 1 1 341.415 0.798 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(C)sc3n2)C1 ZINC001077299890 758742391 /nfs/dbraw/zinc/74/23/91/758742391.db2.gz RWIMKQIKBAPNTN-ZIAGYGMSSA-N 1 1 332.429 0.431 20 30 ECEDMO C#CCN1CC[NH+](C2CCC(NC(=O)Cc3cc(C)n[nH]3)CC2)CC1 ZINC000996764091 758762554 /nfs/dbraw/zinc/76/25/54/758762554.db2.gz IBZZJOTWZOJRHO-UHFFFAOYSA-N 1 1 343.475 0.939 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCN1CCNC1=O ZINC001049468735 758765791 /nfs/dbraw/zinc/76/57/91/758765791.db2.gz XKUPLQVWUZWSGS-HZPDHXFCSA-N 1 1 330.432 0.490 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001049474953 758778571 /nfs/dbraw/zinc/77/85/71/758778571.db2.gz RUWAGICRZGKXLT-LSDHHAIUSA-N 1 1 345.443 0.860 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001049476667 758782497 /nfs/dbraw/zinc/78/24/97/758782497.db2.gz YYBSEFHXOZUZBT-LSDHHAIUSA-N 1 1 345.443 0.860 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001077321955 758792390 /nfs/dbraw/zinc/79/23/90/758792390.db2.gz VKKBIPRHNMLIAS-IAGOWNOFSA-N 1 1 329.400 0.372 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001014425917 762659172 /nfs/dbraw/zinc/65/91/72/762659172.db2.gz NDRQGKLMDHMRQB-ZIAGYGMSSA-N 1 1 331.420 0.919 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001049499847 758809968 /nfs/dbraw/zinc/80/99/68/758809968.db2.gz BKVJPUUXQXLYFO-SOUVJXGZSA-N 1 1 331.416 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001049511764 758831428 /nfs/dbraw/zinc/83/14/28/758831428.db2.gz AFJJKIBCXNNPQK-KBPBESRZSA-N 1 1 339.399 0.986 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001077346635 758851233 /nfs/dbraw/zinc/85/12/33/758851233.db2.gz IGFVJBFUZIYVLE-HZPDHXFCSA-N 1 1 329.400 0.922 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001049556982 758919325 /nfs/dbraw/zinc/91/93/25/758919325.db2.gz DJPKTSFDEUZWCP-RBSFLKMASA-N 1 1 343.431 0.635 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001049560910 758923862 /nfs/dbraw/zinc/92/38/62/758923862.db2.gz YZOYPOIEGSYAIZ-HOTGVXAUSA-N 1 1 349.475 0.552 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001077397171 758992566 /nfs/dbraw/zinc/99/25/66/758992566.db2.gz OIGGJPIGBFYKPJ-UKRRQHHQSA-N 1 1 338.839 0.676 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049621367 759003787 /nfs/dbraw/zinc/00/37/87/759003787.db2.gz MFWOHPVLLLHXQA-WNRNVDISSA-N 1 1 347.459 0.711 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001022737019 759066555 /nfs/dbraw/zinc/06/65/55/759066555.db2.gz MQBKXXGFOBHEMF-XQHKEYJVSA-N 1 1 336.392 0.544 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)[C@@H](O)C1 ZINC001083584097 759099903 /nfs/dbraw/zinc/09/99/03/759099903.db2.gz GEUJDNGLSXCDHV-CABCVRRESA-N 1 1 328.372 0.686 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)[C@@H](O)C1 ZINC001083584097 759099908 /nfs/dbraw/zinc/09/99/08/759099908.db2.gz GEUJDNGLSXCDHV-CABCVRRESA-N 1 1 328.372 0.686 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049692676 759107273 /nfs/dbraw/zinc/10/72/73/759107273.db2.gz UGIZFLKCBJOKFN-HUUCEWRRSA-N 1 1 342.399 0.617 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049692676 759107280 /nfs/dbraw/zinc/10/72/80/759107280.db2.gz UGIZFLKCBJOKFN-HUUCEWRRSA-N 1 1 342.399 0.617 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)cc1 ZINC001049693407 759107493 /nfs/dbraw/zinc/10/74/93/759107493.db2.gz YNANOKWWALDDPG-HZPDHXFCSA-N 1 1 342.399 0.640 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001049760583 759174713 /nfs/dbraw/zinc/17/47/13/759174713.db2.gz AZXMWQNYVZWEIW-CHWSQXEVSA-N 1 1 348.403 0.048 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)NC)nn1 ZINC001049775876 759190797 /nfs/dbraw/zinc/19/07/97/759190797.db2.gz GLFLJPZFZAAOOY-HUUCEWRRSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)NC)nn1 ZINC001049775876 759190803 /nfs/dbraw/zinc/19/08/03/759190803.db2.gz GLFLJPZFZAAOOY-HUUCEWRRSA-N 1 1 346.435 0.279 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049780088 759195920 /nfs/dbraw/zinc/19/59/20/759195920.db2.gz YXKFCMDCGZMUDJ-OOWFEOPPSA-N 1 1 344.415 0.063 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001049783293 759200137 /nfs/dbraw/zinc/20/01/37/759200137.db2.gz SXKBRJZEZQIKBU-HWMZRRJGSA-N 1 1 335.448 0.908 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001049783293 759200141 /nfs/dbraw/zinc/20/01/41/759200141.db2.gz SXKBRJZEZQIKBU-HWMZRRJGSA-N 1 1 335.448 0.908 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049788017 759208233 /nfs/dbraw/zinc/20/82/33/759208233.db2.gz MMAXLQLXKGUHSI-KBPBESRZSA-N 1 1 332.404 0.178 20 30 ECEDMO Cc1nsc(NC[C@@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1C#N ZINC001105913918 762693539 /nfs/dbraw/zinc/69/35/39/762693539.db2.gz LUJWCEWEFHJGOB-RYUDHWBXSA-N 1 1 337.449 0.554 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cnccc1=O ZINC001049815721 759247297 /nfs/dbraw/zinc/24/72/97/759247297.db2.gz GABIHBPOKJGESU-HZPDHXFCSA-N 1 1 328.416 0.722 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001049839780 759280196 /nfs/dbraw/zinc/28/01/96/759280196.db2.gz JYGUVIFNRXTEGV-XOKHGSTOSA-N 1 1 327.432 0.998 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(F)ccc3n2)C1 ZINC001077461045 762699680 /nfs/dbraw/zinc/69/96/80/762699680.db2.gz GREZELFVTPLDRB-HUUCEWRRSA-N 1 1 332.379 0.753 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nc(C)ccc1=O ZINC001049852940 759304452 /nfs/dbraw/zinc/30/44/52/759304452.db2.gz BCXJZYDHFBSTFV-HOTGVXAUSA-N 1 1 328.416 0.640 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nc(C)ccc1=O ZINC001049853618 759304650 /nfs/dbraw/zinc/30/46/50/759304650.db2.gz GZKYAMXDBBGSRQ-JKSUJKDBSA-N 1 1 328.416 0.640 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)N(C)C)cn1 ZINC001049853873 759304683 /nfs/dbraw/zinc/30/46/83/759304683.db2.gz HXFSOKCKIRWYJB-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)N(C)C)cn1 ZINC001049853873 759304693 /nfs/dbraw/zinc/30/46/93/759304693.db2.gz HXFSOKCKIRWYJB-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049869783 759322446 /nfs/dbraw/zinc/32/24/46/759322446.db2.gz FPLQIVONHRQMDG-KGLIPLIRSA-N 1 1 346.431 0.405 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O ZINC001049871869 759325425 /nfs/dbraw/zinc/32/54/25/759325425.db2.gz SQOMWOJCTZWQCF-HUUCEWRRSA-N 1 1 333.436 0.532 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001049883919 759344265 /nfs/dbraw/zinc/34/42/65/759344265.db2.gz JYWGMSZZUDLQHZ-BFHYXJOUSA-N 1 1 332.404 0.063 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001047630956 759346973 /nfs/dbraw/zinc/34/69/73/759346973.db2.gz DIQGHJYKILQXMR-JYJNAYRXSA-N 1 1 335.448 0.160 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001054239632 767852225 /nfs/dbraw/zinc/85/22/25/767852225.db2.gz SFSSGWPHOSLKNE-SFHVURJKSA-N 1 1 346.431 0.990 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001047633925 759358535 /nfs/dbraw/zinc/35/85/35/759358535.db2.gz RVZLFDBJHHBOJM-JYJNAYRXSA-N 1 1 325.453 0.177 20 30 ECEDMO Cn1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)ccc1=O ZINC001032173111 759358754 /nfs/dbraw/zinc/35/87/54/759358754.db2.gz NYIWIPDEOWXMIN-UHFFFAOYSA-N 1 1 343.412 0.575 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001047636028 759365322 /nfs/dbraw/zinc/36/53/22/759365322.db2.gz KRYWBGFTAHBOJJ-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OC)c(Cl)c2)C1 ZINC001047635980 759365359 /nfs/dbraw/zinc/36/53/59/759365359.db2.gz FLLDTRBTEMDSPV-KBPBESRZSA-N 1 1 337.807 0.884 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC001047639475 759380546 /nfs/dbraw/zinc/38/05/46/759380546.db2.gz WKDSZMODMHRHOS-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC001047639475 759380561 /nfs/dbraw/zinc/38/05/61/759380561.db2.gz WKDSZMODMHRHOS-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC001047644180 759391565 /nfs/dbraw/zinc/39/15/65/759391565.db2.gz BDMJWQMEDSGFNQ-IRXDYDNUSA-N 1 1 329.400 0.420 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC001047644180 759391575 /nfs/dbraw/zinc/39/15/75/759391575.db2.gz BDMJWQMEDSGFNQ-IRXDYDNUSA-N 1 1 329.400 0.420 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001047649212 759408225 /nfs/dbraw/zinc/40/82/25/759408225.db2.gz UZGHSZMZCYVNEY-YESZJQIVSA-N 1 1 328.412 0.825 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001047649212 759408229 /nfs/dbraw/zinc/40/82/29/759408229.db2.gz UZGHSZMZCYVNEY-YESZJQIVSA-N 1 1 328.412 0.825 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C(N)=O)cn1 ZINC001049924048 759410123 /nfs/dbraw/zinc/41/01/23/759410123.db2.gz BICJEYQURNEDPI-JKSUJKDBSA-N 1 1 326.400 0.883 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001054242064 767857362 /nfs/dbraw/zinc/85/73/62/767857362.db2.gz DWDCVFIEBMYCJD-GDBMZVCRSA-N 1 1 341.477 0.569 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001054242951 767858285 /nfs/dbraw/zinc/85/82/85/767858285.db2.gz UJOATCNFUQCGLY-GOEBONIOSA-N 1 1 339.461 0.016 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001049998971 759524685 /nfs/dbraw/zinc/52/46/85/759524685.db2.gz PGHRXHCJLXDMJK-CWRNSKLLSA-N 1 1 328.416 0.968 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)CC(N)=O)[C@@H]3C2)c(F)c1 ZINC001050004052 759535745 /nfs/dbraw/zinc/53/57/45/759535745.db2.gz YOWISAHXMXHYPC-GOEBONIOSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)c1 ZINC001050009615 759545445 /nfs/dbraw/zinc/54/54/45/759545445.db2.gz YKRSPZLVSHQJQH-CWRNSKLLSA-N 1 1 341.415 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@H](O)C(C)C)[C@@H]3C2)C1=O ZINC001050039997 759599470 /nfs/dbraw/zinc/59/94/70/759599470.db2.gz UMMTWMRVYNXWOR-MWDXBVQZSA-N 1 1 349.475 0.713 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)CC2 ZINC001012265814 759612014 /nfs/dbraw/zinc/61/20/14/759612014.db2.gz ZXFCURUPNBUMHO-OCCSQVGLSA-N 1 1 329.404 0.584 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001050061252 759635854 /nfs/dbraw/zinc/63/58/54/759635854.db2.gz KNEXMXRWYFAFDN-GVDBMIGSSA-N 1 1 347.459 0.427 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001050081670 759668559 /nfs/dbraw/zinc/66/85/59/759668559.db2.gz MRRBHSVYSHNBIH-LSDHHAIUSA-N 1 1 333.436 0.471 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)c(C#N)cn1 ZINC001050106523 759715981 /nfs/dbraw/zinc/71/59/81/759715981.db2.gz QIWJCDBGKOTCLR-UKPHBRMFSA-N 1 1 343.431 0.676 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)c(C#N)cn1 ZINC001050106523 759715987 /nfs/dbraw/zinc/71/59/87/759715987.db2.gz QIWJCDBGKOTCLR-UKPHBRMFSA-N 1 1 343.431 0.676 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)nc1 ZINC001050183872 759894004 /nfs/dbraw/zinc/89/40/04/759894004.db2.gz BEXNDYYFLGCQHY-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)nc1 ZINC001050183872 759894013 /nfs/dbraw/zinc/89/40/13/759894013.db2.gz BEXNDYYFLGCQHY-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(CC)n(C)n3)C2)C1=O ZINC001032227528 759968478 /nfs/dbraw/zinc/96/84/78/759968478.db2.gz BXCDLGDXMMUDFX-INIZCTEOSA-N 1 1 345.447 0.431 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)C[C@@H](NC(=O)CC(N)=O)c1ccccc1O2 ZINC001111529336 759981287 /nfs/dbraw/zinc/98/12/87/759981287.db2.gz IPZFDCFECKJVBK-DNVCBOLYSA-N 1 1 341.411 0.970 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000945288027 760048428 /nfs/dbraw/zinc/04/84/28/760048428.db2.gz ZJEAQCSDXROAIZ-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001050314525 760109600 /nfs/dbraw/zinc/10/96/00/760109600.db2.gz WNBGNRKCFMXFAZ-DZGCQCFKSA-N 1 1 334.420 0.747 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001050314581 760109861 /nfs/dbraw/zinc/10/98/61/760109861.db2.gz CGIDNXCSHQDMFL-HAQNSBGRSA-N 1 1 342.407 0.488 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)[C@@H]2C)C1 ZINC001050346823 760157488 /nfs/dbraw/zinc/15/74/88/760157488.db2.gz OLIGTUBWVUJTFX-SNPRPXQTSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)[C@@H]2C)C1 ZINC001050346823 760157493 /nfs/dbraw/zinc/15/74/93/760157493.db2.gz OLIGTUBWVUJTFX-SNPRPXQTSA-N 1 1 344.419 0.152 20 30 ECEDMO Cn1cc(C[NH+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)CC2)nn1 ZINC001050494402 760362330 /nfs/dbraw/zinc/36/23/30/760362330.db2.gz TURDBCJVTNAJDA-UHFFFAOYSA-N 1 1 339.403 0.753 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)CC(C)C)C[C@H](C)O2 ZINC001111533871 767947156 /nfs/dbraw/zinc/94/71/56/767947156.db2.gz OYAPXHWXOVIJJM-INIZCTEOSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC001127046225 760455291 /nfs/dbraw/zinc/45/52/91/760455291.db2.gz OFYLCGRPCQOKKW-ZDUSSCGKSA-N 1 1 342.399 0.178 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2cccn2)C1=O ZINC001032285869 760518313 /nfs/dbraw/zinc/51/83/13/760518313.db2.gz SZCVYKWADDNINV-JYJNAYRXSA-N 1 1 343.431 0.345 20 30 ECEDMO C=CCN1CC[C@H](N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001017419097 767958024 /nfs/dbraw/zinc/95/80/24/767958024.db2.gz NHIOWSSQCLOLFN-TWMKSMIVSA-N 1 1 346.475 0.543 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNc1cnc(C#N)cn1 ZINC001054410709 767963505 /nfs/dbraw/zinc/96/35/05/767963505.db2.gz YFSGLGFHYMBBLG-HZSPNIEDSA-N 1 1 328.420 0.806 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC001127061947 760622965 /nfs/dbraw/zinc/62/29/65/760622965.db2.gz ZLTNRHHRQVLZHD-KBPBESRZSA-N 1 1 342.403 0.467 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@H]12 ZINC000991388389 760644760 /nfs/dbraw/zinc/64/47/60/760644760.db2.gz QJQNUWKRILVFEH-LPHOPBHVSA-N 1 1 340.427 0.860 20 30 ECEDMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C2 ZINC001048518704 760649835 /nfs/dbraw/zinc/64/98/35/760649835.db2.gz OTDBRPBSIMQSIV-AZHAFVHUSA-N 1 1 329.404 0.733 20 30 ECEDMO C=CCC(CC=C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001048558028 760714579 /nfs/dbraw/zinc/71/45/79/760714579.db2.gz KENFNBVSILUXCL-ULQDDVLXSA-N 1 1 349.475 0.879 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCS(=O)(=O)C1)C2 ZINC001048572043 760736751 /nfs/dbraw/zinc/73/67/51/760736751.db2.gz WJUDKENPDUHJFF-JONQDZQNSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[NH+](C[C@@H](C)O)CC3)CC1 ZINC001050765341 760806965 /nfs/dbraw/zinc/80/69/65/760806965.db2.gz NZEKLDLMXOXSEL-MRXNPFEDSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C=C\C2CC2)C1 ZINC001048628854 760817214 /nfs/dbraw/zinc/81/72/14/760817214.db2.gz UTHXPCBTMSQYMN-IXZUKJKNSA-N 1 1 345.443 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C=C\C2CC2)C1 ZINC001048628854 760817225 /nfs/dbraw/zinc/81/72/25/760817225.db2.gz UTHXPCBTMSQYMN-IXZUKJKNSA-N 1 1 345.443 0.080 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2nccs2)[C@@H](O)C1 ZINC001083669175 760859761 /nfs/dbraw/zinc/85/97/61/760859761.db2.gz WORCFSGSUOFYOT-RDBSUJKOSA-N 1 1 336.461 0.849 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)[C@@H](O)C1 ZINC001083671508 760921839 /nfs/dbraw/zinc/92/18/39/760921839.db2.gz QHLRGZNCUVLPLZ-BBWFWOEESA-N 1 1 328.412 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc[nH]n4)C[C@H]3C2)C1=O ZINC001048693652 760952285 /nfs/dbraw/zinc/95/22/85/760952285.db2.gz WOSVTKKZTUNCRK-VNHYZAJKSA-N 1 1 329.404 0.200 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)c4ccn[nH]4)C[C@H]3C2)C1=O ZINC001048693652 760952289 /nfs/dbraw/zinc/95/22/89/760952289.db2.gz WOSVTKKZTUNCRK-VNHYZAJKSA-N 1 1 329.404 0.200 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccn[nH]4)C[C@H]3C2)C1=O ZINC001048693652 760952292 /nfs/dbraw/zinc/95/22/92/760952292.db2.gz WOSVTKKZTUNCRK-VNHYZAJKSA-N 1 1 329.404 0.200 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1nccnc1C#N ZINC001048711396 760996365 /nfs/dbraw/zinc/99/63/65/760996365.db2.gz XAWBTXRZTMXSEW-VNHYZAJKSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1O ZINC001048712496 760999321 /nfs/dbraw/zinc/99/93/21/760999321.db2.gz WIUMWCNGFKGWPT-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]3C2)c1 ZINC001048721608 761034048 /nfs/dbraw/zinc/03/40/48/761034048.db2.gz KLDDGJXWTGWPNS-IXDOHACOSA-N 1 1 338.411 0.727 20 30 ECEDMO COc1coc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)cc1=O ZINC001048724921 761047269 /nfs/dbraw/zinc/04/72/69/761047269.db2.gz KTRQVJWZODOUPD-RWMBFGLXSA-N 1 1 331.372 0.698 20 30 ECEDMO COc1coc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)cc1=O ZINC001048724921 761047276 /nfs/dbraw/zinc/04/72/76/761047276.db2.gz KTRQVJWZODOUPD-RWMBFGLXSA-N 1 1 331.372 0.698 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)[nH]1 ZINC001050879177 761058634 /nfs/dbraw/zinc/05/86/34/761058634.db2.gz JCPAWQJVRIVMSW-DZGCQCFKSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H]2CCCOC2)[nH]1 ZINC001050879177 761058637 /nfs/dbraw/zinc/05/86/37/761058637.db2.gz JCPAWQJVRIVMSW-DZGCQCFKSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@H]3C2)c1 ZINC001048750224 761109649 /nfs/dbraw/zinc/10/96/49/761109649.db2.gz USGDYXUEHKAUEV-OKILXGFUSA-N 1 1 327.388 0.122 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@@H]1O ZINC001048757592 761122898 /nfs/dbraw/zinc/12/28/98/761122898.db2.gz JIIWZBDSMAGUSV-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048757744 761123037 /nfs/dbraw/zinc/12/30/37/761123037.db2.gz MROWQHNZENPJMH-PMPSAXMXSA-N 1 1 335.448 0.162 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001077447674 761207609 /nfs/dbraw/zinc/20/76/09/761207609.db2.gz IFFFYNLJYJHPNU-BRWVUGGUSA-N 1 1 337.464 0.225 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1C/C=C\Cl ZINC001050962223 761230462 /nfs/dbraw/zinc/23/04/62/761230462.db2.gz GLUMCXKPUFNCMD-SNPDBEFISA-N 1 1 325.840 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1C/C=C\Cl ZINC001050962223 761230464 /nfs/dbraw/zinc/23/04/64/761230464.db2.gz GLUMCXKPUFNCMD-SNPDBEFISA-N 1 1 325.840 0.654 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CCOCC1 ZINC001050962371 761231573 /nfs/dbraw/zinc/23/15/73/761231573.db2.gz KCAHPDSLLALJOR-MSOLQXFVSA-N 1 1 349.475 0.328 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1CCOCC1 ZINC001050962371 761231576 /nfs/dbraw/zinc/23/15/76/761231576.db2.gz KCAHPDSLLALJOR-MSOLQXFVSA-N 1 1 349.475 0.328 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001013262116 761241867 /nfs/dbraw/zinc/24/18/67/761241867.db2.gz PXRKXPMVHQRCMG-BXUZGUMPSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1[C@H]2CN(C(=O)/C=C/C3CC3)C[C@@H]12 ZINC001013315490 761300741 /nfs/dbraw/zinc/30/07/41/761300741.db2.gz CYMGLRUBXNDKDC-BLNROTMESA-N 1 1 327.428 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1[C@H]2CN(C(=O)/C=C/C3CC3)C[C@@H]12 ZINC001013315490 761300751 /nfs/dbraw/zinc/30/07/51/761300751.db2.gz CYMGLRUBXNDKDC-BLNROTMESA-N 1 1 327.428 0.623 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)[C@H](CC)NC(C)=O)CC2)C1 ZINC001105726042 761349181 /nfs/dbraw/zinc/34/91/81/761349181.db2.gz BNGFXHAKMFTMPS-KRWDZBQOSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC(OC2C[NH+](C[C@@H](C)O)C2)CC1 ZINC001105736250 761420353 /nfs/dbraw/zinc/42/03/53/761420353.db2.gz SIQGDFYGLHNRFG-ZIAGYGMSSA-N 1 1 326.437 0.650 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054552525 768039514 /nfs/dbraw/zinc/03/95/14/768039514.db2.gz VSFJLYDWGREIRD-YGRLFVJLSA-N 1 1 340.391 0.458 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cn3nnc(-c4ccco4)n3)CCC[C@H]12 ZINC000991542790 761479164 /nfs/dbraw/zinc/47/91/64/761479164.db2.gz RZPCXPPZVNZDDW-WMLDXEAASA-N 1 1 340.387 0.680 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(=O)n(CCOC)c3)CCC[C@H]12 ZINC000991542957 761485275 /nfs/dbraw/zinc/48/52/75/761485275.db2.gz SOMDMBBOUFSWLN-LPHOPBHVSA-N 1 1 343.427 0.855 20 30 ECEDMO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001054566666 768043484 /nfs/dbraw/zinc/04/34/84/768043484.db2.gz BMEXDZDLJXLRTP-SMDDNHRTSA-N 1 1 345.382 0.698 20 30 ECEDMO C[C@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001051188568 761647342 /nfs/dbraw/zinc/64/73/42/761647342.db2.gz LDJIHRAWFGBGHN-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(S(N)(=O)=O)o3)CCC[C@H]12 ZINC000991567506 761655683 /nfs/dbraw/zinc/65/56/83/761655683.db2.gz MIZJPPMTBYEDBU-SWLSCSKDSA-N 1 1 339.417 0.840 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCN(C(N)=O)CC1 ZINC001051238448 761738112 /nfs/dbraw/zinc/73/81/12/761738112.db2.gz NRGZXYQPVOYMAC-HNNXBMFYSA-N 1 1 338.452 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCN(C(N)=O)CC1 ZINC001051238448 761738114 /nfs/dbraw/zinc/73/81/14/761738114.db2.gz NRGZXYQPVOYMAC-HNNXBMFYSA-N 1 1 338.452 0.560 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2Cc2cccc(C#N)c2)C1 ZINC001051239272 761739987 /nfs/dbraw/zinc/73/99/87/761739987.db2.gz AJVBRHLITQWSDH-ZWKOTPCHSA-N 1 1 342.443 0.827 20 30 ECEDMO CC#CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCNC3=O)cccc2C1 ZINC001051297937 761848848 /nfs/dbraw/zinc/84/88/48/761848848.db2.gz URLKHCCHDOKRDP-QGZVFWFLSA-N 1 1 325.412 0.820 20 30 ECEDMO C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001051314227 761874096 /nfs/dbraw/zinc/87/40/96/761874096.db2.gz KPYZTWKQDGJQNI-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001014471911 762728570 /nfs/dbraw/zinc/72/85/70/762728570.db2.gz STQUYDNCGMDCPB-ZNMIVQPWSA-N 1 1 336.436 0.183 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001014616431 762909042 /nfs/dbraw/zinc/90/90/42/762909042.db2.gz LTAICCSJPYJKJS-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)C#CC2CC2)CC1 ZINC001017537082 768092911 /nfs/dbraw/zinc/09/29/11/768092911.db2.gz LMIYKIQFGAZGSA-SFHVURJKSA-N 1 1 339.439 0.772 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)C#CC2CC2)CC1 ZINC001017537082 768092919 /nfs/dbraw/zinc/09/29/19/768092919.db2.gz LMIYKIQFGAZGSA-SFHVURJKSA-N 1 1 339.439 0.772 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cnn(C)c3C)C2)C1=O ZINC001014677712 762985522 /nfs/dbraw/zinc/98/55/22/762985522.db2.gz JFLXNNLBYBTLDO-HZPDHXFCSA-N 1 1 345.447 0.248 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cnn(C)c3C)C2)C1=O ZINC001014677712 762985524 /nfs/dbraw/zinc/98/55/24/762985524.db2.gz JFLXNNLBYBTLDO-HZPDHXFCSA-N 1 1 345.447 0.248 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051804172 763003017 /nfs/dbraw/zinc/00/30/17/763003017.db2.gz WZRJQXCVFNQVOO-MLGOLLRUSA-N 1 1 337.424 0.028 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001105966943 763091988 /nfs/dbraw/zinc/09/19/88/763091988.db2.gz RVEHRGBQKQPGBU-HUUCEWRRSA-N 1 1 349.435 0.453 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)cn1 ZINC001089841505 763116493 /nfs/dbraw/zinc/11/64/93/763116493.db2.gz GAMFXEYHGOBGGN-NHIYQJMISA-N 1 1 326.400 0.196 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)nc1 ZINC001046781632 763116642 /nfs/dbraw/zinc/11/66/42/763116642.db2.gz KZCPOSIXUWLEPP-KBXCAEBGSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)nc1 ZINC001046781632 763116644 /nfs/dbraw/zinc/11/66/44/763116644.db2.gz KZCPOSIXUWLEPP-KBXCAEBGSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001046782470 763118928 /nfs/dbraw/zinc/11/89/28/763118928.db2.gz ZKAIGDVMDOJPHY-LJQANCHMSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001046782470 763118935 /nfs/dbraw/zinc/11/89/35/763118935.db2.gz ZKAIGDVMDOJPHY-LJQANCHMSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(CC)n2C)C1 ZINC001014769243 763124780 /nfs/dbraw/zinc/12/47/80/763124780.db2.gz JIZXIYXOFGRSKJ-GJZGRUSLSA-N 1 1 344.463 0.166 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(CC)n2C)C1 ZINC001014769243 763124782 /nfs/dbraw/zinc/12/47/82/763124782.db2.gz JIZXIYXOFGRSKJ-GJZGRUSLSA-N 1 1 344.463 0.166 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(C(C)C)no2)C1 ZINC001014771423 763128570 /nfs/dbraw/zinc/12/85/70/763128570.db2.gz YAUVWIBPLZWPGG-CABCVRRESA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(C(C)C)no2)C1 ZINC001014771423 763128574 /nfs/dbraw/zinc/12/85/74/763128574.db2.gz YAUVWIBPLZWPGG-CABCVRRESA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(C3CC3)no2)C1 ZINC001014777577 763137123 /nfs/dbraw/zinc/13/71/23/763137123.db2.gz ZIIFNJBZUOXKJQ-CABCVRRESA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(C3CC3)no2)C1 ZINC001014777577 763137128 /nfs/dbraw/zinc/13/71/28/763137128.db2.gz ZIIFNJBZUOXKJQ-CABCVRRESA-N 1 1 343.431 0.735 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001089845604 763149021 /nfs/dbraw/zinc/14/90/21/763149021.db2.gz GBNNKTJEBATJIB-AJNGGQMLSA-N 1 1 328.416 0.931 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(=O)n1C ZINC001089846684 763149613 /nfs/dbraw/zinc/14/96/13/763149613.db2.gz OYVCNBBYPRPSEA-XQLPTFJDSA-N 1 1 328.416 0.931 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001046815972 763167480 /nfs/dbraw/zinc/16/74/80/763167480.db2.gz FXLLZDVIWDLQTP-KBXCAEBGSA-N 1 1 344.415 0.768 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COc1cnn(C)c1 ZINC001089852937 763184220 /nfs/dbraw/zinc/18/42/20/763184220.db2.gz MOTIOMQEKLPEHL-RANZSIQMSA-N 1 1 342.443 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)COCC(F)F ZINC001077467686 763190025 /nfs/dbraw/zinc/19/00/25/763190025.db2.gz YWDPUYPGFFQWGI-STQMWFEESA-N 1 1 345.390 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)COCC(F)F ZINC001077467686 763190028 /nfs/dbraw/zinc/19/00/28/763190028.db2.gz YWDPUYPGFFQWGI-STQMWFEESA-N 1 1 345.390 0.377 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCNC1=O ZINC001014812764 763217028 /nfs/dbraw/zinc/21/70/28/763217028.db2.gz VFDZPRMPTIKILZ-IRXDYDNUSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCNC1=O ZINC001014812764 763217037 /nfs/dbraw/zinc/21/70/37/763217037.db2.gz VFDZPRMPTIKILZ-IRXDYDNUSA-N 1 1 343.402 0.894 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001105982502 763230743 /nfs/dbraw/zinc/23/07/43/763230743.db2.gz POICNOORVWZSME-LSDHHAIUSA-N 1 1 346.435 0.500 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001105983063 763235946 /nfs/dbraw/zinc/23/59/46/763235946.db2.gz VJTMZWNCVOXXPE-DOTOQJQBSA-N 1 1 345.447 0.527 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001046853732 763237724 /nfs/dbraw/zinc/23/77/24/763237724.db2.gz DJXNDHRJKCDWAC-MRXNPFEDSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1=O ZINC001030432780 763242621 /nfs/dbraw/zinc/24/26/21/763242621.db2.gz OIBKYAYSCARKJW-DOTOQJQBSA-N 1 1 348.491 0.552 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3coc(OC)n3)C2)C1=O ZINC001031879821 763270737 /nfs/dbraw/zinc/27/07/37/763270737.db2.gz ZPLTYWILVLGLHK-ZDUSSCGKSA-N 1 1 334.376 0.132 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cncs3)C2)C1=O ZINC001014838201 763280931 /nfs/dbraw/zinc/28/09/31/763280931.db2.gz JYNMSOXFJXZSCY-JSGCOSHPSA-N 1 1 334.445 0.663 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cncs3)C2)C1=O ZINC001014838201 763280940 /nfs/dbraw/zinc/28/09/40/763280940.db2.gz JYNMSOXFJXZSCY-JSGCOSHPSA-N 1 1 334.445 0.663 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 ZINC001089858943 763288043 /nfs/dbraw/zinc/28/80/43/763288043.db2.gz NEDLWGCPCOURLT-BJDJZHNGSA-N 1 1 342.237 0.549 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2O)C1 ZINC000991760424 763300099 /nfs/dbraw/zinc/30/00/99/763300099.db2.gz BQKBYGODBOJYBE-CVEARBPZSA-N 1 1 349.475 0.905 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccn4nnnc4c3)C2)cc1 ZINC001031895973 763392320 /nfs/dbraw/zinc/39/23/20/763392320.db2.gz WZMXOBXRMOFIHQ-UHFFFAOYSA-N 1 1 347.382 0.858 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001046929015 763403054 /nfs/dbraw/zinc/40/30/54/763403054.db2.gz NRGXTTSTHIWILJ-OLZOCXBDSA-N 1 1 327.375 0.609 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001046931061 763409069 /nfs/dbraw/zinc/40/90/69/763409069.db2.gz PTDDIRZCWKUAKO-ZIAGYGMSSA-N 1 1 331.407 0.967 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001040925274 763421136 /nfs/dbraw/zinc/42/11/36/763421136.db2.gz UULDQSYXPAJEEN-YJBOKZPZSA-N 1 1 335.448 0.210 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001046943318 763431981 /nfs/dbraw/zinc/43/19/81/763431981.db2.gz FDLJGHWQFZANKJ-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001046943318 763431987 /nfs/dbraw/zinc/43/19/87/763431987.db2.gz FDLJGHWQFZANKJ-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2c(C)nnn2CC)C1 ZINC001030462406 763439143 /nfs/dbraw/zinc/43/91/43/763439143.db2.gz VVUNKGYJRQNRFJ-HNNXBMFYSA-N 1 1 330.436 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2c(C)nnn2CC)C1 ZINC001030462406 763439150 /nfs/dbraw/zinc/43/91/50/763439150.db2.gz VVUNKGYJRQNRFJ-HNNXBMFYSA-N 1 1 330.436 0.004 20 30 ECEDMO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031897681 763439700 /nfs/dbraw/zinc/43/97/00/763439700.db2.gz VNMCSXKGPJTXSC-IRXDYDNUSA-N 1 1 325.412 0.598 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001046950112 763443647 /nfs/dbraw/zinc/44/36/47/763443647.db2.gz FBUAMMPSMFROEV-QWHCGFSZSA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(C(C)(C)C)no2)C1 ZINC001030464105 763455819 /nfs/dbraw/zinc/45/58/19/763455819.db2.gz HFJPSJILLFHVIG-AWEZNQCLSA-N 1 1 345.447 0.765 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(C(C)(C)C)no2)C1 ZINC001030464105 763455825 /nfs/dbraw/zinc/45/58/25/763455825.db2.gz HFJPSJILLFHVIG-AWEZNQCLSA-N 1 1 345.447 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001030464193 763456093 /nfs/dbraw/zinc/45/60/93/763456093.db2.gz KGLDXFIBBWNXFL-HOTGVXAUSA-N 1 1 346.475 0.284 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001030464193 763456096 /nfs/dbraw/zinc/45/60/96/763456096.db2.gz KGLDXFIBBWNXFL-HOTGVXAUSA-N 1 1 346.475 0.284 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2csnc2OC)C1 ZINC001030464445 763458781 /nfs/dbraw/zinc/45/87/81/763458781.db2.gz TWPWOSTVEAWAQJ-AWEZNQCLSA-N 1 1 334.445 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2csnc2OC)C1 ZINC001030464445 763458787 /nfs/dbraw/zinc/45/87/87/763458787.db2.gz TWPWOSTVEAWAQJ-AWEZNQCLSA-N 1 1 334.445 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001046956442 763459694 /nfs/dbraw/zinc/45/96/94/763459694.db2.gz VKWRMHAAGQDECZ-LSDHHAIUSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001046956442 763459699 /nfs/dbraw/zinc/45/96/99/763459699.db2.gz VKWRMHAAGQDECZ-LSDHHAIUSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001046961359 763468307 /nfs/dbraw/zinc/46/83/07/763468307.db2.gz WGIWIHYCEWWASD-CHWSQXEVSA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001046961359 763468312 /nfs/dbraw/zinc/46/83/12/763468312.db2.gz WGIWIHYCEWWASD-CHWSQXEVSA-N 1 1 327.375 0.609 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046963863 763474680 /nfs/dbraw/zinc/47/46/80/763474680.db2.gz VRVQMOUIFOAYNO-VXGBXAGGSA-N 1 1 330.379 0.660 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001046967642 763483435 /nfs/dbraw/zinc/48/34/35/763483435.db2.gz WLEIFLHRZSBTBQ-LLVKDONJSA-N 1 1 348.357 0.684 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001046967642 763483438 /nfs/dbraw/zinc/48/34/38/763483438.db2.gz WLEIFLHRZSBTBQ-LLVKDONJSA-N 1 1 348.357 0.684 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)C1 ZINC000991788348 763504283 /nfs/dbraw/zinc/50/42/83/763504283.db2.gz QJUIETGSJVOXAS-HOTGVXAUSA-N 1 1 347.459 0.210 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001040927462 763507744 /nfs/dbraw/zinc/50/77/44/763507744.db2.gz RKHCTSMFDVJJCH-QAPCUYQASA-N 1 1 335.448 0.067 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001046983568 763509077 /nfs/dbraw/zinc/50/90/77/763509077.db2.gz GVPSKCDKVICBSB-LLVKDONJSA-N 1 1 326.347 0.987 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@H]2CCN(C(=O)CS(C)(=O)=O)C2)CC1 ZINC001051989195 763525228 /nfs/dbraw/zinc/52/52/28/763525228.db2.gz DLAGOFLEOJENBB-HNNXBMFYSA-N 1 1 343.493 0.216 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001046995882 763535616 /nfs/dbraw/zinc/53/56/16/763535616.db2.gz MDAYJCZYQPPJME-ZIAGYGMSSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001046998276 763540985 /nfs/dbraw/zinc/54/09/85/763540985.db2.gz JIOCMFFPQUTTAV-RYUDHWBXSA-N 1 1 328.363 0.236 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001046998276 763540989 /nfs/dbraw/zinc/54/09/89/763540989.db2.gz JIOCMFFPQUTTAV-RYUDHWBXSA-N 1 1 328.363 0.236 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000940912320 763552574 /nfs/dbraw/zinc/55/25/74/763552574.db2.gz OONNVAQVZMIXFL-UONOGXRCSA-N 1 1 331.420 0.768 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 ZINC001047023124 763563556 /nfs/dbraw/zinc/56/35/56/763563556.db2.gz JJYFYJCANGALAO-PWNZVWSESA-N 1 1 328.420 0.853 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@](C)(O)C3CC3)C2)CC1 ZINC001052010719 763578744 /nfs/dbraw/zinc/57/87/44/763578744.db2.gz FBMFUZSCMGDKRS-HKUYNNGSSA-N 1 1 333.476 0.779 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCn2cncn2)C3)[nH]1 ZINC001047055282 763601174 /nfs/dbraw/zinc/60/11/74/763601174.db2.gz RFUCZYVQIAFRNB-CFVMTHIKSA-N 1 1 339.403 0.761 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(CC)n3)C2)CC1 ZINC001052023230 763609418 /nfs/dbraw/zinc/60/94/18/763609418.db2.gz ZMRWDFYPFNTOKT-OAHLLOKOSA-N 1 1 330.436 0.153 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052031459 763632185 /nfs/dbraw/zinc/63/21/85/763632185.db2.gz OMLHMAOECAQLEM-KZNAEPCWSA-N 1 1 332.492 0.568 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032153 763633862 /nfs/dbraw/zinc/63/38/62/763633862.db2.gz CQWNXEHXBAJFFP-QGZVFWFLSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032153 763633869 /nfs/dbraw/zinc/63/38/69/763633869.db2.gz CQWNXEHXBAJFFP-QGZVFWFLSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052036324 763647355 /nfs/dbraw/zinc/64/73/55/763647355.db2.gz LKCIRESOOIZIOG-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052036324 763647365 /nfs/dbraw/zinc/64/73/65/763647365.db2.gz LKCIRESOOIZIOG-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052036228 763648027 /nfs/dbraw/zinc/64/80/27/763648027.db2.gz ICFCFCCBHHVJAI-ROUUACIJSA-N 1 1 347.507 0.991 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc(C4CC4)no3)C2)CC1 ZINC001052036208 763648249 /nfs/dbraw/zinc/64/82/49/763648249.db2.gz HRSOUBLPXJJGRK-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4[nH]ccc4c3)C2)CC1 ZINC001052040516 763662988 /nfs/dbraw/zinc/66/29/88/763662988.db2.gz BWJUPXINYDGDSI-KRWDZBQOSA-N 1 1 337.427 0.980 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)CC1 ZINC001052045149 763682287 /nfs/dbraw/zinc/68/22/87/763682287.db2.gz QLWIRMZHXXPRKD-SJORKVTESA-N 1 1 341.459 0.297 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC001052048071 763693506 /nfs/dbraw/zinc/69/35/06/763693506.db2.gz JWWYRONLWDMSCI-QGZVFWFLSA-N 1 1 346.475 0.241 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)CC1 ZINC001052048123 763694307 /nfs/dbraw/zinc/69/43/07/763694307.db2.gz LPHKGEKOEFHKKQ-QGZVFWFLSA-N 1 1 342.443 0.241 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001052048428 763696958 /nfs/dbraw/zinc/69/69/58/763696958.db2.gz UBAXYDWMECLUOX-OALUTQOASA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc(C)nn3C)C2)CC1 ZINC001052049178 763700430 /nfs/dbraw/zinc/70/04/30/763700430.db2.gz IQEGRMVWRNHARU-MRXNPFEDSA-N 1 1 329.448 0.123 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001052049346 763701287 /nfs/dbraw/zinc/70/12/87/763701287.db2.gz FNQISWXPGNBBOQ-OCCSQVGLSA-N 1 1 349.460 0.659 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc4nccn43)C2)CC1 ZINC001052049684 763702150 /nfs/dbraw/zinc/70/21/50/763702150.db2.gz NWIZCVCVOUKIIY-MRXNPFEDSA-N 1 1 337.427 0.800 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001052050636 763706728 /nfs/dbraw/zinc/70/67/28/763706728.db2.gz LMCLKOCPPOFWSP-TZMCWYRMSA-N 1 1 349.460 0.659 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(Cl)n3C)C2)CC1 ZINC001052052656 763717430 /nfs/dbraw/zinc/71/74/30/763717430.db2.gz SUCNYXJEUYUKDF-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)CC1 ZINC001052053463 763718402 /nfs/dbraw/zinc/71/84/02/763718402.db2.gz LTJXZNKJUNIPBG-XLAORIBOSA-N 1 1 331.460 0.653 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)CC1 ZINC001052052874 763719090 /nfs/dbraw/zinc/71/90/90/763719090.db2.gz ZDKPYMBADZXQLH-CEXWTWQISA-N 1 1 345.487 0.901 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001047145124 763720710 /nfs/dbraw/zinc/72/07/10/763720710.db2.gz GABWCSJWYOZUOX-UAGQMJEPSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)c3cncnc3)C2)CC1 ZINC001052070024 763766719 /nfs/dbraw/zinc/76/67/19/763766719.db2.gz ATEOTKWRPHDNJR-RDJZCZTQSA-N 1 1 329.448 0.985 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)c3cncnc3)C2)CC1 ZINC001052070024 763766721 /nfs/dbraw/zinc/76/67/21/763766721.db2.gz ATEOTKWRPHDNJR-RDJZCZTQSA-N 1 1 329.448 0.985 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccc(=O)[nH]c3)C2)CC1 ZINC001052070065 763767337 /nfs/dbraw/zinc/76/73/37/763767337.db2.gz CKBCQLIIXBPXKJ-QGZVFWFLSA-N 1 1 342.443 0.572 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)CC1 ZINC001052090996 763829529 /nfs/dbraw/zinc/82/95/29/763829529.db2.gz BDHIHLXMVXTWKR-MRXNPFEDSA-N 1 1 342.443 0.951 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cn[nH]c3)C2)CC1 ZINC001052093189 763837139 /nfs/dbraw/zinc/83/71/39/763837139.db2.gz KZTYIVUKCUDGHT-QGZVFWFLSA-N 1 1 329.448 0.584 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCCNC3=O)C2)cc1 ZINC001015081675 763838102 /nfs/dbraw/zinc/83/81/02/763838102.db2.gz PTKWYEJDNCELOW-INIZCTEOSA-N 1 1 341.415 0.664 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)COC3CCOCC3)C2)CC1 ZINC001052094509 763839104 /nfs/dbraw/zinc/83/91/04/763839104.db2.gz VCYGBTFZNUFVQJ-INIZCTEOSA-N 1 1 335.448 0.034 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052096633 763847495 /nfs/dbraw/zinc/84/74/95/763847495.db2.gz NPNKUWUEDXDPIG-IKGGRYGDSA-N 1 1 332.448 0.710 20 30 ECEDMO CCc1c[nH]c(=O)c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052102135 763865368 /nfs/dbraw/zinc/86/53/68/763865368.db2.gz XWXSIMSDEPXWOX-HNNXBMFYSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052104928 763874742 /nfs/dbraw/zinc/87/47/42/763874742.db2.gz BNVOPSKSXOZRRD-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052104928 763874749 /nfs/dbraw/zinc/87/47/49/763874749.db2.gz BNVOPSKSXOZRRD-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(OC)nn3)C2)CC1 ZINC001052105969 763878230 /nfs/dbraw/zinc/87/82/30/763878230.db2.gz XKPPFLDAMUKWHK-AWEZNQCLSA-N 1 1 331.420 0.503 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)CC1 ZINC001052106277 763880683 /nfs/dbraw/zinc/88/06/83/763880683.db2.gz GXRMNWIAERATKR-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)nc3Cl)C2)CC1 ZINC001052106906 763882908 /nfs/dbraw/zinc/88/29/08/763882908.db2.gz WLBVVWVKADYZNS-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)CC3CCCC3)C2)C1=O ZINC001047289762 763894496 /nfs/dbraw/zinc/89/44/96/763894496.db2.gz KTDTVWCQONHQRW-ULQDDVLXSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)CC3CCCC3)C2)C1=O ZINC001047289762 763894504 /nfs/dbraw/zinc/89/45/04/763894504.db2.gz KTDTVWCQONHQRW-ULQDDVLXSA-N 1 1 349.475 0.857 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)CC1 ZINC001052109680 763896307 /nfs/dbraw/zinc/89/63/07/763896307.db2.gz GIEJRBHSGSLNFM-ROUUACIJSA-N 1 1 346.475 0.239 20 30 ECEDMO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC001052109346 763896613 /nfs/dbraw/zinc/89/66/13/763896613.db2.gz BYNGCWXXFIUTFU-INIZCTEOSA-N 1 1 344.459 0.794 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC001052113196 763910923 /nfs/dbraw/zinc/91/09/23/763910923.db2.gz OZVNYKJCGYOHBM-INIZCTEOSA-N 1 1 328.416 0.807 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052113368 763912202 /nfs/dbraw/zinc/91/22/02/763912202.db2.gz SYKGHQRLABKIOC-LJQANCHMSA-N 1 1 336.439 0.952 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113568 763913843 /nfs/dbraw/zinc/91/38/43/763913843.db2.gz ZLVAFMLONAUTJB-HZPDHXFCSA-N 1 1 347.463 0.177 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(C)nc3)C2)CC1 ZINC001052117827 763930539 /nfs/dbraw/zinc/93/05/39/763930539.db2.gz DWRAXDZNVKYXLS-GOSISDBHSA-N 1 1 326.444 0.784 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)CC1 ZINC001052120124 763938177 /nfs/dbraw/zinc/93/81/77/763938177.db2.gz ZABOUUZIIJJNDQ-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)N1CCCC1=O ZINC001052119801 763938189 /nfs/dbraw/zinc/93/81/89/763938189.db2.gz WBWQCNNYQSGGAZ-HZPDHXFCSA-N 1 1 347.463 0.129 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCn3cc(C)cn3)C2)CC1 ZINC001052121463 763942128 /nfs/dbraw/zinc/94/21/28/763942128.db2.gz BUKONGNJOSYDRR-GOSISDBHSA-N 1 1 343.475 0.823 20 30 ECEDMO NC(=O)[C@@H]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)C1 ZINC001031980991 763954409 /nfs/dbraw/zinc/95/44/09/763954409.db2.gz MJCYGUOVUZPXRE-MSOLQXFVSA-N 1 1 339.439 0.988 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnccn3)CC2)C1=O ZINC001052167004 763996631 /nfs/dbraw/zinc/99/66/31/763996631.db2.gz OMEXZIIUFLSMEA-GOEBONIOSA-N 1 1 343.431 0.848 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047324173 764000839 /nfs/dbraw/zinc/00/08/39/764000839.db2.gz KQLCNIVHBXMCRC-SQNIBIBYSA-N 1 1 342.443 0.656 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)C3=COCCO3)CC2)C1=O ZINC001052173757 764006376 /nfs/dbraw/zinc/00/63/76/764006376.db2.gz ZQSPTRGANJAYFT-HUUCEWRRSA-N 1 1 349.431 0.632 20 30 ECEDMO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047331179 764024731 /nfs/dbraw/zinc/02/47/31/764024731.db2.gz CIHRCGYWUHYAEW-IRXDYDNUSA-N 1 1 339.399 0.528 20 30 ECEDMO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047331179 764024737 /nfs/dbraw/zinc/02/47/37/764024737.db2.gz CIHRCGYWUHYAEW-IRXDYDNUSA-N 1 1 339.399 0.528 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)CC3CCC3)C2)C1=O ZINC001047333596 764033307 /nfs/dbraw/zinc/03/33/07/764033307.db2.gz LELHDIDZFYYWEY-PMPSAXMXSA-N 1 1 335.448 0.467 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)CC3CCC3)C2)C1=O ZINC001047333596 764033312 /nfs/dbraw/zinc/03/33/12/764033312.db2.gz LELHDIDZFYYWEY-PMPSAXMXSA-N 1 1 335.448 0.467 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)nn1 ZINC001098784693 768189997 /nfs/dbraw/zinc/18/99/97/768189997.db2.gz JJFSOUKPQUQCSI-DZGCQCFKSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001047379484 764165585 /nfs/dbraw/zinc/16/55/85/764165585.db2.gz CCWATHQUFFFKOO-IRXDYDNUSA-N 1 1 330.432 0.358 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001047385508 764182086 /nfs/dbraw/zinc/18/20/86/764182086.db2.gz PLHCBSOAWPLXJU-YRXWBPOGSA-N 1 1 342.439 0.943 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001047385508 764182097 /nfs/dbraw/zinc/18/20/97/764182097.db2.gz PLHCBSOAWPLXJU-YRXWBPOGSA-N 1 1 342.439 0.943 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001047398293 764215513 /nfs/dbraw/zinc/21/55/13/764215513.db2.gz JKOFDSDUWDNXNV-JYJNAYRXSA-N 1 1 337.464 0.571 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001047398446 764215771 /nfs/dbraw/zinc/21/57/71/764215771.db2.gz OYYKKGPTVAKIIM-JYJNAYRXSA-N 1 1 335.448 0.018 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001047400580 764222394 /nfs/dbraw/zinc/22/23/94/764222394.db2.gz ZUDCVKIEBGTHGC-JYJNAYRXSA-N 1 1 337.464 0.713 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2OCCO3)C1 ZINC001047401164 764223595 /nfs/dbraw/zinc/22/35/95/764223595.db2.gz GRSAKLBBXBWEJJ-GJZGRUSLSA-N 1 1 330.384 0.598 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2OCCO3)C1 ZINC001047401164 764223605 /nfs/dbraw/zinc/22/36/05/764223605.db2.gz GRSAKLBBXBWEJJ-GJZGRUSLSA-N 1 1 330.384 0.598 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052308814 764225237 /nfs/dbraw/zinc/22/52/37/764225237.db2.gz AXWNLDVEEMBKHW-CHWSQXEVSA-N 1 1 331.420 0.947 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001047402815 764230613 /nfs/dbraw/zinc/23/06/13/764230613.db2.gz TYOWOSUNHJJRPY-ILXRZTDVSA-N 1 1 335.448 0.160 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001032040447 764245072 /nfs/dbraw/zinc/24/50/72/764245072.db2.gz DJMKGCJDHJDQTP-JYJNAYRXSA-N 1 1 335.448 0.684 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001032040448 764245263 /nfs/dbraw/zinc/24/52/63/764245263.db2.gz DJMKGCJDHJDQTP-XHSDSOJGSA-N 1 1 335.448 0.684 20 30 ECEDMO CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001047407046 764247577 /nfs/dbraw/zinc/24/75/77/764247577.db2.gz BTMYLJZKKKETKY-SQNIBIBYSA-N 1 1 349.475 0.157 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001047409289 764255457 /nfs/dbraw/zinc/25/54/57/764255457.db2.gz QZBZPZLDMLKZPW-RYUDHWBXSA-N 1 1 346.387 0.930 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001047412547 764263645 /nfs/dbraw/zinc/26/36/45/764263645.db2.gz XOHKCGDHXLSNCP-KBPBESRZSA-N 1 1 343.383 0.158 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001089868816 764265002 /nfs/dbraw/zinc/26/50/02/764265002.db2.gz UHRDCPIZFJUGIZ-QCQGSNGOSA-N 1 1 326.400 0.529 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O ZINC001047415305 764273973 /nfs/dbraw/zinc/27/39/73/764273973.db2.gz RYEOKUDPXLKROP-BZSNNMDCSA-N 1 1 333.476 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2ccns2)C[C@@H]1O ZINC001047415407 764274913 /nfs/dbraw/zinc/27/49/13/764274913.db2.gz WKOGNVRHMKPAFO-JYJNAYRXSA-N 1 1 348.472 0.244 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2ccns2)C[C@@H]1O ZINC001047415407 764274920 /nfs/dbraw/zinc/27/49/20/764274920.db2.gz WKOGNVRHMKPAFO-JYJNAYRXSA-N 1 1 348.472 0.244 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(OC)ccc2OC)C1 ZINC001047415723 764276975 /nfs/dbraw/zinc/27/69/75/764276975.db2.gz KABSEQNZVOPXJP-HOTGVXAUSA-N 1 1 332.400 0.383 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(OC)ccc2OC)C1 ZINC001047415723 764276979 /nfs/dbraw/zinc/27/69/79/764276979.db2.gz KABSEQNZVOPXJP-HOTGVXAUSA-N 1 1 332.400 0.383 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC(F)(F)F)C1 ZINC001047418744 764284843 /nfs/dbraw/zinc/28/48/43/764284843.db2.gz DQJYNVYZYCHUQE-RYUDHWBXSA-N 1 1 332.326 0.749 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC(F)(F)F)C1 ZINC001047418744 764284847 /nfs/dbraw/zinc/28/48/47/764284847.db2.gz DQJYNVYZYCHUQE-RYUDHWBXSA-N 1 1 332.326 0.749 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC(F)(F)F)C1 ZINC001047419150 764286984 /nfs/dbraw/zinc/28/69/84/764286984.db2.gz PXZFKBSIFNPHHR-STQMWFEESA-N 1 1 344.337 0.586 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001047422557 764298999 /nfs/dbraw/zinc/29/89/99/764298999.db2.gz YFYQRQNWFJERLT-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001047427368 764312409 /nfs/dbraw/zinc/31/24/09/764312409.db2.gz PBTCHDSVNMIDJY-IRXDYDNUSA-N 1 1 343.427 0.656 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001047427368 764312418 /nfs/dbraw/zinc/31/24/18/764312418.db2.gz PBTCHDSVNMIDJY-IRXDYDNUSA-N 1 1 343.427 0.656 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CC)ccn2)C1 ZINC000991885729 764320591 /nfs/dbraw/zinc/32/05/91/764320591.db2.gz JNZYMMKTRHLBEZ-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CC)ccn2)C1 ZINC000991885729 764320595 /nfs/dbraw/zinc/32/05/95/764320595.db2.gz JNZYMMKTRHLBEZ-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001047435956 764338540 /nfs/dbraw/zinc/33/85/40/764338540.db2.gz PKXVNQSEBFGSEQ-JQFCIGGWSA-N 1 1 330.432 0.350 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001047435956 764338547 /nfs/dbraw/zinc/33/85/47/764338547.db2.gz PKXVNQSEBFGSEQ-JQFCIGGWSA-N 1 1 330.432 0.350 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001047435956 764338552 /nfs/dbraw/zinc/33/85/52/764338552.db2.gz PKXVNQSEBFGSEQ-JQFCIGGWSA-N 1 1 330.432 0.350 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3nccn3c2)C1 ZINC001047457440 764402648 /nfs/dbraw/zinc/40/26/48/764402648.db2.gz XEGNQTDHVAAEEN-GJZGRUSLSA-N 1 1 329.404 0.813 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncc3cccnc32)C1 ZINC001047459666 764410695 /nfs/dbraw/zinc/41/06/95/764410695.db2.gz BCWHDUMRPKRHOU-GJZGRUSLSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)[C@@H]2C)cc1 ZINC001088906337 764418909 /nfs/dbraw/zinc/41/89/09/764418909.db2.gz PZEYDSYWVSPLLO-PBHICJAKSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H]2C)cc1 ZINC001088906337 764418919 /nfs/dbraw/zinc/41/89/19/764418919.db2.gz PZEYDSYWVSPLLO-PBHICJAKSA-N 1 1 343.427 0.979 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001047467636 764426947 /nfs/dbraw/zinc/42/69/47/764426947.db2.gz JFRATZZVMCFXMZ-GJZGRUSLSA-N 1 1 345.403 0.613 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001047467636 764426952 /nfs/dbraw/zinc/42/69/52/764426952.db2.gz JFRATZZVMCFXMZ-GJZGRUSLSA-N 1 1 345.403 0.613 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H]1C ZINC001088920471 764474559 /nfs/dbraw/zinc/47/45/59/764474559.db2.gz GSPBLSDYEDXVLG-OCCSQVGLSA-N 1 1 327.388 0.547 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001052429521 764477561 /nfs/dbraw/zinc/47/75/61/764477561.db2.gz NGUKVVDMXATOOL-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCC(=O)N(C)C)C2)nn1 ZINC001098766403 764496445 /nfs/dbraw/zinc/49/64/45/764496445.db2.gz CGWMJDJPPGUKDE-HNNXBMFYSA-N 1 1 348.451 0.586 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001047500688 764524175 /nfs/dbraw/zinc/52/41/75/764524175.db2.gz FRNHBJDUGZBINJ-COXVUDFISA-N 1 1 330.432 0.052 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cccc(OC)n3)C2)C1=O ZINC001032095909 764530488 /nfs/dbraw/zinc/53/04/88/764530488.db2.gz GZZGBONIEHRTTF-HNNXBMFYSA-N 1 1 344.415 0.539 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cccc(OC)n3)C2)C1=O ZINC001032095910 764530650 /nfs/dbraw/zinc/53/06/50/764530650.db2.gz GZZGBONIEHRTTF-OAHLLOKOSA-N 1 1 344.415 0.539 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001047502185 764530730 /nfs/dbraw/zinc/53/07/30/764530730.db2.gz YRVXHTGHVINJND-HOTGVXAUSA-N 1 1 331.416 0.473 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001047502185 764530734 /nfs/dbraw/zinc/53/07/34/764530734.db2.gz YRVXHTGHVINJND-HOTGVXAUSA-N 1 1 331.416 0.473 20 30 ECEDMO Cc1cccc(C)c1-n1nnnc1C[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124908380 764561200 /nfs/dbraw/zinc/56/12/00/764561200.db2.gz JJEHFBYHLQSNDV-ZDUSSCGKSA-N 1 1 327.392 0.645 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001047529224 764607869 /nfs/dbraw/zinc/60/78/69/764607869.db2.gz VLTHXYNGZYSGEO-GJZGRUSLSA-N 1 1 331.420 0.380 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001047529224 764607870 /nfs/dbraw/zinc/60/78/70/764607870.db2.gz VLTHXYNGZYSGEO-GJZGRUSLSA-N 1 1 331.420 0.380 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001047533290 764618345 /nfs/dbraw/zinc/61/83/45/764618345.db2.gz GVWCBIQLTQZZDJ-QZWWFDLISA-N 1 1 348.447 0.323 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001047533290 764618351 /nfs/dbraw/zinc/61/83/51/764618351.db2.gz GVWCBIQLTQZZDJ-QZWWFDLISA-N 1 1 348.447 0.323 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2)C1 ZINC001047547919 764657884 /nfs/dbraw/zinc/65/78/84/764657884.db2.gz IKMDQFITICBYJB-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001047548586 764661044 /nfs/dbraw/zinc/66/10/44/764661044.db2.gz CRJJYUPEJYWXBV-GJZGRUSLSA-N 1 1 344.477 0.281 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001047548586 764661047 /nfs/dbraw/zinc/66/10/47/764661047.db2.gz CRJJYUPEJYWXBV-GJZGRUSLSA-N 1 1 344.477 0.281 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001089883556 764662920 /nfs/dbraw/zinc/66/29/20/764662920.db2.gz NSCFUXBTABUKHB-QEWYBTABSA-N 1 1 340.427 0.919 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001089883552 764663130 /nfs/dbraw/zinc/66/31/30/764663130.db2.gz NSCFUXBTABUKHB-FAYQHZLMSA-N 1 1 340.427 0.919 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2NC(C)=O)C1 ZINC001047550910 764668691 /nfs/dbraw/zinc/66/86/91/764668691.db2.gz IVFCNYVUOXUVFO-HOTGVXAUSA-N 1 1 347.390 0.925 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2NC(C)=O)C1 ZINC001047550910 764668698 /nfs/dbraw/zinc/66/86/98/764668698.db2.gz IVFCNYVUOXUVFO-HOTGVXAUSA-N 1 1 347.390 0.925 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(Cl)nn(C)c2Cl)C1 ZINC001047558160 764691376 /nfs/dbraw/zinc/69/13/76/764691376.db2.gz ZEJJMKASTLCLLP-UWVGGRQHSA-N 1 1 345.230 0.867 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001047565202 764705511 /nfs/dbraw/zinc/70/55/11/764705511.db2.gz HRGJPDRNEUAEAR-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(CCC)n[nH]3)C2)C1=O ZINC001015471263 764713244 /nfs/dbraw/zinc/71/32/44/764713244.db2.gz MRIYNXYTCRWVKI-GDBMZVCRSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(CCC)n[nH]3)C2)C1=O ZINC001015471263 764713253 /nfs/dbraw/zinc/71/32/53/764713253.db2.gz MRIYNXYTCRWVKI-GDBMZVCRSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3sccn3c2=O)CC1 ZINC001052538931 764715314 /nfs/dbraw/zinc/71/53/14/764715314.db2.gz AOEUFXRIACQNFC-LBPRGKRZSA-N 1 1 330.413 0.974 20 30 ECEDMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077483221 764721011 /nfs/dbraw/zinc/72/10/11/764721011.db2.gz YNOREBUQJHSXQC-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077483221 764721013 /nfs/dbraw/zinc/72/10/13/764721013.db2.gz YNOREBUQJHSXQC-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001047572914 764733343 /nfs/dbraw/zinc/73/33/43/764733343.db2.gz SOJBKZPJDJNPMO-IKGGRYGDSA-N 1 1 341.411 0.388 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2noc3c2C[C@H](C)CC3)C1 ZINC001047582157 764770879 /nfs/dbraw/zinc/77/08/79/764770879.db2.gz HPOCSDGSLYEOSQ-SNPRPXQTSA-N 1 1 331.416 0.940 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001032138197 764791881 /nfs/dbraw/zinc/79/18/81/764791881.db2.gz PZRVIDFFUMBQFR-LBPRGKRZSA-N 1 1 326.400 0.392 20 30 ECEDMO Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)CSCC#N)nc(C)[nH+]1 ZINC001124968891 764791902 /nfs/dbraw/zinc/79/19/02/764791902.db2.gz BWPUEEDICSBPRT-CYBMUJFWSA-N 1 1 337.449 0.606 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001052583346 764797657 /nfs/dbraw/zinc/79/76/57/764797657.db2.gz GVWRTPZQBZZUBK-ZFWWWQNUSA-N 1 1 329.404 0.360 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001047590698 764800431 /nfs/dbraw/zinc/80/04/31/764800431.db2.gz GHWDOONFXSTJGK-GJZGRUSLSA-N 1 1 331.376 0.223 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001047590698 764800438 /nfs/dbraw/zinc/80/04/38/764800438.db2.gz GHWDOONFXSTJGK-GJZGRUSLSA-N 1 1 331.376 0.223 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2csc(COC)n2)C1 ZINC001047591584 764806946 /nfs/dbraw/zinc/80/69/46/764806946.db2.gz ZLELCFBTIMZRCR-STQMWFEESA-N 1 1 325.434 0.522 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)CC1 ZINC001052589544 764811200 /nfs/dbraw/zinc/81/12/00/764811200.db2.gz KGXNEPGYGDUSAM-LSDHHAIUSA-N 1 1 326.462 0.948 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)ccc1F ZINC001015504222 764818956 /nfs/dbraw/zinc/81/89/56/764818956.db2.gz NVYJDRMJIQGWHQ-UONOGXRCSA-N 1 1 330.363 0.524 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)ccc1F ZINC001015504222 764818959 /nfs/dbraw/zinc/81/89/59/764818959.db2.gz NVYJDRMJIQGWHQ-UONOGXRCSA-N 1 1 330.363 0.524 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001052598824 764827059 /nfs/dbraw/zinc/82/70/59/764827059.db2.gz JLXFZLGZMOZGLS-HOCLYGCPSA-N 1 1 346.431 0.442 20 30 ECEDMO C=CCOCC(=O)N(C)C[C@H](O)CN(C)c1cc(CC)[nH+]c(C)n1 ZINC001124987965 764833596 /nfs/dbraw/zinc/83/35/96/764833596.db2.gz FHERPMUFHUIYLO-OAHLLOKOSA-N 1 1 336.436 0.806 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)NC1=O ZINC001015514339 764850473 /nfs/dbraw/zinc/85/04/73/764850473.db2.gz PQZXTJCKMOXEQN-DZGCQCFKSA-N 1 1 345.378 0.411 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)NC1=O ZINC001015514339 764850482 /nfs/dbraw/zinc/85/04/82/764850482.db2.gz PQZXTJCKMOXEQN-DZGCQCFKSA-N 1 1 345.378 0.411 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC001047607502 764864899 /nfs/dbraw/zinc/86/48/99/764864899.db2.gz LBWFGBSRUREPAD-IRXDYDNUSA-N 1 1 329.400 0.785 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC001047607502 764864907 /nfs/dbraw/zinc/86/49/07/764864907.db2.gz LBWFGBSRUREPAD-IRXDYDNUSA-N 1 1 329.400 0.785 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001047618731 764897725 /nfs/dbraw/zinc/89/77/25/764897725.db2.gz LYTGDHRQEIBKQO-ZQIUZPCESA-N 1 1 332.400 0.906 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)CC2)n1 ZINC001052637202 764908249 /nfs/dbraw/zinc/90/82/49/764908249.db2.gz HEVFOASQMPNUGC-OAHLLOKOSA-N 1 1 339.403 0.866 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OCC)c(OC)c2)C1 ZINC001047623437 764909193 /nfs/dbraw/zinc/90/91/93/764909193.db2.gz LGHJBZRCKCJSAS-GJZGRUSLSA-N 1 1 332.400 0.844 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OCC)c(OC)c2)C1 ZINC001047623437 764909198 /nfs/dbraw/zinc/90/91/98/764909198.db2.gz LGHJBZRCKCJSAS-GJZGRUSLSA-N 1 1 332.400 0.844 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001047623350 764909510 /nfs/dbraw/zinc/90/95/10/764909510.db2.gz HKNIYLCQFLDVFU-IRXDYDNUSA-N 1 1 341.415 0.592 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001047623350 764909514 /nfs/dbraw/zinc/90/95/14/764909514.db2.gz HKNIYLCQFLDVFU-IRXDYDNUSA-N 1 1 341.415 0.592 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)csc2=O)C1 ZINC001047624058 764912082 /nfs/dbraw/zinc/91/20/82/764912082.db2.gz FSWCLVGACAIAMO-STQMWFEESA-N 1 1 325.434 0.298 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)cc1 ZINC001089064992 764923153 /nfs/dbraw/zinc/92/31/53/764923153.db2.gz HCHKXJBACOWCKC-CJNGLKHVSA-N 1 1 331.416 0.858 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)cc1 ZINC001089064992 764923157 /nfs/dbraw/zinc/92/31/57/764923157.db2.gz HCHKXJBACOWCKC-CJNGLKHVSA-N 1 1 331.416 0.858 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1=O ZINC001015565058 764972662 /nfs/dbraw/zinc/97/26/62/764972662.db2.gz XVWAJNPGPWPTSH-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)CC2)C1 ZINC001052692404 764997260 /nfs/dbraw/zinc/99/72/60/764997260.db2.gz BLLWUYBNTKZDCY-AWEZNQCLSA-N 1 1 348.447 0.865 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001098775506 765032707 /nfs/dbraw/zinc/03/27/07/765032707.db2.gz ZQXNGGUAHGQKBJ-INIZCTEOSA-N 1 1 332.452 0.506 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cn(C)nn3)CC2)nn1 ZINC001052774823 765095816 /nfs/dbraw/zinc/09/58/16/765095816.db2.gz KZSPGVHBACEHRU-CYBMUJFWSA-N 1 1 344.423 0.377 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cn(C)nn3)CC2)nn1 ZINC001052774823 765095824 /nfs/dbraw/zinc/09/58/24/765095824.db2.gz KZSPGVHBACEHRU-CYBMUJFWSA-N 1 1 344.423 0.377 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)CC2)nn1 ZINC001052775513 765098967 /nfs/dbraw/zinc/09/89/67/765098967.db2.gz WBERQJQFPKVYRF-AWEZNQCLSA-N 1 1 346.435 0.281 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001015634771 765108011 /nfs/dbraw/zinc/10/80/11/765108011.db2.gz NRKDSICQTSWXBX-GJZGRUSLSA-N 1 1 346.818 0.563 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001015634771 765108016 /nfs/dbraw/zinc/10/80/16/765108016.db2.gz NRKDSICQTSWXBX-GJZGRUSLSA-N 1 1 346.818 0.563 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001060418035 765112368 /nfs/dbraw/zinc/11/23/68/765112368.db2.gz SGYJXLWESYJMQC-XVTHAXPKSA-N 1 1 340.431 0.772 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001052783748 765114875 /nfs/dbraw/zinc/11/48/75/765114875.db2.gz ITNAMOGYEAEWDF-UIORMTCPSA-N 1 1 334.420 0.521 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CNS(=O)(=O)CC ZINC001099103032 765130868 /nfs/dbraw/zinc/13/08/68/765130868.db2.gz UKTKAEBCFJYCSH-CYBMUJFWSA-N 1 1 329.466 0.166 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC3=CCOCC3)C2)C1=O ZINC001015660579 765136309 /nfs/dbraw/zinc/13/63/09/765136309.db2.gz FBEBXMSBMRWTKE-JKSUJKDBSA-N 1 1 333.432 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC3=CCOCC3)C2)C1=O ZINC001015660579 765136312 /nfs/dbraw/zinc/13/63/12/765136312.db2.gz FBEBXMSBMRWTKE-JKSUJKDBSA-N 1 1 333.432 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)c1 ZINC001015679881 765151108 /nfs/dbraw/zinc/15/11/08/765151108.db2.gz OXTUCKXSKNCPHG-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cc3C)C2)C1=O ZINC001015681156 765154139 /nfs/dbraw/zinc/15/41/39/765154139.db2.gz OXQDUEFJNZFCGU-UKRRQHHQSA-N 1 1 344.415 0.687 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cc3C)C2)C1=O ZINC001015681156 765154144 /nfs/dbraw/zinc/15/41/44/765154144.db2.gz OXQDUEFJNZFCGU-UKRRQHHQSA-N 1 1 344.415 0.687 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CCNC1=O ZINC001015694729 765173967 /nfs/dbraw/zinc/17/39/67/765173967.db2.gz BULMPRTXZIYGKF-BDJLRTHQSA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CCNC1=O ZINC001015694729 765173973 /nfs/dbraw/zinc/17/39/73/765173973.db2.gz BULMPRTXZIYGKF-BDJLRTHQSA-N 1 1 332.429 0.836 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@H](C)C2)n1 ZINC001052821439 765181211 /nfs/dbraw/zinc/18/12/11/765181211.db2.gz NGCMZRZDMQJBGS-XNRPHZJLSA-N 1 1 342.447 0.939 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1F ZINC001015712201 765214801 /nfs/dbraw/zinc/21/48/01/765214801.db2.gz ZYGVKWBWFCDKMO-MJBXVCDLSA-N 1 1 330.363 0.509 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1F ZINC001015712201 765214806 /nfs/dbraw/zinc/21/48/06/765214806.db2.gz ZYGVKWBWFCDKMO-MJBXVCDLSA-N 1 1 330.363 0.509 20 30 ECEDMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)[nH]1 ZINC001015712487 765215118 /nfs/dbraw/zinc/21/51/18/765215118.db2.gz CZMNPNCDJGMRQF-HNNXBMFYSA-N 1 1 336.395 0.969 20 30 ECEDMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)[nH]1 ZINC001015712487 765215126 /nfs/dbraw/zinc/21/51/26/765215126.db2.gz CZMNPNCDJGMRQF-HNNXBMFYSA-N 1 1 336.395 0.969 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001052844189 765216752 /nfs/dbraw/zinc/21/67/52/765216752.db2.gz GXNZMVPOWVQFDM-LBPRGKRZSA-N 1 1 342.827 0.652 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001015718833 765232316 /nfs/dbraw/zinc/23/23/16/765232316.db2.gz ZQUFNHPXVALSCX-LSDHHAIUSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001015718833 765232321 /nfs/dbraw/zinc/23/23/21/765232321.db2.gz ZQUFNHPXVALSCX-LSDHHAIUSA-N 1 1 331.420 0.169 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001099106671 765241265 /nfs/dbraw/zinc/24/12/65/765241265.db2.gz LPAUTMNBYPJDSD-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000992038444 765246232 /nfs/dbraw/zinc/24/62/32/765246232.db2.gz VWUOWDHVRFANEP-XHSDSOJGSA-N 1 1 335.448 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)nc1 ZINC001052873094 765270443 /nfs/dbraw/zinc/27/04/43/765270443.db2.gz ACQQRTPYPAAWKN-HOCLYGCPSA-N 1 1 328.416 0.911 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2-n2cccn2)C1 ZINC001077488817 765274014 /nfs/dbraw/zinc/27/40/14/765274014.db2.gz JYWBXUWQKDPYFN-HUUCEWRRSA-N 1 1 325.372 0.066 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2-n2cccn2)C1 ZINC001077488817 765274020 /nfs/dbraw/zinc/27/40/20/765274020.db2.gz JYWBXUWQKDPYFN-HUUCEWRRSA-N 1 1 325.372 0.066 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cncc(OC)n3)C2)C1=O ZINC001015795357 765332726 /nfs/dbraw/zinc/33/27/26/765332726.db2.gz VBYUOPRQWTVYJW-OCCSQVGLSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cncc(OC)n3)C2)C1=O ZINC001015795357 765332732 /nfs/dbraw/zinc/33/27/32/765332732.db2.gz VBYUOPRQWTVYJW-OCCSQVGLSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3nonc3C)CC2)C1=O ZINC001052973906 765439579 /nfs/dbraw/zinc/43/95/79/765439579.db2.gz FWGNFJKBPAGOEF-ZIAGYGMSSA-N 1 1 347.419 0.749 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001052981085 765453211 /nfs/dbraw/zinc/45/32/11/765453211.db2.gz MOPLJEYWNARPKY-SJORKVTESA-N 1 1 349.475 0.579 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)cn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001127233263 765466442 /nfs/dbraw/zinc/46/64/42/765466442.db2.gz NPZWSZLAIDURAK-OAHLLOKOSA-N 1 1 331.420 0.934 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC001053006597 765480476 /nfs/dbraw/zinc/48/04/76/765480476.db2.gz VQHRFGKORJPJFB-JKSUJKDBSA-N 1 1 330.436 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001053032294 765506821 /nfs/dbraw/zinc/50/68/21/765506821.db2.gz NVFWUVFLKVGYSW-IAGOWNOFSA-N 1 1 346.475 0.986 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001015903901 765519303 /nfs/dbraw/zinc/51/93/03/765519303.db2.gz WFUHEJLIOFGGBG-INMHGKMJSA-N 1 1 344.459 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001015903901 765519306 /nfs/dbraw/zinc/51/93/06/765519306.db2.gz WFUHEJLIOFGGBG-INMHGKMJSA-N 1 1 344.459 0.987 20 30 ECEDMO C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)CSCC#N ZINC001077495447 765636604 /nfs/dbraw/zinc/63/66/04/765636604.db2.gz FOXAQNVICQYTAI-STQMWFEESA-N 1 1 326.466 0.596 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)cc1F ZINC000992151982 765685843 /nfs/dbraw/zinc/68/58/43/765685843.db2.gz DPLGIIFNKXDUMO-PBHICJAKSA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)cc1F ZINC000992151982 765685846 /nfs/dbraw/zinc/68/58/46/765685846.db2.gz DPLGIIFNKXDUMO-PBHICJAKSA-N 1 1 330.363 0.796 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)nc1 ZINC001016025851 765729664 /nfs/dbraw/zinc/72/96/64/765729664.db2.gz BROXABLEWDTUJQ-INIZCTEOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)nc1 ZINC001016026464 765730235 /nfs/dbraw/zinc/73/02/35/765730235.db2.gz HOHWRPYLLOBBBM-CABCVRRESA-N 1 1 336.399 0.646 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001016137490 765832533 /nfs/dbraw/zinc/83/25/33/765832533.db2.gz UMAKNHHAGUGKJQ-OCCSQVGLSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001016137490 765832540 /nfs/dbraw/zinc/83/25/40/765832540.db2.gz UMAKNHHAGUGKJQ-OCCSQVGLSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1=O ZINC001030825607 765859714 /nfs/dbraw/zinc/85/97/14/765859714.db2.gz NWHROFAIFNIKGH-NVXWUHKLSA-N 1 1 348.491 0.696 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)CC(C)(C)C ZINC001106108927 765867127 /nfs/dbraw/zinc/86/71/27/765867127.db2.gz SJINTPKJURFLND-ZDUSSCGKSA-N 1 1 334.424 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccn[nH]2)C1 ZINC000992207454 765893770 /nfs/dbraw/zinc/89/37/70/765893770.db2.gz MTBHKAXXYZPCJT-PIMMBPRGSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccn[nH]2)C1 ZINC000992207454 765893772 /nfs/dbraw/zinc/89/37/72/765893772.db2.gz MTBHKAXXYZPCJT-PIMMBPRGSA-N 1 1 329.404 0.132 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3csc(C)n3)C2)C1=O ZINC001016197240 765893914 /nfs/dbraw/zinc/89/39/14/765893914.db2.gz HWAKAWSEXKUCED-DZGCQCFKSA-N 1 1 348.472 0.971 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3csc(C)n3)C2)C1=O ZINC001016197240 765893921 /nfs/dbraw/zinc/89/39/21/765893921.db2.gz HWAKAWSEXKUCED-DZGCQCFKSA-N 1 1 348.472 0.971 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCOC3(CN(CC#N)C3)C1)CC2 ZINC001053393478 766075045 /nfs/dbraw/zinc/07/50/45/766075045.db2.gz NEVOVMSEDVHMSG-CQSZACIVSA-N 1 1 329.404 0.191 20 30 ECEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001089221332 766094935 /nfs/dbraw/zinc/09/49/35/766094935.db2.gz DIYIDIKLHQWVOB-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN([C@@H](C)c3n[nH]c(C)n3)C2)CC1 ZINC001016338397 766146533 /nfs/dbraw/zinc/14/65/33/766146533.db2.gz ZWXKRWINQKKWKU-BBRMVZONSA-N 1 1 344.463 0.710 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)[C@@H](O)C1 ZINC001083684959 766152742 /nfs/dbraw/zinc/15/27/42/766152742.db2.gz VUZAFXFGZDIACJ-CVEARBPZSA-N 1 1 325.368 0.739 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cnc(OC)nc1)CCO2 ZINC001053495625 766234729 /nfs/dbraw/zinc/23/47/29/766234729.db2.gz XQOKXMGIZBEBRY-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@@H]12 ZINC000992343633 766332845 /nfs/dbraw/zinc/33/28/45/766332845.db2.gz PORSFUQEMJDEDF-BJAXYTJBSA-N 1 1 346.431 0.664 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045773076 766351875 /nfs/dbraw/zinc/35/18/75/766351875.db2.gz VXTRVDTZVMCRMY-CQSZACIVSA-N 1 1 335.448 0.517 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cn(C[C@@H]4CCOC4)nn3)CCC[C@@H]12 ZINC000992356983 766371523 /nfs/dbraw/zinc/37/15/23/766371523.db2.gz AQEXNKTWKXYXFA-YXJHDRRASA-N 1 1 343.431 0.675 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccncc3C)C2)C1=O ZINC001031659085 766373855 /nfs/dbraw/zinc/37/38/55/766373855.db2.gz LZQWBKPFYFMTRF-INIZCTEOSA-N 1 1 328.416 0.839 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cscn3)C2)C1=O ZINC001015802208 766398560 /nfs/dbraw/zinc/39/85/60/766398560.db2.gz GIZWFFIQYMAVND-JSGCOSHPSA-N 1 1 334.445 0.663 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cscn3)C2)C1=O ZINC001015802208 766398567 /nfs/dbraw/zinc/39/85/67/766398567.db2.gz GIZWFFIQYMAVND-JSGCOSHPSA-N 1 1 334.445 0.663 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001053600367 766407362 /nfs/dbraw/zinc/40/73/62/766407362.db2.gz HEQWOYGDPHLOOV-OAGGEKHMSA-N 1 1 338.448 0.700 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC(=O)N(C(C)C)C1)O2 ZINC001053604476 766414678 /nfs/dbraw/zinc/41/46/78/766414678.db2.gz HCIKTIQUHSUMAL-JKSUJKDBSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1)O2 ZINC001053606468 766421048 /nfs/dbraw/zinc/42/10/48/766421048.db2.gz KVYUYEVTSLKRJO-IRXDYDNUSA-N 1 1 333.476 0.947 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@H]12 ZINC000992377900 766434345 /nfs/dbraw/zinc/43/43/45/766434345.db2.gz IXBTXQSNQKOALW-YVEFUNNKSA-N 1 1 332.404 0.063 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@H]12 ZINC000992387163 766450728 /nfs/dbraw/zinc/45/07/28/766450728.db2.gz ZYXUFDCDEMXVCD-UGSOOPFHSA-N 1 1 346.431 0.453 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)NC)cn1 ZINC001045880139 766462560 /nfs/dbraw/zinc/46/25/60/766462560.db2.gz JXDIEBBPJRVJKX-XYPHTWIQSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@H]12 ZINC000992397136 766475095 /nfs/dbraw/zinc/47/50/95/766475095.db2.gz NPPFICKQYZSTCN-MGPLVRAMSA-N 1 1 332.360 0.256 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(C)nc1OC)O2 ZINC001053635621 766488180 /nfs/dbraw/zinc/48/81/80/766488180.db2.gz IESRMSFNLRZWFG-ZDUSSCGKSA-N 1 1 332.404 0.415 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001045930886 766500912 /nfs/dbraw/zinc/50/09/12/766500912.db2.gz XRLYUIIDXQARCF-SFHVURJKSA-N 1 1 343.431 0.951 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CN=NC1=O)C2 ZINC001045931778 766501846 /nfs/dbraw/zinc/50/18/46/766501846.db2.gz LQHWKEUHVKARAS-QGZVFWFLSA-N 1 1 331.420 0.712 20 30 ECEDMO C=CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649742 766511952 /nfs/dbraw/zinc/51/19/52/766511952.db2.gz VLEPWEWDOILNHD-HZPDHXFCSA-N 1 1 337.464 0.631 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)N1C(=O)CCC1=O)C2 ZINC001045942117 766513042 /nfs/dbraw/zinc/51/30/42/766513042.db2.gz RNYQKXAGCRWUHM-KXBFYZLASA-N 1 1 345.443 0.862 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1CCC3(CN(CC#N)C3)O1)CC2 ZINC001053654085 766519646 /nfs/dbraw/zinc/51/96/46/766519646.db2.gz FGHQJUNUPSCPEB-ZBFHGGJFSA-N 1 1 343.431 0.627 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC3(C[NH+](C[C@@H](C)O)C3)O2)nn1 ZINC001053677006 766560387 /nfs/dbraw/zinc/56/03/87/766560387.db2.gz OTYSZUYWMWWKMM-KGLIPLIRSA-N 1 1 349.435 0.198 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC3(C[NH+](C[C@@H](C)OC)C3)O2)nn1 ZINC001053676806 766560743 /nfs/dbraw/zinc/56/07/43/766560743.db2.gz KBIJZAGFJOCJNA-KGLIPLIRSA-N 1 1 349.435 0.462 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](N3CCN(C(=O)C4CC4)CC3)C2)C1=O ZINC001045991678 766572238 /nfs/dbraw/zinc/57/22/38/766572238.db2.gz CLVYANBULSKEBM-DLBZAZTESA-N 1 1 346.475 0.402 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCCN1C(N)=O)O2 ZINC001053687542 766591074 /nfs/dbraw/zinc/59/10/74/766591074.db2.gz TYBQZRTXPZYPKE-GJZGRUSLSA-N 1 1 348.447 0.293 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)=O)O2 ZINC001053692076 766600204 /nfs/dbraw/zinc/60/02/04/766600204.db2.gz JGWAETGDPRNUGS-CVEARBPZSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1OC ZINC001212258124 766600730 /nfs/dbraw/zinc/60/07/30/766600730.db2.gz NLAXZHHYOGRNNU-USXIJHARSA-N 1 1 348.447 0.299 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 ZINC001046000740 766601149 /nfs/dbraw/zinc/60/11/49/766601149.db2.gz XPEIRTOCPYGOPN-KRWDZBQOSA-N 1 1 328.416 0.175 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3nncn3C1)O2 ZINC001053700986 766622375 /nfs/dbraw/zinc/62/23/75/766622375.db2.gz JSEGSWSUFOJCEM-HUUCEWRRSA-N 1 1 343.431 0.213 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(N)=O)cs1)O2 ZINC001053702273 766624533 /nfs/dbraw/zinc/62/45/33/766624533.db2.gz SFIBYYZOIPCEDP-ZDUSSCGKSA-N 1 1 347.440 0.834 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(CC)n(C)n1)O2 ZINC001053705033 766630657 /nfs/dbraw/zinc/63/06/57/766630657.db2.gz UOXBUEOSMSDWKX-OAHLLOKOSA-N 1 1 330.432 0.969 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)on1 ZINC001046011544 766635772 /nfs/dbraw/zinc/63/57/72/766635772.db2.gz DPOFDFZTQRIROU-UKRRQHHQSA-N 1 1 331.420 0.861 20 30 ECEDMO CCn1nncc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011574 766636956 /nfs/dbraw/zinc/63/69/56/766636956.db2.gz FCHYRJQVWURLBY-GJZGRUSLSA-N 1 1 345.451 0.176 20 30 ECEDMO CCn1nncc1C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011574 766636960 /nfs/dbraw/zinc/63/69/60/766636960.db2.gz FCHYRJQVWURLBY-GJZGRUSLSA-N 1 1 345.451 0.176 20 30 ECEDMO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)nn1C ZINC001046013465 766642622 /nfs/dbraw/zinc/64/26/22/766642622.db2.gz YWXKCEBULMHHKI-WMLDXEAASA-N 1 1 344.463 0.607 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)nn1C ZINC001046013465 766642627 /nfs/dbraw/zinc/64/26/27/766642627.db2.gz YWXKCEBULMHHKI-WMLDXEAASA-N 1 1 344.463 0.607 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cc(C)on3)CC2)C1 ZINC001046013557 766643861 /nfs/dbraw/zinc/64/38/61/766643861.db2.gz DFRIMAAYOREQBS-KRWDZBQOSA-N 1 1 330.432 0.767 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046018427 766656214 /nfs/dbraw/zinc/65/62/14/766656214.db2.gz WZWXBVRKQWQTMK-INIZCTEOSA-N 1 1 325.416 0.742 20 30 ECEDMO CN1C[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001031709195 766663225 /nfs/dbraw/zinc/66/32/25/766663225.db2.gz LCVRXDCKQGXKKH-MRXNPFEDSA-N 1 1 326.400 0.585 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001046024528 766676354 /nfs/dbraw/zinc/67/63/54/766676354.db2.gz MXTWRMFCROOOIG-LSDHHAIUSA-N 1 1 336.436 0.280 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992483991 766685909 /nfs/dbraw/zinc/68/59/09/766685909.db2.gz ZKYVBWNHYRAPMB-DYVFJYSZSA-N 1 1 332.404 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC2=CCOCC2)C1 ZINC000994750670 766687315 /nfs/dbraw/zinc/68/73/15/766687315.db2.gz BEABCAPZXCKKBO-INIZCTEOSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC2=CCOCC2)C1 ZINC000994750670 766687321 /nfs/dbraw/zinc/68/73/21/766687321.db2.gz BEABCAPZXCKKBO-INIZCTEOSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000994749781 766692653 /nfs/dbraw/zinc/69/26/53/766692653.db2.gz DGEXEEZBPFSGLV-IKGGRYGDSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000994749781 766692658 /nfs/dbraw/zinc/69/26/58/766692658.db2.gz DGEXEEZBPFSGLV-IKGGRYGDSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)C1 ZINC001046029729 766695801 /nfs/dbraw/zinc/69/58/01/766695801.db2.gz AGXWWNRKRVTBLK-CVEARBPZSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccn(CC)n3)CC2)C1 ZINC001046032100 766704369 /nfs/dbraw/zinc/70/43/69/766704369.db2.gz CQVFYRUNBNGLFL-QGZVFWFLSA-N 1 1 329.448 0.297 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cccc4n[nH]nc43)CC2)C1 ZINC001046032154 766704822 /nfs/dbraw/zinc/70/48/22/766704822.db2.gz FAMBUDIOPDNMFK-CQSZACIVSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc4nn[nH]c43)CC2)C1 ZINC001046032154 766704825 /nfs/dbraw/zinc/70/48/25/766704825.db2.gz FAMBUDIOPDNMFK-CQSZACIVSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cccc4nn[nH]c43)CC2)C1 ZINC001046032154 766704829 /nfs/dbraw/zinc/70/48/29/766704829.db2.gz FAMBUDIOPDNMFK-CQSZACIVSA-N 1 1 340.431 0.976 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@@H]12 ZINC000992496303 766709858 /nfs/dbraw/zinc/70/98/58/766709858.db2.gz SXPYKYZSSSFIMG-ACJLOTCBSA-N 1 1 346.431 0.453 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)C1 ZINC001083763366 766717700 /nfs/dbraw/zinc/71/77/00/766717700.db2.gz HIKDAWZWEVGVPK-AGIUHOORSA-N 1 1 330.375 0.928 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)C1 ZINC001083763366 766717708 /nfs/dbraw/zinc/71/77/08/766717708.db2.gz HIKDAWZWEVGVPK-AGIUHOORSA-N 1 1 330.375 0.928 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nnn3CC)CC2)C1 ZINC001046035861 766722627 /nfs/dbraw/zinc/72/26/27/766722627.db2.gz UZCHCXOZNVGYOH-HNNXBMFYSA-N 1 1 330.436 0.072 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)c2cncnc2)C1 ZINC000994756284 766726810 /nfs/dbraw/zinc/72/68/10/766726810.db2.gz WQZSQSNEZCVNIW-CJNGLKHVSA-N 1 1 341.415 0.005 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)c2cncnc2)C1 ZINC000994756284 766726816 /nfs/dbraw/zinc/72/68/16/766726816.db2.gz WQZSQSNEZCVNIW-CJNGLKHVSA-N 1 1 341.415 0.005 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cncs3)CC2)C1 ZINC001046037502 766733997 /nfs/dbraw/zinc/73/39/97/766733997.db2.gz RBRDNWSCWXGSHM-HNNXBMFYSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046037826 766736825 /nfs/dbraw/zinc/73/68/25/766736825.db2.gz ZXFWHMXBHLHFMC-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncc(F)cc3F)CC2)C1 ZINC001046037930 766737129 /nfs/dbraw/zinc/73/71/29/766737129.db2.gz CEAYPOMWKOBFMO-AWEZNQCLSA-N 1 1 334.370 0.825 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)C1 ZINC001046039018 766741320 /nfs/dbraw/zinc/74/13/20/766741320.db2.gz MKQMAXSSNMNYNP-DLBZAZTESA-N 1 1 343.475 0.850 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)C1 ZINC001046041309 766751384 /nfs/dbraw/zinc/75/13/84/766751384.db2.gz FQROIKNGWMLQIN-HZPDHXFCSA-N 1 1 349.479 0.182 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3snnc3CC)CC2)C1 ZINC001046041183 766751492 /nfs/dbraw/zinc/75/14/92/766751492.db2.gz FLFBZTUKKJJHSY-CQSZACIVSA-N 1 1 347.488 0.956 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2N([C@@H](C)C(N)=O)CC3)CC1 ZINC000992515627 766755263 /nfs/dbraw/zinc/75/52/63/766755263.db2.gz ZGXWTSDJSBBIKM-GMBSWORKSA-N 1 1 346.475 0.319 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc(OC)c3)CC2)C1 ZINC001046043000 766759320 /nfs/dbraw/zinc/75/93/20/766759320.db2.gz QZKHRNDVFBGWSW-MRXNPFEDSA-N 1 1 328.416 0.556 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC001046043092 766759530 /nfs/dbraw/zinc/75/95/30/766759530.db2.gz VENVBBVMFOYWQJ-OAHLLOKOSA-N 1 1 341.459 0.754 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(=O)c(OC)co3)CC2)C1 ZINC001046043953 766765075 /nfs/dbraw/zinc/76/50/75/766765075.db2.gz NWFHCEOAHPVLAG-AWEZNQCLSA-N 1 1 345.399 0.114 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC001046044240 766766122 /nfs/dbraw/zinc/76/61/22/766766122.db2.gz RIEUPUPDADFNHC-QGZVFWFLSA-N 1 1 329.448 0.814 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC001046044769 766769270 /nfs/dbraw/zinc/76/92/70/766769270.db2.gz QYFOXRAUGQAMAJ-MRXNPFEDSA-N 1 1 342.443 0.241 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)nnc3C)CC2)C1 ZINC001046047020 766775944 /nfs/dbraw/zinc/77/59/44/766775944.db2.gz HCIZDZJGLPZGIB-KRWDZBQOSA-N 1 1 341.459 0.813 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cncc(C)c3)CC2)C1 ZINC001046047196 766777912 /nfs/dbraw/zinc/77/79/12/766777912.db2.gz MAYOSEFMXKBEMQ-SFHVURJKSA-N 1 1 326.444 0.784 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C(C)C)cn3)CC2)C1 ZINC001046047991 766779381 /nfs/dbraw/zinc/77/93/81/766779381.db2.gz MXLHAZWALPYQML-INIZCTEOSA-N 1 1 329.448 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3nc(C)no3)CC2)C1 ZINC001046049764 766784851 /nfs/dbraw/zinc/78/48/51/766784851.db2.gz XJBFCXXFAMOECA-HNNXBMFYSA-N 1 1 331.420 0.162 20 30 ECEDMO CC[C@H](C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CO2)OC ZINC001053766442 766785650 /nfs/dbraw/zinc/78/56/50/766785650.db2.gz NJHZXYAAPRDVRL-ZIAGYGMSSA-N 1 1 332.404 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001046051649 766791533 /nfs/dbraw/zinc/79/15/33/766791533.db2.gz MBQKHJSOPKCSJH-HZPDHXFCSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CC1 ZINC001046051489 766792370 /nfs/dbraw/zinc/79/23/70/766792370.db2.gz INOHHOHMMVQUAC-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001046051945 766792944 /nfs/dbraw/zinc/79/29/44/766792944.db2.gz RYSJNKUJFCSGNG-HNNXBMFYSA-N 1 1 336.480 0.505 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)CC2)C1 ZINC001046054439 766801322 /nfs/dbraw/zinc/80/13/22/766801322.db2.gz NIEKQYXKPIRGEN-LSDHHAIUSA-N 1 1 344.463 0.629 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2COC3(C[NH+](CC[C@H]4CCOC4)C3)C2)c[nH]1 ZINC001053780534 766820235 /nfs/dbraw/zinc/82/02/35/766820235.db2.gz MUTQRXLGANURFX-XJKSGUPXSA-N 1 1 344.415 0.886 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046059468 766822440 /nfs/dbraw/zinc/82/24/40/766822440.db2.gz IITXXJJQGAWDRQ-DLBZAZTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN([C@H]3CC[N@H+](CCF)C3)CC2)c1 ZINC001046062948 766836333 /nfs/dbraw/zinc/83/63/33/766836333.db2.gz XCTDVXAXYGMFKG-KRWDZBQOSA-N 1 1 330.407 0.865 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046063599 766839153 /nfs/dbraw/zinc/83/91/53/766839153.db2.gz SCAGTJUXCZSBSW-OAGGEKHMSA-N 1 1 334.464 0.293 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)cc3OC)CC2)C1 ZINC001046064401 766844680 /nfs/dbraw/zinc/84/46/80/766844680.db2.gz MPPWOUSHTNGBKZ-CQSZACIVSA-N 1 1 346.431 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC001046066642 766855418 /nfs/dbraw/zinc/85/54/18/766855418.db2.gz OLGXMMZFPQDMLS-OAHLLOKOSA-N 1 1 335.839 0.388 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)C1 ZINC001046067831 766861670 /nfs/dbraw/zinc/86/16/70/766861670.db2.gz VZPDILUYQRLINT-INIZCTEOSA-N 1 1 342.443 0.951 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@H]3CC[N@H+](CCC)C3)CC2)nn1 ZINC001046068619 766862759 /nfs/dbraw/zinc/86/27/59/766862759.db2.gz PEJGAZWFPWYINV-HNNXBMFYSA-N 1 1 332.452 0.706 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@@H]3CC[N@@H+](CC=C)C3)CC2)nn1 ZINC001046068966 766865557 /nfs/dbraw/zinc/86/55/57/766865557.db2.gz YIRYQURXERJNKQ-OAHLLOKOSA-N 1 1 330.436 0.482 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)COc3cccnc3)CC2)C1 ZINC001046071118 766877810 /nfs/dbraw/zinc/87/78/10/766877810.db2.gz FXPCDFAUOWQJQD-INIZCTEOSA-N 1 1 328.416 0.312 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC001046076302 766902919 /nfs/dbraw/zinc/90/29/19/766902919.db2.gz DGGJQMRFVJURKF-MRXNPFEDSA-N 1 1 343.431 0.341 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC001046077126 766906534 /nfs/dbraw/zinc/90/65/34/766906534.db2.gz KIFYRNUXTWANHX-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046081807 766920196 /nfs/dbraw/zinc/92/01/96/766920196.db2.gz OYZGBNWSSZRCMP-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3CCN(C(N)=O)CC3)CC2)C1 ZINC001046082340 766921700 /nfs/dbraw/zinc/92/17/00/766921700.db2.gz QUOVGZZPXKUSIU-INIZCTEOSA-N 1 1 349.479 0.182 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)C1 ZINC001046082730 766922378 /nfs/dbraw/zinc/92/23/78/766922378.db2.gz WALKBPJTWILFDS-KRWDZBQOSA-N 1 1 340.427 0.251 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(N)=O)cs3)CC2)C1 ZINC001046084957 766926115 /nfs/dbraw/zinc/92/61/15/766926115.db2.gz ISZABROKEQJKIP-CQSZACIVSA-N 1 1 348.472 0.865 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046085759 766927091 /nfs/dbraw/zinc/92/70/91/766927091.db2.gz QVYGTBSXKBYOGY-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)CO2 ZINC001053820699 766935028 /nfs/dbraw/zinc/93/50/28/766935028.db2.gz JSQITBLMQIMFNT-KGLIPLIRSA-N 1 1 349.431 0.450 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CCC1 ZINC001046119568 766947857 /nfs/dbraw/zinc/94/78/57/766947857.db2.gz FPTKIXKIWFLFOA-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001046120317 766949811 /nfs/dbraw/zinc/94/98/11/766949811.db2.gz VUPZUSWKIJREOA-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)CO2 ZINC001053827205 766955197 /nfs/dbraw/zinc/95/51/97/766955197.db2.gz TXIWRIKYBGAQPX-LSDHHAIUSA-N 1 1 328.416 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(Cc3ccon3)C2)C1 ZINC001053833116 766970113 /nfs/dbraw/zinc/97/01/13/766970113.db2.gz SXWDGQDFWTYVLQ-HOTGVXAUSA-N 1 1 344.415 0.232 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(Cc3ccon3)C2)C1 ZINC001053833116 766970122 /nfs/dbraw/zinc/97/01/22/766970122.db2.gz SXWDGQDFWTYVLQ-HOTGVXAUSA-N 1 1 344.415 0.232 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCN(C)C(C)=O)C2)nn1 ZINC001098779894 766974749 /nfs/dbraw/zinc/97/47/49/766974749.db2.gz MSAYEDGPSUCTIF-MRXNPFEDSA-N 1 1 348.451 0.586 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ncc(Cl)n2C)C1 ZINC001031740862 766987034 /nfs/dbraw/zinc/98/70/34/766987034.db2.gz MTACVCCFDJNPNS-AWEZNQCLSA-N 1 1 349.866 0.719 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ncc(Cl)n2C)C1 ZINC001031740862 766987042 /nfs/dbraw/zinc/98/70/42/766987042.db2.gz MTACVCCFDJNPNS-AWEZNQCLSA-N 1 1 349.866 0.719 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@@H]2O)c1 ZINC001083764979 766998135 /nfs/dbraw/zinc/99/81/35/766998135.db2.gz HMNSIJRXJSMLIN-FGTMMUONSA-N 1 1 343.427 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cncnc3C)C2)C1=O ZINC001046168289 767007278 /nfs/dbraw/zinc/00/72/78/767007278.db2.gz JYZBEMWIRUIAAJ-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cncnc3C)C2)C1=O ZINC001046168289 767007289 /nfs/dbraw/zinc/00/72/89/767007289.db2.gz JYZBEMWIRUIAAJ-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)c1 ZINC000994852447 767018674 /nfs/dbraw/zinc/01/86/74/767018674.db2.gz DSOAICJCQMNOKA-HOCLYGCPSA-N 1 1 341.415 0.844 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046198669 767051402 /nfs/dbraw/zinc/05/14/02/767051402.db2.gz XNWDNZURBIWXFN-CRAIPNDOSA-N 1 1 326.400 0.917 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046198669 767051407 /nfs/dbraw/zinc/05/14/07/767051407.db2.gz XNWDNZURBIWXFN-CRAIPNDOSA-N 1 1 326.400 0.917 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001046222515 767091147 /nfs/dbraw/zinc/09/11/47/767091147.db2.gz VRDJUBQBPYNCGX-KSSFIOAISA-N 1 1 344.415 0.768 20 30 ECEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001089702442 767099780 /nfs/dbraw/zinc/09/97/80/767099780.db2.gz APKUFNDYOUDIDC-OLZOCXBDSA-N 1 1 336.436 0.767 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001089709769 767112450 /nfs/dbraw/zinc/11/24/50/767112450.db2.gz XVVHJUWQWFGGRC-KBPBESRZSA-N 1 1 341.477 0.260 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001089709769 767112451 /nfs/dbraw/zinc/11/24/51/767112451.db2.gz XVVHJUWQWFGGRC-KBPBESRZSA-N 1 1 341.477 0.260 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)[C@H](OC)C1 ZINC001212282412 767130245 /nfs/dbraw/zinc/13/02/45/767130245.db2.gz RZDMORYYSLKECF-KBRIMQKVSA-N 1 1 348.447 0.848 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC001089731209 767134070 /nfs/dbraw/zinc/13/40/70/767134070.db2.gz NEOHVTJGHGEYLR-GFCCVEGCSA-N 1 1 331.420 0.982 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001089735176 767136786 /nfs/dbraw/zinc/13/67/86/767136786.db2.gz GLNOEFXFGFSDNJ-KBPBESRZSA-N 1 1 341.477 0.308 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001089735527 767136984 /nfs/dbraw/zinc/13/69/84/767136984.db2.gz MXOVWGNNTVHCDP-UONOGXRCSA-N 1 1 341.477 0.308 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@H](OC)C1 ZINC001212291318 767167436 /nfs/dbraw/zinc/16/74/36/767167436.db2.gz HCWSMJXJIJSVKR-HUUCEWRRSA-N 1 1 334.420 0.254 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@H](OC)C1 ZINC001212291318 767167437 /nfs/dbraw/zinc/16/74/37/767167437.db2.gz HCWSMJXJIJSVKR-HUUCEWRRSA-N 1 1 334.420 0.254 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001046399484 767195982 /nfs/dbraw/zinc/19/59/82/767195982.db2.gz HSSJYIVSJVFPEC-YVEFUNNKSA-N 1 1 347.419 0.405 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001046420447 767208354 /nfs/dbraw/zinc/20/83/54/767208354.db2.gz FMWPLJKCNGOASR-DYEKYZERSA-N 1 1 334.338 0.937 20 30 ECEDMO CCN1CCOC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031796269 767222376 /nfs/dbraw/zinc/22/23/76/767222376.db2.gz GDGRJBDDVFMUEL-GOSISDBHSA-N 1 1 342.443 0.827 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cnn(C)c2N)C1 ZINC001089798423 767223082 /nfs/dbraw/zinc/22/30/82/767223082.db2.gz SUVVHLZNQQCADJ-TUUVXOQKSA-N 1 1 327.432 0.808 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)c(C)n[nH]c1=O)CO2 ZINC001053889029 767227823 /nfs/dbraw/zinc/22/78/23/767227823.db2.gz YUDLGKVBNCBXPK-ZDUSSCGKSA-N 1 1 332.404 0.948 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn(CCOC)nn2)C1 ZINC001089808132 767234206 /nfs/dbraw/zinc/23/42/06/767234206.db2.gz GYJQNDULQIKDAM-JKQORVJESA-N 1 1 345.447 0.893 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CS(=O)(=O)C1 ZINC001089806917 767234309 /nfs/dbraw/zinc/23/43/09/767234309.db2.gz VWSRWUIGYZCNIO-UKMLZYKCSA-N 1 1 338.473 0.776 20 30 ECEDMO Cn1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C#CC3CC3)C2)n1 ZINC001089807252 767234555 /nfs/dbraw/zinc/23/45/55/767234555.db2.gz XRZFLOITTFBXOB-DKIMLUQUSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C#CC3CC3)C2)n1 ZINC001089807252 767234557 /nfs/dbraw/zinc/23/45/57/767234557.db2.gz XRZFLOITTFBXOB-DKIMLUQUSA-N 1 1 339.443 0.897 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046538544 767289280 /nfs/dbraw/zinc/28/92/80/767289280.db2.gz KPVPUDLPXMDQQR-QAPCUYQASA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046538544 767289282 /nfs/dbraw/zinc/28/92/82/767289282.db2.gz KPVPUDLPXMDQQR-QAPCUYQASA-N 1 1 326.400 0.775 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089820165 767312296 /nfs/dbraw/zinc/31/22/96/767312296.db2.gz LJINRPKUJOEBSP-YVSFHVDLSA-N 1 1 345.443 0.037 20 30 ECEDMO C=CCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053904399 767312529 /nfs/dbraw/zinc/31/25/29/767312529.db2.gz NBDCWHPXBRKTBU-HZPDHXFCSA-N 1 1 337.464 0.631 20 30 ECEDMO C=CCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053904399 767312532 /nfs/dbraw/zinc/31/25/32/767312532.db2.gz NBDCWHPXBRKTBU-HZPDHXFCSA-N 1 1 337.464 0.631 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001042021547 782614928 /nfs/dbraw/zinc/61/49/28/782614928.db2.gz QPDRCJWLBTZQHF-GJZGRUSLSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001042021547 782614938 /nfs/dbraw/zinc/61/49/38/782614938.db2.gz QPDRCJWLBTZQHF-GJZGRUSLSA-N 1 1 327.856 0.994 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nc(C)c(C)[nH]c1=O ZINC001089823472 767340164 /nfs/dbraw/zinc/34/01/64/767340164.db2.gz ATGFCTLZUJPBRO-FZKCQIBNSA-N 1 1 340.427 0.802 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001089825359 767348086 /nfs/dbraw/zinc/34/80/86/767348086.db2.gz BZRWHMHCEHFIPQ-JKQORVJESA-N 1 1 340.427 0.586 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CS(=O)(=O)C1 ZINC001089829364 767367473 /nfs/dbraw/zinc/36/74/73/767367473.db2.gz XWYCDKIVGPDUSS-JONQDZQNSA-N 1 1 336.457 0.223 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nnnn3CC1)CO2 ZINC001053932046 767393277 /nfs/dbraw/zinc/39/32/77/767393277.db2.gz JWXVWTPWJGAYEM-ZIAGYGMSSA-N 1 1 346.435 0.161 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(CC)n1 ZINC001106154104 767405002 /nfs/dbraw/zinc/40/50/02/767405002.db2.gz FFVLZFAJAONXOC-HOTGVXAUSA-N 1 1 345.447 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(CC)n1 ZINC001106154104 767405005 /nfs/dbraw/zinc/40/50/05/767405005.db2.gz FFVLZFAJAONXOC-HOTGVXAUSA-N 1 1 345.447 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc2ccccc2o1 ZINC001106154555 767405540 /nfs/dbraw/zinc/40/55/40/767405540.db2.gz LFHSBXNDJYWHQX-HIFRSBDPSA-N 1 1 342.399 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc2ccccc2o1 ZINC001106154555 767405545 /nfs/dbraw/zinc/40/55/45/767405545.db2.gz LFHSBXNDJYWHQX-HIFRSBDPSA-N 1 1 342.399 0.814 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001106154545 767406064 /nfs/dbraw/zinc/40/60/64/767406064.db2.gz KXALUJGEJZEUFB-HNNXBMFYSA-N 1 1 331.420 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001046646827 767415031 /nfs/dbraw/zinc/41/50/31/767415031.db2.gz HDQLYELJXUHMFZ-LZWOXQAQSA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001046646827 767415035 /nfs/dbraw/zinc/41/50/35/767415035.db2.gz HDQLYELJXUHMFZ-LZWOXQAQSA-N 1 1 338.415 0.753 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC(C)CC1)CO2 ZINC001053949065 767430595 /nfs/dbraw/zinc/43/05/95/767430595.db2.gz XCOLUILSBASGTJ-HNNXBMFYSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)C1=O ZINC001031858359 767449396 /nfs/dbraw/zinc/44/93/96/767449396.db2.gz WMNQJYMNIAEPAB-MWDXBVQZSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CCC[C@@H]3C)C2)CCC1 ZINC001046672002 767452197 /nfs/dbraw/zinc/45/21/97/767452197.db2.gz OZAZPAJDAMOSDV-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046672434 767454740 /nfs/dbraw/zinc/45/47/40/767454740.db2.gz VQSPAJUPOKQOKO-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106169146 767476835 /nfs/dbraw/zinc/47/68/35/767476835.db2.gz AWHBUEAWVXBHRM-DLBZAZTESA-N 1 1 345.447 0.963 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046685153 767480303 /nfs/dbraw/zinc/48/03/03/767480303.db2.gz PMSSIACRUJELOT-GJZGRUSLSA-N 1 1 335.448 0.067 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001046686698 767483114 /nfs/dbraw/zinc/48/31/14/767483114.db2.gz AAVRSABVMZPHLL-SUMWQHHRSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001046686698 767483125 /nfs/dbraw/zinc/48/31/25/767483125.db2.gz AAVRSABVMZPHLL-SUMWQHHRSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cncn3C)C2)nn1 ZINC001046687159 767485134 /nfs/dbraw/zinc/48/51/34/767485134.db2.gz VCDKMIDEUJKALU-MRXNPFEDSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cncn3C)C2)nn1 ZINC001046687159 767485137 /nfs/dbraw/zinc/48/51/37/767485137.db2.gz VCDKMIDEUJKALU-MRXNPFEDSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)nn1 ZINC001046689543 767485938 /nfs/dbraw/zinc/48/59/38/767485938.db2.gz NETIVDJCKRQVFX-QGZVFWFLSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001046689543 767485943 /nfs/dbraw/zinc/48/59/43/767485943.db2.gz NETIVDJCKRQVFX-QGZVFWFLSA-N 1 1 346.435 0.281 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)nc1 ZINC001053985673 767535341 /nfs/dbraw/zinc/53/53/41/767535341.db2.gz WFUAHGUZWBNEDC-JKSUJKDBSA-N 1 1 341.411 0.673 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)CO2 ZINC001053987107 767538598 /nfs/dbraw/zinc/53/85/98/767538598.db2.gz HGBOAPAWXOYREP-CVEARBPZSA-N 1 1 335.448 0.923 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001054035508 767635402 /nfs/dbraw/zinc/63/54/02/767635402.db2.gz OTFMSMCHSCIJCM-IAGOWNOFSA-N 1 1 325.412 0.831 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001054035508 767635406 /nfs/dbraw/zinc/63/54/06/767635406.db2.gz OTFMSMCHSCIJCM-IAGOWNOFSA-N 1 1 325.412 0.831 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COCCN1C ZINC001054037363 767636375 /nfs/dbraw/zinc/63/63/75/767636375.db2.gz DBGMQJXEVKVUTD-MOPGFXCFSA-N 1 1 341.455 0.883 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COCCN1C ZINC001054037363 767636379 /nfs/dbraw/zinc/63/63/79/767636379.db2.gz DBGMQJXEVKVUTD-MOPGFXCFSA-N 1 1 341.455 0.883 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001054052026 767651032 /nfs/dbraw/zinc/65/10/32/767651032.db2.gz NGYBSCIQKAICTP-HZPDHXFCSA-N 1 1 326.400 0.234 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001054051246 767651386 /nfs/dbraw/zinc/65/13/86/767651386.db2.gz YPSPCIBDBINCPX-MRXNPFEDSA-N 1 1 336.395 0.950 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001060476415 767686633 /nfs/dbraw/zinc/68/66/33/767686633.db2.gz LXMYSNBYUZXYBW-BZRJDHSHSA-N 1 1 340.431 0.405 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001054102533 767691419 /nfs/dbraw/zinc/69/14/19/767691419.db2.gz OFSGXMFZTGPKBP-MAUKXSAKSA-N 1 1 348.447 0.319 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017199779 767717158 /nfs/dbraw/zinc/71/71/58/767717158.db2.gz LMBLQOQQVYIHMJ-ZDUSSCGKSA-N 1 1 332.379 0.853 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)N1C(=O)CCC1=O)C2 ZINC001054141742 767736184 /nfs/dbraw/zinc/73/61/84/767736184.db2.gz OQTLPIZZRYYWTQ-RDTXWAMCSA-N 1 1 331.416 0.472 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ccc(=O)n(C)c1=O)C2 ZINC001054141737 767736336 /nfs/dbraw/zinc/73/63/36/767736336.db2.gz OOLFDAMJYUEIPB-GOSISDBHSA-N 1 1 346.431 0.048 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001054147375 767742594 /nfs/dbraw/zinc/74/25/94/767742594.db2.gz PPUUWJLZMORSMW-HKUYNNGSSA-N 1 1 333.476 0.781 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC(=O)NC)C2)C1 ZINC001054147098 767742693 /nfs/dbraw/zinc/74/26/93/767742693.db2.gz JURDRBQKKXLSDV-LPHOPBHVSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1nc3ncc(C)cn3n1)C2 ZINC001054150520 767746043 /nfs/dbraw/zinc/74/60/43/767746043.db2.gz KMQHYQKKOLBDMY-SFHVURJKSA-N 1 1 338.415 0.994 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3nnn(C)c3C1)C2 ZINC001054184276 767781641 /nfs/dbraw/zinc/78/16/41/767781641.db2.gz BYMFKEYXTXFGPQ-HNAYVOBHSA-N 1 1 341.459 0.868 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@]3(CC[N@H+](C[C@H](C)O)C3)C2)nn1 ZINC001054210128 767807174 /nfs/dbraw/zinc/80/71/74/767807174.db2.gz GPNBOJBJMBXXRF-WMLDXEAASA-N 1 1 333.436 0.773 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C2 ZINC001054211382 767808358 /nfs/dbraw/zinc/80/83/58/767808358.db2.gz OJAXBHZYEMARIV-GOEBONIOSA-N 1 1 341.477 0.521 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001054211231 767808772 /nfs/dbraw/zinc/80/87/72/767808772.db2.gz JASFPZRGPWEAJE-QILLFSRXSA-N 1 1 335.448 0.767 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)[C@@H](O)C1 ZINC001083717553 767812263 /nfs/dbraw/zinc/81/22/63/767812263.db2.gz CBJVHPRECPEDMO-KFWWJZLASA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)[C@@H](O)C1 ZINC001083717553 767812271 /nfs/dbraw/zinc/81/22/71/767812271.db2.gz CBJVHPRECPEDMO-KFWWJZLASA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccnc3nc(C)nn31)C2 ZINC001054225893 767832770 /nfs/dbraw/zinc/83/27/70/767832770.db2.gz CUYDFENEYCBWFC-GOSISDBHSA-N 1 1 338.415 0.994 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)cn1 ZINC001054230310 767839238 /nfs/dbraw/zinc/83/92/38/767839238.db2.gz RBSUDCWYPRLRLS-AUUYWEPGSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001054237031 767846581 /nfs/dbraw/zinc/84/65/81/767846581.db2.gz QWBYSQLEAYKAGD-KBXCAEBGSA-N 1 1 346.431 0.312 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)C1 ZINC001055064439 768552394 /nfs/dbraw/zinc/55/23/94/768552394.db2.gz OMSOGXITCIXFJU-UKMLZYKCSA-N 1 1 340.431 0.916 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)[C@@H](O)C1 ZINC001083734009 768573521 /nfs/dbraw/zinc/57/35/21/768573521.db2.gz NSBJJNUWNZNTRO-MJBXVCDLSA-N 1 1 329.391 0.148 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)[C@@H](O)C1 ZINC001083734009 768573525 /nfs/dbraw/zinc/57/35/25/768573525.db2.gz NSBJJNUWNZNTRO-MJBXVCDLSA-N 1 1 329.391 0.148 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)C1 ZINC001055196879 768658347 /nfs/dbraw/zinc/65/83/47/768658347.db2.gz IVQHIKVVCCDQNB-FQLMCAECSA-N 1 1 340.431 0.916 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(n2cnnn2)CCOCC1 ZINC001018048498 768658919 /nfs/dbraw/zinc/65/89/19/768658919.db2.gz IMDRTFYGRDPAJM-GASCZTMLSA-N 1 1 346.435 0.430 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)CC[N@H+]1C ZINC001055224887 768683230 /nfs/dbraw/zinc/68/32/30/768683230.db2.gz XLCAFVAUQZKTKK-XJBGLIRHSA-N 1 1 340.431 0.914 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001055238903 768695202 /nfs/dbraw/zinc/69/52/02/768695202.db2.gz ZEDXLFBYFITYED-BBWFWOEESA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001055238903 768695208 /nfs/dbraw/zinc/69/52/08/768695208.db2.gz ZEDXLFBYFITYED-BBWFWOEESA-N 1 1 349.475 0.979 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001055312762 768768018 /nfs/dbraw/zinc/76/80/18/768768018.db2.gz SAEYTZHYJRBNGT-IYBDPMFKSA-N 1 1 328.416 0.912 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCOCCOC)C2)nn1 ZINC001098790561 768770476 /nfs/dbraw/zinc/77/04/76/768770476.db2.gz VPILEVKDZLMKMP-HNNXBMFYSA-N 1 1 337.424 0.380 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001055337497 768792690 /nfs/dbraw/zinc/79/26/90/768792690.db2.gz GXLMUOKICUSKQP-IXDOHACOSA-N 1 1 347.459 0.427 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993344751 768818237 /nfs/dbraw/zinc/81/82/37/768818237.db2.gz DGWHHDCRBWJQLF-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001055379877 768837890 /nfs/dbraw/zinc/83/78/90/768837890.db2.gz XFQCGHKOFRHFGZ-VVLHAWIVSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001106750213 768856201 /nfs/dbraw/zinc/85/62/01/768856201.db2.gz STLKLFWQHNEGAI-RRFJBIMHSA-N 1 1 347.463 0.575 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]21 ZINC001042063459 782702490 /nfs/dbraw/zinc/70/24/90/782702490.db2.gz XFRDYMSAEPIVIJ-ZIAGYGMSSA-N 1 1 333.432 0.880 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001018213969 768898779 /nfs/dbraw/zinc/89/87/79/768898779.db2.gz NOMAWXCJZNFKTM-IJEWVQPXSA-N 1 1 341.477 0.710 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN(CCNC(C)=O)CC2)CC1 ZINC001055483834 768912025 /nfs/dbraw/zinc/91/20/25/768912025.db2.gz SEMFARBXRUDKAF-UHFFFAOYSA-N 1 1 334.464 0.048 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001106773168 768912822 /nfs/dbraw/zinc/91/28/22/768912822.db2.gz JYJCBOGPHIMUEK-CQSZACIVSA-N 1 1 332.408 0.329 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001106773168 768912828 /nfs/dbraw/zinc/91/28/28/768912828.db2.gz JYJCBOGPHIMUEK-CQSZACIVSA-N 1 1 332.408 0.329 20 30 ECEDMO C=CCOCC(=O)NC1CC[NH+](CCNC(=O)C(C)(C)F)CC1 ZINC001055491648 768931310 /nfs/dbraw/zinc/93/13/10/768931310.db2.gz UPIFNUBRAYJJHT-UHFFFAOYSA-N 1 1 329.416 0.634 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1NC(=O)NC1=O ZINC001018246375 768956578 /nfs/dbraw/zinc/95/65/78/768956578.db2.gz NPTIEXBIZDPSPB-HZSPNIEDSA-N 1 1 334.420 0.616 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CN(C)C1=O ZINC001018247635 768958642 /nfs/dbraw/zinc/95/86/42/768958642.db2.gz SDGQFDOXUPMPOR-OKILXGFUSA-N 1 1 334.420 0.522 20 30 ECEDMO Cc1cnc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)cn1 ZINC001055507075 768966911 /nfs/dbraw/zinc/96/69/11/768966911.db2.gz PQRLCHGFMJXELY-LBPRGKRZSA-N 1 1 344.419 0.255 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055539488 769056704 /nfs/dbraw/zinc/05/67/04/769056704.db2.gz YMLPBFCEXOGZNF-OAHLLOKOSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055539488 769056712 /nfs/dbraw/zinc/05/67/12/769056712.db2.gz YMLPBFCEXOGZNF-OAHLLOKOSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055542438 769065724 /nfs/dbraw/zinc/06/57/24/769065724.db2.gz AFHSVEPVGUOERK-MRXNPFEDSA-N 1 1 336.480 0.744 20 30 ECEDMO Cc1ncoc1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055555734 769106103 /nfs/dbraw/zinc/10/61/03/769106103.db2.gz ZANAKUGRPAILSP-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cn[nH]c3)C2)CC1 ZINC001018358340 769184706 /nfs/dbraw/zinc/18/47/06/769184706.db2.gz OMRAIIXWGNAKCR-HNNXBMFYSA-N 1 1 345.447 0.982 20 30 ECEDMO C=CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001018362274 769197841 /nfs/dbraw/zinc/19/78/41/769197841.db2.gz DZLKOISWYYGDFI-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC001018362582 769198777 /nfs/dbraw/zinc/19/87/77/769198777.db2.gz GEEABNWUBAJBQH-CABCVRRESA-N 1 1 338.427 0.888 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC001018362584 769199641 /nfs/dbraw/zinc/19/96/41/769199641.db2.gz GEEABNWUBAJBQH-HUUCEWRRSA-N 1 1 338.427 0.888 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055606212 769240450 /nfs/dbraw/zinc/24/04/50/769240450.db2.gz BZGZIPXMLUTUFB-AWEZNQCLSA-N 1 1 337.468 0.185 20 30 ECEDMO CCC[N@H+](C)CC(=O)NCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055606212 769240459 /nfs/dbraw/zinc/24/04/59/769240459.db2.gz BZGZIPXMLUTUFB-AWEZNQCLSA-N 1 1 337.468 0.185 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055606212 769240461 /nfs/dbraw/zinc/24/04/61/769240461.db2.gz BZGZIPXMLUTUFB-AWEZNQCLSA-N 1 1 337.468 0.185 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCCN1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055606762 769242355 /nfs/dbraw/zinc/24/23/55/769242355.db2.gz KZCQMZMJNPREEM-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO C=C1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000993571580 769268850 /nfs/dbraw/zinc/26/88/50/769268850.db2.gz TYXMGTYNKIGPIP-SJORKVTESA-N 1 1 347.459 0.923 20 30 ECEDMO Cc1nc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)cs1 ZINC001055621843 769274067 /nfs/dbraw/zinc/27/40/67/769274067.db2.gz MESKPQASTOHQFO-LLVKDONJSA-N 1 1 349.460 0.922 20 30 ECEDMO C=CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622715 769282160 /nfs/dbraw/zinc/28/21/60/769282160.db2.gz WVVQMNFQTOCCEP-UHFFFAOYSA-N 1 1 335.408 0.736 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2cccnn2)CC1 ZINC001055623830 769284370 /nfs/dbraw/zinc/28/43/70/769284370.db2.gz PSWGBSSYISLMMO-UHFFFAOYSA-N 1 1 341.415 0.200 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2cnsn2)CC1 ZINC001055629868 769298228 /nfs/dbraw/zinc/29/82/28/769298228.db2.gz MOPGMVMBLWRNIM-JTQLQIEISA-N 1 1 336.421 0.008 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC000993584624 769300908 /nfs/dbraw/zinc/30/09/08/769300908.db2.gz AYPYDLBBSLFYTP-HUUCEWRRSA-N 1 1 341.477 0.404 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC000993584569 769301209 /nfs/dbraw/zinc/30/12/09/769301209.db2.gz AILUKQQZUFEBSW-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO CC(C)[N@H+](C)CC(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1 ZINC001055630919 769301714 /nfs/dbraw/zinc/30/17/14/769301714.db2.gz AHKHQUMPEATLFY-CQSZACIVSA-N 1 1 337.468 0.183 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1 ZINC001055630919 769301722 /nfs/dbraw/zinc/30/17/22/769301722.db2.gz AHKHQUMPEATLFY-CQSZACIVSA-N 1 1 337.468 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H]1C ZINC000993620493 769371363 /nfs/dbraw/zinc/37/13/63/769371363.db2.gz JCAWEGUEDPHQRT-QWHCGFSZSA-N 1 1 327.388 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H]1C ZINC000993620493 769371374 /nfs/dbraw/zinc/37/13/74/769371374.db2.gz JCAWEGUEDPHQRT-QWHCGFSZSA-N 1 1 327.388 0.547 20 30 ECEDMO Cc1cc(N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001055750639 769596383 /nfs/dbraw/zinc/59/63/83/769596383.db2.gz BLTMMOMSVGGMHD-INIZCTEOSA-N 1 1 329.404 0.241 20 30 ECEDMO Cc1cc(N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001055750639 769596389 /nfs/dbraw/zinc/59/63/89/769596389.db2.gz BLTMMOMSVGGMHD-INIZCTEOSA-N 1 1 329.404 0.241 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)[C@H]2C)c1 ZINC000993774049 769599389 /nfs/dbraw/zinc/59/93/89/769599389.db2.gz SNQPUJIMQGQACV-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@H]2C)c1 ZINC000993774049 769599395 /nfs/dbraw/zinc/59/93/95/769599395.db2.gz SNQPUJIMQGQACV-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnc3n2CCCC3)C1 ZINC001078357852 782766170 /nfs/dbraw/zinc/76/61/70/782766170.db2.gz CYLKQEGHBJPSRC-ZIAGYGMSSA-N 1 1 346.435 0.481 20 30 ECEDMO CCn1c(C)nnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001018683044 769756375 /nfs/dbraw/zinc/75/63/75/769756375.db2.gz WCJJTQGCMSLNEJ-ZDUSSCGKSA-N 1 1 327.392 0.811 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001018730942 769820531 /nfs/dbraw/zinc/82/05/31/769820531.db2.gz KLGZKNXOSGENAR-LBPRGKRZSA-N 1 1 342.407 0.632 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)[nH]1 ZINC001018731138 769821016 /nfs/dbraw/zinc/82/10/16/769821016.db2.gz OBMUEZVQTBVDTI-NSHDSACASA-N 1 1 349.345 0.747 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)C[C@@H]21 ZINC001042107634 782785106 /nfs/dbraw/zinc/78/51/06/782785106.db2.gz BYVRHPWOPVYNLQ-CABCVRRESA-N 1 1 338.415 0.992 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055838813 769923100 /nfs/dbraw/zinc/92/31/00/769923100.db2.gz VXRLBZDJVDUXLO-VQIMIIECSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCn3cccn3)[C@@H]2C)nn1 ZINC000993950219 769932616 /nfs/dbraw/zinc/93/26/16/769932616.db2.gz LQJHAFJDKIGSTR-CABCVRRESA-N 1 1 343.435 0.944 20 30 ECEDMO Cc1nc(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)ccc1C#N ZINC001055851312 769970818 /nfs/dbraw/zinc/97/08/18/769970818.db2.gz VOTDOCTYMHIWKG-UHFFFAOYSA-N 1 1 343.431 0.633 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001042113310 782794240 /nfs/dbraw/zinc/79/42/40/782794240.db2.gz XWJMRXIAGOTXAJ-HUUCEWRRSA-N 1 1 328.416 0.946 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001042116001 782797339 /nfs/dbraw/zinc/79/73/39/782797339.db2.gz FILOUHYOCYEOOZ-RDJZCZTQSA-N 1 1 340.427 0.669 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C[C@H]21 ZINC001042122029 782806637 /nfs/dbraw/zinc/80/66/37/782806637.db2.gz LCVMZRLPOLQBBM-BXUZGUMPSA-N 1 1 325.372 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001042122462 782807954 /nfs/dbraw/zinc/80/79/54/782807954.db2.gz FEPRJBNOBXPOHK-HVHJFMEUSA-N 1 1 347.459 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001042122462 782807961 /nfs/dbraw/zinc/80/79/61/782807961.db2.gz FEPRJBNOBXPOHK-HVHJFMEUSA-N 1 1 347.459 0.376 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 ZINC001042123779 782809761 /nfs/dbraw/zinc/80/97/61/782809761.db2.gz VEIBUGQCMQJMEY-LSDHHAIUSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3cocn3)C2)C1 ZINC001018874972 770160152 /nfs/dbraw/zinc/16/01/52/770160152.db2.gz NOWVPQHQQWGWQG-HNNXBMFYSA-N 1 1 342.399 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3cocn3)C2)C1 ZINC001018874972 770160158 /nfs/dbraw/zinc/16/01/58/770160158.db2.gz NOWVPQHQQWGWQG-HNNXBMFYSA-N 1 1 342.399 0.447 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001055910153 770178250 /nfs/dbraw/zinc/17/82/50/770178250.db2.gz ICHSJILTVUVABF-QFBILLFUSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055910370 770179021 /nfs/dbraw/zinc/17/90/21/770179021.db2.gz MYBWNJMAPBVDOJ-MAUKXSAKSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccn2CC=C)C1 ZINC000994207410 770304486 /nfs/dbraw/zinc/30/44/86/770304486.db2.gz SVAQDIOLKKYPTG-KRWDZBQOSA-N 1 1 340.427 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccn2CC=C)C1 ZINC000994207410 770304492 /nfs/dbraw/zinc/30/44/92/770304492.db2.gz SVAQDIOLKKYPTG-KRWDZBQOSA-N 1 1 340.427 0.712 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C ZINC000994212616 770317912 /nfs/dbraw/zinc/31/79/12/770317912.db2.gz QFIAJAZRJORFPA-RYUDHWBXSA-N 1 1 330.392 0.576 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H]1C ZINC000994214573 770319241 /nfs/dbraw/zinc/31/92/41/770319241.db2.gz UWVSTGVKBJMFJX-KBPBESRZSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3-n3cnnn3)C[C@H]21 ZINC001042134225 782829429 /nfs/dbraw/zinc/82/94/29/782829429.db2.gz NKLGCAQKEUQQAI-TZMCWYRMSA-N 1 1 342.428 0.893 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001056019738 770572942 /nfs/dbraw/zinc/57/29/42/770572942.db2.gz OUXOOFGYPSPMMD-APWZRJJASA-N 1 1 349.475 0.457 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C ZINC000994328846 770624010 /nfs/dbraw/zinc/62/40/10/770624010.db2.gz OMWMFZVAEDFFRM-HIFRSBDPSA-N 1 1 335.452 0.826 20 30 ECEDMO CC1(C)C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001089364967 770666380 /nfs/dbraw/zinc/66/63/80/770666380.db2.gz JHDQHEIMSRGJQH-HIFRSBDPSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001056121716 770871760 /nfs/dbraw/zinc/87/17/60/770871760.db2.gz BTBXHOQHRKCSTA-KRWDZBQOSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001056124865 770885791 /nfs/dbraw/zinc/88/57/91/770885791.db2.gz QYHREUGKGASESC-CRAIPNDOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)CC1 ZINC001083754336 770907357 /nfs/dbraw/zinc/90/73/57/770907357.db2.gz LVLXBJRVIHHWNC-SJORKVTESA-N 1 1 332.448 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](F)CC)C2 ZINC001019144264 770917325 /nfs/dbraw/zinc/91/73/25/770917325.db2.gz GVQXXVRZLVECAL-GJZGRUSLSA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](F)CC)C2 ZINC001019144264 770917331 /nfs/dbraw/zinc/91/73/31/770917331.db2.gz GVQXXVRZLVECAL-GJZGRUSLSA-N 1 1 335.423 0.893 20 30 ECEDMO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)c(C#N)cn1 ZINC001056223169 771016810 /nfs/dbraw/zinc/01/68/10/771016810.db2.gz BCTKTFCQQMMLGR-UTXMOHQDSA-N 1 1 325.416 0.764 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)cc1 ZINC001019224412 771024237 /nfs/dbraw/zinc/02/42/37/771024237.db2.gz PMFRGPAUAJEJAL-HNNXBMFYSA-N 1 1 336.399 0.994 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001056232223 771024396 /nfs/dbraw/zinc/02/43/96/771024396.db2.gz ITOPDCDKHCDOFO-VVLHAWIVSA-N 1 1 341.415 0.225 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001056232223 771024402 /nfs/dbraw/zinc/02/44/02/771024402.db2.gz ITOPDCDKHCDOFO-VVLHAWIVSA-N 1 1 341.415 0.225 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN([C@@H](C)c3n[nH]c(C)n3)C2)CC1 ZINC001031435338 771070178 /nfs/dbraw/zinc/07/01/78/771070178.db2.gz XXPWHDSJWWGPKT-LBPRGKRZSA-N 1 1 330.436 0.320 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)CC(C)(C)C1 ZINC001089408782 771089358 /nfs/dbraw/zinc/08/93/58/771089358.db2.gz HLUPIHMHFQDACO-GJZGRUSLSA-N 1 1 334.464 0.176 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056305166 771097982 /nfs/dbraw/zinc/09/79/82/771097982.db2.gz BKUAYPMOXQTBKS-BZUAXINKSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1C ZINC001056313353 771109734 /nfs/dbraw/zinc/10/97/34/771109734.db2.gz ACCNPIOAXCACKS-JKSUJKDBSA-N 1 1 346.431 0.986 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001056314680 771110977 /nfs/dbraw/zinc/11/09/77/771110977.db2.gz RCVSXZJFZFWCLB-BZUAXINKSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3C(N)=O)C[C@@H]21 ZINC001042179439 782898022 /nfs/dbraw/zinc/89/80/22/782898022.db2.gz LZSHUWZDLDAEFG-YOEHRIQHSA-N 1 1 325.412 0.884 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001019364941 771208460 /nfs/dbraw/zinc/20/84/60/771208460.db2.gz PMXGPUGNESOIDS-ILXRZTDVSA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001019366914 771212158 /nfs/dbraw/zinc/21/21/58/771212158.db2.gz LVPUDJWRAWMKPU-UONOGXRCSA-N 1 1 341.415 0.981 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)CC(C)(C)C1 ZINC001089456729 771224406 /nfs/dbraw/zinc/22/44/06/771224406.db2.gz LXBWYAOZTPQMCN-HNNXBMFYSA-N 1 1 334.464 0.048 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C[N@H+](C)C(C)C ZINC001056401262 771225923 /nfs/dbraw/zinc/22/59/23/771225923.db2.gz CTTKOFDIGZPRDD-ZACQAIPSSA-N 1 1 349.475 0.957 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001056407106 771235816 /nfs/dbraw/zinc/23/58/16/771235816.db2.gz MDUXNVWOUCRTKR-ANRZDRKOSA-N 1 1 325.416 0.846 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001056413487 771245861 /nfs/dbraw/zinc/24/58/61/771245861.db2.gz RWYMZHGCCMTDJU-MKVSYHDVSA-N 1 1 340.431 0.692 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC3(C2)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C3)C1 ZINC001019410855 771262509 /nfs/dbraw/zinc/26/25/09/771262509.db2.gz LYXHXNAUNZDDCS-OAHLLOKOSA-N 1 1 347.459 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC3(C2)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C3)C1 ZINC001019410855 771262510 /nfs/dbraw/zinc/26/25/10/771262510.db2.gz LYXHXNAUNZDDCS-OAHLLOKOSA-N 1 1 347.459 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C3)C1 ZINC001019410854 771262566 /nfs/dbraw/zinc/26/25/66/771262566.db2.gz LYXHXNAUNZDDCS-HNNXBMFYSA-N 1 1 347.459 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C3)C1 ZINC001019410854 771262569 /nfs/dbraw/zinc/26/25/69/771262569.db2.gz LYXHXNAUNZDDCS-HNNXBMFYSA-N 1 1 347.459 0.734 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127472487 771300815 /nfs/dbraw/zinc/30/08/15/771300815.db2.gz NJDDDRYSXHAJPV-DZGCQCFKSA-N 1 1 346.435 0.433 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001056472844 771311572 /nfs/dbraw/zinc/31/15/72/771311572.db2.gz WZBCXAAKCWALHT-JKSUJKDBSA-N 1 1 346.431 0.986 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnns3)C2)nn1 ZINC001019493620 771358422 /nfs/dbraw/zinc/35/84/22/771358422.db2.gz GLPXMVGEOSURKS-NSHDSACASA-N 1 1 333.421 0.710 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cncc(C)c3)C2)C1=O ZINC001031593860 771364940 /nfs/dbraw/zinc/36/49/40/771364940.db2.gz LGEVBIHZERTNSF-INIZCTEOSA-N 1 1 328.416 0.839 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3oc(C)nc3C)C2)C1=O ZINC001031595313 771366174 /nfs/dbraw/zinc/36/61/74/771366174.db2.gz UNZAEWFNOCECDP-CQSZACIVSA-N 1 1 332.404 0.740 20 30 ECEDMO Cc1cc(N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001056599872 771419961 /nfs/dbraw/zinc/41/99/61/771419961.db2.gz RWAKQNSGJNSEQA-GDBMZVCRSA-N 1 1 329.404 0.027 20 30 ECEDMO Cc1cc(N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001056599872 771419965 /nfs/dbraw/zinc/41/99/65/771419965.db2.gz RWAKQNSGJNSEQA-GDBMZVCRSA-N 1 1 329.404 0.027 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001056630370 771449064 /nfs/dbraw/zinc/44/90/64/771449064.db2.gz BYPXKNPDNDVQHK-HRCADAONSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001056666595 771489637 /nfs/dbraw/zinc/48/96/37/771489637.db2.gz UQOHRVUULRUFJI-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)CC(C)(C)C1 ZINC001089560448 771490018 /nfs/dbraw/zinc/49/00/18/771490018.db2.gz YNKNWUAWIOJVEM-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)no1 ZINC001056727277 771562109 /nfs/dbraw/zinc/56/21/09/771562109.db2.gz SQXVGPFAOPZBCS-LLVKDONJSA-N 1 1 341.375 0.724 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@@H]21 ZINC001042234529 782964196 /nfs/dbraw/zinc/96/41/96/782964196.db2.gz MVDCTRYIZCJZMT-ZBFHGGJFSA-N 1 1 342.443 0.693 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3nccnc3C#N)C2)C1 ZINC001057029974 771967431 /nfs/dbraw/zinc/96/74/31/771967431.db2.gz WJKUZZRDJOBZBV-UONOGXRCSA-N 1 1 328.420 0.727 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C3CC3)C2)c1 ZINC001020057745 772114164 /nfs/dbraw/zinc/11/41/64/772114164.db2.gz IFRYCLOZTOZWCS-XYPYZODXSA-N 1 1 326.364 0.258 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001020088208 772144029 /nfs/dbraw/zinc/14/40/29/772144029.db2.gz DUJHLNLBTRFSLB-HAQNSBGRSA-N 1 1 342.407 0.678 20 30 ECEDMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C1CC1 ZINC001020091450 772148554 /nfs/dbraw/zinc/14/85/54/772148554.db2.gz VCFKEXIRMATUSD-YUSALJHKSA-N 1 1 340.391 0.819 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057146803 772165452 /nfs/dbraw/zinc/16/54/52/772165452.db2.gz PDCBGSWLVXPDOH-AWEZNQCLSA-N 1 1 344.419 0.108 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057146803 772165454 /nfs/dbraw/zinc/16/54/54/772165454.db2.gz PDCBGSWLVXPDOH-AWEZNQCLSA-N 1 1 344.419 0.108 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cocn2)[C@H]1C ZINC001020122244 772184152 /nfs/dbraw/zinc/18/41/52/772184152.db2.gz WGYKWIPNOQGGNA-YDHLFZDLSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cocn2)[C@H]1C ZINC001020122244 772184155 /nfs/dbraw/zinc/18/41/55/772184155.db2.gz WGYKWIPNOQGGNA-YDHLFZDLSA-N 1 1 330.388 0.491 20 30 ECEDMO N#Cc1nccc(N2CCCN(C(=O)CC[NH+]3CCOCC3)CC2)n1 ZINC001057156054 772184495 /nfs/dbraw/zinc/18/44/95/772184495.db2.gz JJZXHTXORROIBY-UHFFFAOYSA-N 1 1 344.419 0.109 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001020167914 772237649 /nfs/dbraw/zinc/23/76/49/772237649.db2.gz LITDEZAFEXEEDT-GBOPCIDUSA-N 1 1 346.435 0.726 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057212283 772286606 /nfs/dbraw/zinc/28/66/06/772286606.db2.gz VQNBINJUKQEZNK-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCCN(c3cnc(C#N)cn3)CC2)CC[N@H+]1C ZINC001057248352 772338388 /nfs/dbraw/zinc/33/83/88/772338388.db2.gz IZYCRMOWYWSQMU-UKRRQHHQSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nc(CCC)no2)C1 ZINC001020250436 772349789 /nfs/dbraw/zinc/34/97/89/772349789.db2.gz FURKTUQWBSIWFE-KKUMJFAQSA-N 1 1 345.447 0.857 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nc(CCC)no2)C1 ZINC001020250436 772349795 /nfs/dbraw/zinc/34/97/95/772349795.db2.gz FURKTUQWBSIWFE-KKUMJFAQSA-N 1 1 345.447 0.857 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(c3nccnc3C#N)CC2)O1 ZINC001057254764 772350880 /nfs/dbraw/zinc/35/08/80/772350880.db2.gz DOODEVHFNCATFO-UKRRQHHQSA-N 1 1 344.419 0.106 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(c3nccnc3C#N)CC2)O1 ZINC001057254764 772350885 /nfs/dbraw/zinc/35/08/85/772350885.db2.gz DOODEVHFNCATFO-UKRRQHHQSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nc(C3CC3)no2)C1 ZINC001020250752 772351773 /nfs/dbraw/zinc/35/17/73/772351773.db2.gz OWWDSKBSEZIIQF-KKUMJFAQSA-N 1 1 343.431 0.781 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nc(C3CC3)no2)C1 ZINC001020250752 772351778 /nfs/dbraw/zinc/35/17/78/772351778.db2.gz OWWDSKBSEZIIQF-KKUMJFAQSA-N 1 1 343.431 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001078471695 783014613 /nfs/dbraw/zinc/01/46/13/783014613.db2.gz BFASJWFPEZZEKE-XHSDSOJGSA-N 1 1 349.435 0.113 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001078476000 783024105 /nfs/dbraw/zinc/02/41/05/783024105.db2.gz GJYILDQEDPDDGI-DZGCQCFKSA-N 1 1 348.447 0.968 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057445561 772622722 /nfs/dbraw/zinc/62/27/22/772622722.db2.gz ZLZNKKWDPCRLFH-SJORKVTESA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057599022 772795200 /nfs/dbraw/zinc/79/52/00/772795200.db2.gz OHYJCBQNRLGACE-IAGOWNOFSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001057601415 772799069 /nfs/dbraw/zinc/79/90/69/772799069.db2.gz MVVPPHQGOVGRKB-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001057601821 772799522 /nfs/dbraw/zinc/79/95/22/772799522.db2.gz UPKJGAYQELUADC-UHFFFAOYSA-N 1 1 327.469 0.866 20 30 ECEDMO C=CCn1cccc1C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057636029 772842948 /nfs/dbraw/zinc/84/29/48/772842948.db2.gz LWUYDKHDBKUYKO-HNNXBMFYSA-N 1 1 348.447 0.177 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057644097 772856620 /nfs/dbraw/zinc/85/66/20/772856620.db2.gz YKVAVNOSWNBBDA-CQSZACIVSA-N 1 1 336.436 0.731 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057644096 772856629 /nfs/dbraw/zinc/85/66/29/772856629.db2.gz YKVAVNOSWNBBDA-AWEZNQCLSA-N 1 1 336.436 0.731 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001057655343 772871293 /nfs/dbraw/zinc/87/12/93/772871293.db2.gz NXYXPVHERCYHPM-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001057655343 772871296 /nfs/dbraw/zinc/87/12/96/772871296.db2.gz NXYXPVHERCYHPM-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001057656130 772872425 /nfs/dbraw/zinc/87/24/25/772872425.db2.gz YEUAJSNQWYASRF-DOTOQJQBSA-N 1 1 343.431 0.499 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001057656130 772872427 /nfs/dbraw/zinc/87/24/27/772872427.db2.gz YEUAJSNQWYASRF-DOTOQJQBSA-N 1 1 343.431 0.499 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001057656134 772872663 /nfs/dbraw/zinc/87/26/63/772872663.db2.gz YEUAJSNQWYASRF-RDJZCZTQSA-N 1 1 343.431 0.499 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001057656134 772872667 /nfs/dbraw/zinc/87/26/67/772872667.db2.gz YEUAJSNQWYASRF-RDJZCZTQSA-N 1 1 343.431 0.499 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001057694572 772918482 /nfs/dbraw/zinc/91/84/82/772918482.db2.gz JVYFJFZTQVHMAB-HUUCEWRRSA-N 1 1 339.480 0.724 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057719021 772942547 /nfs/dbraw/zinc/94/25/47/772942547.db2.gz YNLGHJYLQYZKCT-HZPDHXFCSA-N 1 1 337.464 0.907 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H](Nc2cnc(C#N)cn2)C1 ZINC001057719430 772943137 /nfs/dbraw/zinc/94/31/37/772943137.db2.gz KWFZGTVFZFKGQQ-ZDUSSCGKSA-N 1 1 325.376 0.956 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001057757788 772967119 /nfs/dbraw/zinc/96/71/19/772967119.db2.gz VJJQUCCWMIICNK-UONOGXRCSA-N 1 1 328.420 0.515 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057812144 773015122 /nfs/dbraw/zinc/01/51/22/773015122.db2.gz VDUXFBDTQIESCN-HIFRSBDPSA-N 1 1 342.447 0.879 20 30 ECEDMO Cc1ccc(C#N)c(N2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001057845420 773063545 /nfs/dbraw/zinc/06/35/45/773063545.db2.gz DOWUTNKZAIWMJN-MRXNPFEDSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1ccc(C#N)c(N2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001057845420 773063548 /nfs/dbraw/zinc/06/35/48/773063548.db2.gz DOWUTNKZAIWMJN-MRXNPFEDSA-N 1 1 343.431 0.677 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057864308 773091901 /nfs/dbraw/zinc/09/19/01/773091901.db2.gz LVGUXVVPIZEMRP-HNNXBMFYSA-N 1 1 327.469 0.866 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)C(C)(C)[N@H+](C)CC ZINC001057942754 773237464 /nfs/dbraw/zinc/23/74/64/773237464.db2.gz TUOJHAUZMFXRJS-UHFFFAOYSA-N 1 1 325.453 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C=C\C(C)(C)C ZINC001057961043 773290712 /nfs/dbraw/zinc/29/07/12/773290712.db2.gz GUMWMPXLHPZHHF-QWGSZXSUSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C=C\C(C)(C)C ZINC001057961043 773290715 /nfs/dbraw/zinc/29/07/15/773290715.db2.gz GUMWMPXLHPZHHF-QWGSZXSUSA-N 1 1 349.475 0.623 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(c2nc(C)cc(C#N)n2)C1 ZINC001058164369 773675226 /nfs/dbraw/zinc/67/52/26/773675226.db2.gz QCFJAZVCVREBIN-AWEZNQCLSA-N 1 1 339.403 0.947 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058265179 773879105 /nfs/dbraw/zinc/87/91/05/773879105.db2.gz AXJFRHLYAADHCG-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cccc(F)c3C#N)C2)C1 ZINC001058317124 773961614 /nfs/dbraw/zinc/96/16/14/773961614.db2.gz PBMUMPUSQCYLIY-MLGOLLRUSA-N 1 1 332.379 0.723 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cccc(F)c3C#N)C2)C1 ZINC001058317124 773961618 /nfs/dbraw/zinc/96/16/18/773961618.db2.gz PBMUMPUSQCYLIY-MLGOLLRUSA-N 1 1 332.379 0.723 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058376692 774061165 /nfs/dbraw/zinc/06/11/65/774061165.db2.gz TXMBPPCAGMOHRU-GDBMZVCRSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058376692 774061171 /nfs/dbraw/zinc/06/11/71/774061171.db2.gz TXMBPPCAGMOHRU-GDBMZVCRSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3nc(C)cc(C#N)n3)C2)C1 ZINC001058376845 774061712 /nfs/dbraw/zinc/06/17/12/774061712.db2.gz XOSMXVRZDXHKDS-HIFRSBDPSA-N 1 1 344.419 0.072 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3nc(C)cc(C#N)n3)C2)C1 ZINC001058376845 774061717 /nfs/dbraw/zinc/06/17/17/774061717.db2.gz XOSMXVRZDXHKDS-HIFRSBDPSA-N 1 1 344.419 0.072 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C/C=C(/C)C=C ZINC001058418597 774144872 /nfs/dbraw/zinc/14/48/72/774144872.db2.gz MYXWKMBMVSRGSX-KZRVJCNKSA-N 1 1 347.459 0.544 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C/C=C(/C)C=C ZINC001058418597 774144876 /nfs/dbraw/zinc/14/48/76/774144876.db2.gz MYXWKMBMVSRGSX-KZRVJCNKSA-N 1 1 347.459 0.544 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)C[N@@H+](C)C(C)C ZINC001058444360 774193444 /nfs/dbraw/zinc/19/34/44/774193444.db2.gz NOYISJLYSOPBDC-UHFFFAOYSA-N 1 1 325.453 0.457 20 30 ECEDMO N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cn1 ZINC001058469343 774245722 /nfs/dbraw/zinc/24/57/22/774245722.db2.gz DUPILOIVOPVPGM-OCCSQVGLSA-N 1 1 337.387 0.817 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001058597794 774512309 /nfs/dbraw/zinc/51/23/09/774512309.db2.gz QIRCOYMXNZGXFY-UKRRQHHQSA-N 1 1 328.420 0.836 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(c1nccnc1C#N)CC2 ZINC001058627178 774566351 /nfs/dbraw/zinc/56/63/51/774566351.db2.gz KNUFZODDOOWRBQ-CABCVRRESA-N 1 1 340.431 0.918 20 30 ECEDMO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001040654151 783192936 /nfs/dbraw/zinc/19/29/36/783192936.db2.gz QDBSSHFGHUHOSB-BXWFABGCSA-N 1 1 349.475 0.600 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001044998331 774814166 /nfs/dbraw/zinc/81/41/66/774814166.db2.gz CDICANBFQKDPBQ-UHFFFAOYSA-N 1 1 337.464 0.600 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1)c1nnnn1C ZINC001044999643 774817208 /nfs/dbraw/zinc/81/72/08/774817208.db2.gz HTLNUSGPPCPDFS-PWSUYJOCSA-N 1 1 328.380 0.365 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)C1 ZINC001040674568 783231505 /nfs/dbraw/zinc/23/15/05/783231505.db2.gz WZWAWXPUNDVVPN-OFQRWUPVSA-N 1 1 340.431 0.727 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001045148220 775055669 /nfs/dbraw/zinc/05/56/69/775055669.db2.gz NBGILVDMRVRDPG-GJZGRUSLSA-N 1 1 349.475 0.763 20 30 ECEDMO Cc1nc(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)ccc1C#N ZINC001043875547 775176590 /nfs/dbraw/zinc/17/65/90/775176590.db2.gz NXVFLYGPOHGZGM-KFWWJZLASA-N 1 1 329.404 0.022 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001043879374 775192787 /nfs/dbraw/zinc/19/27/87/775192787.db2.gz JXOLYSMRDLHPRM-MRXNPFEDSA-N 1 1 348.491 0.648 20 30 ECEDMO Cc1nsc(N2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)c1C#N ZINC001043960601 775406427 /nfs/dbraw/zinc/40/64/27/775406427.db2.gz UNLFFRWVQBTWKX-OLZOCXBDSA-N 1 1 346.416 0.194 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(c3ncc(C#N)cc3Cl)C[C@@H]2O)C1 ZINC001043966662 775421049 /nfs/dbraw/zinc/42/10/49/775421049.db2.gz VRVBBLKGSSIIQU-YUTCNCBUSA-N 1 1 349.822 0.224 20 30 ECEDMO C=C(C)CN1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024140 790363721 /nfs/dbraw/zinc/36/37/21/790363721.db2.gz BNMWNUQQUUODEM-CVEARBPZSA-N 1 1 346.479 0.928 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044011070 775506235 /nfs/dbraw/zinc/50/62/35/775506235.db2.gz IWMPNEYLAWBEOA-HNNXBMFYSA-N 1 1 349.475 0.786 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044011650 775509520 /nfs/dbraw/zinc/50/95/20/775509520.db2.gz SUFZHIIIUHJBAG-CQSZACIVSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044012011 775512060 /nfs/dbraw/zinc/51/20/60/775512060.db2.gz ZFWONTIMLLMKHH-WMLDXEAASA-N 1 1 337.464 0.620 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(C#N)n2)C1 ZINC001045430371 775601072 /nfs/dbraw/zinc/60/10/72/775601072.db2.gz IRRBGONOORXBIB-KFWWJZLASA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(C#N)n2)C1 ZINC001045430371 775601081 /nfs/dbraw/zinc/60/10/81/775601081.db2.gz IRRBGONOORXBIB-KFWWJZLASA-N 1 1 344.419 0.518 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001045560265 775802860 /nfs/dbraw/zinc/80/28/60/775802860.db2.gz UMSAQXVRZKSULL-DZGCQCFKSA-N 1 1 344.415 0.138 20 30 ECEDMO C=CCn1cc(C(=O)NC2(C)CC[NH+](CC(=O)NC3CC3)CC2)nn1 ZINC001045580973 775828674 /nfs/dbraw/zinc/82/86/74/775828674.db2.gz ZQQJIKPGVNSWGR-UHFFFAOYSA-N 1 1 346.435 0.327 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001044201858 775910608 /nfs/dbraw/zinc/91/06/08/775910608.db2.gz GOHDHLQBEDNPKH-CQSZACIVSA-N 1 1 329.400 0.886 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CCN(CC#N)CC2 ZINC001045673409 776013906 /nfs/dbraw/zinc/01/39/06/776013906.db2.gz RKIKAYNIAYLMRT-HOTGVXAUSA-N 1 1 334.464 0.982 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044303387 776103645 /nfs/dbraw/zinc/10/36/45/776103645.db2.gz WJESAUPWCMEIKW-UHFFFAOYSA-N 1 1 348.447 0.319 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001044336880 776180815 /nfs/dbraw/zinc/18/08/15/776180815.db2.gz XBSWHWMMUFRAFH-IAGOWNOFSA-N 1 1 348.491 0.790 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001070043766 790432944 /nfs/dbraw/zinc/43/29/44/790432944.db2.gz HQHRPBNTOMOYIB-CVEARBPZSA-N 1 1 341.419 0.734 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001070043766 790432947 /nfs/dbraw/zinc/43/29/47/790432947.db2.gz HQHRPBNTOMOYIB-CVEARBPZSA-N 1 1 341.419 0.734 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001044484550 776347333 /nfs/dbraw/zinc/34/73/33/776347333.db2.gz NYWVHFNVNJKUDS-HZPDHXFCSA-N 1 1 349.475 0.457 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)C1 ZINC001044505828 776370556 /nfs/dbraw/zinc/37/05/56/776370556.db2.gz RFIDIPRZVPTKIP-CABCVRRESA-N 1 1 343.431 0.351 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)c(C#N)cn1 ZINC001044537686 776408265 /nfs/dbraw/zinc/40/82/65/776408265.db2.gz BEYZVYCTDPWDDL-UNEWFSDZSA-N 1 1 343.431 0.412 20 30 ECEDMO C#CCCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079639122 776584809 /nfs/dbraw/zinc/58/48/09/776584809.db2.gz UEZBFUWOMOAMDD-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079639122 776584819 /nfs/dbraw/zinc/58/48/19/776584819.db2.gz UEZBFUWOMOAMDD-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001079681866 776676174 /nfs/dbraw/zinc/67/61/74/776676174.db2.gz GJZDKQRNNMLDMA-KRWDZBQOSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](n2ccnn2)C1 ZINC001070062979 790484771 /nfs/dbraw/zinc/48/47/71/790484771.db2.gz MWOSQGKVEIZYCH-HIFRSBDPSA-N 1 1 329.408 0.415 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](n2ccnn2)C1 ZINC001070062979 790484775 /nfs/dbraw/zinc/48/47/75/790484775.db2.gz MWOSQGKVEIZYCH-HIFRSBDPSA-N 1 1 329.408 0.415 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001079770810 776835329 /nfs/dbraw/zinc/83/53/29/776835329.db2.gz MXQZMRCINYAMHS-INIZCTEOSA-N 1 1 349.475 0.960 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001079797958 776888693 /nfs/dbraw/zinc/88/86/93/776888693.db2.gz FMSHYQSIFDNFAO-KBRIMQKVSA-N 1 1 340.427 0.973 20 30 ECEDMO C=CCCC(=O)N1CC(N(CC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001079804810 776905617 /nfs/dbraw/zinc/90/56/17/776905617.db2.gz OEOLEEUJINNPPQ-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn(CC)nn2)[C@@H](n2ccnn2)C1 ZINC001070065948 790490997 /nfs/dbraw/zinc/49/09/97/790490997.db2.gz LPXUQBFCOAIMTL-OCCSQVGLSA-N 1 1 330.396 0.121 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC)nn2)[C@@H](n2ccnn2)C1 ZINC001070065948 790491001 /nfs/dbraw/zinc/49/10/01/790491001.db2.gz LPXUQBFCOAIMTL-OCCSQVGLSA-N 1 1 330.396 0.121 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001079884956 777022833 /nfs/dbraw/zinc/02/28/33/777022833.db2.gz GBRVMYDEEUHLPR-KLHDSHLOSA-N 1 1 330.432 0.958 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001079888877 777027208 /nfs/dbraw/zinc/02/72/08/777027208.db2.gz ZCXXJBHQPBZQTB-BZUAXINKSA-N 1 1 327.432 0.905 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001079928691 777097961 /nfs/dbraw/zinc/09/79/61/777097961.db2.gz RRKPTFQGFRYCSZ-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001079929275 777100170 /nfs/dbraw/zinc/10/01/70/777100170.db2.gz VPSVXYHSGXTMDW-BNOWGMLFSA-N 1 1 345.403 0.019 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)O1 ZINC001068537156 790508626 /nfs/dbraw/zinc/50/86/26/790508626.db2.gz DNLKWQVZCLEJCV-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001079957187 777147088 /nfs/dbraw/zinc/14/70/88/777147088.db2.gz OTXJJTQPZQRUCG-TZMCWYRMSA-N 1 1 326.462 0.824 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001079957187 777147095 /nfs/dbraw/zinc/14/70/95/777147095.db2.gz OTXJJTQPZQRUCG-TZMCWYRMSA-N 1 1 326.462 0.824 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+](C)CCC)C1 ZINC001079981544 777188115 /nfs/dbraw/zinc/18/81/15/777188115.db2.gz UHJUZOOERYRPRF-AWEZNQCLSA-N 1 1 325.453 0.979 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2coc(CCC)n2)[C@@H](n2ccnn2)C1 ZINC001070075307 790518437 /nfs/dbraw/zinc/51/84/37/790518437.db2.gz WRYWSWJIFBSDAD-HIFRSBDPSA-N 1 1 342.403 0.897 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2coc(CCC)n2)[C@@H](n2ccnn2)C1 ZINC001070075307 790518443 /nfs/dbraw/zinc/51/84/43/790518443.db2.gz WRYWSWJIFBSDAD-HIFRSBDPSA-N 1 1 342.403 0.897 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070075306 790518583 /nfs/dbraw/zinc/51/85/83/790518583.db2.gz WRABMPFESZSXPL-WQVCFCJDSA-N 1 1 341.419 0.334 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070075306 790518590 /nfs/dbraw/zinc/51/85/90/790518590.db2.gz WRABMPFESZSXPL-WQVCFCJDSA-N 1 1 341.419 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](CCC)OC)C1 ZINC001080008862 777220782 /nfs/dbraw/zinc/22/07/82/777220782.db2.gz GPQFNFNLRQWVKP-DLBZAZTESA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](CCC)OC)C1 ZINC001080008862 777220788 /nfs/dbraw/zinc/22/07/88/777220788.db2.gz GPQFNFNLRQWVKP-DLBZAZTESA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCCOC)C1 ZINC001080008885 777221599 /nfs/dbraw/zinc/22/15/99/777221599.db2.gz HLMMTVZUHCRWJB-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCCOC)C1 ZINC001080008885 777221606 /nfs/dbraw/zinc/22/16/06/777221606.db2.gz HLMMTVZUHCRWJB-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3cccnc23)[C@@H](n2ccnn2)C1 ZINC001070076581 790524580 /nfs/dbraw/zinc/52/45/80/790524580.db2.gz UCQWLJAQJPABKC-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c3cccnc23)[C@@H](n2ccnn2)C1 ZINC001070076581 790524588 /nfs/dbraw/zinc/52/45/88/790524588.db2.gz UCQWLJAQJPABKC-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077631 790526686 /nfs/dbraw/zinc/52/66/86/790526686.db2.gz LJAAZUSMFHLYSR-CABCVRRESA-N 1 1 330.436 0.292 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001080181622 777512091 /nfs/dbraw/zinc/51/20/91/777512091.db2.gz AIIXWWPYOJJYGE-VHDGCEQUSA-N 1 1 331.420 0.768 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001080206003 777556175 /nfs/dbraw/zinc/55/61/75/777556175.db2.gz BIACBRNGFDMRJN-IJEWVQPXSA-N 1 1 330.432 0.997 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360877 777749391 /nfs/dbraw/zinc/74/93/91/777749391.db2.gz MCNWMINSRALFPQ-BYCMXARLSA-N 1 1 327.388 0.176 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360877 777749401 /nfs/dbraw/zinc/74/94/01/777749401.db2.gz MCNWMINSRALFPQ-BYCMXARLSA-N 1 1 327.388 0.176 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116485 777757501 /nfs/dbraw/zinc/75/75/01/777757501.db2.gz OCZOEUSBRLMBPC-HNNXBMFYSA-N 1 1 335.448 0.396 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]2C)c1 ZINC001080410739 777811197 /nfs/dbraw/zinc/81/11/97/777811197.db2.gz QMYXJNZJRLRLHP-XJKCOSOUSA-N 1 1 328.416 0.590 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]2C)c1 ZINC001080410739 777811205 /nfs/dbraw/zinc/81/12/05/777811205.db2.gz QMYXJNZJRLRLHP-XJKCOSOUSA-N 1 1 328.416 0.590 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080413419 777814860 /nfs/dbraw/zinc/81/48/60/777814860.db2.gz XYIPWYPUEZZJJQ-PXLMOHRFSA-N 1 1 346.431 0.069 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001080415709 777819079 /nfs/dbraw/zinc/81/90/79/777819079.db2.gz BPOQOEZYBFWYOQ-DZGCQCFKSA-N 1 1 346.435 0.032 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001080415710 777820072 /nfs/dbraw/zinc/82/00/72/777820072.db2.gz BPOQOEZYBFWYOQ-HIFRSBDPSA-N 1 1 346.435 0.032 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)Cn2cc[nH+]c2C)CCOCC1 ZINC001070093089 790577099 /nfs/dbraw/zinc/57/70/99/790577099.db2.gz GLKYJIQBQKVYMX-UHFFFAOYSA-N 1 1 346.431 0.777 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001043204434 777953258 /nfs/dbraw/zinc/95/32/58/777953258.db2.gz BHHFRVHZVBVTOO-UXIGCNINSA-N 1 1 328.420 0.867 20 30 ECEDMO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001080532581 777971657 /nfs/dbraw/zinc/97/16/57/777971657.db2.gz PKPHBPIQGOGYLG-UHFFFAOYSA-N 1 1 331.420 0.901 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001043244367 778039033 /nfs/dbraw/zinc/03/90/33/778039033.db2.gz BHZIVINFGQXEEY-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)nn1 ZINC001080578796 778083708 /nfs/dbraw/zinc/08/37/08/778083708.db2.gz ALSZKPRREUZZTM-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2C)nn1 ZINC001080578796 778083714 /nfs/dbraw/zinc/08/37/14/778083714.db2.gz ALSZKPRREUZZTM-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2C)nn1 ZINC001080579141 778083890 /nfs/dbraw/zinc/08/38/90/778083890.db2.gz QNHWCNBCCGAJNY-TZMCWYRMSA-N 1 1 329.408 0.448 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2C)nn1 ZINC001080579141 778083905 /nfs/dbraw/zinc/08/39/05/778083905.db2.gz QNHWCNBCCGAJNY-TZMCWYRMSA-N 1 1 329.408 0.448 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043320363 778153497 /nfs/dbraw/zinc/15/34/97/778153497.db2.gz RNFTYCNYWKXMDP-UHFFFAOYSA-N 1 1 325.453 0.763 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001043416308 778293533 /nfs/dbraw/zinc/29/35/33/778293533.db2.gz WGLOQILUFVTLTO-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C#CC1CC1)O2 ZINC001068573781 790609223 /nfs/dbraw/zinc/60/92/23/790609223.db2.gz VPLMSIMHCTUYRP-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043430285 778316524 /nfs/dbraw/zinc/31/65/24/778316524.db2.gz JKEUHDUBYFFWRU-UHFFFAOYSA-N 1 1 337.464 0.785 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001043432783 778323441 /nfs/dbraw/zinc/32/34/41/778323441.db2.gz LDZPPBALHBTKKN-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)O2 ZINC001068575600 790614089 /nfs/dbraw/zinc/61/40/89/790614089.db2.gz PYNMRJCPDHUZES-HZPDHXFCSA-N 1 1 347.459 0.474 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 ZINC001043461768 778372050 /nfs/dbraw/zinc/37/20/50/778372050.db2.gz DDVNDEYWSCZEKH-UONOGXRCSA-N 1 1 336.436 0.098 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043461864 778372066 /nfs/dbraw/zinc/37/20/66/778372066.db2.gz FYSYTOATRVJGMH-INIZCTEOSA-N 1 1 349.475 0.742 20 30 ECEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001043463398 778376227 /nfs/dbraw/zinc/37/62/27/778376227.db2.gz YNSOVZMOADRHED-UHFFFAOYSA-N 1 1 327.392 0.780 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001043525165 778466969 /nfs/dbraw/zinc/46/69/69/778466969.db2.gz DWLVRLRITRATII-UHFFFAOYSA-N 1 1 348.447 0.319 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1Nc1cncc(C#N)n1 ZINC001043563647 778519095 /nfs/dbraw/zinc/51/90/95/778519095.db2.gz IADFTJNIAOBHJG-QHSBEEBCSA-N 1 1 328.420 0.947 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1Nc1cnc(C#N)cn1 ZINC001043565709 778521964 /nfs/dbraw/zinc/52/19/64/778521964.db2.gz XWULAVXEFYPGRU-QHSBEEBCSA-N 1 1 328.420 0.947 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccncc2C#N)C1 ZINC001068588362 790642841 /nfs/dbraw/zinc/64/28/41/790642841.db2.gz GKTLTYZACNGQHI-RRCSTGOVSA-N 1 1 327.432 0.880 20 30 ECEDMO O=C(C#CC1CC1)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043681946 778714957 /nfs/dbraw/zinc/71/49/57/778714957.db2.gz YNIMUAVRLOQDHZ-CVEARBPZSA-N 1 1 345.443 0.106 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043772945 778849408 /nfs/dbraw/zinc/84/94/08/778849408.db2.gz IAEZAWQDELSPSC-CABCVRRESA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043773371 778850597 /nfs/dbraw/zinc/85/05/97/778850597.db2.gz NQNKYGNXIYJSFY-HUUCEWRRSA-N 1 1 337.464 0.763 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 ZINC001068593385 790660527 /nfs/dbraw/zinc/66/05/27/790660527.db2.gz FYTPMKVSUNKIIL-GXTWGEPZSA-N 1 1 345.403 0.227 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CCC2(CN(C(=O)C#CC(C)C)C2)O1 ZINC001068598500 790675832 /nfs/dbraw/zinc/67/58/32/790675832.db2.gz QNDWDOWEXFYGSI-MRXNPFEDSA-N 1 1 349.475 0.864 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 ZINC001068598864 790679445 /nfs/dbraw/zinc/67/94/45/790679445.db2.gz YOMNHWMMLIYQPC-KGLIPLIRSA-N 1 1 336.436 0.364 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1 ZINC001070128752 790706460 /nfs/dbraw/zinc/70/64/60/790706460.db2.gz CTBVPQLPUIXPOY-OLZOCXBDSA-N 1 1 333.783 0.476 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@@H]1n1ccnn1 ZINC001070140903 790731136 /nfs/dbraw/zinc/73/11/36/790731136.db2.gz BEOLORRUXXZPHP-KGLIPLIRSA-N 1 1 349.826 0.728 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21 ZINC001042283314 779982565 /nfs/dbraw/zinc/98/25/65/779982565.db2.gz JMURNYPLCXFTCD-HIFRSBDPSA-N 1 1 344.415 0.685 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]21 ZINC001042285396 779988420 /nfs/dbraw/zinc/98/84/20/779988420.db2.gz NTRGAKGSOAXMRW-GXTWGEPZSA-N 1 1 330.388 0.295 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C1 ZINC001042303041 780024230 /nfs/dbraw/zinc/02/42/30/780024230.db2.gz CJEXHNOXZSCJCC-ZIAGYGMSSA-N 1 1 344.415 0.668 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C1 ZINC001042303041 780024236 /nfs/dbraw/zinc/02/42/36/780024236.db2.gz CJEXHNOXZSCJCC-ZIAGYGMSSA-N 1 1 344.415 0.668 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]21 ZINC001042317179 780062529 /nfs/dbraw/zinc/06/25/29/780062529.db2.gz WSTYPFXIZOSOHF-CVEARBPZSA-N 1 1 328.416 0.498 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]2CC[N@@H+](CC(N)=O)[C@@H]2C1 ZINC001042320066 780068361 /nfs/dbraw/zinc/06/83/61/780068361.db2.gz MSPDTUHQPLCUBR-DZGCQCFKSA-N 1 1 342.399 0.115 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]2CC[N@H+](CC(N)=O)[C@@H]2C1 ZINC001042320066 780068368 /nfs/dbraw/zinc/06/83/68/780068368.db2.gz MSPDTUHQPLCUBR-DZGCQCFKSA-N 1 1 342.399 0.115 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC001042333428 780087226 /nfs/dbraw/zinc/08/72/26/780087226.db2.gz OPCQKGHIZLZBKK-CHWSQXEVSA-N 1 1 334.420 0.426 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 ZINC001042344907 780108510 /nfs/dbraw/zinc/10/85/10/780108510.db2.gz DFHIONPTLANSOK-LSDHHAIUSA-N 1 1 348.447 0.769 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@@H]21 ZINC001042351948 780121858 /nfs/dbraw/zinc/12/18/58/780121858.db2.gz VLVPPTHQWNGCMD-KGLIPLIRSA-N 1 1 330.388 0.868 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3nc(C4CC4)nn3C)C[C@H]21 ZINC001042362932 780147321 /nfs/dbraw/zinc/14/73/21/780147321.db2.gz NGXIVSYJFWTOBT-DZGCQCFKSA-N 1 1 327.432 0.791 20 30 ECEDMO C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158886 790782705 /nfs/dbraw/zinc/78/27/05/790782705.db2.gz WHXLBAXNUKUXSG-RDBSUJKOSA-N 1 1 338.843 0.466 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2C)C1 ZINC001042502830 780358518 /nfs/dbraw/zinc/35/85/18/780358518.db2.gz SUNBNHWYBPLSED-UMVBOHGHSA-N 1 1 328.420 0.631 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2ccc(F)c(C#N)c2)C1 ZINC001042573934 780468056 /nfs/dbraw/zinc/46/80/56/780468056.db2.gz YKDBJBGMOJZPRJ-QGZVFWFLSA-N 1 1 346.406 0.671 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2ccc(F)c(C#N)c2)C1 ZINC001042573934 780468058 /nfs/dbraw/zinc/46/80/58/780468058.db2.gz YKDBJBGMOJZPRJ-QGZVFWFLSA-N 1 1 346.406 0.671 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)COCC)CC1 ZINC001078991816 780684247 /nfs/dbraw/zinc/68/42/47/780684247.db2.gz ZAHVRYZYDGUBSB-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)COCC)CC1 ZINC001078991816 780684254 /nfs/dbraw/zinc/68/42/54/780684254.db2.gz ZAHVRYZYDGUBSB-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001079129926 780790604 /nfs/dbraw/zinc/79/06/04/780790604.db2.gz OJYURNLIRBXBJJ-BRWVUGGUSA-N 1 1 343.427 0.525 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001079129926 780790613 /nfs/dbraw/zinc/79/06/13/780790613.db2.gz OJYURNLIRBXBJJ-BRWVUGGUSA-N 1 1 343.427 0.525 20 30 ECEDMO CO[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001042797987 780837534 /nfs/dbraw/zinc/83/75/34/780837534.db2.gz DAXVVYHERJLSFW-HUUCEWRRSA-N 1 1 340.387 0.927 20 30 ECEDMO CSCC(=O)N1CC[NH+](CCCCCNC(=O)[C@@H](C)C#N)CC1 ZINC001079164750 780846336 /nfs/dbraw/zinc/84/63/36/780846336.db2.gz QPIMNVYLALTSPM-AWEZNQCLSA-N 1 1 340.493 0.940 20 30 ECEDMO CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001042835727 780914449 /nfs/dbraw/zinc/91/44/49/780914449.db2.gz KOMSXWLYRDOFQN-FRFSOERESA-N 1 1 343.431 0.533 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001042849982 780941266 /nfs/dbraw/zinc/94/12/66/780941266.db2.gz ZQRVMKFKSBBYSY-SJORKVTESA-N 1 1 348.491 0.790 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001042929272 781054455 /nfs/dbraw/zinc/05/44/55/781054455.db2.gz BVGGUNIDMILFHW-HZPDHXFCSA-N 1 1 340.387 0.478 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001042937730 781067101 /nfs/dbraw/zinc/06/71/01/781067101.db2.gz KFZQNQOCULDOPN-JKSUJKDBSA-N 1 1 347.459 0.210 20 30 ECEDMO CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042948579 781084826 /nfs/dbraw/zinc/08/48/26/781084826.db2.gz IRSCAWIPUOLUEZ-QLFBSQMISA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cn(C(C)C)nn2)C1 ZINC001042960815 781103327 /nfs/dbraw/zinc/10/33/27/781103327.db2.gz VNGIRBMDVFJLIV-KRWDZBQOSA-N 1 1 344.463 0.599 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cn(C(C)C)nn2)C1 ZINC001042960815 781103331 /nfs/dbraw/zinc/10/33/31/781103331.db2.gz VNGIRBMDVFJLIV-KRWDZBQOSA-N 1 1 344.463 0.599 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001079467465 781153919 /nfs/dbraw/zinc/15/39/19/781153919.db2.gz IOHSWVZPOHEQCB-OAGGEKHMSA-N 1 1 345.447 0.415 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cnn(C)c3)C2)C1=O ZINC001079482531 781166943 /nfs/dbraw/zinc/16/69/43/781166943.db2.gz CDMLYEILQLJCOT-BMFZPTHFSA-N 1 1 345.447 0.186 20 30 ECEDMO C=CCOCC(=O)N(CC)C1CN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001079492576 781178935 /nfs/dbraw/zinc/17/89/35/781178935.db2.gz DMABSYWVGMBASU-UHFFFAOYSA-N 1 1 325.453 0.979 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043043500 781235616 /nfs/dbraw/zinc/23/56/16/781235616.db2.gz MJJUHNVSVQNLMF-OAHLLOKOSA-N 1 1 335.448 0.352 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043044067 781237132 /nfs/dbraw/zinc/23/71/32/781237132.db2.gz SQTSCKPWEZXWLL-AWEZNQCLSA-N 1 1 337.464 0.761 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(Cc3cccc(C#N)c3)C2)O1 ZINC001043067314 781266891 /nfs/dbraw/zinc/26/68/91/781266891.db2.gz MCMYSBRBXRAMSV-RDTXWAMCSA-N 1 1 342.443 0.920 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(Cc3cccc(C#N)c3)C2)O1 ZINC001043067314 781266895 /nfs/dbraw/zinc/26/68/95/781266895.db2.gz MCMYSBRBXRAMSV-RDTXWAMCSA-N 1 1 342.443 0.920 20 30 ECEDMO COc1nccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001079589049 781291272 /nfs/dbraw/zinc/29/12/72/781291272.db2.gz RPJOOILTAWBUOP-IAQYHMDHSA-N 1 1 340.387 0.935 20 30 ECEDMO COc1nccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001079589049 781291277 /nfs/dbraw/zinc/29/12/77/781291277.db2.gz RPJOOILTAWBUOP-IAQYHMDHSA-N 1 1 340.387 0.935 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079598386 781304488 /nfs/dbraw/zinc/30/44/88/781304488.db2.gz AXCXHBHULUZNBP-WQVCFCJDSA-N 1 1 348.472 0.887 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079598386 781304496 /nfs/dbraw/zinc/30/44/96/781304496.db2.gz AXCXHBHULUZNBP-WQVCFCJDSA-N 1 1 348.472 0.887 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001079603695 781310019 /nfs/dbraw/zinc/31/00/19/781310019.db2.gz QVXZBRJAVWHSFR-UPJWGTAASA-N 1 1 348.403 0.520 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001079603695 781310024 /nfs/dbraw/zinc/31/00/24/781310024.db2.gz QVXZBRJAVWHSFR-UPJWGTAASA-N 1 1 348.403 0.520 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]2O)CC1 ZINC001077625157 781374685 /nfs/dbraw/zinc/37/46/85/781374685.db2.gz SWNWIOMRNQOHOD-ARFHVFGLSA-N 1 1 345.447 0.673 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)Cn2cc[nH+]c2C)cn1 ZINC001077633240 781390179 /nfs/dbraw/zinc/39/01/79/781390179.db2.gz IOLYYBDPOQMTPL-ZDUSSCGKSA-N 1 1 339.399 0.893 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]2O)C1 ZINC001077645664 781417928 /nfs/dbraw/zinc/41/79/28/781417928.db2.gz RBAPHYYYROGRRA-MGPQQGTHSA-N 1 1 331.420 0.283 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)c1 ZINC001077648925 781422424 /nfs/dbraw/zinc/42/24/24/781422424.db2.gz YWFCNHSLBBMKBX-KBAYOESNSA-N 1 1 343.427 0.655 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@H]2O)c1 ZINC001077649833 781423519 /nfs/dbraw/zinc/42/35/19/781423519.db2.gz HMNSIJRXJSMLIN-KURKYZTESA-N 1 1 343.427 0.653 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C2CCCC2)C1 ZINC001077650889 781426300 /nfs/dbraw/zinc/42/63/00/781426300.db2.gz GIQYTBBBIGXQOF-HZPDHXFCSA-N 1 1 330.432 0.876 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041424358 781477684 /nfs/dbraw/zinc/47/76/84/781477684.db2.gz ZOHVVYHRNJMFGN-KSSFIOAISA-N 1 1 343.431 0.494 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041424357 781477887 /nfs/dbraw/zinc/47/78/87/781477887.db2.gz ZOHVVYHRNJMFGN-KDOFPFPSSA-N 1 1 343.431 0.494 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001077682667 781503829 /nfs/dbraw/zinc/50/38/29/781503829.db2.gz DWNNHUILKSHSNW-USXIJHARSA-N 1 1 332.448 0.881 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041452090 781545271 /nfs/dbraw/zinc/54/52/71/781545271.db2.gz SADBRHWIGUQFRW-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNc3nccnc3C#N)C2)C1 ZINC001041506991 781656241 /nfs/dbraw/zinc/65/62/41/781656241.db2.gz WFEVWWZLQSORGW-UONOGXRCSA-N 1 1 344.419 0.329 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C2)C1 ZINC001041512785 781672686 /nfs/dbraw/zinc/67/26/86/781672686.db2.gz PZGWOOMBBNJOLI-YQVWRLOYSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)nn1 ZINC001077813804 781745826 /nfs/dbraw/zinc/74/58/26/781745826.db2.gz CYCTTXDAMAOCQD-GDBMZVCRSA-N 1 1 349.435 0.056 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2OCCCO3)C1 ZINC001077896125 781894882 /nfs/dbraw/zinc/89/48/82/781894882.db2.gz PTUVDVLOSIAKCH-HUUCEWRRSA-N 1 1 330.384 0.646 20 30 ECEDMO CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001077903261 781907691 /nfs/dbraw/zinc/90/76/91/781907691.db2.gz UWXWQGSUYSHYGH-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCCO1 ZINC001039907865 783256593 /nfs/dbraw/zinc/25/65/93/783256593.db2.gz KYVCAGILQVJVNG-CABCVRRESA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(c2ncccc2C#N)CCCO1 ZINC001039908396 783259038 /nfs/dbraw/zinc/25/90/38/783259038.db2.gz YOOJYDDSVSLGRX-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(c3ccncc3C#N)CCCO2)C1 ZINC001039915383 783275826 /nfs/dbraw/zinc/27/58/26/783275826.db2.gz QMKJAJNVEWNJLE-ZBFHGGJFSA-N 1 1 343.431 0.616 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001039986491 783357917 /nfs/dbraw/zinc/35/79/17/783357917.db2.gz CGWNXZSEROYCIN-QGZVFWFLSA-N 1 1 325.453 0.764 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001039987038 783359360 /nfs/dbraw/zinc/35/93/60/783359360.db2.gz KXJRJHLWVKKWPJ-KRWDZBQOSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCCS3(=O)=O)C2)CC1 ZINC001040790491 783446464 /nfs/dbraw/zinc/44/64/64/783446464.db2.gz WLNCKFPHDJYKFQ-OAHLLOKOSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001040059970 783463747 /nfs/dbraw/zinc/46/37/47/783463747.db2.gz NMBYGTBEOGQNNQ-BEFAXECRSA-N 1 1 347.459 0.211 20 30 ECEDMO Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070161046 783566578 /nfs/dbraw/zinc/56/65/78/783566578.db2.gz RTBJEZGQDICNNE-RTXFEEFZSA-N 1 1 329.364 0.276 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070172985 783593379 /nfs/dbraw/zinc/59/33/79/783593379.db2.gz XCKPBFRYADKJNF-INIZCTEOSA-N 1 1 349.475 0.769 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@@H]1n1ccnn1 ZINC001070187694 783620999 /nfs/dbraw/zinc/62/09/99/783620999.db2.gz MHHZKAYRTLONQZ-KGLIPLIRSA-N 1 1 347.810 0.784 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070192770 783626604 /nfs/dbraw/zinc/62/66/04/783626604.db2.gz OHJFISXUCNDBEV-OAGGEKHMSA-N 1 1 330.436 0.126 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070192770 783626605 /nfs/dbraw/zinc/62/66/05/783626605.db2.gz OHJFISXUCNDBEV-OAGGEKHMSA-N 1 1 330.436 0.126 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070232868 783708547 /nfs/dbraw/zinc/70/85/47/783708547.db2.gz TXCSVNUPWVVUHX-ZIAGYGMSSA-N 1 1 336.436 0.269 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070234090 783712295 /nfs/dbraw/zinc/71/22/95/783712295.db2.gz MPQUXFPTDKVGIZ-BFHYXJOUSA-N 1 1 336.436 0.268 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCOCC1 ZINC001070254400 783750250 /nfs/dbraw/zinc/75/02/50/783750250.db2.gz JTDFBQOIASWEDA-CVEARBPZSA-N 1 1 349.475 0.769 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)cc2)C1 ZINC001038134496 783899882 /nfs/dbraw/zinc/89/98/82/783899882.db2.gz FOUXQYTWPSSFSD-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)cc2)C1 ZINC001038134496 783899886 /nfs/dbraw/zinc/89/98/86/783899886.db2.gz FOUXQYTWPSSFSD-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)c(F)c2)C1 ZINC001038138234 783906750 /nfs/dbraw/zinc/90/67/50/783906750.db2.gz UPESNXBFUGSBDV-RDJZCZTQSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)c(F)c2)C1 ZINC001038138234 783906755 /nfs/dbraw/zinc/90/67/55/783906755.db2.gz UPESNXBFUGSBDV-RDJZCZTQSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2cc(F)ccc2C#N)C1 ZINC001038138832 783906791 /nfs/dbraw/zinc/90/67/91/783906791.db2.gz YEFOLCNJHFCBPN-SJORKVTESA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2cc(F)ccc2C#N)C1 ZINC001038138832 783906800 /nfs/dbraw/zinc/90/68/00/783906800.db2.gz YEFOLCNJHFCBPN-SJORKVTESA-N 1 1 346.406 0.718 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001070385515 783928663 /nfs/dbraw/zinc/92/86/63/783928663.db2.gz YMBMIWCTNKKWMY-UONOGXRCSA-N 1 1 346.387 0.445 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nnn(C)c2C)C1 ZINC001070401363 783971851 /nfs/dbraw/zinc/97/18/51/783971851.db2.gz MXZLZYLSFOOYQF-ZDUSSCGKSA-N 1 1 341.419 0.589 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001070403442 783979177 /nfs/dbraw/zinc/97/91/77/783979177.db2.gz STILERJCBLRFES-VXGBXAGGSA-N 1 1 342.403 0.710 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(CC)n2)C1 ZINC001070407248 783990541 /nfs/dbraw/zinc/99/05/41/783990541.db2.gz APKIQPDBTKQNDW-CYBMUJFWSA-N 1 1 341.419 0.764 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001070407393 783990733 /nfs/dbraw/zinc/99/07/33/783990733.db2.gz FFYZKKKTKOZAGX-TZMCWYRMSA-N 1 1 347.419 0.890 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001070409969 783997538 /nfs/dbraw/zinc/99/75/38/783997538.db2.gz QOBCVBPHDLTRTE-UONOGXRCSA-N 1 1 343.431 0.317 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001070412998 784007422 /nfs/dbraw/zinc/00/74/22/784007422.db2.gz PZQPWBNBCPESQH-TZMCWYRMSA-N 1 1 331.420 0.527 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001070413268 784008795 /nfs/dbraw/zinc/00/87/95/784008795.db2.gz YKIAOELHETXQEU-ZQIUZPCESA-N 1 1 346.431 0.642 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001070414517 784013888 /nfs/dbraw/zinc/01/38/88/784013888.db2.gz OLTKWJFQBOVQPH-ZIAGYGMSSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnc[nH]c2=O)C1 ZINC001070415019 784015928 /nfs/dbraw/zinc/01/59/28/784015928.db2.gz XDAGUMPTVRNOPC-LBPRGKRZSA-N 1 1 340.387 0.648 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001070421610 784031360 /nfs/dbraw/zinc/03/13/60/784031360.db2.gz RBWVZDXCEWJVPD-ZFWWWQNUSA-N 1 1 345.447 0.870 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001070421608 784032137 /nfs/dbraw/zinc/03/21/37/784032137.db2.gz RBWVZDXCEWJVPD-HIFRSBDPSA-N 1 1 345.447 0.870 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001070422712 784034488 /nfs/dbraw/zinc/03/44/88/784034488.db2.gz GTAQRGBEHFZHMH-GFCCVEGCSA-N 1 1 340.387 0.236 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cccc(=O)n2C)C1 ZINC001070422914 784035755 /nfs/dbraw/zinc/03/57/55/784035755.db2.gz LKWPLEGJWOMVBY-CYBMUJFWSA-N 1 1 339.399 0.461 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001070433974 784060861 /nfs/dbraw/zinc/06/08/61/784060861.db2.gz JHFXDQKPQQZCOV-ZIAGYGMSSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001070434373 784063740 /nfs/dbraw/zinc/06/37/40/784063740.db2.gz TVZYCCBISAVAOD-DZGCQCFKSA-N 1 1 343.431 0.459 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)OCC=C)C1 ZINC001070904744 784085911 /nfs/dbraw/zinc/08/59/11/784085911.db2.gz BYWDPGVRXFZLDD-ZACQAIPSSA-N 1 1 347.459 0.782 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)OCC=C)C1 ZINC001070904744 784085917 /nfs/dbraw/zinc/08/59/17/784085917.db2.gz BYWDPGVRXFZLDD-ZACQAIPSSA-N 1 1 347.459 0.782 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cnsn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442929 784087992 /nfs/dbraw/zinc/08/79/92/784087992.db2.gz SVSBLBQXVBVGSE-LLVKDONJSA-N 1 1 345.432 0.692 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070443042 784088936 /nfs/dbraw/zinc/08/89/36/784088936.db2.gz VVHVNTIWNQHGMD-ZIAGYGMSSA-N 1 1 331.420 0.563 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001070945321 784187305 /nfs/dbraw/zinc/18/73/05/784187305.db2.gz GUGVTFWLJXKFKQ-NWDGAFQWSA-N 1 1 333.392 0.617 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC001070948559 784197733 /nfs/dbraw/zinc/19/77/33/784197733.db2.gz RDAWORPMMZMAMG-LSDHHAIUSA-N 1 1 336.436 0.366 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC001070948559 784197735 /nfs/dbraw/zinc/19/77/35/784197735.db2.gz RDAWORPMMZMAMG-LSDHHAIUSA-N 1 1 336.436 0.366 20 30 ECEDMO COC[C@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956178 784220824 /nfs/dbraw/zinc/22/08/24/784220824.db2.gz IKMXORHBFOVGGM-ZDUSSCGKSA-N 1 1 347.419 0.185 20 30 ECEDMO COC[C@H](C)[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956178 784220831 /nfs/dbraw/zinc/22/08/31/784220831.db2.gz IKMXORHBFOVGGM-ZDUSSCGKSA-N 1 1 347.419 0.185 20 30 ECEDMO CO[C@@H](C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956564 784221339 /nfs/dbraw/zinc/22/13/39/784221339.db2.gz SGCDYOURZJCIQC-ZDUSSCGKSA-N 1 1 347.419 0.185 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956564 784221347 /nfs/dbraw/zinc/22/13/47/784221347.db2.gz SGCDYOURZJCIQC-ZDUSSCGKSA-N 1 1 347.419 0.185 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1c1cn(C)cn1 ZINC001070535657 784240824 /nfs/dbraw/zinc/24/08/24/784240824.db2.gz DKNWDBBQCUGHNK-GOEBONIOSA-N 1 1 343.435 0.631 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070535657 784240829 /nfs/dbraw/zinc/24/08/29/784240829.db2.gz DKNWDBBQCUGHNK-GOEBONIOSA-N 1 1 343.435 0.631 20 30 ECEDMO N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001070963428 784243813 /nfs/dbraw/zinc/24/38/13/784243813.db2.gz QPGUOQYCZPEDKO-HZPDHXFCSA-N 1 1 347.463 0.035 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCO[C@H]2CC)CC1 ZINC001070969404 784264316 /nfs/dbraw/zinc/26/43/16/784264316.db2.gz PPEVXKCGHODGNF-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCO[C@H]2CC)CC1 ZINC001070969404 784264327 /nfs/dbraw/zinc/26/43/27/784264327.db2.gz PPEVXKCGHODGNF-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1 ZINC001070568063 784285007 /nfs/dbraw/zinc/28/50/07/784285007.db2.gz XGVKJBGBPYAILZ-UAGQMJEPSA-N 1 1 344.463 0.702 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001070992619 784346079 /nfs/dbraw/zinc/34/60/79/784346079.db2.gz QJZUWLRNHQYQTR-HOTGVXAUSA-N 1 1 334.464 0.000 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070585741 784364219 /nfs/dbraw/zinc/36/42/19/784364219.db2.gz LPNAXFRDOQYYOC-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070585741 784364222 /nfs/dbraw/zinc/36/42/22/784364222.db2.gz LPNAXFRDOQYYOC-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2n[nH]cc2C)n1 ZINC001070596488 784407523 /nfs/dbraw/zinc/40/75/23/784407523.db2.gz JTRIHJQGMYUDDP-KBPBESRZSA-N 1 1 342.403 0.889 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CC(C)C)CC2)cn1 ZINC001071016774 784427667 /nfs/dbraw/zinc/42/76/67/784427667.db2.gz WIHXISBBWMESMJ-UHFFFAOYSA-N 1 1 342.443 0.983 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)CN2CCCC2)n1 ZINC001070606167 784428086 /nfs/dbraw/zinc/42/80/86/784428086.db2.gz PQTUPOQFEIKDON-JKSUJKDBSA-N 1 1 345.447 0.640 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001071023266 784449010 /nfs/dbraw/zinc/44/90/10/784449010.db2.gz XMQFWTNBKVEMGC-HNNXBMFYSA-N 1 1 335.452 0.035 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H](NCC#N)C2)CC[N@H+]1C ZINC001070649010 784495372 /nfs/dbraw/zinc/49/53/72/784495372.db2.gz JELFKTWFUGPXQZ-ZJIFWQFVSA-N 1 1 344.463 0.558 20 30 ECEDMO Cn1cncc1[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCC#N ZINC001070657892 784510927 /nfs/dbraw/zinc/51/09/27/784510927.db2.gz QVJGKNKLLPQBQI-ARFHVFGLSA-N 1 1 344.463 0.702 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001070670797 784527436 /nfs/dbraw/zinc/52/74/36/784527436.db2.gz JPKGHIZSVAZQAK-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001070670797 784527443 /nfs/dbraw/zinc/52/74/43/784527443.db2.gz JPKGHIZSVAZQAK-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)[nH]n1)C[C@@H](C)O2 ZINC001071129820 784571304 /nfs/dbraw/zinc/57/13/04/784571304.db2.gz RMLQSGRJDPGBSD-DYVFJYSZSA-N 1 1 330.388 0.511 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cncn1C ZINC001070704905 784571358 /nfs/dbraw/zinc/57/13/58/784571358.db2.gz QYLMJTRPEWWFBM-ZYHUDNBSSA-N 1 1 336.783 0.753 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@H](C)O2 ZINC001071133666 784576643 /nfs/dbraw/zinc/57/66/43/784576643.db2.gz FEGLPZHQPUAGRP-YJBOKZPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)C[C@H](C)O2 ZINC001071156862 784620334 /nfs/dbraw/zinc/62/03/34/784620334.db2.gz NTPDDXAIJNGIJL-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)C[C@@H](C)O2 ZINC001071157267 784622002 /nfs/dbraw/zinc/62/20/02/784622002.db2.gz VCGKLQSMKJERKP-AEFFLSMTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnnn1CC)C[C@@H](C)O2 ZINC001071158898 784624250 /nfs/dbraw/zinc/62/42/50/784624250.db2.gz DJCYWWPCVSYBGI-RHSMWYFYSA-N 1 1 331.420 0.627 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@@H](C)O2 ZINC001071159170 784626065 /nfs/dbraw/zinc/62/60/65/784626065.db2.gz IHLPOQGFNQQZOM-DYVFJYSZSA-N 1 1 333.388 0.307 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CN=NC1=O)C[C@H](C)O2 ZINC001071160028 784629267 /nfs/dbraw/zinc/62/92/67/784629267.db2.gz WFIUCMYUYOQSQH-YOEHRIQHSA-N 1 1 349.435 0.642 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CCOC)nn1)C[C@@H](C)O2 ZINC001071164349 784636456 /nfs/dbraw/zinc/63/64/56/784636456.db2.gz LAOLPGQPRDDNEA-PBHICJAKSA-N 1 1 349.435 0.416 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001070736163 784636814 /nfs/dbraw/zinc/63/68/14/784636814.db2.gz ROOOVKLGJYQENR-RWMBFGLXSA-N 1 1 334.399 0.091 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070736163 784636820 /nfs/dbraw/zinc/63/68/20/784636820.db2.gz ROOOVKLGJYQENR-RWMBFGLXSA-N 1 1 334.399 0.091 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070736163 784636826 /nfs/dbraw/zinc/63/68/26/784636826.db2.gz ROOOVKLGJYQENR-RWMBFGLXSA-N 1 1 334.399 0.091 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070736163 784636831 /nfs/dbraw/zinc/63/68/31/784636831.db2.gz ROOOVKLGJYQENR-RWMBFGLXSA-N 1 1 334.399 0.091 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001070736163 784636836 /nfs/dbraw/zinc/63/68/36/784636836.db2.gz ROOOVKLGJYQENR-RWMBFGLXSA-N 1 1 334.399 0.091 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@@H](C)O2 ZINC001071168675 784646489 /nfs/dbraw/zinc/64/64/89/784646489.db2.gz GBOJGOHXXZKVBG-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc3[nH]cnc31)C[C@H](C)O2 ZINC001071173238 784659234 /nfs/dbraw/zinc/65/92/34/784659234.db2.gz FVDIOVBAHQVTLB-UGSOOPFHSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc3[nH]cnc31)C[C@H](C)O2 ZINC001071173238 784659240 /nfs/dbraw/zinc/65/92/40/784659240.db2.gz FVDIOVBAHQVTLB-UGSOOPFHSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OCC)n[nH]1)C[C@@H](C)O2 ZINC001071177766 784669751 /nfs/dbraw/zinc/66/97/51/784669751.db2.gz GDOIYLPMWNWOMG-CXAGYDPISA-N 1 1 332.404 0.747 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnccc1OC)C[C@@H](C)O2 ZINC001071180297 784677952 /nfs/dbraw/zinc/67/79/52/784677952.db2.gz JYPMDMGBXDFTBH-DNVCBOLYSA-N 1 1 343.427 0.958 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071183046 784682508 /nfs/dbraw/zinc/68/25/08/784682508.db2.gz INHTVLORIMRCTB-KUHUBIRLSA-N 1 1 341.411 0.724 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc3ncnn31)C[C@@H](C)O2 ZINC001071186676 784691927 /nfs/dbraw/zinc/69/19/27/784691927.db2.gz WJJBDEXKSBQEJN-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@@H](C)O2 ZINC001071188752 784692790 /nfs/dbraw/zinc/69/27/90/784692790.db2.gz AQEIWFNTFKEAKR-DYVFJYSZSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@@H](C)O2 ZINC001071188839 784693358 /nfs/dbraw/zinc/69/33/58/784693358.db2.gz BTIVWFCPHIAJSE-PXAZEXFGSA-N 1 1 333.388 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3nccn3c1)C[C@H](C)O2 ZINC001071190369 784698081 /nfs/dbraw/zinc/69/80/81/784698081.db2.gz YEYZAOFHVNTRCK-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cncc1C)C[C@@H](C)O2 ZINC001071192772 784706493 /nfs/dbraw/zinc/70/64/93/784706493.db2.gz RKPMAHQESUYAQO-SJLPKXTDSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@@H](C)O2 ZINC001071201571 784723164 /nfs/dbraw/zinc/72/31/64/784723164.db2.gz GZQBDDLOMHAXDJ-CXAGYDPISA-N 1 1 332.404 0.651 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@@H](C)O2 ZINC001071203828 784727751 /nfs/dbraw/zinc/72/77/51/784727751.db2.gz ICJVNISYKPGCEV-QAPCUYQASA-N 1 1 346.431 0.514 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@H](C)O2 ZINC001071204383 784729521 /nfs/dbraw/zinc/72/95/21/784729521.db2.gz OFRUTUCUQIJGKH-MAUKXSAKSA-N 1 1 346.431 0.514 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@@H](C)O2 ZINC001071212227 784746709 /nfs/dbraw/zinc/74/67/09/784746709.db2.gz UTIQIESZEBSIAV-ACJLOTCBSA-N 1 1 345.399 0.707 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CCCO)C3)C2)nn1 ZINC001071215667 784754372 /nfs/dbraw/zinc/75/43/72/784754372.db2.gz FOMMMAZVEBURPP-RHSMWYFYSA-N 1 1 349.435 0.152 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn(C)nc1C)C[C@H](C)O2 ZINC001071215901 784755549 /nfs/dbraw/zinc/75/55/49/784755549.db2.gz IVMNYDYKNBTEOU-KXBFYZLASA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3cccnn31)C[C@@H](C)O2 ZINC001071216723 784757536 /nfs/dbraw/zinc/75/75/36/784757536.db2.gz VJSALOGZUQJMSI-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@H](C)O2 ZINC001071218341 784762885 /nfs/dbraw/zinc/76/28/85/784762885.db2.gz MGPWKUIFNPUWOL-HKUYNNGSSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(=O)N1CCC(C)CC1)C[C@@H](C)O2 ZINC001071219815 784765789 /nfs/dbraw/zinc/76/57/89/784765789.db2.gz YNJHCSBAJURKFQ-VQIMIIECSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@@H](C)O2 ZINC001071233521 784797703 /nfs/dbraw/zinc/79/77/03/784797703.db2.gz KDVJCQALLLHYAE-DYVFJYSZSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CCC1=O)C[C@H](C)O2 ZINC001071238620 784809006 /nfs/dbraw/zinc/80/90/06/784809006.db2.gz OTNVLXDBVUPNMA-KBXCAEBGSA-N 1 1 349.431 0.403 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@H](C)O2 ZINC001071240174 784812017 /nfs/dbraw/zinc/81/20/17/784812017.db2.gz AYIIQILRJSLIMX-LPHOPBHVSA-N 1 1 343.427 0.563 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn(C)c1)C[C@@H](C)O2 ZINC001071243077 784819906 /nfs/dbraw/zinc/81/99/06/784819906.db2.gz APZQMVINXYVKJS-CRAIPNDOSA-N 1 1 330.432 0.678 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@H](C)O2 ZINC001071248665 784831959 /nfs/dbraw/zinc/83/19/59/784831959.db2.gz PQJFEOZKECSILL-MAUKXSAKSA-N 1 1 345.447 0.463 20 30 ECEDMO C=C(C)CC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cnon3)C2)C(=O)C1 ZINC001071275269 784914104 /nfs/dbraw/zinc/91/41/04/784914104.db2.gz ARWSEJWCLILLDQ-CQSZACIVSA-N 1 1 347.419 0.785 20 30 ECEDMO C=C(C)CC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cnon3)C2)C(=O)C1 ZINC001071275269 784914108 /nfs/dbraw/zinc/91/41/08/784914108.db2.gz ARWSEJWCLILLDQ-CQSZACIVSA-N 1 1 347.419 0.785 20 30 ECEDMO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001068751805 791071020 /nfs/dbraw/zinc/07/10/20/791071020.db2.gz SJKDPIUJLPPMMJ-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001071803555 785127250 /nfs/dbraw/zinc/12/72/50/785127250.db2.gz OEXJCMQHRCODDS-KBPBESRZSA-N 1 1 348.447 0.864 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)N3CCC3)C2)c1 ZINC001071813651 785145173 /nfs/dbraw/zinc/14/51/73/785145173.db2.gz CTBHQGDDJGSNPR-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001071813651 785145177 /nfs/dbraw/zinc/14/51/77/785145177.db2.gz CTBHQGDDJGSNPR-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)CC[C@H]1C ZINC001071860944 785233898 /nfs/dbraw/zinc/23/38/98/785233898.db2.gz MWECEYRIQQLXQF-KGLIPLIRSA-N 1 1 344.419 0.436 20 30 ECEDMO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071874131 785251944 /nfs/dbraw/zinc/25/19/44/785251944.db2.gz GERUFAMUKCBPNS-BLLLJJGKSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@@H]1C ZINC001071890579 785279225 /nfs/dbraw/zinc/27/92/25/785279225.db2.gz OHBYCMRVFNIBNW-KBPBESRZSA-N 1 1 334.424 0.334 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001071921130 785337883 /nfs/dbraw/zinc/33/78/83/785337883.db2.gz BGRPXGXENQVXLC-WFASDCNBSA-N 1 1 331.420 0.803 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC[C@H]1C ZINC001071631516 785419008 /nfs/dbraw/zinc/41/90/08/785419008.db2.gz NWKFEFHSIWQFRD-OLZOCXBDSA-N 1 1 328.376 0.535 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)CC[C@H]1C ZINC001071975824 785457144 /nfs/dbraw/zinc/45/71/44/785457144.db2.gz ZPDLQDPIBJLNHL-KGLIPLIRSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)CC[C@H]1C ZINC001071975824 785457149 /nfs/dbraw/zinc/45/71/49/785457149.db2.gz ZPDLQDPIBJLNHL-KGLIPLIRSA-N 1 1 331.420 0.846 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071658462 785464774 /nfs/dbraw/zinc/46/47/74/785464774.db2.gz NLSHCDTVMPPZGJ-STQMWFEESA-N 1 1 326.466 0.546 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC[C@@H]1C ZINC001071990426 785489436 /nfs/dbraw/zinc/48/94/36/785489436.db2.gz ZVWWSEWOUZFZQU-WDEREUQCSA-N 1 1 334.376 0.502 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCn3cncn3)C2)nc1 ZINC001072003399 785510742 /nfs/dbraw/zinc/51/07/42/785510742.db2.gz ULEQNFMCYGJDKT-GDBMZVCRSA-N 1 1 338.415 0.937 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@H]1C ZINC001071725090 785594344 /nfs/dbraw/zinc/59/43/44/785594344.db2.gz QCWJNMRWVZCYLB-YPMHNXCESA-N 1 1 344.423 0.853 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@@H]1C ZINC001072098985 785666973 /nfs/dbraw/zinc/66/69/73/785666973.db2.gz JTWZHYLUWIAHAA-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001072357979 786074881 /nfs/dbraw/zinc/07/48/81/786074881.db2.gz IUCZKMFHJQSKQT-HUUCEWRRSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H](CC)OC)C3)C2)C1=O ZINC001072533261 786336277 /nfs/dbraw/zinc/33/62/77/786336277.db2.gz KXOPBGGCUQVDRV-CABCVRRESA-N 1 1 335.448 0.733 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)C2 ZINC001072552144 786356970 /nfs/dbraw/zinc/35/69/70/786356970.db2.gz MOXUQIJNIDLQLG-UONOGXRCSA-N 1 1 339.461 0.505 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001073543533 786531244 /nfs/dbraw/zinc/53/12/44/786531244.db2.gz IIUXAVNCPBCWRR-HIFRSBDPSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001073543533 786531248 /nfs/dbraw/zinc/53/12/48/786531248.db2.gz IIUXAVNCPBCWRR-HIFRSBDPSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001073544880 786535728 /nfs/dbraw/zinc/53/57/28/786535728.db2.gz ILZZEGXASQZYFV-LSDHHAIUSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001073544880 786535732 /nfs/dbraw/zinc/53/57/32/786535732.db2.gz ILZZEGXASQZYFV-LSDHHAIUSA-N 1 1 347.419 0.017 20 30 ECEDMO CC(C)C#CC(=O)N1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001073553822 786573171 /nfs/dbraw/zinc/57/31/71/786573171.db2.gz KYQOJPILEZPXRN-KRWDZBQOSA-N 1 1 346.475 0.095 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 ZINC001074293869 786612883 /nfs/dbraw/zinc/61/28/83/786612883.db2.gz FDLGBJGAUVGJSC-GJZGRUSLSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 ZINC001074293869 786612888 /nfs/dbraw/zinc/61/28/88/786612888.db2.gz FDLGBJGAUVGJSC-GJZGRUSLSA-N 1 1 334.420 0.920 20 30 ECEDMO C#CCCCC(=O)N1CCN(C2CN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001073565842 786623749 /nfs/dbraw/zinc/62/37/49/786623749.db2.gz LGZYIZVRIQQQDI-UHFFFAOYSA-N 1 1 348.491 0.487 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 ZINC001074302153 786632221 /nfs/dbraw/zinc/63/22/21/786632221.db2.gz MAJPZELJRGCRRV-LSDHHAIUSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 ZINC001074302153 786632227 /nfs/dbraw/zinc/63/22/27/786632227.db2.gz MAJPZELJRGCRRV-LSDHHAIUSA-N 1 1 332.404 0.272 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)[nH]1 ZINC001073573978 786653068 /nfs/dbraw/zinc/65/30/68/786653068.db2.gz GEAKPRFGMKFVPZ-HIFRSBDPSA-N 1 1 332.404 0.744 20 30 ECEDMO C=C(C)CCC(=O)N1CCN(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001073576638 786659496 /nfs/dbraw/zinc/65/94/96/786659496.db2.gz SHYWEJCHSUZZES-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO Cn1cncc1C[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073577016 786660209 /nfs/dbraw/zinc/66/02/09/786660209.db2.gz JXLWPGRIKYYNHS-MRXNPFEDSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1cncc1C[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073577016 786660212 /nfs/dbraw/zinc/66/02/12/786660212.db2.gz JXLWPGRIKYYNHS-MRXNPFEDSA-N 1 1 342.403 0.641 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001073579504 786670751 /nfs/dbraw/zinc/67/07/51/786670751.db2.gz SEBRYMLNOFURII-UHFFFAOYSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 ZINC001074335709 786697955 /nfs/dbraw/zinc/69/79/55/786697955.db2.gz CLEJDMFPKROLDL-CVEARBPZSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 ZINC001074335709 786697956 /nfs/dbraw/zinc/69/79/56/786697956.db2.gz CLEJDMFPKROLDL-CVEARBPZSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001073616263 786776013 /nfs/dbraw/zinc/77/60/13/786776013.db2.gz SRPIEFMVCIRFOF-CYBMUJFWSA-N 1 1 343.387 0.529 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001073616263 786776022 /nfs/dbraw/zinc/77/60/22/786776022.db2.gz SRPIEFMVCIRFOF-CYBMUJFWSA-N 1 1 343.387 0.529 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001073617600 786779025 /nfs/dbraw/zinc/77/90/25/786779025.db2.gz IPFDZIJJDYNQAL-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001073617600 786779032 /nfs/dbraw/zinc/77/90/32/786779032.db2.gz IPFDZIJJDYNQAL-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@H]21 ZINC001074377456 786798269 /nfs/dbraw/zinc/79/82/69/786798269.db2.gz LHQGVARPIUDEID-CABCVRRESA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@H]21 ZINC001074377456 786798277 /nfs/dbraw/zinc/79/82/77/786798277.db2.gz LHQGVARPIUDEID-CABCVRRESA-N 1 1 332.404 0.977 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073630372 786814694 /nfs/dbraw/zinc/81/46/94/786814694.db2.gz TYQGVKOSAXFPJJ-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001073640161 786846890 /nfs/dbraw/zinc/84/68/90/786846890.db2.gz XZDRMCWTRPMKHX-CYBMUJFWSA-N 1 1 344.337 0.899 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001073640161 786846897 /nfs/dbraw/zinc/84/68/97/786846897.db2.gz XZDRMCWTRPMKHX-CYBMUJFWSA-N 1 1 344.337 0.899 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001073651734 786874181 /nfs/dbraw/zinc/87/41/81/786874181.db2.gz FAYJNYFUQCMFOI-CQSZACIVSA-N 1 1 342.403 0.277 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001073651734 786874187 /nfs/dbraw/zinc/87/41/87/786874187.db2.gz FAYJNYFUQCMFOI-CQSZACIVSA-N 1 1 342.403 0.277 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccnn2CCOC)C1 ZINC001073651927 786875086 /nfs/dbraw/zinc/87/50/86/786875086.db2.gz KYDRETPWOILMSC-HNNXBMFYSA-N 1 1 336.436 0.926 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074405947 786881573 /nfs/dbraw/zinc/88/15/73/786881573.db2.gz YNSXFXXMHSJBQR-HZPDHXFCSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074405947 786881582 /nfs/dbraw/zinc/88/15/82/786881582.db2.gz YNSXFXXMHSJBQR-HZPDHXFCSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001073664726 786913333 /nfs/dbraw/zinc/91/33/33/786913333.db2.gz NRPROBKEJFBOHT-CVEARBPZSA-N 1 1 325.453 0.490 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2COC)C1 ZINC001073667226 786915736 /nfs/dbraw/zinc/91/57/36/786915736.db2.gz AADCYWCBCDKSGR-AWEZNQCLSA-N 1 1 334.420 0.411 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3ccccc3c2O)C1 ZINC001073674933 786942865 /nfs/dbraw/zinc/94/28/65/786942865.db2.gz SEIFXOUDIDHWHJ-AWEZNQCLSA-N 1 1 339.395 0.982 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3ccccc3c2O)C1 ZINC001073674933 786942871 /nfs/dbraw/zinc/94/28/71/786942871.db2.gz SEIFXOUDIDHWHJ-AWEZNQCLSA-N 1 1 339.395 0.982 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073678631 786951537 /nfs/dbraw/zinc/95/15/37/786951537.db2.gz AURLIYDQYYBWJD-GFCCVEGCSA-N 1 1 330.388 0.583 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001073694186 786983551 /nfs/dbraw/zinc/98/35/51/786983551.db2.gz XCWTZFFQNJRENA-AWEZNQCLSA-N 1 1 330.392 0.521 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001073709925 787020089 /nfs/dbraw/zinc/02/00/89/787020089.db2.gz LXSLZLWBQJQAEZ-HZPDHXFCSA-N 1 1 345.447 0.379 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001073759898 787144993 /nfs/dbraw/zinc/14/49/93/787144993.db2.gz LPICHNYBEMQDQY-KRWDZBQOSA-N 1 1 343.427 0.558 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001073759898 787144997 /nfs/dbraw/zinc/14/49/97/787144997.db2.gz LPICHNYBEMQDQY-KRWDZBQOSA-N 1 1 343.427 0.558 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001073764626 787157461 /nfs/dbraw/zinc/15/74/61/787157461.db2.gz IXQCICWISFQTCX-DOTOQJQBSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001073764626 787157465 /nfs/dbraw/zinc/15/74/65/787157465.db2.gz IXQCICWISFQTCX-DOTOQJQBSA-N 1 1 330.432 0.594 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001073778721 787188797 /nfs/dbraw/zinc/18/87/97/787188797.db2.gz HOMZROKMCCXBIJ-HUUCEWRRSA-N 1 1 348.451 0.409 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3cc(C)cnc23)C1 ZINC001073795632 787217103 /nfs/dbraw/zinc/21/71/03/787217103.db2.gz CYNGJMBDAWDOFP-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3cc(C)cnc23)C1 ZINC001073795632 787217109 /nfs/dbraw/zinc/21/71/09/787217109.db2.gz CYNGJMBDAWDOFP-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001073804167 787233577 /nfs/dbraw/zinc/23/35/77/787233577.db2.gz FUBVZEGVLIYWIN-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nncn3c2)C1 ZINC001073818735 787258822 /nfs/dbraw/zinc/25/88/22/787258822.db2.gz NNCRELUVOGVSLJ-HNNXBMFYSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2[nH]ncc2Br)C1 ZINC001073821349 787267847 /nfs/dbraw/zinc/26/78/47/787267847.db2.gz HQARORWVHNMYEN-JTQLQIEISA-N 1 1 341.209 0.626 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2[nH]ncc2Br)C1 ZINC001073821349 787267852 /nfs/dbraw/zinc/26/78/52/787267852.db2.gz HQARORWVHNMYEN-JTQLQIEISA-N 1 1 341.209 0.626 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)[C@@H]1C ZINC001074566960 787276370 /nfs/dbraw/zinc/27/63/70/787276370.db2.gz GFBDWFFBWNOOIC-NHCYSSNCSA-N 1 1 343.391 0.308 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2CC(F)(F)F)[C@@H]1C ZINC001074567847 787281270 /nfs/dbraw/zinc/28/12/70/787281270.db2.gz AFBBVDLKCFPRDP-GUBZILKMSA-N 1 1 345.329 0.474 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CCOCC2)[C@@H]1C ZINC001074568447 787281881 /nfs/dbraw/zinc/28/18/81/787281881.db2.gz OVUYAAVVFQDQDW-DYEKYZERSA-N 1 1 347.423 0.263 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001074582267 787323148 /nfs/dbraw/zinc/32/31/48/787323148.db2.gz NIGRWKLQQFCKFR-HNNXBMFYSA-N 1 1 347.459 0.211 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074582582 787324540 /nfs/dbraw/zinc/32/45/40/787324540.db2.gz YMANQOSNQCCEIQ-UHFFFAOYSA-N 1 1 344.415 0.075 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001073859746 787379979 /nfs/dbraw/zinc/37/99/79/787379979.db2.gz RWTJPIYRUNGXCB-KBPBESRZSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001073859746 787379984 /nfs/dbraw/zinc/37/99/84/787379984.db2.gz RWTJPIYRUNGXCB-KBPBESRZSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001073859746 787379992 /nfs/dbraw/zinc/37/99/92/787379992.db2.gz RWTJPIYRUNGXCB-KBPBESRZSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001073859746 787379999 /nfs/dbraw/zinc/37/99/99/787379999.db2.gz RWTJPIYRUNGXCB-KBPBESRZSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001073859746 787380004 /nfs/dbraw/zinc/38/00/04/787380004.db2.gz RWTJPIYRUNGXCB-KBPBESRZSA-N 1 1 333.436 0.693 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)nc1 ZINC001073865334 787399164 /nfs/dbraw/zinc/39/91/64/787399164.db2.gz GEATVYOGPBDRAK-DLBZAZTESA-N 1 1 343.427 0.920 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2COc3ccccc3O2)C1 ZINC001073876565 787419697 /nfs/dbraw/zinc/41/96/97/787419697.db2.gz HCHQCVORIXGOJZ-RHSMWYFYSA-N 1 1 330.384 0.667 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COc3ccccc3O2)C1 ZINC001073876565 787419701 /nfs/dbraw/zinc/41/97/01/787419701.db2.gz HCHQCVORIXGOJZ-RHSMWYFYSA-N 1 1 330.384 0.667 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001073883451 787430304 /nfs/dbraw/zinc/43/03/04/787430304.db2.gz OBQPDUHHPMJXBN-OAHLLOKOSA-N 1 1 346.431 0.497 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001073889323 787444461 /nfs/dbraw/zinc/44/44/61/787444461.db2.gz NUNNSRQSDXJSQL-CQSZACIVSA-N 1 1 327.388 0.720 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001073889323 787444466 /nfs/dbraw/zinc/44/44/66/787444466.db2.gz NUNNSRQSDXJSQL-CQSZACIVSA-N 1 1 327.388 0.720 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001073892183 787454665 /nfs/dbraw/zinc/45/46/65/787454665.db2.gz XSNYCWKPFKRSLE-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001073892183 787454668 /nfs/dbraw/zinc/45/46/68/787454668.db2.gz XSNYCWKPFKRSLE-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001074634726 787463741 /nfs/dbraw/zinc/46/37/41/787463741.db2.gz LCORZDHWHVJFRI-MRXNPFEDSA-N 1 1 349.475 0.600 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001073896655 787467566 /nfs/dbraw/zinc/46/75/66/787467566.db2.gz XISNGASUWUTTFK-ZDUSSCGKSA-N 1 1 330.388 0.025 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001073896655 787467570 /nfs/dbraw/zinc/46/75/70/787467570.db2.gz XISNGASUWUTTFK-ZDUSSCGKSA-N 1 1 330.388 0.025 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001073899317 787474731 /nfs/dbraw/zinc/47/47/31/787474731.db2.gz QGQABLFPLFNMIR-CQSZACIVSA-N 1 1 341.415 0.731 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001073899317 787474735 /nfs/dbraw/zinc/47/47/35/787474735.db2.gz QGQABLFPLFNMIR-CQSZACIVSA-N 1 1 341.415 0.731 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001073899515 787475751 /nfs/dbraw/zinc/47/57/51/787475751.db2.gz VWWOSKVYEVTLOP-JKSUJKDBSA-N 1 1 345.447 0.379 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001074731428 787721873 /nfs/dbraw/zinc/72/18/73/787721873.db2.gz QXJSMSQZWXBJMJ-KGLIPLIRSA-N 1 1 336.436 0.100 20 30 ECEDMO N#CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccn[nH]3)cc2)CC1 ZINC001074111476 787901587 /nfs/dbraw/zinc/90/15/87/787901587.db2.gz TVKCDVCMDSRCRU-UHFFFAOYSA-N 1 1 338.415 0.981 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCCNC2=O)C3)c1 ZINC001072592338 788387100 /nfs/dbraw/zinc/38/71/00/788387100.db2.gz AHKSDNMORSRBGM-AWEZNQCLSA-N 1 1 327.388 0.313 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCCNC2=O)C3)[nH]1 ZINC001072635417 788475938 /nfs/dbraw/zinc/47/59/38/788475938.db2.gz QSLZQHXOJGIEIG-AWEZNQCLSA-N 1 1 327.388 0.313 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](C)C2)c1 ZINC001072706723 788625322 /nfs/dbraw/zinc/62/53/22/788625322.db2.gz QJBRYIRPJBEMFX-YOEHRIQHSA-N 1 1 342.443 0.980 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001074990314 788676733 /nfs/dbraw/zinc/67/67/33/788676733.db2.gz DVVSNQIZLSCZFK-HOTGVXAUSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001075090714 788892005 /nfs/dbraw/zinc/89/20/05/788892005.db2.gz JYSZINSFQIITCY-HOTGVXAUSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCN3c3ncccn3)C2)C1 ZINC001072827634 788905320 /nfs/dbraw/zinc/90/53/20/788905320.db2.gz RZPLMLXDAAWBDX-OAHLLOKOSA-N 1 1 325.416 0.613 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075260731 789129436 /nfs/dbraw/zinc/12/94/36/789129436.db2.gz HJNBMCDLCSDGHR-NEPJUHHUSA-N 1 1 342.407 0.298 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C3)C1 ZINC001072963987 789174509 /nfs/dbraw/zinc/17/45/09/789174509.db2.gz DXIRYEKRITYVEC-CYBMUJFWSA-N 1 1 331.416 0.682 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cnon4)C3)C2)C1=O ZINC001073068219 789383106 /nfs/dbraw/zinc/38/31/06/789383106.db2.gz GGWWZEAVGYIABA-CYBMUJFWSA-N 1 1 331.376 0.004 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)Cc4ncc[nH]4)C3)C2)C1=O ZINC001073079034 789403141 /nfs/dbraw/zinc/40/31/41/789403141.db2.gz FUWJTCABBNTRSO-AWEZNQCLSA-N 1 1 343.431 0.273 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(N)=O)C2 ZINC001073112350 789461781 /nfs/dbraw/zinc/46/17/81/789461781.db2.gz YOWBMWUAAIMFMD-CYBMUJFWSA-N 1 1 344.415 0.668 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(N)=O)C2 ZINC001073112350 789461784 /nfs/dbraw/zinc/46/17/84/789461784.db2.gz YOWBMWUAAIMFMD-CYBMUJFWSA-N 1 1 344.415 0.668 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001073260366 789669373 /nfs/dbraw/zinc/66/93/73/789669373.db2.gz HWKCADPQJXMGMC-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cccc(-n4cnnn4)c3)C2)C1 ZINC001073417966 789811642 /nfs/dbraw/zinc/81/16/42/789811642.db2.gz GFJXTBXWLWOGHZ-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3cncc(C#N)n3)C(C)(C)C2)C1 ZINC001069545317 789890259 /nfs/dbraw/zinc/89/02/59/789890259.db2.gz ILPKREGPAOMOIU-UONOGXRCSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3cncc(C#N)n3)C(C)(C)C2)C1 ZINC001069545317 789890266 /nfs/dbraw/zinc/89/02/66/789890266.db2.gz ILPKREGPAOMOIU-UONOGXRCSA-N 1 1 344.419 0.328 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069569102 789907094 /nfs/dbraw/zinc/90/70/94/789907094.db2.gz AGTGGAKPGXATAX-ZDUSSCGKSA-N 1 1 339.403 0.624 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](Nc3ccnc(C#N)n3)C(C)(C)C2)C1 ZINC001069572085 789908187 /nfs/dbraw/zinc/90/81/87/789908187.db2.gz MOJVCKRVANCPLF-CHWSQXEVSA-N 1 1 328.420 0.371 20 30 ECEDMO Cc1cc(C#N)nc(NC2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001069719264 789986419 /nfs/dbraw/zinc/98/64/19/789986419.db2.gz IQSKDSBYDCZMNL-ZALBZXLWSA-N 1 1 344.419 0.389 20 30 ECEDMO Cc1cc(C#N)nc(NC2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001069719264 789986423 /nfs/dbraw/zinc/98/64/23/789986423.db2.gz IQSKDSBYDCZMNL-ZALBZXLWSA-N 1 1 344.419 0.389 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2=CCN(c3ccncc3C#N)CC2)C1 ZINC001069815645 790050328 /nfs/dbraw/zinc/05/03/28/790050328.db2.gz RNVPLIIHJIZXJA-KRWDZBQOSA-N 1 1 341.415 0.537 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2=CCN(c3ccncc3C#N)CC2)C1 ZINC001069815645 790050331 /nfs/dbraw/zinc/05/03/31/790050331.db2.gz RNVPLIIHJIZXJA-KRWDZBQOSA-N 1 1 341.415 0.537 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 ZINC001069830831 790064761 /nfs/dbraw/zinc/06/47/61/790064761.db2.gz HPAFUUXKHUSJAJ-XJKSGUPXSA-N 1 1 340.431 0.799 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 ZINC001069831191 790064783 /nfs/dbraw/zinc/06/47/83/790064783.db2.gz YPWLWUQYIKLQKN-BBRMVZONSA-N 1 1 340.431 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CCC)CC2 ZINC001069863539 790118071 /nfs/dbraw/zinc/11/80/71/790118071.db2.gz WTXOSEBZZPCXGG-INIZCTEOSA-N 1 1 329.448 0.823 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CCC)CC2 ZINC001069863539 790118077 /nfs/dbraw/zinc/11/80/77/790118077.db2.gz WTXOSEBZZPCXGG-INIZCTEOSA-N 1 1 329.448 0.823 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)c2C1 ZINC001069864468 790120285 /nfs/dbraw/zinc/12/02/85/790120285.db2.gz REPWOOLHNMPGEX-DLBZAZTESA-N 1 1 341.459 0.965 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(F)nc2)[C@@H](n2ccnn2)C1 ZINC001069902756 790172000 /nfs/dbraw/zinc/17/20/00/790172000.db2.gz NGJTUCZZZJAFHT-KGLIPLIRSA-N 1 1 328.351 0.491 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)nc2)[C@@H](n2ccnn2)C1 ZINC001069902756 790172002 /nfs/dbraw/zinc/17/20/02/790172002.db2.gz NGJTUCZZZJAFHT-KGLIPLIRSA-N 1 1 328.351 0.491 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)on2)[C@@H](n2ccnn2)C1 ZINC001069903758 790173596 /nfs/dbraw/zinc/17/35/96/790173596.db2.gz OLMPSEKTFKCWOG-CABCVRRESA-N 1 1 328.376 0.182 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069904739 790173960 /nfs/dbraw/zinc/17/39/60/790173960.db2.gz OBCWRRGNRHWZPO-KGLIPLIRSA-N 1 1 329.408 0.849 20 30 ECEDMO C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907894 790176379 /nfs/dbraw/zinc/17/63/79/790176379.db2.gz UYRVQHIWKHUBAK-GLQYFDAESA-N 1 1 345.382 0.881 20 30 ECEDMO CC(C)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911642 790180623 /nfs/dbraw/zinc/18/06/23/790180623.db2.gz DAHAJQBGIBTHBZ-CABCVRRESA-N 1 1 327.392 0.789 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911675 790180805 /nfs/dbraw/zinc/18/08/05/790180805.db2.gz HGNYMRZBBRFFLN-CABCVRRESA-N 1 1 325.376 0.709 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911675 790180808 /nfs/dbraw/zinc/18/08/08/790180808.db2.gz HGNYMRZBBRFFLN-CABCVRRESA-N 1 1 325.376 0.709 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069918597 790189054 /nfs/dbraw/zinc/18/90/54/790189054.db2.gz YUTRHTCRCSQMMC-CVEARBPZSA-N 1 1 343.435 0.562 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928949 790201531 /nfs/dbraw/zinc/20/15/31/790201531.db2.gz NBOZAUGAFJIPCS-ZACQAIPSSA-N 1 1 344.463 0.538 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069929702 790201841 /nfs/dbraw/zinc/20/18/41/790201841.db2.gz LRZJUKMMKQTBHS-YVSFHVDLSA-N 1 1 345.447 0.704 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069929702 790201845 /nfs/dbraw/zinc/20/18/45/790201845.db2.gz LRZJUKMMKQTBHS-YVSFHVDLSA-N 1 1 345.447 0.704 20 30 ECEDMO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931621 790204527 /nfs/dbraw/zinc/20/45/27/790204527.db2.gz LSJWZVKHCNNYQL-HZMVEIRTSA-N 1 1 346.479 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)C2CC2)CCOCC1 ZINC001069932348 790205086 /nfs/dbraw/zinc/20/50/86/790205086.db2.gz ZHAZVRWGVJAUCS-HNNXBMFYSA-N 1 1 333.432 0.276 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)C2CC2)CCOCC1 ZINC001069932348 790205089 /nfs/dbraw/zinc/20/50/89/790205089.db2.gz ZHAZVRWGVJAUCS-HNNXBMFYSA-N 1 1 333.432 0.276 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@@H](n2ccnn2)C1 ZINC001069938812 790213564 /nfs/dbraw/zinc/21/35/64/790213564.db2.gz IRTCWKGFXMBPGP-ZBFHGGJFSA-N 1 1 341.419 0.563 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@@H](n2ccnn2)C1 ZINC001069938812 790213568 /nfs/dbraw/zinc/21/35/68/790213568.db2.gz IRTCWKGFXMBPGP-ZBFHGGJFSA-N 1 1 341.419 0.563 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001069945787 790224656 /nfs/dbraw/zinc/22/46/56/790224656.db2.gz WLRPSLIYVQFHHA-CABCVRRESA-N 1 1 328.376 0.182 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069962277 790246312 /nfs/dbraw/zinc/24/63/12/790246312.db2.gz NYYMDBIQJWTSFK-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccnc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001069966087 790252912 /nfs/dbraw/zinc/25/29/12/790252912.db2.gz VJWAKLQMAWQQEG-KGLIPLIRSA-N 1 1 328.376 0.523 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001069966087 790252915 /nfs/dbraw/zinc/25/29/15/790252915.db2.gz VJWAKLQMAWQQEG-KGLIPLIRSA-N 1 1 328.376 0.523 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn3cccnc3n2)[C@@H](n2ccnn2)C1 ZINC001069968372 790255913 /nfs/dbraw/zinc/25/59/13/790255913.db2.gz WOOUKWMREJYWNO-OCCSQVGLSA-N 1 1 338.375 0.162 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cn3cccnc3n2)[C@@H](n2ccnn2)C1 ZINC001069968372 790255917 /nfs/dbraw/zinc/25/59/17/790255917.db2.gz WOOUKWMREJYWNO-OCCSQVGLSA-N 1 1 338.375 0.162 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068859540 791281121 /nfs/dbraw/zinc/28/11/21/791281121.db2.gz STKLMATZODLNSV-CABCVRRESA-N 1 1 333.432 0.084 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2 ZINC001068862553 791291681 /nfs/dbraw/zinc/29/16/81/791291681.db2.gz FGJBXSITXSIGRN-HNNXBMFYSA-N 1 1 342.399 0.091 20 30 ECEDMO C[C@@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068871220 791313973 /nfs/dbraw/zinc/31/39/73/791313973.db2.gz OWICPZQHXPBTHY-KGLIPLIRSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001068873796 791318465 /nfs/dbraw/zinc/31/84/65/791318465.db2.gz HRINLNLIGIZDIK-GJZGRUSLSA-N 1 1 333.432 0.228 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@@H+](C)C1CCC1)CO2 ZINC001068906320 791389134 /nfs/dbraw/zinc/38/91/34/791389134.db2.gz SWNAXZWZXBCDQB-HNNXBMFYSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119572 791720960 /nfs/dbraw/zinc/72/09/60/791720960.db2.gz VKZQCOZUKQGYFF-ZIAGYGMSSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001066675816 791969968 /nfs/dbraw/zinc/96/99/68/791969968.db2.gz UFHUBNJQSXQREY-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNc3nccnc3C#N)C2)CC[N@H+]1C ZINC001066686659 791987660 /nfs/dbraw/zinc/98/76/60/791987660.db2.gz XDMRJNIKFDNABO-HZSPNIEDSA-N 1 1 344.419 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1cnoc1 ZINC001067709310 792165539 /nfs/dbraw/zinc/16/55/39/792165539.db2.gz NAXWBKBENJAOEP-INIZCTEOSA-N 1 1 346.431 0.622 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1cnoc1 ZINC001067709310 792165550 /nfs/dbraw/zinc/16/55/50/792165550.db2.gz NAXWBKBENJAOEP-INIZCTEOSA-N 1 1 346.431 0.622 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(Nc2ccc(C#N)nc2)C1 ZINC001066891344 792294923 /nfs/dbraw/zinc/29/49/23/792294923.db2.gz XYUORIAEHIOJIT-SJLPKXTDSA-N 1 1 343.431 0.813 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(Nc3ccnc(C#N)n3)C2)C1 ZINC001066906012 792339631 /nfs/dbraw/zinc/33/96/31/792339631.db2.gz IGLFODXZUWBCFP-DYVFJYSZSA-N 1 1 344.419 0.065 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3ncc(C#N)cc3F)C2)C1 ZINC001067838773 792352029 /nfs/dbraw/zinc/35/20/29/792352029.db2.gz YKXBDGIEQKTYRT-HGMXIMQMSA-N 1 1 347.394 0.730 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3ncc(C#N)cc3F)C2)C1 ZINC001067838773 792352041 /nfs/dbraw/zinc/35/20/41/792352041.db2.gz YKXBDGIEQKTYRT-HGMXIMQMSA-N 1 1 347.394 0.730 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CC(CNc3cnc(C#N)cn3)C2)C1 ZINC001067856790 792381048 /nfs/dbraw/zinc/38/10/48/792381048.db2.gz MNCJJPNPBAQZIW-HSBZDZAISA-N 1 1 328.420 0.997 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CC(CNc2ccc(C#N)nn2)C1 ZINC001067873480 792404333 /nfs/dbraw/zinc/40/43/33/792404333.db2.gz IXQNUTUHUHCKCH-UHFFFAOYSA-N 1 1 325.376 0.860 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CC(CNc3nccnc3C#N)C2)CC[N@H+]1C ZINC001067894220 792434113 /nfs/dbraw/zinc/43/41/13/792434113.db2.gz VALYWEPNQQQBNW-BLYZHGLHSA-N 1 1 328.420 0.995 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC[C@H]1C ZINC001067981007 792538789 /nfs/dbraw/zinc/53/87/89/792538789.db2.gz VBJOKAJUGDLUNG-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1ccc(C#N)[nH]1 ZINC001067008204 792563303 /nfs/dbraw/zinc/56/33/03/792563303.db2.gz ZNTHNKKEOUIMCH-OAHLLOKOSA-N 1 1 331.420 0.901 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001067009225 792565828 /nfs/dbraw/zinc/56/58/28/792565828.db2.gz MPEQEKUXVKNDNW-PBHICJAKSA-N 1 1 325.453 0.715 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001068099491 792669016 /nfs/dbraw/zinc/66/90/16/792669016.db2.gz UMVJWFRJAMUEAT-KBPBESRZSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001068099493 792669259 /nfs/dbraw/zinc/66/92/59/792669259.db2.gz UMVJWFRJAMUEAT-UONOGXRCSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cncc(C#N)n3)CC2(C)C)C1 ZINC001068102691 792676089 /nfs/dbraw/zinc/67/60/89/792676089.db2.gz VWMIWGUOACSYKO-ZIAGYGMSSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cncc(C#N)n3)CC2(C)C)C1 ZINC001068102691 792676095 /nfs/dbraw/zinc/67/60/95/792676095.db2.gz VWMIWGUOACSYKO-ZIAGYGMSSA-N 1 1 344.419 0.010 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001068112370 792691935 /nfs/dbraw/zinc/69/19/35/792691935.db2.gz PQOHDTPYOXZDOQ-CQSZACIVSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC1(C)C ZINC001068112541 792692248 /nfs/dbraw/zinc/69/22/48/792692248.db2.gz VCWZSERWPRRAGF-CYBMUJFWSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2cncc(C#N)n2)[C@@H](C)C1 ZINC001067109172 792705937 /nfs/dbraw/zinc/70/59/37/792705937.db2.gz QSYGXDKETNQAEK-FZMZJTMJSA-N 1 1 325.376 0.812 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)CC[N@H+]1C ZINC001068207562 792828301 /nfs/dbraw/zinc/82/83/01/792828301.db2.gz SKKNARGBQRJULW-BTAUDXDXSA-N 1 1 340.431 0.487 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001068209443 792832118 /nfs/dbraw/zinc/83/21/18/792832118.db2.gz ZTAMBENCPCLCKK-OKYOBFRVSA-N 1 1 349.438 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001068209443 792832125 /nfs/dbraw/zinc/83/21/25/792832125.db2.gz ZTAMBENCPCLCKK-OKYOBFRVSA-N 1 1 349.438 0.849 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1C ZINC001067401363 793101461 /nfs/dbraw/zinc/10/14/61/793101461.db2.gz MWNNRNRJNADQBR-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001067420886 793129458 /nfs/dbraw/zinc/12/94/58/793129458.db2.gz PNTCDSHCDGIZHB-GXTWGEPZSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1C ZINC001067421669 793130594 /nfs/dbraw/zinc/13/05/94/793130594.db2.gz YVLPQAZHRPHSQF-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CC[N@H+](C)CC ZINC001067430043 793145563 /nfs/dbraw/zinc/14/55/63/793145563.db2.gz ARSIDTKSFVORLJ-HNNXBMFYSA-N 1 1 325.453 0.673 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068395296 793203032 /nfs/dbraw/zinc/20/30/32/793203032.db2.gz WOWOXSRLDHBDAC-INIZCTEOSA-N 1 1 347.459 0.427 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001068398703 793214203 /nfs/dbraw/zinc/21/42/03/793214203.db2.gz BARDPGXSXLCTRI-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001267487087 837548882 /nfs/dbraw/zinc/54/88/82/837548882.db2.gz AJYDRNMFCKDUBG-NVXWUHKLSA-N 1 1 348.491 0.437 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)CC)c1ccccc1 ZINC001267516259 837609195 /nfs/dbraw/zinc/60/91/95/837609195.db2.gz AWXZTKZGWYJPOF-CQSZACIVSA-N 1 1 332.404 0.855 20 30 ECEDMO C=CCOCC(=O)N(CCC)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267538942 837721667 /nfs/dbraw/zinc/72/16/67/837721667.db2.gz QOEXNDJTFZDKHQ-KBPBESRZSA-N 1 1 337.420 0.307 20 30 ECEDMO C=CCOCC(=O)N(CCC)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267538942 837721674 /nfs/dbraw/zinc/72/16/74/837721674.db2.gz QOEXNDJTFZDKHQ-KBPBESRZSA-N 1 1 337.420 0.307 20 30 ECEDMO CCCN(C(=O)CSCC#N)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001267539692 837722741 /nfs/dbraw/zinc/72/27/41/837722741.db2.gz UEJUZLNXIBOQOJ-OLZOCXBDSA-N 1 1 326.466 0.691 20 30 ECEDMO CCCN(C(=O)CSCC#N)[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001267539692 837722749 /nfs/dbraw/zinc/72/27/49/837722749.db2.gz UEJUZLNXIBOQOJ-OLZOCXBDSA-N 1 1 326.466 0.691 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc(F)nc2)C1 ZINC001267556002 837761653 /nfs/dbraw/zinc/76/16/53/837761653.db2.gz RQGWUQZMKODLHF-ZDUSSCGKSA-N 1 1 334.395 0.965 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001267558386 837765644 /nfs/dbraw/zinc/76/56/44/837765644.db2.gz XYIWKISESMIQGN-HUUCEWRRSA-N 1 1 335.452 0.765 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001267561245 837773662 /nfs/dbraw/zinc/77/36/62/837773662.db2.gz QAVWOERZTLYBCH-UNEWFSDZSA-N 1 1 348.447 0.269 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2C)C1 ZINC001267565264 837780551 /nfs/dbraw/zinc/78/05/51/837780551.db2.gz ZBMDDZWZBMCOJM-CVEARBPZSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2C)C1 ZINC001267565264 837780569 /nfs/dbraw/zinc/78/05/69/837780569.db2.gz ZBMDDZWZBMCOJM-CVEARBPZSA-N 1 1 336.480 0.601 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@@H]2CC[N@H+](CCOCCO)C2)c1 ZINC001267565767 837783130 /nfs/dbraw/zinc/78/31/30/837783130.db2.gz UHZYGHQLKTYKNJ-MRXNPFEDSA-N 1 1 331.416 0.514 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cn2nccc2C)C1 ZINC001267567148 837786768 /nfs/dbraw/zinc/78/67/68/837786768.db2.gz LTHJVFUZHHMXGE-HNNXBMFYSA-N 1 1 333.436 0.322 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001267572896 837811403 /nfs/dbraw/zinc/81/14/03/837811403.db2.gz ANLUBIAXARKHKD-SJORKVTESA-N 1 1 337.464 0.137 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc(C)on1 ZINC001266255097 835561143 /nfs/dbraw/zinc/56/11/43/835561143.db2.gz GTZSOEPYANZMQD-NSHDSACASA-N 1 1 337.380 0.045 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C)on1 ZINC001266255097 835561148 /nfs/dbraw/zinc/56/11/48/835561148.db2.gz GTZSOEPYANZMQD-NSHDSACASA-N 1 1 337.380 0.045 20 30 ECEDMO COCC#CCN1CC[NH+](CCCNC(=O)C(=O)C(C)(C)C)CC1 ZINC001266260263 835570247 /nfs/dbraw/zinc/57/02/47/835570247.db2.gz QQHQDEIWZLRJNQ-UHFFFAOYSA-N 1 1 337.464 0.375 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1[nH]ccc1C ZINC001266271876 835593790 /nfs/dbraw/zinc/59/37/90/835593790.db2.gz NIJAVEPCMNBBKO-LBPRGKRZSA-N 1 1 335.408 0.385 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1[nH]ccc1C ZINC001266271876 835593794 /nfs/dbraw/zinc/59/37/94/835593794.db2.gz NIJAVEPCMNBBKO-LBPRGKRZSA-N 1 1 335.408 0.385 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)c2c[nH]c(=O)cc2OC)CC1 ZINC001266273357 835595736 /nfs/dbraw/zinc/59/57/36/835595736.db2.gz JPXKOFRJTROMIX-UHFFFAOYSA-N 1 1 334.420 0.719 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)CCNC(=O)CNC(=O)N1CCCC1 ZINC001266275271 835598665 /nfs/dbraw/zinc/59/86/65/835598665.db2.gz SSUYDLJUCALBIN-UHFFFAOYSA-N 1 1 342.443 0.892 20 30 ECEDMO C[N@H+](CC#Cc1ccccc1)CCNC(=O)CNC(=O)N1CCCC1 ZINC001266275271 835598670 /nfs/dbraw/zinc/59/86/70/835598670.db2.gz SSUYDLJUCALBIN-UHFFFAOYSA-N 1 1 342.443 0.892 20 30 ECEDMO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1)N1C(=O)CCC1=O ZINC001266280557 835608854 /nfs/dbraw/zinc/60/88/54/835608854.db2.gz JZQCUNDYCUSGDF-ZDUSSCGKSA-N 1 1 342.399 0.644 20 30 ECEDMO CC(=O)CCCC(=O)NC1(C2CC[NH+](CC(=O)NCC#N)CC2)CC1 ZINC001279345587 835609460 /nfs/dbraw/zinc/60/94/60/835609460.db2.gz JRMVLMXWJQFQIP-UHFFFAOYSA-N 1 1 348.447 0.746 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccnc2ccnn21 ZINC001266282936 835612368 /nfs/dbraw/zinc/61/23/68/835612368.db2.gz XVRRQOUIJKWZEK-LBPRGKRZSA-N 1 1 330.392 0.082 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccnc2ccnn21 ZINC001266282936 835612371 /nfs/dbraw/zinc/61/23/71/835612371.db2.gz XVRRQOUIJKWZEK-LBPRGKRZSA-N 1 1 330.392 0.082 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cn(C)nc2CC)C1=O ZINC001266286382 835623751 /nfs/dbraw/zinc/62/37/51/835623751.db2.gz KBOQHNWZOXFNFW-OAHLLOKOSA-N 1 1 333.436 0.431 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cn(C)nc2CC)C1=O ZINC001266286382 835623756 /nfs/dbraw/zinc/62/37/56/835623756.db2.gz KBOQHNWZOXFNFW-OAHLLOKOSA-N 1 1 333.436 0.431 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@](C)(NC(C)=O)C(C)C)CC1 ZINC001266296886 835645036 /nfs/dbraw/zinc/64/50/36/835645036.db2.gz GQFYPCNHEDNZBK-GOSISDBHSA-N 1 1 336.480 0.294 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001266318958 835687134 /nfs/dbraw/zinc/68/71/34/835687134.db2.gz FBCFRGLTRDOTFI-INIZCTEOSA-N 1 1 345.447 0.354 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001266318958 835687139 /nfs/dbraw/zinc/68/71/39/835687139.db2.gz FBCFRGLTRDOTFI-INIZCTEOSA-N 1 1 345.447 0.354 20 30 ECEDMO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC001266320138 835690465 /nfs/dbraw/zinc/69/04/65/835690465.db2.gz ZQGNQUASWACEFB-CHWSQXEVSA-N 1 1 334.338 0.530 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001266321823 835695606 /nfs/dbraw/zinc/69/56/06/835695606.db2.gz WZPWHOGPKYFCHO-MPGHIAIKSA-N 1 1 333.432 0.414 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001266321823 835695612 /nfs/dbraw/zinc/69/56/12/835695612.db2.gz WZPWHOGPKYFCHO-MPGHIAIKSA-N 1 1 333.432 0.414 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](C)CCCO[C@H]2CCOC2)c1 ZINC001266324224 835700007 /nfs/dbraw/zinc/70/00/07/835700007.db2.gz YTBMEJVHJOKPKU-KRWDZBQOSA-N 1 1 331.416 0.920 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnn2ccccc12 ZINC001266340343 835725415 /nfs/dbraw/zinc/72/54/15/835725415.db2.gz TVMJDNLSIREMTC-ZDUSSCGKSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnn2ccccc12 ZINC001266340343 835725418 /nfs/dbraw/zinc/72/54/18/835725418.db2.gz TVMJDNLSIREMTC-ZDUSSCGKSA-N 1 1 329.404 0.687 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)C2CCCCC2)C1 ZINC001266346656 835737654 /nfs/dbraw/zinc/73/76/54/835737654.db2.gz FRYHZWGTXYKRKF-QGZVFWFLSA-N 1 1 349.475 0.913 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)C2CCCCC2)C1 ZINC001266346656 835737667 /nfs/dbraw/zinc/73/76/67/835737667.db2.gz FRYHZWGTXYKRKF-QGZVFWFLSA-N 1 1 349.475 0.913 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NCC=C ZINC001266352395 835752594 /nfs/dbraw/zinc/75/25/94/835752594.db2.gz ZJNUEOXZVOLHNT-HNNXBMFYSA-N 1 1 327.428 0.949 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NCC=C ZINC001266352395 835752603 /nfs/dbraw/zinc/75/26/03/835752603.db2.gz ZJNUEOXZVOLHNT-HNNXBMFYSA-N 1 1 327.428 0.949 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C(C)(C)C(C)(F)F ZINC001266355062 835758650 /nfs/dbraw/zinc/75/86/50/835758650.db2.gz ZVNFMZALLLINJB-UHFFFAOYSA-N 1 1 348.394 0.728 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)C(C)(F)F ZINC001266355062 835758660 /nfs/dbraw/zinc/75/86/60/835758660.db2.gz ZVNFMZALLLINJB-UHFFFAOYSA-N 1 1 348.394 0.728 20 30 ECEDMO C[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)CN1C(=O)CCC1=O ZINC001266357032 835761536 /nfs/dbraw/zinc/76/15/36/835761536.db2.gz KYKRTYRMSKVQNC-UHFFFAOYSA-N 1 1 345.374 0.374 20 30 ECEDMO C[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)CN1C(=O)CCC1=O ZINC001266357032 835761545 /nfs/dbraw/zinc/76/15/45/835761545.db2.gz KYKRTYRMSKVQNC-UHFFFAOYSA-N 1 1 345.374 0.374 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266361904 835772506 /nfs/dbraw/zinc/77/25/06/835772506.db2.gz URVCVQFPKQTIHL-FUHWJXTLSA-N 1 1 337.423 0.757 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001266361904 835772515 /nfs/dbraw/zinc/77/25/15/835772515.db2.gz URVCVQFPKQTIHL-FUHWJXTLSA-N 1 1 337.423 0.757 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCCO2)CC1 ZINC001266365987 835778213 /nfs/dbraw/zinc/77/82/13/835778213.db2.gz KZIKHLXYKSFKRM-ZIAGYGMSSA-N 1 1 334.420 0.166 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)c2csnn2)CC1 ZINC001266388667 835798036 /nfs/dbraw/zinc/79/80/36/835798036.db2.gz MJUGNLWZZTXVSQ-UHFFFAOYSA-N 1 1 349.460 0.604 20 30 ECEDMO CC#CC[NH2+][C@@H](CNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1)C1CC1 ZINC001266417686 835822095 /nfs/dbraw/zinc/82/20/95/835822095.db2.gz HNQVFLRGTXOYRZ-INIZCTEOSA-N 1 1 332.448 0.883 20 30 ECEDMO C=CCCC(=O)N1CC[C@@]2(C1)C[N@H+](CCOCCOC)CCO2 ZINC001282773514 835827849 /nfs/dbraw/zinc/82/78/49/835827849.db2.gz CRDZAHJPPGGMOV-KRWDZBQOSA-N 1 1 326.437 0.919 20 30 ECEDMO C=CCCC(=O)N1CC[C@@]2(C1)C[N@@H+](CCOCCOC)CCO2 ZINC001282773514 835827854 /nfs/dbraw/zinc/82/78/54/835827854.db2.gz CRDZAHJPPGGMOV-KRWDZBQOSA-N 1 1 326.437 0.919 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001266455603 835857501 /nfs/dbraw/zinc/85/75/01/835857501.db2.gz IDWAUCUSKNRXFW-KGLIPLIRSA-N 1 1 348.451 0.290 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001266471171 835874095 /nfs/dbraw/zinc/87/40/95/835874095.db2.gz JUYVPGDEPBHRMX-LSDHHAIUSA-N 1 1 338.452 0.560 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(COC)on1 ZINC001266485513 835884921 /nfs/dbraw/zinc/88/49/21/835884921.db2.gz DFHCDYDVZQHKTN-CHWSQXEVSA-N 1 1 348.403 0.153 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(COC)on1 ZINC001266485513 835884930 /nfs/dbraw/zinc/88/49/30/835884930.db2.gz DFHCDYDVZQHKTN-CHWSQXEVSA-N 1 1 348.403 0.153 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001266488076 835887946 /nfs/dbraw/zinc/88/79/46/835887946.db2.gz BRJARGKEXDZBQS-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001266489014 835889587 /nfs/dbraw/zinc/88/95/87/835889587.db2.gz VFXPUNIKPZGSLH-CYBMUJFWSA-N 1 1 331.420 0.784 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001266489014 835889591 /nfs/dbraw/zinc/88/95/91/835889591.db2.gz VFXPUNIKPZGSLH-CYBMUJFWSA-N 1 1 331.420 0.784 20 30 ECEDMO CCCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1CCC[N@H+]1CC#CCOC ZINC001266497549 835897410 /nfs/dbraw/zinc/89/74/10/835897410.db2.gz HWLLFHDTIBBLEC-LSDHHAIUSA-N 1 1 338.452 0.444 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccoc2C)C1 ZINC001266499554 835900571 /nfs/dbraw/zinc/90/05/71/835900571.db2.gz CMALTDSCQXNJIP-ZDUSSCGKSA-N 1 1 348.403 0.652 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccoc2C)C1 ZINC001266499554 835900577 /nfs/dbraw/zinc/90/05/77/835900577.db2.gz CMALTDSCQXNJIP-ZDUSSCGKSA-N 1 1 348.403 0.652 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC001266513834 835924697 /nfs/dbraw/zinc/92/46/97/835924697.db2.gz HRGHDPYCEGLJCX-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001266528057 835943242 /nfs/dbraw/zinc/94/32/42/835943242.db2.gz IPBMGACKXXMVOP-STQMWFEESA-N 1 1 342.390 0.890 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001266528057 835943248 /nfs/dbraw/zinc/94/32/48/835943248.db2.gz IPBMGACKXXMVOP-STQMWFEESA-N 1 1 342.390 0.890 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001266534211 835952284 /nfs/dbraw/zinc/95/22/84/835952284.db2.gz XETOAVHDXNNFBN-BXUZGUMPSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001266534211 835952290 /nfs/dbraw/zinc/95/22/90/835952290.db2.gz XETOAVHDXNNFBN-BXUZGUMPSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001266537390 835956475 /nfs/dbraw/zinc/95/64/75/835956475.db2.gz KRGIUTUBTPVVAD-CQSZACIVSA-N 1 1 334.424 0.193 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001266540248 835961831 /nfs/dbraw/zinc/96/18/31/835961831.db2.gz SEXLLNMMYCFOFE-CQSZACIVSA-N 1 1 333.436 0.395 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001266549091 835971464 /nfs/dbraw/zinc/97/14/64/835971464.db2.gz NFTWAVBHFOVAMX-ZDUSSCGKSA-N 1 1 347.419 0.387 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001266549091 835971471 /nfs/dbraw/zinc/97/14/71/835971471.db2.gz NFTWAVBHFOVAMX-ZDUSSCGKSA-N 1 1 347.419 0.387 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001266549583 835973521 /nfs/dbraw/zinc/97/35/21/835973521.db2.gz YLBLUXOSHQLIDY-CQSZACIVSA-N 1 1 338.411 0.969 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266549631 835973701 /nfs/dbraw/zinc/97/37/01/835973701.db2.gz ZLZYYWFVGMAJCQ-ZIAGYGMSSA-N 1 1 336.436 0.673 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001266549561 835974002 /nfs/dbraw/zinc/97/40/02/835974002.db2.gz YAGARSDVHREYQY-LSDHHAIUSA-N 1 1 347.463 0.698 20 30 ECEDMO C=CCCOCC(=O)NC[C@@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001266551205 835977113 /nfs/dbraw/zinc/97/71/13/835977113.db2.gz NLZRAUNRDAEAHD-LSDHHAIUSA-N 1 1 344.477 0.452 20 30 ECEDMO CCC[N@H+](CCNC(=O)[C@@H]1CCC(F)(F)C1)CC(=O)NCC#N ZINC001266562789 835991733 /nfs/dbraw/zinc/99/17/33/835991733.db2.gz OLBJBCWDZLJUJX-GFCCVEGCSA-N 1 1 330.379 0.890 20 30 ECEDMO CCC[N@@H+](CCNC(=O)[C@@H]1CCC(F)(F)C1)CC(=O)NCC#N ZINC001266562789 835991743 /nfs/dbraw/zinc/99/17/43/835991743.db2.gz OLBJBCWDZLJUJX-GFCCVEGCSA-N 1 1 330.379 0.890 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1ccccc1O)C1CC1 ZINC001266584184 836014954 /nfs/dbraw/zinc/01/49/54/836014954.db2.gz WLPIAOXBDAYTBI-ZDUSSCGKSA-N 1 1 329.400 0.724 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1ccccc1O)C1CC1 ZINC001266584184 836014963 /nfs/dbraw/zinc/01/49/63/836014963.db2.gz WLPIAOXBDAYTBI-ZDUSSCGKSA-N 1 1 329.400 0.724 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+](CCNC(=O)CC(N)=O)C1CC1 ZINC001266586209 836016611 /nfs/dbraw/zinc/01/66/11/836016611.db2.gz PIQOTEQNWYDULN-UHFFFAOYSA-N 1 1 330.388 0.523 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](CCNC(=O)CC(N)=O)C1CC1 ZINC001266586209 836016628 /nfs/dbraw/zinc/01/66/28/836016628.db2.gz PIQOTEQNWYDULN-UHFFFAOYSA-N 1 1 330.388 0.523 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)C1(c2ccccn2)CC1)C1CC1 ZINC001266592556 836023446 /nfs/dbraw/zinc/02/34/46/836023446.db2.gz SYPHNJVUIGYHFT-UHFFFAOYSA-N 1 1 341.415 0.334 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)C1(c2ccccn2)CC1)C1CC1 ZINC001266592556 836023458 /nfs/dbraw/zinc/02/34/58/836023458.db2.gz SYPHNJVUIGYHFT-UHFFFAOYSA-N 1 1 341.415 0.334 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C1CC1)[C@H]1CCN(CC)C1=O ZINC001266597274 836029585 /nfs/dbraw/zinc/02/95/85/836029585.db2.gz XZAQWHBFVWULJB-IRXDYDNUSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C1CC1)[C@H]1CCN(CC)C1=O ZINC001266597274 836029593 /nfs/dbraw/zinc/02/95/93/836029593.db2.gz XZAQWHBFVWULJB-IRXDYDNUSA-N 1 1 346.475 0.285 20 30 ECEDMO CC#CC[N@@H+](CCC)CCNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001317542794 836030820 /nfs/dbraw/zinc/03/08/20/836030820.db2.gz ACJNAPBFVLSNLS-UHFFFAOYSA-N 1 1 327.406 0.392 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@H]1CCCN(C(N)=O)C1)C1CC1 ZINC001266600581 836035654 /nfs/dbraw/zinc/03/56/54/836035654.db2.gz ZULRZIVUABNIIQ-AWEZNQCLSA-N 1 1 336.436 0.008 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1CC1 ZINC001266602618 836036313 /nfs/dbraw/zinc/03/63/13/836036313.db2.gz MPUFQWXAILLKCM-JKSUJKDBSA-N 1 1 348.447 0.269 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1CC1 ZINC001266602618 836036320 /nfs/dbraw/zinc/03/63/20/836036320.db2.gz MPUFQWXAILLKCM-JKSUJKDBSA-N 1 1 348.447 0.269 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C1CC1 ZINC001266647935 836082922 /nfs/dbraw/zinc/08/29/22/836082922.db2.gz HQJOWFUQUYJFEX-ZBSSRIJBSA-N 1 1 347.459 0.757 20 30 ECEDMO C#Cc1cccc(NC(=O)C[NH2+]CCN(C)C(=O)c2cnc(C)[nH]2)c1 ZINC001266660816 836098371 /nfs/dbraw/zinc/09/83/71/836098371.db2.gz UEBPYJNIUGPXCL-UHFFFAOYSA-N 1 1 339.399 1.000 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)NC(C)=O)C1 ZINC001266761094 836263075 /nfs/dbraw/zinc/26/30/75/836263075.db2.gz SYNXQHVOISRTTD-LSDHHAIUSA-N 1 1 338.452 0.032 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](NC(C)=O)C(C)C)C1 ZINC001266767437 836274274 /nfs/dbraw/zinc/27/42/74/836274274.db2.gz NNYLNEFQCXBLCF-DLBZAZTESA-N 1 1 337.464 0.625 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001266768050 836275418 /nfs/dbraw/zinc/27/54/18/836275418.db2.gz WVUCQYZDTFMDOY-HUUCEWRRSA-N 1 1 327.428 0.912 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001266768051 836276249 /nfs/dbraw/zinc/27/62/49/836276249.db2.gz WVUCQYZDTFMDOY-LSDHHAIUSA-N 1 1 327.428 0.912 20 30 ECEDMO CCc1ncncc1C(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266770233 836280276 /nfs/dbraw/zinc/28/02/76/836280276.db2.gz RUHWJBNZEXIRRV-CYBMUJFWSA-N 1 1 344.419 0.121 20 30 ECEDMO CCc1ncncc1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266770233 836280288 /nfs/dbraw/zinc/28/02/88/836280288.db2.gz RUHWJBNZEXIRRV-CYBMUJFWSA-N 1 1 344.419 0.121 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)Cc2nc3ncccn3n2)C1 ZINC001266770578 836280312 /nfs/dbraw/zinc/28/03/12/836280312.db2.gz YWRPNGYUMFPARW-CQSZACIVSA-N 1 1 326.404 0.518 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)CCCS(N)(=O)=O ZINC001266853240 836385427 /nfs/dbraw/zinc/38/54/27/836385427.db2.gz INVOTVLEMRYOMH-CQSZACIVSA-N 1 1 331.482 0.992 20 30 ECEDMO COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001266856240 836391179 /nfs/dbraw/zinc/39/11/79/836391179.db2.gz MPGTWZAVVVNHKQ-HNNXBMFYSA-N 1 1 348.447 0.971 20 30 ECEDMO COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001266856240 836391187 /nfs/dbraw/zinc/39/11/87/836391187.db2.gz MPGTWZAVVVNHKQ-HNNXBMFYSA-N 1 1 348.447 0.971 20 30 ECEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266857771 836394121 /nfs/dbraw/zinc/39/41/21/836394121.db2.gz OWCFFHFFSDWRAA-AWEZNQCLSA-N 1 1 336.436 0.817 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(CC)[nH]n1 ZINC001266861298 836400786 /nfs/dbraw/zinc/40/07/86/836400786.db2.gz WKXGMMYQBNEHNF-CQSZACIVSA-N 1 1 331.420 0.306 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(C)(C)O ZINC001266885693 836434027 /nfs/dbraw/zinc/43/40/27/836434027.db2.gz GDHZISQRCABTSU-JKSUJKDBSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001266891679 836441300 /nfs/dbraw/zinc/44/13/00/836441300.db2.gz QNWMXVGCHCWFQV-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001266896673 836448158 /nfs/dbraw/zinc/44/81/58/836448158.db2.gz FJMIVAWZHXDYMP-KBPBESRZSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)COCc2nc(CC)no2)C1 ZINC001266898694 836449997 /nfs/dbraw/zinc/44/99/97/836449997.db2.gz XYZDYDWQKCKYED-UONOGXRCSA-N 1 1 334.420 0.999 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001266898543 836450056 /nfs/dbraw/zinc/45/00/56/836450056.db2.gz WPDXHMGLNLZASK-UONOGXRCSA-N 1 1 336.436 0.721 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)N3CCCCC3)C[C@H]21 ZINC001266900797 836453607 /nfs/dbraw/zinc/45/36/07/836453607.db2.gz HONJAQOVMAVPDT-CDSLXBQBSA-N 1 1 349.475 0.761 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cccc1 ZINC001266900702 836453652 /nfs/dbraw/zinc/45/36/52/836453652.db2.gz XYFFMHDRYXRVCI-SUJAAXHWSA-N 1 1 328.416 0.233 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@@H](CCC)C1 ZINC001266904918 836462581 /nfs/dbraw/zinc/46/25/81/836462581.db2.gz YWZMBVVZAHUZFL-YXISZKLHSA-N 1 1 347.459 0.378 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@@H](CCC)C1 ZINC001266904918 836462591 /nfs/dbraw/zinc/46/25/91/836462591.db2.gz YWZMBVVZAHUZFL-YXISZKLHSA-N 1 1 347.459 0.378 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1ccc2cncn2c1C ZINC001266951184 836516712 /nfs/dbraw/zinc/51/67/12/836516712.db2.gz ZXPNQWXUZRWXEM-STQMWFEESA-N 1 1 341.415 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2cn(CC3CC3)nn2)cn1 ZINC001266985079 836565275 /nfs/dbraw/zinc/56/52/75/836565275.db2.gz GNMFJLPCCVHSMK-CYBMUJFWSA-N 1 1 338.415 0.973 20 30 ECEDMO C[C@H](CNC(=O)CC#Cc1ccccc1)[NH2+][C@H](C)c1nnnn1C ZINC001266996851 836582845 /nfs/dbraw/zinc/58/28/45/836582845.db2.gz JUFYBINRZYBTLO-ZIAGYGMSSA-N 1 1 326.404 0.807 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001299162030 836714791 /nfs/dbraw/zinc/71/47/91/836714791.db2.gz NQIJIFSFJXBMFG-CQSZACIVSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)ncn2)C1 ZINC001267102375 836775122 /nfs/dbraw/zinc/77/51/22/836775122.db2.gz DYQPJFXDRDKHAJ-LSDHHAIUSA-N 1 1 343.431 0.459 20 30 ECEDMO C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001267104491 836780066 /nfs/dbraw/zinc/78/00/66/836780066.db2.gz RBKGFDWZVQBNIQ-CQSZACIVSA-N 1 1 334.420 0.519 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)N(C)CC2CC2)C1 ZINC001267105615 836785487 /nfs/dbraw/zinc/78/54/87/836785487.db2.gz LHKVJENTUUCZQM-NVXWUHKLSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)N(C)CC2CC2)C1 ZINC001267105615 836785495 /nfs/dbraw/zinc/78/54/95/836785495.db2.gz LHKVJENTUUCZQM-NVXWUHKLSA-N 1 1 349.475 0.816 20 30 ECEDMO CCS(=O)(=O)NCC[N@H+](C)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001267106765 836787528 /nfs/dbraw/zinc/78/75/28/836787528.db2.gz VWSGIQRSBMXKOJ-OAHLLOKOSA-N 1 1 341.477 0.262 20 30 ECEDMO CCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001267106765 836787530 /nfs/dbraw/zinc/78/75/30/836787530.db2.gz VWSGIQRSBMXKOJ-OAHLLOKOSA-N 1 1 341.477 0.262 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1)c1cccnc1 ZINC001267113779 836802807 /nfs/dbraw/zinc/80/28/07/836802807.db2.gz RTTLPTSFLVHPCO-ZBFHGGJFSA-N 1 1 343.431 0.748 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)c1cccnc1 ZINC001267113779 836802821 /nfs/dbraw/zinc/80/28/21/836802821.db2.gz RTTLPTSFLVHPCO-ZBFHGGJFSA-N 1 1 343.431 0.748 20 30 ECEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC001267114933 836806802 /nfs/dbraw/zinc/80/68/02/836806802.db2.gz NPPXBUPFAUWGPR-CQSZACIVSA-N 1 1 343.493 0.650 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC[C@H](C)N[C@@H](C)c2nncn2C)CC1 ZINC001267154438 836861872 /nfs/dbraw/zinc/86/18/72/836861872.db2.gz DBMJIOXMDAVJAT-GJZGRUSLSA-N 1 1 346.479 0.706 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CCn1cncn1 ZINC001267160178 836871117 /nfs/dbraw/zinc/87/11/17/836871117.db2.gz CFPSYXXSDINHES-INIZCTEOSA-N 1 1 333.436 0.679 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cnsn1 ZINC001267160740 836871703 /nfs/dbraw/zinc/87/17/03/836871703.db2.gz JWLWZTQDYPSKOG-LBPRGKRZSA-N 1 1 335.433 0.262 20 30 ECEDMO C[C@H](C#N)C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1nnc2n1CCOC2 ZINC001267162690 836880728 /nfs/dbraw/zinc/88/07/28/836880728.db2.gz HONDBAZCACNFIB-KGLIPLIRSA-N 1 1 346.435 0.829 20 30 ECEDMO C[C@H](C#N)C(=O)NCCC[C@H]1CCC[N@H+]1Cc1nnc2n1CCOC2 ZINC001267162690 836880734 /nfs/dbraw/zinc/88/07/34/836880734.db2.gz HONDBAZCACNFIB-KGLIPLIRSA-N 1 1 346.435 0.829 20 30 ECEDMO Cc1cc(C(=O)NCCC[C@H]2CCC[N@H+]2CC(=O)NCC#N)cnn1 ZINC001267165722 836888267 /nfs/dbraw/zinc/88/82/67/836888267.db2.gz OPRYTYWVMVXPSG-HNNXBMFYSA-N 1 1 344.419 0.399 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001267171528 836904509 /nfs/dbraw/zinc/90/45/09/836904509.db2.gz JEQAHEYQJXZTHA-HUUCEWRRSA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001267181840 836933975 /nfs/dbraw/zinc/93/39/75/836933975.db2.gz OQWBKFYGKNNJRW-CABCVRRESA-N 1 1 326.462 0.948 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1nc(COC)no1 ZINC001267199994 836973737 /nfs/dbraw/zinc/97/37/37/836973737.db2.gz ATUUOYPYCWHTFQ-KBPBESRZSA-N 1 1 349.435 0.423 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1nc(COC)no1 ZINC001267199994 836973743 /nfs/dbraw/zinc/97/37/43/836973743.db2.gz ATUUOYPYCWHTFQ-KBPBESRZSA-N 1 1 349.435 0.423 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001267210348 836995396 /nfs/dbraw/zinc/99/53/96/836995396.db2.gz CZXFBVZYOLAHIR-ZIAGYGMSSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001267210348 836995401 /nfs/dbraw/zinc/99/54/01/836995401.db2.gz CZXFBVZYOLAHIR-ZIAGYGMSSA-N 1 1 338.452 0.873 20 30 ECEDMO COc1ccc(C[N@@H+](C)CCNC(=O)C2(C(N)=O)CC2)cc1C#N ZINC001267214080 837004239 /nfs/dbraw/zinc/00/42/39/837004239.db2.gz JUWDHFKGUAPGLG-UHFFFAOYSA-N 1 1 330.388 0.380 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnc2cccnn21 ZINC001267220504 837013192 /nfs/dbraw/zinc/01/31/92/837013192.db2.gz VBALRDLCRBOZIC-LBPRGKRZSA-N 1 1 330.392 0.082 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnc2cccnn21 ZINC001267220504 837013203 /nfs/dbraw/zinc/01/32/03/837013203.db2.gz VBALRDLCRBOZIC-LBPRGKRZSA-N 1 1 330.392 0.082 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001267230694 837033921 /nfs/dbraw/zinc/03/39/21/837033921.db2.gz YUTNMFZCJVKWMU-GFCCVEGCSA-N 1 1 349.435 0.080 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001267230694 837033936 /nfs/dbraw/zinc/03/39/36/837033936.db2.gz YUTNMFZCJVKWMU-GFCCVEGCSA-N 1 1 349.435 0.080 20 30 ECEDMO CC[N@H+](CCNC(=O)CSCC#N)CC(=O)N1CCC[C@@H](C)C1 ZINC001267236972 837044755 /nfs/dbraw/zinc/04/47/55/837044755.db2.gz VVUNXZJRUADZRP-CQSZACIVSA-N 1 1 340.493 0.940 20 30 ECEDMO CC[N@@H+](CCNC(=O)CSCC#N)CC(=O)N1CCC[C@@H](C)C1 ZINC001267236972 837044762 /nfs/dbraw/zinc/04/47/62/837044762.db2.gz VVUNXZJRUADZRP-CQSZACIVSA-N 1 1 340.493 0.940 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cnn(C2CCC2)c1)CC(=O)NCC#N ZINC001267240919 837048254 /nfs/dbraw/zinc/04/82/54/837048254.db2.gz DCWYTVZFQDJJTP-UHFFFAOYSA-N 1 1 332.408 0.300 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cnn(C2CCC2)c1)CC(=O)NCC#N ZINC001267240919 837048263 /nfs/dbraw/zinc/04/82/63/837048263.db2.gz DCWYTVZFQDJJTP-UHFFFAOYSA-N 1 1 332.408 0.300 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1nncc2ccccc21 ZINC001267245157 837057090 /nfs/dbraw/zinc/05/70/90/837057090.db2.gz YBQCHXWHBCINBC-UHFFFAOYSA-N 1 1 339.399 0.431 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1nncc2ccccc21 ZINC001267245157 837057104 /nfs/dbraw/zinc/05/71/04/837057104.db2.gz YBQCHXWHBCINBC-UHFFFAOYSA-N 1 1 339.399 0.431 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001267246475 837060797 /nfs/dbraw/zinc/06/07/97/837060797.db2.gz ARWILAGMOWGDTN-ZIAGYGMSSA-N 1 1 338.452 0.032 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001267246475 837060811 /nfs/dbraw/zinc/06/08/11/837060811.db2.gz ARWILAGMOWGDTN-ZIAGYGMSSA-N 1 1 338.452 0.032 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cc(C(C)C)no1 ZINC001267250428 837069490 /nfs/dbraw/zinc/06/94/90/837069490.db2.gz IZYSYWSXOCRFJJ-ZDUSSCGKSA-N 1 1 334.420 0.988 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cc(C(C)C)no1 ZINC001267250428 837069499 /nfs/dbraw/zinc/06/94/99/837069499.db2.gz IZYSYWSXOCRFJJ-ZDUSSCGKSA-N 1 1 334.420 0.988 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1ccc(N2CCCC2)nn1 ZINC001267254073 837074189 /nfs/dbraw/zinc/07/41/89/837074189.db2.gz BLEATWKCMAJAGS-UHFFFAOYSA-N 1 1 345.447 0.778 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001267261598 837093208 /nfs/dbraw/zinc/09/32/08/837093208.db2.gz QMHLWESVWDQPJA-LSDHHAIUSA-N 1 1 330.432 0.666 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001267261598 837093214 /nfs/dbraw/zinc/09/32/14/837093214.db2.gz QMHLWESVWDQPJA-LSDHHAIUSA-N 1 1 330.432 0.666 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001267271626 837113526 /nfs/dbraw/zinc/11/35/26/837113526.db2.gz YZYVMXVHXSVKHF-HZPDHXFCSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001267278305 837121702 /nfs/dbraw/zinc/12/17/02/837121702.db2.gz IMEAUJCQPRDWHK-OAHLLOKOSA-N 1 1 345.447 0.337 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001267277716 837123521 /nfs/dbraw/zinc/12/35/21/837123521.db2.gz ACZICNVXVFUUBB-KBPBESRZSA-N 1 1 331.482 0.717 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001267279850 837127462 /nfs/dbraw/zinc/12/74/62/837127462.db2.gz MBDJRTXYWANUNO-KBPBESRZSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001267279850 837127469 /nfs/dbraw/zinc/12/74/69/837127469.db2.gz MBDJRTXYWANUNO-KBPBESRZSA-N 1 1 346.431 0.959 20 30 ECEDMO CC(C)CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CSCC#N)C1 ZINC001267289512 837141596 /nfs/dbraw/zinc/14/15/96/837141596.db2.gz RDKSNOQNEAWPMI-ZDUSSCGKSA-N 1 1 326.466 0.453 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267290460 837141775 /nfs/dbraw/zinc/14/17/75/837141775.db2.gz OGMKLRJHFGZIQK-STQMWFEESA-N 1 1 329.404 0.629 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001267298500 837160043 /nfs/dbraw/zinc/16/00/43/837160043.db2.gz OFNBZJOZHUPOPQ-QAPCUYQASA-N 1 1 349.475 0.769 20 30 ECEDMO CC#CCCCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001267300673 837163772 /nfs/dbraw/zinc/16/37/72/837163772.db2.gz RKHAGJTVODXEGQ-IAGOWNOFSA-N 1 1 349.475 0.771 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCc2cncs2)C1 ZINC001267303592 837169125 /nfs/dbraw/zinc/16/91/25/837169125.db2.gz PKDIDELVYNEYNG-GFCCVEGCSA-N 1 1 335.433 0.154 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCc2cncs2)C1 ZINC001267303592 837169134 /nfs/dbraw/zinc/16/91/34/837169134.db2.gz PKDIDELVYNEYNG-GFCCVEGCSA-N 1 1 335.433 0.154 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2sc(C)cc2OC)C1 ZINC001267303552 837171305 /nfs/dbraw/zinc/17/13/05/837171305.db2.gz OILRPGUHHFYRFK-CYBMUJFWSA-N 1 1 349.456 0.866 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001267304650 837172511 /nfs/dbraw/zinc/17/25/11/837172511.db2.gz BBWZQUJTNVEZEP-KBPBESRZSA-N 1 1 331.482 0.671 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2noc3c2COCC3)C1 ZINC001267308536 837183057 /nfs/dbraw/zinc/18/30/57/837183057.db2.gz AQTMRUUXODCCGU-LBPRGKRZSA-N 1 1 348.403 0.101 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)C1CC(F)(F)C1 ZINC001267312131 837188291 /nfs/dbraw/zinc/18/82/91/837188291.db2.gz QJYSGCHQFOPQKL-GFCCVEGCSA-N 1 1 329.391 0.998 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001267323795 837200953 /nfs/dbraw/zinc/20/09/53/837200953.db2.gz SZLAXKUARBCDOO-GFCCVEGCSA-N 1 1 329.404 0.771 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001267323795 837200963 /nfs/dbraw/zinc/20/09/63/837200963.db2.gz SZLAXKUARBCDOO-GFCCVEGCSA-N 1 1 329.404 0.771 20 30 ECEDMO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001267325766 837202726 /nfs/dbraw/zinc/20/27/26/837202726.db2.gz LTNJPWOTFSZUAH-YOEHRIQHSA-N 1 1 347.459 0.664 20 30 ECEDMO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001267325766 837202732 /nfs/dbraw/zinc/20/27/32/837202732.db2.gz LTNJPWOTFSZUAH-YOEHRIQHSA-N 1 1 347.459 0.664 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCNC(=O)c2cnc[nH]c2=O)C2CC2)C1=O ZINC001267327340 837207076 /nfs/dbraw/zinc/20/70/76/837207076.db2.gz KBBISNMQGXCYCH-CQSZACIVSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCNC(=O)c2cnc[nH]c2=O)C2CC2)C1=O ZINC001267327340 837207081 /nfs/dbraw/zinc/20/70/81/837207081.db2.gz KBBISNMQGXCYCH-CQSZACIVSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@@H+](CC(=O)NC(C)(C)C)C2CC2)nn1 ZINC001267334146 837216372 /nfs/dbraw/zinc/21/63/72/837216372.db2.gz ZRRRBHHCKLINDX-UHFFFAOYSA-N 1 1 348.451 0.573 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@H+](CC(=O)NC(C)(C)C)C2CC2)nn1 ZINC001267334146 837216376 /nfs/dbraw/zinc/21/63/76/837216376.db2.gz ZRRRBHHCKLINDX-UHFFFAOYSA-N 1 1 348.451 0.573 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001267336075 837217975 /nfs/dbraw/zinc/21/79/75/837217975.db2.gz HYOMNKJCOJGYGU-AWEZNQCLSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001267336075 837217985 /nfs/dbraw/zinc/21/79/85/837217985.db2.gz HYOMNKJCOJGYGU-AWEZNQCLSA-N 1 1 344.415 0.729 20 30 ECEDMO CC#CC[N@@H+](CCNC(=O)c1cc2c(cn1)nc[nH]c2=O)C1CC1 ZINC001267337155 837222128 /nfs/dbraw/zinc/22/21/28/837222128.db2.gz JHIDVLWXDUHCBE-UHFFFAOYSA-N 1 1 325.372 0.948 20 30 ECEDMO CN(CC[NH2+]Cc1nnnn1C(C)(C)C)C(=O)CSCC#N ZINC001267347764 837232547 /nfs/dbraw/zinc/23/25/47/837232547.db2.gz KAUMYCINVHFVAT-UHFFFAOYSA-N 1 1 325.442 0.233 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@H](CNC(=O)Cc1cc[nH]n1)c1ccccc1 ZINC001267357254 837245405 /nfs/dbraw/zinc/24/54/05/837245405.db2.gz LVNMPYYKDACGLK-OAHLLOKOSA-N 1 1 340.387 0.039 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@]1(F)CCOC1)c1ccccc1 ZINC001267371600 837272222 /nfs/dbraw/zinc/27/22/22/837272222.db2.gz ZZUUQKQUTWBOIM-QAPCUYQASA-N 1 1 347.390 0.312 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NC)C2)c1 ZINC001267590969 837879641 /nfs/dbraw/zinc/87/96/41/837879641.db2.gz YMTBHKUDUQJTME-DZGCQCFKSA-N 1 1 328.416 0.591 20 30 ECEDMO CCC(=O)N1CC[C@@H](C(=O)NCC[C@@H]2CC[N@@H+](CC#CCOC)C2)C1 ZINC001267595049 837897717 /nfs/dbraw/zinc/89/77/17/837897717.db2.gz OXJRLYVUEZKMMH-IAGOWNOFSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c(C)n[nH]c2C)C1 ZINC001267596781 837902925 /nfs/dbraw/zinc/90/29/25/837902925.db2.gz PWHHBWAUCFMMLF-HNNXBMFYSA-N 1 1 345.447 0.099 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C[N@@H+](C)CCN2CCCC2=O)CC1 ZINC001267599149 837909295 /nfs/dbraw/zinc/90/92/95/837909295.db2.gz FJAFWTUCDGESND-UHFFFAOYSA-N 1 1 349.475 0.819 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001267600199 837915770 /nfs/dbraw/zinc/91/57/70/837915770.db2.gz CXQQSZZPUINSAN-ZIAGYGMSSA-N 1 1 346.431 0.920 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001267600197 837915810 /nfs/dbraw/zinc/91/58/10/837915810.db2.gz CXQQSZZPUINSAN-KGLIPLIRSA-N 1 1 346.431 0.920 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)c2ncccn2)CC1 ZINC001267602392 837927073 /nfs/dbraw/zinc/92/70/73/837927073.db2.gz BKTORIOXSZGHMC-AWEZNQCLSA-N 1 1 343.431 0.399 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001267610660 837974650 /nfs/dbraw/zinc/97/46/50/837974650.db2.gz KYOVWRSNDGEUAW-CQSZACIVSA-N 1 1 330.388 0.523 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001267610660 837974657 /nfs/dbraw/zinc/97/46/57/837974657.db2.gz KYOVWRSNDGEUAW-CQSZACIVSA-N 1 1 330.388 0.523 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H](CC)N2CCCC2=O)CC1 ZINC001267618033 838046022 /nfs/dbraw/zinc/04/60/22/838046022.db2.gz JJLPIKLMESZGDM-MRXNPFEDSA-N 1 1 334.464 0.097 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@@H](CC)N2CCCC2=O)CC1 ZINC001267618033 838046039 /nfs/dbraw/zinc/04/60/39/838046039.db2.gz JJLPIKLMESZGDM-MRXNPFEDSA-N 1 1 334.464 0.097 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cnn2C)C1 ZINC001267618531 838051110 /nfs/dbraw/zinc/05/11/10/838051110.db2.gz QAUCNUBKGSREKJ-UONOGXRCSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2c(C)cnn2C)C1 ZINC001267618531 838051125 /nfs/dbraw/zinc/05/11/25/838051125.db2.gz QAUCNUBKGSREKJ-UONOGXRCSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001267619984 838054802 /nfs/dbraw/zinc/05/48/02/838054802.db2.gz NFAPYAVVYMZPBK-ZIAGYGMSSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)OCC(C)C)C1 ZINC001267631100 838089718 /nfs/dbraw/zinc/08/97/18/838089718.db2.gz AVGAXOKWCMNHAY-CVEARBPZSA-N 1 1 337.464 0.577 20 30 ECEDMO CCCN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC#CCOC)C2)CC1=O ZINC001267632575 838095478 /nfs/dbraw/zinc/09/54/78/838095478.db2.gz ZKVHJAMFZRJPHV-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO CCCN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC#CCOC)C2)CC1=O ZINC001267632575 838095487 /nfs/dbraw/zinc/09/54/87/838095487.db2.gz ZKVHJAMFZRJPHV-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001267685208 838248165 /nfs/dbraw/zinc/24/81/65/838248165.db2.gz BFSLPJRFPOPDEC-HNNXBMFYSA-N 1 1 346.431 0.156 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001267689979 838258447 /nfs/dbraw/zinc/25/84/47/838258447.db2.gz JWVRJDIXDSFQCM-QWHCGFSZSA-N 1 1 338.452 0.952 20 30 ECEDMO CCCN1C[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC#CCOC)C2)CC1=O ZINC001267691176 838261928 /nfs/dbraw/zinc/26/19/28/838261928.db2.gz VKYKBKZRVASHEI-DLBZAZTESA-N 1 1 349.475 0.675 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001267703816 838307219 /nfs/dbraw/zinc/30/72/19/838307219.db2.gz XACYGTAZNBICDD-ZDUSSCGKSA-N 1 1 339.395 0.987 20 30 ECEDMO C=CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001267705834 838310686 /nfs/dbraw/zinc/31/06/86/838310686.db2.gz PFXYCXYFSLKDSU-HRCADAONSA-N 1 1 334.464 0.448 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267715920 838356818 /nfs/dbraw/zinc/35/68/18/838356818.db2.gz FPYYRUKKWCNNFY-IKGGRYGDSA-N 1 1 348.491 0.648 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC001267724037 838383550 /nfs/dbraw/zinc/38/35/50/838383550.db2.gz OVBQFGUJDFXYMG-HNNXBMFYSA-N 1 1 334.420 0.292 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC001267724037 838383558 /nfs/dbraw/zinc/38/35/58/838383558.db2.gz OVBQFGUJDFXYMG-HNNXBMFYSA-N 1 1 334.420 0.292 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(C[N@@H+](C)CCNS(C)(=O)=O)CC1 ZINC001267725229 838393199 /nfs/dbraw/zinc/39/31/99/838393199.db2.gz VXVMTSATZCLUAX-UHFFFAOYSA-N 1 1 343.493 0.365 20 30 ECEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267730254 838416283 /nfs/dbraw/zinc/41/62/83/838416283.db2.gz LEUZZCLAXVDKIS-OCCSQVGLSA-N 1 1 336.436 0.910 20 30 ECEDMO C=CCCCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267730254 838416288 /nfs/dbraw/zinc/41/62/88/838416288.db2.gz LEUZZCLAXVDKIS-OCCSQVGLSA-N 1 1 336.436 0.910 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C[N@@H+](C)CC(=O)N(C)C2CC2)CC1 ZINC001267730494 838416650 /nfs/dbraw/zinc/41/66/50/838416650.db2.gz YDZDSYNKDYZMDN-OAHLLOKOSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001267732742 838421256 /nfs/dbraw/zinc/42/12/56/838421256.db2.gz MIGSHSDJGRBQEH-OCCSQVGLSA-N 1 1 328.416 0.834 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001267732742 838421262 /nfs/dbraw/zinc/42/12/62/838421262.db2.gz MIGSHSDJGRBQEH-OCCSQVGLSA-N 1 1 328.416 0.834 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO[C@H]3CCOC3)C2)c[nH]1 ZINC001267740387 838439869 /nfs/dbraw/zinc/43/98/69/838439869.db2.gz DJEPFSPVNUESMC-ZBFHGGJFSA-N 1 1 332.404 0.886 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)CCN2CCCC2=O)CC1 ZINC001267758872 838484076 /nfs/dbraw/zinc/48/40/76/838484076.db2.gz RKZLVTMBUSKNFR-UHFFFAOYSA-N 1 1 349.475 0.819 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267761069 838488495 /nfs/dbraw/zinc/48/84/95/838488495.db2.gz AKUQGZJUCHPMPX-HUUCEWRRSA-N 1 1 326.462 0.613 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267761069 838488497 /nfs/dbraw/zinc/48/84/97/838488497.db2.gz AKUQGZJUCHPMPX-HUUCEWRRSA-N 1 1 326.462 0.613 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3cccnc23)C1 ZINC001267767113 838502209 /nfs/dbraw/zinc/50/22/09/838502209.db2.gz DNUQNTUNMVXYLC-AWEZNQCLSA-N 1 1 327.388 0.525 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn3cccnc23)C1 ZINC001267767113 838502213 /nfs/dbraw/zinc/50/22/13/838502213.db2.gz DNUQNTUNMVXYLC-AWEZNQCLSA-N 1 1 327.388 0.525 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](N(C)C(=O)CCc3ccon3)C2)C1=O ZINC001267767469 838504685 /nfs/dbraw/zinc/50/46/85/838504685.db2.gz JQJIIKDAHGDDQA-HOTGVXAUSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](N(C)C(=O)CCc3ccon3)C2)C1=O ZINC001267767469 838504687 /nfs/dbraw/zinc/50/46/87/838504687.db2.gz JQJIIKDAHGDDQA-HOTGVXAUSA-N 1 1 346.431 0.927 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cncc(CC)c2)C1 ZINC001267766339 838505014 /nfs/dbraw/zinc/50/50/14/838505014.db2.gz ADQMQNHURJSKDL-WMLDXEAASA-N 1 1 342.443 0.928 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cncc(CC)c2)C1 ZINC001267766339 838505018 /nfs/dbraw/zinc/50/50/18/838505018.db2.gz ADQMQNHURJSKDL-WMLDXEAASA-N 1 1 342.443 0.928 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001267769949 838516694 /nfs/dbraw/zinc/51/66/94/838516694.db2.gz XDSWILSJAXBMBA-GDBMZVCRSA-N 1 1 345.447 0.280 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001267769949 838516699 /nfs/dbraw/zinc/51/66/99/838516699.db2.gz XDSWILSJAXBMBA-GDBMZVCRSA-N 1 1 345.447 0.280 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001267777684 838544764 /nfs/dbraw/zinc/54/47/64/838544764.db2.gz SNWQJIIJALQXNN-GOEBONIOSA-N 1 1 328.416 0.467 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001267777684 838544775 /nfs/dbraw/zinc/54/47/75/838544775.db2.gz SNWQJIIJALQXNN-GOEBONIOSA-N 1 1 328.416 0.467 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCCOC(C)C)C1 ZINC001267779215 838550203 /nfs/dbraw/zinc/55/02/03/838550203.db2.gz PLUIQNZYTIUJRR-HZPDHXFCSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCCOC(C)C)C1 ZINC001267779215 838550206 /nfs/dbraw/zinc/55/02/06/838550206.db2.gz PLUIQNZYTIUJRR-HZPDHXFCSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cncnc2)C1 ZINC001267782709 838558148 /nfs/dbraw/zinc/55/81/48/838558148.db2.gz BHPMQVTXCZTEAD-UKRRQHHQSA-N 1 1 329.404 0.151 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cncnc2)C1 ZINC001267782709 838558152 /nfs/dbraw/zinc/55/81/52/838558152.db2.gz BHPMQVTXCZTEAD-UKRRQHHQSA-N 1 1 329.404 0.151 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001267782908 838558232 /nfs/dbraw/zinc/55/82/32/838558232.db2.gz CBDQTOOMLNZQAB-ZIAGYGMSSA-N 1 1 336.436 0.413 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001267782908 838558237 /nfs/dbraw/zinc/55/82/37/838558237.db2.gz CBDQTOOMLNZQAB-ZIAGYGMSSA-N 1 1 336.436 0.413 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cncnc2)C1 ZINC001267782707 838558261 /nfs/dbraw/zinc/55/82/61/838558261.db2.gz BHPMQVTXCZTEAD-HIFRSBDPSA-N 1 1 329.404 0.151 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cncnc2)C1 ZINC001267782707 838558264 /nfs/dbraw/zinc/55/82/64/838558264.db2.gz BHPMQVTXCZTEAD-HIFRSBDPSA-N 1 1 329.404 0.151 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001267784407 838559682 /nfs/dbraw/zinc/55/96/82/838559682.db2.gz PLEYWYYTGYOTBR-MRXNPFEDSA-N 1 1 335.448 0.427 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001267784407 838559684 /nfs/dbraw/zinc/55/96/84/838559684.db2.gz PLEYWYYTGYOTBR-MRXNPFEDSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001267791654 838572686 /nfs/dbraw/zinc/57/26/86/838572686.db2.gz WBKZKSCMXITYTL-DOMZBBRYSA-N 1 1 346.431 0.966 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001267791654 838572690 /nfs/dbraw/zinc/57/26/90/838572690.db2.gz WBKZKSCMXITYTL-DOMZBBRYSA-N 1 1 346.431 0.966 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001267950307 838845035 /nfs/dbraw/zinc/84/50/35/838845035.db2.gz YBLXCSNXXMSKAM-UKRRQHHQSA-N 1 1 346.431 0.270 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001267950307 838845043 /nfs/dbraw/zinc/84/50/43/838845043.db2.gz YBLXCSNXXMSKAM-UKRRQHHQSA-N 1 1 346.431 0.270 20 30 ECEDMO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC001408868475 838855505 /nfs/dbraw/zinc/85/55/05/838855505.db2.gz NAMZFPFYUFOGFS-ZDUSSCGKSA-N 1 1 331.420 0.806 20 30 ECEDMO CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CCNC(=O)COC)CC2 ZINC001267973259 838904174 /nfs/dbraw/zinc/90/41/74/838904174.db2.gz JUHYQZZWCKLPPD-UHFFFAOYSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)S(=O)(=O)CC)CC2 ZINC001267973882 838907959 /nfs/dbraw/zinc/90/79/59/838907959.db2.gz DKDSSMMZNKVGMU-UHFFFAOYSA-N 1 1 341.477 0.216 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001268028691 839043418 /nfs/dbraw/zinc/04/34/18/839043418.db2.gz LPCNDMRSKVVXNT-AWEZNQCLSA-N 1 1 347.481 0.051 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@H](CNC(=O)Cn2c(=O)oc3ccccc32)C1 ZINC001268028956 839044073 /nfs/dbraw/zinc/04/40/73/839044073.db2.gz QOQWWTLTTZEJBM-CQSZACIVSA-N 1 1 343.383 0.435 20 30 ECEDMO C#CCC[N@H+]1CCO[C@H](CNC(=O)Cn2c(=O)oc3ccccc32)C1 ZINC001268028956 839044085 /nfs/dbraw/zinc/04/40/85/839044085.db2.gz QOQWWTLTTZEJBM-CQSZACIVSA-N 1 1 343.383 0.435 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)Cc1cnn(C)c1)CC2 ZINC001268042987 839190003 /nfs/dbraw/zinc/19/00/03/839190003.db2.gz BTYWAXIACBPTPR-UHFFFAOYSA-N 1 1 330.432 0.537 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)OCC1CC1)CC2 ZINC001268043939 839199493 /nfs/dbraw/zinc/19/94/93/839199493.db2.gz PWCNGSLGQDBRBS-OAHLLOKOSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC2(C[NH+](Cc3ccnn3C)C2)CC1 ZINC001268044099 839200740 /nfs/dbraw/zinc/20/07/40/839200740.db2.gz XANANUKWPMBKSR-HNNXBMFYSA-N 1 1 330.432 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000980990588 839294277 /nfs/dbraw/zinc/29/42/77/839294277.db2.gz AJPQSCSTTWDRKC-INIZCTEOSA-N 1 1 341.415 0.821 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000980990588 839294287 /nfs/dbraw/zinc/29/42/87/839294287.db2.gz AJPQSCSTTWDRKC-INIZCTEOSA-N 1 1 341.415 0.821 20 30 ECEDMO N#Cc1c(F)cccc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000427775918 210218098 /nfs/dbraw/zinc/21/80/98/210218098.db2.gz CYYHMOXTIMBBDK-UHFFFAOYSA-N 1 1 348.422 0.817 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)CC1 ZINC000266151645 201219253 /nfs/dbraw/zinc/21/92/53/201219253.db2.gz JJRMUOCGAXDPTN-UHFFFAOYSA-N 1 1 327.406 0.730 20 30 ECEDMO C#CCSCCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000271612367 201246062 /nfs/dbraw/zinc/24/60/62/201246062.db2.gz CMFAZETYKKEHGB-CYBMUJFWSA-N 1 1 327.450 0.632 20 30 ECEDMO C#CCSCCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000271612367 201246066 /nfs/dbraw/zinc/24/60/66/201246066.db2.gz CMFAZETYKKEHGB-CYBMUJFWSA-N 1 1 327.450 0.632 20 30 ECEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)c1 ZINC000104714515 204116703 /nfs/dbraw/zinc/11/67/03/204116703.db2.gz VWXHSHVJRAFHAG-UHFFFAOYSA-N 1 1 342.399 0.360 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000245936445 205165590 /nfs/dbraw/zinc/16/55/90/205165590.db2.gz SJJFWTUHYYQXTF-KGLIPLIRSA-N 1 1 344.481 0.081 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000245936445 205165595 /nfs/dbraw/zinc/16/55/95/205165595.db2.gz SJJFWTUHYYQXTF-KGLIPLIRSA-N 1 1 344.481 0.081 20 30 ECEDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268708571 252159432 /nfs/dbraw/zinc/15/94/32/252159432.db2.gz XBATWCWWZCINPJ-ZBFHGGJFSA-N 1 1 337.445 0.853 20 30 ECEDMO COC(=O)[C@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411909755 208163249 /nfs/dbraw/zinc/16/32/49/208163249.db2.gz RQUXENIPTVWLSX-HZPDHXFCSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@@H]1CN(C)CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000411909755 208163254 /nfs/dbraw/zinc/16/32/54/208163254.db2.gz RQUXENIPTVWLSX-HZPDHXFCSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000411909755 208163257 /nfs/dbraw/zinc/16/32/57/208163257.db2.gz RQUXENIPTVWLSX-HZPDHXFCSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@@H+](C)C1 ZINC000413891968 208363275 /nfs/dbraw/zinc/36/32/75/208363275.db2.gz HUGJSRLAQHXSSC-OAHLLOKOSA-N 1 1 344.415 0.801 20 30 ECEDMO C=CCN(C)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000121522525 254495134 /nfs/dbraw/zinc/49/51/34/254495134.db2.gz KSRJSFSGHJZXHS-UHFFFAOYSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CCN(CC#N)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000282132159 254553654 /nfs/dbraw/zinc/55/36/54/254553654.db2.gz YVKRRBGLKRSQDZ-UHFFFAOYSA-N 1 1 334.420 0.915 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000330546001 254638742 /nfs/dbraw/zinc/63/87/42/254638742.db2.gz BYNGNKYOFJRTLE-SZOQZIPDSA-N 1 1 339.436 0.843 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000356556816 254722180 /nfs/dbraw/zinc/72/21/80/254722180.db2.gz ZKDXYLQKZOVRPY-CXAGYDPISA-N 1 1 338.452 0.610 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000407976486 254761172 /nfs/dbraw/zinc/76/11/72/254761172.db2.gz UHLCZQDXCLMGBG-OLZOCXBDSA-N 1 1 332.470 0.242 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000407976486 254761174 /nfs/dbraw/zinc/76/11/74/254761174.db2.gz UHLCZQDXCLMGBG-OLZOCXBDSA-N 1 1 332.470 0.242 20 30 ECEDMO C[C@@H](Oc1ccccc1C#N)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000076485311 296620488 /nfs/dbraw/zinc/62/04/88/296620488.db2.gz YWAVSUDCJPVPAZ-CQSZACIVSA-N 1 1 344.415 0.606 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC001041704104 782022611 /nfs/dbraw/zinc/02/26/11/782022611.db2.gz OBHUTTTWJUMSJH-WMLDXEAASA-N 1 1 330.436 0.736 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](NC(N)=O)C3)C2=O)cc1 ZINC000272383940 263345769 /nfs/dbraw/zinc/34/57/69/263345769.db2.gz CCHIESJITTXNJK-ZFWWWQNUSA-N 1 1 327.388 0.796 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H](NC(N)=O)C3)C2=O)cc1 ZINC000272383940 263345771 /nfs/dbraw/zinc/34/57/71/263345771.db2.gz CCHIESJITTXNJK-ZFWWWQNUSA-N 1 1 327.388 0.796 20 30 ECEDMO C[NH+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000276914986 263764694 /nfs/dbraw/zinc/76/46/94/263764694.db2.gz QWYNIRQSOZGIAD-MRXNPFEDSA-N 1 1 341.415 0.616 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000283548956 264128618 /nfs/dbraw/zinc/12/86/18/264128618.db2.gz LDCICSZCCDIJEA-AWEZNQCLSA-N 1 1 344.415 0.574 20 30 ECEDMO C[NH+](C)CCN(C(=O)Cc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000531570660 270008303 /nfs/dbraw/zinc/00/83/03/270008303.db2.gz JKBDEIWXKWLNFJ-INIZCTEOSA-N 1 1 349.456 0.678 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000534217257 270008394 /nfs/dbraw/zinc/00/83/94/270008394.db2.gz OHRFMMAGGVYZBH-CYBMUJFWSA-N 1 1 327.344 0.123 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000534217257 270008395 /nfs/dbraw/zinc/00/83/95/270008395.db2.gz OHRFMMAGGVYZBH-CYBMUJFWSA-N 1 1 327.344 0.123 20 30 ECEDMO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@H](C)O ZINC000352221459 266104092 /nfs/dbraw/zinc/10/40/92/266104092.db2.gz MEFAJIWRUZRZEL-LBPRGKRZSA-N 1 1 335.408 0.206 20 30 ECEDMO CCN1C(=O)[C@H]2C[N@H+](CCOc3ccccc3C#N)CCN2C1=O ZINC000375867057 266141886 /nfs/dbraw/zinc/14/18/86/266141886.db2.gz CDLJSQYNHAQSIN-CQSZACIVSA-N 1 1 328.372 0.905 20 30 ECEDMO CCN1C(=O)[C@H]2C[N@@H+](CCOc3ccccc3C#N)CCN2C1=O ZINC000375867057 266141891 /nfs/dbraw/zinc/14/18/91/266141891.db2.gz CDLJSQYNHAQSIN-CQSZACIVSA-N 1 1 328.372 0.905 20 30 ECEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCn1cnc(C#N)n1 ZINC000286926688 267155295 /nfs/dbraw/zinc/15/52/95/267155295.db2.gz OMTVTKZAVUOOLH-CQSZACIVSA-N 1 1 341.419 0.969 20 30 ECEDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc(S(N)(=O)=O)cc1C#N ZINC000301392695 267156200 /nfs/dbraw/zinc/15/62/00/267156200.db2.gz IKZVFQNFYVZJCS-GFCCVEGCSA-N 1 1 337.449 0.253 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000364990908 267394046 /nfs/dbraw/zinc/39/40/46/267394046.db2.gz IJIZXGRYKPJICT-AWEZNQCLSA-N 1 1 337.445 0.944 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000364990908 267394050 /nfs/dbraw/zinc/39/40/50/267394050.db2.gz IJIZXGRYKPJICT-AWEZNQCLSA-N 1 1 337.445 0.944 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)CC2)c1C#N ZINC000530355969 268090227 /nfs/dbraw/zinc/09/02/27/268090227.db2.gz XJSUKQHSYLTYAV-AWEZNQCLSA-N 1 1 345.451 0.526 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000365320059 268263509 /nfs/dbraw/zinc/26/35/09/268263509.db2.gz MXSMYMJKLDOKIU-HUUCEWRRSA-N 1 1 328.372 0.476 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccnc2N2CCOCC2)C1 ZINC000329208155 277225921 /nfs/dbraw/zinc/22/59/21/277225921.db2.gz BONNNFPNIFXDMI-CQSZACIVSA-N 1 1 334.420 0.944 20 30 ECEDMO C[C@@H](c1ccc(NC(=O)NCC(=O)NCC#N)cc1)[NH+]1CCOCC1 ZINC000349330978 277648463 /nfs/dbraw/zinc/64/84/63/277648463.db2.gz NENXKUWTYBFRLP-ZDUSSCGKSA-N 1 1 345.403 0.841 20 30 ECEDMO CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000331187646 277857980 /nfs/dbraw/zinc/85/79/80/277857980.db2.gz UHLJXLDYEIRRBD-KBPBESRZSA-N 1 1 342.484 0.838 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054887260 278134661 /nfs/dbraw/zinc/13/46/61/278134661.db2.gz PHUITNMRRXMNJI-CABCVRRESA-N 1 1 336.436 0.318 20 30 ECEDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000186956997 278396398 /nfs/dbraw/zinc/39/63/98/278396398.db2.gz JHUYPOKWQWEEPF-UONOGXRCSA-N 1 1 330.384 0.680 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000186956997 278396399 /nfs/dbraw/zinc/39/63/99/278396399.db2.gz JHUYPOKWQWEEPF-UONOGXRCSA-N 1 1 330.384 0.680 20 30 ECEDMO C=CC[N@@H+](CC(=O)NC(=O)NC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343572920 437604990 /nfs/dbraw/zinc/60/49/90/437604990.db2.gz PKHZKYKCTPXNAQ-LBPRGKRZSA-N 1 1 343.391 0.667 20 30 ECEDMO C=CC[N@H+](CC(=O)NC(=O)NC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343572920 437604995 /nfs/dbraw/zinc/60/49/95/437604995.db2.gz PKHZKYKCTPXNAQ-LBPRGKRZSA-N 1 1 343.391 0.667 20 30 ECEDMO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000343625825 437608304 /nfs/dbraw/zinc/60/83/04/437608304.db2.gz LGGYNZAJSQIEAD-QLFBSQMISA-N 1 1 348.472 0.912 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C3(C#N)CCOCC3)C2)CC1 ZINC000112930405 290025432 /nfs/dbraw/zinc/02/54/32/290025432.db2.gz YJDHRHWCTGNNSW-HNNXBMFYSA-N 1 1 348.447 0.319 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329520291 290170205 /nfs/dbraw/zinc/17/02/05/290170205.db2.gz QHQRADYODULWLF-BYNSBNAKSA-N 1 1 334.424 0.548 20 30 ECEDMO C=CCNC(=O)NC(=O)CN[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000190004686 437615428 /nfs/dbraw/zinc/61/54/28/437615428.db2.gz KBSXBWMLAOTSFC-CABCVRRESA-N 1 1 340.468 0.725 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(C(=O)NCC(=O)NCC#N)C[C@H]2[C@H]1c1ccccc1 ZINC000377065840 290284372 /nfs/dbraw/zinc/28/43/72/290284372.db2.gz HLXDRNPJOUXBEI-BFYDXBDKSA-N 1 1 341.415 0.570 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NC[C@]2(C)CCCS2)CC1 ZINC000331012900 290422769 /nfs/dbraw/zinc/42/27/69/290422769.db2.gz WITIJBUYOZLAKR-HNNXBMFYSA-N 1 1 328.482 0.986 20 30 ECEDMO C[C@H](CNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)[N@@H+](C)C1CC1 ZINC000330201422 298244892 /nfs/dbraw/zinc/24/48/92/298244892.db2.gz XTNJZKIKEGTFNO-DGCLKSJQSA-N 1 1 332.470 0.349 20 30 ECEDMO C[C@](O)(CNC(=O)NCc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000073630046 436084058 /nfs/dbraw/zinc/08/40/58/436084058.db2.gz LSTOMNQBXMRMHM-KRWDZBQOSA-N 1 1 332.404 0.441 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000076964084 436220836 /nfs/dbraw/zinc/22/08/36/436220836.db2.gz AJNVEVSIWAZFFP-ZIAGYGMSSA-N 1 1 344.481 0.256 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000076964084 436220844 /nfs/dbraw/zinc/22/08/44/436220844.db2.gz AJNVEVSIWAZFFP-ZIAGYGMSSA-N 1 1 344.481 0.256 20 30 ECEDMO C[NH+]1CCC(CNC(=O)N2CCO[C@H](C#N)C2)(N2CCCCC2)CC1 ZINC000080493440 436319937 /nfs/dbraw/zinc/31/99/37/436319937.db2.gz ALOCXNHERAYQOI-MRXNPFEDSA-N 1 1 349.479 0.871 20 30 ECEDMO C[NH+]1CCC(CNC(=O)N2CCO[C@@H](C#N)C2)(N2CCCCC2)CC1 ZINC000080493443 436320660 /nfs/dbraw/zinc/32/06/60/436320660.db2.gz ALOCXNHERAYQOI-INIZCTEOSA-N 1 1 349.479 0.871 20 30 ECEDMO CN(CC(=O)Nc1cccc(C#N)c1)C[C@H](O)C[NH+]1CCOCC1 ZINC000083245028 436370471 /nfs/dbraw/zinc/37/04/71/436370471.db2.gz BGKVYSCUEHCNGU-INIZCTEOSA-N 1 1 332.404 0.122 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000085855990 436392697 /nfs/dbraw/zinc/39/26/97/436392697.db2.gz DDXSVYZOEFLDDC-BRWVUGGUSA-N 1 1 336.480 0.916 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000081759012 436355980 /nfs/dbraw/zinc/35/59/80/436355980.db2.gz ITYUPIQJHKOLOT-HNNXBMFYSA-N 1 1 343.431 0.523 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](C)CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000091220056 436446300 /nfs/dbraw/zinc/44/63/00/436446300.db2.gz VAOPJHWLFIHULQ-AWEZNQCLSA-N 1 1 329.466 0.550 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000091581206 436454732 /nfs/dbraw/zinc/45/47/32/436454732.db2.gz NFXZXVIIOTXIRC-QZTJIDSGSA-N 1 1 349.523 0.952 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@H](O)C3)CC2)o1 ZINC000093342753 436486503 /nfs/dbraw/zinc/48/65/03/436486503.db2.gz KSICAVZAEJJJJE-IUODEOHRSA-N 1 1 347.419 0.206 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052134043 436502244 /nfs/dbraw/zinc/50/22/44/436502244.db2.gz DFHALBLEIOEKAN-OAHLLOKOSA-N 1 1 343.493 0.981 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052134043 436502247 /nfs/dbraw/zinc/50/22/47/436502247.db2.gz DFHALBLEIOEKAN-OAHLLOKOSA-N 1 1 343.493 0.981 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000105807948 436578736 /nfs/dbraw/zinc/57/87/36/436578736.db2.gz CHMOXLUGFRUGJW-ZDUSSCGKSA-N 1 1 332.408 0.389 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000101909741 436549509 /nfs/dbraw/zinc/54/95/09/436549509.db2.gz MSSDGLKPMCWGAW-UONOGXRCSA-N 1 1 338.452 0.871 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3(C#N)CCOCC3)C2)CC1 ZINC000112930403 436635545 /nfs/dbraw/zinc/63/55/45/436635545.db2.gz YJDHRHWCTGNNSW-OAHLLOKOSA-N 1 1 348.447 0.319 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000547417670 302257447 /nfs/dbraw/zinc/25/74/47/302257447.db2.gz UTGIQURXDMABKI-KRWDZBQOSA-N 1 1 348.403 0.772 20 30 ECEDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000116887618 436654405 /nfs/dbraw/zinc/65/44/05/436654405.db2.gz MSCDUNOQFZRBHL-CQSZACIVSA-N 1 1 336.417 0.510 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)c2ccccc2OCC)CC1 ZINC000064442588 436649073 /nfs/dbraw/zinc/64/90/73/436649073.db2.gz ORKIKHMISVXMTL-UHFFFAOYSA-N 1 1 343.427 0.983 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634229 436650008 /nfs/dbraw/zinc/65/00/08/436650008.db2.gz CMQGIVUQJMWVPI-ZDUSSCGKSA-N 1 1 344.419 0.700 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634229 436650011 /nfs/dbraw/zinc/65/00/11/436650011.db2.gz CMQGIVUQJMWVPI-ZDUSSCGKSA-N 1 1 344.419 0.700 20 30 ECEDMO CO/N=C(/C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C)c1ccco1 ZINC000271681926 436694307 /nfs/dbraw/zinc/69/43/07/436694307.db2.gz CCAILMOSQXWYEB-FUYOWACXSA-N 1 1 337.376 0.726 20 30 ECEDMO CO/N=C(/C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C)c1ccco1 ZINC000271681926 436694310 /nfs/dbraw/zinc/69/43/10/436694310.db2.gz CCAILMOSQXWYEB-FUYOWACXSA-N 1 1 337.376 0.726 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000139274779 436664684 /nfs/dbraw/zinc/66/46/84/436664684.db2.gz UNCNKXSOKFEQHJ-GASCZTMLSA-N 1 1 331.416 0.329 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)ccc1F ZINC000119802847 436672287 /nfs/dbraw/zinc/67/22/87/436672287.db2.gz RTVBGAFQEAFXBS-GFCCVEGCSA-N 1 1 326.397 0.702 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)ccc1F ZINC000119802847 436672293 /nfs/dbraw/zinc/67/22/93/436672293.db2.gz RTVBGAFQEAFXBS-GFCCVEGCSA-N 1 1 326.397 0.702 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C#N)CC2)CC1 ZINC000144098138 436676620 /nfs/dbraw/zinc/67/66/20/436676620.db2.gz KZHKKKDXHHWIHG-UHFFFAOYSA-N 1 1 335.452 0.922 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)nn1CCC#N ZINC000271053546 436677736 /nfs/dbraw/zinc/67/77/36/436677736.db2.gz XPUMBKBRTNMDMI-CYBMUJFWSA-N 1 1 346.435 0.892 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1C#N ZINC000124419008 436749403 /nfs/dbraw/zinc/74/94/03/436749403.db2.gz IBINRKDXOWWRTQ-SWLSCSKDSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC000124419008 436749408 /nfs/dbraw/zinc/74/94/08/436749408.db2.gz IBINRKDXOWWRTQ-SWLSCSKDSA-N 1 1 330.388 0.641 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCO[C@@H](C#N)C1 ZINC000246849508 436786702 /nfs/dbraw/zinc/78/67/02/436786702.db2.gz ZZTFJDDCIGXIFM-NXHRZFHOSA-N 1 1 342.443 0.990 20 30 ECEDMO C=C(C)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000126552573 436788787 /nfs/dbraw/zinc/78/87/87/436788787.db2.gz SRBARBRZNHNBTQ-UHFFFAOYSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000129436387 436827009 /nfs/dbraw/zinc/82/70/09/436827009.db2.gz LJLBIFWNZZFJAK-IRXDYDNUSA-N 1 1 329.448 0.543 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000293467819 436879239 /nfs/dbraw/zinc/87/92/39/436879239.db2.gz URZDSEPBAXOVKL-UHFFFAOYSA-N 1 1 348.359 0.613 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CC=CCC1 ZINC000280557029 436904538 /nfs/dbraw/zinc/90/45/38/436904538.db2.gz WKXZYOWKSFOPKX-UHFFFAOYSA-N 1 1 328.372 0.883 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000280557029 436904543 /nfs/dbraw/zinc/90/45/43/436904543.db2.gz WKXZYOWKSFOPKX-UHFFFAOYSA-N 1 1 328.372 0.883 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H](O)C2)c(OC)c1 ZINC000295080655 436961795 /nfs/dbraw/zinc/96/17/95/436961795.db2.gz BAWHZTQAWRBDMV-HOTGVXAUSA-N 1 1 337.416 0.857 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166566644 436938584 /nfs/dbraw/zinc/93/85/84/436938584.db2.gz XXIDJCRBJYVGSF-GFCCVEGCSA-N 1 1 348.403 0.874 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000281250760 436958986 /nfs/dbraw/zinc/95/89/86/436958986.db2.gz MNEJDVDQLVTBQD-MRXNPFEDSA-N 1 1 338.415 0.720 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000294631188 436960384 /nfs/dbraw/zinc/96/03/84/436960384.db2.gz PHQIBXBQMJRKNX-UHFFFAOYSA-N 1 1 343.427 0.869 20 30 ECEDMO N#C[C@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000171731413 436988691 /nfs/dbraw/zinc/98/86/91/436988691.db2.gz MPPVLBQKMFKNKD-KRWDZBQOSA-N 1 1 328.416 0.555 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2cc(C)on2)CC1 ZINC000296889625 436998061 /nfs/dbraw/zinc/99/80/61/436998061.db2.gz MGOIQUAXISPQKE-UHFFFAOYSA-N 1 1 333.436 0.765 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000281791950 436998103 /nfs/dbraw/zinc/99/81/03/436998103.db2.gz UPCXRLKEMDRAKN-GOSISDBHSA-N 1 1 342.399 0.902 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)CCCn1cc[nH+]c1C ZINC000281805623 436998678 /nfs/dbraw/zinc/99/86/78/436998678.db2.gz QYACVNFCSPNNNV-UHFFFAOYSA-N 1 1 343.453 0.620 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N2CCS(=O)(=O)C[C@H]2C)CC1 ZINC000172385403 437012177 /nfs/dbraw/zinc/01/21/77/437012177.db2.gz VHFXFYNIVIHGIH-CYBMUJFWSA-N 1 1 329.466 0.855 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285554089 437079839 /nfs/dbraw/zinc/07/98/39/437079839.db2.gz JBLXROCSZBDJOH-OAHLLOKOSA-N 1 1 343.493 0.790 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285554089 437079842 /nfs/dbraw/zinc/07/98/42/437079842.db2.gz JBLXROCSZBDJOH-OAHLLOKOSA-N 1 1 343.493 0.790 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000305071161 437160946 /nfs/dbraw/zinc/16/09/46/437160946.db2.gz TVBQGVFZDMMEQC-SJORKVTESA-N 1 1 345.443 0.945 20 30 ECEDMO C[C@H](O)C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000305768626 437165336 /nfs/dbraw/zinc/16/53/36/437165336.db2.gz GEVVWQKXKRWHHR-UONOGXRCSA-N 1 1 336.461 0.770 20 30 ECEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCn1cnc(C#N)n1 ZINC000287266325 437173718 /nfs/dbraw/zinc/17/37/18/437173718.db2.gz XYHPWJZHULSXDL-MJBXVCDLSA-N 1 1 333.440 0.815 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@@H+]1C[C@H](C)O ZINC000331912147 437180845 /nfs/dbraw/zinc/18/08/45/437180845.db2.gz DBWLLOUDZWMYSV-UONOGXRCSA-N 1 1 329.466 0.787 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@H+]1C[C@H](C)O ZINC000331912147 437180850 /nfs/dbraw/zinc/18/08/50/437180850.db2.gz DBWLLOUDZWMYSV-UONOGXRCSA-N 1 1 329.466 0.787 20 30 ECEDMO C[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@@H+]1CC(C)(C)O ZINC000332024946 437196845 /nfs/dbraw/zinc/19/68/45/437196845.db2.gz WFFITOWGCPGKSP-ZDUSSCGKSA-N 1 1 329.466 0.787 20 30 ECEDMO C[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@H+]1CC(C)(C)O ZINC000332024946 437196848 /nfs/dbraw/zinc/19/68/48/437196848.db2.gz WFFITOWGCPGKSP-ZDUSSCGKSA-N 1 1 329.466 0.787 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179511665 437266150 /nfs/dbraw/zinc/26/61/50/437266150.db2.gz HCCQYAZNPNBPDW-GFCCVEGCSA-N 1 1 332.408 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000179561207 437268297 /nfs/dbraw/zinc/26/82/97/437268297.db2.gz JJBLBQSLASQCNJ-OAHLLOKOSA-N 1 1 344.415 0.952 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000178581003 437218813 /nfs/dbraw/zinc/21/88/13/437218813.db2.gz IAGQXMWPUHVKIH-AWEZNQCLSA-N 1 1 329.404 0.275 20 30 ECEDMO CNC(=O)c1ccn([C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000328647250 437245527 /nfs/dbraw/zinc/24/55/27/437245527.db2.gz TWAJAASRZBSSJV-ZIAGYGMSSA-N 1 1 346.435 0.640 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277770373 437251444 /nfs/dbraw/zinc/25/14/44/437251444.db2.gz MXPADWSAZLVENE-YQQAZPJKSA-N 1 1 333.436 0.482 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277770373 437251448 /nfs/dbraw/zinc/25/14/48/437251448.db2.gz MXPADWSAZLVENE-YQQAZPJKSA-N 1 1 333.436 0.482 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277770376 437252142 /nfs/dbraw/zinc/25/21/42/437252142.db2.gz MXPADWSAZLVENE-ZOBUZTSGSA-N 1 1 333.436 0.482 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277770376 437252145 /nfs/dbraw/zinc/25/21/45/437252145.db2.gz MXPADWSAZLVENE-ZOBUZTSGSA-N 1 1 333.436 0.482 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277799804 437256292 /nfs/dbraw/zinc/25/62/92/437256292.db2.gz KNMFKRGFJPNTDP-HZPDHXFCSA-N 1 1 326.400 0.870 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277799804 437256298 /nfs/dbraw/zinc/25/62/98/437256298.db2.gz KNMFKRGFJPNTDP-HZPDHXFCSA-N 1 1 326.400 0.870 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000288269902 437302617 /nfs/dbraw/zinc/30/26/17/437302617.db2.gz USPAKYPJPDGMBP-UHFFFAOYSA-N 1 1 346.431 0.601 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000278356659 437307026 /nfs/dbraw/zinc/30/70/26/437307026.db2.gz RBONSDXYRVIZAJ-KBAYOESNSA-N 1 1 334.416 0.937 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCCn2ccnc2)CC1 ZINC000181089550 437309531 /nfs/dbraw/zinc/30/95/31/437309531.db2.gz ZZTASHXSVZNHHJ-KRWDZBQOSA-N 1 1 346.479 0.897 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC2(O)CCOCC2)C1 ZINC000329071900 437312790 /nfs/dbraw/zinc/31/27/90/437312790.db2.gz NXTRUTVLCRQELU-AWEZNQCLSA-N 1 1 329.441 0.388 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000329089462 437316692 /nfs/dbraw/zinc/31/66/92/437316692.db2.gz WAPXMIBFSLTFFG-QXSJWSMHSA-N 1 1 340.468 0.008 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)cc1 ZINC001041727905 782067781 /nfs/dbraw/zinc/06/77/81/782067781.db2.gz RLNCWFRHPHKIMS-LJQANCHMSA-N 1 1 341.411 0.722 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)N1CC[NH+](C)CC1 ZINC000329090988 437317231 /nfs/dbraw/zinc/31/72/31/437317231.db2.gz WSUPDYGOFCEDGZ-WOSRLPQWSA-N 1 1 348.451 0.284 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000329089461 437317498 /nfs/dbraw/zinc/31/74/98/437317498.db2.gz WAPXMIBFSLTFFG-QKPAOTATSA-N 1 1 340.468 0.008 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCCS(=O)(=O)CC2)C1 ZINC000329006938 437300159 /nfs/dbraw/zinc/30/01/59/437300159.db2.gz NDZAGCMMAREISN-AWEZNQCLSA-N 1 1 331.482 0.999 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)s1 ZINC000267169036 437300999 /nfs/dbraw/zinc/30/09/99/437300999.db2.gz HRRMXMNAIIIKFZ-ZIAGYGMSSA-N 1 1 341.458 0.207 20 30 ECEDMO C[C@@H]1CC(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000329303529 437349088 /nfs/dbraw/zinc/34/90/88/437349088.db2.gz WXAIOXWSLZTMBF-ZIAGYGMSSA-N 1 1 340.468 0.858 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC000329318572 437352240 /nfs/dbraw/zinc/35/22/40/437352240.db2.gz SUWAXRWTMLWDQS-UHFFFAOYSA-N 1 1 345.465 0.464 20 30 ECEDMO CN1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1=O ZINC000329496209 437376744 /nfs/dbraw/zinc/37/67/44/437376744.db2.gz UVJAPJLJIWTOPK-SWLSCSKDSA-N 1 1 334.424 0.449 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2COCCO2)CC1 ZINC000329403306 437364404 /nfs/dbraw/zinc/36/44/04/437364404.db2.gz WQJUATCSASRRTM-HZPDHXFCSA-N 1 1 340.468 0.418 20 30 ECEDMO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1C[C@H]([NH+]3CCOCC3)C[C@@H]1C)CC2 ZINC000329423615 437367893 /nfs/dbraw/zinc/36/78/93/437367893.db2.gz HVLWSAFZSUUAKK-NWANDNLSSA-N 1 1 348.451 0.610 20 30 ECEDMO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000337671978 437376281 /nfs/dbraw/zinc/37/62/81/437376281.db2.gz WIOKTJITJLIKNK-SFHVURJKSA-N 1 1 331.416 0.927 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000337146160 437335264 /nfs/dbraw/zinc/33/52/64/437335264.db2.gz FIRRFQWZQQMPDI-ZDUSSCGKSA-N 1 1 332.470 0.244 20 30 ECEDMO N#CCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000329226793 437336758 /nfs/dbraw/zinc/33/67/58/437336758.db2.gz HQCJKKNJEZBQBM-OAHLLOKOSA-N 1 1 334.420 0.214 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000329224055 437337035 /nfs/dbraw/zinc/33/70/35/437337035.db2.gz YZPIAWRUZWHUJY-LBPRGKRZSA-N 1 1 332.408 0.961 20 30 ECEDMO C[C@H](CNC(=O)NC[C@@H]1CN(C)CCN1C)[NH+]1CCC(C)CC1 ZINC000329228121 437337782 /nfs/dbraw/zinc/33/77/82/437337782.db2.gz AHWLFPHHXGRUBN-HZPDHXFCSA-N 1 1 325.501 0.856 20 30 ECEDMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)CC#N)c2)CC1 ZINC000185093382 437425659 /nfs/dbraw/zinc/42/56/59/437425659.db2.gz NJHZJTHZMFQCDC-UHFFFAOYSA-N 1 1 336.417 0.865 20 30 ECEDMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)CC#N)c2)CC1 ZINC000185093382 437425663 /nfs/dbraw/zinc/42/56/63/437425663.db2.gz NJHZJTHZMFQCDC-UHFFFAOYSA-N 1 1 336.417 0.865 20 30 ECEDMO C[C@@H]1CCS(=O)(=O)CCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000330331335 437483885 /nfs/dbraw/zinc/48/38/85/437483885.db2.gz OAIKLVIUYTWVNI-CHWSQXEVSA-N 1 1 329.466 0.894 20 30 ECEDMO NC(=O)c1ncn([C@@H]2CCCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)n1 ZINC000330341285 437485907 /nfs/dbraw/zinc/48/59/07/437485907.db2.gz ZBFIROGAKGTRGS-DGCLKSJQSA-N 1 1 347.423 0.165 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1)[NH+]1CCOCC1 ZINC000329955029 437436480 /nfs/dbraw/zinc/43/64/80/437436480.db2.gz ORQKSIFQERSMIX-JYJNAYRXSA-N 1 1 340.468 0.272 20 30 ECEDMO CC(C)N1C[C@@H](NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1=O ZINC000329975181 437439502 /nfs/dbraw/zinc/43/95/02/437439502.db2.gz DNSJSUKKUPYGEP-CABCVRRESA-N 1 1 339.484 0.525 20 30 ECEDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCOCCC#N)C1 ZINC000339137155 437443723 /nfs/dbraw/zinc/44/37/23/437443723.db2.gz QIBAIBVUAZCZBS-AWEZNQCLSA-N 1 1 333.454 0.289 20 30 ECEDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCOCCC#N)C1 ZINC000339137155 437443727 /nfs/dbraw/zinc/44/37/27/437443727.db2.gz QIBAIBVUAZCZBS-AWEZNQCLSA-N 1 1 333.454 0.289 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@]2(O)CCSC2)C1 ZINC000330098776 437454872 /nfs/dbraw/zinc/45/48/72/437454872.db2.gz ZHCYTNIUPVFIHF-UKRRQHHQSA-N 1 1 331.482 0.715 20 30 ECEDMO Cc1cc(C#N)ccc1C[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000186160682 437463231 /nfs/dbraw/zinc/46/32/31/437463231.db2.gz BZTKNFTXXSOJOX-UHFFFAOYSA-N 1 1 342.443 0.843 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339416504 437465103 /nfs/dbraw/zinc/46/51/03/437465103.db2.gz GHPDAUMJZPDNOM-UKPHBRMFSA-N 1 1 348.451 0.850 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339416504 437465105 /nfs/dbraw/zinc/46/51/05/437465105.db2.gz GHPDAUMJZPDNOM-UKPHBRMFSA-N 1 1 348.451 0.850 20 30 ECEDMO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2ncccn2)CC1 ZINC000330196747 437467576 /nfs/dbraw/zinc/46/75/76/437467576.db2.gz QUPLZWZUPZODMA-CYBMUJFWSA-N 1 1 327.392 0.724 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(N(CC)S(C)(=O)=O)CC2)C1=O ZINC000330381701 437496057 /nfs/dbraw/zinc/49/60/57/437496057.db2.gz INFULKOTBYTIFN-CQSZACIVSA-N 1 1 329.466 0.519 20 30 ECEDMO C=CCCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339722308 437500489 /nfs/dbraw/zinc/50/04/89/437500489.db2.gz CXJXMKHAHVWUFS-HNNXBMFYSA-N 1 1 325.453 0.932 20 30 ECEDMO COC[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000330419224 437507705 /nfs/dbraw/zinc/50/77/05/437507705.db2.gz QCVJGSKJVAHKSX-ZDUSSCGKSA-N 1 1 326.441 0.421 20 30 ECEDMO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000360352054 437586509 /nfs/dbraw/zinc/58/65/09/437586509.db2.gz ALIXWUSLHHQDAW-MRXNPFEDSA-N 1 1 348.403 0.579 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2noc(C)c2C#N)[C@H](C)C1 ZINC000354478084 437626972 /nfs/dbraw/zinc/62/69/72/437626972.db2.gz LQUGZJZXBGTZFG-LLVKDONJSA-N 1 1 334.376 0.493 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2noc(C)c2C#N)[C@H](C)C1 ZINC000354478084 437626977 /nfs/dbraw/zinc/62/69/77/437626977.db2.gz LQUGZJZXBGTZFG-LLVKDONJSA-N 1 1 334.376 0.493 20 30 ECEDMO COC(=O)C1(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCCCC1 ZINC000330849246 437634000 /nfs/dbraw/zinc/63/40/00/437634000.db2.gz PGIHXKCSYVYABC-AWEZNQCLSA-N 1 1 340.468 0.859 20 30 ECEDMO C=CCOCCCC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000343727722 437638356 /nfs/dbraw/zinc/63/83/56/437638356.db2.gz MHZWUJHOFQCPKK-CQSZACIVSA-N 1 1 332.466 0.547 20 30 ECEDMO C[C@H](CNC(=O)NCC(=O)NCC#N)[N@H+]1CCc2ccccc2C1 ZINC000343745612 437644644 /nfs/dbraw/zinc/64/46/44/437644644.db2.gz UBSGJZXLZMRYBZ-CYBMUJFWSA-N 1 1 329.404 0.372 20 30 ECEDMO CC#CCCNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000361647341 437678587 /nfs/dbraw/zinc/67/85/87/437678587.db2.gz YEPBADAIKMUJBO-UHFFFAOYSA-N 1 1 334.464 0.986 20 30 ECEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000344863787 437765710 /nfs/dbraw/zinc/76/57/10/437765710.db2.gz WMMUGAFQOFFBLW-ZDUSSCGKSA-N 1 1 348.451 1.511 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000363092201 437768806 /nfs/dbraw/zinc/76/88/06/437768806.db2.gz PMXLZYMCVPCGNB-AWEZNQCLSA-N 1 1 346.431 0.407 20 30 ECEDMO CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@@H](C)C#N ZINC000356479599 437770496 /nfs/dbraw/zinc/77/04/96/437770496.db2.gz RPBOCQYLRWHVAE-HNNXBMFYSA-N 1 1 330.436 0.997 20 30 ECEDMO C[C@H](CNC(=O)N1CCC(F)(C#N)CC1)CN1CC[NH+](C)CC1 ZINC000345101938 437780002 /nfs/dbraw/zinc/78/00/02/437780002.db2.gz GTBYLLQGWNJNJA-CQSZACIVSA-N 1 1 325.432 0.907 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000370544300 437800368 /nfs/dbraw/zinc/80/03/68/437800368.db2.gz RIYOLXMCVJTJNZ-INIZCTEOSA-N 1 1 343.431 0.711 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000370544300 437800374 /nfs/dbraw/zinc/80/03/74/437800374.db2.gz RIYOLXMCVJTJNZ-INIZCTEOSA-N 1 1 343.431 0.711 20 30 ECEDMO C[C@](CO)([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(O)c1 ZINC000347713629 437938373 /nfs/dbraw/zinc/93/83/73/437938373.db2.gz BQJWHZUKFHDETC-QGZVFWFLSA-N 1 1 330.388 0.845 20 30 ECEDMO C=CCn1cc(CNc2nc(N)c3cc(OC)c(OC)cc3[nH+]2)nn1 ZINC000425261638 438019058 /nfs/dbraw/zinc/01/90/58/438019058.db2.gz DVAJVTBYTPFOES-UHFFFAOYSA-N 1 1 341.375 1.041 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000425895034 438046119 /nfs/dbraw/zinc/04/61/19/438046119.db2.gz ZOTHRIIBXMNBBM-GJZGRUSLSA-N 1 1 334.420 0.795 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000425908814 438046331 /nfs/dbraw/zinc/04/63/31/438046331.db2.gz KJSSSOGHIDCANV-PMPSAXMXSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCn1cc(CNC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)nn1 ZINC000425869839 438047639 /nfs/dbraw/zinc/04/76/39/438047639.db2.gz GCASJEAZIXKNKH-UHFFFAOYSA-N 1 1 349.483 0.679 20 30 ECEDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000371866870 438003707 /nfs/dbraw/zinc/00/37/07/438003707.db2.gz SENOUDFRMDNORC-GFCCVEGCSA-N 1 1 342.403 0.384 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426145772 438050191 /nfs/dbraw/zinc/05/01/91/438050191.db2.gz NJLGWZQAUVFUHS-VXGBXAGGSA-N 1 1 348.369 0.995 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000430391705 438111194 /nfs/dbraw/zinc/11/11/94/438111194.db2.gz GYTWNSFEGPQPMY-HZPDHXFCSA-N 1 1 335.448 0.638 20 30 ECEDMO C=CCCOCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000366754444 438121600 /nfs/dbraw/zinc/12/16/00/438121600.db2.gz FOMWPRCQXAFOCG-INIZCTEOSA-N 1 1 340.468 0.285 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000358210370 438182928 /nfs/dbraw/zinc/18/29/28/438182928.db2.gz JBYAWISNBVNSFI-ZDUSSCGKSA-N 1 1 329.809 0.557 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCC(=O)N(C)CCC#N)O1 ZINC000367226098 438185331 /nfs/dbraw/zinc/18/53/31/438185331.db2.gz TXWVHCVCNDDFSS-TUVASFSCSA-N 1 1 337.420 0.932 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000358229054 438187509 /nfs/dbraw/zinc/18/75/09/438187509.db2.gz QWFUQUDGZIMHMP-ZDUSSCGKSA-N 1 1 329.809 0.557 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000367250426 438188195 /nfs/dbraw/zinc/18/81/95/438188195.db2.gz IMFYBIWLKYAIBM-HUUCEWRRSA-N 1 1 343.497 0.034 20 30 ECEDMO C=CCn1c(C)nnc1N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000350787417 438229683 /nfs/dbraw/zinc/22/96/83/438229683.db2.gz AXTJEUWDVCAZPA-UHFFFAOYSA-N 1 1 328.424 0.955 20 30 ECEDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cc(S(N)(=O)=O)ccc2C#N)C1 ZINC000367333343 438197310 /nfs/dbraw/zinc/19/73/10/438197310.db2.gz QMEWKARMQMYMEG-GFCCVEGCSA-N 1 1 331.401 0.933 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350181165 438201543 /nfs/dbraw/zinc/20/15/43/438201543.db2.gz LCPDKTUOAPGURH-HUUCEWRRSA-N 1 1 340.468 0.819 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419000768 438278816 /nfs/dbraw/zinc/27/88/16/438278816.db2.gz VZQAZPJEOUDSEQ-HNNXBMFYSA-N 1 1 332.404 0.263 20 30 ECEDMO C[C@H]1C[NH+](CCCCNS(=O)(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000351592787 438296496 /nfs/dbraw/zinc/29/64/96/438296496.db2.gz AKQUNNDJPVSDAV-KBPBESRZSA-N 1 1 332.470 0.556 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(c2cc(S(N)(=O)=O)ccc2C#N)CC1 ZINC000367824230 438253385 /nfs/dbraw/zinc/25/33/85/438253385.db2.gz GDYCAFVZOHSGQB-LBPRGKRZSA-N 1 1 338.433 0.099 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccn3)C2)CC1 ZINC000368548805 438345838 /nfs/dbraw/zinc/34/58/38/438345838.db2.gz LWRGZTIUIZIYJL-HNNXBMFYSA-N 1 1 326.400 0.602 20 30 ECEDMO C#CCCS(=O)(=O)N(C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000377344895 438309763 /nfs/dbraw/zinc/30/97/63/438309763.db2.gz VMJJYHBMVWGRDH-UHFFFAOYSA-N 1 1 341.477 0.358 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)n1 ZINC000359250377 438391851 /nfs/dbraw/zinc/39/18/51/438391851.db2.gz KPLCDHGSGSQLIO-UHFFFAOYSA-N 1 1 344.419 0.971 20 30 ECEDMO C#CCCCCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000378119681 438351747 /nfs/dbraw/zinc/35/17/47/438351747.db2.gz VTUCZQJFKNJPTO-UHFFFAOYSA-N 1 1 334.464 0.986 20 30 ECEDMO N#C[C@@H]1C[N@H+](CC2(O)CCOCC2)C[C@]12C(=O)Nc1ccccc12 ZINC000378261693 438369529 /nfs/dbraw/zinc/36/95/29/438369529.db2.gz UITHKVUMXRARQL-ACJLOTCBSA-N 1 1 327.384 0.873 20 30 ECEDMO CCN(CCC#N)C(=O)CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378429932 438386552 /nfs/dbraw/zinc/38/65/52/438386552.db2.gz MBXDRNWYDHSOAU-QGZVFWFLSA-N 1 1 335.496 0.849 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000392560823 438442408 /nfs/dbraw/zinc/44/24/08/438442408.db2.gz MGMMYUAUNJIXFT-XHSDSOJGSA-N 1 1 329.400 0.898 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352227202 438400185 /nfs/dbraw/zinc/40/01/85/438400185.db2.gz LXLYEDOYNFZUBF-CQSZACIVSA-N 1 1 345.451 0.425 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000407958795 438471842 /nfs/dbraw/zinc/47/18/42/438471842.db2.gz RWDGCEIJRACKLT-STQMWFEESA-N 1 1 332.470 0.100 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000407958795 438471845 /nfs/dbraw/zinc/47/18/45/438471845.db2.gz RWDGCEIJRACKLT-STQMWFEESA-N 1 1 332.470 0.100 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369355296 438460102 /nfs/dbraw/zinc/46/01/02/438460102.db2.gz PPZZMTRWTBRYAU-JKSUJKDBSA-N 1 1 325.453 0.490 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC000353497172 438506304 /nfs/dbraw/zinc/50/63/04/438506304.db2.gz DFDCJGYPGBIUMW-GJZGRUSLSA-N 1 1 338.452 0.612 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000408098753 438512021 /nfs/dbraw/zinc/51/20/21/438512021.db2.gz HLFDWLVVIYUMJE-ZACQAIPSSA-N 1 1 335.496 0.703 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000369867801 438521717 /nfs/dbraw/zinc/52/17/17/438521717.db2.gz MFEZUGJDDQTBAU-STQMWFEESA-N 1 1 332.495 0.446 20 30 ECEDMO O=C(C#Cc1ccccc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000370015531 438540271 /nfs/dbraw/zinc/54/02/71/438540271.db2.gz DYRMKEZSJVMVHV-SFHVURJKSA-N 1 1 327.428 0.561 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000370263449 438566280 /nfs/dbraw/zinc/56/62/80/438566280.db2.gz XWVMYFDDUFLWNT-CYBMUJFWSA-N 1 1 339.417 0.699 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000370263449 438566284 /nfs/dbraw/zinc/56/62/84/438566284.db2.gz XWVMYFDDUFLWNT-CYBMUJFWSA-N 1 1 339.417 0.699 20 30 ECEDMO CCN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000440592970 438557456 /nfs/dbraw/zinc/55/74/56/438557456.db2.gz DHYHVCVJSDUKEJ-HNNXBMFYSA-N 1 1 336.436 0.462 20 30 ECEDMO N#Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1O ZINC000442637571 438613317 /nfs/dbraw/zinc/61/33/17/438613317.db2.gz XVTSBNNJCSGTTA-AWEZNQCLSA-N 1 1 330.388 0.581 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](CO)[C@@H]2C)CC1 ZINC000412080312 438684686 /nfs/dbraw/zinc/68/46/86/438684686.db2.gz LLYLNLYRHDJFPY-BBWFWOEESA-N 1 1 336.480 0.772 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NCC#Cc2ccccc2)CC[N@@H+](C)C1 ZINC000413078187 438691611 /nfs/dbraw/zinc/69/16/11/438691611.db2.gz VQIZYBILNAJXND-INIZCTEOSA-N 1 1 329.400 0.784 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000453726183 438691974 /nfs/dbraw/zinc/69/19/74/438691974.db2.gz RJZMIBFXIFNSMZ-ZIAGYGMSSA-N 1 1 344.415 0.719 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000453726183 438691977 /nfs/dbraw/zinc/69/19/77/438691977.db2.gz RJZMIBFXIFNSMZ-ZIAGYGMSSA-N 1 1 344.415 0.719 20 30 ECEDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000451252295 438696614 /nfs/dbraw/zinc/69/66/14/438696614.db2.gz HCXQRKYOJQQNQV-ZACQAIPSSA-N 1 1 336.480 0.772 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000548863506 438733656 /nfs/dbraw/zinc/73/36/56/438733656.db2.gz PTUBHYQSVOTDOZ-HOTGVXAUSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548863506 438733657 /nfs/dbraw/zinc/73/36/57/438733657.db2.gz PTUBHYQSVOTDOZ-HOTGVXAUSA-N 1 1 334.464 0.982 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000553356433 438749403 /nfs/dbraw/zinc/74/94/03/438749403.db2.gz WQENDULBAWWEOY-INIZCTEOSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000553356433 438749406 /nfs/dbraw/zinc/74/94/06/438749406.db2.gz WQENDULBAWWEOY-INIZCTEOSA-N 1 1 329.404 0.323 20 30 ECEDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000457107015 438794274 /nfs/dbraw/zinc/79/42/74/438794274.db2.gz VYLBWDYZCLJZKR-AWEZNQCLSA-N 1 1 339.399 0.883 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000457107015 438794278 /nfs/dbraw/zinc/79/42/78/438794278.db2.gz VYLBWDYZCLJZKR-AWEZNQCLSA-N 1 1 339.399 0.883 20 30 ECEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000558561369 438813531 /nfs/dbraw/zinc/81/35/31/438813531.db2.gz CZKPKTLYYZJIGN-HUUCEWRRSA-N 1 1 344.481 0.556 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 ZINC000595523772 438814759 /nfs/dbraw/zinc/81/47/59/438814759.db2.gz MAQIRFICLGMQOH-XIRDDKMYSA-N 1 1 345.399 0.082 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC(N3CN=NC3=O)CC2)cc1 ZINC000577136674 438816047 /nfs/dbraw/zinc/81/60/47/438816047.db2.gz NJGGQGVXYFAAEW-UHFFFAOYSA-N 1 1 340.387 0.809 20 30 ECEDMO CN(C)C(=O)[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000595543785 438820353 /nfs/dbraw/zinc/82/03/53/438820353.db2.gz KQVROOYAUUAEEI-JKSUJKDBSA-N 1 1 331.416 0.902 20 30 ECEDMO N#Cc1cc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)ccn1 ZINC000595552709 438823970 /nfs/dbraw/zinc/82/39/70/438823970.db2.gz ZZUALZUBZCNPRM-UHFFFAOYSA-N 1 1 329.404 0.959 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](Nc2nccc(C)c2C#N)CC1=O ZINC000601177893 438828845 /nfs/dbraw/zinc/82/88/45/438828845.db2.gz CODGFBPEXRJSKZ-CQSZACIVSA-N 1 1 331.420 0.853 20 30 ECEDMO C[C@H]1COCC[N@H+]1C1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000559639624 438836203 /nfs/dbraw/zinc/83/62/03/438836203.db2.gz MJOCGBASJPJJNG-KBXCAEBGSA-N 1 1 334.464 0.980 20 30 ECEDMO COCCOC[C@H](O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629733 438836311 /nfs/dbraw/zinc/83/63/11/438836311.db2.gz JPOOWYMMPBHIBU-CYBMUJFWSA-N 1 1 325.434 0.766 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC(CO)(CO)C1 ZINC000595801397 438864969 /nfs/dbraw/zinc/86/49/69/438864969.db2.gz WNUIBVVBAJKPNW-CSLYMUCUSA-N 1 1 337.464 0.982 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC(CO)(CO)C1 ZINC000595801397 438864971 /nfs/dbraw/zinc/86/49/71/438864971.db2.gz WNUIBVVBAJKPNW-CSLYMUCUSA-N 1 1 337.464 0.982 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@@H+](CCN1CCOCC1)CC1CC1)C1CC1 ZINC000595808143 438865227 /nfs/dbraw/zinc/86/52/27/438865227.db2.gz LMCZSQBOCYNOFL-GOSISDBHSA-N 1 1 334.464 0.839 20 30 ECEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)Cn1nnnc1C[NH3+] ZINC000515643509 438875455 /nfs/dbraw/zinc/87/54/55/438875455.db2.gz VFXZDGDLNZELPQ-UHFFFAOYSA-N 1 1 346.395 0.097 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000590599182 438938969 /nfs/dbraw/zinc/93/89/69/438938969.db2.gz FBQFKRIOLFOCKL-INIZCTEOSA-N 1 1 333.436 0.976 20 30 ECEDMO N#CC1(NC(=O)C[NH+]2CCC(c3nc(N)n[nH]3)CC2)CCCCC1 ZINC000590600174 438939222 /nfs/dbraw/zinc/93/92/22/438939222.db2.gz KSMALDQPKIWZSB-UHFFFAOYSA-N 1 1 331.424 0.909 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000578640244 438939518 /nfs/dbraw/zinc/93/95/18/438939518.db2.gz QSNTZTYOOCUJCB-ZNMIVQPWSA-N 1 1 336.436 0.183 20 30 ECEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=CCS(=O)(=O)C1 ZINC000602068931 439007636 /nfs/dbraw/zinc/00/76/36/439007636.db2.gz BSKWELVYAHZUAN-UHFFFAOYSA-N 1 1 347.440 0.803 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)nc1 ZINC000602080793 439008588 /nfs/dbraw/zinc/00/85/88/439008588.db2.gz YOWYBCBJRPXMQL-JKSUJKDBSA-N 1 1 341.415 0.465 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000459820460 439008888 /nfs/dbraw/zinc/00/88/88/439008888.db2.gz IKKYNQJTMBGANW-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000459820460 439008890 /nfs/dbraw/zinc/00/88/90/439008890.db2.gz IKKYNQJTMBGANW-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(CCC#N)CC1)c1ccco1 ZINC000602227540 439043161 /nfs/dbraw/zinc/04/31/61/439043161.db2.gz ZGLMTYWQKUJXDO-AWEZNQCLSA-N 1 1 347.419 0.056 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602241667 439046571 /nfs/dbraw/zinc/04/65/71/439046571.db2.gz JIFKPIAURBFHJS-HNNXBMFYSA-N 1 1 335.452 0.035 20 30 ECEDMO CCC[N@H+]1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 ZINC000596882103 439011880 /nfs/dbraw/zinc/01/18/80/439011880.db2.gz ORGTYTQRXUBDIE-GFCCVEGCSA-N 1 1 333.440 0.922 20 30 ECEDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000591555376 439021102 /nfs/dbraw/zinc/02/11/02/439021102.db2.gz MSVDTNGCTONVTM-CQSZACIVSA-N 1 1 332.379 0.866 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)cc1 ZINC000591634286 439040672 /nfs/dbraw/zinc/04/06/72/439040672.db2.gz TWBDDLBLFTVPIJ-ZACQAIPSSA-N 1 1 349.456 0.965 20 30 ECEDMO N#CC[C@]1(O)CC[N@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000592148041 439166431 /nfs/dbraw/zinc/16/64/31/439166431.db2.gz QKLVFYLPGRMSEG-SFHVURJKSA-N 1 1 344.415 0.241 20 30 ECEDMO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149087 439167325 /nfs/dbraw/zinc/16/73/25/439167325.db2.gz IPCUSBFXVVPXRB-FZKQIMNGSA-N 1 1 345.399 0.828 20 30 ECEDMO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149087 439167331 /nfs/dbraw/zinc/16/73/31/439167331.db2.gz IPCUSBFXVVPXRB-FZKQIMNGSA-N 1 1 345.399 0.828 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000592186628 439174119 /nfs/dbraw/zinc/17/41/19/439174119.db2.gz WQEKOJZYMZCDAQ-ZDUSSCGKSA-N 1 1 332.326 0.549 20 30 ECEDMO CN1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cn2)CC1 ZINC000567381927 439138564 /nfs/dbraw/zinc/13/85/64/439138564.db2.gz RHPLMSZQQVVNJL-OAHLLOKOSA-N 1 1 330.436 0.471 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000592186628 439174107 /nfs/dbraw/zinc/17/41/07/439174107.db2.gz WQEKOJZYMZCDAQ-ZDUSSCGKSA-N 1 1 332.326 0.549 20 30 ECEDMO N#CC[C@]1(O)CC[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000592148041 439166425 /nfs/dbraw/zinc/16/64/25/439166425.db2.gz QKLVFYLPGRMSEG-SFHVURJKSA-N 1 1 344.415 0.241 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)Nc2cc(C)c(C#N)cn2)CC[N@@H+](C)C1 ZINC000603138714 439196499 /nfs/dbraw/zinc/19/64/99/439196499.db2.gz WDGGNNGXTOSSOL-ZDUSSCGKSA-N 1 1 331.376 0.830 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1ccc(CC#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000592340014 439208892 /nfs/dbraw/zinc/20/88/92/439208892.db2.gz WMOAHURWDCXUBD-CJNGLKHVSA-N 1 1 344.415 0.204 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1ccc(CC#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000592340014 439208899 /nfs/dbraw/zinc/20/88/99/439208899.db2.gz WMOAHURWDCXUBD-CJNGLKHVSA-N 1 1 344.415 0.204 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1ccc(CC#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000592340015 439208992 /nfs/dbraw/zinc/20/89/92/439208992.db2.gz WMOAHURWDCXUBD-CZUORRHYSA-N 1 1 344.415 0.204 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1ccc(CC#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000592340015 439208994 /nfs/dbraw/zinc/20/89/94/439208994.db2.gz WMOAHURWDCXUBD-CZUORRHYSA-N 1 1 344.415 0.204 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000490556642 439273870 /nfs/dbraw/zinc/27/38/70/439273870.db2.gz WJNCIZJSXDEZPW-CQSZACIVSA-N 1 1 347.440 0.565 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)c1 ZINC000490655911 439284043 /nfs/dbraw/zinc/28/40/43/439284043.db2.gz DUBMTRSYJTVKAG-AWEZNQCLSA-N 1 1 349.456 0.764 20 30 ECEDMO Cn1c(C#N)ccc1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603410263 439255385 /nfs/dbraw/zinc/25/53/85/439255385.db2.gz HIYFBDXVDHRVFF-HNNXBMFYSA-N 1 1 345.447 0.423 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc1 ZINC000603408100 439255905 /nfs/dbraw/zinc/25/59/05/439255905.db2.gz BMJPWKZKEBLKLV-MRXNPFEDSA-N 1 1 343.431 0.480 20 30 ECEDMO N#CC1(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CCC1 ZINC000603436818 439261241 /nfs/dbraw/zinc/26/12/41/439261241.db2.gz RSJDAWKIBKIAPL-INIZCTEOSA-N 1 1 349.479 0.776 20 30 ECEDMO N#CCC1(CS(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000568653551 439267460 /nfs/dbraw/zinc/26/74/60/439267460.db2.gz DSPUAJHHNXDKNI-CQSZACIVSA-N 1 1 329.466 0.837 20 30 ECEDMO C#C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C ZINC000490987029 439320347 /nfs/dbraw/zinc/32/03/47/439320347.db2.gz WQMLZWFVMXUCPD-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO CN(C[C@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO1)c1cccnn1 ZINC000598596855 439285270 /nfs/dbraw/zinc/28/52/70/439285270.db2.gz UOTFOSQTFNBPCD-CABCVRRESA-N 1 1 333.436 0.914 20 30 ECEDMO CN(C[C@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO1)c1cccnn1 ZINC000598596855 439285274 /nfs/dbraw/zinc/28/52/74/439285274.db2.gz UOTFOSQTFNBPCD-CABCVRRESA-N 1 1 333.436 0.914 20 30 ECEDMO C[NH+]1CCN([C@H](C(=O)N2CC[C@@](O)(CC#N)C2)c2ccccc2)CC1 ZINC000592842205 439287966 /nfs/dbraw/zinc/28/79/66/439287966.db2.gz YZJQZIUBJIRQGL-HKUYNNGSSA-N 1 1 342.443 0.852 20 30 ECEDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000569147961 439309307 /nfs/dbraw/zinc/30/93/07/439309307.db2.gz REPYIYNIAVSENJ-OAHLLOKOSA-N 1 1 326.400 1.000 20 30 ECEDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000569147961 439309311 /nfs/dbraw/zinc/30/93/11/439309311.db2.gz REPYIYNIAVSENJ-OAHLLOKOSA-N 1 1 326.400 1.000 20 30 ECEDMO C#CC[N@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCCCC1 ZINC000490917491 439311838 /nfs/dbraw/zinc/31/18/38/439311838.db2.gz YHPRKFIOBITCLI-UHFFFAOYSA-N 1 1 343.431 0.702 20 30 ECEDMO CN(C)C(=O)[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528518583 439344331 /nfs/dbraw/zinc/34/43/31/439344331.db2.gz DXBXLEAEFDVOJJ-AWEZNQCLSA-N 1 1 339.395 0.696 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000491179841 439344786 /nfs/dbraw/zinc/34/47/86/439344786.db2.gz IDBQMCMDGKKJKQ-OLZOCXBDSA-N 1 1 334.338 0.890 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000491254231 439357569 /nfs/dbraw/zinc/35/75/69/439357569.db2.gz RHOZBTLFKKXRIL-CQSZACIVSA-N 1 1 349.456 0.812 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000582678023 439366593 /nfs/dbraw/zinc/36/65/93/439366593.db2.gz ZNRHFGDSZNSUKY-ZIAGYGMSSA-N 1 1 344.481 0.650 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000582678023 439366598 /nfs/dbraw/zinc/36/65/98/439366598.db2.gz ZNRHFGDSZNSUKY-ZIAGYGMSSA-N 1 1 344.481 0.650 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)CCCC ZINC000491554324 439406904 /nfs/dbraw/zinc/40/69/04/439406904.db2.gz IEUPSZHYMOYPIV-HNNXBMFYSA-N 1 1 343.493 0.652 20 30 ECEDMO O=C(NCC#Cc1ccccc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000570028472 439384260 /nfs/dbraw/zinc/38/42/60/439384260.db2.gz RIBHYNYNIQRINF-QGZVFWFLSA-N 1 1 340.427 0.644 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000491462500 439386349 /nfs/dbraw/zinc/38/63/49/439386349.db2.gz ITGMUSKOKOXLGG-SJORKVTESA-N 1 1 342.443 0.852 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000491454403 439386727 /nfs/dbraw/zinc/38/67/27/439386727.db2.gz YNOAVYIGXCAHQZ-IXDOHACOSA-N 1 1 334.464 0.888 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CC(=O)NCC)CC1 ZINC000491630917 439414560 /nfs/dbraw/zinc/41/45/60/439414560.db2.gz OPTVDYDSQWVNSO-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO C#CCN1C(=O)C[C@H](N2CCC(CCC[N@@H+](C)CCOC)CC2)C1=O ZINC000491637044 439416011 /nfs/dbraw/zinc/41/60/11/439416011.db2.gz UIQSPZOASVVTOC-KRWDZBQOSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCN1C(=O)C[C@H](N2CCC(CCC[N@H+](C)CCOC)CC2)C1=O ZINC000491637044 439416018 /nfs/dbraw/zinc/41/60/18/439416018.db2.gz UIQSPZOASVVTOC-KRWDZBQOSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCNC(=O)C1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000491641312 439416154 /nfs/dbraw/zinc/41/61/54/439416154.db2.gz PYJSKGHVVJPOCA-UHFFFAOYSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)CCNc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000491640359 439416848 /nfs/dbraw/zinc/41/68/48/439416848.db2.gz OJHMVCFMTZVJJI-UHFFFAOYSA-N 1 1 342.443 0.555 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)CC1 ZINC000491645689 439418908 /nfs/dbraw/zinc/41/89/08/439418908.db2.gz PYQVZCJYTNGLMG-QGZVFWFLSA-N 1 1 326.444 0.957 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000593604665 439420382 /nfs/dbraw/zinc/42/03/82/439420382.db2.gz VJENXSJYTYCVBH-NSHDSACASA-N 1 1 329.447 0.745 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000593604665 439420386 /nfs/dbraw/zinc/42/03/86/439420386.db2.gz VJENXSJYTYCVBH-NSHDSACASA-N 1 1 329.447 0.745 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000491682295 439427320 /nfs/dbraw/zinc/42/73/20/439427320.db2.gz RGGWDJSYFODMDF-ZIAGYGMSSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000491682295 439427323 /nfs/dbraw/zinc/42/73/23/439427323.db2.gz RGGWDJSYFODMDF-ZIAGYGMSSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000491711159 439433329 /nfs/dbraw/zinc/43/33/29/439433329.db2.gz ZRSKRXHEKOWGID-KGLIPLIRSA-N 1 1 329.466 0.597 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cn(Cc2noc(C)n2)nn1 ZINC000491805425 439455729 /nfs/dbraw/zinc/45/57/29/439455729.db2.gz ONKDFEPXKGCPDB-LBPRGKRZSA-N 1 1 330.348 0.272 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cn(Cc2noc(C)n2)nn1 ZINC000491805425 439455733 /nfs/dbraw/zinc/45/57/33/439455733.db2.gz ONKDFEPXKGCPDB-LBPRGKRZSA-N 1 1 330.348 0.272 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000491725063 439434827 /nfs/dbraw/zinc/43/48/27/439434827.db2.gz CUBIMELJYWPBHW-GJZGRUSLSA-N 1 1 341.477 0.693 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000491725063 439434833 /nfs/dbraw/zinc/43/48/33/439434833.db2.gz CUBIMELJYWPBHW-GJZGRUSLSA-N 1 1 341.477 0.693 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](CCOC)CC1(C)C ZINC000593657653 439437449 /nfs/dbraw/zinc/43/74/49/439437449.db2.gz PCMRKMGOOBCDCV-CQSZACIVSA-N 1 1 346.497 0.755 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CCOC)CC1(C)C ZINC000593657653 439437455 /nfs/dbraw/zinc/43/74/55/439437455.db2.gz PCMRKMGOOBCDCV-CQSZACIVSA-N 1 1 346.497 0.755 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000491745890 439440488 /nfs/dbraw/zinc/44/04/88/439440488.db2.gz ZCSHJKBAFHCSTF-UHFFFAOYSA-N 1 1 349.353 0.191 20 30 ECEDMO C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCN1S(C)(=O)=O ZINC000599353038 439445217 /nfs/dbraw/zinc/44/52/17/439445217.db2.gz JZERTYWONPNJIC-UONOGXRCSA-N 1 1 345.465 0.023 20 30 ECEDMO C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CCN1S(C)(=O)=O ZINC000599353038 439445219 /nfs/dbraw/zinc/44/52/19/439445219.db2.gz JZERTYWONPNJIC-UONOGXRCSA-N 1 1 345.465 0.023 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000491775632 439448081 /nfs/dbraw/zinc/44/80/81/439448081.db2.gz VINZCNSBENGFPN-KBPBESRZSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000491775632 439448085 /nfs/dbraw/zinc/44/80/85/439448085.db2.gz VINZCNSBENGFPN-KBPBESRZSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000491569330 439408163 /nfs/dbraw/zinc/40/81/63/439408163.db2.gz VPZBKJLNLIZKFQ-HZPDHXFCSA-N 1 1 337.464 0.808 20 30 ECEDMO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599433312 439468324 /nfs/dbraw/zinc/46/83/24/439468324.db2.gz QMLKLKIYTBKBJY-HUUCEWRRSA-N 1 1 344.477 0.957 20 30 ECEDMO CS(=O)(=O)C[C@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599433312 439468328 /nfs/dbraw/zinc/46/83/28/439468328.db2.gz QMLKLKIYTBKBJY-HUUCEWRRSA-N 1 1 344.477 0.957 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCCC[C@H]2CO)CC1 ZINC000594016803 439505950 /nfs/dbraw/zinc/50/59/50/439505950.db2.gz IQFCPFBQSYXDNT-DLBZAZTESA-N 1 1 336.480 0.916 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000491815025 439457146 /nfs/dbraw/zinc/45/71/46/439457146.db2.gz FGTLHOZDCBODML-INIZCTEOSA-N 1 1 349.479 0.729 20 30 ECEDMO CO[C@H]1CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000533011003 439522255 /nfs/dbraw/zinc/52/22/55/439522255.db2.gz SMERCXXSTAMJCB-ZDUSSCGKSA-N 1 1 333.392 0.224 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COC[C@H]1CCCO1 ZINC000535545358 439536899 /nfs/dbraw/zinc/53/68/99/439536899.db2.gz IWNMZYLLBNBEDY-CHWSQXEVSA-N 1 1 337.424 0.284 20 30 ECEDMO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000584220051 439564002 /nfs/dbraw/zinc/56/40/02/439564002.db2.gz HTQMGUPHZKWLGE-LSDHHAIUSA-N 1 1 333.436 0.879 20 30 ECEDMO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000584220051 439564007 /nfs/dbraw/zinc/56/40/07/439564007.db2.gz HTQMGUPHZKWLGE-LSDHHAIUSA-N 1 1 333.436 0.879 20 30 ECEDMO N#CCCCS(=O)(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609543990 439574929 /nfs/dbraw/zinc/57/49/29/439574929.db2.gz SHVURYGCQLYWAF-CYBMUJFWSA-N 1 1 328.438 0.034 20 30 ECEDMO N#CCCCS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609543990 439574934 /nfs/dbraw/zinc/57/49/34/439574934.db2.gz SHVURYGCQLYWAF-CYBMUJFWSA-N 1 1 328.438 0.034 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NC3CCN(CC#N)CC3)C2)CC1 ZINC000609639802 439583191 /nfs/dbraw/zinc/58/31/91/439583191.db2.gz FFHKLKUESKGEMN-MRXNPFEDSA-N 1 1 348.495 0.442 20 30 ECEDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NC3CCN(CC#N)CC3)C2)CC1 ZINC000609639802 439583197 /nfs/dbraw/zinc/58/31/97/439583197.db2.gz FFHKLKUESKGEMN-MRXNPFEDSA-N 1 1 348.495 0.442 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 ZINC000584663630 439607223 /nfs/dbraw/zinc/60/72/23/439607223.db2.gz IBCMSCZSQWXPQE-KBPBESRZSA-N 1 1 328.420 0.727 20 30 ECEDMO C=CCn1cc(CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)nn1 ZINC000572834793 439611732 /nfs/dbraw/zinc/61/17/32/439611732.db2.gz BEDHGWYYACQUCF-UHFFFAOYSA-N 1 1 340.391 0.930 20 30 ECEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610391170 439612831 /nfs/dbraw/zinc/61/28/31/439612831.db2.gz ZXQRAHPEXQQIKV-CABCVRRESA-N 1 1 336.396 0.318 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000594793944 439613407 /nfs/dbraw/zinc/61/34/07/439613407.db2.gz WWOIMVGASOBUKO-CHWSQXEVSA-N 1 1 330.454 0.166 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 ZINC000610423943 439615662 /nfs/dbraw/zinc/61/56/62/439615662.db2.gz KEUGRTTVYOKUER-AWEZNQCLSA-N 1 1 345.403 0.403 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 ZINC000610423943 439615664 /nfs/dbraw/zinc/61/56/64/439615664.db2.gz KEUGRTTVYOKUER-AWEZNQCLSA-N 1 1 345.403 0.403 20 30 ECEDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Cn2cnc(C#N)n2)C[C@@H](C)O1 ZINC000610881958 439652301 /nfs/dbraw/zinc/65/23/01/439652301.db2.gz CGIOIUCGHZBDCX-MGPQQGTHSA-N 1 1 332.408 0.250 20 30 ECEDMO CCN(C(=O)C(=O)Nc1cc(C)n(CCC#N)n1)[C@H]1CC[N@@H+](C)C1 ZINC000595104206 439654601 /nfs/dbraw/zinc/65/46/01/439654601.db2.gz QLZOXWCROZRUKC-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595173630 439668120 /nfs/dbraw/zinc/66/81/20/439668120.db2.gz VBCBTGWPLHCGFJ-SUMWQHHRSA-N 1 1 336.436 0.052 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595173630 439668123 /nfs/dbraw/zinc/66/81/23/439668123.db2.gz VBCBTGWPLHCGFJ-SUMWQHHRSA-N 1 1 336.436 0.052 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000587728064 439669538 /nfs/dbraw/zinc/66/95/38/439669538.db2.gz FRKNSEHKWURKOC-XJKSGUPXSA-N 1 1 344.415 0.572 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595384063 439718039 /nfs/dbraw/zinc/71/80/39/439718039.db2.gz INKBAYOZDNLIHE-DZGCQCFKSA-N 1 1 344.481 0.244 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595384065 439718857 /nfs/dbraw/zinc/71/88/57/439718857.db2.gz INKBAYOZDNLIHE-UKRRQHHQSA-N 1 1 344.481 0.244 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000611322760 439691573 /nfs/dbraw/zinc/69/15/73/439691573.db2.gz YYETZTKJLGIIMT-GFCCVEGCSA-N 1 1 325.409 0.909 20 30 ECEDMO CC[N@H+]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@@H]1C ZINC000611373167 439694719 /nfs/dbraw/zinc/69/47/19/439694719.db2.gz JRRQOVRGASXVBI-IRXDYDNUSA-N 1 1 335.496 0.705 20 30 ECEDMO N#Cc1cccc(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000574297053 439696120 /nfs/dbraw/zinc/69/61/20/439696120.db2.gz HFKAWTNQTLOMGE-INIZCTEOSA-N 1 1 341.415 0.664 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000595469915 439732160 /nfs/dbraw/zinc/73/21/60/439732160.db2.gz JSDUEYMJKKWYLQ-GJZGRUSLSA-N 1 1 338.452 0.573 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595469915 439732161 /nfs/dbraw/zinc/73/21/61/439732161.db2.gz JSDUEYMJKKWYLQ-GJZGRUSLSA-N 1 1 338.452 0.573 20 30 ECEDMO C=C[C@@H](O)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000614721095 439784945 /nfs/dbraw/zinc/78/49/45/439784945.db2.gz GXDLJICXMMXNJI-QZTJIDSGSA-N 1 1 329.444 0.952 20 30 ECEDMO CC1(C)CN(C[C@@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1CCO ZINC000614920405 439790203 /nfs/dbraw/zinc/79/02/03/439790203.db2.gz IASPCMPXKVNFEL-QGZVFWFLSA-N 1 1 347.459 0.881 20 30 ECEDMO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCN1CCO ZINC000614920405 439790204 /nfs/dbraw/zinc/79/02/04/439790204.db2.gz IASPCMPXKVNFEL-QGZVFWFLSA-N 1 1 347.459 0.881 20 30 ECEDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCN1CCO ZINC000614920405 439790205 /nfs/dbraw/zinc/79/02/05/439790205.db2.gz IASPCMPXKVNFEL-QGZVFWFLSA-N 1 1 347.459 0.881 20 30 ECEDMO N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC000615628129 439803520 /nfs/dbraw/zinc/80/35/20/439803520.db2.gz PVIKBICPQFPTFR-OAHLLOKOSA-N 1 1 328.307 0.670 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@](F)(C#N)C2)C1 ZINC000615643886 439804110 /nfs/dbraw/zinc/80/41/10/439804110.db2.gz GIUDVEDFDYDXOS-GDBMZVCRSA-N 1 1 326.416 0.397 20 30 ECEDMO C=C(C)CS(=O)(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641695495 439901160 /nfs/dbraw/zinc/90/11/60/439901160.db2.gz AAWRHWBYQNBRMI-HNNXBMFYSA-N 1 1 331.482 0.279 20 30 ECEDMO C=C(C)CS(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641695495 439901166 /nfs/dbraw/zinc/90/11/66/439901166.db2.gz AAWRHWBYQNBRMI-HNNXBMFYSA-N 1 1 331.482 0.279 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1=O ZINC000654309633 440295887 /nfs/dbraw/zinc/29/58/87/440295887.db2.gz CAMIPBJVMXRGGG-OLZOCXBDSA-N 1 1 348.403 0.096 20 30 ECEDMO C=CCn1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nn1 ZINC000648756739 440319482 /nfs/dbraw/zinc/31/94/82/440319482.db2.gz KRBBWMFLSMSPRH-UHFFFAOYSA-N 1 1 332.452 0.753 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000644824558 440698025 /nfs/dbraw/zinc/69/80/25/440698025.db2.gz XQQLTTCYGJBYSP-GOEBONIOSA-N 1 1 349.456 0.927 20 30 ECEDMO C=CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H](C)COC ZINC000661241896 440819973 /nfs/dbraw/zinc/81/99/73/440819973.db2.gz DIXZFNQREXQWRP-ZDUSSCGKSA-N 1 1 349.435 0.347 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000641369214 441106086 /nfs/dbraw/zinc/10/60/86/441106086.db2.gz BRGHQXIGGNWJIG-CQSZACIVSA-N 1 1 338.477 0.809 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC001041737776 782088980 /nfs/dbraw/zinc/08/89/80/782088980.db2.gz PYOVYYVAGIXBIJ-GOSISDBHSA-N 1 1 339.399 0.996 20 30 ECEDMO N#Cc1ncn(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000541057170 322088946 /nfs/dbraw/zinc/08/89/46/322088946.db2.gz ZUUUZRNSGGUESY-HNNXBMFYSA-N 1 1 340.387 0.033 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000564035687 322358929 /nfs/dbraw/zinc/35/89/29/322358929.db2.gz YSMXTVDVDHVUNI-LJQANCHMSA-N 1 1 346.475 0.615 20 30 ECEDMO N#Cc1ccc(F)c(CS(=O)(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000565903002 322486751 /nfs/dbraw/zinc/48/67/51/322486751.db2.gz CTZORUVFOKDBLX-UHFFFAOYSA-N 1 1 341.408 0.573 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000174927777 527109597 /nfs/dbraw/zinc/10/95/97/527109597.db2.gz DDGXGZPMEMIXNC-LBPRGKRZSA-N 1 1 333.363 0.844 20 30 ECEDMO C[C@H](Sc1nncn1C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000328972395 546011074 /nfs/dbraw/zinc/01/10/74/546011074.db2.gz VKYZIWNGNMKKCP-NSHDSACASA-N 1 1 340.453 0.416 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000329802721 546034552 /nfs/dbraw/zinc/03/45/52/546034552.db2.gz JKNDXKVHZXVLGF-QWHCGFSZSA-N 1 1 332.470 0.398 20 30 ECEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)nn1 ZINC000668146516 547596783 /nfs/dbraw/zinc/59/67/83/547596783.db2.gz JDPDVMMVZBZXOG-XJKSGUPXSA-N 1 1 332.408 0.807 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000668690406 547727555 /nfs/dbraw/zinc/72/75/55/547727555.db2.gz QMPIKWKHJRCJRF-HNNXBMFYSA-N 1 1 325.453 0.932 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@H]2CCN(C)C2)CC1 ZINC000668840333 547765077 /nfs/dbraw/zinc/76/50/77/547765077.db2.gz GGKOEPYYZAYKLE-INIZCTEOSA-N 1 1 336.480 0.696 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2O)nc1 ZINC001078030326 782174517 /nfs/dbraw/zinc/17/45/17/782174517.db2.gz SYYSXDONTJXUBQ-USXIJHARSA-N 1 1 329.400 0.407 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)nc1 ZINC001078031065 782175886 /nfs/dbraw/zinc/17/58/86/782175886.db2.gz ADDUWXWNYBTVEH-USXIJHARSA-N 1 1 343.427 0.653 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000749394745 579337811 /nfs/dbraw/zinc/33/78/11/579337811.db2.gz ZMVYCIJJJUENFZ-UHFFFAOYSA-N 1 1 344.415 0.520 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000749394745 579337812 /nfs/dbraw/zinc/33/78/12/579337812.db2.gz ZMVYCIJJJUENFZ-UHFFFAOYSA-N 1 1 344.415 0.520 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)NCCNC(=O)C2N=CC=CC2=O)C[N@H+]1C1CC1 ZINC000753932499 579409426 /nfs/dbraw/zinc/40/94/26/579409426.db2.gz RTWVRVGZAFTDFN-VBMPLNBNSA-N 1 1 347.419 0.437 20 30 ECEDMO CN(C)c1nccc([N-][NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000755738367 579438125 /nfs/dbraw/zinc/43/81/25/579438125.db2.gz HZGXRRJYFCSOQO-UHFFFAOYSA-N 1 1 341.423 0.530 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000758744046 579480979 /nfs/dbraw/zinc/48/09/79/579480979.db2.gz SBDAVNMJXRLDSP-UHFFFAOYSA-N 1 1 331.416 0.965 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000758744046 579480981 /nfs/dbraw/zinc/48/09/81/579480981.db2.gz SBDAVNMJXRLDSP-UHFFFAOYSA-N 1 1 331.416 0.965 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cnn(CC#N)c2)CC1=O ZINC000729627037 578297534 /nfs/dbraw/zinc/29/75/34/578297534.db2.gz GSSUCIYEIFZFKD-HIFRSBDPSA-N 1 1 344.419 0.678 20 30 ECEDMO CNC(=O)CNC(=S)N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000731930109 578317904 /nfs/dbraw/zinc/31/79/04/578317904.db2.gz QQCSKSFAVWJQKF-UHFFFAOYSA-N 1 1 335.433 0.067 20 30 ECEDMO CCC[N@H+]1CC[C@@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000732425997 578325346 /nfs/dbraw/zinc/32/53/46/578325346.db2.gz IMCBHLAYPKALMV-ZGTROFRASA-N 1 1 349.435 0.544 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000734467854 578360675 /nfs/dbraw/zinc/36/06/75/578360675.db2.gz MQKOXKCAFKNQHH-QGZVFWFLSA-N 1 1 328.416 0.199 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000795084515 578604707 /nfs/dbraw/zinc/60/47/07/578604707.db2.gz DIVCMIKELLIKCD-LSDHHAIUSA-N 1 1 335.429 0.894 20 30 ECEDMO C[C@]1(C(N)=O)CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000796581935 578626338 /nfs/dbraw/zinc/62/63/38/578626338.db2.gz UMRASRUJMQLUAE-KRWDZBQOSA-N 1 1 325.372 0.617 20 30 ECEDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000796581935 578626339 /nfs/dbraw/zinc/62/63/39/578626339.db2.gz UMRASRUJMQLUAE-KRWDZBQOSA-N 1 1 325.372 0.617 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780993406 578704230 /nfs/dbraw/zinc/70/42/30/578704230.db2.gz HLYFOBCGXJTDLK-QGZVFWFLSA-N 1 1 331.416 0.897 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000781014046 578704546 /nfs/dbraw/zinc/70/45/46/578704546.db2.gz OVDRRPFMJWYEBJ-GUYCJALGSA-N 1 1 345.399 0.687 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000781014046 578704547 /nfs/dbraw/zinc/70/45/47/578704547.db2.gz OVDRRPFMJWYEBJ-GUYCJALGSA-N 1 1 345.399 0.687 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O ZINC000781859689 578716038 /nfs/dbraw/zinc/71/60/38/578716038.db2.gz JCBHGNQSPOMEIA-CJNGLKHVSA-N 1 1 331.416 0.895 20 30 ECEDMO N#CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000782770458 578733292 /nfs/dbraw/zinc/73/32/92/578733292.db2.gz YMBQKJQHNVOUFS-UHFFFAOYSA-N 1 1 346.387 0.366 20 30 ECEDMO N#CCOc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000782770458 578733293 /nfs/dbraw/zinc/73/32/93/578733293.db2.gz YMBQKJQHNVOUFS-UHFFFAOYSA-N 1 1 346.387 0.366 20 30 ECEDMO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000785804341 578775851 /nfs/dbraw/zinc/77/58/51/578775851.db2.gz NCBHMGBQKYMLHU-CHWSQXEVSA-N 1 1 336.417 0.481 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)n1 ZINC000789122537 578848665 /nfs/dbraw/zinc/84/86/65/578848665.db2.gz KMNIFSHZIYHVBY-GOEBONIOSA-N 1 1 333.436 0.767 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000789122537 578848666 /nfs/dbraw/zinc/84/86/66/578848666.db2.gz KMNIFSHZIYHVBY-GOEBONIOSA-N 1 1 333.436 0.767 20 30 ECEDMO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]21 ZINC000793699921 578935804 /nfs/dbraw/zinc/93/58/04/578935804.db2.gz JSOMATJDZZJHJX-KNCOVGOOSA-N 1 1 339.351 0.541 20 30 ECEDMO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]21 ZINC000793699921 578935805 /nfs/dbraw/zinc/93/58/05/578935805.db2.gz JSOMATJDZZJHJX-KNCOVGOOSA-N 1 1 339.351 0.541 20 30 ECEDMO C#C[C@H]([NH2+][C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 ZINC000775789970 579271209 /nfs/dbraw/zinc/27/12/09/579271209.db2.gz NRYURULPQUIVJH-KBXIAJHMSA-N 1 1 342.461 0.181 20 30 ECEDMO C#C[C@@H]([NH2+]CC1(CN[C@@H](C#C)[C@H]2CCCO2)COC1)[C@H]1CCCO1 ZINC000775801785 579271662 /nfs/dbraw/zinc/27/16/62/579271662.db2.gz WJMJDOWBCNPMME-XMTFNYHQSA-N 1 1 332.444 0.544 20 30 ECEDMO C#C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CCCO1 ZINC000776225236 579278032 /nfs/dbraw/zinc/27/80/32/579278032.db2.gz AKHSDZMIVOXMMZ-OKZBNKHCSA-N 1 1 348.491 0.977 20 30 ECEDMO C#C[C@H](NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000776225236 579278033 /nfs/dbraw/zinc/27/80/33/579278033.db2.gz AKHSDZMIVOXMMZ-OKZBNKHCSA-N 1 1 348.491 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000762726705 579547345 /nfs/dbraw/zinc/54/73/45/579547345.db2.gz DYZRPYSWOPOXII-ZFWWWQNUSA-N 1 1 345.403 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000762726705 579547346 /nfs/dbraw/zinc/54/73/46/579547346.db2.gz DYZRPYSWOPOXII-ZFWWWQNUSA-N 1 1 345.403 0.326 20 30 ECEDMO C#CCC[NH+]1CCC(NC(=O)CN(C)c2ncnc3[nH]cnc32)CC1 ZINC000743492611 579798388 /nfs/dbraw/zinc/79/83/88/579798388.db2.gz XLBRJGVLYVFCLM-UHFFFAOYSA-N 1 1 341.419 0.393 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000619780620 583000656 /nfs/dbraw/zinc/00/06/56/583000656.db2.gz WNMSLNWANRWRLY-NSHDSACASA-N 1 1 340.453 0.009 20 30 ECEDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000867147305 588919852 /nfs/dbraw/zinc/91/98/52/588919852.db2.gz FCFMDGQFSNXZQI-ZDUSSCGKSA-N 1 1 327.381 0.696 20 30 ECEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000867147305 588919854 /nfs/dbraw/zinc/91/98/54/588919854.db2.gz FCFMDGQFSNXZQI-ZDUSSCGKSA-N 1 1 327.381 0.696 20 30 ECEDMO COC(=O)CNC(=O)C[NH2+]Cc1cc(C#N)ccc1Br ZINC000895811515 586206072 /nfs/dbraw/zinc/20/60/72/586206072.db2.gz RYNUDHUWPQDCRW-UHFFFAOYSA-N 1 1 340.177 0.700 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000896487715 586243272 /nfs/dbraw/zinc/24/32/72/586243272.db2.gz BOEJOOQQFQSOKH-ULQDDVLXSA-N 1 1 334.464 0.325 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(C(=O)NCCNC(=O)C3N=CC=CC3=O)C[C@]2(C)C1 ZINC000892943643 586302663 /nfs/dbraw/zinc/30/26/63/586302663.db2.gz WROMEKKVGOXKKH-SGOKQQOGSA-N 1 1 347.419 0.106 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3nc(C#N)cs3)C2)CC1 ZINC000893024247 586307031 /nfs/dbraw/zinc/30/70/31/586307031.db2.gz SXJNMPABHGGPLS-LBPRGKRZSA-N 1 1 348.476 0.982 20 30 ECEDMO C[NH+]1CCC(N2CC[C@H](NC(=O)NCc3nc(C#N)cs3)C2)CC1 ZINC000893024247 586307034 /nfs/dbraw/zinc/30/70/34/586307034.db2.gz SXJNMPABHGGPLS-LBPRGKRZSA-N 1 1 348.476 0.982 20 30 ECEDMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000898019505 586392665 /nfs/dbraw/zinc/39/26/65/586392665.db2.gz LIYUBBWJWDJPDH-AWEZNQCLSA-N 1 1 330.388 0.393 20 30 ECEDMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000898019505 586392667 /nfs/dbraw/zinc/39/26/67/586392667.db2.gz LIYUBBWJWDJPDH-AWEZNQCLSA-N 1 1 330.388 0.393 20 30 ECEDMO O=C(c1cccc(C#CCO)c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000899969038 586515676 /nfs/dbraw/zinc/51/56/76/586515676.db2.gz JLYDZJRLWZIZFJ-GOSISDBHSA-N 1 1 328.412 0.967 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000900318528 586536525 /nfs/dbraw/zinc/53/65/25/586536525.db2.gz YFBPGSNWDJJEFV-PBHICJAKSA-N 1 1 329.404 0.057 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000843254976 589056986 /nfs/dbraw/zinc/05/69/86/589056986.db2.gz RPRKNMXZXXCGOE-HNNXBMFYSA-N 1 1 335.448 0.163 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000843254976 589056987 /nfs/dbraw/zinc/05/69/87/589056987.db2.gz RPRKNMXZXXCGOE-HNNXBMFYSA-N 1 1 335.448 0.163 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCOC)C1 ZINC000900561208 586641636 /nfs/dbraw/zinc/64/16/36/586641636.db2.gz OLMRKCAXZIEWHG-AWEZNQCLSA-N 1 1 325.409 0.650 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCOC)C1 ZINC000900561208 586641637 /nfs/dbraw/zinc/64/16/37/586641637.db2.gz OLMRKCAXZIEWHG-AWEZNQCLSA-N 1 1 325.409 0.650 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000900717949 586658822 /nfs/dbraw/zinc/65/88/22/586658822.db2.gz HRZMUIXIKXDEQW-YQVWRLOYSA-N 1 1 342.443 0.678 20 30 ECEDMO N#Cc1sc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc1Cl ZINC000888423779 586781100 /nfs/dbraw/zinc/78/11/00/586781100.db2.gz AKUHYAMQZSTIDM-MRVPVSSYSA-N 1 1 327.797 0.951 20 30 ECEDMO N#Cc1sc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)nc1Cl ZINC000888423779 586781101 /nfs/dbraw/zinc/78/11/01/586781101.db2.gz AKUHYAMQZSTIDM-MRVPVSSYSA-N 1 1 327.797 0.951 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000867328465 589074043 /nfs/dbraw/zinc/07/40/43/589074043.db2.gz XXVVXIGPRNETMD-AWEZNQCLSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000867328465 589074045 /nfs/dbraw/zinc/07/40/45/589074045.db2.gz XXVVXIGPRNETMD-AWEZNQCLSA-N 1 1 341.408 0.822 20 30 ECEDMO C=CCN(C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(C)C ZINC000805371140 586906640 /nfs/dbraw/zinc/90/66/40/586906640.db2.gz VVFBJPFJGRBWRK-UHFFFAOYSA-N 1 1 338.452 0.078 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(C#N)cn2)CCCO1 ZINC000907155845 587021708 /nfs/dbraw/zinc/02/17/08/587021708.db2.gz NXSKEMOKTCXMME-ZDUSSCGKSA-N 1 1 338.433 0.732 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)c1ccc(C#N)cn1 ZINC000907195241 587025027 /nfs/dbraw/zinc/02/50/27/587025027.db2.gz WVBXKECDWCYYSA-UHFFFAOYSA-N 1 1 339.465 0.457 20 30 ECEDMO CN(CCCN(C)S(=O)(=O)c1ccc(C#N)cn1)CC[NH+](C)C ZINC000907195241 587025029 /nfs/dbraw/zinc/02/50/29/587025029.db2.gz WVBXKECDWCYYSA-UHFFFAOYSA-N 1 1 339.465 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000804387380 587084551 /nfs/dbraw/zinc/08/45/51/587084551.db2.gz YCOVROFBSSWYQS-HOTGVXAUSA-N 1 1 332.448 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000804387380 587084553 /nfs/dbraw/zinc/08/45/53/587084553.db2.gz YCOVROFBSSWYQS-HOTGVXAUSA-N 1 1 332.448 0.880 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1C#N ZINC000804430374 587085304 /nfs/dbraw/zinc/08/53/04/587085304.db2.gz NPMFRBWPMLRHIC-LBPRGKRZSA-N 1 1 344.415 0.782 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000806867903 587109687 /nfs/dbraw/zinc/10/96/87/587109687.db2.gz AKTAREFUEJGQFM-KRWDZBQOSA-N 1 1 328.416 0.199 20 30 ECEDMO C#CCCCNC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000806908685 587110850 /nfs/dbraw/zinc/11/08/50/587110850.db2.gz NMONFRRMQVLQII-UHFFFAOYSA-N 1 1 343.431 0.708 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000806911197 587111296 /nfs/dbraw/zinc/11/12/96/587111296.db2.gz JLNQUHYZFCVECO-UHFFFAOYSA-N 1 1 333.457 0.964 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)[C@H]1CCCO1 ZINC000809305665 587173530 /nfs/dbraw/zinc/17/35/30/587173530.db2.gz HQZUIUUKOUOBGP-DLBZAZTESA-N 1 1 349.475 0.862 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000809405054 587176990 /nfs/dbraw/zinc/17/69/90/587176990.db2.gz NGMYZSOPGXFEOA-ZBEGNZNMSA-N 1 1 344.390 0.912 20 30 ECEDMO CNS(=O)(=O)N1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000809568125 587180227 /nfs/dbraw/zinc/18/02/27/587180227.db2.gz UVPXVUDFESICBR-UHFFFAOYSA-N 1 1 338.433 0.409 20 30 ECEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000812038495 587230589 /nfs/dbraw/zinc/23/05/89/587230589.db2.gz PUIHQCVXCYLBJL-TZFAWSOVSA-N 1 1 337.424 0.541 20 30 ECEDMO COc1cc(C(C)=NNC(=S)NCCC[NH+]2CCOCC2)on1 ZINC000814728066 587278961 /nfs/dbraw/zinc/27/89/61/587278961.db2.gz KKAPWDVDRSXYSO-UHFFFAOYSA-N 1 1 341.437 0.594 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000815092968 587282171 /nfs/dbraw/zinc/28/21/71/587282171.db2.gz XVCUHNQMMWSVHV-CQSZACIVSA-N 1 1 326.400 0.659 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCCOCCC#N)CC1=O ZINC000815239873 587284497 /nfs/dbraw/zinc/28/44/97/587284497.db2.gz UNEKVNWWNZGJOB-HUUCEWRRSA-N 1 1 337.420 0.793 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000815705316 587296839 /nfs/dbraw/zinc/29/68/39/587296839.db2.gz GMYIXPJECKCDTK-CJNGLKHVSA-N 1 1 327.384 0.800 20 30 ECEDMO O=c1nc(C=NO)ccn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817378110 587340619 /nfs/dbraw/zinc/34/06/19/587340619.db2.gz FTYRJFZOTJKIJS-UHFFFAOYSA-N 1 1 328.372 0.932 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000817817330 587386970 /nfs/dbraw/zinc/38/69/70/587386970.db2.gz PGAIMNJOEJJJQS-KRWDZBQOSA-N 1 1 325.412 0.885 20 30 ECEDMO COc1cccc(S(C)(=O)=O)c1N=NC1CC[NH+](CCO)CC1 ZINC000819813106 587492263 /nfs/dbraw/zinc/49/22/63/587492263.db2.gz SHBGUVRKNDTMNJ-UHFFFAOYSA-N 1 1 341.433 0.955 20 30 ECEDMO N#CCOc1cccc(CC(=O)N2CC(C[NH+]3CCOCC3)C2)c1 ZINC000820248849 587520616 /nfs/dbraw/zinc/52/06/16/587520616.db2.gz CWNPVMCDPDDDCZ-UHFFFAOYSA-N 1 1 329.400 0.922 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CNC(=O)[O-])CC1 ZINC000823455513 587721551 /nfs/dbraw/zinc/72/15/51/587721551.db2.gz DGSPHQUKSRVJFA-HUUCEWRRSA-N 1 1 336.436 0.132 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCC[C@@H](C)[C@H]2CNC(=O)[O-])CC1 ZINC000823455513 587721553 /nfs/dbraw/zinc/72/15/53/587721553.db2.gz DGSPHQUKSRVJFA-HUUCEWRRSA-N 1 1 336.436 0.132 20 30 ECEDMO C=C[C@](C)(O)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000824285467 587865556 /nfs/dbraw/zinc/86/55/56/587865556.db2.gz JYRUEVBISXJSAG-SFHVURJKSA-N 1 1 333.432 0.870 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000827549238 588127160 /nfs/dbraw/zinc/12/71/60/588127160.db2.gz FJTBNTDZTAZFFM-MRXNPFEDSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)NCCO3)C1 ZINC000829583166 588331088 /nfs/dbraw/zinc/33/10/88/588331088.db2.gz XKXISVMEEXGFLG-AWEZNQCLSA-N 1 1 327.384 0.636 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)NCCO3)C1 ZINC000829583166 588331090 /nfs/dbraw/zinc/33/10/90/588331090.db2.gz XKXISVMEEXGFLG-AWEZNQCLSA-N 1 1 327.384 0.636 20 30 ECEDMO N#CC[C@@]1(O)CC[N@@H+](CCCON2C(=O)c3ccccc3C2=O)C1 ZINC000829998062 588353193 /nfs/dbraw/zinc/35/31/93/588353193.db2.gz HBUHJHICKIYXLP-QGZVFWFLSA-N 1 1 329.356 0.955 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CC[NH+](CCOCCOC)CC2)nc1 ZINC000845771092 589168649 /nfs/dbraw/zinc/16/86/49/589168649.db2.gz WHQQYWIDTXMJOB-UHFFFAOYSA-N 1 1 346.431 0.230 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C[C@H](O)C[N@H+](C)CCOC)c1 ZINC000846775570 589223812 /nfs/dbraw/zinc/22/38/12/589223812.db2.gz QGIDOZWVLGTWKA-QGZVFWFLSA-N 1 1 333.432 0.477 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847349061 589243445 /nfs/dbraw/zinc/24/34/45/589243445.db2.gz QDATXMARDNXAQU-KBPBESRZSA-N 1 1 329.466 0.903 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847349061 589243446 /nfs/dbraw/zinc/24/34/46/589243446.db2.gz QDATXMARDNXAQU-KBPBESRZSA-N 1 1 329.466 0.903 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C2=C(C)N(C)c3nnnn3[C@@H]2C)CC1 ZINC000847417094 589246228 /nfs/dbraw/zinc/24/62/28/589246228.db2.gz VQZLRUOKDZKSPK-CYBMUJFWSA-N 1 1 329.408 0.125 20 30 ECEDMO CCNC(NCCCCN1CCN(c2ncccn2)CC1)=[NH+]CC ZINC000849053263 589318897 /nfs/dbraw/zinc/31/88/97/589318897.db2.gz RPPMFWCRUZQQDK-UHFFFAOYSA-N 1 1 333.484 0.954 20 30 ECEDMO Cc1[nH]nc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1C#N ZINC000849611812 589343376 /nfs/dbraw/zinc/34/33/76/589343376.db2.gz BOLVGRVRJRFTEP-JSGCOSHPSA-N 1 1 327.392 0.997 20 30 ECEDMO Cc1[nH]nc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1C#N ZINC000849611813 589343475 /nfs/dbraw/zinc/34/34/75/589343475.db2.gz BOLVGRVRJRFTEP-OCCSQVGLSA-N 1 1 327.392 0.997 20 30 ECEDMO C#C[C@H](NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C1CCOCC1 ZINC000852183115 589448661 /nfs/dbraw/zinc/44/86/61/589448661.db2.gz FOEHQLGNYYHYKD-RDJZCZTQSA-N 1 1 336.480 0.598 20 30 ECEDMO C#CCOCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000852251333 589452927 /nfs/dbraw/zinc/45/29/27/589452927.db2.gz NGINQAHYVDPVIA-GOSISDBHSA-N 1 1 344.459 0.752 20 30 ECEDMO C#CCOCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000852251333 589452928 /nfs/dbraw/zinc/45/29/28/589452928.db2.gz NGINQAHYVDPVIA-GOSISDBHSA-N 1 1 344.459 0.752 20 30 ECEDMO Cc1cc(NC[C@H]2COCCO2)c(C#N)c(NC[C@H]2COCCO2)[nH+]1 ZINC000853209272 589537509 /nfs/dbraw/zinc/53/75/09/589537509.db2.gz LQBVIDKCRVMOCM-KBPBESRZSA-N 1 1 348.403 0.916 20 30 ECEDMO C#C[C@H](NC(=O)NC1CC[NH+](CCN(C)C)CC1)C1CCOCC1 ZINC000853301426 589540238 /nfs/dbraw/zinc/54/02/38/589540238.db2.gz CCSBOPWCSYJIRE-KRWDZBQOSA-N 1 1 336.480 0.740 20 30 ECEDMO CC(C)(C)NS(=O)(=O)C1(C=NNCCC[NH+]2CCOCC2)CC1 ZINC000853342777 589541326 /nfs/dbraw/zinc/54/13/26/589541326.db2.gz NNJGQMGKDLRQPK-UHFFFAOYSA-N 1 1 346.497 0.535 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N(CCN1CCOCC1)CC1CC1 ZINC000854094201 589570858 /nfs/dbraw/zinc/57/08/58/589570858.db2.gz HOCODKXNPROVDQ-UHFFFAOYSA-N 1 1 336.480 0.695 20 30 ECEDMO C#C[C@@H](CO)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000854771120 589605188 /nfs/dbraw/zinc/60/51/88/589605188.db2.gz VIUCMFQUDKOPCI-AWEZNQCLSA-N 1 1 339.399 0.288 20 30 ECEDMO Cn1nccc1[C@H](O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000856803179 589676546 /nfs/dbraw/zinc/67/65/46/589676546.db2.gz CJXGMKDIMPIPDN-QZTJIDSGSA-N 1 1 345.447 0.974 20 30 ECEDMO Cn1nccc1[C@@H](O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000856803183 589676669 /nfs/dbraw/zinc/67/66/69/589676669.db2.gz CJXGMKDIMPIPDN-ZWKOTPCHSA-N 1 1 345.447 0.974 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000858238632 589734397 /nfs/dbraw/zinc/73/43/97/589734397.db2.gz KVWUWSSSPASKCF-HOTGVXAUSA-N 1 1 336.480 0.883 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000858238632 589734398 /nfs/dbraw/zinc/73/43/98/589734398.db2.gz KVWUWSSSPASKCF-HOTGVXAUSA-N 1 1 336.480 0.883 20 30 ECEDMO CC(C)(C(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccc(C#N)cc1 ZINC000858244272 589735008 /nfs/dbraw/zinc/73/50/08/589735008.db2.gz VIBBVXYSLRWVRD-UHFFFAOYSA-N 1 1 328.416 0.902 20 30 ECEDMO C#CCNC(=O)CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000860151586 589748734 /nfs/dbraw/zinc/74/87/34/589748734.db2.gz MCGHQPYWFJXMKU-UHFFFAOYSA-N 1 1 331.372 0.468 20 30 ECEDMO C#CCNC(=O)CC[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000860151586 589748736 /nfs/dbraw/zinc/74/87/36/589748736.db2.gz MCGHQPYWFJXMKU-UHFFFAOYSA-N 1 1 331.372 0.468 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000858492938 589752486 /nfs/dbraw/zinc/75/24/86/589752486.db2.gz GMNVJRGTSTUAHM-UHFFFAOYSA-N 1 1 336.480 0.838 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000858492938 589752488 /nfs/dbraw/zinc/75/24/88/589752488.db2.gz GMNVJRGTSTUAHM-UHFFFAOYSA-N 1 1 336.480 0.838 20 30 ECEDMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2cc(F)cc(C#N)c2)n1C ZINC000866780557 589775756 /nfs/dbraw/zinc/77/57/56/589775756.db2.gz FZTRWMVIATVYJC-UHFFFAOYSA-N 1 1 337.380 0.975 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cnnn1-c1ccccc1 ZINC000859172911 589804890 /nfs/dbraw/zinc/80/48/90/589804890.db2.gz SFFRVJARBPTCBP-UHFFFAOYSA-N 1 1 333.417 0.501 20 30 ECEDMO CC(C)N1CC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1=O ZINC000867927832 589863783 /nfs/dbraw/zinc/86/37/83/589863783.db2.gz PMMZJGWEGBSEST-HOTGVXAUSA-N 1 1 326.400 0.871 20 30 ECEDMO COCC1(CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CC[NH2+]CC1 ZINC000867971050 589865965 /nfs/dbraw/zinc/86/59/65/589865965.db2.gz MJOOMTZZHYIRSE-KRWDZBQOSA-N 1 1 342.443 0.877 20 30 ECEDMO CCC[C@@H]1C(=O)NCCN1C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867975604 589866170 /nfs/dbraw/zinc/86/61/70/589866170.db2.gz OAFZQHUIRLDPBM-CVEARBPZSA-N 1 1 326.400 0.872 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCc2c(CC(N)=O)cccc2C1 ZINC000868652952 589919601 /nfs/dbraw/zinc/91/96/01/589919601.db2.gz JMPZKLJEBGNZFP-UHFFFAOYSA-N 1 1 342.443 0.737 20 30 ECEDMO CON=Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000862648427 589954194 /nfs/dbraw/zinc/95/41/94/589954194.db2.gz QGPQVQNNLILVLV-HNNXBMFYSA-N 1 1 332.404 0.737 20 30 ECEDMO C=C(Cl)C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)OCC ZINC000870029647 589990460 /nfs/dbraw/zinc/99/04/60/589990460.db2.gz VCRARUJMBYRRJX-CHWSQXEVSA-N 1 1 329.828 0.567 20 30 ECEDMO C=C(Cl)C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)OCC ZINC000870029651 589990479 /nfs/dbraw/zinc/99/04/79/589990479.db2.gz VCRARUJMBYRRJX-QWHCGFSZSA-N 1 1 329.828 0.567 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000863797790 590038983 /nfs/dbraw/zinc/03/89/83/590038983.db2.gz SVDGKCMTTAIOLC-SFHVURJKSA-N 1 1 329.444 0.959 20 30 ECEDMO Cc1nn(C[C@H](O)C[N@H+](C)CCC#N)c(C)c1[C@H]1COCCN1C ZINC000871986700 590095438 /nfs/dbraw/zinc/09/54/38/590095438.db2.gz PAWUAYPOUBYYFH-HZPDHXFCSA-N 1 1 335.452 0.709 20 30 ECEDMO Cc1nn(C[C@H](O)C[N@@H+](C)CCC#N)c(C)c1[C@H]1COCCN1C ZINC000871986700 590095440 /nfs/dbraw/zinc/09/54/40/590095440.db2.gz PAWUAYPOUBYYFH-HZPDHXFCSA-N 1 1 335.452 0.709 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000872617221 590133775 /nfs/dbraw/zinc/13/37/75/590133775.db2.gz NZRUGZWMICQSAS-LSDHHAIUSA-N 1 1 335.429 0.582 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000873896159 590209453 /nfs/dbraw/zinc/20/94/53/590209453.db2.gz PCTQHDKZTRXSIL-UHFFFAOYSA-N 1 1 331.420 0.693 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000875139390 590274908 /nfs/dbraw/zinc/27/49/08/590274908.db2.gz ZHDMLSXWOYDDEY-HZPDHXFCSA-N 1 1 337.464 0.768 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000875166507 590277266 /nfs/dbraw/zinc/27/72/66/590277266.db2.gz VOBNSCWXDNNBJI-HOCLYGCPSA-N 1 1 344.390 0.866 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000875601357 590313526 /nfs/dbraw/zinc/31/35/26/590313526.db2.gz ZWUBTTFLYIFFSA-OAHLLOKOSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@@](C)(C(=O)OCC)C1 ZINC000875623264 590316510 /nfs/dbraw/zinc/31/65/10/590316510.db2.gz QAQBCMWXKXCFCK-MRXNPFEDSA-N 1 1 325.409 0.305 20 30 ECEDMO CN1C(=O)[C@H]2C[N@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@H]2C1=O ZINC000879531421 590318591 /nfs/dbraw/zinc/31/85/91/590318591.db2.gz DKWZCIOYGIYAQL-GASCZTMLSA-N 1 1 340.383 0.480 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@H]2C1=O ZINC000879531421 590318593 /nfs/dbraw/zinc/31/85/93/590318593.db2.gz DKWZCIOYGIYAQL-GASCZTMLSA-N 1 1 340.383 0.480 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C(C)(C)O)C2)CC1 ZINC000880148580 590372217 /nfs/dbraw/zinc/37/22/17/590372217.db2.gz YNCKANIHFNOKQV-HOTGVXAUSA-N 1 1 336.480 0.772 20 30 ECEDMO C[C@@](C#N)(NC(=O)Cn1cc(CCC[NH+]2CCOCC2)nn1)C1CC1 ZINC000881020387 590431350 /nfs/dbraw/zinc/43/13/50/590431350.db2.gz XLGTVTLRLJETHE-KRWDZBQOSA-N 1 1 346.435 0.351 20 30 ECEDMO N#CCCNC(=O)C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000878872956 590548965 /nfs/dbraw/zinc/54/89/65/590548965.db2.gz LFAIGVBLJJNMIE-CQSZACIVSA-N 1 1 326.466 0.156 20 30 ECEDMO N#CCCNC(=O)C[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000878872956 590548966 /nfs/dbraw/zinc/54/89/66/590548966.db2.gz LFAIGVBLJJNMIE-CQSZACIVSA-N 1 1 326.466 0.156 20 30 ECEDMO CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000879334837 590580110 /nfs/dbraw/zinc/58/01/10/590580110.db2.gz NRXLSCOEBPKUCJ-MRXNPFEDSA-N 1 1 343.431 0.958 20 30 ECEDMO CNC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000879334837 590580112 /nfs/dbraw/zinc/58/01/12/590580112.db2.gz NRXLSCOEBPKUCJ-MRXNPFEDSA-N 1 1 343.431 0.958 20 30 ECEDMO COC(=O)[C@H](c1ccc(C#N)cc1)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000879354773 590581662 /nfs/dbraw/zinc/58/16/62/590581662.db2.gz NXYXRFGHSKQNJE-KRWDZBQOSA-N 1 1 344.415 0.478 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2CC)c1 ZINC000882767002 590582749 /nfs/dbraw/zinc/58/27/49/590582749.db2.gz XOQMFACCUSDSHR-AWEZNQCLSA-N 1 1 337.445 0.975 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2CC)c1 ZINC000882767002 590582751 /nfs/dbraw/zinc/58/27/51/590582751.db2.gz XOQMFACCUSDSHR-AWEZNQCLSA-N 1 1 337.445 0.975 20 30 ECEDMO C#CCC1(O)CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000883104660 590605708 /nfs/dbraw/zinc/60/57/08/590605708.db2.gz IGPNEMQVIVXNFL-UHFFFAOYSA-N 1 1 336.480 0.572 20 30 ECEDMO C=C(C)C[C@H](CO)NC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000883127816 590606337 /nfs/dbraw/zinc/60/63/37/590606337.db2.gz IMZXAZYHJWBVDZ-OAHLLOKOSA-N 1 1 340.468 0.603 20 30 ECEDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000883896300 590678826 /nfs/dbraw/zinc/67/88/26/590678826.db2.gz MWVHLPUULRYWIL-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)NC(C)(C)C)C1 ZINC000884127269 590748260 /nfs/dbraw/zinc/74/82/60/590748260.db2.gz ZPLDZPLIZHMMTM-CYBMUJFWSA-N 1 1 344.481 0.101 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)NC(C)(C)C)C1 ZINC000884127269 590748262 /nfs/dbraw/zinc/74/82/62/590748262.db2.gz ZPLDZPLIZHMMTM-CYBMUJFWSA-N 1 1 344.481 0.101 20 30 ECEDMO CC(C)CN1CCO[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884180231 590765162 /nfs/dbraw/zinc/76/51/62/590765162.db2.gz QQGCOUJKVXVMDO-BNQMIIOLSA-N 1 1 334.464 0.599 20 30 ECEDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886205502 590812992 /nfs/dbraw/zinc/81/29/92/590812992.db2.gz OYDUYNAKKLEGAH-RMRHIDDWSA-N 1 1 325.434 0.256 20 30 ECEDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000889951757 591112560 /nfs/dbraw/zinc/11/25/60/591112560.db2.gz CLWIQGVSEXMTAU-AWEZNQCLSA-N 1 1 329.404 0.885 20 30 ECEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000889951757 591112561 /nfs/dbraw/zinc/11/25/61/591112561.db2.gz CLWIQGVSEXMTAU-AWEZNQCLSA-N 1 1 329.404 0.885 20 30 ECEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000890134313 591134467 /nfs/dbraw/zinc/13/44/67/591134467.db2.gz KBZPLEQTTNOHHY-ZDUSSCGKSA-N 1 1 329.404 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000890360835 591150358 /nfs/dbraw/zinc/15/03/58/591150358.db2.gz CXKBYYDTSCFYHL-HZPDHXFCSA-N 1 1 332.448 0.738 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000890360835 591150361 /nfs/dbraw/zinc/15/03/61/591150361.db2.gz CXKBYYDTSCFYHL-HZPDHXFCSA-N 1 1 332.448 0.738 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2Cc3ccccc3NC2=O)C1 ZINC000890361560 591151088 /nfs/dbraw/zinc/15/10/88/591151088.db2.gz UNCXXRGCSAVOKJ-HOCLYGCPSA-N 1 1 326.400 0.947 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2Cc3ccccc3NC2=O)C1 ZINC000890361560 591151089 /nfs/dbraw/zinc/15/10/89/591151089.db2.gz UNCXXRGCSAVOKJ-HOCLYGCPSA-N 1 1 326.400 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)C1 ZINC000890365855 591151690 /nfs/dbraw/zinc/15/16/90/591151690.db2.gz ZUVDLFMGANIEFL-ULQDDVLXSA-N 1 1 349.475 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)C1 ZINC000890365855 591151695 /nfs/dbraw/zinc/15/16/95/591151695.db2.gz ZUVDLFMGANIEFL-ULQDDVLXSA-N 1 1 349.475 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3nccn3C)CC2)C1 ZINC000890373039 591155012 /nfs/dbraw/zinc/15/50/12/591155012.db2.gz PGLUWDLHDBUYCM-MRXNPFEDSA-N 1 1 344.463 0.345 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3nccn3C)CC2)C1 ZINC000890373039 591155015 /nfs/dbraw/zinc/15/50/15/591155015.db2.gz PGLUWDLHDBUYCM-MRXNPFEDSA-N 1 1 344.463 0.345 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)CC[C@@H]2C1 ZINC000946589135 611356469 /nfs/dbraw/zinc/35/64/69/611356469.db2.gz ICTUIGSQZASFJY-IYBDPMFKSA-N 1 1 338.473 0.615 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1 ZINC000946627680 611373464 /nfs/dbraw/zinc/37/34/64/611373464.db2.gz AAYJLKSKSTZYFJ-FJIDUMEYSA-N 1 1 333.476 0.635 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC000947998894 611375663 /nfs/dbraw/zinc/37/56/63/611375663.db2.gz QNZSVXCLZQVFNO-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2OC)C1 ZINC000946635377 611379240 /nfs/dbraw/zinc/37/92/40/611379240.db2.gz NRLABUSBYLXGOC-HUUCEWRRSA-N 1 1 346.431 0.890 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)CC[C@@H]2C1 ZINC000946649347 611386216 /nfs/dbraw/zinc/38/62/16/611386216.db2.gz WBWRDLSGTDNTAS-IYBDPMFKSA-N 1 1 334.464 0.117 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)CC[C@@H]2C1 ZINC000946653980 611391284 /nfs/dbraw/zinc/39/12/84/611391284.db2.gz PZILKSKRPABMID-IYBDPMFKSA-N 1 1 347.463 0.718 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](OC)c3cnn(C)c3)CC[C@@H]2C1 ZINC000946697676 611421743 /nfs/dbraw/zinc/42/17/43/611421743.db2.gz WXUMQIUSMHDJAP-HLLBOEOZSA-N 1 1 330.432 0.911 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)C(N)=O)CC[C@@H]3C2)c1 ZINC000946751721 611452573 /nfs/dbraw/zinc/45/25/73/611452573.db2.gz AECDWJKASSUSGT-OKILXGFUSA-N 1 1 344.390 0.853 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC[C@@H]2C1 ZINC000946776213 611470019 /nfs/dbraw/zinc/47/00/19/611470019.db2.gz HRCXLYKIFDBWKV-XUWVNRHRSA-N 1 1 335.448 0.766 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[N@H+]3C)CC2)c1C#N ZINC000925419881 611480796 /nfs/dbraw/zinc/48/07/96/611480796.db2.gz GUKXDRFKPTUPCA-ZDUSSCGKSA-N 1 1 331.424 0.136 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946803674 611492399 /nfs/dbraw/zinc/49/23/99/611492399.db2.gz QVZJFLLEURKHBY-OWCLPIDISA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2(CF)CC2)CC1 ZINC000948300182 611508967 /nfs/dbraw/zinc/50/89/67/611508967.db2.gz PDYGMYUATQJCGF-HNNXBMFYSA-N 1 1 335.423 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2(CF)CC2)CC1 ZINC000948300182 611508970 /nfs/dbraw/zinc/50/89/70/611508970.db2.gz PDYGMYUATQJCGF-HNNXBMFYSA-N 1 1 335.423 0.941 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCC[C@H](N(C)C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000948307028 611512576 /nfs/dbraw/zinc/51/25/76/611512576.db2.gz UPNMXYORKRXTFO-AWEZNQCLSA-N 1 1 331.420 0.901 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000948315818 611517240 /nfs/dbraw/zinc/51/72/40/611517240.db2.gz GYTWYIKWNHKAQD-SWLSCSKDSA-N 1 1 331.420 0.947 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC000947450063 611542394 /nfs/dbraw/zinc/54/23/94/611542394.db2.gz NJGXFBOHKRXADQ-DZGCQCFKSA-N 1 1 328.416 0.715 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000948381263 611556883 /nfs/dbraw/zinc/55/68/83/611556883.db2.gz JOERWZMALBDAIJ-AWEZNQCLSA-N 1 1 348.451 0.656 20 30 ECEDMO N#CC[C@@H](O)CN1CC[N@H+](C[C@H](O)CC#N)[C@H](Cc2ccccc2)C1 ZINC000931735155 611566997 /nfs/dbraw/zinc/56/69/97/611566997.db2.gz YPBWBTXNGGTHBX-GUDVDZBRSA-N 1 1 342.443 0.764 20 30 ECEDMO N#CC[C@@H](O)CN1CC[N@@H+](C[C@H](O)CC#N)[C@H](Cc2ccccc2)C1 ZINC000931735155 611567001 /nfs/dbraw/zinc/56/70/01/611567001.db2.gz YPBWBTXNGGTHBX-GUDVDZBRSA-N 1 1 342.443 0.764 20 30 ECEDMO N#CC[C@@H](O)CN1CC[N@H+](C[C@H](O)CC#N)C[C@H]1Cc1ccccc1 ZINC000931735155 611567002 /nfs/dbraw/zinc/56/70/02/611567002.db2.gz YPBWBTXNGGTHBX-GUDVDZBRSA-N 1 1 342.443 0.764 20 30 ECEDMO N#CC[C@@H](O)CN1CC[N@@H+](C[C@H](O)CC#N)C[C@H]1Cc1ccccc1 ZINC000931735155 611567005 /nfs/dbraw/zinc/56/70/05/611567005.db2.gz YPBWBTXNGGTHBX-GUDVDZBRSA-N 1 1 342.443 0.764 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC000948416546 611583090 /nfs/dbraw/zinc/58/30/90/611583090.db2.gz IRNQOAPEILRWFN-HUUCEWRRSA-N 1 1 333.432 0.860 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000948435604 611594329 /nfs/dbraw/zinc/59/43/29/611594329.db2.gz NDVDJYBUJQDAPY-CABCVRRESA-N 1 1 326.462 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000948435604 611594330 /nfs/dbraw/zinc/59/43/30/611594330.db2.gz NDVDJYBUJQDAPY-CABCVRRESA-N 1 1 326.462 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(Cc2cnon2)CC1 ZINC000948449927 611601472 /nfs/dbraw/zinc/60/14/72/611601472.db2.gz YJTQOXDQYFKCDM-IRXDYDNUSA-N 1 1 345.447 0.980 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(Cc2cnon2)CC1 ZINC000948449927 611601475 /nfs/dbraw/zinc/60/14/75/611601475.db2.gz YJTQOXDQYFKCDM-IRXDYDNUSA-N 1 1 345.447 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000947632009 611626589 /nfs/dbraw/zinc/62/65/89/611626589.db2.gz VPBQKTIFRJXINN-OAHLLOKOSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 ZINC000949326223 608636170 /nfs/dbraw/zinc/63/61/70/608636170.db2.gz HYTRVMSRAAJQBC-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C)c1 ZINC000947675621 611646075 /nfs/dbraw/zinc/64/60/75/611646075.db2.gz JUBCFQODSTWRSH-WFASDCNBSA-N 1 1 342.399 0.061 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C)c1 ZINC000947675621 611646077 /nfs/dbraw/zinc/64/60/77/611646077.db2.gz JUBCFQODSTWRSH-WFASDCNBSA-N 1 1 342.399 0.061 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 ZINC000949447652 608682401 /nfs/dbraw/zinc/68/24/01/608682401.db2.gz XAMNNNCVGVLCIV-OAHLLOKOSA-N 1 1 333.432 0.324 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 ZINC000949447652 608682406 /nfs/dbraw/zinc/68/24/06/608682406.db2.gz XAMNNNCVGVLCIV-OAHLLOKOSA-N 1 1 333.432 0.324 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C ZINC000947442858 608720787 /nfs/dbraw/zinc/72/07/87/608720787.db2.gz ZXCZDSNQDRGDEM-HIFRSBDPSA-N 1 1 338.473 0.804 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H](C)C2)nn1 ZINC000947791630 608739177 /nfs/dbraw/zinc/73/91/77/608739177.db2.gz FMDPWHGWVLQSFQ-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccnn2C)CC1 ZINC000947229581 608792471 /nfs/dbraw/zinc/79/24/71/608792471.db2.gz DZJSJRRHXXXKJJ-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccnn2C)CC1 ZINC000947229581 608792472 /nfs/dbraw/zinc/79/24/72/608792472.db2.gz DZJSJRRHXXXKJJ-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cc(F)c[nH]2)CC1 ZINC000947229758 608792804 /nfs/dbraw/zinc/79/28/04/608792804.db2.gz HGSCHAQODZPDOY-INIZCTEOSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cc(F)c[nH]2)CC1 ZINC000947229758 608792807 /nfs/dbraw/zinc/79/28/07/608792807.db2.gz HGSCHAQODZPDOY-INIZCTEOSA-N 1 1 346.406 0.972 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934256032 608803869 /nfs/dbraw/zinc/80/38/69/608803869.db2.gz ZEUBBSGYKVZBOV-KYHPRHEASA-N 1 1 336.480 0.960 20 30 ECEDMO N#CC1(NC(=O)CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCCCC1 ZINC000934252962 608804312 /nfs/dbraw/zinc/80/43/12/608804312.db2.gz RQJPSPZBCDXART-CVEARBPZSA-N 1 1 334.464 0.860 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1C ZINC000947498746 608822572 /nfs/dbraw/zinc/82/25/72/608822572.db2.gz YNBWUOHMMIIVRR-RYUDHWBXSA-N 1 1 339.417 0.533 20 30 ECEDMO O=C(NCC#CCO)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000923777634 608928467 /nfs/dbraw/zinc/92/84/67/608928467.db2.gz LJYUCPCLLXDIHN-IRXDYDNUSA-N 1 1 331.416 0.164 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000947625013 608930864 /nfs/dbraw/zinc/93/08/64/608930864.db2.gz PNKNZZFESFIESX-QWRGUYRKSA-N 1 1 345.432 0.926 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000947625013 608930866 /nfs/dbraw/zinc/93/08/66/608930866.db2.gz PNKNZZFESFIESX-QWRGUYRKSA-N 1 1 345.432 0.926 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CCCN(CC#N)CC1 ZINC000948631166 611672746 /nfs/dbraw/zinc/67/27/46/611672746.db2.gz LRZVRMKHHSBYDS-GARNVTTQSA-N 1 1 332.448 0.686 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000948647865 611675358 /nfs/dbraw/zinc/67/53/58/611675358.db2.gz MGMCZKQXOHHPFW-CQSZACIVSA-N 1 1 339.403 0.617 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C[C@H]1C ZINC000947731510 609011197 /nfs/dbraw/zinc/01/11/97/609011197.db2.gz MTQQKFWGINJKGM-ZIAGYGMSSA-N 1 1 330.432 0.957 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000937181129 609020451 /nfs/dbraw/zinc/02/04/51/609020451.db2.gz HBFMVKVVVRLICJ-VHDGCEQUSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C[C@@H]1C ZINC000947761090 611679976 /nfs/dbraw/zinc/67/99/76/611679976.db2.gz FMXBVYOSKSCXOV-STQMWFEESA-N 1 1 330.392 0.046 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C[C@@H]1C ZINC000947761089 611680050 /nfs/dbraw/zinc/68/00/50/611680050.db2.gz FMXBVYOSKSCXOV-QWHCGFSZSA-N 1 1 330.392 0.046 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccccn1 ZINC000948666876 611681747 /nfs/dbraw/zinc/68/17/47/611681747.db2.gz BDJTYQAJDWOICX-ZBFHGGJFSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000936787095 609086456 /nfs/dbraw/zinc/08/64/56/609086456.db2.gz WEQBAMFMWPOTQY-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000936787095 609086459 /nfs/dbraw/zinc/08/64/59/609086459.db2.gz WEQBAMFMWPOTQY-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000936787095 609086462 /nfs/dbraw/zinc/08/64/62/609086462.db2.gz WEQBAMFMWPOTQY-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000936787095 609086465 /nfs/dbraw/zinc/08/64/65/609086465.db2.gz WEQBAMFMWPOTQY-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccccn1 ZINC000948666876 611681750 /nfs/dbraw/zinc/68/17/50/611681750.db2.gz BDJTYQAJDWOICX-ZBFHGGJFSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000937302860 609120977 /nfs/dbraw/zinc/12/09/77/609120977.db2.gz UAUBQZPUANCKNR-HRCADAONSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000937302860 609120979 /nfs/dbraw/zinc/12/09/79/609120979.db2.gz UAUBQZPUANCKNR-HRCADAONSA-N 1 1 335.448 0.160 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H](C)C2)nn1 ZINC000947792038 611692300 /nfs/dbraw/zinc/69/23/00/611692300.db2.gz HZOAGVSFJDSKTR-JSGCOSHPSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H](C)C2)nn1 ZINC000947792038 611692302 /nfs/dbraw/zinc/69/23/02/611692302.db2.gz HZOAGVSFJDSKTR-JSGCOSHPSA-N 1 1 346.435 0.325 20 30 ECEDMO C[N@H+](CCN1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)Cc1ccccc1 ZINC000932961124 611694598 /nfs/dbraw/zinc/69/45/98/611694598.db2.gz XQLBQJRPQVBKRD-SJORKVTESA-N 1 1 333.457 0.989 20 30 ECEDMO C[N@@H+](CCN1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)Cc1ccccc1 ZINC000932961124 611694601 /nfs/dbraw/zinc/69/46/01/611694601.db2.gz XQLBQJRPQVBKRD-SJORKVTESA-N 1 1 333.457 0.989 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000938170825 609482555 /nfs/dbraw/zinc/48/25/55/609482555.db2.gz OUFPDAOARXFUHG-YVSFHVDLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000938170825 609482557 /nfs/dbraw/zinc/48/25/57/609482557.db2.gz OUFPDAOARXFUHG-YVSFHVDLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2onc(C)c2C)C1 ZINC000938170876 609482757 /nfs/dbraw/zinc/48/27/57/609482757.db2.gz QSDYZSPUJYWCTF-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2onc(C)c2C)C1 ZINC000938170876 609482759 /nfs/dbraw/zinc/48/27/59/609482759.db2.gz QSDYZSPUJYWCTF-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938226663 609551970 /nfs/dbraw/zinc/55/19/70/609551970.db2.gz VHAOTDCDDFXAEK-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000907851652 609626134 /nfs/dbraw/zinc/62/61/34/609626134.db2.gz BPBIDVHDVOEYCQ-SFHVURJKSA-N 1 1 343.431 0.449 20 30 ECEDMO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1C#N ZINC000919990983 609667491 /nfs/dbraw/zinc/66/74/91/609667491.db2.gz STYROKXGRGHHDJ-XJKSGUPXSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1C#N ZINC000919990983 609667493 /nfs/dbraw/zinc/66/74/93/609667493.db2.gz STYROKXGRGHHDJ-XJKSGUPXSA-N 1 1 336.461 0.779 20 30 ECEDMO C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000920017279 609670780 /nfs/dbraw/zinc/67/07/80/609670780.db2.gz ATUCGUBUTMOBGS-CJNGLKHVSA-N 1 1 336.461 0.612 20 30 ECEDMO C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920017279 609670782 /nfs/dbraw/zinc/67/07/82/609670782.db2.gz ATUCGUBUTMOBGS-CJNGLKHVSA-N 1 1 336.461 0.612 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000920116526 609673943 /nfs/dbraw/zinc/67/39/43/609673943.db2.gz CWUFLWAMDWYGKY-JQHSSLGASA-N 1 1 345.443 0.959 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000920116526 609673944 /nfs/dbraw/zinc/67/39/44/609673944.db2.gz CWUFLWAMDWYGKY-JQHSSLGASA-N 1 1 345.443 0.959 20 30 ECEDMO N#CC1(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)CCCCC1 ZINC000920210453 609675307 /nfs/dbraw/zinc/67/53/07/609675307.db2.gz YYCLAHWITPFYFH-UHFFFAOYSA-N 1 1 336.436 0.150 20 30 ECEDMO C#CCCCS(=O)(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000920273302 609677664 /nfs/dbraw/zinc/67/76/64/609677664.db2.gz GHLFUGUOHLRALY-KLHDSHLOSA-N 1 1 328.478 0.799 20 30 ECEDMO CN(C(=O)C(N)=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000948733448 611706378 /nfs/dbraw/zinc/70/63/78/611706378.db2.gz KLHOEULGYAWQPE-INIZCTEOSA-N 1 1 331.391 0.975 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000928654710 611707391 /nfs/dbraw/zinc/70/73/91/611707391.db2.gz ANTHTGVSUWUONN-FQEVSTJZSA-N 1 1 341.455 0.837 20 30 ECEDMO C#CCN1CCC(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000928654710 611707393 /nfs/dbraw/zinc/70/73/93/611707393.db2.gz ANTHTGVSUWUONN-FQEVSTJZSA-N 1 1 341.455 0.837 20 30 ECEDMO C#CCN1CCC(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000928654710 611707396 /nfs/dbraw/zinc/70/73/96/611707396.db2.gz ANTHTGVSUWUONN-FQEVSTJZSA-N 1 1 341.455 0.837 20 30 ECEDMO C[C@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H](C)N1CC#N ZINC000921364664 609707526 /nfs/dbraw/zinc/70/75/26/609707526.db2.gz ORJCGVKLOIHRPN-STQMWFEESA-N 1 1 333.440 0.614 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2csc(C(=O)OC)c2)CC1 ZINC000921438558 609716664 /nfs/dbraw/zinc/71/66/64/609716664.db2.gz DVGGURDRJULYQC-UHFFFAOYSA-N 1 1 342.442 0.911 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nc1 ZINC000938373277 609759526 /nfs/dbraw/zinc/75/95/26/609759526.db2.gz MPJVOJNAZBNWSA-HOCLYGCPSA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C[C@@H]1C ZINC000948035623 609778680 /nfs/dbraw/zinc/77/86/80/609778680.db2.gz HJOZABUFOHZSPB-KBPBESRZSA-N 1 1 326.404 0.659 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cs1 ZINC000914017126 609843902 /nfs/dbraw/zinc/84/39/02/609843902.db2.gz PWGSBQKMBIBYHQ-STQMWFEESA-N 1 1 341.458 0.902 20 30 ECEDMO CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)CC1 ZINC000911714574 609907435 /nfs/dbraw/zinc/90/74/35/609907435.db2.gz SCWFKIIOPDPBLS-IAGOWNOFSA-N 1 1 335.496 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)NCC)c2)C1 ZINC000923597231 609920168 /nfs/dbraw/zinc/92/01/68/609920168.db2.gz LVMXNKSGBDPEFP-OAHLLOKOSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)NCC)c2)C1 ZINC000923597231 609920169 /nfs/dbraw/zinc/92/01/69/609920169.db2.gz LVMXNKSGBDPEFP-OAHLLOKOSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2nonc2C)C1 ZINC000938753785 609972539 /nfs/dbraw/zinc/97/25/39/609972539.db2.gz ARFBYSXIRDJUBR-KBPBESRZSA-N 1 1 345.403 0.149 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2nonc2C)C1 ZINC000938753785 609972542 /nfs/dbraw/zinc/97/25/42/609972542.db2.gz ARFBYSXIRDJUBR-KBPBESRZSA-N 1 1 345.403 0.149 20 30 ECEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912747862 610001004 /nfs/dbraw/zinc/00/10/04/610001004.db2.gz VVPCKCHMJZQMFH-OAHLLOKOSA-N 1 1 347.415 0.861 20 30 ECEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912747862 610001006 /nfs/dbraw/zinc/00/10/06/610001006.db2.gz VVPCKCHMJZQMFH-OAHLLOKOSA-N 1 1 347.415 0.861 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cs1 ZINC000919269777 610038856 /nfs/dbraw/zinc/03/88/56/610038856.db2.gz QCSYIMHKJGVRET-QWHCGFSZSA-N 1 1 341.458 0.590 20 30 ECEDMO C=CCOc1ccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)cc1OC ZINC000913190552 610049757 /nfs/dbraw/zinc/04/97/57/610049757.db2.gz FAOAKIIOCQWEBB-KRWDZBQOSA-N 1 1 336.388 0.341 20 30 ECEDMO C[N@@H+]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H]1C(C)(C)C ZINC000919597566 610050768 /nfs/dbraw/zinc/05/07/68/610050768.db2.gz KEPYCEDCCCWFJJ-OLZOCXBDSA-N 1 1 330.454 0.118 20 30 ECEDMO C[N@H+]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H]1C(C)(C)C ZINC000919597566 610050771 /nfs/dbraw/zinc/05/07/71/610050771.db2.gz KEPYCEDCCCWFJJ-OLZOCXBDSA-N 1 1 330.454 0.118 20 30 ECEDMO C[N@@H+]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H]1C(C)(C)C ZINC000919597565 610050993 /nfs/dbraw/zinc/05/09/93/610050993.db2.gz KEPYCEDCCCWFJJ-CHWSQXEVSA-N 1 1 330.454 0.118 20 30 ECEDMO C[N@H+]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H]1C(C)(C)C ZINC000919597565 610050996 /nfs/dbraw/zinc/05/09/96/610050996.db2.gz KEPYCEDCCCWFJJ-CHWSQXEVSA-N 1 1 330.454 0.118 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000939209669 610115766 /nfs/dbraw/zinc/11/57/66/610115766.db2.gz XKMXDBWRXPXQRV-CVEARBPZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000939209669 610115768 /nfs/dbraw/zinc/11/57/68/610115768.db2.gz XKMXDBWRXPXQRV-CVEARBPZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000939892713 610164963 /nfs/dbraw/zinc/16/49/63/610164963.db2.gz VLCYCSZCVJKWMD-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000939892713 610164965 /nfs/dbraw/zinc/16/49/65/610164965.db2.gz VLCYCSZCVJKWMD-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000939599525 610245219 /nfs/dbraw/zinc/24/52/19/610245219.db2.gz KNGMLWGNLVWPJM-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000939599525 610245220 /nfs/dbraw/zinc/24/52/20/610245220.db2.gz KNGMLWGNLVWPJM-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(C)([NH2+]Cc3nc(C)no3)CC2)nn1 ZINC000940370198 610273239 /nfs/dbraw/zinc/27/32/39/610273239.db2.gz UAOLFSGLTYDBBT-UHFFFAOYSA-N 1 1 345.407 0.940 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000940523497 610295868 /nfs/dbraw/zinc/29/58/68/610295868.db2.gz YNMQMZLKANZQSE-QZTJIDSGSA-N 1 1 339.439 0.879 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cccc4[nH]c(=O)[nH]c43)CC2)C1 ZINC000941438133 610315639 /nfs/dbraw/zinc/31/56/39/610315639.db2.gz LEXTUCPLWDCAHZ-UHFFFAOYSA-N 1 1 341.415 0.897 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(CN(C)C)on3)CC2)C1 ZINC000941464227 610319443 /nfs/dbraw/zinc/31/94/43/610319443.db2.gz GYMUZWZRUAQGNM-UHFFFAOYSA-N 1 1 345.447 0.202 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4nccn4C3)CC2)C1 ZINC000941463772 610322055 /nfs/dbraw/zinc/32/20/55/610322055.db2.gz AJBQTAKSMDIVPZ-MRXNPFEDSA-N 1 1 343.475 0.850 20 30 ECEDMO C=CCC[NH+]1CC(N2CCN(C(=O)c3cn(C)c(C)cc3=O)CC2)C1 ZINC000941446918 610322196 /nfs/dbraw/zinc/32/21/96/610322196.db2.gz IMGLRSSHNADVIO-UHFFFAOYSA-N 1 1 344.459 0.712 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccn(CC(F)F)n3)CC2)C1 ZINC000941447039 610322345 /nfs/dbraw/zinc/32/23/45/610322345.db2.gz MEUOGJSPRVJAFS-UHFFFAOYSA-N 1 1 339.390 0.776 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3CCC)CC2)C1 ZINC000941470976 610329759 /nfs/dbraw/zinc/32/97/59/610329759.db2.gz LGBOWKSQTIPRTM-UHFFFAOYSA-N 1 1 329.448 0.828 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(CC#N)C2)CC1 ZINC000941471394 610329986 /nfs/dbraw/zinc/32/99/86/610329986.db2.gz ZJIODRODPQWTTO-KRWDZBQOSA-N 1 1 333.480 0.459 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)C1 ZINC000941483968 610337266 /nfs/dbraw/zinc/33/72/66/610337266.db2.gz LCRJVESFJMCBRW-RBUKOAKNSA-N 1 1 345.487 0.901 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000940745676 610347476 /nfs/dbraw/zinc/34/74/76/610347476.db2.gz SGDZAHSRMARAPF-ZFWWWQNUSA-N 1 1 343.431 0.613 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)C1 ZINC000941506598 610348117 /nfs/dbraw/zinc/34/81/17/610348117.db2.gz NCCYBAKCGRNWNB-UHFFFAOYSA-N 1 1 345.491 0.984 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)C1 ZINC000941509412 610349859 /nfs/dbraw/zinc/34/98/59/610349859.db2.gz INFIUTCABMMCPC-UHFFFAOYSA-N 1 1 345.447 0.817 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000940785542 610360947 /nfs/dbraw/zinc/36/09/47/610360947.db2.gz NOIOKFFDNFVCJV-CQSZACIVSA-N 1 1 341.477 0.262 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1 ZINC000942259793 610365032 /nfs/dbraw/zinc/36/50/32/610365032.db2.gz UKDPWPGVGMJDQA-VXGBXAGGSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C(C)(C)C1 ZINC000940781833 610368997 /nfs/dbraw/zinc/36/89/97/610368997.db2.gz DDLAFGRJSIBQQE-KBPBESRZSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ncccc2F)C1 ZINC000942282199 610371746 /nfs/dbraw/zinc/37/17/46/610371746.db2.gz RWQMCKZFDQPHJM-HIFRSBDPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ncccc2F)C1 ZINC000942282199 610371749 /nfs/dbraw/zinc/37/17/49/610371749.db2.gz RWQMCKZFDQPHJM-HIFRSBDPSA-N 1 1 344.390 0.649 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000940812748 610386329 /nfs/dbraw/zinc/38/63/29/610386329.db2.gz VFNGCCGBTUGAMF-CZUORRHYSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2ccoc2)CC1 ZINC000940832143 610391739 /nfs/dbraw/zinc/39/17/39/610391739.db2.gz XWFPKQYELPOCHB-KRWDZBQOSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2ccoc2)CC1 ZINC000940832143 610391742 /nfs/dbraw/zinc/39/17/42/610391742.db2.gz XWFPKQYELPOCHB-KRWDZBQOSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C(C)(C)C1 ZINC000940847134 610397835 /nfs/dbraw/zinc/39/78/35/610397835.db2.gz POQSILUIATVFOJ-CQSZACIVSA-N 1 1 326.462 0.661 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCN(C3C[NH+](CC=C)C3)CC2)nn1 ZINC000941601540 610402068 /nfs/dbraw/zinc/40/20/68/610402068.db2.gz RQNRKHYHNPOPLM-UHFFFAOYSA-N 1 1 330.436 0.482 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000940867609 610403666 /nfs/dbraw/zinc/40/36/66/610403666.db2.gz GAHQSXYRDDQGFO-ZDUSSCGKSA-N 1 1 334.420 0.742 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CC2)C1 ZINC000941607127 610405287 /nfs/dbraw/zinc/40/52/87/610405287.db2.gz IEZBPEOBXYTRLE-CQSZACIVSA-N 1 1 343.475 0.982 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000942343473 610413017 /nfs/dbraw/zinc/41/30/17/610413017.db2.gz ZRXGFPXGWISUDL-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000942343473 610413018 /nfs/dbraw/zinc/41/30/18/610413018.db2.gz ZRXGFPXGWISUDL-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@@H]3CC)CC2)C1 ZINC000941632457 610418841 /nfs/dbraw/zinc/41/88/41/610418841.db2.gz GVYZVFDYIMVGGC-INIZCTEOSA-N 1 1 346.475 0.239 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000942430085 610446478 /nfs/dbraw/zinc/44/64/78/610446478.db2.gz PSWCQRRHEWRDSU-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](C)N3CCCCC3=O)CC2)C1 ZINC000941676908 610449395 /nfs/dbraw/zinc/44/93/95/610449395.db2.gz HQXWHRMCJXTAMT-INIZCTEOSA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(C(N)=O)cs3)CC2)C1 ZINC000941676886 610449613 /nfs/dbraw/zinc/44/96/13/610449613.db2.gz GRWFIOGPPNZHPB-UHFFFAOYSA-N 1 1 348.472 0.865 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)N3CCCCC3=O)CC2)C1 ZINC000941677060 610450082 /nfs/dbraw/zinc/45/00/82/610450082.db2.gz IZZBGNFLNGWOSJ-INIZCTEOSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000941678296 610451387 /nfs/dbraw/zinc/45/13/87/610451387.db2.gz ZIRWWVHCVPJVBP-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](C)C1 ZINC000942548194 610507930 /nfs/dbraw/zinc/50/79/30/610507930.db2.gz RTBCVMXBCZVROY-PWSUYJOCSA-N 1 1 330.396 0.320 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](C)C1 ZINC000942551298 610509556 /nfs/dbraw/zinc/50/95/56/610509556.db2.gz RAHNJVPAAXHLHI-SWLSCSKDSA-N 1 1 330.432 0.861 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000941050216 610511623 /nfs/dbraw/zinc/51/16/23/610511623.db2.gz QDFPQDGSWYFJHA-LSDHHAIUSA-N 1 1 344.463 0.866 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000942554231 610512821 /nfs/dbraw/zinc/51/28/21/610512821.db2.gz NIPOBVHJPWKWEW-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562177 610517776 /nfs/dbraw/zinc/51/77/76/610517776.db2.gz IGVNCECOHWIVKR-GOEBONIOSA-N 1 1 338.415 0.702 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941088241 610530590 /nfs/dbraw/zinc/53/05/90/610530590.db2.gz WOYPJGSUUYZHDM-TZMCWYRMSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941088241 610530593 /nfs/dbraw/zinc/53/05/93/610530593.db2.gz WOYPJGSUUYZHDM-TZMCWYRMSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000941090260 610531393 /nfs/dbraw/zinc/53/13/93/610531393.db2.gz BKZHZQQVMKNAPK-YNAXMUEKSA-N 1 1 348.447 0.767 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000941090652 610531475 /nfs/dbraw/zinc/53/14/75/610531475.db2.gz IPRBUCQUVIEQCF-YNAXMUEKSA-N 1 1 348.447 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2ccon2)C1 ZINC000942695558 610570261 /nfs/dbraw/zinc/57/02/61/610570261.db2.gz HHLVMXBCJRXAPX-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2ccon2)C1 ZINC000942695558 610570262 /nfs/dbraw/zinc/57/02/62/610570262.db2.gz HHLVMXBCJRXAPX-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000941163634 610570929 /nfs/dbraw/zinc/57/09/29/610570929.db2.gz NPYSKVLWIQCSDX-CYBMUJFWSA-N 1 1 344.419 0.824 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000941205605 610595945 /nfs/dbraw/zinc/59/59/45/610595945.db2.gz ALKXJTSPYREDJL-CYBMUJFWSA-N 1 1 334.420 0.120 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2CCCO2)C1 ZINC000942753684 610599845 /nfs/dbraw/zinc/59/98/45/610599845.db2.gz XXERQFUXAZOBEY-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2CCCO2)C1 ZINC000942753684 610599847 /nfs/dbraw/zinc/59/98/47/610599847.db2.gz XXERQFUXAZOBEY-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2nccc2C)C1 ZINC000941245105 610616228 /nfs/dbraw/zinc/61/62/28/610616228.db2.gz JKGHUKACPCBHTI-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2nccc2C)C1 ZINC000941245105 610616230 /nfs/dbraw/zinc/61/62/30/610616230.db2.gz JKGHUKACPCBHTI-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000941237747 610621805 /nfs/dbraw/zinc/62/18/05/610621805.db2.gz ITSOCJIMNMFSSZ-AGIUHOORSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000941237747 610621806 /nfs/dbraw/zinc/62/18/06/610621806.db2.gz ITSOCJIMNMFSSZ-AGIUHOORSA-N 1 1 325.359 0.456 20 30 ECEDMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000942801526 610628361 /nfs/dbraw/zinc/62/83/61/610628361.db2.gz LLWKJLWDCYZWOT-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](C)C1 ZINC000942056837 610635590 /nfs/dbraw/zinc/63/55/90/610635590.db2.gz JFARCCDTDVKEEW-KBPBESRZSA-N 1 1 333.432 0.621 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942847372 610646479 /nfs/dbraw/zinc/64/64/79/610646479.db2.gz QCPWACCMLJQGCO-HYVNUMGLSA-N 1 1 347.459 0.568 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942847372 610646480 /nfs/dbraw/zinc/64/64/80/610646480.db2.gz QCPWACCMLJQGCO-HYVNUMGLSA-N 1 1 347.459 0.568 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1)CC2 ZINC000942103171 610652030 /nfs/dbraw/zinc/65/20/30/610652030.db2.gz LXTBXKSVVZLFBE-ZFWWWQNUSA-N 1 1 343.431 0.975 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 ZINC000942105060 610652443 /nfs/dbraw/zinc/65/24/43/610652443.db2.gz GNURQXKUGAUAEE-YPMHNXCESA-N 1 1 349.884 0.601 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 ZINC000942105060 610652444 /nfs/dbraw/zinc/65/24/44/610652444.db2.gz GNURQXKUGAUAEE-YPMHNXCESA-N 1 1 349.884 0.601 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000942189564 610689920 /nfs/dbraw/zinc/68/99/20/610689920.db2.gz SUCYONZAZKYUFJ-CMPLNLGQSA-N 1 1 327.406 0.553 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@H](C)C1 ZINC000942219776 610700599 /nfs/dbraw/zinc/70/05/99/610700599.db2.gz NQXIFFBGHXUOKV-WBVHZDCISA-N 1 1 345.443 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000943106638 610730416 /nfs/dbraw/zinc/73/04/16/610730416.db2.gz GSMYPUUJGXIFEM-HOTGVXAUSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000943106638 610730417 /nfs/dbraw/zinc/73/04/17/610730417.db2.gz GSMYPUUJGXIFEM-HOTGVXAUSA-N 1 1 343.431 0.618 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000943265394 610768769 /nfs/dbraw/zinc/76/87/69/610768769.db2.gz SLUJSMMRDBBCNN-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000943265395 610769041 /nfs/dbraw/zinc/76/90/41/610769041.db2.gz SLUJSMMRDBBCNN-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 ZINC000944155377 610770127 /nfs/dbraw/zinc/77/01/27/610770127.db2.gz ONHUCZOJNFAAGE-VXGBXAGGSA-N 1 1 330.392 0.434 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CNC(N)=O)cc2)[C@H](C)C1 ZINC000944831629 610801739 /nfs/dbraw/zinc/80/17/39/610801739.db2.gz QUOKTYZUOGHQKQ-CZUORRHYSA-N 1 1 328.416 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2CCOCC2)CC1 ZINC000943388205 610832037 /nfs/dbraw/zinc/83/20/37/610832037.db2.gz IJIAKDXAWASHLH-KRWDZBQOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2CCOCC2)CC1 ZINC000943388205 610832040 /nfs/dbraw/zinc/83/20/40/610832040.db2.gz IJIAKDXAWASHLH-KRWDZBQOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C[C@@H]2C)cc1 ZINC000943464023 610850850 /nfs/dbraw/zinc/85/08/50/610850850.db2.gz CAQFESSODBEXIB-WMLDXEAASA-N 1 1 343.427 0.885 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)CC1 ZINC000944967929 610861014 /nfs/dbraw/zinc/86/10/14/610861014.db2.gz WOWYWKMQQJJIIJ-CVEARBPZSA-N 1 1 342.443 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)CC1 ZINC000944967929 610861016 /nfs/dbraw/zinc/86/10/16/610861016.db2.gz WOWYWKMQQJJIIJ-CVEARBPZSA-N 1 1 342.443 0.695 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC000945035155 610890207 /nfs/dbraw/zinc/89/02/07/610890207.db2.gz KGGMCZYYKAOTOA-HUUCEWRRSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2=COCCC2)CC1 ZINC000945183776 610944307 /nfs/dbraw/zinc/94/43/07/610944307.db2.gz ZYRCIEDJFFTNHX-KRWDZBQOSA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2=COCCC2)CC1 ZINC000945183776 610944308 /nfs/dbraw/zinc/94/43/08/610944308.db2.gz ZYRCIEDJFFTNHX-KRWDZBQOSA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)(F)F)CCO1 ZINC000944646510 611055690 /nfs/dbraw/zinc/05/56/90/611055690.db2.gz IKUPKYBLHLOOGH-STQMWFEESA-N 1 1 343.374 0.083 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)(F)F)CCO1 ZINC000944646510 611055693 /nfs/dbraw/zinc/05/56/93/611055693.db2.gz IKUPKYBLHLOOGH-STQMWFEESA-N 1 1 343.374 0.083 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CCC2CC2)CCO1 ZINC000944648641 611057500 /nfs/dbraw/zinc/05/75/00/611057500.db2.gz WBTOLEKSNFQLFN-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CCC2CC2)CCO1 ZINC000944648641 611057503 /nfs/dbraw/zinc/05/75/03/611057503.db2.gz WBTOLEKSNFQLFN-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 ZINC000943986146 611070005 /nfs/dbraw/zinc/07/00/05/611070005.db2.gz CWCPOONWYDEQKN-CHWSQXEVSA-N 1 1 336.436 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cnn(C)c2)CC1 ZINC000944086120 611119925 /nfs/dbraw/zinc/11/99/25/611119925.db2.gz GRNAWQGJPBEXLI-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cnn(C)c2)CC1 ZINC000944086120 611119927 /nfs/dbraw/zinc/11/99/27/611119927.db2.gz GRNAWQGJPBEXLI-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cncs1 ZINC000944097879 611130909 /nfs/dbraw/zinc/13/09/09/611130909.db2.gz OLUGKUKMNUVHSO-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cncs1 ZINC000944097879 611130910 /nfs/dbraw/zinc/13/09/10/611130910.db2.gz OLUGKUKMNUVHSO-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2c(OC)ncnc2OC)[C@H](C)C1 ZINC000945944053 611163055 /nfs/dbraw/zinc/16/30/55/611163055.db2.gz RCLAGYCSEVECOP-OLZOCXBDSA-N 1 1 332.404 0.957 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)nn1 ZINC000922957379 611186505 /nfs/dbraw/zinc/18/65/05/611186505.db2.gz UTWYCGWUFKOSNX-HNNXBMFYSA-N 1 1 334.424 0.517 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cnccc3=O)CC[C@@H]2C1 ZINC000946839812 611188616 /nfs/dbraw/zinc/18/86/16/611188616.db2.gz NOLUCHJTHXTSHI-IYBDPMFKSA-N 1 1 330.432 0.990 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)NCC[S@@](=O)CC(F)(F)F)CC1 ZINC000923185362 611211622 /nfs/dbraw/zinc/21/16/22/611211622.db2.gz FHHHTSODDATSGD-JOCHJYFZSA-N 1 1 339.383 0.694 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)CC[C@@H]2C1 ZINC000946877876 611218256 /nfs/dbraw/zinc/21/82/56/611218256.db2.gz CHLJFRFKQWUQDO-IXDOHACOSA-N 1 1 333.432 0.037 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)CC[C@@H]2C1 ZINC000946880939 611220686 /nfs/dbraw/zinc/22/06/86/611220686.db2.gz MGZPVCTUQPCKAJ-IYBDPMFKSA-N 1 1 347.463 0.637 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000946092704 611227657 /nfs/dbraw/zinc/22/76/57/611227657.db2.gz MCUASWPHPVOSFK-WFASDCNBSA-N 1 1 343.431 0.805 20 30 ECEDMO C#C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)C1CCOCC1 ZINC000923327150 611230141 /nfs/dbraw/zinc/23/01/41/611230141.db2.gz QAPDUHLTPMQYOB-IRXDYDNUSA-N 1 1 335.448 0.967 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)CC[C@@H]2C1 ZINC000946895848 611238428 /nfs/dbraw/zinc/23/84/28/611238428.db2.gz AGLMMIOKMAUSPO-GASCZTMLSA-N 1 1 340.427 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 ZINC000923560105 611261789 /nfs/dbraw/zinc/26/17/89/611261789.db2.gz ZIJXVUAJVQECRX-ZDUSSCGKSA-N 1 1 340.383 0.196 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 ZINC000923560105 611261790 /nfs/dbraw/zinc/26/17/90/611261790.db2.gz ZIJXVUAJVQECRX-ZDUSSCGKSA-N 1 1 340.383 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2csc(N3CCOCC3)n2)C1 ZINC000923562071 611263043 /nfs/dbraw/zinc/26/30/43/611263043.db2.gz RHWQNFDQQUZGOQ-CQSZACIVSA-N 1 1 348.472 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2csc(N3CCOCC3)n2)C1 ZINC000923562071 611263044 /nfs/dbraw/zinc/26/30/44/611263044.db2.gz RHWQNFDQQUZGOQ-CQSZACIVSA-N 1 1 348.472 0.736 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC000923565791 611264029 /nfs/dbraw/zinc/26/40/29/611264029.db2.gz LCYZBICQVGIXSR-RYUDHWBXSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC000923565791 611264031 /nfs/dbraw/zinc/26/40/31/611264031.db2.gz LCYZBICQVGIXSR-RYUDHWBXSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN(C)C(=O)[C@H](C)n2cccn2)C1 ZINC000923584283 611267926 /nfs/dbraw/zinc/26/79/26/611267926.db2.gz GCAPQKPAYBLTKJ-LSDHHAIUSA-N 1 1 331.420 0.116 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(=O)[C@H](C)n2cccn2)C1 ZINC000923584283 611267928 /nfs/dbraw/zinc/26/79/28/611267928.db2.gz GCAPQKPAYBLTKJ-LSDHHAIUSA-N 1 1 331.420 0.116 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCc2nc(-c3ncccn3)no2)C1 ZINC000923580120 611268242 /nfs/dbraw/zinc/26/82/42/611268242.db2.gz YLCIEYTZPAPZFP-ZDUSSCGKSA-N 1 1 340.387 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCc2nc(-c3ncccn3)no2)C1 ZINC000923580120 611268244 /nfs/dbraw/zinc/26/82/44/611268244.db2.gz YLCIEYTZPAPZFP-ZDUSSCGKSA-N 1 1 340.387 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc(Br)cn2)C1 ZINC000923587192 611270031 /nfs/dbraw/zinc/27/00/31/611270031.db2.gz VZDCDGVPSAGWLR-LBPRGKRZSA-N 1 1 325.210 0.859 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc(Br)cn2)C1 ZINC000923587192 611270032 /nfs/dbraw/zinc/27/00/32/611270032.db2.gz VZDCDGVPSAGWLR-LBPRGKRZSA-N 1 1 325.210 0.859 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000834600441 611294543 /nfs/dbraw/zinc/29/45/43/611294543.db2.gz YQDOGHZOTBLUOJ-DLBZAZTESA-N 1 1 348.491 0.248 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)CC[C@@H]3C2)C1=O ZINC000946521157 611298571 /nfs/dbraw/zinc/29/85/71/611298571.db2.gz JQRAINDNGAZIKD-JONQDZQNSA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@H]2CC1 ZINC000946521476 611299118 /nfs/dbraw/zinc/29/91/18/611299118.db2.gz SPYWNRAQWRPJJJ-MCIONIFRSA-N 1 1 345.403 0.943 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@H]2CC1 ZINC000946521476 611299120 /nfs/dbraw/zinc/29/91/20/611299120.db2.gz SPYWNRAQWRPJJJ-MCIONIFRSA-N 1 1 345.403 0.943 20 30 ECEDMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1 ZINC000946542469 611313940 /nfs/dbraw/zinc/31/39/40/611313940.db2.gz QDRYUZRRVOUVBN-AEGPPILISA-N 1 1 343.431 0.805 20 30 ECEDMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1 ZINC000946558793 611319233 /nfs/dbraw/zinc/31/92/33/611319233.db2.gz LPXNAOGEERGKFF-OKILXGFUSA-N 1 1 343.431 0.759 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cn1 ZINC000921911504 611325992 /nfs/dbraw/zinc/32/59/92/611325992.db2.gz INILAIPAMBGMKD-AWEZNQCLSA-N 1 1 336.417 0.485 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)cn1 ZINC000921911504 611325993 /nfs/dbraw/zinc/32/59/93/611325993.db2.gz INILAIPAMBGMKD-AWEZNQCLSA-N 1 1 336.417 0.485 20 30 ECEDMO C#CCC1(O)CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000922187340 611342271 /nfs/dbraw/zinc/34/22/71/611342271.db2.gz OQFVBBQZZSKUGG-OAHLLOKOSA-N 1 1 336.432 0.638 20 30 ECEDMO CN(C)c1ncc(CNc2n[nH]c(N3CCOCC3)c2C#N)n1C ZINC000922362864 611348743 /nfs/dbraw/zinc/34/87/43/611348743.db2.gz RZYOAFDJFJNYMO-UHFFFAOYSA-N 1 1 330.396 0.530 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000922413241 611350020 /nfs/dbraw/zinc/35/00/20/611350020.db2.gz NRSQIQYHRGIUDL-SQWLQELKSA-N 1 1 333.436 0.486 20 30 ECEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929395396 611750331 /nfs/dbraw/zinc/75/03/31/611750331.db2.gz QZDSYWTVTQMTOS-ZWKOTPCHSA-N 1 1 334.416 0.909 20 30 ECEDMO Cc1oc(NC(=O)CN2CCN(C)CC[N@H+](C)CC2)c(C#N)c1C ZINC000933998905 611765115 /nfs/dbraw/zinc/76/51/15/611765115.db2.gz RDFNPGQFPURIBF-UHFFFAOYSA-N 1 1 333.436 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC000950648383 611816574 /nfs/dbraw/zinc/81/65/74/611816574.db2.gz MKWBGSMETSAMJD-XYPHTWIQSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC000950648383 611816576 /nfs/dbraw/zinc/81/65/76/611816576.db2.gz MKWBGSMETSAMJD-XYPHTWIQSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000950648620 611816683 /nfs/dbraw/zinc/81/66/83/611816683.db2.gz VAAMGTYPFXIMHF-OIISXLGYSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000950648620 611816685 /nfs/dbraw/zinc/81/66/85/611816685.db2.gz VAAMGTYPFXIMHF-OIISXLGYSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC000949957082 611828563 /nfs/dbraw/zinc/82/85/63/611828563.db2.gz OXTBFNJFGVXTIY-CVEARBPZSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC000949957082 611828565 /nfs/dbraw/zinc/82/85/65/611828565.db2.gz OXTBFNJFGVXTIY-CVEARBPZSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cccn2C)C1 ZINC000950056811 611855154 /nfs/dbraw/zinc/85/51/54/611855154.db2.gz GDQARTQZWBVEOJ-CVEARBPZSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cccn2C)C1 ZINC000950056811 611855157 /nfs/dbraw/zinc/85/51/57/611855157.db2.gz GDQARTQZWBVEOJ-CVEARBPZSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC000949112005 611858865 /nfs/dbraw/zinc/85/88/65/611858865.db2.gz GPNASGMWKAYGMG-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC000949112005 611858866 /nfs/dbraw/zinc/85/88/66/611858866.db2.gz GPNASGMWKAYGMG-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1coc(CC)n1 ZINC000950754960 611890014 /nfs/dbraw/zinc/89/00/14/611890014.db2.gz AEJHQCDAHKCURT-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1coc(CC)n1 ZINC000950754960 611890015 /nfs/dbraw/zinc/89/00/15/611890015.db2.gz AEJHQCDAHKCURT-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cscn1 ZINC000950755185 611890851 /nfs/dbraw/zinc/89/08/51/611890851.db2.gz GAEGRDJLNNLSIV-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cscn1 ZINC000950755185 611890853 /nfs/dbraw/zinc/89/08/53/611890853.db2.gz GAEGRDJLNNLSIV-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1nccn1CC ZINC000950756002 611891809 /nfs/dbraw/zinc/89/18/09/611891809.db2.gz ZSQVWRWIJQFSNQ-GJZGRUSLSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1nccn1CC ZINC000950756002 611891810 /nfs/dbraw/zinc/89/18/10/611891810.db2.gz ZSQVWRWIJQFSNQ-GJZGRUSLSA-N 1 1 343.431 0.331 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000950761019 611894732 /nfs/dbraw/zinc/89/47/32/611894732.db2.gz DCDLPTPHDFTFGT-APWZRJJASA-N 1 1 329.444 0.993 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950761754 611895193 /nfs/dbraw/zinc/89/51/93/611895193.db2.gz NGMQGEZWNRFDQV-IAGOWNOFSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950761754 611895195 /nfs/dbraw/zinc/89/51/95/611895195.db2.gz NGMQGEZWNRFDQV-IAGOWNOFSA-N 1 1 347.459 0.616 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000950252544 611929406 /nfs/dbraw/zinc/92/94/06/611929406.db2.gz UFNXXKCZYNNVMF-IJEWVQPXSA-N 1 1 343.431 0.947 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000949298129 611931191 /nfs/dbraw/zinc/93/11/91/611931191.db2.gz JSTYJIOUTVQOLJ-OFQRWUPVSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CCn3cncn3)CC2)C1 ZINC000949299049 611931850 /nfs/dbraw/zinc/93/18/50/611931850.db2.gz ZGUAPNNXPNZLPU-UHFFFAOYSA-N 1 1 331.420 0.385 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 ZINC000949346662 611947304 /nfs/dbraw/zinc/94/73/04/611947304.db2.gz QDLQYCPLEOXZCX-UHFFFAOYSA-N 1 1 335.404 0.861 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950861149 611950254 /nfs/dbraw/zinc/95/02/54/611950254.db2.gz AHKMBRKPLAWCCP-UONOGXRCSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950862877 611951463 /nfs/dbraw/zinc/95/14/63/611951463.db2.gz NGZFDXAJDXQUDI-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)C1 ZINC000949429915 611977016 /nfs/dbraw/zinc/97/70/16/611977016.db2.gz INDGEJIQUYFHNE-HUUCEWRRSA-N 1 1 333.432 0.215 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1 ZINC000949433122 611978789 /nfs/dbraw/zinc/97/87/89/611978789.db2.gz CLLVYNXLXVJHHN-UHFFFAOYSA-N 1 1 332.404 0.456 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC000949472383 611992254 /nfs/dbraw/zinc/99/22/54/611992254.db2.gz BDPVIHVNPFOLDN-UHFFFAOYSA-N 1 1 344.415 0.444 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC000949473223 611992850 /nfs/dbraw/zinc/99/28/50/611992850.db2.gz XLEMIUHKNNECHB-UHFFFAOYSA-N 1 1 346.431 0.997 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949493626 612005315 /nfs/dbraw/zinc/00/53/15/612005315.db2.gz YSWCKWIXWZVPHU-HOTGVXAUSA-N 1 1 338.448 0.653 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC000949507159 612013424 /nfs/dbraw/zinc/01/34/24/612013424.db2.gz WOXSJSUWVFFKDI-UHFFFAOYSA-N 1 1 344.415 0.816 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC000949507159 612013427 /nfs/dbraw/zinc/01/34/27/612013427.db2.gz WOXSJSUWVFFKDI-UHFFFAOYSA-N 1 1 344.415 0.816 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950482375 612035418 /nfs/dbraw/zinc/03/54/18/612035418.db2.gz LFJMFIKGHYFHET-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H]2CCCN(C)C2=O)C1 ZINC000950533807 612058017 /nfs/dbraw/zinc/05/80/17/612058017.db2.gz NHNKXMQATVGZJH-IRXDYDNUSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H]2CCCN(C)C2=O)C1 ZINC000950533807 612058018 /nfs/dbraw/zinc/05/80/18/612058018.db2.gz NHNKXMQATVGZJH-IRXDYDNUSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cnccn2)C1 ZINC000951223244 612087829 /nfs/dbraw/zinc/08/78/29/612087829.db2.gz AQUJKOIVDBHSKX-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cnccn2)C1 ZINC000951223244 612087830 /nfs/dbraw/zinc/08/78/30/612087830.db2.gz AQUJKOIVDBHSKX-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC000951223378 612087961 /nfs/dbraw/zinc/08/79/61/612087961.db2.gz GJKANINERYAAHA-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC000951223378 612087963 /nfs/dbraw/zinc/08/79/63/612087963.db2.gz GJKANINERYAAHA-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000951224127 612089377 /nfs/dbraw/zinc/08/93/77/612089377.db2.gz YDXUESBBOKBZMP-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000951224127 612089378 /nfs/dbraw/zinc/08/93/78/612089378.db2.gz YDXUESBBOKBZMP-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCCN(C(=O)COC)C2 ZINC000952920677 612125225 /nfs/dbraw/zinc/12/52/25/612125225.db2.gz MMTUUJXEQXTBQO-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCCN(C(=O)COC)C2 ZINC000952920677 612125227 /nfs/dbraw/zinc/12/52/27/612125227.db2.gz MMTUUJXEQXTBQO-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000951957540 612152745 /nfs/dbraw/zinc/15/27/45/612152745.db2.gz CDTZNYWTJIFDFR-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC000952011706 612175001 /nfs/dbraw/zinc/17/50/01/612175001.db2.gz ASJYGNBEMLALNT-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)Cn2cc[nH+]c2C)c1 ZINC000952014654 612177229 /nfs/dbraw/zinc/17/72/29/612177229.db2.gz QXDLHZYSSHCQDS-MRXNPFEDSA-N 1 1 337.383 0.599 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000951375873 612191743 /nfs/dbraw/zinc/19/17/43/612191743.db2.gz NKOZKZZTUYLANY-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000952034504 612193197 /nfs/dbraw/zinc/19/31/97/612193197.db2.gz OBWMQQSVSGFNBE-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cn2cc[nH+]c2C)nc1 ZINC000951378170 612194727 /nfs/dbraw/zinc/19/47/27/612194727.db2.gz OXXDHTNUGQVYTE-HNNXBMFYSA-N 1 1 337.383 0.599 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000952154237 612253279 /nfs/dbraw/zinc/25/32/79/612253279.db2.gz MBJFAAXUSADQGY-STQMWFEESA-N 1 1 345.403 0.761 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000954472274 612308718 /nfs/dbraw/zinc/30/87/18/612308718.db2.gz DBFHGOHECDCJDC-NHYWBVRUSA-N 1 1 344.419 0.619 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000954472274 612308722 /nfs/dbraw/zinc/30/87/22/612308722.db2.gz DBFHGOHECDCJDC-NHYWBVRUSA-N 1 1 344.419 0.619 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000952245280 612320403 /nfs/dbraw/zinc/32/04/03/612320403.db2.gz CDEPWDKGOUHCPB-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC000955264291 612394370 /nfs/dbraw/zinc/39/43/70/612394370.db2.gz YUZGUEIWOKGZGF-AWEZNQCLSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CC3(CC3)C2)C1 ZINC000955265430 612395697 /nfs/dbraw/zinc/39/56/97/612395697.db2.gz VSHQSZCNDDRUJP-INIZCTEOSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CC3(CC3)C2)C1 ZINC000955265430 612395704 /nfs/dbraw/zinc/39/57/04/612395704.db2.gz VSHQSZCNDDRUJP-INIZCTEOSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnc(C)cn2)C1 ZINC000953617583 612448908 /nfs/dbraw/zinc/44/89/08/612448908.db2.gz VOOSCDJAROLSOK-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnc(C)cn2)C1 ZINC000953617583 612448911 /nfs/dbraw/zinc/44/89/11/612448911.db2.gz VOOSCDJAROLSOK-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2c[nH]cn2)C1 ZINC000954630372 612467039 /nfs/dbraw/zinc/46/70/39/612467039.db2.gz DDQKGQHQDSJYBL-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2c[nH]cn2)C1 ZINC000954630372 612467043 /nfs/dbraw/zinc/46/70/43/612467043.db2.gz DDQKGQHQDSJYBL-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2csc(=O)[nH]2)C1 ZINC000954631343 612470525 /nfs/dbraw/zinc/47/05/25/612470525.db2.gz XKWXQFHERXMGJK-ZDUSSCGKSA-N 1 1 348.428 0.229 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2csc(=O)[nH]2)C1 ZINC000954631343 612470528 /nfs/dbraw/zinc/47/05/28/612470528.db2.gz XKWXQFHERXMGJK-ZDUSSCGKSA-N 1 1 348.428 0.229 20 30 ECEDMO CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954637309 612478217 /nfs/dbraw/zinc/47/82/17/612478217.db2.gz ZDTDOTWGLCQAPS-CHWSQXEVSA-N 1 1 338.371 0.696 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cocn1 ZINC000955927432 612493913 /nfs/dbraw/zinc/49/39/13/612493913.db2.gz OJCVCTPRKMAMRQ-ZFWWWQNUSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cocn1 ZINC000955927432 612493914 /nfs/dbraw/zinc/49/39/14/612493914.db2.gz OJCVCTPRKMAMRQ-ZFWWWQNUSA-N 1 1 330.388 0.493 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000955928051 612494734 /nfs/dbraw/zinc/49/47/34/612494734.db2.gz WYPZQTDVNVWTPK-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955948291 612521476 /nfs/dbraw/zinc/52/14/76/612521476.db2.gz JUZOVFLWOQHAFP-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cncnc1 ZINC000955980278 612559361 /nfs/dbraw/zinc/55/93/61/612559361.db2.gz YGVKYSXPXHAQLK-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cncnc1 ZINC000955980278 612559364 /nfs/dbraw/zinc/55/93/64/612559364.db2.gz YGVKYSXPXHAQLK-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956802756 612566585 /nfs/dbraw/zinc/56/65/85/612566585.db2.gz SELASFXKPGYJHA-SCLBCKFNSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000954706387 612574270 /nfs/dbraw/zinc/57/42/70/612574270.db2.gz LNUUZPZAINQCOC-IRXDYDNUSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000954044802 612585743 /nfs/dbraw/zinc/58/57/43/612585743.db2.gz RLLAWNIBZDYMMP-HNNXBMFYSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000954044802 612585745 /nfs/dbraw/zinc/58/57/45/612585745.db2.gz RLLAWNIBZDYMMP-HNNXBMFYSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]nc2CC)C1 ZINC000954725451 612609249 /nfs/dbraw/zinc/60/92/49/612609249.db2.gz NFHGCTVOXAQEGF-INIZCTEOSA-N 1 1 343.431 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]nc2CC)C1 ZINC000954725451 612609253 /nfs/dbraw/zinc/60/92/53/612609253.db2.gz NFHGCTVOXAQEGF-INIZCTEOSA-N 1 1 343.431 0.353 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000956021460 612620967 /nfs/dbraw/zinc/62/09/67/612620967.db2.gz DWHVCXNZUCZXTJ-HNNXBMFYSA-N 1 1 340.387 0.812 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000956035175 612636749 /nfs/dbraw/zinc/63/67/49/612636749.db2.gz CPCQGAXDKNJZSO-VHDGCEQUSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC000951814602 612655559 /nfs/dbraw/zinc/65/55/59/612655559.db2.gz OZQXUNSCVKLTPW-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC000951814602 612655561 /nfs/dbraw/zinc/65/55/61/612655561.db2.gz OZQXUNSCVKLTPW-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ncccn1 ZINC000956073786 612677895 /nfs/dbraw/zinc/67/78/95/612677895.db2.gz YJZBOVILCXTECE-GJZGRUSLSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ncccn1 ZINC000956073786 612677896 /nfs/dbraw/zinc/67/78/96/612677896.db2.gz YJZBOVILCXTECE-GJZGRUSLSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1nonc1C ZINC000956081432 612685493 /nfs/dbraw/zinc/68/54/93/612685493.db2.gz ZGMNOWNICDNRKP-KBPBESRZSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1nonc1C ZINC000956081432 612685494 /nfs/dbraw/zinc/68/54/94/612685494.db2.gz ZGMNOWNICDNRKP-KBPBESRZSA-N 1 1 345.403 0.196 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)nc1 ZINC000954795700 612689544 /nfs/dbraw/zinc/68/95/44/612689544.db2.gz QKVVMJLEAVXWEP-UHFFFAOYSA-N 1 1 337.383 0.551 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000956934101 612716203 /nfs/dbraw/zinc/71/62/03/612716203.db2.gz BYJFPHQIXSQFOP-KXBFYZLASA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000956935186 612718006 /nfs/dbraw/zinc/71/80/06/612718006.db2.gz QRXALIYRHIVIQH-DNVCBOLYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cn(CC)cn2)C1 ZINC000954845212 612739820 /nfs/dbraw/zinc/73/98/20/612739820.db2.gz PUZKXBOKAQTKLA-INIZCTEOSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cn(CC)cn2)C1 ZINC000954845212 612739822 /nfs/dbraw/zinc/73/98/22/612739822.db2.gz PUZKXBOKAQTKLA-INIZCTEOSA-N 1 1 343.431 0.283 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000956193217 612772306 /nfs/dbraw/zinc/77/23/06/612772306.db2.gz UTIWJKKESZDPPT-NEPJUHHUSA-N 1 1 333.392 0.617 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)nc1 ZINC000954911616 612780753 /nfs/dbraw/zinc/78/07/53/612780753.db2.gz JBNNEKSMMCBUGI-MRXNPFEDSA-N 1 1 326.400 0.440 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956226526 612787537 /nfs/dbraw/zinc/78/75/37/612787537.db2.gz RGBUSNQNIZFZLY-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000954317424 612846244 /nfs/dbraw/zinc/84/62/44/612846244.db2.gz JWYPGHYYPGDMGO-CQSZACIVSA-N 1 1 326.400 0.297 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000954324984 612856050 /nfs/dbraw/zinc/85/60/50/612856050.db2.gz ZYQNLNPZBVIXDW-MRXNPFEDSA-N 1 1 325.412 0.902 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2(C)CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000956388343 612865538 /nfs/dbraw/zinc/86/55/38/612865538.db2.gz ZWKUIQWKBUREQZ-MRXNPFEDSA-N 1 1 347.459 0.618 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2(C)CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000956388343 612865539 /nfs/dbraw/zinc/86/55/39/612865539.db2.gz ZWKUIQWKBUREQZ-MRXNPFEDSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954403259 612893536 /nfs/dbraw/zinc/89/35/36/612893536.db2.gz OKFSHROCSUAMRV-UAGQMJEPSA-N 1 1 349.475 0.979 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC001041782132 782194582 /nfs/dbraw/zinc/19/45/82/782194582.db2.gz RIIWEXKBIAUWJW-QAPCUYQASA-N 1 1 332.448 0.867 20 30 ECEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164935485 721886473 /nfs/dbraw/zinc/88/64/73/721886473.db2.gz WZIUALUNPDKCGO-CVEARBPZSA-N 1 1 343.431 0.954 20 30 ECEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001164935485 721886475 /nfs/dbraw/zinc/88/64/75/721886475.db2.gz WZIUALUNPDKCGO-CVEARBPZSA-N 1 1 343.431 0.954 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC001041786807 782206365 /nfs/dbraw/zinc/20/63/65/782206365.db2.gz WDQBVYNTEQBQME-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786807 782206368 /nfs/dbraw/zinc/20/63/68/782206368.db2.gz WDQBVYNTEQBQME-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786807 782206373 /nfs/dbraw/zinc/20/63/73/782206373.db2.gz WDQBVYNTEQBQME-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786807 782206374 /nfs/dbraw/zinc/20/63/74/782206374.db2.gz WDQBVYNTEQBQME-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786807 782206393 /nfs/dbraw/zinc/20/63/93/782206393.db2.gz WDQBVYNTEQBQME-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C(=O)Nc2cc(C)on2)CC1 ZINC001098560951 735440764 /nfs/dbraw/zinc/44/07/64/735440764.db2.gz JKXSYAYHRPEEOE-UHFFFAOYSA-N 1 1 348.403 0.230 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(N)=O)c[nH]3)[C@H]2C1 ZINC001083235121 735469165 /nfs/dbraw/zinc/46/91/65/735469165.db2.gz NZPFCRLXEPFUOQ-LSDHHAIUSA-N 1 1 332.404 0.605 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC000971996833 735481309 /nfs/dbraw/zinc/48/13/09/735481309.db2.gz ICJGSLHXFUMLTB-ZACQAIPSSA-N 1 1 335.448 0.032 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(F)F)C2)nn1 ZINC001098592875 738412276 /nfs/dbraw/zinc/41/22/76/738412276.db2.gz ZGHCWVYVAJBJNH-GFCCVEGCSA-N 1 1 329.351 0.609 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)CC1=O ZINC001038319410 738481365 /nfs/dbraw/zinc/48/13/65/738481365.db2.gz XUOLREFNVWLXJZ-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)CC1=O ZINC001038319410 738481368 /nfs/dbraw/zinc/48/13/68/738481368.db2.gz XUOLREFNVWLXJZ-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)c1 ZINC001087346701 738510975 /nfs/dbraw/zinc/51/09/75/738510975.db2.gz QPVPDESHUXXXKI-XFMPKHEZSA-N 1 1 327.388 0.154 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N(CCO)CCNc1cncc(C#N)n1 ZINC001111582790 731489021 /nfs/dbraw/zinc/48/90/21/731489021.db2.gz OIVYTXDJBHLNAK-HNNXBMFYSA-N 1 1 346.435 0.455 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@H+]2CC(=O)NC)cn1 ZINC000969121246 731492830 /nfs/dbraw/zinc/49/28/30/731492830.db2.gz FMXMAHXCLPCCKJ-MRXNPFEDSA-N 1 1 328.416 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@@H+]2CC(=O)NC)cn1 ZINC000969121246 731492833 /nfs/dbraw/zinc/49/28/33/731492833.db2.gz FMXMAHXCLPCCKJ-MRXNPFEDSA-N 1 1 328.416 0.783 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H](n2ccnn2)C1 ZINC001069974086 790266281 /nfs/dbraw/zinc/26/62/81/790266281.db2.gz PYFJUYTVOQTEJY-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H](n2ccnn2)C1 ZINC001069974086 790266285 /nfs/dbraw/zinc/26/62/85/790266285.db2.gz PYFJUYTVOQTEJY-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC000969153158 731533415 /nfs/dbraw/zinc/53/34/15/731533415.db2.gz BHZWNQMGWWNPLY-DLBZAZTESA-N 1 1 335.448 0.618 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1ncccc1C#N ZINC001125279705 731565532 /nfs/dbraw/zinc/56/55/32/731565532.db2.gz MXWBWWXYUQMYKG-GOEBONIOSA-N 1 1 345.447 0.693 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 ZINC001125280391 731577304 /nfs/dbraw/zinc/57/73/04/731577304.db2.gz RHSAHGDDXHMRIY-HIFRSBDPSA-N 1 1 346.435 0.088 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cnc(C)cn3)C2)C1=O ZINC000969242492 731639041 /nfs/dbraw/zinc/63/90/41/731639041.db2.gz IEQUHMTZLDQVJP-XJKSGUPXSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3snnc3C)C2)C1=O ZINC000969279633 731670044 /nfs/dbraw/zinc/67/00/44/731670044.db2.gz AYPUOVWYTWYJDY-MFKMUULPSA-N 1 1 349.460 0.684 20 30 ECEDMO C[C@H](NC(=O)[C@H]1COCCO1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969321456 731717812 /nfs/dbraw/zinc/71/78/12/731717812.db2.gz DOMFCBRMBFWOBD-MAUKXSAKSA-N 1 1 328.412 0.890 20 30 ECEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001213344627 731745053 /nfs/dbraw/zinc/74/50/53/731745053.db2.gz ZEWSOKBOEBCYSL-BFHYXJOUSA-N 1 1 326.441 0.454 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+]([C@H](C)COC)C[C@@H]32)c1 ZINC001083188341 731764733 /nfs/dbraw/zinc/76/47/33/731764733.db2.gz QEVVRVSQWXLCQV-XOKHGSTOSA-N 1 1 329.400 0.623 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Oc3cccnc3)[C@H]2C1 ZINC001083188903 731766842 /nfs/dbraw/zinc/76/68/42/731766842.db2.gz RFEZTWXQUPAPFJ-HYVNUMGLSA-N 1 1 329.400 0.784 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ncoc3C)C2)C1=O ZINC000969370407 731774972 /nfs/dbraw/zinc/77/49/72/731774972.db2.gz MLXVZHMIRIMCLT-BXUZGUMPSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)C3=CCOCC3)C2)C1=O ZINC000969549620 731958278 /nfs/dbraw/zinc/95/82/78/731958278.db2.gz UUJXLIBQOPUOPA-CZUORRHYSA-N 1 1 333.432 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccns3)C2)C1=O ZINC000969779736 732343404 /nfs/dbraw/zinc/34/34/04/732343404.db2.gz QKNRFURKBWSDJY-DGCLKSJQSA-N 1 1 334.445 0.980 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)C1 ZINC000969817484 732408299 /nfs/dbraw/zinc/40/82/99/732408299.db2.gz KXWMUIZPEQBMFB-XQLPTFJDSA-N 1 1 334.420 0.069 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)C1 ZINC000969817484 732408300 /nfs/dbraw/zinc/40/83/00/732408300.db2.gz KXWMUIZPEQBMFB-XQLPTFJDSA-N 1 1 334.420 0.069 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cnns2)C1 ZINC000969865066 732461554 /nfs/dbraw/zinc/46/15/54/732461554.db2.gz IWDZZWZNNCCNNS-DOMZBBRYSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cnns2)C1 ZINC000969865066 732461557 /nfs/dbraw/zinc/46/15/57/732461557.db2.gz IWDZZWZNNCCNNS-DOMZBBRYSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(c3ccccc3)CCCO2)C1 ZINC001078075685 782260696 /nfs/dbraw/zinc/26/06/96/782260696.db2.gz ZTFMNRMRNJHPSA-LMMKCTJWSA-N 1 1 328.412 0.877 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001041816174 782260850 /nfs/dbraw/zinc/26/08/50/782260850.db2.gz LPVYCTARMPBLMV-GOSISDBHSA-N 1 1 346.431 0.265 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(C)c2)C1 ZINC001111583204 732648898 /nfs/dbraw/zinc/64/88/98/732648898.db2.gz LCQMJWRKDLWUAN-YEWWUXTCSA-N 1 1 343.431 0.142 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001078082842 782275178 /nfs/dbraw/zinc/27/51/78/782275178.db2.gz WXLCTSZBMYOFBJ-ZTFGCOKTSA-N 1 1 328.412 0.408 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041824990 782280294 /nfs/dbraw/zinc/28/02/94/782280294.db2.gz ZPGJSZJSBHEHNJ-SUMWQHHRSA-N 1 1 334.420 0.475 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccc(C#N)cn1)C(=O)CCc1cnc[nH]1 ZINC001125319894 732945506 /nfs/dbraw/zinc/94/55/06/732945506.db2.gz FDAWQZOPXFZAGR-HNNXBMFYSA-N 1 1 342.403 0.565 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@](C)(NC(C)=O)C2CC2)CC1 ZINC001098530555 733021430 /nfs/dbraw/zinc/02/14/30/733021430.db2.gz BYKVBQIPVJHUTE-LJQANCHMSA-N 1 1 349.475 0.600 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)CNc1ccnc(C#N)n1 ZINC001104243184 733036735 /nfs/dbraw/zinc/03/67/35/733036735.db2.gz IXQOFPXNLGICPW-CYBMUJFWSA-N 1 1 341.419 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1cccc(F)n1 ZINC001125327341 733047942 /nfs/dbraw/zinc/04/79/42/733047942.db2.gz LZFZXYMTRDGGGW-CABCVRRESA-N 1 1 348.422 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1cccc(F)n1 ZINC001125327341 733047944 /nfs/dbraw/zinc/04/79/44/733047944.db2.gz LZFZXYMTRDGGGW-CABCVRRESA-N 1 1 348.422 0.574 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CNc2cncc(C#N)n2)C(C)(C)C)C1 ZINC001125828865 738684030 /nfs/dbraw/zinc/68/40/30/738684030.db2.gz XWONIFPVIDTTNC-UONOGXRCSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CNc2cncc(C#N)n2)C(C)(C)C)C1 ZINC001125828865 738684033 /nfs/dbraw/zinc/68/40/33/738684033.db2.gz XWONIFPVIDTTNC-UONOGXRCSA-N 1 1 346.435 0.622 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)COc3cccc(C(N)=O)c3)C2)C1 ZINC001041845191 782325623 /nfs/dbraw/zinc/32/56/23/782325623.db2.gz UVEKTUFYXPYGDO-IBGZPJMESA-N 1 1 341.411 0.722 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@]3(CC[N@@H+](C[C@H](C)O)C3)C2)CC1 ZINC001041844999 782325756 /nfs/dbraw/zinc/32/57/56/782325756.db2.gz RHFVXACGFSJNQM-LPHOPBHVSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@]3(CC[N@H+](C[C@H](C)O)C3)C2)CC1 ZINC001041844999 782325766 /nfs/dbraw/zinc/32/57/66/782325766.db2.gz RHFVXACGFSJNQM-LPHOPBHVSA-N 1 1 333.476 0.637 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCC3)C2)cc1 ZINC000970253597 733257261 /nfs/dbraw/zinc/25/72/61/733257261.db2.gz MRQSJLNXIMHBFQ-CQSZACIVSA-N 1 1 325.412 0.950 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000970242125 733258227 /nfs/dbraw/zinc/25/82/27/733258227.db2.gz STJLGJSRHKTNNN-INWMFGNUSA-N 1 1 346.435 0.680 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3c[nH]nc3C)C2)C1=O ZINC000970243311 733259627 /nfs/dbraw/zinc/25/96/27/733259627.db2.gz BFDHXKPOLNKXHD-ABAIWWIYSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3c(C)cnn3C)C2)C1=O ZINC000970296320 733327870 /nfs/dbraw/zinc/32/78/70/733327870.db2.gz RYPVNRBQTXOSOQ-ZFWWWQNUSA-N 1 1 345.447 0.566 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104252977 733367138 /nfs/dbraw/zinc/36/71/38/733367138.db2.gz AVKZWVILINHBTO-KBPBESRZSA-N 1 1 326.404 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104252977 733367143 /nfs/dbraw/zinc/36/71/43/733367143.db2.gz AVKZWVILINHBTO-KBPBESRZSA-N 1 1 326.404 0.032 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC000970401675 733473141 /nfs/dbraw/zinc/47/31/41/733473141.db2.gz QQUHIZYUQDTABI-SUMWQHHRSA-N 1 1 340.427 0.734 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970431849 733514493 /nfs/dbraw/zinc/51/44/93/733514493.db2.gz RNDUWCMYVKDBFP-JLZZUVOBSA-N 1 1 343.402 0.735 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000970521816 733642343 /nfs/dbraw/zinc/64/23/43/733642343.db2.gz WOSFBKCRNCZABJ-CABCVRRESA-N 1 1 330.363 0.666 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)C(N)=O)C2)cc1 ZINC000970538065 733656655 /nfs/dbraw/zinc/65/66/55/733656655.db2.gz KKDBVEUYOWBHHQ-OLZOCXBDSA-N 1 1 329.400 0.623 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@H](CC)C(N)=O)C2)nn1 ZINC000970562193 733677226 /nfs/dbraw/zinc/67/72/26/733677226.db2.gz HCQWGOSKFZATKR-SMDDNHRTSA-N 1 1 334.424 0.168 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000973104288 738747849 /nfs/dbraw/zinc/74/78/49/738747849.db2.gz FARCTMYYEFWRGZ-GVRJEKJASA-N 1 1 335.448 0.825 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)C1 ZINC000970645024 733776308 /nfs/dbraw/zinc/77/63/08/733776308.db2.gz BWGWBPBGKHJZNY-CFVMTHIKSA-N 1 1 335.448 0.372 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC000970648536 733780142 /nfs/dbraw/zinc/78/01/42/733780142.db2.gz GZVXXPHFUHAYKO-KFWWJZLASA-N 1 1 337.464 0.618 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2cc(Cn3cccn3)on2)C1 ZINC000970716045 733865332 /nfs/dbraw/zinc/86/53/32/733865332.db2.gz MBOPBTUYPNJKPS-ZDUSSCGKSA-N 1 1 327.388 0.993 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC000970767002 733924933 /nfs/dbraw/zinc/92/49/33/733924933.db2.gz OEOMEIQDVRBAQM-DYVFJYSZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC000970767036 733925045 /nfs/dbraw/zinc/92/50/45/733925045.db2.gz OUYQXPGAMQHYOL-BLLLJJGKSA-N 1 1 326.400 0.344 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CC[C@H]3CCOC3)C2)CC1 ZINC000970792429 733943770 /nfs/dbraw/zinc/94/37/70/733943770.db2.gz KKLSCRAJLXIYDM-FUHWJXTLSA-N 1 1 333.476 0.949 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC001098543492 734032120 /nfs/dbraw/zinc/03/21/20/734032120.db2.gz JWLRBLKERVRKEM-UHFFFAOYSA-N 1 1 345.443 0.888 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)C[C@@H](NC(=O)C(N)=O)c1ccccc1O2 ZINC001098544372 734094181 /nfs/dbraw/zinc/09/41/81/734094181.db2.gz KPEOEZMSEVNFDH-RDTXWAMCSA-N 1 1 327.384 0.580 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)C3CCOCC3)C2)C1=O ZINC000970954308 734118647 /nfs/dbraw/zinc/11/86/47/734118647.db2.gz LNZLUQMIEZODFW-JKSUJKDBSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCn1cc(C(=O)NCCC2(C[NH2+]Cc3nc(C)no3)CC2)nn1 ZINC001167411760 734174326 /nfs/dbraw/zinc/17/43/26/734174326.db2.gz UDJUXHHMRHTCHE-UHFFFAOYSA-N 1 1 345.407 0.845 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ccc(C)cc3=O)[C@H]2C1 ZINC001083210330 734185425 /nfs/dbraw/zinc/18/54/25/734185425.db2.gz WGHNAOXEQPKSMW-JKSUJKDBSA-N 1 1 329.400 0.092 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccc(C)cc3=O)[C@H]2C1 ZINC001083210330 734185428 /nfs/dbraw/zinc/18/54/28/734185428.db2.gz WGHNAOXEQPKSMW-JKSUJKDBSA-N 1 1 329.400 0.092 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044973 734205903 /nfs/dbraw/zinc/20/59/03/734205903.db2.gz KWTCVSULDREXQS-LLVKDONJSA-N 1 1 331.405 0.339 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044951 734206009 /nfs/dbraw/zinc/20/60/09/734206009.db2.gz KPVAJMQYFCLJBH-AWEZNQCLSA-N 1 1 343.366 0.417 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(c3ccc(C#N)cn3)CCO2)C1 ZINC001104321658 734296232 /nfs/dbraw/zinc/29/62/32/734296232.db2.gz LFSJDKVMZHOOCB-GDBMZVCRSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC001098548443 734334224 /nfs/dbraw/zinc/33/42/24/734334224.db2.gz SNYNMFJBJPJHAB-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971204576 734357762 /nfs/dbraw/zinc/35/77/62/734357762.db2.gz MWOONYNLIYRBSR-JKSUJKDBSA-N 1 1 326.400 0.870 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971204576 734357765 /nfs/dbraw/zinc/35/77/65/734357765.db2.gz MWOONYNLIYRBSR-JKSUJKDBSA-N 1 1 326.400 0.870 20 30 ECEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971237714 734386082 /nfs/dbraw/zinc/38/60/82/734386082.db2.gz AXSPTELUPAAXGB-CQSZACIVSA-N 1 1 330.388 0.497 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ocnc3C)C2)C1=O ZINC000971286352 734421876 /nfs/dbraw/zinc/42/18/76/734421876.db2.gz XEOBLZOYIRSESO-ZIAGYGMSSA-N 1 1 332.404 0.916 20 30 ECEDMO CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000971289472 734422876 /nfs/dbraw/zinc/42/28/76/734422876.db2.gz SOZSVPXNELGLAA-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4cccnn43)[C@H]2C1 ZINC001083215731 734444312 /nfs/dbraw/zinc/44/43/12/734444312.db2.gz PCQNABPXUFUZQV-LSDHHAIUSA-N 1 1 327.388 0.831 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4cccnn43)[C@H]2C1 ZINC001083215731 734444315 /nfs/dbraw/zinc/44/43/15/734444315.db2.gz PCQNABPXUFUZQV-LSDHHAIUSA-N 1 1 327.388 0.831 20 30 ECEDMO CCc1nc[nH]c1C(=O)N1CCC([N@H+](CC#CCOC)CCO)CC1 ZINC001098550242 734445189 /nfs/dbraw/zinc/44/51/89/734445189.db2.gz CNJVWBRIFQXZDV-UHFFFAOYSA-N 1 1 348.447 0.521 20 30 ECEDMO CN1CCC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000971363692 734476073 /nfs/dbraw/zinc/47/60/73/734476073.db2.gz CHOFHSVKCGFXTR-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000971377364 734485758 /nfs/dbraw/zinc/48/57/58/734485758.db2.gz YKJRSXHGZWZYER-INIZCTEOSA-N 1 1 341.419 0.941 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000971380745 734490825 /nfs/dbraw/zinc/49/08/25/734490825.db2.gz UWSRYEYCKRMYNG-CZUORRHYSA-N 1 1 348.472 0.983 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cc(OC)no3)C2)C1=O ZINC000971380312 734493152 /nfs/dbraw/zinc/49/31/52/734493152.db2.gz HHTKZWRRZTWLRX-OLZOCXBDSA-N 1 1 348.403 0.616 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104350479 734527547 /nfs/dbraw/zinc/52/75/47/734527547.db2.gz XXHZZKUQFBOOLJ-GDBMZVCRSA-N 1 1 343.431 0.759 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104350545 734528057 /nfs/dbraw/zinc/52/80/57/734528057.db2.gz ZILBAWPSFOOCCP-PBHICJAKSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)cc1 ZINC001083217241 734535204 /nfs/dbraw/zinc/53/52/04/734535204.db2.gz OZSIZPIPMFYJEO-DLBZAZTESA-N 1 1 330.384 0.216 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)cc1 ZINC001083217241 734535206 /nfs/dbraw/zinc/53/52/06/734535206.db2.gz OZSIZPIPMFYJEO-DLBZAZTESA-N 1 1 330.384 0.216 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]2O)C1 ZINC001078174344 782429127 /nfs/dbraw/zinc/42/91/27/782429127.db2.gz IVVGPAHOABJCPS-DJIMGWMZSA-N 1 1 346.406 0.310 20 30 ECEDMO C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971507524 734697751 /nfs/dbraw/zinc/69/77/51/734697751.db2.gz JFQUIFBKUARQMA-CVEARBPZSA-N 1 1 338.473 0.757 20 30 ECEDMO CC(C)N(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125527962 734805084 /nfs/dbraw/zinc/80/50/84/734805084.db2.gz PQNMDVYGCHPWDJ-CQSZACIVSA-N 1 1 330.436 0.973 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001149167974 734862487 /nfs/dbraw/zinc/86/24/87/734862487.db2.gz LVPHULISKMIJPX-MRXNPFEDSA-N 1 1 333.432 0.804 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001149167974 734862490 /nfs/dbraw/zinc/86/24/90/734862490.db2.gz LVPHULISKMIJPX-MRXNPFEDSA-N 1 1 333.432 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cn(CC)nn2)C1 ZINC000971703302 734964414 /nfs/dbraw/zinc/96/44/14/734964414.db2.gz CQSRGAPOKVGFJW-SJORKVTESA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cn(CC)nn2)C1 ZINC000971703302 734964418 /nfs/dbraw/zinc/96/44/18/734964418.db2.gz CQSRGAPOKVGFJW-SJORKVTESA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cnn(CC)n2)C1 ZINC000971704322 734965979 /nfs/dbraw/zinc/96/59/79/734965979.db2.gz RYFQZABEVYDZCQ-IRXDYDNUSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cnn(CC)n2)C1 ZINC000971704322 734965983 /nfs/dbraw/zinc/96/59/83/734965983.db2.gz RYFQZABEVYDZCQ-IRXDYDNUSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cnsn2)C1 ZINC000971704756 734966161 /nfs/dbraw/zinc/96/61/61/734966161.db2.gz WFDVOLBUGUJJEC-CABCVRRESA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cnsn2)C1 ZINC000971704756 734966164 /nfs/dbraw/zinc/96/61/64/734966164.db2.gz WFDVOLBUGUJJEC-CABCVRRESA-N 1 1 333.461 0.668 20 30 ECEDMO CN1C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)NC1=O ZINC000972087175 735626623 /nfs/dbraw/zinc/62/66/23/735626623.db2.gz QKBAHSIJAUHENW-HZPDHXFCSA-N 1 1 341.415 0.615 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CNC(=O)[C@H](C)CC)CC1 ZINC001098563948 735662715 /nfs/dbraw/zinc/66/27/15/735662715.db2.gz FXNBKRLTXFFWFP-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3ccnc4c3nnn4C)C2)C1 ZINC000981965037 751363975 /nfs/dbraw/zinc/36/39/75/751363975.db2.gz SGLXUUWJMQRTJV-UHFFFAOYSA-N 1 1 338.415 0.925 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC001098566525 735828506 /nfs/dbraw/zinc/82/85/06/735828506.db2.gz ACKUCLXRQWFOIV-HNNXBMFYSA-N 1 1 344.477 0.425 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC001098566708 735855775 /nfs/dbraw/zinc/85/57/75/735855775.db2.gz JRTWOXVXZJFXJW-HNNXBMFYSA-N 1 1 344.459 0.823 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@H+](CCc1cnn(C)c1)CCO2 ZINC000972297409 735906521 /nfs/dbraw/zinc/90/65/21/735906521.db2.gz IUYCLYDQZOYTKL-PBHICJAKSA-N 1 1 331.420 0.426 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCc1cnn(C)c1)CCO2 ZINC000972297409 735906522 /nfs/dbraw/zinc/90/65/22/735906522.db2.gz IUYCLYDQZOYTKL-PBHICJAKSA-N 1 1 331.420 0.426 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC000972316532 735935070 /nfs/dbraw/zinc/93/50/70/735935070.db2.gz GBINCELORCVGFV-XHSDSOJGSA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(Cl)CN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972317444 735936955 /nfs/dbraw/zinc/93/69/55/735936955.db2.gz VPNMVQFBRWLFJU-GDBMZVCRSA-N 1 1 343.855 0.373 20 30 ECEDMO C=C(Cl)CN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972317444 735936959 /nfs/dbraw/zinc/93/69/59/735936959.db2.gz VPNMVQFBRWLFJU-GDBMZVCRSA-N 1 1 343.855 0.373 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(CCOC)nn3)C2)C1 ZINC000972374295 736033315 /nfs/dbraw/zinc/03/33/15/736033315.db2.gz PQYZXJVHFPLSFC-QGZVFWFLSA-N 1 1 349.435 0.418 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(CCOC)nn3)C2)C1 ZINC000972374295 736033322 /nfs/dbraw/zinc/03/33/22/736033322.db2.gz PQYZXJVHFPLSFC-QGZVFWFLSA-N 1 1 349.435 0.418 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](C)Nc1ccnc(C#N)n1)CC2 ZINC001098220475 736080614 /nfs/dbraw/zinc/08/06/14/736080614.db2.gz KEPCULHDGAQLTF-AAEUAGOBSA-N 1 1 339.403 0.454 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001078219602 782510995 /nfs/dbraw/zinc/51/09/95/782510995.db2.gz HXTVDKBNRSLCIK-OWCLPIDISA-N 1 1 337.464 0.905 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001078219988 782512802 /nfs/dbraw/zinc/51/28/02/782512802.db2.gz UTXLULBILXQRTF-BZUAXINKSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972430149 736182837 /nfs/dbraw/zinc/18/28/37/736182837.db2.gz AUBNTEDQPWOFEX-MSOLQXFVSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972430149 736182840 /nfs/dbraw/zinc/18/28/40/736182840.db2.gz AUBNTEDQPWOFEX-MSOLQXFVSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 ZINC000972440098 736198449 /nfs/dbraw/zinc/19/84/49/736198449.db2.gz ZQTQSGYCMZWFMN-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972440880 736199733 /nfs/dbraw/zinc/19/97/33/736199733.db2.gz LTJIQHOWGBUTJC-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972440880 736199737 /nfs/dbraw/zinc/19/97/37/736199737.db2.gz LTJIQHOWGBUTJC-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 ZINC000972445784 736215748 /nfs/dbraw/zinc/21/57/48/736215748.db2.gz DWMQQZPBLYNMHM-GOSISDBHSA-N 1 1 335.448 0.878 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 ZINC000972461346 736257007 /nfs/dbraw/zinc/25/70/07/736257007.db2.gz QRFSMBZIDDUJNM-KRWDZBQOSA-N 1 1 334.420 0.922 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3nc(C)no3)C2)C1 ZINC000972482960 736314869 /nfs/dbraw/zinc/31/48/69/736314869.db2.gz DYBSMMVWEUKZLU-KRWDZBQOSA-N 1 1 332.404 0.637 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3nc(C)no3)C2)C1 ZINC000972482960 736314871 /nfs/dbraw/zinc/31/48/71/736314871.db2.gz DYBSMMVWEUKZLU-KRWDZBQOSA-N 1 1 332.404 0.637 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cnn(C)c3)C2)nn1 ZINC000972502854 736433956 /nfs/dbraw/zinc/43/39/56/736433956.db2.gz YVWWVHIISXHYOD-AWEZNQCLSA-N 1 1 329.408 0.544 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 ZINC001098575154 736488287 /nfs/dbraw/zinc/48/82/87/736488287.db2.gz DZAPQJFSYIAHST-UHFFFAOYSA-N 1 1 349.456 0.769 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513041 736505075 /nfs/dbraw/zinc/50/50/75/736505075.db2.gz DCCBORFWZQHXDR-QZTJIDSGSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513041 736505078 /nfs/dbraw/zinc/50/50/78/736505078.db2.gz DCCBORFWZQHXDR-QZTJIDSGSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972516523 736525237 /nfs/dbraw/zinc/52/52/37/736525237.db2.gz AGLSOSAJIXLKBX-AEFFLSMTSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972516523 736525239 /nfs/dbraw/zinc/52/52/39/736525239.db2.gz AGLSOSAJIXLKBX-AEFFLSMTSA-N 1 1 335.448 0.032 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CN(CC#N)CCO3)C1 ZINC000972516582 736525686 /nfs/dbraw/zinc/52/56/86/736525686.db2.gz APLDCRBXIIPTQM-WMZOPIPTSA-N 1 1 334.464 0.935 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@@H+](C)CCn3cncn3)C2)nn1 ZINC000972517267 736528980 /nfs/dbraw/zinc/52/89/80/736528980.db2.gz PBPSOFYUARPZEF-AWEZNQCLSA-N 1 1 344.423 0.292 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccon3)C2)C1=O ZINC001023248516 736615712 /nfs/dbraw/zinc/61/57/12/736615712.db2.gz KODYQWDIWKPPQR-ZFWWWQNUSA-N 1 1 332.404 0.903 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cocn3)C2)C1=O ZINC001023275081 736640229 /nfs/dbraw/zinc/64/02/29/736640229.db2.gz GBNHIEWRNIPWNZ-HIFRSBDPSA-N 1 1 332.404 0.903 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 ZINC000972546381 736662037 /nfs/dbraw/zinc/66/20/37/736662037.db2.gz OBWCWVUOGHNKHJ-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)[nH]1 ZINC001023319359 736679417 /nfs/dbraw/zinc/67/94/17/736679417.db2.gz ZTUVVMOIQRJTOQ-DOMZBBRYSA-N 1 1 329.404 0.607 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cncnc3)C2)C1=O ZINC001023325550 736686244 /nfs/dbraw/zinc/68/62/44/736686244.db2.gz JFNUZHNXVSBULY-HOCLYGCPSA-N 1 1 343.431 0.705 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972553095 736719212 /nfs/dbraw/zinc/71/92/12/736719212.db2.gz YUOPFMUWPLIXCA-VKJFTORMSA-N 1 1 335.448 0.590 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972553095 736719219 /nfs/dbraw/zinc/71/92/19/736719219.db2.gz YUOPFMUWPLIXCA-VKJFTORMSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 ZINC000972553731 736719786 /nfs/dbraw/zinc/71/97/86/736719786.db2.gz JJOJGBGLQOUXCM-QGZVFWFLSA-N 1 1 331.420 0.074 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 ZINC000972553731 736719789 /nfs/dbraw/zinc/71/97/89/736719789.db2.gz JJOJGBGLQOUXCM-QGZVFWFLSA-N 1 1 331.420 0.074 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3n[nH]cc3C)C2)C1=O ZINC001023358785 736733440 /nfs/dbraw/zinc/73/34/40/736733440.db2.gz PGIOMOGAOXGDAE-HUUCEWRRSA-N 1 1 345.447 0.947 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023367382 736744443 /nfs/dbraw/zinc/74/44/43/736744443.db2.gz YXAUQKXPIWVXQI-UONOGXRCSA-N 1 1 331.420 0.777 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2cocn2)C1 ZINC001059847059 751377786 /nfs/dbraw/zinc/37/77/86/751377786.db2.gz LOIWPSZDRSMQRD-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2cocn2)C1 ZINC001059847059 751377791 /nfs/dbraw/zinc/37/77/91/751377791.db2.gz LOIWPSZDRSMQRD-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001028178362 751377845 /nfs/dbraw/zinc/37/78/45/751377845.db2.gz NNLYWHKOZXDYMR-ZDUSSCGKSA-N 1 1 334.420 0.244 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nnc(C)[nH]2)C1 ZINC001023423647 736805871 /nfs/dbraw/zinc/80/58/71/736805871.db2.gz BSIBWQBEHJPVBM-HOTGVXAUSA-N 1 1 344.463 0.539 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2csnn2)C1 ZINC001023423749 736806661 /nfs/dbraw/zinc/80/66/61/736806661.db2.gz FGNDUYYMEBVFKP-HOCLYGCPSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2csnn2)C1 ZINC001023423749 736806664 /nfs/dbraw/zinc/80/66/64/736806664.db2.gz FGNDUYYMEBVFKP-HOCLYGCPSA-N 1 1 347.488 0.964 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001023447174 736845781 /nfs/dbraw/zinc/84/57/81/736845781.db2.gz HZTFJIXENWYLIQ-LBPRGKRZSA-N 1 1 341.433 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001023448156 736851250 /nfs/dbraw/zinc/85/12/50/736851250.db2.gz HPUIVCZYZQOFJE-ZDUSSCGKSA-N 1 1 327.388 0.813 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cn[nH]n3)C2)C1=O ZINC001023461445 736866930 /nfs/dbraw/zinc/86/69/30/736866930.db2.gz WMBQUQZUXGBBCX-JSGCOSHPSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](CNC(=O)c3cnn[nH]3)C2)C1=O ZINC001023461445 736866934 /nfs/dbraw/zinc/86/69/34/736866934.db2.gz WMBQUQZUXGBBCX-JSGCOSHPSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnn[nH]3)C2)C1=O ZINC001023461445 736866940 /nfs/dbraw/zinc/86/69/40/736866940.db2.gz WMBQUQZUXGBBCX-JSGCOSHPSA-N 1 1 332.408 0.033 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC000972572346 736881740 /nfs/dbraw/zinc/88/17/40/736881740.db2.gz HKJOBDXQGYNMIN-INIZCTEOSA-N 1 1 336.823 0.863 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC000972572346 736881744 /nfs/dbraw/zinc/88/17/44/736881744.db2.gz HKJOBDXQGYNMIN-INIZCTEOSA-N 1 1 336.823 0.863 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nn(C)c3OC)C2)C1 ZINC000972578274 736914620 /nfs/dbraw/zinc/91/46/20/736914620.db2.gz ROYGFYMIRWUXQG-SFHVURJKSA-N 1 1 346.431 0.677 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nn(C)c3OC)C2)C1 ZINC000972578274 736914622 /nfs/dbraw/zinc/91/46/22/736914622.db2.gz ROYGFYMIRWUXQG-SFHVURJKSA-N 1 1 346.431 0.677 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](CC(=C)C)CCO3)nn1 ZINC000972586553 736976700 /nfs/dbraw/zinc/97/67/00/736976700.db2.gz YYTLQUMTJJKPDY-KRWDZBQOSA-N 1 1 331.420 0.957 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CC(=C)C)CCO3)nn1 ZINC000972586553 736976701 /nfs/dbraw/zinc/97/67/01/736976701.db2.gz YYTLQUMTJJKPDY-KRWDZBQOSA-N 1 1 331.420 0.957 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001023565155 737011859 /nfs/dbraw/zinc/01/18/59/737011859.db2.gz ZFTDMWAMTCQAFU-MNOVXSKESA-N 1 1 345.241 0.405 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001023565155 737011862 /nfs/dbraw/zinc/01/18/62/737011862.db2.gz ZFTDMWAMTCQAFU-MNOVXSKESA-N 1 1 345.241 0.405 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001023583444 737039972 /nfs/dbraw/zinc/03/99/72/737039972.db2.gz HVNGSEFQCISFBY-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001023588929 737041499 /nfs/dbraw/zinc/04/14/99/737041499.db2.gz OFSJPNAWYBQJGP-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001023599942 737059027 /nfs/dbraw/zinc/05/90/27/737059027.db2.gz ZKSOTVHXDYPAIV-IMJJTQAJSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001023599942 737059028 /nfs/dbraw/zinc/05/90/28/737059028.db2.gz ZKSOTVHXDYPAIV-IMJJTQAJSA-N 1 1 333.436 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001023605866 737068446 /nfs/dbraw/zinc/06/84/46/737068446.db2.gz LNMMRSDXIAHOKE-HUUCEWRRSA-N 1 1 330.436 0.477 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)cc1F ZINC000981971907 751387169 /nfs/dbraw/zinc/38/71/69/751387169.db2.gz NCBUYHJDPYJRJC-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)cc1F ZINC000981971907 751387172 /nfs/dbraw/zinc/38/71/72/751387172.db2.gz NCBUYHJDPYJRJC-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001023634462 737119840 /nfs/dbraw/zinc/11/98/40/737119840.db2.gz IVIVAWNLPPPOAC-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001023634462 737119843 /nfs/dbraw/zinc/11/98/43/737119843.db2.gz IVIVAWNLPPPOAC-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001023637060 737123385 /nfs/dbraw/zinc/12/33/85/737123385.db2.gz CCZXHKQHBYXNEM-AWEZNQCLSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001023637664 737124504 /nfs/dbraw/zinc/12/45/04/737124504.db2.gz RESLEYVGPVQNBD-ZDUSSCGKSA-N 1 1 346.435 0.185 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628731 737153917 /nfs/dbraw/zinc/15/39/17/737153917.db2.gz VAPDKGVAQGEKFP-VQIMIIECSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628731 737153918 /nfs/dbraw/zinc/15/39/18/737153918.db2.gz VAPDKGVAQGEKFP-VQIMIIECSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972631992 737170889 /nfs/dbraw/zinc/17/08/89/737170889.db2.gz PGNSOYSRNGFNBR-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972631992 737170892 /nfs/dbraw/zinc/17/08/92/737170892.db2.gz PGNSOYSRNGFNBR-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)C1 ZINC000972639875 737199859 /nfs/dbraw/zinc/19/98/59/737199859.db2.gz CEMOEPATLBCYIX-KRWDZBQOSA-N 1 1 333.388 0.899 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)C1 ZINC000972639875 737199863 /nfs/dbraw/zinc/19/98/63/737199863.db2.gz CEMOEPATLBCYIX-KRWDZBQOSA-N 1 1 333.388 0.899 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)nc1 ZINC001023708495 737226898 /nfs/dbraw/zinc/22/68/98/737226898.db2.gz GRTZCECASGWDKC-HNNXBMFYSA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)nc1 ZINC001023709540 737227619 /nfs/dbraw/zinc/22/76/19/737227619.db2.gz VVILAXAFXJWHIQ-GOEBONIOSA-N 1 1 326.400 0.393 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001023730510 737254239 /nfs/dbraw/zinc/25/42/39/737254239.db2.gz YTSARYYUGAVKGI-LSDHHAIUSA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001023730510 737254243 /nfs/dbraw/zinc/25/42/43/737254243.db2.gz YTSARYYUGAVKGI-LSDHHAIUSA-N 1 1 343.855 0.814 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3oncc3C)C2)C1=O ZINC000972655848 737263474 /nfs/dbraw/zinc/26/34/74/737263474.db2.gz CORXAWPOPBZNJK-UONOGXRCSA-N 1 1 332.404 0.916 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]Cc2cc(=O)[nH]c(CNC(=O)C3CC3)n2)C1=O ZINC001087254240 737269460 /nfs/dbraw/zinc/26/94/60/737269460.db2.gz ZDWNZVPVRJDGRC-ZDUSSCGKSA-N 1 1 345.403 0.085 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023753498 737299944 /nfs/dbraw/zinc/29/99/44/737299944.db2.gz HRQUAIQSSULWOM-KBPBESRZSA-N 1 1 329.466 0.473 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN([C@H]3CCNC3=O)C2)CC1 ZINC001023761921 737326749 /nfs/dbraw/zinc/32/67/49/737326749.db2.gz MQCSYELHCRKSGI-RDJZCZTQSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684862 737375432 /nfs/dbraw/zinc/37/54/32/737375432.db2.gz XWICOVOZJNTBDC-BEFAXECRSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684862 737375439 /nfs/dbraw/zinc/37/54/39/737375439.db2.gz XWICOVOZJNTBDC-BEFAXECRSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972688100 737380959 /nfs/dbraw/zinc/38/09/59/737380959.db2.gz MGEAJKGCITZEBW-APWZRJJASA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972688100 737380965 /nfs/dbraw/zinc/38/09/65/737380965.db2.gz MGEAJKGCITZEBW-APWZRJJASA-N 1 1 347.459 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC000972688803 737385771 /nfs/dbraw/zinc/38/57/71/737385771.db2.gz XBPLLDDOLQSYKB-CHWSQXEVSA-N 1 1 332.404 0.667 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001023969608 737562589 /nfs/dbraw/zinc/56/25/89/737562589.db2.gz RJASZVYWOPIUEJ-MWQQHZPXSA-N 1 1 349.475 0.761 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[NH2+]Cc2nncn2-c2ccccc2)[nH]1 ZINC001125776457 737574543 /nfs/dbraw/zinc/57/45/43/737574543.db2.gz OGPXQFFBNZHNDW-UHFFFAOYSA-N 1 1 335.371 0.987 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCC(=O)NC3=O)C2)nc1 ZINC000972754375 737595750 /nfs/dbraw/zinc/59/57/50/737595750.db2.gz XRWPBYQYIOFCBO-ZFWWWQNUSA-N 1 1 340.383 0.014 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3=COCCO3)C(C)(C)C2)C1=O ZINC000972783517 737662052 /nfs/dbraw/zinc/66/20/52/737662052.db2.gz QRHYSMCESYRQGQ-DZGCQCFKSA-N 1 1 349.431 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3=COCCO3)C(C)(C)C2)C1=O ZINC000972783517 737662054 /nfs/dbraw/zinc/66/20/54/737662054.db2.gz QRHYSMCESYRQGQ-DZGCQCFKSA-N 1 1 349.431 0.488 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 ZINC001098584493 737720523 /nfs/dbraw/zinc/72/05/23/737720523.db2.gz YLUHJDYROHWWRD-UHFFFAOYSA-N 1 1 346.431 0.656 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)NC(=O)C2CCC2)CC1 ZINC001098584513 737720855 /nfs/dbraw/zinc/72/08/55/737720855.db2.gz YXOSKEUUJQFOSK-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cnc(C)[nH]3)C(C)(C)C2)C1=O ZINC000972859169 737771654 /nfs/dbraw/zinc/77/16/54/737771654.db2.gz HOYZWHKOTQMRKD-GJZGRUSLSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cnc(C)[nH]3)C(C)(C)C2)C1=O ZINC000972859169 737771656 /nfs/dbraw/zinc/77/16/56/737771656.db2.gz HOYZWHKOTQMRKD-GJZGRUSLSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3ccnn3C)C(C)(C)C2)C1=O ZINC000972854714 737775876 /nfs/dbraw/zinc/77/58/76/737775876.db2.gz DGTIMKQYCPJSNT-CABCVRRESA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3ccnn3C)C(C)(C)C2)C1=O ZINC000972854714 737775877 /nfs/dbraw/zinc/77/58/77/737775877.db2.gz DGTIMKQYCPJSNT-CABCVRRESA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H](C[NH2+]Cc3cnsn3)C2)nn1 ZINC001024190362 737807898 /nfs/dbraw/zinc/80/78/98/737807898.db2.gz LORLDGHBOXFKOE-LBPRGKRZSA-N 1 1 347.448 0.958 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001024278030 737878284 /nfs/dbraw/zinc/87/82/84/737878284.db2.gz ZVLWWBJBBDUGNQ-DOTOQJQBSA-N 1 1 346.475 0.048 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)C2=COCCO2)C1=O ZINC001024316366 737897976 /nfs/dbraw/zinc/89/79/76/737897976.db2.gz OCBAYJNSFCTSAU-HUUCEWRRSA-N 1 1 349.431 0.632 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)C2=COCCO2)C1=O ZINC001024316366 737897980 /nfs/dbraw/zinc/89/79/80/737897980.db2.gz OCBAYJNSFCTSAU-HUUCEWRRSA-N 1 1 349.431 0.632 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2CCN2CCNC2=O)c1 ZINC001024380422 737936697 /nfs/dbraw/zinc/93/66/97/737936697.db2.gz LSWRPXUBXHZSTD-AWEZNQCLSA-N 1 1 344.419 0.496 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnnn2C)C1=O ZINC001024419514 737953125 /nfs/dbraw/zinc/95/31/25/737953125.db2.gz ZOFBQGMGFXJQSC-ZIAGYGMSSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnnn2C)C1=O ZINC001024419514 737953128 /nfs/dbraw/zinc/95/31/28/737953128.db2.gz ZOFBQGMGFXJQSC-ZIAGYGMSSA-N 1 1 346.435 0.186 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001024466567 737997533 /nfs/dbraw/zinc/99/75/33/737997533.db2.gz BULARUOISQUXGS-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001024507934 738037835 /nfs/dbraw/zinc/03/78/35/738037835.db2.gz BTAYURACHXNASA-HNNXBMFYSA-N 1 1 338.473 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001024507934 738037839 /nfs/dbraw/zinc/03/78/39/738037839.db2.gz BTAYURACHXNASA-HNNXBMFYSA-N 1 1 338.473 0.805 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1OCC(N)=O ZINC001024541234 738081774 /nfs/dbraw/zinc/08/17/74/738081774.db2.gz ZNJFNDMCEZYURV-AWEZNQCLSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1OCC(N)=O ZINC001024541234 738081780 /nfs/dbraw/zinc/08/17/80/738081780.db2.gz ZNJFNDMCEZYURV-AWEZNQCLSA-N 1 1 329.400 0.768 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCOCC1 ZINC001087282146 738097544 /nfs/dbraw/zinc/09/75/44/738097544.db2.gz SHIRNQOYCUWDAK-BPQIPLTHSA-N 1 1 333.476 0.947 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001024575123 738123652 /nfs/dbraw/zinc/12/36/52/738123652.db2.gz HTBVVKCPEUYWLA-CABCVRRESA-N 1 1 343.418 0.946 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CN3CCCCCC3=O)[C@H]2C1 ZINC001083269412 738160640 /nfs/dbraw/zinc/16/06/40/738160640.db2.gz BUSRUCXQUAHNAT-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO O=C(NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1)[C@H]1CNC(=O)N1 ZINC001024626037 738181902 /nfs/dbraw/zinc/18/19/02/738181902.db2.gz AUHUOOOBRYYGJX-IAGOWNOFSA-N 1 1 340.427 0.690 20 30 ECEDMO O=C(NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1)[C@H]1CNC(=O)N1 ZINC001024626037 738181904 /nfs/dbraw/zinc/18/19/04/738181904.db2.gz AUHUOOOBRYYGJX-IAGOWNOFSA-N 1 1 340.427 0.690 20 30 ECEDMO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001024690433 738222284 /nfs/dbraw/zinc/22/22/84/738222284.db2.gz VNZBYPMUBZQLAF-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001024690433 738222286 /nfs/dbraw/zinc/22/22/86/738222286.db2.gz VNZBYPMUBZQLAF-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N(C)C)nn1 ZINC001024699275 738229621 /nfs/dbraw/zinc/22/96/21/738229621.db2.gz PWDDRHVUCKLYLJ-CYBMUJFWSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N(C)C)nn1 ZINC001024699275 738229623 /nfs/dbraw/zinc/22/96/23/738229623.db2.gz PWDDRHVUCKLYLJ-CYBMUJFWSA-N 1 1 334.424 0.137 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001024700455 738229878 /nfs/dbraw/zinc/22/98/78/738229878.db2.gz BJOURWKVQCQGDA-FVRSWCFKSA-N 1 1 348.447 0.912 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001024704878 738231973 /nfs/dbraw/zinc/23/19/73/738231973.db2.gz SIQPTZHCFDPOEX-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087309042 738234751 /nfs/dbraw/zinc/23/47/51/738234751.db2.gz ZKCJZMMZIMLUPG-KCXAZCMYSA-N 1 1 346.431 0.167 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001024703516 738235472 /nfs/dbraw/zinc/23/54/72/738235472.db2.gz JPGPQBIRQYALKH-CKEIUWERSA-N 1 1 334.420 0.482 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC001087317385 738283997 /nfs/dbraw/zinc/28/39/97/738283997.db2.gz HJTUWNRSXAQFBD-BYCMXARLSA-N 1 1 346.435 0.168 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001024776573 738289239 /nfs/dbraw/zinc/28/92/39/738289239.db2.gz FMEYCMORVXTGER-RRFJBIMHSA-N 1 1 337.464 0.618 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025259474 738944867 /nfs/dbraw/zinc/94/48/67/738944867.db2.gz PSRZAIFUCCJDIW-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O ZINC001025283897 739009107 /nfs/dbraw/zinc/00/91/07/739009107.db2.gz CHGPNVXHNLGHGF-GJZGRUSLSA-N 1 1 348.447 0.960 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025295893 739015915 /nfs/dbraw/zinc/01/59/15/739015915.db2.gz HPGQLQAYEHYGOK-GJZGRUSLSA-N 1 1 348.447 0.960 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000973295475 739060288 /nfs/dbraw/zinc/06/02/88/739060288.db2.gz MEVPWJCJTLVOFF-QXKUPLGCSA-N 1 1 335.448 0.683 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000973295476 739060465 /nfs/dbraw/zinc/06/04/65/739060465.db2.gz MEVPWJCJTLVOFF-SUJAAXHWSA-N 1 1 335.448 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cccn2CC)C1 ZINC000973298001 739065266 /nfs/dbraw/zinc/06/52/66/739065266.db2.gz IJLRDDSWVDHLSV-ZOBUZTSGSA-N 1 1 342.443 0.983 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cccn2CC)C1 ZINC000973298001 739065267 /nfs/dbraw/zinc/06/52/67/739065267.db2.gz IJLRDDSWVDHLSV-ZOBUZTSGSA-N 1 1 342.443 0.983 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000987985322 751410640 /nfs/dbraw/zinc/41/06/40/751410640.db2.gz MZLYPHZEPAUAMB-HOTGVXAUSA-N 1 1 333.432 0.037 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000987985322 751410644 /nfs/dbraw/zinc/41/06/44/751410644.db2.gz MZLYPHZEPAUAMB-HOTGVXAUSA-N 1 1 333.432 0.037 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)C1CS(=O)(=O)C1)C[C@@H](C)O2 ZINC001098600070 739139507 /nfs/dbraw/zinc/13/95/07/739139507.db2.gz SYHQOGNUQKURRC-CYBMUJFWSA-N 1 1 342.461 0.299 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=C(C)OCCC2)C1 ZINC000973410355 739223221 /nfs/dbraw/zinc/22/32/21/739223221.db2.gz FXEMDBBFCGUIDV-ZOBUZTSGSA-N 1 1 345.443 0.932 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=C(C)OCCC2)C1 ZINC000973410355 739223225 /nfs/dbraw/zinc/22/32/25/739223225.db2.gz FXEMDBBFCGUIDV-ZOBUZTSGSA-N 1 1 345.443 0.932 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccnn2C)nn1 ZINC001028192281 751431572 /nfs/dbraw/zinc/43/15/72/751431572.db2.gz IQOKZOMHKGBGNH-CQSZACIVSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccnn2C)nn1 ZINC001028192281 751431579 /nfs/dbraw/zinc/43/15/79/751431579.db2.gz IQOKZOMHKGBGNH-CQSZACIVSA-N 1 1 343.435 0.982 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001025380743 739312093 /nfs/dbraw/zinc/31/20/93/739312093.db2.gz JMQLZJFOVPPIIR-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001078232347 782531028 /nfs/dbraw/zinc/53/10/28/782531028.db2.gz QWKYUFMHDNNREI-FRRDWIJNSA-N 1 1 335.370 0.751 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001058914939 751452030 /nfs/dbraw/zinc/45/20/30/751452030.db2.gz ABNTWZMDZOWELZ-UONOGXRCSA-N 1 1 328.420 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccnc3c2nnn3C)C1 ZINC001025517934 739683757 /nfs/dbraw/zinc/68/37/57/739683757.db2.gz CKTSNNVQKSXVKM-OLZOCXBDSA-N 1 1 326.404 0.827 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2O)C1 ZINC001025522514 739685173 /nfs/dbraw/zinc/68/51/73/739685173.db2.gz XONKFOOVRLZIHX-QLFBSQMISA-N 1 1 335.448 0.515 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3CN([C@@H](C)COC)C[C@@H]32)CC1 ZINC001083283687 739744164 /nfs/dbraw/zinc/74/41/64/739744164.db2.gz NUTIZWJIVFQCSR-RYQLBKOJSA-N 1 1 349.475 0.278 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3CN(CCCF)C[C@@H]32)CC1 ZINC001083283702 739744827 /nfs/dbraw/zinc/74/48/27/739744827.db2.gz ORVALZHHGQCESO-DLBZAZTESA-N 1 1 337.439 0.603 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC(=O)NC)C2)nc1 ZINC001025598291 739763285 /nfs/dbraw/zinc/76/32/85/739763285.db2.gz XZEATLDEECRCJH-HIFRSBDPSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001006531367 751486666 /nfs/dbraw/zinc/48/66/66/751486666.db2.gz WQFPEZBIFPOJPA-HIFRSBDPSA-N 1 1 340.427 0.591 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCCCO2)C1=O ZINC001025732251 739907550 /nfs/dbraw/zinc/90/75/50/739907550.db2.gz LMUWIXRLCXFVBM-RNGZQALNSA-N 1 1 347.459 0.779 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C)nn1 ZINC000988071067 751497575 /nfs/dbraw/zinc/49/75/75/751497575.db2.gz VVXCBURWCKUHOD-MCIONIFRSA-N 1 1 346.435 0.135 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4C[C@]45CCOC5)C[C@H]32)c[nH]1 ZINC001025745503 739913779 /nfs/dbraw/zinc/91/37/79/739913779.db2.gz POCUWLIHKIWHOC-VJHAZISPSA-N 1 1 326.400 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3nc(C)no3)C[C@H]21 ZINC001025814051 739996233 /nfs/dbraw/zinc/99/62/33/739996233.db2.gz JLDHGWVHYVAPMZ-VMMWWAARSA-N 1 1 343.431 0.583 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3nc(C)no3)C[C@H]21 ZINC001025814051 739996236 /nfs/dbraw/zinc/99/62/36/739996236.db2.gz JLDHGWVHYVAPMZ-VMMWWAARSA-N 1 1 343.431 0.583 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001149273022 740162984 /nfs/dbraw/zinc/16/29/84/740162984.db2.gz RPLSPPIYPYZUDJ-HNNXBMFYSA-N 1 1 334.420 0.199 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001149273022 740162986 /nfs/dbraw/zinc/16/29/86/740162986.db2.gz RPLSPPIYPYZUDJ-HNNXBMFYSA-N 1 1 334.420 0.199 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001068463471 790318367 /nfs/dbraw/zinc/31/83/67/790318367.db2.gz HOPLKECOWOPZRF-HOTGVXAUSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083287839 740294647 /nfs/dbraw/zinc/29/46/47/740294647.db2.gz AVBRTWPERMXUNO-DLBZAZTESA-N 1 1 341.411 0.263 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)c1 ZINC001087389022 740317140 /nfs/dbraw/zinc/31/71/40/740317140.db2.gz CWYLYCAJXOVQLV-RANZSIQMSA-N 1 1 325.412 0.838 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnn4)c3)[C@H]2C1 ZINC001083292061 740553055 /nfs/dbraw/zinc/55/30/55/740553055.db2.gz MRHSWTIMRWVGMU-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnn4)c3)[C@H]2C1 ZINC001083292061 740553058 /nfs/dbraw/zinc/55/30/58/740553058.db2.gz MRHSWTIMRWVGMU-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]23)n1 ZINC001026241819 740557118 /nfs/dbraw/zinc/55/71/18/740557118.db2.gz ARVBPXPFVNARID-RAIGVLPGSA-N 1 1 340.391 0.050 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCCNC2=O)c1 ZINC001038361414 740723823 /nfs/dbraw/zinc/72/38/23/740723823.db2.gz RQQZKMDYRMDXFW-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCCNC2=O)c1 ZINC001038361414 740723827 /nfs/dbraw/zinc/72/38/27/740723827.db2.gz RQQZKMDYRMDXFW-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973994177 740741664 /nfs/dbraw/zinc/74/16/64/740741664.db2.gz FYZRMJQDMJUEQQ-SCUASFONSA-N 1 1 329.404 0.461 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nccc(C)n2)C1 ZINC000974076281 740894377 /nfs/dbraw/zinc/89/43/77/740894377.db2.gz HJADRSAZICKRTA-ZNMIVQPWSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nccc(C)n2)C1 ZINC000974076281 740894383 /nfs/dbraw/zinc/89/43/83/740894383.db2.gz HJADRSAZICKRTA-ZNMIVQPWSA-N 1 1 341.415 0.260 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC000982103376 751592320 /nfs/dbraw/zinc/59/23/20/751592320.db2.gz QIDKVWJQCIJJJL-UHFFFAOYSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cc(C)n(C)n1 ZINC001038365899 741030485 /nfs/dbraw/zinc/03/04/85/741030485.db2.gz DBBVDOHWPYBSSR-SJORKVTESA-N 1 1 329.448 0.517 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cc(C)n(C)n1 ZINC001038365899 741030489 /nfs/dbraw/zinc/03/04/89/741030489.db2.gz DBBVDOHWPYBSSR-SJORKVTESA-N 1 1 329.448 0.517 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@H]1C(F)(F)F ZINC001112067147 741038031 /nfs/dbraw/zinc/03/80/31/741038031.db2.gz WGQOCDKVHIPBJD-NXEZZACHSA-N 1 1 344.293 0.017 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3ccnc4nc(C)nn43)C2)C1 ZINC000982114021 751607072 /nfs/dbraw/zinc/60/70/72/751607072.db2.gz UZDIHOWGWZTCMH-UHFFFAOYSA-N 1 1 338.415 0.994 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c(C)cnn2C)C1 ZINC000974263012 741192788 /nfs/dbraw/zinc/19/27/88/741192788.db2.gz JNBVBKQPALESMU-ZNMIVQPWSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c(C)cnn2C)C1 ZINC000974263012 741192789 /nfs/dbraw/zinc/19/27/89/741192789.db2.gz JNBVBKQPALESMU-ZNMIVQPWSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CC2=CCOCC2)C1 ZINC000974263093 741193457 /nfs/dbraw/zinc/19/34/57/741193457.db2.gz NFVONVHSUZPZEL-BBWFWOEESA-N 1 1 345.443 0.584 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CC2=CCOCC2)C1 ZINC000974263093 741193458 /nfs/dbraw/zinc/19/34/58/741193458.db2.gz NFVONVHSUZPZEL-BBWFWOEESA-N 1 1 345.443 0.584 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC000974265547 741197542 /nfs/dbraw/zinc/19/75/42/741197542.db2.gz OBTQIOQLUVUIPF-BBWFWOEESA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC000974265547 741197544 /nfs/dbraw/zinc/19/75/44/741197544.db2.gz OBTQIOQLUVUIPF-BBWFWOEESA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2(C)CCOCC2)C1 ZINC000974265488 741197552 /nfs/dbraw/zinc/19/75/52/741197552.db2.gz NGASTBXIDCTGFO-XHSDSOJGSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2(C)CCOCC2)C1 ZINC000974265488 741197554 /nfs/dbraw/zinc/19/75/54/741197554.db2.gz NGASTBXIDCTGFO-XHSDSOJGSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC000982126155 751621541 /nfs/dbraw/zinc/62/15/41/751621541.db2.gz KLTDAVARVOTWOA-UHFFFAOYSA-N 1 1 328.416 0.499 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(n2cc(C[NH2+]CCOC3CCC3)nn2)C1 ZINC001105190284 741453790 /nfs/dbraw/zinc/45/37/90/741453790.db2.gz VDVDTTDIVLESOP-LBPRGKRZSA-N 1 1 332.408 0.480 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3C)C2)nn1 ZINC001105197480 741459181 /nfs/dbraw/zinc/45/91/81/741459181.db2.gz VFUYQIMSQQXXOK-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO COC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001105207220 741473605 /nfs/dbraw/zinc/47/36/05/741473605.db2.gz JNEBEHXKEXIZBU-LLVKDONJSA-N 1 1 343.391 0.299 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC000982144421 751641979 /nfs/dbraw/zinc/64/19/79/751641979.db2.gz NUPWHNQGJKLFBK-UHFFFAOYSA-N 1 1 332.448 0.725 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240214 741531091 /nfs/dbraw/zinc/53/10/91/741531091.db2.gz CXTVCYCTHFVFEX-MRXNPFEDSA-N 1 1 332.452 0.810 20 30 ECEDMO O=C(C#CC1CC1)N1CC(n2cc(C[NH2+]CCOCC3CC3)nn2)C1 ZINC001105238332 741532835 /nfs/dbraw/zinc/53/28/35/741532835.db2.gz VYODOMKSAQJYBR-UHFFFAOYSA-N 1 1 343.431 0.591 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243210 741544373 /nfs/dbraw/zinc/54/43/73/741544373.db2.gz YYWJJUHYXVFZOP-CZUORRHYSA-N 1 1 332.452 0.667 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(C)nc3OC)C2)nn1 ZINC001105253769 741566974 /nfs/dbraw/zinc/56/69/74/741566974.db2.gz CNTAQHVBMVQYRD-UHFFFAOYSA-N 1 1 343.391 0.358 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCNC(=O)[C@H]3C[C@H]3C)C2)nn1 ZINC001105253763 741566998 /nfs/dbraw/zinc/56/69/98/741566998.db2.gz CJOUWFWHBPCMFB-DOMZBBRYSA-N 1 1 346.435 0.099 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)nn1 ZINC001105253802 741567539 /nfs/dbraw/zinc/56/75/39/741567539.db2.gz FDAFOFMUFGSDQU-CYBMUJFWSA-N 1 1 346.435 0.196 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCC(=O)NC3)C2)nn1 ZINC001105256439 741577139 /nfs/dbraw/zinc/57/71/39/741577139.db2.gz DTQZDKDJRHAUMY-CYBMUJFWSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCc4nccn43)C2)nn1 ZINC001105259530 741580932 /nfs/dbraw/zinc/58/09/32/741580932.db2.gz CAEOYOIKYIGQKF-OAHLLOKOSA-N 1 1 341.419 0.711 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@@H]3C(C)C)C2)nn1 ZINC001105259684 741581973 /nfs/dbraw/zinc/58/19/73/741581973.db2.gz IBHAUXMTPADJAW-JKSUJKDBSA-N 1 1 333.436 0.998 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000974405877 741585611 /nfs/dbraw/zinc/58/56/11/741585611.db2.gz QPHHEPAPNWAUSI-VZEFYGNVSA-N 1 1 340.427 0.638 20 30 ECEDMO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F ZINC001112097774 741694518 /nfs/dbraw/zinc/69/45/18/741694518.db2.gz LWOJSNGHECQMMJ-CHWSQXEVSA-N 1 1 345.365 0.903 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312255 741723387 /nfs/dbraw/zinc/72/33/87/741723387.db2.gz HIZAXVPXQZFHOJ-GJZGRUSLSA-N 1 1 344.463 0.505 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312255 741723388 /nfs/dbraw/zinc/72/33/88/741723388.db2.gz HIZAXVPXQZFHOJ-GJZGRUSLSA-N 1 1 344.463 0.505 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)c3cncnc3)C2)nn1 ZINC001105312478 741729841 /nfs/dbraw/zinc/72/98/41/741729841.db2.gz NZMNKAHPSPAEQW-ZDUSSCGKSA-N 1 1 341.419 0.921 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C3(c4cc(C)no4)CC3)C2)nn1 ZINC001105312558 741730530 /nfs/dbraw/zinc/73/05/30/741730530.db2.gz ROBOJYIRZRSVCY-UHFFFAOYSA-N 1 1 342.403 0.965 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001058729521 741733603 /nfs/dbraw/zinc/73/36/03/741733603.db2.gz MGFMPVNAAZRGIK-PBHICJAKSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001026744051 741751387 /nfs/dbraw/zinc/75/13/87/741751387.db2.gz CXGGGTPVVLWSRR-HIFRSBDPSA-N 1 1 331.420 0.177 20 30 ECEDMO C=CCCCC(=O)N1CC(n2cc(C[NH2+]C[C@H](O)COC)nn2)C1 ZINC001105317214 741751833 /nfs/dbraw/zinc/75/18/33/741751833.db2.gz NUSGLPXRXMLSNN-HNNXBMFYSA-N 1 1 337.424 0.115 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974473995 741781253 /nfs/dbraw/zinc/78/12/53/741781253.db2.gz WLHCPMCXLMTRID-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974473995 741781254 /nfs/dbraw/zinc/78/12/54/741781254.db2.gz WLHCPMCXLMTRID-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)CCNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327130 741812183 /nfs/dbraw/zinc/81/21/83/741812183.db2.gz TWUWLHPAPFNBFM-YOEHRIQHSA-N 1 1 346.479 0.915 20 30 ECEDMO C=C(C)CCNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327130 741812188 /nfs/dbraw/zinc/81/21/88/741812188.db2.gz TWUWLHPAPFNBFM-YOEHRIQHSA-N 1 1 346.479 0.915 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327197 741812859 /nfs/dbraw/zinc/81/28/59/741812859.db2.gz VWYRXPJKBGIKAC-CQSZACIVSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327197 741812862 /nfs/dbraw/zinc/81/28/62/741812862.db2.gz VWYRXPJKBGIKAC-CQSZACIVSA-N 1 1 330.436 0.259 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)cc1 ZINC001006685867 751671205 /nfs/dbraw/zinc/67/12/05/751671205.db2.gz QZBXXINSHFFAAT-HNNXBMFYSA-N 1 1 325.376 0.326 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3c(OC)ncnc3OC)C2)C1 ZINC000982171093 751672025 /nfs/dbraw/zinc/67/20/25/751672025.db2.gz VSISOSNLTOFALQ-UHFFFAOYSA-N 1 1 330.388 0.665 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H](C)O3)C2)nn1 ZINC001105332161 741843778 /nfs/dbraw/zinc/84/37/78/741843778.db2.gz ZGUOSCDZQCCBQE-CZUORRHYSA-N 1 1 349.435 0.521 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ncn(C)n3)C(C)(C)C2)C1=O ZINC000974561086 741892079 /nfs/dbraw/zinc/89/20/79/741892079.db2.gz NHYFXYSATDEFEI-QWHCGFSZSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ncn(C)n3)C(C)(C)C2)C1=O ZINC000974561086 741892084 /nfs/dbraw/zinc/89/20/84/741892084.db2.gz NHYFXYSATDEFEI-QWHCGFSZSA-N 1 1 346.435 0.042 20 30 ECEDMO CN(C)c1nc(C[NH2+]C[C@H]2CCN(C(=O)C#CC3CC3)C2)ns1 ZINC001026834674 741929710 /nfs/dbraw/zinc/92/97/10/741929710.db2.gz KJXUKLWOOBLKJB-CYBMUJFWSA-N 1 1 333.461 0.956 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974744004 742128961 /nfs/dbraw/zinc/12/89/61/742128961.db2.gz SMXVOKGNQMXDEI-QWHCGFSZSA-N 1 1 333.436 0.949 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC000982207561 751708339 /nfs/dbraw/zinc/70/83/39/751708339.db2.gz KDFIPNUYNBHDTG-UHFFFAOYSA-N 1 1 327.388 0.502 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC000982207561 751708343 /nfs/dbraw/zinc/70/83/43/751708343.db2.gz KDFIPNUYNBHDTG-UHFFFAOYSA-N 1 1 327.388 0.502 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000975067908 742470877 /nfs/dbraw/zinc/47/08/77/742470877.db2.gz ZVUIBCKTVQUTKK-KBPBESRZSA-N 1 1 330.436 0.476 20 30 ECEDMO N#Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)ccc1F ZINC001027160253 742831616 /nfs/dbraw/zinc/83/16/16/742831616.db2.gz AGZYONAHNFTWES-CYBMUJFWSA-N 1 1 342.378 0.996 20 30 ECEDMO N#Cc1ccc(N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001058927042 751767065 /nfs/dbraw/zinc/76/70/65/751767065.db2.gz ZGSJITDILPVGIC-INIZCTEOSA-N 1 1 329.404 0.688 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001028939602 742933634 /nfs/dbraw/zinc/93/36/34/742933634.db2.gz QFCVGPYYKRQXDZ-GFCCVEGCSA-N 1 1 325.368 0.645 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([NH2+]Cc3nnc(CC)o3)CC2)nn1 ZINC000997075237 743200169 /nfs/dbraw/zinc/20/01/69/743200169.db2.gz QLXFYGWWBXCWNA-UHFFFAOYSA-N 1 1 345.407 0.804 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC000997080383 743206212 /nfs/dbraw/zinc/20/62/12/743206212.db2.gz OSXWYASIVHKYDE-ZFWWWQNUSA-N 1 1 334.424 0.272 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C3CC3)C2)c1 ZINC001020567624 751802431 /nfs/dbraw/zinc/80/24/31/751802431.db2.gz KYUMKLXDQGEBEA-HDJSIYSDSA-N 1 1 337.387 0.435 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)cn1 ZINC000997103414 743240319 /nfs/dbraw/zinc/24/03/19/743240319.db2.gz IKMSXMMOFUTQMV-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000997213845 743357367 /nfs/dbraw/zinc/35/73/67/743357367.db2.gz KXDJUCACNBQRTM-UKRRQHHQSA-N 1 1 326.462 0.661 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)CCS(C)(=O)=O)C[C@]2(C)C1 ZINC001101280913 743514974 /nfs/dbraw/zinc/51/49/74/743514974.db2.gz DIPKJWDQYNIDFC-ZBFHGGJFSA-N 1 1 344.477 0.404 20 30 ECEDMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c1 ZINC001083405589 743593251 /nfs/dbraw/zinc/59/32/51/743593251.db2.gz QCGNYJBKYUJODI-ZBFHGGJFSA-N 1 1 325.372 0.267 20 30 ECEDMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c1 ZINC001083405589 743593261 /nfs/dbraw/zinc/59/32/61/743593261.db2.gz QCGNYJBKYUJODI-ZBFHGGJFSA-N 1 1 325.372 0.267 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cn[nH]c3)C2)C1=O ZINC001027315533 743644618 /nfs/dbraw/zinc/64/46/18/743644618.db2.gz YQTSSGMLGLHGOY-GJZGRUSLSA-N 1 1 331.420 0.733 20 30 ECEDMO C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000997613308 743709735 /nfs/dbraw/zinc/70/97/35/743709735.db2.gz IGWXYSRVOYQBDP-DZGCQCFKSA-N 1 1 326.462 0.804 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000976286365 743787734 /nfs/dbraw/zinc/78/77/34/743787734.db2.gz QFPJMIGINUGWST-NYXISSTPSA-N 1 1 347.459 0.635 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000976287593 743789124 /nfs/dbraw/zinc/78/91/24/743789124.db2.gz UVLIVOLMNAVLGU-XWTMOSNGSA-N 1 1 337.423 0.949 20 30 ECEDMO CN(C)c1noc(C[NH2+]CC2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC000997764654 743798743 /nfs/dbraw/zinc/79/87/43/743798743.db2.gz ROZUMSTXJFRRQT-UHFFFAOYSA-N 1 1 331.420 0.877 20 30 ECEDMO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344036 743826499 /nfs/dbraw/zinc/82/64/99/743826499.db2.gz MRXWPSQMRIREAZ-OAHLLOKOSA-N 1 1 332.379 0.996 20 30 ECEDMO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344036 743826503 /nfs/dbraw/zinc/82/65/03/743826503.db2.gz MRXWPSQMRIREAZ-OAHLLOKOSA-N 1 1 332.379 0.996 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976368418 743864141 /nfs/dbraw/zinc/86/41/41/743864141.db2.gz VDUIKWXBWAGIHY-VIKVFOODSA-N 1 1 338.371 0.278 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001027355005 743920239 /nfs/dbraw/zinc/92/02/39/743920239.db2.gz OPXZVVAVJVUDFB-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@@]2(C)C1 ZINC000982290426 751879547 /nfs/dbraw/zinc/87/95/47/751879547.db2.gz WLPBJGDFOBNIIF-LZQZEXGQSA-N 1 1 349.475 0.838 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000976517659 744030750 /nfs/dbraw/zinc/03/07/50/744030750.db2.gz ONPLLSFXSVERQU-HWWDLCQESA-N 1 1 340.427 0.993 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000998200776 744047329 /nfs/dbraw/zinc/04/73/29/744047329.db2.gz ULVDLBVVEAHPCQ-CYBMUJFWSA-N 1 1 334.424 0.266 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982291094 751885555 /nfs/dbraw/zinc/88/55/55/751885555.db2.gz DQDNFLSZGYSISO-XWIAVFTESA-N 1 1 333.432 0.880 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)CC(C)(C)O)C2)C1=O ZINC001027393341 744143775 /nfs/dbraw/zinc/14/37/75/744143775.db2.gz AHOJGQPOPZYJMA-GJZGRUSLSA-N 1 1 337.464 0.857 20 30 ECEDMO O=C(C#CC1CC1)N1CC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000998472333 744186290 /nfs/dbraw/zinc/18/62/90/744186290.db2.gz UKPYVYXNIGUGEY-UHFFFAOYSA-N 1 1 335.367 0.621 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001006848932 751898188 /nfs/dbraw/zinc/89/81/88/751898188.db2.gz ZZVDKIFRAIRUQX-HIFRSBDPSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001006848932 751898197 /nfs/dbraw/zinc/89/81/97/751898197.db2.gz ZZVDKIFRAIRUQX-HIFRSBDPSA-N 1 1 331.420 0.699 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412924 744241101 /nfs/dbraw/zinc/24/11/01/744241101.db2.gz XTIHCCWQOOHWMY-MRXNPFEDSA-N 1 1 339.403 0.668 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000976763889 744305263 /nfs/dbraw/zinc/30/52/63/744305263.db2.gz VSZHSZCCXCEOHT-GJGATLCTSA-N 1 1 341.455 0.990 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000976792687 744329764 /nfs/dbraw/zinc/32/97/64/744329764.db2.gz KSQZBCYSOLRXGZ-XUWVNRHRSA-N 1 1 341.415 0.557 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000998797191 744346775 /nfs/dbraw/zinc/34/67/75/744346775.db2.gz HKDUXVCNGHEXJN-CABCVRRESA-N 1 1 331.420 0.320 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1C ZINC000998954187 744426634 /nfs/dbraw/zinc/42/66/34/744426634.db2.gz DJWJOBMSGFCAFV-CYBMUJFWSA-N 1 1 341.419 0.972 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000998962021 744432807 /nfs/dbraw/zinc/43/28/07/744432807.db2.gz QHQUPLBDEKPELP-ZDUSSCGKSA-N 1 1 342.407 0.848 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC000976860799 744440923 /nfs/dbraw/zinc/44/09/23/744440923.db2.gz HEXZYNGQSHKGCW-ZYIUAKIQSA-N 1 1 341.415 0.415 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@H]32)nc1 ZINC000976917101 744476090 /nfs/dbraw/zinc/47/60/90/744476090.db2.gz VKYLAKWWWLCXDS-HWWDLCQESA-N 1 1 349.394 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2ncnn2C)C1 ZINC001027446633 744487199 /nfs/dbraw/zinc/48/71/99/744487199.db2.gz PSJXTCAVKIAMQL-HOTGVXAUSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2ncnn2C)C1 ZINC001027446633 744487203 /nfs/dbraw/zinc/48/72/03/744487203.db2.gz PSJXTCAVKIAMQL-HOTGVXAUSA-N 1 1 344.463 0.336 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]32)C1 ZINC000977020370 744573685 /nfs/dbraw/zinc/57/36/85/744573685.db2.gz IHOLTPCWICSRQZ-ZVDSWSACSA-N 1 1 332.448 0.841 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)C3=NC(=O)N(C)C3)C2)C1=O ZINC000999353005 744645969 /nfs/dbraw/zinc/64/59/69/744645969.db2.gz YDSBPTGZSFGUDO-BPCQOVAHSA-N 1 1 347.419 0.105 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(OC)cc2)C1 ZINC000999426977 744692926 /nfs/dbraw/zinc/69/29/26/744692926.db2.gz JOLHSVRUPCRSRN-KRWDZBQOSA-N 1 1 341.411 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(OC)cc2)C1 ZINC000999426977 744692927 /nfs/dbraw/zinc/69/29/27/744692927.db2.gz JOLHSVRUPCRSRN-KRWDZBQOSA-N 1 1 341.411 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]32)C1 ZINC000977154724 744722990 /nfs/dbraw/zinc/72/29/90/744722990.db2.gz BHUYZOWEROOOAU-LJIZCISZSA-N 1 1 347.459 0.635 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]32)C1 ZINC000977154724 744722992 /nfs/dbraw/zinc/72/29/92/744722992.db2.gz BHUYZOWEROOOAU-LJIZCISZSA-N 1 1 347.459 0.635 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000977206927 744768018 /nfs/dbraw/zinc/76/80/18/744768018.db2.gz HAFZNSUAUAILRP-DOCVPZNWSA-N 1 1 341.415 0.271 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)C1CCOCC1 ZINC000977280030 744832831 /nfs/dbraw/zinc/83/28/31/744832831.db2.gz XVGNGDXXGQSQMI-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)C1CCOCC1 ZINC000977280030 744832834 /nfs/dbraw/zinc/83/28/34/744832834.db2.gz XVGNGDXXGQSQMI-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519697 744940918 /nfs/dbraw/zinc/94/09/18/744940918.db2.gz SPFFSOTZLVNCBP-ZDUSSCGKSA-N 1 1 328.844 0.094 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519697 744940920 /nfs/dbraw/zinc/94/09/20/744940920.db2.gz SPFFSOTZLVNCBP-ZDUSSCGKSA-N 1 1 328.844 0.094 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977430820 744987800 /nfs/dbraw/zinc/98/78/00/744987800.db2.gz AHTLWTLCZFDTEB-HIFRSBDPSA-N 1 1 331.420 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)OC ZINC000983651592 744998421 /nfs/dbraw/zinc/99/84/21/744998421.db2.gz IVBNEGBIEQRCSO-QZWWFDLISA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)OC ZINC000983651592 744998424 /nfs/dbraw/zinc/99/84/24/744998424.db2.gz IVBNEGBIEQRCSO-QZWWFDLISA-N 1 1 349.475 0.862 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000977462636 745046396 /nfs/dbraw/zinc/04/63/96/745046396.db2.gz DJLOJLNQKLSCBJ-JTQLQIEISA-N 1 1 336.392 0.913 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000977464146 745049200 /nfs/dbraw/zinc/04/92/00/745049200.db2.gz FWXVYZINYFYPEY-CYBMUJFWSA-N 1 1 336.436 0.673 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC000977470828 745059949 /nfs/dbraw/zinc/05/99/49/745059949.db2.gz BRDZEAXBRGDHMC-LSDHHAIUSA-N 1 1 329.404 0.653 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)nc3C)nn2)C1 ZINC000999960144 745101303 /nfs/dbraw/zinc/10/13/03/745101303.db2.gz CCFDKSAZWMVVBR-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001059197529 745113955 /nfs/dbraw/zinc/11/39/55/745113955.db2.gz DHSIXYQKZISOKZ-KBPBESRZSA-N 1 1 338.477 0.692 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)CSCC#N)C2)C1 ZINC001059198278 745116038 /nfs/dbraw/zinc/11/60/38/745116038.db2.gz PIXVYVXICFFJDC-ZIAGYGMSSA-N 1 1 338.477 0.550 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC000999973294 745121833 /nfs/dbraw/zinc/12/18/33/745121833.db2.gz YQNNYCJBCZZBMM-AWEZNQCLSA-N 1 1 327.392 0.212 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC000999973869 745122868 /nfs/dbraw/zinc/12/28/68/745122868.db2.gz IFTHJEOGIFCCJV-INIZCTEOSA-N 1 1 337.387 0.678 20 30 ECEDMO N#Cc1cc(C(=O)NCc2cn([C@H]3CC[N@@H+](CCF)C3)nn2)c[nH]1 ZINC000999976867 745125539 /nfs/dbraw/zinc/12/55/39/745125539.db2.gz YBJMJWZIGBDTJA-AWEZNQCLSA-N 1 1 331.355 0.624 20 30 ECEDMO N#Cc1cc(C(=O)NCc2cn([C@H]3CC[N@H+](CCF)C3)nn2)c[nH]1 ZINC000999976867 745125545 /nfs/dbraw/zinc/12/55/45/745125545.db2.gz YBJMJWZIGBDTJA-AWEZNQCLSA-N 1 1 331.355 0.624 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)CC2(C)C)nc1 ZINC000977513246 745133068 /nfs/dbraw/zinc/13/30/68/745133068.db2.gz MWOVEAAOHHEJAM-OAHLLOKOSA-N 1 1 328.416 0.591 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)CC2(C)C)nc1 ZINC000977513246 745133070 /nfs/dbraw/zinc/13/30/70/745133070.db2.gz MWOVEAAOHHEJAM-OAHLLOKOSA-N 1 1 328.416 0.591 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)nn2)C1 ZINC000999987494 745142399 /nfs/dbraw/zinc/14/23/99/745142399.db2.gz OOHARJLOVQWSFJ-VHDGCEQUSA-N 1 1 346.435 0.242 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(CC)n3)nn2)C1 ZINC000999989235 745145976 /nfs/dbraw/zinc/14/59/76/745145976.db2.gz FHUMCIFBXZHFKH-AWEZNQCLSA-N 1 1 344.423 0.642 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnnn3CC)nn2)C1 ZINC000999990455 745147469 /nfs/dbraw/zinc/14/74/69/745147469.db2.gz KIPMJYUJUOWXOE-CQSZACIVSA-N 1 1 342.407 0.090 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)CC2(C)C)cn1 ZINC000977529416 745149700 /nfs/dbraw/zinc/14/97/00/745149700.db2.gz WRTRCWZGBIHOPV-OAHLLOKOSA-N 1 1 328.416 0.591 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)CC2(C)C)cn1 ZINC000977529416 745149704 /nfs/dbraw/zinc/14/97/04/745149704.db2.gz WRTRCWZGBIHOPV-OAHLLOKOSA-N 1 1 328.416 0.591 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]c(=O)[nH]c3C)nn2)C1 ZINC000999993860 745152072 /nfs/dbraw/zinc/15/20/72/745152072.db2.gz WKJOMKYHJDGRSE-CYBMUJFWSA-N 1 1 343.391 0.215 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cn[nH]c(=O)c3)nn2)C1 ZINC000999994453 745153154 /nfs/dbraw/zinc/15/31/54/745153154.db2.gz AYKNDWJZFARNTJ-AWEZNQCLSA-N 1 1 343.391 0.527 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3Cl)nn2)C1 ZINC000999995220 745153891 /nfs/dbraw/zinc/15/38/91/745153891.db2.gz FJCVJFAFXAXZJX-GFCCVEGCSA-N 1 1 347.810 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CC2(CC2)C1 ZINC001058785259 745155948 /nfs/dbraw/zinc/15/59/48/745155948.db2.gz UOCBVBVQSPCRIT-INIZCTEOSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CC2(CC2)C1 ZINC001058785259 745155955 /nfs/dbraw/zinc/15/59/55/745155955.db2.gz UOCBVBVQSPCRIT-INIZCTEOSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999996937 745156672 /nfs/dbraw/zinc/15/66/72/745156672.db2.gz KKDJGQJWFZANMX-DLBZAZTESA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999996937 745156677 /nfs/dbraw/zinc/15/66/77/745156677.db2.gz KKDJGQJWFZANMX-DLBZAZTESA-N 1 1 344.463 0.649 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)nn(C)c3C)nn2)C1 ZINC000999999811 745160916 /nfs/dbraw/zinc/16/09/16/745160916.db2.gz FTNGNAPXSREFSG-OAHLLOKOSA-N 1 1 343.435 0.991 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001000002111 745165342 /nfs/dbraw/zinc/16/53/42/745165342.db2.gz GWJRZCWSDXSGDR-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCN(C)C3=O)nn2)C1 ZINC001000008632 745175941 /nfs/dbraw/zinc/17/59/41/745175941.db2.gz JNKYPXHUQACZFR-GJZGRUSLSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)cnn3C)nn2)C1 ZINC001000011917 745181053 /nfs/dbraw/zinc/18/10/53/745181053.db2.gz BXXLGZZDGGIKAF-CQSZACIVSA-N 1 1 327.392 0.130 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(C)c3CC)nn2)C1 ZINC001000020238 745191310 /nfs/dbraw/zinc/19/13/10/745191310.db2.gz LFLQONVONYKXRF-HNNXBMFYSA-N 1 1 340.431 0.989 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nccc4[nH]ccc43)nn2)C1 ZINC001000024760 745196134 /nfs/dbraw/zinc/19/61/34/745196134.db2.gz MRGQTNAKNTXFJN-CQSZACIVSA-N 1 1 349.398 0.964 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)C1 ZINC001000032089 745206255 /nfs/dbraw/zinc/20/62/55/745206255.db2.gz POBHGYPREWMTSK-HZMVEIRTSA-N 1 1 343.431 0.732 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnon3)nn2)C1 ZINC001000036759 745213988 /nfs/dbraw/zinc/21/39/88/745213988.db2.gz PFRWKPWYDXNGEO-LLVKDONJSA-N 1 1 337.771 0.590 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnon3)nn2)C1 ZINC001000036759 745213992 /nfs/dbraw/zinc/21/39/92/745213992.db2.gz PFRWKPWYDXNGEO-LLVKDONJSA-N 1 1 337.771 0.590 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C2)nn1 ZINC001098697162 745216599 /nfs/dbraw/zinc/21/65/99/745216599.db2.gz CASISYIXCQZABC-GXTWGEPZSA-N 1 1 334.424 0.229 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]cnc3C)nn2)C1 ZINC001000042280 745222027 /nfs/dbraw/zinc/22/20/27/745222027.db2.gz LRMCMBRYFWGZTB-AWEZNQCLSA-N 1 1 327.392 0.510 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1ccc(C#N)[nH]1 ZINC000977591779 745223331 /nfs/dbraw/zinc/22/33/31/745223331.db2.gz HOBBZYNNDWGYEH-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CN(CC)CCO3)nn2)C1 ZINC001000042787 745223535 /nfs/dbraw/zinc/22/35/35/745223535.db2.gz HJEJOPYZIDCDSZ-JKSUJKDBSA-N 1 1 348.451 0.048 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000977609196 745264286 /nfs/dbraw/zinc/26/42/86/745264286.db2.gz XQHOJAXEQYGTIL-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C(C)(C)C1 ZINC000977621492 745307586 /nfs/dbraw/zinc/30/75/86/745307586.db2.gz BYMQEXFGQDIRCD-SJORKVTESA-N 1 1 333.476 0.947 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977732919 745429260 /nfs/dbraw/zinc/42/92/60/745429260.db2.gz LKKHMKHPMHXDOH-OCCSQVGLSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnccn4)[C@@H]3C2)C1=O ZINC000977727897 745445201 /nfs/dbraw/zinc/44/52/01/745445201.db2.gz IPIVNTZLYNTDRW-HGTKMLMNSA-N 1 1 341.415 0.171 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nncn3C)C2)nn1 ZINC001000425426 745490162 /nfs/dbraw/zinc/49/01/62/745490162.db2.gz HOSZYKMOCDEJAY-CYBMUJFWSA-N 1 1 344.423 0.377 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3C)C2)nn1 ZINC001000429591 745493077 /nfs/dbraw/zinc/49/30/77/745493077.db2.gz SBXSAKSPSWLMNY-ZDUSSCGKSA-N 1 1 344.423 0.377 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCN2CCCC2=O)[nH]1 ZINC001029275334 745501380 /nfs/dbraw/zinc/50/13/80/745501380.db2.gz ARURHNKBADEDCZ-GASCZTMLSA-N 1 1 341.415 0.798 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN2CCCC2=O)[nH]1 ZINC001029275334 745501383 /nfs/dbraw/zinc/50/13/83/745501383.db2.gz ARURHNKBADEDCZ-GASCZTMLSA-N 1 1 341.415 0.798 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC000977782521 745502643 /nfs/dbraw/zinc/50/26/43/745502643.db2.gz ZEDPUXHLHJYOBX-UONOGXRCSA-N 1 1 346.435 0.089 20 30 ECEDMO COCC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001105389053 745530759 /nfs/dbraw/zinc/53/07/59/745530759.db2.gz HTGPZMUWTSRKRM-SFHVURJKSA-N 1 1 347.459 0.605 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cc1 ZINC001083414293 745532652 /nfs/dbraw/zinc/53/26/52/745532652.db2.gz WANJVWXRHUWPPG-SJORKVTESA-N 1 1 340.383 0.870 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cc1 ZINC001083414293 745532656 /nfs/dbraw/zinc/53/26/56/745532656.db2.gz WANJVWXRHUWPPG-SJORKVTESA-N 1 1 340.383 0.870 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCO3)[C@@H]2C1 ZINC000977844369 745554723 /nfs/dbraw/zinc/55/47/23/745554723.db2.gz ZQNVTSLHTLJYBZ-FVCCEPFGSA-N 1 1 345.237 0.604 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@H+](CC(=O)NC3CC3)CC2)c1 ZINC001000564412 745599419 /nfs/dbraw/zinc/59/94/19/745599419.db2.gz RZRJAFOYCTUVDE-UHFFFAOYSA-N 1 1 327.388 0.527 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@@H+](CC(=O)NC3CC3)CC2)c1 ZINC001000564412 745599422 /nfs/dbraw/zinc/59/94/22/745599422.db2.gz RZRJAFOYCTUVDE-UHFFFAOYSA-N 1 1 327.388 0.527 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)nc1 ZINC001028269782 752020525 /nfs/dbraw/zinc/02/05/25/752020525.db2.gz VZQLALCQCKIGHL-ZFWWWQNUSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)nc1 ZINC001028269782 752020533 /nfs/dbraw/zinc/02/05/33/752020533.db2.gz VZQLALCQCKIGHL-ZFWWWQNUSA-N 1 1 340.383 0.062 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001000600183 745626243 /nfs/dbraw/zinc/62/62/43/745626243.db2.gz PSTBRJAQSCCGPZ-GFCCVEGCSA-N 1 1 329.404 0.725 20 30 ECEDMO CN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC001000600378 745626259 /nfs/dbraw/zinc/62/62/59/745626259.db2.gz WTQJDUYENACPRF-HNNXBMFYSA-N 1 1 327.388 0.479 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)C3=CCOCC3)CC2)C1=O ZINC001000605539 745629437 /nfs/dbraw/zinc/62/94/37/745629437.db2.gz AFWLKGSMZDSNRD-QGZVFWFLSA-N 1 1 345.443 0.868 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccncc1C#N ZINC001126517871 745641002 /nfs/dbraw/zinc/64/10/02/745641002.db2.gz LSEFXTFWGAYJSB-OAHLLOKOSA-N 1 1 345.447 0.864 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1C(F)(F)F ZINC001112159985 745643623 /nfs/dbraw/zinc/64/36/23/745643623.db2.gz KUZZSRYNKOGPTE-VXGBXAGGSA-N 1 1 345.365 0.905 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cncn1C ZINC000977919067 745646040 /nfs/dbraw/zinc/64/60/40/745646040.db2.gz MEZAUOGPNXLCSK-CABCVRRESA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cncn1C ZINC000977919067 745646044 /nfs/dbraw/zinc/64/60/44/745646044.db2.gz MEZAUOGPNXLCSK-CABCVRRESA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]nc1C ZINC000977921885 745651593 /nfs/dbraw/zinc/65/15/93/745651593.db2.gz VNFOEZLYTATTPH-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]nc1C ZINC000977921885 745651595 /nfs/dbraw/zinc/65/15/95/745651595.db2.gz VNFOEZLYTATTPH-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO O=C(NCC1=CC[N@H+](CC#Cc2ccccc2)CC1)[C@@H]1COC(=O)N1 ZINC001000640056 745655009 /nfs/dbraw/zinc/65/50/09/745655009.db2.gz OCBQWFIYFRBXQE-KRWDZBQOSA-N 1 1 339.395 0.895 20 30 ECEDMO O=C(NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1)[C@@H]1COC(=O)N1 ZINC001000640056 745655012 /nfs/dbraw/zinc/65/50/12/745655012.db2.gz OCBQWFIYFRBXQE-KRWDZBQOSA-N 1 1 339.395 0.895 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001000641506 745657011 /nfs/dbraw/zinc/65/70/11/745657011.db2.gz ZNVPSFBUUCZPTL-INIZCTEOSA-N 1 1 340.383 0.915 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001000641506 745657015 /nfs/dbraw/zinc/65/70/15/745657015.db2.gz ZNVPSFBUUCZPTL-INIZCTEOSA-N 1 1 340.383 0.915 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029312230 745680884 /nfs/dbraw/zinc/68/08/84/745680884.db2.gz XBCIWOXXGVMWIP-JKJDWNRSSA-N 1 1 333.432 0.531 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H](O)C(C)C ZINC000977930239 745686658 /nfs/dbraw/zinc/68/66/58/745686658.db2.gz QZAJFTRHYMRBNO-HRCADAONSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H](O)C(C)C ZINC000977930239 745686662 /nfs/dbraw/zinc/68/66/62/745686662.db2.gz QZAJFTRHYMRBNO-HRCADAONSA-N 1 1 335.448 0.160 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1nccnc1C#N ZINC001126522964 745715958 /nfs/dbraw/zinc/71/59/58/745715958.db2.gz IFIWLQJOIVTJJD-UONOGXRCSA-N 1 1 346.435 0.115 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001000746844 745739248 /nfs/dbraw/zinc/73/92/48/745739248.db2.gz KRGXTUNYPLODQE-INIZCTEOSA-N 1 1 335.448 0.806 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)C1CC1 ZINC000977966684 745751231 /nfs/dbraw/zinc/75/12/31/745751231.db2.gz QVIUIFGQDUFXPP-QKDCVEJESA-N 1 1 341.415 0.415 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCN(CC)C2=O)cn1 ZINC001028270685 752030028 /nfs/dbraw/zinc/03/00/28/752030028.db2.gz QQHHNIUDBNSLLN-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCN(CC)C2=O)cn1 ZINC001028270685 752030033 /nfs/dbraw/zinc/03/00/33/752030033.db2.gz QQHHNIUDBNSLLN-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO COc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)on1 ZINC000978016358 745801617 /nfs/dbraw/zinc/80/16/17/745801617.db2.gz AUIQUYUVTPDJHY-ZSOGYDGISA-N 1 1 341.371 0.991 20 30 ECEDMO COc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)on1 ZINC000978016358 745801619 /nfs/dbraw/zinc/80/16/19/745801619.db2.gz AUIQUYUVTPDJHY-ZSOGYDGISA-N 1 1 341.371 0.991 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CCn1cncn1 ZINC001087535283 745822954 /nfs/dbraw/zinc/82/29/54/745822954.db2.gz AVKWWXLITRWZET-DZGCQCFKSA-N 1 1 327.392 0.761 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001000847343 745823382 /nfs/dbraw/zinc/82/33/82/745823382.db2.gz SKPPFLXPDIXNHI-UHFFFAOYSA-N 1 1 339.417 0.865 20 30 ECEDMO C#CCOCCC(=O)N1CCC([C@H]2[N@@H+](CC(N)=O)CC23CCC3)CC1 ZINC001105393749 745823910 /nfs/dbraw/zinc/82/39/10/745823910.db2.gz GZWSJVMLAYKSMA-GOSISDBHSA-N 1 1 347.459 0.605 20 30 ECEDMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)nn1 ZINC000978029640 745830735 /nfs/dbraw/zinc/83/07/35/745830735.db2.gz PQBQOYIVXNIFEK-QKDCVEJESA-N 1 1 325.376 0.123 20 30 ECEDMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)nn1 ZINC000978029640 745830743 /nfs/dbraw/zinc/83/07/43/745830743.db2.gz PQBQOYIVXNIFEK-QKDCVEJESA-N 1 1 325.376 0.123 20 30 ECEDMO C[C@@H](c1nncn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978069702 745875739 /nfs/dbraw/zinc/87/57/39/745875739.db2.gz YYTGGSFDCBFNHW-FBUXBERBSA-N 1 1 339.403 0.684 20 30 ECEDMO C[C@@H](c1nncn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978069702 745875745 /nfs/dbraw/zinc/87/57/45/745875745.db2.gz YYTGGSFDCBFNHW-FBUXBERBSA-N 1 1 339.403 0.684 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2ccc(=O)n(CCOC)c2)CC1 ZINC001000902183 745882078 /nfs/dbraw/zinc/88/20/78/745882078.db2.gz WBPATKJRWXZKKZ-UHFFFAOYSA-N 1 1 329.400 0.490 20 30 ECEDMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)nn1 ZINC000978120289 745931266 /nfs/dbraw/zinc/93/12/66/745931266.db2.gz PCFBTQPAIHNMCD-ZSOGYDGISA-N 1 1 342.428 0.856 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC001001001027 745965465 /nfs/dbraw/zinc/96/54/65/745965465.db2.gz HKYQURUUCASIKP-AWEZNQCLSA-N 1 1 329.391 0.887 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000978163277 745976363 /nfs/dbraw/zinc/97/63/63/745976363.db2.gz DRUHBGXZZYMPBZ-MTSZKFMLSA-N 1 1 347.459 0.540 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028459 752053585 /nfs/dbraw/zinc/05/35/85/752053585.db2.gz JCWJQOHGQQYROR-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028459 752053590 /nfs/dbraw/zinc/05/35/90/752053590.db2.gz JCWJQOHGQQYROR-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccn(CCOC)n3)C[C@@]2(C)C1 ZINC000982363998 752055352 /nfs/dbraw/zinc/05/53/52/752055352.db2.gz ZNRQFVCYOCOXCW-HDICACEKSA-N 1 1 330.432 0.947 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000984225687 746085861 /nfs/dbraw/zinc/08/58/61/746085861.db2.gz RIGFFPCHFFFRIW-HUUCEWRRSA-N 1 1 343.431 0.901 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)[C@H]1CC ZINC001087592211 746103571 /nfs/dbraw/zinc/10/35/71/746103571.db2.gz FNVRSKTTZXGCNY-OWCLPIDISA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1CC ZINC001087593754 746105397 /nfs/dbraw/zinc/10/53/97/746105397.db2.gz UWRAXDNBWZYYCZ-QWHCGFSZSA-N 1 1 349.884 0.744 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1CC ZINC001087593754 746105399 /nfs/dbraw/zinc/10/53/99/746105399.db2.gz UWRAXDNBWZYYCZ-QWHCGFSZSA-N 1 1 349.884 0.744 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cccnn1 ZINC000978267367 746115153 /nfs/dbraw/zinc/11/51/53/746115153.db2.gz ZQPDZDHIRGTWQM-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cccnn1 ZINC000978267367 746115157 /nfs/dbraw/zinc/11/51/57/746115157.db2.gz ZQPDZDHIRGTWQM-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)[nH]c4ncn(C)c43)[C@@H]2C1 ZINC000978275933 746136756 /nfs/dbraw/zinc/13/67/56/746136756.db2.gz UGZDJCIRACCPLT-ZSOGYDGISA-N 1 1 339.399 0.605 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1CC ZINC001087640113 746145259 /nfs/dbraw/zinc/14/52/59/746145259.db2.gz KJZSKIBBXQNMLT-NWDGAFQWSA-N 1 1 339.417 0.533 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001059350180 746163618 /nfs/dbraw/zinc/16/36/18/746163618.db2.gz QXSKPPSCOZBSMP-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)nn1 ZINC001027607588 746171963 /nfs/dbraw/zinc/17/19/63/746171963.db2.gz ZRTDSAPGCRGZGE-JSGCOSHPSA-N 1 1 334.424 0.264 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@H+]([C@H](C)C(N)=O)CC2)nn1 ZINC001001244577 746202451 /nfs/dbraw/zinc/20/24/51/746202451.db2.gz GRNJJOBYLVSAGP-GFCCVEGCSA-N 1 1 332.408 0.090 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@@H+]([C@H](C)C(N)=O)CC2)nn1 ZINC001001244577 746202456 /nfs/dbraw/zinc/20/24/56/746202456.db2.gz GRNJJOBYLVSAGP-GFCCVEGCSA-N 1 1 332.408 0.090 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@H+]([C@H](C)C(=O)NC)CC2)nn1 ZINC001001247955 746206976 /nfs/dbraw/zinc/20/69/76/746206976.db2.gz MXJYOJKUNYWXGL-CYBMUJFWSA-N 1 1 346.435 0.351 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@@H+]([C@H](C)C(=O)NC)CC2)nn1 ZINC001001247955 746206980 /nfs/dbraw/zinc/20/69/80/746206980.db2.gz MXJYOJKUNYWXGL-CYBMUJFWSA-N 1 1 346.435 0.351 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001027611435 746227434 /nfs/dbraw/zinc/22/74/34/746227434.db2.gz VXDQEQKYQSNCDQ-CQSZACIVSA-N 1 1 334.424 0.288 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000978364466 746246661 /nfs/dbraw/zinc/24/66/61/746246661.db2.gz ZMZFVSMFCQCASV-WBVHZDCISA-N 1 1 340.427 0.688 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001305833 746264153 /nfs/dbraw/zinc/26/41/53/746264153.db2.gz ZUUHRLFHVVYCGO-CYBMUJFWSA-N 1 1 343.855 0.670 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001305833 746264157 /nfs/dbraw/zinc/26/41/57/746264157.db2.gz ZUUHRLFHVVYCGO-CYBMUJFWSA-N 1 1 343.855 0.670 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)[C@@H]2CC)nn1 ZINC001087753962 746286345 /nfs/dbraw/zinc/28/63/45/746286345.db2.gz ICRPAUJMFHSVNR-GOEBONIOSA-N 1 1 343.435 0.944 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087757730 746290996 /nfs/dbraw/zinc/29/09/96/746290996.db2.gz JGKLDDOCLGWJAS-BFHYXJOUSA-N 1 1 329.466 0.566 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001356615 746303882 /nfs/dbraw/zinc/30/38/82/746303882.db2.gz JAZXICBLXXMQJM-FZMZJTMJSA-N 1 1 329.404 0.272 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001357481 746304422 /nfs/dbraw/zinc/30/44/22/746304422.db2.gz PINCIBUDQKDDEA-UHFFFAOYSA-N 1 1 326.360 0.280 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2ccc(C(=O)NC)nc2)CC1 ZINC001001381105 746328109 /nfs/dbraw/zinc/32/81/09/746328109.db2.gz KTSMQZNYFBHLGA-UHFFFAOYSA-N 1 1 326.400 0.826 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cncc(F)c2)C1 ZINC001001398625 746340393 /nfs/dbraw/zinc/34/03/93/746340393.db2.gz WTHMXGNNIGQOMZ-INIZCTEOSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cncc(F)c2)C1 ZINC001001398625 746340398 /nfs/dbraw/zinc/34/03/98/746340398.db2.gz WTHMXGNNIGQOMZ-INIZCTEOSA-N 1 1 344.390 0.507 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)c1nccnc1C#N ZINC001126549348 746360115 /nfs/dbraw/zinc/36/01/15/746360115.db2.gz MMEUZFVWUQCDLM-OAHLLOKOSA-N 1 1 346.435 0.402 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007100308 752085517 /nfs/dbraw/zinc/08/55/17/752085517.db2.gz NIPPOXKJMNKFPM-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007100308 752085526 /nfs/dbraw/zinc/08/55/26/752085526.db2.gz NIPPOXKJMNKFPM-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCN1CC[C@H](N2CC=C(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001001454547 746393442 /nfs/dbraw/zinc/39/34/42/746393442.db2.gz XTWPMCSGXCQMFX-IRXDYDNUSA-N 1 1 346.475 0.473 20 30 ECEDMO C=CCN1CC[C@H](N2CC=C(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001001454547 746393447 /nfs/dbraw/zinc/39/34/47/746393447.db2.gz XTWPMCSGXCQMFX-IRXDYDNUSA-N 1 1 346.475 0.473 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001515110 746452363 /nfs/dbraw/zinc/45/23/63/746452363.db2.gz JKBBEHKGMUOXBC-UHFFFAOYSA-N 1 1 326.360 0.280 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)n1 ZINC000978633711 746507659 /nfs/dbraw/zinc/50/76/59/746507659.db2.gz MOTBXBDNJAKNCX-XYYAHUGASA-N 1 1 343.416 0.251 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001001629040 746552551 /nfs/dbraw/zinc/55/25/51/746552551.db2.gz UFEAYFPAWURWMO-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001001629040 746552554 /nfs/dbraw/zinc/55/25/54/746552554.db2.gz UFEAYFPAWURWMO-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1 ZINC001001700966 746615776 /nfs/dbraw/zinc/61/57/76/746615776.db2.gz VLIVELJIWJYCBH-WCVJEAGWSA-N 1 1 341.415 0.842 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCN(C)C2=O)c1 ZINC001029467082 746701303 /nfs/dbraw/zinc/70/13/03/746701303.db2.gz YXQFZDASJBKPNO-BBWFWOEESA-N 1 1 338.411 0.582 20 30 ECEDMO CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1)C1CC1 ZINC001211886549 746739433 /nfs/dbraw/zinc/73/94/33/746739433.db2.gz NVSRPCVINDLORN-QLFBSQMISA-N 1 1 341.477 0.874 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001059413728 746759265 /nfs/dbraw/zinc/75/92/65/746759265.db2.gz VSLSMNSAMZEIGO-JOCQHMNTSA-N 1 1 328.420 0.561 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000978840173 746766182 /nfs/dbraw/zinc/76/61/82/746766182.db2.gz MDRLFKRNWHIWBT-RBZJEDDUSA-N 1 1 335.448 0.540 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041987002 782553805 /nfs/dbraw/zinc/55/38/05/782553805.db2.gz VRHGDCIDPVDHBB-XJKSGUPXSA-N 1 1 326.400 0.856 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](N(C)[C@@H]3CCNC3=O)C2)CC1 ZINC001027694234 746860967 /nfs/dbraw/zinc/86/09/67/746860967.db2.gz UZYSMLRQEKSSOH-IAGOWNOFSA-N 1 1 346.475 0.143 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccn4c(=O)[nH]nc34)[C@@H]2C1 ZINC000978938806 746917987 /nfs/dbraw/zinc/91/79/87/746917987.db2.gz FSAWKUJIIXILIX-ZSOGYDGISA-N 1 1 327.388 0.919 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@@H]2C1 ZINC001087990245 746942773 /nfs/dbraw/zinc/94/27/73/746942773.db2.gz WPDUXPKVADBUFQ-OLZOCXBDSA-N 1 1 339.399 0.701 20 30 ECEDMO N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001059446569 746984773 /nfs/dbraw/zinc/98/47/73/746984773.db2.gz ZUHFAMCPWKGKAB-KCYZZUKISA-N 1 1 341.415 0.297 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)cn1 ZINC000979002367 747027370 /nfs/dbraw/zinc/02/73/70/747027370.db2.gz JVXNXJPIFWQIHB-PHZGNYQRSA-N 1 1 326.400 0.059 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001002169891 747049897 /nfs/dbraw/zinc/04/98/97/747049897.db2.gz NEFCMWLVRXNPBD-SJORKVTESA-N 1 1 329.444 0.991 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(C)no3)C2)nn1 ZINC000984902634 747082440 /nfs/dbraw/zinc/08/24/40/747082440.db2.gz OKBWFAVVOXUWLA-HAQNSBGRSA-N 1 1 331.380 0.454 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccn(C)n4)[C@@H]3C2)C1=O ZINC000979063988 747112170 /nfs/dbraw/zinc/11/21/70/747112170.db2.gz WEGWSUXOINOKNI-AYDFFVQHSA-N 1 1 343.431 0.115 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088032518 747114618 /nfs/dbraw/zinc/11/46/18/747114618.db2.gz RWRYENXFEZRPKW-ILXRZTDVSA-N 1 1 326.462 0.778 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C[C@@H]2C1 ZINC001088032488 747114751 /nfs/dbraw/zinc/11/47/51/747114751.db2.gz QXTCNMYNCFJXDK-OAGGEKHMSA-N 1 1 332.448 0.581 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](C)Nc1ccnc(C#N)n1)C2 ZINC001098272640 747139972 /nfs/dbraw/zinc/13/99/72/747139972.db2.gz NZEDMZAQTDBALC-WCQYABFASA-N 1 1 339.403 0.454 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059463162 747143385 /nfs/dbraw/zinc/14/33/85/747143385.db2.gz SAFVNLQAPWXREX-KKUMJFAQSA-N 1 1 342.447 0.950 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C)no2)C1=O ZINC001027751999 747408718 /nfs/dbraw/zinc/40/87/18/747408718.db2.gz SHZVZYFMURVRAZ-UONOGXRCSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C)no2)C1=O ZINC001027751999 747408720 /nfs/dbraw/zinc/40/87/20/747408720.db2.gz SHZVZYFMURVRAZ-UONOGXRCSA-N 1 1 332.404 0.964 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@@H]2C1 ZINC001088140696 747490660 /nfs/dbraw/zinc/49/06/60/747490660.db2.gz ZJFFGUKXYMKGCD-KGLIPLIRSA-N 1 1 339.399 0.358 20 30 ECEDMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979285908 747536465 /nfs/dbraw/zinc/53/64/65/747536465.db2.gz CFORYSDYZSJFOY-IAQYHMDHSA-N 1 1 343.391 0.034 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985254389 747600610 /nfs/dbraw/zinc/60/06/10/747600610.db2.gz OKZPTOLBGHUDSS-UHFFFAOYSA-N 1 1 339.403 0.668 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979328508 747621226 /nfs/dbraw/zinc/62/12/26/747621226.db2.gz HOYHSZUNOMNQNZ-DOMZBBRYSA-N 1 1 343.431 0.801 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N(C)C)nn3)C[C@@H]2C1 ZINC001088173782 747682268 /nfs/dbraw/zinc/68/22/68/747682268.db2.gz RXVMBTGGGIFLLZ-CABCVRRESA-N 1 1 327.432 0.960 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CCOC3)CC2)C1=O ZINC000985315736 747684816 /nfs/dbraw/zinc/68/48/16/747684816.db2.gz CYWVFSUMUXVICI-GDBMZVCRSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001088198948 747724227 /nfs/dbraw/zinc/72/42/27/747724227.db2.gz QRDVTUIURXZVTG-KGLIPLIRSA-N 1 1 346.431 0.846 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@@H]2C1 ZINC001088199136 747724820 /nfs/dbraw/zinc/72/48/20/747724820.db2.gz BTYDYDKJLASEMV-KGLIPLIRSA-N 1 1 326.404 0.633 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnc(C)n4C3)C[C@@H]2C1 ZINC001088210199 747744400 /nfs/dbraw/zinc/74/44/00/747744400.db2.gz AYSQKLNBOGTWIO-PMPSAXMXSA-N 1 1 327.432 0.562 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCOC)CC[C@@H]3C2)CC1 ZINC001088212130 747745132 /nfs/dbraw/zinc/74/51/32/747745132.db2.gz QYRGTQCCJVRAHH-MSOLQXFVSA-N 1 1 333.476 0.758 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](CCOC)CC[C@@H]3C2)CC1 ZINC001088212130 747745137 /nfs/dbraw/zinc/74/51/37/747745137.db2.gz QYRGTQCCJVRAHH-MSOLQXFVSA-N 1 1 333.476 0.758 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCOC)CC[C@@H]3C2)CC1 ZINC001088212130 747745144 /nfs/dbraw/zinc/74/51/44/747745144.db2.gz QYRGTQCCJVRAHH-MSOLQXFVSA-N 1 1 333.476 0.758 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001088226538 747774061 /nfs/dbraw/zinc/77/40/61/747774061.db2.gz RFVAUNXXPWMDNU-HNNXBMFYSA-N 1 1 334.424 0.189 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985364214 747799132 /nfs/dbraw/zinc/79/91/32/747799132.db2.gz CMPZNVSBAARXPK-UHFFFAOYSA-N 1 1 344.419 0.448 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000988498069 752216437 /nfs/dbraw/zinc/21/64/37/752216437.db2.gz CXKPDNPRBCOHAC-YPMHNXCESA-N 1 1 342.407 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001002835665 747857632 /nfs/dbraw/zinc/85/76/32/747857632.db2.gz NBXXXMYNUUQPTR-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001002835665 747857639 /nfs/dbraw/zinc/85/76/39/747857639.db2.gz NBXXXMYNUUQPTR-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC001088240256 747944067 /nfs/dbraw/zinc/94/40/67/747944067.db2.gz SXLQYJMCSFLEFB-MRXNPFEDSA-N 1 1 346.435 0.026 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)c3cnn(C)c3)C2)C1=O ZINC001029643418 747965344 /nfs/dbraw/zinc/96/53/44/747965344.db2.gz RCGAPGMUSKRMBV-GDBMZVCRSA-N 1 1 345.447 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC000982444019 752229601 /nfs/dbraw/zinc/22/96/01/752229601.db2.gz YDROBPKHGVDPIG-HOCLYGCPSA-N 1 1 329.400 0.956 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC000982444019 752229609 /nfs/dbraw/zinc/22/96/09/752229609.db2.gz YDROBPKHGVDPIG-HOCLYGCPSA-N 1 1 329.400 0.956 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccon3)C2)C1=O ZINC001029663832 747997367 /nfs/dbraw/zinc/99/73/67/747997367.db2.gz JWVCUWMMIVUGCK-HIFRSBDPSA-N 1 1 332.404 0.855 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cn[nH]c3)C2)C1=O ZINC001029660792 748002629 /nfs/dbraw/zinc/00/26/29/748002629.db2.gz ZOIFNWHYMHGUNQ-HIFRSBDPSA-N 1 1 331.420 0.591 20 30 ECEDMO COCCc1noc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001029679635 748044772 /nfs/dbraw/zinc/04/47/72/748044772.db2.gz OODHFPMWIWMGQH-CHWSQXEVSA-N 1 1 335.408 0.698 20 30 ECEDMO COCCc1noc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001029679635 748044778 /nfs/dbraw/zinc/04/47/78/748044778.db2.gz OODHFPMWIWMGQH-CHWSQXEVSA-N 1 1 335.408 0.698 20 30 ECEDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CC(N)=O)C2)cc1C#N ZINC001029682137 748045628 /nfs/dbraw/zinc/04/56/28/748045628.db2.gz RZYBUTUKJIMFIM-AWEZNQCLSA-N 1 1 344.415 0.723 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ocnc2C)C1 ZINC000979599190 748113690 /nfs/dbraw/zinc/11/36/90/748113690.db2.gz IKIHIHODBIIUPN-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ocnc2C)C1 ZINC000979599190 748113692 /nfs/dbraw/zinc/11/36/92/748113692.db2.gz IKIHIHODBIIUPN-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC000979612970 748121252 /nfs/dbraw/zinc/12/12/52/748121252.db2.gz GVTRJFVIZKSPBE-FPMFFAJLSA-N 1 1 329.404 0.463 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC001003054936 748122423 /nfs/dbraw/zinc/12/24/23/748122423.db2.gz CSFVGCXCUWRFKY-KRWDZBQOSA-N 1 1 346.475 0.285 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cccn2)[nH]1 ZINC001027821883 748131411 /nfs/dbraw/zinc/13/14/11/748131411.db2.gz TYYYBVJLXZOBBW-HUUCEWRRSA-N 1 1 342.403 0.338 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979659340 748174093 /nfs/dbraw/zinc/17/40/93/748174093.db2.gz XSSRGFLJLDMMFU-JURCDPSOSA-N 1 1 343.431 0.709 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C)ncn2)C1=O ZINC001027828280 748225845 /nfs/dbraw/zinc/22/58/45/748225845.db2.gz IPXNDBFNCFSUJT-GOEBONIOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C)ncn2)C1=O ZINC001027828280 748225849 /nfs/dbraw/zinc/22/58/49/748225849.db2.gz IPXNDBFNCFSUJT-GOEBONIOSA-N 1 1 343.431 0.766 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C[C@H]2CCc3ncnn32)[nH]1 ZINC001027830886 748271731 /nfs/dbraw/zinc/27/17/31/748271731.db2.gz IPYZMBOBGXOKHE-ZIAGYGMSSA-N 1 1 339.403 0.860 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027831593 748283201 /nfs/dbraw/zinc/28/32/01/748283201.db2.gz RWTSYRRZCLLQAH-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027831708 748287402 /nfs/dbraw/zinc/28/74/02/748287402.db2.gz UBFDKJXQIAAQKF-GOEBONIOSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027831708 748287406 /nfs/dbraw/zinc/28/74/06/748287406.db2.gz UBFDKJXQIAAQKF-GOEBONIOSA-N 1 1 341.415 0.867 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001059564424 748444394 /nfs/dbraw/zinc/44/43/94/748444394.db2.gz JYNQGCJSLGLBFE-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001059564424 748444396 /nfs/dbraw/zinc/44/43/96/748444396.db2.gz JYNQGCJSLGLBFE-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)c3csnn3)CC2)C1=O ZINC001003386770 748496293 /nfs/dbraw/zinc/49/62/93/748496293.db2.gz JKQPTSNKVXLAFF-CYBMUJFWSA-N 1 1 335.433 0.519 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@]3(C)CN(CC#N)C[C@@]3(C)C2)C1 ZINC000982474352 752279416 /nfs/dbraw/zinc/27/94/16/752279416.db2.gz AVYJPXQQVRNHLN-RYQLBKOJSA-N 1 1 334.464 0.790 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@]3(C)CN(CC#N)C[C@@]3(C)C2)C1 ZINC000982474352 752279420 /nfs/dbraw/zinc/27/94/20/752279420.db2.gz AVYJPXQQVRNHLN-RYQLBKOJSA-N 1 1 334.464 0.790 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001029811425 748535609 /nfs/dbraw/zinc/53/56/09/748535609.db2.gz FEYULGSCHNQHMO-NRKLIOEPSA-N 1 1 347.459 0.446 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC001003471478 748588770 /nfs/dbraw/zinc/58/87/70/748588770.db2.gz JOMPYZDFFULVOE-CQSZACIVSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)C1=O ZINC001029831223 748655437 /nfs/dbraw/zinc/65/54/37/748655437.db2.gz SKZRPOQLCKMPNU-GXTWGEPZSA-N 1 1 349.410 0.730 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3ccn(C)n3)C2)C1=O ZINC001007322230 752290518 /nfs/dbraw/zinc/29/05/18/752290518.db2.gz WLVGPKWZISFZPQ-HOTGVXAUSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3ccn(C)n3)C2)C1=O ZINC001007322230 752290519 /nfs/dbraw/zinc/29/05/19/752290519.db2.gz WLVGPKWZISFZPQ-HOTGVXAUSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)C1=O ZINC001003628973 748742065 /nfs/dbraw/zinc/74/20/65/748742065.db2.gz VRXBOWIDRICGGN-NVXWUHKLSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1=O ZINC001003628973 748742072 /nfs/dbraw/zinc/74/20/72/748742072.db2.gz VRXBOWIDRICGGN-NVXWUHKLSA-N 1 1 348.491 0.838 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@H]1COC(=O)N1 ZINC001027857903 748754843 /nfs/dbraw/zinc/75/48/43/748754843.db2.gz ALRKWBIGGPLOMO-JKSUJKDBSA-N 1 1 327.384 0.727 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@H]1COC(=O)N1 ZINC001027857903 748754845 /nfs/dbraw/zinc/75/48/45/748754845.db2.gz ALRKWBIGGPLOMO-JKSUJKDBSA-N 1 1 327.384 0.727 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CS(=O)(=O)C3)C[C@H]2C1 ZINC000979979056 748756145 /nfs/dbraw/zinc/75/61/45/748756145.db2.gz JYOHOKFDJRRULY-JYJNAYRXSA-N 1 1 338.473 0.661 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 ZINC000979983181 748777528 /nfs/dbraw/zinc/77/75/28/748777528.db2.gz TXXVSDVOQJNBCJ-GVDBMIGSSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000982478495 752302283 /nfs/dbraw/zinc/30/22/83/752302283.db2.gz JCYJAVCNPMFDLK-ZFWWWQNUSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000982478495 752302289 /nfs/dbraw/zinc/30/22/89/752302289.db2.gz JCYJAVCNPMFDLK-ZFWWWQNUSA-N 1 1 329.404 0.086 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058816391 748797283 /nfs/dbraw/zinc/79/72/83/748797283.db2.gz UCJOOIGSDGLPOH-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccnn3CCOC)C[C@H]2C1 ZINC000980006224 748815881 /nfs/dbraw/zinc/81/58/81/748815881.db2.gz ZUKJBANMXAIPAB-JYJNAYRXSA-N 1 1 330.432 0.993 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccnn3CCOC)C[C@@H]2C1 ZINC000980006219 748815553 /nfs/dbraw/zinc/81/55/53/748815553.db2.gz ZUKJBANMXAIPAB-ARFHVFGLSA-N 1 1 330.432 0.993 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)cc1F ZINC001027860903 748818308 /nfs/dbraw/zinc/81/83/08/748818308.db2.gz MXHBGNCZTIWYFH-UKRRQHHQSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)cc1F ZINC001027860903 748818313 /nfs/dbraw/zinc/81/83/13/748818313.db2.gz MXHBGNCZTIWYFH-UKRRQHHQSA-N 1 1 346.362 0.886 20 30 ECEDMO O=C(CC[NH+]1CCOCC1)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001059622158 748855743 /nfs/dbraw/zinc/85/57/43/748855743.db2.gz CEEHDLFKZJRQMZ-QGZVFWFLSA-N 1 1 347.459 0.477 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000985695171 748883029 /nfs/dbraw/zinc/88/30/29/748883029.db2.gz SYVIFRMHXKXJET-UHFFFAOYSA-N 1 1 348.451 0.678 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001003779724 748885397 /nfs/dbraw/zinc/88/53/97/748885397.db2.gz HVWZPYOIIPMVCF-UHFFFAOYSA-N 1 1 340.811 0.308 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC([N@@H+](C)[C@H]3CCNC3=O)CC2)nn1 ZINC000985699948 748891019 /nfs/dbraw/zinc/89/10/19/748891019.db2.gz NRKWXQNSBREOFR-HNNXBMFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC000985700570 748891714 /nfs/dbraw/zinc/89/17/14/748891714.db2.gz BYCDDDLAIGTWNL-UHFFFAOYSA-N 1 1 327.388 0.501 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3nc[nH]n3)CC2)C1=O ZINC000985710503 748922276 /nfs/dbraw/zinc/92/22/76/748922276.db2.gz XLYQOHYJQLTUCD-CYBMUJFWSA-N 1 1 332.408 0.128 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027878487 748982341 /nfs/dbraw/zinc/98/23/41/748982341.db2.gz CMDFJGKHZSVVIZ-KGLIPLIRSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000985771108 749054357 /nfs/dbraw/zinc/05/43/57/749054357.db2.gz CXAAVUOFLAYSNU-HNNXBMFYSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]2C1 ZINC000980150338 749073090 /nfs/dbraw/zinc/07/30/90/749073090.db2.gz BZCDLUZSLJONOR-RRFJBIMHSA-N 1 1 342.443 0.814 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H](C)OC)CC2)CC1 ZINC000985823295 749174357 /nfs/dbraw/zinc/17/43/57/749174357.db2.gz VEWRUINYOCHRKK-OAHLLOKOSA-N 1 1 338.452 0.479 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@H]3C2)nc1 ZINC000980207297 749184817 /nfs/dbraw/zinc/18/48/17/749184817.db2.gz IYYLPSRDQHOAEC-RBSFLKMASA-N 1 1 326.400 0.379 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001059657345 749186473 /nfs/dbraw/zinc/18/64/73/749186473.db2.gz REDRBJIRHFSZSV-HZSPNIEDSA-N 1 1 328.420 0.704 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)ccc3=O)C[C@@H]2C1 ZINC000980211778 749191536 /nfs/dbraw/zinc/19/15/36/749191536.db2.gz HQTFWQGXMJMLLB-ARFHVFGLSA-N 1 1 330.432 0.954 20 30 ECEDMO C=CCN1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000985832747 749201539 /nfs/dbraw/zinc/20/15/39/749201539.db2.gz OGNAQGNBQMSGHU-MRXNPFEDSA-N 1 1 349.479 0.006 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000980223510 749205098 /nfs/dbraw/zinc/20/50/98/749205098.db2.gz WJIXHOKIZKXHMW-BFHYXJOUSA-N 1 1 334.420 0.331 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC000980219077 749214314 /nfs/dbraw/zinc/21/43/14/749214314.db2.gz NQVMIGYSEWBVTM-SOUVJXGZSA-N 1 1 348.447 0.721 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)C[C@H]2C1 ZINC000980236489 749237403 /nfs/dbraw/zinc/23/74/03/749237403.db2.gz NCMSKGIHVYQDIJ-KKUMJFAQSA-N 1 1 328.416 0.634 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cccnn3)C2)C1=O ZINC001029871912 749241019 /nfs/dbraw/zinc/24/10/19/749241019.db2.gz ACJIOVMKKRKKAV-ZBFHGGJFSA-N 1 1 343.431 0.657 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C3CCOCC3)[C@H]2C)C1=O ZINC001088443724 749242999 /nfs/dbraw/zinc/24/29/99/749242999.db2.gz RIOKZQPSYYJWQW-KBMXLJTQSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C3CCOCC3)[C@H]2C)C1=O ZINC001088443724 749243005 /nfs/dbraw/zinc/24/30/05/749243005.db2.gz RIOKZQPSYYJWQW-KBMXLJTQSA-N 1 1 335.448 0.779 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)C[C@H]2C1 ZINC000980240872 749245982 /nfs/dbraw/zinc/24/59/82/749245982.db2.gz HBDBSALZNYEBFE-AEGPPILISA-N 1 1 328.416 0.967 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(C(N)=O)n3)C[C@H]2C1 ZINC000980243787 749249716 /nfs/dbraw/zinc/24/97/16/749249716.db2.gz IGVLUZUAWASLOI-IHRRRGAJSA-N 1 1 326.400 0.644 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001004149943 749262943 /nfs/dbraw/zinc/26/29/43/749262943.db2.gz OMQDHQTUHGRFPA-GDBMZVCRSA-N 1 1 334.464 0.306 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001004149943 749262946 /nfs/dbraw/zinc/26/29/46/749262946.db2.gz OMQDHQTUHGRFPA-GDBMZVCRSA-N 1 1 334.464 0.306 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001004192176 749299621 /nfs/dbraw/zinc/29/96/21/749299621.db2.gz JMBOUWDOHNUTAZ-MRXNPFEDSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC000980283640 749312996 /nfs/dbraw/zinc/31/29/96/749312996.db2.gz IDCAAROLIWQYPY-SJJHQCBESA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC000980283640 749313001 /nfs/dbraw/zinc/31/30/01/749313001.db2.gz IDCAAROLIWQYPY-SJJHQCBESA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2nccs2)C1 ZINC000980297477 749328717 /nfs/dbraw/zinc/32/87/17/749328717.db2.gz GMYQWNUXYXREKR-IHRRRGAJSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2nccs2)C1 ZINC000980297477 749328722 /nfs/dbraw/zinc/32/87/22/749328722.db2.gz GMYQWNUXYXREKR-IHRRRGAJSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2cnon2)CC1 ZINC000980313802 749354151 /nfs/dbraw/zinc/35/41/51/749354151.db2.gz TYWUVERUYAVSGD-PIMMBPRGSA-N 1 1 345.403 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2cnon2)CC1 ZINC000980313802 749354157 /nfs/dbraw/zinc/35/41/57/749354157.db2.gz TYWUVERUYAVSGD-PIMMBPRGSA-N 1 1 345.403 0.324 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001004388108 749454378 /nfs/dbraw/zinc/45/43/78/749454378.db2.gz ABUPRDCZDBLPNC-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001059688000 749459529 /nfs/dbraw/zinc/45/95/29/749459529.db2.gz DYGHZNMQSMOVEP-DAYGRLMNSA-N 1 1 325.416 0.920 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC000986079574 749489503 /nfs/dbraw/zinc/48/95/03/749489503.db2.gz PYHXHGFOJUIIDD-SJORKVTESA-N 1 1 340.427 0.912 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC001004441117 749501087 /nfs/dbraw/zinc/50/10/87/749501087.db2.gz AYGJVZXPKQBOPV-CZUORRHYSA-N 1 1 340.427 0.449 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC001004496262 749568721 /nfs/dbraw/zinc/56/87/21/749568721.db2.gz YGVZLAUCGZZAAU-MRXNPFEDSA-N 1 1 345.447 0.308 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3nonc3C)C2)C1=O ZINC001029914684 749588065 /nfs/dbraw/zinc/58/80/65/749588065.db2.gz AVFXNABDPZQRMW-KBPBESRZSA-N 1 1 347.419 0.559 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC000986132933 749601646 /nfs/dbraw/zinc/60/16/46/749601646.db2.gz LQADUADYJKEKOG-FZMZJTMJSA-N 1 1 327.392 0.891 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004554315 749616694 /nfs/dbraw/zinc/61/66/94/749616694.db2.gz WRLXMSZEIHNGRM-OAGGEKHMSA-N 1 1 335.448 0.766 20 30 ECEDMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000986179926 749638971 /nfs/dbraw/zinc/63/89/71/749638971.db2.gz BILYKGGJZUCFGS-YGRLFVJLSA-N 1 1 340.391 0.601 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC000986183294 749642241 /nfs/dbraw/zinc/64/22/41/749642241.db2.gz KWDRIBAEBQROIX-FZMZJTMJSA-N 1 1 327.392 0.891 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000986188899 749646757 /nfs/dbraw/zinc/64/67/57/749646757.db2.gz VCEVSYUSVMPYLP-FZMZJTMJSA-N 1 1 342.407 0.676 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC001027942333 749664715 /nfs/dbraw/zinc/66/47/15/749664715.db2.gz CBQDKICKCKIUIW-IRXDYDNUSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC001027942333 749664719 /nfs/dbraw/zinc/66/47/19/749664719.db2.gz CBQDKICKCKIUIW-IRXDYDNUSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cc(OC)no1 ZINC001027942617 749666775 /nfs/dbraw/zinc/66/67/75/749666775.db2.gz FIBDBVWMBFOZQF-HOCLYGCPSA-N 1 1 346.431 0.861 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cc(OC)no1 ZINC001027942617 749666780 /nfs/dbraw/zinc/66/67/80/749666780.db2.gz FIBDBVWMBFOZQF-HOCLYGCPSA-N 1 1 346.431 0.861 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nnc(CC)o1 ZINC001027944077 749676894 /nfs/dbraw/zinc/67/68/94/749676894.db2.gz SLLFCZXYMJOGJW-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nnc(CC)o1 ZINC001027944077 749676900 /nfs/dbraw/zinc/67/69/00/749676900.db2.gz SLLFCZXYMJOGJW-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000980548167 749760058 /nfs/dbraw/zinc/76/00/58/749760058.db2.gz CDHZRYDJGLITKF-QHSBEEBCSA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@H]1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)CN1C(=O)C#CC1CC1 ZINC000980575537 749802722 /nfs/dbraw/zinc/80/27/22/749802722.db2.gz PWHOFBRGTIVTNE-JSGCOSHPSA-N 1 1 331.420 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C[NH2+]Cc3nnn(C)n3)C[C@@H]2C)cc1 ZINC000980669333 749937952 /nfs/dbraw/zinc/93/79/52/749937952.db2.gz VJLHIQJCYTUIOQ-ZFWWWQNUSA-N 1 1 338.415 0.832 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cn3cccn3)CC2)C1=O ZINC000980709555 750027142 /nfs/dbraw/zinc/02/71/42/750027142.db2.gz ILMGGNICIZDIDK-HNNXBMFYSA-N 1 1 331.420 0.204 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cn3cccn3)CC2)C1=O ZINC000980709555 750027149 /nfs/dbraw/zinc/02/71/49/750027149.db2.gz ILMGGNICIZDIDK-HNNXBMFYSA-N 1 1 331.420 0.204 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001027966101 750027307 /nfs/dbraw/zinc/02/73/07/750027307.db2.gz KTDNSTJHUOGHNX-UPJWGTAASA-N 1 1 334.338 0.937 20 30 ECEDMO Cn1cc(C[N@H+](C)CC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC001029952890 750055945 /nfs/dbraw/zinc/05/59/45/750055945.db2.gz LUHPYQLAAMNBHN-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1cc(C[N@@H+](C)CC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC001029952890 750055948 /nfs/dbraw/zinc/05/59/48/750055948.db2.gz LUHPYQLAAMNBHN-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)C[C@@H]2C)nc1 ZINC000980768316 750123287 /nfs/dbraw/zinc/12/32/87/750123287.db2.gz SZIWSHQBEXCYQY-GXTWGEPZSA-N 1 1 339.403 0.227 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058849451 750171782 /nfs/dbraw/zinc/17/17/82/750171782.db2.gz UTLUURDPIVDUGV-HUUCEWRRSA-N 1 1 339.480 0.724 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)C[N@H+](C)CC(C)(C)C ZINC001058850659 750199749 /nfs/dbraw/zinc/19/97/49/750199749.db2.gz YJPLHMDLFOUSTE-UHFFFAOYSA-N 1 1 339.480 0.705 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[N@H+](CCc2nnn(C(C)(C)C)n2)CC1 ZINC000980848901 750259193 /nfs/dbraw/zinc/25/91/93/750259193.db2.gz DOMYZVOZMPCJDJ-ZDUSSCGKSA-N 1 1 333.440 0.665 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CCc2nnn(C(C)(C)C)n2)CC1 ZINC000980848901 750259196 /nfs/dbraw/zinc/25/91/96/750259196.db2.gz DOMYZVOZMPCJDJ-ZDUSSCGKSA-N 1 1 333.440 0.665 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccnnc2C)C1=O ZINC001028001463 750291613 /nfs/dbraw/zinc/29/16/13/750291613.db2.gz VHJRTAYAQAVOPY-HOCLYGCPSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccnnc2C)C1=O ZINC001028001463 750291623 /nfs/dbraw/zinc/29/16/23/750291623.db2.gz VHJRTAYAQAVOPY-HOCLYGCPSA-N 1 1 343.431 0.766 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)[C@@H]1CCNC1=O ZINC001028073855 750500232 /nfs/dbraw/zinc/50/02/32/750500232.db2.gz ZAPKPMPSFVBUJA-IAGOWNOFSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)[C@@H]1CCNC1=O ZINC001028073855 750500235 /nfs/dbraw/zinc/50/02/35/750500235.db2.gz ZAPKPMPSFVBUJA-IAGOWNOFSA-N 1 1 343.402 0.894 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+]Cc2nc(C3CC3)no2)nn1 ZINC001167838392 750519518 /nfs/dbraw/zinc/51/95/18/750519518.db2.gz FCLWJLSJJQNZNI-UHFFFAOYSA-N 1 1 331.380 0.634 20 30 ECEDMO Cc1ccc(C#N)c(N(C)CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001105355748 750529983 /nfs/dbraw/zinc/52/99/83/750529983.db2.gz ZKQBJUWAWDPFTK-OAHLLOKOSA-N 1 1 331.420 0.487 20 30 ECEDMO Cc1ccc(C#N)c(N(C)CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001105355748 750529984 /nfs/dbraw/zinc/52/99/84/750529984.db2.gz ZKQBJUWAWDPFTK-OAHLLOKOSA-N 1 1 331.420 0.487 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)[nH]3)[C@@H]2C)nn1 ZINC000987171598 750545470 /nfs/dbraw/zinc/54/54/70/750545470.db2.gz XGJVBSSEWYPRNZ-WCQYABFASA-N 1 1 344.423 0.674 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnon3)[C@H]2C)nn1 ZINC000987165491 750559165 /nfs/dbraw/zinc/55/91/65/750559165.db2.gz DUAIIDAJJMBITB-YPMHNXCESA-N 1 1 331.380 0.630 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccn[nH]2)C1 ZINC001005724824 750559989 /nfs/dbraw/zinc/55/99/89/750559989.db2.gz QHFRJRZWCMJKOL-DOMZBBRYSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccn[nH]2)C1 ZINC001005724824 750559990 /nfs/dbraw/zinc/55/99/90/750559990.db2.gz QHFRJRZWCMJKOL-DOMZBBRYSA-N 1 1 329.404 0.084 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3nnn(C)n3)C2)c1 ZINC000981332140 750591623 /nfs/dbraw/zinc/59/16/23/750591623.db2.gz ZZBJNBLTUWXJNF-CABCVRRESA-N 1 1 339.403 0.417 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CCN2CCCC2=O)CC1 ZINC000981365644 750628298 /nfs/dbraw/zinc/62/82/98/750628298.db2.gz SEYLTPSNOKWGHC-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000981369726 750633083 /nfs/dbraw/zinc/63/30/83/750633083.db2.gz IOGDAHNFJKJGBM-MELADBBJSA-N 1 1 343.431 0.853 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088549860 750633635 /nfs/dbraw/zinc/63/36/35/750633635.db2.gz GOAICLXBDKIZBZ-ICCXJUOJSA-N 1 1 334.401 0.807 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088549860 750633638 /nfs/dbraw/zinc/63/36/38/750633638.db2.gz GOAICLXBDKIZBZ-ICCXJUOJSA-N 1 1 334.401 0.807 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001005871348 750748794 /nfs/dbraw/zinc/74/87/94/750748794.db2.gz RAKVYJNQQZJRSL-BLLLJJGKSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCC[N@@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000981543708 750794007 /nfs/dbraw/zinc/79/40/07/750794007.db2.gz CPDZBYNOHYPGRU-UHFFFAOYSA-N 1 1 327.406 0.651 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001005929226 750812883 /nfs/dbraw/zinc/81/28/83/750812883.db2.gz UOYLDEWONRQYED-STQMWFEESA-N 1 1 343.431 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2cnc3sccn3c2=O)CC1 ZINC000981575913 750816618 /nfs/dbraw/zinc/81/66/18/750816618.db2.gz XIGQZLJTPATDPB-UHFFFAOYSA-N 1 1 330.413 0.927 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC000981625007 750897695 /nfs/dbraw/zinc/89/76/95/750897695.db2.gz GEQVZQGZTCWFNR-GUTXKFCHSA-N 1 1 345.403 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC000981625007 750897699 /nfs/dbraw/zinc/89/76/99/750897699.db2.gz GEQVZQGZTCWFNR-GUTXKFCHSA-N 1 1 345.403 0.182 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCC3(CN(C(=O)CC(N)=O)C3)C2)c1 ZINC000981679624 750963604 /nfs/dbraw/zinc/96/36/04/750963604.db2.gz TYQXNLLRBPQTBQ-UHFFFAOYSA-N 1 1 326.400 0.858 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC[NH+](CC(=O)NC3CC3)CC2)nn1 ZINC001006103837 751018553 /nfs/dbraw/zinc/01/85/53/751018553.db2.gz NUTVWIQSNPBDDA-UHFFFAOYSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)CC(C)(C)O)C3)C2)C1=O ZINC000981738779 751029661 /nfs/dbraw/zinc/02/96/61/751029661.db2.gz GIROSLDOZGQRKR-OAHLLOKOSA-N 1 1 349.475 0.859 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)c3cnon3)CC2)C1=O ZINC001006169429 751086051 /nfs/dbraw/zinc/08/60/51/751086051.db2.gz KKVXTCJIPUIUBQ-CQSZACIVSA-N 1 1 333.392 0.393 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1=O ZINC000981790530 751106581 /nfs/dbraw/zinc/10/65/81/751106581.db2.gz YNEIXWWENZNYCG-XUWVNRHRSA-N 1 1 333.432 0.200 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1=O ZINC000981790530 751106583 /nfs/dbraw/zinc/10/65/83/751106583.db2.gz YNEIXWWENZNYCG-XUWVNRHRSA-N 1 1 333.432 0.200 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cc[nH]c2)C1 ZINC001006228292 751133441 /nfs/dbraw/zinc/13/34/41/751133441.db2.gz HWZOANJEIDCJBF-BBRMVZONSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cc[nH]c2)C1 ZINC001006228292 751133444 /nfs/dbraw/zinc/13/34/44/751133444.db2.gz HWZOANJEIDCJBF-BBRMVZONSA-N 1 1 328.416 0.689 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCn3cncn3)C2)nn1 ZINC001105358183 751146436 /nfs/dbraw/zinc/14/64/36/751146436.db2.gz SPGAOSHXSAVNOI-UHFFFAOYSA-N 1 1 330.396 0.009 20 30 ECEDMO C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001098514284 751170637 /nfs/dbraw/zinc/17/06/37/751170637.db2.gz NLKMNEDNFWUWPB-UHFFFAOYSA-N 1 1 348.447 0.979 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001028138566 751182135 /nfs/dbraw/zinc/18/21/35/751182135.db2.gz YZMJEZFOTFTZBI-AWEZNQCLSA-N 1 1 330.432 0.741 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001028140129 751191996 /nfs/dbraw/zinc/19/19/96/751191996.db2.gz JDZMOPKLZAGMTI-BBWFWOEESA-N 1 1 325.412 0.740 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001028140129 751191997 /nfs/dbraw/zinc/19/19/97/751191997.db2.gz JDZMOPKLZAGMTI-BBWFWOEESA-N 1 1 325.412 0.740 20 30 ECEDMO N#Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)c2ccn[nH]2)CCO1 ZINC001051453653 762105619 /nfs/dbraw/zinc/10/56/19/762105619.db2.gz DOLOUDPNUOOARV-HNNXBMFYSA-N 1 1 325.372 0.912 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901184 751257589 /nfs/dbraw/zinc/25/75/89/751257589.db2.gz DJHBLDIEBVQYTL-KOHRHEQBSA-N 1 1 331.460 0.960 20 30 ECEDMO C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901184 751257592 /nfs/dbraw/zinc/25/75/92/751257592.db2.gz DJHBLDIEBVQYTL-KOHRHEQBSA-N 1 1 331.460 0.960 20 30 ECEDMO C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901184 751257596 /nfs/dbraw/zinc/25/75/96/751257596.db2.gz DJHBLDIEBVQYTL-KOHRHEQBSA-N 1 1 331.460 0.960 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@H]3CCCN(C)C3=O)CC2)c1 ZINC000981922901 751269774 /nfs/dbraw/zinc/26/97/74/751269774.db2.gz CYADAADJYDGURC-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@H]3CCCN(C)C3=O)CC2)c1 ZINC000981922901 751269780 /nfs/dbraw/zinc/26/97/80/751269780.db2.gz CYADAADJYDGURC-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001059909753 752400235 /nfs/dbraw/zinc/40/02/35/752400235.db2.gz CAECZMKDDLTMKA-UKRRQHHQSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001212034270 752423330 /nfs/dbraw/zinc/42/33/30/752423330.db2.gz UEAUJQNXZNDAPO-BZUAXINKSA-N 1 1 342.436 0.200 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)NC(=O)CC)C2)nn1 ZINC001098677918 752434480 /nfs/dbraw/zinc/43/44/80/752434480.db2.gz ABQOGDHKSNZVKS-HIFRSBDPSA-N 1 1 348.451 0.632 20 30 ECEDMO C=C(Cl)CNCc1cn(C2CN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001105366610 752464321 /nfs/dbraw/zinc/46/43/21/752464321.db2.gz ZWLDMXGJUUSQBW-UHFFFAOYSA-N 1 1 340.859 0.845 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001007519402 752475880 /nfs/dbraw/zinc/47/58/80/752475880.db2.gz QIOAJIQVNGJQEH-MSOLQXFVSA-N 1 1 343.475 0.907 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC001007519402 752475884 /nfs/dbraw/zinc/47/58/84/752475884.db2.gz QIOAJIQVNGJQEH-MSOLQXFVSA-N 1 1 343.475 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000982491475 752489980 /nfs/dbraw/zinc/48/99/80/752489980.db2.gz NFLDVECBTRZDIR-ZFWWWQNUSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000982491475 752489989 /nfs/dbraw/zinc/48/99/89/752489989.db2.gz NFLDVECBTRZDIR-ZFWWWQNUSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)CC)C2)C1 ZINC001007541514 752499548 /nfs/dbraw/zinc/49/95/48/752499548.db2.gz BPQOPXPCOCYUPD-YJBOKZPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)CC)C2)C1 ZINC001007541514 752499551 /nfs/dbraw/zinc/49/95/51/752499551.db2.gz BPQOPXPCOCYUPD-YJBOKZPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)CCC)C2)C1 ZINC001007566136 752546529 /nfs/dbraw/zinc/54/65/29/752546529.db2.gz GOLHGGNBKOPXFU-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)CCC)C2)C1 ZINC001007566136 752546531 /nfs/dbraw/zinc/54/65/31/752546531.db2.gz GOLHGGNBKOPXFU-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000937845448 752555211 /nfs/dbraw/zinc/55/52/11/752555211.db2.gz XRMQUHMGSCRRBB-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3snnc3C)C2)C1=O ZINC001028399989 752556669 /nfs/dbraw/zinc/55/66/69/752556669.db2.gz HOJQVGYXZIQWMT-OLZOCXBDSA-N 1 1 349.460 0.685 20 30 ECEDMO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1COCCO1 ZINC001028412944 752584742 /nfs/dbraw/zinc/58/47/42/752584742.db2.gz TZDIEESZZXGTPV-QZTJIDSGSA-N 1 1 328.412 0.892 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001028413042 752585303 /nfs/dbraw/zinc/58/53/03/752585303.db2.gz VKPREQSRHKRQDQ-VXGBXAGGSA-N 1 1 333.226 0.749 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001028413042 752585307 /nfs/dbraw/zinc/58/53/07/752585307.db2.gz VKPREQSRHKRQDQ-VXGBXAGGSA-N 1 1 333.226 0.749 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001028420560 752591810 /nfs/dbraw/zinc/59/18/10/752591810.db2.gz MBAXGVVFGYAXSK-YOEHRIQHSA-N 1 1 329.400 0.912 20 30 ECEDMO N#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC2CC2)[nH]1 ZINC001021232764 752683345 /nfs/dbraw/zinc/68/33/45/752683345.db2.gz GFMKBVAANRAIKO-GOOCMWNKSA-N 1 1 341.415 0.890 20 30 ECEDMO N#Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)c[nH]1 ZINC001021234495 752685355 /nfs/dbraw/zinc/68/53/55/752685355.db2.gz OINFIJVALZZBPZ-WDVRLDOZSA-N 1 1 341.415 0.890 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001021236218 752691241 /nfs/dbraw/zinc/69/12/41/752691241.db2.gz YMPGSPYAIYEDAD-NUEKZKHPSA-N 1 1 341.415 0.653 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000938036450 752705125 /nfs/dbraw/zinc/70/51/25/752705125.db2.gz KLLPVMNHZQKIIB-KWCYVHTRSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001075922061 752741852 /nfs/dbraw/zinc/74/18/52/752741852.db2.gz BYUPFQVXIOERRR-LSDHHAIUSA-N 1 1 341.452 0.309 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001075922061 752741854 /nfs/dbraw/zinc/74/18/54/752741854.db2.gz BYUPFQVXIOERRR-LSDHHAIUSA-N 1 1 341.452 0.309 20 30 ECEDMO COc1cncc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028468302 752764318 /nfs/dbraw/zinc/76/43/18/752764318.db2.gz SASYAIULTZWAKF-GFCCVEGCSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1cncc(C[N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028468302 752764321 /nfs/dbraw/zinc/76/43/21/752764321.db2.gz SASYAIULTZWAKF-GFCCVEGCSA-N 1 1 340.387 0.937 20 30 ECEDMO CCn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028471116 752773378 /nfs/dbraw/zinc/77/33/78/752773378.db2.gz RCOBEXLXZKGLSQ-LBPRGKRZSA-N 1 1 327.392 0.750 20 30 ECEDMO CCn1nncc1C[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028471116 752773382 /nfs/dbraw/zinc/77/33/82/752773382.db2.gz RCOBEXLXZKGLSQ-LBPRGKRZSA-N 1 1 327.392 0.750 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001007685254 752786264 /nfs/dbraw/zinc/78/62/64/752786264.db2.gz OLZSZZZOMBDEJH-KXBFYZLASA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccns2)C1 ZINC000938063406 752801452 /nfs/dbraw/zinc/80/14/52/752801452.db2.gz FDCOMTRJYRPMEN-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccns2)C1 ZINC000938063406 752801456 /nfs/dbraw/zinc/80/14/56/752801456.db2.gz FDCOMTRJYRPMEN-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001028490329 752831042 /nfs/dbraw/zinc/83/10/42/752831042.db2.gz KEWAYJYHTJSLBX-ROUUACIJSA-N 1 1 342.443 0.827 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028491866 752835609 /nfs/dbraw/zinc/83/56/09/752835609.db2.gz PHLNJFCEVDSTAJ-CJNGLKHVSA-N 1 1 341.415 0.725 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028491868 752836303 /nfs/dbraw/zinc/83/63/03/752836303.db2.gz PHLNJFCEVDSTAJ-XJKSGUPXSA-N 1 1 341.415 0.725 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028492047 752837204 /nfs/dbraw/zinc/83/72/04/752837204.db2.gz WTZYMEZOLXCZKD-NEPJUHHUSA-N 1 1 329.404 0.605 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3cnn(C)n3)C[C@@]2(C)C1 ZINC000982561230 752897665 /nfs/dbraw/zinc/89/76/65/752897665.db2.gz UMPRIFLTNNVDJH-HDICACEKSA-N 1 1 329.448 0.941 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001059931295 752900366 /nfs/dbraw/zinc/90/03/66/752900366.db2.gz PPNRBEZCOGGVFW-UONOGXRCSA-N 1 1 328.420 0.633 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001007773946 752921276 /nfs/dbraw/zinc/92/12/76/752921276.db2.gz GZOZMBBBALIZEN-LLVKDONJSA-N 1 1 325.390 0.145 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001028506203 752958572 /nfs/dbraw/zinc/95/85/72/752958572.db2.gz WLIUURICVVBAKW-GFCCVEGCSA-N 1 1 344.253 0.811 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001028506203 752958575 /nfs/dbraw/zinc/95/85/75/752958575.db2.gz WLIUURICVVBAKW-GFCCVEGCSA-N 1 1 344.253 0.811 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3nccn3CC)C2)C1=O ZINC001028510400 752992323 /nfs/dbraw/zinc/99/23/23/752992323.db2.gz ASFWHRYEPMYKJE-CABCVRRESA-N 1 1 345.447 0.742 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001077457329 762175715 /nfs/dbraw/zinc/17/57/15/762175715.db2.gz KDPOLLCRSBQREG-FVQBIDKESA-N 1 1 348.447 0.665 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001028518173 753012189 /nfs/dbraw/zinc/01/21/89/753012189.db2.gz PYMHNIRQSHIOJL-SNVBAGLBSA-N 1 1 328.214 0.775 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001028518173 753012196 /nfs/dbraw/zinc/01/21/96/753012196.db2.gz PYMHNIRQSHIOJL-SNVBAGLBSA-N 1 1 328.214 0.775 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn(C)c(=O)n(C)c3=O)C[C@@]2(C)C1 ZINC000982609198 753019416 /nfs/dbraw/zinc/01/94/16/753019416.db2.gz FLTWCRUIYQZXNX-HDICACEKSA-N 1 1 346.431 0.054 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001126378247 753063270 /nfs/dbraw/zinc/06/32/70/753063270.db2.gz JXGRPIUKJVZZEU-KRWDZBQOSA-N 1 1 329.404 0.800 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccc(=O)[nH]c3)C2)nn1 ZINC001105370224 753099147 /nfs/dbraw/zinc/09/91/47/753099147.db2.gz YZKLDAZJHCEKCU-UHFFFAOYSA-N 1 1 328.376 0.742 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCCN(CCOC)c1ccc(C#N)nc1 ZINC001126381228 753126517 /nfs/dbraw/zinc/12/65/17/753126517.db2.gz ZNUDFBBHRZSGBZ-UHFFFAOYSA-N 1 1 333.436 0.864 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C ZINC001007972460 753155087 /nfs/dbraw/zinc/15/50/87/753155087.db2.gz VXHCYGAMZCGEEZ-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)NC[C@@](C)(O)c1cccs1 ZINC000261747322 753178678 /nfs/dbraw/zinc/17/86/78/753178678.db2.gz NBZDQJFIXZRSKD-CZUORRHYSA-N 1 1 339.509 0.366 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001008028605 753214231 /nfs/dbraw/zinc/21/42/31/753214231.db2.gz ZUBNROPVJRGATL-KURKYZTESA-N 1 1 349.475 0.470 20 30 ECEDMO COCC[N@H+](CCC(=O)OC)CC(=O)NC1(C#N)CCCCC1 ZINC000322105873 753228392 /nfs/dbraw/zinc/22/83/92/753228392.db2.gz TZKAOTIJPIXPJX-UHFFFAOYSA-N 1 1 325.409 0.841 20 30 ECEDMO COCC[N@@H+](CCC(=O)OC)CC(=O)NC1(C#N)CCCCC1 ZINC000322105873 753228397 /nfs/dbraw/zinc/22/83/97/753228397.db2.gz TZKAOTIJPIXPJX-UHFFFAOYSA-N 1 1 325.409 0.841 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000982658239 753231817 /nfs/dbraw/zinc/23/18/17/753231817.db2.gz UQELCGYEGBQOKO-QWHCGFSZSA-N 1 1 329.404 0.416 20 30 ECEDMO CN1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001051492641 762197391 /nfs/dbraw/zinc/19/73/91/762197391.db2.gz AZJTYGNBJNEYFI-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1 ZINC001008065987 753264489 /nfs/dbraw/zinc/26/44/89/753264489.db2.gz QIWRGGYUUVTOOU-IUODEOHRSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2noc3c2COCC3)C1 ZINC001051494834 762206611 /nfs/dbraw/zinc/20/66/11/762206611.db2.gz NRAZERMQSYURDZ-NWDGAFQWSA-N 1 1 334.376 0.224 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000982676074 753294202 /nfs/dbraw/zinc/29/42/02/753294202.db2.gz HVWWIWGVFVRMTO-HOCLYGCPSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000982676074 753294207 /nfs/dbraw/zinc/29/42/07/753294207.db2.gz HVWWIWGVFVRMTO-HOCLYGCPSA-N 1 1 344.415 0.659 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001008122779 753340273 /nfs/dbraw/zinc/34/02/73/753340273.db2.gz MRISKHGZGRNRLR-UKRRQHHQSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001008122779 753340275 /nfs/dbraw/zinc/34/02/75/753340275.db2.gz MRISKHGZGRNRLR-UKRRQHHQSA-N 1 1 331.420 0.699 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001051495095 762207584 /nfs/dbraw/zinc/20/75/84/762207584.db2.gz QPFHYVFRVWGRMU-DGCLKSJQSA-N 1 1 332.408 0.169 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C)cn1 ZINC000989159839 753392774 /nfs/dbraw/zinc/39/27/74/753392774.db2.gz VECUHDRYZDBPBH-XOKHGSTOSA-N 1 1 340.427 0.876 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001008174307 753419693 /nfs/dbraw/zinc/41/96/93/753419693.db2.gz BRHPNUVHVTYGOV-IAGOWNOFSA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001008174307 753419695 /nfs/dbraw/zinc/41/96/95/753419695.db2.gz BRHPNUVHVTYGOV-IAGOWNOFSA-N 1 1 340.427 0.642 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1 ZINC001008179853 753429795 /nfs/dbraw/zinc/42/97/95/753429795.db2.gz XYOBYHDLHHVHHM-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001008206162 753462098 /nfs/dbraw/zinc/46/20/98/753462098.db2.gz DGSMUTNYSCGBDW-HZPDHXFCSA-N 1 1 347.459 0.474 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001008206162 753462100 /nfs/dbraw/zinc/46/21/00/753462100.db2.gz DGSMUTNYSCGBDW-HZPDHXFCSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)[C@H]2CCOC2)C(C)(C)C1 ZINC001008214625 753471840 /nfs/dbraw/zinc/47/18/40/753471840.db2.gz FHRJFGGOUWNEPU-JYJNAYRXSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)[C@H]2CCOC2)C(C)(C)C1 ZINC001008214625 753471845 /nfs/dbraw/zinc/47/18/45/753471845.db2.gz FHRJFGGOUWNEPU-JYJNAYRXSA-N 1 1 347.459 0.474 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2nc(C#N)c(Cl)s2)C1 ZINC001105852989 762222381 /nfs/dbraw/zinc/22/23/81/762222381.db2.gz DNEPAMVWHDTLNS-DTWKUNHWSA-N 1 1 343.840 0.509 20 30 ECEDMO C#CCCCC(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101217986 753676123 /nfs/dbraw/zinc/67/61/23/753676123.db2.gz NTHULGUHNNLJQN-ZBFHGGJFSA-N 1 1 341.477 0.119 20 30 ECEDMO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCCS3(=O)=O)C2)C1 ZINC001040232089 753676540 /nfs/dbraw/zinc/67/65/40/753676540.db2.gz LNADAROTZMIWSW-MRXNPFEDSA-N 1 1 341.477 0.522 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)nn1 ZINC001098685959 753800952 /nfs/dbraw/zinc/80/09/52/753800952.db2.gz VRYDAIQLGUAQDD-ZFWWWQNUSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)cc(=O)[nH]c3C)C2)nn1 ZINC001105375792 753827253 /nfs/dbraw/zinc/82/72/53/753827253.db2.gz OQUCSKPKAQPXJB-UHFFFAOYSA-N 1 1 342.403 0.968 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3cncc(C(N)=O)c3)C[C@@]2(C)C1 ZINC000982815907 753838041 /nfs/dbraw/zinc/83/80/41/753838041.db2.gz AFMGWFPXUWFYIP-KDURUIRLSA-N 1 1 340.427 0.988 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cncc(C(N)=O)c3)C[C@@]2(C)C1 ZINC000982816740 753840376 /nfs/dbraw/zinc/84/03/76/753840376.db2.gz KCTKWPDBWXPIPZ-KDURUIRLSA-N 1 1 340.427 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nccc(C)n2)C1 ZINC001028602119 753884449 /nfs/dbraw/zinc/88/44/49/753884449.db2.gz XGUKISQCMSOBJQ-IRXDYDNUSA-N 1 1 341.459 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nccc(C)n2)C1 ZINC001028602119 753884454 /nfs/dbraw/zinc/88/44/54/753884454.db2.gz XGUKISQCMSOBJQ-IRXDYDNUSA-N 1 1 341.459 0.821 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@]3(C)C[N@@H+](C[C@@H](C)O)C[C@]3(C)C2)CC1 ZINC000982831344 753885075 /nfs/dbraw/zinc/88/50/75/753885075.db2.gz KGMORPASNGMQHJ-AHRSYUTCSA-N 1 1 347.503 0.883 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@]3(C)C[N@H+](C[C@@H](C)O)C[C@]3(C)C2)CC1 ZINC000982831344 753885084 /nfs/dbraw/zinc/88/50/84/753885084.db2.gz KGMORPASNGMQHJ-AHRSYUTCSA-N 1 1 347.503 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000982836593 753907256 /nfs/dbraw/zinc/90/72/56/753907256.db2.gz OBMCLPONABSNKT-WBVHZDCISA-N 1 1 342.443 0.620 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000982836593 753907260 /nfs/dbraw/zinc/90/72/60/753907260.db2.gz OBMCLPONABSNKT-WBVHZDCISA-N 1 1 342.443 0.620 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001028611638 753919969 /nfs/dbraw/zinc/91/99/69/753919969.db2.gz GGRKCFGFDCEVIA-JSGCOSHPSA-N 1 1 345.403 0.021 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001028612991 753925122 /nfs/dbraw/zinc/92/51/22/753925122.db2.gz MAPYHCCDZYZKBS-OLZOCXBDSA-N 1 1 347.419 0.262 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001008575051 753926975 /nfs/dbraw/zinc/92/69/75/753926975.db2.gz ONKNVFFGKCUBKI-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001075942468 753931297 /nfs/dbraw/zinc/93/12/97/753931297.db2.gz ISJMRUQOKKDJEC-XHSDSOJGSA-N 1 1 334.464 0.189 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccncc1C#N ZINC001105599217 753971371 /nfs/dbraw/zinc/97/13/71/753971371.db2.gz OLLWMAUUVQGVGY-KRWDZBQOSA-N 1 1 325.416 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccncc1C#N ZINC001105599217 753971377 /nfs/dbraw/zinc/97/13/77/753971377.db2.gz OLLWMAUUVQGVGY-KRWDZBQOSA-N 1 1 325.416 0.945 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001008800141 754131522 /nfs/dbraw/zinc/13/15/22/754131522.db2.gz NXWBRBUTAPHRDT-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001008800141 754131525 /nfs/dbraw/zinc/13/15/25/754131525.db2.gz NXWBRBUTAPHRDT-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001028640596 754146396 /nfs/dbraw/zinc/14/63/96/754146396.db2.gz RKUYGQNQENCZKM-ZDUSSCGKSA-N 1 1 327.388 0.813 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2nc3nc(C)cc(C)n3n2)CC1 ZINC000989603792 754178542 /nfs/dbraw/zinc/17/85/42/754178542.db2.gz HPDFJKSHGGEFKV-UHFFFAOYSA-N 1 1 326.404 0.912 20 30 ECEDMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)c1nncn1C ZINC001051524591 762276152 /nfs/dbraw/zinc/27/61/52/762276152.db2.gz VZTHCWRGHYMSNU-YPMHNXCESA-N 1 1 343.391 0.207 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccon2)C1 ZINC000982923036 754205327 /nfs/dbraw/zinc/20/53/27/754205327.db2.gz NMFNFMRKOBDCAB-HIFRSBDPSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccon2)C1 ZINC000982923036 754205331 /nfs/dbraw/zinc/20/53/31/754205331.db2.gz NMFNFMRKOBDCAB-HIFRSBDPSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2[nH]cnc2C)C1 ZINC000982923556 754205907 /nfs/dbraw/zinc/20/59/07/754205907.db2.gz QBWGVXYMSZWCGF-CABCVRRESA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2[nH]cnc2C)C1 ZINC000982923556 754205913 /nfs/dbraw/zinc/20/59/13/754205913.db2.gz QBWGVXYMSZWCGF-CABCVRRESA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC000982923814 754207038 /nfs/dbraw/zinc/20/70/38/754207038.db2.gz RKROEXOTYLLZJJ-CABCVRRESA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC000982923814 754207042 /nfs/dbraw/zinc/20/70/42/754207042.db2.gz RKROEXOTYLLZJJ-CABCVRRESA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000982923586 754207388 /nfs/dbraw/zinc/20/73/88/754207388.db2.gz QRWSTNRKPCDXDM-HOCLYGCPSA-N 1 1 328.416 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000982923586 754207393 /nfs/dbraw/zinc/20/73/93/754207393.db2.gz QRWSTNRKPCDXDM-HOCLYGCPSA-N 1 1 328.416 0.691 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2coc(C)n2)C1 ZINC000982924489 754210876 /nfs/dbraw/zinc/21/08/76/754210876.db2.gz XYMWVIGEHPLECX-ZBFHGGJFSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2coc(C)n2)C1 ZINC000982924489 754210881 /nfs/dbraw/zinc/21/08/81/754210881.db2.gz XYMWVIGEHPLECX-ZBFHGGJFSA-N 1 1 344.415 0.659 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000982959724 754285757 /nfs/dbraw/zinc/28/57/57/754285757.db2.gz UCZHNQNHPHJQBA-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001008904361 754288342 /nfs/dbraw/zinc/28/83/42/754288342.db2.gz JWVVSHKYVDRFQL-JONQDZQNSA-N 1 1 349.475 0.740 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001008904361 754288343 /nfs/dbraw/zinc/28/83/43/754288343.db2.gz JWVVSHKYVDRFQL-JONQDZQNSA-N 1 1 349.475 0.740 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000983009299 754415583 /nfs/dbraw/zinc/41/55/83/754415583.db2.gz KXELDXJOBIVWLL-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CC(C)(C)C)C1 ZINC001149182012 754422859 /nfs/dbraw/zinc/42/28/59/754422859.db2.gz LMNQIUUUYLQNOC-HUUCEWRRSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CC(C)(C)C)C1 ZINC001149182012 754422864 /nfs/dbraw/zinc/42/28/64/754422864.db2.gz LMNQIUUUYLQNOC-HUUCEWRRSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001009016225 754431605 /nfs/dbraw/zinc/43/16/05/754431605.db2.gz NRDUTWYHJPLEAY-CABCVRRESA-N 1 1 331.420 0.532 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001009016230 754431712 /nfs/dbraw/zinc/43/17/12/754431712.db2.gz NRDUTWYHJPLEAY-LSDHHAIUSA-N 1 1 331.420 0.532 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3nonc3C)C2)C1=O ZINC001009035022 754460743 /nfs/dbraw/zinc/46/07/43/754460743.db2.gz AUCJUTZPBZBEKB-DZGCQCFKSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3nonc3C)C2)C1=O ZINC001009035022 754460748 /nfs/dbraw/zinc/46/07/48/754460748.db2.gz AUCJUTZPBZBEKB-DZGCQCFKSA-N 1 1 347.419 0.288 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]CCn3cccn3)C[C@H]2C)CC1 ZINC000989828771 754498499 /nfs/dbraw/zinc/49/84/99/754498499.db2.gz IPAWCURUHCIMRD-AEFFLSMTSA-N 1 1 343.475 0.807 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001028671713 754541328 /nfs/dbraw/zinc/54/13/28/754541328.db2.gz PCDBVTAPIQCJFB-AWEZNQCLSA-N 1 1 329.400 0.626 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001060008177 754697940 /nfs/dbraw/zinc/69/79/40/754697940.db2.gz UQWWLMKAXVMPOZ-WMLDXEAASA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001060008177 754697943 /nfs/dbraw/zinc/69/79/43/754697943.db2.gz UQWWLMKAXVMPOZ-WMLDXEAASA-N 1 1 343.431 0.934 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCN(C)C3=O)C2)nc1 ZINC001009269429 754725687 /nfs/dbraw/zinc/72/56/87/754725687.db2.gz ODZYQNDYGMMEQM-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)nc1 ZINC001009269429 754725689 /nfs/dbraw/zinc/72/56/89/754725689.db2.gz ODZYQNDYGMMEQM-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001009273301 754729963 /nfs/dbraw/zinc/72/99/63/754729963.db2.gz FDOZXHDHXWDAQS-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001009273301 754729968 /nfs/dbraw/zinc/72/99/68/754729968.db2.gz FDOZXHDHXWDAQS-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccsc2)C1 ZINC000990125586 754748653 /nfs/dbraw/zinc/74/86/53/754748653.db2.gz FVQFJGCCAXVZIN-HNNXBMFYSA-N 1 1 331.441 0.715 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccsc2)C1 ZINC000990125586 754748655 /nfs/dbraw/zinc/74/86/55/754748655.db2.gz FVQFJGCCAXVZIN-HNNXBMFYSA-N 1 1 331.441 0.715 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001028711905 754793637 /nfs/dbraw/zinc/79/36/37/754793637.db2.gz IMUHDKYUERKZTE-UONOGXRCSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001028711907 754793720 /nfs/dbraw/zinc/79/37/20/754793720.db2.gz IMUHDKYUERKZTE-ZIAGYGMSSA-N 1 1 329.391 0.414 20 30 ECEDMO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)no1 ZINC001051558509 762337721 /nfs/dbraw/zinc/33/77/21/762337721.db2.gz NIPRZYDNZDXVPO-CQSZACIVSA-N 1 1 329.360 0.814 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)c(F)c1 ZINC001028735441 754917714 /nfs/dbraw/zinc/91/77/14/754917714.db2.gz MLTXMCYSJVCPMU-DZGCQCFKSA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)ccc1F ZINC001028735714 754918146 /nfs/dbraw/zinc/91/81/46/754918146.db2.gz QQGKMUYWBLMEEZ-DZGCQCFKSA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)ccc1F ZINC001028735715 754918501 /nfs/dbraw/zinc/91/85/01/754918501.db2.gz QQGKMUYWBLMEEZ-HIFRSBDPSA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001028737036 754928223 /nfs/dbraw/zinc/92/82/23/754928223.db2.gz MDRSIVPEUWGJDK-HZPDHXFCSA-N 1 1 326.400 0.632 20 30 ECEDMO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CNC(=O)N1 ZINC001028774620 755065812 /nfs/dbraw/zinc/06/58/12/755065812.db2.gz YEODDOSSWVOLAD-CVEARBPZSA-N 1 1 326.400 0.158 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(CCn3cccn3)C2)CC1 ZINC001009627842 755087379 /nfs/dbraw/zinc/08/73/79/755087379.db2.gz OGUIFDHDFHWKGI-GOSISDBHSA-N 1 1 343.475 0.809 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC001028792755 755141040 /nfs/dbraw/zinc/14/10/40/755141040.db2.gz MDHNBMPTTLGPOS-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001060034940 755169402 /nfs/dbraw/zinc/16/94/02/755169402.db2.gz VCXULEFJVVERAG-KGLIPLIRSA-N 1 1 328.420 0.372 20 30 ECEDMO CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]nnc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105647427 755173614 /nfs/dbraw/zinc/17/36/14/755173614.db2.gz QYBPJCNZUOYVSB-SZXPJGKVSA-N 1 1 345.447 0.716 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)nn1 ZINC001098689691 755182092 /nfs/dbraw/zinc/18/20/92/755182092.db2.gz AFKDFPRAPUJXIB-INIZCTEOSA-N 1 1 343.435 0.841 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001028807840 755194779 /nfs/dbraw/zinc/19/47/79/755194779.db2.gz UMVFPZQGKPGVAE-XHSDSOJGSA-N 1 1 326.400 0.618 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001028810316 755202440 /nfs/dbraw/zinc/20/24/40/755202440.db2.gz BFSRIPIZWXKBFA-GJZGRUSLSA-N 1 1 345.447 0.865 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC001078252761 782563031 /nfs/dbraw/zinc/56/30/31/782563031.db2.gz WTILGXAUWRCQEL-IAGOWNOFSA-N 1 1 329.400 0.468 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCOC)c1nccnc1C#N ZINC001126433449 755249328 /nfs/dbraw/zinc/24/93/28/755249328.db2.gz BZLGQOKZORNYBB-UHFFFAOYSA-N 1 1 348.451 0.648 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2ccnc(C#N)n2)C1 ZINC001060308229 762378625 /nfs/dbraw/zinc/37/86/25/762378625.db2.gz UVFUGQQAXJRFDB-HUUCEWRRSA-N 1 1 342.447 0.905 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC001078252761 782563022 /nfs/dbraw/zinc/56/30/22/782563022.db2.gz WTILGXAUWRCQEL-IAGOWNOFSA-N 1 1 329.400 0.468 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C2)nn1 ZINC001028853366 755313558 /nfs/dbraw/zinc/31/35/58/755313558.db2.gz TTZIGXKUOYZRGX-CQSZACIVSA-N 1 1 343.435 0.758 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)C2)nn1 ZINC001028853366 755313566 /nfs/dbraw/zinc/31/35/66/755313566.db2.gz TTZIGXKUOYZRGX-CQSZACIVSA-N 1 1 343.435 0.758 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001028853149 755315599 /nfs/dbraw/zinc/31/55/99/755315599.db2.gz QHRTYJNJPNUDJU-SNVBAGLBSA-N 1 1 329.326 0.909 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001028862642 755331735 /nfs/dbraw/zinc/33/17/35/755331735.db2.gz WLVHMEDLMMXGNL-GVDBMIGSSA-N 1 1 330.432 0.750 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001028918685 755477500 /nfs/dbraw/zinc/47/75/00/755477500.db2.gz LDGFRNQMQHZDTE-KGLIPLIRSA-N 1 1 344.415 0.587 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001028919536 755480675 /nfs/dbraw/zinc/48/06/75/755480675.db2.gz ZYIAOPAQDMISKX-KGLIPLIRSA-N 1 1 346.431 0.833 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)C1 ZINC001040263382 755489065 /nfs/dbraw/zinc/48/90/65/755489065.db2.gz DMWXITLZSFBBQH-HOCLYGCPSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nnc(-c4ccco4)n3)[C@@H]2C1 ZINC001075978358 755556227 /nfs/dbraw/zinc/55/62/27/755556227.db2.gz JHMWMAUGENVIHC-QWHCGFSZSA-N 1 1 326.360 0.099 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN3CCCC3=O)C2)s1 ZINC001010105469 755654602 /nfs/dbraw/zinc/65/46/02/755654602.db2.gz KXQUKUIXPXUYGE-LBPRGKRZSA-N 1 1 332.429 0.933 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCCC3=O)C2)s1 ZINC001010105469 755654608 /nfs/dbraw/zinc/65/46/08/755654608.db2.gz KXQUKUIXPXUYGE-LBPRGKRZSA-N 1 1 332.429 0.933 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088793772 755708855 /nfs/dbraw/zinc/70/88/55/755708855.db2.gz RHGGDTJHNFFDOH-XFJVYGCCSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088793772 755708857 /nfs/dbraw/zinc/70/88/57/755708857.db2.gz RHGGDTJHNFFDOH-XFJVYGCCSA-N 1 1 344.390 0.912 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@H]12 ZINC000990714911 755726377 /nfs/dbraw/zinc/72/63/77/755726377.db2.gz UMQMGJXNXUMVKM-LIRRHRJNSA-N 1 1 345.443 0.908 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(CC)c(CC)n[nH]c2=O)[C@@H](O)C1 ZINC001083501560 755745533 /nfs/dbraw/zinc/74/55/33/755745533.db2.gz SUVKIQOTVVWVES-KGLIPLIRSA-N 1 1 332.404 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C)n3C)C2)C1=O ZINC001010185555 755776611 /nfs/dbraw/zinc/77/66/11/755776611.db2.gz LNQQMRYMZNHVFU-HOCLYGCPSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)n3C)C2)C1=O ZINC001010185555 755776616 /nfs/dbraw/zinc/77/66/16/755776616.db2.gz LNQQMRYMZNHVFU-HOCLYGCPSA-N 1 1 330.432 0.925 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)[C@@H]2C1 ZINC001076002404 755777303 /nfs/dbraw/zinc/77/73/03/755777303.db2.gz WRSJJLQNHWXLRM-DOTOQJQBSA-N 1 1 344.459 0.931 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)[C@@H]2C1 ZINC001076002404 755777306 /nfs/dbraw/zinc/77/73/06/755777306.db2.gz WRSJJLQNHWXLRM-DOTOQJQBSA-N 1 1 344.459 0.931 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083526033 755918971 /nfs/dbraw/zinc/91/89/71/755918971.db2.gz XYTOCXUQYJFLJC-UXLLHSPISA-N 1 1 333.432 0.876 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC(F)(F)F)c2)[C@@H](O)C1 ZINC001083527305 755932643 /nfs/dbraw/zinc/93/26/43/755932643.db2.gz MJTVNKXMTZNFPQ-NEPJUHHUSA-N 1 1 332.326 0.796 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC(F)(F)F)c2)[C@@H](O)C1 ZINC001083527305 755932646 /nfs/dbraw/zinc/93/26/46/755932646.db2.gz MJTVNKXMTZNFPQ-NEPJUHHUSA-N 1 1 332.326 0.796 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001126916298 755981753 /nfs/dbraw/zinc/98/17/53/755981753.db2.gz SKKPLRAURHYICH-UHFFFAOYSA-N 1 1 332.330 0.491 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)[C@@H](O)C1 ZINC001083538060 755986222 /nfs/dbraw/zinc/98/62/22/755986222.db2.gz DYVOLGCRRXWLJJ-NCOADZHNSA-N 1 1 349.475 0.905 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001010341547 756024088 /nfs/dbraw/zinc/02/40/88/756024088.db2.gz HIAWGILXGOKHHJ-UKRRQHHQSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001010341547 756024093 /nfs/dbraw/zinc/02/40/93/756024093.db2.gz HIAWGILXGOKHHJ-UKRRQHHQSA-N 1 1 331.420 0.320 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)c1 ZINC001010459204 756154050 /nfs/dbraw/zinc/15/40/50/756154050.db2.gz XCNTVCMJYSXJQY-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)CC[NH+]1CCOCC1 ZINC001076177400 756176379 /nfs/dbraw/zinc/17/63/79/756176379.db2.gz ACKWBEKGDHAVPS-ZDUSSCGKSA-N 1 1 347.419 0.233 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cc1F ZINC001010497955 756184942 /nfs/dbraw/zinc/18/49/42/756184942.db2.gz QGHRCVTWLCRLRT-HIFRSBDPSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cc1F ZINC001010497955 756184945 /nfs/dbraw/zinc/18/49/45/756184945.db2.gz QGHRCVTWLCRLRT-HIFRSBDPSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001076220141 756224163 /nfs/dbraw/zinc/22/41/63/756224163.db2.gz QOKYHYGECRZNSX-BBRMVZONSA-N 1 1 341.415 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001076220141 756224165 /nfs/dbraw/zinc/22/41/65/756224165.db2.gz QOKYHYGECRZNSX-BBRMVZONSA-N 1 1 341.415 0.609 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)c1 ZINC001076223039 756233757 /nfs/dbraw/zinc/23/37/57/756233757.db2.gz FNKWEZLLTGRBGY-WMLDXEAASA-N 1 1 338.411 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)c1 ZINC001076223039 756233762 /nfs/dbraw/zinc/23/37/62/756233762.db2.gz FNKWEZLLTGRBGY-WMLDXEAASA-N 1 1 338.411 0.488 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001010578655 756268497 /nfs/dbraw/zinc/26/84/97/756268497.db2.gz GCHVVJKHXJUJRL-MRXNPFEDSA-N 1 1 329.444 0.945 20 30 ECEDMO CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051609330 762458144 /nfs/dbraw/zinc/45/81/44/762458144.db2.gz RNQIWTNDRIDLDX-OAHLLOKOSA-N 1 1 346.435 0.204 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@H]12 ZINC000991651451 762461142 /nfs/dbraw/zinc/46/11/42/762461142.db2.gz CSCRVNTXZGFHGM-GUYCJALGSA-N 1 1 332.404 0.638 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010696952 756411560 /nfs/dbraw/zinc/41/15/60/756411560.db2.gz UNNRPFWEGVLUDZ-WBVHZDCISA-N 1 1 346.406 0.718 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010696952 756411562 /nfs/dbraw/zinc/41/15/62/756411562.db2.gz UNNRPFWEGVLUDZ-WBVHZDCISA-N 1 1 346.406 0.718 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cc3nnn(C(C)(C)C)n3)CCC[C@@H]12 ZINC000990869052 756433457 /nfs/dbraw/zinc/43/34/57/756433457.db2.gz GRYCSCYTYAFCJE-DYVFJYSZSA-N 1 1 330.436 0.717 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)C1=O ZINC001010717709 756438234 /nfs/dbraw/zinc/43/82/34/756438234.db2.gz LNTRBAMREYBVBD-ZFWWWQNUSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)C1=O ZINC001010717709 756438239 /nfs/dbraw/zinc/43/82/39/756438239.db2.gz LNTRBAMREYBVBD-ZFWWWQNUSA-N 1 1 332.379 0.812 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001010744690 756472490 /nfs/dbraw/zinc/47/24/90/756472490.db2.gz MQVXEEWSKXULLQ-OAHLLOKOSA-N 1 1 348.447 0.319 20 30 ECEDMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083547839 756489766 /nfs/dbraw/zinc/48/97/66/756489766.db2.gz HCXXZYKRZBLAJT-KGLIPLIRSA-N 1 1 341.371 0.271 20 30 ECEDMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083547839 756489769 /nfs/dbraw/zinc/48/97/69/756489769.db2.gz HCXXZYKRZBLAJT-KGLIPLIRSA-N 1 1 341.371 0.271 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001010809499 756551211 /nfs/dbraw/zinc/55/12/11/756551211.db2.gz FIRITEBSQXIKGB-KGLIPLIRSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001010809499 756551212 /nfs/dbraw/zinc/55/12/12/756551212.db2.gz FIRITEBSQXIKGB-KGLIPLIRSA-N 1 1 331.420 0.494 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(=O)NC)nc3)[C@@H]2C1 ZINC001076472389 756558369 /nfs/dbraw/zinc/55/83/69/756558369.db2.gz CGTVPIMBNSKNSL-GOEBONIOSA-N 1 1 326.400 0.611 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)cn1 ZINC001076476992 756564032 /nfs/dbraw/zinc/56/40/32/756564032.db2.gz LHLHCVALVAQFSV-DUVNUKRYSA-N 1 1 326.400 0.344 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)cn1 ZINC001076476992 756564033 /nfs/dbraw/zinc/56/40/33/756564033.db2.gz LHLHCVALVAQFSV-DUVNUKRYSA-N 1 1 326.400 0.344 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001076507704 756578969 /nfs/dbraw/zinc/57/89/69/756578969.db2.gz SKOXVYVMWDMZLL-JYJNAYRXSA-N 1 1 337.464 0.768 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1COC(=O)N1 ZINC001010834002 756580759 /nfs/dbraw/zinc/58/07/59/756580759.db2.gz KAWGOMPRQITJRU-HUUCEWRRSA-N 1 1 347.802 0.990 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1COC(=O)N1 ZINC001010834002 756580762 /nfs/dbraw/zinc/58/07/62/756580762.db2.gz KAWGOMPRQITJRU-HUUCEWRRSA-N 1 1 347.802 0.990 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076503530 756586884 /nfs/dbraw/zinc/58/68/84/756586884.db2.gz MBEDBUUYBJUNMQ-LZWOXQAQSA-N 1 1 339.461 0.014 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001076548984 756643979 /nfs/dbraw/zinc/64/39/79/756643979.db2.gz PJNNKHKIQJSWHZ-MELADBBJSA-N 1 1 334.420 0.474 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccn(C)n4)[C@@H]3C2)C1=O ZINC001076570413 756673176 /nfs/dbraw/zinc/67/31/76/756673176.db2.gz NPBBDVAZFVWTTO-CWRNSKLLSA-N 1 1 343.431 0.353 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001010954659 756699332 /nfs/dbraw/zinc/69/93/32/756699332.db2.gz DLMHASTZCHJHHV-DFEHZGFQSA-N 1 1 332.448 0.937 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001051619254 762489067 /nfs/dbraw/zinc/48/90/67/762489067.db2.gz ITXYNMOGZUTWTP-OAGGEKHMSA-N 1 1 349.435 0.113 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011027876 756789826 /nfs/dbraw/zinc/78/98/26/756789826.db2.gz GOFNPFVKPPUUPP-IUODEOHRSA-N 1 1 329.404 0.368 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(OC)no2)CC1 ZINC001011030210 756794477 /nfs/dbraw/zinc/79/44/77/756794477.db2.gz HOLOCMHDDDWOPA-ZDUSSCGKSA-N 1 1 346.387 0.065 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(OC)no2)CC1 ZINC001011030210 756794480 /nfs/dbraw/zinc/79/44/80/756794480.db2.gz HOLOCMHDDDWOPA-ZDUSSCGKSA-N 1 1 346.387 0.065 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ccncc2C#N)C1 ZINC001060129900 756824903 /nfs/dbraw/zinc/82/49/03/756824903.db2.gz XLGGHZKOLZSTMS-NVXWUHKLSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ccncc2C#N)C1 ZINC001060129900 756824907 /nfs/dbraw/zinc/82/49/07/756824907.db2.gz XLGGHZKOLZSTMS-NVXWUHKLSA-N 1 1 343.431 0.759 20 30 ECEDMO CC#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001076770123 757031604 /nfs/dbraw/zinc/03/16/04/757031604.db2.gz HTNQFPUCEFWRLA-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO CC#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001076770123 757031613 /nfs/dbraw/zinc/03/16/13/757031613.db2.gz HTNQFPUCEFWRLA-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cn([C@H]4CCOC4)nc3C)C[C@H]2C1 ZINC001048821391 757105230 /nfs/dbraw/zinc/10/52/30/757105230.db2.gz YRMQHVMEQLOCBQ-XHSDSOJGSA-N 1 1 328.416 0.790 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001048828186 757124820 /nfs/dbraw/zinc/12/48/20/757124820.db2.gz HYLADKPVFMXXHJ-IKGGRYGDSA-N 1 1 347.459 0.304 20 30 ECEDMO CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)CC2(CCOCC2)C1 ZINC001099560331 757135553 /nfs/dbraw/zinc/13/55/53/757135553.db2.gz VKVMRWVMTBPCNH-AWEZNQCLSA-N 1 1 336.436 0.414 20 30 ECEDMO CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)CC2(CCOCC2)C1 ZINC001099560331 757135560 /nfs/dbraw/zinc/13/55/60/757135560.db2.gz VKVMRWVMTBPCNH-AWEZNQCLSA-N 1 1 336.436 0.414 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001011206452 757187219 /nfs/dbraw/zinc/18/72/19/757187219.db2.gz JQIPMGRYFLMKGC-CVEARBPZSA-N 1 1 346.431 0.844 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCn3ccnn3)nn2)C1 ZINC001107162487 757193423 /nfs/dbraw/zinc/19/34/23/757193423.db2.gz MPLHNSLIWYKFTB-UHFFFAOYSA-N 1 1 330.396 0.009 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]Cc3cnn(C)n3)C(C)(C)C2)c1 ZINC000996273031 757220033 /nfs/dbraw/zinc/22/00/33/757220033.db2.gz JQXCYNHMVZMWFW-MRXNPFEDSA-N 1 1 338.415 0.832 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1N(C(=O)[C@@H](C)C#N)CC2 ZINC001014344143 762530336 /nfs/dbraw/zinc/53/03/36/762530336.db2.gz UDKMGJIAPLBVMU-QEORTHHSSA-N 1 1 329.404 0.991 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cncn3C)C[C@@H]2C1 ZINC001048868907 757234182 /nfs/dbraw/zinc/23/41/82/757234182.db2.gz RCQPQOKSXYDNIS-JZXOWHBKSA-N 1 1 341.459 0.408 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O ZINC001076812268 757254762 /nfs/dbraw/zinc/25/47/62/757254762.db2.gz BQVFNXKPJFHPMO-BRWVUGGUSA-N 1 1 328.416 0.314 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cnc(C)o2)CC1 ZINC001011261578 757318371 /nfs/dbraw/zinc/31/83/71/757318371.db2.gz CILYPFNUZTYVOL-INIZCTEOSA-N 1 1 344.415 0.294 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cnc(C)o2)CC1 ZINC001011261578 757318383 /nfs/dbraw/zinc/31/83/83/757318383.db2.gz CILYPFNUZTYVOL-INIZCTEOSA-N 1 1 344.415 0.294 20 30 ECEDMO C=CCC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001107182972 757326342 /nfs/dbraw/zinc/32/63/42/757326342.db2.gz AQQMVOMUKHHKPQ-LLVKDONJSA-N 1 1 330.396 0.538 20 30 ECEDMO C#CCC1(C(=O)NCc2cn(C3C[NH+](CCCOC)C3)nn2)CCC1 ZINC001107178198 757333487 /nfs/dbraw/zinc/33/34/87/757333487.db2.gz LYCXJBZEOOMQPS-UHFFFAOYSA-N 1 1 345.447 0.981 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2c2ccnc(C#N)n2)C1 ZINC001060145398 757338491 /nfs/dbraw/zinc/33/84/91/757338491.db2.gz QMHFURGWFKFQHA-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cncs2)CC1 ZINC001011271233 757357951 /nfs/dbraw/zinc/35/79/51/757357951.db2.gz XBJLWRFCMUBXRE-HNNXBMFYSA-N 1 1 346.456 0.454 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cncs2)CC1 ZINC001011271233 757357964 /nfs/dbraw/zinc/35/79/64/757357964.db2.gz XBJLWRFCMUBXRE-HNNXBMFYSA-N 1 1 346.456 0.454 20 30 ECEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001048913372 757384794 /nfs/dbraw/zinc/38/47/94/757384794.db2.gz ZYWWSIMUDIHZGY-GJZGRUSLSA-N 1 1 348.447 0.824 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)c1 ZINC001076855827 757397486 /nfs/dbraw/zinc/39/74/86/757397486.db2.gz PBILDEWMKBPCOW-FVQBIDKESA-N 1 1 332.404 0.620 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@H]2C1 ZINC001048919218 757410857 /nfs/dbraw/zinc/41/08/57/757410857.db2.gz VIUIPLHLISBVRT-TXEJJXNPSA-N 1 1 339.417 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2onc(C)c2C)CC1 ZINC001011293845 757430759 /nfs/dbraw/zinc/43/07/59/757430759.db2.gz SEGYISZAGPDKEU-HNNXBMFYSA-N 1 1 344.415 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2onc(C)c2C)CC1 ZINC001011293845 757430760 /nfs/dbraw/zinc/43/07/60/757430760.db2.gz SEGYISZAGPDKEU-HNNXBMFYSA-N 1 1 344.415 0.673 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)cn1 ZINC001021440378 757448332 /nfs/dbraw/zinc/44/83/32/757448332.db2.gz ILZYCSQPJUCDOB-NPYXIHBLSA-N 1 1 338.411 0.677 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 ZINC001048940339 757471833 /nfs/dbraw/zinc/47/18/33/757471833.db2.gz IPGMVBLHLRYHME-QXSJWSMHSA-N 1 1 333.432 0.213 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@H]2C1 ZINC001048960818 757525129 /nfs/dbraw/zinc/52/51/29/757525129.db2.gz NRGRPJMCNYTLAU-QLFBSQMISA-N 1 1 343.418 0.919 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O)n1cncn1 ZINC001076904159 757551123 /nfs/dbraw/zinc/55/11/23/757551123.db2.gz JOFMHEBWHYEJQT-DAXOMENPSA-N 1 1 340.387 0.072 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O)n1cncn1 ZINC001076904159 757551132 /nfs/dbraw/zinc/55/11/32/757551132.db2.gz JOFMHEBWHYEJQT-DAXOMENPSA-N 1 1 340.387 0.072 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001105900352 762558487 /nfs/dbraw/zinc/55/84/87/762558487.db2.gz KIDODINOEOPSDN-MRXNPFEDSA-N 1 1 342.403 0.828 20 30 ECEDMO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)n1 ZINC001076907629 757565203 /nfs/dbraw/zinc/56/52/03/757565203.db2.gz WCXVSTWOXQVWSX-IAGOWNOFSA-N 1 1 339.399 0.873 20 30 ECEDMO Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)n1 ZINC001076907629 757565213 /nfs/dbraw/zinc/56/52/13/757565213.db2.gz WCXVSTWOXQVWSX-IAGOWNOFSA-N 1 1 339.399 0.873 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)c[nH]1 ZINC001076907452 757565232 /nfs/dbraw/zinc/56/52/32/757565232.db2.gz PIUJRZRLPZMZIU-UPJWGTAASA-N 1 1 340.330 0.085 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)c[nH]1 ZINC001076907452 757565242 /nfs/dbraw/zinc/56/52/42/757565242.db2.gz PIUJRZRLPZMZIU-UPJWGTAASA-N 1 1 340.330 0.085 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)COc3cnn(C)c3)nn2)C1 ZINC001107200084 757590228 /nfs/dbraw/zinc/59/02/28/757590228.db2.gz WRQCUURLESEYOE-UHFFFAOYSA-N 1 1 345.407 0.140 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001105900815 762562426 /nfs/dbraw/zinc/56/24/26/762562426.db2.gz WCHBYEWHZQMQFD-HNNXBMFYSA-N 1 1 342.403 0.828 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001076927105 757647241 /nfs/dbraw/zinc/64/72/41/757647241.db2.gz WPGGFAMLEKDGHO-HOTGVXAUSA-N 1 1 336.480 0.435 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@H]2C1 ZINC001049007546 757677577 /nfs/dbraw/zinc/67/75/77/757677577.db2.gz YJCVAAGIMZGGCT-KFWWJZLASA-N 1 1 329.448 0.886 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnc3n2CCOC3)C1 ZINC001021608949 757682837 /nfs/dbraw/zinc/68/28/37/757682837.db2.gz UKZJRQQUIHDUDJ-HUUCEWRRSA-N 1 1 328.416 0.973 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001021620114 757693541 /nfs/dbraw/zinc/69/35/41/757693541.db2.gz PREHLJSXUBBMHI-CABCVRRESA-N 1 1 333.436 0.471 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ccc(C#N)cn2)C1 ZINC001107211788 757702353 /nfs/dbraw/zinc/70/23/53/757702353.db2.gz ZEDXIYIOZDATFK-ABCZVMIZSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ccc(C#N)cn2)C1 ZINC001107211788 757702359 /nfs/dbraw/zinc/70/23/59/757702359.db2.gz ZEDXIYIOZDATFK-ABCZVMIZSA-N 1 1 329.404 0.758 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001049019499 757712617 /nfs/dbraw/zinc/71/26/17/757712617.db2.gz MMXINZHVRLTTDB-GJZGRUSLSA-N 1 1 337.464 0.550 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](OC)C(C)C)C[C@H]3C2)C1=O ZINC001049028970 757737505 /nfs/dbraw/zinc/73/75/05/757737505.db2.gz PEXGXQCNHAGNDS-YVSFHVDLSA-N 1 1 349.475 0.835 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001021689008 757786182 /nfs/dbraw/zinc/78/61/82/757786182.db2.gz UNCOWDDSHJQFJY-KBPBESRZSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(=O)n(CC)n2)C1 ZINC001021691875 757791118 /nfs/dbraw/zinc/79/11/18/757791118.db2.gz SBEUIEKPOXULKH-GDBMZVCRSA-N 1 1 328.416 0.823 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)nc3ccccc32)C1 ZINC001076983809 757836460 /nfs/dbraw/zinc/83/64/60/757836460.db2.gz ISWYWBBPIKOBQI-NVXWUHKLSA-N 1 1 326.400 0.529 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)nc3ccccc32)C1 ZINC001076983809 757836474 /nfs/dbraw/zinc/83/64/74/757836474.db2.gz ISWYWBBPIKOBQI-NVXWUHKLSA-N 1 1 326.400 0.529 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021712355 757847987 /nfs/dbraw/zinc/84/79/87/757847987.db2.gz IWJKBTORPMXYFD-HUUCEWRRSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccnc3nc(C)nn32)C1 ZINC001021715044 757854846 /nfs/dbraw/zinc/85/48/46/757854846.db2.gz ZPZGCWZLJOMFGF-HUUCEWRRSA-N 1 1 338.415 0.992 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021722830 757861655 /nfs/dbraw/zinc/86/16/55/757861655.db2.gz AKSOJJRZIYKECS-CVEARBPZSA-N 1 1 345.447 0.226 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(CC)nn3)C[C@@H]2C1 ZINC001049068169 757867762 /nfs/dbraw/zinc/86/77/62/757867762.db2.gz LHSZAQYVBAOIME-WTTBNOFXSA-N 1 1 345.447 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(CC)nn3)C[C@@H]2C1 ZINC001049068169 757867772 /nfs/dbraw/zinc/86/77/72/757867772.db2.gz LHSZAQYVBAOIME-WTTBNOFXSA-N 1 1 345.447 0.779 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001021730370 757873852 /nfs/dbraw/zinc/87/38/52/757873852.db2.gz MXZMLQQGTUBYSH-JKSUJKDBSA-N 1 1 332.448 0.723 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@H]2C1 ZINC001049074256 757887375 /nfs/dbraw/zinc/88/73/75/757887375.db2.gz WTXORDPSPOLVDH-KFWWJZLASA-N 1 1 328.420 0.039 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@H]2C1 ZINC001049093077 757942296 /nfs/dbraw/zinc/94/22/96/757942296.db2.gz UOYGDJYKUIFJBD-KFWWJZLASA-N 1 1 326.462 0.778 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001011551889 757977606 /nfs/dbraw/zinc/97/76/06/757977606.db2.gz AXQJAFYGQRWQHY-UHFFFAOYSA-N 1 1 335.448 0.736 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001021947983 758090695 /nfs/dbraw/zinc/09/06/95/758090695.db2.gz FOYCPSGLGMIGGF-BETUJISGSA-N 1 1 342.407 0.724 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049140882 758110331 /nfs/dbraw/zinc/11/03/31/758110331.db2.gz XEJQORSVZIQLLT-OAGGEKHMSA-N 1 1 343.431 0.342 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cccc(-n4cncn4)n3)C[C@H]2C1 ZINC001049140940 758111008 /nfs/dbraw/zinc/11/10/08/758111008.db2.gz DQGMFWNWCXUCQE-GASCZTMLSA-N 1 1 336.399 0.689 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001077090400 758139522 /nfs/dbraw/zinc/13/95/22/758139522.db2.gz ZHGMVPMFQKWIMU-HZPDHXFCSA-N 1 1 333.363 0.582 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001077098128 758158838 /nfs/dbraw/zinc/15/88/38/758158838.db2.gz OXIUMTDSBPUKDH-RCCFBDPRSA-N 1 1 328.412 0.910 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001077098128 758158844 /nfs/dbraw/zinc/15/88/44/758158844.db2.gz OXIUMTDSBPUKDH-RCCFBDPRSA-N 1 1 328.412 0.910 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001049159764 758171076 /nfs/dbraw/zinc/17/10/76/758171076.db2.gz RPKPETDSHLSSPH-GJZGRUSLSA-N 1 1 348.447 0.824 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)[C@@H](O)C1 ZINC001083563792 758205952 /nfs/dbraw/zinc/20/59/52/758205952.db2.gz DUZJZFYQRWOHFA-GUTXKFCHSA-N 1 1 334.420 0.195 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nonc4C)C[C@@H]3C2)cn1 ZINC001049177792 758232630 /nfs/dbraw/zinc/23/26/30/758232630.db2.gz OONRCJOQINCRPO-GASCZTMLSA-N 1 1 337.383 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nonc4C)C[C@@H]3C2)cn1 ZINC001049177792 758232636 /nfs/dbraw/zinc/23/26/36/758232636.db2.gz OONRCJOQINCRPO-GASCZTMLSA-N 1 1 337.383 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnnn4C)C[C@@H]3C2)nc1 ZINC001049178019 758234499 /nfs/dbraw/zinc/23/44/99/758234499.db2.gz ZJGRPHNOXUWPHG-GASCZTMLSA-N 1 1 336.399 0.395 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001011661792 758236315 /nfs/dbraw/zinc/23/63/15/758236315.db2.gz NUPGOHNYWNRIHO-SMDDNHRTSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnccn1 ZINC001077124235 758283435 /nfs/dbraw/zinc/28/34/35/758283435.db2.gz OFGSNVJCFWGHLT-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnccn1 ZINC001077124235 758283439 /nfs/dbraw/zinc/28/34/39/758283439.db2.gz OFGSNVJCFWGHLT-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1[nH]cnc1C ZINC001077124725 758286372 /nfs/dbraw/zinc/28/63/72/758286372.db2.gz DHCAUAOHAQWIJC-JSGCOSHPSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1[nH]cnc1C ZINC001077124725 758286379 /nfs/dbraw/zinc/28/63/79/758286379.db2.gz DHCAUAOHAQWIJC-JSGCOSHPSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001077125489 758292625 /nfs/dbraw/zinc/29/26/25/758292625.db2.gz VVDYLUUJERKOOP-JYJNAYRXSA-N 1 1 334.464 0.047 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@]1(C)CCOC1 ZINC001077125618 758293049 /nfs/dbraw/zinc/29/30/49/758293049.db2.gz ZHNSGSRFRXYRTI-RLFYNMQTSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@]1(C)CCOC1 ZINC001077125618 758293060 /nfs/dbraw/zinc/29/30/60/758293060.db2.gz ZHNSGSRFRXYRTI-RLFYNMQTSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077139114 758295801 /nfs/dbraw/zinc/29/58/01/758295801.db2.gz XYTOCXUQYJFLJC-ZMSDIMECSA-N 1 1 333.432 0.876 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1C(=O)CCC1=O)CC2 ZINC001107338934 758330576 /nfs/dbraw/zinc/33/05/76/758330576.db2.gz ZNBSOYMHANWLDC-HBUWYVDXSA-N 1 1 346.431 0.656 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001077147144 758341314 /nfs/dbraw/zinc/34/13/14/758341314.db2.gz DVAIANOQHDQZAY-ZIAGYGMSSA-N 1 1 345.399 0.759 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NCC2=CCN(c3nccnc3C#N)CC2)C1 ZINC001127758374 758355022 /nfs/dbraw/zinc/35/50/22/758355022.db2.gz WVSRUKIRDOBVQE-AWEZNQCLSA-N 1 1 340.431 0.943 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001077152998 758361400 /nfs/dbraw/zinc/36/14/00/758361400.db2.gz XOLYRAHRFYJSRP-HZPDHXFCSA-N 1 1 329.400 0.461 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)COc3ccc(C(N)=O)cc3)C[C@H]2C1 ZINC001049221854 758367658 /nfs/dbraw/zinc/36/76/58/758367658.db2.gz LJHKTBVGCCKHSB-GASCZTMLSA-N 1 1 329.400 0.741 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001077165092 758396352 /nfs/dbraw/zinc/39/63/52/758396352.db2.gz GMUKPMLOJCTGOH-GPMSIDNRSA-N 1 1 349.475 0.810 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)COC)C[C@@H]3C2)CC1 ZINC001049235946 758405089 /nfs/dbraw/zinc/40/50/89/758405089.db2.gz ZIROSDTYLQZSAU-RYQLBKOJSA-N 1 1 333.476 0.757 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)COC)C[C@@H]3C2)CC1 ZINC001049235946 758405098 /nfs/dbraw/zinc/40/50/98/758405098.db2.gz ZIROSDTYLQZSAU-RYQLBKOJSA-N 1 1 333.476 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nc(CC)no2)C1 ZINC001022221974 758443130 /nfs/dbraw/zinc/44/31/30/758443130.db2.gz UDAUJGMBLCIYFK-MJBXVCDLSA-N 1 1 331.420 0.466 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nc(CC)no2)C1 ZINC001022221974 758443133 /nfs/dbraw/zinc/44/31/33/758443133.db2.gz UDAUJGMBLCIYFK-MJBXVCDLSA-N 1 1 331.420 0.466 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001077185371 758443797 /nfs/dbraw/zinc/44/37/97/758443797.db2.gz YNQAGYASJYNZEA-VXGBXAGGSA-N 1 1 332.326 0.796 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001077188857 758455702 /nfs/dbraw/zinc/45/57/02/758455702.db2.gz ZYXPETJXMWGTMK-CHWSQXEVSA-N 1 1 328.363 0.808 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(C)C)CC2 ZINC001107401912 758472085 /nfs/dbraw/zinc/47/20/85/758472085.db2.gz FYSHXQYDXZMUTD-FRQCXROJSA-N 1 1 349.475 0.910 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccns3)CCC[C@@H]12 ZINC001107424419 758531747 /nfs/dbraw/zinc/53/17/47/758531747.db2.gz MYTLVCXIRMXRNG-CZUORRHYSA-N 1 1 347.444 0.757 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001011770911 758534127 /nfs/dbraw/zinc/53/41/27/758534127.db2.gz GWPVUQBXQDIVQC-BXUZGUMPSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001077222009 758548380 /nfs/dbraw/zinc/54/83/80/758548380.db2.gz RZGSAUQHCRDJJT-LBPRGKRZSA-N 1 1 338.408 0.563 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001049361046 758566542 /nfs/dbraw/zinc/56/65/42/758566542.db2.gz OBUBYPZFSDKZDP-GJZGRUSLSA-N 1 1 325.453 0.715 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3C(=O)CCC3=O)CCC[C@@H]12 ZINC001107430119 758571288 /nfs/dbraw/zinc/57/12/88/758571288.db2.gz XKXXCTJKHPNFLC-QMTMVMCOSA-N 1 1 345.443 0.908 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)C(N)=O)CCC[C@@H]12 ZINC001107444496 758580695 /nfs/dbraw/zinc/58/06/95/758580695.db2.gz LJCASFQFKWGJFH-RDTXWAMCSA-N 1 1 335.448 0.509 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(c4ccnc(C#N)n4)C[C@H]3C2)C1 ZINC001049383909 758607373 /nfs/dbraw/zinc/60/73/73/758607373.db2.gz GZQGODAUTSQUCA-ILXRZTDVSA-N 1 1 340.431 0.585 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)C[C@@H](C)Nc1nc(C)[nH+]c(C)c1C ZINC001115683793 758610978 /nfs/dbraw/zinc/61/09/78/758610978.db2.gz HHCLEEVETYBANY-LLVKDONJSA-N 1 1 331.420 0.800 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)C(=O)NCC(F)F)CCC[C@@H]12 ZINC001107457652 758619239 /nfs/dbraw/zinc/61/92/39/758619239.db2.gz HKKMLFYXTJWWAB-MLGOLLRUSA-N 1 1 327.375 0.752 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C\CNc2ccnc(C#N)n2)C1 ZINC001107465449 758622937 /nfs/dbraw/zinc/62/29/37/758622937.db2.gz BLNAJWKWPWMQLZ-JZIMQPMSSA-N 1 1 342.447 0.976 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001077265297 758641736 /nfs/dbraw/zinc/64/17/36/758641736.db2.gz MIZHIQFYYQDANZ-RCCFBDPRSA-N 1 1 328.412 0.989 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001077265297 758641742 /nfs/dbraw/zinc/64/17/42/758641742.db2.gz MIZHIQFYYQDANZ-RCCFBDPRSA-N 1 1 328.412 0.989 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCn2cncn2)[nH]1 ZINC001049425225 758667564 /nfs/dbraw/zinc/66/75/64/758667564.db2.gz LQDFDWHWQJNQDQ-HOTGVXAUSA-N 1 1 339.403 0.857 20 30 ECEDMO C=CCCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)CC1 ZINC001049440312 758700957 /nfs/dbraw/zinc/70/09/57/758700957.db2.gz BARYINTZFZCFSY-PMPSAXMXSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CCC)S(N)(=O)=O)CCC[C@@H]12 ZINC001107487676 758725052 /nfs/dbraw/zinc/72/50/52/758725052.db2.gz ZVRFYYUYHNZBGE-SQWLQELKSA-N 1 1 343.493 0.990 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](CCC)OC)CCC[C@@H]12 ZINC001107496520 758752224 /nfs/dbraw/zinc/75/22/24/758752224.db2.gz CJQCMLKJDMBNBQ-FRQCXROJSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001049474050 758777742 /nfs/dbraw/zinc/77/77/42/758777742.db2.gz ORQPHKZBNPJREC-NUEKZKHPSA-N 1 1 341.415 0.461 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1Cl ZINC001105909599 762658791 /nfs/dbraw/zinc/65/87/91/762658791.db2.gz KFIFFGBXBQBHGU-GFCCVEGCSA-N 1 1 339.827 0.837 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001049483281 758794248 /nfs/dbraw/zinc/79/42/48/758794248.db2.gz UQCBIBJPFVTAIN-KGLIPLIRSA-N 1 1 346.435 0.409 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049507178 758821707 /nfs/dbraw/zinc/82/17/07/758821707.db2.gz DEHCCALPHIGBRT-CABCVRRESA-N 1 1 341.477 0.663 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)n(C)c1=O ZINC001049507714 758824628 /nfs/dbraw/zinc/82/46/28/758824628.db2.gz LWWSTDODAWGCSV-GJZGRUSLSA-N 1 1 346.431 0.188 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049550939 758912801 /nfs/dbraw/zinc/91/28/01/758912801.db2.gz CRVKXYZXQRKFCE-JKSUJKDBSA-N 1 1 328.416 0.974 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049610891 758991638 /nfs/dbraw/zinc/99/16/38/758991638.db2.gz GKKVJFWWKCOOGY-CABCVRRESA-N 1 1 331.420 0.061 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049612733 758993198 /nfs/dbraw/zinc/99/31/98/758993198.db2.gz NYHREUDBVWHCOQ-GJZGRUSLSA-N 1 1 333.436 0.613 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001022717383 759033957 /nfs/dbraw/zinc/03/39/57/759033957.db2.gz BIPWSHNOKGTEBP-HYVNUMGLSA-N 1 1 329.444 0.943 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049637589 759037475 /nfs/dbraw/zinc/03/74/75/759037475.db2.gz HRMHBVHROGXWGX-UONOGXRCSA-N 1 1 340.855 0.236 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049637589 759037478 /nfs/dbraw/zinc/03/74/78/759037478.db2.gz HRMHBVHROGXWGX-UONOGXRCSA-N 1 1 340.855 0.236 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)ccc1F ZINC001049692103 759106127 /nfs/dbraw/zinc/10/61/27/759106127.db2.gz PZRMKHHVGVJNAT-CABCVRRESA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)ccc1F ZINC001049692103 759106132 /nfs/dbraw/zinc/10/61/32/759106132.db2.gz PZRMKHHVGVJNAT-CABCVRRESA-N 1 1 330.363 0.748 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049721883 759131794 /nfs/dbraw/zinc/13/17/94/759131794.db2.gz GNZWVFWQLSKMAG-LUKYLMHMSA-N 1 1 347.459 0.711 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 ZINC000991065143 759154950 /nfs/dbraw/zinc/15/49/50/759154950.db2.gz FBHQSPDVVAHTMP-XJKSGUPXSA-N 1 1 341.839 0.711 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 ZINC000991065143 759154954 /nfs/dbraw/zinc/15/49/54/759154954.db2.gz FBHQSPDVVAHTMP-XJKSGUPXSA-N 1 1 341.839 0.711 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)NC1CC1 ZINC001049742483 759157185 /nfs/dbraw/zinc/15/71/85/759157185.db2.gz UGNVTVUAHOZCQF-QZWWFDLISA-N 1 1 347.459 0.921 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049780089 759195964 /nfs/dbraw/zinc/19/59/64/759195964.db2.gz YXKFCMDCGZMUDJ-RYTBJUFESA-N 1 1 344.415 0.063 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001049783296 759200313 /nfs/dbraw/zinc/20/03/13/759200313.db2.gz SXKBRJZEZQIKBU-JKQORVJESA-N 1 1 335.448 0.908 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001049783296 759200314 /nfs/dbraw/zinc/20/03/14/759200314.db2.gz SXKBRJZEZQIKBU-JKQORVJESA-N 1 1 335.448 0.908 20 30 ECEDMO Cc1nsc(NC[C@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1C#N ZINC001105913919 762693576 /nfs/dbraw/zinc/69/35/76/762693576.db2.gz LUJWCEWEFHJGOB-VXGBXAGGSA-N 1 1 337.449 0.554 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2cnon2)C1=O ZINC001049796819 759221517 /nfs/dbraw/zinc/22/15/17/759221517.db2.gz GFMNVZOCRDYNQO-KFWWJZLASA-N 1 1 345.403 0.535 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cncn2)n1 ZINC001049818499 759252758 /nfs/dbraw/zinc/25/27/58/759252758.db2.gz RXOPTHDTLWBTCM-HZPDHXFCSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001049827076 759261356 /nfs/dbraw/zinc/26/13/56/759261356.db2.gz JHWOFRVFADBWHK-DJIMGWMZSA-N 1 1 343.431 0.627 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049832163 759268037 /nfs/dbraw/zinc/26/80/37/759268037.db2.gz TVVTXZSAFDRROK-KBPBESRZSA-N 1 1 334.420 0.570 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001049836053 759272281 /nfs/dbraw/zinc/27/22/81/759272281.db2.gz UMZJKWQDWMCWDH-LSDHHAIUSA-N 1 1 343.431 0.080 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O ZINC001049839469 759277756 /nfs/dbraw/zinc/27/77/56/759277756.db2.gz IFZZICFBBAQOAR-KBPBESRZSA-N 1 1 334.420 0.522 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049842979 759287588 /nfs/dbraw/zinc/28/75/88/759287588.db2.gz ZHZBCHYATLBZJA-WDEREUQCSA-N 1 1 332.360 0.209 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001049850336 759300522 /nfs/dbraw/zinc/30/05/22/759300522.db2.gz YTGZNDHGGKBFFO-CVEARBPZSA-N 1 1 337.379 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001031089231 767852303 /nfs/dbraw/zinc/85/23/03/767852303.db2.gz BNXJZFTUBVLONP-QRTARXTBSA-N 1 1 335.448 0.684 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001049885970 759349579 /nfs/dbraw/zinc/34/95/79/759349579.db2.gz QZDRULZHDUVZNC-BFHYXJOUSA-N 1 1 334.420 0.616 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCc3sccc3C2)C1 ZINC001047635496 759362760 /nfs/dbraw/zinc/36/27/60/759362760.db2.gz GHJWUNZLWLWZJZ-GJZGRUSLSA-N 1 1 333.457 0.243 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCc3sccc3C2)C1 ZINC001047635496 759362771 /nfs/dbraw/zinc/36/27/71/759362771.db2.gz GHJWUNZLWLWZJZ-GJZGRUSLSA-N 1 1 333.457 0.243 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001047635434 759363177 /nfs/dbraw/zinc/36/31/77/759363177.db2.gz FQNWDLSRSXMUSG-HOTGVXAUSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001047635434 759363184 /nfs/dbraw/zinc/36/31/84/759363184.db2.gz FQNWDLSRSXMUSG-HOTGVXAUSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cnnn2)c1 ZINC001049893265 759365528 /nfs/dbraw/zinc/36/55/28/759365528.db2.gz OJYSCLIVLZGNKF-IAGOWNOFSA-N 1 1 336.399 0.974 20 30 ECEDMO Cc1ccc(C#N)c(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001125000436 759367942 /nfs/dbraw/zinc/36/79/42/759367942.db2.gz KLIDSSAURRYJPR-CVEARBPZSA-N 1 1 345.447 0.611 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)[C@@H]1CCC[N@H+]1C ZINC001125000960 759373454 /nfs/dbraw/zinc/37/34/54/759373454.db2.gz PRYGKNQCNMSELN-CABCVRRESA-N 1 1 331.420 0.303 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001049900969 759379781 /nfs/dbraw/zinc/37/97/81/759379781.db2.gz WCFXEQBKJBHOJO-RWMBFGLXSA-N 1 1 347.868 0.496 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001049900969 759379793 /nfs/dbraw/zinc/37/97/93/759379793.db2.gz WCFXEQBKJBHOJO-RWMBFGLXSA-N 1 1 347.868 0.496 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)CC1 ZINC001107034390 759385241 /nfs/dbraw/zinc/38/52/41/759385241.db2.gz YZSMFUPZYASMTA-IEBWSBKVSA-N 1 1 345.487 0.666 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2c3ccccc3NC2=O)C1 ZINC001047645544 759396322 /nfs/dbraw/zinc/39/63/22/759396322.db2.gz XJTLZZPFEOCDMC-KBMXLJTQSA-N 1 1 327.384 0.249 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2c3ccccc3NC2=O)C1 ZINC001047645544 759396328 /nfs/dbraw/zinc/39/63/28/759396328.db2.gz XJTLZZPFEOCDMC-KBMXLJTQSA-N 1 1 327.384 0.249 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C(N)=O)cn1 ZINC001049924225 759410154 /nfs/dbraw/zinc/41/01/54/759410154.db2.gz CHJBWCWWNRRNKW-CVEARBPZSA-N 1 1 326.400 0.883 20 30 ECEDMO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047652463 759413502 /nfs/dbraw/zinc/41/35/02/759413502.db2.gz SARUIEGUFNCNKK-HOTGVXAUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047652463 759413506 /nfs/dbraw/zinc/41/35/06/759413506.db2.gz SARUIEGUFNCNKK-HOTGVXAUSA-N 1 1 339.399 0.907 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)cc1 ZINC001083719997 767863471 /nfs/dbraw/zinc/86/34/71/767863471.db2.gz GDMDTOMYNPEGLV-CVEARBPZSA-N 1 1 326.356 0.450 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)cc1 ZINC001083719997 767863479 /nfs/dbraw/zinc/86/34/79/767863479.db2.gz GDMDTOMYNPEGLV-CVEARBPZSA-N 1 1 326.356 0.450 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CCCC(=O)NC)CC2)C1 ZINC001105703348 759489639 /nfs/dbraw/zinc/48/96/39/759489639.db2.gz YLIPOTAGIZZFPN-UHFFFAOYSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4ccon4)[C@@H]3C2)C1=O ZINC001049984914 759497305 /nfs/dbraw/zinc/49/73/05/759497305.db2.gz FPIMCTQAXVKFPH-NUEKZKHPSA-N 1 1 344.415 0.998 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(OC2C[NH+](CCCO)C2)CC1 ZINC001105703770 759513732 /nfs/dbraw/zinc/51/37/32/759513732.db2.gz IMCSPLKELMFSNA-QGZVFWFLSA-N 1 1 326.437 0.388 20 30 ECEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@H](OC)C1 ZINC001212134199 759553420 /nfs/dbraw/zinc/55/34/20/759553420.db2.gz NERCIBRDOBKCMJ-IXDOHACOSA-N 1 1 339.480 0.879 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)CC(C)(C)O)[C@@H]3C2)C1=O ZINC001050034357 759588545 /nfs/dbraw/zinc/58/85/45/759588545.db2.gz GHJLRXHHLSOAOV-HRCADAONSA-N 1 1 349.475 0.857 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001127028117 759601351 /nfs/dbraw/zinc/60/13/51/759601351.db2.gz CMOWKUUBBPIWGD-UHFFFAOYSA-N 1 1 330.436 0.902 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001050045655 759609980 /nfs/dbraw/zinc/60/99/80/759609980.db2.gz JVFUSJSZCFSTKB-RCCFBDPRSA-N 1 1 342.443 0.580 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(OC2C[NH+](CCCOC)C2)CC1 ZINC001105708504 759632731 /nfs/dbraw/zinc/63/27/31/759632731.db2.gz LKFYTZGPKIFLFL-HNNXBMFYSA-N 1 1 338.448 0.753 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C)n1 ZINC001050096192 759693274 /nfs/dbraw/zinc/69/32/74/759693274.db2.gz OFCDCJJFUJBLQM-SNPRPXQTSA-N 1 1 328.420 0.834 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001050095841 759693537 /nfs/dbraw/zinc/69/35/37/759693537.db2.gz ASOHHGNDEKQVBN-HZMVEIRTSA-N 1 1 347.459 0.746 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050096898 759694543 /nfs/dbraw/zinc/69/45/43/759694543.db2.gz AUBGTUMXMZVVRX-ZIAGYGMSSA-N 1 1 340.493 0.938 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)cn1 ZINC001125110762 759703060 /nfs/dbraw/zinc/70/30/60/759703060.db2.gz LIMOXJDEKRDKSH-OAHLLOKOSA-N 1 1 342.403 0.414 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1ccc(C#N)nc1 ZINC001050106845 759717615 /nfs/dbraw/zinc/71/76/15/759717615.db2.gz UNHFYADCPDEKNQ-UHOFOFEASA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1ccc(C#N)nc1 ZINC001050106845 759717620 /nfs/dbraw/zinc/71/76/20/759717620.db2.gz UNHFYADCPDEKNQ-UHOFOFEASA-N 1 1 329.404 0.367 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001050109866 759723525 /nfs/dbraw/zinc/72/35/25/759723525.db2.gz DODYQSIXUXRHOV-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([C@@H](C)[NH2+]Cc3nnn(C)n3)C2)c1 ZINC001047973757 759759132 /nfs/dbraw/zinc/75/91/32/759759132.db2.gz VWZDPAKJZLLKSQ-OCCSQVGLSA-N 1 1 339.403 0.227 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)c1 ZINC001050135337 759777693 /nfs/dbraw/zinc/77/76/93/759777693.db2.gz JLMCNMXFMUEQIC-USXIJHARSA-N 1 1 338.411 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)c1 ZINC001050135786 759779153 /nfs/dbraw/zinc/77/91/53/759779153.db2.gz OADZHABUJIBTIS-UKPHBRMFSA-N 1 1 340.427 0.734 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3cccc(C(N)=O)n3)C2)c1 ZINC001032214597 759809450 /nfs/dbraw/zinc/80/94/50/759809450.db2.gz KGYXVSWIZOYCPB-UHFFFAOYSA-N 1 1 349.394 0.914 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(-n4ccnc4)nn3)[C@@H]2C1 ZINC001050161463 759829947 /nfs/dbraw/zinc/82/99/47/759829947.db2.gz ZTTZRCAVBLFLRR-GOEBONIOSA-N 1 1 336.399 0.832 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@H+](CCCO)C[C@H]32)nn1 ZINC001050162638 759833220 /nfs/dbraw/zinc/83/32/20/759833220.db2.gz VTOZWSVMXOYLCB-GOEBONIOSA-N 1 1 333.436 0.773 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([C@H](C)[NH2+]Cc3nnn(C)n3)C2)nc1 ZINC001048034591 759863607 /nfs/dbraw/zinc/86/36/07/759863607.db2.gz ONHXCLJRJIRBEE-JSGCOSHPSA-N 1 1 339.403 0.227 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@]2(C1)C[C@@H](NC(C)=O)c1ccccc1O2 ZINC001111529203 759863850 /nfs/dbraw/zinc/86/38/50/759863850.db2.gz GLRCJCHTRWUNOD-VQIMIIECSA-N 1 1 341.411 0.840 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@]2(C1)C[C@@H](NC(C)=O)c1ccccc1O2 ZINC001111529203 759863855 /nfs/dbraw/zinc/86/38/55/759863855.db2.gz GLRCJCHTRWUNOD-VQIMIIECSA-N 1 1 341.411 0.840 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)[C@@H]2C1 ZINC001050185399 759896986 /nfs/dbraw/zinc/89/69/86/759896986.db2.gz BRDRYQVKNZEQFY-XJKSGUPXSA-N 1 1 337.379 0.740 20 30 ECEDMO Cc1ccc(C#N)c(NC/C=C\CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001107094073 759899846 /nfs/dbraw/zinc/89/98/46/759899846.db2.gz SLLZKSUELXZPQL-ABCZVMIZSA-N 1 1 329.404 0.677 20 30 ECEDMO Cc1ccc(C#N)c(NC/C=C\CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001107094073 759899854 /nfs/dbraw/zinc/89/98/54/759899854.db2.gz SLLZKSUELXZPQL-ABCZVMIZSA-N 1 1 329.404 0.677 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001077434227 759914840 /nfs/dbraw/zinc/91/48/40/759914840.db2.gz PCEGZJGIMXNWGY-CHWSQXEVSA-N 1 1 327.388 0.319 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001050296925 760077887 /nfs/dbraw/zinc/07/78/87/760077887.db2.gz JTESYSWTFQWOBR-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001050298576 760080942 /nfs/dbraw/zinc/08/09/42/760080942.db2.gz WHCPSLJCJWOPEZ-HUUCEWRRSA-N 1 1 325.453 0.882 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1OC ZINC001212140981 760170216 /nfs/dbraw/zinc/17/02/16/760170216.db2.gz AEQJCWZCGPXKIS-HZPDHXFCSA-N 1 1 333.432 0.442 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nnnn1C1CCCCC1 ZINC001127046281 760456332 /nfs/dbraw/zinc/45/63/32/760456332.db2.gz PBATZMFRGOMRFH-KGLIPLIRSA-N 1 1 348.451 0.983 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(C)c2)C1=O ZINC001032272391 760458133 /nfs/dbraw/zinc/45/81/33/760458133.db2.gz WRXAADAZLOUZNE-KKUMJFAQSA-N 1 1 329.404 0.106 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(C)c2)C1=O ZINC001032272391 760458135 /nfs/dbraw/zinc/45/81/35/760458135.db2.gz WRXAADAZLOUZNE-KKUMJFAQSA-N 1 1 329.404 0.106 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001127051972 760486307 /nfs/dbraw/zinc/48/63/07/760486307.db2.gz OLYMJIDYNIBLKJ-CQSZACIVSA-N 1 1 327.388 0.511 20 30 ECEDMO C#CCNC(=O)CC(=O)NC/C=C\CNc1nc(C)[nH+]c(C)c1C ZINC001107130078 760534415 /nfs/dbraw/zinc/53/44/15/760534415.db2.gz CDAXVKQZJYCUQJ-SREVYHEPSA-N 1 1 329.404 0.626 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(CC)n[nH]2)C1=O ZINC001032290188 760568799 /nfs/dbraw/zinc/56/87/99/760568799.db2.gz NMISBRJGUZBJAY-DZKIICNBSA-N 1 1 343.431 0.658 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(CC)n[nH]2)C1=O ZINC001032290188 760568802 /nfs/dbraw/zinc/56/88/02/760568802.db2.gz NMISBRJGUZBJAY-DZKIICNBSA-N 1 1 343.431 0.658 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](CNCc3cnon3)C2)CC1 ZINC001048479361 760593246 /nfs/dbraw/zinc/59/32/46/760593246.db2.gz MQBJFYOGGYLKHD-ZBFHGGJFSA-N 1 1 345.447 0.599 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@@H]12 ZINC000991383458 760613048 /nfs/dbraw/zinc/61/30/48/760613048.db2.gz HZFPYDVBBWCQDJ-QAPCUYQASA-N 1 1 326.400 0.469 20 30 ECEDMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C2 ZINC001048515039 760645333 /nfs/dbraw/zinc/64/53/33/760645333.db2.gz QSEDZPNADXXFKC-UBSAEIQESA-N 1 1 329.404 0.605 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050672272 760652378 /nfs/dbraw/zinc/65/23/78/760652378.db2.gz HLRCLAVQSQKVQN-BBRMVZONSA-N 1 1 328.416 0.958 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)C2 ZINC001048569360 760730839 /nfs/dbraw/zinc/73/08/39/760730839.db2.gz QCUHBVVNCRSCLF-BTTYYORXSA-N 1 1 346.431 0.243 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cn3ccnn3)o2)[C@@H](O)C1 ZINC001083662505 760741925 /nfs/dbraw/zinc/74/19/25/760741925.db2.gz VCCGRUPWQYMBQQ-CABCVRRESA-N 1 1 345.403 0.661 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C2 ZINC001048582722 760753752 /nfs/dbraw/zinc/75/37/52/760753752.db2.gz VUAZGDGOIVSOPV-ZSBIGDGJSA-N 1 1 346.387 0.502 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CCN(C(N)=O)CC1)C2 ZINC001048587070 760759314 /nfs/dbraw/zinc/75/93/14/760759314.db2.gz CHQLZABDULISGF-RBVVOMGSSA-N 1 1 332.448 0.770 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccnn4C)C[C@H]3C2)C1=O ZINC001048717129 761015156 /nfs/dbraw/zinc/01/51/56/761015156.db2.gz NMCZGPINNMEVPG-IJEWVQPXSA-N 1 1 343.431 0.211 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C)n4)C[C@H]3C2)C1=O ZINC001048724671 761047643 /nfs/dbraw/zinc/04/76/43/761047643.db2.gz DAZVQWNNPAOPQZ-IJEWVQPXSA-N 1 1 343.431 0.509 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)c4cnc(C)[nH]4)C[C@H]3C2)C1=O ZINC001048724671 761047652 /nfs/dbraw/zinc/04/76/52/761047652.db2.gz DAZVQWNNPAOPQZ-IJEWVQPXSA-N 1 1 343.431 0.509 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cnc(C)[nH]4)C[C@H]3C2)C1=O ZINC001048724671 761047662 /nfs/dbraw/zinc/04/76/62/761047662.db2.gz DAZVQWNNPAOPQZ-IJEWVQPXSA-N 1 1 343.431 0.509 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001048727919 761054887 /nfs/dbraw/zinc/05/48/87/761054887.db2.gz PHLUZHLSCVNMRB-TUVASFSCSA-N 1 1 339.461 0.361 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)c1 ZINC001048749766 761107601 /nfs/dbraw/zinc/10/76/01/761107601.db2.gz OJSXHXLSZRGABU-GUTXKFCHSA-N 1 1 327.388 0.169 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1O ZINC001048754726 761119427 /nfs/dbraw/zinc/11/94/27/761119427.db2.gz ZXJIHPSIYBXXPH-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](O)C2)C1 ZINC000991492001 761194885 /nfs/dbraw/zinc/19/48/85/761194885.db2.gz YZNSKLCRHHWHOQ-LSDHHAIUSA-N 1 1 346.431 0.626 20 30 ECEDMO C=C(C)CCN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082290 761456802 /nfs/dbraw/zinc/45/68/02/761456802.db2.gz XZKXEEAQXMOTJH-SJORKVTESA-N 1 1 339.480 0.879 20 30 ECEDMO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001054547971 768038010 /nfs/dbraw/zinc/03/80/10/768038010.db2.gz NQEYCUHJGTZIAY-SMDDNHRTSA-N 1 1 345.382 0.698 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001051128394 761530632 /nfs/dbraw/zinc/53/06/32/761530632.db2.gz XRARWSDFJJQLAK-AWEZNQCLSA-N 1 1 348.447 0.748 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001051128394 761530636 /nfs/dbraw/zinc/53/06/36/761530636.db2.gz XRARWSDFJJQLAK-AWEZNQCLSA-N 1 1 348.447 0.748 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C#N)c(Cl)s1 ZINC001105756155 761535977 /nfs/dbraw/zinc/53/59/77/761535977.db2.gz PYGALERKMBZUOK-WPRPVWTQSA-N 1 1 343.840 0.651 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001051163986 761591329 /nfs/dbraw/zinc/59/13/29/761591329.db2.gz MUHVYJMSJUZDLT-ZDUSSCGKSA-N 1 1 345.403 0.338 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001051163986 761591332 /nfs/dbraw/zinc/59/13/32/761591332.db2.gz MUHVYJMSJUZDLT-ZDUSSCGKSA-N 1 1 345.403 0.338 20 30 ECEDMO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054587620 768055130 /nfs/dbraw/zinc/05/51/30/768055130.db2.gz MVLMQSFSPYORPN-IINYFYTJSA-N 1 1 340.391 0.458 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054587621 768055376 /nfs/dbraw/zinc/05/53/76/768055376.db2.gz MVLMQSFSPYORPN-QMTHXVAHSA-N 1 1 340.391 0.458 20 30 ECEDMO C=CCN1CCOC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001051190382 761652208 /nfs/dbraw/zinc/65/22/08/761652208.db2.gz ZYPJOMQXRITYFJ-MRXNPFEDSA-N 1 1 327.388 0.884 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1c1ccnc(C#N)n1 ZINC001051196931 761668980 /nfs/dbraw/zinc/66/89/80/761668980.db2.gz PKTVZCLWIQAXFP-YIYPIFLZSA-N 1 1 344.419 0.151 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1c1ccnc(C#N)n1 ZINC001051196931 761668982 /nfs/dbraw/zinc/66/89/82/761668982.db2.gz PKTVZCLWIQAXFP-YIYPIFLZSA-N 1 1 344.419 0.151 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCN1C(N)=O ZINC001051201730 761677649 /nfs/dbraw/zinc/67/76/49/761677649.db2.gz UBWFHQATOLYIGI-LSDHHAIUSA-N 1 1 338.452 0.703 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCN1C(N)=O ZINC001051201730 761677652 /nfs/dbraw/zinc/67/76/52/761677652.db2.gz UBWFHQATOLYIGI-LSDHHAIUSA-N 1 1 338.452 0.703 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001051255959 761776487 /nfs/dbraw/zinc/77/64/87/761776487.db2.gz SGSRIGACPWBNGB-CABCVRRESA-N 1 1 333.436 0.624 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001051255959 761776495 /nfs/dbraw/zinc/77/64/95/761776495.db2.gz SGSRIGACPWBNGB-CABCVRRESA-N 1 1 333.436 0.624 20 30 ECEDMO CC#CC[N@H+]1CCc2c(CNC(=O)[C@H]3CCC(=O)N3)cccc2C1 ZINC001051283758 761822898 /nfs/dbraw/zinc/82/28/98/761822898.db2.gz MRNZLHOKYQSFDS-QGZVFWFLSA-N 1 1 325.412 0.963 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCCC(=O)N3)cccc2C1 ZINC001051290045 761834744 /nfs/dbraw/zinc/83/47/44/761834744.db2.gz GLLJLZBBOZEWTM-QGZVFWFLSA-N 1 1 325.412 0.963 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H](C)CCNc1nc(C)[nH+]c(C)c1C ZINC001106285562 768071126 /nfs/dbraw/zinc/07/11/26/768071126.db2.gz TWDHCVZZXOWLJV-NSHDSACASA-N 1 1 331.420 0.848 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nonc3C)C2)cc1 ZINC001051747244 762861483 /nfs/dbraw/zinc/86/14/83/762861483.db2.gz KPZIUDFBKHVRPO-MRXNPFEDSA-N 1 1 340.383 0.990 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001051750678 762873864 /nfs/dbraw/zinc/87/38/64/762873864.db2.gz OQYBJIFOXBZSSU-GJZGRUSLSA-N 1 1 340.387 0.214 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@@H](C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001051753084 762879524 /nfs/dbraw/zinc/87/95/24/762879524.db2.gz VWXGKGLBIVOATM-STQMWFEESA-N 1 1 336.440 0.690 20 30 ECEDMO O=C(C[C@H]1CCNC1=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014709564 763022943 /nfs/dbraw/zinc/02/29/43/763022943.db2.gz BODCQRDZNYZFCS-NVXWUHKLSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(C[C@H]1CCNC1=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014709564 763022948 /nfs/dbraw/zinc/02/29/48/763022948.db2.gz BODCQRDZNYZFCS-NVXWUHKLSA-N 1 1 343.402 0.894 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 ZINC001127654197 763101455 /nfs/dbraw/zinc/10/14/55/763101455.db2.gz JVZFTDVEVWBLSQ-UHFFFAOYSA-N 1 1 328.420 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nccn2CC)C1 ZINC001014769280 763124640 /nfs/dbraw/zinc/12/46/40/763124640.db2.gz JXBGZDKNPDPZJJ-CVEARBPZSA-N 1 1 329.448 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nccn2CC)C1 ZINC001014769280 763124647 /nfs/dbraw/zinc/12/46/47/763124647.db2.gz JXBGZDKNPDPZJJ-CVEARBPZSA-N 1 1 329.448 0.691 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCc2nc(C)no2)C1 ZINC001014777187 763135952 /nfs/dbraw/zinc/13/59/52/763135952.db2.gz UJXMNECWMSMKKT-CVEARBPZSA-N 1 1 345.447 0.599 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(C3CC3)no2)C1 ZINC001014777578 763137805 /nfs/dbraw/zinc/13/78/05/763137805.db2.gz ZIIFNJBZUOXKJQ-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(C3CC3)no2)C1 ZINC001014777578 763137813 /nfs/dbraw/zinc/13/78/13/763137813.db2.gz ZIIFNJBZUOXKJQ-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)cc1=O ZINC001014783219 763145500 /nfs/dbraw/zinc/14/55/00/763145500.db2.gz APDRRDSBYAYEAF-OAHLLOKOSA-N 1 1 337.383 0.656 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001046806164 763148823 /nfs/dbraw/zinc/14/88/23/763148823.db2.gz PXBPERWXKKPHJO-KSSFIOAISA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001046806164 763148827 /nfs/dbraw/zinc/14/88/27/763148827.db2.gz PXBPERWXKKPHJO-KSSFIOAISA-N 1 1 345.447 0.953 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001051867780 763154080 /nfs/dbraw/zinc/15/40/80/763154080.db2.gz OQTZWTXROSRXBR-DZKIICNBSA-N 1 1 349.435 0.113 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccncc3C#N)C2)C1 ZINC001051879255 763190542 /nfs/dbraw/zinc/19/05/42/763190542.db2.gz UNNSEBWKPWQONX-LDZOIKDWSA-N 1 1 329.404 0.012 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ccncc3C#N)C2)C1 ZINC001051879255 763190546 /nfs/dbraw/zinc/19/05/46/763190546.db2.gz UNNSEBWKPWQONX-LDZOIKDWSA-N 1 1 329.404 0.012 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1=O ZINC001030432783 763242672 /nfs/dbraw/zinc/24/26/72/763242672.db2.gz OIBKYAYSCARKJW-WBVHZDCISA-N 1 1 348.491 0.552 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000940296191 763262463 /nfs/dbraw/zinc/26/24/63/763262463.db2.gz WXHZRIRYRLZCJV-WOSRLPQWSA-N 1 1 343.431 0.805 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000940526639 763365772 /nfs/dbraw/zinc/36/57/72/763365772.db2.gz XABYSLSWYCKRDC-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 ZINC001127684840 763402377 /nfs/dbraw/zinc/40/23/77/763402377.db2.gz YRUKOXOFYYSHGU-UHFFFAOYSA-N 1 1 328.420 0.943 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ncccc3C#N)C2)C1 ZINC001051947590 763416981 /nfs/dbraw/zinc/41/69/81/763416981.db2.gz IQSXDMLEQUPNLJ-AVVWSFFYSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ncccc3C#N)C2)C1 ZINC001051947590 763416988 /nfs/dbraw/zinc/41/69/88/763416988.db2.gz IQSXDMLEQUPNLJ-AVVWSFFYSA-N 1 1 343.431 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 ZINC001120400838 763431261 /nfs/dbraw/zinc/43/12/61/763431261.db2.gz FIEJPZVAMMXWOP-HUUCEWRRSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCCC[C@H]2C)C1 ZINC001030462218 763436651 /nfs/dbraw/zinc/43/66/51/763436651.db2.gz LZEVWDJWBOGZJF-WBVHZDCISA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCCC[C@H]2C)C1 ZINC001030462218 763436655 /nfs/dbraw/zinc/43/66/55/763436655.db2.gz LZEVWDJWBOGZJF-WBVHZDCISA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001046947302 763439599 /nfs/dbraw/zinc/43/95/99/763439599.db2.gz NEMLWEYDUIXKPO-LBPRGKRZSA-N 1 1 338.358 0.986 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001046954039 763453567 /nfs/dbraw/zinc/45/35/67/763453567.db2.gz NUJRMNMBBLRKLU-LSDHHAIUSA-N 1 1 343.418 0.804 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001046954039 763453574 /nfs/dbraw/zinc/45/35/74/763453574.db2.gz NUJRMNMBBLRKLU-LSDHHAIUSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CCn2c(C)csc2=O)C1 ZINC001030463977 763455050 /nfs/dbraw/zinc/45/50/50/763455050.db2.gz BUZBNULQQLQEFM-HNNXBMFYSA-N 1 1 348.472 0.116 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCn2c(C)csc2=O)C1 ZINC001030463977 763455053 /nfs/dbraw/zinc/45/50/53/763455053.db2.gz BUZBNULQQLQEFM-HNNXBMFYSA-N 1 1 348.472 0.116 20 30 ECEDMO C=C(Br)CN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014922754 763459278 /nfs/dbraw/zinc/45/92/78/763459278.db2.gz GHMUNBRJKKVSCY-JHJVBQTASA-N 1 1 346.269 0.805 20 30 ECEDMO C=C(Br)CN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014922754 763459282 /nfs/dbraw/zinc/45/92/82/763459282.db2.gz GHMUNBRJKKVSCY-JHJVBQTASA-N 1 1 346.269 0.805 20 30 ECEDMO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)cn1 ZINC001105995267 763493638 /nfs/dbraw/zinc/49/36/38/763493638.db2.gz QUXSYNSZQXTIQA-CABCVRRESA-N 1 1 340.387 0.616 20 30 ECEDMO C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046982906 763506619 /nfs/dbraw/zinc/50/66/19/763506619.db2.gz UCGMLAMVEBUSMY-LLVKDONJSA-N 1 1 329.347 0.299 20 30 ECEDMO CN(CCOCCNc1cncc(C#N)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001127320044 768140972 /nfs/dbraw/zinc/14/09/72/768140972.db2.gz KZEYXNDYVMRABG-ZDUSSCGKSA-N 1 1 332.408 0.187 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001046995162 763533914 /nfs/dbraw/zinc/53/39/14/763533914.db2.gz NGRJLXTZNNUHCX-QWHCGFSZSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001046995162 763533921 /nfs/dbraw/zinc/53/39/21/763533921.db2.gz NGRJLXTZNNUHCX-QWHCGFSZSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nn(CC)nc2C)C1 ZINC001046997066 763539082 /nfs/dbraw/zinc/53/90/82/763539082.db2.gz YZWSEEWHMQTPTG-GFCCVEGCSA-N 1 1 325.363 0.927 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nn(CC)nc2C)C1 ZINC001046997066 763539088 /nfs/dbraw/zinc/53/90/88/763539088.db2.gz YZWSEEWHMQTPTG-GFCCVEGCSA-N 1 1 325.363 0.927 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001127320452 768145433 /nfs/dbraw/zinc/14/54/33/768145433.db2.gz WXGOSFMEZSVNNE-ZDUSSCGKSA-N 1 1 332.408 0.187 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cccnc3)C2)CC1 ZINC001052014259 763587928 /nfs/dbraw/zinc/58/79/28/763587928.db2.gz DJTJSLBWTNVOKP-GOSISDBHSA-N 1 1 326.444 0.866 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)CC1 ZINC001052017525 763594147 /nfs/dbraw/zinc/59/41/47/763594147.db2.gz MJJMCKBJUFDEPD-CVEARBPZSA-N 1 1 330.436 0.081 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC2CC2)C3)c[nH]1 ZINC001047053003 763597081 /nfs/dbraw/zinc/59/70/81/763597081.db2.gz PENSBOIIRXDNIJ-PEYYIBSZSA-N 1 1 341.415 0.748 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(-n3cccn3)ccn2)[C@@H](O)C1 ZINC001083770422 763597931 /nfs/dbraw/zinc/59/79/31/763597931.db2.gz IEHMXSRUFVYEJS-CVEARBPZSA-N 1 1 325.372 0.066 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2nccnc2C#N)C1 ZINC001106004413 763597962 /nfs/dbraw/zinc/59/79/62/763597962.db2.gz QXECWTFCCQOZLJ-ZIAGYGMSSA-N 1 1 346.435 0.215 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3nccn3CC)C2)CC1 ZINC001052020609 763602474 /nfs/dbraw/zinc/60/24/74/763602474.db2.gz ILNUVPRENUUYDE-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001047068605 763622322 /nfs/dbraw/zinc/62/23/22/763622322.db2.gz REIJLMDTWLMPKI-KKUMJFAQSA-N 1 1 342.447 0.951 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)CC1 ZINC001052029816 763626574 /nfs/dbraw/zinc/62/65/74/763626574.db2.gz BZSFNSNYMPVXNV-AWEZNQCLSA-N 1 1 347.467 0.446 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001052035380 763642018 /nfs/dbraw/zinc/64/20/18/763642018.db2.gz BPCYYWNYHNHMCK-SFHVURJKSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001052035380 763642023 /nfs/dbraw/zinc/64/20/23/763642023.db2.gz BPCYYWNYHNHMCK-SFHVURJKSA-N 1 1 332.492 0.713 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)C1 ZINC001052036379 763649167 /nfs/dbraw/zinc/64/91/67/763649167.db2.gz NANQHOAQOZUNFI-ZWKOTPCHSA-N 1 1 347.507 0.706 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C2)CC1 ZINC001052036653 763649244 /nfs/dbraw/zinc/64/92/44/763649244.db2.gz RSHMBKUPSRRQLP-INIZCTEOSA-N 1 1 342.447 0.007 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C2)CC1 ZINC001052037277 763653550 /nfs/dbraw/zinc/65/35/50/763653550.db2.gz JLXJQNQSOLLCHH-AWEZNQCLSA-N 1 1 331.420 0.294 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3cc(C)on3)C2)CC1 ZINC001052038226 763657870 /nfs/dbraw/zinc/65/78/70/763657870.db2.gz ZIEMJTXIEKGIOR-OAHLLOKOSA-N 1 1 334.420 0.766 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3cc(C)on3)C2)CC1 ZINC001052038226 763657875 /nfs/dbraw/zinc/65/78/75/763657875.db2.gz ZIEMJTXIEKGIOR-OAHLLOKOSA-N 1 1 334.420 0.766 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052040759 763663720 /nfs/dbraw/zinc/66/37/20/763663720.db2.gz JPLSQVDQOVREMC-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)CC1 ZINC001052040781 763664025 /nfs/dbraw/zinc/66/40/25/763664025.db2.gz KKNXIENZUPYLME-QGZVFWFLSA-N 1 1 342.443 0.241 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)nc3CC)C2)CC1 ZINC001052041443 763666370 /nfs/dbraw/zinc/66/63/70/763666370.db2.gz IGLJULDZRBSBST-INIZCTEOSA-N 1 1 343.475 0.838 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)nnc3CC)C2)CC1 ZINC001052045451 763683012 /nfs/dbraw/zinc/68/30/12/763683012.db2.gz UAWAMOXIFGTJMS-MRXNPFEDSA-N 1 1 341.459 0.813 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccn4nccc34)C2)CC1 ZINC001052047520 763691343 /nfs/dbraw/zinc/69/13/43/763691343.db2.gz PMWYCDJGEJLTTH-INIZCTEOSA-N 1 1 337.427 0.800 20 30 ECEDMO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001015025882 763694946 /nfs/dbraw/zinc/69/49/46/763694946.db2.gz SIGQJYCEOQJQFU-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052048534 763696921 /nfs/dbraw/zinc/69/69/21/763696921.db2.gz WXQCGSNHGBHNDK-ZWKOTPCHSA-N 1 1 347.507 0.849 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C2)CC1 ZINC001052048676 763698111 /nfs/dbraw/zinc/69/81/11/763698111.db2.gz AQFOWXFXSWFWQL-ZDUSSCGKSA-N 1 1 332.404 0.397 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001052049344 763700924 /nfs/dbraw/zinc/70/09/24/763700924.db2.gz FNQISWXPGNBBOQ-GXTWGEPZSA-N 1 1 349.460 0.659 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc(OC)n3)C2)CC1 ZINC001052050153 763705245 /nfs/dbraw/zinc/70/52/45/763705245.db2.gz SDOYNIFSBSXCCI-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4nnnn4c3)C2)CC1 ZINC001052050183 763705735 /nfs/dbraw/zinc/70/57/35/763705735.db2.gz SIINAXNSAJMAID-OAHLLOKOSA-N 1 1 341.419 0.142 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C2)CC1 ZINC001052050556 763707258 /nfs/dbraw/zinc/70/72/58/763707258.db2.gz XNOXJGRIBWSOAR-OAHLLOKOSA-N 1 1 345.447 0.284 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cn(CC)nn3)C2)CC1 ZINC001052054789 763722316 /nfs/dbraw/zinc/72/23/16/763722316.db2.gz DHAQHYIFFKSIMU-INIZCTEOSA-N 1 1 332.452 0.245 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cn(CC)nn3)C2)CC1 ZINC001052054789 763722320 /nfs/dbraw/zinc/72/23/20/763722320.db2.gz DHAQHYIFFKSIMU-INIZCTEOSA-N 1 1 332.452 0.245 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)CC1 ZINC001052054777 763722373 /nfs/dbraw/zinc/72/23/73/763722373.db2.gz CRXONUZJUNKROP-IRXDYDNUSA-N 1 1 347.463 0.512 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C2)CC1 ZINC001052055130 763723425 /nfs/dbraw/zinc/72/34/25/763723425.db2.gz IAULOTJLYRXXHW-QGZVFWFLSA-N 1 1 344.463 0.082 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)c1 ZINC001015041859 763733972 /nfs/dbraw/zinc/73/39/72/763733972.db2.gz HMWLUQOCDNUVNQ-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)CC1 ZINC001052060279 763739702 /nfs/dbraw/zinc/73/97/02/763739702.db2.gz BLLUAJBRPVVHLV-HNNXBMFYSA-N 1 1 345.447 0.817 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)CC1 ZINC001052060279 763739707 /nfs/dbraw/zinc/73/97/07/763739707.db2.gz BLLUAJBRPVVHLV-HNNXBMFYSA-N 1 1 345.447 0.817 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(Cc3nncn3C)CC2)C1 ZINC001052063106 763748271 /nfs/dbraw/zinc/74/82/71/763748271.db2.gz SKJOHJNEZUYPRZ-HNNXBMFYSA-N 1 1 346.479 0.746 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001047185861 763782599 /nfs/dbraw/zinc/78/25/99/763782599.db2.gz ARJJIVSRCFNVTN-JQFCIGGWSA-N 1 1 325.412 0.665 20 30 ECEDMO CC#CCN1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081681 763798568 /nfs/dbraw/zinc/79/85/68/763798568.db2.gz FBCXEQKJEGELEK-ROUUACIJSA-N 1 1 332.492 0.713 20 30 ECEDMO CC#CCN1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081679 763799108 /nfs/dbraw/zinc/79/91/08/763799108.db2.gz FBCXEQKJEGELEK-MSOLQXFVSA-N 1 1 332.492 0.713 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941567578 763801889 /nfs/dbraw/zinc/80/18/89/763801889.db2.gz XYGFELNMHCNHMR-UHFFFAOYSA-N 1 1 332.492 0.570 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH+]3CCN(CC#CC)CC3)C2)c1 ZINC001052082846 763802969 /nfs/dbraw/zinc/80/29/69/763802969.db2.gz XRGJMZHCJICMTF-IBGZPJMESA-N 1 1 336.439 0.918 20 30 ECEDMO Cc1ncccc1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052084428 763808194 /nfs/dbraw/zinc/80/81/94/763808194.db2.gz VXHDJUUAELYSRE-KRWDZBQOSA-N 1 1 327.432 0.675 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)CC1 ZINC001052085690 763812475 /nfs/dbraw/zinc/81/24/75/763812475.db2.gz JKQQLSUTWNXZGB-AWEZNQCLSA-N 1 1 344.415 0.261 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052088890 763823256 /nfs/dbraw/zinc/82/32/56/763823256.db2.gz MWFOAADRRKIVDQ-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052088890 763823265 /nfs/dbraw/zinc/82/32/65/763823265.db2.gz MWFOAADRRKIVDQ-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052089638 763824539 /nfs/dbraw/zinc/82/45/39/763824539.db2.gz SDLHPTJLHIKUEU-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2C[NH+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001031963193 763824787 /nfs/dbraw/zinc/82/47/87/763824787.db2.gz HBQMNUWRMCFGKK-MRXNPFEDSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C2)CC1 ZINC001052090194 763826730 /nfs/dbraw/zinc/82/67/30/763826730.db2.gz XWSUGYOIVRSDPB-KRWDZBQOSA-N 1 1 344.459 0.561 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C2)CC1 ZINC001052090194 763826735 /nfs/dbraw/zinc/82/67/35/763826735.db2.gz XWSUGYOIVRSDPB-KRWDZBQOSA-N 1 1 344.459 0.561 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001031963872 763829431 /nfs/dbraw/zinc/82/94/31/763829431.db2.gz WWZCGFAYYIFCOB-LBPRGKRZSA-N 1 1 326.400 0.392 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4ccccc34)C2)CC1 ZINC001052097992 763852047 /nfs/dbraw/zinc/85/20/47/763852047.db2.gz BCEUUPXQPKJKKL-MRXNPFEDSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3cccnc3)C2)CC1 ZINC001052098918 763856223 /nfs/dbraw/zinc/85/62/23/763856223.db2.gz QQJVFDTXIFSEGI-MRXNPFEDSA-N 1 1 328.416 0.312 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[C@@H]3CCCOC3)C2)CC1 ZINC001052102219 763865064 /nfs/dbraw/zinc/86/50/64/763865064.db2.gz COFJRMZAIBVSGK-IRXDYDNUSA-N 1 1 334.464 0.935 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNc1snc(C)c1C#N ZINC001106026837 763873924 /nfs/dbraw/zinc/87/39/24/763873924.db2.gz SZTAPMGSQRLCHW-NSHDSACASA-N 1 1 334.405 0.417 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)CC1 ZINC001052106274 763879605 /nfs/dbraw/zinc/87/96/05/763879605.db2.gz GXRMNWIAERATKR-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C2)CC1 ZINC001052106349 763879893 /nfs/dbraw/zinc/87/98/93/763879893.db2.gz ITGUCGYFZIWIGE-OAHLLOKOSA-N 1 1 341.459 0.374 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(CC)cn3)C2)CC1 ZINC001052108959 763893370 /nfs/dbraw/zinc/89/33/70/763893370.db2.gz UWVUYOGETCIPSI-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)COc3ccccc3F)C2)CC1 ZINC001052113714 763914237 /nfs/dbraw/zinc/91/42/37/763914237.db2.gz APOKINQDORCYDX-HNNXBMFYSA-N 1 1 346.406 0.947 20 30 ECEDMO Cc1noc(C)c1CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052116944 763925195 /nfs/dbraw/zinc/92/51/95/763925195.db2.gz BUHXBBMONPMVSQ-INIZCTEOSA-N 1 1 345.447 0.966 20 30 ECEDMO Cc1noc(C)c1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052117466 763928545 /nfs/dbraw/zinc/92/85/45/763928545.db2.gz PANJDXUHCGMGFM-OAHLLOKOSA-N 1 1 331.420 0.576 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088863510 763951032 /nfs/dbraw/zinc/95/10/32/763951032.db2.gz ITGYCQFVUSOVSJ-ADDUCUOXSA-N 1 1 344.390 0.898 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088863510 763951034 /nfs/dbraw/zinc/95/10/34/763951034.db2.gz ITGYCQFVUSOVSJ-ADDUCUOXSA-N 1 1 344.390 0.898 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnccn3)CC2)C1=O ZINC001052167002 763997128 /nfs/dbraw/zinc/99/71/28/763997128.db2.gz OMEXZIIUFLSMEA-GDBMZVCRSA-N 1 1 343.431 0.848 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CCN(C(=O)Cc3c[nH]cn3)CC2)cn1 ZINC001017606041 768181303 /nfs/dbraw/zinc/18/13/03/768181303.db2.gz JUCPACFUMXPCEI-UHFFFAOYSA-N 1 1 349.394 0.917 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 ZINC001052183259 764021410 /nfs/dbraw/zinc/02/14/10/764021410.db2.gz APSXICQUQIRTHV-MRXNPFEDSA-N 1 1 339.403 0.716 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccn[nH]3)CC2)C1=O ZINC001052223015 764085463 /nfs/dbraw/zinc/08/54/63/764085463.db2.gz AZLPRSXHNFQUME-HIFRSBDPSA-N 1 1 331.420 0.781 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001047354444 764092347 /nfs/dbraw/zinc/09/23/47/764092347.db2.gz XWYSJHMORMLPFY-XIRDDKMYSA-N 1 1 346.431 0.963 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3cnc(C#N)cn3)C[C@@]2(C)C1 ZINC001052234102 764105044 /nfs/dbraw/zinc/10/50/44/764105044.db2.gz MBTHLVOBKAUCFY-SIIHOXLZSA-N 1 1 340.431 0.727 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccn(C(C)C)n3)C2)C1=O ZINC001032020453 764159098 /nfs/dbraw/zinc/15/90/98/764159098.db2.gz NNWDFWUWPJLQNU-INIZCTEOSA-N 1 1 345.447 0.913 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccc(C)c2=O)C1 ZINC001047379879 764166697 /nfs/dbraw/zinc/16/66/97/764166697.db2.gz QTVFLPSCFCQXJT-HOTGVXAUSA-N 1 1 333.432 0.626 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001047381290 764171282 /nfs/dbraw/zinc/17/12/82/764171282.db2.gz HLYSEQWMZOARSX-BPUTZDHNSA-N 1 1 334.420 0.456 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001047381290 764171291 /nfs/dbraw/zinc/17/12/91/764171291.db2.gz HLYSEQWMZOARSX-BPUTZDHNSA-N 1 1 334.420 0.456 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)OCCC=C)C1 ZINC001111642961 764180545 /nfs/dbraw/zinc/18/05/45/764180545.db2.gz RPURSPNIZVIVOV-BXWFABGCSA-N 1 1 347.459 0.688 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)OCCC=C)C1 ZINC001111642961 764180554 /nfs/dbraw/zinc/18/05/54/764180554.db2.gz RPURSPNIZVIVOV-BXWFABGCSA-N 1 1 347.459 0.688 20 30 ECEDMO Cn1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC001052284290 764191188 /nfs/dbraw/zinc/19/11/88/764191188.db2.gz AXIAWIFUOYWGJK-ZDUSSCGKSA-N 1 1 327.392 0.799 20 30 ECEDMO Cn1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC001052284290 764191194 /nfs/dbraw/zinc/19/11/94/764191194.db2.gz AXIAWIFUOYWGJK-ZDUSSCGKSA-N 1 1 327.392 0.799 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(C)ccn32)C1 ZINC001047393251 764198949 /nfs/dbraw/zinc/19/89/49/764198949.db2.gz NWCATFKXVCLQBO-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(C)ccn32)C1 ZINC001047393251 764198956 /nfs/dbraw/zinc/19/89/56/764198956.db2.gz NWCATFKXVCLQBO-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001047394368 764202713 /nfs/dbraw/zinc/20/27/13/764202713.db2.gz CZONQJMWXJYTKY-QWRGUYRKSA-N 1 1 332.326 0.742 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001047394368 764202721 /nfs/dbraw/zinc/20/27/21/764202721.db2.gz CZONQJMWXJYTKY-QWRGUYRKSA-N 1 1 332.326 0.742 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2C[NH+]([C@H](C)C(=O)NC)C2)cc1 ZINC001032033386 764216961 /nfs/dbraw/zinc/21/69/61/764216961.db2.gz ZLFDCJFXIYEDNY-CYBMUJFWSA-N 1 1 329.400 0.495 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001047400581 764222231 /nfs/dbraw/zinc/22/22/31/764222231.db2.gz ZUDCVKIEBGTHGC-PMPSAXMXSA-N 1 1 337.464 0.713 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC001052309839 764226184 /nfs/dbraw/zinc/22/61/84/764226184.db2.gz OHTZEYIQQWGCFK-DOMZBBRYSA-N 1 1 329.404 0.701 20 30 ECEDMO CS(=O)(=O)CC1(CC(=O)NCC[NH2+]Cc2ccccc2C#N)CC1 ZINC001127201141 764230359 /nfs/dbraw/zinc/23/03/59/764230359.db2.gz OHPUSIBVBYKSSL-UHFFFAOYSA-N 1 1 349.456 0.979 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052314679 764234196 /nfs/dbraw/zinc/23/41/96/764234196.db2.gz LETVYXFKWMMNNP-CYBMUJFWSA-N 1 1 338.433 0.515 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052314679 764234203 /nfs/dbraw/zinc/23/42/03/764234203.db2.gz LETVYXFKWMMNNP-CYBMUJFWSA-N 1 1 338.433 0.515 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cc(C)nn3C)C2)C1=O ZINC001015252401 764238980 /nfs/dbraw/zinc/23/89/80/764238980.db2.gz HREZYLDWJCHVKH-ZBFHGGJFSA-N 1 1 345.447 0.248 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cc(C)nn3C)C2)C1=O ZINC001015252401 764238982 /nfs/dbraw/zinc/23/89/82/764238982.db2.gz HREZYLDWJCHVKH-ZBFHGGJFSA-N 1 1 345.447 0.248 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc3ncn(C)c32)C1 ZINC001047414845 764271363 /nfs/dbraw/zinc/27/13/63/764271363.db2.gz WRYUOGCQUOXWNM-GJZGRUSLSA-N 1 1 329.404 0.662 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001047414840 764271590 /nfs/dbraw/zinc/27/15/90/764271590.db2.gz VYUZUAVAYUFESS-WNRNVDISSA-N 1 1 344.411 0.280 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001047414840 764271595 /nfs/dbraw/zinc/27/15/95/764271595.db2.gz VYUZUAVAYUFESS-WNRNVDISSA-N 1 1 344.411 0.280 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn3c2CCCC3)C1 ZINC001047416204 764277996 /nfs/dbraw/zinc/27/79/96/764277996.db2.gz YVDGHVOUWAMTQK-IRXDYDNUSA-N 1 1 330.432 0.289 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001047425937 764309318 /nfs/dbraw/zinc/30/93/18/764309318.db2.gz QAYYICAQPMDKSZ-NJAFHUGGSA-N 1 1 327.428 0.650 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001047425937 764309321 /nfs/dbraw/zinc/30/93/21/764309321.db2.gz QAYYICAQPMDKSZ-NJAFHUGGSA-N 1 1 327.428 0.650 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001047427957 764314382 /nfs/dbraw/zinc/31/43/82/764314382.db2.gz QEOQEALQULFBGQ-JYJNAYRXSA-N 1 1 332.448 0.834 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001047427876 764314658 /nfs/dbraw/zinc/31/46/58/764314658.db2.gz MBMSUJSCIPPKRE-PMPSAXMXSA-N 1 1 330.432 0.281 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001047427876 764314664 /nfs/dbraw/zinc/31/46/64/764314664.db2.gz MBMSUJSCIPPKRE-PMPSAXMXSA-N 1 1 330.432 0.281 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001047427720 764314828 /nfs/dbraw/zinc/31/48/28/764314828.db2.gz CPXLTSOXKKHXBT-JYJNAYRXSA-N 1 1 330.432 0.281 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)CC2)c1 ZINC001052379059 764366733 /nfs/dbraw/zinc/36/67/33/764366733.db2.gz MDVVJSDGHFLOOE-MRXNPFEDSA-N 1 1 339.403 0.716 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(N3CCCC3)ccn2)C1 ZINC001047448157 764376743 /nfs/dbraw/zinc/37/67/43/764376743.db2.gz KYLWOADYLKRRPG-IRXDYDNUSA-N 1 1 330.432 0.985 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(N3CCCC3)ccn2)C1 ZINC001047448157 764376751 /nfs/dbraw/zinc/37/67/51/764376751.db2.gz KYLWOADYLKRRPG-IRXDYDNUSA-N 1 1 330.432 0.985 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001047450984 764384746 /nfs/dbraw/zinc/38/47/46/764384746.db2.gz ZGRCSHAECXEBRF-HOTGVXAUSA-N 1 1 347.415 0.244 20 30 ECEDMO C=C(Cl)CN1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015334992 764395148 /nfs/dbraw/zinc/39/51/48/764395148.db2.gz SFSVOYFJJNXLLA-IQXANGCESA-N 1 1 325.840 0.793 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)F)nn2C)C1 ZINC001047457845 764404598 /nfs/dbraw/zinc/40/45/98/764404598.db2.gz PPAMTPBDVBQTCP-STQMWFEESA-N 1 1 326.347 0.498 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccc(C)cc1=O ZINC001089872761 764438496 /nfs/dbraw/zinc/43/84/96/764438496.db2.gz JMJYIHZAXLIOMF-FJIDUMEYSA-N 1 1 339.439 0.959 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001047471630 764438704 /nfs/dbraw/zinc/43/87/04/764438704.db2.gz RASRRSSSDSCJSC-ULQDDVLXSA-N 1 1 328.412 0.916 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001047471630 764438710 /nfs/dbraw/zinc/43/87/10/764438710.db2.gz RASRRSSSDSCJSC-ULQDDVLXSA-N 1 1 328.412 0.916 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083780280 764450803 /nfs/dbraw/zinc/45/08/03/764450803.db2.gz QSDDDWKSLKPBPX-QGTPRVQTSA-N 1 1 342.443 0.561 20 30 ECEDMO CN(C[C@@H](O)CNc1ncc(C#N)cc1F)C(=O)[C@H]1CCCC[N@H+]1C ZINC001124866117 764459500 /nfs/dbraw/zinc/45/95/00/764459500.db2.gz ULCZQVGLSBDRFV-DZGCQCFKSA-N 1 1 349.410 0.808 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001047478659 764461871 /nfs/dbraw/zinc/46/18/71/764461871.db2.gz AERUQXOXZSATMX-XIRDDKMYSA-N 1 1 341.411 0.639 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001047478659 764461876 /nfs/dbraw/zinc/46/18/76/764461876.db2.gz AERUQXOXZSATMX-XIRDDKMYSA-N 1 1 341.411 0.639 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001052430213 764480307 /nfs/dbraw/zinc/48/03/07/764480307.db2.gz QCVPQJZRXMWELK-CQSZACIVSA-N 1 1 327.450 0.016 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc(C)on2)C1 ZINC000991898940 764495967 /nfs/dbraw/zinc/49/59/67/764495967.db2.gz RDDUAAKYEANWIV-XUJLQICISA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc(C)on2)C1 ZINC000991898940 764495975 /nfs/dbraw/zinc/49/59/75/764495975.db2.gz RDDUAAKYEANWIV-XUJLQICISA-N 1 1 344.415 0.705 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)C1=O ZINC001047497204 764510120 /nfs/dbraw/zinc/51/01/20/764510120.db2.gz RSLFDPOFUACTMP-VBYGDGQVSA-N 1 1 347.459 0.323 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)C1=O ZINC001047497204 764510132 /nfs/dbraw/zinc/51/01/32/764510132.db2.gz RSLFDPOFUACTMP-VBYGDGQVSA-N 1 1 347.459 0.323 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001047501408 764527051 /nfs/dbraw/zinc/52/70/51/764527051.db2.gz BXDOJRDHKWKJKY-XIRDDKMYSA-N 1 1 330.432 0.281 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC001047512071 764555571 /nfs/dbraw/zinc/55/55/71/764555571.db2.gz GMBQNXNKKIIXMZ-GJZGRUSLSA-N 1 1 332.448 0.858 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC001047512071 764555575 /nfs/dbraw/zinc/55/55/75/764555575.db2.gz GMBQNXNKKIIXMZ-GJZGRUSLSA-N 1 1 332.448 0.858 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766844 764571960 /nfs/dbraw/zinc/57/19/60/764571960.db2.gz HGZVBEPZUUCJBC-ZBFHGGJFSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001047527875 764599286 /nfs/dbraw/zinc/59/92/86/764599286.db2.gz JBVUQMHRBAZFST-PVAVHDDUSA-N 1 1 330.432 0.281 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001052492780 764613623 /nfs/dbraw/zinc/61/36/23/764613623.db2.gz YQNTXOHFONJHOX-AWEZNQCLSA-N 1 1 326.462 0.968 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001047553934 764678833 /nfs/dbraw/zinc/67/88/33/764678833.db2.gz FCGRHIUFKZCLIS-JYJNAYRXSA-N 1 1 328.412 0.862 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001047553934 764678838 /nfs/dbraw/zinc/67/88/38/764678838.db2.gz FCGRHIUFKZCLIS-JYJNAYRXSA-N 1 1 328.412 0.862 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001047558244 764691519 /nfs/dbraw/zinc/69/15/19/764691519.db2.gz GXIJQASCGJJIIU-YVSFHVDLSA-N 1 1 328.412 0.935 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001047558244 764691525 /nfs/dbraw/zinc/69/15/25/764691525.db2.gz GXIJQASCGJJIIU-YVSFHVDLSA-N 1 1 328.412 0.935 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001052525786 764691594 /nfs/dbraw/zinc/69/15/94/764691594.db2.gz PCIRTAQZMKKVBG-NSHDSACASA-N 1 1 327.406 0.697 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@@H]2C)cn1 ZINC001088990481 764716423 /nfs/dbraw/zinc/71/64/23/764716423.db2.gz YJOYRPGHCJZFHT-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@@H]2C)cn1 ZINC001088990481 764716425 /nfs/dbraw/zinc/71/64/25/764716425.db2.gz YJOYRPGHCJZFHT-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2NC(=O)CC)C1 ZINC001047568812 764719203 /nfs/dbraw/zinc/71/92/03/764719203.db2.gz MJKGDZRTTRGGLP-HOTGVXAUSA-N 1 1 329.400 0.785 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2NC(=O)CC)C1 ZINC001047568812 764719208 /nfs/dbraw/zinc/71/92/08/764719208.db2.gz MJKGDZRTTRGGLP-HOTGVXAUSA-N 1 1 329.400 0.785 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC ZINC001212193552 764745013 /nfs/dbraw/zinc/74/50/13/764745013.db2.gz GWYAUSCVAMXMGE-BFYDXBDKSA-N 1 1 336.436 0.105 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1OC ZINC001212193715 764755342 /nfs/dbraw/zinc/75/53/42/764755342.db2.gz JPTQRTZEUHRXLE-INMHGKMJSA-N 1 1 328.453 0.802 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)nnn3C)CC1 ZINC001052569019 764775485 /nfs/dbraw/zinc/77/54/85/764775485.db2.gz TWKILVVMAKIBSK-AWEZNQCLSA-N 1 1 326.404 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC001052582316 764797300 /nfs/dbraw/zinc/79/73/00/764797300.db2.gz NFISYPULPMNZIN-KURKYZTESA-N 1 1 349.475 0.470 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2csc(COC)n2)C1 ZINC001047590350 764799501 /nfs/dbraw/zinc/79/95/01/764799501.db2.gz BKWHWNRGVJNSDY-KBPBESRZSA-N 1 1 339.461 0.912 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001047591262 764804279 /nfs/dbraw/zinc/80/42/79/764804279.db2.gz UCWMWZCCXLNSAT-GJZGRUSLSA-N 1 1 331.420 0.380 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001047591262 764804286 /nfs/dbraw/zinc/80/42/86/764804286.db2.gz UCWMWZCCXLNSAT-GJZGRUSLSA-N 1 1 331.420 0.380 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001047599356 764838481 /nfs/dbraw/zinc/83/84/81/764838481.db2.gz SPODYWVNSXAFIU-HOTGVXAUSA-N 1 1 346.431 0.525 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001015530945 764898301 /nfs/dbraw/zinc/89/83/01/764898301.db2.gz OARFXCSNCBVNQU-HOTGVXAUSA-N 1 1 326.400 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc(C)n[nH]2)C1 ZINC000991950985 764900380 /nfs/dbraw/zinc/90/03/80/764900380.db2.gz AEAQNNILDIPCIH-XUJLQICISA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc(C)n[nH]2)C1 ZINC000991950985 764900391 /nfs/dbraw/zinc/90/03/91/764900391.db2.gz AEAQNNILDIPCIH-XUJLQICISA-N 1 1 343.431 0.440 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001047623886 764910825 /nfs/dbraw/zinc/91/08/25/764910825.db2.gz UGQUNQFZVALTRX-IRXDYDNUSA-N 1 1 341.415 0.592 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001047624207 764912502 /nfs/dbraw/zinc/91/25/02/764912502.db2.gz IQOBNXGADVQZKM-HOTGVXAUSA-N 1 1 346.431 0.184 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001047624207 764912510 /nfs/dbraw/zinc/91/25/10/764912510.db2.gz IQOBNXGADVQZKM-HOTGVXAUSA-N 1 1 346.431 0.184 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)csc2=O)C1 ZINC001047624524 764913458 /nfs/dbraw/zinc/91/34/58/764913458.db2.gz PPRSYJOUYIAAFU-KBPBESRZSA-N 1 1 339.461 0.688 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001052643214 764922705 /nfs/dbraw/zinc/92/27/05/764922705.db2.gz XMOYKUGQKOBEOE-DZGCQCFKSA-N 1 1 334.420 0.605 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1=O ZINC001015545582 764923765 /nfs/dbraw/zinc/92/37/65/764923765.db2.gz LMKBCCKZPQBXNL-SJORKVTESA-N 1 1 325.412 0.707 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1=O ZINC001015545582 764923773 /nfs/dbraw/zinc/92/37/73/764923773.db2.gz LMKBCCKZPQBXNL-SJORKVTESA-N 1 1 325.412 0.707 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001052670362 764970125 /nfs/dbraw/zinc/97/01/25/764970125.db2.gz DEOJWTDAHTUBHK-MNOVXSKESA-N 1 1 345.241 0.547 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001052670362 764970133 /nfs/dbraw/zinc/97/01/33/764970133.db2.gz DEOJWTDAHTUBHK-MNOVXSKESA-N 1 1 345.241 0.547 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC001052695191 764999574 /nfs/dbraw/zinc/99/95/74/764999574.db2.gz GYVGMDXHNNQQOQ-INIZCTEOSA-N 1 1 328.416 0.735 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3csc(=O)[nH]3)C2)C1=O ZINC001015583959 765001129 /nfs/dbraw/zinc/00/11/29/765001129.db2.gz KVFBUXYUXPMHMI-ZYHUDNBSSA-N 1 1 336.417 0.440 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3csc(=O)[nH]3)C2)C1=O ZINC001015583959 765001137 /nfs/dbraw/zinc/00/11/37/765001137.db2.gz KVFBUXYUXPMHMI-ZYHUDNBSSA-N 1 1 336.417 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)C2=COCCC2)C1 ZINC000991975629 765025320 /nfs/dbraw/zinc/02/53/20/765025320.db2.gz PHNMIQLEXILWGP-PREGVCBESA-N 1 1 345.443 0.789 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)C2=COCCC2)C1 ZINC000991975629 765025323 /nfs/dbraw/zinc/02/53/23/765025323.db2.gz PHNMIQLEXILWGP-PREGVCBESA-N 1 1 345.443 0.789 20 30 ECEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CN(C)C(=O)COC ZINC001099102322 765055586 /nfs/dbraw/zinc/05/55/86/765055586.db2.gz MCFADVKLJBRVGO-OAHLLOKOSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001015612109 765060511 /nfs/dbraw/zinc/06/05/11/765060511.db2.gz RWRKMNXHIKBQHG-KBPBESRZSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001015612109 765060514 /nfs/dbraw/zinc/06/05/14/765060514.db2.gz RWRKMNXHIKBQHG-KBPBESRZSA-N 1 1 331.420 0.320 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991988198 765077346 /nfs/dbraw/zinc/07/73/46/765077346.db2.gz QLKAWENSFLEMAA-KBMXLJTQSA-N 1 1 335.448 0.636 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000991992694 765087311 /nfs/dbraw/zinc/08/73/11/765087311.db2.gz LHMOKTYPPJJKPG-IMRCBTMISA-N 1 1 340.427 0.782 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1c[nH]c(=O)cn1 ZINC001015625997 765096979 /nfs/dbraw/zinc/09/69/79/765096979.db2.gz FRCYOSUYOYCUJF-OAHLLOKOSA-N 1 1 340.358 0.765 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1c[nH]c(=O)cn1 ZINC001015625997 765096989 /nfs/dbraw/zinc/09/69/89/765096989.db2.gz FRCYOSUYOYCUJF-OAHLLOKOSA-N 1 1 340.358 0.765 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1 ZINC001052784458 765117019 /nfs/dbraw/zinc/11/70/19/765117019.db2.gz QWVKPKBYTUUHSH-GOEBONIOSA-N 1 1 326.462 0.948 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786269 765118668 /nfs/dbraw/zinc/11/86/68/765118668.db2.gz SFXXBRXONWFYDE-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccncn3)CC2)C1=O ZINC001052804705 765154122 /nfs/dbraw/zinc/15/41/22/765154122.db2.gz AQYXDLODJVNQAR-GDBMZVCRSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ncccn3)CC2)C1=O ZINC001052811917 765165223 /nfs/dbraw/zinc/16/52/23/765165223.db2.gz UOOJMSDYLDRDQS-HUUCEWRRSA-N 1 1 343.431 0.848 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)CCNC1=O ZINC001015694995 765175233 /nfs/dbraw/zinc/17/52/33/765175233.db2.gz DPVQFBRVMHCUHQ-LPHOPBHVSA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CCNC1=O ZINC001015694995 765175237 /nfs/dbraw/zinc/17/52/37/765175237.db2.gz DPVQFBRVMHCUHQ-LPHOPBHVSA-N 1 1 325.412 0.755 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 ZINC001015695387 765177144 /nfs/dbraw/zinc/17/71/44/765177144.db2.gz JSAUENLTVQRGCF-OWCLPIDISA-N 1 1 342.399 0.282 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 ZINC001015695387 765177148 /nfs/dbraw/zinc/17/71/48/765177148.db2.gz JSAUENLTVQRGCF-OWCLPIDISA-N 1 1 342.399 0.282 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000992030043 765208859 /nfs/dbraw/zinc/20/88/59/765208859.db2.gz WSIGYWHAAVTKJC-QRTARXTBSA-N 1 1 335.448 0.779 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1F ZINC001015712200 765214988 /nfs/dbraw/zinc/21/49/88/765214988.db2.gz ZYGVKWBWFCDKMO-MCIONIFRSA-N 1 1 330.363 0.509 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1F ZINC001015712200 765214997 /nfs/dbraw/zinc/21/49/97/765214997.db2.gz ZYGVKWBWFCDKMO-MCIONIFRSA-N 1 1 330.363 0.509 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000992039985 765254789 /nfs/dbraw/zinc/25/47/89/765254789.db2.gz XGBDOZSQKYBSGC-HGMXIMQMSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)[nH]nc2Cl)C1 ZINC000993165334 768283237 /nfs/dbraw/zinc/28/32/37/768283237.db2.gz VFIPATLAEQCWSG-LBPRGKRZSA-N 1 1 349.822 0.410 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)[nH]nc2Cl)C1 ZINC000993165334 768283239 /nfs/dbraw/zinc/28/32/39/768283239.db2.gz VFIPATLAEQCWSG-LBPRGKRZSA-N 1 1 349.822 0.410 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001052920179 765349126 /nfs/dbraw/zinc/34/91/26/765349126.db2.gz VHQDASIORTYNCF-GFCCVEGCSA-N 1 1 342.827 0.604 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001052929608 765367710 /nfs/dbraw/zinc/36/77/10/765367710.db2.gz NCIFKWUCKQISCM-NSHDSACASA-N 1 1 340.811 0.823 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)CSCC#N)[C@H](C)C1 ZINC001052986275 765462050 /nfs/dbraw/zinc/46/20/50/765462050.db2.gz FKLMKZMIYMFQAI-TZMCWYRMSA-N 1 1 349.460 0.659 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1C#N ZINC001106092274 765580527 /nfs/dbraw/zinc/58/05/27/765580527.db2.gz AYENTHYBXSYDBC-DUVNUKRYSA-N 1 1 345.447 0.881 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H](O)CNc2nc(C)[nH+]c(C)c2C)c1 ZINC001106097099 765634638 /nfs/dbraw/zinc/63/46/38/765634638.db2.gz YHESKKNASWGHGQ-INIZCTEOSA-N 1 1 339.399 0.981 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001077496957 765673615 /nfs/dbraw/zinc/67/36/15/765673615.db2.gz MZCYFUISKPGYRO-BBWFWOEESA-N 1 1 348.491 0.437 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)C1=O ZINC001016000270 765697242 /nfs/dbraw/zinc/69/72/42/765697242.db2.gz AXFQZEADOYGLSK-KBPBESRZSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)C1=O ZINC001016000270 765697244 /nfs/dbraw/zinc/69/72/44/765697244.db2.gz AXFQZEADOYGLSK-KBPBESRZSA-N 1 1 345.447 0.665 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001016021574 765726530 /nfs/dbraw/zinc/72/65/30/765726530.db2.gz YLMIJENNUZEKAR-HNNXBMFYSA-N 1 1 339.399 0.794 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1CCN1CCNC1=O ZINC000993173099 768316659 /nfs/dbraw/zinc/31/66/59/768316659.db2.gz TWSLCHKJEQRNKA-OCCSQVGLSA-N 1 1 344.419 0.494 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001016109664 765794037 /nfs/dbraw/zinc/79/40/37/765794037.db2.gz DTZNJACCLOFJIN-SJORKVTESA-N 1 1 325.412 0.632 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001016109664 765794041 /nfs/dbraw/zinc/79/40/41/765794041.db2.gz DTZNJACCLOFJIN-SJORKVTESA-N 1 1 325.412 0.632 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016113996 765798909 /nfs/dbraw/zinc/79/89/09/765798909.db2.gz NYXYDASFJXUYHW-QGZVFWFLSA-N 1 1 325.412 0.680 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016113996 765798917 /nfs/dbraw/zinc/79/89/17/765798917.db2.gz NYXYDASFJXUYHW-QGZVFWFLSA-N 1 1 325.412 0.680 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001016114706 765800057 /nfs/dbraw/zinc/80/00/57/765800057.db2.gz TWRUMUDHZOPQIE-QGZVFWFLSA-N 1 1 340.427 0.426 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001016115608 765800715 /nfs/dbraw/zinc/80/07/15/765800715.db2.gz ZJFUWMKQPKBRJR-DLBZAZTESA-N 1 1 325.412 0.680 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001016115608 765800724 /nfs/dbraw/zinc/80/07/24/765800724.db2.gz ZJFUWMKQPKBRJR-DLBZAZTESA-N 1 1 325.412 0.680 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)C2CCOCC2)C1 ZINC001016163923 765858099 /nfs/dbraw/zinc/85/80/99/765858099.db2.gz NILRGXUTOCGJTJ-JCYILVPMSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)C2CCOCC2)C1 ZINC001016163923 765858105 /nfs/dbraw/zinc/85/81/05/765858105.db2.gz NILRGXUTOCGJTJ-JCYILVPMSA-N 1 1 347.459 0.616 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)n[nH]1 ZINC001053263562 765865282 /nfs/dbraw/zinc/86/52/82/765865282.db2.gz PBXMKUPGJOUAGH-OAHLLOKOSA-N 1 1 344.419 0.227 20 30 ECEDMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)n[nH]1 ZINC001053263562 765865290 /nfs/dbraw/zinc/86/52/90/765865290.db2.gz PBXMKUPGJOUAGH-OAHLLOKOSA-N 1 1 344.419 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ncc[nH]2)C1 ZINC000992209453 765911223 /nfs/dbraw/zinc/91/12/23/765911223.db2.gz XTKXNXASXXGWJZ-RUXDESIVSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ncc[nH]2)C1 ZINC000992209453 765911227 /nfs/dbraw/zinc/91/12/27/765911227.db2.gz XTKXNXASXXGWJZ-RUXDESIVSA-N 1 1 329.404 0.132 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cnc3n[nH]nc3c1)CCO2 ZINC001053288180 765913264 /nfs/dbraw/zinc/91/32/64/765913264.db2.gz FPGYKAQAHTXGAS-UHFFFAOYSA-N 1 1 342.403 0.846 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)C2)cc1 ZINC001016271967 766013366 /nfs/dbraw/zinc/01/33/66/766013366.db2.gz IPTFJDIWNGMNQP-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CCO2 ZINC001053393325 766073895 /nfs/dbraw/zinc/07/38/95/766073895.db2.gz LEZLTKRWCDAGSI-INIZCTEOSA-N 1 1 337.464 0.585 20 30 ECEDMO C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CCO2 ZINC001053393325 766073901 /nfs/dbraw/zinc/07/39/01/766073901.db2.gz LEZLTKRWCDAGSI-INIZCTEOSA-N 1 1 337.464 0.585 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)[C@@H](O)C1 ZINC001083684112 766085702 /nfs/dbraw/zinc/08/57/02/766085702.db2.gz FYSUIPZBQJIPNL-IMJJTQAJSA-N 1 1 327.384 0.297 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)[C@@H](O)C1 ZINC001083684112 766085709 /nfs/dbraw/zinc/08/57/09/766085709.db2.gz FYSUIPZBQJIPNL-IMJJTQAJSA-N 1 1 327.384 0.297 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)C2=COCCC2)C1 ZINC001016313739 766097788 /nfs/dbraw/zinc/09/77/88/766097788.db2.gz BHQIDQBRPBWDKT-JCYILVPMSA-N 1 1 345.443 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)C2=COCCC2)C1 ZINC001016313739 766097795 /nfs/dbraw/zinc/09/77/95/766097795.db2.gz BHQIDQBRPBWDKT-JCYILVPMSA-N 1 1 345.443 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001016341959 766152437 /nfs/dbraw/zinc/15/24/37/766152437.db2.gz XGPZHVXDTWJHPI-ZDUSSCGKSA-N 1 1 334.424 0.137 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)cc1 ZINC000992294184 766175262 /nfs/dbraw/zinc/17/52/62/766175262.db2.gz QLLMTLWBDFQYCZ-QFBILLFUSA-N 1 1 341.411 0.911 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)cc1 ZINC000992294184 766175266 /nfs/dbraw/zinc/17/52/66/766175266.db2.gz QLLMTLWBDFQYCZ-QFBILLFUSA-N 1 1 341.411 0.911 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC001016371429 766194422 /nfs/dbraw/zinc/19/44/22/766194422.db2.gz KSFGEBXZMQGBGE-GALLPEHLSA-N 1 1 343.431 0.946 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 ZINC000992301548 766199302 /nfs/dbraw/zinc/19/93/02/766199302.db2.gz ZXEFPWKKJHELMB-OGHNNQOOSA-N 1 1 334.420 0.664 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H]2CCNC2=O)CC3)nn1 ZINC000992301221 766200813 /nfs/dbraw/zinc/20/08/13/766200813.db2.gz GHUUCDKUSMWERJ-ZQIUZPCESA-N 1 1 344.419 0.079 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(=O)N(C)C)CC3)nn1 ZINC000992304540 766215746 /nfs/dbraw/zinc/21/57/46/766215746.db2.gz MOGFCPHMQKIJMP-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)N(C)C)CC3)nn1 ZINC000992304540 766215752 /nfs/dbraw/zinc/21/57/52/766215752.db2.gz MOGFCPHMQKIJMP-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO N#CCN1CC2(C1)CN(C(=O)c1cnn(-c3cc[nH+]cc3)c1)CCO2 ZINC001053486587 766220502 /nfs/dbraw/zinc/22/05/02/766220502.db2.gz XTQOFWDDICMJLO-UHFFFAOYSA-N 1 1 338.371 0.318 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCN(C)S3(=O)=O)CCC[C@@H]12 ZINC000992312259 766238101 /nfs/dbraw/zinc/23/81/01/766238101.db2.gz PANMKNWFMALFLM-UMVBOHGHSA-N 1 1 327.450 0.320 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)nn1 ZINC000992313257 766239996 /nfs/dbraw/zinc/23/99/96/766239996.db2.gz CSIHYJMOYSBIGM-RHSMWYFYSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)nn1 ZINC000992313257 766240004 /nfs/dbraw/zinc/24/00/04/766240004.db2.gz CSIHYJMOYSBIGM-RHSMWYFYSA-N 1 1 346.435 0.327 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001016419742 766264791 /nfs/dbraw/zinc/26/47/91/766264791.db2.gz BLQLMUJOUILWRR-UHFFFAOYSA-N 1 1 340.387 0.811 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cnn(C)c1OC)CCO2 ZINC001053520297 766273552 /nfs/dbraw/zinc/27/35/52/766273552.db2.gz NIOARNTYZRPIFO-UHFFFAOYSA-N 1 1 334.420 0.922 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](O)C1 ZINC001083689179 766289995 /nfs/dbraw/zinc/28/99/95/766289995.db2.gz HAZUXWHYBUJNDS-KGLIPLIRSA-N 1 1 334.420 0.138 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cncc(C(N)=O)c1)CCO2 ZINC001053535193 766296345 /nfs/dbraw/zinc/29/63/45/766296345.db2.gz DRGKEVUAZBXQKX-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H](C)N1CCOCC1)CCO2 ZINC001053552686 766322503 /nfs/dbraw/zinc/32/25/03/766322503.db2.gz AWZOBPKAMDUVAW-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4cnon4)CCC[C@@H]23)C1=O ZINC000992344820 766330905 /nfs/dbraw/zinc/33/09/05/766330905.db2.gz JFDSSWUMWBWDMM-VBQJREDUSA-N 1 1 345.403 0.583 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)[C@@H](O)C1 ZINC001083690154 766342694 /nfs/dbraw/zinc/34/26/94/766342694.db2.gz FETKWDYUGWOTRF-OLZOCXBDSA-N 1 1 332.404 0.412 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045768213 766344192 /nfs/dbraw/zinc/34/41/92/766344192.db2.gz AXVOLOYNUVDNIJ-OAHLLOKOSA-N 1 1 335.448 0.517 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045772946 766351287 /nfs/dbraw/zinc/35/12/87/766351287.db2.gz SHNPYBRXHSBNNX-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2O)cc1 ZINC001083691244 766367755 /nfs/dbraw/zinc/36/77/55/766367755.db2.gz GFZNBDHGFFIQNN-ZACQAIPSSA-N 1 1 341.411 0.064 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2O)cc1 ZINC001083691244 766367765 /nfs/dbraw/zinc/36/77/65/766367765.db2.gz GFZNBDHGFFIQNN-ZACQAIPSSA-N 1 1 341.411 0.064 20 30 ECEDMO COC[C@@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)O2 ZINC001053590258 766383520 /nfs/dbraw/zinc/38/35/20/766383520.db2.gz CYGVZIKIMYAAIU-TZMCWYRMSA-N 1 1 332.404 0.884 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)nnn1CC)O2 ZINC001053611813 766432317 /nfs/dbraw/zinc/43/23/17/766432317.db2.gz ZTFVGMRLPYWPLZ-AWEZNQCLSA-N 1 1 331.420 0.593 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn3c1OCCC3)O2 ZINC001053624146 766462990 /nfs/dbraw/zinc/46/29/90/766462990.db2.gz KPNBFGNEACZICS-CQSZACIVSA-N 1 1 344.415 0.652 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@H]12 ZINC000992397243 766476497 /nfs/dbraw/zinc/47/64/97/766476497.db2.gz OCKRRDMBASSTER-SUMWQHHRSA-N 1 1 332.404 0.017 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001015179754 766511872 /nfs/dbraw/zinc/51/18/72/766511872.db2.gz YCLKPCFJGHAZEK-CQSZACIVSA-N 1 1 334.420 0.660 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001045957351 766528652 /nfs/dbraw/zinc/52/86/52/766528652.db2.gz ZZVYDSCULSXBGA-IBGZPJMESA-N 1 1 346.475 0.146 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@@H]12 ZINC000992423571 766540977 /nfs/dbraw/zinc/54/09/77/766540977.db2.gz GFGMKJZPNWONLL-CXAGYDPISA-N 1 1 334.420 0.618 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3cccn4nnnc34)C2)c1 ZINC001031697420 766547383 /nfs/dbraw/zinc/54/73/83/766547383.db2.gz OERXHSHWXLIBRN-UHFFFAOYSA-N 1 1 347.382 0.858 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](N3CCN(C(=O)CC)CC3)C2)C1=O ZINC001045990466 766568013 /nfs/dbraw/zinc/56/80/13/766568013.db2.gz VAZMQKBUJQVFOM-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(CCC)nn1)O2 ZINC001053685656 766583393 /nfs/dbraw/zinc/58/33/93/766583393.db2.gz WFMYLIAVKXXSHL-CQSZACIVSA-N 1 1 331.420 0.675 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 ZINC001045998678 766595341 /nfs/dbraw/zinc/59/53/41/766595341.db2.gz CHFMQBRIWPJJPB-QGZVFWFLSA-N 1 1 330.432 0.728 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)O2 ZINC001053696285 766608342 /nfs/dbraw/zinc/60/83/42/766608342.db2.gz FQJCHTNZDFPRHJ-INIZCTEOSA-N 1 1 341.411 0.772 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncnc3C)CC2)C1 ZINC001046006338 766615134 /nfs/dbraw/zinc/61/51/34/766615134.db2.gz JOYZHKYTHAUNSP-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc(C)cn3)CC2)C1 ZINC001046006258 766615217 /nfs/dbraw/zinc/61/52/17/766615217.db2.gz IECIKBQQXKRZCM-QGZVFWFLSA-N 1 1 331.464 0.986 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc(OCC)cn1)O2 ZINC001053705281 766632172 /nfs/dbraw/zinc/63/21/72/766632172.db2.gz YYEHGWCSGPZWNU-AWEZNQCLSA-N 1 1 344.415 0.862 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@H]12 ZINC000992463381 766633729 /nfs/dbraw/zinc/63/37/29/766633729.db2.gz JMQJEFZTEDOVAW-GUYCJALGSA-N 1 1 334.420 0.570 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)ncn1 ZINC001046011637 766637054 /nfs/dbraw/zinc/63/70/54/766637054.db2.gz FNNGFSFRRZDZIS-WMLDXEAASA-N 1 1 342.447 0.663 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 ZINC001046012678 766639467 /nfs/dbraw/zinc/63/94/67/766639467.db2.gz BECWBSALECUSAY-DLBZAZTESA-N 1 1 336.480 0.112 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@H]12 ZINC000992466958 766644508 /nfs/dbraw/zinc/64/45/08/766644508.db2.gz SSJLMGJDIGQRBE-SUMWQHHRSA-N 1 1 334.420 0.570 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 ZINC001046023589 766673995 /nfs/dbraw/zinc/67/39/95/766673995.db2.gz QSSVZSWFUUAITQ-CQSZACIVSA-N 1 1 334.420 0.387 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046028780 766693277 /nfs/dbraw/zinc/69/32/77/766693277.db2.gz VNNAHVUXSPPCFJ-KRWDZBQOSA-N 1 1 327.432 0.261 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cnccn2)C1 ZINC001016667475 766693650 /nfs/dbraw/zinc/69/36/50/766693650.db2.gz ADRRGYXPZUSZOL-XUJLQICISA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cnccn2)C1 ZINC001016667475 766693656 /nfs/dbraw/zinc/69/36/56/766693656.db2.gz ADRRGYXPZUSZOL-XUJLQICISA-N 1 1 341.415 0.293 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC001046029974 766695623 /nfs/dbraw/zinc/69/56/23/766695623.db2.gz HCQGOURNEYXJFI-OAHLLOKOSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1 ZINC001046029971 766695892 /nfs/dbraw/zinc/69/58/92/766695892.db2.gz HBPFGOYPQMKULB-BZSNNMDCSA-N 1 1 333.476 0.899 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(Cl)cnn3C)CC2)C1 ZINC001046030309 766697003 /nfs/dbraw/zinc/69/70/03/766697003.db2.gz OGMHCGYRLINKSI-ZDUSSCGKSA-N 1 1 335.839 0.539 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000994752043 766699967 /nfs/dbraw/zinc/69/99/67/766699967.db2.gz PDXIRTXQCIKIIE-PTZVLDCSSA-N 1 1 326.400 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000994752043 766699969 /nfs/dbraw/zinc/69/99/69/766699969.db2.gz PDXIRTXQCIKIIE-PTZVLDCSSA-N 1 1 326.400 0.453 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cncc(C(N)=O)c3)CCC[C@H]12 ZINC000992490453 766702207 /nfs/dbraw/zinc/70/22/07/766702207.db2.gz DJJOQACCWDEXPC-MAUKXSAKSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC000994752589 766703381 /nfs/dbraw/zinc/70/33/81/766703381.db2.gz SUCPKFGZDFHYBH-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC000994752589 766703385 /nfs/dbraw/zinc/70/33/85/766703385.db2.gz SUCPKFGZDFHYBH-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)nc(C)n2)C1 ZINC000994752765 766703815 /nfs/dbraw/zinc/70/38/15/766703815.db2.gz VDYMOXYWFLFLMF-INIZCTEOSA-N 1 1 341.415 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)nc(C)n2)C1 ZINC000994752765 766703822 /nfs/dbraw/zinc/70/38/22/766703822.db2.gz VDYMOXYWFLFLMF-INIZCTEOSA-N 1 1 341.415 0.132 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccn(CC)n3)CC2)C1 ZINC001046032099 766704699 /nfs/dbraw/zinc/70/46/99/766704699.db2.gz CQVFYRUNBNGLFL-KRWDZBQOSA-N 1 1 329.448 0.297 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnn3C(F)F)CC2)C1 ZINC001046032483 766705515 /nfs/dbraw/zinc/70/55/15/766705515.db2.gz DLFUHWLPZWWDNA-ZDUSSCGKSA-N 1 1 337.374 0.744 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2cccnc2)C1 ZINC000994754273 766705622 /nfs/dbraw/zinc/70/56/22/766705622.db2.gz KQNBSBRNPXKWGN-KRWDZBQOSA-N 1 1 340.427 0.439 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2cccnc2)C1 ZINC000994754273 766705632 /nfs/dbraw/zinc/70/56/32/766705632.db2.gz KQNBSBRNPXKWGN-KRWDZBQOSA-N 1 1 340.427 0.439 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC000994754930 766707719 /nfs/dbraw/zinc/70/77/19/766707719.db2.gz OPWXTWKXBMKAIS-JQWIXIFHSA-N 1 1 331.338 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC000994754930 766707722 /nfs/dbraw/zinc/70/77/22/766707722.db2.gz OPWXTWKXBMKAIS-JQWIXIFHSA-N 1 1 331.338 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCCO2)C1 ZINC000994753304 766709511 /nfs/dbraw/zinc/70/95/11/766709511.db2.gz YKEBLULEIZIKPS-CVEARBPZSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCCO2)C1 ZINC000994753304 766709517 /nfs/dbraw/zinc/70/95/17/766709517.db2.gz YKEBLULEIZIKPS-CVEARBPZSA-N 1 1 333.432 0.370 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033542 766710070 /nfs/dbraw/zinc/71/00/70/766710070.db2.gz HEWFPKQDYNELHW-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)Cc2ccco2)C1 ZINC000994753533 766710903 /nfs/dbraw/zinc/71/09/03/766710903.db2.gz HYYGVCQOORLNMB-YOEHRIQHSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)Cc2ccco2)C1 ZINC000994753533 766710905 /nfs/dbraw/zinc/71/09/05/766710905.db2.gz HYYGVCQOORLNMB-YOEHRIQHSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccc(CC)n2)C1 ZINC000994755301 766716112 /nfs/dbraw/zinc/71/61/12/766716112.db2.gz QVRQTWHGWKXKCG-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccc(CC)n2)C1 ZINC000994755301 766716119 /nfs/dbraw/zinc/71/61/19/766716119.db2.gz QVRQTWHGWKXKCG-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc4c([nH]3)CCOC4)CC2)C1 ZINC001046035234 766719493 /nfs/dbraw/zinc/71/94/93/766719493.db2.gz HNQNRLHWXNYUTA-INIZCTEOSA-N 1 1 342.443 0.553 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4ccncc34)CC2)C1 ZINC001046035233 766719818 /nfs/dbraw/zinc/71/98/18/766719818.db2.gz HMFUSXRTAJIFEH-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@H]12 ZINC000992499664 766720536 /nfs/dbraw/zinc/72/05/36/766720536.db2.gz NQCFZVMUWVYNLT-MBNYWOFBSA-N 1 1 347.868 0.544 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@H]12 ZINC000992499664 766720540 /nfs/dbraw/zinc/72/05/40/766720540.db2.gz NQCFZVMUWVYNLT-MBNYWOFBSA-N 1 1 347.868 0.544 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000994755782 766721550 /nfs/dbraw/zinc/72/15/50/766721550.db2.gz SGWHFESNILTEMH-INIZCTEOSA-N 1 1 343.431 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000994755782 766721555 /nfs/dbraw/zinc/72/15/55/766721555.db2.gz SGWHFESNILTEMH-INIZCTEOSA-N 1 1 343.431 0.571 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnn4ncccc34)CC2)C1 ZINC001046036240 766725328 /nfs/dbraw/zinc/72/53/28/766725328.db2.gz DNHCWRIJPIYUPF-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)C1 ZINC001046036183 766725630 /nfs/dbraw/zinc/72/56/30/766725630.db2.gz CBLBNPFAIKWCCH-VQIMIIECSA-N 1 1 348.491 0.697 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2C)C1 ZINC001041998207 782575041 /nfs/dbraw/zinc/57/50/41/782575041.db2.gz DTUICCLCWYWRJM-YUELXQCFSA-N 1 1 344.419 0.010 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2C)C1 ZINC001041998207 782575045 /nfs/dbraw/zinc/57/50/45/782575045.db2.gz DTUICCLCWYWRJM-YUELXQCFSA-N 1 1 344.419 0.010 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nc(CC)c[nH]3)CC2)C1 ZINC001046036396 766727451 /nfs/dbraw/zinc/72/74/51/766727451.db2.gz ITQJGFQLZAVFCJ-INIZCTEOSA-N 1 1 329.448 0.366 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)COc3cc(C)on3)CC2)C1 ZINC001046036681 766728609 /nfs/dbraw/zinc/72/86/09/766728609.db2.gz DXXKSOBWEUYTQK-MRXNPFEDSA-N 1 1 346.431 0.604 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC001046037096 766731048 /nfs/dbraw/zinc/73/10/48/766731048.db2.gz LXFSVIMPPHNGEC-HNNXBMFYSA-N 1 1 329.404 0.038 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3COC)CC2)C1 ZINC001046038459 766738246 /nfs/dbraw/zinc/73/82/46/766738246.db2.gz MIXQUVGIOQGLID-HNNXBMFYSA-N 1 1 347.463 0.585 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC001046038441 766738261 /nfs/dbraw/zinc/73/82/61/766738261.db2.gz DNLDMXJFXWRBDZ-HNNXBMFYSA-N 1 1 345.447 0.981 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CC4)[C@@H]3C2)c1 ZINC001041999000 782576415 /nfs/dbraw/zinc/57/64/15/782576415.db2.gz CYOMLLRCHJJAPI-CZUORRHYSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CC4)[C@@H]3C2)c1 ZINC001041999000 782576423 /nfs/dbraw/zinc/57/64/23/782576423.db2.gz CYOMLLRCHJJAPI-CZUORRHYSA-N 1 1 341.415 0.701 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2C)C1 ZINC001041999298 782576967 /nfs/dbraw/zinc/57/69/67/782576967.db2.gz WZROWKCBAWUCJW-MGPQQGTHSA-N 1 1 344.419 0.010 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnnc3C)CC2)C1 ZINC001046040954 766749120 /nfs/dbraw/zinc/74/91/20/766749120.db2.gz ALHLIWGLACPPFL-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)C1 ZINC001046040934 766750027 /nfs/dbraw/zinc/75/00/27/766750027.db2.gz MAWWGDFBGPTKDU-QGZVFWFLSA-N 1 1 340.427 0.251 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2C)C1 ZINC001041999298 782576972 /nfs/dbraw/zinc/57/69/72/782576972.db2.gz WZROWKCBAWUCJW-MGPQQGTHSA-N 1 1 344.419 0.010 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC001046042251 766755290 /nfs/dbraw/zinc/75/52/90/766755290.db2.gz SMAVLMRWUXJIGF-MSOLQXFVSA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)n(C)n3)CC2)C1 ZINC001046044203 766765816 /nfs/dbraw/zinc/76/58/16/766765816.db2.gz KFLYDKMEOTUBMQ-HNNXBMFYSA-N 1 1 347.463 0.837 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC001046044717 766767852 /nfs/dbraw/zinc/76/78/52/766767852.db2.gz PUJDCYFWJLZKLM-MRXNPFEDSA-N 1 1 344.459 0.794 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3occ4c3CCOC4)CC2)C1 ZINC001046046455 766774637 /nfs/dbraw/zinc/77/46/37/766774637.db2.gz DJVHGOOPEWJFLR-INIZCTEOSA-N 1 1 343.427 0.818 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C(N)=O)cn3)CCC[C@@H]12 ZINC000992525584 766778592 /nfs/dbraw/zinc/77/85/92/766778592.db2.gz WNPZADZOJRYLMB-CRAIPNDOSA-N 1 1 326.400 0.931 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1 ZINC001046047942 766779264 /nfs/dbraw/zinc/77/92/64/766779264.db2.gz MECYGOPFZACOJA-XWTMOSNGSA-N 1 1 349.475 0.442 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3nc(C)no3)CC2)C1 ZINC001046049231 766782554 /nfs/dbraw/zinc/78/25/54/766782554.db2.gz LLDSXIFGPGJWOP-INIZCTEOSA-N 1 1 345.447 0.552 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(C(N)=O)nc3)CCC[C@@H]12 ZINC000992530098 766782720 /nfs/dbraw/zinc/78/27/20/766782720.db2.gz JGPZFMULKJFHRD-CRAIPNDOSA-N 1 1 326.400 0.931 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3ccnc3)CC2)C1 ZINC001046049153 766783082 /nfs/dbraw/zinc/78/30/82/766783082.db2.gz LCFTZYOLMKVECA-QGZVFWFLSA-N 1 1 329.448 0.515 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1 ZINC001046051315 766790103 /nfs/dbraw/zinc/79/01/03/766790103.db2.gz FDVFTELLEMYHSR-CQSZACIVSA-N 1 1 333.436 0.534 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H](C)n3ccc(C)n3)CC2)C1 ZINC001046051197 766790325 /nfs/dbraw/zinc/79/03/25/766790325.db2.gz YEJYZQQZXNHFLT-QZTJIDSGSA-N 1 1 343.475 0.994 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](C[C@H](C)O)C3)CC2)cc1 ZINC001046051257 766790661 /nfs/dbraw/zinc/79/06/61/766790661.db2.gz ZXPZXLFDKTZXQA-LPHOPBHVSA-N 1 1 341.455 0.881 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cn(CC(=O)N(C)C)nn3)CCC[C@@H]12 ZINC000992531234 766793730 /nfs/dbraw/zinc/79/37/30/766793730.db2.gz UUEVZVTYRVYOMK-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(C)n3C)CC2)C1 ZINC001046055560 766805530 /nfs/dbraw/zinc/80/55/30/766805530.db2.gz ZQUZXWUSXYKTEB-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4n3CCCC4)CC2)C1 ZINC001046055980 766808319 /nfs/dbraw/zinc/80/83/19/766808319.db2.gz LZGKUABRCFCZLZ-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046056300 766809027 /nfs/dbraw/zinc/80/90/27/766809027.db2.gz QCLPTZUHAPWWTJ-LPHOPBHVSA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC001046060156 766823715 /nfs/dbraw/zinc/82/37/15/766823715.db2.gz WLFXGXMTTCHJGD-AWEZNQCLSA-N 1 1 332.404 0.397 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1 ZINC001046060328 766826500 /nfs/dbraw/zinc/82/65/00/766826500.db2.gz ASQYIKSDRSORHU-HNNXBMFYSA-N 1 1 347.463 0.924 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001046060328 766826509 /nfs/dbraw/zinc/82/65/09/766826509.db2.gz ASQYIKSDRSORHU-HNNXBMFYSA-N 1 1 347.463 0.924 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001046060328 766826520 /nfs/dbraw/zinc/82/65/20/766826520.db2.gz ASQYIKSDRSORHU-HNNXBMFYSA-N 1 1 347.463 0.924 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1 ZINC001046062070 766832341 /nfs/dbraw/zinc/83/23/41/766832341.db2.gz ARXMDPMKXXEFFJ-BRWVUGGUSA-N 1 1 341.459 0.375 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn(C(C)C)n3)CC2)C1 ZINC001046066393 766852936 /nfs/dbraw/zinc/85/29/36/766852936.db2.gz LLNCQLZVMGSVEK-INIZCTEOSA-N 1 1 329.448 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)C1 ZINC001046066214 766853640 /nfs/dbraw/zinc/85/36/40/766853640.db2.gz ALACXDOHFVQVNL-OAHLLOKOSA-N 1 1 327.432 0.752 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn(CC)n3)CC2)C1 ZINC001046071548 766879399 /nfs/dbraw/zinc/87/93/99/766879399.db2.gz YNIAIMGJXUJTBE-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)n(CC)n3)CC2)C1 ZINC001046072093 766879885 /nfs/dbraw/zinc/87/98/85/766879885.db2.gz SDSCKXWWCRAINM-HNNXBMFYSA-N 1 1 345.447 0.281 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)c[nH]c3=O)CC2)C1 ZINC001046072571 766882804 /nfs/dbraw/zinc/88/28/04/766882804.db2.gz IMTFZMMSWYIQRK-INIZCTEOSA-N 1 1 342.443 0.815 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(N(C)C)cn1)CO2 ZINC001053801447 766885650 /nfs/dbraw/zinc/88/56/50/766885650.db2.gz NEAWQAKYUVBPML-ZDUSSCGKSA-N 1 1 331.420 0.692 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3conc3COC)CC2)C1 ZINC001046074519 766891272 /nfs/dbraw/zinc/89/12/72/766891272.db2.gz ATRVAAPHABIWGY-CQSZACIVSA-N 1 1 332.404 0.286 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)COC)CC1 ZINC001060754423 766892276 /nfs/dbraw/zinc/89/22/76/766892276.db2.gz QRPXEXXFSAXEMW-JYJNAYRXSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)COC)CC1 ZINC001060754423 766892285 /nfs/dbraw/zinc/89/22/85/766892285.db2.gz QRPXEXXFSAXEMW-JYJNAYRXSA-N 1 1 335.448 0.522 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](C[C@@H](C)O)C3)CC2)cn1 ZINC001046076119 766901796 /nfs/dbraw/zinc/90/17/96/766901796.db2.gz JEMWSCSPJBUDFQ-CRAIPNDOSA-N 1 1 342.443 0.276 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc(OC)n3)CC2)C1 ZINC001046076024 766901817 /nfs/dbraw/zinc/90/18/17/766901817.db2.gz AMRKXDOKKQPOIA-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)C1 ZINC001046077243 766906073 /nfs/dbraw/zinc/90/60/73/766906073.db2.gz SXOBSNIPOGABMA-INIZCTEOSA-N 1 1 343.475 0.929 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC001046078280 766910927 /nfs/dbraw/zinc/91/09/27/766910927.db2.gz WHLVHCBIKOJSRT-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3[nH]cnc3CC)CC2)C1 ZINC001046080456 766916299 /nfs/dbraw/zinc/91/62/99/766916299.db2.gz HNBWLBPUBOIUFI-OAHLLOKOSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C1 ZINC001046081917 766920811 /nfs/dbraw/zinc/92/08/11/766920811.db2.gz LWCKWCCSUMQYHH-HNNXBMFYSA-N 1 1 338.415 0.423 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC001046082099 766921069 /nfs/dbraw/zinc/92/10/69/766921069.db2.gz NFTBVARCSKIRGC-MRXNPFEDSA-N 1 1 330.432 0.253 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncnc3CC)CC2)C1 ZINC001046084562 766925016 /nfs/dbraw/zinc/92/50/16/766925016.db2.gz SVVOHQNTNOHWIU-MRXNPFEDSA-N 1 1 341.459 0.894 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)C1 ZINC001046084563 766925080 /nfs/dbraw/zinc/92/50/80/766925080.db2.gz DGCNKBWIGDTOMC-MSOLQXFVSA-N 1 1 343.475 0.913 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC001046085057 766925777 /nfs/dbraw/zinc/92/57/77/766925777.db2.gz DLXARPZWAZNLPQ-DOTOQJQBSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4nncn4C3)CC2)C1 ZINC001046084770 766926068 /nfs/dbraw/zinc/92/60/68/766926068.db2.gz BUUMDJMNEBNEGK-JKSUJKDBSA-N 1 1 344.463 0.245 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC001046085552 766926914 /nfs/dbraw/zinc/92/69/14/766926914.db2.gz BELNCHPIZQYKKQ-FUHWJXTLSA-N 1 1 343.475 0.765 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3noc4c3COCC4)CC2)C1 ZINC001046085914 766928269 /nfs/dbraw/zinc/92/82/69/766928269.db2.gz JWUCVJQJGIMOFS-CQSZACIVSA-N 1 1 344.415 0.213 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC001046086675 766929672 /nfs/dbraw/zinc/92/96/72/766929672.db2.gz JXKUQPKFCXMVEA-IAGOWNOFSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CN(C)c3ccccc3)CC2)C1 ZINC001046086800 766929895 /nfs/dbraw/zinc/92/98/95/766929895.db2.gz ZJWRFRLQTXJFMQ-IBGZPJMESA-N 1 1 340.471 0.975 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3csc(COC)n3)CC2)C1 ZINC001046087812 766930304 /nfs/dbraw/zinc/93/03/04/766930304.db2.gz XPJAMKNBCBOWCD-CQSZACIVSA-N 1 1 348.472 0.755 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)CO2 ZINC001053827184 766954875 /nfs/dbraw/zinc/95/48/75/766954875.db2.gz SXVDJQANRCLIPL-CABCVRRESA-N 1 1 328.416 0.743 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)CO2 ZINC001053828694 766959837 /nfs/dbraw/zinc/95/98/37/766959837.db2.gz XTIKEUCXZSDVGD-IRXDYDNUSA-N 1 1 333.476 0.947 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3n(n1)CCO3)CO2 ZINC001053830824 766964963 /nfs/dbraw/zinc/96/49/63/766964963.db2.gz MXQOCYOVHYUNKM-CYBMUJFWSA-N 1 1 332.404 0.815 20 30 ECEDMO Cn1cnc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cc1=O ZINC001031741886 766993587 /nfs/dbraw/zinc/99/35/87/766993587.db2.gz ZUYLTXDMSWDVJA-UHFFFAOYSA-N 1 1 343.412 0.575 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC3N=NC(=O)N3C1)CO2 ZINC001053851091 767018593 /nfs/dbraw/zinc/01/85/93/767018593.db2.gz KBZWMEKVERPWBS-QWHCGFSZSA-N 1 1 347.419 0.082 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)cc1=O ZINC001046224652 767093073 /nfs/dbraw/zinc/09/30/73/767093073.db2.gz UBLCQJNDCRDXSX-GOSISDBHSA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001089704631 767101998 /nfs/dbraw/zinc/10/19/98/767101998.db2.gz WZJCNBOOBGQMIC-ZDUSSCGKSA-N 1 1 348.447 0.490 20 30 ECEDMO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001046239539 767103632 /nfs/dbraw/zinc/10/36/32/767103632.db2.gz LPATWNSUNPCVFN-KRWDZBQOSA-N 1 1 329.404 0.703 20 30 ECEDMO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001046239539 767103639 /nfs/dbraw/zinc/10/36/39/767103639.db2.gz LPATWNSUNPCVFN-KRWDZBQOSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](OC)C1 ZINC001212279179 767105170 /nfs/dbraw/zinc/10/51/70/767105170.db2.gz GICYRJWATXABHD-HUUCEWRRSA-N 1 1 333.436 0.938 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046247781 767106943 /nfs/dbraw/zinc/10/69/43/767106943.db2.gz JCZLSCVRKPAONE-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046247781 767106945 /nfs/dbraw/zinc/10/69/45/767106945.db2.gz JCZLSCVRKPAONE-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001042016953 782604704 /nfs/dbraw/zinc/60/47/04/782604704.db2.gz XJTWUSAEMPHRJH-LRDDRELGSA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001042016953 782604708 /nfs/dbraw/zinc/60/47/08/782604708.db2.gz XJTWUSAEMPHRJH-LRDDRELGSA-N 1 1 339.403 0.751 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000938825158 767123846 /nfs/dbraw/zinc/12/38/46/767123846.db2.gz PZKCMDKKUPPGEE-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC000938826675 767125194 /nfs/dbraw/zinc/12/51/94/767125194.db2.gz JLZADZSZKXVRRP-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046289250 767129794 /nfs/dbraw/zinc/12/97/94/767129794.db2.gz SYQZWYCCJLUFPL-DOMZBBRYSA-N 1 1 334.401 0.809 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046289250 767129795 /nfs/dbraw/zinc/12/97/95/767129795.db2.gz SYQZWYCCJLUFPL-DOMZBBRYSA-N 1 1 334.401 0.809 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001089729658 767133566 /nfs/dbraw/zinc/13/35/66/767133566.db2.gz RMUFGDFBFRCLCE-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001046311997 767141055 /nfs/dbraw/zinc/14/10/55/767141055.db2.gz ODLHXKARKNIWJA-KGLIPLIRSA-N 1 1 335.448 0.230 20 30 ECEDMO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@H]1CCCC(=O)N1 ZINC001031755014 767155322 /nfs/dbraw/zinc/15/53/22/767155322.db2.gz XTEUZRNENYIXBR-QGZVFWFLSA-N 1 1 325.412 0.755 20 30 ECEDMO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001089775362 767159448 /nfs/dbraw/zinc/15/94/48/767159448.db2.gz KBPYUSKGNWZXCO-UMVBOHGHSA-N 1 1 346.435 0.398 20 30 ECEDMO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001089775362 767159450 /nfs/dbraw/zinc/15/94/50/767159450.db2.gz KBPYUSKGNWZXCO-UMVBOHGHSA-N 1 1 346.435 0.398 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001212311241 767198997 /nfs/dbraw/zinc/19/89/97/767198997.db2.gz JZEAXFCVMVVYNW-HUUCEWRRSA-N 1 1 333.388 0.157 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@H](OC)C1 ZINC001212309597 767200447 /nfs/dbraw/zinc/20/04/47/767200447.db2.gz XXNHHWWZAJLCDI-HUUCEWRRSA-N 1 1 345.403 0.590 20 30 ECEDMO Cn1cnnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C#CC2CC2)C1 ZINC001089807497 767235280 /nfs/dbraw/zinc/23/52/80/767235280.db2.gz ZTTGRQWHGBKMCH-QAETUUGQSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1cnnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C#CC2CC2)C1 ZINC001089807497 767235289 /nfs/dbraw/zinc/23/52/89/767235289.db2.gz ZTTGRQWHGBKMCH-QAETUUGQSA-N 1 1 339.443 0.897 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001046467435 767243786 /nfs/dbraw/zinc/24/37/86/767243786.db2.gz GWBGLERWQODSCO-SFHVURJKSA-N 1 1 329.400 0.768 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cccn3)n2)[C@@H](O)C1 ZINC001083767502 767252833 /nfs/dbraw/zinc/25/28/33/767252833.db2.gz HGJUGLIEAIEVFV-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046535300 767286096 /nfs/dbraw/zinc/28/60/96/767286096.db2.gz GHIAGDQPFVGTCY-UONOGXRCSA-N 1 1 325.453 0.476 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046536994 767287741 /nfs/dbraw/zinc/28/77/41/767287741.db2.gz ARZVXOHYORUGJT-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046536994 767287743 /nfs/dbraw/zinc/28/77/43/767287743.db2.gz ARZVXOHYORUGJT-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ncnn2)C1 ZINC001089818221 767292832 /nfs/dbraw/zinc/29/28/32/767292832.db2.gz WWLYATDHQUIOFW-XUXIUFHCSA-N 1 1 336.827 0.594 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046575250 767319425 /nfs/dbraw/zinc/31/94/25/767319425.db2.gz BZHGKUIENQEGLO-MQYQWHSLSA-N 1 1 328.420 0.275 20 30 ECEDMO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001016924906 767320478 /nfs/dbraw/zinc/32/04/78/767320478.db2.gz DYLUDSRRNMKCKE-CZUORRHYSA-N 1 1 327.432 0.904 20 30 ECEDMO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001016924906 767320485 /nfs/dbraw/zinc/32/04/85/767320485.db2.gz DYLUDSRRNMKCKE-CZUORRHYSA-N 1 1 327.432 0.904 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046588843 767340135 /nfs/dbraw/zinc/34/01/35/767340135.db2.gz RUPVLGSBSGRUAW-WMLDXEAASA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046588843 767340144 /nfs/dbraw/zinc/34/01/44/767340144.db2.gz RUPVLGSBSGRUAW-WMLDXEAASA-N 1 1 345.378 0.459 20 30 ECEDMO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)CO2 ZINC001053925989 767379612 /nfs/dbraw/zinc/37/96/12/767379612.db2.gz TWLVMXASJDXQHX-RDTXWAMCSA-N 1 1 337.439 0.792 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046628896 767396872 /nfs/dbraw/zinc/39/68/72/767396872.db2.gz TZDXYUXJKJQZEB-DVOMOZLQSA-N 1 1 332.429 0.822 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046628896 767396883 /nfs/dbraw/zinc/39/68/83/767396883.db2.gz TZDXYUXJKJQZEB-DVOMOZLQSA-N 1 1 332.429 0.822 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC(C)CC1)CO2 ZINC001053949066 767430861 /nfs/dbraw/zinc/43/08/61/767430861.db2.gz XCOLUILSBASGTJ-OAHLLOKOSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc3ncccn3n1)CO2 ZINC001053959741 767456676 /nfs/dbraw/zinc/45/66/76/767456676.db2.gz HDRVAGBEUZCQOM-CYBMUJFWSA-N 1 1 342.403 0.664 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001046676320 767459633 /nfs/dbraw/zinc/45/96/33/767459633.db2.gz FIXKYGRXTCNVAU-OAHLLOKOSA-N 1 1 349.475 0.786 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001106165071 767461537 /nfs/dbraw/zinc/46/15/37/767461537.db2.gz CVQZYKRZHVGKRP-LSDHHAIUSA-N 1 1 331.420 0.635 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001106165396 767465919 /nfs/dbraw/zinc/46/59/19/767465919.db2.gz LTSALKUCCQJRQI-UONOGXRCSA-N 1 1 346.435 0.284 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001046680485 767468574 /nfs/dbraw/zinc/46/85/74/767468574.db2.gz DNKRKGVRMCVJMQ-QGZVFWFLSA-N 1 1 343.435 0.900 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001046680485 767468577 /nfs/dbraw/zinc/46/85/77/767468577.db2.gz DNKRKGVRMCVJMQ-QGZVFWFLSA-N 1 1 343.435 0.900 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3cc[nH]n3)C2)C1=O ZINC001017051658 767519029 /nfs/dbraw/zinc/51/90/29/767519029.db2.gz GUHZEGAJGRELOG-GDBMZVCRSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001017051658 767519035 /nfs/dbraw/zinc/51/90/35/767519035.db2.gz GUHZEGAJGRELOG-GDBMZVCRSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001017051658 767519038 /nfs/dbraw/zinc/51/90/38/767519038.db2.gz GUHZEGAJGRELOG-GDBMZVCRSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3n[nH]nc3C1)CO2 ZINC001053982442 767526852 /nfs/dbraw/zinc/52/68/52/767526852.db2.gz JPEFIOMQVNMIHH-CHWSQXEVSA-N 1 1 331.420 0.445 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)cn1 ZINC001053984575 767532249 /nfs/dbraw/zinc/53/22/49/767532249.db2.gz AFXFHXHFJUJKKI-YOEHRIQHSA-N 1 1 341.411 0.673 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc3nccc(C)n3n1)CO2 ZINC001053997168 767556837 /nfs/dbraw/zinc/55/68/37/767556837.db2.gz WBZGQEXEKCJJLE-CYBMUJFWSA-N 1 1 342.403 0.582 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001046735601 767560428 /nfs/dbraw/zinc/56/04/28/767560428.db2.gz QTILAXBZJYFABC-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001046735601 767560432 /nfs/dbraw/zinc/56/04/32/767560432.db2.gz QTILAXBZJYFABC-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CCCCCC1=O)CO2 ZINC001054002126 767567259 /nfs/dbraw/zinc/56/72/59/767567259.db2.gz RAZCPLKUBZIYOP-OAHLLOKOSA-N 1 1 335.448 0.925 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1c(C)csc1=O)CO2 ZINC001054004869 767572037 /nfs/dbraw/zinc/57/20/37/767572037.db2.gz YTAXFVVZDQLMFC-ZDUSSCGKSA-N 1 1 337.445 0.754 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@H]1CCNC1=O ZINC001017091512 767575069 /nfs/dbraw/zinc/57/50/69/767575069.db2.gz DTADQKHDLAHQKT-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1noc3c1COCC3)CO2 ZINC001054015179 767603133 /nfs/dbraw/zinc/60/31/33/767603133.db2.gz ZSRUEPBXSNUQMF-GFCCVEGCSA-N 1 1 333.388 0.897 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C(N)=O)n1)CO2 ZINC001054020584 767614148 /nfs/dbraw/zinc/61/41/48/767614148.db2.gz PJEQIIABZNRIMH-CYBMUJFWSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054049162 767649074 /nfs/dbraw/zinc/64/90/74/767649074.db2.gz RPMHMSOYQSHIFH-IRXDYDNUSA-N 1 1 340.427 0.576 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1=O ZINC001017157336 767662498 /nfs/dbraw/zinc/66/24/98/767662498.db2.gz HNNAKMZUBNFMMH-HIFRSBDPSA-N 1 1 346.435 0.376 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001017179675 767688092 /nfs/dbraw/zinc/68/80/92/767688092.db2.gz MGFVKBMNSQNVSW-ZDUSSCGKSA-N 1 1 335.452 0.991 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001054102547 767690889 /nfs/dbraw/zinc/69/08/89/767690889.db2.gz OHMYCEFLALYYJO-WBMJQRKESA-N 1 1 332.408 0.083 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001054102547 767690892 /nfs/dbraw/zinc/69/08/92/767690892.db2.gz OHMYCEFLALYYJO-WBMJQRKESA-N 1 1 332.408 0.083 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001054134071 767729908 /nfs/dbraw/zinc/72/99/08/767729908.db2.gz SJTWGZKGYUZHCG-RVKKMQEKSA-N 1 1 335.448 0.767 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(=O)n(C)cn1)C2 ZINC001054147852 767744390 /nfs/dbraw/zinc/74/43/90/767744390.db2.gz ZWEAGULSOJHAMX-GOSISDBHSA-N 1 1 328.416 0.732 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCCNC1=O)C2 ZINC001054157303 767753364 /nfs/dbraw/zinc/75/33/64/767753364.db2.gz LIWCKMZAPZFYPD-GOSISDBHSA-N 1 1 332.448 0.740 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C(N)=O)C3)ccc1F ZINC001054188266 767788518 /nfs/dbraw/zinc/78/85/18/767788518.db2.gz KUOIPHBEQXCTAY-SFHVURJKSA-N 1 1 344.390 0.997 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001054237302 767846895 /nfs/dbraw/zinc/84/68/95/767846895.db2.gz WUBIJUKJDQLMSC-SFHVURJKSA-N 1 1 346.431 0.218 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(C)CCOCCNc1cc(C)ncc1C#N ZINC001127347770 768380015 /nfs/dbraw/zinc/38/00/15/768380015.db2.gz RSLNIEZACAQVRH-UHFFFAOYSA-N 1 1 347.463 0.912 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2nccnc2C#N)C1 ZINC001106540136 768420202 /nfs/dbraw/zinc/42/02/02/768420202.db2.gz WZXVIZFNJRYCQL-ZFWWWQNUSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2nccnc2C#N)C1 ZINC001106540136 768420206 /nfs/dbraw/zinc/42/02/06/768420206.db2.gz WZXVIZFNJRYCQL-ZFWWWQNUSA-N 1 1 346.435 0.764 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)Nc1ccnc(C#N)n1 ZINC001089335714 768432369 /nfs/dbraw/zinc/43/23/69/768432369.db2.gz ZCHPAQBYJDGZKO-NEPJUHHUSA-N 1 1 327.392 0.671 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001099234011 768443537 /nfs/dbraw/zinc/44/35/37/768443537.db2.gz FWKOETROAQUOPY-ZNMIVQPWSA-N 1 1 335.448 0.364 20 30 ECEDMO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001106623464 768523665 /nfs/dbraw/zinc/52/36/65/768523665.db2.gz CQMOXDRHUULHBA-ZIAGYGMSSA-N 1 1 330.436 0.951 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001017949768 768538634 /nfs/dbraw/zinc/53/86/34/768538634.db2.gz PFZZAVLVQGAIBV-OKILXGFUSA-N 1 1 330.432 0.998 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001017949768 768538638 /nfs/dbraw/zinc/53/86/38/768538638.db2.gz PFZZAVLVQGAIBV-OKILXGFUSA-N 1 1 330.432 0.998 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001018028109 768632433 /nfs/dbraw/zinc/63/24/33/768632433.db2.gz NJYKIPKNZCERQY-OKILXGFUSA-N 1 1 346.431 0.339 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001099246380 768700272 /nfs/dbraw/zinc/70/02/72/768700272.db2.gz TYEVFLSAQJDYDG-STQMWFEESA-N 1 1 329.466 0.164 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268890 768725127 /nfs/dbraw/zinc/72/51/27/768725127.db2.gz VUVGOCGAGGIULP-OWCLPIDISA-N 1 1 349.475 0.836 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268890 768725131 /nfs/dbraw/zinc/72/51/31/768725131.db2.gz VUVGOCGAGGIULP-OWCLPIDISA-N 1 1 349.475 0.836 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055324716 768783000 /nfs/dbraw/zinc/78/30/00/768783000.db2.gz DMAZBBWUDYKDLM-ZACQAIPSSA-N 1 1 331.460 0.904 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055338380 768794998 /nfs/dbraw/zinc/79/49/98/768794998.db2.gz RYMAFTRAWXGBSB-LUKYLMHMSA-N 1 1 347.459 0.283 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001018168689 768841197 /nfs/dbraw/zinc/84/11/97/768841197.db2.gz AQBASQPWVDYHQE-PHIMTYICSA-N 1 1 334.376 0.761 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001018168689 768841209 /nfs/dbraw/zinc/84/12/09/768841209.db2.gz AQBASQPWVDYHQE-PHIMTYICSA-N 1 1 334.376 0.761 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]21 ZINC001042063456 782702348 /nfs/dbraw/zinc/70/23/48/782702348.db2.gz XFRDYMSAEPIVIJ-KBPBESRZSA-N 1 1 333.432 0.880 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001018226825 768918733 /nfs/dbraw/zinc/91/87/33/768918733.db2.gz SYHPDZAAXFMOPR-IXDOHACOSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(C)(F)F)CC1 ZINC001055494573 768937719 /nfs/dbraw/zinc/93/77/19/768937719.db2.gz NZKVIVYTOIBELW-GFCCVEGCSA-N 1 1 347.406 0.930 20 30 ECEDMO C#CCOCCC(=O)NC1CC[NH+](CCNC(=O)c2ccco2)CC1 ZINC001055501704 768953775 /nfs/dbraw/zinc/95/37/75/768953775.db2.gz IFYXWAUPYFQRLB-UHFFFAOYSA-N 1 1 347.415 0.630 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC1CC[NH+](CCNC(=O)c2ccoc2)CC1 ZINC001055515805 768986221 /nfs/dbraw/zinc/98/62/21/768986221.db2.gz NFTVPBVEXRZKFO-SFHVURJKSA-N 1 1 349.431 0.917 20 30 ECEDMO Cc1ncsc1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055528660 769011756 /nfs/dbraw/zinc/01/17/56/769011756.db2.gz HFFNMHCUFDCNPX-NSHDSACASA-N 1 1 349.460 0.922 20 30 ECEDMO CC1(C)C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001089354539 769056094 /nfs/dbraw/zinc/05/60/94/769056094.db2.gz ISHOSQVZHAHUHI-UKRRQHHQSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2conc2C(C)C)C1 ZINC000993431764 769072222 /nfs/dbraw/zinc/07/22/22/769072222.db2.gz SJSZMJYULJLUTF-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2conc2C(C)C)C1 ZINC000993431764 769072231 /nfs/dbraw/zinc/07/22/31/769072231.db2.gz SJSZMJYULJLUTF-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2ccon2)CC1 ZINC001055572926 769151396 /nfs/dbraw/zinc/15/13/96/769151396.db2.gz LBRDZQLLDLHLSP-UHFFFAOYSA-N 1 1 332.404 0.644 20 30 ECEDMO CC(C)[N@H+](C)CC(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055573998 769157029 /nfs/dbraw/zinc/15/70/29/769157029.db2.gz MDGLGAJBBCFIRM-UHFFFAOYSA-N 1 1 348.491 0.437 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055573998 769157036 /nfs/dbraw/zinc/15/70/36/769157036.db2.gz MDGLGAJBBCFIRM-UHFFFAOYSA-N 1 1 348.491 0.437 20 30 ECEDMO CC[NH+](CC)CC(=O)NCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055580158 769177348 /nfs/dbraw/zinc/17/73/48/769177348.db2.gz XJPNVKJSXOQBMA-AWEZNQCLSA-N 1 1 337.468 0.185 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3ccc(OC)nn32)[C@H]1C ZINC000993522685 769221309 /nfs/dbraw/zinc/22/13/09/769221309.db2.gz QDTGLKIXBYVSIU-OLZOCXBDSA-N 1 1 327.388 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3ccc(OC)nn32)[C@H]1C ZINC000993522685 769221311 /nfs/dbraw/zinc/22/13/11/769221311.db2.gz QDTGLKIXBYVSIU-OLZOCXBDSA-N 1 1 327.388 0.954 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)C[C@@H]21 ZINC001042084399 782734087 /nfs/dbraw/zinc/73/40/87/782734087.db2.gz RCXVONNKVOYSAU-CABCVRRESA-N 1 1 341.477 0.521 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCCS3(=O)=O)C[C@H]21 ZINC001042084406 782734590 /nfs/dbraw/zinc/73/45/90/782734590.db2.gz RCXVONNKVOYSAU-LSDHHAIUSA-N 1 1 341.477 0.521 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055620298 769271475 /nfs/dbraw/zinc/27/14/75/769271475.db2.gz PCGJDTXTHUNOBF-ZDUSSCGKSA-N 1 1 348.451 0.717 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001055631788 769303866 /nfs/dbraw/zinc/30/38/66/769303866.db2.gz KQNXJSCYOOOCDU-CABCVRRESA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001055631788 769303877 /nfs/dbraw/zinc/30/38/77/769303877.db2.gz KQNXJSCYOOOCDU-CABCVRRESA-N 1 1 349.479 0.185 20 30 ECEDMO Cc1nocc1C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055631798 769305818 /nfs/dbraw/zinc/30/58/18/769305818.db2.gz KTGCSNMENAZMAB-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001055632453 769307347 /nfs/dbraw/zinc/30/73/47/769307347.db2.gz VKIZDRZYJQYIFA-ZBFHGGJFSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001055632453 769307352 /nfs/dbraw/zinc/30/73/52/769307352.db2.gz VKIZDRZYJQYIFA-ZBFHGGJFSA-N 1 1 349.479 0.327 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H]1C ZINC000993552583 769308916 /nfs/dbraw/zinc/30/89/16/769308916.db2.gz SQXJBURJIJIZGB-YPMHNXCESA-N 1 1 328.372 0.628 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H]1C ZINC000993552583 769308929 /nfs/dbraw/zinc/30/89/29/769308929.db2.gz SQXJBURJIJIZGB-YPMHNXCESA-N 1 1 328.372 0.628 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3sccn3c2=O)[C@H]1C ZINC000993554280 769309830 /nfs/dbraw/zinc/30/98/30/769309830.db2.gz CHEKSVQCTPPGEP-YPMHNXCESA-N 1 1 330.413 0.972 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C ZINC000993588837 769377839 /nfs/dbraw/zinc/37/78/39/769377839.db2.gz RFUVNZIVNMAZRA-KGLIPLIRSA-N 1 1 334.420 0.658 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]2CC[N@@H+](CC(=O)NC)[C@@H]2C1 ZINC001042093778 782751839 /nfs/dbraw/zinc/75/18/39/782751839.db2.gz BFXYLGPOHBZRLC-GOEBONIOSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]2CC[N@H+](CC(=O)NC)[C@@H]2C1 ZINC001042093778 782751843 /nfs/dbraw/zinc/75/18/43/782751843.db2.gz BFXYLGPOHBZRLC-GOEBONIOSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C ZINC000993677314 769468925 /nfs/dbraw/zinc/46/89/25/769468925.db2.gz SVWQKIIKRZTKTK-WCQYABFASA-N 1 1 342.407 0.300 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC001078358387 782767891 /nfs/dbraw/zinc/76/78/91/782767891.db2.gz OSRIYMZLIKPFCO-RYUDHWBXSA-N 1 1 339.827 0.940 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC001018633748 769685314 /nfs/dbraw/zinc/68/53/14/769685314.db2.gz ZYHRWRIPEMXALO-BDAKNGLRSA-N 1 1 331.302 0.086 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2noc3c2COCC3)C1 ZINC001078358699 782769998 /nfs/dbraw/zinc/76/99/98/782769998.db2.gz UMPPQYBRLWQZKY-QWHCGFSZSA-N 1 1 348.403 0.614 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000993862727 769712117 /nfs/dbraw/zinc/71/21/17/769712117.db2.gz CYLNLECSHXIOSL-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C1CC1 ZINC001018682980 769756799 /nfs/dbraw/zinc/75/67/99/769756799.db2.gz SWAKRKLHJURIOD-JQWIXIFHSA-N 1 1 340.391 0.773 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000993866179 769815103 /nfs/dbraw/zinc/81/51/03/769815103.db2.gz QWBXBMLPYLCWMW-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000993866177 769815520 /nfs/dbraw/zinc/81/55/20/769815520.db2.gz QWBXBMLPYLCWMW-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001055825335 769866095 /nfs/dbraw/zinc/86/60/95/769866095.db2.gz GFDVPVCKHKDKOA-KRWDZBQOSA-N 1 1 334.420 0.627 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000993918326 769880076 /nfs/dbraw/zinc/88/00/76/769880076.db2.gz KLXFCLIBRMMDBP-UMVBOHGHSA-N 1 1 343.431 0.662 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H]1C ZINC000993921262 769884793 /nfs/dbraw/zinc/88/47/93/769884793.db2.gz WFZDBSMTYUAWGQ-UONOGXRCSA-N 1 1 344.419 0.436 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127404105 769908767 /nfs/dbraw/zinc/90/87/67/769908767.db2.gz WDDJVPGVJFUYSJ-UHFFFAOYSA-N 1 1 348.451 0.965 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)[C@H]2C)nn1 ZINC000993980740 769956275 /nfs/dbraw/zinc/95/62/75/769956275.db2.gz BTNQRTPTYPERFA-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)[C@H]2C)nn1 ZINC000993980740 769956284 /nfs/dbraw/zinc/95/62/84/769956284.db2.gz BTNQRTPTYPERFA-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001042113313 782794443 /nfs/dbraw/zinc/79/44/43/782794443.db2.gz XWJMRXIAGOTXAJ-LSDHHAIUSA-N 1 1 328.416 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001018818725 770000471 /nfs/dbraw/zinc/00/04/71/770000471.db2.gz AXPSHMTVNONJGN-HNNXBMFYSA-N 1 1 341.415 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001018818725 770000480 /nfs/dbraw/zinc/00/04/80/770000480.db2.gz AXPSHMTVNONJGN-HNNXBMFYSA-N 1 1 341.415 0.182 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001042116182 782797874 /nfs/dbraw/zinc/79/78/74/782797874.db2.gz IMYLMMNCCZQZPX-RDJZCZTQSA-N 1 1 340.427 0.669 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001055906619 770168539 /nfs/dbraw/zinc/16/85/39/770168539.db2.gz NUMCZZIQCUPYIE-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 ZINC001042122136 782806809 /nfs/dbraw/zinc/80/68/09/782806809.db2.gz MMEQIIXKRNHJHM-CABCVRRESA-N 1 1 333.436 0.471 20 30 ECEDMO N#Cc1nccnc1N1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001055912893 770191303 /nfs/dbraw/zinc/19/13/03/770191303.db2.gz UKRPXLWRBQHRRB-GJZGRUSLSA-N 1 1 340.431 0.871 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H]1C ZINC000994164456 770233223 /nfs/dbraw/zinc/23/32/23/770233223.db2.gz GUOKMGKDIBJCBS-KBPBESRZSA-N 1 1 336.436 0.864 20 30 ECEDMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1 ZINC001078383608 782819476 /nfs/dbraw/zinc/81/94/76/782819476.db2.gz AOBAXBUKFVEEOJ-CQSZACIVSA-N 1 1 343.391 0.036 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@H]1C ZINC001106872444 770466405 /nfs/dbraw/zinc/46/64/05/770466405.db2.gz SYWVXAFYVITQMM-QLFBSQMISA-N 1 1 345.447 0.244 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@H]1C ZINC001106872444 770466410 /nfs/dbraw/zinc/46/64/10/770466410.db2.gz SYWVXAFYVITQMM-QLFBSQMISA-N 1 1 345.447 0.244 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2ncccn2)C1 ZINC001018986135 770485364 /nfs/dbraw/zinc/48/53/64/770485364.db2.gz RWIZVRAXZCPZCQ-PMPSAXMXSA-N 1 1 327.432 0.826 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2ncccn2)C1 ZINC001018986135 770485368 /nfs/dbraw/zinc/48/53/68/770485368.db2.gz RWIZVRAXZCPZCQ-PMPSAXMXSA-N 1 1 327.432 0.826 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)CCOCCNc1ccc(C#N)nn1 ZINC001127412052 770513482 /nfs/dbraw/zinc/51/34/82/770513482.db2.gz SOOUWOIDSAJXET-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)COc3c(C)occc3=O)C[C@@H]21 ZINC001042142374 782844087 /nfs/dbraw/zinc/84/40/87/782844087.db2.gz NWZRFKSUQVGCMZ-CABCVRRESA-N 1 1 330.384 0.883 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COc3c(C)occc3=O)C[C@@H]21 ZINC001042142374 782844095 /nfs/dbraw/zinc/84/40/95/782844095.db2.gz NWZRFKSUQVGCMZ-CABCVRRESA-N 1 1 330.384 0.883 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)CC[N@H+]1C ZINC001056054876 770691281 /nfs/dbraw/zinc/69/12/81/770691281.db2.gz ZFVUIDKBDJZQNF-LSDHHAIUSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(Cl)cn2)CC1 ZINC001056067390 770732685 /nfs/dbraw/zinc/73/26/85/770732685.db2.gz JTXYXBQLRJIINS-AWEZNQCLSA-N 1 1 333.823 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(Cl)cn2)CC1 ZINC001056067390 770732688 /nfs/dbraw/zinc/73/26/88/770732688.db2.gz JTXYXBQLRJIINS-AWEZNQCLSA-N 1 1 333.823 0.876 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001056123715 770878505 /nfs/dbraw/zinc/87/85/05/770878505.db2.gz PJWLZARORMEKFS-KRWDZBQOSA-N 1 1 325.453 0.764 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001056127706 770889962 /nfs/dbraw/zinc/88/99/62/770889962.db2.gz GVUBNWREPYDOHM-QFBILLFUSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001056127737 770890143 /nfs/dbraw/zinc/89/01/43/770890143.db2.gz HDZNYFOLZOYALU-VQIMIIECSA-N 1 1 349.475 0.601 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C ZINC000994486443 770891007 /nfs/dbraw/zinc/89/10/07/770891007.db2.gz LFMRJJPHNBCYLG-STQMWFEESA-N 1 1 334.424 0.312 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cnco1)C2 ZINC001019144642 770918881 /nfs/dbraw/zinc/91/88/81/770918881.db2.gz PALGYBLWTRHXOI-AWEZNQCLSA-N 1 1 342.399 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1cnco1)C2 ZINC001019144642 770918885 /nfs/dbraw/zinc/91/88/85/770918885.db2.gz PALGYBLWTRHXOI-AWEZNQCLSA-N 1 1 342.399 0.447 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001060699603 771015003 /nfs/dbraw/zinc/01/50/03/771015003.db2.gz AJXWPMWRYWAHSD-ULQDDVLXSA-N 1 1 349.475 0.768 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001060699603 771015008 /nfs/dbraw/zinc/01/50/08/771015008.db2.gz AJXWPMWRYWAHSD-ULQDDVLXSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccn3nnnc23)CC(C)(C)C1 ZINC001089397615 771046955 /nfs/dbraw/zinc/04/69/55/771046955.db2.gz PKLRNSFVWVKZTO-ZDUSSCGKSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)CC(C)(C)C1 ZINC001089408781 771089283 /nfs/dbraw/zinc/08/92/83/771089283.db2.gz HLUPIHMHFQDACO-CABCVRRESA-N 1 1 334.464 0.176 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)C[C@H]21 ZINC001042177217 782893731 /nfs/dbraw/zinc/89/37/31/782893731.db2.gz VAYXMDXBBVEMOH-CHWSQXEVSA-N 1 1 342.407 0.416 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001056306556 771099469 /nfs/dbraw/zinc/09/94/69/771099469.db2.gz MACHNQGCMOXHCQ-QSJFSLAZSA-N 1 1 340.431 0.772 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@H]21 ZINC001042179511 782899765 /nfs/dbraw/zinc/89/97/65/782899765.db2.gz NHLXHMIXVWUCSO-JKSUJKDBSA-N 1 1 342.443 0.957 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnnn3C)C2)c1 ZINC001019356761 771197050 /nfs/dbraw/zinc/19/70/50/771197050.db2.gz DWEAWOWAGJSEII-RISCZKNCSA-N 1 1 325.376 0.152 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)C[N@H+](C)CCC ZINC001056402244 771227700 /nfs/dbraw/zinc/22/77/00/771227700.db2.gz OAHNJOBDVYOEBR-IKGGRYGDSA-N 1 1 349.475 0.958 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccc(=O)[nH]n3)C2)s1 ZINC001031532564 771238590 /nfs/dbraw/zinc/23/85/90/771238590.db2.gz YOQRZZQBQWTULF-UHFFFAOYSA-N 1 1 329.385 0.977 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1=O ZINC001019419873 771270407 /nfs/dbraw/zinc/27/04/07/771270407.db2.gz WOXWWSDAFGKCJY-UONOGXRCSA-N 1 1 343.431 0.878 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)CC[N@H+]1C ZINC001056444158 771275830 /nfs/dbraw/zinc/27/58/30/771275830.db2.gz BOJJGEKLBYVQQA-QVDCYYDOSA-N 1 1 325.416 0.844 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001060732957 771364238 /nfs/dbraw/zinc/36/42/38/771364238.db2.gz ZLTPCLBHLMMKLV-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)CCOCCNc2nccnc2C#N)CC[N@H+]1C ZINC001127505232 771378416 /nfs/dbraw/zinc/37/84/16/771378416.db2.gz NMEWZRQXXBYVHC-ZIAGYGMSSA-N 1 1 346.435 0.575 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC(C)(C)C1 ZINC001089514681 771382222 /nfs/dbraw/zinc/38/22/22/771382222.db2.gz OJPISUIITNQPDI-ZIAGYGMSSA-N 1 1 341.477 0.260 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C#CC(C)C ZINC001212241476 771385524 /nfs/dbraw/zinc/38/55/24/771385524.db2.gz SHTPGJHVPHUEOY-GVDBMIGSSA-N 1 1 340.464 0.495 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCCO1 ZINC001089544444 771435720 /nfs/dbraw/zinc/43/57/20/771435720.db2.gz WMBUEAZTJIZQQU-HNNXBMFYSA-N 1 1 346.435 0.400 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC(C)(C)C1 ZINC001089551312 771463677 /nfs/dbraw/zinc/46/36/77/771463677.db2.gz GPZORTOELGYCGX-OAHLLOKOSA-N 1 1 347.463 0.520 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2C[NH+](Cc3cccc(C(N)=O)c3)C2)[nH]1 ZINC001031621400 771474233 /nfs/dbraw/zinc/47/42/33/771474233.db2.gz ZVEVLQLFYXZGAT-UHFFFAOYSA-N 1 1 337.383 0.847 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001056666537 771489652 /nfs/dbraw/zinc/48/96/52/771489652.db2.gz SEETYXHODLRJHB-YESZJQIVSA-N 1 1 349.475 0.814 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccnc4c3nnn4C)C[C@@H]21 ZINC001042201981 782931432 /nfs/dbraw/zinc/93/14/32/782931432.db2.gz SZGCOYFQVDCKCO-ZFWWWQNUSA-N 1 1 338.415 0.923 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)C2CCN(C(=O)[C@H](C)C#N)CC2)C1=O ZINC001089571945 771538491 /nfs/dbraw/zinc/53/84/91/771538491.db2.gz JVPMQUXMCZQPHS-GDBMZVCRSA-N 1 1 348.447 0.218 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001056720004 771553118 /nfs/dbraw/zinc/55/31/18/771553118.db2.gz RPARITWYCJRQGQ-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)C)CCCO1 ZINC001019611859 771593590 /nfs/dbraw/zinc/59/35/90/771593590.db2.gz RKYTVWUWAZYSFX-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)C)CCCO1 ZINC001019611859 771593593 /nfs/dbraw/zinc/59/35/93/771593593.db2.gz RKYTVWUWAZYSFX-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001019630982 771633393 /nfs/dbraw/zinc/63/33/93/771633393.db2.gz QXYGDTUMSYTXFO-LBPRGKRZSA-N 1 1 343.391 0.174 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)cc1C#N ZINC001042210629 782944429 /nfs/dbraw/zinc/94/44/29/782944429.db2.gz LLKWFUVVRKGGRM-UKRRQHHQSA-N 1 1 342.399 0.475 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056814524 771679334 /nfs/dbraw/zinc/67/93/34/771679334.db2.gz QLNIFPLIOGJEFC-ZIAGYGMSSA-N 1 1 328.420 0.657 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001019678743 771706397 /nfs/dbraw/zinc/70/63/97/771706397.db2.gz WOSFBKCRNCZABJ-GJZGRUSLSA-N 1 1 330.363 0.666 20 30 ECEDMO Cc1nsc(N(C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001056880168 771757503 /nfs/dbraw/zinc/75/75/03/771757503.db2.gz WOLPHWJKZPLFEM-GXTWGEPZSA-N 1 1 349.460 0.691 20 30 ECEDMO Cc1nsc(N(C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001056880168 771757506 /nfs/dbraw/zinc/75/75/06/771757506.db2.gz WOLPHWJKZPLFEM-GXTWGEPZSA-N 1 1 349.460 0.691 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001078440714 782957265 /nfs/dbraw/zinc/95/72/65/782957265.db2.gz FTOCYTQMKMQHHW-AWEZNQCLSA-N 1 1 348.451 0.927 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3ccnc(C#N)n3)C2)C1 ZINC001056930831 771822123 /nfs/dbraw/zinc/82/21/23/771822123.db2.gz WEKZEOSUCIICSO-KBPBESRZSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3ccnc(C#N)n3)C2)C1 ZINC001056930831 771822130 /nfs/dbraw/zinc/82/21/30/771822130.db2.gz WEKZEOSUCIICSO-KBPBESRZSA-N 1 1 344.419 0.106 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057028258 771963784 /nfs/dbraw/zinc/96/37/84/771963784.db2.gz ZFVKQIVEJJQEGN-ZFWWWQNUSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3ccc(C#N)nn3)C2)C1 ZINC001057029552 771966640 /nfs/dbraw/zinc/96/66/40/771966640.db2.gz PTYYBGXOQCZENA-HIFRSBDPSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1C ZINC001020033824 772094869 /nfs/dbraw/zinc/09/48/69/772094869.db2.gz HJUIKBMPFZDULD-YHUYYLMFSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1C ZINC001020033824 772094875 /nfs/dbraw/zinc/09/48/75/772094875.db2.gz HJUIKBMPFZDULD-YHUYYLMFSA-N 1 1 333.432 0.369 20 30 ECEDMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C1CC1 ZINC001020058335 772114885 /nfs/dbraw/zinc/11/48/85/772114885.db2.gz BZMKHEFQGKFYDB-DLOVCJGASA-N 1 1 340.391 0.819 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057142096 772155480 /nfs/dbraw/zinc/15/54/80/772155480.db2.gz NMDMFMSJSVOLAG-UHFFFAOYSA-N 1 1 325.376 0.592 20 30 ECEDMO N#Cc1nccnc1N1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001057162409 772196596 /nfs/dbraw/zinc/19/65/96/772196596.db2.gz HYRHBRVGBABANI-SFHVURJKSA-N 1 1 340.431 0.873 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001078459994 782986337 /nfs/dbraw/zinc/98/63/37/782986337.db2.gz HQDNKVBKDBVXJA-BBRMVZONSA-N 1 1 336.440 0.520 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001078459995 782986532 /nfs/dbraw/zinc/98/65/32/782986532.db2.gz HQDNKVBKDBVXJA-CJNGLKHVSA-N 1 1 336.440 0.520 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001020160208 772229261 /nfs/dbraw/zinc/22/92/61/772229261.db2.gz LZGIDHDXVIYFEZ-UBHSHLNASA-N 1 1 329.404 0.557 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@@H](C[NH2+][C@H](C)c3nnnn3C)C2)C1 ZINC001078465238 782996555 /nfs/dbraw/zinc/99/65/55/782996555.db2.gz SQPPMBJFAHVIES-KGLIPLIRSA-N 1 1 348.451 0.835 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001020194038 772265204 /nfs/dbraw/zinc/26/52/04/772265204.db2.gz WTBSMZZEGGLFHV-SCRDCRAPSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCC1(C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001057212573 772287513 /nfs/dbraw/zinc/28/75/13/772287513.db2.gz QGXVVYRUJUDPLJ-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC)[C@@H]3C2)nn1 ZINC001042267876 783011160 /nfs/dbraw/zinc/01/11/60/783011160.db2.gz XMMCMRZLMOLVSZ-UKRRQHHQSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC)[C@@H]3C2)nn1 ZINC001042267876 783011166 /nfs/dbraw/zinc/01/11/66/783011166.db2.gz XMMCMRZLMOLVSZ-UKRRQHHQSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001078473578 783020730 /nfs/dbraw/zinc/02/07/30/783020730.db2.gz DRYQHLNYJNBRPF-KFWWJZLASA-N 1 1 336.392 0.368 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)CC[N@H+](C)CCC ZINC001057388359 772555904 /nfs/dbraw/zinc/55/59/04/772555904.db2.gz NWFGLVAQAQSKKR-UHFFFAOYSA-N 1 1 339.480 0.849 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001057390712 772559394 /nfs/dbraw/zinc/55/93/94/772559394.db2.gz MFOLIBIIILJBMY-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057425816 772600848 /nfs/dbraw/zinc/60/08/48/772600848.db2.gz SREQJPGPHPBCLW-ZDUSSCGKSA-N 1 1 328.420 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2cncc(C#N)n2)CC1 ZINC001057448827 772628119 /nfs/dbraw/zinc/62/81/19/772628119.db2.gz CRWLGLDUYKASER-INIZCTEOSA-N 1 1 338.415 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2cncc(C#N)n2)CC1 ZINC001057448827 772628122 /nfs/dbraw/zinc/62/81/22/772628122.db2.gz CRWLGLDUYKASER-INIZCTEOSA-N 1 1 338.415 0.849 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057602875 772801453 /nfs/dbraw/zinc/80/14/53/772801453.db2.gz XTBVDNACCMROBM-TZMCWYRMSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057602875 772801457 /nfs/dbraw/zinc/80/14/57/772801457.db2.gz XTBVDNACCMROBM-TZMCWYRMSA-N 1 1 330.392 0.082 20 30 ECEDMO C#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001057636277 772843843 /nfs/dbraw/zinc/84/38/43/772843843.db2.gz PVSAFQFMPZQXOF-KRWDZBQOSA-N 1 1 343.427 0.170 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001057692985 772917474 /nfs/dbraw/zinc/91/74/74/772917474.db2.gz ZGSIYGJFSXYWTA-ZDUSSCGKSA-N 1 1 345.871 0.796 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739073 772955974 /nfs/dbraw/zinc/95/59/74/772955974.db2.gz KVIMVDDQGOZVHU-IIDMSEBBSA-N 1 1 339.480 0.866 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001057929032 773204460 /nfs/dbraw/zinc/20/44/60/773204460.db2.gz IJIHJJYRHKYIST-HNNXBMFYSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C(C)C ZINC001057962207 773294761 /nfs/dbraw/zinc/29/47/61/773294761.db2.gz MVENFMNZCSCRET-CVEARBPZSA-N 1 1 337.464 0.313 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C(C)C ZINC001057962207 773294766 /nfs/dbraw/zinc/29/47/66/773294766.db2.gz MVENFMNZCSCRET-CVEARBPZSA-N 1 1 337.464 0.313 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001058039346 773406750 /nfs/dbraw/zinc/40/67/50/773406750.db2.gz XTFSGAZPEZRVBF-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058113079 773559472 /nfs/dbraw/zinc/55/94/72/773559472.db2.gz VNPUMODFKKDULA-CQSZACIVSA-N 1 1 336.436 0.731 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058164396 773675203 /nfs/dbraw/zinc/67/52/03/773675203.db2.gz QRVMRADQEZIBQT-ZDUSSCGKSA-N 1 1 325.376 0.638 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058167848 773683765 /nfs/dbraw/zinc/68/37/65/773683765.db2.gz NCNFXQQIFNLTHW-NVXWUHKLSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058167848 773683770 /nfs/dbraw/zinc/68/37/70/773683770.db2.gz NCNFXQQIFNLTHW-NVXWUHKLSA-N 1 1 343.431 0.759 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058241684 773830098 /nfs/dbraw/zinc/83/00/98/773830098.db2.gz XCSXDDZTCANCLT-ZIAGYGMSSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001058258472 773860731 /nfs/dbraw/zinc/86/07/31/773860731.db2.gz XONBQWJHEDORPC-HZSPNIEDSA-N 1 1 328.420 0.773 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001058314573 773955659 /nfs/dbraw/zinc/95/56/59/773955659.db2.gz MCROQZPYERIVQS-GXTWGEPZSA-N 1 1 328.420 0.700 20 30 ECEDMO Cc1cc(N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058316730 773960502 /nfs/dbraw/zinc/96/05/02/773960502.db2.gz GMYVFZSQGJXXQA-GDBMZVCRSA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1cc(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058316730 773960509 /nfs/dbraw/zinc/96/05/09/773960509.db2.gz GMYVFZSQGJXXQA-GDBMZVCRSA-N 1 1 329.404 0.287 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 ZINC001058381776 774068961 /nfs/dbraw/zinc/06/89/61/774068961.db2.gz UFISGGVGDLDFQC-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001039823512 783156364 /nfs/dbraw/zinc/15/63/64/783156364.db2.gz RKKJRJZMSFPWMF-KSSFIOAISA-N 1 1 337.464 0.763 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001058442824 774190244 /nfs/dbraw/zinc/19/02/44/774190244.db2.gz SOSRSHCGJZKRGS-IBGZPJMESA-N 1 1 349.475 0.603 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058446856 774199503 /nfs/dbraw/zinc/19/95/03/774199503.db2.gz KREHNSUOBYGKPI-ZIAGYGMSSA-N 1 1 328.420 0.916 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001058463579 774232885 /nfs/dbraw/zinc/23/28/85/774232885.db2.gz CFVUWSWXGBEIQX-LSDHHAIUSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@H](C=C)CC ZINC001058472051 774250012 /nfs/dbraw/zinc/25/00/12/774250012.db2.gz HYRIHDIYEOEGJY-SJORKVTESA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@H](C=C)CC ZINC001058472051 774250017 /nfs/dbraw/zinc/25/00/17/774250017.db2.gz HYRIHDIYEOEGJY-SJORKVTESA-N 1 1 349.475 0.623 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058582910 774475172 /nfs/dbraw/zinc/47/51/72/774475172.db2.gz VFVUAXWANYRVLW-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058582680 774475630 /nfs/dbraw/zinc/47/56/30/774475630.db2.gz PISIKHURXRAOAX-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(OCC)ncn2)C1 ZINC001058589702 774491257 /nfs/dbraw/zinc/49/12/57/774491257.db2.gz KKXIZFJJSKTNLA-GJZGRUSLSA-N 1 1 343.431 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(OCC)ncn2)C1 ZINC001058589702 774491258 /nfs/dbraw/zinc/49/12/58/774491258.db2.gz KKXIZFJJSKTNLA-GJZGRUSLSA-N 1 1 343.431 0.668 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001058601659 774523538 /nfs/dbraw/zinc/52/35/38/774523538.db2.gz LLRFGIYIUUDWGN-OAHLLOKOSA-N 1 1 348.447 0.657 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058623124 774559810 /nfs/dbraw/zinc/55/98/10/774559810.db2.gz HOALTPFBOAWGEP-OAHLLOKOSA-N 1 1 325.453 0.622 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnn(C)n3)C[C@@H]2C)nc1 ZINC001044822925 774651521 /nfs/dbraw/zinc/65/15/21/774651521.db2.gz MUHLDRFMURYHNF-JSGCOSHPSA-N 1 1 339.403 0.369 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnn(C)n3)C[C@@H]2C)cn1 ZINC001044829843 774658091 /nfs/dbraw/zinc/65/80/91/774658091.db2.gz VILAZZPNUDFZSY-WFASDCNBSA-N 1 1 339.403 0.369 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C1CCOCC1 ZINC001044962342 774772214 /nfs/dbraw/zinc/77/22/14/774772214.db2.gz INYOODLIDZXAKI-JSGCOSHPSA-N 1 1 347.423 0.265 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001044980475 774795116 /nfs/dbraw/zinc/79/51/16/774795116.db2.gz NCFGXMGXOKTZJZ-QWHCGFSZSA-N 1 1 334.420 0.339 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ncnn1C ZINC001045043146 774889579 /nfs/dbraw/zinc/88/95/79/774889579.db2.gz DNEOWPGSMSAIBJ-ZNMIVQPWSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001045059838 774913118 /nfs/dbraw/zinc/91/31/18/774913118.db2.gz WPQPNRBTDRNSMS-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001045059929 774913407 /nfs/dbraw/zinc/91/34/07/774913407.db2.gz YQACWXBEIHGGBT-LSDHHAIUSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001070021279 790350995 /nfs/dbraw/zinc/35/09/95/790350995.db2.gz QNUPYSSPUODQBG-CVEARBPZSA-N 1 1 326.404 0.604 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001044011365 775507617 /nfs/dbraw/zinc/50/76/17/775507617.db2.gz OKOCIXKQHVZEGA-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001045559589 775800789 /nfs/dbraw/zinc/80/07/89/775800789.db2.gz MOWKRGPQEPQJHA-QWHCGFSZSA-N 1 1 347.419 0.246 20 30 ECEDMO C=CCCn1cc(C(=O)NC2(C)CC[NH+]([C@H](C)C(N)=O)CC2)nn1 ZINC001045580780 775829618 /nfs/dbraw/zinc/82/96/18/775829618.db2.gz QSACYUBJLBCCPL-GFCCVEGCSA-N 1 1 334.424 0.312 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)CCC)O2 ZINC001068496548 790407692 /nfs/dbraw/zinc/40/76/92/790407692.db2.gz GMZHTQSGNYQWDM-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)CCC)O2 ZINC001068496548 790407698 /nfs/dbraw/zinc/40/76/98/790407698.db2.gz GMZHTQSGNYQWDM-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001070041939 790427169 /nfs/dbraw/zinc/42/71/69/790427169.db2.gz SGGSJEFCHUTONO-OAHLLOKOSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3coc(C)n3)C2)C1=O ZINC001079617236 776532162 /nfs/dbraw/zinc/53/21/62/776532162.db2.gz RYCNOMPDPQYDHV-KYOSRNDESA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3coc(C)n3)C2)C1=O ZINC001079617236 776532166 /nfs/dbraw/zinc/53/21/66/776532166.db2.gz RYCNOMPDPQYDHV-KYOSRNDESA-N 1 1 332.404 0.820 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COC(C)(C)C)C1 ZINC001079638799 776583690 /nfs/dbraw/zinc/58/36/90/776583690.db2.gz HOLFRSJHCHKYMV-INIZCTEOSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COC(C)(C)C)C1 ZINC001079638799 776583693 /nfs/dbraw/zinc/58/36/93/776583693.db2.gz HOLFRSJHCHKYMV-INIZCTEOSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001079641511 776587010 /nfs/dbraw/zinc/58/70/10/776587010.db2.gz MXOAUNRTKRXWKG-YUELXQCFSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001079641511 776587017 /nfs/dbraw/zinc/58/70/17/776587017.db2.gz MXOAUNRTKRXWKG-YUELXQCFSA-N 1 1 343.431 0.622 20 30 ECEDMO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](C)C1 ZINC001044668855 776609882 /nfs/dbraw/zinc/60/98/82/776609882.db2.gz DSGWLDQLGHCIFI-LSDHHAIUSA-N 1 1 332.448 0.977 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001079720113 776761573 /nfs/dbraw/zinc/76/15/73/776761573.db2.gz VYZNCXAEBKNCHR-FPCVCCKLSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001079720113 776761578 /nfs/dbraw/zinc/76/15/78/776761578.db2.gz VYZNCXAEBKNCHR-FPCVCCKLSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C#CC(C)C)C1 ZINC001079732717 776771985 /nfs/dbraw/zinc/77/19/85/776771985.db2.gz LUMSQPQIEUHSKO-KRWDZBQOSA-N 1 1 329.444 0.803 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C#CC(C)C)C1 ZINC001079732717 776771991 /nfs/dbraw/zinc/77/19/91/776771991.db2.gz LUMSQPQIEUHSKO-KRWDZBQOSA-N 1 1 329.444 0.803 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001079778313 776857827 /nfs/dbraw/zinc/85/78/27/776857827.db2.gz WKXWZOFLNURSAH-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001079805012 776906095 /nfs/dbraw/zinc/90/60/95/776906095.db2.gz URJWTQKQUORRDM-UHFFFAOYSA-N 1 1 334.420 0.844 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2coc(COC)n2)[C@@H](n2ccnn2)C1 ZINC001070067016 790494657 /nfs/dbraw/zinc/49/46/57/790494657.db2.gz CCJZFTJWJBFMTC-OCCSQVGLSA-N 1 1 346.391 0.644 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001070068249 790497146 /nfs/dbraw/zinc/49/71/46/790497146.db2.gz OZLZZQMQKMCLOV-CABCVRRESA-N 1 1 340.387 0.360 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001070068249 790497155 /nfs/dbraw/zinc/49/71/55/790497155.db2.gz OZLZZQMQKMCLOV-CABCVRRESA-N 1 1 340.387 0.360 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@H]1C ZINC001079878195 777011529 /nfs/dbraw/zinc/01/15/29/777011529.db2.gz LUQCYOPOCSWIAD-OAGGEKHMSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@H]1C ZINC001079878195 777011531 /nfs/dbraw/zinc/01/15/31/777011531.db2.gz LUQCYOPOCSWIAD-OAGGEKHMSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001079899590 777044422 /nfs/dbraw/zinc/04/44/22/777044422.db2.gz GGGWLKYUWOLJDJ-DOTOQJQBSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001079917751 777076786 /nfs/dbraw/zinc/07/67/86/777076786.db2.gz OIRKCSBOOGZJGX-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001079928981 777098756 /nfs/dbraw/zinc/09/87/56/777098756.db2.gz ZVLGIWJMCHCXAX-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001079947973 777129709 /nfs/dbraw/zinc/12/97/09/777129709.db2.gz SLXQZQPXGBQALE-RBSFLKMASA-N 1 1 330.432 0.918 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070075305 790518869 /nfs/dbraw/zinc/51/88/69/790518869.db2.gz WRABMPFESZSXPL-MAZHCROVSA-N 1 1 341.419 0.334 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070075305 790518876 /nfs/dbraw/zinc/51/88/76/790518876.db2.gz WRABMPFESZSXPL-MAZHCROVSA-N 1 1 341.419 0.334 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070076072 790521645 /nfs/dbraw/zinc/52/16/45/790521645.db2.gz IEFWJFOXQQUODR-OIISXLGYSA-N 1 1 338.415 0.842 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001080050995 777305620 /nfs/dbraw/zinc/30/56/20/777305620.db2.gz MCCPUXCGNKHXMB-GDBMZVCRSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001080050922 777305958 /nfs/dbraw/zinc/30/59/58/777305958.db2.gz KAFFNTNHXUDKRR-WQVCFCJDSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001080050922 777305961 /nfs/dbraw/zinc/30/59/61/777305961.db2.gz KAFFNTNHXUDKRR-WQVCFCJDSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001080177602 777507976 /nfs/dbraw/zinc/50/79/76/777507976.db2.gz SNVIJPXZSPACBY-VQHPVUNQSA-N 1 1 337.464 0.489 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001080196209 777537663 /nfs/dbraw/zinc/53/76/63/777537663.db2.gz NCISNTGVAMTXOV-KBAYOESNSA-N 1 1 333.476 0.947 20 30 ECEDMO CC#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001080294425 777654756 /nfs/dbraw/zinc/65/47/56/777654756.db2.gz FPLJQSHXQDRSCE-MRXNPFEDSA-N 1 1 335.448 0.570 20 30 ECEDMO CC#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001080294425 777654765 /nfs/dbraw/zinc/65/47/65/777654765.db2.gz FPLJQSHXQDRSCE-MRXNPFEDSA-N 1 1 335.448 0.570 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001043115619 777755585 /nfs/dbraw/zinc/75/55/85/777755585.db2.gz JDLNIFXNQGWLLF-AWEZNQCLSA-N 1 1 335.448 0.374 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001043130308 777787514 /nfs/dbraw/zinc/78/75/14/777787514.db2.gz NCCSOJSKNOPCOJ-UHFFFAOYSA-N 1 1 346.431 0.627 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2C)C1 ZINC001080404437 777802976 /nfs/dbraw/zinc/80/29/76/777802976.db2.gz HZKZCIHRQNKJSV-HUUCEWRRSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2C)C1 ZINC001080404437 777802983 /nfs/dbraw/zinc/80/29/83/777802983.db2.gz HZKZCIHRQNKJSV-HUUCEWRRSA-N 1 1 335.448 0.638 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001080417841 777822557 /nfs/dbraw/zinc/82/25/57/777822557.db2.gz ADSOBIVLWRSMNQ-NSHDSACASA-N 1 1 333.392 0.569 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001043187420 777911721 /nfs/dbraw/zinc/91/17/21/777911721.db2.gz CZYIWMIKPBFEBG-UHFFFAOYSA-N 1 1 346.431 0.649 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ncccc3C#N)C2)C1 ZINC001043211592 777973592 /nfs/dbraw/zinc/97/35/92/777973592.db2.gz OGHKYVQNTIHBEN-FVQBIDKESA-N 1 1 343.431 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ncccc3C#N)C2)C1 ZINC001043211592 777973600 /nfs/dbraw/zinc/97/36/00/777973600.db2.gz OGHKYVQNTIHBEN-FVQBIDKESA-N 1 1 343.431 0.933 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001043235232 778024174 /nfs/dbraw/zinc/02/41/74/778024174.db2.gz JVZRDICTXZWJCV-JKSUJKDBSA-N 1 1 347.459 0.352 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1ccc(C#N)cn1 ZINC001043244479 778039060 /nfs/dbraw/zinc/03/90/60/778039060.db2.gz HQZBGXBPIYCIRU-GDBMZVCRSA-N 1 1 343.431 0.934 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001043271454 778077685 /nfs/dbraw/zinc/07/76/85/778077685.db2.gz IPXILMAWHJZCID-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001070105345 790621713 /nfs/dbraw/zinc/62/17/13/790621713.db2.gz RVUXAZCRGBVQDP-OAGGEKHMSA-N 1 1 346.435 0.207 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001070105345 790621718 /nfs/dbraw/zinc/62/17/18/790621718.db2.gz RVUXAZCRGBVQDP-OAGGEKHMSA-N 1 1 346.435 0.207 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC1(NC(=O)C#CC(C)C)CCOCC1 ZINC001070108409 790630248 /nfs/dbraw/zinc/63/02/48/790630248.db2.gz AWERVBBKOVDVPO-UHFFFAOYSA-N 1 1 346.431 0.633 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(C#N)n2)C1 ZINC001043589985 778553715 /nfs/dbraw/zinc/55/37/15/778553715.db2.gz JKGQDQDHARQUBP-BMFZPTHFSA-N 1 1 338.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(C#N)n2)C1 ZINC001043589985 778553718 /nfs/dbraw/zinc/55/37/18/778553718.db2.gz JKGQDQDHARQUBP-BMFZPTHFSA-N 1 1 338.415 0.705 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070110746 790638242 /nfs/dbraw/zinc/63/82/42/790638242.db2.gz GINNJFBOPAWEBS-OAHLLOKOSA-N 1 1 333.432 0.276 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070112034 790642909 /nfs/dbraw/zinc/64/29/09/790642909.db2.gz KCZDWNNYAXIFRQ-OAHLLOKOSA-N 1 1 347.459 0.666 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001043678635 778707939 /nfs/dbraw/zinc/70/79/39/778707939.db2.gz IBSNVONKJYXLRB-GJZGRUSLSA-N 1 1 335.448 0.659 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)C1 ZINC001043727286 778781988 /nfs/dbraw/zinc/78/19/88/778781988.db2.gz MTTQACJVKZWLSY-OWCLPIDISA-N 1 1 341.415 0.321 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)C#N)O2 ZINC001068622733 790739175 /nfs/dbraw/zinc/73/91/75/790739175.db2.gz KFIVGKKWQVNQRH-KGLIPLIRSA-N 1 1 336.436 0.362 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@H]21 ZINC001042270171 779949367 /nfs/dbraw/zinc/94/93/67/779949367.db2.gz MRZWCWBDTPPHDI-UONOGXRCSA-N 1 1 332.404 0.036 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001042272142 779953691 /nfs/dbraw/zinc/95/36/91/779953691.db2.gz MAEKXSMACUNVKB-KBPBESRZSA-N 1 1 334.420 0.427 20 30 ECEDMO C[N@@H+](CC(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1)C1CCC1 ZINC001070148381 790755583 /nfs/dbraw/zinc/75/55/83/790755583.db2.gz BBGRCGDIMFAMLM-UHFFFAOYSA-N 1 1 347.459 0.666 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3nc4nccc(C)n4n3)C[C@H]21 ZINC001042334072 780089020 /nfs/dbraw/zinc/08/90/20/780089020.db2.gz DMHCOPNJWPTXAG-LSDHHAIUSA-N 1 1 338.415 0.992 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)C[C@H]21 ZINC001042348258 780114671 /nfs/dbraw/zinc/11/46/71/780114671.db2.gz HQJLMYXUTJBBLJ-RHSMWYFYSA-N 1 1 336.399 0.832 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@H]21 ZINC001042348821 780115655 /nfs/dbraw/zinc/11/56/55/780115655.db2.gz FYDMFTBICJZBIF-ZIAGYGMSSA-N 1 1 330.388 0.868 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]21 ZINC001042354432 780126995 /nfs/dbraw/zinc/12/69/95/780126995.db2.gz SFVPKZNPJSIYMM-GXTWGEPZSA-N 1 1 332.404 0.598 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3nc(C4CC4)nn3C)C[C@@H]21 ZINC001042362938 780147133 /nfs/dbraw/zinc/14/71/33/780147133.db2.gz NGXIVSYJFWTOBT-ZFWWWQNUSA-N 1 1 327.432 0.791 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2C)C1 ZINC001042503089 780360106 /nfs/dbraw/zinc/36/01/06/780360106.db2.gz ZTTNFLNTXVQNQN-UMVBOHGHSA-N 1 1 328.420 0.631 20 30 ECEDMO Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159952 790786892 /nfs/dbraw/zinc/78/68/92/790786892.db2.gz XFYJWNAXCOEJSY-VQISRLSMSA-N 1 1 343.391 0.584 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001042658700 780598875 /nfs/dbraw/zinc/59/88/75/780598875.db2.gz OKRQQSGKRMKCJV-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2CN(CC#N)C[C@H]2O)C1 ZINC001079146767 780814380 /nfs/dbraw/zinc/81/43/80/780814380.db2.gz GBVLZEYUYFQCGI-KZNAEPCWSA-N 1 1 342.443 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H](C)CC)C1 ZINC001042794390 780829069 /nfs/dbraw/zinc/82/90/69/780829069.db2.gz KNLDLPDVFGSKIO-GJZGRUSLSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H](C)CC)C1 ZINC001042794390 780829076 /nfs/dbraw/zinc/82/90/76/780829076.db2.gz KNLDLPDVFGSKIO-GJZGRUSLSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001042805633 780854585 /nfs/dbraw/zinc/85/45/85/780854585.db2.gz QYYAFPVLQRNTNC-MRXNPFEDSA-N 1 1 349.475 0.600 20 30 ECEDMO CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001042836813 780917594 /nfs/dbraw/zinc/91/75/94/780917594.db2.gz WZFRWTLRRXBOGD-IACUBPJLSA-N 1 1 349.460 0.595 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)c3[nH]nnc3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079254744 780928069 /nfs/dbraw/zinc/92/80/69/780928069.db2.gz SFFATNAXIQTTTO-UONOGXRCSA-N 1 1 329.404 0.299 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001042849979 780941748 /nfs/dbraw/zinc/94/17/48/780941748.db2.gz ZQRVMKFKSBBYSY-IAGOWNOFSA-N 1 1 348.491 0.790 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)CCCC)C1 ZINC001042866194 780962615 /nfs/dbraw/zinc/96/26/15/780962615.db2.gz ZIECOTDJHTZCNX-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)CCCC)C1 ZINC001042866194 780962616 /nfs/dbraw/zinc/96/26/16/780962616.db2.gz ZIECOTDJHTZCNX-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cn2cccn2)C1 ZINC001079304694 780979164 /nfs/dbraw/zinc/97/91/64/780979164.db2.gz SBIWCBNOZFAXLC-INIZCTEOSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cn2cccn2)C1 ZINC001079304694 780979168 /nfs/dbraw/zinc/97/91/68/780979168.db2.gz SBIWCBNOZFAXLC-INIZCTEOSA-N 1 1 343.431 0.040 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079343759 781008035 /nfs/dbraw/zinc/00/80/35/781008035.db2.gz VJKBFPYCZICOAX-UHFFFAOYSA-N 1 1 326.466 0.643 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001079345141 781010565 /nfs/dbraw/zinc/01/05/65/781010565.db2.gz ZRDDJCSPBDMUIR-OCCSQVGLSA-N 1 1 338.477 0.500 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 ZINC001042938119 781067741 /nfs/dbraw/zinc/06/77/41/781067741.db2.gz PJVTVPCEASGNPZ-UHFFFAOYSA-N 1 1 346.431 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2csnn2)C1 ZINC001042959791 781101081 /nfs/dbraw/zinc/10/10/81/781101081.db2.gz DLSVCLPXSBRZNY-WFASDCNBSA-N 1 1 333.461 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2csnn2)C1 ZINC001042959791 781101085 /nfs/dbraw/zinc/10/10/85/781101085.db2.gz DLSVCLPXSBRZNY-WFASDCNBSA-N 1 1 333.461 0.839 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2c(C)nnn2CC)C1 ZINC001042960117 781101725 /nfs/dbraw/zinc/10/17/25/781101725.db2.gz LKBMAHHWGLKPTM-INIZCTEOSA-N 1 1 344.463 0.347 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2c(C)nnn2CC)C1 ZINC001042960117 781101729 /nfs/dbraw/zinc/10/17/29/781101729.db2.gz LKBMAHHWGLKPTM-INIZCTEOSA-N 1 1 344.463 0.347 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CC(=O)N2CCCCC2)C1 ZINC001042960115 781101836 /nfs/dbraw/zinc/10/18/36/781101836.db2.gz LICHHKLMDJWEAV-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CC(=O)N2CCCCC2)C1 ZINC001042960115 781101840 /nfs/dbraw/zinc/10/18/40/781101840.db2.gz LICHHKLMDJWEAV-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nn(C)cc2Cl)C1 ZINC001042960568 781102549 /nfs/dbraw/zinc/10/25/49/781102549.db2.gz QOWZZOCZXBINCC-INIZCTEOSA-N 1 1 349.866 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nn(C)cc2Cl)C1 ZINC001042960568 781102553 /nfs/dbraw/zinc/10/25/53/781102553.db2.gz QOWZZOCZXBINCC-INIZCTEOSA-N 1 1 349.866 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H]2CCN(C(C)C)C2=O)C1 ZINC001042962711 781105779 /nfs/dbraw/zinc/10/57/79/781105779.db2.gz JOXGCGGFMXMDGO-IRXDYDNUSA-N 1 1 346.475 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H]2CCN(C(C)C)C2=O)C1 ZINC001042962711 781105781 /nfs/dbraw/zinc/10/57/81/781105781.db2.gz JOXGCGGFMXMDGO-IRXDYDNUSA-N 1 1 346.475 0.236 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2ncccn2)C1 ZINC001042963542 781106528 /nfs/dbraw/zinc/10/65/28/781106528.db2.gz RMZQYHZLJBIOOT-ZBFHGGJFSA-N 1 1 327.432 0.778 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2ncccn2)C1 ZINC001042963542 781106531 /nfs/dbraw/zinc/10/65/31/781106531.db2.gz RMZQYHZLJBIOOT-ZBFHGGJFSA-N 1 1 327.432 0.778 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cccn3C)C2)C1=O ZINC001079429417 781110429 /nfs/dbraw/zinc/11/04/29/781110429.db2.gz MBYXVMFJWNSWQT-IIAWOOMASA-N 1 1 330.432 0.862 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cccn3C)C2)C1=O ZINC001079429417 781110435 /nfs/dbraw/zinc/11/04/35/781110435.db2.gz MBYXVMFJWNSWQT-IIAWOOMASA-N 1 1 330.432 0.862 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001079435713 781115227 /nfs/dbraw/zinc/11/52/27/781115227.db2.gz NNKFJNSJYKQGDK-NXHRZFHOSA-N 1 1 328.412 0.890 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001079435713 781115231 /nfs/dbraw/zinc/11/52/31/781115231.db2.gz NNKFJNSJYKQGDK-NXHRZFHOSA-N 1 1 328.412 0.890 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001079440639 781121006 /nfs/dbraw/zinc/12/10/06/781121006.db2.gz OTYQYFBQCLWFLJ-DFBGVHRSSA-N 1 1 335.429 0.972 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001079440639 781121009 /nfs/dbraw/zinc/12/10/09/781121009.db2.gz OTYQYFBQCLWFLJ-DFBGVHRSSA-N 1 1 335.429 0.972 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001079441829 781122909 /nfs/dbraw/zinc/12/29/09/781122909.db2.gz LSXSNYGXJBAGOG-DAXOMENPSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001079441829 781122913 /nfs/dbraw/zinc/12/29/13/781122913.db2.gz LSXSNYGXJBAGOG-DAXOMENPSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001079460755 781143484 /nfs/dbraw/zinc/14/34/84/781143484.db2.gz BLXWCKTZIMACRV-DFBGVHRSSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001079460755 781143488 /nfs/dbraw/zinc/14/34/88/781143488.db2.gz BLXWCKTZIMACRV-DFBGVHRSSA-N 1 1 331.420 0.555 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526631 781223112 /nfs/dbraw/zinc/22/31/12/781223112.db2.gz POAOSUGTKJNNJE-ZTFGCOKTSA-N 1 1 342.443 0.825 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526631 781223118 /nfs/dbraw/zinc/22/31/18/781223118.db2.gz POAOSUGTKJNNJE-ZTFGCOKTSA-N 1 1 342.443 0.825 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043060963 781258320 /nfs/dbraw/zinc/25/83/20/781258320.db2.gz XSDLZAPLOGJOOJ-HOTGVXAUSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043060898 781258399 /nfs/dbraw/zinc/25/83/99/781258399.db2.gz XSDLZAPLOGJOOJ-CVEARBPZSA-N 1 1 349.475 0.907 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(Cc3ccccc3C#N)C2)O1 ZINC001043068425 781269501 /nfs/dbraw/zinc/26/95/01/781269501.db2.gz ZGTAWNKYWRSSQF-RDTXWAMCSA-N 1 1 342.443 0.920 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(Cc3ccccc3C#N)C2)O1 ZINC001043068425 781269504 /nfs/dbraw/zinc/26/95/04/781269504.db2.gz ZGTAWNKYWRSSQF-RDTXWAMCSA-N 1 1 342.443 0.920 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581095 781285770 /nfs/dbraw/zinc/28/57/70/781285770.db2.gz DINCWBZBYINWNX-XNRPHZJLSA-N 1 1 342.403 0.194 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079598613 781304377 /nfs/dbraw/zinc/30/43/77/781304377.db2.gz JDFPDRXLIGXDJN-BHIYHBOVSA-N 1 1 341.455 0.805 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079598613 781304385 /nfs/dbraw/zinc/30/43/85/781304385.db2.gz JDFPDRXLIGXDJN-BHIYHBOVSA-N 1 1 341.455 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001079601304 781306775 /nfs/dbraw/zinc/30/67/75/781306775.db2.gz RRVGBSVKUXEJBI-DAXOMENPSA-N 1 1 341.415 0.723 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001079601304 781306784 /nfs/dbraw/zinc/30/67/84/781306784.db2.gz RRVGBSVKUXEJBI-DAXOMENPSA-N 1 1 341.415 0.723 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3nc4ncc(C)cn4n3)C2)C1 ZINC001041391239 781416834 /nfs/dbraw/zinc/41/68/34/781416834.db2.gz BBKVNEREUDJOHD-SFHVURJKSA-N 1 1 338.415 0.994 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c1 ZINC001077647573 781420298 /nfs/dbraw/zinc/42/02/98/781420298.db2.gz AJZLOXRSIKWPLU-RTBURBONSA-N 1 1 346.390 0.910 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c1 ZINC001077647573 781420302 /nfs/dbraw/zinc/42/03/02/781420302.db2.gz AJZLOXRSIKWPLU-RTBURBONSA-N 1 1 346.390 0.910 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+](C)CCC ZINC001077666359 781462989 /nfs/dbraw/zinc/46/29/89/781462989.db2.gz MRFVGIVMZPSHRU-HOTGVXAUSA-N 1 1 336.480 0.437 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001041420483 781470333 /nfs/dbraw/zinc/47/03/33/781470333.db2.gz CYJWLOUOMGIOLR-QGZVFWFLSA-N 1 1 333.436 0.472 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001077671971 781471095 /nfs/dbraw/zinc/47/10/95/781471095.db2.gz MQYXBONPDAQAQS-HUUCEWRRSA-N 1 1 329.404 0.709 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041423639 781476610 /nfs/dbraw/zinc/47/66/10/781476610.db2.gz VIXIPHXQIHAQQV-DYVFJYSZSA-N 1 1 329.404 0.104 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041483921 781608899 /nfs/dbraw/zinc/60/88/99/781608899.db2.gz VHQXBDGGFADAAJ-VKJFTORMSA-N 1 1 335.448 0.910 20 30 ECEDMO C#CCCCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001077741160 781629668 /nfs/dbraw/zinc/62/96/68/781629668.db2.gz RWVBACXUGORIJM-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CCCCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001077741160 781629672 /nfs/dbraw/zinc/62/96/72/781629672.db2.gz RWVBACXUGORIJM-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001077809653 781736169 /nfs/dbraw/zinc/73/61/69/781736169.db2.gz NUAGHPIHOUYRKT-BSDSXHPESA-N 1 1 328.412 0.983 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(Cl)nn(C)c2Cl)C1 ZINC001077819912 781754921 /nfs/dbraw/zinc/75/49/21/781754921.db2.gz VABXUTWORJIKBX-RKDXNWHRSA-N 1 1 331.203 0.525 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(Cl)nn(C)c2Cl)C1 ZINC001077819912 781754925 /nfs/dbraw/zinc/75/49/25/781754925.db2.gz VABXUTWORJIKBX-RKDXNWHRSA-N 1 1 331.203 0.525 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(c3ccnc(C#N)n3)CCCO2)C1 ZINC001039914878 783273575 /nfs/dbraw/zinc/27/35/75/783273575.db2.gz CRJKTBFMMRRVQA-UONOGXRCSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001040734350 783348266 /nfs/dbraw/zinc/34/82/66/783348266.db2.gz VGBZXERUGYFFEL-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001040764387 783387108 /nfs/dbraw/zinc/38/71/08/783387108.db2.gz UEYTZXQVKJIVOX-DZGCQCFKSA-N 1 1 337.387 0.591 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@]3(CCN(C(=O)COC)C3)C2)C1=O ZINC001040029291 783414767 /nfs/dbraw/zinc/41/47/67/783414767.db2.gz JVYCMCFBVXOESI-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC1(C(=O)NC[C@]2(O)CCN(C(=O)C[N@H+](C)CCC)C2)CCC1 ZINC001040060809 783466635 /nfs/dbraw/zinc/46/66/35/783466635.db2.gz ZPGJDEPZDLILMO-LJQANCHMSA-N 1 1 349.475 0.601 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(N(C)c2ccnc(C#N)n2)CC1 ZINC001068707643 790945561 /nfs/dbraw/zinc/94/55/61/790945561.db2.gz YQNGHPLZTGVUHT-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO C=CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001040814009 783491738 /nfs/dbraw/zinc/49/17/38/783491738.db2.gz DRNHMXWDNMFOBW-BEFAXECRSA-N 1 1 349.475 0.764 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001070167715 783582643 /nfs/dbraw/zinc/58/26/43/783582643.db2.gz DAHHUJTXJPPZAI-UHFFFAOYSA-N 1 1 346.431 0.777 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 ZINC001070169169 783585627 /nfs/dbraw/zinc/58/56/27/783585627.db2.gz LUMBUOZGBUBJKX-GFCCVEGCSA-N 1 1 333.392 0.133 20 30 ECEDMO CC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001037818561 783607627 /nfs/dbraw/zinc/60/76/27/783607627.db2.gz HTLMHSUZTNXCRL-WCQYABFASA-N 1 1 342.407 0.440 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001070206763 783656458 /nfs/dbraw/zinc/65/64/58/783656458.db2.gz SBMDSMAMSCVBOU-CABCVRRESA-N 1 1 329.408 0.552 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@@H]1n1ccnn1 ZINC001070329431 783837645 /nfs/dbraw/zinc/83/76/45/783837645.db2.gz PMAKNQSJRLGEHR-KGLIPLIRSA-N 1 1 347.810 0.784 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001038136666 783902618 /nfs/dbraw/zinc/90/26/18/783902618.db2.gz GCTWQNZNIVHYPB-CQSZACIVSA-N 1 1 327.392 0.599 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001038136666 783902623 /nfs/dbraw/zinc/90/26/23/783902623.db2.gz GCTWQNZNIVHYPB-CQSZACIVSA-N 1 1 327.392 0.599 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2snnc2C)C1 ZINC001070396595 783959507 /nfs/dbraw/zinc/95/95/07/783959507.db2.gz SYLQINNYWUVQMY-LLVKDONJSA-N 1 1 330.417 0.922 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001070403252 783977890 /nfs/dbraw/zinc/97/78/90/783977890.db2.gz OLNSTTQWKLNFAC-GOEBONIOSA-N 1 1 345.447 0.169 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001070409773 783997750 /nfs/dbraw/zinc/99/77/50/783997750.db2.gz LXWGRJMHIJXKBH-LLVKDONJSA-N 1 1 338.433 0.046 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001070417185 784021638 /nfs/dbraw/zinc/02/16/38/784021638.db2.gz WEZXBBIMECBARL-GFCCVEGCSA-N 1 1 338.415 0.974 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC2=O)C1 ZINC001070419690 784025671 /nfs/dbraw/zinc/02/56/71/784025671.db2.gz GGMFCTWPMHWEHJ-OCCSQVGLSA-N 1 1 331.420 0.527 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nnn(C)n2)C1 ZINC001070421209 784029632 /nfs/dbraw/zinc/02/96/32/784029632.db2.gz DSSLJWNYJKAVHE-LLVKDONJSA-N 1 1 330.396 0.229 20 30 ECEDMO C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001070422737 784035719 /nfs/dbraw/zinc/03/57/19/784035719.db2.gz HKTZPXXWCACVIF-OAHLLOKOSA-N 1 1 329.448 0.790 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001070423141 784036737 /nfs/dbraw/zinc/03/67/37/784036737.db2.gz RFGLFKFXXOAIKM-LBPRGKRZSA-N 1 1 342.403 0.788 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2c[nH]nc2[C@H]2CCN(CC#N)C2)C1 ZINC001070433807 784059865 /nfs/dbraw/zinc/05/98/65/784059865.db2.gz DWGPEAKEFUIZKM-DZGCQCFKSA-N 1 1 346.435 0.059 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2c[nH]nc2[C@H]2CCN(CC#N)C2)C1 ZINC001070433807 784059872 /nfs/dbraw/zinc/05/98/72/784059872.db2.gz DWGPEAKEFUIZKM-DZGCQCFKSA-N 1 1 346.435 0.059 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001070903987 784084236 /nfs/dbraw/zinc/08/42/36/784084236.db2.gz SZQOXSJKEZOODC-IMJJTQAJSA-N 1 1 342.399 0.758 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001070903987 784084242 /nfs/dbraw/zinc/08/42/42/784084242.db2.gz SZQOXSJKEZOODC-IMJJTQAJSA-N 1 1 342.399 0.758 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)/C=C\c2ccco2)CC1 ZINC001070932249 784145484 /nfs/dbraw/zinc/14/54/84/784145484.db2.gz FZRZSTCKYKCMSU-SREVYHEPSA-N 1 1 329.400 0.967 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)/C=C\c2ccco2)CC1 ZINC001070932249 784145491 /nfs/dbraw/zinc/14/54/91/784145491.db2.gz FZRZSTCKYKCMSU-SREVYHEPSA-N 1 1 329.400 0.967 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccsc2)CC1 ZINC001070934474 784152222 /nfs/dbraw/zinc/15/22/22/784152222.db2.gz FXXOGGLDCMMBGH-UHFFFAOYSA-N 1 1 333.457 0.964 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccsc2)CC1 ZINC001070934474 784152225 /nfs/dbraw/zinc/15/22/25/784152225.db2.gz FXXOGGLDCMMBGH-UHFFFAOYSA-N 1 1 333.457 0.964 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070499147 784196254 /nfs/dbraw/zinc/19/62/54/784196254.db2.gz DXQMOUUQZSDYAK-GOEBONIOSA-N 1 1 326.404 0.293 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC(=O)NCC[N@H+](CC3CCC3)CC2)c[nH]1 ZINC001070955085 784216833 /nfs/dbraw/zinc/21/68/33/784216833.db2.gz JYHQNULIKWNXDS-UHFFFAOYSA-N 1 1 343.431 0.951 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[C@](C)(O)C2CC2)CC1 ZINC001070956292 784220847 /nfs/dbraw/zinc/22/08/47/784220847.db2.gz KOZQHEYKXZMLCD-SFHVURJKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[C@](C)(O)C2CC2)CC1 ZINC001070956292 784220849 /nfs/dbraw/zinc/22/08/49/784220849.db2.gz KOZQHEYKXZMLCD-SFHVURJKSA-N 1 1 337.464 0.764 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CCCF)CC2)[nH]1 ZINC001070956525 784221510 /nfs/dbraw/zinc/22/15/10/784221510.db2.gz RARBFYMUEYPVEC-UHFFFAOYSA-N 1 1 335.383 0.510 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CCCF)CC2)[nH]1 ZINC001070956525 784221518 /nfs/dbraw/zinc/22/15/18/784221518.db2.gz RARBFYMUEYPVEC-UHFFFAOYSA-N 1 1 335.383 0.510 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001070971735 784276971 /nfs/dbraw/zinc/27/69/71/784276971.db2.gz OZNQCKREAYJNTE-WBVHZDCISA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001070971735 784276976 /nfs/dbraw/zinc/27/69/76/784276976.db2.gz OZNQCKREAYJNTE-WBVHZDCISA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC001070977830 784296654 /nfs/dbraw/zinc/29/66/54/784296654.db2.gz LFLIGIVDJOSUQA-UHFFFAOYSA-N 1 1 345.447 0.739 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC001070977830 784296663 /nfs/dbraw/zinc/29/66/63/784296663.db2.gz LFLIGIVDJOSUQA-UHFFFAOYSA-N 1 1 345.447 0.739 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccon2)CC1 ZINC001070980217 784307912 /nfs/dbraw/zinc/30/79/12/784307912.db2.gz VHSNGNSMXLENAP-UHFFFAOYSA-N 1 1 334.420 0.834 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)nn(C)c2C)CC1 ZINC001070984108 784320826 /nfs/dbraw/zinc/32/08/26/784320826.db2.gz UHIUVJJHUKZMNK-UHFFFAOYSA-N 1 1 347.463 0.877 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)nn(C)c2C)CC1 ZINC001070984108 784320833 /nfs/dbraw/zinc/32/08/33/784320833.db2.gz UHIUVJJHUKZMNK-UHFFFAOYSA-N 1 1 347.463 0.877 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCOC[C@@H]2C)CC1 ZINC001070996478 784356467 /nfs/dbraw/zinc/35/64/67/784356467.db2.gz UEHDDWFDDATHJW-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)n[nH]c2C)CC1 ZINC001071009269 784397500 /nfs/dbraw/zinc/39/75/00/784397500.db2.gz IKLKWYOTWRZKQY-UHFFFAOYSA-N 1 1 333.436 0.867 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)n[nH]c2C)CC1 ZINC001071009269 784397509 /nfs/dbraw/zinc/39/75/09/784397509.db2.gz IKLKWYOTWRZKQY-UHFFFAOYSA-N 1 1 333.436 0.867 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCCOC2)n1 ZINC001070594668 784402567 /nfs/dbraw/zinc/40/25/67/784402567.db2.gz JADPDYVLYMNEDI-JYJNAYRXSA-N 1 1 346.431 0.971 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ncn(C)n2)n1 ZINC001070596450 784406718 /nfs/dbraw/zinc/40/67/18/784406718.db2.gz HQIZAZAGWIYMFS-STQMWFEESA-N 1 1 345.407 0.539 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001070597840 784409218 /nfs/dbraw/zinc/40/92/18/784409218.db2.gz ZFRZZXCOOVZXQN-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc[nH]c2C)n1 ZINC001070600074 784416213 /nfs/dbraw/zinc/41/62/13/784416213.db2.gz ATDJSFXLVBNOCF-KBPBESRZSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2[nH]cnc2C)n1 ZINC001070600074 784416222 /nfs/dbraw/zinc/41/62/22/784416222.db2.gz ATDJSFXLVBNOCF-KBPBESRZSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2[nH]cnc2C)n1 ZINC001070600074 784416226 /nfs/dbraw/zinc/41/62/26/784416226.db2.gz ATDJSFXLVBNOCF-KBPBESRZSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ccnn2C)n1 ZINC001070601542 784418200 /nfs/dbraw/zinc/41/82/00/784418200.db2.gz MNTMYLHIINBJRF-UONOGXRCSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C2CC(OC)C2)n1 ZINC001070604551 784423698 /nfs/dbraw/zinc/42/36/98/784423698.db2.gz MCFRFOPJNHTSJP-BHDPWAOGSA-N 1 1 346.431 0.969 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001071017305 784429429 /nfs/dbraw/zinc/42/94/29/784429429.db2.gz RDISCPMVSQNTQR-UHFFFAOYSA-N 1 1 347.463 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cn2ccnc2C)CC1 ZINC001071020596 784439606 /nfs/dbraw/zinc/43/96/06/784439606.db2.gz KXVMFFNUOWDMMV-UHFFFAOYSA-N 1 1 347.463 0.808 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001070663641 784520653 /nfs/dbraw/zinc/52/06/53/784520653.db2.gz KCNULPVSZPFDGV-VKJFTORMSA-N 1 1 337.464 0.905 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1 ZINC001070689817 784556731 /nfs/dbraw/zinc/55/67/31/784556731.db2.gz QUMPMMHGFUAZTE-RBSFLKMASA-N 1 1 330.436 0.312 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CN=NC1=O)C[C@@H](C)O2 ZINC001071158939 784624359 /nfs/dbraw/zinc/62/43/59/784624359.db2.gz DVKDCVREADFRIR-CZUORRHYSA-N 1 1 335.408 0.252 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)C[C@H](C)O2 ZINC001071159523 784625769 /nfs/dbraw/zinc/62/57/69/784625769.db2.gz NGDDJKIEGRILPB-RDJZCZTQSA-N 1 1 331.420 0.383 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001070733583 784628789 /nfs/dbraw/zinc/62/87/89/784628789.db2.gz LODBQPZADYTKAL-UONOGXRCSA-N 1 1 348.426 0.481 20 30 ECEDMO C#CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)C2CC[NH+](C)CC2)[nH]1 ZINC001070733583 784628794 /nfs/dbraw/zinc/62/87/94/784628794.db2.gz LODBQPZADYTKAL-UONOGXRCSA-N 1 1 348.426 0.481 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccnn1C)C[C@@H](C)O2 ZINC001071162406 784632774 /nfs/dbraw/zinc/63/27/74/784632774.db2.gz TXEWPWDTIWTCTG-CRAIPNDOSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1ccncn1)C[C@@H](C)O2 ZINC001071170688 784651258 /nfs/dbraw/zinc/65/12/58/784651258.db2.gz BAJOVWPQPLRGJY-CRAIPNDOSA-N 1 1 328.416 0.734 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)C[C@@H](C)O2 ZINC001071171285 784652438 /nfs/dbraw/zinc/65/24/38/784652438.db2.gz KRRCWSMTZIZTAN-DYVFJYSZSA-N 1 1 348.451 0.920 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn3c(n1)CCC3)C[C@@H](C)O2 ZINC001071172277 784655319 /nfs/dbraw/zinc/65/53/19/784655319.db2.gz ZPGBIYKSLXSHRF-KDOFPFPSSA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn3c(n1)CCC3)C[C@@H](C)O2 ZINC001071172277 784655324 /nfs/dbraw/zinc/65/53/24/784655324.db2.gz ZPGBIYKSLXSHRF-KDOFPFPSSA-N 1 1 328.416 0.768 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nnn1CC)C[C@@H](C)O2 ZINC001071175571 784663143 /nfs/dbraw/zinc/66/31/43/784663143.db2.gz GXDNJEHWTDYZSU-KDOFPFPSSA-N 1 1 345.447 0.935 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3n[nH]nc3c1)C[C@H](C)O2 ZINC001071176317 784664987 /nfs/dbraw/zinc/66/49/87/784664987.db2.gz UOJBGHPOKVMKDF-YVEFUNNKSA-N 1 1 342.403 0.844 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@@H](C)O2 ZINC001071179972 784677471 /nfs/dbraw/zinc/67/74/71/784677471.db2.gz CWZQTZFGCNUCOC-BEFAXECRSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCNC1=O)C[C@H](C)O2 ZINC001071183285 784682566 /nfs/dbraw/zinc/68/25/66/784682566.db2.gz LWQLMEJXJNHAMZ-MAUKXSAKSA-N 1 1 348.447 0.117 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@H](C)O2 ZINC001071185462 784687962 /nfs/dbraw/zinc/68/79/62/784687962.db2.gz HDHAOHHJBGKADO-YJBOKZPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@H](C)O2 ZINC001071189337 784693849 /nfs/dbraw/zinc/69/38/49/784693849.db2.gz JQCLAFUJWZXTHD-GUYCJALGSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@@H](C)O2 ZINC001071189336 784694339 /nfs/dbraw/zinc/69/43/39/784694339.db2.gz JQCLAFUJWZXTHD-DYVFJYSZSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@@H](C)O2 ZINC001071189211 784694600 /nfs/dbraw/zinc/69/46/00/784694600.db2.gz HODZMQTZHLZPAL-CXAGYDPISA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@@H](C)O2 ZINC001071189211 784694605 /nfs/dbraw/zinc/69/46/05/784694605.db2.gz HODZMQTZHLZPAL-CXAGYDPISA-N 1 1 330.388 0.424 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001070811567 784708213 /nfs/dbraw/zinc/70/82/13/784708213.db2.gz RFNKTUFDXVYRLN-HUUCEWRRSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001070811567 784708216 /nfs/dbraw/zinc/70/82/16/784708216.db2.gz RFNKTUFDXVYRLN-HUUCEWRRSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@H](C)O2 ZINC001071194462 784709530 /nfs/dbraw/zinc/70/95/30/784709530.db2.gz JNPYVQZSLHEIGH-MAUKXSAKSA-N 1 1 345.447 0.556 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@H](C)O2 ZINC001071201725 784723249 /nfs/dbraw/zinc/72/32/49/784723249.db2.gz JJNWPRJLDYRCGQ-GUYCJALGSA-N 1 1 330.388 0.099 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](Cc3ccccc3C#N)C2)O1 ZINC001071207045 784736877 /nfs/dbraw/zinc/73/68/77/784736877.db2.gz UESOIWWRXCNYPH-FZKQIMNGSA-N 1 1 342.399 0.235 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](Cc3ccccc3C#N)C2)O1 ZINC001071207045 784736883 /nfs/dbraw/zinc/73/68/83/784736883.db2.gz UESOIWWRXCNYPH-FZKQIMNGSA-N 1 1 342.399 0.235 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cc1OC)C[C@H](C)O2 ZINC001071211837 784746824 /nfs/dbraw/zinc/74/68/24/784746824.db2.gz OOBARHATGODVPT-SCLBCKFNSA-N 1 1 345.399 0.734 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@H](C)O2 ZINC001071211998 784747764 /nfs/dbraw/zinc/74/77/64/784747764.db2.gz QREMJMBKRRUSDP-UGSOOPFHSA-N 1 1 344.415 0.442 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@H](C)O2 ZINC001071212289 784748611 /nfs/dbraw/zinc/74/86/11/784748611.db2.gz VSPWIICLRJVDKK-SCLBCKFNSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ncn(C(C)(C)C)n1)C[C@@H](C)O2 ZINC001071214036 784751770 /nfs/dbraw/zinc/75/17/70/784751770.db2.gz OBUXHTISQCWKIV-RDTXWAMCSA-N 1 1 345.447 0.972 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ncn(C(C)(C)C)n1)C[C@@H](C)O2 ZINC001071214036 784751777 /nfs/dbraw/zinc/75/17/77/784751777.db2.gz OBUXHTISQCWKIV-RDTXWAMCSA-N 1 1 345.447 0.972 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nccc1C)C[C@H](C)O2 ZINC001071216897 784758610 /nfs/dbraw/zinc/75/86/10/784758610.db2.gz XVTVJLFECSVXDW-WMZOPIPTSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cnnn1)C[C@@H](C)O2 ZINC001071223993 784778319 /nfs/dbraw/zinc/77/83/19/784778319.db2.gz XSGJPDHBHMDQGE-ZBFHGGJFSA-N 1 1 334.424 0.331 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1)C1CCC1 ZINC001070889630 784795415 /nfs/dbraw/zinc/79/54/15/784795415.db2.gz AVTXVKOIVYXILQ-CYBMUJFWSA-N 1 1 338.477 0.835 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@@H](C)O2 ZINC001071233517 784797879 /nfs/dbraw/zinc/79/78/79/784797879.db2.gz KBJJBOMOUMSXDL-DYVFJYSZSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@@H](C)O2 ZINC001071233517 784797886 /nfs/dbraw/zinc/79/78/86/784797886.db2.gz KBJJBOMOUMSXDL-DYVFJYSZSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@H](C)O2 ZINC001071240292 784811888 /nfs/dbraw/zinc/81/18/88/784811888.db2.gz COIINZGKIYMSGR-UGSOOPFHSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@H](C)O2 ZINC001071248180 784830016 /nfs/dbraw/zinc/83/00/16/784830016.db2.gz FZZIOHJDIGVCGR-KSSFIOAISA-N 1 1 345.447 0.935 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)C(=O)C1 ZINC001071275351 784915162 /nfs/dbraw/zinc/91/51/62/784915162.db2.gz DHFNUMAFLMWREE-OAHLLOKOSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)C(=O)C1 ZINC001071275351 784915166 /nfs/dbraw/zinc/91/51/66/784915166.db2.gz DHFNUMAFLMWREE-OAHLLOKOSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H](C)C1 ZINC001071808704 785136727 /nfs/dbraw/zinc/13/67/27/785136727.db2.gz KNNDQVPQNSZLET-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001071812389 785142403 /nfs/dbraw/zinc/14/24/03/785142403.db2.gz RSASWEJRXRKXKR-UONOGXRCSA-N 1 1 325.453 0.882 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC[C@H]1C ZINC001071836045 785191902 /nfs/dbraw/zinc/19/19/02/785191902.db2.gz SFDLJCXALDUNBG-KGLIPLIRSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC[C@H]1C ZINC001071509002 785216882 /nfs/dbraw/zinc/21/68/82/785216882.db2.gz WFVHVPFKZXERFL-ZIAGYGMSSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)C2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC001071862787 785236218 /nfs/dbraw/zinc/23/62/18/785236218.db2.gz ZXAPAUNLKNFDOJ-DZGCQCFKSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC001071862787 785236224 /nfs/dbraw/zinc/23/62/24/785236224.db2.gz ZXAPAUNLKNFDOJ-DZGCQCFKSA-N 1 1 326.462 0.804 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071548239 785283410 /nfs/dbraw/zinc/28/34/10/785283410.db2.gz CIGYXMUJEPKARE-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001068764387 791098858 /nfs/dbraw/zinc/09/88/58/791098858.db2.gz POQYJEXBLYVOJM-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001071926475 785349343 /nfs/dbraw/zinc/34/93/43/785349343.db2.gz YOIHXPMPSZFAMS-DOMZBBRYSA-N 1 1 331.420 0.805 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC[C@H]1C ZINC001071930390 785354019 /nfs/dbraw/zinc/35/40/19/785354019.db2.gz DHRNVHDEGNUTBN-ZBFHGGJFSA-N 1 1 330.432 0.853 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1C ZINC001071966491 785432380 /nfs/dbraw/zinc/43/23/80/785432380.db2.gz FLTZBYFWASFWRS-STQMWFEESA-N 1 1 336.436 0.862 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@@H]1C ZINC001071670346 785491344 /nfs/dbraw/zinc/49/13/44/785491344.db2.gz JKBRCGFADXYCHD-LSDHHAIUSA-N 1 1 346.431 0.496 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC)C1 ZINC001072022572 785540292 /nfs/dbraw/zinc/54/02/92/785540292.db2.gz BQPZVYNRIZALIJ-RHSMWYFYSA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC)C1 ZINC001072022572 785540297 /nfs/dbraw/zinc/54/02/97/785540297.db2.gz BQPZVYNRIZALIJ-RHSMWYFYSA-N 1 1 327.428 0.926 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2cnc3c(c2)nnn3C)CC[C@H]1C ZINC001071694778 785540854 /nfs/dbraw/zinc/54/08/54/785540854.db2.gz JQUAGHJFDAIPOZ-TZMCWYRMSA-N 1 1 326.404 0.969 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cnc3c(c2)nnn3C)CC[C@H]1C ZINC001071694778 785540859 /nfs/dbraw/zinc/54/08/59/785540859.db2.gz JQUAGHJFDAIPOZ-TZMCWYRMSA-N 1 1 326.404 0.969 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1C ZINC001072050283 785573916 /nfs/dbraw/zinc/57/39/16/785573916.db2.gz USRARVDSQNVTQR-CHWSQXEVSA-N 1 1 336.436 0.862 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1C ZINC001072069626 785614911 /nfs/dbraw/zinc/61/49/11/785614911.db2.gz JYEAZIMZSAQEAX-HUUCEWRRSA-N 1 1 343.493 0.262 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001072282838 785968387 /nfs/dbraw/zinc/96/83/87/785968387.db2.gz KJFFPVFEHLDIGE-IUODEOHRSA-N 1 1 331.420 0.803 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)nc1 ZINC001072285853 785976263 /nfs/dbraw/zinc/97/62/63/785976263.db2.gz BOBUZVFOMORZRM-PBHICJAKSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)c1 ZINC001072287695 785986559 /nfs/dbraw/zinc/98/65/59/785986559.db2.gz ZTILFNFKWFFNPQ-WMLDXEAASA-N 1 1 342.443 0.980 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001072335430 786041067 /nfs/dbraw/zinc/04/10/67/786041067.db2.gz DCDHADKMVYBJFT-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001072394037 786127241 /nfs/dbraw/zinc/12/72/41/786127241.db2.gz VVZUWCQDSFYCAP-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C2 ZINC001072544733 786349333 /nfs/dbraw/zinc/34/93/33/786349333.db2.gz VVMLMVCZTWZSRS-LBPRGKRZSA-N 1 1 347.419 0.011 20 30 ECEDMO C=CCN1CC[C@H](N2CCC3(CN(C(=O)[C@@H]4CCC[N@H+]4C)C3)C2)C1=O ZINC001072553643 786359061 /nfs/dbraw/zinc/35/90/61/786359061.db2.gz GGZXUPRMGBXRAV-HOTGVXAUSA-N 1 1 346.475 0.402 20 30 ECEDMO C=CCN1CC[C@H](N2CCC3(CN(C(=O)[C@@H]4CCC[N@@H+]4C)C3)C2)C1=O ZINC001072553643 786359067 /nfs/dbraw/zinc/35/90/67/786359067.db2.gz GGZXUPRMGBXRAV-HOTGVXAUSA-N 1 1 346.475 0.402 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)C(=O)C(C)(C)C)C3)C2)C1=O ZINC001072556671 786364686 /nfs/dbraw/zinc/36/46/86/786364686.db2.gz VUJXERKQMZXQHQ-AWEZNQCLSA-N 1 1 347.459 0.923 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)C(=O)C(C)(C)C)C3)C2)C1=O ZINC001072556671 786364690 /nfs/dbraw/zinc/36/46/90/786364690.db2.gz VUJXERKQMZXQHQ-AWEZNQCLSA-N 1 1 347.459 0.923 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccn4nnnc34)C[C@H]21 ZINC001074251765 786520215 /nfs/dbraw/zinc/52/02/15/786520215.db2.gz CCRLDKUMGGIHPJ-HUUCEWRRSA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccn4nnnc34)C[C@H]21 ZINC001074251765 786520217 /nfs/dbraw/zinc/52/02/17/786520217.db2.gz CCRLDKUMGGIHPJ-HUUCEWRRSA-N 1 1 342.403 0.616 20 30 ECEDMO Cn1cc(C[N@@H+]2CCCO[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001073574540 786654776 /nfs/dbraw/zinc/65/47/76/786654776.db2.gz VJCFTGWAIMEHQA-OAHLLOKOSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1cc(C[N@H+]2CCCO[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001073574540 786654779 /nfs/dbraw/zinc/65/47/79/786654779.db2.gz VJCFTGWAIMEHQA-OAHLLOKOSA-N 1 1 342.403 0.641 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 ZINC001074322332 786672127 /nfs/dbraw/zinc/67/21/27/786672127.db2.gz SVIAGROKPJVDSM-CVEARBPZSA-N 1 1 334.420 0.677 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 ZINC001074322332 786672131 /nfs/dbraw/zinc/67/21/31/786672131.db2.gz SVIAGROKPJVDSM-CVEARBPZSA-N 1 1 334.420 0.677 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001073620875 786786359 /nfs/dbraw/zinc/78/63/59/786786359.db2.gz QMGDDSPDZXJHQN-AWEZNQCLSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@@H]21 ZINC001074377459 786798216 /nfs/dbraw/zinc/79/82/16/786798216.db2.gz LHQGVARPIUDEID-LSDHHAIUSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@@H]21 ZINC001074377459 786798220 /nfs/dbraw/zinc/79/82/20/786798220.db2.gz LHQGVARPIUDEID-LSDHHAIUSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc3c2OCCO3)C1 ZINC001073627254 786805177 /nfs/dbraw/zinc/80/51/77/786805177.db2.gz KRZRKFPXIZPFKM-CQSZACIVSA-N 1 1 330.384 0.912 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3c2OCCO3)C1 ZINC001073627254 786805188 /nfs/dbraw/zinc/80/51/88/786805188.db2.gz KRZRKFPXIZPFKM-CQSZACIVSA-N 1 1 330.384 0.912 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073630314 786814870 /nfs/dbraw/zinc/81/48/70/786814870.db2.gz RRZFOBCQGZDDOK-LSDHHAIUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073630314 786814881 /nfs/dbraw/zinc/81/48/81/786814881.db2.gz RRZFOBCQGZDDOK-LSDHHAIUSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)CCCO1 ZINC001073636575 786833163 /nfs/dbraw/zinc/83/31/63/786833163.db2.gz AZMAXZWADXDTQV-AWEZNQCLSA-N 1 1 334.420 0.241 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)CCCO1 ZINC001073636575 786833172 /nfs/dbraw/zinc/83/31/72/786833172.db2.gz AZMAXZWADXDTQV-AWEZNQCLSA-N 1 1 334.420 0.241 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001073636952 786836487 /nfs/dbraw/zinc/83/64/87/786836487.db2.gz LTFLUQDWFYQKBD-CQSZACIVSA-N 1 1 343.383 0.471 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001073636952 786836498 /nfs/dbraw/zinc/83/64/98/786836498.db2.gz LTFLUQDWFYQKBD-CQSZACIVSA-N 1 1 343.383 0.471 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)CCCO1 ZINC001073636801 786836622 /nfs/dbraw/zinc/83/66/22/786836622.db2.gz HXRATILBDDEZHN-HNNXBMFYSA-N 1 1 348.447 0.583 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)CCCO1 ZINC001073636801 786836633 /nfs/dbraw/zinc/83/66/33/786836633.db2.gz HXRATILBDDEZHN-HNNXBMFYSA-N 1 1 348.447 0.583 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001073639696 786843374 /nfs/dbraw/zinc/84/33/74/786843374.db2.gz JVLCTMWLNKHLRC-ZDUSSCGKSA-N 1 1 330.392 0.750 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001073639366 786843938 /nfs/dbraw/zinc/84/39/38/786843938.db2.gz GYEIHZJAZSOWEX-ZDUSSCGKSA-N 1 1 328.376 0.197 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001073660562 786902774 /nfs/dbraw/zinc/90/27/74/786902774.db2.gz IPJXJHQBNVWHEZ-IRXDYDNUSA-N 1 1 344.459 0.984 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001073671066 786928810 /nfs/dbraw/zinc/92/88/10/786928810.db2.gz VFUODMGBOXGZDL-CQSZACIVSA-N 1 1 332.404 0.735 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001073671066 786928813 /nfs/dbraw/zinc/92/88/13/786928813.db2.gz VFUODMGBOXGZDL-CQSZACIVSA-N 1 1 332.404 0.735 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001073677759 786949013 /nfs/dbraw/zinc/94/90/13/786949013.db2.gz RJYRLRRAMRHSHV-INIZCTEOSA-N 1 1 349.431 0.501 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001073687459 786971706 /nfs/dbraw/zinc/97/17/06/786971706.db2.gz RSOUXEWZFGVWMS-INIZCTEOSA-N 1 1 345.399 0.005 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001073687459 786971709 /nfs/dbraw/zinc/97/17/09/786971709.db2.gz RSOUXEWZFGVWMS-INIZCTEOSA-N 1 1 345.399 0.005 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001073712715 787028002 /nfs/dbraw/zinc/02/80/02/787028002.db2.gz KEZDHJKLJRKGIY-HUUCEWRRSA-N 1 1 346.431 0.758 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001073713194 787030013 /nfs/dbraw/zinc/03/00/13/787030013.db2.gz VQBPGCIUQMNXEP-ZIAGYGMSSA-N 1 1 332.404 0.368 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001073713194 787030022 /nfs/dbraw/zinc/03/00/22/787030022.db2.gz VQBPGCIUQMNXEP-ZIAGYGMSSA-N 1 1 332.404 0.368 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@@H](C)C(=O)NC)CCCO2)cc1 ZINC001073723367 787062394 /nfs/dbraw/zinc/06/23/94/787062394.db2.gz HSLDXALCEWQMKL-YOEHRIQHSA-N 1 1 343.427 0.623 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)CCCO2)cc1 ZINC001073723367 787062405 /nfs/dbraw/zinc/06/24/05/787062405.db2.gz HSLDXALCEWQMKL-YOEHRIQHSA-N 1 1 343.427 0.623 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001073744238 787105329 /nfs/dbraw/zinc/10/53/29/787105329.db2.gz KGPTZSZDRMVWMK-UONOGXRCSA-N 1 1 340.493 0.938 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001073781629 787190798 /nfs/dbraw/zinc/19/07/98/787190798.db2.gz IUZOEKGWUAKNSU-AWEZNQCLSA-N 1 1 346.431 0.195 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nn(C)c3c2CCCC3)C1 ZINC001073786085 787197818 /nfs/dbraw/zinc/19/78/18/787197818.db2.gz UGVDLAZIXSQHBZ-AWEZNQCLSA-N 1 1 330.432 0.753 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nn(C)c3c2CCCC3)C1 ZINC001073786085 787197824 /nfs/dbraw/zinc/19/78/24/787197824.db2.gz UGVDLAZIXSQHBZ-AWEZNQCLSA-N 1 1 330.432 0.753 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001073804453 787233881 /nfs/dbraw/zinc/23/38/81/787233881.db2.gz MVBOCPZJBNJQGY-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001073819028 787261112 /nfs/dbraw/zinc/26/11/12/787261112.db2.gz VWSCXGKNESKPAL-SNVBAGLBSA-N 1 1 330.310 0.882 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001073819028 787261117 /nfs/dbraw/zinc/26/11/17/787261117.db2.gz VWSCXGKNESKPAL-SNVBAGLBSA-N 1 1 330.310 0.882 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001073821294 787266025 /nfs/dbraw/zinc/26/60/25/787266025.db2.gz FUXHTVMORAFCJU-OAHLLOKOSA-N 1 1 335.404 0.922 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001074566892 787276811 /nfs/dbraw/zinc/27/68/11/787276811.db2.gz ZPLHHXYUBZYFPL-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001073831940 787303293 /nfs/dbraw/zinc/30/32/93/787303293.db2.gz IMGKTCXGHNNUSL-INIZCTEOSA-N 1 1 341.415 0.812 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001073847933 787346132 /nfs/dbraw/zinc/34/61/32/787346132.db2.gz NUROWBFCWLRWEH-HUUCEWRRSA-N 1 1 349.431 0.848 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001073847932 787346470 /nfs/dbraw/zinc/34/64/70/787346470.db2.gz NUROWBFCWLRWEH-GJZGRUSLSA-N 1 1 349.431 0.848 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001073853455 787365297 /nfs/dbraw/zinc/36/52/97/787365297.db2.gz FXVKZTBPJRJFFL-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001073853455 787365308 /nfs/dbraw/zinc/36/53/08/787365308.db2.gz FXVKZTBPJRJFFL-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001073859271 787377394 /nfs/dbraw/zinc/37/73/94/787377394.db2.gz FSLHXSZOYGFQPO-ZBFHGGJFSA-N 1 1 330.432 0.745 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001073877197 787421327 /nfs/dbraw/zinc/42/13/27/787421327.db2.gz XVYFAIKRMBURDR-CQSZACIVSA-N 1 1 344.419 0.830 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001073886879 787440344 /nfs/dbraw/zinc/44/03/44/787440344.db2.gz ZUCZJKFKZZOURP-CQSZACIVSA-N 1 1 340.383 0.789 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001073886879 787440348 /nfs/dbraw/zinc/44/03/48/787440348.db2.gz ZUCZJKFKZZOURP-CQSZACIVSA-N 1 1 340.383 0.789 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001073892805 787456763 /nfs/dbraw/zinc/45/67/63/787456763.db2.gz AORCUWZJRGFALD-OAHLLOKOSA-N 1 1 330.388 0.025 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001073895940 787463960 /nfs/dbraw/zinc/46/39/60/787463960.db2.gz GMPNXGYBFKKLBT-HOCLYGCPSA-N 1 1 332.375 0.970 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001073895940 787463961 /nfs/dbraw/zinc/46/39/61/787463961.db2.gz GMPNXGYBFKKLBT-HOCLYGCPSA-N 1 1 332.375 0.970 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001073896110 787464237 /nfs/dbraw/zinc/46/42/37/787464237.db2.gz KZXZQUVCGHEAFV-GDBMZVCRSA-N 1 1 330.432 0.745 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001073896036 787465037 /nfs/dbraw/zinc/46/50/37/787465037.db2.gz JIJWYCLNGQVOEE-CYBMUJFWSA-N 1 1 332.404 0.577 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(N(C)C)ccn2)C1 ZINC001073905295 787490297 /nfs/dbraw/zinc/49/02/97/787490297.db2.gz AOZLRHQNJAPRDR-MRXNPFEDSA-N 1 1 330.432 0.992 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001074662182 787534415 /nfs/dbraw/zinc/53/44/15/787534415.db2.gz IRJNREKLXQYMSD-AWEZNQCLSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001073962526 787592988 /nfs/dbraw/zinc/59/29/88/787592988.db2.gz FWAMTEDETSXVNI-GOEBONIOSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001073971010 787607384 /nfs/dbraw/zinc/60/73/84/787607384.db2.gz CYUGQYXZYMNPGD-HOCLYGCPSA-N 1 1 346.431 0.585 20 30 ECEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001074056253 787779142 /nfs/dbraw/zinc/77/91/42/787779142.db2.gz HYAVXNRWYNXSCO-OAHLLOKOSA-N 1 1 344.415 0.887 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001074063148 787795320 /nfs/dbraw/zinc/79/53/20/787795320.db2.gz MMZCCNFNSFXHKF-GOEBONIOSA-N 1 1 346.431 0.585 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N2CCC2)C3)c1 ZINC001072592666 788386874 /nfs/dbraw/zinc/38/68/74/788386874.db2.gz MDFSDOPGGANLLR-UHFFFAOYSA-N 1 1 327.388 0.267 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1=O ZINC001072595193 788391622 /nfs/dbraw/zinc/39/16/22/788391622.db2.gz HAQKDMVOBPOYPE-AWEZNQCLSA-N 1 1 327.388 0.265 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C(C)C)[C@@H]1C ZINC001074899470 788517276 /nfs/dbraw/zinc/51/72/76/788517276.db2.gz CPDLYICMYYCFKV-XGUBFFRZSA-N 1 1 348.451 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001072706721 788625214 /nfs/dbraw/zinc/62/52/14/788625214.db2.gz QJBRYIRPJBEMFX-WMLDXEAASA-N 1 1 342.443 0.980 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072747042 788704024 /nfs/dbraw/zinc/70/40/24/788704024.db2.gz AXQNISYJWCNEMT-ILXRZTDVSA-N 1 1 333.432 0.390 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001072756362 788728556 /nfs/dbraw/zinc/72/85/56/788728556.db2.gz PJOXAOIARRVUGQ-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001072818149 788882327 /nfs/dbraw/zinc/88/23/27/788882327.db2.gz MZGNMSPBZOWRBR-UHFFFAOYSA-N 1 1 327.812 0.132 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001072818149 788882337 /nfs/dbraw/zinc/88/23/37/788882337.db2.gz MZGNMSPBZOWRBR-UHFFFAOYSA-N 1 1 327.812 0.132 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(=O)N(C)C)C2 ZINC001072822926 788891368 /nfs/dbraw/zinc/89/13/68/788891368.db2.gz WUEWQMHBGGVPLT-CVEARBPZSA-N 1 1 346.475 0.095 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001075090715 788892392 /nfs/dbraw/zinc/89/23/92/788892392.db2.gz JYSZINSFQIITCY-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C2)C1 ZINC001072896954 789060454 /nfs/dbraw/zinc/06/04/54/789060454.db2.gz PVKZNNDAIIPBBN-UHFFFAOYSA-N 1 1 340.383 0.584 20 30 ECEDMO C=CC[N@@H+]1CCC2(CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C2)C1 ZINC001072978217 789202069 /nfs/dbraw/zinc/20/20/69/789202069.db2.gz IXYMCDKFSVEOIX-UHFFFAOYSA-N 1 1 330.432 0.857 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001073025359 789295251 /nfs/dbraw/zinc/29/52/51/789295251.db2.gz LFPRVSTWMXBSPU-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CC[N@@H+](Cc2cncn2C)C3)nn1 ZINC001073042654 789334049 /nfs/dbraw/zinc/33/40/49/789334049.db2.gz FAIITZHNPDLWSU-UHFFFAOYSA-N 1 1 341.419 0.546 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CC[N@H+](Cc2cncn2C)C3)nn1 ZINC001073042654 789334061 /nfs/dbraw/zinc/33/40/61/789334061.db2.gz FAIITZHNPDLWSU-UHFFFAOYSA-N 1 1 341.419 0.546 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)[C@H](C)C#N)CC2)C1 ZINC001073065355 789377326 /nfs/dbraw/zinc/37/73/26/789377326.db2.gz IEJOGJCZCCIAGZ-ZIAGYGMSSA-N 1 1 336.436 0.364 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)[C@H](C)C#N)CC2)C1 ZINC001073065355 789377333 /nfs/dbraw/zinc/37/73/33/789377333.db2.gz IEJOGJCZCCIAGZ-ZIAGYGMSSA-N 1 1 336.436 0.364 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@]4(C)CCOC4)C3)C2)C1=O ZINC001073084269 789411249 /nfs/dbraw/zinc/41/12/49/789411249.db2.gz YWKSBFPKUMZHOU-QAPCUYQASA-N 1 1 347.459 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H](C)C#N)CC1 ZINC001073121699 789477581 /nfs/dbraw/zinc/47/75/81/789477581.db2.gz IMENAYRZFYNJLB-CABCVRRESA-N 1 1 330.432 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H](C)C#N)CC1 ZINC001073121699 789477585 /nfs/dbraw/zinc/47/75/85/789477585.db2.gz IMENAYRZFYNJLB-CABCVRRESA-N 1 1 330.432 0.741 20 30 ECEDMO O=C([C@@H]1COCCO1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075567823 789507792 /nfs/dbraw/zinc/50/77/92/789507792.db2.gz JHGNZTHOEYHDMC-OTWHNJEPSA-N 1 1 340.423 0.986 20 30 ECEDMO O=C([C@@H]1COCCO1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075567823 789507796 /nfs/dbraw/zinc/50/77/96/789507796.db2.gz JHGNZTHOEYHDMC-OTWHNJEPSA-N 1 1 340.423 0.986 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCN(C)C2=O)C3)nc1 ZINC001073137629 789510563 /nfs/dbraw/zinc/51/05/63/789510563.db2.gz BXWDIFCMLJWOMR-MRXNPFEDSA-N 1 1 338.411 0.442 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001073150222 789530659 /nfs/dbraw/zinc/53/06/59/789530659.db2.gz OUXNGBQEEVHVOX-OAHLLOKOSA-N 1 1 339.461 0.016 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001073260558 789669399 /nfs/dbraw/zinc/66/93/99/789669399.db2.gz NFPBJTHSCYGSFC-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2N(c2ccc(C#N)nn2)CC3)C1 ZINC001069266275 789717955 /nfs/dbraw/zinc/71/79/55/789717955.db2.gz JTFFPHSYVOJXAK-YEWWUXTCSA-N 1 1 340.431 0.918 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001073392930 789784288 /nfs/dbraw/zinc/78/42/88/789784288.db2.gz AZKLBLOGWAXHPP-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001069473585 789848435 /nfs/dbraw/zinc/84/84/35/789848435.db2.gz NLUULHJPJVZJFY-UONOGXRCSA-N 1 1 339.403 0.672 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2C[C@H](Nc3ccnc(C#N)n3)C(C)(C)C2)C1 ZINC001069578367 789914878 /nfs/dbraw/zinc/91/48/78/789914878.db2.gz UQVBOBUIAQCTMJ-KGLIPLIRSA-N 1 1 342.447 0.761 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3ccnc(C#N)n3)C(C)(C)C2)C1 ZINC001069616388 789933836 /nfs/dbraw/zinc/93/38/36/789933836.db2.gz OXSJNGAAOXNLLF-KBPBESRZSA-N 1 1 342.447 0.761 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC(Nc2ncccc2C#N)C1 ZINC001069719265 789986729 /nfs/dbraw/zinc/98/67/29/789986729.db2.gz IQUGELMTXLYBKE-NRXISQOPSA-N 1 1 329.404 0.685 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC(Nc2ncccc2C#N)C1 ZINC001069719265 789986731 /nfs/dbraw/zinc/98/67/31/789986731.db2.gz IQUGELMTXLYBKE-NRXISQOPSA-N 1 1 329.404 0.685 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CC(Nc2nccnc2C#N)C1 ZINC001069744047 790002973 /nfs/dbraw/zinc/00/29/73/790002973.db2.gz ZXAIQMSTAUVHDR-UHFFFAOYSA-N 1 1 325.376 0.955 20 30 ECEDMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069790348 790035638 /nfs/dbraw/zinc/03/56/38/790035638.db2.gz FKWOTPQMCTWSOV-RUXDESIVSA-N 1 1 328.420 0.656 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C2CC(Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001069799581 790040355 /nfs/dbraw/zinc/04/03/55/790040355.db2.gz GJYBCNINZIVKJM-BLYZHGLHSA-N 1 1 328.420 0.512 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)c3nccnc3N)c2C1 ZINC001069855967 790104803 /nfs/dbraw/zinc/10/48/03/790104803.db2.gz AMRCYLREDQUFKC-UHFFFAOYSA-N 1 1 341.419 0.967 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)c3nccnc3N)c2C1 ZINC001069855967 790104806 /nfs/dbraw/zinc/10/48/06/790104806.db2.gz AMRCYLREDQUFKC-UHFFFAOYSA-N 1 1 341.419 0.967 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)c2C1 ZINC001069873830 790135632 /nfs/dbraw/zinc/13/56/32/790135632.db2.gz WLSRQXXVAJQSJD-HOCLYGCPSA-N 1 1 329.448 0.536 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069904951 790174119 /nfs/dbraw/zinc/17/41/19/790174119.db2.gz XMIDKVMWWIUAJD-CVEARBPZSA-N 1 1 331.420 0.460 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@@H](n2ccnn2)C1 ZINC001069911509 790180067 /nfs/dbraw/zinc/18/00/67/790180067.db2.gz TWQHQZSUIVUFHK-CVEARBPZSA-N 1 1 327.388 0.787 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924827 790196012 /nfs/dbraw/zinc/19/60/12/790196012.db2.gz HPQADUOAUZHHJS-IKGGRYGDSA-N 1 1 344.463 0.516 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@@H](n2ccnn2)C1 ZINC001069941979 790218017 /nfs/dbraw/zinc/21/80/17/790218017.db2.gz HGHKHVVUAZAPSE-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069943189 790220223 /nfs/dbraw/zinc/22/02/23/790220223.db2.gz GFFITHDNNXIDAX-CVEARBPZSA-N 1 1 339.403 0.099 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069943189 790220225 /nfs/dbraw/zinc/22/02/25/790220225.db2.gz GFFITHDNNXIDAX-CVEARBPZSA-N 1 1 339.403 0.099 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069947384 790227010 /nfs/dbraw/zinc/22/70/10/790227010.db2.gz ZPBSGYGFHYXVEI-CVEARBPZSA-N 1 1 343.435 0.480 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069947384 790227014 /nfs/dbraw/zinc/22/70/14/790227014.db2.gz ZPBSGYGFHYXVEI-CVEARBPZSA-N 1 1 343.435 0.480 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001069951416 790231561 /nfs/dbraw/zinc/23/15/61/790231561.db2.gz NEFGQZZFSCEOGD-OLZOCXBDSA-N 1 1 345.407 0.637 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069960165 790243001 /nfs/dbraw/zinc/24/30/01/790243001.db2.gz GCSRDSWUCKWYNZ-CVEARBPZSA-N 1 1 342.378 0.420 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069966893 790253996 /nfs/dbraw/zinc/25/39/96/790253996.db2.gz AJMHDOMPAWSVLP-CABCVRRESA-N 1 1 339.403 0.169 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069966893 790254000 /nfs/dbraw/zinc/25/40/00/790254000.db2.gz AJMHDOMPAWSVLP-CABCVRRESA-N 1 1 339.403 0.169 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)C#CC(C)(C)C)CO3)C1 ZINC001068862282 791291430 /nfs/dbraw/zinc/29/14/30/791291430.db2.gz AZVBQOFNVQMUTR-LSDHHAIUSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068870772 791313322 /nfs/dbraw/zinc/31/33/22/791313322.db2.gz GZUWDZAOURGJHW-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001068873653 791318240 /nfs/dbraw/zinc/31/82/40/791318240.db2.gz GIMATLNSMOUNHL-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885476 791342490 /nfs/dbraw/zinc/34/24/90/791342490.db2.gz XGBLLURZYNPVRM-OWCLPIDISA-N 1 1 347.459 0.472 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001068935080 791453336 /nfs/dbraw/zinc/45/33/36/791453336.db2.gz LHTLPMIHGCIRQZ-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066736633 792071815 /nfs/dbraw/zinc/07/18/15/792071815.db2.gz RINUXRXYMCPICU-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066736633 792071825 /nfs/dbraw/zinc/07/18/25/792071825.db2.gz RINUXRXYMCPICU-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)CC2)C1 ZINC001066737010 792073129 /nfs/dbraw/zinc/07/31/29/792073129.db2.gz YIIIWHJOFLTHCF-RDJZCZTQSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)CC2)C1 ZINC001066737010 792073139 /nfs/dbraw/zinc/07/31/39/792073139.db2.gz YIIIWHJOFLTHCF-RDJZCZTQSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2ccc(C#N)nn2)C1 ZINC001066890286 792288457 /nfs/dbraw/zinc/28/84/57/792288457.db2.gz ITAMKIQPVXKOBY-YOEHRIQHSA-N 1 1 344.419 0.208 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCCOC1 ZINC001066992084 792524546 /nfs/dbraw/zinc/52/45/46/792524546.db2.gz CESNNHILDDGULW-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCCOC1 ZINC001066992084 792524552 /nfs/dbraw/zinc/52/45/52/792524552.db2.gz CESNNHILDDGULW-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](C)COC ZINC001067000057 792542420 /nfs/dbraw/zinc/54/24/20/792542420.db2.gz TXADWJSVNCDLPP-CVEARBPZSA-N 1 1 337.464 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](C)COC ZINC001067000057 792542429 /nfs/dbraw/zinc/54/24/29/792542429.db2.gz TXADWJSVNCDLPP-CVEARBPZSA-N 1 1 337.464 0.673 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC1(C)C ZINC001068099513 792669244 /nfs/dbraw/zinc/66/92/44/792669244.db2.gz UZJYGIBQNVUFEQ-KBPBESRZSA-N 1 1 328.420 0.773 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001067081949 792680248 /nfs/dbraw/zinc/68/02/48/792680248.db2.gz ZPSKFKGOAUCLIM-AWEZNQCLSA-N 1 1 325.453 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001067081949 792680250 /nfs/dbraw/zinc/68/02/50/792680250.db2.gz ZPSKFKGOAUCLIM-AWEZNQCLSA-N 1 1 325.453 0.836 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1ccncc1C#N ZINC001067117138 792715096 /nfs/dbraw/zinc/71/50/96/792715096.db2.gz FIKQJWZFSKRPTK-PBHICJAKSA-N 1 1 343.431 0.356 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001068159212 792759942 /nfs/dbraw/zinc/75/99/42/792759942.db2.gz MIDIEBPJCLOYLT-JONQDZQNSA-N 1 1 325.416 0.846 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001068159669 792760559 /nfs/dbraw/zinc/76/05/59/792760559.db2.gz RBXPULKEKADMGA-XQLPTFJDSA-N 1 1 326.404 0.241 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4C#N)C[C@H]32)C1 ZINC001068174965 792786554 /nfs/dbraw/zinc/78/65/54/792786554.db2.gz JJSZYYORSCOLEA-SYQHCUMBSA-N 1 1 326.404 0.098 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1 ZINC001068176058 792788896 /nfs/dbraw/zinc/78/88/96/792788896.db2.gz ZASAVHUUNXJKFB-NGFQHRJXSA-N 1 1 326.404 0.098 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncccn3)C[C@H]21 ZINC001068209247 792831892 /nfs/dbraw/zinc/83/18/92/792831892.db2.gz VTNFFMIWMVQLNV-JONQDZQNSA-N 1 1 325.416 0.373 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncccn3)C[C@H]21 ZINC001068209247 792831899 /nfs/dbraw/zinc/83/18/99/792831899.db2.gz VTNFFMIWMVQLNV-JONQDZQNSA-N 1 1 325.416 0.373 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(C)=O)CC1 ZINC001068246582 792929464 /nfs/dbraw/zinc/92/94/64/792929464.db2.gz AFLVLVRPIMIPGR-SCTDSRPQSA-N 1 1 349.475 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CC(C)(C)O ZINC001067303255 792963561 /nfs/dbraw/zinc/96/35/61/792963561.db2.gz XVORWBBINQNKMA-HNNXBMFYSA-N 1 1 337.464 0.552 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CC(C)(C)O ZINC001067303255 792963567 /nfs/dbraw/zinc/96/35/67/792963567.db2.gz XVORWBBINQNKMA-HNNXBMFYSA-N 1 1 337.464 0.552 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCCN(C)C(=O)C#CC2CC2)C1 ZINC001067380569 793062680 /nfs/dbraw/zinc/06/26/80/793062680.db2.gz PAUSPAOMQBORRS-KRWDZBQOSA-N 1 1 349.475 0.816 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1C ZINC001067420889 793129244 /nfs/dbraw/zinc/12/92/44/793129244.db2.gz PNTCDSHCDGIZHB-TZMCWYRMSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCCC[N@@H+]1C)CCO2 ZINC001068410244 793254516 /nfs/dbraw/zinc/25/45/16/793254516.db2.gz IZLXSKUZQSRQFE-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)C[C@H]1CC[N@H+](C)C1)CCO2 ZINC001068416333 793270663 /nfs/dbraw/zinc/27/06/63/793270663.db2.gz LSLFFRDPUREGJL-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068434999 793309446 /nfs/dbraw/zinc/30/94/46/793309446.db2.gz KIGBPWRFQYVSQG-HOTGVXAUSA-N 1 1 349.475 0.980 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COC ZINC001267436258 837413976 /nfs/dbraw/zinc/41/39/76/837413976.db2.gz FADLOWALSNRVSJ-OTWHNJEPSA-N 1 1 342.439 0.893 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001267458981 837445820 /nfs/dbraw/zinc/44/58/20/837445820.db2.gz FVNMUCXUKJTWMU-PBHICJAKSA-N 1 1 325.453 0.763 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001267458981 837445828 /nfs/dbraw/zinc/44/58/28/837445828.db2.gz FVNMUCXUKJTWMU-PBHICJAKSA-N 1 1 325.453 0.763 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001267466815 837473489 /nfs/dbraw/zinc/47/34/89/837473489.db2.gz RIHJGLPQHIMLHF-HNNXBMFYSA-N 1 1 333.432 0.862 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2c[nH]cc2C)C1 ZINC001267496379 837567420 /nfs/dbraw/zinc/56/74/20/837567420.db2.gz RTJPXCIOBIKSHW-OAHLLOKOSA-N 1 1 330.432 0.999 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2c[nH]cc2C)C1 ZINC001267496379 837567427 /nfs/dbraw/zinc/56/74/27/837567427.db2.gz RTJPXCIOBIKSHW-OAHLLOKOSA-N 1 1 330.432 0.999 20 30 ECEDMO CNC(=O)NC(=O)C[N@@H+](CCCNC(=O)c1ccc(C#N)[nH]1)C(C)C ZINC001267501019 837576191 /nfs/dbraw/zinc/57/61/91/837576191.db2.gz KJUJMJXTBXQONQ-UHFFFAOYSA-N 1 1 348.407 0.172 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)c1ccc(F)cn1)CC(=O)NCC#N ZINC001267501168 837576206 /nfs/dbraw/zinc/57/62/06/837576206.db2.gz MLIVFEPIGKPZEV-UHFFFAOYSA-N 1 1 335.383 0.691 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001267530699 837703491 /nfs/dbraw/zinc/70/34/91/837703491.db2.gz XGYIJWKEDKGNRZ-XHSDSOJGSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(CC=C)C1=O ZINC001267530631 837704399 /nfs/dbraw/zinc/70/43/99/837704399.db2.gz VRSVIAIBJPNLQO-NXOAAHMSSA-N 1 1 345.443 0.487 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)CN2CCCS2(=O)=O)C1 ZINC001267535571 837713033 /nfs/dbraw/zinc/71/30/33/837713033.db2.gz ARHAXSNFTTYTGY-OAHLLOKOSA-N 1 1 343.493 0.816 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc[nH]c(=O)c2)C1 ZINC001267538716 837720563 /nfs/dbraw/zinc/72/05/63/837720563.db2.gz CAYIBEXMQXIURS-HNNXBMFYSA-N 1 1 344.415 0.463 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc[nH]c(=O)c2)C1 ZINC001267538716 837720567 /nfs/dbraw/zinc/72/05/67/837720567.db2.gz CAYIBEXMQXIURS-HNNXBMFYSA-N 1 1 344.415 0.463 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267539761 837724570 /nfs/dbraw/zinc/72/45/70/837724570.db2.gz JPKIRMMIVQHFEF-ZBFHGGJFSA-N 1 1 343.431 0.541 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267539761 837724576 /nfs/dbraw/zinc/72/45/76/837724576.db2.gz JPKIRMMIVQHFEF-ZBFHGGJFSA-N 1 1 343.431 0.541 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cnn(C)c2CC)C1 ZINC001267544417 837733664 /nfs/dbraw/zinc/73/36/64/837733664.db2.gz LGMDHRRTBKRILV-CQSZACIVSA-N 1 1 347.463 0.727 20 30 ECEDMO CCCN(C(=O)[C@H]1CCN(C)C1=O)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267546479 837740491 /nfs/dbraw/zinc/74/04/91/837740491.db2.gz PJJFHEHHXFVQAE-HOTGVXAUSA-N 1 1 335.448 0.427 20 30 ECEDMO CCCN(C(=O)[C@H]1CCN(C)C1=O)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267546479 837740500 /nfs/dbraw/zinc/74/05/00/837740500.db2.gz PJJFHEHHXFVQAE-HOTGVXAUSA-N 1 1 335.448 0.427 20 30 ECEDMO CCCN(C(=O)[C@@H]1CCN(C)C1=O)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267546480 837740635 /nfs/dbraw/zinc/74/06/35/837740635.db2.gz PJJFHEHHXFVQAE-HZPDHXFCSA-N 1 1 335.448 0.427 20 30 ECEDMO CCCN(C(=O)[C@@H]1CCN(C)C1=O)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267546480 837740644 /nfs/dbraw/zinc/74/06/44/837740644.db2.gz PJJFHEHHXFVQAE-HZPDHXFCSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2c(C)noc2C)C1 ZINC001267551570 837752455 /nfs/dbraw/zinc/75/24/55/837752455.db2.gz PDPVTHJIKQSLDN-AWEZNQCLSA-N 1 1 332.404 0.483 20 30 ECEDMO CCn1cc(C[N@@H+]2CC[C@H](CCNC(=O)CSCC#N)C2)nn1 ZINC001267552255 837757148 /nfs/dbraw/zinc/75/71/48/837757148.db2.gz WRHMZFUVQWPSGM-ZDUSSCGKSA-N 1 1 336.465 0.883 20 30 ECEDMO CCn1cc(C[N@H+]2CC[C@H](CCNC(=O)CSCC#N)C2)nn1 ZINC001267552255 837757159 /nfs/dbraw/zinc/75/71/59/837757159.db2.gz WRHMZFUVQWPSGM-ZDUSSCGKSA-N 1 1 336.465 0.883 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)CCc2ccncn2)C1 ZINC001267559175 837768214 /nfs/dbraw/zinc/76/82/14/837768214.db2.gz PDECXPGEANAZET-MRXNPFEDSA-N 1 1 330.432 0.887 20 30 ECEDMO CO[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001267562774 837774853 /nfs/dbraw/zinc/77/48/53/837774853.db2.gz ZUTSPSXQCIWREN-BBRMVZONSA-N 1 1 336.436 0.269 20 30 ECEDMO CO[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001267562775 837775121 /nfs/dbraw/zinc/77/51/21/837775121.db2.gz ZUTSPSXQCIWREN-CJNGLKHVSA-N 1 1 336.436 0.269 20 30 ECEDMO CO[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001267562777 837775484 /nfs/dbraw/zinc/77/54/84/837775484.db2.gz ZUTSPSXQCIWREN-XJKSGUPXSA-N 1 1 336.436 0.269 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2ncccc2F)C1 ZINC001267564243 837779533 /nfs/dbraw/zinc/77/95/33/837779533.db2.gz OXQGXIPDYIJZLT-CQSZACIVSA-N 1 1 346.406 0.341 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001267566801 837785706 /nfs/dbraw/zinc/78/57/06/837785706.db2.gz HMCRHABTRSWYGE-LSDHHAIUSA-N 1 1 345.447 0.227 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CCNC(=O)Cc3cnc[nH]3)C2)C1=O ZINC001267566935 837785960 /nfs/dbraw/zinc/78/59/60/837785960.db2.gz KLLOWXCZDGMPEK-ZBFHGGJFSA-N 1 1 345.447 0.567 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)c2cnn(C)c2CC)CC1 ZINC001267573292 837814678 /nfs/dbraw/zinc/81/46/78/837814678.db2.gz NTRIADDEARRZQZ-UHFFFAOYSA-N 1 1 331.464 0.695 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cnoc2CC)C1 ZINC001267576705 837831496 /nfs/dbraw/zinc/83/14/96/837831496.db2.gz WNDAXBKDPUMQFU-ZIAGYGMSSA-N 1 1 346.431 0.817 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2snnc2C)C1 ZINC001267576904 837832211 /nfs/dbraw/zinc/83/22/11/837832211.db2.gz BASWVLQXOVQHPO-STQMWFEESA-N 1 1 349.460 0.378 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cnoc2CC)C1 ZINC001267576704 837832471 /nfs/dbraw/zinc/83/24/71/837832471.db2.gz WNDAXBKDPUMQFU-UONOGXRCSA-N 1 1 346.431 0.817 20 30 ECEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCNC(=O)CC(N)=O ZINC001266263883 835575905 /nfs/dbraw/zinc/57/59/05/835575905.db2.gz AIVHVGBYMUDPIO-UHFFFAOYSA-N 1 1 341.333 0.980 20 30 ECEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCNC(=O)CC(N)=O ZINC001266263883 835575916 /nfs/dbraw/zinc/57/59/16/835575916.db2.gz AIVHVGBYMUDPIO-UHFFFAOYSA-N 1 1 341.333 0.980 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)[C@H]2CCN(C)C(=O)C2)CC1 ZINC001266266765 835581404 /nfs/dbraw/zinc/58/14/04/835581404.db2.gz BZNCAOSXTHTYSZ-INIZCTEOSA-N 1 1 334.464 0.002 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)c2ccc3nnnn3c2)CC1 ZINC001266267295 835585160 /nfs/dbraw/zinc/58/51/60/835585160.db2.gz XIBQFXSJDYDPST-UHFFFAOYSA-N 1 1 329.408 0.048 20 30 ECEDMO C=C(C)CN1CC[NH+](CCCNC(=O)Cn2ccc(C)cc2=O)CC1 ZINC001266273906 835596057 /nfs/dbraw/zinc/59/60/57/835596057.db2.gz SZZTXBBJLLFDHE-UHFFFAOYSA-N 1 1 346.475 0.857 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)[C@]2(C)CCN(C(C)=O)C2)CC1 ZINC001266275802 835600096 /nfs/dbraw/zinc/60/00/96/835600096.db2.gz MYQOGPLENWPBBL-GOSISDBHSA-N 1 1 336.480 0.555 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)c2cccc(OC)n2)CC1 ZINC001266276130 835600945 /nfs/dbraw/zinc/60/09/45/835600945.db2.gz ZKTWAUANPHHSON-UHFFFAOYSA-N 1 1 330.432 0.851 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCC[C@@H]1C ZINC001266276858 835601787 /nfs/dbraw/zinc/60/17/87/835601787.db2.gz DMMPIWOVCCYYBI-UONOGXRCSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCC[C@@H]1C ZINC001266276858 835601793 /nfs/dbraw/zinc/60/17/93/835601793.db2.gz DMMPIWOVCCYYBI-UONOGXRCSA-N 1 1 338.452 0.873 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2cncc(OC)c2C)CC1 ZINC001266288293 835631158 /nfs/dbraw/zinc/63/11/58/835631158.db2.gz VRDBCVKEZOMTJT-UHFFFAOYSA-N 1 1 330.432 0.769 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2nnn(C(C)C)c2C)CC1 ZINC001266294556 835640523 /nfs/dbraw/zinc/64/05/23/835640523.db2.gz CDQXQYXSNMNOMU-UHFFFAOYSA-N 1 1 332.452 0.538 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2[nH]nc(C(F)(F)F)c2C)CC1 ZINC001266294737 835640924 /nfs/dbraw/zinc/64/09/24/835640924.db2.gz JNNVJVDTAWWFBH-UHFFFAOYSA-N 1 1 343.353 0.718 20 30 ECEDMO C[N@H+](CCNC(=O)CCN1C(=O)CCC1=O)Cc1ccc(C#N)s1 ZINC001266295473 835642461 /nfs/dbraw/zinc/64/24/61/835642461.db2.gz LZVWEDXSVNFOBQ-UHFFFAOYSA-N 1 1 348.428 0.707 20 30 ECEDMO C[N@@H+](CCNC(=O)CCN1C(=O)CCC1=O)Cc1ccc(C#N)s1 ZINC001266295473 835642464 /nfs/dbraw/zinc/64/24/64/835642464.db2.gz LZVWEDXSVNFOBQ-UHFFFAOYSA-N 1 1 348.428 0.707 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCCN2CCN(CC(=C)C)CC2)CC1 ZINC001266296597 835644530 /nfs/dbraw/zinc/64/45/30/835644530.db2.gz BFWXLJHTQRWXOZ-UHFFFAOYSA-N 1 1 332.492 0.642 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC001266297357 835646827 /nfs/dbraw/zinc/64/68/27/835646827.db2.gz NSEOYTMGJQQKFM-UHFFFAOYSA-N 1 1 338.415 0.248 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1c(C)nn(C)c1C ZINC001266304060 835667119 /nfs/dbraw/zinc/66/71/19/835667119.db2.gz GMEPIGFVQSGQGM-AWEZNQCLSA-N 1 1 335.452 0.318 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1c(C)nn(C)c1C ZINC001266304060 835667126 /nfs/dbraw/zinc/66/71/26/835667126.db2.gz GMEPIGFVQSGQGM-AWEZNQCLSA-N 1 1 335.452 0.318 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC001266316520 835685058 /nfs/dbraw/zinc/68/50/58/835685058.db2.gz FDKNTLDVFSQSCH-SUMWQHHRSA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC001266316520 835685061 /nfs/dbraw/zinc/68/50/61/835685061.db2.gz FDKNTLDVFSQSCH-SUMWQHHRSA-N 1 1 325.453 0.809 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccnc(OC(C)C)c1 ZINC001266346726 835737074 /nfs/dbraw/zinc/73/70/74/835737074.db2.gz AOGBHGBZEWQNLC-CQSZACIVSA-N 1 1 346.431 0.668 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccnc(OC(C)C)c1 ZINC001266346726 835737084 /nfs/dbraw/zinc/73/70/84/835737084.db2.gz AOGBHGBZEWQNLC-CQSZACIVSA-N 1 1 346.431 0.668 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CC2CCCC2)C1 ZINC001266347846 835741065 /nfs/dbraw/zinc/74/10/65/835741065.db2.gz SJYYDZBYKORGKA-MRXNPFEDSA-N 1 1 335.448 0.523 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CC2CCCC2)C1 ZINC001266347846 835741071 /nfs/dbraw/zinc/74/10/71/835741071.db2.gz SJYYDZBYKORGKA-MRXNPFEDSA-N 1 1 335.448 0.523 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[N@@H+](C)CC(=O)NC(=O)NCC ZINC001266354684 835758083 /nfs/dbraw/zinc/75/80/83/835758083.db2.gz JZFXXXCLMXTYBD-UHFFFAOYSA-N 1 1 344.415 0.104 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[N@H+](C)CC(=O)NC(=O)NCC ZINC001266354684 835758089 /nfs/dbraw/zinc/75/80/89/835758089.db2.gz JZFXXXCLMXTYBD-UHFFFAOYSA-N 1 1 344.415 0.104 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001266355705 835759488 /nfs/dbraw/zinc/75/94/88/835759488.db2.gz MRZHVRXPZHPCPP-NEPJUHHUSA-N 1 1 329.391 0.996 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001266355705 835759493 /nfs/dbraw/zinc/75/94/93/835759493.db2.gz MRZHVRXPZHPCPP-NEPJUHHUSA-N 1 1 329.391 0.996 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)CC2CCOCC2)CC1 ZINC001266369299 835782529 /nfs/dbraw/zinc/78/25/29/835782529.db2.gz VLCSPHZQPOMIEE-OAHLLOKOSA-N 1 1 348.447 0.414 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001266386533 835797171 /nfs/dbraw/zinc/79/71/71/835797171.db2.gz JKMCHLOEKJTGRF-KXBFYZLASA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@H+](CC)[C@@H]1CCN(C2CCC2)C1=O ZINC001266390959 835800700 /nfs/dbraw/zinc/80/07/00/835800700.db2.gz UDMSXHNMQJSDBN-GDBMZVCRSA-N 1 1 335.448 0.616 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001266394033 835802174 /nfs/dbraw/zinc/80/21/74/835802174.db2.gz HGBYORMBTIZLCS-INIZCTEOSA-N 1 1 337.464 0.579 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001266398680 835806279 /nfs/dbraw/zinc/80/62/79/835806279.db2.gz CUXQYOLVJRCXTJ-CABCVRRESA-N 1 1 345.447 0.022 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001266398680 835806285 /nfs/dbraw/zinc/80/62/85/835806285.db2.gz CUXQYOLVJRCXTJ-CABCVRRESA-N 1 1 345.447 0.022 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001266425678 835829077 /nfs/dbraw/zinc/82/90/77/835829077.db2.gz YNMBWZGRVOEGIV-CYBMUJFWSA-N 1 1 347.463 0.888 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001266425678 835829086 /nfs/dbraw/zinc/82/90/86/835829086.db2.gz YNMBWZGRVOEGIV-CYBMUJFWSA-N 1 1 347.463 0.888 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(F)F)C1 ZINC001266448026 835851345 /nfs/dbraw/zinc/85/13/45/835851345.db2.gz FLOFNHITJKLACH-OLZOCXBDSA-N 1 1 329.391 0.950 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cscn2)C1 ZINC001266452935 835856880 /nfs/dbraw/zinc/85/68/80/835856880.db2.gz UHIINVSTGHSEFW-CYBMUJFWSA-N 1 1 334.445 0.677 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001266455517 835857770 /nfs/dbraw/zinc/85/77/70/835857770.db2.gz GMANSRBFNQAIMS-AVGNSLFASA-N 1 1 342.390 0.698 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)CCn2ccnn2)C1=O ZINC001266458610 835860550 /nfs/dbraw/zinc/86/05/50/835860550.db2.gz YMTDCRDDKNQQMY-CABCVRRESA-N 1 1 346.435 0.036 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)c2c(C)ncn2C)C1 ZINC001266458727 835860620 /nfs/dbraw/zinc/86/06/20/835860620.db2.gz ASHFPIIPNHUBIM-OAHLLOKOSA-N 1 1 345.447 0.262 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN(C(=O)c2ccsn2)C1 ZINC001266459002 835862073 /nfs/dbraw/zinc/86/20/73/835862073.db2.gz HZHYICRXSOXVDX-GFCCVEGCSA-N 1 1 335.433 0.567 20 30 ECEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001266459008 835862140 /nfs/dbraw/zinc/86/21/40/835862140.db2.gz IBNGIIOCYCYSLK-AWEZNQCLSA-N 1 1 331.482 0.672 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N(C)C(C)C ZINC001266467696 835868471 /nfs/dbraw/zinc/86/84/71/835868471.db2.gz BCRPEMHILKQTIH-IRXDYDNUSA-N 1 1 348.491 0.531 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N(C)C(C)C ZINC001266467696 835868475 /nfs/dbraw/zinc/86/84/75/835868475.db2.gz BCRPEMHILKQTIH-IRXDYDNUSA-N 1 1 348.491 0.531 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]cn1 ZINC001266467618 835868718 /nfs/dbraw/zinc/86/87/18/835868718.db2.gz ABTNJWIJENIIGS-DZGCQCFKSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]cn1 ZINC001266467618 835868724 /nfs/dbraw/zinc/86/87/24/835868724.db2.gz ABTNJWIJENIIGS-DZGCQCFKSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001266468432 835870050 /nfs/dbraw/zinc/87/00/50/835870050.db2.gz QGBGYHJWMVZIDN-HNNXBMFYSA-N 1 1 339.399 0.458 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001266468432 835870051 /nfs/dbraw/zinc/87/00/51/835870051.db2.gz QGBGYHJWMVZIDN-HNNXBMFYSA-N 1 1 339.399 0.458 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001266468904 835871561 /nfs/dbraw/zinc/87/15/61/835871561.db2.gz CEFJKOKGUAFCDM-AWEZNQCLSA-N 1 1 343.493 0.508 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1coc(OCC)n1 ZINC001266471214 835875052 /nfs/dbraw/zinc/87/50/52/835875052.db2.gz KTZDWSAXHXMZAI-CHWSQXEVSA-N 1 1 348.403 0.405 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(OCC)n1 ZINC001266471214 835875057 /nfs/dbraw/zinc/87/50/57/835875057.db2.gz KTZDWSAXHXMZAI-CHWSQXEVSA-N 1 1 348.403 0.405 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001266473040 835875834 /nfs/dbraw/zinc/87/58/34/835875834.db2.gz VGBRRBDNKJXTOY-HNNXBMFYSA-N 1 1 348.447 0.512 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)Oc1ccccn1 ZINC001266488563 835887732 /nfs/dbraw/zinc/88/77/32/835887732.db2.gz LGZSUVPUDMJZHA-GJZGRUSLSA-N 1 1 346.431 0.732 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Oc1ccccn1 ZINC001266488563 835887737 /nfs/dbraw/zinc/88/77/37/835887737.db2.gz LGZSUVPUDMJZHA-GJZGRUSLSA-N 1 1 346.431 0.732 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)NCC=C)nc1 ZINC001266489093 835889524 /nfs/dbraw/zinc/88/95/24/835889524.db2.gz WHFFRTOFCZWXNV-ZBFHGGJFSA-N 1 1 340.427 0.948 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)NCC=C)nc1 ZINC001266489093 835889529 /nfs/dbraw/zinc/88/95/29/835889529.db2.gz WHFFRTOFCZWXNV-ZBFHGGJFSA-N 1 1 340.427 0.948 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)n[nH]c1C ZINC001266495594 835895549 /nfs/dbraw/zinc/89/55/49/835895549.db2.gz PKZQXRSUASSTQT-HUUCEWRRSA-N 1 1 347.463 0.840 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)n[nH]c1C ZINC001266495594 835895568 /nfs/dbraw/zinc/89/55/68/835895568.db2.gz PKZQXRSUASSTQT-HUUCEWRRSA-N 1 1 347.463 0.840 20 30 ECEDMO C=CCCOCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC001266497673 835897838 /nfs/dbraw/zinc/89/78/38/835897838.db2.gz KKTPYGMJXQEZIR-HNNXBMFYSA-N 1 1 339.436 0.019 20 30 ECEDMO C=CCCOCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC001266497673 835897844 /nfs/dbraw/zinc/89/78/44/835897844.db2.gz KKTPYGMJXQEZIR-HNNXBMFYSA-N 1 1 339.436 0.019 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2ccncc2C)C1 ZINC001266514237 835924578 /nfs/dbraw/zinc/92/45/78/835924578.db2.gz OAJGHQLTQZCQEA-HZPDHXFCSA-N 1 1 342.443 0.509 20 30 ECEDMO C[C@@H](C[N@H+]1CC[C@@H](CNC(=O)C#CC2CC2)C1)CS(C)(=O)=O ZINC001266514536 835926364 /nfs/dbraw/zinc/92/63/64/835926364.db2.gz RXIYZIDURUVQOY-ZFWWWQNUSA-N 1 1 326.462 0.519 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(CC(C)C)CCNC2=O)C1 ZINC001266517146 835928451 /nfs/dbraw/zinc/92/84/51/835928451.db2.gz HIACXJWXVUKSJD-LPHOPBHVSA-N 1 1 349.475 0.627 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cccc3c[nH]nc32)C1 ZINC001266525485 835940270 /nfs/dbraw/zinc/94/02/70/835940270.db2.gz IXNKUSUIXLFQBK-GFCCVEGCSA-N 1 1 340.387 0.254 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccc3c[nH]nc32)C1 ZINC001266525485 835940275 /nfs/dbraw/zinc/94/02/75/835940275.db2.gz IXNKUSUIXLFQBK-GFCCVEGCSA-N 1 1 340.387 0.254 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N(CC)CC)C2)c1 ZINC001266532834 835950062 /nfs/dbraw/zinc/95/00/62/835950062.db2.gz AAGZHXJMBOSEFV-MRXNPFEDSA-N 1 1 342.443 0.983 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001266533567 835951564 /nfs/dbraw/zinc/95/15/64/835951564.db2.gz MIOPGSGYFLBDEA-RBSFLKMASA-N 1 1 329.400 0.571 20 30 ECEDMO CCCN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](CC#CCOC)C2)CC1=O ZINC001266537109 835955888 /nfs/dbraw/zinc/95/58/88/835955888.db2.gz FIEURLCWOTWRKS-HZPDHXFCSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)c2ccco2)C1 ZINC001266544879 835966215 /nfs/dbraw/zinc/96/62/15/835966215.db2.gz KKNMXTRHDBUSEY-HUUCEWRRSA-N 1 1 331.416 0.961 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)C1 ZINC001266548954 835972160 /nfs/dbraw/zinc/97/21/60/835972160.db2.gz KSJILRZNHNZRSC-HNNXBMFYSA-N 1 1 337.464 0.627 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)CNC(=O)Cc2ccccc2)C1 ZINC001266549588 835973360 /nfs/dbraw/zinc/97/33/60/835973360.db2.gz YOPQUTNIQVHAGV-KRWDZBQOSA-N 1 1 327.428 0.807 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)c1cncnc1C ZINC001266556791 835983717 /nfs/dbraw/zinc/98/37/17/835983717.db2.gz YQFAYPBFQHNDET-CQSZACIVSA-N 1 1 331.420 0.365 20 30 ECEDMO CCC[N@@H+](CC#CCOC)CCNC(=O)c1cc(=O)c(OC)co1 ZINC001266566919 835995648 /nfs/dbraw/zinc/99/56/48/835995648.db2.gz PCCQZVWEQMOOAQ-UHFFFAOYSA-N 1 1 336.388 0.740 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)c1cc(=O)c(OC)co1 ZINC001266566919 835995650 /nfs/dbraw/zinc/99/56/50/835995650.db2.gz PCCQZVWEQMOOAQ-UHFFFAOYSA-N 1 1 336.388 0.740 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH]c1=O)CC(=O)NCC#N ZINC001266566975 835996002 /nfs/dbraw/zinc/99/60/02/835996002.db2.gz RCNBZXNJCNOIDL-UHFFFAOYSA-N 1 1 347.419 0.486 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH]c1=O)CC(=O)NCC#N ZINC001266566975 835996011 /nfs/dbraw/zinc/99/60/11/835996011.db2.gz RCNBZXNJCNOIDL-UHFFFAOYSA-N 1 1 347.419 0.486 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1occ2c1CCC2)C1CC1 ZINC001266604421 836038083 /nfs/dbraw/zinc/03/80/83/836038083.db2.gz DKPSYAPXIOCMMH-UHFFFAOYSA-N 1 1 330.388 0.602 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1occ2c1CCC2)C1CC1 ZINC001266604421 836038096 /nfs/dbraw/zinc/03/80/96/836038096.db2.gz DKPSYAPXIOCMMH-UHFFFAOYSA-N 1 1 330.388 0.602 20 30 ECEDMO COc1ccc(C(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)cc1C ZINC001266614005 836047748 /nfs/dbraw/zinc/04/77/48/836047748.db2.gz OCISSSMAQASBIQ-UHFFFAOYSA-N 1 1 344.415 0.838 20 30 ECEDMO COc1ccc(C(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)cc1C ZINC001266614005 836047757 /nfs/dbraw/zinc/04/77/57/836047757.db2.gz OCISSSMAQASBIQ-UHFFFAOYSA-N 1 1 344.415 0.838 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC001266639693 836076228 /nfs/dbraw/zinc/07/62/28/836076228.db2.gz GJXAVVSQTXERBZ-JOCQHMNTSA-N 1 1 339.399 0.092 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2cc[nH]n2)C1 ZINC001266658923 836095398 /nfs/dbraw/zinc/09/53/98/836095398.db2.gz KAHMJNQPNQGQAY-GDBMZVCRSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccn[nH]2)C1 ZINC001266658923 836095404 /nfs/dbraw/zinc/09/54/04/836095404.db2.gz KAHMJNQPNQGQAY-GDBMZVCRSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccn[nH]2)C1 ZINC001266658923 836095411 /nfs/dbraw/zinc/09/54/11/836095411.db2.gz KAHMJNQPNQGQAY-GDBMZVCRSA-N 1 1 345.447 0.567 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cncn2C)C1 ZINC001266659097 836096430 /nfs/dbraw/zinc/09/64/30/836096430.db2.gz MEZWQZHWTZGEMJ-HZPDHXFCSA-N 1 1 330.432 0.996 20 30 ECEDMO Cc1nc[nH]c1C(=O)N1CCC[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266661995 836099570 /nfs/dbraw/zinc/09/95/70/836099570.db2.gz BSOCOQCLSSUCGD-ZIAGYGMSSA-N 1 1 344.419 0.284 20 30 ECEDMO Cc1nc[nH]c1C(=O)N1CCC[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266661995 836099583 /nfs/dbraw/zinc/09/95/83/836099583.db2.gz BSOCOQCLSSUCGD-ZIAGYGMSSA-N 1 1 344.419 0.284 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nc[nH]n2)C1 ZINC001266664125 836101776 /nfs/dbraw/zinc/10/17/76/836101776.db2.gz VNHMQGUKHGVVQB-CHWSQXEVSA-N 1 1 332.408 0.033 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3cnc(C#N)cn3)CCO2)C1 ZINC001104349947 836191080 /nfs/dbraw/zinc/19/10/80/836191080.db2.gz NHZDKVLIMCKCLB-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1n[nH]cc1C(F)(F)F ZINC001266722596 836200585 /nfs/dbraw/zinc/20/05/85/836200585.db2.gz VSPPOTAYSWIBMG-SECBINFHSA-N 1 1 345.325 0.228 20 30 ECEDMO CCCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266740719 836222531 /nfs/dbraw/zinc/22/25/31/836222531.db2.gz XNJFUHHBVNREMD-ZDUSSCGKSA-N 1 1 326.466 0.598 20 30 ECEDMO N#CCSCC(=O)NC[C@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001266739791 836223483 /nfs/dbraw/zinc/22/34/83/836223483.db2.gz DMRHRXGINKEGOJ-ZIAGYGMSSA-N 1 1 348.476 0.850 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001266749313 836236824 /nfs/dbraw/zinc/23/68/24/836236824.db2.gz GZSUBYYXTUGITL-CQSZACIVSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001266749313 836236840 /nfs/dbraw/zinc/23/68/40/836236840.db2.gz GZSUBYYXTUGITL-CQSZACIVSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C2(CCOC)CCC2)C1 ZINC001266767166 836273573 /nfs/dbraw/zinc/27/35/73/836273573.db2.gz LFILYIBJCPZGND-INIZCTEOSA-N 1 1 349.475 0.771 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001266767776 836274244 /nfs/dbraw/zinc/27/42/44/836274244.db2.gz RKKWBIVDLIIPDH-AWEZNQCLSA-N 1 1 342.443 0.695 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CCc1ccnn1C ZINC001266843025 836369452 /nfs/dbraw/zinc/36/94/52/836369452.db2.gz ZFLBIXGSCMVABI-DOTOQJQBSA-N 1 1 332.448 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(=O)NCC(F)F ZINC001266891211 836440667 /nfs/dbraw/zinc/44/06/67/836440667.db2.gz OPRTUDSHHROCLX-QWHCGFSZSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(F)(F)C1 ZINC001266901262 836456108 /nfs/dbraw/zinc/45/61/08/836456108.db2.gz VAQQCNRWMNAOIF-BJJPWKGXSA-N 1 1 339.386 0.606 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[C@H](OC)C1 ZINC001266901287 836456284 /nfs/dbraw/zinc/45/62/84/836456284.db2.gz ZGOUNERHHHSPJF-XHWCBRGXSA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[C@H](OC)C1 ZINC001266901287 836456290 /nfs/dbraw/zinc/45/62/90/836456290.db2.gz ZGOUNERHHHSPJF-XHWCBRGXSA-N 1 1 349.475 0.930 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC001266949651 836514716 /nfs/dbraw/zinc/51/47/16/836514716.db2.gz JIXCERRDIJAIJM-GJZGRUSLSA-N 1 1 346.479 0.725 20 30 ECEDMO C[C@H](CNC(=O)CN1C(=O)CCC1=O)[NH2+]Cc1cc(F)ccc1C#N ZINC001266991557 836574331 /nfs/dbraw/zinc/57/43/31/836574331.db2.gz MTLVYYCDMUOLAW-LLVKDONJSA-N 1 1 346.362 0.441 20 30 ECEDMO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(CCC)[nH]n2)C1 ZINC001267002182 836595400 /nfs/dbraw/zinc/59/54/00/836595400.db2.gz GDUVAGAYLMNCMC-CQSZACIVSA-N 1 1 345.447 0.553 20 30 ECEDMO CN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001408553331 836623065 /nfs/dbraw/zinc/62/30/65/836623065.db2.gz BHVJCZNUAJBIOK-GDBMZVCRSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CCCCOC)C1 ZINC001267099882 836769654 /nfs/dbraw/zinc/76/96/54/836769654.db2.gz FCGFKHUCKNJZNI-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NCC#N)C2)cn1 ZINC001267103220 836778174 /nfs/dbraw/zinc/77/81/74/836778174.db2.gz VHJCPKUUDFYVSC-AWEZNQCLSA-N 1 1 332.408 0.079 20 30 ECEDMO CCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)cn1 ZINC001267103220 836778183 /nfs/dbraw/zinc/77/81/83/836778183.db2.gz VHJCPKUUDFYVSC-AWEZNQCLSA-N 1 1 332.408 0.079 20 30 ECEDMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001267104404 836780884 /nfs/dbraw/zinc/78/08/84/836780884.db2.gz BGTORYVZLDZSBN-QWHCGFSZSA-N 1 1 336.436 0.542 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2ccn(C)n2)C1 ZINC001267105990 836786367 /nfs/dbraw/zinc/78/63/67/836786367.db2.gz NQARGUFPWQSUPB-GDBMZVCRSA-N 1 1 345.447 0.023 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]([N@@H+](C)CCNC(=O)C2CC2)C1 ZINC001267106628 836786694 /nfs/dbraw/zinc/78/66/94/836786694.db2.gz SLPKPFAYODIHKR-CRAIPNDOSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001267108401 836790548 /nfs/dbraw/zinc/79/05/48/836790548.db2.gz OPQUMCYCHMZHOR-GJZGRUSLSA-N 1 1 335.452 0.859 20 30 ECEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267107972 836790778 /nfs/dbraw/zinc/79/07/78/836790778.db2.gz KPSWZMQDKVCKCL-AWEZNQCLSA-N 1 1 334.420 0.838 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)cnn2C)C1 ZINC001267108349 836790936 /nfs/dbraw/zinc/79/09/36/836790936.db2.gz MZNWTPWSAQXYGL-LSDHHAIUSA-N 1 1 347.463 0.956 20 30 ECEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001267108661 836792520 /nfs/dbraw/zinc/79/25/20/836792520.db2.gz RQSIJZOFJUCGKQ-OAHLLOKOSA-N 1 1 328.416 0.669 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(CC)nn2)C1 ZINC001267113126 836801328 /nfs/dbraw/zinc/80/13/28/836801328.db2.gz DSKGTKLOLPBGSF-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CN1CCOCC1 ZINC001267165924 836888239 /nfs/dbraw/zinc/88/82/39/836888239.db2.gz RHKSLUOVXWYEPB-QGZVFWFLSA-N 1 1 337.464 0.329 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C(C)C)n(C)n1 ZINC001267194604 836959224 /nfs/dbraw/zinc/95/92/24/836959224.db2.gz VCZVOVMVXYHYQS-CYBMUJFWSA-N 1 1 333.436 0.343 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C(C)C)n(C)n1 ZINC001267194604 836959232 /nfs/dbraw/zinc/95/92/32/836959232.db2.gz VCZVOVMVXYHYQS-CYBMUJFWSA-N 1 1 333.436 0.343 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1cccc2c1NC(=O)CO2 ZINC001267198838 836966677 /nfs/dbraw/zinc/96/66/77/836966677.db2.gz AESXQGCXFUJJCD-UHFFFAOYSA-N 1 1 331.372 0.329 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001267204757 836983232 /nfs/dbraw/zinc/98/32/32/836983232.db2.gz KZROCXUGBVWLIO-DOMZBBRYSA-N 1 1 347.463 0.706 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001267204757 836983239 /nfs/dbraw/zinc/98/32/39/836983239.db2.gz KZROCXUGBVWLIO-DOMZBBRYSA-N 1 1 347.463 0.706 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC001267218016 837008849 /nfs/dbraw/zinc/00/88/49/837008849.db2.gz VTASDBLBBKNXTH-MCIONIFRSA-N 1 1 332.466 0.306 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC001267218016 837008860 /nfs/dbraw/zinc/00/88/60/837008860.db2.gz VTASDBLBBKNXTH-MCIONIFRSA-N 1 1 332.466 0.306 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc2cccnn21 ZINC001267220855 837014039 /nfs/dbraw/zinc/01/40/39/837014039.db2.gz JNDHHMGWVWIFKC-ZDUSSCGKSA-N 1 1 327.388 0.134 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2cccnn21 ZINC001267220855 837014050 /nfs/dbraw/zinc/01/40/50/837014050.db2.gz JNDHHMGWVWIFKC-ZDUSSCGKSA-N 1 1 327.388 0.134 20 30 ECEDMO C[N@@H+](CCNC(=O)c1nc2ncccn2n1)Cc1cccc(C#N)c1 ZINC001267223704 837018720 /nfs/dbraw/zinc/01/87/20/837018720.db2.gz PTPFGUSWYLXPGK-UHFFFAOYSA-N 1 1 335.371 0.858 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cncnc2CC)C1=O ZINC001267230247 837034107 /nfs/dbraw/zinc/03/41/07/837034107.db2.gz JPIRAZMJVBAQDD-OAHLLOKOSA-N 1 1 331.420 0.488 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cncnc2CC)C1=O ZINC001267230247 837034122 /nfs/dbraw/zinc/03/41/22/837034122.db2.gz JPIRAZMJVBAQDD-OAHLLOKOSA-N 1 1 331.420 0.488 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001267234127 837039357 /nfs/dbraw/zinc/03/93/57/837039357.db2.gz FZCYXZADJNEWIR-HNNXBMFYSA-N 1 1 327.384 0.139 20 30 ECEDMO C[N@H+](CC#Cc1ccccc1)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001267234127 837039371 /nfs/dbraw/zinc/03/93/71/837039371.db2.gz FZCYXZADJNEWIR-HNNXBMFYSA-N 1 1 327.384 0.139 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@@H](C)C#N)CC(=O)N1CCO[C@@H](C)C1 ZINC001267239336 837045707 /nfs/dbraw/zinc/04/57/07/837045707.db2.gz FASRJUASMQHRPP-GJZGRUSLSA-N 1 1 338.452 0.610 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC[N@H+](CC)[C@@H]2CCNC2=O)cc1 ZINC001267252080 837070073 /nfs/dbraw/zinc/07/00/73/837070073.db2.gz ALMKTTXVNIQULP-MRXNPFEDSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc(CC)c[nH]c1=O ZINC001267254579 837076980 /nfs/dbraw/zinc/07/69/80/837076980.db2.gz VZJSRTRJBGTYBH-UHFFFAOYSA-N 1 1 332.404 0.151 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc(CC)c[nH]c1=O ZINC001267254579 837076995 /nfs/dbraw/zinc/07/69/95/837076995.db2.gz VZJSRTRJBGTYBH-UHFFFAOYSA-N 1 1 332.404 0.151 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001267262316 837094024 /nfs/dbraw/zinc/09/40/24/837094024.db2.gz ZNUMKYIMEKUPNN-HIFRSBDPSA-N 1 1 332.404 0.205 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001267262316 837094036 /nfs/dbraw/zinc/09/40/36/837094036.db2.gz ZNUMKYIMEKUPNN-HIFRSBDPSA-N 1 1 332.404 0.205 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001267266834 837103774 /nfs/dbraw/zinc/10/37/74/837103774.db2.gz JARNFBFDCQVAGT-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001267266834 837103780 /nfs/dbraw/zinc/10/37/80/837103780.db2.gz JARNFBFDCQVAGT-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001267266836 837103917 /nfs/dbraw/zinc/10/39/17/837103917.db2.gz JARNFBFDCQVAGT-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001267266836 837103924 /nfs/dbraw/zinc/10/39/24/837103924.db2.gz JARNFBFDCQVAGT-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1CCN(C)S(C)(=O)=O ZINC001267272145 837113735 /nfs/dbraw/zinc/11/37/35/837113735.db2.gz JIPMTOFPAYSVPF-ZDUSSCGKSA-N 1 1 331.482 0.671 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CCN(C)S(C)(=O)=O ZINC001267272145 837113738 /nfs/dbraw/zinc/11/37/38/837113738.db2.gz JIPMTOFPAYSVPF-ZDUSSCGKSA-N 1 1 331.482 0.671 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1(CCOC)CCC1 ZINC001267281702 837130059 /nfs/dbraw/zinc/13/00/59/837130059.db2.gz PGLDPLSHWWFLMB-OAHLLOKOSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(CCOC)CCC1 ZINC001267281702 837130069 /nfs/dbraw/zinc/13/00/69/837130069.db2.gz PGLDPLSHWWFLMB-OAHLLOKOSA-N 1 1 335.448 0.523 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1C[C@H](C)OC ZINC001267283316 837131541 /nfs/dbraw/zinc/13/15/41/837131541.db2.gz LSEJRLVDBPJTMD-UONOGXRCSA-N 1 1 340.468 0.866 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)C#CC(C)C)C1 ZINC001267293379 837146933 /nfs/dbraw/zinc/14/69/33/837146933.db2.gz RNJCYPRLQURSCT-AWEZNQCLSA-N 1 1 334.420 0.096 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C#CC(C)C)C1 ZINC001267293379 837146939 /nfs/dbraw/zinc/14/69/39/837146939.db2.gz RNJCYPRLQURSCT-AWEZNQCLSA-N 1 1 334.420 0.096 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001267293409 837147533 /nfs/dbraw/zinc/14/75/33/837147533.db2.gz RYHGDGYGYVUSJF-CVEARBPZSA-N 1 1 349.475 0.627 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001267293671 837148177 /nfs/dbraw/zinc/14/81/77/837148177.db2.gz WTMJCOAUSFERBB-UONOGXRCSA-N 1 1 345.447 0.572 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001267297068 837156574 /nfs/dbraw/zinc/15/65/74/837156574.db2.gz AGEVZXMVCZOTGG-BHYGNILZSA-N 1 1 349.475 0.789 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ncc(C)cc2OC)C1 ZINC001267296981 837156601 /nfs/dbraw/zinc/15/66/01/837156601.db2.gz YSECLCPMDKPOMM-CQSZACIVSA-N 1 1 344.415 0.200 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)CN2CCCCS2(=O)=O)C1 ZINC001267297291 837158346 /nfs/dbraw/zinc/15/83/46/837158346.db2.gz GNLYLABUJIWPLG-CQSZACIVSA-N 1 1 329.466 0.426 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2coc(OC)n2)C1 ZINC001267298103 837160270 /nfs/dbraw/zinc/16/02/70/837160270.db2.gz JMXMRHDWRLJSGP-NWDGAFQWSA-N 1 1 336.392 0.426 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2onc3c2CCCC3)C1 ZINC001267299675 837163008 /nfs/dbraw/zinc/16/30/08/837163008.db2.gz YOHUKFNYARNDEJ-ZDUSSCGKSA-N 1 1 346.431 0.907 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001267303941 837171234 /nfs/dbraw/zinc/17/12/34/837171234.db2.gz UDTWVWPHZWMDCG-LSDHHAIUSA-N 1 1 348.451 0.266 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267303825 837171589 /nfs/dbraw/zinc/17/15/89/837171589.db2.gz RZCSVGHWJWIGAD-MRXNPFEDSA-N 1 1 336.480 0.459 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(COC)cc2)C1 ZINC001267304874 837172279 /nfs/dbraw/zinc/17/22/79/837172279.db2.gz FEGLFFMGRFEOEN-INIZCTEOSA-N 1 1 343.427 0.634 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC(C)C)C2)cn1 ZINC001267307095 837178391 /nfs/dbraw/zinc/17/83/91/837178391.db2.gz LOXRMILTXMURAI-OAHLLOKOSA-N 1 1 342.443 0.887 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2C)C1 ZINC001267307269 837179759 /nfs/dbraw/zinc/17/97/59/837179759.db2.gz PILKEAZSLJRFOC-CQSZACIVSA-N 1 1 331.391 0.935 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnc(CC)s2)C1 ZINC001267308902 837182941 /nfs/dbraw/zinc/18/29/41/837182941.db2.gz HOGCTCDUIZHIHS-STQMWFEESA-N 1 1 348.472 0.895 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CCc2nccs2)C1 ZINC001267309810 837185226 /nfs/dbraw/zinc/18/52/26/837185226.db2.gz OJHYYEDUGWOXEI-ZIAGYGMSSA-N 1 1 348.472 0.652 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1ncccc1C)C1CC1 ZINC001267323124 837200147 /nfs/dbraw/zinc/20/01/47/837200147.db2.gz HIIZDIKJMZKNBH-CQSZACIVSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1ncccc1C)C1CC1 ZINC001267323124 837200155 /nfs/dbraw/zinc/20/01/55/837200155.db2.gz HIIZDIKJMZKNBH-CQSZACIVSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1coc(C(C)(C)C)n1)C1CC1 ZINC001267326518 837202900 /nfs/dbraw/zinc/20/29/00/837202900.db2.gz XILUNQIUAOFHMG-UHFFFAOYSA-N 1 1 346.431 0.916 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1coc(C(C)(C)C)n1)C1CC1 ZINC001267326518 837202908 /nfs/dbraw/zinc/20/29/08/837202908.db2.gz XILUNQIUAOFHMG-UHFFFAOYSA-N 1 1 346.431 0.916 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(F)ccc1F)C1CC1 ZINC001267327672 837206705 /nfs/dbraw/zinc/20/67/05/837206705.db2.gz WEPIQIIMPKLSIY-UHFFFAOYSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cc(F)ccc1F)C1CC1 ZINC001267327672 837206715 /nfs/dbraw/zinc/20/67/15/837206715.db2.gz WEPIQIIMPKLSIY-UHFFFAOYSA-N 1 1 335.354 0.908 20 30 ECEDMO CC(C)(C)c1cc(C(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)[nH]n1 ZINC001267327981 837208815 /nfs/dbraw/zinc/20/88/15/837208815.db2.gz HADBIDLEQWHLNZ-UHFFFAOYSA-N 1 1 346.435 0.541 20 30 ECEDMO CC(C)(C)c1cc(C(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)[nH]n1 ZINC001267327981 837208821 /nfs/dbraw/zinc/20/88/21/837208821.db2.gz HADBIDLEQWHLNZ-UHFFFAOYSA-N 1 1 346.435 0.541 20 30 ECEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC001279654714 837219150 /nfs/dbraw/zinc/21/91/50/837219150.db2.gz XNMMONMJGCSYGN-UHFFFAOYSA-N 1 1 348.403 0.122 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1ccc[nH]1)c1ccccc1 ZINC001267351107 837238123 /nfs/dbraw/zinc/23/81/23/837238123.db2.gz PHCWZSHECQTHMO-HNNXBMFYSA-N 1 1 325.372 0.715 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001267578366 837836670 /nfs/dbraw/zinc/83/66/70/837836670.db2.gz ZJWABEUGYIUTAZ-NSHDSACASA-N 1 1 346.378 0.434 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccncn2)C1 ZINC001267583803 837853079 /nfs/dbraw/zinc/85/30/79/837853079.db2.gz SGSWDLUGMKBWIX-UONOGXRCSA-N 1 1 331.420 0.609 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001267584756 837858040 /nfs/dbraw/zinc/85/80/40/837858040.db2.gz HXGYQRBXCVEKKC-IAGOWNOFSA-N 1 1 344.459 0.876 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnc3n2CCC3)C1 ZINC001267584867 837858769 /nfs/dbraw/zinc/85/87/69/837858769.db2.gz KCPUADXNLQBDDQ-HNNXBMFYSA-N 1 1 330.432 0.873 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)COCc2ncc(C)o2)C1 ZINC001267586327 837863143 /nfs/dbraw/zinc/86/31/43/837863143.db2.gz PALWUQSJUKFJQQ-INIZCTEOSA-N 1 1 349.431 0.930 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCC(F)F)C1 ZINC001267586784 837866029 /nfs/dbraw/zinc/86/60/29/837866029.db2.gz ZLQUNTQWVADJDQ-STQMWFEESA-N 1 1 329.391 0.950 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)N(C)C)C2)c1 ZINC001267589313 837874184 /nfs/dbraw/zinc/87/41/84/837874184.db2.gz MRWXOPCGKQETOJ-HNNXBMFYSA-N 1 1 328.416 0.545 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(=O)NC)C1 ZINC001267590628 837878617 /nfs/dbraw/zinc/87/86/17/837878617.db2.gz VAGAOBDNROPEGE-CYBMUJFWSA-N 1 1 338.452 0.825 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2cccc2)C1 ZINC001267593896 837892790 /nfs/dbraw/zinc/89/27/90/837892790.db2.gz VCISAEZKDZLJDP-IRXDYDNUSA-N 1 1 344.459 0.969 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)COC(C)C)CC1 ZINC001267598070 837904076 /nfs/dbraw/zinc/90/40/76/837904076.db2.gz RSEBXRVCADRXOE-UHFFFAOYSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@H](OCC)[C@@H]2CCOC2)CC1 ZINC001267608758 837959531 /nfs/dbraw/zinc/95/95/31/837959531.db2.gz BXTYAVKGTHIPRM-IAGOWNOFSA-N 1 1 337.464 0.137 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001267615855 838000241 /nfs/dbraw/zinc/00/02/41/838000241.db2.gz MBTGNKPLDYUEIU-JKSUJKDBSA-N 1 1 345.447 0.461 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001267615855 838000251 /nfs/dbraw/zinc/00/02/51/838000251.db2.gz MBTGNKPLDYUEIU-JKSUJKDBSA-N 1 1 345.447 0.461 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001267615971 838003388 /nfs/dbraw/zinc/00/33/88/838003388.db2.gz YNIXGGRMIDTJID-JKSUJKDBSA-N 1 1 330.432 0.676 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001267615971 838003395 /nfs/dbraw/zinc/00/33/95/838003395.db2.gz YNIXGGRMIDTJID-JKSUJKDBSA-N 1 1 330.432 0.676 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@H]2O)C1 ZINC001025542262 838034693 /nfs/dbraw/zinc/03/46/93/838034693.db2.gz QUTYLOFZLPPSAR-CLCXKQKWSA-N 1 1 347.459 0.517 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2n[nH]c3c2C[C@H](C)CC3)CC1 ZINC001267617734 838045662 /nfs/dbraw/zinc/04/56/62/838045662.db2.gz HGMOSFWJERHYGL-OAHLLOKOSA-N 1 1 343.475 0.857 20 30 ECEDMO C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001267621996 838061646 /nfs/dbraw/zinc/06/16/46/838061646.db2.gz GVDNAIXYJOOURJ-HUUCEWRRSA-N 1 1 333.436 0.624 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001267628191 838081180 /nfs/dbraw/zinc/08/11/80/838081180.db2.gz VPHOPJUKDHJBMY-AAEUAGOBSA-N 1 1 333.392 0.067 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001267628191 838081190 /nfs/dbraw/zinc/08/11/90/838081190.db2.gz VPHOPJUKDHJBMY-AAEUAGOBSA-N 1 1 333.392 0.067 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001267629740 838086946 /nfs/dbraw/zinc/08/69/46/838086946.db2.gz IIIONVSLJWAETP-SUMWQHHRSA-N 1 1 336.436 0.721 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267629740 838086956 /nfs/dbraw/zinc/08/69/56/838086956.db2.gz IIIONVSLJWAETP-SUMWQHHRSA-N 1 1 336.436 0.721 20 30 ECEDMO CCN(CCNC(=O)c1ccc(C#N)[nH]1)C(=O)CC[NH+]1CCOCC1 ZINC001408732947 838167556 /nfs/dbraw/zinc/16/75/56/838167556.db2.gz SXHOTDKVHYUNHZ-UHFFFAOYSA-N 1 1 347.419 0.187 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC001267657712 838172608 /nfs/dbraw/zinc/17/26/08/838172608.db2.gz CSGGDEXDSQBVHH-KRWDZBQOSA-N 1 1 327.428 0.759 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001267665893 838190517 /nfs/dbraw/zinc/19/05/17/838190517.db2.gz NHFWHJMTVRRJCI-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001267680102 838238320 /nfs/dbraw/zinc/23/83/20/838238320.db2.gz GRZKDBFMKQXWGV-QAPCUYQASA-N 1 1 335.448 0.515 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C2)CC1 ZINC001267683053 838244248 /nfs/dbraw/zinc/24/42/48/838244248.db2.gz IWAITNPHDWGLHP-ZDUSSCGKSA-N 1 1 336.436 0.708 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C2(c3cccnc3)CC2)C1 ZINC001267689869 838257170 /nfs/dbraw/zinc/25/71/70/838257170.db2.gz RDFGKRDCLWJRKQ-AWEZNQCLSA-N 1 1 342.443 0.852 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001267689522 838259352 /nfs/dbraw/zinc/25/93/52/838259352.db2.gz LUVWUWWVZCXKRT-LBPRGKRZSA-N 1 1 341.415 0.915 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)N(C)C)C2)nn1 ZINC001267689451 838260037 /nfs/dbraw/zinc/26/00/37/838260037.db2.gz DXFPWYJEUGBGER-AWEZNQCLSA-N 1 1 348.451 0.336 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)CNC(=O)C2CCCCC2)C1 ZINC001267698567 838292238 /nfs/dbraw/zinc/29/22/38/838292238.db2.gz LOZXJQJSVAPJFN-UHFFFAOYSA-N 1 1 335.448 0.381 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)C2(C(=O)NC)CCC2)C1 ZINC001267703141 838301757 /nfs/dbraw/zinc/30/17/57/838301757.db2.gz MHNSYBYZLZXTNP-OAHLLOKOSA-N 1 1 337.464 0.886 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001267724685 838388120 /nfs/dbraw/zinc/38/81/20/838388120.db2.gz JCIUXRTUEBRCNB-QGZVFWFLSA-N 1 1 337.464 0.137 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001267726213 838398882 /nfs/dbraw/zinc/39/88/82/838398882.db2.gz WJUBKAXLAPWXTR-JYJNAYRXSA-N 1 1 348.491 0.578 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC001267726213 838398887 /nfs/dbraw/zinc/39/88/87/838398887.db2.gz WJUBKAXLAPWXTR-JYJNAYRXSA-N 1 1 348.491 0.578 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)C(C)(C)COC)CC1 ZINC001267733237 838426063 /nfs/dbraw/zinc/42/60/63/838426063.db2.gz HZQWUGHKANTEBZ-UHFFFAOYSA-N 1 1 337.464 0.579 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2cncn2C)C1 ZINC001267734137 838427039 /nfs/dbraw/zinc/42/70/39/838427039.db2.gz VFIQZBBMFAKAAF-KGLIPLIRSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCc2cncn2C)C1 ZINC001267734137 838427042 /nfs/dbraw/zinc/42/70/42/838427042.db2.gz VFIQZBBMFAKAAF-KGLIPLIRSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001267734062 838427766 /nfs/dbraw/zinc/42/77/66/838427766.db2.gz RQYFSVRACSMABM-LBPRGKRZSA-N 1 1 327.388 0.669 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267746230 838451847 /nfs/dbraw/zinc/45/18/47/838451847.db2.gz FDRPQYJVKOJWIC-CYBMUJFWSA-N 1 1 343.391 0.064 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnc2)C1 ZINC001267746207 838452050 /nfs/dbraw/zinc/45/20/50/838452050.db2.gz DACLKGFIBVZHMQ-MRXNPFEDSA-N 1 1 347.463 0.888 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnc2)C1 ZINC001267746207 838452054 /nfs/dbraw/zinc/45/20/54/838452054.db2.gz DACLKGFIBVZHMQ-MRXNPFEDSA-N 1 1 347.463 0.888 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001267749423 838466517 /nfs/dbraw/zinc/46/65/17/838466517.db2.gz ISIAREBDSJKUQO-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001267749423 838466523 /nfs/dbraw/zinc/46/65/23/838466523.db2.gz ISIAREBDSJKUQO-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC001267750132 838468682 /nfs/dbraw/zinc/46/86/82/838468682.db2.gz TYYUNMXJXQMZNL-MRXNPFEDSA-N 1 1 349.406 0.835 20 30 ECEDMO CN(C(=O)CSCC#N)[C@H]1CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001267756909 838482520 /nfs/dbraw/zinc/48/25/20/838482520.db2.gz OXWKOWUJGIRWDA-KGLIPLIRSA-N 1 1 338.477 0.692 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cn(CCOC)nc2C)C1 ZINC001267762359 838490078 /nfs/dbraw/zinc/49/00/78/838490078.db2.gz FTNOLPHKDHLFLC-INIZCTEOSA-N 1 1 348.447 0.634 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn(CCOC)nc2C)C1 ZINC001267762359 838490082 /nfs/dbraw/zinc/49/00/82/838490082.db2.gz FTNOLPHKDHLFLC-INIZCTEOSA-N 1 1 348.447 0.634 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)COc2ccccc2)C1 ZINC001267778090 838545020 /nfs/dbraw/zinc/54/50/20/838545020.db2.gz WWJWYXPJWOPUFU-CVEARBPZSA-N 1 1 343.427 0.736 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)COc2ccccc2)C1 ZINC001267778090 838545024 /nfs/dbraw/zinc/54/50/24/838545024.db2.gz WWJWYXPJWOPUFU-CVEARBPZSA-N 1 1 343.427 0.736 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)nn2C)C1 ZINC001267781303 838555244 /nfs/dbraw/zinc/55/52/44/838555244.db2.gz FUUGCNCKQVNPEC-GJZGRUSLSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C)nn2C)C1 ZINC001267781303 838555254 /nfs/dbraw/zinc/55/52/54/838555254.db2.gz FUUGCNCKQVNPEC-GJZGRUSLSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](OCC)C2CC2)C1 ZINC001267785916 838562410 /nfs/dbraw/zinc/56/24/10/838562410.db2.gz ISDKSELBOQYAFG-DOTOQJQBSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](OCC)C2CC2)C1 ZINC001267785916 838562413 /nfs/dbraw/zinc/56/24/13/838562413.db2.gz ISDKSELBOQYAFG-DOTOQJQBSA-N 1 1 335.448 0.474 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001267787114 838563692 /nfs/dbraw/zinc/56/36/92/838563692.db2.gz VNWIIADKQPIRLY-HNNXBMFYSA-N 1 1 333.432 0.862 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001267786826 838566123 /nfs/dbraw/zinc/56/61/23/838566123.db2.gz QHRYHLAFVRIQGW-GDBMZVCRSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267962409 838875150 /nfs/dbraw/zinc/87/51/50/838875150.db2.gz MCURPNBDIIZTES-ZIAGYGMSSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC2(CC[N@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001267973685 838906331 /nfs/dbraw/zinc/90/63/31/838906331.db2.gz XMFQOYIYFFWKLA-HOTGVXAUSA-N 1 1 347.459 0.570 20 30 ECEDMO CCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001408885611 838988041 /nfs/dbraw/zinc/98/80/41/838988041.db2.gz UMLKHKNPMWSGEZ-HUUCEWRRSA-N 1 1 338.452 0.610 20 30 ECEDMO CCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001408885611 838988042 /nfs/dbraw/zinc/98/80/42/838988042.db2.gz UMLKHKNPMWSGEZ-HUUCEWRRSA-N 1 1 338.452 0.610 20 30 ECEDMO C[C@@H](C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)n1cnc(C#N)n1 ZINC000428547597 210268207 /nfs/dbraw/zinc/26/82/07/210268207.db2.gz MMECAWDHBXTAFP-SWLSCSKDSA-N 1 1 340.387 0.916 20 30 ECEDMO Cc1cccc(N2CCC(NC(=O)Cn3cnc(C#N)n3)CC2)[nH+]1 ZINC000426728988 210162984 /nfs/dbraw/zinc/16/29/84/210162984.db2.gz ZBFIZTNATFVQHA-UHFFFAOYSA-N 1 1 325.376 0.638 20 30 ECEDMO C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000264867984 201212858 /nfs/dbraw/zinc/21/28/58/201212858.db2.gz RSMSZPBUGUJCQB-HNNXBMFYSA-N 1 1 346.431 0.552 20 30 ECEDMO C#CC[N@@H+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000267287571 201223622 /nfs/dbraw/zinc/22/36/22/201223622.db2.gz JKMXDESGQAYXRD-UHFFFAOYSA-N 1 1 349.456 0.475 20 30 ECEDMO C#CC[N@H+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000267287571 201223625 /nfs/dbraw/zinc/22/36/25/201223625.db2.gz JKMXDESGQAYXRD-UHFFFAOYSA-N 1 1 349.456 0.475 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1 ZINC000264168719 201209665 /nfs/dbraw/zinc/20/96/65/201209665.db2.gz JIUBZNQLXNCYLS-UHFFFAOYSA-N 1 1 327.388 0.453 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000278326348 201310508 /nfs/dbraw/zinc/31/05/08/201310508.db2.gz NWPBLFIFAWGMKK-HZPDHXFCSA-N 1 1 326.437 0.533 20 30 ECEDMO C#CCSCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000141861251 203244589 /nfs/dbraw/zinc/24/45/89/203244589.db2.gz YFMYDUPZQUYXBK-AWEZNQCLSA-N 1 1 338.477 0.301 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+](CCO)CCN1CCOCC1 ZINC000444400122 211076132 /nfs/dbraw/zinc/07/61/32/211076132.db2.gz QVYZLFGNQLEMPK-UHFFFAOYSA-N 1 1 349.431 0.572 20 30 ECEDMO COCC(COC)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000413480164 208332206 /nfs/dbraw/zinc/33/22/06/208332206.db2.gz RADFONQPKXFEIY-UHFFFAOYSA-N 1 1 349.391 0.832 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[N@H+](C)C1 ZINC000413914368 208376806 /nfs/dbraw/zinc/37/68/06/208376806.db2.gz GOIZHWAJFXSBOL-DZGCQCFKSA-N 1 1 345.399 0.889 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000413914368 208376812 /nfs/dbraw/zinc/37/68/12/208376812.db2.gz GOIZHWAJFXSBOL-DZGCQCFKSA-N 1 1 345.399 0.889 20 30 ECEDMO CNC(=O)NC(=O)CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000330401545 254635913 /nfs/dbraw/zinc/63/59/13/254635913.db2.gz FKLHVMLWRPMJKM-UHFFFAOYSA-N 1 1 333.367 0.869 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(OCCOC(C)C)CC1 ZINC000451955624 254806457 /nfs/dbraw/zinc/80/64/57/254806457.db2.gz MBSBAVVDHDTGCA-UHFFFAOYSA-N 1 1 327.425 0.904 20 30 ECEDMO CC(C)(C)OC(=O)NCCC(N)=[NH+]OCC(=O)NC1(C#N)CCC1 ZINC000495667151 255030769 /nfs/dbraw/zinc/03/07/69/255030769.db2.gz DNCTYNYPBRJVNG-UHFFFAOYSA-N 1 1 339.396 0.962 20 30 ECEDMO C=CC[N@@H+](CCOC)CC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000496590219 255112762 /nfs/dbraw/zinc/11/27/62/255112762.db2.gz IOUJBRUPVLULTB-UHFFFAOYSA-N 1 1 327.425 0.858 20 30 ECEDMO C=CC[N@H+](CCOC)CC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000496590219 255112763 /nfs/dbraw/zinc/11/27/63/255112763.db2.gz IOUJBRUPVLULTB-UHFFFAOYSA-N 1 1 327.425 0.858 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000278592174 135638211 /nfs/dbraw/zinc/63/82/11/135638211.db2.gz KLKGNKHSHLPFFS-KRWDZBQOSA-N 1 1 333.436 0.432 20 30 ECEDMO N#Cc1cnn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000295364658 296795414 /nfs/dbraw/zinc/79/54/14/296795414.db2.gz OUJPFBBKBDNKEP-UHFFFAOYSA-N 1 1 331.420 0.906 20 30 ECEDMO CS(=O)(=O)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528513733 269802106 /nfs/dbraw/zinc/80/21/06/269802106.db2.gz VNAZGMNWJCCNLC-DZGCQCFKSA-N 1 1 338.429 0.664 20 30 ECEDMO CS(=O)(=O)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528513733 269802108 /nfs/dbraw/zinc/80/21/08/269802108.db2.gz VNAZGMNWJCCNLC-DZGCQCFKSA-N 1 1 338.429 0.664 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(C#N)nc2)CC1 ZINC000115026884 263145842 /nfs/dbraw/zinc/14/58/42/263145842.db2.gz IOJMPENDTGLVGD-HNNXBMFYSA-N 1 1 327.388 0.332 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1cccc(C#N)c1)C1=CC[N@@H+](C)CC1 ZINC000283528201 264126078 /nfs/dbraw/zinc/12/60/78/264126078.db2.gz CZEWTVRCMIDXAT-ZDUSSCGKSA-N 1 1 326.400 0.941 20 30 ECEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[NH+](C)CC1 ZINC000298325552 265241433 /nfs/dbraw/zinc/24/14/33/265241433.db2.gz UWMAIMIXXDIWFJ-UHFFFAOYSA-N 1 1 326.404 0.924 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cc2noc(C)c2C#N)CC1 ZINC000353867317 266056663 /nfs/dbraw/zinc/05/66/63/266056663.db2.gz DKYGAPGRXAVEEA-UHFFFAOYSA-N 1 1 347.419 0.504 20 30 ECEDMO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1O ZINC000341012010 266380006 /nfs/dbraw/zinc/38/00/06/266380006.db2.gz OITJYJXOQMMORC-HIFRSBDPSA-N 1 1 347.419 0.206 20 30 ECEDMO C[C@@](O)(CNC(=O)COc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000359837993 267114236 /nfs/dbraw/zinc/11/42/36/267114236.db2.gz CWQDYYQRZGKTQJ-QGZVFWFLSA-N 1 1 333.388 0.136 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000352324639 267150182 /nfs/dbraw/zinc/15/01/82/267150182.db2.gz XGTPREMFLSEIPF-CQSZACIVSA-N 1 1 343.431 0.639 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000372709403 267163967 /nfs/dbraw/zinc/16/39/67/267163967.db2.gz ATGYFXHAGJVXEN-GFCCVEGCSA-N 1 1 348.378 0.551 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296321661 267311358 /nfs/dbraw/zinc/31/13/58/267311358.db2.gz UCZHRGSDEBGJDS-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296321661 267311359 /nfs/dbraw/zinc/31/13/59/267311359.db2.gz UCZHRGSDEBGJDS-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000362930755 267381760 /nfs/dbraw/zinc/38/17/60/267381760.db2.gz GKNHXPHFQSRZSV-LSDHHAIUSA-N 1 1 342.399 0.785 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000340917592 267382943 /nfs/dbraw/zinc/38/29/43/267382943.db2.gz USTGYAZTLHRSOG-OAHLLOKOSA-N 1 1 342.399 0.785 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000340917592 267382945 /nfs/dbraw/zinc/38/29/45/267382945.db2.gz USTGYAZTLHRSOG-OAHLLOKOSA-N 1 1 342.399 0.785 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](CCCOC(=O)NC(N)=O)CC2)nc1 ZINC000271498645 268116653 /nfs/dbraw/zinc/11/66/53/268116653.db2.gz KFKBPMRUDWUJIA-UHFFFAOYSA-N 1 1 332.364 0.270 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3OCC(=O)N[C@@H]3C2)cc1 ZINC000370705451 268138117 /nfs/dbraw/zinc/13/81/17/268138117.db2.gz GXZCSWDWSAYWCB-CABCVRRESA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1C(F)(F)F ZINC000528054911 268256910 /nfs/dbraw/zinc/25/69/10/268256910.db2.gz ACQNGFZDMFNJGJ-JTQLQIEISA-N 1 1 349.334 0.844 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000528369659 268296468 /nfs/dbraw/zinc/29/64/68/268296468.db2.gz XFDNJUUZUFMWIC-INIZCTEOSA-N 1 1 339.399 0.910 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366814427 268307269 /nfs/dbraw/zinc/30/72/69/268307269.db2.gz WZIPINYYBUYJDG-NEPJUHHUSA-N 1 1 334.401 0.538 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 ZINC000299314442 275379487 /nfs/dbraw/zinc/37/94/87/275379487.db2.gz LDDYLFHPYVOWOD-NEPJUHHUSA-N 1 1 331.338 0.611 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000330526936 276008175 /nfs/dbraw/zinc/00/81/75/276008175.db2.gz MJXNUGWANFDFNK-DJIMGWMZSA-N 1 1 348.451 0.548 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000330526936 276008177 /nfs/dbraw/zinc/00/81/77/276008177.db2.gz MJXNUGWANFDFNK-DJIMGWMZSA-N 1 1 348.451 0.548 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)CC1 ZINC000333175694 276011221 /nfs/dbraw/zinc/01/12/21/276011221.db2.gz QVCKFMZLACLIQZ-MLHJIOFPSA-N 1 1 348.491 0.772 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041720785 782050612 /nfs/dbraw/zinc/05/06/12/782050612.db2.gz VUSWAVSZZWQWQY-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000330722903 437600173 /nfs/dbraw/zinc/60/01/73/437600173.db2.gz YRICTCRFOXRUCQ-HUUCEWRRSA-N 1 1 336.436 0.318 20 30 ECEDMO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)C2)CC1 ZINC000329460907 279366345 /nfs/dbraw/zinc/36/63/45/279366345.db2.gz SEPKGTZCXMPIIU-HUUCEWRRSA-N 1 1 347.467 0.219 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N1CCO[C@@]2(CCCOC2)C1 ZINC000329240431 295377712 /nfs/dbraw/zinc/37/77/12/295377712.db2.gz QXWOCHVWLFKQQM-HNNXBMFYSA-N 1 1 329.466 0.831 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000072834543 436060105 /nfs/dbraw/zinc/06/01/05/436060105.db2.gz VZMPALSMPJBZIZ-HNNXBMFYSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000072834543 436060108 /nfs/dbraw/zinc/06/01/08/436060108.db2.gz VZMPALSMPJBZIZ-HNNXBMFYSA-N 1 1 329.404 0.323 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)N(C)CCC#N)CC2)CCO1 ZINC000075791263 436176104 /nfs/dbraw/zinc/17/61/04/436176104.db2.gz UEMKXJSZNCRPGK-CYBMUJFWSA-N 1 1 330.454 0.262 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)N(C)CCC#N)CC2)CCO1 ZINC000075791263 436176109 /nfs/dbraw/zinc/17/61/09/436176109.db2.gz UEMKXJSZNCRPGK-CYBMUJFWSA-N 1 1 330.454 0.262 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000081645882 436352473 /nfs/dbraw/zinc/35/24/73/436352473.db2.gz IRGZBGNFQBNAKD-UHFFFAOYSA-N 1 1 329.400 0.625 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000081645882 436352477 /nfs/dbraw/zinc/35/24/77/436352477.db2.gz IRGZBGNFQBNAKD-UHFFFAOYSA-N 1 1 329.400 0.625 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000081012469 436333126 /nfs/dbraw/zinc/33/31/26/436333126.db2.gz VKZLCIKBIRRCCA-CQSZACIVSA-N 1 1 329.404 0.275 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2cccc(C#N)c2)CC1 ZINC000046040197 436383740 /nfs/dbraw/zinc/38/37/40/436383740.db2.gz HTOWRXJVFDURRC-UHFFFAOYSA-N 1 1 329.404 0.522 20 30 ECEDMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CSCC#N)cc2)CC1 ZINC000046921995 436404717 /nfs/dbraw/zinc/40/47/17/436404717.db2.gz UIKRPMXLHVDAQA-UHFFFAOYSA-N 1 1 346.456 0.947 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(C#N)cc2)CC1 ZINC000047975110 436435035 /nfs/dbraw/zinc/43/50/35/436435035.db2.gz HVZQPTSIXVQVHC-MRXNPFEDSA-N 1 1 326.400 0.937 20 30 ECEDMO CC(=O)[C@@H](NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)C(C)C ZINC000089943790 436421341 /nfs/dbraw/zinc/42/13/41/436421341.db2.gz JHWKJZGTJBEJLG-HNNXBMFYSA-N 1 1 334.424 0.458 20 30 ECEDMO CC(=O)[C@@H](NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)C(C)C ZINC000089943790 436421343 /nfs/dbraw/zinc/42/13/43/436421343.db2.gz JHWKJZGTJBEJLG-HNNXBMFYSA-N 1 1 334.424 0.458 20 30 ECEDMO C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943103 436422304 /nfs/dbraw/zinc/42/23/04/436422304.db2.gz FMCPXYVTSPHYFM-JTQLQIEISA-N 1 1 328.380 0.545 20 30 ECEDMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000052589021 436510983 /nfs/dbraw/zinc/51/09/83/436510983.db2.gz VNKHSKTVDKTRMP-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO CNC(=O)NC(=O)[C@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054454791 436553298 /nfs/dbraw/zinc/55/32/98/436553298.db2.gz BBDGEAOMJVPESO-AWEZNQCLSA-N 1 1 343.431 0.910 20 30 ECEDMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054454791 436553303 /nfs/dbraw/zinc/55/33/03/436553303.db2.gz BBDGEAOMJVPESO-AWEZNQCLSA-N 1 1 343.431 0.910 20 30 ECEDMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054454791 436553305 /nfs/dbraw/zinc/55/33/05/436553305.db2.gz BBDGEAOMJVPESO-AWEZNQCLSA-N 1 1 343.431 0.910 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC(C#N)CC1 ZINC000105223256 436571087 /nfs/dbraw/zinc/57/10/87/436571087.db2.gz FUZQYXHFTMOFEF-HNNXBMFYSA-N 1 1 335.452 0.874 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000105567571 436577083 /nfs/dbraw/zinc/57/70/83/436577083.db2.gz UVVDPIFPGIRNRO-CYBMUJFWSA-N 1 1 335.429 0.280 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000110105881 436626784 /nfs/dbraw/zinc/62/67/84/436626784.db2.gz PZUFTGBAMDQYCX-UHFFFAOYSA-N 1 1 340.427 0.948 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000111687426 436631577 /nfs/dbraw/zinc/63/15/77/436631577.db2.gz IYVGHEJGZABLRK-OAHLLOKOSA-N 1 1 332.404 0.579 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000114558244 436642780 /nfs/dbraw/zinc/64/27/80/436642780.db2.gz NWBFGIMESFZYLI-GOSISDBHSA-N 1 1 341.459 0.470 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000546005590 302242432 /nfs/dbraw/zinc/24/24/32/302242432.db2.gz RCLDACHUQYWOFG-UHFFFAOYSA-N 1 1 348.428 0.670 20 30 ECEDMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000116888413 436653388 /nfs/dbraw/zinc/65/33/88/436653388.db2.gz CCSRUUCXMNYBJY-ZDUSSCGKSA-N 1 1 336.417 0.510 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000120893537 436701972 /nfs/dbraw/zinc/70/19/72/436701972.db2.gz USSMSQSYPUGAPQ-CYBMUJFWSA-N 1 1 330.388 0.581 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000139749480 436666480 /nfs/dbraw/zinc/66/64/80/436666480.db2.gz TURRRFXFJZMWFQ-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1C#N ZINC000124419214 436750338 /nfs/dbraw/zinc/75/03/38/436750338.db2.gz IBINRKDXOWWRTQ-IUODEOHRSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC000124419214 436750340 /nfs/dbraw/zinc/75/03/40/436750340.db2.gz IBINRKDXOWWRTQ-IUODEOHRSA-N 1 1 330.388 0.641 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000273448220 436755021 /nfs/dbraw/zinc/75/50/21/436755021.db2.gz XLRVHAOPSCTBKZ-CVEARBPZSA-N 1 1 347.463 0.828 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000245563209 436764186 /nfs/dbraw/zinc/76/41/86/436764186.db2.gz PORDEGQANLPFMV-FUHWJXTLSA-N 1 1 334.464 0.791 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000245712206 436765929 /nfs/dbraw/zinc/76/59/29/436765929.db2.gz PGGDXNHFVMBIBP-DLBZAZTESA-N 1 1 331.416 0.978 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000245712206 436765932 /nfs/dbraw/zinc/76/59/32/436765932.db2.gz PGGDXNHFVMBIBP-DLBZAZTESA-N 1 1 331.416 0.978 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000248741829 436809271 /nfs/dbraw/zinc/80/92/71/436809271.db2.gz ATRRDGQCLRHZHA-GXTWGEPZSA-N 1 1 336.436 0.625 20 30 ECEDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000156129576 436809639 /nfs/dbraw/zinc/80/96/39/436809639.db2.gz YNFNUPSQRDEJPU-CQSZACIVSA-N 1 1 336.417 0.510 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000245942514 436769720 /nfs/dbraw/zinc/76/97/20/436769720.db2.gz AYYMXWRDNYYMKQ-ROUUACIJSA-N 1 1 347.507 0.849 20 30 ECEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000246831026 436786107 /nfs/dbraw/zinc/78/61/07/436786107.db2.gz RQEQMIMHPFWYEL-INIZCTEOSA-N 1 1 341.415 0.179 20 30 ECEDMO CN(CCC#N)c1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000246831026 436786110 /nfs/dbraw/zinc/78/61/10/436786110.db2.gz RQEQMIMHPFWYEL-INIZCTEOSA-N 1 1 341.415 0.179 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@@H](C#N)C2)CC1=O ZINC000247609183 436796233 /nfs/dbraw/zinc/79/62/33/436796233.db2.gz MCNNYKWQESLZQX-ZNMIVQPWSA-N 1 1 334.420 0.070 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000293263958 436860552 /nfs/dbraw/zinc/86/05/52/436860552.db2.gz FEFAKAONUSVWBG-UHFFFAOYSA-N 1 1 344.419 0.520 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000293910467 436918040 /nfs/dbraw/zinc/91/80/40/436918040.db2.gz FZCDHGMHZNWTDF-GOSISDBHSA-N 1 1 329.444 0.959 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 ZINC000293911784 436918069 /nfs/dbraw/zinc/91/80/69/436918069.db2.gz WZHHXQHEAUJDBP-UHFFFAOYSA-N 1 1 339.417 0.028 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(C)nn(C)c2c1 ZINC000293473911 436880540 /nfs/dbraw/zinc/88/05/40/436880540.db2.gz VCAWQVISRDHLBH-UHFFFAOYSA-N 1 1 341.415 0.892 20 30 ECEDMO CC[NH+]=C(NCc1cn[nH]c1C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261748713 436887011 /nfs/dbraw/zinc/88/70/11/436887011.db2.gz LNVXRHAVQXVHNZ-HNNXBMFYSA-N 1 1 331.424 0.991 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161278404 436887998 /nfs/dbraw/zinc/88/79/98/436887998.db2.gz SZGCDQQFWFYXIU-STQMWFEESA-N 1 1 334.424 0.878 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161278404 436888002 /nfs/dbraw/zinc/88/80/02/436888002.db2.gz SZGCDQQFWFYXIU-STQMWFEESA-N 1 1 334.424 0.878 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN(C)CCN1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261934257 436897828 /nfs/dbraw/zinc/89/78/28/436897828.db2.gz CCOUAROKFGMFEF-HOTGVXAUSA-N 1 1 346.479 0.356 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCC)[C@H](CC(=O)NCCC)C(N)=O)C1=O ZINC000281414647 436967933 /nfs/dbraw/zinc/96/79/33/436967933.db2.gz RKJPIAUTYHPYFR-UONOGXRCSA-N 1 1 338.452 0.256 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCC)[C@H](CC(=O)NCCC)C(N)=O)C1=O ZINC000281414647 436967935 /nfs/dbraw/zinc/96/79/35/436967935.db2.gz RKJPIAUTYHPYFR-UONOGXRCSA-N 1 1 338.452 0.256 20 30 ECEDMO C[NH+]=C(NCc1cn[nH]c1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262523590 436938154 /nfs/dbraw/zinc/93/81/54/436938154.db2.gz FTYJMCIVZORFLZ-AWEZNQCLSA-N 1 1 334.424 0.117 20 30 ECEDMO CNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000170874123 436958850 /nfs/dbraw/zinc/95/88/50/436958850.db2.gz VZRRZUSJXDGTOK-OAHLLOKOSA-N 1 1 340.383 0.648 20 30 ECEDMO COc1cc(/C=C/C(=O)N2CC[NH+](CCO)CC2)ccc1OCC#N ZINC000298074777 437025337 /nfs/dbraw/zinc/02/53/37/437025337.db2.gz DLMBCGBAXNVHIN-HWKANZROSA-N 1 1 345.399 0.747 20 30 ECEDMO C[C@@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CC[NH+](C)CC1 ZINC000263721096 436982495 /nfs/dbraw/zinc/98/24/95/436982495.db2.gz WSRPWGMBHCFNET-HNNXBMFYSA-N 1 1 342.447 0.238 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000296113001 436983107 /nfs/dbraw/zinc/98/31/07/436983107.db2.gz BMTCKJQEKFHEEF-UHFFFAOYSA-N 1 1 345.447 0.673 20 30 ECEDMO N#Cc1ccc(OCC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000264511303 437039068 /nfs/dbraw/zinc/03/90/68/437039068.db2.gz LNQBIESGYWGCFZ-OAHLLOKOSA-N 1 1 330.388 0.393 20 30 ECEDMO CO/N=C/c1ccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264558881 437045921 /nfs/dbraw/zinc/04/59/21/437045921.db2.gz QGPQVQNNLILVLV-SLDJAQPHSA-N 1 1 332.404 0.737 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285785505 437082419 /nfs/dbraw/zinc/08/24/19/437082419.db2.gz ZCPSXFBSBHSIIM-LSDHHAIUSA-N 1 1 343.493 0.931 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285785505 437082422 /nfs/dbraw/zinc/08/24/22/437082422.db2.gz ZCPSXFBSBHSIIM-LSDHHAIUSA-N 1 1 343.493 0.931 20 30 ECEDMO C[C@@H](CO)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000305789148 437165057 /nfs/dbraw/zinc/16/50/57/437165057.db2.gz STWMOQBWAKEOIJ-UONOGXRCSA-N 1 1 336.461 0.770 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000265374743 437114750 /nfs/dbraw/zinc/11/47/50/437114750.db2.gz PIRMPMNJVHCPES-JKSUJKDBSA-N 1 1 335.429 0.146 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000286675850 437117583 /nfs/dbraw/zinc/11/75/83/437117583.db2.gz FNLTVDVIZODJCH-UHFFFAOYSA-N 1 1 332.379 0.933 20 30 ECEDMO CC[C@](C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(N)=O ZINC000177133188 437172059 /nfs/dbraw/zinc/17/20/59/437172059.db2.gz LIMCSDMXMROEFU-KRWDZBQOSA-N 1 1 340.387 0.926 20 30 ECEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000177910461 437201140 /nfs/dbraw/zinc/20/11/40/437201140.db2.gz GLLYHMJHKYVGRE-HNNXBMFYSA-N 1 1 344.415 0.720 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(C#N)nc2)CCCO1 ZINC000277741868 437249320 /nfs/dbraw/zinc/24/93/20/437249320.db2.gz KGXFVEONHGMWAP-CYBMUJFWSA-N 1 1 338.433 0.732 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC000328688444 437252671 /nfs/dbraw/zinc/25/26/71/437252671.db2.gz ZYANACXBRCUARI-ZIAGYGMSSA-N 1 1 331.482 0.997 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000336917131 437311310 /nfs/dbraw/zinc/31/13/10/437311310.db2.gz NWVSJXSETAWTIM-CABCVRRESA-N 1 1 346.497 0.803 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)N1CC[NH+](C)CC1 ZINC000336973490 437319804 /nfs/dbraw/zinc/31/98/04/437319804.db2.gz MQWSUMPKUAZDNM-KBPBESRZSA-N 1 1 333.440 0.099 20 30 ECEDMO CCc1nn(C)c(CC)c1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000328838820 437271112 /nfs/dbraw/zinc/27/11/12/437271112.db2.gz NNCBPJNQBQAEMX-CYBMUJFWSA-N 1 1 336.484 0.794 20 30 ECEDMO CCOC(=O)C1(O)CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000266965629 437272255 /nfs/dbraw/zinc/27/22/55/437272255.db2.gz YAADSYRGASPSIU-OAHLLOKOSA-N 1 1 348.399 0.688 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328866120 437275187 /nfs/dbraw/zinc/27/51/87/437275187.db2.gz GNTKGYIVAHLSLG-OAGGEKHMSA-N 1 1 340.468 0.416 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328866122 437275559 /nfs/dbraw/zinc/27/55/59/437275559.db2.gz GNTKGYIVAHLSLG-PMPSAXMXSA-N 1 1 340.468 0.416 20 30 ECEDMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCO[C@@H](C#N)C2)CCC[N@H+]1C ZINC000329351662 437356055 /nfs/dbraw/zinc/35/60/55/437356055.db2.gz UGQXMJBZTLMJFO-OFQRWUPVSA-N 1 1 346.435 0.941 20 30 ECEDMO CN(CCC#N)C(=O)CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182565768 437356092 /nfs/dbraw/zinc/35/60/92/437356092.db2.gz WWIDHPBFABNANC-JWTNVVGKSA-N 1 1 347.507 0.991 20 30 ECEDMO CN(CCC#N)C(=O)CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182565768 437356099 /nfs/dbraw/zinc/35/60/99/437356099.db2.gz WWIDHPBFABNANC-JWTNVVGKSA-N 1 1 347.507 0.991 20 30 ECEDMO C[C@@]1(O)CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000182819597 437364563 /nfs/dbraw/zinc/36/45/63/437364563.db2.gz FFPPUJGEVGJXBQ-WMLDXEAASA-N 1 1 348.472 0.914 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337028634 437323650 /nfs/dbraw/zinc/32/36/50/437323650.db2.gz CHEBLDWECWEYIL-AWEZNQCLSA-N 1 1 330.454 0.121 20 30 ECEDMO C=CCNC(=O)CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181702516 437328104 /nfs/dbraw/zinc/32/81/04/437328104.db2.gz XZODQEKSOBKOQV-INIZCTEOSA-N 1 1 331.416 0.696 20 30 ECEDMO C=CCNC(=O)CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181702516 437328108 /nfs/dbraw/zinc/32/81/08/437328108.db2.gz XZODQEKSOBKOQV-INIZCTEOSA-N 1 1 331.416 0.696 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000337128490 437334798 /nfs/dbraw/zinc/33/47/98/437334798.db2.gz AQZGAAODJCEOAZ-OAHLLOKOSA-N 1 1 344.481 0.700 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000337146159 437335042 /nfs/dbraw/zinc/33/50/42/437335042.db2.gz FIRRFQWZQQMPDI-CYBMUJFWSA-N 1 1 332.470 0.244 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000337196953 437339281 /nfs/dbraw/zinc/33/92/81/437339281.db2.gz WRZKYHCBDXWJRG-HUUCEWRRSA-N 1 1 346.497 0.803 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC([O-])=[NH+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000329772257 437410917 /nfs/dbraw/zinc/41/09/17/437410917.db2.gz KKYNDPIDOSBVRP-CHWSQXEVSA-N 1 1 348.451 0.727 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])NC[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000329772257 437410920 /nfs/dbraw/zinc/41/09/20/437410920.db2.gz KKYNDPIDOSBVRP-CHWSQXEVSA-N 1 1 348.451 0.727 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000329772257 437410924 /nfs/dbraw/zinc/41/09/24/437410924.db2.gz KKYNDPIDOSBVRP-CHWSQXEVSA-N 1 1 348.451 0.727 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000329804056 437415234 /nfs/dbraw/zinc/41/52/34/437415234.db2.gz LTRIFKPIGJWMEP-YNEHKIRRSA-N 1 1 336.440 0.726 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000329804056 437415238 /nfs/dbraw/zinc/41/52/38/437415238.db2.gz LTRIFKPIGJWMEP-YNEHKIRRSA-N 1 1 336.440 0.726 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000329804056 437415242 /nfs/dbraw/zinc/41/52/42/437415242.db2.gz LTRIFKPIGJWMEP-YNEHKIRRSA-N 1 1 336.440 0.726 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329816906 437417508 /nfs/dbraw/zinc/41/75/08/437417508.db2.gz WKIDHPGFWUBDGL-RBSFLKMASA-N 1 1 338.452 0.706 20 30 ECEDMO C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000338803880 437419193 /nfs/dbraw/zinc/41/91/93/437419193.db2.gz BHIZILFLKMGXGN-GJZGRUSLSA-N 1 1 349.435 0.463 20 30 ECEDMO C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000338803880 437419198 /nfs/dbraw/zinc/41/91/98/437419198.db2.gz BHIZILFLKMGXGN-GJZGRUSLSA-N 1 1 349.435 0.463 20 30 ECEDMO CCC[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@@H+]1CCOC ZINC000337758916 437378923 /nfs/dbraw/zinc/37/89/23/437378923.db2.gz JAVDLJHPNYBONJ-CABCVRRESA-N 1 1 346.497 0.898 20 30 ECEDMO CCC[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@H+]1CCOC ZINC000337758916 437378926 /nfs/dbraw/zinc/37/89/26/437378926.db2.gz JAVDLJHPNYBONJ-CABCVRRESA-N 1 1 346.497 0.898 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000337946775 437384473 /nfs/dbraw/zinc/38/44/73/437384473.db2.gz PPMNIMFYKWOEGI-AWEZNQCLSA-N 1 1 345.513 0.423 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000337946775 437384478 /nfs/dbraw/zinc/38/44/78/437384478.db2.gz PPMNIMFYKWOEGI-AWEZNQCLSA-N 1 1 345.513 0.423 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183865372 437392640 /nfs/dbraw/zinc/39/26/40/437392640.db2.gz IZQXBBWWEAOWAZ-IRXDYDNUSA-N 1 1 333.432 0.989 20 30 ECEDMO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)N1CCOCC1 ZINC000329649234 437396295 /nfs/dbraw/zinc/39/62/95/437396295.db2.gz FFSCXPRPXDTSEC-ARFHVFGLSA-N 1 1 340.468 0.416 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000330214948 437469556 /nfs/dbraw/zinc/46/95/56/437469556.db2.gz GNWRAMIWHIFCRJ-ZDUSSCGKSA-N 1 1 340.472 0.078 20 30 ECEDMO NC(=O)C1(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000330225514 437470722 /nfs/dbraw/zinc/47/07/22/437470722.db2.gz OGOWCANOLXSYFT-GFCCVEGCSA-N 1 1 338.408 0.724 20 30 ECEDMO NC(=O)C1(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000330225515 437471830 /nfs/dbraw/zinc/47/18/30/437471830.db2.gz OGOWCANOLXSYFT-LBPRGKRZSA-N 1 1 338.408 0.724 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000330253433 437475185 /nfs/dbraw/zinc/47/51/85/437475185.db2.gz IWEASVRZQOMDNO-UONOGXRCSA-N 1 1 338.452 0.706 20 30 ECEDMO Nc1nsc(N2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)n1 ZINC000330281015 437479068 /nfs/dbraw/zinc/47/90/68/437479068.db2.gz TZZZMLKCZSHHFR-SNVBAGLBSA-N 1 1 348.436 0.368 20 30 ECEDMO Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)no1 ZINC000329955674 437436271 /nfs/dbraw/zinc/43/62/71/437436271.db2.gz PEKOQCZJDHHVLB-RWMBFGLXSA-N 1 1 341.387 0.578 20 30 ECEDMO Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)no1 ZINC000329955674 437436276 /nfs/dbraw/zinc/43/62/76/437436276.db2.gz PEKOQCZJDHHVLB-RWMBFGLXSA-N 1 1 341.387 0.578 20 30 ECEDMO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000329979116 437442297 /nfs/dbraw/zinc/44/22/97/437442297.db2.gz IYZSTGFARBLLSV-KKUMJFAQSA-N 1 1 339.415 0.620 20 30 ECEDMO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000329979116 437442298 /nfs/dbraw/zinc/44/22/98/437442298.db2.gz IYZSTGFARBLLSV-KKUMJFAQSA-N 1 1 339.415 0.620 20 30 ECEDMO C[C@H]1c2nncn2CCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000330049230 437448623 /nfs/dbraw/zinc/44/86/23/437448623.db2.gz JFNXQJIBAFDXHO-ZDUSSCGKSA-N 1 1 335.456 0.595 20 30 ECEDMO Cc1nccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000330101748 437454496 /nfs/dbraw/zinc/45/44/96/437454496.db2.gz FRFQAUDLFNBJDJ-CYBMUJFWSA-N 1 1 332.408 0.569 20 30 ECEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000330139860 437460396 /nfs/dbraw/zinc/46/03/96/437460396.db2.gz PDOHNYQNOANHNF-CYBMUJFWSA-N 1 1 325.457 0.089 20 30 ECEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000330139860 437460399 /nfs/dbraw/zinc/46/03/99/437460399.db2.gz PDOHNYQNOANHNF-CYBMUJFWSA-N 1 1 325.457 0.089 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000330378513 437495882 /nfs/dbraw/zinc/49/58/82/437495882.db2.gz GAPFAVXNDOEJKR-KBPBESRZSA-N 1 1 346.497 0.490 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000330378513 437495884 /nfs/dbraw/zinc/49/58/84/437495884.db2.gz GAPFAVXNDOEJKR-KBPBESRZSA-N 1 1 346.497 0.490 20 30 ECEDMO CCC[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(C)C2)CC[N@H+]1CCOC ZINC000330580944 437559227 /nfs/dbraw/zinc/55/92/27/437559227.db2.gz ULISDNKZMPIQJI-UONOGXRCSA-N 1 1 326.441 0.564 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000291092857 437559349 /nfs/dbraw/zinc/55/93/49/437559349.db2.gz IAIJRCIVOXDAHZ-CYBMUJFWSA-N 1 1 344.481 0.094 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000340151920 437585660 /nfs/dbraw/zinc/58/56/60/437585660.db2.gz ZAPSVHMCYNCMFF-INIZCTEOSA-N 1 1 344.415 0.401 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC1 ZINC000343759717 437648530 /nfs/dbraw/zinc/64/85/30/437648530.db2.gz DHUVGFQLABSFGK-ZBFHGGJFSA-N 1 1 334.464 0.306 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292082748 437655168 /nfs/dbraw/zinc/65/51/68/437655168.db2.gz DSHFYYXUTAZXCK-GXTWGEPZSA-N 1 1 343.387 0.807 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292082748 437655170 /nfs/dbraw/zinc/65/51/70/437655170.db2.gz DSHFYYXUTAZXCK-GXTWGEPZSA-N 1 1 343.387 0.807 20 30 ECEDMO C[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)CN1CC[NH+](C)CC1 ZINC000361440394 437663763 /nfs/dbraw/zinc/66/37/63/437663763.db2.gz OXVLXTZBBQKOES-RDJZCZTQSA-N 1 1 348.495 0.252 20 30 ECEDMO CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000330996597 437666899 /nfs/dbraw/zinc/66/68/99/437666899.db2.gz ORSSMPRUCIUICD-HNNXBMFYSA-N 1 1 339.484 0.527 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000355367665 437699726 /nfs/dbraw/zinc/69/97/26/437699726.db2.gz PRCZBZAXNKZJQG-UHFFFAOYSA-N 1 1 333.392 0.224 20 30 ECEDMO CC(C)N1C[C@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC000331213665 437717779 /nfs/dbraw/zinc/71/77/79/437717779.db2.gz MDMRSBJLKDHGQO-CQSZACIVSA-N 1 1 340.468 0.952 20 30 ECEDMO CC(C)N1C[C@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC000331213665 437717784 /nfs/dbraw/zinc/71/77/84/437717784.db2.gz MDMRSBJLKDHGQO-CQSZACIVSA-N 1 1 340.468 0.952 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H](CO)C2)CC1 ZINC000362303972 437729125 /nfs/dbraw/zinc/72/91/25/437729125.db2.gz DCZXLDIQKBCCJH-IRXDYDNUSA-N 1 1 336.480 0.773 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](CO)C[C@@H]2C)CC1 ZINC000344163019 437742268 /nfs/dbraw/zinc/74/22/68/437742268.db2.gz ZQGIMTYDZGNOHO-ULQDDVLXSA-N 1 1 336.480 0.772 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)N(C)C)C1 ZINC000331358037 437744176 /nfs/dbraw/zinc/74/41/76/437744176.db2.gz UQMNFEFJKKFDOM-CYBMUJFWSA-N 1 1 349.501 0.006 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000415782301 437858840 /nfs/dbraw/zinc/85/88/40/437858840.db2.gz LYKYECCVZUXPIV-MRXNPFEDSA-N 1 1 334.351 0.665 20 30 ECEDMO COCCC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000356995283 437883580 /nfs/dbraw/zinc/88/35/80/437883580.db2.gz GTPKEVTXCYCOEY-CQSZACIVSA-N 1 1 345.465 0.274 20 30 ECEDMO C=CCC1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCOCC1 ZINC000424161004 437896305 /nfs/dbraw/zinc/89/63/05/437896305.db2.gz XVJAVFZIDMOSFU-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCC1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCOCC1 ZINC000424161006 437897454 /nfs/dbraw/zinc/89/74/54/437897454.db2.gz XVJAVFZIDMOSFU-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000425441512 438025847 /nfs/dbraw/zinc/02/58/47/438025847.db2.gz IFSQQXMWOPCUNH-ZNMIVQPWSA-N 1 1 338.452 0.464 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425558897 438027822 /nfs/dbraw/zinc/02/78/22/438027822.db2.gz YGXDMRHDHHJQEN-CZUORRHYSA-N 1 1 335.452 0.919 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000342591511 438034697 /nfs/dbraw/zinc/03/46/97/438034697.db2.gz SRONWPGDZOPGEX-KSSFIOAISA-N 1 1 346.406 0.706 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000430410022 438111223 /nfs/dbraw/zinc/11/12/23/438111223.db2.gz BHLFRIXNWBJDKM-XHSDSOJGSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000430410022 438111227 /nfs/dbraw/zinc/11/12/27/438111227.db2.gz BHLFRIXNWBJDKM-XHSDSOJGSA-N 1 1 337.464 0.882 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000349358618 438148205 /nfs/dbraw/zinc/14/82/05/438148205.db2.gz XCICBBWQFVOSMW-UHFFFAOYSA-N 1 1 333.436 0.017 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000367250424 438189717 /nfs/dbraw/zinc/18/97/17/438189717.db2.gz IMFYBIWLKYAIBM-CABCVRRESA-N 1 1 343.497 0.034 20 30 ECEDMO N#CC1(CS(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCC1 ZINC000349724640 438172864 /nfs/dbraw/zinc/17/28/64/438172864.db2.gz UJRSFOTZFYFRLV-CYBMUJFWSA-N 1 1 342.465 0.187 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000375626958 438258905 /nfs/dbraw/zinc/25/89/05/438258905.db2.gz VBNLMKTUVCZVLZ-GXTWGEPZSA-N 1 1 333.392 0.489 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000375626958 438258911 /nfs/dbraw/zinc/25/89/11/438258911.db2.gz VBNLMKTUVCZVLZ-GXTWGEPZSA-N 1 1 333.392 0.489 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000376248177 438276525 /nfs/dbraw/zinc/27/65/25/438276525.db2.gz QTELBZROSYALOM-MRXNPFEDSA-N 1 1 327.494 0.832 20 30 ECEDMO COC(=O)c1cn([C@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)nn1 ZINC000368335008 438316843 /nfs/dbraw/zinc/31/68/43/438316843.db2.gz XUQCWIVCXKEQAH-ZDUSSCGKSA-N 1 1 348.407 0.464 20 30 ECEDMO Cc1ccc(NCCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[nH+]c1 ZINC000369217931 438438217 /nfs/dbraw/zinc/43/82/17/438438217.db2.gz DMLXCGMHQIIYCY-MRXNPFEDSA-N 1 1 342.447 1.574 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000369221960 438441649 /nfs/dbraw/zinc/44/16/49/438441649.db2.gz YZJWPNNAODMHQD-IAGOWNOFSA-N 1 1 349.479 0.725 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000378634008 438409159 /nfs/dbraw/zinc/40/91/59/438409159.db2.gz BHKRKNDYFMBKNE-UONOGXRCSA-N 1 1 329.466 0.713 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000437744506 438454371 /nfs/dbraw/zinc/45/43/71/438454371.db2.gz DFPGEOGTLSXJJP-KKUMJFAQSA-N 1 1 338.452 0.607 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369359607 438460137 /nfs/dbraw/zinc/46/01/37/438460137.db2.gz RVMQCAKNCWQDOM-LSDHHAIUSA-N 1 1 337.468 0.099 20 30 ECEDMO COCCC[N@H+]1CCCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000369905111 438525932 /nfs/dbraw/zinc/52/59/32/438525932.db2.gz VSVXNABFIHREDS-UHFFFAOYSA-N 1 1 335.452 0.687 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000441013222 438574674 /nfs/dbraw/zinc/57/46/74/438574674.db2.gz UBHSHTUJTWWTMI-GXTWGEPZSA-N 1 1 346.435 1.073 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000441245701 438580884 /nfs/dbraw/zinc/58/08/84/438580884.db2.gz NLZOQXIONZCPFC-GDBMZVCRSA-N 1 1 325.409 0.287 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000442366521 438606422 /nfs/dbraw/zinc/60/64/22/438606422.db2.gz CBFLRDRBISWNRW-UHFFFAOYSA-N 1 1 335.452 0.780 20 30 ECEDMO COC(=O)CN1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000370235877 438563794 /nfs/dbraw/zinc/56/37/94/438563794.db2.gz JURUOKBYWGEPIM-UHFFFAOYSA-N 1 1 344.415 0.355 20 30 ECEDMO COC(=O)CN1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000370235877 438563797 /nfs/dbraw/zinc/56/37/97/438563797.db2.gz JURUOKBYWGEPIM-UHFFFAOYSA-N 1 1 344.415 0.355 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000451997549 438624961 /nfs/dbraw/zinc/62/49/61/438624961.db2.gz SJUAPWLQBPUSPS-HUUCEWRRSA-N 1 1 345.399 0.887 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000451997549 438624964 /nfs/dbraw/zinc/62/49/64/438624964.db2.gz SJUAPWLQBPUSPS-HUUCEWRRSA-N 1 1 345.399 0.887 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CCO)Cc1cccc(OCC)c1 ZINC000452057823 438632132 /nfs/dbraw/zinc/63/21/32/438632132.db2.gz ZZCQLUPDVGWKGL-UHFFFAOYSA-N 1 1 335.404 0.891 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCO)Cc1cccc(OCC)c1 ZINC000452057823 438632137 /nfs/dbraw/zinc/63/21/37/438632137.db2.gz ZZCQLUPDVGWKGL-UHFFFAOYSA-N 1 1 335.404 0.891 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000447392608 438676725 /nfs/dbraw/zinc/67/67/25/438676725.db2.gz ILOZKJRAXYRFCF-QLFBSQMISA-N 1 1 339.436 0.283 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000447392608 438676727 /nfs/dbraw/zinc/67/67/27/438676727.db2.gz ILOZKJRAXYRFCF-QLFBSQMISA-N 1 1 339.436 0.283 20 30 ECEDMO C=CC[N@H+](C)CCN(CC)CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O ZINC000411641820 438679428 /nfs/dbraw/zinc/67/94/28/438679428.db2.gz MJSRDKHHLAWLCZ-UHFFFAOYSA-N 1 1 337.424 0.173 20 30 ECEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000448322193 438682542 /nfs/dbraw/zinc/68/25/42/438682542.db2.gz QMOAOBUMSDCPGA-CYBMUJFWSA-N 1 1 346.435 0.972 20 30 ECEDMO C=C(C)COCCNC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413386120 438692547 /nfs/dbraw/zinc/69/25/47/438692547.db2.gz UDEMBEAOCSWQNX-UHFFFAOYSA-N 1 1 329.441 0.568 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000453764618 438694234 /nfs/dbraw/zinc/69/42/34/438694234.db2.gz OYMBFCVNKJEGPT-INIZCTEOSA-N 1 1 342.399 0.785 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000453764618 438694239 /nfs/dbraw/zinc/69/42/39/438694239.db2.gz OYMBFCVNKJEGPT-INIZCTEOSA-N 1 1 342.399 0.785 20 30 ECEDMO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC12COC2 ZINC000451141357 438696202 /nfs/dbraw/zinc/69/62/02/438696202.db2.gz VOESAFRKLZBBCB-QWHCGFSZSA-N 1 1 335.404 0.449 20 30 ECEDMO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC12COC2 ZINC000451141357 438696206 /nfs/dbraw/zinc/69/62/06/438696206.db2.gz VOESAFRKLZBBCB-QWHCGFSZSA-N 1 1 335.404 0.449 20 30 ECEDMO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)N1CCN(C(=O)OCC)CC1 ZINC000495951400 438736163 /nfs/dbraw/zinc/73/61/63/438736163.db2.gz IUQOBKLJSWMDEA-AWEZNQCLSA-N 1 1 327.425 0.810 20 30 ECEDMO C=CC[N@H+](CCOC)[C@@H](C)C(=O)N1CCN(C(=O)OCC)CC1 ZINC000495951400 438736164 /nfs/dbraw/zinc/73/61/64/438736164.db2.gz IUQOBKLJSWMDEA-AWEZNQCLSA-N 1 1 327.425 0.810 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000550654629 438738023 /nfs/dbraw/zinc/73/80/23/438738023.db2.gz XRAKHSNAHMEBHB-MRXNPFEDSA-N 1 1 335.496 0.705 20 30 ECEDMO C[N@@H+](C[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1CC1 ZINC000496920498 438753003 /nfs/dbraw/zinc/75/30/03/438753003.db2.gz MFBUHJWOQPEMCA-LSDHHAIUSA-N 1 1 338.452 0.886 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000451678509 438707994 /nfs/dbraw/zinc/70/79/94/438707994.db2.gz ILLMHDCNEQUUOJ-ZACQAIPSSA-N 1 1 339.480 0.783 20 30 ECEDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@H]1C ZINC000588124938 438820022 /nfs/dbraw/zinc/82/00/22/438820022.db2.gz QEGLJPKEVPQQLR-KGLIPLIRSA-N 1 1 335.452 0.032 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@H]1C ZINC000588124938 438820027 /nfs/dbraw/zinc/82/00/27/438820027.db2.gz QEGLJPKEVPQQLR-KGLIPLIRSA-N 1 1 335.452 0.032 20 30 ECEDMO COC(=O)CNC(=O)CC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632994 438836811 /nfs/dbraw/zinc/83/68/11/438836811.db2.gz SOHHBDZZQZEFIH-UHFFFAOYSA-N 1 1 336.417 0.421 20 30 ECEDMO CN1CC[NH+](CCCCNS(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000561994932 438848432 /nfs/dbraw/zinc/84/84/32/438848432.db2.gz YRXFRNRWCMDSTB-UHFFFAOYSA-N 1 1 328.482 0.627 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000578079722 438895326 /nfs/dbraw/zinc/89/53/26/438895326.db2.gz BGTGNNITJQJCLQ-GOSISDBHSA-N 1 1 342.443 0.971 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000578079722 438895331 /nfs/dbraw/zinc/89/53/31/438895331.db2.gz BGTGNNITJQJCLQ-GOSISDBHSA-N 1 1 342.443 0.971 20 30 ECEDMO Cc1cc(NCC(=O)NC(C)C)c(C#N)c(NCC(=O)NC(C)C)[nH+]1 ZINC000589106836 438856321 /nfs/dbraw/zinc/85/63/21/438856321.db2.gz WZFAXSACHGGKHI-UHFFFAOYSA-N 1 1 346.435 1.135 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000589190145 438861082 /nfs/dbraw/zinc/86/10/82/438861082.db2.gz QNHCCXPFQRGJCW-UHFFFAOYSA-N 1 1 330.388 0.500 20 30 ECEDMO N#CC1(CC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCOCC1 ZINC000595930999 438887676 /nfs/dbraw/zinc/88/76/76/438887676.db2.gz AAPXXTIMWUUMGJ-CQSZACIVSA-N 1 1 334.420 0.120 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000601425541 438888519 /nfs/dbraw/zinc/88/85/19/438888519.db2.gz RVEXCNVTHWPERM-OAHLLOKOSA-N 1 1 337.445 0.878 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000601425541 438888524 /nfs/dbraw/zinc/88/85/24/438888524.db2.gz RVEXCNVTHWPERM-OAHLLOKOSA-N 1 1 337.445 0.878 20 30 ECEDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000590315056 438910616 /nfs/dbraw/zinc/91/06/16/438910616.db2.gz LDWOQUPQLLKSSD-CYBMUJFWSA-N 1 1 346.435 1.001 20 30 ECEDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000590315056 438910622 /nfs/dbraw/zinc/91/06/22/438910622.db2.gz LDWOQUPQLLKSSD-CYBMUJFWSA-N 1 1 346.435 1.001 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000579108880 438980523 /nfs/dbraw/zinc/98/05/23/438980523.db2.gz INKWIAXFLXXQIB-OAHLLOKOSA-N 1 1 337.445 0.378 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC000459700234 438990751 /nfs/dbraw/zinc/99/07/51/438990751.db2.gz NQNRHLPKVXVHPJ-DOTOQJQBSA-N 1 1 331.416 0.835 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC000459700234 438990754 /nfs/dbraw/zinc/99/07/54/438990754.db2.gz NQNRHLPKVXVHPJ-DOTOQJQBSA-N 1 1 331.416 0.835 20 30 ECEDMO N#Cc1c(F)cccc1C[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000602006337 438997016 /nfs/dbraw/zinc/99/70/16/438997016.db2.gz JXLUYKFHTFTVJA-OAHLLOKOSA-N 1 1 346.406 0.720 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC3(C#N)CC3)CC2)CC1 ZINC000579340248 438999096 /nfs/dbraw/zinc/99/90/96/438999096.db2.gz WZSPXOCJBOVGJP-UHFFFAOYSA-N 1 1 333.436 0.486 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C[C@H](C)[N@H+]1CCO ZINC000602044150 439001206 /nfs/dbraw/zinc/00/12/06/439001206.db2.gz BCJFTARRIJBGSX-TXEJJXNPSA-N 1 1 348.378 0.549 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C[C@H](C)[N@@H+]1CCO ZINC000602044150 439001211 /nfs/dbraw/zinc/00/12/11/439001211.db2.gz BCJFTARRIJBGSX-TXEJJXNPSA-N 1 1 348.378 0.549 20 30 ECEDMO Cc1cc(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nn1CCC#N ZINC000596817443 439003445 /nfs/dbraw/zinc/00/34/45/439003445.db2.gz XDXVZJOMPUTPDZ-OAHLLOKOSA-N 1 1 346.435 1.168 20 30 ECEDMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CCN(CCC#N)CC3)cc2C1 ZINC000602081345 439008799 /nfs/dbraw/zinc/00/87/99/439008799.db2.gz WRNCVHKWZLPZQF-UHFFFAOYSA-N 1 1 341.415 0.628 20 30 ECEDMO C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CCN(CCC#N)CC3)cc2C1 ZINC000602081345 439008801 /nfs/dbraw/zinc/00/88/01/439008801.db2.gz WRNCVHKWZLPZQF-UHFFFAOYSA-N 1 1 341.415 0.628 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)C1 ZINC000597251822 439064223 /nfs/dbraw/zinc/06/42/23/439064223.db2.gz NFJZJTCSAUZATH-MRXNPFEDSA-N 1 1 334.464 0.935 20 30 ECEDMO C=C(C)[C@@H](CO)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591477982 439019215 /nfs/dbraw/zinc/01/92/15/439019215.db2.gz UUUHCMIXJTUJPQ-CQSZACIVSA-N 1 1 343.405 0.742 20 30 ECEDMO C=C(C)[C@@H](CO)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591477982 439019218 /nfs/dbraw/zinc/01/92/18/439019218.db2.gz UUUHCMIXJTUJPQ-CQSZACIVSA-N 1 1 343.405 0.742 20 30 ECEDMO C=CCN(C)C(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000459896486 439029729 /nfs/dbraw/zinc/02/97/29/439029729.db2.gz AQWJTJNLDZVJIT-LJQANCHMSA-N 1 1 345.443 0.726 20 30 ECEDMO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCN(CCC#N)CC1 ZINC000602604489 439116078 /nfs/dbraw/zinc/11/60/78/439116078.db2.gz QSSCYTPMAPYBSN-QGZVFWFLSA-N 1 1 329.448 0.504 20 30 ECEDMO CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000602604489 439116082 /nfs/dbraw/zinc/11/60/82/439116082.db2.gz QSSCYTPMAPYBSN-QGZVFWFLSA-N 1 1 329.448 0.504 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000602945190 439167253 /nfs/dbraw/zinc/16/72/53/439167253.db2.gz YCUCGSRJCLFINV-OAHLLOKOSA-N 1 1 346.435 0.376 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000602945190 439167257 /nfs/dbraw/zinc/16/72/57/439167257.db2.gz YCUCGSRJCLFINV-OAHLLOKOSA-N 1 1 346.435 0.376 20 30 ECEDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000592193219 439173038 /nfs/dbraw/zinc/17/30/38/439173038.db2.gz DOBYHRZVCFDHQW-ZFWWWQNUSA-N 1 1 331.372 0.743 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@](O)(CC#N)C3)C2)CC1 ZINC000591960050 439122956 /nfs/dbraw/zinc/12/29/56/439122956.db2.gz RPKMCLMPCBIXLG-WMLDXEAASA-N 1 1 335.452 0.215 20 30 ECEDMO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@](O)(CC#N)C3)C2)CC1 ZINC000591960050 439122962 /nfs/dbraw/zinc/12/29/62/439122962.db2.gz RPKMCLMPCBIXLG-WMLDXEAASA-N 1 1 335.452 0.215 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000521594164 439125241 /nfs/dbraw/zinc/12/52/41/439125241.db2.gz WKOJIQVMCZYWAN-QGZVFWFLSA-N 1 1 343.431 0.743 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H](C)N1CC#N ZINC000602860526 439148050 /nfs/dbraw/zinc/14/80/50/439148050.db2.gz JKFNHPQGWFFMSQ-ZNMIVQPWSA-N 1 1 328.482 0.576 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000592141198 439164675 /nfs/dbraw/zinc/16/46/75/439164675.db2.gz IXHQPZPDWFBLOV-ZACQAIPSSA-N 1 1 334.464 0.790 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592147651 439165413 /nfs/dbraw/zinc/16/54/13/439165413.db2.gz QZOZYCXDTHDVLC-GUYCJALGSA-N 1 1 337.420 0.527 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592147651 439165418 /nfs/dbraw/zinc/16/54/18/439165418.db2.gz QZOZYCXDTHDVLC-GUYCJALGSA-N 1 1 337.420 0.527 20 30 ECEDMO C=CCCCS(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000489245108 439220065 /nfs/dbraw/zinc/22/00/65/439220065.db2.gz HHDWXVVGBIEESF-CQSZACIVSA-N 1 1 331.482 0.815 20 30 ECEDMO C=CCCCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000489245108 439220069 /nfs/dbraw/zinc/22/00/69/439220069.db2.gz HHDWXVVGBIEESF-CQSZACIVSA-N 1 1 331.482 0.815 20 30 ECEDMO N#CCNCc1cn(Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000603253975 439220238 /nfs/dbraw/zinc/22/02/38/439220238.db2.gz HJNOGZWHILKFHG-UHFFFAOYSA-N 1 1 326.404 0.772 20 30 ECEDMO C=CCCCS(=O)(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000489471506 439227917 /nfs/dbraw/zinc/22/79/17/439227917.db2.gz BAQNKBWPZVHTSN-UHFFFAOYSA-N 1 1 339.465 0.961 20 30 ECEDMO CN1CCN(c2cc(CNC(=O)[C@@H]([NH3+])CCCC#N)ccn2)CC1 ZINC000567780523 439175538 /nfs/dbraw/zinc/17/55/38/439175538.db2.gz WIDRVPFKGWRZHF-HNNXBMFYSA-N 1 1 330.436 0.471 20 30 ECEDMO N#Cc1cc(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)ccn1 ZINC000603122082 439195865 /nfs/dbraw/zinc/19/58/65/439195865.db2.gz HPXJEDSTPFETGJ-UHFFFAOYSA-N 1 1 345.403 0.956 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COc2cnc(C#N)nc2)C1 ZINC000488751502 439201161 /nfs/dbraw/zinc/20/11/61/439201161.db2.gz POKWVXIDAQVZIJ-AWEZNQCLSA-N 1 1 333.392 0.200 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC[N@H+]1C ZINC000592772397 439276672 /nfs/dbraw/zinc/27/66/72/439276672.db2.gz HROMSKBIKDHTQP-BFHYXJOUSA-N 1 1 328.420 0.726 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000490615735 439278285 /nfs/dbraw/zinc/27/82/85/439278285.db2.gz HIPIZEWMWLCUHY-ZIAGYGMSSA-N 1 1 347.415 0.880 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1C#N ZINC000592793078 439280398 /nfs/dbraw/zinc/28/03/98/439280398.db2.gz IOSIUFZSKFGBCT-ZIAGYGMSSA-N 1 1 330.436 0.589 20 30 ECEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000603820045 439283768 /nfs/dbraw/zinc/28/37/68/439283768.db2.gz QEKGFYDPHYGYSY-AWEZNQCLSA-N 1 1 344.415 0.558 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000526056723 439236660 /nfs/dbraw/zinc/23/66/60/439236660.db2.gz BZLYICMDJHPERY-CABCVRRESA-N 1 1 347.463 0.176 20 30 ECEDMO C=CCCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000489714585 439239316 /nfs/dbraw/zinc/23/93/16/439239316.db2.gz KTTQSCPDXKHJQT-CQSZACIVSA-N 1 1 329.466 0.521 20 30 ECEDMO COC(=O)c1cccc(CN2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c1C#N ZINC000582346777 439322906 /nfs/dbraw/zinc/32/29/06/439322906.db2.gz BLCUJTWVQFADIN-CQSZACIVSA-N 1 1 345.399 0.881 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000491069361 439328989 /nfs/dbraw/zinc/32/89/89/439328989.db2.gz VICRLEVPBBFIMC-CQSZACIVSA-N 1 1 332.448 0.808 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC ZINC000491067868 439329072 /nfs/dbraw/zinc/32/90/72/439329072.db2.gz KOTUMKAGBCPNDA-ZIAGYGMSSA-N 1 1 330.450 0.593 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000491125658 439335779 /nfs/dbraw/zinc/33/57/79/439335779.db2.gz GEUQDAIHYGDWCG-INIZCTEOSA-N 1 1 335.835 0.740 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000598601110 439285247 /nfs/dbraw/zinc/28/52/47/439285247.db2.gz ZIZNHCVGDFKGIU-KKUMJFAQSA-N 1 1 344.477 0.955 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000598601110 439285251 /nfs/dbraw/zinc/28/52/51/439285251.db2.gz ZIZNHCVGDFKGIU-KKUMJFAQSA-N 1 1 344.477 0.955 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)cc1 ZINC000569003507 439298759 /nfs/dbraw/zinc/29/87/59/439298759.db2.gz OCCJSNUZVAJQEZ-MSOLQXFVSA-N 1 1 347.459 0.929 20 30 ECEDMO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598728635 439307555 /nfs/dbraw/zinc/30/75/55/439307555.db2.gz DTYWLDBIUYIEBV-GDBMZVCRSA-N 1 1 337.445 0.452 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000491296706 439362036 /nfs/dbraw/zinc/36/20/36/439362036.db2.gz MWBVOZSDDRLKJT-HNNXBMFYSA-N 1 1 337.464 0.673 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC000491166349 439341938 /nfs/dbraw/zinc/34/19/38/439341938.db2.gz RIQRSRBCTODKKA-UHFFFAOYSA-N 1 1 344.477 0.984 20 30 ECEDMO C[C@]1(C(N)=O)CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528484485 439342479 /nfs/dbraw/zinc/34/24/79/439342479.db2.gz IFGYRRHTBJNTSE-SFHVURJKSA-N 1 1 325.368 0.483 20 30 ECEDMO C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)C[C@H](C)[N@@H+]1CCO ZINC000528519259 439344790 /nfs/dbraw/zinc/34/47/90/439344790.db2.gz MELXXEVASLNDSH-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H](C)N1CCO ZINC000528519259 439344792 /nfs/dbraw/zinc/34/47/92/439344792.db2.gz MELXXEVASLNDSH-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H](C)N1CCO ZINC000528519259 439344797 /nfs/dbraw/zinc/34/47/97/439344797.db2.gz MELXXEVASLNDSH-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO CNC(=O)[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528529075 439346678 /nfs/dbraw/zinc/34/66/78/439346678.db2.gz VMTXKAQFEDZEFO-ZDUSSCGKSA-N 1 1 325.368 0.354 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1CC(=O)OC ZINC000491208985 439347751 /nfs/dbraw/zinc/34/77/51/439347751.db2.gz BFHHXIJAQSQTSK-UHFFFAOYSA-N 1 1 345.399 0.412 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000528551761 439350075 /nfs/dbraw/zinc/35/00/75/439350075.db2.gz PCNIGCPNERKCMQ-KGLIPLIRSA-N 1 1 328.438 0.062 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2C)CC1 ZINC000491209664 439350696 /nfs/dbraw/zinc/35/06/96/439350696.db2.gz KDAHWBSLSIYBGA-KRWDZBQOSA-N 1 1 345.443 0.102 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)CC1 ZINC000491221035 439352925 /nfs/dbraw/zinc/35/29/25/439352925.db2.gz SIUALKBCUYHJRU-KRWDZBQOSA-N 1 1 346.475 0.143 20 30 ECEDMO C#C[C@@H]1COCCN1C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000491337437 439367734 /nfs/dbraw/zinc/36/77/34/439367734.db2.gz AEPAVSKGNDKCQO-OAHLLOKOSA-N 1 1 336.436 0.021 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2(C#N)CCCC2)CC1 ZINC000593342768 439369857 /nfs/dbraw/zinc/36/98/57/439369857.db2.gz YLZDLKJVOLVRPK-UHFFFAOYSA-N 1 1 335.452 0.922 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000491387234 439375166 /nfs/dbraw/zinc/37/51/66/439375166.db2.gz XRAOTJKDSSMGKO-LJQANCHMSA-N 1 1 327.428 0.906 20 30 ECEDMO C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000491621834 439412933 /nfs/dbraw/zinc/41/29/33/439412933.db2.gz OQAQQCZSXWHOOI-LBPRGKRZSA-N 1 1 330.388 0.605 20 30 ECEDMO C[C@@H](CS(C)(=O)=O)[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000599292972 439421054 /nfs/dbraw/zinc/42/10/54/439421054.db2.gz MHUPRNPDKNDZON-ZFWWWQNUSA-N 1 1 344.477 0.955 20 30 ECEDMO C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000599292972 439421059 /nfs/dbraw/zinc/42/10/59/439421059.db2.gz MHUPRNPDKNDZON-ZFWWWQNUSA-N 1 1 344.477 0.955 20 30 ECEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)CCOCC1 ZINC000599299058 439423095 /nfs/dbraw/zinc/42/30/95/439423095.db2.gz AGKPNJCZJIZTGR-IRXDYDNUSA-N 1 1 337.464 0.712 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000491674927 439425004 /nfs/dbraw/zinc/42/50/04/439425004.db2.gz SRKDJMCPLNXANP-UHFFFAOYSA-N 1 1 334.445 0.884 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491714645 439432672 /nfs/dbraw/zinc/43/26/72/439432672.db2.gz GZLCFGBZOXOCSK-OCCSQVGLSA-N 1 1 333.354 0.009 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491714645 439432676 /nfs/dbraw/zinc/43/26/76/439432676.db2.gz GZLCFGBZOXOCSK-OCCSQVGLSA-N 1 1 333.354 0.009 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCSC[C@@H](C(=O)OC)C1 ZINC000491770009 439445397 /nfs/dbraw/zinc/44/53/97/439445397.db2.gz NIBHIAXFTKVDKJ-ZDUSSCGKSA-N 1 1 327.450 0.489 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](CC)CC(OCC)OCC)CC1 ZINC000491783540 439448625 /nfs/dbraw/zinc/44/86/25/439448625.db2.gz PIZMAQDASLCHRB-UHFFFAOYSA-N 1 1 325.453 0.485 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CC)CC(OCC)OCC)CC1 ZINC000491783540 439448631 /nfs/dbraw/zinc/44/86/31/439448631.db2.gz PIZMAQDASLCHRB-UHFFFAOYSA-N 1 1 325.453 0.485 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)/C=C\c2cncc(C(=O)NC)c2)CC1 ZINC000491840200 439461899 /nfs/dbraw/zinc/46/18/99/439461899.db2.gz BEGFYVPQEGUIGX-WAYWQWQTSA-N 1 1 326.400 0.622 20 30 ECEDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599475523 439483277 /nfs/dbraw/zinc/48/32/77/439483277.db2.gz RTIJYTBIZKYLQE-CABCVRRESA-N 1 1 338.452 0.745 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000530340170 439499023 /nfs/dbraw/zinc/49/90/23/439499023.db2.gz MIBBNZOKBOREOZ-DOMZBBRYSA-N 1 1 348.447 0.289 20 30 ECEDMO Cn1cc[nH+]c1[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000593968289 439502393 /nfs/dbraw/zinc/50/23/93/439502393.db2.gz PTTJSBZHTXGOBI-AWEZNQCLSA-N 1 1 345.428 0.950 20 30 ECEDMO CCC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CC(=O)N(C)C1=O ZINC000599402469 439458848 /nfs/dbraw/zinc/45/88/48/439458848.db2.gz SPHKUPIBELGEIY-KGLIPLIRSA-N 1 1 337.420 0.527 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ncc1C#N ZINC000594295828 439537360 /nfs/dbraw/zinc/53/73/60/439537360.db2.gz WJYXRYNQFDPOIH-OCCSQVGLSA-N 1 1 329.404 0.999 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000599690905 439538538 /nfs/dbraw/zinc/53/85/38/439538538.db2.gz BDCOBUABAPXQPK-ZFWWWQNUSA-N 1 1 344.481 0.302 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000599690905 439538544 /nfs/dbraw/zinc/53/85/44/439538544.db2.gz BDCOBUABAPXQPK-ZFWWWQNUSA-N 1 1 344.481 0.302 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2ccc(C#N)nc2)[C@H](C)C1 ZINC000599734851 439547878 /nfs/dbraw/zinc/54/78/78/439547878.db2.gz YHCOJCKIILTEHW-CYBMUJFWSA-N 1 1 330.388 0.592 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2ccc(C#N)nc2)[C@H](C)C1 ZINC000599734851 439547884 /nfs/dbraw/zinc/54/78/84/439547884.db2.gz YHCOJCKIILTEHW-CYBMUJFWSA-N 1 1 330.388 0.592 20 30 ECEDMO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392664 439554817 /nfs/dbraw/zinc/55/48/17/439554817.db2.gz JSVPLHCQDWJHDA-AHIWAGSCSA-N 1 1 337.420 0.525 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000594041716 439512160 /nfs/dbraw/zinc/51/21/60/439512160.db2.gz JQHKDHSSHWDFKT-BBWFWOEESA-N 1 1 331.416 0.243 20 30 ECEDMO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594478623 439567139 /nfs/dbraw/zinc/56/71/39/439567139.db2.gz SXMLROWZLCZVJN-WDEREUQCSA-N 1 1 341.820 0.651 20 30 ECEDMO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594478623 439567143 /nfs/dbraw/zinc/56/71/43/439567143.db2.gz SXMLROWZLCZVJN-WDEREUQCSA-N 1 1 341.820 0.651 20 30 ECEDMO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594478944 439567237 /nfs/dbraw/zinc/56/72/37/439567237.db2.gz YEWYBRFBNRFWMR-QWHCGFSZSA-N 1 1 337.401 0.006 20 30 ECEDMO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594478944 439567240 /nfs/dbraw/zinc/56/72/40/439567240.db2.gz YEWYBRFBNRFWMR-QWHCGFSZSA-N 1 1 337.401 0.006 20 30 ECEDMO N#Cc1cc(F)c(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000594478390 439568122 /nfs/dbraw/zinc/56/81/22/439568122.db2.gz RTVLJSDCHHQBLM-WDEREUQCSA-N 1 1 343.355 0.276 20 30 ECEDMO N#Cc1cc(F)c(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000594478390 439568129 /nfs/dbraw/zinc/56/81/29/439568129.db2.gz RTVLJSDCHHQBLM-WDEREUQCSA-N 1 1 343.355 0.276 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000547327525 439573939 /nfs/dbraw/zinc/57/39/39/439573939.db2.gz OCGXUKQLXXGCIG-QGZVFWFLSA-N 1 1 349.456 0.847 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000609537709 439576248 /nfs/dbraw/zinc/57/62/48/439576248.db2.gz CVUSQZMFTUQKQE-IAGOWNOFSA-N 1 1 335.496 0.705 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc(C#N)cc1 ZINC000594618883 439581848 /nfs/dbraw/zinc/58/18/48/439581848.db2.gz IISMXDBCAOAMEF-UHOFOFEASA-N 1 1 342.399 0.013 20 30 ECEDMO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000610000654 439596220 /nfs/dbraw/zinc/59/62/20/439596220.db2.gz NZYBUWNYIHNIPN-IRXDYDNUSA-N 1 1 328.416 0.881 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000610002923 439596248 /nfs/dbraw/zinc/59/62/48/439596248.db2.gz RFKMLNQBJUFDGW-CABCVRRESA-N 1 1 338.452 0.573 20 30 ECEDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000610675123 439637207 /nfs/dbraw/zinc/63/72/07/439637207.db2.gz WPTSBMVXVAKBBF-UHFFFAOYSA-N 1 1 332.368 0.841 20 30 ECEDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000595111404 439654423 /nfs/dbraw/zinc/65/44/23/439654423.db2.gz KDPCCJIAIYHYFS-AWEZNQCLSA-N 1 1 337.401 0.225 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610906524 439656118 /nfs/dbraw/zinc/65/61/18/439656118.db2.gz JXTZYLPIELSFQJ-SWLSCSKDSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610906524 439656121 /nfs/dbraw/zinc/65/61/21/439656121.db2.gz JXTZYLPIELSFQJ-SWLSCSKDSA-N 1 1 330.388 0.641 20 30 ECEDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 ZINC000595194017 439672509 /nfs/dbraw/zinc/67/25/09/439672509.db2.gz GTNBYBLGBVFNLH-ZDUSSCGKSA-N 1 1 332.408 0.644 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000613262438 439754117 /nfs/dbraw/zinc/75/41/17/439754117.db2.gz HULDECCWFXOGKK-CQSZACIVSA-N 1 1 327.450 0.807 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000613262438 439754118 /nfs/dbraw/zinc/75/41/18/439754118.db2.gz HULDECCWFXOGKK-CQSZACIVSA-N 1 1 327.450 0.807 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000612534773 439724458 /nfs/dbraw/zinc/72/44/58/439724458.db2.gz JLJJKFMCNMAREQ-DLBZAZTESA-N 1 1 331.416 0.509 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000595469914 439731843 /nfs/dbraw/zinc/73/18/43/439731843.db2.gz JSDUEYMJKKWYLQ-CABCVRRESA-N 1 1 338.452 0.573 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595469914 439731847 /nfs/dbraw/zinc/73/18/47/439731847.db2.gz JSDUEYMJKKWYLQ-CABCVRRESA-N 1 1 338.452 0.573 20 30 ECEDMO C[C@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1CCO ZINC000614600967 439781755 /nfs/dbraw/zinc/78/17/55/439781755.db2.gz YEYBPUBLWJUCQA-RDJZCZTQSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CCO ZINC000614600967 439781756 /nfs/dbraw/zinc/78/17/56/439781756.db2.gz YEYBPUBLWJUCQA-RDJZCZTQSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CCO ZINC000614600967 439781757 /nfs/dbraw/zinc/78/17/57/439781757.db2.gz YEYBPUBLWJUCQA-RDJZCZTQSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@H]1CN(C(=O)NC2CCN(CC#N)CC2)CC[N@H+]1CC(C)(C)O ZINC000614813175 439787471 /nfs/dbraw/zinc/78/74/71/439787471.db2.gz LPIOCUDUGHIESK-AWEZNQCLSA-N 1 1 337.468 0.461 20 30 ECEDMO N#C[C@@]1(F)CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000615547122 439802410 /nfs/dbraw/zinc/80/24/10/439802410.db2.gz UZIFFHRFXRMLQZ-HOCLYGCPSA-N 1 1 339.415 0.040 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000615793861 439806751 /nfs/dbraw/zinc/80/67/51/439806751.db2.gz RJKRDOZNTZWUBS-HIFRSBDPSA-N 1 1 347.463 0.351 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641666115 439882975 /nfs/dbraw/zinc/88/29/75/439882975.db2.gz AOONEILOSGLDOG-IRXDYDNUSA-N 1 1 339.480 0.880 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000636728563 440012663 /nfs/dbraw/zinc/01/26/63/440012663.db2.gz BRQSZUVXAOVCDS-UHFFFAOYSA-N 1 1 338.496 0.847 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000618900667 440172858 /nfs/dbraw/zinc/17/28/58/440172858.db2.gz OZODIPKICYWEON-HLLBOEOZSA-N 1 1 331.416 0.997 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000618900667 440172861 /nfs/dbraw/zinc/17/28/61/440172861.db2.gz OZODIPKICYWEON-HLLBOEOZSA-N 1 1 331.416 0.997 20 30 ECEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)nn1 ZINC000653486004 440191005 /nfs/dbraw/zinc/19/10/05/440191005.db2.gz GQUCDPRLFMMNFZ-HNNXBMFYSA-N 1 1 333.436 0.925 20 30 ECEDMO C=CCCn1cc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)nn1 ZINC000653486004 440191012 /nfs/dbraw/zinc/19/10/12/440191012.db2.gz GQUCDPRLFMMNFZ-HNNXBMFYSA-N 1 1 333.436 0.925 20 30 ECEDMO C=CCn1c(COCCOC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000634339640 440645577 /nfs/dbraw/zinc/64/55/77/440645577.db2.gz MMLHNRBWYJMYIT-CQSZACIVSA-N 1 1 337.424 0.148 20 30 ECEDMO C=CCn1c(COCCOC)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000634339640 440645580 /nfs/dbraw/zinc/64/55/80/440645580.db2.gz MMLHNRBWYJMYIT-CQSZACIVSA-N 1 1 337.424 0.148 20 30 ECEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000661381224 440844477 /nfs/dbraw/zinc/84/44/77/440844477.db2.gz XWJXUHXFAYEWLD-CQSZACIVSA-N 1 1 331.482 0.672 20 30 ECEDMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000646029799 440976190 /nfs/dbraw/zinc/97/61/90/440976190.db2.gz LTCYMGNFQDTNAL-QAPCUYQASA-N 1 1 348.399 0.988 20 30 ECEDMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000646029799 440976194 /nfs/dbraw/zinc/97/61/94/440976194.db2.gz LTCYMGNFQDTNAL-QAPCUYQASA-N 1 1 348.399 0.988 20 30 ECEDMO C=C(C)C[C@H]1NC(=O)N(CC2([NH+]3CCOCC3)CCOCC2)C1=O ZINC000630983826 440995172 /nfs/dbraw/zinc/99/51/72/440995172.db2.gz DGKSSOCVFGDTFV-CQSZACIVSA-N 1 1 337.420 0.754 20 30 ECEDMO C=CCNC(=O)[C@H](C)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335161 441017740 /nfs/dbraw/zinc/01/77/40/441017740.db2.gz GJPMKQHMEWRQMF-GJZGRUSLSA-N 1 1 346.479 0.689 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2ncccc2C#N)CC1 ZINC000562479233 322276049 /nfs/dbraw/zinc/27/60/49/322276049.db2.gz XBPIHUYDSPBEEI-INIZCTEOSA-N 1 1 333.436 0.014 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)ncc1C#N ZINC000563385943 322313112 /nfs/dbraw/zinc/31/31/12/322313112.db2.gz MERIQXDCSSLETF-AWEZNQCLSA-N 1 1 329.404 0.999 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)ncc1C#N ZINC000563385943 322313115 /nfs/dbraw/zinc/31/31/15/322313115.db2.gz MERIQXDCSSLETF-AWEZNQCLSA-N 1 1 329.404 0.999 20 30 ECEDMO Cn1cc(C#N)c(=O)n(Cc2cccc(C[NH+]3CCOCC3)c2)c1=O ZINC000567623683 322589824 /nfs/dbraw/zinc/58/98/24/322589824.db2.gz UKTMNAWZGVOAHC-UHFFFAOYSA-N 1 1 340.383 0.299 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078005889 782118701 /nfs/dbraw/zinc/11/87/01/782118701.db2.gz LZSDFWWKPCVZKT-GUDVDZBRSA-N 1 1 341.455 0.541 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(=O)ccoc3c2)C1 ZINC001078019365 782150037 /nfs/dbraw/zinc/15/00/37/782150037.db2.gz QBPILVFTKBPYPL-GDBMZVCRSA-N 1 1 326.352 0.591 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(=O)ccoc3c2)C1 ZINC001078019365 782150040 /nfs/dbraw/zinc/15/00/40/782150040.db2.gz QBPILVFTKBPYPL-GDBMZVCRSA-N 1 1 326.352 0.591 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)[N@H+](C)C1 ZINC000328951496 546011000 /nfs/dbraw/zinc/01/10/00/546011000.db2.gz HTHSOEYBLBYTEE-JSGCOSHPSA-N 1 1 345.465 0.619 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)[N@@H+](C)C1 ZINC000328951496 546011003 /nfs/dbraw/zinc/01/10/03/546011003.db2.gz HTHSOEYBLBYTEE-JSGCOSHPSA-N 1 1 345.465 0.619 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)[N@H+](C)C1 ZINC000329140754 546015285 /nfs/dbraw/zinc/01/52/85/546015285.db2.gz TVWVQONVUPXXAZ-RWMBFGLXSA-N 1 1 327.450 0.974 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)[N@@H+](C)C1 ZINC000329140754 546015290 /nfs/dbraw/zinc/01/52/90/546015290.db2.gz TVWVQONVUPXXAZ-RWMBFGLXSA-N 1 1 327.450 0.974 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000329385846 546022759 /nfs/dbraw/zinc/02/27/59/546022759.db2.gz SEIPAYHSFBJBGL-GHMZBOCLSA-N 1 1 336.358 0.600 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000329503611 546026262 /nfs/dbraw/zinc/02/62/62/546026262.db2.gz ZBMRXQWNVYYFEG-HZPDHXFCSA-N 1 1 325.501 0.856 20 30 ECEDMO C[C@@H](CNC(=O)c1nn(C)c2ccccc2c1=O)N1CC[NH+](C)CC1 ZINC000329620515 546029363 /nfs/dbraw/zinc/02/93/63/546029363.db2.gz FJFUPKWEEZMIDO-ZDUSSCGKSA-N 1 1 343.431 0.874 20 30 ECEDMO Cn1nnc(CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)n1 ZINC000330225607 546041720 /nfs/dbraw/zinc/04/17/20/546041720.db2.gz TZIAMPLQSYACAI-HNNXBMFYSA-N 1 1 329.408 0.655 20 30 ECEDMO CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619532205 546339095 /nfs/dbraw/zinc/33/90/95/546339095.db2.gz RBXOTZKFSYRAKU-CRAIPNDOSA-N 1 1 331.416 0.950 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)cc1 ZINC000619574295 546342936 /nfs/dbraw/zinc/34/29/36/546342936.db2.gz OMFLDICXHQIYBG-CVEARBPZSA-N 1 1 344.390 0.933 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC000648774557 547419769 /nfs/dbraw/zinc/41/97/69/547419769.db2.gz BRKYVAUSUSFYHW-HNNXBMFYSA-N 1 1 332.452 0.706 20 30 ECEDMO C=CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675101018 548708499 /nfs/dbraw/zinc/70/84/99/548708499.db2.gz NAHWPYKQSIOPFW-INIZCTEOSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000675101018 548708502 /nfs/dbraw/zinc/70/85/02/548708502.db2.gz NAHWPYKQSIOPFW-INIZCTEOSA-N 1 1 336.480 0.696 20 30 ECEDMO Cn1ncc(Br)c1C=NNCCC[NH+]1CCOCC1 ZINC000799490080 578666139 /nfs/dbraw/zinc/66/61/39/578666139.db2.gz ORZRZGNDBKOKNP-UHFFFAOYSA-N 1 1 330.230 0.828 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC001041772816 782172259 /nfs/dbraw/zinc/17/22/59/782172259.db2.gz PKDPKDBCVBBVLK-SFHVURJKSA-N 1 1 346.431 0.265 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC001041773134 782173216 /nfs/dbraw/zinc/17/32/16/782173216.db2.gz UTDHGEJKRBOAAZ-KRWDZBQOSA-N 1 1 334.420 0.427 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)nc1 ZINC001078031484 782177561 /nfs/dbraw/zinc/17/75/61/782177561.db2.gz WGCVGPUEWIXGJO-HZPDHXFCSA-N 1 1 342.424 0.537 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)nc1 ZINC001078031484 782177567 /nfs/dbraw/zinc/17/75/67/782177567.db2.gz WGCVGPUEWIXGJO-HZPDHXFCSA-N 1 1 342.424 0.537 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1C ZINC000751807542 579375813 /nfs/dbraw/zinc/37/58/13/579375813.db2.gz TXTGWRKZUNRCBE-ZDUSSCGKSA-N 1 1 331.424 0.368 20 30 ECEDMO C[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)C[NH+]1CCOCC1 ZINC000755003765 579427641 /nfs/dbraw/zinc/42/76/41/579427641.db2.gz YKIBHAXDKRCQMQ-GFCCVEGCSA-N 1 1 338.433 0.586 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCN1CCOC1=O ZINC000756910482 579456680 /nfs/dbraw/zinc/45/66/80/579456680.db2.gz BGDIYCIXZJDFDE-CYBMUJFWSA-N 1 1 330.392 0.701 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCN1CCOC1=O ZINC000756910482 579456681 /nfs/dbraw/zinc/45/66/81/579456681.db2.gz BGDIYCIXZJDFDE-CYBMUJFWSA-N 1 1 330.392 0.701 20 30 ECEDMO C#CCNC(=S)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758216925 579468834 /nfs/dbraw/zinc/46/88/34/579468834.db2.gz KOHUTVSTLSVNDB-UHFFFAOYSA-N 1 1 332.473 0.915 20 30 ECEDMO CC(C)[N@H+]1CCCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000732468093 578326087 /nfs/dbraw/zinc/32/60/87/578326087.db2.gz BPDYJUPYDHCBMG-FOCLMDBBSA-N 1 1 349.435 0.639 20 30 ECEDMO CCOCCC[N@H+]1CCC(=NNC(=S)NCC(N)=O)[C@H](C)C1 ZINC000735229995 578380652 /nfs/dbraw/zinc/38/06/52/578380652.db2.gz VSBGNSNZBYXCEX-LLVKDONJSA-N 1 1 329.470 0.060 20 30 ECEDMO O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNCCC[NH+]1CCOCC1 ZINC000799491325 578666184 /nfs/dbraw/zinc/66/61/84/578666184.db2.gz IKRVQLAXUSKUTG-UHFFFAOYSA-N 1 1 333.348 0.563 20 30 ECEDMO C[C@@H](CNC(=O)[C@@H](O)c1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000780939652 578703323 /nfs/dbraw/zinc/70/33/23/578703323.db2.gz KIEGYFMCIOZLIH-YOEHRIQHSA-N 1 1 330.432 0.591 20 30 ECEDMO C#CCOCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000785151666 578763948 /nfs/dbraw/zinc/76/39/48/578763948.db2.gz DBMWGQDCWPMGCW-UHFFFAOYSA-N 1 1 327.344 0.280 20 30 ECEDMO C=CCN(C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000785400452 578767797 /nfs/dbraw/zinc/76/77/97/578767797.db2.gz TXPZOYDNGWTWQB-HNNXBMFYSA-N 1 1 325.453 0.882 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000787588896 578810153 /nfs/dbraw/zinc/81/01/53/578810153.db2.gz HHZLHQJUMSCAFF-HOTGVXAUSA-N 1 1 332.448 0.688 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000787588896 578810155 /nfs/dbraw/zinc/81/01/55/578810155.db2.gz HHZLHQJUMSCAFF-HOTGVXAUSA-N 1 1 332.448 0.688 20 30 ECEDMO NC(=O)c1ccccc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000788700081 578842880 /nfs/dbraw/zinc/84/28/80/578842880.db2.gz JDVAGMJUZNNTOV-UHFFFAOYSA-N 1 1 349.460 0.306 20 30 ECEDMO CC1(C)NC(=O)CCC1=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000792907341 578917230 /nfs/dbraw/zinc/91/72/30/578917230.db2.gz WHYSQNPMVZMZRO-UHFFFAOYSA-N 1 1 341.481 0.217 20 30 ECEDMO C[C@@H]([NH2+]CC(=O)NCCC#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000775337910 579265757 /nfs/dbraw/zinc/26/57/57/579265757.db2.gz KZPZCWFDBPAUTG-GFCCVEGCSA-N 1 1 338.433 0.617 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCO1 ZINC000775800696 579271704 /nfs/dbraw/zinc/27/17/04/579271704.db2.gz TZPCHNAVMKTQPA-KGLIPLIRSA-N 1 1 337.401 0.043 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000778224963 579307251 /nfs/dbraw/zinc/30/72/51/579307251.db2.gz KLUWYQHIKFWQPB-CQSZACIVSA-N 1 1 349.456 0.969 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000778224963 579307252 /nfs/dbraw/zinc/30/72/52/579307252.db2.gz KLUWYQHIKFWQPB-CQSZACIVSA-N 1 1 349.456 0.969 20 30 ECEDMO CCNC(=O)COc1ccc(C=NNC2=[NH+]C[C@@H](C)N2)cc1OC ZINC000779791970 579320878 /nfs/dbraw/zinc/32/08/78/579320878.db2.gz HDWULLYBPCGEHU-LLVKDONJSA-N 1 1 333.392 0.481 20 30 ECEDMO COc1nccnc1N=NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000763412756 579559976 /nfs/dbraw/zinc/55/99/76/579559976.db2.gz SFUPBCJZIASPHB-UHFFFAOYSA-N 1 1 328.380 0.473 20 30 ECEDMO C=CCn1nnn(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1=S ZINC000738213733 579612083 /nfs/dbraw/zinc/61/20/83/579612083.db2.gz LXPMQEKMQFWBRO-AWEZNQCLSA-N 1 1 337.497 0.664 20 30 ECEDMO CC(=NNCC(F)F)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000740617723 579755662 /nfs/dbraw/zinc/75/56/62/579755662.db2.gz NQRPHJGQLIDDAT-UHFFFAOYSA-N 1 1 346.403 0.859 20 30 ECEDMO CCC(=NNC(=S)NCCC[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000741836050 579778224 /nfs/dbraw/zinc/77/82/24/579778224.db2.gz AFRNAGFTZOZTMR-CYBMUJFWSA-N 1 1 328.482 0.975 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000743919283 579803370 /nfs/dbraw/zinc/80/33/70/579803370.db2.gz DYNGZZCHRADRQS-HNNXBMFYSA-N 1 1 345.399 0.474 20 30 ECEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746377817 579837503 /nfs/dbraw/zinc/83/75/03/579837503.db2.gz PGAWVZVTQARSJJ-ZDUSSCGKSA-N 1 1 346.435 0.972 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)n(CCC#N)n1 ZINC000746423054 579838849 /nfs/dbraw/zinc/83/88/49/579838849.db2.gz RCJHYRKLZKGBEQ-ZDUSSCGKSA-N 1 1 332.408 0.644 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000837859360 588963351 /nfs/dbraw/zinc/96/33/51/588963351.db2.gz NIOIGTLBKFCCIN-HNNXBMFYSA-N 1 1 346.435 0.511 20 30 ECEDMO C=C(Br)CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000841742995 588999652 /nfs/dbraw/zinc/99/96/52/588999652.db2.gz BDPPOAJMQSVJMH-LLVKDONJSA-N 1 1 345.241 0.501 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896229802 586229353 /nfs/dbraw/zinc/22/93/53/586229353.db2.gz ICFAOVYCVQHFEC-CABCVRRESA-N 1 1 336.436 0.089 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC000896488569 586243823 /nfs/dbraw/zinc/24/38/23/586243823.db2.gz IFCFVAHYFVTKRA-KBPBESRZSA-N 1 1 344.419 0.158 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC000896488569 586243824 /nfs/dbraw/zinc/24/38/24/586243824.db2.gz IFCFVAHYFVTKRA-KBPBESRZSA-N 1 1 344.419 0.158 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(CN3CCNC3=O)CC2)C1 ZINC000896489855 586243885 /nfs/dbraw/zinc/24/38/85/586243885.db2.gz OVAUJBABQRAOJL-INIZCTEOSA-N 1 1 347.463 0.531 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(CN3CCNC3=O)CC2)C1 ZINC000896489855 586243886 /nfs/dbraw/zinc/24/38/86/586243886.db2.gz OVAUJBABQRAOJL-INIZCTEOSA-N 1 1 347.463 0.531 20 30 ECEDMO N#Cc1csc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)n1 ZINC000897262057 586290923 /nfs/dbraw/zinc/29/09/23/586290923.db2.gz TWTXNMFIKKUXTR-OLZOCXBDSA-N 1 1 335.433 0.755 20 30 ECEDMO N#CCN1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000892879078 586298511 /nfs/dbraw/zinc/29/85/11/586298511.db2.gz FXKXINPRZQGQEM-HOTGVXAUSA-N 1 1 335.452 0.215 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000897482300 586331635 /nfs/dbraw/zinc/33/16/35/586331635.db2.gz PLTVXXXGQDESDD-OAHLLOKOSA-N 1 1 337.468 0.100 20 30 ECEDMO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000897519690 586337782 /nfs/dbraw/zinc/33/77/82/586337782.db2.gz UIXSLCHMVWKETJ-UMVBOHGHSA-N 1 1 340.449 0.050 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000897519690 586337784 /nfs/dbraw/zinc/33/77/84/586337784.db2.gz UIXSLCHMVWKETJ-UMVBOHGHSA-N 1 1 340.449 0.050 20 30 ECEDMO C#CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCCC1 ZINC000893903799 586365547 /nfs/dbraw/zinc/36/55/47/586365547.db2.gz VXOGMEIXRRRZKQ-MRXNPFEDSA-N 1 1 347.459 0.762 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)CNc2ccc(C#N)cc2)C1 ZINC000898254062 586411007 /nfs/dbraw/zinc/41/10/07/586411007.db2.gz DKRFHJYLBLUEFW-UHFFFAOYSA-N 1 1 346.431 0.776 20 30 ECEDMO N#CCc1ccccc1CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899060349 586467585 /nfs/dbraw/zinc/46/75/85/586467585.db2.gz HNKIODPAXLLSTI-UHFFFAOYSA-N 1 1 329.400 0.860 20 30 ECEDMO N#CCc1ccccc1CC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899060349 586467587 /nfs/dbraw/zinc/46/75/87/586467587.db2.gz HNKIODPAXLLSTI-UHFFFAOYSA-N 1 1 329.400 0.860 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000900045169 586520838 /nfs/dbraw/zinc/52/08/38/586520838.db2.gz MKRWDAJFMXSLOH-WMLDXEAASA-N 1 1 329.404 0.057 20 30 ECEDMO N#Cc1ccccc1C(F)(F)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000900060642 586521861 /nfs/dbraw/zinc/52/18/61/586521861.db2.gz IKGNBMNXJGSOHI-UHFFFAOYSA-N 1 1 336.342 0.716 20 30 ECEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900135648 586526021 /nfs/dbraw/zinc/52/60/21/586526021.db2.gz XNHHVROCGIXRIQ-FUHWJXTLSA-N 1 1 331.416 0.988 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900585319 586647895 /nfs/dbraw/zinc/64/78/95/586647895.db2.gz MOPPGZUEJRIAIO-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000900673572 586654429 /nfs/dbraw/zinc/65/44/29/586654429.db2.gz UQMIWRAADVGGCG-HOCLYGCPSA-N 1 1 348.447 0.460 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000900673572 586654431 /nfs/dbraw/zinc/65/44/31/586654431.db2.gz UQMIWRAADVGGCG-HOCLYGCPSA-N 1 1 348.447 0.460 20 30 ECEDMO C[C@H]([NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1)C(=O)N(C)CCC#N ZINC000901611653 586712466 /nfs/dbraw/zinc/71/24/66/586712466.db2.gz AADPFYKDZDROMM-NWDGAFQWSA-N 1 1 326.397 0.887 20 30 ECEDMO C#CCC1(NC(=O)NCCCCN2CC[NH+](C)CC2)CCOCC1 ZINC000888313056 586768053 /nfs/dbraw/zinc/76/80/53/586768053.db2.gz WKCTVJAKZJSUMA-UHFFFAOYSA-N 1 1 336.480 0.886 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2cc(C#N)ccc2F)CC1 ZINC000888354633 586773860 /nfs/dbraw/zinc/77/38/60/586773860.db2.gz AWXNWFWDPDVEJB-UHFFFAOYSA-N 1 1 333.367 0.983 20 30 ECEDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000838228045 586800312 /nfs/dbraw/zinc/80/03/12/586800312.db2.gz NYTTXSUDPVXMJA-AWEZNQCLSA-N 1 1 332.404 0.797 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000838228045 586800313 /nfs/dbraw/zinc/80/03/13/586800313.db2.gz NYTTXSUDPVXMJA-AWEZNQCLSA-N 1 1 332.404 0.797 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000905452484 586893135 /nfs/dbraw/zinc/89/31/35/586893135.db2.gz ORKCKZVQGHUPTJ-HNNXBMFYSA-N 1 1 347.440 0.932 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000905525625 586899835 /nfs/dbraw/zinc/89/98/35/586899835.db2.gz HSPBSKZCOCAMPV-MRXNPFEDSA-N 1 1 336.480 0.555 20 30 ECEDMO C=C(C)CNC(=S)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000905556168 586900523 /nfs/dbraw/zinc/90/05/23/586900523.db2.gz QAKMLIOOUAAHRB-HNNXBMFYSA-N 1 1 326.510 0.823 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)cc1 ZINC000907247427 587029343 /nfs/dbraw/zinc/02/93/43/587029343.db2.gz OAIBPIYVGMIQTK-AWEZNQCLSA-N 1 1 336.413 0.393 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cc1 ZINC000907247427 587029345 /nfs/dbraw/zinc/02/93/45/587029345.db2.gz OAIBPIYVGMIQTK-AWEZNQCLSA-N 1 1 336.413 0.393 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000907384481 587039079 /nfs/dbraw/zinc/03/90/79/587039079.db2.gz YMLJJUAQMXXBBE-UHFFFAOYSA-N 1 1 342.447 0.095 20 30 ECEDMO C=CCN1CCN(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000840001721 587060620 /nfs/dbraw/zinc/06/06/20/587060620.db2.gz ADLBNWNKHFXSAZ-QGZVFWFLSA-N 1 1 335.496 0.969 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[C@H]1CCCO1 ZINC000809303797 587173114 /nfs/dbraw/zinc/17/31/14/587173114.db2.gz BNPRNMXEEPMEEN-HRCADAONSA-N 1 1 335.448 0.378 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000809313675 587175295 /nfs/dbraw/zinc/17/52/95/587175295.db2.gz UQGTWPPKZQAJSZ-GJZGRUSLSA-N 1 1 335.448 0.616 20 30 ECEDMO CC(=NNCCC[NH+]1CCOCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000811648523 587223143 /nfs/dbraw/zinc/22/31/43/587223143.db2.gz UEOAANAPFNMGJU-UHFFFAOYSA-N 1 1 345.403 0.252 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000815063055 587281875 /nfs/dbraw/zinc/28/18/75/587281875.db2.gz UWUZPAKBHSMHIR-ZIAGYGMSSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000815063055 587281877 /nfs/dbraw/zinc/28/18/77/587281877.db2.gz UWUZPAKBHSMHIR-ZIAGYGMSSA-N 1 1 339.436 0.740 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCCOCCC#N)CC1=O ZINC000815239875 587284425 /nfs/dbraw/zinc/28/44/25/587284425.db2.gz UNEKVNWWNZGJOB-LSDHHAIUSA-N 1 1 337.420 0.793 20 30 ECEDMO N#Cc1ccc(CN2CC[C@H](NC(=O)C[NH+]3CCCC3)C2=O)cc1 ZINC000822406005 587657881 /nfs/dbraw/zinc/65/78/81/587657881.db2.gz ACGBFVZOSJIONL-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)C2(C#N)CCSCC2)C1 ZINC000823811677 587744141 /nfs/dbraw/zinc/74/41/41/587744141.db2.gz ZHJKIFWHLZLDEG-UHFFFAOYSA-N 1 1 341.477 0.829 20 30 ECEDMO N#Cc1cnn2cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cnc12 ZINC000827048320 588097196 /nfs/dbraw/zinc/09/71/96/588097196.db2.gz NVPZELNZTDVBER-UHFFFAOYSA-N 1 1 347.322 0.668 20 30 ECEDMO N#CC1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC000827706820 588136406 /nfs/dbraw/zinc/13/64/06/588136406.db2.gz MAXGULKBBXJIBX-GJZGRUSLSA-N 1 1 348.447 0.556 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000829514268 588327958 /nfs/dbraw/zinc/32/79/58/588327958.db2.gz UCNRJXRUDZDLFS-INIZCTEOSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1 ZINC000829583179 588331152 /nfs/dbraw/zinc/33/11/52/588331152.db2.gz XQOQZHVKPSFPAN-QWHCGFSZSA-N 1 1 325.409 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1 ZINC000829583179 588331153 /nfs/dbraw/zinc/33/11/53/588331153.db2.gz XQOQZHVKPSFPAN-QWHCGFSZSA-N 1 1 325.409 0.086 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000846731337 589221438 /nfs/dbraw/zinc/22/14/38/589221438.db2.gz IDIOYDJEWWKDEK-QGZVFWFLSA-N 1 1 327.428 0.901 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000846731337 589221440 /nfs/dbraw/zinc/22/14/40/589221440.db2.gz IDIOYDJEWWKDEK-QGZVFWFLSA-N 1 1 327.428 0.901 20 30 ECEDMO C#C[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000847307754 589241093 /nfs/dbraw/zinc/24/10/93/589241093.db2.gz YHYXGIQQONJRKV-JKSUJKDBSA-N 1 1 334.464 0.984 20 30 ECEDMO C[NH+]=C(NCCCCN1CCN(c2ncccn2)CC1)NC1CC1 ZINC000849053218 589318937 /nfs/dbraw/zinc/31/89/37/589318937.db2.gz NECMXBLDKLRXJW-UHFFFAOYSA-N 1 1 331.468 0.706 20 30 ECEDMO C=CCNC(=O)CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849578776 589341991 /nfs/dbraw/zinc/34/19/91/589341991.db2.gz XQNBEOGXJVOWAV-JKSUJKDBSA-N 1 1 347.463 0.652 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000850712186 589381426 /nfs/dbraw/zinc/38/14/26/589381426.db2.gz KGZJOXRHJHHFKP-KRWDZBQOSA-N 1 1 349.475 0.675 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851870515 589430000 /nfs/dbraw/zinc/43/00/00/589430000.db2.gz GUVRMYYSHBQGDW-KRWDZBQOSA-N 1 1 342.403 0.101 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331909 589491494 /nfs/dbraw/zinc/49/14/94/589491494.db2.gz DRTWDCFODMWPPS-FUHWJXTLSA-N 1 1 332.448 0.878 20 30 ECEDMO Cc1cc(NCC[S@@](C)=O)c(C#N)c(NCC[S@](C)=O)[nH+]1 ZINC000853345253 589541437 /nfs/dbraw/zinc/54/14/37/589541437.db2.gz PEGOLXWKAUUTPL-RTWAWAEBSA-N 1 1 328.463 0.843 20 30 ECEDMO CCN(C(=O)NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@@H+](CC)C1 ZINC000853713047 589556041 /nfs/dbraw/zinc/55/60/41/589556041.db2.gz NDXPUBIUFWEQCU-PVEMMZBWSA-N 1 1 349.435 0.639 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CON=C[C@@H]2CCCO2)C1 ZINC000853753331 589557613 /nfs/dbraw/zinc/55/76/13/589557613.db2.gz HPCCYZITKIRGAJ-LSDHHAIUSA-N 1 1 327.425 0.641 20 30 ECEDMO C#CCN1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000111661447 589561890 /nfs/dbraw/zinc/56/18/90/589561890.db2.gz QGKFQGXTRCDWLH-LJQANCHMSA-N 1 1 340.471 0.753 20 30 ECEDMO C#CCCN(CCOC)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000856391083 589662518 /nfs/dbraw/zinc/66/25/18/589662518.db2.gz NAHWWLUYKYXLFM-IAGOWNOFSA-N 1 1 332.448 0.954 20 30 ECEDMO CCc1noc(C[C@]2(O)CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)n1 ZINC000856678558 589670122 /nfs/dbraw/zinc/67/01/22/589670122.db2.gz WJRUMZIZPDMJCJ-QGZVFWFLSA-N 1 1 349.435 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000857368025 589694943 /nfs/dbraw/zinc/69/49/43/589694943.db2.gz XZUQZUBJDQQQIA-DLBZAZTESA-N 1 1 330.432 0.790 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000857368025 589694945 /nfs/dbraw/zinc/69/49/45/589694945.db2.gz XZUQZUBJDQQQIA-DLBZAZTESA-N 1 1 330.432 0.790 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000858283962 589737600 /nfs/dbraw/zinc/73/76/00/589737600.db2.gz VKJLBLRRTAHWBQ-LSDHHAIUSA-N 1 1 338.452 0.267 20 30 ECEDMO C#C[C@H](NC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)[C@@H]1CCCO1 ZINC000868514418 589911578 /nfs/dbraw/zinc/91/15/78/589911578.db2.gz WUZJLFJTENDMKP-IRXDYDNUSA-N 1 1 334.464 0.589 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000862191735 589929432 /nfs/dbraw/zinc/92/94/32/589929432.db2.gz FXVKTMMGZAZEPM-CYBMUJFWSA-N 1 1 341.371 0.750 20 30 ECEDMO C#CCSCCNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000119159041 589972703 /nfs/dbraw/zinc/97/27/03/589972703.db2.gz ZMOQLAHAKCTBKS-OAHLLOKOSA-N 1 1 326.510 0.924 20 30 ECEDMO Cc1cc(C=Nn2ccc(=O)[nH]c2=O)c(C)n1CC[NH+]1CCOCC1 ZINC000863184567 589992183 /nfs/dbraw/zinc/99/21/83/589992183.db2.gz MOTZXQLGWCJTJO-UHFFFAOYSA-N 1 1 345.403 0.582 20 30 ECEDMO C#CCN(CC(=O)NCC[N@H+]1CC[C@@H](O)C1)C(=O)OC(C)(C)C ZINC000863315874 590001771 /nfs/dbraw/zinc/00/17/71/590001771.db2.gz HDGLPIRLZRQJDQ-CYBMUJFWSA-N 1 1 325.409 0.040 20 30 ECEDMO COc1cc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1C#N ZINC000872255350 590108570 /nfs/dbraw/zinc/10/85/70/590108570.db2.gz CKFAEPGESLZTCS-UXLLHSPISA-N 1 1 342.399 0.934 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCNC(=O)CC23CCOCC3)cc1 ZINC000872286562 590110914 /nfs/dbraw/zinc/11/09/14/590110914.db2.gz KYANPJPHQQPKSU-INIZCTEOSA-N 1 1 329.400 0.963 20 30 ECEDMO C=CC(C)(C)CCCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000874977610 590260383 /nfs/dbraw/zinc/26/03/83/590260383.db2.gz WDVBMAVCXILHKZ-UHFFFAOYSA-N 1 1 325.453 0.934 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000875124107 590273285 /nfs/dbraw/zinc/27/32/85/590273285.db2.gz YPKFYCKCDQWKRQ-BZUAXINKSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000875916223 590346149 /nfs/dbraw/zinc/34/61/49/590346149.db2.gz DCMOCBKOKIUACA-LSDHHAIUSA-N 1 1 325.453 0.901 20 30 ECEDMO C#CC[C@H](COC)NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000875923586 590346777 /nfs/dbraw/zinc/34/67/77/590346777.db2.gz JEAVKMDSMJZBKS-IEBWSBKVSA-N 1 1 345.443 0.961 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nnnn2C)CC1 ZINC000879915756 590350418 /nfs/dbraw/zinc/35/04/18/590350418.db2.gz QEFBSZLCAMPHHZ-MLGOLLRUSA-N 1 1 333.440 0.832 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)C1=O ZINC000879974560 590357194 /nfs/dbraw/zinc/35/71/94/590357194.db2.gz HZQXEWXQFBNFPI-TWMKSMIVSA-N 1 1 349.475 0.905 20 30 ECEDMO COC(=O)[C@]1(O)CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880566418 590405668 /nfs/dbraw/zinc/40/56/68/590405668.db2.gz JOPXTUGVLAWZQY-QAPCUYQASA-N 1 1 343.383 0.663 20 30 ECEDMO COC(=O)[C@]1(O)CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880566418 590405671 /nfs/dbraw/zinc/40/56/71/590405671.db2.gz JOPXTUGVLAWZQY-QAPCUYQASA-N 1 1 343.383 0.663 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881251815 590443170 /nfs/dbraw/zinc/44/31/70/590443170.db2.gz OTWRSLOJOMQMKO-HNNXBMFYSA-N 1 1 348.451 0.551 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000877892795 590485151 /nfs/dbraw/zinc/48/51/51/590485151.db2.gz FBIINDSPQZGKGJ-MSOLQXFVSA-N 1 1 347.459 0.391 20 30 ECEDMO C=CC[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCC(=O)OCC)CC1 ZINC000878286803 590512566 /nfs/dbraw/zinc/51/25/66/590512566.db2.gz NHCYZYMHEFIGJW-CYBMUJFWSA-N 1 1 326.393 0.495 20 30 ECEDMO C[N@@H+](C[C@@H](O)CC1(O)CCOCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000878800903 590543120 /nfs/dbraw/zinc/54/31/20/590543120.db2.gz IZSOSSSWFMNRTJ-DLBZAZTESA-N 1 1 334.416 0.816 20 30 ECEDMO C#CCCCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883511845 590623476 /nfs/dbraw/zinc/62/34/76/590623476.db2.gz ZSKDMKQSHGFRTH-QGZVFWFLSA-N 1 1 336.480 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000884057190 590723471 /nfs/dbraw/zinc/72/34/71/590723471.db2.gz YKRGUELZSPDBRX-OAHLLOKOSA-N 1 1 349.456 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000884057190 590723473 /nfs/dbraw/zinc/72/34/73/590723473.db2.gz YKRGUELZSPDBRX-OAHLLOKOSA-N 1 1 349.456 0.987 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCNC(=O)c2cccs2)C1 ZINC000884080033 590735122 /nfs/dbraw/zinc/73/51/22/590735122.db2.gz IMFAANKVQISBRZ-ZDUSSCGKSA-N 1 1 334.445 0.875 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCNC(=O)c2cccs2)C1 ZINC000884080033 590735124 /nfs/dbraw/zinc/73/51/24/590735124.db2.gz IMFAANKVQISBRZ-ZDUSSCGKSA-N 1 1 334.445 0.875 20 30 ECEDMO COCC(COC)[NH+]1CCN(C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886244935 590818495 /nfs/dbraw/zinc/81/84/95/590818495.db2.gz FMYXBOIFCSQOEC-INIZCTEOSA-N 1 1 325.453 0.710 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000886353303 590834581 /nfs/dbraw/zinc/83/45/81/590834581.db2.gz GIRYRSXYKYVVFX-HNNXBMFYSA-N 1 1 329.400 0.909 20 30 ECEDMO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000886353505 590834661 /nfs/dbraw/zinc/83/46/61/590834661.db2.gz KLWBCSFANRGCDS-RRFJBIMHSA-N 1 1 326.462 0.756 20 30 ECEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000886353505 590834664 /nfs/dbraw/zinc/83/46/64/590834664.db2.gz KLWBCSFANRGCDS-RRFJBIMHSA-N 1 1 326.462 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](Nc2cc(C)nc3nc(C(=O)OC)nn32)C1 ZINC000884613472 590871799 /nfs/dbraw/zinc/87/17/99/590871799.db2.gz NKMCPLSFXSYPHT-GFCCVEGCSA-N 1 1 328.376 0.729 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)CC1 ZINC000886799316 590884441 /nfs/dbraw/zinc/88/44/41/590884441.db2.gz PNVYGVNPIFFDDK-AWEZNQCLSA-N 1 1 333.354 0.011 20 30 ECEDMO C[C@]1(C#N)CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000887676583 590991186 /nfs/dbraw/zinc/99/11/86/590991186.db2.gz GUQCZVCACHTKNE-ROUUACIJSA-N 1 1 329.400 0.764 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(CC#N)n2)C[N@H+]1C1CC1 ZINC000890002039 591117938 /nfs/dbraw/zinc/11/79/38/591117938.db2.gz AQIKIVJXKKCYFU-WCQYABFASA-N 1 1 327.388 0.828 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000890365650 591151651 /nfs/dbraw/zinc/15/16/51/591151651.db2.gz XHORXZXSHJYWIY-LXZKKBNFSA-N 1 1 329.400 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000890365650 591151654 /nfs/dbraw/zinc/15/16/54/591151654.db2.gz XHORXZXSHJYWIY-LXZKKBNFSA-N 1 1 329.400 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)Cc2nnc3ccccn32)C1 ZINC000890371445 591155126 /nfs/dbraw/zinc/15/51/26/591155126.db2.gz VPLCHCRGQNLKIJ-CQSZACIVSA-N 1 1 326.404 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2nnc3ccccn32)C1 ZINC000890371445 591155127 /nfs/dbraw/zinc/15/51/27/591155127.db2.gz VPLCHCRGQNLKIJ-CQSZACIVSA-N 1 1 326.404 0.968 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(CC#N)n3)CC[C@@H]21 ZINC000890431053 591158447 /nfs/dbraw/zinc/15/84/47/591158447.db2.gz ZDPFESLLPQMACT-JSGCOSHPSA-N 1 1 327.388 0.639 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)CC[C@@H]2C1 ZINC000946580650 611352885 /nfs/dbraw/zinc/35/28/85/611352885.db2.gz GYTKFRYVBWVTSK-IYBDPMFKSA-N 1 1 345.447 0.732 20 30 ECEDMO N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597917 611359518 /nfs/dbraw/zinc/35/95/18/611359518.db2.gz PYKMCXQGRQMVEM-TWMKSMIVSA-N 1 1 332.448 0.544 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)CC[C@@H]2C1 ZINC000946620956 611369931 /nfs/dbraw/zinc/36/99/31/611369931.db2.gz CWXIRIXKEKXFCO-IYBDPMFKSA-N 1 1 327.432 0.959 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)S(C)(=O)=O)CC[C@@H]2C1 ZINC000946639945 611381347 /nfs/dbraw/zinc/38/13/47/611381347.db2.gz LKAMPEDXQAUVEW-SOUVJXGZSA-N 1 1 326.462 0.613 20 30 ECEDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000930031355 611381817 /nfs/dbraw/zinc/38/18/17/611381817.db2.gz FVPCAJSRWBNBJS-INIZCTEOSA-N 1 1 349.479 0.279 20 30 ECEDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000930031355 611381822 /nfs/dbraw/zinc/38/18/22/611381822.db2.gz FVPCAJSRWBNBJS-INIZCTEOSA-N 1 1 349.479 0.279 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000930118323 611392407 /nfs/dbraw/zinc/39/24/07/611392407.db2.gz HBNNMYUGMFZNGC-UHFFFAOYSA-N 1 1 338.477 0.936 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CC(=O)NC)[C@H](C)C2)CC1 ZINC000948071574 611408517 /nfs/dbraw/zinc/40/85/17/611408517.db2.gz ZANAMXTUCOPMAH-ZBFHGGJFSA-N 1 1 334.464 0.047 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)CC[C@@H]2C1 ZINC000946690382 611415882 /nfs/dbraw/zinc/41/58/82/611415882.db2.gz OVRHAUBXSPZGCD-LZWOXQAQSA-N 1 1 341.415 0.169 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000948102606 611429166 /nfs/dbraw/zinc/42/91/66/611429166.db2.gz PNZUQWUOLZVVGB-NSHDSACASA-N 1 1 333.392 0.617 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CCn1cncn1 ZINC000947170335 611440689 /nfs/dbraw/zinc/44/06/89/611440689.db2.gz FNCFRILVEPYYHK-OCCSQVGLSA-N 1 1 327.392 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](N2C(=O)N[C@@H](Cc3ccccc3O)C2=O)C1 ZINC000925315330 611467990 /nfs/dbraw/zinc/46/79/90/611467990.db2.gz BZCMKIOGQSSPIO-CABCVRRESA-N 1 1 327.384 0.953 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@@H](Cc3ccccc3O)C2=O)C1 ZINC000925315330 611467993 /nfs/dbraw/zinc/46/79/93/611467993.db2.gz BZCMKIOGQSSPIO-CABCVRRESA-N 1 1 327.384 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@@H]([C@H](O)c3cccnc3)C2=O)C1 ZINC000925315295 611468093 /nfs/dbraw/zinc/46/80/93/611468093.db2.gz BKXQWROKPYOLES-SOUVJXGZSA-N 1 1 328.372 0.133 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H]([C@H](O)c3cccnc3)C2=O)C1 ZINC000925315295 611468097 /nfs/dbraw/zinc/46/80/97/611468097.db2.gz BKXQWROKPYOLES-SOUVJXGZSA-N 1 1 328.372 0.133 20 30 ECEDMO C=CCC[C@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1=O ZINC000925347750 611473789 /nfs/dbraw/zinc/47/37/89/611473789.db2.gz ZZINOFNJBBOCOK-IZGVIRRGSA-N 1 1 348.447 0.957 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1=O ZINC000925371833 611475618 /nfs/dbraw/zinc/47/56/18/611475618.db2.gz QUTBIZKQZPDGJV-SJORKVTESA-N 1 1 340.427 0.746 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1=O ZINC000925371833 611475620 /nfs/dbraw/zinc/47/56/20/611475620.db2.gz QUTBIZKQZPDGJV-SJORKVTESA-N 1 1 340.427 0.746 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2CC1 ZINC000946786855 611478265 /nfs/dbraw/zinc/47/82/65/611478265.db2.gz SIHMJTONYFBXGS-QXSJWSMHSA-N 1 1 335.448 0.494 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000930898134 611481566 /nfs/dbraw/zinc/48/15/66/611481566.db2.gz XAEFESQCMXPDHY-KBPBESRZSA-N 1 1 332.404 0.625 20 30 ECEDMO C=CCCCCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000930948645 611486740 /nfs/dbraw/zinc/48/67/40/611486740.db2.gz JHGBZRFVMNIIDP-HOTGVXAUSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000930991491 611494278 /nfs/dbraw/zinc/49/42/78/611494278.db2.gz FDVBBTRUDJVJRH-HNNXBMFYSA-N 1 1 339.436 0.065 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](CNC(=O)NC)C2)cc1 ZINC000931166209 611512877 /nfs/dbraw/zinc/51/28/77/611512877.db2.gz CZRFASZSENLXSJ-MRXNPFEDSA-N 1 1 344.415 0.626 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](CNC(=O)NC)C2)cc1 ZINC000931166209 611512878 /nfs/dbraw/zinc/51/28/78/611512878.db2.gz CZRFASZSENLXSJ-MRXNPFEDSA-N 1 1 344.415 0.626 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCc2ccncc2)CC1 ZINC000931347767 611532338 /nfs/dbraw/zinc/53/23/38/611532338.db2.gz ZRIANVIIEQHLGH-OAHLLOKOSA-N 1 1 345.447 0.642 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@H+](C)[C@H](CO)C1 ZINC000931406903 611538479 /nfs/dbraw/zinc/53/84/79/611538479.db2.gz SGCFLVBBECVSMD-LPMVOBIJSA-N 1 1 336.480 0.914 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000931406903 611538481 /nfs/dbraw/zinc/53/84/81/611538481.db2.gz SGCFLVBBECVSMD-LPMVOBIJSA-N 1 1 336.480 0.914 20 30 ECEDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000931601033 611553050 /nfs/dbraw/zinc/55/30/50/611553050.db2.gz SGCPEKKBQMCPCN-CQSZACIVSA-N 1 1 332.379 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2OCC(N)=O)C[C@@H]1C ZINC000947523902 611579710 /nfs/dbraw/zinc/57/97/10/611579710.db2.gz KPVXVAQZIZHMPH-UONOGXRCSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC000948416547 611582815 /nfs/dbraw/zinc/58/28/15/611582815.db2.gz IRNQOAPEILRWFN-LSDHHAIUSA-N 1 1 333.432 0.860 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000948419085 611585235 /nfs/dbraw/zinc/58/52/35/611585235.db2.gz WRAQYKSYBPECQC-WFASDCNBSA-N 1 1 343.431 0.805 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@@H]1C ZINC000947593740 611610976 /nfs/dbraw/zinc/61/09/76/611610976.db2.gz QLQWTKGEXYHDDP-GJZGRUSLSA-N 1 1 341.415 0.488 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC000937350084 608609398 /nfs/dbraw/zinc/60/93/98/608609398.db2.gz PBMLCLRFPXIDHN-VNQPRFMTSA-N 1 1 333.432 0.178 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC000937350084 608609400 /nfs/dbraw/zinc/60/94/00/608609400.db2.gz PBMLCLRFPXIDHN-VNQPRFMTSA-N 1 1 333.432 0.178 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cn3cc(C)cn3)CC2)C1 ZINC000949314421 608630276 /nfs/dbraw/zinc/63/02/76/608630276.db2.gz SMLWEOZATBOLSF-UHFFFAOYSA-N 1 1 330.432 0.908 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)Cn3cc(C)cn3)CC2)C1 ZINC000949314421 608630280 /nfs/dbraw/zinc/63/02/80/608630280.db2.gz SMLWEOZATBOLSF-UHFFFAOYSA-N 1 1 330.432 0.908 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 ZINC000949446946 608681763 /nfs/dbraw/zinc/68/17/63/608681763.db2.gz GVHFUKPVATXIOA-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933099285 608712169 /nfs/dbraw/zinc/71/21/69/608712169.db2.gz BOQCZQLVDRYJQG-CQSZACIVSA-N 1 1 334.445 0.822 20 30 ECEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933099285 608712172 /nfs/dbraw/zinc/71/21/72/608712172.db2.gz BOQCZQLVDRYJQG-CQSZACIVSA-N 1 1 334.445 0.822 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000948560808 611654582 /nfs/dbraw/zinc/65/45/82/611654582.db2.gz FUOURWGHQJGFIL-MRXNPFEDSA-N 1 1 336.480 0.649 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000936915474 608732805 /nfs/dbraw/zinc/73/28/05/608732805.db2.gz ZNJRPWNZQAFJHA-CABCVRRESA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000947227639 608738803 /nfs/dbraw/zinc/73/88/03/608738803.db2.gz BRFCEMYEBKCYST-VVLHAWIVSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000947227639 608738805 /nfs/dbraw/zinc/73/88/05/608738805.db2.gz BRFCEMYEBKCYST-VVLHAWIVSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](Cc3nc(C)no3)C2)CC1 ZINC000933575546 608762595 /nfs/dbraw/zinc/76/25/95/608762595.db2.gz NGPDFIMZKUGARR-MRXNPFEDSA-N 1 1 345.447 0.410 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](Cc3nc(C)no3)C2)CC1 ZINC000933575546 608762597 /nfs/dbraw/zinc/76/25/97/608762597.db2.gz NGPDFIMZKUGARR-MRXNPFEDSA-N 1 1 345.447 0.410 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2csnn2)CC1 ZINC000947228794 608780318 /nfs/dbraw/zinc/78/03/18/608780318.db2.gz ZKKKGUZQANHHBS-AWEZNQCLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2csnn2)CC1 ZINC000947228794 608780320 /nfs/dbraw/zinc/78/03/20/608780320.db2.gz ZKKKGUZQANHHBS-AWEZNQCLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cnsn2)CC1 ZINC000947229463 608791692 /nfs/dbraw/zinc/79/16/92/608791692.db2.gz CCUGPIVMQANNPF-AWEZNQCLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cnsn2)CC1 ZINC000947229463 608791694 /nfs/dbraw/zinc/79/16/94/608791694.db2.gz CCUGPIVMQANNPF-AWEZNQCLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1C ZINC000947496834 608813652 /nfs/dbraw/zinc/81/36/52/608813652.db2.gz DLKRQWFIVJVNSZ-WDEREUQCSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3sccn3c2=O)C[C@@H]1C ZINC000947514764 608849803 /nfs/dbraw/zinc/84/98/03/608849803.db2.gz AMNUYSLTFGVQEA-RYUDHWBXSA-N 1 1 330.413 0.972 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000947625012 608930791 /nfs/dbraw/zinc/93/07/91/608930791.db2.gz PNKNZZFESFIESX-MNOVXSKESA-N 1 1 345.432 0.926 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000947625012 608930792 /nfs/dbraw/zinc/93/07/92/608930792.db2.gz PNKNZZFESFIESX-MNOVXSKESA-N 1 1 345.432 0.926 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000177523955 608935631 /nfs/dbraw/zinc/93/56/31/608935631.db2.gz MXGFSCKPFZCYLY-UHFFFAOYSA-N 1 1 329.400 0.522 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937178063 609023426 /nfs/dbraw/zinc/02/34/26/609023426.db2.gz ZVODLCZDUCYAMP-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000937220766 609059321 /nfs/dbraw/zinc/05/93/21/609059321.db2.gz URNIGPRDAIXFDT-IRXDYDNUSA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000937220766 609059323 /nfs/dbraw/zinc/05/93/23/609059323.db2.gz URNIGPRDAIXFDT-IRXDYDNUSA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000936370800 609100937 /nfs/dbraw/zinc/10/09/37/609100937.db2.gz OJXKNAKBNGPKNE-OLZOCXBDSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000936370800 609100940 /nfs/dbraw/zinc/10/09/40/609100940.db2.gz OJXKNAKBNGPKNE-OLZOCXBDSA-N 1 1 327.375 0.799 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)c3)[C@@H](C)C2)nn1 ZINC000947792829 611693123 /nfs/dbraw/zinc/69/31/23/611693123.db2.gz SROJMTHKBSBUDK-DZGCQCFKSA-N 1 1 343.435 0.981 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000937984204 609438822 /nfs/dbraw/zinc/43/88/22/609438822.db2.gz MHEMRLWWDIGUJL-ZNMIVQPWSA-N 1 1 332.404 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccsn2)C1 ZINC000938157949 609469758 /nfs/dbraw/zinc/46/97/58/609469758.db2.gz NCGMMOPJYVRGRB-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccsn2)C1 ZINC000938157949 609469759 /nfs/dbraw/zinc/46/97/59/609469759.db2.gz NCGMMOPJYVRGRB-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC000938170359 609481789 /nfs/dbraw/zinc/48/17/89/609481789.db2.gz GPZHCKJQMDYICH-KBPBESRZSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC000938170359 609481791 /nfs/dbraw/zinc/48/17/91/609481791.db2.gz GPZHCKJQMDYICH-KBPBESRZSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC000938170811 609482626 /nfs/dbraw/zinc/48/26/26/609482626.db2.gz NOXPWULSNRCBQK-GJZGRUSLSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC000938170811 609482628 /nfs/dbraw/zinc/48/26/28/609482628.db2.gz NOXPWULSNRCBQK-GJZGRUSLSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000938170514 609482774 /nfs/dbraw/zinc/48/27/74/609482774.db2.gz IYKNNKHPOHUWQX-IIAQQRLMSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000938170514 609482778 /nfs/dbraw/zinc/48/27/78/609482778.db2.gz IYKNNKHPOHUWQX-IIAQQRLMSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000938171139 609483458 /nfs/dbraw/zinc/48/34/58/609483458.db2.gz XOAZJOSRSSLFCT-IHRRRGAJSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000938171139 609483460 /nfs/dbraw/zinc/48/34/60/609483460.db2.gz XOAZJOSRSSLFCT-IHRRRGAJSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000938172347 609484855 /nfs/dbraw/zinc/48/48/55/609484855.db2.gz VNFQWIWDUJXYPI-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000938172347 609484858 /nfs/dbraw/zinc/48/48/58/609484858.db2.gz VNFQWIWDUJXYPI-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncnc2C)C1 ZINC000938172174 609484872 /nfs/dbraw/zinc/48/48/72/609484872.db2.gz QTLYXFITPMXJKF-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncnc2C)C1 ZINC000938172174 609484874 /nfs/dbraw/zinc/48/48/74/609484874.db2.gz QTLYXFITPMXJKF-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2C)s1 ZINC000928571997 611702830 /nfs/dbraw/zinc/70/28/30/611702830.db2.gz UHMHRPIJOKGGSF-NSHDSACASA-N 1 1 343.474 0.575 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908013368 609636820 /nfs/dbraw/zinc/63/68/20/609636820.db2.gz BHLLHPMDEKHRRW-ILXRZTDVSA-N 1 1 344.481 0.244 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000908014328 609637458 /nfs/dbraw/zinc/63/74/58/609637458.db2.gz HXPPNPQJTRNUFX-IRXDYDNUSA-N 1 1 349.456 0.972 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000908014328 609637460 /nfs/dbraw/zinc/63/74/60/609637460.db2.gz HXPPNPQJTRNUFX-IRXDYDNUSA-N 1 1 349.456 0.972 20 30 ECEDMO C[C@H](CNC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000919733289 609661702 /nfs/dbraw/zinc/66/17/02/609661702.db2.gz MCJHFZXGHDXABI-OAGGEKHMSA-N 1 1 337.468 0.582 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921322486 609703211 /nfs/dbraw/zinc/70/32/11/609703211.db2.gz SZBMMRYMQHRXNN-MCIONIFRSA-N 1 1 346.522 0.882 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921322486 609703212 /nfs/dbraw/zinc/70/32/12/609703212.db2.gz SZBMMRYMQHRXNN-MCIONIFRSA-N 1 1 346.522 0.882 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000947760830 609732481 /nfs/dbraw/zinc/73/24/81/609732481.db2.gz AFRSEHVHKWSHAU-ZIAGYGMSSA-N 1 1 348.447 0.633 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1 ZINC000923594556 609741019 /nfs/dbraw/zinc/74/10/19/609741019.db2.gz CDZUAKYOYKBRRC-JKSUJKDBSA-N 1 1 328.416 0.480 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1 ZINC000923594556 609741020 /nfs/dbraw/zinc/74/10/20/609741020.db2.gz CDZUAKYOYKBRRC-JKSUJKDBSA-N 1 1 328.416 0.480 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000938373279 609759532 /nfs/dbraw/zinc/75/95/32/609759532.db2.gz MQVKOJFVQSNBEE-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000938393488 609773094 /nfs/dbraw/zinc/77/30/94/609773094.db2.gz UKTGYPHDNDVHPU-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000938393488 609773095 /nfs/dbraw/zinc/77/30/95/609773095.db2.gz UKTGYPHDNDVHPU-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C#N)C2)CC1 ZINC000914116237 609855354 /nfs/dbraw/zinc/85/53/54/609855354.db2.gz OHWNICWCYZXZLK-AWEZNQCLSA-N 1 1 335.452 0.922 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000938586588 609882044 /nfs/dbraw/zinc/88/20/44/609882044.db2.gz ANPVXDWZYMALFQ-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000938586588 609882046 /nfs/dbraw/zinc/88/20/46/609882046.db2.gz ANPVXDWZYMALFQ-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)NCC[N@@H+]2CCCOCC2)cs1 ZINC000914415344 609885791 /nfs/dbraw/zinc/88/57/91/609885791.db2.gz OXWIDSKJEQTZBB-UHFFFAOYSA-N 1 1 329.447 0.761 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)NCC[N@H+]2CCCOCC2)cs1 ZINC000914415344 609885793 /nfs/dbraw/zinc/88/57/93/609885793.db2.gz OXWIDSKJEQTZBB-UHFFFAOYSA-N 1 1 329.447 0.761 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000916812375 609949639 /nfs/dbraw/zinc/94/96/39/609949639.db2.gz FSARJHZEXWFSBZ-JKSUJKDBSA-N 1 1 349.456 0.756 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000917042701 609957883 /nfs/dbraw/zinc/95/78/83/609957883.db2.gz BHADBFLWEUMCRT-MRXNPFEDSA-N 1 1 334.445 0.368 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000917042701 609957886 /nfs/dbraw/zinc/95/78/86/609957886.db2.gz BHADBFLWEUMCRT-MRXNPFEDSA-N 1 1 334.445 0.368 20 30 ECEDMO Cc1ncc(C=NNC(=S)NCCC[NH+]2CCOCC2)s1 ZINC000917535632 609976255 /nfs/dbraw/zinc/97/62/55/609976255.db2.gz HEUMUIYEZXZALW-UHFFFAOYSA-N 1 1 327.479 0.972 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C2=COCCC2)C1 ZINC000938756203 609981864 /nfs/dbraw/zinc/98/18/64/609981864.db2.gz KIBOASUQMHZHOA-IRXDYDNUSA-N 1 1 345.443 0.838 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C2=COCCC2)C1 ZINC000938756203 609981868 /nfs/dbraw/zinc/98/18/68/609981868.db2.gz KIBOASUQMHZHOA-IRXDYDNUSA-N 1 1 345.443 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccncn2)C1 ZINC000938756106 609981968 /nfs/dbraw/zinc/98/19/68/609981968.db2.gz HWCWFPSRFOEAAT-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccncn2)C1 ZINC000938756106 609981969 /nfs/dbraw/zinc/98/19/69/609981969.db2.gz HWCWFPSRFOEAAT-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000938889025 610013572 /nfs/dbraw/zinc/01/35/72/610013572.db2.gz VBWQGXHGQRWPGN-ZBFHGGJFSA-N 1 1 346.406 0.924 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000938889025 610013574 /nfs/dbraw/zinc/01/35/74/610013574.db2.gz VBWQGXHGQRWPGN-ZBFHGGJFSA-N 1 1 346.406 0.924 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000919044174 610029726 /nfs/dbraw/zinc/02/97/26/610029726.db2.gz MFTYDJIJOBMQBF-BZUAXINKSA-N 1 1 325.453 0.807 20 30 ECEDMO N#C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000919070863 610030639 /nfs/dbraw/zinc/03/06/39/610030639.db2.gz JEDFOBQVOGMMEL-HZPDHXFCSA-N 1 1 335.452 0.338 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000938904017 610036505 /nfs/dbraw/zinc/03/65/05/610036505.db2.gz WXSMXVKGAPVIEI-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)C(C)(C)C#N)C1 ZINC000919350851 610041678 /nfs/dbraw/zinc/04/16/78/610041678.db2.gz ZWEQRGRIWVOOKM-CYBMUJFWSA-N 1 1 325.409 0.552 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000939009665 610068039 /nfs/dbraw/zinc/06/80/39/610068039.db2.gz CSTBJKAYTGDYBE-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000939009665 610068040 /nfs/dbraw/zinc/06/80/40/610068040.db2.gz CSTBJKAYTGDYBE-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000939749739 610113609 /nfs/dbraw/zinc/11/36/09/610113609.db2.gz HZNABXACDPVSNN-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NCc3nccn3C)C2)CC1 ZINC000939811793 610137390 /nfs/dbraw/zinc/13/73/90/610137390.db2.gz UOZQFTSGAXABLH-WBVHZDCISA-N 1 1 343.475 0.702 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nnc(C)[nH]3)C2)nn1 ZINC000939277358 610146549 /nfs/dbraw/zinc/14/65/49/610146549.db2.gz ORJYCABWUJQWHS-PWSUYJOCSA-N 1 1 330.396 0.141 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nncs3)C2)nn1 ZINC000939292846 610149173 /nfs/dbraw/zinc/14/91/73/610149173.db2.gz NJBFCGGLNKAPFR-NWDGAFQWSA-N 1 1 347.448 0.956 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC000940106203 610209814 /nfs/dbraw/zinc/20/98/14/610209814.db2.gz XDDHJVMAMPDVBX-OLZOCXBDSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC000940106203 610209815 /nfs/dbraw/zinc/20/98/15/610209815.db2.gz XDDHJVMAMPDVBX-OLZOCXBDSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cn2cccn2)CC1 ZINC000940270749 610258980 /nfs/dbraw/zinc/25/89/80/610258980.db2.gz PSWKFUQPYFEYTJ-INIZCTEOSA-N 1 1 343.431 0.042 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cn2cccn2)CC1 ZINC000940270749 610258981 /nfs/dbraw/zinc/25/89/81/610258981.db2.gz PSWKFUQPYFEYTJ-INIZCTEOSA-N 1 1 343.431 0.042 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000940383637 610274317 /nfs/dbraw/zinc/27/43/17/610274317.db2.gz QQRCWISPSNZMDM-MIGQKNRLSA-N 1 1 346.431 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cscn2)C1 ZINC000940484589 610290205 /nfs/dbraw/zinc/29/02/05/610290205.db2.gz UKWNBDQDIMCSIJ-HIFRSBDPSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cscn2)C1 ZINC000940484589 610290206 /nfs/dbraw/zinc/29/02/06/610290206.db2.gz UKWNBDQDIMCSIJ-HIFRSBDPSA-N 1 1 346.456 0.500 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCn3ccccc3=O)CC2)C1 ZINC000941427579 610301421 /nfs/dbraw/zinc/30/14/21/610301421.db2.gz FRRLZLDBNATNCK-UHFFFAOYSA-N 1 1 344.459 0.643 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC000941432521 610312802 /nfs/dbraw/zinc/31/28/02/610312802.db2.gz CLWOQIAZDPLLEI-GOSISDBHSA-N 1 1 346.519 0.816 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000940647441 610322522 /nfs/dbraw/zinc/32/25/22/610322522.db2.gz VRJSOJZFBORRIH-CQSZACIVSA-N 1 1 343.431 0.903 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc4[nH]ccc4c3)CC2)C1 ZINC000941447158 610322659 /nfs/dbraw/zinc/32/26/59/610322659.db2.gz PNRXSSCUTFSCPB-UHFFFAOYSA-N 1 1 337.427 0.980 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3coc(OCC)n3)CC2)C1 ZINC000941475679 610331984 /nfs/dbraw/zinc/33/19/84/610331984.db2.gz UPBCPBILUQSIEJ-UHFFFAOYSA-N 1 1 332.404 0.539 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000941465072 610333828 /nfs/dbraw/zinc/33/38/28/610333828.db2.gz GCOGBUZZWWPTEV-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000941465072 610333830 /nfs/dbraw/zinc/33/38/30/610333830.db2.gz GCOGBUZZWWPTEV-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000941502229 610345558 /nfs/dbraw/zinc/34/55/58/610345558.db2.gz MYDONQUBJPSDCK-HNNXBMFYSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)CC2)C1 ZINC000941502132 610345782 /nfs/dbraw/zinc/34/57/82/610345782.db2.gz KJFLMOMRDIPGQN-AWEZNQCLSA-N 1 1 345.447 0.542 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C(C)(C)C1 ZINC000940783491 610360211 /nfs/dbraw/zinc/36/02/11/610360211.db2.gz YNCALPFBHRJFHP-UONOGXRCSA-N 1 1 333.432 0.764 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000940785230 610360774 /nfs/dbraw/zinc/36/07/74/610360774.db2.gz HWCSSZJSYGRSAS-CQSZACIVSA-N 1 1 343.493 0.815 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941533890 610365150 /nfs/dbraw/zinc/36/51/50/610365150.db2.gz JKJDCVCKDHPMKX-IRXDYDNUSA-N 1 1 332.492 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC000942287748 610388265 /nfs/dbraw/zinc/38/82/65/610388265.db2.gz IVEHZSIFEQJDBB-JTDSTZFVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC000942287748 610388267 /nfs/dbraw/zinc/38/82/67/610388267.db2.gz IVEHZSIFEQJDBB-JTDSTZFVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(COC)on3)CC2)C1 ZINC000941595125 610390343 /nfs/dbraw/zinc/39/03/43/610390343.db2.gz DVPYFGLVQKSPES-UHFFFAOYSA-N 1 1 332.404 0.286 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc4cccnn34)CC2)C1 ZINC000941595687 610390527 /nfs/dbraw/zinc/39/05/27/610390527.db2.gz MDMOOBWVLFMLLV-UHFFFAOYSA-N 1 1 338.415 0.195 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000941606555 610404657 /nfs/dbraw/zinc/40/46/57/610404657.db2.gz YEHZKGKJIWTKCD-CHWSQXEVSA-N 1 1 329.404 0.639 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C(C)(C)N3CCOCC3)CC2)C1 ZINC000941606893 610405065 /nfs/dbraw/zinc/40/50/65/610405065.db2.gz GSKSBFHGEPPEDK-UHFFFAOYSA-N 1 1 336.480 0.112 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc3sccn3c2=O)[C@@H](C)C1 ZINC000942341889 610412371 /nfs/dbraw/zinc/41/23/71/610412371.db2.gz CIXZVVHFTDHQKT-AAEUAGOBSA-N 1 1 330.413 0.829 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc4cccnn43)CC2)C1 ZINC000941596989 610413999 /nfs/dbraw/zinc/41/39/99/610413999.db2.gz WGKGBYOFYZHPQE-UHFFFAOYSA-N 1 1 337.427 0.800 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C3C[NH+](CC=C(C)C)C3)CC2)nn1 ZINC000941596822 610414265 /nfs/dbraw/zinc/41/42/65/610414265.db2.gz PZMJQSOWOWLCNA-UHFFFAOYSA-N 1 1 344.463 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccn(C)c2C)C1 ZINC000942358698 610417096 /nfs/dbraw/zinc/41/70/96/610417096.db2.gz MYKVFRPQODLWCR-WBVHZDCISA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccn(C)c2C)C1 ZINC000942358698 610417099 /nfs/dbraw/zinc/41/70/99/610417099.db2.gz MYKVFRPQODLWCR-WBVHZDCISA-N 1 1 342.443 0.762 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)c1 ZINC000942371184 610419347 /nfs/dbraw/zinc/41/93/47/610419347.db2.gz YLVVSFNHIRGDDP-MRXNPFEDSA-N 1 1 337.383 0.599 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000941654690 610430016 /nfs/dbraw/zinc/43/00/16/610430016.db2.gz LTELABMXFOXUQO-SFHVURJKSA-N 1 1 343.427 0.841 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cccc(NC(N)=O)c3)CC2)C1 ZINC000941661936 610430723 /nfs/dbraw/zinc/43/07/23/610430723.db2.gz MRFRSQMKLQCVDP-UHFFFAOYSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCN(C2C[NH+](CC=C)C2)CC1 ZINC000941643622 610437070 /nfs/dbraw/zinc/43/70/70/610437070.db2.gz WZWNGDLDPPASFP-UHFFFAOYSA-N 1 1 340.427 0.722 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC000941653454 610443149 /nfs/dbraw/zinc/44/31/49/610443149.db2.gz VCBUMNPFCOPKRI-INIZCTEOSA-N 1 1 334.464 0.402 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC000941653455 610443287 /nfs/dbraw/zinc/44/32/87/610443287.db2.gz VCBUMNPFCOPKRI-MRXNPFEDSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4nnn(C)c4c3)CC2)C1 ZINC000941653534 610443360 /nfs/dbraw/zinc/44/33/60/610443360.db2.gz XWWAPWBXAUTIQD-UHFFFAOYSA-N 1 1 340.431 0.596 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ncc4n3CCCC4)CC2)C1 ZINC000941670577 610444045 /nfs/dbraw/zinc/44/40/45/610444045.db2.gz XODUYWLFEBXMHU-UHFFFAOYSA-N 1 1 341.459 0.685 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4nnc(C)n4C3)CC2)C1 ZINC000941675100 610448088 /nfs/dbraw/zinc/44/80/88/610448088.db2.gz SZWZFBGYMDSUAD-HNNXBMFYSA-N 1 1 344.463 0.163 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000941678044 610451002 /nfs/dbraw/zinc/45/10/02/610451002.db2.gz UMGRHDZEKFIYGE-JKSUJKDBSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](CC)N3CCCC3=O)CC2)C1 ZINC000941665937 610457065 /nfs/dbraw/zinc/45/70/65/610457065.db2.gz KYHKKIOJAPOKAR-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C#CC3CC3)C1)C2 ZINC000942433599 610458403 /nfs/dbraw/zinc/45/84/03/610458403.db2.gz BNIYVWZPOSTQLZ-HZPDHXFCSA-N 1 1 340.427 0.884 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)C1 ZINC000940987608 610483134 /nfs/dbraw/zinc/48/31/34/610483134.db2.gz NCIDEBULDCZJHS-KRWDZBQOSA-N 1 1 347.459 0.570 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)C1 ZINC000940987608 610483135 /nfs/dbraw/zinc/48/31/35/610483135.db2.gz NCIDEBULDCZJHS-KRWDZBQOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)CC2(C)C)c1 ZINC000941016083 610495077 /nfs/dbraw/zinc/49/50/77/610495077.db2.gz YRGVFJNPPCWXQJ-OAHLLOKOSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)CC2(C)C)c1 ZINC000941016083 610495078 /nfs/dbraw/zinc/49/50/78/610495078.db2.gz YRGVFJNPPCWXQJ-OAHLLOKOSA-N 1 1 328.416 0.639 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)CC1(C)C ZINC000941038579 610500524 /nfs/dbraw/zinc/50/05/24/610500524.db2.gz FTWPDPNQDSOHOE-ILXRZTDVSA-N 1 1 337.464 0.882 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](C)C1 ZINC000942530662 610501463 /nfs/dbraw/zinc/50/14/63/610501463.db2.gz UVZHMZNPSMQKRZ-UKRRQHHQSA-N 1 1 339.403 0.521 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC000947903104 610504370 /nfs/dbraw/zinc/50/43/70/610504370.db2.gz CTQYSJOOGNUUNB-OLZOCXBDSA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC000947903104 610504371 /nfs/dbraw/zinc/50/43/71/610504371.db2.gz CTQYSJOOGNUUNB-OLZOCXBDSA-N 1 1 332.404 0.714 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562416 610518765 /nfs/dbraw/zinc/51/87/65/610518765.db2.gz LDKOIEOJMHCJGN-SWLSCSKDSA-N 1 1 339.403 0.722 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2C)c1 ZINC000942618759 610537727 /nfs/dbraw/zinc/53/77/27/610537727.db2.gz WNOPSTJKGADSMS-WMLDXEAASA-N 1 1 338.415 0.795 20 30 ECEDMO C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929203 610566779 /nfs/dbraw/zinc/56/67/79/610566779.db2.gz JINJSFPFLPTUOO-FZMZJTMJSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929203 610566782 /nfs/dbraw/zinc/56/67/82/610566782.db2.gz JINJSFPFLPTUOO-FZMZJTMJSA-N 1 1 327.392 0.655 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000941163456 610570630 /nfs/dbraw/zinc/57/06/30/610570630.db2.gz KYNJMXLFPZIEGC-CYBMUJFWSA-N 1 1 344.419 0.824 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000941954076 610577913 /nfs/dbraw/zinc/57/79/13/610577913.db2.gz UKTGYPHDNDVHPU-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000941954076 610577914 /nfs/dbraw/zinc/57/79/14/610577914.db2.gz UKTGYPHDNDVHPU-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC000941179408 610578729 /nfs/dbraw/zinc/57/87/29/610578729.db2.gz KISCAVXKASEXQK-HNNXBMFYSA-N 1 1 343.431 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC000941179408 610578732 /nfs/dbraw/zinc/57/87/32/610578732.db2.gz KISCAVXKASEXQK-HNNXBMFYSA-N 1 1 343.431 0.490 20 30 ECEDMO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966855 610581558 /nfs/dbraw/zinc/58/15/58/610581558.db2.gz OHPNJJMHDPUWQM-TZMCWYRMSA-N 1 1 327.392 0.618 20 30 ECEDMO C[C@@H]1C[N@H+](CCS(C)(=O)=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964857 610587281 /nfs/dbraw/zinc/58/72/81/610587281.db2.gz UZKVKLVJOXURAF-BXUZGUMPSA-N 1 1 338.433 0.371 20 30 ECEDMO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964857 610587284 /nfs/dbraw/zinc/58/72/84/610587284.db2.gz UZKVKLVJOXURAF-BXUZGUMPSA-N 1 1 338.433 0.371 20 30 ECEDMO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000942728305 610588945 /nfs/dbraw/zinc/58/89/45/610588945.db2.gz CFCDTEWCNHREIL-GJZGRUSLSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2ccc[nH]2)CC1 ZINC000941241278 610614397 /nfs/dbraw/zinc/61/43/97/610614397.db2.gz APYGQSPPSJAEDH-KRWDZBQOSA-N 1 1 342.443 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2ccc[nH]2)CC1 ZINC000941241278 610614399 /nfs/dbraw/zinc/61/43/99/610614399.db2.gz APYGQSPPSJAEDH-KRWDZBQOSA-N 1 1 342.443 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000941245486 610616049 /nfs/dbraw/zinc/61/60/49/610616049.db2.gz PSGJYCSMZSLXHG-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000941245486 610616051 /nfs/dbraw/zinc/61/60/51/610616051.db2.gz PSGJYCSMZSLXHG-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC000941245782 610616494 /nfs/dbraw/zinc/61/64/94/610616494.db2.gz UUYXHDYOWNVTGR-XQQFMLRXSA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC000941245782 610616495 /nfs/dbraw/zinc/61/64/95/610616495.db2.gz UUYXHDYOWNVTGR-XQQFMLRXSA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000941237755 610621639 /nfs/dbraw/zinc/62/16/39/610621639.db2.gz IYKNNKHPOHUWQX-ZMJQMOPZSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000941237755 610621642 /nfs/dbraw/zinc/62/16/42/610621642.db2.gz IYKNNKHPOHUWQX-ZMJQMOPZSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC000941238133 610622348 /nfs/dbraw/zinc/62/23/48/610622348.db2.gz VNFQWIWDUJXYPI-OAGGEKHMSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC000941238133 610622350 /nfs/dbraw/zinc/62/23/50/610622350.db2.gz VNFQWIWDUJXYPI-OAGGEKHMSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)[C@H](C)C1 ZINC000942096594 610647881 /nfs/dbraw/zinc/64/78/81/610647881.db2.gz UNGLHSVSEBWSCF-CZUORRHYSA-N 1 1 329.400 0.624 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 ZINC000942102362 610651587 /nfs/dbraw/zinc/65/15/87/610651587.db2.gz XTNYHCINOIILNJ-KGLIPLIRSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2cnco2)C1 ZINC000942884516 610664121 /nfs/dbraw/zinc/66/41/21/610664121.db2.gz ULFUKZXLEUGRPL-GJZGRUSLSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2cnco2)C1 ZINC000942884516 610664124 /nfs/dbraw/zinc/66/41/24/610664124.db2.gz ULFUKZXLEUGRPL-GJZGRUSLSA-N 1 1 344.415 0.835 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2nc(OC)cc(OC)n2)[C@@H](C)C1 ZINC000942184013 610687484 /nfs/dbraw/zinc/68/74/84/610687484.db2.gz QCGBUJFZMNLQFZ-STQMWFEESA-N 1 1 332.404 0.957 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000942188804 610691121 /nfs/dbraw/zinc/69/11/21/610691121.db2.gz MTZKEYAELYRTPE-DGCLKSJQSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@H](C)C1 ZINC000942220612 610701382 /nfs/dbraw/zinc/70/13/82/610701382.db2.gz UJQINKWVSQFWOW-WBVHZDCISA-N 1 1 345.443 0.958 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000942245658 610717452 /nfs/dbraw/zinc/71/74/52/610717452.db2.gz NRCKUVCHKWNMJX-KCQAQPDRSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1CC[C@@H](C[NH+]2CC(N3CCN(C(=O)C#CC4CC4)CC3)C2)O1 ZINC000941406660 610721875 /nfs/dbraw/zinc/72/18/75/610721875.db2.gz DIHQWFARBLCXJB-QAPCUYQASA-N 1 1 331.460 0.796 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408644 610722572 /nfs/dbraw/zinc/72/25/72/610722572.db2.gz OPGMKDBPVTVCPT-CVEARBPZSA-N 1 1 331.464 0.213 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408647 610722748 /nfs/dbraw/zinc/72/27/48/610722748.db2.gz OPGMKDBPVTVCPT-JKSUJKDBSA-N 1 1 331.464 0.213 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@@H](C)C1 ZINC000944134160 610751154 /nfs/dbraw/zinc/75/11/54/610751154.db2.gz AZBOAZNBJOCFCH-JSGCOSHPSA-N 1 1 327.388 0.898 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@@H](C)C1 ZINC000944135337 610751802 /nfs/dbraw/zinc/75/18/02/610751802.db2.gz KYJUQXYJWJOSQZ-JSGCOSHPSA-N 1 1 327.388 0.898 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000943234332 610759977 /nfs/dbraw/zinc/75/99/77/610759977.db2.gz SBNCPYHBMSIPIU-DZGCQCFKSA-N 1 1 326.462 0.661 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000943265393 610768821 /nfs/dbraw/zinc/76/88/21/610768821.db2.gz SLUJSMMRDBBCNN-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2C)nc1 ZINC000944193067 610775850 /nfs/dbraw/zinc/77/58/50/610775850.db2.gz RAUPCZSTNOSHMN-GDBMZVCRSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]2C)cn1 ZINC000944214621 610786980 /nfs/dbraw/zinc/78/69/80/610786980.db2.gz MSGXLPZOZFZOPP-CXAGYDPISA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C[C@H]2C)cn1 ZINC000944214621 610786983 /nfs/dbraw/zinc/78/69/83/610786983.db2.gz MSGXLPZOZFZOPP-CXAGYDPISA-N 1 1 338.415 0.832 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](C)C1 ZINC000944809623 610794820 /nfs/dbraw/zinc/79/48/20/610794820.db2.gz FKFNHQHUWNZTBW-CMPLNLGQSA-N 1 1 327.812 0.715 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](C)C1 ZINC000944809623 610794822 /nfs/dbraw/zinc/79/48/22/610794822.db2.gz FKFNHQHUWNZTBW-CMPLNLGQSA-N 1 1 327.812 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C(F)F)C1 ZINC000943334893 610806970 /nfs/dbraw/zinc/80/69/70/610806970.db2.gz CXEZXBPAEBGOPN-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C(F)F)C1 ZINC000943334893 610806973 /nfs/dbraw/zinc/80/69/73/610806973.db2.gz CXEZXBPAEBGOPN-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)C#CC2CC2)C1 ZINC000943337509 610807885 /nfs/dbraw/zinc/80/78/85/610807885.db2.gz RMVQGEAXUZWHBQ-MSOLQXFVSA-N 1 1 341.455 0.995 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)C#CC2CC2)C1 ZINC000943337509 610807886 /nfs/dbraw/zinc/80/78/86/610807886.db2.gz RMVQGEAXUZWHBQ-MSOLQXFVSA-N 1 1 341.455 0.995 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000944906030 610834619 /nfs/dbraw/zinc/83/46/19/610834619.db2.gz GWRNMWMIVLQUNM-GJZGRUSLSA-N 1 1 343.493 0.120 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccnn3C)C[C@@H]2C)nn1 ZINC000943480484 610867562 /nfs/dbraw/zinc/86/75/62/610867562.db2.gz DHLLZQFLUSOZGJ-DZGCQCFKSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)C[C@H]2C)nn1 ZINC000943500510 610885118 /nfs/dbraw/zinc/88/51/18/610885118.db2.gz YGYMFGMGIHYNFO-CABCVRRESA-N 1 1 343.435 0.801 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2C)nn1 ZINC000943500367 610885201 /nfs/dbraw/zinc/88/52/01/610885201.db2.gz XONGFGGIMVGXOA-KGLIPLIRSA-N 1 1 348.451 0.383 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](C)C1 ZINC000945222844 610962460 /nfs/dbraw/zinc/96/24/60/610962460.db2.gz NRWJAVGWAUUSMA-JQWIXIFHSA-N 1 1 326.828 0.917 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](C)C1 ZINC000945222844 610962461 /nfs/dbraw/zinc/96/24/61/610962461.db2.gz NRWJAVGWAUUSMA-JQWIXIFHSA-N 1 1 326.828 0.917 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@H](C)C1 ZINC000943760896 610978369 /nfs/dbraw/zinc/97/83/69/610978369.db2.gz FSUGNVIFLATYQF-RISCZKNCSA-N 1 1 332.404 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccncc1 ZINC000943823413 610995656 /nfs/dbraw/zinc/99/56/56/610995656.db2.gz IPMCDEHTYJHJRD-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccncc1 ZINC000943823413 610995657 /nfs/dbraw/zinc/99/56/57/610995657.db2.gz IPMCDEHTYJHJRD-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(C)CCC2)[C@H](OC)C1 ZINC000944599277 611007127 /nfs/dbraw/zinc/00/71/27/611007127.db2.gz MWGYNTPDIUZQTM-OWCLPIDISA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(C)CCC2)[C@H](OC)C1 ZINC000944599277 611007130 /nfs/dbraw/zinc/00/71/30/611007130.db2.gz MWGYNTPDIUZQTM-OWCLPIDISA-N 1 1 347.459 0.616 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944629229 611031212 /nfs/dbraw/zinc/03/12/12/611031212.db2.gz XCEUQYUOVYMULC-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2(C)CCC2)CCO1 ZINC000944644287 611050077 /nfs/dbraw/zinc/05/00/77/611050077.db2.gz IKQJLKPRGKTTPL-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2(C)CCC2)CCO1 ZINC000944644287 611050080 /nfs/dbraw/zinc/05/00/80/611050080.db2.gz IKQJLKPRGKTTPL-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)no1 ZINC000944008882 611079956 /nfs/dbraw/zinc/07/99/56/611079956.db2.gz SZAIFZCOHXTNHA-CQSZACIVSA-N 1 1 344.415 0.870 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](C)C1 ZINC000944034597 611097906 /nfs/dbraw/zinc/09/79/06/611097906.db2.gz VZZHCVMHVZYAEL-GJZGRUSLSA-N 1 1 347.463 0.784 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)NCC[S@](=O)CC(F)(F)F)CC1 ZINC000923185364 611211626 /nfs/dbraw/zinc/21/16/26/611211626.db2.gz FHHHTSODDATSGD-QFIPXVFZSA-N 1 1 339.383 0.694 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)CC[C@@H]2C1 ZINC000946882278 611222240 /nfs/dbraw/zinc/22/22/40/611222240.db2.gz GIUBRSVTYJNESR-GASCZTMLSA-N 1 1 328.416 0.588 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946887884 611226434 /nfs/dbraw/zinc/22/64/34/611226434.db2.gz UZGDNEBSXZCOHW-GASCZTMLSA-N 1 1 331.416 0.329 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000946092262 611227610 /nfs/dbraw/zinc/22/76/10/611227610.db2.gz FWXRACJUEOXZTA-CYBMUJFWSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CCCS1(=O)=O)C1CC[NH+](C)CC1 ZINC000921518864 611245292 /nfs/dbraw/zinc/24/52/92/611245292.db2.gz FGPKYCWVOUUQFY-CQSZACIVSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)C1 ZINC000923549614 611260422 /nfs/dbraw/zinc/26/04/22/611260422.db2.gz NMEKKWLTSLQHOS-WOLRVDTOSA-N 1 1 336.413 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccn(CCn3cccn3)n2)C1 ZINC000923558442 611260752 /nfs/dbraw/zinc/26/07/52/611260752.db2.gz ZYDUKJMQEMXGRD-HNNXBMFYSA-N 1 1 326.404 0.607 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CCn3cccn3)n2)C1 ZINC000923558442 611260753 /nfs/dbraw/zinc/26/07/53/611260753.db2.gz ZYDUKJMQEMXGRD-HNNXBMFYSA-N 1 1 326.404 0.607 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C2=C(C)N(C)c3nnnn3[C@H]2C)C1 ZINC000923558364 611260909 /nfs/dbraw/zinc/26/09/09/611260909.db2.gz YYMOIYCQDJKOPM-QWHCGFSZSA-N 1 1 329.408 0.172 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2=C(C)N(C)c3nnnn3[C@H]2C)C1 ZINC000923558364 611260912 /nfs/dbraw/zinc/26/09/12/611260912.db2.gz YYMOIYCQDJKOPM-QWHCGFSZSA-N 1 1 329.408 0.172 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)C1 ZINC000923560688 611261840 /nfs/dbraw/zinc/26/18/40/611261840.db2.gz FBVQNYIILOXVCQ-YJBOKZPZSA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)C1 ZINC000923560688 611261842 /nfs/dbraw/zinc/26/18/42/611261842.db2.gz FBVQNYIILOXVCQ-YJBOKZPZSA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000923561266 611262186 /nfs/dbraw/zinc/26/21/86/611262186.db2.gz WSXZFDVAHNXFSQ-ZMSDIMECSA-N 1 1 343.431 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000923561266 611262187 /nfs/dbraw/zinc/26/21/87/611262187.db2.gz WSXZFDVAHNXFSQ-ZMSDIMECSA-N 1 1 343.431 0.153 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)CC[C@@H]2C1 ZINC000946919176 611262328 /nfs/dbraw/zinc/26/23/28/611262328.db2.gz YWLBLDXYCLGWQZ-GASCZTMLSA-N 1 1 326.400 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2nnn(-c3cnn(C)c3)c2C)C1 ZINC000923558199 611262703 /nfs/dbraw/zinc/26/27/03/611262703.db2.gz XPZVQGIOYLFFMT-ZDUSSCGKSA-N 1 1 327.392 0.137 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nnn(-c3cnn(C)c3)c2C)C1 ZINC000923558199 611262704 /nfs/dbraw/zinc/26/27/04/611262704.db2.gz XPZVQGIOYLFFMT-ZDUSSCGKSA-N 1 1 327.392 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2CC(F)(F)F)C1 ZINC000923562574 611263013 /nfs/dbraw/zinc/26/30/13/611263013.db2.gz ZZHMYVATVZYSGI-CHWSQXEVSA-N 1 1 333.354 0.463 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2CC(F)(F)F)C1 ZINC000923562574 611263014 /nfs/dbraw/zinc/26/30/14/611263014.db2.gz ZZHMYVATVZYSGI-CHWSQXEVSA-N 1 1 333.354 0.463 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)COCCNC(=O)OC(C)(C)C)C1 ZINC000923576951 611266519 /nfs/dbraw/zinc/26/65/19/611266519.db2.gz XLRPLAPFGMKEAZ-CQSZACIVSA-N 1 1 339.436 0.742 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)COCCNC(=O)OC(C)(C)C)C1 ZINC000923576951 611266522 /nfs/dbraw/zinc/26/65/22/611266522.db2.gz XLRPLAPFGMKEAZ-CQSZACIVSA-N 1 1 339.436 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000923574349 611267302 /nfs/dbraw/zinc/26/73/02/611267302.db2.gz DARWLOMDZRJOEX-QGZVFWFLSA-N 1 1 341.459 0.417 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000923574349 611267304 /nfs/dbraw/zinc/26/73/04/611267304.db2.gz DARWLOMDZRJOEX-QGZVFWFLSA-N 1 1 341.459 0.417 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000923590138 611270500 /nfs/dbraw/zinc/27/05/00/611270500.db2.gz RCBQYGDACFZFFV-GFCCVEGCSA-N 1 1 326.356 0.044 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000923590138 611270502 /nfs/dbraw/zinc/27/05/02/611270502.db2.gz RCBQYGDACFZFFV-GFCCVEGCSA-N 1 1 326.356 0.044 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn(CC(OCC)OCC)nn2)C1 ZINC000923585408 611271827 /nfs/dbraw/zinc/27/18/27/611271827.db2.gz SPDLHXLKSSIWOX-AWEZNQCLSA-N 1 1 349.435 0.505 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(OCC)OCC)nn2)C1 ZINC000923585408 611271829 /nfs/dbraw/zinc/27/18/29/611271829.db2.gz SPDLHXLKSSIWOX-AWEZNQCLSA-N 1 1 349.435 0.505 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000946472614 611278816 /nfs/dbraw/zinc/27/88/16/611278816.db2.gz JZPCPCQADDWQBY-DLBZAZTESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000946472614 611278817 /nfs/dbraw/zinc/27/88/17/611278817.db2.gz JZPCPCQADDWQBY-DLBZAZTESA-N 1 1 347.459 0.760 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)CC[C@@H]3C2)C1=O ZINC000946521156 611298581 /nfs/dbraw/zinc/29/85/81/611298581.db2.gz JQRAINDNGAZIKD-CAOSSQGBSA-N 1 1 332.448 0.937 20 30 ECEDMO COc1c(O)ccc(C=NNCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000834975870 611305807 /nfs/dbraw/zinc/30/58/07/611305807.db2.gz FFHHUTHOIQIOHB-UHFFFAOYSA-N 1 1 338.364 0.955 20 30 ECEDMO C#CC1CC[NH+](CN2C(=O)N[C@](CC)(c3cnn(C)c3)C2=O)CC1 ZINC000842634162 611318203 /nfs/dbraw/zinc/31/82/03/611318203.db2.gz PMNFLQTUEMZFQM-QGZVFWFLSA-N 1 1 329.404 0.880 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000933736769 611745461 /nfs/dbraw/zinc/74/54/61/611745461.db2.gz IEADHASZWOOFFD-YQVWRLOYSA-N 1 1 347.507 0.562 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000929664920 611778589 /nfs/dbraw/zinc/77/85/89/611778589.db2.gz JLUBLICYQNTDGW-OAHLLOKOSA-N 1 1 335.429 0.620 20 30 ECEDMO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000934519716 611806260 /nfs/dbraw/zinc/80/62/60/611806260.db2.gz SRLQACNQLQOICI-CQSZACIVSA-N 1 1 327.450 0.014 20 30 ECEDMO C#C[C@@H]1CCCC[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000934519716 611806259 /nfs/dbraw/zinc/80/62/59/611806259.db2.gz SRLQACNQLQOICI-CQSZACIVSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000950648120 611816201 /nfs/dbraw/zinc/81/62/01/611816201.db2.gz AUKUEAQQYPVHQY-MCIONIFRSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000950648120 611816202 /nfs/dbraw/zinc/81/62/02/611816202.db2.gz AUKUEAQQYPVHQY-MCIONIFRSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000950076440 611858571 /nfs/dbraw/zinc/85/85/71/611858571.db2.gz DNQSLCNIHYNLHM-DLBZAZTESA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000950076440 611858572 /nfs/dbraw/zinc/85/85/72/611858572.db2.gz DNQSLCNIHYNLHM-DLBZAZTESA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1C ZINC000950755615 611891118 /nfs/dbraw/zinc/89/11/18/611891118.db2.gz QAKJCICYNVDHIK-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1C ZINC000950755615 611891120 /nfs/dbraw/zinc/89/11/20/611891120.db2.gz QAKJCICYNVDHIK-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccnc(C)c1 ZINC000950755996 611891849 /nfs/dbraw/zinc/89/18/49/611891849.db2.gz ZKRTUGYDKZJTQF-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccnc(C)c1 ZINC000950755996 611891850 /nfs/dbraw/zinc/89/18/50/611891850.db2.gz ZKRTUGYDKZJTQF-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)CN1CCOCC1)CCO2 ZINC000949244493 611917939 /nfs/dbraw/zinc/91/79/39/611917939.db2.gz KIKCCASJXWQUCE-QGZVFWFLSA-N 1 1 349.475 0.281 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000950233839 611918764 /nfs/dbraw/zinc/91/87/64/611918764.db2.gz HWMDRGKBVIKXSQ-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1c[nH+]cc1C ZINC000950234877 611919895 /nfs/dbraw/zinc/91/98/95/611919895.db2.gz DGVRZQWTJKGQCO-OAGGEKHMSA-N 1 1 346.431 0.890 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298512 611931667 /nfs/dbraw/zinc/93/16/67/611931667.db2.gz NOSDCVOAZSYFHW-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cc3cnn(C)c3)CC2)C1 ZINC000949317043 611936751 /nfs/dbraw/zinc/93/67/51/611936751.db2.gz FSKYKQYLZKASEO-UHFFFAOYSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 ZINC000949343881 611946201 /nfs/dbraw/zinc/94/62/01/611946201.db2.gz VRAFUOOKLSJKPP-INIZCTEOSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC000950870697 611958877 /nfs/dbraw/zinc/95/88/77/611958877.db2.gz YLZNOOXWDJUCIX-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC000950870697 611958880 /nfs/dbraw/zinc/95/88/80/611958880.db2.gz YLZNOOXWDJUCIX-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N[C@H](C)C3)CC2)C1 ZINC000949401425 611965936 /nfs/dbraw/zinc/96/59/36/611965936.db2.gz BXHZWVAZKCZPSX-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N[C@H](C)C3)CC2)C1 ZINC000949401425 611965938 /nfs/dbraw/zinc/96/59/38/611965938.db2.gz BXHZWVAZKCZPSX-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC000949423788 611973900 /nfs/dbraw/zinc/97/39/00/611973900.db2.gz OKWPGYZJMGURCI-UHFFFAOYSA-N 1 1 345.399 0.709 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3ccoc3CC(N)=O)CC2)C1 ZINC000949455019 611987528 /nfs/dbraw/zinc/98/75/28/611987528.db2.gz RBDZLMAMBMVMPA-UHFFFAOYSA-N 1 1 347.415 0.800 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3ccoc3CC(N)=O)CC2)C1 ZINC000949455019 611987529 /nfs/dbraw/zinc/98/75/29/611987529.db2.gz RBDZLMAMBMVMPA-UHFFFAOYSA-N 1 1 347.415 0.800 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC000949523252 612019466 /nfs/dbraw/zinc/01/94/66/612019466.db2.gz JPAPJVLBIXZRDI-UHFFFAOYSA-N 1 1 346.431 0.663 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000950465406 612030734 /nfs/dbraw/zinc/03/07/34/612030734.db2.gz IXXNANSKZUUVOG-GJZGRUSLSA-N 1 1 326.400 0.891 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000950481496 612035262 /nfs/dbraw/zinc/03/52/62/612035262.db2.gz COQNHRGRQCCMPW-AWEZNQCLSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC000951223352 612087842 /nfs/dbraw/zinc/08/78/42/612087842.db2.gz FFADVCMUTQRLQI-OCCSQVGLSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC000951223352 612087844 /nfs/dbraw/zinc/08/78/44/612087844.db2.gz FFADVCMUTQRLQI-OCCSQVGLSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc(C)on2)C1 ZINC000951223677 612088287 /nfs/dbraw/zinc/08/82/87/612088287.db2.gz NHWOIRSKZOMRDM-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc(C)on2)C1 ZINC000951223677 612088289 /nfs/dbraw/zinc/08/82/89/612088289.db2.gz NHWOIRSKZOMRDM-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000951224016 612088866 /nfs/dbraw/zinc/08/88/66/612088866.db2.gz WEWSURMTYJLFGV-ZBFHGGJFSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000951224016 612088869 /nfs/dbraw/zinc/08/88/69/612088869.db2.gz WEWSURMTYJLFGV-ZBFHGGJFSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000951223990 612089152 /nfs/dbraw/zinc/08/91/52/612089152.db2.gz VHCWBRQBQKMEBV-ZFWWWQNUSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000951223990 612089155 /nfs/dbraw/zinc/08/91/55/612089155.db2.gz VHCWBRQBQKMEBV-ZFWWWQNUSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2nonc2C)C1 ZINC000951258841 612112565 /nfs/dbraw/zinc/11/25/65/612112565.db2.gz LLPUPPUBPYLNJK-KGLIPLIRSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2nonc2C)C1 ZINC000951258841 612112567 /nfs/dbraw/zinc/11/25/67/612112567.db2.gz LLPUPPUBPYLNJK-KGLIPLIRSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cncn2C)C1 ZINC000951276330 612124189 /nfs/dbraw/zinc/12/41/89/612124189.db2.gz JQLVGKKFFKGLAX-GJZGRUSLSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cncn2C)C1 ZINC000951276330 612124191 /nfs/dbraw/zinc/12/41/91/612124191.db2.gz JQLVGKKFFKGLAX-GJZGRUSLSA-N 1 1 343.431 0.239 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000951965527 612158072 /nfs/dbraw/zinc/15/80/72/612158072.db2.gz KKYDIVQGOYOWQZ-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000951965527 612158074 /nfs/dbraw/zinc/15/80/74/612158074.db2.gz KKYDIVQGOYOWQZ-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCCC[N@@H+]2C)cn1 ZINC000951385937 612198808 /nfs/dbraw/zinc/19/88/08/612198808.db2.gz PYGIEYAXDHYPOX-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000951439813 612234340 /nfs/dbraw/zinc/23/43/40/612234340.db2.gz QMPLLTHEEPFLKO-SJORKVTESA-N 1 1 325.412 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)nn2C)C1 ZINC000953832548 612334587 /nfs/dbraw/zinc/33/45/87/612334587.db2.gz TXYUEZKIUMMYCP-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)nn2C)C1 ZINC000953832548 612334591 /nfs/dbraw/zinc/33/45/91/612334591.db2.gz TXYUEZKIUMMYCP-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C=CCn1cccc1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954547943 612391713 /nfs/dbraw/zinc/39/17/13/612391713.db2.gz JPFNKSPCHWGVBJ-AWEZNQCLSA-N 1 1 330.432 0.909 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000953885622 612392985 /nfs/dbraw/zinc/39/29/85/612392985.db2.gz WJGQFEVTAWYXPZ-ZDUSSCGKSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccncc2)C1 ZINC000953541919 612395109 /nfs/dbraw/zinc/39/51/09/612395109.db2.gz PZQCTNRVJXMTOH-INIZCTEOSA-N 1 1 326.400 0.462 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccncc2)C1 ZINC000953541919 612395113 /nfs/dbraw/zinc/39/51/13/612395113.db2.gz PZQCTNRVJXMTOH-INIZCTEOSA-N 1 1 326.400 0.462 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000955337341 612456051 /nfs/dbraw/zinc/45/60/51/612456051.db2.gz JTZCBZNVVQUPRY-LBPRGKRZSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c(C)noc2C)C1 ZINC000954630708 612468530 /nfs/dbraw/zinc/46/85/30/612468530.db2.gz HJDWPFWCIJHBOF-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c(C)noc2C)C1 ZINC000954630708 612468531 /nfs/dbraw/zinc/46/85/31/612468531.db2.gz HJDWPFWCIJHBOF-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)n2cccc2)C1 ZINC000954630871 612468643 /nfs/dbraw/zinc/46/86/43/612468643.db2.gz NGLYKRJBECLYOV-RDJZCZTQSA-N 1 1 342.443 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)n2cccc2)C1 ZINC000954630871 612468645 /nfs/dbraw/zinc/46/86/45/612468645.db2.gz NGLYKRJBECLYOV-RDJZCZTQSA-N 1 1 342.443 0.816 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000953958890 612496316 /nfs/dbraw/zinc/49/63/16/612496316.db2.gz OWIOFYDHUZWXPB-CYBMUJFWSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC000952563330 612514923 /nfs/dbraw/zinc/51/49/23/612514923.db2.gz TXUPORYKRGWQCH-OAGGEKHMSA-N 1 1 348.447 0.460 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC000955949594 612522552 /nfs/dbraw/zinc/52/25/52/612522552.db2.gz AXSWSPFUIIIAME-KGLIPLIRSA-N 1 1 329.404 0.559 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000953987661 612526386 /nfs/dbraw/zinc/52/63/86/612526386.db2.gz ITQJDNBLQVSWBU-ZFWWWQNUSA-N 1 1 336.436 0.316 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000953987661 612526389 /nfs/dbraw/zinc/52/63/89/612526389.db2.gz ITQJDNBLQVSWBU-ZFWWWQNUSA-N 1 1 336.436 0.316 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953998413 612536370 /nfs/dbraw/zinc/53/63/70/612536370.db2.gz ZITOLGXHYNKLAD-SMDDNHRTSA-N 1 1 329.404 0.367 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956802754 612566670 /nfs/dbraw/zinc/56/66/70/612566670.db2.gz SELASFXKPGYJHA-ACJLOTCBSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956019053 612615584 /nfs/dbraw/zinc/61/55/84/612615584.db2.gz YKEOFTVAQOXDGI-KBPBESRZSA-N 1 1 329.404 0.559 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954079962 612640504 /nfs/dbraw/zinc/64/05/04/612640504.db2.gz ORPQLGMADIPQCV-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC000956074326 612678296 /nfs/dbraw/zinc/67/82/96/612678296.db2.gz VOFZSSWSQQFMPX-GJZGRUSLSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC000956074326 612678298 /nfs/dbraw/zinc/67/82/98/612678298.db2.gz VOFZSSWSQQFMPX-GJZGRUSLSA-N 1 1 329.404 0.228 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000956929488 612713021 /nfs/dbraw/zinc/71/30/21/612713021.db2.gz PVOTUXWHOIMQFC-SUMWQHHRSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000956929486 612713089 /nfs/dbraw/zinc/71/30/89/612713089.db2.gz PVOTUXWHOIMQFC-DYVFJYSZSA-N 1 1 346.435 0.137 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956935482 612718538 /nfs/dbraw/zinc/71/85/38/612718538.db2.gz VOCHHFZWABYOEN-YVEFUNNKSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000956209663 612779209 /nfs/dbraw/zinc/77/92/09/612779209.db2.gz COMLQCFXHQCFKD-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2csc(=O)[nH]2)C1 ZINC000955055926 612872658 /nfs/dbraw/zinc/87/26/58/612872658.db2.gz OVIKKMXXRCIVAF-ZDUSSCGKSA-N 1 1 348.428 0.229 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2csc(=O)[nH]2)C1 ZINC000955055926 612872660 /nfs/dbraw/zinc/87/26/60/612872660.db2.gz OVIKKMXXRCIVAF-ZDUSSCGKSA-N 1 1 348.428 0.229 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954394167 612889084 /nfs/dbraw/zinc/88/90/84/612889084.db2.gz PKMRVGPZTMUEER-KBMXLJTQSA-N 1 1 335.448 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CO[C@@H](CNC(C)=O)C2)CC1 ZINC000956514224 612908308 /nfs/dbraw/zinc/90/83/08/612908308.db2.gz XRAVRKCEIHHSAK-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CO[C@@H](CNC(C)=O)C2)CC1 ZINC000956514224 612908309 /nfs/dbraw/zinc/90/83/09/612908309.db2.gz XRAVRKCEIHHSAK-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164935486 721886544 /nfs/dbraw/zinc/88/65/44/721886544.db2.gz WZIUALUNPDKCGO-HOTGVXAUSA-N 1 1 343.431 0.954 20 30 ECEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001164935486 721886545 /nfs/dbraw/zinc/88/65/45/721886545.db2.gz WZIUALUNPDKCGO-HOTGVXAUSA-N 1 1 343.431 0.954 20 30 ECEDMO CCc1nc(C#N)c(C#N)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164934128 721887505 /nfs/dbraw/zinc/88/75/05/721887505.db2.gz PPFAUVUZKVAKDZ-IRXDYDNUSA-N 1 1 339.447 0.997 20 30 ECEDMO CCc1nc(C#N)c(C#N)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001164934128 721887507 /nfs/dbraw/zinc/88/75/07/721887507.db2.gz PPFAUVUZKVAKDZ-IRXDYDNUSA-N 1 1 339.447 0.997 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC001041786809 782206813 /nfs/dbraw/zinc/20/68/13/782206813.db2.gz WDQBVYNTEQBQME-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786809 782206817 /nfs/dbraw/zinc/20/68/17/782206817.db2.gz WDQBVYNTEQBQME-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786809 782206823 /nfs/dbraw/zinc/20/68/23/782206823.db2.gz WDQBVYNTEQBQME-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786809 782206828 /nfs/dbraw/zinc/20/68/28/782206828.db2.gz WDQBVYNTEQBQME-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786809 782206835 /nfs/dbraw/zinc/20/68/35/782206835.db2.gz WDQBVYNTEQBQME-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO C[C@H](CNc1ncc(C#N)cc1F)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104539329 738444420 /nfs/dbraw/zinc/44/44/20/738444420.db2.gz YNKWMITZQZNKFI-BXUZGUMPSA-N 1 1 335.383 0.682 20 30 ECEDMO C[C@H](CNc1ncc(C#N)cc1F)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104539329 738444425 /nfs/dbraw/zinc/44/44/25/738444425.db2.gz YNKWMITZQZNKFI-BXUZGUMPSA-N 1 1 335.383 0.682 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001023344813 736717410 /nfs/dbraw/zinc/71/74/10/736717410.db2.gz UXTTUXQCJZEZCK-GHMZBOCLSA-N 1 1 346.225 0.832 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001023344813 736717412 /nfs/dbraw/zinc/71/74/12/736717412.db2.gz UXTTUXQCJZEZCK-GHMZBOCLSA-N 1 1 346.225 0.832 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 ZINC001125278913 731550637 /nfs/dbraw/zinc/55/06/37/731550637.db2.gz GZKLZMCAXCUQEH-DZGCQCFKSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ncc3ccccn32)[C@@H](n2ccnn2)C1 ZINC001069977917 790270486 /nfs/dbraw/zinc/27/04/86/790270486.db2.gz MUYKQCUXVIYOCU-CVEARBPZSA-N 1 1 349.398 0.604 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ncc3ccccn32)[C@@H](n2ccnn2)C1 ZINC001069977917 790270489 /nfs/dbraw/zinc/27/04/89/790270489.db2.gz MUYKQCUXVIYOCU-CVEARBPZSA-N 1 1 349.398 0.604 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC000969252225 731646073 /nfs/dbraw/zinc/64/60/73/731646073.db2.gz PDCVSSUKUNGSDK-XJKSGUPXSA-N 1 1 344.415 0.157 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C)on3)C2)C1=O ZINC000969263206 731656718 /nfs/dbraw/zinc/65/67/18/731656718.db2.gz GOAFDYSTRYOJHC-DOMZBBRYSA-N 1 1 332.404 0.820 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC001112474222 731675501 /nfs/dbraw/zinc/67/55/01/731675501.db2.gz PNYDCNPTSKCRFM-DZGCQCFKSA-N 1 1 343.431 0.706 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cccn3C)C2)C1=O ZINC000969320291 731716730 /nfs/dbraw/zinc/71/67/30/731716730.db2.gz TXAMYVVNWCFTBU-XJKSGUPXSA-N 1 1 330.432 0.862 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H](C)COC)C[C@@H]32)c1 ZINC001083188340 731764706 /nfs/dbraw/zinc/76/47/06/731764706.db2.gz QEVVRVSQWXLCQV-RRQGHBQHSA-N 1 1 329.400 0.623 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC000969391647 731792875 /nfs/dbraw/zinc/79/28/75/731792875.db2.gz GCQWWKXRHBGEJP-SOUVJXGZSA-N 1 1 334.420 0.070 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000969403152 731806929 /nfs/dbraw/zinc/80/69/29/731806929.db2.gz ZKMSPJOWYKUGIX-XHDPSFHLSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cn(C)nc3C)C2)C1=O ZINC000969416867 731838335 /nfs/dbraw/zinc/83/83/35/731838335.db2.gz CMXKVHLUSYCAGL-LRDDRELGSA-N 1 1 345.447 0.566 20 30 ECEDMO CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000969462008 731909246 /nfs/dbraw/zinc/90/92/46/731909246.db2.gz CEONENJXHFYGKN-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)c3cc(CCC)[nH]n3)C2)C1=O ZINC000969542372 731961401 /nfs/dbraw/zinc/96/14/01/731961401.db2.gz XDFXELDIVRNWGU-CABCVRRESA-N 1 1 345.447 0.953 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000969592771 731991489 /nfs/dbraw/zinc/99/14/89/731991489.db2.gz AUMJPSAZPJCGFT-MEBBXXQBSA-N 1 1 346.362 0.742 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(CCC(C)C)nn3)[C@H]2C1 ZINC001083191410 732011258 /nfs/dbraw/zinc/01/12/58/732011258.db2.gz XQNYCQRYMYRHOF-DLBZAZTESA-N 1 1 345.447 0.873 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(CCC(C)C)nn3)[C@H]2C1 ZINC001083191410 732011262 /nfs/dbraw/zinc/01/12/62/732011262.db2.gz XQNYCQRYMYRHOF-DLBZAZTESA-N 1 1 345.447 0.873 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cn(C)cn3)C(C)(C)C2)C1=O ZINC000973035118 738567965 /nfs/dbraw/zinc/56/79/65/738567965.db2.gz XCOJXSBKUZDTTI-HUUCEWRRSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cn(C)cn3)C(C)(C)C2)C1=O ZINC000973035118 738567966 /nfs/dbraw/zinc/56/79/66/738567966.db2.gz XCOJXSBKUZDTTI-HUUCEWRRSA-N 1 1 345.447 0.647 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001039048779 732073851 /nfs/dbraw/zinc/07/38/51/732073851.db2.gz ATIWSHHFSRNUNJ-ZDUSSCGKSA-N 1 1 334.424 0.137 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)N2CCCC2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973046780 738581082 /nfs/dbraw/zinc/58/10/82/738581082.db2.gz GITHZGQELJXJLO-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973046780 738581085 /nfs/dbraw/zinc/58/10/85/738581085.db2.gz GITHZGQELJXJLO-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO CN1CCC[C@H]([N@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973048317 738584590 /nfs/dbraw/zinc/58/45/90/738584590.db2.gz RBWSHDZDZICSDP-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041812380 782255487 /nfs/dbraw/zinc/25/54/87/782255487.db2.gz YXPLFUSFKAFATA-AEFFLSMTSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cnn(CC)n2)C1 ZINC000969867616 732462519 /nfs/dbraw/zinc/46/25/19/732462519.db2.gz CRFZMOLUIRLHDS-YOEHRIQHSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cnn(CC)n2)C1 ZINC000969867616 732462524 /nfs/dbraw/zinc/46/25/24/732462524.db2.gz CRFZMOLUIRLHDS-YOEHRIQHSA-N 1 1 344.463 0.332 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)CC1 ZINC001098526483 732526752 /nfs/dbraw/zinc/52/67/52/732526752.db2.gz JXAWUONQQVRPIV-SFHVURJKSA-N 1 1 337.464 0.716 20 30 ECEDMO C[C@H](NC(=O)c1cnn[nH]1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000970023226 732636938 /nfs/dbraw/zinc/63/69/38/732636938.db2.gz GIWUUAJDDXCUKV-LBPRGKRZSA-N 1 1 340.387 0.957 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC001041819234 782266488 /nfs/dbraw/zinc/26/64/88/782266488.db2.gz COFQJIADHMKZBL-QGZVFWFLSA-N 1 1 334.420 0.381 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CNc2ccc(C#N)nn2)C(C)(C)C)C1 ZINC001125828175 738668115 /nfs/dbraw/zinc/66/81/15/738668115.db2.gz NSBZTMSONOIQGP-KBPBESRZSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CNc2ccc(C#N)nn2)C(C)(C)C)C1 ZINC001125828175 738668117 /nfs/dbraw/zinc/66/81/17/738668117.db2.gz NSBZTMSONOIQGP-KBPBESRZSA-N 1 1 346.435 0.622 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1cccc(F)n1 ZINC001125327342 733048048 /nfs/dbraw/zinc/04/80/48/733048048.db2.gz LZFZXYMTRDGGGW-GJZGRUSLSA-N 1 1 348.422 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1cccc(F)n1 ZINC001125327342 733048052 /nfs/dbraw/zinc/04/80/52/733048052.db2.gz LZFZXYMTRDGGGW-GJZGRUSLSA-N 1 1 348.422 0.574 20 30 ECEDMO C=C(Cl)CN(CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532693 733050588 /nfs/dbraw/zinc/05/05/88/733050588.db2.gz AOVCOKKDZXOJMS-UHFFFAOYSA-N 1 1 347.887 0.602 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001098532845 733053140 /nfs/dbraw/zinc/05/31/40/733053140.db2.gz HFUCREOYVFZNNA-UHFFFAOYSA-N 1 1 332.448 0.996 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001078114711 782322488 /nfs/dbraw/zinc/32/24/88/782322488.db2.gz VRQNMBIMVXEGCF-HUUCEWRRSA-N 1 1 332.400 0.431 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001078114711 782322493 /nfs/dbraw/zinc/32/24/93/782322493.db2.gz VRQNMBIMVXEGCF-HUUCEWRRSA-N 1 1 332.400 0.431 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CCN([C@H](C)C(N)=O)C3)C2)CC1 ZINC001041845174 782326276 /nfs/dbraw/zinc/32/62/76/782326276.db2.gz UQLRHQZBWVJANW-DNVCBOLYSA-N 1 1 346.475 0.130 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC000970241738 733258428 /nfs/dbraw/zinc/25/84/28/733258428.db2.gz NYQJZPFWCQZRAE-YCPHGPKFSA-N 1 1 333.436 0.970 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970268732 733282335 /nfs/dbraw/zinc/28/23/35/733282335.db2.gz OHMWHPQXMMMPDJ-LRDDRELGSA-N 1 1 326.400 0.631 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970271315 733286263 /nfs/dbraw/zinc/28/62/63/733286263.db2.gz NRSGQQXYCGBPEU-MLGOLLRUSA-N 1 1 341.415 0.518 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1nccc(OC)n1 ZINC001104253717 733368469 /nfs/dbraw/zinc/36/84/69/733368469.db2.gz XBEORMGTSOKYDJ-KBPBESRZSA-N 1 1 331.420 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1nccc(OC)n1 ZINC001104253717 733368471 /nfs/dbraw/zinc/36/84/71/733368471.db2.gz XBEORMGTSOKYDJ-KBPBESRZSA-N 1 1 331.420 0.747 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970354252 733404305 /nfs/dbraw/zinc/40/43/05/733404305.db2.gz OWDVNBZAQXPEPX-LRDDRELGSA-N 1 1 344.390 0.295 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1ccc(C#N)nc1 ZINC001104268930 733536004 /nfs/dbraw/zinc/53/60/04/733536004.db2.gz VZJOZUOEXOETLV-XJKCOSOUSA-N 1 1 331.420 0.837 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1ccc(C#N)nc1 ZINC001104268930 733536008 /nfs/dbraw/zinc/53/60/08/733536008.db2.gz VZJOZUOEXOETLV-XJKCOSOUSA-N 1 1 331.420 0.837 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1ccncc1C#N ZINC001104269739 733537186 /nfs/dbraw/zinc/53/71/86/733537186.db2.gz FCEKPEIBHZFQQA-XJKCOSOUSA-N 1 1 331.420 0.258 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1ccncc1C#N ZINC001104269739 733537190 /nfs/dbraw/zinc/53/71/90/733537190.db2.gz FCEKPEIBHZFQQA-XJKCOSOUSA-N 1 1 331.420 0.258 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000970446364 733543795 /nfs/dbraw/zinc/54/37/95/733543795.db2.gz YSYZVYUUHTXHJC-CYBMUJFWSA-N 1 1 342.403 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)n3CC)C2)cn1 ZINC000970520258 733640394 /nfs/dbraw/zinc/64/03/94/733640394.db2.gz UEDVFFNYMOIUKK-MRXNPFEDSA-N 1 1 338.415 0.987 20 30 ECEDMO C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC000970566818 733681141 /nfs/dbraw/zinc/68/11/41/733681141.db2.gz LXMBHBNTEOHWBR-QANKJYHBSA-N 1 1 340.427 0.671 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000973104284 738747836 /nfs/dbraw/zinc/74/78/36/738747836.db2.gz DWLKUNLPYWLSFX-UMVBOHGHSA-N 1 1 346.435 0.325 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)CC1 ZINC000970645886 733775439 /nfs/dbraw/zinc/77/54/39/733775439.db2.gz KEWKZNOBUDNRSA-OIISXLGYSA-N 1 1 349.475 0.763 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000970661947 733790423 /nfs/dbraw/zinc/79/04/23/733790423.db2.gz GVGISDIYODXWGP-KBPBESRZSA-N 1 1 331.420 0.388 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H](C)C1C[NH+]([C@@H](CC)C(N)=O)C1 ZINC000970715082 733864342 /nfs/dbraw/zinc/86/43/42/733864342.db2.gz WVNCUQVTIUSWLQ-OCCSQVGLSA-N 1 1 346.431 0.960 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970762408 733919803 /nfs/dbraw/zinc/91/98/03/733919803.db2.gz DINGPHOZNMOBRS-LRDDRELGSA-N 1 1 326.400 0.773 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3nccnc3C)C2)CC1 ZINC000970792813 733943400 /nfs/dbraw/zinc/94/34/00/733943400.db2.gz XRFVLYYVRHTKPK-QGZVFWFLSA-N 1 1 341.459 0.821 20 30 ECEDMO N#Cc1nccnc1NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001111583813 733973029 /nfs/dbraw/zinc/97/30/29/733973029.db2.gz QFQFPJQLRUXGBX-VXGBXAGGSA-N 1 1 341.375 0.108 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3csc4cncn43)[C@H]2C1 ZINC001083211620 734252262 /nfs/dbraw/zinc/25/22/62/734252262.db2.gz IPDDEMVRMBRVHA-GXTWGEPZSA-N 1 1 330.413 0.944 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3csc4cncn43)[C@H]2C1 ZINC001083211620 734252263 /nfs/dbraw/zinc/25/22/63/734252263.db2.gz IPDDEMVRMBRVHA-GXTWGEPZSA-N 1 1 330.413 0.944 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001078162579 782407001 /nfs/dbraw/zinc/40/70/01/782407001.db2.gz WUOBSSGNSACOOG-HZPDHXFCSA-N 1 1 342.403 0.403 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNc1ncc(C#N)cc1F ZINC001111584661 734267147 /nfs/dbraw/zinc/26/71/47/734267147.db2.gz HKDOULPPXFRBRZ-OAHLLOKOSA-N 1 1 349.410 0.809 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC000971117139 734279892 /nfs/dbraw/zinc/27/98/92/734279892.db2.gz NTXYKEXCECXUHW-GOEBONIOSA-N 1 1 345.447 0.905 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000971117139 734279896 /nfs/dbraw/zinc/27/98/96/734279896.db2.gz NTXYKEXCECXUHW-GOEBONIOSA-N 1 1 345.447 0.905 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000971117139 734279898 /nfs/dbraw/zinc/27/98/98/734279898.db2.gz NTXYKEXCECXUHW-GOEBONIOSA-N 1 1 345.447 0.905 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)Nc2ccnc(C#N)n2)C1 ZINC001098210089 734286633 /nfs/dbraw/zinc/28/66/33/734286633.db2.gz VUSIVKJSIACLKI-KBPBESRZSA-N 1 1 330.436 0.809 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ncc(C#N)cc2F)CCO1 ZINC001104318945 734286881 /nfs/dbraw/zinc/28/68/81/734286881.db2.gz WMXVARQWSRNQND-CQSZACIVSA-N 1 1 349.410 0.754 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001211503720 734296465 /nfs/dbraw/zinc/29/64/65/734296465.db2.gz GSHXVYLSHULDNQ-QGPMSJSTSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001211503720 734296468 /nfs/dbraw/zinc/29/64/68/734296468.db2.gz GSHXVYLSHULDNQ-QGPMSJSTSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001098548137 734319441 /nfs/dbraw/zinc/31/94/41/734319441.db2.gz PKKXYFYYHIPTFN-MRXNPFEDSA-N 1 1 335.448 0.163 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001149167244 734335740 /nfs/dbraw/zinc/33/57/40/734335740.db2.gz CGDFPUJUKCHUIG-HNNXBMFYSA-N 1 1 348.447 0.456 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001149167244 734335744 /nfs/dbraw/zinc/33/57/44/734335744.db2.gz CGDFPUJUKCHUIG-HNNXBMFYSA-N 1 1 348.447 0.456 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC000971235141 734378805 /nfs/dbraw/zinc/37/88/05/734378805.db2.gz DZJIKNHXMHVMDC-HUUCEWRRSA-N 1 1 345.447 0.960 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNc2ccc(C#N)nc2)C1 ZINC001111489300 734411256 /nfs/dbraw/zinc/41/12/56/734411256.db2.gz SAGHGGFBWPVGDH-AWEZNQCLSA-N 1 1 331.420 0.528 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104338260 734436626 /nfs/dbraw/zinc/43/66/26/734436626.db2.gz QRQBLLNPSQQLFJ-CQSZACIVSA-N 1 1 346.435 0.400 20 30 ECEDMO C[N@@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971376125 734488117 /nfs/dbraw/zinc/48/81/17/734488117.db2.gz HSRFJKOETXTMBI-CQSZACIVSA-N 1 1 343.387 0.182 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)C3=CCOCC3)C2)C1=O ZINC000971388086 734498537 /nfs/dbraw/zinc/49/85/37/734498537.db2.gz IWPGFUMEFUWYRT-HOTGVXAUSA-N 1 1 333.432 0.653 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2ccncc2C#N)CCO1 ZINC001104349848 734522558 /nfs/dbraw/zinc/52/25/58/734522558.db2.gz MHKLATYANZFLNF-HOCLYGCPSA-N 1 1 343.431 0.759 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3nccnc3C#N)CCO2)C1 ZINC001104350538 734527956 /nfs/dbraw/zinc/52/79/56/734527956.db2.gz ZAMLOSIDOTXNFM-KGLIPLIRSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3ncc[nH]3)C2)C1=O ZINC000971434500 734587727 /nfs/dbraw/zinc/58/77/27/734587727.db2.gz YCZXMILGUWNKGN-GJZGRUSLSA-N 1 1 345.447 0.662 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H]1CN(c2ncccc2C#N)CCO1)C1CCC1 ZINC001104353024 734596332 /nfs/dbraw/zinc/59/63/32/734596332.db2.gz NMWOEZVYQYEVBB-INIZCTEOSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971453091 734607881 /nfs/dbraw/zinc/60/78/81/734607881.db2.gz YOMYUWXWQKLTDW-UKRRQHHQSA-N 1 1 346.362 0.838 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971453091 734607884 /nfs/dbraw/zinc/60/78/84/734607884.db2.gz YOMYUWXWQKLTDW-UKRRQHHQSA-N 1 1 346.362 0.838 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971452276 734611836 /nfs/dbraw/zinc/61/18/36/734611836.db2.gz PXYFCTZQCDJDQG-GWCFXTLKSA-N 1 1 334.401 0.761 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971452734 734612846 /nfs/dbraw/zinc/61/28/46/734612846.db2.gz VHLSZDOPJWVKMQ-HIFRSBDPSA-N 1 1 346.362 0.838 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC000971512364 734701679 /nfs/dbraw/zinc/70/16/79/734701679.db2.gz BTMQXXFHNGGFMZ-GFCCVEGCSA-N 1 1 327.816 0.823 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC000971512364 734701682 /nfs/dbraw/zinc/70/16/82/734701682.db2.gz BTMQXXFHNGGFMZ-GFCCVEGCSA-N 1 1 327.816 0.823 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000971525437 734712363 /nfs/dbraw/zinc/71/23/63/734712363.db2.gz PBYVPQCDNOKHPQ-KGLIPLIRSA-N 1 1 331.420 0.871 20 30 ECEDMO CC(C)N(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125528081 734806619 /nfs/dbraw/zinc/80/66/19/734806619.db2.gz SIMRLFPEMMOQBJ-CQSZACIVSA-N 1 1 330.436 0.973 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC000971635257 734849984 /nfs/dbraw/zinc/84/99/84/734849984.db2.gz ZEWWOXXLORAFCY-ZIAGYGMSSA-N 1 1 343.855 0.767 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC000971635257 734849985 /nfs/dbraw/zinc/84/99/85/734849985.db2.gz ZEWWOXXLORAFCY-ZIAGYGMSSA-N 1 1 343.855 0.767 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CS(=O)(=O)C1 ZINC001025232850 738859362 /nfs/dbraw/zinc/85/93/62/738859362.db2.gz QNEHUIZUOYRQLP-HOTGVXAUSA-N 1 1 338.473 0.900 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CS(=O)(=O)C1 ZINC001025232850 738859368 /nfs/dbraw/zinc/85/93/68/738859368.db2.gz QNEHUIZUOYRQLP-HOTGVXAUSA-N 1 1 338.473 0.900 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CCCC2)C1 ZINC001104379429 735055980 /nfs/dbraw/zinc/05/59/80/735055980.db2.gz RWFVRVLJVKESOG-CYBMUJFWSA-N 1 1 344.419 0.520 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CCCC2)C1 ZINC001104379429 735055982 /nfs/dbraw/zinc/05/59/82/735055982.db2.gz RWFVRVLJVKESOG-CYBMUJFWSA-N 1 1 344.419 0.520 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000987928574 751344295 /nfs/dbraw/zinc/34/42/95/751344295.db2.gz VVMNHPKMJBFTCR-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)O1 ZINC000972072841 735612641 /nfs/dbraw/zinc/61/26/41/735612641.db2.gz GVDWQSMJUDKVLL-MWQQHZPXSA-N 1 1 345.443 0.178 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)O1 ZINC000972072841 735612644 /nfs/dbraw/zinc/61/26/44/735612644.db2.gz GVDWQSMJUDKVLL-MWQQHZPXSA-N 1 1 345.443 0.178 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972076015 735616049 /nfs/dbraw/zinc/61/60/49/735616049.db2.gz PMPLQGJJNITOKC-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC000972083566 735622024 /nfs/dbraw/zinc/62/20/24/735622024.db2.gz BFQXODVULFXKPW-IAGOWNOFSA-N 1 1 345.443 0.181 20 30 ECEDMO CN1C[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)NC1=O ZINC000972084483 735625717 /nfs/dbraw/zinc/62/57/17/735625717.db2.gz CQNVOOLUOZDNME-CVEARBPZSA-N 1 1 341.415 0.615 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H]3CC)[C@H]2C1 ZINC001083243162 735676773 /nfs/dbraw/zinc/67/67/73/735676773.db2.gz OFQUZMAXQDTUJW-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H]3CC)[C@H]2C1 ZINC001083243162 735676775 /nfs/dbraw/zinc/67/67/75/735676775.db2.gz OFQUZMAXQDTUJW-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CNC(=O)CC(C)(C)C)CC1 ZINC001098566605 735849302 /nfs/dbraw/zinc/84/93/02/735849302.db2.gz DWVKBDXAPWWQKA-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccn(C)c(=O)c1)CCO2 ZINC000972296246 735902439 /nfs/dbraw/zinc/90/24/39/735902439.db2.gz AXKZPSPCPMKCKA-KSSFIOAISA-N 1 1 344.415 0.348 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccn(C)c(=O)c1)CCO2 ZINC000972296246 735902442 /nfs/dbraw/zinc/90/24/42/735902442.db2.gz AXKZPSPCPMKCKA-KSSFIOAISA-N 1 1 344.415 0.348 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001058909013 751365287 /nfs/dbraw/zinc/36/52/87/751365287.db2.gz QLLLFQROUMHOJB-DOTOQJQBSA-N 1 1 343.431 0.417 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001058909013 751365294 /nfs/dbraw/zinc/36/52/94/751365294.db2.gz QLLLFQROUMHOJB-DOTOQJQBSA-N 1 1 343.431 0.417 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000972315987 735934491 /nfs/dbraw/zinc/93/44/91/735934491.db2.gz KNGHCCQPBGFGDF-SJLPKXTDSA-N 1 1 337.464 0.587 20 30 ECEDMO COC[C@@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972352574 735992998 /nfs/dbraw/zinc/99/29/98/735992998.db2.gz NQMPVCLZJXWIPC-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972352574 735993003 /nfs/dbraw/zinc/99/30/03/735993003.db2.gz NQMPVCLZJXWIPC-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394177 736114004 /nfs/dbraw/zinc/11/40/04/736114004.db2.gz AASUHUARKSAFLQ-QFBILLFUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394177 736114005 /nfs/dbraw/zinc/11/40/05/736114005.db2.gz AASUHUARKSAFLQ-QFBILLFUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cc(OC)no3)C2)C1 ZINC000972396587 736121144 /nfs/dbraw/zinc/12/11/44/736121144.db2.gz AKWLVVDEVCQFTR-GOSISDBHSA-N 1 1 347.415 0.942 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cc(OC)no3)C2)C1 ZINC000972396587 736121148 /nfs/dbraw/zinc/12/11/48/736121148.db2.gz AKWLVVDEVCQFTR-GOSISDBHSA-N 1 1 347.415 0.942 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3cc(C)on3)C2)C1 ZINC000972421090 736164708 /nfs/dbraw/zinc/16/47/08/736164708.db2.gz DLYWPLVBFXXXCO-QGZVFWFLSA-N 1 1 333.388 0.688 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)COc3cc(C)on3)C2)C1 ZINC000972421090 736164710 /nfs/dbraw/zinc/16/47/10/736164710.db2.gz DLYWPLVBFXXXCO-QGZVFWFLSA-N 1 1 333.388 0.688 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC000972423986 736171039 /nfs/dbraw/zinc/17/10/39/736171039.db2.gz XHTVOSOWBFMOEB-SFHVURJKSA-N 1 1 346.431 0.663 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C)N2CCCCC2=O)CC1 ZINC001098571818 736195322 /nfs/dbraw/zinc/19/53/22/736195322.db2.gz XJFAIMCMHGWKBK-MRXNPFEDSA-N 1 1 349.475 0.696 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CN(C)C)on3)C2)C1 ZINC000972443549 736208335 /nfs/dbraw/zinc/20/83/35/736208335.db2.gz IYAHEAPVTQUAOE-SFHVURJKSA-N 1 1 346.431 0.676 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CN(C)C)on3)C2)C1 ZINC000972443549 736208339 /nfs/dbraw/zinc/20/83/39/736208339.db2.gz IYAHEAPVTQUAOE-SFHVURJKSA-N 1 1 346.431 0.676 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001078226851 782521876 /nfs/dbraw/zinc/52/18/76/782521876.db2.gz XINQHTWQQNDGHU-CHWSQXEVSA-N 1 1 325.434 0.264 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972479571 736301947 /nfs/dbraw/zinc/30/19/47/736301947.db2.gz CVFILGHALMGOQX-KRWDZBQOSA-N 1 1 333.388 0.872 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972479571 736301950 /nfs/dbraw/zinc/30/19/50/736301950.db2.gz CVFILGHALMGOQX-KRWDZBQOSA-N 1 1 333.388 0.872 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cnc(C)cn3)C2)nn1 ZINC000972502718 736433066 /nfs/dbraw/zinc/43/30/66/736433066.db2.gz YAOXMZATWUIIMQ-OAHLLOKOSA-N 1 1 341.419 0.909 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cnc(C)cn3)C2)nn1 ZINC000972502718 736433067 /nfs/dbraw/zinc/43/30/67/736433067.db2.gz YAOXMZATWUIIMQ-OAHLLOKOSA-N 1 1 341.419 0.909 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H](C)OC2(CC[NH+](Cc3cnnn3C)CC2)C1 ZINC001098574790 736438976 /nfs/dbraw/zinc/43/89/76/736438976.db2.gz UGQOIKVHDANWBE-KBPBESRZSA-N 1 1 346.435 0.557 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(C)ncn3)C2)nn1 ZINC000972507286 736463907 /nfs/dbraw/zinc/46/39/07/736463907.db2.gz RXDFLPWZWQLBFJ-OAHLLOKOSA-N 1 1 341.419 0.909 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(C)ncn3)C2)nn1 ZINC000972507286 736463911 /nfs/dbraw/zinc/46/39/11/736463911.db2.gz RXDFLPWZWQLBFJ-OAHLLOKOSA-N 1 1 341.419 0.909 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)CCCC)CC1 ZINC001098575335 736496601 /nfs/dbraw/zinc/49/66/01/736496601.db2.gz KYYVMJWHDPJKIG-UHFFFAOYSA-N 1 1 346.493 0.673 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001098575507 736504262 /nfs/dbraw/zinc/50/42/62/736504262.db2.gz SCPCQJJUDGYMLN-AWEZNQCLSA-N 1 1 346.493 0.529 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)nn1 ZINC000972518322 736536738 /nfs/dbraw/zinc/53/67/38/736536738.db2.gz TVYUMSNREROSBW-DZGCQCFKSA-N 1 1 346.435 0.231 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000972521552 736553753 /nfs/dbraw/zinc/55/37/53/736553753.db2.gz SJKLWHRBQPFGCU-CQSZACIVSA-N 1 1 334.424 0.288 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccnn3C)C2)C1=O ZINC001023267465 736632132 /nfs/dbraw/zinc/63/21/32/736632132.db2.gz UICJOBSPZRTAPD-HOCLYGCPSA-N 1 1 345.447 0.649 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000972539926 736633773 /nfs/dbraw/zinc/63/37/73/736633773.db2.gz KJLVNAPMRGPZES-ZWKOTPCHSA-N 1 1 335.448 0.925 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023295868 736655699 /nfs/dbraw/zinc/65/56/99/736655699.db2.gz JYTSXUFPZPQLPG-LBPRGKRZSA-N 1 1 338.433 0.373 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023295868 736655700 /nfs/dbraw/zinc/65/57/00/736655700.db2.gz JYTSXUFPZPQLPG-LBPRGKRZSA-N 1 1 338.433 0.373 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001023296427 736656026 /nfs/dbraw/zinc/65/60/26/736656026.db2.gz XACLUBCBJKHJLZ-SMDDNHRTSA-N 1 1 343.387 0.133 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001023297327 736660034 /nfs/dbraw/zinc/66/00/34/736660034.db2.gz JXFIRMOVTUILRF-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)c[nH]1 ZINC001023319899 736680110 /nfs/dbraw/zinc/68/01/10/736680110.db2.gz HSNDUMQKJHAEQF-ZDUSSCGKSA-N 1 1 344.419 0.353 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC000972553950 736720135 /nfs/dbraw/zinc/72/01/35/736720135.db2.gz LSCFMIWDIFHJNZ-VKJFTORMSA-N 1 1 335.448 0.767 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC000972553950 736720140 /nfs/dbraw/zinc/72/01/40/736720140.db2.gz LSCFMIWDIFHJNZ-VKJFTORMSA-N 1 1 335.448 0.767 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC000972554320 736726646 /nfs/dbraw/zinc/72/66/46/736726646.db2.gz OBNJEUUBQLEUGG-VKJFTORMSA-N 1 1 333.432 0.215 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC000972554320 736726649 /nfs/dbraw/zinc/72/66/49/736726649.db2.gz OBNJEUUBQLEUGG-VKJFTORMSA-N 1 1 333.432 0.215 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023365430 736738793 /nfs/dbraw/zinc/73/87/93/736738793.db2.gz CYSDCKKXJMOMSS-KBPBESRZSA-N 1 1 329.404 0.224 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023365431 736739154 /nfs/dbraw/zinc/73/91/54/736739154.db2.gz CYSDCKKXJMOMSS-KGLIPLIRSA-N 1 1 329.404 0.224 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cn(C)nn2)C1 ZINC001023424035 736806846 /nfs/dbraw/zinc/80/68/46/736806846.db2.gz MEVQFNAZRAJTTD-WBVHZDCISA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cn(C)nn2)C1 ZINC001023424035 736806851 /nfs/dbraw/zinc/80/68/51/736806851.db2.gz MEVQFNAZRAJTTD-WBVHZDCISA-N 1 1 344.463 0.241 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC000972564392 736814025 /nfs/dbraw/zinc/81/40/25/736814025.db2.gz FNUFJMJRHCHIBH-CABCVRRESA-N 1 1 345.447 0.960 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023448564 736852015 /nfs/dbraw/zinc/85/20/15/736852015.db2.gz RXWXVZUBWHLICM-ZIAGYGMSSA-N 1 1 333.436 0.950 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cncn3C)C2)C1=O ZINC001023471132 736883211 /nfs/dbraw/zinc/88/32/11/736883211.db2.gz DMCJZPXROOEZKB-CABCVRRESA-N 1 1 345.447 0.649 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001023476315 736886049 /nfs/dbraw/zinc/88/60/49/736886049.db2.gz LCFYVCDSOXTAKE-OAHLLOKOSA-N 1 1 348.447 0.908 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC001023543804 736987937 /nfs/dbraw/zinc/98/79/37/736987937.db2.gz QXSFRMOFWJJYHI-OAHLLOKOSA-N 1 1 339.403 0.724 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001023547307 736990098 /nfs/dbraw/zinc/99/00/98/736990098.db2.gz IXSDOBFULTYBFP-ZOFXXKQRSA-N 1 1 347.459 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3ccnnc3)C2)C1=O ZINC001023618917 737087731 /nfs/dbraw/zinc/08/77/31/737087731.db2.gz YFXRWZMDUZVWJC-ZBFHGGJFSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972618447 737110174 /nfs/dbraw/zinc/11/01/74/737110174.db2.gz YXAAGZWSKSWMRJ-LPHOPBHVSA-N 1 1 344.459 0.925 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972618447 737110178 /nfs/dbraw/zinc/11/01/78/737110178.db2.gz YXAAGZWSKSWMRJ-LPHOPBHVSA-N 1 1 344.459 0.925 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001023639380 737127089 /nfs/dbraw/zinc/12/70/89/737127089.db2.gz GZHIOZPGQGWMNS-UKRRQHHQSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972628249 737152990 /nfs/dbraw/zinc/15/29/90/737152990.db2.gz PKKGKUKPIZLWSC-YJBOKZPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972628249 737152993 /nfs/dbraw/zinc/15/29/93/737152993.db2.gz PKKGKUKPIZLWSC-YJBOKZPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001023694823 737209355 /nfs/dbraw/zinc/20/93/55/737209355.db2.gz LVXNSPZFMJUDIB-CQSZACIVSA-N 1 1 327.388 0.994 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)nc1 ZINC001023708983 737227527 /nfs/dbraw/zinc/22/75/27/737227527.db2.gz NWGXVCVZZQUILS-UKRRQHHQSA-N 1 1 328.416 0.639 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023753500 737299833 /nfs/dbraw/zinc/29/98/33/737299833.db2.gz HRQUAIQSSULWOM-UONOGXRCSA-N 1 1 329.466 0.473 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000972670006 737319652 /nfs/dbraw/zinc/31/96/52/737319652.db2.gz WUTOWZVFLLHDAG-SFHVURJKSA-N 1 1 349.431 0.405 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](CCCC)NC(N)=O)CC1 ZINC001098581912 737326184 /nfs/dbraw/zinc/32/61/84/737326184.db2.gz GAXJGWYGDZEFJJ-HNNXBMFYSA-N 1 1 338.452 0.132 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972673412 737342463 /nfs/dbraw/zinc/34/24/63/737342463.db2.gz HXRLIWADGOUHSS-QGZVFWFLSA-N 1 1 330.388 0.054 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972673412 737342467 /nfs/dbraw/zinc/34/24/67/737342467.db2.gz HXRLIWADGOUHSS-QGZVFWFLSA-N 1 1 330.388 0.054 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972674449 737344930 /nfs/dbraw/zinc/34/49/30/737344930.db2.gz PNBMJJJDBMVMTD-GOSISDBHSA-N 1 1 335.448 0.878 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972674409 737345238 /nfs/dbraw/zinc/34/52/38/737345238.db2.gz PFQITXQEODQMOA-GOSISDBHSA-N 1 1 346.431 0.997 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972674356 737345399 /nfs/dbraw/zinc/34/53/99/737345399.db2.gz OABBFFKDCCTTRX-APWZRJJASA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972674356 737345401 /nfs/dbraw/zinc/34/54/01/737345401.db2.gz OABBFFKDCCTTRX-APWZRJJASA-N 1 1 347.459 0.714 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972678151 737363740 /nfs/dbraw/zinc/36/37/40/737363740.db2.gz ROENAIFERPEGPK-QGZVFWFLSA-N 1 1 348.403 0.801 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC000972694183 737404090 /nfs/dbraw/zinc/40/40/90/737404090.db2.gz NLYNIPXDAQUHKB-QGZVFWFLSA-N 1 1 334.420 0.217 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC000972694183 737404091 /nfs/dbraw/zinc/40/40/91/737404091.db2.gz NLYNIPXDAQUHKB-QGZVFWFLSA-N 1 1 334.420 0.217 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC001023895816 737466243 /nfs/dbraw/zinc/46/62/43/737466243.db2.gz UHBBTHKTNICXKP-STQMWFEESA-N 1 1 335.408 0.746 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001023907398 737473963 /nfs/dbraw/zinc/47/39/63/737473963.db2.gz VANPNNOTOUJXFS-GDBMZVCRSA-N 1 1 345.447 0.567 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001023980482 737578590 /nfs/dbraw/zinc/57/85/90/737578590.db2.gz QCZSKDCHNALEAX-ZJIFWQFVSA-N 1 1 349.475 0.761 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cn(CC)cn3)C2)C1=O ZINC000972740781 737580317 /nfs/dbraw/zinc/58/03/17/737580317.db2.gz SUKKHVORUFSUSQ-GOEBONIOSA-N 1 1 345.447 0.836 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)cn1 ZINC000972754952 737595794 /nfs/dbraw/zinc/59/57/94/737595794.db2.gz AGUJRDMWEMURPS-HOTGVXAUSA-N 1 1 326.400 0.440 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C)NC(=O)C2CCC2)CC1 ZINC001098583701 737605191 /nfs/dbraw/zinc/60/51/91/737605191.db2.gz ATHSOTMYICSPEA-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cnccn3)C(C)(C)C2)C1=O ZINC000972769761 737616240 /nfs/dbraw/zinc/61/62/40/737616240.db2.gz PQNUPXNEBVXLAV-HUUCEWRRSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cnccn3)C(C)(C)C2)C1=O ZINC000972769761 737616242 /nfs/dbraw/zinc/61/62/42/737616242.db2.gz PQNUPXNEBVXLAV-HUUCEWRRSA-N 1 1 343.431 0.704 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCc2cn(C)nn2)CC1 ZINC001098583977 737624549 /nfs/dbraw/zinc/62/45/49/737624549.db2.gz HWQZLFGUNZMLHZ-UHFFFAOYSA-N 1 1 333.436 0.056 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC000972835254 737759081 /nfs/dbraw/zinc/75/90/81/737759081.db2.gz SLMQGYBLGXWDQV-VNQPRFMTSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC000972835254 737759084 /nfs/dbraw/zinc/75/90/84/737759084.db2.gz SLMQGYBLGXWDQV-VNQPRFMTSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc[nH]n3)C[C@H]21 ZINC000972835254 737759088 /nfs/dbraw/zinc/75/90/88/737759088.db2.gz SLMQGYBLGXWDQV-VNQPRFMTSA-N 1 1 341.415 0.180 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000972855456 737776888 /nfs/dbraw/zinc/77/68/88/737776888.db2.gz USANOPRWLIZPAI-KLHDSHLOSA-N 1 1 349.475 0.977 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000972855456 737776891 /nfs/dbraw/zinc/77/68/91/737776891.db2.gz USANOPRWLIZPAI-KLHDSHLOSA-N 1 1 349.475 0.977 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001024268483 737864597 /nfs/dbraw/zinc/86/45/97/737864597.db2.gz VUXWSXKEOVPKJR-IRXDYDNUSA-N 1 1 348.491 0.697 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N2CCC2)c1 ZINC001024382053 737929383 /nfs/dbraw/zinc/92/93/83/737929383.db2.gz IFQXHVBZHHZIOM-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N2CCC2)c1 ZINC001024382053 737929385 /nfs/dbraw/zinc/92/93/85/737929385.db2.gz IFQXHVBZHHZIOM-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H](n2ccnn2)C1 ZINC001069995713 790291505 /nfs/dbraw/zinc/29/15/05/790291505.db2.gz VTMSBTDWRJJRJW-CVEARBPZSA-N 1 1 340.387 0.360 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H](n2ccnn2)C1 ZINC001069995713 790291508 /nfs/dbraw/zinc/29/15/08/790291508.db2.gz VTMSBTDWRJJRJW-CVEARBPZSA-N 1 1 340.387 0.360 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001024541551 738081537 /nfs/dbraw/zinc/08/15/37/738081537.db2.gz NGFPLYGZWJWKFI-AWEZNQCLSA-N 1 1 332.404 0.107 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cnnn4)cc3)[C@H]2C1 ZINC001083267703 738107574 /nfs/dbraw/zinc/10/75/74/738107574.db2.gz NUUIGASERSOHJU-JKSUJKDBSA-N 1 1 340.387 0.374 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cnnn4)cc3)[C@H]2C1 ZINC001083267703 738107576 /nfs/dbraw/zinc/10/75/76/738107576.db2.gz NUUIGASERSOHJU-JKSUJKDBSA-N 1 1 340.387 0.374 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087288052 738119747 /nfs/dbraw/zinc/11/97/47/738119747.db2.gz QRRIXLKLQSBPOU-KFWWJZLASA-N 1 1 338.473 0.660 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCCNC3=O)C(C)(C)[C@H]21 ZINC001087293728 738136354 /nfs/dbraw/zinc/13/63/54/738136354.db2.gz JDRUXMLRXXMAFQ-BMFZPTHFSA-N 1 1 332.448 0.640 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1 ZINC001024627197 738178759 /nfs/dbraw/zinc/17/87/59/738178759.db2.gz JXVFDNDOPALZOE-HZPDHXFCSA-N 1 1 341.415 0.710 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CC(=O)NC1=O ZINC001087307751 738225159 /nfs/dbraw/zinc/22/51/59/738225159.db2.gz GJNVZXZVLYDWCQ-UHOFOFEASA-N 1 1 346.431 0.167 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N(C)C)nn1 ZINC001024699134 738229290 /nfs/dbraw/zinc/22/92/90/738229290.db2.gz OPVLKJJTGICFJL-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N(C)C)nn1 ZINC001024699134 738229293 /nfs/dbraw/zinc/22/92/93/738229293.db2.gz OPVLKJJTGICFJL-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087309044 738234888 /nfs/dbraw/zinc/23/48/88/738234888.db2.gz ZKCJZMMZIMLUPG-WQVCFCJDSA-N 1 1 346.431 0.167 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C(C)(C)[C@H]21 ZINC001087309624 738236420 /nfs/dbraw/zinc/23/64/20/738236420.db2.gz JUNDMNSDEFVAOK-WQVCFCJDSA-N 1 1 333.432 0.830 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC001087316867 738272875 /nfs/dbraw/zinc/27/28/75/738272875.db2.gz YPONYMOCYOROKC-UHOFOFEASA-N 1 1 328.416 0.632 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N(C)C)cn1 ZINC001024769611 738277662 /nfs/dbraw/zinc/27/76/62/738277662.db2.gz JRWYCMHJTMLJSM-MRXNPFEDSA-N 1 1 328.416 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N(C)C)cn1 ZINC001024769611 738277665 /nfs/dbraw/zinc/27/76/65/738277665.db2.gz JRWYCMHJTMLJSM-MRXNPFEDSA-N 1 1 328.416 0.735 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001024814176 738314088 /nfs/dbraw/zinc/31/40/88/738314088.db2.gz PAKOLYCVHFKFRD-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)Nc3cc(C)on3)[C@H]2C1 ZINC001083273238 738366011 /nfs/dbraw/zinc/36/60/11/738366011.db2.gz IEPOTVJQDKVLQS-UONOGXRCSA-N 1 1 348.403 0.799 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001025276637 738997369 /nfs/dbraw/zinc/99/73/69/738997369.db2.gz JWBPOCDFQNASGG-HZPDHXFCSA-N 1 1 345.443 0.908 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001025277844 739000096 /nfs/dbraw/zinc/00/00/96/739000096.db2.gz PZLMWYDGVMEETA-HZPDHXFCSA-N 1 1 345.443 0.908 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001025277846 739000160 /nfs/dbraw/zinc/00/01/60/739000160.db2.gz PZLMWYDGVMEETA-JKSUJKDBSA-N 1 1 345.443 0.908 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025282164 739005079 /nfs/dbraw/zinc/00/50/79/739005079.db2.gz ZUWAILJVYBAKAJ-HUUCEWRRSA-N 1 1 346.431 0.407 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccncc2C#N)C1 ZINC001104578922 739009221 /nfs/dbraw/zinc/00/92/21/739009221.db2.gz GJRNPMGXGIYJSK-BBRMVZONSA-N 1 1 331.420 0.355 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccncc2C#N)C1 ZINC001104578922 739009225 /nfs/dbraw/zinc/00/92/25/739009225.db2.gz GJRNPMGXGIYJSK-BBRMVZONSA-N 1 1 331.420 0.355 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000973291757 739043514 /nfs/dbraw/zinc/04/35/14/739043514.db2.gz BKRZPZKDCXDESZ-GVRJEKJASA-N 1 1 335.448 0.683 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2nccnc2C#N)C1 ZINC001104579952 739087523 /nfs/dbraw/zinc/08/75/23/739087523.db2.gz SUAFJLOJTGGEGH-JSGCOSHPSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2nccnc2C#N)C1 ZINC001104579952 739087528 /nfs/dbraw/zinc/08/75/28/739087528.db2.gz SUAFJLOJTGGEGH-JSGCOSHPSA-N 1 1 332.408 0.328 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000973330857 739097099 /nfs/dbraw/zinc/09/70/99/739097099.db2.gz CUDUODYYWHVEGO-SJJUBHFPSA-N 1 1 335.448 0.681 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)N(C)C)nn1 ZINC001028187169 751418632 /nfs/dbraw/zinc/41/86/32/751418632.db2.gz DRBTWGWCYCWIFG-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C)nn1 ZINC001028187169 751418635 /nfs/dbraw/zinc/41/86/35/751418635.db2.gz DRBTWGWCYCWIFG-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000973410340 739223113 /nfs/dbraw/zinc/22/31/13/739223113.db2.gz DCAUDVRRLOBMCS-KPLDXPABSA-N 1 1 345.443 0.415 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000973410340 739223116 /nfs/dbraw/zinc/22/31/16/739223116.db2.gz DCAUDVRRLOBMCS-KPLDXPABSA-N 1 1 345.443 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CC2=CCOCC2)C1 ZINC000973410725 739224106 /nfs/dbraw/zinc/22/41/06/739224106.db2.gz NFVONVHSUZPZEL-ULQDDVLXSA-N 1 1 345.443 0.584 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CC2=CCOCC2)C1 ZINC000973410725 739224109 /nfs/dbraw/zinc/22/41/09/739224109.db2.gz NFVONVHSUZPZEL-ULQDDVLXSA-N 1 1 345.443 0.584 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001112011416 739349649 /nfs/dbraw/zinc/34/96/49/739349649.db2.gz NWYAVCWUKYPDAQ-DZKIICNBSA-N 1 1 326.462 0.661 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000973484997 739379202 /nfs/dbraw/zinc/37/92/02/739379202.db2.gz BOLXVBLVIGOVTC-OSMBCOQSSA-N 1 1 340.427 0.638 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnccn3)C2)nn1 ZINC001098600423 739465167 /nfs/dbraw/zinc/46/51/67/739465167.db2.gz AMPKUNJBOZZKBJ-CQSZACIVSA-N 1 1 327.392 0.821 20 30 ECEDMO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001104704690 739509789 /nfs/dbraw/zinc/50/97/89/739509789.db2.gz BPTHBSFBZKIEJS-CHWSQXEVSA-N 1 1 339.403 0.803 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC(=O)NC)C2)c1 ZINC001025527899 739690693 /nfs/dbraw/zinc/69/06/93/739690693.db2.gz NJLUEZIYSJYNNR-ZFWWWQNUSA-N 1 1 328.416 0.639 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC(=O)NC)C2)nn1 ZINC001025558591 739718161 /nfs/dbraw/zinc/71/81/61/739718161.db2.gz OEONDXIRKIABQV-KBPBESRZSA-N 1 1 348.451 0.431 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025613860 739776351 /nfs/dbraw/zinc/77/63/51/739776351.db2.gz CCAOKHDIUBUSAI-CHWSQXEVSA-N 1 1 329.404 0.429 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025614872 739777671 /nfs/dbraw/zinc/77/76/71/739777671.db2.gz PQCXZLYFMLILOR-QWHCGFSZSA-N 1 1 331.420 0.982 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025618267 739780634 /nfs/dbraw/zinc/78/06/34/739780634.db2.gz KGOIYLUBIRCBKG-OLZOCXBDSA-N 1 1 332.404 0.340 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCOC2)C1=O ZINC001025716691 739891303 /nfs/dbraw/zinc/89/13/03/739891303.db2.gz XHBHXCREPBBURA-GAGVYUBLSA-N 1 1 333.432 0.246 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCOC2)C1=O ZINC001025716690 739891507 /nfs/dbraw/zinc/89/15/07/739891507.db2.gz XHBHXCREPBBURA-DEQQHWRFSA-N 1 1 333.432 0.246 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058658754 739901095 /nfs/dbraw/zinc/90/10/95/739901095.db2.gz KTWZIVRYLLQILY-CYBMUJFWSA-N 1 1 335.408 0.103 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC(OCC)C2)C1=O ZINC001025766627 739932303 /nfs/dbraw/zinc/93/23/03/739932303.db2.gz NZBXONATGJRVHI-RMGMUHOQSA-N 1 1 347.459 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3nc(C)no3)C[C@H]21 ZINC001025814050 739996507 /nfs/dbraw/zinc/99/65/07/739996507.db2.gz JLDHGWVHYVAPMZ-HVQZGBDUSA-N 1 1 343.431 0.583 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3nc(C)no3)C[C@H]21 ZINC001025814050 739996509 /nfs/dbraw/zinc/99/65/09/739996509.db2.gz JLDHGWVHYVAPMZ-HVQZGBDUSA-N 1 1 343.431 0.583 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CCOC2)[C@@H](n2ccnn2)C1 ZINC001070007140 790307795 /nfs/dbraw/zinc/30/77/95/790307795.db2.gz WBVGBBYOETXVBE-YCPHGPKFSA-N 1 1 337.399 0.714 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)CCO2 ZINC001068464071 790320679 /nfs/dbraw/zinc/32/06/79/790320679.db2.gz VZTGLJSKKIXIHY-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2cc[nH]n2)C1 ZINC000988084987 751513813 /nfs/dbraw/zinc/51/38/13/751513813.db2.gz BTPZIXJVJMKASM-HOCLYGCPSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2cc[nH]n2)C1 ZINC000988084987 751513820 /nfs/dbraw/zinc/51/38/20/751513820.db2.gz BTPZIXJVJMKASM-HOCLYGCPSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2ccn[nH]2)C1 ZINC000988084987 751513822 /nfs/dbraw/zinc/51/38/22/751513822.db2.gz BTPZIXJVJMKASM-HOCLYGCPSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2ccn[nH]2)C1 ZINC000988084987 751513829 /nfs/dbraw/zinc/51/38/29/751513829.db2.gz BTPZIXJVJMKASM-HOCLYGCPSA-N 1 1 343.431 0.428 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001078233349 782533122 /nfs/dbraw/zinc/53/31/22/782533122.db2.gz WKNHOMBIJSTWML-HUUCEWRRSA-N 1 1 329.404 0.628 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H](n2ccnn2)C1 ZINC001070009005 790313064 /nfs/dbraw/zinc/31/30/64/790313064.db2.gz FBYGFLHHBBXBIX-CVEARBPZSA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H](n2ccnn2)C1 ZINC001070009005 790313068 /nfs/dbraw/zinc/31/30/68/790313068.db2.gz FBYGFLHHBBXBIX-CVEARBPZSA-N 1 1 337.387 0.996 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001068463425 790318591 /nfs/dbraw/zinc/31/85/91/790318591.db2.gz GCDZKYYDBWEEPL-CVEARBPZSA-N 1 1 347.459 0.283 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCO)C2)c1 ZINC001087389019 740317170 /nfs/dbraw/zinc/31/71/70/740317170.db2.gz CWYLYCAJXOVQLV-DKIMLUQUSA-N 1 1 325.412 0.838 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@@H](C)O2)C1=O ZINC001026058560 740345332 /nfs/dbraw/zinc/34/53/32/740345332.db2.gz KCIPDYPKAHOTJP-AQGHMYMLSA-N 1 1 333.432 0.387 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001114945317 740385480 /nfs/dbraw/zinc/38/54/80/740385480.db2.gz MRWLTKJMAGROQU-RFQIPJPRSA-N 1 1 329.466 0.183 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1 ZINC000982067514 751547352 /nfs/dbraw/zinc/54/73/52/751547352.db2.gz AENRXLJEMSBFQZ-UHFFFAOYSA-N 1 1 332.404 0.085 20 30 ECEDMO CN(C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccnc(C#N)n1 ZINC001058690611 740479482 /nfs/dbraw/zinc/47/94/82/740479482.db2.gz OSHLPRBYZSBLJQ-GJZGRUSLSA-N 1 1 342.447 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC000973898236 740566437 /nfs/dbraw/zinc/56/64/37/740566437.db2.gz ACXCTCLUNVEONW-LZWOXQAQSA-N 1 1 343.431 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC000973898236 740566439 /nfs/dbraw/zinc/56/64/39/740566439.db2.gz ACXCTCLUNVEONW-LZWOXQAQSA-N 1 1 343.431 0.447 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC000982087764 751556294 /nfs/dbraw/zinc/55/62/94/751556294.db2.gz BKMIMITYUYWRIT-UHFFFAOYSA-N 1 1 342.443 0.808 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000973943856 740648786 /nfs/dbraw/zinc/64/87/86/740648786.db2.gz CMKPDJKDZIKTAV-JONQDZQNSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000973943856 740648788 /nfs/dbraw/zinc/64/87/88/740648788.db2.gz CMKPDJKDZIKTAV-JONQDZQNSA-N 1 1 333.432 0.274 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001112055826 740679530 /nfs/dbraw/zinc/67/95/30/740679530.db2.gz VJMPLZONWCVTJX-HNNXBMFYSA-N 1 1 346.435 0.272 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001112055826 740679532 /nfs/dbraw/zinc/67/95/32/740679532.db2.gz VJMPLZONWCVTJX-HNNXBMFYSA-N 1 1 346.435 0.272 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CC2CCOCC2)C1 ZINC000973968865 740693069 /nfs/dbraw/zinc/69/30/69/740693069.db2.gz OXCRXXBZFQLMTK-BBWFWOEESA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CC2CCOCC2)C1 ZINC000973968865 740693071 /nfs/dbraw/zinc/69/30/71/740693071.db2.gz OXCRXXBZFQLMTK-BBWFWOEESA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1ncnc2nc[nH]c21 ZINC001104861780 740747986 /nfs/dbraw/zinc/74/79/86/740747986.db2.gz AJUVSIYFVNWGNY-OLZOCXBDSA-N 1 1 341.419 0.661 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC000982080778 751575142 /nfs/dbraw/zinc/57/51/42/751575142.db2.gz TUBJOAYZCCMYSH-UHFFFAOYSA-N 1 1 344.415 0.686 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974042123 740831891 /nfs/dbraw/zinc/83/18/91/740831891.db2.gz YREISBZGISUXMM-SCUASFONSA-N 1 1 329.404 0.461 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2coc(CC)n2)C1 ZINC000974050215 740841268 /nfs/dbraw/zinc/84/12/68/740841268.db2.gz ITEMNBXEWHWEJX-GUTXKFCHSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2coc(CC)n2)C1 ZINC000974050215 740841271 /nfs/dbraw/zinc/84/12/71/740841271.db2.gz ITEMNBXEWHWEJX-GUTXKFCHSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccnn2CC)C1 ZINC000974066642 740872224 /nfs/dbraw/zinc/87/22/24/740872224.db2.gz HKSQYHUOAHCLSZ-ZNMIVQPWSA-N 1 1 343.431 0.378 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccnn2CC)C1 ZINC000974066642 740872225 /nfs/dbraw/zinc/87/22/25/740872225.db2.gz HKSQYHUOAHCLSZ-ZNMIVQPWSA-N 1 1 343.431 0.378 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)N3CCOCC3)[C@H]2C1 ZINC001083293516 740931517 /nfs/dbraw/zinc/93/15/17/740931517.db2.gz IBVBPWAUPPSSOJ-YESZJQIVSA-N 1 1 337.464 0.585 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000974148135 741007950 /nfs/dbraw/zinc/00/79/50/741007950.db2.gz PXTPDBRFUKUARY-CWRNSKLLSA-N 1 1 326.400 0.392 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cccnn2)C1=O ZINC001028216695 751598170 /nfs/dbraw/zinc/59/81/70/751598170.db2.gz JVESOLVZXBUCIY-HIFRSBDPSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cccnn2)C1=O ZINC001028216695 751598172 /nfs/dbraw/zinc/59/81/72/751598172.db2.gz JVESOLVZXBUCIY-HIFRSBDPSA-N 1 1 329.404 0.458 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC000982113404 751605798 /nfs/dbraw/zinc/60/57/98/751605798.db2.gz NLGWGGPVNICRLC-UHFFFAOYSA-N 1 1 348.447 0.771 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3ccnc4nc(C)nn43)C2)C1 ZINC000982113945 751607196 /nfs/dbraw/zinc/60/71/96/751607196.db2.gz SRGKRDNNFOCACJ-UHFFFAOYSA-N 1 1 338.415 0.994 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000974262751 741192826 /nfs/dbraw/zinc/19/28/26/741192826.db2.gz HYSZMNHQIKMXGA-URRYWWILSA-N 1 1 329.444 0.894 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000974262751 741192831 /nfs/dbraw/zinc/19/28/31/741192831.db2.gz HYSZMNHQIKMXGA-URRYWWILSA-N 1 1 329.444 0.894 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC000974265492 741197705 /nfs/dbraw/zinc/19/77/05/741197705.db2.gz NGHFEGRMUKDSMS-MJBXVCDLSA-N 1 1 345.399 0.763 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC000974265492 741197707 /nfs/dbraw/zinc/19/77/07/741197707.db2.gz NGHFEGRMUKDSMS-MJBXVCDLSA-N 1 1 345.399 0.763 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C2CC2)C[C@H]1C(F)(F)F ZINC001112077988 741306220 /nfs/dbraw/zinc/30/62/20/741306220.db2.gz PATQRSGZSGHVRW-RAIGVLPGSA-N 1 1 345.365 0.761 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3cnccn3)C2)nn1 ZINC001105141882 741411443 /nfs/dbraw/zinc/41/14/43/741411443.db2.gz CJLXUPXWPMSKSH-UHFFFAOYSA-N 1 1 343.391 0.057 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC000982148813 751634058 /nfs/dbraw/zinc/63/40/58/751634058.db2.gz XGLYCBVZEXECMO-UHFFFAOYSA-N 1 1 330.388 0.047 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(n2cc(C[NH2+]CCOC3CCC3)nn2)C1 ZINC001105190282 741453654 /nfs/dbraw/zinc/45/36/54/741453654.db2.gz VDVDTTDIVLESOP-GFCCVEGCSA-N 1 1 332.408 0.480 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCCO3)C2)nn1 ZINC001105211649 741481613 /nfs/dbraw/zinc/48/16/13/741481613.db2.gz UUXLNOJVUNOZTP-INIZCTEOSA-N 1 1 349.435 0.523 20 30 ECEDMO COC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001105217700 741482030 /nfs/dbraw/zinc/48/20/30/741482030.db2.gz GAGGLHGVOFFAHL-NSHDSACASA-N 1 1 343.391 0.299 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccoc3)C2)nn1 ZINC001105218045 741483270 /nfs/dbraw/zinc/48/32/70/741483270.db2.gz UHOGHOQBYQBEHW-UHFFFAOYSA-N 1 1 345.403 0.789 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000982146734 751644109 /nfs/dbraw/zinc/64/41/09/751644109.db2.gz BVQWQPFYCXWIBE-UHFFFAOYSA-N 1 1 330.388 0.869 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3nn(C)cc3C)C2)nn1 ZINC001105235796 741527735 /nfs/dbraw/zinc/52/77/35/741527735.db2.gz SUPLHMKJVJIDNK-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240588 741533924 /nfs/dbraw/zinc/53/39/24/741533924.db2.gz SSJGAZWYPLEHBD-INIZCTEOSA-N 1 1 330.436 0.257 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnnn3CC)[C@H]2C)C1=O ZINC001088556055 751646304 /nfs/dbraw/zinc/64/63/04/751646304.db2.gz HOPGZPRMWPJMFP-HZSPNIEDSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnnn3CC)[C@H]2C)C1=O ZINC001088556055 751646311 /nfs/dbraw/zinc/64/63/11/751646311.db2.gz HOPGZPRMWPJMFP-HZSPNIEDSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CNC(=O)C3CCCC3)C2)nn1 ZINC001105247231 741547954 /nfs/dbraw/zinc/54/79/54/741547954.db2.gz VNQSHKPWHZGSQM-UHFFFAOYSA-N 1 1 346.435 0.243 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CCC([NH2+]Cc3nnn(C)n3)CC2)nc1 ZINC001026595459 741591962 /nfs/dbraw/zinc/59/19/62/741591962.db2.gz YYZYLAZTZVXWCX-UHFFFAOYSA-N 1 1 339.403 0.417 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001105264391 741595383 /nfs/dbraw/zinc/59/53/83/741595383.db2.gz HHFPFXYWMSAMMR-INIZCTEOSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268363 741610235 /nfs/dbraw/zinc/61/02/35/741610235.db2.gz LCOLNSUHQABJCO-MRXNPFEDSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001105268363 741610238 /nfs/dbraw/zinc/61/02/38/741610238.db2.gz LCOLNSUHQABJCO-MRXNPFEDSA-N 1 1 330.436 0.259 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(OC)c3)C2)nn1 ZINC001105275551 741621815 /nfs/dbraw/zinc/62/18/15/741621815.db2.gz ULLCLRMGZXGTLG-UHFFFAOYSA-N 1 1 328.376 0.654 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001112094211 741643085 /nfs/dbraw/zinc/64/30/85/741643085.db2.gz XYXMKKPCIHKWOK-IJLUTSLNSA-N 1 1 333.354 0.903 20 30 ECEDMO CC(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1C)Nc1ccnc(C#N)n1 ZINC001105288420 741649072 /nfs/dbraw/zinc/64/90/72/741649072.db2.gz MHQKQJAGEGOTMV-UONOGXRCSA-N 1 1 330.436 0.807 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nn1 ZINC001105288483 741649080 /nfs/dbraw/zinc/64/90/80/741649080.db2.gz NQFZKSDTAWRKJA-CVEARBPZSA-N 1 1 331.420 0.752 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1cncc(C#N)n1)C(C)C ZINC001105301067 741685239 /nfs/dbraw/zinc/68/52/39/741685239.db2.gz LJQCAMLRNNPNSO-CVEARBPZSA-N 1 1 340.431 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1cncc(C#N)n1)C(C)C ZINC001105301067 741685241 /nfs/dbraw/zinc/68/52/41/741685241.db2.gz LJQCAMLRNNPNSO-CVEARBPZSA-N 1 1 340.431 0.999 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001111798893 741735823 /nfs/dbraw/zinc/73/58/23/741735823.db2.gz MLCJRJFPSPEJRV-LPHOPBHVSA-N 1 1 348.491 0.437 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)C[N@@H+](C)C(C)C ZINC001058731006 741757853 /nfs/dbraw/zinc/75/78/53/741757853.db2.gz OPZKCVHGPFKXLZ-KRWDZBQOSA-N 1 1 327.469 0.866 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4nonc4c3)C2)nn1 ZINC001105318634 741763503 /nfs/dbraw/zinc/76/35/03/741763503.db2.gz IRULETKHLZUSFC-UHFFFAOYSA-N 1 1 339.359 0.787 20 30 ECEDMO C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326786 741803468 /nfs/dbraw/zinc/80/34/68/741803468.db2.gz GFSYHTSJVYMKHU-XJKSGUPXSA-N 1 1 332.452 0.525 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326786 741803473 /nfs/dbraw/zinc/80/34/73/741803473.db2.gz GFSYHTSJVYMKHU-XJKSGUPXSA-N 1 1 332.452 0.525 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326786 741803475 /nfs/dbraw/zinc/80/34/75/741803475.db2.gz GFSYHTSJVYMKHU-XJKSGUPXSA-N 1 1 332.452 0.525 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974542221 741875681 /nfs/dbraw/zinc/87/56/81/741875681.db2.gz XFXROVSCLAHDOP-GJZGRUSLSA-N 1 1 342.399 0.993 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974542221 741875686 /nfs/dbraw/zinc/87/56/86/741875686.db2.gz XFXROVSCLAHDOP-GJZGRUSLSA-N 1 1 342.399 0.993 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CN(Cc2n[nH]c(C)n2)CC1(C)C ZINC000974683059 742010752 /nfs/dbraw/zinc/01/07/52/742010752.db2.gz BLAUMLWIZOEKRS-GJZGRUSLSA-N 1 1 344.463 0.537 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974769319 742160838 /nfs/dbraw/zinc/16/08/38/742160838.db2.gz YJKXSGYPJGYYBL-NSHDSACASA-N 1 1 325.390 0.000 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974769319 742160839 /nfs/dbraw/zinc/16/08/39/742160839.db2.gz YJKXSGYPJGYYBL-NSHDSACASA-N 1 1 325.390 0.000 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974998193 742426848 /nfs/dbraw/zinc/42/68/48/742426848.db2.gz QVTONEJPKVPDBX-QWHCGFSZSA-N 1 1 347.444 0.628 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974998193 742426851 /nfs/dbraw/zinc/42/68/51/742426851.db2.gz QVTONEJPKVPDBX-QWHCGFSZSA-N 1 1 347.444 0.628 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)n3ccnc3)C2)nn1 ZINC001105337090 742428275 /nfs/dbraw/zinc/42/82/75/742428275.db2.gz RSDPSPAQLVZYTG-CYBMUJFWSA-N 1 1 329.408 0.785 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CCC)c3)C2)nn1 ZINC001105336997 742439790 /nfs/dbraw/zinc/43/97/90/742439790.db2.gz PAAQSUIICCQZCW-UHFFFAOYSA-N 1 1 329.408 0.857 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(CC)nc3C)C2)nn1 ZINC001105337208 742442343 /nfs/dbraw/zinc/44/23/43/742442343.db2.gz WAYBQWVEEXQCJL-UHFFFAOYSA-N 1 1 329.408 0.776 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)c1 ZINC000975011426 742446375 /nfs/dbraw/zinc/44/63/75/742446375.db2.gz KYBNKNWXGRZJOJ-BBRMVZONSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)c1 ZINC000975011426 742446377 /nfs/dbraw/zinc/44/63/77/742446377.db2.gz KYBNKNWXGRZJOJ-BBRMVZONSA-N 1 1 342.443 0.980 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)CC2(C)C)C1 ZINC000975032484 742463714 /nfs/dbraw/zinc/46/37/14/742463714.db2.gz YGNPNFWZHWEKGD-CYBMUJFWSA-N 1 1 348.447 0.721 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CCN3C(=O)CCC3=O)C[C@]2(C)C1 ZINC000982233076 751737945 /nfs/dbraw/zinc/73/79/45/751737945.db2.gz ITLKQCJNOINHPQ-XWIAVFTESA-N 1 1 346.431 0.465 20 30 ECEDMO Cc1nc(CC(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)n[nH]1 ZINC000996774750 742841821 /nfs/dbraw/zinc/84/18/21/742841821.db2.gz ZFHIGLISUFQNBB-UHFFFAOYSA-N 1 1 345.451 0.224 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001028935388 742913720 /nfs/dbraw/zinc/91/37/20/742913720.db2.gz BPPADJNJDIEBAC-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnnn3CC)C2)nc1 ZINC001028935979 742916666 /nfs/dbraw/zinc/91/66/66/742916666.db2.gz OFOSCDRDQXTWNO-OAHLLOKOSA-N 1 1 338.415 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3cnnn3CC)C2)nc1 ZINC001028935979 742916673 /nfs/dbraw/zinc/91/66/73/742916673.db2.gz OFOSCDRDQXTWNO-OAHLLOKOSA-N 1 1 338.415 0.926 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001028937187 742923092 /nfs/dbraw/zinc/92/30/92/742923092.db2.gz NWDHQUCUEQADOO-HIFRSBDPSA-N 1 1 342.399 0.034 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC001028940631 742936123 /nfs/dbraw/zinc/93/61/23/742936123.db2.gz MJVWEYGFHXIVTK-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001006756218 751776699 /nfs/dbraw/zinc/77/66/99/751776699.db2.gz DFHZHDLQOLJTLZ-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001006756218 751776702 /nfs/dbraw/zinc/77/67/02/751776702.db2.gz DFHZHDLQOLJTLZ-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001028969453 743022675 /nfs/dbraw/zinc/02/26/75/743022675.db2.gz NWRBQJIOSYAKMG-HIFRSBDPSA-N 1 1 344.415 0.626 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(N(C)C)no2)CC1 ZINC000997012915 743130059 /nfs/dbraw/zinc/13/00/59/743130059.db2.gz XUNRZEZDULLYRA-KGLIPLIRSA-N 1 1 349.435 0.807 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1csc(-c2ccco2)n1 ZINC001125997625 743152717 /nfs/dbraw/zinc/15/27/17/743152717.db2.gz BROGAEZSOLFXQA-UHFFFAOYSA-N 1 1 346.412 0.748 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC000997101944 743237214 /nfs/dbraw/zinc/23/72/14/743237214.db2.gz MUHVULVFCZBSKU-ZDUSSCGKSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000988293958 751809040 /nfs/dbraw/zinc/80/90/40/751809040.db2.gz HRQNBTFDZPQRIB-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000988293958 751809049 /nfs/dbraw/zinc/80/90/49/751809049.db2.gz HRQNBTFDZPQRIB-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000997244940 743402734 /nfs/dbraw/zinc/40/27/34/743402734.db2.gz CXCKVRSJHJRBGK-RDTXWAMCSA-N 1 1 339.439 0.735 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H](C)C#N)C[C@@H]21 ZINC000975960508 743411495 /nfs/dbraw/zinc/41/14/95/743411495.db2.gz ATKJFMZZLPNDLX-SNPRPXQTSA-N 1 1 329.404 0.801 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291960 743472243 /nfs/dbraw/zinc/47/22/43/743472243.db2.gz ZTWMMDXSCCSVSY-INIZCTEOSA-N 1 1 339.403 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#C)cc2)C1 ZINC000997336703 743503882 /nfs/dbraw/zinc/50/38/82/743503882.db2.gz HFJWFEPZBWNTEE-SFHVURJKSA-N 1 1 335.407 0.706 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#C)cc2)C1 ZINC000997336703 743503885 /nfs/dbraw/zinc/50/38/85/743503885.db2.gz HFJWFEPZBWNTEE-SFHVURJKSA-N 1 1 335.407 0.706 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)nn1 ZINC001098695139 743519011 /nfs/dbraw/zinc/51/90/11/743519011.db2.gz QIOZHEYYJVOZHL-FVQBIDKESA-N 1 1 333.436 1.000 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ccon3)C2)C1=O ZINC001027316829 743649264 /nfs/dbraw/zinc/64/92/64/743649264.db2.gz HAXKKJCLHLUCIM-HIFRSBDPSA-N 1 1 332.404 0.998 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC000997526460 743660322 /nfs/dbraw/zinc/66/03/22/743660322.db2.gz SCQFWAWOFUPZSL-XIRDDKMYSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC000997526460 743660324 /nfs/dbraw/zinc/66/03/24/743660324.db2.gz SCQFWAWOFUPZSL-XIRDDKMYSA-N 1 1 329.444 0.847 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976360243 743875448 /nfs/dbraw/zinc/87/54/48/743875448.db2.gz AQZUHZAZLDOXGF-DOCVPZNWSA-N 1 1 341.415 0.271 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C)c1 ZINC000976409914 743920349 /nfs/dbraw/zinc/92/03/49/743920349.db2.gz UXECRRKCPVEGNS-VVLHAWIVSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C)c1 ZINC000976409914 743920351 /nfs/dbraw/zinc/92/03/51/743920351.db2.gz UXECRRKCPVEGNS-VVLHAWIVSA-N 1 1 341.411 0.872 20 30 ECEDMO C[N@@H+](CCn1cncn1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027355322 743921845 /nfs/dbraw/zinc/92/18/45/743921845.db2.gz UCINOIBCMYXZOT-AWEZNQCLSA-N 1 1 327.392 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000998046247 743946547 /nfs/dbraw/zinc/94/65/47/743946547.db2.gz NUIMLLYUNSDFLO-LSDHHAIUSA-N 1 1 345.447 0.882 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@@]2(C)C1 ZINC000982290435 751878789 /nfs/dbraw/zinc/87/87/89/751878789.db2.gz XAFITGOVFBANEB-ZYSHUDEJSA-N 1 1 347.459 0.285 20 30 ECEDMO C#Cc1ccc(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC(N)=O)CC2)cn1 ZINC000998176944 744030939 /nfs/dbraw/zinc/03/09/39/744030939.db2.gz OZHUDXSOFZZXPV-MRXNPFEDSA-N 1 1 328.416 0.865 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1 ZINC000976537391 744042433 /nfs/dbraw/zinc/04/24/33/744042433.db2.gz SMUWAKFNRWRDMJ-PBOSXPJTSA-N 1 1 327.388 0.025 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2C)c1 ZINC000976540674 744044679 /nfs/dbraw/zinc/04/46/79/744044679.db2.gz XAFMZLZLANEHTO-VQFNDLOPSA-N 1 1 349.394 0.455 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cncnc3)C2)C1=O ZINC001027378296 744050083 /nfs/dbraw/zinc/05/00/83/744050083.db2.gz DVPXUKXQTXWHTJ-JKSUJKDBSA-N 1 1 343.431 0.800 20 30 ECEDMO C#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]nn2)CC[C@H]1C(F)(F)F ZINC000998299042 744106544 /nfs/dbraw/zinc/10/65/44/744106544.db2.gz CIDAHYNUEUWTKW-NEPJUHHUSA-N 1 1 329.326 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000976583462 744107874 /nfs/dbraw/zinc/10/78/74/744107874.db2.gz GLMLPNYBMDJFKZ-OXODIDRGSA-N 1 1 341.455 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000976583462 744107877 /nfs/dbraw/zinc/10/78/77/744107877.db2.gz GLMLPNYBMDJFKZ-OXODIDRGSA-N 1 1 341.455 0.703 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412238 744238729 /nfs/dbraw/zinc/23/87/29/744238729.db2.gz OAPZKXAWUAIKGX-LBPRGKRZSA-N 1 1 345.432 0.729 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412685 744240443 /nfs/dbraw/zinc/24/04/43/744240443.db2.gz UZPWABZZGBIHHU-MRXNPFEDSA-N 1 1 339.403 0.668 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412685 744240447 /nfs/dbraw/zinc/24/04/47/744240447.db2.gz UZPWABZZGBIHHU-MRXNPFEDSA-N 1 1 339.403 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(C)(C)C=C)C[C@H]21 ZINC000976734777 744259459 /nfs/dbraw/zinc/25/94/59/744259459.db2.gz IRNNRKOLWBKQNB-XUWVNRHRSA-N 1 1 329.444 0.869 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(C)(C)C=C)C[C@H]21 ZINC000976734777 744259461 /nfs/dbraw/zinc/25/94/61/744259461.db2.gz IRNNRKOLWBKQNB-XUWVNRHRSA-N 1 1 329.444 0.869 20 30 ECEDMO COCc1noc(C[NH2+]C2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998646317 744266536 /nfs/dbraw/zinc/26/65/36/744266536.db2.gz RFHDRVZCRADWFW-UHFFFAOYSA-N 1 1 344.375 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cccnc3)C[C@H]21 ZINC000976741842 744277525 /nfs/dbraw/zinc/27/75/25/744277525.db2.gz QMKGSPSXKMTHHG-VVLHAWIVSA-N 1 1 338.411 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cccnc3)C[C@H]21 ZINC000976741842 744277529 /nfs/dbraw/zinc/27/75/29/744277529.db2.gz QMKGSPSXKMTHHG-VVLHAWIVSA-N 1 1 338.411 0.366 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ocnc3C)C[C@H]21 ZINC000976742607 744278342 /nfs/dbraw/zinc/27/83/42/744278342.db2.gz UWCDIURCOZRFAN-LJISPDSOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ocnc3C)C[C@H]21 ZINC000976742607 744278346 /nfs/dbraw/zinc/27/83/46/744278346.db2.gz UWCDIURCOZRFAN-LJISPDSOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CC(C)C3)C[C@H]21 ZINC000976742490 744278426 /nfs/dbraw/zinc/27/84/26/744278426.db2.gz UAJTUZBNVCEJHK-RMGMUHOQSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CC(C)C3)C[C@H]21 ZINC000976742490 744278429 /nfs/dbraw/zinc/27/84/29/744278429.db2.gz UAJTUZBNVCEJHK-RMGMUHOQSA-N 1 1 329.444 0.703 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC000998757736 744317632 /nfs/dbraw/zinc/31/76/32/744317632.db2.gz YYTKJKNATAGWTG-KGLIPLIRSA-N 1 1 339.403 0.903 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998960703 744431694 /nfs/dbraw/zinc/43/16/94/744431694.db2.gz HRSLWBBDYWTKKF-CYBMUJFWSA-N 1 1 327.392 0.892 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@]2(C)C1 ZINC000982303704 751920261 /nfs/dbraw/zinc/92/02/61/751920261.db2.gz LXZOYEFRLNEYPI-HDICACEKSA-N 1 1 328.416 0.804 20 30 ECEDMO C=C1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000999112362 744518469 /nfs/dbraw/zinc/51/84/69/744518469.db2.gz FLQGKFCETTXZQS-IRXDYDNUSA-N 1 1 347.459 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2CCC(F)CC2)C1 ZINC000999117099 744520125 /nfs/dbraw/zinc/52/01/25/744520125.db2.gz YJNZOLMACWXISZ-XUJLQICISA-N 1 1 335.423 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2CCC(F)CC2)C1 ZINC000999117099 744520126 /nfs/dbraw/zinc/52/01/26/744520126.db2.gz YJNZOLMACWXISZ-XUJLQICISA-N 1 1 335.423 0.939 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC000999320239 744624919 /nfs/dbraw/zinc/62/49/19/744624919.db2.gz RADOCQAFGZYNRO-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000977206970 744768056 /nfs/dbraw/zinc/76/80/56/744768056.db2.gz HKQCHGMKTSWAFV-VWOPQJGGSA-N 1 1 341.415 0.271 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001027493775 744801970 /nfs/dbraw/zinc/80/19/70/744801970.db2.gz OGXWFBHOAFXDQO-CQSZACIVSA-N 1 1 329.466 0.521 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC3CS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982318007 751950487 /nfs/dbraw/zinc/95/04/87/751950487.db2.gz APTMUYJUPPZMOP-IYBDPMFKSA-N 1 1 326.462 0.778 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CC3CS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982318007 751950494 /nfs/dbraw/zinc/95/04/94/751950494.db2.gz APTMUYJUPPZMOP-IYBDPMFKSA-N 1 1 326.462 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)C1=COCCO1 ZINC000977311589 744854294 /nfs/dbraw/zinc/85/42/94/744854294.db2.gz NOOJWWNGPOOXCF-GJZGRUSLSA-N 1 1 347.415 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)C1=COCCO1 ZINC000977311589 744854296 /nfs/dbraw/zinc/85/42/96/744854296.db2.gz NOOJWWNGPOOXCF-GJZGRUSLSA-N 1 1 347.415 0.032 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)CC1(C)C ZINC000977326053 744869228 /nfs/dbraw/zinc/86/92/28/744869228.db2.gz KTRWFMRWBZCDKY-LZWOXQAQSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)CC1(C)C ZINC000977326053 744869231 /nfs/dbraw/zinc/86/92/31/744869231.db2.gz KTRWFMRWBZCDKY-LZWOXQAQSA-N 1 1 337.464 0.882 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1 ZINC000977342921 744882397 /nfs/dbraw/zinc/88/23/97/744882397.db2.gz NBNNZGXLDRULLB-CVEARBPZSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1 ZINC000977342921 744882399 /nfs/dbraw/zinc/88/23/99/744882399.db2.gz NBNNZGXLDRULLB-CVEARBPZSA-N 1 1 343.431 0.191 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1C ZINC001088565260 751955156 /nfs/dbraw/zinc/95/51/56/751955156.db2.gz JDDWGEHKWMONRV-NFAWXSAZSA-N 1 1 331.420 0.918 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1C ZINC001088565394 751955399 /nfs/dbraw/zinc/95/53/99/751955399.db2.gz OBWLOJZUNVNZSX-IPYPFGDCSA-N 1 1 331.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc[nH]1 ZINC000977392743 744914382 /nfs/dbraw/zinc/91/43/82/744914382.db2.gz SLJJLLJWABDGEA-ZBFHGGJFSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc[nH]1 ZINC000977392743 744914385 /nfs/dbraw/zinc/91/43/85/744914385.db2.gz SLJJLLJWABDGEA-ZBFHGGJFSA-N 1 1 328.416 0.785 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC000999860596 744954603 /nfs/dbraw/zinc/95/46/03/744954603.db2.gz UZRLUNMBKAYYNX-ZDUSSCGKSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CC(NCc3nccn3C)C2)CC1 ZINC000999871092 744973430 /nfs/dbraw/zinc/97/34/30/744973430.db2.gz UJVLYHYKIPRBGK-UHFFFAOYSA-N 1 1 343.475 0.844 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC000999874562 744981035 /nfs/dbraw/zinc/98/10/35/744981035.db2.gz ZZOHIEBAHVZYGV-STQMWFEESA-N 1 1 332.408 0.094 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001006906583 751964317 /nfs/dbraw/zinc/96/43/17/751964317.db2.gz VJDZXJLAYHQJHU-MAZHCROVSA-N 1 1 346.431 0.746 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000977477647 745034106 /nfs/dbraw/zinc/03/41/06/745034106.db2.gz DOBNAIGBCMPTRR-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000977470795 745059791 /nfs/dbraw/zinc/05/97/91/745059791.db2.gz BRDZEAXBRGDHMC-CABCVRRESA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 ZINC000999955334 745094718 /nfs/dbraw/zinc/09/47/18/745094718.db2.gz IVQVGAZWWLFHJM-GJZGRUSLSA-N 1 1 335.408 0.133 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncs3)nn2)C1 ZINC000999961089 745103225 /nfs/dbraw/zinc/10/32/25/745103225.db2.gz GTAMMNBVHZNUEO-CYBMUJFWSA-N 1 1 330.417 0.935 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc[nH]c(=O)c3)nn2)C1 ZINC000999970477 745117910 /nfs/dbraw/zinc/11/79/10/745117910.db2.gz HWRKTYOAWJVPDR-AWEZNQCLSA-N 1 1 328.376 0.742 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(OC)no3)nn2)C1 ZINC000999970201 745117918 /nfs/dbraw/zinc/11/79/18/745117918.db2.gz AHEGXKGPNBUBRY-GFCCVEGCSA-N 1 1 330.348 0.085 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncc(F)c3)nn2)C1 ZINC000999973306 745121808 /nfs/dbraw/zinc/12/18/08/745121808.db2.gz YUIGBEGLCFLZMA-OAHLLOKOSA-N 1 1 328.351 0.622 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 ZINC000999975209 745124877 /nfs/dbraw/zinc/12/48/77/745124877.db2.gz QCGKLMAFDLXOAC-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)cn1 ZINC000977511408 745130248 /nfs/dbraw/zinc/13/02/48/745130248.db2.gz JDODRTUEXLIDEP-CJNGLKHVSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)cn1 ZINC000977511408 745130253 /nfs/dbraw/zinc/13/02/53/745130253.db2.gz JDODRTUEXLIDEP-CJNGLKHVSA-N 1 1 342.443 0.980 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3CCC)nn2)C1 ZINC000999987397 745141680 /nfs/dbraw/zinc/14/16/80/745141680.db2.gz NUVBUVNUKULXTA-DLBZAZTESA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3CCC)nn2)C1 ZINC000999987397 745141684 /nfs/dbraw/zinc/14/16/84/745141684.db2.gz NUVBUVNUKULXTA-DLBZAZTESA-N 1 1 344.463 0.649 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 ZINC000999987514 745142939 /nfs/dbraw/zinc/14/29/39/745142939.db2.gz OWHDTLMHZMTLLI-HZPDHXFCSA-N 1 1 345.451 0.539 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nn(C)cc3C)nn2)C1 ZINC000999992939 745151151 /nfs/dbraw/zinc/15/11/51/745151151.db2.gz SOCYZFWLBVUMJU-CQSZACIVSA-N 1 1 329.408 0.683 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc4cc[nH]c4n3)nn2)C1 ZINC000999994230 745153189 /nfs/dbraw/zinc/15/31/89/745153189.db2.gz WPSLPQWELHFFDX-HNNXBMFYSA-N 1 1 349.398 0.964 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999998115 745158371 /nfs/dbraw/zinc/15/83/71/745158371.db2.gz QWPHVVHFZNCWGI-CVEARBPZSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999998115 745158374 /nfs/dbraw/zinc/15/83/74/745158374.db2.gz QWPHVVHFZNCWGI-CVEARBPZSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnc[nH]c3=O)nn2)C1 ZINC000999998916 745160383 /nfs/dbraw/zinc/16/03/83/745160383.db2.gz VNEZWUHOOIMMOD-ZDUSSCGKSA-N 1 1 343.391 0.527 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC(=O)NC3)nn2)C1 ZINC001000001035 745163428 /nfs/dbraw/zinc/16/34/28/745163428.db2.gz AIDMIWGCOUAWRR-ZFWWWQNUSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3coc(OC)n3)nn2)C1 ZINC001000000835 745163688 /nfs/dbraw/zinc/16/36/88/745163688.db2.gz LEIUPDDUOANQKW-LBPRGKRZSA-N 1 1 330.348 0.085 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]nc3CC)nn2)C1 ZINC001000001610 745164436 /nfs/dbraw/zinc/16/44/36/745164436.db2.gz DAUFVUOEGAFDNA-AWEZNQCLSA-N 1 1 341.419 0.764 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cn[nH]n3)nn2)C1 ZINC001000001669 745164500 /nfs/dbraw/zinc/16/45/00/745164500.db2.gz DQNUWSCFOPFJKO-CYBMUJFWSA-N 1 1 330.396 0.539 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001000001669 745164502 /nfs/dbraw/zinc/16/45/02/745164502.db2.gz DQNUWSCFOPFJKO-CYBMUJFWSA-N 1 1 330.396 0.539 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001000001669 745164503 /nfs/dbraw/zinc/16/45/03/745164503.db2.gz DQNUWSCFOPFJKO-CYBMUJFWSA-N 1 1 330.396 0.539 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3coc(OC)n3)nn2)C1 ZINC001000003076 745167385 /nfs/dbraw/zinc/16/73/85/745167385.db2.gz UXNJAWUPBILTHU-ZDUSSCGKSA-N 1 1 344.375 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn4ccnc4c3)nn2)C1 ZINC001000003356 745168079 /nfs/dbraw/zinc/16/80/79/745168079.db2.gz PDRQUZPSXKLVOR-MRXNPFEDSA-N 1 1 349.398 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]c4c3CCC4)nn2)C1 ZINC001000003889 745169412 /nfs/dbraw/zinc/16/94/12/745169412.db2.gz RAQIQLZADQLXGK-ZDUSSCGKSA-N 1 1 339.403 0.300 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3CC)nn2)C1 ZINC001000005058 745172078 /nfs/dbraw/zinc/17/20/78/745172078.db2.gz YBFSZGZISRASFU-CQSZACIVSA-N 1 1 343.435 0.937 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(CCF)c3)nn2)C1 ZINC001000004990 745172453 /nfs/dbraw/zinc/17/24/53/745172453.db2.gz XKJKUUZWJOYFAO-OAHLLOKOSA-N 1 1 347.398 0.807 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)nn2)C1 ZINC001000011716 745180203 /nfs/dbraw/zinc/18/02/03/745180203.db2.gz XEEYGNWZWHUXNY-WCVJEAGWSA-N 1 1 331.420 0.610 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(C)c3CC)nn2)C1 ZINC001000020239 745191553 /nfs/dbraw/zinc/19/15/53/745191553.db2.gz LFLQONVONYKXRF-OAHLLOKOSA-N 1 1 340.431 0.989 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(=O)cc3C)nn2)C1 ZINC001000024638 745195328 /nfs/dbraw/zinc/19/53/28/745195328.db2.gz KRGTZIGUASLOKS-CQSZACIVSA-N 1 1 340.387 0.497 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nc(C)c[nH]3)nn2)C1 ZINC001000031669 745206029 /nfs/dbraw/zinc/20/60/29/745206029.db2.gz YYFOLRFKPNTMJA-CQSZACIVSA-N 1 1 327.392 0.510 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[C@@H](C)O3)nn2)C1 ZINC001000031413 745206284 /nfs/dbraw/zinc/20/62/84/745206284.db2.gz NVSFSAJRLQFFPL-FVQBIDKESA-N 1 1 331.420 0.732 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(C)cc3=O)nn2)C1 ZINC001000034892 745210290 /nfs/dbraw/zinc/21/02/90/745210290.db2.gz JJSYONRGBDANBD-AWEZNQCLSA-N 1 1 342.403 0.638 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnoc3C3CC3)nn2)C1 ZINC001000035054 745210399 /nfs/dbraw/zinc/21/03/99/745210399.db2.gz LKMXROSDLVBSOY-CQSZACIVSA-N 1 1 340.387 0.954 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C(C)C)nn3)nn2)C1 ZINC001000036044 745212685 /nfs/dbraw/zinc/21/26/85/745212685.db2.gz NLYWFWQCQHUWDR-AWEZNQCLSA-N 1 1 342.407 0.261 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000977590032 745219858 /nfs/dbraw/zinc/21/98/58/745219858.db2.gz YGZSIPFKKNHEEN-LBPRGKRZSA-N 1 1 336.436 0.720 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C(C)(C)C1 ZINC000977590067 745220027 /nfs/dbraw/zinc/22/00/27/745220027.db2.gz YSABXDOMOASHTR-CYBMUJFWSA-N 1 1 326.404 0.815 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C(C)(C)C1 ZINC000977590067 745220029 /nfs/dbraw/zinc/22/00/29/745220029.db2.gz YSABXDOMOASHTR-CYBMUJFWSA-N 1 1 326.404 0.815 20 30 ECEDMO C[NH+]=C(NCCN1CCOC(C)(C)C1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261661142 751982283 /nfs/dbraw/zinc/98/22/83/751982283.db2.gz ARWVRHFVPCATCH-GOEBONIOSA-N 1 1 337.512 0.745 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]nc4ccccc43)nn2)C1 ZINC001000043190 745222887 /nfs/dbraw/zinc/22/28/87/745222887.db2.gz IOJVNCRDVZGAGU-CQSZACIVSA-N 1 1 349.398 0.964 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000977585196 745245722 /nfs/dbraw/zinc/24/57/22/745245722.db2.gz OKVGRTYJFFKNTR-UHOFOFEASA-N 1 1 343.431 0.899 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001059235040 745303034 /nfs/dbraw/zinc/30/30/34/745303034.db2.gz HGKIBKISUIJFQI-DZKIICNBSA-N 1 1 329.404 0.155 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001059235040 745303039 /nfs/dbraw/zinc/30/30/39/745303039.db2.gz HGKIBKISUIJFQI-DZKIICNBSA-N 1 1 329.404 0.155 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001006944095 751994172 /nfs/dbraw/zinc/99/41/72/751994172.db2.gz CRNXYROEYYGQCG-UKRRQHHQSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001006944095 751994177 /nfs/dbraw/zinc/99/41/77/751994177.db2.gz CRNXYROEYYGQCG-UKRRQHHQSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC001000272161 745401628 /nfs/dbraw/zinc/40/16/28/745401628.db2.gz CIURGPNDRZOYQW-AWEZNQCLSA-N 1 1 338.473 0.805 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3CC)C2)nn1 ZINC001000407059 745479518 /nfs/dbraw/zinc/47/95/18/745479518.db2.gz ZJSWAPLHMUGFHX-CYBMUJFWSA-N 1 1 344.423 0.470 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3cnn(C)c3)CC2)C1=O ZINC001000424983 745489773 /nfs/dbraw/zinc/48/97/73/745489773.db2.gz HJVNUSDBRQAPFD-MRXNPFEDSA-N 1 1 343.431 0.569 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC000977782518 745502688 /nfs/dbraw/zinc/50/26/88/745502688.db2.gz ZEDPUXHLHJYOBX-KBPBESRZSA-N 1 1 346.435 0.089 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000977805880 745526223 /nfs/dbraw/zinc/52/62/23/745526223.db2.gz UFJWOXMPBCSNLK-BPLDGKMQSA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413935 745530941 /nfs/dbraw/zinc/53/09/41/745530941.db2.gz DQKQHSBRVJGKDQ-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413935 745530944 /nfs/dbraw/zinc/53/09/44/745530944.db2.gz DQKQHSBRVJGKDQ-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@H+](CC(=O)N3CCCC3)CC2)[nH]1 ZINC001000594152 745623443 /nfs/dbraw/zinc/62/34/43/745623443.db2.gz KSCJOJHVAAESKZ-UHFFFAOYSA-N 1 1 341.415 0.871 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@@H+](CC(=O)N3CCCC3)CC2)[nH]1 ZINC001000594152 745623446 /nfs/dbraw/zinc/62/34/46/745623446.db2.gz KSCJOJHVAAESKZ-UHFFFAOYSA-N 1 1 341.415 0.871 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001006977263 752022203 /nfs/dbraw/zinc/02/22/03/752022203.db2.gz XEMRHNXLVXXFAX-HUUCEWRRSA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001006977263 752022209 /nfs/dbraw/zinc/02/22/09/752022209.db2.gz XEMRHNXLVXXFAX-HUUCEWRRSA-N 1 1 332.404 0.585 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1cnc(C#N)cn1 ZINC001126517602 745636190 /nfs/dbraw/zinc/63/61/90/745636190.db2.gz HSFVYMIPCJVACF-CQSZACIVSA-N 1 1 346.435 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cccnn1 ZINC000977919266 745647082 /nfs/dbraw/zinc/64/70/82/745647082.db2.gz MOLXDFCVQCYITF-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cccnn1 ZINC000977919266 745647088 /nfs/dbraw/zinc/64/70/88/745647088.db2.gz MOLXDFCVQCYITF-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccn(C)n1 ZINC000977921385 745650588 /nfs/dbraw/zinc/65/05/88/745650588.db2.gz SIMZVNJWYLVXFX-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccn(C)n1 ZINC000977921385 745650592 /nfs/dbraw/zinc/65/05/92/745650592.db2.gz SIMZVNJWYLVXFX-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(C)on1 ZINC000977923711 745668215 /nfs/dbraw/zinc/66/82/15/745668215.db2.gz CLQNPYKYDWIHMX-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(C)on1 ZINC000977923711 745668218 /nfs/dbraw/zinc/66/82/18/745668218.db2.gz CLQNPYKYDWIHMX-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccccn2)C1 ZINC001000662711 745679006 /nfs/dbraw/zinc/67/90/06/745679006.db2.gz ALMZCZIGUOJCPF-INIZCTEOSA-N 1 1 326.400 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccccn2)C1 ZINC001000662711 745679009 /nfs/dbraw/zinc/67/90/09/745679009.db2.gz ALMZCZIGUOJCPF-INIZCTEOSA-N 1 1 326.400 0.367 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCCC2=O)cn1 ZINC001028270363 752024064 /nfs/dbraw/zinc/02/40/64/752024064.db2.gz IHLXAWMBVWMBAQ-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO CC#CCN1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075804042 745747388 /nfs/dbraw/zinc/74/73/88/745747388.db2.gz RFKNEDROOWEYJX-DOTOQJQBSA-N 1 1 329.448 0.614 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001075807753 745820935 /nfs/dbraw/zinc/82/09/35/745820935.db2.gz UZCPAGSWPNIBHA-SVGFKBNWSA-N 1 1 347.459 0.779 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001075807753 745820941 /nfs/dbraw/zinc/82/09/41/745820941.db2.gz UZCPAGSWPNIBHA-SVGFKBNWSA-N 1 1 347.459 0.779 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001000845964 745821702 /nfs/dbraw/zinc/82/17/02/745821702.db2.gz CBZLMQGVTUBSER-UHFFFAOYSA-N 1 1 325.390 0.475 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CCN1CCNC1=O ZINC001087535336 745825174 /nfs/dbraw/zinc/82/51/74/745825174.db2.gz DYWGXDKHLWIGHW-DZGCQCFKSA-N 1 1 344.419 0.494 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncccc3NC(C)=O)[C@@H]2C1 ZINC000978259004 746103820 /nfs/dbraw/zinc/10/38/20/746103820.db2.gz QRAYBICGUPBPIU-QKDCVEJESA-N 1 1 326.400 0.971 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H]1CC ZINC001087624568 746127760 /nfs/dbraw/zinc/12/77/60/746127760.db2.gz LVFHQUSIPIIRIN-GOEBONIOSA-N 1 1 328.416 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCOC2)C1 ZINC001001180416 746142530 /nfs/dbraw/zinc/14/25/30/746142530.db2.gz YJIQMVZKCNCYCW-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCOC2)C1 ZINC001001180416 746142532 /nfs/dbraw/zinc/14/25/32/746142532.db2.gz YJIQMVZKCNCYCW-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1nccs1 ZINC000978299223 746170134 /nfs/dbraw/zinc/17/01/34/746170134.db2.gz ZBSDYFCSOPFGDO-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1nccs1 ZINC000978299223 746170135 /nfs/dbraw/zinc/17/01/35/746170135.db2.gz ZBSDYFCSOPFGDO-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)[C@H]1CC ZINC001087672983 746170845 /nfs/dbraw/zinc/17/08/45/746170845.db2.gz QMHBXXMCUAXEKJ-SOUVJXGZSA-N 1 1 326.462 0.946 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1CC ZINC001087671584 746176229 /nfs/dbraw/zinc/17/62/29/746176229.db2.gz FSRUXQCFJLVDOD-DZGCQCFKSA-N 1 1 325.376 0.273 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)nn1 ZINC001027611877 746205077 /nfs/dbraw/zinc/20/50/77/746205077.db2.gz XIRDOIBRUUTMDB-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)[C@H]1CC ZINC001087702900 746209904 /nfs/dbraw/zinc/20/99/04/746209904.db2.gz ABHYOHDDPCVXLE-OFQRWUPVSA-N 1 1 329.448 0.912 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H]1CC ZINC001087719670 746235932 /nfs/dbraw/zinc/23/59/32/746235932.db2.gz GSXYGJBYQKAIHW-NWDGAFQWSA-N 1 1 341.437 0.216 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1CC ZINC001087743895 746266145 /nfs/dbraw/zinc/26/61/45/746266145.db2.gz QFYMKSMIHMXPHW-GARJFASQSA-N 1 1 328.800 0.306 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1CC ZINC001087743895 746266147 /nfs/dbraw/zinc/26/61/47/746266147.db2.gz QFYMKSMIHMXPHW-GARJFASQSA-N 1 1 328.800 0.306 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001098705794 746315027 /nfs/dbraw/zinc/31/50/27/746315027.db2.gz JRIYKUTVTODCPO-INIZCTEOSA-N 1 1 344.463 0.506 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+](CC(=O)NC3CC3)CC2)nc1 ZINC001001378333 746323689 /nfs/dbraw/zinc/32/36/89/746323689.db2.gz FRQPYESRFGNLCO-UHFFFAOYSA-N 1 1 338.411 0.703 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](CC(=O)NC3CC3)CC2)nc1 ZINC001001378333 746323696 /nfs/dbraw/zinc/32/36/96/746323696.db2.gz FRQPYESRFGNLCO-UHFFFAOYSA-N 1 1 338.411 0.703 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)c1ccnc(C#N)n1 ZINC001126549062 746358557 /nfs/dbraw/zinc/35/85/57/746358557.db2.gz JXIJQFICVYUOSM-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361139 752084306 /nfs/dbraw/zinc/08/43/06/752084306.db2.gz RRRISIAMJUKVCO-AWEZNQCLSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361139 752084313 /nfs/dbraw/zinc/08/43/13/752084313.db2.gz RRRISIAMJUKVCO-AWEZNQCLSA-N 1 1 330.436 0.116 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001462638 746403013 /nfs/dbraw/zinc/40/30/13/746403013.db2.gz HYVREXXZJIDLBQ-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)[C@H](OC)C1 ZINC001213250759 752093500 /nfs/dbraw/zinc/09/35/00/752093500.db2.gz KNCVVIZHHYYKJG-HUUCEWRRSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cncs2)C1 ZINC000978627712 746523301 /nfs/dbraw/zinc/52/33/01/746523301.db2.gz YEAQDJGKGGGDDZ-MJBXVCDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cncs2)C1 ZINC000978627712 746523304 /nfs/dbraw/zinc/52/33/04/746523304.db2.gz YEAQDJGKGGGDDZ-MJBXVCDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000978667230 746557671 /nfs/dbraw/zinc/55/76/71/746557671.db2.gz LHLMNPNJXMTJJN-YVSFHVDLSA-N 1 1 346.475 0.189 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978697937 746593174 /nfs/dbraw/zinc/59/31/74/746593174.db2.gz PHKBRKLJLZSNNU-UXOAXIEHSA-N 1 1 343.431 0.709 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1 ZINC000978704608 746604993 /nfs/dbraw/zinc/60/49/93/746604993.db2.gz JTWFEPVULJRUBP-ZOFXXKQRSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC000978720001 746620778 /nfs/dbraw/zinc/62/07/78/746620778.db2.gz KLGKRBVTAVZHGP-VVLHAWIVSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC000978720001 746620780 /nfs/dbraw/zinc/62/07/80/746620780.db2.gz KLGKRBVTAVZHGP-VVLHAWIVSA-N 1 1 347.459 0.664 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978740723 746666593 /nfs/dbraw/zinc/66/65/93/746666593.db2.gz UMZVBOFKKSHWAC-BJJXKVORSA-N 1 1 343.431 0.995 20 30 ECEDMO CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)CSCC#N ZINC001211886702 746740065 /nfs/dbraw/zinc/74/00/65/746740065.db2.gz VDRGKQRVHWZUMJ-IJLUTSLNSA-N 1 1 349.403 0.483 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)CSCC#N ZINC001211886702 746740070 /nfs/dbraw/zinc/74/00/70/746740070.db2.gz VDRGKQRVHWZUMJ-IJLUTSLNSA-N 1 1 349.403 0.483 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000978836711 746782697 /nfs/dbraw/zinc/78/26/97/746782697.db2.gz CNUOGNKSHZATAV-MCIONIFRSA-N 1 1 346.435 0.040 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC000978859411 746799548 /nfs/dbraw/zinc/79/95/48/746799548.db2.gz UJCFXBMWFVLDLP-XQLPTFJDSA-N 1 1 341.477 0.281 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001001998156 746874923 /nfs/dbraw/zinc/87/49/23/746874923.db2.gz CXBOFBWJULWMCZ-QGZVFWFLSA-N 1 1 325.412 0.808 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@@H]2C1 ZINC001087985514 746876721 /nfs/dbraw/zinc/87/67/21/746876721.db2.gz SQCNCXSTOILTJH-IKGGRYGDSA-N 1 1 349.475 0.838 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000984752705 746904436 /nfs/dbraw/zinc/90/44/36/746904436.db2.gz ZRKAFLUZUKBKDF-OFQRWUPVSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000978953084 746946682 /nfs/dbraw/zinc/94/66/82/746946682.db2.gz KSCDIIJWSCASCB-YVSFHVDLSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000978953084 746946685 /nfs/dbraw/zinc/94/66/85/746946685.db2.gz KSCDIIJWSCASCB-YVSFHVDLSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cocn2)C1 ZINC000978954339 746948571 /nfs/dbraw/zinc/94/85/71/746948571.db2.gz RYFGYKAMSCUWMB-GUTXKFCHSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cocn2)C1 ZINC000978954339 746948576 /nfs/dbraw/zinc/94/85/76/746948576.db2.gz RYFGYKAMSCUWMB-GUTXKFCHSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000978954726 746950984 /nfs/dbraw/zinc/95/09/84/746950984.db2.gz XHSNAHRGQALJAE-VVLHAWIVSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000978954726 746950989 /nfs/dbraw/zinc/95/09/89/746950989.db2.gz XHSNAHRGQALJAE-VVLHAWIVSA-N 1 1 347.459 0.664 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC001002130027 747010795 /nfs/dbraw/zinc/01/07/95/747010795.db2.gz IZQNYNRDOBEZMX-LVQVYYBASA-N 1 1 341.415 0.842 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)nc1 ZINC000979013799 747048598 /nfs/dbraw/zinc/04/85/98/747048598.db2.gz GEQMIBAFRVHFCZ-AYDFFVQHSA-N 1 1 326.400 0.234 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc(OC)cc(OC)n3)C[C@@H]2C1 ZINC001088013833 747055566 /nfs/dbraw/zinc/05/55/66/747055566.db2.gz WPZRORBSORIPJQ-OLZOCXBDSA-N 1 1 330.388 0.521 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 ZINC001088017741 747070238 /nfs/dbraw/zinc/07/02/38/747070238.db2.gz PSNFWHSOAJHKLX-SJORKVTESA-N 1 1 348.491 0.507 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088044858 747134648 /nfs/dbraw/zinc/13/46/48/747134648.db2.gz NBONDVCFDQILRR-QXSJWSMHSA-N 1 1 335.448 0.766 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@@H]2C1 ZINC001088053765 747162268 /nfs/dbraw/zinc/16/22/68/747162268.db2.gz YUNMYQWOJAXPGG-KGLIPLIRSA-N 1 1 339.399 0.358 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001088067083 747189842 /nfs/dbraw/zinc/18/98/42/747189842.db2.gz NMKXGQGYPMLHAC-RDBSUJKOSA-N 1 1 333.432 0.784 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccc(=O)[nH]n2)C1=O ZINC001027737004 747268901 /nfs/dbraw/zinc/26/89/01/747268901.db2.gz JAQRVLICNPRJHU-OCCSQVGLSA-N 1 1 345.403 0.163 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)C)CCO3)C[C@@H]2C1 ZINC001088080884 747271472 /nfs/dbraw/zinc/27/14/72/747271472.db2.gz RDXMUQWARFCSCP-SQNIBIBYSA-N 1 1 333.476 0.899 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001002476444 747407007 /nfs/dbraw/zinc/40/70/07/747407007.db2.gz NHTLMMSSRIGHMA-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001002477816 747409148 /nfs/dbraw/zinc/40/91/48/747409148.db2.gz XCRRKGQOEUTYSI-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088128120 747449012 /nfs/dbraw/zinc/44/90/12/747449012.db2.gz ZNLNJDWRSTVLMA-PMPSAXMXSA-N 1 1 338.473 0.615 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088128120 747449019 /nfs/dbraw/zinc/44/90/19/747449019.db2.gz ZNLNJDWRSTVLMA-PMPSAXMXSA-N 1 1 338.473 0.615 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncccn1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979290481 747522100 /nfs/dbraw/zinc/52/21/00/747522100.db2.gz ILQHVQWSLPNLDS-IUODEOHRSA-N 1 1 340.387 0.696 20 30 ECEDMO N#CCSCC(=O)NC[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CCCO1 ZINC001149239400 752188193 /nfs/dbraw/zinc/18/81/93/752188193.db2.gz ZYRQCKRLKKOCOS-GJZGRUSLSA-N 1 1 341.477 0.877 20 30 ECEDMO C[C@H]([NH2+]Cc1nncs1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979283884 747532698 /nfs/dbraw/zinc/53/26/98/747532698.db2.gz ALNYIJBGBUMUKE-GWCFXTLKSA-N 1 1 346.416 0.757 20 30 ECEDMO N#CCSCC(=O)NC[C@H]1C[N@@H+](C[C@H]2CCCOC2)CCCO1 ZINC001149239393 752189166 /nfs/dbraw/zinc/18/91/66/752189166.db2.gz ZYRQCKRLKKOCOS-CABCVRRESA-N 1 1 341.477 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]2C1 ZINC001088160515 747559117 /nfs/dbraw/zinc/55/91/17/747559117.db2.gz XEXLIAGVSNLQNO-KGLIPLIRSA-N 1 1 348.447 0.673 20 30 ECEDMO CCn1cc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 ZINC000979296378 747560866 /nfs/dbraw/zinc/56/08/66/747560866.db2.gz CSUAVYHNBBBOSF-XJKSGUPXSA-N 1 1 331.420 0.417 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cncnc2C)C1=O ZINC001027769756 747571726 /nfs/dbraw/zinc/57/17/26/747571726.db2.gz XTQXPLZPAOUEKQ-GOEBONIOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cncnc2C)C1=O ZINC001027769756 747571730 /nfs/dbraw/zinc/57/17/30/747571730.db2.gz XTQXPLZPAOUEKQ-GOEBONIOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C)n[nH]2)C1=O ZINC001027774450 747592206 /nfs/dbraw/zinc/59/22/06/747592206.db2.gz FCSQULZZOXJPMT-DZGCQCFKSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C)n[nH]2)C1=O ZINC001027774450 747592208 /nfs/dbraw/zinc/59/22/08/747592208.db2.gz FCSQULZZOXJPMT-DZGCQCFKSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001027776680 747595875 /nfs/dbraw/zinc/59/58/75/747595875.db2.gz WJUNXLFERTXXSR-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001027776680 747595877 /nfs/dbraw/zinc/59/58/77/747595877.db2.gz WJUNXLFERTXXSR-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO CCn1nc(C)c(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979312428 747596698 /nfs/dbraw/zinc/59/66/98/747596698.db2.gz IXFLAZCAQYOZNP-WMLDXEAASA-N 1 1 345.447 0.725 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979328328 747620258 /nfs/dbraw/zinc/62/02/58/747620258.db2.gz HFWMLURCOYBWKN-DZGCQCFKSA-N 1 1 331.420 0.417 20 30 ECEDMO CCCn1ncnc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979337997 747637234 /nfs/dbraw/zinc/63/72/34/747637234.db2.gz SQDGFSMWOZSUEL-ZBFHGGJFSA-N 1 1 345.447 0.807 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]2C1 ZINC001088177523 747683284 /nfs/dbraw/zinc/68/32/84/747683284.db2.gz BVDHFPDVOMAIIY-CVEARBPZSA-N 1 1 328.416 0.355 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001087425766 747700220 /nfs/dbraw/zinc/70/02/20/747700220.db2.gz RNSZIKSPVPUFDK-GUDVDZBRSA-N 1 1 341.455 0.925 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001087425766 747700223 /nfs/dbraw/zinc/70/02/23/747700223.db2.gz RNSZIKSPVPUFDK-GUDVDZBRSA-N 1 1 341.455 0.925 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@@H]2C1 ZINC001088190242 747701450 /nfs/dbraw/zinc/70/14/50/747701450.db2.gz PACDIWRHXCKQBF-CABCVRRESA-N 1 1 338.415 0.768 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC001088190765 747701932 /nfs/dbraw/zinc/70/19/32/747701932.db2.gz QULNSLKMWUCBDC-KGLIPLIRSA-N 1 1 348.447 0.673 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2nnnn2C2CC2)C1 ZINC000979380736 747707851 /nfs/dbraw/zinc/70/78/51/747707851.db2.gz UPWYGFINJBKZAM-TZMCWYRMSA-N 1 1 348.451 0.926 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000985339521 747747666 /nfs/dbraw/zinc/74/76/66/747747666.db2.gz WCFIJJPJHKHHKS-STQMWFEESA-N 1 1 327.450 0.504 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088207219 747748705 /nfs/dbraw/zinc/74/87/05/747748705.db2.gz BXBATHHKGDWSMT-ILXRZTDVSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cncnc3)C2)C1=O ZINC001007229768 752209150 /nfs/dbraw/zinc/20/91/50/752209150.db2.gz ZQMGVHMOBMBKLD-JKSUJKDBSA-N 1 1 343.431 0.387 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3cncnc3)C2)C1=O ZINC001007229768 752209154 /nfs/dbraw/zinc/20/91/54/752209154.db2.gz ZQMGVHMOBMBKLD-JKSUJKDBSA-N 1 1 343.431 0.387 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cccnc2)C1 ZINC000979401796 747775994 /nfs/dbraw/zinc/77/59/94/747775994.db2.gz PLDXPSNJBXUKNL-XIRDDKMYSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cccnc2)C1 ZINC000979401796 747776003 /nfs/dbraw/zinc/77/60/03/747776003.db2.gz PLDXPSNJBXUKNL-XIRDDKMYSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001088230375 747782192 /nfs/dbraw/zinc/78/21/92/747782192.db2.gz OTIWURYUCQUYBN-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@@H+](C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)[C@@H]1CCCNC1=O ZINC000985367614 747806554 /nfs/dbraw/zinc/80/65/54/747806554.db2.gz RASROUSLSOZKGR-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001088236939 747833021 /nfs/dbraw/zinc/83/30/21/747833021.db2.gz HSSILQXVUQTWKH-HNNXBMFYSA-N 1 1 348.451 0.729 20 30 ECEDMO O=C(Cn1ncnn1)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001002825265 747837220 /nfs/dbraw/zinc/83/72/20/747837220.db2.gz XNYDOVXZQWLPGP-UHFFFAOYSA-N 1 1 342.378 0.445 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001002828821 747843394 /nfs/dbraw/zinc/84/33/94/747843394.db2.gz HPKBRCOBUINURT-INIZCTEOSA-N 1 1 339.399 0.172 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001002828821 747843398 /nfs/dbraw/zinc/84/33/98/747843398.db2.gz HPKBRCOBUINURT-INIZCTEOSA-N 1 1 339.399 0.172 20 30 ECEDMO Cn1nncc1C[N@@H+](C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985392184 747885910 /nfs/dbraw/zinc/88/59/10/747885910.db2.gz REQJIGVBLLGXBS-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO C[N@@H+](CCN1C(=O)CCC1=O)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000985422049 747965871 /nfs/dbraw/zinc/96/58/71/747965871.db2.gz XHDCXCRNHMIHTA-UHFFFAOYSA-N 1 1 331.416 0.472 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027814054 747989667 /nfs/dbraw/zinc/98/96/67/747989667.db2.gz GKRSZBHPGXEZHP-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027814054 747989673 /nfs/dbraw/zinc/98/96/73/747989673.db2.gz GKRSZBHPGXEZHP-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001029662466 747994593 /nfs/dbraw/zinc/99/45/93/747994593.db2.gz MQDOQUAVGSUFRB-HOCLYGCPSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001029662466 747994596 /nfs/dbraw/zinc/99/45/96/747994596.db2.gz MQDOQUAVGSUFRB-HOCLYGCPSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001029662466 747994601 /nfs/dbraw/zinc/99/46/01/747994601.db2.gz MQDOQUAVGSUFRB-HOCLYGCPSA-N 1 1 345.447 0.899 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1F ZINC001007263717 752235897 /nfs/dbraw/zinc/23/58/97/752235897.db2.gz ULEWRWYXHHGBAP-UKRRQHHQSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1F ZINC001007263717 752235901 /nfs/dbraw/zinc/23/59/01/752235901.db2.gz ULEWRWYXHHGBAP-UKRRQHHQSA-N 1 1 346.362 0.886 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3c[nH]c(C)n3)C2)C1=O ZINC001029674648 748032912 /nfs/dbraw/zinc/03/29/12/748032912.db2.gz HXSUKBNWSAFRPV-ZBFHGGJFSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001029674648 748032920 /nfs/dbraw/zinc/03/29/20/748032920.db2.gz HXSUKBNWSAFRPV-ZBFHGGJFSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001029674648 748032929 /nfs/dbraw/zinc/03/29/29/748032929.db2.gz HXSUKBNWSAFRPV-ZBFHGGJFSA-N 1 1 345.447 0.899 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001029676433 748039758 /nfs/dbraw/zinc/03/97/58/748039758.db2.gz AZMNZNXJZQYPKS-CHWSQXEVSA-N 1 1 342.403 0.463 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029682331 748046422 /nfs/dbraw/zinc/04/64/22/748046422.db2.gz USXLLPDAUVFCEN-AWEZNQCLSA-N 1 1 344.415 0.723 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691018 748073261 /nfs/dbraw/zinc/07/32/61/748073261.db2.gz LXPAWESGLLSHOX-VXGBXAGGSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691018 748073267 /nfs/dbraw/zinc/07/32/67/748073267.db2.gz LXPAWESGLLSHOX-VXGBXAGGSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691016 748073500 /nfs/dbraw/zinc/07/35/00/748073500.db2.gz LXPAWESGLLSHOX-NWDGAFQWSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691016 748073508 /nfs/dbraw/zinc/07/35/08/748073508.db2.gz LXPAWESGLLSHOX-NWDGAFQWSA-N 1 1 342.407 0.565 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000985456126 748089839 /nfs/dbraw/zinc/08/98/39/748089839.db2.gz BRLYEDDDDFYTFZ-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc[nH]c(=O)c2)C1=O ZINC001027822277 748120221 /nfs/dbraw/zinc/12/02/21/748120221.db2.gz CGCXIUQSOHWJAQ-LSDHHAIUSA-N 1 1 344.415 0.768 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C[C@H]2C1 ZINC000979741490 748324575 /nfs/dbraw/zinc/32/45/75/748324575.db2.gz GJDVUHCAGVKUCF-YDHLFZDLSA-N 1 1 326.462 0.824 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000985506746 748345305 /nfs/dbraw/zinc/34/53/05/748345305.db2.gz SPMLOIILTYGALB-UHFFFAOYSA-N 1 1 327.816 0.257 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001027835081 748361611 /nfs/dbraw/zinc/36/16/11/748361611.db2.gz QVHWCBJORPGVFH-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001027835081 748361619 /nfs/dbraw/zinc/36/16/19/748361619.db2.gz QVHWCBJORPGVFH-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(=O)n(C)cn3)C[C@H]2C1 ZINC000979799258 748415776 /nfs/dbraw/zinc/41/57/76/748415776.db2.gz YSWJPUQNBPJJKC-SOUVJXGZSA-N 1 1 328.416 0.634 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001029803173 748486939 /nfs/dbraw/zinc/48/69/39/748486939.db2.gz JYOZTRHACDZEAW-PBHICJAKSA-N 1 1 340.427 0.975 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)[C@@H]2C1 ZINC001075862383 748519728 /nfs/dbraw/zinc/51/97/28/748519728.db2.gz KCVKTNFOBXHDCE-WMLDXEAASA-N 1 1 336.399 0.832 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC000985566261 748542678 /nfs/dbraw/zinc/54/26/78/748542678.db2.gz KZXYKTMDSLTTCE-UHFFFAOYSA-N 1 1 344.423 0.806 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3n[nH]nc3C)CC2)C1=O ZINC000985567584 748547055 /nfs/dbraw/zinc/54/70/55/748547055.db2.gz XZPTXQPCWTUCBE-CQSZACIVSA-N 1 1 346.435 0.436 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)c3[nH]nnc3C)CC2)C1=O ZINC000985567584 748547058 /nfs/dbraw/zinc/54/70/58/748547058.db2.gz XZPTXQPCWTUCBE-CQSZACIVSA-N 1 1 346.435 0.436 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3[nH]nnc3C)CC2)C1=O ZINC000985567584 748547060 /nfs/dbraw/zinc/54/70/60/748547060.db2.gz XZPTXQPCWTUCBE-CQSZACIVSA-N 1 1 346.435 0.436 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC001003468924 748586688 /nfs/dbraw/zinc/58/66/88/748586688.db2.gz YMPUPTOVHKLUBZ-CZUORRHYSA-N 1 1 340.427 0.449 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1 ZINC001003469985 748587120 /nfs/dbraw/zinc/58/71/20/748587120.db2.gz MQDMXJDHRLCGFA-KRWDZBQOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000979966665 748758224 /nfs/dbraw/zinc/75/82/24/748758224.db2.gz BWGQQQYZLIXSPJ-IUVQAAGXSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC000979966665 748758226 /nfs/dbraw/zinc/75/82/26/748758226.db2.gz BWGQQQYZLIXSPJ-IUVQAAGXSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2CCOCC2)C1 ZINC000979967511 748759967 /nfs/dbraw/zinc/75/99/67/748759967.db2.gz MDPMCBZDQUVBJQ-XIRDDKMYSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2CCOCC2)C1 ZINC000979967511 748759968 /nfs/dbraw/zinc/75/99/68/748759968.db2.gz MDPMCBZDQUVBJQ-XIRDDKMYSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000979967611 748759985 /nfs/dbraw/zinc/75/99/85/748759985.db2.gz NDUPFJJLRPRAJE-SYQHCUMBSA-N 1 1 339.386 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000979967611 748759987 /nfs/dbraw/zinc/75/99/87/748759987.db2.gz NDUPFJJLRPRAJE-SYQHCUMBSA-N 1 1 339.386 0.750 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnco1 ZINC001003676015 748785549 /nfs/dbraw/zinc/78/55/49/748785549.db2.gz DACRSYGRQOUQFA-KBXIAJHMSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnco1 ZINC001003676015 748785554 /nfs/dbraw/zinc/78/55/54/748785554.db2.gz DACRSYGRQOUQFA-KBXIAJHMSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000982478492 752301654 /nfs/dbraw/zinc/30/16/54/752301654.db2.gz JCYJAVCNPMFDLK-HIFRSBDPSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000982478492 752301663 /nfs/dbraw/zinc/30/16/63/752301663.db2.gz JCYJAVCNPMFDLK-HIFRSBDPSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2c3n(c(=O)n2C)CCCC3)CC1 ZINC000985646865 748789207 /nfs/dbraw/zinc/78/92/07/748789207.db2.gz MCHTYSBANVPYAC-UHFFFAOYSA-N 1 1 330.432 0.693 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC[NH+](Cc3nccnc3C)CC2)nn1 ZINC001003755326 748864837 /nfs/dbraw/zinc/86/48/37/748864837.db2.gz VAIPPLUAZDIRLR-UHFFFAOYSA-N 1 1 341.419 0.957 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)[C@@H]2C1 ZINC001075873407 748870969 /nfs/dbraw/zinc/87/09/69/748870969.db2.gz SZMFNTZTSNTMPP-GXTWGEPZSA-N 1 1 339.399 0.844 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1)CC2 ZINC001003905169 749028212 /nfs/dbraw/zinc/02/82/12/749028212.db2.gz PZXVPGNBZVWNMW-SMDDNHRTSA-N 1 1 329.404 0.488 20 30 ECEDMO CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112197249 749049005 /nfs/dbraw/zinc/04/90/05/749049005.db2.gz GSEMSUIBLOVLSB-NXEZZACHSA-N 1 1 334.342 0.651 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC000980167395 749102484 /nfs/dbraw/zinc/10/24/84/749102484.db2.gz SHDVGEUWEUKPIU-SOUVJXGZSA-N 1 1 346.431 0.742 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC000985798809 749126132 /nfs/dbraw/zinc/12/61/32/749126132.db2.gz GJTRDXBCTUQEGI-OAHLLOKOSA-N 1 1 343.855 0.909 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)nc1 ZINC001004005101 749133056 /nfs/dbraw/zinc/13/30/56/749133056.db2.gz TVUKGKOHSZJYDU-UHFFFAOYSA-N 1 1 326.400 0.536 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC000980184744 749133610 /nfs/dbraw/zinc/13/36/10/749133610.db2.gz QOVNSQXPMDFXKP-QEJZJMRPSA-N 1 1 331.416 0.279 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(C#N)nc1 ZINC001126254460 749146891 /nfs/dbraw/zinc/14/68/91/749146891.db2.gz JSTWTUAVLNASKI-INIZCTEOSA-N 1 1 331.420 0.616 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1ncc(C#N)cc1F ZINC001126255597 749151998 /nfs/dbraw/zinc/15/19/98/749151998.db2.gz ZCBPLMCGDRCVCV-HNNXBMFYSA-N 1 1 349.410 0.756 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H](C)C3CC3)CC2)CC1 ZINC000985828458 749190900 /nfs/dbraw/zinc/19/09/00/749190900.db2.gz GXQPDCHIFLQKAQ-INIZCTEOSA-N 1 1 346.475 0.938 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(C(=O)NC)n3)C[C@H]2C1 ZINC000980234574 749217024 /nfs/dbraw/zinc/21/70/24/749217024.db2.gz XBMHUDOJENPAJV-SOUVJXGZSA-N 1 1 340.427 0.905 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC000980245856 749233531 /nfs/dbraw/zinc/23/35/31/749233531.db2.gz OZXZHXIRZJFMQI-SOUVJXGZSA-N 1 1 348.447 0.673 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC1 ZINC000980254148 749260336 /nfs/dbraw/zinc/26/03/36/749260336.db2.gz MRUSXDCFXRDYGD-YESZJQIVSA-N 1 1 346.475 0.034 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000980267576 749277185 /nfs/dbraw/zinc/27/71/85/749277185.db2.gz CEPSFBAKQSXFGQ-DLBZAZTESA-N 1 1 325.412 0.632 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCOC3)C2)nn1 ZINC001098632154 749285040 /nfs/dbraw/zinc/28/50/40/749285040.db2.gz AELNIUUKQHHWIR-GOEBONIOSA-N 1 1 349.435 0.380 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC001004198874 749305211 /nfs/dbraw/zinc/30/52/11/749305211.db2.gz KHJCMCFLQJBDER-GUYCJALGSA-N 1 1 340.427 0.449 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C3=COCCO3)[C@H]2C)C1=O ZINC001088455196 749438381 /nfs/dbraw/zinc/43/83/81/749438381.db2.gz CUEKRFLZNFCWBS-RDBSUJKOSA-N 1 1 335.404 0.241 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C3=COCCO3)[C@H]2C)C1=O ZINC001088455196 749438386 /nfs/dbraw/zinc/43/83/86/749438386.db2.gz CUEKRFLZNFCWBS-RDBSUJKOSA-N 1 1 335.404 0.241 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001004405942 749471170 /nfs/dbraw/zinc/47/11/70/749471170.db2.gz IOAQSSYXYLWNBT-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCN(C)C3=O)C2)cn1 ZINC001029893040 749480223 /nfs/dbraw/zinc/48/02/23/749480223.db2.gz YWPUHRGWVNTPAW-WMLDXEAASA-N 1 1 340.427 0.688 20 30 ECEDMO Cn1nnc(C[N@@H+]2CCC[C@@H]2C2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC001004427748 749484766 /nfs/dbraw/zinc/48/47/66/749484766.db2.gz HRDONHBKAWUJES-MRXNPFEDSA-N 1 1 342.447 0.827 20 30 ECEDMO Cn1nnc(C[N@H+]2CCC[C@@H]2C2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC001004427748 749484768 /nfs/dbraw/zinc/48/47/68/749484768.db2.gz HRDONHBKAWUJES-MRXNPFEDSA-N 1 1 342.447 0.827 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)c3C)[C@H]2C)C1=O ZINC001088470981 749548231 /nfs/dbraw/zinc/54/82/31/749548231.db2.gz MJNNPZILNVBXAS-VNQPRFMTSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)c3C)[C@H]2C)C1=O ZINC001088470981 749548234 /nfs/dbraw/zinc/54/82/34/749548234.db2.gz MJNNPZILNVBXAS-VNQPRFMTSA-N 1 1 345.447 0.708 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001004521719 749592256 /nfs/dbraw/zinc/59/22/56/749592256.db2.gz PSGSBTVEDNEIMS-GJYPPUQNSA-N 1 1 347.459 0.638 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)[C@@H](CC)C(N)=O)C2)CC1 ZINC000980477663 749630065 /nfs/dbraw/zinc/63/00/65/749630065.db2.gz IROBMFWYXHUVTN-CVEARBPZSA-N 1 1 334.464 0.128 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1nccnc1C ZINC001027944351 749678786 /nfs/dbraw/zinc/67/87/86/749678786.db2.gz VUKCNGDWCXWRQW-AEFFLSMTSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nccnc1C ZINC001027944351 749678788 /nfs/dbraw/zinc/67/87/88/749678788.db2.gz VUKCNGDWCXWRQW-AEFFLSMTSA-N 1 1 341.459 0.963 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCCNc2ccncc2C#N)C1 ZINC001114946524 749680936 /nfs/dbraw/zinc/68/09/36/749680936.db2.gz ODWZYQIKHDITHP-RHSMWYFYSA-N 1 1 345.447 0.793 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCCNc2ccncc2C#N)C1 ZINC001114946524 749680944 /nfs/dbraw/zinc/68/09/44/749680944.db2.gz ODWZYQIKHDITHP-RHSMWYFYSA-N 1 1 345.447 0.793 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C ZINC000986286355 749754926 /nfs/dbraw/zinc/75/49/26/749754926.db2.gz NMLKCADSTCUGGH-ZFWWWQNUSA-N 1 1 330.436 0.966 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)[C@H]3CCOC3)CC2)C1=O ZINC001029943608 750007873 /nfs/dbraw/zinc/00/78/73/750007873.db2.gz NXLFYPJPPOZPAT-DLBZAZTESA-N 1 1 349.475 0.980 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)nc1)C(=O)CC[NH+]1CCOCC1 ZINC001105434534 750087863 /nfs/dbraw/zinc/08/78/63/750087863.db2.gz YQOCHLROVUDGFV-UHFFFAOYSA-N 1 1 331.420 0.570 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[C@H]3CCCO3)CC2)C1=O ZINC000980757614 750095841 /nfs/dbraw/zinc/09/58/41/750095841.db2.gz YAEAOVOKEFFDOV-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[C@H]3CCCO3)CC2)C1=O ZINC000980757614 750095843 /nfs/dbraw/zinc/09/58/43/750095843.db2.gz YAEAOVOKEFFDOV-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001029965448 750116019 /nfs/dbraw/zinc/11/60/19/750116019.db2.gz ZHIQJPQYXFXOOR-ZDUSSCGKSA-N 1 1 330.436 0.855 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001029965448 750116027 /nfs/dbraw/zinc/11/60/27/750116027.db2.gz ZHIQJPQYXFXOOR-ZDUSSCGKSA-N 1 1 330.436 0.855 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C[NH2+]Cc3nnn(C)n3)C[C@@H]2C)cn1 ZINC000980769063 750123777 /nfs/dbraw/zinc/12/37/77/750123777.db2.gz BDZDZNZAPLLSRD-STQMWFEESA-N 1 1 339.403 0.227 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C[NH2+]Cc3nnn(C)n3)C[C@H]2C)cn1 ZINC000980769061 750124499 /nfs/dbraw/zinc/12/44/99/750124499.db2.gz BDZDZNZAPLLSRD-OLZOCXBDSA-N 1 1 339.403 0.227 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001027977197 750135434 /nfs/dbraw/zinc/13/54/34/750135434.db2.gz OJOJEHWFMJZHQX-CYBMUJFWSA-N 1 1 327.388 0.955 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nnn(C)c3C)[C@H]2C)C1=O ZINC001088503344 750142840 /nfs/dbraw/zinc/14/28/40/750142840.db2.gz CJEADFMWBXRVBF-XBFCOCLRSA-N 1 1 346.435 0.103 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nnn(C)c3C)[C@H]2C)C1=O ZINC001088503344 750142844 /nfs/dbraw/zinc/14/28/44/750142844.db2.gz CJEADFMWBXRVBF-XBFCOCLRSA-N 1 1 346.435 0.103 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1-n1cnnn1 ZINC001027991001 750234646 /nfs/dbraw/zinc/23/46/46/750234646.db2.gz UXESZUDFFNOZIT-LBPRGKRZSA-N 1 1 330.417 0.941 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001059737119 750265272 /nfs/dbraw/zinc/26/52/72/750265272.db2.gz ILMGCGRAVJADCY-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001059737119 750265278 /nfs/dbraw/zinc/26/52/78/750265278.db2.gz ILMGCGRAVJADCY-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[C@H]3CCOC3)CC2)C1=O ZINC000980879225 750295198 /nfs/dbraw/zinc/29/51/98/750295198.db2.gz IHIKEGPDYDLHCE-HZPDHXFCSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[C@H]3CCOC3)CC2)C1=O ZINC000980879225 750295202 /nfs/dbraw/zinc/29/52/02/750295202.db2.gz IHIKEGPDYDLHCE-HZPDHXFCSA-N 1 1 335.448 0.734 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000980917716 750352377 /nfs/dbraw/zinc/35/23/77/750352377.db2.gz WYJDTIWLDFDRDE-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000980917716 750352386 /nfs/dbraw/zinc/35/23/86/750352386.db2.gz WYJDTIWLDFDRDE-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO C#CCC[NH+]1CCC(N(C)C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001005682317 750523484 /nfs/dbraw/zinc/52/34/84/750523484.db2.gz SWUMACULJIEZIX-CQSZACIVSA-N 1 1 326.462 0.757 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)[nH]3)[C@H]2C)nn1 ZINC000987132216 750525418 /nfs/dbraw/zinc/52/54/18/750525418.db2.gz GYSNCHGFIRCFPC-PWSUYJOCSA-N 1 1 330.396 0.283 20 30 ECEDMO Cc1ccc(C#N)c(N(C)CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001105355747 750529114 /nfs/dbraw/zinc/52/91/14/750529114.db2.gz ZKQBJUWAWDPFTK-HNNXBMFYSA-N 1 1 331.420 0.487 20 30 ECEDMO Cc1ccc(C#N)c(N(C)CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001105355747 750529115 /nfs/dbraw/zinc/52/91/15/750529115.db2.gz ZKQBJUWAWDPFTK-HNNXBMFYSA-N 1 1 331.420 0.487 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnn(C)n3)[C@H]2C)nn1 ZINC000987169980 750543759 /nfs/dbraw/zinc/54/37/59/750543759.db2.gz RNFJVLSCWFEOAP-OCCSQVGLSA-N 1 1 344.423 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000981365655 750628324 /nfs/dbraw/zinc/62/83/24/750628324.db2.gz TXCXGGXGXHQNNF-WBVHZDCISA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000981365655 750628327 /nfs/dbraw/zinc/62/83/27/750628327.db2.gz TXCXGGXGXHQNNF-WBVHZDCISA-N 1 1 346.475 0.285 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001005826046 750693385 /nfs/dbraw/zinc/69/33/85/750693385.db2.gz ZRPWVVBBTCXRGQ-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001005848696 750723490 /nfs/dbraw/zinc/72/34/90/750723490.db2.gz PLOPWXFORSFSDJ-ZFWWWQNUSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001005848696 750723497 /nfs/dbraw/zinc/72/34/97/750723497.db2.gz PLOPWXFORSFSDJ-ZFWWWQNUSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001005849225 750724998 /nfs/dbraw/zinc/72/49/98/750724998.db2.gz CZVWNWCTNFKEIQ-UKRRQHHQSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001005849225 750725004 /nfs/dbraw/zinc/72/50/04/750725004.db2.gz CZVWNWCTNFKEIQ-UKRRQHHQSA-N 1 1 335.448 0.636 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001005940703 750823807 /nfs/dbraw/zinc/82/38/07/750823807.db2.gz UABOVLNGIQZPER-QWHCGFSZSA-N 1 1 343.431 0.805 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC000981581947 750834990 /nfs/dbraw/zinc/83/49/90/750834990.db2.gz BOIXLYXAQYTEMU-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC000981581947 750834997 /nfs/dbraw/zinc/83/49/97/750834997.db2.gz BOIXLYXAQYTEMU-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)s1 ZINC001028110453 750914073 /nfs/dbraw/zinc/91/40/73/750914073.db2.gz RZMUPCCTDXXYCA-MFKMUULPSA-N 1 1 333.417 0.382 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)s1 ZINC001028110453 750914075 /nfs/dbraw/zinc/91/40/75/750914075.db2.gz RZMUPCCTDXXYCA-MFKMUULPSA-N 1 1 333.417 0.382 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N1CCO[C@@H](C)C1)C2 ZINC000981669468 750948423 /nfs/dbraw/zinc/94/84/23/750948423.db2.gz NGTMTOSLBOQLFP-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)N1CCO[C@@H](C)C1)C2 ZINC000981669468 750948427 /nfs/dbraw/zinc/94/84/27/750948427.db2.gz NGTMTOSLBOQLFP-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001006109715 751023042 /nfs/dbraw/zinc/02/30/42/751023042.db2.gz BBAFVUWOBTVNPT-AAEUAGOBSA-N 1 1 329.404 0.415 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000987648593 751053479 /nfs/dbraw/zinc/05/34/79/751053479.db2.gz WJVPNRVACPTPKM-XUJVJEKNSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001006180643 751094061 /nfs/dbraw/zinc/09/40/61/751094061.db2.gz JQPIZGXDUQFARW-LALPHHSUSA-N 1 1 343.431 0.803 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001006182067 751094656 /nfs/dbraw/zinc/09/46/56/751094656.db2.gz QNKDXQZDSMATGJ-YWPYICTPSA-N 1 1 343.431 0.803 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001059821245 751095388 /nfs/dbraw/zinc/09/53/88/751095388.db2.gz OHWXXJNSUDUZPT-INIZCTEOSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C2)C1 ZINC000981812239 751132622 /nfs/dbraw/zinc/13/26/22/751132622.db2.gz KZSPYYNKMNOWON-MRXNPFEDSA-N 1 1 331.464 0.924 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H](CC)C(N)=O)C2 ZINC000981819062 751135617 /nfs/dbraw/zinc/13/56/17/751135617.db2.gz LNICTDWPCWKCNJ-HOTGVXAUSA-N 1 1 346.475 0.272 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001028128099 751136064 /nfs/dbraw/zinc/13/60/64/751136064.db2.gz ANZSDTIIVQUITJ-LLVKDONJSA-N 1 1 341.437 0.218 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2cn(CC3CC3)nn2)CC1 ZINC001098514180 751155672 /nfs/dbraw/zinc/15/56/72/751155672.db2.gz KRGQNUFSTHMJJN-UHFFFAOYSA-N 1 1 345.447 0.610 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001028134895 751174433 /nfs/dbraw/zinc/17/44/33/751174433.db2.gz HHXLVQCCDOILFX-OWCLPIDISA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C2 ZINC001098158603 751204171 /nfs/dbraw/zinc/20/41/71/751204171.db2.gz RUMBWVMFBIVHSK-UPJWGTAASA-N 1 1 334.420 0.614 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)CN3CCCCS3(=O)=O)C2)C1 ZINC000981893933 751243963 /nfs/dbraw/zinc/24/39/63/751243963.db2.gz RVZGWAYUSMRNFT-UHFFFAOYSA-N 1 1 341.477 0.522 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001006368530 751297681 /nfs/dbraw/zinc/29/76/81/751297681.db2.gz HQRBKFLPBQQAJM-WBMJQRKESA-N 1 1 343.431 0.947 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)C1 ZINC000991611427 762116235 /nfs/dbraw/zinc/11/62/35/762116235.db2.gz JMGPCCOGYKYUEI-GJZGRUSLSA-N 1 1 346.431 0.626 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007338788 752305484 /nfs/dbraw/zinc/30/54/84/752305484.db2.gz SZESXQCTPGKNQY-KGLIPLIRSA-N 1 1 329.404 0.367 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028312214 752352569 /nfs/dbraw/zinc/35/25/69/752352569.db2.gz GCGKPRKDTTYKLI-JTQLQIEISA-N 1 1 326.784 0.433 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028312214 752352578 /nfs/dbraw/zinc/35/25/78/752352578.db2.gz GCGKPRKDTTYKLI-JTQLQIEISA-N 1 1 326.784 0.433 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1OC ZINC001212032090 752429158 /nfs/dbraw/zinc/42/91/58/752429158.db2.gz JLKSLVGSBXCBPV-HZPDHXFCSA-N 1 1 336.436 0.464 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1OC ZINC001212032177 752430390 /nfs/dbraw/zinc/43/03/90/752430390.db2.gz NWAVZHAEYAEBCO-IAGOWNOFSA-N 1 1 334.416 0.697 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](OC)C2CCC2)C[C@H]1OC ZINC001212032235 752430505 /nfs/dbraw/zinc/43/05/05/752430505.db2.gz QOQQKOFMUDBYME-OWCLPIDISA-N 1 1 326.437 0.820 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039440 752432032 /nfs/dbraw/zinc/43/20/32/752432032.db2.gz MJNWPPZDUSVJJL-KCPJHIHWSA-N 1 1 330.388 0.261 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039440 752432041 /nfs/dbraw/zinc/43/20/41/752432041.db2.gz MJNWPPZDUSVJJL-KCPJHIHWSA-N 1 1 330.388 0.261 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC(C)C)NC(C)=O)C2)nn1 ZINC001105365521 752438153 /nfs/dbraw/zinc/43/81/53/752438153.db2.gz YJDBCUCBWMUOFS-INIZCTEOSA-N 1 1 348.451 0.488 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001007503978 752459612 /nfs/dbraw/zinc/45/96/12/752459612.db2.gz UCGUILBKKDIBQG-DZGCQCFKSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001007503978 752459615 /nfs/dbraw/zinc/45/96/15/752459615.db2.gz UCGUILBKKDIBQG-DZGCQCFKSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnsn2)C1 ZINC001007519281 752475740 /nfs/dbraw/zinc/47/57/40/752475740.db2.gz NGHUHQZQXUWOJS-ZFWWWQNUSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnsn2)C1 ZINC001007519281 752475744 /nfs/dbraw/zinc/47/57/44/752475744.db2.gz NGHUHQZQXUWOJS-ZFWWWQNUSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC001007519738 752476640 /nfs/dbraw/zinc/47/66/40/752476640.db2.gz VBUOMFOXBPCRDZ-IRXDYDNUSA-N 1 1 329.448 0.561 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C)on3)C2)C1=O ZINC001028391776 752529094 /nfs/dbraw/zinc/52/90/94/752529094.db2.gz REKXQIXTMRXPON-HIFRSBDPSA-N 1 1 332.404 0.822 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NCc3nnc(C)[nH]3)C2)CC1 ZINC001021090265 752529984 /nfs/dbraw/zinc/52/99/84/752529984.db2.gz QXXQXWFTUQHQTN-SHTZXODSSA-N 1 1 330.436 0.195 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1ncnn1-c1ccccc1 ZINC001126366191 752564998 /nfs/dbraw/zinc/56/49/98/752564998.db2.gz SHYBOUNUXBTNFM-QGZVFWFLSA-N 1 1 329.404 0.800 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000937839036 752571047 /nfs/dbraw/zinc/57/10/47/752571047.db2.gz MUBGKQVOAHCZGZ-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3COCCO3)C2)c1 ZINC001028412420 752583452 /nfs/dbraw/zinc/58/34/52/752583452.db2.gz MDHDTYQQMFPXGI-IRXDYDNUSA-N 1 1 329.400 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(C)n2)[C@@H]1C ZINC000988735325 752638464 /nfs/dbraw/zinc/63/84/64/752638464.db2.gz ZXBYYQBEADTCDM-YCPHGPKFSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(C)n2)[C@@H]1C ZINC000988735325 752638466 /nfs/dbraw/zinc/63/84/66/752638466.db2.gz ZXBYYQBEADTCDM-YCPHGPKFSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nocc2C)[C@@H]1C ZINC000988739235 752641706 /nfs/dbraw/zinc/64/17/06/752641706.db2.gz ZAABAWOZPKVXMC-ILXRZTDVSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nocc2C)[C@@H]1C ZINC000988739235 752641711 /nfs/dbraw/zinc/64/17/11/752641711.db2.gz ZAABAWOZPKVXMC-ILXRZTDVSA-N 1 1 344.415 0.800 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)C3=COCCC3)C2)C1=O ZINC001028445455 752673568 /nfs/dbraw/zinc/67/35/68/752673568.db2.gz QIKQEORXNSHNLP-HOCLYGCPSA-N 1 1 333.432 0.906 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1OC ZINC001212092933 752714242 /nfs/dbraw/zinc/71/42/42/752714242.db2.gz XLSZMSQDDONBTM-ARFHVFGLSA-N 1 1 328.453 0.946 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001007668753 752749528 /nfs/dbraw/zinc/74/95/28/752749528.db2.gz QKWFJWSYAMSKRV-KSSFIOAISA-N 1 1 348.447 0.460 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001028472797 752770526 /nfs/dbraw/zinc/77/05/26/752770526.db2.gz WXBLQXRAAVLUSB-NEPJUHHUSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001028472797 752770530 /nfs/dbraw/zinc/77/05/30/752770530.db2.gz WXBLQXRAAVLUSB-NEPJUHHUSA-N 1 1 344.253 0.859 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@]2(C)C1 ZINC001101199070 752772299 /nfs/dbraw/zinc/77/22/99/752772299.db2.gz WECJLTXEFWWAAF-RYRKJORJSA-N 1 1 337.464 0.300 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCCOC)C2)nn1 ZINC001098645759 752800550 /nfs/dbraw/zinc/80/05/50/752800550.db2.gz VAJVOMDVQHTADS-OAHLLOKOSA-N 1 1 337.424 0.380 20 30 ECEDMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083453514 752802444 /nfs/dbraw/zinc/80/24/44/752802444.db2.gz KDCOKKRBSYNQRI-CVEARBPZSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083453514 752802448 /nfs/dbraw/zinc/80/24/48/752802448.db2.gz KDCOKKRBSYNQRI-CVEARBPZSA-N 1 1 339.399 0.575 20 30 ECEDMO C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)nn1 ZINC001098645725 752805070 /nfs/dbraw/zinc/80/50/70/752805070.db2.gz UQYHGKNKQLMWKI-OAHLLOKOSA-N 1 1 327.392 0.130 20 30 ECEDMO Cn1cc(CC[N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001028490104 752828806 /nfs/dbraw/zinc/82/88/06/752828806.db2.gz FPBOLIPXJMVOIK-ZDUSSCGKSA-N 1 1 326.404 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028491867 752836279 /nfs/dbraw/zinc/83/62/79/752836279.db2.gz PHLNJFCEVDSTAJ-CZUORRHYSA-N 1 1 341.415 0.725 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001083456050 752838650 /nfs/dbraw/zinc/83/86/50/752838650.db2.gz DVNIZSSXZAZEFO-CVEARBPZSA-N 1 1 327.388 0.213 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001083456490 752841066 /nfs/dbraw/zinc/84/10/66/752841066.db2.gz XBFRGANEKYIVHW-CVEARBPZSA-N 1 1 329.404 0.766 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@H](Nc3ccncc3C#N)C2)no1 ZINC001058999216 752876055 /nfs/dbraw/zinc/87/60/55/752876055.db2.gz JRMHCIBEJBVXFP-ZDUSSCGKSA-N 1 1 340.387 0.751 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)[C@@H](O)C1 ZINC001083459478 752876585 /nfs/dbraw/zinc/87/65/85/752876585.db2.gz MPEZTNZPGKILKZ-IMJJTQAJSA-N 1 1 332.375 0.561 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)[C@@H](O)C1 ZINC001083459478 752876593 /nfs/dbraw/zinc/87/65/93/752876593.db2.gz MPEZTNZPGKILKZ-IMJJTQAJSA-N 1 1 332.375 0.561 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001059931677 752909359 /nfs/dbraw/zinc/90/93/59/752909359.db2.gz UKXYFCZHWCZBIJ-UONOGXRCSA-N 1 1 328.420 0.633 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2OCC(N)=O)C1 ZINC001007857026 752997115 /nfs/dbraw/zinc/99/71/15/752997115.db2.gz FJSGDTIRUKUUPR-AWEZNQCLSA-N 1 1 329.400 0.768 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001007858621 752998815 /nfs/dbraw/zinc/99/88/15/752998815.db2.gz IZVFDHVQCMETQS-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001007858621 752998818 /nfs/dbraw/zinc/99/88/18/752998818.db2.gz IZVFDHVQCMETQS-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)c(F)c1 ZINC001028519636 753018119 /nfs/dbraw/zinc/01/81/19/753018119.db2.gz QPTSGWNJEKJBMX-IUODEOHRSA-N 1 1 346.362 0.744 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001007952618 753121787 /nfs/dbraw/zinc/12/17/87/753121787.db2.gz MYTCNJOXZUQSIH-HOTGVXAUSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001008121288 753337638 /nfs/dbraw/zinc/33/76/38/753337638.db2.gz NQPIIKREROVVLR-AWEZNQCLSA-N 1 1 329.404 0.653 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1=O ZINC001028583516 753405039 /nfs/dbraw/zinc/40/50/39/753405039.db2.gz WLBIONNBDHLGFB-SJORKVTESA-N 1 1 340.427 0.975 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)C1 ZINC001008169746 753409942 /nfs/dbraw/zinc/40/99/42/753409942.db2.gz ISVFTDVWQZRFCI-DOMZBBRYSA-N 1 1 343.431 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C)nc1 ZINC000989166710 753418143 /nfs/dbraw/zinc/41/81/43/753418143.db2.gz JXOGTRFZFKXTEH-KBMXLJTQSA-N 1 1 340.427 0.734 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001008174313 753419539 /nfs/dbraw/zinc/41/95/39/753419539.db2.gz BRHPNUVHVTYGOV-IRXDYDNUSA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001008174313 753419542 /nfs/dbraw/zinc/41/95/42/753419542.db2.gz BRHPNUVHVTYGOV-IRXDYDNUSA-N 1 1 340.427 0.642 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cccn2)[C@@H]1C ZINC001088631354 753431512 /nfs/dbraw/zinc/43/15/12/753431512.db2.gz GSSNADWAQKDZQZ-IKGGRYGDSA-N 1 1 329.448 0.560 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2ccon2)CC1(C)C ZINC001008279806 753542291 /nfs/dbraw/zinc/54/22/91/753542291.db2.gz YKBFLZRPTVDQEM-GJZGRUSLSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2ccon2)CC1(C)C ZINC001008279806 753542296 /nfs/dbraw/zinc/54/22/96/753542296.db2.gz YKBFLZRPTVDQEM-GJZGRUSLSA-N 1 1 344.415 0.739 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000982780447 753547808 /nfs/dbraw/zinc/54/78/08/753547808.db2.gz DDDFTSJLVLAPIG-OCCSQVGLSA-N 1 1 329.404 0.416 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CCCO3)[C@@H](O)C2)c1 ZINC001083351404 753644333 /nfs/dbraw/zinc/64/43/33/753644333.db2.gz CHZQHLZHOMEIDN-ZACQAIPSSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CCCO3)[C@@H](O)C2)c1 ZINC001083351404 753644339 /nfs/dbraw/zinc/64/43/39/753644339.db2.gz CHZQHLZHOMEIDN-ZACQAIPSSA-N 1 1 329.400 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 ZINC001059968491 753648826 /nfs/dbraw/zinc/64/88/26/753648826.db2.gz GUEWGXOQAYAFPG-HOTGVXAUSA-N 1 1 327.432 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 ZINC001059968491 753648829 /nfs/dbraw/zinc/64/88/29/753648829.db2.gz GUEWGXOQAYAFPG-HOTGVXAUSA-N 1 1 327.432 0.907 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1F ZINC001008376043 753675316 /nfs/dbraw/zinc/67/53/16/753675316.db2.gz RFMXWQIKHQAYLF-ZFWWWQNUSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1F ZINC001008376043 753675321 /nfs/dbraw/zinc/67/53/21/753675321.db2.gz RFMXWQIKHQAYLF-ZFWWWQNUSA-N 1 1 345.378 0.459 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 ZINC001098683257 753694760 /nfs/dbraw/zinc/69/47/60/753694760.db2.gz VPTHCXLUQVKAKM-CVEARBPZSA-N 1 1 345.451 0.539 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCOC3)[C@@H](O)C2)c1 ZINC001083367385 753696301 /nfs/dbraw/zinc/69/63/01/753696301.db2.gz COSPYRJWZXRSDJ-BBWFWOEESA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCOC3)[C@@H](O)C2)c1 ZINC001083367385 753696311 /nfs/dbraw/zinc/69/63/11/753696311.db2.gz COSPYRJWZXRSDJ-BBWFWOEESA-N 1 1 329.400 0.646 20 30 ECEDMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]1 ZINC001083371607 753706950 /nfs/dbraw/zinc/70/69/50/753706950.db2.gz ZQEIYSUPLYYRFV-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]1 ZINC001083371607 753706955 /nfs/dbraw/zinc/70/69/55/753706955.db2.gz ZQEIYSUPLYYRFV-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001008465289 753768372 /nfs/dbraw/zinc/76/83/72/753768372.db2.gz QJJGZROQRICLJF-CVEARBPZSA-N 1 1 349.475 0.907 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC001008467270 753769292 /nfs/dbraw/zinc/76/92/92/753769292.db2.gz CMKJIMQACORBAI-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC001008467270 753769293 /nfs/dbraw/zinc/76/92/93/753769293.db2.gz CMKJIMQACORBAI-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CCN3CCNC3=O)C2)c1 ZINC001008468070 753771732 /nfs/dbraw/zinc/77/17/32/753771732.db2.gz JMXPHRLTTIKXKZ-INIZCTEOSA-N 1 1 341.415 0.282 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)c1 ZINC001008468070 753771738 /nfs/dbraw/zinc/77/17/38/753771738.db2.gz JMXPHRLTTIKXKZ-INIZCTEOSA-N 1 1 341.415 0.282 20 30 ECEDMO Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392420 753793436 /nfs/dbraw/zinc/79/34/36/753793436.db2.gz HEHJNDDNLPOTSX-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392420 753793440 /nfs/dbraw/zinc/79/34/40/753793440.db2.gz HEHJNDDNLPOTSX-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1)C1CCCC1 ZINC001083392779 753794962 /nfs/dbraw/zinc/79/49/62/753794962.db2.gz YLBGFOCNYKXLEO-IXDOHACOSA-N 1 1 346.431 0.866 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2cncc(C#N)n2)C1 ZINC001105531687 753800628 /nfs/dbraw/zinc/80/06/28/753800628.db2.gz GKDMBBJUXZASET-OAHLLOKOSA-N 1 1 346.435 0.352 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cc3ccn[nH]3)CCO2)cc1 ZINC001051509082 762244212 /nfs/dbraw/zinc/24/42/12/762244212.db2.gz KAXRGYWFLOIPDU-KRWDZBQOSA-N 1 1 339.399 0.841 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001105558587 753829698 /nfs/dbraw/zinc/82/96/98/753829698.db2.gz YLJQHXOLXNQDTM-WFASDCNBSA-N 1 1 330.436 0.749 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001008508646 753832812 /nfs/dbraw/zinc/83/28/12/753832812.db2.gz JVFUZEGGJRNDHC-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001008508646 753832816 /nfs/dbraw/zinc/83/28/16/753832816.db2.gz JVFUZEGGJRNDHC-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001149137554 753937231 /nfs/dbraw/zinc/93/72/31/753937231.db2.gz PUWCDGGDRPRQCU-UONOGXRCSA-N 1 1 334.420 0.526 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001149137554 753937238 /nfs/dbraw/zinc/93/72/38/753937238.db2.gz PUWCDGGDRPRQCU-UONOGXRCSA-N 1 1 334.420 0.526 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)CCC[NH+]3CCCC3)C2)nn1 ZINC001105376935 754065466 /nfs/dbraw/zinc/06/54/66/754065466.db2.gz LYTXGFVTHBSSRM-UHFFFAOYSA-N 1 1 344.463 0.650 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)[nH]3)C[C@@H]2C)nn1 ZINC000989536898 754081456 /nfs/dbraw/zinc/08/14/56/754081456.db2.gz PMNMDIJQWIKGIA-CMPLNLGQSA-N 1 1 330.396 0.283 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3ncc(C)cn3)C[C@H]2C)nn1 ZINC000989537683 754085780 /nfs/dbraw/zinc/08/57/80/754085780.db2.gz WKMLPULKNAEFST-KGLIPLIRSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCCC3=O)C2)nn1 ZINC001008798396 754129820 /nfs/dbraw/zinc/12/98/20/754129820.db2.gz ITCAWUZTVCJVKJ-CQSZACIVSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)nn1 ZINC001008798396 754129824 /nfs/dbraw/zinc/12/98/24/754129824.db2.gz ITCAWUZTVCJVKJ-CQSZACIVSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCn3cccn3)C2)nn1 ZINC001008822845 754159214 /nfs/dbraw/zinc/15/92/14/754159214.db2.gz CLUZPWIVPHUYGN-HNNXBMFYSA-N 1 1 343.435 0.945 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001008825954 754164850 /nfs/dbraw/zinc/16/48/50/754164850.db2.gz RPDSRJUULULCOQ-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001008825954 754164854 /nfs/dbraw/zinc/16/48/54/754164854.db2.gz RPDSRJUULULCOQ-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001008839069 754183947 /nfs/dbraw/zinc/18/39/47/754183947.db2.gz IQAJKTVTTKCMCQ-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001008839072 754184019 /nfs/dbraw/zinc/18/40/19/754184019.db2.gz IQAJKTVTTKCMCQ-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)s1 ZINC001051524984 762276222 /nfs/dbraw/zinc/27/62/22/762276222.db2.gz YVUHZODVFURSPY-GFCCVEGCSA-N 1 1 346.416 0.677 20 30 ECEDMO Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)[nH]1 ZINC001051524789 762276478 /nfs/dbraw/zinc/27/64/78/762276478.db2.gz XQENEHZSPRDGAH-GXFFZTMASA-N 1 1 343.391 0.505 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2c[nH]cc2C)C1 ZINC000982924118 754209272 /nfs/dbraw/zinc/20/92/72/754209272.db2.gz UXAGHESVNFGNOZ-WBVHZDCISA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2c[nH]cc2C)C1 ZINC000982924118 754209278 /nfs/dbraw/zinc/20/92/78/754209278.db2.gz UXAGHESVNFGNOZ-WBVHZDCISA-N 1 1 342.443 0.999 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cc(C(N)=O)cn3C)CCC[C@@H]12 ZINC000991625392 762279584 /nfs/dbraw/zinc/27/95/84/762279584.db2.gz PCIFNDCKXSMDQJ-CRAIPNDOSA-N 1 1 328.416 0.874 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)C1 ZINC001008902099 754282924 /nfs/dbraw/zinc/28/29/24/754282924.db2.gz BBSFMGURMLHAMI-JONQDZQNSA-N 1 1 347.459 0.494 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)C1 ZINC001008902099 754282927 /nfs/dbraw/zinc/28/29/27/754282927.db2.gz BBSFMGURMLHAMI-JONQDZQNSA-N 1 1 347.459 0.494 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000982958980 754295476 /nfs/dbraw/zinc/29/54/76/754295476.db2.gz KZAOGGLCDYNGJR-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001009016226 754431457 /nfs/dbraw/zinc/43/14/57/754431457.db2.gz NRDUTWYHJPLEAY-GJZGRUSLSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC001009147230 754581097 /nfs/dbraw/zinc/58/10/97/754581097.db2.gz RSZLBBXITPNKGN-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC001009147230 754581103 /nfs/dbraw/zinc/58/11/03/754581103.db2.gz RSZLBBXITPNKGN-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001105873004 762319114 /nfs/dbraw/zinc/31/91/14/762319114.db2.gz HMBIBAVTEDQGKC-CVEARBPZSA-N 1 1 331.420 0.717 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1cc(C)ncc1C#N ZINC001105873200 762319693 /nfs/dbraw/zinc/31/96/93/762319693.db2.gz NLHQDOGECLWXGH-NVXWUHKLSA-N 1 1 345.447 0.447 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001060008356 754694803 /nfs/dbraw/zinc/69/48/03/754694803.db2.gz ZGGNRKBNGVBINJ-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001060008356 754694806 /nfs/dbraw/zinc/69/48/06/754694806.db2.gz ZGGNRKBNGVBINJ-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC001051554635 762329094 /nfs/dbraw/zinc/32/90/94/762329094.db2.gz HQMMKGYHFAYHEI-GFCCVEGCSA-N 1 1 330.348 0.209 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)N2CCC2)CC3)c1 ZINC000990164069 754789781 /nfs/dbraw/zinc/78/97/81/754789781.db2.gz RNSZDPGVHLELJF-YJBOKZPZSA-N 1 1 341.415 0.845 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)[nH]1 ZINC000990248903 754876474 /nfs/dbraw/zinc/87/64/74/754876474.db2.gz AQUQMTGXMKRSLO-WBVHZDCISA-N 1 1 339.403 0.905 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCCN(CCOC)c1cc(C)[nH+]c(C)n1 ZINC001126415059 754886732 /nfs/dbraw/zinc/88/67/32/754886732.db2.gz HSJXJZGLIFJVQF-AWEZNQCLSA-N 1 1 334.420 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)cc1 ZINC001028732865 754901885 /nfs/dbraw/zinc/90/18/85/754901885.db2.gz QFIKMTWSVOEMDN-NVXWUHKLSA-N 1 1 325.412 0.950 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCCN(CCOC)c1cc(CC)[nH+]c(C)n1 ZINC001126416076 754906546 /nfs/dbraw/zinc/90/65/46/754906546.db2.gz YVCMYJWDDGWGEI-AWEZNQCLSA-N 1 1 348.447 0.955 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)s1 ZINC001028735890 754923555 /nfs/dbraw/zinc/92/35/55/754923555.db2.gz SSSORVXJPQAUDC-RISCZKNCSA-N 1 1 332.429 0.694 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H]2CCCNC2=O)CC3)[nH]1 ZINC000990276570 754931790 /nfs/dbraw/zinc/93/17/90/754931790.db2.gz MNBAFPGSZUEXPN-VKJFTORMSA-N 1 1 341.415 0.892 20 30 ECEDMO Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)[nH]1 ZINC001051563418 762347202 /nfs/dbraw/zinc/34/72/02/762347202.db2.gz RYNYONILRHHCAS-IINYFYTJSA-N 1 1 343.391 0.505 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001028766546 755037394 /nfs/dbraw/zinc/03/73/94/755037394.db2.gz VGHVKGMZCHQJQO-SNVBAGLBSA-N 1 1 341.209 0.730 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001028766546 755037402 /nfs/dbraw/zinc/03/74/02/755037402.db2.gz VGHVKGMZCHQJQO-SNVBAGLBSA-N 1 1 341.209 0.730 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3conc3C)C2)C1=O ZINC001028780901 755095784 /nfs/dbraw/zinc/09/57/84/755095784.db2.gz WXHGLJSHEIOEIS-ZFWWWQNUSA-N 1 1 332.404 0.822 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001028801795 755170113 /nfs/dbraw/zinc/17/01/13/755170113.db2.gz CQRNXBWVZNLTBI-IXDOHACOSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001028850921 755307668 /nfs/dbraw/zinc/30/76/68/755307668.db2.gz BADKPFMARMLGPX-AWEZNQCLSA-N 1 1 341.419 0.814 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3snnc3C)C2)nn1 ZINC001028852490 755311337 /nfs/dbraw/zinc/31/13/37/755311337.db2.gz JVOHMHFGMFNYRW-LBPRGKRZSA-N 1 1 347.448 0.876 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3snnc3C)C2)nn1 ZINC001028852490 755311343 /nfs/dbraw/zinc/31/13/43/755311343.db2.gz JVOHMHFGMFNYRW-LBPRGKRZSA-N 1 1 347.448 0.876 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000990524155 755335268 /nfs/dbraw/zinc/33/52/68/755335268.db2.gz OKESFONCBDGCAQ-XHSDSOJGSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2coc(C3CC3)n2)C1 ZINC000991638654 762385226 /nfs/dbraw/zinc/38/52/26/762385226.db2.gz GLIVVXMENXCCOQ-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2coc(C3CC3)n2)C1 ZINC000991638654 762385228 /nfs/dbraw/zinc/38/52/28/762385228.db2.gz GLIVVXMENXCCOQ-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2n[nH]c(C)c2C)C1 ZINC000990553844 755390369 /nfs/dbraw/zinc/39/03/69/755390369.db2.gz MXKYBDFKDWLMRR-AWEZNQCLSA-N 1 1 329.404 0.065 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2n[nH]c(C)c2C)C1 ZINC000990553844 755390372 /nfs/dbraw/zinc/39/03/72/755390372.db2.gz MXKYBDFKDWLMRR-AWEZNQCLSA-N 1 1 329.404 0.065 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001028899781 755434648 /nfs/dbraw/zinc/43/46/48/755434648.db2.gz OODRMZZHKZAICC-HUUCEWRRSA-N 1 1 331.420 0.390 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]n1 ZINC001083400974 755445559 /nfs/dbraw/zinc/44/55/59/755445559.db2.gz PYQZNHPUZWGYFK-SJORKVTESA-N 1 1 339.399 0.494 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]n1 ZINC001083400974 755445564 /nfs/dbraw/zinc/44/55/64/755445564.db2.gz PYQZNHPUZWGYFK-SJORKVTESA-N 1 1 339.399 0.494 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n[nH]1 ZINC001083400974 755445569 /nfs/dbraw/zinc/44/55/69/755445569.db2.gz PYQZNHPUZWGYFK-SJORKVTESA-N 1 1 339.399 0.494 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n[nH]1 ZINC001083400974 755445576 /nfs/dbraw/zinc/44/55/76/755445576.db2.gz PYQZNHPUZWGYFK-SJORKVTESA-N 1 1 339.399 0.494 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001028916517 755470324 /nfs/dbraw/zinc/47/03/24/755470324.db2.gz OCRXMFVZWQGPGG-CQSZACIVSA-N 1 1 331.420 0.705 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001028916516 755470419 /nfs/dbraw/zinc/47/04/19/755470419.db2.gz OCRXMFVZWQGPGG-AWEZNQCLSA-N 1 1 331.420 0.705 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@H]1CCC[C@H]1CNc1cc(C)[nH+]c(C)n1 ZINC001105664983 755500396 /nfs/dbraw/zinc/50/03/96/755500396.db2.gz MBDGYNCBRSQNJG-GJZGRUSLSA-N 1 1 343.431 0.930 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001040267783 755515653 /nfs/dbraw/zinc/51/56/53/755515653.db2.gz UDOJXHFJYGPGSU-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001040267783 755515656 /nfs/dbraw/zinc/51/56/56/755515656.db2.gz UDOJXHFJYGPGSU-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC001088782664 755650507 /nfs/dbraw/zinc/65/05/07/755650507.db2.gz DPMCLDKQBCYREW-KGLIPLIRSA-N 1 1 329.404 0.651 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)cc1F ZINC001010108323 755658211 /nfs/dbraw/zinc/65/82/11/755658211.db2.gz RCXUXNPSVHLGRH-CYBMUJFWSA-N 1 1 329.339 0.075 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)cc1F ZINC001010108323 755658214 /nfs/dbraw/zinc/65/82/14/755658214.db2.gz RCXUXNPSVHLGRH-CYBMUJFWSA-N 1 1 329.339 0.075 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)[C@@H](O)C1 ZINC001083501019 755742549 /nfs/dbraw/zinc/74/25/49/755742549.db2.gz SIAHKGIYBRWFHC-BMFZPTHFSA-N 1 1 337.464 0.761 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)nn1 ZINC001098658942 755779484 /nfs/dbraw/zinc/77/94/84/755779484.db2.gz LECYJPNGUKJIEU-UKRRQHHQSA-N 1 1 344.423 0.570 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(=O)NC)CC2 ZINC000990736814 755803615 /nfs/dbraw/zinc/80/36/15/755803615.db2.gz FMOAWRDERMBLRF-FSZRXZPDSA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)[C@@H](O)C1 ZINC001083513386 755822661 /nfs/dbraw/zinc/82/26/61/755822661.db2.gz FSFYZAZEEAXMHS-UPJWGTAASA-N 1 1 336.440 0.269 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)[C@@H](O)C1 ZINC001083519620 755872196 /nfs/dbraw/zinc/87/21/96/755872196.db2.gz CITUSPIKDQYJRY-OLZOCXBDSA-N 1 1 334.420 0.335 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(C)noc2C)CC1 ZINC001010279478 755931537 /nfs/dbraw/zinc/93/15/37/755931537.db2.gz PFFTUAWQVRCVOL-HNNXBMFYSA-N 1 1 344.415 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(C)noc2C)CC1 ZINC001010279478 755931543 /nfs/dbraw/zinc/93/15/43/755931543.db2.gz PFFTUAWQVRCVOL-HNNXBMFYSA-N 1 1 344.415 0.673 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@H](C)CC(N)=O)CC1 ZINC001105679846 755969649 /nfs/dbraw/zinc/96/96/49/755969649.db2.gz IDMGYJRAKPUUHT-OIISXLGYSA-N 1 1 346.475 0.271 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001076027427 756009731 /nfs/dbraw/zinc/00/97/31/756009731.db2.gz OXBPDRNSNIQGKP-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001076027427 756009735 /nfs/dbraw/zinc/00/97/35/756009735.db2.gz OXBPDRNSNIQGKP-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C=CCOCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076033781 756023151 /nfs/dbraw/zinc/02/31/51/756023151.db2.gz POTPWKGCOQWZNV-LSDHHAIUSA-N 1 1 341.452 0.311 20 30 ECEDMO C=CCOCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076033781 756023159 /nfs/dbraw/zinc/02/31/59/756023159.db2.gz POTPWKGCOQWZNV-LSDHHAIUSA-N 1 1 341.452 0.311 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)cc1 ZINC001076117585 756109891 /nfs/dbraw/zinc/10/98/91/756109891.db2.gz NHEYRLWRFCLWQH-DLBZAZTESA-N 1 1 325.412 0.902 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)cc1 ZINC001076117585 756109892 /nfs/dbraw/zinc/10/98/92/756109892.db2.gz NHEYRLWRFCLWQH-DLBZAZTESA-N 1 1 325.412 0.902 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428016 756125379 /nfs/dbraw/zinc/12/53/79/756125379.db2.gz OLKDHPQFODTMJE-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)COC2CCCC2)CC1 ZINC001010458807 756153334 /nfs/dbraw/zinc/15/33/34/756153334.db2.gz BDXGFYGQUYESAN-KRWDZBQOSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)COC2CCCC2)CC1 ZINC001010458807 756153336 /nfs/dbraw/zinc/15/33/36/756153336.db2.gz BDXGFYGQUYESAN-KRWDZBQOSA-N 1 1 347.459 0.714 20 30 ECEDMO Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010477502 756168148 /nfs/dbraw/zinc/16/81/48/756168148.db2.gz LDQHHTWGHWSICQ-CYBMUJFWSA-N 1 1 345.428 0.922 20 30 ECEDMO Cc1csc(=O)n1CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010477502 756168151 /nfs/dbraw/zinc/16/81/51/756168151.db2.gz LDQHHTWGHWSICQ-CYBMUJFWSA-N 1 1 345.428 0.922 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076183343 756182073 /nfs/dbraw/zinc/18/20/73/756182073.db2.gz VVSCESIFJWUZKE-SWLSCSKDSA-N 1 1 347.419 0.232 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076183343 756182077 /nfs/dbraw/zinc/18/20/77/756182077.db2.gz VVSCESIFJWUZKE-SWLSCSKDSA-N 1 1 347.419 0.232 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001076217904 756221012 /nfs/dbraw/zinc/22/10/12/756221012.db2.gz NGYDZXFYHDVPJB-NSHDSACASA-N 1 1 328.376 0.716 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)c1 ZINC001076223426 756234607 /nfs/dbraw/zinc/23/46/07/756234607.db2.gz YIPGIXYJGLUTRF-DOTOQJQBSA-N 1 1 336.399 0.501 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)C#CC2CC2)C3)C1 ZINC001010595877 756292108 /nfs/dbraw/zinc/29/21/08/756292108.db2.gz KHHWQJFLXZXPPU-MRXNPFEDSA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)C#CC2CC2)C3)C1 ZINC001010595877 756292112 /nfs/dbraw/zinc/29/21/12/756292112.db2.gz KHHWQJFLXZXPPU-MRXNPFEDSA-N 1 1 345.443 0.181 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1nnnn1C1CC1 ZINC001051608641 762457292 /nfs/dbraw/zinc/45/72/92/762457292.db2.gz GRXRHGPJRRGEHI-IUODEOHRSA-N 1 1 344.419 0.299 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001076262815 756299436 /nfs/dbraw/zinc/29/94/36/756299436.db2.gz ZBCKMYQIJJQQIB-HZMVEIRTSA-N 1 1 347.459 0.733 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001076262815 756299440 /nfs/dbraw/zinc/29/94/40/756299440.db2.gz ZBCKMYQIJJQQIB-HZMVEIRTSA-N 1 1 347.459 0.733 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001010650710 756351716 /nfs/dbraw/zinc/35/17/16/756351716.db2.gz BDGINEFGLIHCCJ-INIZCTEOSA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001010650710 756351719 /nfs/dbraw/zinc/35/17/19/756351719.db2.gz BDGINEFGLIHCCJ-INIZCTEOSA-N 1 1 345.443 0.181 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076312011 756354753 /nfs/dbraw/zinc/35/47/53/756354753.db2.gz LDLGYIHKJYTDAM-RRFJBIMHSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076312011 756354755 /nfs/dbraw/zinc/35/47/55/756354755.db2.gz LDLGYIHKJYTDAM-RRFJBIMHSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)[C@@H]2C1 ZINC001076314533 756359607 /nfs/dbraw/zinc/35/96/07/756359607.db2.gz DZDXDPWLGLHBSC-DZGCQCFKSA-N 1 1 346.431 0.197 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)Cc1n[nH]c(C)n1 ZINC001126926627 756409503 /nfs/dbraw/zinc/40/95/03/756409503.db2.gz PTRWBMWCNPITKI-LBPRGKRZSA-N 1 1 336.440 0.175 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)[nH]1 ZINC000990867644 756436157 /nfs/dbraw/zinc/43/61/57/756436157.db2.gz FRQOXNYUJHKWHY-GOEBONIOSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(F)cn3)C2)C1=O ZINC001010717701 756438421 /nfs/dbraw/zinc/43/84/21/756438421.db2.gz LNTRBAMREYBVBD-HIFRSBDPSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(F)cn3)C2)C1=O ZINC001010717701 756438423 /nfs/dbraw/zinc/43/84/23/756438423.db2.gz LNTRBAMREYBVBD-HIFRSBDPSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(F)cn3)C2)C1=O ZINC001010717706 756438565 /nfs/dbraw/zinc/43/85/65/756438565.db2.gz LNTRBAMREYBVBD-UKRRQHHQSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(F)cn3)C2)C1=O ZINC001010717706 756438567 /nfs/dbraw/zinc/43/85/67/756438567.db2.gz LNTRBAMREYBVBD-UKRRQHHQSA-N 1 1 332.379 0.812 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001010751301 756479944 /nfs/dbraw/zinc/47/99/44/756479944.db2.gz DPRLPSQHAVMPDZ-INIZCTEOSA-N 1 1 344.390 0.866 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001010751301 756479951 /nfs/dbraw/zinc/47/99/51/756479951.db2.gz DPRLPSQHAVMPDZ-INIZCTEOSA-N 1 1 344.390 0.866 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001010755418 756484037 /nfs/dbraw/zinc/48/40/37/756484037.db2.gz URJWCKQGWACNJL-ZDUSSCGKSA-N 1 1 332.429 0.789 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001010755418 756484041 /nfs/dbraw/zinc/48/40/41/756484041.db2.gz URJWCKQGWACNJL-ZDUSSCGKSA-N 1 1 332.429 0.789 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 ZINC001076429564 756499459 /nfs/dbraw/zinc/49/94/59/756499459.db2.gz WPNIXYCAWJBBFN-QWHCGFSZSA-N 1 1 334.420 0.426 20 30 ECEDMO C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001076434468 756507949 /nfs/dbraw/zinc/50/79/49/756507949.db2.gz VTVLYRGNJWJCNT-RRFJBIMHSA-N 1 1 337.464 0.766 20 30 ECEDMO C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001076434468 756507955 /nfs/dbraw/zinc/50/79/55/756507955.db2.gz VTVLYRGNJWJCNT-RRFJBIMHSA-N 1 1 337.464 0.766 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cnnn3C)C2)cc1C#N ZINC001010823657 756571421 /nfs/dbraw/zinc/57/14/21/756571421.db2.gz QERSDTRNMGWHJN-CQSZACIVSA-N 1 1 340.387 0.700 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cnnn3C)C2)cc1C#N ZINC001010823657 756571424 /nfs/dbraw/zinc/57/14/24/756571424.db2.gz QERSDTRNMGWHJN-CQSZACIVSA-N 1 1 340.387 0.700 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn(CC(F)F)nc2C)[C@@H](O)C1 ZINC001083549284 756632620 /nfs/dbraw/zinc/63/26/20/756632620.db2.gz ANDIBIHIMYLRCO-OLZOCXBDSA-N 1 1 328.363 0.808 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC(F)F)nc2C)[C@@H](O)C1 ZINC001083549284 756632623 /nfs/dbraw/zinc/63/26/23/756632623.db2.gz ANDIBIHIMYLRCO-OLZOCXBDSA-N 1 1 328.363 0.808 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1 ZINC001076566100 756650655 /nfs/dbraw/zinc/65/06/55/756650655.db2.gz KNFHMYTTZFBHRL-GXTWGEPZSA-N 1 1 332.404 0.598 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001010925247 756674310 /nfs/dbraw/zinc/67/43/10/756674310.db2.gz LRPSJLDOCMVDRA-UHFFFAOYSA-N 1 1 343.431 0.903 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010925502 756675242 /nfs/dbraw/zinc/67/52/42/756675242.db2.gz RKVYMBGSLQPONL-JSGCOSHPSA-N 1 1 329.404 0.368 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001051618567 762487529 /nfs/dbraw/zinc/48/75/29/762487529.db2.gz DWEDZBFZYZRVQN-KFWWJZLASA-N 1 1 349.435 0.113 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)CC1 ZINC001076605898 756725809 /nfs/dbraw/zinc/72/58/09/756725809.db2.gz YPPZXBBOMIYPOS-YTQUADARSA-N 1 1 345.487 0.901 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)CC1 ZINC001076605898 756725813 /nfs/dbraw/zinc/72/58/13/756725813.db2.gz YPPZXBBOMIYPOS-YTQUADARSA-N 1 1 345.487 0.901 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4[nH]cnc4C)[C@@H]3C2)C1=O ZINC001076643778 756773150 /nfs/dbraw/zinc/77/31/50/756773150.db2.gz OIZMYQUWZWSKRT-RRFJBIMHSA-N 1 1 343.431 0.651 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000990927273 756883839 /nfs/dbraw/zinc/88/38/39/756883839.db2.gz FOFUFPVIJPKZIM-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001076713683 756905166 /nfs/dbraw/zinc/90/51/66/756905166.db2.gz NLYQNRCZSPSNFA-KBPBESRZSA-N 1 1 348.451 0.431 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C(=O)C#CC3CC3)CC1)CC2 ZINC001011109468 756939470 /nfs/dbraw/zinc/93/94/70/756939470.db2.gz HBFHFFUWHFXSPT-MRXNPFEDSA-N 1 1 340.427 0.838 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107140740 756962855 /nfs/dbraw/zinc/96/28/55/756962855.db2.gz SMXMOQOUJDLKDR-ZDUSSCGKSA-N 1 1 337.424 0.115 20 30 ECEDMO Cn1cnc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4C#N)C[C@@H]3C2)n1 ZINC001048803892 757047586 /nfs/dbraw/zinc/04/75/86/757047586.db2.gz PUNPYNHAZIUOOJ-IYBDPMFKSA-N 1 1 336.399 0.891 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)nc1 ZINC001011163436 757084304 /nfs/dbraw/zinc/08/43/04/757084304.db2.gz LENVGIQHTMEYEX-UHFFFAOYSA-N 1 1 337.383 0.552 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001048824952 757116261 /nfs/dbraw/zinc/11/62/61/757116261.db2.gz QBCUZVJSCNDLKP-ULQDDVLXSA-N 1 1 347.459 0.303 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC3CC3)C2)CC[N@H+]1C ZINC001048828103 757124203 /nfs/dbraw/zinc/12/42/03/757124203.db2.gz FHANQKMAZYXUKZ-HJWJTTGWSA-N 1 1 347.459 0.160 20 30 ECEDMO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048832186 757134022 /nfs/dbraw/zinc/13/40/22/757134022.db2.gz DZTVIERYCBKKNS-PMPSAXMXSA-N 1 1 349.475 0.408 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nonc3C)C[C@H]2C1 ZINC001048868979 757234859 /nfs/dbraw/zinc/23/48/59/757234859.db2.gz RSMRUWBUUGSQHI-UXLLHSPISA-N 1 1 343.431 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nonc3C)C[C@H]2C1 ZINC001048868979 757234864 /nfs/dbraw/zinc/23/48/64/757234864.db2.gz RSMRUWBUUGSQHI-UXLLHSPISA-N 1 1 343.431 0.366 20 30 ECEDMO C#CCN1CC(n2cc(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107180469 757301482 /nfs/dbraw/zinc/30/14/82/757301482.db2.gz TXQCHZYARGMSJR-HNNXBMFYSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@H]2C1 ZINC001048888689 757304668 /nfs/dbraw/zinc/30/46/68/757304668.db2.gz KBSCFWQNTNULIL-XHSDSOJGSA-N 1 1 342.443 0.871 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CCNC(=O)C3)nn2)C1 ZINC001107182094 757315746 /nfs/dbraw/zinc/31/57/46/757315746.db2.gz OEDVKCDEOOEQDX-KRWDZBQOSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]2C1 ZINC001048893304 757316955 /nfs/dbraw/zinc/31/69/55/757316955.db2.gz SWKQFDLMVROVME-OKILXGFUSA-N 1 1 348.834 0.866 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(C)C(=O)C3)C[C@H]2C1 ZINC001048898316 757334412 /nfs/dbraw/zinc/33/44/12/757334412.db2.gz OMDSLCCFZPITBP-MCIONIFRSA-N 1 1 325.840 0.998 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2c2cnc(C#N)cn2)C1 ZINC001060145564 757343634 /nfs/dbraw/zinc/34/36/34/757343634.db2.gz UKKXBDLUNCDWKM-ZFWWWQNUSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048913320 757384948 /nfs/dbraw/zinc/38/49/48/757384948.db2.gz YIAMMUYQCPDSJR-ILXRZTDVSA-N 1 1 337.464 0.571 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3nc(C)no3)nn2)C1 ZINC001107191209 757443395 /nfs/dbraw/zinc/44/33/95/757443395.db2.gz PFPQEEMERLIVCC-UHFFFAOYSA-N 1 1 345.407 0.651 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)nc1 ZINC001021440213 757448221 /nfs/dbraw/zinc/44/82/21/757448221.db2.gz DJIILWLQJANYGL-PRTUASRFSA-N 1 1 326.400 0.662 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@H]2C1 ZINC001048959531 757518624 /nfs/dbraw/zinc/51/86/24/757518624.db2.gz KSUYTAAUIKRSSH-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@H]2C1 ZINC001048964712 757536274 /nfs/dbraw/zinc/53/62/74/757536274.db2.gz GKJRKWBYGMFNLD-KFWWJZLASA-N 1 1 328.416 0.941 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)C[C@H]2C1 ZINC001048975989 757575853 /nfs/dbraw/zinc/57/58/53/757575853.db2.gz CRDWRKJJUIQRQS-IYBDPMFKSA-N 1 1 342.447 0.746 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048977385 757581126 /nfs/dbraw/zinc/58/11/26/757581126.db2.gz TUAGAGZEXHUYKC-JYJNAYRXSA-N 1 1 339.480 0.959 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC/C=C\CNc1nc(C)cc(C#N)n1 ZINC001107200562 757591530 /nfs/dbraw/zinc/59/15/30/757591530.db2.gz OWOKRSZJMPLAMZ-ARJAWSKDSA-N 1 1 325.376 0.946 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC001021567402 757609696 /nfs/dbraw/zinc/60/96/96/757609696.db2.gz RLICVARBLRAQJP-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO O=C(C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1)NC1CC1 ZINC001021581137 757635564 /nfs/dbraw/zinc/63/55/64/757635564.db2.gz MAKFBCZWYVUKGD-NVXWUHKLSA-N 1 1 329.444 0.991 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC001021592630 757657633 /nfs/dbraw/zinc/65/76/33/757657633.db2.gz JKFBNQJYAWTXMQ-BBWFWOEESA-N 1 1 345.443 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC001021592630 757657639 /nfs/dbraw/zinc/65/76/39/757657639.db2.gz JKFBNQJYAWTXMQ-BBWFWOEESA-N 1 1 345.443 0.180 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001021594664 757660192 /nfs/dbraw/zinc/66/01/92/757660192.db2.gz ODPSXNICKUFXLV-GJZGRUSLSA-N 1 1 346.431 0.046 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)C1 ZINC001107210042 757689429 /nfs/dbraw/zinc/68/94/29/757689429.db2.gz BVOKTXLJMKLHQW-XGACYXMMSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)C1 ZINC001107210042 757689430 /nfs/dbraw/zinc/68/94/30/757689430.db2.gz BVOKTXLJMKLHQW-XGACYXMMSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)C1 ZINC001107210985 757697163 /nfs/dbraw/zinc/69/71/63/757697163.db2.gz QYLSDESOLQDKTG-XGACYXMMSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)C1 ZINC001107210985 757697167 /nfs/dbraw/zinc/69/71/67/757697167.db2.gz QYLSDESOLQDKTG-XGACYXMMSA-N 1 1 330.392 0.153 20 30 ECEDMO C=CCCCN1CC(n2cc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)nn2)C1 ZINC001107210853 757697224 /nfs/dbraw/zinc/69/72/24/757697224.db2.gz GJXODYFSEMGRSW-RHSMWYFYSA-N 1 1 346.479 0.915 20 30 ECEDMO C=CCCCN1CC(n2cc(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)nn2)C1 ZINC001107210853 757697230 /nfs/dbraw/zinc/69/72/30/757697230.db2.gz GJXODYFSEMGRSW-RHSMWYFYSA-N 1 1 346.479 0.915 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ccncc2C#N)C1 ZINC001107211132 757699652 /nfs/dbraw/zinc/69/96/52/757699652.db2.gz RWBNJMJKQHSDGC-QGZUEGPWSA-N 1 1 329.404 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ccncc2C#N)C1 ZINC001107211132 757699659 /nfs/dbraw/zinc/69/96/59/757699659.db2.gz RWBNJMJKQHSDGC-QGZUEGPWSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C(N)=O)cn2C)C1 ZINC001021623741 757701552 /nfs/dbraw/zinc/70/15/52/757701552.db2.gz PRTFVEVWDBMXLR-ZFWWWQNUSA-N 1 1 328.416 0.684 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021634254 757715164 /nfs/dbraw/zinc/71/51/64/757715164.db2.gz XWMWIQJTVAHKBE-HOTGVXAUSA-N 1 1 345.447 0.308 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)cn2)C1 ZINC001021636524 757719656 /nfs/dbraw/zinc/71/96/56/757719656.db2.gz QNHWYOIYFIKBNM-GOEBONIOSA-N 1 1 328.416 0.730 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001049023855 757726138 /nfs/dbraw/zinc/72/61/38/757726138.db2.gz LZGISFSAQUTSRW-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001021653107 757741617 /nfs/dbraw/zinc/74/16/17/757741617.db2.gz TYFOIIGLCAYDDP-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC(n2cc(CNC(=O)C[N@H+](C)CC(C)(C)C)nn2)C1 ZINC001107212117 757743951 /nfs/dbraw/zinc/74/39/51/757743951.db2.gz OQUBUWCJFQSRAT-UHFFFAOYSA-N 1 1 334.468 0.915 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@@H]3C2)C1 ZINC001049044186 757771342 /nfs/dbraw/zinc/77/13/42/757771342.db2.gz ABSZFEBPCIYHEC-IXDOHACOSA-N 1 1 344.459 0.991 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@@H]3C2)C1 ZINC001049044185 757771406 /nfs/dbraw/zinc/77/14/06/757771406.db2.gz ABSZFEBPCIYHEC-BBWFWOEESA-N 1 1 344.459 0.991 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3nncn3C)C[C@@H]2C1 ZINC001049068397 757869695 /nfs/dbraw/zinc/86/96/95/757869695.db2.gz RQZKENXEZYHSRA-RBZJEDDUSA-N 1 1 345.447 0.857 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3nncn3C)C[C@@H]2C1 ZINC001049068397 757869703 /nfs/dbraw/zinc/86/97/03/757869703.db2.gz RQZKENXEZYHSRA-RBZJEDDUSA-N 1 1 345.447 0.857 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2C1 ZINC001049068335 757870060 /nfs/dbraw/zinc/87/00/60/757870060.db2.gz QNOHLKHSFCLQIN-TWMKSMIVSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001076996625 757898816 /nfs/dbraw/zinc/89/88/16/757898816.db2.gz GRGBJYFUCHKHBN-DAXOMENPSA-N 1 1 336.436 0.750 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](CCC)NC(N)=O)nn2)C1 ZINC001107233028 757973798 /nfs/dbraw/zinc/97/37/98/757973798.db2.gz ACQBFNKPGVNFSG-CQSZACIVSA-N 1 1 349.439 0.164 20 30 ECEDMO COCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001021946281 758089510 /nfs/dbraw/zinc/08/95/10/758089510.db2.gz LFJMJZTZNCJPMQ-PHIMTYICSA-N 1 1 330.348 0.466 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049149190 758128893 /nfs/dbraw/zinc/12/88/93/758128893.db2.gz AZQBBAWWJGNBMK-HOTGVXAUSA-N 1 1 337.464 0.552 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnn(C)c3)CCC[C@@H]12 ZINC001107274189 758162334 /nfs/dbraw/zinc/16/23/34/758162334.db2.gz SQPFRRRFQXCDRN-CRAIPNDOSA-N 1 1 343.431 0.144 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001049159952 758172081 /nfs/dbraw/zinc/17/20/81/758172081.db2.gz YBGZSLOJHTWAAA-ILXRZTDVSA-N 1 1 337.464 0.713 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001049163184 758184952 /nfs/dbraw/zinc/18/49/52/758184952.db2.gz FVYHAMNEFKATRA-GJZGRUSLSA-N 1 1 348.447 0.824 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]2C1 ZINC001049169304 758202149 /nfs/dbraw/zinc/20/21/49/758202149.db2.gz MNTPIIHXBLFQNN-TXEJJXNPSA-N 1 1 348.403 0.866 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ncoc3C)CCC[C@@H]12 ZINC001107307458 758229525 /nfs/dbraw/zinc/22/95/25/758229525.db2.gz WORWVNRIIFZJBT-RDTXWAMCSA-N 1 1 344.415 0.707 20 30 ECEDMO Cn1nccc1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107309195 758233610 /nfs/dbraw/zinc/23/36/10/758233610.db2.gz DBALIKGTHQVVPK-RHSMWYFYSA-N 1 1 344.419 0.034 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]3C2)c1 ZINC001049179737 758239476 /nfs/dbraw/zinc/23/94/76/758239476.db2.gz KLDDGJXWTGWPNS-BBWFWOEESA-N 1 1 338.411 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnc(C)cn1 ZINC001077123982 758250648 /nfs/dbraw/zinc/25/06/48/758250648.db2.gz IGBONNMAYCYSAV-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnc(C)cn1 ZINC001077123982 758250653 /nfs/dbraw/zinc/25/06/53/758250653.db2.gz IGBONNMAYCYSAV-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001051658187 762612431 /nfs/dbraw/zinc/61/24/31/762612431.db2.gz NDNMCBPXKVAGTH-ZFWWWQNUSA-N 1 1 340.387 0.663 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077128879 758267513 /nfs/dbraw/zinc/26/75/13/758267513.db2.gz JJSNXEGCBTYWAD-RRFJBIMHSA-N 1 1 329.872 0.878 20 30 ECEDMO C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128732 758268063 /nfs/dbraw/zinc/26/80/63/758268063.db2.gz CCSAEYXCERICQT-IXDOHACOSA-N 1 1 337.464 0.367 20 30 ECEDMO C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128732 758268072 /nfs/dbraw/zinc/26/80/72/758268072.db2.gz CCSAEYXCERICQT-IXDOHACOSA-N 1 1 337.464 0.367 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001022099865 758276268 /nfs/dbraw/zinc/27/62/68/758276268.db2.gz RUAGOJMGMJFHKR-BARDWOONSA-N 1 1 348.451 0.972 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001077124900 758286135 /nfs/dbraw/zinc/28/61/35/758286135.db2.gz IOKQEWALKUAANS-BBWFWOEESA-N 1 1 348.491 0.579 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nc(C)c[nH]1 ZINC001077124856 758286334 /nfs/dbraw/zinc/28/63/34/758286334.db2.gz GQTIDCPFEWTMAE-JSGCOSHPSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nc(C)c[nH]1 ZINC001077124856 758286343 /nfs/dbraw/zinc/28/63/43/758286343.db2.gz GQTIDCPFEWTMAE-JSGCOSHPSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001077124901 758286480 /nfs/dbraw/zinc/28/64/80/758286480.db2.gz IOKQEWALKUAANS-ULQDDVLXSA-N 1 1 348.491 0.579 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCc1cn[nH]c1 ZINC001077124779 758286598 /nfs/dbraw/zinc/28/65/98/758286598.db2.gz FKHYNNDMJHULKV-HOCLYGCPSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCc1cn[nH]c1 ZINC001077124779 758286609 /nfs/dbraw/zinc/28/66/09/758286609.db2.gz FKHYNNDMJHULKV-HOCLYGCPSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCOCC1CC1 ZINC001077124950 758288995 /nfs/dbraw/zinc/28/89/95/758288995.db2.gz KFEFKKYAULMSQO-RDJZCZTQSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCOCC1CC1 ZINC001077124950 758289004 /nfs/dbraw/zinc/28/90/04/758289004.db2.gz KFEFKKYAULMSQO-RDJZCZTQSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001077133147 758302204 /nfs/dbraw/zinc/30/22/04/758302204.db2.gz HRPAKYHKCAACIF-HUUCEWRRSA-N 1 1 330.384 0.646 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CCc3cnc[nH]3)CC2)C1=O ZINC000996650465 758307488 /nfs/dbraw/zinc/30/74/88/758307488.db2.gz IUXSOODECXDYNX-INIZCTEOSA-N 1 1 345.447 0.710 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3ccon3)CCC[C@@H]12 ZINC001107343228 758314118 /nfs/dbraw/zinc/31/41/18/758314118.db2.gz RDGJEDJIQGXDMX-RHSMWYFYSA-N 1 1 345.403 0.218 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NCC2=CCN(c3cncc(C#N)n3)CC2)C1 ZINC001127755905 758318280 /nfs/dbraw/zinc/31/82/80/758318280.db2.gz FFOOSUNTECZLMR-AWEZNQCLSA-N 1 1 340.431 0.943 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N3CCOCC3)C[C@H]2C1 ZINC001049226687 758381680 /nfs/dbraw/zinc/38/16/80/758381680.db2.gz QDINDKWNDBITSG-FGTMMUONSA-N 1 1 331.460 0.511 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001077163251 758390508 /nfs/dbraw/zinc/39/05/08/758390508.db2.gz HQYKFLVXUDZUTB-JFIYKMOQSA-N 1 1 327.428 0.795 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001077163251 758390516 /nfs/dbraw/zinc/39/05/16/758390516.db2.gz HQYKFLVXUDZUTB-JFIYKMOQSA-N 1 1 327.428 0.795 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001077164034 758393188 /nfs/dbraw/zinc/39/31/88/758393188.db2.gz BKRATXVXZHOEEU-BRSBDYLESA-N 1 1 346.427 0.881 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(c3ccnc(C#N)n3)C[C@H]2C1 ZINC001049244618 758421555 /nfs/dbraw/zinc/42/15/55/758421555.db2.gz KQUMDFHUUGIPQQ-QLFBSQMISA-N 1 1 340.431 0.727 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccnc(-n4cncn4)c3)C[C@H]2C1 ZINC001049248156 758429672 /nfs/dbraw/zinc/42/96/72/758429672.db2.gz OUHVWSYFQPAUQP-IYBDPMFKSA-N 1 1 336.399 0.689 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001077185141 758444139 /nfs/dbraw/zinc/44/41/39/758444139.db2.gz MRFJOXCXSRJPOY-IAGOWNOFSA-N 1 1 328.412 0.739 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001077185141 758444141 /nfs/dbraw/zinc/44/41/41/758444141.db2.gz MRFJOXCXSRJPOY-IAGOWNOFSA-N 1 1 328.412 0.739 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001049282802 758471301 /nfs/dbraw/zinc/47/13/01/758471301.db2.gz DYCJIGUTWFTNLG-QAETUUGQSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107401554 758499881 /nfs/dbraw/zinc/49/98/81/758499881.db2.gz TYQQKADTNKFKOM-FRQCXROJSA-N 1 1 347.459 0.618 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@]34C[C@H]3COC4)CCC[C@@H]12 ZINC001107413632 758527160 /nfs/dbraw/zinc/52/71/60/758527160.db2.gz JIIJSGSGCCZIAO-JFTQMJAMSA-N 1 1 346.431 0.023 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CNS(=O)(=O)CC)CCC[C@@H]12 ZINC001107426250 758535061 /nfs/dbraw/zinc/53/50/61/758535061.db2.gz LBYGHBQSINOHNY-GDBMZVCRSA-N 1 1 343.493 0.863 20 30 ECEDMO C#CCC1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)CCOCC1 ZINC001107433225 758557454 /nfs/dbraw/zinc/55/74/54/758557454.db2.gz UYIDPTNQDUNMEG-DNVCBOLYSA-N 1 1 347.459 0.653 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049355367 758559539 /nfs/dbraw/zinc/55/95/39/758559539.db2.gz BRSMLCIMMGLWFB-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001049361226 758567669 /nfs/dbraw/zinc/56/76/69/758567669.db2.gz SVAAQTICUYXLKU-WCVJEAGWSA-N 1 1 337.464 0.713 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC001107439657 758569599 /nfs/dbraw/zinc/56/95/99/758569599.db2.gz LHRZTFCVPNMALF-PMUMKWKESA-N 1 1 348.447 0.912 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCNS(C)(=O)=O)CCC[C@@H]12 ZINC001107430110 758571727 /nfs/dbraw/zinc/57/17/27/758571727.db2.gz XGCURNXPMIBTLS-GDBMZVCRSA-N 1 1 341.477 0.310 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077237636 758572810 /nfs/dbraw/zinc/57/28/10/758572810.db2.gz NRDGNSZVCXSJBI-KZNAEPCWSA-N 1 1 342.443 0.704 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCN1C(=O)CNC1=O ZINC001049374073 758586320 /nfs/dbraw/zinc/58/63/20/758586320.db2.gz XQICMCOACNXJPI-HZSPNIEDSA-N 1 1 347.419 0.153 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(c4cnc(C#N)cn4)C[C@H]3C2)C1 ZINC001049383550 758605511 /nfs/dbraw/zinc/60/55/11/758605511.db2.gz BBRGJZKKVDHIEI-KFWWJZLASA-N 1 1 340.431 0.585 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)N2CCC2)c1 ZINC001049401187 758634201 /nfs/dbraw/zinc/63/42/01/758634201.db2.gz MSJXELDZRLHNRM-JKSUJKDBSA-N 1 1 341.415 0.798 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001077265060 758640916 /nfs/dbraw/zinc/64/09/16/758640916.db2.gz BZRBQDGWYLBRJC-KZNAEPCWSA-N 1 1 328.412 0.989 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2cc(C)on2)C1=O ZINC001032321293 758660526 /nfs/dbraw/zinc/66/05/26/758660526.db2.gz NSYFNWKKJMUAEW-JYJNAYRXSA-N 1 1 344.415 0.598 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2cc(C)on2)C1=O ZINC001032321293 758660531 /nfs/dbraw/zinc/66/05/31/758660531.db2.gz NSYFNWKKJMUAEW-JYJNAYRXSA-N 1 1 344.415 0.598 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)N2CCC2)c[nH]1 ZINC001049424632 758668506 /nfs/dbraw/zinc/66/85/06/758668506.db2.gz FWIXTJFPYBYEHN-HZPDHXFCSA-N 1 1 341.415 0.798 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3(COC)CC3)CCC[C@@H]12 ZINC001107472969 758676065 /nfs/dbraw/zinc/67/60/65/758676065.db2.gz UMSKHZWREJKRCP-CRAIPNDOSA-N 1 1 347.459 0.523 20 30 ECEDMO C=CCCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)CC1 ZINC001049454164 758732633 /nfs/dbraw/zinc/73/26/33/758732633.db2.gz QJFQQJIWXCWXRZ-JYJNAYRXSA-N 1 1 349.475 0.715 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC001049458578 758745176 /nfs/dbraw/zinc/74/51/76/758745176.db2.gz YBZPPKAZGGQSSM-JKSUJKDBSA-N 1 1 343.427 0.614 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC001049458576 758745192 /nfs/dbraw/zinc/74/51/92/758745192.db2.gz YBZPPKAZGGQSSM-HOTGVXAUSA-N 1 1 343.427 0.614 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCNC3=O)CCC[C@@H]12 ZINC001107494867 758749027 /nfs/dbraw/zinc/74/90/27/758749027.db2.gz DBBBQBNZWXDIGU-IIDMSEBBSA-N 1 1 333.432 0.133 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(CCOC)nn1 ZINC001049465826 758761199 /nfs/dbraw/zinc/76/11/99/758761199.db2.gz WBWGMWJOHHMNMT-HOTGVXAUSA-N 1 1 331.420 0.627 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(CCOC)nn1 ZINC001049465828 758761355 /nfs/dbraw/zinc/76/13/55/758761355.db2.gz WBWGMWJOHHMNMT-JKSUJKDBSA-N 1 1 331.420 0.627 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001049474939 758778588 /nfs/dbraw/zinc/77/85/88/758778588.db2.gz RUWAGICRZGKXLT-GJZGRUSLSA-N 1 1 345.443 0.860 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001049483283 758794200 /nfs/dbraw/zinc/79/42/00/758794200.db2.gz UQCBIBJPFVTAIN-ZIAGYGMSSA-N 1 1 346.435 0.409 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O ZINC001049561562 758925269 /nfs/dbraw/zinc/92/52/69/758925269.db2.gz NAKXBKUYURGSLB-CHWSQXEVSA-N 1 1 339.827 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O ZINC001049561562 758925271 /nfs/dbraw/zinc/92/52/71/758925271.db2.gz NAKXBKUYURGSLB-CHWSQXEVSA-N 1 1 339.827 0.400 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001049564956 758929596 /nfs/dbraw/zinc/92/95/96/758929596.db2.gz QMXHMCZXQIUTHB-KGLIPLIRSA-N 1 1 325.372 0.976 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001077373952 758932322 /nfs/dbraw/zinc/93/23/22/758932322.db2.gz VRSFVYDCEUTACQ-XLSPSMHOSA-N 1 1 340.423 0.911 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001049571782 758942249 /nfs/dbraw/zinc/94/22/49/758942249.db2.gz HANNLAUSXAHVHL-HUUCEWRRSA-N 1 1 340.383 0.725 20 30 ECEDMO N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049613534 758994134 /nfs/dbraw/zinc/99/41/34/758994134.db2.gz XOILOFGWUGMIHS-SYGRHNPNSA-N 1 1 330.432 0.438 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001022736803 759067395 /nfs/dbraw/zinc/06/73/95/759067395.db2.gz CTXIKKDJZJSOIF-RQJABVFESA-N 1 1 334.424 0.411 20 30 ECEDMO COC[C@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC(C)C)C2)nn1 ZINC001098669955 759086909 /nfs/dbraw/zinc/08/69/09/759086909.db2.gz ZMPMCAWEPMDPMG-GOEBONIOSA-N 1 1 333.436 0.835 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)cc1 ZINC001049693400 759107659 /nfs/dbraw/zinc/10/76/59/759107659.db2.gz YNANOKWWALDDPG-CVEARBPZSA-N 1 1 342.399 0.640 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)cc1F ZINC001049692180 759107735 /nfs/dbraw/zinc/10/77/35/759107735.db2.gz QSSUKJCQZHPOPV-HUUCEWRRSA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)cc1F ZINC001049692180 759107741 /nfs/dbraw/zinc/10/77/41/759107741.db2.gz QSSUKJCQZHPOPV-HUUCEWRRSA-N 1 1 330.363 0.748 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)N(C)C)c1 ZINC001049706173 759115940 /nfs/dbraw/zinc/11/59/40/759115940.db2.gz HNHOKOBQZFAOKG-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)N(C)C)c1 ZINC001049706173 759115944 /nfs/dbraw/zinc/11/59/44/759115944.db2.gz HNHOKOBQZFAOKG-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022827909 759150401 /nfs/dbraw/zinc/15/04/01/759150401.db2.gz NLTMBKXDADIDEL-XFMPKHEZSA-N 1 1 334.424 0.318 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nnnc1C(C)C ZINC001049772350 759186831 /nfs/dbraw/zinc/18/68/31/759186831.db2.gz GBQVLTGIJCBGCA-HUUCEWRRSA-N 1 1 330.436 0.885 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049778556 759193809 /nfs/dbraw/zinc/19/38/09/759193809.db2.gz PUJWTMFEIAFMCO-OOWFEOPPSA-N 1 1 346.431 0.616 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049786694 759204644 /nfs/dbraw/zinc/20/46/44/759204644.db2.gz DJQBCBOAMZJQTQ-CABCVRRESA-N 1 1 346.431 0.568 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049787294 759206229 /nfs/dbraw/zinc/20/62/29/759206229.db2.gz GVBJHCLLYDODNI-LSDHHAIUSA-N 1 1 346.431 0.568 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cnc3ccccc3c2O)[C@@H](O)C1 ZINC001083597177 759218548 /nfs/dbraw/zinc/21/85/48/759218548.db2.gz HEIZSEBBMLAJHI-CVEARBPZSA-N 1 1 327.384 0.879 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049829167 759263200 /nfs/dbraw/zinc/26/32/00/759263200.db2.gz ANJKLMDUAZNWDO-UONOGXRCSA-N 1 1 332.404 0.017 20 30 ECEDMO N#Cc1ccccc1CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030346848 762698874 /nfs/dbraw/zinc/69/88/74/762698874.db2.gz GBJYMZCUANRGET-QZTJIDSGSA-N 1 1 340.427 0.722 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)NC)nc1 ZINC001049853176 759304257 /nfs/dbraw/zinc/30/42/57/759304257.db2.gz ABUQQXDXZHAANG-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)NC)nc1 ZINC001049853176 759304262 /nfs/dbraw/zinc/30/42/62/759304262.db2.gz ABUQQXDXZHAANG-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001049861919 759312094 /nfs/dbraw/zinc/31/20/94/759312094.db2.gz GBGPPCRYNYDLEY-IIAWOOMASA-N 1 1 341.477 0.710 20 30 ECEDMO C=CCOCC(=O)N1CCC(OC2C[NH+]([C@@H](C)COC)C2)CC1 ZINC001105698696 759335855 /nfs/dbraw/zinc/33/58/55/759335855.db2.gz OSJYJAFKCZOPAI-AWEZNQCLSA-N 1 1 326.437 0.916 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCN(C(N)=O)CC1 ZINC001049883126 759341595 /nfs/dbraw/zinc/34/15/95/759341595.db2.gz HJJQTZQSQKROHL-HZPDHXFCSA-N 1 1 332.448 0.866 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001049886299 759348738 /nfs/dbraw/zinc/34/87/38/759348738.db2.gz SNLKHJQQUQGDDU-BFHYXJOUSA-N 1 1 332.404 0.063 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049886382 759350304 /nfs/dbraw/zinc/35/03/04/759350304.db2.gz TXSGTUOUMNUQBY-ZIAGYGMSSA-N 1 1 330.388 0.188 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001047635242 759362959 /nfs/dbraw/zinc/36/29/59/759362959.db2.gz DPSVYSOLEOQNCM-IRXDYDNUSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1-n1cnnn1 ZINC001049896075 759371221 /nfs/dbraw/zinc/37/12/21/759371221.db2.gz WXKKYVJPTZXGNB-SJORKVTESA-N 1 1 336.399 0.974 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC001047637988 759371982 /nfs/dbraw/zinc/37/19/82/759371982.db2.gz WLABHBFIPCOAID-ULQDDVLXSA-N 1 1 337.464 0.177 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3onc(CC)c3c2)C1 ZINC001047640099 759380999 /nfs/dbraw/zinc/38/09/99/759380999.db2.gz JMIOGKBGDVHWNM-HOTGVXAUSA-N 1 1 342.399 0.926 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3onc(CC)c3c2)C1 ZINC001047640099 759381009 /nfs/dbraw/zinc/38/10/09/759381009.db2.gz JMIOGKBGDVHWNM-HOTGVXAUSA-N 1 1 342.399 0.926 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccnc1C(N)=O ZINC001049907926 759392443 /nfs/dbraw/zinc/39/24/43/759392443.db2.gz LMUUGOWFZFAQPN-CABCVRRESA-N 1 1 326.400 0.883 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ncnc2OC)C1 ZINC001047645106 759394461 /nfs/dbraw/zinc/39/44/61/759394461.db2.gz FRVDLPVXQPAKNV-RYUDHWBXSA-N 1 1 336.392 0.187 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ncnc2OC)C1 ZINC001047645106 759394473 /nfs/dbraw/zinc/39/44/73/759394473.db2.gz FRVDLPVXQPAKNV-RYUDHWBXSA-N 1 1 336.392 0.187 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3C[C@@H](C)O)CC1 ZINC001049918804 759403014 /nfs/dbraw/zinc/40/30/14/759403014.db2.gz MOTHSKUHJIXKCI-KBAYOESNSA-N 1 1 333.476 0.778 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3C[C@@H](C)O)CC1 ZINC001049918804 759403022 /nfs/dbraw/zinc/40/30/22/759403022.db2.gz MOTHSKUHJIXKCI-KBAYOESNSA-N 1 1 333.476 0.778 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001054242217 767857574 /nfs/dbraw/zinc/85/75/74/767857574.db2.gz HURBFNYZALZFLX-MJGOQNOKSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001077430329 759534206 /nfs/dbraw/zinc/53/42/06/759534206.db2.gz IDLQZPFJCMDECF-RBSFLKMASA-N 1 1 333.436 0.276 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001050012002 759546246 /nfs/dbraw/zinc/54/62/46/759546246.db2.gz XLFYTPOLZCQEEG-NWANDNLSSA-N 1 1 329.404 0.687 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H](O)C1 ZINC001083623967 759557720 /nfs/dbraw/zinc/55/77/20/759557720.db2.gz IGFVJBFUZIYVLE-CVEARBPZSA-N 1 1 329.400 0.922 20 30 ECEDMO C=CCC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)NC(N)=O)CC2)C1 ZINC001105708361 759594478 /nfs/dbraw/zinc/59/44/78/759594478.db2.gz CUZNORWNCZIRGN-ZDUSSCGKSA-N 1 1 338.452 0.701 20 30 ECEDMO CN1CCC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)C1=O ZINC001050045258 759609895 /nfs/dbraw/zinc/60/98/95/759609895.db2.gz ZFCGJVBJRBLUNR-YESZJQIVSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001050060950 759634052 /nfs/dbraw/zinc/63/40/52/759634052.db2.gz FAHLEAHVKISGRI-ARFHVFGLSA-N 1 1 333.432 0.037 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001050081632 759669444 /nfs/dbraw/zinc/66/94/44/759669444.db2.gz KLRYOUVLZMTBNH-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3nnc(-c4ccco4)n3)[C@@H]2C1 ZINC001050083118 759672507 /nfs/dbraw/zinc/67/25/07/759672507.db2.gz MSIMKCSHRARLDT-UONOGXRCSA-N 1 1 340.387 0.489 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1 ZINC001050088905 759683189 /nfs/dbraw/zinc/68/31/89/759683189.db2.gz RPCFNMYSFHCBRJ-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2ccc3c(c2)CN(CC#N)C3)O1 ZINC001054269894 767884155 /nfs/dbraw/zinc/88/41/55/767884155.db2.gz UEMKNEYLTDNENP-CXAGYDPISA-N 1 1 328.416 0.861 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2ccc3c(c2)CN(CC#N)C3)O1 ZINC001054269894 767884159 /nfs/dbraw/zinc/88/41/59/767884159.db2.gz UEMKNEYLTDNENP-CXAGYDPISA-N 1 1 328.416 0.861 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)nn1 ZINC001050160661 759828224 /nfs/dbraw/zinc/82/82/24/759828224.db2.gz NDPQDTGRYKQQHD-OFQRWUPVSA-N 1 1 333.436 0.771 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cccn4c(=O)[nH]nc34)[C@@H]2C1 ZINC001050180559 759882740 /nfs/dbraw/zinc/88/27/40/759882740.db2.gz GWSDGIFSYSSFCB-DZGCQCFKSA-N 1 1 339.399 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H](CC)C(N)=O)C[C@H]32)cn1 ZINC001050185482 759897215 /nfs/dbraw/zinc/89/72/15/759897215.db2.gz DUXUXVLRLUBYCZ-BHYGNILZSA-N 1 1 340.427 0.863 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)[C@@H]2C1 ZINC001050189139 759903801 /nfs/dbraw/zinc/90/38/01/759903801.db2.gz TZSVLGVHJSIKJP-JKSUJKDBSA-N 1 1 328.416 0.498 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 ZINC001050194125 759912840 /nfs/dbraw/zinc/91/28/40/759912840.db2.gz VZZSIJISNPPHRC-JKSUJKDBSA-N 1 1 347.463 0.779 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1OC ZINC001212139093 759956084 /nfs/dbraw/zinc/95/60/84/759956084.db2.gz QKMPNWDCANHLQP-HZPDHXFCSA-N 1 1 347.390 0.281 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1OC ZINC001212139093 759956091 /nfs/dbraw/zinc/95/60/91/759956091.db2.gz QKMPNWDCANHLQP-HZPDHXFCSA-N 1 1 347.390 0.281 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(CC)n(C)n3)C2)C1=O ZINC001032227530 759968773 /nfs/dbraw/zinc/96/87/73/759968773.db2.gz BXCDLGDXMMUDFX-MRXNPFEDSA-N 1 1 345.447 0.431 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C ZINC000945316303 760069439 /nfs/dbraw/zinc/06/94/39/760069439.db2.gz JLZYBOWNTCOPHZ-BBRMVZONSA-N 1 1 328.416 0.958 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001012504928 760123228 /nfs/dbraw/zinc/12/32/28/760123228.db2.gz YWBFDXNCIPWQDP-XHDPSFHLSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCC)C1 ZINC001048260737 760179710 /nfs/dbraw/zinc/17/97/10/760179710.db2.gz OUCOBSXDCAKRIU-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCC)C1 ZINC001048260737 760179717 /nfs/dbraw/zinc/17/97/17/760179717.db2.gz OUCOBSXDCAKRIU-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@H](OC)C1 ZINC001212141461 760257911 /nfs/dbraw/zinc/25/79/11/760257911.db2.gz UTQGBEUXWWANHO-DGCLKSJQSA-N 1 1 325.365 0.315 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@H](OC)C1 ZINC001212141461 760257917 /nfs/dbraw/zinc/25/79/17/760257917.db2.gz UTQGBEUXWWANHO-DGCLKSJQSA-N 1 1 325.365 0.315 20 30 ECEDMO Cn1cc(C[NH+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)CC2)nn1 ZINC001050477695 760331818 /nfs/dbraw/zinc/33/18/18/760331818.db2.gz ZUWVHTDMHJBVNW-UHFFFAOYSA-N 1 1 339.403 0.753 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC001127051306 760494890 /nfs/dbraw/zinc/49/48/90/760494890.db2.gz FPAWFCPBDOAQHM-SNVBAGLBSA-N 1 1 332.326 0.683 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@H](C)c2n[nH]c(C)n2)C1 ZINC001030024738 760630267 /nfs/dbraw/zinc/63/02/67/760630267.db2.gz RHDSQHVSLKXFFK-BMFZPTHFSA-N 1 1 344.463 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@H](C)c2nnc(C)[nH]2)C1 ZINC001030024738 760630268 /nfs/dbraw/zinc/63/02/68/760630268.db2.gz RHDSQHVSLKXFFK-BMFZPTHFSA-N 1 1 344.463 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@H](C)c2nnc(C)[nH]2)C1 ZINC001030024738 760630269 /nfs/dbraw/zinc/63/02/69/760630269.db2.gz RHDSQHVSLKXFFK-BMFZPTHFSA-N 1 1 344.463 0.852 20 30 ECEDMO C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050667322 760645629 /nfs/dbraw/zinc/64/56/29/760645629.db2.gz WZYFBXKQXMZZDF-NVXWUHKLSA-N 1 1 347.459 0.475 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@@H](O)C1 ZINC001083723328 767971113 /nfs/dbraw/zinc/97/11/13/767971113.db2.gz FPDJURHLARIXED-PMPSAXMXSA-N 1 1 325.453 0.223 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)nn1 ZINC001048572807 760735077 /nfs/dbraw/zinc/73/50/77/760735077.db2.gz SDEABLGXJPJCGJ-BTTYYORXSA-N 1 1 346.435 0.183 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(=O)n3[nH]cnc3n1)C2 ZINC001048582500 760752050 /nfs/dbraw/zinc/75/20/50/760752050.db2.gz PJIQUGZJUJCLBC-CLLJXQQHSA-N 1 1 340.387 0.024 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1ncccc1C#N ZINC001048613454 760792197 /nfs/dbraw/zinc/79/21/97/760792197.db2.gz RMZNTCNPBLVHFK-XHSDSOJGSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1ncccc1C#N ZINC001048613454 760792202 /nfs/dbraw/zinc/79/22/02/760792202.db2.gz RMZNTCNPBLVHFK-XHSDSOJGSA-N 1 1 343.431 0.757 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C ZINC001050801214 760879250 /nfs/dbraw/zinc/87/92/50/760879250.db2.gz LKMFPVACFZYBTM-OLZOCXBDSA-N 1 1 325.376 0.637 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CCCC)[C@@H](O)C1 ZINC001083670897 760914886 /nfs/dbraw/zinc/91/48/86/760914886.db2.gz RQHZNYBURVBKQE-OAGGEKHMSA-N 1 1 325.453 0.225 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4COCCO4)C[C@H]3C2)cc1 ZINC001048690203 760940892 /nfs/dbraw/zinc/94/08/92/760940892.db2.gz IVDQMVNLTOFPEM-FGTMMUONSA-N 1 1 341.411 0.864 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC000996058013 760989955 /nfs/dbraw/zinc/98/99/55/760989955.db2.gz DHPYBFHTHMCANZ-UHFFFAOYSA-N 1 1 327.388 0.820 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1ccnc(C#N)n1 ZINC001048710950 760996260 /nfs/dbraw/zinc/99/62/60/760996260.db2.gz MUJTYNXOBAMROZ-MELADBBJSA-N 1 1 328.420 0.773 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]3C2)s1 ZINC001048721506 761032341 /nfs/dbraw/zinc/03/23/41/761032341.db2.gz GQIHIDSYFDTBLO-TYNCELHUSA-N 1 1 344.440 0.789 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)cc1C#N ZINC001048732662 761065945 /nfs/dbraw/zinc/06/59/45/761065945.db2.gz JQWULVUUSISCBA-GASCZTMLSA-N 1 1 342.399 0.332 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCCO4)C[C@H]3C2)C1=O ZINC001048768175 761146054 /nfs/dbraw/zinc/14/60/54/761146054.db2.gz SGWKMYURUNPBEJ-YVSFHVDLSA-N 1 1 347.459 0.733 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNc2ccnc(C#N)n2)C1 ZINC001060254111 761147757 /nfs/dbraw/zinc/14/77/57/761147757.db2.gz URUMCUSUZQPQKD-KBPBESRZSA-N 1 1 328.420 0.515 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001077446514 761158648 /nfs/dbraw/zinc/15/86/48/761158648.db2.gz KFCRMRHNYNKTQV-MGPQQGTHSA-N 1 1 336.461 0.849 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)C1 ZINC000991491995 761194917 /nfs/dbraw/zinc/19/49/17/761194917.db2.gz YZNSKLCRHHWHOQ-GJZGRUSLSA-N 1 1 346.431 0.626 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001050951719 761205848 /nfs/dbraw/zinc/20/58/48/761205848.db2.gz JPQMAIPEURIHCT-GFCCVEGCSA-N 1 1 345.403 0.681 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001050951719 761205854 /nfs/dbraw/zinc/20/58/54/761205854.db2.gz JPQMAIPEURIHCT-GFCCVEGCSA-N 1 1 345.403 0.681 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1OC ZINC001212149959 761317956 /nfs/dbraw/zinc/31/79/56/761317956.db2.gz LPRDVUVQJIHHAK-HUUCEWRRSA-N 1 1 335.448 0.378 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051029610 761364867 /nfs/dbraw/zinc/36/48/67/761364867.db2.gz QVIKGZKIGKJJTN-NDUQDZPOSA-N 1 1 335.448 0.243 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)n1 ZINC001054547178 768037990 /nfs/dbraw/zinc/03/79/90/768037990.db2.gz LMQRUMFOMBWOQW-XHDPSFHLSA-N 1 1 327.392 0.748 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C#N)c(Cl)s1 ZINC001105756153 761535521 /nfs/dbraw/zinc/53/55/21/761535521.db2.gz PYGALERKMBZUOK-SCZZXKLOSA-N 1 1 343.840 0.651 20 30 ECEDMO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1[NH2+]Cc1ncnn1CCF ZINC001054587524 768055640 /nfs/dbraw/zinc/05/56/40/768055640.db2.gz LRNUGKLLMYWWKY-FZMZJTMJSA-N 1 1 345.382 0.698 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C)n1 ZINC001054588712 768057091 /nfs/dbraw/zinc/05/70/91/768057091.db2.gz SHSZAXIQNLDNBE-NHYWBVRUSA-N 1 1 327.392 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nccc(C)n2)[C@@H]1C ZINC001051196038 761666908 /nfs/dbraw/zinc/66/69/08/761666908.db2.gz GHRCTXYODVOHDY-PMPSAXMXSA-N 1 1 327.432 0.966 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nccc(C)n2)[C@@H]1C ZINC001051196038 761666910 /nfs/dbraw/zinc/66/69/10/761666910.db2.gz GHRCTXYODVOHDY-PMPSAXMXSA-N 1 1 327.432 0.966 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001051200959 761675733 /nfs/dbraw/zinc/67/57/33/761675733.db2.gz FZCSFWMSVUIVTR-CQSZACIVSA-N 1 1 347.415 0.867 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001051200959 761675739 /nfs/dbraw/zinc/67/57/39/761675739.db2.gz FZCSFWMSVUIVTR-CQSZACIVSA-N 1 1 347.415 0.867 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001051207944 761689845 /nfs/dbraw/zinc/68/98/45/761689845.db2.gz ZEGPUXKSYMKOBS-HOTGVXAUSA-N 1 1 346.431 0.585 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2COCCN2Cc2ccc(C#N)s2)C1 ZINC001051240302 761741833 /nfs/dbraw/zinc/74/18/33/761741833.db2.gz FYUVVWQOVSEGCB-KGLIPLIRSA-N 1 1 348.472 0.888 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@H](C)CCNc1cc(C)[nH+]c(CC)n1 ZINC001106284875 768068080 /nfs/dbraw/zinc/06/80/80/768068080.db2.gz IKNBIIKWZUSGDM-GFCCVEGCSA-N 1 1 331.420 0.794 20 30 ECEDMO CC#CC[N@H+]1CCc2c(CNC(=O)[C@@H]3COC(=O)N3)cccc2C1 ZINC001051286010 761825959 /nfs/dbraw/zinc/82/59/59/761825959.db2.gz BGBADKAYRJYFKC-INIZCTEOSA-N 1 1 327.384 0.793 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCCNC3=O)cccc2C1 ZINC001051290272 761836495 /nfs/dbraw/zinc/83/64/95/761836495.db2.gz ILQSNTGRFSVVQX-QGZVFWFLSA-N 1 1 325.412 0.820 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+]C[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001051695808 762712523 /nfs/dbraw/zinc/71/25/23/762712523.db2.gz MBWYGTUBZGAQBS-AWEZNQCLSA-N 1 1 344.350 0.446 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001051695809 762712895 /nfs/dbraw/zinc/71/28/95/762712895.db2.gz MBWYGTUBZGAQBS-CQSZACIVSA-N 1 1 344.350 0.446 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn4c(n3)CCC4)C2)C1=O ZINC001014481079 762739069 /nfs/dbraw/zinc/73/90/69/762739069.db2.gz WXAIHDFDUXOZFG-ZFWWWQNUSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn4c(n3)CCC4)C2)C1=O ZINC001014481079 762739072 /nfs/dbraw/zinc/73/90/72/762739072.db2.gz WXAIHDFDUXOZFG-ZFWWWQNUSA-N 1 1 343.431 0.420 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncnn3C)C2)cc1 ZINC001051748414 762865677 /nfs/dbraw/zinc/86/56/77/762865677.db2.gz ZAJRSZAAGNWCTF-MRXNPFEDSA-N 1 1 339.399 0.427 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001014616433 762909680 /nfs/dbraw/zinc/90/96/80/762909680.db2.gz LTAICCSJPYJKJS-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001051801758 762998318 /nfs/dbraw/zinc/99/83/18/762998318.db2.gz OYMCQZUUDAPVET-AWEZNQCLSA-N 1 1 349.435 0.172 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)CC1 ZINC001051802454 762999472 /nfs/dbraw/zinc/99/94/72/762999472.db2.gz WRDVNFBPOIWAOH-CQSZACIVSA-N 1 1 334.424 0.274 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)cc1F ZINC001014711622 763026553 /nfs/dbraw/zinc/02/65/53/763026553.db2.gz OUMWUOIJGCSYPF-ZFWWWQNUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)cc1F ZINC001014711622 763026558 /nfs/dbraw/zinc/02/65/58/763026558.db2.gz OUMWUOIJGCSYPF-ZFWWWQNUSA-N 1 1 344.390 0.914 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)c1 ZINC001051816710 763032738 /nfs/dbraw/zinc/03/27/38/763032738.db2.gz LZJODBTWWKQGLO-HNNXBMFYSA-N 1 1 327.344 0.077 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccon3)C2)c1 ZINC001051818319 763035698 /nfs/dbraw/zinc/03/56/98/763035698.db2.gz ZTMODKONVQFFOQ-INIZCTEOSA-N 1 1 326.356 0.682 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nncs2)C1 ZINC001051834472 763077041 /nfs/dbraw/zinc/07/70/41/763077041.db2.gz OTHGZHVGYJZLPR-XQQFMLRXSA-N 1 1 338.433 0.446 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001046772932 763098845 /nfs/dbraw/zinc/09/88/45/763098845.db2.gz CNQKIVXMPJLEJA-YJBOKZPZSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001046772932 763098855 /nfs/dbraw/zinc/09/88/55/763098855.db2.gz CNQKIVXMPJLEJA-YJBOKZPZSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2noc(CC)n2)C1 ZINC001014768299 763121360 /nfs/dbraw/zinc/12/13/60/763121360.db2.gz BIMDADQJYWHVRT-KGLIPLIRSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2noc(CC)n2)C1 ZINC001014768299 763121366 /nfs/dbraw/zinc/12/13/66/763121366.db2.gz BIMDADQJYWHVRT-KGLIPLIRSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(C(C)C)[nH]2)C1 ZINC001014769240 763124295 /nfs/dbraw/zinc/12/42/95/763124295.db2.gz JHWZICIMMKSPMA-CABCVRRESA-N 1 1 344.463 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(C(C)C)[nH]2)C1 ZINC001014769240 763124299 /nfs/dbraw/zinc/12/42/99/763124299.db2.gz JHWZICIMMKSPMA-CABCVRRESA-N 1 1 344.463 0.716 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001054638527 768113632 /nfs/dbraw/zinc/11/36/32/768113632.db2.gz QMUXNERFBWWLCI-TZMCWYRMSA-N 1 1 330.436 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2noc(CCC)n2)C1 ZINC001014771475 763128253 /nfs/dbraw/zinc/12/82/53/763128253.db2.gz ZIVFBNFRYIFPFB-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2noc(CCC)n2)C1 ZINC001014771475 763128257 /nfs/dbraw/zinc/12/82/57/763128257.db2.gz ZIVFBNFRYIFPFB-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccon3)C2)nn1 ZINC001051859842 763133753 /nfs/dbraw/zinc/13/37/53/763133753.db2.gz GQDVCCVDICLLKR-ZDUSSCGKSA-N 1 1 332.364 0.083 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ncc(Cl)n2C)C1 ZINC001014776936 763135752 /nfs/dbraw/zinc/13/57/52/763135752.db2.gz SKIYDSGOJBZOGO-KGLIPLIRSA-N 1 1 349.866 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ncc(Cl)n2C)C1 ZINC001014776936 763135755 /nfs/dbraw/zinc/13/57/55/763135755.db2.gz SKIYDSGOJBZOGO-KGLIPLIRSA-N 1 1 349.866 0.862 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001014777248 763136547 /nfs/dbraw/zinc/13/65/47/763136547.db2.gz VVYDJRWHWJNUBS-ROUUACIJSA-N 1 1 343.475 0.734 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(=O)n1C ZINC001089845611 763149046 /nfs/dbraw/zinc/14/90/46/763149046.db2.gz GBNNKTJEBATJIB-YJNKXOJESA-N 1 1 328.416 0.931 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)s1 ZINC001089852771 763176472 /nfs/dbraw/zinc/17/64/72/763176472.db2.gz KGAHKQRJDADBNP-HPEDKQMDSA-N 1 1 344.440 0.774 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ncccc3C#N)C2)C1 ZINC001051879306 763190350 /nfs/dbraw/zinc/19/03/50/763190350.db2.gz VNWZCJKWYZZZKZ-PESDSKBTSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ncccc3C#N)C2)C1 ZINC001051879306 763190355 /nfs/dbraw/zinc/19/03/55/763190355.db2.gz VNWZCJKWYZZZKZ-PESDSKBTSA-N 1 1 329.404 0.591 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001105982497 763230400 /nfs/dbraw/zinc/23/04/00/763230400.db2.gz POICNOORVWZSME-CABCVRRESA-N 1 1 346.435 0.500 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(=O)cn1 ZINC001089856820 763247528 /nfs/dbraw/zinc/24/75/28/763247528.db2.gz VRNXAMBYEPZHSZ-NHIYQJMISA-N 1 1 326.400 0.576 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)[nH]3)C2)cn1 ZINC001051906503 763296496 /nfs/dbraw/zinc/29/64/96/763296496.db2.gz QADQYIXMBGGXNG-HNNXBMFYSA-N 1 1 340.387 0.120 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001106921296 763346202 /nfs/dbraw/zinc/34/62/02/763346202.db2.gz CWPKJWCVBMEUKH-OAHLLOKOSA-N 1 1 346.435 0.718 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001106921296 763346210 /nfs/dbraw/zinc/34/62/10/763346210.db2.gz CWPKJWCVBMEUKH-OAHLLOKOSA-N 1 1 346.435 0.718 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccn2CC)C1 ZINC000991771189 763370126 /nfs/dbraw/zinc/37/01/26/763370126.db2.gz LIQZOOGRZYIHGR-INIZCTEOSA-N 1 1 328.416 0.546 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccn2CC)C1 ZINC000991771189 763370132 /nfs/dbraw/zinc/37/01/32/763370132.db2.gz LIQZOOGRZYIHGR-INIZCTEOSA-N 1 1 328.416 0.546 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccc(C#N)cn3)C2)C1 ZINC001051947308 763417068 /nfs/dbraw/zinc/41/70/68/763417068.db2.gz DEMLULVKFJTFIP-GPANFISMSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccc(C#N)cn3)C2)C1 ZINC001051947308 763417072 /nfs/dbraw/zinc/41/70/72/763417072.db2.gz DEMLULVKFJTFIP-GPANFISMSA-N 1 1 343.431 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc(=O)c(OC)co2)C1 ZINC001030463513 763444769 /nfs/dbraw/zinc/44/47/69/763444769.db2.gz PCZIVGDZKWYOFU-HNNXBMFYSA-N 1 1 345.399 0.046 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc(=O)c(OC)co2)C1 ZINC001030463513 763444776 /nfs/dbraw/zinc/44/47/76/763444776.db2.gz PCZIVGDZKWYOFU-HNNXBMFYSA-N 1 1 345.399 0.046 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001046951792 763447501 /nfs/dbraw/zinc/44/75/01/763447501.db2.gz NXMONJJERNKJQO-IHRRRGAJSA-N 1 1 330.375 0.887 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001046951792 763447508 /nfs/dbraw/zinc/44/75/08/763447508.db2.gz NXMONJJERNKJQO-IHRRRGAJSA-N 1 1 330.375 0.887 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001046953992 763453886 /nfs/dbraw/zinc/45/38/86/763453886.db2.gz NUJRMNMBBLRKLU-CABCVRRESA-N 1 1 343.418 0.804 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001046953992 763453892 /nfs/dbraw/zinc/45/38/92/763453892.db2.gz NUJRMNMBBLRKLU-CABCVRRESA-N 1 1 343.418 0.804 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000995087214 763455221 /nfs/dbraw/zinc/45/52/21/763455221.db2.gz UUNOCAJWBFQRLB-INIZCTEOSA-N 1 1 326.400 0.488 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001046961502 763468665 /nfs/dbraw/zinc/46/86/65/763468665.db2.gz WMFPGOGIDCUSIC-UONOGXRCSA-N 1 1 341.402 0.999 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001046961502 763468669 /nfs/dbraw/zinc/46/86/69/763468669.db2.gz WMFPGOGIDCUSIC-UONOGXRCSA-N 1 1 341.402 0.999 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001046964893 763477087 /nfs/dbraw/zinc/47/70/87/763477087.db2.gz ZLIIDHUIQPCYCF-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001046964893 763477088 /nfs/dbraw/zinc/47/70/88/763477088.db2.gz ZLIIDHUIQPCYCF-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046969033 763487387 /nfs/dbraw/zinc/48/73/87/763487387.db2.gz UPXBWASCMFPDPS-NWDGAFQWSA-N 1 1 330.379 0.707 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001046974192 763494101 /nfs/dbraw/zinc/49/41/01/763494101.db2.gz GVPWVEYZRZGFFB-MELADBBJSA-N 1 1 341.402 0.807 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001046974192 763494108 /nfs/dbraw/zinc/49/41/08/763494108.db2.gz GVPWVEYZRZGFFB-MELADBBJSA-N 1 1 341.402 0.807 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046979733 763501070 /nfs/dbraw/zinc/50/10/70/763501070.db2.gz AGKFUKVQUBNTEK-LBPRGKRZSA-N 1 1 341.358 0.136 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001040927461 763507688 /nfs/dbraw/zinc/50/76/88/763507688.db2.gz RKHCTSMFDVJJCH-MAUKXSAKSA-N 1 1 335.448 0.067 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cncnc3C)C2)CC1 ZINC001051989031 763525282 /nfs/dbraw/zinc/52/52/82/763525282.db2.gz BYINEKYJHMPZTN-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046993778 763530191 /nfs/dbraw/zinc/53/01/91/763530191.db2.gz WXHLGZWUXMQERQ-JTQLQIEISA-N 1 1 342.346 0.359 20 30 ECEDMO C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3nc[nH]n3)C2)CC1 ZINC001052005420 763570052 /nfs/dbraw/zinc/57/00/52/763570052.db2.gz AQCPAMLPRXWDOS-OAHLLOKOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001014981996 763607517 /nfs/dbraw/zinc/60/75/17/763607517.db2.gz VHVKXSQESOCMRB-GOEBONIOSA-N 1 1 329.400 0.944 20 30 ECEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001014981996 763607520 /nfs/dbraw/zinc/60/75/20/763607520.db2.gz VHVKXSQESOCMRB-GOEBONIOSA-N 1 1 329.400 0.944 20 30 ECEDMO Cc1cnccc1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052027669 763622350 /nfs/dbraw/zinc/62/23/50/763622350.db2.gz IQVHQVBPZWVTCP-KRWDZBQOSA-N 1 1 327.432 0.675 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030234 763628201 /nfs/dbraw/zinc/62/82/01/763628201.db2.gz KCMOFJLCSDNCPV-IRXDYDNUSA-N 1 1 343.475 0.765 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052033745 763637736 /nfs/dbraw/zinc/63/77/36/763637736.db2.gz USOSJNHMGAJLQN-KRWDZBQOSA-N 1 1 331.464 0.676 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052033745 763637744 /nfs/dbraw/zinc/63/77/44/763637744.db2.gz USOSJNHMGAJLQN-KRWDZBQOSA-N 1 1 331.464 0.676 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001052035235 763640529 /nfs/dbraw/zinc/64/05/29/763640529.db2.gz FGYQJDAKWLSISG-MSOLQXFVSA-N 1 1 332.492 0.713 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001077574183 763646959 /nfs/dbraw/zinc/64/69/59/763646959.db2.gz FDZQYNHFIGELDC-MGPQQGTHSA-N 1 1 349.397 0.998 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)C1 ZINC001052036378 763648994 /nfs/dbraw/zinc/64/89/94/763648994.db2.gz NANQHOAQOZUNFI-ROUUACIJSA-N 1 1 347.507 0.706 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnn3CCOC)C2)CC1 ZINC001052040766 763664009 /nfs/dbraw/zinc/66/40/09/763664009.db2.gz JWYVJGQEEJIXPX-INIZCTEOSA-N 1 1 347.463 0.548 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C2)CC1 ZINC001052041238 763665299 /nfs/dbraw/zinc/66/52/99/763665299.db2.gz WQAADOBCEVQYRI-CQSZACIVSA-N 1 1 338.415 0.423 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3snnc3CC)C2)CC1 ZINC001052047284 763690344 /nfs/dbraw/zinc/69/03/44/763690344.db2.gz LBQDUZZKXSCGDI-AWEZNQCLSA-N 1 1 347.488 0.956 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccn(CCOC)n3)C2)CC1 ZINC001052049449 763701113 /nfs/dbraw/zinc/70/11/13/763701113.db2.gz LYZOPTCAPURNOA-INIZCTEOSA-N 1 1 347.463 0.548 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccon3)C2)CC1 ZINC001052052590 763717763 /nfs/dbraw/zinc/71/77/63/763717763.db2.gz QREPOUIQNMWNRC-QGZVFWFLSA-N 1 1 330.432 0.849 20 30 ECEDMO CC(C)n1ccc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052054922 763722396 /nfs/dbraw/zinc/72/23/96/763722396.db2.gz GPMDMTVWYQCHFS-KRWDZBQOSA-N 1 1 344.463 0.749 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCC(=O)NC1 ZINC001015041798 763732783 /nfs/dbraw/zinc/73/27/83/763732783.db2.gz GIYNIGFKDQGHLP-NVXWUHKLSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCC(=O)NC1 ZINC001015041798 763732787 /nfs/dbraw/zinc/73/27/87/763732787.db2.gz GIYNIGFKDQGHLP-NVXWUHKLSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCC(=O)NC1 ZINC001015041800 763732852 /nfs/dbraw/zinc/73/28/52/763732852.db2.gz GIYNIGFKDQGHLP-RDJZCZTQSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCC(=O)NC1 ZINC001015041800 763732854 /nfs/dbraw/zinc/73/28/54/763732854.db2.gz GIYNIGFKDQGHLP-RDJZCZTQSA-N 1 1 343.402 0.894 20 30 ECEDMO Cc1cc(C)c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c(=O)[nH]1 ZINC001052058859 763736062 /nfs/dbraw/zinc/73/60/62/763736062.db2.gz BCVWAXRYBHZHKW-OAHLLOKOSA-N 1 1 343.431 0.760 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3CCC)C2)C1=O ZINC001015052438 763758318 /nfs/dbraw/zinc/75/83/18/763758318.db2.gz LFBLQBIUMQAECT-BBRMVZONSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3CCC)C2)C1=O ZINC001015052438 763758321 /nfs/dbraw/zinc/75/83/21/763758321.db2.gz LFBLQBIUMQAECT-BBRMVZONSA-N 1 1 345.447 0.953 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3cc(F)ccc3C#N)C2)O1 ZINC001030515718 763761505 /nfs/dbraw/zinc/76/15/05/763761505.db2.gz HCTKKHDMEMPWIZ-SJKOYZFVSA-N 1 1 346.406 0.717 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3cc(F)ccc3C#N)C2)O1 ZINC001030515718 763761510 /nfs/dbraw/zinc/76/15/10/763761510.db2.gz HCTKKHDMEMPWIZ-SJKOYZFVSA-N 1 1 346.406 0.717 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N(C)C)C3)cn1 ZINC001047184556 763781028 /nfs/dbraw/zinc/78/10/28/763781028.db2.gz CYHGMGWFNFCXGX-XKQJLSEDSA-N 1 1 340.427 0.734 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001047234565 763824083 /nfs/dbraw/zinc/82/40/83/763824083.db2.gz YLCXASKFAQNSQU-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001047234565 763824091 /nfs/dbraw/zinc/82/40/91/763824091.db2.gz YLCXASKFAQNSQU-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCC(C)CC3)C2)CC1 ZINC001052094071 763839568 /nfs/dbraw/zinc/83/95/68/763839568.db2.gz WRPUWZNAJQJTNM-KRWDZBQOSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001052101556 763863861 /nfs/dbraw/zinc/86/38/61/763863861.db2.gz QSHFLPGLRSEDAS-LJQANCHMSA-N 1 1 346.519 0.960 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106344405 768171475 /nfs/dbraw/zinc/17/14/75/768171475.db2.gz MCBWWWJWTJPPHC-GXTWGEPZSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106344405 768171480 /nfs/dbraw/zinc/17/14/80/768171480.db2.gz MCBWWWJWTJPPHC-GXTWGEPZSA-N 1 1 332.408 0.376 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052106018 763878650 /nfs/dbraw/zinc/87/86/50/763878650.db2.gz ZFBIXLBHLWINCE-QGZVFWFLSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052106018 763878657 /nfs/dbraw/zinc/87/86/57/763878657.db2.gz ZFBIXLBHLWINCE-QGZVFWFLSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001017596797 768171912 /nfs/dbraw/zinc/17/19/12/768171912.db2.gz NKYWWVNXAYUFHD-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO CC#CCN1CCN([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107971 763888181 /nfs/dbraw/zinc/88/81/81/763888181.db2.gz JFNDZXBRYMEJSN-ROUUACIJSA-N 1 1 332.492 0.570 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCN3CCCC3=O)C2)CC1 ZINC001052116975 763924989 /nfs/dbraw/zinc/92/49/89/763924989.db2.gz CIMHPKXEULFFLE-QGZVFWFLSA-N 1 1 346.475 0.241 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(=O)n(C)c1=O ZINC001017599952 768176477 /nfs/dbraw/zinc/17/64/77/768176477.db2.gz CHSAZWNMSYYWLN-GASCZTMLSA-N 1 1 346.431 0.188 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)CC1 ZINC001052120080 763938014 /nfs/dbraw/zinc/93/80/14/763938014.db2.gz XUNXSMNZZUJZPW-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)CC1 ZINC001052120080 763938018 /nfs/dbraw/zinc/93/80/18/763938018.db2.gz XUNXSMNZZUJZPW-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO CN(C(=O)C[C@@H]1CCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047330715 764023811 /nfs/dbraw/zinc/02/38/11/764023811.db2.gz VCNUAAJEMMHWRB-BZSNNMDCSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)C[C@@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047330715 764023824 /nfs/dbraw/zinc/02/38/24/764023824.db2.gz VCNUAAJEMMHWRB-BZSNNMDCSA-N 1 1 343.427 0.988 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001052220251 764078499 /nfs/dbraw/zinc/07/84/99/764078499.db2.gz IFMQEIVRIQIMPP-CABCVRRESA-N 1 1 325.453 0.742 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001047353282 764087522 /nfs/dbraw/zinc/08/75/22/764087522.db2.gz GGYOTGFBKAQYQL-BPUTZDHNSA-N 1 1 332.404 0.573 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001077576367 764095180 /nfs/dbraw/zinc/09/51/80/764095180.db2.gz LFEMAFZPRJFCOU-KBRIMQKVSA-N 1 1 332.448 0.968 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047392556 764197225 /nfs/dbraw/zinc/19/72/25/764197225.db2.gz NQDBLPDXSJVDED-ULQDDVLXSA-N 1 1 349.475 0.715 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001047392679 764198410 /nfs/dbraw/zinc/19/84/10/764198410.db2.gz DYRKRTIJPLRIRZ-ULQDDVLXSA-N 1 1 328.412 0.907 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)c(NC(C)=O)c2)C1 ZINC001047393141 764199262 /nfs/dbraw/zinc/19/92/62/764199262.db2.gz XDMNVYLXAXDKCP-IRXDYDNUSA-N 1 1 329.400 0.704 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)c(NC(C)=O)c2)C1 ZINC001047393141 764199272 /nfs/dbraw/zinc/19/92/72/764199272.db2.gz XDMNVYLXAXDKCP-IRXDYDNUSA-N 1 1 329.400 0.704 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC)nc2C2CC2)C1 ZINC001047395796 764205369 /nfs/dbraw/zinc/20/53/69/764205369.db2.gz LMAGYRKZPFEDIU-HOTGVXAUSA-N 1 1 330.432 0.921 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC)nc2C2CC2)C1 ZINC001047395796 764205376 /nfs/dbraw/zinc/20/53/76/764205376.db2.gz LMAGYRKZPFEDIU-HOTGVXAUSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(CC)c(CC)n[nH]c2=O)C1 ZINC001047398426 764215756 /nfs/dbraw/zinc/21/57/56/764215756.db2.gz ODWATWRMOYZUPG-GJZGRUSLSA-N 1 1 346.431 0.447 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cn[nH]n1 ZINC001089868225 764238729 /nfs/dbraw/zinc/23/87/29/764238729.db2.gz OULVSYBKPNUGOU-ORQFMDKSSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]nn1 ZINC001089868225 764238736 /nfs/dbraw/zinc/23/87/36/764238736.db2.gz OULVSYBKPNUGOU-ORQFMDKSSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]nn1 ZINC001089868225 764238742 /nfs/dbraw/zinc/23/87/42/764238742.db2.gz OULVSYBKPNUGOU-ORQFMDKSSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn[nH]1 ZINC001089868225 764238745 /nfs/dbraw/zinc/23/87/45/764238745.db2.gz OULVSYBKPNUGOU-ORQFMDKSSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn[nH]1 ZINC001089868225 764238754 /nfs/dbraw/zinc/23/87/54/764238754.db2.gz OULVSYBKPNUGOU-ORQFMDKSSA-N 1 1 327.432 0.929 20 30 ECEDMO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047409117 764254212 /nfs/dbraw/zinc/25/42/12/764254212.db2.gz QOHHAPRJJUUNOS-IRXDYDNUSA-N 1 1 343.431 0.688 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001047412673 764264751 /nfs/dbraw/zinc/26/47/51/764264751.db2.gz FIVKYBVDWBAXEI-IRXDYDNUSA-N 1 1 343.427 0.803 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)c2cn(C)nn2)C1 ZINC000995268137 764266473 /nfs/dbraw/zinc/26/64/73/764266473.db2.gz RMKAVXHPLMPBPB-MRXNPFEDSA-N 1 1 338.415 0.808 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC001032047147 764294310 /nfs/dbraw/zinc/29/43/10/764294310.db2.gz BDJUFPUETSRUHD-XHSDSOJGSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001047427673 764312886 /nfs/dbraw/zinc/31/28/86/764312886.db2.gz AVDAZDURMSJJPH-HOTGVXAUSA-N 1 1 346.431 0.193 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001047436371 764339053 /nfs/dbraw/zinc/33/90/53/764339053.db2.gz YNOYALLDFCQNFL-SQNIBIBYSA-N 1 1 328.412 0.941 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001047436371 764339058 /nfs/dbraw/zinc/33/90/58/764339058.db2.gz YNOYALLDFCQNFL-SQNIBIBYSA-N 1 1 328.412 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052378274 764365472 /nfs/dbraw/zinc/36/54/72/764365472.db2.gz GLAJBVQTSCBJPJ-KBPBESRZSA-N 1 1 329.404 0.367 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 ZINC001052379707 764368269 /nfs/dbraw/zinc/36/82/69/764368269.db2.gz QOPGQXFZERQWIF-LLVKDONJSA-N 1 1 343.229 0.552 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 ZINC001052379707 764368272 /nfs/dbraw/zinc/36/82/72/764368272.db2.gz QOPGQXFZERQWIF-LLVKDONJSA-N 1 1 343.229 0.552 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001047448825 764378325 /nfs/dbraw/zinc/37/83/25/764378325.db2.gz XXACTXDEVLEEDC-ROUUACIJSA-N 1 1 343.427 0.463 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3nccc3C)[C@H]2C)C1=O ZINC001088891371 764382935 /nfs/dbraw/zinc/38/29/35/764382935.db2.gz QVTHQQNIYHNDPN-PMPSAXMXSA-N 1 1 345.447 0.557 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3nccc3C)[C@H]2C)C1=O ZINC001088891371 764382943 /nfs/dbraw/zinc/38/29/43/764382943.db2.gz QVTHQQNIYHNDPN-PMPSAXMXSA-N 1 1 345.447 0.557 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccccc3C2)C1 ZINC001047450218 764383287 /nfs/dbraw/zinc/38/32/87/764383287.db2.gz NLWXPGJHMAIMBS-IKGGRYGDSA-N 1 1 328.412 0.765 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)NC ZINC001099042704 764400125 /nfs/dbraw/zinc/40/01/25/764400125.db2.gz ABJLVPLSRBYVMP-CXAGYDPISA-N 1 1 325.453 0.666 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)NC ZINC001099042704 764400128 /nfs/dbraw/zinc/40/01/28/764400128.db2.gz ABJLVPLSRBYVMP-CXAGYDPISA-N 1 1 325.453 0.666 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001047458392 764405395 /nfs/dbraw/zinc/40/53/95/764405395.db2.gz MANBBNMQCGRLON-ZFWWWQNUSA-N 1 1 335.404 0.467 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001047458566 764407542 /nfs/dbraw/zinc/40/75/42/764407542.db2.gz UCQKQDHGTILCRZ-STQMWFEESA-N 1 1 326.347 0.498 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001047469913 764432392 /nfs/dbraw/zinc/43/23/92/764432392.db2.gz CEWJLANDHFSCIA-GJZGRUSLSA-N 1 1 328.372 0.810 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001047469913 764432395 /nfs/dbraw/zinc/43/23/95/764432395.db2.gz CEWJLANDHFSCIA-GJZGRUSLSA-N 1 1 328.372 0.810 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)ccnc2OCC)C1 ZINC001047470663 764435277 /nfs/dbraw/zinc/43/52/77/764435277.db2.gz UFIDZQPPPZVHDB-GJZGRUSLSA-N 1 1 331.416 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)ccnc2OCC)C1 ZINC001047470663 764435285 /nfs/dbraw/zinc/43/52/85/764435285.db2.gz UFIDZQPPPZVHDB-GJZGRUSLSA-N 1 1 331.416 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001047470497 764435389 /nfs/dbraw/zinc/43/53/89/764435389.db2.gz RQCNXOQSNIOIPU-GJZGRUSLSA-N 1 1 343.387 0.216 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001047470498 764435404 /nfs/dbraw/zinc/43/54/04/764435404.db2.gz RQJYNYYPWUKODP-HOTGVXAUSA-N 1 1 342.403 0.356 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001047471629 764438758 /nfs/dbraw/zinc/43/87/58/764438758.db2.gz RASRRSSSDSCJSC-IKGGRYGDSA-N 1 1 328.412 0.916 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001047471629 764438763 /nfs/dbraw/zinc/43/87/63/764438763.db2.gz RASRRSSSDSCJSC-IKGGRYGDSA-N 1 1 328.412 0.916 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001047479106 764464147 /nfs/dbraw/zinc/46/41/47/764464147.db2.gz AAQLAVNKIXKQCZ-STQMWFEESA-N 1 1 334.420 0.917 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CNC(=O)C1 ZINC001015376102 764473613 /nfs/dbraw/zinc/47/36/13/764473613.db2.gz LWJZEROCPZOWLO-MEDUHNTESA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CNC(=O)C1 ZINC001015376102 764473619 /nfs/dbraw/zinc/47/36/19/764473619.db2.gz LWJZEROCPZOWLO-MEDUHNTESA-N 1 1 332.429 0.836 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(=O)c3ccccc23)C1 ZINC001047481780 764475435 /nfs/dbraw/zinc/47/54/35/764475435.db2.gz HXVAKTNCPLIRRR-IRXDYDNUSA-N 1 1 340.379 0.933 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(=O)c3ccccc23)C1 ZINC001047481780 764475441 /nfs/dbraw/zinc/47/54/41/764475441.db2.gz HXVAKTNCPLIRRR-IRXDYDNUSA-N 1 1 340.379 0.933 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]2O)C1 ZINC001083780717 764547111 /nfs/dbraw/zinc/54/71/11/764547111.db2.gz HXHGSQVMJZCGNO-QGTPRVQTSA-N 1 1 342.443 0.561 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c[nH]nc3C3CC3)C2)C1=O ZINC001032097926 764549999 /nfs/dbraw/zinc/54/99/99/764549999.db2.gz QPBZLYDSYGUQAZ-OAHLLOKOSA-N 1 1 343.431 0.736 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089874697 764593859 /nfs/dbraw/zinc/59/38/59/764593859.db2.gz IRLQNUKSCAPRDV-UKMLZYKCSA-N 1 1 343.427 0.231 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nnc3c2CCCC3)C1 ZINC001047529133 764608025 /nfs/dbraw/zinc/60/80/25/764608025.db2.gz SAKDSSRAWDGVHV-HOTGVXAUSA-N 1 1 333.436 0.237 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001047535489 764622333 /nfs/dbraw/zinc/62/23/33/764622333.db2.gz BUMSEGYIYJCNGH-GJZGRUSLSA-N 1 1 332.404 0.182 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)[C@H]1C ZINC001088964359 764640460 /nfs/dbraw/zinc/64/04/60/764640460.db2.gz XLXILLQXXUWRGZ-KFWWJZLASA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)[C@H]1C ZINC001088964359 764640463 /nfs/dbraw/zinc/64/04/63/764640463.db2.gz XLXILLQXXUWRGZ-KFWWJZLASA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@H]1C ZINC001088964469 764640994 /nfs/dbraw/zinc/64/09/94/764640994.db2.gz CODCBICHHZVUNA-HIFRSBDPSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001047553127 764673782 /nfs/dbraw/zinc/67/37/82/764673782.db2.gz OQJDOSNWIMLXGV-IRXDYDNUSA-N 1 1 345.443 0.645 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](CC)OC)C[C@@H]2O)nn1 ZINC001047554442 764681035 /nfs/dbraw/zinc/68/10/35/764681035.db2.gz VUDXBPVBGMRNEO-SNPRPXQTSA-N 1 1 337.424 0.006 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001089884782 764686237 /nfs/dbraw/zinc/68/62/37/764686237.db2.gz WLWBEMHZWOEXLY-GUSZCTEKSA-N 1 1 340.427 0.919 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001047556963 764686814 /nfs/dbraw/zinc/68/68/14/764686814.db2.gz XSGQYPIYOXZMHA-JYJNAYRXSA-N 1 1 335.448 0.467 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001089884917 764687987 /nfs/dbraw/zinc/68/79/87/764687987.db2.gz WTAXFWYRRQBSPE-ZIEJDFEHSA-N 1 1 326.400 0.529 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccccc2COC)C1 ZINC001047560191 764694037 /nfs/dbraw/zinc/69/40/37/764694037.db2.gz BRHPVCXWCSXZFX-ROUUACIJSA-N 1 1 330.428 0.902 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccccc2COC)C1 ZINC001047560191 764694048 /nfs/dbraw/zinc/69/40/48/764694048.db2.gz BRHPVCXWCSXZFX-ROUUACIJSA-N 1 1 330.428 0.902 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001052528432 764697419 /nfs/dbraw/zinc/69/74/19/764697419.db2.gz DUXFNJGKNXPZJJ-DLBZAZTESA-N 1 1 349.475 0.579 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]ncc2Br)C1 ZINC001047567694 764713252 /nfs/dbraw/zinc/71/32/52/764713252.db2.gz SXTYOSIIIVWIMK-QWRGUYRKSA-N 1 1 341.209 0.313 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]ncc2Br)C1 ZINC001047567694 764713257 /nfs/dbraw/zinc/71/32/57/764713257.db2.gz SXTYOSIIIVWIMK-QWRGUYRKSA-N 1 1 341.209 0.313 20 30 ECEDMO CN(C(=O)c1cccnn1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047572705 764734362 /nfs/dbraw/zinc/73/43/62/764734362.db2.gz CKGXKUIHLBHFAR-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)c1cccnn1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047572705 764734366 /nfs/dbraw/zinc/73/43/66/764734366.db2.gz CKGXKUIHLBHFAR-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)cc1 ZINC001015479260 764739122 /nfs/dbraw/zinc/73/91/22/764739122.db2.gz ADMJYEYBCVRWOB-MRXNPFEDSA-N 1 1 326.400 0.497 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC001015481064 764744648 /nfs/dbraw/zinc/74/46/48/764744648.db2.gz CDYLCBDBJHJDJY-DOTOQJQBSA-N 1 1 346.452 0.907 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC001015481064 764744653 /nfs/dbraw/zinc/74/46/53/764744653.db2.gz CDYLCBDBJHJDJY-DOTOQJQBSA-N 1 1 346.452 0.907 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001047586514 764786197 /nfs/dbraw/zinc/78/61/97/764786197.db2.gz XWSHRSUPPVVYSH-COXVUDFISA-N 1 1 326.400 0.734 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001047586514 764786205 /nfs/dbraw/zinc/78/62/05/764786205.db2.gz XWSHRSUPPVVYSH-COXVUDFISA-N 1 1 326.400 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC001032137591 764790086 /nfs/dbraw/zinc/79/00/86/764790086.db2.gz UHYANTHGKXSKBV-INIZCTEOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001047594266 764815356 /nfs/dbraw/zinc/81/53/56/764815356.db2.gz UFEJOLGJFIFMMC-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001047594409 764817133 /nfs/dbraw/zinc/81/71/33/764817133.db2.gz ZVJKVIKRPAWCAO-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001047594409 764817141 /nfs/dbraw/zinc/81/71/41/764817141.db2.gz ZVJKVIKRPAWCAO-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC001052593933 764817284 /nfs/dbraw/zinc/81/72/84/764817284.db2.gz HTXGVKAKUXCESO-CABCVRRESA-N 1 1 343.418 0.946 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1C#N ZINC001015504914 764820343 /nfs/dbraw/zinc/82/03/43/764820343.db2.gz RRZKPXWGZJTZOA-LSDHHAIUSA-N 1 1 342.399 0.393 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1C#N ZINC001015504914 764820352 /nfs/dbraw/zinc/82/03/52/764820352.db2.gz RRZKPXWGZJTZOA-LSDHHAIUSA-N 1 1 342.399 0.393 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001047597567 764827971 /nfs/dbraw/zinc/82/79/71/764827971.db2.gz UYTWNMJRXQHRIP-STQMWFEESA-N 1 1 331.376 0.128 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001052599847 764829956 /nfs/dbraw/zinc/82/99/56/764829956.db2.gz PWHNQUYFDMSKJD-HOTGVXAUSA-N 1 1 337.464 0.579 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)cc[nH]c2=O)C1 ZINC001047598516 764833810 /nfs/dbraw/zinc/83/38/10/764833810.db2.gz MPBPPEWUSICGJI-STQMWFEESA-N 1 1 335.404 0.879 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)cn1 ZINC001047599567 764838423 /nfs/dbraw/zinc/83/84/23/764838423.db2.gz ZTSJBOAUERRLQL-WBAXXEDZSA-N 1 1 343.427 0.607 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2Cc3ccccc3C2=O)C1 ZINC001047602052 764847282 /nfs/dbraw/zinc/84/72/82/764847282.db2.gz XFKIVYNPWBFGIK-IRXDYDNUSA-N 1 1 343.427 0.722 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCNC(=O)C2)CC1 ZINC001052621415 764868784 /nfs/dbraw/zinc/86/87/84/764868784.db2.gz AUXUHJPYLKXGHL-ZDUSSCGKSA-N 1 1 328.844 0.141 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)cc(OC)c2)C1 ZINC001047610326 764874117 /nfs/dbraw/zinc/87/41/17/764874117.db2.gz XPVGJSBBABCQRF-IRXDYDNUSA-N 1 1 332.400 0.844 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)cc(OC)c2)C1 ZINC001047610326 764874119 /nfs/dbraw/zinc/87/41/19/764874119.db2.gz XPVGJSBBABCQRF-IRXDYDNUSA-N 1 1 332.400 0.844 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)NC)n2)C1 ZINC001047613632 764883010 /nfs/dbraw/zinc/88/30/10/764883010.db2.gz APAYBAKMJSUGOH-HOTGVXAUSA-N 1 1 346.431 0.525 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)c(OC)c2)C1 ZINC001047614726 764886709 /nfs/dbraw/zinc/88/67/09/764886709.db2.gz YAPAUTRJCTWKCC-GJZGRUSLSA-N 1 1 332.400 0.844 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001047623068 764908272 /nfs/dbraw/zinc/90/82/72/764908272.db2.gz FJFRDYWFUSDIQF-HOTGVXAUSA-N 1 1 342.403 0.356 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c3c2CCCCC3)C1 ZINC001047624243 764912107 /nfs/dbraw/zinc/91/21/07/764912107.db2.gz FGMSGXAFHFKDEW-HOTGVXAUSA-N 1 1 330.432 0.819 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cn(C)nn3)CC2)c1 ZINC001052694957 764998369 /nfs/dbraw/zinc/99/83/69/764998369.db2.gz CWJLIYYIDXGOSF-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3cn(C)nn3)CC2)c1 ZINC001052694957 764998375 /nfs/dbraw/zinc/99/83/75/764998375.db2.gz CWJLIYYIDXGOSF-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@@H]12 ZINC000991976132 765029344 /nfs/dbraw/zinc/02/93/44/765029344.db2.gz QOUVDPZFJSZBMX-HDMKZQKVSA-N 1 1 341.415 0.502 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001099102450 765057883 /nfs/dbraw/zinc/05/78/83/765057883.db2.gz MFZAOYXTQIDKMD-ZDUSSCGKSA-N 1 1 331.482 0.719 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000991988136 765073340 /nfs/dbraw/zinc/07/33/40/765073340.db2.gz OGPVDSMXPZTOAM-RDJZCZTQSA-N 1 1 346.431 0.890 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000991989476 765079951 /nfs/dbraw/zinc/07/99/51/765079951.db2.gz CILFCZBUWDDTGJ-PIMMBPRGSA-N 1 1 346.435 0.183 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1c[nH]c(=O)cn1 ZINC001015625996 765096746 /nfs/dbraw/zinc/09/67/46/765096746.db2.gz FRCYOSUYOYCUJF-HNNXBMFYSA-N 1 1 340.358 0.765 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1c[nH]c(=O)cn1 ZINC001015625996 765096754 /nfs/dbraw/zinc/09/67/54/765096754.db2.gz FRCYOSUYOYCUJF-HNNXBMFYSA-N 1 1 340.358 0.765 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3nonc3C)CC2)nn1 ZINC001052774926 765097666 /nfs/dbraw/zinc/09/76/66/765097666.db2.gz ODTCQOLDPHJNIM-ZDUSSCGKSA-N 1 1 345.407 0.940 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3nonc3C)CC2)nn1 ZINC001052774926 765097678 /nfs/dbraw/zinc/09/76/78/765097678.db2.gz ODTCQOLDPHJNIM-ZDUSSCGKSA-N 1 1 345.407 0.940 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)CC2)nn1 ZINC001052775468 765099715 /nfs/dbraw/zinc/09/97/15/765099715.db2.gz UKFGXKUSFODXIU-ZDUSSCGKSA-N 1 1 346.435 0.327 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001014980505 765111318 /nfs/dbraw/zinc/11/13/18/765111318.db2.gz UMWPGTVELPVZEU-GFCCVEGCSA-N 1 1 327.406 0.697 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001052783747 765114313 /nfs/dbraw/zinc/11/43/13/765114313.db2.gz ITNAMOGYEAEWDF-JZLYGMAVSA-N 1 1 334.420 0.521 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001052784150 765115886 /nfs/dbraw/zinc/11/58/86/765115886.db2.gz XBTDZBRLHWHSSA-HOTGVXAUSA-N 1 1 337.464 0.577 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccn(C)c3C)C2)C1=O ZINC001015669593 765145213 /nfs/dbraw/zinc/14/52/13/765145213.db2.gz DZCKTGPDNIKSML-ZBFHGGJFSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccn(C)c3C)C2)C1=O ZINC001015669593 765145216 /nfs/dbraw/zinc/14/52/16/765145216.db2.gz DZCKTGPDNIKSML-ZBFHGGJFSA-N 1 1 330.432 0.925 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c1 ZINC001015678763 765149830 /nfs/dbraw/zinc/14/98/30/765149830.db2.gz NAEZQFZBNZUHRT-WBVHZDCISA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001015679649 765151148 /nfs/dbraw/zinc/15/11/48/765151148.db2.gz ITZBVQWEJIQSCF-WBMJQRKESA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001015679649 765151155 /nfs/dbraw/zinc/15/11/55/765151155.db2.gz ITZBVQWEJIQSCF-WBMJQRKESA-N 1 1 326.400 0.534 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)[nH]1 ZINC000992013631 765158806 /nfs/dbraw/zinc/15/88/06/765158806.db2.gz WUCCDPZZCKEWII-GOEBONIOSA-N 1 1 341.415 0.844 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CCNC1=O ZINC001015696111 765179393 /nfs/dbraw/zinc/17/93/93/765179393.db2.gz VEXYNUQPWCYGOR-MAUKXSAKSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cn(C)cn2)C1 ZINC000992022855 765189908 /nfs/dbraw/zinc/18/99/08/765189908.db2.gz SZEKCOVCVVQVIU-XUJLQICISA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cn(C)cn2)C1 ZINC000992022855 765189910 /nfs/dbraw/zinc/18/99/10/765189910.db2.gz SZEKCOVCVVQVIU-XUJLQICISA-N 1 1 343.431 0.142 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001052840900 765210674 /nfs/dbraw/zinc/21/06/74/765210674.db2.gz IXPZHKMIQDBVKA-ZBFHGGJFSA-N 1 1 348.447 0.995 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC001052849171 765222839 /nfs/dbraw/zinc/22/28/39/765222839.db2.gz NQSGQSJRNQCQDB-OAHLLOKOSA-N 1 1 347.463 0.928 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001015718832 765232266 /nfs/dbraw/zinc/23/22/66/765232266.db2.gz ZQUFNHPXVALSCX-HUUCEWRRSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001015718832 765232272 /nfs/dbraw/zinc/23/22/72/765232272.db2.gz ZQUFNHPXVALSCX-HUUCEWRRSA-N 1 1 331.420 0.169 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000992039163 765247196 /nfs/dbraw/zinc/24/71/96/765247196.db2.gz VWEKDVDOWIEVJL-PXCJXSSVSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)C1=O ZINC001015745424 765262978 /nfs/dbraw/zinc/26/29/78/765262978.db2.gz YJRUYELSSJYYFN-CZUORRHYSA-N 1 1 343.431 0.878 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)C1=O ZINC001015745424 765262986 /nfs/dbraw/zinc/26/29/86/765262986.db2.gz YJRUYELSSJYYFN-CZUORRHYSA-N 1 1 343.431 0.878 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2-n2cccn2)C1 ZINC001077488779 765272770 /nfs/dbraw/zinc/27/27/70/765272770.db2.gz HXZAYKONBWHDAC-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)nc1 ZINC001052874456 765274680 /nfs/dbraw/zinc/27/46/80/765274680.db2.gz HEWUGEXBPULTNC-MRXNPFEDSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)nc1 ZINC001052875098 765275528 /nfs/dbraw/zinc/27/55/28/765275528.db2.gz LPXGOEURFCYWBU-WBVHZDCISA-N 1 1 340.427 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)cn1 ZINC001052879394 765288074 /nfs/dbraw/zinc/28/80/74/765288074.db2.gz VYGPCJVUHAYLFR-XJKSGUPXSA-N 1 1 328.416 0.782 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(CC)nc3C)C2)C1=O ZINC001015772666 765292457 /nfs/dbraw/zinc/29/24/57/765292457.db2.gz MJQXQWLVPDQPOC-HOCLYGCPSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(CC)nc3C)C2)C1=O ZINC001015772666 765292462 /nfs/dbraw/zinc/29/24/62/765292462.db2.gz MJQXQWLVPDQPOC-HOCLYGCPSA-N 1 1 345.447 0.802 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H](CC)C(N)=O)C2)cc1 ZINC001015808708 765365383 /nfs/dbraw/zinc/36/53/83/765365383.db2.gz CBEBSKKJZJANNC-GOEBONIOSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](CC)C(N)=O)C2)cc1 ZINC001015808708 765365385 /nfs/dbraw/zinc/36/53/85/765365385.db2.gz CBEBSKKJZJANNC-GOEBONIOSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)cc1 ZINC001015808944 765366194 /nfs/dbraw/zinc/36/61/94/765366194.db2.gz HJDKZDRKZOEXMM-DOTOQJQBSA-N 1 1 341.411 0.733 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)cc1 ZINC001015808944 765366203 /nfs/dbraw/zinc/36/62/03/765366203.db2.gz HJDKZDRKZOEXMM-DOTOQJQBSA-N 1 1 341.411 0.733 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015815889 765378363 /nfs/dbraw/zinc/37/83/63/765378363.db2.gz DNQGBOLTEYIOIB-ZOBUZTSGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015815889 765378367 /nfs/dbraw/zinc/37/83/67/765378367.db2.gz DNQGBOLTEYIOIB-ZOBUZTSGSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001052988016 765465129 /nfs/dbraw/zinc/46/51/29/765465129.db2.gz RAILSRGARKLGDJ-CJNGLKHVSA-N 1 1 328.416 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001053025490 765498736 /nfs/dbraw/zinc/49/87/36/765498736.db2.gz BZHBSZRMNJEXBK-GJZGRUSLSA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001053025490 765498743 /nfs/dbraw/zinc/49/87/43/765498743.db2.gz BZHBSZRMNJEXBK-GJZGRUSLSA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC001053051496 765529361 /nfs/dbraw/zinc/52/93/61/765529361.db2.gz NFSNZDVVULCZAV-HZPDHXFCSA-N 1 1 342.443 0.978 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001053103000 765580650 /nfs/dbraw/zinc/58/06/50/765580650.db2.gz YSPWHTGCJLWYRW-GJZGRUSLSA-N 1 1 348.447 0.817 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)c1 ZINC000992142068 765636516 /nfs/dbraw/zinc/63/65/16/765636516.db2.gz JRVMQEMKZLPAGB-YOEHRIQHSA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)c1 ZINC000992142068 765636517 /nfs/dbraw/zinc/63/65/17/765636517.db2.gz JRVMQEMKZLPAGB-YOEHRIQHSA-N 1 1 330.363 0.796 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001015968634 765637239 /nfs/dbraw/zinc/63/72/39/765637239.db2.gz FERITVIDUWKKSI-KBPBESRZSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001015968634 765637244 /nfs/dbraw/zinc/63/72/44/765637244.db2.gz FERITVIDUWKKSI-KBPBESRZSA-N 1 1 344.415 0.729 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993170095 768309583 /nfs/dbraw/zinc/30/95/83/768309583.db2.gz MRBTVXKNOYQNFD-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993170095 768309591 /nfs/dbraw/zinc/30/95/91/768309591.db2.gz MRBTVXKNOYQNFD-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992162351 765720781 /nfs/dbraw/zinc/72/07/81/765720781.db2.gz RTAWWWBVSQDGEH-MAUKXSAKSA-N 1 1 342.399 0.665 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992162351 765720786 /nfs/dbraw/zinc/72/07/86/765720786.db2.gz RTAWWWBVSQDGEH-MAUKXSAKSA-N 1 1 342.399 0.665 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001016014061 765721100 /nfs/dbraw/zinc/72/11/00/765721100.db2.gz SSNDICOLBVDFJJ-DZGCQCFKSA-N 1 1 342.399 0.176 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001016014061 765721106 /nfs/dbraw/zinc/72/11/06/765721106.db2.gz SSNDICOLBVDFJJ-DZGCQCFKSA-N 1 1 342.399 0.176 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C2)nc1 ZINC001016026053 765729896 /nfs/dbraw/zinc/72/98/96/765729896.db2.gz CLPVNIIWDYLZDC-RDJZCZTQSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C2)nc1 ZINC001016026053 765729899 /nfs/dbraw/zinc/72/98/99/765729899.db2.gz CLPVNIIWDYLZDC-RDJZCZTQSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C2)nc1 ZINC001016026051 765730110 /nfs/dbraw/zinc/73/01/10/765730110.db2.gz CLPVNIIWDYLZDC-DOTOQJQBSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C2)nc1 ZINC001016026051 765730113 /nfs/dbraw/zinc/73/01/13/765730113.db2.gz CLPVNIIWDYLZDC-DOTOQJQBSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001016026991 765730309 /nfs/dbraw/zinc/73/03/09/765730309.db2.gz KRZOOMODZOGKJV-DOMZBBRYSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001016026991 765730314 /nfs/dbraw/zinc/73/03/14/765730314.db2.gz KRZOOMODZOGKJV-DOMZBBRYSA-N 1 1 326.400 0.534 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc1 ZINC001016027155 765731015 /nfs/dbraw/zinc/73/10/15/765731015.db2.gz NIJGXXQPFNKCSQ-ZBFHGGJFSA-N 1 1 342.399 0.558 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)[C@@H](O)C1 ZINC001083729596 768317004 /nfs/dbraw/zinc/31/70/04/768317004.db2.gz JAMZYDNWPNDSCM-XQQFMLRXSA-N 1 1 335.370 0.608 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001016109790 765793673 /nfs/dbraw/zinc/79/36/73/765793673.db2.gz DRRLBGXPRMZZCN-HZPDHXFCSA-N 1 1 339.395 0.206 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001016109790 765793678 /nfs/dbraw/zinc/79/36/78/765793678.db2.gz DRRLBGXPRMZZCN-HZPDHXFCSA-N 1 1 339.395 0.206 20 30 ECEDMO N#Cc1cc(C(=O)N2CCOC3(C[NH+](C[C@H]4CCCOC4)C3)C2)c[nH]1 ZINC001053226885 765793655 /nfs/dbraw/zinc/79/36/55/765793655.db2.gz AMQPKCLCNPTYGL-CQSZACIVSA-N 1 1 344.415 0.840 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001016115611 765800965 /nfs/dbraw/zinc/80/09/65/765800965.db2.gz ZJFUWMKQPKBRJR-SJORKVTESA-N 1 1 325.412 0.680 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001016115611 765800972 /nfs/dbraw/zinc/80/09/72/765800972.db2.gz ZJFUWMKQPKBRJR-SJORKVTESA-N 1 1 325.412 0.680 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)C(C)(F)F)C1 ZINC001016174577 765868250 /nfs/dbraw/zinc/86/82/50/765868250.db2.gz CDXLACSNAREWHG-BPCQOVAHSA-N 1 1 327.375 0.845 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)C(C)(F)F)C1 ZINC001016174577 765868256 /nfs/dbraw/zinc/86/82/56/765868256.db2.gz CDXLACSNAREWHG-BPCQOVAHSA-N 1 1 327.375 0.845 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)C2)ccc1F ZINC001016184570 765880518 /nfs/dbraw/zinc/88/05/18/765880518.db2.gz LPJMKNQNUKCTPZ-AWEZNQCLSA-N 1 1 328.351 0.680 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cncn3)C2)ccc1F ZINC001016184570 765880521 /nfs/dbraw/zinc/88/05/21/765880521.db2.gz LPJMKNQNUKCTPZ-AWEZNQCLSA-N 1 1 328.351 0.680 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cnc(C)[nH]2)C1 ZINC000992205221 765885613 /nfs/dbraw/zinc/88/56/13/765885613.db2.gz DTKLRNBYCCQRCB-XUJLQICISA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cnc(C)[nH]2)C1 ZINC000992205221 765885615 /nfs/dbraw/zinc/88/56/15/765885615.db2.gz DTKLRNBYCCQRCB-XUJLQICISA-N 1 1 343.431 0.440 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CCO2 ZINC001053285074 765904315 /nfs/dbraw/zinc/90/43/15/765904315.db2.gz KBBHHXBTBWWOII-KRWDZBQOSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccccn2)C1 ZINC000992208993 765908804 /nfs/dbraw/zinc/90/88/04/765908804.db2.gz SSNWXCCHUZAPNU-DQPZFDDXSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccccn2)C1 ZINC000992208993 765908808 /nfs/dbraw/zinc/90/88/08/765908808.db2.gz SSNWXCCHUZAPNU-DQPZFDDXSA-N 1 1 340.427 0.804 20 30 ECEDMO N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CCO2 ZINC001053287011 765909036 /nfs/dbraw/zinc/90/90/36/765909036.db2.gz ILAHMMAYKFJCRK-INIZCTEOSA-N 1 1 348.447 0.067 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C2)cc1 ZINC001016209826 765910697 /nfs/dbraw/zinc/91/06/97/765910697.db2.gz VAQDGCKCECLKQM-OAHLLOKOSA-N 1 1 340.383 0.398 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000992209434 765911370 /nfs/dbraw/zinc/91/13/70/765911370.db2.gz XMXJNVCCHBJZBZ-BACDZXNISA-N 1 1 346.475 0.189 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCN(C)C(=O)C1)CCO2 ZINC001053314112 765953954 /nfs/dbraw/zinc/95/39/54/765953954.db2.gz MHDMRGATCJZBPH-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3c(C)n[nH]c3C)C2)C1=O ZINC001016239711 765960330 /nfs/dbraw/zinc/96/03/30/765960330.db2.gz VKZBRBRPMJOXTI-GOEBONIOSA-N 1 1 345.447 0.546 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3c(C)n[nH]c3C)C2)C1=O ZINC001016239711 765960340 /nfs/dbraw/zinc/96/03/40/765960340.db2.gz VKZBRBRPMJOXTI-GOEBONIOSA-N 1 1 345.447 0.546 20 30 ECEDMO CCN1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306520 766084278 /nfs/dbraw/zinc/08/42/78/766084278.db2.gz PPSFOMKNIBCOQH-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO CCN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306520 766084285 /nfs/dbraw/zinc/08/42/85/766084285.db2.gz PPSFOMKNIBCOQH-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)cc1 ZINC000992294180 766175317 /nfs/dbraw/zinc/17/53/17/766175317.db2.gz QLLMTLWBDFQYCZ-APWZRJJASA-N 1 1 341.411 0.911 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)cc1 ZINC000992294180 766175321 /nfs/dbraw/zinc/17/53/21/766175321.db2.gz QLLMTLWBDFQYCZ-APWZRJJASA-N 1 1 341.411 0.911 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n(C)c1=O ZINC001016354913 766175774 /nfs/dbraw/zinc/17/57/74/766175774.db2.gz RNUCKIBLODAOHJ-OAHLLOKOSA-N 1 1 339.399 0.600 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCN(C)S3(=O)=O)CCC[C@H]12 ZINC000992305615 766220866 /nfs/dbraw/zinc/22/08/66/766220866.db2.gz DESXNSBXLBLMNH-OFQRWUPVSA-N 1 1 339.461 0.157 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3nnnc3C(C)C)CCC[C@H]12 ZINC000992307360 766226832 /nfs/dbraw/zinc/22/68/32/766226832.db2.gz RMTXNBIRYYUQIQ-WMLDXEAASA-N 1 1 330.436 0.933 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)s1 ZINC001016411364 766249871 /nfs/dbraw/zinc/24/98/71/766249871.db2.gz OFQVGVVEFQMRPW-FZMZJTMJSA-N 1 1 347.444 0.853 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)s1 ZINC001016411364 766249877 /nfs/dbraw/zinc/24/98/77/766249877.db2.gz OFQVGVVEFQMRPW-FZMZJTMJSA-N 1 1 347.444 0.853 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 ZINC000992324646 766276100 /nfs/dbraw/zinc/27/61/00/766276100.db2.gz CAKUOOGALSHOJE-XHDPSFHLSA-N 1 1 340.811 0.404 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 ZINC000992324646 766276103 /nfs/dbraw/zinc/27/61/03/766276103.db2.gz CAKUOOGALSHOJE-XHDPSFHLSA-N 1 1 340.811 0.404 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccc(C(N)=O)nc1)CCO2 ZINC001053550133 766318448 /nfs/dbraw/zinc/31/84/48/766318448.db2.gz MDJFLADHENJISC-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045768867 766346007 /nfs/dbraw/zinc/34/60/07/766346007.db2.gz SWUXRAXIPGHJST-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@H]12 ZINC000992348825 766347076 /nfs/dbraw/zinc/34/70/76/766347076.db2.gz XOJZSMBWSSBSLD-YZLKVCFQSA-N 1 1 332.404 0.274 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001045773101 766351603 /nfs/dbraw/zinc/35/16/03/766351603.db2.gz WGKQUAJRYFCFTQ-ZBFHGGJFSA-N 1 1 349.475 0.620 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@H]12 ZINC000992351821 766352309 /nfs/dbraw/zinc/35/23/09/766352309.db2.gz NPLTVSGATSNJHF-LPHOPBHVSA-N 1 1 342.443 0.997 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)cc1 ZINC001083691308 766361232 /nfs/dbraw/zinc/36/12/32/766361232.db2.gz IYMHIPKEBQVDFJ-MSOLQXFVSA-N 1 1 338.411 0.419 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045785493 766369095 /nfs/dbraw/zinc/36/90/95/766369095.db2.gz QAHUXMJTHYLWLG-AWEZNQCLSA-N 1 1 335.448 0.374 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251084 766422864 /nfs/dbraw/zinc/42/28/64/766422864.db2.gz PHEMSRRHIZDDAG-BRWVUGGUSA-N 1 1 336.432 0.411 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251084 766422869 /nfs/dbraw/zinc/42/28/69/766422869.db2.gz PHEMSRRHIZDDAG-BRWVUGGUSA-N 1 1 336.432 0.411 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn3ccncc13)O2 ZINC001053609600 766426419 /nfs/dbraw/zinc/42/64/19/766426419.db2.gz CDDZAMMGEIRVSK-AWEZNQCLSA-N 1 1 339.399 0.716 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3n1CCC3)O2 ZINC001053609791 766428104 /nfs/dbraw/zinc/42/81/04/766428104.db2.gz DXZCKZXAHJQTHS-CQSZACIVSA-N 1 1 328.416 0.816 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1COCCN1CC)O2 ZINC001053620675 766455318 /nfs/dbraw/zinc/45/53/18/766455318.db2.gz SGWIQVKFABRFOK-JKSUJKDBSA-N 1 1 335.448 0.080 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1COCCN1CC)O2 ZINC001053620674 766455512 /nfs/dbraw/zinc/45/55/12/766455512.db2.gz SGWIQVKFABRFOK-HZPDHXFCSA-N 1 1 335.448 0.080 20 30 ECEDMO C=CCN1CC[C@H](N2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001031684660 766457086 /nfs/dbraw/zinc/45/70/86/766457086.db2.gz XKCNONNWXHYYQG-BBWFWOEESA-N 1 1 348.491 0.552 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 ZINC001053621379 766458327 /nfs/dbraw/zinc/45/83/27/766458327.db2.gz DZXLRMXTECSSBE-HZPDHXFCSA-N 1 1 334.464 0.980 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992401844 766487899 /nfs/dbraw/zinc/48/78/99/766487899.db2.gz YKANKCCZCNJAJI-CXAGYDPISA-N 1 1 332.404 0.017 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@H]12 ZINC000992401857 766488285 /nfs/dbraw/zinc/48/82/85/766488285.db2.gz YKANKCCZCNJAJI-SUMWQHHRSA-N 1 1 332.404 0.017 20 30 ECEDMO C=CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)O2 ZINC001053638993 766494640 /nfs/dbraw/zinc/49/46/40/766494640.db2.gz FTUWOQHKSMVHSZ-NDUQDZPOSA-N 1 1 347.459 0.385 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)O2 ZINC001053638903 766494886 /nfs/dbraw/zinc/49/48/86/766494886.db2.gz ZRAVKQAJHLCRGM-LSDHHAIUSA-N 1 1 333.432 0.276 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253563 766495774 /nfs/dbraw/zinc/49/57/74/766495774.db2.gz GRFCUJMSRJSAIE-HZPDHXFCSA-N 1 1 345.443 0.750 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)c(C)n[nH]c1=O)O2 ZINC001053640945 766498588 /nfs/dbraw/zinc/49/85/88/766498588.db2.gz HSIDNCIBKHGKEZ-AWEZNQCLSA-N 1 1 344.415 0.786 20 30 ECEDMO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649673 766512129 /nfs/dbraw/zinc/51/21/29/766512129.db2.gz SMHYWVRGXFNJDM-HOTGVXAUSA-N 1 1 335.448 0.078 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001045947430 766518764 /nfs/dbraw/zinc/51/87/64/766518764.db2.gz FJPKKQMPOFLMSO-SFHVURJKSA-N 1 1 347.463 0.863 20 30 ECEDMO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)O2 ZINC001053658310 766527423 /nfs/dbraw/zinc/52/74/23/766527423.db2.gz WRPRWSGEMSXOBC-NVXWUHKLSA-N 1 1 342.443 0.737 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001045968896 766538323 /nfs/dbraw/zinc/53/83/23/766538323.db2.gz JBXJAEXSIXNHCM-KBXCAEBGSA-N 1 1 348.447 0.865 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1OC ZINC001212255009 766543091 /nfs/dbraw/zinc/54/30/91/766543091.db2.gz ALIKOYALDPTLHY-DJIMGWMZSA-N 1 1 331.416 0.744 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1OC ZINC001212255009 766543094 /nfs/dbraw/zinc/54/30/94/766543094.db2.gz ALIKOYALDPTLHY-DJIMGWMZSA-N 1 1 331.416 0.744 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212255059 766545518 /nfs/dbraw/zinc/54/55/18/766545518.db2.gz BVSUHYSRMVPKAM-HZPDHXFCSA-N 1 1 332.448 0.828 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC(=O)N(CCC)C1)O2 ZINC001053671012 766551187 /nfs/dbraw/zinc/55/11/87/766551187.db2.gz ZNEQEHUCTKXJJP-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@H]12 ZINC000992432246 766555789 /nfs/dbraw/zinc/55/57/89/766555789.db2.gz PZBQYEZIMOBLOR-LRDDRELGSA-N 1 1 328.376 0.330 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC3(C[NH+](C[C@H](C)OC)C3)O2)nn1 ZINC001053676807 766560437 /nfs/dbraw/zinc/56/04/37/766560437.db2.gz KBIJZAGFJOCJNA-UONOGXRCSA-N 1 1 349.435 0.462 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC001046000252 766600094 /nfs/dbraw/zinc/60/00/94/766600094.db2.gz OGCOXJVFBJIRKT-CQSZACIVSA-N 1 1 331.420 0.590 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001046003896 766609278 /nfs/dbraw/zinc/60/92/78/766609278.db2.gz AOISPUAZEWPHSU-OAHLLOKOSA-N 1 1 337.855 0.854 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001046003896 766609286 /nfs/dbraw/zinc/60/92/86/766609286.db2.gz AOISPUAZEWPHSU-OAHLLOKOSA-N 1 1 337.855 0.854 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)ncn1 ZINC001046011633 766637000 /nfs/dbraw/zinc/63/70/00/766637000.db2.gz FNNGFSFRRZDZIS-PBHICJAKSA-N 1 1 342.447 0.663 20 30 ECEDMO Cc1conc1C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011953 766638122 /nfs/dbraw/zinc/63/81/22/766638122.db2.gz JITBLXOCKCIUIO-UKRRQHHQSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1conc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011953 766638127 /nfs/dbraw/zinc/63/81/27/766638127.db2.gz JITBLXOCKCIUIO-UKRRQHHQSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1ncoc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046012593 766639231 /nfs/dbraw/zinc/63/92/31/766639231.db2.gz PXTCWMXULPICQT-DZGCQCFKSA-N 1 1 331.420 0.861 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046016128 766650524 /nfs/dbraw/zinc/65/05/24/766650524.db2.gz AZSJJVILOBHBAP-MRXNPFEDSA-N 1 1 325.416 0.742 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046017005 766652243 /nfs/dbraw/zinc/65/22/43/766652243.db2.gz JQZYFOOKZMFUGQ-UKRRQHHQSA-N 1 1 331.420 0.099 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046017558 766653693 /nfs/dbraw/zinc/65/36/93/766653693.db2.gz NZBJERSJVKUKKV-GOEBONIOSA-N 1 1 345.447 0.753 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046021119 766664581 /nfs/dbraw/zinc/66/45/81/766664581.db2.gz AWAFSLKGQIBZAT-CJNGLKHVSA-N 1 1 331.420 0.099 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046021118 766665101 /nfs/dbraw/zinc/66/51/01/766665101.db2.gz AWAFSLKGQIBZAT-BBRMVZONSA-N 1 1 331.420 0.099 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1OC ZINC001212262135 766667593 /nfs/dbraw/zinc/66/75/93/766667593.db2.gz DDEMOQUGDDXEFG-IAGOWNOFSA-N 1 1 331.416 0.745 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1OC ZINC001212262135 766667597 /nfs/dbraw/zinc/66/75/97/766667597.db2.gz DDEMOQUGDDXEFG-IAGOWNOFSA-N 1 1 331.416 0.745 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001046024525 766675755 /nfs/dbraw/zinc/67/57/55/766675755.db2.gz MXTWRMFCROOOIG-CABCVRRESA-N 1 1 336.436 0.280 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC001046024703 766675974 /nfs/dbraw/zinc/67/59/74/766675974.db2.gz PZRZHGGDOMSDGD-QGZVFWFLSA-N 1 1 334.464 0.259 20 30 ECEDMO Cn1cncc1C[N@H+]1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046026029 766681543 /nfs/dbraw/zinc/68/15/43/766681543.db2.gz BEHHUPRXCVICNW-KRWDZBQOSA-N 1 1 341.459 0.552 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992483135 766683952 /nfs/dbraw/zinc/68/39/52/766683952.db2.gz YZQUBWCZIUXJRH-SUMWQHHRSA-N 1 1 332.404 0.789 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC001046027745 766686874 /nfs/dbraw/zinc/68/68/74/766686874.db2.gz RCEJVPIDYXQYGX-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2csnc2C)C1 ZINC000994752811 766704017 /nfs/dbraw/zinc/70/40/17/766704017.db2.gz VUMMSQHNARSKAY-AWEZNQCLSA-N 1 1 332.429 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2csnc2C)C1 ZINC000994752811 766704027 /nfs/dbraw/zinc/70/40/27/766704027.db2.gz VUMMSQHNARSKAY-AWEZNQCLSA-N 1 1 332.429 0.490 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC001046032224 766705015 /nfs/dbraw/zinc/70/50/15/766705015.db2.gz GDKWWENCDFAJKF-IRXDYDNUSA-N 1 1 348.491 0.648 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1 ZINC001046032590 766705666 /nfs/dbraw/zinc/70/56/66/766705666.db2.gz LLAADPDDVWPWJZ-UXLLHSPISA-N 1 1 339.867 0.994 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1 ZINC001046032590 766705670 /nfs/dbraw/zinc/70/56/70/766705670.db2.gz LLAADPDDVWPWJZ-UXLLHSPISA-N 1 1 339.867 0.994 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC2(F)F)C1 ZINC000994754426 766707131 /nfs/dbraw/zinc/70/71/31/766707131.db2.gz LKXLOMJAGQPOKX-OLZOCXBDSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC2(F)F)C1 ZINC000994754426 766707140 /nfs/dbraw/zinc/70/71/40/766707140.db2.gz LKXLOMJAGQPOKX-OLZOCXBDSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cn(C)nc2CC)C1 ZINC000994754581 766707273 /nfs/dbraw/zinc/70/72/73/766707273.db2.gz MPTSPYKAGVSBNT-INIZCTEOSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cn(C)nc2CC)C1 ZINC000994754581 766707279 /nfs/dbraw/zinc/70/72/79/766707279.db2.gz MPTSPYKAGVSBNT-INIZCTEOSA-N 1 1 343.431 0.021 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC001046033780 766711938 /nfs/dbraw/zinc/71/19/38/766711938.db2.gz KTNHJBHJTHODAA-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO N#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001046035547 766721194 /nfs/dbraw/zinc/72/11/94/766721194.db2.gz OUVSTZWBDIALOW-HOTGVXAUSA-N 1 1 342.447 0.503 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnn4c3CCC4)CC2)C1 ZINC001046035490 766721740 /nfs/dbraw/zinc/72/17/40/766721740.db2.gz NCRBQRYPDVMRFJ-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC001046036108 766723693 /nfs/dbraw/zinc/72/36/93/766723693.db2.gz ADCXNNNIWIGINL-HNNXBMFYSA-N 1 1 343.431 0.131 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC001046036634 766728296 /nfs/dbraw/zinc/72/82/96/766728296.db2.gz NCVBXKCRWHUGIZ-OAHLLOKOSA-N 1 1 345.447 0.684 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)ncn3C)CC2)C1 ZINC001046036774 766730003 /nfs/dbraw/zinc/73/00/03/766730003.db2.gz FUOGOWLUPANYFV-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046037247 766732831 /nfs/dbraw/zinc/73/28/31/766732831.db2.gz NNNRZKJZJKZMMR-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3CC)CC2)C1 ZINC001046037474 766734091 /nfs/dbraw/zinc/73/40/91/766734091.db2.gz QDPDAPUQIGMUPO-INIZCTEOSA-N 1 1 343.475 0.838 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046039687 766744098 /nfs/dbraw/zinc/74/40/98/766744098.db2.gz VTNDUMZZQARETE-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3coc(OCC)n3)CC2)C1 ZINC001046040922 766749343 /nfs/dbraw/zinc/74/93/43/766749343.db2.gz AKEHYIWHLDGHFV-HNNXBMFYSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)C1 ZINC001046041883 766754059 /nfs/dbraw/zinc/75/40/59/766754059.db2.gz UOFYLCTYOYENMD-IRXDYDNUSA-N 1 1 341.459 0.297 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046043660 766762568 /nfs/dbraw/zinc/76/25/68/766762568.db2.gz COKISBYZJZDFOA-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn4ccnc4c3)CC2)C1 ZINC001046044864 766769016 /nfs/dbraw/zinc/76/90/16/766769016.db2.gz SJVNAONUQJSNAS-KRWDZBQOSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc4nccn43)CC2)C1 ZINC001046045503 766771814 /nfs/dbraw/zinc/77/18/14/766771814.db2.gz YMIFXCFIWFWJJW-INIZCTEOSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001046046768 766775682 /nfs/dbraw/zinc/77/56/82/766775682.db2.gz INQHODWAWDFIOY-ZXXIGWHRSA-N 1 1 329.444 0.262 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)C1 ZINC001046048826 766781589 /nfs/dbraw/zinc/78/15/89/766781589.db2.gz DYGSAIDNDWCZSV-INIZCTEOSA-N 1 1 342.443 0.869 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3nc(C)no3)CC2)C1 ZINC001046049148 766783203 /nfs/dbraw/zinc/78/32/03/766783203.db2.gz KVASSCIQFBFQMI-HNNXBMFYSA-N 1 1 333.436 0.715 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)ccn3)CC2)C1 ZINC001046050083 766785926 /nfs/dbraw/zinc/78/59/26/766785926.db2.gz DSLUGSSDEDKHGU-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC001046050068 766786468 /nfs/dbraw/zinc/78/64/68/766786468.db2.gz DAYIZPDVYKFWPV-OAHLLOKOSA-N 1 1 345.447 0.284 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC001046050912 766789447 /nfs/dbraw/zinc/78/94/47/766789447.db2.gz SQTKLNIDNQKAKF-HNNXBMFYSA-N 1 1 347.463 0.837 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 ZINC001046051449 766792359 /nfs/dbraw/zinc/79/23/59/766792359.db2.gz HIXBIANUDFFSLR-HZPDHXFCSA-N 1 1 349.479 0.195 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@@H]12 ZINC000992531340 766793752 /nfs/dbraw/zinc/79/37/52/766793752.db2.gz VFTKGTIZESRGOH-CZUORRHYSA-N 1 1 332.408 0.066 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)c3cncnc3)CC2)C1 ZINC001046054980 766804334 /nfs/dbraw/zinc/80/43/34/766804334.db2.gz TUKFHFXXPQABLJ-WBVHZDCISA-N 1 1 329.448 0.985 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nccn4ccnc34)CC2)C1 ZINC001046062221 766833207 /nfs/dbraw/zinc/83/32/07/766833207.db2.gz CXQCXRVYGPMIPX-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)c1 ZINC001046062861 766835878 /nfs/dbraw/zinc/83/58/78/766835878.db2.gz WGDVXZAFQGPIIV-SFHVURJKSA-N 1 1 342.443 0.277 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC001046064848 766845760 /nfs/dbraw/zinc/84/57/60/766845760.db2.gz WPMMQFSBWYRWIA-INIZCTEOSA-N 1 1 332.452 0.152 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC001046068153 766860858 /nfs/dbraw/zinc/86/08/58/766860858.db2.gz FPGSHQPIZRCIFE-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC001046068447 766862598 /nfs/dbraw/zinc/86/25/98/766862598.db2.gz LLFBATKBKXBFDN-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(COC)on3)CC2)C1 ZINC001046068830 766864595 /nfs/dbraw/zinc/86/45/95/766864595.db2.gz VJWBWKKVKCJCNM-OAHLLOKOSA-N 1 1 346.431 0.676 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3nccc3C)CC2)C1 ZINC001046071477 766878653 /nfs/dbraw/zinc/87/86/53/766878653.db2.gz XGMPDPNJYDFMCB-KRWDZBQOSA-N 1 1 331.464 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CC)c3C)CC2)C1 ZINC001046074226 766889059 /nfs/dbraw/zinc/88/90/59/766889059.db2.gz VRACOFUZRVPWNZ-INIZCTEOSA-N 1 1 329.448 0.677 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C(C)C)nn3)CC2)C1 ZINC001046075052 766893313 /nfs/dbraw/zinc/89/33/13/766893313.db2.gz NVHRUXMVKNJKAV-INIZCTEOSA-N 1 1 344.463 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nonc3C)CC2)C1 ZINC001046075363 766894573 /nfs/dbraw/zinc/89/45/73/766894573.db2.gz RHQSQPWNTVUVSR-OAHLLOKOSA-N 1 1 331.420 0.162 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CC)nn3)CC2)C1 ZINC001046075966 766898661 /nfs/dbraw/zinc/89/86/61/766898661.db2.gz YWBHZROGJWYFDY-HNNXBMFYSA-N 1 1 332.452 0.706 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)C1 ZINC001046076658 766903940 /nfs/dbraw/zinc/90/39/40/766903940.db2.gz OFFHHMUPVVARJG-MRXNPFEDSA-N 1 1 343.475 0.929 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)c3c[nH]cn3)CC2)C1 ZINC001046076658 766903946 /nfs/dbraw/zinc/90/39/46/766903946.db2.gz OFFHHMUPVVARJG-MRXNPFEDSA-N 1 1 343.475 0.929 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)c3c[nH]cn3)CC2)C1 ZINC001046076658 766903953 /nfs/dbraw/zinc/90/39/53/766903953.db2.gz OFFHHMUPVVARJG-MRXNPFEDSA-N 1 1 343.475 0.929 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC001046076893 766905553 /nfs/dbraw/zinc/90/55/53/766905553.db2.gz IMKAUHXRDYZXQB-INIZCTEOSA-N 1 1 345.447 0.893 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC001046078300 766910483 /nfs/dbraw/zinc/91/04/83/766910483.db2.gz JJKGJGFIXNTHEL-MSOLQXFVSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC001046078962 766911679 /nfs/dbraw/zinc/91/16/79/766911679.db2.gz ODOQYUNUDNOJQL-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC001046078780 766911953 /nfs/dbraw/zinc/91/19/53/766911953.db2.gz NNYZQPFGAZTASX-INIZCTEOSA-N 1 1 345.447 0.893 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046079669 766914449 /nfs/dbraw/zinc/91/44/49/766914449.db2.gz ZOSNNOMMFYESQE-KBPBESRZSA-N 1 1 340.855 0.236 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046079669 766914450 /nfs/dbraw/zinc/91/44/50/766914450.db2.gz ZOSNNOMMFYESQE-KBPBESRZSA-N 1 1 340.855 0.236 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC001046080234 766915027 /nfs/dbraw/zinc/91/50/27/766915027.db2.gz CRZBRIOWLJHHGM-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046080269 766916417 /nfs/dbraw/zinc/91/64/17/766916417.db2.gz DPZVDXQQALJAKV-ROUUACIJSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC001046080326 766916453 /nfs/dbraw/zinc/91/64/53/766916453.db2.gz FGZLJMOVCLRSSS-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046080465 766916878 /nfs/dbraw/zinc/91/68/78/766916878.db2.gz HRBQBTKOAFPVDG-ROUUACIJSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC001046081462 766919054 /nfs/dbraw/zinc/91/90/54/766919054.db2.gz ZPBMHHZCGKUNKF-CQSZACIVSA-N 1 1 326.404 0.128 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3Cc4cccnc4C3)CC2)C1 ZINC001046081562 766919122 /nfs/dbraw/zinc/91/91/22/766919122.db2.gz MDPIISYBOFOMPX-QZTJIDSGSA-N 1 1 338.455 0.648 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046081794 766920107 /nfs/dbraw/zinc/92/01/07/766920107.db2.gz OUENHOJUZIHPHG-SJORKVTESA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c(C)noc3C)CC2)C1 ZINC001046081729 766920338 /nfs/dbraw/zinc/92/03/38/766920338.db2.gz KIUSXWDDDABIBG-INIZCTEOSA-N 1 1 330.432 0.686 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046082041 766920864 /nfs/dbraw/zinc/92/08/64/766920864.db2.gz RRLBXTSFDYVWRU-QZTJIDSGSA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC001046082985 766922346 /nfs/dbraw/zinc/92/23/46/766922346.db2.gz ZKNOGFWUYAMYSO-KRWDZBQOSA-N 1 1 344.459 0.643 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccc(C)nc3)CC2)C1 ZINC001046084245 766924340 /nfs/dbraw/zinc/92/43/40/766924340.db2.gz ODBLUYKCBHJNEV-GOSISDBHSA-N 1 1 326.444 0.784 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC001046084211 766924360 /nfs/dbraw/zinc/92/43/60/766924360.db2.gz NDZNBECUAAIEFD-HNNXBMFYSA-N 1 1 345.447 0.522 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(N)=O)cs3)CC2)C1 ZINC001046084956 766926057 /nfs/dbraw/zinc/92/60/57/766926057.db2.gz ISZABROKEQJKIP-AWEZNQCLSA-N 1 1 348.472 0.865 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046085757 766927943 /nfs/dbraw/zinc/92/79/43/766927943.db2.gz QVYGTBSXKBYOGY-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016801537 766953718 /nfs/dbraw/zinc/95/37/18/766953718.db2.gz YCRFPKVCIRPGID-CQSZACIVSA-N 1 1 330.363 0.653 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)CO2 ZINC001053827204 766954732 /nfs/dbraw/zinc/95/47/32/766954732.db2.gz TXIWRIKYBGAQPX-HUUCEWRRSA-N 1 1 328.416 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cccc(OC)n2)C1 ZINC001031740829 766986737 /nfs/dbraw/zinc/98/67/37/766986737.db2.gz LASMWUSEEWULQI-KRWDZBQOSA-N 1 1 342.443 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cccc(OC)n2)C1 ZINC001031740829 766986746 /nfs/dbraw/zinc/98/67/46/766986746.db2.gz LASMWUSEEWULQI-KRWDZBQOSA-N 1 1 342.443 0.736 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(CC)o2)C1 ZINC001031740938 766987920 /nfs/dbraw/zinc/98/79/20/766987920.db2.gz OHFNIWUJPOGLRI-AWEZNQCLSA-N 1 1 331.420 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(CC)o2)C1 ZINC001031740938 766987927 /nfs/dbraw/zinc/98/79/27/766987927.db2.gz OHFNIWUJPOGLRI-AWEZNQCLSA-N 1 1 331.420 0.278 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001089702428 767100150 /nfs/dbraw/zinc/10/01/50/767100150.db2.gz ALGQFTKJMNUYFH-OLZOCXBDSA-N 1 1 334.420 0.215 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001089708418 767109174 /nfs/dbraw/zinc/10/91/74/767109174.db2.gz HGRSUQMFTWQCFN-KBPBESRZSA-N 1 1 343.493 0.813 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046252574 767110620 /nfs/dbraw/zinc/11/06/20/767110620.db2.gz CYNISUSRBRLIMG-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253217 767110858 /nfs/dbraw/zinc/11/08/58/767110858.db2.gz SGMBOWOUNXOJGV-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253217 767110859 /nfs/dbraw/zinc/11/08/59/767110859.db2.gz SGMBOWOUNXOJGV-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cncnc3)C2)C1=O ZINC001046260549 767115729 /nfs/dbraw/zinc/11/57/29/767115729.db2.gz MDCXCBZDWBQGGX-YOEHRIQHSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cncnc3)C2)C1=O ZINC001046260549 767115733 /nfs/dbraw/zinc/11/57/33/767115733.db2.gz MDCXCBZDWBQGGX-YOEHRIQHSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3coc(C)n3)C2)C1=O ZINC001046268849 767118176 /nfs/dbraw/zinc/11/81/76/767118176.db2.gz JVAOOWKEHTWKFI-WMLDXEAASA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3coc(C)n3)C2)C1=O ZINC001046268849 767118178 /nfs/dbraw/zinc/11/81/78/767118178.db2.gz JVAOOWKEHTWKFI-WMLDXEAASA-N 1 1 332.404 0.964 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046289253 767129951 /nfs/dbraw/zinc/12/99/51/767129951.db2.gz SYQZWYCCJLUFPL-WFASDCNBSA-N 1 1 334.401 0.809 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046289253 767129955 /nfs/dbraw/zinc/12/99/55/767129955.db2.gz SYQZWYCCJLUFPL-WFASDCNBSA-N 1 1 334.401 0.809 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnnn3CC)C2)C1=O ZINC001046297437 767134212 /nfs/dbraw/zinc/13/42/12/767134212.db2.gz BVSYSAPZEHJFHX-DYVFJYSZSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cnnn3CC)C2)C1=O ZINC001046297437 767134213 /nfs/dbraw/zinc/13/42/13/767134213.db2.gz BVSYSAPZEHJFHX-DYVFJYSZSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001046312138 767141332 /nfs/dbraw/zinc/14/13/32/767141332.db2.gz QXXUQNVAPFVHPB-GASCZTMLSA-N 1 1 349.475 0.905 20 30 ECEDMO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@@H]1CCCNC1=O ZINC001031748928 767142105 /nfs/dbraw/zinc/14/21/05/767142105.db2.gz KUJNFFVVIMJOPS-QGZVFWFLSA-N 1 1 325.412 0.612 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CS(C)(=O)=O)C1 ZINC001089782461 767168506 /nfs/dbraw/zinc/16/85/06/767168506.db2.gz XWFVSSBCEVLZNW-AJNGGQMLSA-N 1 1 326.462 0.776 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2cc(C)ncc2C#N)CC[N@H+]1C ZINC001106142290 767185125 /nfs/dbraw/zinc/18/51/25/767185125.db2.gz NWLIYMYRMPKMRO-HLLBOEOZSA-N 1 1 345.447 0.303 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046398820 767195434 /nfs/dbraw/zinc/19/54/34/767195434.db2.gz WFVIYMOTCDNNNY-QLFBSQMISA-N 1 1 342.447 0.951 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001046400689 767196933 /nfs/dbraw/zinc/19/69/33/767196933.db2.gz UFFVDICXMROBDC-SUMWQHHRSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 ZINC001212316479 767207570 /nfs/dbraw/zinc/20/75/70/767207570.db2.gz QSYUZFHNGXWODK-MRVWCRGKSA-N 1 1 330.450 0.201 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 ZINC001212316479 767207572 /nfs/dbraw/zinc/20/75/72/767207572.db2.gz QSYUZFHNGXWODK-MRVWCRGKSA-N 1 1 330.450 0.201 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001046429542 767215550 /nfs/dbraw/zinc/21/55/50/767215550.db2.gz TYCOGIRBKYVVJW-QGZVFWFLSA-N 1 1 327.388 0.955 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CN=NC1=O ZINC001089795223 767220194 /nfs/dbraw/zinc/22/01/94/767220194.db2.gz LJJCOCUPWCRCLC-YJNKXOJESA-N 1 1 329.404 0.176 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3cccnc13)CO2 ZINC001053889340 767231707 /nfs/dbraw/zinc/23/17/07/767231707.db2.gz HJIQHHVQOLIDMP-CYBMUJFWSA-N 1 1 327.388 0.879 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001046527774 767280214 /nfs/dbraw/zinc/28/02/14/767280214.db2.gz OCJKZDRALOKZBN-BLLLJJGKSA-N 1 1 332.408 0.094 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001046527774 767280218 /nfs/dbraw/zinc/28/02/18/767280218.db2.gz OCJKZDRALOKZBN-BLLLJJGKSA-N 1 1 332.408 0.094 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc(N(C)C)cn1 ZINC001089818767 767299570 /nfs/dbraw/zinc/29/95/70/767299570.db2.gz YLUZJJLOJXEPTH-IVSAIRAKSA-N 1 1 339.443 0.958 20 30 ECEDMO C=CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908565 767331179 /nfs/dbraw/zinc/33/11/79/767331179.db2.gz VWTYYSJHLPZADT-LSDHHAIUSA-N 1 1 330.432 0.899 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001089826165 767348919 /nfs/dbraw/zinc/34/89/19/767348919.db2.gz GNIPRFMGZBGNFB-JKQORVJESA-N 1 1 340.427 0.586 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)c1 ZINC001053918811 767356902 /nfs/dbraw/zinc/35/69/02/767356902.db2.gz WIKZFDZTJRZUOX-RDJZCZTQSA-N 1 1 341.411 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1cncc(Cl)n1 ZINC001106154679 767388557 /nfs/dbraw/zinc/38/85/57/767388557.db2.gz MRDRBJCDDOGHAC-NEPJUHHUSA-N 1 1 337.811 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1cncc(Cl)n1 ZINC001106154679 767388566 /nfs/dbraw/zinc/38/85/66/767388566.db2.gz MRDRBJCDDOGHAC-NEPJUHHUSA-N 1 1 337.811 0.117 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCCCC2=O)C1 ZINC001089831354 767394915 /nfs/dbraw/zinc/39/49/15/767394915.db2.gz KXLWQPPNCGMCET-QAETUUGQSA-N 1 1 329.444 0.801 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046629327 767397677 /nfs/dbraw/zinc/39/76/77/767397677.db2.gz CLYCKNKJOLYUNB-VKJFTORMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1C(=O)CCC1=O ZINC001089832910 767398513 /nfs/dbraw/zinc/39/85/13/767398513.db2.gz BPDIKQCMHUCQAS-FZKCQIBNSA-N 1 1 345.443 0.880 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001106158458 767424156 /nfs/dbraw/zinc/42/41/56/767424156.db2.gz TZMPJSCZULQINC-GJZGRUSLSA-N 1 1 331.420 0.139 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3cccnn31)CO2 ZINC001053948471 767429387 /nfs/dbraw/zinc/42/93/87/767429387.db2.gz MZEQPRNJTGKPRP-ZDUSSCGKSA-N 1 1 327.388 0.879 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001046670881 767448668 /nfs/dbraw/zinc/44/86/68/767448668.db2.gz ADRZIRNDGXEXQP-WMLDXEAASA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001046670543 767448951 /nfs/dbraw/zinc/44/89/51/767448951.db2.gz ORWSOKQAEYZAJA-HNNXBMFYSA-N 1 1 340.811 0.031 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001046670543 767448955 /nfs/dbraw/zinc/44/89/55/767448955.db2.gz ORWSOKQAEYZAJA-HNNXBMFYSA-N 1 1 340.811 0.031 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001046671966 767452385 /nfs/dbraw/zinc/45/23/85/767452385.db2.gz OCMKAHJGIUIIGW-AWEZNQCLSA-N 1 1 335.448 0.517 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001046679850 767467275 /nfs/dbraw/zinc/46/72/75/767467275.db2.gz QWNPVSPTQVSVIF-VQIMIIECSA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001046679850 767467279 /nfs/dbraw/zinc/46/72/79/767467279.db2.gz QWNPVSPTQVSVIF-VQIMIIECSA-N 1 1 341.411 0.781 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](CCn3cccn3)C2)nn1 ZINC001046680543 767468379 /nfs/dbraw/zinc/46/83/79/767468379.db2.gz FDJYILATJDYGOE-MRXNPFEDSA-N 1 1 329.408 0.555 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CCn3cccn3)C2)nn1 ZINC001046680541 767468604 /nfs/dbraw/zinc/46/86/04/767468604.db2.gz FDJYILATJDYGOE-INIZCTEOSA-N 1 1 329.408 0.555 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)Cn3cc[nH+]c3C(C)C)C2)C1=O ZINC001031034305 767484429 /nfs/dbraw/zinc/48/44/29/767484429.db2.gz NPZZWQIGHQTZOP-OAHLLOKOSA-N 1 1 345.447 0.594 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001046690160 767487118 /nfs/dbraw/zinc/48/71/18/767487118.db2.gz AJMIULDRAIMHKE-GOEBONIOSA-N 1 1 349.475 0.620 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001046690161 767487225 /nfs/dbraw/zinc/48/72/25/767487225.db2.gz AJMIULDRAIMHKE-HOCLYGCPSA-N 1 1 349.475 0.620 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046691805 767492275 /nfs/dbraw/zinc/49/22/75/767492275.db2.gz MKCGJESZWYWEAJ-KGLIPLIRSA-N 1 1 337.464 0.476 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)CCN(C(C)=O)C1)CO2 ZINC001053977238 767511419 /nfs/dbraw/zinc/51/14/19/767511419.db2.gz PSEJNXWKEKTYHN-NVXWUHKLSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001046753036 767591235 /nfs/dbraw/zinc/59/12/35/767591235.db2.gz OKFUFODUUQELMU-UMVBOHGHSA-N 1 1 344.419 0.294 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001046753036 767591241 /nfs/dbraw/zinc/59/12/41/767591241.db2.gz OKFUFODUUQELMU-UMVBOHGHSA-N 1 1 344.419 0.294 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@H]1CCNC1=O ZINC001017109292 767601048 /nfs/dbraw/zinc/60/10/48/767601048.db2.gz IUCDPYTWNOQNES-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nncn3C1)CO2 ZINC001054016724 767607441 /nfs/dbraw/zinc/60/74/41/767607441.db2.gz JOEGZESHKXOILW-GJZGRUSLSA-N 1 1 345.447 0.766 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC(=O)N(C)C1)CO2 ZINC001054018173 767610612 /nfs/dbraw/zinc/61/06/12/767610612.db2.gz YHZCVPPHZLPSCA-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCN1C(C)=O)CO2 ZINC001054018649 767611787 /nfs/dbraw/zinc/61/17/87/767611787.db2.gz HGBOAPAWXOYREP-JKSUJKDBSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C(N)=O)n1)CO2 ZINC001054020172 767613918 /nfs/dbraw/zinc/61/39/18/767613918.db2.gz HNXQLRIZAMRJFO-LBPRGKRZSA-N 1 1 330.388 0.330 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(C(N)=O)cc1)CO2 ZINC001054021384 767616361 /nfs/dbraw/zinc/61/63/61/767616361.db2.gz LEMSXNLCHDNGOK-INIZCTEOSA-N 1 1 343.427 0.864 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001054051773 767651308 /nfs/dbraw/zinc/65/13/08/767651308.db2.gz JHUJMXBVFLNSGY-IXDOHACOSA-N 1 1 343.427 0.748 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001054051773 767651314 /nfs/dbraw/zinc/65/13/14/767651314.db2.gz JHUJMXBVFLNSGY-IXDOHACOSA-N 1 1 343.427 0.748 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054059229 767655694 /nfs/dbraw/zinc/65/56/94/767655694.db2.gz JWFKIFGBAYRPJS-ROUUACIJSA-N 1 1 342.443 0.774 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054059229 767655699 /nfs/dbraw/zinc/65/56/99/767655699.db2.gz JWFKIFGBAYRPJS-ROUUACIJSA-N 1 1 342.443 0.774 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001054058536 767655965 /nfs/dbraw/zinc/65/59/65/767655965.db2.gz OTFMSMCHSCIJCM-SJORKVTESA-N 1 1 325.412 0.831 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001054058536 767655968 /nfs/dbraw/zinc/65/59/68/767655968.db2.gz OTFMSMCHSCIJCM-SJORKVTESA-N 1 1 325.412 0.831 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1=O ZINC001017157337 767662157 /nfs/dbraw/zinc/66/21/57/767662157.db2.gz HNNAKMZUBNFMMH-UKRRQHHQSA-N 1 1 346.435 0.376 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001017159663 767666062 /nfs/dbraw/zinc/66/60/62/767666062.db2.gz ARKUTHJJHGCXBD-KGLIPLIRSA-N 1 1 332.448 0.985 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001054138280 767732717 /nfs/dbraw/zinc/73/27/17/767732717.db2.gz NFHKXYZCYRAWCC-INIZCTEOSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC(=O)N(CCOC)C1)C2 ZINC001054142086 767735984 /nfs/dbraw/zinc/73/59/84/767735984.db2.gz WWOALMYCCXJEAZ-QFBILLFUSA-N 1 1 347.459 0.429 20 30 ECEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC[C@@]2(CCN(CC#N)C2)C1 ZINC001054145817 767739970 /nfs/dbraw/zinc/73/99/70/767739970.db2.gz XWDPFKDSBVLIIA-WMZOPIPTSA-N 1 1 344.463 0.651 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCOCC1=O)C2 ZINC001054147012 767742877 /nfs/dbraw/zinc/74/28/77/767742877.db2.gz XMVFAVDTOPFZIU-GOSISDBHSA-N 1 1 335.448 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001054165206 767764050 /nfs/dbraw/zinc/76/40/50/767764050.db2.gz BVZHBNRMOPFSMN-GJYPPUQNSA-N 1 1 347.459 0.747 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC000992897768 767769784 /nfs/dbraw/zinc/76/97/84/767769784.db2.gz ZTJRAGQZYJIFHT-TXPKVOOTSA-N 1 1 329.444 0.801 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@@]2(CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001054188649 767789982 /nfs/dbraw/zinc/78/99/82/767789982.db2.gz QIAOXYXUPYTMTI-IBGZPJMESA-N 1 1 343.402 0.977 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)[C@@H](O)C1 ZINC001083717915 767817208 /nfs/dbraw/zinc/81/72/08/767817208.db2.gz ULVZJAWEOUCTDQ-ZNMIVQPWSA-N 1 1 337.464 0.761 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(C)CCOCCNc1nccnc1C#N ZINC001127347316 768376657 /nfs/dbraw/zinc/37/66/57/768376657.db2.gz LYVQAGDNVULHCI-UHFFFAOYSA-N 1 1 334.424 0.577 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C ZINC001106512469 768393046 /nfs/dbraw/zinc/39/30/46/768393046.db2.gz MEFRSBQQGHCSAI-RAIGVLPGSA-N 1 1 334.424 0.102 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106539023 768418971 /nfs/dbraw/zinc/41/89/71/768418971.db2.gz DELFVWNWNDAGAS-HIFRSBDPSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106539023 768418976 /nfs/dbraw/zinc/41/89/76/768418976.db2.gz DELFVWNWNDAGAS-HIFRSBDPSA-N 1 1 346.435 0.764 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)Nc1ccnc(C#N)n1 ZINC001089335716 768432014 /nfs/dbraw/zinc/43/20/14/768432014.db2.gz ZCHPAQBYJDGZKO-NWDGAFQWSA-N 1 1 327.392 0.671 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001055249858 768708172 /nfs/dbraw/zinc/70/81/72/768708172.db2.gz DKZWLRPQSVTZMZ-WCVJEAGWSA-N 1 1 335.448 0.304 20 30 ECEDMO CC#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268078 768724637 /nfs/dbraw/zinc/72/46/37/768724637.db2.gz BQRWSGTYKVEBOC-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO CC#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268078 768724641 /nfs/dbraw/zinc/72/46/41/768724641.db2.gz BQRWSGTYKVEBOC-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268662 768725263 /nfs/dbraw/zinc/72/52/63/768725263.db2.gz OQCKMTMPSORUTK-MWDXBVQZSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268662 768725265 /nfs/dbraw/zinc/72/52/65/768725265.db2.gz OQCKMTMPSORUTK-MWDXBVQZSA-N 1 1 349.475 0.836 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001042059137 782691523 /nfs/dbraw/zinc/69/15/23/782691523.db2.gz ZZTVAYHHSYLIEA-DLBZAZTESA-N 1 1 345.443 0.181 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001042059137 782691528 /nfs/dbraw/zinc/69/15/28/782691528.db2.gz ZZTVAYHHSYLIEA-DLBZAZTESA-N 1 1 345.443 0.181 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001055313696 768770411 /nfs/dbraw/zinc/77/04/11/768770411.db2.gz BGWZQGVYAOPODU-ZRGWGRIASA-N 1 1 349.475 0.715 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055344738 768802442 /nfs/dbraw/zinc/80/24/42/768802442.db2.gz BHMYOCJFQBZJOP-HRCADAONSA-N 1 1 335.448 0.448 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]21 ZINC001042062944 782700217 /nfs/dbraw/zinc/70/02/17/782700217.db2.gz QBWJQHRQPHIFSD-GJZGRUSLSA-N 1 1 345.443 0.718 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](CCNC(=O)c2ccco2)CC1 ZINC001055500074 768951582 /nfs/dbraw/zinc/95/15/82/768951582.db2.gz BJHZCBMZQWJGLE-GOSISDBHSA-N 1 1 349.431 0.917 20 30 ECEDMO CS[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055529289 769013679 /nfs/dbraw/zinc/01/36/79/769013679.db2.gz OSWQOKKSXOLUPB-CYBMUJFWSA-N 1 1 337.489 0.848 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2cn[nH]c2)CC1 ZINC001055530577 769019401 /nfs/dbraw/zinc/01/94/01/769019401.db2.gz NZVNXOTVMKCJKU-UHFFFAOYSA-N 1 1 329.404 0.134 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC000993424812 769042919 /nfs/dbraw/zinc/04/29/19/769042919.db2.gz ZQVJMDPXMNDKQJ-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001055538373 769049498 /nfs/dbraw/zinc/04/94/98/769049498.db2.gz BVUWBPYAPAEOTO-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO C=CCCC(=O)NCC[NH+]1CCC(NC(=O)CCc2c[nH]nn2)CC1 ZINC001055539473 769057098 /nfs/dbraw/zinc/05/70/98/769057098.db2.gz YDMDJBBSXSHMSA-UHFFFAOYSA-N 1 1 348.451 0.400 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3ccn[nH]3)CCCO2)C1=O ZINC001078344321 782718103 /nfs/dbraw/zinc/71/81/03/782718103.db2.gz MTXHFIAJCKFLAE-UONOGXRCSA-N 1 1 347.419 0.017 20 30 ECEDMO Cc1nocc1C(=O)NC1CC[NH+](CCNC(=O)C#CC(C)C)CC1 ZINC001055572340 769149838 /nfs/dbraw/zinc/14/98/38/769149838.db2.gz DJDXLUKZBKRNJD-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2cnon2)CC1 ZINC001055574986 769159803 /nfs/dbraw/zinc/15/98/03/769159803.db2.gz HJKNMRVLOOIKIS-UHFFFAOYSA-N 1 1 347.419 0.430 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)CCc2cnc[nH]2)CC1 ZINC001055592285 769201395 /nfs/dbraw/zinc/20/13/95/769201395.db2.gz IXMONMXVYYCIBL-ZDUSSCGKSA-N 1 1 346.435 0.199 20 30 ECEDMO COCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001018364334 769205852 /nfs/dbraw/zinc/20/58/52/769205852.db2.gz RZUCYRTUQBKKKK-HUUCEWRRSA-N 1 1 336.436 0.175 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622764 769281582 /nfs/dbraw/zinc/28/15/82/769281582.db2.gz YKMSKOZNDMGVQR-OLZOCXBDSA-N 1 1 349.435 0.838 20 30 ECEDMO CCc1nc(C(=O)NC2CC[NH+](CCNC(=O)[C@H](C)C#N)CC2)co1 ZINC001055629552 769295290 /nfs/dbraw/zinc/29/52/90/769295290.db2.gz DBNYKEPIGAHRDY-GFCCVEGCSA-N 1 1 347.419 0.707 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001055632451 769306552 /nfs/dbraw/zinc/30/65/52/769306552.db2.gz VKIZDRZYJQYIFA-GOEBONIOSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001055632451 769306562 /nfs/dbraw/zinc/30/65/62/769306562.db2.gz VKIZDRZYJQYIFA-GOEBONIOSA-N 1 1 349.479 0.327 20 30 ECEDMO CC[NH+](CC)CC(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055632433 769307789 /nfs/dbraw/zinc/30/77/89/769307789.db2.gz VBOXTVZUAUIYCA-AWEZNQCLSA-N 1 1 337.468 0.185 20 30 ECEDMO Cc1cnoc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055634362 769314584 /nfs/dbraw/zinc/31/45/84/769314584.db2.gz KAJYWDPRIJKSFP-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C ZINC000993588843 769377721 /nfs/dbraw/zinc/37/77/21/769377721.db2.gz RFUVNZIVNMAZRA-ZIAGYGMSSA-N 1 1 334.420 0.658 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C ZINC000993669812 769456686 /nfs/dbraw/zinc/45/66/86/769456686.db2.gz KVGDCQHMQBFXJM-CMPLNLGQSA-N 1 1 330.396 0.463 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001078357738 782765816 /nfs/dbraw/zinc/76/58/16/782765816.db2.gz AXIWLKXIZPOZHG-TZMCWYRMSA-N 1 1 346.435 0.559 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1C ZINC001078359777 782771536 /nfs/dbraw/zinc/77/15/36/782771536.db2.gz DRHUYTXDWLQMQZ-QWHCGFSZSA-N 1 1 334.424 0.244 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C(F)F)C2)C1 ZINC001018658159 769722388 /nfs/dbraw/zinc/72/23/88/769722388.db2.gz HHMJAKIVXJYMAO-LBPRGKRZSA-N 1 1 325.359 0.410 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C(F)F)C2)C1 ZINC001018658159 769722394 /nfs/dbraw/zinc/72/23/94/769722394.db2.gz HHMJAKIVXJYMAO-LBPRGKRZSA-N 1 1 325.359 0.410 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001018682712 769756984 /nfs/dbraw/zinc/75/69/84/769756984.db2.gz RAXHPQNSESXRDI-LBPRGKRZSA-N 1 1 328.380 0.458 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)c3cc(CC)[nH]n3)C2)CC1 ZINC000993855391 769763646 /nfs/dbraw/zinc/76/36/46/769763646.db2.gz PGSGOPYBSBAODZ-UHFFFAOYSA-N 1 1 343.431 0.258 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001042104149 782776950 /nfs/dbraw/zinc/77/69/50/782776950.db2.gz LOPZQLBCTSJXHR-MRXNPFEDSA-N 1 1 341.411 0.065 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000993870809 769821335 /nfs/dbraw/zinc/82/13/35/769821335.db2.gz AZZHVYLYDPNOSG-KFWWJZLASA-N 1 1 337.464 0.740 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000993870809 769821347 /nfs/dbraw/zinc/82/13/47/769821347.db2.gz AZZHVYLYDPNOSG-KFWWJZLASA-N 1 1 337.464 0.740 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc4n3CCCC4)C2)c[nH]1 ZINC001018739203 769832472 /nfs/dbraw/zinc/83/24/72/769832472.db2.gz YZZWLCAHKGKPJW-ZDUSSCGKSA-N 1 1 339.403 0.818 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCOCCNc1nccnc1C#N ZINC001127403852 769889086 /nfs/dbraw/zinc/88/90/86/769889086.db2.gz RFXULODADIMFHR-UHFFFAOYSA-N 1 1 348.451 0.965 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)/C(C)=C/C)C1 ZINC001055872416 770048223 /nfs/dbraw/zinc/04/82/23/770048223.db2.gz HADUFGRYQRYRMS-FEUOGBDYSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)/C(C)=C/C)C1 ZINC001055872416 770048232 /nfs/dbraw/zinc/04/82/32/770048232.db2.gz HADUFGRYQRYRMS-FEUOGBDYSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001055909645 770175482 /nfs/dbraw/zinc/17/54/82/770175482.db2.gz BMCBLRSYPSVKRA-SFHVURJKSA-N 1 1 346.431 0.465 20 30 ECEDMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCCO2)nn1 ZINC001078382734 782816311 /nfs/dbraw/zinc/81/63/11/782816311.db2.gz KXHKFNOSWSTJPH-CQSZACIVSA-N 1 1 343.391 0.036 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c(C)nc[nH]c3=O)C[C@H]21 ZINC001042128954 782817443 /nfs/dbraw/zinc/81/74/43/782817443.db2.gz CILNITQWKHRFKX-GOEBONIOSA-N 1 1 328.416 0.979 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C ZINC000994186114 770274714 /nfs/dbraw/zinc/27/47/14/770274714.db2.gz ZYJQFCZVOPNKKC-HUUCEWRRSA-N 1 1 345.447 0.374 20 30 ECEDMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCCO2)n1 ZINC001078384467 782822098 /nfs/dbraw/zinc/82/20/98/782822098.db2.gz WYNTXAPAKRYESG-HNNXBMFYSA-N 1 1 343.391 0.036 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055939625 770295663 /nfs/dbraw/zinc/29/56/63/770295663.db2.gz DJAVYLPKRHSOTE-VQIMIIECSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055955296 770357951 /nfs/dbraw/zinc/35/79/51/770357951.db2.gz ZELVJYNRHWKDLI-MAUKXSAKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055972974 770408456 /nfs/dbraw/zinc/40/84/56/770408456.db2.gz OVSLGQRQHOUFRJ-YJBOKZPZSA-N 1 1 337.464 0.764 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001055986439 770455401 /nfs/dbraw/zinc/45/54/01/770455401.db2.gz GRHYDEQYLKYITH-CXAGYDPISA-N 1 1 336.436 0.100 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001055986442 770455755 /nfs/dbraw/zinc/45/57/55/770455755.db2.gz GRHYDEQYLKYITH-SUMWQHHRSA-N 1 1 336.436 0.100 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCN(c3nccnc3C#N)CC2)CC[N@H+]1C ZINC001055993778 770484795 /nfs/dbraw/zinc/48/47/95/770484795.db2.gz NALXRHJWRSZFIM-KBPBESRZSA-N 1 1 328.420 0.727 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]21 ZINC001042140622 782842425 /nfs/dbraw/zinc/84/24/25/782842425.db2.gz BGTVPQQPLSQKHO-GJZGRUSLSA-N 1 1 346.431 0.838 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001018999581 770530230 /nfs/dbraw/zinc/53/02/30/770530230.db2.gz YETUVFFSIOJCRD-JKSUJKDBSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4sccn4c3=O)C[C@@H]21 ZINC001042143990 782845259 /nfs/dbraw/zinc/84/52/59/782845259.db2.gz ZVCCPIKOLXSYTQ-OCCSQVGLSA-N 1 1 342.424 0.926 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC000994336439 770635823 /nfs/dbraw/zinc/63/58/23/770635823.db2.gz KEHYXMVSFXVHQS-CHWSQXEVSA-N 1 1 334.420 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(C#N)cc2F)CC1 ZINC001056067309 770731465 /nfs/dbraw/zinc/73/14/65/770731465.db2.gz DEVHIVUZDAZTAK-INIZCTEOSA-N 1 1 341.390 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(C#N)cc2F)CC1 ZINC001056067309 770731468 /nfs/dbraw/zinc/73/14/68/770731468.db2.gz DEVHIVUZDAZTAK-INIZCTEOSA-N 1 1 341.390 0.839 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(OCC)ncn2)CC1 ZINC001056067578 770732839 /nfs/dbraw/zinc/73/28/39/770732839.db2.gz KXGHDKJWZCJXEN-HNNXBMFYSA-N 1 1 343.431 0.622 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(OCC)ncn2)CC1 ZINC001056067578 770732841 /nfs/dbraw/zinc/73/28/41/770732841.db2.gz KXGHDKJWZCJXEN-HNNXBMFYSA-N 1 1 343.431 0.622 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cnc4c(c3)nnn4C)C[C@H]21 ZINC001042156911 782867246 /nfs/dbraw/zinc/86/72/46/782867246.db2.gz XINXAZMURZFJEU-XJKSGUPXSA-N 1 1 338.415 0.923 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)C[C@H]21 ZINC001042159912 782871864 /nfs/dbraw/zinc/87/18/64/782871864.db2.gz IAEWIDUPMBTVCX-RHSMWYFYSA-N 1 1 336.399 0.832 20 30 ECEDMO C=C(Br)CN1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001031418676 771037185 /nfs/dbraw/zinc/03/71/85/771037185.db2.gz AIBGEYBZKWYPKO-LBPRGKRZSA-N 1 1 332.242 0.416 20 30 ECEDMO C=C(Br)CN1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001031418676 771037190 /nfs/dbraw/zinc/03/71/90/771037190.db2.gz AIBGEYBZKWYPKO-LBPRGKRZSA-N 1 1 332.242 0.416 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001056309921 771104686 /nfs/dbraw/zinc/10/46/86/771104686.db2.gz JCXWUPYNAJDWEU-ZACQAIPSSA-N 1 1 347.459 0.712 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042182293 782903741 /nfs/dbraw/zinc/90/37/41/782903741.db2.gz DLYNEMUXDVGOOG-KBPBESRZSA-N 1 1 340.855 0.094 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042182293 782903747 /nfs/dbraw/zinc/90/37/47/782903747.db2.gz DLYNEMUXDVGOOG-KBPBESRZSA-N 1 1 340.855 0.094 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001056401450 771226674 /nfs/dbraw/zinc/22/66/74/771226674.db2.gz GSEBWWDAHUMJJD-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001019390941 771240808 /nfs/dbraw/zinc/24/08/08/771240808.db2.gz HGHSUZIOZHODQQ-QAPCUYQASA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001019390941 771240813 /nfs/dbraw/zinc/24/08/13/771240813.db2.gz HGHSUZIOZHODQQ-QAPCUYQASA-N 1 1 349.475 0.980 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4nccnc4C#N)C[C@H]32)CC[N@H+]1C ZINC001056448331 771279351 /nfs/dbraw/zinc/27/93/51/771279351.db2.gz UCFJNELPIVTTSZ-QZPUYBJASA-N 1 1 340.431 0.629 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)CC[N@H+]1C ZINC001056448380 771279972 /nfs/dbraw/zinc/27/99/72/771279972.db2.gz VAWMZAYXQPHKRA-DEQQHWRFSA-N 1 1 340.431 0.629 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001056460366 771295159 /nfs/dbraw/zinc/29/51/59/771295159.db2.gz BEPYANVYFKXQNI-CTASWTNQSA-N 1 1 326.404 0.383 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127487054 771337009 /nfs/dbraw/zinc/33/70/09/771337009.db2.gz YXPWMFICNLYJFW-CQSZACIVSA-N 1 1 346.435 0.719 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnn(CC)c3)C2)C1=O ZINC001031587625 771347838 /nfs/dbraw/zinc/34/78/38/771347838.db2.gz NNKQTGUXKQWFOD-OAHLLOKOSA-N 1 1 331.420 0.352 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)CCOCCNc2cnc(C#N)cn2)CC[N@H+]1C ZINC001127505820 771384823 /nfs/dbraw/zinc/38/48/23/771384823.db2.gz XDIQVUDAVNKGNP-UKRRQHHQSA-N 1 1 346.435 0.575 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1ncc(F)cn1 ZINC001127511606 771408928 /nfs/dbraw/zinc/40/89/28/771408928.db2.gz YVZLTWMUQDOCLG-HNNXBMFYSA-N 1 1 349.410 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1ncc(F)cn1 ZINC001127511606 771408932 /nfs/dbraw/zinc/40/89/32/771408932.db2.gz YVZLTWMUQDOCLG-HNNXBMFYSA-N 1 1 349.410 0.600 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)C3CC(F)(F)C3)C2)C1=O ZINC001031609182 771430934 /nfs/dbraw/zinc/43/09/34/771430934.db2.gz PGMJJNIFQSOWPN-CYBMUJFWSA-N 1 1 327.375 0.867 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CCCO1 ZINC001089546118 771445385 /nfs/dbraw/zinc/44/53/85/771445385.db2.gz GJXGELAPQKJIMI-GDBMZVCRSA-N 1 1 346.431 0.843 20 30 ECEDMO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@H]1CCNC(=O)C1 ZINC001031613887 771447519 /nfs/dbraw/zinc/44/75/19/771447519.db2.gz SMMXJJSHIMDJHF-KRWDZBQOSA-N 1 1 325.412 0.612 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCNC(=O)C3)C2)c1 ZINC001031613696 771447598 /nfs/dbraw/zinc/44/75/98/771447598.db2.gz QQFPZCUVGSHCPO-INIZCTEOSA-N 1 1 326.400 0.632 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2nccnc2C#N)CCCO1 ZINC001089548435 771451243 /nfs/dbraw/zinc/45/12/43/771451243.db2.gz LGZSNNKGTJMERY-AWEZNQCLSA-N 1 1 346.435 0.402 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCCO1 ZINC001089549662 771458379 /nfs/dbraw/zinc/45/83/79/771458379.db2.gz XTPDYNWBXWTCSW-HNNXBMFYSA-N 1 1 346.435 0.402 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001056648503 771468051 /nfs/dbraw/zinc/46/80/51/771468051.db2.gz ZHTGFXSGQMIBMC-HUUCEWRRSA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001056648503 771468055 /nfs/dbraw/zinc/46/80/55/771468055.db2.gz ZHTGFXSGQMIBMC-HUUCEWRRSA-N 1 1 329.404 0.687 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001056654408 771474755 /nfs/dbraw/zinc/47/47/55/771474755.db2.gz QKUUTTVWHPKSCH-BBWFWOEESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001056654408 771474758 /nfs/dbraw/zinc/47/47/58/771474758.db2.gz QKUUTTVWHPKSCH-BBWFWOEESA-N 1 1 347.459 0.570 20 30 ECEDMO CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245932 771533502 /nfs/dbraw/zinc/53/35/02/771533502.db2.gz GQPVKKMZOFNKNL-HUUCEWRRSA-N 1 1 332.404 0.539 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245932 771533504 /nfs/dbraw/zinc/53/35/04/771533504.db2.gz GQPVKKMZOFNKNL-HUUCEWRRSA-N 1 1 332.404 0.539 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3F)C2)O1 ZINC001056812109 771675196 /nfs/dbraw/zinc/67/51/96/771675196.db2.gz HJIUZFBRMBJZBK-UXIGCNINSA-N 1 1 347.394 0.824 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3F)C2)O1 ZINC001056812109 771675199 /nfs/dbraw/zinc/67/51/99/771675199.db2.gz HJIUZFBRMBJZBK-UXIGCNINSA-N 1 1 347.394 0.824 20 30 ECEDMO Cc1nc(N(C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001056879839 771757144 /nfs/dbraw/zinc/75/71/44/771757144.db2.gz NRPUEDZWTHWIGY-JKSUJKDBSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1nc(N(C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001056879839 771757145 /nfs/dbraw/zinc/75/71/45/771757145.db2.gz NRPUEDZWTHWIGY-JKSUJKDBSA-N 1 1 343.431 0.629 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)nn3)C2)C1 ZINC001056930339 771821815 /nfs/dbraw/zinc/82/18/15/771821815.db2.gz HRHFGHQZTBNYHA-CABCVRRESA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)nn3)C2)C1 ZINC001056930339 771821821 /nfs/dbraw/zinc/82/18/21/771821821.db2.gz HRHFGHQZTBNYHA-CABCVRRESA-N 1 1 344.419 0.106 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001057052325 772000594 /nfs/dbraw/zinc/00/05/94/772000594.db2.gz DKRNIVSTQJXSSF-HZSPNIEDSA-N 1 1 328.420 0.726 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C)c(C(N)=O)cn3)C[C@@H]21 ZINC001042241607 782974178 /nfs/dbraw/zinc/97/41/78/782974178.db2.gz BMSIYIZMLDCBNM-BBRMVZONSA-N 1 1 326.400 0.659 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057060567 772014807 /nfs/dbraw/zinc/01/48/07/772014807.db2.gz MCPBBDYDLRZSES-GJZGRUSLSA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057060567 772014812 /nfs/dbraw/zinc/01/48/12/772014812.db2.gz MCPBBDYDLRZSES-GJZGRUSLSA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)SC)[C@H]1C ZINC001020081306 772136292 /nfs/dbraw/zinc/13/62/92/772136292.db2.gz YZRGOLWRLZMAMH-AJNGGQMLSA-N 1 1 337.489 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)SC)[C@H]1C ZINC001020081306 772136294 /nfs/dbraw/zinc/13/62/94/772136294.db2.gz YZRGOLWRLZMAMH-AJNGGQMLSA-N 1 1 337.489 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccon2)[C@H]1C ZINC001020134101 772200478 /nfs/dbraw/zinc/20/04/78/772200478.db2.gz DQPSKMPGRRFBLX-BPUTZDHNSA-N 1 1 344.415 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccon2)[C@H]1C ZINC001020134101 772200480 /nfs/dbraw/zinc/20/04/80/772200480.db2.gz DQPSKMPGRRFBLX-BPUTZDHNSA-N 1 1 344.415 0.420 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001057174796 772215813 /nfs/dbraw/zinc/21/58/13/772215813.db2.gz IOPCIXBYUNNQNX-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)cc1 ZINC001042257638 782993941 /nfs/dbraw/zinc/99/39/41/782993941.db2.gz KLEHMQBOLKLXJH-PBHICJAKSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)cc1 ZINC001042257638 782993945 /nfs/dbraw/zinc/99/39/45/782993945.db2.gz KLEHMQBOLKLXJH-PBHICJAKSA-N 1 1 341.411 0.720 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001020167974 772237711 /nfs/dbraw/zinc/23/77/11/772237711.db2.gz PADLSLVSHIPLQP-SYQHCUMBSA-N 1 1 349.435 0.854 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@H](C[NH2+]Cc3ncnn3C)C2)C1 ZINC001078464796 782996254 /nfs/dbraw/zinc/99/62/54/782996254.db2.gz HTVAVWMVAPWUCV-CQSZACIVSA-N 1 1 333.436 0.879 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@H](C[NH2+][C@H](C)c3nnnn3C)C2)C1 ZINC001078465240 782996567 /nfs/dbraw/zinc/99/65/67/782996567.db2.gz SQPPMBJFAHVIES-ZIAGYGMSSA-N 1 1 348.451 0.835 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C)CC[N@H+]1C ZINC001020193940 772264444 /nfs/dbraw/zinc/26/44/44/772264444.db2.gz SAADTCNTNCWGSM-OSRDXIQISA-N 1 1 343.431 0.946 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001057212384 772286997 /nfs/dbraw/zinc/28/69/97/772286997.db2.gz NEPGRASFLYMFFF-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057234696 772318997 /nfs/dbraw/zinc/31/89/97/772318997.db2.gz LZLUHTCEOXTSLZ-HIFRSBDPSA-N 1 1 328.420 0.585 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2cc(F)ncn2)CC1 ZINC001057252592 772347301 /nfs/dbraw/zinc/34/73/01/772347301.db2.gz AWSGVTHOSVUSJZ-AWEZNQCLSA-N 1 1 331.395 0.752 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2cc(F)ncn2)CC1 ZINC001057252592 772347305 /nfs/dbraw/zinc/34/73/05/772347305.db2.gz AWSGVTHOSVUSJZ-AWEZNQCLSA-N 1 1 331.395 0.752 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)C1 ZINC001020248164 772347536 /nfs/dbraw/zinc/34/75/36/772347536.db2.gz IVENRRVIPCBTMN-XIRDDKMYSA-N 1 1 347.459 0.615 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)C1 ZINC001020248164 772347540 /nfs/dbraw/zinc/34/75/40/772347540.db2.gz IVENRRVIPCBTMN-XIRDDKMYSA-N 1 1 347.459 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nc(CC)no2)C1 ZINC001020250833 772351311 /nfs/dbraw/zinc/35/13/11/772351311.db2.gz UDAUJGMBLCIYFK-IHRRRGAJSA-N 1 1 331.420 0.466 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nc(CC)no2)C1 ZINC001020250833 772351316 /nfs/dbraw/zinc/35/13/16/772351316.db2.gz UDAUJGMBLCIYFK-IHRRRGAJSA-N 1 1 331.420 0.466 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@@H]21 ZINC001042267055 783008735 /nfs/dbraw/zinc/00/87/35/783008735.db2.gz UITNUYZZIHHLAN-ZBFHGGJFSA-N 1 1 336.399 0.832 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001078472158 783015634 /nfs/dbraw/zinc/01/56/34/783015634.db2.gz PPIWMHJFSMBAHV-OAGGEKHMSA-N 1 1 349.435 0.113 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001078472601 783017625 /nfs/dbraw/zinc/01/76/25/783017625.db2.gz BPQHTXKJMMYTJZ-IKGGRYGDSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@H]1C ZINC001020407428 772551956 /nfs/dbraw/zinc/55/19/56/772551956.db2.gz MKTDWHFVSRFHKX-NOLJZWGESA-N 1 1 346.406 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@H]1C ZINC001020407428 772551960 /nfs/dbraw/zinc/55/19/60/772551960.db2.gz MKTDWHFVSRFHKX-NOLJZWGESA-N 1 1 346.406 0.971 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001057390306 772559004 /nfs/dbraw/zinc/55/90/04/772559004.db2.gz WKNSYVQLFZIEOK-HZPDHXFCSA-N 1 1 337.464 0.315 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(Nc2ccncc2C#N)CC1 ZINC001057426716 772601343 /nfs/dbraw/zinc/60/13/43/772601343.db2.gz FFIZELXAJQLXGW-XJKSGUPXSA-N 1 1 327.432 0.976 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001057445558 772622804 /nfs/dbraw/zinc/62/28/04/772622804.db2.gz ZLZNKKWDPCRLFH-DLBZAZTESA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(CNc3ncccc3C#N)CC2)C1 ZINC001057483722 772672656 /nfs/dbraw/zinc/67/26/56/772672656.db2.gz JRESPRLGIQGNMF-MRXNPFEDSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(CNc3ncccc3C#N)CC2)C1 ZINC001057483722 772672659 /nfs/dbraw/zinc/67/26/59/772672659.db2.gz JRESPRLGIQGNMF-MRXNPFEDSA-N 1 1 343.431 0.934 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001057524135 772715461 /nfs/dbraw/zinc/71/54/61/772715461.db2.gz AGXFXYOZFIFZNO-MRXNPFEDSA-N 1 1 337.464 0.456 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001057524129 772715645 /nfs/dbraw/zinc/71/56/45/772715645.db2.gz AGNFOWRZBIUGHR-HNNXBMFYSA-N 1 1 346.431 0.357 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001057538259 772733764 /nfs/dbraw/zinc/73/37/64/772733764.db2.gz ZELXMXHMOJJTPY-DLBZAZTESA-N 1 1 347.459 0.354 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057599355 772796332 /nfs/dbraw/zinc/79/63/32/772796332.db2.gz YYGRUWPKSILFQK-IRXDYDNUSA-N 1 1 347.459 0.211 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001057600744 772797606 /nfs/dbraw/zinc/79/76/06/772797606.db2.gz FPIGVTOQHVWMOI-CABCVRRESA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001057600744 772797610 /nfs/dbraw/zinc/79/76/10/772797610.db2.gz FPIGVTOQHVWMOI-CABCVRRESA-N 1 1 329.404 0.687 20 30 ECEDMO Cc1cc(N[C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001057603013 772802029 /nfs/dbraw/zinc/80/20/29/772802029.db2.gz ZZHCVEXDBPUSPS-RDJZCZTQSA-N 1 1 343.431 0.417 20 30 ECEDMO Cc1cc(N[C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001057603013 772802035 /nfs/dbraw/zinc/80/20/35/772802035.db2.gz ZZHCVEXDBPUSPS-RDJZCZTQSA-N 1 1 343.431 0.417 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001057694573 772918469 /nfs/dbraw/zinc/91/84/69/772918469.db2.gz JVYFJFZTQVHMAB-LSDHHAIUSA-N 1 1 339.480 0.724 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C)CC[N@H+]1C ZINC001057739646 772956429 /nfs/dbraw/zinc/95/64/29/772956429.db2.gz JFICXFUMHDLXSB-HUUCEWRRSA-N 1 1 337.464 0.313 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739879 772957031 /nfs/dbraw/zinc/95/70/31/772957031.db2.gz ULERTABPJDKPPM-ARFHVFGLSA-N 1 1 339.480 0.866 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001057757787 772967139 /nfs/dbraw/zinc/96/71/39/772967139.db2.gz VJJQUCCWMIICNK-KGLIPLIRSA-N 1 1 328.420 0.515 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001057770974 772972351 /nfs/dbraw/zinc/97/23/51/772972351.db2.gz QKKWRSSJECQOII-HZSPNIEDSA-N 1 1 328.420 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001057773135 772974315 /nfs/dbraw/zinc/97/43/15/772974315.db2.gz CNTIXUWZUQIWKA-ZBFHGGJFSA-N 1 1 338.415 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001057773135 772974317 /nfs/dbraw/zinc/97/43/17/772974317.db2.gz CNTIXUWZUQIWKA-ZBFHGGJFSA-N 1 1 338.415 0.849 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001057790946 772986235 /nfs/dbraw/zinc/98/62/35/772986235.db2.gz SOQKMRXBLAXCIM-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001057790946 772986238 /nfs/dbraw/zinc/98/62/38/772986238.db2.gz SOQKMRXBLAXCIM-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001057804377 773002622 /nfs/dbraw/zinc/00/26/22/773002622.db2.gz FTSMNTSVXQYTON-HNNXBMFYSA-N 1 1 325.453 0.622 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC(=C)C ZINC001057807915 773008540 /nfs/dbraw/zinc/00/85/40/773008540.db2.gz WBWPZQCWNPHHNO-INIZCTEOSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC(=C)C ZINC001057807915 773008547 /nfs/dbraw/zinc/00/85/47/773008547.db2.gz WBWPZQCWNPHHNO-INIZCTEOSA-N 1 1 335.448 0.377 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)C#CC(C)C ZINC001057942552 773234814 /nfs/dbraw/zinc/23/48/14/773234814.db2.gz KWPPUBHPNFHBLY-UHFFFAOYSA-N 1 1 325.453 0.313 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@H](C=C)CC ZINC001057961985 773292804 /nfs/dbraw/zinc/29/28/04/773292804.db2.gz BXAPQJRCGSPPDF-SJORKVTESA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@H](C=C)CC ZINC001057961985 773292805 /nfs/dbraw/zinc/29/28/05/773292805.db2.gz BXAPQJRCGSPPDF-SJORKVTESA-N 1 1 349.475 0.623 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001057966240 773301016 /nfs/dbraw/zinc/30/10/16/773301016.db2.gz BADCPAOMBXYSHO-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058087241 773508594 /nfs/dbraw/zinc/50/85/94/773508594.db2.gz KUWQBOLTRZWTCV-XJKSGUPXSA-N 1 1 342.447 0.973 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)C2)O1 ZINC001058263898 773875918 /nfs/dbraw/zinc/87/59/18/773875918.db2.gz DLDNDTYWPWEWDP-VNQPRFMTSA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)C2)O1 ZINC001058263898 773875923 /nfs/dbraw/zinc/87/59/23/773875923.db2.gz DLDNDTYWPWEWDP-VNQPRFMTSA-N 1 1 343.431 0.757 20 30 ECEDMO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058316733 773960149 /nfs/dbraw/zinc/96/01/49/773960149.db2.gz GMYVFZSQGJXXQA-ZBFHGGJFSA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058316733 773960150 /nfs/dbraw/zinc/96/01/50/773960150.db2.gz GMYVFZSQGJXXQA-ZBFHGGJFSA-N 1 1 329.404 0.287 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001058371904 774052107 /nfs/dbraw/zinc/05/21/07/774052107.db2.gz KMUVBKCXWFSAHR-CYBMUJFWSA-N 1 1 339.403 0.811 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040636298 783147678 /nfs/dbraw/zinc/14/76/78/783147678.db2.gz QIBADPRJYFFWOC-RDTXWAMCSA-N 1 1 348.447 0.873 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001058438006 774179453 /nfs/dbraw/zinc/17/94/53/774179453.db2.gz NPMWQXURUYGQTH-LSDHHAIUSA-N 1 1 327.469 0.722 20 30 ECEDMO N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001058469851 774246185 /nfs/dbraw/zinc/24/61/85/774246185.db2.gz SFVJLBPWCKZYKI-GXTWGEPZSA-N 1 1 337.387 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C1CC1 ZINC001058470276 774246481 /nfs/dbraw/zinc/24/64/81/774246481.db2.gz GGPIXWVYOZBSKL-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C1CC1 ZINC001058470276 774246485 /nfs/dbraw/zinc/24/64/85/774246485.db2.gz GGPIXWVYOZBSKL-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058582420 774474603 /nfs/dbraw/zinc/47/46/03/774474603.db2.gz JAMZSIDRSDEIMV-HUUCEWRRSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cncc(Cl)n2)C1 ZINC001058589833 774491821 /nfs/dbraw/zinc/49/18/21/774491821.db2.gz NPPBBHNLAZSYAU-OLZOCXBDSA-N 1 1 333.823 0.923 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cncc(Cl)n2)C1 ZINC001058589833 774491827 /nfs/dbraw/zinc/49/18/27/774491827.db2.gz NPPBBHNLAZSYAU-OLZOCXBDSA-N 1 1 333.823 0.923 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001044998282 774814660 /nfs/dbraw/zinc/81/46/60/774814660.db2.gz AKJVHWBCSKYILT-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001045059837 774913065 /nfs/dbraw/zinc/91/30/65/774913065.db2.gz WPQPNRBTDRNSMS-HUUCEWRRSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001045070291 774930308 /nfs/dbraw/zinc/93/03/08/774930308.db2.gz BDOMWQATQXNSMZ-ZDUSSCGKSA-N 1 1 329.408 0.592 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 ZINC001045103490 774983263 /nfs/dbraw/zinc/98/32/63/774983263.db2.gz XCDGJMLUQHUNRI-MRXNPFEDSA-N 1 1 347.459 0.211 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1=O ZINC001043874493 775173966 /nfs/dbraw/zinc/17/39/66/775173966.db2.gz HQUWTPFVRCUBOF-GOEBONIOSA-N 1 1 334.464 0.258 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070018795 790344052 /nfs/dbraw/zinc/34/40/52/790344052.db2.gz VFZPEZMYQINKBT-OLZOCXBDSA-N 1 1 332.795 0.938 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]2C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001045321610 775411555 /nfs/dbraw/zinc/41/15/55/775411555.db2.gz YJEZSMBOYDNIMO-WMZOPIPTSA-N 1 1 333.476 0.949 20 30 ECEDMO C=CCCC(=O)NC1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCOCC1 ZINC001070032538 790395411 /nfs/dbraw/zinc/39/54/11/790395411.db2.gz ZEJFUUUYJXQMIU-HUUCEWRRSA-N 1 1 337.464 0.932 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC2(CO1)CCN(CC#N)CC2 ZINC001045673412 776014084 /nfs/dbraw/zinc/01/40/84/776014084.db2.gz RKIKAYNIAYLMRT-JKSUJKDBSA-N 1 1 334.464 0.982 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCC2)c1 ZINC001045747982 776128670 /nfs/dbraw/zinc/12/86/70/776128670.db2.gz UTYQPOORFJPMJH-CABCVRRESA-N 1 1 341.415 0.798 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001070042010 790428160 /nfs/dbraw/zinc/42/81/60/790428160.db2.gz UPKCXUOTDUTRMA-OAHLLOKOSA-N 1 1 335.448 0.666 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@@H](n2ccnn2)C1 ZINC001070043698 790432606 /nfs/dbraw/zinc/43/26/06/790432606.db2.gz DCKPNMUTYVALIC-ZBFHGGJFSA-N 1 1 341.419 0.482 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@@H](n2ccnn2)C1 ZINC001070043698 790432611 /nfs/dbraw/zinc/43/26/11/790432611.db2.gz DCKPNMUTYVALIC-ZBFHGGJFSA-N 1 1 341.419 0.482 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001044479011 776341852 /nfs/dbraw/zinc/34/18/52/776341852.db2.gz QLKNXPVZLPSWIE-LSDHHAIUSA-N 1 1 349.475 0.905 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001044550600 776422671 /nfs/dbraw/zinc/42/26/71/776422671.db2.gz PIZNDPVZHZMEIC-JQWIXIFHSA-N 1 1 328.380 0.193 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[C@@H](C)OC)C1 ZINC001079654302 776622094 /nfs/dbraw/zinc/62/20/94/776622094.db2.gz NWBZYBBJHPCFHZ-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[C@@H](C)OC)C1 ZINC001079654302 776622098 /nfs/dbraw/zinc/62/20/98/776622098.db2.gz NWBZYBBJHPCFHZ-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001079685394 776682336 /nfs/dbraw/zinc/68/23/36/776682336.db2.gz FVOQWUKFOKNMTC-WBVHZDCISA-N 1 1 347.459 0.712 20 30 ECEDMO CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001079732681 776772604 /nfs/dbraw/zinc/77/26/04/776772604.db2.gz KFDYPLXMWGBJMC-RDJZCZTQSA-N 1 1 347.459 0.568 20 30 ECEDMO CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079733045 776773154 /nfs/dbraw/zinc/77/31/54/776773154.db2.gz SPYQCQVIQZDRMP-GDBMZVCRSA-N 1 1 335.448 0.424 20 30 ECEDMO CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079733045 776773159 /nfs/dbraw/zinc/77/31/59/776773159.db2.gz SPYQCQVIQZDRMP-GDBMZVCRSA-N 1 1 335.448 0.424 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001079772269 776839317 /nfs/dbraw/zinc/83/93/17/776839317.db2.gz NHCCRAZDRZYZRV-HOTGVXAUSA-N 1 1 349.475 0.816 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](n2ccnn2)C1 ZINC001070065926 790491888 /nfs/dbraw/zinc/49/18/88/790491888.db2.gz KVNWTSYEVQEHSA-HIFRSBDPSA-N 1 1 344.423 0.682 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](n2ccnn2)C1 ZINC001070065926 790491891 /nfs/dbraw/zinc/49/18/91/790491891.db2.gz KVNWTSYEVQEHSA-HIFRSBDPSA-N 1 1 344.423 0.682 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070064464 790487218 /nfs/dbraw/zinc/48/72/18/790487218.db2.gz SRFZPJDIHQUELF-CVEARBPZSA-N 1 1 339.403 0.364 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070064464 790487226 /nfs/dbraw/zinc/48/72/26/790487226.db2.gz SRFZPJDIHQUELF-CVEARBPZSA-N 1 1 339.403 0.364 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@@H](n2ccnn2)C1 ZINC001070064194 790487425 /nfs/dbraw/zinc/48/74/25/790487425.db2.gz FXDWHQCJBSQQIU-NEPJUHHUSA-N 1 1 337.334 0.711 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@@H](n2ccnn2)C1 ZINC001070064194 790487431 /nfs/dbraw/zinc/48/74/31/790487431.db2.gz FXDWHQCJBSQQIU-NEPJUHHUSA-N 1 1 337.334 0.711 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001079797959 776889493 /nfs/dbraw/zinc/88/94/93/776889493.db2.gz FMSHYQSIFDNFAO-XOKHGSTOSA-N 1 1 340.427 0.973 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079804082 776902607 /nfs/dbraw/zinc/90/26/07/776902607.db2.gz SKWBAHDFVDQKGO-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)on2)[C@@H](n2ccnn2)C1 ZINC001070069667 790501860 /nfs/dbraw/zinc/50/18/60/790501860.db2.gz RSJOEJGEHKOBDF-CVEARBPZSA-N 1 1 342.403 0.897 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(CCC)on2)[C@@H](n2ccnn2)C1 ZINC001070069667 790501870 /nfs/dbraw/zinc/50/18/70/790501870.db2.gz RSJOEJGEHKOBDF-CVEARBPZSA-N 1 1 342.403 0.897 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ncoc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070069704 790502486 /nfs/dbraw/zinc/50/24/86/790502486.db2.gz UTEALWJNSVWEJE-KGLIPLIRSA-N 1 1 340.387 0.822 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ncoc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070069704 790502500 /nfs/dbraw/zinc/50/25/00/790502500.db2.gz UTEALWJNSVWEJE-KGLIPLIRSA-N 1 1 340.387 0.822 20 30 ECEDMO CCN(C(=O)[C@H](Cn1cccn1)[NH+](C)C)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001079943674 777120686 /nfs/dbraw/zinc/12/06/86/777120686.db2.gz KRHSFHFQQLSMDT-ZFWWWQNUSA-N 1 1 346.435 0.032 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001080023123 777251552 /nfs/dbraw/zinc/25/15/52/777251552.db2.gz AZLCGSHYWDBMBW-WQVCFCJDSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001080023123 777251558 /nfs/dbraw/zinc/25/15/58/777251558.db2.gz AZLCGSHYWDBMBW-WQVCFCJDSA-N 1 1 345.447 0.809 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001080139653 777447382 /nfs/dbraw/zinc/44/73/82/777447382.db2.gz PPPAVQNFMUNJNQ-HUUCEWRRSA-N 1 1 343.493 0.815 20 30 ECEDMO CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001080140506 777450320 /nfs/dbraw/zinc/45/03/20/777450320.db2.gz ULGZUSMIVGTVSX-CYBMUJFWSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080140508 777450389 /nfs/dbraw/zinc/45/03/89/777450389.db2.gz UODUYQBSJLWLRO-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001080194069 777535227 /nfs/dbraw/zinc/53/52/27/777535227.db2.gz PMJKQWTZTPYURX-CQSZACIVSA-N 1 1 325.453 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001080224025 777580917 /nfs/dbraw/zinc/58/09/17/777580917.db2.gz IKVXVRPTUQBDQO-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001080224025 777580924 /nfs/dbraw/zinc/58/09/24/777580924.db2.gz IKVXVRPTUQBDQO-OAHLLOKOSA-N 1 1 337.464 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2C)cc1 ZINC001080244832 777601688 /nfs/dbraw/zinc/60/16/88/777601688.db2.gz NZUGQZCWCNLOHM-KBRIMQKVSA-N 1 1 325.412 0.997 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080279173 777640129 /nfs/dbraw/zinc/64/01/29/777640129.db2.gz LKJISSKOLLAKPC-BXKDBHETSA-N 1 1 331.405 0.394 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080279173 777640133 /nfs/dbraw/zinc/64/01/33/777640133.db2.gz LKJISSKOLLAKPC-BXKDBHETSA-N 1 1 331.405 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@]2(C)CCOC2)C1 ZINC001080355778 777743963 /nfs/dbraw/zinc/74/39/63/777743963.db2.gz XNOMGFDTRYWMGC-LPHOPBHVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@]2(C)CCOC2)C1 ZINC001080355778 777743968 /nfs/dbraw/zinc/74/39/68/777743968.db2.gz XNOMGFDTRYWMGC-LPHOPBHVSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001043116097 777756139 /nfs/dbraw/zinc/75/61/39/777756139.db2.gz MKDPTNLNZOREKL-HNNXBMFYSA-N 1 1 335.448 0.374 20 30 ECEDMO C=CCN1CC[C@H](N2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001080382534 777774316 /nfs/dbraw/zinc/77/43/16/777774316.db2.gz PWPYRRVXLQASCH-OIISXLGYSA-N 1 1 348.491 0.552 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)Cn3cc[nH+]c3C)C2)CCC1 ZINC001043130016 777786062 /nfs/dbraw/zinc/78/60/62/777786062.db2.gz IZOVKAVLDVNUBJ-UHFFFAOYSA-N 1 1 344.415 0.075 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043187893 777913399 /nfs/dbraw/zinc/91/33/99/777913399.db2.gz XSULWTLOULGIDG-HOCLYGCPSA-N 1 1 349.475 0.642 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043189506 777916261 /nfs/dbraw/zinc/91/62/61/777916261.db2.gz ISDWAAFWGIVXMX-INIZCTEOSA-N 1 1 349.475 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C)c2C)[C@@H](n2ccnn2)C1 ZINC001070093714 790579014 /nfs/dbraw/zinc/57/90/14/790579014.db2.gz BXQZFQQTAKNCQB-SJORKVTESA-N 1 1 340.431 0.912 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001043206938 777958929 /nfs/dbraw/zinc/95/89/29/777958929.db2.gz GIOQTBKFWFDCQW-CQSZACIVSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070093577 790579291 /nfs/dbraw/zinc/57/92/91/790579291.db2.gz WQIJUGBXWFDGEQ-HZPDHXFCSA-N 1 1 349.475 0.912 20 30 ECEDMO O=C(C#CC1CC1)N1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001043235139 778024452 /nfs/dbraw/zinc/02/44/52/778024452.db2.gz GMOKUJBEIPYWHV-HZPDHXFCSA-N 1 1 345.443 0.106 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001043235614 778027521 /nfs/dbraw/zinc/02/75/21/778027521.db2.gz WIISETVXMOQGNV-HUUCEWRRSA-N 1 1 335.448 0.659 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1ccc(C#N)nc1 ZINC001043244614 778039864 /nfs/dbraw/zinc/03/98/64/778039864.db2.gz ONXPKBRRBKEFPC-RHSMWYFYSA-N 1 1 343.431 0.934 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001043310840 778139706 /nfs/dbraw/zinc/13/97/06/778139706.db2.gz LGHLVHMIWYJIJN-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043311173 778140072 /nfs/dbraw/zinc/14/00/72/778140072.db2.gz PSICEKRGGWIIJF-HZPDHXFCSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C(Cl)CN1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043392577 778265967 /nfs/dbraw/zinc/26/59/67/778265967.db2.gz UDVSRLBVZLMYHT-CXOJTPOUSA-N 1 1 325.840 0.745 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001070102801 790613846 /nfs/dbraw/zinc/61/38/46/790613846.db2.gz XDAYCAQZLJBWCY-KFWWJZLASA-N 1 1 331.424 0.018 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043616007 778598860 /nfs/dbraw/zinc/59/88/60/778598860.db2.gz SVQAUSMFWGXFNL-UHFFFAOYSA-N 1 1 337.464 0.600 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 ZINC001068588520 790643987 /nfs/dbraw/zinc/64/39/87/790643987.db2.gz IKYWOMKRGFGIKU-XDQVBPFNSA-N 1 1 328.420 0.853 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 ZINC001068588521 790644230 /nfs/dbraw/zinc/64/42/30/790644230.db2.gz IKYWOMKRGFGIKU-XUXIUFHCSA-N 1 1 328.420 0.853 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 ZINC001068589254 790646767 /nfs/dbraw/zinc/64/67/67/790646767.db2.gz RHPZXZFZGYUHGW-RGCMKSIDSA-N 1 1 328.420 0.853 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001068591283 790654889 /nfs/dbraw/zinc/65/48/89/790654889.db2.gz KVSSMONGZAWMIY-UMVBOHGHSA-N 1 1 328.420 0.997 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 ZINC001068593388 790660355 /nfs/dbraw/zinc/66/03/55/790660355.db2.gz FYTPMKVSUNKIIL-TZMCWYRMSA-N 1 1 345.403 0.227 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 ZINC001043802098 778888533 /nfs/dbraw/zinc/88/85/33/778888533.db2.gz RAOUIRPISJEQNI-MRXNPFEDSA-N 1 1 347.459 0.210 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@@H]21 ZINC001042271480 779951654 /nfs/dbraw/zinc/95/16/54/779951654.db2.gz YYKCRKWLZDBEBJ-CABCVRRESA-N 1 1 346.431 0.426 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001042273334 779957444 /nfs/dbraw/zinc/95/74/44/779957444.db2.gz RTJZFIPQCPRKOH-GDBMZVCRSA-N 1 1 328.416 0.823 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC001042301701 780022728 /nfs/dbraw/zinc/02/27/28/780022728.db2.gz MJAHYVQZANEDIB-OLZOCXBDSA-N 1 1 334.420 0.426 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@H]21 ZINC001042311182 780048901 /nfs/dbraw/zinc/04/89/01/780048901.db2.gz GWDIBXZWFUMRQR-GXTWGEPZSA-N 1 1 325.372 0.605 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC001042332431 780087357 /nfs/dbraw/zinc/08/73/57/780087357.db2.gz JSHLEKQHXDHJMR-ZIAGYGMSSA-N 1 1 346.431 0.263 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001078537818 780098888 /nfs/dbraw/zinc/09/88/88/780098888.db2.gz BHBWJKTZCKWBLP-YVSFHVDLSA-N 1 1 347.459 0.686 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001078537818 780098896 /nfs/dbraw/zinc/09/88/96/780098896.db2.gz BHBWJKTZCKWBLP-YVSFHVDLSA-N 1 1 347.459 0.686 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 ZINC001042345712 780108888 /nfs/dbraw/zinc/10/88/88/780108888.db2.gz MULKYUAFTBCMFL-ZIAGYGMSSA-N 1 1 334.420 0.379 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@H]21 ZINC001042363306 780147150 /nfs/dbraw/zinc/14/71/50/780147150.db2.gz QVCXNYKEKXRGGB-UKRRQHHQSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 ZINC001042363307 780147417 /nfs/dbraw/zinc/14/74/17/780147417.db2.gz QVCXNYKEKXRGGB-ZFWWWQNUSA-N 1 1 326.400 0.740 20 30 ECEDMO Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)o1 ZINC001070160992 790790325 /nfs/dbraw/zinc/79/03/25/790790325.db2.gz PQHUYZNPSCGRIP-HONMWMINSA-N 1 1 329.364 0.276 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1C ZINC001042621131 780541590 /nfs/dbraw/zinc/54/15/90/780541590.db2.gz LFBZHRWSYRNDHQ-MCIONIFRSA-N 1 1 331.395 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1C ZINC001042621131 780541597 /nfs/dbraw/zinc/54/15/97/780541597.db2.gz LFBZHRWSYRNDHQ-MCIONIFRSA-N 1 1 331.395 0.654 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001079146474 780813208 /nfs/dbraw/zinc/81/32/08/780813208.db2.gz OJYURNLIRBXBJJ-GVDBMIGSSA-N 1 1 343.427 0.525 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001079146474 780813211 /nfs/dbraw/zinc/81/32/11/780813211.db2.gz OJYURNLIRBXBJJ-GVDBMIGSSA-N 1 1 343.427 0.525 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001042806300 780856347 /nfs/dbraw/zinc/85/63/47/780856347.db2.gz DOCIFTRCSLNREV-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)c3cnc(C)[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079228260 780900310 /nfs/dbraw/zinc/90/03/10/780900310.db2.gz DHPJSISCRXDAFB-GOEBONIOSA-N 1 1 328.416 0.904 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079398496 781075973 /nfs/dbraw/zinc/07/59/73/781075973.db2.gz URMRLPMIZYQDQM-IUODEOHRSA-N 1 1 325.376 0.181 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079399913 781077246 /nfs/dbraw/zinc/07/72/46/781077246.db2.gz FIBSAGKCXLABSY-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079399913 781077253 /nfs/dbraw/zinc/07/72/53/781077253.db2.gz FIBSAGKCXLABSY-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042948183 781084342 /nfs/dbraw/zinc/08/43/42/781084342.db2.gz AARIUIFUGBVVQH-OWCLPIDISA-N 1 1 343.431 0.757 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042948297 781084439 /nfs/dbraw/zinc/08/44/39/781084439.db2.gz DTJNWZANUJDABF-HYVNUMGLSA-N 1 1 343.431 0.757 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001042973935 781122672 /nfs/dbraw/zinc/12/26/72/781122672.db2.gz FBSRMYOUBPHHOM-YSVLISHTSA-N 1 1 343.431 0.615 20 30 ECEDMO CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001042974518 781124372 /nfs/dbraw/zinc/12/43/72/781124372.db2.gz KCZORKCQMMKAPP-MGPQQGTHSA-N 1 1 344.419 0.010 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042976974 781127655 /nfs/dbraw/zinc/12/76/55/781127655.db2.gz BGPBBRLOTAFOHY-KBRIMQKVSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079447959 781130031 /nfs/dbraw/zinc/13/00/31/781130031.db2.gz YQUCTAQCEDYJJO-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493168 781180606 /nfs/dbraw/zinc/18/06/06/781180606.db2.gz AWJXRRSMAXLUNJ-DAXOMENPSA-N 1 1 326.400 0.773 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043060883 781258422 /nfs/dbraw/zinc/25/84/22/781258422.db2.gz XDTFPKYCMQNPOL-LSDHHAIUSA-N 1 1 335.448 0.517 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001079559852 781265173 /nfs/dbraw/zinc/26/51/73/781265173.db2.gz YZVRUBQUOSBEBG-DAXOMENPSA-N 1 1 345.447 0.484 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001079559852 781265176 /nfs/dbraw/zinc/26/51/76/781265176.db2.gz YZVRUBQUOSBEBG-DAXOMENPSA-N 1 1 345.447 0.484 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001079559852 781265180 /nfs/dbraw/zinc/26/51/80/781265180.db2.gz YZVRUBQUOSBEBG-DAXOMENPSA-N 1 1 345.447 0.484 20 30 ECEDMO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592505 781295639 /nfs/dbraw/zinc/29/56/39/781295639.db2.gz JJPJQOJLRKWEEU-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592505 781295647 /nfs/dbraw/zinc/29/56/47/781295647.db2.gz JJPJQOJLRKWEEU-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2O)C1 ZINC001077640824 781407108 /nfs/dbraw/zinc/40/71/08/781407108.db2.gz QAJOBRIAUZXXMH-HZPDHXFCSA-N 1 1 343.427 0.803 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2O)C1 ZINC001077640824 781407113 /nfs/dbraw/zinc/40/71/13/781407113.db2.gz QAJOBRIAUZXXMH-HZPDHXFCSA-N 1 1 343.427 0.803 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)c1 ZINC001077648606 781422758 /nfs/dbraw/zinc/42/27/58/781422758.db2.gz OEODZGVZGQDRNU-USXIJHARSA-N 1 1 329.400 0.264 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC001041409384 781451236 /nfs/dbraw/zinc/45/12/36/781451236.db2.gz XVJBXZVLBXHBEZ-IBGZPJMESA-N 1 1 340.427 0.671 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1O ZINC001077694376 781530170 /nfs/dbraw/zinc/53/01/70/781530170.db2.gz OUXSPUPPZJEYKY-VQHPVUNQSA-N 1 1 331.416 0.642 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1O ZINC001077694376 781530175 /nfs/dbraw/zinc/53/01/75/781530175.db2.gz OUXSPUPPZJEYKY-VQHPVUNQSA-N 1 1 331.416 0.642 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNc2ccncc2C#N)C1 ZINC001041483262 781606149 /nfs/dbraw/zinc/60/61/49/781606149.db2.gz QBXCMOVHSMXNTJ-WBVHZDCISA-N 1 1 343.431 0.499 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC001041498964 781634933 /nfs/dbraw/zinc/63/49/33/781634933.db2.gz SIBJKIXJOKNHAG-WMLDXEAASA-N 1 1 329.404 0.476 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC001041504481 781651266 /nfs/dbraw/zinc/65/12/66/781651266.db2.gz ZLBDAOUEAFAHLA-IMBTUZDBSA-N 1 1 332.444 0.986 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)nn1 ZINC001077801289 781721586 /nfs/dbraw/zinc/72/15/86/781721586.db2.gz KUZHIMSWNMCEIC-GDBMZVCRSA-N 1 1 349.435 0.056 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2O)nn1 ZINC001077801320 781722366 /nfs/dbraw/zinc/72/23/66/781722366.db2.gz MDVSRFZCWNFXSN-UKRRQHHQSA-N 1 1 333.436 0.675 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001077821969 781759569 /nfs/dbraw/zinc/75/95/69/781759569.db2.gz QUSISKAIDJTSMS-HZMVEIRTSA-N 1 1 348.447 0.105 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001041598971 781825458 /nfs/dbraw/zinc/82/54/58/781825458.db2.gz DENZJAVKUBGXRV-BEFAXECRSA-N 1 1 341.459 0.868 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1c(C)cnn1C ZINC001077891014 781887271 /nfs/dbraw/zinc/88/72/71/781887271.db2.gz WOKZOANUVQCOTB-GJZGRUSLSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1c(C)cnn1C ZINC001077891014 781887282 /nfs/dbraw/zinc/88/72/82/781887282.db2.gz WOKZOANUVQCOTB-GJZGRUSLSA-N 1 1 345.447 0.451 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCCO1 ZINC001039908150 783257909 /nfs/dbraw/zinc/25/79/09/783257909.db2.gz RPOZRHPWYBLNOV-ZIAGYGMSSA-N 1 1 344.419 0.154 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001040047652 783437475 /nfs/dbraw/zinc/43/74/75/783437475.db2.gz MTIYUOQOEMJHEB-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001040823761 783511059 /nfs/dbraw/zinc/51/10/59/783511059.db2.gz ZWXQSCMEKOBPGX-IJEWVQPXSA-N 1 1 340.431 0.870 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070194825 783633105 /nfs/dbraw/zinc/63/31/05/783633105.db2.gz PFTMZYPORLYCNF-CVEARBPZSA-N 1 1 344.463 0.517 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC001070204357 783651800 /nfs/dbraw/zinc/65/18/00/783651800.db2.gz XFAVOQBZCNHMEO-KBPBESRZSA-N 1 1 336.436 0.412 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001070254417 783749444 /nfs/dbraw/zinc/74/94/44/783749444.db2.gz KAVXFBHORPWXBJ-MRXNPFEDSA-N 1 1 349.475 0.913 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070281435 783786638 /nfs/dbraw/zinc/78/66/38/783786638.db2.gz XYEUWRGVNPLRMS-CABCVRRESA-N 1 1 329.408 0.966 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2C[C@@H]2CCNC(=O)CC2)c1 ZINC001038140079 783910485 /nfs/dbraw/zinc/91/04/85/783910485.db2.gz NDAGGXLFYWVACK-GXTWGEPZSA-N 1 1 329.404 0.607 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCNC(=O)C2)cc1 ZINC001038162446 783934831 /nfs/dbraw/zinc/93/48/31/783934831.db2.gz VPAOKIMBRXFNOT-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCNC(=O)C2)cc1 ZINC001038162446 783934835 /nfs/dbraw/zinc/93/48/35/783934835.db2.gz VPAOKIMBRXFNOT-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001038175217 783951189 /nfs/dbraw/zinc/95/11/89/783951189.db2.gz MXFVYYDBUYRRDQ-OAHLLOKOSA-N 1 1 327.392 0.599 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001038175217 783951197 /nfs/dbraw/zinc/95/11/97/783951197.db2.gz MXFVYYDBUYRRDQ-OAHLLOKOSA-N 1 1 327.392 0.599 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038177373 783954691 /nfs/dbraw/zinc/95/46/91/783954691.db2.gz JRQAWXQVPKVFOT-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038177373 783954697 /nfs/dbraw/zinc/95/46/97/783954697.db2.gz JRQAWXQVPKVFOT-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nccnc2N)C1 ZINC001070400894 783970196 /nfs/dbraw/zinc/97/01/96/783970196.db2.gz FWQVDWWIICFSDY-LBPRGKRZSA-N 1 1 339.403 0.525 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001070403309 783976836 /nfs/dbraw/zinc/97/68/36/783976836.db2.gz PPLVNIMRWQLHDO-KBPBESRZSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001070403235 783977757 /nfs/dbraw/zinc/97/77/57/783977757.db2.gz OBBOPUNSOVCUIC-UONOGXRCSA-N 1 1 343.431 0.365 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001070403440 783979062 /nfs/dbraw/zinc/97/90/62/783979062.db2.gz STILERJCBLRFES-NWDGAFQWSA-N 1 1 342.403 0.710 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001070403490 783979797 /nfs/dbraw/zinc/97/97/97/783979797.db2.gz UHHQQVSPIDXNEU-OLZOCXBDSA-N 1 1 331.420 0.527 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2C)C1 ZINC001070404830 783982721 /nfs/dbraw/zinc/98/27/21/783982721.db2.gz QIBFYWCEVVFDSW-GDBMZVCRSA-N 1 1 347.463 0.722 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2C)C1 ZINC001070405026 783983092 /nfs/dbraw/zinc/98/30/92/783983092.db2.gz WYWMTQROIOGRPM-GDBMZVCRSA-N 1 1 345.447 0.169 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(CC)n2)C1 ZINC001070407249 783991002 /nfs/dbraw/zinc/99/10/02/783991002.db2.gz APKIQPDBTKQNDW-ZDUSSCGKSA-N 1 1 341.419 0.764 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001070408089 783992949 /nfs/dbraw/zinc/99/29/49/783992949.db2.gz MHXWNWBFDRUYFL-YPMHNXCESA-N 1 1 333.392 0.500 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnnn2C)C1 ZINC001070408650 783994216 /nfs/dbraw/zinc/99/42/16/783994216.db2.gz YCMLDNVFOHNTLI-LBPRGKRZSA-N 1 1 327.392 0.281 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001070409709 783997356 /nfs/dbraw/zinc/99/73/56/783997356.db2.gz KMEKFTXMKONMLO-KBPBESRZSA-N 1 1 345.447 0.870 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001070409712 783997882 /nfs/dbraw/zinc/99/78/82/783997882.db2.gz KMEKFTXMKONMLO-ZIAGYGMSSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001070411595 784001577 /nfs/dbraw/zinc/00/15/77/784001577.db2.gz SNKPRRZUTMVEPD-UONOGXRCSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001070417190 784021614 /nfs/dbraw/zinc/02/16/14/784021614.db2.gz WPFUGQQWDZIPNL-NSHDSACASA-N 1 1 341.371 0.454 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001070417186 784021698 /nfs/dbraw/zinc/02/16/98/784021698.db2.gz WEZXBBIMECBARL-LBPRGKRZSA-N 1 1 338.415 0.974 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001070420344 784029226 /nfs/dbraw/zinc/02/92/26/784029226.db2.gz XCGPDWUSDAOWLF-OCCSQVGLSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001070421536 784032241 /nfs/dbraw/zinc/03/22/41/784032241.db2.gz OPXHNIWYGFMRFX-ZFWWWQNUSA-N 1 1 343.431 0.317 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001070424910 784041347 /nfs/dbraw/zinc/04/13/47/784041347.db2.gz XARNSVHCYYWGHP-NSHDSACASA-N 1 1 342.403 0.742 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(CCC)nn2)C1 ZINC001070430990 784052132 /nfs/dbraw/zinc/05/21/32/784052132.db2.gz JIXHPCGWHKRXPU-ZDUSSCGKSA-N 1 1 341.419 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001070432263 784055106 /nfs/dbraw/zinc/05/51/06/784055106.db2.gz AETUVSZKNYPDLB-LBPRGKRZSA-N 1 1 337.387 0.738 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001070432882 784057825 /nfs/dbraw/zinc/05/78/25/784057825.db2.gz TXUTVRLVKXKACT-GFCCVEGCSA-N 1 1 342.403 0.409 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c(C)nn(C)c2F)C1 ZINC001070434155 784061230 /nfs/dbraw/zinc/06/12/30/784061230.db2.gz NQUVNGIZILRECR-GFCCVEGCSA-N 1 1 344.394 0.943 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CN(C(=O)c1ccon1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442425 784085050 /nfs/dbraw/zinc/08/50/50/784085050.db2.gz HYGZISSNPCJUCM-CYBMUJFWSA-N 1 1 340.387 0.666 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H](c2nnc(C)[nH]2)C2(C[NH+](CCO)C2)C1 ZINC001070447469 784102565 /nfs/dbraw/zinc/10/25/65/784102565.db2.gz LIAXWTJEMIWXER-YOEHRIQHSA-N 1 1 347.463 0.936 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001070476460 784158904 /nfs/dbraw/zinc/15/89/04/784158904.db2.gz NWHMBWRRMATVJF-KCQAQPDRSA-N 1 1 341.419 0.397 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC001070947308 784193932 /nfs/dbraw/zinc/19/39/32/784193932.db2.gz QWUVNXWJUJFKAT-CABCVRRESA-N 1 1 336.436 0.366 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C)n2)CC1 ZINC001070947446 784194787 /nfs/dbraw/zinc/19/47/87/784194787.db2.gz WTBWVDFFESJHTJ-UHFFFAOYSA-N 1 1 333.436 0.948 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)c2ccc(C#N)nn2)CC1 ZINC001068727352 791007165 /nfs/dbraw/zinc/00/71/65/791007165.db2.gz NWVGPURJTRDTNQ-CJNGLKHVSA-N 1 1 342.447 0.973 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](O)C(C)C)CC1 ZINC001070961227 784236479 /nfs/dbraw/zinc/23/64/79/784236479.db2.gz NUNANCNLFDZSTE-MRXNPFEDSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)COC)C1 ZINC001070549738 784258131 /nfs/dbraw/zinc/25/81/31/784258131.db2.gz CGNALSOEMKIIFH-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)COC)C1 ZINC001070549738 784258137 /nfs/dbraw/zinc/25/81/37/784258137.db2.gz CGNALSOEMKIIFH-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001070968284 784260928 /nfs/dbraw/zinc/26/09/28/784260928.db2.gz XQSXYSGKHVZBOG-UHFFFAOYSA-N 1 1 345.871 0.798 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001070968284 784260934 /nfs/dbraw/zinc/26/09/34/784260934.db2.gz XQSXYSGKHVZBOG-UHFFFAOYSA-N 1 1 345.871 0.798 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2(F)CCOCC2)CC1 ZINC001070969388 784264818 /nfs/dbraw/zinc/26/48/18/784264818.db2.gz OQRZFBJSNQBWMV-UHFFFAOYSA-N 1 1 341.427 0.732 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C2(F)CCOCC2)CC1 ZINC001070969388 784264827 /nfs/dbraw/zinc/26/48/27/784264827.db2.gz OQRZFBJSNQBWMV-UHFFFAOYSA-N 1 1 341.427 0.732 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cc[nH]n2)n1 ZINC001070594934 784403059 /nfs/dbraw/zinc/40/30/59/784403059.db2.gz ZPVGBAWQCNAGBA-STQMWFEESA-N 1 1 328.376 0.581 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]c2)n1 ZINC001070595815 784404980 /nfs/dbraw/zinc/40/49/80/784404980.db2.gz PINHEVRAPHPTNS-GJZGRUSLSA-N 1 1 342.403 0.971 20 30 ECEDMO C#CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001070599318 784413538 /nfs/dbraw/zinc/41/35/38/784413538.db2.gz TZVIEGTZFGZIBL-PMPSAXMXSA-N 1 1 345.447 0.496 20 30 ECEDMO C#CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001070599318 784413544 /nfs/dbraw/zinc/41/35/44/784413544.db2.gz TZVIEGTZFGZIBL-PMPSAXMXSA-N 1 1 345.447 0.496 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C2=COCCO2)n1 ZINC001070600172 784416174 /nfs/dbraw/zinc/41/61/74/784416174.db2.gz HGQYTSKOXVWPKN-UONOGXRCSA-N 1 1 348.403 0.985 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC001071014291 784416376 /nfs/dbraw/zinc/41/63/76/784416376.db2.gz HMNSRLGVOGPWQX-MAUKXSAKSA-N 1 1 335.448 0.640 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cocn2)n1 ZINC001070601300 784418173 /nfs/dbraw/zinc/41/81/73/784418173.db2.gz GLYPSCOKDMARAU-QWHCGFSZSA-N 1 1 329.360 0.846 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC(=O)NCC[N@@H+](CC)CC1 ZINC001071017433 784429871 /nfs/dbraw/zinc/42/98/71/784429871.db2.gz YKNKXCNYNXKERX-UHFFFAOYSA-N 1 1 327.428 0.881 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC(=O)NCC[N@H+](CC)CC1 ZINC001071017433 784429876 /nfs/dbraw/zinc/42/98/76/784429876.db2.gz YKNKXCNYNXKERX-UHFFFAOYSA-N 1 1 327.428 0.881 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001071021802 784444438 /nfs/dbraw/zinc/44/44/38/784444438.db2.gz HHPHJWOLNBZGOX-IYBDPMFKSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001071051856 784484817 /nfs/dbraw/zinc/48/48/17/784484817.db2.gz SPCFSCRKIUPSNW-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1c1cncn1C ZINC001070656655 784508639 /nfs/dbraw/zinc/50/86/39/784508639.db2.gz UUWJFTIPCIOMTR-IXYNUQLISA-N 1 1 338.415 0.464 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001071082823 784524904 /nfs/dbraw/zinc/52/49/04/784524904.db2.gz QVJFZAWXRMBAKT-HIFRSBDPSA-N 1 1 332.404 0.358 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071154833 784617321 /nfs/dbraw/zinc/61/73/21/784617321.db2.gz PZEBQVRPZVAOJC-DYVFJYSZSA-N 1 1 332.404 0.574 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CN=NC1=O)C[C@H](C)O2 ZINC001071158937 784624537 /nfs/dbraw/zinc/62/45/37/784624537.db2.gz DVKDCVREADFRIR-BBRMVZONSA-N 1 1 335.408 0.252 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@@H](C)O2 ZINC001071159482 784626421 /nfs/dbraw/zinc/62/64/21/784626421.db2.gz MOBMSRSJUICVPT-KDOFPFPSSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@H](C)O2 ZINC001071159596 784627629 /nfs/dbraw/zinc/62/76/29/784627629.db2.gz OKJGNNMFSRASQR-SUMWQHHRSA-N 1 1 335.404 0.860 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CS(=O)(=O)C1)C[C@H](C)O2 ZINC001071168950 784646421 /nfs/dbraw/zinc/64/64/21/784646421.db2.gz KEDQRRJBJIJTDI-BBRMVZONSA-N 1 1 342.461 0.299 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn3nnnc13)C[C@@H](C)O2 ZINC001071172120 784655165 /nfs/dbraw/zinc/65/51/65/784655165.db2.gz XPVXQKLECVFHQB-CXAGYDPISA-N 1 1 342.403 0.616 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)C[C@@H](C)O2 ZINC001071176489 784666793 /nfs/dbraw/zinc/66/67/93/784666793.db2.gz WJRDQEPHCTVSQW-RDTXWAMCSA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1nc(CC)c[nH]1)C[C@@H](C)O2 ZINC001071177843 784669693 /nfs/dbraw/zinc/66/96/93/784669693.db2.gz GYYJQJCJTVBOTQ-KDOFPFPSSA-N 1 1 330.432 0.840 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn[nH]c(=O)c1)C[C@@H](C)O2 ZINC001071177926 784670009 /nfs/dbraw/zinc/67/00/09/784670009.db2.gz IANPROIADWMWLP-CXAGYDPISA-N 1 1 330.388 0.511 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1CC)C[C@@H](C)O2 ZINC001071178229 784671023 /nfs/dbraw/zinc/67/10/23/784671023.db2.gz MFWRZBZDHIWNRE-RDTXWAMCSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1CC)C[C@@H](C)O2 ZINC001071178229 784671028 /nfs/dbraw/zinc/67/10/28/784671028.db2.gz MFWRZBZDHIWNRE-RDTXWAMCSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1COC)C[C@H](C)O2 ZINC001071180582 784678805 /nfs/dbraw/zinc/67/88/05/784678805.db2.gz POHMOXMAFYDLID-KSSFIOAISA-N 1 1 346.431 0.505 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1COC)C[C@H](C)O2 ZINC001071180582 784678808 /nfs/dbraw/zinc/67/88/08/784678808.db2.gz POHMOXMAFYDLID-KSSFIOAISA-N 1 1 346.431 0.505 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1CC)C[C@@H](C)O2 ZINC001071183557 784683561 /nfs/dbraw/zinc/68/35/61/784683561.db2.gz PZSQWOAKFSTPDI-KDOFPFPSSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@H](C)O2 ZINC001071195139 784712718 /nfs/dbraw/zinc/71/27/18/784712718.db2.gz SFYMPARPKUFWDE-WMLDXEAASA-N 1 1 331.420 0.166 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@@H](C)O2 ZINC001071198950 784719891 /nfs/dbraw/zinc/71/98/91/784719891.db2.gz HQCCGVUIZOLCEA-DYVFJYSZSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@@H](C)O2 ZINC001071198950 784719895 /nfs/dbraw/zinc/71/98/95/784719895.db2.gz HQCCGVUIZOLCEA-DYVFJYSZSA-N 1 1 332.404 0.367 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@@H](C)O2 ZINC001071209204 784741285 /nfs/dbraw/zinc/74/12/85/784741285.db2.gz GTURCYKBVJSLSU-CRAIPNDOSA-N 1 1 345.447 0.463 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@@H](C)O2 ZINC001071211572 784746310 /nfs/dbraw/zinc/74/63/10/784746310.db2.gz KELOTFVDFDCQJD-DNVCBOLYSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC=C)nn1)C[C@@H](C)O2 ZINC001071215944 784755354 /nfs/dbraw/zinc/75/53/54/784755354.db2.gz JMHICLHZBQGXSM-QAPCUYQASA-N 1 1 343.431 0.793 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)s1)C[C@@H](C)O2 ZINC001071218483 784762162 /nfs/dbraw/zinc/76/21/62/784762162.db2.gz NWYBFGLKQRTOEK-SJKOYZFVSA-N 1 1 347.440 0.786 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)s1)C[C@@H](C)O2 ZINC001071218483 784762166 /nfs/dbraw/zinc/76/21/66/784762166.db2.gz NWYBFGLKQRTOEK-SJKOYZFVSA-N 1 1 347.440 0.786 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@H](C)O2 ZINC001071218344 784762335 /nfs/dbraw/zinc/76/23/35/784762335.db2.gz MGPWKUIFNPUWOL-PKOBYXMFSA-N 1 1 349.475 0.424 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@@H](C)O2 ZINC001071219838 784766485 /nfs/dbraw/zinc/76/64/85/784766485.db2.gz YVEOKMQDJDEPJQ-SJLPKXTDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cnnn1)C[C@@H](C)O2 ZINC001071222592 784775510 /nfs/dbraw/zinc/77/55/10/784775510.db2.gz DRLGKEDIEIIFEJ-ZBFHGGJFSA-N 1 1 334.424 0.331 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@H](C)O2 ZINC001071226398 784785822 /nfs/dbraw/zinc/78/58/22/784785822.db2.gz ZOSAISNXCIWWKM-UGSOOPFHSA-N 1 1 344.415 0.442 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@H](C)O2 ZINC001071230763 784794061 /nfs/dbraw/zinc/79/40/61/784794061.db2.gz KOLPSHREBHTIBI-GUYCJALGSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(CCOC)c1)C[C@@H](C)O2 ZINC001071233614 784799286 /nfs/dbraw/zinc/79/92/86/784799286.db2.gz LTYGMNYVCGCXDZ-QAPCUYQASA-N 1 1 346.431 0.468 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(CCOC)c1)C[C@@H](C)O2 ZINC001071233614 784799291 /nfs/dbraw/zinc/79/92/91/784799291.db2.gz LTYGMNYVCGCXDZ-QAPCUYQASA-N 1 1 346.431 0.468 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@@H](C)O2 ZINC001071238271 784807711 /nfs/dbraw/zinc/80/77/11/784807711.db2.gz KXBLSNBDPSGJDR-RDTXWAMCSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)nc1)C[C@@H](C)O2 ZINC001071248741 784832550 /nfs/dbraw/zinc/83/25/50/784832550.db2.gz RSCSZXRMNLNMQY-FZKQIMNGSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CCN1CCN([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C(=O)C1 ZINC001071265558 784887631 /nfs/dbraw/zinc/88/76/31/784887631.db2.gz MOSUWADINDXFHR-QGZVFWFLSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N2CCN(CC)CC2=O)C1 ZINC001071265413 784887880 /nfs/dbraw/zinc/88/78/80/784887880.db2.gz HLJWNVXFGSJRNU-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N2CCN(CC)CC2=O)C1 ZINC001071265413 784887888 /nfs/dbraw/zinc/88/78/88/784887888.db2.gz HLJWNVXFGSJRNU-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ncccn3)C2)C(=O)C1 ZINC001071275712 784916735 /nfs/dbraw/zinc/91/67/35/784916735.db2.gz NUNLQUQAJMKPJA-HNNXBMFYSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ncccn3)C2)C(=O)C1 ZINC001071275712 784916739 /nfs/dbraw/zinc/91/67/39/784916739.db2.gz NUNLQUQAJMKPJA-HNNXBMFYSA-N 1 1 343.431 0.802 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001071320820 784948864 /nfs/dbraw/zinc/94/88/64/784948864.db2.gz XQWQWPOKUTUNGW-SJORKVTESA-N 1 1 348.491 0.533 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC[C@H]1C ZINC001071834726 785190961 /nfs/dbraw/zinc/19/09/61/785190961.db2.gz BVGAWKCHEVMYPM-ZIAGYGMSSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C ZINC001071859755 785232617 /nfs/dbraw/zinc/23/26/17/785232617.db2.gz DKLFWCKOBDNIIS-CHWSQXEVSA-N 1 1 334.420 0.243 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001071874532 785252451 /nfs/dbraw/zinc/25/24/51/785252451.db2.gz KZHQDOWRPACPSO-IUODEOHRSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001068763876 791095983 /nfs/dbraw/zinc/09/59/83/791095983.db2.gz DSGCPSBJMOJPME-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@@H]1C ZINC001071889724 785276169 /nfs/dbraw/zinc/27/61/69/785276169.db2.gz BWRKWMOYEYPFEX-LSDHHAIUSA-N 1 1 346.435 0.171 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2ncc3c2nc[nH]c3=O)CC[C@H]1C ZINC001071907764 785307426 /nfs/dbraw/zinc/30/74/26/785307426.db2.gz GIDGFXYKPFSVRJ-OLZOCXBDSA-N 1 1 342.403 0.064 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1C ZINC001071969036 785439305 /nfs/dbraw/zinc/43/93/05/785439305.db2.gz YMJPQAZTJRYNOF-OLZOCXBDSA-N 1 1 334.420 0.309 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2OCC(N)=O)CC[C@H]1C ZINC001071664088 785478345 /nfs/dbraw/zinc/47/83/45/785478345.db2.gz YBMWIHMACIHNIP-KGLIPLIRSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2OCC(N)=O)CC[C@H]1C ZINC001071664088 785478349 /nfs/dbraw/zinc/47/83/49/785478349.db2.gz YBMWIHMACIHNIP-KGLIPLIRSA-N 1 1 329.400 0.767 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2cnc3c(c2)nnn3C)CC[C@@H]1C ZINC001071694775 785540474 /nfs/dbraw/zinc/54/04/74/785540474.db2.gz JQUAGHJFDAIPOZ-GXTWGEPZSA-N 1 1 326.404 0.969 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cnc3c(c2)nnn3C)CC[C@@H]1C ZINC001071694775 785540479 /nfs/dbraw/zinc/54/04/79/785540479.db2.gz JQUAGHJFDAIPOZ-GXTWGEPZSA-N 1 1 326.404 0.969 20 30 ECEDMO C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072252470 785892725 /nfs/dbraw/zinc/89/27/25/785892725.db2.gz VJYDNHSFBWCJCB-DGCLKSJQSA-N 1 1 342.407 0.298 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)Cn4cnnn4)C3)C2)c1 ZINC001072451255 786202266 /nfs/dbraw/zinc/20/22/66/786202266.db2.gz JGUVWGCJCYBPTF-UHFFFAOYSA-N 1 1 337.387 0.279 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C2)cn1 ZINC001072467382 786225056 /nfs/dbraw/zinc/22/50/56/786225056.db2.gz GZBOWUDYMWWMJG-WMLDXEAASA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C)nn1 ZINC001072481594 786256226 /nfs/dbraw/zinc/25/62/26/786256226.db2.gz SPSFYEZLKCZHHT-ZIAGYGMSSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)C[C@@H]4CCCO4)C3)C2)C1=O ZINC001072502805 786291713 /nfs/dbraw/zinc/29/17/13/786291713.db2.gz KHSRFCVRUSHNCN-JKSUJKDBSA-N 1 1 347.459 0.877 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)C2 ZINC001072553336 786358827 /nfs/dbraw/zinc/35/88/27/786358827.db2.gz XVEUYXSPPINWLN-HUUCEWRRSA-N 1 1 332.448 0.939 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC3(CN(C(=O)CC(N)=O)C3)C2)c(F)c1 ZINC001072565129 786373024 /nfs/dbraw/zinc/37/30/24/786373024.db2.gz KALXGVPPCGPBIJ-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)CC(N)=O)C3)C2)c(F)c1 ZINC001072565129 786373026 /nfs/dbraw/zinc/37/30/26/786373026.db2.gz KALXGVPPCGPBIJ-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)Cc4ccon4)C3)C2)C1=O ZINC001072565238 786373074 /nfs/dbraw/zinc/37/30/74/786373074.db2.gz OYABSIWXICBEFE-OAHLLOKOSA-N 1 1 344.415 0.538 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001074215725 786450433 /nfs/dbraw/zinc/45/04/33/786450433.db2.gz MMNYHSQHLUFZSB-IRXDYDNUSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001074215725 786450435 /nfs/dbraw/zinc/45/04/35/786450435.db2.gz MMNYHSQHLUFZSB-IRXDYDNUSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@@H]21 ZINC001074260148 786535770 /nfs/dbraw/zinc/53/57/70/786535770.db2.gz UJLMTQUYJSTETP-GJZGRUSLSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@@H]21 ZINC001074260148 786535773 /nfs/dbraw/zinc/53/57/73/786535773.db2.gz UJLMTQUYJSTETP-GJZGRUSLSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001073549362 786553548 /nfs/dbraw/zinc/55/35/48/786553548.db2.gz KSLMGASMOYYTCV-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ncc(OC)cn3)C[C@@H]21 ZINC001074293633 786613097 /nfs/dbraw/zinc/61/30/97/786613097.db2.gz ARZCJGLYOBOKDG-GJZGRUSLSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ncc(OC)cn3)C[C@@H]21 ZINC001074293633 786613102 /nfs/dbraw/zinc/61/31/02/786613102.db2.gz ARZCJGLYOBOKDG-GJZGRUSLSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@@H]21 ZINC001074294795 786616303 /nfs/dbraw/zinc/61/63/03/786616303.db2.gz SUNMOTIUQGRMQD-LSDHHAIUSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@@H]21 ZINC001074294795 786616307 /nfs/dbraw/zinc/61/63/07/786616307.db2.gz SUNMOTIUQGRMQD-LSDHHAIUSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CCN1CCO[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC001074297327 786623959 /nfs/dbraw/zinc/62/39/59/786623959.db2.gz MNOKKJPRVVTUHV-QZTJIDSGSA-N 1 1 342.443 0.697 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)c1 ZINC001073567898 786630647 /nfs/dbraw/zinc/63/06/47/786630647.db2.gz FLIUOUFSOBSHCP-DZGCQCFKSA-N 1 1 332.404 0.744 20 30 ECEDMO C=CCCCC(=O)N1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001073573844 786652288 /nfs/dbraw/zinc/65/22/88/786652288.db2.gz YGTPFWCWMNZYOS-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC001074313996 786655845 /nfs/dbraw/zinc/65/58/45/786655845.db2.gz VWJHPUKPBUONRH-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC001074313996 786655853 /nfs/dbraw/zinc/65/58/53/786655853.db2.gz VWJHPUKPBUONRH-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001073578341 786666183 /nfs/dbraw/zinc/66/61/83/786666183.db2.gz JNXSURFWIUSDOA-HOTGVXAUSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@H]21 ZINC001074321454 786670266 /nfs/dbraw/zinc/67/02/66/786670266.db2.gz KIFJIBAIWAQMHB-HUUCEWRRSA-N 1 1 347.415 0.799 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@H]21 ZINC001074321454 786670273 /nfs/dbraw/zinc/67/02/73/786670273.db2.gz KIFJIBAIWAQMHB-HUUCEWRRSA-N 1 1 347.415 0.799 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@@H]3C2)c1 ZINC001074336274 786700274 /nfs/dbraw/zinc/70/02/74/786700274.db2.gz MSRCBNWIPSPYPJ-IAGOWNOFSA-N 1 1 329.400 0.625 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@@H]3C2)c1 ZINC001074336274 786700279 /nfs/dbraw/zinc/70/02/79/786700279.db2.gz MSRCBNWIPSPYPJ-IAGOWNOFSA-N 1 1 329.400 0.625 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC001073603278 786753387 /nfs/dbraw/zinc/75/33/87/786753387.db2.gz BIGAIXRWEIGHGK-OAHLLOKOSA-N 1 1 331.420 0.847 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC001073603278 786753393 /nfs/dbraw/zinc/75/33/93/786753393.db2.gz BIGAIXRWEIGHGK-OAHLLOKOSA-N 1 1 331.420 0.847 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001073614984 786773484 /nfs/dbraw/zinc/77/34/84/786773484.db2.gz DIZAMEWRCXUTMF-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001073614984 786773492 /nfs/dbraw/zinc/77/34/92/786773492.db2.gz DIZAMEWRCXUTMF-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001073615890 786776287 /nfs/dbraw/zinc/77/62/87/786776287.db2.gz PWTOISKFDAHPLS-INIZCTEOSA-N 1 1 342.399 0.978 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001073615890 786776294 /nfs/dbraw/zinc/77/62/94/786776294.db2.gz PWTOISKFDAHPLS-INIZCTEOSA-N 1 1 342.399 0.978 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074369652 786779126 /nfs/dbraw/zinc/77/91/26/786779126.db2.gz ZVGYANSVRBQVJV-HUUCEWRRSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074369652 786779131 /nfs/dbraw/zinc/77/91/31/786779131.db2.gz ZVGYANSVRBQVJV-HUUCEWRRSA-N 1 1 332.404 0.605 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001073617818 786780391 /nfs/dbraw/zinc/78/03/91/786780391.db2.gz NFPIZNPLCTWLPY-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001073620625 786787334 /nfs/dbraw/zinc/78/73/34/786787334.db2.gz JZCDQMJRBZHLSB-AWEZNQCLSA-N 1 1 330.450 0.204 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625202 786797300 /nfs/dbraw/zinc/79/73/00/786797300.db2.gz CDQSBGJJEXZYGB-JKSUJKDBSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625202 786797308 /nfs/dbraw/zinc/79/73/08/786797308.db2.gz CDQSBGJJEXZYGB-JKSUJKDBSA-N 1 1 335.448 0.331 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001073626841 786801946 /nfs/dbraw/zinc/80/19/46/786801946.db2.gz URBUHYZIUMUBBI-INIZCTEOSA-N 1 1 347.415 0.557 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001073630387 786815794 /nfs/dbraw/zinc/81/57/94/786815794.db2.gz UDFQZFMBTNQHNE-INIZCTEOSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001073633652 786826099 /nfs/dbraw/zinc/82/60/99/786826099.db2.gz BWAIYWHJZYLDIM-NVXWUHKLSA-N 1 1 342.443 0.812 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001073647065 786864778 /nfs/dbraw/zinc/86/47/78/786864778.db2.gz CRUYNYCOCYECQN-AWEZNQCLSA-N 1 1 344.415 0.904 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001073652325 786878106 /nfs/dbraw/zinc/87/81/06/786878106.db2.gz WPNPTVCVAUVFKD-AWEZNQCLSA-N 1 1 344.419 0.830 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001073654929 786884087 /nfs/dbraw/zinc/88/40/87/786884087.db2.gz QZDCBRMWRAVLKY-CABCVRRESA-N 1 1 346.431 0.298 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001073654929 786884098 /nfs/dbraw/zinc/88/40/98/786884098.db2.gz QZDCBRMWRAVLKY-CABCVRRESA-N 1 1 346.431 0.298 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001073664492 786911376 /nfs/dbraw/zinc/91/13/76/786911376.db2.gz HPRBXRGWDFNEEQ-RDJZCZTQSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001073665310 786914405 /nfs/dbraw/zinc/91/44/05/786914405.db2.gz WSOMWSQKAJCADL-HZPDHXFCSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn3cccnc3n2)C1 ZINC001073674330 786938164 /nfs/dbraw/zinc/93/81/64/786938164.db2.gz AMCGTSBRFHFGDC-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC001073677473 786947530 /nfs/dbraw/zinc/94/75/30/786947530.db2.gz IABRTTQUQDCGJW-CYBMUJFWSA-N 1 1 327.388 0.754 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC001073677473 786947535 /nfs/dbraw/zinc/94/75/35/786947535.db2.gz IABRTTQUQDCGJW-CYBMUJFWSA-N 1 1 327.388 0.754 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001073677649 786948267 /nfs/dbraw/zinc/94/82/67/786948267.db2.gz NNDSAIPBYCUWCH-AWEZNQCLSA-N 1 1 345.399 0.697 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC001073677991 786950091 /nfs/dbraw/zinc/95/00/91/786950091.db2.gz YOTQIVZRKSQYIF-CYBMUJFWSA-N 1 1 327.388 0.754 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001073683982 786963920 /nfs/dbraw/zinc/96/39/20/786963920.db2.gz FKLVSENVZXPWQS-SJORKVTESA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001073686943 786969801 /nfs/dbraw/zinc/96/98/01/786969801.db2.gz FJXYFCYMNUUSFT-HUUCEWRRSA-N 1 1 338.452 0.560 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001073687708 786972300 /nfs/dbraw/zinc/97/23/00/786972300.db2.gz YXRKSMVNGZSZNW-MRXNPFEDSA-N 1 1 347.415 0.557 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3onc(C)c3c2)C1 ZINC001073721843 787054493 /nfs/dbraw/zinc/05/44/93/787054493.db2.gz BHQRPYIMUIRTQR-CQSZACIVSA-N 1 1 328.372 0.985 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3onc(C)c3c2)C1 ZINC001073721843 787054502 /nfs/dbraw/zinc/05/45/02/787054502.db2.gz BHQRPYIMUIRTQR-CQSZACIVSA-N 1 1 328.372 0.985 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001073723223 787062805 /nfs/dbraw/zinc/06/28/05/787062805.db2.gz CTPLJNBQCRYHGR-QGZVFWFLSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001073723223 787062817 /nfs/dbraw/zinc/06/28/17/787062817.db2.gz CTPLJNBQCRYHGR-QGZVFWFLSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001073724437 787065427 /nfs/dbraw/zinc/06/54/27/787065427.db2.gz VLEIALIPSZZGAD-CQSZACIVSA-N 1 1 332.404 0.643 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001073745860 787111059 /nfs/dbraw/zinc/11/10/59/787111059.db2.gz JYGGPUZGQQLZTD-LLVKDONJSA-N 1 1 331.376 0.670 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001073746211 787112880 /nfs/dbraw/zinc/11/28/80/787112880.db2.gz RYUBLRGHWPBYBW-GJZGRUSLSA-N 1 1 347.463 0.703 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSCC#N)[C@H](C)C1 ZINC001073747581 787117677 /nfs/dbraw/zinc/11/76/77/787117677.db2.gz NIAPWHYRFTVHOV-ZIAGYGMSSA-N 1 1 340.493 0.938 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001073766433 787161853 /nfs/dbraw/zinc/16/18/53/787161853.db2.gz FTMWMILPQKJWCF-CQSZACIVSA-N 1 1 341.415 0.812 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001073794178 787212318 /nfs/dbraw/zinc/21/23/18/787212318.db2.gz BLSRTBMQNYAOPX-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cncc(N3CCCC3)n2)C1 ZINC001073798970 787224575 /nfs/dbraw/zinc/22/45/75/787224575.db2.gz WEJSZZUGSNCRPU-OAHLLOKOSA-N 1 1 343.431 0.531 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cncc(N3CCCC3)n2)C1 ZINC001073798970 787224583 /nfs/dbraw/zinc/22/45/83/787224583.db2.gz WEJSZZUGSNCRPU-OAHLLOKOSA-N 1 1 343.431 0.531 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001073810105 787241879 /nfs/dbraw/zinc/24/18/79/787241879.db2.gz IQTGBMKAYFERMQ-NSHDSACASA-N 1 1 348.432 0.935 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001073818232 787257758 /nfs/dbraw/zinc/25/77/58/787257758.db2.gz CNAZAJAJRVVFDT-CYBMUJFWSA-N 1 1 345.403 0.338 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001073820769 787265333 /nfs/dbraw/zinc/26/53/33/787265333.db2.gz WOENMPHHXZYYHK-UKRRQHHQSA-N 1 1 334.420 0.747 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001073821171 787266200 /nfs/dbraw/zinc/26/62/00/787266200.db2.gz BHUPTBNVWJZGSU-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3cccc(OC)c23)C1 ZINC001073821512 787267523 /nfs/dbraw/zinc/26/75/23/787267523.db2.gz LMKDDFBYGYXMJS-CQSZACIVSA-N 1 1 342.399 0.797 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3cccc(OC)c23)C1 ZINC001073821512 787267527 /nfs/dbraw/zinc/26/75/27/787267527.db2.gz LMKDDFBYGYXMJS-CQSZACIVSA-N 1 1 342.399 0.797 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001074565694 787272155 /nfs/dbraw/zinc/27/21/55/787272155.db2.gz QVGSBAMFISOVSA-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001073823774 787273785 /nfs/dbraw/zinc/27/37/85/787273785.db2.gz KEONGJIPTJDNKP-OAHLLOKOSA-N 1 1 330.388 0.494 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001073823774 787273787 /nfs/dbraw/zinc/27/37/87/787273787.db2.gz KEONGJIPTJDNKP-OAHLLOKOSA-N 1 1 330.388 0.494 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001073832794 787306167 /nfs/dbraw/zinc/30/61/67/787306167.db2.gz SZKVXNMJDXVDFK-MRXNPFEDSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001073848163 787349121 /nfs/dbraw/zinc/34/91/21/787349121.db2.gz QXHCEVMAOCVGRV-HNNXBMFYSA-N 1 1 347.419 0.084 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001073848163 787349128 /nfs/dbraw/zinc/34/91/28/787349128.db2.gz QXHCEVMAOCVGRV-HNNXBMFYSA-N 1 1 347.419 0.084 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001073848395 787350365 /nfs/dbraw/zinc/35/03/65/787350365.db2.gz VKXPOJNPMKGZAH-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001073853749 787367737 /nfs/dbraw/zinc/36/77/37/787367737.db2.gz NGDVDUBSQPROSE-CABCVRRESA-N 1 1 338.452 0.703 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001073856819 787374964 /nfs/dbraw/zinc/37/49/64/787374964.db2.gz RIEUHWDTPVDBQN-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001073856819 787374974 /nfs/dbraw/zinc/37/49/74/787374974.db2.gz RIEUHWDTPVDBQN-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001074617918 787410012 /nfs/dbraw/zinc/41/00/12/787410012.db2.gz LHYQZXOEGNKOMP-UHFFFAOYSA-N 1 1 337.464 0.456 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001073874180 787417467 /nfs/dbraw/zinc/41/74/67/787417467.db2.gz VQJODULXHKFOOB-INIZCTEOSA-N 1 1 336.436 0.926 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001073880611 787426686 /nfs/dbraw/zinc/42/66/86/787426686.db2.gz OJWZMCAXHSXWKQ-ZDUSSCGKSA-N 1 1 347.419 0.362 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001073883218 787428660 /nfs/dbraw/zinc/42/86/60/787428660.db2.gz HJCGVIHMGKUFOO-INIZCTEOSA-N 1 1 329.400 0.630 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001074634722 787463433 /nfs/dbraw/zinc/46/34/33/787463433.db2.gz KYPBAVVVAJEQKF-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001073896037 787464492 /nfs/dbraw/zinc/46/44/92/787464492.db2.gz JIJWYCLNGQVOEE-ZDUSSCGKSA-N 1 1 332.404 0.577 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001073896113 787464713 /nfs/dbraw/zinc/46/47/13/787464713.db2.gz KZXZQUVCGHEAFV-ZBFHGGJFSA-N 1 1 330.432 0.745 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001073898974 787473216 /nfs/dbraw/zinc/47/32/16/787473216.db2.gz IBDBMBFWQMFVSZ-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001073898974 787473220 /nfs/dbraw/zinc/47/32/20/787473220.db2.gz IBDBMBFWQMFVSZ-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001073905338 787490242 /nfs/dbraw/zinc/49/02/42/787490242.db2.gz CDNTTXKZNVVYEB-CYBMUJFWSA-N 1 1 332.404 0.577 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c(OC)ncnc2OC)C1 ZINC001073908513 787497062 /nfs/dbraw/zinc/49/70/62/787497062.db2.gz NFAALDJLWYREIA-ZDUSSCGKSA-N 1 1 348.403 0.338 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(OC)ncnc2OC)C1 ZINC001073908513 787497068 /nfs/dbraw/zinc/49/70/68/787497068.db2.gz NFAALDJLWYREIA-ZDUSSCGKSA-N 1 1 348.403 0.338 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001073962767 787592826 /nfs/dbraw/zinc/59/28/26/787592826.db2.gz JNMGJGSFCNBHBU-HOCLYGCPSA-N 1 1 346.431 0.585 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001074705119 787643402 /nfs/dbraw/zinc/64/34/02/787643402.db2.gz NDKLMCFJXUSFMR-AWEZNQCLSA-N 1 1 338.452 0.348 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001074707294 787649367 /nfs/dbraw/zinc/64/93/67/787649367.db2.gz XXMYLBOCFROIJU-KBPBESRZSA-N 1 1 336.436 0.100 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072634829 788477007 /nfs/dbraw/zinc/47/70/07/788477007.db2.gz INSRDWIDXQUERX-UHFFFAOYSA-N 1 1 325.376 0.363 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072634829 788477012 /nfs/dbraw/zinc/47/70/12/788477012.db2.gz INSRDWIDXQUERX-UHFFFAOYSA-N 1 1 325.376 0.363 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnc(C)[nH]3)[C@@H]2C)nn1 ZINC001074949427 788595422 /nfs/dbraw/zinc/59/54/22/788595422.db2.gz AICISPZPVUNCBA-MDZLAQPJSA-N 1 1 344.423 0.844 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C1=O ZINC001072712208 788636816 /nfs/dbraw/zinc/63/68/16/788636816.db2.gz KYMPOSGWEUBTNZ-INIZCTEOSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001074991797 788681765 /nfs/dbraw/zinc/68/17/65/788681765.db2.gz YPHBKEIKZVUPSI-CVEARBPZSA-N 1 1 337.464 0.864 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072741047 788685434 /nfs/dbraw/zinc/68/54/34/788685434.db2.gz UVNMUQCBFFJJOD-UHFFFAOYSA-N 1 1 337.387 0.279 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072741047 788685441 /nfs/dbraw/zinc/68/54/41/788685441.db2.gz UVNMUQCBFFJJOD-UHFFFAOYSA-N 1 1 337.387 0.279 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001072867556 788993175 /nfs/dbraw/zinc/99/31/75/788993175.db2.gz HRYSMOWGCDTYEK-CYBMUJFWSA-N 1 1 331.420 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)C(=O)Nc3ccc(OC)cc3)C2)C1 ZINC001072901243 789071005 /nfs/dbraw/zinc/07/10/05/789071005.db2.gz GZMHNLVEQBIQRJ-UHFFFAOYSA-N 1 1 327.384 0.801 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)C#CC3CC3)CC2)C1 ZINC001072922090 789118812 /nfs/dbraw/zinc/11/88/12/789118812.db2.gz BYSNCAUSMZQORC-HNNXBMFYSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)C#CC3CC3)CC2)C1 ZINC001072922090 789118821 /nfs/dbraw/zinc/11/88/21/789118821.db2.gz BYSNCAUSMZQORC-HNNXBMFYSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cc(N4CCCC4)ncn3)C2)C1 ZINC001072979711 789203995 /nfs/dbraw/zinc/20/39/95/789203995.db2.gz IXOAYJMKAPFLPZ-UHFFFAOYSA-N 1 1 325.416 0.858 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073028241 789302163 /nfs/dbraw/zinc/30/21/63/789302163.db2.gz FQZJMQGBISZHNL-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001073029442 789305754 /nfs/dbraw/zinc/30/57/54/789305754.db2.gz XMAQNCFDWXLUAL-AWEZNQCLSA-N 1 1 346.431 0.727 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3ccn[nH]3)CC2)C1 ZINC001075387677 789315045 /nfs/dbraw/zinc/31/50/45/789315045.db2.gz BGHDXKZLPSHCTO-WBVHZDCISA-N 1 1 330.432 0.961 20 30 ECEDMO C#CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001075413410 789339871 /nfs/dbraw/zinc/33/98/71/789339871.db2.gz NGGKLADVHHPQCI-GDBMZVCRSA-N 1 1 346.431 0.748 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001073053850 789354570 /nfs/dbraw/zinc/35/45/70/789354570.db2.gz XOHHXHUCDLHZJQ-LBPRGKRZSA-N 1 1 347.868 0.307 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001073053850 789354576 /nfs/dbraw/zinc/35/45/76/789354576.db2.gz XOHHXHUCDLHZJQ-LBPRGKRZSA-N 1 1 347.868 0.307 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)C#CC3CC3)CC2)C1 ZINC001073065460 789378230 /nfs/dbraw/zinc/37/82/30/789378230.db2.gz LSRGULOCLUOYOR-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)C#CC3CC3)CC2)C1 ZINC001073065460 789378239 /nfs/dbraw/zinc/37/82/39/789378239.db2.gz LSRGULOCLUOYOR-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC(C)CC3)C[C@H]21 ZINC001075620047 789579453 /nfs/dbraw/zinc/57/94/53/789579453.db2.gz XEWCUWLWJMNAJO-HRCADAONSA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC(C)CC3)C[C@H]21 ZINC001075620047 789579460 /nfs/dbraw/zinc/57/94/60/789579460.db2.gz XEWCUWLWJMNAJO-HRCADAONSA-N 1 1 332.448 0.937 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4ccon4)[C@@H]3C2)C1=O ZINC001075633835 789598887 /nfs/dbraw/zinc/59/88/87/789598887.db2.gz OSBVELVMQIVDEH-NUEKZKHPSA-N 1 1 344.415 0.537 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001075658562 789624469 /nfs/dbraw/zinc/62/44/69/789624469.db2.gz IHMVJCIOCZIJRV-PVXIVEMSSA-N 1 1 341.415 0.700 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001075658562 789624473 /nfs/dbraw/zinc/62/44/73/789624473.db2.gz IHMVJCIOCZIJRV-PVXIVEMSSA-N 1 1 341.415 0.700 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001075658641 789624551 /nfs/dbraw/zinc/62/45/51/789624551.db2.gz LYZQIPFDYFPNJO-CORIIIEPSA-N 1 1 329.404 0.509 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)COC)C(C)(C)C1 ZINC001073286754 789707038 /nfs/dbraw/zinc/70/70/38/789707038.db2.gz KILLPDDVXSODHY-LSDHHAIUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)COC)C(C)(C)C1 ZINC001073286754 789707047 /nfs/dbraw/zinc/70/70/47/789707047.db2.gz KILLPDDVXSODHY-LSDHHAIUSA-N 1 1 335.448 0.474 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2N(c2cnc(C#N)cn2)CC3)C1 ZINC001069265535 789716775 /nfs/dbraw/zinc/71/67/75/789716775.db2.gz CFQBEZAXXNMGFI-JCKWVBRZSA-N 1 1 340.431 0.918 20 30 ECEDMO C=CCN1CC[C@H](N2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073425530 789821112 /nfs/dbraw/zinc/82/11/12/789821112.db2.gz AANLQTBSYKUJPI-HOTGVXAUSA-N 1 1 346.475 0.259 20 30 ECEDMO C=CCN1CC[C@H](N2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073425530 789821122 /nfs/dbraw/zinc/82/11/22/789821122.db2.gz AANLQTBSYKUJPI-HOTGVXAUSA-N 1 1 346.475 0.259 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4ccn(C)n4)C3)C2)C1=O ZINC001073431429 789833225 /nfs/dbraw/zinc/83/32/25/789833225.db2.gz XYUVOTCSXSCHAI-HNNXBMFYSA-N 1 1 343.431 0.355 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC001073443265 789846935 /nfs/dbraw/zinc/84/69/35/789846935.db2.gz IAJPEBWKRQCDDM-AWEZNQCLSA-N 1 1 341.839 0.521 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC001073443265 789846940 /nfs/dbraw/zinc/84/69/40/789846940.db2.gz IAJPEBWKRQCDDM-AWEZNQCLSA-N 1 1 341.839 0.521 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001069473586 789848313 /nfs/dbraw/zinc/84/83/13/789848313.db2.gz NLUULHJPJVZJFY-ZIAGYGMSSA-N 1 1 339.403 0.672 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4nnc(C)n4C3)C2)C1 ZINC001073452847 789860835 /nfs/dbraw/zinc/86/08/35/789860835.db2.gz VMLSKZOVFZZNPJ-HNNXBMFYSA-N 1 1 327.432 0.707 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4nnc(C)n4C3)C2)C1 ZINC001073452893 789861152 /nfs/dbraw/zinc/86/11/52/789861152.db2.gz XERYJYNFRLAMKZ-HNNXBMFYSA-N 1 1 327.432 0.707 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3ccc(C#N)cn3)C(C)(C)C2)C1 ZINC001069545257 789890142 /nfs/dbraw/zinc/89/01/42/789890142.db2.gz HMFQOGWIWBTKIV-CABCVRRESA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3ccc(C#N)cn3)C(C)(C)C2)C1 ZINC001069545257 789890148 /nfs/dbraw/zinc/89/01/48/789890148.db2.gz HMFQOGWIWBTKIV-CABCVRRESA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H](Nc3ccc(C#N)nn3)C(C)(C)C2)C1 ZINC001069572400 789908036 /nfs/dbraw/zinc/90/80/36/789908036.db2.gz VBRHNOGFGZWAAF-JSGCOSHPSA-N 1 1 328.420 0.949 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H](Nc3cnc(C#N)cn3)C(C)(C)C2)C1 ZINC001069572206 789908229 /nfs/dbraw/zinc/90/82/29/789908229.db2.gz PCWKNOVHDDCZHH-JSGCOSHPSA-N 1 1 328.420 0.949 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](Nc3cncc(C#N)n3)C(C)(C)C2)C1 ZINC001069572607 789908731 /nfs/dbraw/zinc/90/87/31/789908731.db2.gz ZLTMAGHERDWGLT-OCCSQVGLSA-N 1 1 328.420 0.949 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](Nc3ccnc(C#N)n3)C(C)(C)C2)C1 ZINC001069578369 789914681 /nfs/dbraw/zinc/91/46/81/789914681.db2.gz UQVBOBUIAQCTMJ-ZIAGYGMSSA-N 1 1 342.447 0.761 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CC(Nc2cncc(C#N)n2)C1 ZINC001069743871 790002797 /nfs/dbraw/zinc/00/27/97/790002797.db2.gz PAYORGHAJQOGKB-UHFFFAOYSA-N 1 1 325.376 0.955 20 30 ECEDMO CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069802360 790042587 /nfs/dbraw/zinc/04/25/87/790042587.db2.gz FKWOTPQMCTWSOV-JXQTWKCFSA-N 1 1 328.420 0.656 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)c3cnnn3C)c2C1 ZINC001069859418 790110270 /nfs/dbraw/zinc/11/02/70/790110270.db2.gz TXJUYMXPDHEQAI-UHFFFAOYSA-N 1 1 329.408 0.723 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)c3cnnn3C)c2C1 ZINC001069859418 790110277 /nfs/dbraw/zinc/11/02/77/790110277.db2.gz TXJUYMXPDHEQAI-UHFFFAOYSA-N 1 1 329.408 0.723 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC[N@@H+]3CC#C)c2C1 ZINC001069863242 790117317 /nfs/dbraw/zinc/11/73/17/790117317.db2.gz FSSQGCGINSCZHQ-INIZCTEOSA-N 1 1 325.416 0.046 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC[N@H+]3CC#C)c2C1 ZINC001069863242 790117320 /nfs/dbraw/zinc/11/73/20/790117320.db2.gz FSSQGCGINSCZHQ-INIZCTEOSA-N 1 1 325.416 0.046 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C)[C@@H](n2ccnn2)C1 ZINC001069902737 790171535 /nfs/dbraw/zinc/17/15/35/790171535.db2.gz MFLRQIFYSZLBAA-PMPSAXMXSA-N 1 1 332.452 0.680 20 30 ECEDMO C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911706 790180576 /nfs/dbraw/zinc/18/05/76/790180576.db2.gz JVAAKGOWXPVIEM-GLQYFDAESA-N 1 1 345.382 0.881 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945064 790222948 /nfs/dbraw/zinc/22/29/48/790222948.db2.gz DENFMAVNRJMLJH-ZACQAIPSSA-N 1 1 346.479 0.784 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nnn2CC)[C@@H](n2ccnn2)C1 ZINC001069945803 790224646 /nfs/dbraw/zinc/22/46/46/790224646.db2.gz XEBBJDHGDXXVPG-KGLIPLIRSA-N 1 1 344.423 0.429 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001069952585 790233891 /nfs/dbraw/zinc/23/38/91/790233891.db2.gz UOMWNTXXSJIXNP-KGLIPLIRSA-N 1 1 330.417 0.342 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](n2ccnn2)C1 ZINC001069959138 790242175 /nfs/dbraw/zinc/24/21/75/790242175.db2.gz FZNRRTFTICSEEY-OAGGEKHMSA-N 1 1 332.452 0.680 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962445 790245937 /nfs/dbraw/zinc/24/59/37/790245937.db2.gz WNBVACMJWFINJI-ZNMIVQPWSA-N 1 1 341.419 0.265 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962445 790245939 /nfs/dbraw/zinc/24/59/39/790245939.db2.gz WNBVACMJWFINJI-ZNMIVQPWSA-N 1 1 341.419 0.265 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCn3nccc32)[C@@H](n2ccnn2)C1 ZINC001069964127 790249310 /nfs/dbraw/zinc/24/93/10/790249310.db2.gz WPVORYJPNIOPED-FMKPAKJESA-N 1 1 341.419 0.580 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCn3nccc32)[C@@H](n2ccnn2)C1 ZINC001069964127 790249315 /nfs/dbraw/zinc/24/93/15/790249315.db2.gz WPVORYJPNIOPED-FMKPAKJESA-N 1 1 341.419 0.580 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@@H](n2ccnn2)C1 ZINC001069966035 790253372 /nfs/dbraw/zinc/25/33/72/790253372.db2.gz SLACNIWMABTWBC-SJORKVTESA-N 1 1 338.415 0.969 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@@H](n2ccnn2)C1 ZINC001069966035 790253376 /nfs/dbraw/zinc/25/33/76/790253376.db2.gz SLACNIWMABTWBC-SJORKVTESA-N 1 1 338.415 0.969 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](Nc2nccnc2C#N)[C@H]1C ZINC001068862013 791289899 /nfs/dbraw/zinc/28/98/99/791289899.db2.gz QLZBKLRHOYSTBO-YPMHNXCESA-N 1 1 325.376 0.955 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068884898 791341461 /nfs/dbraw/zinc/34/14/61/791341461.db2.gz JSRCYKYKFAYMQN-RBSFLKMASA-N 1 1 335.448 0.779 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001068899506 791369292 /nfs/dbraw/zinc/36/92/92/791369292.db2.gz OCEHTRWZGXGLJS-HNNXBMFYSA-N 1 1 349.475 0.862 20 30 ECEDMO C[C@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001068972868 791528584 /nfs/dbraw/zinc/52/85/84/791528584.db2.gz DBFGJCSYOUPPDJ-GXTWGEPZSA-N 1 1 328.420 0.656 20 30 ECEDMO C=CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001069000541 791568002 /nfs/dbraw/zinc/56/80/02/791568002.db2.gz GPMDJDCTYGBOHO-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@@H]1COC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001069004731 791578002 /nfs/dbraw/zinc/57/80/02/791578002.db2.gz YYCGBNCNDRSKPM-STQMWFEESA-N 1 1 334.420 0.116 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@@H]1COC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001069004727 791578118 /nfs/dbraw/zinc/57/81/18/791578118.db2.gz YYCGBNCNDRSKPM-OLZOCXBDSA-N 1 1 334.420 0.116 20 30 ECEDMO C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119229 791720337 /nfs/dbraw/zinc/72/03/37/791720337.db2.gz PXYSBDCSNJDINT-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001066675878 791970291 /nfs/dbraw/zinc/97/02/91/791970291.db2.gz VSNWUGSAEKUJTM-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](CNc2nccnc2C#N)C1 ZINC001066691118 792001715 /nfs/dbraw/zinc/00/17/15/792001715.db2.gz LVAVAJHTFBUHQB-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@]1(C)CCOC1 ZINC001067709313 792165121 /nfs/dbraw/zinc/16/51/21/792165121.db2.gz NHSJADUUFVNBNS-QFBILLFUSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@]1(C)CCOC1 ZINC001067709313 792165124 /nfs/dbraw/zinc/16/51/24/792165124.db2.gz NHSJADUUFVNBNS-QFBILLFUSA-N 1 1 349.475 0.818 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)CSCC#N)C1 ZINC001066872941 792245438 /nfs/dbraw/zinc/24/54/38/792245438.db2.gz BTBWXLDIOWODMP-AWEZNQCLSA-N 1 1 340.493 0.892 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)C(=O)CSCC#N ZINC001066872964 792245495 /nfs/dbraw/zinc/24/54/95/792245495.db2.gz CBKFCCIXGBPHPI-UONOGXRCSA-N 1 1 340.493 0.748 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1CN(C)c1nccnc1C#N ZINC001067782384 792278628 /nfs/dbraw/zinc/27/86/28/792278628.db2.gz SWLGXJWMBKEVQP-AWEZNQCLSA-N 1 1 339.403 0.981 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2nccnc2C#N)C1 ZINC001066890918 792291938 /nfs/dbraw/zinc/29/19/38/792291938.db2.gz RZKJYIBSZTWKJT-PBHICJAKSA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2nccnc2C#N)C1 ZINC001066890921 792292066 /nfs/dbraw/zinc/29/20/66/792292066.db2.gz RZKJYIBSZTWKJT-YOEHRIQHSA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2cnc(C#N)cn2)C1 ZINC001066891176 792293665 /nfs/dbraw/zinc/29/36/65/792293665.db2.gz WLQQWQVHVLDZBL-WMLDXEAASA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(Nc3ccc(C#N)nc3)C2)C1 ZINC001066906711 792344056 /nfs/dbraw/zinc/34/40/56/792344056.db2.gz ZTLAHVIWIGWOME-KBXCAEBGSA-N 1 1 343.431 0.670 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H](C)OCC ZINC001066907634 792344574 /nfs/dbraw/zinc/34/45/74/792344574.db2.gz BWRHWDRIMLYIPL-CVEARBPZSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H](C)OCC ZINC001066907634 792344584 /nfs/dbraw/zinc/34/45/84/792344584.db2.gz BWRHWDRIMLYIPL-CVEARBPZSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@@H]1CCCO1 ZINC001066918951 792382765 /nfs/dbraw/zinc/38/27/65/792382765.db2.gz PKKKYOHXTPEBAW-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@@H]1CCCO1 ZINC001066918951 792382776 /nfs/dbraw/zinc/38/27/76/792382776.db2.gz PKKKYOHXTPEBAW-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCOC1 ZINC001066973379 792492615 /nfs/dbraw/zinc/49/26/15/792492615.db2.gz YHFGAVFAZXICJW-HOTGVXAUSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCOC1 ZINC001066973379 792492621 /nfs/dbraw/zinc/49/26/21/792492621.db2.gz YHFGAVFAZXICJW-HOTGVXAUSA-N 1 1 335.448 0.427 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001067011340 792575107 /nfs/dbraw/zinc/57/51/07/792575107.db2.gz MRHAFMAABUQYNR-CABCVRRESA-N 1 1 325.453 0.979 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)CC2(C)C)C1 ZINC001068102260 792673631 /nfs/dbraw/zinc/67/36/31/792673631.db2.gz LHHMLXNQWVFZEH-UONOGXRCSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)CC2(C)C)C1 ZINC001068102260 792673638 /nfs/dbraw/zinc/67/36/38/792673638.db2.gz LHHMLXNQWVFZEH-UONOGXRCSA-N 1 1 344.419 0.010 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC001067214313 792828580 /nfs/dbraw/zinc/82/85/80/792828580.db2.gz GXOXRBJRUYCSSN-CYBMUJFWSA-N 1 1 331.420 0.759 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001068348630 793097196 /nfs/dbraw/zinc/09/71/96/793097196.db2.gz VZAAXJWSKLKGAL-CABCVRRESA-N 1 1 335.448 0.590 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001067427075 793139495 /nfs/dbraw/zinc/13/94/95/793139495.db2.gz JCUQMHLAQUEUAY-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001067427340 793140566 /nfs/dbraw/zinc/14/05/66/793140566.db2.gz UVFGXHVXIHPUBS-HOTGVXAUSA-N 1 1 337.464 0.673 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001067427519 793140674 /nfs/dbraw/zinc/14/06/74/793140674.db2.gz JQXNKPPNHXHVPX-UHFFFAOYSA-N 1 1 337.464 0.818 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001068398843 793215463 /nfs/dbraw/zinc/21/54/63/793215463.db2.gz HAXWVMCHVDBRFW-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001267428689 837400304 /nfs/dbraw/zinc/40/03/04/837400304.db2.gz YFIKNUPJKGOWER-OKILXGFUSA-N 1 1 348.447 0.816 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC001267428689 837400307 /nfs/dbraw/zinc/40/03/07/837400307.db2.gz YFIKNUPJKGOWER-OKILXGFUSA-N 1 1 348.447 0.816 20 30 ECEDMO CCCN(C(=O)CN1CCOCC1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267454460 837438526 /nfs/dbraw/zinc/43/85/26/837438526.db2.gz NQEBPLSMSXUNBU-KRWDZBQOSA-N 1 1 337.464 0.281 20 30 ECEDMO CCCN(C(=O)CN1CCOCC1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267454460 837438534 /nfs/dbraw/zinc/43/85/34/837438534.db2.gz NQEBPLSMSXUNBU-KRWDZBQOSA-N 1 1 337.464 0.281 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cc(C)on2)C1 ZINC001267501434 837576502 /nfs/dbraw/zinc/57/65/02/837576502.db2.gz LEUOFUQMCKSPCZ-KBPBESRZSA-N 1 1 332.404 0.563 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cncnc2C)C1 ZINC001267509800 837599287 /nfs/dbraw/zinc/59/92/87/837599287.db2.gz WWKZWKDOFFIVIC-GJZGRUSLSA-N 1 1 345.447 0.918 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](CNC(=O)c1ccncn1)c1ccccc1 ZINC001267522915 837678209 /nfs/dbraw/zinc/67/82/09/837678209.db2.gz MXBKJVLIYZLBDT-MRXNPFEDSA-N 1 1 339.399 0.840 20 30 ECEDMO CCc1nnc(C[NH2+]CCN(CCO)C(=O)c2c[nH]c(C#N)c2)s1 ZINC001279694774 837681486 /nfs/dbraw/zinc/68/14/86/837681486.db2.gz CUEUWUJFJYIUSG-UHFFFAOYSA-N 1 1 348.432 0.525 20 30 ECEDMO CCCN(C(=O)Cc1nnc(C)o1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267538859 837722150 /nfs/dbraw/zinc/72/21/50/837722150.db2.gz DGFSAOVXWQNHNZ-OAHLLOKOSA-N 1 1 334.420 0.883 20 30 ECEDMO CCCN(C(=O)Cc1nnc(C)o1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267538859 837722153 /nfs/dbraw/zinc/72/21/53/837722153.db2.gz DGFSAOVXWQNHNZ-OAHLLOKOSA-N 1 1 334.420 0.883 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001267543383 837730760 /nfs/dbraw/zinc/73/07/60/837730760.db2.gz GLWIKORTDLLQMS-HNNXBMFYSA-N 1 1 328.416 0.669 20 30 ECEDMO CCCN(C(=O)[C@@H]1CCCC(=O)N1C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267549017 837749808 /nfs/dbraw/zinc/74/98/08/837749808.db2.gz QSUHZMCOPWQXMK-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO CCCN(C(=O)[C@@H]1CCCC(=O)N1C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267549017 837749812 /nfs/dbraw/zinc/74/98/12/837749812.db2.gz QSUHZMCOPWQXMK-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2cnn3cccnc23)C1 ZINC001267551145 837750813 /nfs/dbraw/zinc/75/08/13/837750813.db2.gz AKVRAZFNMPQGRP-OAHLLOKOSA-N 1 1 341.415 0.821 20 30 ECEDMO CC(C)SCC(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267552192 837756668 /nfs/dbraw/zinc/75/66/68/837756668.db2.gz VWFIBAOORNGMLB-ZDUSSCGKSA-N 1 1 326.466 0.596 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267553371 837757388 /nfs/dbraw/zinc/75/73/88/837757388.db2.gz FWIAILCVPHQQIM-ZIAGYGMSSA-N 1 1 341.415 0.466 20 30 ECEDMO CN(CC[N@H+]1CC[C@@H](CCNC(=O)C#CC2CC2)C1)S(C)(=O)=O ZINC001267555150 837762500 /nfs/dbraw/zinc/76/25/00/837762500.db2.gz DEEVJVKVRYJGDB-OAHLLOKOSA-N 1 1 341.477 0.119 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2ncccc2F)C1 ZINC001267563701 837777421 /nfs/dbraw/zinc/77/74/21/837777421.db2.gz DETSTPAKQWCGFA-ZDUSSCGKSA-N 1 1 347.394 0.231 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001267566907 837786083 /nfs/dbraw/zinc/78/60/83/837786083.db2.gz JTHVRGGBUNHTHP-ZDUSSCGKSA-N 1 1 331.482 0.719 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CCNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001267569672 837798375 /nfs/dbraw/zinc/79/83/75/837798375.db2.gz YZEPSARCFWNWKD-LSDHHAIUSA-N 1 1 331.420 0.390 20 30 ECEDMO C=C1CC(C)(C(=O)NCC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C2)C1 ZINC001267570315 837800840 /nfs/dbraw/zinc/80/08/40/837800840.db2.gz MKMSOUOROJTFKI-STQMWFEESA-N 1 1 336.436 0.754 20 30 ECEDMO CCO[C@H]1C[C@@H]1C(=O)N(C)CC[NH+]1CCN(CC#CCOC)CC1 ZINC001267574255 837821201 /nfs/dbraw/zinc/82/12/01/837821201.db2.gz ZWCJTAIXCWUWBA-IRXDYDNUSA-N 1 1 337.464 0.137 20 30 ECEDMO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1)N1CCCC1=O ZINC001266252080 835556903 /nfs/dbraw/zinc/55/69/03/835556903.db2.gz MFYYVXREGZJHHQ-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1)N1CCCC1=O ZINC001266252080 835556911 /nfs/dbraw/zinc/55/69/11/835556911.db2.gz MFYYVXREGZJHHQ-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO CC(=O)N[C@@H](C(=O)NCCC[NH+]1CCN(CC#N)CC1)C1CCCC1 ZINC001266267279 835584773 /nfs/dbraw/zinc/58/47/73/835584773.db2.gz WRKXGNPEOYZQSJ-QGZVFWFLSA-N 1 1 349.479 0.329 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)[C@H]2CCc3cncn3C2)CC1 ZINC001266267283 835585174 /nfs/dbraw/zinc/58/51/74/835585174.db2.gz WWWLQOAPDUVIIV-KRWDZBQOSA-N 1 1 343.475 0.593 20 30 ECEDMO C[N@@H+](CCNC(=O)C#CC(C)(C)C)CCN1C(=O)NC(C)(C)C1=O ZINC001266273443 835596042 /nfs/dbraw/zinc/59/60/42/835596042.db2.gz RJASYRAGBXBLKH-UHFFFAOYSA-N 1 1 336.436 0.414 20 30 ECEDMO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)s1)N1C(=O)CCC1=O ZINC001266280535 835608690 /nfs/dbraw/zinc/60/86/90/835608690.db2.gz JGDZDEBWQUSFFE-NSHDSACASA-N 1 1 348.428 0.705 20 30 ECEDMO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1)N1C(=O)CCC1=O ZINC001266280535 835608693 /nfs/dbraw/zinc/60/86/93/835608693.db2.gz JGDZDEBWQUSFFE-NSHDSACASA-N 1 1 348.428 0.705 20 30 ECEDMO O=C(C#CC1CC1)NCCN1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC001266283184 835614043 /nfs/dbraw/zinc/61/40/43/835614043.db2.gz HUMUSKZACVBWCQ-CQSZACIVSA-N 1 1 347.381 0.447 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)C[C@@H]2CCOC[C@H]2OCC)CC1 ZINC001266288040 835630613 /nfs/dbraw/zinc/63/06/13/835630613.db2.gz OYTKFVQMHBELND-DLBZAZTESA-N 1 1 337.464 0.185 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)COc2cc(F)cc(F)c2)CC1 ZINC001266297425 835646716 /nfs/dbraw/zinc/64/67/16/835646716.db2.gz QIVMVKRZNLEMLP-UHFFFAOYSA-N 1 1 337.370 0.711 20 30 ECEDMO N#CCSCC(=O)N[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001266301893 835662469 /nfs/dbraw/zinc/66/24/69/835662469.db2.gz FGGPWZPIDJAQMY-LBPRGKRZSA-N 1 1 327.841 0.984 20 30 ECEDMO N#CCSCC(=O)N[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001266301893 835662473 /nfs/dbraw/zinc/66/24/73/835662473.db2.gz FGGPWZPIDJAQMY-LBPRGKRZSA-N 1 1 327.841 0.984 20 30 ECEDMO O=C(C#CC1CC1)N[C@H]1CC[N@H+](C[C@H](O)COCC(F)(F)F)C1 ZINC001266320141 835690441 /nfs/dbraw/zinc/69/04/41/835690441.db2.gz ZQGNQUASWACEFB-STQMWFEESA-N 1 1 334.338 0.530 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001266320641 835692066 /nfs/dbraw/zinc/69/20/66/835692066.db2.gz CUUJMACUAKFPIQ-AWEZNQCLSA-N 1 1 330.432 0.753 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001266320641 835692071 /nfs/dbraw/zinc/69/20/71/835692071.db2.gz CUUJMACUAKFPIQ-AWEZNQCLSA-N 1 1 330.432 0.753 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266320932 835692976 /nfs/dbraw/zinc/69/29/76/835692976.db2.gz JBALOAFCXSWXGY-CABCVRRESA-N 1 1 347.463 0.889 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(COC)CCCCC2)C1 ZINC001266322949 835697980 /nfs/dbraw/zinc/69/79/80/835697980.db2.gz QPKHIUYYTJMMBB-JKSUJKDBSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(COC)CCCCC2)C1 ZINC001266322949 835697986 /nfs/dbraw/zinc/69/79/86/835697986.db2.gz QPKHIUYYTJMMBB-JKSUJKDBSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2nccc3occc32)C1 ZINC001266331448 835713670 /nfs/dbraw/zinc/71/36/70/835713670.db2.gz QKYPANXYROWLCM-STQMWFEESA-N 1 1 340.383 0.770 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2nccc3occc32)C1 ZINC001266331448 835713676 /nfs/dbraw/zinc/71/36/76/835713676.db2.gz QKYPANXYROWLCM-STQMWFEESA-N 1 1 340.383 0.770 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001266342395 835728573 /nfs/dbraw/zinc/72/85/73/835728573.db2.gz RNSCJFRRJQSEOB-GOEBONIOSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001266342395 835728581 /nfs/dbraw/zinc/72/85/81/835728581.db2.gz RNSCJFRRJQSEOB-GOEBONIOSA-N 1 1 343.493 0.815 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001266347713 835739733 /nfs/dbraw/zinc/73/97/33/835739733.db2.gz OSYMUQKYWFHJME-ZDUSSCGKSA-N 1 1 334.420 0.785 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001266347713 835739739 /nfs/dbraw/zinc/73/97/39/835739739.db2.gz OSYMUQKYWFHJME-ZDUSSCGKSA-N 1 1 334.420 0.785 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnn(C)c1C(F)F ZINC001266347785 835740282 /nfs/dbraw/zinc/74/02/82/835740282.db2.gz RFBJZCIMQBBIPY-SNVBAGLBSA-N 1 1 343.378 0.710 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn(C)c1C(F)F ZINC001266347785 835740289 /nfs/dbraw/zinc/74/02/89/835740289.db2.gz RFBJZCIMQBBIPY-SNVBAGLBSA-N 1 1 343.378 0.710 20 30 ECEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C[C@H](O)COC)C2)CCOCC1 ZINC001266356101 835760705 /nfs/dbraw/zinc/76/07/05/835760705.db2.gz QPWJEGXDXIDHCB-CABCVRRESA-N 1 1 326.437 0.557 20 30 ECEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266359520 835768429 /nfs/dbraw/zinc/76/84/29/835768429.db2.gz XVTQMQQPJOIOMB-CQSZACIVSA-N 1 1 336.436 0.817 20 30 ECEDMO C=CCNC(=O)CN1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001266373296 835786048 /nfs/dbraw/zinc/78/60/48/835786048.db2.gz ACSLWUPBMKRTJA-MRXNPFEDSA-N 1 1 348.491 0.744 20 30 ECEDMO C=CCNC(=O)CN1CCC2(C[C@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001266373296 835786060 /nfs/dbraw/zinc/78/60/60/835786060.db2.gz ACSLWUPBMKRTJA-MRXNPFEDSA-N 1 1 348.491 0.744 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1c(Cl)cnn1C ZINC001266391102 835799100 /nfs/dbraw/zinc/79/91/00/835799100.db2.gz ZHYKVWKDRMMTRY-NSHDSACASA-N 1 1 341.843 0.816 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1c(Cl)cnn1C ZINC001266391102 835799107 /nfs/dbraw/zinc/79/91/07/835799107.db2.gz ZHYKVWKDRMMTRY-NSHDSACASA-N 1 1 341.843 0.816 20 30 ECEDMO CC[N@@H+](CCCS(=O)(=O)N(C)C)CCNC(=O)C#CC(C)(C)C ZINC001266391023 835800273 /nfs/dbraw/zinc/80/02/73/835800273.db2.gz WMABFOOJHHUGFR-UHFFFAOYSA-N 1 1 345.509 0.756 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](CC)C[C@@H]1CCNC(=O)CC1 ZINC001266418057 835824309 /nfs/dbraw/zinc/82/43/09/835824309.db2.gz NLOZRWRLNLBRPZ-XHSDSOJGSA-N 1 1 337.464 0.932 20 30 ECEDMO CN(CCOCC[NH2+]Cc1nnc(C2CC2)[nH]1)C(=O)C#CC1CC1 ZINC001279408877 835850340 /nfs/dbraw/zinc/85/03/40/835850340.db2.gz LZOHMNJMEZCMNO-UHFFFAOYSA-N 1 1 331.420 0.660 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001266453114 835856456 /nfs/dbraw/zinc/85/64/56/835856456.db2.gz YERUOHDJGWFVBT-HOTGVXAUSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001266459034 835862506 /nfs/dbraw/zinc/86/25/06/835862506.db2.gz IQELWECEKKZEEE-CABCVRRESA-N 1 1 345.447 0.740 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1CCN(C)S(C)(=O)=O ZINC001266464967 835865180 /nfs/dbraw/zinc/86/51/80/835865180.db2.gz MEWMSZRBAMTWOT-AWEZNQCLSA-N 1 1 331.482 0.815 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CCN(C)S(C)(=O)=O ZINC001266464967 835865185 /nfs/dbraw/zinc/86/51/85/835865185.db2.gz MEWMSZRBAMTWOT-AWEZNQCLSA-N 1 1 331.482 0.815 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001266464239 835865355 /nfs/dbraw/zinc/86/53/55/835865355.db2.gz WLFAUBYXXUISAP-GFCCVEGCSA-N 1 1 339.417 0.344 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266465065 835866197 /nfs/dbraw/zinc/86/61/97/835866197.db2.gz NZHFFCKYGGYXAD-HRCADAONSA-N 1 1 336.480 0.600 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C1(C)CC1 ZINC001266465636 835867209 /nfs/dbraw/zinc/86/72/09/835867209.db2.gz YYRPPNFTNVMDAA-OLZOCXBDSA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(C)CC1 ZINC001266465636 835867212 /nfs/dbraw/zinc/86/72/12/835867212.db2.gz YYRPPNFTNVMDAA-OLZOCXBDSA-N 1 1 336.436 0.767 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001266471081 835873356 /nfs/dbraw/zinc/87/33/56/835873356.db2.gz HYMJUCNPUZDYND-INIZCTEOSA-N 1 1 330.432 0.992 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001266471081 835873362 /nfs/dbraw/zinc/87/33/62/835873362.db2.gz HYMJUCNPUZDYND-INIZCTEOSA-N 1 1 330.432 0.992 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)NC(=O)NC)C1 ZINC001266482952 835882321 /nfs/dbraw/zinc/88/23/21/835882321.db2.gz LGTVUGPQTSIMDK-CHWSQXEVSA-N 1 1 336.436 0.767 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)NC(=O)NC)C1 ZINC001266482952 835882330 /nfs/dbraw/zinc/88/23/30/835882330.db2.gz LGTVUGPQTSIMDK-CHWSQXEVSA-N 1 1 336.436 0.767 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCc1csc(C)n1 ZINC001266485579 835885516 /nfs/dbraw/zinc/88/55/16/835885516.db2.gz FHBGKDZMNWJFAQ-HNNXBMFYSA-N 1 1 348.472 0.714 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1csc(C)n1 ZINC001266485579 835885523 /nfs/dbraw/zinc/88/55/23/835885523.db2.gz FHBGKDZMNWJFAQ-HNNXBMFYSA-N 1 1 348.472 0.714 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001266492508 835893766 /nfs/dbraw/zinc/89/37/66/835893766.db2.gz QJFXZCNLPMIJMO-QWHCGFSZSA-N 1 1 349.410 0.200 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001266492508 835893772 /nfs/dbraw/zinc/89/37/72/835893772.db2.gz QJFXZCNLPMIJMO-QWHCGFSZSA-N 1 1 349.410 0.200 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001266511026 835918041 /nfs/dbraw/zinc/91/80/41/835918041.db2.gz IKZMSEOCKKKGIO-HOTGVXAUSA-N 1 1 340.489 0.909 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC001266511674 835920015 /nfs/dbraw/zinc/92/00/15/835920015.db2.gz OYWHSWZXGZCJIB-KRWDZBQOSA-N 1 1 342.443 0.939 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001266513541 835923685 /nfs/dbraw/zinc/92/36/85/835923685.db2.gz BKIIJJBQRHMEFN-HUUCEWRRSA-N 1 1 330.432 0.806 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001266513541 835923690 /nfs/dbraw/zinc/92/36/90/835923690.db2.gz BKIIJJBQRHMEFN-HUUCEWRRSA-N 1 1 330.432 0.806 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2ccncc2C)C1 ZINC001266514238 835925919 /nfs/dbraw/zinc/92/59/19/835925919.db2.gz OAJGHQLTQZCQEA-JKSUJKDBSA-N 1 1 342.443 0.509 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ncc(F)cc2F)C1 ZINC001266519968 835931820 /nfs/dbraw/zinc/93/18/20/835931820.db2.gz CIPYRBHGHXBDIZ-JTQLQIEISA-N 1 1 337.330 0.051 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ncc(F)cc2F)C1 ZINC001266519968 835931824 /nfs/dbraw/zinc/93/18/24/835931824.db2.gz CIPYRBHGHXBDIZ-JTQLQIEISA-N 1 1 337.330 0.051 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]nc2CCC)C1 ZINC001266519934 835932240 /nfs/dbraw/zinc/93/22/40/835932240.db2.gz BTRJSYCAXBMOBS-CYBMUJFWSA-N 1 1 333.436 0.716 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001266523529 835938522 /nfs/dbraw/zinc/93/85/22/835938522.db2.gz PUPJDHXXNQPEPR-AWEZNQCLSA-N 1 1 345.399 0.058 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C2(COC)CCC2)C1 ZINC001266523440 835938550 /nfs/dbraw/zinc/93/85/50/835938550.db2.gz NPMFQSZQSHXUKS-LSDHHAIUSA-N 1 1 335.448 0.379 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ocnc2C2CC2)C1 ZINC001266535467 835953935 /nfs/dbraw/zinc/95/39/35/835953935.db2.gz ZWIXPORRUDODBE-NSHDSACASA-N 1 1 331.376 0.243 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ocnc2C2CC2)C1 ZINC001266535467 835953939 /nfs/dbraw/zinc/95/39/39/835953939.db2.gz ZWIXPORRUDODBE-NSHDSACASA-N 1 1 331.376 0.243 20 30 ECEDMO Cc1sccc1CC(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266536965 835955864 /nfs/dbraw/zinc/95/58/64/835955864.db2.gz BQXHYTTWKFMEBJ-CYBMUJFWSA-N 1 1 334.445 0.677 20 30 ECEDMO Cc1sccc1CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266536965 835955866 /nfs/dbraw/zinc/95/58/66/835955866.db2.gz BQXHYTTWKFMEBJ-CYBMUJFWSA-N 1 1 334.445 0.677 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001266539595 835960357 /nfs/dbraw/zinc/96/03/57/835960357.db2.gz FEIRLEKCXRUGEL-HUUCEWRRSA-N 1 1 347.463 0.954 20 30 ECEDMO C=CCCOCC(=O)NC[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001266551202 835977720 /nfs/dbraw/zinc/97/77/20/835977720.db2.gz NLZRAUNRDAEAHD-CABCVRRESA-N 1 1 344.477 0.452 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)c1ccc2n[nH]nc2n1 ZINC001266562428 835990719 /nfs/dbraw/zinc/99/07/19/835990719.db2.gz BAFJYTXKMBBZMD-UHFFFAOYSA-N 1 1 330.392 0.445 20 30 ECEDMO CCC[N@H+](CCNC(=O)[C@@H]1Cc2ccccc21)CC(=O)NCC#N ZINC001266568795 835998576 /nfs/dbraw/zinc/99/85/76/835998576.db2.gz SVDWSRYQTNTRGL-MRXNPFEDSA-N 1 1 328.416 0.794 20 30 ECEDMO CCC[N@@H+](CCNC(=O)[C@@H]1Cc2ccccc21)CC(=O)NCC#N ZINC001266568795 835998584 /nfs/dbraw/zinc/99/85/84/835998584.db2.gz SVDWSRYQTNTRGL-MRXNPFEDSA-N 1 1 328.416 0.794 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)CCOCC[NH2+]Cc2nncn2C)c1 ZINC001279443614 836013065 /nfs/dbraw/zinc/01/30/65/836013065.db2.gz YKGKPXVDRQYOEU-UHFFFAOYSA-N 1 1 342.403 0.070 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)Cc1cn2c(n1)CCCC2)C1CC1 ZINC001266592644 836023241 /nfs/dbraw/zinc/02/32/41/836023241.db2.gz XJADEDGIJXQFKI-UHFFFAOYSA-N 1 1 344.459 0.992 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(C)nnc1CC)C1CC1 ZINC001266600422 836034215 /nfs/dbraw/zinc/03/42/15/836034215.db2.gz ULMIQCNFDJAHNW-UHFFFAOYSA-N 1 1 343.431 0.291 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cc(C)nnc1CC)C1CC1 ZINC001266600422 836034223 /nfs/dbraw/zinc/03/42/23/836034223.db2.gz ULMIQCNFDJAHNW-UHFFFAOYSA-N 1 1 343.431 0.291 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC2)C1 ZINC001266656292 836091492 /nfs/dbraw/zinc/09/14/92/836091492.db2.gz RLRLWEYCWBMJEH-LSDHHAIUSA-N 1 1 348.447 0.721 20 30 ECEDMO Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)NCC#N)CC[C@H]32)on1 ZINC001266656541 836093145 /nfs/dbraw/zinc/09/31/45/836093145.db2.gz XRSJVUWYMGLICP-UONOGXRCSA-N 1 1 345.403 0.549 20 30 ECEDMO Cc1cc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NCC#N)CC[C@H]32)on1 ZINC001266656541 836093156 /nfs/dbraw/zinc/09/31/56/836093156.db2.gz XRSJVUWYMGLICP-UONOGXRCSA-N 1 1 345.403 0.549 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c(=O)cn2)C1 ZINC001266659145 836096487 /nfs/dbraw/zinc/09/64/87/836096487.db2.gz NCCUYWCIMPYDGW-HOCLYGCPSA-N 1 1 344.415 0.346 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COCCC)C1 ZINC001266659362 836096579 /nfs/dbraw/zinc/09/65/79/836096579.db2.gz OCQBYHPLOPCLKM-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO N#CCSCC(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001266739790 836223459 /nfs/dbraw/zinc/22/34/59/836223459.db2.gz DMRHRXGINKEGOJ-UONOGXRCSA-N 1 1 348.476 0.850 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2c(C)ccn2C)C1 ZINC001266747307 836235137 /nfs/dbraw/zinc/23/51/37/836235137.db2.gz PLLFORDDHRNERE-HZPDHXFCSA-N 1 1 344.459 0.913 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001266752013 836244180 /nfs/dbraw/zinc/24/41/80/836244180.db2.gz MLAOWYYKPAJOBJ-CQSZACIVSA-N 1 1 333.436 0.473 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC001266754303 836248707 /nfs/dbraw/zinc/24/87/07/836248707.db2.gz AFDXXEVQQJOVDQ-AWEZNQCLSA-N 1 1 346.431 0.834 20 30 ECEDMO Cc1nc(C)c(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001266760231 836259379 /nfs/dbraw/zinc/25/93/79/836259379.db2.gz AIRJEXBZKAEWLX-CYBMUJFWSA-N 1 1 332.408 0.108 20 30 ECEDMO Cc1nc(C)c(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001266760231 836259393 /nfs/dbraw/zinc/25/93/93/836259393.db2.gz AIRJEXBZKAEWLX-CYBMUJFWSA-N 1 1 332.408 0.108 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)CN(C)CC(=O)NC(C)C ZINC001266843696 836371992 /nfs/dbraw/zinc/37/19/92/836371992.db2.gz AGORRGRMYARBCC-INIZCTEOSA-N 1 1 336.480 0.437 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C1=NC(=O)N(C)C1 ZINC001266875918 836422932 /nfs/dbraw/zinc/42/29/32/836422932.db2.gz CFTBBOHPVAHLOL-OLZOCXBDSA-N 1 1 349.435 0.401 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCNS(C)(=O)=O)C1 ZINC001266891906 836440081 /nfs/dbraw/zinc/44/00/81/836440081.db2.gz RZZYNTXSZMTVHY-ZIAGYGMSSA-N 1 1 329.466 0.166 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2cc[nH]n2)C1 ZINC001266895009 836444923 /nfs/dbraw/zinc/44/49/23/836444923.db2.gz YJQUOEZHICATQV-ZIAGYGMSSA-N 1 1 333.436 0.471 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCCCS(N)(=O)=O)C1 ZINC001266898288 836450583 /nfs/dbraw/zinc/45/05/83/836450583.db2.gz ULLOBHGCVJWSGQ-LSDHHAIUSA-N 1 1 343.493 0.685 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1nonc1C ZINC001266994375 836579810 /nfs/dbraw/zinc/57/98/10/836579810.db2.gz MLLDHRBPXUXJIH-JTQLQIEISA-N 1 1 338.412 0.236 20 30 ECEDMO C[C@@H](CNC(=O)CC#Cc1ccccc1)[NH2+][C@@H](C)c1nnnn1C ZINC001266996848 836582555 /nfs/dbraw/zinc/58/25/55/836582555.db2.gz JUFYBINRZYBTLO-KBPBESRZSA-N 1 1 326.404 0.807 20 30 ECEDMO C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001267001587 836593198 /nfs/dbraw/zinc/59/31/98/836593198.db2.gz SRQLXYQBUUETBQ-JKSUJKDBSA-N 1 1 334.464 0.048 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001267041018 836666247 /nfs/dbraw/zinc/66/62/47/836666247.db2.gz JXRQCTCDJPNSJR-ZIAGYGMSSA-N 1 1 343.431 0.017 20 30 ECEDMO CCCSCC(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267100546 836770881 /nfs/dbraw/zinc/77/08/81/836770881.db2.gz LFAOUAIVFIJXSI-ZDUSSCGKSA-N 1 1 326.466 0.692 20 30 ECEDMO CCCSCC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267100546 836770889 /nfs/dbraw/zinc/77/08/89/836770889.db2.gz LFAOUAIVFIJXSI-ZDUSSCGKSA-N 1 1 326.466 0.692 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnns2)C1 ZINC001267100590 836771630 /nfs/dbraw/zinc/77/16/30/836771630.db2.gz LMYGNPXTCLPWAZ-NWDGAFQWSA-N 1 1 335.433 0.212 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CCOCC2CC2)C1 ZINC001267106014 836786806 /nfs/dbraw/zinc/78/68/06/836786806.db2.gz NYMIKQXFZZCYLK-RDJZCZTQSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267108387 836790756 /nfs/dbraw/zinc/79/07/56/836790756.db2.gz OKTZADUTPIOEPS-GJZGRUSLSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(OC)o2)C1 ZINC001267113732 836804115 /nfs/dbraw/zinc/80/41/15/836804115.db2.gz RFJWEWDOZWGBHH-KBPBESRZSA-N 1 1 347.415 0.963 20 30 ECEDMO COCCC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267114301 836805121 /nfs/dbraw/zinc/80/51/21/836805121.db2.gz ZWCCOZXIQKJMAI-AWEZNQCLSA-N 1 1 338.452 0.612 20 30 ECEDMO COCCC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267114301 836805131 /nfs/dbraw/zinc/80/51/31/836805131.db2.gz ZWCCOZXIQKJMAI-AWEZNQCLSA-N 1 1 338.452 0.612 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC001267115729 836809780 /nfs/dbraw/zinc/80/97/80/836809780.db2.gz YXBSCADSBLXGRU-MRXNPFEDSA-N 1 1 346.406 0.931 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC001267115729 836809790 /nfs/dbraw/zinc/80/97/90/836809790.db2.gz YXBSCADSBLXGRU-MRXNPFEDSA-N 1 1 346.406 0.931 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001267142695 836842501 /nfs/dbraw/zinc/84/25/01/836842501.db2.gz VXUFHEKYZQMSOQ-NEPJUHHUSA-N 1 1 334.424 0.011 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C2(c3ccccn3)CC2)C1=O ZINC001267195807 836959925 /nfs/dbraw/zinc/95/99/25/836959925.db2.gz OZCQMYIQMWDWKX-OAHLLOKOSA-N 1 1 342.443 0.948 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C2(c3ccccn3)CC2)C1=O ZINC001267195807 836959936 /nfs/dbraw/zinc/95/99/36/836959936.db2.gz OZCQMYIQMWDWKX-OAHLLOKOSA-N 1 1 342.443 0.948 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C(F)F)nc1 ZINC001267198975 836967422 /nfs/dbraw/zinc/96/74/22/836967422.db2.gz FJLQMWWYJWVFEL-NSHDSACASA-N 1 1 338.358 0.819 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C(F)F)nc1 ZINC001267198975 836967426 /nfs/dbraw/zinc/96/74/26/836967426.db2.gz FJLQMWWYJWVFEL-NSHDSACASA-N 1 1 338.358 0.819 20 30 ECEDMO COCC#CCN(C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001267202631 836980147 /nfs/dbraw/zinc/98/01/47/836980147.db2.gz DVFFUXHHNVJRTP-UHFFFAOYSA-N 1 1 325.453 0.043 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1cnn(-c2ccccc2)n1 ZINC001267229457 837028825 /nfs/dbraw/zinc/02/88/25/837028825.db2.gz NREQYGQXQIXZHP-UHFFFAOYSA-N 1 1 327.388 0.579 20 30 ECEDMO CNC(=O)Nc1ccc(C(=O)NCC[N@@H+](C)CC#CCOC)cc1 ZINC001267232751 837037595 /nfs/dbraw/zinc/03/75/95/837037595.db2.gz LSBJJBHMTWJCLR-UHFFFAOYSA-N 1 1 332.404 0.749 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2cccc(=O)[nH]2)C1=O ZINC001267237171 837043588 /nfs/dbraw/zinc/04/35/88/837043588.db2.gz CCGLMKREJVUBQE-CQSZACIVSA-N 1 1 332.404 0.626 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC(C)C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001267241513 837049706 /nfs/dbraw/zinc/04/97/06/837049706.db2.gz ZTEYNXNPOWMGNU-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC(C)C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001267241513 837049713 /nfs/dbraw/zinc/04/97/13/837049713.db2.gz ZTEYNXNPOWMGNU-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ocnc1C(F)F)CC(=O)NCC#N ZINC001267250377 837069297 /nfs/dbraw/zinc/06/92/97/837069297.db2.gz MQVVMZVVSCVWHM-UHFFFAOYSA-N 1 1 329.307 0.304 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ocnc1C(F)F)CC(=O)NCC#N ZINC001267250377 837069303 /nfs/dbraw/zinc/06/93/03/837069303.db2.gz MQVVMZVVSCVWHM-UHFFFAOYSA-N 1 1 329.307 0.304 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1ccc(NC(C)=O)cc1 ZINC001267255279 837075170 /nfs/dbraw/zinc/07/51/70/837075170.db2.gz DKVMSVIKGLFUDC-UHFFFAOYSA-N 1 1 344.415 0.446 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ccc(NC(C)=O)cc1 ZINC001267255279 837075176 /nfs/dbraw/zinc/07/51/76/837075176.db2.gz DKVMSVIKGLFUDC-UHFFFAOYSA-N 1 1 344.415 0.446 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cccnc1N(C)C ZINC001267255668 837078923 /nfs/dbraw/zinc/07/89/23/837078923.db2.gz AGOUUNMOHGGHLP-AWEZNQCLSA-N 1 1 345.447 0.337 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cccnc1N(C)C ZINC001267255668 837078929 /nfs/dbraw/zinc/07/89/29/837078929.db2.gz AGOUUNMOHGGHLP-AWEZNQCLSA-N 1 1 345.447 0.337 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1scnc1Cl ZINC001267256149 837081734 /nfs/dbraw/zinc/08/17/34/837081734.db2.gz LITFVUOFVCUPLO-UHFFFAOYSA-N 1 1 328.825 0.598 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1scnc1Cl ZINC001267256149 837081745 /nfs/dbraw/zinc/08/17/45/837081745.db2.gz LITFVUOFVCUPLO-UHFFFAOYSA-N 1 1 328.825 0.598 20 30 ECEDMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001267268176 837107115 /nfs/dbraw/zinc/10/71/15/837107115.db2.gz WYCZJEDOTBJCFF-INIZCTEOSA-N 1 1 342.378 0.445 20 30 ECEDMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001267268176 837107119 /nfs/dbraw/zinc/10/71/19/837107119.db2.gz WYCZJEDOTBJCFF-INIZCTEOSA-N 1 1 342.378 0.445 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cncs1 ZINC001267271272 837112466 /nfs/dbraw/zinc/11/24/66/837112466.db2.gz RZULMZKORPIMPQ-QWHCGFSZSA-N 1 1 336.461 0.957 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1cncs1 ZINC001267271272 837112469 /nfs/dbraw/zinc/11/24/69/837112469.db2.gz RZULMZKORPIMPQ-QWHCGFSZSA-N 1 1 336.461 0.957 20 30 ECEDMO CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@@H]1CCC[N@H+]1CC#CCOC ZINC001267281340 837128742 /nfs/dbraw/zinc/12/87/42/837128742.db2.gz GYJMXDRRNORXHF-XIRDDKMYSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cncnc1CC ZINC001267281622 837128875 /nfs/dbraw/zinc/12/88/75/837128875.db2.gz KQVQIPXXQKCEDV-ZIAGYGMSSA-N 1 1 343.431 0.371 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cncnc1CC ZINC001267281622 837128881 /nfs/dbraw/zinc/12/88/81/837128881.db2.gz KQVQIPXXQKCEDV-ZIAGYGMSSA-N 1 1 343.431 0.371 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC=C)C1 ZINC001267292213 837145170 /nfs/dbraw/zinc/14/51/70/837145170.db2.gz UWUDHUNSVQOBOC-AWEZNQCLSA-N 1 1 334.420 0.240 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001267293411 837147666 /nfs/dbraw/zinc/14/76/66/837147666.db2.gz RYHGDGYGYVUSJF-HZPDHXFCSA-N 1 1 349.475 0.627 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2c(Cl)cnn2C)C1 ZINC001267293429 837147848 /nfs/dbraw/zinc/14/78/48/837147848.db2.gz SGJUNXBYLKVHFR-LLVKDONJSA-N 1 1 339.827 0.427 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001267296400 837150690 /nfs/dbraw/zinc/15/06/90/837150690.db2.gz MWYGBUHUNJSXGB-GFCCVEGCSA-N 1 1 330.392 0.607 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001267296227 837154657 /nfs/dbraw/zinc/15/46/57/837154657.db2.gz JHIFOCIRYXVHNX-SJORKVTESA-N 1 1 344.459 0.842 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001267297069 837156732 /nfs/dbraw/zinc/15/67/32/837156732.db2.gz AGEVZXMVCZOTGG-HYVNUMGLSA-N 1 1 349.475 0.789 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2cncc(C)c2)C1 ZINC001267298944 837161064 /nfs/dbraw/zinc/16/10/64/837161064.db2.gz UCJUYSMEFCDYLF-CVEARBPZSA-N 1 1 342.443 0.509 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2[nH]nnc2C)C1 ZINC001267299621 837162729 /nfs/dbraw/zinc/16/27/29/837162729.db2.gz ZKMGWGZVCZMJAH-CQSZACIVSA-N 1 1 348.451 0.589 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001267298743 837162802 /nfs/dbraw/zinc/16/28/02/837162802.db2.gz RPWYRONTIAYDQY-NSHDSACASA-N 1 1 345.428 0.921 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001267298743 837162808 /nfs/dbraw/zinc/16/28/08/837162808.db2.gz RPWYRONTIAYDQY-NSHDSACASA-N 1 1 345.428 0.921 20 30 ECEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+](CCNS(=O)(=O)CC)C2)C1 ZINC001267303209 837169579 /nfs/dbraw/zinc/16/95/79/837169579.db2.gz WEPAZIUKUQBQNT-CQSZACIVSA-N 1 1 343.493 0.720 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2sc(C)cc2OC)C1 ZINC001267303553 837170756 /nfs/dbraw/zinc/17/07/56/837170756.db2.gz OILRPGUHHFYRFK-ZDUSSCGKSA-N 1 1 349.456 0.866 20 30 ECEDMO CCC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)Cn1ncnn1 ZINC001267314538 837191189 /nfs/dbraw/zinc/19/11/89/837191189.db2.gz QSNRYCWVEQLQPG-UHFFFAOYSA-N 1 1 344.394 0.692 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)[C@@]1(F)CCOC1 ZINC001267317081 837193354 /nfs/dbraw/zinc/19/33/54/837193354.db2.gz NNRPSNMJONDUIA-XJKSGUPXSA-N 1 1 327.400 0.081 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCC)CCNC(=O)c2ccncn2)C1=O ZINC001267317842 837193642 /nfs/dbraw/zinc/19/36/42/837193642.db2.gz ATHLCEQFBCISLY-HNNXBMFYSA-N 1 1 331.420 0.705 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](CC(=O)N2CCC2)C2CC2)c1 ZINC001267333128 837214669 /nfs/dbraw/zinc/21/46/69/837214669.db2.gz WSBUJQXSFABLAE-UHFFFAOYSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CC(=O)N2CCC2)C2CC2)c1 ZINC001267333128 837214677 /nfs/dbraw/zinc/21/46/77/837214677.db2.gz WSBUJQXSFABLAE-UHFFFAOYSA-N 1 1 326.400 0.489 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)[C@@H](C)c1cccnc1)C1CC1 ZINC001267336040 837219085 /nfs/dbraw/zinc/21/90/85/837219085.db2.gz GWTVODSFMVNALL-AWEZNQCLSA-N 1 1 328.416 0.515 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)[C@@H](C)c1cccnc1)C1CC1 ZINC001267336040 837219076 /nfs/dbraw/zinc/21/90/76/837219076.db2.gz GWTVODSFMVNALL-AWEZNQCLSA-N 1 1 328.416 0.515 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1c(C)nn(C)c1F)C1CC1 ZINC001267337036 837220101 /nfs/dbraw/zinc/22/01/01/837220101.db2.gz DPNITLWVMPWPSH-LBPRGKRZSA-N 1 1 349.410 0.200 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1c(C)nn(C)c1F)C1CC1 ZINC001267337036 837220112 /nfs/dbraw/zinc/22/01/12/837220112.db2.gz DPNITLWVMPWPSH-LBPRGKRZSA-N 1 1 349.410 0.200 20 30 ECEDMO CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)C#CC1CC1)c1ccccc1 ZINC001267357912 837246511 /nfs/dbraw/zinc/24/65/11/837246511.db2.gz UCXDEZRLRAHUSQ-OAHLLOKOSA-N 1 1 342.399 0.303 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC001267358144 837246978 /nfs/dbraw/zinc/24/69/78/837246978.db2.gz XGLIZBZWNNVQMQ-CQSZACIVSA-N 1 1 344.415 0.678 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](C[N@@H+](C)C[C@H](O)Cn2cccn2)C1 ZINC001267580872 837841629 /nfs/dbraw/zinc/84/16/29/837841629.db2.gz FZRLNCDWIJVGGG-SJORKVTESA-N 1 1 332.448 0.828 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](C[N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001267580772 837841733 /nfs/dbraw/zinc/84/17/33/837841733.db2.gz CNJIGWWJRLQQDE-CQSZACIVSA-N 1 1 334.420 0.122 20 30 ECEDMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001267583025 837851093 /nfs/dbraw/zinc/85/10/93/837851093.db2.gz NBXLQUSETIHGQD-OLZOCXBDSA-N 1 1 336.436 0.400 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccncn2)C1 ZINC001267583802 837852656 /nfs/dbraw/zinc/85/26/56/837852656.db2.gz SGSWDLUGMKBWIX-KGLIPLIRSA-N 1 1 331.420 0.609 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001267584534 837856410 /nfs/dbraw/zinc/85/64/10/837856410.db2.gz FOLJXTPYFIGRMZ-OAHLLOKOSA-N 1 1 348.447 0.983 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(CCC)c2)C1 ZINC001267589393 837874364 /nfs/dbraw/zinc/87/43/64/837874364.db2.gz JRDIXEUNMYIBMG-HNNXBMFYSA-N 1 1 347.463 0.989 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001267597557 837904256 /nfs/dbraw/zinc/90/42/56/837904256.db2.gz YCAYVGQJEONQAQ-KGLIPLIRSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CCC[N@H+](C)CC1CCN(C(=O)CS(=O)(=O)CCOC)CC1 ZINC001267601546 837922471 /nfs/dbraw/zinc/92/24/71/837922471.db2.gz OOGKYDLPXZAGII-UHFFFAOYSA-N 1 1 344.477 0.241 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001267602769 837927735 /nfs/dbraw/zinc/92/77/35/837927735.db2.gz GPDRMWBCEMELFJ-KRWDZBQOSA-N 1 1 339.411 0.035 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)CC(C)(F)F)CC1 ZINC001267603459 837930395 /nfs/dbraw/zinc/93/03/95/837930395.db2.gz SFZZQQIKXWIOTK-UHFFFAOYSA-N 1 1 329.391 0.952 20 30 ECEDMO CN(CCN1CC[NH+](CCOCCO)CC1)C(=O)C#CC(C)(C)C ZINC001267607458 837950724 /nfs/dbraw/zinc/95/07/24/837950724.db2.gz JIXNUQSZOKZZOI-UHFFFAOYSA-N 1 1 339.480 0.121 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001267611631 837975536 /nfs/dbraw/zinc/97/55/36/837975536.db2.gz CPNWIQQORGKOTB-GXTWGEPZSA-N 1 1 329.404 0.771 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001267611631 837975543 /nfs/dbraw/zinc/97/55/43/837975543.db2.gz CPNWIQQORGKOTB-GXTWGEPZSA-N 1 1 329.404 0.771 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001267615288 837993553 /nfs/dbraw/zinc/99/35/53/837993553.db2.gz LFBLDMNAJVCXLH-GDBMZVCRSA-N 1 1 347.463 0.542 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001267615288 837993559 /nfs/dbraw/zinc/99/35/59/837993559.db2.gz LFBLDMNAJVCXLH-GDBMZVCRSA-N 1 1 347.463 0.542 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)N(CC)CC)C1 ZINC001267615309 837996232 /nfs/dbraw/zinc/99/62/32/837996232.db2.gz LZYBWKLYBYQVKK-SJORKVTESA-N 1 1 348.491 0.533 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)N(CC)CC)C1 ZINC001267615309 837996234 /nfs/dbraw/zinc/99/62/34/837996234.db2.gz LZYBWKLYBYQVKK-SJORKVTESA-N 1 1 348.491 0.533 20 30 ECEDMO C#CCCN1CCN(CCN(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001267619152 838051031 /nfs/dbraw/zinc/05/10/31/838051031.db2.gz ZDJGBBAGLBROQJ-UHFFFAOYSA-N 1 1 334.508 0.962 20 30 ECEDMO C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001267621997 838061609 /nfs/dbraw/zinc/06/16/09/838061609.db2.gz GVDNAIXYJOOURJ-LSDHHAIUSA-N 1 1 333.436 0.624 20 30 ECEDMO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001267629099 838084314 /nfs/dbraw/zinc/08/43/14/838084314.db2.gz MTUYMSPTAQFLLU-HNNXBMFYSA-N 1 1 348.447 0.703 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(=O)NCC=C)C1 ZINC001267646031 838131193 /nfs/dbraw/zinc/13/11/93/838131193.db2.gz KBSXTGOVXYNPGV-HNNXBMFYSA-N 1 1 348.447 0.582 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CCOC[C@@H]2CCCO2)C1 ZINC001267649636 838142088 /nfs/dbraw/zinc/14/20/88/838142088.db2.gz UHVFQHXTSVBDEC-IRXDYDNUSA-N 1 1 335.448 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCOC[C@@H]2CCCO2)C1 ZINC001267649636 838142095 /nfs/dbraw/zinc/14/20/95/838142095.db2.gz UHVFQHXTSVBDEC-IRXDYDNUSA-N 1 1 335.448 0.080 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001267665816 838189954 /nfs/dbraw/zinc/18/99/54/838189954.db2.gz LZZXFDQUSKJFQJ-OAHLLOKOSA-N 1 1 348.447 0.860 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001267683056 838243977 /nfs/dbraw/zinc/24/39/77/838243977.db2.gz IYVMZLNLXHIJEL-OAGGEKHMSA-N 1 1 335.448 0.318 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001267699081 838293989 /nfs/dbraw/zinc/29/39/89/838293989.db2.gz LQFUTGWZUMTODA-UHFFFAOYSA-N 1 1 327.388 0.578 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001267705681 838310496 /nfs/dbraw/zinc/31/04/96/838310496.db2.gz JDZNSDNGXYJDJB-ULQDDVLXSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001267705681 838310503 /nfs/dbraw/zinc/31/05/03/838310503.db2.gz JDZNSDNGXYJDJB-ULQDDVLXSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001267711794 838328940 /nfs/dbraw/zinc/32/89/40/838328940.db2.gz GGAQJUIQYKCETF-HRCADAONSA-N 1 1 335.448 0.611 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001267711794 838328944 /nfs/dbraw/zinc/32/89/44/838328944.db2.gz GGAQJUIQYKCETF-HRCADAONSA-N 1 1 335.448 0.611 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001267722221 838374780 /nfs/dbraw/zinc/37/47/80/838374780.db2.gz ATRAZPLWCLRZBJ-KBPBESRZSA-N 1 1 330.450 0.204 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001267722221 838374783 /nfs/dbraw/zinc/37/47/83/838374783.db2.gz ATRAZPLWCLRZBJ-KBPBESRZSA-N 1 1 330.450 0.204 20 30 ECEDMO C=CCOCCCC(=O)N[C@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267721571 838375743 /nfs/dbraw/zinc/37/57/43/838375743.db2.gz XDHHWVALTNHTGP-CABCVRRESA-N 1 1 344.477 0.594 20 30 ECEDMO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267721571 838375748 /nfs/dbraw/zinc/37/57/48/838375748.db2.gz XDHHWVALTNHTGP-CABCVRRESA-N 1 1 344.477 0.594 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001267723615 838378764 /nfs/dbraw/zinc/37/87/64/838378764.db2.gz GZHLEBTWIIIAHZ-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001267723615 838378772 /nfs/dbraw/zinc/37/87/72/838378772.db2.gz GZHLEBTWIIIAHZ-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001267724111 838384524 /nfs/dbraw/zinc/38/45/24/838384524.db2.gz TUPIJOMMRGIQJF-YPMHNXCESA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001267724111 838384528 /nfs/dbraw/zinc/38/45/28/838384528.db2.gz TUPIJOMMRGIQJF-YPMHNXCESA-N 1 1 342.403 0.453 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001267727475 838408228 /nfs/dbraw/zinc/40/82/28/838408228.db2.gz PFRABBRLNAQGDY-AWEZNQCLSA-N 1 1 343.387 0.529 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001267727475 838408231 /nfs/dbraw/zinc/40/82/31/838408231.db2.gz PFRABBRLNAQGDY-AWEZNQCLSA-N 1 1 343.387 0.529 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC001267732204 838423546 /nfs/dbraw/zinc/42/35/46/838423546.db2.gz IGRGXFKQPDOHJA-ZFWWWQNUSA-N 1 1 333.436 0.959 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC001267732204 838423550 /nfs/dbraw/zinc/42/35/50/838423550.db2.gz IGRGXFKQPDOHJA-ZFWWWQNUSA-N 1 1 333.436 0.959 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001267741467 838441845 /nfs/dbraw/zinc/44/18/45/838441845.db2.gz ZSVPUSRTJSMCGY-CQSZACIVSA-N 1 1 349.435 0.536 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001267741467 838441846 /nfs/dbraw/zinc/44/18/46/838441846.db2.gz ZSVPUSRTJSMCGY-CQSZACIVSA-N 1 1 349.435 0.536 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001267747968 838457099 /nfs/dbraw/zinc/45/70/99/838457099.db2.gz JESRFNHOIOUTEY-SWLSCSKDSA-N 1 1 339.399 0.505 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001267747968 838457102 /nfs/dbraw/zinc/45/71/02/838457102.db2.gz JESRFNHOIOUTEY-SWLSCSKDSA-N 1 1 339.399 0.505 20 30 ECEDMO O=C(CC#Cc1ccccc1)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001267754832 838478674 /nfs/dbraw/zinc/47/86/74/838478674.db2.gz WDJNCAQADBXQLI-SJORKVTESA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(CC#Cc1ccccc1)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001267754832 838478676 /nfs/dbraw/zinc/47/86/76/838478676.db2.gz WDJNCAQADBXQLI-SJORKVTESA-N 1 1 325.412 0.897 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001267757909 838482537 /nfs/dbraw/zinc/48/25/37/838482537.db2.gz FRTHEOAVCLYLEJ-GJZGRUSLSA-N 1 1 333.436 0.415 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001267757909 838482539 /nfs/dbraw/zinc/48/25/39/838482539.db2.gz FRTHEOAVCLYLEJ-GJZGRUSLSA-N 1 1 333.436 0.415 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(N(C)C)cn2)C1 ZINC001267764407 838495283 /nfs/dbraw/zinc/49/52/83/838495283.db2.gz URXMJQULKCPOAY-AWEZNQCLSA-N 1 1 333.436 0.892 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001267767473 838504919 /nfs/dbraw/zinc/50/49/19/838504919.db2.gz JQMJKRAOFAYNLT-DOTOQJQBSA-N 1 1 343.427 0.825 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001267767473 838504922 /nfs/dbraw/zinc/50/49/22/838504922.db2.gz JQMJKRAOFAYNLT-DOTOQJQBSA-N 1 1 343.427 0.825 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C(F)F)C1 ZINC001267771902 838523168 /nfs/dbraw/zinc/52/31/68/838523168.db2.gz PIVGGXPZNKJMPY-NWDGAFQWSA-N 1 1 329.391 0.948 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C(F)F)C1 ZINC001267771902 838523172 /nfs/dbraw/zinc/52/31/72/838523172.db2.gz PIVGGXPZNKJMPY-NWDGAFQWSA-N 1 1 329.391 0.948 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCc2nccs2)C1 ZINC001267776953 838541228 /nfs/dbraw/zinc/54/12/28/838541228.db2.gz HHJZPTISXFWVMF-ZDUSSCGKSA-N 1 1 334.445 0.358 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2nccs2)C1 ZINC001267776953 838541235 /nfs/dbraw/zinc/54/12/35/838541235.db2.gz HHJZPTISXFWVMF-ZDUSSCGKSA-N 1 1 334.445 0.358 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001408829081 838575670 /nfs/dbraw/zinc/57/56/70/838575670.db2.gz IOFRREMMEAIDGO-HNNXBMFYSA-N 1 1 331.420 0.947 20 30 ECEDMO Cc1n[nH]c(C(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)c1C ZINC001267848501 838644944 /nfs/dbraw/zinc/64/49/44/838644944.db2.gz IAYLUKIKFBBJCE-INIZCTEOSA-N 1 1 332.408 0.154 20 30 ECEDMO C[C@@H]1CCCC[C@@]1(C[NH2+]Cc1nnnn1C)NC(=O)C#CC1CC1 ZINC001267866737 838665813 /nfs/dbraw/zinc/66/58/13/838665813.db2.gz ODXGODBEACOUAP-DYVFJYSZSA-N 1 1 330.436 0.778 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267925904 838802601 /nfs/dbraw/zinc/80/26/01/838802601.db2.gz SXQFLFLFWQDMHV-DYVFJYSZSA-N 1 1 337.420 0.043 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001267942718 838829839 /nfs/dbraw/zinc/82/98/39/838829839.db2.gz KQKXQDUXPZIONB-CZUORRHYSA-N 1 1 346.406 0.482 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001267942718 838829851 /nfs/dbraw/zinc/82/98/51/838829851.db2.gz KQKXQDUXPZIONB-CZUORRHYSA-N 1 1 346.406 0.482 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)c1cc(C)n[nH]1)CC2 ZINC001267972464 838902194 /nfs/dbraw/zinc/90/21/94/838902194.db2.gz HQKLGZIANKEXLR-UHFFFAOYSA-N 1 1 345.447 0.948 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)c1cc(C)[nH]n1)CC2 ZINC001267972464 838902195 /nfs/dbraw/zinc/90/21/95/838902195.db2.gz HQKLGZIANKEXLR-UHFFFAOYSA-N 1 1 345.447 0.948 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)c1cc(C)[nH]n1)CC2 ZINC001267972464 838902200 /nfs/dbraw/zinc/90/22/00/838902200.db2.gz HQKLGZIANKEXLR-UHFFFAOYSA-N 1 1 345.447 0.948 20 30 ECEDMO COCC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C(=O)OC)CC2 ZINC001267972531 838903041 /nfs/dbraw/zinc/90/30/41/838903041.db2.gz JUWWMNRHGKFQFL-CVEARBPZSA-N 1 1 348.443 0.760 20 30 ECEDMO CC[N@H+](C)CCC(=O)N1CCC2(CCN(CC(=O)NCC#N)C2)CC1 ZINC001267973921 838907200 /nfs/dbraw/zinc/90/72/00/838907200.db2.gz FNVHUKCTHMSNRA-UHFFFAOYSA-N 1 1 349.479 0.282 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCC2(CCN(CC(=O)NCC#N)C2)CC1 ZINC001267973921 838907202 /nfs/dbraw/zinc/90/72/02/838907202.db2.gz FNVHUKCTHMSNRA-UHFFFAOYSA-N 1 1 349.479 0.282 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)CCO1 ZINC001268022324 839000446 /nfs/dbraw/zinc/00/04/46/839000446.db2.gz PALUQVXFWSMACR-DLBZAZTESA-N 1 1 338.448 0.803 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CCO1 ZINC001268022324 839000453 /nfs/dbraw/zinc/00/04/53/839000453.db2.gz PALUQVXFWSMACR-DLBZAZTESA-N 1 1 338.448 0.803 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)c1cnns1)CC2 ZINC001268042314 839186908 /nfs/dbraw/zinc/18/69/08/839186908.db2.gz ORCLFXNYRVKJHI-GFCCVEGCSA-N 1 1 349.460 0.767 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H](C)C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001268060071 839244554 /nfs/dbraw/zinc/24/45/54/839244554.db2.gz LUKVKNXXTIDIIB-HZPDHXFCSA-N 1 1 347.463 0.911 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2cncn2c1C ZINC001268070012 839263715 /nfs/dbraw/zinc/26/37/15/839263715.db2.gz BFKUIDMSVRLNMF-CYBMUJFWSA-N 1 1 343.431 0.995 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[N@@H+](C[C@H]3CCc4ncnn43)CC2)c[nH]1 ZINC000981006236 839315828 /nfs/dbraw/zinc/31/58/28/839315828.db2.gz PJISGUFCRHJUPN-OAHLLOKOSA-N 1 1 339.403 0.813 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C3=CCOCC3)CC2)C1=O ZINC000981024459 839324276 /nfs/dbraw/zinc/32/42/76/839324276.db2.gz OAFODBBUKPSGMM-INIZCTEOSA-N 1 1 333.432 0.654 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C3=CCOCC3)CC2)C1=O ZINC000981024459 839324288 /nfs/dbraw/zinc/32/42/88/839324288.db2.gz OAFODBBUKPSGMM-INIZCTEOSA-N 1 1 333.432 0.654 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)n1cnc(C#N)n1 ZINC000428547595 210267064 /nfs/dbraw/zinc/26/70/64/210267064.db2.gz MMECAWDHBXTAFP-DOMZBBRYSA-N 1 1 340.387 0.916 20 30 ECEDMO Cc1nc2n(n1)CCN(C([O-])=[NH+]CCN1CCC([NH+](C)C)CC1)C2 ZINC000328885393 282107345 /nfs/dbraw/zinc/10/73/45/282107345.db2.gz NJGBDYFALYXQIH-UHFFFAOYSA-N 1 1 335.456 0.342 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)[C@@H]2C1 ZINC000329560659 283061585 /nfs/dbraw/zinc/06/15/85/283061585.db2.gz RIDDWHUXUASRLX-MGPQQGTHSA-N 1 1 344.481 0.350 20 30 ECEDMO C[NH+]1CCN(C(=O)Cn2cc(Nc3cncc(C#N)n3)cn2)CC1 ZINC000420585440 209395078 /nfs/dbraw/zinc/39/50/78/209395078.db2.gz NUOPEFBKTDOUBN-UHFFFAOYSA-N 1 1 326.364 0.062 20 30 ECEDMO C=CCNC(=O)C[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000272019964 201247285 /nfs/dbraw/zinc/24/72/85/201247285.db2.gz RPGLAUNCUWXRMO-UHFFFAOYSA-N 1 1 331.416 0.983 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000269719365 201234010 /nfs/dbraw/zinc/23/40/10/201234010.db2.gz TUGQOZCFUCBNBI-GFCCVEGCSA-N 1 1 337.424 0.266 20 30 ECEDMO N#Cc1ccccc1N1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111686371 220180835 /nfs/dbraw/zinc/18/08/35/220180835.db2.gz ADPHRIYNINLWPM-MRXNPFEDSA-N 1 1 328.416 0.664 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000171106566 206659147 /nfs/dbraw/zinc/65/91/47/206659147.db2.gz AKDPVCYRYQRLOT-UHFFFAOYSA-N 1 1 330.388 0.127 20 30 ECEDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268712963 252162786 /nfs/dbraw/zinc/16/27/86/252162786.db2.gz UHAQTEMNXLTBGH-CVEARBPZSA-N 1 1 337.445 0.995 20 30 ECEDMO COC(=O)[C@H]1CN(C)CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000411925757 208170634 /nfs/dbraw/zinc/17/06/34/208170634.db2.gz ZQPMXONRFDAVIC-HNNXBMFYSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[N@H+](C)C1 ZINC000411925757 208170635 /nfs/dbraw/zinc/17/06/35/208170635.db2.gz ZQPMXONRFDAVIC-HNNXBMFYSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000411925757 208170639 /nfs/dbraw/zinc/17/06/39/208170639.db2.gz ZQPMXONRFDAVIC-HNNXBMFYSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@H]1CN(C)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000411924677 208171695 /nfs/dbraw/zinc/17/16/95/208171695.db2.gz YCVIWZRIWUFJRT-HNNXBMFYSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@H+](C)C1 ZINC000411924677 208171703 /nfs/dbraw/zinc/17/17/03/208171703.db2.gz YCVIWZRIWUFJRT-HNNXBMFYSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000411924677 208171707 /nfs/dbraw/zinc/17/17/07/208171707.db2.gz YCVIWZRIWUFJRT-HNNXBMFYSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000413112676 208284810 /nfs/dbraw/zinc/28/48/10/208284810.db2.gz XKXSVKKRQKUTSW-HNNXBMFYSA-N 1 1 330.388 0.804 20 30 ECEDMO CC[N@H+]1CCC[C@@H](CN(C)CC(=O)NCC#N)[C@@H]1c1cnn(C)c1 ZINC000434729335 285227653 /nfs/dbraw/zinc/22/76/53/285227653.db2.gz MDNACRIABRNFEW-WMLDXEAASA-N 1 1 332.452 0.765 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2C(F)(F)F)C1 ZINC001077941560 781980900 /nfs/dbraw/zinc/98/09/00/781980900.db2.gz WWHOBSRCZPXMPV-VXGBXAGGSA-N 1 1 327.306 0.899 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2C(F)(F)F)C1 ZINC001077941560 781980908 /nfs/dbraw/zinc/98/09/08/781980908.db2.gz WWHOBSRCZPXMPV-VXGBXAGGSA-N 1 1 327.306 0.899 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NCC[N@H+]2CCC[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000329861027 286102811 /nfs/dbraw/zinc/10/28/11/286102811.db2.gz PXLMCLGWKKOYHR-MELADBBJSA-N 1 1 347.481 0.724 20 30 ECEDMO Cn1c(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C#N)c(=O)n(C)c1=O ZINC000270273807 263232023 /nfs/dbraw/zinc/23/20/23/263232023.db2.gz KUUPYFMOVOVWMP-HUUCEWRRSA-N 1 1 339.399 0.813 20 30 ECEDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000276044422 263662901 /nfs/dbraw/zinc/66/29/01/263662901.db2.gz SHZCKTBRVQRLLJ-CQSZACIVSA-N 1 1 326.400 0.857 20 30 ECEDMO Cc1oc(C#N)cc1C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000280553094 263939825 /nfs/dbraw/zinc/93/98/25/263939825.db2.gz FBWWWWMEDOFHJE-GFCCVEGCSA-N 1 1 339.417 0.651 20 30 ECEDMO Cc1cc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1C#N ZINC000285101181 264278816 /nfs/dbraw/zinc/27/88/16/264278816.db2.gz QBFGGAOUSIESNM-HOTGVXAUSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)ccc1C#N ZINC000285101181 264278817 /nfs/dbraw/zinc/27/88/17/264278817.db2.gz QBFGGAOUSIESNM-HOTGVXAUSA-N 1 1 335.429 0.960 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(CC(=O)NCc3ccc(C#N)cc3)[C@H]2C1 ZINC000293318778 266158616 /nfs/dbraw/zinc/15/86/16/266158616.db2.gz QVNALHAJSOSPHM-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000343636855 266994252 /nfs/dbraw/zinc/99/42/52/266994252.db2.gz RJZRJNGYUQMPLR-RDTXWAMCSA-N 1 1 347.415 0.525 20 30 ECEDMO C[C@@](O)(CNC(=O)NCCc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000342200358 267113914 /nfs/dbraw/zinc/11/39/14/267113914.db2.gz JBGBOURQNRXEQA-GOSISDBHSA-N 1 1 346.431 0.483 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296339584 267398615 /nfs/dbraw/zinc/39/86/15/267398615.db2.gz VJTZFFYBSRBNMH-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296339584 267398619 /nfs/dbraw/zinc/39/86/19/267398619.db2.gz VJTZFFYBSRBNMH-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1ccc(N2CCC[C@@H](C(=O)NCCn3cnc(C#N)n3)C2)[nH+]c1 ZINC000367417106 267420087 /nfs/dbraw/zinc/42/00/87/267420087.db2.gz CLGVOZLRVCPPPT-CQSZACIVSA-N 1 1 339.403 0.886 20 30 ECEDMO N#Cc1ccc(N2CCC[N@H+](C[C@@H](O)CN3CCOCC3)CC2)cc1 ZINC000361577294 268109473 /nfs/dbraw/zinc/10/94/73/268109473.db2.gz TUKRNQRFJLYLTL-LJQANCHMSA-N 1 1 344.459 0.763 20 30 ECEDMO Cn1nc2c(cc1=O)C[N@H+](C[C@H](O)COc1ccccc1C#N)CC2 ZINC000528399274 268130633 /nfs/dbraw/zinc/13/06/33/268130633.db2.gz YPMOWWWEYMASHP-HNNXBMFYSA-N 1 1 340.383 0.450 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)cc1F ZINC000290166687 268134678 /nfs/dbraw/zinc/13/46/78/268134678.db2.gz DUFCOTWBYVEZLR-UHFFFAOYSA-N 1 1 336.392 0.801 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)cc1Cl ZINC000295434030 268201716 /nfs/dbraw/zinc/20/17/16/268201716.db2.gz WCDYXLNNASFFCJ-UHFFFAOYSA-N 1 1 343.836 0.947 20 30 ECEDMO N#Cc1ccc(CC(=O)N2CCC[C@@H](C[N@@H+]3CC[C@@H](O)C3)C2)cn1 ZINC000529399830 268215189 /nfs/dbraw/zinc/21/51/89/268215189.db2.gz RAESMUBHXXUFRM-DOTOQJQBSA-N 1 1 328.416 0.801 20 30 ECEDMO N#Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000377736211 268238174 /nfs/dbraw/zinc/23/81/74/268238174.db2.gz AVPSWKNDJDKDPI-KRWDZBQOSA-N 1 1 328.416 0.695 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1F ZINC000340900361 268246828 /nfs/dbraw/zinc/24/68/28/268246828.db2.gz NEWYVZNQTITNFF-NSHDSACASA-N 1 1 326.397 0.702 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1F ZINC000340900361 268246829 /nfs/dbraw/zinc/24/68/29/268246829.db2.gz NEWYVZNQTITNFF-NSHDSACASA-N 1 1 326.397 0.702 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366791537 268277767 /nfs/dbraw/zinc/27/77/67/268277767.db2.gz RMJDIZTVLBLWPC-HUUCEWRRSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+](CCO)CCN1CCOCC1 ZINC000361947865 268278387 /nfs/dbraw/zinc/27/83/87/268278387.db2.gz VPJKUQJUAQGPPQ-UHFFFAOYSA-N 1 1 346.431 0.513 20 30 ECEDMO N#Cc1ccsc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340050463 268306856 /nfs/dbraw/zinc/30/68/56/268306856.db2.gz CSQYHKMFMCRRIT-NSHDSACASA-N 1 1 349.416 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnc(C)n1C ZINC001077973205 782048269 /nfs/dbraw/zinc/04/82/69/782048269.db2.gz LXSQLKFVHFPTMZ-ZFWWWQNUSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnc(C)n1C ZINC001077973205 782048276 /nfs/dbraw/zinc/04/82/76/782048276.db2.gz LXSQLKFVHFPTMZ-ZFWWWQNUSA-N 1 1 345.447 0.451 20 30 ECEDMO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CCCS1(=O)=O ZINC000329086688 280133591 /nfs/dbraw/zinc/13/35/91/280133591.db2.gz GYEKUVYNDFSIGV-ZIAGYGMSSA-N 1 1 346.497 0.249 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C2(C(N)=O)CCCC2)CC1 ZINC000089267134 280134380 /nfs/dbraw/zinc/13/43/80/280134380.db2.gz YLHRUGSNQYHVIS-HNNXBMFYSA-N 1 1 349.479 0.409 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)C2(C(N)=O)CCCC2)CC1 ZINC000089267134 280134381 /nfs/dbraw/zinc/13/43/81/280134381.db2.gz YLHRUGSNQYHVIS-HNNXBMFYSA-N 1 1 349.479 0.409 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041721242 782053003 /nfs/dbraw/zinc/05/30/03/782053003.db2.gz MNPKUISXMVNTPS-GOEBONIOSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041721242 782053013 /nfs/dbraw/zinc/05/30/13/782053013.db2.gz MNPKUISXMVNTPS-GOEBONIOSA-N 1 1 326.462 0.922 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2noc(C)c2C#N)C[C@@H]1C ZINC000330766941 437610092 /nfs/dbraw/zinc/61/00/92/437610092.db2.gz RHHFGTGCSIGIAZ-NSHDSACASA-N 1 1 334.376 0.493 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2noc(C)c2C#N)C[C@@H]1C ZINC000330766941 437610096 /nfs/dbraw/zinc/61/00/96/437610096.db2.gz RHHFGTGCSIGIAZ-NSHDSACASA-N 1 1 334.376 0.493 20 30 ECEDMO C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1nncn1C ZINC000329396976 289232680 /nfs/dbraw/zinc/23/26/80/289232680.db2.gz USWIQQGJDNJODX-GJZGRUSLSA-N 1 1 349.483 0.892 20 30 ECEDMO C[C@H](CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1)C[NH+]1CCOCC1 ZINC000329241526 289394609 /nfs/dbraw/zinc/39/46/09/289394609.db2.gz RSGPWRAUFDFQFY-BZUAXINKSA-N 1 1 341.452 0.749 20 30 ECEDMO CC(C)(C#N)CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000330793819 437617152 /nfs/dbraw/zinc/61/71/52/437617152.db2.gz DCIXMHANLSVDFL-AWEZNQCLSA-N 1 1 336.436 0.366 20 30 ECEDMO C#C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000190289251 437619220 /nfs/dbraw/zinc/61/92/20/437619220.db2.gz OBAUFLBHWBHPFB-AWEZNQCLSA-N 1 1 328.416 0.905 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000069858143 435972763 /nfs/dbraw/zinc/97/27/63/435972763.db2.gz BBIIYTYDDQFLCO-LSDHHAIUSA-N 1 1 338.452 0.431 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858143 435972767 /nfs/dbraw/zinc/97/27/67/435972767.db2.gz BBIIYTYDDQFLCO-LSDHHAIUSA-N 1 1 338.452 0.431 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000072849458 436060440 /nfs/dbraw/zinc/06/04/40/436060440.db2.gz SRSTZSOXIQHFAJ-OAHLLOKOSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000072849458 436060442 /nfs/dbraw/zinc/06/04/42/436060442.db2.gz SRSTZSOXIQHFAJ-OAHLLOKOSA-N 1 1 329.404 0.323 20 30 ECEDMO N#CCSCCC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000074980515 436146536 /nfs/dbraw/zinc/14/65/36/436146536.db2.gz YJPOBKXGNYCCSB-UHFFFAOYSA-N 1 1 326.466 0.110 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000076992073 436222883 /nfs/dbraw/zinc/22/28/83/436222883.db2.gz PEPCAUXJANIERU-JKSUJKDBSA-N 1 1 337.464 0.980 20 30 ECEDMO Cn1c(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(C#N)c(=O)n(C)c1=O ZINC000078527191 436270982 /nfs/dbraw/zinc/27/09/82/436270982.db2.gz CDZVCCDTMAPEDZ-CYBMUJFWSA-N 1 1 331.420 0.632 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1 ZINC000081314294 436342697 /nfs/dbraw/zinc/34/26/97/436342697.db2.gz HEGMKAXEFNPVCP-UHFFFAOYSA-N 1 1 349.456 0.732 20 30 ECEDMO C=CCNC(=O)CN1CC[N@H+](CC(=O)NCC=C)C2(CCCCC2)C1 ZINC000081526883 436348379 /nfs/dbraw/zinc/34/83/79/436348379.db2.gz GBWBFOPOMJEELS-UHFFFAOYSA-N 1 1 348.491 0.911 20 30 ECEDMO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)C2(CCCCC2)C1 ZINC000081526883 436348381 /nfs/dbraw/zinc/34/83/81/436348381.db2.gz GBWBFOPOMJEELS-UHFFFAOYSA-N 1 1 348.491 0.911 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000048982718 436462926 /nfs/dbraw/zinc/46/29/26/436462926.db2.gz YPUHQZSDHJBIOK-UHFFFAOYSA-N 1 1 329.404 0.568 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)CC1 ZINC000092618538 436473391 /nfs/dbraw/zinc/47/33/91/436473391.db2.gz DOQGBYFSXDWIKM-PMPSAXMXSA-N 1 1 349.479 0.265 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000052191033 436504262 /nfs/dbraw/zinc/50/42/62/436504262.db2.gz FDQJAQIYFBJQEV-UHFFFAOYSA-N 1 1 346.412 0.794 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCC#N)CCC#N)CC1=O ZINC000105328272 436575330 /nfs/dbraw/zinc/57/53/30/436575330.db2.gz JZLJLALZOAPZLE-CVEARBPZSA-N 1 1 345.447 0.975 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(C#N)nc1 ZINC000115355907 436646181 /nfs/dbraw/zinc/64/61/81/436646181.db2.gz ZVGKEHWDUXORFE-OAHLLOKOSA-N 1 1 329.404 0.626 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+](C)C2CC2)c1 ZINC000063117052 436642254 /nfs/dbraw/zinc/64/22/54/436642254.db2.gz BMMMJEKEPIHOFX-UHFFFAOYSA-N 1 1 335.429 0.422 20 30 ECEDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000552097379 302384152 /nfs/dbraw/zinc/38/41/52/302384152.db2.gz SGOPSBZJFQYHQR-OKILXGFUSA-N 1 1 347.419 0.613 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000120899079 436701250 /nfs/dbraw/zinc/70/12/50/436701250.db2.gz HKZVLIYJNKFOBO-CQSZACIVSA-N 1 1 329.400 0.691 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119361372 436667563 /nfs/dbraw/zinc/66/75/63/436667563.db2.gz TUZXPDAMETXEGD-OAHLLOKOSA-N 1 1 329.408 0.646 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000194719042 436670615 /nfs/dbraw/zinc/67/06/15/436670615.db2.gz XCVKWBBKYPJKLL-AWEZNQCLSA-N 1 1 337.445 0.975 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000273051685 436732717 /nfs/dbraw/zinc/73/27/17/436732717.db2.gz KNXPYXQKMLYIFY-ZDUSSCGKSA-N 1 1 325.409 0.516 20 30 ECEDMO N#CCN1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000152690643 436738935 /nfs/dbraw/zinc/73/89/35/436738935.db2.gz RYPAKVKPSHQJTF-UHFFFAOYSA-N 1 1 341.459 0.472 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000153152921 436748895 /nfs/dbraw/zinc/74/88/95/436748895.db2.gz DEJJVUKGLWKERK-HNNXBMFYSA-N 1 1 327.388 0.332 20 30 ECEDMO CCS(=O)(=O)NCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000068784693 436754880 /nfs/dbraw/zinc/75/48/80/436754880.db2.gz MHWPGBZEDMTBCA-UHFFFAOYSA-N 1 1 336.461 0.615 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000245390660 436760991 /nfs/dbraw/zinc/76/09/91/436760991.db2.gz MSSDGLKPMCWGAW-KGLIPLIRSA-N 1 1 338.452 0.871 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000156637943 436818812 /nfs/dbraw/zinc/81/88/12/436818812.db2.gz KWLGXZUDHSUJIM-MRXNPFEDSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000156637943 436818817 /nfs/dbraw/zinc/81/88/17/436818817.db2.gz KWLGXZUDHSUJIM-MRXNPFEDSA-N 1 1 349.475 0.818 20 30 ECEDMO CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000249300242 436819218 /nfs/dbraw/zinc/81/92/18/436819218.db2.gz DEMLYOIOBFKDGO-LSDHHAIUSA-N 1 1 338.429 0.807 20 30 ECEDMO CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000249300242 436819220 /nfs/dbraw/zinc/81/92/20/436819220.db2.gz DEMLYOIOBFKDGO-LSDHHAIUSA-N 1 1 338.429 0.807 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(=O)n2ccsc2n1 ZINC000125482931 436770162 /nfs/dbraw/zinc/77/01/62/436770162.db2.gz BTIBWGPVSBJOTB-UHFFFAOYSA-N 1 1 343.416 0.998 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000159139379 436853791 /nfs/dbraw/zinc/85/37/91/436853791.db2.gz BGXBWCIISGLGDJ-CQSZACIVSA-N 1 1 335.408 0.177 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000293289070 436865090 /nfs/dbraw/zinc/86/50/90/436865090.db2.gz GPQZAQNCACHIOP-UHFFFAOYSA-N 1 1 331.372 0.468 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)OC ZINC000293342881 436867398 /nfs/dbraw/zinc/86/73/98/436867398.db2.gz KIXFCFCHOHIOIS-UHFFFAOYSA-N 1 1 331.372 0.483 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000129436177 436826465 /nfs/dbraw/zinc/82/64/65/436826465.db2.gz LJLBIFWNZZFJAK-SJORKVTESA-N 1 1 329.448 0.543 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162750214 436913339 /nfs/dbraw/zinc/91/33/39/436913339.db2.gz BCNJUISYDBKAPU-INIZCTEOSA-N 1 1 334.464 0.425 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 ZINC000293992142 436925113 /nfs/dbraw/zinc/92/51/13/436925113.db2.gz OCDQYTZWMXQULF-JXMROGBWSA-N 1 1 335.429 0.419 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000274893901 436888395 /nfs/dbraw/zinc/88/83/95/436888395.db2.gz QJAXZOPCPNQYNZ-AWEZNQCLSA-N 1 1 326.356 0.440 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000162023061 436901291 /nfs/dbraw/zinc/90/12/91/436901291.db2.gz FPDGXLJPRKGCKD-UHFFFAOYSA-N 1 1 333.363 0.940 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000293755524 436906913 /nfs/dbraw/zinc/90/69/13/436906913.db2.gz JHEGBDLKMGKAFL-UHFFFAOYSA-N 1 1 330.431 0.768 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162604819 436910683 /nfs/dbraw/zinc/91/06/83/436910683.db2.gz KYBWHVGTYNYEDU-YJBOKZPZSA-N 1 1 349.479 0.279 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295236868 436962882 /nfs/dbraw/zinc/96/28/82/436962882.db2.gz OYQHHTPMNQUMML-UHFFFAOYSA-N 1 1 340.449 0.004 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295236868 436962886 /nfs/dbraw/zinc/96/28/86/436962886.db2.gz OYQHHTPMNQUMML-UHFFFAOYSA-N 1 1 340.449 0.004 20 30 ECEDMO C=CCN1CC[C@H](N(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000281404581 436965913 /nfs/dbraw/zinc/96/59/13/436965913.db2.gz XTNWBABTWAKJSO-INIZCTEOSA-N 1 1 344.463 0.447 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Cc1cccc(OCC(=O)NC)c1 ZINC000294032216 436928811 /nfs/dbraw/zinc/92/88/11/436928811.db2.gz ROSCIKHQRYLFPT-UHFFFAOYSA-N 1 1 331.416 0.425 20 30 ECEDMO C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@@H](N2CC=CC2)C1 ZINC000262785335 436942404 /nfs/dbraw/zinc/94/24/04/436942404.db2.gz MJDKJGFEBHMWHE-CQSZACIVSA-N 1 1 331.468 0.508 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N[C@H]1CCOc2ccccc21 ZINC000262820688 436943759 /nfs/dbraw/zinc/94/37/59/436943759.db2.gz YCFAOMWBZLWBLS-ZBFHGGJFSA-N 1 1 329.448 0.675 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCc1cccnc1OCCOC ZINC000296153611 436985005 /nfs/dbraw/zinc/98/50/05/436985005.db2.gz AFEVSBJVKJGGRQ-UHFFFAOYSA-N 1 1 334.420 0.861 20 30 ECEDMO C#Cc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000296495576 436993836 /nfs/dbraw/zinc/99/38/36/436993836.db2.gz BMWFVDBJVOOBCE-MRXNPFEDSA-N 1 1 328.416 0.807 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296546757 436993922 /nfs/dbraw/zinc/99/39/22/436993922.db2.gz YJCBKYXTZJIWOS-OAHLLOKOSA-N 1 1 330.384 0.730 20 30 ECEDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC#Cc1ccccc1 ZINC000264580465 437049264 /nfs/dbraw/zinc/04/92/64/437049264.db2.gz JMYYVVLPLVQFTO-INIZCTEOSA-N 1 1 328.416 0.677 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000299340173 437070354 /nfs/dbraw/zinc/07/03/54/437070354.db2.gz QUCASFPOTRCHKM-JYJNAYRXSA-N 1 1 345.443 0.718 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cn2cnc3sccc3c2=O)CC1 ZINC000299352438 437072161 /nfs/dbraw/zinc/07/21/61/437072161.db2.gz WAQNIRDXAVAURQ-UHFFFAOYSA-N 1 1 330.413 0.626 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285549452 437079629 /nfs/dbraw/zinc/07/96/29/437079629.db2.gz UNHMODKPOUEHED-UHFFFAOYSA-N 1 1 329.466 0.448 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)ccc1F ZINC000264814567 437088571 /nfs/dbraw/zinc/08/85/71/437088571.db2.gz CAGFOFMNRPMQPE-UHFFFAOYSA-N 1 1 336.392 0.801 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@H](C)O)CC1 ZINC000305783113 437164990 /nfs/dbraw/zinc/16/49/90/437164990.db2.gz VWNCBOKFBQERNH-ULQDDVLXSA-N 1 1 336.480 0.914 20 30 ECEDMO C[C@](C#N)(NC(=O)CN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000304713444 437159950 /nfs/dbraw/zinc/15/99/50/437159950.db2.gz MOLUJZHMHCDFMR-SOLBZPMBSA-N 1 1 334.464 0.716 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001077981471 782065627 /nfs/dbraw/zinc/06/56/27/782065627.db2.gz PFGXXOXBUXUVER-HUUCEWRRSA-N 1 1 333.388 0.211 20 30 ECEDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000301654822 437129370 /nfs/dbraw/zinc/12/93/70/437129370.db2.gz ANGPZSOVIZAGNT-GFCCVEGCSA-N 1 1 342.403 0.148 20 30 ECEDMO Cc1nnc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(C#N)c1C ZINC000301804930 437131339 /nfs/dbraw/zinc/13/13/39/437131339.db2.gz DSAQKVFBBRTCPM-OAHLLOKOSA-N 1 1 328.420 0.884 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(C#N)ccn1 ZINC000287330022 437179788 /nfs/dbraw/zinc/17/97/88/437179788.db2.gz HZRRJLCKLJYTIF-HNNXBMFYSA-N 1 1 329.404 0.626 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000305782782 437165681 /nfs/dbraw/zinc/16/56/81/437165681.db2.gz VQLSBEOPDVBPIX-HUUCEWRRSA-N 1 1 348.472 0.914 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000266718681 437234013 /nfs/dbraw/zinc/23/40/13/437234013.db2.gz ULELXSDUWCDAMI-UHFFFAOYSA-N 1 1 348.403 0.612 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000329042205 437307073 /nfs/dbraw/zinc/30/70/73/437307073.db2.gz TVBLFWBGGQYBFU-OWCLPIDISA-N 1 1 338.452 0.359 20 30 ECEDMO C[N@H+](CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)Cc1ccccc1 ZINC000336906381 437307771 /nfs/dbraw/zinc/30/77/71/437307771.db2.gz FFAKOCKVELKABB-HNNXBMFYSA-N 1 1 338.433 0.177 20 30 ECEDMO C[N@@H+](CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)Cc1ccccc1 ZINC000336906381 437307775 /nfs/dbraw/zinc/30/77/75/437307775.db2.gz FFAKOCKVELKABB-HNNXBMFYSA-N 1 1 338.433 0.177 20 30 ECEDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000329059462 437311299 /nfs/dbraw/zinc/31/12/99/437311299.db2.gz JCOKBDBUVUDNOZ-CABCVRRESA-N 1 1 338.452 0.360 20 30 ECEDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000329059462 437311302 /nfs/dbraw/zinc/31/13/02/437311302.db2.gz JCOKBDBUVUDNOZ-CABCVRRESA-N 1 1 338.452 0.360 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)n1C ZINC000329115134 437321415 /nfs/dbraw/zinc/32/14/15/437321415.db2.gz MLGZEMLADYIFAF-MLGOLLRUSA-N 1 1 337.424 0.828 20 30 ECEDMO C=CCN1CC[C@H](N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C1=O ZINC000328858867 437273375 /nfs/dbraw/zinc/27/33/75/437273375.db2.gz YKYUUTYCRWRQHK-AWEZNQCLSA-N 1 1 330.436 0.452 20 30 ECEDMO C[C@]1(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCOC1 ZINC000328862748 437274647 /nfs/dbraw/zinc/27/46/47/437274647.db2.gz MGSGHGSIVZIPRI-YOEHRIQHSA-N 1 1 339.436 0.835 20 30 ECEDMO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333702438 437281763 /nfs/dbraw/zinc/28/17/63/437281763.db2.gz DNVDVSPWUQLLKF-SOUVJXGZSA-N 1 1 333.436 0.675 20 30 ECEDMO COCC[N@H+]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000267119292 437291610 /nfs/dbraw/zinc/29/16/10/437291610.db2.gz CZAIYXHSLZMUEA-UHFFFAOYSA-N 1 1 344.415 0.469 20 30 ECEDMO C=CCNC(=O)CNC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000180670417 437299323 /nfs/dbraw/zinc/29/93/23/437299323.db2.gz MXPWSXBEXJMCDP-CABCVRRESA-N 1 1 340.468 0.725 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000329282959 437346444 /nfs/dbraw/zinc/34/64/44/437346444.db2.gz NWMCLQAUPCMPLL-CHWSQXEVSA-N 1 1 337.424 0.115 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCC2(N3CCOCC3)CC2)[C@@H](C)C1 ZINC000329409599 437364896 /nfs/dbraw/zinc/36/48/96/437364896.db2.gz AGQRYJFTEMOJDG-GJZGRUSLSA-N 1 1 340.468 0.152 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000329444749 437369778 /nfs/dbraw/zinc/36/97/78/437369778.db2.gz NQBFCJVURCTSDB-HZPDHXFCSA-N 1 1 340.468 0.274 20 30 ECEDMO Cc1nc(Cn2nnc(NC(=O)N3CC[N@H+](C)[C@H](C)[C@H]3C)c2C)no1 ZINC000329141415 437325099 /nfs/dbraw/zinc/32/50/99/437325099.db2.gz UGRIGQTUFYFVFM-NXEZZACHSA-N 1 1 348.411 0.896 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000329156188 437326440 /nfs/dbraw/zinc/32/64/40/437326440.db2.gz BAPKCWJHAPNRKM-LLVKDONJSA-N 1 1 338.374 0.535 20 30 ECEDMO C=CCNC(=O)CNC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000181668883 437326812 /nfs/dbraw/zinc/32/68/12/437326812.db2.gz SWQZOEYFZAASNC-UHFFFAOYSA-N 1 1 348.422 1.000 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000288560781 437332464 /nfs/dbraw/zinc/33/24/64/437332464.db2.gz UANLHVZAKAZBPQ-CQSZACIVSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000288560781 437332468 /nfs/dbraw/zinc/33/24/68/437332468.db2.gz UANLHVZAKAZBPQ-CQSZACIVSA-N 1 1 349.456 0.764 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000182100262 437337714 /nfs/dbraw/zinc/33/77/14/437337714.db2.gz LBEZIXHINPIRAN-CABCVRRESA-N 1 1 338.452 0.564 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000182100262 437337716 /nfs/dbraw/zinc/33/77/16/437337716.db2.gz LBEZIXHINPIRAN-CABCVRRESA-N 1 1 338.452 0.564 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc3c(c2)OCO3)C1=O ZINC000337181459 437338715 /nfs/dbraw/zinc/33/87/15/437338715.db2.gz MPCIAAOIPPDLCE-HIFRSBDPSA-N 1 1 348.399 0.874 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)[C@@H](C)N3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000329783669 437413204 /nfs/dbraw/zinc/41/32/04/437413204.db2.gz VHCAIDYFVVJJQV-KGLIPLIRSA-N 1 1 348.451 0.426 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN3C(=O)NC[C@H]3C2)C1 ZINC000329802808 437414315 /nfs/dbraw/zinc/41/43/15/437414315.db2.gz KRBSMGBBBFLPQC-UONOGXRCSA-N 1 1 339.440 0.171 20 30 ECEDMO C[C@H](CNC(=O)N1CCc2cncnc2C1)CN1CC[NH+](C)CC1 ZINC000329809580 437416551 /nfs/dbraw/zinc/41/65/51/437416551.db2.gz QDBLZWCTHDNCGA-CQSZACIVSA-N 1 1 332.452 0.632 20 30 ECEDMO CSC1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCOCC1 ZINC000329807950 437416580 /nfs/dbraw/zinc/41/65/80/437416580.db2.gz PAKPXPCTTSJOJQ-CYBMUJFWSA-N 1 1 330.498 0.648 20 30 ECEDMO Cn1nccc1C1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329845306 437420544 /nfs/dbraw/zinc/42/05/44/437420544.db2.gz OOEKPOZFFHEHMH-OAHLLOKOSA-N 1 1 334.468 0.759 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000329856192 437422299 /nfs/dbraw/zinc/42/22/99/437422299.db2.gz XYTMZPQKDPDHFN-NOZJJQNGSA-N 1 1 343.387 0.821 20 30 ECEDMO O=S1(=O)CCC[C@H]([NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329910313 437429530 /nfs/dbraw/zinc/42/95/30/437429530.db2.gz VSGMPURDPOFSIA-NEPJUHHUSA-N 1 1 326.422 0.526 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H](NC(=O)C3CC3)[C@H](C)O)[C@H]2C1 ZINC000329510958 437378173 /nfs/dbraw/zinc/37/81/73/437378173.db2.gz BXPRAWQGXUZXIV-SPWCGHHHSA-N 1 1 339.436 0.424 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000337989508 437386932 /nfs/dbraw/zinc/38/69/32/437386932.db2.gz DZNSWSFTWSLOGM-KGLIPLIRSA-N 1 1 332.470 0.292 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000338261887 437400464 /nfs/dbraw/zinc/40/04/64/437400464.db2.gz KTICCIWNNIUTSI-QGZVFWFLSA-N 1 1 325.453 0.840 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000330214947 437470249 /nfs/dbraw/zinc/47/02/49/437470249.db2.gz GNWRAMIWHIFCRJ-CYBMUJFWSA-N 1 1 340.472 0.078 20 30 ECEDMO C[N@@H+](CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000290210577 437470672 /nfs/dbraw/zinc/47/06/72/437470672.db2.gz SCGGRSFFYAJNRF-UHFFFAOYSA-N 1 1 336.417 0.047 20 30 ECEDMO O=C(NCCNS(=O)(=O)c1cccnc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330232502 437473532 /nfs/dbraw/zinc/47/35/32/437473532.db2.gz RPFYXYIBOILHRB-CQSZACIVSA-N 1 1 338.433 0.943 20 30 ECEDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCO[C@@H](CO)C1 ZINC000330245584 437474113 /nfs/dbraw/zinc/47/41/13/437474113.db2.gz KSUNAGLPHBOJSC-QGZVFWFLSA-N 1 1 349.431 0.626 20 30 ECEDMO C[C@@H]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CCS1(=O)=O ZINC000330251162 437475101 /nfs/dbraw/zinc/47/51/01/437475101.db2.gz NISOUHVQJLRVHO-LLVKDONJSA-N 1 1 343.453 0.409 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000330258821 437476227 /nfs/dbraw/zinc/47/62/27/437476227.db2.gz MTRCSTWYGGCQNI-HNNXBMFYSA-N 1 1 329.408 0.839 20 30 ECEDMO C[C@@H](Cn1cncn1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000330254622 437476714 /nfs/dbraw/zinc/47/67/14/437476714.db2.gz JNEPFPPHBABEGN-UONOGXRCSA-N 1 1 336.440 0.766 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000330260311 437476852 /nfs/dbraw/zinc/47/68/52/437476852.db2.gz OFERKGUBYQNIRI-SNVBAGLBSA-N 1 1 325.442 0.251 20 30 ECEDMO NS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000329943814 437434894 /nfs/dbraw/zinc/43/48/94/437434894.db2.gz IAUJBNZZXQPTPM-CQSZACIVSA-N 1 1 344.481 0.875 20 30 ECEDMO C[NH+](C)[C@@]1(CNC(=O)CN2CCS(=O)(=O)CC2)CCSC1 ZINC000330052005 437448282 /nfs/dbraw/zinc/44/82/82/437448282.db2.gz OJFJSADPWRDXGE-CYBMUJFWSA-N 1 1 335.495 0.111 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@]2(C)CCOC2)CC1 ZINC000330149412 437460127 /nfs/dbraw/zinc/46/01/27/437460127.db2.gz VDSHOZZFCJYMGI-RHSMWYFYSA-N 1 1 338.452 0.565 20 30 ECEDMO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000330183077 437464155 /nfs/dbraw/zinc/46/41/55/437464155.db2.gz PNLDHKMIVYFUMH-OWCLPIDISA-N 1 1 341.452 0.891 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC3(C2)CCOCC3)CC1 ZINC000330200966 437467992 /nfs/dbraw/zinc/46/79/92/437467992.db2.gz XCJFGOICICGHMG-UHFFFAOYSA-N 1 1 338.452 0.565 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000330371287 437493070 /nfs/dbraw/zinc/49/30/70/437493070.db2.gz IIKDSGRSUTZHOM-CYBMUJFWSA-N 1 1 340.453 0.268 20 30 ECEDMO COCC[N@H+](C)CCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000360004209 437503699 /nfs/dbraw/zinc/50/36/99/437503699.db2.gz CFCYUMBWDOIQTB-UHFFFAOYSA-N 1 1 329.397 0.695 20 30 ECEDMO COCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000360004209 437503700 /nfs/dbraw/zinc/50/37/00/437503700.db2.gz CFCYUMBWDOIQTB-UHFFFAOYSA-N 1 1 329.397 0.695 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 ZINC000330438317 437511351 /nfs/dbraw/zinc/51/13/51/437511351.db2.gz BXSANIFVZVVTFK-GFCCVEGCSA-N 1 1 345.421 0.555 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000330446056 437512541 /nfs/dbraw/zinc/51/25/41/437512541.db2.gz UUNYTDJNRYEXGS-GFCCVEGCSA-N 1 1 340.453 0.315 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCCC#N)CC2)c1 ZINC000343149419 437516953 /nfs/dbraw/zinc/51/69/53/437516953.db2.gz OHFLRHSPFSLQCL-UHFFFAOYSA-N 1 1 329.404 0.849 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000360107239 437521442 /nfs/dbraw/zinc/52/14/42/437521442.db2.gz GRDYAJPDOHURCD-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343165205 437522378 /nfs/dbraw/zinc/52/23/78/437522378.db2.gz OEUABUKWFSWLOF-LSDHHAIUSA-N 1 1 325.453 0.932 20 30 ECEDMO CCC[C@@H]1CN(C(=O)N[C@H]2CCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC000330551447 437549012 /nfs/dbraw/zinc/54/90/12/437549012.db2.gz BREHMJPIMFCFQP-JKSUJKDBSA-N 1 1 340.468 0.954 20 30 ECEDMO O=C(CC[N@@H+]1CCSC[C@@H]1CO)NC(=O)NCC(F)(F)F ZINC000330558157 437551862 /nfs/dbraw/zinc/55/18/62/437551862.db2.gz GLBKODNIOIEUPE-QMMMGPOBSA-N 1 1 329.344 0.379 20 30 ECEDMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000330600303 437564878 /nfs/dbraw/zinc/56/48/78/437564878.db2.gz HDQRJZKIYZEEMW-LLVKDONJSA-N 1 1 328.438 0.076 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)CCC(N)=O)CC2)o1 ZINC000330605876 437566651 /nfs/dbraw/zinc/56/66/51/437566651.db2.gz IFCWWYRPMNAFDO-UHFFFAOYSA-N 1 1 334.380 0.360 20 30 ECEDMO COCC[N@@H+]1CCN(C(=O)Nc2cc(C)n(CCC#N)n2)C[C@H]1C ZINC000330694540 437590408 /nfs/dbraw/zinc/59/04/08/437590408.db2.gz IJLDIWSMQDDTOO-CQSZACIVSA-N 1 1 334.424 1.290 20 30 ECEDMO COCC[N@H+]1CCN(C(=O)Nc2cc(C)n(CCC#N)n2)C[C@H]1C ZINC000330694540 437590411 /nfs/dbraw/zinc/59/04/11/437590411.db2.gz IJLDIWSMQDDTOO-CQSZACIVSA-N 1 1 334.424 1.290 20 30 ECEDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cc2noc(C)c2C#N)CC1 ZINC000354536949 437631380 /nfs/dbraw/zinc/63/13/80/437631380.db2.gz PNDCHLWWYFRLFG-NSHDSACASA-N 1 1 334.376 0.493 20 30 ECEDMO CCC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000330878052 437639090 /nfs/dbraw/zinc/63/90/90/437639090.db2.gz XXQREHTYONHTPY-QWHCGFSZSA-N 1 1 345.465 0.858 20 30 ECEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000330878052 437639094 /nfs/dbraw/zinc/63/90/94/437639094.db2.gz XXQREHTYONHTPY-QWHCGFSZSA-N 1 1 345.465 0.858 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000331026160 437672797 /nfs/dbraw/zinc/67/27/97/437672797.db2.gz BILSFKXPGLDMRP-LLVKDONJSA-N 1 1 344.412 0.024 20 30 ECEDMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292047879 437653191 /nfs/dbraw/zinc/65/31/91/437653191.db2.gz BAKXLYRREDKROL-AAEUAGOBSA-N 1 1 332.360 0.084 20 30 ECEDMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292047879 437653196 /nfs/dbraw/zinc/65/31/96/437653196.db2.gz BAKXLYRREDKROL-AAEUAGOBSA-N 1 1 332.360 0.084 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](CCO)C2)CC1 ZINC000330939062 437654416 /nfs/dbraw/zinc/65/44/16/437654416.db2.gz WHANYFRCHHIJPY-ZDUSSCGKSA-N 1 1 326.441 0.157 20 30 ECEDMO COC(=O)[C@]1(C)CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000330958456 437657147 /nfs/dbraw/zinc/65/71/47/437657147.db2.gz DDQWZLDBALZWFC-XJKSGUPXSA-N 1 1 327.425 0.754 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000330965323 437659518 /nfs/dbraw/zinc/65/95/18/437659518.db2.gz DJBJGUJUWVSZMQ-DLBZAZTESA-N 1 1 349.435 0.555 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H](CO)C2)CC1 ZINC000362303973 437728964 /nfs/dbraw/zinc/72/89/64/437728964.db2.gz DCZXLDIQKBCCJH-SJORKVTESA-N 1 1 336.480 0.773 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](CO)C[C@H]2C)CC1 ZINC000344163022 437741430 /nfs/dbraw/zinc/74/14/30/437741430.db2.gz ZQGIMTYDZGNOHO-ZACQAIPSSA-N 1 1 336.480 0.772 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1Cn1nc(C)nc1C ZINC000364629365 437819789 /nfs/dbraw/zinc/81/97/89/437819789.db2.gz GSTQTLHSIMNAQI-CQSZACIVSA-N 1 1 334.424 0.761 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1Cn1nc(C)nc1C ZINC000364629365 437819795 /nfs/dbraw/zinc/81/97/95/437819795.db2.gz GSTQTLHSIMNAQI-CQSZACIVSA-N 1 1 334.424 0.761 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000346744195 437820466 /nfs/dbraw/zinc/82/04/66/437820466.db2.gz YSTSLHWLPISITR-BLLLJJGKSA-N 1 1 332.408 0.044 20 30 ECEDMO CC(C)OCC[NH+]1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000345329218 437788196 /nfs/dbraw/zinc/78/81/96/437788196.db2.gz KRBZPUKJNUAVEA-UHFFFAOYSA-N 1 1 331.420 0.934 20 30 ECEDMO Cn1ncc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1C#N ZINC000356606587 437795003 /nfs/dbraw/zinc/79/50/03/437795003.db2.gz YSXOCTSDPJEOLF-LSDHHAIUSA-N 1 1 339.399 0.657 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364251109 437812736 /nfs/dbraw/zinc/81/27/36/437812736.db2.gz HUCXEPZQSKCVIE-ZDUSSCGKSA-N 1 1 325.409 0.658 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364251109 437812741 /nfs/dbraw/zinc/81/27/41/437812741.db2.gz HUCXEPZQSKCVIE-ZDUSSCGKSA-N 1 1 325.409 0.658 20 30 ECEDMO COCC1(C#N)CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000341559836 437868441 /nfs/dbraw/zinc/86/84/41/437868441.db2.gz CUAIKQJVVVHPBC-UHFFFAOYSA-N 1 1 334.424 0.948 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000341414746 437842079 /nfs/dbraw/zinc/84/20/79/437842079.db2.gz ANXUPYIJOSJOGA-UHFFFAOYSA-N 1 1 332.404 0.540 20 30 ECEDMO C=CC[C@@H](CO)CNC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000341861514 437913497 /nfs/dbraw/zinc/91/34/97/437913497.db2.gz XXRCKOYCYXBSAU-CQSZACIVSA-N 1 1 340.468 0.461 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000371727921 437982312 /nfs/dbraw/zinc/98/23/12/437982312.db2.gz NEMFMNKTOHYKOH-UHFFFAOYSA-N 1 1 340.449 0.928 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000416449144 437935718 /nfs/dbraw/zinc/93/57/18/437935718.db2.gz ITIDPUXVOHQNPU-BMFZPTHFSA-N 1 1 337.445 0.701 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000357564457 438012460 /nfs/dbraw/zinc/01/24/60/438012460.db2.gz RKIOCDLNFYBXFM-UHFFFAOYSA-N 1 1 329.466 0.789 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)nn1 ZINC000425866765 438044643 /nfs/dbraw/zinc/04/46/43/438044643.db2.gz BVAHQABUTFUNAD-UHFFFAOYSA-N 1 1 336.440 0.452 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366306005 438049367 /nfs/dbraw/zinc/04/93/67/438049367.db2.gz FFKUYBAHOVZNPM-AGIUHOORSA-N 1 1 332.404 0.312 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1ccnn1C ZINC000348088139 438009330 /nfs/dbraw/zinc/00/93/30/438009330.db2.gz PNTUQSJUDAGDSZ-LZWOXQAQSA-N 1 1 337.443 0.955 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C ZINC000429386022 438100337 /nfs/dbraw/zinc/10/03/37/438100337.db2.gz OMJYJWDALULUDQ-AVGNSLFASA-N 1 1 325.409 0.906 20 30 ECEDMO C#CC[C@@H](C)NC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000366640982 438108461 /nfs/dbraw/zinc/10/84/61/438108461.db2.gz IDFSXEBGJTXJST-IAGOWNOFSA-N 1 1 336.480 0.835 20 30 ECEDMO CN1C[C@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CCN2C1=O ZINC000373226857 438137646 /nfs/dbraw/zinc/13/76/46/438137646.db2.gz IUBYPLRHJPCAAM-GJZGRUSLSA-N 1 1 330.388 0.350 20 30 ECEDMO CN1C[C@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CCN2C1=O ZINC000373226857 438137652 /nfs/dbraw/zinc/13/76/52/438137652.db2.gz IUBYPLRHJPCAAM-GJZGRUSLSA-N 1 1 330.388 0.350 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358211496 438182266 /nfs/dbraw/zinc/18/22/66/438182266.db2.gz QXQOABAYCBJJQW-KGLIPLIRSA-N 1 1 329.466 0.576 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](OC)C[C@H]1CC(=O)OCC ZINC000373568961 438160375 /nfs/dbraw/zinc/16/03/75/438160375.db2.gz SIYMILCXPYYSHR-RYUDHWBXSA-N 1 1 327.381 0.041 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](OC)C[C@H]1CC(=O)OCC ZINC000373568961 438160379 /nfs/dbraw/zinc/16/03/79/438160379.db2.gz SIYMILCXPYYSHR-RYUDHWBXSA-N 1 1 327.381 0.041 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]3COC[C@H]32)CC1 ZINC000367076948 438163311 /nfs/dbraw/zinc/16/33/11/438163311.db2.gz DZOWZBNWSGEJRB-YESZJQIVSA-N 1 1 334.464 0.790 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)C1=O ZINC000373867175 438171872 /nfs/dbraw/zinc/17/18/72/438171872.db2.gz OJSSWWHZBWFVAT-HNNXBMFYSA-N 1 1 341.477 0.663 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375114931 438241018 /nfs/dbraw/zinc/24/10/18/438241018.db2.gz SMRXVSRQVZLQSV-UHFFFAOYSA-N 1 1 341.437 0.416 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375782557 438262607 /nfs/dbraw/zinc/26/26/07/438262607.db2.gz LCLIDNLWISUXEA-KGLIPLIRSA-N 1 1 325.409 0.658 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375782557 438262610 /nfs/dbraw/zinc/26/26/10/438262610.db2.gz LCLIDNLWISUXEA-KGLIPLIRSA-N 1 1 325.409 0.658 20 30 ECEDMO C[C@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1CCO ZINC000351413533 438263223 /nfs/dbraw/zinc/26/32/23/438263223.db2.gz LYYDBNNCRVDYMH-WMLDXEAASA-N 1 1 326.400 0.766 20 30 ECEDMO C[C@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1CCO ZINC000351413533 438263226 /nfs/dbraw/zinc/26/32/26/438263226.db2.gz LYYDBNNCRVDYMH-WMLDXEAASA-N 1 1 326.400 0.766 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000376327338 438280059 /nfs/dbraw/zinc/28/00/59/438280059.db2.gz ILXCQXOWOVZFRB-HNNXBMFYSA-N 1 1 329.404 0.590 20 30 ECEDMO C[C@@]1(CNC(=O)NCC(=O)NCC#N)CCC[N@H+]1Cc1ccccc1 ZINC000367790582 438251082 /nfs/dbraw/zinc/25/10/82/438251082.db2.gz GVGGHGGYCWDXML-SFHVURJKSA-N 1 1 343.431 0.980 20 30 ECEDMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000367818572 438253506 /nfs/dbraw/zinc/25/35/06/438253506.db2.gz IHMNFMBOUKSLLX-PBHICJAKSA-N 1 1 332.404 0.917 20 30 ECEDMO C[N@@H+]1CC[C@@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C[C@H]21 ZINC000377603195 438313635 /nfs/dbraw/zinc/31/36/35/438313635.db2.gz GHAXVEXBZRIHNX-HUUCEWRRSA-N 1 1 334.445 0.753 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C[C@H]21 ZINC000377603195 438313641 /nfs/dbraw/zinc/31/36/41/438313641.db2.gz GHAXVEXBZRIHNX-HUUCEWRRSA-N 1 1 334.445 0.753 20 30 ECEDMO N#CC1(CCC[N@@H+]2CCCN(S(N)(=O)=O)CC2)CCOCC1 ZINC000369075933 438419198 /nfs/dbraw/zinc/41/91/98/438419198.db2.gz IVXDEKHOUIHTNR-UHFFFAOYSA-N 1 1 330.454 0.298 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)CC1 ZINC000369067806 438420271 /nfs/dbraw/zinc/42/02/71/438420271.db2.gz VKEITIQCVXZMIN-IRXDYDNUSA-N 1 1 347.459 0.714 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000369118413 438425527 /nfs/dbraw/zinc/42/55/27/438425527.db2.gz UXHHXEKHCVRHSF-KGLIPLIRSA-N 1 1 330.454 0.119 20 30 ECEDMO CN1C(=O)[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCN2C1=O ZINC000369408172 438467376 /nfs/dbraw/zinc/46/73/76/438467376.db2.gz KKOZOFSSFCINII-NSHDSACASA-N 1 1 347.400 0.527 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CCN2C1=O ZINC000369439997 438475418 /nfs/dbraw/zinc/47/54/18/438475418.db2.gz POSPPILFJNRCSS-OAHLLOKOSA-N 1 1 328.372 0.905 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2c(F)cccc2C#N)CC1 ZINC000352846009 438483195 /nfs/dbraw/zinc/48/31/95/438483195.db2.gz ZSTWSASFRLLHFI-UHFFFAOYSA-N 1 1 332.379 0.520 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(C#N)c(O)c1 ZINC000442632494 438611989 /nfs/dbraw/zinc/61/19/89/438611989.db2.gz DBJKSQIZQVBIES-OAHLLOKOSA-N 1 1 344.415 0.936 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)ccc1C#N ZINC000453645618 438686430 /nfs/dbraw/zinc/68/64/30/438686430.db2.gz GIQCDLKGIXEIPY-AWEZNQCLSA-N 1 1 329.404 0.999 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)ccc1C#N ZINC000453645618 438686433 /nfs/dbraw/zinc/68/64/33/438686433.db2.gz GIQCDLKGIXEIPY-AWEZNQCLSA-N 1 1 329.404 0.999 20 30 ECEDMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453700432 438689656 /nfs/dbraw/zinc/68/96/56/438689656.db2.gz AAMHMHKVDWCFDT-INIZCTEOSA-N 1 1 344.415 0.606 20 30 ECEDMO C=CCOC[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(=O)OC ZINC000451383518 438698929 /nfs/dbraw/zinc/69/89/29/438698929.db2.gz LHPKQZNRUKLVAA-CQSZACIVSA-N 1 1 330.344 0.741 20 30 ECEDMO C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](C)[N@@H+]1CCO ZINC000451650376 438703168 /nfs/dbraw/zinc/70/31/68/438703168.db2.gz ARBANNDGLFOPGD-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](C)N1CCO ZINC000451650376 438703173 /nfs/dbraw/zinc/70/31/73/438703173.db2.gz ARBANNDGLFOPGD-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](C)N1CCO ZINC000451650376 438703176 /nfs/dbraw/zinc/70/31/76/438703176.db2.gz ARBANNDGLFOPGD-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000453975678 438704456 /nfs/dbraw/zinc/70/44/56/438704456.db2.gz NODJDUFYMBAZKU-CYBMUJFWSA-N 1 1 332.408 0.678 20 30 ECEDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000453975678 438704458 /nfs/dbraw/zinc/70/44/58/438704458.db2.gz NODJDUFYMBAZKU-CYBMUJFWSA-N 1 1 332.408 0.678 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)C1 ZINC000588123627 438819220 /nfs/dbraw/zinc/81/92/20/438819220.db2.gz DLULMAXVDAOYCD-HNNXBMFYSA-N 1 1 349.479 0.185 20 30 ECEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588128614 438821141 /nfs/dbraw/zinc/82/11/41/438821141.db2.gz AGSDWRMMYBNNMP-INIZCTEOSA-N 1 1 349.479 0.423 20 30 ECEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000577350544 438834851 /nfs/dbraw/zinc/83/48/51/438834851.db2.gz KAWLOPWPVYJZEJ-FXAINCCUSA-N 1 1 346.774 0.743 20 30 ECEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000577350544 438834856 /nfs/dbraw/zinc/83/48/56/438834856.db2.gz KAWLOPWPVYJZEJ-FXAINCCUSA-N 1 1 346.774 0.743 20 30 ECEDMO CO[C@@]1(CO)CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000595660712 438841324 /nfs/dbraw/zinc/84/13/24/438841324.db2.gz UYGUTTKVNMMLCG-WMZOPIPTSA-N 1 1 334.416 0.966 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3[C@H](C)O)CC2)o1 ZINC000595766147 438858837 /nfs/dbraw/zinc/85/88/37/438858837.db2.gz MKCNESRNGNJDQQ-SWLSCSKDSA-N 1 1 347.419 0.349 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000515295574 438860912 /nfs/dbraw/zinc/86/09/12/438860912.db2.gz QLLPYMCJZQJXOT-CABCVRRESA-N 1 1 338.452 0.572 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCCC3(C#N)CCOCC3)C[C@H]21 ZINC000595784466 438861734 /nfs/dbraw/zinc/86/17/34/438861734.db2.gz KIIWTFRHFYDNTG-ZNMIVQPWSA-N 1 1 342.461 0.831 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595831618 438867908 /nfs/dbraw/zinc/86/79/08/438867908.db2.gz KTXLOKWZEVYESL-HNNXBMFYSA-N 1 1 331.420 0.587 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)C1 ZINC000590747022 438954151 /nfs/dbraw/zinc/95/41/51/438954151.db2.gz XALCKFUJBYALSK-HNNXBMFYSA-N 1 1 342.509 0.968 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000590759014 438956046 /nfs/dbraw/zinc/95/60/46/438956046.db2.gz SBHYYJDTUWWKJO-HNNXBMFYSA-N 1 1 337.445 0.878 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000590759014 438956051 /nfs/dbraw/zinc/95/60/51/438956051.db2.gz SBHYYJDTUWWKJO-HNNXBMFYSA-N 1 1 337.445 0.878 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC[N@H+]1C ZINC000601731723 438960592 /nfs/dbraw/zinc/96/05/92/438960592.db2.gz VZWLYOJZGXIWNM-RYUDHWBXSA-N 1 1 332.408 0.787 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150567 439166844 /nfs/dbraw/zinc/16/68/44/439166844.db2.gz GVCUUUZJTZZHCF-CKEIUWERSA-N 1 1 337.420 0.527 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150567 439166848 /nfs/dbraw/zinc/16/68/48/439166848.db2.gz GVCUUUZJTZZHCF-CKEIUWERSA-N 1 1 337.420 0.527 20 30 ECEDMO N#CC[C@]1(O)CC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000592150687 439166906 /nfs/dbraw/zinc/16/69/06/439166906.db2.gz HCSRVPRAFMUYNP-YOEHRIQHSA-N 1 1 344.371 0.215 20 30 ECEDMO N#CCC1(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000602802258 439136475 /nfs/dbraw/zinc/13/64/75/439136475.db2.gz PPLZUTFWFIRPCO-CQSZACIVSA-N 1 1 327.450 0.807 20 30 ECEDMO N#CCC1(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000602802258 439136479 /nfs/dbraw/zinc/13/64/79/439136479.db2.gz PPLZUTFWFIRPCO-CQSZACIVSA-N 1 1 327.450 0.807 20 30 ECEDMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592145161 439163738 /nfs/dbraw/zinc/16/37/38/439163738.db2.gz MIQJWHYUENKAOV-PBHICJAKSA-N 1 1 334.372 0.563 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](C(=O)NC)(C(F)(F)F)C1 ZINC000592184894 439174507 /nfs/dbraw/zinc/17/45/07/439174507.db2.gz MHAQUYBEVQODGD-SMDDNHRTSA-N 1 1 348.369 0.995 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@](C(=O)NC)(C(F)(F)F)C1 ZINC000592184894 439174514 /nfs/dbraw/zinc/17/45/14/439174514.db2.gz MHAQUYBEVQODGD-SMDDNHRTSA-N 1 1 348.369 0.995 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000592206432 439183399 /nfs/dbraw/zinc/18/33/99/439183399.db2.gz GEAYWTGBLYXQQP-NFFDBFGFSA-N 1 1 325.409 0.285 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000592206432 439183401 /nfs/dbraw/zinc/18/34/01/439183401.db2.gz GEAYWTGBLYXQQP-NFFDBFGFSA-N 1 1 325.409 0.285 20 30 ECEDMO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)nc1 ZINC000568078574 439211168 /nfs/dbraw/zinc/21/11/68/439211168.db2.gz WYHNPYXQQVDBJQ-UHFFFAOYSA-N 1 1 332.385 0.920 20 30 ECEDMO C=CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000489105063 439214437 /nfs/dbraw/zinc/21/44/37/439214437.db2.gz SOOAKZQIKPDIBI-CQSZACIVSA-N 1 1 329.466 0.521 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)c(F)c1 ZINC000568510771 439252771 /nfs/dbraw/zinc/25/27/71/439252771.db2.gz AJQBXYXJKWYTAB-QWHCGFSZSA-N 1 1 325.365 0.449 20 30 ECEDMO CCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H](C)C#N ZINC000598359327 439255621 /nfs/dbraw/zinc/25/56/21/439255621.db2.gz KJLGARJOMLPBMP-CABCVRRESA-N 1 1 336.436 0.460 20 30 ECEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000603402457 439256230 /nfs/dbraw/zinc/25/62/30/439256230.db2.gz JPRZUAKJZJCGEL-UHFFFAOYSA-N 1 1 337.449 0.259 20 30 ECEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000603403332 439256551 /nfs/dbraw/zinc/25/65/51/439256551.db2.gz OMISSGUGGAXUGA-UHFFFAOYSA-N 1 1 328.482 0.627 20 30 ECEDMO CSc1[n-]c(=O)c(C(=O)NCC[N@H+]2CCCOCC2)cc1C#N ZINC000527369549 439268518 /nfs/dbraw/zinc/26/85/18/439268518.db2.gz JMWXCXLZMKKTJR-UHFFFAOYSA-N 1 1 336.417 0.833 20 30 ECEDMO CSc1[n-]c(=O)c(C(=O)NCCN2CCCOCC2)cc1C#N ZINC000527369549 439268520 /nfs/dbraw/zinc/26/85/20/439268520.db2.gz JMWXCXLZMKKTJR-UHFFFAOYSA-N 1 1 336.417 0.833 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000490556641 439273406 /nfs/dbraw/zinc/27/34/06/439273406.db2.gz WJNCIZJSXDEZPW-AWEZNQCLSA-N 1 1 347.440 0.565 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCSC3(CCOCC3)C2)CC1 ZINC000491021053 439324553 /nfs/dbraw/zinc/32/45/53/439324553.db2.gz KNPKTKKFNIEGMG-UHFFFAOYSA-N 1 1 337.489 0.362 20 30 ECEDMO C#CCN(C(=O)C(=O)NCCCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000491072096 439328042 /nfs/dbraw/zinc/32/80/42/439328042.db2.gz PMGYUBJYSVDBEM-UHFFFAOYSA-N 1 1 348.491 0.535 20 30 ECEDMO C#CCNC(=O)C1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000491105466 439331597 /nfs/dbraw/zinc/33/15/97/439331597.db2.gz VZRJQHICCLCEGD-UHFFFAOYSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CCN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000491146974 439336797 /nfs/dbraw/zinc/33/67/97/439336797.db2.gz PRUGDSXVWYBFIM-UHFFFAOYSA-N 1 1 348.491 0.533 20 30 ECEDMO N#CC[C@]1(O)CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000592840261 439288652 /nfs/dbraw/zinc/28/86/52/439288652.db2.gz TVLBGSSHVXYLML-IBGZPJMESA-N 1 1 342.443 0.681 20 30 ECEDMO C#CCN(CC#CC)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000490699566 439288878 /nfs/dbraw/zinc/28/88/78/439288878.db2.gz QPDYXORZYXNPMK-KRWDZBQOSA-N 1 1 345.443 0.185 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000598615359 439289988 /nfs/dbraw/zinc/28/99/88/439289988.db2.gz XDRZVECRNVRIID-KBPBESRZSA-N 1 1 329.466 0.787 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)CC1 ZINC000490853823 439304152 /nfs/dbraw/zinc/30/41/52/439304152.db2.gz UUZLIHYGUNJCEF-ZWKOTPCHSA-N 1 1 348.491 0.485 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)CC1 ZINC000490853823 439304155 /nfs/dbraw/zinc/30/41/55/439304155.db2.gz UUZLIHYGUNJCEF-ZWKOTPCHSA-N 1 1 348.491 0.485 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(OCC(N)=O)c(OC)c1 ZINC000490893458 439307951 /nfs/dbraw/zinc/30/79/51/439307951.db2.gz UMEZRRVOROFGIN-CQSZACIVSA-N 1 1 346.383 0.814 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](CC)CCC)[C@H]1CCS(=O)(=O)C1 ZINC000490915284 439311588 /nfs/dbraw/zinc/31/15/88/439311588.db2.gz MUFJZUKIUSLWII-AWEZNQCLSA-N 1 1 329.466 0.550 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000490916755 439311622 /nfs/dbraw/zinc/31/16/22/439311622.db2.gz VDKOXPNMGDSPHA-UKRRQHHQSA-N 1 1 339.461 0.303 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000491295281 439362479 /nfs/dbraw/zinc/36/24/79/439362479.db2.gz GIXJDBMZGDUIBY-KSZLIROESA-N 1 1 333.476 0.779 20 30 ECEDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(C#N)n3)C2)C1 ZINC000569808942 439363837 /nfs/dbraw/zinc/36/38/37/439363837.db2.gz XVZOIUCUFTWQOT-QGZVFWFLSA-N 1 1 327.388 0.836 20 30 ECEDMO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000491193387 439346502 /nfs/dbraw/zinc/34/65/02/439346502.db2.gz YQPHWDFZGFKKFW-KSSFIOAISA-N 1 1 332.448 0.891 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528535792 439347417 /nfs/dbraw/zinc/34/74/17/439347417.db2.gz HKIJYDLPQUNNEJ-UHFFFAOYSA-N 1 1 344.481 0.653 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)COc2ccccc2C#N)CC1 ZINC000582596844 439354433 /nfs/dbraw/zinc/35/44/33/439354433.db2.gz BKURNXYCYFACIF-UHFFFAOYSA-N 1 1 330.388 0.217 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528752650 439369511 /nfs/dbraw/zinc/36/95/11/439369511.db2.gz ZYNNHOHTGBPVEG-LLLHUVSDSA-N 1 1 325.453 0.742 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528752650 439369514 /nfs/dbraw/zinc/36/95/14/439369514.db2.gz ZYNNHOHTGBPVEG-LLLHUVSDSA-N 1 1 325.453 0.742 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000491386245 439374850 /nfs/dbraw/zinc/37/48/50/439374850.db2.gz UPNKUOYGEMOMCY-UHFFFAOYSA-N 1 1 338.411 0.636 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000491473996 439390130 /nfs/dbraw/zinc/39/01/30/439390130.db2.gz JEJXICKVHHITHY-UHFFFAOYSA-N 1 1 339.443 0.483 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000491546658 439404034 /nfs/dbraw/zinc/40/40/34/439404034.db2.gz WOAQRVDWNKYXJU-AWEZNQCLSA-N 1 1 329.466 0.119 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC000491638504 439416473 /nfs/dbraw/zinc/41/64/73/439416473.db2.gz VXGFOOQPOUUAPH-UHFFFAOYSA-N 1 1 339.436 0.694 20 30 ECEDMO C=CCN1C(=O)C(=O)N(Cc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000583078497 439417285 /nfs/dbraw/zinc/41/72/85/439417285.db2.gz QFLSCHVRJDAIGL-UHFFFAOYSA-N 1 1 343.383 0.996 20 30 ECEDMO C#CC[NH+](C)CCCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000491661996 439422401 /nfs/dbraw/zinc/42/24/01/439422401.db2.gz GKIRWLKSTJICRQ-SJORKVTESA-N 1 1 348.491 0.391 20 30 ECEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)CCOCC1 ZINC000599299057 439424559 /nfs/dbraw/zinc/42/45/59/439424559.db2.gz AGKPNJCZJIZTGR-IAGOWNOFSA-N 1 1 337.464 0.712 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000491699110 439429691 /nfs/dbraw/zinc/42/96/91/439429691.db2.gz BEWVOYGYSWBSAU-CYBMUJFWSA-N 1 1 341.415 0.753 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000491699110 439429697 /nfs/dbraw/zinc/42/96/97/439429697.db2.gz BEWVOYGYSWBSAU-CYBMUJFWSA-N 1 1 341.415 0.753 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000491699110 439429700 /nfs/dbraw/zinc/42/97/00/439429700.db2.gz BEWVOYGYSWBSAU-CYBMUJFWSA-N 1 1 341.415 0.753 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CCC(=O)NC)CC1 ZINC000491707873 439433030 /nfs/dbraw/zinc/43/30/30/439433030.db2.gz PCPQAIYYGKGLBG-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO C#C[C@H]1COCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000491714337 439433354 /nfs/dbraw/zinc/43/33/54/439433354.db2.gz GGGWVMJBUATNJD-SFHVURJKSA-N 1 1 327.428 0.665 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](CC)C1 ZINC000491751066 439442421 /nfs/dbraw/zinc/44/24/21/439442421.db2.gz XGPFQPAPAIAKNT-KBPBESRZSA-N 1 1 329.466 0.549 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](CC)C1 ZINC000491751066 439442425 /nfs/dbraw/zinc/44/24/25/439442425.db2.gz XGPFQPAPAIAKNT-KBPBESRZSA-N 1 1 329.466 0.549 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000491758243 439444527 /nfs/dbraw/zinc/44/45/27/439444527.db2.gz HWWYGVJSEOQOEE-INIZCTEOSA-N 1 1 334.464 0.143 20 30 ECEDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599385794 439452088 /nfs/dbraw/zinc/45/20/88/439452088.db2.gz NBMVXCFPIYMVDL-GJZGRUSLSA-N 1 1 344.477 0.957 20 30 ECEDMO COC(=O)[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000599266202 439408250 /nfs/dbraw/zinc/40/82/50/439408250.db2.gz SIOOOPRWGDGXAW-CYBMUJFWSA-N 1 1 326.352 0.781 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](CCOC[C@@H]3CCCO3)CC2)c1C#N ZINC000530413416 439498048 /nfs/dbraw/zinc/49/80/48/439498048.db2.gz NEOXXWSEDZDUST-HNNXBMFYSA-N 1 1 333.436 0.918 20 30 ECEDMO Cn1cc[nH+]c1[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000593968291 439503432 /nfs/dbraw/zinc/50/34/32/439503432.db2.gz PTTJSBZHTXGOBI-CQSZACIVSA-N 1 1 345.428 0.950 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000599558314 439503589 /nfs/dbraw/zinc/50/35/89/439503589.db2.gz HWJPRWAWEMJMSJ-QAPCUYQASA-N 1 1 348.399 0.756 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000491814968 439457290 /nfs/dbraw/zinc/45/72/90/439457290.db2.gz DZDRTGLZROENAI-UHFFFAOYSA-N 1 1 339.399 0.656 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000543178736 439559335 /nfs/dbraw/zinc/55/93/35/439559335.db2.gz GLKURBCVTVLWFD-AWEZNQCLSA-N 1 1 329.466 0.903 20 30 ECEDMO CN1CC[NH+](C(C)(C)CNC(=O)NC2CCN(CC#N)CC2)CC1 ZINC000609339776 439566890 /nfs/dbraw/zinc/56/68/90/439566890.db2.gz RBUPAUIGRUVBPI-UHFFFAOYSA-N 1 1 336.484 0.300 20 30 ECEDMO CCC[C@H](C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000609516927 439573514 /nfs/dbraw/zinc/57/35/14/439573514.db2.gz UCROIDKIRUKEIS-CABCVRRESA-N 1 1 336.436 0.508 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000599940217 439581692 /nfs/dbraw/zinc/58/16/92/439581692.db2.gz MXEOUZNKTMVGKT-NVXWUHKLSA-N 1 1 328.416 0.905 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 ZINC000609672421 439582319 /nfs/dbraw/zinc/58/23/19/439582319.db2.gz GIUHOVVFXUPVII-QGZVFWFLSA-N 1 1 346.479 0.354 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)ccc1Cl ZINC000600070037 439608687 /nfs/dbraw/zinc/60/86/87/439608687.db2.gz CMRJZKMVVLFANO-GFCCVEGCSA-N 1 1 336.779 0.333 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1)C1CC1 ZINC000585718666 439645188 /nfs/dbraw/zinc/64/51/88/439645188.db2.gz RRNNSXVNAAIILQ-FUHWJXTLSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](N2CCOCC2)CC1)C1CC1 ZINC000585718666 439645191 /nfs/dbraw/zinc/64/51/91/439645191.db2.gz RRNNSXVNAAIILQ-FUHWJXTLSA-N 1 1 334.464 0.982 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610906827 439656871 /nfs/dbraw/zinc/65/68/71/439656871.db2.gz AYLANYWVOOSGSA-XHDPSFHLSA-N 1 1 346.387 0.341 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610906827 439656876 /nfs/dbraw/zinc/65/68/76/439656876.db2.gz AYLANYWVOOSGSA-XHDPSFHLSA-N 1 1 346.387 0.341 20 30 ECEDMO N#Cc1cccc(NC(=O)C2CC[NH+]([C@@H]3CC(=O)NC3=O)CC2)c1 ZINC000574336292 439699901 /nfs/dbraw/zinc/69/99/01/439699901.db2.gz NFOAIYLFAALKCT-CQSZACIVSA-N 1 1 326.356 0.624 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@@H](O)C[C@](C)(O)C3CC3)CC2)c1C#N ZINC000600846123 439709585 /nfs/dbraw/zinc/70/95/85/439709585.db2.gz MEJXERWPKANWOM-YJBOKZPZSA-N 1 1 347.463 0.634 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CC[N@H+](C2CC2)C1 ZINC000574636138 439718288 /nfs/dbraw/zinc/71/82/88/439718288.db2.gz IOJRKYYXAGAQMC-LBPRGKRZSA-N 1 1 327.388 0.834 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595214621 439674825 /nfs/dbraw/zinc/67/48/25/439674825.db2.gz JAQPAOOAECBXBE-INIZCTEOSA-N 1 1 342.399 0.554 20 30 ECEDMO N#Cc1ccnc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000611242199 439684805 /nfs/dbraw/zinc/68/48/05/439684805.db2.gz BLXGKIMWJBEKRF-ZDUSSCGKSA-N 1 1 344.375 0.780 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001041732488 782077394 /nfs/dbraw/zinc/07/73/94/782077394.db2.gz VREYLVFLQHYLRG-DKGMDFAASA-N 1 1 345.443 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001041732488 782077403 /nfs/dbraw/zinc/07/74/03/782077403.db2.gz VREYLVFLQHYLRG-DKGMDFAASA-N 1 1 345.443 0.130 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)NC)C3)C2)nn1 ZINC001041733505 782079406 /nfs/dbraw/zinc/07/94/06/782079406.db2.gz XKUBVVDCVZFKIP-QGZVFWFLSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000641652331 439881340 /nfs/dbraw/zinc/88/13/40/439881340.db2.gz RCJLTLJOBXBMPC-CQSZACIVSA-N 1 1 337.445 0.406 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000641652331 439881346 /nfs/dbraw/zinc/88/13/46/439881346.db2.gz RCJLTLJOBXBMPC-CQSZACIVSA-N 1 1 337.445 0.406 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000636547581 439923489 /nfs/dbraw/zinc/92/34/89/439923489.db2.gz KZYBOPRFINBETI-UHFFFAOYSA-N 1 1 338.496 0.849 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNC(=O)NC2CCN(CC#N)CC2)CCCO1 ZINC000617913169 440028283 /nfs/dbraw/zinc/02/82/83/440028283.db2.gz ZNFVLBKGWQMMGZ-HNNXBMFYSA-N 1 1 337.468 0.774 20 30 ECEDMO C=CCCn1cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)nn1 ZINC000653569597 440209920 /nfs/dbraw/zinc/20/99/20/440209920.db2.gz ZCIZCCFJGUKMDK-UHFFFAOYSA-N 1 1 327.454 0.710 20 30 ECEDMO C=CCCn1cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)nn1 ZINC000653569597 440209926 /nfs/dbraw/zinc/20/99/26/440209926.db2.gz ZCIZCCFJGUKMDK-UHFFFAOYSA-N 1 1 327.454 0.710 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC000648774558 440324746 /nfs/dbraw/zinc/32/47/46/440324746.db2.gz BRKYVAUSUSFYHW-OAHLLOKOSA-N 1 1 332.452 0.706 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)nn1 ZINC000648779761 440326916 /nfs/dbraw/zinc/32/69/16/440326916.db2.gz DRBJRUUYFYKAQJ-HNNXBMFYSA-N 1 1 332.452 0.705 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)nn1 ZINC000648779761 440326922 /nfs/dbraw/zinc/32/69/22/440326922.db2.gz DRBJRUUYFYKAQJ-HNNXBMFYSA-N 1 1 332.452 0.705 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)nn1 ZINC000645036990 440733155 /nfs/dbraw/zinc/73/31/55/440733155.db2.gz OXMZSRSLVDTRMM-OAHLLOKOSA-N 1 1 334.424 0.470 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661178871 440807840 /nfs/dbraw/zinc/80/78/40/440807840.db2.gz BMJROVXBPBFRNX-BMFZPTHFSA-N 1 1 341.411 0.794 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703342 440766449 /nfs/dbraw/zinc/76/64/49/440766449.db2.gz RJGXMRVSEWBNTG-DZGCQCFKSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703342 440766451 /nfs/dbraw/zinc/76/64/51/440766451.db2.gz RJGXMRVSEWBNTG-DZGCQCFKSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000656899815 440868082 /nfs/dbraw/zinc/86/80/82/440868082.db2.gz PEBPRTQPIDIBDY-DZGCQCFKSA-N 1 1 332.466 0.608 20 30 ECEDMO CN1CCCC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635788128 440981873 /nfs/dbraw/zinc/98/18/73/440981873.db2.gz XYGNEIKMIUWCLG-HOTGVXAUSA-N 1 1 334.464 0.191 20 30 ECEDMO CN1CCCC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635788128 440981877 /nfs/dbraw/zinc/98/18/77/440981877.db2.gz XYGNEIKMIUWCLG-HOTGVXAUSA-N 1 1 334.464 0.191 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@H+]1CC=CCC1 ZINC000564841167 322398264 /nfs/dbraw/zinc/39/82/64/322398264.db2.gz VZZKHLRKLZINRC-UHFFFAOYSA-N 1 1 328.372 0.883 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000564841167 322398266 /nfs/dbraw/zinc/39/82/66/322398266.db2.gz VZZKHLRKLZINRC-UHFFFAOYSA-N 1 1 328.372 0.883 20 30 ECEDMO COC(=O)c1ccc(N2CCN(c3[nH+]ccn3C)CC2)c(C#N)n1 ZINC000578247173 322859601 /nfs/dbraw/zinc/85/96/01/322859601.db2.gz NHVBOLQYTFLWLM-UHFFFAOYSA-N 1 1 326.360 0.800 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CCN(C(=O)c4cnon4)C3)C2)C1=O ZINC001041747737 782115809 /nfs/dbraw/zinc/11/58/09/782115809.db2.gz BTVIMDSSNOQFQL-RHSMWYFYSA-N 1 1 345.403 0.395 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)NC)cc2)CC1 ZINC000171537400 526451532 /nfs/dbraw/zinc/45/15/32/526451532.db2.gz ODDNUCLKLRNCMG-UHFFFAOYSA-N 1 1 337.445 0.975 20 30 ECEDMO CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000328753507 546006006 /nfs/dbraw/zinc/00/60/06/546006006.db2.gz RZADMZQLWOAGMQ-MJBXVCDLSA-N 1 1 344.481 0.541 20 30 ECEDMO C[N@H+]1CCCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000329200499 546016508 /nfs/dbraw/zinc/01/65/08/546016508.db2.gz BJUWIUDLMGQATA-UHFFFAOYSA-N 1 1 332.470 0.257 20 30 ECEDMO CN1C(=O)N[C@@]2(CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC000329280316 546018592 /nfs/dbraw/zinc/01/85/92/546018592.db2.gz LZOLNYHIEGFWNY-BHHCIPQWSA-N 1 1 349.435 0.746 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000329400099 546022708 /nfs/dbraw/zinc/02/27/08/546022708.db2.gz YOPRSIDUDPGUSW-INIZCTEOSA-N 1 1 346.479 0.800 20 30 ECEDMO Cn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3COCCO3)CC2)cn1 ZINC000329460668 546024932 /nfs/dbraw/zinc/02/49/32/546024932.db2.gz PIKDOLXJCQVDFP-OAHLLOKOSA-N 1 1 337.424 0.257 20 30 ECEDMO Cn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]3COCCO3)CC2)cn1 ZINC000329460668 546024938 /nfs/dbraw/zinc/02/49/38/546024938.db2.gz PIKDOLXJCQVDFP-OAHLLOKOSA-N 1 1 337.424 0.257 20 30 ECEDMO CNC(=O)CCC[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625263106 547056063 /nfs/dbraw/zinc/05/60/63/547056063.db2.gz ALCPHVPISMZKRE-UHFFFAOYSA-N 1 1 327.384 0.744 20 30 ECEDMO C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)CCNC(C)=O ZINC000669032925 547816337 /nfs/dbraw/zinc/81/63/37/547816337.db2.gz YWJNSZJVNINXHU-CABCVRRESA-N 1 1 348.451 0.572 20 30 ECEDMO C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639679 548364845 /nfs/dbraw/zinc/36/48/45/548364845.db2.gz DXNXUYZSVJODBM-OAHLLOKOSA-N 1 1 336.480 0.744 20 30 ECEDMO C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639679 548364849 /nfs/dbraw/zinc/36/48/49/548364849.db2.gz DXNXUYZSVJODBM-OAHLLOKOSA-N 1 1 336.480 0.744 20 30 ECEDMO COCC#CC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000677817936 548958622 /nfs/dbraw/zinc/95/86/22/548958622.db2.gz RJDGVBQSQGIYRL-UHFFFAOYSA-N 1 1 342.383 0.925 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)nc1 ZINC001078031064 782176137 /nfs/dbraw/zinc/17/61/37/782176137.db2.gz ADDUWXWNYBTVEH-DJIMGWMZSA-N 1 1 343.427 0.653 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)cn1 ZINC001078032672 782181310 /nfs/dbraw/zinc/18/13/10/782181310.db2.gz ZXUXQQUDQPCUTJ-BMGDILEWSA-N 1 1 343.427 0.655 20 30 ECEDMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2cccc(F)c2C#N)n1C ZINC000751086770 579363114 /nfs/dbraw/zinc/36/31/14/579363114.db2.gz VLRIYDIDFDAMQR-UHFFFAOYSA-N 1 1 337.380 0.975 20 30 ECEDMO NC(=O)c1cccc(C=NNC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000755522269 579434614 /nfs/dbraw/zinc/43/46/14/579434614.db2.gz YFBREKVSFJMWJI-UHFFFAOYSA-N 1 1 349.460 0.306 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)NCCC)CC2)cn1 ZINC000728813313 578291335 /nfs/dbraw/zinc/29/13/35/578291335.db2.gz LEUSRTIUGJBWRE-UHFFFAOYSA-N 1 1 328.416 0.783 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000730277853 578304394 /nfs/dbraw/zinc/30/43/94/578304394.db2.gz FMIIJMQPVBIFSX-KRWDZBQOSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000730277853 578304395 /nfs/dbraw/zinc/30/43/95/578304395.db2.gz FMIIJMQPVBIFSX-KRWDZBQOSA-N 1 1 346.475 0.097 20 30 ECEDMO CCN(CCO)c1ccc(C=[NH+]NC(=S)NCC(N)=O)c(C)c1 ZINC000731929826 578317888 /nfs/dbraw/zinc/31/78/88/578317888.db2.gz LSPKGXWCOYNWDQ-UHFFFAOYSA-N 1 1 337.449 0.097 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCN1C1CC1 ZINC000732677385 578328672 /nfs/dbraw/zinc/32/86/72/578328672.db2.gz MCQYSNGPVXXSGU-XHSDSOJGSA-N 1 1 333.436 0.231 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)nc1 ZINC000734466800 578360506 /nfs/dbraw/zinc/36/05/06/578360506.db2.gz NCYVZUWJTVFOJW-INIZCTEOSA-N 1 1 328.416 0.199 20 30 ECEDMO Cn1c(CC#N)nn(CN2CCC[C@H]2C[NH+]2CCOCC2)c1=S ZINC000794630936 578596437 /nfs/dbraw/zinc/59/64/37/578596437.db2.gz BDDPKUZHFZUEEB-ZDUSSCGKSA-N 1 1 336.465 0.771 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000798452554 578645775 /nfs/dbraw/zinc/64/57/75/578645775.db2.gz IYUVVWKAHQYNST-ROUUACIJSA-N 1 1 345.443 0.827 20 30 ECEDMO N#Cc1ccc([C@@H](O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000780983017 578704084 /nfs/dbraw/zinc/70/40/84/578704084.db2.gz CWYXJMLEYGMZLM-IAGOWNOFSA-N 1 1 331.416 0.945 20 30 ECEDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCC2)cn1 ZINC000784347149 578750882 /nfs/dbraw/zinc/75/08/82/578750882.db2.gz QFAWZEBTGPMQTP-GJZGRUSLSA-N 1 1 331.420 0.870 20 30 ECEDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)cn1 ZINC000784347149 578750883 /nfs/dbraw/zinc/75/08/83/578750883.db2.gz QFAWZEBTGPMQTP-GJZGRUSLSA-N 1 1 331.420 0.870 20 30 ECEDMO C#CCOCCNC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000784552608 578754124 /nfs/dbraw/zinc/75/41/24/578754124.db2.gz UCHZVVDEQZKRPU-UHFFFAOYSA-N 1 1 338.452 0.222 20 30 ECEDMO C#CCOCCNC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000784552608 578754125 /nfs/dbraw/zinc/75/41/25/578754125.db2.gz UCHZVVDEQZKRPU-UHFFFAOYSA-N 1 1 338.452 0.222 20 30 ECEDMO N#Cc1cccc([C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CCO2)c1 ZINC000765380790 579064253 /nfs/dbraw/zinc/06/42/53/579064253.db2.gz KCKMJXLRNOTSFU-MSOLQXFVSA-N 1 1 340.427 0.848 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](C(C)C)N2CCCS2(=O)=O)CC1 ZINC000772694230 579212490 /nfs/dbraw/zinc/21/24/90/579212490.db2.gz MIQXCTGNLWMFCL-HNNXBMFYSA-N 1 1 341.477 0.214 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000773697337 579232289 /nfs/dbraw/zinc/23/22/89/579232289.db2.gz VMIJCBBUDZXOAA-MSOLQXFVSA-N 1 1 333.476 0.902 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[C@H]1CCCO1 ZINC000773791997 579233922 /nfs/dbraw/zinc/23/39/22/579233922.db2.gz PBVJSYQHFQRLJL-JKSUJKDBSA-N 1 1 327.384 0.868 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[C@H]1CCCO1 ZINC000773791997 579233923 /nfs/dbraw/zinc/23/39/23/579233923.db2.gz PBVJSYQHFQRLJL-JKSUJKDBSA-N 1 1 327.384 0.868 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)[C@@H]1CCCO1 ZINC000775785344 579271231 /nfs/dbraw/zinc/27/12/31/579271231.db2.gz OKROOEHPLZHLDZ-IRXDYDNUSA-N 1 1 349.475 0.862 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000775806489 579271798 /nfs/dbraw/zinc/27/17/98/579271798.db2.gz LUIRVPISZIRSMN-ZIAGYGMSSA-N 1 1 337.401 0.043 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@H]1CCCO1 ZINC000776228074 579278227 /nfs/dbraw/zinc/27/82/27/579278227.db2.gz OETGOVSFCJSODP-YESZJQIVSA-N 1 1 334.464 0.589 20 30 ECEDMO C#CCC[NH+]1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000776592874 579285385 /nfs/dbraw/zinc/28/53/85/579285385.db2.gz BSYHYBOWMVKTGZ-UHFFFAOYSA-N 1 1 332.429 0.649 20 30 ECEDMO CC(=NNC(=S)NCC(N)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779776566 579320601 /nfs/dbraw/zinc/32/06/01/579320601.db2.gz PBAPFIONQYNDGZ-AWEZNQCLSA-N 1 1 333.461 0.834 20 30 ECEDMO CC[N@H+]1CCC(=NNC(=S)NCCCN2CCOCC2)[C@H](C)C1 ZINC000741458401 579774707 /nfs/dbraw/zinc/77/47/07/579774707.db2.gz ZMESJXNVSQGUJO-CQSZACIVSA-N 1 1 341.525 0.891 20 30 ECEDMO CCC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cnn(C)c1 ZINC000741804620 579777849 /nfs/dbraw/zinc/77/78/49/579777849.db2.gz DQMMTWYNBGGXLM-UHFFFAOYSA-N 1 1 338.481 0.721 20 30 ECEDMO COC(=O)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CCOCC1 ZINC000743871601 579802895 /nfs/dbraw/zinc/80/28/95/579802895.db2.gz KTHXIJBDUWZUQP-KRWDZBQOSA-N 1 1 337.420 0.839 20 30 ECEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746355529 579836776 /nfs/dbraw/zinc/83/67/76/579836776.db2.gz IUPCMTOQZOXZHV-AWEZNQCLSA-N 1 1 346.435 0.973 20 30 ECEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746378181 579837438 /nfs/dbraw/zinc/83/74/38/579837438.db2.gz PRGMQTJAIKHECG-OLZOCXBDSA-N 1 1 332.408 0.582 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000747980167 579855914 /nfs/dbraw/zinc/85/59/14/579855914.db2.gz SHWJXPZVIRWKHG-HOTGVXAUSA-N 1 1 332.448 0.784 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000837858798 588963361 /nfs/dbraw/zinc/96/33/61/588963361.db2.gz AYYUAYAQSLTRQX-HNNXBMFYSA-N 1 1 346.435 0.511 20 30 ECEDMO C=CCC[C@@H]1NC(=O)N(C2CC[NH+](CC(=O)NCCC)CC2)C1=O ZINC000842234504 589023437 /nfs/dbraw/zinc/02/34/37/589023437.db2.gz ARMFNAYOGMABAI-AWEZNQCLSA-N 1 1 336.436 0.864 20 30 ECEDMO C#CC1(F)CN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000891169279 586085434 /nfs/dbraw/zinc/08/54/34/586085434.db2.gz QSYIHZSMZHZEPT-UHFFFAOYSA-N 1 1 346.362 0.309 20 30 ECEDMO C#CC1(O)CN(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000895976011 586215427 /nfs/dbraw/zinc/21/54/27/586215427.db2.gz BECHEPOCDQDYRS-OAHLLOKOSA-N 1 1 329.400 0.659 20 30 ECEDMO C#CC1(O)CN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000895976011 586215429 /nfs/dbraw/zinc/21/54/29/586215429.db2.gz BECHEPOCDQDYRS-OAHLLOKOSA-N 1 1 329.400 0.659 20 30 ECEDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC#C[C@H]1CCCCO1 ZINC000895968638 586215451 /nfs/dbraw/zinc/21/54/51/586215451.db2.gz PRKXNHXWEBMQPD-CABCVRRESA-N 1 1 336.436 0.198 20 30 ECEDMO CN1CCC[C@H]1c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)[nH]n1 ZINC000896993149 586280127 /nfs/dbraw/zinc/28/01/27/586280127.db2.gz OCRMYGJVVOLTER-AWEZNQCLSA-N 1 1 330.392 0.374 20 30 ECEDMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)n[nH]1 ZINC000896993149 586280129 /nfs/dbraw/zinc/28/01/29/586280129.db2.gz OCRMYGJVVOLTER-AWEZNQCLSA-N 1 1 330.392 0.374 20 30 ECEDMO C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)n[nH]1 ZINC000896993149 586280130 /nfs/dbraw/zinc/28/01/30/586280130.db2.gz OCRMYGJVVOLTER-AWEZNQCLSA-N 1 1 330.392 0.374 20 30 ECEDMO C#CC1(O)CN(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000893265686 586320534 /nfs/dbraw/zinc/32/05/34/586320534.db2.gz BURWPEXFWQVVAJ-UHFFFAOYSA-N 1 1 334.464 0.326 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](O)(C2(C(=O)OC)CCC2)C1 ZINC000888203170 586321324 /nfs/dbraw/zinc/32/13/24/586321324.db2.gz IFFJYYVPXGYBFR-HNAYVOBHSA-N 1 1 348.443 0.781 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](O)(C2(C(=O)OC)CCC2)C1 ZINC000888203170 586321326 /nfs/dbraw/zinc/32/13/26/586321326.db2.gz IFFJYYVPXGYBFR-HNAYVOBHSA-N 1 1 348.443 0.781 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+](C)C1 ZINC000840504351 586380802 /nfs/dbraw/zinc/38/08/02/586380802.db2.gz PZBLPPALEKXAON-OAHLLOKOSA-N 1 1 345.399 0.695 20 30 ECEDMO N#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)nc1 ZINC000894320045 586386821 /nfs/dbraw/zinc/38/68/21/586386821.db2.gz CBUBOGWAWMLACL-CVEARBPZSA-N 1 1 329.404 0.694 20 30 ECEDMO C=C(CC[NH+](C)C)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000900398202 586629649 /nfs/dbraw/zinc/62/96/49/586629649.db2.gz HVSSNIXHDWPERL-UHFFFAOYSA-N 1 1 331.464 0.958 20 30 ECEDMO CC(C)N1CC[NH+](CCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000900670312 586654463 /nfs/dbraw/zinc/65/44/63/586654463.db2.gz ACUXWKXUVXAZOW-KRWDZBQOSA-N 1 1 333.480 0.601 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCSC[C@H]2C#N)C1 ZINC000901323268 586708167 /nfs/dbraw/zinc/70/81/67/586708167.db2.gz QNLJZZGHBYQNHQ-CHWSQXEVSA-N 1 1 325.434 0.729 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCSC[C@H]2C#N)C1 ZINC000901323268 586708169 /nfs/dbraw/zinc/70/81/69/586708169.db2.gz QNLJZZGHBYQNHQ-CHWSQXEVSA-N 1 1 325.434 0.729 20 30 ECEDMO C#CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000888294135 586760812 /nfs/dbraw/zinc/76/08/12/586760812.db2.gz RCQRJPSELIYMHS-IAGOWNOFSA-N 1 1 334.464 0.448 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794098 586813829 /nfs/dbraw/zinc/81/38/29/586813829.db2.gz NLFNLEUUIHWPMI-UHFFFAOYSA-N 1 1 330.432 0.991 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000838624426 586819256 /nfs/dbraw/zinc/81/92/56/586819256.db2.gz YHKXTDZELKRXND-CQSZACIVSA-N 1 1 344.481 0.055 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](CO)[C@H](O)C2)cc1 ZINC000839170641 586840309 /nfs/dbraw/zinc/84/03/09/586840309.db2.gz QOIVRZQQAZAZQG-ZMSDIMECSA-N 1 1 331.416 0.915 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1 ZINC000839170641 586840311 /nfs/dbraw/zinc/84/03/11/586840311.db2.gz QOIVRZQQAZAZQG-ZMSDIMECSA-N 1 1 331.416 0.915 20 30 ECEDMO C#C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000839563041 586880403 /nfs/dbraw/zinc/88/04/03/586880403.db2.gz FNGXIUHRRMJRJA-QWHCGFSZSA-N 1 1 331.434 0.513 20 30 ECEDMO C#CCN1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105322136 589079484 /nfs/dbraw/zinc/07/94/84/589079484.db2.gz LLIKOIXTJZZORK-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCc1ccc(C#N)cn1 ZINC000812202179 587232497 /nfs/dbraw/zinc/23/24/97/587232497.db2.gz SDBDAZFPWIMMCU-UHFFFAOYSA-N 1 1 332.452 0.978 20 30 ECEDMO CN(CCCN(C)C(=O)NCc1ccc(C#N)cn1)CC[NH+](C)C ZINC000812202179 587232498 /nfs/dbraw/zinc/23/24/98/587232498.db2.gz SDBDAZFPWIMMCU-UHFFFAOYSA-N 1 1 332.452 0.978 20 30 ECEDMO C=C(Br)CNC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000840273491 587245068 /nfs/dbraw/zinc/24/50/68/587245068.db2.gz ROJFSEUBJOTUCF-JTQLQIEISA-N 1 1 334.214 0.641 20 30 ECEDMO O=C(N[C@H]1CCCN(O)C1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000816756171 587324317 /nfs/dbraw/zinc/32/43/17/587324317.db2.gz RTUGYFOHRJESTQ-LSDHHAIUSA-N 1 1 333.388 0.384 20 30 ECEDMO O=C(N[C@H]1CCCN(O)C1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000816756171 587324320 /nfs/dbraw/zinc/32/43/20/587324320.db2.gz RTUGYFOHRJESTQ-LSDHHAIUSA-N 1 1 333.388 0.384 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[NH+](C(COC)COC)CC1)[C@H]1CCCO1 ZINC000840349487 587386327 /nfs/dbraw/zinc/38/63/27/587386327.db2.gz BUUDVXFDYAGXKC-JKSUJKDBSA-N 1 1 339.436 0.156 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000817846142 587389219 /nfs/dbraw/zinc/38/92/19/587389219.db2.gz NTPYDKBIAPFZBD-KRWDZBQOSA-N 1 1 325.412 0.979 20 30 ECEDMO CON=C(C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1csc(N)n1 ZINC000820233789 587518167 /nfs/dbraw/zinc/51/81/67/587518167.db2.gz VGKGSFKRSOVTSI-MWLCHTKSSA-N 1 1 325.438 0.874 20 30 ECEDMO CON=C(C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1csc(N)n1 ZINC000820233790 587518703 /nfs/dbraw/zinc/51/87/03/587518703.db2.gz VGKGSFKRSOVTSI-ONGXEEELSA-N 1 1 325.438 0.874 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCc2ncc(C)cc2C)CC1 ZINC000828103193 588159026 /nfs/dbraw/zinc/15/90/26/588159026.db2.gz CUFPPUFFHXJFIO-UHFFFAOYSA-N 1 1 336.461 0.326 20 30 ECEDMO C#CC1CC[NH+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000830311403 588368293 /nfs/dbraw/zinc/36/82/93/588368293.db2.gz MSHOYWSOBNCTBV-UHFFFAOYSA-N 1 1 335.429 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000831833225 588453226 /nfs/dbraw/zinc/45/32/26/588453226.db2.gz WRTQCOXQPRSAMC-KBPBESRZSA-N 1 1 330.388 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000831833225 588453227 /nfs/dbraw/zinc/45/32/27/588453227.db2.gz WRTQCOXQPRSAMC-KBPBESRZSA-N 1 1 330.388 0.945 20 30 ECEDMO O=C(N[C@H]1CCCN(O)C1=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000848137018 589280136 /nfs/dbraw/zinc/28/01/36/589280136.db2.gz WOPZQEZIKQDUFM-WMLDXEAASA-N 1 1 333.388 0.120 20 30 ECEDMO C#CCCN1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849518839 589339223 /nfs/dbraw/zinc/33/92/23/589339223.db2.gz PEFWZAPTIXUFCM-ROUUACIJSA-N 1 1 343.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CC1(n2cnnn2)CCOCC1 ZINC000850826623 589385735 /nfs/dbraw/zinc/38/57/35/589385735.db2.gz OFXKCVBYPPKEJJ-CQSZACIVSA-N 1 1 333.392 0.210 20 30 ECEDMO C#C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C1CCOCC1 ZINC000852638856 589504213 /nfs/dbraw/zinc/50/42/13/589504213.db2.gz HCKYLEYZWUJSJX-GDBMZVCRSA-N 1 1 337.464 0.901 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1 ZINC000852759418 589511024 /nfs/dbraw/zinc/51/10/24/589511024.db2.gz OBZILVXYABFXEV-KDURUIRLSA-N 1 1 331.460 0.656 20 30 ECEDMO CNC(=O)CNC(=S)N[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853306359 589540413 /nfs/dbraw/zinc/54/04/13/589540413.db2.gz VJNXIEFMPDGMCP-UHFFFAOYSA-N 1 1 349.460 0.192 20 30 ECEDMO CCN(C(=O)NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@@H+](CC)C1 ZINC000853713050 589556155 /nfs/dbraw/zinc/55/61/55/589556155.db2.gz NDXPUBIUFWEQCU-ZGTROFRASA-N 1 1 349.435 0.639 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000856327770 589660180 /nfs/dbraw/zinc/66/01/80/589660180.db2.gz DSBQMROPMWPVIL-GOSISDBHSA-N 1 1 329.444 0.959 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000856327770 589660182 /nfs/dbraw/zinc/66/01/82/589660182.db2.gz DSBQMROPMWPVIL-GOSISDBHSA-N 1 1 329.444 0.959 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC1 ZINC000859003668 589791959 /nfs/dbraw/zinc/79/19/59/589791959.db2.gz TWZAIRWXRNNWLP-CYBMUJFWSA-N 1 1 325.409 0.040 20 30 ECEDMO CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000859321950 589821772 /nfs/dbraw/zinc/82/17/72/589821772.db2.gz YRFODAMSDZRPQG-KGLIPLIRSA-N 1 1 325.409 0.830 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc(CC#N)cc3)CC[C@H]21 ZINC000867798193 589843961 /nfs/dbraw/zinc/84/39/61/589843961.db2.gz BTTFHABEFSFYEV-DLBZAZTESA-N 1 1 340.427 0.921 20 30 ECEDMO COCCN1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1=O ZINC000867978021 589866275 /nfs/dbraw/zinc/86/62/75/589866275.db2.gz SQPKCOXQPJGUOZ-QGZVFWFLSA-N 1 1 342.399 0.062 20 30 ECEDMO CCCCCCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000861655650 589871390 /nfs/dbraw/zinc/87/13/90/589871390.db2.gz XVEGFTZXEOITNX-UHFFFAOYSA-N 1 1 346.497 0.586 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000862649007 589954365 /nfs/dbraw/zinc/95/43/65/589954365.db2.gz NYWAATSZOSMEBU-GJZGRUSLSA-N 1 1 330.388 0.048 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)cc1 ZINC000870096241 590000208 /nfs/dbraw/zinc/00/02/08/590000208.db2.gz MOYZDXTVTPJXIP-SFHVURJKSA-N 1 1 339.443 0.597 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000863584529 590025516 /nfs/dbraw/zinc/02/55/16/590025516.db2.gz GCKJZBPNUIFPNX-INIZCTEOSA-N 1 1 341.411 0.735 20 30 ECEDMO COc1ccc2c(c1OC)C(=NNCCC[NH+]1CCOCC1)C(=O)N2 ZINC000872371439 590115683 /nfs/dbraw/zinc/11/56/83/590115683.db2.gz KRFNZUVMULBOEY-UHFFFAOYSA-N 1 1 348.403 0.672 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(-n2nccn2)c1 ZINC000873895754 590209529 /nfs/dbraw/zinc/20/95/29/590209529.db2.gz CKKNHMJPCJEFMO-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cc3c([nH]c2=O)CCC[C@H]3O)CC1 ZINC000874264536 590229233 /nfs/dbraw/zinc/22/92/33/590229233.db2.gz XBGGXRZBRXQGSR-MRXNPFEDSA-N 1 1 329.400 0.938 20 30 ECEDMO C=C(Br)CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000875159651 590276782 /nfs/dbraw/zinc/27/67/82/590276782.db2.gz ANGWXBOABNMYRI-JTQLQIEISA-N 1 1 333.230 0.534 20 30 ECEDMO C=CC(C)(C)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000875182797 590279119 /nfs/dbraw/zinc/27/91/19/590279119.db2.gz YWHYVCWTZDAVCD-CQSZACIVSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879974168 590357544 /nfs/dbraw/zinc/35/75/44/590357544.db2.gz IRILKRDHWAMZFX-XUWVNRHRSA-N 1 1 337.464 0.809 20 30 ECEDMO C#CCOCCC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000125803118 590367326 /nfs/dbraw/zinc/36/73/26/590367326.db2.gz JOAZQGSPDMAURM-UHFFFAOYSA-N 1 1 343.427 0.487 20 30 ECEDMO CN(CCC[NH+](C)C)CCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876960528 590429581 /nfs/dbraw/zinc/42/95/81/590429581.db2.gz FJGMLAHKENBQFO-SFHVURJKSA-N 1 1 343.475 0.745 20 30 ECEDMO N#Cc1ccc([C@H](O)Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)cc1 ZINC000881407606 590452850 /nfs/dbraw/zinc/45/28/50/590452850.db2.gz QYTZWMMCZQFWPZ-IAGOWNOFSA-N 1 1 327.388 0.840 20 30 ECEDMO N#Cc1ccc([C@H](O)Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)cc1 ZINC000881407606 590452852 /nfs/dbraw/zinc/45/28/52/590452852.db2.gz QYTZWMMCZQFWPZ-IAGOWNOFSA-N 1 1 327.388 0.840 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785094 590541830 /nfs/dbraw/zinc/54/18/30/590541830.db2.gz LPCACHZTPBWSKU-HIFRSBDPSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785094 590541832 /nfs/dbraw/zinc/54/18/32/590541832.db2.gz LPCACHZTPBWSKU-HIFRSBDPSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000879243844 590573530 /nfs/dbraw/zinc/57/35/30/590573530.db2.gz MHZQAMIPFCLRAK-UYAOXDASSA-N 1 1 341.455 0.962 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879271914 590575845 /nfs/dbraw/zinc/57/58/45/590575845.db2.gz ZUMUCRHOWNIILM-JKSUJKDBSA-N 1 1 328.416 0.630 20 30 ECEDMO C[NH+]1CCN(CCCCNC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000132461604 590643880 /nfs/dbraw/zinc/64/38/80/590643880.db2.gz ZXMDZUFTPWIMRC-UHFFFAOYSA-N 1 1 343.427 0.911 20 30 ECEDMO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N(C)C[C@@H](C)C#N)c1 ZINC000883655652 590645653 /nfs/dbraw/zinc/64/56/53/590645653.db2.gz JAEUKSLOTKZJKF-BBRMVZONSA-N 1 1 344.415 0.786 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC000885308475 590712532 /nfs/dbraw/zinc/71/25/32/590712532.db2.gz YDYQKXVKKFIGEW-LZWOXQAQSA-N 1 1 339.461 0.505 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nnc3n2CCCCC3)C1 ZINC000884043544 590714967 /nfs/dbraw/zinc/71/49/67/590714967.db2.gz XXWPXYHPKCMMEY-CQSZACIVSA-N 1 1 330.436 0.901 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nnc3n2CCCCC3)C1 ZINC000884043544 590714970 /nfs/dbraw/zinc/71/49/70/590714970.db2.gz XXWPXYHPKCMMEY-CQSZACIVSA-N 1 1 330.436 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)N2CCOCC2)C1 ZINC000884046770 590716809 /nfs/dbraw/zinc/71/68/09/590716809.db2.gz RNHAISADTGFNEK-SJORKVTESA-N 1 1 336.480 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)N2CCOCC2)C1 ZINC000884046770 590716815 /nfs/dbraw/zinc/71/68/15/590716815.db2.gz RNHAISADTGFNEK-SJORKVTESA-N 1 1 336.480 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(-n3cncn3)nc2)C1 ZINC000884073511 590732888 /nfs/dbraw/zinc/73/28/88/590732888.db2.gz MIWVYQZAHAKRQQ-OAHLLOKOSA-N 1 1 339.403 0.559 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(-n3cncn3)nc2)C1 ZINC000884073511 590732889 /nfs/dbraw/zinc/73/28/89/590732889.db2.gz MIWVYQZAHAKRQQ-OAHLLOKOSA-N 1 1 339.403 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000884079914 590734805 /nfs/dbraw/zinc/73/48/05/590734805.db2.gz DWWXOAVRZLWAMG-OAHLLOKOSA-N 1 1 326.404 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000884079914 590734808 /nfs/dbraw/zinc/73/48/08/590734808.db2.gz DWWXOAVRZLWAMG-OAHLLOKOSA-N 1 1 326.404 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCN2C(=O)Cc3ccccc32)C1 ZINC000884113095 590743083 /nfs/dbraw/zinc/74/30/83/590743083.db2.gz GAVOUFAVYFPNTL-INIZCTEOSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCN2C(=O)Cc3ccccc32)C1 ZINC000884113095 590743087 /nfs/dbraw/zinc/74/30/87/590743087.db2.gz GAVOUFAVYFPNTL-INIZCTEOSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000884163237 590759167 /nfs/dbraw/zinc/75/91/67/590759167.db2.gz ASEANNLIDCOLEQ-NWDGAFQWSA-N 1 1 346.353 0.546 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000884163237 590759170 /nfs/dbraw/zinc/75/91/70/590759170.db2.gz ASEANNLIDCOLEQ-NWDGAFQWSA-N 1 1 346.353 0.546 20 30 ECEDMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885952077 590784000 /nfs/dbraw/zinc/78/40/00/590784000.db2.gz WFGRCQRCCIBREO-KBPBESRZSA-N 1 1 329.466 0.835 20 30 ECEDMO C[C@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000886203789 590812124 /nfs/dbraw/zinc/81/21/24/590812124.db2.gz HTELHKNDELNROP-JTTNIQEDSA-N 1 1 339.461 0.644 20 30 ECEDMO C[C@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000886203789 590812126 /nfs/dbraw/zinc/81/21/26/590812126.db2.gz HTELHKNDELNROP-JTTNIQEDSA-N 1 1 339.461 0.644 20 30 ECEDMO O=C(c1cccc(C#CCO)c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889743571 591075772 /nfs/dbraw/zinc/07/57/72/591075772.db2.gz HDTQUBXOAGVLJV-ZWKOTPCHSA-N 1 1 328.412 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)NC)C1 ZINC000890361350 591150421 /nfs/dbraw/zinc/15/04/21/591150421.db2.gz OSJYSWHIZRNXMP-LSDHHAIUSA-N 1 1 335.452 0.577 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)NC)C1 ZINC000890361350 591150423 /nfs/dbraw/zinc/15/04/23/591150423.db2.gz OSJYSWHIZRNXMP-LSDHHAIUSA-N 1 1 335.452 0.577 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000890370564 591152865 /nfs/dbraw/zinc/15/28/65/591152865.db2.gz BMAMVJJZNCQTSF-IAGOWNOFSA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000890370564 591152867 /nfs/dbraw/zinc/15/28/67/591152867.db2.gz BMAMVJJZNCQTSF-IAGOWNOFSA-N 1 1 334.464 0.590 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000890371052 591154612 /nfs/dbraw/zinc/15/46/12/591154612.db2.gz LIPFZSRMHFXJDZ-INIZCTEOSA-N 1 1 336.480 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000890370992 591155034 /nfs/dbraw/zinc/15/50/34/591155034.db2.gz KAEQUJVNSRAWFW-ZWKOTPCHSA-N 1 1 348.491 0.980 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000890370992 591155036 /nfs/dbraw/zinc/15/50/36/591155036.db2.gz KAEQUJVNSRAWFW-ZWKOTPCHSA-N 1 1 348.491 0.980 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)CC[C@@H]2C1 ZINC000946610523 611363385 /nfs/dbraw/zinc/36/33/85/611363385.db2.gz YBJMMORHEKZPEO-BBWFWOEESA-N 1 1 347.459 0.285 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)CC[C@@H]2C1 ZINC000946638491 611381563 /nfs/dbraw/zinc/38/15/63/611381563.db2.gz MYZVMPKYSATWIB-GASCZTMLSA-N 1 1 338.415 0.850 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C ZINC000947998896 611375928 /nfs/dbraw/zinc/37/59/28/611375928.db2.gz QNZSVXCLZQVFNO-STQMWFEESA-N 1 1 336.436 0.862 20 30 ECEDMO C#CCN(C(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21)C1CC[NH+](C)CC1 ZINC000930220387 611401850 /nfs/dbraw/zinc/40/18/50/611401850.db2.gz FIPVMOQULWJOES-OAHLLOKOSA-N 1 1 343.431 0.459 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC[C@@H]2C1 ZINC000946667934 611403698 /nfs/dbraw/zinc/40/36/98/611403698.db2.gz KQRFTLFUAIOKGG-XHSDSOJGSA-N 1 1 332.448 0.581 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1C ZINC000948069236 611407687 /nfs/dbraw/zinc/40/76/87/611407687.db2.gz DQFKLDOOUHNZFH-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C[C@H](O)CC#N)CC2)C1 ZINC000930497503 611436065 /nfs/dbraw/zinc/43/60/65/611436065.db2.gz YZXSKAOBXAXZAM-HUUCEWRRSA-N 1 1 338.452 0.888 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000930820393 611468949 /nfs/dbraw/zinc/46/89/49/611468949.db2.gz OATIMRXJEJKJGH-ZIAGYGMSSA-N 1 1 336.436 0.100 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1=O ZINC000159968775 611467970 /nfs/dbraw/zinc/46/79/70/611467970.db2.gz DWEAKNQMGJBNGT-KGLIPLIRSA-N 1 1 334.420 0.479 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1=O ZINC000159968775 611467973 /nfs/dbraw/zinc/46/79/73/611467973.db2.gz DWEAKNQMGJBNGT-KGLIPLIRSA-N 1 1 334.420 0.479 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC[C@@H]2C1 ZINC000946782011 611474939 /nfs/dbraw/zinc/47/49/39/611474939.db2.gz MNKLXBQREBLEQY-TWMKSMIVSA-N 1 1 331.460 0.904 20 30 ECEDMO C#CC1(O)CC[NH+]([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC1 ZINC000931146557 611510989 /nfs/dbraw/zinc/51/09/89/611510989.db2.gz GEPIYCNQEWXLKC-CYBMUJFWSA-N 1 1 329.400 0.833 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C[C@@H]1C ZINC000947394462 611513409 /nfs/dbraw/zinc/51/34/09/611513409.db2.gz CLQQTDJOGSFVSU-STQMWFEESA-N 1 1 329.828 0.567 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C[C@@H]1C ZINC000947394462 611513411 /nfs/dbraw/zinc/51/34/11/611513411.db2.gz CLQQTDJOGSFVSU-STQMWFEESA-N 1 1 329.828 0.567 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000948316202 611517709 /nfs/dbraw/zinc/51/77/09/611517709.db2.gz LGGSRJJCUVBFOG-HUUCEWRRSA-N 1 1 329.404 0.701 20 30 ECEDMO Cn1[nH]c(=O)c2c1C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000931194056 611517427 /nfs/dbraw/zinc/51/74/27/611517427.db2.gz YEVHSSSODYZLOU-CQSZACIVSA-N 1 1 342.399 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ncc(C(=O)OCC)n2C)C1 ZINC000931346936 611532372 /nfs/dbraw/zinc/53/23/72/611532372.db2.gz UHANIPKBMNXWJR-LBPRGKRZSA-N 1 1 333.392 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ncc(C(=O)OCC)n2C)C1 ZINC000931346936 611532374 /nfs/dbraw/zinc/53/23/74/611532374.db2.gz UHANIPKBMNXWJR-LBPRGKRZSA-N 1 1 333.392 0.816 20 30 ECEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000931406901 611538115 /nfs/dbraw/zinc/53/81/15/611538115.db2.gz SGCFLVBBECVSMD-GARNVTTQSA-N 1 1 336.480 0.914 20 30 ECEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931406901 611538118 /nfs/dbraw/zinc/53/81/18/611538118.db2.gz SGCFLVBBECVSMD-GARNVTTQSA-N 1 1 336.480 0.914 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2cn(CCOC)nn2)CC1 ZINC000948358097 611545664 /nfs/dbraw/zinc/54/56/64/611545664.db2.gz VLEZVVRTGYBLMO-HNNXBMFYSA-N 1 1 333.436 0.874 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C ZINC000947458724 611546080 /nfs/dbraw/zinc/54/60/80/611546080.db2.gz IDAYGJTVBHMUEY-DGCLKSJQSA-N 1 1 339.417 0.533 20 30 ECEDMO COC1(OC)CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1O ZINC000931641713 611560343 /nfs/dbraw/zinc/56/03/43/611560343.db2.gz HMTAMHDBQZXROM-CQSZACIVSA-N 1 1 339.436 0.727 20 30 ECEDMO COC1(OC)CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1O ZINC000931641713 611560347 /nfs/dbraw/zinc/56/03/47/611560347.db2.gz HMTAMHDBQZXROM-CQSZACIVSA-N 1 1 339.436 0.727 20 30 ECEDMO COC1(OC)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1O ZINC000931645385 611561233 /nfs/dbraw/zinc/56/12/33/611561233.db2.gz KSBNFEDWJJXTGL-GOEBONIOSA-N 1 1 336.388 0.354 20 30 ECEDMO C[C@@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[NH+]1CCN(CCC#N)CC1 ZINC000926805886 611569269 /nfs/dbraw/zinc/56/92/69/611569269.db2.gz AMNVJVOMIGLJRA-LBPRGKRZSA-N 1 1 327.388 0.809 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000948425400 611588021 /nfs/dbraw/zinc/58/80/21/611588021.db2.gz QTRDXPUJIDYALL-HNNXBMFYSA-N 1 1 348.447 0.436 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000932037809 611594043 /nfs/dbraw/zinc/59/40/43/611594043.db2.gz FHEJMMLMYIWTHS-MRXNPFEDSA-N 1 1 334.464 0.143 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@H]1C ZINC000947593741 611610717 /nfs/dbraw/zinc/61/07/17/611610717.db2.gz QLQWTKGEXYHDDP-HUUCEWRRSA-N 1 1 341.415 0.488 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@@H]1C ZINC000947592795 611610812 /nfs/dbraw/zinc/61/08/12/611610812.db2.gz FHVCCGVHVNFAIR-KBPBESRZSA-N 1 1 329.404 0.651 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000947625541 611623963 /nfs/dbraw/zinc/62/39/63/611623963.db2.gz CDICPHUZKQAUHO-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)(C)C ZINC000932464931 611630406 /nfs/dbraw/zinc/63/04/06/611630406.db2.gz QGEOUNHAAWHEBF-UHFFFAOYSA-N 1 1 331.420 0.558 20 30 ECEDMO COc1ncc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1C#N ZINC000932509130 611635744 /nfs/dbraw/zinc/63/57/44/611635744.db2.gz XNSXGJRAGJODBZ-KBPBESRZSA-N 1 1 331.376 0.947 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)C[C@@H]1C ZINC000947663030 611640790 /nfs/dbraw/zinc/64/07/90/611640790.db2.gz OLFJSRPBYKTYRT-QWHCGFSZSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)C1 ZINC000924036495 608601019 /nfs/dbraw/zinc/60/10/19/608601019.db2.gz HVZDRHUDASDMKE-KCYZZUKISA-N 1 1 348.447 0.209 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)C1 ZINC000924036495 608601022 /nfs/dbraw/zinc/60/10/22/608601022.db2.gz HVZDRHUDASDMKE-KCYZZUKISA-N 1 1 348.447 0.209 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]3C(=O)OC)CC2)C1 ZINC000949317466 608631403 /nfs/dbraw/zinc/63/14/03/608631403.db2.gz NQNCWGLCIGJDMM-CABCVRRESA-N 1 1 334.416 0.512 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]3C(=O)OC)CC2)C1 ZINC000949317466 608631405 /nfs/dbraw/zinc/63/14/05/608631405.db2.gz NQNCWGLCIGJDMM-CABCVRRESA-N 1 1 334.416 0.512 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C ZINC000947463621 608762587 /nfs/dbraw/zinc/76/25/87/608762587.db2.gz KDHRGLFKGRJGSM-JKSUJKDBSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)[C@H](C)C2)nn1 ZINC000947796124 608778076 /nfs/dbraw/zinc/77/80/76/608778076.db2.gz JVWHXJDIELXSJL-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000947229918 608798049 /nfs/dbraw/zinc/79/80/49/608798049.db2.gz JFNSFMZMDSJKSI-HYVNUMGLSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000947229918 608798051 /nfs/dbraw/zinc/79/80/51/608798051.db2.gz JFNSFMZMDSJKSI-HYVNUMGLSA-N 1 1 347.459 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C ZINC000947498744 608821661 /nfs/dbraw/zinc/82/16/61/608821661.db2.gz YNBWUOHMMIIVRR-NEPJUHHUSA-N 1 1 339.417 0.533 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C ZINC000948616602 611670223 /nfs/dbraw/zinc/67/02/23/611670223.db2.gz HIWOPPXKTXVJIZ-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C ZINC000948616602 611670224 /nfs/dbraw/zinc/67/02/24/611670224.db2.gz HIWOPPXKTXVJIZ-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](CCC(=O)OCC)C2)CC1 ZINC000162241654 608926599 /nfs/dbraw/zinc/92/65/99/608926599.db2.gz XEQKVDGUZYHWAG-QGZVFWFLSA-N 1 1 349.475 0.819 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947218164 608969720 /nfs/dbraw/zinc/96/97/20/608969720.db2.gz XLKIIYDITVDDPX-AAEUAGOBSA-N 1 1 329.404 0.748 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC000932799304 611669082 /nfs/dbraw/zinc/66/90/82/611669082.db2.gz FSIBGUAWTXQXGS-UHFFFAOYSA-N 1 1 341.209 0.943 20 30 ECEDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC#CCO ZINC000923769315 609013625 /nfs/dbraw/zinc/01/36/25/609013625.db2.gz UGWZEYYQWYHWBZ-QZTJIDSGSA-N 1 1 345.443 0.818 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937178056 609023492 /nfs/dbraw/zinc/02/34/92/609023492.db2.gz ZQBQFPYZMWDECX-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C[C@@H]1C ZINC000947760897 611679907 /nfs/dbraw/zinc/67/99/07/611679907.db2.gz BVAYMUOYYSIFBE-UONOGXRCSA-N 1 1 344.419 0.436 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2c[nH]nc2C)CC1 ZINC000947670719 609095705 /nfs/dbraw/zinc/09/57/05/609095705.db2.gz RQFSDBGCWRXHOL-INIZCTEOSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2c[nH]nc2C)CC1 ZINC000947670719 609095709 /nfs/dbraw/zinc/09/57/09/609095709.db2.gz RQFSDBGCWRXHOL-INIZCTEOSA-N 1 1 343.431 0.537 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937850253 609113937 /nfs/dbraw/zinc/11/39/37/609113937.db2.gz AWAPNWPHJXXHHZ-AAEUAGOBSA-N 1 1 340.387 0.819 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000928458730 611691289 /nfs/dbraw/zinc/69/12/89/611691289.db2.gz XWCNQWVVKUUIPF-IUODEOHRSA-N 1 1 337.445 0.973 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)[C@@H](C)C2)nn1 ZINC000947792832 611692939 /nfs/dbraw/zinc/69/29/39/611692939.db2.gz SROJMTHKBSBUDK-ZFWWWQNUSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]cc2C)C1 ZINC000938171003 609482965 /nfs/dbraw/zinc/48/29/65/609482965.db2.gz SDFZBAUZQVQJFS-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]cc2C)C1 ZINC000938171003 609482963 /nfs/dbraw/zinc/48/29/63/609482963.db2.gz SDFZBAUZQVQJFS-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000908013371 609636912 /nfs/dbraw/zinc/63/69/12/609636912.db2.gz BHLLHPMDEKHRRW-RBSFLKMASA-N 1 1 344.481 0.244 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000908350890 609651549 /nfs/dbraw/zinc/65/15/49/609651549.db2.gz KOWGQSLSRCPJMT-UHFFFAOYSA-N 1 1 342.447 0.095 20 30 ECEDMO C=CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000908662722 609657516 /nfs/dbraw/zinc/65/75/16/609657516.db2.gz VDFGYLPWCXHLNC-SUMWQHHRSA-N 1 1 332.452 0.990 20 30 ECEDMO C=CCn1c(-c2cccnn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000908701811 609658579 /nfs/dbraw/zinc/65/85/79/609658579.db2.gz HJEMUJTZSKIPOJ-ZDUSSCGKSA-N 1 1 327.392 0.442 20 30 ECEDMO C=CCn1c(-c2cccnn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000908701811 609658581 /nfs/dbraw/zinc/65/85/81/609658581.db2.gz HJEMUJTZSKIPOJ-ZDUSSCGKSA-N 1 1 327.392 0.442 20 30 ECEDMO Cc1cccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1C#N ZINC000919999585 609669929 /nfs/dbraw/zinc/66/99/29/609669929.db2.gz KLMKOIMWLNJNNP-DZGCQCFKSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1C#N ZINC000919999585 609669931 /nfs/dbraw/zinc/66/99/31/609669931.db2.gz KLMKOIMWLNJNNP-DZGCQCFKSA-N 1 1 336.461 0.779 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C ZINC000947853979 609697984 /nfs/dbraw/zinc/69/79/84/609697984.db2.gz YNEZNGPIMFHJRY-DGCLKSJQSA-N 1 1 332.404 0.731 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921321512 609702680 /nfs/dbraw/zinc/70/26/80/609702680.db2.gz GKXFNAXDIFYEHY-AGIUHOORSA-N 1 1 332.495 0.635 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921321512 609702681 /nfs/dbraw/zinc/70/26/81/609702681.db2.gz GKXFNAXDIFYEHY-AGIUHOORSA-N 1 1 332.495 0.635 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000921439953 609717074 /nfs/dbraw/zinc/71/70/74/609717074.db2.gz OGKKQKZOINDTCU-UHFFFAOYSA-N 1 1 336.413 0.834 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000938317946 609731685 /nfs/dbraw/zinc/73/16/85/609731685.db2.gz ZIRWWVHCVPJVBP-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000938322569 609736134 /nfs/dbraw/zinc/73/61/34/609736134.db2.gz UMGRHDZEKFIYGE-HOTGVXAUSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000938322573 609736213 /nfs/dbraw/zinc/73/62/13/609736213.db2.gz UONMEJKEUDOLTF-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC000948775393 609744707 /nfs/dbraw/zinc/74/47/07/609744707.db2.gz HNOKSTNTGJDYDD-HRCADAONSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C ZINC000947999176 609753036 /nfs/dbraw/zinc/75/30/36/609753036.db2.gz VWVOBYQXWBRSPR-STQMWFEESA-N 1 1 334.420 0.309 20 30 ECEDMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000910731566 609753592 /nfs/dbraw/zinc/75/35/92/609753592.db2.gz MQKLVFKACVEVCM-JKSUJKDBSA-N 1 1 344.415 0.260 20 30 ECEDMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000910731566 609753594 /nfs/dbraw/zinc/75/35/94/609753594.db2.gz MQKLVFKACVEVCM-JKSUJKDBSA-N 1 1 344.415 0.260 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000938412288 609775662 /nfs/dbraw/zinc/77/56/62/609775662.db2.gz OYSNKYBJAAJFFJ-JONQDZQNSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 ZINC000923595095 609778673 /nfs/dbraw/zinc/77/86/73/609778673.db2.gz PCICKAXYAQRPCN-KKUMJFAQSA-N 1 1 331.416 0.375 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 ZINC000923595095 609778675 /nfs/dbraw/zinc/77/86/75/609778675.db2.gz PCICKAXYAQRPCN-KKUMJFAQSA-N 1 1 331.416 0.375 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000938532944 609851777 /nfs/dbraw/zinc/85/17/77/609851777.db2.gz RFSGPKWXQXZYAL-UONOGXRCSA-N 1 1 346.435 0.089 20 30 ECEDMO CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC000914315812 609876510 /nfs/dbraw/zinc/87/65/10/609876510.db2.gz AFNQPFFHSTXGRS-NFAWXSAZSA-N 1 1 340.449 0.050 20 30 ECEDMO CC[N@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC000914315812 609876511 /nfs/dbraw/zinc/87/65/11/609876511.db2.gz AFNQPFFHSTXGRS-NFAWXSAZSA-N 1 1 340.449 0.050 20 30 ECEDMO C[NH+]1CCN(N=C2c3ccc(N4CCOCC4)cc3NC2=O)CC1 ZINC000915933562 609927785 /nfs/dbraw/zinc/92/77/85/609927785.db2.gz BNUWYFMKWPEODO-UHFFFAOYSA-N 1 1 329.404 0.427 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cs1 ZINC000916014667 609929656 /nfs/dbraw/zinc/92/96/56/609929656.db2.gz HQPFMWVNHXAOEK-CYBMUJFWSA-N 1 1 343.474 0.886 20 30 ECEDMO C#CCN(C(=O)N[C@@H](C)CN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000917228338 609965093 /nfs/dbraw/zinc/96/50/93/609965093.db2.gz SSJGPPYSKSPRGY-INIZCTEOSA-N 1 1 335.496 0.361 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cocn2)C1 ZINC000938756407 609981879 /nfs/dbraw/zinc/98/18/79/609981879.db2.gz OWDSGDKPORXBSX-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cocn2)C1 ZINC000938756407 609981882 /nfs/dbraw/zinc/98/18/82/609981882.db2.gz OWDSGDKPORXBSX-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC000938756380 609982149 /nfs/dbraw/zinc/98/21/49/609982149.db2.gz OJEKHQCTAPVFBQ-SJORKVTESA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC000938756380 609982151 /nfs/dbraw/zinc/98/21/51/609982151.db2.gz OJEKHQCTAPVFBQ-SJORKVTESA-N 1 1 342.443 0.714 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938878559 610008311 /nfs/dbraw/zinc/00/83/11/610008311.db2.gz NHXGXVKZYVAJBA-HNNXBMFYSA-N 1 1 340.387 0.764 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000938968194 610058632 /nfs/dbraw/zinc/05/86/32/610058632.db2.gz BTLCWWJMUGSINQ-NVXWUHKLSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cccnc2)C1 ZINC000939135170 610091137 /nfs/dbraw/zinc/09/11/37/610091137.db2.gz KVVSAPLCIPBXTH-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cccnc2)C1 ZINC000939135170 610091139 /nfs/dbraw/zinc/09/11/39/610091139.db2.gz KVVSAPLCIPBXTH-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cn(C)nc2C)C1 ZINC000939767933 610121782 /nfs/dbraw/zinc/12/17/82/610121782.db2.gz MUTOBZSWSCJUTR-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cn(C)nc2C)C1 ZINC000939767933 610121783 /nfs/dbraw/zinc/12/17/83/610121783.db2.gz MUTOBZSWSCJUTR-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnc(C)cn2)C1 ZINC000939232311 610123451 /nfs/dbraw/zinc/12/34/51/610123451.db2.gz OZZQCXHNSWPEFI-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnc(C)cn2)C1 ZINC000939232311 610123453 /nfs/dbraw/zinc/12/34/53/610123453.db2.gz OZZQCXHNSWPEFI-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnon3)C2)nn1 ZINC000939292150 610148947 /nfs/dbraw/zinc/14/89/47/610148947.db2.gz JGXNIBMCCKZSRO-DGCLKSJQSA-N 1 1 331.380 0.488 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000939872214 610157653 /nfs/dbraw/zinc/15/76/53/610157653.db2.gz BHMAKZJKMXBWGX-GDBMZVCRSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000939872214 610157656 /nfs/dbraw/zinc/15/76/56/610157656.db2.gz BHMAKZJKMXBWGX-GDBMZVCRSA-N 1 1 346.431 0.335 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940050239 610196064 /nfs/dbraw/zinc/19/60/64/610196064.db2.gz QCGYXNSPYDZHCC-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(F)cn2)C1 ZINC000940113670 610211957 /nfs/dbraw/zinc/21/19/57/610211957.db2.gz IVBVGMYSCXCYKV-ZBFHGGJFSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(F)cn2)C1 ZINC000940113670 610211958 /nfs/dbraw/zinc/21/19/58/610211958.db2.gz IVBVGMYSCXCYKV-ZBFHGGJFSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccccc2O)C1 ZINC000939496069 610216494 /nfs/dbraw/zinc/21/64/94/610216494.db2.gz GXULQIWKLPKOMM-ZBFHGGJFSA-N 1 1 341.411 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccccc2O)C1 ZINC000939496069 610216496 /nfs/dbraw/zinc/21/64/96/610216496.db2.gz GXULQIWKLPKOMM-ZBFHGGJFSA-N 1 1 341.411 0.821 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000939544399 610232909 /nfs/dbraw/zinc/23/29/09/610232909.db2.gz LJPRLYWTNGTEFY-LSDHHAIUSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000939544399 610232911 /nfs/dbraw/zinc/23/29/11/610232911.db2.gz LJPRLYWTNGTEFY-LSDHHAIUSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000940528742 610294414 /nfs/dbraw/zinc/29/44/14/610294414.db2.gz QSOGIGURZFGQPQ-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc(OCC)nc3)CC2)C1 ZINC000941427928 610301711 /nfs/dbraw/zinc/30/17/11/610301711.db2.gz KHNUSAOKIOGALL-UHFFFAOYSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc(OC(C)C)cn3)CC2)C1 ZINC000941411249 610302370 /nfs/dbraw/zinc/30/23/70/610302370.db2.gz WSVXGLLHEMNRQM-UHFFFAOYSA-N 1 1 345.447 0.892 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cn(C4CCC4)nn3)CC2)C1 ZINC000941412456 610302652 /nfs/dbraw/zinc/30/26/52/610302652.db2.gz FRUCYQZZGFFPFU-UHFFFAOYSA-N 1 1 330.436 0.631 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3nc(CC)c[nH]3)CC2)C1 ZINC000941443114 610308645 /nfs/dbraw/zinc/30/86/45/610308645.db2.gz KNNXQWDORBBUKV-UHFFFAOYSA-N 1 1 329.448 0.366 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC2CCC2)[C@H](OC)C1 ZINC000941439762 610315964 /nfs/dbraw/zinc/31/59/64/610315964.db2.gz DZCNZVSDTKOHDW-IXDOHACOSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC2CCC2)[C@H](OC)C1 ZINC000941439762 610315965 /nfs/dbraw/zinc/31/59/65/610315965.db2.gz DZCNZVSDTKOHDW-IXDOHACOSA-N 1 1 347.459 0.616 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)C1 ZINC000941463765 610321890 /nfs/dbraw/zinc/32/18/90/610321890.db2.gz AGRABFGCXSXVCQ-INIZCTEOSA-N 1 1 343.475 0.850 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C3CCC(C(N)=O)CC3)CC2)C1 ZINC000941467460 610328306 /nfs/dbraw/zinc/32/83/06/610328306.db2.gz AHJGVAUINMDGHO-UHFFFAOYSA-N 1 1 334.464 0.293 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941470389 610329373 /nfs/dbraw/zinc/32/93/73/610329373.db2.gz DIUHUGXQYOUCHZ-GOSISDBHSA-N 1 1 332.492 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2(CF)CC2)CC1 ZINC000941464917 610333857 /nfs/dbraw/zinc/33/38/57/610333857.db2.gz CMFDGTLVHVSYPH-HNNXBMFYSA-N 1 1 335.423 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2(CF)CC2)CC1 ZINC000941464917 610333858 /nfs/dbraw/zinc/33/38/58/610333858.db2.gz CMFDGTLVHVSYPH-HNNXBMFYSA-N 1 1 335.423 0.895 20 30 ECEDMO C=CCC[NH+]1CC(N2CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC000941479535 610334791 /nfs/dbraw/zinc/33/47/91/610334791.db2.gz IBHHJHFGEHHURN-UHFFFAOYSA-N 1 1 330.432 0.403 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940685696 610335244 /nfs/dbraw/zinc/33/52/44/610335244.db2.gz GLBVZLQVYDJOHN-GJZGRUSLSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(=O)c(OC)co3)CC2)C1 ZINC000941487614 610338815 /nfs/dbraw/zinc/33/88/15/610338815.db2.gz OTFKONTWCCSQKE-UHFFFAOYSA-N 1 1 345.399 0.114 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4nncn4CC3)CC2)C1 ZINC000941491182 610340346 /nfs/dbraw/zinc/34/03/46/610340346.db2.gz LEPDXRIQJQMOJC-OAHLLOKOSA-N 1 1 344.463 0.245 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N[C@H](CC)C3)CC2)C1 ZINC000941499631 610344131 /nfs/dbraw/zinc/34/41/31/610344131.db2.gz XTYZDGCQKZTNIE-JKSUJKDBSA-N 1 1 346.475 0.143 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cc3cc(CC)nn3C)CC2)C1 ZINC000941499441 610344168 /nfs/dbraw/zinc/34/41/68/610344168.db2.gz SZRKMMYLAWCDKS-UHFFFAOYSA-N 1 1 345.491 0.930 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn4cccnc34)CC2)C1 ZINC000941512768 610352498 /nfs/dbraw/zinc/35/24/98/610352498.db2.gz YWBBWWPNXMFIKX-UHFFFAOYSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CCN1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940754385 610357406 /nfs/dbraw/zinc/35/74/06/610357406.db2.gz XKNZQHXQIVGTDY-MRXNPFEDSA-N 1 1 331.464 0.908 20 30 ECEDMO C=CCN1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000941532510 610364097 /nfs/dbraw/zinc/36/40/97/610364097.db2.gz ZOZKKFZWQLOIST-KRWDZBQOSA-N 1 1 336.480 0.110 20 30 ECEDMO C=CCN1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000941532510 610364099 /nfs/dbraw/zinc/36/40/99/610364099.db2.gz ZOZKKFZWQLOIST-KRWDZBQOSA-N 1 1 336.480 0.110 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC000941567287 610376762 /nfs/dbraw/zinc/37/67/62/610376762.db2.gz QDQBTDBDFIRCDU-CVEARBPZSA-N 1 1 334.464 0.115 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN(C3C[NH+](CCn4cncn4)C3)CC2)C1 ZINC000941560028 610382275 /nfs/dbraw/zinc/38/22/75/610382275.db2.gz TVNLNUQEPLBFPU-UHFFFAOYSA-N 1 1 344.463 0.463 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)CC2)C1 ZINC000941563715 610384303 /nfs/dbraw/zinc/38/43/03/610384303.db2.gz KRFZYMQSAMDABK-HNNXBMFYSA-N 1 1 329.448 0.844 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C3CN(CC#N)C3)CC1)C2 ZINC000941566733 610386198 /nfs/dbraw/zinc/38/61/98/610386198.db2.gz LSJDHZLUJCSFID-OAHLLOKOSA-N 1 1 342.447 0.106 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000941599520 610399905 /nfs/dbraw/zinc/39/99/05/610399905.db2.gz ZZIRLYFVNSHNNZ-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCN(C3C[NH+](CC(=C)C)C3)CC2)nn1 ZINC000941601505 610401993 /nfs/dbraw/zinc/40/19/93/610401993.db2.gz RCDRCQDNZNKQAI-UHFFFAOYSA-N 1 1 344.463 0.872 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000940867735 610403292 /nfs/dbraw/zinc/40/32/92/610403292.db2.gz JVFSPMDXLJDRPJ-ZDUSSCGKSA-N 1 1 332.404 0.189 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc4nncn4c3)CC2)C1 ZINC000941605380 610404278 /nfs/dbraw/zinc/40/42/78/610404278.db2.gz FEWAIBMLDQYKHJ-UHFFFAOYSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000940874953 610422068 /nfs/dbraw/zinc/42/20/68/610422068.db2.gz ONWMZMPARCPJST-HNNXBMFYSA-N 1 1 348.447 0.906 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ocnc2CC)C1 ZINC000942366002 610424020 /nfs/dbraw/zinc/42/40/20/610424020.db2.gz IAQPLDSRIALZNO-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ocnc2CC)C1 ZINC000942366002 610424021 /nfs/dbraw/zinc/42/40/21/610424021.db2.gz IAQPLDSRIALZNO-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](C)C1 ZINC000942395124 610429556 /nfs/dbraw/zinc/42/95/56/610429556.db2.gz WDIVJJFYURLBAJ-HUUCEWRRSA-N 1 1 346.431 0.353 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cccnc3OCC)CC2)C1 ZINC000941654621 610429768 /nfs/dbraw/zinc/42/97/68/610429768.db2.gz KBDHFRDVPKCSQS-UHFFFAOYSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC000941660333 610433739 /nfs/dbraw/zinc/43/37/39/610433739.db2.gz JJTQPLNRGLOGGU-UHFFFAOYSA-N 1 1 346.475 0.241 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C3C[NH+](CCOC)C3)CC2)nc1 ZINC000941642015 610435652 /nfs/dbraw/zinc/43/56/52/610435652.db2.gz JWSUIAXQEVDBCT-UHFFFAOYSA-N 1 1 328.416 0.151 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC000941650541 610440526 /nfs/dbraw/zinc/44/05/26/610440526.db2.gz DBKDKHVCBLWCSX-UHFFFAOYSA-N 1 1 326.404 0.128 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)N3CCCCC3=O)CC2)C1 ZINC000941676909 610449291 /nfs/dbraw/zinc/44/92/91/610449291.db2.gz HQXWHRMCJXTAMT-MRXNPFEDSA-N 1 1 348.491 0.792 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000942431098 610455940 /nfs/dbraw/zinc/45/59/40/610455940.db2.gz FCYGOYHQCAXEGV-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC000941664706 610456188 /nfs/dbraw/zinc/45/61/88/610456188.db2.gz BPDFVQXFXDRFLR-UHFFFAOYSA-N 1 1 330.432 0.253 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc1 ZINC000942432347 610457339 /nfs/dbraw/zinc/45/73/39/610457339.db2.gz QTRRSEKUOOKIHA-GOEBONIOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC000942432690 610457879 /nfs/dbraw/zinc/45/78/79/610457879.db2.gz OSIMJKQCTYLDLX-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000942433811 610459149 /nfs/dbraw/zinc/45/91/49/610459149.db2.gz FKPHFVZPOQZPRE-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN3C(=O)C(C)C)CC2)C1 ZINC000941668898 610459428 /nfs/dbraw/zinc/45/94/28/610459428.db2.gz RPSGAVHHXVELPW-QGZVFWFLSA-N 1 1 348.491 0.648 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H](C)C1 ZINC000942523409 610499219 /nfs/dbraw/zinc/49/92/19/610499219.db2.gz PWULRIWKYYPDDD-TZMCWYRMSA-N 1 1 326.404 0.827 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H](C)C1 ZINC000942527293 610499587 /nfs/dbraw/zinc/49/95/87/610499587.db2.gz KDVCTGWGSSVJNU-TZMCWYRMSA-N 1 1 341.415 0.795 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H](C)C1 ZINC000942527292 610499697 /nfs/dbraw/zinc/49/96/97/610499697.db2.gz KDVCTGWGSSVJNU-OCCSQVGLSA-N 1 1 341.415 0.795 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](C)C1 ZINC000942542438 610506029 /nfs/dbraw/zinc/50/60/29/610506029.db2.gz FJQQRZYBWMTKAJ-KGLIPLIRSA-N 1 1 329.404 0.509 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccco2)[C@H](OC)C1 ZINC000941044602 610509029 /nfs/dbraw/zinc/50/90/29/610509029.db2.gz DJTOTQANYJUNQA-IJEWVQPXSA-N 1 1 345.399 0.333 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccco2)[C@H](OC)C1 ZINC000941044602 610509031 /nfs/dbraw/zinc/50/90/31/610509031.db2.gz DJTOTQANYJUNQA-IJEWVQPXSA-N 1 1 345.399 0.333 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562381 610519045 /nfs/dbraw/zinc/51/90/45/610519045.db2.gz KQPZNHATXMXEKG-WFASDCNBSA-N 1 1 339.403 0.722 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941090286 610531313 /nfs/dbraw/zinc/53/13/13/610531313.db2.gz BZABTPFIHBXOCC-ZIAGYGMSSA-N 1 1 343.493 0.813 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3nnc[nH]3)C(C)(C)C2)C1=O ZINC000941110982 610542820 /nfs/dbraw/zinc/54/28/20/610542820.db2.gz NJHXWTOZFXAGKY-CHWSQXEVSA-N 1 1 346.435 0.422 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941928083 610567007 /nfs/dbraw/zinc/56/70/07/610567007.db2.gz AYSQZTGXBAGAFW-BXUZGUMPSA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929202 610567015 /nfs/dbraw/zinc/56/70/15/610567015.db2.gz JINJSFPFLPTUOO-BXUZGUMPSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929202 610567017 /nfs/dbraw/zinc/56/70/17/610567017.db2.gz JINJSFPFLPTUOO-BXUZGUMPSA-N 1 1 327.392 0.655 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)cn1 ZINC000941168742 610582836 /nfs/dbraw/zinc/58/28/36/610582836.db2.gz GAVKWDQXNKTOLL-HZPDHXFCSA-N 1 1 340.427 0.782 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000941190530 610585366 /nfs/dbraw/zinc/58/53/66/610585366.db2.gz DIVKZFXZJYRGGZ-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941209908 610597151 /nfs/dbraw/zinc/59/71/51/610597151.db2.gz AZOWTBNTZOIHRA-CYBMUJFWSA-N 1 1 332.404 0.340 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000941241747 610614612 /nfs/dbraw/zinc/61/46/12/610614612.db2.gz JKAJGBGJACPTFY-ZACQAIPSSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC000941245788 610616569 /nfs/dbraw/zinc/61/65/69/610616569.db2.gz VCLXNUUSFHPXJI-CVEARBPZSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC000941245788 610616571 /nfs/dbraw/zinc/61/65/71/610616571.db2.gz VCLXNUUSFHPXJI-CVEARBPZSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948416771 610685280 /nfs/dbraw/zinc/68/52/80/610685280.db2.gz OYMNJHOPKQGJEZ-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000942190069 610690089 /nfs/dbraw/zinc/69/00/89/610690089.db2.gz YVMZXHCQBQSLTJ-WCQYABFASA-N 1 1 339.417 0.391 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000942199741 610693483 /nfs/dbraw/zinc/69/34/83/610693483.db2.gz GTXNJMOWFCPQAD-CVEARBPZSA-N 1 1 336.480 0.553 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000942199742 610693764 /nfs/dbraw/zinc/69/37/64/610693764.db2.gz GTXNJMOWFCPQAD-HOTGVXAUSA-N 1 1 336.480 0.553 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@H](C)C1 ZINC000942220977 610701615 /nfs/dbraw/zinc/70/16/15/610701615.db2.gz ZPMPHQSIQJSFKP-ZBFHGGJFSA-N 1 1 331.416 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC000942225846 610707045 /nfs/dbraw/zinc/70/70/45/610707045.db2.gz PDKWSTAMAYRJNX-YPMHNXCESA-N 1 1 348.428 0.277 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC000942225846 610707047 /nfs/dbraw/zinc/70/70/47/610707047.db2.gz PDKWSTAMAYRJNX-YPMHNXCESA-N 1 1 348.428 0.277 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@H](OC)C2)C1 ZINC000941378415 610708334 /nfs/dbraw/zinc/70/83/34/610708334.db2.gz XVZIOFXNOBLFLC-RBSFLKMASA-N 1 1 335.448 0.779 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@H](C)C1 ZINC000944134162 610751274 /nfs/dbraw/zinc/75/12/74/610751274.db2.gz AZBOAZNBJOCFCH-TZMCWYRMSA-N 1 1 327.388 0.898 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 ZINC000944136022 610752555 /nfs/dbraw/zinc/75/25/55/610752555.db2.gz QLKXKWOFZHYAJQ-JQWIXIFHSA-N 1 1 342.827 0.460 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 ZINC000944136022 610752557 /nfs/dbraw/zinc/75/25/57/610752557.db2.gz QLKXKWOFZHYAJQ-JQWIXIFHSA-N 1 1 342.827 0.460 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000944147499 610757406 /nfs/dbraw/zinc/75/74/06/610757406.db2.gz AQSUMMFWNDCKNU-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](C)C1 ZINC000944155376 610770116 /nfs/dbraw/zinc/77/01/16/610770116.db2.gz ONHUCZOJNFAAGE-RYUDHWBXSA-N 1 1 330.392 0.434 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@@H](C)C1 ZINC000944810580 610795046 /nfs/dbraw/zinc/79/50/46/610795046.db2.gz JEOAUSYBXIUUTB-ONGXEEELSA-N 1 1 337.811 0.768 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@@H](C)C1 ZINC000944810580 610795048 /nfs/dbraw/zinc/79/50/48/610795048.db2.gz JEOAUSYBXIUUTB-ONGXEEELSA-N 1 1 337.811 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC)CC2 ZINC000944846054 610806485 /nfs/dbraw/zinc/80/64/85/610806485.db2.gz UZZHFLVNROMBLB-HNNXBMFYSA-N 1 1 349.500 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC)CC2 ZINC000944846054 610806487 /nfs/dbraw/zinc/80/64/87/610806487.db2.gz UZZHFLVNROMBLB-HNNXBMFYSA-N 1 1 349.500 0.898 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H](C)C#N)C3)CC2)C1 ZINC000944951285 610854277 /nfs/dbraw/zinc/85/42/77/610854277.db2.gz KRGBDJAYSHSJDU-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H](C)C#N)C3)CC2)C1 ZINC000944951285 610854280 /nfs/dbraw/zinc/85/42/80/610854280.db2.gz KRGBDJAYSHSJDU-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@@H]2C)nn1 ZINC000943480934 610868452 /nfs/dbraw/zinc/86/84/52/610868452.db2.gz HCCCZJOKDBATRY-JSGCOSHPSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@@H]2C)nn1 ZINC000943480934 610868454 /nfs/dbraw/zinc/86/84/54/610868454.db2.gz HCCCZJOKDBATRY-JSGCOSHPSA-N 1 1 346.435 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC000943610398 610911492 /nfs/dbraw/zinc/91/14/92/610911492.db2.gz IDCAAROLIWQYPY-QAETUUGQSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC000943610398 610911494 /nfs/dbraw/zinc/91/14/94/610911494.db2.gz IDCAAROLIWQYPY-QAETUUGQSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(=O)NC)n2)[C@H](C)C1 ZINC000944534952 610953902 /nfs/dbraw/zinc/95/39/02/610953902.db2.gz VGJOKCJQHDFBPE-KGLIPLIRSA-N 1 1 328.416 0.905 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 ZINC000944535802 610954143 /nfs/dbraw/zinc/95/41/43/610954143.db2.gz ZONDKCZJZXWIQG-UKRRQHHQSA-N 1 1 335.452 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2cnon2)CC1 ZINC000943729034 610960040 /nfs/dbraw/zinc/96/00/40/610960040.db2.gz TYWUVERUYAVSGD-YDHLFZDLSA-N 1 1 345.403 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2cnon2)CC1 ZINC000943729034 610960042 /nfs/dbraw/zinc/96/00/42/610960042.db2.gz TYWUVERUYAVSGD-YDHLFZDLSA-N 1 1 345.403 0.324 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1n[nH]cc1F ZINC000944100056 611131858 /nfs/dbraw/zinc/13/18/58/611131858.db2.gz MIBJFTCZFIFSKR-OCCSQVGLSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1n[nH]cc1F ZINC000944100056 611131859 /nfs/dbraw/zinc/13/18/59/611131859.db2.gz MIBJFTCZFIFSKR-OCCSQVGLSA-N 1 1 347.394 0.367 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC000946818727 611171837 /nfs/dbraw/zinc/17/18/37/611171837.db2.gz NXAUHEYIAHAHDC-IVSAIRAKSA-N 1 1 335.448 0.623 20 30 ECEDMO C#CCN(C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000923270650 611222843 /nfs/dbraw/zinc/22/28/43/611222843.db2.gz WHNCIOXNTMMJFO-KBPBESRZSA-N 1 1 341.477 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2cncc(C(=O)NC)c2)C1 ZINC000923574039 611267256 /nfs/dbraw/zinc/26/72/56/611267256.db2.gz CSEXZXPLXCESJK-FYCOFBDGSA-N 1 1 326.400 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000923580438 611268626 /nfs/dbraw/zinc/26/86/26/611268626.db2.gz CMHXVXMHHAISTP-DOTOQJQBSA-N 1 1 340.427 0.644 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000923580438 611268629 /nfs/dbraw/zinc/26/86/29/611268629.db2.gz CMHXVXMHHAISTP-DOTOQJQBSA-N 1 1 340.427 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000923589240 611270297 /nfs/dbraw/zinc/27/02/97/611270297.db2.gz OUAGQUDNASMSDH-NEPJUHHUSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000923589240 611270299 /nfs/dbraw/zinc/27/02/99/611270299.db2.gz OUAGQUDNASMSDH-NEPJUHHUSA-N 1 1 331.338 0.611 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000946512856 611294051 /nfs/dbraw/zinc/29/40/51/611294051.db2.gz ZUTDBRKBBVCUDP-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCn1cc(CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)cn1 ZINC000834612670 611294786 /nfs/dbraw/zinc/29/47/86/611294786.db2.gz UNQGYVTWMZMVPH-UHFFFAOYSA-N 1 1 337.387 0.982 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000834795965 611301703 /nfs/dbraw/zinc/30/17/03/611301703.db2.gz HVUADTRQYVZWHT-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1 ZINC000946542470 611313783 /nfs/dbraw/zinc/31/37/83/611313783.db2.gz QDRYUZRRVOUVBN-YUELXQCFSA-N 1 1 343.431 0.805 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921911921 611326292 /nfs/dbraw/zinc/32/62/92/611326292.db2.gz UKKWWMZAXSPYGP-HIFRSBDPSA-N 1 1 344.481 0.556 20 30 ECEDMO COCCOCCOCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000929326900 611746112 /nfs/dbraw/zinc/74/61/12/611746112.db2.gz ASGOZVOAMVJIDZ-UHFFFAOYSA-N 1 1 334.420 0.755 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(CNC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000948956169 611768916 /nfs/dbraw/zinc/76/89/16/611768916.db2.gz OJNLJDKMBPJKPN-CQSZACIVSA-N 1 1 343.431 0.806 20 30 ECEDMO Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000929750463 611790194 /nfs/dbraw/zinc/79/01/94/611790194.db2.gz XPBQAFIJLGCYLW-HNNXBMFYSA-N 1 1 326.400 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000950648124 611815923 /nfs/dbraw/zinc/81/59/23/611815923.db2.gz AWGPHIPFCCNXBX-WCVJEAGWSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000950648124 611815926 /nfs/dbraw/zinc/81/59/26/611815926.db2.gz AWGPHIPFCCNXBX-WCVJEAGWSA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCOC2(CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC000949052084 611829340 /nfs/dbraw/zinc/82/93/40/611829340.db2.gz WPLDCLBNQNLQJM-CYBMUJFWSA-N 1 1 334.420 0.118 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)[C@@H]2CCCO2)CC1 ZINC000949105077 611855880 /nfs/dbraw/zinc/85/58/80/611855880.db2.gz IAYQWSBFOIXDQH-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)[C@@H]2CCCO2)CC1 ZINC000949105077 611855882 /nfs/dbraw/zinc/85/58/82/611855882.db2.gz IAYQWSBFOIXDQH-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCCC[N@@H+]2C)nn1 ZINC000950057495 611856010 /nfs/dbraw/zinc/85/60/10/611856010.db2.gz WLFUFZDUIVMIBC-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)no1 ZINC000949129514 611865115 /nfs/dbraw/zinc/86/51/15/611865115.db2.gz MBNSGOBMCRQGSM-UHFFFAOYSA-N 1 1 347.419 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC2(O)CCC2)C1 ZINC000950744405 611880030 /nfs/dbraw/zinc/88/00/30/611880030.db2.gz UMEKGLLLDQZKDX-CVEARBPZSA-N 1 1 347.459 0.496 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC2(O)CCC2)C1 ZINC000950744405 611880032 /nfs/dbraw/zinc/88/00/32/611880032.db2.gz UMEKGLLLDQZKDX-CVEARBPZSA-N 1 1 347.459 0.496 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cnns2)C1 ZINC000950141482 611881985 /nfs/dbraw/zinc/88/19/85/611881985.db2.gz YWMAZBQJVLKBBG-OLZOCXBDSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cnns2)C1 ZINC000950141482 611881987 /nfs/dbraw/zinc/88/19/87/611881987.db2.gz YWMAZBQJVLKBBG-OLZOCXBDSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(C)nc1 ZINC000950753995 611889295 /nfs/dbraw/zinc/88/92/95/611889295.db2.gz PXAKPUBFYGXUFY-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(C)nc1 ZINC000950753995 611889296 /nfs/dbraw/zinc/88/92/96/611889296.db2.gz PXAKPUBFYGXUFY-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cncc(F)c1 ZINC000950755623 611891160 /nfs/dbraw/zinc/89/11/60/611891160.db2.gz QCYDKYBIPXUOBT-CVEARBPZSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cncc(F)c1 ZINC000950755623 611891163 /nfs/dbraw/zinc/89/11/63/611891163.db2.gz QCYDKYBIPXUOBT-CVEARBPZSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1=COCCC1 ZINC000950755682 611891184 /nfs/dbraw/zinc/89/11/84/611891184.db2.gz RILOZMFZCVOKHM-HOTGVXAUSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1=COCCC1 ZINC000950755682 611891187 /nfs/dbraw/zinc/89/11/87/611891187.db2.gz RILOZMFZCVOKHM-HOTGVXAUSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ncccc1C ZINC000950755867 611891781 /nfs/dbraw/zinc/89/17/81/611891781.db2.gz WMRYOEACADMMLO-CVEARBPZSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ncccc1C ZINC000950755867 611891783 /nfs/dbraw/zinc/89/17/83/611891783.db2.gz WMRYOEACADMMLO-CVEARBPZSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccncc1F ZINC000949210268 611900814 /nfs/dbraw/zinc/90/08/14/611900814.db2.gz BAGRZNDTWQXXIP-BBRMVZONSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccncc1F ZINC000949210268 611900816 /nfs/dbraw/zinc/90/08/16/611900816.db2.gz BAGRZNDTWQXXIP-BBRMVZONSA-N 1 1 344.390 0.649 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000950229856 611914292 /nfs/dbraw/zinc/91/42/92/611914292.db2.gz FJWNMZXKFONTQS-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298029 611931183 /nfs/dbraw/zinc/93/11/83/611931183.db2.gz HTZMPMLCXYQTMA-FZMZJTMJSA-N 1 1 340.387 0.819 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CCn1cncn1)CCO2 ZINC000949320872 611938222 /nfs/dbraw/zinc/93/82/22/611938222.db2.gz VVWAHAUARQHXTA-AWEZNQCLSA-N 1 1 332.408 0.131 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CCn1cncn1)CCO2 ZINC000949320872 611938223 /nfs/dbraw/zinc/93/82/23/611938223.db2.gz VVWAHAUARQHXTA-AWEZNQCLSA-N 1 1 332.408 0.131 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)CN3CCCNC3=O)CC2)C1 ZINC000949406199 611967570 /nfs/dbraw/zinc/96/75/70/611967570.db2.gz WDLGAWAWNAACGW-UHFFFAOYSA-N 1 1 336.436 0.281 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)CN3CCCNC3=O)CC2)C1 ZINC000949406199 611967571 /nfs/dbraw/zinc/96/75/71/611967571.db2.gz WDLGAWAWNAACGW-UHFFFAOYSA-N 1 1 336.436 0.281 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950319717 611969468 /nfs/dbraw/zinc/96/94/68/611969468.db2.gz KYODKYLCPKLMLF-KGLIPLIRSA-N 1 1 329.404 0.559 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949449442 611984834 /nfs/dbraw/zinc/98/48/34/611984834.db2.gz NXZZINCMCKNNPC-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cn3ccc(C)n3)CC2)C1 ZINC000949474824 611993540 /nfs/dbraw/zinc/99/35/40/611993540.db2.gz OTWRBCVPWUOMNX-UHFFFAOYSA-N 1 1 330.432 0.908 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)Cn3ccc(C)n3)CC2)C1 ZINC000949474824 611993542 /nfs/dbraw/zinc/99/35/42/611993542.db2.gz OTWRBCVPWUOMNX-UHFFFAOYSA-N 1 1 330.432 0.908 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000950386470 611994383 /nfs/dbraw/zinc/99/43/83/611994383.db2.gz VDJGHRDQXPEFEA-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949480734 611996179 /nfs/dbraw/zinc/99/61/79/611996179.db2.gz XVGWRELPZCENGK-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949480734 611996182 /nfs/dbraw/zinc/99/61/82/611996182.db2.gz XVGWRELPZCENGK-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534323 612023990 /nfs/dbraw/zinc/02/39/90/612023990.db2.gz WRAIMWFWZPZARV-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534323 612023992 /nfs/dbraw/zinc/02/39/92/612023992.db2.gz WRAIMWFWZPZARV-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000950517736 612049780 /nfs/dbraw/zinc/04/97/80/612049780.db2.gz SMDQTWYELAHZTJ-AWEZNQCLSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H](C)c2nncn2C)C1 ZINC000950534439 612058000 /nfs/dbraw/zinc/05/80/00/612058000.db2.gz UZQPBRZSTMUPLB-ZBFHGGJFSA-N 1 1 344.463 0.506 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H](C)c2nncn2C)C1 ZINC000950534439 612058001 /nfs/dbraw/zinc/05/80/01/612058001.db2.gz UZQPBRZSTMUPLB-ZBFHGGJFSA-N 1 1 344.463 0.506 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000951837796 612087337 /nfs/dbraw/zinc/08/73/37/612087337.db2.gz NHFWGSABDIRBCD-DOMZBBRYSA-N 1 1 338.371 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000951223603 612088327 /nfs/dbraw/zinc/08/83/27/612088327.db2.gz LPKOZDZJINIJMO-IRXDYDNUSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000951223603 612088330 /nfs/dbraw/zinc/08/83/30/612088330.db2.gz LPKOZDZJINIJMO-IRXDYDNUSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC000951223982 612089112 /nfs/dbraw/zinc/08/91/12/612089112.db2.gz VDKRESQFGKMKKE-ZBFHGGJFSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC000951223982 612089114 /nfs/dbraw/zinc/08/91/14/612089114.db2.gz VDKRESQFGKMKKE-ZBFHGGJFSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ocnc1CC ZINC000952009167 612173547 /nfs/dbraw/zinc/17/35/47/612173547.db2.gz BHSFYVIULQMFAO-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ocnc1CC ZINC000952009167 612173550 /nfs/dbraw/zinc/17/35/50/612173550.db2.gz BHSFYVIULQMFAO-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000952219492 612296984 /nfs/dbraw/zinc/29/69/84/612296984.db2.gz LVOWHAAHGSVZDF-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC000955258860 612388561 /nfs/dbraw/zinc/38/85/61/612388561.db2.gz HDIARTYSUHJIKI-MRXNPFEDSA-N 1 1 326.400 0.440 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000955340210 612462414 /nfs/dbraw/zinc/46/24/14/612462414.db2.gz HJIWHTBDXINACO-IMJJTQAJSA-N 1 1 335.448 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000954631139 612469064 /nfs/dbraw/zinc/46/90/64/612469064.db2.gz PYNLNJLQWFITTR-VVLHAWIVSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000954631139 612469069 /nfs/dbraw/zinc/46/90/69/612469069.db2.gz PYNLNJLQWFITTR-VVLHAWIVSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)n2cccn2)C1 ZINC000954630886 612469103 /nfs/dbraw/zinc/46/91/03/612469103.db2.gz NXJXTABTTWAGTR-ZBFHGGJFSA-N 1 1 343.431 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)n2cccn2)C1 ZINC000954630886 612469106 /nfs/dbraw/zinc/46/91/06/612469106.db2.gz NXJXTABTTWAGTR-ZBFHGGJFSA-N 1 1 343.431 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC2(F)F)C1 ZINC000954631169 612469130 /nfs/dbraw/zinc/46/91/30/612469130.db2.gz QZPTWERYSGCPDJ-OLZOCXBDSA-N 1 1 325.359 0.408 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC2(F)F)C1 ZINC000954631169 612469134 /nfs/dbraw/zinc/46/91/34/612469134.db2.gz QZPTWERYSGCPDJ-OLZOCXBDSA-N 1 1 325.359 0.408 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000953949809 612481390 /nfs/dbraw/zinc/48/13/90/612481390.db2.gz QKCKKKUKPSFHFJ-OIISXLGYSA-N 1 1 349.475 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC000955350852 612483812 /nfs/dbraw/zinc/48/38/12/612483812.db2.gz UFNPVQVHAFSREO-CXAGYDPISA-N 1 1 340.427 0.543 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)nc1 ZINC000955927693 612493846 /nfs/dbraw/zinc/49/38/46/612493846.db2.gz KQOMTWDFUAJAHV-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000956774687 612511776 /nfs/dbraw/zinc/51/17/76/612511776.db2.gz DXWLBIUKHXZWTQ-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000956776752 612517195 /nfs/dbraw/zinc/51/71/95/612517195.db2.gz OWAUXEJBVDCYSH-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1cc[nH]n1 ZINC000955941457 612517585 /nfs/dbraw/zinc/51/75/85/612517585.db2.gz YDIAJWDMIWVUEH-HOTGVXAUSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1cc[nH]n1 ZINC000955941457 612517589 /nfs/dbraw/zinc/51/75/89/612517589.db2.gz YDIAJWDMIWVUEH-HOTGVXAUSA-N 1 1 343.431 0.157 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000956777142 612518143 /nfs/dbraw/zinc/51/81/43/612518143.db2.gz UULIJJUWDHGYBR-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2cc(C)n[nH]2)C1 ZINC000954024642 612563039 /nfs/dbraw/zinc/56/30/39/612563039.db2.gz XQRFIMZEOPCPJO-INIZCTEOSA-N 1 1 343.431 0.027 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2cc(C)n[nH]2)C1 ZINC000954024642 612563044 /nfs/dbraw/zinc/56/30/44/612563044.db2.gz XQRFIMZEOPCPJO-INIZCTEOSA-N 1 1 343.431 0.027 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956802757 612566843 /nfs/dbraw/zinc/56/68/43/612566843.db2.gz SELASFXKPGYJHA-UGSOOPFHSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000956929487 612713001 /nfs/dbraw/zinc/71/30/01/612713001.db2.gz PVOTUXWHOIMQFC-GUYCJALGSA-N 1 1 346.435 0.137 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956110082 612715219 /nfs/dbraw/zinc/71/52/19/612715219.db2.gz QLNTZOUTJXAHES-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nccc(C)n2)C1 ZINC000954178130 612740618 /nfs/dbraw/zinc/74/06/18/612740618.db2.gz MPTNTFCHACYIBQ-HNNXBMFYSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nccc(C)n2)C1 ZINC000954178130 612740621 /nfs/dbraw/zinc/74/06/21/612740621.db2.gz MPTNTFCHACYIBQ-HNNXBMFYSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nc(C)oc2C)C1 ZINC000955106176 612905365 /nfs/dbraw/zinc/90/53/65/612905365.db2.gz CUGXOERZJPYJNM-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nc(C)oc2C)C1 ZINC000955106176 612905366 /nfs/dbraw/zinc/90/53/66/612905366.db2.gz CUGXOERZJPYJNM-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041779297 782187793 /nfs/dbraw/zinc/18/77/93/782187793.db2.gz OPPGOHMGETXSTP-GOSISDBHSA-N 1 1 344.415 0.670 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001041779297 782187802 /nfs/dbraw/zinc/18/78/02/782187802.db2.gz OPPGOHMGETXSTP-GOSISDBHSA-N 1 1 344.415 0.670 20 30 ECEDMO Cc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(C#N)n1 ZINC001164738868 720713093 /nfs/dbraw/zinc/71/30/93/720713093.db2.gz LEGIIRDWLDIATQ-UONOGXRCSA-N 1 1 337.387 0.789 20 30 ECEDMO N#Cc1ncc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1C#N ZINC001164738532 720772518 /nfs/dbraw/zinc/77/25/18/720772518.db2.gz FXVXRWSAIVGWDV-CHWSQXEVSA-N 1 1 348.370 0.352 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3cnc(C#N)c(C#N)n3)CC[C@@H]2C1 ZINC001164853783 720880119 /nfs/dbraw/zinc/88/01/19/720880119.db2.gz CTSSURGWARGHSP-CZUORRHYSA-N 1 1 342.403 0.393 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)Nc2cnc(C#N)cn2)C1 ZINC001098215593 735305580 /nfs/dbraw/zinc/30/55/80/735305580.db2.gz RBRNVHOBGOQXOI-JSGCOSHPSA-N 1 1 332.408 0.374 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC001041785604 782201467 /nfs/dbraw/zinc/20/14/67/782201467.db2.gz JGQCINVHUJRQFJ-KRWDZBQOSA-N 1 1 346.387 0.458 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)C(=O)Nc2cc(C)on2)CC1 ZINC001098561065 735460556 /nfs/dbraw/zinc/46/05/56/735460556.db2.gz PHRAGMQGGJCEGW-UHFFFAOYSA-N 1 1 348.403 0.230 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3coc(OC)n3)C2)C1=O ZINC000972015806 735506938 /nfs/dbraw/zinc/50/69/38/735506938.db2.gz GFBHCSZAWBJYKX-OCCSQVGLSA-N 1 1 348.403 0.616 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)CC1=O ZINC001038319412 738481577 /nfs/dbraw/zinc/48/15/77/738481577.db2.gz XUOLREFNVWLXJZ-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)CC1=O ZINC001038319412 738481578 /nfs/dbraw/zinc/48/15/78/738481578.db2.gz XUOLREFNVWLXJZ-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO C=CCOc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)cc1 ZINC000969119128 731486931 /nfs/dbraw/zinc/48/69/31/731486931.db2.gz AQUDTEUITAJIQH-CQSZACIVSA-N 1 1 342.403 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1ccc(C)nn1 ZINC001111582809 731488989 /nfs/dbraw/zinc/48/89/89/731488989.db2.gz PHIYWOKVXZNILZ-HNNXBMFYSA-N 1 1 331.420 0.115 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1ccc(C)nn1 ZINC001111582809 731488991 /nfs/dbraw/zinc/48/89/91/731488991.db2.gz PHIYWOKVXZNILZ-HNNXBMFYSA-N 1 1 331.420 0.115 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@H+]2CC(=O)NC)nc1 ZINC000969122184 731495347 /nfs/dbraw/zinc/49/53/47/731495347.db2.gz YXAGXVRTBKOEOG-OAHLLOKOSA-N 1 1 328.416 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@@H+]2CC(=O)NC)nc1 ZINC000969122184 731495350 /nfs/dbraw/zinc/49/53/50/731495350.db2.gz YXAGXVRTBKOEOG-OAHLLOKOSA-N 1 1 328.416 0.783 20 30 ECEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NS(C)(=O)=O ZINC001114941603 731507266 /nfs/dbraw/zinc/50/72/66/731507266.db2.gz DKJSGNGRMGICBS-ITGUQSILSA-N 1 1 329.466 0.327 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 ZINC001125278918 731550793 /nfs/dbraw/zinc/55/07/93/731550793.db2.gz GZKLZMCAXCUQEH-ZFWWWQNUSA-N 1 1 346.435 0.088 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ncc3ccccn32)[C@@H](n2ccnn2)C1 ZINC001069977934 790270312 /nfs/dbraw/zinc/27/03/12/790270312.db2.gz NLDBKIINPSBQQJ-CABCVRRESA-N 1 1 337.387 0.767 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ncc3ccccn32)[C@@H](n2ccnn2)C1 ZINC001069977934 790270315 /nfs/dbraw/zinc/27/03/15/790270315.db2.gz NLDBKIINPSBQQJ-CABCVRRESA-N 1 1 337.387 0.767 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001069977992 790270385 /nfs/dbraw/zinc/27/03/85/790270385.db2.gz QLSCVUKBBQDGFH-OAGGEKHMSA-N 1 1 345.447 0.848 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 ZINC001125280393 731577313 /nfs/dbraw/zinc/57/73/13/731577313.db2.gz RHSAHGDDXHMRIY-ZFWWWQNUSA-N 1 1 346.435 0.088 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N(CCO)CCNc1nccnc1C#N ZINC001111582900 731589159 /nfs/dbraw/zinc/58/91/59/731589159.db2.gz VYSCUTKFNSDNPQ-CQSZACIVSA-N 1 1 346.435 0.455 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cccnc3)C2)C1=O ZINC000969209050 731600167 /nfs/dbraw/zinc/60/01/67/731600167.db2.gz FCBRUUORHYFGNF-CZUORRHYSA-N 1 1 328.416 0.919 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cccn3C)C2)C1=O ZINC000969320288 731716699 /nfs/dbraw/zinc/71/66/99/731716699.db2.gz TXAMYVVNWCFTBU-BBRMVZONSA-N 1 1 330.432 0.862 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4cccn4)c3)[C@H]2C1 ZINC001083188054 731764344 /nfs/dbraw/zinc/76/43/44/731764344.db2.gz BCZHULQDOVUQHZ-JKSUJKDBSA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4cccn4)c3)[C@H]2C1 ZINC001083188054 731764345 /nfs/dbraw/zinc/76/43/45/731764345.db2.gz BCZHULQDOVUQHZ-JKSUJKDBSA-N 1 1 339.399 0.979 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc4c3ncn4C)[C@H]2C1 ZINC001083188349 731764775 /nfs/dbraw/zinc/76/47/75/731764775.db2.gz QKOBCICTRUPEST-LSDHHAIUSA-N 1 1 339.399 0.517 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC000969391646 731792604 /nfs/dbraw/zinc/79/26/04/731792604.db2.gz GCQWWKXRHBGEJP-KFWWJZLASA-N 1 1 334.420 0.070 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC000969392164 731793285 /nfs/dbraw/zinc/79/32/85/731793285.db2.gz NSNYSWZMWDATJB-CALCHBBNSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cncc(CC)c2)[C@@H](n2ccnn2)C1 ZINC001069980097 790274232 /nfs/dbraw/zinc/27/42/32/790274232.db2.gz BORFVWYGZRGIMH-SJORKVTESA-N 1 1 338.415 0.914 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cncc(CC)c2)[C@@H](n2ccnn2)C1 ZINC001069980097 790274237 /nfs/dbraw/zinc/27/42/37/790274237.db2.gz BORFVWYGZRGIMH-SJORKVTESA-N 1 1 338.415 0.914 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cn(C)cn3)C2)C1=O ZINC000969499759 731932438 /nfs/dbraw/zinc/93/24/38/731932438.db2.gz ARKWDYYTYBHCQP-WFASDCNBSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(OC)no3)C2)C1=O ZINC000969521251 731942314 /nfs/dbraw/zinc/94/23/14/731942314.db2.gz DKVFPUNAPDLPLW-DGCLKSJQSA-N 1 1 348.403 0.520 20 30 ECEDMO C[C@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969592746 731991372 /nfs/dbraw/zinc/99/13/72/731991372.db2.gz AHXPFLLYRVUKNP-XHDPSFHLSA-N 1 1 328.372 0.603 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969592753 731991524 /nfs/dbraw/zinc/99/15/24/731991524.db2.gz AMRRZIWRGMYSSV-NOZJJQNGSA-N 1 1 334.401 0.665 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3n[nH]cc3C)C2)C1=O ZINC000969649115 732022758 /nfs/dbraw/zinc/02/27/58/732022758.db2.gz MHBZUUFNJQBXTI-JSGCOSHPSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3nn(C)cc3C)C2)C1=O ZINC000969655908 732026713 /nfs/dbraw/zinc/02/67/13/732026713.db2.gz CAILINAMUXMUCH-ZFWWWQNUSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001208963961 732437641 /nfs/dbraw/zinc/43/76/41/732437641.db2.gz PMJIQKYVIYNIGG-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001208963961 732437642 /nfs/dbraw/zinc/43/76/42/732437642.db2.gz PMJIQKYVIYNIGG-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@]2(C)CCN(C(C)=O)C2)CC1 ZINC001098525970 732444627 /nfs/dbraw/zinc/44/46/27/732444627.db2.gz BFTHSHFNJFMBHT-GOSISDBHSA-N 1 1 335.448 0.163 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2snnc2C)C1 ZINC000969865443 732461520 /nfs/dbraw/zinc/46/15/20/732461520.db2.gz OFAMZIUYMJGUCW-WFASDCNBSA-N 1 1 347.488 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2snnc2C)C1 ZINC000969865443 732461523 /nfs/dbraw/zinc/46/15/23/732461523.db2.gz OFAMZIUYMJGUCW-WFASDCNBSA-N 1 1 347.488 0.881 20 30 ECEDMO C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC000969865041 732461819 /nfs/dbraw/zinc/46/18/19/732461819.db2.gz HZXLZUQZXAIBOH-XYPHTWIQSA-N 1 1 330.432 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nccc(C)n2)C1 ZINC000969867735 732462598 /nfs/dbraw/zinc/46/25/98/732462598.db2.gz FRXVDHGUZPGBJM-RDJZCZTQSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nccc(C)n2)C1 ZINC000969867735 732462600 /nfs/dbraw/zinc/46/26/00/732462600.db2.gz FRXVDHGUZPGBJM-RDJZCZTQSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nonc2C)C1 ZINC000969867361 732465966 /nfs/dbraw/zinc/46/59/66/732465966.db2.gz BRBLPFVTZNMNOV-WBMJQRKESA-N 1 1 331.420 0.412 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nonc2C)C1 ZINC000969867361 732465970 /nfs/dbraw/zinc/46/59/70/732465970.db2.gz BRBLPFVTZNMNOV-WBMJQRKESA-N 1 1 331.420 0.412 20 30 ECEDMO C=C(Cl)CN1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083193044 732474692 /nfs/dbraw/zinc/47/46/92/732474692.db2.gz ZCAQDMDEPZKJAD-VHDGCEQUSA-N 1 1 327.856 0.992 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1ccc[nH]1 ZINC001067554230 732542695 /nfs/dbraw/zinc/54/26/95/732542695.db2.gz FZJMDVFGJPAZGQ-KRWDZBQOSA-N 1 1 344.459 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1ccc[nH]1 ZINC001067554230 732542700 /nfs/dbraw/zinc/54/27/00/732542700.db2.gz FZJMDVFGJPAZGQ-KRWDZBQOSA-N 1 1 344.459 0.962 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000969991697 732598933 /nfs/dbraw/zinc/59/89/33/732598933.db2.gz GPMHRDCQPGKKHK-SNVBAGLBSA-N 1 1 325.390 0.000 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC000970016763 732627448 /nfs/dbraw/zinc/62/74/48/732627448.db2.gz GUHJQQXWSANOLZ-KFWWJZLASA-N 1 1 345.447 0.896 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2ccccc2OCC(N)=O)C1 ZINC000970089542 732751396 /nfs/dbraw/zinc/75/13/96/732751396.db2.gz FEZSOZPTKBCIAU-ZDUSSCGKSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CN3CCc4ccccc43)[C@H]2C1 ZINC001083278042 738645110 /nfs/dbraw/zinc/64/51/10/738645110.db2.gz FGTQLLHUGHAKMU-RBUKOAKNSA-N 1 1 339.439 0.984 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1 ZINC001098528411 732871558 /nfs/dbraw/zinc/87/15/58/732871558.db2.gz CFPOAHLCZGYLBH-OAHLLOKOSA-N 1 1 335.448 0.163 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)C(=O)N2CC[C@H](C)C2)CC1 ZINC001098528410 732876795 /nfs/dbraw/zinc/87/67/95/732876795.db2.gz CFPOAHLCZGYLBH-HNNXBMFYSA-N 1 1 335.448 0.163 20 30 ECEDMO Cc1nc(Nc2ccc(C#N)nc2)cc(N2CC[NH+](CCO)CC2)n1 ZINC001209545456 733009450 /nfs/dbraw/zinc/00/94/50/733009450.db2.gz BQLVIUIKNCJQLK-UHFFFAOYSA-N 1 1 339.403 0.910 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cn(C)nc2Cl)CC1 ZINC001098530584 733021901 /nfs/dbraw/zinc/02/19/01/733021901.db2.gz DIILZCLODREHSG-UHFFFAOYSA-N 1 1 338.839 0.996 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CNc2ccncc2C#N)C(C)(C)C)C1 ZINC001125828120 738669646 /nfs/dbraw/zinc/66/96/46/738669646.db2.gz MDQPUTXAHMRIEN-JKSUJKDBSA-N 1 1 345.447 0.649 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CNc2ccncc2C#N)C(C)(C)C)C1 ZINC001125828120 738669649 /nfs/dbraw/zinc/66/96/49/738669649.db2.gz MDQPUTXAHMRIEN-JKSUJKDBSA-N 1 1 345.447 0.649 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC001041839110 782316050 /nfs/dbraw/zinc/31/60/50/782316050.db2.gz IAWUDCXJJPDJNU-FUHWJXTLSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001078114542 782322900 /nfs/dbraw/zinc/32/29/00/782322900.db2.gz MPXANTZNCWACMU-HUUCEWRRSA-N 1 1 334.416 0.984 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC000970301335 733335422 /nfs/dbraw/zinc/33/54/22/733335422.db2.gz VGDIRTHVTZEPKL-RBRCJPGISA-N 1 1 333.432 0.102 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cncc(C#N)n1 ZINC001104253322 733367937 /nfs/dbraw/zinc/36/79/37/733367937.db2.gz KVNRKHHRJJYEQB-ZFWWWQNUSA-N 1 1 326.404 0.610 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cncc(C#N)n1 ZINC001104253322 733367942 /nfs/dbraw/zinc/36/79/42/733367942.db2.gz KVNRKHHRJJYEQB-ZFWWWQNUSA-N 1 1 326.404 0.610 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cnc(C#N)cn1 ZINC001104253688 733368621 /nfs/dbraw/zinc/36/86/21/733368621.db2.gz WDMDPYLZXGQOLE-ZFWWWQNUSA-N 1 1 326.404 0.610 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cnc(C#N)cn1 ZINC001104253688 733368627 /nfs/dbraw/zinc/36/86/27/733368627.db2.gz WDMDPYLZXGQOLE-ZFWWWQNUSA-N 1 1 326.404 0.610 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970354766 733404899 /nfs/dbraw/zinc/40/48/99/733404899.db2.gz SYWJAHJYQDEVIT-CJNGLKHVSA-N 1 1 326.400 0.156 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970359705 733412446 /nfs/dbraw/zinc/41/24/46/733412446.db2.gz VCSZUVLDJLPEIS-NHYWBVRUSA-N 1 1 327.388 0.176 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC000970400891 733471926 /nfs/dbraw/zinc/47/19/26/733471926.db2.gz HPKZGAPORNBQAU-OLZOCXBDSA-N 1 1 340.427 0.780 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC000970401664 733473117 /nfs/dbraw/zinc/47/31/17/733473117.db2.gz QQUHIZYUQDTABI-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970714801 733863930 /nfs/dbraw/zinc/86/39/30/733863930.db2.gz SZNODWKTCJUJJF-OCCSQVGLSA-N 1 1 344.415 0.585 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1=O ZINC001210811746 734030081 /nfs/dbraw/zinc/03/00/81/734030081.db2.gz QKENGLGHMLKVRU-HOTGVXAUSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccn(C)n3)C2)C1=O ZINC000970882096 734039576 /nfs/dbraw/zinc/03/95/76/734039576.db2.gz DPNRQESOZAXUDU-IUODEOHRSA-N 1 1 331.420 0.257 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000973114482 738783582 /nfs/dbraw/zinc/78/35/82/738783582.db2.gz BNBLFRWYZOGKRU-FPCVCCKLSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000973114482 738783585 /nfs/dbraw/zinc/78/35/85/738783585.db2.gz BNBLFRWYZOGKRU-FPCVCCKLSA-N 1 1 333.432 0.274 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC000971020556 734186552 /nfs/dbraw/zinc/18/65/52/734186552.db2.gz LVTARLHQIPKQBR-TZMCWYRMSA-N 1 1 345.403 0.115 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044472 734204904 /nfs/dbraw/zinc/20/49/04/734204904.db2.gz HCJJVMJNRBJWOV-HNNXBMFYSA-N 1 1 325.376 0.278 20 30 ECEDMO CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)C#N ZINC001087136181 734244734 /nfs/dbraw/zinc/24/47/34/734244734.db2.gz MRLCRHSRYGFYAI-RDBSUJKOSA-N 1 1 333.440 0.959 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)CCO1 ZINC001104316927 734258952 /nfs/dbraw/zinc/25/89/52/734258952.db2.gz LYEWFMHKPRYIDW-QAPCUYQASA-N 1 1 348.447 0.996 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(c3cncc(C#N)n3)CCO2)C1 ZINC001104322263 734300080 /nfs/dbraw/zinc/30/00/80/734300080.db2.gz ZDAWCHUEFNIJRC-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000971210372 734361849 /nfs/dbraw/zinc/36/18/49/734361849.db2.gz GZBHGQFSCAYSGE-NEPJUHHUSA-N 1 1 335.408 0.009 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)CCc2nnn(C(C)(C)C)n2)C1 ZINC000971211380 734362973 /nfs/dbraw/zinc/36/29/73/734362973.db2.gz QRQHJHCDGSBXCR-STQMWFEESA-N 1 1 333.440 0.663 20 30 ECEDMO CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000971364238 734476581 /nfs/dbraw/zinc/47/65/81/734476581.db2.gz SCZFGOQAWRXVAL-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000971380746 734491174 /nfs/dbraw/zinc/49/11/74/734491174.db2.gz UWSRYEYCKRMYNG-XJKSGUPXSA-N 1 1 348.472 0.983 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000971379885 734492451 /nfs/dbraw/zinc/49/24/51/734492451.db2.gz QGWFVKMSHVIONU-ROUUACIJSA-N 1 1 342.443 0.922 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2ncccc2C#N)CCO1 ZINC001104350435 734527520 /nfs/dbraw/zinc/52/75/20/734527520.db2.gz WUDWKXIXDWHVTA-HOCLYGCPSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)cc1 ZINC001083217061 734534877 /nfs/dbraw/zinc/53/48/77/734534877.db2.gz FUUSMHNLOOHHHW-ZWKOTPCHSA-N 1 1 344.411 0.606 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](CC)OC)C[C@@H]32)nn1 ZINC001083217964 734565170 /nfs/dbraw/zinc/56/51/70/734565170.db2.gz VZSYMHOIBXFGEV-VNQPRFMTSA-N 1 1 349.435 0.414 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1)C1CCC1 ZINC001104352946 734595910 /nfs/dbraw/zinc/59/59/10/734595910.db2.gz LTYPTGFEGJXJCN-HNNXBMFYSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]2O)C1 ZINC001078174345 782428851 /nfs/dbraw/zinc/42/88/51/782428851.db2.gz IVVGPAHOABJCPS-USXIJHARSA-N 1 1 346.406 0.310 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC000949534469 734680886 /nfs/dbraw/zinc/68/08/86/734680886.db2.gz YPCRCKDGKPBKSL-QGZVFWFLSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cnc(C)cn2)C1 ZINC000971703265 734964138 /nfs/dbraw/zinc/96/41/38/734964138.db2.gz BUYCDJZFXUBWHK-MSOLQXFVSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cnc(C)cn2)C1 ZINC000971703265 734964141 /nfs/dbraw/zinc/96/41/41/734964141.db2.gz BUYCDJZFXUBWHK-MSOLQXFVSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cc(C)n(C)n2)C1 ZINC000971703279 734964268 /nfs/dbraw/zinc/96/42/68/734964268.db2.gz CDOXYBGXLDUSLZ-MSOLQXFVSA-N 1 1 343.475 0.859 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cc(C)n(C)n2)C1 ZINC000971703279 734964271 /nfs/dbraw/zinc/96/42/71/734964271.db2.gz CDOXYBGXLDUSLZ-MSOLQXFVSA-N 1 1 343.475 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ncc(C)cn2)C1 ZINC000971703346 734964633 /nfs/dbraw/zinc/96/46/33/734964633.db2.gz FCVBUPIFOLSTSB-SJORKVTESA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ncc(C)cn2)C1 ZINC000971703346 734964637 /nfs/dbraw/zinc/96/46/37/734964637.db2.gz FCVBUPIFOLSTSB-SJORKVTESA-N 1 1 341.459 0.915 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973188742 738877168 /nfs/dbraw/zinc/87/71/68/738877168.db2.gz FRYQLGXWTHHSMX-GZCFXPHUSA-N 1 1 329.404 0.461 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078333 735618338 /nfs/dbraw/zinc/61/83/38/735618338.db2.gz FXKYGGUXKVCBDL-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078667 735618707 /nfs/dbraw/zinc/61/87/07/735618707.db2.gz IUAXOVKTCJTIJG-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3C#N)C2)NC1=O ZINC000972084805 735627526 /nfs/dbraw/zinc/62/75/26/735627526.db2.gz GGSZHSQEPXPWSC-HOTGVXAUSA-N 1 1 341.415 0.615 20 30 ECEDMO CN1C[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3C#N)C2)NC1=O ZINC000972084805 735627527 /nfs/dbraw/zinc/62/75/27/735627527.db2.gz GGSZHSQEPXPWSC-HOTGVXAUSA-N 1 1 341.415 0.615 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCc1ccc(F)cc1 ZINC001114948259 735645485 /nfs/dbraw/zinc/64/54/85/735645485.db2.gz AOSSZPUFDXLJIX-ZSHCYNCHSA-N 1 1 329.375 0.512 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2coc(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001069988361 790282463 /nfs/dbraw/zinc/28/24/63/790282463.db2.gz TYKDFDVSYLAERC-OLZOCXBDSA-N 1 1 344.375 0.201 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2coc(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001069988361 790282466 /nfs/dbraw/zinc/28/24/66/790282466.db2.gz TYKDFDVSYLAERC-OLZOCXBDSA-N 1 1 344.375 0.201 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3c(C)cnn3C)C2)C1=O ZINC000972123859 735673966 /nfs/dbraw/zinc/67/39/66/735673966.db2.gz FFYNABRBHQGOOA-CABCVRRESA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCCC[N@H+](CCO)C1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC001098564225 735680748 /nfs/dbraw/zinc/68/07/48/735680748.db2.gz SBBYQDBSBAGNIB-UHFFFAOYSA-N 1 1 348.447 0.979 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CNC(=O)[C@@H](C)CC)CC1 ZINC001098564321 735684728 /nfs/dbraw/zinc/68/47/28/735684728.db2.gz XBPAWNKEJFZKHR-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972221830 735806891 /nfs/dbraw/zinc/80/68/91/735806891.db2.gz CUHZOMUJVGWGLV-CQSZACIVSA-N 1 1 344.390 0.996 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCOCC2)C1 ZINC000972246691 735834819 /nfs/dbraw/zinc/83/48/19/735834819.db2.gz QNZBZTUPXZYKDQ-MAUKXSAKSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCOCC2)C1 ZINC000972246691 735834825 /nfs/dbraw/zinc/83/48/25/735834825.db2.gz QNZBZTUPXZYKDQ-MAUKXSAKSA-N 1 1 337.464 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCC(=O)NC3=O)C2)c1 ZINC000972284510 735888850 /nfs/dbraw/zinc/88/88/50/735888850.db2.gz LFZYWYMTXNSBCN-CABCVRRESA-N 1 1 340.383 0.014 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000972315979 735934262 /nfs/dbraw/zinc/93/42/62/735934262.db2.gz KNGHCCQPBGFGDF-AEFFLSMTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(Cl)CN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972317448 735937064 /nfs/dbraw/zinc/93/70/64/735937064.db2.gz VPNMVQFBRWLFJU-ZBFHGGJFSA-N 1 1 343.855 0.373 20 30 ECEDMO C=C(Cl)CN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972317448 735937069 /nfs/dbraw/zinc/93/70/69/735937069.db2.gz VPNMVQFBRWLFJU-ZBFHGGJFSA-N 1 1 343.855 0.373 20 30 ECEDMO CO[C@@H](C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972322069 735941604 /nfs/dbraw/zinc/94/16/04/735941604.db2.gz ZQVCGRDBESPNIU-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972322069 735941607 /nfs/dbraw/zinc/94/16/07/735941607.db2.gz ZQVCGRDBESPNIU-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341363 735969761 /nfs/dbraw/zinc/96/97/61/735969761.db2.gz FYJJIPQODWYRLH-ZNMIVQPWSA-N 1 1 344.390 0.851 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341363 735969766 /nfs/dbraw/zinc/96/97/66/735969766.db2.gz FYJJIPQODWYRLH-ZNMIVQPWSA-N 1 1 344.390 0.851 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCCC)C[C@H]21 ZINC001114948914 735977688 /nfs/dbraw/zinc/97/76/88/735977688.db2.gz HZHWVNZDQALWIY-DTJSUFBGSA-N 1 1 349.475 0.930 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCCC)C[C@H]21 ZINC001114948914 735977692 /nfs/dbraw/zinc/97/76/92/735977692.db2.gz HZHWVNZDQALWIY-DTJSUFBGSA-N 1 1 349.475 0.930 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972348200 735984215 /nfs/dbraw/zinc/98/42/15/735984215.db2.gz GTAPIMZIDODBLG-XHSDSOJGSA-N 1 1 326.400 0.712 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(CCOC)nn3)C2)C1 ZINC000972375190 736039575 /nfs/dbraw/zinc/03/95/75/736039575.db2.gz VKISYPSIQXKNGQ-QGZVFWFLSA-N 1 1 349.435 0.418 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 ZINC000972387036 736052694 /nfs/dbraw/zinc/05/26/94/736052694.db2.gz KFTXQKLEEXCODD-IIDMSEBBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 ZINC000972387036 736052698 /nfs/dbraw/zinc/05/26/98/736052698.db2.gz KFTXQKLEEXCODD-IIDMSEBBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(=O)NC)nc3)[C@H]2C1 ZINC001083251009 736088649 /nfs/dbraw/zinc/08/86/49/736088649.db2.gz WLQBFBKZDXMXQZ-JKSUJKDBSA-N 1 1 344.415 0.543 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(=O)NC)nc3)[C@H]2C1 ZINC001083251009 736088655 /nfs/dbraw/zinc/08/86/55/736088655.db2.gz WLQBFBKZDXMXQZ-JKSUJKDBSA-N 1 1 344.415 0.543 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001078219564 782510673 /nfs/dbraw/zinc/51/06/73/782510673.db2.gz GDIUVNZQHIVNRQ-HZPDHXFCSA-N 1 1 335.448 0.210 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001078219564 782510682 /nfs/dbraw/zinc/51/06/82/782510682.db2.gz GDIUVNZQHIVNRQ-HZPDHXFCSA-N 1 1 335.448 0.210 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 ZINC000972408002 736137785 /nfs/dbraw/zinc/13/77/85/736137785.db2.gz IGDPYXRHAMJXDZ-MAUKXSAKSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 ZINC000972408002 736137789 /nfs/dbraw/zinc/13/77/89/736137789.db2.gz IGDPYXRHAMJXDZ-MAUKXSAKSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 ZINC000972409698 736141986 /nfs/dbraw/zinc/14/19/86/736141986.db2.gz SJYYYQWVFADJJD-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@]2(C1)C[N@H+](C[C@@H](C)O)CCO2 ZINC000972414281 736151635 /nfs/dbraw/zinc/15/16/35/736151635.db2.gz YUYUJWNDOGDCKM-CRAIPNDOSA-N 1 1 333.432 0.972 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@]2(C1)C[N@@H+](C[C@@H](C)O)CCO2 ZINC000972414281 736151639 /nfs/dbraw/zinc/15/16/39/736151639.db2.gz YUYUJWNDOGDCKM-CRAIPNDOSA-N 1 1 333.432 0.972 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCC=C)CCO2 ZINC000972416253 736153973 /nfs/dbraw/zinc/15/39/73/736153973.db2.gz GKNFVSMDKJSCJZ-HKUYNNGSSA-N 1 1 331.460 0.963 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972424168 736171122 /nfs/dbraw/zinc/17/11/22/736171122.db2.gz GTOTYJYZTYLAQX-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972424168 736171123 /nfs/dbraw/zinc/17/11/23/736171123.db2.gz GTOTYJYZTYLAQX-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 ZINC000972436976 736194556 /nfs/dbraw/zinc/19/45/56/736194556.db2.gz GKNYHDFZEZYCQD-GOSISDBHSA-N 1 1 329.400 0.326 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 ZINC000972436976 736194558 /nfs/dbraw/zinc/19/45/58/736194558.db2.gz GKNYHDFZEZYCQD-GOSISDBHSA-N 1 1 329.400 0.326 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)C1 ZINC000972437244 736195029 /nfs/dbraw/zinc/19/50/29/736195029.db2.gz ACRLFBBXWXVHKO-VQIMIIECSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)C1 ZINC000972437244 736195033 /nfs/dbraw/zinc/19/50/33/736195033.db2.gz ACRLFBBXWXVHKO-VQIMIIECSA-N 1 1 342.443 0.772 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CN(CC#N)CCO2 ZINC000972444396 736211392 /nfs/dbraw/zinc/21/13/92/736211392.db2.gz RXSZMVRMARZTGV-SJLPKXTDSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncnc4[nH]ccc43)C2)C1 ZINC000972448940 736225061 /nfs/dbraw/zinc/22/50/61/736225061.db2.gz DMPXLDZUAYTFHL-GOSISDBHSA-N 1 1 339.399 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncnc4[nH]ccc43)C2)C1 ZINC000972448940 736225067 /nfs/dbraw/zinc/22/50/67/736225067.db2.gz DMPXLDZUAYTFHL-GOSISDBHSA-N 1 1 339.399 0.850 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972459294 736250644 /nfs/dbraw/zinc/25/06/44/736250644.db2.gz SMOSYWDKBPDMOL-QGZVFWFLSA-N 1 1 333.388 0.872 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972459294 736250646 /nfs/dbraw/zinc/25/06/46/736250646.db2.gz SMOSYWDKBPDMOL-QGZVFWFLSA-N 1 1 333.388 0.872 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 ZINC000972461228 736256889 /nfs/dbraw/zinc/25/68/89/736256889.db2.gz PLKRWCCTRIUJRP-KRWDZBQOSA-N 1 1 334.420 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 ZINC000972461228 736256893 /nfs/dbraw/zinc/25/68/93/736256893.db2.gz PLKRWCCTRIUJRP-KRWDZBQOSA-N 1 1 334.420 0.922 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972462963 736261217 /nfs/dbraw/zinc/26/12/17/736261217.db2.gz MZHRVEWSJDMEAN-KRWDZBQOSA-N 1 1 342.403 0.617 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001022989714 736367820 /nfs/dbraw/zinc/36/78/20/736367820.db2.gz PQCTVNZWFXHVQE-TXEJJXNPSA-N 1 1 343.412 0.996 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCCC3=O)C2)nn1 ZINC000972502874 736433852 /nfs/dbraw/zinc/43/38/52/736433852.db2.gz YXDQKTLUDHMVCN-CQSZACIVSA-N 1 1 346.435 0.233 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](C)OC2(CC[NH+](Cc3cnnn3C)CC2)C1 ZINC001098574793 736439589 /nfs/dbraw/zinc/43/95/89/736439589.db2.gz UGQOIKVHDANWBE-ZIAGYGMSSA-N 1 1 346.435 0.557 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)COCCOCC)CC1 ZINC001098575458 736503056 /nfs/dbraw/zinc/50/30/56/736503056.db2.gz PJWIFAIAMDBBGG-UHFFFAOYSA-N 1 1 328.453 0.901 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)COCCOCC)CC1 ZINC001098575553 736509078 /nfs/dbraw/zinc/50/90/78/736509078.db2.gz UOPCXUFDUKSDGB-UHFFFAOYSA-N 1 1 326.437 0.348 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 ZINC000972514877 736513880 /nfs/dbraw/zinc/51/38/80/736513880.db2.gz QQHYWFHBRSKWHG-MSOLQXFVSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@@H+](C)CCn3cccn3)C2)nn1 ZINC000972515741 736516524 /nfs/dbraw/zinc/51/65/24/736516524.db2.gz BJNCUIJCGMUVHL-HNNXBMFYSA-N 1 1 343.435 0.897 20 30 ECEDMO CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262342324 736554757 /nfs/dbraw/zinc/55/47/57/736554757.db2.gz XHRUHSTWFVAMFG-MRXNPFEDSA-N 1 1 333.480 0.909 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cnccn3)C2)C1=O ZINC001023209600 736587862 /nfs/dbraw/zinc/58/78/62/736587862.db2.gz PCUZVRBCSCIOTM-ZBFHGGJFSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001023251639 736621260 /nfs/dbraw/zinc/62/12/60/736621260.db2.gz WEHUFNLVKFOARK-ZFWWWQNUSA-N 1 1 331.420 0.638 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccnn3C)C2)C1=O ZINC001023267464 736632126 /nfs/dbraw/zinc/63/21/26/736632126.db2.gz UICJOBSPZRTAPD-GOEBONIOSA-N 1 1 345.447 0.649 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972542886 736652564 /nfs/dbraw/zinc/65/25/64/736652564.db2.gz FLYWPLIRMSYQLT-QAPCUYQASA-N 1 1 335.448 0.925 20 30 ECEDMO Cc1nc(CN2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n[nH]1 ZINC001023296633 736655933 /nfs/dbraw/zinc/65/59/33/736655933.db2.gz ZGYDPXKZHZBVFH-LBPRGKRZSA-N 1 1 327.392 0.955 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001023296437 736656037 /nfs/dbraw/zinc/65/60/37/736656037.db2.gz XDOKRBCXSRFZNA-LBPRGKRZSA-N 1 1 329.404 0.607 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 ZINC000972547132 736667395 /nfs/dbraw/zinc/66/73/95/736667395.db2.gz VZGVOYZICYYTOV-SFHVURJKSA-N 1 1 329.400 0.326 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 ZINC000972547132 736667396 /nfs/dbraw/zinc/66/73/96/736667396.db2.gz VZGVOYZICYYTOV-SFHVURJKSA-N 1 1 329.400 0.326 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001023319072 736679274 /nfs/dbraw/zinc/67/92/74/736679274.db2.gz SWTMMUPENKIOIB-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023365904 736739897 /nfs/dbraw/zinc/73/98/97/736739897.db2.gz LJBOFDMTDOPMDH-LSDHHAIUSA-N 1 1 343.431 0.614 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114949489 736842487 /nfs/dbraw/zinc/84/24/87/736842487.db2.gz NAEXGEXINWQLBR-SIRPWMCASA-N 1 1 338.448 0.413 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC([N@H+](CCO)Cc2cnon2)CC1 ZINC001098577037 736857427 /nfs/dbraw/zinc/85/74/27/736857427.db2.gz BSYVOZBTDPXMCJ-CYBMUJFWSA-N 1 1 338.408 0.446 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC([N@@H+](CCO)Cc2cnon2)CC1 ZINC001098577037 736857429 /nfs/dbraw/zinc/85/74/29/736857429.db2.gz BSYVOZBTDPXMCJ-CYBMUJFWSA-N 1 1 338.408 0.446 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001023475315 736889500 /nfs/dbraw/zinc/88/95/00/736889500.db2.gz VOMJLYHGGSWNCG-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001023509846 736933597 /nfs/dbraw/zinc/93/35/97/736933597.db2.gz AHEJCMPZPNJFBZ-LSDHHAIUSA-N 1 1 343.418 0.804 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001023510898 736936455 /nfs/dbraw/zinc/93/64/55/736936455.db2.gz SVQOACJGQOHDLF-UONOGXRCSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001023510306 736940871 /nfs/dbraw/zinc/94/08/71/736940871.db2.gz HOPMICBYFCRPFC-QZTJIDSGSA-N 1 1 333.476 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C(F)F)C1 ZINC001059847400 751383070 /nfs/dbraw/zinc/38/30/70/751383070.db2.gz QSEPVDJXNGGQTB-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C(F)F)C1 ZINC001059847400 751383075 /nfs/dbraw/zinc/38/30/75/751383075.db2.gz QSEPVDJXNGGQTB-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001023640110 737125604 /nfs/dbraw/zinc/12/56/04/737125604.db2.gz WJGQMVBSDQUQLB-ZIAGYGMSSA-N 1 1 348.451 0.431 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001023643686 737133008 /nfs/dbraw/zinc/13/30/08/737133008.db2.gz DPHXHTDIEYHELE-KGLIPLIRSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001023651138 737142271 /nfs/dbraw/zinc/14/22/71/737142271.db2.gz JJFCMIIMRYVYCR-ZDUSSCGKSA-N 1 1 327.388 0.406 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC001023709824 737228447 /nfs/dbraw/zinc/22/84/47/737228447.db2.gz CJGPSTOYSNGENW-HUUCEWRRSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@]2(C1)C[N@H+](C[C@H](C)O)CCO2 ZINC000972653707 737260711 /nfs/dbraw/zinc/26/07/11/737260711.db2.gz KISLJVSVHNFTPD-JXFKEZNVSA-N 1 1 342.439 0.895 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@]2(C1)C[N@@H+](C[C@H](C)O)CCO2 ZINC000972653707 737260713 /nfs/dbraw/zinc/26/07/13/737260713.db2.gz KISLJVSVHNFTPD-JXFKEZNVSA-N 1 1 342.439 0.895 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655154 737261397 /nfs/dbraw/zinc/26/13/97/737261397.db2.gz DMMVDDMICXIWKB-SJLPKXTDSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655154 737261399 /nfs/dbraw/zinc/26/13/99/737261399.db2.gz DMMVDDMICXIWKB-SJLPKXTDSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3oncc3C)C2)C1=O ZINC000972655846 737263412 /nfs/dbraw/zinc/26/34/12/737263412.db2.gz CORXAWPOPBZNJK-KBPBESRZSA-N 1 1 332.404 0.916 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972659977 737272101 /nfs/dbraw/zinc/27/21/01/737272101.db2.gz QVNVNZQSBVLCEN-YJBOKZPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972659977 737272106 /nfs/dbraw/zinc/27/21/06/737272106.db2.gz QVNVNZQSBVLCEN-YJBOKZPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC000972663914 737281571 /nfs/dbraw/zinc/28/15/71/737281571.db2.gz DBPMJBCOZTXQDA-KRWDZBQOSA-N 1 1 332.404 0.273 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC000972663914 737281573 /nfs/dbraw/zinc/28/15/73/737281573.db2.gz DBPMJBCOZTXQDA-KRWDZBQOSA-N 1 1 332.404 0.273 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C(C)C)N2CCCC2=O)CC1 ZINC001098581808 737322765 /nfs/dbraw/zinc/32/27/65/737322765.db2.gz BZTNNURETXEMKD-GOSISDBHSA-N 1 1 349.475 0.552 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972674264 737344807 /nfs/dbraw/zinc/34/48/07/737344807.db2.gz BLRSKJZNINACNP-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972674769 737346027 /nfs/dbraw/zinc/34/60/27/737346027.db2.gz SGPHRLZSOULBCQ-QGZVFWFLSA-N 1 1 332.404 0.607 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 ZINC001098582214 737346347 /nfs/dbraw/zinc/34/63/47/737346347.db2.gz MKZAGHWKNAMOKZ-UHFFFAOYSA-N 1 1 344.415 0.103 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 ZINC000972691296 737393596 /nfs/dbraw/zinc/39/35/96/737393596.db2.gz ACWNZAQJLDFVFR-SJLPKXTDSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 ZINC000972693179 737398611 /nfs/dbraw/zinc/39/86/11/737398611.db2.gz WLDKCLAWKUPVSU-AEFFLSMTSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 ZINC000972693179 737398617 /nfs/dbraw/zinc/39/86/17/737398617.db2.gz WLDKCLAWKUPVSU-AEFFLSMTSA-N 1 1 333.432 0.324 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 ZINC000972693102 737398740 /nfs/dbraw/zinc/39/87/40/737398740.db2.gz WCUGOWLSLKRWEE-SJLPKXTDSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 ZINC000972693102 737398742 /nfs/dbraw/zinc/39/87/42/737398742.db2.gz WCUGOWLSLKRWEE-SJLPKXTDSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 ZINC000972693182 737399190 /nfs/dbraw/zinc/39/91/90/737399190.db2.gz WLDKCLAWKUPVSU-SJLPKXTDSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 ZINC000972693182 737399193 /nfs/dbraw/zinc/39/91/93/737399193.db2.gz WLDKCLAWKUPVSU-SJLPKXTDSA-N 1 1 333.432 0.324 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001023872275 737452327 /nfs/dbraw/zinc/45/23/27/737452327.db2.gz BUEIDCJJRFFUTK-CABCVRRESA-N 1 1 345.447 0.947 20 30 ECEDMO C=CCN1CC[C@H](N(C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000972734978 737569907 /nfs/dbraw/zinc/56/99/07/737569907.db2.gz IOOSMIOZESUEAX-CVEARBPZSA-N 1 1 346.475 0.402 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC000972757600 737598737 /nfs/dbraw/zinc/59/87/37/737598737.db2.gz SZMGFWBCWWKOOM-QWHCGFSZSA-N 1 1 330.388 0.114 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC000972835168 737759065 /nfs/dbraw/zinc/75/90/65/737759065.db2.gz PHFYRJZQLNOVNO-VNQPRFMTSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cn[nH]c3)C[C@H]21 ZINC000972835168 737759070 /nfs/dbraw/zinc/75/90/70/737759070.db2.gz PHFYRJZQLNOVNO-VNQPRFMTSA-N 1 1 341.415 0.180 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O ZINC001024157682 737785905 /nfs/dbraw/zinc/78/59/05/737785905.db2.gz QWIKNNIWNGXRNH-BRWVUGGUSA-N 1 1 347.459 0.351 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001024195809 737818012 /nfs/dbraw/zinc/81/80/12/737818012.db2.gz HEYYPDRNFSUTBK-YCPHGPKFSA-N 1 1 348.451 0.520 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CC1 ZINC001098586533 738009003 /nfs/dbraw/zinc/00/90/03/738009003.db2.gz HSNXISWBDZRHHV-MRXNPFEDSA-N 1 1 337.464 0.456 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnn(C)c1 ZINC001024486702 738014040 /nfs/dbraw/zinc/01/40/40/738014040.db2.gz GHJDZSWRWNZVQV-ROUUACIJSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnn(C)c1 ZINC001024486702 738014043 /nfs/dbraw/zinc/01/40/43/738014043.db2.gz GHJDZSWRWNZVQV-ROUUACIJSA-N 1 1 343.475 0.988 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001039761094 738038157 /nfs/dbraw/zinc/03/81/57/738038157.db2.gz YROQIFGMDWQKMS-RDTXWAMCSA-N 1 1 335.448 0.067 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001024511662 738042415 /nfs/dbraw/zinc/04/24/15/738042415.db2.gz JDTZATWTGVQUSI-CYBMUJFWSA-N 1 1 339.417 0.535 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001024511662 738042419 /nfs/dbraw/zinc/04/24/19/738042419.db2.gz JDTZATWTGVQUSI-CYBMUJFWSA-N 1 1 339.417 0.535 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001024530318 738065254 /nfs/dbraw/zinc/06/52/54/738065254.db2.gz FLZZHBWOEQSACL-ZDUSSCGKSA-N 1 1 328.372 0.630 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001024530318 738065258 /nfs/dbraw/zinc/06/52/58/738065258.db2.gz FLZZHBWOEQSACL-ZDUSSCGKSA-N 1 1 328.372 0.630 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)ccn2)CC1 ZINC001098588803 738130887 /nfs/dbraw/zinc/13/08/87/738130887.db2.gz OYBRABFRRHDXCC-UHFFFAOYSA-N 1 1 344.415 0.103 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)on2)C1 ZINC000972944764 738162751 /nfs/dbraw/zinc/16/27/51/738162751.db2.gz RWNGQXMSJDKZFA-YDHLFZDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)on2)C1 ZINC000972944764 738162754 /nfs/dbraw/zinc/16/27/54/738162754.db2.gz RWNGQXMSJDKZFA-YDHLFZDLSA-N 1 1 330.388 0.458 20 30 ECEDMO O=C(NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CNC(=O)N1 ZINC001024626038 738182177 /nfs/dbraw/zinc/18/21/77/738182177.db2.gz AUHUOOOBRYYGJX-IRXDYDNUSA-N 1 1 340.427 0.690 20 30 ECEDMO O=C(NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1)[C@@H]1CNC(=O)N1 ZINC001024626038 738182179 /nfs/dbraw/zinc/18/21/79/738182179.db2.gz AUHUOOOBRYYGJX-IRXDYDNUSA-N 1 1 340.427 0.690 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001024778957 738285748 /nfs/dbraw/zinc/28/57/48/738285748.db2.gz LCKKQXJETFFKEN-RBSFLKMASA-N 1 1 335.448 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1ncn(C)c1=O ZINC001025251009 738934246 /nfs/dbraw/zinc/93/42/46/738934246.db2.gz GSTYEYNUOVYXST-HOTGVXAUSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025258143 738943767 /nfs/dbraw/zinc/94/37/67/738943767.db2.gz JCMQBZAARCAMBY-IAGOWNOFSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(N)=O)cc1 ZINC001028182967 751401760 /nfs/dbraw/zinc/40/17/60/751401760.db2.gz JGQAYVFKXAZMDB-HIFRSBDPSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(N)=O)cc1 ZINC001028182967 751401762 /nfs/dbraw/zinc/40/17/62/751401762.db2.gz JGQAYVFKXAZMDB-HIFRSBDPSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025297840 739019023 /nfs/dbraw/zinc/01/90/23/739019023.db2.gz QXHFPRFNXJHBDI-HUUCEWRRSA-N 1 1 346.431 0.407 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C3(C(=O)N(C)C)CC3)C2)nn1 ZINC001105359300 751412076 /nfs/dbraw/zinc/41/20/76/751412076.db2.gz BIZPNBXZYAOIIC-UHFFFAOYSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccns2)C1 ZINC000973344562 739124155 /nfs/dbraw/zinc/12/41/55/739124155.db2.gz PSKBVPWUMWFCBF-AVGNSLFASA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccns2)C1 ZINC000973344562 739124159 /nfs/dbraw/zinc/12/41/59/739124159.db2.gz PSKBVPWUMWFCBF-AVGNSLFASA-N 1 1 332.429 0.618 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCCN(C)C2=O)nn1 ZINC001028187184 751419352 /nfs/dbraw/zinc/41/93/52/751419352.db2.gz FBBCSZXKTIUVFO-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)NC2CC2)nn1 ZINC001028187953 751419820 /nfs/dbraw/zinc/41/98/20/751419820.db2.gz RBFHEQVHGBYVFD-JSGCOSHPSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC2CC2)nn1 ZINC001028187953 751419823 /nfs/dbraw/zinc/41/98/23/751419823.db2.gz RBFHEQVHGBYVFD-JSGCOSHPSA-N 1 1 346.435 0.325 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC000973485152 739379676 /nfs/dbraw/zinc/37/96/76/739379676.db2.gz LNROTPDJMRCSFH-JQFCIGGWSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NC)C3)c1 ZINC000982002247 751441289 /nfs/dbraw/zinc/44/12/89/751441289.db2.gz NHNYTHWATXJHIY-UHFFFAOYSA-N 1 1 326.400 0.347 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NC)C3)c1 ZINC000982002247 751441291 /nfs/dbraw/zinc/44/12/91/751441291.db2.gz NHNYTHWATXJHIY-UHFFFAOYSA-N 1 1 326.400 0.347 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC000973545360 739496375 /nfs/dbraw/zinc/49/63/75/739496375.db2.gz QBUPVGHBDCORPB-JQFCIGGWSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2coc(COC)n2)CC1 ZINC001098515707 751453875 /nfs/dbraw/zinc/45/38/75/751453875.db2.gz IDHRRCHYOOBQBK-UHFFFAOYSA-N 1 1 335.404 0.743 20 30 ECEDMO C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001104728582 739555120 /nfs/dbraw/zinc/55/51/20/739555120.db2.gz UNTAXVLSJXITNY-NSHDSACASA-N 1 1 343.391 0.970 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000988015635 751457539 /nfs/dbraw/zinc/45/75/39/751457539.db2.gz RHXJVGHAAVTLKU-KBPBESRZSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000973591842 739565365 /nfs/dbraw/zinc/56/53/65/739565365.db2.gz GGZOINPIPQBBGP-NPYXIHBLSA-N 1 1 345.443 0.369 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000973591842 739565367 /nfs/dbraw/zinc/56/53/67/739565367.db2.gz GGZOINPIPQBBGP-NPYXIHBLSA-N 1 1 345.443 0.369 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC000973607678 739578796 /nfs/dbraw/zinc/57/87/96/739578796.db2.gz BIZVCSZUEWSWEQ-JZIBPQBNSA-N 1 1 329.404 0.989 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001025471083 739612756 /nfs/dbraw/zinc/61/27/56/739612756.db2.gz CIMZNOJLVJELKN-ZIAGYGMSSA-N 1 1 330.432 0.978 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282723 739653289 /nfs/dbraw/zinc/65/32/89/739653289.db2.gz QDKRIHUBLMIDLX-HRCADAONSA-N 1 1 343.431 0.084 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282723 739653290 /nfs/dbraw/zinc/65/32/90/739653290.db2.gz QDKRIHUBLMIDLX-HRCADAONSA-N 1 1 343.431 0.084 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2nc3ncccn3n2)C1 ZINC001025571229 739734699 /nfs/dbraw/zinc/73/46/99/739734699.db2.gz NLDWSNJLJLCYKV-KGLIPLIRSA-N 1 1 326.404 0.978 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001025629471 739793845 /nfs/dbraw/zinc/79/38/45/739793845.db2.gz HBFJZQMXAXSXKH-UONOGXRCSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)n2cccn2)C1=O ZINC001025688168 739865331 /nfs/dbraw/zinc/86/53/31/739865331.db2.gz PUJKMFJPNIFFOI-AALSBFMBSA-N 1 1 343.431 0.277 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCCNC1=O)C2 ZINC000982023576 751487411 /nfs/dbraw/zinc/48/74/11/751487411.db2.gz MTEXUSRTNKNHIA-PMPSAXMXSA-N 1 1 347.459 0.781 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C)nn1 ZINC000988071075 751497550 /nfs/dbraw/zinc/49/75/50/751497550.db2.gz VVXCBURWCKUHOD-RDBSUJKOSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]21 ZINC001025814091 739997186 /nfs/dbraw/zinc/99/71/86/739997186.db2.gz QUUGESYFJSSPIV-QXCZDIPSSA-N 1 1 345.487 0.947 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]21 ZINC001025814059 739997241 /nfs/dbraw/zinc/99/72/41/739997241.db2.gz KOWIXSFCTCPYCE-ZBRFXRBCSA-N 1 1 345.487 0.946 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N[C@@H](CC(C)C)C1 ZINC001025847323 740018925 /nfs/dbraw/zinc/01/89/25/740018925.db2.gz KOFHDDGGPRKJAT-OCABDXPQSA-N 1 1 331.460 0.997 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccncn2)C1=O ZINC001028212660 751513967 /nfs/dbraw/zinc/51/39/67/751513967.db2.gz DBXWMMKUIKERGN-UKRRQHHQSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccncn2)C1=O ZINC001028212660 751513973 /nfs/dbraw/zinc/51/39/73/751513973.db2.gz DBXWMMKUIKERGN-UKRRQHHQSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccncn2)C1=O ZINC001028212658 751514120 /nfs/dbraw/zinc/51/41/20/751514120.db2.gz DBXWMMKUIKERGN-DZGCQCFKSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccncn2)C1=O ZINC001028212658 751514124 /nfs/dbraw/zinc/51/41/24/751514124.db2.gz DBXWMMKUIKERGN-DZGCQCFKSA-N 1 1 329.404 0.458 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)C[N@H+]1CCC[C@@H]1C)CCO2 ZINC001068464175 790321586 /nfs/dbraw/zinc/32/15/86/790321586.db2.gz ZWQPYNRRXKAANE-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982046550 751531386 /nfs/dbraw/zinc/53/13/86/751531386.db2.gz NFPAXNUYKHDPAB-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982046550 751531390 /nfs/dbraw/zinc/53/13/90/751531390.db2.gz NFPAXNUYKHDPAB-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3csc(COC)n3)[C@H]2C1 ZINC001083290069 740377373 /nfs/dbraw/zinc/37/73/73/740377373.db2.gz GJMTYUBQLYKMTM-UONOGXRCSA-N 1 1 335.429 0.838 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3csc(COC)n3)[C@H]2C1 ZINC001083290069 740377377 /nfs/dbraw/zinc/37/73/77/740377377.db2.gz GJMTYUBQLYKMTM-UONOGXRCSA-N 1 1 335.429 0.838 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC000982064827 751545513 /nfs/dbraw/zinc/54/55/13/751545513.db2.gz YGAKOTXRPXXOIF-CQSZACIVSA-N 1 1 341.477 0.521 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C2)C1 ZINC000982067951 751547700 /nfs/dbraw/zinc/54/77/00/751547700.db2.gz VBLOLWSTMSORBX-MRXNPFEDSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C2)C1 ZINC000982067951 751547704 /nfs/dbraw/zinc/54/77/04/751547704.db2.gz VBLOLWSTMSORBX-MRXNPFEDSA-N 1 1 338.473 0.901 20 30 ECEDMO CN(C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccc(C#N)nn1 ZINC001058690645 740480315 /nfs/dbraw/zinc/48/03/15/740480315.db2.gz PVUVFFZWQLVWIW-GJZGRUSLSA-N 1 1 342.447 0.975 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC000982048868 751549494 /nfs/dbraw/zinc/54/94/94/751549494.db2.gz YEPJPLNJWARFMY-UHFFFAOYSA-N 1 1 346.431 0.198 20 30 ECEDMO C=CCC[N@H+]1CCCN(C(=O)Cn2ncn3nccc3c2=O)CC1 ZINC000982069946 751560546 /nfs/dbraw/zinc/56/05/46/751560546.db2.gz JBTIRRZBWKCGNO-UHFFFAOYSA-N 1 1 330.392 0.001 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973994845 740742713 /nfs/dbraw/zinc/74/27/13/740742713.db2.gz OFSXITRWMXBSOM-BETUJISGSA-N 1 1 326.360 0.469 20 30 ECEDMO C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104869753 740769427 /nfs/dbraw/zinc/76/94/27/740769427.db2.gz CZHSSMUTPGLBBC-UMVBOHGHSA-N 1 1 331.420 0.931 20 30 ECEDMO C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104869753 740769429 /nfs/dbraw/zinc/76/94/29/740769429.db2.gz CZHSSMUTPGLBBC-UMVBOHGHSA-N 1 1 331.420 0.931 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cccnn2)C1=O ZINC001028216698 751598165 /nfs/dbraw/zinc/59/81/65/751598165.db2.gz JVESOLVZXBUCIY-ZFWWWQNUSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cccnn2)C1=O ZINC001028216698 751598166 /nfs/dbraw/zinc/59/81/66/751598166.db2.gz JVESOLVZXBUCIY-ZFWWWQNUSA-N 1 1 329.404 0.458 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4nnn(C)n4)[C@@H]3C2)C1 ZINC001026356218 741028009 /nfs/dbraw/zinc/02/80/09/741028009.db2.gz OJJBMDLGSGRRBZ-MJBXVCDLSA-N 1 1 330.436 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccns2)C1 ZINC000974201890 741098866 /nfs/dbraw/zinc/09/88/66/741098866.db2.gz PSKBVPWUMWFCBF-XQQFMLRXSA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccns2)C1 ZINC000974201890 741098870 /nfs/dbraw/zinc/09/88/70/741098870.db2.gz PSKBVPWUMWFCBF-XQQFMLRXSA-N 1 1 332.429 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)cn1 ZINC001087405097 741103448 /nfs/dbraw/zinc/10/34/48/741103448.db2.gz DHXFJPGKBAUYEW-OWLYRPNTSA-N 1 1 325.412 0.838 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC000982116748 751609965 /nfs/dbraw/zinc/60/99/65/751609965.db2.gz RXXLBGDXPQOTPJ-UHFFFAOYSA-N 1 1 334.376 0.620 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)cn1 ZINC001087406249 741158643 /nfs/dbraw/zinc/15/86/43/741158643.db2.gz WDTVSJPSKUJMKR-ORQFMDKSSA-N 1 1 338.411 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000974263006 741192746 /nfs/dbraw/zinc/19/27/46/741192746.db2.gz JEJHNVABNVYDCJ-KRXQYRFLSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000974263006 741192748 /nfs/dbraw/zinc/19/27/48/741192748.db2.gz JEJHNVABNVYDCJ-KRXQYRFLSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CCC2)C[C@H]1C(F)(F)F ZINC001112076646 741272491 /nfs/dbraw/zinc/27/24/91/741272491.db2.gz IMYYKODABRCPDC-CHWSQXEVSA-N 1 1 345.365 0.905 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)CCCOC)C2)nn1 ZINC001105174315 741437856 /nfs/dbraw/zinc/43/78/56/741437856.db2.gz VRWBXAKQBIRROC-UHFFFAOYSA-N 1 1 337.424 0.380 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](Nc2ccc(C#N)nn2)C(C)C)C1 ZINC001105188580 741455592 /nfs/dbraw/zinc/45/55/92/741455592.db2.gz FAVUWBOIGRTHQG-LSDHHAIUSA-N 1 1 346.435 0.622 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](Nc2ccc(C#N)nn2)C(C)C)C1 ZINC001105188580 741455595 /nfs/dbraw/zinc/45/55/95/741455595.db2.gz FAVUWBOIGRTHQG-LSDHHAIUSA-N 1 1 346.435 0.622 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)cn3)C2)nn1 ZINC001105210872 741479683 /nfs/dbraw/zinc/47/96/83/741479683.db2.gz ARFNAYDHPNWEHI-UHFFFAOYSA-N 1 1 345.407 0.001 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3nnc(C)o3)C2)nn1 ZINC001105227804 741509457 /nfs/dbraw/zinc/50/94/57/741509457.db2.gz ZKGSDMSFJXOBRQ-UHFFFAOYSA-N 1 1 331.380 0.261 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105240437 741531839 /nfs/dbraw/zinc/53/18/39/741531839.db2.gz NGURYJRBJNQPLG-OAHLLOKOSA-N 1 1 331.424 0.147 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240564 741533437 /nfs/dbraw/zinc/53/34/37/741533437.db2.gz RRMJEKRHZWCBJD-HOCLYGCPSA-N 1 1 342.447 0.259 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 ZINC001105256633 741571901 /nfs/dbraw/zinc/57/19/01/741571901.db2.gz LEXCYVVUDUYZCU-CQSZACIVSA-N 1 1 345.451 0.252 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCOC[C@H]3OC)C2)nn1 ZINC001105259913 741582716 /nfs/dbraw/zinc/58/27/16/741582716.db2.gz RMILAYANJKMGOK-CZUORRHYSA-N 1 1 349.435 0.379 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3cn(C)nc3C)C2)nn1 ZINC001105259900 741582793 /nfs/dbraw/zinc/58/27/93/741582793.db2.gz RDQIAIZQDNFFIW-UHFFFAOYSA-N 1 1 343.435 0.612 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268736 741612007 /nfs/dbraw/zinc/61/20/07/741612007.db2.gz XERDJTMQNJAOIV-HOCLYGCPSA-N 1 1 343.435 0.291 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]c4c3CCC4)C2)nn1 ZINC001105276838 741627283 /nfs/dbraw/zinc/62/72/83/741627283.db2.gz TVJSRDUZPSWDRW-UHFFFAOYSA-N 1 1 327.392 0.463 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)nn1 ZINC001105280776 741636880 /nfs/dbraw/zinc/63/68/80/741636880.db2.gz CIEQTCSNSZKLPL-AWEZNQCLSA-N 1 1 346.435 0.196 20 30 ECEDMO C=C1CCC(C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001058725471 741643740 /nfs/dbraw/zinc/64/37/40/741643740.db2.gz HSUYVNHEKRABPT-MRXNPFEDSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H](C)CO3)C2)nn1 ZINC001105285189 741644933 /nfs/dbraw/zinc/64/49/33/741644933.db2.gz HJFIAEOZOAVZMC-XJKSGUPXSA-N 1 1 349.435 0.379 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C2)nn1 ZINC001105297717 741675647 /nfs/dbraw/zinc/67/56/47/741675647.db2.gz UFKIRAYKJZRCFR-LBPRGKRZSA-N 1 1 348.451 0.488 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)c1 ZINC001006681200 751664067 /nfs/dbraw/zinc/66/40/67/751664067.db2.gz DSZPQQVQFKJPAH-OAHLLOKOSA-N 1 1 325.376 0.326 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)c1 ZINC001006681200 751664071 /nfs/dbraw/zinc/66/40/71/751664071.db2.gz DSZPQQVQFKJPAH-OAHLLOKOSA-N 1 1 325.376 0.326 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974473179 741778627 /nfs/dbraw/zinc/77/86/27/741778627.db2.gz RRQBBWWKJBWUGB-RISCZKNCSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974473179 741778629 /nfs/dbraw/zinc/77/86/29/741778629.db2.gz RRQBBWWKJBWUGB-RISCZKNCSA-N 1 1 331.420 0.803 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000982165443 751669155 /nfs/dbraw/zinc/66/91/55/751669155.db2.gz GINMJVHRRSSTIZ-CQSZACIVSA-N 1 1 329.466 0.521 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)nn1 ZINC001105326935 741805330 /nfs/dbraw/zinc/80/53/30/741805330.db2.gz MKMPLHWRVZDWLZ-KRWDZBQOSA-N 1 1 346.479 0.895 20 30 ECEDMO C=CCC1(C(=O)N(CCO)CCNC(=O)Cn2cc[nH+]c2C)CCC1 ZINC001058732852 741826589 /nfs/dbraw/zinc/82/65/89/741826589.db2.gz NYGXBZHPAZSUKL-UHFFFAOYSA-N 1 1 348.447 0.875 20 30 ECEDMO CC(C)(C)n1nnc(C[NH2+]C[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001026835381 741932698 /nfs/dbraw/zinc/93/26/98/741932698.db2.gz WKMVBNQJDVHZPI-CQSZACIVSA-N 1 1 330.436 0.780 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC001026879885 742016217 /nfs/dbraw/zinc/01/62/17/742016217.db2.gz DIDKRRRLVWKHKD-GOEBONIOSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974769221 742160654 /nfs/dbraw/zinc/16/06/54/742160654.db2.gz WSBHTMMVDMSAAL-GFCCVEGCSA-N 1 1 339.417 0.391 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974834772 742237287 /nfs/dbraw/zinc/23/72/87/742237287.db2.gz JIESMDIGXXIDLU-CQSZACIVSA-N 1 1 343.493 0.815 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000974970163 742397807 /nfs/dbraw/zinc/39/78/07/742397807.db2.gz DEJLJARIWXIYGE-RBSFLKMASA-N 1 1 332.448 0.937 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974998191 742426744 /nfs/dbraw/zinc/42/67/44/742426744.db2.gz QVTONEJPKVPDBX-OLZOCXBDSA-N 1 1 347.444 0.628 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974998191 742426747 /nfs/dbraw/zinc/42/67/47/742426747.db2.gz QVTONEJPKVPDBX-OLZOCXBDSA-N 1 1 347.444 0.628 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC1(C)C ZINC000975069205 742471750 /nfs/dbraw/zinc/47/17/50/742471750.db2.gz ZRRAXGYLXCXEET-QLFBSQMISA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)CC1(C)C ZINC000975069205 742471753 /nfs/dbraw/zinc/47/17/53/742471753.db2.gz ZRRAXGYLXCXEET-QLFBSQMISA-N 1 1 335.448 0.636 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000975181746 742573000 /nfs/dbraw/zinc/57/30/00/742573000.db2.gz VWOVUXAXLPUOSD-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000975181746 742573002 /nfs/dbraw/zinc/57/30/02/742573002.db2.gz VWOVUXAXLPUOSD-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000975194679 742587280 /nfs/dbraw/zinc/58/72/80/742587280.db2.gz RZCRHERZWJNTPC-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000975227998 742622658 /nfs/dbraw/zinc/62/26/58/742622658.db2.gz ZBQLNOYIMYWUFL-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO CC#CC[NH+]1CCC2(CC1)CN(C(=O)c1[nH]nnc1C)C[C@@H](C)O2 ZINC001098623448 742667688 /nfs/dbraw/zinc/66/76/88/742667688.db2.gz HWDOKIRRNVGCDZ-CYBMUJFWSA-N 1 1 331.420 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC001028935948 742916783 /nfs/dbraw/zinc/91/67/83/742916783.db2.gz NQQWOLCSSLEFKQ-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001028936010 742918161 /nfs/dbraw/zinc/91/81/61/742918161.db2.gz AMVCFMHJWIIFLS-KBPBESRZSA-N 1 1 344.415 0.280 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001028937012 742922043 /nfs/dbraw/zinc/92/20/43/742922043.db2.gz LMLVMTJRDMMULS-HIFRSBDPSA-N 1 1 344.415 0.409 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001028977008 743043477 /nfs/dbraw/zinc/04/34/77/743043477.db2.gz RJSZYLKOFNVUFZ-HNNXBMFYSA-N 1 1 328.416 0.930 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC000996973599 743082442 /nfs/dbraw/zinc/08/24/42/743082442.db2.gz DHVAKZRWQKAXNR-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC000996973599 743082452 /nfs/dbraw/zinc/08/24/52/743082452.db2.gz DHVAKZRWQKAXNR-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO CCO[C@H](CC)C(=O)NC[C@@H]1C[N@H+](CC#CCOC)CCCO1 ZINC001149310222 743125770 /nfs/dbraw/zinc/12/57/70/743125770.db2.gz MBNKTBJVXQYFMX-HZPDHXFCSA-N 1 1 326.437 0.658 20 30 ECEDMO CCO[C@H](CC)C(=O)NC[C@@H]1C[N@@H+](CC#CCOC)CCCO1 ZINC001149310222 743125775 /nfs/dbraw/zinc/12/57/75/743125775.db2.gz MBNKTBJVXQYFMX-HZPDHXFCSA-N 1 1 326.437 0.658 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(Cc3ccnn3C)C2)CC1 ZINC001029000409 743146418 /nfs/dbraw/zinc/14/64/18/743146418.db2.gz ATFPVENUTXOWOJ-INIZCTEOSA-N 1 1 343.475 0.703 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C)c1 ZINC001020561253 751798072 /nfs/dbraw/zinc/79/80/72/751798072.db2.gz ILTWNCFLYUABRR-RRQGHBQHSA-N 1 1 340.427 0.876 20 30 ECEDMO CC[NH+]=C(NC[C@@H]1CCN(C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261978904 743262203 /nfs/dbraw/zinc/26/22/03/743262203.db2.gz OKBRZBZQAFGXNN-ZDUSSCGKSA-N 1 1 330.498 0.413 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C(C)(C)c2cnn(C)c2)CC1 ZINC001098516673 751811522 /nfs/dbraw/zinc/81/15/22/751811522.db2.gz ZRIBHODCMQNYEV-UHFFFAOYSA-N 1 1 332.448 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1cnco1 ZINC000975856295 743346717 /nfs/dbraw/zinc/34/67/17/743346717.db2.gz XCZIJZCWRDZPJU-CABCVRRESA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1cnco1 ZINC000975856295 743346727 /nfs/dbraw/zinc/34/67/27/743346727.db2.gz XCZIJZCWRDZPJU-CABCVRRESA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC000975854315 743356051 /nfs/dbraw/zinc/35/60/51/743356051.db2.gz XWTCSPVOCDWGGV-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC000975854315 743356060 /nfs/dbraw/zinc/35/60/60/743356060.db2.gz XWTCSPVOCDWGGV-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001105381266 743451862 /nfs/dbraw/zinc/45/18/62/743451862.db2.gz VTHMGJKTXRVTFI-OLZOCXBDSA-N 1 1 337.424 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(Cl)c(=O)[nH]n2)C1 ZINC001059868299 751839151 /nfs/dbraw/zinc/83/91/51/751839151.db2.gz PCGKQVGPTCBXII-LOWVWBTDSA-N 1 1 349.822 0.992 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(Cl)c(=O)[nH]n2)C1 ZINC001059868299 751839162 /nfs/dbraw/zinc/83/91/62/751839162.db2.gz PCGKQVGPTCBXII-LOWVWBTDSA-N 1 1 349.822 0.992 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(C)nc(CO)n2)C1 ZINC001059870902 751849129 /nfs/dbraw/zinc/84/91/29/751849129.db2.gz IHLCSUUNZYREIN-ZNMIVQPWSA-N 1 1 343.431 0.434 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(C)nc(CO)n2)C1 ZINC001059870902 751849139 /nfs/dbraw/zinc/84/91/39/751849139.db2.gz IHLCSUUNZYREIN-ZNMIVQPWSA-N 1 1 343.431 0.434 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)CCN2CCCS2(=O)=O)C1 ZINC001027336253 743795414 /nfs/dbraw/zinc/79/54/14/743795414.db2.gz OSFYZHULWVTHCJ-ZIAGYGMSSA-N 1 1 342.465 0.104 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC(C)(C)O ZINC000997770495 743800405 /nfs/dbraw/zinc/80/04/05/743800405.db2.gz YRQRFHYMODZZBE-UGUYLWEFSA-N 1 1 347.459 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC(C)(C)O ZINC000997770495 743800407 /nfs/dbraw/zinc/80/04/07/743800407.db2.gz YRQRFHYMODZZBE-UGUYLWEFSA-N 1 1 347.459 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1C ZINC000997775639 743804092 /nfs/dbraw/zinc/80/40/92/743804092.db2.gz ZCORDAVOIFBHPR-FFRIZKCHSA-N 1 1 329.444 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1C ZINC000997775639 743804096 /nfs/dbraw/zinc/80/40/96/743804096.db2.gz ZCORDAVOIFBHPR-FFRIZKCHSA-N 1 1 329.444 0.988 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000976409504 743919890 /nfs/dbraw/zinc/91/98/90/743919890.db2.gz TZNORRUHCQAGIE-BZRJDHSHSA-N 1 1 341.415 0.271 20 30 ECEDMO C=CCCn1cc(C(=O)N(CC)[C@H]2CCC[N@H+](CC(N)=O)CC2)nn1 ZINC000998152454 744009669 /nfs/dbraw/zinc/00/96/69/744009669.db2.gz BWHOKIBMOKDGMD-AWEZNQCLSA-N 1 1 348.451 0.656 20 30 ECEDMO C=CCCn1cc(C(=O)N(CC)[C@H]2CCC[N@@H+](CC(N)=O)CC2)nn1 ZINC000998152454 744009671 /nfs/dbraw/zinc/00/96/71/744009671.db2.gz BWHOKIBMOKDGMD-AWEZNQCLSA-N 1 1 348.451 0.656 20 30 ECEDMO Cn1nncc1C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027372255 744020669 /nfs/dbraw/zinc/02/06/69/744020669.db2.gz PTTQIVZQPZQGHD-ZDUSSCGKSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1nncc1C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027372255 744020671 /nfs/dbraw/zinc/02/06/71/744020671.db2.gz PTTQIVZQPZQGHD-ZDUSSCGKSA-N 1 1 327.392 0.751 20 30 ECEDMO C[N@@H+]([C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@H]1CCCNC1=O ZINC001027375032 744032602 /nfs/dbraw/zinc/03/26/02/744032602.db2.gz MREYTOUEEKTWFI-GJZGRUSLSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000998193762 744042399 /nfs/dbraw/zinc/04/23/99/744042399.db2.gz BZVLUIMKQOLKLP-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1 ZINC000976538997 744045402 /nfs/dbraw/zinc/04/54/02/744045402.db2.gz ZSDNFHBHJIBYCN-RMRHIDDWSA-N 1 1 327.388 0.025 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000976545199 744067992 /nfs/dbraw/zinc/06/79/92/744067992.db2.gz GZHFLAAHOCLUFK-VIKVFOODSA-N 1 1 338.371 0.278 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ncc[nH]3)C2)C1=O ZINC001027404904 744201738 /nfs/dbraw/zinc/20/17/38/744201738.db2.gz KLWAFUUZSHVWNR-ZIAGYGMSSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000998508890 744204740 /nfs/dbraw/zinc/20/47/40/744204740.db2.gz DXDFFEWGCDPFPN-JXQTWKCFSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000998589642 744246008 /nfs/dbraw/zinc/24/60/08/744246008.db2.gz VQIZSMHGJBFSEZ-GJZGRUSLSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC000976735776 744260995 /nfs/dbraw/zinc/26/09/95/744260995.db2.gz LGZKCNQRFQTLKO-XUWVNRHRSA-N 1 1 326.400 0.299 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC000976735776 744260998 /nfs/dbraw/zinc/26/09/98/744260998.db2.gz LGZKCNQRFQTLKO-XUWVNRHRSA-N 1 1 326.400 0.299 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)C(C)C)C[C@H]21 ZINC000976736501 744261853 /nfs/dbraw/zinc/26/18/53/744261853.db2.gz NMLPJYDGVSUASZ-ZOFXXKQRSA-N 1 1 331.460 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)C(C)C)C[C@H]21 ZINC000976736501 744261857 /nfs/dbraw/zinc/26/18/57/744261857.db2.gz NMLPJYDGVSUASZ-ZOFXXKQRSA-N 1 1 331.460 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C=C3CCC3)C[C@H]21 ZINC000976738020 744264031 /nfs/dbraw/zinc/26/40/31/744264031.db2.gz AUELDKAZGAHJII-UIBIWLFHSA-N 1 1 327.428 0.767 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C=C3CCC3)C[C@H]21 ZINC000976738020 744264037 /nfs/dbraw/zinc/26/40/37/744264037.db2.gz AUELDKAZGAHJII-UIBIWLFHSA-N 1 1 327.428 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CCOCC3)C[C@H]21 ZINC000976739007 744264845 /nfs/dbraw/zinc/26/48/45/744264845.db2.gz GSYGRXZEFBHTCD-VVLHAWIVSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CCOCC3)C[C@H]21 ZINC000976739007 744264849 /nfs/dbraw/zinc/26/48/49/744264849.db2.gz GSYGRXZEFBHTCD-VVLHAWIVSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]cc3C)C[C@H]21 ZINC000976740030 744266421 /nfs/dbraw/zinc/26/64/21/744266421.db2.gz KMYJFGUWDKPLOV-KNCOVGOOSA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3n[nH]cc3C)C[C@H]21 ZINC000976740030 744266423 /nfs/dbraw/zinc/26/64/23/744266423.db2.gz KMYJFGUWDKPLOV-KNCOVGOOSA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC3CCC3)C[C@H]21 ZINC000976743250 744278718 /nfs/dbraw/zinc/27/87/18/744278718.db2.gz WULJPBIFBBTZSP-UIBIWLFHSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC3CCC3)C[C@H]21 ZINC000976743250 744278719 /nfs/dbraw/zinc/27/87/19/744278719.db2.gz WULJPBIFBBTZSP-UIBIWLFHSA-N 1 1 329.444 0.847 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCOCC3=O)C[C@@]2(C)C1 ZINC000982298066 751906965 /nfs/dbraw/zinc/90/69/65/751906965.db2.gz YYIZZYGKXIEXTB-HDICACEKSA-N 1 1 335.448 0.592 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000998754294 744315912 /nfs/dbraw/zinc/31/59/12/744315912.db2.gz OKJGXHQQVBYMAU-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000998841513 744368898 /nfs/dbraw/zinc/36/88/98/744368898.db2.gz BXSQKBNSWVNGNK-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nncn1C ZINC000998849652 744371145 /nfs/dbraw/zinc/37/11/45/744371145.db2.gz PDNNKUCELQFIIY-YPMHNXCESA-N 1 1 327.392 0.970 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CCc3nc[nH]n3)C2)C1=O ZINC000998860572 744375898 /nfs/dbraw/zinc/37/58/98/744375898.db2.gz WHUXCDHEJCIMJX-UONOGXRCSA-N 1 1 346.435 0.105 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccn(CC)n3)C2)nn1 ZINC001105339412 744395506 /nfs/dbraw/zinc/39/55/06/744395506.db2.gz QMTQSADQWIFGLS-UHFFFAOYSA-N 1 1 329.408 0.857 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1C ZINC000998962788 744433375 /nfs/dbraw/zinc/43/33/75/744433375.db2.gz VKMOKYLYHGTCRN-CYBMUJFWSA-N 1 1 341.419 0.972 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000998962732 744433408 /nfs/dbraw/zinc/43/34/08/744433408.db2.gz UJMIYSVZYBRKTA-CYBMUJFWSA-N 1 1 327.392 0.892 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001068464483 790322184 /nfs/dbraw/zinc/32/21/84/790322184.db2.gz NVXAAMHLEGIWCK-YDHLFZDLSA-N 1 1 344.419 0.294 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001027446266 744483616 /nfs/dbraw/zinc/48/36/16/744483616.db2.gz DTQQDROARHDESS-QWRGUYRKSA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001027446266 744483618 /nfs/dbraw/zinc/48/36/18/744483618.db2.gz DTQQDROARHDESS-QWRGUYRKSA-N 1 1 328.800 0.260 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)nn1 ZINC001105339610 744564455 /nfs/dbraw/zinc/56/44/55/744564455.db2.gz UOJZUAJJXFHTAG-ZDUSSCGKSA-N 1 1 346.435 0.196 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)c1 ZINC000999317205 744621710 /nfs/dbraw/zinc/62/17/10/744621710.db2.gz DPDWQZAMJJPCBQ-MRXNPFEDSA-N 1 1 349.394 0.778 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]31)CC2 ZINC000977076334 744640326 /nfs/dbraw/zinc/64/03/26/744640326.db2.gz SXKMFBZCOZNMAV-JCGRBJNKSA-N 1 1 341.415 0.487 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC000999356717 744649864 /nfs/dbraw/zinc/64/98/64/744649864.db2.gz BVNMJHWTMHJILQ-ZDUSSCGKSA-N 1 1 329.408 0.592 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000977215234 744794399 /nfs/dbraw/zinc/79/43/99/744794399.db2.gz GRNGFOQKMTXSGN-UDOHHAEJSA-N 1 1 347.459 0.492 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnon1)C2 ZINC000999631894 744805042 /nfs/dbraw/zinc/80/50/42/744805042.db2.gz JKTWRORIJNPURB-DHMWGJHJSA-N 1 1 343.387 0.029 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnon1)C2 ZINC000999631894 744805044 /nfs/dbraw/zinc/80/50/44/744805044.db2.gz JKTWRORIJNPURB-DHMWGJHJSA-N 1 1 343.387 0.029 20 30 ECEDMO C=C(Br)C[NH2+]C1CC(N(C)C(=O)Cc2ncn[nH]2)C1 ZINC000999659544 744822264 /nfs/dbraw/zinc/82/22/64/744822264.db2.gz FTUYERAYQLIYGM-UHFFFAOYSA-N 1 1 328.214 0.835 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000977303482 744847679 /nfs/dbraw/zinc/84/76/79/744847679.db2.gz NBCJDIHIYYVLNO-AWEZNQCLSA-N 1 1 346.435 0.029 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001027505227 744848398 /nfs/dbraw/zinc/84/83/98/744848398.db2.gz LZAODVPJKVBLNR-CYBMUJFWSA-N 1 1 341.843 0.647 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001027505227 744848400 /nfs/dbraw/zinc/84/84/00/744848400.db2.gz LZAODVPJKVBLNR-CYBMUJFWSA-N 1 1 341.843 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccncn3)C(C)(C)C2)C1=O ZINC000977372162 744899629 /nfs/dbraw/zinc/89/96/29/744899629.db2.gz RLMAVTOANYYEPS-LSDHHAIUSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccncn3)C(C)(C)C2)C1=O ZINC000977372162 744899631 /nfs/dbraw/zinc/89/96/31/744899631.db2.gz RLMAVTOANYYEPS-LSDHHAIUSA-N 1 1 343.431 0.704 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977385344 744919530 /nfs/dbraw/zinc/91/95/30/744919530.db2.gz GHRGBSAWWRGQIG-GDBMZVCRSA-N 1 1 345.447 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cn[nH]c1 ZINC000977393395 744935119 /nfs/dbraw/zinc/93/51/19/744935119.db2.gz BVYKZUULTVJJRT-CABCVRRESA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cn[nH]c1 ZINC000977393395 744935120 /nfs/dbraw/zinc/93/51/20/744935120.db2.gz BVYKZUULTVJJRT-CABCVRRESA-N 1 1 329.404 0.180 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1 ZINC000999877539 744985986 /nfs/dbraw/zinc/98/59/86/744985986.db2.gz ORZVYMIODHPAQM-AWEZNQCLSA-N 1 1 325.412 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)OC ZINC000983651590 744998321 /nfs/dbraw/zinc/99/83/21/744998321.db2.gz IVBNEGBIEQRCSO-NCOADZHNSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)OC ZINC000983651590 744998324 /nfs/dbraw/zinc/99/83/24/744998324.db2.gz IVBNEGBIEQRCSO-NCOADZHNSA-N 1 1 349.475 0.862 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC000999892776 745022189 /nfs/dbraw/zinc/02/21/89/745022189.db2.gz YZOPBFJQXDRGQV-DOMZBBRYSA-N 1 1 326.400 0.201 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(=O)[nH]n3)nn2)C1 ZINC000999950058 745086934 /nfs/dbraw/zinc/08/69/34/745086934.db2.gz LPPCXHOHGUEWHT-GFCCVEGCSA-N 1 1 329.364 0.137 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C)n3C)nn2)C1 ZINC000999966834 745111798 /nfs/dbraw/zinc/11/17/98/745111798.db2.gz NNVSBSCNKCDTBF-HNNXBMFYSA-N 1 1 326.404 0.735 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001059198508 745116859 /nfs/dbraw/zinc/11/68/59/745116859.db2.gz UQOUGCJPIXVLQO-CQSZACIVSA-N 1 1 340.493 0.940 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CN(C)CCO3)nn2)C1 ZINC000999970261 745117592 /nfs/dbraw/zinc/11/75/92/745117592.db2.gz AYQDVJQEHNDEIR-CVEARBPZSA-N 1 1 348.451 0.048 20 30 ECEDMO N#Cc1ccc(C(=O)NCc2cn([C@@H]3CC[N@@H+](CCF)C3)nn2)[nH]1 ZINC000999977178 745126424 /nfs/dbraw/zinc/12/64/24/745126424.db2.gz ANZYANCBWUFICP-CYBMUJFWSA-N 1 1 331.355 0.624 20 30 ECEDMO N#Cc1ccc(C(=O)NCc2cn([C@@H]3CC[N@H+](CCF)C3)nn2)[nH]1 ZINC000999977178 745126425 /nfs/dbraw/zinc/12/64/25/745126425.db2.gz ANZYANCBWUFICP-CYBMUJFWSA-N 1 1 331.355 0.624 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnn3CC)nn2)C1 ZINC000999981286 745132723 /nfs/dbraw/zinc/13/27/23/745132723.db2.gz RFMSSQMQXHIAAG-OAHLLOKOSA-N 1 1 341.419 0.695 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001028260627 751974614 /nfs/dbraw/zinc/97/46/14/751974614.db2.gz LRTKQHMFGXJBKF-GFCCVEGCSA-N 1 1 330.392 0.578 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnnc(C)c3)nn2)C1 ZINC000999984302 745136721 /nfs/dbraw/zinc/13/67/21/745136721.db2.gz LAFRKGGNKBAHJO-HNNXBMFYSA-N 1 1 325.376 0.187 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnnc(C)c3)nn2)C1 ZINC000999984271 745136949 /nfs/dbraw/zinc/13/69/49/745136949.db2.gz KMPPVKJVQQMTBP-OAHLLOKOSA-N 1 1 327.392 0.739 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3COC(=O)N3)nn2)C1 ZINC000999985085 745137705 /nfs/dbraw/zinc/13/77/05/745137705.db2.gz NBNBIGFQZFYTSW-ZIAGYGMSSA-N 1 1 348.407 0.216 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCOCC3)nn2)C1 ZINC000999987162 745141990 /nfs/dbraw/zinc/14/19/90/745141990.db2.gz VYRWWXRQRIHLNE-NVXWUHKLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)nnc3C)nn2)C1 ZINC000999988360 745144420 /nfs/dbraw/zinc/14/44/20/745144420.db2.gz UFSQSMAZHAVJSC-HNNXBMFYSA-N 1 1 339.403 0.495 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)ncn3C)nn2)C1 ZINC000999989056 745145148 /nfs/dbraw/zinc/14/51/48/745145148.db2.gz BXBJUHYJOARLLC-CQSZACIVSA-N 1 1 327.392 0.130 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)ncn3C)nn2)C1 ZINC000999991361 745148528 /nfs/dbraw/zinc/14/85/28/745148528.db2.gz LPTSMDDNCPPFTH-CQSZACIVSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cn[nH]c(=O)c3)nn2)C1 ZINC000999992011 745149325 /nfs/dbraw/zinc/14/93/25/745149325.db2.gz MYIBNAMBGAIFEJ-ZDUSSCGKSA-N 1 1 329.364 0.137 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000977529878 745150631 /nfs/dbraw/zinc/15/06/31/745150631.db2.gz XJSWZELSTISWGX-HUUCEWRRSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000977529878 745150634 /nfs/dbraw/zinc/15/06/34/745150634.db2.gz XJSWZELSTISWGX-HUUCEWRRSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000977529881 745150742 /nfs/dbraw/zinc/15/07/42/745150742.db2.gz XJSWZELSTISWGX-LSDHHAIUSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000977529881 745150744 /nfs/dbraw/zinc/15/07/44/745150744.db2.gz XJSWZELSTISWGX-LSDHHAIUSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999998331 745158436 /nfs/dbraw/zinc/15/84/36/745158436.db2.gz QWPHVVHFZNCWGI-JKSUJKDBSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999998331 745158438 /nfs/dbraw/zinc/15/84/38/745158438.db2.gz QWPHVVHFZNCWGI-JKSUJKDBSA-N 1 1 332.452 0.811 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccsn3)nn2)C1 ZINC000999999161 745159969 /nfs/dbraw/zinc/15/99/69/745159969.db2.gz XKCVQGIKOHGOPK-CYBMUJFWSA-N 1 1 330.417 0.935 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C4CC4)on3)nn2)C1 ZINC001000003195 745167638 /nfs/dbraw/zinc/16/76/38/745167638.db2.gz WXGZLKLQAINDKN-AWEZNQCLSA-N 1 1 340.387 0.954 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3csc(=O)[nH]3)nn2)C1 ZINC001000018706 745188850 /nfs/dbraw/zinc/18/88/50/745188850.db2.gz ZJYZHNZRLCUBSO-NSHDSACASA-N 1 1 332.389 0.250 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001068464483 790322193 /nfs/dbraw/zinc/32/21/93/790322193.db2.gz NVXAAMHLEGIWCK-YDHLFZDLSA-N 1 1 344.419 0.294 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[C@H]3C(=O)N(C)C)nn2)C1 ZINC001000020142 745190650 /nfs/dbraw/zinc/19/06/50/745190650.db2.gz IYQWLBFBIFRTOQ-QLFBSQMISA-N 1 1 346.435 0.051 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnoc3CC)nn2)C1 ZINC001000025912 745197772 /nfs/dbraw/zinc/19/77/72/745197772.db2.gz RMTJJEXYHZEEBO-CYBMUJFWSA-N 1 1 328.376 0.639 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)C1 ZINC001000027687 745200715 /nfs/dbraw/zinc/20/07/15/745200715.db2.gz ANXVVKGDLPWOFP-JJXSEGSLSA-N 1 1 329.404 0.342 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001000035090 745210523 /nfs/dbraw/zinc/21/05/23/745210523.db2.gz KFWVBQQKACFWGO-CQSZACIVSA-N 1 1 325.376 0.268 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)C1 ZINC001000034570 745210574 /nfs/dbraw/zinc/21/05/74/745210574.db2.gz WUQUVMGNJAJUHX-FPCVCCKLSA-N 1 1 331.420 0.895 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccn(C)c3=O)nn2)C1 ZINC001000035763 745212241 /nfs/dbraw/zinc/21/22/41/745212241.db2.gz LZUBHZQNMZAAIV-CQSZACIVSA-N 1 1 342.403 0.340 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3coc(COC)n3)nn2)C1 ZINC001000035775 745212269 /nfs/dbraw/zinc/21/22/69/745212269.db2.gz MFJNZIWLHCVGSM-ZDUSSCGKSA-N 1 1 346.391 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc4c([nH]3)CCC4)nn2)C1 ZINC001000038251 745216990 /nfs/dbraw/zinc/21/69/90/745216990.db2.gz UVHWTDRDTQYOAI-OAHLLOKOSA-N 1 1 338.415 0.905 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC(=O)N(C)C3)nn2)C1 ZINC001000042450 745222662 /nfs/dbraw/zinc/22/26/62/745222662.db2.gz MBWYOBRFKVDXSF-ZFWWWQNUSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnc(C)n3)nn2)C1 ZINC001000043254 745223014 /nfs/dbraw/zinc/22/30/14/745223014.db2.gz OZNWWKZXAFOSQS-CQSZACIVSA-N 1 1 325.376 0.187 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]cnc3CC)nn2)C1 ZINC001000046820 745227832 /nfs/dbraw/zinc/22/78/32/745227832.db2.gz VXNZHTHXMMTJHY-CQSZACIVSA-N 1 1 341.419 0.764 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000977586607 745247335 /nfs/dbraw/zinc/24/73/35/745247335.db2.gz WJDJXTBQNTXYFR-IUODEOHRSA-N 1 1 329.404 0.511 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)c1 ZINC001000136229 745285985 /nfs/dbraw/zinc/28/59/85/745285985.db2.gz IMGDOXFDIICYNX-WFASDCNBSA-N 1 1 339.403 0.542 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C(C)(C)C1 ZINC000977635185 745295792 /nfs/dbraw/zinc/29/57/92/745295792.db2.gz ZFUXRXFJARQRML-HUUCEWRRSA-N 1 1 329.448 0.999 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C(C)C)C2)nn1 ZINC001020699994 751989732 /nfs/dbraw/zinc/98/97/32/751989732.db2.gz CXDACOSIVOFBOV-HAQNSBGRSA-N 1 1 345.411 0.082 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001075785266 745395034 /nfs/dbraw/zinc/39/50/34/745395034.db2.gz XIDOSXRGPDBVQD-OFQRWUPVSA-N 1 1 343.431 0.871 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nonc3C)C2)nn1 ZINC001000401156 745476965 /nfs/dbraw/zinc/47/69/65/745476965.db2.gz CMRQDMOYHVAWRS-LBPRGKRZSA-N 1 1 331.380 0.550 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3cnn(CC)n3)C2)nn1 ZINC001000407006 745479674 /nfs/dbraw/zinc/47/96/74/745479674.db2.gz ZAVFOGUWNISYRQ-ZDUSSCGKSA-N 1 1 344.423 0.470 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3cn(C)nn3)C2)nn1 ZINC001000431085 745493566 /nfs/dbraw/zinc/49/35/66/745493566.db2.gz XHZMRWUPBMRGPI-ZDUSSCGKSA-N 1 1 344.423 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccncc2Cl)C1 ZINC001000466926 745522609 /nfs/dbraw/zinc/52/26/09/745522609.db2.gz DYTYDOZBKRIDSJ-HNNXBMFYSA-N 1 1 346.818 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccncc2Cl)C1 ZINC001000466926 745522613 /nfs/dbraw/zinc/52/26/13/745522613.db2.gz DYTYDOZBKRIDSJ-HNNXBMFYSA-N 1 1 346.818 0.773 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@@H+](CCn3cncn3)CC2)c1 ZINC001000562106 745597124 /nfs/dbraw/zinc/59/71/24/745597124.db2.gz IKKPXRSUTUOSEU-UHFFFAOYSA-N 1 1 325.376 0.540 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001028269939 752020580 /nfs/dbraw/zinc/02/05/80/752020580.db2.gz BYTWCBFWXLHSCL-UKRRQHHQSA-N 1 1 342.399 0.176 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001028269939 752020587 /nfs/dbraw/zinc/02/05/87/752020587.db2.gz BYTWCBFWXLHSCL-UKRRQHHQSA-N 1 1 342.399 0.176 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cccnn1 ZINC000977919252 745646889 /nfs/dbraw/zinc/64/68/89/745646889.db2.gz MOLXDFCVQCYITF-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cccnn1 ZINC000977919252 745646890 /nfs/dbraw/zinc/64/68/90/745646890.db2.gz MOLXDFCVQCYITF-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1cnoc1 ZINC000977920821 745649897 /nfs/dbraw/zinc/64/98/97/745649897.db2.gz QMOJBIXEAOUKPL-HOTGVXAUSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1cnoc1 ZINC000977920821 745649899 /nfs/dbraw/zinc/64/98/99/745649899.db2.gz QMOJBIXEAOUKPL-HOTGVXAUSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1ccc[nH]1 ZINC000977922719 745652731 /nfs/dbraw/zinc/65/27/31/745652731.db2.gz YEPBYOXDSSGNKL-SJORKVTESA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1ccc[nH]1 ZINC000977922719 745652733 /nfs/dbraw/zinc/65/27/33/745652733.db2.gz YEPBYOXDSSGNKL-SJORKVTESA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1=CCOCC1 ZINC000977925042 745678757 /nfs/dbraw/zinc/67/87/57/745678757.db2.gz GOQIEXOOOJKDCR-SJORKVTESA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1=CCOCC1 ZINC000977925042 745678762 /nfs/dbraw/zinc/67/87/62/745678762.db2.gz GOQIEXOOOJKDCR-SJORKVTESA-N 1 1 345.443 0.490 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnc(C)[nH]4)[C@@H]3C2)C1=O ZINC000977929160 745684801 /nfs/dbraw/zinc/68/48/01/745684801.db2.gz HZTSCURYASYACT-HGTKMLMNSA-N 1 1 343.431 0.413 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cscn1 ZINC000977929328 745684868 /nfs/dbraw/zinc/68/48/68/745684868.db2.gz QAVHDZDBEFSJTE-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cscn1 ZINC000977929328 745684871 /nfs/dbraw/zinc/68/48/71/745684871.db2.gz QAVHDZDBEFSJTE-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C#N)nc1 ZINC001126523632 745728664 /nfs/dbraw/zinc/72/86/64/745728664.db2.gz NDWGGDAOHLNRGP-RHSMWYFYSA-N 1 1 345.447 0.720 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001000747601 745739886 /nfs/dbraw/zinc/73/98/86/745739886.db2.gz MHUSDDGTSXFNPV-INIZCTEOSA-N 1 1 335.448 0.806 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC001000837594 745815798 /nfs/dbraw/zinc/81/57/98/745815798.db2.gz NTTRHHNEGXDNQK-OLZOCXBDSA-N 1 1 332.322 0.714 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000984097912 745818658 /nfs/dbraw/zinc/81/86/58/745818658.db2.gz XWVZSPWSPZCMNQ-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)NC2CC2)nc1 ZINC001028271697 752039043 /nfs/dbraw/zinc/03/90/43/752039043.db2.gz MHQGVNHTTCTTHK-CJNGLKHVSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2CC2)nc1 ZINC001028271697 752039045 /nfs/dbraw/zinc/03/90/45/752039045.db2.gz MHQGVNHTTCTTHK-CJNGLKHVSA-N 1 1 340.427 0.924 20 30 ECEDMO C=C(Br)CN1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001007004048 752041400 /nfs/dbraw/zinc/04/14/00/752041400.db2.gz UDKXWMMCSCYRBU-QWHCGFSZSA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(Br)CN1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001007004048 752041406 /nfs/dbraw/zinc/04/14/06/752041406.db2.gz UDKXWMMCSCYRBU-QWHCGFSZSA-N 1 1 346.269 0.806 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)cn3)[C@H]2CC)C1=O ZINC001087541470 745892265 /nfs/dbraw/zinc/89/22/65/745892265.db2.gz RVKHJPNWLSDTSQ-IMJJTQAJSA-N 1 1 345.447 0.790 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001027585958 745894784 /nfs/dbraw/zinc/89/47/84/745894784.db2.gz TWALRVRRAHIXLP-BMFZPTHFSA-N 1 1 333.436 0.829 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001027585958 745894788 /nfs/dbraw/zinc/89/47/88/745894788.db2.gz TWALRVRRAHIXLP-BMFZPTHFSA-N 1 1 333.436 0.829 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2CCC[N@H+]2C)nc1 ZINC000978094498 745910500 /nfs/dbraw/zinc/91/05/00/745910500.db2.gz BSDSTUGWGYFBMG-DOTOQJQBSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCCC2=O)nc1 ZINC001028272748 752049200 /nfs/dbraw/zinc/04/92/00/752049200.db2.gz XOQRIBPKGYBWJS-INIZCTEOSA-N 1 1 340.427 0.880 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000978166211 745978786 /nfs/dbraw/zinc/97/87/86/745978786.db2.gz KQHIEVDTTZUUQD-MTSZKFMLSA-N 1 1 345.447 0.553 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn(C)n3)[C@@H]2C1 ZINC000978169478 746003669 /nfs/dbraw/zinc/00/36/69/746003669.db2.gz IKURWOQNLDAZSC-RTCCRHLQSA-N 1 1 340.225 0.631 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC001001146191 746112641 /nfs/dbraw/zinc/11/26/41/746112641.db2.gz XSUFVLYCNKDWDJ-CVEARBPZSA-N 1 1 335.448 0.947 20 30 ECEDMO C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001105396671 746115768 /nfs/dbraw/zinc/11/57/68/746115768.db2.gz SBCPLRNYRJMQHK-MRXNPFEDSA-N 1 1 332.448 0.771 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000978271533 746121251 /nfs/dbraw/zinc/12/12/51/746121251.db2.gz MMYJTGIIRIKCNV-PHZGNYQRSA-N 1 1 340.431 0.873 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cnnn3C)C2)nn1 ZINC001027606614 746133202 /nfs/dbraw/zinc/13/32/02/746133202.db2.gz JNSVNNQXONGNCN-ZDUSSCGKSA-N 1 1 344.423 0.329 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cnnn3C)C2)nn1 ZINC001027606614 746133205 /nfs/dbraw/zinc/13/32/05/746133205.db2.gz JNSVNNQXONGNCN-ZDUSSCGKSA-N 1 1 344.423 0.329 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001001183442 746145675 /nfs/dbraw/zinc/14/56/75/746145675.db2.gz WPQZFCPYTBMRJQ-HNNXBMFYSA-N 1 1 328.420 0.397 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1CC ZINC001087658917 746162706 /nfs/dbraw/zinc/16/27/06/746162706.db2.gz CMTMIYZXUBKYKF-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1CC ZINC001087658897 746162853 /nfs/dbraw/zinc/16/28/53/746162853.db2.gz BFTYPTNYYXJUEH-LSDHHAIUSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)OCC(=O)N4)[C@@H]2C1 ZINC000978298838 746169556 /nfs/dbraw/zinc/16/95/56/746169556.db2.gz LGVYDKFJFHPHNC-ZSOGYDGISA-N 1 1 325.368 0.558 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)[C@H]1CC ZINC001087673148 746170437 /nfs/dbraw/zinc/17/04/37/746170437.db2.gz XZOSOQVRLFZOCG-MJBXVCDLSA-N 1 1 329.391 0.555 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(F)nc2)C1 ZINC001001226164 746184675 /nfs/dbraw/zinc/18/46/75/746184675.db2.gz KQFBCFMFGRQDNG-HNNXBMFYSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(F)nc2)C1 ZINC001001226164 746184679 /nfs/dbraw/zinc/18/46/79/746184679.db2.gz KQFBCFMFGRQDNG-HNNXBMFYSA-N 1 1 344.390 0.507 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3nc(C)c[nH]3)CC2)C1=O ZINC001001247031 746205396 /nfs/dbraw/zinc/20/53/96/746205396.db2.gz FEXDEHZZLJTXOU-HNNXBMFYSA-N 1 1 343.431 0.867 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2csc(-c3nc[nH]n3)n2)CC1 ZINC001001254615 746212929 /nfs/dbraw/zinc/21/29/29/746212929.db2.gz OPPGORNMMRAMQF-UHFFFAOYSA-N 1 1 328.401 0.923 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4c(n3)C[C@H](OC)CC4)[C@@H]2C1 ZINC000978335069 746216961 /nfs/dbraw/zinc/21/69/61/746216961.db2.gz KWAAGMSTJWDXAN-TUVASFSCSA-N 1 1 328.416 0.385 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cn[nH]n4)[C@@H]3C2)c1 ZINC000978394774 746275311 /nfs/dbraw/zinc/27/53/11/746275311.db2.gz PSAYZOMXMSEYCO-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC001001360028 746307322 /nfs/dbraw/zinc/30/73/22/746307322.db2.gz OOHPVUDFESRHCF-OAHLLOKOSA-N 1 1 329.404 0.625 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)c3C(F)(F)F)[C@@H]2C1 ZINC000978430415 746314321 /nfs/dbraw/zinc/31/43/21/746314321.db2.gz SMXURRJFRAHQOG-WLLOZRIZSA-N 1 1 326.322 0.980 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN(C(N)=O)C3)[C@@H]2C1 ZINC000978436252 746319284 /nfs/dbraw/zinc/31/92/84/746319284.db2.gz NGGSLAARTMKFMZ-SYQHCUMBSA-N 1 1 340.855 0.824 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1CC ZINC001087786386 746332214 /nfs/dbraw/zinc/33/22/14/746332214.db2.gz ZMMXHLCJIIAERA-UONOGXRCSA-N 1 1 336.436 0.864 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nc(C)nn4C3)[C@@H]2C1 ZINC000978520853 746382644 /nfs/dbraw/zinc/38/26/44/746382644.db2.gz IWOPNYJJZOSDOP-YHUYYLMFSA-N 1 1 327.432 0.466 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC000978514889 746390730 /nfs/dbraw/zinc/39/07/30/746390730.db2.gz AQFMBKGOEYPXCZ-FQUUOJAGSA-N 1 1 349.822 0.412 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC000982387603 752087781 /nfs/dbraw/zinc/08/77/81/752087781.db2.gz XFAVUCRCMZEQLP-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC000982387603 752087792 /nfs/dbraw/zinc/08/77/92/752087792.db2.gz XFAVUCRCMZEQLP-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3CC3CCC3)[C@@H]2C1 ZINC000978527074 746406498 /nfs/dbraw/zinc/40/64/98/746406498.db2.gz PUHVVAJICGTTDQ-AKHDSKFASA-N 1 1 345.487 0.805 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1 ZINC000978530684 746410839 /nfs/dbraw/zinc/41/08/39/746410839.db2.gz AUIOXRKHFRJORQ-ZSOGYDGISA-N 1 1 339.399 0.262 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc(C)n(-c4nc[nH]n4)n3)[C@@H]2C1 ZINC000978544060 746428776 /nfs/dbraw/zinc/42/87/76/746428776.db2.gz XYGUXXDLVKFZPV-XYYAHUGASA-N 1 1 342.407 0.178 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1CC ZINC001087833212 746445460 /nfs/dbraw/zinc/44/54/60/746445460.db2.gz QFHSZXSWCCHSOU-BFHYXJOUSA-N 1 1 329.466 0.613 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3C3CCCC3)[C@@H]2C1 ZINC000978628598 746500875 /nfs/dbraw/zinc/50/08/75/746500875.db2.gz OTZAERHJKKVFNN-FJIDUMEYSA-N 1 1 331.460 0.557 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001027646964 746500912 /nfs/dbraw/zinc/50/09/12/746500912.db2.gz BRJDEDQWAATUFP-LBPRGKRZSA-N 1 1 330.392 0.530 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccnc4c3nnn4C)[C@@H]2C1 ZINC000978651357 746524701 /nfs/dbraw/zinc/52/47/01/746524701.db2.gz ISVVWQVWBYCVBB-ZSOGYDGISA-N 1 1 326.404 0.847 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(=O)cn4)[C@@H]3C2)c1 ZINC000978657156 746545740 /nfs/dbraw/zinc/54/57/40/746545740.db2.gz PERPHYWTGBIGTG-PHZGNYQRSA-N 1 1 349.394 0.749 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000978669212 746563399 /nfs/dbraw/zinc/56/33/99/746563399.db2.gz SCPLEEIMQYBDOI-HLLBOEOZSA-N 1 1 340.427 0.782 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)c1 ZINC000978672341 746567584 /nfs/dbraw/zinc/56/75/84/746567584.db2.gz KMTASJVVUAIPRF-JONQDZQNSA-N 1 1 339.399 0.034 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000978673037 746568761 /nfs/dbraw/zinc/56/87/61/746568761.db2.gz MXGYOLDEGOYNRE-NXOAAHMSSA-N 1 1 338.411 0.014 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041986476 782553010 /nfs/dbraw/zinc/55/30/10/782553010.db2.gz QXYOUGGDFJKXPO-BLLLJJGKSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041986476 782553016 /nfs/dbraw/zinc/55/30/16/782553016.db2.gz QXYOUGGDFJKXPO-BLLLJJGKSA-N 1 1 344.390 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cocn1)C2 ZINC001001658796 746576492 /nfs/dbraw/zinc/57/64/92/746576492.db2.gz KKVJSJUVZOHHLX-VDERGJSUSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cocn1)C2 ZINC001001658796 746576496 /nfs/dbraw/zinc/57/64/96/746576496.db2.gz KKVJSJUVZOHHLX-VDERGJSUSA-N 1 1 342.399 0.634 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)nc1 ZINC001027656668 746599883 /nfs/dbraw/zinc/59/98/83/746599883.db2.gz WRAOEWZYEGROBV-HOCLYGCPSA-N 1 1 328.416 0.863 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC000984552854 746610692 /nfs/dbraw/zinc/61/06/92/746610692.db2.gz LUHRRUJWQYZSAQ-ZFWWWQNUSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC000984552854 746610697 /nfs/dbraw/zinc/61/06/97/746610697.db2.gz LUHRRUJWQYZSAQ-ZFWWWQNUSA-N 1 1 345.403 0.230 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)s1 ZINC000978738287 746633808 /nfs/dbraw/zinc/63/38/08/746633808.db2.gz BWSVEKMILAQPPA-KHMAMNHCSA-N 1 1 344.440 0.535 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978736258 746651300 /nfs/dbraw/zinc/65/13/00/746651300.db2.gz UUEZWWRYXUOODH-CAVOSLQRSA-N 1 1 343.431 0.709 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)cc1 ZINC001087915615 746654647 /nfs/dbraw/zinc/65/46/47/746654647.db2.gz UJLLHBXLWMYSIE-CVEARBPZSA-N 1 1 326.400 0.714 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@H]32)s1 ZINC001041986814 782553068 /nfs/dbraw/zinc/55/30/68/782553068.db2.gz TUNQXJURQDQKMY-BXUZGUMPSA-N 1 1 332.429 0.918 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)c1 ZINC001087924937 746670702 /nfs/dbraw/zinc/67/07/02/746670702.db2.gz PMZBDGAPUDNBIP-CABCVRRESA-N 1 1 339.403 0.572 20 30 ECEDMO CO[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1NC(=O)CSCC#N ZINC001211886280 746702572 /nfs/dbraw/zinc/70/25/72/746702572.db2.gz HONDFTBCMCLVSS-MGPQQGTHSA-N 1 1 327.450 0.628 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001087962123 746747520 /nfs/dbraw/zinc/74/75/20/746747520.db2.gz YSNLNXAQWBYXBJ-SJORKVTESA-N 1 1 329.444 0.803 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000978828500 746757044 /nfs/dbraw/zinc/75/70/44/746757044.db2.gz ABFFDONQJBDAIB-MELADBBJSA-N 1 1 346.435 0.040 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105340659 746757705 /nfs/dbraw/zinc/75/77/05/746757705.db2.gz JORBYVOLNKNTOQ-HOTGVXAUSA-N 1 1 349.435 0.115 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c(C#N)cn1 ZINC001059414417 746762316 /nfs/dbraw/zinc/76/23/16/746762316.db2.gz JECVHPLOWDMJTO-VCOSZWKGSA-N 1 1 327.432 0.940 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007151895 752130999 /nfs/dbraw/zinc/13/09/99/752130999.db2.gz LIPBSUUYKOLSOT-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007151895 752131004 /nfs/dbraw/zinc/13/10/04/752131004.db2.gz LIPBSUUYKOLSOT-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2nonc2C)C1 ZINC000978952562 746945760 /nfs/dbraw/zinc/94/57/60/746945760.db2.gz JIEXITPCGMRNAT-MJBXVCDLSA-N 1 1 345.403 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2nonc2C)C1 ZINC000978952562 746945767 /nfs/dbraw/zinc/94/57/67/746945767.db2.gz JIEXITPCGMRNAT-MJBXVCDLSA-N 1 1 345.403 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2ccco2)C1 ZINC000978954742 746950936 /nfs/dbraw/zinc/95/09/36/746950936.db2.gz XRUGTDNATWZGNB-UXLLHSPISA-N 1 1 343.427 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2ccco2)C1 ZINC000978954742 746950938 /nfs/dbraw/zinc/95/09/38/746950938.db2.gz XRUGTDNATWZGNB-UXLLHSPISA-N 1 1 343.427 0.931 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@@H]2C1 ZINC001087994279 746957575 /nfs/dbraw/zinc/95/75/75/746957575.db2.gz ZWQGDKYLHAYWLK-FGTMMUONSA-N 1 1 343.475 0.617 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c([nH]c3=O)CCOC4)[C@@H]2C1 ZINC000978963724 746963940 /nfs/dbraw/zinc/96/39/40/746963940.db2.gz QUQRIJCTWBDWKI-PHZGNYQRSA-N 1 1 341.411 0.791 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cncn4C)C[C@H]32)nc1 ZINC000978995068 747009512 /nfs/dbraw/zinc/00/95/12/747009512.db2.gz UEAONJNTUJNJQS-OSYLJGHBSA-N 1 1 335.411 0.904 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)C1 ZINC001002142109 747021993 /nfs/dbraw/zinc/02/19/93/747021993.db2.gz AIDGOTRXQVDHES-MPESAESLSA-N 1 1 341.415 0.700 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 ZINC001088017580 747069644 /nfs/dbraw/zinc/06/96/44/747069644.db2.gz HWBPCEFLOUPTQK-CVEARBPZSA-N 1 1 334.464 0.117 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c[nH]1 ZINC001007164846 752147489 /nfs/dbraw/zinc/14/74/89/752147489.db2.gz POHIVPKYXIPJOF-HIFRSBDPSA-N 1 1 339.403 0.860 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnco2)C1 ZINC000979060364 747105497 /nfs/dbraw/zinc/10/54/97/747105497.db2.gz WJEOILYCSIXELP-MJBXVCDLSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnco2)C1 ZINC000979060364 747105501 /nfs/dbraw/zinc/10/55/01/747105501.db2.gz WJEOILYCSIXELP-MJBXVCDLSA-N 1 1 330.388 0.397 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001088032403 747114397 /nfs/dbraw/zinc/11/43/97/747114397.db2.gz NFNQNEBKMKXMCU-CABCVRRESA-N 1 1 331.416 0.329 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4c(c3)nnn4C)C[C@@H]2C1 ZINC001088042835 747132958 /nfs/dbraw/zinc/13/29/58/747132958.db2.gz KUHUGXPKAMHTFJ-OCCSQVGLSA-N 1 1 326.404 0.943 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1NC(=O)CSCC#N ZINC001211888917 747133978 /nfs/dbraw/zinc/13/39/78/747133978.db2.gz ULWZXCSVYITOLO-HUUCEWRRSA-N 1 1 334.445 0.962 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1NC(=O)CSCC#N ZINC001211888917 747133984 /nfs/dbraw/zinc/13/39/84/747133984.db2.gz ULWZXCSVYITOLO-HUUCEWRRSA-N 1 1 334.445 0.962 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCNC1=O ZINC001029512491 747207476 /nfs/dbraw/zinc/20/74/76/747207476.db2.gz ZKUKBQNTYXDKAH-QEOTZNIISA-N 1 1 347.459 0.921 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccc(=O)[nH]n2)C1=O ZINC001027737002 747268876 /nfs/dbraw/zinc/26/88/76/747268876.db2.gz JAQRVLICNPRJHU-GXTWGEPZSA-N 1 1 345.403 0.163 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@@H]2C1 ZINC001088082685 747284674 /nfs/dbraw/zinc/28/46/74/747284674.db2.gz FXUNRTBKEBYPRF-OAGGEKHMSA-N 1 1 341.459 0.724 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001002453652 747366291 /nfs/dbraw/zinc/36/62/91/747366291.db2.gz ZRVHFWMNUYRXGO-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1ncc[nH]1 ZINC001002473783 747402707 /nfs/dbraw/zinc/40/27/07/747402707.db2.gz QJXUFQWVDZYKQK-CABCVRRESA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1ncc[nH]1 ZINC001002473783 747402708 /nfs/dbraw/zinc/40/27/08/747402708.db2.gz QJXUFQWVDZYKQK-CABCVRRESA-N 1 1 343.431 0.570 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN3CCCC3)C2)C1=O ZINC000985123785 747410686 /nfs/dbraw/zinc/41/06/86/747410686.db2.gz QTWPARNESKYUKL-JYJNAYRXSA-N 1 1 334.464 0.354 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)c(C)n2)C1 ZINC001105409264 747417234 /nfs/dbraw/zinc/41/72/34/747417234.db2.gz AXCWHJLMJWNLAR-INIZCTEOSA-N 1 1 345.447 0.877 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)c(C)n2)C1 ZINC001105409264 747417241 /nfs/dbraw/zinc/41/72/41/747417241.db2.gz AXCWHJLMJWNLAR-INIZCTEOSA-N 1 1 345.447 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]2C1 ZINC001088122449 747439375 /nfs/dbraw/zinc/43/93/75/747439375.db2.gz BSACKAHNQNBGNC-RDBSUJKOSA-N 1 1 334.420 0.331 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H](C)OC)CC[C@@H]3C2)nn1 ZINC001088133163 747460191 /nfs/dbraw/zinc/46/01/91/747460191.db2.gz UNMSZBLZXBSSFR-KFWWJZLASA-N 1 1 333.436 0.893 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](CCOC)CC[C@@H]3C2)nn1 ZINC001088135304 747467001 /nfs/dbraw/zinc/46/70/01/747467001.db2.gz FHTWLDVSKFZWJM-CABCVRRESA-N 1 1 333.436 0.895 20 30 ECEDMO C[C@H]([NH2+]Cc1nncn1C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979292277 747525907 /nfs/dbraw/zinc/52/59/07/747525907.db2.gz LEWSIRTWAGZHSP-SMDDNHRTSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979283750 747531275 /nfs/dbraw/zinc/53/12/75/747531275.db2.gz ABFVWXMQFHQUMO-IAQYHMDHSA-N 1 1 343.391 0.034 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(C#N)nn2)C1 ZINC001059498681 747537917 /nfs/dbraw/zinc/53/79/17/747537917.db2.gz QSELFUBSPPETPD-WWTUQBGBSA-N 1 1 340.431 0.916 20 30 ECEDMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979286679 747538610 /nfs/dbraw/zinc/53/86/10/747538610.db2.gz CQLPKLCFALTLOW-IAQYHMDHSA-N 1 1 343.391 0.034 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001007212386 752194764 /nfs/dbraw/zinc/19/47/64/752194764.db2.gz ATDZOKJQXHJECR-HZPDHXFCSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001007212386 752194767 /nfs/dbraw/zinc/19/47/67/752194767.db2.gz ATDZOKJQXHJECR-HZPDHXFCSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cnn(C)c3)CC2)C1=O ZINC000985255949 747598746 /nfs/dbraw/zinc/59/87/46/747598746.db2.gz GRMUBRPEHYENPA-MRXNPFEDSA-N 1 1 345.447 0.743 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]Cc3nnnn3C)C2)CC1 ZINC000979367462 747713466 /nfs/dbraw/zinc/71/34/66/747713466.db2.gz GATHTTFEZFAMQD-HIFRSBDPSA-N 1 1 348.451 0.662 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@@H]2C1 ZINC001088206069 747738704 /nfs/dbraw/zinc/73/87/04/747738704.db2.gz BVFLADXIVXVNKB-IKGGRYGDSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C3=COCCO3)CC2)C1 ZINC001088225753 747772876 /nfs/dbraw/zinc/77/28/76/747772876.db2.gz VZVRWHNEYROLDT-MRXNPFEDSA-N 1 1 334.416 0.837 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001088229910 747780852 /nfs/dbraw/zinc/78/08/52/747780852.db2.gz COQFOMWVFDMAES-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 ZINC001088231290 747790886 /nfs/dbraw/zinc/79/08/86/747790886.db2.gz NPUXFOLSGATDSJ-RDJZCZTQSA-N 1 1 345.447 0.802 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 ZINC001088231291 747790950 /nfs/dbraw/zinc/79/09/50/747790950.db2.gz NPUXFOLSGATDSJ-WBVHZDCISA-N 1 1 345.447 0.802 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC(CO[C@H]3CC[N@H+](CCO)C3)CC2)[nH]1 ZINC001088231620 747792021 /nfs/dbraw/zinc/79/20/21/747792021.db2.gz WEHVZNANBJJRAW-INIZCTEOSA-N 1 1 346.431 0.822 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)c2cncc(C#N)n2)C1 ZINC001112181808 747795573 /nfs/dbraw/zinc/79/55/73/747795573.db2.gz ZDACBTZDWVWHJU-AWEZNQCLSA-N 1 1 330.436 0.975 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC001088233673 747796183 /nfs/dbraw/zinc/79/61/83/747796183.db2.gz WYBYFVIFWZHSIG-IRXDYDNUSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001088233586 747799405 /nfs/dbraw/zinc/79/94/05/747799405.db2.gz UUANDYRWMISPAX-OAHLLOKOSA-N 1 1 331.420 0.391 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001088234071 747801373 /nfs/dbraw/zinc/80/13/73/747801373.db2.gz IBJVITOQBXSUOE-INIZCTEOSA-N 1 1 346.435 0.026 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)[nH]c2C)C1 ZINC001002834048 747854206 /nfs/dbraw/zinc/85/42/06/747854206.db2.gz BTVSFCXEUCLSBD-KRWDZBQOSA-N 1 1 342.443 0.917 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)[nH]c2C)C1 ZINC001002834048 747854212 /nfs/dbraw/zinc/85/42/12/747854212.db2.gz BTVSFCXEUCLSBD-KRWDZBQOSA-N 1 1 342.443 0.917 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CCCOC2)C1 ZINC001002836315 747858593 /nfs/dbraw/zinc/85/85/93/747858593.db2.gz UZDGVSKBFDIUMO-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CCCOC2)C1 ZINC001002836315 747858601 /nfs/dbraw/zinc/85/86/01/747858601.db2.gz UZDGVSKBFDIUMO-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000988501943 752220351 /nfs/dbraw/zinc/22/03/51/752220351.db2.gz OLZBDRIOSVLSAL-AAEUAGOBSA-N 1 1 345.382 0.840 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001027805199 747920339 /nfs/dbraw/zinc/92/03/39/747920339.db2.gz PCVBHISHWWKYDO-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001088239670 747931377 /nfs/dbraw/zinc/93/13/77/747931377.db2.gz CQGRRQMQACXZMA-MRXNPFEDSA-N 1 1 333.436 0.794 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3ncn(C)n3)CC2)C1=O ZINC000985419454 747950326 /nfs/dbraw/zinc/95/03/26/747950326.db2.gz ZCUZRJSATABWOI-CQSZACIVSA-N 1 1 346.435 0.138 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCNC2=O)c1 ZINC001027812774 747959616 /nfs/dbraw/zinc/95/96/16/747959616.db2.gz ITTMEBUSDRRHBW-ZDUSSCGKSA-N 1 1 330.392 0.106 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3cnn(C)c3)C2)C1=O ZINC001029643420 747965831 /nfs/dbraw/zinc/96/58/31/747965831.db2.gz RCGAPGMUSKRMBV-GOEBONIOSA-N 1 1 345.447 0.601 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001007258379 752229868 /nfs/dbraw/zinc/22/98/68/752229868.db2.gz IXHSENMIQIYIIZ-LSDHHAIUSA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001007258379 752229875 /nfs/dbraw/zinc/22/98/75/752229875.db2.gz IXHSENMIQIYIIZ-LSDHHAIUSA-N 1 1 328.372 0.747 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3c[nH]c(C)n3)C2)C1=O ZINC001029674645 748032876 /nfs/dbraw/zinc/03/28/76/748032876.db2.gz HXSUKBNWSAFRPV-GDBMZVCRSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001029674645 748032882 /nfs/dbraw/zinc/03/28/82/748032882.db2.gz HXSUKBNWSAFRPV-GDBMZVCRSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001029674645 748032890 /nfs/dbraw/zinc/03/28/90/748032890.db2.gz HXSUKBNWSAFRPV-GDBMZVCRSA-N 1 1 345.447 0.899 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001029676435 748038623 /nfs/dbraw/zinc/03/86/23/748038623.db2.gz AZMNZNXJZQYPKS-QWHCGFSZSA-N 1 1 342.403 0.463 20 30 ECEDMO COCCc1noc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001029679638 748045434 /nfs/dbraw/zinc/04/54/34/748045434.db2.gz OODHFPMWIWMGQH-STQMWFEESA-N 1 1 335.408 0.698 20 30 ECEDMO COCCc1noc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001029679638 748045441 /nfs/dbraw/zinc/04/54/41/748045441.db2.gz OODHFPMWIWMGQH-STQMWFEESA-N 1 1 335.408 0.698 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1=O ZINC001029685825 748061087 /nfs/dbraw/zinc/06/10/87/748061087.db2.gz CSOCJUSEFAORAV-GDBMZVCRSA-N 1 1 345.447 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001029685825 748061091 /nfs/dbraw/zinc/06/10/91/748061091.db2.gz CSOCJUSEFAORAV-GDBMZVCRSA-N 1 1 345.447 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001029685825 748061098 /nfs/dbraw/zinc/06/10/98/748061098.db2.gz CSOCJUSEFAORAV-GDBMZVCRSA-N 1 1 345.447 0.519 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000979578150 748072007 /nfs/dbraw/zinc/07/20/07/748072007.db2.gz FREIVHXVQAXHQX-SUJAAXHWSA-N 1 1 335.448 0.683 20 30 ECEDMO CN1CCC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001029707634 748108897 /nfs/dbraw/zinc/10/88/97/748108897.db2.gz CNHKBBNUQZKPSF-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001029708405 748113586 /nfs/dbraw/zinc/11/35/86/748113586.db2.gz QIBKHBKMSPHKRZ-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979610209 748117839 /nfs/dbraw/zinc/11/78/39/748117839.db2.gz ADRBMLPRYSJCTC-NOLJZWGESA-N 1 1 343.431 0.995 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001059555175 748320141 /nfs/dbraw/zinc/32/01/41/748320141.db2.gz OAFHURIEUXJUGV-YJBOKZPZSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000979786452 748389904 /nfs/dbraw/zinc/38/99/04/748389904.db2.gz YEYCAVRGFPNUSD-YDHLFZDLSA-N 1 1 346.435 0.183 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cccn2)c[nH]1 ZINC001027836778 748405685 /nfs/dbraw/zinc/40/56/85/748405685.db2.gz YCHCFTBDOFOXPZ-HZPDHXFCSA-N 1 1 342.403 0.338 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001003318545 748424459 /nfs/dbraw/zinc/42/44/59/748424459.db2.gz KPZFBSJANLMTBO-UHFFFAOYSA-N 1 1 349.884 0.745 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCC2CC2)[C@H](OC)C1 ZINC001211988846 752275963 /nfs/dbraw/zinc/27/59/63/752275963.db2.gz LAVQILCIBVRFTN-NUEKZKHPSA-N 1 1 326.437 0.820 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 ZINC000979822099 748508462 /nfs/dbraw/zinc/50/84/62/748508462.db2.gz ZSTIJSNEFMQNRW-IXDOHACOSA-N 1 1 340.427 0.958 20 30 ECEDMO CN1C[C@H](C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)NC1=O ZINC001003437309 748556759 /nfs/dbraw/zinc/55/67/59/748556759.db2.gz QKFBRQXQFFTAOY-MRXNPFEDSA-N 1 1 341.415 0.662 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1 ZINC001003469987 748587093 /nfs/dbraw/zinc/58/70/93/748587093.db2.gz MQDMXJDHRLCGFA-QGZVFWFLSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059587141 748617929 /nfs/dbraw/zinc/61/79/29/748617929.db2.gz IJLUYSCCVWGHRC-SCRDCRAPSA-N 1 1 333.367 0.482 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059587141 748617931 /nfs/dbraw/zinc/61/79/31/748617931.db2.gz IJLUYSCCVWGHRC-SCRDCRAPSA-N 1 1 333.367 0.482 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1OC ZINC001211992060 752295369 /nfs/dbraw/zinc/29/53/69/752295369.db2.gz BJBQNGNJKWTZTO-BZUAXINKSA-N 1 1 344.452 0.446 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC ZINC001211992060 752295373 /nfs/dbraw/zinc/29/53/73/752295373.db2.gz BJBQNGNJKWTZTO-BZUAXINKSA-N 1 1 344.452 0.446 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985607729 748739187 /nfs/dbraw/zinc/73/91/87/748739187.db2.gz IJCDCNWJOZEKBE-AWEZNQCLSA-N 1 1 347.444 0.724 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccns2)C1 ZINC000979966711 748758407 /nfs/dbraw/zinc/75/84/07/748758407.db2.gz DFIMAXVHTBHIAY-IHRRRGAJSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccns2)C1 ZINC000979966711 748758413 /nfs/dbraw/zinc/75/84/13/748758413.db2.gz DFIMAXVHTBHIAY-IHRRRGAJSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000979969166 748762973 /nfs/dbraw/zinc/76/29/73/748762973.db2.gz XMXJNVCCHBJZBZ-VQHPVUNQSA-N 1 1 346.475 0.189 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nc(OC)cc(OC)n3)C[C@@H]2C1 ZINC000979985550 748780113 /nfs/dbraw/zinc/78/01/13/748780113.db2.gz KLKCFPXMNVLGLI-MJBXVCDLSA-N 1 1 344.415 0.957 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)s1 ZINC001027861183 748798646 /nfs/dbraw/zinc/79/86/46/748798646.db2.gz RUGIIMWDUOVBPN-ZWNOBZJWSA-N 1 1 334.401 0.809 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)s1 ZINC001027861183 748798651 /nfs/dbraw/zinc/79/86/51/748798651.db2.gz RUGIIMWDUOVBPN-ZWNOBZJWSA-N 1 1 334.401 0.809 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000980020046 748834238 /nfs/dbraw/zinc/83/42/38/748834238.db2.gz DNVPNBRGJZZMTP-NOLJZWGESA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000985681470 748861613 /nfs/dbraw/zinc/86/16/13/748861613.db2.gz KWYDXPZTWDDKAY-NSHDSACASA-N 1 1 328.800 0.260 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC[NH+](Cc3cncn3C)CC2)nn1 ZINC001003759262 748866881 /nfs/dbraw/zinc/86/68/81/748866881.db2.gz IWBBSKPBLWISPN-UHFFFAOYSA-N 1 1 329.408 0.592 20 30 ECEDMO C#CCCCCCC(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817866 748905108 /nfs/dbraw/zinc/90/51/08/748905108.db2.gz VLVOHACQUKVJRA-UHFFFAOYSA-N 1 1 339.480 0.849 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027879302 748977609 /nfs/dbraw/zinc/97/76/09/748977609.db2.gz PWVCHIJFJVONOY-UONOGXRCSA-N 1 1 331.420 0.919 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccc(C)nn2)C1=O ZINC001027880769 748998450 /nfs/dbraw/zinc/99/84/50/748998450.db2.gz TZWQHICCUSGXLP-GOEBONIOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccc(C)nn2)C1=O ZINC001027880769 748998452 /nfs/dbraw/zinc/99/84/52/748998452.db2.gz TZWQHICCUSGXLP-GOEBONIOSA-N 1 1 343.431 0.766 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(C)c(C)nn(C)c3=O)C[C@H]2C1 ZINC000980153994 749079089 /nfs/dbraw/zinc/07/90/89/749079089.db2.gz IMSZDINIHUJMSE-HRCADAONSA-N 1 1 342.443 0.861 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980155520 749081446 /nfs/dbraw/zinc/08/14/46/749081446.db2.gz FJIWWUHYOLQKFA-BFHYXJOUSA-N 1 1 332.404 0.352 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C[C@@H]2C1 ZINC000980162501 749093894 /nfs/dbraw/zinc/09/38/94/749093894.db2.gz PRZRKRZJYUUTBO-BBWFWOEESA-N 1 1 348.491 0.601 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001059646101 749094363 /nfs/dbraw/zinc/09/43/63/749094363.db2.gz MJWPKMAWACHIMX-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC000980164062 749095850 /nfs/dbraw/zinc/09/58/50/749095850.db2.gz NOSHFZMHVHAXHJ-SOUVJXGZSA-N 1 1 344.415 0.189 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC000980170102 749106964 /nfs/dbraw/zinc/10/69/64/749106964.db2.gz YAEHYZCNDVTRMT-SOUVJXGZSA-N 1 1 346.431 0.742 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001059647760 749108750 /nfs/dbraw/zinc/10/87/50/749108750.db2.gz GHISLWSLIUHSCU-INIZCTEOSA-N 1 1 346.431 0.586 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC000980181563 749117957 /nfs/dbraw/zinc/11/79/57/749117957.db2.gz DVEPGERCGRPRSQ-QEJZJMRPSA-N 1 1 333.432 0.832 20 30 ECEDMO C#CCNCc1cn([C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001098733556 749119428 /nfs/dbraw/zinc/11/94/28/749119428.db2.gz LTUMRUPGXCCGCY-MRXNPFEDSA-N 1 1 344.463 0.506 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)nc1 ZINC000980207302 749185866 /nfs/dbraw/zinc/18/58/66/749185866.db2.gz IYYLPSRDQHOAEC-SOUVJXGZSA-N 1 1 326.400 0.379 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ncc[nH]3)CC2)CC1 ZINC000985829219 749194094 /nfs/dbraw/zinc/19/40/94/749194094.db2.gz MRIGMHURQSMQDH-UHFFFAOYSA-N 1 1 346.435 0.481 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)Cn3cncn3)CC2)s1 ZINC001004101437 749212597 /nfs/dbraw/zinc/21/25/97/749212597.db2.gz XPGONAGJLYJGAM-UHFFFAOYSA-N 1 1 330.417 0.992 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000980248605 749237736 /nfs/dbraw/zinc/23/77/36/749237736.db2.gz UUBIENLCPLGJJE-MJBXVCDLSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC000980241498 749246537 /nfs/dbraw/zinc/24/65/37/749246537.db2.gz FSFKFLUOJSFJOZ-IHRRRGAJSA-N 1 1 341.415 0.429 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CCNC(=O)CSCC#N)C2)C1 ZINC001059671789 749314381 /nfs/dbraw/zinc/31/43/81/749314381.db2.gz LBKVQMXSYKMVEV-KBPBESRZSA-N 1 1 338.477 0.550 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC000986067457 749471122 /nfs/dbraw/zinc/47/11/22/749471122.db2.gz NWZMICQVUGCHSE-IXDOHACOSA-N 1 1 329.444 0.801 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCN(C)C3=O)C2)nc1 ZINC001029892491 749472572 /nfs/dbraw/zinc/47/25/72/749472572.db2.gz RQPQGDUURFDBKB-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC000980404935 749504094 /nfs/dbraw/zinc/50/40/94/749504094.db2.gz FGVBWWCVVWCOIO-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001004455533 749520732 /nfs/dbraw/zinc/52/07/32/749520732.db2.gz KMEJRQVAMHDETC-IAQYHMDHSA-N 1 1 329.404 0.272 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC001004455978 749522243 /nfs/dbraw/zinc/52/22/43/749522243.db2.gz LFJBABZLTNUQJC-CXAGYDPISA-N 1 1 340.427 0.449 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001004459750 749527180 /nfs/dbraw/zinc/52/71/80/749527180.db2.gz WKXYQYPUDBMNRV-KRWDZBQOSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001004472570 749541109 /nfs/dbraw/zinc/54/11/09/749541109.db2.gz GMNYFOWPIJTFGH-MRXNPFEDSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 ZINC001004474999 749544267 /nfs/dbraw/zinc/54/42/67/749544267.db2.gz QKLGYTXKMACIBD-MRXNPFEDSA-N 1 1 338.473 0.757 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)nn1 ZINC000986102740 749544233 /nfs/dbraw/zinc/54/42/33/749544233.db2.gz QWZNAFMCSMKWES-RISCZKNCSA-N 1 1 327.392 0.891 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001004521130 749591710 /nfs/dbraw/zinc/59/17/10/749591710.db2.gz JRZQGMJVKPZITB-IMJJTQAJSA-N 1 1 335.448 0.494 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)n1C ZINC000986135964 749607478 /nfs/dbraw/zinc/60/74/78/749607478.db2.gz RBGCJPLWVDQCQG-DGCLKSJQSA-N 1 1 341.419 0.970 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CS(=O)(=O)NC)C[C@]2(C)C1 ZINC001101465435 749626645 /nfs/dbraw/zinc/62/66/45/749626645.db2.gz IALULIQFRIDUPU-HIFRSBDPSA-N 1 1 329.466 0.282 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001004609407 749681390 /nfs/dbraw/zinc/68/13/90/749681390.db2.gz HQHXEBKJKLWNMQ-CABCVRRESA-N 1 1 346.431 0.311 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004638335 749717351 /nfs/dbraw/zinc/71/73/51/749717351.db2.gz ZVVMJIVYNLLRIH-CABCVRRESA-N 1 1 331.416 0.375 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000980549872 749735495 /nfs/dbraw/zinc/73/54/95/749735495.db2.gz MILSAKZMCFAFPU-DUPGQFARSA-N 1 1 343.431 0.709 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058845772 750079946 /nfs/dbraw/zinc/07/99/46/750079946.db2.gz WLPPDLTXOYWICH-INIZCTEOSA-N 1 1 337.464 0.459 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3ccc(F)cc3)C2)C1 ZINC001030182396 762009036 /nfs/dbraw/zinc/00/90/36/762009036.db2.gz KPEXXGXJCMTMNH-QGZVFWFLSA-N 1 1 331.391 0.308 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3ccc(F)cc3)C2)C1 ZINC001030182396 762009046 /nfs/dbraw/zinc/00/90/46/762009046.db2.gz KPEXXGXJCMTMNH-QGZVFWFLSA-N 1 1 331.391 0.308 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)c3cn[nH]n3)CC2)C1=O ZINC001029974562 750171274 /nfs/dbraw/zinc/17/12/74/750171274.db2.gz BALCXCYZGCFWDM-OAHLLOKOSA-N 1 1 346.435 0.376 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088505478 750186896 /nfs/dbraw/zinc/18/68/96/750186896.db2.gz JMGXVOKHSSUQRB-FRRDWIJNSA-N 1 1 346.269 0.805 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088505478 750186899 /nfs/dbraw/zinc/18/68/99/750186899.db2.gz JMGXVOKHSSUQRB-FRRDWIJNSA-N 1 1 346.269 0.805 20 30 ECEDMO C=CCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001075882680 750194234 /nfs/dbraw/zinc/19/42/34/750194234.db2.gz IFEAMIXEEVJJGV-YOFIQYCBSA-N 1 1 335.448 0.827 20 30 ECEDMO Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001058856842 750347168 /nfs/dbraw/zinc/34/71/68/750347168.db2.gz DKZPOXGSANGSMV-GJZGRUSLSA-N 1 1 329.404 0.605 20 30 ECEDMO Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001058856842 750347171 /nfs/dbraw/zinc/34/71/71/750347171.db2.gz DKZPOXGSANGSMV-GJZGRUSLSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN2CCCC2)CC1 ZINC001168162677 750402896 /nfs/dbraw/zinc/40/28/96/750402896.db2.gz QNEWRIMCGCBVTJ-HNNXBMFYSA-N 1 1 334.464 0.096 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nonc3C)[C@H]2C)nn1 ZINC000987132908 750526920 /nfs/dbraw/zinc/52/69/20/750526920.db2.gz IZUWUPUYPRMFOQ-VXGBXAGGSA-N 1 1 331.380 0.548 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3nnn(C)n3)C2)c1 ZINC000981332141 750591598 /nfs/dbraw/zinc/59/15/98/750591598.db2.gz ZZBJNBLTUWXJNF-GJZGRUSLSA-N 1 1 339.403 0.417 20 30 ECEDMO C#CCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCCS2(=O)=O)CC1 ZINC001005765413 750609460 /nfs/dbraw/zinc/60/94/60/750609460.db2.gz KMGGBNJFWIHRIU-HNNXBMFYSA-N 1 1 326.462 0.900 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088549801 750631679 /nfs/dbraw/zinc/63/16/79/750631679.db2.gz DYFDQPZFAAIJLL-UGFHNGPFSA-N 1 1 328.372 0.746 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001005804131 750655494 /nfs/dbraw/zinc/65/54/94/750655494.db2.gz LNZZWCWOMVMVCR-XHDPSFHLSA-N 1 1 329.404 0.557 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001005826197 750694183 /nfs/dbraw/zinc/69/41/83/750694183.db2.gz FEZOADCVLMHNBR-SUMWQHHRSA-N 1 1 340.427 0.734 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001005866426 750745428 /nfs/dbraw/zinc/74/54/28/750745428.db2.gz MTYSVWGLLVMUAR-STQMWFEESA-N 1 1 343.431 0.805 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC000987413353 750809636 /nfs/dbraw/zinc/80/96/36/750809636.db2.gz FHQLEVONRCEAEN-CJNGLKHVSA-N 1 1 338.415 0.513 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)[C@@H]1CNC(=O)N1 ZINC001028109031 750893349 /nfs/dbraw/zinc/89/33/49/750893349.db2.gz CGBQQXKFTBGWQH-CVEARBPZSA-N 1 1 344.390 0.439 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)[C@@H]1CNC(=O)N1 ZINC001028109031 750893355 /nfs/dbraw/zinc/89/33/55/750893355.db2.gz CGBQQXKFTBGWQH-CVEARBPZSA-N 1 1 344.390 0.439 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000987533280 750946381 /nfs/dbraw/zinc/94/63/81/750946381.db2.gz VEUZTOOIEOGKDK-OSAQELSMSA-N 1 1 329.404 0.700 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC000981672558 750953049 /nfs/dbraw/zinc/95/30/49/750953049.db2.gz XMBJZIBQKZSHGK-CABCVRRESA-N 1 1 332.448 0.987 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000981694605 750981163 /nfs/dbraw/zinc/98/11/63/750981163.db2.gz ILWMPFDPEGRSDL-UHFFFAOYSA-N 1 1 329.404 0.513 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)N2CCC2)C3)c[nH]1 ZINC000981719969 751009740 /nfs/dbraw/zinc/00/97/40/751009740.db2.gz LMPRKRGADFYNTE-UHFFFAOYSA-N 1 1 341.415 0.657 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)N2CCC2)C3)c[nH]1 ZINC000981719969 751009747 /nfs/dbraw/zinc/00/97/47/751009747.db2.gz LMPRKRGADFYNTE-UHFFFAOYSA-N 1 1 341.415 0.657 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000981722099 751014129 /nfs/dbraw/zinc/01/41/29/751014129.db2.gz LHCAANKPEPDSGA-AWEZNQCLSA-N 1 1 329.404 0.688 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC000981726752 751018853 /nfs/dbraw/zinc/01/88/53/751018853.db2.gz YGYDVHWXAZMYKH-CQSZACIVSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC000981726752 751018861 /nfs/dbraw/zinc/01/88/61/751018861.db2.gz YGYDVHWXAZMYKH-CQSZACIVSA-N 1 1 327.856 0.994 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C2)C1 ZINC000981772633 751082548 /nfs/dbraw/zinc/08/25/48/751082548.db2.gz XPCOXSGJHUZSHF-UHFFFAOYSA-N 1 1 331.416 0.329 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)COc3c(C)nn(C)c3C)C2)C1 ZINC000981768537 751091772 /nfs/dbraw/zinc/09/17/72/751091772.db2.gz JUQFIBLRHJKKMU-UHFFFAOYSA-N 1 1 330.432 0.973 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC000981796016 751113275 /nfs/dbraw/zinc/11/32/75/751113275.db2.gz MCAMIZMXGASERW-OAHLLOKOSA-N 1 1 335.448 0.592 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)n1 ZINC001059824415 751118200 /nfs/dbraw/zinc/11/82/00/751118200.db2.gz AFAOHWHQKSGQDK-DNVSUFBTSA-N 1 1 328.420 0.914 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001006301677 751219815 /nfs/dbraw/zinc/21/98/15/751219815.db2.gz ASCFORFLDXKGQQ-CYBMUJFWSA-N 1 1 344.415 0.504 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC000981876970 751229851 /nfs/dbraw/zinc/22/98/51/751229851.db2.gz IFMVNWVCQLLGSK-UHFFFAOYSA-N 1 1 332.404 0.449 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cn(C)cn2)C1 ZINC001006312413 751230386 /nfs/dbraw/zinc/23/03/86/751230386.db2.gz DOXGQZZZJIAQEZ-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cn(C)cn2)C1 ZINC001006312413 751230387 /nfs/dbraw/zinc/23/03/87/751230387.db2.gz DOXGQZZZJIAQEZ-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cnsn2)C1 ZINC001006315344 751235628 /nfs/dbraw/zinc/23/56/28/751235628.db2.gz FWCCIPBHYVMRLW-FZMZJTMJSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cnsn2)C1 ZINC001006315344 751235633 /nfs/dbraw/zinc/23/56/33/751235633.db2.gz FWCCIPBHYVMRLW-FZMZJTMJSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@H](O)C(C)C)C1 ZINC001006320165 751242609 /nfs/dbraw/zinc/24/26/09/751242609.db2.gz OGIFQRXOLWENJG-CWRNSKLLSA-N 1 1 335.448 0.064 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@H](O)C(C)C)C1 ZINC001006320165 751242612 /nfs/dbraw/zinc/24/26/12/751242612.db2.gz OGIFQRXOLWENJG-CWRNSKLLSA-N 1 1 335.448 0.064 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ncc[nH]2)C1 ZINC001006322847 751244951 /nfs/dbraw/zinc/24/49/51/751244951.db2.gz WUFMAIWNHYWCHB-OCCSQVGLSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ncc[nH]2)C1 ZINC001006322847 751244954 /nfs/dbraw/zinc/24/49/54/751244954.db2.gz WUFMAIWNHYWCHB-OCCSQVGLSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2coc(C)n2)C1 ZINC001006323695 751245786 /nfs/dbraw/zinc/24/57/86/751245786.db2.gz ZIOFURMPSDBFRO-LRDDRELGSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2coc(C)n2)C1 ZINC001006323695 751245791 /nfs/dbraw/zinc/24/57/91/751245791.db2.gz ZIOFURMPSDBFRO-LRDDRELGSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2coc(C)n2)C1 ZINC001006323697 751245817 /nfs/dbraw/zinc/24/58/17/751245817.db2.gz ZIOFURMPSDBFRO-WBMJQRKESA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2coc(C)n2)C1 ZINC001006323697 751245821 /nfs/dbraw/zinc/24/58/21/751245821.db2.gz ZIOFURMPSDBFRO-WBMJQRKESA-N 1 1 344.415 0.657 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(n3cc(C[NH2+]CCOC)nn3)C2)cn1 ZINC001105362859 752318610 /nfs/dbraw/zinc/31/86/10/752318610.db2.gz MFMZHICNZOIVLM-UHFFFAOYSA-N 1 1 340.387 0.088 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001007358219 752325486 /nfs/dbraw/zinc/32/54/86/752325486.db2.gz WBFGZKUSCKMYSN-XHSDSOJGSA-N 1 1 333.436 0.840 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1C ZINC000988614647 752383065 /nfs/dbraw/zinc/38/30/65/752383065.db2.gz VACFLNLYIVJXTJ-FZMZJTMJSA-N 1 1 341.419 0.970 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001059909827 752394402 /nfs/dbraw/zinc/39/44/02/752394402.db2.gz DGXBAEKXNVXVLY-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001059910423 752419248 /nfs/dbraw/zinc/41/92/48/752419248.db2.gz PBJRMHKVPYRQMD-UKRRQHHQSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1OC ZINC001212032120 752430460 /nfs/dbraw/zinc/43/04/60/752430460.db2.gz KTYIZQDMLOIVKS-BRWVUGGUSA-N 1 1 340.464 0.946 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001007479874 752430840 /nfs/dbraw/zinc/43/08/40/752430840.db2.gz BDOSHAVHUXLVAF-GFCCVEGCSA-N 1 1 327.388 0.891 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001059911389 752457049 /nfs/dbraw/zinc/45/70/49/752457049.db2.gz KILZIIUSIZCITG-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001059911389 752457053 /nfs/dbraw/zinc/45/70/53/752457053.db2.gz KILZIIUSIZCITG-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001059911480 752458104 /nfs/dbraw/zinc/45/81/04/752458104.db2.gz LJEILFKVMMAOKI-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001059911480 752458110 /nfs/dbraw/zinc/45/81/10/752458110.db2.gz LJEILFKVMMAOKI-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3cncn3C)C2)nn1 ZINC001105367789 752464800 /nfs/dbraw/zinc/46/48/00/752464800.db2.gz AMPWDPLODSTUJY-UHFFFAOYSA-N 1 1 343.435 0.693 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCCN(C)C(C)=O)C2)nn1 ZINC001105367870 752465936 /nfs/dbraw/zinc/46/59/36/752465936.db2.gz FDBSYCGUVPGSDP-UHFFFAOYSA-N 1 1 348.451 0.586 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001059912174 752468544 /nfs/dbraw/zinc/46/85/44/752468544.db2.gz XERHBNNOUQRUJN-YOEHRIQHSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001059912174 752468546 /nfs/dbraw/zinc/46/85/46/752468546.db2.gz XERHBNNOUQRUJN-YOEHRIQHSA-N 1 1 343.431 0.616 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)n1C ZINC000988649991 752469819 /nfs/dbraw/zinc/46/98/19/752469819.db2.gz DEGDZUBWGOTYCQ-WCQYABFASA-N 1 1 341.419 0.970 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cccnc3)C2)C1=O ZINC001028376194 752497966 /nfs/dbraw/zinc/49/79/66/752497966.db2.gz ZJOKJRSBZFHBLR-GDBMZVCRSA-N 1 1 328.416 0.920 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cnccn3)C2)C1=O ZINC001028382250 752509630 /nfs/dbraw/zinc/50/96/30/752509630.db2.gz RBWJMZRUHWZPTI-HIFRSBDPSA-N 1 1 329.404 0.315 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cnc(C)cn3)C2)C1=O ZINC001028382059 752509663 /nfs/dbraw/zinc/50/96/63/752509663.db2.gz DHTGPFNQDAACIK-GDBMZVCRSA-N 1 1 343.431 0.624 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001103470947 752526638 /nfs/dbraw/zinc/52/66/38/752526638.db2.gz OJNAXSCMZDMCRU-HZSPNIEDSA-N 1 1 331.482 0.574 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)C3=COCCO3)C2)C1=O ZINC001028391888 752529713 /nfs/dbraw/zinc/52/97/13/752529713.db2.gz MLSWBFPOUGLWBF-KGLIPLIRSA-N 1 1 335.404 0.100 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001028389995 752538310 /nfs/dbraw/zinc/53/83/10/752538310.db2.gz KNTNTNSQUGQBEJ-TZMCWYRMSA-N 1 1 345.403 0.021 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001028420557 752591847 /nfs/dbraw/zinc/59/18/47/752591847.db2.gz MBAXGVVFGYAXSK-PBHICJAKSA-N 1 1 329.400 0.912 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cnns3)C2)C1=O ZINC001028424651 752611913 /nfs/dbraw/zinc/61/19/13/752611913.db2.gz SPYKJZCABMSVEC-RYUDHWBXSA-N 1 1 335.433 0.377 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001030019201 752630157 /nfs/dbraw/zinc/63/01/57/752630157.db2.gz LASVZKROHZLCMV-PMPSAXMXSA-N 1 1 344.463 0.554 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H]1C ZINC000988736602 752634852 /nfs/dbraw/zinc/63/48/52/752634852.db2.gz OXIKITBOXYKHHG-LTIDMASMSA-N 1 1 346.475 0.284 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccnn3C)C2)C1=O ZINC001028439463 752643381 /nfs/dbraw/zinc/64/33/81/752643381.db2.gz TZBSTBVGIQHCJW-ZFWWWQNUSA-N 1 1 331.420 0.259 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c1 ZINC001028467529 752761721 /nfs/dbraw/zinc/76/17/21/752761721.db2.gz DMXNXOVCQIGZLV-KBPBESRZSA-N 1 1 343.431 0.854 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000938051560 752771105 /nfs/dbraw/zinc/77/11/05/752771105.db2.gz QIWFDLHDJATTDU-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000938051560 752771108 /nfs/dbraw/zinc/77/11/08/752771108.db2.gz QIWFDLHDJATTDU-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)[nH]1 ZINC001028487002 752831883 /nfs/dbraw/zinc/83/18/83/752831883.db2.gz OLNFEBPZAPOBMA-DZGCQCFKSA-N 1 1 342.403 0.196 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)c[nH]1 ZINC001028491537 752834756 /nfs/dbraw/zinc/83/47/56/752834756.db2.gz AJHOVPIRBINIIZ-SWLSCSKDSA-N 1 1 339.403 0.717 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(OC)no3)C2)C1=O ZINC001028492352 752838723 /nfs/dbraw/zinc/83/87/23/752838723.db2.gz LJXSPHYOSKZHAK-STQMWFEESA-N 1 1 348.403 0.522 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC001007717442 752854492 /nfs/dbraw/zinc/85/44/92/752854492.db2.gz KMGHEEIWIDUMEI-CXAGYDPISA-N 1 1 345.403 0.181 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000982546645 752859293 /nfs/dbraw/zinc/85/92/93/752859293.db2.gz MWNBIDLPOSUJGD-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001007745038 752890577 /nfs/dbraw/zinc/89/05/77/752890577.db2.gz KARKZPOHFPMJLU-ZDUSSCGKSA-N 1 1 328.376 0.537 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001007745038 752890584 /nfs/dbraw/zinc/89/05/84/752890584.db2.gz KARKZPOHFPMJLU-ZDUSSCGKSA-N 1 1 328.376 0.537 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001028497064 752893355 /nfs/dbraw/zinc/89/33/55/752893355.db2.gz POVVDKUUIUZWQS-JTQLQIEISA-N 1 1 342.241 0.963 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001028497064 752893358 /nfs/dbraw/zinc/89/33/58/752893358.db2.gz POVVDKUUIUZWQS-JTQLQIEISA-N 1 1 342.241 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001007751717 752896367 /nfs/dbraw/zinc/89/63/67/752896367.db2.gz ANCCZNJUADFHNX-CZUORRHYSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001007751717 752896372 /nfs/dbraw/zinc/89/63/72/752896372.db2.gz ANCCZNJUADFHNX-CZUORRHYSA-N 1 1 345.447 0.953 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001059931675 752909226 /nfs/dbraw/zinc/90/92/26/752909226.db2.gz UKXYFCZHWCZBIJ-KBPBESRZSA-N 1 1 328.420 0.633 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)cc1 ZINC001028520253 753048845 /nfs/dbraw/zinc/04/88/45/753048845.db2.gz ZIJZYHWQXIMRGS-GJZGRUSLSA-N 1 1 328.372 0.605 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001028549611 753112578 /nfs/dbraw/zinc/11/25/78/753112578.db2.gz SFHYMDRHHDDZBZ-ZNMIVQPWSA-N 1 1 344.477 0.450 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001028549611 753112582 /nfs/dbraw/zinc/11/25/82/753112582.db2.gz SFHYMDRHHDDZBZ-ZNMIVQPWSA-N 1 1 344.477 0.450 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001007951598 753119869 /nfs/dbraw/zinc/11/98/69/753119869.db2.gz JYYZDRKCBDHBNS-AWEZNQCLSA-N 1 1 327.450 0.016 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC000989064714 753202006 /nfs/dbraw/zinc/20/20/06/753202006.db2.gz IPGHIGHPAQHWMT-FPXQBCRKSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC000989064714 753202010 /nfs/dbraw/zinc/20/20/10/753202010.db2.gz IPGHIGHPAQHWMT-FPXQBCRKSA-N 1 1 345.443 0.228 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@]2(C)C1 ZINC000982647182 753206826 /nfs/dbraw/zinc/20/68/26/753206826.db2.gz WFYMDRKXNXHPRC-HDICACEKSA-N 1 1 331.416 0.233 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001008052924 753243882 /nfs/dbraw/zinc/24/38/82/753243882.db2.gz QABYSYRGMFKSGB-CYBMUJFWSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000982665355 753257649 /nfs/dbraw/zinc/25/76/49/753257649.db2.gz OVYHKZZGPPBKKA-XJKCOSOUSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000982670221 753276495 /nfs/dbraw/zinc/27/64/95/753276495.db2.gz SEOBSMFMSWBOOH-WBVHZDCISA-N 1 1 345.443 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000982670221 753276500 /nfs/dbraw/zinc/27/65/00/753276500.db2.gz SEOBSMFMSWBOOH-WBVHZDCISA-N 1 1 345.443 0.395 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001028581624 753380986 /nfs/dbraw/zinc/38/09/86/753380986.db2.gz KYZDUCDRVFKCFX-IAGOWNOFSA-N 1 1 340.427 0.975 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001028581356 753397003 /nfs/dbraw/zinc/39/70/03/753397003.db2.gz IONDNBMXEYICNR-NEPJUHHUSA-N 1 1 344.253 0.811 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001028581356 753397007 /nfs/dbraw/zinc/39/70/07/753397007.db2.gz IONDNBMXEYICNR-NEPJUHHUSA-N 1 1 344.253 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnsn2)[C@@H]1C ZINC001088631099 753443158 /nfs/dbraw/zinc/44/31/58/753443158.db2.gz QTBSCGHQWSRYJX-SNPRPXQTSA-N 1 1 333.461 0.715 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnsn2)[C@@H]1C ZINC001088631099 753443163 /nfs/dbraw/zinc/44/31/63/753443163.db2.gz QTBSCGHQWSRYJX-SNPRPXQTSA-N 1 1 333.461 0.715 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@]3(C)C[N@@H+](CC(N)=O)C[C@]3(C)C2)nc1 ZINC000982740315 753451409 /nfs/dbraw/zinc/45/14/09/753451409.db2.gz HPSGUIUTDARGES-HDICACEKSA-N 1 1 326.400 0.332 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@]3(C)C[N@H+](CC(N)=O)C[C@]3(C)C2)nc1 ZINC000982740315 753451416 /nfs/dbraw/zinc/45/14/16/753451416.db2.gz HPSGUIUTDARGES-HDICACEKSA-N 1 1 326.400 0.332 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@]2(C)C[N@@H+](CC(N)=O)C[C@]2(C)C1 ZINC000982758139 753492881 /nfs/dbraw/zinc/49/28/81/753492881.db2.gz YNTLNKCIPRFQIX-BGYRXZFFSA-N 1 1 339.439 0.866 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@]2(C)C[N@H+](CC(N)=O)C[C@]2(C)C1 ZINC000982758139 753492886 /nfs/dbraw/zinc/49/28/86/753492886.db2.gz YNTLNKCIPRFQIX-BGYRXZFFSA-N 1 1 339.439 0.866 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000982777320 753529208 /nfs/dbraw/zinc/52/92/08/753529208.db2.gz BIYFXTVHINFIQN-CYBMUJFWSA-N 1 1 340.387 0.670 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000982777321 753529379 /nfs/dbraw/zinc/52/93/79/753529379.db2.gz BIYFXTVHINFIQN-ZDUSSCGKSA-N 1 1 340.387 0.670 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001059039526 753531502 /nfs/dbraw/zinc/53/15/02/753531502.db2.gz KRWLXHGNQAOWRT-DZGCQCFKSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001059039526 753531505 /nfs/dbraw/zinc/53/15/05/753531505.db2.gz KRWLXHGNQAOWRT-DZGCQCFKSA-N 1 1 344.419 0.470 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)nn1 ZINC001098680737 753583448 /nfs/dbraw/zinc/58/34/48/753583448.db2.gz IRGDPCQITRSACZ-HIFRSBDPSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(c2ncccn2)C1 ZINC001059968490 753649087 /nfs/dbraw/zinc/64/90/87/753649087.db2.gz GUEWGXOQAYAFPG-CVEARBPZSA-N 1 1 327.432 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(c2ncccn2)C1 ZINC001059968490 753649089 /nfs/dbraw/zinc/64/90/89/753649089.db2.gz GUEWGXOQAYAFPG-CVEARBPZSA-N 1 1 327.432 0.907 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)nn1 ZINC001098682744 753684830 /nfs/dbraw/zinc/68/48/30/753684830.db2.gz GACZDFSYZJLPLA-LBPRGKRZSA-N 1 1 331.380 0.378 20 30 ECEDMO Cn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083366069 753692229 /nfs/dbraw/zinc/69/22/29/753692229.db2.gz QIEQHFUIUTVIMY-ZBFHGGJFSA-N 1 1 325.372 0.267 20 30 ECEDMO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083366069 753692235 /nfs/dbraw/zinc/69/22/35/753692235.db2.gz QIEQHFUIUTVIMY-ZBFHGGJFSA-N 1 1 325.372 0.267 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001008415329 753722878 /nfs/dbraw/zinc/72/28/78/753722878.db2.gz CKWSOTRQWSRVFN-TZMCWYRMSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001008415329 753722884 /nfs/dbraw/zinc/72/28/84/753722884.db2.gz CKWSOTRQWSRVFN-TZMCWYRMSA-N 1 1 347.419 0.107 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001008416171 753723930 /nfs/dbraw/zinc/72/39/30/753723930.db2.gz GLZUDXBGUWIPQM-OAHLLOKOSA-N 1 1 348.447 0.865 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001008416171 753723935 /nfs/dbraw/zinc/72/39/35/753723935.db2.gz GLZUDXBGUWIPQM-OAHLLOKOSA-N 1 1 348.447 0.865 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2ccnc(C#N)n2)CC[N@H+]1C ZINC001105533547 753803041 /nfs/dbraw/zinc/80/30/41/753803041.db2.gz XODWHNZWIMEYDT-KBPBESRZSA-N 1 1 330.436 0.973 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001008516319 753847354 /nfs/dbraw/zinc/84/73/54/753847354.db2.gz HNOJETADPWXYKN-OWCLPIDISA-N 1 1 335.448 0.923 20 30 ECEDMO CN(CCN(C)c1ccncc1C#N)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583025 753863169 /nfs/dbraw/zinc/86/31/69/753863169.db2.gz FOPAUKIFVNCVST-DOTOQJQBSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583138 753864569 /nfs/dbraw/zinc/86/45/69/753864569.db2.gz KPZYVSWRWDREAJ-GJZGRUSLSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583316 753864909 /nfs/dbraw/zinc/86/49/09/753864909.db2.gz SLQWGYOTRKGNPP-DLBZAZTESA-N 1 1 343.431 0.711 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)c3cn(CC(N)=O)nn3)C[C@@]2(C)C1 ZINC000982832156 753888135 /nfs/dbraw/zinc/88/81/35/753888135.db2.gz WLHFTPUXWQXROL-CALCHBBNSA-N 1 1 346.435 0.124 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001008543354 753893423 /nfs/dbraw/zinc/89/34/23/753893423.db2.gz VEIRQLRMELXNJK-CQSZACIVSA-N 1 1 330.432 0.741 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn(C)c(=O)n3C)C[C@@]2(C)C1 ZINC000982842001 753952747 /nfs/dbraw/zinc/95/27/47/753952747.db2.gz JXZUJTSYXTVLRD-HDICACEKSA-N 1 1 330.432 0.531 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982861274 754014990 /nfs/dbraw/zinc/01/49/90/754014990.db2.gz DRLRBTDCSXEKLA-XWIAVFTESA-N 1 1 331.416 0.233 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000989510937 754060964 /nfs/dbraw/zinc/06/09/64/754060964.db2.gz JJZCIUXHHSZEEP-UHFFFAOYSA-N 1 1 325.368 0.741 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028636356 754062606 /nfs/dbraw/zinc/06/26/06/754062606.db2.gz ACYNJECISKTLRG-LLVKDONJSA-N 1 1 327.406 0.555 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)c1 ZINC000989516728 754067804 /nfs/dbraw/zinc/06/78/04/754067804.db2.gz IMZUJNOYQCUEOK-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)c1 ZINC000989516728 754067809 /nfs/dbraw/zinc/06/78/09/754067809.db2.gz IMZUJNOYQCUEOK-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CCc3ccnn3C)C2)nn1 ZINC001008795073 754126444 /nfs/dbraw/zinc/12/64/44/754126444.db2.gz OMLZHKBPOSJICE-CQSZACIVSA-N 1 1 343.435 0.635 20 30 ECEDMO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001075680503 754144609 /nfs/dbraw/zinc/14/46/09/754144609.db2.gz USGJGWAODMSBMY-QWHCGFSZSA-N 1 1 326.466 0.738 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncccn3)C2)c1 ZINC001051523241 762273526 /nfs/dbraw/zinc/27/35/26/762273526.db2.gz AMWYQWRRDPQLMW-ZDUSSCGKSA-N 1 1 326.360 0.307 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2csnn2)C1 ZINC000982921179 754199753 /nfs/dbraw/zinc/19/97/53/754199753.db2.gz GUDSPSNJDQPUGL-JSGCOSHPSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2csnn2)C1 ZINC000982921179 754199758 /nfs/dbraw/zinc/19/97/58/754199758.db2.gz GUDSPSNJDQPUGL-JSGCOSHPSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cncs2)C1 ZINC000982922048 754204221 /nfs/dbraw/zinc/20/42/21/754204221.db2.gz JGHJJAGJFSPFAK-KGLIPLIRSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cncs2)C1 ZINC000982922048 754204224 /nfs/dbraw/zinc/20/42/24/754204224.db2.gz JGHJJAGJFSPFAK-KGLIPLIRSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2conc2C)C1 ZINC000982923565 754207231 /nfs/dbraw/zinc/20/72/31/754207231.db2.gz QJBHGRXWFRAIRZ-ZBFHGGJFSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2conc2C)C1 ZINC000982923565 754207237 /nfs/dbraw/zinc/20/72/37/754207237.db2.gz QJBHGRXWFRAIRZ-ZBFHGGJFSA-N 1 1 344.415 0.659 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000983009205 754418186 /nfs/dbraw/zinc/41/81/86/754418186.db2.gz KOVLGOBBIAVPQV-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001059999781 754475597 /nfs/dbraw/zinc/47/55/97/754475597.db2.gz JDXLPOWAPSQKHB-CABCVRRESA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001059999781 754475600 /nfs/dbraw/zinc/47/56/00/754475600.db2.gz JDXLPOWAPSQKHB-CABCVRRESA-N 1 1 344.415 0.741 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC001009063232 754497575 /nfs/dbraw/zinc/49/75/75/754497575.db2.gz KLXOIRPZGSXORS-VCOSZWKGSA-N 1 1 341.415 0.272 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)[C@H]3C[C@@H](C(=O)OC)CCN3C2=O)C1 ZINC000925325451 754509735 /nfs/dbraw/zinc/50/97/35/754509735.db2.gz LMBISSFBSZBBMM-MELADBBJSA-N 1 1 333.388 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)[C@H]3C[C@@H](C(=O)OC)CCN3C2=O)C1 ZINC000925325451 754509740 /nfs/dbraw/zinc/50/97/40/754509740.db2.gz LMBISSFBSZBBMM-MELADBBJSA-N 1 1 333.388 0.300 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1cc(C)ncc1C#N ZINC001105873199 762319826 /nfs/dbraw/zinc/31/98/26/762319826.db2.gz NLHQDOGECLWXGH-DOTOQJQBSA-N 1 1 345.447 0.447 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001028724903 754859743 /nfs/dbraw/zinc/85/97/43/754859743.db2.gz RIPWXWBJBOKAAU-GFCCVEGCSA-N 1 1 330.396 0.322 20 30 ECEDMO Cc1nc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)co1 ZINC001051562006 762343611 /nfs/dbraw/zinc/34/36/11/762343611.db2.gz DQLZDRGBDKCXJW-HNNXBMFYSA-N 1 1 329.360 0.814 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000983224980 754912393 /nfs/dbraw/zinc/91/23/93/754912393.db2.gz XCBSSVUMRQRYKR-NEPJUHHUSA-N 1 1 333.392 0.474 20 30 ECEDMO Cc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC001051564101 762349325 /nfs/dbraw/zinc/34/93/25/762349325.db2.gz XKOLBQXCIDIPGZ-OAHLLOKOSA-N 1 1 340.387 0.616 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)C2)c1 ZINC001028767297 755041397 /nfs/dbraw/zinc/04/13/97/755041397.db2.gz CBBYFTTVRRFTPE-OAHLLOKOSA-N 1 1 337.383 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2nocc2C)C1 ZINC000983298399 755091339 /nfs/dbraw/zinc/09/13/39/755091339.db2.gz XWCDSGXCMLCKQU-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2nocc2C)C1 ZINC000983298399 755091344 /nfs/dbraw/zinc/09/13/44/755091344.db2.gz XWCDSGXCMLCKQU-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001028792951 755141720 /nfs/dbraw/zinc/14/17/20/755141720.db2.gz PKYROXCTROQLEN-HNNXBMFYSA-N 1 1 326.400 0.347 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1C ZINC001088713522 755156452 /nfs/dbraw/zinc/15/64/52/755156452.db2.gz SDYNFJSZVYTYFA-ZBFHGGJFSA-N 1 1 332.448 0.977 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1C ZINC001088713522 755156455 /nfs/dbraw/zinc/15/64/55/755156455.db2.gz SDYNFJSZVYTYFA-ZBFHGGJFSA-N 1 1 332.448 0.977 20 30 ECEDMO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]nnc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105647627 755173647 /nfs/dbraw/zinc/17/36/47/755173647.db2.gz SJZZUNRUKXKKPK-SZXPJGKVSA-N 1 1 345.447 0.716 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001028856598 755321006 /nfs/dbraw/zinc/32/10/06/755321006.db2.gz LDACHYPPCHEHMO-KGLIPLIRSA-N 1 1 331.420 0.557 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001028857463 755322181 /nfs/dbraw/zinc/32/21/81/755322181.db2.gz IKQILEAQYOFEHU-ZFWWWQNUSA-N 1 1 346.435 0.185 20 30 ECEDMO COCCN(CCNC(=O)Cn1c[nH+]cc1C)c1ccc(C#N)nc1 ZINC001126440733 755328073 /nfs/dbraw/zinc/32/80/73/755328073.db2.gz PSWLSEBVXARRCX-UHFFFAOYSA-N 1 1 342.403 0.727 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001028875600 755363067 /nfs/dbraw/zinc/36/30/67/755363067.db2.gz IQBZQABXQGTWTM-CYBMUJFWSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001028875600 755363070 /nfs/dbraw/zinc/36/30/70/755363070.db2.gz IQBZQABXQGTWTM-CYBMUJFWSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001028875600 755363073 /nfs/dbraw/zinc/36/30/73/755363073.db2.gz IQBZQABXQGTWTM-CYBMUJFWSA-N 1 1 340.387 0.937 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001028916750 755473582 /nfs/dbraw/zinc/47/35/82/755473582.db2.gz UOVGESCGPYDBKB-CQSZACIVSA-N 1 1 331.420 0.705 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001028918605 755477257 /nfs/dbraw/zinc/47/72/57/755477257.db2.gz JPVZNSOLDOHIGT-KBPBESRZSA-N 1 1 346.431 0.962 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001028918676 755477417 /nfs/dbraw/zinc/47/74/17/755477417.db2.gz KVWGQQKAGMCFGC-AWEZNQCLSA-N 1 1 346.431 0.786 20 30 ECEDMO CC[NH+]=C(NCCN1CCN(CC)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261939214 755480203 /nfs/dbraw/zinc/48/02/03/755480203.db2.gz DEYLKHFUXAAFKC-GOSISDBHSA-N 1 1 337.512 0.702 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC001075986837 755570928 /nfs/dbraw/zinc/57/09/28/755570928.db2.gz OPHUNTPXGJPHIK-NWDGAFQWSA-N 1 1 337.401 0.097 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)nn1 ZINC001098654940 755597952 /nfs/dbraw/zinc/59/79/52/755597952.db2.gz DFWBVQDMKWUWKQ-JSGCOSHPSA-N 1 1 333.392 0.280 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001040284997 755625538 /nfs/dbraw/zinc/62/55/38/755625538.db2.gz ZRNPBBQRKRWUNF-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001040284997 755625541 /nfs/dbraw/zinc/62/55/41/755625541.db2.gz ZRNPBBQRKRWUNF-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCCC3=O)C2)cc1 ZINC001010103528 755652501 /nfs/dbraw/zinc/65/25/01/755652501.db2.gz DDVFLGUFVUWUAR-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@H]1C(C)C ZINC001105669025 755655218 /nfs/dbraw/zinc/65/52/18/755655218.db2.gz ORYUXBUEOXFJSH-JOCBIADPSA-N 1 1 336.480 0.818 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(Br)n[nH]2)[C@@H](O)C1 ZINC001083499300 755731819 /nfs/dbraw/zinc/73/18/19/755731819.db2.gz QSBMNWIKWVUVEC-ZJUUUORDSA-N 1 1 329.198 0.523 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990722946 755759553 /nfs/dbraw/zinc/75/95/53/755759553.db2.gz NUFBXHBHNZFEOY-AWEZNQCLSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@H](C)NC(C)=O)CC1 ZINC001105672993 755790611 /nfs/dbraw/zinc/79/06/11/755790611.db2.gz FWMQVPLOCYLDSW-JCGIZDLHSA-N 1 1 346.475 0.284 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CCCCO2)C1 ZINC000990767446 755854773 /nfs/dbraw/zinc/85/47/73/755854773.db2.gz IMZVVWZWWILGAZ-CVEARBPZSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CCCCO2)C1 ZINC000990767446 755854780 /nfs/dbraw/zinc/85/47/80/755854780.db2.gz IMZVVWZWWILGAZ-CVEARBPZSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CCOC1 ZINC001076006238 755883055 /nfs/dbraw/zinc/88/30/55/755883055.db2.gz BNDINZRROVBLOX-JYJNAYRXSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CCOC1 ZINC001076006238 755883059 /nfs/dbraw/zinc/88/30/59/755883059.db2.gz BNDINZRROVBLOX-JYJNAYRXSA-N 1 1 335.448 0.522 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088828558 755959362 /nfs/dbraw/zinc/95/93/62/755959362.db2.gz NMAGRXRQOTUYPO-WKPIXPDZSA-N 1 1 345.378 0.458 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088828558 755959366 /nfs/dbraw/zinc/95/93/66/755959366.db2.gz NMAGRXRQOTUYPO-WKPIXPDZSA-N 1 1 345.378 0.458 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083536002 755976287 /nfs/dbraw/zinc/97/62/87/755976287.db2.gz YRRQKYPARAIDRD-ILXRZTDVSA-N 1 1 341.402 0.291 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@H]12 ZINC000991649957 762447195 /nfs/dbraw/zinc/44/71/95/762447195.db2.gz ARFRCUOWJSYNME-GUYCJALGSA-N 1 1 330.388 0.085 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)[C@@H]2C1 ZINC001076243953 756274642 /nfs/dbraw/zinc/27/46/42/756274642.db2.gz JQELHTVAKOOCME-DZGCQCFKSA-N 1 1 328.416 0.303 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001076268064 756305575 /nfs/dbraw/zinc/30/55/75/756305575.db2.gz ZMZGEMNRUFSKEJ-SOUVJXGZSA-N 1 1 328.420 0.182 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)c[nH]1 ZINC001010670923 756377067 /nfs/dbraw/zinc/37/70/67/756377067.db2.gz QXASBNLZWPVGJU-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)c[nH]1 ZINC001010670923 756377071 /nfs/dbraw/zinc/37/70/71/756377071.db2.gz QXASBNLZWPVGJU-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO O=C(CN1CCOCC1)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010671029 756378027 /nfs/dbraw/zinc/37/80/27/756378027.db2.gz RPFISRGMMHNQAJ-SFHVURJKSA-N 1 1 345.418 0.700 20 30 ECEDMO O=C(CN1CCOCC1)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010671029 756378030 /nfs/dbraw/zinc/37/80/30/756378030.db2.gz RPFISRGMMHNQAJ-SFHVURJKSA-N 1 1 345.418 0.700 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001076349356 756408204 /nfs/dbraw/zinc/40/82/04/756408204.db2.gz ISDNDWSSEDSNSD-MJBXVCDLSA-N 1 1 327.450 0.129 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1n[nH]c(C)n1 ZINC001126926624 756409442 /nfs/dbraw/zinc/40/94/42/756409442.db2.gz PTRWBMWCNPITKI-GFCCVEGCSA-N 1 1 336.440 0.175 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1nnc(C)o1 ZINC001076373468 756435540 /nfs/dbraw/zinc/43/55/40/756435540.db2.gz WPWZQUOCSFBOBM-JSGCOSHPSA-N 1 1 347.419 0.029 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1nnc(C)o1 ZINC001076373468 756435542 /nfs/dbraw/zinc/43/55/42/756435542.db2.gz WPWZQUOCSFBOBM-JSGCOSHPSA-N 1 1 347.419 0.029 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnon4)[C@@H]3C2)C1=O ZINC001076376400 756443097 /nfs/dbraw/zinc/44/30/97/756443097.db2.gz BJNATMWQEAVDPM-FPMFFAJLSA-N 1 1 331.376 0.003 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1C ZINC001051612391 762468340 /nfs/dbraw/zinc/46/83/40/762468340.db2.gz RIYNNHXKDURQTP-AWEZNQCLSA-N 1 1 331.420 0.108 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001010768986 756500977 /nfs/dbraw/zinc/50/09/77/756500977.db2.gz WDZAQXPXHOGORK-CABCVRRESA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001010768986 756500981 /nfs/dbraw/zinc/50/09/81/756500981.db2.gz WDZAQXPXHOGORK-CABCVRRESA-N 1 1 329.404 0.376 20 30 ECEDMO Cn1oc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)cc1=O ZINC001010773273 756505129 /nfs/dbraw/zinc/50/51/29/756505129.db2.gz LAPGFFHLMHOXAD-AWEZNQCLSA-N 1 1 326.356 0.854 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3cn[nH]c(=O)c3)[C@@H](O)C2)c1 ZINC001083548069 756515663 /nfs/dbraw/zinc/51/56/63/756515663.db2.gz RLJHCUKONAMGQX-CABCVRRESA-N 1 1 339.355 0.029 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3cn[nH]c(=O)c3)[C@@H](O)C2)c1 ZINC001083548069 756515668 /nfs/dbraw/zinc/51/56/68/756515668.db2.gz RLJHCUKONAMGQX-CABCVRRESA-N 1 1 339.355 0.029 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001010829414 756577425 /nfs/dbraw/zinc/57/74/25/756577425.db2.gz FRGKFUXQEBWJNV-HUUCEWRRSA-N 1 1 332.448 0.939 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1COC(=O)N1 ZINC001010834000 756580622 /nfs/dbraw/zinc/58/06/22/756580622.db2.gz KAWGOMPRQITJRU-CABCVRRESA-N 1 1 347.802 0.990 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1COC(=O)N1 ZINC001010834000 756580624 /nfs/dbraw/zinc/58/06/24/756580624.db2.gz KAWGOMPRQITJRU-CABCVRRESA-N 1 1 347.802 0.990 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001010835534 756582307 /nfs/dbraw/zinc/58/23/07/756582307.db2.gz JBHKPOXISCGWNH-CABCVRRESA-N 1 1 332.448 0.939 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076503711 756586464 /nfs/dbraw/zinc/58/64/64/756586464.db2.gz UARJXQBRJLNKNT-GUTXKFCHSA-N 1 1 327.450 0.177 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076503531 756586658 /nfs/dbraw/zinc/58/66/58/756586658.db2.gz MBEDBUUYBJUNMQ-SQWLQELKSA-N 1 1 339.461 0.014 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001076510988 756604852 /nfs/dbraw/zinc/60/48/52/756604852.db2.gz ZDAOYODXDXLHBT-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccncc2F)CC1 ZINC001010857128 756606479 /nfs/dbraw/zinc/60/64/79/756606479.db2.gz CSOVMUALZCWZNQ-INIZCTEOSA-N 1 1 344.390 0.603 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccncc2F)CC1 ZINC001010857128 756606484 /nfs/dbraw/zinc/60/64/84/756606484.db2.gz CSOVMUALZCWZNQ-INIZCTEOSA-N 1 1 344.390 0.603 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)[C@@H]2C1 ZINC001076540413 756623414 /nfs/dbraw/zinc/62/34/14/756623414.db2.gz LSQHKRCBGRGWSH-DOTOQJQBSA-N 1 1 336.399 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CCCCO2)CC1 ZINC001010972868 756715845 /nfs/dbraw/zinc/71/58/45/756715845.db2.gz UUFQZRWOTJDTIH-IRXDYDNUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CCCCO2)CC1 ZINC001010972868 756715849 /nfs/dbraw/zinc/71/58/49/756715849.db2.gz UUFQZRWOTJDTIH-IRXDYDNUSA-N 1 1 347.459 0.714 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011026579 756788090 /nfs/dbraw/zinc/78/80/90/756788090.db2.gz CENVKQDNBNPQRJ-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC001011061858 756856954 /nfs/dbraw/zinc/85/69/54/756856954.db2.gz QQFIBLGLBXSXLF-SJORKVTESA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC001011061858 756856958 /nfs/dbraw/zinc/85/69/58/756856958.db2.gz QQFIBLGLBXSXLF-SJORKVTESA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@H](C)OC)nn2)C1 ZINC001098666563 756929817 /nfs/dbraw/zinc/92/98/17/756929817.db2.gz ASALRZLLEACYFR-HOCLYGCPSA-N 1 1 333.436 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC2(O)CCC2)CC1 ZINC001011103249 756929814 /nfs/dbraw/zinc/92/98/14/756929814.db2.gz IXAOOGLUHBKMKI-HNNXBMFYSA-N 1 1 333.432 0.060 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC2(O)CCC2)CC1 ZINC001011103249 756929822 /nfs/dbraw/zinc/92/98/22/756929822.db2.gz IXAOOGLUHBKMKI-HNNXBMFYSA-N 1 1 333.432 0.060 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001048796219 757024472 /nfs/dbraw/zinc/02/44/72/757024472.db2.gz HRJMFDRHPKYHNK-XHSDSOJGSA-N 1 1 340.383 0.557 20 30 ECEDMO Cn1nncc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2C1 ZINC001048796191 757024995 /nfs/dbraw/zinc/02/49/95/757024995.db2.gz GSHFQMDPIYLBIP-IYBDPMFKSA-N 1 1 336.399 0.891 20 30 ECEDMO C=CCOCC(=O)NCc1cn(C2C[NH+](CCCCOC)C2)nn1 ZINC001107146519 757040108 /nfs/dbraw/zinc/04/01/08/757040108.db2.gz LZHCPSQYHZSAMZ-UHFFFAOYSA-N 1 1 337.424 0.380 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001011158662 757056723 /nfs/dbraw/zinc/05/67/23/757056723.db2.gz CCDRCFPPNRBQLZ-HNNXBMFYSA-N 1 1 326.400 0.299 20 30 ECEDMO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](CCC[C@H]3CCOC3)C2)nn1 ZINC001107149502 757086236 /nfs/dbraw/zinc/08/62/36/757086236.db2.gz HJYIFPAUOAJMIR-KGLIPLIRSA-N 1 1 346.435 0.727 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001011164158 757089081 /nfs/dbraw/zinc/08/90/81/757089081.db2.gz LDJLMAKMTYMLCM-CVEARBPZSA-N 1 1 346.431 0.844 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)COc3c(C)nn(C)c3C)C[C@H]2C1 ZINC001048818599 757099213 /nfs/dbraw/zinc/09/92/13/757099213.db2.gz OXIWZVAUSQLMDL-IYBDPMFKSA-N 1 1 330.432 0.829 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@]45C[C@H]4COC5)C[C@H]3C2)C1=O ZINC001048830143 757130948 /nfs/dbraw/zinc/13/09/48/757130948.db2.gz KENLZNPKXKMLKS-SPCJURDBSA-N 1 1 345.443 0.200 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3coc(S(C)(=O)=O)c3)C[C@H]2C1 ZINC001048830335 757131287 /nfs/dbraw/zinc/13/12/87/757131287.db2.gz LVVCMNKMYGUFKQ-OKILXGFUSA-N 1 1 336.413 0.710 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001011212009 757197794 /nfs/dbraw/zinc/19/77/94/757197794.db2.gz WYNWHFZRNAYUQY-HZMVEIRTSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@H]2C1 ZINC001048900752 757343788 /nfs/dbraw/zinc/34/37/88/757343788.db2.gz LNZSHXWRUGLDTO-BETUJISGSA-N 1 1 339.417 0.507 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@H]2C1 ZINC001048916420 757399709 /nfs/dbraw/zinc/39/97/09/757399709.db2.gz WIHDSVDYOXQHNP-IYBDPMFKSA-N 1 1 329.400 0.132 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)c1 ZINC001011282600 757403439 /nfs/dbraw/zinc/40/34/39/757403439.db2.gz ZZIMCGXHVATSRU-UHFFFAOYSA-N 1 1 340.427 0.832 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001048922873 757421610 /nfs/dbraw/zinc/42/16/10/757421610.db2.gz AKKFFUCWYKNJEE-NCOADZHNSA-N 1 1 349.475 0.550 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]n1 ZINC001076870107 757423536 /nfs/dbraw/zinc/42/35/36/757423536.db2.gz JRRAMPYCSAVMDD-IAGOWNOFSA-N 1 1 339.399 0.494 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]n1 ZINC001076870107 757423545 /nfs/dbraw/zinc/42/35/45/757423545.db2.gz JRRAMPYCSAVMDD-IAGOWNOFSA-N 1 1 339.399 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnsn2)C1=O ZINC001032297394 757425096 /nfs/dbraw/zinc/42/50/96/757425096.db2.gz YRTAYZDIWNYNIO-GVXVVHGQSA-N 1 1 333.417 0.224 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnsn2)C1=O ZINC001032297394 757425103 /nfs/dbraw/zinc/42/51/03/757425103.db2.gz YRTAYZDIWNYNIO-GVXVVHGQSA-N 1 1 333.417 0.224 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCC(=O)N3C)nn2)C1 ZINC001107190921 757440294 /nfs/dbraw/zinc/44/02/94/757440294.db2.gz HZKKFCSFGQWDCB-CQSZACIVSA-N 1 1 346.435 0.338 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CCCC)C[C@H]2C1 ZINC001048960671 757522223 /nfs/dbraw/zinc/52/22/23/757522223.db2.gz HSHQDMBACQGICR-KSZLIROESA-N 1 1 333.476 0.901 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)c[nH]1 ZINC001076907435 757562861 /nfs/dbraw/zinc/56/28/61/757562861.db2.gz OVAGSZJJSSCGEP-APHBMKBZSA-N 1 1 332.404 0.478 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2O)c[nH]1 ZINC001076907235 757563028 /nfs/dbraw/zinc/56/30/28/757563028.db2.gz GQCJKGHMORXATE-IAGOWNOFSA-N 1 1 340.383 0.354 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2O)c[nH]1 ZINC001076907235 757563036 /nfs/dbraw/zinc/56/30/36/757563036.db2.gz GQCJKGHMORXATE-IAGOWNOFSA-N 1 1 340.383 0.354 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000996442223 757610776 /nfs/dbraw/zinc/61/07/76/757610776.db2.gz NZXZGUVGFFAMMK-CQSZACIVSA-N 1 1 326.400 0.345 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(CCOC)nn2)C1 ZINC001021585831 757643986 /nfs/dbraw/zinc/64/39/86/757643986.db2.gz WOGWAKBNYOHMJG-NVXWUHKLSA-N 1 1 345.447 0.874 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001021590668 757653455 /nfs/dbraw/zinc/65/34/55/757653455.db2.gz GNTMYASNOFRRDU-CABCVRRESA-N 1 1 344.463 0.917 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCCS2(=O)=O)C1 ZINC001021594952 757660614 /nfs/dbraw/zinc/66/06/14/757660614.db2.gz RZMASAROSJRBBN-LSDHHAIUSA-N 1 1 341.477 0.521 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2nccnc2C#N)C1 ZINC001107210031 757689405 /nfs/dbraw/zinc/68/94/05/757689405.db2.gz BNDVAWZVBJVWPH-VQTKUKTRSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2nccnc2C#N)C1 ZINC001107210031 757689406 /nfs/dbraw/zinc/68/94/06/757689406.db2.gz BNDVAWZVBJVWPH-VQTKUKTRSA-N 1 1 330.392 0.153 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021618083 757690742 /nfs/dbraw/zinc/69/07/42/757690742.db2.gz BPRPWQIBWNERCP-HZPDHXFCSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021618083 757690746 /nfs/dbraw/zinc/69/07/46/757690746.db2.gz BPRPWQIBWNERCP-HZPDHXFCSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021617476 757690852 /nfs/dbraw/zinc/69/08/52/757690852.db2.gz VANDTQHCNMGYGF-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)C1 ZINC001107210984 757697154 /nfs/dbraw/zinc/69/71/54/757697154.db2.gz QYLSDESOLQDKTG-VQTKUKTRSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)C1 ZINC001107210984 757697157 /nfs/dbraw/zinc/69/71/57/757697157.db2.gz QYLSDESOLQDKTG-VQTKUKTRSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ncc(C#N)cc2F)C1 ZINC001107211164 757699731 /nfs/dbraw/zinc/69/97/31/757699731.db2.gz SRIDLNUQOHGZDN-JZIMQPMSSA-N 1 1 347.394 0.897 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ncc(C#N)cc2F)C1 ZINC001107211164 757699738 /nfs/dbraw/zinc/69/97/38/757699738.db2.gz SRIDLNUQOHGZDN-JZIMQPMSSA-N 1 1 347.394 0.897 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C1 ZINC001049015680 757701154 /nfs/dbraw/zinc/70/11/54/757701154.db2.gz VAFXGMJOLYAXCA-IYBDPMFKSA-N 1 1 349.394 0.846 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccnc3c2nnn3C)C1 ZINC001021655130 757745466 /nfs/dbraw/zinc/74/54/66/757745466.db2.gz AKSWQLLFMUQTHE-ZFWWWQNUSA-N 1 1 338.415 0.923 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnnn4C)C[C@@H]3C2)c1 ZINC001049047866 757774327 /nfs/dbraw/zinc/77/43/27/757774327.db2.gz UGQJUHLYRYKEDA-IYBDPMFKSA-N 1 1 336.399 0.395 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021693022 757795550 /nfs/dbraw/zinc/79/55/50/757795550.db2.gz XEGRZGDCVBVBKP-ZFWWWQNUSA-N 1 1 331.416 0.375 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](CC(N)=O)CC[C@H]32)nc1 ZINC001021718590 757858190 /nfs/dbraw/zinc/85/81/90/757858190.db2.gz ZRRBCHDTGHAQKO-GDBMZVCRSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(N)=O)CC[C@H]32)nc1 ZINC001021718590 757858197 /nfs/dbraw/zinc/85/81/97/757858197.db2.gz ZRRBCHDTGHAQKO-GDBMZVCRSA-N 1 1 326.400 0.475 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001021728759 757869654 /nfs/dbraw/zinc/86/96/54/757869654.db2.gz VRVMJQBAXQAJCN-UONOGXRCSA-N 1 1 346.431 0.263 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001076996502 757896881 /nfs/dbraw/zinc/89/68/81/757896881.db2.gz AFPHSZJFIDEGKN-APHBMKBZSA-N 1 1 334.420 0.197 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@H]2C1 ZINC001049092920 757943414 /nfs/dbraw/zinc/94/34/14/757943414.db2.gz QDZVNPQPHVRGBD-SOUVJXGZSA-N 1 1 326.462 0.778 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)COC)C[C@@H]3C2)nn1 ZINC001049108805 757982421 /nfs/dbraw/zinc/98/24/21/757982421.db2.gz BLQQYUNGQGHVLT-SOUVJXGZSA-N 1 1 333.436 0.893 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@@H]2C1 ZINC001049111106 757986360 /nfs/dbraw/zinc/98/63/60/757986360.db2.gz KKRPVBHHLZDHRI-FSDCSDTHSA-N 1 1 345.447 0.687 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@H]2C1 ZINC001049111106 757986368 /nfs/dbraw/zinc/98/63/68/757986368.db2.gz KKRPVBHHLZDHRI-FSDCSDTHSA-N 1 1 345.447 0.687 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001049111612 757987481 /nfs/dbraw/zinc/98/74/81/757987481.db2.gz OXGKJCSTOPQRBC-JYJNAYRXSA-N 1 1 335.448 0.162 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(CNC(C)=O)o3)C[C@H]2C1 ZINC001049116705 758010926 /nfs/dbraw/zinc/01/09/26/758010926.db2.gz YHWAMHQKKOTBJA-GASCZTMLSA-N 1 1 329.400 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)COCCC=C ZINC001077064632 758073407 /nfs/dbraw/zinc/07/34/07/758073407.db2.gz AZNJGJLAOBZTSF-HOTGVXAUSA-N 1 1 335.448 0.688 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)COCCC=C ZINC001077064632 758073411 /nfs/dbraw/zinc/07/34/11/758073411.db2.gz AZNJGJLAOBZTSF-HOTGVXAUSA-N 1 1 335.448 0.688 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)[nH]1 ZINC001021981229 758125862 /nfs/dbraw/zinc/12/58/62/758125862.db2.gz UDDMTNICCMXXDM-PHIMTYICSA-N 1 1 326.364 0.258 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001077087465 758152325 /nfs/dbraw/zinc/15/23/25/758152325.db2.gz IZTHGRXMYIVKSC-BZUAXINKSA-N 1 1 337.464 0.618 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCO3)CCC[C@@H]12 ZINC001107283479 758188782 /nfs/dbraw/zinc/18/87/82/758188782.db2.gz DTBIUVJCZDGQBZ-LZLYRXPVSA-N 1 1 336.432 0.412 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001051654674 762603323 /nfs/dbraw/zinc/60/33/23/762603323.db2.gz QQMDZZJXRJQBPO-CQSZACIVSA-N 1 1 344.419 0.731 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCOC3)CCC[C@@H]12 ZINC001107307520 758229041 /nfs/dbraw/zinc/22/90/41/758229041.db2.gz YYEHQIPXCMPEIK-JJRVBVJISA-N 1 1 334.420 0.023 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@H]3C2)nc1 ZINC001049177891 758234446 /nfs/dbraw/zinc/23/44/46/758234446.db2.gz TXBQCYWPOORVLG-GASCZTMLSA-N 1 1 338.411 0.345 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)COC)CCC[C@@H]12 ZINC001107321499 758265435 /nfs/dbraw/zinc/26/54/35/758265435.db2.gz QKBSMESANXWLQC-HDMKZQKVSA-N 1 1 337.464 0.932 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(C(C)=O)C3)C[C@H]2C1 ZINC001049194279 758270187 /nfs/dbraw/zinc/27/01/87/758270187.db2.gz OPJVVRUNZJQYKH-KFWWJZLASA-N 1 1 325.840 0.998 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc(F)cn1 ZINC001077124260 758283411 /nfs/dbraw/zinc/28/34/11/758283411.db2.gz PMRCUCOILLCSOY-BBRMVZONSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc(F)cn1 ZINC001077124260 758283418 /nfs/dbraw/zinc/28/34/18/758283418.db2.gz PMRCUCOILLCSOY-BBRMVZONSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C)nn1C ZINC001077124359 758284609 /nfs/dbraw/zinc/28/46/09/758284609.db2.gz TYJOHXWBCGKDQQ-ZFWWWQNUSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C)nn1C ZINC001077124359 758284615 /nfs/dbraw/zinc/28/46/15/758284615.db2.gz TYJOHXWBCGKDQQ-ZFWWWQNUSA-N 1 1 345.447 0.451 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]2C1 ZINC001049200929 758286500 /nfs/dbraw/zinc/28/65/00/758286500.db2.gz ZLCQLTFOURKZSZ-BETUJISGSA-N 1 1 334.420 0.283 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001077125458 758290259 /nfs/dbraw/zinc/29/02/59/758290259.db2.gz VNDLMQWKQAOTFS-IKGGRYGDSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@]1(C)CCCOC1 ZINC001077125403 758290823 /nfs/dbraw/zinc/29/08/23/758290823.db2.gz UMGYISMJVQYVBI-BXWFABGCSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@]1(C)CCCOC1 ZINC001077125403 758290832 /nfs/dbraw/zinc/29/08/32/758290832.db2.gz UMGYISMJVQYVBI-BXWFABGCSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H](C)COC ZINC001077125593 758293406 /nfs/dbraw/zinc/29/34/06/758293406.db2.gz YODNUCJYLYQTGQ-JYJNAYRXSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H](C)COC ZINC001077125593 758293412 /nfs/dbraw/zinc/29/34/12/758293412.db2.gz YODNUCJYLYQTGQ-JYJNAYRXSA-N 1 1 337.464 0.768 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001077139129 758295772 /nfs/dbraw/zinc/29/57/72/758295772.db2.gz YMSCGAWPGUUHKQ-ZIAGYGMSSA-N 1 1 331.372 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2ncc(C)o2)C1 ZINC001051660155 762617567 /nfs/dbraw/zinc/61/75/67/762617567.db2.gz MQHIZMXKJBZIBJ-HOTGVXAUSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2ncc(C)o2)C1 ZINC001051660155 762617570 /nfs/dbraw/zinc/61/75/70/762617570.db2.gz MQHIZMXKJBZIBJ-HOTGVXAUSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cscn2)C1 ZINC001051660519 762619078 /nfs/dbraw/zinc/61/90/78/762619078.db2.gz VULDLWYFEGTTCE-CVEARBPZSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001077147406 758341682 /nfs/dbraw/zinc/34/16/82/758341682.db2.gz NQCLZQKRBNTTFK-KBAYOESNSA-N 1 1 328.412 0.910 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNc1ccnc(C#N)n1 ZINC001107346906 758359539 /nfs/dbraw/zinc/35/95/39/758359539.db2.gz XCUIKEBEWJOLPX-RDFMZFSFSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N3CCOCC3)C[C@H]2C1 ZINC001049226018 758379947 /nfs/dbraw/zinc/37/99/47/758379947.db2.gz CZGXSHOWWTTZDU-FGTMMUONSA-N 1 1 331.460 0.511 20 30 ECEDMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077162136 758387272 /nfs/dbraw/zinc/38/72/72/758387272.db2.gz FEYVVZKXYPHWMH-DXEWXGHRSA-N 1 1 345.399 0.023 20 30 ECEDMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077162136 758387283 /nfs/dbraw/zinc/38/72/83/758387283.db2.gz FEYVVZKXYPHWMH-DXEWXGHRSA-N 1 1 345.399 0.023 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001077163332 758390841 /nfs/dbraw/zinc/39/08/41/758390841.db2.gz LXQBAWXEBHOHRN-LVQVYYBASA-N 1 1 335.448 0.515 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001077163332 758390851 /nfs/dbraw/zinc/39/08/51/758390851.db2.gz LXQBAWXEBHOHRN-LVQVYYBASA-N 1 1 335.448 0.515 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCOC)CC2 ZINC001107373765 758398821 /nfs/dbraw/zinc/39/88/21/758398821.db2.gz AOKUXGOAIMIJBO-CRAIPNDOSA-N 1 1 335.448 0.523 20 30 ECEDMO Cc1nc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)co1 ZINC001107373941 758398991 /nfs/dbraw/zinc/39/89/91/758398991.db2.gz GUTDBCVOVUDCJZ-RHSMWYFYSA-N 1 1 345.403 0.597 20 30 ECEDMO CO[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2)C1CC1 ZINC001107390188 758417779 /nfs/dbraw/zinc/41/77/79/758417779.db2.gz YHCCNEDKHYPNOC-QGPMSJSTSA-N 1 1 348.447 0.412 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3ccc(C(N)=O)cc3)C[C@H]2C1 ZINC001049243652 758420547 /nfs/dbraw/zinc/42/05/47/758420547.db2.gz YOUHMYCSTLDFGB-CALCHBBNSA-N 1 1 325.412 0.742 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001077188491 758453448 /nfs/dbraw/zinc/45/34/48/758453448.db2.gz HQBQFYHARXDMFC-CHWSQXEVSA-N 1 1 326.347 0.255 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1=O ZINC001022231006 758455819 /nfs/dbraw/zinc/45/58/19/758455819.db2.gz OCIDPKVJHKVGBS-XLWJZTARSA-N 1 1 343.431 0.537 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001049267805 758458726 /nfs/dbraw/zinc/45/87/26/758458726.db2.gz DUAWPFKLFPBCHJ-PMPSAXMXSA-N 1 1 339.480 0.961 20 30 ECEDMO COC1CC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077193648 758475642 /nfs/dbraw/zinc/47/56/42/758475642.db2.gz LLCSLRMJVUXGQY-BHUNQDJPSA-N 1 1 329.400 0.645 20 30 ECEDMO COC1CC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077193648 758475644 /nfs/dbraw/zinc/47/56/44/758475644.db2.gz LLCSLRMJVUXGQY-BHUNQDJPSA-N 1 1 329.400 0.645 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CNS(=O)(=O)CC)CCC[C@@H]12 ZINC001107426201 758535372 /nfs/dbraw/zinc/53/53/72/758535372.db2.gz ILDINFMNQQZMHW-GDBMZVCRSA-N 1 1 343.493 0.863 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCNC3=O)CCC[C@@H]12 ZINC001107436283 758562345 /nfs/dbraw/zinc/56/23/45/758562345.db2.gz TXBAQHFOIXLDDN-GPMSIDNRSA-N 1 1 347.459 0.523 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3C(=O)CCC3=O)CCC[C@@H]12 ZINC001107429844 758570681 /nfs/dbraw/zinc/57/06/81/758570681.db2.gz VTKIBSMZNSGTIJ-PMUMKWKESA-N 1 1 331.416 0.518 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCN1C(=O)CNC1=O ZINC001049374077 758586039 /nfs/dbraw/zinc/58/60/39/758586039.db2.gz XQICMCOACNXJPI-MGPQQGTHSA-N 1 1 347.419 0.153 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)C1 ZINC001107466053 758624171 /nfs/dbraw/zinc/62/41/71/758624171.db2.gz UQRPXGYUDCGPRP-ABCZVMIZSA-N 1 1 344.419 0.542 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)N2CCC2)c1 ZINC001049401186 758634150 /nfs/dbraw/zinc/63/41/50/758634150.db2.gz MSJXELDZRLHNRM-HZPDHXFCSA-N 1 1 341.415 0.798 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(=O)NC(C)C)CCC[C@@H]12 ZINC001107464013 758644432 /nfs/dbraw/zinc/64/44/32/758644432.db2.gz KKYFCMWSWAZENF-VQIMIIECSA-N 1 1 348.491 0.437 20 30 ECEDMO N#Cc1ccc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(F)c1 ZINC001127779263 758644589 /nfs/dbraw/zinc/64/45/89/758644589.db2.gz KIJQQJDJOKYFJS-RDJZCZTQSA-N 1 1 346.406 0.766 20 30 ECEDMO N#Cc1ccc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(F)c1 ZINC001127779263 758644597 /nfs/dbraw/zinc/64/45/97/758644597.db2.gz KIJQQJDJOKYFJS-RDJZCZTQSA-N 1 1 346.406 0.766 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C#N)[nH]1 ZINC001049426467 758671070 /nfs/dbraw/zinc/67/10/70/758671070.db2.gz VXPKMUZKUFLDHW-HZPDHXFCSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C#N)[nH]1 ZINC001049426467 758671072 /nfs/dbraw/zinc/67/10/72/758671072.db2.gz VXPKMUZKUFLDHW-HZPDHXFCSA-N 1 1 339.403 0.894 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001077296406 758723803 /nfs/dbraw/zinc/72/38/03/758723803.db2.gz JARJDCARVGVIPM-GHMZBOCLSA-N 1 1 332.326 0.790 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001077296406 758723812 /nfs/dbraw/zinc/72/38/12/758723812.db2.gz JARJDCARVGVIPM-GHMZBOCLSA-N 1 1 332.326 0.790 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CCC)OC)CCC[C@@H]12 ZINC001107496521 758752153 /nfs/dbraw/zinc/75/21/53/758752153.db2.gz CJQCMLKJDMBNBQ-GPMSIDNRSA-N 1 1 349.475 0.912 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001049482310 758791707 /nfs/dbraw/zinc/79/17/07/758791707.db2.gz MHCFHSBZLVSBCR-OLZOCXBDSA-N 1 1 332.408 0.018 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3sccn3c2=O)C1 ZINC001077335146 758839993 /nfs/dbraw/zinc/83/99/93/758839993.db2.gz BUKDYDWHHKKOEX-VXGBXAGGSA-N 1 1 334.401 0.107 20 30 ECEDMO C=C(Br)CN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573701 758865073 /nfs/dbraw/zinc/86/50/73/758865073.db2.gz RUVGNIFXNSNBOQ-AGIUHOORSA-N 1 1 346.269 0.541 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc(OC)cc(OC)n1 ZINC001049557914 758920444 /nfs/dbraw/zinc/92/04/44/758920444.db2.gz LMUGILKTUWMEOZ-QWHCGFSZSA-N 1 1 330.388 0.806 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001049583500 758960863 /nfs/dbraw/zinc/96/08/63/758960863.db2.gz WFVBWHGBMRZKGT-HRCADAONSA-N 1 1 338.473 0.900 20 30 ECEDMO N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049613521 758994063 /nfs/dbraw/zinc/99/40/63/758994063.db2.gz XOILOFGWUGMIHS-DSZOFWSKSA-N 1 1 330.432 0.438 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)C(=O)N1 ZINC001049636110 759033845 /nfs/dbraw/zinc/03/38/45/759033845.db2.gz PEPLCWFCHYKRQO-JHJVBQTASA-N 1 1 326.828 0.828 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)C(=O)N1 ZINC001049636110 759033850 /nfs/dbraw/zinc/03/38/50/759033850.db2.gz PEPLCWFCHYKRQO-JHJVBQTASA-N 1 1 326.828 0.828 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049636416 759034020 /nfs/dbraw/zinc/03/40/20/759034020.db2.gz CHDXZTZLJXGRDQ-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)N(C)C)c1 ZINC001049706172 759116325 /nfs/dbraw/zinc/11/63/25/759116325.db2.gz HNHOKOBQZFAOKG-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)N(C)C)c1 ZINC001049706172 759116329 /nfs/dbraw/zinc/11/63/29/759116329.db2.gz HNHOKOBQZFAOKG-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001049780491 759196246 /nfs/dbraw/zinc/19/62/46/759196246.db2.gz HFJQOKCQMCTDMC-MGPQQGTHSA-N 1 1 327.450 0.272 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049810326 759242321 /nfs/dbraw/zinc/24/23/21/759242321.db2.gz DHHZEUUQAZMUHG-ZIAGYGMSSA-N 1 1 332.404 0.990 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cnccc1=O ZINC001049815723 759247268 /nfs/dbraw/zinc/24/72/68/759247268.db2.gz GABIHBPOKJGESU-JKSUJKDBSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(N2CCOCC2)CCC1 ZINC001049829946 759264255 /nfs/dbraw/zinc/26/42/55/759264255.db2.gz VBEOWNRPPCVBIH-IAGOWNOFSA-N 1 1 331.460 0.940 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049830794 759265733 /nfs/dbraw/zinc/26/57/33/759265733.db2.gz IABQNKQWAAWMGO-LSDHHAIUSA-N 1 1 348.447 0.960 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccn2c(=O)[nH]nc12 ZINC001049839995 759280612 /nfs/dbraw/zinc/28/06/12/759280612.db2.gz LILHZUULYPISEH-KGLIPLIRSA-N 1 1 325.372 0.747 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)NC)cn1 ZINC001049854019 759305613 /nfs/dbraw/zinc/30/56/13/759305613.db2.gz IORGLXOXEYGMER-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)NC)cn1 ZINC001049854019 759305621 /nfs/dbraw/zinc/30/56/21/759305621.db2.gz IORGLXOXEYGMER-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001047635662 759362693 /nfs/dbraw/zinc/36/26/93/759362693.db2.gz YUHDRSZHTBXSPR-XYJFISCASA-N 1 1 328.412 0.744 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001047635662 759362704 /nfs/dbraw/zinc/36/27/04/759362704.db2.gz YUHDRSZHTBXSPR-XYJFISCASA-N 1 1 328.412 0.744 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001047637989 759372480 /nfs/dbraw/zinc/37/24/80/759372480.db2.gz WLABHBFIPCOAID-YESZJQIVSA-N 1 1 337.464 0.177 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001047640736 759382684 /nfs/dbraw/zinc/38/26/84/759382684.db2.gz DDITWCUASGUFLB-GJZGRUSLSA-N 1 1 330.388 0.582 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001047640736 759382695 /nfs/dbraw/zinc/38/26/95/759382695.db2.gz DDITWCUASGUFLB-GJZGRUSLSA-N 1 1 330.388 0.582 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)COc1cccc(C(N)=O)c1 ZINC001049906956 759390145 /nfs/dbraw/zinc/39/01/45/759390145.db2.gz AZMILTQXLUHIFM-SJORKVTESA-N 1 1 341.411 0.863 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001047648743 759406394 /nfs/dbraw/zinc/40/63/94/759406394.db2.gz BEMSTFANSJUNQE-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001047648743 759406399 /nfs/dbraw/zinc/40/63/99/759406399.db2.gz BEMSTFANSJUNQE-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)coc2C)C1 ZINC000991136351 759413932 /nfs/dbraw/zinc/41/39/32/759413932.db2.gz UGZRDLVXUWEHQQ-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)coc2C)C1 ZINC000991136351 759413935 /nfs/dbraw/zinc/41/39/35/759413935.db2.gz UGZRDLVXUWEHQQ-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001054243084 767858198 /nfs/dbraw/zinc/85/81/98/767858198.db2.gz WNDOWLHLUTUULQ-ZBFHGGJFSA-N 1 1 339.461 0.016 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001054243271 767858351 /nfs/dbraw/zinc/85/83/51/767858351.db2.gz DEQZCYWYPKLVRH-NVXWUHKLSA-N 1 1 338.473 0.901 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001049998601 759523074 /nfs/dbraw/zinc/52/30/74/759523074.db2.gz ISDFZFYFMACQES-YHUYYLMFSA-N 1 1 348.447 0.052 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001054250065 767868629 /nfs/dbraw/zinc/86/86/29/767868629.db2.gz KNYJLTAAGRNREG-KBXCAEBGSA-N 1 1 333.432 0.930 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H](O)C1 ZINC001083624017 759555159 /nfs/dbraw/zinc/55/51/59/759555159.db2.gz KZIHVKGQWAMYDC-CVEARBPZSA-N 1 1 327.384 0.370 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC001050025887 759566342 /nfs/dbraw/zinc/56/63/42/759566342.db2.gz JJTSFINGWQGNGQ-VBNZEHGJSA-N 1 1 341.415 0.653 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001054250618 767871686 /nfs/dbraw/zinc/87/16/86/767871686.db2.gz XYDAJNGFDJZWJV-RDTXWAMCSA-N 1 1 331.416 0.377 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001050047748 759614074 /nfs/dbraw/zinc/61/40/74/759614074.db2.gz PPCSQHCADDWMEY-OFQRWUPVSA-N 1 1 341.415 0.319 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)cc1 ZINC001050108174 759721618 /nfs/dbraw/zinc/72/16/18/759721618.db2.gz SVLDNGXELQNSRZ-DLBZAZTESA-N 1 1 325.412 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)cc1 ZINC001050108174 759721623 /nfs/dbraw/zinc/72/16/23/759721623.db2.gz SVLDNGXELQNSRZ-DLBZAZTESA-N 1 1 325.412 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC000944632420 759739788 /nfs/dbraw/zinc/73/97/88/759739788.db2.gz VPRTYOSFIIESQT-CVEARBPZSA-N 1 1 344.415 0.070 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC000944632420 759739793 /nfs/dbraw/zinc/73/97/93/759739793.db2.gz VPRTYOSFIIESQT-CVEARBPZSA-N 1 1 344.415 0.070 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccnc4c3nnn4C)[C@@H]2C1 ZINC001050125676 759759338 /nfs/dbraw/zinc/75/93/38/759759338.db2.gz DLQICPTXBSPTOR-DZGCQCFKSA-N 1 1 338.415 0.923 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([C@H](C)[NH2+]Cc3nnn(C)n3)C2)cn1 ZINC001048034997 759864081 /nfs/dbraw/zinc/86/40/81/759864081.db2.gz QYTWJOYIDSIESV-JSGCOSHPSA-N 1 1 339.403 0.227 20 30 ECEDMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC000995646636 759924184 /nfs/dbraw/zinc/92/41/84/759924184.db2.gz DROQFJFMYZSLOZ-GFCCVEGCSA-N 1 1 328.380 0.050 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1 ZINC001050200888 759926410 /nfs/dbraw/zinc/92/64/10/759926410.db2.gz UDMTVDNSNLGSEY-GXTWGEPZSA-N 1 1 330.388 0.046 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993014956 767904833 /nfs/dbraw/zinc/90/48/33/767904833.db2.gz OEYQXBWSAIRADQ-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ncsc2C(F)(F)F)[C@@H](O)C1 ZINC001083638203 760024786 /nfs/dbraw/zinc/02/47/86/760024786.db2.gz FISSMHUVJFBZLM-BDAKNGLRSA-N 1 1 333.335 0.960 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ncsc2C(F)(F)F)[C@@H](O)C1 ZINC001083638203 760024799 /nfs/dbraw/zinc/02/47/99/760024799.db2.gz FISSMHUVJFBZLM-BDAKNGLRSA-N 1 1 333.335 0.960 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001050314286 760108258 /nfs/dbraw/zinc/10/82/58/760108258.db2.gz VBQFPQLQDWLABS-LSDHHAIUSA-N 1 1 334.420 0.747 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3ccc(F)cc3O2)[C@@H](O)C1 ZINC001083641925 760194624 /nfs/dbraw/zinc/19/46/24/760194624.db2.gz IIWCPGSBBHDLNE-OWCLPIDISA-N 1 1 332.375 0.704 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1c1cnc(C#N)cn1 ZINC001050454178 760289415 /nfs/dbraw/zinc/28/94/15/760289415.db2.gz FRVGCQNRLWYLTD-IPYPFGDCSA-N 1 1 328.420 0.773 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001012564716 760299351 /nfs/dbraw/zinc/29/93/51/760299351.db2.gz FXKQHJIDWRUCNP-OAGGEKHMSA-N 1 1 335.448 0.590 20 30 ECEDMO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C ZINC000995704789 760442172 /nfs/dbraw/zinc/44/21/72/760442172.db2.gz HGOBEHRBSVLDHE-CYBMUJFWSA-N 1 1 327.392 0.655 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083722882 767951523 /nfs/dbraw/zinc/95/15/23/767951523.db2.gz MIYIDASZKULPSI-SQNIBIBYSA-N 1 1 333.476 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncc(Cl)c2)C1 ZINC000995729895 760538893 /nfs/dbraw/zinc/53/88/93/760538893.db2.gz SAUWGQSOIAOZSZ-HNNXBMFYSA-N 1 1 346.818 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncc(Cl)c2)C1 ZINC000995729895 760538901 /nfs/dbraw/zinc/53/89/01/760538901.db2.gz SAUWGQSOIAOZSZ-HNNXBMFYSA-N 1 1 346.818 0.773 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH2+]Cc3nnn(C)n3)C2)cn1 ZINC001048451986 760553547 /nfs/dbraw/zinc/55/35/47/760553547.db2.gz IEXIFOUZLFFODH-GXTWGEPZSA-N 1 1 339.403 0.084 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001054410584 767963593 /nfs/dbraw/zinc/96/35/93/767963593.db2.gz WFIUFGYKKUIVOW-HZSPNIEDSA-N 1 1 328.420 0.806 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC001127061893 760623226 /nfs/dbraw/zinc/62/32/26/760623226.db2.gz XIXXKLUIPYDZJH-LBPRGKRZSA-N 1 1 347.444 0.788 20 30 ECEDMO C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050667323 760646800 /nfs/dbraw/zinc/64/68/00/760646800.db2.gz WZYFBXKQXMZZDF-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001048533081 760671756 /nfs/dbraw/zinc/67/17/56/760671756.db2.gz PGNFYSJYBUFERG-MHORFTMASA-N 1 1 333.476 0.826 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001106224092 767971648 /nfs/dbraw/zinc/97/16/48/767971648.db2.gz POUWROZQQHREDY-ZIAGYGMSSA-N 1 1 333.436 0.329 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1O ZINC001048540538 760684639 /nfs/dbraw/zinc/68/46/39/760684639.db2.gz WYZWFWHXGAJAAD-FZKCQIBNSA-N 1 1 337.464 0.713 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)c1 ZINC001048561973 760720925 /nfs/dbraw/zinc/72/09/25/760720925.db2.gz FTAPBONIABRDEM-QIJZBDPFSA-N 1 1 340.427 0.910 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001050729256 760743749 /nfs/dbraw/zinc/74/37/49/760743749.db2.gz PIAMCGIRBGWGAG-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001048588694 760762706 /nfs/dbraw/zinc/76/27/06/760762706.db2.gz LNMSDMRJCREITO-XGUBFFRZSA-N 1 1 341.477 0.613 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001048590240 760766430 /nfs/dbraw/zinc/76/64/30/760766430.db2.gz SNRUYCMULMPFED-YVSFHVDLSA-N 1 1 333.432 0.226 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1ccc(C#N)nc1 ZINC001048612574 760791376 /nfs/dbraw/zinc/79/13/76/760791376.db2.gz DGOKOUJGNYRQIB-BBWFWOEESA-N 1 1 343.431 0.757 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1ccc(C#N)nc1 ZINC001048612574 760791380 /nfs/dbraw/zinc/79/13/80/760791380.db2.gz DGOKOUJGNYRQIB-BBWFWOEESA-N 1 1 343.431 0.757 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCN(CC(=O)NC)CC3)CC1 ZINC001050765835 760807626 /nfs/dbraw/zinc/80/76/26/760807626.db2.gz YEDNARAZFZFRGG-UHFFFAOYSA-N 1 1 346.475 0.002 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995913853 760809159 /nfs/dbraw/zinc/80/91/59/760809159.db2.gz ATIPQPGWCKGBJX-LSDHHAIUSA-N 1 1 344.463 0.239 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4cccn4)C[C@H]3C2)C1=O ZINC001048682224 760927165 /nfs/dbraw/zinc/92/71/65/760927165.db2.gz UCHFFWZLGQCGAP-XHSDSOJGSA-N 1 1 343.431 0.060 20 30 ECEDMO O=C([C@H]1COCCO1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048689872 760941569 /nfs/dbraw/zinc/94/15/69/760941569.db2.gz DXAZOWPSFMDLJD-CEXWTWQISA-N 1 1 340.423 0.844 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC4N=NC(=O)N4C3)CCC[C@@H]12 ZINC000991444814 760973578 /nfs/dbraw/zinc/97/35/78/760973578.db2.gz GILHMXQDFFEZTG-PBFPGSCMSA-N 1 1 331.420 0.845 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2C1 ZINC001048724715 761046559 /nfs/dbraw/zinc/04/65/59/761046559.db2.gz DVKYMKZDQRNVES-APIJFGDWSA-N 1 1 332.448 0.936 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N3CCCCC3)C[C@@H]2C1 ZINC001048724766 761046645 /nfs/dbraw/zinc/04/66/45/761046645.db2.gz GHIWHFDZZNDQRL-FPCVCCKLSA-N 1 1 332.448 0.937 20 30 ECEDMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 ZINC001048725353 761048790 /nfs/dbraw/zinc/04/87/90/761048790.db2.gz QJOZKWIKSSNCRW-HONMWMINSA-N 1 1 344.419 0.515 20 30 ECEDMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 ZINC001048725353 761048800 /nfs/dbraw/zinc/04/88/00/761048800.db2.gz QJOZKWIKSSNCRW-HONMWMINSA-N 1 1 344.419 0.515 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4cc[nH]n4)C[C@H]3C2)C1=O ZINC001048737415 761082456 /nfs/dbraw/zinc/08/24/56/761082456.db2.gz VMABVGLGXFCIRQ-LZWOXQAQSA-N 1 1 343.431 0.129 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)Cc4ccn[nH]4)C[C@H]3C2)C1=O ZINC001048737415 761082465 /nfs/dbraw/zinc/08/24/65/761082465.db2.gz VMABVGLGXFCIRQ-LZWOXQAQSA-N 1 1 343.431 0.129 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4ccn[nH]4)C[C@H]3C2)C1=O ZINC001048737415 761082474 /nfs/dbraw/zinc/08/24/74/761082474.db2.gz VMABVGLGXFCIRQ-LZWOXQAQSA-N 1 1 343.431 0.129 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12 ZINC000991472499 761090193 /nfs/dbraw/zinc/09/01/93/761090193.db2.gz MEUFMVNLLQFTAG-VQIMIIECSA-N 1 1 348.491 0.840 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12 ZINC000991472496 761097673 /nfs/dbraw/zinc/09/76/73/761097673.db2.gz MEUFMVNLLQFTAG-APWZRJJASA-N 1 1 348.491 0.840 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1CNc1ccnc(C#N)n1 ZINC001060253834 761140551 /nfs/dbraw/zinc/14/05/51/761140551.db2.gz MXYQTOHDNGKKHC-CQSZACIVSA-N 1 1 339.403 0.768 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCCCO4)C[C@H]3C2)C1=O ZINC001048768174 761146651 /nfs/dbraw/zinc/14/66/51/761146651.db2.gz SGWKMYURUNPBEJ-VVLHAWIVSA-N 1 1 347.459 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCCCO4)C[C@H]3C2)C1=O ZINC001048768176 761146659 /nfs/dbraw/zinc/14/66/59/761146659.db2.gz SGWKMYURUNPBEJ-YYIAUSFCSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1ocnc1C ZINC001050961545 761229142 /nfs/dbraw/zinc/22/91/42/761229142.db2.gz CQCIYBWUGZORPP-CVEARBPZSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1ocnc1C ZINC001050961545 761229146 /nfs/dbraw/zinc/22/91/46/761229146.db2.gz CQCIYBWUGZORPP-CVEARBPZSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1conc1C ZINC001050963175 761230894 /nfs/dbraw/zinc/23/08/94/761230894.db2.gz WOLPLKPCIBIKGE-SJORKVTESA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1conc1C ZINC001050963175 761230899 /nfs/dbraw/zinc/23/08/99/761230899.db2.gz WOLPLKPCIBIKGE-SJORKVTESA-N 1 1 346.431 0.398 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)C1 ZINC001105731472 761394672 /nfs/dbraw/zinc/39/46/72/761394672.db2.gz QWJJCPXFPPRFOL-UHFFFAOYSA-N 1 1 347.459 0.570 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001054571646 768045707 /nfs/dbraw/zinc/04/57/07/768045707.db2.gz LLVKHRYRFQZZRM-RISCZKNCSA-N 1 1 342.407 0.704 20 30 ECEDMO C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001051188563 761647214 /nfs/dbraw/zinc/64/72/14/761647214.db2.gz LDJIHRAWFGBGHN-DOTOQJQBSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCCN1CCOC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001051189999 761651636 /nfs/dbraw/zinc/65/16/36/761651636.db2.gz UNNLRHFRZCRVMT-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1c1ccc(C#N)nc1 ZINC001051196738 761667760 /nfs/dbraw/zinc/66/77/60/761667760.db2.gz OENYGVAEXTZHCH-UTJXIGIESA-N 1 1 343.431 0.756 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1c1ccc(C#N)nc1 ZINC001051196738 761667763 /nfs/dbraw/zinc/66/77/63/761667763.db2.gz OENYGVAEXTZHCH-UTJXIGIESA-N 1 1 343.431 0.756 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(S(N)(=O)=O)o3)CCC[C@H]12 ZINC000991568399 761673241 /nfs/dbraw/zinc/67/32/41/761673241.db2.gz NWHDIMCKKLCVKS-SWLSCSKDSA-N 1 1 337.401 0.287 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001054603277 768072723 /nfs/dbraw/zinc/07/27/23/768072723.db2.gz LUSZWWKGIOODBF-FZMZJTMJSA-N 1 1 342.407 0.533 20 30 ECEDMO C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@H]3CNC(=O)N3)cccc2C1 ZINC001051298993 761850987 /nfs/dbraw/zinc/85/09/87/761850987.db2.gz CLWCLNITGAZKSZ-MRXNPFEDSA-N 1 1 328.416 0.918 20 30 ECEDMO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)cn1 ZINC001105929062 762854781 /nfs/dbraw/zinc/85/47/81/762854781.db2.gz ZWAJAFIJZQVUOY-RDJZCZTQSA-N 1 1 329.404 0.328 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cccn2nnnc12 ZINC001014579769 762857870 /nfs/dbraw/zinc/85/78/70/762857870.db2.gz MZNDVFWVRQAWFH-MRXNPFEDSA-N 1 1 346.394 0.980 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cccn2nnnc12 ZINC001014579769 762857877 /nfs/dbraw/zinc/85/78/77/762857877.db2.gz MZNDVFWVRQAWFH-MRXNPFEDSA-N 1 1 346.394 0.980 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001105935650 762892240 /nfs/dbraw/zinc/89/22/40/762892240.db2.gz VTIDDYFMJLRZEM-OAHLLOKOSA-N 1 1 348.451 0.749 20 30 ECEDMO C[C@@H](CCNc1ncc(C#N)cc1F)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001106293214 768092554 /nfs/dbraw/zinc/09/25/54/768092554.db2.gz BZYHZYHYKDKOKL-SMDDNHRTSA-N 1 1 335.383 0.730 20 30 ECEDMO C[C@@H](CCNc1ncc(C#N)cc1F)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001106293214 768092561 /nfs/dbraw/zinc/09/25/61/768092561.db2.gz BZYHZYHYKDKOKL-SMDDNHRTSA-N 1 1 335.383 0.730 20 30 ECEDMO O=C(C[C@@H]1CCNC1=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014709585 763022744 /nfs/dbraw/zinc/02/27/44/763022744.db2.gz BRMGBKZWRZXUQY-IRXDYDNUSA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(C[C@@H]1CCNC1=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014709585 763022748 /nfs/dbraw/zinc/02/27/48/763022748.db2.gz BRMGBKZWRZXUQY-IRXDYDNUSA-N 1 1 325.412 0.755 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001014711040 763025323 /nfs/dbraw/zinc/02/53/23/763025323.db2.gz LAQQNXIQVRTNKZ-CJNGLKHVSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001014711040 763025327 /nfs/dbraw/zinc/02/53/27/763025327.db2.gz LAQQNXIQVRTNKZ-CJNGLKHVSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046779459 763114235 /nfs/dbraw/zinc/11/42/35/763114235.db2.gz UAEBKFYXGQBDAY-MAUKXSAKSA-N 1 1 326.400 0.917 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)nc1 ZINC001046781634 763117806 /nfs/dbraw/zinc/11/78/06/763117806.db2.gz KZCPOSIXUWLEPP-KSSFIOAISA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)nc1 ZINC001046781634 763117810 /nfs/dbraw/zinc/11/78/10/763117810.db2.gz KZCPOSIXUWLEPP-KSSFIOAISA-N 1 1 340.383 0.062 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccnc(OC)n2)C1 ZINC001014770551 763126692 /nfs/dbraw/zinc/12/66/92/763126692.db2.gz RWAAKCNGMGTUHA-CVEARBPZSA-N 1 1 343.431 0.273 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccnc(OC)n2)C1 ZINC001014770551 763126696 /nfs/dbraw/zinc/12/66/96/763126696.db2.gz RWAAKCNGMGTUHA-CVEARBPZSA-N 1 1 343.431 0.273 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncnn2CCF)C1 ZINC001014770429 763127440 /nfs/dbraw/zinc/12/74/40/763127440.db2.gz QBILHVJHUUUIFI-GJZGRUSLSA-N 1 1 348.426 0.036 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncnn2CCF)C1 ZINC001014770429 763127443 /nfs/dbraw/zinc/12/74/43/763127443.db2.gz QBILHVJHUUUIFI-GJZGRUSLSA-N 1 1 348.426 0.036 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cccnc2OC)C1 ZINC001014770865 763128127 /nfs/dbraw/zinc/12/81/27/763128127.db2.gz UWBNMIINRIMMIM-IRXDYDNUSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cccnc2OC)C1 ZINC001014770865 763128132 /nfs/dbraw/zinc/12/81/32/763128132.db2.gz UWBNMIINRIMMIM-IRXDYDNUSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001014776556 763135933 /nfs/dbraw/zinc/13/59/33/763135933.db2.gz PBCRYIPMEVOMEZ-GJZGRUSLSA-N 1 1 342.447 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001014776556 763135939 /nfs/dbraw/zinc/13/59/39/763135939.db2.gz PBCRYIPMEVOMEZ-GJZGRUSLSA-N 1 1 342.447 0.470 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001105973184 763139608 /nfs/dbraw/zinc/13/96/08/763139608.db2.gz VZKQWFYHXCNTNN-HUUCEWRRSA-N 1 1 331.420 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(CC)no2)C1 ZINC001014780163 763140638 /nfs/dbraw/zinc/14/06/38/763140638.db2.gz QNTNKYKUXPFJPT-KGLIPLIRSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(CC)no2)C1 ZINC001014780163 763140639 /nfs/dbraw/zinc/14/06/39/763140639.db2.gz QNTNKYKUXPFJPT-KGLIPLIRSA-N 1 1 331.420 0.420 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ncccc3C#N)C2)C1 ZINC001046829674 763188268 /nfs/dbraw/zinc/18/82/68/763188268.db2.gz IQSXDMLEQUPNLJ-FVQBIDKESA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ncccc3C#N)C2)C1 ZINC001046829674 763188273 /nfs/dbraw/zinc/18/82/73/763188273.db2.gz IQSXDMLEQUPNLJ-FVQBIDKESA-N 1 1 343.431 0.981 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089858944 763288017 /nfs/dbraw/zinc/28/80/17/763288017.db2.gz NEDLWGCPCOURLT-QCNOEVLYSA-N 1 1 342.237 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nncs3)C2)nc1 ZINC001051908275 763302497 /nfs/dbraw/zinc/30/24/97/763302497.db2.gz HARFYOQAMPJKRM-CYBMUJFWSA-N 1 1 343.412 0.545 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001046891692 763316554 /nfs/dbraw/zinc/31/65/54/763316554.db2.gz XIJZJFWAQXDKEG-QAPCUYQASA-N 1 1 345.447 0.567 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC000991763917 763326201 /nfs/dbraw/zinc/32/62/01/763326201.db2.gz HNSUDFYTBREYKU-RDJZCZTQSA-N 1 1 346.431 0.890 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000940522865 763382391 /nfs/dbraw/zinc/38/23/91/763382391.db2.gz PKAHPLGMTFYHOC-HUUCEWRRSA-N 1 1 326.400 0.345 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3nccnc3C#N)C2)C1 ZINC001051947627 763418087 /nfs/dbraw/zinc/41/80/87/763418087.db2.gz IXUKNDAJSHLCPL-SSDMNJCBSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3nccnc3C#N)C2)C1 ZINC001051947627 763418088 /nfs/dbraw/zinc/41/80/88/763418088.db2.gz IXUKNDAJSHLCPL-SSDMNJCBSA-N 1 1 344.419 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(CCCC)n2)C1 ZINC001030462211 763436812 /nfs/dbraw/zinc/43/68/12/763436812.db2.gz LTPGDJKHQCWBRM-HNNXBMFYSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(CCCC)n2)C1 ZINC001030462211 763436817 /nfs/dbraw/zinc/43/68/17/763436817.db2.gz LTPGDJKHQCWBRM-HNNXBMFYSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C(C)C)[nH]2)C1 ZINC001030462310 763437153 /nfs/dbraw/zinc/43/71/53/763437153.db2.gz QHTCMCTXNCDULR-AWEZNQCLSA-N 1 1 330.436 0.326 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC001030463144 763442856 /nfs/dbraw/zinc/44/28/56/763442856.db2.gz DGIRJCFHULBLSD-WFASDCNBSA-N 1 1 343.431 0.906 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nc(C3CC3)no2)C1 ZINC001030463144 763442864 /nfs/dbraw/zinc/44/28/64/763442864.db2.gz DGIRJCFHULBLSD-WFASDCNBSA-N 1 1 343.431 0.906 20 30 ECEDMO COCC(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC001051956421 763444717 /nfs/dbraw/zinc/44/47/17/763444717.db2.gz NOHPNLDASSVRRB-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO COCC(=O)N1CC[C@@H](N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001051956421 763444726 /nfs/dbraw/zinc/44/47/26/763444726.db2.gz NOHPNLDASSVRRB-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001046951495 763447741 /nfs/dbraw/zinc/44/77/41/763447741.db2.gz MNUVYXMGKIPGDE-CHWSQXEVSA-N 1 1 327.375 0.609 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001046951497 763448008 /nfs/dbraw/zinc/44/80/08/763448008.db2.gz MNUVYXMGKIPGDE-QWHCGFSZSA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001046955568 763457393 /nfs/dbraw/zinc/45/73/93/763457393.db2.gz DBIIXUIYLQZHKT-OLZOCXBDSA-N 1 1 342.390 0.484 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001046955568 763457397 /nfs/dbraw/zinc/45/73/97/763457397.db2.gz DBIIXUIYLQZHKT-OLZOCXBDSA-N 1 1 342.390 0.484 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001046956651 763460315 /nfs/dbraw/zinc/46/03/15/763460315.db2.gz BOSCENZQESTVMO-ZDUSSCGKSA-N 1 1 340.374 0.850 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001046956651 763460321 /nfs/dbraw/zinc/46/03/21/763460321.db2.gz BOSCENZQESTVMO-ZDUSSCGKSA-N 1 1 340.374 0.850 20 30 ECEDMO C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046969034 763487804 /nfs/dbraw/zinc/48/78/04/763487804.db2.gz UPXBWASCMFPDPS-RYUDHWBXSA-N 1 1 330.379 0.707 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001046979074 763501050 /nfs/dbraw/zinc/50/10/50/763501050.db2.gz UFLNFGIKUGAUPG-QWRGUYRKSA-N 1 1 344.362 0.234 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001046985885 763516609 /nfs/dbraw/zinc/51/66/09/763516609.db2.gz JXYFAOVMPJQBNW-NEPJUHHUSA-N 1 1 337.374 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001046985885 763516613 /nfs/dbraw/zinc/51/66/13/763516613.db2.gz JXYFAOVMPJQBNW-NEPJUHHUSA-N 1 1 337.374 0.616 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001046991415 763525745 /nfs/dbraw/zinc/52/57/45/763525745.db2.gz FVPNPLJLWQZLEN-LSDHHAIUSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001046991415 763525748 /nfs/dbraw/zinc/52/57/48/763525748.db2.gz FVPNPLJLWQZLEN-LSDHHAIUSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001046991653 763525829 /nfs/dbraw/zinc/52/58/29/763525829.db2.gz JPGSICUTANSYIH-CQSZACIVSA-N 1 1 340.374 0.850 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001046991653 763525833 /nfs/dbraw/zinc/52/58/33/763525833.db2.gz JPGSICUTANSYIH-CQSZACIVSA-N 1 1 340.374 0.850 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001046993755 763530310 /nfs/dbraw/zinc/53/03/10/763530310.db2.gz WFKKXZBRZFGUMN-NSHDSACASA-N 1 1 336.342 0.501 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001046993755 763530314 /nfs/dbraw/zinc/53/03/14/763530314.db2.gz WFKKXZBRZFGUMN-NSHDSACASA-N 1 1 336.342 0.501 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001052006635 763572985 /nfs/dbraw/zinc/57/29/85/763572985.db2.gz QLTLTPWCQSNWGZ-MRXNPFEDSA-N 1 1 325.416 0.742 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnn3CC)C2)CC1 ZINC001052017811 763596194 /nfs/dbraw/zinc/59/61/94/763596194.db2.gz VSBDBQNLSPUHRU-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052032486 763635495 /nfs/dbraw/zinc/63/54/95/763635495.db2.gz HDUSFJOYWPMZKY-QGZVFWFLSA-N 1 1 329.448 0.123 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2nccc(OC)n2)C1 ZINC001047078689 763636738 /nfs/dbraw/zinc/63/67/38/763636738.db2.gz UYOANGPDBLMOKL-KKUMJFAQSA-N 1 1 343.431 0.890 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2nccc(OC)n2)C1 ZINC001047078689 763636744 /nfs/dbraw/zinc/63/67/44/763636744.db2.gz UYOANGPDBLMOKL-KKUMJFAQSA-N 1 1 343.431 0.890 20 30 ECEDMO COc1cc(CCC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)on1 ZINC001052035298 763640749 /nfs/dbraw/zinc/64/07/49/763640749.db2.gz GZFXTAARTQIVSV-CQSZACIVSA-N 1 1 347.419 0.358 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(C)nc3OC)C2)CC1 ZINC001052035780 763645473 /nfs/dbraw/zinc/64/54/73/763645473.db2.gz POCQOTQOESBJOC-HNNXBMFYSA-N 1 1 345.447 0.812 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001077574176 763647910 /nfs/dbraw/zinc/64/79/10/763647910.db2.gz DDHRGGHDVYVRLH-JHJVBQTASA-N 1 1 333.354 0.055 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052036930 763652078 /nfs/dbraw/zinc/65/20/78/763652078.db2.gz YKKISOFULYTPDC-DLBZAZTESA-N 1 1 346.475 0.145 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)ncn3C)C2)CC1 ZINC001052037429 763655477 /nfs/dbraw/zinc/65/54/77/763655477.db2.gz LYGANTANIQZAPC-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)CC1 ZINC001052040426 763661468 /nfs/dbraw/zinc/66/14/68/763661468.db2.gz AMMVZLWFPYRUKX-OAHLLOKOSA-N 1 1 329.404 0.038 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)n3cnc(C)c3)C2)CC1 ZINC001052040336 763661652 /nfs/dbraw/zinc/66/16/52/763661652.db2.gz CRSDVHLOVIMQIG-KRWDZBQOSA-N 1 1 343.475 0.778 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000941231878 763662278 /nfs/dbraw/zinc/66/22/78/763662278.db2.gz XIZWLDNCTWDRKQ-UONOGXRCSA-N 1 1 326.462 0.804 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052040725 763664387 /nfs/dbraw/zinc/66/43/87/763664387.db2.gz GEMQNHGMXQWYAB-SJORKVTESA-N 1 1 333.480 0.603 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCn4nccc43)C2)CC1 ZINC001052044978 763681223 /nfs/dbraw/zinc/68/12/23/763681223.db2.gz PFKWIOAICASOAI-DLBZAZTESA-N 1 1 341.459 0.612 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)no1 ZINC001106009843 763682068 /nfs/dbraw/zinc/68/20/68/763682068.db2.gz INHWKLCPJHSMPZ-CYBMUJFWSA-N 1 1 344.375 0.206 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cncc4[nH]ccc43)C2)CC1 ZINC001052046648 763687625 /nfs/dbraw/zinc/68/76/25/763687625.db2.gz BJKSWXOKMFGKKP-CQSZACIVSA-N 1 1 338.415 0.919 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)CC1 ZINC001052047633 763691111 /nfs/dbraw/zinc/69/11/11/763691111.db2.gz ULGLWPXTZCZASY-PKOBYXMFSA-N 1 1 339.439 0.842 20 30 ECEDMO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001015025866 763694814 /nfs/dbraw/zinc/69/48/14/763694814.db2.gz SIGQJYCEOQJQFU-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H](O)CNc1cc(C)ncc1C#N ZINC001106011345 763695467 /nfs/dbraw/zinc/69/54/67/763695467.db2.gz NYWZAHUWXCYBOJ-AWEZNQCLSA-N 1 1 333.436 0.303 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052050747 763708287 /nfs/dbraw/zinc/70/82/87/763708287.db2.gz YNEOXXFECWTUPK-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052575 763715238 /nfs/dbraw/zinc/71/52/38/763715238.db2.gz QJMGWOFLRHEQFX-KRWDZBQOSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052575 763715248 /nfs/dbraw/zinc/71/52/48/763715248.db2.gz QJMGWOFLRHEQFX-KRWDZBQOSA-N 1 1 329.448 0.814 20 30 ECEDMO Cc1ccn([C@@H](C)CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052060476 763740918 /nfs/dbraw/zinc/74/09/18/763740918.db2.gz FOCHXMYJPYEZBA-IRXDYDNUSA-N 1 1 344.463 0.885 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052060785 763741666 /nfs/dbraw/zinc/74/16/66/763741666.db2.gz MCAMVHYOLJNRLJ-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052060785 763741672 /nfs/dbraw/zinc/74/16/72/763741672.db2.gz MCAMVHYOLJNRLJ-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnc(OC)c3)C2)C1=O ZINC001015051518 763756189 /nfs/dbraw/zinc/75/61/89/763756189.db2.gz BMNMFMKXMGYWLZ-GJZGRUSLSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(OC)c3)C2)C1=O ZINC001015051518 763756194 /nfs/dbraw/zinc/75/61/94/763756194.db2.gz BMNMFMKXMGYWLZ-GJZGRUSLSA-N 1 1 344.415 0.681 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H]1C ZINC001088855128 763757955 /nfs/dbraw/zinc/75/79/55/763757955.db2.gz RDSPJJURXDEFJK-FXUDXRNXSA-N 1 1 333.432 0.369 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052068564 763762956 /nfs/dbraw/zinc/76/29/56/763762956.db2.gz JMYKOVFZKGIHDA-HUUCEWRRSA-N 1 1 342.447 0.076 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(CC)nnc3C)CC2)C1 ZINC000941501778 763783738 /nfs/dbraw/zinc/78/37/38/763783738.db2.gz HKXRAQLQBIROKQ-UHFFFAOYSA-N 1 1 329.448 0.975 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001015064202 763792443 /nfs/dbraw/zinc/79/24/43/763792443.db2.gz HUTNOWYMQRIGAJ-DOMZBBRYSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001015064202 763792446 /nfs/dbraw/zinc/79/24/46/763792446.db2.gz HUTNOWYMQRIGAJ-DOMZBBRYSA-N 1 1 331.420 0.563 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(=O)n3C)C2)CC1 ZINC001052081177 763797549 /nfs/dbraw/zinc/79/75/49/763797549.db2.gz KFQXSBZXXCLSIQ-MRXNPFEDSA-N 1 1 342.443 0.241 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)CC1 ZINC001052081638 763799391 /nfs/dbraw/zinc/79/93/91/763799391.db2.gz DCENQAAGCKEWJT-OAGGEKHMSA-N 1 1 334.464 0.115 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)CC1 ZINC001052081638 763799396 /nfs/dbraw/zinc/79/93/96/763799396.db2.gz DCENQAAGCKEWJT-OAGGEKHMSA-N 1 1 334.464 0.115 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)C2)CC1 ZINC001052082566 763801837 /nfs/dbraw/zinc/80/18/37/763801837.db2.gz UOSUQXNKGJMVEE-LSDHHAIUSA-N 1 1 342.447 0.572 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3nccn4ccnc34)CC2)C1 ZINC000941570809 763804948 /nfs/dbraw/zinc/80/49/48/763804948.db2.gz CCKXGIUIVKPSNB-UHFFFAOYSA-N 1 1 340.431 0.747 20 30 ECEDMO COc1cc(=O)[nH]cc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052087094 763816823 /nfs/dbraw/zinc/81/68/23/763816823.db2.gz YPVGCODGJALRND-CYBMUJFWSA-N 1 1 345.403 0.151 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C2)CC1 ZINC001052090256 763827107 /nfs/dbraw/zinc/82/71/07/763827107.db2.gz ZUDUFEMHEIUMDT-KRWDZBQOSA-N 1 1 342.443 0.008 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052093153 763837192 /nfs/dbraw/zinc/83/71/92/763837192.db2.gz KEBJQKUOFFGYQQ-ZWKOTPCHSA-N 1 1 347.507 0.991 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccn4ccnc34)C2)CC1 ZINC001052098934 763856353 /nfs/dbraw/zinc/85/63/53/763856353.db2.gz RDRHMBQESBANOE-MRXNPFEDSA-N 1 1 337.427 0.800 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106026475 763857804 /nfs/dbraw/zinc/85/78/04/763857804.db2.gz ITGFWJLIPGKUPN-LBPRGKRZSA-N 1 1 332.339 0.187 20 30 ECEDMO CN(C(=O)C1CCOCC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047278767 763868522 /nfs/dbraw/zinc/86/85/22/763868522.db2.gz XVLROCBXIAAGFE-ROUUACIJSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)C1CCOCC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047278767 763868532 /nfs/dbraw/zinc/86/85/32/763868532.db2.gz XVLROCBXIAAGFE-ROUUACIJSA-N 1 1 343.427 0.988 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052105310 763875801 /nfs/dbraw/zinc/87/58/01/763875801.db2.gz HVVJZMIJRBTVNR-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CCCCC3)C2)C1=O ZINC001047287648 763890748 /nfs/dbraw/zinc/89/07/48/763890748.db2.gz YGTVAJQQEDBHFZ-IKGGRYGDSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CCCCC3)C2)C1=O ZINC001047287648 763890757 /nfs/dbraw/zinc/89/07/57/763890757.db2.gz YGTVAJQQEDBHFZ-IKGGRYGDSA-N 1 1 349.475 0.857 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cncn3C)C2)CC1 ZINC001052113137 763911259 /nfs/dbraw/zinc/91/12/59/763911259.db2.gz MVTFWOHUGGTHQR-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052113367 763912446 /nfs/dbraw/zinc/91/24/46/763912446.db2.gz SYKGHQRLABKIOC-IBGZPJMESA-N 1 1 336.439 0.952 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3ccccc3=O)C2)CC1 ZINC001052117585 763928400 /nfs/dbraw/zinc/92/84/00/763928400.db2.gz UOLDUMFSILAHLP-KRWDZBQOSA-N 1 1 342.443 0.090 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cnn(C)c3)C2)CC1 ZINC001052119156 763935389 /nfs/dbraw/zinc/93/53/89/763935389.db2.gz LGAKYHZGAMVRAH-GOSISDBHSA-N 1 1 343.475 0.595 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(OCC)cn3)C2)CC1 ZINC001052125181 763952649 /nfs/dbraw/zinc/95/26/49/763952649.db2.gz LMVLVYYLWJJKAB-HNNXBMFYSA-N 1 1 345.447 0.893 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2CC(Nc3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001052124315 763952742 /nfs/dbraw/zinc/95/27/42/763952742.db2.gz HMVRTEWHZQRWIJ-XZNOPERXSA-N 1 1 328.420 0.995 20 30 ECEDMO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2noc(C)n2)[C@H](C)C1 ZINC001106034590 763992055 /nfs/dbraw/zinc/99/20/55/763992055.db2.gz HVBNTQUFMLNTSQ-MBNYWOFBSA-N 1 1 347.419 0.263 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1OC ZINC001212187526 764022415 /nfs/dbraw/zinc/02/24/15/764022415.db2.gz XJMQBXCJEFLXDK-HUUCEWRRSA-N 1 1 334.420 0.930 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC=CC3)C2)C1=O ZINC001047332155 764029661 /nfs/dbraw/zinc/02/96/61/764029661.db2.gz PPOMLXJDCUXPNE-JYJNAYRXSA-N 1 1 333.432 0.243 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC=CC3)C2)C1=O ZINC001047332155 764029665 /nfs/dbraw/zinc/02/96/65/764029665.db2.gz PPOMLXJDCUXPNE-JYJNAYRXSA-N 1 1 333.432 0.243 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001052206324 764052667 /nfs/dbraw/zinc/05/26/67/764052667.db2.gz GJNFZTWXSWTCHT-DZGCQCFKSA-N 1 1 334.420 0.605 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001052206357 764052829 /nfs/dbraw/zinc/05/28/29/764052829.db2.gz GREPTCFYKIOVPM-GJZGRUSLSA-N 1 1 325.453 0.740 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3=CCCC3)C2)C1=O ZINC001047347115 764068526 /nfs/dbraw/zinc/06/85/26/764068526.db2.gz KFQURCJWFZQVHV-JYJNAYRXSA-N 1 1 333.432 0.387 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3=CCCC3)C2)C1=O ZINC001047347115 764068528 /nfs/dbraw/zinc/06/85/28/764068528.db2.gz KFQURCJWFZQVHV-JYJNAYRXSA-N 1 1 333.432 0.387 20 30 ECEDMO Cc1cccnc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353839 764089560 /nfs/dbraw/zinc/08/95/60/764089560.db2.gz OSNNLRGCBXLJBC-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1cccnc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353839 764089567 /nfs/dbraw/zinc/08/95/67/764089567.db2.gz OSNNLRGCBXLJBC-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1nn(C)cc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047353610 764090403 /nfs/dbraw/zinc/09/04/03/764090403.db2.gz KLDVSRMYANLDQW-HOTGVXAUSA-N 1 1 342.403 0.246 20 30 ECEDMO Cc1nn(C)cc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047353610 764090407 /nfs/dbraw/zinc/09/04/07/764090407.db2.gz KLDVSRMYANLDQW-HOTGVXAUSA-N 1 1 342.403 0.246 20 30 ECEDMO Cc1ccncc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353888 764090454 /nfs/dbraw/zinc/09/04/54/764090454.db2.gz ROGBRKHBHJVZNO-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1ccncc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353888 764090461 /nfs/dbraw/zinc/09/04/61/764090461.db2.gz ROGBRKHBHJVZNO-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2Cl)[C@@H](O)C1 ZINC001083777814 764106178 /nfs/dbraw/zinc/10/61/78/764106178.db2.gz NSRAIGKRRYXTFV-OLZOCXBDSA-N 1 1 326.828 0.744 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047385514 764181822 /nfs/dbraw/zinc/18/18/22/764181822.db2.gz PWIQSSIWHMSPEE-QZWWFDLISA-N 1 1 348.447 0.368 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047387344 764185011 /nfs/dbraw/zinc/18/50/11/764185011.db2.gz KJLZGKNPOIQAEP-PMPSAXMXSA-N 1 1 349.475 0.550 20 30 ECEDMO CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001017615957 768196215 /nfs/dbraw/zinc/19/62/15/768196215.db2.gz BTNGVQLJIPFBPP-BBWFWOEESA-N 1 1 329.448 0.512 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)cc1 ZINC001032032477 764213183 /nfs/dbraw/zinc/21/31/83/764213183.db2.gz FAZONABMUGYSDU-QGZVFWFLSA-N 1 1 341.411 0.639 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2cccc3OC)C1 ZINC001047401655 764225665 /nfs/dbraw/zinc/22/56/65/764225665.db2.gz BNDFMEKBYXMHBO-HOTGVXAUSA-N 1 1 342.399 0.483 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2cccc3OC)C1 ZINC001047401655 764225668 /nfs/dbraw/zinc/22/56/68/764225668.db2.gz BNDFMEKBYXMHBO-HOTGVXAUSA-N 1 1 342.399 0.483 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)CC2)[nH]1 ZINC001052310092 764227009 /nfs/dbraw/zinc/22/70/09/764227009.db2.gz RZFWUCIHTZWHPF-ZDUSSCGKSA-N 1 1 327.392 0.762 20 30 ECEDMO C=CCn1cc(C(=O)NCC2C[NH+](CCn3cc(Cl)cn3)C2)nn1 ZINC001032035477 764229098 /nfs/dbraw/zinc/22/90/98/764229098.db2.gz AOLUVMKVVCELHA-UHFFFAOYSA-N 1 1 349.826 0.676 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc(C)nn3C)C2)C1=O ZINC001015252398 764239132 /nfs/dbraw/zinc/23/91/32/764239132.db2.gz HREZYLDWJCHVKH-GOEBONIOSA-N 1 1 345.447 0.248 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)nn3C)C2)C1=O ZINC001015252398 764239136 /nfs/dbraw/zinc/23/91/36/764239136.db2.gz HREZYLDWJCHVKH-GOEBONIOSA-N 1 1 345.447 0.248 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001047406163 764243138 /nfs/dbraw/zinc/24/31/38/764243138.db2.gz PTOSQGSOWQCYOV-GJZGRUSLSA-N 1 1 329.404 0.960 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 ZINC001047406183 764243448 /nfs/dbraw/zinc/24/34/48/764243448.db2.gz QSIPOIKXIRBGHJ-IHRRRGAJSA-N 1 1 348.451 0.058 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 ZINC001047406183 764243451 /nfs/dbraw/zinc/24/34/51/764243451.db2.gz QSIPOIKXIRBGHJ-IHRRRGAJSA-N 1 1 348.451 0.058 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001047413079 764266436 /nfs/dbraw/zinc/26/64/36/764266436.db2.gz VIKMIQHISDOQIP-TXPKVOOTSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001047413529 764268416 /nfs/dbraw/zinc/26/84/16/764268416.db2.gz LJLSCNVZJPYJLV-SZMVWBNQSA-N 1 1 327.428 0.747 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001047413529 764268424 /nfs/dbraw/zinc/26/84/24/764268424.db2.gz LJLSCNVZJPYJLV-SZMVWBNQSA-N 1 1 327.428 0.747 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ccc(C)cc23)C1 ZINC001047417026 764279807 /nfs/dbraw/zinc/27/98/07/764279807.db2.gz KFZRWJQAXKZNDA-IRXDYDNUSA-N 1 1 326.400 0.783 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ccc(C)cc23)C1 ZINC001047417026 764279810 /nfs/dbraw/zinc/27/98/10/764279810.db2.gz KFZRWJQAXKZNDA-IRXDYDNUSA-N 1 1 326.400 0.783 20 30 ECEDMO C=CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CNC(=O)N2)C1 ZINC000995275149 764282881 /nfs/dbraw/zinc/28/28/81/764282881.db2.gz SSJDQFTWBMRVPV-JKSUJKDBSA-N 1 1 343.431 0.600 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000995275142 764282949 /nfs/dbraw/zinc/28/29/49/764282949.db2.gz SSJDQFTWBMRVPV-CVEARBPZSA-N 1 1 343.431 0.600 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3nc(CC)oc3C)C2)C1=O ZINC001032046125 764289518 /nfs/dbraw/zinc/28/95/18/764289518.db2.gz ZSPZWKKAEOAFQI-CQSZACIVSA-N 1 1 346.431 0.994 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(OC)cc(OC)n2)C1 ZINC001047429475 764319106 /nfs/dbraw/zinc/31/91/06/764319106.db2.gz UWUBJOJSRQNSRC-RYUDHWBXSA-N 1 1 336.392 0.187 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CC)C1 ZINC001047433798 764333208 /nfs/dbraw/zinc/33/32/08/764333208.db2.gz LCYRVPJTKQANCU-XHSDSOJGSA-N 1 1 325.453 0.177 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CC)C1 ZINC001047433797 764333263 /nfs/dbraw/zinc/33/32/63/764333263.db2.gz LCYRVPJTKQANCU-JYJNAYRXSA-N 1 1 325.453 0.177 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001047434937 764335993 /nfs/dbraw/zinc/33/59/93/764335993.db2.gz BMQAEGJRGKCWRR-JQFCIGGWSA-N 1 1 332.448 0.903 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001047434937 764335994 /nfs/dbraw/zinc/33/59/94/764335994.db2.gz BMQAEGJRGKCWRR-JQFCIGGWSA-N 1 1 332.448 0.903 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001047439936 764350090 /nfs/dbraw/zinc/35/00/90/764350090.db2.gz YCOKYJYDIOPJTM-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(OC)cccc2OC)C1 ZINC001047445819 764369239 /nfs/dbraw/zinc/36/92/39/764369239.db2.gz MAQUQAURFFOFIE-HOTGVXAUSA-N 1 1 346.427 0.773 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(OC)cccc2OC)C1 ZINC001047445819 764369241 /nfs/dbraw/zinc/36/92/41/764369241.db2.gz MAQUQAURFFOFIE-HOTGVXAUSA-N 1 1 346.427 0.773 20 30 ECEDMO CN(C(=O)c1cncn1C)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047447283 764375364 /nfs/dbraw/zinc/37/53/64/764375364.db2.gz ZHNOLARFNJTNBF-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO CN(C(=O)c1cncn1C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047447283 764375371 /nfs/dbraw/zinc/37/53/71/764375371.db2.gz ZHNOLARFNJTNBF-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(=O)NC ZINC001099042706 764400106 /nfs/dbraw/zinc/40/01/06/764400106.db2.gz ABJLVPLSRBYVMP-GUYCJALGSA-N 1 1 325.453 0.666 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=O)NC ZINC001099042706 764400111 /nfs/dbraw/zinc/40/01/11/764400111.db2.gz ABJLVPLSRBYVMP-GUYCJALGSA-N 1 1 325.453 0.666 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnc3ccccc3n2)C1 ZINC001047458598 764407523 /nfs/dbraw/zinc/40/75/23/764407523.db2.gz VJPBAYGRXARTGB-GJZGRUSLSA-N 1 1 325.372 0.165 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(=O)[C@@H](C)CC)C2)nn1 ZINC001098784912 768211293 /nfs/dbraw/zinc/21/12/93/768211293.db2.gz MPUWOVNZZUKZKD-ZFWWWQNUSA-N 1 1 348.451 0.489 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001047468577 764428589 /nfs/dbraw/zinc/42/85/89/764428589.db2.gz KKLDBDIKUFMFGA-KKUMJFAQSA-N 1 1 333.436 0.229 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CCCC)C1 ZINC001047471015 764436510 /nfs/dbraw/zinc/43/65/10/764436510.db2.gz HOLQPMURNIYEBI-BBWFWOEESA-N 1 1 339.480 0.567 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001047473765 764445211 /nfs/dbraw/zinc/44/52/11/764445211.db2.gz XYGUHXHEGDHFEP-IHRRRGAJSA-N 1 1 330.450 0.033 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001047473765 764445221 /nfs/dbraw/zinc/44/52/21/764445221.db2.gz XYGUHXHEGDHFEP-IHRRRGAJSA-N 1 1 330.450 0.033 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001047479375 764466420 /nfs/dbraw/zinc/46/64/20/764466420.db2.gz OHTGAVGAJWCKCO-BPUTZDHNSA-N 1 1 327.384 0.249 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001047479375 764466425 /nfs/dbraw/zinc/46/64/25/764466425.db2.gz OHTGAVGAJWCKCO-BPUTZDHNSA-N 1 1 327.384 0.249 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)cc1 ZINC001047480760 764471504 /nfs/dbraw/zinc/47/15/04/764471504.db2.gz RFHXHGQGUPRBQU-ULQDDVLXSA-N 1 1 341.411 0.064 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)cc1 ZINC001047480760 764471512 /nfs/dbraw/zinc/47/15/12/764471512.db2.gz RFHXHGQGUPRBQU-ULQDDVLXSA-N 1 1 341.411 0.064 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H]1C ZINC001088920924 764476376 /nfs/dbraw/zinc/47/63/76/764476376.db2.gz FPTKRAKOQVCNDT-OCCSQVGLSA-N 1 1 327.388 0.547 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)ncn3C)C1 ZINC001047483250 764480941 /nfs/dbraw/zinc/48/09/41/764480941.db2.gz DZUVWFJSTBNICG-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)ncn3C)C1 ZINC001047483250 764480949 /nfs/dbraw/zinc/48/09/49/764480949.db2.gz DZUVWFJSTBNICG-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CNC(=O)C1 ZINC001015379983 764484844 /nfs/dbraw/zinc/48/48/44/764484844.db2.gz ZBNVFYVNAFXSJL-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CNC(=O)C1 ZINC001015379983 764484847 /nfs/dbraw/zinc/48/48/47/764484847.db2.gz ZBNVFYVNAFXSJL-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001047505551 764540487 /nfs/dbraw/zinc/54/04/87/764540487.db2.gz KYVOYBYGLDHHAE-SNPRPXQTSA-N 1 1 333.436 0.694 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ncc[nH]3)[C@H]2C)C1=O ZINC001088941677 764562709 /nfs/dbraw/zinc/56/27/09/764562709.db2.gz NZNMWHAWEWJGDV-HZSPNIEDSA-N 1 1 331.420 0.318 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](CC)OC)C[C@@H]2O)c1 ZINC001047520765 764577695 /nfs/dbraw/zinc/57/76/95/764577695.db2.gz BNZWSKMNDMVZRZ-IKGGRYGDSA-N 1 1 331.416 0.605 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)[C@H]1C ZINC001088947759 764580141 /nfs/dbraw/zinc/58/01/41/764580141.db2.gz RLDSFPUJDUGTAE-ILXRZTDVSA-N 1 1 331.420 0.531 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)[C@H]1C ZINC001088947759 764580145 /nfs/dbraw/zinc/58/01/45/764580145.db2.gz RLDSFPUJDUGTAE-ILXRZTDVSA-N 1 1 331.420 0.531 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001032114684 764619596 /nfs/dbraw/zinc/61/95/96/764619596.db2.gz JQUULLMAROVXEJ-CQSZACIVSA-N 1 1 344.415 0.587 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001047537222 764626884 /nfs/dbraw/zinc/62/68/84/764626884.db2.gz YUEYFIGCMUFLJD-KKUMJFAQSA-N 1 1 348.451 0.095 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CC(=O)NC2=O)C1 ZINC001089878853 764631719 /nfs/dbraw/zinc/63/17/19/764631719.db2.gz SOLKZPIIMGMEDM-AJNGGQMLSA-N 1 1 346.431 0.283 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nocc3C)[C@H]2C)C1=O ZINC001088962793 764632609 /nfs/dbraw/zinc/63/26/09/764632609.db2.gz XOTFBPQHWDPWBK-HZSPNIEDSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nocc3C)[C@H]2C)C1=O ZINC001088962793 764632612 /nfs/dbraw/zinc/63/26/12/764632612.db2.gz XOTFBPQHWDPWBK-HZSPNIEDSA-N 1 1 332.404 0.963 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@@H](C)NC(=O)CC[NH+]2CCOCC2)n1 ZINC001106382971 768228235 /nfs/dbraw/zinc/22/82/35/768228235.db2.gz LJEVDWBULCBJMB-CYBMUJFWSA-N 1 1 346.435 0.686 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001047546211 764652876 /nfs/dbraw/zinc/65/28/76/764652876.db2.gz YYTDTJJUJUHYAI-GJZGRUSLSA-N 1 1 326.318 0.783 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001047546211 764652880 /nfs/dbraw/zinc/65/28/80/764652880.db2.gz YYTDTJJUJUHYAI-GJZGRUSLSA-N 1 1 326.318 0.783 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(=O)(=O)C(C)C ZINC001099554227 764663028 /nfs/dbraw/zinc/66/30/28/764663028.db2.gz YIKIHCRHTHHZCL-JJXSEGSLSA-N 1 1 338.473 0.612 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnn(C(C)C)c3)C2)C1=O ZINC001032120822 764664707 /nfs/dbraw/zinc/66/47/07/764664707.db2.gz KYZSVRRUTXVOEJ-MRXNPFEDSA-N 1 1 345.447 0.913 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc(OC)nc1 ZINC001089884510 764682417 /nfs/dbraw/zinc/68/24/17/764682417.db2.gz UUSXZRJSTCZSBT-UKMLZYKCSA-N 1 1 326.400 0.901 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001015457771 764686700 /nfs/dbraw/zinc/68/67/00/764686700.db2.gz YPRRHAULQGLZBF-LBPRGKRZSA-N 1 1 330.396 0.464 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001015458834 764688454 /nfs/dbraw/zinc/68/84/54/764688454.db2.gz IBGORBALCVDWIA-AWEZNQCLSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(CC)cn3)[C@H]2C)C1=O ZINC001088985311 764704878 /nfs/dbraw/zinc/70/48/78/764704878.db2.gz RWBTUPGGJGWIQK-YCPHGPKFSA-N 1 1 345.447 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(CC)cn3)[C@H]2C)C1=O ZINC001088985311 764704886 /nfs/dbraw/zinc/70/48/86/764704886.db2.gz RWBTUPGGJGWIQK-YCPHGPKFSA-N 1 1 345.447 0.883 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001047565341 764706934 /nfs/dbraw/zinc/70/69/34/764706934.db2.gz IYGGFXNIJQXAMV-GJZGRUSLSA-N 1 1 335.404 0.609 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001047565341 764706940 /nfs/dbraw/zinc/70/69/40/764706940.db2.gz IYGGFXNIJQXAMV-GJZGRUSLSA-N 1 1 335.404 0.609 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001047568063 764714887 /nfs/dbraw/zinc/71/48/87/764714887.db2.gz HYJKYPNTIXUIKX-BQFCYCMXSA-N 1 1 328.412 0.907 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@@H]2C)cn1 ZINC001088990019 764715548 /nfs/dbraw/zinc/71/55/48/764715548.db2.gz AZJUQSYUENJIQI-DYVFJYSZSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@@H]2C)cn1 ZINC001088990019 764715559 /nfs/dbraw/zinc/71/55/59/764715559.db2.gz AZJUQSYUENJIQI-DYVFJYSZSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccccc2NC(C)=O)C1 ZINC001047569478 764720194 /nfs/dbraw/zinc/72/01/94/764720194.db2.gz YQCUFHHLGZSYGP-IRXDYDNUSA-N 1 1 329.400 0.324 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccccc2NC(C)=O)C1 ZINC001047569478 764720199 /nfs/dbraw/zinc/72/01/99/764720199.db2.gz YQCUFHHLGZSYGP-IRXDYDNUSA-N 1 1 329.400 0.324 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001052547394 764730598 /nfs/dbraw/zinc/73/05/98/764730598.db2.gz FOARBJYTQYTNKR-WBVHZDCISA-N 1 1 347.459 0.333 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001047581156 764767405 /nfs/dbraw/zinc/76/74/05/764767405.db2.gz KWJREZORIGRDPY-HOTGVXAUSA-N 1 1 341.415 0.417 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@H]1C ZINC001089020356 764781006 /nfs/dbraw/zinc/78/10/06/764781006.db2.gz FJOQRHZYRVTNAE-KGLIPLIRSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001047585753 764782977 /nfs/dbraw/zinc/78/29/77/764782977.db2.gz LPRGRVLTMABPSC-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001047585753 764782983 /nfs/dbraw/zinc/78/29/83/764782983.db2.gz LPRGRVLTMABPSC-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)nc3OC)C2)C1=O ZINC001015495247 764794689 /nfs/dbraw/zinc/79/46/89/764794689.db2.gz KICFKAIEMOLHKT-GXTWGEPZSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)nc3OC)C2)C1=O ZINC001015495247 764794692 /nfs/dbraw/zinc/79/46/92/764794692.db2.gz KICFKAIEMOLHKT-GXTWGEPZSA-N 1 1 347.419 0.020 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)CC1 ZINC001052589541 764811211 /nfs/dbraw/zinc/81/12/11/764811211.db2.gz KGXNEPGYGDUSAM-CABCVRRESA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2-c2ccon2)C1 ZINC001047598371 764833703 /nfs/dbraw/zinc/83/37/03/764833703.db2.gz JNMMPFWPBLCINJ-STQMWFEESA-N 1 1 330.344 0.470 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001047612449 764879661 /nfs/dbraw/zinc/87/96/61/764879661.db2.gz HMDDYNHFKCXJKT-RYUDHWBXSA-N 1 1 344.337 0.579 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047623824 764910484 /nfs/dbraw/zinc/91/04/84/764910484.db2.gz AUGBEQZLTZLIEQ-XIRDDKMYSA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3n[nH]c(C)n3)[C@@H]2C)CC1 ZINC001089059329 764917121 /nfs/dbraw/zinc/91/71/21/764917121.db2.gz IKLOYJHIFJAHCF-CJNGLKHVSA-N 1 1 344.463 0.537 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047627827 764924867 /nfs/dbraw/zinc/92/48/67/764924867.db2.gz XGVGSSADFIORTQ-KCXAZCMYSA-N 1 1 348.472 0.575 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)CC1 ZINC001052660229 764951336 /nfs/dbraw/zinc/95/13/36/764951336.db2.gz UYNXKUBDJNIUQH-GJZGRUSLSA-N 1 1 329.448 0.914 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)CC2)cc1 ZINC001052670095 764968773 /nfs/dbraw/zinc/96/87/73/764968773.db2.gz ADZOZURUCVARBK-JKSUJKDBSA-N 1 1 341.415 0.710 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001052670893 764970947 /nfs/dbraw/zinc/97/09/47/764970947.db2.gz JIFLDTUJLIHHMH-JKSUJKDBSA-N 1 1 341.415 0.710 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000992002813 765118401 /nfs/dbraw/zinc/11/84/01/765118401.db2.gz DMAFHKAQZVLLAQ-ABIUDSBCSA-N 1 1 329.404 0.605 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)c1 ZINC000992011083 765149174 /nfs/dbraw/zinc/14/91/74/765149174.db2.gz QFMFQZKLFMHGHI-GDBMZVCRSA-N 1 1 341.415 0.844 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C2)c1 ZINC001015679898 765151712 /nfs/dbraw/zinc/15/17/12/765151712.db2.gz PMZIZLVDOHGJSO-IAGOWNOFSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C2)c1 ZINC001015679898 765151715 /nfs/dbraw/zinc/15/17/15/765151715.db2.gz PMZIZLVDOHGJSO-IAGOWNOFSA-N 1 1 340.427 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cccnc3C)C2)C1=O ZINC001015699806 765185309 /nfs/dbraw/zinc/18/53/09/765185309.db2.gz BXLSJGBSGQDBMJ-IRXDYDNUSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cccnc3C)C2)C1=O ZINC001015699806 765185315 /nfs/dbraw/zinc/18/53/15/765185315.db2.gz BXLSJGBSGQDBMJ-IRXDYDNUSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC001052843503 765215195 /nfs/dbraw/zinc/21/51/95/765215195.db2.gz MVGCHKJUDRGEDB-CYBMUJFWSA-N 1 1 336.436 0.864 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC001052842767 765215477 /nfs/dbraw/zinc/21/54/77/765215477.db2.gz AJNDCUWAJPMJBK-ZDUSSCGKSA-N 1 1 334.420 0.311 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C)nn3CC)C2)C1=O ZINC001015744624 765261438 /nfs/dbraw/zinc/26/14/38/765261438.db2.gz JAWOICWABWKMDH-CABCVRRESA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C)nn3CC)C2)C1=O ZINC001015744624 765261443 /nfs/dbraw/zinc/26/14/43/765261443.db2.gz JAWOICWABWKMDH-CABCVRRESA-N 1 1 345.447 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)CC2)nc1 ZINC001052876416 765278616 /nfs/dbraw/zinc/27/86/16/765278616.db2.gz VOZCJSQFGHWKBN-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001052906184 765326012 /nfs/dbraw/zinc/32/60/12/765326012.db2.gz SNHANSOFDDKADG-GJZGRUSLSA-N 1 1 343.855 0.957 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cncc(OC)n3)C2)C1=O ZINC001015795356 765332684 /nfs/dbraw/zinc/33/26/84/765332684.db2.gz VBYUOPRQWTVYJW-JSGCOSHPSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cncc(OC)n3)C2)C1=O ZINC001015795356 765332692 /nfs/dbraw/zinc/33/26/92/765332692.db2.gz VBYUOPRQWTVYJW-JSGCOSHPSA-N 1 1 345.403 0.076 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000992066832 765347695 /nfs/dbraw/zinc/34/76/95/765347695.db2.gz JBOPFLNKYNVAKN-BMFZPTHFSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)nn1 ZINC001015809422 765366755 /nfs/dbraw/zinc/36/67/55/765366755.db2.gz AKBSQRJBBOREAO-QWHCGFSZSA-N 1 1 342.407 0.047 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)cc1 ZINC001015809219 765367632 /nfs/dbraw/zinc/36/76/32/765367632.db2.gz KMKBJSXDCMHICY-GOEBONIOSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)cc1 ZINC001015809219 765367636 /nfs/dbraw/zinc/36/76/36/765367636.db2.gz KMKBJSXDCMHICY-GOEBONIOSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)cc1 ZINC001015809221 765367646 /nfs/dbraw/zinc/36/76/46/765367646.db2.gz KMKBJSXDCMHICY-ZBFHGGJFSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)cc1 ZINC001015809221 765367652 /nfs/dbraw/zinc/36/76/52/765367652.db2.gz KMKBJSXDCMHICY-ZBFHGGJFSA-N 1 1 343.427 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)cc1 ZINC001015834803 765403741 /nfs/dbraw/zinc/40/37/41/765403741.db2.gz LRXMLBUVJBDMCN-CVEARBPZSA-N 1 1 326.400 0.917 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001052952426 765407637 /nfs/dbraw/zinc/40/76/37/765407637.db2.gz DOQPDXBQYHRZGH-NSHDSACASA-N 1 1 340.815 0.100 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001052952426 765407651 /nfs/dbraw/zinc/40/76/51/765407651.db2.gz DOQPDXBQYHRZGH-NSHDSACASA-N 1 1 340.815 0.100 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001052982502 765456634 /nfs/dbraw/zinc/45/66/34/765456634.db2.gz VFNMOZNTPDRBKN-SJORKVTESA-N 1 1 349.475 0.723 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3nnc[nH]3)C2)cc1 ZINC001015871797 765473270 /nfs/dbraw/zinc/47/32/70/765473270.db2.gz SPBLORMWKUXFJJ-CYBMUJFWSA-N 1 1 326.360 0.711 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+](CC(N)=O)C3)C2)c1 ZINC001053015751 765489156 /nfs/dbraw/zinc/48/91/56/765489156.db2.gz LOJBWNOPNRDWCY-HUUCEWRRSA-N 1 1 343.431 0.936 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001053031921 765505933 /nfs/dbraw/zinc/50/59/33/765505933.db2.gz MAGPSQBJHYZHOT-HOTGVXAUSA-N 1 1 347.463 0.718 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001053037389 765513630 /nfs/dbraw/zinc/51/36/30/765513630.db2.gz ZIOFOUHSKNIAMD-LSDHHAIUSA-N 1 1 330.436 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001053052300 765529072 /nfs/dbraw/zinc/52/90/72/765529072.db2.gz UITLYRNWCGVSLN-GJZGRUSLSA-N 1 1 346.431 0.122 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cnnn2)C1 ZINC001053066814 765541004 /nfs/dbraw/zinc/54/10/04/765541004.db2.gz ODISMJNWHYLXPB-HZPDHXFCSA-N 1 1 330.436 0.790 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cnnn2)C1 ZINC001053069293 765543116 /nfs/dbraw/zinc/54/31/16/765543116.db2.gz ZDTNJULVSFWXTG-HZPDHXFCSA-N 1 1 330.436 0.790 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2ncnn2)C1 ZINC001053087635 765563263 /nfs/dbraw/zinc/56/32/63/765563263.db2.gz VFSAVJGTJUZQBM-JKSUJKDBSA-N 1 1 330.436 0.790 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3C3CC3)C2)C1=O ZINC001015932473 765574946 /nfs/dbraw/zinc/57/49/46/765574946.db2.gz WUQZESDYJNBVRZ-DZGCQCFKSA-N 1 1 343.431 0.878 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3C3CC3)C2)C1=O ZINC001015932473 765574951 /nfs/dbraw/zinc/57/49/51/765574951.db2.gz WUQZESDYJNBVRZ-DZGCQCFKSA-N 1 1 343.431 0.878 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cccc(OC)n3)C2)C1=O ZINC001015932912 765576020 /nfs/dbraw/zinc/57/60/20/765576020.db2.gz URKITTWNUWBABG-UKRRQHHQSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cccc(OC)n3)C2)C1=O ZINC001015932912 765576025 /nfs/dbraw/zinc/57/60/25/765576025.db2.gz URKITTWNUWBABG-UKRRQHHQSA-N 1 1 344.415 0.681 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)c(F)c1 ZINC000992139215 765631361 /nfs/dbraw/zinc/63/13/61/765631361.db2.gz BWEIOYYWRDSMIN-WMLDXEAASA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)c(F)c1 ZINC000992139215 765631369 /nfs/dbraw/zinc/63/13/69/765631369.db2.gz BWEIOYYWRDSMIN-WMLDXEAASA-N 1 1 330.363 0.796 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)cn1 ZINC001016016888 765724679 /nfs/dbraw/zinc/72/46/79/765724679.db2.gz OWIBUJZPFCBNDV-HNNXBMFYSA-N 1 1 340.383 0.016 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)cn1 ZINC001016016888 765724683 /nfs/dbraw/zinc/72/46/83/765724683.db2.gz OWIBUJZPFCBNDV-HNNXBMFYSA-N 1 1 340.383 0.016 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)nc1 ZINC001016025854 765729690 /nfs/dbraw/zinc/72/96/90/765729690.db2.gz BROXABLEWDTUJQ-MRXNPFEDSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)nc1 ZINC001016026743 765730128 /nfs/dbraw/zinc/73/01/28/765730128.db2.gz IOIRKEXLBSARSO-CVEARBPZSA-N 1 1 340.427 0.783 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCOC3(C[NH+](C[C@@H]4CCCOC4)C3)C2)c1 ZINC001053207732 765765056 /nfs/dbraw/zinc/76/50/56/765765056.db2.gz FGZJKTQIHXGMSL-AWEZNQCLSA-N 1 1 344.415 0.840 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)C[N@H+]2CCC[C@H]2C)n1 ZINC001106108591 765854827 /nfs/dbraw/zinc/85/48/27/765854827.db2.gz LJJKMMTZYXWCKZ-OCCSQVGLSA-N 1 1 346.435 0.284 20 30 ECEDMO Cc1nsc(NC[C@H](O)CNC(=O)C[N@@H+]2CCC[C@H]2C)c1C#N ZINC001106108799 765860552 /nfs/dbraw/zinc/86/05/52/765860552.db2.gz PMUWVTHWAYIJBP-ZYHUDNBSSA-N 1 1 337.449 0.697 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1)CC(C)(C)C ZINC001106108926 765867166 /nfs/dbraw/zinc/86/71/66/765867166.db2.gz SJINTPKJURFLND-CYBMUJFWSA-N 1 1 334.424 0.215 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)C2)cc1C#N ZINC001016185183 765881727 /nfs/dbraw/zinc/88/17/27/765881727.db2.gz PNWCQPXIOGLUNO-HNNXBMFYSA-N 1 1 340.387 0.549 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cncn3)C2)cc1C#N ZINC001016185183 765881736 /nfs/dbraw/zinc/88/17/36/765881736.db2.gz PNWCQPXIOGLUNO-HNNXBMFYSA-N 1 1 340.387 0.549 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H](C)N1C(=O)CCC1=O)CCO2 ZINC001053275657 765883271 /nfs/dbraw/zinc/88/32/71/765883271.db2.gz QZFIJCOSPNAEJC-AWEZNQCLSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccncc2)C1 ZINC000992207408 765898670 /nfs/dbraw/zinc/89/86/70/765898670.db2.gz MESOPBFOXDOESI-PREGVCBESA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccncc2)C1 ZINC000992207408 765898677 /nfs/dbraw/zinc/89/86/77/765898677.db2.gz MESOPBFOXDOESI-PREGVCBESA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2coc(C)n2)C1 ZINC000992208622 765903022 /nfs/dbraw/zinc/90/30/22/765903022.db2.gz RWSZICNAJMRKJN-XUJLQICISA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2coc(C)n2)C1 ZINC000992208622 765903024 /nfs/dbraw/zinc/90/30/24/765903024.db2.gz RWSZICNAJMRKJN-XUJLQICISA-N 1 1 344.415 0.705 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C2)s1 ZINC001016206968 765906894 /nfs/dbraw/zinc/90/68/94/765906894.db2.gz BJVSSNVHISJBCF-NSHDSACASA-N 1 1 346.412 0.459 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C2)s1 ZINC001016206968 765906896 /nfs/dbraw/zinc/90/68/96/765906896.db2.gz BJVSSNVHISJBCF-NSHDSACASA-N 1 1 346.412 0.459 20 30 ECEDMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016210522 765913098 /nfs/dbraw/zinc/91/30/98/765913098.db2.gz ZAYNRUBMOQSWOC-INIZCTEOSA-N 1 1 339.395 0.378 20 30 ECEDMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016210522 765913101 /nfs/dbraw/zinc/91/31/01/765913101.db2.gz ZAYNRUBMOQSWOC-INIZCTEOSA-N 1 1 339.395 0.378 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@H](F)CC)C2)C1 ZINC001053291505 765920101 /nfs/dbraw/zinc/92/01/01/765920101.db2.gz UPPKPZQQZOKKLG-CVEARBPZSA-N 1 1 337.439 0.745 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@H](F)CC)C2)C1 ZINC001053291505 765920106 /nfs/dbraw/zinc/92/01/06/765920106.db2.gz UPPKPZQQZOKKLG-CVEARBPZSA-N 1 1 337.439 0.745 20 30 ECEDMO C=CCN1CC[C@@H](N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001016261271 765999349 /nfs/dbraw/zinc/99/93/49/765999349.db2.gz WGHXOTNRMSIWTF-LSDHHAIUSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCCS1(=O)=O ZINC001017740078 768339560 /nfs/dbraw/zinc/33/95/60/768339560.db2.gz WDDIRSNVJINVGR-GASCZTMLSA-N 1 1 341.477 0.663 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001089221930 766098093 /nfs/dbraw/zinc/09/80/93/766098093.db2.gz VEGNDZFAAADBTA-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001089221930 766098101 /nfs/dbraw/zinc/09/81/01/766098101.db2.gz VEGNDZFAAADBTA-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CCO2 ZINC001053467948 766182953 /nfs/dbraw/zinc/18/29/53/766182953.db2.gz RTDFSRZVFNAZIM-DLBZAZTESA-N 1 1 331.460 0.940 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001017767133 768355154 /nfs/dbraw/zinc/35/51/54/768355154.db2.gz HTCWLVFZGRTLSQ-GASCZTMLSA-N 1 1 337.387 0.369 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001017767133 768355162 /nfs/dbraw/zinc/35/51/62/768355162.db2.gz HTCWLVFZGRTLSQ-GASCZTMLSA-N 1 1 337.387 0.369 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCCO)CC3)nn1 ZINC000992312450 766237772 /nfs/dbraw/zinc/23/77/72/766237772.db2.gz BLFXPAYZANNYAM-NVXWUHKLSA-N 1 1 333.436 0.963 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016419445 766264764 /nfs/dbraw/zinc/26/47/64/766264764.db2.gz LYKYEUISOPZYAE-YGONEPDPSA-N 1 1 343.431 0.947 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001106126587 766274782 /nfs/dbraw/zinc/27/47/82/766274782.db2.gz NVUOGEMOPJORRM-CQSZACIVSA-N 1 1 342.403 0.284 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992351278 766350944 /nfs/dbraw/zinc/35/09/44/766350944.db2.gz MRPKUMWALNCYDL-KBXCAEBGSA-N 1 1 344.415 0.875 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001045782531 766363934 /nfs/dbraw/zinc/36/39/34/766363934.db2.gz HIQGFZHDXOCXKW-RHSMWYFYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001053600368 766407785 /nfs/dbraw/zinc/40/77/85/766407785.db2.gz HEQWOYGDPHLOOV-XHSDSOJGSA-N 1 1 338.448 0.700 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(C3CCC3)nn1)O2 ZINC001053600299 766407884 /nfs/dbraw/zinc/40/78/84/766407884.db2.gz FKMBPVZUEOIFDV-HNNXBMFYSA-N 1 1 343.431 0.990 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3n(n1)CCC3)O2 ZINC001053608730 766423960 /nfs/dbraw/zinc/42/39/60/766423960.db2.gz JIYIGDHSKRHOGE-OAHLLOKOSA-N 1 1 328.416 0.816 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001016527699 766439282 /nfs/dbraw/zinc/43/92/82/766439282.db2.gz DCUQTSCHJOPILN-OOHWJJMZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCn3ccnc3C1)O2 ZINC001053618743 766446886 /nfs/dbraw/zinc/44/68/86/766446886.db2.gz DPWZPBKPDJZHFV-CVEARBPZSA-N 1 1 342.443 0.818 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(=O)c(OC)co1)O2 ZINC001053628834 766475303 /nfs/dbraw/zinc/47/53/03/766475303.db2.gz ZFOAUJNUEZBDLR-CYBMUJFWSA-N 1 1 346.383 0.635 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnc(OC)n1)O2 ZINC001053630835 766478343 /nfs/dbraw/zinc/47/83/43/766478343.db2.gz LTPLOPPJTIMUMG-ZDUSSCGKSA-N 1 1 330.388 0.472 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn3nnnc3c1)O2 ZINC001053635601 766487929 /nfs/dbraw/zinc/48/79/29/766487929.db2.gz HWBCQAJDBMONBD-CQSZACIVSA-N 1 1 340.387 0.111 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H]2CCNC2=O)CC3)cn1 ZINC000992405401 766500043 /nfs/dbraw/zinc/50/00/43/766500043.db2.gz GBNOTWJXKIIFTF-MDZRGWNJSA-N 1 1 338.411 0.678 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H]2CCNC2=O)CC3)cn1 ZINC000992405394 766500189 /nfs/dbraw/zinc/50/01/89/766500189.db2.gz GBNOTWJXKIIFTF-FCEWJHQRSA-N 1 1 338.411 0.678 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)C1 ZINC001053647146 766507809 /nfs/dbraw/zinc/50/78/09/766507809.db2.gz NOAHLIGVFJWBRB-HZPDHXFCSA-N 1 1 334.464 0.982 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001045943703 766513549 /nfs/dbraw/zinc/51/35/49/766513549.db2.gz MXIMBDQHKAVKIQ-KSSFIOAISA-N 1 1 346.431 0.312 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cn([C@H]4CCOC4)nn3)CCC[C@H]12 ZINC000992412818 766518647 /nfs/dbraw/zinc/51/86/47/766518647.db2.gz CHHDVAOOQSHTFG-QILLFSRXSA-N 1 1 343.431 0.990 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c(c3)C(=O)NC4=O)CCC[C@@H]12 ZINC000992417323 766526000 /nfs/dbraw/zinc/52/60/00/766526000.db2.gz CMDWPKRZGVSSMS-DNVCBOLYSA-N 1 1 337.379 0.930 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001045967369 766538869 /nfs/dbraw/zinc/53/88/69/766538869.db2.gz SQIQWRWYHLNQIF-HDMKZQKVSA-N 1 1 335.448 0.910 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001045979012 766550305 /nfs/dbraw/zinc/55/03/05/766550305.db2.gz MVZLGYNQHGORMA-GOSISDBHSA-N 1 1 346.431 0.266 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1nccnc1C(N)=O)C2 ZINC001045984246 766555991 /nfs/dbraw/zinc/55/59/91/766555991.db2.gz YQCITUBISUPYAK-SFHVURJKSA-N 1 1 341.415 0.527 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001045984384 766556104 /nfs/dbraw/zinc/55/61/04/766556104.db2.gz ZZQZGKPVPKRCHD-SFHVURJKSA-N 1 1 346.431 0.218 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001045984770 766556162 /nfs/dbraw/zinc/55/61/62/766556162.db2.gz IGUJZEGULJRRKJ-WBVHZDCISA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001045984770 766556163 /nfs/dbraw/zinc/55/61/63/766556163.db2.gz IGUJZEGULJRRKJ-WBVHZDCISA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001045988285 766562157 /nfs/dbraw/zinc/56/21/57/766562157.db2.gz MHUUEFJQUDSPKS-KBXCAEBGSA-N 1 1 331.416 0.377 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCCN(C)C1=O)O2 ZINC001053686225 766587769 /nfs/dbraw/zinc/58/77/69/766587769.db2.gz KBHSXWDQHFEZGI-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H](O)CNc2nc(C)[nH+]c(C)c2C)nn1 ZINC001106131898 766594713 /nfs/dbraw/zinc/59/47/13/766594713.db2.gz MLEMICUKRLMHSP-ZDUSSCGKSA-N 1 1 345.407 0.382 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCN(C(=O)CC)C1)O2 ZINC001053689039 766594736 /nfs/dbraw/zinc/59/47/36/766594736.db2.gz ZZFCWSDRJWAQDZ-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3cncn3)CC2)C1 ZINC001046001685 766604168 /nfs/dbraw/zinc/60/41/68/766604168.db2.gz FINBOXPESPLGHS-MRXNPFEDSA-N 1 1 332.452 0.463 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C(=O)NC)n3)CCC[C@H]12 ZINC000992453630 766612665 /nfs/dbraw/zinc/61/26/65/766612665.db2.gz HLMMMWRMSLPIJO-MAUKXSAKSA-N 1 1 326.400 0.801 20 30 ECEDMO Cc1oncc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011216 766635874 /nfs/dbraw/zinc/63/58/74/766635874.db2.gz APZSXOGFSLEOOW-CZUORRHYSA-N 1 1 331.420 0.861 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC001046011368 766635972 /nfs/dbraw/zinc/63/59/72/766635972.db2.gz COENAHFPCAERJW-GOEBONIOSA-N 1 1 330.436 0.298 20 30 ECEDMO Cc1ncoc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046012599 766639596 /nfs/dbraw/zinc/63/95/96/766639596.db2.gz PXTCWMXULPICQT-ZFWWWQNUSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1cnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)cn1 ZINC001046013178 766641071 /nfs/dbraw/zinc/64/10/71/766641071.db2.gz UIKROKNIXZMGDZ-YOEHRIQHSA-N 1 1 342.447 0.663 20 30 ECEDMO Cc1cnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)cn1 ZINC001046013178 766641078 /nfs/dbraw/zinc/64/10/78/766641078.db2.gz UIKROKNIXZMGDZ-YOEHRIQHSA-N 1 1 342.447 0.663 20 30 ECEDMO Cc1nocc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046013245 766642730 /nfs/dbraw/zinc/64/27/30/766642730.db2.gz VIYWXHYGUSGGJK-CJNGLKHVSA-N 1 1 331.420 0.861 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)C3CCN(C(N)=O)CC3)CCC[C@@H]12 ZINC000992466724 766643525 /nfs/dbraw/zinc/64/35/25/766643525.db2.gz SLGGJXDBGGVEFW-QAPCUYQASA-N 1 1 332.448 0.914 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CC)c3)CC2)C1 ZINC001046013813 766645374 /nfs/dbraw/zinc/64/53/74/766645374.db2.gz KPTPIKIGDUZZOY-KRWDZBQOSA-N 1 1 329.448 0.758 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3nnn(C)c3C)CC2)C1 ZINC001046015989 766650371 /nfs/dbraw/zinc/65/03/71/766650371.db2.gz ZUMCIJHPYHUJTM-HNNXBMFYSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12 ZINC000992472103 766653512 /nfs/dbraw/zinc/65/35/12/766653512.db2.gz IFLPHOAIOFUZQB-KDOFPFPSSA-N 1 1 348.447 0.960 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 ZINC001046020915 766664997 /nfs/dbraw/zinc/66/49/97/766664997.db2.gz YWCGMGACHOIGDV-CVEARBPZSA-N 1 1 333.432 0.181 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CC3OCCCO3)CC2)C1 ZINC001046025406 766678934 /nfs/dbraw/zinc/67/89/34/766678934.db2.gz YGWRJUDRWYXXIN-INIZCTEOSA-N 1 1 335.448 0.381 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 ZINC001046027941 766688215 /nfs/dbraw/zinc/68/82/15/766688215.db2.gz UADRPMNZTNKUHP-IRXDYDNUSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@H]12 ZINC000992486653 766690591 /nfs/dbraw/zinc/69/05/91/766690591.db2.gz HMFGAUCJTWOEGD-YVEFUNNKSA-N 1 1 332.404 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)ns3)CC2)C1 ZINC001046030377 766696889 /nfs/dbraw/zinc/69/68/89/766696889.db2.gz PQNBDSOHNYBPDQ-ZDUSSCGKSA-N 1 1 334.445 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2ccon2)C1 ZINC001016670987 766700400 /nfs/dbraw/zinc/70/04/00/766700400.db2.gz YCNWVLXHLKLLLE-GPANFISMSA-N 1 1 344.415 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2ccon2)C1 ZINC001016670987 766700408 /nfs/dbraw/zinc/70/04/08/766700408.db2.gz YCNWVLXHLKLLLE-GPANFISMSA-N 1 1 344.415 0.420 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ocnc2C)C1 ZINC001016670550 766700428 /nfs/dbraw/zinc/70/04/28/766700428.db2.gz QCIGRRUCPOTSHW-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ocnc2C)C1 ZINC001016670550 766700437 /nfs/dbraw/zinc/70/04/37/766700437.db2.gz QCIGRRUCPOTSHW-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C2=COCCC2)C1 ZINC001016671157 766701472 /nfs/dbraw/zinc/70/14/72/766701472.db2.gz ZULUIPHPCXQRGX-JCYILVPMSA-N 1 1 345.443 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C2=COCCC2)C1 ZINC001016671157 766701477 /nfs/dbraw/zinc/70/14/77/766701477.db2.gz ZULUIPHPCXQRGX-JCYILVPMSA-N 1 1 345.443 0.884 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC001046031829 766702303 /nfs/dbraw/zinc/70/23/03/766702303.db2.gz ACGUKXSMODKDLF-DLBZAZTESA-N 1 1 346.475 0.095 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)CC[N@H+]1C ZINC001046032239 766704404 /nfs/dbraw/zinc/70/44/04/766704404.db2.gz HAOIMJYQCIWUQD-YESZJQIVSA-N 1 1 333.480 0.459 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccn(C(C)C)n2)C1 ZINC000994753486 766711450 /nfs/dbraw/zinc/71/14/50/766711450.db2.gz GUMXTJQDIKCYDX-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccn(C(C)C)n2)C1 ZINC000994753486 766711458 /nfs/dbraw/zinc/71/14/58/766711458.db2.gz GUMXTJQDIKCYDX-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccncc2CC)C1 ZINC000994753626 766712123 /nfs/dbraw/zinc/71/21/23/766712123.db2.gz JHLMMBXPXSCTMH-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccncc2CC)C1 ZINC000994753626 766712125 /nfs/dbraw/zinc/71/21/25/766712125.db2.gz JHLMMBXPXSCTMH-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)nnc3C)CC2)C1 ZINC001046034647 766716885 /nfs/dbraw/zinc/71/68/85/766716885.db2.gz WNBOMPJQTJDLAV-MRXNPFEDSA-N 1 1 327.432 0.559 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4nccn43)CC2)C1 ZINC001046035214 766720111 /nfs/dbraw/zinc/72/01/11/766720111.db2.gz HHFUQWTTWRXYMB-DLBZAZTESA-N 1 1 341.459 0.612 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CC)n(C)n2)C1 ZINC000994756178 766724028 /nfs/dbraw/zinc/72/40/28/766724028.db2.gz UVFJFCMGWBTREU-INIZCTEOSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CC)n(C)n2)C1 ZINC000994756178 766724033 /nfs/dbraw/zinc/72/40/33/766724033.db2.gz UVFJFCMGWBTREU-INIZCTEOSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4ncccc34)CC2)C1 ZINC001046036227 766725988 /nfs/dbraw/zinc/72/59/88/766725988.db2.gz DDXSSDRFRHZXRZ-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cn2ccnc2)C1 ZINC001016687721 766731036 /nfs/dbraw/zinc/73/10/36/766731036.db2.gz IGCSLNHXSUKDMU-GPANFISMSA-N 1 1 343.431 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cn2ccnc2)C1 ZINC001016687721 766731037 /nfs/dbraw/zinc/73/10/37/766731037.db2.gz IGCSLNHXSUKDMU-GPANFISMSA-N 1 1 343.431 0.086 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001046037181 766732161 /nfs/dbraw/zinc/73/21/61/766732161.db2.gz UZAPLQFCTFMLFC-ULQDDVLXSA-N 1 1 337.464 0.585 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC001046037578 766733902 /nfs/dbraw/zinc/73/39/02/766733902.db2.gz SXVRZUUIJWEPHG-CYBMUJFWSA-N 1 1 342.871 0.469 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC001046037578 766733905 /nfs/dbraw/zinc/73/39/05/766733905.db2.gz SXVRZUUIJWEPHG-CYBMUJFWSA-N 1 1 342.871 0.469 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2nonc2C)C1 ZINC001016691288 766736779 /nfs/dbraw/zinc/73/67/79/766736779.db2.gz ZGLWRHDYZYRPLX-RUXDESIVSA-N 1 1 345.403 0.195 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2nonc2C)C1 ZINC001016691288 766736785 /nfs/dbraw/zinc/73/67/85/766736785.db2.gz ZGLWRHDYZYRPLX-RUXDESIVSA-N 1 1 345.403 0.195 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046039075 766741261 /nfs/dbraw/zinc/74/12/61/766741261.db2.gz RDFBYOYCLTYUJQ-VQIMIIECSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC001046039227 766742614 /nfs/dbraw/zinc/74/26/14/766742614.db2.gz OGTUMAKOTBCHBU-AWEZNQCLSA-N 1 1 329.404 0.038 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4ccccn34)CC2)C1 ZINC001046040936 766749243 /nfs/dbraw/zinc/74/92/43/766749243.db2.gz MFCBUBKJZNDNBS-MRXNPFEDSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC001046043187 766760348 /nfs/dbraw/zinc/76/03/48/766760348.db2.gz XXHZPRQSIDWPRV-AWEZNQCLSA-N 1 1 327.432 0.364 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncc(OC)cn3)CC2)C1 ZINC001046043979 766764924 /nfs/dbraw/zinc/76/49/24/766764924.db2.gz GMDROIISOVWFIC-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC001046043941 766765152 /nfs/dbraw/zinc/76/51/52/766765152.db2.gz NNPJCXPGVMVGGB-GOSISDBHSA-N 1 1 341.459 0.651 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC001046044248 766766013 /nfs/dbraw/zinc/76/60/13/766766013.db2.gz RJXBJGUQJRUPFM-QGZVFWFLSA-N 1 1 342.443 0.572 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncc(OC)cn3)CC2)C1 ZINC001046044651 766767354 /nfs/dbraw/zinc/76/73/54/766767354.db2.gz NRRHALJROSAWKP-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC001046046848 766775768 /nfs/dbraw/zinc/77/57/68/766775768.db2.gz GAJXPYCEPPTJOF-QGZVFWFLSA-N 1 1 346.479 0.635 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001046047551 766778888 /nfs/dbraw/zinc/77/88/88/766778888.db2.gz SYTREVSNBCUSIH-SJORKVTESA-N 1 1 346.475 0.145 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001046047717 766779193 /nfs/dbraw/zinc/77/91/93/766779193.db2.gz XHABFZQZADNORE-QKDSSNGWSA-N 1 1 343.471 0.652 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001046049734 766784131 /nfs/dbraw/zinc/78/41/31/766784131.db2.gz WUEFVWZVHZMDKU-KBPBESRZSA-N 1 1 340.855 0.094 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001046049734 766784136 /nfs/dbraw/zinc/78/41/36/766784136.db2.gz WUEFVWZVHZMDKU-KBPBESRZSA-N 1 1 340.855 0.094 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4cccnc34)CC2)C1 ZINC001046051125 766790234 /nfs/dbraw/zinc/79/02/34/766790234.db2.gz XCLDMGLDQRCVDD-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3csc(=O)[nH]3)CC2)C1 ZINC001046051423 766791986 /nfs/dbraw/zinc/79/19/86/766791986.db2.gz GYHKEKKJJAOWQL-CYBMUJFWSA-N 1 1 334.445 0.704 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4cccnc43)CC2)C1 ZINC001046055359 766806562 /nfs/dbraw/zinc/80/65/62/766806562.db2.gz WTNMIKNSKIOQLK-MSOLQXFVSA-N 1 1 338.455 0.963 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1 ZINC001046062561 766835106 /nfs/dbraw/zinc/83/51/06/766835106.db2.gz VLDIQRHFCUXFEE-CQSZACIVSA-N 1 1 333.436 0.534 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001046062561 766835115 /nfs/dbraw/zinc/83/51/15/766835115.db2.gz VLDIQRHFCUXFEE-CQSZACIVSA-N 1 1 333.436 0.534 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001046062561 766835124 /nfs/dbraw/zinc/83/51/24/766835124.db2.gz VLDIQRHFCUXFEE-CQSZACIVSA-N 1 1 333.436 0.534 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C(N)=O)n3)CCC[C@H]12 ZINC000992550045 766841285 /nfs/dbraw/zinc/84/12/85/766841285.db2.gz PENRCSRKSKTJGX-YJBOKZPZSA-N 1 1 326.400 0.931 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000994801919 766846831 /nfs/dbraw/zinc/84/68/31/766846831.db2.gz LAWKDPKYPOEOCX-UONOGXRCSA-N 1 1 348.447 0.316 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046065884 766850759 /nfs/dbraw/zinc/85/07/59/766850759.db2.gz FLUUBTLUUXTNRE-INIZCTEOSA-N 1 1 344.463 0.749 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC001046065737 766852047 /nfs/dbraw/zinc/85/20/47/766852047.db2.gz DBLNEGNUYRUMDW-MRXNPFEDSA-N 1 1 349.866 0.778 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](CCn4cncn4)[C@H]3C2)c1 ZINC001042001272 782582667 /nfs/dbraw/zinc/58/26/67/782582667.db2.gz VFUQDPRQMMVXGZ-HOCLYGCPSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046069552 766869405 /nfs/dbraw/zinc/86/94/05/766869405.db2.gz IEFGTJMHZDQGCJ-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 ZINC001046070054 766872036 /nfs/dbraw/zinc/87/20/36/766872036.db2.gz NXFZLVPHWWMFGG-CVEARBPZSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000994817065 766888296 /nfs/dbraw/zinc/88/82/96/766888296.db2.gz NTIBDXAAVMFVNW-KBMXLJTQSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000994817065 766888310 /nfs/dbraw/zinc/88/83/10/766888310.db2.gz NTIBDXAAVMFVNW-KBMXLJTQSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC001046074726 766892501 /nfs/dbraw/zinc/89/25/01/766892501.db2.gz FRYBQODZNAPSIK-KRWDZBQOSA-N 1 1 327.432 0.261 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H](C)n3cccn3)CC2)C1 ZINC001046075416 766894642 /nfs/dbraw/zinc/89/46/42/766894642.db2.gz SJQYQZRZABIKNQ-IRXDYDNUSA-N 1 1 329.448 0.686 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3conc3COC)CC2)C1 ZINC001046077148 766906849 /nfs/dbraw/zinc/90/68/49/766906849.db2.gz KZSGJFOJJVVURL-HNNXBMFYSA-N 1 1 346.431 0.676 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC001046077349 766908358 /nfs/dbraw/zinc/90/83/58/766908358.db2.gz MUMDLLQRUGIBAF-HZPDHXFCSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077349 766908361 /nfs/dbraw/zinc/90/83/61/766908361.db2.gz MUMDLLQRUGIBAF-HZPDHXFCSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077349 766908366 /nfs/dbraw/zinc/90/83/66/766908366.db2.gz MUMDLLQRUGIBAF-HZPDHXFCSA-N 1 1 341.459 0.366 20 30 ECEDMO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001089654733 766909176 /nfs/dbraw/zinc/90/91/76/766909176.db2.gz SQZQTUYOKIIDEY-UKRRQHHQSA-N 1 1 346.435 0.400 20 30 ECEDMO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001089654733 766909181 /nfs/dbraw/zinc/90/91/81/766909181.db2.gz SQZQTUYOKIIDEY-UKRRQHHQSA-N 1 1 346.435 0.400 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC001046078949 766911656 /nfs/dbraw/zinc/91/16/56/766911656.db2.gz NWNXYPAIKGTDHD-OAHLLOKOSA-N 1 1 345.447 0.893 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC001046079356 766912699 /nfs/dbraw/zinc/91/26/99/766912699.db2.gz UFFWIPYQVXSFKU-CQSZACIVSA-N 1 1 331.420 0.503 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)Nc3cc(C)on3)CC2)C1 ZINC001046080621 766917453 /nfs/dbraw/zinc/91/74/53/766917453.db2.gz AEQRELIUYWFJEQ-AWEZNQCLSA-N 1 1 347.419 0.326 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCN([C@H]3CC[N@@H+](C(C)C)C3)CC2)CC1 ZINC001046086183 766928218 /nfs/dbraw/zinc/92/82/18/766928218.db2.gz MXJXHTYKQYHHSR-IBGZPJMESA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCN([C@H]3CC[N@H+](C(C)C)C3)CC2)CC1 ZINC001046086183 766928221 /nfs/dbraw/zinc/92/82/21/766928221.db2.gz MXJXHTYKQYHHSR-IBGZPJMESA-N 1 1 346.519 0.959 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn(C)c3)CC2)C1 ZINC001046086946 766929463 /nfs/dbraw/zinc/92/94/63/766929463.db2.gz SHURXTATLFMLCE-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C3CCOCC3)CC2)C1 ZINC001046089613 766930903 /nfs/dbraw/zinc/93/09/03/766930903.db2.gz HRTKUCYTWZLISP-FUHWJXTLSA-N 1 1 333.476 0.901 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)CO2 ZINC001053820531 766934258 /nfs/dbraw/zinc/93/42/58/766934258.db2.gz DXEHBUACRKCJRO-STQMWFEESA-N 1 1 335.404 0.060 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)cc1 ZINC000992579730 766946119 /nfs/dbraw/zinc/94/61/19/766946119.db2.gz DJPNCDSWQGHBRH-QGZVFWFLSA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)cc1 ZINC000992579730 766946124 /nfs/dbraw/zinc/94/61/24/766946124.db2.gz DJPNCDSWQGHBRH-QGZVFWFLSA-N 1 1 341.411 0.329 20 30 ECEDMO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CO2 ZINC001053829600 766961551 /nfs/dbraw/zinc/96/15/51/766961551.db2.gz GYYDAFQEUHLVAF-NVXWUHKLSA-N 1 1 331.460 0.986 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001106137397 766966782 /nfs/dbraw/zinc/96/67/82/766966782.db2.gz OSCFKDPNOJFYNA-ZNMIVQPWSA-N 1 1 334.420 0.964 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC001016811124 766968048 /nfs/dbraw/zinc/96/80/48/766968048.db2.gz PCHXQDPDCLANEQ-QQFBHYJXSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nnc(CC)o2)C1 ZINC001031742597 766991322 /nfs/dbraw/zinc/99/13/22/766991322.db2.gz MKBPVGFCLUWGSV-ZFWWWQNUSA-N 1 1 345.447 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nnc(CC)o2)C1 ZINC001031742597 766991327 /nfs/dbraw/zinc/99/13/27/766991327.db2.gz MKBPVGFCLUWGSV-ZFWWWQNUSA-N 1 1 345.447 0.839 20 30 ECEDMO C=C1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC000992611476 767017578 /nfs/dbraw/zinc/01/75/78/767017578.db2.gz WFYDCAZZPSHQRY-MRXNPFEDSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC000992611476 767017590 /nfs/dbraw/zinc/01/75/90/767017590.db2.gz WFYDCAZZPSHQRY-MRXNPFEDSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046196449 767045858 /nfs/dbraw/zinc/04/58/58/767045858.db2.gz CFTWLNGDEJQSAQ-APWZRJJASA-N 1 1 325.412 0.897 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046196449 767045869 /nfs/dbraw/zinc/04/58/69/767045869.db2.gz CFTWLNGDEJQSAQ-APWZRJJASA-N 1 1 325.412 0.897 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001046206440 767063942 /nfs/dbraw/zinc/06/39/42/767063942.db2.gz UVDDRZJNXMADLS-DYVFJYSZSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001046206440 767063951 /nfs/dbraw/zinc/06/39/51/767063951.db2.gz UVDDRZJNXMADLS-DYVFJYSZSA-N 1 1 346.435 0.105 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219942 767086896 /nfs/dbraw/zinc/08/68/96/767086896.db2.gz QYGOJLKMTHRODG-PKOBYXMFSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046223028 767090956 /nfs/dbraw/zinc/09/09/56/767090956.db2.gz GDJVDFXXRYWVMA-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](CCn4cncn4)[C@@H]3C2)c[nH]1 ZINC001042018105 782607777 /nfs/dbraw/zinc/60/77/77/782607777.db2.gz GCWBBYRSWKHNRO-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001046239774 767104051 /nfs/dbraw/zinc/10/40/51/767104051.db2.gz MUCNNKLZSALDPQ-KRWDZBQOSA-N 1 1 343.387 0.230 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)CC[N@H+]1C ZINC001106141611 767107195 /nfs/dbraw/zinc/10/71/95/767107195.db2.gz FJQZIHOROLRZNY-OWCLPIDISA-N 1 1 331.420 0.573 20 30 ECEDMO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001089712494 767110373 /nfs/dbraw/zinc/11/03/73/767110373.db2.gz BPUCSOZPRALLKK-CYBMUJFWSA-N 1 1 327.392 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000938826289 767124613 /nfs/dbraw/zinc/12/46/13/767124613.db2.gz FCYGOYHQCAXEGV-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3c[nH]nc32)[C@H](OC)C1 ZINC001212282351 767129878 /nfs/dbraw/zinc/12/98/78/767129878.db2.gz QEHSCZAYLSTHKP-ARFHVFGLSA-N 1 1 348.447 0.848 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001046311374 767140798 /nfs/dbraw/zinc/14/07/98/767140798.db2.gz AJWRLCDPBQDUPN-HNNXBMFYSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001046312001 767141305 /nfs/dbraw/zinc/14/13/05/767141305.db2.gz ODLHXKARKNIWJA-ZIAGYGMSSA-N 1 1 335.448 0.230 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C#N)cn1 ZINC001046388307 767188406 /nfs/dbraw/zinc/18/84/06/767188406.db2.gz YHLBBVZJYIVQFN-FMKPAKJESA-N 1 1 327.432 0.942 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1 ZINC001089796382 767221350 /nfs/dbraw/zinc/22/13/50/767221350.db2.gz GZFFWHZPHFLBRJ-FJIDUMEYSA-N 1 1 331.460 0.511 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001046447317 767231101 /nfs/dbraw/zinc/23/11/01/767231101.db2.gz XKKILSGQOOLWIG-CQSZACIVSA-N 1 1 327.406 0.697 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1nnc(C)[nH]1 ZINC001089806398 767233909 /nfs/dbraw/zinc/23/39/09/767233909.db2.gz POVYDNWPSDVSPU-JJXSEGSLSA-N 1 1 327.432 0.848 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccn2nnnc12 ZINC001089811291 767255246 /nfs/dbraw/zinc/25/52/46/767255246.db2.gz FHHIAINHYZZUBR-HNKHHVNMSA-N 1 1 336.399 0.540 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C(C)(C)C)n1 ZINC001089813558 767266313 /nfs/dbraw/zinc/26/63/13/767266313.db2.gz VHSJKZPGVRMIOV-XGUBFFRZSA-N 1 1 342.447 0.844 20 30 ECEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001046505972 767267602 /nfs/dbraw/zinc/26/76/02/767267602.db2.gz NOGKCFDQJZZPCC-SOLBZPMBSA-N 1 1 337.464 0.633 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001046508495 767268707 /nfs/dbraw/zinc/26/87/07/767268707.db2.gz SXKMFZVSRFSSNF-INIZCTEOSA-N 1 1 325.376 0.275 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3snnc3CC)C2)C1=O ZINC001031823142 767290140 /nfs/dbraw/zinc/29/01/40/767290140.db2.gz POVVVTKDTCNEKP-CYBMUJFWSA-N 1 1 349.460 0.549 20 30 ECEDMO CN1C[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001046540945 767291924 /nfs/dbraw/zinc/29/19/24/767291924.db2.gz BFQMSHABRZFWMP-CZUORRHYSA-N 1 1 347.444 0.724 20 30 ECEDMO CN1C[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001046540945 767291926 /nfs/dbraw/zinc/29/19/26/767291926.db2.gz BFQMSHABRZFWMP-CZUORRHYSA-N 1 1 347.444 0.724 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc(N(C)C)cn1 ZINC001089818759 767299720 /nfs/dbraw/zinc/29/97/20/767299720.db2.gz YLUZJJLOJXEPTH-HWMZRRJGSA-N 1 1 339.443 0.958 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001042021549 782615503 /nfs/dbraw/zinc/61/55/03/782615503.db2.gz QPDRCJWLBTZQHF-LSDHHAIUSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001042021549 782615511 /nfs/dbraw/zinc/61/55/11/782615511.db2.gz QPDRCJWLBTZQHF-LSDHHAIUSA-N 1 1 327.856 0.994 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1 ZINC001078285736 782616045 /nfs/dbraw/zinc/61/60/45/782616045.db2.gz CAYIGLGJOGGGAG-GDBMZVCRSA-N 1 1 325.372 0.066 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1 ZINC001078285736 782616048 /nfs/dbraw/zinc/61/60/48/782616048.db2.gz CAYIGLGJOGGGAG-GDBMZVCRSA-N 1 1 325.372 0.066 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)c1 ZINC001053918809 767357281 /nfs/dbraw/zinc/35/72/81/767357281.db2.gz WIKZFDZTJRZUOX-DOTOQJQBSA-N 1 1 341.411 0.673 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924397 767372341 /nfs/dbraw/zinc/37/23/41/767372341.db2.gz RTBKKXUGRJOAQW-JKSUJKDBSA-N 1 1 342.443 0.737 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nnnn3CC1)CO2 ZINC001053932045 767393574 /nfs/dbraw/zinc/39/35/74/767393574.db2.gz JWXVWTPWJGAYEM-UONOGXRCSA-N 1 1 346.435 0.161 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nccc(SC)n1 ZINC001106154002 767403298 /nfs/dbraw/zinc/40/32/98/767403298.db2.gz DIONRGQZQVAHDJ-STQMWFEESA-N 1 1 349.460 0.185 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nccc(SC)n1 ZINC001106154002 767403302 /nfs/dbraw/zinc/40/33/02/767403302.db2.gz DIONRGQZQVAHDJ-STQMWFEESA-N 1 1 349.460 0.185 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc2ccccc2o1 ZINC001106154557 767405873 /nfs/dbraw/zinc/40/58/73/767405873.db2.gz LFHSBXNDJYWHQX-ZFWWWQNUSA-N 1 1 342.399 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc2ccccc2o1 ZINC001106154557 767405877 /nfs/dbraw/zinc/40/58/77/767405877.db2.gz LFHSBXNDJYWHQX-ZFWWWQNUSA-N 1 1 342.399 0.814 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccnc2n[nH]nc21 ZINC001089835893 767430950 /nfs/dbraw/zinc/43/09/50/767430950.db2.gz LQTPRQKKMMDEJL-MHEUCROKSA-N 1 1 336.399 0.769 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1coc(C(N)=O)c1 ZINC001089839109 767434639 /nfs/dbraw/zinc/43/46/39/767434639.db2.gz PRJZWSNGCUYIDH-MYPMTAMASA-N 1 1 327.384 0.794 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001016993196 767446513 /nfs/dbraw/zinc/44/65/13/767446513.db2.gz IVHUAOSKLQAUFM-JCYILVPMSA-N 1 1 340.427 0.876 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001046670926 767449086 /nfs/dbraw/zinc/44/90/86/767449086.db2.gz BDOJFZYXZLHILS-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CC[C@H](C)C3)C2)CCC1 ZINC001046676762 767460976 /nfs/dbraw/zinc/46/09/76/767460976.db2.gz LKROOHLEWZHRCL-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCN(C(=O)CC)C1)CO2 ZINC001053975096 767504471 /nfs/dbraw/zinc/50/44/71/767504471.db2.gz CJHJRPVASCMJCT-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccncn3)C2)C1=O ZINC001046709973 767524458 /nfs/dbraw/zinc/52/44/58/767524458.db2.gz SMJQSICXNJJDOZ-PBHICJAKSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccncn3)C2)C1=O ZINC001046709973 767524464 /nfs/dbraw/zinc/52/44/64/767524464.db2.gz SMJQSICXNJJDOZ-PBHICJAKSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(N(C)C)nn1)CO2 ZINC001053985688 767535715 /nfs/dbraw/zinc/53/57/15/767535715.db2.gz WRSPZJSXMAFYFD-CYBMUJFWSA-N 1 1 331.420 0.692 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1nc(C)ccc1=O)CO2 ZINC001053987329 767539614 /nfs/dbraw/zinc/53/96/14/767539614.db2.gz LSWYVDGSTDUPKY-CQSZACIVSA-N 1 1 332.404 0.087 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1nc(C)ccc1=O)CO2 ZINC001053987791 767539720 /nfs/dbraw/zinc/53/97/20/767539720.db2.gz SZPYNIMZPNZQRN-OAHLLOKOSA-N 1 1 346.431 0.477 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cccnn3)C2)C1=O ZINC001046721454 767541013 /nfs/dbraw/zinc/54/10/13/767541013.db2.gz JBZUTSNGYNYSBR-PBHICJAKSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cccnn3)C2)C1=O ZINC001046721454 767541018 /nfs/dbraw/zinc/54/10/18/767541018.db2.gz JBZUTSNGYNYSBR-PBHICJAKSA-N 1 1 329.404 0.458 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001017109117 767601111 /nfs/dbraw/zinc/60/11/11/767601111.db2.gz HAXPDHLIOVBGGY-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3ncc[nH]3)C2)C1=O ZINC001017127972 767629436 /nfs/dbraw/zinc/62/94/36/767629436.db2.gz YNSNEYZAZPQUBN-CABCVRRESA-N 1 1 345.447 0.981 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054036562 767635101 /nfs/dbraw/zinc/63/51/01/767635101.db2.gz NRPSBUWSCVBBCC-IRXDYDNUSA-N 1 1 328.416 0.384 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054036562 767635106 /nfs/dbraw/zinc/63/51/06/767635106.db2.gz NRPSBUWSCVBBCC-IRXDYDNUSA-N 1 1 328.416 0.384 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3csc(=O)[nH]3)[C@@H](O)C2)c1 ZINC001083713314 767646079 /nfs/dbraw/zinc/64/60/79/767646079.db2.gz QIVQLNUFDOJWND-OCCSQVGLSA-N 1 1 344.396 0.695 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3csc(=O)[nH]3)[C@@H](O)C2)c1 ZINC001083713314 767646082 /nfs/dbraw/zinc/64/60/82/767646082.db2.gz QIVQLNUFDOJWND-OCCSQVGLSA-N 1 1 344.396 0.695 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1=O ZINC001031050690 767647951 /nfs/dbraw/zinc/64/79/51/767647951.db2.gz UEOXCUYWFZINRZ-SJORKVTESA-N 1 1 348.491 0.837 20 30 ECEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017194336 767709629 /nfs/dbraw/zinc/70/96/29/767709629.db2.gz MRBCTPZRIKIBJM-GFCCVEGCSA-N 1 1 332.379 0.853 20 30 ECEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017194337 767709708 /nfs/dbraw/zinc/70/97/08/767709708.db2.gz MRBCTPZRIKIBJM-LBPRGKRZSA-N 1 1 332.379 0.853 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)CC(C)(C)C1=O)C2 ZINC001054132855 767728882 /nfs/dbraw/zinc/72/88/82/767728882.db2.gz PGAUUPDECAGQEZ-LJQANCHMSA-N 1 1 345.443 0.719 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC[C@@]2(CCN(CC#N)C2)C1 ZINC001054145814 767740206 /nfs/dbraw/zinc/74/02/06/767740206.db2.gz XWDPFKDSBVLIIA-AEFFLSMTSA-N 1 1 344.463 0.651 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001054146630 767741283 /nfs/dbraw/zinc/74/12/83/767741283.db2.gz OKSZLKVDHZBKFA-SUMWQHHRSA-N 1 1 334.420 0.475 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1 ZINC000992896967 767764621 /nfs/dbraw/zinc/76/46/21/767764621.db2.gz PJHWORDQHKIWQO-TXPKVOOTSA-N 1 1 329.444 0.658 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1Cc3cncn3C(=O)N1)C2 ZINC001054168731 767765603 /nfs/dbraw/zinc/76/56/03/767765603.db2.gz IBLJZEHJBSZXPZ-MAUKXSAKSA-N 1 1 343.431 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccnc3c1nnn3C)C2 ZINC001054186694 767784824 /nfs/dbraw/zinc/78/48/24/767784824.db2.gz ZUTHWYAYWQFWKR-GOSISDBHSA-N 1 1 338.415 0.925 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001054195839 767794648 /nfs/dbraw/zinc/79/46/48/767794648.db2.gz DKCBPCUMDQHENZ-HDMKZQKVSA-N 1 1 335.448 0.910 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cnccc1=O)C2 ZINC001054222159 767827504 /nfs/dbraw/zinc/82/75/04/767827504.db2.gz UKYIAILPBUVUFH-LJQANCHMSA-N 1 1 342.443 0.971 20 30 ECEDMO C=CCOC[C@H]([N-]S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)C(=O)OC ZINC000915170384 768369036 /nfs/dbraw/zinc/36/90/36/768369036.db2.gz AVQRGJIRTOUIGF-ZFWWWQNUSA-N 1 1 346.449 0.136 20 30 ECEDMO C=CCOC[C@H](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)C(=O)OC ZINC000915170384 768369052 /nfs/dbraw/zinc/36/90/52/768369052.db2.gz AVQRGJIRTOUIGF-ZFWWWQNUSA-N 1 1 346.449 0.136 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(C)CCOCCNc1ccnc(C#N)n1 ZINC001127347553 768379691 /nfs/dbraw/zinc/37/96/91/768379691.db2.gz PVEPLASVBUVQED-UHFFFAOYSA-N 1 1 348.451 0.389 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)C1 ZINC001055034228 768539807 /nfs/dbraw/zinc/53/98/07/768539807.db2.gz IDACCFVIACCCCZ-XFMPKHEZSA-N 1 1 326.404 0.526 20 30 ECEDMO C[C@@H](CCNc1ccncc1C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106641635 768545110 /nfs/dbraw/zinc/54/51/10/768545110.db2.gz AXORCDGVJYPAFV-WOSRLPQWSA-N 1 1 331.420 0.401 20 30 ECEDMO C[C@@H](CCNc1ccncc1C#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106641635 768545112 /nfs/dbraw/zinc/54/51/12/768545112.db2.gz AXORCDGVJYPAFV-WOSRLPQWSA-N 1 1 331.420 0.401 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)CC[N@H+]1C ZINC001055224329 768682328 /nfs/dbraw/zinc/68/23/28/768682328.db2.gz JCNMAPSQSUTJML-XJBGLIRHSA-N 1 1 340.431 0.914 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001055251407 768710431 /nfs/dbraw/zinc/71/04/31/768710431.db2.gz APTSADRMLDHFJS-LVQVYYBASA-N 1 1 333.432 0.036 20 30 ECEDMO C=CCOCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001055251920 768711174 /nfs/dbraw/zinc/71/11/74/768711174.db2.gz NVVZMUJUSGGSCT-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn2c(=O)[nH]nc12 ZINC001018169415 768843853 /nfs/dbraw/zinc/84/38/53/768843853.db2.gz KFSCNBZOXTZMAC-BETUJISGSA-N 1 1 325.372 0.747 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn2c(=O)[nH]nc12 ZINC001018169415 768843861 /nfs/dbraw/zinc/84/38/61/768843861.db2.gz KFSCNBZOXTZMAC-BETUJISGSA-N 1 1 325.372 0.747 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 ZINC001055416106 768876138 /nfs/dbraw/zinc/87/61/38/768876138.db2.gz KIJQDRVFVMUCTE-MCIONIFRSA-N 1 1 337.387 0.779 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC000993390639 768937448 /nfs/dbraw/zinc/93/74/48/768937448.db2.gz FXGWRNXITVXMOA-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO Cc1cc(C(=O)NCC[NH+]2CCC(NC(=O)C#CC3CC3)CC2)on1 ZINC001055515882 768986614 /nfs/dbraw/zinc/98/66/14/768986614.db2.gz CLXFSUKWSQHQLG-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO C[C@H](C[C@H](C)Nc1nccnc1C#N)NC(=O)CC[NH+]1CCOCC1 ZINC001089353589 769009889 /nfs/dbraw/zinc/00/98/89/769009889.db2.gz BORKZECNPZELFC-KGLIPLIRSA-N 1 1 346.435 0.766 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055539286 769054155 /nfs/dbraw/zinc/05/41/55/769054155.db2.gz VGLODLJGWVSMJP-UHFFFAOYSA-N 1 1 336.480 0.745 20 30 ECEDMO C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCOCC1)Nc1ccncc1C#N ZINC001089354936 769079839 /nfs/dbraw/zinc/07/98/39/769079839.db2.gz MZRSECGKWWNEMD-CABCVRRESA-N 1 1 345.447 0.793 20 30 ECEDMO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cnnn2C)CC1 ZINC001055569558 769140019 /nfs/dbraw/zinc/14/00/19/769140019.db2.gz YNXAUROTTWHZGX-UHFFFAOYSA-N 1 1 348.451 0.338 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2ncn(C)n2)CC1 ZINC001055570753 769142544 /nfs/dbraw/zinc/14/25/44/769142544.db2.gz PCNJMOQIBJDRAY-UHFFFAOYSA-N 1 1 334.424 0.092 20 30 ECEDMO CC(C)C#CC(=O)NCCN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055572297 769148187 /nfs/dbraw/zinc/14/81/87/769148187.db2.gz CATQAXLECRSFQH-INIZCTEOSA-N 1 1 348.491 0.294 20 30 ECEDMO CC(C)C#CC(=O)NCCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055572297 769148191 /nfs/dbraw/zinc/14/81/91/769148191.db2.gz CATQAXLECRSFQH-INIZCTEOSA-N 1 1 348.491 0.294 20 30 ECEDMO CC[C@@H](C(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1)[NH+](C)C ZINC001055573896 769156315 /nfs/dbraw/zinc/15/63/15/769156315.db2.gz KPOPVFCPECWQBG-KRWDZBQOSA-N 1 1 348.491 0.437 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055580440 769178916 /nfs/dbraw/zinc/17/89/16/769178916.db2.gz JJOJAVVBBMDUSW-UHFFFAOYSA-N 1 1 348.451 0.717 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)CC(C)(C)O)C2)CC1 ZINC001018365783 769210953 /nfs/dbraw/zinc/21/09/53/769210953.db2.gz IXIYWSLJWWBPRM-MRXNPFEDSA-N 1 1 349.475 0.554 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042084054 782734367 /nfs/dbraw/zinc/73/43/67/782734367.db2.gz NAAYPEZLFLTMRA-UMVBOHGHSA-N 1 1 328.420 0.631 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)C[C@@H]21 ZINC001042082452 782728837 /nfs/dbraw/zinc/72/88/37/782728837.db2.gz GNENMRDUCPRSCW-GJZGRUSLSA-N 1 1 346.431 0.046 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@]2(F)CCOC2)CC1 ZINC001055621685 769274879 /nfs/dbraw/zinc/27/48/79/769274879.db2.gz HBZVMHFQIOSUAB-KRWDZBQOSA-N 1 1 341.427 0.778 20 30 ECEDMO C=CCCCC(=O)NCC[NH+]1CCC(NC(=O)Cc2nnc[nH]2)CC1 ZINC001055625843 769290633 /nfs/dbraw/zinc/29/06/33/769290633.db2.gz KHTSBGLBFGBGDS-UHFFFAOYSA-N 1 1 348.451 0.400 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2n[nH]cc2F)CC1 ZINC001055637639 769319806 /nfs/dbraw/zinc/31/98/06/769319806.db2.gz CWUGPJNCNYABIK-JTQLQIEISA-N 1 1 336.371 0.019 20 30 ECEDMO CCc1nocc1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055639206 769322897 /nfs/dbraw/zinc/32/28/97/769322897.db2.gz IIOUJERFVYVKPU-LBPRGKRZSA-N 1 1 347.419 0.707 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H]1C ZINC000993564814 769323527 /nfs/dbraw/zinc/32/35/27/769323527.db2.gz HCOASJNJKMTJIE-KBPBESRZSA-N 1 1 334.420 0.884 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)[C@H]2C)c1 ZINC000993768697 769587776 /nfs/dbraw/zinc/58/77/76/769587776.db2.gz FPEBCXRUBRZKIL-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)[C@H]2C)c1 ZINC000993768697 769587781 /nfs/dbraw/zinc/58/77/81/769587781.db2.gz FPEBCXRUBRZKIL-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H]1C ZINC000993771463 769593481 /nfs/dbraw/zinc/59/34/81/769593481.db2.gz LYAGRSDXWBESDW-CMPLNLGQSA-N 1 1 341.437 0.216 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000993833800 769718113 /nfs/dbraw/zinc/71/81/13/769718113.db2.gz KLKBOPWWTQNNKS-XNRPHZJLSA-N 1 1 343.431 0.805 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001018737909 769830249 /nfs/dbraw/zinc/83/02/49/769830249.db2.gz JIZSVTCMMINCIG-LBPRGKRZSA-N 1 1 328.380 0.458 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C1CC1 ZINC001018737914 769830704 /nfs/dbraw/zinc/83/07/04/769830704.db2.gz JRBIBYMZSBXYSW-JQWIXIFHSA-N 1 1 340.391 0.773 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1C ZINC001018739100 769832929 /nfs/dbraw/zinc/83/29/29/769832929.db2.gz XBZRGARXSXIIPL-LBPRGKRZSA-N 1 1 327.392 0.582 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccncc3C#N)CC2)C1 ZINC001055825098 769864278 /nfs/dbraw/zinc/86/42/78/769864278.db2.gz YRWNFOMZPABQOU-INIZCTEOSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccncc3C#N)CC2)C1 ZINC001055825098 769864294 /nfs/dbraw/zinc/86/42/94/769864294.db2.gz YRWNFOMZPABQOU-INIZCTEOSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001055832596 769896795 /nfs/dbraw/zinc/89/67/95/769896795.db2.gz OXHWINSRUAQXOP-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001055836743 769915836 /nfs/dbraw/zinc/91/58/36/769915836.db2.gz FBXRAJSUTXHEFB-KXBFYZLASA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055836934 769916534 /nfs/dbraw/zinc/91/65/34/769916534.db2.gz HYSNJGHRNDVMRZ-QAPCUYQASA-N 1 1 335.448 0.354 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994028196 770042951 /nfs/dbraw/zinc/04/29/51/770042951.db2.gz DZBMVKKCXWDXTH-UMVBOHGHSA-N 1 1 343.431 0.662 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994028125 770043692 /nfs/dbraw/zinc/04/36/92/770043692.db2.gz DLKHEOZKKZPBFD-BPLDGKMQSA-N 1 1 343.431 0.662 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001055910223 770178039 /nfs/dbraw/zinc/17/80/39/770178039.db2.gz JNBAEQDPIDMSRT-QFBILLFUSA-N 1 1 349.475 0.744 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001055933401 770271587 /nfs/dbraw/zinc/27/15/87/770271587.db2.gz OXKCZNGEOYMPLU-QFBILLFUSA-N 1 1 349.475 0.600 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)C#CC(C)(C)C)C1 ZINC001055940347 770298944 /nfs/dbraw/zinc/29/89/44/770298944.db2.gz LZTCAQTYBLFIGV-KXBFYZLASA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@H]21 ZINC001042132052 782825904 /nfs/dbraw/zinc/82/59/04/782825904.db2.gz CNKXHLZIZIYKFT-VXGBXAGGSA-N 1 1 337.401 0.097 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001055953950 770350205 /nfs/dbraw/zinc/35/02/05/770350205.db2.gz LWDXJDNWYJMMKN-DNVCBOLYSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055954482 770353414 /nfs/dbraw/zinc/35/34/14/770353414.db2.gz TZLCKNWBZCZMIX-CRAIPNDOSA-N 1 1 335.448 0.211 20 30 ECEDMO CC1(C)C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001089358687 770399662 /nfs/dbraw/zinc/39/96/62/770399662.db2.gz XYVLYRRJRXWXKW-SWLSCSKDSA-N 1 1 343.431 0.995 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001042138097 782835875 /nfs/dbraw/zinc/83/58/75/782835875.db2.gz KVWAYNCUJUBSJE-CZUORRHYSA-N 1 1 328.416 0.684 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001055986440 770455511 /nfs/dbraw/zinc/45/55/11/770455511.db2.gz GRHYDEQYLKYITH-DYVFJYSZSA-N 1 1 336.436 0.100 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(CC)n(C)n3)C2)nn1 ZINC001098798289 770472745 /nfs/dbraw/zinc/47/27/45/770472745.db2.gz UXVLAFLNJKJRPN-HNNXBMFYSA-N 1 1 343.435 0.937 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001055991372 770477754 /nfs/dbraw/zinc/47/77/54/770477754.db2.gz LJSSHPXSGHOPGJ-KRWDZBQOSA-N 1 1 343.431 0.711 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001055991372 770477759 /nfs/dbraw/zinc/47/77/59/770477759.db2.gz LJSSHPXSGHOPGJ-KRWDZBQOSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nn(CC)nc2C)C1 ZINC001018986294 770486957 /nfs/dbraw/zinc/48/69/57/770486957.db2.gz XPSIXFRVOJLVND-RDJZCZTQSA-N 1 1 344.463 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nn(CC)nc2C)C1 ZINC001018986294 770486962 /nfs/dbraw/zinc/48/69/62/770486962.db2.gz XPSIXFRVOJLVND-RDJZCZTQSA-N 1 1 344.463 0.395 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@H]21 ZINC001042143337 782845057 /nfs/dbraw/zinc/84/50/57/782845057.db2.gz WWVWIAXWOQVRCC-WMLDXEAASA-N 1 1 341.411 0.720 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001056020018 770574354 /nfs/dbraw/zinc/57/43/54/770574354.db2.gz ICIOQEGVNFCPAO-CYBMUJFWSA-N 1 1 328.420 0.647 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001056020710 770578292 /nfs/dbraw/zinc/57/82/92/770578292.db2.gz VTXUFHHPGWZEEO-DOMZBBRYSA-N 1 1 328.420 0.503 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)c2c[nH]c(C#N)c2)C3)C1 ZINC001019038707 770629399 /nfs/dbraw/zinc/62/93/99/770629399.db2.gz YUCWJEYTORFBAA-ZDUSSCGKSA-N 1 1 341.415 0.513 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CN1CC(=O)N(C)C1=O ZINC001099304941 770630262 /nfs/dbraw/zinc/63/02/62/770630262.db2.gz UYTOWMAEIAGIJI-CQSZACIVSA-N 1 1 348.447 0.511 20 30 ECEDMO CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001078398345 782869650 /nfs/dbraw/zinc/86/96/50/782869650.db2.gz NALHKPXHRTVBST-MRXNPFEDSA-N 1 1 345.447 0.727 20 30 ECEDMO CCn1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 ZINC001078399046 782871345 /nfs/dbraw/zinc/87/13/45/782871345.db2.gz WTIHIQLIOOHGCP-INIZCTEOSA-N 1 1 345.447 0.727 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056124265 770883096 /nfs/dbraw/zinc/88/30/96/770883096.db2.gz LHCAWQRBHPDLQN-KXBFYZLASA-N 1 1 347.459 0.354 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001056127734 770890622 /nfs/dbraw/zinc/89/06/22/770890622.db2.gz HDZNYFOLZOYALU-QFBILLFUSA-N 1 1 349.475 0.601 20 30 ECEDMO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001056182756 771004021 /nfs/dbraw/zinc/00/40/21/771004021.db2.gz RJHDNOKVRMTYKZ-HDEZJCGLSA-N 1 1 341.415 0.143 20 30 ECEDMO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001056182756 771004029 /nfs/dbraw/zinc/00/40/29/771004029.db2.gz RJHDNOKVRMTYKZ-HDEZJCGLSA-N 1 1 341.415 0.143 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)CC(C)(C)C1 ZINC001089395867 771033382 /nfs/dbraw/zinc/03/33/82/771033382.db2.gz BCZVRYPWRMAAPP-CQSZACIVSA-N 1 1 326.462 0.661 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4C#N)C[C@H]32)C1 ZINC001056253436 771045676 /nfs/dbraw/zinc/04/56/76/771045676.db2.gz KUNQZVKKMIWBAT-BCUIYNNISA-N 1 1 326.404 0.241 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC(C)(C)C1 ZINC001089401414 771059219 /nfs/dbraw/zinc/05/92/19/771059219.db2.gz UMQNUYUDYMGJSI-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056309919 771104699 /nfs/dbraw/zinc/10/46/99/771104699.db2.gz JCXWUPYNAJDWEU-BRWVUGGUSA-N 1 1 347.459 0.712 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)C1 ZINC001019364318 771207385 /nfs/dbraw/zinc/20/73/85/771207385.db2.gz CEEPWBQAKWAKNG-GJZGRUSLSA-N 1 1 348.447 0.316 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)C1 ZINC001019364318 771207387 /nfs/dbraw/zinc/20/73/87/771207387.db2.gz CEEPWBQAKWAKNG-GJZGRUSLSA-N 1 1 348.447 0.316 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001056401447 771226580 /nfs/dbraw/zinc/22/65/80/771226580.db2.gz GSEBWWDAHUMJJD-BBWFWOEESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001056409025 771239241 /nfs/dbraw/zinc/23/92/41/771239241.db2.gz PHFQZYTYEACHGL-YESZJQIVSA-N 1 1 347.459 0.570 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001056410189 771241772 /nfs/dbraw/zinc/24/17/72/771241772.db2.gz GNJZSKBRZBFDDQ-LCSDZXHASA-N 1 1 340.431 0.549 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)n2CC)C1 ZINC001019405372 771259164 /nfs/dbraw/zinc/25/91/64/771259164.db2.gz DQUSPDISVMJDSS-ZNMIVQPWSA-N 1 1 333.436 0.888 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001056450557 771281076 /nfs/dbraw/zinc/28/10/76/771281076.db2.gz ATTQVJMVCKNTBX-LQKXBSAESA-N 1 1 340.431 0.773 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001056450947 771281605 /nfs/dbraw/zinc/28/16/05/771281605.db2.gz IXNQQYSSRJCORJ-DLTWYDFYSA-N 1 1 340.431 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)COCC ZINC001056452911 771283177 /nfs/dbraw/zinc/28/31/77/771283177.db2.gz OBMYTZZXDRUWSR-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)COCC ZINC001056452911 771283182 /nfs/dbraw/zinc/28/31/82/771283182.db2.gz OBMYTZZXDRUWSR-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC001019443050 771294041 /nfs/dbraw/zinc/29/40/41/771294041.db2.gz GFHCAGWUKIERIG-GDBMZVCRSA-N 1 1 329.444 0.658 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nncn3C)C2)cc1 ZINC001019478584 771342014 /nfs/dbraw/zinc/34/20/14/771342014.db2.gz ICCZPGZQTYQMDO-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC(C)(C)C1 ZINC001089508739 771372944 /nfs/dbraw/zinc/37/29/44/771372944.db2.gz ZYBQCGBBMNXCPF-OLZOCXBDSA-N 1 1 336.436 0.767 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC(C)(C)C1 ZINC001089535935 771411888 /nfs/dbraw/zinc/41/18/88/771411888.db2.gz YCJBRZPKNYEGKN-ZDUSSCGKSA-N 1 1 348.447 0.557 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC(C)(C)C2)nc1 ZINC001089543936 771437809 /nfs/dbraw/zinc/43/78/09/771437809.db2.gz JWHMRALHZBZIMK-AWEZNQCLSA-N 1 1 328.416 0.769 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001056628045 771445881 /nfs/dbraw/zinc/44/58/81/771445881.db2.gz CFTLDPBYXCGWAV-GVDBMIGSSA-N 1 1 347.459 0.570 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCCO1 ZINC001089547917 771448962 /nfs/dbraw/zinc/44/89/62/771448962.db2.gz HVOYJIQOZRXRTR-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)CC(C)(C)C1 ZINC001089552351 771462095 /nfs/dbraw/zinc/46/20/95/771462095.db2.gz BKDKUVAEBAVGNX-AWEZNQCLSA-N 1 1 333.432 0.766 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc4c3nnn4C)C[C@H]21 ZINC001042200381 782927953 /nfs/dbraw/zinc/92/79/53/782927953.db2.gz BXZOFXVWYFVJJN-UKRRQHHQSA-N 1 1 338.415 0.923 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)CC(C)(C)C1 ZINC001089557209 771479273 /nfs/dbraw/zinc/47/92/73/771479273.db2.gz XRRPZXRBDRTBDA-ZDUSSCGKSA-N 1 1 343.431 0.819 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001056665105 771486796 /nfs/dbraw/zinc/48/67/96/771486796.db2.gz HFRLMEMFAGFLPF-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001056666536 771489609 /nfs/dbraw/zinc/48/96/09/771489609.db2.gz SEETYXHODLRJHB-IXDOHACOSA-N 1 1 349.475 0.814 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC001089560800 771490778 /nfs/dbraw/zinc/49/07/78/771490778.db2.gz HMHMLHZJILCAMD-KGLIPLIRSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC001089560800 771490780 /nfs/dbraw/zinc/49/07/80/771490780.db2.gz HMHMLHZJILCAMD-KGLIPLIRSA-N 1 1 326.462 0.804 20 30 ECEDMO C[C@@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031623414 771506654 /nfs/dbraw/zinc/50/66/54/771506654.db2.gz FHZDQHJVUQDRKV-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(OC)no3)C2)C1=O ZINC001031625374 771514327 /nfs/dbraw/zinc/51/43/27/771514327.db2.gz MSERINPDXLWRHD-GFCCVEGCSA-N 1 1 334.376 0.132 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CC(N)=O)CC(C)(C)C2)CC1 ZINC001089564800 771516529 /nfs/dbraw/zinc/51/65/29/771516529.db2.gz JKHLAMJPUWUTEJ-INIZCTEOSA-N 1 1 348.491 0.424 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001056693404 771523390 /nfs/dbraw/zinc/52/33/90/771523390.db2.gz SOWGMEZPARRKMA-MWDXBVQZSA-N 1 1 347.459 0.568 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)CC(C)(C)C1 ZINC001089566629 771525271 /nfs/dbraw/zinc/52/52/71/771525271.db2.gz PKZGVCYVEFSZAY-AWEZNQCLSA-N 1 1 332.448 0.968 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3CCC)C2)nc1 ZINC001019676890 771704413 /nfs/dbraw/zinc/70/44/13/771704413.db2.gz IUXDDNAMMLAZKV-AWEZNQCLSA-N 1 1 339.403 0.464 20 30 ECEDMO CN(c1ncccc1C#N)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001056879327 771755647 /nfs/dbraw/zinc/75/56/47/771755647.db2.gz AORDUIAYNSXUFD-GJZGRUSLSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ncccc1C#N)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001056879327 771755650 /nfs/dbraw/zinc/75/56/50/771755650.db2.gz AORDUIAYNSXUFD-GJZGRUSLSA-N 1 1 329.404 0.321 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)nc3)C2)C1 ZINC001056930328 771821232 /nfs/dbraw/zinc/82/12/32/771821232.db2.gz HLIQKDOTBNRKSG-SJORKVTESA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)nc3)C2)C1 ZINC001056930328 771821236 /nfs/dbraw/zinc/82/12/36/771821236.db2.gz HLIQKDOTBNRKSG-SJORKVTESA-N 1 1 343.431 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC=CCC1 ZINC001056945295 771844356 /nfs/dbraw/zinc/84/43/56/771844356.db2.gz OWMMAFAUTSROBP-IRXDYDNUSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC=CCC1 ZINC001056945295 771844364 /nfs/dbraw/zinc/84/43/64/771844364.db2.gz OWMMAFAUTSROBP-IRXDYDNUSA-N 1 1 347.459 0.377 20 30 ECEDMO Cc1ccc(C#N)c(N2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001057115319 772108766 /nfs/dbraw/zinc/10/87/66/772108766.db2.gz MUXUONJTRJKHKK-MRXNPFEDSA-N 1 1 343.431 0.631 20 30 ECEDMO Cc1ccc(C#N)c(N2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001057115319 772108769 /nfs/dbraw/zinc/10/87/69/772108769.db2.gz MUXUONJTRJKHKK-MRXNPFEDSA-N 1 1 343.431 0.631 20 30 ECEDMO COCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001020057805 772114281 /nfs/dbraw/zinc/11/42/81/772114281.db2.gz LFJMJZTZNCJPMQ-XYPYZODXSA-N 1 1 330.348 0.466 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnns2)[C@H]1C ZINC001020090068 772147513 /nfs/dbraw/zinc/14/75/13/772147513.db2.gz OSVRJFDMJFQNKY-AVGNSLFASA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnns2)[C@H]1C ZINC001020090068 772147516 /nfs/dbraw/zinc/14/75/16/772147516.db2.gz OSVRJFDMJFQNKY-AVGNSLFASA-N 1 1 347.444 0.355 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001020091223 772148733 /nfs/dbraw/zinc/14/87/33/772148733.db2.gz KNSBTDYQWLETIP-JOCQHMNTSA-N 1 1 342.407 0.724 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C[C@H]21 ZINC001042254612 782988920 /nfs/dbraw/zinc/98/89/20/782988920.db2.gz MOUGFJMRKNGHPH-UKRRQHHQSA-N 1 1 346.431 0.197 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@@H](C[NH2+]Cc3ncnn3C)C2)C1 ZINC001078464795 782996647 /nfs/dbraw/zinc/99/66/47/782996647.db2.gz HTVAVWMVAPWUCV-AWEZNQCLSA-N 1 1 333.436 0.879 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CCC[C@H]1C)NC(=O)CSCC#N ZINC001078465799 782997948 /nfs/dbraw/zinc/99/79/48/782997948.db2.gz KEWZYPKTUALOQK-QWHCGFSZSA-N 1 1 326.466 0.738 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnon3)C2)c1 ZINC001078466771 783001416 /nfs/dbraw/zinc/00/14/16/783001416.db2.gz LBCFXSHLXWBGDF-INIZCTEOSA-N 1 1 341.371 0.467 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nc(COC)no2)C1 ZINC001020250878 772351197 /nfs/dbraw/zinc/35/11/97/772351197.db2.gz VNKULESBMQOLMS-IHRRRGAJSA-N 1 1 347.419 0.050 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nc(COC)no2)C1 ZINC001020250878 772351204 /nfs/dbraw/zinc/35/12/04/772351204.db2.gz VNKULESBMQOLMS-IHRRRGAJSA-N 1 1 347.419 0.050 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001078472051 783015372 /nfs/dbraw/zinc/01/53/72/783015372.db2.gz MPSFAKVSUBYWON-XHSDSOJGSA-N 1 1 346.431 0.775 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 ZINC001057334864 772479951 /nfs/dbraw/zinc/47/99/51/772479951.db2.gz HIYKBGLIUSIIAS-UHFFFAOYSA-N 1 1 325.376 0.956 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccc(C#N)nn3)CC2)C1 ZINC001057337353 772483075 /nfs/dbraw/zinc/48/30/75/772483075.db2.gz ROZVKCCREIOCOQ-HNNXBMFYSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccc(C#N)nn3)CC2)C1 ZINC001057337353 772483076 /nfs/dbraw/zinc/48/30/76/772483076.db2.gz ROZVKCCREIOCOQ-HNNXBMFYSA-N 1 1 344.419 0.472 20 30 ECEDMO N#Cc1cnc(NC2CCN(C(=O)CC[NH+]3CCOCC3)CC2)cn1 ZINC001057345566 772494095 /nfs/dbraw/zinc/49/40/95/772494095.db2.gz GRIPEFMEDLVZMR-UHFFFAOYSA-N 1 1 344.419 0.473 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001020405270 772548527 /nfs/dbraw/zinc/54/85/27/772548527.db2.gz JCCUVPTZZYYOEQ-FZKCQIBNSA-N 1 1 346.431 0.888 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(Nc2ccncc2C#N)CC1 ZINC001057426714 772601297 /nfs/dbraw/zinc/60/12/97/772601297.db2.gz FFIZELXAJQLXGW-CJNGLKHVSA-N 1 1 327.432 0.976 20 30 ECEDMO CC(C)c1[nH+]ccn1CCC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001057564345 772758766 /nfs/dbraw/zinc/75/87/66/772758766.db2.gz QCOVENLUEGFKJL-AWEZNQCLSA-N 1 1 349.435 0.493 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001057601683 772799543 /nfs/dbraw/zinc/79/95/43/772799543.db2.gz RUSJXHOWAXVBOQ-HNNXBMFYSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001057694874 772919046 /nfs/dbraw/zinc/91/90/46/772919046.db2.gz RADXYPPTKYWUMR-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739317 772955945 /nfs/dbraw/zinc/95/59/45/772955945.db2.gz UZUOSBICCFBFNH-HUUCEWRRSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2nccc(OC)n2)C1 ZINC001057773926 772974885 /nfs/dbraw/zinc/97/48/85/772974885.db2.gz ZGUUTCZDJBKTDX-CABCVRRESA-N 1 1 343.431 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2nccc(OC)n2)C1 ZINC001057773926 772974888 /nfs/dbraw/zinc/97/48/88/772974888.db2.gz ZGUUTCZDJBKTDX-CABCVRRESA-N 1 1 343.431 0.986 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001057845510 773064255 /nfs/dbraw/zinc/06/42/55/773064255.db2.gz KCTAIOQBNFWGEM-HNNXBMFYSA-N 1 1 347.394 0.508 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001057845510 773064257 /nfs/dbraw/zinc/06/42/57/773064257.db2.gz KCTAIOQBNFWGEM-HNNXBMFYSA-N 1 1 347.394 0.508 20 30 ECEDMO C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001057853084 773072085 /nfs/dbraw/zinc/07/20/85/773072085.db2.gz CKXNJXGIPMJNEJ-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001057864544 773093093 /nfs/dbraw/zinc/09/30/93/773093093.db2.gz WMUVRSYZJXGZKU-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001076833825 783068413 /nfs/dbraw/zinc/06/84/13/783068413.db2.gz TYLBQLWDDFQZEO-JKSUJKDBSA-N 1 1 349.475 0.769 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccncc3C#N)CC2)C1 ZINC001057876059 773112673 /nfs/dbraw/zinc/11/26/73/773112673.db2.gz ZRVURVITNYOBKL-QGZVFWFLSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccncc3C#N)CC2)C1 ZINC001057876059 773112675 /nfs/dbraw/zinc/11/26/75/773112675.db2.gz ZRVURVITNYOBKL-QGZVFWFLSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ncccc3C#N)CC2)C1 ZINC001057875878 773112691 /nfs/dbraw/zinc/11/26/91/773112691.db2.gz PSAJUYOXVKEDGY-INIZCTEOSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ncccc3C#N)CC2)C1 ZINC001057875878 773112693 /nfs/dbraw/zinc/11/26/93/773112693.db2.gz PSAJUYOXVKEDGY-INIZCTEOSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057875905 773112823 /nfs/dbraw/zinc/11/28/23/773112823.db2.gz QNTZZFVNLKUQNC-HNNXBMFYSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057875905 773112826 /nfs/dbraw/zinc/11/28/26/773112826.db2.gz QNTZZFVNLKUQNC-HNNXBMFYSA-N 1 1 344.419 0.154 20 30 ECEDMO C=CCCOCC(=O)N(CCO)CCNC(=O)CC[N@H+](C)CCC ZINC001057918930 773183329 /nfs/dbraw/zinc/18/33/29/773183329.db2.gz FSLVWZLOLNVCDA-UHFFFAOYSA-N 1 1 343.468 0.248 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C2CC2)CC1 ZINC001057962126 773293794 /nfs/dbraw/zinc/29/37/94/773293794.db2.gz IXDGEJURQSPKDC-INIZCTEOSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C2CC2)CC1 ZINC001057962126 773293797 /nfs/dbraw/zinc/29/37/97/773293797.db2.gz IXDGEJURQSPKDC-INIZCTEOSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CC2(CC2)C1 ZINC001057962426 773295238 /nfs/dbraw/zinc/29/52/38/773295238.db2.gz VYKNOKWFZCZQER-INIZCTEOSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CC2(CC2)C1 ZINC001057962426 773295242 /nfs/dbraw/zinc/29/52/42/773295242.db2.gz VYKNOKWFZCZQER-INIZCTEOSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC1(C)CC1 ZINC001057962495 773295380 /nfs/dbraw/zinc/29/53/80/773295380.db2.gz YNDBNFSGSNZNOT-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC1(C)CC1 ZINC001057962495 773295382 /nfs/dbraw/zinc/29/53/82/773295382.db2.gz YNDBNFSGSNZNOT-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040612874 783100617 /nfs/dbraw/zinc/10/06/17/783100617.db2.gz GORIMRSPKAONBT-CRAIPNDOSA-N 1 1 335.448 0.211 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058087084 773508609 /nfs/dbraw/zinc/50/86/09/773508609.db2.gz CWOCWGAKDYCYNJ-XJKSGUPXSA-N 1 1 342.447 0.973 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N(CCO)CCNC(=O)[C@H](C)C#N ZINC001058096514 773529482 /nfs/dbraw/zinc/52/94/82/773529482.db2.gz HYLQXYMOQKZXJO-CYBMUJFWSA-N 1 1 335.408 0.069 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058134889 773605642 /nfs/dbraw/zinc/60/56/42/773605642.db2.gz QSMXDQLOXAPGJZ-DZGCQCFKSA-N 1 1 347.394 0.508 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058134889 773605645 /nfs/dbraw/zinc/60/56/45/773605645.db2.gz QSMXDQLOXAPGJZ-DZGCQCFKSA-N 1 1 347.394 0.508 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058158010 773659562 /nfs/dbraw/zinc/65/95/62/773659562.db2.gz NACSALDTBLWYDS-OAHLLOKOSA-N 1 1 325.453 0.622 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058164149 773675162 /nfs/dbraw/zinc/67/51/62/773675162.db2.gz KADQASFACYNQPD-CYBMUJFWSA-N 1 1 325.376 0.638 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058257475 773858537 /nfs/dbraw/zinc/85/85/37/773858537.db2.gz XRSIUTSSXAUTTD-LSDHHAIUSA-N 1 1 327.469 0.724 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058288260 773923689 /nfs/dbraw/zinc/92/36/89/773923689.db2.gz XCAAGBJRIYXNTC-OAHLLOKOSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058288233 773923859 /nfs/dbraw/zinc/92/38/59/773923859.db2.gz WDRINKWFEJNNFY-CABCVRRESA-N 1 1 339.480 0.724 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3cccc(F)c3C#N)C2)C1 ZINC001058317125 773961302 /nfs/dbraw/zinc/96/13/02/773961302.db2.gz PBMUMPUSQCYLIY-WBMJQRKESA-N 1 1 332.379 0.723 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3cccc(F)c3C#N)C2)C1 ZINC001058317125 773961307 /nfs/dbraw/zinc/96/13/07/773961307.db2.gz PBMUMPUSQCYLIY-WBMJQRKESA-N 1 1 332.379 0.723 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001058368159 774042485 /nfs/dbraw/zinc/04/24/85/774042485.db2.gz MZDHQEQFWYFVOO-HNNXBMFYSA-N 1 1 340.468 0.595 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001040636382 783149021 /nfs/dbraw/zinc/14/90/21/783149021.db2.gz INFYEQZQLILETK-ARFHVFGLSA-N 1 1 325.416 0.942 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001040636570 783149343 /nfs/dbraw/zinc/14/93/43/783149343.db2.gz KYNQSPIPFAFVED-GRDNDAEWSA-N 1 1 325.416 0.942 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058403683 774114965 /nfs/dbraw/zinc/11/49/65/774114965.db2.gz VXGDGNUBBLYOHS-KGLIPLIRSA-N 1 1 342.447 0.947 20 30 ECEDMO N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)nn1 ZINC001058469929 774246223 /nfs/dbraw/zinc/24/62/23/774246223.db2.gz VIQJYBBZQZXWIY-KBPBESRZSA-N 1 1 337.387 0.817 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058521728 774354494 /nfs/dbraw/zinc/35/44/94/774354494.db2.gz SBCRBAJQMSJODH-NVXWUHKLSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058521728 774354502 /nfs/dbraw/zinc/35/45/02/774354502.db2.gz SBCRBAJQMSJODH-NVXWUHKLSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)CC[N@H+]1C ZINC001058573353 774456935 /nfs/dbraw/zinc/45/69/35/774456935.db2.gz KCTAYAAMKKVDQP-VNHYZAJKSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CCN(c1ccc(C#N)nn1)CC2 ZINC001058627337 774566595 /nfs/dbraw/zinc/56/65/95/774566595.db2.gz OSLRPAYFOPMNBU-LSDHHAIUSA-N 1 1 340.431 0.918 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001045102916 774982021 /nfs/dbraw/zinc/98/20/21/774982021.db2.gz PDWKDSMXRUHJFF-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)C1 ZINC001040674509 783231543 /nfs/dbraw/zinc/23/15/43/783231543.db2.gz VEWUBNCZLXIHHY-SOUVJXGZSA-N 1 1 340.431 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC[C@@H](C)CC)C1 ZINC001045229168 775182542 /nfs/dbraw/zinc/18/25/42/775182542.db2.gz PKZMUQQJNOJJJE-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC[C@@H](C)CC)C1 ZINC001045229168 775182549 /nfs/dbraw/zinc/18/25/49/775182549.db2.gz PKZMUQQJNOJJJE-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O ZINC001043992769 775475065 /nfs/dbraw/zinc/47/50/65/775475065.db2.gz NIJPDRYLIQEIAJ-PMPSAXMXSA-N 1 1 343.431 0.493 20 30 ECEDMO C=C(C)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028764 790383122 /nfs/dbraw/zinc/38/31/22/790383122.db2.gz BXURRAKOPYUTPL-OAGGEKHMSA-N 1 1 332.452 0.538 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3C#N)C2)C1 ZINC001068496945 790408764 /nfs/dbraw/zinc/40/87/64/790408764.db2.gz IUSYRZANAKFFQE-FVQBIDKESA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3C#N)C2)C1 ZINC001068496945 790408770 /nfs/dbraw/zinc/40/87/70/790408770.db2.gz IUSYRZANAKFFQE-FVQBIDKESA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccncc3C#N)C2)C1 ZINC001068497188 790409476 /nfs/dbraw/zinc/40/94/76/790409476.db2.gz NTQXWDCLGPJJGM-FRFSOERESA-N 1 1 343.431 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccncc3C#N)C2)C1 ZINC001068497188 790409483 /nfs/dbraw/zinc/40/94/83/790409483.db2.gz NTQXWDCLGPJJGM-FRFSOERESA-N 1 1 343.431 0.403 20 30 ECEDMO C#CCC[NH+]1CCC2(CO[C@H](CNC(=O)C3=NC(=O)N(C)C3)C2)CC1 ZINC001045679591 776027702 /nfs/dbraw/zinc/02/77/02/776027702.db2.gz LJQSJGONMRMHGU-AWEZNQCLSA-N 1 1 346.431 0.750 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CN(C[C@H]3C[C@]34CCOC4)C2)CC1 ZINC001044335558 776179083 /nfs/dbraw/zinc/17/90/83/776179083.db2.gz JPTKSAQLZDZOMI-XLIONFOSSA-N 1 1 345.487 0.901 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H](n2ccnn2)C1 ZINC001070042512 790429790 /nfs/dbraw/zinc/42/97/90/790429790.db2.gz PQNRKUCEACIFDL-CVEARBPZSA-N 1 1 341.419 0.563 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H](n2ccnn2)C1 ZINC001070042512 790429799 /nfs/dbraw/zinc/42/97/99/790429799.db2.gz PQNRKUCEACIFDL-CVEARBPZSA-N 1 1 341.419 0.563 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001044405223 776281330 /nfs/dbraw/zinc/28/13/30/776281330.db2.gz UQHHWAVLNYGPCQ-KBPBESRZSA-N 1 1 337.464 0.476 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001068506740 790435338 /nfs/dbraw/zinc/43/53/38/790435338.db2.gz VMMFOAFTHSEPCE-IHRRRGAJSA-N 1 1 328.420 0.997 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001044478407 776339751 /nfs/dbraw/zinc/33/97/51/776339751.db2.gz GCPBCZBBDASZRJ-OKILXGFUSA-N 1 1 337.464 0.761 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001079690729 776695250 /nfs/dbraw/zinc/69/52/50/776695250.db2.gz DYVXOLHRIQIBGG-VNHYZAJKSA-N 1 1 331.420 0.775 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704080 776729247 /nfs/dbraw/zinc/72/92/47/776729247.db2.gz HQOCFCRDEDGMKT-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704080 776729256 /nfs/dbraw/zinc/72/92/56/776729256.db2.gz HQOCFCRDEDGMKT-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC)nn2)[C@@H](n2ccnn2)C1 ZINC001070065632 790490196 /nfs/dbraw/zinc/49/01/96/790490196.db2.gz AWTRYVJPHUXWJI-HIFRSBDPSA-N 1 1 344.423 0.511 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079860238 776990850 /nfs/dbraw/zinc/99/08/50/776990850.db2.gz XMJJZCPFZHTUCH-IIAWOOMASA-N 1 1 337.464 0.977 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001079861099 776992627 /nfs/dbraw/zinc/99/26/27/776992627.db2.gz MNLMWJIAFKDJOY-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2ccc[nH]2)C1 ZINC001079868682 777002355 /nfs/dbraw/zinc/00/23/55/777002355.db2.gz SFAKFQWXCRTQJQ-KRWDZBQOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2ccc[nH]2)C1 ZINC001079868682 777002360 /nfs/dbraw/zinc/00/23/60/777002360.db2.gz SFAKFQWXCRTQJQ-KRWDZBQOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@H]1C ZINC001079878050 777011818 /nfs/dbraw/zinc/01/18/18/777011818.db2.gz DDTXLBFBVWWFDY-ZACQAIPSSA-N 1 1 343.475 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@H]1C ZINC001079878050 777011825 /nfs/dbraw/zinc/01/18/25/777011825.db2.gz DDTXLBFBVWWFDY-ZACQAIPSSA-N 1 1 343.475 0.937 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001079902099 777048891 /nfs/dbraw/zinc/04/88/91/777048891.db2.gz JTFJPHVTMWKIBB-YUELXQCFSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001079902099 777048895 /nfs/dbraw/zinc/04/88/95/777048895.db2.gz JTFJPHVTMWKIBB-YUELXQCFSA-N 1 1 345.447 0.566 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001079921413 777084494 /nfs/dbraw/zinc/08/44/94/777084494.db2.gz LGIXURYLCQHNKC-IYBDPMFKSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)O1 ZINC001068537158 790508362 /nfs/dbraw/zinc/50/83/62/790508362.db2.gz DNLKWQVZCLEJCV-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCCC(=O)N1CC(N(CC)C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001079944342 777122017 /nfs/dbraw/zinc/12/20/17/777122017.db2.gz YSOIJBSNMPIZAP-INIZCTEOSA-N 1 1 347.463 0.839 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001079978049 777183169 /nfs/dbraw/zinc/18/31/69/777183169.db2.gz CPTQZVIWSZVOIV-GDBMZVCRSA-N 1 1 337.464 0.836 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001070076822 790524042 /nfs/dbraw/zinc/52/40/42/790524042.db2.gz WISNICSDQOFMIT-OLZOCXBDSA-N 1 1 329.408 0.507 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001070076822 790524051 /nfs/dbraw/zinc/52/40/51/790524051.db2.gz WISNICSDQOFMIT-OLZOCXBDSA-N 1 1 329.408 0.507 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080265213 777629359 /nfs/dbraw/zinc/62/93/59/777629359.db2.gz WKPOYDVFPBUFHU-OIISXLGYSA-N 1 1 340.427 0.498 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080265213 777629365 /nfs/dbraw/zinc/62/93/65/777629365.db2.gz WKPOYDVFPBUFHU-OIISXLGYSA-N 1 1 340.427 0.498 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043120561 777767415 /nfs/dbraw/zinc/76/74/15/777767415.db2.gz PRSQAHAOBLIWRF-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@H](C)COC)C1 ZINC001080428769 777842439 /nfs/dbraw/zinc/84/24/39/777842439.db2.gz JTIQHQLMGQEOKV-RDJZCZTQSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@H](C)COC)C1 ZINC001080428769 777842452 /nfs/dbraw/zinc/84/24/52/777842452.db2.gz JTIQHQLMGQEOKV-RDJZCZTQSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC001068563395 790576540 /nfs/dbraw/zinc/57/65/40/790576540.db2.gz QBXWDRCVOJBKEQ-JKSUJKDBSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043207054 777959098 /nfs/dbraw/zinc/95/90/98/777959098.db2.gz LBIWUQDJAHWKAW-ZIAGYGMSSA-N 1 1 337.464 0.476 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001043235613 778027230 /nfs/dbraw/zinc/02/72/30/778027230.db2.gz WIISETVXMOQGNV-GJZGRUSLSA-N 1 1 335.448 0.659 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1nccnc1C#N ZINC001043252882 778048490 /nfs/dbraw/zinc/04/84/90/778048490.db2.gz VPAHBHGHRWEXFL-VNHYZAJKSA-N 1 1 328.420 0.949 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043326046 778160622 /nfs/dbraw/zinc/16/06/22/778160622.db2.gz ADECHVMASWCPHL-KFWWJZLASA-N 1 1 342.447 0.902 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001043531612 778480913 /nfs/dbraw/zinc/48/09/13/778480913.db2.gz UJHSSOQEGXKKKN-QGZVFWFLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001043532654 778483150 /nfs/dbraw/zinc/48/31/50/778483150.db2.gz CJOMEWLIYUVNAT-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001043537093 778491025 /nfs/dbraw/zinc/49/10/25/778491025.db2.gz RNABBBHQWMJQAF-UONOGXRCSA-N 1 1 337.464 0.618 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070108635 790630112 /nfs/dbraw/zinc/63/01/12/790630112.db2.gz JRYBKJKBBHOLNN-HNNXBMFYSA-N 1 1 335.448 0.379 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CCCC1 ZINC001043828083 778923339 /nfs/dbraw/zinc/92/33/39/778923339.db2.gz ZDRYIHWRQYEAPZ-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1 ZINC001070140942 790730994 /nfs/dbraw/zinc/73/09/94/790730994.db2.gz DIJCZBCEIRHRPH-OLZOCXBDSA-N 1 1 335.799 0.269 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]21 ZINC001042287710 779995114 /nfs/dbraw/zinc/99/51/14/779995114.db2.gz MKZOEECIWHNKFS-DLBZAZTESA-N 1 1 342.443 0.806 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cnccc3=O)C[C@@H]21 ZINC001042291827 780004398 /nfs/dbraw/zinc/00/43/98/780004398.db2.gz HGDOTPQLYSBEQJ-HOTGVXAUSA-N 1 1 328.416 0.580 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 ZINC001042301242 780021449 /nfs/dbraw/zinc/02/14/49/780021449.db2.gz FDMPRZNMJWGEKE-HUUCEWRRSA-N 1 1 348.447 0.817 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC)[C@H]3C2)nc1 ZINC001042316680 780060647 /nfs/dbraw/zinc/06/06/47/780060647.db2.gz QWNUBVSKBQNCAU-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC)[C@H]3C2)nc1 ZINC001042316680 780060657 /nfs/dbraw/zinc/06/06/57/780060657.db2.gz QWNUBVSKBQNCAU-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@H]21 ZINC001042317182 780062015 /nfs/dbraw/zinc/06/20/15/780062015.db2.gz WSTYPFXIZOSOHF-JKSUJKDBSA-N 1 1 328.416 0.498 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC001042333842 780088452 /nfs/dbraw/zinc/08/84/52/780088452.db2.gz QIXHGSWBBTYPJI-ZIAGYGMSSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]21 ZINC001042353357 780125277 /nfs/dbraw/zinc/12/52/77/780125277.db2.gz LQXVALQMJYXBPC-DZGCQCFKSA-N 1 1 346.431 0.989 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C ZINC001042358767 780140339 /nfs/dbraw/zinc/14/03/39/780140339.db2.gz MQVLRAFTQXEYCR-DGCLKSJQSA-N 1 1 325.376 0.494 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)C[C@@H]21 ZINC001042366069 780152534 /nfs/dbraw/zinc/15/25/34/780152534.db2.gz RZSBFCSHTMJRRF-PBHICJAKSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCCO)[C@@H]3C2)CC1 ZINC001042369289 780157893 /nfs/dbraw/zinc/15/78/93/780157893.db2.gz WBIBNMFTVRGMGQ-FUHWJXTLSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCCO)[C@@H]3C2)CC1 ZINC001042369289 780157896 /nfs/dbraw/zinc/15/78/96/780157896.db2.gz WBIBNMFTVRGMGQ-FUHWJXTLSA-N 1 1 333.476 0.637 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2C)C1 ZINC001042501890 780359182 /nfs/dbraw/zinc/35/91/82/780359182.db2.gz AOOPHAZGZANVMZ-UMVBOHGHSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042511212 780368859 /nfs/dbraw/zinc/36/88/59/780368859.db2.gz YJQPOVFOBLCLSY-UMVBOHGHSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001078896788 780594193 /nfs/dbraw/zinc/59/41/93/780594193.db2.gz UBMWNQAGQGNKPD-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001078896788 780594196 /nfs/dbraw/zinc/59/41/96/780594196.db2.gz UBMWNQAGQGNKPD-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001042776648 780797122 /nfs/dbraw/zinc/79/71/22/780797122.db2.gz QXHADZQTWUJPRH-HZSPNIEDSA-N 1 1 349.460 0.737 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NCC#N)C2)C1 ZINC001079176705 780853183 /nfs/dbraw/zinc/85/31/83/780853183.db2.gz MXISPFVHWUGICI-BBWFWOEESA-N 1 1 346.406 0.564 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NCC#N)C2)C1 ZINC001079176705 780853190 /nfs/dbraw/zinc/85/31/90/780853190.db2.gz MXISPFVHWUGICI-BBWFWOEESA-N 1 1 346.406 0.564 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001042835818 780914892 /nfs/dbraw/zinc/91/48/92/780914892.db2.gz NACUMEQEWDXCAJ-JGGQBBKZSA-N 1 1 329.404 0.225 20 30 ECEDMO C=CC[NH+]1CCC2(CN(C(=O)C3=NC(=O)N(C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258629 780931245 /nfs/dbraw/zinc/93/12/45/780931245.db2.gz IGQUAXAXOVPBEJ-DZGCQCFKSA-N 1 1 346.431 0.865 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001079389154 781063960 /nfs/dbraw/zinc/06/39/60/781063960.db2.gz JDTBIHBMZIRXHD-MRVWCRGKSA-N 1 1 345.403 0.019 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(CC)s2)C1 ZINC001042961112 781104004 /nfs/dbraw/zinc/10/40/04/781104004.db2.gz YIAIZGZALDDSKJ-AWEZNQCLSA-N 1 1 347.488 0.841 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(CC)s2)C1 ZINC001042961112 781104008 /nfs/dbraw/zinc/10/40/08/781104008.db2.gz YIAIZGZALDDSKJ-AWEZNQCLSA-N 1 1 347.488 0.841 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001042973801 781122534 /nfs/dbraw/zinc/12/25/34/781122534.db2.gz BKEFKPMFBUQYDF-IAOVAPTHSA-N 1 1 343.431 0.615 20 30 ECEDMO CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001043016493 781186886 /nfs/dbraw/zinc/18/68/86/781186886.db2.gz NRKQZBLZWQIVHP-RBSFLKMASA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001079505253 781199684 /nfs/dbraw/zinc/19/96/84/781199684.db2.gz PDLSEYOKWKKUNX-BMFZPTHFSA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001079505253 781199687 /nfs/dbraw/zinc/19/96/87/781199687.db2.gz PDLSEYOKWKKUNX-BMFZPTHFSA-N 1 1 345.447 0.740 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526190 781221481 /nfs/dbraw/zinc/22/14/81/781221481.db2.gz JCSIUGVEEOVFJA-ZTFGCOKTSA-N 1 1 342.443 0.825 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588361 781290530 /nfs/dbraw/zinc/29/05/30/781290530.db2.gz FPOYHGHUYNIHNF-MLGOLLRUSA-N 1 1 339.399 0.835 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001079589271 781290905 /nfs/dbraw/zinc/29/09/05/781290905.db2.gz AHWGISXISWWOCJ-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001079589271 781290911 /nfs/dbraw/zinc/29/09/11/781290911.db2.gz AHWGISXISWWOCJ-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079601247 781307603 /nfs/dbraw/zinc/30/76/03/781307603.db2.gz PYGJAZKGFVNITB-MLGOLLRUSA-N 1 1 326.404 0.913 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)CC1 ZINC001077625049 781374365 /nfs/dbraw/zinc/37/43/65/781374365.db2.gz OGDYEYDVBUELNC-IAGOWNOFSA-N 1 1 332.448 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC(C)C)C1 ZINC001041381172 781400499 /nfs/dbraw/zinc/40/04/99/781400499.db2.gz BCRBOVFYXZLAKW-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC(C)C)C1 ZINC001041381172 781400504 /nfs/dbraw/zinc/40/05/04/781400504.db2.gz BCRBOVFYXZLAKW-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC001041398309 781432670 /nfs/dbraw/zinc/43/26/70/781432670.db2.gz HXCLMRXQRAVDDQ-SFHVURJKSA-N 1 1 328.416 0.948 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC001041405621 781445589 /nfs/dbraw/zinc/44/55/89/781445589.db2.gz CZUVPTVVUKIUDR-GOSISDBHSA-N 1 1 328.416 0.975 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001077660159 781447389 /nfs/dbraw/zinc/44/73/89/781447389.db2.gz SCTTUTXGLXQOQH-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001041418771 781467321 /nfs/dbraw/zinc/46/73/21/781467321.db2.gz OCLFYXZXEWKEPL-SFHVURJKSA-N 1 1 334.464 0.261 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001077679125 781492079 /nfs/dbraw/zinc/49/20/79/781492079.db2.gz HXHGSQVMJZCGNO-BMGDILEWSA-N 1 1 342.443 0.561 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001077698808 781539272 /nfs/dbraw/zinc/53/92/72/781539272.db2.gz ACCZRYQUQFHVQO-TUVASFSCSA-N 1 1 337.445 0.438 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001077698808 781539276 /nfs/dbraw/zinc/53/92/76/781539276.db2.gz ACCZRYQUQFHVQO-TUVASFSCSA-N 1 1 337.445 0.438 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cnc4sccn4c3=O)C2)C1 ZINC001041449982 781541744 /nfs/dbraw/zinc/54/17/44/781541744.db2.gz BRIRUPZQIQZPMB-KRWDZBQOSA-N 1 1 342.424 0.927 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNc2nccnc2C#N)C1 ZINC001041482539 781605439 /nfs/dbraw/zinc/60/54/39/781605439.db2.gz NWGWEXHPCKEJSW-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO N#CCN1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041490134 781619614 /nfs/dbraw/zinc/61/96/14/781619614.db2.gz YEDSKGYAVCWEJI-AUCMRZJMSA-N 1 1 330.432 0.298 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC001041504479 781650473 /nfs/dbraw/zinc/65/04/73/781650473.db2.gz ZLBDAOUEAFAHLA-BMFAXAFESA-N 1 1 332.444 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cncc(-n4ccnn4)c3)C2)C1 ZINC001041504831 781651097 /nfs/dbraw/zinc/65/10/97/781651097.db2.gz COHYTLAGZCEYLN-SFHVURJKSA-N 1 1 336.399 0.834 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNc3ncccc3C#N)C2)C1 ZINC001041505013 781652157 /nfs/dbraw/zinc/65/21/57/781652157.db2.gz IFJISROKAVOSHN-HOTGVXAUSA-N 1 1 343.431 0.934 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCCS3(=O)=O)C2)C1 ZINC001041510169 781666878 /nfs/dbraw/zinc/66/68/78/781666878.db2.gz VDHABJVQBUGLME-RDJZCZTQSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C2)C1 ZINC001041528277 781706280 /nfs/dbraw/zinc/70/62/80/781706280.db2.gz RKTYNZBDOMMLAE-SFHVURJKSA-N 1 1 328.416 0.568 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)NC)C3)C2)cc1 ZINC001041533024 781715075 /nfs/dbraw/zinc/71/50/75/781715075.db2.gz XLXJIWJACRVJRY-LJQANCHMSA-N 1 1 325.412 0.952 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2O)nn1 ZINC001077801189 781721698 /nfs/dbraw/zinc/72/16/98/781721698.db2.gz GXDZGQMCZRRZLA-GDBMZVCRSA-N 1 1 345.447 0.819 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001041545382 781740808 /nfs/dbraw/zinc/74/08/08/781740808.db2.gz VKTAECZDRXSDID-UGSOOPFHSA-N 1 1 333.432 0.928 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001077827962 781769747 /nfs/dbraw/zinc/76/97/47/781769747.db2.gz PYFGUEXDWMSQLQ-ZYHUDNBSSA-N 1 1 348.432 0.669 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(c2nccnc2C#N)CCCO1 ZINC001039907733 783255996 /nfs/dbraw/zinc/25/59/96/783255996.db2.gz IFYSIEATYSYFMR-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001039987039 783358854 /nfs/dbraw/zinc/35/88/54/783358854.db2.gz KXJRJHLWVKKWPJ-QGZVFWFLSA-N 1 1 325.453 0.764 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001040047340 783436306 /nfs/dbraw/zinc/43/63/06/783436306.db2.gz LCRGQUUABWYXNE-QGZVFWFLSA-N 1 1 325.453 0.763 20 30 ECEDMO C#CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)C[N@H+](C)C(C)C)C2)CCC1 ZINC001040060742 783466783 /nfs/dbraw/zinc/46/67/83/783466783.db2.gz YFPUECYCXGHMOG-IBGZPJMESA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070172220 783590401 /nfs/dbraw/zinc/59/04/01/783590401.db2.gz SVPGFVGBRLRBLZ-MJBXVCDLSA-N 1 1 339.827 0.799 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCOCC1 ZINC001070232017 783706141 /nfs/dbraw/zinc/70/61/41/783706141.db2.gz AINQURFGFNLGDV-KBPBESRZSA-N 1 1 336.436 0.412 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1(CNC(=O)C[N@@H+](C)C2CCC2)CCOCC1 ZINC001070234416 783713440 /nfs/dbraw/zinc/71/34/40/783713440.db2.gz VDOJQIZZAQYHKP-ZDUSSCGKSA-N 1 1 336.436 0.412 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2nocc2C)C[C@@H]1n1ccnn1 ZINC001070307089 783812069 /nfs/dbraw/zinc/81/20/69/783812069.db2.gz PZWUGQZOHFUUIW-NEPJUHHUSA-N 1 1 336.783 0.982 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@@H]1n1ccnn1 ZINC001070312331 783818491 /nfs/dbraw/zinc/81/84/91/783818491.db2.gz MGSPBRMULBQZFF-ZBFHGGJFSA-N 1 1 341.419 0.580 20 30 ECEDMO CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001070354425 783873897 /nfs/dbraw/zinc/87/38/97/783873897.db2.gz IYVNQAYFFCLIPX-STQMWFEESA-N 1 1 343.391 0.416 20 30 ECEDMO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]c(C#N)c2)n[nH]1 ZINC001070354425 783873904 /nfs/dbraw/zinc/87/39/04/783873904.db2.gz IYVNQAYFFCLIPX-STQMWFEESA-N 1 1 343.391 0.416 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cn(C)nn2)C1 ZINC001070385298 783927274 /nfs/dbraw/zinc/92/72/74/783927274.db2.gz MGNUHDUMEUDPQK-AWEZNQCLSA-N 1 1 340.387 0.226 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cn(C)nn2)C1 ZINC001070385298 783927281 /nfs/dbraw/zinc/92/72/81/783927281.db2.gz MGNUHDUMEUDPQK-AWEZNQCLSA-N 1 1 340.387 0.226 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001070387195 783933918 /nfs/dbraw/zinc/93/39/18/783933918.db2.gz ATEHDMXWHIPPAJ-KBPBESRZSA-N 1 1 345.403 0.018 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001070403183 783977644 /nfs/dbraw/zinc/97/76/44/783977644.db2.gz MKUNOUVYUTZYKN-UONOGXRCSA-N 1 1 345.447 0.918 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2C)C1 ZINC001070404502 783981737 /nfs/dbraw/zinc/98/17/37/783981737.db2.gz HLZCFEHMSXZTEJ-GDBMZVCRSA-N 1 1 345.447 0.169 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2C)C1 ZINC001070404504 783982541 /nfs/dbraw/zinc/98/25/41/783982541.db2.gz HLZCFEHMSXZTEJ-HOCLYGCPSA-N 1 1 345.447 0.169 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccnn2CC)C1 ZINC001070406460 783986827 /nfs/dbraw/zinc/98/68/27/783986827.db2.gz VHAMOFOAHJQAMP-CYBMUJFWSA-N 1 1 326.404 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001070412589 784004531 /nfs/dbraw/zinc/00/45/31/784004531.db2.gz FKTJHNWGRWWXMT-GFCCVEGCSA-N 1 1 340.387 0.351 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nnn(C)n2)C1 ZINC001070420211 784028878 /nfs/dbraw/zinc/02/88/78/784028878.db2.gz SRIVHWIADOYIHF-NSHDSACASA-N 1 1 330.396 0.229 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001070422765 784035108 /nfs/dbraw/zinc/03/51/08/784035108.db2.gz IAIQZPAXHSIUCE-NSHDSACASA-N 1 1 328.376 0.201 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001070424821 784039970 /nfs/dbraw/zinc/03/99/70/784039970.db2.gz UVYQWJOFFKRGRB-BNOWGMLFSA-N 1 1 331.420 0.513 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001070426256 784042418 /nfs/dbraw/zinc/04/24/18/784042418.db2.gz QWEODLPDTYFWOK-AEGPPILISA-N 1 1 343.431 0.173 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(CC)nn2)C1 ZINC001070430942 784051042 /nfs/dbraw/zinc/05/10/42/784051042.db2.gz HXWKMXRGQJFURM-LBPRGKRZSA-N 1 1 329.408 0.926 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001070432314 784056178 /nfs/dbraw/zinc/05/61/78/784056178.db2.gz BPWLMPZHYYEXQS-CYBMUJFWSA-N 1 1 339.399 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001070432314 784056185 /nfs/dbraw/zinc/05/61/85/784056185.db2.gz BPWLMPZHYYEXQS-CYBMUJFWSA-N 1 1 339.399 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001070433693 784060444 /nfs/dbraw/zinc/06/04/44/784060444.db2.gz BCWFLZNGHFTAQH-HOCLYGCPSA-N 1 1 345.447 0.169 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001070435952 784066448 /nfs/dbraw/zinc/06/64/48/784066448.db2.gz WXHMIEAEMNPRBJ-OCCSQVGLSA-N 1 1 346.435 0.544 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001038255343 784068842 /nfs/dbraw/zinc/06/88/42/784068842.db2.gz NKJAJTFDRKOYHW-KBPBESRZSA-N 1 1 331.420 0.919 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC2CC2)C1 ZINC001070902082 784080889 /nfs/dbraw/zinc/08/08/89/784080889.db2.gz TWKJCISLLLAWCU-OAGGEKHMSA-N 1 1 331.416 0.916 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC2CC2)C1 ZINC001070902082 784080894 /nfs/dbraw/zinc/08/08/94/784080894.db2.gz TWKJCISLLLAWCU-OAGGEKHMSA-N 1 1 331.416 0.916 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cnccn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441637 784082957 /nfs/dbraw/zinc/08/29/57/784082957.db2.gz ZRFKAYCSYVZRHW-CYBMUJFWSA-N 1 1 339.403 0.631 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001070921224 784117414 /nfs/dbraw/zinc/11/74/14/784117414.db2.gz ROXDGBNZVIHEPY-YUTCNCBUSA-N 1 1 347.375 0.365 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](C)COC)C1 ZINC001070921542 784119354 /nfs/dbraw/zinc/11/93/54/784119354.db2.gz CKWHKLUURMUGDK-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](C)COC)C1 ZINC001070921542 784119358 /nfs/dbraw/zinc/11/93/58/784119358.db2.gz CKWHKLUURMUGDK-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC001070947200 784193995 /nfs/dbraw/zinc/19/39/95/784193995.db2.gz MGYYZZUQFXNOMW-LSDHHAIUSA-N 1 1 336.436 0.223 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 ZINC001070956088 784220471 /nfs/dbraw/zinc/22/04/71/784220471.db2.gz HIOBZIRUUFGVGM-GOSISDBHSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnn2CC)CC1 ZINC001070957525 784225759 /nfs/dbraw/zinc/22/57/59/784225759.db2.gz JFZVBYRUKHZNNH-UHFFFAOYSA-N 1 1 333.436 0.743 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnn2CC)CC1 ZINC001070957525 784225772 /nfs/dbraw/zinc/22/57/72/784225772.db2.gz JFZVBYRUKHZNNH-UHFFFAOYSA-N 1 1 333.436 0.743 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C)nn2)CC1 ZINC001070963456 784243222 /nfs/dbraw/zinc/24/32/22/784243222.db2.gz RRZCSRCCVYILED-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C)nn2)CC1 ZINC001070963456 784243228 /nfs/dbraw/zinc/24/32/28/784243228.db2.gz RRZCSRCCVYILED-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001070963468 784243670 /nfs/dbraw/zinc/24/36/70/784243670.db2.gz SFCGXLBWHGSAJU-INIZCTEOSA-N 1 1 334.464 0.143 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001070963500 784245128 /nfs/dbraw/zinc/24/51/28/784245128.db2.gz USDAMCFXLVRYAO-MRXNPFEDSA-N 1 1 336.480 0.696 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964415 784247920 /nfs/dbraw/zinc/24/79/20/784247920.db2.gz HLIIGPZMLZPBRU-HZPDHXFCSA-N 1 1 334.464 0.000 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001070969396 784263955 /nfs/dbraw/zinc/26/39/55/784263955.db2.gz OWHZDGCIDVUGCE-KRWDZBQOSA-N 1 1 348.491 0.248 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2[nH]c(=O)[nH]c2C)CC1 ZINC001070971662 784274824 /nfs/dbraw/zinc/27/48/24/784274824.db2.gz LNIJBWBRQKLQAB-UHFFFAOYSA-N 1 1 335.408 0.264 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2[nH]c(=O)[nH]c2C)CC1 ZINC001070971662 784274833 /nfs/dbraw/zinc/27/48/33/784274833.db2.gz LNIJBWBRQKLQAB-UHFFFAOYSA-N 1 1 335.408 0.264 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001070971762 784276273 /nfs/dbraw/zinc/27/62/73/784276273.db2.gz QABHGEYNMJHJGK-HOCLYGCPSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001070971762 784276277 /nfs/dbraw/zinc/27/62/77/784276277.db2.gz QABHGEYNMJHJGK-HOCLYGCPSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001070973162 784282845 /nfs/dbraw/zinc/28/28/45/784282845.db2.gz DUMZCQODIXYHSZ-CYBMUJFWSA-N 1 1 327.375 0.706 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001070973162 784282848 /nfs/dbraw/zinc/28/28/48/784282848.db2.gz DUMZCQODIXYHSZ-CYBMUJFWSA-N 1 1 327.375 0.706 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccncc2)CC1 ZINC001070976454 784291445 /nfs/dbraw/zinc/29/14/45/784291445.db2.gz CSCDUSOLZASXCM-UHFFFAOYSA-N 1 1 342.443 0.688 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccncc2)CC1 ZINC001070976454 784291449 /nfs/dbraw/zinc/29/14/49/784291449.db2.gz CSCDUSOLZASXCM-UHFFFAOYSA-N 1 1 342.443 0.688 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccccn2)CC1 ZINC001070985016 784323868 /nfs/dbraw/zinc/32/38/68/784323868.db2.gz DPANRKBZRJYLSB-UHFFFAOYSA-N 1 1 342.443 0.688 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccccn2)CC1 ZINC001070985016 784323872 /nfs/dbraw/zinc/32/38/72/784323872.db2.gz DPANRKBZRJYLSB-UHFFFAOYSA-N 1 1 342.443 0.688 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001070992494 784346470 /nfs/dbraw/zinc/34/64/70/784346470.db2.gz KZPDILIISPJDRQ-IRXDYDNUSA-N 1 1 348.491 0.391 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001071000165 784369837 /nfs/dbraw/zinc/36/98/37/784369837.db2.gz QPNMROONUFYPOR-INIZCTEOSA-N 1 1 336.480 0.555 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001071000342 784373082 /nfs/dbraw/zinc/37/30/82/784373082.db2.gz YMTMZXRZPHKECV-UHFFFAOYSA-N 1 1 348.491 0.392 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnnc2)CC1 ZINC001071002900 784378603 /nfs/dbraw/zinc/37/86/03/784378603.db2.gz JFJFKQAYXDERHU-UHFFFAOYSA-N 1 1 331.420 0.707 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnnc2)CC1 ZINC001071002900 784378610 /nfs/dbraw/zinc/37/86/10/784378610.db2.gz JFJFKQAYXDERHU-UHFFFAOYSA-N 1 1 331.420 0.707 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@]23C[C@H]2COC3)n1 ZINC001070596367 784406167 /nfs/dbraw/zinc/40/61/67/784406167.db2.gz BKFDIABBUNDBMR-XSWJXKHESA-N 1 1 344.415 0.581 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCCN2C)n1 ZINC001070596013 784406217 /nfs/dbraw/zinc/40/62/17/784406217.db2.gz UOUPCKUWXLFOOD-JYJNAYRXSA-N 1 1 345.447 0.638 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn(C)nn2)n1 ZINC001070596419 784406486 /nfs/dbraw/zinc/40/64/86/784406486.db2.gz FROLFYVXMQOBKH-STQMWFEESA-N 1 1 345.407 0.539 20 30 ECEDMO C=C(C)CCN1CCNC(=O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001071015414 784420911 /nfs/dbraw/zinc/42/09/11/784420911.db2.gz CQUAETBELXXDJU-UHFFFAOYSA-N 1 1 348.491 0.699 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@]23C[C@H]2COC3)n1 ZINC001070604211 784422731 /nfs/dbraw/zinc/42/27/31/784422731.db2.gz BKFDIABBUNDBMR-AFIMGQEJSA-N 1 1 344.415 0.581 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2OCC[C@H]2C)n1 ZINC001070605689 784426813 /nfs/dbraw/zinc/42/68/13/784426813.db2.gz XCQKHTOLEBIBFB-DLTWYDFYSA-N 1 1 346.431 0.969 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2ccccc2=O)CC1 ZINC001071020455 784438546 /nfs/dbraw/zinc/43/85/46/784438546.db2.gz DHZICZNITDIRSR-UHFFFAOYSA-N 1 1 346.431 0.075 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[C@@H]2OC)CC1 ZINC001071022944 784448190 /nfs/dbraw/zinc/44/81/90/784448190.db2.gz JNVZJHYCZOVPNJ-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[C@@H]2OC)CC1 ZINC001071022944 784448193 /nfs/dbraw/zinc/44/81/93/784448193.db2.gz JNVZJHYCZOVPNJ-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C[C@@H]2CCCO2)CC1 ZINC001071023196 784449404 /nfs/dbraw/zinc/44/94/04/784449404.db2.gz TZVZOGXPWQBHSZ-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C[C@@H]2CCCO2)CC1 ZINC001071023196 784449408 /nfs/dbraw/zinc/44/94/08/784449408.db2.gz TZVZOGXPWQBHSZ-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1c1cncn1C ZINC001070654479 784503966 /nfs/dbraw/zinc/50/39/66/784503966.db2.gz SBJZLBSDKOQEEA-HUUCEWRRSA-N 1 1 326.404 0.293 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc(C)cn1)C[C@@H](C)O2 ZINC001071138896 784585030 /nfs/dbraw/zinc/58/50/30/784585030.db2.gz MCUBVXKYNSFRQC-AEFFLSMTSA-N 1 1 330.432 0.907 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)C1 ZINC001071148740 784604589 /nfs/dbraw/zinc/60/45/89/784604589.db2.gz ZPGNONMNZABRRX-SJORKVTESA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)C1 ZINC001071148740 784604597 /nfs/dbraw/zinc/60/45/97/784604597.db2.gz ZPGNONMNZABRRX-SJORKVTESA-N 1 1 347.459 0.616 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C)c1C)C[C@H](C)O2 ZINC001071149472 784606232 /nfs/dbraw/zinc/60/62/32/784606232.db2.gz MURRQTFRSZNMML-GUYCJALGSA-N 1 1 331.420 0.452 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nnc[nH]1)C[C@@H](C)O2 ZINC001071151409 784611213 /nfs/dbraw/zinc/61/12/13/784611213.db2.gz HSYKVWOZMCNTGP-RHSMWYFYSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001070730811 784618083 /nfs/dbraw/zinc/61/80/83/784618083.db2.gz UBUOMEICYFNKOK-BZUAXINKSA-N 1 1 335.448 0.474 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071156608 784620628 /nfs/dbraw/zinc/62/06/28/784620628.db2.gz JYTKEBYIVHHYHH-DYVFJYSZSA-N 1 1 332.404 0.574 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCOCC1)C[C@H](C)O2 ZINC001071156552 784620953 /nfs/dbraw/zinc/62/09/53/784620953.db2.gz JMJPEJOBAGKCMK-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001070736086 784635941 /nfs/dbraw/zinc/63/59/41/784635941.db2.gz NZPYNHAGQJQCGD-HZSPNIEDSA-N 1 1 348.426 0.481 20 30 ECEDMO C#CCCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070736086 784635947 /nfs/dbraw/zinc/63/59/47/784635947.db2.gz NZPYNHAGQJQCGD-HZSPNIEDSA-N 1 1 348.426 0.481 20 30 ECEDMO C#CCCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070736086 784635954 /nfs/dbraw/zinc/63/59/54/784635954.db2.gz NZPYNHAGQJQCGD-HZSPNIEDSA-N 1 1 348.426 0.481 20 30 ECEDMO C#CCCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070736086 784635958 /nfs/dbraw/zinc/63/59/58/784635958.db2.gz NZPYNHAGQJQCGD-HZSPNIEDSA-N 1 1 348.426 0.481 20 30 ECEDMO C#CCCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001070736086 784635965 /nfs/dbraw/zinc/63/59/65/784635965.db2.gz NZPYNHAGQJQCGD-HZSPNIEDSA-N 1 1 348.426 0.481 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@H](C)O2 ZINC001071166857 784642239 /nfs/dbraw/zinc/64/22/39/784642239.db2.gz PACJBAYBKRULEV-GUYCJALGSA-N 1 1 331.420 0.371 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3[nH]cnc3c1)C[C@H](C)O2 ZINC001071171518 784653538 /nfs/dbraw/zinc/65/35/38/784653538.db2.gz ODUYSAWSQLPQLL-SCLBCKFNSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1C)C[C@@H](C)O2 ZINC001071173638 784658319 /nfs/dbraw/zinc/65/83/19/784658319.db2.gz LEINFSBVMIOPEN-RDTXWAMCSA-N 1 1 330.432 0.596 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1C)C[C@H](C)O2 ZINC001071173635 784658879 /nfs/dbraw/zinc/65/88/79/784658879.db2.gz LEINFSBVMIOPEN-KBXCAEBGSA-N 1 1 330.432 0.596 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3c(n1)COCC3)C[C@H](C)O2 ZINC001071180212 784677169 /nfs/dbraw/zinc/67/71/69/784677169.db2.gz IMNBRSOVONVKBL-KBXCAEBGSA-N 1 1 346.431 0.905 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnn1CCOC)C[C@@H](C)O2 ZINC001071181656 784680405 /nfs/dbraw/zinc/68/04/05/784680405.db2.gz ZFWXQKAFJQKXJJ-CRAIPNDOSA-N 1 1 346.431 0.468 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(CN(C)C)on1)C[C@H](C)O2 ZINC001071183266 784682522 /nfs/dbraw/zinc/68/25/22/784682522.db2.gz LSVGVLHRHARACM-KSSFIOAISA-N 1 1 346.431 0.675 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(CN(C)C)on1)C[C@H](C)O2 ZINC001071183266 784682527 /nfs/dbraw/zinc/68/25/27/784682527.db2.gz LSVGVLHRHARACM-KSSFIOAISA-N 1 1 346.431 0.675 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(C(N)=O)c1)C[C@H](C)O2 ZINC001071183045 784682971 /nfs/dbraw/zinc/68/29/71/784682971.db2.gz INHTVLORIMRCTB-IFXJQAMLSA-N 1 1 341.411 0.724 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@H](C)O2 ZINC001071183493 784683738 /nfs/dbraw/zinc/68/37/38/784683738.db2.gz OZEZXISEKJJAAY-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1C(=O)CCC1=O)C[C@H](C)O2 ZINC001071186745 784691612 /nfs/dbraw/zinc/69/16/12/784691612.db2.gz XMQLMANZULMPGV-KSSFIOAISA-N 1 1 349.431 0.403 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@@H](C)O2 ZINC001071189488 784693671 /nfs/dbraw/zinc/69/36/71/784693671.db2.gz LUJNMAFXWACRTF-DYVFJYSZSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@@H](C)O2 ZINC001071189488 784693678 /nfs/dbraw/zinc/69/36/78/784693678.db2.gz LUJNMAFXWACRTF-DYVFJYSZSA-N 1 1 332.404 0.367 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cc(C)nn1C)C[C@@H](C)O2 ZINC001071189775 784695458 /nfs/dbraw/zinc/69/54/58/784695458.db2.gz PGTIFKZNXJSMBZ-APWZRJJASA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@@H](C)O2 ZINC001071198949 784718327 /nfs/dbraw/zinc/71/83/27/784718327.db2.gz HQCCGVUIZOLCEA-CXAGYDPISA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@@H](C)O2 ZINC001071198949 784718330 /nfs/dbraw/zinc/71/83/30/784718330.db2.gz HQCCGVUIZOLCEA-CXAGYDPISA-N 1 1 332.404 0.367 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CC(=O)NC)C3)C2)C1 ZINC001071212428 784749577 /nfs/dbraw/zinc/74/95/77/784749577.db2.gz XJZBWZNDKVMYEV-KDOFPFPSSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](C)O[C@]3(CC[N@H+](CC(=O)NC)C3)C2)C1 ZINC001071212428 784749581 /nfs/dbraw/zinc/74/95/81/784749581.db2.gz XJZBWZNDKVMYEV-KDOFPFPSSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)C[C@@H](C)O2 ZINC001071216335 784755797 /nfs/dbraw/zinc/75/57/97/784755797.db2.gz PCYSDZRAVBOSFB-CJNGLKHVSA-N 1 1 336.823 0.862 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@H](C)O2 ZINC001071225592 784782847 /nfs/dbraw/zinc/78/28/47/784782847.db2.gz MRLHPJRBIXPSTG-SJCJKPOMSA-N 1 1 332.404 0.605 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(COC)n1)C[C@H](C)O2 ZINC001071226314 784784527 /nfs/dbraw/zinc/78/45/27/784784527.db2.gz YDKMRWHHNRDLSF-SUMWQHHRSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(COC)n1)C[C@H](C)O2 ZINC001071226314 784784535 /nfs/dbraw/zinc/78/45/35/784784535.db2.gz YDKMRWHHNRDLSF-SUMWQHHRSA-N 1 1 333.388 0.760 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CCO)C3)C2)cn1 ZINC001071230898 784793311 /nfs/dbraw/zinc/79/33/11/784793311.db2.gz KYLPUAIUFAGGNZ-KDOFPFPSSA-N 1 1 329.400 0.361 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@H](C)O2 ZINC001071231398 784794530 /nfs/dbraw/zinc/79/45/30/784794530.db2.gz QAELHOCPHYOESC-KBXCAEBGSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cncn1C)C[C@@H](C)O2 ZINC001071235475 784802020 /nfs/dbraw/zinc/80/20/20/784802020.db2.gz FECXOJLNRQAFDS-QAPCUYQASA-N 1 1 330.432 0.678 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@H](C)O2 ZINC001071236069 784802664 /nfs/dbraw/zinc/80/26/64/784802664.db2.gz ONOCGDHUZXTKFW-KBXCAEBGSA-N 1 1 341.415 0.991 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)C(=O)C1 ZINC001071263647 784880128 /nfs/dbraw/zinc/88/01/28/784880128.db2.gz ARWWLDDMNUIAGX-DOTOQJQBSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)C(=O)C1 ZINC001071263647 784880131 /nfs/dbraw/zinc/88/01/31/784880131.db2.gz ARWWLDDMNUIAGX-DOTOQJQBSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)C(=O)C1 ZINC001071274233 784911818 /nfs/dbraw/zinc/91/18/18/784911818.db2.gz SZJNMWRCPJVZQV-INIZCTEOSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)C(=O)C1 ZINC001071274233 784911825 /nfs/dbraw/zinc/91/18/25/784911825.db2.gz SZJNMWRCPJVZQV-INIZCTEOSA-N 1 1 345.447 0.664 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071413600 785062319 /nfs/dbraw/zinc/06/23/19/785062319.db2.gz JVEMDFMTAGNLKW-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CC(=O)N1CCC1 ZINC001071413600 785062325 /nfs/dbraw/zinc/06/23/25/785062325.db2.gz JVEMDFMTAGNLKW-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1Cc1ccccc1C#N ZINC001071513612 785229585 /nfs/dbraw/zinc/22/95/85/785229585.db2.gz GMWSBDLVLJTDFZ-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1ccccc1C#N ZINC001071513612 785229589 /nfs/dbraw/zinc/22/95/89/785229589.db2.gz GMWSBDLVLJTDFZ-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001068764055 791097194 /nfs/dbraw/zinc/09/71/94/791097194.db2.gz ICEWRGVWJZMRTD-HUUCEWRRSA-N 1 1 333.432 0.370 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1COC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001068764705 791100898 /nfs/dbraw/zinc/10/08/98/791100898.db2.gz WKNFBGXSRBBZQG-AWEZNQCLSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@H]1C ZINC001071623365 785407928 /nfs/dbraw/zinc/40/79/28/785407928.db2.gz VUOSAUSBMWTDHM-PWSUYJOCSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@H]1C ZINC001071623365 785407934 /nfs/dbraw/zinc/40/79/34/785407934.db2.gz VUOSAUSBMWTDHM-PWSUYJOCSA-N 1 1 325.390 0.143 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC[C@H]1C ZINC001071631568 785420293 /nfs/dbraw/zinc/42/02/93/785420293.db2.gz OIRKZSKMWQGSTP-KGLIPLIRSA-N 1 1 342.403 0.926 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC[C@@H]1C ZINC001071989538 785486334 /nfs/dbraw/zinc/48/63/34/785486334.db2.gz QFFDZZPVYNZKDW-WDEREUQCSA-N 1 1 334.376 0.502 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@@H]1C ZINC001071701203 785554781 /nfs/dbraw/zinc/55/47/81/785554781.db2.gz FDCVVAXKGKCKRI-KBPBESRZSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)CC[C@H]1C ZINC001072072744 785622036 /nfs/dbraw/zinc/62/20/36/785622036.db2.gz OQHPAHBPRHUBCW-KGLIPLIRSA-N 1 1 326.404 0.659 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001072099973 785667689 /nfs/dbraw/zinc/66/76/89/785667689.db2.gz AIPLLOVMTGPSSN-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001072389829 786121747 /nfs/dbraw/zinc/12/17/47/786121747.db2.gz ILWKTPOKFIRUHK-CVEARBPZSA-N 1 1 335.448 0.331 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001073544879 786535587 /nfs/dbraw/zinc/53/55/87/786535587.db2.gz ILZZEGXASQZYFV-HUUCEWRRSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001073544879 786535592 /nfs/dbraw/zinc/53/55/92/786535592.db2.gz ILZZEGXASQZYFV-HUUCEWRRSA-N 1 1 347.419 0.017 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 ZINC001074268209 786550826 /nfs/dbraw/zinc/55/08/26/786550826.db2.gz GMMGVAZHQXKBAP-JKSUJKDBSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 ZINC001074268209 786550830 /nfs/dbraw/zinc/55/08/30/786550830.db2.gz GMMGVAZHQXKBAP-JKSUJKDBSA-N 1 1 346.431 0.662 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 ZINC001074273545 786563045 /nfs/dbraw/zinc/56/30/45/786563045.db2.gz LAQYVOMDSXUHSF-HZPDHXFCSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 ZINC001074273545 786563049 /nfs/dbraw/zinc/56/30/49/786563049.db2.gz LAQYVOMDSXUHSF-HZPDHXFCSA-N 1 1 331.416 0.877 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)CCCO2)c[nH]1 ZINC001073575138 786654913 /nfs/dbraw/zinc/65/49/13/786654913.db2.gz BHXIYLAMBAPXPG-MRXNPFEDSA-N 1 1 342.403 0.604 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001073581892 786680118 /nfs/dbraw/zinc/68/01/18/786680118.db2.gz VDGVGLOHCDZAQZ-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCCCC(=O)N1CC(N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001073584894 786691534 /nfs/dbraw/zinc/69/15/34/786691534.db2.gz NQXDHSWXVIVYCL-UHFFFAOYSA-N 1 1 348.491 0.487 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001073597276 786733381 /nfs/dbraw/zinc/73/33/81/786733381.db2.gz UVOHZQANOXAWLW-AWEZNQCLSA-N 1 1 349.479 0.231 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCN(C2CN(C(=O)C#CC3CC3)C2)CC1 ZINC001073601741 786748643 /nfs/dbraw/zinc/74/86/43/786748643.db2.gz KAOXRHKUKUDHTC-UHFFFAOYSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3ccnn32)C1 ZINC001073631713 786821120 /nfs/dbraw/zinc/82/11/20/786821120.db2.gz SSKDTPDFQZXUJZ-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001073632247 786822031 /nfs/dbraw/zinc/82/20/31/786822031.db2.gz ZELJUXXFEZIYBT-AWEZNQCLSA-N 1 1 334.420 0.981 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001073639515 786843336 /nfs/dbraw/zinc/84/33/36/786843336.db2.gz HQKIADRXABWETB-AWEZNQCLSA-N 1 1 345.399 0.697 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001073645292 786859143 /nfs/dbraw/zinc/85/91/43/786859143.db2.gz JKKRORZIQFLXPY-CQSZACIVSA-N 1 1 334.420 0.810 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001073654193 786880881 /nfs/dbraw/zinc/88/08/81/786880881.db2.gz BQDRZNKYWNEKEF-HNNXBMFYSA-N 1 1 327.388 0.802 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001073662963 786908185 /nfs/dbraw/zinc/90/81/85/786908185.db2.gz RWTLDMJRQBVKQL-ZDUSSCGKSA-N 1 1 348.403 0.338 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001073662963 786908195 /nfs/dbraw/zinc/90/81/95/786908195.db2.gz RWTLDMJRQBVKQL-ZDUSSCGKSA-N 1 1 348.403 0.338 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001073664865 786912454 /nfs/dbraw/zinc/91/24/54/786912454.db2.gz QRCBUFHZTGTJPD-WBVHZDCISA-N 1 1 330.432 0.676 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001073664801 786913194 /nfs/dbraw/zinc/91/31/94/786913194.db2.gz PONWKGMILMZERS-JKSUJKDBSA-N 1 1 325.453 0.490 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001073667547 786917692 /nfs/dbraw/zinc/91/76/92/786917692.db2.gz IWRYIDBDKYANSX-OAHLLOKOSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001073667547 786917699 /nfs/dbraw/zinc/91/76/99/786917699.db2.gz IWRYIDBDKYANSX-OAHLLOKOSA-N 1 1 327.388 0.492 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC001073677728 786948465 /nfs/dbraw/zinc/94/84/65/786948465.db2.gz QJODGQMDKIVDQB-CQSZACIVSA-N 1 1 332.404 0.510 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC001073677728 786948469 /nfs/dbraw/zinc/94/84/69/786948469.db2.gz QJODGQMDKIVDQB-CQSZACIVSA-N 1 1 332.404 0.510 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001073677771 786949095 /nfs/dbraw/zinc/94/90/95/786949095.db2.gz ROTFIUXKRXNAEA-AWEZNQCLSA-N 1 1 345.399 0.697 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001073678862 786952053 /nfs/dbraw/zinc/95/20/53/786952053.db2.gz FHDKMDOJRCXURO-OAHLLOKOSA-N 1 1 347.415 0.943 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001073694187 786983437 /nfs/dbraw/zinc/98/34/37/786983437.db2.gz XCWTZFFQNJRENA-CQSZACIVSA-N 1 1 330.392 0.521 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001073698298 786995938 /nfs/dbraw/zinc/99/59/38/786995938.db2.gz YYSHRXQDIUTKNO-HNNXBMFYSA-N 1 1 342.399 0.797 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001073698298 786995949 /nfs/dbraw/zinc/99/59/49/786995949.db2.gz YYSHRXQDIUTKNO-HNNXBMFYSA-N 1 1 342.399 0.797 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001073703793 787009328 /nfs/dbraw/zinc/00/93/28/787009328.db2.gz YBIQTFCILXSABS-CYBMUJFWSA-N 1 1 345.399 0.410 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001073703793 787009335 /nfs/dbraw/zinc/00/93/35/787009335.db2.gz YBIQTFCILXSABS-CYBMUJFWSA-N 1 1 345.399 0.410 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001073712543 787025309 /nfs/dbraw/zinc/02/53/09/787025309.db2.gz FGVKZEFHBCQPHL-HUUCEWRRSA-N 1 1 348.447 0.931 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CCCC)C1 ZINC001073713032 787028435 /nfs/dbraw/zinc/02/84/35/787028435.db2.gz RJUXBBVZWKKUFI-SJORKVTESA-N 1 1 339.480 0.880 20 30 ECEDMO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073740014 787090666 /nfs/dbraw/zinc/09/06/66/787090666.db2.gz AVSMTYGWBZITPJ-HOTGVXAUSA-N 1 1 325.453 0.489 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073740014 787090677 /nfs/dbraw/zinc/09/06/77/787090677.db2.gz AVSMTYGWBZITPJ-HOTGVXAUSA-N 1 1 325.453 0.489 20 30 ECEDMO C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073740010 787091192 /nfs/dbraw/zinc/09/11/92/787091192.db2.gz AVSMTYGWBZITPJ-CVEARBPZSA-N 1 1 325.453 0.489 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073740010 787091198 /nfs/dbraw/zinc/09/11/98/787091198.db2.gz AVSMTYGWBZITPJ-CVEARBPZSA-N 1 1 325.453 0.489 20 30 ECEDMO C=CCOCC(=O)N1CCC(O)(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001074516787 787148136 /nfs/dbraw/zinc/14/81/36/787148136.db2.gz KSQATKTZRMLUJX-UHFFFAOYSA-N 1 1 341.452 0.001 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001074519804 787159429 /nfs/dbraw/zinc/15/94/29/787159429.db2.gz KZMRRKYQHALILQ-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001073779044 787189371 /nfs/dbraw/zinc/18/93/71/787189371.db2.gz OYVSXQCCAUYHIH-GJZGRUSLSA-N 1 1 348.451 0.409 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073796102 787218602 /nfs/dbraw/zinc/21/86/02/787218602.db2.gz KCOHHKWNZAFFLE-LSDHHAIUSA-N 1 1 342.461 0.042 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073796102 787218607 /nfs/dbraw/zinc/21/86/07/787218607.db2.gz KCOHHKWNZAFFLE-LSDHHAIUSA-N 1 1 342.461 0.042 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001073798731 787223992 /nfs/dbraw/zinc/22/39/92/787223992.db2.gz PBPQQNTWAPYXBA-INIZCTEOSA-N 1 1 345.443 0.958 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001073798731 787223995 /nfs/dbraw/zinc/22/39/95/787223995.db2.gz PBPQQNTWAPYXBA-INIZCTEOSA-N 1 1 345.443 0.958 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001073804361 787233442 /nfs/dbraw/zinc/23/34/42/787233442.db2.gz JYSQTVVWHGSACN-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001073804361 787233452 /nfs/dbraw/zinc/23/34/52/787233452.db2.gz JYSQTVVWHGSACN-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001073815951 787251561 /nfs/dbraw/zinc/25/15/61/787251561.db2.gz QEXPXFGRPQJCHJ-BRWVUGGUSA-N 1 1 348.447 0.681 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001073816253 787251686 /nfs/dbraw/zinc/25/16/86/787251686.db2.gz YNWZQRIHNBGNIW-AWEZNQCLSA-N 1 1 343.387 0.279 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001074565657 787272024 /nfs/dbraw/zinc/27/20/24/787272024.db2.gz PQMFCIDBEZVPIU-UHFFFAOYSA-N 1 1 346.431 0.465 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001073836524 787314254 /nfs/dbraw/zinc/31/42/54/787314254.db2.gz DJGZPXMOWHDFPP-LSDHHAIUSA-N 1 1 349.435 0.321 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001074581017 787315938 /nfs/dbraw/zinc/31/59/38/787315938.db2.gz GWYPFHJVWVLTSR-INIZCTEOSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nc3ccccn3c2F)C1 ZINC001073840576 787326401 /nfs/dbraw/zinc/32/64/01/787326401.db2.gz VTSICRXRZVZERH-ZDUSSCGKSA-N 1 1 330.363 0.927 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nc3ccccn3c2F)C1 ZINC001073840576 787326415 /nfs/dbraw/zinc/32/64/15/787326415.db2.gz VTSICRXRZVZERH-ZDUSSCGKSA-N 1 1 330.363 0.927 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001074593387 787348290 /nfs/dbraw/zinc/34/82/90/787348290.db2.gz QXKRONCBHBPFFL-AWEZNQCLSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3ccc(C)nc23)C1 ZINC001073862700 787391206 /nfs/dbraw/zinc/39/12/06/787391206.db2.gz WTZBENNSRALKKE-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)cn1 ZINC001073866137 787401378 /nfs/dbraw/zinc/40/13/78/787401378.db2.gz STEHZXQPGKPGDD-MAUKXSAKSA-N 1 1 343.427 0.920 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001073872548 787412092 /nfs/dbraw/zinc/41/20/92/787412092.db2.gz SUIWXOGXBAAUNP-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001073872548 787412095 /nfs/dbraw/zinc/41/20/95/787412095.db2.gz SUIWXOGXBAAUNP-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001073876664 787420253 /nfs/dbraw/zinc/42/02/53/787420253.db2.gz JAQYGHOPOTXZJP-AWEZNQCLSA-N 1 1 342.403 0.195 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001073876664 787420256 /nfs/dbraw/zinc/42/02/56/787420256.db2.gz JAQYGHOPOTXZJP-AWEZNQCLSA-N 1 1 342.403 0.195 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c(C)nn3cccnc23)C1 ZINC001073889696 787445055 /nfs/dbraw/zinc/44/50/55/787445055.db2.gz XYTSOEVLDOTJMJ-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)nn3cccnc23)C1 ZINC001073889696 787445062 /nfs/dbraw/zinc/44/50/62/787445062.db2.gz XYTSOEVLDOTJMJ-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001073893034 787456621 /nfs/dbraw/zinc/45/66/21/787456621.db2.gz ICJNITXDHAPCQV-HNNXBMFYSA-N 1 1 330.388 0.025 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001073896112 787464941 /nfs/dbraw/zinc/46/49/41/787464941.db2.gz KZXZQUVCGHEAFV-HOCLYGCPSA-N 1 1 330.432 0.745 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001073896719 787467602 /nfs/dbraw/zinc/46/76/02/787467602.db2.gz ZBGMDYACJZWUQP-ZDUSSCGKSA-N 1 1 332.404 0.577 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001073908535 787496688 /nfs/dbraw/zinc/49/66/88/787496688.db2.gz NSNTTXISHDFLPA-DAWZGUTISA-N 1 1 349.475 0.912 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001074661241 787532874 /nfs/dbraw/zinc/53/28/74/787532874.db2.gz OPNPZFDATKWLKS-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001073940504 787554240 /nfs/dbraw/zinc/55/42/40/787554240.db2.gz GLBTXGQIZZDIRN-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001074016709 787685666 /nfs/dbraw/zinc/68/56/66/787685666.db2.gz ITALJOLTQWYETD-HUUCEWRRSA-N 1 1 325.453 0.882 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001074728739 787710961 /nfs/dbraw/zinc/71/09/61/787710961.db2.gz XODRKILORJGCRQ-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001074063147 787795246 /nfs/dbraw/zinc/79/52/46/787795246.db2.gz MMZCCNFNSFXHKF-GDBMZVCRSA-N 1 1 346.431 0.585 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CCN2CCCC2=O)C3)[nH]1 ZINC001072634553 788474687 /nfs/dbraw/zinc/47/46/87/788474687.db2.gz BWDUPAUWEAGLLP-UHFFFAOYSA-N 1 1 341.415 0.657 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1)C1CC1 ZINC001072639835 788485014 /nfs/dbraw/zinc/48/50/14/788485014.db2.gz QTRKXWGDFSXJTO-UHFFFAOYSA-N 1 1 341.415 0.655 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)C1=O ZINC001072644843 788493786 /nfs/dbraw/zinc/49/37/86/788493786.db2.gz QINKIQMNEQROGG-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ncc[nH]4)C3)C2)C1=O ZINC001072710823 788634154 /nfs/dbraw/zinc/63/41/54/788634154.db2.gz SNRMYTFUXHQQBW-CYBMUJFWSA-N 1 1 329.404 0.345 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001075032044 788757409 /nfs/dbraw/zinc/75/74/09/788757409.db2.gz OBZHQIIEJNBMDE-HZPDHXFCSA-N 1 1 337.464 0.862 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C2)C1 ZINC001072853095 788965649 /nfs/dbraw/zinc/96/56/49/788965649.db2.gz ZPYWVQICMQKFBA-UHFFFAOYSA-N 1 1 336.457 0.369 20 30 ECEDMO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075253565 789123092 /nfs/dbraw/zinc/12/30/92/789123092.db2.gz CQSAUGMXBLNBRI-AAEUAGOBSA-N 1 1 342.407 0.298 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(=O)N(C)C)C3)c1 ZINC001072968509 789180737 /nfs/dbraw/zinc/18/07/37/789180737.db2.gz OVMYKZBJBODLBY-AWEZNQCLSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCCNC2=O)C3)c1 ZINC001072968675 789180804 /nfs/dbraw/zinc/18/08/04/789180804.db2.gz XFHMSRJDJDHPRX-INIZCTEOSA-N 1 1 338.411 0.489 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001072988677 789232199 /nfs/dbraw/zinc/23/21/99/789232199.db2.gz HBUATDIWUQMENE-SJORKVTESA-N 1 1 337.423 0.694 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCN(CC)C1=O)C2 ZINC001072999767 789255579 /nfs/dbraw/zinc/25/55/79/789255579.db2.gz OYWMBZLWNSNBKG-PMPSAXMXSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001073029443 789306245 /nfs/dbraw/zinc/30/62/45/789306245.db2.gz XMAQNCFDWXLUAL-CQSZACIVSA-N 1 1 346.431 0.727 20 30 ECEDMO C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001075395360 789321640 /nfs/dbraw/zinc/32/16/40/789321640.db2.gz OYGAGYCGXSLBFX-DOTOQJQBSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001075395360 789321650 /nfs/dbraw/zinc/32/16/50/789321650.db2.gz OYGAGYCGXSLBFX-DOTOQJQBSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001075406720 789331859 /nfs/dbraw/zinc/33/18/59/789331859.db2.gz PMEYIAKUOGJWSM-AEFFLSMTSA-N 1 1 330.432 0.961 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)c3nnn(C)n3)CC2)CC1 ZINC001075456994 789380076 /nfs/dbraw/zinc/38/00/76/789380076.db2.gz GVFSWMDDWWGUTA-AWEZNQCLSA-N 1 1 330.436 0.798 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C4CCOCC4)[C@@H]3C2)C1=O ZINC001075480014 789398655 /nfs/dbraw/zinc/39/86/55/789398655.db2.gz OTKFQQABFGYLHA-YESZJQIVSA-N 1 1 347.459 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C)on4)[C@@H]3C2)C1=O ZINC001075525941 789454802 /nfs/dbraw/zinc/45/48/02/789454802.db2.gz XJWHHKYYUWGKGV-NUEKZKHPSA-N 1 1 344.415 0.916 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC001073123242 789479956 /nfs/dbraw/zinc/47/99/56/789479956.db2.gz OVKHJGCABJLAAA-UHFFFAOYSA-N 1 1 334.420 0.381 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(=O)NC)C3)nc1 ZINC001073137781 789511188 /nfs/dbraw/zinc/51/11/88/789511188.db2.gz KNYQAPOCMLCXMA-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001073396624 789789166 /nfs/dbraw/zinc/78/91/66/789789166.db2.gz RQYOTEQATMEROD-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)COc3ccc(C(N)=O)cc3)C2)C1 ZINC001073441506 789844379 /nfs/dbraw/zinc/84/43/79/789844379.db2.gz MKXCADXDEVUGBO-UHFFFAOYSA-N 1 1 327.384 0.332 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)c3cn(CC(=O)N(C)C)nn3)C2)C1 ZINC001073459185 789866456 /nfs/dbraw/zinc/86/64/56/789866456.db2.gz QPCZUQOMYYHNTI-UHFFFAOYSA-N 1 1 346.435 0.090 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC(Nc3cnc(C#N)cn3)C2)C1 ZINC001069746496 790004511 /nfs/dbraw/zinc/00/45/11/790004511.db2.gz WXLUMNMHMHHCQD-PESDSKBTSA-N 1 1 344.419 0.470 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC(Nc3cnc(C#N)cn3)C2)C1 ZINC001069746496 790004513 /nfs/dbraw/zinc/00/45/13/790004513.db2.gz WXLUMNMHMHHCQD-PESDSKBTSA-N 1 1 344.419 0.470 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2=CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001069815393 790049193 /nfs/dbraw/zinc/04/91/93/790049193.db2.gz IFQGIDIXWRSCNN-QGZVFWFLSA-N 1 1 341.415 0.537 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001069815393 790049196 /nfs/dbraw/zinc/04/91/96/790049196.db2.gz IFQGIDIXWRSCNN-QGZVFWFLSA-N 1 1 341.415 0.537 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)c2C1 ZINC001069860884 790113639 /nfs/dbraw/zinc/11/36/39/790113639.db2.gz MPCOPBUTNSEZRX-HOCLYGCPSA-N 1 1 342.447 0.713 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3CCC[N@@H+]3CCC)c2C1 ZINC001069862284 790115727 /nfs/dbraw/zinc/11/57/27/790115727.db2.gz ISRMEPBERKZRPP-MRXNPFEDSA-N 1 1 329.448 0.823 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N3C)c2C1 ZINC001069870883 790132221 /nfs/dbraw/zinc/13/22/21/790132221.db2.gz YRNJAEFZFJPPQR-OAHLLOKOSA-N 1 1 345.447 0.902 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N3C)c2C1 ZINC001069870883 790132225 /nfs/dbraw/zinc/13/22/25/790132225.db2.gz YRNJAEFZFJPPQR-OAHLLOKOSA-N 1 1 345.447 0.902 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C)nn2C)[C@@H](n2ccnn2)C1 ZINC001069900845 790169147 /nfs/dbraw/zinc/16/91/47/790169147.db2.gz YAFOGBLHRQEMAK-HIFRSBDPSA-N 1 1 329.408 0.551 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2C)[C@@H](n2ccnn2)C1 ZINC001069900845 790169151 /nfs/dbraw/zinc/16/91/51/790169151.db2.gz YAFOGBLHRQEMAK-HIFRSBDPSA-N 1 1 329.408 0.551 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001069904050 790173197 /nfs/dbraw/zinc/17/31/97/790173197.db2.gz FLKIHVPVGDRUKZ-CABCVRRESA-N 1 1 329.408 0.726 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001069904050 790173200 /nfs/dbraw/zinc/17/32/00/790173200.db2.gz FLKIHVPVGDRUKZ-CABCVRRESA-N 1 1 329.408 0.726 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccncc2F)[C@@H](n2ccnn2)C1 ZINC001069905932 790174661 /nfs/dbraw/zinc/17/46/61/790174661.db2.gz XDFXIGUYMMUNCN-CABCVRRESA-N 1 1 328.351 0.491 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccncc2F)[C@@H](n2ccnn2)C1 ZINC001069905932 790174664 /nfs/dbraw/zinc/17/46/64/790174664.db2.gz XDFXIGUYMMUNCN-CABCVRRESA-N 1 1 328.351 0.491 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2nnn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069905703 790174947 /nfs/dbraw/zinc/17/49/47/790174947.db2.gz LMVVZYBFAIBBGL-KGLIPLIRSA-N 1 1 344.423 0.337 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001069910763 790179579 /nfs/dbraw/zinc/17/95/79/790179579.db2.gz IZLFXQNDUFZYKM-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)n2cncn2)[C@@H](n2ccnn2)C1 ZINC001069911953 790180767 /nfs/dbraw/zinc/18/07/67/790180767.db2.gz FWIXMSDLTFZJKA-MJBXVCDLSA-N 1 1 330.396 0.048 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2cncn2)[C@@H](n2ccnn2)C1 ZINC001069911953 790180770 /nfs/dbraw/zinc/18/07/70/790180770.db2.gz FWIXMSDLTFZJKA-MJBXVCDLSA-N 1 1 330.396 0.048 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924724 790195580 /nfs/dbraw/zinc/19/55/80/790195580.db2.gz BRWJGAUCOZUVCK-PMPSAXMXSA-N 1 1 332.452 0.678 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929771 790202092 /nfs/dbraw/zinc/20/20/92/790202092.db2.gz QFJKPJKKKCMBBL-LZWOXQAQSA-N 1 1 343.435 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929771 790202096 /nfs/dbraw/zinc/20/20/96/790202096.db2.gz QFJKPJKKKCMBBL-LZWOXQAQSA-N 1 1 343.435 0.733 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@@H](n2ccnn2)C1 ZINC001069937657 790211599 /nfs/dbraw/zinc/21/15/99/790211599.db2.gz GIVDBYXOEJLSIG-OLZOCXBDSA-N 1 1 349.345 0.548 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@@H](n2ccnn2)C1 ZINC001069937657 790211602 /nfs/dbraw/zinc/21/16/02/790211602.db2.gz GIVDBYXOEJLSIG-OLZOCXBDSA-N 1 1 349.345 0.548 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942211 790218292 /nfs/dbraw/zinc/21/82/92/790218292.db2.gz RPCBIWAKQGAWCR-IKGGRYGDSA-N 1 1 344.463 0.517 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069944915 790222356 /nfs/dbraw/zinc/22/23/56/790222356.db2.gz AEMKEXTUWQRQJV-ILXRZTDVSA-N 1 1 339.403 0.027 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001069954602 790236158 /nfs/dbraw/zinc/23/61/58/790236158.db2.gz LMUMDXMGERDUFD-OLZOCXBDSA-N 1 1 329.364 0.005 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001068853517 791268145 /nfs/dbraw/zinc/26/81/45/791268145.db2.gz OCQAWQYQSMASCK-JKSUJKDBSA-N 1 1 347.459 0.616 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](Nc2cncc(C#N)n2)[C@H]1C ZINC001068862102 791290498 /nfs/dbraw/zinc/29/04/98/791290498.db2.gz SVLJLSFODONKJL-RISCZKNCSA-N 1 1 325.376 0.955 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)C[C@H](NC(=O)C#CC(C)(C)C)CO3)C1 ZINC001068862279 791291392 /nfs/dbraw/zinc/29/13/92/791291392.db2.gz AZVBQOFNVQMUTR-CABCVRRESA-N 1 1 347.459 0.474 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068899272 791368035 /nfs/dbraw/zinc/36/80/35/791368035.db2.gz LDCJWVBLSNDUGL-HNNXBMFYSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(C(=O)CCC=C)C2)C1 ZINC001068910398 791398385 /nfs/dbraw/zinc/39/83/85/791398385.db2.gz JNVPUOLQSWOKIA-HOTGVXAUSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(C(=O)CCC=C)C2)C1 ZINC001068910398 791398389 /nfs/dbraw/zinc/39/83/89/791398389.db2.gz JNVPUOLQSWOKIA-HOTGVXAUSA-N 1 1 345.443 0.536 20 30 ECEDMO Cc1cc(N2C[C@H](O)[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nc(C)[nH+]1 ZINC001067661077 791962196 /nfs/dbraw/zinc/96/21/96/791962196.db2.gz PMFPCOBYNKHQQT-HIFRSBDPSA-N 1 1 340.387 0.520 20 30 ECEDMO Cc1cc(N2CCN([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)nc(C)[nH+]1 ZINC001066697774 792014619 /nfs/dbraw/zinc/01/46/19/792014619.db2.gz CMNXYTVFNRBMIJ-CJNGLKHVSA-N 1 1 342.447 0.976 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1ccc(C#N)nn1 ZINC001067741938 792210367 /nfs/dbraw/zinc/21/03/67/792210367.db2.gz DHNGTUDHAVNMAE-LSDHHAIUSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)CSCC#N)C1 ZINC001066872943 792244885 /nfs/dbraw/zinc/24/48/85/792244885.db2.gz BTBWXLDIOWODMP-CQSZACIVSA-N 1 1 340.493 0.892 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(C#N)nn1 ZINC001067762772 792246518 /nfs/dbraw/zinc/24/65/18/792246518.db2.gz HSALTQBIDVVNFZ-ZFWWWQNUSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cc[nH]n1 ZINC001066895454 792308717 /nfs/dbraw/zinc/30/87/17/792308717.db2.gz AAMIGRKWUCDHSH-HNNXBMFYSA-N 1 1 331.420 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cc[nH]n1 ZINC001066895454 792308727 /nfs/dbraw/zinc/30/87/27/792308727.db2.gz AAMIGRKWUCDHSH-HNNXBMFYSA-N 1 1 331.420 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ccn[nH]1 ZINC001066895454 792308750 /nfs/dbraw/zinc/30/87/50/792308750.db2.gz AAMIGRKWUCDHSH-HNNXBMFYSA-N 1 1 331.420 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ccn[nH]1 ZINC001066895454 792308760 /nfs/dbraw/zinc/30/87/60/792308760.db2.gz AAMIGRKWUCDHSH-HNNXBMFYSA-N 1 1 331.420 0.428 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(CNc3cnc(C#N)cn3)C2)C1 ZINC001067888747 792426969 /nfs/dbraw/zinc/42/69/69/792426969.db2.gz ABNJMFYCALMPAJ-IYXRBSQSSA-N 1 1 328.420 0.997 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC1(C)C ZINC001068098598 792668236 /nfs/dbraw/zinc/66/82/36/792668236.db2.gz DVAZFKRAMRASLC-STQMWFEESA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)CC2(C)C)C1 ZINC001068102478 792674992 /nfs/dbraw/zinc/67/49/92/792674992.db2.gz QKHMVWIYOVKRBF-QWHCGFSZSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)CC2(C)C)C1 ZINC001068102478 792674999 /nfs/dbraw/zinc/67/49/99/792674999.db2.gz QKHMVWIYOVKRBF-QWHCGFSZSA-N 1 1 344.419 0.010 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cc(F)ncn3)C[C@H]21 ZINC001068208252 792829492 /nfs/dbraw/zinc/82/94/92/792829492.db2.gz HOHZQRLAOXEIMZ-XQLPTFJDSA-N 1 1 343.406 0.512 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cc(F)ncn3)C[C@H]21 ZINC001068208252 792829501 /nfs/dbraw/zinc/82/95/01/792829501.db2.gz HOHZQRLAOXEIMZ-XQLPTFJDSA-N 1 1 343.406 0.512 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)C[N@H+](C)CCC ZINC001067292158 792944919 /nfs/dbraw/zinc/94/49/19/792944919.db2.gz DJJAIKJFJBIUMA-KRWDZBQOSA-N 1 1 327.469 0.962 20 30 ECEDMO CC(C)C#CC(=O)N(C)CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001067357458 793034164 /nfs/dbraw/zinc/03/41/64/793034164.db2.gz PNNRGSQIUGFSIE-UHFFFAOYSA-N 1 1 337.464 0.675 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001068348566 793097843 /nfs/dbraw/zinc/09/78/43/793097843.db2.gz UDUKLHLISBXMHN-UHFFFAOYSA-N 1 1 332.404 0.598 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001067425507 793137665 /nfs/dbraw/zinc/13/76/65/793137665.db2.gz RLJVXBVCUJCBMB-MRXNPFEDSA-N 1 1 337.464 0.675 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001068388482 793179114 /nfs/dbraw/zinc/17/91/14/793179114.db2.gz DZWMKORXHOCHSN-UHFFFAOYSA-N 1 1 335.448 0.572 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001068393957 793198501 /nfs/dbraw/zinc/19/85/01/793198501.db2.gz GIFDWEXFWUMXLT-HNNXBMFYSA-N 1 1 333.432 0.180 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068394641 793200234 /nfs/dbraw/zinc/20/02/34/793200234.db2.gz AWMVZZUTLYBRHK-HZPDHXFCSA-N 1 1 347.459 0.426 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC001068399122 793216558 /nfs/dbraw/zinc/21/65/58/793216558.db2.gz QZSKYDMVDCLKEQ-UHFFFAOYSA-N 1 1 346.431 0.988 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)C[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001068416332 793270521 /nfs/dbraw/zinc/27/05/21/793270521.db2.gz LSLFFRDPUREGJL-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068420184 793276695 /nfs/dbraw/zinc/27/66/95/793276695.db2.gz HADFWXQXEWUFHO-UHFFFAOYSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCCCC(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001068449925 793330480 /nfs/dbraw/zinc/33/04/80/793330480.db2.gz DPNICTRIVAFMBI-UHFFFAOYSA-N 1 1 346.431 0.988 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)COC2CCCC2)C1 ZINC001267507718 837596626 /nfs/dbraw/zinc/59/66/26/837596626.db2.gz FJPDBFXNOHCBCT-AWEZNQCLSA-N 1 1 336.436 0.414 20 30 ECEDMO NC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)C#CC1CC1)c1ccccc1 ZINC001267520645 837672147 /nfs/dbraw/zinc/67/21/47/837672147.db2.gz OWDAQFFCNSRVOQ-AWEZNQCLSA-N 1 1 328.372 0.042 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2coc(C)n2)C1 ZINC001267524513 837684276 /nfs/dbraw/zinc/68/42/76/837684276.db2.gz UJTJFRDGRMZCNG-TZMCWYRMSA-N 1 1 332.404 0.563 20 30 ECEDMO C=CCCC[N@H+]1CC[C@H](CCNC(=O)CN2CCCS2(=O)=O)C1 ZINC001267536338 837715630 /nfs/dbraw/zinc/71/56/30/837715630.db2.gz QZRPTIARTQVEEE-HNNXBMFYSA-N 1 1 343.493 0.816 20 30 ECEDMO CCCN(C(=O)c1cn[nH]c(=O)c1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267541525 837727676 /nfs/dbraw/zinc/72/76/76/837727676.db2.gz CNRCXYLFPCWPBL-OAHLLOKOSA-N 1 1 332.404 0.759 20 30 ECEDMO CCCN(C(=O)C#CC(C)C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267541430 837728172 /nfs/dbraw/zinc/72/81/72/837728172.db2.gz AQMIFWYWBMJMSF-KBPBESRZSA-N 1 1 336.436 0.542 20 30 ECEDMO CCCN(C(=O)C#CC(C)C)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267541430 837728178 /nfs/dbraw/zinc/72/81/78/837728178.db2.gz AQMIFWYWBMJMSF-KBPBESRZSA-N 1 1 336.436 0.542 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](CCNC(=O)C#CC3CC3)C2)CCO1 ZINC001267555325 837760517 /nfs/dbraw/zinc/76/05/17/837760517.db2.gz FKKKLKHQLBDJPA-NVXWUHKLSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C2(C(F)F)CC2)C1 ZINC001267555908 837762063 /nfs/dbraw/zinc/76/20/63/837762063.db2.gz KHGKCGNKYIWJES-CHWSQXEVSA-N 1 1 341.402 0.998 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267558720 837767206 /nfs/dbraw/zinc/76/72/06/837767206.db2.gz FZBZMLJAKQMJMB-BZUAXINKSA-N 1 1 336.480 0.457 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)c2occ3c2CCC3)C1 ZINC001267561926 837772571 /nfs/dbraw/zinc/77/25/71/837772571.db2.gz RXVZEDRNCZXCET-CYBMUJFWSA-N 1 1 344.415 0.850 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2cnoc2)C1 ZINC001267562800 837775581 /nfs/dbraw/zinc/77/55/81/837775581.db2.gz MPDGJDLQHRQGKM-UONOGXRCSA-N 1 1 332.404 0.183 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](CCNC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001267566713 837785073 /nfs/dbraw/zinc/78/50/73/837785073.db2.gz HTFHIEOKFKRBKX-CQSZACIVSA-N 1 1 334.424 0.193 20 30 ECEDMO C=C1CC(C)(C(=O)NCC[C@H]2CC[N@H+]([C@H](C)C(=O)NC(N)=O)C2)C1 ZINC001267570313 837800553 /nfs/dbraw/zinc/80/05/53/837800553.db2.gz MKMSOUOROJTFKI-OLZOCXBDSA-N 1 1 336.436 0.754 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C(F)F)C1 ZINC001267577354 837832159 /nfs/dbraw/zinc/83/21/59/837832159.db2.gz MLJAQKWMSSNEGH-SNVBAGLBSA-N 1 1 332.351 0.044 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)Cn2ncc3ccccc32)CC1 ZINC001267576533 837832501 /nfs/dbraw/zinc/83/25/01/837832501.db2.gz ZLXCAXMHJODIEF-UHFFFAOYSA-N 1 1 339.443 0.746 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)Cn2ncc3ccccc32)CC1 ZINC001267576533 837832512 /nfs/dbraw/zinc/83/25/12/837832512.db2.gz ZLXCAXMHJODIEF-UHFFFAOYSA-N 1 1 339.443 0.746 20 30 ECEDMO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC#CCOC)C1)N1CCCC1=O ZINC001266252081 835557036 /nfs/dbraw/zinc/55/70/36/835557036.db2.gz MFYYVXREGZJHHQ-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC#CCOC)C1)N1CCCC1=O ZINC001266252081 835557044 /nfs/dbraw/zinc/55/70/44/835557044.db2.gz MFYYVXREGZJHHQ-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC001266270806 835591853 /nfs/dbraw/zinc/59/18/53/835591853.db2.gz AZECJDMTIDZUPD-UHFFFAOYSA-N 1 1 326.351 0.608 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)c2nccn3ccnc23)CC1 ZINC001266273386 835595468 /nfs/dbraw/zinc/59/54/68/835595468.db2.gz KEEXIAIBJGFISN-UHFFFAOYSA-N 1 1 328.420 0.653 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2cccc3c2OCC3)CC1 ZINC001266292803 835637623 /nfs/dbraw/zinc/63/76/23/835637623.db2.gz VQQPISPNRSAWGT-UHFFFAOYSA-N 1 1 327.428 0.992 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cnc(C)nc2C(C)C)CC1 ZINC001266294800 835641500 /nfs/dbraw/zinc/64/15/00/835641500.db2.gz LWLABHQKHFTARE-UHFFFAOYSA-N 1 1 329.448 0.889 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1ccc(OC)c(F)c1 ZINC001266295613 835642508 /nfs/dbraw/zinc/64/25/08/835642508.db2.gz RRJVIBFIZFYQEF-CYBMUJFWSA-N 1 1 349.406 0.563 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc(OC)c(F)c1 ZINC001266295613 835642512 /nfs/dbraw/zinc/64/25/12/835642512.db2.gz RRJVIBFIZFYQEF-CYBMUJFWSA-N 1 1 349.406 0.563 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ncc2ccccn21 ZINC001266298021 835651641 /nfs/dbraw/zinc/65/16/41/835651641.db2.gz XRKILDYBQUZXPY-CYBMUJFWSA-N 1 1 327.388 0.134 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ncc2ccccn21 ZINC001266298021 835651647 /nfs/dbraw/zinc/65/16/47/835651647.db2.gz XRKILDYBQUZXPY-CYBMUJFWSA-N 1 1 327.388 0.134 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)C3(C(N)=O)CC3)C2)ccc1F ZINC001266338803 835723470 /nfs/dbraw/zinc/72/34/70/835723470.db2.gz DCNLQKDSAHTPDS-ZDUSSCGKSA-N 1 1 330.363 0.653 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C3(C(N)=O)CC3)C2)ccc1F ZINC001266338803 835723478 /nfs/dbraw/zinc/72/34/78/835723478.db2.gz DCNLQKDSAHTPDS-ZDUSSCGKSA-N 1 1 330.363 0.653 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccnc(C)c1 ZINC001266340057 835725908 /nfs/dbraw/zinc/72/59/08/835725908.db2.gz HWCJZQAJRFZUTA-UHFFFAOYSA-N 1 1 333.392 0.063 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccnc(C)c1 ZINC001266340057 835725912 /nfs/dbraw/zinc/72/59/12/835725912.db2.gz HWCJZQAJRFZUTA-UHFFFAOYSA-N 1 1 333.392 0.063 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cnn(CC(C)C)c2)C1=O ZINC001266342749 835729823 /nfs/dbraw/zinc/72/98/23/835729823.db2.gz VOSRYNUHVKTPSW-INIZCTEOSA-N 1 1 347.463 0.988 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cnn(CC(C)C)c2)C1=O ZINC001266342749 835729830 /nfs/dbraw/zinc/72/98/30/835729830.db2.gz VOSRYNUHVKTPSW-INIZCTEOSA-N 1 1 347.463 0.988 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnn(CCC)c1C ZINC001266342960 835730339 /nfs/dbraw/zinc/73/03/39/835730339.db2.gz ZNRADNXIZOKBEM-AWEZNQCLSA-N 1 1 333.436 0.401 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnn(CCC)c1C ZINC001266342960 835730341 /nfs/dbraw/zinc/73/03/41/835730341.db2.gz ZNRADNXIZOKBEM-AWEZNQCLSA-N 1 1 333.436 0.401 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1ccccc1C(=O)N(C)C ZINC001266350949 835747965 /nfs/dbraw/zinc/74/79/65/835747965.db2.gz WOOOZURHYAEYKF-UHFFFAOYSA-N 1 1 331.416 0.700 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc2c[nH]nc2c1 ZINC001266354624 835757621 /nfs/dbraw/zinc/75/76/21/835757621.db2.gz HHUPKKGAOAEADY-ZDUSSCGKSA-N 1 1 343.431 0.844 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1ccc2c[nH]nc2c1 ZINC001266354624 835757631 /nfs/dbraw/zinc/75/76/31/835757631.db2.gz HHUPKKGAOAEADY-ZDUSSCGKSA-N 1 1 343.431 0.844 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCOC2)CC1 ZINC001266368110 835780380 /nfs/dbraw/zinc/78/03/80/835780380.db2.gz DCJBNHXFLIVMKB-GJZGRUSLSA-N 1 1 348.447 0.414 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CC12CC[NH+](Cc1nccn1C)CC2 ZINC001266370618 835783143 /nfs/dbraw/zinc/78/31/43/835783143.db2.gz HWCBICNKUKPXAV-HNNXBMFYSA-N 1 1 330.432 0.931 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1OCCc2ccccc21 ZINC001266408190 835814124 /nfs/dbraw/zinc/81/41/24/835814124.db2.gz CHYLNNXQCYICHM-GOSISDBHSA-N 1 1 343.427 0.488 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1OCCc2ccccc21 ZINC001266408190 835814132 /nfs/dbraw/zinc/81/41/32/835814132.db2.gz CHYLNNXQCYICHM-GOSISDBHSA-N 1 1 343.427 0.488 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCc2cccnc21 ZINC001266411365 835816270 /nfs/dbraw/zinc/81/62/70/835816270.db2.gz SAYRHDMGOMWFJY-ZBFHGGJFSA-N 1 1 342.443 0.687 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCc2cccnc21 ZINC001266411365 835816279 /nfs/dbraw/zinc/81/62/79/835816279.db2.gz SAYRHDMGOMWFJY-ZBFHGGJFSA-N 1 1 342.443 0.687 20 30 ECEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001266431320 835835990 /nfs/dbraw/zinc/83/59/90/835835990.db2.gz DKGBWCHAAFQGFI-OAHLLOKOSA-N 1 1 331.482 0.863 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC001266434587 835838977 /nfs/dbraw/zinc/83/89/77/835838977.db2.gz GBHYORPZCJMFKG-INIZCTEOSA-N 1 1 345.443 0.893 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC(=O)NCC ZINC001266450387 835852953 /nfs/dbraw/zinc/85/29/53/835852953.db2.gz NAHKABGHXVAECX-CHWSQXEVSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(=O)NCC ZINC001266450387 835852959 /nfs/dbraw/zinc/85/29/59/835852959.db2.gz NAHKABGHXVAECX-CHWSQXEVSA-N 1 1 340.424 0.004 20 30 ECEDMO COCCCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001266451921 835855158 /nfs/dbraw/zinc/85/51/58/835855158.db2.gz IOFQVGUIDDEOEP-LSDHHAIUSA-N 1 1 338.452 0.469 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)COC(C)C)C1 ZINC001266452221 835855424 /nfs/dbraw/zinc/85/54/24/835855424.db2.gz LJWJKGQHQPHIHV-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001266456161 835858913 /nfs/dbraw/zinc/85/89/13/835858913.db2.gz RFDMBTNTKHVSLG-ZIAGYGMSSA-N 1 1 333.436 0.884 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccn(C)c1 ZINC001266458408 835860346 /nfs/dbraw/zinc/86/03/46/835860346.db2.gz UQJCFTYFBFQSHA-AWEZNQCLSA-N 1 1 347.419 0.231 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(C)c1 ZINC001266458408 835860354 /nfs/dbraw/zinc/86/03/54/835860354.db2.gz UQJCFTYFBFQSHA-AWEZNQCLSA-N 1 1 347.419 0.231 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001266459015 835861860 /nfs/dbraw/zinc/86/18/60/835861860.db2.gz IFIRRCWWDNMFIE-MRXNPFEDSA-N 1 1 342.443 0.917 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NCC=C ZINC001266460682 835863195 /nfs/dbraw/zinc/86/31/95/835863195.db2.gz BDEKWCQGGNSRCT-LSDHHAIUSA-N 1 1 348.447 0.771 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NCC=C ZINC001266460682 835863201 /nfs/dbraw/zinc/86/32/01/835863201.db2.gz BDEKWCQGGNSRCT-LSDHHAIUSA-N 1 1 348.447 0.771 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnnn1C ZINC001266461947 835864366 /nfs/dbraw/zinc/86/43/66/835864366.db2.gz ZSBVJPZQIXJAQH-AWEZNQCLSA-N 1 1 346.435 0.210 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnnn1C ZINC001266461947 835864374 /nfs/dbraw/zinc/86/43/74/835864374.db2.gz ZSBVJPZQIXJAQH-AWEZNQCLSA-N 1 1 346.435 0.210 20 30 ECEDMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001266467695 835868492 /nfs/dbraw/zinc/86/84/92/835868492.db2.gz BBRXIIAXWOXBSW-MRXNPFEDSA-N 1 1 346.406 0.687 20 30 ECEDMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001266467695 835868497 /nfs/dbraw/zinc/86/84/97/835868497.db2.gz BBRXIIAXWOXBSW-MRXNPFEDSA-N 1 1 346.406 0.687 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CCF)c1 ZINC001266471379 835874328 /nfs/dbraw/zinc/87/43/28/835874328.db2.gz NOIBCEGUAYBGFH-ZFWWWQNUSA-N 1 1 349.410 0.185 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cnn(CCF)c1 ZINC001266471379 835874332 /nfs/dbraw/zinc/87/43/32/835874332.db2.gz NOIBCEGUAYBGFH-ZFWWWQNUSA-N 1 1 349.410 0.185 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)C1(n2cnnn2)CCCCC1 ZINC001266474836 835877600 /nfs/dbraw/zinc/87/76/00/835877600.db2.gz XGIXQRNHOAEZEJ-HNNXBMFYSA-N 1 1 330.436 0.936 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1cccnc1 ZINC001266488218 835887835 /nfs/dbraw/zinc/88/78/35/835887835.db2.gz FETMHYFNAYNNAK-HOCLYGCPSA-N 1 1 328.416 0.515 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1cccnc1 ZINC001266488218 835887843 /nfs/dbraw/zinc/88/78/43/835887843.db2.gz FETMHYFNAYNNAK-HOCLYGCPSA-N 1 1 328.416 0.515 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001266492132 835891612 /nfs/dbraw/zinc/89/16/12/835891612.db2.gz IWGBPENADVKOQO-HZPDHXFCSA-N 1 1 342.443 0.679 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001266492132 835891618 /nfs/dbraw/zinc/89/16/18/835891618.db2.gz IWGBPENADVKOQO-HZPDHXFCSA-N 1 1 342.443 0.679 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC001266495639 835895880 /nfs/dbraw/zinc/89/58/80/835895880.db2.gz QGJSECSBCFQXGL-ZDUSSCGKSA-N 1 1 335.429 0.691 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC001266495639 835895887 /nfs/dbraw/zinc/89/58/87/835895887.db2.gz QGJSECSBCFQXGL-ZDUSSCGKSA-N 1 1 335.429 0.691 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2snnc2C)C1 ZINC001266500875 835902104 /nfs/dbraw/zinc/90/21/04/835902104.db2.gz XQQPAWUXVLYDRV-RYUDHWBXSA-N 1 1 337.449 0.589 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](CNC(=O)CSCC#N)C2)nn1 ZINC001266501019 835902188 /nfs/dbraw/zinc/90/21/88/835902188.db2.gz ZZYKWAAKACJTDN-GFCCVEGCSA-N 1 1 335.433 0.680 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2cn(CC3CC3)nn2)C1 ZINC001266514613 835925663 /nfs/dbraw/zinc/92/56/63/835925663.db2.gz SVEYJIQEFJTWEM-HOCLYGCPSA-N 1 1 345.447 0.665 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cn(CC3CC3)nn2)C1 ZINC001266514613 835925669 /nfs/dbraw/zinc/92/56/69/835925669.db2.gz SVEYJIQEFJTWEM-HOCLYGCPSA-N 1 1 345.447 0.665 20 30 ECEDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cc1F ZINC001266520840 835934874 /nfs/dbraw/zinc/93/48/74/835934874.db2.gz USLHOLDIBKYIGF-ZDUSSCGKSA-N 1 1 332.379 0.826 20 30 ECEDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cc1F ZINC001266520840 835934881 /nfs/dbraw/zinc/93/48/81/835934881.db2.gz USLHOLDIBKYIGF-ZDUSSCGKSA-N 1 1 332.379 0.826 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)ccc2OC)C1 ZINC001266523763 835938685 /nfs/dbraw/zinc/93/86/85/835938685.db2.gz UOSJJFJGVWTMII-CYBMUJFWSA-N 1 1 347.390 0.635 20 30 ECEDMO CC#CCCCC(=O)NC[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001266526137 835941159 /nfs/dbraw/zinc/94/11/59/835941159.db2.gz REHYTKPRVYRYPE-SJORKVTESA-N 1 1 349.475 0.601 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001266528055 835943327 /nfs/dbraw/zinc/94/33/27/835943327.db2.gz IPBMGACKXXMVOP-OLZOCXBDSA-N 1 1 342.390 0.890 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001266528055 835943334 /nfs/dbraw/zinc/94/33/34/835943334.db2.gz IPBMGACKXXMVOP-OLZOCXBDSA-N 1 1 342.390 0.890 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2ncccc2F)C1 ZINC001266527842 835943364 /nfs/dbraw/zinc/94/33/64/835943364.db2.gz FKMAOQFESSMVRQ-KBPBESRZSA-N 1 1 348.422 0.892 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001266537089 835955856 /nfs/dbraw/zinc/95/58/56/835955856.db2.gz DXNINNNKLWAEDF-DOTOQJQBSA-N 1 1 347.463 0.829 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)Cn3nccc3C)C2)C1=O ZINC001266537018 835955870 /nfs/dbraw/zinc/95/58/70/835955870.db2.gz CIKXOKWQKALEKM-JKSUJKDBSA-N 1 1 345.447 0.417 20 30 ECEDMO O=C(CCn1cnnn1)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001266539567 835959962 /nfs/dbraw/zinc/95/99/62/835959962.db2.gz DSJBRKTYRBSOHJ-KRWDZBQOSA-N 1 1 338.415 0.553 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc(C(C)C)nn2C)C1 ZINC001266540004 835961084 /nfs/dbraw/zinc/96/10/84/835961084.db2.gz NBTORPBCJJISCY-CQSZACIVSA-N 1 1 347.463 0.897 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)c2ccco2)C1 ZINC001266544880 835966142 /nfs/dbraw/zinc/96/61/42/835966142.db2.gz KKNMXTRHDBUSEY-LSDHHAIUSA-N 1 1 331.416 0.961 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2cnn(CC)c2)C1 ZINC001266544748 835966294 /nfs/dbraw/zinc/96/62/94/835966294.db2.gz IFYVOPCEPAUNLK-GJZGRUSLSA-N 1 1 347.463 0.574 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)c1cc(C)ncn1 ZINC001266559013 835986616 /nfs/dbraw/zinc/98/66/16/835986616.db2.gz XNQKAFBJHWPUKI-AWEZNQCLSA-N 1 1 331.420 0.365 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)C[C@H]1CCOC[C@@H]1OC)C1CC1 ZINC001266594156 836026637 /nfs/dbraw/zinc/02/66/37/836026637.db2.gz HBNLAOVSHYSOID-WBVHZDCISA-N 1 1 338.448 0.658 20 30 ECEDMO C=C(C)C[N@@H+](CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1)C1CC1 ZINC001266604728 836038668 /nfs/dbraw/zinc/03/86/68/836038668.db2.gz OSIVWPKCIIHVNA-UHFFFAOYSA-N 1 1 330.396 0.464 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1ccc(N(C)C)cc1)C1CC1 ZINC001266617796 836053451 /nfs/dbraw/zinc/05/34/51/836053451.db2.gz XMCYCPBBGLKFMV-UHFFFAOYSA-N 1 1 342.443 0.696 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1ccc(N(C)C)cc1)C1CC1 ZINC001266617796 836053463 /nfs/dbraw/zinc/05/34/63/836053463.db2.gz XMCYCPBBGLKFMV-UHFFFAOYSA-N 1 1 342.443 0.696 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(Cl)no1)C1CC1 ZINC001266617845 836053690 /nfs/dbraw/zinc/05/36/90/836053690.db2.gz ZMEKZHNRQWHEOW-UHFFFAOYSA-N 1 1 325.756 0.162 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1cc(Cl)no1)C1CC1 ZINC001266617845 836053698 /nfs/dbraw/zinc/05/36/98/836053698.db2.gz ZMEKZHNRQWHEOW-UHFFFAOYSA-N 1 1 325.756 0.162 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCOCC2)C1 ZINC001266656165 836092180 /nfs/dbraw/zinc/09/21/80/836092180.db2.gz PGTHJUMZYJEOJS-HOTGVXAUSA-N 1 1 348.447 0.366 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCOCC2)C1 ZINC001266656165 836092188 /nfs/dbraw/zinc/09/21/88/836092188.db2.gz PGTHJUMZYJEOJS-HOTGVXAUSA-N 1 1 348.447 0.366 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]nc2C)C1 ZINC001266660594 836098804 /nfs/dbraw/zinc/09/88/04/836098804.db2.gz YQQSMKHGTYPDGJ-ZBFHGGJFSA-N 1 1 343.431 0.394 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccncn2)C1 ZINC001266664289 836101395 /nfs/dbraw/zinc/10/13/95/836101395.db2.gz ZKDSXMLJSZVXFD-ZBFHGGJFSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CSCC#N)C1 ZINC001266739933 836222311 /nfs/dbraw/zinc/22/23/11/836222311.db2.gz HCQAOLIJGXZOGR-ZIAGYGMSSA-N 1 1 336.461 0.209 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccsn2)C1 ZINC001266751158 836243455 /nfs/dbraw/zinc/24/34/55/836243455.db2.gz CIDKXOJYNBETRY-QWHCGFSZSA-N 1 1 334.445 0.723 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001266753055 836245806 /nfs/dbraw/zinc/24/58/06/836245806.db2.gz ZUIWMUSODYEOPX-LSDHHAIUSA-N 1 1 345.447 0.308 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001266753055 836245818 /nfs/dbraw/zinc/24/58/18/836245818.db2.gz ZUIWMUSODYEOPX-LSDHHAIUSA-N 1 1 345.447 0.308 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001266753055 836245831 /nfs/dbraw/zinc/24/58/31/836245831.db2.gz ZUIWMUSODYEOPX-LSDHHAIUSA-N 1 1 345.447 0.308 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2csc(=O)[nH]2)C1 ZINC001279510126 836293803 /nfs/dbraw/zinc/29/38/03/836293803.db2.gz VTRAVLCTGNQMPR-HNNXBMFYSA-N 1 1 339.417 0.055 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@](CO)(NC(=O)c2csc(=O)[nH]2)C1 ZINC001279510126 836293811 /nfs/dbraw/zinc/29/38/11/836293811.db2.gz VTRAVLCTGNQMPR-HNNXBMFYSA-N 1 1 339.417 0.055 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001266790116 836305136 /nfs/dbraw/zinc/30/51/36/836305136.db2.gz CGNUPNHDRSFUFO-CABCVRRESA-N 1 1 345.447 0.308 20 30 ECEDMO COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ccc(C)cc1=O ZINC001266856178 836390715 /nfs/dbraw/zinc/39/07/15/836390715.db2.gz KYQGEZWSALIQKY-KRWDZBQOSA-N 1 1 345.443 0.777 20 30 ECEDMO COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1ccc(C)cc1=O ZINC001266856178 836390728 /nfs/dbraw/zinc/39/07/28/836390728.db2.gz KYQGEZWSALIQKY-KRWDZBQOSA-N 1 1 345.443 0.777 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)c1ccccn1 ZINC001266859699 836397250 /nfs/dbraw/zinc/39/72/50/836397250.db2.gz NSUMIHKTBWHCDQ-OAHLLOKOSA-N 1 1 328.416 0.805 20 30 ECEDMO Cc1c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)cnn1C ZINC001266889254 836438008 /nfs/dbraw/zinc/43/80/08/836438008.db2.gz JCYHRPGPXWFESD-OCCSQVGLSA-N 1 1 346.435 0.199 20 30 ECEDMO Cc1c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)cnn1C ZINC001266889254 836438015 /nfs/dbraw/zinc/43/80/15/836438015.db2.gz JCYHRPGPXWFESD-OCCSQVGLSA-N 1 1 346.435 0.199 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCn2ccnc2)C1 ZINC001266895627 836447013 /nfs/dbraw/zinc/44/70/13/836447013.db2.gz QNKQDZMOLPMYDN-HZPDHXFCSA-N 1 1 345.447 0.239 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)SC ZINC001266900436 836454194 /nfs/dbraw/zinc/45/41/94/836454194.db2.gz DUVASOJXNZWNQX-RGDJUOJXSA-N 1 1 325.478 0.865 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC001266951504 836517570 /nfs/dbraw/zinc/51/75/70/836517570.db2.gz UWZMYGITMVQWJG-STQMWFEESA-N 1 1 337.855 0.765 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC001266954979 836521322 /nfs/dbraw/zinc/52/13/22/836521322.db2.gz XJKBTVVJRRVYRP-QMMMGPOBSA-N 1 1 347.341 0.747 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC001267010006 836608822 /nfs/dbraw/zinc/60/88/22/836608822.db2.gz FLYCPIVMIFOCHQ-CVEARBPZSA-N 1 1 345.447 0.665 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnns2)C1 ZINC001267100594 836771733 /nfs/dbraw/zinc/77/17/33/836771733.db2.gz LMYGNPXTCLPWAZ-VXGBXAGGSA-N 1 1 335.433 0.212 20 30 ECEDMO CCCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001267101028 836772670 /nfs/dbraw/zinc/77/26/70/836772670.db2.gz OUCCFMLSHWYDEU-ZDUSSCGKSA-N 1 1 326.466 0.692 20 30 ECEDMO CCCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001267101028 836772679 /nfs/dbraw/zinc/77/26/79/836772679.db2.gz OUCCFMLSHWYDEU-ZDUSSCGKSA-N 1 1 326.466 0.692 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1)c1ccco1 ZINC001267111619 836798619 /nfs/dbraw/zinc/79/86/19/836798619.db2.gz QYCOHUKTTVLSSL-KGLIPLIRSA-N 1 1 332.404 0.946 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)c1ccco1 ZINC001267111619 836798627 /nfs/dbraw/zinc/79/86/27/836798627.db2.gz QYCOHUKTTVLSSL-KGLIPLIRSA-N 1 1 332.404 0.946 20 30 ECEDMO COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCn2cncn2)C1 ZINC001267113754 836802646 /nfs/dbraw/zinc/80/26/46/836802646.db2.gz RLGZUCITIYZVAY-INIZCTEOSA-N 1 1 333.436 0.631 20 30 ECEDMO Cc1cc(C(=O)NCCC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)n(C)n1 ZINC001267161650 836875586 /nfs/dbraw/zinc/87/55/86/836875586.db2.gz VBZRROUFVJVSHA-CQSZACIVSA-N 1 1 346.435 0.343 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CCOC1 ZINC001267162378 836878547 /nfs/dbraw/zinc/87/85/47/836878547.db2.gz DRUMSMLDXOUNRL-CABCVRRESA-N 1 1 336.436 0.414 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C(=O)NCC(F)F ZINC001267170781 836904638 /nfs/dbraw/zinc/90/46/38/836904638.db2.gz UELAMTRXSCFNSP-ZDUSSCGKSA-N 1 1 345.390 0.378 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)CS(=O)(=O)N(C)C ZINC001267178579 836923709 /nfs/dbraw/zinc/92/37/09/836923709.db2.gz CINZULRKOIJRBU-CQSZACIVSA-N 1 1 331.482 0.815 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001267181966 836932516 /nfs/dbraw/zinc/93/25/16/836932516.db2.gz RGSNUZXVZORWFU-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO C[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)CN1CCOCC1 ZINC001267193171 836955476 /nfs/dbraw/zinc/95/54/76/836955476.db2.gz YTGYPSOBOVQVDA-UHFFFAOYSA-N 1 1 333.407 0.557 20 30 ECEDMO C[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)CN1CCOCC1 ZINC001267193171 836955487 /nfs/dbraw/zinc/95/54/87/836955487.db2.gz YTGYPSOBOVQVDA-UHFFFAOYSA-N 1 1 333.407 0.557 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2C[C@@H](O)COC ZINC001279597725 836966942 /nfs/dbraw/zinc/96/69/42/836966942.db2.gz OFVIHLNSFCBXBY-OWCLPIDISA-N 1 1 326.437 0.652 20 30 ECEDMO COCC(=O)NCCC(=O)NCC[N@H+](C)CC#Cc1ccccc1 ZINC001267198909 836968186 /nfs/dbraw/zinc/96/81/86/836968186.db2.gz DJEHTCLVGALDGM-UHFFFAOYSA-N 1 1 331.416 0.239 20 30 ECEDMO COCC(=O)NCCC(=O)NCC[N@@H+](C)CC#Cc1ccccc1 ZINC001267198909 836968192 /nfs/dbraw/zinc/96/81/92/836968192.db2.gz DJEHTCLVGALDGM-UHFFFAOYSA-N 1 1 331.416 0.239 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@]23CCC[C@H]2OCC3)C1=O ZINC001267206986 836989377 /nfs/dbraw/zinc/98/93/77/836989377.db2.gz XWTOJWHFVKWNLD-DAYGRLMNSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@]23CCC[C@H]2OCC3)C1=O ZINC001267206986 836989380 /nfs/dbraw/zinc/98/93/80/836989380.db2.gz XWTOJWHFVKWNLD-DAYGRLMNSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccc2n[nH]cc21 ZINC001267210977 836999271 /nfs/dbraw/zinc/99/92/71/836999271.db2.gz QRGXOTZQAQVKQA-LBPRGKRZSA-N 1 1 327.388 0.362 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccc2n[nH]cc21 ZINC001267210977 836999274 /nfs/dbraw/zinc/99/92/74/836999274.db2.gz QRGXOTZQAQVKQA-LBPRGKRZSA-N 1 1 327.388 0.362 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001267210934 836999514 /nfs/dbraw/zinc/99/95/14/836999514.db2.gz NPLKCTFJRPPPFW-CAOSSQGBSA-N 1 1 337.464 0.740 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001267210934 836999525 /nfs/dbraw/zinc/99/95/25/836999525.db2.gz NPLKCTFJRPPPFW-CAOSSQGBSA-N 1 1 337.464 0.740 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)C1CCN(CC(F)F)CC1 ZINC001267213821 837002150 /nfs/dbraw/zinc/00/21/50/837002150.db2.gz VRENEFRYKNAKAZ-UHFFFAOYSA-N 1 1 331.407 0.661 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001267225418 837023555 /nfs/dbraw/zinc/02/35/55/837023555.db2.gz VQHOLHOTXGPVQQ-ZDUSSCGKSA-N 1 1 332.404 0.587 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001267225418 837023566 /nfs/dbraw/zinc/02/35/66/837023566.db2.gz VQHOLHOTXGPVQQ-ZDUSSCGKSA-N 1 1 332.404 0.587 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001267230534 837033605 /nfs/dbraw/zinc/03/36/05/837033605.db2.gz RDNMRUNPVJIDKX-GFCCVEGCSA-N 1 1 346.431 0.628 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001267230534 837033611 /nfs/dbraw/zinc/03/36/11/837033611.db2.gz RDNMRUNPVJIDKX-GFCCVEGCSA-N 1 1 346.431 0.628 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)CC#Cc2ccccc2)C1 ZINC001267231268 837034679 /nfs/dbraw/zinc/03/46/79/837034679.db2.gz TXBITHCBEGKPQC-SFHVURJKSA-N 1 1 329.444 0.807 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)CC#Cc2ccccc2)C1 ZINC001267231268 837034691 /nfs/dbraw/zinc/03/46/91/837034691.db2.gz TXBITHCBEGKPQC-SFHVURJKSA-N 1 1 329.444 0.807 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001267245300 837059696 /nfs/dbraw/zinc/05/96/96/837059696.db2.gz ISOVBTBJCBRDEE-UHFFFAOYSA-N 1 1 331.376 0.365 20 30 ECEDMO CC[N@@H+](CCNC(=O)[C@H]1CCNC1=O)Cc1ccc(C#N)c(F)c1 ZINC001267247129 837060414 /nfs/dbraw/zinc/06/04/14/837060414.db2.gz AMZMKWYCVPYCAP-AWEZNQCLSA-N 1 1 332.379 0.772 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ccc2c(c1)C[C@H](C)O2)CC(=O)NCC#N ZINC001267252268 837071297 /nfs/dbraw/zinc/07/12/97/837071297.db2.gz ITYAOAYRQCEHGT-ZDUSSCGKSA-N 1 1 344.415 0.701 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ccc2c(c1)C[C@H](C)O2)CC(=O)NCC#N ZINC001267252268 837071306 /nfs/dbraw/zinc/07/13/06/837071306.db2.gz ITYAOAYRQCEHGT-ZDUSSCGKSA-N 1 1 344.415 0.701 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cncc(F)c1 ZINC001267262958 837095611 /nfs/dbraw/zinc/09/56/11/837095611.db2.gz GWBCCPQYNUBDLT-DOMZBBRYSA-N 1 1 332.379 0.553 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cncc(F)c1 ZINC001267262958 837095615 /nfs/dbraw/zinc/09/56/15/837095615.db2.gz GWBCCPQYNUBDLT-DOMZBBRYSA-N 1 1 332.379 0.553 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001267273332 837113684 /nfs/dbraw/zinc/11/36/84/837113684.db2.gz WUCCKRJNUGXXKR-CYBMUJFWSA-N 1 1 348.447 0.377 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001267273332 837113691 /nfs/dbraw/zinc/11/36/91/837113691.db2.gz WUCCKRJNUGXXKR-CYBMUJFWSA-N 1 1 348.447 0.377 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC001267272317 837113986 /nfs/dbraw/zinc/11/39/86/837113986.db2.gz LWDUWZMOXLXAGE-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC001267281736 837130710 /nfs/dbraw/zinc/13/07/10/837130710.db2.gz KYAWAHSFWDGPPL-LBPRGKRZSA-N 1 1 342.827 0.652 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC001267281736 837130713 /nfs/dbraw/zinc/13/07/13/837130713.db2.gz KYAWAHSFWDGPPL-LBPRGKRZSA-N 1 1 342.827 0.652 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1C[C@@H](C)OC ZINC001267283314 837132316 /nfs/dbraw/zinc/13/23/16/837132316.db2.gz LSEJRLVDBPJTMD-KGLIPLIRSA-N 1 1 340.468 0.866 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001267283572 837133435 /nfs/dbraw/zinc/13/34/35/837133435.db2.gz NULSOGVDVDPMIG-SJLPKXTDSA-N 1 1 337.464 0.768 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001267283572 837133439 /nfs/dbraw/zinc/13/34/39/837133439.db2.gz NULSOGVDVDPMIG-SJLPKXTDSA-N 1 1 337.464 0.768 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001267285880 837137133 /nfs/dbraw/zinc/13/71/33/837137133.db2.gz QABWDRGYPCGWJZ-CHWSQXEVSA-N 1 1 347.419 0.467 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ncccc2C)C1 ZINC001267288639 837138044 /nfs/dbraw/zinc/13/80/44/837138044.db2.gz AEHKLUZURXIHJK-HUUCEWRRSA-N 1 1 328.416 0.580 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267289316 837140465 /nfs/dbraw/zinc/14/04/65/837140465.db2.gz YVCSYGCRZMGILH-STQMWFEESA-N 1 1 337.424 0.028 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267289316 837140471 /nfs/dbraw/zinc/14/04/71/837140471.db2.gz YVCSYGCRZMGILH-STQMWFEESA-N 1 1 337.424 0.028 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001267293222 837146530 /nfs/dbraw/zinc/14/65/30/837146530.db2.gz OHTPLGCNQMOZQI-JKSUJKDBSA-N 1 1 349.475 0.769 20 30 ECEDMO COCCOC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001267292631 837148148 /nfs/dbraw/zinc/14/81/48/837148148.db2.gz DDRWPTTXKADEJF-HZPDHXFCSA-N 1 1 340.464 0.498 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC001267297344 837158310 /nfs/dbraw/zinc/15/83/10/837158310.db2.gz HQHZNYLCAAXNOB-CYBMUJFWSA-N 1 1 341.415 0.650 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC001267297344 837158313 /nfs/dbraw/zinc/15/83/13/837158313.db2.gz HQHZNYLCAAXNOB-CYBMUJFWSA-N 1 1 341.415 0.650 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001267300983 837165277 /nfs/dbraw/zinc/16/52/77/837165277.db2.gz VZFGZZRCCWOYHZ-LBPRGKRZSA-N 1 1 343.387 0.365 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCc2c(C)n[nH]c2C)C1 ZINC001267305200 837174540 /nfs/dbraw/zinc/17/45/40/837174540.db2.gz ILIKUXPWJPURSW-OAHLLOKOSA-N 1 1 347.463 0.699 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001267305396 837174795 /nfs/dbraw/zinc/17/47/95/837174795.db2.gz LCNSIWHBQQVDFD-CHWSQXEVSA-N 1 1 333.436 0.715 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001267307415 837179190 /nfs/dbraw/zinc/17/91/90/837179190.db2.gz SDJMLUMIATVPEF-LSDHHAIUSA-N 1 1 330.432 0.925 20 30 ECEDMO CC(C)C#CC(=O)NCC[N@H+](CC(=O)NCC(F)(F)F)C1CC1 ZINC001267325119 837202112 /nfs/dbraw/zinc/20/21/12/837202112.db2.gz CZILMZRUTCMRKT-UHFFFAOYSA-N 1 1 333.354 0.905 20 30 ECEDMO CC(C)C#CC(=O)NCC[N@@H+](CC(=O)NCC(F)(F)F)C1CC1 ZINC001267325119 837202121 /nfs/dbraw/zinc/20/21/21/837202121.db2.gz CZILMZRUTCMRKT-UHFFFAOYSA-N 1 1 333.354 0.905 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N(CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001267326668 837204765 /nfs/dbraw/zinc/20/47/65/837204765.db2.gz XXWZOXJHSPHDID-NVXWUHKLSA-N 1 1 348.491 0.578 20 30 ECEDMO C[C@@H](CC(=O)NCC[N@H+](CC(=O)NCC#N)C1CC1)C(F)(F)F ZINC001267332080 837213814 /nfs/dbraw/zinc/21/38/14/837213814.db2.gz BKLPJMKCCVZJBY-JTQLQIEISA-N 1 1 334.342 0.795 20 30 ECEDMO C[C@@H](CC(=O)NCC[N@@H+](CC(=O)NCC#N)C1CC1)C(F)(F)F ZINC001267332080 837213819 /nfs/dbraw/zinc/21/38/19/837213819.db2.gz BKLPJMKCCVZJBY-JTQLQIEISA-N 1 1 334.342 0.795 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1ocnc1C1CC1)C1CC1 ZINC001267332741 837213956 /nfs/dbraw/zinc/21/39/56/837213956.db2.gz IPTSIEKQVWVPQZ-LBPRGKRZSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1ocnc1C1CC1)C1CC1 ZINC001267332741 837213970 /nfs/dbraw/zinc/21/39/70/837213970.db2.gz IPTSIEKQVWVPQZ-LBPRGKRZSA-N 1 1 344.415 0.884 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(N)=O)C1CC1 ZINC001267336321 837220395 /nfs/dbraw/zinc/22/03/95/837220395.db2.gz MTKHHPDXFQBXDX-HNNXBMFYSA-N 1 1 336.436 0.150 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccncn2)C1 ZINC001267583801 837852869 /nfs/dbraw/zinc/85/28/69/837852869.db2.gz SGSWDLUGMKBWIX-KBPBESRZSA-N 1 1 331.420 0.609 20 30 ECEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001267586228 837863195 /nfs/dbraw/zinc/86/31/95/837863195.db2.gz MMUHYPCICPSPOS-NSHDSACASA-N 1 1 327.406 0.507 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001267592262 837885590 /nfs/dbraw/zinc/88/55/90/837885590.db2.gz QKVNNNRXSOVUTN-ZIAGYGMSSA-N 1 1 331.420 0.561 20 30 ECEDMO C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1)c1cccnc1 ZINC001267593089 837889182 /nfs/dbraw/zinc/88/91/82/837889182.db2.gz CTNHFMCJGICHLQ-LSDHHAIUSA-N 1 1 343.431 0.605 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(OC)n2)C1 ZINC001267594924 837896094 /nfs/dbraw/zinc/89/60/94/837896094.db2.gz NUBPAEUAVGSCKM-CQSZACIVSA-N 1 1 346.431 0.834 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001267594893 837896467 /nfs/dbraw/zinc/89/64/67/837896467.db2.gz NKAQJPFJEIHHJH-LLVKDONJSA-N 1 1 334.376 0.362 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001267596976 837902215 /nfs/dbraw/zinc/90/22/15/837902215.db2.gz VNCYEBBSUKCUPO-GJZGRUSLSA-N 1 1 345.447 0.053 20 30 ECEDMO C=CCCOCC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCCN(C)C2=O)C1 ZINC001267597094 837902853 /nfs/dbraw/zinc/90/28/53/837902853.db2.gz XXUDJVTYQVAVIB-CVEARBPZSA-N 1 1 337.464 0.980 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)n2cncn2)CC1 ZINC001267598425 837908004 /nfs/dbraw/zinc/90/80/04/837908004.db2.gz DBFMAOOGRFEJQO-OAHLLOKOSA-N 1 1 333.436 0.659 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C[N@@H+](C)Cc2cnn(C)n2)CC1 ZINC001267599260 837910956 /nfs/dbraw/zinc/91/09/56/837910956.db2.gz IVYWHPCMOUSCCF-UHFFFAOYSA-N 1 1 333.436 0.525 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C[N@H+](C)Cc2cnn(C)n2)CC1 ZINC001267599260 837910960 /nfs/dbraw/zinc/91/09/60/837910960.db2.gz IVYWHPCMOUSCCF-UHFFFAOYSA-N 1 1 333.436 0.525 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001267601828 837922534 /nfs/dbraw/zinc/92/25/34/837922534.db2.gz QXPGDEKCCZCJOP-CQSZACIVSA-N 1 1 336.436 0.675 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)CCn3ccnn3)C2)C1=O ZINC001267611714 837976542 /nfs/dbraw/zinc/97/65/42/837976542.db2.gz GSJNLMWMELPKGZ-HUUCEWRRSA-N 1 1 346.435 0.036 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)CCn3ccnn3)C2)C1=O ZINC001267611714 837976546 /nfs/dbraw/zinc/97/65/46/837976546.db2.gz GSJNLMWMELPKGZ-HUUCEWRRSA-N 1 1 346.435 0.036 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnnc2C(C)C)C1 ZINC001267618461 838047738 /nfs/dbraw/zinc/04/77/38/838047738.db2.gz RZXFAFITPOOFQD-CQSZACIVSA-N 1 1 336.440 0.580 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267618080 838048563 /nfs/dbraw/zinc/04/85/63/838048563.db2.gz OWXZCDYXHZRYOC-CQSZACIVSA-N 1 1 331.482 0.815 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001267622178 838063853 /nfs/dbraw/zinc/06/38/53/838063853.db2.gz PFHHBXNCKPKCFL-HZPDHXFCSA-N 1 1 344.459 0.974 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001267622178 838063872 /nfs/dbraw/zinc/06/38/72/838063872.db2.gz PFHHBXNCKPKCFL-HZPDHXFCSA-N 1 1 344.459 0.974 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001267623891 838068730 /nfs/dbraw/zinc/06/87/30/838068730.db2.gz KCTJEJKCUGQRQW-KGLIPLIRSA-N 1 1 338.452 0.256 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001267623891 838068740 /nfs/dbraw/zinc/06/87/40/838068740.db2.gz KCTJEJKCUGQRQW-KGLIPLIRSA-N 1 1 338.452 0.256 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC001267625433 838075169 /nfs/dbraw/zinc/07/51/69/838075169.db2.gz KHLJUSHPTRFNFK-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO CCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC#CCOC)C2)C1 ZINC001267626126 838077026 /nfs/dbraw/zinc/07/70/26/838077026.db2.gz NQXUXCVAAVRWLX-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO CCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC#CCOC)C2)C1 ZINC001267626126 838077037 /nfs/dbraw/zinc/07/70/37/838077037.db2.gz NQXUXCVAAVRWLX-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC[C@@H](SC)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267638997 838117973 /nfs/dbraw/zinc/11/79/73/838117973.db2.gz WNVYFKHNRPDUKJ-CHWSQXEVSA-N 1 1 326.466 0.548 20 30 ECEDMO C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267645743 838130295 /nfs/dbraw/zinc/13/02/95/838130295.db2.gz FHGVTHGUVOLIAJ-CYBMUJFWSA-N 1 1 345.365 0.859 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001267658609 838174405 /nfs/dbraw/zinc/17/44/05/838174405.db2.gz PUHUAUSRYOPIKP-CQSZACIVSA-N 1 1 334.420 0.872 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC001267680104 838238736 /nfs/dbraw/zinc/23/87/36/838238736.db2.gz GRZKDBFMKQXWGV-YJBOKZPZSA-N 1 1 335.448 0.515 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)C2)c1 ZINC001267681927 838240698 /nfs/dbraw/zinc/24/06/98/838240698.db2.gz CEOJGWZRGJMZAI-GOEBONIOSA-N 1 1 342.443 0.934 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001267681416 838241366 /nfs/dbraw/zinc/24/13/66/838241366.db2.gz MLXKUAURVDZUEC-XOKHGSTOSA-N 1 1 342.443 0.924 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC1C[NH+]([C@H]2CCN(CC)C2=O)C1 ZINC001267696983 838289398 /nfs/dbraw/zinc/28/93/98/838289398.db2.gz CAKZVMLTFMYHPV-SFHVURJKSA-N 1 1 339.439 0.879 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001267699564 838291258 /nfs/dbraw/zinc/29/12/58/838291258.db2.gz XFDCISUKYSSNCA-UHFFFAOYSA-N 1 1 328.372 0.981 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001267717409 838364220 /nfs/dbraw/zinc/36/42/20/838364220.db2.gz VMGUQXCHXFLFIS-AVGNSLFASA-N 1 1 332.408 0.017 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001267719683 838372899 /nfs/dbraw/zinc/37/28/99/838372899.db2.gz JMYXFTHPYXMCCG-HNNXBMFYSA-N 1 1 345.447 0.733 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001267719683 838372905 /nfs/dbraw/zinc/37/29/05/838372905.db2.gz JMYXFTHPYXMCCG-HNNXBMFYSA-N 1 1 345.447 0.733 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001267723433 838380687 /nfs/dbraw/zinc/38/06/87/838380687.db2.gz BEKAFOBOLYXNCF-HNNXBMFYSA-N 1 1 330.432 0.602 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001267723433 838380693 /nfs/dbraw/zinc/38/06/93/838380693.db2.gz BEKAFOBOLYXNCF-HNNXBMFYSA-N 1 1 330.432 0.602 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc3cccnn32)C1 ZINC001267731085 838418699 /nfs/dbraw/zinc/41/86/99/838418699.db2.gz NCIONUFTWVMCKK-KBPBESRZSA-N 1 1 339.399 0.276 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc3cccnn32)C1 ZINC001267731085 838418704 /nfs/dbraw/zinc/41/87/04/838418704.db2.gz NCIONUFTWVMCKK-KBPBESRZSA-N 1 1 339.399 0.276 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)CCn2ccnc2)CC1 ZINC001267739679 838438417 /nfs/dbraw/zinc/43/84/17/838438417.db2.gz ICCXJFLYWFQHDK-UHFFFAOYSA-N 1 1 345.447 0.193 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001267744815 838448236 /nfs/dbraw/zinc/44/82/36/838448236.db2.gz ZXAMHDLIEVDNHY-NWDGAFQWSA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001267744815 838448239 /nfs/dbraw/zinc/44/82/39/838448239.db2.gz ZXAMHDLIEVDNHY-NWDGAFQWSA-N 1 1 342.403 0.453 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)Cc2ccco2)CC1 ZINC001267752824 838475537 /nfs/dbraw/zinc/47/55/37/838475537.db2.gz SZSJKWKDUUHIIH-UHFFFAOYSA-N 1 1 332.404 0.632 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001267768039 838506865 /nfs/dbraw/zinc/50/68/65/838506865.db2.gz LSFUHOJPXREYFK-HZPDHXFCSA-N 1 1 345.447 0.413 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001267768039 838506868 /nfs/dbraw/zinc/50/68/68/838506868.db2.gz LSFUHOJPXREYFK-HZPDHXFCSA-N 1 1 345.447 0.413 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CCF)c2)C1 ZINC001267768823 838508990 /nfs/dbraw/zinc/50/89/90/838508990.db2.gz QISOJBSMYDXGCU-DZGCQCFKSA-N 1 1 349.410 0.137 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CCF)c2)C1 ZINC001267768823 838508992 /nfs/dbraw/zinc/50/89/92/838508992.db2.gz QISOJBSMYDXGCU-DZGCQCFKSA-N 1 1 349.410 0.137 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccnc2OC)C1 ZINC001267771701 838522066 /nfs/dbraw/zinc/52/20/66/838522066.db2.gz LRTDDSMWZAGBNX-UONOGXRCSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccnc2OC)C1 ZINC001267771701 838522070 /nfs/dbraw/zinc/52/20/70/838522070.db2.gz LRTDDSMWZAGBNX-UONOGXRCSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001267777174 838542576 /nfs/dbraw/zinc/54/25/76/838542576.db2.gz KCXZNIVSTPDBBH-HNNXBMFYSA-N 1 1 347.463 0.970 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001267785503 838561205 /nfs/dbraw/zinc/56/12/05/838561205.db2.gz FFNRXRPYAFCIAF-STQMWFEESA-N 1 1 347.419 0.098 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001267785503 838561206 /nfs/dbraw/zinc/56/12/06/838561206.db2.gz FFNRXRPYAFCIAF-STQMWFEESA-N 1 1 347.419 0.098 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CC[N@H+](CC(=O)N(C)C(C)C)C1 ZINC001267787201 838564151 /nfs/dbraw/zinc/56/41/51/838564151.db2.gz XNVKCSVQPRBYCV-HOTGVXAUSA-N 1 1 337.464 0.814 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)N(C)C(C)C)C1 ZINC001267787201 838564155 /nfs/dbraw/zinc/56/41/55/838564155.db2.gz XNVKCSVQPRBYCV-HOTGVXAUSA-N 1 1 337.464 0.814 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)CCc2cn[nH]c2)C1 ZINC001267791912 838571520 /nfs/dbraw/zinc/57/15/20/838571520.db2.gz YKQXYRXAEPWYCY-HOCLYGCPSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CCc2cn[nH]c2)C1 ZINC001267791912 838571525 /nfs/dbraw/zinc/57/15/25/838571525.db2.gz YKQXYRXAEPWYCY-HOCLYGCPSA-N 1 1 345.447 0.403 20 30 ECEDMO C=CCn1cc(C(=O)NC2(C[NH2+]Cc3nc(C)no3)CCCC2)nn1 ZINC001267843207 838640360 /nfs/dbraw/zinc/64/03/60/838640360.db2.gz HUINSCJNWCBTTC-UHFFFAOYSA-N 1 1 345.407 0.988 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@](C)(C[NH2+]Cc2nnnn2C)C2CC2)nc1 ZINC001267863456 838661852 /nfs/dbraw/zinc/66/18/52/838661852.db2.gz IWPUKKGFNWJLHG-KRWDZBQOSA-N 1 1 339.403 0.275 20 30 ECEDMO N#CCSCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001267951102 838847543 /nfs/dbraw/zinc/84/75/43/838847543.db2.gz OVMHJINBDHTKDB-CYBMUJFWSA-N 1 1 348.476 0.952 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC2(CC[N@@H+](CC(=O)NCC=C)C2)CC1 ZINC001267973068 838905677 /nfs/dbraw/zinc/90/56/77/838905677.db2.gz BYUPCZPJUBEJPU-MRXNPFEDSA-N 1 1 347.459 0.641 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H](C)C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001268060069 839244332 /nfs/dbraw/zinc/24/43/32/839244332.db2.gz LUKVKNXXTIDIIB-CVEARBPZSA-N 1 1 347.463 0.911 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccnnc3C)C2)C1=O ZINC000971869277 735281576 /nfs/dbraw/zinc/28/15/76/735281576.db2.gz KWNUMEYQYYNDOA-HOCLYGCPSA-N 1 1 343.431 0.718 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000189891740 201049897 /nfs/dbraw/zinc/04/98/97/201049897.db2.gz UHJALELYAJOKCS-STQMWFEESA-N 1 1 326.441 0.164 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)COCCOC(C)C ZINC000265881663 201217655 /nfs/dbraw/zinc/21/76/55/201217655.db2.gz YLVPHUDLECQUAB-ZIAGYGMSSA-N 1 1 345.440 0.121 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000272058622 201247926 /nfs/dbraw/zinc/24/79/26/201247926.db2.gz WDRXIKPGMLMGGP-ZDUSSCGKSA-N 1 1 341.415 0.824 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c(OC)c1 ZINC000274066015 201265531 /nfs/dbraw/zinc/26/55/31/201265531.db2.gz BAVKMHZIQQQFJE-HRCADAONSA-N 1 1 337.416 0.591 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000275212091 201278516 /nfs/dbraw/zinc/27/85/16/201278516.db2.gz GFWUVNYRPFTPAC-UHFFFAOYSA-N 1 1 333.363 0.940 20 30 ECEDMO C#CCN(C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C1CC1 ZINC000276329510 201293802 /nfs/dbraw/zinc/29/38/02/201293802.db2.gz XSJWHFSSHVDXIY-UHFFFAOYSA-N 1 1 342.399 0.749 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000174605525 207035852 /nfs/dbraw/zinc/03/58/52/207035852.db2.gz QLQWJALPXJQHBA-MRXNPFEDSA-N 1 1 332.379 0.677 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000174605525 207035855 /nfs/dbraw/zinc/03/58/55/207035855.db2.gz QLQWJALPXJQHBA-MRXNPFEDSA-N 1 1 332.379 0.677 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)nc1 ZINC000176426197 207226039 /nfs/dbraw/zinc/22/60/39/207226039.db2.gz XGUSHEPCFMURAP-INIZCTEOSA-N 1 1 346.431 0.632 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000330378515 285000233 /nfs/dbraw/zinc/00/02/33/285000233.db2.gz GAPFAVXNDOEJKR-UONOGXRCSA-N 1 1 346.497 0.490 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000330378515 285000237 /nfs/dbraw/zinc/00/02/37/285000237.db2.gz GAPFAVXNDOEJKR-UONOGXRCSA-N 1 1 346.497 0.490 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000329995419 285019746 /nfs/dbraw/zinc/01/97/46/285019746.db2.gz NDFNQBJIKVBGPH-ZMSDIMECSA-N 1 1 341.452 0.891 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000058925317 254484620 /nfs/dbraw/zinc/48/46/20/254484620.db2.gz SCLIJLLETVACER-AWEZNQCLSA-N 1 1 349.456 0.670 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)NCC[N@H+](C)CCOC ZINC000285879287 254563358 /nfs/dbraw/zinc/56/33/58/254563358.db2.gz IQDRFKUKWIPYNR-UHFFFAOYSA-N 1 1 337.420 0.531 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCSCC1 ZINC000329005449 254596072 /nfs/dbraw/zinc/59/60/72/254596072.db2.gz XGQFMPRULIMXIO-VXGBXAGGSA-N 1 1 335.495 0.804 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H]1O ZINC000343583665 254688438 /nfs/dbraw/zinc/68/84/38/254688438.db2.gz UQLUZVQUBKVQSZ-QLFBSQMISA-N 1 1 348.472 0.770 20 30 ECEDMO C[N@@H+]1CCN(c2ccnc(C#N)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496873000 255138206 /nfs/dbraw/zinc/13/82/06/255138206.db2.gz GMWRDZYVGWEHLF-LBPRGKRZSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2ccnc(C#N)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496873000 255138208 /nfs/dbraw/zinc/13/82/08/255138208.db2.gz GMWRDZYVGWEHLF-LBPRGKRZSA-N 1 1 332.408 0.993 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000330185937 287346113 /nfs/dbraw/zinc/34/61/13/287346113.db2.gz RPNSBPQLLKTCRP-ZIAGYGMSSA-N 1 1 346.497 0.598 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC001041705521 782023680 /nfs/dbraw/zinc/02/36/80/782023680.db2.gz WAKTVZHGDLSOOD-IBGZPJMESA-N 1 1 342.443 0.912 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000491072590 421165025 /nfs/dbraw/zinc/16/50/25/421165025.db2.gz UAGAMSCVJXMALU-UHFFFAOYSA-N 1 1 330.392 0.115 20 30 ECEDMO CNC(=O)NC(=O)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000025934247 263140387 /nfs/dbraw/zinc/14/03/87/263140387.db2.gz YACWNWJPQZULLF-UHFFFAOYSA-N 1 1 343.431 0.912 20 30 ECEDMO CNC(=O)NC(=O)CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000025934247 263140388 /nfs/dbraw/zinc/14/03/88/263140388.db2.gz YACWNWJPQZULLF-UHFFFAOYSA-N 1 1 343.431 0.912 20 30 ECEDMO CNC(=O)NC(=O)CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000025934247 263140389 /nfs/dbraw/zinc/14/03/89/263140389.db2.gz YACWNWJPQZULLF-UHFFFAOYSA-N 1 1 343.431 0.912 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000528418872 270008092 /nfs/dbraw/zinc/00/80/92/270008092.db2.gz WLYZAVKHNISJON-KGLIPLIRSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000534217266 270008413 /nfs/dbraw/zinc/00/84/13/270008413.db2.gz OHRFMMAGGVYZBH-ZDUSSCGKSA-N 1 1 327.344 0.123 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000534217266 270008414 /nfs/dbraw/zinc/00/84/14/270008414.db2.gz OHRFMMAGGVYZBH-ZDUSSCGKSA-N 1 1 327.344 0.123 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369609985 266130314 /nfs/dbraw/zinc/13/03/14/266130314.db2.gz VMNUGFSSLMXXAB-ZDUSSCGKSA-N 1 1 329.408 0.795 20 30 ECEDMO CCN1C(=O)[C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCN2C1=O ZINC000369450131 266142739 /nfs/dbraw/zinc/14/27/39/266142739.db2.gz BJQQKKCHALKTSI-HNNXBMFYSA-N 1 1 328.372 0.905 20 30 ECEDMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1 ZINC000373458203 266144390 /nfs/dbraw/zinc/14/43/90/266144390.db2.gz HLDAXTWTXBHEKO-CYBMUJFWSA-N 1 1 331.424 0.981 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000337050646 266150088 /nfs/dbraw/zinc/15/00/88/266150088.db2.gz NFNOMTBOMLSFGK-KGLIPLIRSA-N 1 1 333.440 0.101 20 30 ECEDMO CC[N@H+]1CC[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 ZINC000334135531 266154990 /nfs/dbraw/zinc/15/49/90/266154990.db2.gz YBRCHRNYQKWFCD-KBPBESRZSA-N 1 1 343.435 0.663 20 30 ECEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000294393205 266157564 /nfs/dbraw/zinc/15/75/64/266157564.db2.gz SDFAHXRKVHSUQD-KGLIPLIRSA-N 1 1 327.388 0.977 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(CC(=O)NCc3ccc(C#N)cc3)[C@@H]2C1 ZINC000339389456 266157931 /nfs/dbraw/zinc/15/79/31/266157931.db2.gz QVNALHAJSOSPHM-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340338832 267048930 /nfs/dbraw/zinc/04/89/30/267048930.db2.gz HYCJBBUAMJANDT-GFCCVEGCSA-N 1 1 345.403 0.195 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340338832 267048934 /nfs/dbraw/zinc/04/89/34/267048934.db2.gz HYCJBBUAMJANDT-GFCCVEGCSA-N 1 1 345.403 0.195 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289435442 267065410 /nfs/dbraw/zinc/06/54/10/267065410.db2.gz YFARWDPZHFYTJF-HIFRSBDPSA-N 1 1 330.436 0.314 20 30 ECEDMO C[C@@](O)(CNC(=O)CSc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000343545937 267114691 /nfs/dbraw/zinc/11/46/91/267114691.db2.gz BGMARVOKXQDVIH-QGZVFWFLSA-N 1 1 349.456 0.850 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371019169 267995321 /nfs/dbraw/zinc/99/53/21/267995321.db2.gz QGXSWQIQNOXCDU-KGLIPLIRSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000371019169 267995323 /nfs/dbraw/zinc/99/53/23/267995323.db2.gz QGXSWQIQNOXCDU-KGLIPLIRSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)cc1 ZINC000370705454 268137772 /nfs/dbraw/zinc/13/77/72/268137772.db2.gz GXZCSWDWSAYWCB-LSDHHAIUSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000357897913 268138247 /nfs/dbraw/zinc/13/82/47/268138247.db2.gz YWEPPLHXBXRPBU-AWEZNQCLSA-N 1 1 336.417 0.640 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)CN3CCOCC3)C2)nc1 ZINC000366374290 268181926 /nfs/dbraw/zinc/18/19/26/268181926.db2.gz HMVCYRRKGBVRAG-HZPDHXFCSA-N 1 1 332.404 0.099 20 30 ECEDMO N#Cc1ccc(S(N)(=O)=O)cc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367827283 268209185 /nfs/dbraw/zinc/20/91/85/268209185.db2.gz UBYOELQBBBGXPL-CYBMUJFWSA-N 1 1 336.417 0.117 20 30 ECEDMO N#Cc1ccc(C2([NH2+]CCC(=O)N3CCNCC3)CCOCC2)cc1 ZINC000530233860 268211138 /nfs/dbraw/zinc/21/11/38/268211138.db2.gz KBOZKHPNPFYXFU-UHFFFAOYSA-N 1 1 342.443 0.975 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000369111690 268255888 /nfs/dbraw/zinc/25/58/88/268255888.db2.gz QXAPHDNFGJQFCF-HOTGVXAUSA-N 1 1 335.429 0.841 20 30 ECEDMO N#Cc1cccc(N2CC[NH+](CCCN3C(=O)CNC3=O)CC2)n1 ZINC000355107930 268261766 /nfs/dbraw/zinc/26/17/66/268261766.db2.gz ZJRLLQUZCZYLPN-UHFFFAOYSA-N 1 1 328.376 0.017 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000289504318 268314520 /nfs/dbraw/zinc/31/45/20/268314520.db2.gz QGZNJFVDPVYQCW-CQSZACIVSA-N 1 1 338.433 0.468 20 30 ECEDMO N#Cc1cscc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000343178161 268321361 /nfs/dbraw/zinc/32/13/61/268321361.db2.gz BASZRQHHXYGJOQ-UHFFFAOYSA-N 1 1 336.461 0.740 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](OC)C[C@H]1CC(=O)OCC ZINC000491295080 275380170 /nfs/dbraw/zinc/38/01/70/275380170.db2.gz FMUBXLONQBZQLI-GJZGRUSLSA-N 1 1 339.436 0.694 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000330482178 277042698 /nfs/dbraw/zinc/04/26/98/277042698.db2.gz WOPXSICCYFCXIO-CVEARBPZSA-N 1 1 340.468 0.858 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C[NH+]=C([O-])N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000329794587 277119398 /nfs/dbraw/zinc/11/93/98/277119398.db2.gz WAOKVPJNDDGUJA-VIFPVBQESA-N 1 1 348.329 0.357 20 30 ECEDMO C[N@H+]1CCO[C@@H](C[NH+]=C([O-])N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000329794587 277119400 /nfs/dbraw/zinc/11/94/00/277119400.db2.gz WAOKVPJNDDGUJA-VIFPVBQESA-N 1 1 348.329 0.357 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)N(C(C)=O)C1 ZINC000329945908 277349363 /nfs/dbraw/zinc/34/93/63/277349363.db2.gz JIIKQEMSINDUTJ-CWRNSKLLSA-N 1 1 340.468 0.605 20 30 ECEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000337171950 278190066 /nfs/dbraw/zinc/19/00/66/278190066.db2.gz GGKJBYCJGPLNBP-MGPQQGTHSA-N 1 1 330.454 0.166 20 30 ECEDMO CC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCS1(=O)=O ZINC000329776269 278290932 /nfs/dbraw/zinc/29/09/32/278290932.db2.gz NXJCVVFWKMKLMF-LLVKDONJSA-N 1 1 326.422 0.621 20 30 ECEDMO C[C@@](O)(CNC(=O)Nc1cccc2c1OCO2)C[NH+]1CCOCC1 ZINC000329422130 279150159 /nfs/dbraw/zinc/15/01/59/279150159.db2.gz DXSWGFYGACSWNI-MRXNPFEDSA-N 1 1 337.376 0.824 20 30 ECEDMO CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000331200538 280134251 /nfs/dbraw/zinc/13/42/51/280134251.db2.gz YNNOHHOMEAXBPI-KBPBESRZSA-N 1 1 342.484 0.838 20 30 ECEDMO CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000331200538 280134254 /nfs/dbraw/zinc/13/42/54/280134254.db2.gz YNNOHHOMEAXBPI-KBPBESRZSA-N 1 1 342.484 0.838 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000333087564 280134514 /nfs/dbraw/zinc/13/45/14/280134514.db2.gz NLZNZAGZCFZCQA-YESZJQIVSA-N 1 1 333.480 0.315 20 30 ECEDMO Cn1c(=O)c(C#N)c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(C)c1=O ZINC000269415621 294136569 /nfs/dbraw/zinc/13/65/69/294136569.db2.gz KKQKBIOUYLXAML-WFASDCNBSA-N 1 1 343.431 0.409 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(CC(=O)NCc3cccc(C#N)c3)[C@@H]2C1 ZINC000332767250 297071850 /nfs/dbraw/zinc/07/18/50/297071850.db2.gz FEQXXAPHNHQLAH-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000337856984 298278307 /nfs/dbraw/zinc/27/83/07/298278307.db2.gz ZINPXFPSGLDHPR-CYBMUJFWSA-N 1 1 331.486 0.081 20 30 ECEDMO COC(=O)CCNC(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000076199591 436195674 /nfs/dbraw/zinc/19/56/74/436195674.db2.gz HPDMHRTZCXICLW-UHFFFAOYSA-N 1 1 344.415 0.750 20 30 ECEDMO COC(=O)CCNC(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000076199591 436195679 /nfs/dbraw/zinc/19/56/79/436195679.db2.gz HPDMHRTZCXICLW-UHFFFAOYSA-N 1 1 344.415 0.750 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000079068225 436288328 /nfs/dbraw/zinc/28/83/28/436288328.db2.gz MDATYJGQHFWPOL-HNNXBMFYSA-N 1 1 335.429 0.901 20 30 ECEDMO CN1CC[NH+](Cc2ccc(C(=O)N3CCN(CC#N)CC3)cc2)CC1 ZINC000081423072 436345948 /nfs/dbraw/zinc/34/59/48/436345948.db2.gz MQPIIZQGPMDEHZ-UHFFFAOYSA-N 1 1 341.459 0.715 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[N@H+](CCCOC)CC1 ZINC000081087997 436338737 /nfs/dbraw/zinc/33/87/37/436338737.db2.gz PIFZIMOUDLVDCZ-AWEZNQCLSA-N 1 1 326.441 0.431 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000045572751 436370416 /nfs/dbraw/zinc/37/04/16/436370416.db2.gz WTRKNJBCBDITSH-OAHLLOKOSA-N 1 1 345.451 0.790 20 30 ECEDMO CN(CC(=O)Nc1cccc(C#N)c1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000083245031 436371896 /nfs/dbraw/zinc/37/18/96/436371896.db2.gz BGKVYSCUEHCNGU-MRXNPFEDSA-N 1 1 332.404 0.122 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CCO)CC1 ZINC000092618536 436473472 /nfs/dbraw/zinc/47/34/72/436473472.db2.gz CSWQKFZBYQUZET-SJORKVTESA-N 1 1 336.480 0.916 20 30 ECEDMO CN(C)C(=O)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053977231 436543062 /nfs/dbraw/zinc/54/30/62/436543062.db2.gz XHCKEBSXPWRIMT-UHFFFAOYSA-N 1 1 343.431 0.864 20 30 ECEDMO C#CCN(C(=S)NC[C@H]1CCC[N@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000054974785 436562665 /nfs/dbraw/zinc/56/26/65/436562665.db2.gz OFADBYHXTZONSY-ZIAGYGMSSA-N 1 1 343.518 0.468 20 30 ECEDMO C#CCN(C(=S)NC[C@H]1CCC[N@@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000054974785 436562669 /nfs/dbraw/zinc/56/26/69/436562669.db2.gz OFADBYHXTZONSY-ZIAGYGMSSA-N 1 1 343.518 0.468 20 30 ECEDMO CN(CCC#N)S(=O)(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000056095819 436586781 /nfs/dbraw/zinc/58/67/81/436586781.db2.gz AYKIOXHHZZGDOC-UHFFFAOYSA-N 1 1 337.449 0.726 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000112701084 436634101 /nfs/dbraw/zinc/63/41/01/436634101.db2.gz IJPRVMVDTHDWCS-CYBMUJFWSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000112701084 436634102 /nfs/dbraw/zinc/63/41/02/436634102.db2.gz IJPRVMVDTHDWCS-CYBMUJFWSA-N 1 1 338.452 0.873 20 30 ECEDMO C[C@@H](CNC(=O)CNc1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000114379664 436640452 /nfs/dbraw/zinc/64/04/52/436640452.db2.gz BWJQNFRLTRDYLJ-HNNXBMFYSA-N 1 1 329.448 0.970 20 30 ECEDMO CCN(CCC#N)C(=O)CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519293 436693594 /nfs/dbraw/zinc/69/35/94/436693594.db2.gz VSBCIDUNLMCAAE-UHFFFAOYSA-N 1 1 337.468 0.138 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120184066 436681820 /nfs/dbraw/zinc/68/18/20/436681820.db2.gz LQLOURZDIMKTBF-ZDUSSCGKSA-N 1 1 336.436 0.864 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(CCC#N)CCC#N)C1 ZINC000122010604 436730549 /nfs/dbraw/zinc/73/05/49/436730549.db2.gz MSJYPJHWELKCDJ-MRXNPFEDSA-N 1 1 335.452 0.589 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124055357 436746443 /nfs/dbraw/zinc/74/64/43/436746443.db2.gz YIKZZYPJZNTUJC-CQSZACIVSA-N 1 1 340.468 0.677 20 30 ECEDMO CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000249300238 436819270 /nfs/dbraw/zinc/81/92/70/436819270.db2.gz DEMLYOIOBFKDGO-GJZGRUSLSA-N 1 1 338.429 0.807 20 30 ECEDMO CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000249300238 436819271 /nfs/dbraw/zinc/81/92/71/436819271.db2.gz DEMLYOIOBFKDGO-GJZGRUSLSA-N 1 1 338.429 0.807 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2cccc(C#N)c2)CC1 ZINC000069401047 436770751 /nfs/dbraw/zinc/77/07/51/436770751.db2.gz COSLJBKNKDGPBX-UHFFFAOYSA-N 1 1 343.431 0.910 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000155313830 436792742 /nfs/dbraw/zinc/79/27/42/436792742.db2.gz GCPWAJLOLJOCSE-CVEARBPZSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000155313830 436792744 /nfs/dbraw/zinc/79/27/44/436792744.db2.gz GCPWAJLOLJOCSE-CVEARBPZSA-N 1 1 342.399 0.866 20 30 ECEDMO C[C@@](O)(CNC(=O)/C=C\c1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000255133405 436850877 /nfs/dbraw/zinc/85/08/77/436850877.db2.gz PYSQJYBISCFOLQ-OOFWQKGWSA-N 1 1 329.400 0.771 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)c2nccn2c1 ZINC000293270123 436862259 /nfs/dbraw/zinc/86/22/59/436862259.db2.gz FQCPUNAEVWWNHD-UHFFFAOYSA-N 1 1 327.388 0.653 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000293887449 436916286 /nfs/dbraw/zinc/91/62/86/436916286.db2.gz DBMMHRHQIQHCAT-MRXNPFEDSA-N 1 1 341.411 0.577 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)c(F)cc1OC ZINC000293424956 436876560 /nfs/dbraw/zinc/87/65/60/436876560.db2.gz QGRWJRZXUWWIDV-UHFFFAOYSA-N 1 1 339.342 0.983 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000274893905 436888885 /nfs/dbraw/zinc/88/88/85/436888885.db2.gz QJAXZOPCPNQYNZ-CQSZACIVSA-N 1 1 326.356 0.440 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000134949333 436906623 /nfs/dbraw/zinc/90/66/23/436906623.db2.gz XSRPYWQJDNHCKM-UHFFFAOYSA-N 1 1 344.459 0.959 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000294048568 436929927 /nfs/dbraw/zinc/92/99/27/436929927.db2.gz TYRTXKYAUWQVCC-UHFFFAOYSA-N 1 1 328.376 0.356 20 30 ECEDMO C[C@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)C[NH+]1CCOCC1 ZINC000136294161 436931894 /nfs/dbraw/zinc/93/18/94/436931894.db2.gz MDLLQQBSMAZJNQ-CQSZACIVSA-N 1 1 330.384 0.851 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CC)c2=O ZINC000294105451 436933470 /nfs/dbraw/zinc/93/34/70/436933470.db2.gz YOOQVOTVMJMESV-UHFFFAOYSA-N 1 1 342.399 0.807 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1C#N ZINC000295980333 436981491 /nfs/dbraw/zinc/98/14/91/436981491.db2.gz CZPAFFOCTZHFLK-AWEZNQCLSA-N 1 1 344.415 0.768 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000296565766 436993910 /nfs/dbraw/zinc/99/39/10/436993910.db2.gz XHSPNXOLBDNQMR-LLVKDONJSA-N 1 1 334.342 0.404 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=O ZINC000296782010 436997997 /nfs/dbraw/zinc/99/79/97/436997997.db2.gz QGFAWQYMGLWLGA-STQMWFEESA-N 1 1 327.425 0.591 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000296920602 436998158 /nfs/dbraw/zinc/99/81/58/436998158.db2.gz OEPWLYKEZFSTMF-INIZCTEOSA-N 1 1 346.479 0.952 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000296860278 436998786 /nfs/dbraw/zinc/99/87/86/436998786.db2.gz KLJOSFUZUQMDAK-IRXDYDNUSA-N 1 1 333.432 0.725 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000297064763 437002951 /nfs/dbraw/zinc/00/29/51/437002951.db2.gz MPASGKAWXBATLZ-UHFFFAOYSA-N 1 1 335.429 0.439 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)NCc2ccc(C)cc2)CC1 ZINC000299342497 437070050 /nfs/dbraw/zinc/07/00/50/437070050.db2.gz RPYHJXRSUTVRDI-UHFFFAOYSA-N 1 1 342.443 0.962 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2C(=O)c3ccc(C)cc3C2=O)CC1 ZINC000299724965 437106362 /nfs/dbraw/zinc/10/63/62/437106362.db2.gz ZTRPWLYFSQTIJV-UHFFFAOYSA-N 1 1 339.395 0.759 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000286989866 437150908 /nfs/dbraw/zinc/15/09/08/437150908.db2.gz PKTYDYBQOXPXIZ-HNNXBMFYSA-N 1 1 339.403 0.723 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000286821798 437135060 /nfs/dbraw/zinc/13/50/60/437135060.db2.gz WLSMTZJRGGYFLG-ZDUSSCGKSA-N 1 1 347.463 0.922 20 30 ECEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000177380536 437180199 /nfs/dbraw/zinc/18/01/99/437180199.db2.gz BQORYHZZYWCXBO-GOSISDBHSA-N 1 1 335.496 0.753 20 30 ECEDMO CN(CCN(C)C1CC[NH+](C)CC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000177380536 437180202 /nfs/dbraw/zinc/18/02/02/437180202.db2.gz BQORYHZZYWCXBO-GOSISDBHSA-N 1 1 335.496 0.753 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000317056987 437191567 /nfs/dbraw/zinc/19/15/67/437191567.db2.gz XPQQBRKIUXDAPQ-ZDUSSCGKSA-N 1 1 342.442 0.499 20 30 ECEDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000177909983 437200958 /nfs/dbraw/zinc/20/09/58/437200958.db2.gz IGBBSFZDAQNXAU-CQSZACIVSA-N 1 1 348.378 0.551 20 30 ECEDMO C[C@@H](O)C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000305768627 437165487 /nfs/dbraw/zinc/16/54/87/437165487.db2.gz GEVVWQKXKRWHHR-ZIAGYGMSSA-N 1 1 336.461 0.770 20 30 ECEDMO N#CCc1ccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000332518912 437227901 /nfs/dbraw/zinc/22/79/01/437227901.db2.gz JGGCPDXVEVGWDH-UHFFFAOYSA-N 1 1 342.443 0.729 20 30 ECEDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000332510806 437228188 /nfs/dbraw/zinc/22/81/88/437228188.db2.gz ZKZZUCRPIHQCTJ-CYBMUJFWSA-N 1 1 342.465 0.343 20 30 ECEDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000332510806 437228189 /nfs/dbraw/zinc/22/81/89/437228189.db2.gz ZKZZUCRPIHQCTJ-CYBMUJFWSA-N 1 1 342.465 0.343 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000328205361 437237840 /nfs/dbraw/zinc/23/78/40/437237840.db2.gz UUQUUGZAJCCLCZ-UHFFFAOYSA-N 1 1 325.390 0.969 20 30 ECEDMO CC(C)[N@H+]1CCCN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000328742074 437259472 /nfs/dbraw/zinc/25/94/72/437259472.db2.gz NUCAMOCTYPVTSQ-CQSZACIVSA-N 1 1 346.497 0.741 20 30 ECEDMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1COCCN1C ZINC000328918364 437284162 /nfs/dbraw/zinc/28/41/62/437284162.db2.gz AGOQCNBFNXMZSV-HZPDHXFCSA-N 1 1 347.463 0.879 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[N@H+](C3CC3)CC2)CC1 ZINC000180593889 437296506 /nfs/dbraw/zinc/29/65/06/437296506.db2.gz SNOJEIMZCMTBST-GOSISDBHSA-N 1 1 347.507 0.849 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000329268123 437345099 /nfs/dbraw/zinc/34/50/99/437345099.db2.gz GKDCLUQBFXVEFA-LSDHHAIUSA-N 1 1 341.452 0.627 20 30 ECEDMO Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2=O)n1 ZINC000329286858 437346746 /nfs/dbraw/zinc/34/67/46/437346746.db2.gz GZZPKRRKXKZQQF-OCCSQVGLSA-N 1 1 346.435 0.656 20 30 ECEDMO CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nn1 ZINC000329320362 437351550 /nfs/dbraw/zinc/35/15/50/437351550.db2.gz GHDJNTOTFRHWRW-FAAHXZRKSA-N 1 1 335.408 0.796 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@@H](C)O)C3)CC2)o1 ZINC000183147415 437376786 /nfs/dbraw/zinc/37/67/86/437376786.db2.gz WEOSITMDZUNGBG-TZMCWYRMSA-N 1 1 347.419 0.206 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)[C@H](C)C1 ZINC000329366945 437357237 /nfs/dbraw/zinc/35/72/37/437357237.db2.gz HCSOPPFQPGSKKZ-CBBWQLFWSA-N 1 1 336.440 0.794 20 30 ECEDMO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2COC[C@H]2n2ccnn2)[C@H](C)C1 ZINC000329366945 437357240 /nfs/dbraw/zinc/35/72/40/437357240.db2.gz HCSOPPFQPGSKKZ-CBBWQLFWSA-N 1 1 336.440 0.794 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2COC[C@H]2n2ccnn2)[C@H](C)C1 ZINC000329366945 437357243 /nfs/dbraw/zinc/35/72/43/437357243.db2.gz HCSOPPFQPGSKKZ-CBBWQLFWSA-N 1 1 336.440 0.794 20 30 ECEDMO N#C[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000182899159 437365949 /nfs/dbraw/zinc/36/59/49/437365949.db2.gz DWVAQLVKUMIULX-IRXDYDNUSA-N 1 1 344.415 0.687 20 30 ECEDMO C[C@H](CN1CCOCC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329503069 437377044 /nfs/dbraw/zinc/37/70/44/437377044.db2.gz AMDANNOHJBZKMD-BZUAXINKSA-N 1 1 340.468 0.416 20 30 ECEDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N(CCC#N)CCOC)C1 ZINC000337072472 437326859 /nfs/dbraw/zinc/32/68/59/437326859.db2.gz PNNDDWLFPWZXJW-CQSZACIVSA-N 1 1 332.470 0.367 20 30 ECEDMO Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@H]2[C@@H]3COC[C@@H]32)CCC[N@H+]1C ZINC000329198177 437333713 /nfs/dbraw/zinc/33/37/13/437333713.db2.gz UNZATLHRSAXNTO-QZPUYBJASA-N 1 1 333.436 0.951 20 30 ECEDMO C[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1)C(=O)N1CCCCC1 ZINC000329211869 437335986 /nfs/dbraw/zinc/33/59/86/437335986.db2.gz ZNWKERJALJCVAI-NHYWBVRUSA-N 1 1 326.397 0.316 20 30 ECEDMO C[C@H](NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1)C(=O)N1CCCCC1 ZINC000329211869 437335987 /nfs/dbraw/zinc/33/59/87/437335987.db2.gz ZNWKERJALJCVAI-NHYWBVRUSA-N 1 1 326.397 0.316 20 30 ECEDMO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000329238069 437338739 /nfs/dbraw/zinc/33/87/39/437338739.db2.gz KVKUEDNVDDMUDG-MELADBBJSA-N 1 1 325.409 0.301 20 30 ECEDMO O=C1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCN1CC(F)(F)F ZINC000329234114 437338957 /nfs/dbraw/zinc/33/89/57/437338957.db2.gz MMIJNZMMIVZNGB-SNVBAGLBSA-N 1 1 345.325 0.818 20 30 ECEDMO C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329704352 437402989 /nfs/dbraw/zinc/40/29/89/437402989.db2.gz JIWDIHHNCZNQPW-GFCCVEGCSA-N 1 1 330.454 0.128 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000329792534 437412750 /nfs/dbraw/zinc/41/27/50/437412750.db2.gz AGZMDPBOSJOAGA-BYNQJWBRSA-N 1 1 329.466 0.891 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000329792534 437412752 /nfs/dbraw/zinc/41/27/52/437412752.db2.gz AGZMDPBOSJOAGA-BYNQJWBRSA-N 1 1 329.466 0.891 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000329814366 437415995 /nfs/dbraw/zinc/41/59/95/437415995.db2.gz DDSDVXPTQJQGJR-RHSMWYFYSA-N 1 1 346.479 0.934 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2=O)CC[N@H+]1C ZINC000329816308 437416686 /nfs/dbraw/zinc/41/66/86/437416686.db2.gz VUOQGNNQTFXNGR-UMVBOHGHSA-N 1 1 348.451 0.902 20 30 ECEDMO C[C@@H]1CS(=O)(=O)CCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000329823172 437417476 /nfs/dbraw/zinc/41/74/76/437417476.db2.gz ZJQKGAIUIKWHPT-DGCLKSJQSA-N 1 1 335.495 0.457 20 30 ECEDMO Cc1nc([C@@H]2CN(C(=O)NCC[NH+]3CCSCC3)CCO2)no1 ZINC000329513067 437377498 /nfs/dbraw/zinc/37/74/98/437377498.db2.gz NRGRGBUZSGIOSU-LBPRGKRZSA-N 1 1 341.437 0.714 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000337766104 437378618 /nfs/dbraw/zinc/37/86/18/437378618.db2.gz MSSPLMPJAVBILQ-UONOGXRCSA-N 1 1 344.481 0.650 20 30 ECEDMO O=C(C[N@@H+]1CCOCC2(CCOCC2)C1)NCC(=O)N1CCCC1 ZINC000329591319 437387037 /nfs/dbraw/zinc/38/70/37/437387037.db2.gz YVJJGJRWMMHOIS-UHFFFAOYSA-N 1 1 339.436 0.694 20 30 ECEDMO O=C(C[N@H+]1CCOCC2(CCOCC2)C1)NCC(=O)N1CCCC1 ZINC000329591319 437387043 /nfs/dbraw/zinc/38/70/43/437387043.db2.gz YVJJGJRWMMHOIS-UHFFFAOYSA-N 1 1 339.436 0.694 20 30 ECEDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000329954832 437435886 /nfs/dbraw/zinc/43/58/86/437435886.db2.gz NZEOXLUZLAAXDV-LBPRGKRZSA-N 1 1 336.440 0.444 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000329954832 437435887 /nfs/dbraw/zinc/43/58/87/437435887.db2.gz NZEOXLUZLAAXDV-LBPRGKRZSA-N 1 1 336.440 0.444 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269073422 437450882 /nfs/dbraw/zinc/45/08/82/437450882.db2.gz FYZZCNRPRKCVGD-GFCCVEGCSA-N 1 1 349.822 0.512 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCOCC2CC2)CC1 ZINC000330130826 437458494 /nfs/dbraw/zinc/45/84/94/437458494.db2.gz KQFPXGSYPACQGR-HNNXBMFYSA-N 1 1 338.452 0.565 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000330374323 437493004 /nfs/dbraw/zinc/49/30/04/437493004.db2.gz BXZUXGFXHPEUDP-ZDUSSCGKSA-N 1 1 332.470 0.101 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000339751338 437502536 /nfs/dbraw/zinc/50/25/36/437502536.db2.gz SFLDNWJBDWTWED-SJORKVTESA-N 1 1 336.480 0.773 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000330409661 437505309 /nfs/dbraw/zinc/50/53/09/437505309.db2.gz YHTCNDIYNGDPLT-MGPQQGTHSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000330409661 437505314 /nfs/dbraw/zinc/50/53/14/437505314.db2.gz YHTCNDIYNGDPLT-MGPQQGTHSA-N 1 1 332.470 0.100 20 30 ECEDMO COC[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000330419223 437507737 /nfs/dbraw/zinc/50/77/37/437507737.db2.gz QCVJGSKJVAHKSX-CYBMUJFWSA-N 1 1 326.441 0.421 20 30 ECEDMO CC(C)C(=O)NC1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000330484063 437526584 /nfs/dbraw/zinc/52/65/84/437526584.db2.gz WMSKIMPIKOVLFA-UHFFFAOYSA-N 1 1 340.468 0.859 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)NCC2(C(=O)OC)CCOCC2)C1 ZINC000330843262 437630678 /nfs/dbraw/zinc/63/06/78/437630678.db2.gz XCJBCSTZIZJPHP-ZDUSSCGKSA-N 1 1 327.425 0.944 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000343737043 437642849 /nfs/dbraw/zinc/64/28/49/437642849.db2.gz HOQQCCURMGKECR-DOTOQJQBSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 ZINC000343743438 437644914 /nfs/dbraw/zinc/64/49/14/437644914.db2.gz VGXSPMABXTXTFQ-MRXNPFEDSA-N 1 1 334.464 0.448 20 30 ECEDMO CC#CCCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000361284630 437658436 /nfs/dbraw/zinc/65/84/36/437658436.db2.gz BGCXMVUBRIIUQN-UHFFFAOYSA-N 1 1 330.436 0.701 20 30 ECEDMO CO[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1OC ZINC000331100847 437686958 /nfs/dbraw/zinc/68/69/58/437686958.db2.gz FQXCYWAHLMRHCD-KFWWJZLASA-N 1 1 329.441 0.603 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)OCC ZINC000361800131 437687432 /nfs/dbraw/zinc/68/74/32/437687432.db2.gz PVWWEAFEHOQOAL-IAGOWNOFSA-N 1 1 339.480 0.880 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)c3[nH+]ccn3c2)C1=O ZINC000355401601 437704449 /nfs/dbraw/zinc/70/44/49/437704449.db2.gz KMIWYMVZHHICON-UHFFFAOYSA-N 1 1 341.327 0.558 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000355341807 437700325 /nfs/dbraw/zinc/70/03/25/437700325.db2.gz KSLMQBKBUKRIOU-UHFFFAOYSA-N 1 1 331.420 0.729 20 30 ECEDMO C=CC[N@H+](CCOC)C[C@H](O)Cn1c(-c2ccccc2)noc1=O ZINC000362060587 437713472 /nfs/dbraw/zinc/71/34/72/437713472.db2.gz ZBOTUCFFOOLDTH-HNNXBMFYSA-N 1 1 333.388 0.999 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000363202641 437774474 /nfs/dbraw/zinc/77/44/74/437774474.db2.gz VITXCVGMHQTOEB-UHFFFAOYSA-N 1 1 331.420 0.971 20 30 ECEDMO CN(C)c1nc(N2CCN(CC(=O)NC3(C#N)CCC3)CC2)cc[nH+]1 ZINC000346977674 437822836 /nfs/dbraw/zinc/82/28/36/437822836.db2.gz KOQNPLUCBXKPOM-UHFFFAOYSA-N 1 1 343.435 0.227 20 30 ECEDMO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)nn1 ZINC000346533266 437813431 /nfs/dbraw/zinc/81/34/31/437813431.db2.gz NLKRKCOBYCJYBG-VXGBXAGGSA-N 1 1 346.391 0.262 20 30 ECEDMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)nn1 ZINC000346533266 437813433 /nfs/dbraw/zinc/81/34/33/437813433.db2.gz NLKRKCOBYCJYBG-VXGBXAGGSA-N 1 1 346.391 0.262 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C#N)s1 ZINC000341656178 437879479 /nfs/dbraw/zinc/87/94/79/437879479.db2.gz KNUQRYDOIJBIQQ-UHFFFAOYSA-N 1 1 330.479 0.782 20 30 ECEDMO CN(CCCNS(=O)(=O)c1ccc(C#N)s1)CC[NH+](C)C ZINC000341656178 437879483 /nfs/dbraw/zinc/87/94/83/437879483.db2.gz KNUQRYDOIJBIQQ-UHFFFAOYSA-N 1 1 330.479 0.782 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000365241656 437880745 /nfs/dbraw/zinc/88/07/45/437880745.db2.gz RWAPWADKZWLBNJ-IAGOWNOFSA-N 1 1 349.479 0.725 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416302536 437909172 /nfs/dbraw/zinc/90/91/72/437909172.db2.gz WTXKWKBHWFNIEN-KBPBESRZSA-N 1 1 347.415 0.859 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416302536 437909176 /nfs/dbraw/zinc/90/91/76/437909176.db2.gz WTXKWKBHWFNIEN-KBPBESRZSA-N 1 1 347.415 0.859 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000342024653 437946321 /nfs/dbraw/zinc/94/63/21/437946321.db2.gz OPPMJBBESKCOBH-CQSZACIVSA-N 1 1 325.453 0.932 20 30 ECEDMO CC(C)C[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000342400712 438014640 /nfs/dbraw/zinc/01/46/40/438014640.db2.gz NHRBRSKQFSATLR-UONOGXRCSA-N 1 1 334.424 0.574 20 30 ECEDMO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCN(CCO)CC1 ZINC000357643640 438032986 /nfs/dbraw/zinc/03/29/86/438032986.db2.gz GKCWCSDUYIINLQ-QGZVFWFLSA-N 1 1 333.432 0.686 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372704866 438107518 /nfs/dbraw/zinc/10/75/18/438107518.db2.gz MEJWPYUJABCELB-AEFFLSMTSA-N 1 1 339.480 0.738 20 30 ECEDMO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000430267630 438107801 /nfs/dbraw/zinc/10/78/01/438107801.db2.gz GLHMOJLLPHQJAN-CRAIPNDOSA-N 1 1 349.479 0.137 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372704889 438107890 /nfs/dbraw/zinc/10/78/90/438107890.db2.gz MEJWPYUJABCELB-WMZOPIPTSA-N 1 1 339.480 0.738 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCCO1 ZINC000372977705 438121202 /nfs/dbraw/zinc/12/12/02/438121202.db2.gz FXAQERKFBWLVDI-DOTOQJQBSA-N 1 1 349.479 0.869 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCCO1 ZINC000372977710 438122285 /nfs/dbraw/zinc/12/22/85/438122285.db2.gz FXAQERKFBWLVDI-NVXWUHKLSA-N 1 1 349.479 0.869 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366763364 438123812 /nfs/dbraw/zinc/12/38/12/438123812.db2.gz ZLMKTVWRDOWSGK-UONOGXRCSA-N 1 1 331.372 0.535 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366763364 438123815 /nfs/dbraw/zinc/12/38/15/438123815.db2.gz ZLMKTVWRDOWSGK-UONOGXRCSA-N 1 1 331.372 0.535 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)NCC)C1 ZINC000373128622 438130138 /nfs/dbraw/zinc/13/01/38/438130138.db2.gz ZVNPICLDKRUEHN-QWHCGFSZSA-N 1 1 346.435 0.868 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)NCC)C1 ZINC000373128622 438130142 /nfs/dbraw/zinc/13/01/42/438130142.db2.gz ZVNPICLDKRUEHN-QWHCGFSZSA-N 1 1 346.435 0.868 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000373532563 438157315 /nfs/dbraw/zinc/15/73/15/438157315.db2.gz IRNIUXXKMUZKDI-SGTLLEGYSA-N 1 1 342.399 0.983 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(N2C(=O)CCCC2=O)CC1 ZINC000375315911 438247570 /nfs/dbraw/zinc/24/75/70/438247570.db2.gz BRTXQIUFKFHJNO-AWEZNQCLSA-N 1 1 348.447 0.998 20 30 ECEDMO N#CCNC(=O)CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000367733693 438243222 /nfs/dbraw/zinc/24/32/22/438243222.db2.gz JQWLIGFJVSTJQU-HNNXBMFYSA-N 1 1 330.388 0.033 20 30 ECEDMO N#CCNC(=O)CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000367733693 438243224 /nfs/dbraw/zinc/24/32/24/438243224.db2.gz JQWLIGFJVSTJQU-HNNXBMFYSA-N 1 1 330.388 0.033 20 30 ECEDMO C[NH+]1CCN(C(=O)CN2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000374297068 438201974 /nfs/dbraw/zinc/20/19/74/438201974.db2.gz YHGTWVUKDZNORO-UHFFFAOYSA-N 1 1 327.432 0.713 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000374448368 438210746 /nfs/dbraw/zinc/21/07/46/438210746.db2.gz GIVRLPNDEYHMNL-OAHLLOKOSA-N 1 1 346.497 0.757 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000375743630 438262506 /nfs/dbraw/zinc/26/25/06/438262506.db2.gz LHUWNFSUQLAACD-IRXDYDNUSA-N 1 1 345.447 0.911 20 30 ECEDMO C=C(C)CN(CC)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000358638667 438270015 /nfs/dbraw/zinc/27/00/15/438270015.db2.gz STTSKACLGSDKRW-UHFFFAOYSA-N 1 1 326.485 0.984 20 30 ECEDMO C#CCC(CC#C)C(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000376596631 438287693 /nfs/dbraw/zinc/28/76/93/438287693.db2.gz DTSKYRBPVZSPET-UHFFFAOYSA-N 1 1 329.444 0.852 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccn3)C2)CC1 ZINC000368548806 438344104 /nfs/dbraw/zinc/34/41/04/438344104.db2.gz LWRGZTIUIZIYJL-OAHLLOKOSA-N 1 1 326.400 0.602 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000377052126 438300561 /nfs/dbraw/zinc/30/05/61/438300561.db2.gz RCOHUKNEIAAZOG-HIFRSBDPSA-N 1 1 329.404 0.588 20 30 ECEDMO C=C[C@@H](CO)NC(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000358792039 438301860 /nfs/dbraw/zinc/30/18/60/438301860.db2.gz QCOXQALSCJGORB-HNNXBMFYSA-N 1 1 349.431 0.908 20 30 ECEDMO C=C[C@@H](CO)NC(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000358792039 438301864 /nfs/dbraw/zinc/30/18/64/438301864.db2.gz QCOXQALSCJGORB-HNNXBMFYSA-N 1 1 349.431 0.908 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000368230760 438305785 /nfs/dbraw/zinc/30/57/85/438305785.db2.gz WQDAUKUHACZOJD-UHFFFAOYSA-N 1 1 327.428 0.833 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000368230760 438305789 /nfs/dbraw/zinc/30/57/89/438305789.db2.gz WQDAUKUHACZOJD-UHFFFAOYSA-N 1 1 327.428 0.833 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CC ZINC000377560313 438310626 /nfs/dbraw/zinc/31/06/26/438310626.db2.gz PYFMVNLURDNKAQ-KBPBESRZSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(C)=O ZINC000368670783 438363292 /nfs/dbraw/zinc/36/32/92/438363292.db2.gz FRHRCWXPZITQKE-CFVMTHIKSA-N 1 1 336.436 0.862 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000435627575 438373112 /nfs/dbraw/zinc/37/31/12/438373112.db2.gz MYMPPGWQQDWBDH-UHFFFAOYSA-N 1 1 347.394 0.390 20 30 ECEDMO N#CC1(F)CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000352484677 438427977 /nfs/dbraw/zinc/42/79/77/438427977.db2.gz SBIPDKZVNJOXBM-GFCCVEGCSA-N 1 1 331.347 0.971 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000368974745 438404617 /nfs/dbraw/zinc/40/46/17/438404617.db2.gz OSGQFBXAHZJROX-AWEZNQCLSA-N 1 1 344.415 0.203 20 30 ECEDMO CN1C(=O)[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCN2C1=O ZINC000369440484 438475797 /nfs/dbraw/zinc/47/57/97/438475797.db2.gz QJGYVAOXPSBGMZ-AWEZNQCLSA-N 1 1 341.371 0.465 20 30 ECEDMO C#CCSCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369608003 438496364 /nfs/dbraw/zinc/49/63/64/438496364.db2.gz VNQYJQVFKFFUDG-OAHLLOKOSA-N 1 1 340.493 0.059 20 30 ECEDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1C ZINC000441101995 438576509 /nfs/dbraw/zinc/57/65/09/438576509.db2.gz LPHNIDIWGQSVQH-STQMWFEESA-N 1 1 332.408 0.676 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1C ZINC000441101995 438576511 /nfs/dbraw/zinc/57/65/11/438576511.db2.gz LPHNIDIWGQSVQH-STQMWFEESA-N 1 1 332.408 0.676 20 30 ECEDMO CC[C@H](C)[NH+]1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 ZINC000451966127 438620457 /nfs/dbraw/zinc/62/04/57/438620457.db2.gz DRDOREKCSPYGHI-AWEZNQCLSA-N 1 1 332.470 0.509 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](CCCO)C2)CC1 ZINC000452122178 438644039 /nfs/dbraw/zinc/64/40/39/438644039.db2.gz OIJWMSOIPAOJKR-IAGOWNOFSA-N 1 1 336.480 0.773 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000443233848 438649377 /nfs/dbraw/zinc/64/93/77/438649377.db2.gz BPYSSDKQRZKJDC-INIZCTEOSA-N 1 1 337.445 0.847 20 30 ECEDMO N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000444567482 438662048 /nfs/dbraw/zinc/66/20/48/438662048.db2.gz HCUPOHUFFWSIRX-CYBMUJFWSA-N 1 1 344.419 0.868 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1 ZINC000494084528 438671757 /nfs/dbraw/zinc/67/17/57/438671757.db2.gz AWXAYKMPTFHFRW-HUUCEWRRSA-N 1 1 331.372 0.824 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1 ZINC000494084528 438671759 /nfs/dbraw/zinc/67/17/59/438671759.db2.gz AWXAYKMPTFHFRW-HUUCEWRRSA-N 1 1 331.372 0.824 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000411933348 438682557 /nfs/dbraw/zinc/68/25/57/438682557.db2.gz AXUUPSOGHUYBTR-CVEARBPZSA-N 1 1 349.479 0.089 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411966085 438683284 /nfs/dbraw/zinc/68/32/84/438683284.db2.gz LBXILGZFSIDNHR-KBXCAEBGSA-N 1 1 328.416 0.876 20 30 ECEDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000451252294 438696969 /nfs/dbraw/zinc/69/69/69/438696969.db2.gz HCXQRKYOJQQNQV-GVDBMIGSSA-N 1 1 336.480 0.772 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000451340925 438697818 /nfs/dbraw/zinc/69/78/18/438697818.db2.gz XTIALBAJMGQKKG-YOEHRIQHSA-N 1 1 331.372 0.596 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000451340925 438697821 /nfs/dbraw/zinc/69/78/21/438697821.db2.gz XTIALBAJMGQKKG-YOEHRIQHSA-N 1 1 331.372 0.596 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000455412446 438744485 /nfs/dbraw/zinc/74/44/85/438744485.db2.gz PXWKUDYOMFGLPJ-MCIONIFRSA-N 1 1 325.409 0.609 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000455412446 438744488 /nfs/dbraw/zinc/74/44/88/438744488.db2.gz PXWKUDYOMFGLPJ-MCIONIFRSA-N 1 1 325.409 0.609 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](CC)C(N)=O)C3)C2)nn1 ZINC001041729649 782069946 /nfs/dbraw/zinc/06/99/46/782069946.db2.gz VTBMEENRXIZBSO-RHSMWYFYSA-N 1 1 346.435 0.266 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000555879170 438779001 /nfs/dbraw/zinc/77/90/01/438779001.db2.gz VVEHNOUTBKNSOZ-HZPDHXFCSA-N 1 1 349.479 0.231 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000555879170 438779002 /nfs/dbraw/zinc/77/90/02/438779002.db2.gz VVEHNOUTBKNSOZ-HZPDHXFCSA-N 1 1 349.479 0.231 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](CC#N)C2)CC1 ZINC000595516950 438811403 /nfs/dbraw/zinc/81/14/03/438811403.db2.gz QXCQCTAGDOOCEO-AWEZNQCLSA-N 1 1 335.452 0.874 20 30 ECEDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC[C@H]21 ZINC000588129008 438820462 /nfs/dbraw/zinc/82/04/62/438820462.db2.gz XRZZMHQIWYWOIP-GOEBONIOSA-N 1 1 347.463 0.033 20 30 ECEDMO N#CCc1ccccc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000601185414 438827405 /nfs/dbraw/zinc/82/74/05/438827405.db2.gz RMYLIVICUSRGOU-KRWDZBQOSA-N 1 1 342.443 0.889 20 30 ECEDMO C[NH+](C)C1(CS(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000601297562 438841886 /nfs/dbraw/zinc/84/18/86/438841886.db2.gz CYGLHFSLQCPTNK-UHFFFAOYSA-N 1 1 349.460 0.499 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCC1 ZINC000589223536 438862660 /nfs/dbraw/zinc/86/26/60/438862660.db2.gz UQIAPOUNEAWAHJ-CQSZACIVSA-N 1 1 327.450 0.664 20 30 ECEDMO C=CCn1c(COC)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000589247861 438864116 /nfs/dbraw/zinc/86/41/16/438864116.db2.gz FRDNQGHGHSIKNY-HNNXBMFYSA-N 1 1 334.468 0.827 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@@H+](CCN1CCOCC1)CC1CC1)C1CC1 ZINC000595808145 438865278 /nfs/dbraw/zinc/86/52/78/438865278.db2.gz LMCZSQBOCYNOFL-SFHVURJKSA-N 1 1 334.464 0.839 20 30 ECEDMO COc1cc(CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)ccc1C#N ZINC000458799250 438919068 /nfs/dbraw/zinc/91/90/68/438919068.db2.gz ZOVULAJSBGWHMR-CYBMUJFWSA-N 1 1 332.404 0.775 20 30 ECEDMO COc1cc(CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)ccc1C#N ZINC000458799250 438919074 /nfs/dbraw/zinc/91/90/74/438919074.db2.gz ZOVULAJSBGWHMR-CYBMUJFWSA-N 1 1 332.404 0.775 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3CCO)CC2)o1 ZINC000516700899 438923294 /nfs/dbraw/zinc/92/32/94/438923294.db2.gz SGQSRYLJHMQTTI-CQSZACIVSA-N 1 1 347.419 0.350 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(CCC#N)CC3)C2)CC1 ZINC000601574193 438933722 /nfs/dbraw/zinc/93/37/22/438933722.db2.gz JCLHCIGWGDLUGQ-INIZCTEOSA-N 1 1 348.495 0.396 20 30 ECEDMO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(CCC#N)CC3)C2)CC1 ZINC000601574193 438933724 /nfs/dbraw/zinc/93/37/24/438933724.db2.gz JCLHCIGWGDLUGQ-INIZCTEOSA-N 1 1 348.495 0.396 20 30 ECEDMO CNC(=O)NC(=O)CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000591026052 438976981 /nfs/dbraw/zinc/97/69/81/438976981.db2.gz ZJIBIOACOOANSU-HNNXBMFYSA-N 1 1 347.394 0.854 20 30 ECEDMO Cn1cc(C#N)c(=O)n(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1=O ZINC000601957107 438994189 /nfs/dbraw/zinc/99/41/89/438994189.db2.gz TYQUVXKRTYRBFH-SFHVURJKSA-N 1 1 340.383 0.056 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000602119973 439015705 /nfs/dbraw/zinc/01/57/05/439015705.db2.gz PYCKUMNCYCGQBU-KGLIPLIRSA-N 1 1 328.420 0.727 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ncc(C#N)cc1Cl ZINC000602195279 439036615 /nfs/dbraw/zinc/03/66/15/439036615.db2.gz PRMNOFQJYYDKKA-UHFFFAOYSA-N 1 1 335.795 0.453 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(CCC#N)CC2)C1 ZINC000602224892 439041639 /nfs/dbraw/zinc/04/16/39/439041639.db2.gz AUFXWAVGAGVGHH-MRXNPFEDSA-N 1 1 337.468 0.584 20 30 ECEDMO C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(CCC#N)CC1 ZINC000602332612 439067789 /nfs/dbraw/zinc/06/77/89/439067789.db2.gz GTQIOMWIOCERDQ-INIZCTEOSA-N 1 1 338.500 0.499 20 30 ECEDMO C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(CCC#N)CC1 ZINC000602332612 439067794 /nfs/dbraw/zinc/06/77/94/439067794.db2.gz GTQIOMWIOCERDQ-INIZCTEOSA-N 1 1 338.500 0.499 20 30 ECEDMO CN(CC#CC[N@H+](C)[C@H]1CCC(=O)N(C)C1)[C@H]1CCC(=O)N(C)C1 ZINC000580212898 439074404 /nfs/dbraw/zinc/07/44/04/439074404.db2.gz ADVQZRHXIXAUJA-HOTGVXAUSA-N 1 1 334.464 0.095 20 30 ECEDMO CN(CC#CC[N@@H+](C)[C@H]1CCC(=O)N(C)C1)[C@H]1CCC(=O)N(C)C1 ZINC000580212898 439074411 /nfs/dbraw/zinc/07/44/11/439074411.db2.gz ADVQZRHXIXAUJA-HOTGVXAUSA-N 1 1 334.464 0.095 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)nn1 ZINC000566674868 439080991 /nfs/dbraw/zinc/08/09/91/439080991.db2.gz PULFMGRUIUHUOG-CYBMUJFWSA-N 1 1 336.440 0.451 20 30 ECEDMO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149476 439167732 /nfs/dbraw/zinc/16/77/32/439167732.db2.gz PQTUHFIWEYAPAK-CRAIPNDOSA-N 1 1 343.431 0.469 20 30 ECEDMO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149476 439167736 /nfs/dbraw/zinc/16/77/36/439167736.db2.gz PQTUHFIWEYAPAK-CRAIPNDOSA-N 1 1 343.431 0.469 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)N1CC#N ZINC000602854607 439144211 /nfs/dbraw/zinc/14/42/11/439144211.db2.gz CYAFLDNQWBHYPK-OKILXGFUSA-N 1 1 333.436 0.769 20 30 ECEDMO C[C@@H]1C[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)N1CC#N ZINC000602854607 439144214 /nfs/dbraw/zinc/14/42/14/439144214.db2.gz CYAFLDNQWBHYPK-OKILXGFUSA-N 1 1 333.436 0.769 20 30 ECEDMO N#CCNC(=O)CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000597651733 439150993 /nfs/dbraw/zinc/15/09/93/439150993.db2.gz SEXFWPBKHDZPEM-MRXNPFEDSA-N 1 1 328.416 0.697 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000592210030 439185460 /nfs/dbraw/zinc/18/54/60/439185460.db2.gz UITULSJYCBOHCO-BZUAXINKSA-N 1 1 348.399 0.348 20 30 ECEDMO CCCN(C(=O)C(=O)NC1CCN(CC#N)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000592335466 439206357 /nfs/dbraw/zinc/20/63/57/439206357.db2.gz VSRNMSQPBYCZSU-HNNXBMFYSA-N 1 1 335.452 0.033 20 30 ECEDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489584145 439233462 /nfs/dbraw/zinc/23/34/62/439233462.db2.gz KOXWCVFTFPYESZ-UHFFFAOYSA-N 1 1 326.422 0.508 20 30 ECEDMO CCN1C(=O)[C@@H]2C[N@H+](Cc3cnc4c(C#N)cnn4c3)CCN2C1=O ZINC000592505526 439243589 /nfs/dbraw/zinc/24/35/89/439243589.db2.gz YKFFKRJPQOOZOM-ZDUSSCGKSA-N 1 1 339.359 0.069 20 30 ECEDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cnc4c(C#N)cnn4c3)CCN2C1=O ZINC000592505526 439243598 /nfs/dbraw/zinc/24/35/98/439243598.db2.gz YKFFKRJPQOOZOM-ZDUSSCGKSA-N 1 1 339.359 0.069 20 30 ECEDMO COCCOCc1cc(C#N)ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000603403617 439255887 /nfs/dbraw/zinc/25/58/87/439255887.db2.gz JVPBLNBJCZGRRS-QGZVFWFLSA-N 1 1 331.416 0.976 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)n(CCC#N)n1 ZINC000527149803 439257716 /nfs/dbraw/zinc/25/77/16/439257716.db2.gz OMNKKJBJMRQOSJ-STQMWFEESA-N 1 1 332.408 0.595 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)n(CCC#N)n1 ZINC000527149803 439257721 /nfs/dbraw/zinc/25/77/21/439257721.db2.gz OMNKKJBJMRQOSJ-STQMWFEESA-N 1 1 332.408 0.595 20 30 ECEDMO C[C@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCN1c1nccn2cnnc12 ZINC000598597761 439284769 /nfs/dbraw/zinc/28/47/69/439284769.db2.gz HQSMRHDMHXGBKU-KBPBESRZSA-N 1 1 343.435 0.936 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000490925821 439313169 /nfs/dbraw/zinc/31/31/69/439313169.db2.gz YKBFZXPNPBNSAV-VHDGCEQUSA-N 1 1 339.461 0.301 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000490925821 439313171 /nfs/dbraw/zinc/31/31/71/439313171.db2.gz YKBFZXPNPBNSAV-VHDGCEQUSA-N 1 1 339.461 0.301 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 ZINC000490923187 439314231 /nfs/dbraw/zinc/31/42/31/439314231.db2.gz IYQOQTLGVYJJPY-KGLIPLIRSA-N 1 1 329.466 0.549 20 30 ECEDMO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000593034048 439332856 /nfs/dbraw/zinc/33/28/56/439332856.db2.gz CBANPXWZMMPWDS-MRXNPFEDSA-N 1 1 335.429 0.978 20 30 ECEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000593034048 439332862 /nfs/dbraw/zinc/33/28/62/439332862.db2.gz CBANPXWZMMPWDS-MRXNPFEDSA-N 1 1 335.429 0.978 20 30 ECEDMO CC(C)NS(=O)(=O)N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598616917 439288602 /nfs/dbraw/zinc/28/86/02/439288602.db2.gz DIDMORHJAUGNOG-ZDUSSCGKSA-N 1 1 332.470 0.148 20 30 ECEDMO CN(C[C@@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1)S(C)(=O)=O ZINC000598617812 439289293 /nfs/dbraw/zinc/28/92/93/439289293.db2.gz VVMFTUMDQOMOJY-UONOGXRCSA-N 1 1 331.482 0.891 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000490740221 439293833 /nfs/dbraw/zinc/29/38/33/439293833.db2.gz JQBNKQKZEQUBQR-UHFFFAOYSA-N 1 1 332.492 0.572 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000491264909 439359825 /nfs/dbraw/zinc/35/98/25/439359825.db2.gz IRIHZTIDLBNFBR-UHFFFAOYSA-N 1 1 331.464 0.703 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)OCC ZINC000491295079 439361968 /nfs/dbraw/zinc/36/19/68/439361968.db2.gz FMUBXLONQBZQLI-CABCVRRESA-N 1 1 339.436 0.694 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000491295284 439362301 /nfs/dbraw/zinc/36/23/01/439362301.db2.gz GIXJDBMZGDUIBY-RCCFBDPRSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000491165868 439341890 /nfs/dbraw/zinc/34/18/90/439341890.db2.gz NRXASNYEGAMLBR-ZDUSSCGKSA-N 1 1 328.376 0.564 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000491165868 439341898 /nfs/dbraw/zinc/34/18/98/439341898.db2.gz NRXASNYEGAMLBR-ZDUSSCGKSA-N 1 1 328.376 0.564 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000528517187 439344464 /nfs/dbraw/zinc/34/44/64/439344464.db2.gz CXTYDVBNYKWYKP-SFHVURJKSA-N 1 1 328.368 0.105 20 30 ECEDMO C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CC2)CCN1C(=O)c1cnn(C)c1 ZINC000528515127 439345715 /nfs/dbraw/zinc/34/57/15/439345715.db2.gz DZHHJPNTBUTYJJ-ZFWWWQNUSA-N 1 1 331.420 0.621 20 30 ECEDMO C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CC2)CCN1C(=O)c1cnn(C)c1 ZINC000528515127 439345720 /nfs/dbraw/zinc/34/57/20/439345720.db2.gz DZHHJPNTBUTYJJ-ZFWWWQNUSA-N 1 1 331.420 0.621 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000491202297 439347402 /nfs/dbraw/zinc/34/74/02/439347402.db2.gz NKGNUUCVBHIHLZ-IAGOWNOFSA-N 1 1 348.491 0.248 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000491253110 439357346 /nfs/dbraw/zinc/35/73/46/439357346.db2.gz LWLBAGBYRNXJTB-UHFFFAOYSA-N 1 1 327.384 0.825 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1c(C)nn(C)c1-n1cc(C)cn1 ZINC000491264074 439357841 /nfs/dbraw/zinc/35/78/41/439357841.db2.gz DWUFAQIVJRXZRQ-UHFFFAOYSA-N 1 1 328.420 0.908 20 30 ECEDMO COc1cc(C#N)ccc1C[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528733771 439366318 /nfs/dbraw/zinc/36/63/18/439366318.db2.gz HKYHDCKUEMGDSD-UHFFFAOYSA-N 1 1 344.415 0.737 20 30 ECEDMO COc1cc(C#N)ccc1C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528733771 439366321 /nfs/dbraw/zinc/36/63/21/439366321.db2.gz HKYHDCKUEMGDSD-UHFFFAOYSA-N 1 1 344.415 0.737 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000491352295 439370317 /nfs/dbraw/zinc/37/03/17/439370317.db2.gz YZQIVHLYMFVLEC-UHFFFAOYSA-N 1 1 333.392 0.737 20 30 ECEDMO C#C[C@@H]1COCCN1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000491370992 439372732 /nfs/dbraw/zinc/37/27/32/439372732.db2.gz CCOQRUKGBRGROT-QZTJIDSGSA-N 1 1 343.427 0.797 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000491373823 439374662 /nfs/dbraw/zinc/37/46/62/439374662.db2.gz OVMZQGKZVVIAEY-CQSZACIVSA-N 1 1 348.451 0.980 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000491454402 439386449 /nfs/dbraw/zinc/38/64/49/439386449.db2.gz YNOAVYIGXCAHQZ-GVDBMIGSSA-N 1 1 334.464 0.888 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000491616932 439412581 /nfs/dbraw/zinc/41/25/81/439412581.db2.gz ARVCQTACPBDZFD-UHFFFAOYSA-N 1 1 328.416 0.970 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C ZINC000491811432 439455293 /nfs/dbraw/zinc/45/52/93/439455293.db2.gz LKUPICSTWFGMLL-YOEHRIQHSA-N 1 1 345.447 0.319 20 30 ECEDMO C#CCN1C(=O)C[C@@H](N2CCC(CCC[N@@H+](C)CCOC)CC2)C1=O ZINC000491637049 439417231 /nfs/dbraw/zinc/41/72/31/439417231.db2.gz UIQSPZOASVVTOC-QGZVFWFLSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCN1C(=O)C[C@@H](N2CCC(CCC[N@H+](C)CCOC)CC2)C1=O ZINC000491637049 439417236 /nfs/dbraw/zinc/41/72/36/439417236.db2.gz UIQSPZOASVVTOC-QGZVFWFLSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC000491663492 439421826 /nfs/dbraw/zinc/42/18/26/439421826.db2.gz MZMBSUKJWNHQCP-UHFFFAOYSA-N 1 1 336.413 0.885 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000491707277 439433697 /nfs/dbraw/zinc/43/36/97/439433697.db2.gz RZSABVPNPGDJRF-LJQANCHMSA-N 1 1 342.443 0.780 20 30 ECEDMO C#C[C@H](C)[N@H+](C)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000491741441 439440516 /nfs/dbraw/zinc/44/05/16/439440516.db2.gz ILZJZSGNHBFIFS-HNNXBMFYSA-N 1 1 343.427 0.729 20 30 ECEDMO C#C[C@H](C)[N@@H+](C)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000491741441 439440521 /nfs/dbraw/zinc/44/05/21/439440521.db2.gz ILZJZSGNHBFIFS-HNNXBMFYSA-N 1 1 343.427 0.729 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCOC[C@H]1OCCOC ZINC000491764212 439444641 /nfs/dbraw/zinc/44/46/41/439444641.db2.gz BYTDFCBBXUMYDU-LSDHHAIUSA-N 1 1 327.425 0.061 20 30 ECEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)CCOCC1 ZINC000599363853 439446266 /nfs/dbraw/zinc/44/62/66/439446266.db2.gz GKOGJXBSVXSJID-LSDHHAIUSA-N 1 1 336.436 0.594 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCSC[C@H](C(=O)OC)C1 ZINC000491770007 439446354 /nfs/dbraw/zinc/44/63/54/439446354.db2.gz NIBHIAXFTKVDKJ-CYBMUJFWSA-N 1 1 327.450 0.489 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000491787177 439451642 /nfs/dbraw/zinc/45/16/42/439451642.db2.gz VDIDSMPXYUSBGC-UHFFFAOYSA-N 1 1 329.466 0.550 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000491787177 439451648 /nfs/dbraw/zinc/45/16/48/439451648.db2.gz VDIDSMPXYUSBGC-UHFFFAOYSA-N 1 1 329.466 0.550 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)n(CCC#N)n1 ZINC000533455288 439524884 /nfs/dbraw/zinc/52/48/84/439524884.db2.gz YCOQIWVTEMTVDW-UHFFFAOYSA-N 1 1 346.435 0.986 20 30 ECEDMO C[N@@H+]1CCN(c2cc(C#N)ncn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000492392697 439532939 /nfs/dbraw/zinc/53/29/39/439532939.db2.gz UWUSTUGNXYXQNE-CYBMUJFWSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2cc(C#N)ncn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000492392697 439532943 /nfs/dbraw/zinc/53/29/43/439532943.db2.gz UWUSTUGNXYXQNE-CYBMUJFWSA-N 1 1 332.408 0.993 20 30 ECEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000571880230 439539384 /nfs/dbraw/zinc/53/93/84/439539384.db2.gz AQOZBZULNIFBAW-INIZCTEOSA-N 1 1 328.416 0.921 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000572195509 439562533 /nfs/dbraw/zinc/56/25/33/439562533.db2.gz VUYWBVBQLXLNFZ-KBXCAEBGSA-N 1 1 338.367 0.402 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000572195509 439562537 /nfs/dbraw/zinc/56/25/37/439562537.db2.gz VUYWBVBQLXLNFZ-KBXCAEBGSA-N 1 1 338.367 0.402 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCCC1 ZINC000594477645 439568070 /nfs/dbraw/zinc/56/80/70/439568070.db2.gz HVNDBGWBFSNBFO-UONOGXRCSA-N 1 1 327.450 0.541 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000572834758 439611848 /nfs/dbraw/zinc/61/18/48/439611848.db2.gz ZCPDLPREQLSNIU-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000610421414 439613601 /nfs/dbraw/zinc/61/36/01/439613601.db2.gz XGCACIUMSNNRPY-SJORKVTESA-N 1 1 346.406 0.865 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000610421414 439613605 /nfs/dbraw/zinc/61/36/05/439613605.db2.gz XGCACIUMSNNRPY-SJORKVTESA-N 1 1 346.406 0.865 20 30 ECEDMO COC[C@H]1CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000610615716 439631760 /nfs/dbraw/zinc/63/17/60/439631760.db2.gz HLYQFTQMTPQEOE-CQSZACIVSA-N 1 1 347.419 0.614 20 30 ECEDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cn2cnc(C#N)n2)C[C@@H](C)O1 ZINC000610881957 439652772 /nfs/dbraw/zinc/65/27/72/439652772.db2.gz CGIOIUCGHZBDCX-MCIONIFRSA-N 1 1 332.408 0.250 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000587728058 439669421 /nfs/dbraw/zinc/66/94/21/439669421.db2.gz FRKNSEHKWURKOC-BBRMVZONSA-N 1 1 344.415 0.572 20 30 ECEDMO C[C@]1(C#N)CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000612136916 439678218 /nfs/dbraw/zinc/67/82/18/439678218.db2.gz UYHZYQALBGGKLB-FUHWJXTLSA-N 1 1 349.479 0.728 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000613911279 439765849 /nfs/dbraw/zinc/76/58/49/439765849.db2.gz JNOWITUPKCJZIQ-HNNXBMFYSA-N 1 1 333.436 0.976 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+][C@](C)(CC(=O)OC)c1ccncc1 ZINC000595482837 439732799 /nfs/dbraw/zinc/73/27/99/439732799.db2.gz KHZXBOHKUDIGHU-MRXNPFEDSA-N 1 1 334.376 0.461 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000595500497 439734802 /nfs/dbraw/zinc/73/48/02/439734802.db2.gz RQHNQVDSEBSWDN-JSGCOSHPSA-N 1 1 349.435 0.614 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[C@@](F)(C#N)C2)CC1 ZINC000615542905 439801927 /nfs/dbraw/zinc/80/19/27/439801927.db2.gz IVHFZPIWUUDFHM-GOEBONIOSA-N 1 1 325.432 0.907 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000646952140 439943961 /nfs/dbraw/zinc/94/39/61/439943961.db2.gz ZXMKOYXKLDFINW-LBPRGKRZSA-N 1 1 327.344 0.096 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000658812180 440130854 /nfs/dbraw/zinc/13/08/54/440130854.db2.gz YMSBAYAGLYRSFZ-OAHLLOKOSA-N 1 1 337.464 0.716 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000658812180 440130859 /nfs/dbraw/zinc/13/08/59/440130859.db2.gz YMSBAYAGLYRSFZ-OAHLLOKOSA-N 1 1 337.464 0.716 20 30 ECEDMO C=CCN(C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H](C)COC ZINC000664062068 440226437 /nfs/dbraw/zinc/22/64/37/440226437.db2.gz LWDGMSVPZYLUQT-AWEZNQCLSA-N 1 1 340.468 0.772 20 30 ECEDMO C=CCOc1cccc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000654907024 440432086 /nfs/dbraw/zinc/43/20/86/440432086.db2.gz LRYODYMYSOFJQT-LSDHHAIUSA-N 1 1 345.399 0.467 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000645424109 440802511 /nfs/dbraw/zinc/80/25/11/440802511.db2.gz PVXZETHZDFEGMA-ZWKOTPCHSA-N 1 1 345.443 0.827 20 30 ECEDMO C=CC[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@H](C)COC ZINC000661241295 440819874 /nfs/dbraw/zinc/81/98/74/440819874.db2.gz VGWLPJPPKBABSL-OAHLLOKOSA-N 1 1 333.436 0.648 20 30 ECEDMO C=CC[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@H](C)COC ZINC000661241295 440819878 /nfs/dbraw/zinc/81/98/78/440819878.db2.gz VGWLPJPPKBABSL-OAHLLOKOSA-N 1 1 333.436 0.648 20 30 ECEDMO C=C[C@H](CO)NC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662110691 440971503 /nfs/dbraw/zinc/97/15/03/440971503.db2.gz BEYFIKSKCJGQRH-SJORKVTESA-N 1 1 332.448 0.649 20 30 ECEDMO C=C[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662110691 440971511 /nfs/dbraw/zinc/97/15/11/440971511.db2.gz BEYFIKSKCJGQRH-SJORKVTESA-N 1 1 332.448 0.649 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001041736512 782085488 /nfs/dbraw/zinc/08/54/88/782085488.db2.gz STAJKMZUADGRLO-ZBFHGGJFSA-N 1 1 341.477 0.521 20 30 ECEDMO N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000546605193 322118529 /nfs/dbraw/zinc/11/85/29/322118529.db2.gz SWIDGWUJMZVXJS-HNNXBMFYSA-N 1 1 337.387 0.467 20 30 ECEDMO N#Cc1ccc(OCC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000573574531 322764130 /nfs/dbraw/zinc/76/41/30/322764130.db2.gz NQTNMUDBDNTTPW-HNNXBMFYSA-N 1 1 342.399 0.360 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001077995954 782100707 /nfs/dbraw/zinc/10/07/07/782100707.db2.gz ZPDCFAZGFLPCLZ-CHWSQXEVSA-N 1 1 331.376 0.176 20 30 ECEDMO CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330218885 546041582 /nfs/dbraw/zinc/04/15/82/546041582.db2.gz JTPHTYMZXMYXQT-OAHLLOKOSA-N 1 1 336.436 0.651 20 30 ECEDMO CNC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619532206 546339032 /nfs/dbraw/zinc/33/90/32/546339032.db2.gz RBXOTZKFSYRAKU-MAUKXSAKSA-N 1 1 331.416 0.950 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000619622647 546349313 /nfs/dbraw/zinc/34/93/13/546349313.db2.gz SUYODVCQOKVZJN-DJIMGWMZSA-N 1 1 329.400 0.703 20 30 ECEDMO COCC[NH+](CC#CCN1C(=O)c2ccccc2C1=O)CCOC ZINC000625053813 547013474 /nfs/dbraw/zinc/01/34/74/547013474.db2.gz TUOASBZYIRIRIR-UHFFFAOYSA-N 1 1 330.384 0.881 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000625695756 547203413 /nfs/dbraw/zinc/20/34/13/547203413.db2.gz FXSXFBXYADNNFR-OAHLLOKOSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@@H](O)C(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000667834325 547561169 /nfs/dbraw/zinc/56/11/69/547561169.db2.gz QURYLPPZYWGJEY-OAHLLOKOSA-N 1 1 330.388 0.923 20 30 ECEDMO C=C[C@@H](O)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000667834325 547561173 /nfs/dbraw/zinc/56/11/73/547561173.db2.gz QURYLPPZYWGJEY-OAHLLOKOSA-N 1 1 330.388 0.923 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000668651767 547712819 /nfs/dbraw/zinc/71/28/19/547712819.db2.gz MIIZLGSCDOFPGF-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000680447045 549169318 /nfs/dbraw/zinc/16/93/18/549169318.db2.gz OKQDKRKPACHZTC-AWEZNQCLSA-N 1 1 348.403 0.178 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cn1 ZINC001078032458 782180015 /nfs/dbraw/zinc/18/00/15/782180015.db2.gz PLGNDDADNGPUAK-RTBURBONSA-N 1 1 346.390 0.910 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cn1 ZINC001078032458 782180019 /nfs/dbraw/zinc/18/00/19/782180019.db2.gz PLGNDDADNGPUAK-RTBURBONSA-N 1 1 346.390 0.910 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC001041778048 782184636 /nfs/dbraw/zinc/18/46/36/782184636.db2.gz SSOSUASYLBEMHG-WMLDXEAASA-N 1 1 331.420 0.964 20 30 ECEDMO N#Cc1ccc(CN2CCN(C(=O)CC[NH+]3CCOCC3)CC2)cc1 ZINC000750852406 579359547 /nfs/dbraw/zinc/35/95/47/579359547.db2.gz JSFLEOKYZKOENA-UHFFFAOYSA-N 1 1 342.443 0.925 20 30 ECEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000752157364 579381529 /nfs/dbraw/zinc/38/15/29/579381529.db2.gz MLYLIVIMLHUNSA-MRVPVSSYSA-N 1 1 327.366 0.592 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000754195333 579414281 /nfs/dbraw/zinc/41/42/81/579414281.db2.gz MDUAFGONTZNVAM-CQSZACIVSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000754195333 579414282 /nfs/dbraw/zinc/41/42/82/579414282.db2.gz MDUAFGONTZNVAM-CQSZACIVSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000731129103 578310617 /nfs/dbraw/zinc/31/06/17/578310617.db2.gz HERPEKKQLQFTKJ-UHFFFAOYSA-N 1 1 326.356 0.958 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCN1C1CC1 ZINC000732677384 578328726 /nfs/dbraw/zinc/32/87/26/578328726.db2.gz MCQYSNGPVXXSGU-OAGGEKHMSA-N 1 1 333.436 0.231 20 30 ECEDMO C[NH+]1CCN(CCCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000732676920 578328731 /nfs/dbraw/zinc/32/87/31/578328731.db2.gz PMEBHWCZUGDWGQ-KRWDZBQOSA-N 1 1 348.495 0.396 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000734364772 578357302 /nfs/dbraw/zinc/35/73/02/578357302.db2.gz FFSMHYLPHQHKIN-LBPRGKRZSA-N 1 1 348.476 0.490 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)nc1 ZINC000734466802 578360535 /nfs/dbraw/zinc/36/05/35/578360535.db2.gz NCYVZUWJTVFOJW-MRXNPFEDSA-N 1 1 328.416 0.199 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000736652980 578443692 /nfs/dbraw/zinc/44/36/92/578443692.db2.gz HICFYTCALPZUDB-CQSZACIVSA-N 1 1 332.408 0.385 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000793914864 578566287 /nfs/dbraw/zinc/56/62/87/578566287.db2.gz VQWSRQYDBOSBQJ-OWCLPIDISA-N 1 1 349.475 0.910 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1(C)C ZINC000799742686 578669531 /nfs/dbraw/zinc/66/95/31/578669531.db2.gz FZHOIQSLJVJPQH-INIZCTEOSA-N 1 1 330.432 0.734 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000780855469 578701349 /nfs/dbraw/zinc/70/13/49/578701349.db2.gz KZNPZLYLKLBXRA-SJORKVTESA-N 1 1 329.400 0.915 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780939199 578703316 /nfs/dbraw/zinc/70/33/16/578703316.db2.gz HZPIGQVSAKBQLH-YJBOKZPZSA-N 1 1 344.459 0.981 20 30 ECEDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780954374 578703582 /nfs/dbraw/zinc/70/35/82/578703582.db2.gz DPAULDNODSEKRN-GUYCJALGSA-N 1 1 345.399 0.687 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000781014051 578704462 /nfs/dbraw/zinc/70/44/62/578704462.db2.gz OVDRRPFMJWYEBJ-SUMWQHHRSA-N 1 1 345.399 0.687 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000781014051 578704463 /nfs/dbraw/zinc/70/44/63/578704463.db2.gz OVDRRPFMJWYEBJ-SUMWQHHRSA-N 1 1 345.399 0.687 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)CC(C)(C)C#N)C1 ZINC000785097715 578763334 /nfs/dbraw/zinc/76/33/34/578763334.db2.gz UVZGVXLPKNYKOD-CQSZACIVSA-N 1 1 339.436 0.942 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2c[nH]c(C#N)c2)C1 ZINC000786906197 578796922 /nfs/dbraw/zinc/79/69/22/578796922.db2.gz FUBFLTJQHSUJDI-HNNXBMFYSA-N 1 1 348.403 0.516 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000787663023 578812792 /nfs/dbraw/zinc/81/27/92/578812792.db2.gz AYMUHNPLNJGPKO-JTQLQIEISA-N 1 1 332.242 0.859 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCNc1ncccc1C#N ZINC000787756813 578815650 /nfs/dbraw/zinc/81/56/50/578815650.db2.gz RRZJMKRMGPLLNL-CQSZACIVSA-N 1 1 344.419 0.082 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 ZINC000787775304 578816901 /nfs/dbraw/zinc/81/69/01/578816901.db2.gz CTMQUTNLFZPTIY-UHFFFAOYSA-N 1 1 344.419 0.036 20 30 ECEDMO C[C@@H](C[NH+]1CCOCC1)N(C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000788379093 578835623 /nfs/dbraw/zinc/83/56/23/578835623.db2.gz TVJMUXBBSYJMEC-AWEZNQCLSA-N 1 1 330.432 0.819 20 30 ECEDMO C=CCN(C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)C(C)C ZINC000790188343 578869343 /nfs/dbraw/zinc/86/93/43/578869343.db2.gz DEJOGAXVFXEHKO-MRXNPFEDSA-N 1 1 338.496 0.799 20 30 ECEDMO S=C(NCCCN1CCOCC1)NN=C1CC[N@H+]2CCC[C@H]12 ZINC000765556403 579068868 /nfs/dbraw/zinc/06/88/68/579068868.db2.gz MMOKHUXPCLQHTA-CQSZACIVSA-N 1 1 325.482 0.397 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCc2ccccc2CC)CC1 ZINC000769772776 579151490 /nfs/dbraw/zinc/15/14/90/579151490.db2.gz XXBPHSBXEQRZSO-UHFFFAOYSA-N 1 1 335.473 0.877 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)[C@@H]1CCCO1 ZINC000775791593 579271416 /nfs/dbraw/zinc/27/14/16/579271416.db2.gz MXIHQMLFFGFELG-IRXDYDNUSA-N 1 1 331.416 0.694 20 30 ECEDMO C#C[C@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000776232974 579278380 /nfs/dbraw/zinc/27/83/80/579278380.db2.gz UUOCCRAZKSPHTD-DLBZAZTESA-N 1 1 336.480 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000779247353 579314613 /nfs/dbraw/zinc/31/46/13/579314613.db2.gz ZPQOCZPOOOAUOA-RYUDHWBXSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000779247353 579314614 /nfs/dbraw/zinc/31/46/14/579314614.db2.gz ZPQOCZPOOOAUOA-RYUDHWBXSA-N 1 1 331.338 0.611 20 30 ECEDMO C[C@@H]1C[NH+]=C(NN=Cc2c(N3CCOCC3)nc3ccccn32)N1 ZINC000779795462 579320864 /nfs/dbraw/zinc/32/08/64/579320864.db2.gz UCSQUBBFZKMGNO-GFCCVEGCSA-N 1 1 327.392 0.442 20 30 ECEDMO C[C@@H]1C[NH+]=C(NN=C2c3ccc(N4CCOCC4)cc3NC2=O)N1 ZINC000779793045 579320868 /nfs/dbraw/zinc/32/08/68/579320868.db2.gz QWTDUFAAOFQYAU-SNVBAGLBSA-N 1 1 328.376 0.117 20 30 ECEDMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000761045905 579520041 /nfs/dbraw/zinc/52/00/41/579520041.db2.gz AAOSQBFNHDVEFE-LBPRGKRZSA-N 1 1 334.351 0.877 20 30 ECEDMO COCC[N@H+]1CCC[C@@H](NC(=O)C#Cc2ccc3c(c2)OCO3)C1 ZINC000762205034 579538441 /nfs/dbraw/zinc/53/84/41/579538441.db2.gz ROWCVWNPCVBMEX-OAHLLOKOSA-N 1 1 330.384 0.994 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000763456766 579560571 /nfs/dbraw/zinc/56/05/71/579560571.db2.gz YQHBAMUOQBUOBG-HUUCEWRRSA-N 1 1 331.372 0.629 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000763456766 579560572 /nfs/dbraw/zinc/56/05/72/579560572.db2.gz YQHBAMUOQBUOBG-HUUCEWRRSA-N 1 1 331.372 0.629 20 30 ECEDMO CN(CC[NH+]1CCN(c2ccccc2)CC1)CC(=O)NCCC#N ZINC000738340589 579622267 /nfs/dbraw/zinc/62/22/67/579622267.db2.gz MHWVWOQKRSPGRI-UHFFFAOYSA-N 1 1 329.448 0.770 20 30 ECEDMO C#CCNC(=O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000741807058 579777987 /nfs/dbraw/zinc/77/79/87/579777987.db2.gz UGQZGVDTCVLUJB-UHFFFAOYSA-N 1 1 336.480 0.152 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000834458202 588901257 /nfs/dbraw/zinc/90/12/57/588901257.db2.gz XEHSNEJDUMAWJS-CQSZACIVSA-N 1 1 341.371 0.405 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000836490110 588931545 /nfs/dbraw/zinc/93/15/45/588931545.db2.gz HNIGXAXTVTVEKF-UHFFFAOYSA-N 1 1 328.416 1.000 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000842166816 589016311 /nfs/dbraw/zinc/01/63/11/589016311.db2.gz SPBWIPQHERMLPZ-HUUCEWRRSA-N 1 1 331.372 0.345 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000842166816 589016313 /nfs/dbraw/zinc/01/63/13/589016313.db2.gz SPBWIPQHERMLPZ-HUUCEWRRSA-N 1 1 331.372 0.345 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)N1CC[NH+](C)CC1 ZINC000891752763 586193760 /nfs/dbraw/zinc/19/37/60/586193760.db2.gz OMRQLCZDRGZRNV-RDJZCZTQSA-N 1 1 337.468 0.582 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)CC1 ZINC000895883660 586210614 /nfs/dbraw/zinc/21/06/14/586210614.db2.gz DELREZMJYPMSCC-HOTGVXAUSA-N 1 1 336.432 0.855 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCc2ccc(C)c(C)c2)CC1 ZINC000895919179 586212651 /nfs/dbraw/zinc/21/26/51/586212651.db2.gz RSJUJBSQRIKKBX-UHFFFAOYSA-N 1 1 335.473 0.931 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3(C#N)CCCCC3)CC2)CC1 ZINC000896235830 586230229 /nfs/dbraw/zinc/23/02/29/586230229.db2.gz HFBRJGDDJSFXNT-UHFFFAOYSA-N 1 1 347.463 0.972 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000896242042 586231144 /nfs/dbraw/zinc/23/11/44/586231144.db2.gz NPQSTZHFYRQLDZ-UHFFFAOYSA-N 1 1 341.415 0.683 20 30 ECEDMO CO[C@]1(C[NH2+]Cc2cc(C#N)cnc2Cl)CCS(=O)(=O)C1 ZINC000896681894 586266878 /nfs/dbraw/zinc/26/68/78/586266878.db2.gz HIOKKIOSNUQGHB-ZDUSSCGKSA-N 1 1 329.809 0.900 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)NCc2nc(C#N)cs2)CC[N@@H+](C)C1 ZINC000897272647 586291558 /nfs/dbraw/zinc/29/15/58/586291558.db2.gz BFXCVVYPZQZSGQ-SNVBAGLBSA-N 1 1 337.405 0.261 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)[C@@]2(C#N)CCCOC2)C1 ZINC000898250727 586409702 /nfs/dbraw/zinc/40/97/02/586409702.db2.gz XCBMTEOFCQMQNT-MRXNPFEDSA-N 1 1 325.409 0.112 20 30 ECEDMO C=CCN1C(=O)c2ccc(C(=O)NCC[N@@H+](C)CCO)cc2C1=O ZINC000899725551 586502435 /nfs/dbraw/zinc/50/24/35/586502435.db2.gz AANQBPOBDYNLSL-UHFFFAOYSA-N 1 1 331.372 0.123 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000843247948 589055908 /nfs/dbraw/zinc/05/59/08/589055908.db2.gz DKFWHLFIXCEMRH-IAGOWNOFSA-N 1 1 347.459 0.429 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000900318531 586536546 /nfs/dbraw/zinc/53/65/46/586536546.db2.gz YFBPGSNWDJJEFV-YOEHRIQHSA-N 1 1 329.404 0.057 20 30 ECEDMO CC(C)N1CC[NH+](CCC(=O)NCCNc2ncccc2C#N)CC1 ZINC000900367306 586627535 /nfs/dbraw/zinc/62/75/35/586627535.db2.gz NBTZXSSXVKCTKN-UHFFFAOYSA-N 1 1 344.463 0.897 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)C1 ZINC000900726961 586657001 /nfs/dbraw/zinc/65/70/01/586657001.db2.gz YMWYJILFWKVPSH-IBGZPJMESA-N 1 1 341.455 0.882 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000900717950 586658852 /nfs/dbraw/zinc/65/88/52/586658852.db2.gz HRZMUIXIKXDEQW-ZHALLVOQSA-N 1 1 342.443 0.678 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000867324590 589060801 /nfs/dbraw/zinc/06/08/01/589060801.db2.gz HQMJUDFVNVJONR-QGZVFWFLSA-N 1 1 345.443 0.956 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000867324590 589060803 /nfs/dbraw/zinc/06/08/03/589060803.db2.gz HQMJUDFVNVJONR-QGZVFWFLSA-N 1 1 345.443 0.956 20 30 ECEDMO C#CC[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000888294136 586760845 /nfs/dbraw/zinc/76/08/45/586760845.db2.gz RCQRJPSELIYMHS-IRXDYDNUSA-N 1 1 334.464 0.448 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000838622713 586818482 /nfs/dbraw/zinc/81/84/82/586818482.db2.gz YWRQYXZKLRVBGQ-HOCLYGCPSA-N 1 1 330.432 0.898 20 30 ECEDMO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000905428040 586893493 /nfs/dbraw/zinc/89/34/93/586893493.db2.gz QHBRKKONAZHMOU-LJQANCHMSA-N 1 1 345.491 0.734 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000906649563 586961580 /nfs/dbraw/zinc/96/15/80/586961580.db2.gz GBGKHVTZHRAGSD-PERWBAPNSA-N 1 1 334.420 0.751 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(C#N)cn2)CCCO1 ZINC000907155832 587021739 /nfs/dbraw/zinc/02/17/39/587021739.db2.gz NXSKEMOKTCXMME-CYBMUJFWSA-N 1 1 338.433 0.732 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806911201 587111151 /nfs/dbraw/zinc/11/11/51/587111151.db2.gz JMETZUFTONSIKE-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806911201 587111153 /nfs/dbraw/zinc/11/11/53/587111153.db2.gz JMETZUFTONSIKE-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO NS(=O)(=O)c1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)ccc1F ZINC000807979779 587140909 /nfs/dbraw/zinc/14/09/09/587140909.db2.gz XSJXDUBANYDFAU-TXEJJXNPSA-N 1 1 339.396 0.667 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)C2CC(C)(C)C2)c1=O ZINC000840164684 587172325 /nfs/dbraw/zinc/17/23/25/587172325.db2.gz TXCJVAVBPDXPDJ-UHFFFAOYSA-N 1 1 334.420 0.622 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)C2CC(C)(C)C2)c1=O ZINC000840164684 587172327 /nfs/dbraw/zinc/17/23/27/587172327.db2.gz TXCJVAVBPDXPDJ-UHFFFAOYSA-N 1 1 334.420 0.622 20 30 ECEDMO C=C[C@H](O)C(=O)OCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000814546834 587276667 /nfs/dbraw/zinc/27/66/67/587276667.db2.gz MCADBZACKWFJBL-INIZCTEOSA-N 1 1 332.400 0.729 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000815082927 587282370 /nfs/dbraw/zinc/28/23/70/587282370.db2.gz JAMQMBPPQKMTQR-UHFFFAOYSA-N 1 1 341.389 0.837 20 30 ECEDMO C[NH+]1CCN([C@@H](C(=O)N[C@@H]2CCN(O)C2=O)c2ccccc2)CC1 ZINC000816695410 587320377 /nfs/dbraw/zinc/32/03/77/587320377.db2.gz BOJGXEFWYVKLOW-HUUCEWRRSA-N 1 1 332.404 0.081 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000817839038 587388514 /nfs/dbraw/zinc/38/85/14/587388514.db2.gz GAODQKRBHSJVSA-SUMWQHHRSA-N 1 1 325.412 0.883 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000820059385 587506389 /nfs/dbraw/zinc/50/63/89/587506389.db2.gz CSSFCDRMNLCCOI-AWEZNQCLSA-N 1 1 339.436 0.430 20 30 ECEDMO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000821322275 587585284 /nfs/dbraw/zinc/58/52/84/587585284.db2.gz GAVNQOUFTZIQJG-CALCHBBNSA-N 1 1 326.400 0.585 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827704120 588136295 /nfs/dbraw/zinc/13/62/95/588136295.db2.gz BKGQGMPGHPITLN-KGLIPLIRSA-N 1 1 341.477 0.391 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000827707451 588136571 /nfs/dbraw/zinc/13/65/71/588136571.db2.gz PXHVFNZGTKQDQJ-BZUAXINKSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)CCN2CC3(C2)CCOCC3)CC1 ZINC000829279802 588320932 /nfs/dbraw/zinc/32/09/32/588320932.db2.gz BBPOOGLULBKMCG-UHFFFAOYSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCc2cccc(S(N)(=O)=O)c2)C1 ZINC000829582613 588331006 /nfs/dbraw/zinc/33/10/06/588331006.db2.gz NXZIMQIPRYVNSV-OAHLLOKOSA-N 1 1 349.456 0.480 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2cccc(S(N)(=O)=O)c2)C1 ZINC000829582613 588331008 /nfs/dbraw/zinc/33/10/08/588331008.db2.gz NXZIMQIPRYVNSV-OAHLLOKOSA-N 1 1 349.456 0.480 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000829773757 588341133 /nfs/dbraw/zinc/34/11/33/588341133.db2.gz SUWOUURNNCHYOV-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1 ZINC000845003960 589128086 /nfs/dbraw/zinc/12/80/86/589128086.db2.gz QJJJIBLHCWTOFL-SJORKVTESA-N 1 1 346.431 0.954 20 30 ECEDMO C#CCN(C(=O)NCCC[N@H+](C)CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000845309107 589142903 /nfs/dbraw/zinc/14/29/03/589142903.db2.gz BNZYDAKIYIGRAM-HNNXBMFYSA-N 1 1 343.493 0.796 20 30 ECEDMO CC(=O)C1CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000846947834 589230634 /nfs/dbraw/zinc/23/06/34/589230634.db2.gz ZGXIITYSRUPCTH-QGZVFWFLSA-N 1 1 334.464 0.980 20 30 ECEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 ZINC000847021469 589233309 /nfs/dbraw/zinc/23/33/09/589233309.db2.gz MEACOXSALQBXSN-CYBMUJFWSA-N 1 1 335.429 0.926 20 30 ECEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 ZINC000847021469 589233311 /nfs/dbraw/zinc/23/33/11/589233311.db2.gz MEACOXSALQBXSN-CYBMUJFWSA-N 1 1 335.429 0.926 20 30 ECEDMO Cc1[nH]nc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1C#N ZINC000849611811 589343425 /nfs/dbraw/zinc/34/34/25/589343425.db2.gz BOLVGRVRJRFTEP-GXTWGEPZSA-N 1 1 327.392 0.997 20 30 ECEDMO C#CCOCC[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000851820561 589426739 /nfs/dbraw/zinc/42/67/39/589426739.db2.gz BXGDHTMMFZMPTJ-UHFFFAOYSA-N 1 1 325.416 0.979 20 30 ECEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851871903 589430137 /nfs/dbraw/zinc/43/01/37/589430137.db2.gz VUESRHYQNHASTK-SJLPKXTDSA-N 1 1 330.432 0.525 20 30 ECEDMO C[C@]1(C#N)CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000852684063 589506432 /nfs/dbraw/zinc/50/64/32/589506432.db2.gz AGXVQSPOVTYFKG-MRXNPFEDSA-N 1 1 347.419 0.898 20 30 ECEDMO C[C@]1(C#N)CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000852684063 589506433 /nfs/dbraw/zinc/50/64/33/589506433.db2.gz AGXVQSPOVTYFKG-MRXNPFEDSA-N 1 1 347.419 0.898 20 30 ECEDMO N#Cc1cccc(CN2CCC(NC(=O)C3=NO[C@H](C[NH3+])C3)CC2)c1 ZINC000852896521 589523161 /nfs/dbraw/zinc/52/31/61/589523161.db2.gz CQNZGXPVVHOZID-INIZCTEOSA-N 1 1 341.415 0.742 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000853713406 589556375 /nfs/dbraw/zinc/55/63/75/589556375.db2.gz QNTGAESASGVDBV-VCHHOEMESA-N 1 1 349.435 0.685 20 30 ECEDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000854643897 589597629 /nfs/dbraw/zinc/59/76/29/589597629.db2.gz ZWRFMMDGSIUKBL-ZACQAIPSSA-N 1 1 329.400 0.913 20 30 ECEDMO COc1cc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)ccc1C#N ZINC000854644092 589597686 /nfs/dbraw/zinc/59/76/86/589597686.db2.gz DXVVENCJQURPLW-UHFFFAOYSA-N 1 1 328.416 0.886 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2ccnn2C)CC1 ZINC000856800433 589676011 /nfs/dbraw/zinc/67/60/11/589676011.db2.gz DJZWJZTXPFDDMI-DOMZBBRYSA-N 1 1 349.435 0.566 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000858236187 589733784 /nfs/dbraw/zinc/73/37/84/589733784.db2.gz DBDQVTVLMVKRNM-AWEZNQCLSA-N 1 1 338.452 0.267 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)Cc2ccc(C#N)nc2)CC1 ZINC000860248753 589754919 /nfs/dbraw/zinc/75/49/19/589754919.db2.gz NFDJSTHPBOAYHF-CYBMUJFWSA-N 1 1 330.388 0.592 20 30 ECEDMO C[N@H+](CC(=O)NCc1ccco1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859064585 589797452 /nfs/dbraw/zinc/79/74/52/589797452.db2.gz PYFMWQLMEFSWLE-AWEZNQCLSA-N 1 1 335.404 0.899 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000859217857 589808467 /nfs/dbraw/zinc/80/84/67/589808467.db2.gz HQABQMJRDLNQIQ-CABCVRRESA-N 1 1 331.372 0.824 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000859217857 589808470 /nfs/dbraw/zinc/80/84/70/589808470.db2.gz HQABQMJRDLNQIQ-CABCVRRESA-N 1 1 331.372 0.824 20 30 ECEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)CCOCC1 ZINC000859318793 589820829 /nfs/dbraw/zinc/82/08/29/589820829.db2.gz JKXDQJNMBCQAAF-CABCVRRESA-N 1 1 337.420 0.832 20 30 ECEDMO C#CCOCCC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000121785884 589831872 /nfs/dbraw/zinc/83/18/72/589831872.db2.gz UAVQLKUDOJKFNF-UHFFFAOYSA-N 1 1 343.427 0.982 20 30 ECEDMO N#Cc1cccc(OCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000862647190 589953807 /nfs/dbraw/zinc/95/38/07/589953807.db2.gz DKLUGSFZRJNFGA-HNNXBMFYSA-N 1 1 330.388 0.393 20 30 ECEDMO C=C(Cl)C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)OCC ZINC000870029653 589990491 /nfs/dbraw/zinc/99/04/91/589990491.db2.gz VCRARUJMBYRRJX-STQMWFEESA-N 1 1 329.828 0.567 20 30 ECEDMO COc1ccc([C@H]2CN(C(=O)Cn3cnc(C#N)n3)CC[NH2+]2)cc1 ZINC000870142933 590002734 /nfs/dbraw/zinc/00/27/34/590002734.db2.gz PCMMUHFSWNQZIU-CQSZACIVSA-N 1 1 326.360 0.331 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N(CCN(C)C)CC[NH+](C)C ZINC000872446257 590117472 /nfs/dbraw/zinc/11/74/72/590117472.db2.gz BBMDNEZEYQXOAN-UHFFFAOYSA-N 1 1 338.477 0.981 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1 ZINC000872617344 590134157 /nfs/dbraw/zinc/13/41/57/590134157.db2.gz MWNXYURARPFPGE-UONOGXRCSA-N 1 1 339.392 0.527 20 30 ECEDMO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)cc1C#N ZINC000873859141 590206474 /nfs/dbraw/zinc/20/64/74/590206474.db2.gz ARDXLGHRCKTGGB-UHFFFAOYSA-N 1 1 328.372 0.883 20 30 ECEDMO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)cc1C#N ZINC000873859141 590206476 /nfs/dbraw/zinc/20/64/76/590206476.db2.gz ARDXLGHRCKTGGB-UHFFFAOYSA-N 1 1 328.372 0.883 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1C#N ZINC000874174451 590224200 /nfs/dbraw/zinc/22/42/00/590224200.db2.gz KSMWCUQGQTUGGP-KBPBESRZSA-N 1 1 327.388 0.753 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000874989436 590261073 /nfs/dbraw/zinc/26/10/73/590261073.db2.gz GDNVYZIZJYQDNI-KBPBESRZSA-N 1 1 335.404 0.543 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879718243 590337324 /nfs/dbraw/zinc/33/73/24/590337324.db2.gz FANLXNMGSIKOFA-RDJZCZTQSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879718243 590337325 /nfs/dbraw/zinc/33/73/25/590337325.db2.gz FANLXNMGSIKOFA-RDJZCZTQSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]3OCCNC(=O)[C@H]32)c1 ZINC000879719288 590337682 /nfs/dbraw/zinc/33/76/82/590337682.db2.gz MUTYQTLMTRNEFM-WBVHZDCISA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]3OCCNC(=O)[C@H]32)c1 ZINC000879719288 590337684 /nfs/dbraw/zinc/33/76/84/590337684.db2.gz MUTYQTLMTRNEFM-WBVHZDCISA-N 1 1 342.399 0.866 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879974171 590357207 /nfs/dbraw/zinc/35/72/07/590357207.db2.gz IRILKRDHWAMZFX-ZJIFWQFVSA-N 1 1 337.464 0.809 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)N[C@H](C(=O)NC)c2ccccc2)CC1 ZINC000880480454 590394945 /nfs/dbraw/zinc/39/49/45/590394945.db2.gz UEGQKIRDXFPCKX-KRWDZBQOSA-N 1 1 343.427 0.440 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880502052 590398489 /nfs/dbraw/zinc/39/84/89/590398489.db2.gz NYBPMVVOYIQZKB-LJQANCHMSA-N 1 1 341.411 0.239 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880502052 590398491 /nfs/dbraw/zinc/39/84/91/590398491.db2.gz NYBPMVVOYIQZKB-LJQANCHMSA-N 1 1 341.411 0.239 20 30 ECEDMO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880581582 590408218 /nfs/dbraw/zinc/40/82/18/590408218.db2.gz FDIVPFYMGCZIIA-CVEARBPZSA-N 1 1 329.400 0.948 20 30 ECEDMO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880581582 590408221 /nfs/dbraw/zinc/40/82/21/590408221.db2.gz FDIVPFYMGCZIIA-CVEARBPZSA-N 1 1 329.400 0.948 20 30 ECEDMO C[N@@H+](CCNC(=O)Nc1cc(C#N)c(F)cc1F)CCOCCO ZINC000880707962 590416701 /nfs/dbraw/zinc/41/67/01/590416701.db2.gz ADCDLJYTEIIKIY-UHFFFAOYSA-N 1 1 342.346 0.899 20 30 ECEDMO CCS(=O)(=O)CCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877224281 590445867 /nfs/dbraw/zinc/44/58/67/590445867.db2.gz GVRBPULPAWPSIV-OAHLLOKOSA-N 1 1 335.429 0.686 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)n1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881343299 590448349 /nfs/dbraw/zinc/44/83/49/590448349.db2.gz DTVWJDHGAKQHBH-AWEZNQCLSA-N 1 1 346.435 0.666 20 30 ECEDMO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000877767177 590481243 /nfs/dbraw/zinc/48/12/43/590481243.db2.gz XHCCRCWDNZKNED-HNNXBMFYSA-N 1 1 345.428 0.666 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000877893048 590485155 /nfs/dbraw/zinc/48/51/55/590485155.db2.gz JPRYIRLLCXRJGT-INIZCTEOSA-N 1 1 339.480 0.210 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878315301 590515502 /nfs/dbraw/zinc/51/55/02/590515502.db2.gz LDTZLMMMRJRRIK-AWEZNQCLSA-N 1 1 327.450 0.031 20 30 ECEDMO C#CC[N@@H+](C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C1CSC1 ZINC000878910704 590551005 /nfs/dbraw/zinc/55/10/05/590551005.db2.gz RGZPJGPQHHBSHZ-CYBMUJFWSA-N 1 1 330.409 0.694 20 30 ECEDMO C#CC[N@H+](C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C1CSC1 ZINC000878910704 590551006 /nfs/dbraw/zinc/55/10/06/590551006.db2.gz RGZPJGPQHHBSHZ-CYBMUJFWSA-N 1 1 330.409 0.694 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879050612 590560178 /nfs/dbraw/zinc/56/01/78/590560178.db2.gz PKVBYJBHGSKYJY-FFSVYQOJSA-N 1 1 326.416 0.965 20 30 ECEDMO C=CCNC(=O)NC(=O)CN(CCOC)CC1CC[NH+](C)CC1 ZINC000879122085 590564781 /nfs/dbraw/zinc/56/47/81/590564781.db2.gz JBFRXEYIEBTGPB-UHFFFAOYSA-N 1 1 326.441 0.288 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884956688 590654473 /nfs/dbraw/zinc/65/44/73/590654473.db2.gz DPTCYUWIKHCQLA-KGLIPLIRSA-N 1 1 330.454 0.310 20 30 ECEDMO C=C[C@@H](C)ONC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883764128 590663203 /nfs/dbraw/zinc/66/32/03/590663203.db2.gz QNCBMFNPWRREJW-HUUCEWRRSA-N 1 1 326.441 0.588 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2nnnn2-c2ccccc2)C1 ZINC000884133070 590751459 /nfs/dbraw/zinc/75/14/59/590751459.db2.gz KWTXPJPHFJADBZ-AWEZNQCLSA-N 1 1 339.403 0.559 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2nnnn2-c2ccccc2)C1 ZINC000884133070 590751461 /nfs/dbraw/zinc/75/14/61/590751461.db2.gz KWTXPJPHFJADBZ-AWEZNQCLSA-N 1 1 339.403 0.559 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000884201352 590771161 /nfs/dbraw/zinc/77/11/61/590771161.db2.gz WDDWQYWGGRTIGN-XGUBFFRZSA-N 1 1 325.453 0.916 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886304293 590828526 /nfs/dbraw/zinc/82/85/26/590828526.db2.gz SYEOUBYKMOMZKJ-KBPBESRZSA-N 1 1 329.466 0.692 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000884448918 590830977 /nfs/dbraw/zinc/83/09/77/590830977.db2.gz PXVNBXXKHVIJAU-AWEZNQCLSA-N 1 1 339.399 0.591 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000884448918 590830981 /nfs/dbraw/zinc/83/09/81/590830981.db2.gz PXVNBXXKHVIJAU-AWEZNQCLSA-N 1 1 339.399 0.591 20 30 ECEDMO C#CC[N@H+](CC(=O)NCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427782 590842778 /nfs/dbraw/zinc/84/27/78/590842778.db2.gz XOBOMWVLEYRGFM-UHFFFAOYSA-N 1 1 334.420 0.961 20 30 ECEDMO C#CC[N@@H+](CC(=O)NCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427782 590842779 /nfs/dbraw/zinc/84/27/79/590842779.db2.gz XOBOMWVLEYRGFM-UHFFFAOYSA-N 1 1 334.420 0.961 20 30 ECEDMO C#CCC1(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCC1 ZINC000886791399 590883392 /nfs/dbraw/zinc/88/33/92/590883392.db2.gz HSOICMTYLJEZNA-MRXNPFEDSA-N 1 1 347.459 0.762 20 30 ECEDMO C=CCC1(O)CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000887699733 590992927 /nfs/dbraw/zinc/99/29/27/590992927.db2.gz KVADSUMHTSPDLN-UHFFFAOYSA-N 1 1 338.452 0.263 20 30 ECEDMO C#CC[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000888056774 591033171 /nfs/dbraw/zinc/03/31/71/591033171.db2.gz RVSSTVGKXYBPSG-HZPDHXFCSA-N 1 1 334.464 0.984 20 30 ECEDMO N#Cc1ccc(NCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)nc1 ZINC000889760036 591084611 /nfs/dbraw/zinc/08/46/11/591084611.db2.gz AQEXIXFDKIIXQZ-GJZGRUSLSA-N 1 1 329.404 0.423 20 30 ECEDMO N#CCCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000890234259 591143519 /nfs/dbraw/zinc/14/35/19/591143519.db2.gz PCGWVADPDWGAFH-MRXNPFEDSA-N 1 1 341.415 0.939 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000922629211 611356407 /nfs/dbraw/zinc/35/64/07/611356407.db2.gz WMDSWPPEPPPYCG-PBHICJAKSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC000946662853 611400301 /nfs/dbraw/zinc/40/03/01/611400301.db2.gz AASMUFGNTCCAPN-KGLIPLIRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC000946662853 611400304 /nfs/dbraw/zinc/40/03/04/611400304.db2.gz AASMUFGNTCCAPN-KGLIPLIRSA-N 1 1 339.386 0.846 20 30 ECEDMO N#Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)C(N)=O)CC[C@@H]3C2)ccc1F ZINC000946747101 611448876 /nfs/dbraw/zinc/44/88/76/611448876.db2.gz MAVDQCWDFJXDPQ-OKILXGFUSA-N 1 1 344.390 0.853 20 30 ECEDMO N#Cc1sccc1N1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000930928922 611483623 /nfs/dbraw/zinc/48/36/23/611483623.db2.gz VCZNIKGCWYJBON-OAHLLOKOSA-N 1 1 337.445 0.644 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000946796243 611485278 /nfs/dbraw/zinc/48/52/78/611485278.db2.gz FVTMDKFBUVLJRL-HNNXBMFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)NCc2cccc(OCCOC)c2)CC1 ZINC000931145776 611511219 /nfs/dbraw/zinc/51/12/19/611511219.db2.gz QFQONCCBLUGXPE-UHFFFAOYSA-N 1 1 346.427 0.788 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926142174 611518968 /nfs/dbraw/zinc/51/89/68/611518968.db2.gz NYMZHIBPUQAQCQ-FSNPWBFUSA-N 1 1 333.476 0.680 20 30 ECEDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@]1(C#N)CCCOC1)C2 ZINC000926194987 611524643 /nfs/dbraw/zinc/52/46/43/611524643.db2.gz WOPZFJYGSWHBLX-XHHISWJOSA-N 1 1 335.448 0.903 20 30 ECEDMO N#CCCN(CCC#N)C(=O)CN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931291537 611529055 /nfs/dbraw/zinc/52/90/55/611529055.db2.gz WBWIFIPBNBSCKF-UHFFFAOYSA-N 1 1 347.463 0.829 20 30 ECEDMO N#CC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000931333061 611531189 /nfs/dbraw/zinc/53/11/89/611531189.db2.gz VBGXPBITROOKOK-OFTGVCEQSA-N 1 1 331.338 0.992 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000931547017 611548605 /nfs/dbraw/zinc/54/86/05/611548605.db2.gz HMKBVIGITCFOHL-GASCZTMLSA-N 1 1 325.368 0.543 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C ZINC000947479466 611553568 /nfs/dbraw/zinc/55/35/68/611553568.db2.gz NAIHWBRXGQMTJI-ZIAGYGMSSA-N 1 1 342.403 0.926 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000931594554 611551746 /nfs/dbraw/zinc/55/17/46/611551746.db2.gz OGXCZTATJUUTSH-CQSZACIVSA-N 1 1 332.379 0.914 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000948419084 611584962 /nfs/dbraw/zinc/58/49/62/611584962.db2.gz WRAQYKSYBPECQC-SWLSCSKDSA-N 1 1 343.431 0.805 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)CC1 ZINC000948421134 611585641 /nfs/dbraw/zinc/58/56/41/611585641.db2.gz LOUSLESHYLEFIB-OAHLLOKOSA-N 1 1 343.493 0.911 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)C[C@H]1C ZINC000947556147 611593913 /nfs/dbraw/zinc/59/39/13/611593913.db2.gz OSGPWKBEJVYSKH-OCCSQVGLSA-N 1 1 326.404 0.969 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC000947611128 611617989 /nfs/dbraw/zinc/61/79/89/611617989.db2.gz HFRMAJFDKXKLEG-QWHCGFSZSA-N 1 1 328.844 0.140 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC000947611128 611617991 /nfs/dbraw/zinc/61/79/91/611617991.db2.gz HFRMAJFDKXKLEG-QWHCGFSZSA-N 1 1 328.844 0.140 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CCN1C1CC1 ZINC000927629442 611620959 /nfs/dbraw/zinc/62/09/59/611620959.db2.gz JOOBOOKQTPKTEE-DLBZAZTESA-N 1 1 347.463 0.621 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn(C(C)(C)C)c(=O)[nH]c1=O ZINC000927807104 611636738 /nfs/dbraw/zinc/63/67/38/611636738.db2.gz TXELZSOALOKBND-ZDUSSCGKSA-N 1 1 332.404 0.418 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn(C(C)(C)C)c(=O)[nH]c1=O ZINC000927807104 611636739 /nfs/dbraw/zinc/63/67/39/611636739.db2.gz TXELZSOALOKBND-ZDUSSCGKSA-N 1 1 332.404 0.418 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1C#N ZINC000947035634 611639319 /nfs/dbraw/zinc/63/93/19/611639319.db2.gz DHLUGMJRHLZLLI-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937350888 608612506 /nfs/dbraw/zinc/61/25/06/608612506.db2.gz BWHDIFVXGAOTOI-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC000936909363 608653111 /nfs/dbraw/zinc/65/31/11/608653111.db2.gz FKMARSIHDKKAIR-WBVHZDCISA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cscn2)C1 ZINC000936884184 608680914 /nfs/dbraw/zinc/68/09/14/608680914.db2.gz GVHFRNFQGBNBGV-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cscn2)C1 ZINC000936884184 608680916 /nfs/dbraw/zinc/68/09/16/608680916.db2.gz GVHFRNFQGBNBGV-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CC[C@H]2CO)CC1 ZINC000934017919 608788003 /nfs/dbraw/zinc/78/80/03/608788003.db2.gz UCZVNOYKZFAGTQ-DLBZAZTESA-N 1 1 346.406 0.601 20 30 ECEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CC[C@H]2CO)CC1 ZINC000934017919 608788006 /nfs/dbraw/zinc/78/80/06/608788006.db2.gz UCZVNOYKZFAGTQ-DLBZAZTESA-N 1 1 346.406 0.601 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](Cc3nccs3)C2)CC1 ZINC000934332921 608810679 /nfs/dbraw/zinc/81/06/79/608810679.db2.gz MLKGEMRJPYEYSH-OAHLLOKOSA-N 1 1 332.473 0.785 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C[C@H]1C ZINC000947547284 608884581 /nfs/dbraw/zinc/88/45/81/608884581.db2.gz QCWQXZJJOKBRMA-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947205353 608919816 /nfs/dbraw/zinc/91/98/16/608919816.db2.gz PIYYMJLBEICRRB-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1CN(C(=O)NCC#CCO)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000923780228 608936093 /nfs/dbraw/zinc/93/60/93/608936093.db2.gz JFNWQEIDTAQDOM-NVXWUHKLSA-N 1 1 331.416 0.431 20 30 ECEDMO C[C@@H]1CN(C(=O)NCC#CCO)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000923780228 608936095 /nfs/dbraw/zinc/93/60/95/608936095.db2.gz JFNWQEIDTAQDOM-NVXWUHKLSA-N 1 1 331.416 0.431 20 30 ECEDMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC#CCO ZINC000923781369 608940262 /nfs/dbraw/zinc/94/02/62/608940262.db2.gz XBJXSNXGFXEKQJ-UHFFFAOYSA-N 1 1 330.432 0.446 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C[C@@H]1C ZINC000947309077 608944975 /nfs/dbraw/zinc/94/49/75/608944975.db2.gz CBVDWYKPGWOJPX-KBPBESRZSA-N 1 1 333.432 0.764 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CON=C(N)C2CCCC2)C1 ZINC000178139250 608948712 /nfs/dbraw/zinc/94/87/12/608948712.db2.gz PARINWXUGWXWNV-OAHLLOKOSA-N 1 1 340.468 0.938 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1=O ZINC000925277207 608981557 /nfs/dbraw/zinc/98/15/57/608981557.db2.gz SKHLABIBVWFFDR-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000937265603 609093195 /nfs/dbraw/zinc/09/31/95/609093195.db2.gz RFZMMPFHZNJELU-CABCVRRESA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000937265603 609093198 /nfs/dbraw/zinc/09/31/98/609093198.db2.gz RFZMMPFHZNJELU-CABCVRRESA-N 1 1 335.448 0.304 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000928452755 611689906 /nfs/dbraw/zinc/68/99/06/611689906.db2.gz MOVUERPVMRJQTM-DOMZBBRYSA-N 1 1 335.429 0.421 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC000937892494 609366523 /nfs/dbraw/zinc/36/65/23/609366523.db2.gz IMXKBHLJJSXOIC-GJZGRUSLSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC000937892494 609366525 /nfs/dbraw/zinc/36/65/25/609366525.db2.gz IMXKBHLJJSXOIC-GJZGRUSLSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@@H]1C ZINC000947796553 611694962 /nfs/dbraw/zinc/69/49/62/611694962.db2.gz OKRUNQAZVLECJS-LSDHHAIUSA-N 1 1 346.435 0.171 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000938170733 609482404 /nfs/dbraw/zinc/48/24/04/609482404.db2.gz MRZRWUWAEHARKQ-HOTGVXAUSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000938170733 609482407 /nfs/dbraw/zinc/48/24/07/609482407.db2.gz MRZRWUWAEHARKQ-HOTGVXAUSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2oncc2C)C1 ZINC000938170497 609482574 /nfs/dbraw/zinc/48/25/74/609482574.db2.gz ILBODFXVTOGZNY-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2oncc2C)C1 ZINC000938170497 609482577 /nfs/dbraw/zinc/48/25/77/609482577.db2.gz ILBODFXVTOGZNY-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC000938170970 609482671 /nfs/dbraw/zinc/48/26/71/609482671.db2.gz RMLRXJGJMBOLJO-RLFYNMQTSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC000938170970 609482674 /nfs/dbraw/zinc/48/26/74/609482674.db2.gz RMLRXJGJMBOLJO-RLFYNMQTSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnc(C)cn2)C1 ZINC000938171658 609484388 /nfs/dbraw/zinc/48/43/88/609484388.db2.gz IYZYGYAARAJOFD-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnc(C)cn2)C1 ZINC000938171658 609484391 /nfs/dbraw/zinc/48/43/91/609484391.db2.gz IYZYGYAARAJOFD-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC000938172025 609485214 /nfs/dbraw/zinc/48/52/14/609485214.db2.gz PNXRTPPJZGURJV-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC000938172025 609485216 /nfs/dbraw/zinc/48/52/16/609485216.db2.gz PNXRTPPJZGURJV-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnoc2CC)C1 ZINC000938172783 609485595 /nfs/dbraw/zinc/48/55/95/609485595.db2.gz HDCQRUQDHWCSDG-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnoc2CC)C1 ZINC000938172783 609485596 /nfs/dbraw/zinc/48/55/96/609485596.db2.gz HDCQRUQDHWCSDG-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(F)(F)F)C1 ZINC000938172411 609485633 /nfs/dbraw/zinc/48/56/33/609485633.db2.gz XITAVMQKQVJXCN-RYUDHWBXSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(F)(F)F)C1 ZINC000938172411 609485634 /nfs/dbraw/zinc/48/56/34/609485634.db2.gz XITAVMQKQVJXCN-RYUDHWBXSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC000938173564 609486406 /nfs/dbraw/zinc/48/64/06/609486406.db2.gz UUYXHDYOWNVTGR-AGIUHOORSA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC000938173564 609486407 /nfs/dbraw/zinc/48/64/07/609486407.db2.gz UUYXHDYOWNVTGR-AGIUHOORSA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@@H]1C ZINC000947811231 611701166 /nfs/dbraw/zinc/70/11/66/611701166.db2.gz XUIZGOMCPIFHMR-QWHCGFSZSA-N 1 1 327.388 0.547 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000908006967 609635359 /nfs/dbraw/zinc/63/53/59/609635359.db2.gz JLGGXOPKKKDOAH-CABCVRRESA-N 1 1 341.477 0.931 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cn2)C1 ZINC000908215507 609647996 /nfs/dbraw/zinc/64/79/96/609647996.db2.gz YSIRLOUNKSSGTK-CQSZACIVSA-N 1 1 330.388 0.845 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cn2)C1 ZINC000908215507 609647997 /nfs/dbraw/zinc/64/79/97/609647997.db2.gz YSIRLOUNKSSGTK-CQSZACIVSA-N 1 1 330.388 0.845 20 30 ECEDMO C=CCn1c(-c2ncon2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000908736579 609659673 /nfs/dbraw/zinc/65/96/73/609659673.db2.gz OBZYWNBYPNGMGI-GFCCVEGCSA-N 1 1 331.380 0.425 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920210113 609675132 /nfs/dbraw/zinc/67/51/32/609675132.db2.gz PNDJOQGWIWPYCP-DYVFJYSZSA-N 1 1 338.452 0.250 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)c2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000928658025 611708047 /nfs/dbraw/zinc/70/80/47/611708047.db2.gz JGNBGELUQDJKOF-UHFFFAOYSA-N 1 1 341.459 0.661 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)CC2(OCC)CCOCC2)CC1 ZINC000921436730 609716356 /nfs/dbraw/zinc/71/63/56/609716356.db2.gz ALBAXEOETUCWBD-UHFFFAOYSA-N 1 1 344.477 0.589 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)C[C@@]2(OC(C)C)CCOC2)CC1 ZINC000921437485 609716591 /nfs/dbraw/zinc/71/65/91/609716591.db2.gz YMDZMXQKTWUOGX-MRXNPFEDSA-N 1 1 344.477 0.588 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000921437026 609716653 /nfs/dbraw/zinc/71/66/53/609716653.db2.gz KGUNECZMFNHQIE-UKRRQHHQSA-N 1 1 330.450 0.055 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C ZINC000948071440 609721805 /nfs/dbraw/zinc/72/18/05/609721805.db2.gz YCBCNRMJPURCER-WDEREUQCSA-N 1 1 340.815 0.099 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C ZINC000948071440 609721806 /nfs/dbraw/zinc/72/18/06/609721806.db2.gz YCBCNRMJPURCER-WDEREUQCSA-N 1 1 340.815 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(CC)on2)C1 ZINC000938371822 609758446 /nfs/dbraw/zinc/75/84/46/609758446.db2.gz PVQLVNJKCDXCBV-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(CC)on2)C1 ZINC000938371822 609758447 /nfs/dbraw/zinc/75/84/47/609758447.db2.gz PVQLVNJKCDXCBV-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000938375942 609760962 /nfs/dbraw/zinc/76/09/62/609760962.db2.gz XEJSOXSDAVKOHY-VNQPRFMTSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000948848810 609768405 /nfs/dbraw/zinc/76/84/05/609768405.db2.gz GZQSIZAHZSJKKY-GJZGRUSLSA-N 1 1 343.493 0.909 20 30 ECEDMO C#CCN(C(=O)C(=O)NC[C@H]1CCN1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000910881991 609772455 /nfs/dbraw/zinc/77/24/55/609772455.db2.gz AEXHNSUVFQKPRR-MRXNPFEDSA-N 1 1 348.491 0.531 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000938397099 609775376 /nfs/dbraw/zinc/77/53/76/609775376.db2.gz MGKLPVKPNPSCKY-IRXDYDNUSA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000938397099 609775377 /nfs/dbraw/zinc/77/53/77/609775377.db2.gz MGKLPVKPNPSCKY-IRXDYDNUSA-N 1 1 341.411 0.329 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000910921215 609780693 /nfs/dbraw/zinc/78/06/93/609780693.db2.gz XUGCVLQHMPBNNH-IXDOHACOSA-N 1 1 347.459 0.306 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC000947344001 609783948 /nfs/dbraw/zinc/78/39/48/609783948.db2.gz RYHCKUGNDOUSEK-ZIAGYGMSSA-N 1 1 332.452 0.963 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)[C@@H](C)C(C)(C)C)c1=O ZINC000914568954 609892698 /nfs/dbraw/zinc/89/26/98/609892698.db2.gz QCJBXPUYMFPNJD-ZDUSSCGKSA-N 1 1 336.436 0.868 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cnn2c1OCC(C)(C)C2 ZINC000915905055 609926896 /nfs/dbraw/zinc/92/68/96/609926896.db2.gz HJRVJBMRFGGACP-UHFFFAOYSA-N 1 1 340.449 0.535 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)C(=O)c3ccn[nH]3)C2)CC1 ZINC000938669159 609932825 /nfs/dbraw/zinc/93/28/25/609932825.db2.gz FBYUAPSTBKJYDR-HNNXBMFYSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC000938756267 609981961 /nfs/dbraw/zinc/98/19/61/609981961.db2.gz LQELFPAEULPRSH-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC000938756267 609981963 /nfs/dbraw/zinc/98/19/63/609981963.db2.gz LQELFPAEULPRSH-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCC#CCO)CCOCC1 ZINC000923757880 609983735 /nfs/dbraw/zinc/98/37/35/609983735.db2.gz DAIPLRLMGRBQCX-UHFFFAOYSA-N 1 1 345.443 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC000938797812 610010357 /nfs/dbraw/zinc/01/03/57/610010357.db2.gz CSIOCJQMSVWFJF-CABCVRRESA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC000938797812 610010361 /nfs/dbraw/zinc/01/03/61/610010361.db2.gz CSIOCJQMSVWFJF-CABCVRRESA-N 1 1 343.431 0.191 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000938968748 610058685 /nfs/dbraw/zinc/05/86/85/610058685.db2.gz NNABVSPPJMKRBL-JKSUJKDBSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000938968782 610058767 /nfs/dbraw/zinc/05/87/67/610058767.db2.gz NWEUIBDPEXGXPT-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CC2CCOCC2)C1 ZINC000939788581 610126511 /nfs/dbraw/zinc/12/65/11/610126511.db2.gz VHZLOXHNKXSIDR-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CC2CCOCC2)C1 ZINC000939788581 610126513 /nfs/dbraw/zinc/12/65/13/610126513.db2.gz VHZLOXHNKXSIDR-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1)C1CCC1 ZINC000939933772 610170910 /nfs/dbraw/zinc/17/09/10/610170910.db2.gz AJAJIVINTZDSLS-CYBMUJFWSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC000939530385 610228651 /nfs/dbraw/zinc/22/86/51/610228651.db2.gz INQJCOMCJCENAV-XHSDSOJGSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC000939530385 610228653 /nfs/dbraw/zinc/22/86/53/610228653.db2.gz INQJCOMCJCENAV-XHSDSOJGSA-N 1 1 343.431 0.259 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nncn2C)C1 ZINC000939617661 610249771 /nfs/dbraw/zinc/24/97/71/610249771.db2.gz VVXUDHKEUHGELX-RHSMWYFYSA-N 1 1 337.427 0.976 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn(C4CCC4)nn3)CC2)C1 ZINC000941412249 610302483 /nfs/dbraw/zinc/30/24/83/610302483.db2.gz ASCYXSGMYDUTIP-UHFFFAOYSA-N 1 1 342.447 0.468 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)NC(=O)C4)CC2)C1 ZINC000941419803 610306119 /nfs/dbraw/zinc/30/61/19/610306119.db2.gz FYJGGHKEYUKOJI-UHFFFAOYSA-N 1 1 340.427 0.809 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3snnc3C3CC3)CC2)C1 ZINC000941444938 610309630 /nfs/dbraw/zinc/30/96/30/610309630.db2.gz WOJBNXYKMJKCRE-UHFFFAOYSA-N 1 1 345.472 0.881 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc4[nH]c(C)nc4c3)CC2)C1 ZINC000941431577 610312105 /nfs/dbraw/zinc/31/21/05/610312105.db2.gz OYXIORUSEINLCY-UHFFFAOYSA-N 1 1 340.431 0.894 20 30 ECEDMO C=CCN1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941437069 610314641 /nfs/dbraw/zinc/31/46/41/610314641.db2.gz QRSLVOCOYAKQRE-INIZCTEOSA-N 1 1 329.448 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ocnc2C)CC1 ZINC000940631073 610316938 /nfs/dbraw/zinc/31/69/38/610316938.db2.gz LOLKVFQDKMAPCR-HNNXBMFYSA-N 1 1 344.415 0.755 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ocnc2C)CC1 ZINC000940631073 610316941 /nfs/dbraw/zinc/31/69/41/610316941.db2.gz LOLKVFQDKMAPCR-HNNXBMFYSA-N 1 1 344.415 0.755 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)nnn4C)CC2)C1 ZINC000941460281 610320150 /nfs/dbraw/zinc/32/01/50/610320150.db2.gz OOHJBSMOAXBRME-UHFFFAOYSA-N 1 1 340.431 0.596 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000940652452 610324320 /nfs/dbraw/zinc/32/43/20/610324320.db2.gz ZPWSYSQXYHPEFB-UHFFFAOYSA-N 1 1 340.387 0.766 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940656726 610326491 /nfs/dbraw/zinc/32/64/91/610326491.db2.gz FLYNCNJAZRNAAF-CABCVRRESA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000940692195 610332557 /nfs/dbraw/zinc/33/25/57/610332557.db2.gz XOYFTCSQXZANPA-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3cc(CC)nn3C)CC2)C1 ZINC000941499074 610343957 /nfs/dbraw/zinc/34/39/57/610343957.db2.gz MITGOIHSVKVSFY-UHFFFAOYSA-N 1 1 331.464 0.539 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3nccn3C)CC2)C1 ZINC000941500071 610344582 /nfs/dbraw/zinc/34/45/82/610344582.db2.gz KYXWYAAEBUOVSW-UHFFFAOYSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3ccc(OC)cn3)CC2)C1 ZINC000941534423 610365688 /nfs/dbraw/zinc/36/56/88/610365688.db2.gz ZDHCVNGWTILOEJ-UHFFFAOYSA-N 1 1 342.443 0.484 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](C)C1 ZINC000942313406 610392992 /nfs/dbraw/zinc/39/29/92/610392992.db2.gz IWYILFJAZPMJRP-ZYHUDNBSSA-N 1 1 340.811 0.528 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](C)C1 ZINC000942313406 610392994 /nfs/dbraw/zinc/39/29/94/610392994.db2.gz IWYILFJAZPMJRP-ZYHUDNBSSA-N 1 1 340.811 0.528 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](C)C1 ZINC000942315181 610393240 /nfs/dbraw/zinc/39/32/40/610393240.db2.gz SOXGZENCLZDBKP-GOEBONIOSA-N 1 1 332.448 0.835 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](C)C1 ZINC000942315181 610393242 /nfs/dbraw/zinc/39/32/42/610393242.db2.gz SOXGZENCLZDBKP-GOEBONIOSA-N 1 1 332.448 0.835 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C ZINC000947895902 610393493 /nfs/dbraw/zinc/39/34/93/610393493.db2.gz TXWDQXQJAKRWLW-STQMWFEESA-N 1 1 334.420 0.309 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn4ccccc34)CC2)C1 ZINC000941607654 610405632 /nfs/dbraw/zinc/40/56/32/610405632.db2.gz UGHKHKBYWUSMPI-UHFFFAOYSA-N 1 1 325.416 0.962 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc4ncccn4n3)CC2)C1 ZINC000941613202 610408961 /nfs/dbraw/zinc/40/89/61/610408961.db2.gz HWGRNKDURFYSHL-UHFFFAOYSA-N 1 1 338.415 0.195 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc4ncccn4n3)CC2)C1 ZINC000941613041 610408985 /nfs/dbraw/zinc/40/89/85/610408985.db2.gz CFSFEJXDARRIBB-UHFFFAOYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc4c(cnn4C)c3)CC2)C1 ZINC000941617885 610413215 /nfs/dbraw/zinc/41/32/15/610413215.db2.gz KKPNDZUYOYRSFL-UHFFFAOYSA-N 1 1 340.431 0.596 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000942365742 610424221 /nfs/dbraw/zinc/42/42/21/610424221.db2.gz YRNNVIWCOSAQHO-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000942365742 610424223 /nfs/dbraw/zinc/42/42/23/610424223.db2.gz YRNNVIWCOSAQHO-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000940912872 610430601 /nfs/dbraw/zinc/43/06/01/610430601.db2.gz UCPIZONSFWSAQF-GJZGRUSLSA-N 1 1 343.431 0.606 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ncccc3OC)CC2)C1 ZINC000941648809 610440068 /nfs/dbraw/zinc/44/00/68/610440068.db2.gz AYJQQPYYJHKBQV-UHFFFAOYSA-N 1 1 328.416 0.556 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCN(C2C[NH+](CCOC)C2)CC1 ZINC000941653121 610442731 /nfs/dbraw/zinc/44/27/31/610442731.db2.gz CPBWGYQNCYWIBE-UHFFFAOYSA-N 1 1 341.455 0.685 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941674408 610447535 /nfs/dbraw/zinc/44/75/35/610447535.db2.gz AJOIFTPYUWTHDP-SFHVURJKSA-N 1 1 332.492 0.713 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc(OCC)cn3)CC2)C1 ZINC000941690054 610465318 /nfs/dbraw/zinc/46/53/18/610465318.db2.gz FXBRABVGTIGMSF-UHFFFAOYSA-N 1 1 331.420 0.503 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](C)C1 ZINC000942530124 610501373 /nfs/dbraw/zinc/50/13/73/610501373.db2.gz PHPYEFAGDTUSGQ-UKRRQHHQSA-N 1 1 339.403 0.521 20 30 ECEDMO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941791034 610510714 /nfs/dbraw/zinc/51/07/14/610510714.db2.gz QLBRBRBRLQQCOP-DOTOQJQBSA-N 1 1 338.415 0.551 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000941050282 610511610 /nfs/dbraw/zinc/51/16/10/610511610.db2.gz RZOAVGGDIRLXDY-GJZGRUSLSA-N 1 1 344.463 0.866 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562176 610518189 /nfs/dbraw/zinc/51/81/89/610518189.db2.gz IGVNCECOHWIVKR-GDBMZVCRSA-N 1 1 338.415 0.702 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000941085540 610529283 /nfs/dbraw/zinc/52/92/83/610529283.db2.gz PQOYBXAQDNNRKG-JSGCOSHPSA-N 1 1 348.451 0.429 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2C)c1 ZINC000942617826 610539761 /nfs/dbraw/zinc/53/97/61/610539761.db2.gz SBZBVMUAOQCUBZ-BBRMVZONSA-N 1 1 328.416 0.591 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000941164557 610571891 /nfs/dbraw/zinc/57/18/91/610571891.db2.gz VNHGPYFCXSPLAG-ZDUSSCGKSA-N 1 1 342.403 0.271 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC000941172408 610574848 /nfs/dbraw/zinc/57/48/48/610574848.db2.gz BBALXUQXMBXRLA-AWEZNQCLSA-N 1 1 344.415 0.409 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC000941172408 610574850 /nfs/dbraw/zinc/57/48/50/610574850.db2.gz BBALXUQXMBXRLA-AWEZNQCLSA-N 1 1 344.415 0.409 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)cn1 ZINC000941168434 610582728 /nfs/dbraw/zinc/58/27/28/610582728.db2.gz CYSNOYFYYOOMGZ-DOMZBBRYSA-N 1 1 328.416 0.767 20 30 ECEDMO C[C@H]1C[N@@H+](CCn2cncn2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964867 610587054 /nfs/dbraw/zinc/58/70/54/610587054.db2.gz VAIBXFNSFUBZIN-SWLSCSKDSA-N 1 1 327.392 0.618 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc3nccc(C)n3n2)C(C)(C)C1 ZINC000941199135 610589574 /nfs/dbraw/zinc/58/95/74/610589574.db2.gz KLSZRCHNTHPMJQ-ZDUSSCGKSA-N 1 1 326.404 0.896 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)C1 ZINC000941205796 610595825 /nfs/dbraw/zinc/59/58/25/610595825.db2.gz DXXSKBMCPGRHFR-GFCCVEGCSA-N 1 1 329.404 0.429 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000941206044 610596201 /nfs/dbraw/zinc/59/62/01/610596201.db2.gz GMIPWODXLKRZFH-CYBMUJFWSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000941237801 610621366 /nfs/dbraw/zinc/62/13/66/610621366.db2.gz KAKJMXZXQNEHMF-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000941237801 610621369 /nfs/dbraw/zinc/62/13/69/610621369.db2.gz KAKJMXZXQNEHMF-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H](C)C1 ZINC000942176388 610686856 /nfs/dbraw/zinc/68/68/56/610686856.db2.gz OWVOXNPTAWDRQU-GXTWGEPZSA-N 1 1 326.462 0.824 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2nc(OC)cc(OC)n2)[C@H](C)C1 ZINC000942184413 610687894 /nfs/dbraw/zinc/68/78/94/610687894.db2.gz SLJZJYFCQXXJPL-CHWSQXEVSA-N 1 1 332.404 0.957 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3ccncc3C)CC2)C1 ZINC000941408683 610722812 /nfs/dbraw/zinc/72/28/12/610722812.db2.gz PXLSVXSFUAJSOZ-UHFFFAOYSA-N 1 1 326.444 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000943106637 610730429 /nfs/dbraw/zinc/73/04/29/610730429.db2.gz GSMYPUUJGXIFEM-CVEARBPZSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000943106637 610730430 /nfs/dbraw/zinc/73/04/30/610730430.db2.gz GSMYPUUJGXIFEM-CVEARBPZSA-N 1 1 343.431 0.618 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000944148607 610758387 /nfs/dbraw/zinc/75/83/87/610758387.db2.gz QLNTZOUTJXAHES-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)nc1 ZINC000944168057 610763348 /nfs/dbraw/zinc/76/33/48/610763348.db2.gz DLBVXFFJWDYQDI-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)COC)CC2 ZINC000944824802 610799885 /nfs/dbraw/zinc/79/98/85/610799885.db2.gz AFIQUMJIJIDLNA-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)COC)CC2 ZINC000944824802 610799886 /nfs/dbraw/zinc/79/98/86/610799886.db2.gz AFIQUMJIJIDLNA-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2cocn2)C1 ZINC000943338440 610808230 /nfs/dbraw/zinc/80/82/30/610808230.db2.gz XLVLHZMJTKWKLS-ZBFHGGJFSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2cocn2)C1 ZINC000943338440 610808231 /nfs/dbraw/zinc/80/82/31/610808231.db2.gz XLVLHZMJTKWKLS-ZBFHGGJFSA-N 1 1 344.415 0.883 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)CC2 ZINC000944931574 610848649 /nfs/dbraw/zinc/84/86/49/610848649.db2.gz FCAOZLGQYLUFSV-MRXNPFEDSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2cnco2)CC1 ZINC000943729021 610959994 /nfs/dbraw/zinc/95/99/94/610959994.db2.gz QACJZHVRZWKDFS-KKUMJFAQSA-N 1 1 344.415 0.929 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2cnco2)CC1 ZINC000943729021 610959995 /nfs/dbraw/zinc/95/99/95/610959995.db2.gz QACJZHVRZWKDFS-KKUMJFAQSA-N 1 1 344.415 0.929 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@H](C)C1 ZINC000943760894 610978390 /nfs/dbraw/zinc/97/83/90/610978390.db2.gz FSUGNVIFLATYQF-BXUZGUMPSA-N 1 1 332.404 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](CC)OC ZINC000943902958 611024071 /nfs/dbraw/zinc/02/40/71/611024071.db2.gz CNPQLNWEFCZQNK-OWCLPIDISA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](CC)OC ZINC000943902958 611024074 /nfs/dbraw/zinc/02/40/74/611024074.db2.gz CNPQLNWEFCZQNK-OWCLPIDISA-N 1 1 335.448 0.616 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000943910403 611025345 /nfs/dbraw/zinc/02/53/45/611025345.db2.gz RMFSGLQZCYIOMP-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000943914276 611037911 /nfs/dbraw/zinc/03/79/11/611037911.db2.gz FWYJOUSSGOVYNK-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C)C1 ZINC000943988538 611071130 /nfs/dbraw/zinc/07/11/30/611071130.db2.gz QPXRNLHDCOVLDY-QWHCGFSZSA-N 1 1 334.420 0.167 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 ZINC000943989293 611071613 /nfs/dbraw/zinc/07/16/13/611071613.db2.gz VDVFNGCERJETEX-CHWSQXEVSA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC000944101384 611124323 /nfs/dbraw/zinc/12/43/23/611124323.db2.gz TXLLPPLIARTARY-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC000944101384 611124324 /nfs/dbraw/zinc/12/43/24/611124324.db2.gz TXLLPPLIARTARY-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]3CC2)nc1 ZINC000946864099 611207860 /nfs/dbraw/zinc/20/78/60/611207860.db2.gz TVVXGAJVVDUDFV-CWRNSKLLSA-N 1 1 340.427 0.721 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(CC)CCO3)CC[C@@H]2C1 ZINC000946896456 611236900 /nfs/dbraw/zinc/23/69/00/611236900.db2.gz JTKOOGKXIMXBAH-FGTMMUONSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000923412543 611240275 /nfs/dbraw/zinc/24/02/75/611240275.db2.gz ZSMNYGXGMFFTSI-CVEARBPZSA-N 1 1 331.416 0.953 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000923412543 611240276 /nfs/dbraw/zinc/24/02/76/611240276.db2.gz ZSMNYGXGMFFTSI-CVEARBPZSA-N 1 1 331.416 0.953 20 30 ECEDMO Cc1ccc(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1C#N ZINC000923436102 611243577 /nfs/dbraw/zinc/24/35/77/611243577.db2.gz CUADGFCEBSXFOH-UHFFFAOYSA-N 1 1 334.445 0.286 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 ZINC000923550909 611260827 /nfs/dbraw/zinc/26/08/27/611260827.db2.gz GTZWDYSFSWCMGP-ZIAGYGMSSA-N 1 1 339.436 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 ZINC000923550909 611260828 /nfs/dbraw/zinc/26/08/28/611260828.db2.gz GTZWDYSFSWCMGP-ZIAGYGMSSA-N 1 1 339.436 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)cc2F)C1 ZINC000923562895 611263382 /nfs/dbraw/zinc/26/33/82/611263382.db2.gz NXTVVRDYVYXJKD-NSHDSACASA-N 1 1 339.392 0.301 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)cc2F)C1 ZINC000923562895 611263383 /nfs/dbraw/zinc/26/33/83/611263383.db2.gz NXTVVRDYVYXJKD-NSHDSACASA-N 1 1 339.392 0.301 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(ncnc3N(C)C)n2C)C1 ZINC000923564036 611263393 /nfs/dbraw/zinc/26/33/93/611263393.db2.gz RACQGGCMOMSSJI-ZDUSSCGKSA-N 1 1 340.431 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(ncnc3N(C)C)n2C)C1 ZINC000923564036 611263394 /nfs/dbraw/zinc/26/33/94/611263394.db2.gz RACQGGCMOMSSJI-ZDUSSCGKSA-N 1 1 340.431 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cncc(N3CCOCC3)c2)C1 ZINC000923567896 611264159 /nfs/dbraw/zinc/26/41/59/611264159.db2.gz XEEKTIRUWUBJIN-INIZCTEOSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cncc(N3CCOCC3)c2)C1 ZINC000923567896 611264160 /nfs/dbraw/zinc/26/41/60/611264160.db2.gz XEEKTIRUWUBJIN-INIZCTEOSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)Cc2cccc(F)c2)C1 ZINC000923587269 611270066 /nfs/dbraw/zinc/27/00/66/611270066.db2.gz XRAHZHRSSCVEBQ-INIZCTEOSA-N 1 1 331.391 0.698 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)Cc2cccc(F)c2)C1 ZINC000923587269 611270068 /nfs/dbraw/zinc/27/00/68/611270068.db2.gz XRAHZHRSSCVEBQ-INIZCTEOSA-N 1 1 331.391 0.698 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000923590184 611270454 /nfs/dbraw/zinc/27/04/54/611270454.db2.gz ZGXHPCNEAXBIIR-CQSZACIVSA-N 1 1 346.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000923590184 611270456 /nfs/dbraw/zinc/27/04/56/611270456.db2.gz ZGXHPCNEAXBIIR-CQSZACIVSA-N 1 1 346.431 0.455 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2CC1 ZINC000946514585 611295112 /nfs/dbraw/zinc/29/51/12/611295112.db2.gz HNMLPTJEMWLTTD-ZQDZILKHSA-N 1 1 332.448 0.984 20 30 ECEDMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1 ZINC000946559351 611319584 /nfs/dbraw/zinc/31/95/84/611319584.db2.gz YXMNMVPRTASHFB-BETUJISGSA-N 1 1 329.404 0.416 20 30 ECEDMO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000922025447 611331696 /nfs/dbraw/zinc/33/16/96/611331696.db2.gz ISHVSCKYIWWOKW-ZIAGYGMSSA-N 1 1 330.454 0.118 20 30 ECEDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000922025447 611331698 /nfs/dbraw/zinc/33/16/98/611331698.db2.gz ISHVSCKYIWWOKW-ZIAGYGMSSA-N 1 1 330.454 0.118 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933720650 611744361 /nfs/dbraw/zinc/74/43/61/611744361.db2.gz NHKCIGQMWGZYQV-QLFBSQMISA-N 1 1 336.413 0.274 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933720650 611744363 /nfs/dbraw/zinc/74/43/63/611744363.db2.gz NHKCIGQMWGZYQV-QLFBSQMISA-N 1 1 336.413 0.274 20 30 ECEDMO CS(=O)(=O)N1CC(C[NH+]2CCN(c3ccccc3C#N)CC2)C1 ZINC000929459985 611756286 /nfs/dbraw/zinc/75/62/86/611756286.db2.gz NOJZESZQDKNBLM-UHFFFAOYSA-N 1 1 334.445 0.572 20 30 ECEDMO CN(C)[S@](C)(=O)=NCC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000934751097 611817682 /nfs/dbraw/zinc/81/76/82/611817682.db2.gz UTDTYZAIYAYGPE-JOCHJYFZSA-N 1 1 329.470 0.303 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc[nH]c(=O)c1 ZINC000950755162 611890916 /nfs/dbraw/zinc/89/09/16/611890916.db2.gz FIVIGMAXPVVLGK-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc[nH]c(=O)c1 ZINC000950755162 611890917 /nfs/dbraw/zinc/89/09/17/611890917.db2.gz FIVIGMAXPVVLGK-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cccnc1C ZINC000950755143 611890920 /nfs/dbraw/zinc/89/09/20/611890920.db2.gz FBNRCYLDCKQCIW-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cccnc1C ZINC000950755143 611890921 /nfs/dbraw/zinc/89/09/21/611890921.db2.gz FBNRCYLDCKQCIW-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1(C(F)F)CC1 ZINC000950755954 611891758 /nfs/dbraw/zinc/89/17/58/611891758.db2.gz YMTUSWFDFBEQTQ-STQMWFEESA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1(C(F)F)CC1 ZINC000950755954 611891760 /nfs/dbraw/zinc/89/17/60/611891760.db2.gz YMTUSWFDFBEQTQ-STQMWFEESA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C[C@H]1CCOC1 ZINC000950755897 611892008 /nfs/dbraw/zinc/89/20/08/611892008.db2.gz XJQLHAZHGOBNRR-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C[C@H]1CCOC1 ZINC000950755897 611892010 /nfs/dbraw/zinc/89/20/10/611892010.db2.gz XJQLHAZHGOBNRR-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)nc1 ZINC000949183903 611892570 /nfs/dbraw/zinc/89/25/70/611892570.db2.gz GLQIINYZTOEMPL-FRFSOERESA-N 1 1 340.427 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC000950209590 611906050 /nfs/dbraw/zinc/90/60/50/611906050.db2.gz NJJLEFXFUHPDBT-SJORKVTESA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC000950209590 611906053 /nfs/dbraw/zinc/90/60/53/611906053.db2.gz NJJLEFXFUHPDBT-SJORKVTESA-N 1 1 345.443 0.886 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000950245973 611926887 /nfs/dbraw/zinc/92/68/87/611926887.db2.gz NWKZHMHIJHAMHA-KWCYVHTRSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CCn1cccn1)CCO2 ZINC000949320509 611937910 /nfs/dbraw/zinc/93/79/10/611937910.db2.gz ORIINJGTFHVUAM-OAHLLOKOSA-N 1 1 331.420 0.736 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CCn1cccn1)CCO2 ZINC000949320509 611937911 /nfs/dbraw/zinc/93/79/11/611937911.db2.gz ORIINJGTFHVUAM-OAHLLOKOSA-N 1 1 331.420 0.736 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000950272182 611943434 /nfs/dbraw/zinc/94/34/34/611943434.db2.gz YVKIXJMNMQOBIH-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000950272182 611943435 /nfs/dbraw/zinc/94/34/35/611943435.db2.gz YVKIXJMNMQOBIH-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO COCC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000949339039 611943474 /nfs/dbraw/zinc/94/34/74/611943474.db2.gz YSXYRSMGNUSCNN-UHFFFAOYSA-N 1 1 332.404 0.840 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 ZINC000949343810 611945930 /nfs/dbraw/zinc/94/59/30/611945930.db2.gz SLPQUDDUEFHOQA-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000950878376 611963783 /nfs/dbraw/zinc/96/37/83/611963783.db2.gz MHKHIRATOXBTQJ-OAGGEKHMSA-N 1 1 346.431 0.890 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC000949444479 611982727 /nfs/dbraw/zinc/98/27/27/611982727.db2.gz KJEXNYOCMJKOBV-UHFFFAOYSA-N 1 1 334.424 0.483 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000949451074 611985676 /nfs/dbraw/zinc/98/56/76/611985676.db2.gz RZOYBHPRXKFZSJ-KRWDZBQOSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000949451074 611985678 /nfs/dbraw/zinc/98/56/78/611985678.db2.gz RZOYBHPRXKFZSJ-KRWDZBQOSA-N 1 1 349.475 0.422 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3nc4ncccn4n3)CC2)C1 ZINC000949498205 612008110 /nfs/dbraw/zinc/00/81/10/612008110.db2.gz CKPHOHQHJPULFK-UHFFFAOYSA-N 1 1 342.403 0.617 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3nc4ncccn4n3)CC2)C1 ZINC000949498205 612008112 /nfs/dbraw/zinc/00/81/12/612008112.db2.gz CKPHOHQHJPULFK-UHFFFAOYSA-N 1 1 342.403 0.617 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498574 612008607 /nfs/dbraw/zinc/00/86/07/612008607.db2.gz TVLTZALYCBUCPK-IUODEOHRSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)ccn3)CC2)C1 ZINC000949536897 612025454 /nfs/dbraw/zinc/02/54/54/612025454.db2.gz QSCXXYFCJLOJPM-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)ccn3)CC2)C1 ZINC000949536897 612025456 /nfs/dbraw/zinc/02/54/56/612025456.db2.gz QSCXXYFCJLOJPM-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000950505338 612044177 /nfs/dbraw/zinc/04/41/77/612044177.db2.gz ZMVFSGQYALDWRR-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000950505338 612044179 /nfs/dbraw/zinc/04/41/79/612044179.db2.gz ZMVFSGQYALDWRR-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000950517011 612049382 /nfs/dbraw/zinc/04/93/82/612049382.db2.gz FDSZFKALVLNEPK-XNRPHZJLSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000949769796 612075560 /nfs/dbraw/zinc/07/55/60/612075560.db2.gz ANSWKNGXMUNFMP-IRXDYDNUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000949769796 612075561 /nfs/dbraw/zinc/07/55/61/612075561.db2.gz ANSWKNGXMUNFMP-IRXDYDNUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)OC ZINC000952739129 612086651 /nfs/dbraw/zinc/08/66/51/612086651.db2.gz YUDDFZNXAUTZBA-NCOADZHNSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)OC ZINC000952739129 612086654 /nfs/dbraw/zinc/08/66/54/612086654.db2.gz YUDDFZNXAUTZBA-NCOADZHNSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C(C)(F)F)C1 ZINC000951223462 612088682 /nfs/dbraw/zinc/08/86/82/612088682.db2.gz IGIUANWXYCUBEN-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C(C)(F)F)C1 ZINC000951223462 612088684 /nfs/dbraw/zinc/08/86/84/612088684.db2.gz IGIUANWXYCUBEN-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000951223874 612088878 /nfs/dbraw/zinc/08/88/78/612088878.db2.gz RREKLOGZMCEIBT-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000951223874 612088880 /nfs/dbraw/zinc/08/88/80/612088880.db2.gz RREKLOGZMCEIBT-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 ZINC000085543427 612137044 /nfs/dbraw/zinc/13/70/44/612137044.db2.gz HPJNGCBTVBSVPR-QGZVFWFLSA-N 1 1 344.415 0.788 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 ZINC000085543427 612137045 /nfs/dbraw/zinc/13/70/45/612137045.db2.gz HPJNGCBTVBSVPR-QGZVFWFLSA-N 1 1 344.415 0.788 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000951965525 612158081 /nfs/dbraw/zinc/15/80/81/612158081.db2.gz KKYDIVQGOYOWQZ-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000951965525 612158083 /nfs/dbraw/zinc/15/80/83/612158083.db2.gz KKYDIVQGOYOWQZ-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)Cn2c[nH+]cc2C)c1 ZINC000952014247 612177145 /nfs/dbraw/zinc/17/71/45/612177145.db2.gz IICIGFMORXABAN-INIZCTEOSA-N 1 1 337.383 0.599 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CC[C@H](C)C2)nc1 ZINC000951377546 612193941 /nfs/dbraw/zinc/19/39/41/612193941.db2.gz APOBNVMJRPVWSP-HOCLYGCPSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000952065347 612210033 /nfs/dbraw/zinc/21/00/33/612210033.db2.gz YMEDXEYLGZKJJT-OAGGEKHMSA-N 1 1 346.431 0.890 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]nc1C ZINC000951427983 612227333 /nfs/dbraw/zinc/22/73/33/612227333.db2.gz CPYMMBURAOVJCF-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]nc1C ZINC000951427983 612227335 /nfs/dbraw/zinc/22/73/35/612227335.db2.gz CPYMMBURAOVJCF-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000952177758 612265396 /nfs/dbraw/zinc/26/53/96/612265396.db2.gz MBYYLORQFKMRIP-OAGGEKHMSA-N 1 1 335.448 0.779 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000953830928 612331833 /nfs/dbraw/zinc/33/18/33/612331833.db2.gz HIYFNAYBMZWYSP-INIZCTEOSA-N 1 1 333.432 0.180 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000953830928 612331836 /nfs/dbraw/zinc/33/18/36/612331836.db2.gz HIYFNAYBMZWYSP-INIZCTEOSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000953834787 612337973 /nfs/dbraw/zinc/33/79/73/612337973.db2.gz QNNBMSMCQIMBSA-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000953834787 612337977 /nfs/dbraw/zinc/33/79/77/612337977.db2.gz QNNBMSMCQIMBSA-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC000953904513 612418487 /nfs/dbraw/zinc/41/84/87/612418487.db2.gz DSFZWRLRIQXHIE-MRXNPFEDSA-N 1 1 326.400 0.440 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000955337330 612455935 /nfs/dbraw/zinc/45/59/35/612455935.db2.gz JHYCACFJIYMFHS-LBPRGKRZSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951681498 612466760 /nfs/dbraw/zinc/46/67/60/612466760.db2.gz IIZFYBWHLBHVRT-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951681498 612466762 /nfs/dbraw/zinc/46/67/62/612466762.db2.gz IIZFYBWHLBHVRT-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cscn2)C1 ZINC000954631186 612469292 /nfs/dbraw/zinc/46/92/92/612469292.db2.gz RSLRUJWMOJBJDQ-AWEZNQCLSA-N 1 1 332.429 0.524 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cscn2)C1 ZINC000954631186 612469295 /nfs/dbraw/zinc/46/92/95/612469295.db2.gz RSLRUJWMOJBJDQ-AWEZNQCLSA-N 1 1 332.429 0.524 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954632150 612471071 /nfs/dbraw/zinc/47/10/71/612471071.db2.gz PHXRUQHBAYRVMH-OIISXLGYSA-N 1 1 346.475 0.093 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2cn[nH]c2)C1 ZINC000954632420 612471947 /nfs/dbraw/zinc/47/19/47/612471947.db2.gz XDRCDRBUFWVLPM-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2cn[nH]c2)C1 ZINC000954632420 612471951 /nfs/dbraw/zinc/47/19/51/612471951.db2.gz XDRCDRBUFWVLPM-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000951721123 612506484 /nfs/dbraw/zinc/50/64/84/612506484.db2.gz MIEKVYZOGYRSHP-AEGPPILISA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)on2)C1 ZINC000953669064 612507398 /nfs/dbraw/zinc/50/73/98/612507398.db2.gz ZJCKXQAMJIXSJF-HNNXBMFYSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)on2)C1 ZINC000953669064 612507401 /nfs/dbraw/zinc/50/74/01/612507401.db2.gz ZJCKXQAMJIXSJF-HNNXBMFYSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC000953973019 612515684 /nfs/dbraw/zinc/51/56/84/612515684.db2.gz LYNLGOZPECBEDQ-HNNXBMFYSA-N 1 1 342.399 0.168 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC000953973019 612515690 /nfs/dbraw/zinc/51/56/90/612515690.db2.gz LYNLGOZPECBEDQ-HNNXBMFYSA-N 1 1 342.399 0.168 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000953998331 612536408 /nfs/dbraw/zinc/53/64/08/612536408.db2.gz YAEKJMRGMKVTAP-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000956803559 612567570 /nfs/dbraw/zinc/56/75/70/612567570.db2.gz DULXTWWIYICRIW-DFHBCGBQSA-N 1 1 343.431 0.947 20 30 ECEDMO CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954710492 612581643 /nfs/dbraw/zinc/58/16/43/612581643.db2.gz UOPJQPPNFWJOBR-OAHLLOKOSA-N 1 1 329.404 0.653 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956018176 612614740 /nfs/dbraw/zinc/61/47/40/612614740.db2.gz HLQJZTVGCJAQOW-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cncnc2)C1 ZINC000956847897 612627176 /nfs/dbraw/zinc/62/71/76/612627176.db2.gz OBVYZYIZOSSURH-MAUKXSAKSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cncnc2)C1 ZINC000956847897 612627180 /nfs/dbraw/zinc/62/71/80/612627180.db2.gz OBVYZYIZOSSURH-MAUKXSAKSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC000951810757 612649838 /nfs/dbraw/zinc/64/98/38/612649838.db2.gz CVTYIZIVTFKGMH-KGLIPLIRSA-N 1 1 345.399 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC000951810757 612649844 /nfs/dbraw/zinc/64/98/44/612649844.db2.gz CVTYIZIVTFKGMH-KGLIPLIRSA-N 1 1 345.399 0.717 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954108390 612672047 /nfs/dbraw/zinc/67/20/47/612672047.db2.gz YHOWYAOTRGBRRD-NHYWBVRUSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(CC)on2)C1 ZINC000954911521 612780711 /nfs/dbraw/zinc/78/07/11/612780711.db2.gz GAHXHCNKUBJVOM-INIZCTEOSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(CC)on2)C1 ZINC000954911521 612780713 /nfs/dbraw/zinc/78/07/13/612780713.db2.gz GAHXHCNKUBJVOM-INIZCTEOSA-N 1 1 344.415 0.617 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC000954911946 612781116 /nfs/dbraw/zinc/78/11/16/612781116.db2.gz CEFYVUAXAVFTOP-UHFFFAOYSA-N 1 1 337.383 0.551 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954932567 612795364 /nfs/dbraw/zinc/79/53/64/612795364.db2.gz ZYUPLEAWYAQATF-QGZVFWFLSA-N 1 1 339.439 0.831 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2ccn[nH]2)CC1 ZINC000956298263 612817398 /nfs/dbraw/zinc/81/73/98/612817398.db2.gz UWRRPENUXSFFRL-HNNXBMFYSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2ccn[nH]2)CC1 ZINC000956298263 612817401 /nfs/dbraw/zinc/81/74/01/612817401.db2.gz UWRRPENUXSFFRL-HNNXBMFYSA-N 1 1 343.431 0.618 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000956412261 612873359 /nfs/dbraw/zinc/87/33/59/612873359.db2.gz KRLVCBWGOQYAEK-BFHYXJOUSA-N 1 1 336.436 0.362 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000956412261 612873361 /nfs/dbraw/zinc/87/33/61/612873361.db2.gz KRLVCBWGOQYAEK-BFHYXJOUSA-N 1 1 336.436 0.362 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000954381830 612885316 /nfs/dbraw/zinc/88/53/16/612885316.db2.gz RFVRWQGWLYVAPZ-ZDUSSCGKSA-N 1 1 346.435 0.089 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)C2=COCCC2)C1 ZINC000956762496 612944892 /nfs/dbraw/zinc/94/48/92/612944892.db2.gz LEFFLHLTPLPHQY-LPHOPBHVSA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)C2=COCCC2)C1 ZINC000956762496 612944893 /nfs/dbraw/zinc/94/48/93/612944893.db2.gz LEFFLHLTPLPHQY-LPHOPBHVSA-N 1 1 345.443 0.886 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC001041782133 782194119 /nfs/dbraw/zinc/19/41/19/782194119.db2.gz RIIWEXKBIAUWJW-YJBOKZPZSA-N 1 1 332.448 0.867 20 30 ECEDMO Cc1nc(C#N)cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164749349 720803555 /nfs/dbraw/zinc/80/35/55/720803555.db2.gz UGUNEXJOARRVDM-LSDHHAIUSA-N 1 1 337.387 0.789 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000971894685 735334095 /nfs/dbraw/zinc/33/40/95/735334095.db2.gz BDUIZBGIJFSGBZ-GFCCVEGCSA-N 1 1 327.812 0.811 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000971894685 735334098 /nfs/dbraw/zinc/33/40/98/735334098.db2.gz BDUIZBGIJFSGBZ-GFCCVEGCSA-N 1 1 327.812 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1cnon1 ZINC001024987834 738462309 /nfs/dbraw/zinc/46/23/09/738462309.db2.gz WKEMAOSVKWIJKT-CVEARBPZSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCc1cnon1 ZINC001024987834 738462313 /nfs/dbraw/zinc/46/23/13/738462313.db2.gz WKEMAOSVKWIJKT-CVEARBPZSA-N 1 1 331.420 0.638 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[NH2+]Cc2cnn(-c3ccccc3)n2)[nH]1 ZINC001125818410 738484441 /nfs/dbraw/zinc/48/44/41/738484441.db2.gz GRFBZJPDKBWBJU-UHFFFAOYSA-N 1 1 335.371 0.987 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069975006 790268211 /nfs/dbraw/zinc/26/82/11/790268211.db2.gz ZWPPPZDIYDBRLG-KGLIPLIRSA-N 1 1 345.407 0.252 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069975006 790268214 /nfs/dbraw/zinc/26/82/14/790268214.db2.gz ZWPPPZDIYDBRLG-KGLIPLIRSA-N 1 1 345.407 0.252 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000969169998 731553532 /nfs/dbraw/zinc/55/35/32/731553532.db2.gz LCKCRWLVUIQPBG-CZUORRHYSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C2)C1 ZINC001041794270 782222180 /nfs/dbraw/zinc/22/21/80/782222180.db2.gz RAMPYDPSEWINBH-IBGZPJMESA-N 1 1 337.379 0.741 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC001041798016 782231561 /nfs/dbraw/zinc/23/15/61/782231561.db2.gz VFNQDQMOTVLJKA-SFHVURJKSA-N 1 1 328.416 0.499 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cnn(C)c3C)C2)C1=O ZINC000969314451 731704629 /nfs/dbraw/zinc/70/46/29/731704629.db2.gz XBZZWEOAYLQXOT-WBMJQRKESA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1COCCO1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969325169 731722829 /nfs/dbraw/zinc/72/28/29/731722829.db2.gz ZOCJZHZFKIEJIA-ABAIWWIYSA-N 1 1 335.429 0.972 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cscn3)C2)C1=O ZINC000969398773 731796957 /nfs/dbraw/zinc/79/69/57/731796957.db2.gz LACNSWUJQVDMJM-BXUZGUMPSA-N 1 1 334.445 0.980 20 30 ECEDMO C=C(Br)CN1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969441685 731884277 /nfs/dbraw/zinc/88/42/77/731884277.db2.gz LTZLSBJADLGDLB-WCQYABFASA-N 1 1 346.269 0.662 20 30 ECEDMO C=C(Br)CN1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969441685 731884280 /nfs/dbraw/zinc/88/42/80/731884280.db2.gz LTZLSBJADLGDLB-WCQYABFASA-N 1 1 346.269 0.662 20 30 ECEDMO CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000969462011 731909435 /nfs/dbraw/zinc/90/94/35/731909435.db2.gz CEONENJXHFYGKN-NHYWBVRUSA-N 1 1 329.404 0.557 20 30 ECEDMO CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000969462014 731909470 /nfs/dbraw/zinc/90/94/70/731909470.db2.gz CEONENJXHFYGKN-XHDPSFHLSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@H](NC(=O)[C@H]1COCCN1C)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969517287 731937001 /nfs/dbraw/zinc/93/70/01/731937001.db2.gz IRPQNCGWHPLCDN-QFBILLFUSA-N 1 1 341.455 0.805 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000969514471 731940918 /nfs/dbraw/zinc/94/09/18/731940918.db2.gz ORTBISYTURLWQT-NSHDSACASA-N 1 1 329.404 0.557 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 ZINC000969548705 731957507 /nfs/dbraw/zinc/95/75/07/731957507.db2.gz UNNXKTSSZUAILJ-CQSZACIVSA-N 1 1 340.387 0.998 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969596945 731994977 /nfs/dbraw/zinc/99/49/77/731994977.db2.gz WQTZKIDVNUYRMF-CJNGLKHVSA-N 1 1 327.384 0.583 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cnn(CC)n3)C2)C1=O ZINC000969624842 732007170 /nfs/dbraw/zinc/00/71/70/732007170.db2.gz NQTROLGMFHZFSY-SWLSCSKDSA-N 1 1 346.435 0.135 20 30 ECEDMO CCCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@H]2C)CC1=O ZINC001208964050 732438117 /nfs/dbraw/zinc/43/81/17/732438117.db2.gz REGKXRIWQPIZEJ-BZUAXINKSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ncc(C)cn2)C1 ZINC000969866544 732465360 /nfs/dbraw/zinc/46/53/60/732465360.db2.gz YBDGXXZWTSGLTM-WBVHZDCISA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ncc(C)cn2)C1 ZINC000969866544 732465362 /nfs/dbraw/zinc/46/53/62/732465362.db2.gz YBDGXXZWTSGLTM-WBVHZDCISA-N 1 1 341.459 0.819 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1 ZINC001069983985 790278027 /nfs/dbraw/zinc/27/80/27/790278027.db2.gz YZWYXNRLARDLPQ-KDNLLOOPSA-N 1 1 343.431 0.619 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001041824189 782277379 /nfs/dbraw/zinc/27/73/79/782277379.db2.gz UNCCDFQAAQFUSM-INIZCTEOSA-N 1 1 339.823 0.812 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001041824189 782277384 /nfs/dbraw/zinc/27/73/84/782277384.db2.gz UNCCDFQAAQFUSM-INIZCTEOSA-N 1 1 339.823 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccnnc3C)C2)C1=O ZINC000970065427 732709361 /nfs/dbraw/zinc/70/93/61/732709361.db2.gz ZJZCKYFPBNKZHO-MLGOLLRUSA-N 1 1 343.431 0.622 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001041824913 782279226 /nfs/dbraw/zinc/27/92/26/782279226.db2.gz YZUSJORCWXYONI-QGZVFWFLSA-N 1 1 327.388 0.137 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001078093235 782293804 /nfs/dbraw/zinc/29/38/04/782293804.db2.gz FOQFJMUZKQVCEV-HUUCEWRRSA-N 1 1 343.387 0.472 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001039114804 732962220 /nfs/dbraw/zinc/96/22/20/732962220.db2.gz HGUCSBUUDCMIHR-WFASDCNBSA-N 1 1 343.431 0.934 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)C[N@@H+](C)C1CCC1 ZINC001125322266 733005670 /nfs/dbraw/zinc/00/56/70/733005670.db2.gz XVEQYEFUUSQCJF-MRXNPFEDSA-N 1 1 345.447 0.693 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(N)=O ZINC001087363404 738679116 /nfs/dbraw/zinc/67/91/16/738679116.db2.gz HZOBXRLSDYAIII-JONQDZQNSA-N 1 1 342.443 0.942 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2nncn2-c2ccccc2)c1 ZINC001125362177 733173281 /nfs/dbraw/zinc/17/32/81/733173281.db2.gz WYHWNBDNRRWJTB-UHFFFAOYSA-N 1 1 335.371 0.987 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2cnn(-c3ccccc3)n2)c1 ZINC001125369844 733178014 /nfs/dbraw/zinc/17/80/14/733178014.db2.gz CEQFVJKQCVWOIF-UHFFFAOYSA-N 1 1 335.371 0.987 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CCC)C2)nn1 ZINC000970205855 733199059 /nfs/dbraw/zinc/19/90/59/733199059.db2.gz OLBKVRRAPXVWTK-CYBMUJFWSA-N 1 1 344.423 0.470 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)n3CC)C2)nn1 ZINC000970206292 733200497 /nfs/dbraw/zinc/20/04/97/733200497.db2.gz UBRVDEDMJOPVAP-CYBMUJFWSA-N 1 1 344.423 0.388 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(OC)no3)C2)nn1 ZINC000970206564 733201724 /nfs/dbraw/zinc/20/17/24/733201724.db2.gz XUXPSDSSUQWTFW-LLVKDONJSA-N 1 1 332.364 0.465 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970271872 733287499 /nfs/dbraw/zinc/28/74/99/733287499.db2.gz XZUNKMKESDXXBD-YGRLFVJLSA-N 1 1 347.444 0.580 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2O)C1 ZINC000970376372 733435943 /nfs/dbraw/zinc/43/59/43/733435943.db2.gz ANUMYVLNRLGQEV-JONQDZQNSA-N 1 1 349.475 0.761 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]2O)C1 ZINC000970402815 733474841 /nfs/dbraw/zinc/47/48/41/733474841.db2.gz JANPDONFNBQVKE-OAGGEKHMSA-N 1 1 349.475 0.905 20 30 ECEDMO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970432514 733515397 /nfs/dbraw/zinc/51/53/97/733515397.db2.gz ZRSTVSVWIJZKLW-XKQJLSEDSA-N 1 1 325.412 0.596 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000970445920 733543221 /nfs/dbraw/zinc/54/32/21/733543221.db2.gz PSTRIWLPGITOLO-CQSZACIVSA-N 1 1 328.351 0.749 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(=O)NC)C2)nn1 ZINC000970563102 733677719 /nfs/dbraw/zinc/67/77/19/733677719.db2.gz PYPIEBYXISVSAQ-NWDGAFQWSA-N 1 1 334.424 0.039 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ncccn3)C2)C1=O ZINC000970628779 733760992 /nfs/dbraw/zinc/76/09/92/733760992.db2.gz RFUCSKXEEBGLGP-GXTWGEPZSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000973104285 738747862 /nfs/dbraw/zinc/74/78/62/738747862.db2.gz DWLKUNLPYWLSFX-YDHLFZDLSA-N 1 1 346.435 0.325 20 30 ECEDMO Cc1ccc([C@@H](C)C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)o1 ZINC001114939174 733786329 /nfs/dbraw/zinc/78/63/29/733786329.db2.gz CNHIKOQLHVIKDE-FOCJUVANSA-N 1 1 330.388 0.378 20 30 ECEDMO Cc1ccc([C@@H](C)C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)o1 ZINC001114939174 733786330 /nfs/dbraw/zinc/78/63/30/733786330.db2.gz CNHIKOQLHVIKDE-FOCJUVANSA-N 1 1 330.388 0.378 20 30 ECEDMO Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210546082 733815165 /nfs/dbraw/zinc/81/51/65/733815165.db2.gz RWTALPSOJIROGI-ZDUSSCGKSA-N 1 1 346.435 0.676 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000970764696 733927035 /nfs/dbraw/zinc/92/70/35/733927035.db2.gz WUSYWJAACMMWBF-ZBEGNZNMSA-N 1 1 344.390 0.912 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CCOCC3)C2)CC1 ZINC000970791926 733943048 /nfs/dbraw/zinc/94/30/48/733943048.db2.gz CIWLQZAAQKZKND-GOSISDBHSA-N 1 1 333.476 0.949 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ccc(C)cc3=O)[C@H]2C1 ZINC001083210125 734179222 /nfs/dbraw/zinc/17/92/22/734179222.db2.gz MGLUPTATAUTBMA-JKSUJKDBSA-N 1 1 331.416 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC000971056408 734218790 /nfs/dbraw/zinc/21/87/90/734218790.db2.gz PYNKLGZEQZIQRN-QLFBSQMISA-N 1 1 335.423 0.891 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC000971056408 734218792 /nfs/dbraw/zinc/21/87/92/734218792.db2.gz PYNKLGZEQZIQRN-QLFBSQMISA-N 1 1 335.423 0.891 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001078160191 782402787 /nfs/dbraw/zinc/40/27/87/782402787.db2.gz NZYSHFCEMHVWFP-HUUCEWRRSA-N 1 1 334.420 0.394 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C)no3)C2)C1=O ZINC000971070672 734231135 /nfs/dbraw/zinc/23/11/35/734231135.db2.gz FNAAAOFAPKVSOM-ZIAGYGMSSA-N 1 1 332.404 0.916 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000973126805 738793774 /nfs/dbraw/zinc/79/37/74/738793774.db2.gz QOZKPLVTNHTFCB-BRWVUGGUSA-N 1 1 341.411 0.376 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000973126805 738793776 /nfs/dbraw/zinc/79/37/76/738793776.db2.gz QOZKPLVTNHTFCB-BRWVUGGUSA-N 1 1 341.411 0.376 20 30 ECEDMO CCCn1nnnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)C#N ZINC001087136180 734244550 /nfs/dbraw/zinc/24/45/50/734244550.db2.gz MRLCRHSRYGFYAI-MCIONIFRSA-N 1 1 333.440 0.959 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNc1ccc(C#N)nc1 ZINC001111584551 734264416 /nfs/dbraw/zinc/26/44/16/734264416.db2.gz ASAOAHLKPHRPBU-MRXNPFEDSA-N 1 1 331.420 0.670 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(c2ccncc2C#N)CCO1 ZINC001104318165 734277618 /nfs/dbraw/zinc/27/76/18/734277618.db2.gz CMHTYQAJNALZNH-OAHLLOKOSA-N 1 1 340.387 0.480 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104323412 734304065 /nfs/dbraw/zinc/30/40/65/734304065.db2.gz PTVIQOVGRBQVCR-HNNXBMFYSA-N 1 1 331.420 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cnns3)C2)C1=O ZINC000971147925 734319507 /nfs/dbraw/zinc/31/95/07/734319507.db2.gz WOXZDDZQZAEPND-VXGBXAGGSA-N 1 1 335.433 0.471 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(c2ccncc2C#N)CCO1 ZINC001104334924 734395434 /nfs/dbraw/zinc/39/54/34/734395434.db2.gz RBNOGLWPHJPPTG-HNNXBMFYSA-N 1 1 340.387 0.480 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 ZINC001104338667 734438477 /nfs/dbraw/zinc/43/84/77/734438477.db2.gz ZUQRPWWORIELBC-AWEZNQCLSA-N 1 1 346.435 0.400 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 ZINC001098550351 734448892 /nfs/dbraw/zinc/44/88/92/734448892.db2.gz JLNKBFGXWURPKQ-INIZCTEOSA-N 1 1 337.464 0.859 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cn(C)cn3)C2)C1=O ZINC000971342539 734458760 /nfs/dbraw/zinc/45/87/60/734458760.db2.gz CPJXJQUCFCHMJN-HIFRSBDPSA-N 1 1 331.420 0.353 20 30 ECEDMO N#Cc1c(F)cccc1N1CCO[C@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001104349439 734519576 /nfs/dbraw/zinc/51/95/76/734519576.db2.gz GIGVPWZVWGWLHP-CYBMUJFWSA-N 1 1 343.362 0.985 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@@H+]2CC(N)=O)c1 ZINC001025219311 738824287 /nfs/dbraw/zinc/82/42/87/738824287.db2.gz VDEJOQBMBWXVEC-GJZGRUSLSA-N 1 1 329.404 0.831 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3nccn3CC)C2)C1=O ZINC000971423044 734559681 /nfs/dbraw/zinc/55/96/81/734559681.db2.gz KKSAKTXTIYRONZ-LSDHHAIUSA-N 1 1 345.447 0.836 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnn3C3CCOCC3)[C@H]2C1 ZINC001083219238 734648804 /nfs/dbraw/zinc/64/88/04/734648804.db2.gz JBDJHTBGTQYYAA-DLBZAZTESA-N 1 1 346.431 0.946 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnn3C3CCOCC3)[C@H]2C1 ZINC001083219238 734648806 /nfs/dbraw/zinc/64/88/06/734648806.db2.gz JBDJHTBGTQYYAA-DLBZAZTESA-N 1 1 346.431 0.946 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)CCO1 ZINC000971512199 734698462 /nfs/dbraw/zinc/69/84/62/734698462.db2.gz ZTPXNPREFNJPCA-ZBFHGGJFSA-N 1 1 333.432 0.180 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)CCO1 ZINC000971512199 734698464 /nfs/dbraw/zinc/69/84/64/734698464.db2.gz ZTPXNPREFNJPCA-ZBFHGGJFSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C)nn3)C2)C1=O ZINC000971522148 734709668 /nfs/dbraw/zinc/70/96/68/734709668.db2.gz IQEXNRCSGVMARN-HOCLYGCPSA-N 1 1 343.431 0.718 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000971568104 734760154 /nfs/dbraw/zinc/76/01/54/734760154.db2.gz QYPAREDCBWALQU-UHOFOFEASA-N 1 1 341.415 0.653 20 30 ECEDMO C[NH+]=C(NCC(=O)Nc1cccnc1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261951086 734866344 /nfs/dbraw/zinc/86/63/44/734866344.db2.gz HKLOFXSURDHPSL-IUODEOHRSA-N 1 1 330.436 0.668 20 30 ECEDMO C=CCN1CC[C@H](N(C)[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC000971676601 734941070 /nfs/dbraw/zinc/94/10/70/734941070.db2.gz GBEYKZUTTCBUHY-HOTGVXAUSA-N 1 1 348.491 0.790 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@H]2C1 ZINC001083224054 735035578 /nfs/dbraw/zinc/03/55/78/735035578.db2.gz CZDPBKPJTPRFJA-UONOGXRCSA-N 1 1 343.387 0.042 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@H]2C1 ZINC001083224054 735035582 /nfs/dbraw/zinc/03/55/82/735035582.db2.gz CZDPBKPJTPRFJA-UONOGXRCSA-N 1 1 343.387 0.042 20 30 ECEDMO Cc1nccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001078194450 782471026 /nfs/dbraw/zinc/47/10/26/782471026.db2.gz LBHKENFYSUEXFB-IAGOWNOFSA-N 1 1 337.383 0.632 20 30 ECEDMO Cc1nccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001078194450 782471034 /nfs/dbraw/zinc/47/10/34/782471034.db2.gz LBHKENFYSUEXFB-IAGOWNOFSA-N 1 1 337.383 0.632 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001078197214 782476234 /nfs/dbraw/zinc/47/62/34/782476234.db2.gz HVEQUMLKYNRMOJ-UKRRQHHQSA-N 1 1 329.404 0.697 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC000972082642 735623568 /nfs/dbraw/zinc/62/35/68/735623568.db2.gz PNPAHHTWLMCYRN-QWHCGFSZSA-N 1 1 347.419 0.059 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000987930935 751349171 /nfs/dbraw/zinc/34/91/71/751349171.db2.gz RSRMSYXNDBDGAJ-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(C#N)ccc3F)C2)n1 ZINC000972116143 735661584 /nfs/dbraw/zinc/66/15/84/735661584.db2.gz NTGFZVVZRVNHKS-CYBMUJFWSA-N 1 1 343.366 0.567 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(C#N)ccc3F)C2)n1 ZINC000972116143 735661588 /nfs/dbraw/zinc/66/15/88/735661588.db2.gz NTGFZVVZRVNHKS-CYBMUJFWSA-N 1 1 343.366 0.567 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001098566585 735840409 /nfs/dbraw/zinc/84/04/09/735840409.db2.gz CQFBWEYBHHAMDH-MRXNPFEDSA-N 1 1 325.453 0.178 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 ZINC000972261146 735856411 /nfs/dbraw/zinc/85/64/11/735856411.db2.gz HGRNJJNGIWLKLV-QGZVFWFLSA-N 1 1 333.436 0.938 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccn(C)c(=O)c1)CCO2 ZINC000972296236 735903526 /nfs/dbraw/zinc/90/35/26/735903526.db2.gz AXKZPSPCPMKCKA-KBXCAEBGSA-N 1 1 344.415 0.348 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccn(C)c(=O)c1)CCO2 ZINC000972296236 735903528 /nfs/dbraw/zinc/90/35/28/735903528.db2.gz AXKZPSPCPMKCKA-KBXCAEBGSA-N 1 1 344.415 0.348 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001041962939 782500337 /nfs/dbraw/zinc/50/03/37/782500337.db2.gz BLZZVBFFPFZXMK-ZDUSSCGKSA-N 1 1 332.404 0.416 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC000972361532 736015115 /nfs/dbraw/zinc/01/51/15/736015115.db2.gz GBNRKHRFNNNAQC-LSDHHAIUSA-N 1 1 345.447 0.960 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3nc(C)ccc3C#N)C2)C1 ZINC001058909117 751365954 /nfs/dbraw/zinc/36/59/54/751365954.db2.gz WHWTZVBYUARXCR-JKSUJKDBSA-N 1 1 343.431 0.995 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3nc(C)ccc3C#N)C2)C1 ZINC001058909117 751365960 /nfs/dbraw/zinc/36/59/60/751365960.db2.gz WHWTZVBYUARXCR-JKSUJKDBSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3nnc(C)[nH]3)C2)C1 ZINC000972382594 736050338 /nfs/dbraw/zinc/05/03/38/736050338.db2.gz RVYYHEBDAHJTIN-KRWDZBQOSA-N 1 1 333.436 0.925 20 30 ECEDMO C#CCCN1CCO[C@]2(CCN(C(=O)c3c[nH]cc4ncnc3-4)C2)C1 ZINC000972393649 736110928 /nfs/dbraw/zinc/11/09/28/736110928.db2.gz ZFMVBSAYGKKPAP-GOSISDBHSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncc4nc[nH]c43)C2)C1 ZINC000972393649 736110929 /nfs/dbraw/zinc/11/09/29/736110929.db2.gz ZFMVBSAYGKKPAP-GOSISDBHSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncc4nc[nH]c43)C2)C1 ZINC000972393649 736110930 /nfs/dbraw/zinc/11/09/30/736110930.db2.gz ZFMVBSAYGKKPAP-GOSISDBHSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000972407254 736135495 /nfs/dbraw/zinc/13/54/95/736135495.db2.gz CZTWXNZQKFIDJA-YJBOKZPZSA-N 1 1 328.416 0.697 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972422065 736165894 /nfs/dbraw/zinc/16/58/94/736165894.db2.gz LLLHEIYGXYKEJB-SFHVURJKSA-N 1 1 346.431 0.906 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972422065 736165898 /nfs/dbraw/zinc/16/58/98/736165898.db2.gz LLLHEIYGXYKEJB-SFHVURJKSA-N 1 1 346.431 0.906 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)N2CCCCC2=O)CC1 ZINC001098571627 736179792 /nfs/dbraw/zinc/17/97/92/736179792.db2.gz SSTKNBRKEYABRZ-MRXNPFEDSA-N 1 1 349.475 0.696 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)C1=O ZINC000972434599 736186370 /nfs/dbraw/zinc/18/63/70/736186370.db2.gz XPUMCCSGWJWCPP-LSDHHAIUSA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972440801 736199783 /nfs/dbraw/zinc/19/97/83/736199783.db2.gz LJHMUNSLENPWSO-AEFFLSMTSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)C1 ZINC000972440800 736200170 /nfs/dbraw/zinc/20/01/70/736200170.db2.gz LIBKHSWBEKBOKW-VQIMIIECSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)C1 ZINC000972440800 736200172 /nfs/dbraw/zinc/20/01/72/736200172.db2.gz LIBKHSWBEKBOKW-VQIMIIECSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3ccccc3)C2)C1 ZINC000972449227 736226835 /nfs/dbraw/zinc/22/68/35/736226835.db2.gz IQFWXQPBZCKZTF-LJQANCHMSA-N 1 1 341.411 0.952 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3ccccc3)C2)C1 ZINC000972449227 736226839 /nfs/dbraw/zinc/22/68/39/736226839.db2.gz IQFWXQPBZCKZTF-LJQANCHMSA-N 1 1 341.411 0.952 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972456028 736245060 /nfs/dbraw/zinc/24/50/60/736245060.db2.gz PXWBCOYGAGPNKY-YJBOKZPZSA-N 1 1 348.447 0.104 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972456028 736245062 /nfs/dbraw/zinc/24/50/62/736245062.db2.gz PXWBCOYGAGPNKY-YJBOKZPZSA-N 1 1 348.447 0.104 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 ZINC000972458851 736253272 /nfs/dbraw/zinc/25/32/72/736253272.db2.gz OLHOSSRDCBMDGX-MAUKXSAKSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3nccn3C)C2)C1 ZINC000972481084 736309913 /nfs/dbraw/zinc/30/99/13/736309913.db2.gz XNEROWYHCTUPMJ-SFHVURJKSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3nccn3C)C2)C1 ZINC000972481084 736309916 /nfs/dbraw/zinc/30/99/16/736309916.db2.gz XNEROWYHCTUPMJ-SFHVURJKSA-N 1 1 330.432 0.679 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972493863 736389532 /nfs/dbraw/zinc/38/95/32/736389532.db2.gz KKCFVQNTDUJBBQ-KRWDZBQOSA-N 1 1 342.403 0.617 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972493863 736389534 /nfs/dbraw/zinc/38/95/34/736389534.db2.gz KKCFVQNTDUJBBQ-KRWDZBQOSA-N 1 1 342.403 0.617 20 30 ECEDMO C#CC[N@@H+](CCO)C1CCN(C(=O)CS(=O)(=O)CCCC)CC1 ZINC001098575363 736495430 /nfs/dbraw/zinc/49/54/30/736495430.db2.gz LZMQOIUWKDRVNK-UHFFFAOYSA-N 1 1 344.477 0.120 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)CCCC)CC1 ZINC001098575363 736495431 /nfs/dbraw/zinc/49/54/31/736495431.db2.gz LZMQOIUWKDRVNK-UHFFFAOYSA-N 1 1 344.477 0.120 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC1 ZINC001098575529 736504945 /nfs/dbraw/zinc/50/49/45/736504945.db2.gz SXHRYFCZMJUIRJ-CYBMUJFWSA-N 1 1 332.466 0.138 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCCNC3=O)C2)nn1 ZINC000972517295 736529089 /nfs/dbraw/zinc/52/90/89/736529089.db2.gz PEHARNGODKPOMS-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001039573563 736566448 /nfs/dbraw/zinc/56/64/48/736566448.db2.gz IWDCNZZSSVZTEO-QAPCUYQASA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000972524663 736569668 /nfs/dbraw/zinc/56/96/68/736569668.db2.gz VHSOTMICTGEISY-QFBILLFUSA-N 1 1 342.443 0.690 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@@]3(C1)CN(CC#N)CCO3)CC2 ZINC000972525183 736570221 /nfs/dbraw/zinc/57/02/21/736570221.db2.gz ZPPUBSUICDEJJY-QAPCUYQASA-N 1 1 343.431 0.581 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001023208311 736585697 /nfs/dbraw/zinc/58/56/97/736585697.db2.gz OVZHBBQHWNVSPE-BRWVUGGUSA-N 1 1 341.411 0.064 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cnccn3)C2)C1=O ZINC001023209592 736587906 /nfs/dbraw/zinc/58/79/06/736587906.db2.gz PCUZVRBCSCIOTM-GDBMZVCRSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001023277260 736639126 /nfs/dbraw/zinc/63/91/26/736639126.db2.gz LTHWAHHHZCSYAJ-GDBMZVCRSA-N 1 1 345.447 0.947 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCC(=O)N3)[C@H]2C1 ZINC001083259655 736648087 /nfs/dbraw/zinc/64/80/87/736648087.db2.gz LTTOBJDOYCKNRG-OWCLPIDISA-N 1 1 335.448 0.923 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023298457 736660928 /nfs/dbraw/zinc/66/09/28/736660928.db2.gz WTDQKKFCLHJDJG-OLZOCXBDSA-N 1 1 331.420 0.805 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c[nH]1 ZINC001023315097 736675356 /nfs/dbraw/zinc/67/53/56/736675356.db2.gz SEXKYENHTLQATD-CQSZACIVSA-N 1 1 343.431 0.951 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c(cn3)OCCC4)[C@H]2C1 ZINC001083259965 736690995 /nfs/dbraw/zinc/69/09/95/736690995.db2.gz AHQCKJXWDXSHJH-FUHWJXTLSA-N 1 1 341.411 0.955 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c(cn3)OCCC4)[C@H]2C1 ZINC001083259965 736690996 /nfs/dbraw/zinc/69/09/96/736690996.db2.gz AHQCKJXWDXSHJH-FUHWJXTLSA-N 1 1 341.411 0.955 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CSC)C1 ZINC001059847044 751377315 /nfs/dbraw/zinc/37/73/15/751377315.db2.gz KVNCMAPTBBIZIJ-GJZGRUSLSA-N 1 1 337.489 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CSC)C1 ZINC001059847044 751377325 /nfs/dbraw/zinc/37/73/25/751377325.db2.gz KVNCMAPTBBIZIJ-GJZGRUSLSA-N 1 1 337.489 0.802 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001023444371 736841212 /nfs/dbraw/zinc/84/12/12/736841212.db2.gz JSPXIIOIYTZZJY-CQSZACIVSA-N 1 1 338.473 0.663 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023448562 736852075 /nfs/dbraw/zinc/85/20/75/736852075.db2.gz RXWXVZUBWHLICM-KGLIPLIRSA-N 1 1 333.436 0.950 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@]2(C1)CN(CC#N)CCO2 ZINC000972574429 736892189 /nfs/dbraw/zinc/89/21/89/736892189.db2.gz ZRYPDVDROHNLDE-QGZVFWFLSA-N 1 1 331.420 0.833 20 30 ECEDMO C#CCN1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000972574031 736895422 /nfs/dbraw/zinc/89/54/22/736895422.db2.gz WIJKOTUYBADVOA-GOSISDBHSA-N 1 1 330.432 0.943 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(OC)n3)C2)C1 ZINC000972582233 736945117 /nfs/dbraw/zinc/94/51/17/736945117.db2.gz IVEDUFAKOKROAO-KRWDZBQOSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(OC)n3)C2)C1 ZINC000972582233 736945119 /nfs/dbraw/zinc/94/51/19/736945119.db2.gz IVEDUFAKOKROAO-KRWDZBQOSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972584781 736962759 /nfs/dbraw/zinc/96/27/59/736962759.db2.gz BERQQZVIJXCMFA-LJQANCHMSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972584781 736962765 /nfs/dbraw/zinc/96/27/65/736962765.db2.gz BERQQZVIJXCMFA-LJQANCHMSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCCOCC(=O)N1CCC([N@H+](CCO)Cc2cnon2)CC1 ZINC001098577737 736990974 /nfs/dbraw/zinc/99/09/74/736990974.db2.gz QAWRHCULLVRSNA-UHFFFAOYSA-N 1 1 338.408 0.448 20 30 ECEDMO C=CCCOCC(=O)N1CCC([N@@H+](CCO)Cc2cnon2)CC1 ZINC001098577737 736990979 /nfs/dbraw/zinc/99/09/79/736990979.db2.gz QAWRHCULLVRSNA-UHFFFAOYSA-N 1 1 338.408 0.448 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001023558918 737009600 /nfs/dbraw/zinc/00/96/00/737009600.db2.gz XIHDVCZSPXCXPO-LSDHHAIUSA-N 1 1 329.448 0.772 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)c1 ZINC001023583414 737040065 /nfs/dbraw/zinc/04/00/65/737040065.db2.gz HBDXXDLHOSXCNK-HOCLYGCPSA-N 1 1 328.416 0.769 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)c1 ZINC001023583415 737040278 /nfs/dbraw/zinc/04/02/78/737040278.db2.gz HBDXXDLHOSXCNK-ZBFHGGJFSA-N 1 1 328.416 0.769 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)c1 ZINC001023583412 737040474 /nfs/dbraw/zinc/04/04/74/737040474.db2.gz HBDXXDLHOSXCNK-GDBMZVCRSA-N 1 1 328.416 0.769 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972603571 737070130 /nfs/dbraw/zinc/07/01/30/737070130.db2.gz YAAXRCQWUDXGDU-GOSISDBHSA-N 1 1 346.431 0.756 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001023608016 737071925 /nfs/dbraw/zinc/07/19/25/737071925.db2.gz QMLGMCFLQOIHGZ-CQSZACIVSA-N 1 1 330.432 0.816 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC000972635059 737183642 /nfs/dbraw/zinc/18/36/42/737183642.db2.gz OVWHGKSPNIOCTM-KRWDZBQOSA-N 1 1 343.387 0.538 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC000972635059 737183645 /nfs/dbraw/zinc/18/36/45/737183645.db2.gz OVWHGKSPNIOCTM-KRWDZBQOSA-N 1 1 343.387 0.538 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CCn3cncn3)C2)cn1 ZINC001023710544 737218634 /nfs/dbraw/zinc/21/86/34/737218634.db2.gz NESDSVHUALDZGC-HNNXBMFYSA-N 1 1 338.415 0.796 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)nc1 ZINC001023709682 737228435 /nfs/dbraw/zinc/22/84/35/737228435.db2.gz ZBPWVCYSVMIUEJ-HOCLYGCPSA-N 1 1 328.416 0.769 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972644279 737232424 /nfs/dbraw/zinc/23/24/24/737232424.db2.gz WLDKCLAWKUPVSU-FUHWJXTLSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972644279 737232427 /nfs/dbraw/zinc/23/24/27/737232427.db2.gz WLDKCLAWKUPVSU-FUHWJXTLSA-N 1 1 333.432 0.324 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067463833 737321370 /nfs/dbraw/zinc/32/13/70/737321370.db2.gz PDBGCWCQQOTNDF-HUUCEWRRSA-N 1 1 325.453 0.836 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001023763497 737325761 /nfs/dbraw/zinc/32/57/61/737325761.db2.gz PKSWKVVVWMUGDA-AWEZNQCLSA-N 1 1 348.451 0.384 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN([C@H](C)C(N)=O)C2)CC1 ZINC001023761927 737326385 /nfs/dbraw/zinc/32/63/85/737326385.db2.gz MVLBARDEDFUJEW-CABCVRRESA-N 1 1 334.464 0.034 20 30 ECEDMO C=CCCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067464193 737327278 /nfs/dbraw/zinc/32/72/78/737327278.db2.gz YYYZRMJAYGCTCS-HNNXBMFYSA-N 1 1 325.453 0.838 20 30 ECEDMO C=C(Cl)CN1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972676946 737356323 /nfs/dbraw/zinc/35/63/23/737356323.db2.gz MSRZLASCKGZMKZ-GOEBONIOSA-N 1 1 327.856 0.994 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972700566 737455528 /nfs/dbraw/zinc/45/55/28/737455528.db2.gz ZFTQTQGHIZMOHK-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001024088489 737687692 /nfs/dbraw/zinc/68/76/92/737687692.db2.gz DWYFJOLTBWFEQD-KBPBESRZSA-N 1 1 346.435 0.342 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cn[nH]c3)C(C)(C)C2)C1=O ZINC000972834529 737758294 /nfs/dbraw/zinc/75/82/94/737758294.db2.gz KGAPXPQISMXRAI-KBPBESRZSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cn[nH]c3)C(C)(C)C2)C1=O ZINC000972834529 737758295 /nfs/dbraw/zinc/75/82/95/737758295.db2.gz KGAPXPQISMXRAI-KBPBESRZSA-N 1 1 331.420 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC000972835509 737759359 /nfs/dbraw/zinc/75/93/59/737759359.db2.gz XBHSRWWQNNZMNW-FRRDWIJNSA-N 1 1 325.359 0.408 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC000972835509 737759363 /nfs/dbraw/zinc/75/93/63/737759363.db2.gz XBHSRWWQNNZMNW-FRRDWIJNSA-N 1 1 325.359 0.408 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H](n2ccnn2)C1 ZINC001069994982 790290953 /nfs/dbraw/zinc/29/09/53/790290953.db2.gz BSMFGHBQVCOLOI-CVEARBPZSA-N 1 1 342.403 0.913 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H](n2ccnn2)C1 ZINC001069994982 790290957 /nfs/dbraw/zinc/29/09/57/790290957.db2.gz BSMFGHBQVCOLOI-CVEARBPZSA-N 1 1 342.403 0.913 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001024500930 738030041 /nfs/dbraw/zinc/03/00/41/738030041.db2.gz BCDQQBLNDKZPRA-QLFBSQMISA-N 1 1 335.448 0.515 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC001098587178 738079510 /nfs/dbraw/zinc/07/95/10/738079510.db2.gz VZNGTBMIVQOPDR-OAHLLOKOSA-N 1 1 332.448 0.832 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CN=NC3=O)C(C)(C)[C@H]21 ZINC001087282319 738098674 /nfs/dbraw/zinc/09/86/74/738098674.db2.gz WLPFPVXMGZCMOC-SNPRPXQTSA-N 1 1 331.420 0.612 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001024567610 738115778 /nfs/dbraw/zinc/11/57/78/738115778.db2.gz DYFCUVAEQYQYHY-ZFWWWQNUSA-N 1 1 329.404 0.360 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001024567656 738115879 /nfs/dbraw/zinc/11/58/79/738115879.db2.gz GQZDVIYBABZUFI-ZFWWWQNUSA-N 1 1 329.404 0.360 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001024572866 738120098 /nfs/dbraw/zinc/12/00/98/738120098.db2.gz VYSTZBAKQAOYOS-KURKYZTESA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001024572866 738120100 /nfs/dbraw/zinc/12/01/00/738120100.db2.gz VYSTZBAKQAOYOS-KURKYZTESA-N 1 1 349.475 0.470 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001069997784 790293421 /nfs/dbraw/zinc/29/34/21/790293421.db2.gz WGYZZJYOLABNOZ-OCCSQVGLSA-N 1 1 345.407 0.339 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC001024661350 738205695 /nfs/dbraw/zinc/20/56/95/738205695.db2.gz CXAWRWSNZJPXNM-XHSDSOJGSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC001024661350 738205699 /nfs/dbraw/zinc/20/56/99/738205699.db2.gz CXAWRWSNZJPXNM-XHSDSOJGSA-N 1 1 335.448 0.827 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001024663807 738209145 /nfs/dbraw/zinc/20/91/45/738209145.db2.gz MDIHTGMPSPFEQN-CABCVRRESA-N 1 1 330.436 0.620 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccccc3=O)[C@H]2C1 ZINC001083270825 738211614 /nfs/dbraw/zinc/21/16/14/738211614.db2.gz BJDSUBKWHPQUIY-JKSUJKDBSA-N 1 1 331.416 0.726 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087312305 738245024 /nfs/dbraw/zinc/24/50/24/738245024.db2.gz CFENYXMPMOWTEU-WQVCFCJDSA-N 1 1 346.431 0.167 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001024736000 738258431 /nfs/dbraw/zinc/25/84/31/738258431.db2.gz YZVCNGJHFGXTHD-GJZGRUSLSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001024736000 738258432 /nfs/dbraw/zinc/25/84/32/738258432.db2.gz YZVCNGJHFGXTHD-GJZGRUSLSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069999351 790295595 /nfs/dbraw/zinc/29/55/95/790295595.db2.gz BAXDILWDYNFONT-PWSUYJOCSA-N 1 1 332.389 0.119 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001025247863 738924545 /nfs/dbraw/zinc/92/45/45/738924545.db2.gz RIOGUJVJZQLQJH-CABCVRRESA-N 1 1 344.415 0.428 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025244774 738929513 /nfs/dbraw/zinc/92/95/13/738929513.db2.gz LFRINCIGGUKFQS-GJZGRUSLSA-N 1 1 333.436 0.613 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(=O)n(C)n1 ZINC001025294488 739014060 /nfs/dbraw/zinc/01/40/60/739014060.db2.gz BKCYJMYVJKRUBC-HZPDHXFCSA-N 1 1 328.416 0.873 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000973433655 739267116 /nfs/dbraw/zinc/26/71/16/739267116.db2.gz CBBAKNHGUNVOIG-BFYDXBDKSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000973465899 739334918 /nfs/dbraw/zinc/33/49/18/739334918.db2.gz BYGZDQLIJUXTNQ-DJIMGWMZSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)nn1 ZINC001105359522 751440562 /nfs/dbraw/zinc/44/05/62/751440562.db2.gz LVARTEWMGJDQLN-AWEZNQCLSA-N 1 1 346.435 0.338 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC000973545384 739496267 /nfs/dbraw/zinc/49/62/67/739496267.db2.gz YFLVYWWRTNXQFL-JQFCIGGWSA-N 1 1 340.427 0.924 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001028197931 751463943 /nfs/dbraw/zinc/46/39/43/751463943.db2.gz VBLHYRIGXLTBBC-BRWVUGGUSA-N 1 1 330.432 0.892 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)N3CCCCC3=O)[C@H]2C1 ZINC001083282906 739656850 /nfs/dbraw/zinc/65/68/50/739656850.db2.gz YKPRDSUPCSDGOD-HRCADAONSA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)N3CCCCC3=O)[C@H]2C1 ZINC001083282906 739656851 /nfs/dbraw/zinc/65/68/51/739656851.db2.gz YKPRDSUPCSDGOD-HRCADAONSA-N 1 1 335.448 0.875 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001025545216 739706401 /nfs/dbraw/zinc/70/64/01/739706401.db2.gz IVZGIXCBYRRMOA-HIFRSBDPSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001025545216 739706404 /nfs/dbraw/zinc/70/64/04/739706404.db2.gz IVZGIXCBYRRMOA-HIFRSBDPSA-N 1 1 326.462 0.661 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nc1 ZINC001025597681 739759596 /nfs/dbraw/zinc/75/95/96/739759596.db2.gz RYPAIUJMUKDOOI-GDBMZVCRSA-N 1 1 342.443 0.981 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025596443 739760984 /nfs/dbraw/zinc/76/09/84/739760984.db2.gz CLZLKIVIPHHPQO-KGLIPLIRSA-N 1 1 344.415 0.409 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001025630767 739796947 /nfs/dbraw/zinc/79/69/47/739796947.db2.gz VSSUYWKMQJXCBS-KBPBESRZSA-N 1 1 348.451 0.560 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC001006528244 751483552 /nfs/dbraw/zinc/48/35/52/751483552.db2.gz HIUYWKVNNBRXBJ-DZGCQCFKSA-N 1 1 340.427 0.591 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)C(=O)NC)C2 ZINC000982023666 751487379 /nfs/dbraw/zinc/48/73/79/751487379.db2.gz QPMNHQNYKJCYGO-KFWWJZLASA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000988062678 751488408 /nfs/dbraw/zinc/48/84/08/751488408.db2.gz NYVQZSMXXTWJFS-IXDOHACOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000988062678 751488411 /nfs/dbraw/zinc/48/84/11/751488411.db2.gz NYVQZSMXXTWJFS-IXDOHACOSA-N 1 1 347.459 0.570 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N ZINC001058658755 739901036 /nfs/dbraw/zinc/90/10/36/739901036.db2.gz KTWZIVRYLLQILY-ZDUSSCGKSA-N 1 1 335.408 0.103 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCCO2)C1=O ZINC001025740558 739909558 /nfs/dbraw/zinc/90/95/58/739909558.db2.gz SCLGSOATEJIJMA-XFIYOXNOSA-N 1 1 333.432 0.389 20 30 ECEDMO CC(C)(F)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112034458 740021274 /nfs/dbraw/zinc/02/12/74/740021274.db2.gz JYFPJKISOYMREJ-RKDXNWHRSA-N 1 1 338.305 0.353 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001068464017 790320624 /nfs/dbraw/zinc/32/06/24/790320624.db2.gz UJOHDDZMMSYIJX-HUUCEWRRSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2ncc[nH]2)C1 ZINC000988085645 751514680 /nfs/dbraw/zinc/51/46/80/751514680.db2.gz DWBINLCYNPAJTO-CABCVRRESA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2ncc[nH]2)C1 ZINC000988085645 751514684 /nfs/dbraw/zinc/51/46/84/751514684.db2.gz DWBINLCYNPAJTO-CABCVRRESA-N 1 1 343.431 0.428 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CCO2 ZINC001068463253 790317622 /nfs/dbraw/zinc/31/76/22/790317622.db2.gz CUBMZEBFYMUSOQ-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)NC(C)=O)C2)nn1 ZINC001098605432 740289885 /nfs/dbraw/zinc/28/98/85/740289885.db2.gz ZCBOAEKCDVYMJW-WFASDCNBSA-N 1 1 334.424 0.242 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@@H](C)O2)C1=O ZINC001026058561 740345476 /nfs/dbraw/zinc/34/54/76/740345476.db2.gz KCIPDYPKAHOTJP-XMEMRUQMSA-N 1 1 333.432 0.387 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N(C)C)C2 ZINC000982064539 751545465 /nfs/dbraw/zinc/54/54/65/751545465.db2.gz RNWYEIXMCOCQDI-RDJZCZTQSA-N 1 1 349.475 0.980 20 30 ECEDMO Cc1nc(N(C)CCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001112055894 740672860 /nfs/dbraw/zinc/67/28/60/740672860.db2.gz XVLQDSOSGGVHHX-MRXNPFEDSA-N 1 1 345.447 0.877 20 30 ECEDMO Cc1nc(N(C)CCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001112055894 740672864 /nfs/dbraw/zinc/67/28/64/740672864.db2.gz XVLQDSOSGGVHHX-MRXNPFEDSA-N 1 1 345.447 0.877 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000973989083 740735562 /nfs/dbraw/zinc/73/55/62/740735562.db2.gz MTFJBVAPBYXTOX-IJEWVQPXSA-N 1 1 346.431 0.382 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000973989083 740735564 /nfs/dbraw/zinc/73/55/64/740735564.db2.gz MTFJBVAPBYXTOX-IJEWVQPXSA-N 1 1 346.431 0.382 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974042124 740831848 /nfs/dbraw/zinc/83/18/48/740831848.db2.gz YREISBZGISUXMM-ZZVYKPCYSA-N 1 1 329.404 0.461 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974045923 740835365 /nfs/dbraw/zinc/83/53/65/740835365.db2.gz UWFWUPCUISBPLU-FPMFFAJLSA-N 1 1 329.404 0.748 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000974049300 740839401 /nfs/dbraw/zinc/83/94/01/740839401.db2.gz HVPBJLHQZPPIOH-FPMFFAJLSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC000988154975 751591223 /nfs/dbraw/zinc/59/12/23/751591223.db2.gz AJCXEDXLTMWSSI-GJZGRUSLSA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC000988154975 751591228 /nfs/dbraw/zinc/59/12/28/751591228.db2.gz AJCXEDXLTMWSSI-GJZGRUSLSA-N 1 1 344.415 0.693 20 30 ECEDMO CC(C)C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104925711 740953475 /nfs/dbraw/zinc/95/34/75/740953475.db2.gz AOTDOFAZPZTPFB-DZGCQCFKSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104925711 740953477 /nfs/dbraw/zinc/95/34/77/740953477.db2.gz AOTDOFAZPZTPFB-DZGCQCFKSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104925714 740953652 /nfs/dbraw/zinc/95/36/52/740953652.db2.gz AOTDOFAZPZTPFB-ZFWWWQNUSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104925714 740953656 /nfs/dbraw/zinc/95/36/56/740953656.db2.gz AOTDOFAZPZTPFB-ZFWWWQNUSA-N 1 1 346.435 0.622 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nnc(C)s1 ZINC001038365076 740966566 /nfs/dbraw/zinc/96/65/66/740966566.db2.gz ASLCPJRHWQMLAE-KGLIPLIRSA-N 1 1 333.461 0.635 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nnc(C)s1 ZINC001038365076 740966568 /nfs/dbraw/zinc/96/65/68/740966568.db2.gz ASLCPJRHWQMLAE-KGLIPLIRSA-N 1 1 333.461 0.635 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000974186827 741075559 /nfs/dbraw/zinc/07/55/59/741075559.db2.gz CBDLECMWEKFGFH-VDNDLQMASA-N 1 1 340.427 0.780 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nocc2C)C1 ZINC000974263346 741193246 /nfs/dbraw/zinc/19/32/46/741193246.db2.gz QRTDSPGIQCKZEN-MJBXVCDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nocc2C)C1 ZINC000974263346 741193247 /nfs/dbraw/zinc/19/32/47/741193247.db2.gz QRTDSPGIQCKZEN-MJBXVCDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000974263365 741193362 /nfs/dbraw/zinc/19/33/62/741193362.db2.gz SDENCAXCBPQZQS-YVSFHVDLSA-N 1 1 346.475 0.332 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001006645664 751616554 /nfs/dbraw/zinc/61/65/54/751616554.db2.gz QVMGNLSUJKRRSW-HOTGVXAUSA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001006645664 751616559 /nfs/dbraw/zinc/61/65/59/751616559.db2.gz QVMGNLSUJKRRSW-HOTGVXAUSA-N 1 1 344.415 0.301 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H](C)C(=O)NC)C3)nc1 ZINC000982122720 751617656 /nfs/dbraw/zinc/61/76/56/751617656.db2.gz OFSHNYONFVPHJA-AWEZNQCLSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCCO3)C2)nn1 ZINC001105169915 741434632 /nfs/dbraw/zinc/43/46/32/741434632.db2.gz OSWRYUUPZCGJAD-MRXNPFEDSA-N 1 1 349.435 0.523 20 30 ECEDMO COC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001105207221 741473609 /nfs/dbraw/zinc/47/36/09/741473609.db2.gz JNEBEHXKEXIZBU-NSHDSACASA-N 1 1 343.391 0.299 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001105218141 741483179 /nfs/dbraw/zinc/48/31/79/741483179.db2.gz ZYHRTQCJRDWVNN-UHFFFAOYSA-N 1 1 325.376 0.841 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(=O)n(CCC)n3)C2)C1 ZINC000982146602 751644146 /nfs/dbraw/zinc/64/41/46/751644146.db2.gz WJUBGINDQANJHD-UHFFFAOYSA-N 1 1 328.416 0.825 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)CC(C)(C)O)C2)nn1 ZINC001105223816 741501757 /nfs/dbraw/zinc/50/17/57/741501757.db2.gz KBBFIWKLLVXVNA-UHFFFAOYSA-N 1 1 337.424 0.115 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240502 741531579 /nfs/dbraw/zinc/53/15/79/741531579.db2.gz PNTYZNBMTXQUBW-HOCLYGCPSA-N 1 1 344.463 0.811 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105259934 741583296 /nfs/dbraw/zinc/58/32/96/741583296.db2.gz SJJFRLAUWFYHBZ-OAHLLOKOSA-N 1 1 345.451 0.537 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264623 741595879 /nfs/dbraw/zinc/59/58/79/741595879.db2.gz NWYSTCKIQUMZDV-HNNXBMFYSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3CCOC)C2)nn1 ZINC001105268312 741610181 /nfs/dbraw/zinc/61/01/81/741610181.db2.gz IWFQGNQISXEUSE-UHFFFAOYSA-N 1 1 345.407 0.094 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268427 741610502 /nfs/dbraw/zinc/61/05/02/741610502.db2.gz NKDPBSVODSOOPC-RDJZCZTQSA-N 1 1 342.447 0.401 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268428 741610793 /nfs/dbraw/zinc/61/07/93/741610793.db2.gz NKDPBSVODSOOPC-WBVHZDCISA-N 1 1 342.447 0.401 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CO[C@H](C)C3)C2)nn1 ZINC001105270974 741615659 /nfs/dbraw/zinc/61/56/59/741615659.db2.gz RLDWYBIQPUMBSG-ZIAGYGMSSA-N 1 1 349.435 0.379 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)nnc3CC)C2)nn1 ZINC001105272401 741617850 /nfs/dbraw/zinc/61/78/50/741617850.db2.gz KLRMYBOMLCPMJS-UHFFFAOYSA-N 1 1 341.419 0.912 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCc4nccn4C3)C2)nn1 ZINC001105273034 741618523 /nfs/dbraw/zinc/61/85/23/741618523.db2.gz XGFVLCVXSOPELX-ZDUSSCGKSA-N 1 1 341.419 0.396 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C(N)=O)o3)C2)nn1 ZINC001105278384 741633031 /nfs/dbraw/zinc/63/30/31/741633031.db2.gz ACWKUDVJKXJANS-UHFFFAOYSA-N 1 1 344.375 0.333 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)nn1 ZINC001105281004 741639108 /nfs/dbraw/zinc/63/91/08/741639108.db2.gz PMTYBRYHDSGIKE-KRWDZBQOSA-N 1 1 339.399 0.941 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OCC)[C@@H]3CCOC3)C2)nn1 ZINC001105292255 741655641 /nfs/dbraw/zinc/65/56/41/741655641.db2.gz HHUOWKXOWUTMGC-CJNGLKHVSA-N 1 1 349.435 0.379 20 30 ECEDMO CC(C)[C@H](CNC(=O)CCc1cnc[nH]1)Nc1ccnc(C#N)n1 ZINC001105298620 741678489 /nfs/dbraw/zinc/67/84/89/741678489.db2.gz NBDCARACTLMYPH-ZDUSSCGKSA-N 1 1 327.392 0.679 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001058728344 741691448 /nfs/dbraw/zinc/69/14/48/741691448.db2.gz QDYVQOUOFQOZFO-QGZVFWFLSA-N 1 1 327.469 0.868 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](F)C(C)C)C2)nn1 ZINC001105308408 741709710 /nfs/dbraw/zinc/70/97/10/741709710.db2.gz NTFSRAPZRCGFGZ-HNNXBMFYSA-N 1 1 339.415 0.948 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000982161476 751669605 /nfs/dbraw/zinc/66/96/05/751669605.db2.gz RUFQRWUACFHQDX-HNNXBMFYSA-N 1 1 327.432 0.788 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327217 741812388 /nfs/dbraw/zinc/81/23/88/741812388.db2.gz WUSIJLCUTBBUSJ-AWEZNQCLSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327217 741812390 /nfs/dbraw/zinc/81/23/90/741812390.db2.gz WUSIJLCUTBBUSJ-AWEZNQCLSA-N 1 1 330.436 0.116 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327166 741812682 /nfs/dbraw/zinc/81/26/82/741812682.db2.gz UTBRZFWAGWGADF-BBRMVZONSA-N 1 1 332.452 0.525 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001105328705 741818591 /nfs/dbraw/zinc/81/85/91/741818591.db2.gz RLLXTYCGBBFULM-UHFFFAOYSA-N 1 1 332.452 0.669 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C(N)=O)[nH]3)C2)nn1 ZINC001105328442 741818873 /nfs/dbraw/zinc/81/88/73/741818873.db2.gz FBHJUIVVCNMHHR-UHFFFAOYSA-N 1 1 343.391 0.068 20 30 ECEDMO C=CCC[NH2+]Cc1cn(C2CN(C(=O)CCc3c[nH]nn3)C2)nn1 ZINC001105329898 741831925 /nfs/dbraw/zinc/83/19/25/741831925.db2.gz DDBFSFYINIRPJI-UHFFFAOYSA-N 1 1 330.396 0.078 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC000982176484 751675993 /nfs/dbraw/zinc/67/59/93/751675993.db2.gz IUWRWLFEPXGIRA-AWEZNQCLSA-N 1 1 333.432 0.930 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000974549733 741886332 /nfs/dbraw/zinc/88/63/32/741886332.db2.gz PVKZLYUTZMWDSD-HZPDHXFCSA-N 1 1 326.400 0.664 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cn(C)nn3)C(C)(C)C2)C1=O ZINC000974573322 741914014 /nfs/dbraw/zinc/91/40/14/741914014.db2.gz YICHZTQXZYOGIG-KBPBESRZSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cn(C)nn3)C(C)(C)C2)C1=O ZINC000974573322 741914016 /nfs/dbraw/zinc/91/40/16/741914016.db2.gz YICHZTQXZYOGIG-KBPBESRZSA-N 1 1 346.435 0.042 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974640651 741961159 /nfs/dbraw/zinc/96/11/59/741961159.db2.gz JLDDLJGDNUZGTC-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001058738221 741973493 /nfs/dbraw/zinc/97/34/93/741973493.db2.gz UYLPNBQFYOIBPC-XHSDSOJGSA-N 1 1 340.431 0.931 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000974791240 742193953 /nfs/dbraw/zinc/19/39/53/742193953.db2.gz OPFHZJNAANUAQN-HNNXBMFYSA-N 1 1 348.447 0.906 20 30 ECEDMO C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822454 742217545 /nfs/dbraw/zinc/21/75/45/742217545.db2.gz BEDVOELXCIGFPA-BWRBCVJASA-N 1 1 331.460 0.700 20 30 ECEDMO C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822454 742217549 /nfs/dbraw/zinc/21/75/49/742217549.db2.gz BEDVOELXCIGFPA-BWRBCVJASA-N 1 1 331.460 0.700 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974995661 742423277 /nfs/dbraw/zinc/42/32/77/742423277.db2.gz MVMYNWRMNWUWRX-GJZGRUSLSA-N 1 1 341.415 0.566 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C(N)=O ZINC000974984548 742432920 /nfs/dbraw/zinc/43/29/20/742432920.db2.gz MZGFWNXMFKRWRI-CQSZACIVSA-N 1 1 330.388 0.401 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)CC2(C)C)c1 ZINC000975010040 742445271 /nfs/dbraw/zinc/44/52/71/742445271.db2.gz GKGGIHJFRBEYOY-GJZGRUSLSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)c1 ZINC000975010040 742445272 /nfs/dbraw/zinc/44/52/72/742445272.db2.gz GKGGIHJFRBEYOY-GJZGRUSLSA-N 1 1 328.416 0.767 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccnnc3)C(C)(C)C2)C1=O ZINC000975098085 742496524 /nfs/dbraw/zinc/49/65/24/742496524.db2.gz PSYVESBERCRQNO-HUUCEWRRSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccnnc3)C(C)(C)C2)C1=O ZINC000975098085 742496528 /nfs/dbraw/zinc/49/65/28/742496528.db2.gz PSYVESBERCRQNO-HUUCEWRRSA-N 1 1 343.431 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC000988262713 751740432 /nfs/dbraw/zinc/74/04/32/751740432.db2.gz XSWUMMGUKBDHTC-ZFWWWQNUSA-N 1 1 345.403 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC000988262713 751740433 /nfs/dbraw/zinc/74/04/33/751740433.db2.gz XSWUMMGUKBDHTC-ZFWWWQNUSA-N 1 1 345.403 0.088 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)C1=O ZINC000982237043 751747936 /nfs/dbraw/zinc/74/79/36/751747936.db2.gz UAANVLYANKUOSP-NONVJHHQSA-N 1 1 332.448 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000975360527 742751421 /nfs/dbraw/zinc/75/14/21/742751421.db2.gz JGPUGLFFKBGXHI-IXDOHACOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000975360527 742751424 /nfs/dbraw/zinc/75/14/24/742751424.db2.gz JGPUGLFFKBGXHI-IXDOHACOSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]1(C)C[N@H+]([C@H]1CCNC1=O)C2 ZINC000982250407 751762392 /nfs/dbraw/zinc/76/23/92/751762392.db2.gz QMSFENUOHGEDIV-JCGIZDLHSA-N 1 1 341.415 0.559 20 30 ECEDMO C=CCC[NH+]1CCN(C2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)CC1 ZINC000996782575 742854334 /nfs/dbraw/zinc/85/43/34/742854334.db2.gz MRNHBTLXEWZJHE-OFLPRAFFSA-N 1 1 348.491 0.744 20 30 ECEDMO C=C(C)CN1CC[NH+](C2CCC(NC(=O)Cc3nnc[nH]3)CC2)CC1 ZINC000996795758 742878127 /nfs/dbraw/zinc/87/81/27/742878127.db2.gz RCUCBMNXCUOUBI-UHFFFAOYSA-N 1 1 346.479 0.968 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)cn1 ZINC001028935776 742917239 /nfs/dbraw/zinc/91/72/39/742917239.db2.gz LSDPVWCFAVVGOZ-CQSZACIVSA-N 1 1 341.415 0.140 20 30 ECEDMO N#CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000427857126 742948236 /nfs/dbraw/zinc/94/82/36/742948236.db2.gz HQZJBBBFOODSFP-UHFFFAOYSA-N 1 1 330.388 0.530 20 30 ECEDMO C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]1(C)C[N@H+]([C@@H]1CCNC1=O)C2 ZINC000982261175 751791427 /nfs/dbraw/zinc/79/14/27/751791427.db2.gz QIAPDANPGSMECE-OLMNPRSZSA-N 1 1 341.415 0.559 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)CS(C)(=O)=O ZINC000988283412 751793203 /nfs/dbraw/zinc/79/32/03/751793203.db2.gz ULNAZKSAUAGHNQ-DOMZBBRYSA-N 1 1 335.429 0.682 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn[nH]2)C1 ZINC001111601359 743121505 /nfs/dbraw/zinc/12/15/05/743121505.db2.gz XNOFZZHMPWEYLO-DCGLDWPTSA-N 1 1 331.420 0.685 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](CNCc3ccon3)C2)CC1 ZINC001027234214 743247377 /nfs/dbraw/zinc/24/73/77/743247377.db2.gz RLYQJCSTGASICF-OAHLLOKOSA-N 1 1 330.432 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC000975854299 743355649 /nfs/dbraw/zinc/35/56/49/743355649.db2.gz STTXCXOKKJVLLL-GJZGRUSLSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC000975854299 743355657 /nfs/dbraw/zinc/35/56/57/743355657.db2.gz STTXCXOKKJVLLL-GJZGRUSLSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nocc2C)[C@H]1C ZINC001020577760 751819544 /nfs/dbraw/zinc/81/95/44/751819544.db2.gz ZAABAWOZPKVXMC-KKUMJFAQSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nocc2C)[C@H]1C ZINC001020577760 751819554 /nfs/dbraw/zinc/81/95/54/751819554.db2.gz ZAABAWOZPKVXMC-KKUMJFAQSA-N 1 1 344.415 0.800 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCCC(=O)NC)C2)nn1 ZINC001105380817 743418123 /nfs/dbraw/zinc/41/81/23/743418123.db2.gz GZKFMPNOUJIQSS-UHFFFAOYSA-N 1 1 334.424 0.243 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CCCC)NC(N)=O)C2)nn1 ZINC001105381327 743459050 /nfs/dbraw/zinc/45/90/50/743459050.db2.gz XKPSFSPCKIUACD-CQSZACIVSA-N 1 1 349.439 0.164 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)CC1 ZINC000997365385 743537215 /nfs/dbraw/zinc/53/72/15/743537215.db2.gz UDIVTZAEJFMYRW-UHFFFAOYSA-N 1 1 343.475 0.846 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)C1=O ZINC000982278966 751850467 /nfs/dbraw/zinc/85/04/67/751850467.db2.gz VDCPLAPSXAPYJR-LZQZEXGQSA-N 1 1 329.444 0.801 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ccnn3C)C2)C1=O ZINC001027326827 743743509 /nfs/dbraw/zinc/74/35/09/743743509.db2.gz CCGTZDUVARQTSN-HUUCEWRRSA-N 1 1 345.447 0.743 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000976273555 743751270 /nfs/dbraw/zinc/75/12/70/743751270.db2.gz OGGKTFFEPVKJFY-MYZSUADSSA-N 1 1 327.388 0.167 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000976289402 743791883 /nfs/dbraw/zinc/79/18/83/743791883.db2.gz YLGJMTZDTOLSAF-VVLHAWIVSA-N 1 1 338.411 0.344 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)CC2CCS(=O)(=O)CC2)C1 ZINC001027336350 743796754 /nfs/dbraw/zinc/79/67/54/743796754.db2.gz PHJAPBFVCYTLTD-HIFRSBDPSA-N 1 1 341.477 0.894 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnn(C)n2)CC1 ZINC000997782376 743808280 /nfs/dbraw/zinc/80/82/80/743808280.db2.gz STNCUNYZPNXMHP-CABCVRRESA-N 1 1 348.451 0.520 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344431 743828068 /nfs/dbraw/zinc/82/80/68/743828068.db2.gz VXCIRVCKNMBKKK-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccoc1 ZINC000976402005 743928566 /nfs/dbraw/zinc/92/85/66/743928566.db2.gz UWKNAZJNRSSQOJ-UIBIWLFHSA-N 1 1 341.411 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccoc1 ZINC000976402005 743928569 /nfs/dbraw/zinc/92/85/69/743928569.db2.gz UWKNAZJNRSSQOJ-UIBIWLFHSA-N 1 1 341.411 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C(F)F)C1 ZINC001006824608 751876275 /nfs/dbraw/zinc/87/62/75/751876275.db2.gz PDPIXJGZQBOBLU-DCGLDWPTSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C(F)F)C1 ZINC001006824608 751876283 /nfs/dbraw/zinc/87/62/83/751876283.db2.gz PDPIXJGZQBOBLU-DCGLDWPTSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000998115881 743985779 /nfs/dbraw/zinc/98/57/79/743985779.db2.gz LLSAVXJKVKMKHD-HRCADAONSA-N 1 1 335.448 0.746 20 30 ECEDMO C=CCn1cc(C(=O)N(CC)[C@H]2CCC[N@H+](CC(N)=O)CC2)nn1 ZINC000998141176 744001190 /nfs/dbraw/zinc/00/11/90/744001190.db2.gz NUWICFULRUABHJ-ZDUSSCGKSA-N 1 1 334.424 0.266 20 30 ECEDMO C=CCn1cc(C(=O)N(CC)[C@H]2CCC[N@@H+](CC(N)=O)CC2)nn1 ZINC000998141176 744001194 /nfs/dbraw/zinc/00/11/94/744001194.db2.gz NUWICFULRUABHJ-ZDUSSCGKSA-N 1 1 334.424 0.266 20 30 ECEDMO C[N@@H+](CCn1cncn1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027371540 744015865 /nfs/dbraw/zinc/01/58/65/744015865.db2.gz FBBRLPRBWBRVHZ-CQSZACIVSA-N 1 1 327.392 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC000998177020 744031119 /nfs/dbraw/zinc/03/11/19/744031119.db2.gz POIXWURUKBBTAY-CYBMUJFWSA-N 1 1 342.403 0.367 20 30 ECEDMO C#CCCCC(=O)NCC[NH2+]Cc1cc(=O)n2nc(C)sc2n1 ZINC001126339497 751887132 /nfs/dbraw/zinc/88/71/32/751887132.db2.gz YNRPYGIIIVOTHF-UHFFFAOYSA-N 1 1 333.417 0.469 20 30 ECEDMO C#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]nn2)CC[C@@H]1C(F)(F)F ZINC000998299049 744106377 /nfs/dbraw/zinc/10/63/77/744106377.db2.gz CIDAHYNUEUWTKW-RYUDHWBXSA-N 1 1 329.326 0.740 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000976656972 744171481 /nfs/dbraw/zinc/17/14/81/744171481.db2.gz FIYRTDZYLJRJEF-HPFXQQBRSA-N 1 1 329.444 0.847 20 30 ECEDMO CC(C)n1nnnc1C[NH2+]C1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000998656319 744270973 /nfs/dbraw/zinc/27/09/73/744270973.db2.gz ZKGKSADGJIWPNM-UHFFFAOYSA-N 1 1 342.407 0.847 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027417419 744291030 /nfs/dbraw/zinc/29/10/30/744291030.db2.gz YAZAQTUOKJTJKP-LLVKDONJSA-N 1 1 340.815 0.052 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027417419 744291033 /nfs/dbraw/zinc/29/10/33/744291033.db2.gz YAZAQTUOKJTJKP-LLVKDONJSA-N 1 1 340.815 0.052 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001027431841 744372793 /nfs/dbraw/zinc/37/27/93/744372793.db2.gz MZHBOEAPGHLCBB-HOTGVXAUSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nnc(C)o2)C1 ZINC000998922509 744407416 /nfs/dbraw/zinc/40/74/16/744407416.db2.gz GXMCSASBGLMYKZ-NRXISQOPSA-N 1 1 331.420 0.555 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nnc(C)o2)C1 ZINC000998922509 744407418 /nfs/dbraw/zinc/40/74/18/744407418.db2.gz GXMCSASBGLMYKZ-NRXISQOPSA-N 1 1 331.420 0.555 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000999290090 744603445 /nfs/dbraw/zinc/60/34/45/744603445.db2.gz HFMPQBYNORTOMH-HUUCEWRRSA-N 1 1 333.432 0.533 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC000999319458 744623339 /nfs/dbraw/zinc/62/33/39/744623339.db2.gz IOXPETURXWPFCK-CYBMUJFWSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000999319822 744624011 /nfs/dbraw/zinc/62/40/11/744624011.db2.gz MLWXAJWUFYMIMS-WBMJQRKESA-N 1 1 326.400 0.201 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1ccnc(C)n1 ZINC001111582705 751938110 /nfs/dbraw/zinc/93/81/10/751938110.db2.gz JEBQXVFXONLKPJ-HNNXBMFYSA-N 1 1 331.420 0.115 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1ccnc(C)n1 ZINC001111582705 751938115 /nfs/dbraw/zinc/93/81/15/751938115.db2.gz JEBQXVFXONLKPJ-HNNXBMFYSA-N 1 1 331.420 0.115 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccc(OC)c2)C1 ZINC000999446939 744701408 /nfs/dbraw/zinc/70/14/08/744701408.db2.gz VEYHHHGNRQXCQG-KRWDZBQOSA-N 1 1 341.411 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccc(OC)c2)C1 ZINC000999446939 744701410 /nfs/dbraw/zinc/70/14/10/744701410.db2.gz VEYHHHGNRQXCQG-KRWDZBQOSA-N 1 1 341.411 0.733 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC(=C)C)NC(C)=O)C2)nn1 ZINC001105339828 744727324 /nfs/dbraw/zinc/72/73/24/744727324.db2.gz YLIDLHZUZQJRRO-INIZCTEOSA-N 1 1 346.435 0.408 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cncn3C)C2)C1=O ZINC001027482638 744736481 /nfs/dbraw/zinc/73/64/81/744736481.db2.gz FDTJMXGZUASDDF-HUUCEWRRSA-N 1 1 345.447 0.743 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C[C@@]2(C)C1 ZINC000982318003 751950569 /nfs/dbraw/zinc/95/05/69/751950569.db2.gz AMNACAWEFORFHF-XWIAVFTESA-N 1 1 345.447 0.903 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001027508153 744864241 /nfs/dbraw/zinc/86/42/41/744864241.db2.gz WZDQOPGWIFSTEX-CYBMUJFWSA-N 1 1 327.388 0.501 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)C(C)(C)C1 ZINC000977375916 744901989 /nfs/dbraw/zinc/90/19/89/744901989.db2.gz GILAWUNYMDNRTA-OAHLLOKOSA-N 1 1 330.432 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C)no1 ZINC000977382400 744916906 /nfs/dbraw/zinc/91/69/06/744916906.db2.gz ZRXJKOZUUJQERE-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C)no1 ZINC000977382400 744916914 /nfs/dbraw/zinc/91/69/14/744916914.db2.gz ZRXJKOZUUJQERE-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CCN1CCC(C(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)CC1 ZINC000999870049 744971756 /nfs/dbraw/zinc/97/17/56/744971756.db2.gz KIPMYYQVJBKLOB-UHFFFAOYSA-N 1 1 343.475 0.807 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999875731 744984102 /nfs/dbraw/zinc/98/41/02/744984102.db2.gz CUKJUVUPHAUXST-KMFMINBZSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999877656 744986610 /nfs/dbraw/zinc/98/66/10/744986610.db2.gz PLKKFIXHHMOYJR-CQSZACIVSA-N 1 1 330.432 0.957 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000977444614 744997935 /nfs/dbraw/zinc/99/79/35/744997935.db2.gz GHNXWXYDIPUETR-ZDUSSCGKSA-N 1 1 336.436 0.721 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000999890390 745015735 /nfs/dbraw/zinc/01/57/35/745015735.db2.gz ZGRALIKZPROTGV-MLGOLLRUSA-N 1 1 326.400 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2CCC[N@H+]2C)nc1 ZINC000977486960 745079616 /nfs/dbraw/zinc/07/96/16/745079616.db2.gz JLJXOASRXRIFCT-NVXWUHKLSA-N 1 1 340.427 0.830 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn[nH]3)nn2)C1 ZINC000999954079 745092923 /nfs/dbraw/zinc/09/29/23/745092923.db2.gz DDIDIIICPQFWRZ-GFCCVEGCSA-N 1 1 335.799 0.931 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn[nH]3)nn2)C1 ZINC000999954079 745092926 /nfs/dbraw/zinc/09/29/26/745092926.db2.gz DDIDIIICPQFWRZ-GFCCVEGCSA-N 1 1 335.799 0.931 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnsn3)nn2)C1 ZINC000999954847 745094419 /nfs/dbraw/zinc/09/44/19/745094419.db2.gz HOLQXFJQKMNZQQ-GFCCVEGCSA-N 1 1 333.421 0.883 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC000999959071 745100131 /nfs/dbraw/zinc/10/01/31/745100131.db2.gz DHGXCFOECLQFRW-AWEZNQCLSA-N 1 1 327.392 0.821 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999960089 745101450 /nfs/dbraw/zinc/10/14/50/745101450.db2.gz BMGLPOZSFDANOD-JKSUJKDBSA-N 1 1 332.452 0.811 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999960089 745101454 /nfs/dbraw/zinc/10/14/54/745101454.db2.gz BMGLPOZSFDANOD-JKSUJKDBSA-N 1 1 332.452 0.811 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)C3=CCOCC3)nn2)C1 ZINC000999980350 745131276 /nfs/dbraw/zinc/13/12/76/745131276.db2.gz NJMBVNBGEBDPGY-MRXNPFEDSA-N 1 1 329.404 0.511 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3coc(C)n3)nn2)C1 ZINC000999981351 745132461 /nfs/dbraw/zinc/13/24/61/745132461.db2.gz SMBXEHMMKFLGFI-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 ZINC000999981769 745133101 /nfs/dbraw/zinc/13/31/01/745133101.db2.gz WPRREGFVKCKXEM-CYBMUJFWSA-N 1 1 349.826 0.941 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 ZINC000999981769 745133104 /nfs/dbraw/zinc/13/31/04/745133104.db2.gz WPRREGFVKCKXEM-CYBMUJFWSA-N 1 1 349.826 0.941 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 ZINC000999984404 745136606 /nfs/dbraw/zinc/13/66/06/745136606.db2.gz MERGIODCAJNPBA-CQSZACIVSA-N 1 1 344.423 0.550 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nn(C)cc3Cl)nn2)C1 ZINC000999985302 745138355 /nfs/dbraw/zinc/13/83/55/745138355.db2.gz AYTJMXZWCXJGEC-LBPRGKRZSA-N 1 1 347.810 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(Cl)cnn3C)nn2)C1 ZINC000999985240 745138677 /nfs/dbraw/zinc/13/86/77/745138677.db2.gz ANSLJMBOZSIEQO-LBPRGKRZSA-N 1 1 347.810 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nccc(C)n3)nn2)C1 ZINC000999985883 745139201 /nfs/dbraw/zinc/13/92/01/745139201.db2.gz QMNLLKPNOJARBH-CQSZACIVSA-N 1 1 325.376 0.187 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC000999985985 745139225 /nfs/dbraw/zinc/13/92/25/745139225.db2.gz RZBADLDSWQGYIV-HNNXBMFYSA-N 1 1 325.376 0.268 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(OC)ncn3)nn2)C1 ZINC000999986987 745141916 /nfs/dbraw/zinc/14/19/16/745141916.db2.gz MDFXTZRWXOTMMF-ZDUSSCGKSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)nnn3CC)nn2)C1 ZINC000999989178 745145993 /nfs/dbraw/zinc/14/59/93/745145993.db2.gz CTULCJCMZQTZJV-CQSZACIVSA-N 1 1 342.407 0.008 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 ZINC000999992047 745149198 /nfs/dbraw/zinc/14/91/98/745149198.db2.gz OFFTYKNQWWYTEM-HOTGVXAUSA-N 1 1 345.451 0.537 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C)nn3)nn2)C1 ZINC000999993481 745151855 /nfs/dbraw/zinc/15/18/55/745151855.db2.gz UYJIDRIFDFZGIA-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3snnc3CC)nn2)C1 ZINC001000001110 745163536 /nfs/dbraw/zinc/16/35/36/745163536.db2.gz BBQCRKWOQUVIFO-LBPRGKRZSA-N 1 1 345.432 0.502 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCN(C)C3=O)nn2)C1 ZINC001000008630 745175967 /nfs/dbraw/zinc/17/59/67/745175967.db2.gz JNKYPXHUQACZFR-CABCVRRESA-N 1 1 346.435 0.196 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]nnc3C)nn2)C1 ZINC001000012291 745180883 /nfs/dbraw/zinc/18/08/83/745180883.db2.gz BEDSTQYTELUHNA-AWEZNQCLSA-N 1 1 344.423 0.848 20 30 ECEDMO C=C1CCC(C(=O)NCc2cn([C@@H]3CC[N@H+](CCO)C3)nn2)CC1 ZINC001000012454 745181808 /nfs/dbraw/zinc/18/18/08/745181808.db2.gz FIQWUTAKJGPNLL-MRXNPFEDSA-N 1 1 333.436 0.880 20 30 ECEDMO C=C1CCC(C(=O)NCc2cn([C@H]3CC[N@@H+](CC(N)=O)C3)nn2)CC1 ZINC001000019978 745190250 /nfs/dbraw/zinc/19/02/50/745190250.db2.gz HYOKGQBHTSSGDX-HNNXBMFYSA-N 1 1 346.435 0.373 20 30 ECEDMO C=C1CCC(C(=O)NCc2cn([C@H]3CC[N@H+](CC(N)=O)C3)nn2)CC1 ZINC001000019978 745190255 /nfs/dbraw/zinc/19/02/55/745190255.db2.gz HYOKGQBHTSSGDX-HNNXBMFYSA-N 1 1 346.435 0.373 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CCF)C2)nn1 ZINC001000024756 745196173 /nfs/dbraw/zinc/19/61/73/745196173.db2.gz MMEQCRZIMRNVFM-ZNMIVQPWSA-N 1 1 337.399 0.702 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CCF)C2)nn1 ZINC001000024756 745196175 /nfs/dbraw/zinc/19/61/75/745196175.db2.gz MMEQCRZIMRNVFM-ZNMIVQPWSA-N 1 1 337.399 0.702 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3nc(C)c[nH]3)nn2)C1 ZINC001000026755 745198676 /nfs/dbraw/zinc/19/86/76/745198676.db2.gz CGXRWLSXPLXNJH-AWEZNQCLSA-N 1 1 327.392 0.510 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C(F)F)c3)nn2)C1 ZINC001000029896 745203273 /nfs/dbraw/zinc/20/32/73/745203273.db2.gz OXTDBRRADXZJHY-ZDUSSCGKSA-N 1 1 349.345 0.680 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nc(C)c[nH]3)nn2)C1 ZINC001000031667 745206274 /nfs/dbraw/zinc/20/62/74/745206274.db2.gz YYFOLRFKPNTMJA-AWEZNQCLSA-N 1 1 327.392 0.510 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(CC)cn3)nn2)C1 ZINC001000034475 745209541 /nfs/dbraw/zinc/20/95/41/745209541.db2.gz HVTJEMZIXRLFKD-CQSZACIVSA-N 1 1 329.408 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(C(C)C)n3)nn2)C1 ZINC001000034493 745209564 /nfs/dbraw/zinc/20/95/64/745209564.db2.gz WGJGTRXXDVSKPY-HNNXBMFYSA-N 1 1 341.419 0.866 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)nn1 ZINC001098696950 745212692 /nfs/dbraw/zinc/21/26/92/745212692.db2.gz AHJWJFVYRBLFLJ-CABCVRRESA-N 1 1 346.435 0.338 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(CC)n(C)n3)nn2)C1 ZINC001000041509 745221141 /nfs/dbraw/zinc/22/11/41/745221141.db2.gz FUESSXXFLURYGT-OAHLLOKOSA-N 1 1 343.435 0.937 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(=O)[nH]c3)nn2)C1 ZINC001000046428 745227582 /nfs/dbraw/zinc/22/75/82/745227582.db2.gz TXVIPXYCZDLRCM-CQSZACIVSA-N 1 1 328.376 0.742 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2nc3nccc(C)n3n2)C(C)(C)C1 ZINC000977584287 745243252 /nfs/dbraw/zinc/24/32/52/745243252.db2.gz INKMMUICVVXVAN-ZDUSSCGKSA-N 1 1 326.404 0.896 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(COC)s3)C2)nn1 ZINC001105384221 745248133 /nfs/dbraw/zinc/24/81/33/745248133.db2.gz CKFBJEAOLJFRBD-UHFFFAOYSA-N 1 1 348.432 0.854 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)C1=CCOCC1 ZINC000977604773 745256129 /nfs/dbraw/zinc/25/61/29/745256129.db2.gz VCDAHIQTNURZEB-SJORKVTESA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)C1=CCOCC1 ZINC000977604773 745256132 /nfs/dbraw/zinc/25/61/32/745256132.db2.gz VCDAHIQTNURZEB-SJORKVTESA-N 1 1 345.443 0.490 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000977606195 745259371 /nfs/dbraw/zinc/25/93/71/745259371.db2.gz SOQRLUQOSLUDJI-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(COC)no3)C2)nn1 ZINC001020699993 751989193 /nfs/dbraw/zinc/98/91/93/751989193.db2.gz CTIBEXNQLINNNX-XYPYZODXSA-N 1 1 347.379 0.044 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cn(CC)cn2)C1=O ZINC001028263930 751994973 /nfs/dbraw/zinc/99/49/73/751994973.db2.gz AHZYBKZTGCYJSI-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cn(CC)cn2)C1=O ZINC001028263930 751994979 /nfs/dbraw/zinc/99/49/79/751994979.db2.gz AHZYBKZTGCYJSI-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112154413 745362512 /nfs/dbraw/zinc/36/25/12/745362512.db2.gz KLXJSXGOYAEFBP-VXGBXAGGSA-N 1 1 346.353 0.961 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nnnc1C(C)C ZINC001114940198 745364091 /nfs/dbraw/zinc/36/40/91/745364091.db2.gz YIIDKKFLHAGLFL-NHAGDIPZSA-N 1 1 334.424 0.046 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001000231381 745368016 /nfs/dbraw/zinc/36/80/16/745368016.db2.gz HGIQRVZIQFOEDF-IMJJTQAJSA-N 1 1 333.436 0.970 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977728293 745446122 /nfs/dbraw/zinc/44/61/22/745446122.db2.gz AONLJWVYWZECPM-KBPBESRZSA-N 1 1 329.404 0.511 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001075789716 745466390 /nfs/dbraw/zinc/46/63/90/745466390.db2.gz KZQQVNGUTWHVMD-SQWLQELKSA-N 1 1 341.415 0.319 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+][C@@H](C)c3nncn3C)C2)nn1 ZINC001000405154 745479071 /nfs/dbraw/zinc/47/90/71/745479071.db2.gz QZOOSKBNWPNCRF-STQMWFEESA-N 1 1 344.423 0.548 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(CC)n3)C2)nn1 ZINC001000407003 745479588 /nfs/dbraw/zinc/47/95/88/745479588.db2.gz ZAVFOGUWNISYRQ-CYBMUJFWSA-N 1 1 344.423 0.470 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001000412903 745482548 /nfs/dbraw/zinc/48/25/48/745482548.db2.gz ZSGWAONSJRIBAM-DZKIICNBSA-N 1 1 348.451 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3cn[nH]c3)CC2)C1=O ZINC001000475220 745530285 /nfs/dbraw/zinc/53/02/85/745530285.db2.gz YZOSLZLYAMYVOP-HNNXBMFYSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3n[nH]cc3F)C2)C1=O ZINC001027566518 745561169 /nfs/dbraw/zinc/56/11/69/745561169.db2.gz KEMOKMVOPCOVIE-GXTWGEPZSA-N 1 1 349.410 0.872 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCCN(C)C2=O)nc1 ZINC001028269022 752015596 /nfs/dbraw/zinc/01/55/96/752015596.db2.gz DHRHLOJQYCLAAH-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)c1 ZINC001027568066 745587955 /nfs/dbraw/zinc/58/79/55/745587955.db2.gz AASFKNIQDAJIRS-CVEARBPZSA-N 1 1 328.416 0.863 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cn[nH]c4)[C@@H]3C2)C1=O ZINC000977860523 745592204 /nfs/dbraw/zinc/59/22/04/745592204.db2.gz LAOFBVAPBOONFW-XQLPTFJDSA-N 1 1 329.404 0.104 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)C3=CCOCC3)CC2)C1=O ZINC001000605536 745629914 /nfs/dbraw/zinc/62/99/14/745629914.db2.gz AFWLKGSMZDSNRD-KRWDZBQOSA-N 1 1 345.443 0.868 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C#CC1CC1 ZINC000977922488 745651903 /nfs/dbraw/zinc/65/19/03/745651903.db2.gz WLSKXESZORUCSK-IRXDYDNUSA-N 1 1 327.428 0.557 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C#CC1CC1 ZINC000977922488 745651907 /nfs/dbraw/zinc/65/19/07/745651907.db2.gz WLSKXESZORUCSK-IRXDYDNUSA-N 1 1 327.428 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccsn1 ZINC000977908215 745658981 /nfs/dbraw/zinc/65/89/81/745658981.db2.gz USJQMAQXNSQTON-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccsn1 ZINC000977908215 745658986 /nfs/dbraw/zinc/65/89/86/745658986.db2.gz USJQMAQXNSQTON-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccncc2)C1 ZINC001000652223 745669655 /nfs/dbraw/zinc/66/96/55/745669655.db2.gz MPMFJJQOAFUESL-INIZCTEOSA-N 1 1 326.400 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccncc2)C1 ZINC001000652223 745669657 /nfs/dbraw/zinc/66/96/57/745669657.db2.gz MPMFJJQOAFUESL-INIZCTEOSA-N 1 1 326.400 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cnns1 ZINC000977927301 745681698 /nfs/dbraw/zinc/68/16/98/745681698.db2.gz LWUNRZGTCCSIOW-OLZOCXBDSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cnns1 ZINC000977927301 745681700 /nfs/dbraw/zinc/68/17/00/745681700.db2.gz LWUNRZGTCCSIOW-OLZOCXBDSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001028270569 752023723 /nfs/dbraw/zinc/02/37/23/752023723.db2.gz NSTGSODGIXNSFN-STQMWFEESA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001028270569 752023728 /nfs/dbraw/zinc/02/37/28/752023728.db2.gz NSTGSODGIXNSFN-STQMWFEESA-N 1 1 330.388 0.162 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cccn1C ZINC000977931922 745688463 /nfs/dbraw/zinc/68/84/63/745688463.db2.gz VQRTVFZDMOJTBE-RDJZCZTQSA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cccn1C ZINC000977931922 745688464 /nfs/dbraw/zinc/68/84/64/745688464.db2.gz VQRTVFZDMOJTBE-RDJZCZTQSA-N 1 1 342.443 0.796 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=O)N(C)C)CC1 ZINC001000694468 745705728 /nfs/dbraw/zinc/70/57/28/745705728.db2.gz BKEOKRMWDPLDAD-CVEARBPZSA-N 1 1 335.448 0.804 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=O)N(C)C)CC1 ZINC001000694468 745705731 /nfs/dbraw/zinc/70/57/31/745705731.db2.gz BKEOKRMWDPLDAD-CVEARBPZSA-N 1 1 335.448 0.804 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1ncccc1C#N ZINC001126522895 745713044 /nfs/dbraw/zinc/71/30/44/745713044.db2.gz FUAUVOLNJVSHHI-GDBMZVCRSA-N 1 1 345.447 0.720 20 30 ECEDMO Cn1nccc1CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977984339 745747778 /nfs/dbraw/zinc/74/77/78/745747778.db2.gz ZLQRAGXWXJFPMT-PHZGNYQRSA-N 1 1 338.415 0.770 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2[nH]c(C)c(C(N)=O)c2CC)CC1 ZINC001000773806 745756858 /nfs/dbraw/zinc/75/68/58/745756858.db2.gz WLTZRDKXDAMNQD-UHFFFAOYSA-N 1 1 328.416 0.980 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1)C1CC1 ZINC000978029586 745830691 /nfs/dbraw/zinc/83/06/91/745830691.db2.gz OTHZJVPMYUYYBR-PHZGNYQRSA-N 1 1 341.415 0.415 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)NC2CC2)nc1 ZINC001028271696 752038900 /nfs/dbraw/zinc/03/89/00/752038900.db2.gz MHQGVNHTTCTTHK-BBRMVZONSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC2CC2)nc1 ZINC001028271696 752038906 /nfs/dbraw/zinc/03/89/06/752038906.db2.gz MHQGVNHTTCTTHK-BBRMVZONSA-N 1 1 340.427 0.924 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC001001001052 745966113 /nfs/dbraw/zinc/96/61/13/745966113.db2.gz HRUGHHWDOWQZAU-OAHLLOKOSA-N 1 1 341.402 0.724 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001028272613 752049526 /nfs/dbraw/zinc/04/95/26/752049526.db2.gz GSZUEEKOUVPRFX-HOTGVXAUSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001028272613 752049533 /nfs/dbraw/zinc/04/95/33/752049533.db2.gz GSZUEEKOUVPRFX-HOTGVXAUSA-N 1 1 326.400 0.917 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2c(C)c(C)nn(C)c2=O)CC1 ZINC001001028521 745992205 /nfs/dbraw/zinc/99/22/05/745992205.db2.gz UAHCSEIIIQDORP-UHFFFAOYSA-N 1 1 328.416 0.782 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)[C@@H]2C1 ZINC000978183087 746001310 /nfs/dbraw/zinc/00/13/10/746001310.db2.gz AYIZJRSOZCJLQP-LUKYLMHMSA-N 1 1 329.444 0.562 20 30 ECEDMO Cn1cnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)n1 ZINC000978172549 746007683 /nfs/dbraw/zinc/00/76/83/746007683.db2.gz NJDUBNAWKCNPRK-PHZGNYQRSA-N 1 1 336.399 0.795 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001059338133 746013963 /nfs/dbraw/zinc/01/39/63/746013963.db2.gz YKGYBODSVLPYQZ-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3CNC(=O)N3)CC2)s1 ZINC001001114086 746086961 /nfs/dbraw/zinc/08/69/61/746086961.db2.gz GWZSWAVSKAJTJI-AWEZNQCLSA-N 1 1 345.428 0.549 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3CNC(=O)N3)CC2)s1 ZINC001001114086 746086967 /nfs/dbraw/zinc/08/69/67/746086967.db2.gz GWZSWAVSKAJTJI-AWEZNQCLSA-N 1 1 345.428 0.549 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC001001127453 746097245 /nfs/dbraw/zinc/09/72/45/746097245.db2.gz BJMNSVPYKBTSLB-UHFFFAOYSA-N 1 1 326.400 0.513 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@@H+](CC(=O)N(C)C)CC2)c1 ZINC001001127453 746097251 /nfs/dbraw/zinc/09/72/51/746097251.db2.gz BJMNSVPYKBTSLB-UHFFFAOYSA-N 1 1 326.400 0.513 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC001001144189 746110910 /nfs/dbraw/zinc/11/09/10/746110910.db2.gz MDPGIZKRJQFBNE-DLBZAZTESA-N 1 1 345.443 0.538 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)CCn3cccn3)C2)nn1 ZINC001027606541 746132828 /nfs/dbraw/zinc/13/28/28/746132828.db2.gz HQSJEWNFRTWNPU-HNNXBMFYSA-N 1 1 343.435 0.897 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC000978274872 746135021 /nfs/dbraw/zinc/13/50/21/746135021.db2.gz RYSGMTJEUAIHSB-PHZGNYQRSA-N 1 1 340.431 0.910 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC000978274872 746135024 /nfs/dbraw/zinc/13/50/24/746135024.db2.gz RYSGMTJEUAIHSB-PHZGNYQRSA-N 1 1 340.431 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CCOC1 ZINC000978321846 746175822 /nfs/dbraw/zinc/17/58/22/746175822.db2.gz QIUUANNVLSBTDM-OAGGEKHMSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CCOC1 ZINC000978321846 746175825 /nfs/dbraw/zinc/17/58/25/746175825.db2.gz QIUUANNVLSBTDM-OAGGEKHMSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2=CC[N@H+](CC(=O)NC)CC2)cc1 ZINC001001234293 746193828 /nfs/dbraw/zinc/19/38/28/746193828.db2.gz FVFUUGXZMRDFNF-UHFFFAOYSA-N 1 1 341.411 0.807 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2=CC[N@@H+](CC(=O)NC)CC2)cc1 ZINC001001234293 746193831 /nfs/dbraw/zinc/19/38/31/746193831.db2.gz FVFUUGXZMRDFNF-UHFFFAOYSA-N 1 1 341.411 0.807 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H]2CC)C1=O ZINC001087693147 746197381 /nfs/dbraw/zinc/19/73/81/746197381.db2.gz YNKABCGONYHZQO-QROFKTNTSA-N 1 1 347.459 0.635 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000978361543 746243385 /nfs/dbraw/zinc/24/33/85/746243385.db2.gz QGGAYTJNHOBRMR-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1CC ZINC001087748119 746278181 /nfs/dbraw/zinc/27/81/81/746278181.db2.gz PRERPSIQEFRBFW-UONOGXRCSA-N 1 1 344.419 0.436 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3-n3cnnn3)[C@@H]2C1 ZINC000978403392 746292816 /nfs/dbraw/zinc/29/28/16/746292816.db2.gz SMPKWNZGVVUMQB-XYYAHUGASA-N 1 1 342.428 0.655 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+](CC(=O)N(C)C)CC2)nc1 ZINC001001379411 746325215 /nfs/dbraw/zinc/32/52/15/746325215.db2.gz SELRGTQJAZEKMY-UHFFFAOYSA-N 1 1 326.400 0.513 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](CC(=O)N(C)C)CC2)nc1 ZINC001001379411 746325218 /nfs/dbraw/zinc/32/52/18/746325218.db2.gz SELRGTQJAZEKMY-UHFFFAOYSA-N 1 1 326.400 0.513 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1=O ZINC001027625771 746352591 /nfs/dbraw/zinc/35/25/91/746352591.db2.gz WZCIJZNVOXTZQA-CHWSQXEVSA-N 1 1 332.408 0.128 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)s1 ZINC001041986817 782551939 /nfs/dbraw/zinc/55/19/39/782551939.db2.gz TUNQXJURQDQKMY-SMDDNHRTSA-N 1 1 332.429 0.918 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnc(C)n3C)C2)nn1 ZINC001098706083 746403464 /nfs/dbraw/zinc/40/34/64/746403464.db2.gz QTPQMAUYRBOFBV-CQSZACIVSA-N 1 1 329.408 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001464476 746406369 /nfs/dbraw/zinc/40/63/69/746406369.db2.gz XMKKNTLUJYPAQA-INIZCTEOSA-N 1 1 339.399 0.172 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001464476 746406371 /nfs/dbraw/zinc/40/63/71/746406371.db2.gz XMKKNTLUJYPAQA-INIZCTEOSA-N 1 1 339.399 0.172 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4csnn4)[C@@H]3C2)C1=O ZINC000978530311 746410212 /nfs/dbraw/zinc/41/02/12/746410212.db2.gz CKROPEJGXZHRQC-FMSGJZPZSA-N 1 1 347.444 0.233 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC001001470888 746412082 /nfs/dbraw/zinc/41/20/82/746412082.db2.gz BWCXMJMHOPBMFK-UHFFFAOYSA-N 1 1 346.435 0.304 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001001471558 746412427 /nfs/dbraw/zinc/41/24/27/746412427.db2.gz KACQMPKQXGQIDH-UHFFFAOYSA-N 1 1 332.408 0.092 20 30 ECEDMO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)n1 ZINC001029427956 746420058 /nfs/dbraw/zinc/42/00/58/746420058.db2.gz HRPSWFDMDDGIKX-GASCZTMLSA-N 1 1 337.387 0.571 20 30 ECEDMO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)n1 ZINC001029427956 746420064 /nfs/dbraw/zinc/42/00/64/746420064.db2.gz HRPSWFDMDDGIKX-GASCZTMLSA-N 1 1 337.387 0.571 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]2O)c[nH]1 ZINC001083417854 746429160 /nfs/dbraw/zinc/42/91/60/746429160.db2.gz GQCJKGHMORXATE-SJORKVTESA-N 1 1 340.383 0.354 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2O)c[nH]1 ZINC001083417854 746429163 /nfs/dbraw/zinc/42/91/63/746429163.db2.gz GQCJKGHMORXATE-SJORKVTESA-N 1 1 340.383 0.354 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001059887723 752091488 /nfs/dbraw/zinc/09/14/88/752091488.db2.gz WWSBEVMCEXGTGH-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)cc1 ZINC000978571450 746450140 /nfs/dbraw/zinc/45/01/40/746450140.db2.gz KATBSFSWZVONQU-OSMBCOQSSA-N 1 1 325.412 0.710 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4nnnc4c3)[C@@H]2C1 ZINC000978583638 746471110 /nfs/dbraw/zinc/47/11/10/746471110.db2.gz OCXWVRITVWWAJH-XYYAHUGASA-N 1 1 332.795 0.784 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[C@H]1CCNC1=O ZINC000978588308 746476344 /nfs/dbraw/zinc/47/63/44/746476344.db2.gz XDMCQYPDNIMHRZ-XLAORIBOSA-N 1 1 337.423 0.468 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001027644214 746499545 /nfs/dbraw/zinc/49/95/45/746499545.db2.gz YQXBTURRHDYYNK-CYBMUJFWSA-N 1 1 332.404 0.668 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001027644214 746499549 /nfs/dbraw/zinc/49/95/49/746499549.db2.gz YQXBTURRHDYYNK-CYBMUJFWSA-N 1 1 332.404 0.668 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)C3CC3)C2)C1=O ZINC001087853223 746504734 /nfs/dbraw/zinc/50/47/34/746504734.db2.gz DRCBPBRWBVLRNO-HZPDHXFCSA-N 1 1 335.448 0.469 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001027647738 746530737 /nfs/dbraw/zinc/53/07/37/746530737.db2.gz QRUKYQXSRGNIEJ-AWEZNQCLSA-N 1 1 326.404 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C2=COCCC2)C1 ZINC000978658927 746547002 /nfs/dbraw/zinc/54/70/02/746547002.db2.gz PHNMIQLEXILWGP-UAGQMJEPSA-N 1 1 345.443 0.789 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C2=COCCC2)C1 ZINC000978658927 746547006 /nfs/dbraw/zinc/54/70/06/746547006.db2.gz PHNMIQLEXILWGP-UAGQMJEPSA-N 1 1 345.443 0.789 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)nc1 ZINC001027656344 746596929 /nfs/dbraw/zinc/59/69/29/746596929.db2.gz NRPAHBWKBUOFED-WBVHZDCISA-N 1 1 340.427 0.830 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]21 ZINC000978709669 746610739 /nfs/dbraw/zinc/61/07/39/746610739.db2.gz BSTHCXNAFMJYIZ-ZSAUSMIDSA-N 1 1 332.404 0.763 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]21 ZINC000978709669 746610742 /nfs/dbraw/zinc/61/07/42/746610742.db2.gz BSTHCXNAFMJYIZ-ZSAUSMIDSA-N 1 1 332.404 0.763 20 30 ECEDMO C#CCCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059397070 746623255 /nfs/dbraw/zinc/62/32/55/746623255.db2.gz LLRWQMXHSRIWTQ-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059397070 746623260 /nfs/dbraw/zinc/62/32/60/746623260.db2.gz LLRWQMXHSRIWTQ-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001087911457 746646569 /nfs/dbraw/zinc/64/65/69/746646569.db2.gz VZYRKTWYNKNFKN-OAGGEKHMSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C)c(C(N)=O)cn3)[C@@H]2C1 ZINC000978749689 746653839 /nfs/dbraw/zinc/65/38/39/746653839.db2.gz UFOHJHTXSKNYPR-QKDCVEJESA-N 1 1 326.400 0.420 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)cc1F ZINC001041986492 782553286 /nfs/dbraw/zinc/55/32/86/782553286.db2.gz RBUQRPKVJJOZIY-BBRMVZONSA-N 1 1 344.390 0.996 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cc1 ZINC000978804446 746725443 /nfs/dbraw/zinc/72/54/43/746725443.db2.gz KFYGTLAXGFQHHU-PHZGNYQRSA-N 1 1 327.384 0.092 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](OC)c3cnn(C)c3)C[C@@]2(C)C1 ZINC000982403819 752118424 /nfs/dbraw/zinc/11/84/24/752118424.db2.gz YCYBMVUXQZBSTM-RYQLBKOJSA-N 1 1 330.432 0.911 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000978830375 746740959 /nfs/dbraw/zinc/74/09/59/746740959.db2.gz JAZMLSXCIGQNOZ-BNOWGMLFSA-N 1 1 329.404 0.463 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1)C1CC1 ZINC001087959541 746748210 /nfs/dbraw/zinc/74/82/10/746748210.db2.gz BQENFAACFUOYOH-CVEARBPZSA-N 1 1 329.444 0.801 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]2C1 ZINC001087964777 746753908 /nfs/dbraw/zinc/75/39/08/746753908.db2.gz ZSGILBDOBCBPJN-ILXRZTDVSA-N 1 1 343.431 0.729 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC000978827408 746756424 /nfs/dbraw/zinc/75/64/24/746756424.db2.gz QDQUMDGJEAHXKS-ZSOGYDGISA-N 1 1 346.880 0.858 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001001940194 746822523 /nfs/dbraw/zinc/82/25/23/746822523.db2.gz CXSUWCHDDQRIOO-UHFFFAOYSA-N 1 1 327.812 0.620 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CN=NC3=O)C2)c1 ZINC001007151967 752130897 /nfs/dbraw/zinc/13/08/97/752130897.db2.gz LZKOAZDTTNTHDH-HNNXBMFYSA-N 1 1 340.387 0.636 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(CC)C1=O ZINC001029480595 746894613 /nfs/dbraw/zinc/89/46/13/746894613.db2.gz BUVVJUCPTFFNAX-ALYAQQCSSA-N 1 1 347.459 0.874 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001029481935 746902596 /nfs/dbraw/zinc/90/25/96/746902596.db2.gz MIEBBYWFTFYDCU-JKJDWNRSSA-N 1 1 333.432 0.483 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnccn2)C1 ZINC000978952487 746945609 /nfs/dbraw/zinc/94/56/09/746945609.db2.gz INQTULOMDYTGOB-LZWOXQAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnccn2)C1 ZINC000978952487 746945611 /nfs/dbraw/zinc/94/56/11/746945611.db2.gz INQTULOMDYTGOB-LZWOXQAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000978971541 746974544 /nfs/dbraw/zinc/97/45/44/746974544.db2.gz JEWBBDKJTIPZTG-PHZGNYQRSA-N 1 1 329.400 0.384 20 30 ECEDMO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001059445658 746974687 /nfs/dbraw/zinc/97/46/87/746974687.db2.gz ANBDQKWWOLMIFK-BHPKHCPMSA-N 1 1 342.403 0.271 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000984890705 747049583 /nfs/dbraw/zinc/04/95/83/747049583.db2.gz JUARUPBCCDKLQD-OFQRWUPVSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC000979019824 747068149 /nfs/dbraw/zinc/06/81/49/747068149.db2.gz ZRGBYHHXESJPEU-APIJFGDWSA-N 1 1 341.839 0.280 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C[C@@H]2C1 ZINC001088019004 747073625 /nfs/dbraw/zinc/07/36/25/747073625.db2.gz SRIVSSGPESVPQI-KFWWJZLASA-N 1 1 345.447 0.903 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@@H]2C1 ZINC001088025737 747100050 /nfs/dbraw/zinc/10/00/50/747100050.db2.gz YJMNBKLDTQUYIL-WBVHZDCISA-N 1 1 343.427 0.522 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)O1 ZINC001059461545 747128406 /nfs/dbraw/zinc/12/84/06/747128406.db2.gz NPBILFTULOIAJK-HKUMRIAESA-N 1 1 330.392 0.126 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)O1 ZINC001059461545 747128409 /nfs/dbraw/zinc/12/84/09/747128409.db2.gz NPBILFTULOIAJK-HKUMRIAESA-N 1 1 330.392 0.126 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CCCC)C[C@@H]2C1 ZINC001088052787 747159391 /nfs/dbraw/zinc/15/93/91/747159391.db2.gz IEASYPGBKAUHDB-FGTMMUONSA-N 1 1 333.476 0.901 20 30 ECEDMO N#Cc1cc(C[NH+]2CCC(NC(=O)Cn3cnnn3)CC2)ccc1F ZINC001002302717 747194278 /nfs/dbraw/zinc/19/42/78/747194278.db2.gz FDHVQMSSIDZWCE-UHFFFAOYSA-N 1 1 343.366 0.465 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)nn1 ZINC001029507499 747199798 /nfs/dbraw/zinc/19/97/98/747199798.db2.gz NRIUSTFDYVSKOF-OKILXGFUSA-N 1 1 342.407 0.045 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)nn1 ZINC001029507499 747199801 /nfs/dbraw/zinc/19/98/01/747199801.db2.gz NRIUSTFDYVSKOF-OKILXGFUSA-N 1 1 342.407 0.045 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(C)no3)CC2)C1=O ZINC001002335408 747226945 /nfs/dbraw/zinc/22/69/45/747226945.db2.gz SAVTYBOTUXYHNJ-CQSZACIVSA-N 1 1 332.404 0.964 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001088074597 747234069 /nfs/dbraw/zinc/23/40/69/747234069.db2.gz VQRSWIOGACCSLI-RDBSUJKOSA-N 1 1 325.840 0.998 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001088074597 747234072 /nfs/dbraw/zinc/23/40/72/747234072.db2.gz VQRSWIOGACCSLI-RDBSUJKOSA-N 1 1 325.840 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@@H]2C1 ZINC001088082913 747289351 /nfs/dbraw/zinc/28/93/51/747289351.db2.gz QVYVYIGHQJHUNY-XHSDSOJGSA-N 1 1 341.459 0.724 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CCC([NH2+]Cc3nnn(C)n3)CC2)C1 ZINC001105462761 752170967 /nfs/dbraw/zinc/17/09/67/752170967.db2.gz WBDXMJWWWXHTKP-UHFFFAOYSA-N 1 1 348.451 0.806 20 30 ECEDMO COCCN(CCNC(=O)CSCC#N)c1cc(C)[nH+]c(C)n1 ZINC001126207204 747366193 /nfs/dbraw/zinc/36/61/93/747366193.db2.gz AZSMLCGREBHLGB-UHFFFAOYSA-N 1 1 337.449 0.919 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001002485985 747421074 /nfs/dbraw/zinc/42/10/74/747421074.db2.gz MFGQKTJFHSGIQU-CVEARBPZSA-N 1 1 333.432 0.180 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001002485985 747421077 /nfs/dbraw/zinc/42/10/77/747421077.db2.gz MFGQKTJFHSGIQU-CVEARBPZSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@@H]2C1 ZINC001088137241 747469138 /nfs/dbraw/zinc/46/91/38/747469138.db2.gz FOAIBZBPUVPBFE-VYDXJSESSA-N 1 1 338.473 0.757 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 ZINC001088140021 747487104 /nfs/dbraw/zinc/48/71/04/747487104.db2.gz POJYYRLZGMUOQN-YPMHNXCESA-N 1 1 339.823 0.572 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 ZINC001088140021 747487108 /nfs/dbraw/zinc/48/71/08/747487108.db2.gz POJYYRLZGMUOQN-YPMHNXCESA-N 1 1 339.823 0.572 20 30 ECEDMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979283744 747531511 /nfs/dbraw/zinc/53/15/11/747531511.db2.gz ABFVWXMQFHQUMO-ABAIWWIYSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@H]([NH2+]Cc1cnn(C)n1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979286691 747538342 /nfs/dbraw/zinc/53/83/42/747538342.db2.gz CQLPKLCFALTLOW-XHDPSFHLSA-N 1 1 343.391 0.034 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnsn2)C1=O ZINC001027771326 747588801 /nfs/dbraw/zinc/58/88/01/747588801.db2.gz NHHYBKZWKMLFOG-AAEUAGOBSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnsn2)C1=O ZINC001027771326 747588807 /nfs/dbraw/zinc/58/88/07/747588807.db2.gz NHHYBKZWKMLFOG-AAEUAGOBSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CCCO3)CC2)C1=O ZINC000985246099 747594806 /nfs/dbraw/zinc/59/48/06/747594806.db2.gz OMKNIIPENOFLAV-HOTGVXAUSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001027776682 747595683 /nfs/dbraw/zinc/59/56/83/747595683.db2.gz WJUNXLFERTXXSR-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001027776682 747595687 /nfs/dbraw/zinc/59/56/87/747595687.db2.gz WJUNXLFERTXXSR-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO CCn1nncc1C[NH+]1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001002649842 747617840 /nfs/dbraw/zinc/61/78/40/747617840.db2.gz XVPVXWGPCCJTPJ-UHFFFAOYSA-N 1 1 327.392 0.892 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1C ZINC000979339831 747640814 /nfs/dbraw/zinc/64/08/14/747640814.db2.gz WEVKVIRASPTJKE-ZFWWWQNUSA-N 1 1 345.447 0.496 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]2C1 ZINC001088183588 747693279 /nfs/dbraw/zinc/69/32/79/747693279.db2.gz NEOBJSKTDWXRRY-OLMNPRSZSA-N 1 1 339.439 0.865 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)[C@H]1COC(=O)N1 ZINC001002721796 747699016 /nfs/dbraw/zinc/69/90/16/747699016.db2.gz JPQDGRRLSANOKO-MRXNPFEDSA-N 1 1 345.374 0.866 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc4nccc(C)n4n3)C[C@@H]2C1 ZINC001088190144 747701890 /nfs/dbraw/zinc/70/18/90/747701890.db2.gz KQGRVGAFYBAVHP-CABCVRRESA-N 1 1 338.415 0.850 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]Cc3ncnn3C)C2)C1 ZINC000979379010 747705854 /nfs/dbraw/zinc/70/58/54/747705854.db2.gz NYHIDXPSESAONG-ZIAGYGMSSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3ccnn3C)CC2)C1=O ZINC000985327148 747710484 /nfs/dbraw/zinc/71/04/84/747710484.db2.gz YTBAJTOAUQMNEE-OAHLLOKOSA-N 1 1 345.447 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCOC1 ZINC000936605337 747731568 /nfs/dbraw/zinc/73/15/68/747731568.db2.gz COEYDRBXWCPHRA-QAETUUGQSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCOC1 ZINC000936605337 747731575 /nfs/dbraw/zinc/73/15/75/747731575.db2.gz COEYDRBXWCPHRA-QAETUUGQSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001088226277 747774221 /nfs/dbraw/zinc/77/42/21/747774221.db2.gz KRFKQYWYCNALTR-QGZVFWFLSA-N 1 1 330.432 0.846 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3COCCO3)CC2)C1 ZINC001088229304 747779621 /nfs/dbraw/zinc/77/96/21/747779621.db2.gz NHNXCWXOAZQCEX-DLBZAZTESA-N 1 1 336.432 0.365 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001088233247 747789429 /nfs/dbraw/zinc/78/94/29/747789429.db2.gz LQTQCKVAEHHNBY-INIZCTEOSA-N 1 1 345.447 0.782 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)C1 ZINC001002790637 747790880 /nfs/dbraw/zinc/79/08/80/747790880.db2.gz NYNCVFVYTQMHQA-CUBALJKWSA-N 1 1 341.415 0.700 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC001088233906 747800116 /nfs/dbraw/zinc/80/01/16/747800116.db2.gz CPRLDXZTDCBSCC-MRXNPFEDSA-N 1 1 349.475 0.851 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cnnn3CC)CC2)C1 ZINC001088233804 747804899 /nfs/dbraw/zinc/80/48/99/747804899.db2.gz ZXPRWKUSHOLDAD-MRXNPFEDSA-N 1 1 345.447 0.874 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985380699 747838861 /nfs/dbraw/zinc/83/88/61/747838861.db2.gz NNFOPMSMCNPZAG-LLVKDONJSA-N 1 1 342.407 0.707 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985380699 747838866 /nfs/dbraw/zinc/83/88/66/747838866.db2.gz NNFOPMSMCNPZAG-LLVKDONJSA-N 1 1 342.407 0.707 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cccc(C)n2)C1 ZINC001002830509 747847676 /nfs/dbraw/zinc/84/76/76/747847676.db2.gz VCGPZGIOEZJNBG-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cccc(C)n2)C1 ZINC001002830509 747847685 /nfs/dbraw/zinc/84/76/85/747847685.db2.gz VCGPZGIOEZJNBG-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2occc2C)C1 ZINC001002834638 747855364 /nfs/dbraw/zinc/85/53/64/747855364.db2.gz HFSWMDDXATUDKY-INIZCTEOSA-N 1 1 343.427 0.803 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2occc2C)C1 ZINC001002834638 747855373 /nfs/dbraw/zinc/85/53/73/747855373.db2.gz HFSWMDDXATUDKY-INIZCTEOSA-N 1 1 343.427 0.803 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2cscn2)C1 ZINC001002837095 747859933 /nfs/dbraw/zinc/85/99/33/747859933.db2.gz XTVOFLKVRKKNMP-HNNXBMFYSA-N 1 1 346.456 0.358 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2cscn2)C1 ZINC001002837095 747859941 /nfs/dbraw/zinc/85/99/41/747859941.db2.gz XTVOFLKVRKKNMP-HNNXBMFYSA-N 1 1 346.456 0.358 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001088239662 747931597 /nfs/dbraw/zinc/93/15/97/747931597.db2.gz COQFOMWVFDMAES-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3ccn(C)n3)CC2)C1 ZINC001088240026 747942721 /nfs/dbraw/zinc/94/27/21/747942721.db2.gz NJFCYVGTMHZWSV-MRXNPFEDSA-N 1 1 330.432 0.996 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001088240133 747942887 /nfs/dbraw/zinc/94/28/87/747942887.db2.gz PRDWEBZMAOGSJB-HNNXBMFYSA-N 1 1 331.420 0.310 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027813463 748005321 /nfs/dbraw/zinc/00/53/21/748005321.db2.gz UFLSKIYGDPAONI-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979567936 748056324 /nfs/dbraw/zinc/05/63/24/748056324.db2.gz RRSJLHCZGAHESZ-WHOFXGATSA-N 1 1 329.404 0.605 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000979607863 748097930 /nfs/dbraw/zinc/09/79/30/748097930.db2.gz QNBIMZMKYBEBTD-YDHLFZDLSA-N 1 1 343.431 0.853 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC000979623065 748115496 /nfs/dbraw/zinc/11/54/96/748115496.db2.gz VYXQRYLVTLSWAR-IHRRRGAJSA-N 1 1 329.404 0.463 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001075856028 748176467 /nfs/dbraw/zinc/17/64/67/748176467.db2.gz ZPDBTKUAGKXMPU-YESZJQIVSA-N 1 1 349.475 0.980 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001029738137 748193381 /nfs/dbraw/zinc/19/33/81/748193381.db2.gz VEWMVHMTSFTNDV-MRXNPFEDSA-N 1 1 339.403 0.525 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C[C@@H]2CCNC(=O)CC2)[nH]1 ZINC001027831185 748275262 /nfs/dbraw/zinc/27/52/62/748275262.db2.gz NMRUIZHCYKNOBN-ZFWWWQNUSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)CCCn3cc[nH+]c3C)C2)nn1 ZINC001105344380 748334623 /nfs/dbraw/zinc/33/46/23/748334623.db2.gz ZYUWKFUFYBWANW-UHFFFAOYSA-N 1 1 343.435 0.922 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027836737 748406234 /nfs/dbraw/zinc/40/62/34/748406234.db2.gz WYMDXPWVPFSXPZ-GJZGRUSLSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027836737 748406239 /nfs/dbraw/zinc/40/62/39/748406239.db2.gz WYMDXPWVPFSXPZ-GJZGRUSLSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(=O)n(C)cn3)C[C@@H]2C1 ZINC000979798875 748415862 /nfs/dbraw/zinc/41/58/62/748415862.db2.gz VYCPABPJCNOGLG-ZNMIVQPWSA-N 1 1 328.416 0.634 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(=O)n(C)cn3)C[C@H]2C1 ZINC000979798874 748415943 /nfs/dbraw/zinc/41/59/43/748415943.db2.gz VYCPABPJCNOGLG-SOUVJXGZSA-N 1 1 328.416 0.634 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(OC)no2)C1=O ZINC001027838106 748424000 /nfs/dbraw/zinc/42/40/00/748424000.db2.gz MMSZHQKHAUOUII-STQMWFEESA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(OC)no2)C1=O ZINC001027838106 748424005 /nfs/dbraw/zinc/42/40/05/748424005.db2.gz MMSZHQKHAUOUII-STQMWFEESA-N 1 1 348.403 0.664 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3ccc(C)n3)C2)nn1 ZINC001098727892 748440770 /nfs/dbraw/zinc/44/07/70/748440770.db2.gz JKGQOIVAKZADNV-HNNXBMFYSA-N 1 1 329.408 0.532 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3nnc(C)[nH]3)C2)C1=O ZINC001007308026 752274400 /nfs/dbraw/zinc/27/44/00/752274400.db2.gz JZHKQPGVFSOANB-UONOGXRCSA-N 1 1 346.435 0.023 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3nnc(C)[nH]3)C2)C1=O ZINC001007308026 752274403 /nfs/dbraw/zinc/27/44/03/752274403.db2.gz JZHKQPGVFSOANB-UONOGXRCSA-N 1 1 346.435 0.023 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001029811424 748535110 /nfs/dbraw/zinc/53/51/10/748535110.db2.gz FEYULGSCHNQHMO-FIDHJVLJSA-N 1 1 347.459 0.446 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001029811426 748535347 /nfs/dbraw/zinc/53/53/47/748535347.db2.gz FEYULGSCHNQHMO-UUAJXVIYSA-N 1 1 347.459 0.446 20 30 ECEDMO Cn1nnnc1C[NH2+][C@H]1CCCCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001088299048 748562306 /nfs/dbraw/zinc/56/23/06/748562306.db2.gz CMCNTTSXGRIXCX-ZDUSSCGKSA-N 1 1 342.407 0.584 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnnc(C)c2)C1=O ZINC001027848977 748619951 /nfs/dbraw/zinc/61/99/51/748619951.db2.gz PFXSSYOIJHJRCL-JKSUJKDBSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnnc(C)c2)C1=O ZINC001027848977 748619954 /nfs/dbraw/zinc/61/99/54/748619954.db2.gz PFXSSYOIJHJRCL-JKSUJKDBSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)c3n[nH]cc3F)CC2)C1=O ZINC001003576441 748698493 /nfs/dbraw/zinc/69/84/93/748698493.db2.gz XYPVZQYLYXNFPI-ZDUSSCGKSA-N 1 1 335.383 0.530 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC001003595819 748712229 /nfs/dbraw/zinc/71/22/29/748712229.db2.gz GTNRLCGHQYADJE-UHFFFAOYSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3ccn(C)n3)C2)C1=O ZINC001007322229 752290404 /nfs/dbraw/zinc/29/04/04/752290404.db2.gz WLVGPKWZISFZPQ-CVEARBPZSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ccn(C)n3)C2)C1=O ZINC001007322229 752290407 /nfs/dbraw/zinc/29/04/07/752290407.db2.gz WLVGPKWZISFZPQ-CVEARBPZSA-N 1 1 345.447 0.330 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cscn2)C1 ZINC000979966574 748726866 /nfs/dbraw/zinc/72/68/66/748726866.db2.gz AMZSSRIRJUGMFV-YDHLFZDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cscn2)C1 ZINC000979966574 748726870 /nfs/dbraw/zinc/72/68/70/748726870.db2.gz AMZSSRIRJUGMFV-YDHLFZDLSA-N 1 1 346.456 0.865 20 30 ECEDMO N#Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)ccc1F ZINC001003640784 748752460 /nfs/dbraw/zinc/75/24/60/748752460.db2.gz RKEFMYCQKMYOOV-CABCVRRESA-N 1 1 344.390 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000979967124 748759319 /nfs/dbraw/zinc/75/93/19/748759319.db2.gz GVCVOIFOJOKFJS-KKUMJFAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000979967124 748759321 /nfs/dbraw/zinc/75/93/21/748759321.db2.gz GVCVOIFOJOKFJS-KKUMJFAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccncc2)C1 ZINC000979967514 748759888 /nfs/dbraw/zinc/75/98/88/748759888.db2.gz MESOPBFOXDOESI-XIRDDKMYSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccncc2)C1 ZINC000979967514 748759890 /nfs/dbraw/zinc/75/98/90/748759890.db2.gz MESOPBFOXDOESI-XIRDDKMYSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC000979968672 748761974 /nfs/dbraw/zinc/76/19/74/748761974.db2.gz USUKNQIWNYXCNT-DZKIICNBSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC000979968672 748761979 /nfs/dbraw/zinc/76/19/79/748761979.db2.gz USUKNQIWNYXCNT-DZKIICNBSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](O)C(C)C ZINC001003675598 748784567 /nfs/dbraw/zinc/78/45/67/748784567.db2.gz YFTSGALZNUDBHI-UHDSXZAQSA-N 1 1 347.459 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](O)C(C)C ZINC001003675598 748784572 /nfs/dbraw/zinc/78/45/72/748784572.db2.gz YFTSGALZNUDBHI-UHDSXZAQSA-N 1 1 347.459 0.349 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)c(F)c1 ZINC001027861108 748797431 /nfs/dbraw/zinc/79/74/31/748797431.db2.gz RDOOKLFVBSMWNI-ZFWWWQNUSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)c(F)c1 ZINC001027861108 748797433 /nfs/dbraw/zinc/79/74/33/748797433.db2.gz RDOOKLFVBSMWNI-ZFWWWQNUSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)ccc1F ZINC001027860779 748816269 /nfs/dbraw/zinc/81/62/69/748816269.db2.gz LCVSUSMGDZHHBJ-HIFRSBDPSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)ccc1F ZINC001027860779 748816272 /nfs/dbraw/zinc/81/62/72/748816272.db2.gz LCVSUSMGDZHHBJ-HIFRSBDPSA-N 1 1 346.362 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cocc2C)C1 ZINC001003702717 748814356 /nfs/dbraw/zinc/81/43/56/748814356.db2.gz NWRHQCISRDKVFO-INIZCTEOSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cocc2C)C1 ZINC001003702717 748814360 /nfs/dbraw/zinc/81/43/60/748814360.db2.gz NWRHQCISRDKVFO-INIZCTEOSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC000980073559 748942182 /nfs/dbraw/zinc/94/21/82/748942182.db2.gz BFXQYTXGRGMQQO-GPANFISMSA-N 1 1 343.431 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC000980073559 748942188 /nfs/dbraw/zinc/94/21/88/748942188.db2.gz BFXQYTXGRGMQQO-GPANFISMSA-N 1 1 343.431 0.665 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CS(=O)(=O)C3)C[C@@H]2C1 ZINC000980085442 748943045 /nfs/dbraw/zinc/94/30/45/748943045.db2.gz NBTNCSGEYCCFAD-XHSDSOJGSA-N 1 1 338.473 0.661 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)c2cnc(C#N)cn2)O1 ZINC001112194553 748971986 /nfs/dbraw/zinc/97/19/86/748971986.db2.gz JMTGRBUHRCKHIP-UKRRQHHQSA-N 1 1 346.435 0.352 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)c2cnc(C#N)cn2)O1 ZINC001112194553 748971992 /nfs/dbraw/zinc/97/19/92/748971992.db2.gz JMTGRBUHRCKHIP-UKRRQHHQSA-N 1 1 346.435 0.352 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2nc3nc(C)cc(C)n3n2)CC1 ZINC000985777641 749071663 /nfs/dbraw/zinc/07/16/63/749071663.db2.gz QLCSQOOTPFBYKL-UHFFFAOYSA-N 1 1 326.404 0.911 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]2C1 ZINC000980180870 749116594 /nfs/dbraw/zinc/11/65/94/749116594.db2.gz BCKSDUUXQRJWJM-NWANDNLSSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(=O)n(CC)n3)C[C@@H]2C1 ZINC000980194997 749128909 /nfs/dbraw/zinc/12/89/09/749128909.db2.gz TZSGLVWSRLFKGV-RRFJBIMHSA-N 1 1 328.416 0.727 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980186937 749139714 /nfs/dbraw/zinc/13/97/14/749139714.db2.gz QBOJNNUBXNHVHL-GARJFASQSA-N 1 1 330.226 0.597 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000985822208 749169832 /nfs/dbraw/zinc/16/98/32/749169832.db2.gz HKEYKGDMVSAVET-MRXNPFEDSA-N 1 1 348.447 0.071 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)CC1 ZINC000985826102 749184372 /nfs/dbraw/zinc/18/43/72/749184372.db2.gz VIAQSCQTVAYRFJ-HNNXBMFYSA-N 1 1 331.420 0.051 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)ccc3=O)C[C@@H]2C1 ZINC000980205085 749199469 /nfs/dbraw/zinc/19/94/69/749199469.db2.gz APQBZVIIRRWRQY-BBWFWOEESA-N 1 1 342.443 0.792 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC000980223514 749205086 /nfs/dbraw/zinc/20/50/86/749205086.db2.gz WJIXHOKIZKXHMW-MELADBBJSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 ZINC000980234180 749216847 /nfs/dbraw/zinc/21/68/47/749216847.db2.gz WBZNHCWNEDQLJM-JYJNAYRXSA-N 1 1 345.447 0.130 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccn(C)c2C)C1 ZINC001004151063 749265654 /nfs/dbraw/zinc/26/56/54/749265654.db2.gz IUJLDMWJQAPSKX-KRWDZBQOSA-N 1 1 342.443 0.619 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccn(C)c2C)C1 ZINC001004151063 749265657 /nfs/dbraw/zinc/26/56/57/749265657.db2.gz IUJLDMWJQAPSKX-KRWDZBQOSA-N 1 1 342.443 0.619 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN([C@@H](CC)C(N)=O)CC2)CC1 ZINC001004201135 749307385 /nfs/dbraw/zinc/30/73/85/749307385.db2.gz JYXJPVXHFFBERU-INIZCTEOSA-N 1 1 334.464 0.176 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CCNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001059674119 749334454 /nfs/dbraw/zinc/33/44/54/749334454.db2.gz JHZGRPBMDLPWGZ-UKRRQHHQSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001004350585 749417464 /nfs/dbraw/zinc/41/74/64/749417464.db2.gz LLKAUIRIAIHGDR-OAHLLOKOSA-N 1 1 326.462 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(=O)[nH]n3)[C@H]2C)C1=O ZINC001088456293 749451148 /nfs/dbraw/zinc/45/11/48/749451148.db2.gz JFQPQLHQHBENBE-MBNYWOFBSA-N 1 1 345.403 0.162 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(=O)[nH]n3)[C@H]2C)C1=O ZINC001088456293 749451153 /nfs/dbraw/zinc/45/11/53/749451153.db2.gz JFQPQLHQHBENBE-MBNYWOFBSA-N 1 1 345.403 0.162 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC(N)=O)CC2)c[nH]1 ZINC001004422213 749479165 /nfs/dbraw/zinc/47/91/65/749479165.db2.gz WMKDNBBCMYMUMJ-HNNXBMFYSA-N 1 1 329.404 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cnnn3C)C2)cn1 ZINC001029893037 749480297 /nfs/dbraw/zinc/48/02/97/749480297.db2.gz YTKFALOBASUMSX-CQSZACIVSA-N 1 1 338.415 0.786 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001004471589 749539789 /nfs/dbraw/zinc/53/97/89/749539789.db2.gz AXSMXCHLUYMIET-INIZCTEOSA-N 1 1 345.447 0.308 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001004473053 749541864 /nfs/dbraw/zinc/54/18/64/749541864.db2.gz JZVCDGHPJQMESJ-MRXNPFEDSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001112101442 761960677 /nfs/dbraw/zinc/96/06/77/761960677.db2.gz NLYUPFQADGBYIC-IJLUTSLNSA-N 1 1 349.353 0.140 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001004497181 749570058 /nfs/dbraw/zinc/57/00/58/749570058.db2.gz ABDXFJMQEOLOBP-KRWDZBQOSA-N 1 1 346.475 0.145 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC000980440765 749598800 /nfs/dbraw/zinc/59/88/00/749598800.db2.gz SQLNOAZKMWSTSR-KGLIPLIRSA-N 1 1 329.828 0.519 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC000980440765 749598804 /nfs/dbraw/zinc/59/88/04/749598804.db2.gz SQLNOAZKMWSTSR-KGLIPLIRSA-N 1 1 329.828 0.519 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC000986189801 749648403 /nfs/dbraw/zinc/64/84/03/749648403.db2.gz XNEGEOJDULTDSP-NHYWBVRUSA-N 1 1 327.392 0.891 20 30 ECEDMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000980510504 749658701 /nfs/dbraw/zinc/65/87/01/749658701.db2.gz YWONRDFVWPCABC-WDEREUQCSA-N 1 1 328.380 0.050 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nnc(C)o1 ZINC001027943926 749675885 /nfs/dbraw/zinc/67/58/85/749675885.db2.gz PPBYWJQAGHDHFS-CABCVRRESA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nnc(C)o1 ZINC001027943926 749675890 /nfs/dbraw/zinc/67/58/90/749675890.db2.gz PPBYWJQAGHDHFS-CABCVRRESA-N 1 1 331.420 0.556 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001004609061 749680629 /nfs/dbraw/zinc/68/06/29/749680629.db2.gz DQOXXIALIZWQHW-MRXNPFEDSA-N 1 1 347.463 0.779 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004632419 749710798 /nfs/dbraw/zinc/71/07/98/749710798.db2.gz FKGBRDGGKOXBEB-JKSUJKDBSA-N 1 1 345.443 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3nonc3C)C2)C1=O ZINC000980543652 749751198 /nfs/dbraw/zinc/75/11/98/749751198.db2.gz LUDFLFMGMBATMO-CHWSQXEVSA-N 1 1 333.392 0.311 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001027950347 749782814 /nfs/dbraw/zinc/78/28/14/749782814.db2.gz CDUFVFOLQXZRDI-KGLIPLIRSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)C[C@@H]1C ZINC000980605452 749841227 /nfs/dbraw/zinc/84/12/27/749841227.db2.gz SSSZBRKCGFDQJT-UONOGXRCSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1=O ZINC000980666195 749944194 /nfs/dbraw/zinc/94/41/94/749944194.db2.gz YARURXZRPADOGM-CQSZACIVSA-N 1 1 345.403 0.117 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1=O ZINC000980666195 749944198 /nfs/dbraw/zinc/94/41/98/749944198.db2.gz YARURXZRPADOGM-CQSZACIVSA-N 1 1 345.403 0.117 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(CC)c3)[C@H]2C)C1=O ZINC001088499036 750002499 /nfs/dbraw/zinc/00/24/99/750002499.db2.gz GPTBSHDXVOVYTH-VNQPRFMTSA-N 1 1 345.447 0.883 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CC)c3)[C@H]2C)C1=O ZINC001088499036 750002504 /nfs/dbraw/zinc/00/25/04/750002504.db2.gz GPTBSHDXVOVYTH-VNQPRFMTSA-N 1 1 345.447 0.883 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)[C@H]1CCNC1=O ZINC001029953008 750057494 /nfs/dbraw/zinc/05/74/94/750057494.db2.gz NOZGQROZTRQCJK-HNNXBMFYSA-N 1 1 329.404 0.559 20 30 ECEDMO Cn1cnnc1C[N@H+](C)CC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001029958084 750080308 /nfs/dbraw/zinc/08/03/08/750080308.db2.gz HCLMXNFZOFGLQG-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1cnnc1C[N@@H+](C)CC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001029958084 750080313 /nfs/dbraw/zinc/08/03/13/750080313.db2.gz HCLMXNFZOFGLQG-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)CC[NH+]2CCOCC2)n1 ZINC001105434039 750082115 /nfs/dbraw/zinc/08/21/15/750082115.db2.gz GTZZDUYMEFWCEM-UHFFFAOYSA-N 1 1 346.435 0.274 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027975937 750128026 /nfs/dbraw/zinc/12/80/26/750128026.db2.gz YMIWXSJMAYNLSW-LBPRGKRZSA-N 1 1 327.406 0.697 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nnn(C)c3C)[C@H]2C)C1=O ZINC001088503343 750142867 /nfs/dbraw/zinc/14/28/67/750142867.db2.gz CJEADFMWBXRVBF-KWCYVHTRSA-N 1 1 346.435 0.103 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nnn(C)c3C)[C@H]2C)C1=O ZINC001088503343 750142870 /nfs/dbraw/zinc/14/28/70/750142870.db2.gz CJEADFMWBXRVBF-KWCYVHTRSA-N 1 1 346.435 0.103 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC000986595290 750167926 /nfs/dbraw/zinc/16/79/26/750167926.db2.gz PNPHQYVHSVWGSE-OAGGEKHMSA-N 1 1 348.447 0.175 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058849384 750171045 /nfs/dbraw/zinc/17/10/45/750171045.db2.gz SSRRHOQTYISGFG-CABCVRRESA-N 1 1 337.464 0.171 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNCc3cnon3)C[C@@H]2C)CC1 ZINC000980816755 750212533 /nfs/dbraw/zinc/21/25/33/750212533.db2.gz VTUGOCQMHWZOBN-LSDHHAIUSA-N 1 1 345.447 0.741 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC(C)C)C2)C1 ZINC001059736917 750262356 /nfs/dbraw/zinc/26/23/56/750262356.db2.gz FRHVOHRDEWVJDN-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC(C)C)C2)C1 ZINC001059736917 750262362 /nfs/dbraw/zinc/26/23/62/750262362.db2.gz FRHVOHRDEWVJDN-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO CN1CCO[C@H](C(=O)N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)C1 ZINC000980894629 750316194 /nfs/dbraw/zinc/31/61/94/750316194.db2.gz WPUGCRHVDDGWQP-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO CN1CCO[C@H](C(=O)N2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)C1 ZINC000980894629 750316202 /nfs/dbraw/zinc/31/62/02/750316202.db2.gz WPUGCRHVDDGWQP-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO Cn1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)cc1=O ZINC000980991969 750426502 /nfs/dbraw/zinc/42/65/02/750426502.db2.gz WNCFTSXYECKKOF-UHFFFAOYSA-N 1 1 339.399 0.933 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)[nH]1 ZINC000980991997 750427160 /nfs/dbraw/zinc/42/71/60/750427160.db2.gz XOGHXHGKPSZGML-UHFFFAOYSA-N 1 1 330.392 0.059 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)[nH]1 ZINC000980991997 750427163 /nfs/dbraw/zinc/42/71/63/750427163.db2.gz XOGHXHGKPSZGML-UHFFFAOYSA-N 1 1 330.392 0.059 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cnccn2)C1 ZINC001005619242 750451695 /nfs/dbraw/zinc/45/16/95/750451695.db2.gz DTABQIUMUNACCX-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cnccn2)C1 ZINC001005619242 750451697 /nfs/dbraw/zinc/45/16/97/750451697.db2.gz DTABQIUMUNACCX-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001005628711 750457995 /nfs/dbraw/zinc/45/79/95/750457995.db2.gz KTYZMVNPEFFUKL-UHFFFAOYSA-N 1 1 342.871 0.436 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nncs3)[C@@H]2C)nn1 ZINC000987130644 750516075 /nfs/dbraw/zinc/51/60/75/750516075.db2.gz ADAHAUNVGHSLRY-WDEREUQCSA-N 1 1 333.421 0.708 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cn(C)nc2C)CC1 ZINC000981361272 750624515 /nfs/dbraw/zinc/62/45/15/750624515.db2.gz CALMUABXLCSVAT-SFHVURJKSA-N 1 1 343.475 0.860 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cn(C)nc2C)CC1 ZINC000981361272 750624520 /nfs/dbraw/zinc/62/45/20/750624520.db2.gz CALMUABXLCSVAT-SFHVURJKSA-N 1 1 343.475 0.860 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cn(C)nc2C)CC1 ZINC000981361272 750624523 /nfs/dbraw/zinc/62/45/23/750624523.db2.gz CALMUABXLCSVAT-SFHVURJKSA-N 1 1 343.475 0.860 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2cn(C)nc2C)CC1 ZINC000981361272 750624528 /nfs/dbraw/zinc/62/45/28/750624528.db2.gz CALMUABXLCSVAT-SFHVURJKSA-N 1 1 343.475 0.860 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CCn2cccn2)CC1 ZINC000981365127 750628258 /nfs/dbraw/zinc/62/82/58/750628258.db2.gz IGDDJJNEMORJKV-KRWDZBQOSA-N 1 1 329.448 0.515 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001005826190 750694269 /nfs/dbraw/zinc/69/42/69/750694269.db2.gz FEZOADCVLMHNBR-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001005864982 750744149 /nfs/dbraw/zinc/74/41/49/750744149.db2.gz FQSWAQPSWMVRML-LLVKDONJSA-N 1 1 340.387 0.668 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC000981669200 750948142 /nfs/dbraw/zinc/94/81/42/750948142.db2.gz ISMXMJIGQZGNFQ-CYBMUJFWSA-N 1 1 332.404 0.219 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000981722559 751003749 /nfs/dbraw/zinc/00/37/49/751003749.db2.gz ZZHVHYSLVFWNKY-AWEZNQCLSA-N 1 1 329.404 0.688 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000987633746 751031740 /nfs/dbraw/zinc/03/17/40/751031740.db2.gz ITUWPVHEOSSURO-NFAWXSAZSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C2)C1 ZINC000981771810 751096207 /nfs/dbraw/zinc/09/62/07/751096207.db2.gz AKKXRULOUYUHOS-UHFFFAOYSA-N 1 1 345.443 0.719 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C(C)C ZINC001058900058 751231924 /nfs/dbraw/zinc/23/19/24/751231924.db2.gz CAVKXRNTTLJOMV-HOTGVXAUSA-N 1 1 337.464 0.313 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C(C)C ZINC001058900058 751231925 /nfs/dbraw/zinc/23/19/25/751231925.db2.gz CAVKXRNTTLJOMV-HOTGVXAUSA-N 1 1 337.464 0.313 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cnco2)C1 ZINC001006313983 751233002 /nfs/dbraw/zinc/23/30/02/751233002.db2.gz JAHBLOQEELEADH-JSGCOSHPSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cnco2)C1 ZINC001006313983 751233006 /nfs/dbraw/zinc/23/30/06/751233006.db2.gz JAHBLOQEELEADH-JSGCOSHPSA-N 1 1 330.388 0.349 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981877273 751237377 /nfs/dbraw/zinc/23/73/77/751237377.db2.gz ZUBUTYXOFJJXKO-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981877273 751237382 /nfs/dbraw/zinc/23/73/82/751237382.db2.gz ZUBUTYXOFJJXKO-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nc(C)nn4C3)C2)C1 ZINC000981909839 751264587 /nfs/dbraw/zinc/26/45/87/751264587.db2.gz KOIOVAGVOBMZIS-HNNXBMFYSA-N 1 1 327.432 0.707 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087435859 751311505 /nfs/dbraw/zinc/31/15/05/751311505.db2.gz LFXLCOOBCFUTAO-BRWVUGGUSA-N 1 1 340.427 0.665 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001087435859 751311508 /nfs/dbraw/zinc/31/15/08/751311508.db2.gz LFXLCOOBCFUTAO-BRWVUGGUSA-N 1 1 340.427 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1nc(C)ncc1C ZINC001111582649 751322623 /nfs/dbraw/zinc/32/26/23/751322623.db2.gz FUMKOZDBJYFRCL-INIZCTEOSA-N 1 1 345.447 0.424 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1nc(C)ncc1C ZINC001111582649 751322626 /nfs/dbraw/zinc/32/26/26/751322626.db2.gz FUMKOZDBJYFRCL-INIZCTEOSA-N 1 1 345.447 0.424 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007338979 752305446 /nfs/dbraw/zinc/30/54/46/752305446.db2.gz WGQWJWWYJYZOGP-UONOGXRCSA-N 1 1 329.404 0.367 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007338979 752305453 /nfs/dbraw/zinc/30/54/53/752305453.db2.gz WGQWJWWYJYZOGP-UONOGXRCSA-N 1 1 329.404 0.367 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ncccc1C#N ZINC001126350453 752321162 /nfs/dbraw/zinc/32/11/62/752321162.db2.gz XCSKFVPSWFZJGS-OAHLLOKOSA-N 1 1 331.420 0.474 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001007359819 752326842 /nfs/dbraw/zinc/32/68/42/752326842.db2.gz GNEZLJRXUWEWLO-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001007359819 752326846 /nfs/dbraw/zinc/32/68/46/752326846.db2.gz GNEZLJRXUWEWLO-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3nnnn3C)C2)nc1 ZINC001020947489 752374503 /nfs/dbraw/zinc/37/45/03/752374503.db2.gz ZKXSLVBQQQBKML-RAIGVLPGSA-N 1 1 325.376 0.198 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001007454886 752401243 /nfs/dbraw/zinc/40/12/43/752401243.db2.gz AJDCWCNSXHPZLU-CQSZACIVSA-N 1 1 334.420 0.094 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2[C@@H]2CCCNC2=O)CC1 ZINC001028333802 752413358 /nfs/dbraw/zinc/41/33/58/752413358.db2.gz RHQRJYKTFDJKOD-DLBZAZTESA-N 1 1 346.475 0.191 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001028334517 752414982 /nfs/dbraw/zinc/41/49/82/752414982.db2.gz BXKSJTFSQQHHHR-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1OC ZINC001212033435 752422893 /nfs/dbraw/zinc/42/28/93/752422893.db2.gz HHVGDQFZYLDPNM-BZUAXINKSA-N 1 1 344.452 0.038 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1OC ZINC001212032152 752430397 /nfs/dbraw/zinc/43/03/97/752430397.db2.gz MRNKVLGPQSQPIF-BRWVUGGUSA-N 1 1 334.416 0.738 20 30 ECEDMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)o1 ZINC001083444177 752436269 /nfs/dbraw/zinc/43/62/69/752436269.db2.gz QWIXFZXQKCEHKA-CABCVRRESA-N 1 1 341.371 0.154 20 30 ECEDMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)o1 ZINC001083444177 752436273 /nfs/dbraw/zinc/43/62/73/752436273.db2.gz QWIXFZXQKCEHKA-CABCVRRESA-N 1 1 341.371 0.154 20 30 ECEDMO COCCN(CCNC(=O)C[N@@H+](C)C(C)C)c1nc(C)cc(C#N)n1 ZINC001126360614 752436612 /nfs/dbraw/zinc/43/66/12/752436612.db2.gz MXHXOTOXLOKVQI-UHFFFAOYSA-N 1 1 348.451 0.566 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CCOC)c3)C2)nn1 ZINC001105368482 752470309 /nfs/dbraw/zinc/47/03/09/752470309.db2.gz YWQUQERJPLSGMC-UHFFFAOYSA-N 1 1 345.407 0.094 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001007519145 752475992 /nfs/dbraw/zinc/47/59/92/752475992.db2.gz JFFJTVPHPPIHOV-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccccn3)C2)C1=O ZINC001028372585 752493250 /nfs/dbraw/zinc/49/32/50/752493250.db2.gz VSGKJSRMIILKGU-ZBFHGGJFSA-N 1 1 328.416 0.920 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000988657485 752494637 /nfs/dbraw/zinc/49/46/37/752494637.db2.gz UOONAZOYHIDENJ-AAEUAGOBSA-N 1 1 327.392 0.891 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccncc3)C2)C1=O ZINC001028374882 752503033 /nfs/dbraw/zinc/50/30/33/752503033.db2.gz NUOBXSFLMRADMJ-HOCLYGCPSA-N 1 1 328.416 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C3CC3)C2)C1 ZINC001007557960 752529433 /nfs/dbraw/zinc/52/94/33/752529433.db2.gz MNEAKQUGYXDGSZ-QFBILLFUSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C3CC3)C2)C1 ZINC001007557960 752529439 /nfs/dbraw/zinc/52/94/39/752529439.db2.gz MNEAKQUGYXDGSZ-QFBILLFUSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CC2)C[C@H]1OCC ZINC000982505220 752608721 /nfs/dbraw/zinc/60/87/21/752608721.db2.gz SNRQHFQAZKBBBX-IXDOHACOSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CC2)C[C@H]1OCC ZINC000982505220 752608726 /nfs/dbraw/zinc/60/87/26/752608726.db2.gz SNRQHFQAZKBBBX-IXDOHACOSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cncnc3C)C2)C1=O ZINC001028423871 752610000 /nfs/dbraw/zinc/61/00/00/752610000.db2.gz SEOYBJHYFXQUBO-GOEBONIOSA-N 1 1 343.431 0.624 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001028432200 752624878 /nfs/dbraw/zinc/62/48/78/752624878.db2.gz YVQWXJOUGWDTJP-ZBFHGGJFSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cncs3)C2)C1=O ZINC001028432640 752626966 /nfs/dbraw/zinc/62/69/66/752626966.db2.gz GKXOKCNKZXLQFZ-QWHCGFSZSA-N 1 1 334.445 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccc[nH]2)[C@@H]1C ZINC000988733447 752628127 /nfs/dbraw/zinc/62/81/27/752628127.db2.gz DHQXEBVNPOEEHP-PVAVHDDUSA-N 1 1 342.443 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccc[nH]2)[C@@H]1C ZINC000988733447 752628133 /nfs/dbraw/zinc/62/81/33/752628133.db2.gz DHQXEBVNPOEEHP-PVAVHDDUSA-N 1 1 342.443 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnns2)[C@@H]1C ZINC000988738483 752640881 /nfs/dbraw/zinc/64/08/81/752640881.db2.gz OSVRJFDMJFQNKY-AGIUHOORSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnns2)[C@@H]1C ZINC000988738483 752640885 /nfs/dbraw/zinc/64/08/85/752640885.db2.gz OSVRJFDMJFQNKY-AGIUHOORSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](O)C(C)C)[C@@H]1C ZINC000988738751 752641822 /nfs/dbraw/zinc/64/18/22/752641822.db2.gz SQOBMDHJIBQKGS-FXUDXRNXSA-N 1 1 335.448 0.207 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](O)C(C)C)[C@@H]1C ZINC000988738751 752641826 /nfs/dbraw/zinc/64/18/26/752641826.db2.gz SQOBMDHJIBQKGS-FXUDXRNXSA-N 1 1 335.448 0.207 20 30 ECEDMO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCC(=O)N1 ZINC001028448681 752685058 /nfs/dbraw/zinc/68/50/58/752685058.db2.gz LWNTWODMHFURLQ-IAGOWNOFSA-N 1 1 325.412 0.755 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000938040496 752739171 /nfs/dbraw/zinc/73/91/71/752739171.db2.gz OYNRJLSVLPSPIW-VNQPRFMTSA-N 1 1 340.427 0.734 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)[nH]1 ZINC001028486202 752821516 /nfs/dbraw/zinc/82/15/16/752821516.db2.gz CIZNIJBBQFQSLB-GFCCVEGCSA-N 1 1 343.387 0.087 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486462 752821627 /nfs/dbraw/zinc/82/16/27/752821627.db2.gz GFBJSJQUHCIEPQ-RYUDHWBXSA-N 1 1 329.404 0.605 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028487326 752833492 /nfs/dbraw/zinc/83/34/92/752833492.db2.gz VFHLHPMCOAXEIM-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H](c1nncn1C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028491728 752835979 /nfs/dbraw/zinc/83/59/79/752835979.db2.gz IWJVOZUSNSGBAT-VXGBXAGGSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@H](c1nncn1C)[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028491728 752835985 /nfs/dbraw/zinc/83/59/85/752835985.db2.gz IWJVOZUSNSGBAT-VXGBXAGGSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001007719719 752856166 /nfs/dbraw/zinc/85/61/66/752856166.db2.gz UYGWLKKZUBLQLU-KDOFPFPSSA-N 1 1 348.447 0.460 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000982547740 752863098 /nfs/dbraw/zinc/86/30/98/752863098.db2.gz QEBALMVGGMLLAT-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@]2(C)C1 ZINC000982557258 752893838 /nfs/dbraw/zinc/89/38/38/752893838.db2.gz OJFGQOIAKVQHNQ-HDICACEKSA-N 1 1 328.416 0.921 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001059931293 752899677 /nfs/dbraw/zinc/89/96/77/752899677.db2.gz PPNRBEZCOGGVFW-KBPBESRZSA-N 1 1 328.420 0.633 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028505485 752960284 /nfs/dbraw/zinc/96/02/84/752960284.db2.gz HLCMCCQEPHDNSE-KRWDZBQOSA-N 1 1 340.427 0.975 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000982603444 753030630 /nfs/dbraw/zinc/03/06/30/753030630.db2.gz JHHLLHFFEXCXPP-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cnnn3CC)C2)C1=O ZINC001028526061 753066771 /nfs/dbraw/zinc/06/67/71/753066771.db2.gz OSXYTHNUQDLBPS-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001028549561 753111658 /nfs/dbraw/zinc/11/16/58/753111658.db2.gz RGBDUAFTKVTEKY-IMJJTQAJSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001028549561 753111661 /nfs/dbraw/zinc/11/16/61/753111661.db2.gz RGBDUAFTKVTEKY-IMJJTQAJSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC001126382779 753150285 /nfs/dbraw/zinc/15/02/85/753150285.db2.gz BVCBXTLWPKWKRE-SUMWQHHRSA-N 1 1 344.419 0.756 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC001007970317 753152531 /nfs/dbraw/zinc/15/25/31/753152531.db2.gz QKOJZDICEQBNAP-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccns3)C2)C1=O ZINC001028575888 753251046 /nfs/dbraw/zinc/25/10/46/753251046.db2.gz UKLYUFWACBSVBI-QWHCGFSZSA-N 1 1 334.445 0.982 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001051494927 762206261 /nfs/dbraw/zinc/20/62/61/762206261.db2.gz PNKLDUWPVKJXHJ-RYUDHWBXSA-N 1 1 334.424 0.579 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@]2(C)C1 ZINC000982728761 753428550 /nfs/dbraw/zinc/42/85/50/753428550.db2.gz OQADKFHBLRTUFV-CALCHBBNSA-N 1 1 342.403 0.388 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)s1 ZINC001008180340 753430767 /nfs/dbraw/zinc/43/07/67/753430767.db2.gz ZPNWLBTXSDYQQI-BXUZGUMPSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)s1 ZINC001008180340 753430771 /nfs/dbraw/zinc/43/07/71/753430771.db2.gz ZPNWLBTXSDYQQI-BXUZGUMPSA-N 1 1 332.429 0.836 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)[C@@H]1C ZINC001088631020 753442372 /nfs/dbraw/zinc/44/23/72/753442372.db2.gz NMOPGOPLTUZRRP-PVAVHDDUSA-N 1 1 329.448 0.597 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)[C@@H]1C ZINC001088631020 753442381 /nfs/dbraw/zinc/44/23/81/753442381.db2.gz NMOPGOPLTUZRRP-PVAVHDDUSA-N 1 1 329.448 0.597 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2csnn2)[C@@H]1C ZINC001088631198 753443325 /nfs/dbraw/zinc/44/33/25/753443325.db2.gz YCXCOUZCPKQZML-SNPRPXQTSA-N 1 1 333.461 0.715 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2csnn2)[C@@H]1C ZINC001088631198 753443327 /nfs/dbraw/zinc/44/33/27/753443327.db2.gz YCXCOUZCPKQZML-SNPRPXQTSA-N 1 1 333.461 0.715 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)n1 ZINC001008214261 753470802 /nfs/dbraw/zinc/47/08/02/753470802.db2.gz NTFJZJQPODPEKP-CQSZACIVSA-N 1 1 325.376 0.476 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC001008214261 753470806 /nfs/dbraw/zinc/47/08/06/753470806.db2.gz NTFJZJQPODPEKP-CQSZACIVSA-N 1 1 325.376 0.476 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn[nH]c(=O)c3)[C@H]2C)C1=O ZINC001088642315 753497202 /nfs/dbraw/zinc/49/72/02/753497202.db2.gz XYHVHDITBIHMBA-XBFCOCLRSA-N 1 1 345.403 0.162 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@H]2CCCO2)CC1(C)C ZINC001008274241 753535794 /nfs/dbraw/zinc/53/57/94/753535794.db2.gz AYQUUUDCPIHVGG-XHSDSOJGSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)[C@H]2CCCO2)CC1(C)C ZINC001008274241 753535796 /nfs/dbraw/zinc/53/57/96/753535796.db2.gz AYQUUUDCPIHVGG-XHSDSOJGSA-N 1 1 347.459 0.616 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000982780382 753548056 /nfs/dbraw/zinc/54/80/56/753548056.db2.gz CXDGKOVJKJVXOL-QWHCGFSZSA-N 1 1 329.404 0.416 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC001008296225 753564390 /nfs/dbraw/zinc/56/43/90/753564390.db2.gz QKIVRTCXHHEWKV-FZMZJTMJSA-N 1 1 347.419 0.863 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CCCO3)[C@@H](O)C2)cc1 ZINC001083351809 753645268 /nfs/dbraw/zinc/64/52/68/753645268.db2.gz OWZZKOLDCGFRGJ-BBWFWOEESA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CCCO3)[C@@H](O)C2)cc1 ZINC001083351809 753645274 /nfs/dbraw/zinc/64/52/74/753645274.db2.gz OWZZKOLDCGFRGJ-BBWFWOEESA-N 1 1 329.400 0.789 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3ccc(OC)nn32)[C@H]1C ZINC001088675602 753678811 /nfs/dbraw/zinc/67/88/11/753678811.db2.gz AKHNVFGWLGDBBS-OLZOCXBDSA-N 1 1 327.388 0.954 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CCOC3)[C@@H](O)C2)cc1 ZINC001083379990 753736259 /nfs/dbraw/zinc/73/62/59/753736259.db2.gz HFINIMNAGFRLRW-ZACQAIPSSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CCOC3)[C@@H](O)C2)cc1 ZINC001083379990 753736263 /nfs/dbraw/zinc/73/62/63/753736263.db2.gz HFINIMNAGFRLRW-ZACQAIPSSA-N 1 1 329.400 0.646 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001098685331 753765838 /nfs/dbraw/zinc/76/58/38/753765838.db2.gz FKISEEJOYSVZNE-IAGOWNOFSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685331 753765842 /nfs/dbraw/zinc/76/58/42/753765842.db2.gz FKISEEJOYSVZNE-IAGOWNOFSA-N 1 1 344.463 0.649 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cccc(=O)[nH]3)[C@@H](O)C2)cc1 ZINC001083389463 753777447 /nfs/dbraw/zinc/77/74/47/753777447.db2.gz FAIXRRAAZFQQAY-CVEARBPZSA-N 1 1 338.367 0.634 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cccc(=O)[nH]3)[C@@H](O)C2)cc1 ZINC001083389463 753777453 /nfs/dbraw/zinc/77/74/53/753777453.db2.gz FAIXRRAAZFQQAY-CVEARBPZSA-N 1 1 338.367 0.634 20 30 ECEDMO Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392500 753793601 /nfs/dbraw/zinc/79/36/01/753793601.db2.gz LOASZRZMONAWJB-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392500 753793603 /nfs/dbraw/zinc/79/36/03/753793603.db2.gz LOASZRZMONAWJB-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO CN(CCN(C)c1cnc(C#N)cn1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001105558819 753830263 /nfs/dbraw/zinc/83/02/63/753830263.db2.gz DPHJEYDVZOPOOG-UHFFFAOYSA-N 1 1 330.436 0.975 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001059058242 753837456 /nfs/dbraw/zinc/83/74/56/753837456.db2.gz YQPSLNLUUFELFV-ZDUSSCGKSA-N 1 1 328.420 0.515 20 30 ECEDMO CN(CCN(C)c1ccncc1C#N)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583027 753863014 /nfs/dbraw/zinc/86/30/14/753863014.db2.gz FOPAUKIFVNCVST-RDJZCZTQSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583319 753865550 /nfs/dbraw/zinc/86/55/50/753865550.db2.gz SLQWGYOTRKGNPP-SJORKVTESA-N 1 1 343.431 0.711 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccsn3)C2)C1=O ZINC001028620496 753952500 /nfs/dbraw/zinc/95/25/00/753952500.db2.gz BSMNCOYSMRNUGC-OCCSQVGLSA-N 1 1 334.445 0.982 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccsn3)C2)C1=O ZINC001028620495 753953027 /nfs/dbraw/zinc/95/30/27/753953027.db2.gz BSMNCOYSMRNUGC-JSGCOSHPSA-N 1 1 334.445 0.982 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001028624739 753967100 /nfs/dbraw/zinc/96/71/00/753967100.db2.gz GGZOJNAAYCKNNU-CABCVRRESA-N 1 1 330.432 0.919 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001008711984 754036762 /nfs/dbraw/zinc/03/67/62/754036762.db2.gz VHUFPGGXVRTKMD-CVEARBPZSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001008711984 754036769 /nfs/dbraw/zinc/03/67/69/754036769.db2.gz VHUFPGGXVRTKMD-CVEARBPZSA-N 1 1 345.447 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)CC2)nc1 ZINC000989512467 754063025 /nfs/dbraw/zinc/06/30/25/754063025.db2.gz LCKIDIGCFHOODV-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCCN(C)C3=O)CC2)nc1 ZINC000989512467 754063028 /nfs/dbraw/zinc/06/30/28/754063028.db2.gz LCKIDIGCFHOODV-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cc(OC)no3)C[C@H]2C)nn1 ZINC000989535585 754078937 /nfs/dbraw/zinc/07/89/37/754078937.db2.gz CDKYJLKVKCUPDJ-NEPJUHHUSA-N 1 1 346.391 0.854 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nncn3C)C[C@@H]2C)nn1 ZINC000989544079 754092854 /nfs/dbraw/zinc/09/28/54/754092854.db2.gz OUVFBVGIKXDULM-STQMWFEESA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCC[N@@H+]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557815 754113945 /nfs/dbraw/zinc/11/39/45/754113945.db2.gz TVPJSPHRDAERNB-OAHLLOKOSA-N 1 1 329.466 0.569 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3[nH]cnc3C)CC2)C1=O ZINC000989563602 754117259 /nfs/dbraw/zinc/11/72/59/754117259.db2.gz XUVCJSTXZVAMMX-INIZCTEOSA-N 1 1 345.447 0.582 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3[nH]cnc3C)CC2)C1=O ZINC000989563602 754117261 /nfs/dbraw/zinc/11/72/61/754117261.db2.gz XUVCJSTXZVAMMX-INIZCTEOSA-N 1 1 345.447 0.582 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@@H+]([C@H]2CCN(C)C2=O)CC1 ZINC000989565087 754120434 /nfs/dbraw/zinc/12/04/34/754120434.db2.gz ZHOOEESEBHSMGA-SFHVURJKSA-N 1 1 339.439 0.975 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@H+]([C@H]2CCN(C)C2=O)CC1 ZINC000989565087 754120438 /nfs/dbraw/zinc/12/04/38/754120438.db2.gz ZHOOEESEBHSMGA-SFHVURJKSA-N 1 1 339.439 0.975 20 30 ECEDMO CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000982908471 754153292 /nfs/dbraw/zinc/15/32/92/754153292.db2.gz HRYBBPDZJFGIQB-GVDBMIGSSA-N 1 1 347.459 0.331 20 30 ECEDMO CCn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC001051523662 762274037 /nfs/dbraw/zinc/27/40/37/762274037.db2.gz IPIQZWQXNBLVPR-AWEZNQCLSA-N 1 1 343.391 0.129 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](CCn3cncn3)C2)nn1 ZINC001008824780 754162932 /nfs/dbraw/zinc/16/29/32/754162932.db2.gz NRAVJIVHCRYJEQ-AWEZNQCLSA-N 1 1 344.423 0.340 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)C2)nn1 ZINC001008824780 754162937 /nfs/dbraw/zinc/16/29/37/754162937.db2.gz NRAVJIVHCRYJEQ-AWEZNQCLSA-N 1 1 344.423 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cscn2)C1 ZINC000991627438 762276541 /nfs/dbraw/zinc/27/65/41/762276541.db2.gz YQCXXIGEGBPALK-AWEZNQCLSA-N 1 1 332.429 0.110 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cscn2)C1 ZINC000991627438 762276549 /nfs/dbraw/zinc/27/65/49/762276549.db2.gz YQCXXIGEGBPALK-AWEZNQCLSA-N 1 1 332.429 0.110 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cccnc2)C1 ZINC000982920712 754199032 /nfs/dbraw/zinc/19/90/32/754199032.db2.gz FRBXVNHTZFQWDR-RDJZCZTQSA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cccnc2)C1 ZINC000982920712 754199038 /nfs/dbraw/zinc/19/90/38/754199038.db2.gz FRBXVNHTZFQWDR-RDJZCZTQSA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccn(C)c2)C1 ZINC000982923516 754210469 /nfs/dbraw/zinc/21/04/69/754210469.db2.gz PUXJLWYSKURGLF-RDJZCZTQSA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccn(C)c2)C1 ZINC000982923516 754210471 /nfs/dbraw/zinc/21/04/71/754210471.db2.gz PUXJLWYSKURGLF-RDJZCZTQSA-N 1 1 342.443 0.701 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001008883558 754255924 /nfs/dbraw/zinc/25/59/24/754255924.db2.gz QXCUTIJOCZUNGH-AYDFFVQHSA-N 1 1 341.415 0.415 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)Cn3cc[nH+]c3C)CC2)C1=O ZINC000989672852 754297711 /nfs/dbraw/zinc/29/77/11/754297711.db2.gz AWYZURYZZITBAO-MRXNPFEDSA-N 1 1 345.447 0.513 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001028655658 754308774 /nfs/dbraw/zinc/30/87/74/754308774.db2.gz RKUBTZBFLFXVIB-HNNXBMFYSA-N 1 1 331.416 0.570 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)COc2cccc(C(N)=O)c2)CC1 ZINC000989729712 754375590 /nfs/dbraw/zinc/37/55/90/754375590.db2.gz CCWJJXZZPSTJAW-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)COc2cccc(C(N)=O)c2)CC1 ZINC000989729712 754375596 /nfs/dbraw/zinc/37/55/96/754375596.db2.gz CCWJJXZZPSTJAW-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001009012359 754425899 /nfs/dbraw/zinc/42/58/99/754425899.db2.gz DSXUKNTXPJOASB-LSDHHAIUSA-N 1 1 331.420 0.532 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001009012359 754425903 /nfs/dbraw/zinc/42/59/03/754425903.db2.gz DSXUKNTXPJOASB-LSDHHAIUSA-N 1 1 331.420 0.532 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C)c1 ZINC000989805536 754479453 /nfs/dbraw/zinc/47/94/53/754479453.db2.gz QICJVHGGDKGMJR-UNEWFSDZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000983053372 754514363 /nfs/dbraw/zinc/51/43/63/754514363.db2.gz FHZAXSPIWXCPHT-GOEBONIOSA-N 1 1 340.427 0.593 20 30 ECEDMO C#CCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001009105697 754541381 /nfs/dbraw/zinc/54/13/81/754541381.db2.gz CMMCILCQJGYAKO-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001009105697 754541384 /nfs/dbraw/zinc/54/13/84/754541384.db2.gz CMMCILCQJGYAKO-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001009124890 754556316 /nfs/dbraw/zinc/55/63/16/754556316.db2.gz SSIOTGFMLGYHPZ-OAHLLOKOSA-N 1 1 347.463 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001009193031 754636877 /nfs/dbraw/zinc/63/68/77/754636877.db2.gz RYJSYMUHHYTVOH-MPTYRVRUSA-N 1 1 340.427 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001009193031 754636879 /nfs/dbraw/zinc/63/68/79/754636879.db2.gz RYJSYMUHHYTVOH-MPTYRVRUSA-N 1 1 340.427 0.547 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC001075947084 754712019 /nfs/dbraw/zinc/71/20/19/754712019.db2.gz KVYVWZRGTMTQMN-GOEBONIOSA-N 1 1 328.416 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001009272664 754729225 /nfs/dbraw/zinc/72/92/25/754729225.db2.gz YSVITRDDTJFASG-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001009272664 754729228 /nfs/dbraw/zinc/72/92/28/754729228.db2.gz YSVITRDDTJFASG-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001028711431 754792601 /nfs/dbraw/zinc/79/26/01/754792601.db2.gz ARHXHHDMQZFACT-ZIAGYGMSSA-N 1 1 331.407 0.967 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H]2CCNC2=O)CC3)c[nH]1 ZINC000990288324 754925637 /nfs/dbraw/zinc/92/56/37/754925637.db2.gz KWDKTIXRPXQPIA-KEYYUXOJSA-N 1 1 327.388 0.502 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H]2CCNC2=O)CC3)c[nH]1 ZINC000990288320 754925655 /nfs/dbraw/zinc/92/56/55/754925655.db2.gz KWDKTIXRPXQPIA-CPUCHLNUSA-N 1 1 327.388 0.502 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001028740190 754938625 /nfs/dbraw/zinc/93/86/25/754938625.db2.gz OPTLZXMWTQPMDZ-SJORKVTESA-N 1 1 340.427 0.500 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001028740865 754945555 /nfs/dbraw/zinc/94/55/55/754945555.db2.gz TWUWXJFOESAVHF-HOTGVXAUSA-N 1 1 341.415 0.520 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001028741606 754946623 /nfs/dbraw/zinc/94/66/23/754946623.db2.gz DOUOAEJPTUTFTD-VXGBXAGGSA-N 1 1 344.253 0.811 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001028741606 754946626 /nfs/dbraw/zinc/94/66/26/754946626.db2.gz DOUOAEJPTUTFTD-VXGBXAGGSA-N 1 1 344.253 0.811 20 30 ECEDMO CN1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1=O ZINC001028742679 754949840 /nfs/dbraw/zinc/94/98/40/754949840.db2.gz ZRTKCEGGTMQTJK-IAGOWNOFSA-N 1 1 340.427 0.975 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001028745147 754952864 /nfs/dbraw/zinc/95/28/64/754952864.db2.gz VYPCABZKOJVZMG-GFCCVEGCSA-N 1 1 325.376 0.334 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cnc(C)n3C)C2)C1=O ZINC001028762400 755015660 /nfs/dbraw/zinc/01/56/60/755015660.db2.gz LJNSYISDQFLXHK-CABCVRRESA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3ccc[nH]3)C2)C1=O ZINC001009600761 755044987 /nfs/dbraw/zinc/04/49/87/755044987.db2.gz JTZWBUUSBAZHSW-CVEARBPZSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ccc[nH]3)C2)C1=O ZINC001009600761 755044991 /nfs/dbraw/zinc/04/49/91/755044991.db2.gz JTZWBUUSBAZHSW-CVEARBPZSA-N 1 1 330.432 0.925 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)s1 ZINC001028773195 755064102 /nfs/dbraw/zinc/06/41/02/755064102.db2.gz JIRCSHAFIYREOD-MFKMUULPSA-N 1 1 333.417 0.239 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001028792743 755140467 /nfs/dbraw/zinc/14/04/67/755140467.db2.gz LVKCXQYZYYLQPS-AWEZNQCLSA-N 1 1 326.400 0.393 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001060034268 755155667 /nfs/dbraw/zinc/15/56/67/755155667.db2.gz DQSHQLVUVFDEHY-KGLIPLIRSA-N 1 1 328.420 0.950 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CNc3cncc(C#N)n3)C2)C1 ZINC001060034445 755160322 /nfs/dbraw/zinc/16/03/22/755160322.db2.gz IYGJZHUDAFRWGP-UONOGXRCSA-N 1 1 328.420 0.950 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](CCNC(=O)CSCC#N)C1 ZINC001060035216 755179440 /nfs/dbraw/zinc/17/94/40/755179440.db2.gz BAQGHOIZWISDQJ-CQSZACIVSA-N 1 1 340.493 0.940 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 ZINC001028805488 755183991 /nfs/dbraw/zinc/18/39/91/755183991.db2.gz ORJLDEFFPJRXGS-XHSDSOJGSA-N 1 1 326.400 0.618 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001028812492 755205555 /nfs/dbraw/zinc/20/55/55/755205555.db2.gz DFPNFPGJSFMFBQ-ZNMIVQPWSA-N 1 1 349.431 0.165 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001028853392 755313153 /nfs/dbraw/zinc/31/31/53/755313153.db2.gz TZTNPNFJHLGZNP-CQSZACIVSA-N 1 1 341.419 0.814 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]([C@@H](C)c3nnc(C)o3)C2)nn1 ZINC001028853530 755313633 /nfs/dbraw/zinc/31/36/33/755313633.db2.gz UYBJANSNQNINSX-WCQYABFASA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)c3nnc(C)o3)C2)nn1 ZINC001028853530 755313639 /nfs/dbraw/zinc/31/36/39/755313639.db2.gz UYBJANSNQNINSX-WCQYABFASA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001028853158 755315071 /nfs/dbraw/zinc/31/50/71/755315071.db2.gz QTGMROLFIWSCLE-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000990518715 755315165 /nfs/dbraw/zinc/31/51/65/755315165.db2.gz SBBWXAGHRKRRCM-CQSZACIVSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001028856599 755320760 /nfs/dbraw/zinc/32/07/60/755320760.db2.gz LDACHYPPCHEHMO-UONOGXRCSA-N 1 1 331.420 0.557 20 30 ECEDMO COCCN(CCNC(=O)Cn1c[nH+]cc1C)c1nccnc1C#N ZINC001126440641 755327339 /nfs/dbraw/zinc/32/73/39/755327339.db2.gz MLETUNPSLOLFOT-UHFFFAOYSA-N 1 1 343.391 0.122 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000990525036 755330465 /nfs/dbraw/zinc/33/04/65/755330465.db2.gz NKVCWDPBEPDKTQ-OAHLLOKOSA-N 1 1 331.420 0.320 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001028869586 755349197 /nfs/dbraw/zinc/34/91/97/755349197.db2.gz XXTHCHRPDFRIAC-CYBMUJFWSA-N 1 1 327.388 0.406 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001028918607 755477377 /nfs/dbraw/zinc/47/73/77/755477377.db2.gz JPVZNSOLDOHIGT-UONOGXRCSA-N 1 1 346.431 0.962 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)C1 ZINC001040263380 755489182 /nfs/dbraw/zinc/48/91/82/755489182.db2.gz DMWXITLZSFBBQH-GOEBONIOSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001040270107 755536599 /nfs/dbraw/zinc/53/65/99/755536599.db2.gz BCJUOJJVSGSAFI-LJQANCHMSA-N 1 1 346.475 0.098 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3[nH]nnc3C)[C@H]2C)C1=O ZINC001088788520 755675675 /nfs/dbraw/zinc/67/56/75/755675675.db2.gz OXYDRUSAEXQDGC-AGIUHOORSA-N 1 1 332.408 0.093 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]nnc3C)[C@H]2C)C1=O ZINC001088788520 755675676 /nfs/dbraw/zinc/67/56/76/755675676.db2.gz OXYDRUSAEXQDGC-AGIUHOORSA-N 1 1 332.408 0.093 20 30 ECEDMO COc1cc(C[NH2+]CCC#N)ccc1OCC(=O)N1CCOCC1 ZINC000345309137 755678403 /nfs/dbraw/zinc/67/84/03/755678403.db2.gz WEOWSGUSVCAANB-UHFFFAOYSA-N 1 1 333.388 0.936 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(C#N)n1 ZINC001105670947 755728554 /nfs/dbraw/zinc/72/85/54/755728554.db2.gz WSFULDNJKVPCDP-KGLIPLIRSA-N 1 1 330.436 0.809 20 30 ECEDMO Cc1cccc(C)c1-n1nnnc1C[NH2+]CCNC(=O)C#CC1CC1 ZINC001126885528 755797402 /nfs/dbraw/zinc/79/74/02/755797402.db2.gz IHRFVRXRQHYSFD-UHFFFAOYSA-N 1 1 338.415 0.898 20 30 ECEDMO C#CCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CC)CC1 ZINC001105675172 755826190 /nfs/dbraw/zinc/82/61/90/755826190.db2.gz MJKDWWHWUFWYBH-CALCHBBNSA-N 1 1 346.475 0.285 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088828691 755960480 /nfs/dbraw/zinc/96/04/80/755960480.db2.gz RAAUIGPRDUILET-ICCXJUOJSA-N 1 1 333.417 0.380 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088828691 755960482 /nfs/dbraw/zinc/96/04/82/755960482.db2.gz RAAUIGPRDUILET-ICCXJUOJSA-N 1 1 333.417 0.380 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088828608 755961290 /nfs/dbraw/zinc/96/12/90/755961290.db2.gz OOHSCBWZABQYLH-UGFHNGPFSA-N 1 1 327.388 0.319 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088828607 755961343 /nfs/dbraw/zinc/96/13/43/755961343.db2.gz OOHSCBWZABQYLH-BYCMXARLSA-N 1 1 327.388 0.319 20 30 ECEDMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083536688 755981048 /nfs/dbraw/zinc/98/10/48/755981048.db2.gz FEYVVZKXYPHWMH-IEAZIUSSSA-N 1 1 345.399 0.023 20 30 ECEDMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083536688 755981052 /nfs/dbraw/zinc/98/10/52/755981052.db2.gz FEYVVZKXYPHWMH-IEAZIUSSSA-N 1 1 345.399 0.023 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCCS3(=O)=O)[C@@H]2C1 ZINC001076049759 756032604 /nfs/dbraw/zinc/03/26/04/756032604.db2.gz PYAMXCBTYBWDKL-UONOGXRCSA-N 1 1 327.450 0.131 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nc(C)nn4C3)[C@@H]2C1 ZINC001076079213 756070009 /nfs/dbraw/zinc/07/00/09/756070009.db2.gz JYZFYTHHHJWZKO-HRCADAONSA-N 1 1 327.432 0.705 20 30 ECEDMO O=C([C@H]1CCNC1=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076126254 756115599 /nfs/dbraw/zinc/11/55/99/756115599.db2.gz QYSQJTUDDMLFME-OKZBNKHCSA-N 1 1 337.423 0.707 20 30 ECEDMO O=C([C@H]1CCNC1=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076126254 756115601 /nfs/dbraw/zinc/11/56/01/756115601.db2.gz QYSQJTUDDMLFME-OKZBNKHCSA-N 1 1 337.423 0.707 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1=O ZINC001010457077 756151136 /nfs/dbraw/zinc/15/11/36/756151136.db2.gz JIANLPWBYJUCKO-AWEZNQCLSA-N 1 1 325.372 0.589 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCC(=O)NC)C2)nn1 ZINC001098662128 756154846 /nfs/dbraw/zinc/15/48/46/756154846.db2.gz XTULBKZOJAVMDE-HNNXBMFYSA-N 1 1 348.451 0.634 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001076263691 756300837 /nfs/dbraw/zinc/30/08/37/756300837.db2.gz OVZGUJWMIFCQSR-HZMVEIRTSA-N 1 1 347.459 0.733 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)cc1 ZINC001010672103 756379138 /nfs/dbraw/zinc/37/91/38/756379138.db2.gz UZILIFSBAWCZHH-QGZVFWFLSA-N 1 1 328.416 0.581 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)c[nH]1 ZINC001010689777 756401611 /nfs/dbraw/zinc/40/16/11/756401611.db2.gz LUXQHOPWLPXNBF-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)c[nH]1 ZINC001010689777 756401615 /nfs/dbraw/zinc/40/16/15/756401615.db2.gz LUXQHOPWLPXNBF-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO Cn1c(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)nnc1C1CC1 ZINC001051611602 762465516 /nfs/dbraw/zinc/46/55/16/762465516.db2.gz MFTQKBYMNJMHTB-OAHLLOKOSA-N 1 1 343.431 0.423 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1 ZINC001076360723 756413836 /nfs/dbraw/zinc/41/38/36/756413836.db2.gz MGPCVPDGHNSPDG-GXTWGEPZSA-N 1 1 325.372 0.111 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cc3nnn(C(C)(C)C)n3)CCC[C@@H]12 ZINC000990869049 756433589 /nfs/dbraw/zinc/43/35/89/756433589.db2.gz GRYCSCYTYAFCJE-CXAGYDPISA-N 1 1 330.436 0.717 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cn[nH]c(=O)c3)[C@@H](O)C2)cc1 ZINC001083546880 756446406 /nfs/dbraw/zinc/44/64/06/756446406.db2.gz JWYZZCRYWHOFOI-CABCVRRESA-N 1 1 339.355 0.029 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cn[nH]c(=O)c3)[C@@H](O)C2)cc1 ZINC001083546880 756446408 /nfs/dbraw/zinc/44/64/08/756446408.db2.gz JWYZZCRYWHOFOI-CABCVRRESA-N 1 1 339.355 0.029 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001010743933 756471824 /nfs/dbraw/zinc/47/18/24/756471824.db2.gz XHANAFAMATXMTE-DZGCQCFKSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001010743933 756471826 /nfs/dbraw/zinc/47/18/26/756471826.db2.gz XHANAFAMATXMTE-DZGCQCFKSA-N 1 1 331.420 0.494 20 30 ECEDMO Cn1oc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)cc1=O ZINC001010781156 756512767 /nfs/dbraw/zinc/51/27/67/756512767.db2.gz PNPZHGLKXJKNOB-CQSZACIVSA-N 1 1 326.356 0.854 20 30 ECEDMO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)cc1=O ZINC001010781156 756512770 /nfs/dbraw/zinc/51/27/70/756512770.db2.gz PNPZHGLKXJKNOB-CQSZACIVSA-N 1 1 326.356 0.854 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)nc1 ZINC001076476035 756562381 /nfs/dbraw/zinc/56/23/81/756562381.db2.gz ROVAKYJJWWAHRH-DOTOQJQBSA-N 1 1 336.399 0.501 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001076504929 756588242 /nfs/dbraw/zinc/58/82/42/756588242.db2.gz YWXGWLGDYQGGGQ-ZWKOTPCHSA-N 1 1 339.439 0.831 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001076504929 756588245 /nfs/dbraw/zinc/58/82/45/756588245.db2.gz YWXGWLGDYQGGGQ-ZWKOTPCHSA-N 1 1 339.439 0.831 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ncn(C)n3)C2)cc1C#N ZINC001010868434 756617171 /nfs/dbraw/zinc/61/71/71/756617171.db2.gz GQNDBJVEKDKMQO-CQSZACIVSA-N 1 1 340.387 0.700 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ncn(C)n3)C2)cc1C#N ZINC001010868434 756617174 /nfs/dbraw/zinc/61/71/74/756617174.db2.gz GQNDBJVEKDKMQO-CQSZACIVSA-N 1 1 340.387 0.700 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1c1ccnc(C#N)n1 ZINC001060124276 756622722 /nfs/dbraw/zinc/62/27/22/756622722.db2.gz XIYRBTBFRFVSJK-KGLIPLIRSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001076574108 756662572 /nfs/dbraw/zinc/66/25/72/756662572.db2.gz JOJXEWQZSQNTQL-GXTWGEPZSA-N 1 1 334.424 0.183 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001010961230 756706178 /nfs/dbraw/zinc/70/61/78/756706178.db2.gz GBWWYEDULUFODQ-DFEHZGFQSA-N 1 1 348.447 0.174 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001010961230 756706183 /nfs/dbraw/zinc/70/61/83/756706183.db2.gz GBWWYEDULUFODQ-DFEHZGFQSA-N 1 1 348.447 0.174 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)[C@@H]2C1 ZINC001076607525 756726410 /nfs/dbraw/zinc/72/64/10/756726410.db2.gz LDHVBKUPHHHAIR-DZGCQCFKSA-N 1 1 346.435 0.089 20 30 ECEDMO N#Cc1cc(C(=O)N2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)c[nH]1 ZINC001011028142 756790192 /nfs/dbraw/zinc/79/01/92/756790192.db2.gz QGWNFWQMYTZKTF-SFHVURJKSA-N 1 1 341.415 0.657 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)nc2)C1 ZINC001060130095 756815589 /nfs/dbraw/zinc/81/55/89/756815589.db2.gz ZZCRUAUEAHKGLG-RDJZCZTQSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)nc2)C1 ZINC001060130095 756815594 /nfs/dbraw/zinc/81/55/94/756815594.db2.gz ZZCRUAUEAHKGLG-RDJZCZTQSA-N 1 1 343.431 0.759 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000990927272 756883474 /nfs/dbraw/zinc/88/34/74/756883474.db2.gz FOFUFPVIJPKZIM-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000990927271 756883489 /nfs/dbraw/zinc/88/34/89/756883489.db2.gz FODFYXPLEPIZPJ-RYUDHWBXSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771996 756945999 /nfs/dbraw/zinc/94/59/99/756945999.db2.gz SCRHEHVVIZDFMK-SDDRHHMPSA-N 1 1 340.391 0.175 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771996 756946004 /nfs/dbraw/zinc/94/60/04/756946004.db2.gz SCRHEHVVIZDFMK-SDDRHHMPSA-N 1 1 340.391 0.175 20 30 ECEDMO C=CCCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107140739 756962758 /nfs/dbraw/zinc/96/27/58/756962758.db2.gz SMXMOQOUJDLKDR-CYBMUJFWSA-N 1 1 337.424 0.115 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)c1 ZINC001076757653 756976858 /nfs/dbraw/zinc/97/68/58/756976858.db2.gz CHZQHLZHOMEIDN-BRWVUGGUSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)c1 ZINC001076757653 756976866 /nfs/dbraw/zinc/97/68/66/756976866.db2.gz CHZQHLZHOMEIDN-BRWVUGGUSA-N 1 1 329.400 0.789 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001076751202 756986441 /nfs/dbraw/zinc/98/64/41/756986441.db2.gz BYNWMBOCVCIBOG-SOUVJXGZSA-N 1 1 325.453 0.930 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076768616 757058797 /nfs/dbraw/zinc/05/87/97/757058797.db2.gz GZNDPPSIXXICOQ-WFASDCNBSA-N 1 1 347.419 0.232 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076768616 757058802 /nfs/dbraw/zinc/05/88/02/757058802.db2.gz GZNDPPSIXXICOQ-WFASDCNBSA-N 1 1 347.419 0.232 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2C1 ZINC001048812448 757072862 /nfs/dbraw/zinc/07/28/62/757072862.db2.gz JULBKDUZTXPGOT-CALCHBBNSA-N 1 1 329.444 0.803 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001048832442 757136029 /nfs/dbraw/zinc/13/60/29/757136029.db2.gz LBBKGTFHCYCNTR-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@H]2C1 ZINC001048839262 757146596 /nfs/dbraw/zinc/14/65/96/757146596.db2.gz MIKWYAOLOMFOEP-OKILXGFUSA-N 1 1 332.452 0.937 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC001048869662 757237082 /nfs/dbraw/zinc/23/70/82/757237082.db2.gz COIDWHBLFQWMEO-YRXWBPOGSA-N 1 1 345.487 0.901 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001011239862 757269839 /nfs/dbraw/zinc/26/98/39/757269839.db2.gz HNNGLEAKZJGGIM-SWLSCSKDSA-N 1 1 344.419 0.620 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001011239862 757269845 /nfs/dbraw/zinc/26/98/45/757269845.db2.gz HNNGLEAKZJGGIM-SWLSCSKDSA-N 1 1 344.419 0.620 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)cc1 ZINC001076828525 757289798 /nfs/dbraw/zinc/28/97/98/757289798.db2.gz HGXZMNZFQKUZRV-HZPDHXFCSA-N 1 1 325.372 0.185 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)cc1 ZINC001076828525 757289809 /nfs/dbraw/zinc/28/98/09/757289809.db2.gz HGXZMNZFQKUZRV-HZPDHXFCSA-N 1 1 325.372 0.185 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3cnc(C)o3)nn2)C1 ZINC001107179721 757297342 /nfs/dbraw/zinc/29/73/42/757297342.db2.gz RRUISRMSCHDHBL-UHFFFAOYSA-N 1 1 330.392 0.866 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)COc3cc(C)on3)nn2)C1 ZINC001107180540 757301337 /nfs/dbraw/zinc/30/13/37/757301337.db2.gz XWZIHNVATWAXID-UHFFFAOYSA-N 1 1 346.391 0.703 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)CC[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107180547 757302135 /nfs/dbraw/zinc/30/21/35/757302135.db2.gz YOJYMCBWIZNJAN-MRXNPFEDSA-N 1 1 344.463 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@H]12 ZINC000990994878 757304614 /nfs/dbraw/zinc/30/46/14/757304614.db2.gz GBJWXRLCFHJHQP-GOEBONIOSA-N 1 1 339.461 0.158 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3sccc3-n3cnnn3)C[C@H]2C1 ZINC001048918065 757409562 /nfs/dbraw/zinc/40/95/62/757409562.db2.gz YYMRGZXXOBRPMZ-BETUJISGSA-N 1 1 342.428 0.751 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2O)CC[N@H+]1C ZINC001048923234 757423621 /nfs/dbraw/zinc/42/36/21/757423621.db2.gz LFICYEVIDIAPOR-WCVJEAGWSA-N 1 1 349.475 0.406 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@H]2C1 ZINC001048926685 757431892 /nfs/dbraw/zinc/43/18/92/757431892.db2.gz LFGDCSJQQQHROC-GASCZTMLSA-N 1 1 327.384 0.188 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccsn2)CC1 ZINC001011297500 757444660 /nfs/dbraw/zinc/44/46/60/757444660.db2.gz PLQQWINLZBRXEQ-AWEZNQCLSA-N 1 1 332.429 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccsn2)CC1 ZINC001011297500 757444664 /nfs/dbraw/zinc/44/46/64/757444664.db2.gz PLQQWINLZBRXEQ-AWEZNQCLSA-N 1 1 332.429 0.525 20 30 ECEDMO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC001048937850 757464966 /nfs/dbraw/zinc/46/49/66/757464966.db2.gz VUHGYVVGJQXKFM-HOTGVXAUSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(F)c[nH]4)C[C@H]3C2)C1=O ZINC001048942151 757476823 /nfs/dbraw/zinc/47/68/23/757476823.db2.gz QOZFKLUVNWYGEH-DVOMOZLQSA-N 1 1 346.406 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC2=CCOCC2)CC1 ZINC001011314807 757489767 /nfs/dbraw/zinc/48/97/67/757489767.db2.gz MALSEWRYCGDODD-KRWDZBQOSA-N 1 1 345.443 0.492 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC2=CCOCC2)CC1 ZINC001011314807 757489764 /nfs/dbraw/zinc/48/97/64/757489764.db2.gz MALSEWRYCGDODD-KRWDZBQOSA-N 1 1 345.443 0.492 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2csc(C)n2)CC1 ZINC001011315062 757491423 /nfs/dbraw/zinc/49/14/23/757491423.db2.gz XELYYGWMBWVICO-HNNXBMFYSA-N 1 1 346.456 0.834 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2csc(C)n2)CC1 ZINC001011315062 757491428 /nfs/dbraw/zinc/49/14/28/757491428.db2.gz XELYYGWMBWVICO-HNNXBMFYSA-N 1 1 346.456 0.834 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3CCCC)C[C@H]2C1 ZINC001048960650 757522650 /nfs/dbraw/zinc/52/26/50/757522650.db2.gz HSHQDMBACQGICR-FGTMMUONSA-N 1 1 333.476 0.901 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3ccn4nnnc4c3)C[C@H]2C1 ZINC001048973918 757565109 /nfs/dbraw/zinc/56/51/09/757565109.db2.gz FPHPQTWNDNVGQF-BETUJISGSA-N 1 1 332.795 0.881 20 30 ECEDMO CCc1nc(C#N)cc(NC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001107199452 757586580 /nfs/dbraw/zinc/58/65/80/757586580.db2.gz CYIZEZJIAIIRGI-MUBLQREKSA-N 1 1 328.420 0.947 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC/C=C/CNc1nc(C)cc(C#N)n1 ZINC001107200563 757591876 /nfs/dbraw/zinc/59/18/76/757591876.db2.gz OWOKRSZJMPLAMZ-ONEGZZNKSA-N 1 1 325.376 0.946 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC001021564862 757604174 /nfs/dbraw/zinc/60/41/74/757604174.db2.gz BLSQPOPZYIRAKT-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(=O)n(C)cn2)C1 ZINC001021608472 757680124 /nfs/dbraw/zinc/68/01/24/757680124.db2.gz QIBQCEJAPDZOOD-GOEBONIOSA-N 1 1 328.416 0.730 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4conc4C)C[C@H]3C2)C1=O ZINC001049024352 757726443 /nfs/dbraw/zinc/72/64/43/757726443.db2.gz MCAUXOOODJFYOL-LZWOXQAQSA-N 1 1 344.415 0.774 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001049034188 757748764 /nfs/dbraw/zinc/74/87/64/757748764.db2.gz CUZLPCVAOHWUPP-FCEWJHQRSA-N 1 1 349.475 0.838 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)c1 ZINC001049047490 757774498 /nfs/dbraw/zinc/77/44/98/757774498.db2.gz JDCWUEXODKTQTG-IXDOHACOSA-N 1 1 338.411 0.297 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 ZINC001107218939 757833659 /nfs/dbraw/zinc/83/36/59/757833659.db2.gz JGOWPHZJVMXMIF-UHFFFAOYSA-N 1 1 342.407 0.260 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nonc3C)C[C@@H]2C1 ZINC001049069947 757875469 /nfs/dbraw/zinc/87/54/69/757875469.db2.gz XQVCUPDGIKSEOB-CTASWTNQSA-N 1 1 332.404 0.859 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nonc3C)C[C@@H]2C1 ZINC001049069947 757875472 /nfs/dbraw/zinc/87/54/72/757875472.db2.gz XQVCUPDGIKSEOB-CTASWTNQSA-N 1 1 332.404 0.859 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021732698 757877135 /nfs/dbraw/zinc/87/71/35/757877135.db2.gz GVJZZIDHLXTMBF-JSGCOSHPSA-N 1 1 330.388 0.046 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021741802 757891278 /nfs/dbraw/zinc/89/12/78/757891278.db2.gz HSCKISXLOBXZDB-HIFRSBDPSA-N 1 1 346.435 0.266 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3cn(C)nn3)C(C)(C)C2)nc1 ZINC000996528198 757896834 /nfs/dbraw/zinc/89/68/34/757896834.db2.gz MPAHBIXVRPOHLR-MRXNPFEDSA-N 1 1 338.415 0.832 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccnnc4)C[C@H]3C2)C1=O ZINC001049079276 757904989 /nfs/dbraw/zinc/90/49/89/757904989.db2.gz WCFLGCYQPFVCAJ-OWCLPIDISA-N 1 1 341.415 0.267 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O ZINC001049081465 757909294 /nfs/dbraw/zinc/90/92/94/757909294.db2.gz FYFOWZSZXBRAQP-SNPRPXQTSA-N 1 1 347.419 0.162 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3c(F)cccc3NC(N)=O)C[C@H]2C1 ZINC001049086961 757921864 /nfs/dbraw/zinc/92/18/64/757921864.db2.gz KCVAZOKSINHROL-TXEJJXNPSA-N 1 1 330.363 0.953 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)n(C)c3=O)C[C@H]2C1 ZINC001049099840 757955541 /nfs/dbraw/zinc/95/55/41/757955541.db2.gz SLRAEDQXAADHAQ-OKILXGFUSA-N 1 1 346.431 0.054 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2C1 ZINC001049114062 757998969 /nfs/dbraw/zinc/99/89/69/757998969.db2.gz KIMQBRNBOFMSBN-PHIMTYICSA-N 1 1 340.225 0.728 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2C1 ZINC001049114062 757998975 /nfs/dbraw/zinc/99/89/75/757998975.db2.gz KIMQBRNBOFMSBN-PHIMTYICSA-N 1 1 340.225 0.728 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)N3CCOCC3)nn2)C1 ZINC001107242146 758000055 /nfs/dbraw/zinc/00/00/55/758000055.db2.gz OFKYJULCBSZKQJ-AWEZNQCLSA-N 1 1 348.451 0.048 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@H]2C1 ZINC001049114802 758001234 /nfs/dbraw/zinc/00/12/34/758001234.db2.gz QULMKZWGXDZXHT-OKILXGFUSA-N 1 1 339.399 0.358 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 ZINC001107238237 758029911 /nfs/dbraw/zinc/02/99/11/758029911.db2.gz NMLZTGPTFJWYGW-BETUJISGSA-N 1 1 331.424 0.147 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(NC(C)=O)c2)C1 ZINC001077045081 758046771 /nfs/dbraw/zinc/04/67/71/758046771.db2.gz VSMQWAJDYXMUHK-IAGOWNOFSA-N 1 1 329.400 0.752 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049149571 758130645 /nfs/dbraw/zinc/13/06/45/758130645.db2.gz IAIQAONFGKSMKW-PMPSAXMXSA-N 1 1 339.480 0.961 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12 ZINC001107289490 758177726 /nfs/dbraw/zinc/17/77/26/758177726.db2.gz AJHZHTCCULDUDE-CZUORRHYSA-N 1 1 349.460 0.244 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12 ZINC001107289559 758178099 /nfs/dbraw/zinc/17/80/99/758178099.db2.gz DYPPRSWEPNVCGB-RHSMWYFYSA-N 1 1 348.472 0.353 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049163168 758184965 /nfs/dbraw/zinc/18/49/65/758184965.db2.gz FKTSUFOSMSXLEN-ILXRZTDVSA-N 1 1 337.464 0.571 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCO3)CCC[C@@H]12 ZINC001107283477 758188631 /nfs/dbraw/zinc/18/86/31/758188631.db2.gz DTBIUVJCZDGQBZ-JFIYKMOQSA-N 1 1 336.432 0.412 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCn4cccn4)C[C@@H]3C2)nc1 ZINC001049177859 758234530 /nfs/dbraw/zinc/23/45/30/758234530.db2.gz RPFNEQQMOLVACD-CALCHBBNSA-N 1 1 335.411 0.963 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnnn1C)CC2 ZINC001107330737 758270892 /nfs/dbraw/zinc/27/08/92/758270892.db2.gz LKLHUGZLKOYURM-NVXWUHKLSA-N 1 1 333.436 0.879 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099563838 758275501 /nfs/dbraw/zinc/27/55/01/758275501.db2.gz NQGJQTMVYJEGEA-OAHLLOKOSA-N 1 1 335.448 0.379 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099563838 758275510 /nfs/dbraw/zinc/27/55/10/758275510.db2.gz NQGJQTMVYJEGEA-OAHLLOKOSA-N 1 1 335.448 0.379 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nccn1CC ZINC001077124296 758282710 /nfs/dbraw/zinc/28/27/10/758282710.db2.gz RBIYOKNGBLGRJS-GJZGRUSLSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nccn1CC ZINC001077124296 758282722 /nfs/dbraw/zinc/28/27/22/758282722.db2.gz RBIYOKNGBLGRJS-GJZGRUSLSA-N 1 1 345.447 0.625 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]2C1 ZINC001049200134 758284546 /nfs/dbraw/zinc/28/45/46/758284546.db2.gz KNQZVGFQVNZAJD-OKILXGFUSA-N 1 1 348.447 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc[n+]([O-])cc1 ZINC001077124393 758285071 /nfs/dbraw/zinc/28/50/71/758285071.db2.gz VBAKGEMBKDTXKW-HOCLYGCPSA-N 1 1 344.415 0.042 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc[n+]([O-])cc1 ZINC001077124393 758285082 /nfs/dbraw/zinc/28/50/82/758285082.db2.gz VBAKGEMBKDTXKW-HOCLYGCPSA-N 1 1 344.415 0.042 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C)OCC=C ZINC001077125314 758290766 /nfs/dbraw/zinc/29/07/66/758290766.db2.gz RNNOTXULOPARJS-JYJNAYRXSA-N 1 1 335.448 0.686 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C)OCC=C ZINC001077125314 758290776 /nfs/dbraw/zinc/29/07/76/758290776.db2.gz RNNOTXULOPARJS-JYJNAYRXSA-N 1 1 335.448 0.686 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC001049207141 758306736 /nfs/dbraw/zinc/30/67/36/758306736.db2.gz UUAQOXSDNGGUPL-PHIMTYICSA-N 1 1 335.795 0.332 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC001049207141 758306746 /nfs/dbraw/zinc/30/67/46/758306746.db2.gz UUAQOXSDNGGUPL-PHIMTYICSA-N 1 1 335.795 0.332 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccnc(F)c2)C1=O ZINC001032310103 758340585 /nfs/dbraw/zinc/34/05/85/758340585.db2.gz LHYJYTSCMXWGSD-KKUMJFAQSA-N 1 1 344.390 0.906 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccnc(F)c2)C1=O ZINC001032310103 758340598 /nfs/dbraw/zinc/34/05/98/758340598.db2.gz LHYJYTSCMXWGSD-KKUMJFAQSA-N 1 1 344.390 0.906 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NCC2=CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001127757388 758341683 /nfs/dbraw/zinc/34/16/83/758341683.db2.gz QPJZURPLMUFLQN-CQSZACIVSA-N 1 1 340.431 0.943 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NCC2=CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001127758311 758353948 /nfs/dbraw/zinc/35/39/48/758353948.db2.gz WFXXNGTXTXSFGB-AWEZNQCLSA-N 1 1 340.431 0.943 20 30 ECEDMO CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC001107349636 758365142 /nfs/dbraw/zinc/36/51/42/758365142.db2.gz KEOFUVHWHJPLDZ-CRAIPNDOSA-N 1 1 343.431 0.997 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@H]2C1 ZINC001049223186 758372291 /nfs/dbraw/zinc/37/22/91/758372291.db2.gz JPQJLKGGLWNDJS-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO C=CCCC(=O)N1C[C@@H](C)OC2(CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001111538940 758374248 /nfs/dbraw/zinc/37/42/48/758374248.db2.gz UIBPEPWHFRHCNX-OAHLLOKOSA-N 1 1 348.447 0.674 20 30 ECEDMO CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)C#N)C[C@@H](C)O2 ZINC001111539149 758390571 /nfs/dbraw/zinc/39/05/71/758390571.db2.gz WZBOXQDPNSNUAI-ZIAGYGMSSA-N 1 1 336.436 0.364 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001077166929 758399508 /nfs/dbraw/zinc/39/95/08/758399508.db2.gz PXIDPTOKXRWKDV-MUIFIZLQSA-N 1 1 346.431 0.165 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001077166929 758399512 /nfs/dbraw/zinc/39/95/12/758399512.db2.gz PXIDPTOKXRWKDV-MUIFIZLQSA-N 1 1 346.431 0.165 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N(C)C3)C[C@H]2C1 ZINC001049235139 758404315 /nfs/dbraw/zinc/40/43/15/758404315.db2.gz UBYADXNOROTPBD-MELADBBJSA-N 1 1 325.840 0.998 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)n3cncn3)CCC[C@@H]12 ZINC001107368375 758409876 /nfs/dbraw/zinc/40/98/76/758409876.db2.gz VPPYPWFEOIQCDC-LZLYRXPVSA-N 1 1 345.447 0.850 20 30 ECEDMO O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107397896 758462798 /nfs/dbraw/zinc/46/27/98/758462798.db2.gz AQZWHJGMKGSMDP-VQIMIIECSA-N 1 1 329.444 0.993 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001049275243 758465655 /nfs/dbraw/zinc/46/56/55/758465655.db2.gz ILZGFQWNXRQDCN-FZKCQIBNSA-N 1 1 337.464 0.713 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3ccn(C)n3)CCC[C@@H]12 ZINC001107401299 758498383 /nfs/dbraw/zinc/49/83/83/758498383.db2.gz GSSOGIJBHYUCKX-IEBWSBKVSA-N 1 1 344.459 0.973 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)S(C)(=O)=O)CCC[C@@H]12 ZINC001107426062 758535468 /nfs/dbraw/zinc/53/54/68/758535468.db2.gz CNUIOZWFBVYMPN-GDBMZVCRSA-N 1 1 341.477 0.262 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001077229377 758568769 /nfs/dbraw/zinc/56/87/69/758568769.db2.gz ZUBVHDMPAOJHIE-ARFHVFGLSA-N 1 1 332.448 0.881 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O ZINC001077237420 758570698 /nfs/dbraw/zinc/57/06/98/758570698.db2.gz JHDKHGLGAYUFAN-KZNAEPCWSA-N 1 1 342.443 0.704 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O ZINC001077237601 758572037 /nfs/dbraw/zinc/57/20/37/758572037.db2.gz MFOMXSJEPUZDSG-BZUAXINKSA-N 1 1 348.472 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)CC)C1 ZINC001049370034 758580250 /nfs/dbraw/zinc/58/02/50/758580250.db2.gz OJBBXQNHOQVFOJ-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)CC)C1 ZINC001049370034 758580255 /nfs/dbraw/zinc/58/02/55/758580255.db2.gz OJBBXQNHOQVFOJ-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccn3c2=O)C1 ZINC001077242288 758590121 /nfs/dbraw/zinc/59/01/21/758590121.db2.gz LOHJYCWYIITHAL-HUUCEWRRSA-N 1 1 342.399 0.436 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)NC1CCOCC1 ZINC001049383721 758605906 /nfs/dbraw/zinc/60/59/06/758605906.db2.gz SWJTUAQSJQEPEL-VNQPRFMTSA-N 1 1 348.447 0.507 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)NC1CCOCC1 ZINC001049383721 758605911 /nfs/dbraw/zinc/60/59/11/758605911.db2.gz SWJTUAQSJQEPEL-VNQPRFMTSA-N 1 1 348.447 0.507 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001049395399 758625558 /nfs/dbraw/zinc/62/55/58/758625558.db2.gz VCAMCPTZYXUJCP-SNPRPXQTSA-N 1 1 347.419 0.162 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001011805769 758629465 /nfs/dbraw/zinc/62/94/65/758629465.db2.gz QCPORGRWDCWGLK-WMLDXEAASA-N 1 1 340.427 0.545 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C#N)c[nH]1 ZINC001049400579 758632884 /nfs/dbraw/zinc/63/28/84/758632884.db2.gz HTAVADDDKHRFBO-CABCVRRESA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001077265708 758642081 /nfs/dbraw/zinc/64/20/81/758642081.db2.gz BQLAALGBHYHFRA-ZIAGYGMSSA-N 1 1 329.404 0.697 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H](O)CNc2nc(C)[nH+]c(C)c2C)nc1 ZINC001105908680 762654901 /nfs/dbraw/zinc/65/49/01/762654901.db2.gz WVBUIWUTRUQZPN-OAHLLOKOSA-N 1 1 339.399 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2ncc[nH]2)C1=O ZINC001049459778 758746028 /nfs/dbraw/zinc/74/60/28/758746028.db2.gz KVOYMPRJRNITPW-KKUMJFAQSA-N 1 1 343.431 0.876 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(CCOC)nn1 ZINC001049463570 758755171 /nfs/dbraw/zinc/75/51/71/758755171.db2.gz HPJOOSOIJVDUMZ-HZPDHXFCSA-N 1 1 331.420 0.627 20 30 ECEDMO C=CCC[NH+]1CCN(C2CCC(NC(=O)Cn3cnnn3)CC2)CC1 ZINC000996764088 758762818 /nfs/dbraw/zinc/76/28/18/758762818.db2.gz TUFLIGMEFHTHRC-UHFFFAOYSA-N 1 1 347.467 0.294 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC001107499812 758768261 /nfs/dbraw/zinc/76/82/61/758768261.db2.gz PTUZVVVALDAEPV-CRAIPNDOSA-N 1 1 334.464 0.355 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001077310179 758769114 /nfs/dbraw/zinc/76/91/14/758769114.db2.gz ZVMAYRGBSINOLA-CHWSQXEVSA-N 1 1 326.828 0.662 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001049474766 758778844 /nfs/dbraw/zinc/77/88/44/758778844.db2.gz RIRPCSWJJKQWHQ-KBPBESRZSA-N 1 1 331.416 0.470 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049506944 758822583 /nfs/dbraw/zinc/82/25/83/758822583.db2.gz CMAYIMYZKYHSSE-KGLIPLIRSA-N 1 1 327.450 0.273 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083573538 758837811 /nfs/dbraw/zinc/83/78/11/758837811.db2.gz MFOMXSJEPUZDSG-PMPSAXMXSA-N 1 1 348.472 0.765 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049523534 758856354 /nfs/dbraw/zinc/85/63/54/758856354.db2.gz ZFYXNRWVJUHSEJ-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049551106 758912380 /nfs/dbraw/zinc/91/23/80/758912380.db2.gz DVTBNYXRIUDJIG-IRXDYDNUSA-N 1 1 340.427 0.812 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001030340001 762671272 /nfs/dbraw/zinc/67/12/72/762671272.db2.gz KHUMIYHZXLZSKO-XHSDSOJGSA-N 1 1 334.464 0.304 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O ZINC001077394934 758985267 /nfs/dbraw/zinc/98/52/67/758985267.db2.gz LANJNXHCTFNRLS-QZTJIDSGSA-N 1 1 338.411 0.405 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049608850 758987919 /nfs/dbraw/zinc/98/79/19/758987919.db2.gz SMVDVGYPDBMONZ-RRFJBIMHSA-N 1 1 329.404 0.617 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001077395922 758989129 /nfs/dbraw/zinc/98/91/29/758989129.db2.gz ZSWBVZGMUVIQFY-AWEZNQCLSA-N 1 1 325.453 0.932 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3n2)C1 ZINC001077397190 758992586 /nfs/dbraw/zinc/99/25/86/758992586.db2.gz PDLJEBRCZRBOBW-HUUCEWRRSA-N 1 1 327.388 0.766 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049613557 758993913 /nfs/dbraw/zinc/99/39/13/758993913.db2.gz SALRUABINWRLHP-GJZGRUSLSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049614972 758996544 /nfs/dbraw/zinc/99/65/44/758996544.db2.gz GZBMXHKVIOGNHH-YLFCFFPRSA-N 1 1 335.448 0.874 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001049615139 758997870 /nfs/dbraw/zinc/99/78/70/758997870.db2.gz IBFPJNJZOQKBKR-HZPDHXFCSA-N 1 1 339.403 0.922 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)Cn2c[nH+]cc2C)nc1 ZINC001077422422 759032830 /nfs/dbraw/zinc/03/28/30/759032830.db2.gz XRJVPSXXTOOPOI-ZDUSSCGKSA-N 1 1 339.399 0.893 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049637587 759036812 /nfs/dbraw/zinc/03/68/12/759036812.db2.gz HRMHBVHROGXWGX-KBPBESRZSA-N 1 1 340.855 0.236 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049637587 759036819 /nfs/dbraw/zinc/03/68/19/759036819.db2.gz HRMHBVHROGXWGX-KBPBESRZSA-N 1 1 340.855 0.236 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC001049642938 759042605 /nfs/dbraw/zinc/04/26/05/759042605.db2.gz BQEYRIXSWLFDLV-KGLIPLIRSA-N 1 1 348.447 0.816 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3nnc(C)o3)C2)nn1 ZINC001022824423 759145795 /nfs/dbraw/zinc/14/57/95/759145795.db2.gz AZQROMFTTKGXPU-JLLWLGSASA-N 1 1 331.380 0.767 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)[C@@H](O)C1 ZINC001083591156 759147471 /nfs/dbraw/zinc/14/74/71/759147471.db2.gz OEMBXYKZPPSGPH-XKQJLSEDSA-N 1 1 330.432 0.961 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049778557 759193574 /nfs/dbraw/zinc/19/35/74/759193574.db2.gz PUJWTMFEIAFMCO-RYTBJUFESA-N 1 1 346.431 0.616 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001049780490 759195939 /nfs/dbraw/zinc/19/59/39/759195939.db2.gz HFJQOKCQMCTDMC-MCIONIFRSA-N 1 1 327.450 0.272 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c(C)cc(C)nc1=O ZINC001049813596 759245088 /nfs/dbraw/zinc/24/50/88/759245088.db2.gz GPTJLNOOYDPKII-SJORKVTESA-N 1 1 342.443 0.949 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O ZINC001049839476 759277898 /nfs/dbraw/zinc/27/78/98/759277898.db2.gz IFZZICFBBAQOAR-ZIAGYGMSSA-N 1 1 334.420 0.522 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O ZINC001049870716 759323986 /nfs/dbraw/zinc/32/39/86/759323986.db2.gz NHSQHLPIUVYQDE-LSDHHAIUSA-N 1 1 333.436 0.532 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCN(C(N)=O)CC1 ZINC001049883124 759342678 /nfs/dbraw/zinc/34/26/78/759342678.db2.gz HJJQTZQSQKROHL-CVEARBPZSA-N 1 1 332.448 0.866 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001047630873 759346110 /nfs/dbraw/zinc/34/61/10/759346110.db2.gz BTGXWUPQCFRXDK-JYJNAYRXSA-N 1 1 335.448 0.160 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001047630873 759346120 /nfs/dbraw/zinc/34/61/20/759346120.db2.gz BTGXWUPQCFRXDK-JYJNAYRXSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001049886301 759350036 /nfs/dbraw/zinc/35/00/36/759350036.db2.gz SNLKHJQQUQGDDU-MELADBBJSA-N 1 1 332.404 0.063 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001047637421 759369832 /nfs/dbraw/zinc/36/98/32/759369832.db2.gz XGGQXELQQUUHBO-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001047637421 759369843 /nfs/dbraw/zinc/36/98/43/759369843.db2.gz XGGQXELQQUUHBO-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001047638353 759373174 /nfs/dbraw/zinc/37/31/74/759373174.db2.gz OBNTXSDPUIIPRS-GJZGRUSLSA-N 1 1 339.399 0.612 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)COc1ccc(C(N)=O)cc1 ZINC001049898374 759377024 /nfs/dbraw/zinc/37/70/24/759377024.db2.gz BDXMNJRWJRYYRT-DLBZAZTESA-N 1 1 341.411 0.863 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 ZINC001049916810 759399409 /nfs/dbraw/zinc/39/94/09/759399409.db2.gz FTRIHZZASVXXBK-CABCVRRESA-N 1 1 346.435 0.409 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C(N)=O)n1 ZINC001049924469 759409900 /nfs/dbraw/zinc/40/99/00/759409900.db2.gz RSNJTXSXEFRUIM-JKSUJKDBSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccnc(-n2cncn2)c1 ZINC001049927084 759413151 /nfs/dbraw/zinc/41/31/51/759413151.db2.gz HEYSURVCKYYKPN-HZPDHXFCSA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001054242067 767857430 /nfs/dbraw/zinc/85/74/30/767857430.db2.gz DWDCVFIEBMYCJD-ZBFHGGJFSA-N 1 1 341.477 0.569 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C(N)=O)ccn1 ZINC001049935735 759427673 /nfs/dbraw/zinc/42/76/73/759427673.db2.gz LJNGOXGUWKILIK-HOTGVXAUSA-N 1 1 326.400 0.883 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001054242934 767858943 /nfs/dbraw/zinc/85/89/43/767858943.db2.gz UCMAILRJEHVQLD-SJLPKXTDSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)c3cccnc32)C1 ZINC001077429523 759481197 /nfs/dbraw/zinc/48/11/97/759481197.db2.gz WHGGDKZSCHFYBO-HZPDHXFCSA-N 1 1 343.431 0.867 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001017342709 767869342 /nfs/dbraw/zinc/86/93/42/767869342.db2.gz ASTCERFJIUJDIO-INIZCTEOSA-N 1 1 341.415 0.869 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)CC(N)=O)[C@@H]3C2)s1 ZINC001050003761 759534227 /nfs/dbraw/zinc/53/42/27/759534227.db2.gz SQSQACJZRHQLND-SMDDNHRTSA-N 1 1 332.429 0.918 20 30 ECEDMO NC(=O)CC(=O)N1CCC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001050003689 759534743 /nfs/dbraw/zinc/53/47/43/759534743.db2.gz OFTLSHZNNZLKOW-DLBZAZTESA-N 1 1 325.412 0.836 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC001050011184 759546882 /nfs/dbraw/zinc/54/68/82/759546882.db2.gz AJMNIGPMRQGVNR-CWRNSKLLSA-N 1 1 341.415 0.653 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001050025866 759566028 /nfs/dbraw/zinc/56/60/28/759566028.db2.gz IKWXQSXKLJPUBQ-NILFDRSVSA-N 1 1 329.404 0.687 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001050049305 759617260 /nfs/dbraw/zinc/61/72/60/759617260.db2.gz JJGBPGDVNRLYOJ-UONOGXRCSA-N 1 1 346.435 0.266 20 30 ECEDMO CN1C[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)CCC1=O ZINC001032207574 759646228 /nfs/dbraw/zinc/64/62/28/759646228.db2.gz CZQSVNIHQKSKCE-GOSISDBHSA-N 1 1 339.439 0.955 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001050088740 759683341 /nfs/dbraw/zinc/68/33/41/759683341.db2.gz MPZKQUFUXHCYNM-LSDHHAIUSA-N 1 1 331.416 0.472 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001050089909 759684033 /nfs/dbraw/zinc/68/40/33/759684033.db2.gz VHHZPXZSBBUIPX-UONOGXRCSA-N 1 1 332.404 0.448 20 30 ECEDMO Cc1ccc(C#N)c(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001125110273 759698717 /nfs/dbraw/zinc/69/87/17/759698717.db2.gz DQKIXOSCHBHARL-CVEARBPZSA-N 1 1 345.447 0.469 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001050112896 759735614 /nfs/dbraw/zinc/73/56/14/759735614.db2.gz JOEVCCQOGBSUEZ-RWMBFGLXSA-N 1 1 326.828 0.685 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001050112896 759735620 /nfs/dbraw/zinc/73/56/20/759735620.db2.gz JOEVCCQOGBSUEZ-RWMBFGLXSA-N 1 1 326.828 0.685 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001050152030 759810773 /nfs/dbraw/zinc/81/07/73/759810773.db2.gz CGVYHDDAJKCWHI-MELADBBJSA-N 1 1 334.420 0.474 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050153196 759812601 /nfs/dbraw/zinc/81/26/01/759812601.db2.gz RRYSOGOKTRZMGP-HRCADAONSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050153196 759812612 /nfs/dbraw/zinc/81/26/12/759812612.db2.gz RRYSOGOKTRZMGP-HRCADAONSA-N 1 1 338.473 0.757 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ncc(C#N)cc2F)C1 ZINC001107093916 759898429 /nfs/dbraw/zinc/89/84/29/759898429.db2.gz OMQCSJQPLYSNMS-HSWBROFVSA-N 1 1 333.367 0.507 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ncc(C#N)cc2F)C1 ZINC001107093916 759898433 /nfs/dbraw/zinc/89/84/33/759898433.db2.gz OMQCSJQPLYSNMS-HSWBROFVSA-N 1 1 333.367 0.507 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 ZINC001050194464 759912454 /nfs/dbraw/zinc/91/24/54/759912454.db2.gz CFFUPSIBUCWUIL-UONOGXRCSA-N 1 1 348.447 0.816 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C(N)=O)ccn3)[C@@H]2C1 ZINC001050217119 759955662 /nfs/dbraw/zinc/95/56/62/759955662.db2.gz BOBWOELDORMHMK-GOEBONIOSA-N 1 1 326.400 0.740 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001050219868 759960591 /nfs/dbraw/zinc/96/05/91/759960591.db2.gz GQAOASBLAZPYDP-HUUCEWRRSA-N 1 1 345.447 0.947 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001012487671 760068353 /nfs/dbraw/zinc/06/83/53/760068353.db2.gz BSKAAFAKMGOWBH-FZMZJTMJSA-N 1 1 340.387 0.811 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)[C@]3(C)CCCS3(=O)=O)C2)CC1 ZINC001050695956 760679407 /nfs/dbraw/zinc/67/94/07/760679407.db2.gz PZRDBPUUXRVDQK-INIZCTEOSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001050729930 760744892 /nfs/dbraw/zinc/74/48/92/760744892.db2.gz UJNLIAGVIZLNJY-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000995926509 760788702 /nfs/dbraw/zinc/78/87/02/760788702.db2.gz WAGOOJOIWIVONJ-JKSUJKDBSA-N 1 1 344.463 0.239 20 30 ECEDMO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C3)C1 ZINC000995975114 760875635 /nfs/dbraw/zinc/87/56/35/760875635.db2.gz HIKWKEVHFAHPIH-UGUYLWEFSA-N 1 1 347.459 0.921 20 30 ECEDMO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C3)C1 ZINC000995975114 760875648 /nfs/dbraw/zinc/87/56/48/760875648.db2.gz HIKWKEVHFAHPIH-UGUYLWEFSA-N 1 1 347.459 0.921 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3coc(S(N)(=O)=O)c3)CCC[C@@H]12 ZINC000991444972 760974628 /nfs/dbraw/zinc/97/46/28/760974628.db2.gz HFVMFNSMEJKQLK-DOMZBBRYSA-N 1 1 339.417 0.840 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048711856 760997627 /nfs/dbraw/zinc/99/76/27/760997627.db2.gz FYPYICYIFZYBNS-ULQDDVLXSA-N 1 1 349.475 0.552 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]3C2)C1=O ZINC001048723764 761045628 /nfs/dbraw/zinc/04/56/28/761045628.db2.gz OTJUJDSEAFCMFU-YYIAUSFCSA-N 1 1 346.475 0.258 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]3C2)C1=O ZINC001048723764 761045637 /nfs/dbraw/zinc/04/56/37/761045637.db2.gz OTJUJDSEAFCMFU-YYIAUSFCSA-N 1 1 346.475 0.258 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C[C@@H]2C1 ZINC001048725468 761048953 /nfs/dbraw/zinc/04/89/53/761048953.db2.gz SEEFKTYIAFQBEL-ZQDZILKHSA-N 1 1 332.448 0.984 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001048726045 761049863 /nfs/dbraw/zinc/04/98/63/761049863.db2.gz ZJFCASCAPLKQHU-ZQDZILKHSA-N 1 1 339.461 0.361 20 30 ECEDMO Cc1csc(=O)n1CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048725833 761050137 /nfs/dbraw/zinc/05/01/37/761050137.db2.gz WYQHSCSAQOFYCJ-FPMFFAJLSA-N 1 1 334.445 0.768 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000991487198 761178281 /nfs/dbraw/zinc/17/82/81/761178281.db2.gz RMJWOAFSEVHZQA-IRXDYDNUSA-N 1 1 346.475 0.284 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1coc(C)n1 ZINC001050962358 761230256 /nfs/dbraw/zinc/23/02/56/761230256.db2.gz JXVKGXKXNWCIRF-SJORKVTESA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1coc(C)n1 ZINC001050962358 761230262 /nfs/dbraw/zinc/23/02/62/761230262.db2.gz JXVKGXKXNWCIRF-SJORKVTESA-N 1 1 346.431 0.398 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001013262119 761241711 /nfs/dbraw/zinc/24/17/11/761241711.db2.gz PXRKXPMVHQRCMG-SMDDNHRTSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1OC ZINC001212150082 761318578 /nfs/dbraw/zinc/31/85/78/761318578.db2.gz OJDWHZBXHWBZGJ-ZIAGYGMSSA-N 1 1 327.400 0.081 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)c1 ZINC000991522505 761355240 /nfs/dbraw/zinc/35/52/40/761355240.db2.gz FWRUETWIFUOTOW-HIFRSBDPSA-N 1 1 341.415 0.701 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)C3(C(=O)NC)CC3)CC2)C1 ZINC001105728202 761369126 /nfs/dbraw/zinc/36/91/26/761369126.db2.gz OWZILUGHQCJBNX-UHFFFAOYSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001051056007 761407021 /nfs/dbraw/zinc/40/70/21/761407021.db2.gz GUTSCOHGEWUECO-AWEZNQCLSA-N 1 1 334.420 0.404 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001051056007 761407023 /nfs/dbraw/zinc/40/70/23/761407023.db2.gz GUTSCOHGEWUECO-AWEZNQCLSA-N 1 1 334.420 0.404 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001051085048 761461001 /nfs/dbraw/zinc/46/10/01/761461001.db2.gz ZCNFOSPCEWMPBI-ZDUSSCGKSA-N 1 1 344.419 0.760 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001051085048 761461008 /nfs/dbraw/zinc/46/10/08/761461008.db2.gz ZCNFOSPCEWMPBI-ZDUSSCGKSA-N 1 1 344.419 0.760 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)nn1 ZINC001054566585 768043681 /nfs/dbraw/zinc/04/36/81/768043681.db2.gz BEKZHWVLHQIIBB-NHYWBVRUSA-N 1 1 327.392 0.748 20 30 ECEDMO C#CCCN1CCOC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001051111447 761510287 /nfs/dbraw/zinc/51/02/87/761510287.db2.gz RAEPQONFTWHFBI-HNNXBMFYSA-N 1 1 346.431 0.724 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1nc(Cl)c(C#N)s1 ZINC001105754010 761529273 /nfs/dbraw/zinc/52/92/73/761529273.db2.gz DEGILKVBHFMUBM-DTWKUNHWSA-N 1 1 343.840 0.651 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CCOCC2)cn1 ZINC001051217127 761708289 /nfs/dbraw/zinc/70/82/89/761708289.db2.gz POXQRTGSDLDKHW-SFHVURJKSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC2CCOCC2)cn1 ZINC001051217127 761708297 /nfs/dbraw/zinc/70/82/97/761708297.db2.gz POXQRTGSDLDKHW-SFHVURJKSA-N 1 1 343.427 0.920 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nncn2C1 ZINC001051255963 761776826 /nfs/dbraw/zinc/77/68/26/761776826.db2.gz SGSRIGACPWBNGB-LSDHHAIUSA-N 1 1 333.436 0.624 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nncn2C1 ZINC001051255963 761776833 /nfs/dbraw/zinc/77/68/33/761776833.db2.gz SGSRIGACPWBNGB-LSDHHAIUSA-N 1 1 333.436 0.624 20 30 ECEDMO C=CC[N@H+]1CCc2c(CNC(=O)C3CS(=O)(=O)C3)cccc2C1 ZINC001051291277 761837409 /nfs/dbraw/zinc/83/74/09/761837409.db2.gz NLYQGCMABVYENI-UHFFFAOYSA-N 1 1 334.441 0.892 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)cccc2C1 ZINC001051296501 761844758 /nfs/dbraw/zinc/84/47/58/761844758.db2.gz SITJHJDBPLHTHM-DLBZAZTESA-N 1 1 325.412 0.806 20 30 ECEDMO C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CN(C)C(=O)N3)cccc2C1 ZINC001051297244 761847123 /nfs/dbraw/zinc/84/71/23/761847123.db2.gz JFVXRUODQAMXIA-INIZCTEOSA-N 1 1 328.416 0.871 20 30 ECEDMO CC#CC[N@H+]1CCc2c(CNC(=O)[C@H]3CCNC3=O)cccc2C1 ZINC001051297934 761848581 /nfs/dbraw/zinc/84/85/81/761848581.db2.gz URLKHCCHDOKRDP-KRWDZBQOSA-N 1 1 325.412 0.820 20 30 ECEDMO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CNC(=O)N3)cccc2C1 ZINC001051298897 761851630 /nfs/dbraw/zinc/85/16/30/761851630.db2.gz AMVKZXXHMUTSQZ-INIZCTEOSA-N 1 1 326.400 0.366 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCS(=O)(=O)C3)CCC[C@H]12 ZINC000991685824 762727011 /nfs/dbraw/zinc/72/70/11/762727011.db2.gz XONNWPHKIQTERZ-HLLBOEOZSA-N 1 1 338.473 0.948 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCS(=O)(=O)C3)CCC[C@H]12 ZINC000991685824 762727015 /nfs/dbraw/zinc/72/70/15/762727015.db2.gz XONNWPHKIQTERZ-HLLBOEOZSA-N 1 1 338.473 0.948 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001014472317 762729110 /nfs/dbraw/zinc/72/91/10/762729110.db2.gz VKJFAJDOGPWWSF-KFWWJZLASA-N 1 1 349.431 0.307 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001051701665 762733689 /nfs/dbraw/zinc/73/36/89/762733689.db2.gz UBOYYRKNHSXMML-CABCVRRESA-N 1 1 340.387 0.214 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cn4c(n3)CCC4)C2)C1=O ZINC001014481077 762738877 /nfs/dbraw/zinc/73/88/77/762738877.db2.gz WXAIHDFDUXOZFG-HIFRSBDPSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cn4c(n3)CCC4)C2)C1=O ZINC001014481077 762738882 /nfs/dbraw/zinc/73/88/82/762738882.db2.gz WXAIHDFDUXOZFG-HIFRSBDPSA-N 1 1 343.431 0.420 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001105917228 762743977 /nfs/dbraw/zinc/74/39/77/762743977.db2.gz FTGBPHRSPCKZLY-CYBMUJFWSA-N 1 1 337.399 0.713 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C[C@H]1O ZINC001051751553 762877290 /nfs/dbraw/zinc/87/72/90/762877290.db2.gz WMMKODBEVMVICH-HZPDHXFCSA-N 1 1 340.387 0.214 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)CC(C)(C)O)CC1 ZINC001017535868 768091962 /nfs/dbraw/zinc/09/19/62/768091962.db2.gz DXIHQTRZFBKXRS-INIZCTEOSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)CC(C)(C)O)CC1 ZINC001017535868 768091970 /nfs/dbraw/zinc/09/19/70/768091970.db2.gz DXIHQTRZFBKXRS-INIZCTEOSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000991717721 762923533 /nfs/dbraw/zinc/92/35/33/762923533.db2.gz BQHWPKCQNAVXGJ-OAHLLOKOSA-N 1 1 341.411 0.591 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001030401103 762937773 /nfs/dbraw/zinc/93/77/73/762937773.db2.gz MXMODOMPFFIUQM-JKSUJKDBSA-N 1 1 334.464 0.448 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991723023 762969729 /nfs/dbraw/zinc/96/97/29/762969729.db2.gz RLEGTDGSUDOBOB-KBMXLJTQSA-N 1 1 335.448 0.636 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001014711044 763025050 /nfs/dbraw/zinc/02/50/50/763025050.db2.gz LAQQNXIQVRTNKZ-CZUORRHYSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001014711044 763025053 /nfs/dbraw/zinc/02/50/53/763025053.db2.gz LAQQNXIQVRTNKZ-CZUORRHYSA-N 1 1 326.400 0.775 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H](C[NH2+]Cc3cn(CC)nn3)C2)C1 ZINC001051815157 763029194 /nfs/dbraw/zinc/02/91/94/763029194.db2.gz PQRLZQZSBRQPIS-HNNXBMFYSA-N 1 1 333.436 0.971 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccon3)C2)c1 ZINC001051818320 763036132 /nfs/dbraw/zinc/03/61/32/763036132.db2.gz ZTMODKONVQFFOQ-MRXNPFEDSA-N 1 1 326.356 0.682 20 30 ECEDMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014742822 763071147 /nfs/dbraw/zinc/07/11/47/763071147.db2.gz WQYPNDAXIDUWEH-QGZVFWFLSA-N 1 1 341.411 0.087 20 30 ECEDMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014742822 763071152 /nfs/dbraw/zinc/07/11/52/763071152.db2.gz WQYPNDAXIDUWEH-QGZVFWFLSA-N 1 1 341.411 0.087 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001046778786 763112704 /nfs/dbraw/zinc/11/27/04/763112704.db2.gz LQBBDOFNTXZJAX-IBGZPJMESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001046778786 763112708 /nfs/dbraw/zinc/11/27/08/763112708.db2.gz LQBBDOFNTXZJAX-IBGZPJMESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC3CC3)C2)nc1 ZINC001046781814 763117778 /nfs/dbraw/zinc/11/77/78/763117778.db2.gz QBUOEBSBVAOQBE-GOSISDBHSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC3CC3)C2)nc1 ZINC001046781814 763117783 /nfs/dbraw/zinc/11/77/83/763117783.db2.gz QBUOEBSBVAOQBE-GOSISDBHSA-N 1 1 326.400 0.536 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnc4n3CCC4)C2)C1=O ZINC001014768343 763121136 /nfs/dbraw/zinc/12/11/36/763121136.db2.gz CEIHIEMTFHMEAJ-UONOGXRCSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnc4n3CCC4)C2)C1=O ZINC001014768343 763121141 /nfs/dbraw/zinc/12/11/41/763121141.db2.gz CEIHIEMTFHMEAJ-UONOGXRCSA-N 1 1 343.431 0.420 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)nc1 ZINC001046784096 763122127 /nfs/dbraw/zinc/12/21/27/763122127.db2.gz WXVIXTSYHRYTKL-QAPCUYQASA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)nc1 ZINC001046784096 763122132 /nfs/dbraw/zinc/12/21/32/763122132.db2.gz WXVIXTSYHRYTKL-QAPCUYQASA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(COC)no2)C1 ZINC001014768585 763122956 /nfs/dbraw/zinc/12/29/56/763122956.db2.gz DMXMQLRCVMBVLL-KGLIPLIRSA-N 1 1 347.419 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(COC)no2)C1 ZINC001014768585 763122960 /nfs/dbraw/zinc/12/29/60/763122960.db2.gz DMXMQLRCVMBVLL-KGLIPLIRSA-N 1 1 347.419 0.004 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(OC)nc2)C1 ZINC001014770076 763125925 /nfs/dbraw/zinc/12/59/25/763125925.db2.gz NQIDTRUAAHNCJR-IRXDYDNUSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(OC)nc2)C1 ZINC001014770076 763125930 /nfs/dbraw/zinc/12/59/30/763125930.db2.gz NQIDTRUAAHNCJR-IRXDYDNUSA-N 1 1 342.443 0.878 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001054635278 768108868 /nfs/dbraw/zinc/10/88/68/768108868.db2.gz GUKYJYKMUUWMJO-WCQYABFASA-N 1 1 337.374 0.893 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001105972843 763135903 /nfs/dbraw/zinc/13/59/03/763135903.db2.gz QPINPRAWHTWNEZ-ZIAGYGMSSA-N 1 1 332.408 0.110 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(=O)n1C ZINC001089845608 763149132 /nfs/dbraw/zinc/14/91/32/763149132.db2.gz GBNNKTJEBATJIB-XQLPTFJDSA-N 1 1 328.416 0.931 20 30 ECEDMO Cc1nc(NC2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001051878667 763188506 /nfs/dbraw/zinc/18/85/06/763188506.db2.gz KUSQHLOEULPYHX-BCLQGDPASA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1nc(NC2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001051878667 763188509 /nfs/dbraw/zinc/18/85/09/763188509.db2.gz KUSQHLOEULPYHX-BCLQGDPASA-N 1 1 343.431 0.899 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NCC2=CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001127670739 763218677 /nfs/dbraw/zinc/21/86/77/763218677.db2.gz ZXTLSIIVXQGMQW-HNNXBMFYSA-N 1 1 340.431 0.943 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(OC)ccn3)C2)C1=O ZINC001031893345 763343465 /nfs/dbraw/zinc/34/34/65/763343465.db2.gz RXMNMSYSGHSBEZ-INIZCTEOSA-N 1 1 344.415 0.539 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CCCO)CCC2(F)F)c1 ZINC001046927748 763400833 /nfs/dbraw/zinc/40/08/33/763400833.db2.gz CUJGHMMEOXQCCF-LBPRGKRZSA-N 1 1 326.347 0.956 20 30 ECEDMO COCC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)COCCOC ZINC001098981561 763417802 /nfs/dbraw/zinc/41/78/02/763417802.db2.gz DTGQWIQNDREGEU-MRXNPFEDSA-N 1 1 340.464 0.906 20 30 ECEDMO CN(CCOCCNc1ncccc1C#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001127319819 768133049 /nfs/dbraw/zinc/13/30/49/768133049.db2.gz FCSRBYASMFBDMJ-HNNXBMFYSA-N 1 1 331.420 0.792 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001046941087 763427928 /nfs/dbraw/zinc/42/79/28/763427928.db2.gz GQPWNMOUOZABCY-LBPRGKRZSA-N 1 1 336.404 0.681 20 30 ECEDMO C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001046941087 763427934 /nfs/dbraw/zinc/42/79/34/763427934.db2.gz GQPWNMOUOZABCY-LBPRGKRZSA-N 1 1 336.404 0.681 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc3n2CCCC3)C1 ZINC001030462022 763433648 /nfs/dbraw/zinc/43/36/48/763433648.db2.gz HTUHZCDHCSDEKL-HNNXBMFYSA-N 1 1 342.447 0.012 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc3n2CCCC3)C1 ZINC001030462022 763433654 /nfs/dbraw/zinc/43/36/54/763433654.db2.gz HTUHZCDHCSDEKL-HNNXBMFYSA-N 1 1 342.447 0.012 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cccc(OCC)n2)C1 ZINC001030462208 763436903 /nfs/dbraw/zinc/43/69/03/763436903.db2.gz LPYMBKNXQCNFMG-KRWDZBQOSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cccc(OCC)n2)C1 ZINC001030462208 763436910 /nfs/dbraw/zinc/43/69/10/763436910.db2.gz LPYMBKNXQCNFMG-KRWDZBQOSA-N 1 1 342.443 0.878 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)C2)O1 ZINC001014922175 763457813 /nfs/dbraw/zinc/45/78/13/763457813.db2.gz AMDFEWKOJWRGOT-FHLIZLRMSA-N 1 1 342.443 0.968 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)C2)O1 ZINC001014922175 763457816 /nfs/dbraw/zinc/45/78/16/763457816.db2.gz AMDFEWKOJWRGOT-FHLIZLRMSA-N 1 1 342.443 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001046972151 763491955 /nfs/dbraw/zinc/49/19/55/763491955.db2.gz ZNWCERPZBQRKLZ-NSHDSACASA-N 1 1 325.315 0.699 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001046972151 763491959 /nfs/dbraw/zinc/49/19/59/763491959.db2.gz ZNWCERPZBQRKLZ-NSHDSACASA-N 1 1 325.315 0.699 20 30 ECEDMO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCCc3[nH+]ccn32)cn1 ZINC001105995270 763493847 /nfs/dbraw/zinc/49/38/47/763493847.db2.gz QUXSYNSZQXTIQA-LSDHHAIUSA-N 1 1 340.387 0.616 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(C)c3C)C2)CC1 ZINC001051981046 763507908 /nfs/dbraw/zinc/50/79/08/763507908.db2.gz MRRNDGDOWNUKBD-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001046994824 763532259 /nfs/dbraw/zinc/53/22/59/763532259.db2.gz HEXWXTXSUIFFTI-OAHLLOKOSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001046994824 763532268 /nfs/dbraw/zinc/53/22/68/763532268.db2.gz HEXWXTXSUIFFTI-OAHLLOKOSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001046996062 763535694 /nfs/dbraw/zinc/53/56/94/763535694.db2.gz SFJXFSPZZADZOK-ZIAGYGMSSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001046996062 763535697 /nfs/dbraw/zinc/53/56/97/763535697.db2.gz SFJXFSPZZADZOK-ZIAGYGMSSA-N 1 1 327.375 0.704 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnn(C)c3)C2)CC1 ZINC001051995200 763541913 /nfs/dbraw/zinc/54/19/13/763541913.db2.gz AVSJHLWQXGQVCJ-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccncc2C#N)C1 ZINC001047022923 763563260 /nfs/dbraw/zinc/56/32/60/763563260.db2.gz IOWXDFJFHSBEHB-DARAHFNDSA-N 1 1 327.432 0.880 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 ZINC001047023744 763564646 /nfs/dbraw/zinc/56/46/46/763564646.db2.gz UILPVSLXNNGPGI-NZBPQXDJSA-N 1 1 328.420 0.853 20 30 ECEDMO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc(C)n[nH]3)C2)CC1 ZINC001052010562 763577438 /nfs/dbraw/zinc/57/74/38/763577438.db2.gz BPOILRNCFYSGPV-KRWDZBQOSA-N 1 1 329.448 0.502 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(OC)no3)C2)CC1 ZINC001052014047 763587687 /nfs/dbraw/zinc/58/76/87/763587687.db2.gz CLMPQEBLFNCENP-CQSZACIVSA-N 1 1 332.404 0.539 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 ZINC001052019766 763601898 /nfs/dbraw/zinc/60/18/98/763601898.db2.gz ARJVEEXYPWNDQK-QGZVFWFLSA-N 1 1 327.432 0.261 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)C1 ZINC001106003586 763603483 /nfs/dbraw/zinc/60/34/83/763603483.db2.gz DXBVIPSJDQPXFG-UKRRQHHQSA-N 1 1 346.435 0.215 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C2)CC1 ZINC001052032314 763633678 /nfs/dbraw/zinc/63/36/78/763633678.db2.gz FLKUEYBVSPJBIQ-OAHLLOKOSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C2)CC1 ZINC001052035854 763645017 /nfs/dbraw/zinc/64/50/17/763645017.db2.gz RRRJPZSLBJNINM-AWEZNQCLSA-N 1 1 340.431 0.976 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)nnn3CC)C2)CC1 ZINC001052036952 763652699 /nfs/dbraw/zinc/65/26/99/763652699.db2.gz YYHWAPRQMPDSAI-INIZCTEOSA-N 1 1 344.463 0.462 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C2)CC1 ZINC001052037143 763653466 /nfs/dbraw/zinc/65/34/66/763653466.db2.gz DYDSKZAMZZBDQW-HNNXBMFYSA-N 1 1 343.431 0.131 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037140 763653536 /nfs/dbraw/zinc/65/35/36/763653536.db2.gz DUXPNBDIFMRXJA-SFHVURJKSA-N 1 1 343.475 0.513 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C2)CC1 ZINC001052037598 763655008 /nfs/dbraw/zinc/65/50/08/763655008.db2.gz OCVGOXMVEHLWFZ-CQSZACIVSA-N 1 1 341.419 0.371 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(CC)CCNC3=O)C2)CC1 ZINC001052041590 763668370 /nfs/dbraw/zinc/66/83/70/763668370.db2.gz MAEJINYGPCAOIQ-MAUKXSAKSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(CC)CCNC3=O)C2)CC1 ZINC001052041590 763668373 /nfs/dbraw/zinc/66/83/73/763668373.db2.gz MAEJINYGPCAOIQ-MAUKXSAKSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052044736 763679921 /nfs/dbraw/zinc/67/99/21/763679921.db2.gz LDGARJQHGXWWQH-MSOLQXFVSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052044736 763679924 /nfs/dbraw/zinc/67/99/24/763679924.db2.gz LDGARJQHGXWWQH-MSOLQXFVSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1OC ZINC001212185411 763684883 /nfs/dbraw/zinc/68/48/83/763684883.db2.gz ULYQPLPXIKKTSM-GVDBMIGSSA-N 1 1 340.464 0.639 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001052046389 763687650 /nfs/dbraw/zinc/68/76/50/763687650.db2.gz ZZHCFDIIIRXOFA-KGLIPLIRSA-N 1 1 340.493 0.796 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc4ncnn43)C2)CC1 ZINC001052047280 763689476 /nfs/dbraw/zinc/68/94/76/763689476.db2.gz LBDIDMDPZJPMFY-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC001052048070 763693643 /nfs/dbraw/zinc/69/36/43/763693643.db2.gz JWWYRONLWDMSCI-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)CC1 ZINC001052052657 763716865 /nfs/dbraw/zinc/71/68/65/763716865.db2.gz SUIRAMBDFWBQRS-FGTMMUONSA-N 1 1 346.475 0.791 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)nn1 ZINC001098757701 763722663 /nfs/dbraw/zinc/72/26/63/763722663.db2.gz RONNHQHJNWRZCM-AWEZNQCLSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3coc(C(N)=O)c3)C2)CC1 ZINC001052057011 763729433 /nfs/dbraw/zinc/72/94/33/763729433.db2.gz JQOMCDILWPWSMJ-AWEZNQCLSA-N 1 1 332.404 0.397 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cc1 ZINC001015042092 763734130 /nfs/dbraw/zinc/73/41/30/763734130.db2.gz HYZYPJAMFANMOR-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)c1 ZINC001015041860 763734614 /nfs/dbraw/zinc/73/46/14/763734614.db2.gz HMWLUQOCDNUVNQ-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)cc1 ZINC001047155235 763736563 /nfs/dbraw/zinc/73/65/63/763736563.db2.gz XPGWITPWNPCWDO-BPUTZDHNSA-N 1 1 341.411 0.767 20 30 ECEDMO Cc1n[nH]c(=O)c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1C ZINC001052060466 763739603 /nfs/dbraw/zinc/73/96/03/763739603.db2.gz FHCWCLTYHQLDPB-AWEZNQCLSA-N 1 1 344.419 0.155 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N(C)C)C3)nn1 ZINC001047159200 763742301 /nfs/dbraw/zinc/74/23/01/763742301.db2.gz COKGDQPPBMUXBB-MJBXVCDLSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cncs3)C2)CC1 ZINC001052081352 763797794 /nfs/dbraw/zinc/79/77/94/763797794.db2.gz AEEJTKPGHXVEAG-OAHLLOKOSA-N 1 1 332.473 0.927 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)nc(C)n3)C2)CC1 ZINC001052097038 763849638 /nfs/dbraw/zinc/84/96/38/763849638.db2.gz TWEJUYWOYBKAJY-QGZVFWFLSA-N 1 1 341.459 0.949 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4nncn4c3)C2)CC1 ZINC001052098953 763855294 /nfs/dbraw/zinc/85/52/94/763855294.db2.gz ROPXFAIRCSQMOD-INIZCTEOSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nn(CC)c3C)C2)CC1 ZINC001052099298 763857582 /nfs/dbraw/zinc/85/75/82/763857582.db2.gz YIHJBSMKYIQGCQ-KRWDZBQOSA-N 1 1 343.475 0.985 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106200 763880082 /nfs/dbraw/zinc/88/00/82/763880082.db2.gz FMMUSWXHBQRPBJ-GOEBONIOSA-N 1 1 342.447 0.257 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)C3CC4(C3)CCOCC4)C2)CC1 ZINC001052107061 763884816 /nfs/dbraw/zinc/88/48/16/763884816.db2.gz ZZDSVMIVWONFOF-KRWDZBQOSA-N 1 1 346.475 0.935 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2nc(C)cc(C#N)n2)C1 ZINC001106344809 768172209 /nfs/dbraw/zinc/17/22/09/768172209.db2.gz QOYGSRZDUSAKHY-DOMZBBRYSA-N 1 1 346.435 0.684 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2nc(C)cc(C#N)n2)C1 ZINC001106344809 768172214 /nfs/dbraw/zinc/17/22/14/768172214.db2.gz QOYGSRZDUSAKHY-DOMZBBRYSA-N 1 1 346.435 0.684 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3CC4(C3)CCOCC4)C2)CC1 ZINC001052107062 763885617 /nfs/dbraw/zinc/88/56/17/763885617.db2.gz ZZDSVMIVWONFOF-QGZVFWFLSA-N 1 1 346.475 0.935 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)CC1 ZINC001052109250 763895302 /nfs/dbraw/zinc/89/53/02/763895302.db2.gz ZJYBTRYYXPTVRQ-AWEZNQCLSA-N 1 1 346.431 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)CC1 ZINC001052109250 763895309 /nfs/dbraw/zinc/89/53/09/763895309.db2.gz ZJYBTRYYXPTVRQ-AWEZNQCLSA-N 1 1 346.431 0.814 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3Cc4cccnc4C3)C2)CC1 ZINC001052112771 763907775 /nfs/dbraw/zinc/90/77/75/763907775.db2.gz DAIHLSKDHZTNEJ-MSOLQXFVSA-N 1 1 338.455 0.648 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)CC1 ZINC001052113259 763911311 /nfs/dbraw/zinc/91/13/11/763911311.db2.gz QPBDXAHNLHOCBZ-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3cccc(F)c3)C2)CC1 ZINC001052117620 763928017 /nfs/dbraw/zinc/92/80/17/763928017.db2.gz VJYHOXUJKLZETE-MRXNPFEDSA-N 1 1 346.406 0.947 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052118970 763934775 /nfs/dbraw/zinc/93/47/75/763934775.db2.gz FCDJBBJUKMGIMW-RDJZCZTQSA-N 1 1 343.475 0.919 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052119046 763935439 /nfs/dbraw/zinc/93/54/39/763935439.db2.gz IEFFYTKVMORNOQ-DOTOQJQBSA-N 1 1 341.459 0.366 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)CC1 ZINC001052120078 763938004 /nfs/dbraw/zinc/93/80/04/763938004.db2.gz XUNXSMNZZUJZPW-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)CC1 ZINC001052120078 763938007 /nfs/dbraw/zinc/93/80/07/763938007.db2.gz XUNXSMNZZUJZPW-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCn3cc(C)cn3)C2)CC1 ZINC001052121464 763942301 /nfs/dbraw/zinc/94/23/01/763942301.db2.gz BUKONGNJOSYDRR-SFHVURJKSA-N 1 1 343.475 0.823 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CN(C)c3ccccc3)C2)CC1 ZINC001052122714 763947758 /nfs/dbraw/zinc/94/77/58/763947758.db2.gz YTSVMIDQFJAIHG-LJQANCHMSA-N 1 1 340.471 0.975 20 30 ECEDMO C#CCNC(=O)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2noc(C)n2)[C@H](C)C1 ZINC001106034592 763991445 /nfs/dbraw/zinc/99/14/45/763991445.db2.gz HVBNTQUFMLNTSQ-YRGRVCCFSA-N 1 1 347.419 0.263 20 30 ECEDMO Cc1ncc(C(=O)N(C)[C@H]2CN(Cc3ccccc3C#N)C[C@@H]2O)[nH]1 ZINC001047325760 764002512 /nfs/dbraw/zinc/00/25/12/764002512.db2.gz KJQFFBFIUJRPON-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO CN(C(=O)C[C@H]1CCOC1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047330735 764023380 /nfs/dbraw/zinc/02/33/80/764023380.db2.gz VKNXRRAGULOSFE-SQNIBIBYSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)C[C@H]1CCOC1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047330735 764023386 /nfs/dbraw/zinc/02/33/86/764023386.db2.gz VKNXRRAGULOSFE-SQNIBIBYSA-N 1 1 343.427 0.988 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cccn3)CC2)C1=O ZINC001052200928 764043809 /nfs/dbraw/zinc/04/38/09/764043809.db2.gz IYPXZVDOYVSMET-HZPDHXFCSA-N 1 1 345.447 0.641 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001047353865 764090361 /nfs/dbraw/zinc/09/03/61/764090361.db2.gz NOYLNELHSYDFBM-RCBQFDQVSA-N 1 1 332.404 0.430 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3nc(C)cc3C)C2)C1=O ZINC001015185356 764096406 /nfs/dbraw/zinc/09/64/06/764096406.db2.gz IOECDGUNUAZMFG-HOTGVXAUSA-N 1 1 345.447 0.477 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3nc(C)cc3C)C2)C1=O ZINC001015185356 764096414 /nfs/dbraw/zinc/09/64/14/764096414.db2.gz IOECDGUNUAZMFG-HOTGVXAUSA-N 1 1 345.447 0.477 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3cc[nH]n3)CC2)C1=O ZINC001052269951 764166217 /nfs/dbraw/zinc/16/62/17/764166217.db2.gz CVOLOKRDUWOUDW-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001047388805 764188378 /nfs/dbraw/zinc/18/83/78/764188378.db2.gz MFLYRZBZHDZNAU-HOTGVXAUSA-N 1 1 330.432 0.289 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001047388805 764188383 /nfs/dbraw/zinc/18/83/83/764188383.db2.gz MFLYRZBZHDZNAU-HOTGVXAUSA-N 1 1 330.432 0.289 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2C[NH+]([C@H](CC)C(N)=O)C2)cc1 ZINC001032030866 764205975 /nfs/dbraw/zinc/20/59/75/764205975.db2.gz JSXVMOFRPNGUBR-MRXNPFEDSA-N 1 1 329.400 0.624 20 30 ECEDMO C=CCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001047404745 764236216 /nfs/dbraw/zinc/23/62/16/764236216.db2.gz VAQVTGWGDAAKFP-JYJNAYRXSA-N 1 1 346.431 0.890 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)CC2)c[nH]1 ZINC001052319153 764242014 /nfs/dbraw/zinc/24/20/14/764242014.db2.gz TXCJSNVBOYSAOV-AWEZNQCLSA-N 1 1 327.392 0.762 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001047407911 764251659 /nfs/dbraw/zinc/25/16/59/764251659.db2.gz QHAILHIXNZNRCY-JQFCIGGWSA-N 1 1 330.432 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC001047408861 764254065 /nfs/dbraw/zinc/25/40/65/764254065.db2.gz GVTOGBHPYPVJBV-UWVGGRQHSA-N 1 1 330.310 0.569 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]c2C(F)(F)F)C1 ZINC001047408861 764254068 /nfs/dbraw/zinc/25/40/68/764254068.db2.gz GVTOGBHPYPVJBV-UWVGGRQHSA-N 1 1 330.310 0.569 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]c2C(F)(F)F)C1 ZINC001047408861 764254071 /nfs/dbraw/zinc/25/40/71/764254071.db2.gz GVTOGBHPYPVJBV-UWVGGRQHSA-N 1 1 330.310 0.569 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ccc(C)cc23)C1 ZINC001047417739 764281200 /nfs/dbraw/zinc/28/12/00/764281200.db2.gz TWPMVDGZNZIBJT-IRXDYDNUSA-N 1 1 326.400 0.783 20 30 ECEDMO C=C(Br)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778473 764286786 /nfs/dbraw/zinc/28/67/86/764286786.db2.gz NWBVEOCLNBNKSP-XQQFMLRXSA-N 1 1 346.269 0.541 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)CNc2cncc(C#N)n2)C1 ZINC001106070187 764308979 /nfs/dbraw/zinc/30/89/79/764308979.db2.gz LQJKNWZOGQKHMJ-DZGCQCFKSA-N 1 1 346.435 0.359 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001047426484 764310281 /nfs/dbraw/zinc/31/02/81/764310281.db2.gz HURXTCPUVJELSV-HOTGVXAUSA-N 1 1 331.416 0.818 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001047426484 764310285 /nfs/dbraw/zinc/31/02/85/764310285.db2.gz HURXTCPUVJELSV-HOTGVXAUSA-N 1 1 331.416 0.818 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001047434405 764335572 /nfs/dbraw/zinc/33/55/72/764335572.db2.gz VLXLTKYEOREOHE-STQMWFEESA-N 1 1 331.376 0.357 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001047448667 764378249 /nfs/dbraw/zinc/37/82/49/764378249.db2.gz VEEIGLJRCGPJSF-IRXDYDNUSA-N 1 1 329.400 0.073 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001047448667 764378259 /nfs/dbraw/zinc/37/82/59/764378259.db2.gz VEEIGLJRCGPJSF-IRXDYDNUSA-N 1 1 329.400 0.073 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3n[nH]nc32)C1 ZINC001047452871 764393495 /nfs/dbraw/zinc/39/34/95/764393495.db2.gz YYBWCGVPVPHBIY-STQMWFEESA-N 1 1 330.392 0.436 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nc(CC)nc2C)C1 ZINC001047462892 764417561 /nfs/dbraw/zinc/41/75/61/764417561.db2.gz OBTBHRUMLDNFCC-HOTGVXAUSA-N 1 1 330.432 0.335 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nc(CC)nc2C)C1 ZINC001047462892 764417567 /nfs/dbraw/zinc/41/75/67/764417567.db2.gz OBTBHRUMLDNFCC-HOTGVXAUSA-N 1 1 330.432 0.335 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001047464791 764421909 /nfs/dbraw/zinc/42/19/09/764421909.db2.gz JXOMSJPHBRJKAC-KBPBESRZSA-N 1 1 329.404 0.960 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001047468312 764429035 /nfs/dbraw/zinc/42/90/35/764429035.db2.gz BZQOIDNXSFASGE-GJZGRUSLSA-N 1 1 343.387 0.216 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001047468312 764429041 /nfs/dbraw/zinc/42/90/41/764429041.db2.gz BZQOIDNXSFASGE-GJZGRUSLSA-N 1 1 343.387 0.216 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cc(F)ccc3n2)C1 ZINC001047473010 764443044 /nfs/dbraw/zinc/44/30/44/764443044.db2.gz JXQJAYWXCSDFHQ-GJZGRUSLSA-N 1 1 332.379 0.705 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cncc(OC)n1 ZINC001089873099 764461525 /nfs/dbraw/zinc/46/15/25/764461525.db2.gz ODGDHFNYAJCOHI-NHIYQJMISA-N 1 1 326.400 0.901 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001077480003 764463610 /nfs/dbraw/zinc/46/36/10/764463610.db2.gz FYSUIPZBQJIPNL-FVQBIDKESA-N 1 1 327.384 0.297 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001077480003 764463614 /nfs/dbraw/zinc/46/36/14/764463614.db2.gz FYSUIPZBQJIPNL-FVQBIDKESA-N 1 1 327.384 0.297 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001052429519 764478199 /nfs/dbraw/zinc/47/81/99/764478199.db2.gz NGUKVVDMXATOOL-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)CC1 ZINC001052439788 764499565 /nfs/dbraw/zinc/49/95/65/764499565.db2.gz SSLUYAGLQUEVQI-GFCCVEGCSA-N 1 1 327.388 0.891 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001077480579 764517375 /nfs/dbraw/zinc/51/73/75/764517375.db2.gz YGNDSHVQJVFXNQ-NUEKZKHPSA-N 1 1 329.400 0.850 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001047500690 764523377 /nfs/dbraw/zinc/52/33/77/764523377.db2.gz FRNHBJDUGZBINJ-JQFCIGGWSA-N 1 1 330.432 0.052 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503520 764534433 /nfs/dbraw/zinc/53/44/33/764534433.db2.gz GHGYBUCTARHWFF-AVGNSLFASA-N 1 1 335.370 0.560 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503520 764534437 /nfs/dbraw/zinc/53/44/37/764534437.db2.gz GHGYBUCTARHWFF-AVGNSLFASA-N 1 1 335.370 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2nnn3C)C1 ZINC001047504530 764536883 /nfs/dbraw/zinc/53/68/83/764536883.db2.gz NDGDMZDTMXAJKQ-KBPBESRZSA-N 1 1 344.419 0.447 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC001052457844 764542881 /nfs/dbraw/zinc/54/28/81/764542881.db2.gz WEBKXXQYCIYVIF-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)C[C@@H](NC(=O)CNC(N)=O)c1ccccc1O2 ZINC001111528887 764546275 /nfs/dbraw/zinc/54/62/75/764546275.db2.gz ANZJDIQYRZAABB-KDOFPFPSSA-N 1 1 342.399 0.372 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2O)CC1 ZINC001047512942 764556569 /nfs/dbraw/zinc/55/65/69/764556569.db2.gz YRUUYKCMQIEFML-IKGGRYGDSA-N 1 1 349.475 0.857 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2O)CC1 ZINC001047512942 764556576 /nfs/dbraw/zinc/55/65/76/764556576.db2.gz YRUUYKCMQIEFML-IKGGRYGDSA-N 1 1 349.475 0.857 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2O)CC1 ZINC001047514196 764557891 /nfs/dbraw/zinc/55/78/91/764557891.db2.gz VVGUXFHQTVFZQV-BPUTZDHNSA-N 1 1 337.464 0.713 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2O)CC1 ZINC001047514196 764557894 /nfs/dbraw/zinc/55/78/94/764557894.db2.gz VVGUXFHQTVFZQV-BPUTZDHNSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ncc[nH]3)[C@H]2C)C1=O ZINC001088941678 764562701 /nfs/dbraw/zinc/56/27/01/764562701.db2.gz NZNMWHAWEWJGDV-RDBSUJKOSA-N 1 1 331.420 0.318 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3oc(CC)nc3C)C2)C1=O ZINC001032104446 764571673 /nfs/dbraw/zinc/57/16/73/764571673.db2.gz MFVIXCJMOKPYKH-AWEZNQCLSA-N 1 1 346.431 0.994 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)c1 ZINC001047520811 764577325 /nfs/dbraw/zinc/57/73/25/764577325.db2.gz CPZSMPCLCAYXRQ-IRXDYDNUSA-N 1 1 339.399 0.077 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001047521167 764579639 /nfs/dbraw/zinc/57/96/39/764579639.db2.gz MYDNRGBPQAQEMY-IRXDYDNUSA-N 1 1 343.427 0.245 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cccn3)n2)C1 ZINC001047525663 764593043 /nfs/dbraw/zinc/59/30/43/764593043.db2.gz XTXMFFAPVKMTLY-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cccn3)n2)C1 ZINC001047525663 764593047 /nfs/dbraw/zinc/59/30/47/764593047.db2.gz XTXMFFAPVKMTLY-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001047530356 764610874 /nfs/dbraw/zinc/61/08/74/764610874.db2.gz ACBRMXIFZBNQBH-BBWFWOEESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001047531316 764612238 /nfs/dbraw/zinc/61/22/38/764612238.db2.gz MTFMLFSGNFGKDK-BBWFWOEESA-N 1 1 349.475 0.864 20 30 ECEDMO N#CCN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089877464 764623317 /nfs/dbraw/zinc/62/33/17/764623317.db2.gz ZXJAMTSUAIGREP-HZMVEIRTSA-N 1 1 332.448 0.401 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001052500299 764623292 /nfs/dbraw/zinc/62/32/92/764623292.db2.gz DZNLKILNYKTIGD-LBPRGKRZSA-N 1 1 327.406 0.697 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001077481701 764626492 /nfs/dbraw/zinc/62/64/92/764626492.db2.gz BFHAOXLJWJZZQR-HUUCEWRRSA-N 1 1 325.372 0.066 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001052501347 764627527 /nfs/dbraw/zinc/62/75/27/764627527.db2.gz CRWYZXCTFCJJNW-CQSZACIVSA-N 1 1 342.871 0.484 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001047548661 764660667 /nfs/dbraw/zinc/66/06/67/764660667.db2.gz FRQASMBOXZHUMM-YQQAZPJKSA-N 1 1 332.375 0.656 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001047548661 764660673 /nfs/dbraw/zinc/66/06/73/764660673.db2.gz FRQASMBOXZHUMM-YQQAZPJKSA-N 1 1 332.375 0.656 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001089884783 764686206 /nfs/dbraw/zinc/68/62/06/764686206.db2.gz WLWBEMHZWOEXLY-QEWYBTABSA-N 1 1 340.427 0.919 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(OC)nn1 ZINC001089886017 764697898 /nfs/dbraw/zinc/69/78/98/764697898.db2.gz LNOKANCAVCSTGQ-FQLMCAECSA-N 1 1 326.400 0.901 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001047566129 764709198 /nfs/dbraw/zinc/70/91/98/764709198.db2.gz XGKFCQZEDRLVQH-GJZGRUSLSA-N 1 1 333.388 0.056 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccccc2NC(C)=O)C1 ZINC001047569194 764719291 /nfs/dbraw/zinc/71/92/91/764719291.db2.gz SSPKJLTYNUMHCA-IRXDYDNUSA-N 1 1 331.416 0.877 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001047572108 764731658 /nfs/dbraw/zinc/73/16/58/764731658.db2.gz HCYLKBPSIZSCJF-IKGGRYGDSA-N 1 1 343.427 0.941 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(F)ccc2OC)C1 ZINC001047573149 764734980 /nfs/dbraw/zinc/73/49/80/764734980.db2.gz VOGKEEUWVOPSKD-HOTGVXAUSA-N 1 1 334.391 0.904 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(F)ccc2OC)C1 ZINC001047573149 764734988 /nfs/dbraw/zinc/73/49/88/764734988.db2.gz VOGKEEUWVOPSKD-HOTGVXAUSA-N 1 1 334.391 0.904 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncccn3n2)C1 ZINC001047573871 764738797 /nfs/dbraw/zinc/73/87/97/764738797.db2.gz PWDPZKNHZXONGG-STQMWFEESA-N 1 1 330.392 0.208 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001047585890 764784027 /nfs/dbraw/zinc/78/40/27/764784027.db2.gz XNNRKIZNJSYXEY-GJZGRUSLSA-N 1 1 327.388 0.775 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001047585890 764784030 /nfs/dbraw/zinc/78/40/30/764784030.db2.gz XNNRKIZNJSYXEY-GJZGRUSLSA-N 1 1 327.388 0.775 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001032138029 764791938 /nfs/dbraw/zinc/79/19/38/764791938.db2.gz IRQHNKJVJWGSSK-MRXNPFEDSA-N 1 1 326.400 0.345 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001052584430 764798804 /nfs/dbraw/zinc/79/88/04/764798804.db2.gz RFYLOLOLXBHMOZ-HIFRSBDPSA-N 1 1 329.404 0.360 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001047593869 764815308 /nfs/dbraw/zinc/81/53/08/764815308.db2.gz ZNOVPSNNFYXIMP-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnn4cc[nH]c34)C2)C1=O ZINC001032153652 764818486 /nfs/dbraw/zinc/81/84/86/764818486.db2.gz VHZIFVQWJSEETH-AWEZNQCLSA-N 1 1 342.403 0.111 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1C#N ZINC001015504913 764820983 /nfs/dbraw/zinc/82/09/83/764820983.db2.gz RRZKPXWGZJTZOA-HUUCEWRRSA-N 1 1 342.399 0.393 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1C#N ZINC001015504913 764820990 /nfs/dbraw/zinc/82/09/90/764820990.db2.gz RRZKPXWGZJTZOA-HUUCEWRRSA-N 1 1 342.399 0.393 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001052599532 764829771 /nfs/dbraw/zinc/82/97/71/764829771.db2.gz NNGUYTVFLFYCSN-HOCLYGCPSA-N 1 1 346.431 0.442 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001052599846 764830237 /nfs/dbraw/zinc/83/02/37/764830237.db2.gz PWHNQUYFDMSKJD-CVEARBPZSA-N 1 1 337.464 0.579 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001052600469 764832956 /nfs/dbraw/zinc/83/29/56/764832956.db2.gz YIODZPSBOXBNCK-HZPDHXFCSA-N 1 1 337.464 0.579 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047623827 764910546 /nfs/dbraw/zinc/91/05/46/764910546.db2.gz AVWUQFWLTXVNIE-XIRDDKMYSA-N 1 1 347.459 0.304 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047623827 764910551 /nfs/dbraw/zinc/91/05/51/764910551.db2.gz AVWUQFWLTXVNIE-XIRDDKMYSA-N 1 1 347.459 0.304 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001047623825 764910648 /nfs/dbraw/zinc/91/06/48/764910648.db2.gz AVOFVGUJQOCZNX-GJZGRUSLSA-N 1 1 332.404 0.158 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001047623825 764910656 /nfs/dbraw/zinc/91/06/56/764910656.db2.gz AVOFVGUJQOCZNX-GJZGRUSLSA-N 1 1 332.404 0.158 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c3ccccc3oc2=O)C1 ZINC001047624044 764912339 /nfs/dbraw/zinc/91/23/39/764912339.db2.gz DYSWNYGXWRQDMO-GJZGRUSLSA-N 1 1 343.383 0.121 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H](CNC(=O)CSCC#N)C1 ZINC001052642072 764920122 /nfs/dbraw/zinc/92/01/22/764920122.db2.gz OWKXGWPQVZZUSZ-GXTWGEPZSA-N 1 1 349.460 0.659 20 30 ECEDMO C#CCN1CC[C@]2(NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991955220 764930938 /nfs/dbraw/zinc/93/09/38/764930938.db2.gz LUPSVRIZTLGMCF-WOKXDISNSA-N 1 1 329.444 0.596 20 30 ECEDMO C#CCN1CC[C@]2(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991955220 764930943 /nfs/dbraw/zinc/93/09/43/764930943.db2.gz LUPSVRIZTLGMCF-WOKXDISNSA-N 1 1 329.444 0.596 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)CC2)c1 ZINC001052670412 764969907 /nfs/dbraw/zinc/96/99/07/764969907.db2.gz FMYJGMUCXLHOOS-JKSUJKDBSA-N 1 1 341.415 0.710 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)c1 ZINC001052696668 765001289 /nfs/dbraw/zinc/00/12/89/765001289.db2.gz TTYKTOCDUUQJGS-INIZCTEOSA-N 1 1 340.427 0.926 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC001052708348 765020749 /nfs/dbraw/zinc/02/07/49/765020749.db2.gz XHJSCDSBUZRCSG-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001052721976 765043502 /nfs/dbraw/zinc/04/35/02/765043502.db2.gz JIADXXLSIKGAGJ-IMJJTQAJSA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cn(C)nn3)CC2)nn1 ZINC001052774824 765096016 /nfs/dbraw/zinc/09/60/16/765096016.db2.gz KZSPGVHBACEHRU-ZDUSSCGKSA-N 1 1 344.423 0.377 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cn(C)nn3)CC2)nn1 ZINC001052774824 765096020 /nfs/dbraw/zinc/09/60/20/765096020.db2.gz KZSPGVHBACEHRU-ZDUSSCGKSA-N 1 1 344.423 0.377 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)CC2)nn1 ZINC001052774764 765096240 /nfs/dbraw/zinc/09/62/40/765096240.db2.gz IOLWRQCWLAXXIK-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001052785698 765118723 /nfs/dbraw/zinc/11/87/23/765118723.db2.gz KWFVRNZCCUXLBG-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cccnc3OC)C2)C1=O ZINC001015645161 765120801 /nfs/dbraw/zinc/12/08/01/765120801.db2.gz AHTALZHENXJCNE-HIFRSBDPSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cccnc3OC)C2)C1=O ZINC001015645161 765120803 /nfs/dbraw/zinc/12/08/03/765120803.db2.gz AHTALZHENXJCNE-HIFRSBDPSA-N 1 1 344.415 0.681 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)C2)CC1 ZINC001015660024 765134828 /nfs/dbraw/zinc/13/48/28/765134828.db2.gz PLEDHTBZXPQWMW-OAHLLOKOSA-N 1 1 348.447 0.865 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001015678390 765149056 /nfs/dbraw/zinc/14/90/56/765149056.db2.gz GRQWEZXSWOLBTD-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001015678390 765149062 /nfs/dbraw/zinc/14/90/62/765149062.db2.gz GRQWEZXSWOLBTD-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C2)c1 ZINC001015679899 765151765 /nfs/dbraw/zinc/15/17/65/765151765.db2.gz PMZIZLVDOHGJSO-IRXDYDNUSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C2)c1 ZINC001015679899 765151767 /nfs/dbraw/zinc/15/17/67/765151767.db2.gz PMZIZLVDOHGJSO-IRXDYDNUSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC1 ZINC001052822575 765182592 /nfs/dbraw/zinc/18/25/92/765182592.db2.gz MOAOSRMWNMMSRT-INIZCTEOSA-N 1 1 330.432 0.854 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001052866564 765253439 /nfs/dbraw/zinc/25/34/39/765253439.db2.gz ZFFNRBZXOYDIMR-GFCCVEGCSA-N 1 1 328.376 0.025 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000992046762 765275934 /nfs/dbraw/zinc/27/59/34/765275934.db2.gz MJSLXQXLGUELDO-YQGLWYKZSA-N 1 1 343.431 0.851 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)nc1 ZINC001052876415 765278589 /nfs/dbraw/zinc/27/85/89/765278589.db2.gz VOZCJSQFGHWKBN-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C)n2)C1 ZINC001089126884 765331857 /nfs/dbraw/zinc/33/18/57/765331857.db2.gz KSBVZMPNZAESMF-ZFWWWQNUSA-N 1 1 343.431 0.706 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)cc1 ZINC001015803797 765355954 /nfs/dbraw/zinc/35/59/54/765355954.db2.gz PRPGQMRDUYBQND-MRXNPFEDSA-N 1 1 341.411 0.735 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)cc1 ZINC001015803797 765355964 /nfs/dbraw/zinc/35/59/64/765355964.db2.gz PRPGQMRDUYBQND-MRXNPFEDSA-N 1 1 341.411 0.735 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCCc3nc(C)no3)C2)nn1 ZINC001015811583 765370917 /nfs/dbraw/zinc/37/09/17/765370917.db2.gz IVFHZINEHFWOGN-CYBMUJFWSA-N 1 1 345.407 0.592 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001015812689 765372527 /nfs/dbraw/zinc/37/25/27/765372527.db2.gz ZVZGCZUFPZXCBK-CQSZACIVSA-N 1 1 329.408 0.510 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001015812689 765372537 /nfs/dbraw/zinc/37/25/37/765372537.db2.gz ZVZGCZUFPZXCBK-CQSZACIVSA-N 1 1 329.408 0.510 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001015823819 765387546 /nfs/dbraw/zinc/38/75/46/765387546.db2.gz AQWRMXAIYKEYPS-HLLBOEOZSA-N 1 1 328.416 0.978 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)s1 ZINC001015833985 765402075 /nfs/dbraw/zinc/40/20/75/765402075.db2.gz GHMZNWGALNATAF-RYUDHWBXSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)s1 ZINC001015833985 765402078 /nfs/dbraw/zinc/40/20/78/765402078.db2.gz GHMZNWGALNATAF-RYUDHWBXSA-N 1 1 332.429 0.979 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 ZINC000992087295 765434199 /nfs/dbraw/zinc/43/41/99/765434199.db2.gz VIIYKXQBQFBMLA-XJKSGUPXSA-N 1 1 340.855 0.284 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 ZINC000992087295 765434203 /nfs/dbraw/zinc/43/42/03/765434203.db2.gz VIIYKXQBQFBMLA-XJKSGUPXSA-N 1 1 340.855 0.284 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001052981082 765453088 /nfs/dbraw/zinc/45/30/88/765453088.db2.gz MOPLJEYWNARPKY-DLBZAZTESA-N 1 1 349.475 0.579 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CCO)CC1 ZINC001052990149 765468027 /nfs/dbraw/zinc/46/80/27/765468027.db2.gz MZEDKULYXIPMNQ-HDICACEKSA-N 1 1 331.460 0.532 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001077490092 765478284 /nfs/dbraw/zinc/47/82/84/765478284.db2.gz RPCQUFBQFLKSIL-IAGOWNOFSA-N 1 1 327.384 0.975 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001053011442 765483820 /nfs/dbraw/zinc/48/38/20/765483820.db2.gz HBYBWUNNIQQCPS-CABCVRRESA-N 1 1 331.420 0.568 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000992111843 765520146 /nfs/dbraw/zinc/52/01/46/765520146.db2.gz ABFFDONQJBDAIB-MOKVOYLWSA-N 1 1 346.435 0.040 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)C2)c1 ZINC001015907063 765525814 /nfs/dbraw/zinc/52/58/14/765525814.db2.gz FAQURCQPXWHIAA-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)C2)c1 ZINC001015907063 765525819 /nfs/dbraw/zinc/52/58/19/765525819.db2.gz FAQURCQPXWHIAA-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001053104296 765580666 /nfs/dbraw/zinc/58/06/66/765580666.db2.gz DNPMRWSJOWFTKC-LSDHHAIUSA-N 1 1 346.431 0.265 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)[C@@H](O)C1 ZINC001083729564 768312234 /nfs/dbraw/zinc/31/22/34/768312234.db2.gz FDZQYNHFIGELDC-MJBXVCDLSA-N 1 1 349.397 0.998 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(CC=C)C3=O)C2)nc1 ZINC001016026785 765730319 /nfs/dbraw/zinc/73/03/19/765730319.db2.gz JJGJHYTXOMREJP-WBVHZDCISA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(CC=C)C3=O)C2)nc1 ZINC001016026785 765730322 /nfs/dbraw/zinc/73/03/22/765730322.db2.gz JJGJHYTXOMREJP-WBVHZDCISA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001016032490 765734593 /nfs/dbraw/zinc/73/45/93/765734593.db2.gz ASBKPKVZWGMCQV-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001016032490 765734600 /nfs/dbraw/zinc/73/46/00/765734600.db2.gz ASBKPKVZWGMCQV-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@H](C)C(=O)NC)CC3)c1 ZINC000992182871 765797647 /nfs/dbraw/zinc/79/76/47/765797647.db2.gz YRAGJBBTXVMJHX-AZOIQLNYSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001016137487 765831481 /nfs/dbraw/zinc/83/14/81/765831481.db2.gz UMAKNHHAGUGKJQ-JSGCOSHPSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001016137487 765831484 /nfs/dbraw/zinc/83/14/84/765831484.db2.gz UMAKNHHAGUGKJQ-JSGCOSHPSA-N 1 1 331.420 0.563 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccsn2)C1 ZINC000992199449 765868909 /nfs/dbraw/zinc/86/89/09/765868909.db2.gz FSKQWRSAFARHQK-PIMMBPRGSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccsn2)C1 ZINC000992199449 765868915 /nfs/dbraw/zinc/86/89/15/765868915.db2.gz FSKQWRSAFARHQK-PIMMBPRGSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cnn(C)c2)C1 ZINC000992205862 765892978 /nfs/dbraw/zinc/89/29/78/765892978.db2.gz GARIAURZIKCHAI-BCLQGDPASA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cnn(C)c2)C1 ZINC000992205862 765892982 /nfs/dbraw/zinc/89/29/82/765892982.db2.gz GARIAURZIKCHAI-BCLQGDPASA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)C[C@H]2CCOC2)C1 ZINC000992207563 765894738 /nfs/dbraw/zinc/89/47/38/765894738.db2.gz NHAZPBPWSIUJEI-VXLLPVPCSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)C[C@H]2CCOC2)C1 ZINC000992207563 765894746 /nfs/dbraw/zinc/89/47/46/765894746.db2.gz NHAZPBPWSIUJEI-VXLLPVPCSA-N 1 1 347.459 0.522 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCCc3[nH+]ccn31)CCO2 ZINC001053287267 765910564 /nfs/dbraw/zinc/91/05/64/765910564.db2.gz RJVHZTDYXGGCIU-OAHLLOKOSA-N 1 1 328.416 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cncn2C)C1 ZINC000992209695 765912385 /nfs/dbraw/zinc/91/23/85/765912385.db2.gz ZHYNWEREPYIZLR-NRXISQOPSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cncn2C)C1 ZINC000992209695 765912389 /nfs/dbraw/zinc/91/23/89/765912389.db2.gz ZHYNWEREPYIZLR-NRXISQOPSA-N 1 1 343.431 0.142 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(C(=O)C#CC2CC2)CC1 ZINC001017738861 768338339 /nfs/dbraw/zinc/33/83/39/768338339.db2.gz YLSRWULYGOWHKL-RHSMWYFYSA-N 1 1 329.444 0.872 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cncnc3CC)C2)C1=O ZINC001016273738 766018319 /nfs/dbraw/zinc/01/83/19/766018319.db2.gz BCYODVAIKNGITL-CZUORRHYSA-N 1 1 343.431 0.630 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cncnc3CC)C2)C1=O ZINC001016273738 766018324 /nfs/dbraw/zinc/01/83/24/766018324.db2.gz BCYODVAIKNGITL-CZUORRHYSA-N 1 1 343.431 0.630 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001016284670 766037395 /nfs/dbraw/zinc/03/73/95/766037395.db2.gz SRKHVXVFMVYQNV-HIFRSBDPSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001016284670 766037404 /nfs/dbraw/zinc/03/74/04/766037404.db2.gz SRKHVXVFMVYQNV-HIFRSBDPSA-N 1 1 329.404 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cnns2)C1 ZINC001016289838 766049244 /nfs/dbraw/zinc/04/92/44/766049244.db2.gz IKAYGZZMKXHLGV-BPCQOVAHSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cnns2)C1 ZINC001016289838 766049254 /nfs/dbraw/zinc/04/92/54/766049254.db2.gz IKAYGZZMKXHLGV-BPCQOVAHSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccnn2C)C1 ZINC001016307847 766088064 /nfs/dbraw/zinc/08/80/64/766088064.db2.gz IZXNKDSMUVUNJA-NRXISQOPSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccnn2C)C1 ZINC001016307847 766088071 /nfs/dbraw/zinc/08/80/71/766088071.db2.gz IZXNKDSMUVUNJA-NRXISQOPSA-N 1 1 343.431 0.237 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000992263604 766093036 /nfs/dbraw/zinc/09/30/36/766093036.db2.gz NTEUGXPJZYNRER-IMRCBTMISA-N 1 1 340.427 0.782 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001053429679 766119922 /nfs/dbraw/zinc/11/99/22/766119922.db2.gz UCPXPJOZMPPGII-JSGCOSHPSA-N 1 1 327.856 0.850 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)Cn3ncn4nccc4c3=O)CCC[C@H]12 ZINC000992277254 766131183 /nfs/dbraw/zinc/13/11/83/766131183.db2.gz WJMKTHYKNWNFDT-WMLDXEAASA-N 1 1 342.403 0.190 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)c1 ZINC001016411483 766250130 /nfs/dbraw/zinc/25/01/30/766250130.db2.gz QAMALYULWXTTBK-CVEARBPZSA-N 1 1 341.415 0.792 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](C[C@H]4CCOC4)C3)C2)cn1 ZINC001053511888 766264120 /nfs/dbraw/zinc/26/41/20/766264120.db2.gz GOCPJCYMUYYNME-OAHLLOKOSA-N 1 1 341.411 0.626 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106126026 766267699 /nfs/dbraw/zinc/26/76/99/766267699.db2.gz GBOWGBKPOTTXSY-CQSZACIVSA-N 1 1 342.403 0.862 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001106126155 766269980 /nfs/dbraw/zinc/26/99/80/766269980.db2.gz HNVGEFHSTCXSGZ-ZDUSSCGKSA-N 1 1 343.391 0.257 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)[C@@H](O)C1 ZINC001083690426 766343939 /nfs/dbraw/zinc/34/39/39/766343939.db2.gz RYHZOXHGKBFGKQ-OLZOCXBDSA-N 1 1 334.420 0.965 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2oncc2C)C1 ZINC000992355515 766365223 /nfs/dbraw/zinc/36/52/23/766365223.db2.gz DERPCOAKQWBWIC-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2oncc2C)C1 ZINC000992355515 766365227 /nfs/dbraw/zinc/36/52/27/766365227.db2.gz DERPCOAKQWBWIC-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2n[nH]cc2C)C1 ZINC001016485689 766365251 /nfs/dbraw/zinc/36/52/51/766365251.db2.gz COGPGTWRWCUXTP-NRXISQOPSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2n[nH]cc2C)C1 ZINC001016485689 766365259 /nfs/dbraw/zinc/36/52/59/766365259.db2.gz COGPGTWRWCUXTP-NRXISQOPSA-N 1 1 343.431 0.535 20 30 ECEDMO COC[C@@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)O2 ZINC001053588137 766381027 /nfs/dbraw/zinc/38/10/27/766381027.db2.gz PDJPPHPNGIPMEB-OCCSQVGLSA-N 1 1 332.404 0.884 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccn3nnnc13)O2 ZINC001053604583 766415775 /nfs/dbraw/zinc/41/57/75/766415775.db2.gz KEPJYHRMJAQZSK-CYBMUJFWSA-N 1 1 340.387 0.111 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc(C)nc1OC)O2 ZINC001053609476 766426398 /nfs/dbraw/zinc/42/63/98/766426398.db2.gz XFGMQJNTJXWTQC-AWEZNQCLSA-N 1 1 344.415 0.780 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3n[nH]cc3c1)O2 ZINC001053615395 766439428 /nfs/dbraw/zinc/43/94/28/766439428.db2.gz LGHVZIQKEWZPCH-OAHLLOKOSA-N 1 1 339.399 0.944 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cn4c(n3)CCC4)C2)C1=O ZINC001031681048 766449006 /nfs/dbraw/zinc/44/90/06/766449006.db2.gz YJHHSBNOTOCKRY-HNNXBMFYSA-N 1 1 343.431 0.278 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001045877037 766458071 /nfs/dbraw/zinc/45/80/71/766458071.db2.gz MZDWIHXCLQCVIJ-KGLIPLIRSA-N 1 1 344.415 0.811 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001045877037 766458076 /nfs/dbraw/zinc/45/80/76/766458076.db2.gz MZDWIHXCLQCVIJ-KGLIPLIRSA-N 1 1 344.415 0.811 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)nc1 ZINC001045880422 766462504 /nfs/dbraw/zinc/46/25/04/766462504.db2.gz UUNOKPNWDGDTCB-CABCVRRESA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC)nc1 ZINC001045880422 766462509 /nfs/dbraw/zinc/46/25/09/766462509.db2.gz UUNOKPNWDGDTCB-CABCVRRESA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ncnc3[nH]ccc31)O2 ZINC001053624410 766464116 /nfs/dbraw/zinc/46/41/16/766464116.db2.gz QQPWVNLBERMYFW-ZDUSSCGKSA-N 1 1 339.399 0.896 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@@H]12 ZINC000992398398 766478599 /nfs/dbraw/zinc/47/85/99/766478599.db2.gz QRFKMQGIIAAKNW-PIGZYNQJSA-N 1 1 346.387 0.647 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn3cccnc13)O2 ZINC001053635517 766486598 /nfs/dbraw/zinc/48/65/98/766486598.db2.gz FZPLUPHRVYAWEU-CQSZACIVSA-N 1 1 339.399 0.716 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001045930183 766501778 /nfs/dbraw/zinc/50/17/78/766501778.db2.gz KZLLFRULABXZNN-SFHVURJKSA-N 1 1 343.431 0.951 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001045939283 766511435 /nfs/dbraw/zinc/51/14/35/766511435.db2.gz AMKIPVBJOJUYLU-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001045939283 766511441 /nfs/dbraw/zinc/51/14/41/766511441.db2.gz AMKIPVBJOJUYLU-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNc1ccncc1C#N ZINC001053653590 766518170 /nfs/dbraw/zinc/51/81/70/766518170.db2.gz QMHQOEZNPJQJJC-FRFSOERESA-N 1 1 327.432 0.976 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001045948838 766519886 /nfs/dbraw/zinc/51/98/86/766519886.db2.gz STESQGDBVURRRN-GOSISDBHSA-N 1 1 345.447 0.310 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001045953559 766524410 /nfs/dbraw/zinc/52/44/10/766524410.db2.gz DUBBHBBZGZRCSW-GOSISDBHSA-N 1 1 345.447 0.310 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(=O)n1C)O2 ZINC001053658150 766527636 /nfs/dbraw/zinc/52/76/36/766527636.db2.gz RNLFICIXSPDXLZ-CQSZACIVSA-N 1 1 329.400 0.372 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC3(C[NH+](CCCO)C3)O2)c1 ZINC001053662471 766535155 /nfs/dbraw/zinc/53/51/55/766535155.db2.gz NTFYTZBIFJBSKY-MRXNPFEDSA-N 1 1 329.400 0.409 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC3(C[NH+](C[C@H](C)O)C3)O2)c1 ZINC001053662747 766535714 /nfs/dbraw/zinc/53/57/14/766535714.db2.gz VHGKKIWLWBLZDX-XJKSGUPXSA-N 1 1 329.400 0.407 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)O2 ZINC001053663243 766535873 /nfs/dbraw/zinc/53/58/73/766535873.db2.gz KJVXVEHQHQPEAN-SOUVJXGZSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cnnn1)C2 ZINC001045975335 766546486 /nfs/dbraw/zinc/54/64/86/766546486.db2.gz AJJPWJJCFCRFOU-QGZVFWFLSA-N 1 1 330.436 0.791 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)nn(C)c1OC)O2 ZINC001053671508 766552231 /nfs/dbraw/zinc/55/22/31/766552231.db2.gz GYHSJHFUFARHOG-AWEZNQCLSA-N 1 1 346.431 0.724 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncc(OC)n1)O2 ZINC001053673339 766554561 /nfs/dbraw/zinc/55/45/61/766554561.db2.gz AZFORFMUJYJPGY-CYBMUJFWSA-N 1 1 330.388 0.472 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@@H]12 ZINC000992432254 766555287 /nfs/dbraw/zinc/55/52/87/766555287.db2.gz PZBQYEZIMOBLOR-WBMJQRKESA-N 1 1 328.376 0.330 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC3(C[NH+](C[C@H](C)O)C3)O2)nn1 ZINC001053677007 766560410 /nfs/dbraw/zinc/56/04/10/766560410.db2.gz OTYSZUYWMWWKMM-UONOGXRCSA-N 1 1 349.435 0.198 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(N(C)C)nn1)O2 ZINC001053686472 766587534 /nfs/dbraw/zinc/58/75/34/766587534.db2.gz QOVGBXMWUXUXCQ-AWEZNQCLSA-N 1 1 343.431 0.529 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC001089280123 766626484 /nfs/dbraw/zinc/62/64/84/766626484.db2.gz KNPKEXPRDSZAHN-VXGBXAGGSA-N 1 1 331.420 0.928 20 30 ECEDMO Cc1ncoc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046012595 766639460 /nfs/dbraw/zinc/63/94/60/766639460.db2.gz PXTCWMXULPICQT-HIFRSBDPSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1ncoc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046012597 766640158 /nfs/dbraw/zinc/64/01/58/766640158.db2.gz PXTCWMXULPICQT-UKRRQHHQSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1cnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)cn1 ZINC001046013176 766640858 /nfs/dbraw/zinc/64/08/58/766640858.db2.gz UIKROKNIXZMGDZ-RHSMWYFYSA-N 1 1 342.447 0.663 20 30 ECEDMO Cc1cnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)cn1 ZINC001046013176 766640863 /nfs/dbraw/zinc/64/08/63/766640863.db2.gz UIKROKNIXZMGDZ-RHSMWYFYSA-N 1 1 342.447 0.663 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3cncn3C)C2)CC1 ZINC001046013430 766642591 /nfs/dbraw/zinc/64/25/91/766642591.db2.gz YENTYJRKXMMHNV-GJZGRUSLSA-N 1 1 330.436 0.298 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)C3CCN(C(N)=O)CC3)CCC[C@H]12 ZINC000992466725 766643551 /nfs/dbraw/zinc/64/35/51/766643551.db2.gz SLGGJXDBGGVEFW-YJBOKZPZSA-N 1 1 332.448 0.914 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 ZINC001046014493 766646425 /nfs/dbraw/zinc/64/64/25/766646425.db2.gz YDUYRCVOXVNHJE-IRXDYDNUSA-N 1 1 336.480 0.112 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3n[nH]c(C)c3C)CC2)C1 ZINC001046014302 766647010 /nfs/dbraw/zinc/64/70/10/766647010.db2.gz UOGLQVHLYDNSEI-INIZCTEOSA-N 1 1 329.448 0.882 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc(C)n[nH]3)CC2)C1 ZINC001046018888 766657921 /nfs/dbraw/zinc/65/79/21/766657921.db2.gz CIXNHRGIRVJRRN-QGZVFWFLSA-N 1 1 329.448 0.502 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cc3nc4ncccn4n3)CCC[C@H]12 ZINC000992473844 766659045 /nfs/dbraw/zinc/65/90/45/766659045.db2.gz GFGPAPDFWOVVPO-KSSFIOAISA-N 1 1 338.415 0.803 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnn3CC)CC2)C1 ZINC001046022705 766669655 /nfs/dbraw/zinc/66/96/55/766669655.db2.gz WMSYRTCTBHZDPN-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)ncn3)CC2)C1 ZINC001046023660 766673797 /nfs/dbraw/zinc/67/37/97/766673797.db2.gz UDRJUFRAOKBCGC-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC001046026891 766684368 /nfs/dbraw/zinc/68/43/68/766684368.db2.gz GURWPDOFVLZYJK-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@H]12 ZINC000992485385 766686499 /nfs/dbraw/zinc/68/64/99/766686499.db2.gz FWHGYQQMYODXAJ-YVEFUNNKSA-N 1 1 334.420 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC000994750869 766687801 /nfs/dbraw/zinc/68/78/01/766687801.db2.gz DMJIOTICPPENMQ-BBWFWOEESA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC000994750869 766687807 /nfs/dbraw/zinc/68/78/07/766687807.db2.gz DMJIOTICPPENMQ-BBWFWOEESA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@@H]12 ZINC000992486624 766690053 /nfs/dbraw/zinc/69/00/53/766690053.db2.gz HMFGAUCJTWOEGD-PXAZEXFGSA-N 1 1 332.404 0.063 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(CC)CCOCC2)C1 ZINC000994749870 766692869 /nfs/dbraw/zinc/69/28/69/766692869.db2.gz DWJIOEMSRBYVLU-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(CC)CCOCC2)C1 ZINC000994749870 766692874 /nfs/dbraw/zinc/69/28/74/766692874.db2.gz DWJIOEMSRBYVLU-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](O)C(C)C)CC2)C1 ZINC001046029442 766694192 /nfs/dbraw/zinc/69/41/92/766694192.db2.gz SXLIAFVEADQTFJ-HUUCEWRRSA-N 1 1 329.872 0.974 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](O)C(C)C)CC2)C1 ZINC001046029442 766694198 /nfs/dbraw/zinc/69/41/98/766694198.db2.gz SXLIAFVEADQTFJ-HUUCEWRRSA-N 1 1 329.872 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]cc2C2CC2)C1 ZINC000994751142 766696179 /nfs/dbraw/zinc/69/61/79/766696179.db2.gz NNROZKOIGRGQEQ-KRWDZBQOSA-N 1 1 340.427 0.930 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]cc2C2CC2)C1 ZINC000994751142 766696184 /nfs/dbraw/zinc/69/61/84/766696184.db2.gz NNROZKOIGRGQEQ-KRWDZBQOSA-N 1 1 340.427 0.930 20 30 ECEDMO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089625486 766698937 /nfs/dbraw/zinc/69/89/37/766698937.db2.gz WJCKHUMBEBCQLF-OCCSQVGLSA-N 1 1 332.408 0.010 20 30 ECEDMO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089625486 766698942 /nfs/dbraw/zinc/69/89/42/766698942.db2.gz WJCKHUMBEBCQLF-OCCSQVGLSA-N 1 1 332.408 0.010 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(F)nc2)C1 ZINC000994751978 766700100 /nfs/dbraw/zinc/70/01/00/766700100.db2.gz OOKVPYXDNSYGEQ-AWEZNQCLSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(F)nc2)C1 ZINC000994751978 766700105 /nfs/dbraw/zinc/70/01/05/766700105.db2.gz OOKVPYXDNSYGEQ-AWEZNQCLSA-N 1 1 330.363 0.259 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001046031257 766700926 /nfs/dbraw/zinc/70/09/26/766700926.db2.gz LLZVEYBSOLYOMW-BRWVUGGUSA-N 1 1 346.475 0.143 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)c3ccnn3C)CC2)C1 ZINC001046031761 766702311 /nfs/dbraw/zinc/70/23/11/766702311.db2.gz VJBLEBIHHDDWTO-CVEARBPZSA-N 1 1 331.464 0.928 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC001046032491 766706287 /nfs/dbraw/zinc/70/62/87/766706287.db2.gz DPLBLZWWIHTPCW-SFHVURJKSA-N 1 1 341.459 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000994754563 766706970 /nfs/dbraw/zinc/70/69/70/766706970.db2.gz MNVPUQLBULACTC-PMPSAXMXSA-N 1 1 331.416 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000994754563 766706982 /nfs/dbraw/zinc/70/69/82/766706982.db2.gz MNVPUQLBULACTC-PMPSAXMXSA-N 1 1 331.416 0.002 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CC)on2)C1 ZINC000994753288 766710029 /nfs/dbraw/zinc/71/00/29/766710029.db2.gz YAKPCMVONYKGJI-HNNXBMFYSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CC)on2)C1 ZINC000994753288 766710031 /nfs/dbraw/zinc/71/00/31/766710031.db2.gz YAKPCMVONYKGJI-HNNXBMFYSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC000994753512 766710835 /nfs/dbraw/zinc/71/08/35/766710835.db2.gz HMOSCCKTSFCSBA-HOCLYGCPSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC000994753512 766710839 /nfs/dbraw/zinc/71/08/39/766710839.db2.gz HMOSCCKTSFCSBA-HOCLYGCPSA-N 1 1 343.431 0.259 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2C)C1 ZINC001041997960 782574074 /nfs/dbraw/zinc/57/40/74/782574074.db2.gz AMWHYNWFHLPNOQ-XYPHTWIQSA-N 1 1 343.431 0.615 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2C)C1 ZINC001041997960 782574078 /nfs/dbraw/zinc/57/40/78/782574078.db2.gz AMWHYNWFHLPNOQ-XYPHTWIQSA-N 1 1 343.431 0.615 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc(C4CC4)nn3)CC2)C1 ZINC001046034991 766718316 /nfs/dbraw/zinc/71/83/16/766718316.db2.gz ALGFHEQYYJUDQC-MRXNPFEDSA-N 1 1 344.463 0.560 20 30 ECEDMO CCN(c1cc(C)ncc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089627266 766719295 /nfs/dbraw/zinc/71/92/95/766719295.db2.gz MTKFYTRKBUCKCU-RHSMWYFYSA-N 1 1 345.447 0.923 20 30 ECEDMO CCN(c1cc(C)ncc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089627266 766719300 /nfs/dbraw/zinc/71/93/00/766719300.db2.gz MTKFYTRKBUCKCU-RHSMWYFYSA-N 1 1 345.447 0.923 20 30 ECEDMO C=CCN1CC[C@H](N2CC(CNC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001031715712 766726390 /nfs/dbraw/zinc/72/63/90/766726390.db2.gz YNQXZBMMJHCSQY-SJORKVTESA-N 1 1 348.491 0.696 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC001046036449 766727054 /nfs/dbraw/zinc/72/70/54/766727054.db2.gz KLEKULXFIDHZCD-YJBOKZPZSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC001046036472 766727299 /nfs/dbraw/zinc/72/72/99/766727299.db2.gz LAODSRAFPUMUOG-APWZRJJASA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001046037149 766731566 /nfs/dbraw/zinc/73/15/66/766731566.db2.gz TVXIJGJFEBACAL-ULQDDVLXSA-N 1 1 335.448 0.032 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046037847 766737101 /nfs/dbraw/zinc/73/71/01/766737101.db2.gz ARXXUVCNQAYLHU-VQIMIIECSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)C1 ZINC001046039290 766742749 /nfs/dbraw/zinc/74/27/49/766742749.db2.gz OYQVUEIRQXRYBP-IAGOWNOFSA-N 1 1 341.459 0.297 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)C1 ZINC001046040229 766745649 /nfs/dbraw/zinc/74/56/49/766745649.db2.gz HHCAROBGSDWAIY-IRXDYDNUSA-N 1 1 343.475 0.850 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046040594 766747787 /nfs/dbraw/zinc/74/77/87/766747787.db2.gz FPRUFTRHFFCXIY-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC001046040549 766747959 /nfs/dbraw/zinc/74/79/59/766747959.db2.gz DSOUEYXSEGYWIO-QGZVFWFLSA-N 1 1 346.475 0.241 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046043639 766762531 /nfs/dbraw/zinc/76/25/31/766762531.db2.gz CADQIEBMKUPQMD-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC001046046740 766775237 /nfs/dbraw/zinc/77/52/37/766775237.db2.gz HWHIWOLEAWYXSV-OAHLLOKOSA-N 1 1 346.431 0.787 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001046047491 766778009 /nfs/dbraw/zinc/77/80/09/766778009.db2.gz RBVMVCDIAXLAPY-ZXXIGWHRSA-N 1 1 331.460 0.814 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046049980 766786456 /nfs/dbraw/zinc/78/64/56/766786456.db2.gz BJNXIGBXVUKLRC-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 ZINC001046051447 766791549 /nfs/dbraw/zinc/79/15/49/766791549.db2.gz HIXBIANUDFFSLR-CVEARBPZSA-N 1 1 349.479 0.195 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC001046051828 766793294 /nfs/dbraw/zinc/79/32/94/766793294.db2.gz PQDBEDZZCNNNLN-INIZCTEOSA-N 1 1 348.491 0.696 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)c3cncnc3)CC2)C1 ZINC001046054268 766799371 /nfs/dbraw/zinc/79/93/71/766799371.db2.gz KFTHURFUUBNVQU-WMZOPIPTSA-N 1 1 341.459 0.822 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)c3cncnc3)CC2)C1 ZINC001046054791 766801901 /nfs/dbraw/zinc/80/19/01/766801901.db2.gz QCGBPOWJOFDDGD-AEFFLSMTSA-N 1 1 341.459 0.822 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)CC2)C1 ZINC001046054652 766802309 /nfs/dbraw/zinc/80/23/09/766802309.db2.gz BKJWWMCQYIQFGE-IRXDYDNUSA-N 1 1 346.475 0.238 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046055095 766803720 /nfs/dbraw/zinc/80/37/20/766803720.db2.gz NQQQCZXKSQJCMC-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)CC2)C1 ZINC001046057229 766813265 /nfs/dbraw/zinc/81/32/65/766813265.db2.gz XKKOACBDGWBINN-SJORKVTESA-N 1 1 348.491 0.790 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)nc(OC)c3)CC2)C1 ZINC001046058760 766819799 /nfs/dbraw/zinc/81/97/99/766819799.db2.gz SIAGFPIJPPWJNT-QGZVFWFLSA-N 1 1 342.443 0.864 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046059015 766820072 /nfs/dbraw/zinc/82/00/72/766820072.db2.gz XIRVYAXTWSVTFI-HNNXBMFYSA-N 1 1 334.464 0.437 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN([C@H]3CC[N@H+](CC#CC)C3)CC2)c1 ZINC001046060969 766828575 /nfs/dbraw/zinc/82/85/75/766828575.db2.gz GRMRGKUMGRBDQU-IBGZPJMESA-N 1 1 336.439 0.918 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC001046064068 766841025 /nfs/dbraw/zinc/84/10/25/766841025.db2.gz DVEKLVKRZSBKFT-BBWFWOEESA-N 1 1 348.491 0.505 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cccnc3C)CC2)C1 ZINC001046064088 766841388 /nfs/dbraw/zinc/84/13/88/766841388.db2.gz FIZSVQQDBSOCFJ-GOSISDBHSA-N 1 1 326.444 0.784 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)C1 ZINC001046066213 766852992 /nfs/dbraw/zinc/85/29/92/766852992.db2.gz ALACXDOHFVQVNL-HNNXBMFYSA-N 1 1 327.432 0.752 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC001046068686 766864299 /nfs/dbraw/zinc/86/42/99/766864299.db2.gz QQMLVUNOLDOQDU-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046069090 766865725 /nfs/dbraw/zinc/86/57/25/766865725.db2.gz ATTJFXSPTFBRDK-ULQDDVLXSA-N 1 1 337.464 0.178 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)C1 ZINC001046070218 766871031 /nfs/dbraw/zinc/87/10/31/766871031.db2.gz NFXNHFUDDWDCQY-MRXNPFEDSA-N 1 1 339.443 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4ccccc34)CC2)C1 ZINC001046070969 766876097 /nfs/dbraw/zinc/87/60/97/766876097.db2.gz DBUIIQPDCZALCT-MRXNPFEDSA-N 1 1 337.427 0.800 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](CCF)C3)CC2)cn1 ZINC001046074501 766892534 /nfs/dbraw/zinc/89/25/34/766892534.db2.gz AGXZDZBVCNTVDU-QGZVFWFLSA-N 1 1 330.407 0.865 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3nonc3C)CC2)C1 ZINC001046074910 766893369 /nfs/dbraw/zinc/89/33/69/766893369.db2.gz KTOJRMAJWHNCIB-OAHLLOKOSA-N 1 1 331.420 0.162 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnn(CC)c3)CC2)C1 ZINC001046077123 766905917 /nfs/dbraw/zinc/90/59/17/766905917.db2.gz KGTGVBDXLOIIGY-QGZVFWFLSA-N 1 1 329.448 0.297 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ccnc3C)CC2)C1 ZINC001046083981 766923699 /nfs/dbraw/zinc/92/36/99/766923699.db2.gz GJJFWOHVLKFHBT-KRWDZBQOSA-N 1 1 331.464 0.986 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccnc3C)CC2)C1 ZINC001046084266 766924233 /nfs/dbraw/zinc/92/42/33/766924233.db2.gz OOKNRQWLDVVQFK-QGZVFWFLSA-N 1 1 331.464 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)N3CCCC3=O)CC2)C1 ZINC001046085177 766926352 /nfs/dbraw/zinc/92/63/52/766926352.db2.gz DRODLZCTTVNYNY-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(N)=O)cs3)CC2)C1 ZINC001046086530 766928661 /nfs/dbraw/zinc/92/86/61/766928661.db2.gz WFZFGIBQCHCQLG-AWEZNQCLSA-N 1 1 346.456 0.312 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC001046087461 766930106 /nfs/dbraw/zinc/93/01/06/766930106.db2.gz RUWXIZKSRPYWKG-ZWKOTPCHSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC34CCOCC4)CC2)C1 ZINC001046089821 766931976 /nfs/dbraw/zinc/93/19/76/766931976.db2.gz JKAOFVCJUCEFBI-IRXDYDNUSA-N 1 1 331.460 0.655 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001089667456 766964117 /nfs/dbraw/zinc/96/41/17/766964117.db2.gz HZUSUMJBYHCOQO-AWEZNQCLSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(CC)s2)C1 ZINC001031740841 766986992 /nfs/dbraw/zinc/98/69/92/766986992.db2.gz LSSRWLYWBJTDIA-AWEZNQCLSA-N 1 1 347.488 0.746 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(CC)s2)C1 ZINC001031740841 766986999 /nfs/dbraw/zinc/98/69/99/766986999.db2.gz LSSRWLYWBJTDIA-AWEZNQCLSA-N 1 1 347.488 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(C)ncn2)C1 ZINC001031740846 766987173 /nfs/dbraw/zinc/98/71/73/766987173.db2.gz MAKSKAYHERTXMZ-KRWDZBQOSA-N 1 1 327.432 0.431 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(C)ncn2)C1 ZINC001031740846 766987177 /nfs/dbraw/zinc/98/71/77/766987177.db2.gz MAKSKAYHERTXMZ-KRWDZBQOSA-N 1 1 327.432 0.431 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)CO2 ZINC001053865121 767069626 /nfs/dbraw/zinc/06/96/26/767069626.db2.gz RHFKVXHZJVTHGI-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cn(C)cn3)C2)C1=O ZINC001046240344 767104288 /nfs/dbraw/zinc/10/42/88/767104288.db2.gz ABBLBXJIECFJGU-RHSMWYFYSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cn(C)cn3)C2)C1=O ZINC001046240344 767104291 /nfs/dbraw/zinc/10/42/91/767104291.db2.gz ABBLBXJIECFJGU-RHSMWYFYSA-N 1 1 331.420 0.401 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC000938755868 767106728 /nfs/dbraw/zinc/10/67/28/767106728.db2.gz AVWDASGUOJXMDI-HOTGVXAUSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC000938755868 767106729 /nfs/dbraw/zinc/10/67/29/767106729.db2.gz AVWDASGUOJXMDI-HOTGVXAUSA-N 1 1 343.431 0.109 20 30 ECEDMO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001046248346 767107369 /nfs/dbraw/zinc/10/73/69/767107369.db2.gz OFHXOPKDKVVUJI-NVXWUHKLSA-N 1 1 342.403 0.338 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccnn3CC)C2)C1=O ZINC001046265102 767117282 /nfs/dbraw/zinc/11/72/82/767117282.db2.gz RUORQLOAJCTFHL-YJBOKZPZSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccnn3CC)C2)C1=O ZINC001046265102 767117283 /nfs/dbraw/zinc/11/72/83/767117283.db2.gz RUORQLOAJCTFHL-YJBOKZPZSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC000938821484 767120952 /nfs/dbraw/zinc/12/09/52/767120952.db2.gz MZOSYKSEVQUBAU-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046289353 767129882 /nfs/dbraw/zinc/12/98/82/767129882.db2.gz UQWGLELLCSSWGW-RHSMWYFYSA-N 1 1 328.372 0.747 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001089731456 767134410 /nfs/dbraw/zinc/13/44/10/767134410.db2.gz QOCYBXOCEYFQLD-CYBMUJFWSA-N 1 1 346.431 0.730 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001089732523 767136104 /nfs/dbraw/zinc/13/61/04/767136104.db2.gz VMVHXBKUAOUVHK-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cncn1 ZINC001089763925 767147700 /nfs/dbraw/zinc/14/77/00/767147700.db2.gz LPFITWOHXGAEIA-HZMVEIRTSA-N 1 1 327.432 0.860 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC(=O)N3)C2)c1 ZINC001031755557 767155826 /nfs/dbraw/zinc/15/58/26/767155826.db2.gz LSAWYLRSJQQVDQ-MRXNPFEDSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001046374672 767178776 /nfs/dbraw/zinc/17/87/76/767178776.db2.gz IZJLPDSGRDZLGM-KRWDZBQOSA-N 1 1 327.388 0.891 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001212316475 767207195 /nfs/dbraw/zinc/20/71/95/767207195.db2.gz QQWXPKFCGWHFDJ-NWANDNLSSA-N 1 1 333.388 0.237 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001212316475 767207197 /nfs/dbraw/zinc/20/71/97/767207197.db2.gz QQWXPKFCGWHFDJ-NWANDNLSSA-N 1 1 333.388 0.237 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000994897998 767208489 /nfs/dbraw/zinc/20/84/89/767208489.db2.gz ZWJHNEPYCSNRRA-JQWIXIFHSA-N 1 1 328.380 0.098 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(=O)n(C)o2)C1 ZINC001089798839 767223320 /nfs/dbraw/zinc/22/33/20/767223320.db2.gz ZNTJFIPMNSBLRL-AJNGGQMLSA-N 1 1 329.400 0.784 20 30 ECEDMO Cn1nnnc1C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805102 767233117 /nfs/dbraw/zinc/23/31/17/767233117.db2.gz AGZMFDPZTQREPP-FZKCQIBNSA-N 1 1 340.431 0.292 20 30 ECEDMO Cn1nnnc1C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805102 767233118 /nfs/dbraw/zinc/23/31/18/767233118.db2.gz AGZMFDPZTQREPP-FZKCQIBNSA-N 1 1 340.431 0.292 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001046451141 767234656 /nfs/dbraw/zinc/23/46/56/767234656.db2.gz HNPOQXWUOQLIER-KRWDZBQOSA-N 1 1 328.372 0.630 20 30 ECEDMO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C#CC3CC3)C2)nn1 ZINC001089808025 767236491 /nfs/dbraw/zinc/23/64/91/767236491.db2.gz FQLHTEQZBFYPJW-DKIMLUQUSA-N 1 1 339.443 0.897 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cnc3sccn3c2=O)C1 ZINC001046461079 767240573 /nfs/dbraw/zinc/24/05/73/767240573.db2.gz QXACHXFVAUTRNV-INIZCTEOSA-N 1 1 330.413 0.974 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001046467434 767243698 /nfs/dbraw/zinc/24/36/98/767243698.db2.gz GWBGLERWQODSCO-GOSISDBHSA-N 1 1 329.400 0.768 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@](O)(CNC(=O)CC[N@H+](C)CC)C2)C1 ZINC001040901443 767249257 /nfs/dbraw/zinc/24/92/57/767249257.db2.gz JNXUCBIAZNVZKK-SFHVURJKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(C)C)CO2 ZINC001053899515 767288035 /nfs/dbraw/zinc/28/80/35/767288035.db2.gz OVLODJNFKMWNND-CABCVRRESA-N 1 1 335.448 0.921 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046540556 767290882 /nfs/dbraw/zinc/29/08/82/767290882.db2.gz XMDIAUAXQJXFAJ-APWZRJJASA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046540556 767290884 /nfs/dbraw/zinc/29/08/84/767290884.db2.gz XMDIAUAXQJXFAJ-APWZRJJASA-N 1 1 325.412 0.755 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001046556080 767301407 /nfs/dbraw/zinc/30/14/07/767301407.db2.gz CTLHSMANMCEDPA-JSEZXORMSA-N 1 1 333.432 0.246 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908052 767327366 /nfs/dbraw/zinc/32/73/66/767327366.db2.gz JMJYIMATBFTATH-JKSUJKDBSA-N 1 1 342.443 0.737 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nnn(C)c3C1)CO2 ZINC001053908490 767329530 /nfs/dbraw/zinc/32/95/30/767329530.db2.gz UTARDSTTXNJKBF-ZIAGYGMSSA-N 1 1 345.447 0.456 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)c1 ZINC001053918812 767356860 /nfs/dbraw/zinc/35/68/60/767356860.db2.gz WIKZFDZTJRZUOX-WBVHZDCISA-N 1 1 341.411 0.673 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CS(=O)(=O)C1 ZINC001089827900 767361176 /nfs/dbraw/zinc/36/11/76/767361176.db2.gz PVFIWEYDIOXQMO-FZKCQIBNSA-N 1 1 338.473 0.776 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1COC3(CN(CC#N)C3)C1)C2 ZINC001053923935 767369769 /nfs/dbraw/zinc/36/97/69/767369769.db2.gz GOXATTQFQRTRIJ-UONOGXRCSA-N 1 1 329.404 0.237 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H]2COC3(CN(CC#N)C3)C2)C1 ZINC001053925378 767378053 /nfs/dbraw/zinc/37/80/53/767378053.db2.gz JQHIURORAXQPLB-CXAGYDPISA-N 1 1 338.427 0.682 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCCNC2=O)C1 ZINC001089832048 767396157 /nfs/dbraw/zinc/39/61/57/767396157.db2.gz RFAUZDBCJBVZKQ-VGWMRTNUSA-N 1 1 330.432 0.204 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(=O)n(C)c1 ZINC001089832609 767398000 /nfs/dbraw/zinc/39/80/00/767398000.db2.gz WKUDVPFWNTZZOP-SVGFKBNWSA-N 1 1 325.412 0.801 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCS(=O)(=O)CC1)CO2 ZINC001053944536 767418586 /nfs/dbraw/zinc/41/85/86/767418586.db2.gz YBMLMPVMIWYHQZ-CQSZACIVSA-N 1 1 342.461 0.347 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001046671962 767452759 /nfs/dbraw/zinc/45/27/59/767452759.db2.gz OBWVOOQVHBBKGS-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046672674 767454781 /nfs/dbraw/zinc/45/47/81/767454781.db2.gz YFTDSLVWYKAKHY-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO Cc1nsc(NC[C@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)c1C#N ZINC001106165226 767462157 /nfs/dbraw/zinc/46/21/57/767462157.db2.gz HJFVNVGOFIWXAA-DGCLKSJQSA-N 1 1 337.449 0.697 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC)C2)cc1 ZINC001046680067 767467843 /nfs/dbraw/zinc/46/78/43/767467843.db2.gz WNODSAYYQTVKDT-GOSISDBHSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC)C2)cc1 ZINC001046680067 767467847 /nfs/dbraw/zinc/46/78/47/767467847.db2.gz WNODSAYYQTVKDT-GOSISDBHSA-N 1 1 329.400 0.639 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001046682302 767472369 /nfs/dbraw/zinc/47/23/69/767472369.db2.gz YOFFNBRRQKABJB-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001046682302 767472374 /nfs/dbraw/zinc/47/23/74/767472374.db2.gz YOFFNBRRQKABJB-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001046682300 767472580 /nfs/dbraw/zinc/47/25/80/767472580.db2.gz YOFFNBRRQKABJB-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001046682300 767472584 /nfs/dbraw/zinc/47/25/84/767472584.db2.gz YOFFNBRRQKABJB-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)CO2 ZINC001053965746 767477118 /nfs/dbraw/zinc/47/71/18/767477118.db2.gz AJBBNTIEYZBMJG-LBPRGKRZSA-N 1 1 348.403 0.274 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046691445 767490931 /nfs/dbraw/zinc/49/09/31/767490931.db2.gz IVXLOGISHYATSV-HOCLYGCPSA-N 1 1 349.475 0.642 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046692255 767493159 /nfs/dbraw/zinc/49/31/59/767493159.db2.gz SJLNJDXGIZXTHR-CABCVRRESA-N 1 1 335.448 0.067 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001017056703 767524753 /nfs/dbraw/zinc/52/47/53/767524753.db2.gz QLFUCICWTRBSGO-FJBKBRRZSA-N 1 1 346.431 0.888 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)CO2 ZINC001053987108 767538723 /nfs/dbraw/zinc/53/87/23/767538723.db2.gz HGBOAPAWXOYREP-HOTGVXAUSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001046740349 767569220 /nfs/dbraw/zinc/56/92/20/767569220.db2.gz RXSXPLDQILYWCT-RHSMWYFYSA-N 1 1 331.420 0.532 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3oncc3C)C2)C1=O ZINC001046745616 767579220 /nfs/dbraw/zinc/57/92/20/767579220.db2.gz POOJHCSWILCHNO-DYVFJYSZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3oncc3C)C2)C1=O ZINC001046745616 767579226 /nfs/dbraw/zinc/57/92/26/767579226.db2.gz POOJHCSWILCHNO-DYVFJYSZSA-N 1 1 332.404 0.964 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@H]1CCCNC1=O ZINC001017106657 767595677 /nfs/dbraw/zinc/59/56/77/767595677.db2.gz JSRQWVUDHLNFOM-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001054061426 767659832 /nfs/dbraw/zinc/65/98/32/767659832.db2.gz ZPLIGYXOIPXYRZ-JKSUJKDBSA-N 1 1 349.456 0.407 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001054061426 767659838 /nfs/dbraw/zinc/65/98/38/767659838.db2.gz ZPLIGYXOIPXYRZ-JKSUJKDBSA-N 1 1 349.456 0.407 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001060476516 767689741 /nfs/dbraw/zinc/68/97/41/767689741.db2.gz XFQHBBSTWKWUPX-DOCVPZNWSA-N 1 1 326.404 0.097 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)c1 ZINC001054111929 767701614 /nfs/dbraw/zinc/70/16/14/767701614.db2.gz FECDYXFDERUTDR-MAUKXSAKSA-N 1 1 341.415 0.703 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001054111896 767701645 /nfs/dbraw/zinc/70/16/45/767701645.db2.gz DEOIAKJLTHXPDW-PXAZEXFGSA-N 1 1 329.404 0.688 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001054130525 767724883 /nfs/dbraw/zinc/72/48/83/767724883.db2.gz RNDPQHHQVKXUHW-DNVCBOLYSA-N 1 1 343.427 0.520 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001054138281 767732691 /nfs/dbraw/zinc/73/26/91/767732691.db2.gz NFHKXYZCYRAWCC-MRXNPFEDSA-N 1 1 326.462 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCOCC1=O)C2 ZINC001054146885 767742571 /nfs/dbraw/zinc/74/25/71/767742571.db2.gz TYSZCGAMAOSIIM-GOSISDBHSA-N 1 1 335.448 0.736 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCN1C(=O)CCC1=O)C2 ZINC001054161473 767759338 /nfs/dbraw/zinc/75/93/38/767759338.db2.gz GQLSZIIEZHBPBE-IBGZPJMESA-N 1 1 345.443 0.863 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(N)=O)C2 ZINC001054226555 767834631 /nfs/dbraw/zinc/83/46/31/767834631.db2.gz SLKPDEVBWFQJOR-YJBOKZPZSA-N 1 1 332.448 0.867 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001054235034 767844213 /nfs/dbraw/zinc/84/42/13/767844213.db2.gz OCEATPNOTXWKFL-AEFFLSMTSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001054237122 767847236 /nfs/dbraw/zinc/84/72/36/767847236.db2.gz VEWHVILUNCCAFU-QGZVFWFLSA-N 1 1 334.420 0.429 20 30 ECEDMO CCCc1cc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)n[nH]1 ZINC001106505440 768383124 /nfs/dbraw/zinc/38/31/24/768383124.db2.gz UEYFHNSUVWASRX-CHWSQXEVSA-N 1 1 346.435 0.300 20 30 ECEDMO C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C[C@H]1C ZINC001106621589 768519886 /nfs/dbraw/zinc/51/98/86/768519886.db2.gz SUPOMQRVUKVZOP-UNEWFSDZSA-N 1 1 347.463 0.717 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1ccc(C#N)nn1 ZINC001106627601 768526897 /nfs/dbraw/zinc/52/68/97/768526897.db2.gz IXKJVHLECOJGES-ZFWWWQNUSA-N 1 1 326.404 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1ccc(C#N)nn1 ZINC001106627601 768526901 /nfs/dbraw/zinc/52/69/01/768526901.db2.gz IXKJVHLECOJGES-ZFWWWQNUSA-N 1 1 326.404 0.753 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1C ZINC001106693072 768606148 /nfs/dbraw/zinc/60/61/48/768606148.db2.gz OLFLTTNWCLMKKK-TZMCWYRMSA-N 1 1 345.447 0.887 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CCN1CCNC1=O ZINC000993236394 768630248 /nfs/dbraw/zinc/63/02/48/768630248.db2.gz PWTKHFBJCSDDOG-JSGCOSHPSA-N 1 1 344.419 0.494 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001055313269 768768635 /nfs/dbraw/zinc/76/86/35/768768635.db2.gz JHFIARAMKMEXSI-DAYGRLMNSA-N 1 1 337.464 0.572 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001055338295 768794948 /nfs/dbraw/zinc/79/49/48/768794948.db2.gz RFPHXVMUYOMDRJ-ZACQAIPSSA-N 1 1 349.475 0.673 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001055379522 768836884 /nfs/dbraw/zinc/83/68/84/768836884.db2.gz GBMJXUGWEVYPDV-YESZJQIVSA-N 1 1 349.475 0.980 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001106773229 768913840 /nfs/dbraw/zinc/91/38/40/768913840.db2.gz MPMSGDMOMLKRKV-INIZCTEOSA-N 1 1 331.420 0.356 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001106773229 768913845 /nfs/dbraw/zinc/91/38/45/768913845.db2.gz MPMSGDMOMLKRKV-INIZCTEOSA-N 1 1 331.420 0.356 20 30 ECEDMO CC(C)(F)C(=O)NCC[NH+]1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001055491656 768931224 /nfs/dbraw/zinc/93/12/24/768931224.db2.gz UYMNEOQHCSUVTJ-UHFFFAOYSA-N 1 1 349.410 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)[C@@H]1C ZINC000993395319 768952066 /nfs/dbraw/zinc/95/20/66/768952066.db2.gz MJMDJYXPQIIXMS-XJKSGUPXSA-N 1 1 329.400 0.767 20 30 ECEDMO C[C@H](C[C@@H](C)Nc1nccnc1C#N)NC(=O)CC[NH+]1CCOCC1 ZINC001089353592 769014459 /nfs/dbraw/zinc/01/44/59/769014459.db2.gz BORKZECNPZELFC-ZIAGYGMSSA-N 1 1 346.435 0.766 20 30 ECEDMO C[C@H](C[C@@H](C)Nc1ccncc1C#N)NC(=O)CC[NH+]1CCOCC1 ZINC001089354940 769079290 /nfs/dbraw/zinc/07/92/90/769079290.db2.gz MZRSECGKWWNEMD-HUUCEWRRSA-N 1 1 345.447 0.793 20 30 ECEDMO C#CCCCC(=O)NCCN1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055567064 769130198 /nfs/dbraw/zinc/13/01/98/769130198.db2.gz VXQNFROLYCZMAO-KRWDZBQOSA-N 1 1 348.491 0.581 20 30 ECEDMO C#CCCCC(=O)NCCN1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055567064 769130205 /nfs/dbraw/zinc/13/02/05/769130205.db2.gz VXQNFROLYCZMAO-KRWDZBQOSA-N 1 1 348.491 0.581 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2ncccn2)CC1 ZINC001055573250 769152482 /nfs/dbraw/zinc/15/24/82/769152482.db2.gz UEXSCZMBAPXEHS-UHFFFAOYSA-N 1 1 343.431 0.446 20 30 ECEDMO Cc1cnoc1C(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055575134 769160858 /nfs/dbraw/zinc/16/08/58/769160858.db2.gz OBVXYBRINZXMOE-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)CSC)C2)CC1 ZINC001018353269 769167542 /nfs/dbraw/zinc/16/75/42/769167542.db2.gz CGXVMGSLULQSMU-OAHLLOKOSA-N 1 1 337.489 0.756 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C ZINC000993503091 769184970 /nfs/dbraw/zinc/18/49/70/769184970.db2.gz AWXCADSFMLDRHP-HOTGVXAUSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2nonc2C)CC1 ZINC001055595741 769211589 /nfs/dbraw/zinc/21/15/89/769211589.db2.gz DGMKPEZCZUXOKA-UHFFFAOYSA-N 1 1 347.419 0.492 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)N3CCOCC3)C2)nn1 ZINC001098795682 769237752 /nfs/dbraw/zinc/23/77/52/769237752.db2.gz CTRARAWRXWKCCR-HOCLYGCPSA-N 1 1 348.451 0.048 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622033 769275747 /nfs/dbraw/zinc/27/57/47/769275747.db2.gz AGHMGWUGVIDREX-UHFFFAOYSA-N 1 1 333.392 0.184 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2ccncn2)CC1 ZINC001055622796 769281766 /nfs/dbraw/zinc/28/17/66/769281766.db2.gz ZTBGOUYNJOSQQK-UHFFFAOYSA-N 1 1 343.431 0.446 20 30 ECEDMO Cc1nc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)c(C)o1 ZINC001055623322 769283894 /nfs/dbraw/zinc/28/38/94/769283894.db2.gz CIBGKGUJYHNNFN-LLVKDONJSA-N 1 1 347.419 0.762 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001055630922 769302533 /nfs/dbraw/zinc/30/25/33/769302533.db2.gz AIPHRJKUAVMVRF-CQSZACIVSA-N 1 1 337.468 0.185 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001055632542 769309685 /nfs/dbraw/zinc/30/96/85/769309685.db2.gz XTCJMVVRILZCGB-AWEZNQCLSA-N 1 1 349.479 0.185 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000993567676 769329853 /nfs/dbraw/zinc/32/98/53/769329853.db2.gz NAWWRMUTCODLQQ-GHMZBOCLSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000993567676 769329861 /nfs/dbraw/zinc/32/98/61/769329861.db2.gz NAWWRMUTCODLQQ-GHMZBOCLSA-N 1 1 325.390 0.143 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)[C@H]2C)c1 ZINC000993774785 769600012 /nfs/dbraw/zinc/60/00/12/769600012.db2.gz UFGWOLJZUZZZHS-YOEHRIQHSA-N 1 1 338.415 0.937 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc3n2CCCC3)C1 ZINC001078357849 782765418 /nfs/dbraw/zinc/76/54/18/782765418.db2.gz CYLKQEGHBJPSRC-KBPBESRZSA-N 1 1 346.435 0.481 20 30 ECEDMO CCCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078358059 782766647 /nfs/dbraw/zinc/76/66/47/782766647.db2.gz ILXQZVQXDNYORJ-KBPBESRZSA-N 1 1 334.424 0.555 20 30 ECEDMO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCS(N)(=O)=O)C2 ZINC001111528199 769661156 /nfs/dbraw/zinc/66/11/56/769661156.db2.gz VRCUANMSMNCYAU-KFWWJZLASA-N 1 1 341.477 0.580 20 30 ECEDMO CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1 ZINC001078358545 782769044 /nfs/dbraw/zinc/76/90/44/782769044.db2.gz RJKIWZXJDDUTGQ-GXTWGEPZSA-N 1 1 334.424 0.473 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000993837619 769728768 /nfs/dbraw/zinc/72/87/68/769728768.db2.gz VRZWDXFZIVTNOZ-XJKCOSOUSA-N 1 1 343.431 0.805 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)[nH]1 ZINC001018731300 769819951 /nfs/dbraw/zinc/81/99/51/769819951.db2.gz UOKOEUPRIUIFRM-LBPRGKRZSA-N 1 1 341.375 0.012 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000993929172 769837985 /nfs/dbraw/zinc/83/79/85/769837985.db2.gz HRLMHVZYSXILHD-ZDUSSCGKSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001055823702 769859225 /nfs/dbraw/zinc/85/92/25/769859225.db2.gz IHZLBIQFKBYYBA-MAUKXSAKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001055826169 769870311 /nfs/dbraw/zinc/87/03/11/769870311.db2.gz YABSQSOITNVRBH-KRWDZBQOSA-N 1 1 334.420 0.627 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC000993915273 769874273 /nfs/dbraw/zinc/87/42/73/769874273.db2.gz JDJLZNJNWCIDHL-HIFRSBDPSA-N 1 1 348.447 0.633 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001018865868 770135414 /nfs/dbraw/zinc/13/54/14/770135414.db2.gz UVUSWHSGPICVMR-CFVMTHIKSA-N 1 1 346.435 0.680 20 30 ECEDMO N#Cc1nccc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)n1 ZINC001055912387 770188936 /nfs/dbraw/zinc/18/89/36/770188936.db2.gz HZBJPBDWNSLPBM-HUUCEWRRSA-N 1 1 340.431 0.871 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 ZINC001018913514 770263608 /nfs/dbraw/zinc/26/36/08/770263608.db2.gz DIUNOAICIXRBKT-AWEZNQCLSA-N 1 1 341.415 0.513 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C ZINC000994214581 770319431 /nfs/dbraw/zinc/31/94/31/770319431.db2.gz UWVSTGVKBJMFJX-ZIAGYGMSSA-N 1 1 336.436 0.816 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001106859165 770345112 /nfs/dbraw/zinc/34/51/12/770345112.db2.gz OZHNASGKLNYHHR-HUUCEWRRSA-N 1 1 342.447 0.905 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001018959149 770394214 /nfs/dbraw/zinc/39/42/14/770394214.db2.gz MJXFRPRRDFDIFL-WBMJQRKESA-N 1 1 344.390 0.914 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](CC(C)C)C(N)=O)C2)nn1 ZINC001098797292 770405777 /nfs/dbraw/zinc/40/57/77/770405777.db2.gz QOGHTDAAKDCZRP-CABCVRRESA-N 1 1 348.451 0.475 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]21 ZINC001042141955 782843727 /nfs/dbraw/zinc/84/37/27/782843727.db2.gz ITZOIYGERWKLOM-DOTOQJQBSA-N 1 1 344.459 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]21 ZINC001042141955 782843738 /nfs/dbraw/zinc/84/37/38/782843738.db2.gz ITZOIYGERWKLOM-DOTOQJQBSA-N 1 1 344.459 0.931 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056014653 770554865 /nfs/dbraw/zinc/55/48/65/770554865.db2.gz VHMQZKXOGGCAQJ-GOSISDBHSA-N 1 1 344.415 0.075 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019011383 770562974 /nfs/dbraw/zinc/56/29/74/770562974.db2.gz JBZFCZWMKIUJCC-ZBFHGGJFSA-N 1 1 329.444 0.658 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(c3cc(C)[nH+]c(C)n3)CC2)nn1 ZINC001056043958 770655254 /nfs/dbraw/zinc/65/52/54/770655254.db2.gz SXPLWOFKWFHDPJ-UHFFFAOYSA-N 1 1 327.392 0.833 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001056060806 770710166 /nfs/dbraw/zinc/71/01/66/770710166.db2.gz PCNAMVCPISHXJD-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncnc(CC)c2F)CC1 ZINC001056067322 770731382 /nfs/dbraw/zinc/73/13/82/770731382.db2.gz FGUIKISBYSWRJN-HNNXBMFYSA-N 1 1 345.422 0.924 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncnc(CC)c2F)CC1 ZINC001056067322 770731384 /nfs/dbraw/zinc/73/13/84/770731384.db2.gz FGUIKISBYSWRJN-HNNXBMFYSA-N 1 1 345.422 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(Cl)c(=O)[nH]n2)CC1 ZINC001056067842 770733847 /nfs/dbraw/zinc/73/38/47/770733847.db2.gz XYGFBZWQBYPYSJ-ZDUSSCGKSA-N 1 1 349.822 0.582 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(Cl)c(=O)[nH]n2)CC1 ZINC001056067842 770733854 /nfs/dbraw/zinc/73/38/54/770733854.db2.gz XYGFBZWQBYPYSJ-ZDUSSCGKSA-N 1 1 349.822 0.582 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[N@H+](C)CC ZINC001078396873 782865037 /nfs/dbraw/zinc/86/50/37/782865037.db2.gz IJILGOCPINQSBS-ZNMIVQPWSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001056084903 770794729 /nfs/dbraw/zinc/79/47/29/770794729.db2.gz BALWEIRLVLEZFZ-YJBOKZPZSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)C[C@H]21 ZINC001042159913 782871842 /nfs/dbraw/zinc/87/18/42/782871842.db2.gz IAEWIDUPMBTVCX-WMLDXEAASA-N 1 1 336.399 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC2(F)F)C1 ZINC000994466866 770858273 /nfs/dbraw/zinc/85/82/73/770858273.db2.gz ZBYWLILUKMALQJ-STQMWFEESA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC2(F)F)C1 ZINC000994466866 770858284 /nfs/dbraw/zinc/85/82/84/770858284.db2.gz ZBYWLILUKMALQJ-STQMWFEESA-N 1 1 325.359 0.456 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1C ZINC000994482077 770883151 /nfs/dbraw/zinc/88/31/51/770883151.db2.gz DKJGHPLMCAKFPG-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C ZINC000994486442 770891374 /nfs/dbraw/zinc/89/13/74/770891374.db2.gz LFMRJJPHNBCYLG-QWHCGFSZSA-N 1 1 334.424 0.312 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@@H]2O)CC1 ZINC001083754616 770915933 /nfs/dbraw/zinc/91/59/33/770915933.db2.gz ZXBBQRBPEVHCLC-SJORKVTESA-N 1 1 347.463 0.803 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@@H]2O)CC1 ZINC001083754616 770915940 /nfs/dbraw/zinc/91/59/40/770915940.db2.gz ZXBBQRBPEVHCLC-SJORKVTESA-N 1 1 347.463 0.803 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 ZINC001042163740 782879481 /nfs/dbraw/zinc/87/94/81/782879481.db2.gz ZBBSNZYNETXRQH-JKSUJKDBSA-N 1 1 347.463 0.861 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001056149652 770937586 /nfs/dbraw/zinc/93/75/86/770937586.db2.gz NDNQSJFYJIEUAF-QXSJWSMHSA-N 1 1 325.416 0.907 20 30 ECEDMO Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001056182745 771003599 /nfs/dbraw/zinc/00/35/99/771003599.db2.gz RFMGHJFLHNNYIA-RFQIPJPRSA-N 1 1 347.444 0.205 20 30 ECEDMO Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001056182745 771003607 /nfs/dbraw/zinc/00/36/07/771003607.db2.gz RFMGHJFLHNNYIA-RFQIPJPRSA-N 1 1 347.444 0.205 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001056228197 771021066 /nfs/dbraw/zinc/02/10/66/771021066.db2.gz OZEHFLDPOTXGTK-WCVJEAGWSA-N 1 1 325.416 0.764 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC(C)(C)C1 ZINC001089389259 771023639 /nfs/dbraw/zinc/02/36/39/771023639.db2.gz NGJBYQJCOIGZMO-LBPRGKRZSA-N 1 1 334.424 0.170 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)CC(C)(C)C1 ZINC001089396888 771042816 /nfs/dbraw/zinc/04/28/16/771042816.db2.gz JHQXPUHWGIYUJU-AWEZNQCLSA-N 1 1 326.462 0.661 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)CC(C)(C)C1 ZINC001089396888 771042820 /nfs/dbraw/zinc/04/28/20/771042820.db2.gz JHQXPUHWGIYUJU-AWEZNQCLSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@@H]2CCOC2)[C@H](C)C1 ZINC000994549642 771079958 /nfs/dbraw/zinc/07/99/58/771079958.db2.gz XMKLIFFYMTVBOQ-VQHPVUNQSA-N 1 1 347.459 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@@H]2CCOC2)[C@H](C)C1 ZINC000994549642 771079960 /nfs/dbraw/zinc/07/99/60/771079960.db2.gz XMKLIFFYMTVBOQ-VQHPVUNQSA-N 1 1 347.459 0.331 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]21 ZINC001042179713 782899834 /nfs/dbraw/zinc/89/98/34/782899834.db2.gz PTNUCZRKGIJPRT-CABCVRRESA-N 1 1 328.416 0.567 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C[N@H+](C)C(C)C ZINC001056401259 771225787 /nfs/dbraw/zinc/22/57/87/771225787.db2.gz CTTKOFDIGZPRDD-BRWVUGGUSA-N 1 1 349.475 0.957 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)CC(C)(C)C1 ZINC001089457524 771227520 /nfs/dbraw/zinc/22/75/20/771227520.db2.gz AFVGLNUKWPHRTJ-OAHLLOKOSA-N 1 1 334.464 0.048 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3(CF)CC3)C2)C1 ZINC001019415512 771266949 /nfs/dbraw/zinc/26/69/49/771266949.db2.gz RECQOPRMEDRTON-HNNXBMFYSA-N 1 1 347.434 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C3(CF)CC3)C2)C1 ZINC001019415512 771266951 /nfs/dbraw/zinc/26/69/51/771266951.db2.gz RECQOPRMEDRTON-HNNXBMFYSA-N 1 1 347.434 0.895 20 30 ECEDMO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001031554657 771271293 /nfs/dbraw/zinc/27/12/93/771271293.db2.gz FGGVBGLSXFBCRR-KRWDZBQOSA-N 1 1 345.399 0.530 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)CC[N@H+]1C ZINC001056444785 771276283 /nfs/dbraw/zinc/27/62/83/771276283.db2.gz NICYNBWJEBAFKB-IDAWXYBZSA-N 1 1 325.416 0.844 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001056461134 771296037 /nfs/dbraw/zinc/29/60/37/771296037.db2.gz UESWBTQPHUAOEG-TWMKSMIVSA-N 1 1 325.416 0.988 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127472490 771301070 /nfs/dbraw/zinc/30/10/70/771301070.db2.gz NJDDDRYSXHAJPV-ZFWWWQNUSA-N 1 1 346.435 0.433 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nc(CC)ns3)C[C@H]21 ZINC001056466769 771304321 /nfs/dbraw/zinc/30/43/21/771304321.db2.gz DYDHNAZWTFAJIV-SFDCQRBFSA-N 1 1 345.472 0.749 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nc(CC)ns3)C[C@H]21 ZINC001056466769 771304325 /nfs/dbraw/zinc/30/43/25/771304325.db2.gz DYDHNAZWTFAJIV-SFDCQRBFSA-N 1 1 345.472 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccc(C)n3)C[C@H]21 ZINC001056467098 771304630 /nfs/dbraw/zinc/30/46/30/771304630.db2.gz LSIADJQEIGRRAI-XUWVNRHRSA-N 1 1 325.416 0.433 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccc(C)n3)C[C@H]21 ZINC001056467098 771304635 /nfs/dbraw/zinc/30/46/35/771304635.db2.gz LSIADJQEIGRRAI-XUWVNRHRSA-N 1 1 325.416 0.433 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC001019490590 771354621 /nfs/dbraw/zinc/35/46/21/771354621.db2.gz UYXWISZMPARECO-HOTGVXAUSA-N 1 1 341.455 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC001019490590 771354626 /nfs/dbraw/zinc/35/46/26/771354626.db2.gz UYXWISZMPARECO-HOTGVXAUSA-N 1 1 341.455 0.945 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC(C)(C)C1 ZINC001089514678 771382017 /nfs/dbraw/zinc/38/20/17/771382017.db2.gz OJPISUIITNQPDI-KBPBESRZSA-N 1 1 341.477 0.260 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC(C)(C)C2)nn1 ZINC001089515675 771383327 /nfs/dbraw/zinc/38/33/27/771383327.db2.gz YQMQZGOQXBPDGV-LBPRGKRZSA-N 1 1 334.424 0.170 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089520687 771395308 /nfs/dbraw/zinc/39/53/08/771395308.db2.gz ZQEUFPWVZMKXCH-ZDUSSCGKSA-N 1 1 334.420 0.168 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC(C)(C)C1 ZINC001089535697 771412071 /nfs/dbraw/zinc/41/20/71/771412071.db2.gz OSBMSKFPAIKDSV-CQSZACIVSA-N 1 1 348.447 0.558 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC(C)(C)C1 ZINC001089542239 771430949 /nfs/dbraw/zinc/43/09/49/771430949.db2.gz RZNDLGCZFCFDOU-AWEZNQCLSA-N 1 1 348.447 0.511 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001056628550 771446910 /nfs/dbraw/zinc/44/69/10/771446910.db2.gz SXBBOEWYWDPPHG-ARFHVFGLSA-N 1 1 335.448 0.733 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001056647849 771466024 /nfs/dbraw/zinc/46/60/24/771466024.db2.gz BIYXYCVXJSVNJR-TZMCWYRMSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001056647849 771466026 /nfs/dbraw/zinc/46/60/26/771466026.db2.gz BIYXYCVXJSVNJR-TZMCWYRMSA-N 1 1 330.392 0.082 20 30 ECEDMO C[C@@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619154 771466743 /nfs/dbraw/zinc/46/67/43/771466743.db2.gz LWTZRQHLDASKKM-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1cc(C(=O)NCC2C[NH+](Cc3cccc(C(N)=O)c3)C2)c[nH]1 ZINC001031622461 771482975 /nfs/dbraw/zinc/48/29/75/771482975.db2.gz KZZNJHDLLMYPDO-UHFFFAOYSA-N 1 1 337.383 0.847 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc4c3nnn4C)C[C@@H]21 ZINC001042200380 782928418 /nfs/dbraw/zinc/92/84/18/782928418.db2.gz BXZOFXVWYFVJJN-HIFRSBDPSA-N 1 1 338.415 0.923 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)CC(C)(C)C1 ZINC001089559937 771487714 /nfs/dbraw/zinc/48/77/14/771487714.db2.gz UNSHHTJLCOFGKS-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561185 771494159 /nfs/dbraw/zinc/49/41/59/771494159.db2.gz NVJGHDMKZTZAGX-CHWSQXEVSA-N 1 1 329.466 0.471 20 30 ECEDMO Cc1csc(=O)n1CC[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031623681 771507454 /nfs/dbraw/zinc/50/74/54/771507454.db2.gz KLWQDFHNKVNQCQ-UHFFFAOYSA-N 1 1 345.428 0.780 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001056690800 771519677 /nfs/dbraw/zinc/51/96/77/771519677.db2.gz BLVVVSMJJZMLCE-JKSUJKDBSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)CC(C)(C)C1 ZINC001089567104 771522519 /nfs/dbraw/zinc/52/25/19/771522519.db2.gz VCRLRSHKAGRGNQ-AWEZNQCLSA-N 1 1 332.448 0.968 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)C2CCN(C(=O)C3CCC3)CC2)C1=O ZINC001089569201 771531382 /nfs/dbraw/zinc/53/13/82/771531382.db2.gz SMMWOEAODHSOBE-QGZVFWFLSA-N 1 1 349.475 0.859 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c(C)ccn3C)C2)C1=O ZINC001031633657 771545759 /nfs/dbraw/zinc/54/57/59/771545759.db2.gz YLCMTQNSTLHNHU-HNNXBMFYSA-N 1 1 330.432 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001056811418 771674009 /nfs/dbraw/zinc/67/40/09/771674009.db2.gz WBIZYBPXJQHNDN-ZBFHGGJFSA-N 1 1 338.415 0.767 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001056811418 771674011 /nfs/dbraw/zinc/67/40/11/771674011.db2.gz WBIZYBPXJQHNDN-ZBFHGGJFSA-N 1 1 338.415 0.767 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)cn3)C2)C1 ZINC001056930154 771821839 /nfs/dbraw/zinc/82/18/39/771821839.db2.gz DEIXPFCDVWMMJL-JKSUJKDBSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)cn3)C2)C1 ZINC001056930154 771821842 /nfs/dbraw/zinc/82/18/42/771821842.db2.gz DEIXPFCDVWMMJL-JKSUJKDBSA-N 1 1 343.431 0.711 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 ZINC001056989682 771916175 /nfs/dbraw/zinc/91/61/75/771916175.db2.gz YCNRFPDNTDHHJO-AWEZNQCLSA-N 1 1 325.376 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2cc(F)ncn2)C1 ZINC001057060001 772013383 /nfs/dbraw/zinc/01/33/83/772013383.db2.gz DMIBSHMKNCZXIM-KBPBESRZSA-N 1 1 331.395 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2cc(F)ncn2)C1 ZINC001057060001 772013388 /nfs/dbraw/zinc/01/33/88/772013388.db2.gz DMIBSHMKNCZXIM-KBPBESRZSA-N 1 1 331.395 0.750 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057157294 772188093 /nfs/dbraw/zinc/18/80/93/772188093.db2.gz COSKTVUJYXYQJH-AWEZNQCLSA-N 1 1 328.420 0.729 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001020241323 772337236 /nfs/dbraw/zinc/33/72/36/772337236.db2.gz DLDQJRWYBUDPAM-JHJVBQTASA-N 1 1 329.408 0.809 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@H]21 ZINC001042265453 783005014 /nfs/dbraw/zinc/00/50/14/783005014.db2.gz GMURVTVGCOHBLA-GXTWGEPZSA-N 1 1 325.372 0.605 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057535979 772731075 /nfs/dbraw/zinc/73/10/75/772731075.db2.gz IPNROKVBHPMSPU-IRXDYDNUSA-N 1 1 347.459 0.354 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001057600746 772797894 /nfs/dbraw/zinc/79/78/94/772797894.db2.gz FPIGVTOQHVWMOI-HUUCEWRRSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001057600746 772797897 /nfs/dbraw/zinc/79/78/97/772797897.db2.gz FPIGVTOQHVWMOI-HUUCEWRRSA-N 1 1 329.404 0.687 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057718684 772942024 /nfs/dbraw/zinc/94/20/24/772942024.db2.gz QCKORPAEFPPHQT-DLBZAZTESA-N 1 1 347.459 0.354 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739810 772957000 /nfs/dbraw/zinc/95/70/00/772957000.db2.gz QTRKZZWDMRBVGP-BZUAXINKSA-N 1 1 339.480 0.866 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057785789 772981125 /nfs/dbraw/zinc/98/11/25/772981125.db2.gz QEPNZQPPRALMHR-OAHLLOKOSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CCN(c3ncccc3C#N)CC2)C1 ZINC001057786102 772981641 /nfs/dbraw/zinc/98/16/41/772981641.db2.gz HIOFNJOMQSVSQP-INIZCTEOSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CCN(c3ncccc3C#N)CC2)C1 ZINC001057786102 772981644 /nfs/dbraw/zinc/98/16/44/772981644.db2.gz HIOFNJOMQSVSQP-INIZCTEOSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(c2ncccn2)CC1 ZINC001057818757 773025404 /nfs/dbraw/zinc/02/54/04/773025404.db2.gz FUDPTLTUZDVVQZ-INIZCTEOSA-N 1 1 327.432 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(c2ncccn2)CC1 ZINC001057818757 773025408 /nfs/dbraw/zinc/02/54/08/773025408.db2.gz FUDPTLTUZDVVQZ-INIZCTEOSA-N 1 1 327.432 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CCCC1 ZINC001057962083 773293814 /nfs/dbraw/zinc/29/38/14/773293814.db2.gz GZVUZDVEDXEBLJ-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CCCC1 ZINC001057962083 773293818 /nfs/dbraw/zinc/29/38/18/773293818.db2.gz GZVUZDVEDXEBLJ-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC(C)=C(C)C ZINC001057962500 773295587 /nfs/dbraw/zinc/29/55/87/773295587.db2.gz YPYBXQPGYQPCMT-KRWDZBQOSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC(C)=C(C)C ZINC001057962500 773295594 /nfs/dbraw/zinc/29/55/94/773295594.db2.gz YPYBXQPGYQPCMT-KRWDZBQOSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2ncc(F)cn2)CC1 ZINC001057970524 773311228 /nfs/dbraw/zinc/31/12/28/773311228.db2.gz YZCWYYBMKNRKOU-HNNXBMFYSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2ncc(F)cn2)CC1 ZINC001057970524 773311233 /nfs/dbraw/zinc/31/12/33/773311233.db2.gz YZCWYYBMKNRKOU-HNNXBMFYSA-N 1 1 331.395 0.798 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058043434 773416550 /nfs/dbraw/zinc/41/65/50/773416550.db2.gz ONJZUVKWTLZPNY-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058043434 773416553 /nfs/dbraw/zinc/41/65/53/773416553.db2.gz ONJZUVKWTLZPNY-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058043563 773416618 /nfs/dbraw/zinc/41/66/18/773416618.db2.gz WPKKUSBIGTTWTK-AWEZNQCLSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058043563 773416622 /nfs/dbraw/zinc/41/66/22/773416622.db2.gz WPKKUSBIGTTWTK-AWEZNQCLSA-N 1 1 344.419 0.106 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001058119912 773573252 /nfs/dbraw/zinc/57/32/52/773573252.db2.gz CTLUZRYKLYDSNF-DZGCQCFKSA-N 1 1 328.420 0.836 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058176847 773707445 /nfs/dbraw/zinc/70/74/45/773707445.db2.gz IPFWXVHXZIOIEE-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058256998 773858006 /nfs/dbraw/zinc/85/80/06/773858006.db2.gz KZMPPVMOYHGZRV-HNNXBMFYSA-N 1 1 327.469 0.868 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001039806101 783130357 /nfs/dbraw/zinc/13/03/57/783130357.db2.gz SKLVYPGBKQYYSF-QFBILLFUSA-N 1 1 349.475 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2nccc(C)n2)C1 ZINC001058263966 773875876 /nfs/dbraw/zinc/87/58/76/773875876.db2.gz GQKYTNOPXYQJEB-HOTGVXAUSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2nccc(C)n2)C1 ZINC001058263966 773875881 /nfs/dbraw/zinc/87/58/81/773875881.db2.gz GQKYTNOPXYQJEB-HOTGVXAUSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CCCCCCC(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001058307178 773944459 /nfs/dbraw/zinc/94/44/59/773944459.db2.gz AHXYOMUFJCATAF-UHFFFAOYSA-N 1 1 339.480 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(C)CCC1 ZINC001058325432 773978292 /nfs/dbraw/zinc/97/82/92/773978292.db2.gz UDPIVXGAYNGGGS-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(C)CCC1 ZINC001058325432 773978301 /nfs/dbraw/zinc/97/83/01/773978301.db2.gz UDPIVXGAYNGGGS-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058381326 774067604 /nfs/dbraw/zinc/06/76/04/774067604.db2.gz DSBQSYFONAFVCJ-HUUCEWRRSA-N 1 1 328.420 0.918 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001040636946 783149861 /nfs/dbraw/zinc/14/98/61/783149861.db2.gz PODMVWZEOKCIFZ-OFQRWUPVSA-N 1 1 340.431 0.646 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058447271 774200278 /nfs/dbraw/zinc/20/02/78/774200278.db2.gz UMHCHBULLUUNQH-HUUCEWRRSA-N 1 1 328.420 0.916 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058463580 774232906 /nfs/dbraw/zinc/23/29/06/774232906.db2.gz CJNFUADNELEMOQ-CVEARBPZSA-N 1 1 339.480 0.868 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058521648 774354221 /nfs/dbraw/zinc/35/42/21/774354221.db2.gz QJHLETGVOYVDHJ-WBVHZDCISA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058521648 774354230 /nfs/dbraw/zinc/35/42/30/774354230.db2.gz QJHLETGVOYVDHJ-WBVHZDCISA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001058525174 774362837 /nfs/dbraw/zinc/36/28/37/774362837.db2.gz IQVYMFKGZSVFAN-IHRRRGAJSA-N 1 1 328.420 0.773 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058582418 774474517 /nfs/dbraw/zinc/47/45/17/774474517.db2.gz JAMZSIDRSDEIMV-CABCVRRESA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001058601658 774523592 /nfs/dbraw/zinc/52/35/92/774523592.db2.gz LLRFGIYIUUDWGN-HNNXBMFYSA-N 1 1 348.447 0.657 20 30 ECEDMO C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039859209 783201648 /nfs/dbraw/zinc/20/16/48/783201648.db2.gz YTRUZGQXQXYMAO-IIDMSEBBSA-N 1 1 337.464 0.763 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C#CC3CC3)C2)CC[N@H+]1C ZINC001039868087 783206692 /nfs/dbraw/zinc/20/66/92/783206692.db2.gz WNHPRJBVRJGVKW-FCEWJHQRSA-N 1 1 347.459 0.210 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1)c1nncn1C ZINC001045006262 774828632 /nfs/dbraw/zinc/82/86/32/774828632.db2.gz YJRXJRFZRCGLTN-FZMZJTMJSA-N 1 1 327.392 0.970 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001045237702 775197965 /nfs/dbraw/zinc/19/79/65/775197965.db2.gz OFSRYWILXAGNAG-JYJNAYRXSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)Cn3c[nH+]cc3C)C2)CCC1 ZINC001043909307 775284165 /nfs/dbraw/zinc/28/41/65/775284165.db2.gz GKKBSUGKOJKXJI-UHFFFAOYSA-N 1 1 346.431 0.627 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043909676 775285709 /nfs/dbraw/zinc/28/57/09/775285709.db2.gz LGAZRKFYZOOHBR-MRXNPFEDSA-N 1 1 334.420 0.483 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2CNCc2cnns2)CC1 ZINC001045321091 775407464 /nfs/dbraw/zinc/40/74/64/775407464.db2.gz FQVZDFYRSPLXMQ-HNNXBMFYSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027081 790375704 /nfs/dbraw/zinc/37/57/04/790375704.db2.gz QYZASOLFPYJHMJ-OAGGEKHMSA-N 1 1 330.436 0.127 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070027352 790376896 /nfs/dbraw/zinc/37/68/96/790376896.db2.gz ATUPMIMYMKLKJA-KGLIPLIRSA-N 1 1 329.408 0.849 20 30 ECEDMO Cn1nnc(C(=O)NC2(C)CC[NH+](Cc3ccccc3C#N)CC2)n1 ZINC001045526674 775740681 /nfs/dbraw/zinc/74/06/81/775740681.db2.gz KDDKOWVFCQLPCA-UHFFFAOYSA-N 1 1 339.403 0.866 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 ZINC001045546301 775771840 /nfs/dbraw/zinc/77/18/40/775771840.db2.gz KGLWPQMPKGVIMU-CQSZACIVSA-N 1 1 338.452 0.348 20 30 ECEDMO C#CCC[NH+]1CCC2(CO[C@@H](CNC(=O)C3=NC(=O)N(C)C3)C2)CC1 ZINC001045679593 776027366 /nfs/dbraw/zinc/02/73/66/776027366.db2.gz LJQSJGONMRMHGU-CQSZACIVSA-N 1 1 346.431 0.750 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001044296161 776083681 /nfs/dbraw/zinc/08/36/81/776083681.db2.gz SZRYVBUPVAVCBV-OAHLLOKOSA-N 1 1 331.420 0.121 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)c1 ZINC001045744625 776126775 /nfs/dbraw/zinc/12/67/75/776126775.db2.gz AASZTAGTFMRMPZ-VNHYZAJKSA-N 1 1 327.388 0.454 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)[nH]1 ZINC001045752888 776137281 /nfs/dbraw/zinc/13/72/81/776137281.db2.gz LTSDNAUNMBHETB-CABCVRRESA-N 1 1 339.403 0.857 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044404400 776279020 /nfs/dbraw/zinc/27/90/20/776279020.db2.gz DIWANEKXCOONSE-AWEZNQCLSA-N 1 1 337.464 0.620 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNc3nccnc3C#N)C2)C1 ZINC001068506734 790435307 /nfs/dbraw/zinc/43/53/07/790435307.db2.gz VIOASEHZSLAGKW-MGPQQGTHSA-N 1 1 328.420 0.997 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)C[C@@H]1C ZINC001044630152 776543205 /nfs/dbraw/zinc/54/32/05/776543205.db2.gz UHXPUZAXMFLRLH-KBPBESRZSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CO[C@@H](C)CC)C1 ZINC001079626702 776547698 /nfs/dbraw/zinc/54/76/98/776547698.db2.gz UNCRZERLBOOJCK-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CO[C@@H](C)CC)C1 ZINC001079626702 776547703 /nfs/dbraw/zinc/54/77/03/776547703.db2.gz UNCRZERLBOOJCK-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCC)C[C@@H]2n2ccnn2)nn1 ZINC001070051849 790457757 /nfs/dbraw/zinc/45/77/57/790457757.db2.gz SSXPEBRPHZADHB-OCCSQVGLSA-N 1 1 330.396 0.121 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079686801 776685822 /nfs/dbraw/zinc/68/58/22/776685822.db2.gz KSUJCYWAUHCSDC-CRAIPNDOSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C ZINC001079721260 776762845 /nfs/dbraw/zinc/76/28/45/776762845.db2.gz VUYWLCCPSBZHRH-FPCVCCKLSA-N 1 1 333.436 0.696 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001079773199 776841429 /nfs/dbraw/zinc/84/14/29/776841429.db2.gz BGIDYIJVVXAPGG-ZBFHGGJFSA-N 1 1 335.448 0.283 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001079773513 776841450 /nfs/dbraw/zinc/84/14/50/776841450.db2.gz NYJWHJMCMAZJMH-OAHLLOKOSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079773668 776841861 /nfs/dbraw/zinc/84/18/61/776841861.db2.gz UHLHECFSISYDHR-NVXWUHKLSA-N 1 1 349.475 0.957 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001079776471 776851070 /nfs/dbraw/zinc/85/10/70/776851070.db2.gz HEESFTHNVDUSCO-OAHLLOKOSA-N 1 1 337.464 0.816 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070064351 790487019 /nfs/dbraw/zinc/48/70/19/790487019.db2.gz MRBXZFOBKBFYOD-CABCVRRESA-N 1 1 342.403 0.782 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070064351 790487027 /nfs/dbraw/zinc/48/70/27/790487027.db2.gz MRBXZFOBKBFYOD-CABCVRRESA-N 1 1 342.403 0.782 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](n2ccnn2)C1 ZINC001070065878 790491028 /nfs/dbraw/zinc/49/10/28/790491028.db2.gz INHPXVLLCKUUIC-HIFRSBDPSA-N 1 1 344.423 0.682 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079844272 776965649 /nfs/dbraw/zinc/96/56/49/776965649.db2.gz GQDGJYABLVAKHZ-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079844272 776965655 /nfs/dbraw/zinc/96/56/55/776965655.db2.gz GQDGJYABLVAKHZ-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079930304 777102878 /nfs/dbraw/zinc/10/28/78/777102878.db2.gz JLWWODWZODYKJP-CQSZACIVSA-N 1 1 325.453 0.977 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)O2 ZINC001068538911 790514290 /nfs/dbraw/zinc/51/42/90/790514290.db2.gz BLNWVVOGQKTXAE-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H](n2ccnn2)C1 ZINC001070084529 790548144 /nfs/dbraw/zinc/54/81/44/790548144.db2.gz IASUFNDKZJJSAF-CABCVRRESA-N 1 1 329.408 0.470 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001080304825 777663426 /nfs/dbraw/zinc/66/34/26/777663426.db2.gz DKCKQAOZGNRVIB-HOCLYGCPSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001080304825 777663431 /nfs/dbraw/zinc/66/34/31/777663431.db2.gz DKCKQAOZGNRVIB-HOCLYGCPSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2cnoc2)C1 ZINC001080319936 777679998 /nfs/dbraw/zinc/67/99/98/777679998.db2.gz FBQHUVYCHOHTNT-INIZCTEOSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2cnoc2)C1 ZINC001080319936 777680002 /nfs/dbraw/zinc/68/00/02/777680002.db2.gz FBQHUVYCHOHTNT-INIZCTEOSA-N 1 1 344.415 0.374 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1Nc1ccc(C#N)nc1 ZINC001043104088 777733540 /nfs/dbraw/zinc/73/35/40/777733540.db2.gz IXMBTEOJMNMXJW-WQVCFCJDSA-N 1 1 329.404 0.543 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1Nc1ccc(C#N)nc1 ZINC001043104088 777733547 /nfs/dbraw/zinc/73/35/47/777733547.db2.gz IXMBTEOJMNMXJW-WQVCFCJDSA-N 1 1 329.404 0.543 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001043116098 777756126 /nfs/dbraw/zinc/75/61/26/777756126.db2.gz MKDPTNLNZOREKL-OAHLLOKOSA-N 1 1 335.448 0.374 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]2C)c1 ZINC001080409847 777810365 /nfs/dbraw/zinc/81/03/65/777810365.db2.gz MWKPQOZFEVHIBG-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]2C)c1 ZINC001080409847 777810374 /nfs/dbraw/zinc/81/03/74/777810374.db2.gz MWKPQOZFEVHIBG-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080416973 777820922 /nfs/dbraw/zinc/82/09/22/777820922.db2.gz SUXDHHIBYONAGW-JSGCOSHPSA-N 1 1 343.431 0.973 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001080464870 777899058 /nfs/dbraw/zinc/89/90/58/777899058.db2.gz NRFUVVBJCRLRDT-MAUKXSAKSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001080464870 777899062 /nfs/dbraw/zinc/89/90/62/777899062.db2.gz NRFUVVBJCRLRDT-MAUKXSAKSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001043187328 777911607 /nfs/dbraw/zinc/91/16/07/777911607.db2.gz AHGWYMQXNKTIIU-OAHLLOKOSA-N 1 1 349.475 0.786 20 30 ECEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 ZINC001043269875 778076526 /nfs/dbraw/zinc/07/65/26/778076526.db2.gz SJGOLGUWRUAYAE-OLZOCXBDSA-N 1 1 347.419 0.246 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2C)nn1 ZINC001080584676 778091205 /nfs/dbraw/zinc/09/12/05/778091205.db2.gz JUQHHCLHCYIMEL-UKRRQHHQSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2C)nn1 ZINC001080584676 778091214 /nfs/dbraw/zinc/09/12/14/778091214.db2.gz JUQHHCLHCYIMEL-UKRRQHHQSA-N 1 1 343.435 0.838 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@@H](n2ccnn2)C1 ZINC001070097344 790596423 /nfs/dbraw/zinc/59/64/23/790596423.db2.gz NMYTYCVEWSXTIO-CVEARBPZSA-N 1 1 339.403 0.309 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@@H](n2ccnn2)C1 ZINC001070097344 790596430 /nfs/dbraw/zinc/59/64/30/790596430.db2.gz NMYTYCVEWSXTIO-CVEARBPZSA-N 1 1 339.403 0.309 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3ncccc23)[C@@H](n2ccnn2)C1 ZINC001070099343 790602056 /nfs/dbraw/zinc/60/20/56/790602056.db2.gz GCPPTIXPNSRBHQ-CVEARBPZSA-N 1 1 349.398 0.833 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ncc3n2CCCC3)[C@@H](n2ccnn2)C1 ZINC001070100058 790603716 /nfs/dbraw/zinc/60/37/16/790603716.db2.gz BVBHBQKNOSASTC-CABCVRRESA-N 1 1 341.419 0.652 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ncc3n2CCCC3)[C@@H](n2ccnn2)C1 ZINC001070100058 790603720 /nfs/dbraw/zinc/60/37/20/790603720.db2.gz BVBHBQKNOSASTC-CABCVRRESA-N 1 1 341.419 0.652 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001043411375 778286948 /nfs/dbraw/zinc/28/69/48/778286948.db2.gz YOFDOWVXVHKBQF-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043416330 778293688 /nfs/dbraw/zinc/29/36/88/778293688.db2.gz WRBBFCFDAJEYMP-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001068584188 790631849 /nfs/dbraw/zinc/63/18/49/790631849.db2.gz FRHXTQINAXYLTC-HDJSIYSDSA-N 1 1 342.447 0.809 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043615458 778597451 /nfs/dbraw/zinc/59/74/51/778597451.db2.gz QWTMLHFCWWJUGV-ZIAGYGMSSA-N 1 1 339.480 0.864 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 ZINC001068588518 790644127 /nfs/dbraw/zinc/64/41/27/790644127.db2.gz IKYWOMKRGFGIKU-AAVRWANBSA-N 1 1 328.420 0.853 20 30 ECEDMO O=C(C#CC1CC1)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001043681947 778714866 /nfs/dbraw/zinc/71/48/66/778714866.db2.gz YNIMUAVRLOQDHZ-HOTGVXAUSA-N 1 1 345.443 0.106 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043769878 778841436 /nfs/dbraw/zinc/84/14/36/778841436.db2.gz JFIKJPPCJFIUQS-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 ZINC001068593386 790660569 /nfs/dbraw/zinc/66/05/69/790660569.db2.gz FYTPMKVSUNKIIL-JSGCOSHPSA-N 1 1 345.403 0.227 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070132401 790711106 /nfs/dbraw/zinc/71/11/06/790711106.db2.gz AKIRRRWJOOMPQE-MGPQQGTHSA-N 1 1 336.436 0.268 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001068622342 790736740 /nfs/dbraw/zinc/73/67/40/790736740.db2.gz DMJZKTGLURTFSH-GXTWGEPZSA-N 1 1 345.403 0.227 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001068622343 790736843 /nfs/dbraw/zinc/73/68/43/790736843.db2.gz DMJZKTGLURTFSH-JSGCOSHPSA-N 1 1 345.403 0.227 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]21 ZINC001042288337 779996244 /nfs/dbraw/zinc/99/62/44/779996244.db2.gz SCICQFKKRJSLOC-HZPDHXFCSA-N 1 1 330.432 0.969 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 ZINC001068631344 790755180 /nfs/dbraw/zinc/75/51/80/790755180.db2.gz DJWYIUIPFMTIKO-KBPBESRZSA-N 1 1 336.436 0.364 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]21 ZINC001042312806 780054076 /nfs/dbraw/zinc/05/40/76/780054076.db2.gz QDGBYODFXYYFTO-MNOVXSKESA-N 1 1 334.376 0.619 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001042316439 780061091 /nfs/dbraw/zinc/06/10/91/780061091.db2.gz MKPAWQWKHISZOO-NVXWUHKLSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001042316439 780061096 /nfs/dbraw/zinc/06/10/96/780061096.db2.gz MKPAWQWKHISZOO-NVXWUHKLSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C(=O)NC)nc3)C[C@H]21 ZINC001042317455 780063540 /nfs/dbraw/zinc/06/35/40/780063540.db2.gz YIPMUVATKCRUFG-XJKSGUPXSA-N 1 1 326.400 0.611 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC001042333262 780087461 /nfs/dbraw/zinc/08/74/61/780087461.db2.gz NICIDILOJVWHMZ-KGLIPLIRSA-N 1 1 346.431 0.263 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3-n3cnnn3)C[C@H]21 ZINC001042348604 780116166 /nfs/dbraw/zinc/11/61/66/780116166.db2.gz LPYHRLZTSKGPRW-WMLDXEAASA-N 1 1 336.399 0.832 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@H]21 ZINC001042358324 780139561 /nfs/dbraw/zinc/13/95/61/780139561.db2.gz QUVLKFCJQYEJAL-UONOGXRCSA-N 1 1 326.404 0.776 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@@H]21 ZINC001042358322 780139717 /nfs/dbraw/zinc/13/97/17/780139717.db2.gz QUVLKFCJQYEJAL-KBPBESRZSA-N 1 1 326.404 0.776 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001042378915 780172229 /nfs/dbraw/zinc/17/22/29/780172229.db2.gz CABKZRZVCKSCEK-BBRMVZONSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccnc(-n4cncn4)c3)C[C@H]21 ZINC001042384130 780184964 /nfs/dbraw/zinc/18/49/64/780184964.db2.gz JENAXRNJSXTZIY-GOEBONIOSA-N 1 1 336.399 0.832 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2ccc(F)c(C#N)c2)C1 ZINC001042573933 780467899 /nfs/dbraw/zinc/46/78/99/780467899.db2.gz YKDBJBGMOJZPRJ-KRWDZBQOSA-N 1 1 346.406 0.671 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2ccc(F)c(C#N)c2)C1 ZINC001042573933 780467901 /nfs/dbraw/zinc/46/79/01/780467901.db2.gz YKDBJBGMOJZPRJ-KRWDZBQOSA-N 1 1 346.406 0.671 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001042660611 780602451 /nfs/dbraw/zinc/60/24/51/780602451.db2.gz CNUOBDTWXLZPJK-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCC[NH+]1CCC2(CN(C(=O)c3ccn[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079224727 780895556 /nfs/dbraw/zinc/89/55/56/780895556.db2.gz AAGHMQGMMWBIQH-GOEBONIOSA-N 1 1 328.416 0.986 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21 ZINC001079256821 780931040 /nfs/dbraw/zinc/93/10/40/780931040.db2.gz HTSFZVPKGICCBC-YESZJQIVSA-N 1 1 346.475 0.934 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042860937 780955399 /nfs/dbraw/zinc/95/53/99/780955399.db2.gz KGJHQAFBRDPBTG-YSVLISHTSA-N 1 1 343.431 0.615 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001042942965 781076997 /nfs/dbraw/zinc/07/69/97/781076997.db2.gz IDMJZSBGTKIEIR-HZPDHXFCSA-N 1 1 347.459 0.352 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)no3)C2)C1=O ZINC001079412926 781095931 /nfs/dbraw/zinc/09/59/31/781095931.db2.gz HRJKSSWGTRTGCW-MRVWCRGKSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)no3)C2)C1=O ZINC001079412926 781095939 /nfs/dbraw/zinc/09/59/39/781095939.db2.gz HRJKSSWGTRTGCW-MRVWCRGKSA-N 1 1 332.404 0.820 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCc2ccnn2C)C1 ZINC001042959758 781101096 /nfs/dbraw/zinc/10/10/96/781101096.db2.gz BQPVWUGKHPZQTE-KRWDZBQOSA-N 1 1 329.448 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCc2ccnn2C)C1 ZINC001042959758 781101100 /nfs/dbraw/zinc/10/11/00/781101100.db2.gz BQPVWUGKHPZQTE-KRWDZBQOSA-N 1 1 329.448 0.203 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2noc(C)n2)C1 ZINC001042960343 781102692 /nfs/dbraw/zinc/10/26/92/781102692.db2.gz NQUWHUJKICDNLP-DOMZBBRYSA-N 1 1 331.420 0.679 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2noc(C)n2)C1 ZINC001042960343 781102696 /nfs/dbraw/zinc/10/26/96/781102696.db2.gz NQUWHUJKICDNLP-DOMZBBRYSA-N 1 1 331.420 0.679 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043059709 781255764 /nfs/dbraw/zinc/25/57/64/781255764.db2.gz KZIROOKHPIOTBL-JKSUJKDBSA-N 1 1 349.475 0.907 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(CC#Cc3ccccc3)C2)O1 ZINC001043066849 781266147 /nfs/dbraw/zinc/26/61/47/781266147.db2.gz GWVHEXPTPPNDPT-VQIMIIECSA-N 1 1 341.455 0.900 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(CC#Cc3ccccc3)C2)O1 ZINC001043066849 781266152 /nfs/dbraw/zinc/26/61/52/781266152.db2.gz GWVHEXPTPPNDPT-VQIMIIECSA-N 1 1 341.455 0.900 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001079600268 781306470 /nfs/dbraw/zinc/30/64/70/781306470.db2.gz ZFEHKPVMJDLVIU-BDJLRTHQSA-N 1 1 341.419 0.845 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)nc1 ZINC001077631389 781386067 /nfs/dbraw/zinc/38/60/67/781386067.db2.gz CUTFFCYXIHSUJB-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)nc1 ZINC001077631389 781386078 /nfs/dbraw/zinc/38/60/78/781386078.db2.gz CUTFFCYXIHSUJB-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO CN(c1ccnc(C#N)n1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001068679012 790879220 /nfs/dbraw/zinc/87/92/20/790879220.db2.gz IIXWXKUBWQGYHD-ZDUSSCGKSA-N 1 1 328.420 0.727 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(N(C)c2nccnc2C#N)CC1 ZINC001068680581 790882951 /nfs/dbraw/zinc/88/29/51/790882951.db2.gz HJFSWZMUOPEFAN-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451643 781544367 /nfs/dbraw/zinc/54/43/67/781544367.db2.gz OSPGFLLUAAFEIT-HOCLYGCPSA-N 1 1 326.462 0.922 20 30 ECEDMO CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708229 781558705 /nfs/dbraw/zinc/55/87/05/781558705.db2.gz AQSHJULLPHRWSS-FCGDIQPGSA-N 1 1 341.455 0.516 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNc2cncc(C#N)n2)C1 ZINC001041478542 781596128 /nfs/dbraw/zinc/59/61/28/781596128.db2.gz BPNWLHONZDESDV-GJZGRUSLSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNc3ccncc3C#N)C2)C1 ZINC001041507409 781657309 /nfs/dbraw/zinc/65/73/09/781657309.db2.gz ZWRKRQLSWNFSKB-ZBFHGGJFSA-N 1 1 343.431 0.356 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C2)C1 ZINC001041512784 781672979 /nfs/dbraw/zinc/67/29/79/781672979.db2.gz PZGWOOMBBNJOLI-SCTDSRPQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001041514374 781675996 /nfs/dbraw/zinc/67/59/96/781675996.db2.gz GYFBXLZZVGNBNK-SFHVURJKSA-N 1 1 344.415 0.686 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2O)nn1 ZINC001077801188 781721901 /nfs/dbraw/zinc/72/19/01/781721901.db2.gz GWHCTPNQNZMRKZ-UKRRQHHQSA-N 1 1 347.444 0.543 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2O)nn1 ZINC001077801548 781722057 /nfs/dbraw/zinc/72/20/57/781722057.db2.gz VWAMAJIBAJQZQP-GDBMZVCRSA-N 1 1 333.436 0.819 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)nn1 ZINC001077801212 781722093 /nfs/dbraw/zinc/72/20/93/781722093.db2.gz HQXZNCQKAGSERJ-GZBFAFLISA-N 1 1 349.435 0.054 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(C(C)(C)C)c2=O)C1 ZINC001077805833 781727556 /nfs/dbraw/zinc/72/75/56/781727556.db2.gz PHEVGGXDTDDAHD-HUUCEWRRSA-N 1 1 333.432 0.954 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001077877006 781855471 /nfs/dbraw/zinc/85/54/71/781855471.db2.gz UHMQYRVLMVJZRG-ARFHVFGLSA-N 1 1 329.400 0.599 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001039987629 783360814 /nfs/dbraw/zinc/36/08/14/783360814.db2.gz USCNRNXNMLZZHY-OALUTQOASA-N 1 1 349.475 0.908 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001040040568 783422241 /nfs/dbraw/zinc/42/22/41/783422241.db2.gz DPMIZFBTPAMPQL-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCCCC(=O)N1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001040101038 783546334 /nfs/dbraw/zinc/54/63/34/783546334.db2.gz RTTRZWWWMYESSO-KRWDZBQOSA-N 1 1 325.453 0.763 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)C#CC(C)(C)C)C1 ZINC001040105067 783557626 /nfs/dbraw/zinc/55/76/26/783557626.db2.gz VSFUKKPPNSHCSH-GOSISDBHSA-N 1 1 337.464 0.456 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@@H]1n1ccnn1 ZINC001070174603 783596759 /nfs/dbraw/zinc/59/67/59/783596759.db2.gz XTQQBGCRQHBXTI-KGLIPLIRSA-N 1 1 349.826 0.646 20 30 ECEDMO CC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001037817827 783607380 /nfs/dbraw/zinc/60/73/80/783607380.db2.gz TUYQAWOPVNUBGY-QWHCGFSZSA-N 1 1 342.407 0.440 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(NC(=O)C[N@H+]2CCC[C@H]2C)CCOCC1 ZINC001070252587 783746418 /nfs/dbraw/zinc/74/64/18/783746418.db2.gz KYIYPQCJTLAOOO-UONOGXRCSA-N 1 1 336.436 0.412 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCOCC1 ZINC001070254401 783749677 /nfs/dbraw/zinc/74/96/77/783749677.db2.gz JTDFBQOIASWEDA-HOTGVXAUSA-N 1 1 349.475 0.769 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ncc[nH]2)C1 ZINC001070385371 783929335 /nfs/dbraw/zinc/92/93/35/783929335.db2.gz QFKIXMLGVCZVCJ-AWEZNQCLSA-N 1 1 325.372 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ncc[nH]2)C1 ZINC001070385371 783929340 /nfs/dbraw/zinc/92/93/40/783929340.db2.gz QFKIXMLGVCZVCJ-AWEZNQCLSA-N 1 1 325.372 0.821 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cn[nH]n2)C1 ZINC001070386379 783931295 /nfs/dbraw/zinc/93/12/95/783931295.db2.gz MZWRUWGMLYEHMW-AWEZNQCLSA-N 1 1 340.387 0.606 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnn[nH]2)C1 ZINC001070386379 783931302 /nfs/dbraw/zinc/93/13/02/783931302.db2.gz MZWRUWGMLYEHMW-AWEZNQCLSA-N 1 1 340.387 0.606 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnn[nH]2)C1 ZINC001070386379 783931308 /nfs/dbraw/zinc/93/13/08/783931308.db2.gz MZWRUWGMLYEHMW-AWEZNQCLSA-N 1 1 340.387 0.606 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCNC(=O)C2)cc1 ZINC001038162441 783934974 /nfs/dbraw/zinc/93/49/74/783934974.db2.gz VPAOKIMBRXFNOT-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCNC(=O)C2)cc1 ZINC001038162441 783934977 /nfs/dbraw/zinc/93/49/77/783934977.db2.gz VPAOKIMBRXFNOT-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001070400875 783970592 /nfs/dbraw/zinc/97/05/92/783970592.db2.gz FRNOVRBAVKDALC-GXTWGEPZSA-N 1 1 329.404 0.117 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001070403181 783977035 /nfs/dbraw/zinc/97/70/35/783977035.db2.gz MKUNOUVYUTZYKN-KBPBESRZSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2C)C1 ZINC001070405029 783983510 /nfs/dbraw/zinc/98/35/10/783983510.db2.gz WYWMTQROIOGRPM-ZBFHGGJFSA-N 1 1 345.447 0.169 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ncccc2O)C1 ZINC001070406158 783985817 /nfs/dbraw/zinc/98/58/17/783985817.db2.gz MXNXYQJLCDVLDB-GFCCVEGCSA-N 1 1 325.372 0.863 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ncccc2O)C1 ZINC001070406158 783985824 /nfs/dbraw/zinc/98/58/24/783985824.db2.gz MXNXYQJLCDVLDB-GFCCVEGCSA-N 1 1 325.372 0.863 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001070414225 784012727 /nfs/dbraw/zinc/01/27/27/784012727.db2.gz ICKVBDOUWFDDKT-OLZOCXBDSA-N 1 1 331.420 0.527 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001070424913 784040469 /nfs/dbraw/zinc/04/04/69/784040469.db2.gz XDTQPNRZUYQKSM-DZGCQCFKSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001070424915 784041020 /nfs/dbraw/zinc/04/10/20/784041020.db2.gz XDTQPNRZUYQKSM-UKRRQHHQSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001070424916 784041207 /nfs/dbraw/zinc/04/12/07/784041207.db2.gz XDTQPNRZUYQKSM-ZFWWWQNUSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccn(CC)n2)C1 ZINC001070426440 784043106 /nfs/dbraw/zinc/04/31/06/784043106.db2.gz UJZABOMRGVADTC-CYBMUJFWSA-N 1 1 326.404 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(CC=C)nn2)C1 ZINC001070427650 784044625 /nfs/dbraw/zinc/04/46/25/784044625.db2.gz AEPLVBRHUGEBQV-CYBMUJFWSA-N 1 1 339.403 0.540 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CSC)C1 ZINC001070901755 784080836 /nfs/dbraw/zinc/08/08/36/784080836.db2.gz JQHUQRWAASOQNO-MJBXVCDLSA-N 1 1 337.445 0.479 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CSC)C1 ZINC001070901755 784080842 /nfs/dbraw/zinc/08/08/42/784080842.db2.gz JQHUQRWAASOQNO-MJBXVCDLSA-N 1 1 337.445 0.479 20 30 ECEDMO COCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C#N)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442237 784084463 /nfs/dbraw/zinc/08/44/63/784084463.db2.gz FRGXQWPQJVCMRX-WCQYABFASA-N 1 1 332.408 0.147 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC001070907522 784094213 /nfs/dbraw/zinc/09/42/13/784094213.db2.gz RFTVIROSZRAUOI-YUELXQCFSA-N 1 1 346.387 0.970 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001070907769 784094796 /nfs/dbraw/zinc/09/47/96/784094796.db2.gz XYJMIPZNKNOGLB-CFVMTHIKSA-N 1 1 344.371 0.417 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001070907769 784094798 /nfs/dbraw/zinc/09/47/98/784094798.db2.gz XYJMIPZNKNOGLB-CFVMTHIKSA-N 1 1 344.371 0.417 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H](c2nnc(C)[nH]2)C2(C[NH+](CCO)C2)C1 ZINC001070447295 784101606 /nfs/dbraw/zinc/10/16/06/784101606.db2.gz HPQFGQZXKXNGCQ-CQSZACIVSA-N 1 1 347.463 0.936 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1[C@@H]3COC[C@@H]31)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448592 784104756 /nfs/dbraw/zinc/10/47/56/784104756.db2.gz YWLGNEAQBVOVHP-BARDWOONSA-N 1 1 343.431 0.419 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451236 784113337 /nfs/dbraw/zinc/11/33/37/784113337.db2.gz WCOKRNWOLVFILJ-HUUCEWRRSA-N 1 1 344.463 0.479 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070453760 784118710 /nfs/dbraw/zinc/11/87/10/784118710.db2.gz ZAGRGZZLEBPALD-ZIAGYGMSSA-N 1 1 338.477 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001070921932 784120335 /nfs/dbraw/zinc/12/03/35/784120335.db2.gz TVEVAZZWGDYVML-OWCLPIDISA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001070921932 784120342 /nfs/dbraw/zinc/12/03/42/784120342.db2.gz TVEVAZZWGDYVML-OWCLPIDISA-N 1 1 335.448 0.208 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1[nH]cnc1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070454393 784120717 /nfs/dbraw/zinc/12/07/17/784120717.db2.gz YOGNAKRFYLCNQZ-ZDUSSCGKSA-N 1 1 341.419 0.872 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001070942121 784177614 /nfs/dbraw/zinc/17/76/14/784177614.db2.gz PLDDJJQTOMFXPE-OAHLLOKOSA-N 1 1 339.436 0.019 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001070942120 784177984 /nfs/dbraw/zinc/17/79/84/784177984.db2.gz PLDDJJQTOMFXPE-HNNXBMFYSA-N 1 1 339.436 0.019 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1 ZINC001070491361 784184189 /nfs/dbraw/zinc/18/41/89/784184189.db2.gz HFVLFJXSMWBVCD-UAGQMJEPSA-N 1 1 344.463 0.700 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC001070944832 784186295 /nfs/dbraw/zinc/18/62/95/784186295.db2.gz MIDLATRFPIVWCG-UHFFFAOYSA-N 1 1 333.436 0.948 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC001070944832 784186305 /nfs/dbraw/zinc/18/63/05/784186305.db2.gz MIDLATRFPIVWCG-UHFFFAOYSA-N 1 1 333.436 0.948 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC001070944832 784186308 /nfs/dbraw/zinc/18/63/08/784186308.db2.gz MIDLATRFPIVWCG-UHFFFAOYSA-N 1 1 333.436 0.948 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001070498445 784194435 /nfs/dbraw/zinc/19/44/35/784194435.db2.gz IBCVZLVOYKVWTH-CGTJXYLNSA-N 1 1 343.475 0.812 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001070498445 784194442 /nfs/dbraw/zinc/19/44/42/784194442.db2.gz IBCVZLVOYKVWTH-CGTJXYLNSA-N 1 1 343.475 0.812 20 30 ECEDMO C[C@H](F)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951479 784206670 /nfs/dbraw/zinc/20/66/70/784206670.db2.gz OGWKQFFZVZUJKO-ZDUSSCGKSA-N 1 1 349.410 0.899 20 30 ECEDMO C[C@H](F)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951479 784206688 /nfs/dbraw/zinc/20/66/88/784206688.db2.gz OGWKQFFZVZUJKO-ZDUSSCGKSA-N 1 1 349.410 0.899 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)n2cncn2)CC1 ZINC001070957480 784224754 /nfs/dbraw/zinc/22/47/54/784224754.db2.gz GWAXUJNJBXRHPY-HNNXBMFYSA-N 1 1 348.451 0.456 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC001070958714 784230424 /nfs/dbraw/zinc/23/04/24/784230424.db2.gz OPDWKMUHYWAEBI-MRXNPFEDSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC001070958714 784230431 /nfs/dbraw/zinc/23/04/31/784230431.db2.gz OPDWKMUHYWAEBI-MRXNPFEDSA-N 1 1 335.448 0.477 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CC2(O)CCC2)CC1 ZINC001070962529 784239953 /nfs/dbraw/zinc/23/99/53/784239953.db2.gz UORUGPMDTKHEMB-UHFFFAOYSA-N 1 1 337.464 0.908 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 ZINC001070969162 784263281 /nfs/dbraw/zinc/26/32/81/784263281.db2.gz CYGHGPAEOZTVMD-MRXNPFEDSA-N 1 1 349.479 0.138 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001070970489 784269445 /nfs/dbraw/zinc/26/94/45/784269445.db2.gz HXFBWKHRSLFKJN-INIZCTEOSA-N 1 1 349.479 0.423 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cnccc2C)CC1 ZINC001070970589 784270033 /nfs/dbraw/zinc/27/00/33/784270033.db2.gz MZWNCTVEXMTCJC-UHFFFAOYSA-N 1 1 342.443 0.606 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnccc2C)CC1 ZINC001070970589 784270040 /nfs/dbraw/zinc/27/00/40/784270040.db2.gz MZWNCTVEXMTCJC-UHFFFAOYSA-N 1 1 342.443 0.606 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001070975206 784287837 /nfs/dbraw/zinc/28/78/37/784287837.db2.gz HDPPIKCBUZZFKK-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cccnc2)CC1 ZINC001070977673 784295443 /nfs/dbraw/zinc/29/54/43/784295443.db2.gz BPYWDXWBZCZYES-UHFFFAOYSA-N 1 1 342.443 0.688 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cccnc2)CC1 ZINC001070977673 784295450 /nfs/dbraw/zinc/29/54/50/784295450.db2.gz BPYWDXWBZCZYES-UHFFFAOYSA-N 1 1 342.443 0.688 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001070981097 784310520 /nfs/dbraw/zinc/31/05/20/784310520.db2.gz JOKFAUSEDMGHOJ-OCABDXPQSA-N 1 1 347.459 0.636 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001071006097 784387929 /nfs/dbraw/zinc/38/79/29/784387929.db2.gz ULGQVLUJSCOEKM-INIZCTEOSA-N 1 1 349.479 0.423 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCOC2)n1 ZINC001070595626 784405357 /nfs/dbraw/zinc/40/53/57/784405357.db2.gz HHAUYDOMJCMQTR-PMPSAXMXSA-N 1 1 346.431 0.971 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC001071014243 784415091 /nfs/dbraw/zinc/41/50/91/784415091.db2.gz FUCKCSLDXMCAEP-YJBOKZPZSA-N 1 1 333.432 0.087 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC001071014243 784415094 /nfs/dbraw/zinc/41/50/94/784415094.db2.gz FUCKCSLDXMCAEP-YJBOKZPZSA-N 1 1 333.432 0.087 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCCN2C)n1 ZINC001070601765 784419211 /nfs/dbraw/zinc/41/92/11/784419211.db2.gz UOUPCKUWXLFOOD-ARFHVFGLSA-N 1 1 345.447 0.638 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ncccn2)n1 ZINC001070605497 784427007 /nfs/dbraw/zinc/42/70/07/784427007.db2.gz QCJOOFQKWNUXSK-UONOGXRCSA-N 1 1 340.387 0.648 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC23CCOCC3)CC1 ZINC001071026958 784456916 /nfs/dbraw/zinc/45/69/16/784456916.db2.gz TWZJFQRELRABLM-MRXNPFEDSA-N 1 1 347.459 0.477 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC23CCOCC3)CC1 ZINC001071026958 784456920 /nfs/dbraw/zinc/45/69/20/784456920.db2.gz TWZJFQRELRABLM-MRXNPFEDSA-N 1 1 347.459 0.477 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001070630581 784462410 /nfs/dbraw/zinc/46/24/10/784462410.db2.gz WRFUBJBWYTXULQ-NWANDNLSSA-N 1 1 341.419 0.397 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1c1cncn1C ZINC001070636520 784472058 /nfs/dbraw/zinc/47/20/58/784472058.db2.gz AMQBWMSFTCORPZ-ZIAGYGMSSA-N 1 1 343.435 0.631 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@@H](C)O2 ZINC001071133665 784576406 /nfs/dbraw/zinc/57/64/06/784576406.db2.gz FEGLPZHQPUAGRP-QAPCUYQASA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cccn1)C[C@H](C)O2 ZINC001071138459 784585456 /nfs/dbraw/zinc/58/54/56/784585456.db2.gz FEUWAZJDEXCWMD-WMZOPIPTSA-N 1 1 330.432 0.988 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nccnc1N)C[C@H](C)O2 ZINC001071146087 784599778 /nfs/dbraw/zinc/59/97/78/784599778.db2.gz GLCIBRIUOKMZBB-GUYCJALGSA-N 1 1 331.420 0.940 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001070729158 784611890 /nfs/dbraw/zinc/61/18/90/784611890.db2.gz AYBNBZYYVHICJX-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071154834 784617076 /nfs/dbraw/zinc/61/70/76/784617076.db2.gz PZEBQVRPZVAOJC-GUYCJALGSA-N 1 1 332.404 0.574 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)C[C@@H](C)O2 ZINC001071160170 784628401 /nfs/dbraw/zinc/62/84/01/784628401.db2.gz ZEGQVAGJTMGTAT-NVXWUHKLSA-N 1 1 331.420 0.383 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc(C)o1)C[C@H](C)O2 ZINC001071164091 784636380 /nfs/dbraw/zinc/63/63/80/784636380.db2.gz HHGLUVSVXBKCKN-GUYCJALGSA-N 1 1 332.404 0.636 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@@H+](CCn3cccn3)C2)O1 ZINC001071166082 784640040 /nfs/dbraw/zinc/64/00/40/784640040.db2.gz BQFNXSOOTDVNIR-VQIMIIECSA-N 1 1 342.443 0.988 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@H+](CC(=O)NC3CC3)C2)O1 ZINC001071166053 784640427 /nfs/dbraw/zinc/64/04/27/784640427.db2.gz BFMQAJNCCFCZDC-KUHUBIRLSA-N 1 1 345.443 0.370 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@@H+](CC(=O)NC3CC3)C2)O1 ZINC001071166053 784640432 /nfs/dbraw/zinc/64/04/32/784640432.db2.gz BFMQAJNCCFCZDC-KUHUBIRLSA-N 1 1 345.443 0.370 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@@H](C)O2 ZINC001071166832 784642430 /nfs/dbraw/zinc/64/24/30/784642430.db2.gz ORRBMBIGJDFTKN-DYVFJYSZSA-N 1 1 333.436 0.924 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn[nH]c(=O)c1)C[C@@H](C)O2 ZINC001071177927 784669925 /nfs/dbraw/zinc/66/99/25/784669925.db2.gz IANPROIADWMWLP-DYVFJYSZSA-N 1 1 330.388 0.511 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(C)nc1C)C[C@@H](C)O2 ZINC001071177494 784670188 /nfs/dbraw/zinc/67/01/88/784670188.db2.gz AXUUKYCMUXDQDD-BEFAXECRSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@@H](C)O2 ZINC001071177457 784670208 /nfs/dbraw/zinc/67/02/08/784670208.db2.gz AIIAGJVYKZWXHM-RDTXWAMCSA-N 1 1 344.415 0.109 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@H](C)O2 ZINC001071181443 784680766 /nfs/dbraw/zinc/68/07/66/784680766.db2.gz XSAXZQBGKSLXMA-KXBFYZLASA-N 1 1 343.427 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)cn1C)C[C@@H](C)O2 ZINC001071185595 784687895 /nfs/dbraw/zinc/68/78/95/784687895.db2.gz JIGQEIRRQRKDOD-ACJLOTCBSA-N 1 1 346.431 0.615 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1C(=O)CCC1=O)C[C@H](C)O2 ZINC001071186743 784691297 /nfs/dbraw/zinc/69/12/97/784691297.db2.gz XMQLMANZULMPGV-KBXCAEBGSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)cn1C)C[C@@H](C)O2 ZINC001071186393 784692210 /nfs/dbraw/zinc/69/22/10/784692210.db2.gz VCMRAEZCZUQCEM-FZKQIMNGSA-N 1 1 344.415 0.063 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@H](C)O2 ZINC001071189449 784694529 /nfs/dbraw/zinc/69/45/29/784694529.db2.gz LEKQKAVCXOQPLP-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@H](C)O2 ZINC001071190113 784696447 /nfs/dbraw/zinc/69/64/47/784696447.db2.gz UIXHNMPADNEFGJ-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3nccn3c1)C[C@@H](C)O2 ZINC001071190368 784697920 /nfs/dbraw/zinc/69/79/20/784697920.db2.gz YEYZAOFHVNTRCK-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071191225 784700275 /nfs/dbraw/zinc/70/02/75/784700275.db2.gz CNBKHVWDQREVDI-PXAZEXFGSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071191225 784700280 /nfs/dbraw/zinc/70/02/80/784700280.db2.gz CNBKHVWDQREVDI-PXAZEXFGSA-N 1 1 331.372 0.317 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@H](C)O2 ZINC001071191400 784701730 /nfs/dbraw/zinc/70/17/30/784701730.db2.gz FVHJHTODWUKPGX-UGSOOPFHSA-N 1 1 345.399 0.707 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001071196513 784714011 /nfs/dbraw/zinc/71/40/11/784714011.db2.gz CWYGQJQQERDZPI-RDTXWAMCSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001071196513 784714016 /nfs/dbraw/zinc/71/40/16/784714016.db2.gz CWYGQJQQERDZPI-RDTXWAMCSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccn3nnnc3c1)C[C@@H](C)O2 ZINC001071200406 784722391 /nfs/dbraw/zinc/72/23/91/784722391.db2.gz WHTBCTAIYDHDDU-DYVFJYSZSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccn3nnnc3c1)C[C@@H](C)O2 ZINC001071200406 784722397 /nfs/dbraw/zinc/72/23/97/784722397.db2.gz WHTBCTAIYDHDDU-DYVFJYSZSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@@H](C)O2 ZINC001071204624 784730602 /nfs/dbraw/zinc/73/06/02/784730602.db2.gz PVGUIUCSTUFMLS-PBHICJAKSA-N 1 1 332.404 0.124 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001071206995 784737115 /nfs/dbraw/zinc/73/71/15/784737115.db2.gz SSFPVGUZVMXHPT-ZBEGNZNMSA-N 1 1 348.428 0.297 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001071206995 784737123 /nfs/dbraw/zinc/73/71/23/784737123.db2.gz SSFPVGUZVMXHPT-ZBEGNZNMSA-N 1 1 348.428 0.297 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccc(C)n1)C[C@H](C)O2 ZINC001071211880 784747546 /nfs/dbraw/zinc/74/75/46/784747546.db2.gz PKSYRLQLWYURHT-FUHWJXTLSA-N 1 1 330.432 0.907 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@H](C)O2 ZINC001071212290 784749239 /nfs/dbraw/zinc/74/92/39/784749239.db2.gz VSPWIICLRJVDKK-UGSOOPFHSA-N 1 1 344.415 0.442 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn[nH]n1)C[C@H](C)O2 ZINC001071212417 784749422 /nfs/dbraw/zinc/74/94/22/784749422.db2.gz XHHXNTHOYCHIPJ-WMLDXEAASA-N 1 1 331.420 0.452 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@H](C)O2 ZINC001071212417 784749428 /nfs/dbraw/zinc/74/94/28/784749428.db2.gz XHHXNTHOYCHIPJ-WMLDXEAASA-N 1 1 331.420 0.452 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@H](C)O2 ZINC001071212417 784749432 /nfs/dbraw/zinc/74/94/32/784749432.db2.gz XHHXNTHOYCHIPJ-WMLDXEAASA-N 1 1 331.420 0.452 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3cccnn31)C[C@H](C)O2 ZINC001071216722 784756980 /nfs/dbraw/zinc/75/69/80/784756980.db2.gz VJSALOGZUQJMSI-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C[C@H](C)O2 ZINC001071219572 784764943 /nfs/dbraw/zinc/76/49/43/784764943.db2.gz WHPKSSFKHXFCQR-UGSOOPFHSA-N 1 1 349.431 0.307 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CCC=C)nn1)C[C@H](C)O2 ZINC001071219669 784765286 /nfs/dbraw/zinc/76/52/86/784765286.db2.gz WVDKOLUBHUVWAI-MAUKXSAKSA-N 1 1 343.431 0.793 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CCC=C)nn1)C[C@H](C)O2 ZINC001071219669 784765294 /nfs/dbraw/zinc/76/52/94/784765294.db2.gz WVDKOLUBHUVWAI-MAUKXSAKSA-N 1 1 343.431 0.793 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(=O)N1CCC(C)CC1)C[C@H](C)O2 ZINC001071219814 784765973 /nfs/dbraw/zinc/76/59/73/784765973.db2.gz YNJHCSBAJURKFQ-QFBILLFUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC)nn1)C[C@@H](C)O2 ZINC001071224967 784779990 /nfs/dbraw/zinc/77/99/90/784779990.db2.gz DBCMUVNNHJFESI-PBHICJAKSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@H](C)O2 ZINC001071227933 784788401 /nfs/dbraw/zinc/78/84/01/784788401.db2.gz MKBWTRGIOHUFHQ-SUMWQHHRSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@H](C)O2 ZINC001071227933 784788406 /nfs/dbraw/zinc/78/84/06/784788406.db2.gz MKBWTRGIOHUFHQ-SUMWQHHRSA-N 1 1 330.388 0.424 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CCCO)C3)C2)cn1 ZINC001071230923 784793151 /nfs/dbraw/zinc/79/31/51/784793151.db2.gz LHPIFECWBXQPCW-HNAYVOBHSA-N 1 1 343.427 0.751 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@@H](C)O2 ZINC001071235780 784802700 /nfs/dbraw/zinc/80/27/00/784802700.db2.gz KCZLJZAVMJZMLF-RDTXWAMCSA-N 1 1 341.415 0.991 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c(C)csc1=O)C[C@@H](C)O2 ZINC001071239137 784809819 /nfs/dbraw/zinc/80/98/19/784809819.db2.gz WUDTXAOEADQLNU-RHSMWYFYSA-N 1 1 349.456 0.543 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccnc1C)C[C@@H](C)O2 ZINC001071241489 784816868 /nfs/dbraw/zinc/81/68/68/784816868.db2.gz VZTXJCFEEHXEQY-CRAIPNDOSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn(C)c1)C[C@@H](C)O2 ZINC001071243079 784819597 /nfs/dbraw/zinc/81/95/97/784819597.db2.gz APZQMVINXYVKJS-QAPCUYQASA-N 1 1 330.432 0.678 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@@H](C)O2 ZINC001071243373 784820432 /nfs/dbraw/zinc/82/04/32/784820432.db2.gz FKAXAMUNUTUGTD-RDTXWAMCSA-N 1 1 346.431 0.053 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@H](C)O2 ZINC001071244066 784822621 /nfs/dbraw/zinc/82/26/21/784822621.db2.gz OZRJZAVSRBSPRK-KBXCAEBGSA-N 1 1 348.447 0.605 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@@H](C)O2 ZINC001071248181 784830260 /nfs/dbraw/zinc/83/02/60/784830260.db2.gz FZZIOHJDIGVCGR-RDTXWAMCSA-N 1 1 345.447 0.935 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@H](C)O2 ZINC001071248604 784831880 /nfs/dbraw/zinc/83/18/80/784831880.db2.gz OIKJPXPVLVDRFS-KSSFIOAISA-N 1 1 345.447 0.935 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)nc1)C[C@@H](C)O2 ZINC001071248823 784832258 /nfs/dbraw/zinc/83/22/58/784832258.db2.gz UEASRXHPJUAZKE-FZKQIMNGSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cn(C)cn3)C2)C(=O)C1 ZINC001071262252 784874787 /nfs/dbraw/zinc/87/47/87/784874787.db2.gz GRGPDHMYMDQPTD-OAHLLOKOSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cn(C)cn3)C2)C(=O)C1 ZINC001071262252 784874796 /nfs/dbraw/zinc/87/47/96/784874796.db2.gz GRGPDHMYMDQPTD-OAHLLOKOSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cnco3)C2)C(=O)C1 ZINC001071270343 784900359 /nfs/dbraw/zinc/90/03/59/784900359.db2.gz BYFBAYHSAVIDQM-AWEZNQCLSA-N 1 1 332.404 1.000 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cnco3)C2)C(=O)C1 ZINC001071270343 784900361 /nfs/dbraw/zinc/90/03/61/784900361.db2.gz BYFBAYHSAVIDQM-AWEZNQCLSA-N 1 1 332.404 1.000 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C(=O)C1 ZINC001071272160 784906517 /nfs/dbraw/zinc/90/65/17/784906517.db2.gz HKZRXDBRPGTLJM-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1Cc1ccccc1C#N ZINC001071339789 784976701 /nfs/dbraw/zinc/97/67/01/784976701.db2.gz FDLIQKQCCZHIPT-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1ccccc1C#N ZINC001071339789 784976706 /nfs/dbraw/zinc/97/67/06/784976706.db2.gz FDLIQKQCCZHIPT-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001071340471 784978732 /nfs/dbraw/zinc/97/87/32/784978732.db2.gz PEJGPJNNHCRWJG-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001071340997 784980103 /nfs/dbraw/zinc/98/01/03/784980103.db2.gz XABNTSPWNMCHLE-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001071348468 784989874 /nfs/dbraw/zinc/98/98/74/784989874.db2.gz FDXWZEBPWZOWMU-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071413597 785062355 /nfs/dbraw/zinc/06/23/55/785062355.db2.gz JVEMDFMTAGNLKW-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CC(=O)N1CCC1 ZINC001071413597 785062362 /nfs/dbraw/zinc/06/23/62/785062362.db2.gz JVEMDFMTAGNLKW-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CCn1cncn1 ZINC001071431798 785078986 /nfs/dbraw/zinc/07/89/86/785078986.db2.gz VTZRLVIQOYACEN-TZMCWYRMSA-N 1 1 327.392 0.761 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1C ZINC001071814556 785147313 /nfs/dbraw/zinc/14/73/13/785147313.db2.gz JUHLBYOKRZXWOR-MNOVXSKESA-N 1 1 341.437 0.216 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)CC[C@H]1C ZINC001071828450 785179327 /nfs/dbraw/zinc/17/93/27/785179327.db2.gz OSDXXWGBXVWZMP-ZIAGYGMSSA-N 1 1 330.432 0.739 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1Cc1ccccc1C#N ZINC001071513613 785229479 /nfs/dbraw/zinc/22/94/79/785229479.db2.gz GMWSBDLVLJTDFZ-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1ccccc1C#N ZINC001071513613 785229484 /nfs/dbraw/zinc/22/94/84/785229484.db2.gz GMWSBDLVLJTDFZ-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001071514784 785232220 /nfs/dbraw/zinc/23/22/20/785232220.db2.gz PBEUTYZIWUGWMI-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001071890744 785278303 /nfs/dbraw/zinc/27/83/03/785278303.db2.gz RDSUDTDTJCQIAP-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001071890744 785278311 /nfs/dbraw/zinc/27/83/11/785278311.db2.gz RDSUDTDTJCQIAP-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001071918594 785332755 /nfs/dbraw/zinc/33/27/55/785332755.db2.gz QGCSEOGLTXJRCQ-WFASDCNBSA-N 1 1 331.420 0.805 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071919022 785333306 /nfs/dbraw/zinc/33/33/06/785333306.db2.gz VWUVBEDNYYJZCR-WBMJQRKESA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071922894 785342562 /nfs/dbraw/zinc/34/25/62/785342562.db2.gz ZCRGOJJRZONZNH-WBMJQRKESA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1C ZINC001071969038 785439580 /nfs/dbraw/zinc/43/95/80/785439580.db2.gz YMJPQAZTJRYNOF-STQMWFEESA-N 1 1 334.420 0.309 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2sccc2-n2cnnn2)CC[C@@H]1C ZINC001071645957 785441915 /nfs/dbraw/zinc/44/19/15/785441915.db2.gz PJVRBRCJJRPBPP-RYUDHWBXSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2-n2cnnn2)CC[C@@H]1C ZINC001071645957 785441919 /nfs/dbraw/zinc/44/19/19/785441919.db2.gz PJVRBRCJJRPBPP-RYUDHWBXSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@H]1C ZINC001071670345 785491241 /nfs/dbraw/zinc/49/12/41/785491241.db2.gz JKBRCGFADXYCHD-HUUCEWRRSA-N 1 1 346.431 0.496 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)Cn4cccn4)C3)C2)C1=O ZINC001072469152 786227486 /nfs/dbraw/zinc/22/74/86/786227486.db2.gz MISBADDDEMHJMP-HNNXBMFYSA-N 1 1 343.431 0.204 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@H]21 ZINC001074232587 786472982 /nfs/dbraw/zinc/47/29/82/786472982.db2.gz CBSYCWKPWOUUBD-CVEARBPZSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@H]21 ZINC001074232587 786472990 /nfs/dbraw/zinc/47/29/90/786472990.db2.gz CBSYCWKPWOUUBD-CVEARBPZSA-N 1 1 349.435 0.416 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CCn3cccn3)CCCO2)c1 ZINC001073568037 786632249 /nfs/dbraw/zinc/63/22/49/786632249.db2.gz HSGLAHOLZKTDPB-HNNXBMFYSA-N 1 1 342.403 0.604 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CCn3cccn3)CCCO2)[nH]1 ZINC001073574353 786653504 /nfs/dbraw/zinc/65/35/04/786653504.db2.gz PUQXEBCXUWEGOS-HNNXBMFYSA-N 1 1 342.403 0.604 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@@H]21 ZINC001074315471 786659156 /nfs/dbraw/zinc/65/91/56/786659156.db2.gz WVQTUTZCDWCASF-LSDHHAIUSA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@@H]21 ZINC001074315471 786659163 /nfs/dbraw/zinc/65/91/63/786659163.db2.gz WVQTUTZCDWCASF-LSDHHAIUSA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@H]21 ZINC001074315468 786659239 /nfs/dbraw/zinc/65/92/39/786659239.db2.gz WVQTUTZCDWCASF-CABCVRRESA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@H]21 ZINC001074315468 786659246 /nfs/dbraw/zinc/65/92/46/786659246.db2.gz WVQTUTZCDWCASF-CABCVRRESA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001074354565 786740466 /nfs/dbraw/zinc/74/04/66/786740466.db2.gz RZDSTVUWDSJJJJ-HUUCEWRRSA-N 1 1 348.451 0.674 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001074354565 786740469 /nfs/dbraw/zinc/74/04/69/786740469.db2.gz RZDSTVUWDSJJJJ-HUUCEWRRSA-N 1 1 348.451 0.674 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001073601301 786748260 /nfs/dbraw/zinc/74/82/60/786748260.db2.gz AJFAEUUCPVEABE-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CCOC)c2C)C1 ZINC001073602440 786751205 /nfs/dbraw/zinc/75/12/05/786751205.db2.gz XPPNOWARXNUOKG-INIZCTEOSA-N 1 1 348.447 0.682 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cncc3[nH]cnc32)C1 ZINC001073611210 786767826 /nfs/dbraw/zinc/76/78/26/786767826.db2.gz QJXJKCXDEGXJEG-CYBMUJFWSA-N 1 1 327.388 0.802 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001073626839 786802390 /nfs/dbraw/zinc/80/23/90/786802390.db2.gz UMWFVVCRDAIZJJ-INIZCTEOSA-N 1 1 345.399 0.005 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001073626839 786802401 /nfs/dbraw/zinc/80/24/01/786802401.db2.gz UMWFVVCRDAIZJJ-INIZCTEOSA-N 1 1 345.399 0.005 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001073629917 786811320 /nfs/dbraw/zinc/81/13/20/786811320.db2.gz IWRIDWSBYLOXML-GFCCVEGCSA-N 1 1 330.392 0.750 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001073634584 786831442 /nfs/dbraw/zinc/83/14/42/786831442.db2.gz TWZBUBUJJSAPJQ-ZBFHGGJFSA-N 1 1 328.416 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001073634584 786831455 /nfs/dbraw/zinc/83/14/55/786831455.db2.gz TWZBUBUJJSAPJQ-ZBFHGGJFSA-N 1 1 328.416 0.422 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001073645696 786862284 /nfs/dbraw/zinc/86/22/84/786862284.db2.gz VQUTXIWKCSBFQL-CQSZACIVSA-N 1 1 332.404 0.257 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001073645655 786862374 /nfs/dbraw/zinc/86/23/74/786862374.db2.gz UMDYACBOULWHAG-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001073645655 786862381 /nfs/dbraw/zinc/86/23/81/786862381.db2.gz UMDYACBOULWHAG-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001073649141 786870702 /nfs/dbraw/zinc/87/07/02/786870702.db2.gz MYBFUFHGCMOUAL-CYBMUJFWSA-N 1 1 340.374 0.911 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001073649141 786870690 /nfs/dbraw/zinc/87/06/90/786870690.db2.gz MYBFUFHGCMOUAL-CYBMUJFWSA-N 1 1 340.374 0.911 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001073649606 786873779 /nfs/dbraw/zinc/87/37/79/786873779.db2.gz ZRMMFVYBOZXRTL-OAHLLOKOSA-N 1 1 331.416 0.538 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001073649606 786873790 /nfs/dbraw/zinc/87/37/90/786873790.db2.gz ZRMMFVYBOZXRTL-OAHLLOKOSA-N 1 1 331.416 0.538 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001073660511 786902652 /nfs/dbraw/zinc/90/26/52/786902652.db2.gz GRMNJYYUOPIGKI-OWCLPIDISA-N 1 1 325.453 0.489 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001073661171 786905473 /nfs/dbraw/zinc/90/54/73/786905473.db2.gz XLVUDJAXYHTBOT-CQSZACIVSA-N 1 1 332.404 0.643 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001073664491 786911025 /nfs/dbraw/zinc/91/10/25/786911025.db2.gz HPRBXRGWDFNEEQ-NVXWUHKLSA-N 1 1 330.432 0.676 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001073667297 786916742 /nfs/dbraw/zinc/91/67/42/786916742.db2.gz BQLCTBPVMYRWOR-ZIAGYGMSSA-N 1 1 349.435 0.329 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001073671065 786928833 /nfs/dbraw/zinc/92/88/33/786928833.db2.gz VFUODMGBOXGZDL-AWEZNQCLSA-N 1 1 332.404 0.735 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001073671065 786928835 /nfs/dbraw/zinc/92/88/35/786928835.db2.gz VFUODMGBOXGZDL-AWEZNQCLSA-N 1 1 332.404 0.735 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2csc(NC(C)=O)n2)C1 ZINC001073672802 786935323 /nfs/dbraw/zinc/93/53/23/786935323.db2.gz POEPICRAUUTALC-LBPRGKRZSA-N 1 1 336.417 0.555 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2csc(NC(C)=O)n2)C1 ZINC001073672802 786935326 /nfs/dbraw/zinc/93/53/26/786935326.db2.gz POEPICRAUUTALC-LBPRGKRZSA-N 1 1 336.417 0.555 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001073681731 786958583 /nfs/dbraw/zinc/95/85/83/786958583.db2.gz WYLGNBKOLWOIFE-CYBMUJFWSA-N 1 1 346.387 0.419 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001073691472 786978614 /nfs/dbraw/zinc/97/86/14/786978614.db2.gz VTHKDVYJALEURP-HNNXBMFYSA-N 1 1 336.436 0.926 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001073696769 786989305 /nfs/dbraw/zinc/98/93/05/786989305.db2.gz ODTJUCKYBGKONO-CQSZACIVSA-N 1 1 344.419 0.760 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001073697110 786992920 /nfs/dbraw/zinc/99/29/20/786992920.db2.gz ZJNPKNHNDQYCIP-AWEZNQCLSA-N 1 1 344.419 0.760 20 30 ECEDMO C=CCN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073710377 787021228 /nfs/dbraw/zinc/02/12/28/787021228.db2.gz YSRARLIDGWKDKD-LPMVOBIJSA-N 1 1 335.448 0.243 20 30 ECEDMO C=CCN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073710377 787021235 /nfs/dbraw/zinc/02/12/35/787021235.db2.gz YSRARLIDGWKDKD-LPMVOBIJSA-N 1 1 335.448 0.243 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001073727626 787072077 /nfs/dbraw/zinc/07/20/77/787072077.db2.gz ZBTLATCUEPGUGW-OAHLLOKOSA-N 1 1 341.415 0.812 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001073741971 787098865 /nfs/dbraw/zinc/09/88/65/787098865.db2.gz ZLRCXWYULRFCSL-RDJZCZTQSA-N 1 1 344.459 0.755 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001073745567 787109700 /nfs/dbraw/zinc/10/97/00/787109700.db2.gz BDHZWORJNBOLEC-LSDHHAIUSA-N 1 1 347.463 0.703 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)C2 ZINC001073764217 787156425 /nfs/dbraw/zinc/15/64/25/787156425.db2.gz DJAVJUYICOBVFR-ZBFHGGJFSA-N 1 1 331.420 0.485 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001074518956 787158122 /nfs/dbraw/zinc/15/81/22/787158122.db2.gz YFKGNPAPSVHVFX-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001073772585 787174222 /nfs/dbraw/zinc/17/42/22/787174222.db2.gz SINIUTBTBKVMLW-BZUAXINKSA-N 1 1 330.432 0.754 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073796471 787219741 /nfs/dbraw/zinc/21/97/41/787219741.db2.gz NIVGYWFNIRGPEY-HNNXBMFYSA-N 1 1 344.477 0.594 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073796471 787219744 /nfs/dbraw/zinc/21/97/44/787219744.db2.gz NIVGYWFNIRGPEY-HNNXBMFYSA-N 1 1 344.477 0.594 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001073815570 787250843 /nfs/dbraw/zinc/25/08/43/787250843.db2.gz DSDGCVGIBXNZGU-OAHLLOKOSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001073815570 787250847 /nfs/dbraw/zinc/25/08/47/787250847.db2.gz DSDGCVGIBXNZGU-OAHLLOKOSA-N 1 1 339.399 0.926 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001073853672 787364783 /nfs/dbraw/zinc/36/47/83/787364783.db2.gz LHKCAGVPOBADRQ-CQSZACIVSA-N 1 1 347.415 0.867 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001073853709 787365654 /nfs/dbraw/zinc/36/56/54/787365654.db2.gz LZNOYHHLFKPBAN-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](CC)C(N)=O)CCCO2)nc1 ZINC001073865400 787398986 /nfs/dbraw/zinc/39/89/86/787398986.db2.gz IALSICQVBOTNRQ-GDBMZVCRSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)CCCO2)nc1 ZINC001073865400 787398998 /nfs/dbraw/zinc/39/89/98/787398998.db2.gz IALSICQVBOTNRQ-GDBMZVCRSA-N 1 1 344.415 0.148 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001073873493 787416682 /nfs/dbraw/zinc/41/66/82/787416682.db2.gz CLCOLWYHCRWOPB-MRXNPFEDSA-N 1 1 334.420 0.374 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001074622080 787426579 /nfs/dbraw/zinc/42/65/79/787426579.db2.gz VHAYNVZHAAADKM-ZDUSSCGKSA-N 1 1 336.436 0.100 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001073883263 787428391 /nfs/dbraw/zinc/42/83/91/787428391.db2.gz IFWNXXMUUFDDGM-OAHLLOKOSA-N 1 1 330.388 0.631 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001073883263 787428395 /nfs/dbraw/zinc/42/83/95/787428395.db2.gz IFWNXXMUUFDDGM-OAHLLOKOSA-N 1 1 330.388 0.631 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001073883609 787430786 /nfs/dbraw/zinc/43/07/86/787430786.db2.gz SNSHAXMPMHIWOW-OAHLLOKOSA-N 1 1 346.431 0.497 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001073883609 787430791 /nfs/dbraw/zinc/43/07/91/787430791.db2.gz SNSHAXMPMHIWOW-OAHLLOKOSA-N 1 1 346.431 0.497 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001073896585 787465994 /nfs/dbraw/zinc/46/59/94/787465994.db2.gz VSXPILBXFGGXFU-KGLIPLIRSA-N 1 1 330.450 0.347 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001073896585 787465999 /nfs/dbraw/zinc/46/59/99/787465999.db2.gz VSXPILBXFGGXFU-KGLIPLIRSA-N 1 1 330.450 0.347 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001073899592 787475416 /nfs/dbraw/zinc/47/54/16/787475416.db2.gz YDPGPIWDISRWAP-CVEARBPZSA-N 1 1 345.447 0.379 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3nnn(C)c32)C1 ZINC001073914521 787518683 /nfs/dbraw/zinc/51/86/83/787518683.db2.gz VOMMMLFHZGELHC-ZDUSSCGKSA-N 1 1 329.404 0.975 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001073914933 787520315 /nfs/dbraw/zinc/52/03/15/787520315.db2.gz KDTFTNTUUKQJIA-AWEZNQCLSA-N 1 1 330.388 0.025 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001073914933 787520322 /nfs/dbraw/zinc/52/03/22/787520322.db2.gz KDTFTNTUUKQJIA-AWEZNQCLSA-N 1 1 330.388 0.025 20 30 ECEDMO C[N@@H+](C[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCNC1=O ZINC001073984528 787633423 /nfs/dbraw/zinc/63/34/23/787633423.db2.gz PCXQDNBJCFXTEF-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001074722827 787694489 /nfs/dbraw/zinc/69/44/89/787694489.db2.gz RAJSNKJXYNQXJU-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2C[N@H+](C)[C@H]2CCNC2=O)nn1 ZINC001074078005 787822250 /nfs/dbraw/zinc/82/22/50/787822250.db2.gz BZUKWSZZTDSETB-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO N#CCN1CC[NH+](Cc2ccc(CNC(=O)c3cnon3)cc2)CC1 ZINC001074113802 787902998 /nfs/dbraw/zinc/90/29/98/787902998.db2.gz GAOJPMFHANSLGF-UHFFFAOYSA-N 1 1 340.387 0.641 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C1CC1 ZINC001072592594 788386251 /nfs/dbraw/zinc/38/62/51/788386251.db2.gz JGUJSGYRKSLMBG-UHFFFAOYSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)CC(C)(C)O)C3)C2)C1=O ZINC001072678450 788575292 /nfs/dbraw/zinc/57/52/92/788575292.db2.gz JMJFHNSXVJLLNJ-AWEZNQCLSA-N 1 1 335.448 0.469 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001072706720 788625158 /nfs/dbraw/zinc/62/51/58/788625158.db2.gz QJBRYIRPJBEMFX-RHSMWYFYSA-N 1 1 342.443 0.980 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001074981073 788659843 /nfs/dbraw/zinc/65/98/43/788659843.db2.gz BVKTXRXGHKZXQM-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001074981071 788659960 /nfs/dbraw/zinc/65/99/60/788659960.db2.gz BVKTXRXGHKZXQM-NVXWUHKLSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC001072732829 788666110 /nfs/dbraw/zinc/66/61/10/788666110.db2.gz ZXHARUXHRZQXSV-AWEZNQCLSA-N 1 1 341.415 0.320 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)Cn4ncnn4)C3)C2)s1 ZINC001072740811 788683683 /nfs/dbraw/zinc/68/36/83/788683683.db2.gz KWKLZBYALQKNHE-UHFFFAOYSA-N 1 1 343.416 0.341 20 30 ECEDMO COc1ccc(C[N@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)cc1C#N ZINC001072934791 789134485 /nfs/dbraw/zinc/13/44/85/789134485.db2.gz VEPUCJYRQAEKJV-UHFFFAOYSA-N 1 1 328.372 0.086 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001072944759 789147552 /nfs/dbraw/zinc/14/75/52/789147552.db2.gz KOIKOQDZMMSUNZ-SUMWQHHRSA-N 1 1 333.432 0.928 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N2CCC2)C3)c1 ZINC001072968629 789180631 /nfs/dbraw/zinc/18/06/31/789180631.db2.gz VRWQCANPVDQUEU-UHFFFAOYSA-N 1 1 338.411 0.443 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCCNC2=O)C3)c1 ZINC001072968676 789181209 /nfs/dbraw/zinc/18/12/09/789181209.db2.gz XFHMSRJDJDHPRX-MRXNPFEDSA-N 1 1 338.411 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1CCOCC1 ZINC001075302595 789188172 /nfs/dbraw/zinc/18/81/72/789188172.db2.gz UIIHFDIHFQXAJZ-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1CCOCC1 ZINC001075302595 789188177 /nfs/dbraw/zinc/18/81/77/789188177.db2.gz UIIHFDIHFQXAJZ-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001072986701 789228280 /nfs/dbraw/zinc/22/82/80/789228280.db2.gz HFFFBXROGNCNOA-RDTXWAMCSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H]4OCC[C@H]4C)C3)C2)C1=O ZINC001072993736 789243644 /nfs/dbraw/zinc/24/36/44/789243644.db2.gz PIXFMOGEGIZVHT-PMPSAXMXSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001073028887 789303443 /nfs/dbraw/zinc/30/34/43/789303443.db2.gz DXNSOBGVTLDMNO-BZUAXINKSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CCOCC(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001073041788 789330875 /nfs/dbraw/zinc/33/08/75/789330875.db2.gz LUWFTKLNVNVKRY-UHFFFAOYSA-N 1 1 334.420 0.891 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001073041766 789331639 /nfs/dbraw/zinc/33/16/39/789331639.db2.gz LCHUSPPGALPLFC-AWEZNQCLSA-N 1 1 346.431 0.727 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001073150221 789530895 /nfs/dbraw/zinc/53/08/95/789530895.db2.gz OUXNGBQEEVHVOX-HNNXBMFYSA-N 1 1 339.461 0.016 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001073154019 789538317 /nfs/dbraw/zinc/53/83/17/789538317.db2.gz JICVJOBAOGNAHO-AWEZNQCLSA-N 1 1 336.436 0.366 20 30 ECEDMO Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001075616498 789574122 /nfs/dbraw/zinc/57/41/22/789574122.db2.gz UZKMIYRNPKJIGM-FPMFFAJLSA-N 1 1 334.445 0.911 20 30 ECEDMO C[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001069221734 789673522 /nfs/dbraw/zinc/67/35/22/789673522.db2.gz VBMSXEXMEFSCCP-CHWSQXEVSA-N 1 1 328.420 0.656 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2N(c2cncc(C#N)n2)CC3)C1 ZINC001069265558 789716545 /nfs/dbraw/zinc/71/65/45/789716545.db2.gz CIOXWKNLRJRZHA-DHSIGJKJSA-N 1 1 340.431 0.918 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073425532 789821752 /nfs/dbraw/zinc/82/17/52/789821752.db2.gz AANLQTBSYKUJPI-JKSUJKDBSA-N 1 1 346.475 0.259 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073425532 789821760 /nfs/dbraw/zinc/82/17/60/789821760.db2.gz AANLQTBSYKUJPI-JKSUJKDBSA-N 1 1 346.475 0.259 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069548108 789892389 /nfs/dbraw/zinc/89/23/89/789892389.db2.gz OMFNVDDBOUIKDS-OLZOCXBDSA-N 1 1 328.420 0.513 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3ccc(C#N)nn3)C(C)(C)C2)C1 ZINC001069552647 789894632 /nfs/dbraw/zinc/89/46/32/789894632.db2.gz CWNZDLXGKAVXQB-KBPBESRZSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3ccc(C#N)nn3)C(C)(C)C2)C1 ZINC001069552647 789894638 /nfs/dbraw/zinc/89/46/38/789894638.db2.gz CWNZDLXGKAVXQB-KBPBESRZSA-N 1 1 344.419 0.328 20 30 ECEDMO Cc1nc(NC2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001069719193 789986748 /nfs/dbraw/zinc/98/67/48/789986748.db2.gz DXOLGHDJTUAJLO-UYSNPLJNSA-N 1 1 343.431 0.994 20 30 ECEDMO Cc1nc(NC2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001069719193 789986750 /nfs/dbraw/zinc/98/67/50/789986750.db2.gz DXOLGHDJTUAJLO-UYSNPLJNSA-N 1 1 343.431 0.994 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001069820471 790054461 /nfs/dbraw/zinc/05/44/61/790054461.db2.gz RERBQTBNIUPGRW-AWEZNQCLSA-N 1 1 326.404 0.553 20 30 ECEDMO C#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3CCCN3C)n2)C1 ZINC001069838122 790070089 /nfs/dbraw/zinc/07/00/89/790070089.db2.gz NYEJBOGGKTZZIC-DLBZAZTESA-N 1 1 341.459 0.594 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCc2cccc(N3CC[C@@H](NCC#N)C3)n2)C1 ZINC001069840596 790074300 /nfs/dbraw/zinc/07/43/00/790074300.db2.gz HQZDLGMBYWRBFX-GDBMZVCRSA-N 1 1 342.447 0.341 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2C1 ZINC001069861749 790114411 /nfs/dbraw/zinc/11/44/11/790114411.db2.gz GMUXNCUNKJABCC-GDBMZVCRSA-N 1 1 329.448 0.678 20 30 ECEDMO C=CCN1CCn2ncc(CNC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)c2C1 ZINC001069862039 790115019 /nfs/dbraw/zinc/11/50/19/790115019.db2.gz XFSCWRNKFOPXBG-RDJZCZTQSA-N 1 1 345.447 0.364 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864302 790119803 /nfs/dbraw/zinc/11/98/03/790119803.db2.gz IOJLEPTWPNQHNQ-RHSMWYFYSA-N 1 1 345.447 0.057 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864302 790119807 /nfs/dbraw/zinc/11/98/07/790119807.db2.gz IOJLEPTWPNQHNQ-RHSMWYFYSA-N 1 1 345.447 0.057 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCNC3=O)c2C1 ZINC001069869770 790129493 /nfs/dbraw/zinc/12/94/93/790129493.db2.gz BKGRMZKTIIMGCI-AWEZNQCLSA-N 1 1 331.420 0.417 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCNC3=O)c2C1 ZINC001069869770 790129496 /nfs/dbraw/zinc/12/94/96/790129496.db2.gz BKGRMZKTIIMGCI-AWEZNQCLSA-N 1 1 331.420 0.417 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCN(C)C3=O)c2C1 ZINC001069870359 790130970 /nfs/dbraw/zinc/13/09/70/790130970.db2.gz MQZLIADQLGDRDO-OAHLLOKOSA-N 1 1 345.447 0.759 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCN(C)C3=O)c2C1 ZINC001069870359 790130974 /nfs/dbraw/zinc/13/09/74/790130974.db2.gz MQZLIADQLGDRDO-OAHLLOKOSA-N 1 1 345.447 0.759 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)CC[N@H+]1C ZINC001069871334 790132766 /nfs/dbraw/zinc/13/27/66/790132766.db2.gz YRKFIWSBMCLXAE-KBPBESRZSA-N 1 1 330.436 0.569 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](n2ccnn2)C1 ZINC001069892717 790161173 /nfs/dbraw/zinc/16/11/73/790161173.db2.gz LVIOSFNCBMNRAA-KGLIPLIRSA-N 1 1 333.392 0.474 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cnsn2)[C@@H](n2ccnn2)C1 ZINC001069899986 790168329 /nfs/dbraw/zinc/16/83/29/790168329.db2.gz IGUXIEJJGZNNLS-OLZOCXBDSA-N 1 1 333.421 0.751 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069908455 790177129 /nfs/dbraw/zinc/17/71/29/790177129.db2.gz YDNUGFPTDZONSD-KGLIPLIRSA-N 1 1 328.376 0.610 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069908455 790177133 /nfs/dbraw/zinc/17/71/33/790177133.db2.gz YDNUGFPTDZONSD-KGLIPLIRSA-N 1 1 328.376 0.610 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)[nH]1 ZINC001069911570 790180089 /nfs/dbraw/zinc/18/00/89/790180089.db2.gz YATLSVTVUDTFCZ-KGLIPLIRSA-N 1 1 331.355 0.493 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069919390 790190615 /nfs/dbraw/zinc/19/06/15/790190615.db2.gz LQSASAVTWSSLJR-KGLIPLIRSA-N 1 1 330.396 0.121 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@@H](n2ccnn2)C1 ZINC001069937769 790211900 /nfs/dbraw/zinc/21/19/00/790211900.db2.gz MQDNMKLVXNLRPR-CVEARBPZSA-N 1 1 339.403 0.364 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@@H](n2ccnn2)C1 ZINC001069937769 790211906 /nfs/dbraw/zinc/21/19/06/790211906.db2.gz MQDNMKLVXNLRPR-CVEARBPZSA-N 1 1 339.403 0.364 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001069941844 790217972 /nfs/dbraw/zinc/21/79/72/790217972.db2.gz AUOZUIYYPJYJQR-KFWWJZLASA-N 1 1 331.424 0.018 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001069945562 790224086 /nfs/dbraw/zinc/22/40/86/790224086.db2.gz OYVSSTZQYGTXSZ-ZNMIVQPWSA-N 1 1 346.435 0.112 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccn2CC=C)[C@@H](n2ccnn2)C1 ZINC001069946355 790225373 /nfs/dbraw/zinc/22/53/73/790225373.db2.gz ROYUOQBGIQRDLF-WBVHZDCISA-N 1 1 338.415 0.944 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069947215 790226417 /nfs/dbraw/zinc/22/64/17/790226417.db2.gz QSYMTUUWGTWJPG-SJORKVTESA-N 1 1 338.415 0.914 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069947215 790226418 /nfs/dbraw/zinc/22/64/18/790226418.db2.gz QSYMTUUWGTWJPG-SJORKVTESA-N 1 1 338.415 0.914 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001069951402 790231632 /nfs/dbraw/zinc/23/16/32/790231632.db2.gz MBZQZROOJCJTPY-KFWWJZLASA-N 1 1 346.435 0.112 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H](n2ccnn2)C1 ZINC001069952575 790233983 /nfs/dbraw/zinc/23/39/83/790233983.db2.gz TZLVVFORZVCASP-CVEARBPZSA-N 1 1 349.398 0.785 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H](n2ccnn2)C1 ZINC001069952575 790233989 /nfs/dbraw/zinc/23/39/89/790233989.db2.gz TZLVVFORZVCASP-CVEARBPZSA-N 1 1 349.398 0.785 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ncc(F)cc2F)[C@@H](n2ccnn2)C1 ZINC001069959112 790241791 /nfs/dbraw/zinc/24/17/91/790241791.db2.gz DPZJFNPGSZJYEN-KGLIPLIRSA-N 1 1 346.341 0.630 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ncc(F)cc2F)[C@@H](n2ccnn2)C1 ZINC001069959112 790241793 /nfs/dbraw/zinc/24/17/93/790241793.db2.gz DPZJFNPGSZJYEN-KGLIPLIRSA-N 1 1 346.341 0.630 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068837271 791231178 /nfs/dbraw/zinc/23/11/78/791231178.db2.gz WSEMOCQWEMAXML-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068839736 791237026 /nfs/dbraw/zinc/23/70/26/791237026.db2.gz SHXZYBHSEBGKRH-BZUAXINKSA-N 1 1 347.459 0.616 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC(C)C)CO2 ZINC001068858766 791279430 /nfs/dbraw/zinc/27/94/30/791279430.db2.gz IZPBZZIBPYLLRF-OAHLLOKOSA-N 1 1 349.475 0.862 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC(C)C)CO2 ZINC001068859547 791281353 /nfs/dbraw/zinc/28/13/53/791281353.db2.gz SULUSKXQHYELGC-OAHLLOKOSA-N 1 1 335.448 0.474 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001068863238 791294625 /nfs/dbraw/zinc/29/46/25/791294625.db2.gz RUWDWXRYQLTKGK-OAHLLOKOSA-N 1 1 347.459 0.616 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001068873285 791317509 /nfs/dbraw/zinc/31/75/09/791317509.db2.gz BNCCWZGNJPCCJT-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@H+](C)C1CCC1)CO2 ZINC001068906727 791389848 /nfs/dbraw/zinc/38/98/48/791389848.db2.gz YRHIMHZMNYOLSP-HNNXBMFYSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001068916585 791413685 /nfs/dbraw/zinc/41/36/85/791413685.db2.gz NNXKMBLECSVUCD-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001068949975 791487756 /nfs/dbraw/zinc/48/77/56/791487756.db2.gz QZUCJKXTJFICHX-CQSZACIVSA-N 1 1 346.431 0.890 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2ccc(C#N)nn2)C[C@H]1C ZINC001069107110 791706901 /nfs/dbraw/zinc/70/69/01/791706901.db2.gz LIBWYLDHCIJBNB-BXUZGUMPSA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](CNc2cnc(C#N)cn2)C1 ZINC001066675813 791970261 /nfs/dbraw/zinc/97/02/61/791970261.db2.gz UFFPDOOOOANQMK-ZFWWWQNUSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNc3ccc(C#N)nc3)C2)CC[N@H+]1C ZINC001066685568 791984567 /nfs/dbraw/zinc/98/45/67/791984567.db2.gz BNPQLNRKNFFSNF-XOKHGSTOSA-N 1 1 343.431 0.933 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNc3ccncc3C#N)C2)CC[N@H+]1C ZINC001066686539 791987483 /nfs/dbraw/zinc/98/74/83/791987483.db2.gz UAPTWCKPRCTKOY-FVQBIDKESA-N 1 1 343.431 0.355 20 30 ECEDMO C[C@H]1C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066699544 792025066 /nfs/dbraw/zinc/02/50/66/792025066.db2.gz AUCIJDUDMISVNR-BPUTZDHNSA-N 1 1 340.431 0.727 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001066736740 792071736 /nfs/dbraw/zinc/07/17/36/792071736.db2.gz VHHBCEVHNXUXGZ-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001066736740 792071743 /nfs/dbraw/zinc/07/17/43/792071743.db2.gz VHHBCEVHNXUXGZ-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1ncc[nH]1 ZINC001067709269 792165395 /nfs/dbraw/zinc/16/53/95/792165395.db2.gz GNJZFMDNGCZJGU-HNNXBMFYSA-N 1 1 345.447 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1ncc[nH]1 ZINC001067709269 792165400 /nfs/dbraw/zinc/16/54/00/792165400.db2.gz GNJZFMDNGCZJGU-HNNXBMFYSA-N 1 1 345.447 0.357 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CSCC#N)CC[N@H+]1C ZINC001066873398 792246095 /nfs/dbraw/zinc/24/60/95/792246095.db2.gz NGZVSOVYOSPDIW-ZIAGYGMSSA-N 1 1 340.493 0.890 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2ncccc2C#N)C1 ZINC001066891540 792296087 /nfs/dbraw/zinc/29/60/87/792296087.db2.gz ZSDOZBCSLSJWKJ-YJBOKZPZSA-N 1 1 343.431 0.813 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC2CC(CNc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001067882000 792419006 /nfs/dbraw/zinc/41/90/06/792419006.db2.gz KBNALDRMFGBPJY-LQULJDIASA-N 1 1 342.447 0.807 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001067001040 792544134 /nfs/dbraw/zinc/54/41/34/792544134.db2.gz KEMWFQKCZBYMRB-CABCVRRESA-N 1 1 325.453 0.694 20 30 ECEDMO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001067080128 792676013 /nfs/dbraw/zinc/67/60/13/792676013.db2.gz KEYXHDPKJUCTLG-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001067080128 792676019 /nfs/dbraw/zinc/67/60/19/792676019.db2.gz KEYXHDPKJUCTLG-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC1(C)C ZINC001068112542 792691903 /nfs/dbraw/zinc/69/19/03/792691903.db2.gz VCWZSERWPRRAGF-ZDUSSCGKSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001067167213 792770373 /nfs/dbraw/zinc/77/03/73/792770373.db2.gz VAORIBONLXDLDJ-RISCZKNCSA-N 1 1 325.376 0.812 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001067427327 793140663 /nfs/dbraw/zinc/14/06/63/793140663.db2.gz SDGDODNVBBXABQ-APWZRJJASA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068383462 793164711 /nfs/dbraw/zinc/16/47/11/793164711.db2.gz ROTVUDQECOQBCT-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C#CC(C)(C)C)CCO2 ZINC001068395553 793203842 /nfs/dbraw/zinc/20/38/42/793203842.db2.gz FRSDGRJNDXRAIR-UHFFFAOYSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001068398844 793215170 /nfs/dbraw/zinc/21/51/70/793215170.db2.gz HAXWVMCHVDBRFW-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2cn(CCOC)nn2)C1 ZINC001267460513 837448503 /nfs/dbraw/zinc/44/85/03/837448503.db2.gz WGVKAPJADUUSCT-HNNXBMFYSA-N 1 1 333.436 0.874 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cn(CCOC)nn2)C1 ZINC001267460513 837448507 /nfs/dbraw/zinc/44/85/07/837448507.db2.gz WGVKAPJADUUSCT-HNNXBMFYSA-N 1 1 333.436 0.874 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001267487089 837549127 /nfs/dbraw/zinc/54/91/27/837549127.db2.gz AJYDRNMFCKDUBG-RDJZCZTQSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)COC2CCCC2)C1 ZINC001267509702 837599478 /nfs/dbraw/zinc/59/94/78/837599478.db2.gz UTYHRZTXRSZBDC-OAHLLOKOSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2cc(C)on2)C1 ZINC001267514197 837607022 /nfs/dbraw/zinc/60/70/22/837607022.db2.gz TVAIVXDMGTZZLF-CQSZACIVSA-N 1 1 332.404 0.103 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC2(F)F)C1 ZINC001267536331 837716328 /nfs/dbraw/zinc/71/63/28/837716328.db2.gz QWUXHEJOTHDKDV-VXGBXAGGSA-N 1 1 328.363 0.500 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CCC)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267541379 837727644 /nfs/dbraw/zinc/72/76/44/837727644.db2.gz ZTOUEKDELDIYNK-MAUKXSAKSA-N 1 1 337.464 0.905 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001267541379 837727653 /nfs/dbraw/zinc/72/76/53/837727653.db2.gz ZTOUEKDELDIYNK-MAUKXSAKSA-N 1 1 337.464 0.905 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001267541844 837729389 /nfs/dbraw/zinc/72/93/89/837729389.db2.gz JLCHRULVCGBZGZ-UONOGXRCSA-N 1 1 329.466 0.260 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001267541844 837729395 /nfs/dbraw/zinc/72/93/95/837729395.db2.gz JLCHRULVCGBZGZ-UONOGXRCSA-N 1 1 329.466 0.260 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CCNC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001267543501 837731075 /nfs/dbraw/zinc/73/10/75/837731075.db2.gz DIPGLQQFXQFUGY-MAUKXSAKSA-N 1 1 337.464 0.934 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CCNC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001267544104 837731944 /nfs/dbraw/zinc/73/19/44/837731944.db2.gz IXURBUHPWWZQCT-CQSZACIVSA-N 1 1 328.416 0.575 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cc(F)c[nH]2)C1 ZINC001267552289 837757179 /nfs/dbraw/zinc/75/71/79/837757179.db2.gz MBLVOHKFODXLOM-OLZOCXBDSA-N 1 1 334.395 0.734 20 30 ECEDMO Cc1cnccc1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267554751 837760029 /nfs/dbraw/zinc/76/00/29/837760029.db2.gz BMOKIIDXDFQKLJ-CQSZACIVSA-N 1 1 329.404 0.472 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)CCc2ccoc2)C1 ZINC001267554398 837760830 /nfs/dbraw/zinc/76/08/30/837760830.db2.gz SWAFYZHHOPWZQE-AWEZNQCLSA-N 1 1 332.404 0.680 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C#CC2CC2)C1 ZINC001267556843 837764511 /nfs/dbraw/zinc/76/45/11/837764511.db2.gz VGWSEXJCCVIYBP-OAHLLOKOSA-N 1 1 346.431 0.240 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](CCNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001267559515 837768856 /nfs/dbraw/zinc/76/88/56/837768856.db2.gz WFNOCUGBPKHWLH-ZDUSSCGKSA-N 1 1 344.419 0.997 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2ccoc2CC(N)=O)C1 ZINC001267560917 837771132 /nfs/dbraw/zinc/77/11/32/837771132.db2.gz CINUMKLCAVEZLW-CQSZACIVSA-N 1 1 347.415 0.399 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccnnc2C)C1 ZINC001267560720 837771354 /nfs/dbraw/zinc/77/13/54/837771354.db2.gz MCONAFRANZMNNY-GJZGRUSLSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc(COC)o2)C1 ZINC001267560710 837771893 /nfs/dbraw/zinc/77/18/93/837771893.db2.gz LUGAQAIQHXWGPU-AWEZNQCLSA-N 1 1 347.415 0.617 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001267561900 837773502 /nfs/dbraw/zinc/77/35/02/837773502.db2.gz RQKCAERHRBSCES-WBVHZDCISA-N 1 1 325.412 0.998 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cnn(CC)c2C)C1 ZINC001267568832 837792402 /nfs/dbraw/zinc/79/24/02/837792402.db2.gz MFFNXUPZDFXYHF-HNNXBMFYSA-N 1 1 347.463 0.955 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001267577091 837834336 /nfs/dbraw/zinc/83/43/36/837834336.db2.gz GBHDAOHDZGCGLV-STQMWFEESA-N 1 1 347.419 0.267 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)CCc2cncs2)C1 ZINC001267576499 837831712 /nfs/dbraw/zinc/83/17/12/837831712.db2.gz SGQXWXFAYWSUOG-CQSZACIVSA-N 1 1 348.472 0.653 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001267577090 837834071 /nfs/dbraw/zinc/83/40/71/837834071.db2.gz GBHDAOHDZGCGLV-QWHCGFSZSA-N 1 1 347.419 0.267 20 30 ECEDMO C=C(C)CN1CC[NH+](CCCNC(=O)[C@@]2(CC)CCNC2=O)CC1 ZINC001266265203 835579864 /nfs/dbraw/zinc/57/98/64/835579864.db2.gz ZFWGAMCXDWORFG-GOSISDBHSA-N 1 1 336.480 0.603 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)[C@@H]2CCN(C)C(=O)C2)CC1 ZINC001266266766 835581455 /nfs/dbraw/zinc/58/14/55/835581455.db2.gz BZNCAOSXTHTYSZ-MRXNPFEDSA-N 1 1 334.464 0.002 20 30 ECEDMO C[C@H]1CCc2nc(C(=O)NCCC[NH+]3CCN(CC#N)CC3)cn2C1 ZINC001266267076 835583530 /nfs/dbraw/zinc/58/35/30/835583530.db2.gz MZRHQJPVFOVWEY-HNNXBMFYSA-N 1 1 344.463 0.726 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCCC[NH+]1CCN(C[C@@H](C)O)CC1 ZINC001266277696 835603325 /nfs/dbraw/zinc/60/33/25/835603325.db2.gz MQYDTUUNQNHHTO-QGZVFWFLSA-N 1 1 343.471 0.715 20 30 ECEDMO C#CCCN1CCN(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001266297916 835650107 /nfs/dbraw/zinc/65/01/07/835650107.db2.gz XMQXHNLGULSFAW-ROUUACIJSA-N 1 1 334.508 0.864 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001266310852 835677905 /nfs/dbraw/zinc/67/79/05/835677905.db2.gz MNCUOKVTQRMWIA-JKSUJKDBSA-N 1 1 335.448 0.804 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001266310852 835677908 /nfs/dbraw/zinc/67/79/08/835677908.db2.gz MNCUOKVTQRMWIA-JKSUJKDBSA-N 1 1 335.448 0.804 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC001266316519 835685120 /nfs/dbraw/zinc/68/51/20/835685120.db2.gz FDKNTLDVFSQSCH-GUYCJALGSA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC001266316519 835685122 /nfs/dbraw/zinc/68/51/22/835685122.db2.gz FDKNTLDVFSQSCH-GUYCJALGSA-N 1 1 325.453 0.809 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001266319468 835689160 /nfs/dbraw/zinc/68/91/60/835689160.db2.gz MJMGYCXJCVUDHB-HUUCEWRRSA-N 1 1 342.443 0.994 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001266319468 835689162 /nfs/dbraw/zinc/68/91/62/835689162.db2.gz MJMGYCXJCVUDHB-HUUCEWRRSA-N 1 1 342.443 0.994 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266320933 835693066 /nfs/dbraw/zinc/69/30/66/835693066.db2.gz JBALOAFCXSWXGY-GJZGRUSLSA-N 1 1 347.463 0.889 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@H+](C)C[C@H](O)CC(F)(F)F)nn1 ZINC001266335509 835718768 /nfs/dbraw/zinc/71/87/68/835718768.db2.gz YNBHAAKHEVBGSF-SNVBAGLBSA-N 1 1 335.330 0.439 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn(CCC)c1C ZINC001266342961 835730360 /nfs/dbraw/zinc/73/03/60/835730360.db2.gz ZNRADNXIZOKBEM-CQSZACIVSA-N 1 1 333.436 0.401 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnn(CCC)c1C ZINC001266342961 835730365 /nfs/dbraw/zinc/73/03/65/835730365.db2.gz ZNRADNXIZOKBEM-CQSZACIVSA-N 1 1 333.436 0.401 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC001266358630 835765285 /nfs/dbraw/zinc/76/52/85/835765285.db2.gz FSSYKKHUZVZSHE-DGCLKSJQSA-N 1 1 336.461 0.875 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC001266358630 835765291 /nfs/dbraw/zinc/76/52/91/835765291.db2.gz FSSYKKHUZVZSHE-DGCLKSJQSA-N 1 1 336.461 0.875 20 30 ECEDMO O=C(CC#Cc1ccccc1)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001266361669 835771630 /nfs/dbraw/zinc/77/16/30/835771630.db2.gz PZQLCKOISRPEBT-KRWDZBQOSA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(CC#Cc1ccccc1)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001266361669 835771639 /nfs/dbraw/zinc/77/16/39/835771639.db2.gz PZQLCKOISRPEBT-KRWDZBQOSA-N 1 1 325.412 0.897 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001266363001 835773170 /nfs/dbraw/zinc/77/31/70/835773170.db2.gz BLYOXJYMLHUGMQ-BBRMVZONSA-N 1 1 332.448 0.981 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001266363001 835773178 /nfs/dbraw/zinc/77/31/78/835773178.db2.gz BLYOXJYMLHUGMQ-BBRMVZONSA-N 1 1 332.448 0.981 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)CCc2ccoc2)CC1 ZINC001266369003 835781353 /nfs/dbraw/zinc/78/13/53/835781353.db2.gz PJVHOVFHIRLTLN-OAHLLOKOSA-N 1 1 344.415 0.823 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](CNC(=O)c1[nH]nc2c1CCC2)C1CC1 ZINC001266419097 835823352 /nfs/dbraw/zinc/82/33/52/835823352.db2.gz WODAZTDTEZEKHY-CQSZACIVSA-N 1 1 331.420 0.299 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)C(C)(C)NC(C)=O)C1=O ZINC001266422504 835826418 /nfs/dbraw/zinc/82/64/18/835826418.db2.gz FADCYFGXWYUXSG-AWEZNQCLSA-N 1 1 338.452 0.126 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ccc2ccn(C)c2c1)CC(=O)NCC#N ZINC001266429135 835833404 /nfs/dbraw/zinc/83/34/04/835833404.db2.gz YPWAUYCMOCQLOT-UHFFFAOYSA-N 1 1 341.415 0.870 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ccc2ccn(C)c2c1)CC(=O)NCC#N ZINC001266429135 835833409 /nfs/dbraw/zinc/83/34/09/835833409.db2.gz YPWAUYCMOCQLOT-UHFFFAOYSA-N 1 1 341.415 0.870 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2nccc(C)n2)C1 ZINC001266456089 835859531 /nfs/dbraw/zinc/85/95/31/835859531.db2.gz QLHZARVEICQSMX-OAHLLOKOSA-N 1 1 343.431 0.318 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]cn1 ZINC001266467619 835868922 /nfs/dbraw/zinc/86/89/22/835868922.db2.gz ABTNJWIJENIIGS-HIFRSBDPSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]cn1 ZINC001266467619 835868929 /nfs/dbraw/zinc/86/89/29/835868929.db2.gz ABTNJWIJENIIGS-HIFRSBDPSA-N 1 1 331.420 0.061 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001266469077 835871031 /nfs/dbraw/zinc/87/10/31/835871031.db2.gz DROJFXICTZHJAI-CQSZACIVSA-N 1 1 346.497 0.129 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)Cn2nccc2C)C1=O ZINC001266483259 835882653 /nfs/dbraw/zinc/88/26/53/835882653.db2.gz RPPQPHAEPTUVAZ-HOTGVXAUSA-N 1 1 345.447 0.559 20 30 ECEDMO CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266515076 835926070 /nfs/dbraw/zinc/92/60/70/835926070.db2.gz ZBMQCMNZQLRXDD-LBPRGKRZSA-N 1 1 346.435 0.399 20 30 ECEDMO CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266515076 835926077 /nfs/dbraw/zinc/92/60/77/835926077.db2.gz ZBMQCMNZQLRXDD-LBPRGKRZSA-N 1 1 346.435 0.399 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001266520012 835932151 /nfs/dbraw/zinc/93/21/51/835932151.db2.gz DCSPBTRJVLSSES-AWEZNQCLSA-N 1 1 338.411 0.969 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC001266520819 835934240 /nfs/dbraw/zinc/93/42/40/835934240.db2.gz UKHYGHFGUAHZAG-AWEZNQCLSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](CNC(=O)c2cccc3ncnn32)C1 ZINC001266520848 835934306 /nfs/dbraw/zinc/93/43/06/835934306.db2.gz UUAXBHADMPSTNC-CQSZACIVSA-N 1 1 329.404 0.984 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(COC)CCC2)C1 ZINC001266523438 835938809 /nfs/dbraw/zinc/93/88/09/835938809.db2.gz NPMFQSZQSHXUKS-GJZGRUSLSA-N 1 1 335.448 0.379 20 30 ECEDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)ccc1F ZINC001266528629 835944275 /nfs/dbraw/zinc/94/42/75/835944275.db2.gz UNEVXBYXBAOPRH-ZDUSSCGKSA-N 1 1 332.379 0.826 20 30 ECEDMO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)ccc1F ZINC001266528629 835944282 /nfs/dbraw/zinc/94/42/82/835944282.db2.gz UNEVXBYXBAOPRH-ZDUSSCGKSA-N 1 1 332.379 0.826 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH]cnc32)C1 ZINC001266540012 835962106 /nfs/dbraw/zinc/96/21/06/835962106.db2.gz NDUXWKCYOOXMPU-ZDUSSCGKSA-N 1 1 341.415 0.917 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)CCCC)C1 ZINC001266544575 835965374 /nfs/dbraw/zinc/96/53/74/835965374.db2.gz DLYAERWSGLZXHQ-AWEZNQCLSA-N 1 1 329.466 0.167 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 ZINC001266544396 835965720 /nfs/dbraw/zinc/96/57/20/835965720.db2.gz ANIFXJADYWYIIE-KGLIPLIRSA-N 1 1 340.468 0.710 20 30 ECEDMO CCc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cc1 ZINC001266545768 835967374 /nfs/dbraw/zinc/96/73/74/835967374.db2.gz QRLFSYWFLAPLKR-HNNXBMFYSA-N 1 1 328.416 0.940 20 30 ECEDMO CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cc1 ZINC001266545768 835967379 /nfs/dbraw/zinc/96/73/79/835967379.db2.gz QRLFSYWFLAPLKR-HNNXBMFYSA-N 1 1 328.416 0.940 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CNC(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001266548997 835972201 /nfs/dbraw/zinc/97/22/01/835972201.db2.gz LQZZROCIWRKFRA-OAHLLOKOSA-N 1 1 348.447 0.982 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001266572925 836002777 /nfs/dbraw/zinc/00/27/77/836002777.db2.gz AWZSNGYOOZLBAV-FPCVCCKLSA-N 1 1 335.448 0.520 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCCO ZINC001266647779 836083123 /nfs/dbraw/zinc/08/31/23/836083123.db2.gz BFXUSOUIFUGWRX-UCMJJCQDSA-N 1 1 326.437 0.434 20 30 ECEDMO CCCOCC(=O)N1CCC[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266658761 836095243 /nfs/dbraw/zinc/09/52/43/836095243.db2.gz IHDKEADGBPADQR-HUUCEWRRSA-N 1 1 336.436 0.366 20 30 ECEDMO CCCOCC(=O)N1CCC[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266658761 836095255 /nfs/dbraw/zinc/09/52/55/836095255.db2.gz IHDKEADGBPADQR-HUUCEWRRSA-N 1 1 336.436 0.366 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC(F)F)C1 ZINC001266659394 836096715 /nfs/dbraw/zinc/09/67/15/836096715.db2.gz OLXQYKYAXUBUAQ-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cocn2)C1 ZINC001266660047 836097671 /nfs/dbraw/zinc/09/76/71/836097671.db2.gz UJWWORTWARITAG-DZGCQCFKSA-N 1 1 332.404 0.903 20 30 ECEDMO C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001266662992 836099945 /nfs/dbraw/zinc/09/99/45/836099945.db2.gz KRQSJXIELNXSBT-LSDHHAIUSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ncccn2)C1 ZINC001266664145 836101675 /nfs/dbraw/zinc/10/16/75/836101675.db2.gz VSZAPRVWMWGYNP-HUUCEWRRSA-N 1 1 341.415 0.153 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001266706056 836173615 /nfs/dbraw/zinc/17/36/15/836173615.db2.gz AYVYFFPHUQNKLY-LLVKDONJSA-N 1 1 330.392 0.310 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001266748928 836237823 /nfs/dbraw/zinc/23/78/23/836237823.db2.gz BGSXTGSLTLYTDU-LSDHHAIUSA-N 1 1 330.432 0.903 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC001266749570 836238361 /nfs/dbraw/zinc/23/83/61/836238361.db2.gz JNLFVXMGBBQWEZ-CVEARBPZSA-N 1 1 332.448 0.829 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001266751060 836242181 /nfs/dbraw/zinc/24/21/81/836242181.db2.gz BBRGSVXFEDADSQ-SJORKVTESA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266751060 836242188 /nfs/dbraw/zinc/24/21/88/836242188.db2.gz BBRGSVXFEDADSQ-SJORKVTESA-N 1 1 348.491 0.438 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266751185 836242632 /nfs/dbraw/zinc/24/26/32/836242632.db2.gz CTJBHCQKANZHGE-HOTGVXAUSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266751185 836242643 /nfs/dbraw/zinc/24/26/43/836242643.db2.gz CTJBHCQKANZHGE-HOTGVXAUSA-N 1 1 336.480 0.601 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(C)C ZINC001266840345 836366165 /nfs/dbraw/zinc/36/61/65/836366165.db2.gz SJRSQWIZRZOKIH-WMLDXEAASA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(C)C ZINC001266840345 836366172 /nfs/dbraw/zinc/36/61/72/836366172.db2.gz SJRSQWIZRZOKIH-WMLDXEAASA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC ZINC001266848890 836378103 /nfs/dbraw/zinc/37/81/03/836378103.db2.gz HSUSRHZOFNNTHQ-RHSMWYFYSA-N 1 1 325.453 0.932 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC ZINC001266848890 836378116 /nfs/dbraw/zinc/37/81/16/836378116.db2.gz HSUSRHZOFNNTHQ-RHSMWYFYSA-N 1 1 325.453 0.932 20 30 ECEDMO C#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266853916 836386485 /nfs/dbraw/zinc/38/64/85/836386485.db2.gz WISYPELLGDBECX-YESZJQIVSA-N 1 1 348.491 0.437 20 30 ECEDMO C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001266890613 836440167 /nfs/dbraw/zinc/44/01/67/836440167.db2.gz KUAVNVABQPFROB-DOTOQJQBSA-N 1 1 347.459 0.475 20 30 ECEDMO C[C@H](NC(=O)COCC1CC1)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266894474 836443855 /nfs/dbraw/zinc/44/38/55/836443855.db2.gz ZLSMLBZXUBSLOT-DZGCQCFKSA-N 1 1 336.436 0.269 20 30 ECEDMO C[C@H](NC(=O)COCC1CC1)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266894474 836443863 /nfs/dbraw/zinc/44/38/63/836443863.db2.gz ZLSMLBZXUBSLOT-DZGCQCFKSA-N 1 1 336.436 0.269 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266894638 836444092 /nfs/dbraw/zinc/44/40/92/836444092.db2.gz WKPNAHUPOHGUNT-JSGCOSHPSA-N 1 1 342.403 0.356 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266894638 836444094 /nfs/dbraw/zinc/44/40/94/836444094.db2.gz WKPNAHUPOHGUNT-JSGCOSHPSA-N 1 1 342.403 0.356 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2cc[nH]n2)C1 ZINC001266895005 836444962 /nfs/dbraw/zinc/44/49/62/836444962.db2.gz YJQUOEZHICATQV-KBPBESRZSA-N 1 1 333.436 0.471 20 30 ECEDMO C[C@H](NC(=O)c1ccc(F)nc1)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266894382 836445229 /nfs/dbraw/zinc/44/52/29/836445229.db2.gz VCERJSDJGAGECT-GXTWGEPZSA-N 1 1 347.394 0.691 20 30 ECEDMO C[C@H](NC(=O)c1ccc(F)nc1)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266894382 836445236 /nfs/dbraw/zinc/44/52/36/836445236.db2.gz VCERJSDJGAGECT-GXTWGEPZSA-N 1 1 347.394 0.691 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001266898358 836450708 /nfs/dbraw/zinc/45/07/08/836450708.db2.gz VHBOGSLSUPITQO-CVEARBPZSA-N 1 1 334.464 0.048 20 30 ECEDMO C=C(C)[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)OCC ZINC001266901152 836455191 /nfs/dbraw/zinc/45/51/91/836455191.db2.gz ADMCQCCLFLMCID-NMNMXBMNSA-N 1 1 335.448 0.635 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001266902970 836457530 /nfs/dbraw/zinc/45/75/30/836457530.db2.gz SOVYEBBAYQYGLX-BCDMZGRMSA-N 1 1 343.471 0.999 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001266902970 836457535 /nfs/dbraw/zinc/45/75/35/836457535.db2.gz SOVYEBBAYQYGLX-BCDMZGRMSA-N 1 1 343.471 0.999 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCOC1 ZINC001266905028 836462357 /nfs/dbraw/zinc/46/23/57/836462357.db2.gz YLCIPMIYOVDEJI-LVNYTYFRSA-N 1 1 335.448 0.540 20 30 ECEDMO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001267001584 836592639 /nfs/dbraw/zinc/59/26/39/836592639.db2.gz SRQLXYQBUUETBQ-CVEARBPZSA-N 1 1 334.464 0.048 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001267030613 836651806 /nfs/dbraw/zinc/65/18/06/836651806.db2.gz NVJHCYMAKUTAJG-CQSZACIVSA-N 1 1 331.420 0.662 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001267086919 836735624 /nfs/dbraw/zinc/73/56/24/836735624.db2.gz CFWKRHYFASMSRQ-KBPBESRZSA-N 1 1 346.435 0.636 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001267086919 836735635 /nfs/dbraw/zinc/73/56/35/836735635.db2.gz CFWKRHYFASMSRQ-KBPBESRZSA-N 1 1 346.435 0.636 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2ccnn2CC)C1 ZINC001267104798 836781170 /nfs/dbraw/zinc/78/11/70/836781170.db2.gz FSXIRLHWSZRIDD-HUUCEWRRSA-N 1 1 345.447 0.577 20 30 ECEDMO C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3nnnn3c2)C1 ZINC001267108548 836790689 /nfs/dbraw/zinc/79/06/89/836790689.db2.gz QMRUNQUIUNODFR-OAHLLOKOSA-N 1 1 344.419 0.863 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccnc(OC)n2)C1 ZINC001267108248 836791466 /nfs/dbraw/zinc/79/14/66/836791466.db2.gz NKXGQBBJBSUEPD-CYBMUJFWSA-N 1 1 347.419 0.324 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccnc(OC)n2)C1 ZINC001267108248 836791469 /nfs/dbraw/zinc/79/14/69/836791469.db2.gz NKXGQBBJBSUEPD-CYBMUJFWSA-N 1 1 347.419 0.324 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CCNS(C)(=O)=O)C1 ZINC001267109370 836793263 /nfs/dbraw/zinc/79/32/63/836793263.db2.gz UVBTUEDYRQGLIA-ZDUSSCGKSA-N 1 1 331.482 0.671 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001267109370 836793271 /nfs/dbraw/zinc/79/32/71/836793271.db2.gz UVBTUEDYRQGLIA-ZDUSSCGKSA-N 1 1 331.482 0.671 20 30 ECEDMO C=CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001267109413 836793343 /nfs/dbraw/zinc/79/33/43/836793343.db2.gz YJOONLZVCZBQLB-GJZGRUSLSA-N 1 1 344.477 0.547 20 30 ECEDMO C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001267109413 836793351 /nfs/dbraw/zinc/79/33/51/836793351.db2.gz YJOONLZVCZBQLB-GJZGRUSLSA-N 1 1 344.477 0.547 20 30 ECEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001267115800 836809932 /nfs/dbraw/zinc/80/99/32/836809932.db2.gz ZOFHCOAZCNDFQB-GDBMZVCRSA-N 1 1 341.477 0.404 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCC[C@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001267163082 836880006 /nfs/dbraw/zinc/88/00/06/836880006.db2.gz LRQOMIIJEDAUOB-JSGCOSHPSA-N 1 1 349.435 0.495 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CS(=O)(=O)N(C)C ZINC001267178578 836923746 /nfs/dbraw/zinc/92/37/46/836923746.db2.gz CINZULRKOIJRBU-AWEZNQCLSA-N 1 1 331.482 0.815 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001267199752 836969651 /nfs/dbraw/zinc/96/96/51/836969651.db2.gz VKCSPFNROOBTEK-NSHDSACASA-N 1 1 342.403 0.066 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001267199752 836969658 /nfs/dbraw/zinc/96/96/58/836969658.db2.gz VKCSPFNROOBTEK-NSHDSACASA-N 1 1 342.403 0.066 20 30 ECEDMO C[N@@H+](CCNC(=O)c1ccc2nnnn2c1)Cc1ccc(C#N)cc1 ZINC001267206899 836988926 /nfs/dbraw/zinc/98/89/26/836988926.db2.gz URNXCRBHQHXPOM-UHFFFAOYSA-N 1 1 335.371 0.858 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001267210345 836996419 /nfs/dbraw/zinc/99/64/19/836996419.db2.gz CZXFBVZYOLAHIR-KGLIPLIRSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001267210345 836996426 /nfs/dbraw/zinc/99/64/26/836996426.db2.gz CZXFBVZYOLAHIR-KGLIPLIRSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnc2cccnn21 ZINC001267220503 837012316 /nfs/dbraw/zinc/01/23/16/837012316.db2.gz VBALRDLCRBOZIC-GFCCVEGCSA-N 1 1 330.392 0.082 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnc2cccnn21 ZINC001267220503 837012328 /nfs/dbraw/zinc/01/23/28/837012328.db2.gz VBALRDLCRBOZIC-GFCCVEGCSA-N 1 1 330.392 0.082 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](OC)C1CCCCC1 ZINC001267234870 837041636 /nfs/dbraw/zinc/04/16/36/837041636.db2.gz RBBYUMSIAFNTJR-GDBMZVCRSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H](OC)C1CCCCC1 ZINC001267234870 837041642 /nfs/dbraw/zinc/04/16/42/837041642.db2.gz RBBYUMSIAFNTJR-GDBMZVCRSA-N 1 1 337.464 0.768 20 30 ECEDMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCCNC(=O)[C@@H](C)C#N)C(C)C ZINC001267239967 837047366 /nfs/dbraw/zinc/04/73/66/837047366.db2.gz WICHSZGOEPALOT-QWHCGFSZSA-N 1 1 339.440 0.597 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc(C(C)(C)C)on1 ZINC001267244870 837057203 /nfs/dbraw/zinc/05/72/03/837057203.db2.gz UFKURZHRVDCYAE-UHFFFAOYSA-N 1 1 334.420 0.773 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc(C(C)(C)C)on1 ZINC001267244870 837057212 /nfs/dbraw/zinc/05/72/12/837057212.db2.gz UFKURZHRVDCYAE-UHFFFAOYSA-N 1 1 334.420 0.773 20 30 ECEDMO CC[N@H+](CCNC(=O)C(C)(C)c1cccnc1)CC(=O)NCC#N ZINC001267245901 837059845 /nfs/dbraw/zinc/05/98/45/837059845.db2.gz WEIHQUGCAMZCMM-UHFFFAOYSA-N 1 1 331.420 0.437 20 30 ECEDMO CC[N@@H+](CCNC(=O)C(C)(C)c1cccnc1)CC(=O)NCC#N ZINC001267245901 837059851 /nfs/dbraw/zinc/05/98/51/837059851.db2.gz WEIHQUGCAMZCMM-UHFFFAOYSA-N 1 1 331.420 0.437 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001267246473 837061081 /nfs/dbraw/zinc/06/10/81/837061081.db2.gz ARWILAGMOWGDTN-KGLIPLIRSA-N 1 1 338.452 0.032 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001267246473 837061090 /nfs/dbraw/zinc/06/10/90/837061090.db2.gz ARWILAGMOWGDTN-KGLIPLIRSA-N 1 1 338.452 0.032 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cc2ccsc2[nH]1)CC(=O)NCC#N ZINC001267247724 837064087 /nfs/dbraw/zinc/06/40/87/837064087.db2.gz TVWJCKNHONFVRR-UHFFFAOYSA-N 1 1 333.417 0.921 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cc2ccsc2[nH]1)CC(=O)NCC#N ZINC001267247724 837064096 /nfs/dbraw/zinc/06/40/96/837064096.db2.gz TVWJCKNHONFVRR-UHFFFAOYSA-N 1 1 333.417 0.921 20 30 ECEDMO CC[N@H+](CCNC(=O)c1c(F)ccc(F)c1F)CC(=O)NCC#N ZINC001267249330 837065918 /nfs/dbraw/zinc/06/59/18/837065918.db2.gz UEIZBSATKPYEGP-UHFFFAOYSA-N 1 1 342.321 0.795 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1c(F)ccc(F)c1F)CC(=O)NCC#N ZINC001267249330 837065923 /nfs/dbraw/zinc/06/59/23/837065923.db2.gz UEIZBSATKPYEGP-UHFFFAOYSA-N 1 1 342.321 0.795 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccn(C)c(=O)c1 ZINC001267250594 837068853 /nfs/dbraw/zinc/06/88/53/837068853.db2.gz RDQQQARMSGFYII-CVEARBPZSA-N 1 1 333.432 0.915 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001267256268 837079526 /nfs/dbraw/zinc/07/95/26/837079526.db2.gz PGXAWHCZCQGASY-UHFFFAOYSA-N 1 1 331.416 0.977 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CCC[N@H+]1C[C@H](C)CS(C)(=O)=O ZINC001267265912 837101436 /nfs/dbraw/zinc/10/14/36/837101436.db2.gz CEROEICAUPLEJF-LSDHHAIUSA-N 1 1 328.478 0.907 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CCC[N@@H+]1C[C@H](C)CS(C)(=O)=O ZINC001267265912 837101442 /nfs/dbraw/zinc/10/14/42/837101442.db2.gz CEROEICAUPLEJF-LSDHHAIUSA-N 1 1 328.478 0.907 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001267285883 837137115 /nfs/dbraw/zinc/13/71/15/837137115.db2.gz QABWDRGYPCGWJZ-STQMWFEESA-N 1 1 347.419 0.467 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267296993 837156834 /nfs/dbraw/zinc/15/68/34/837156834.db2.gz YYWKYLPDOLMUAT-HOTGVXAUSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267296993 837156840 /nfs/dbraw/zinc/15/68/40/837156840.db2.gz YYWKYLPDOLMUAT-HOTGVXAUSA-N 1 1 336.480 0.601 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001267298534 837162756 /nfs/dbraw/zinc/16/27/56/837162756.db2.gz OPLRMDUIJCMLDF-QWHCGFSZSA-N 1 1 349.456 0.946 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2ccccc2F)C1 ZINC001267305684 837174193 /nfs/dbraw/zinc/17/41/93/837174193.db2.gz MVTQUPKKAPGZAU-HUUCEWRRSA-N 1 1 345.418 0.944 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)c2cccnc2N(C)C)C1 ZINC001267305696 837174843 /nfs/dbraw/zinc/17/48/43/837174843.db2.gz NBPYZSSNJVIUDV-HNNXBMFYSA-N 1 1 330.432 0.849 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001267308580 837183004 /nfs/dbraw/zinc/18/30/04/837183004.db2.gz BWQBOXXIIWOWGZ-JKSUJKDBSA-N 1 1 325.453 0.348 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccc3c2CCC3)C1 ZINC001267308632 837183294 /nfs/dbraw/zinc/18/32/94/837183294.db2.gz CTCKLFGYEPMKSU-OAHLLOKOSA-N 1 1 339.439 0.976 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)c1cccc(=O)[nH]1 ZINC001267312410 837187610 /nfs/dbraw/zinc/18/76/10/837187610.db2.gz ZQPOTQVVGKAVKV-ZDUSSCGKSA-N 1 1 332.404 0.367 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001267314412 837189364 /nfs/dbraw/zinc/18/93/64/837189364.db2.gz IDXIQOWURNXNMK-YESZJQIVSA-N 1 1 338.448 0.516 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1c(F)cncc1F)C1CC1 ZINC001267326273 837203983 /nfs/dbraw/zinc/20/39/83/837203983.db2.gz PCEIEDDXAGFYGI-UHFFFAOYSA-N 1 1 336.342 0.303 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1c(F)cncc1F)C1CC1 ZINC001267326273 837203993 /nfs/dbraw/zinc/20/39/93/837203993.db2.gz PCEIEDDXAGFYGI-UHFFFAOYSA-N 1 1 336.342 0.303 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)CCNC(=O)C(C)(C)C)C1CC1 ZINC001267330958 837212663 /nfs/dbraw/zinc/21/26/63/837212663.db2.gz TYVYVSIHOSWTIF-UHFFFAOYSA-N 1 1 337.464 0.769 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001267578020 837835624 /nfs/dbraw/zinc/83/56/24/837835624.db2.gz VFJOQOUUAXKBSE-QGZVFWFLSA-N 1 1 338.415 0.505 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001267579378 837836620 /nfs/dbraw/zinc/83/66/20/837836620.db2.gz FJTIOCQIGNFXOP-AWEZNQCLSA-N 1 1 338.452 0.067 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC001267580496 837842073 /nfs/dbraw/zinc/84/20/73/837842073.db2.gz XPLRJAVPMCXVRF-GJZGRUSLSA-N 1 1 330.432 0.855 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001267581098 837844816 /nfs/dbraw/zinc/84/48/16/837844816.db2.gz IWCVGEQEGYBOEN-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H]2CCNC(=O)CC2)C1 ZINC001267582440 837846512 /nfs/dbraw/zinc/84/65/12/837846512.db2.gz ITAIVCWYBRICBW-IRXDYDNUSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001267582040 837847299 /nfs/dbraw/zinc/84/72/99/837847299.db2.gz VFURRUWPVTXOIM-KGLIPLIRSA-N 1 1 341.415 0.418 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2coc(CC)n2)C1 ZINC001267581907 837847884 /nfs/dbraw/zinc/84/78/84/837847884.db2.gz UKDYOZXFPSNBTB-ZDUSSCGKSA-N 1 1 334.420 0.933 20 30 ECEDMO C=CC[N@H+]1CC[C@H](CCNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001267583290 837851308 /nfs/dbraw/zinc/85/13/08/837851308.db2.gz LEVXWQQCGXLHOP-LSDHHAIUSA-N 1 1 333.436 0.942 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001267584755 837857745 /nfs/dbraw/zinc/85/77/45/837857745.db2.gz HXGYQRBXCVEKKC-DLBZAZTESA-N 1 1 344.459 0.876 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(C(C)C)n2)C1 ZINC001267590117 837877668 /nfs/dbraw/zinc/87/76/68/837877668.db2.gz QHDLNIFDNRDUTB-HNNXBMFYSA-N 1 1 345.447 0.607 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001267594109 837894583 /nfs/dbraw/zinc/89/45/83/837894583.db2.gz YXYRZDFTMKRYJX-LSDHHAIUSA-N 1 1 342.443 0.934 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001267599700 837912352 /nfs/dbraw/zinc/91/23/52/837912352.db2.gz ZAGVSGHYFMHWTM-YJBOKZPZSA-N 1 1 335.448 0.496 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COC)C1 ZINC001267619243 838054561 /nfs/dbraw/zinc/05/45/61/838054561.db2.gz CZNYUXFLCSYKID-HUUCEWRRSA-N 1 1 349.431 0.848 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 ZINC001267620128 838057044 /nfs/dbraw/zinc/05/70/44/838057044.db2.gz VHFVHWVBSWLTLO-KGLIPLIRSA-N 1 1 338.452 0.300 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 ZINC001267620128 838057057 /nfs/dbraw/zinc/05/70/57/838057057.db2.gz VHFVHWVBSWLTLO-KGLIPLIRSA-N 1 1 338.452 0.300 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCCN(CC(=O)NCC#N)C1 ZINC001267627857 838079364 /nfs/dbraw/zinc/07/93/64/838079364.db2.gz IRNXTGLRGYBGEH-LSDHHAIUSA-N 1 1 335.452 0.081 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)nn2C)C1 ZINC001267631793 838094576 /nfs/dbraw/zinc/09/45/76/838094576.db2.gz IKAKBSRSMOVSOV-GJZGRUSLSA-N 1 1 345.447 0.260 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC2CCCC2)C1 ZINC001267646956 838135934 /nfs/dbraw/zinc/13/59/34/838135934.db2.gz TWQDOIQICGACHR-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001267652869 838156355 /nfs/dbraw/zinc/15/63/55/838156355.db2.gz GJWBUTFDOLOLSM-ZDUSSCGKSA-N 1 1 336.436 0.730 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001267653371 838157421 /nfs/dbraw/zinc/15/74/21/838157421.db2.gz QIGYYSMOCRHFLE-KGLIPLIRSA-N 1 1 348.451 0.512 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)nc(C)c2)C1 ZINC001267653878 838158967 /nfs/dbraw/zinc/15/89/67/838158967.db2.gz ZUWBFJYOJOOATH-INIZCTEOSA-N 1 1 342.443 0.842 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)ncn2C)C1 ZINC001267659199 838178152 /nfs/dbraw/zinc/17/81/52/838178152.db2.gz XAYWFFJVEZXOOC-GJZGRUSLSA-N 1 1 347.463 0.813 20 30 ECEDMO Cc1ncccc1C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001267684868 838248557 /nfs/dbraw/zinc/24/85/57/838248557.db2.gz SZUYIOAGCCAQNC-CQSZACIVSA-N 1 1 329.404 0.424 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001267684995 838248753 /nfs/dbraw/zinc/24/87/53/838248753.db2.gz WEPFISVPMMQQKJ-HUUCEWRRSA-N 1 1 329.448 0.724 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC001267689270 838258656 /nfs/dbraw/zinc/25/86/56/838258656.db2.gz CUVPIUKRMYOENL-ZDUSSCGKSA-N 1 1 348.834 0.878 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001267691231 838261932 /nfs/dbraw/zinc/26/19/32/838261932.db2.gz WCGHXFNZXAWWRD-CVEARBPZSA-N 1 1 347.463 0.917 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOCC=C)nn1 ZINC001267713459 838335499 /nfs/dbraw/zinc/33/54/99/838335499.db2.gz PLXURKIIUPBLTG-GJZGRUSLSA-N 1 1 331.420 0.956 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOCC=C)nn1 ZINC001267713459 838335507 /nfs/dbraw/zinc/33/55/07/838335507.db2.gz PLXURKIIUPBLTG-GJZGRUSLSA-N 1 1 331.420 0.956 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001267727824 838407527 /nfs/dbraw/zinc/40/75/27/838407527.db2.gz WKTRFFTZPZOQJD-ZBFHGGJFSA-N 1 1 345.447 0.335 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2ccn(C(C)C)n2)C1 ZINC001267727824 838407533 /nfs/dbraw/zinc/40/75/33/838407533.db2.gz WKTRFFTZPZOQJD-ZBFHGGJFSA-N 1 1 345.447 0.335 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001267728733 838411201 /nfs/dbraw/zinc/41/12/01/838411201.db2.gz HVQDPBBHHVAZTP-NSHDSACASA-N 1 1 331.376 0.670 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001267728259 838411778 /nfs/dbraw/zinc/41/17/78/838411778.db2.gz ZEMPUEUTNVSGPY-ZDUSSCGKSA-N 1 1 348.447 0.377 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001267728259 838411784 /nfs/dbraw/zinc/41/17/84/838411784.db2.gz ZEMPUEUTNVSGPY-ZDUSSCGKSA-N 1 1 348.447 0.377 20 30 ECEDMO C[C@@H](CC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)NC(N)=O ZINC001267741704 838443330 /nfs/dbraw/zinc/44/33/30/838443330.db2.gz JGPGJYUDDXDWOE-XJKSGUPXSA-N 1 1 346.406 0.815 20 30 ECEDMO C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)NC(N)=O ZINC001267741704 838443334 /nfs/dbraw/zinc/44/33/34/838443334.db2.gz JGPGJYUDDXDWOE-XJKSGUPXSA-N 1 1 346.406 0.815 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)cc2C)C1 ZINC001267744430 838447582 /nfs/dbraw/zinc/44/75/82/838447582.db2.gz BIQVLKMVWYGWAZ-LSDHHAIUSA-N 1 1 333.436 0.381 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)cc2C)C1 ZINC001267744430 838447585 /nfs/dbraw/zinc/44/75/85/838447585.db2.gz BIQVLKMVWYGWAZ-LSDHHAIUSA-N 1 1 333.436 0.381 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC001267744792 838448387 /nfs/dbraw/zinc/44/83/87/838448387.db2.gz ZNCJGTYFXZMJLY-KGLIPLIRSA-N 1 1 347.381 0.853 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC001267744792 838448391 /nfs/dbraw/zinc/44/83/91/838448391.db2.gz ZNCJGTYFXZMJLY-KGLIPLIRSA-N 1 1 347.381 0.853 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C[C@H](O)COCCOC)C2)C1 ZINC001267749129 838463667 /nfs/dbraw/zinc/46/36/67/838463667.db2.gz KZFMTQOHLNKEJB-CABCVRRESA-N 1 1 326.437 0.557 20 30 ECEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001267749957 838467951 /nfs/dbraw/zinc/46/79/51/838467951.db2.gz RCGAQWUJYVZXEV-CYBMUJFWSA-N 1 1 330.392 0.048 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)noc2C)C1 ZINC001267754629 838477905 /nfs/dbraw/zinc/47/79/05/838477905.db2.gz NBMWBDRBXFUBGV-GXTWGEPZSA-N 1 1 334.420 0.715 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2c(C)noc2C)C1 ZINC001267754629 838477908 /nfs/dbraw/zinc/47/79/08/838477908.db2.gz NBMWBDRBXFUBGV-GXTWGEPZSA-N 1 1 334.420 0.715 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001267761077 838488514 /nfs/dbraw/zinc/48/85/14/838488514.db2.gz ANROLJYKYIKSKC-UONOGXRCSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001267761077 838488516 /nfs/dbraw/zinc/48/85/16/838488516.db2.gz ANROLJYKYIKSKC-UONOGXRCSA-N 1 1 329.404 0.069 20 30 ECEDMO C=CCOCC(=O)N(C)[C@H]1CC[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC001267761004 838488972 /nfs/dbraw/zinc/48/89/72/838488972.db2.gz ZMHJEWFWMVEUES-HOTGVXAUSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCOCC(=O)N(C)[C@H]1CC[N@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC001267761004 838488975 /nfs/dbraw/zinc/48/89/75/838488975.db2.gz ZMHJEWFWMVEUES-HOTGVXAUSA-N 1 1 335.448 0.875 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001267762077 838489614 /nfs/dbraw/zinc/48/96/14/838489614.db2.gz CULAKBNAPKKOQF-HOTGVXAUSA-N 1 1 349.475 0.816 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001267762077 838489616 /nfs/dbraw/zinc/48/96/16/838489616.db2.gz CULAKBNAPKKOQF-HOTGVXAUSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267763805 838493269 /nfs/dbraw/zinc/49/32/69/838493269.db2.gz PUBNXRAHWZWDKY-JSGCOSHPSA-N 1 1 336.436 0.871 20 30 ECEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267763805 838493272 /nfs/dbraw/zinc/49/32/72/838493272.db2.gz PUBNXRAHWZWDKY-JSGCOSHPSA-N 1 1 336.436 0.871 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCOCCNC(C)=O)C1 ZINC001267769632 838515840 /nfs/dbraw/zinc/51/58/40/838515840.db2.gz YQNBLMHYFREFKV-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCNC(=O)[C@H](C)N1CC[C@@H](N(CC)C(=O)c2[nH]nnc2C)C1 ZINC001267788146 838564949 /nfs/dbraw/zinc/56/49/49/838564949.db2.gz QVPAQMRKXVDJDV-QWHCGFSZSA-N 1 1 334.424 0.340 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2n[nH]nc2C)C1 ZINC001267788146 838564953 /nfs/dbraw/zinc/56/49/53/838564953.db2.gz QVPAQMRKXVDJDV-QWHCGFSZSA-N 1 1 334.424 0.340 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2n[nH]nc2C)C1 ZINC001267788146 838564956 /nfs/dbraw/zinc/56/49/56/838564956.db2.gz QVPAQMRKXVDJDV-QWHCGFSZSA-N 1 1 334.424 0.340 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3nnnn3c2)C1 ZINC001267787736 838565595 /nfs/dbraw/zinc/56/55/95/838565595.db2.gz IZXWKKABYWAACW-HNNXBMFYSA-N 1 1 344.419 0.863 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001267786762 838566754 /nfs/dbraw/zinc/56/67/54/838566754.db2.gz PFMGWYNPVCLCNA-CABCVRRESA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001267786762 838566761 /nfs/dbraw/zinc/56/67/61/838566761.db2.gz PFMGWYNPVCLCNA-CABCVRRESA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnc(C)n2)C1 ZINC001267791309 838572262 /nfs/dbraw/zinc/57/22/62/838572262.db2.gz XJGGTEQSMAYQPN-ZFWWWQNUSA-N 1 1 343.431 0.459 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2ccnc(C)n2)C1 ZINC001267791309 838572267 /nfs/dbraw/zinc/57/22/67/838572267.db2.gz XJGGTEQSMAYQPN-ZFWWWQNUSA-N 1 1 343.431 0.459 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCCN2C)CCCC1 ZINC001267834591 838627761 /nfs/dbraw/zinc/62/77/61/838627761.db2.gz WTJXDAIKDOJVMX-CABCVRRESA-N 1 1 334.464 0.237 20 30 ECEDMO C[C@H]1CCCC[C@@]1(C[NH2+]Cc1nnnn1C)NC(=O)C#CC1CC1 ZINC001267866738 838666271 /nfs/dbraw/zinc/66/62/71/838666271.db2.gz ODXGODBEACOUAP-GUYCJALGSA-N 1 1 330.436 0.778 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267962572 838875615 /nfs/dbraw/zinc/87/56/15/838875615.db2.gz PESUSSYFGOLMJV-OAHLLOKOSA-N 1 1 333.432 0.910 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001267969782 838889786 /nfs/dbraw/zinc/88/97/86/838889786.db2.gz MQKHUBIXOREHSR-CYBMUJFWSA-N 1 1 334.420 0.244 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H](C)CO1)CC2 ZINC001267973586 838904804 /nfs/dbraw/zinc/90/48/04/838904804.db2.gz UUVNYHDYCURYAM-HZPDHXFCSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)c1ccncc1)CC2 ZINC001267972748 838905627 /nfs/dbraw/zinc/90/56/27/838905627.db2.gz PZELWZMJVWLBKO-UHFFFAOYSA-N 1 1 340.427 0.759 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)c1cn(C)cn1)CC2 ZINC001267973147 838906094 /nfs/dbraw/zinc/90/60/94/838906094.db2.gz FWSJVRWNYYUDMM-UHFFFAOYSA-N 1 1 343.431 0.098 20 30 ECEDMO C=CCOCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(N)=O)CC2 ZINC001267974098 838908497 /nfs/dbraw/zinc/90/84/97/838908497.db2.gz MTJLPRJXTRTPLG-CABCVRRESA-N 1 1 335.448 0.625 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H](C)CNCc2cnn(CC)n2)CC1 ZINC001268015913 838979524 /nfs/dbraw/zinc/97/95/24/838979524.db2.gz VWYOVKBFQDTRLX-OAHLLOKOSA-N 1 1 346.479 0.485 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C3CC3)[C@H]2C1 ZINC000975774990 839005139 /nfs/dbraw/zinc/00/51/39/839005139.db2.gz GPTIQQOIMVKBSC-XIRDDKMYSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C3CC3)[C@H]2C1 ZINC000975774990 839005153 /nfs/dbraw/zinc/00/51/53/839005153.db2.gz GPTIQQOIMVKBSC-XIRDDKMYSA-N 1 1 329.444 0.943 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001268023804 839010595 /nfs/dbraw/zinc/01/05/95/839010595.db2.gz QVSAVKUOYZDKOC-HNNXBMFYSA-N 1 1 348.447 0.794 20 30 ECEDMO COCC#CCN1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001268025376 839020914 /nfs/dbraw/zinc/02/09/14/839020914.db2.gz DELUAFUTOPFSRN-YESZJQIVSA-N 1 1 337.464 0.184 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)CCn1ccnn1)CC2 ZINC001268043942 839199894 /nfs/dbraw/zinc/19/98/94/839199894.db2.gz SVAONYWBYXGQBU-UHFFFAOYSA-N 1 1 331.420 0.242 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)Cc1[nH]cnc1C)CC2 ZINC001268046970 839215682 /nfs/dbraw/zinc/21/56/82/839215682.db2.gz QHWLQICIPGHDCD-UHFFFAOYSA-N 1 1 330.432 0.835 20 30 ECEDMO C[C@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)N(C)C(=O)C#CC1CC1 ZINC001268063268 839248819 /nfs/dbraw/zinc/24/88/19/839248819.db2.gz MABOPRCQJZYJES-GDBMZVCRSA-N 1 1 345.447 0.665 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000981023590 839323846 /nfs/dbraw/zinc/32/38/46/839323846.db2.gz AHGMBIXPIQTMTM-MNOVXSKESA-N 1 1 328.380 0.241 20 30 ECEDMO Cc1cc(CNC(=O)Cn2cnc(C#N)n2)cc(N2CCCC2)[nH+]1 ZINC000427232533 210186828 /nfs/dbraw/zinc/18/68/28/210186828.db2.gz TWISYNZZRVCFIO-UHFFFAOYSA-N 1 1 325.376 0.770 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](CC)C(N)=O)C3)C2)c1 ZINC001041661864 781943726 /nfs/dbraw/zinc/94/37/26/781943726.db2.gz YRQJGQLRHDDAIL-VQIMIIECSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2OCCC)C1 ZINC001077920352 781944097 /nfs/dbraw/zinc/94/40/97/781944097.db2.gz FQEFXCQVRUGRDW-HZPDHXFCSA-N 1 1 331.416 0.977 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](O)COCCOC(C)C ZINC000265881658 201217689 /nfs/dbraw/zinc/21/76/89/201217689.db2.gz YLVPHUDLECQUAB-KBPBESRZSA-N 1 1 345.440 0.121 20 30 ECEDMO C=CC[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CC1 ZINC000271392937 201242371 /nfs/dbraw/zinc/24/23/71/201242371.db2.gz KCOJZZUQNFMSBW-UHFFFAOYSA-N 1 1 335.429 0.874 20 30 ECEDMO C=CC[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CC1 ZINC000271392937 201242374 /nfs/dbraw/zinc/24/23/74/201242374.db2.gz KCOJZZUQNFMSBW-UHFFFAOYSA-N 1 1 335.429 0.874 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NC2C[NH+](C(C)C)C2)cc1 ZINC000275264116 201277928 /nfs/dbraw/zinc/27/79/28/201277928.db2.gz RUOBKJJEBHFLJM-UHFFFAOYSA-N 1 1 337.445 0.973 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000278041298 201308434 /nfs/dbraw/zinc/30/84/34/201308434.db2.gz CLDAINKLBDWCOC-ULQDDVLXSA-N 1 1 340.464 0.921 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)NCCC[NH+]2CCOCC2)n1 ZINC000279173744 201315238 /nfs/dbraw/zinc/31/52/38/201315238.db2.gz FZWXOIFYHCBRDK-UHFFFAOYSA-N 1 1 333.436 0.770 20 30 ECEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000106921834 204220556 /nfs/dbraw/zinc/22/05/56/204220556.db2.gz ZLNZVZVYMVTJFB-AWEZNQCLSA-N 1 1 343.431 0.040 20 30 ECEDMO Cn1c(C#N)ccc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000448972897 211268224 /nfs/dbraw/zinc/26/82/24/211268224.db2.gz WMBFJCOPYXPKSR-HNNXBMFYSA-N 1 1 329.404 0.275 20 30 ECEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(NC(N)=O)CC3)C2=O)cc1 ZINC000174922577 207073669 /nfs/dbraw/zinc/07/36/69/207073669.db2.gz HSHZOVPRAYOPQF-HNNXBMFYSA-N 1 1 327.388 0.796 20 30 ECEDMO Cn1c(N[C@H]2C[N@H+](C)Cc3ccccc32)c(C#N)c(=O)n(C)c1=O ZINC000374337827 269694903 /nfs/dbraw/zinc/69/49/03/269694903.db2.gz AQJSFPLHQYSOCW-AWEZNQCLSA-N 1 1 325.372 0.554 20 30 ECEDMO Cn1c(N[C@H]2C[N@@H+](C)Cc3ccccc32)c(C#N)c(=O)n(C)c1=O ZINC000374337827 269694904 /nfs/dbraw/zinc/69/49/04/269694904.db2.gz AQJSFPLHQYSOCW-AWEZNQCLSA-N 1 1 325.372 0.554 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cn1 ZINC000175971249 207178181 /nfs/dbraw/zinc/17/81/81/207178181.db2.gz HTBBNHXUTPGHOB-ZDUSSCGKSA-N 1 1 336.417 0.296 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)COc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000413927210 208379245 /nfs/dbraw/zinc/37/92/45/208379245.db2.gz XPPRORZBRANILB-AWEZNQCLSA-N 1 1 331.372 0.500 20 30 ECEDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000152802896 254500098 /nfs/dbraw/zinc/50/00/98/254500098.db2.gz HHAGAANJLGLXIT-JKSUJKDBSA-N 1 1 348.447 0.894 20 30 ECEDMO N#CC1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000340220232 254676628 /nfs/dbraw/zinc/67/66/28/254676628.db2.gz BVHNNMFONFHHMH-UHFFFAOYSA-N 1 1 340.427 0.923 20 30 ECEDMO N#CC1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000340220232 254676630 /nfs/dbraw/zinc/67/66/30/254676630.db2.gz BVHNNMFONFHHMH-UHFFFAOYSA-N 1 1 340.427 0.923 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425896677 254784884 /nfs/dbraw/zinc/78/48/84/254784884.db2.gz YSJBJWVNZJBUSL-UHFFFAOYSA-N 1 1 341.452 0.265 20 30 ECEDMO N#Cc1cccc(N2CC[NH+](CCCOC(=O)NC(N)=O)CC2)n1 ZINC000495392490 255007118 /nfs/dbraw/zinc/00/71/18/255007118.db2.gz CGOOFYKPGPAYGY-UHFFFAOYSA-N 1 1 332.364 0.270 20 30 ECEDMO COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366422935 269731546 /nfs/dbraw/zinc/73/15/46/269731546.db2.gz TWCMEAVMWOHQJB-HIFRSBDPSA-N 1 1 332.404 0.948 20 30 ECEDMO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366422935 269731547 /nfs/dbraw/zinc/73/15/47/269731547.db2.gz TWCMEAVMWOHQJB-HIFRSBDPSA-N 1 1 332.404 0.948 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001077941443 781981866 /nfs/dbraw/zinc/98/18/66/781981866.db2.gz OIAZZQAOQUGNOT-HUUCEWRRSA-N 1 1 325.372 0.270 20 30 ECEDMO N#Cc1ccc(OCCNC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000073426034 296614171 /nfs/dbraw/zinc/61/41/71/296614171.db2.gz SEOACWNBJNCOBM-UHFFFAOYSA-N 1 1 332.404 0.959 20 30 ECEDMO COCCC[N@H+]1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000374449733 292352647 /nfs/dbraw/zinc/35/26/47/292352647.db2.gz PKMTYOVMULGCLT-AWEZNQCLSA-N 1 1 332.470 0.367 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000610325970 421207832 /nfs/dbraw/zinc/20/78/32/421207832.db2.gz JVFIMQNUMGWFOR-UHFFFAOYSA-N 1 1 333.396 0.129 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000028423267 263139963 /nfs/dbraw/zinc/13/99/63/263139963.db2.gz GQYIPINIPPEPAM-UHFFFAOYSA-N 1 1 343.431 0.910 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000282301918 264032448 /nfs/dbraw/zinc/03/24/48/264032448.db2.gz LHJIVBWVTIQHLR-UHFFFAOYSA-N 1 1 327.388 0.788 20 30 ECEDMO C[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000283852301 264159191 /nfs/dbraw/zinc/15/91/91/264159191.db2.gz FUACKHYWRWQOEJ-CQSZACIVSA-N 1 1 344.415 0.259 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000284371578 264205088 /nfs/dbraw/zinc/20/50/88/264205088.db2.gz RIIPIKWSDVRRPU-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO C[NH+](C)[C@@]1(C(=O)NCCn2cnc(C#N)n2)CCOc2ccccc21 ZINC000367814026 270007415 /nfs/dbraw/zinc/00/74/15/270007415.db2.gz LQMCCQXYOVOSID-KRWDZBQOSA-N 1 1 340.387 0.506 20 30 ECEDMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000332485866 267067519 /nfs/dbraw/zinc/06/75/19/267067519.db2.gz XVYIEPKXSLTHSN-TZMCWYRMSA-N 1 1 327.388 0.977 20 30 ECEDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000332485866 267067522 /nfs/dbraw/zinc/06/75/22/267067522.db2.gz XVYIEPKXSLTHSN-TZMCWYRMSA-N 1 1 327.388 0.977 20 30 ECEDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000332308544 267107097 /nfs/dbraw/zinc/10/70/97/267107097.db2.gz MBUBFZBCXJDYKO-QWHCGFSZSA-N 1 1 326.400 0.998 20 30 ECEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000332308544 267107101 /nfs/dbraw/zinc/10/71/01/267107101.db2.gz MBUBFZBCXJDYKO-QWHCGFSZSA-N 1 1 326.400 0.998 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366419386 267138578 /nfs/dbraw/zinc/13/85/78/267138578.db2.gz NFEUMLLPAPIUMV-HONMWMINSA-N 1 1 326.356 0.480 20 30 ECEDMO C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000372752837 267164717 /nfs/dbraw/zinc/16/47/17/267164717.db2.gz TUOQRMUAYUFLLS-CQSZACIVSA-N 1 1 337.445 0.777 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000372752837 267164719 /nfs/dbraw/zinc/16/47/19/267164719.db2.gz TUOQRMUAYUFLLS-CQSZACIVSA-N 1 1 337.445 0.777 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000532240232 267338238 /nfs/dbraw/zinc/33/82/38/267338238.db2.gz OENDWDHZSIOUIX-KRWDZBQOSA-N 1 1 340.427 0.866 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H](C)C[C@H](O)C3)CC2)o1 ZINC000332271617 267573124 /nfs/dbraw/zinc/57/31/24/267573124.db2.gz FJBVXORXXCAKIE-JSGCOSHPSA-N 1 1 347.419 0.206 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)nc1 ZINC000329327714 268181513 /nfs/dbraw/zinc/18/15/13/268181513.db2.gz URBXOCCUWBFNST-CVEARBPZSA-N 1 1 341.415 0.323 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000365320058 268263398 /nfs/dbraw/zinc/26/33/98/268263398.db2.gz MXSMYMJKLDOKIU-GJZGRUSLSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000528474246 268302570 /nfs/dbraw/zinc/30/25/70/268302570.db2.gz OWEKDMWDDRWGRA-HWMZRRJGSA-N 1 1 329.400 0.884 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000528432483 268303198 /nfs/dbraw/zinc/30/31/98/268303198.db2.gz ZYWQXEKYOLAFMM-JKSUJKDBSA-N 1 1 329.400 0.995 20 30 ECEDMO N#Cc1ncn(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000329937428 268333631 /nfs/dbraw/zinc/33/36/31/268333631.db2.gz RZHGMOISSUNPCS-IYBDPMFKSA-N 1 1 336.399 0.740 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000491659189 275380185 /nfs/dbraw/zinc/38/01/85/275380185.db2.gz WZGGEXLDBXEMIT-INIZCTEOSA-N 1 1 328.416 0.824 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC001041720483 782051610 /nfs/dbraw/zinc/05/16/10/782051610.db2.gz QAOBTCFBZREDKH-MRXNPFEDSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC001041720483 782051620 /nfs/dbraw/zinc/05/16/20/782051620.db2.gz QAOBTCFBZREDKH-MRXNPFEDSA-N 1 1 326.462 0.922 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000329752938 280224889 /nfs/dbraw/zinc/22/48/89/280224889.db2.gz JTYUJXGFFZJJSS-YVSFHVDLSA-N 1 1 338.496 0.875 20 30 ECEDMO C=CC[N@H+](CC(=O)NCC#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343567698 437605861 /nfs/dbraw/zinc/60/58/61/437605861.db2.gz WQYAKBOGILXGIG-CYBMUJFWSA-N 1 1 325.376 0.851 20 30 ECEDMO C=CC[N@@H+](CC(=O)NCC#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343567698 437605866 /nfs/dbraw/zinc/60/58/66/437605866.db2.gz WQYAKBOGILXGIG-CYBMUJFWSA-N 1 1 325.376 0.851 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H](S(C)(=O)=O)C2)CCSC1 ZINC000329673210 289398653 /nfs/dbraw/zinc/39/86/53/289398653.db2.gz SRYNOUMHTMMFGR-OCCSQVGLSA-N 1 1 349.522 0.847 20 30 ECEDMO C=CCCC[C@H](C)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000340239542 437616329 /nfs/dbraw/zinc/61/63/29/437616329.db2.gz PUJGMKDBZPYRES-AWEZNQCLSA-N 1 1 338.452 0.128 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ncnc3ccsc32)CC1 ZINC000074259615 436118650 /nfs/dbraw/zinc/11/86/50/436118650.db2.gz UKKVPPFQQGDRFT-UHFFFAOYSA-N 1 1 329.429 0.953 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ncnc3ccsc32)CC1 ZINC000074259615 436118656 /nfs/dbraw/zinc/11/86/56/436118656.db2.gz UKKVPPFQQGDRFT-UHFFFAOYSA-N 1 1 329.429 0.953 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000032490097 436239508 /nfs/dbraw/zinc/23/95/08/436239508.db2.gz OYRMWFGESQXERW-OAHLLOKOSA-N 1 1 337.420 0.077 20 30 ECEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000029227228 436199183 /nfs/dbraw/zinc/19/91/83/436199183.db2.gz DVOFRCQPLWCVOF-UHFFFAOYSA-N 1 1 332.364 0.131 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)CCOc2ccccc2F)CC1 ZINC000081646632 436353277 /nfs/dbraw/zinc/35/32/77/436353277.db2.gz BBNLHFQIFBGEEC-UHFFFAOYSA-N 1 1 333.407 0.914 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)CCOc2ccccc2F)CC1 ZINC000081646632 436353280 /nfs/dbraw/zinc/35/32/80/436353280.db2.gz BBNLHFQIFBGEEC-UHFFFAOYSA-N 1 1 333.407 0.914 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(C#N)cs2)CC1 ZINC000084077915 436377541 /nfs/dbraw/zinc/37/75/41/436377541.db2.gz KZPYHLSVXSZDFR-CYBMUJFWSA-N 1 1 332.429 0.998 20 30 ECEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)N2CCOCC2)CC1 ZINC000046086455 436385741 /nfs/dbraw/zinc/38/57/41/436385741.db2.gz FXXXKTGPBDUNOA-UHFFFAOYSA-N 1 1 328.416 0.929 20 30 ECEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)N2CCOCC2)CC1 ZINC000046086455 436385743 /nfs/dbraw/zinc/38/57/43/436385743.db2.gz FXXXKTGPBDUNOA-UHFFFAOYSA-N 1 1 328.416 0.929 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000090188282 436429399 /nfs/dbraw/zinc/42/93/99/436429399.db2.gz UVOIVSFRKRSZOH-UHFFFAOYSA-N 1 1 332.389 0.198 20 30 ECEDMO COCC[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)N(C)C ZINC000109025603 436622794 /nfs/dbraw/zinc/62/27/94/436622794.db2.gz AVIMVXLIOMBZIZ-UHFFFAOYSA-N 1 1 338.433 0.985 20 30 ECEDMO COCC[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)N(C)C ZINC000109025603 436622796 /nfs/dbraw/zinc/62/27/96/436622796.db2.gz AVIMVXLIOMBZIZ-UHFFFAOYSA-N 1 1 338.433 0.985 20 30 ECEDMO C=CCNS(=O)(=O)c1cc(C(=O)NCC[N@H+](C)CC)ccc1F ZINC000112926629 436635560 /nfs/dbraw/zinc/63/55/60/436635560.db2.gz BUQLAKLOZJLUQM-UHFFFAOYSA-N 1 1 343.424 0.972 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000063114955 436642397 /nfs/dbraw/zinc/64/23/97/436642397.db2.gz YEXWSTUQHRJIMN-CQSZACIVSA-N 1 1 347.440 0.565 20 30 ECEDMO CS(=O)(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000116887892 436653641 /nfs/dbraw/zinc/65/36/41/436653641.db2.gz HGEOYSZMKIBRFX-NSHDSACASA-N 1 1 342.446 0.572 20 30 ECEDMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000116887892 436653644 /nfs/dbraw/zinc/65/36/44/436653644.db2.gz HGEOYSZMKIBRFX-NSHDSACASA-N 1 1 342.446 0.572 20 30 ECEDMO COC(=O)C1(O)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000271539422 436693450 /nfs/dbraw/zinc/69/34/50/436693450.db2.gz YRWKGVAOPWNTMG-AWEZNQCLSA-N 1 1 334.372 0.298 20 30 ECEDMO C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000151270265 436700419 /nfs/dbraw/zinc/70/04/19/436700419.db2.gz RXHCFBCLMVESKH-CZUORRHYSA-N 1 1 332.404 0.955 20 30 ECEDMO C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000151270265 436700423 /nfs/dbraw/zinc/70/04/23/436700423.db2.gz RXHCFBCLMVESKH-CZUORRHYSA-N 1 1 332.404 0.955 20 30 ECEDMO COCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)N(C)C ZINC000118827928 436663708 /nfs/dbraw/zinc/66/37/08/436663708.db2.gz TUSBPJRDKNEJOS-UHFFFAOYSA-N 1 1 332.404 0.923 20 30 ECEDMO COCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)N(C)C ZINC000118827928 436663710 /nfs/dbraw/zinc/66/37/10/436663710.db2.gz TUSBPJRDKNEJOS-UHFFFAOYSA-N 1 1 332.404 0.923 20 30 ECEDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000119064866 436665629 /nfs/dbraw/zinc/66/56/29/436665629.db2.gz ZJFSRBPEDMALGN-ZDUSSCGKSA-N 1 1 333.436 0.878 20 30 ECEDMO N#CCOc1cccc(CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000270466255 436672613 /nfs/dbraw/zinc/67/26/13/436672613.db2.gz GOYYUTGTCQWGGK-INIZCTEOSA-N 1 1 344.415 0.587 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](CCSC)NC(=O)CC)CC1 ZINC000068444304 436745306 /nfs/dbraw/zinc/74/53/06/436745306.db2.gz LCSPRJRQXWLWGR-AWEZNQCLSA-N 1 1 325.478 0.802 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121514126 436716945 /nfs/dbraw/zinc/71/69/45/436716945.db2.gz PTXHNWMHKNGNOK-HNNXBMFYSA-N 1 1 344.481 0.397 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000272479563 436717596 /nfs/dbraw/zinc/71/75/96/436717596.db2.gz FKFQVSOWMFELBH-ZDUSSCGKSA-N 1 1 348.403 0.610 20 30 ECEDMO C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246053679 436771840 /nfs/dbraw/zinc/77/18/40/436771840.db2.gz AUBRTWAERDFMOZ-GDBMZVCRSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC1 ZINC000127375935 436801928 /nfs/dbraw/zinc/80/19/28/436801928.db2.gz MFSNPQNWZBTROF-UHFFFAOYSA-N 1 1 342.443 0.968 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000127448530 436802281 /nfs/dbraw/zinc/80/22/81/436802281.db2.gz GVCYXLYEZLHGDC-UHFFFAOYSA-N 1 1 342.443 0.968 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(NC(C)=O)c1 ZINC000293206129 436857507 /nfs/dbraw/zinc/85/75/07/436857507.db2.gz AVOBUORDMRQMHJ-UHFFFAOYSA-N 1 1 348.378 0.794 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000293247023 436860633 /nfs/dbraw/zinc/86/06/33/436860633.db2.gz DGEZOZIBQGTWBB-UHFFFAOYSA-N 1 1 345.399 0.474 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000293299870 436863795 /nfs/dbraw/zinc/86/37/95/436863795.db2.gz HMOXOKJIRYCVAV-UHFFFAOYSA-N 1 1 345.399 0.412 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000293418697 436874873 /nfs/dbraw/zinc/87/48/73/436874873.db2.gz PSDSSBHOGOFIPR-UHFFFAOYSA-N 1 1 342.399 0.433 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CNC(=O)c1ccc(OCC)cc1 ZINC000293874936 436915480 /nfs/dbraw/zinc/91/54/80/436915480.db2.gz CCPNUVSYKAZQCT-UHFFFAOYSA-N 1 1 331.416 0.886 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CCn1c2ccccc2n(C)c1=O ZINC000293928583 436920280 /nfs/dbraw/zinc/92/02/80/436920280.db2.gz HQOQDLAEHMOWTD-UHFFFAOYSA-N 1 1 328.416 0.801 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](CNC(=O)OC(C)(C)C)OC ZINC000293941171 436921211 /nfs/dbraw/zinc/92/12/11/436921211.db2.gz IYYIITPWSJBWPI-ZDUSSCGKSA-N 1 1 327.425 0.597 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000293433150 436876651 /nfs/dbraw/zinc/87/66/51/436876651.db2.gz QYVMIPLWNTXKIE-ZDUSSCGKSA-N 1 1 331.420 0.864 20 30 ECEDMO C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@H]1CN2CCN1CC2 ZINC000261702053 436883740 /nfs/dbraw/zinc/88/37/40/436883740.db2.gz GHGRODNOQHZZHK-AWEZNQCLSA-N 1 1 336.509 0.467 20 30 ECEDMO N#CC1(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCC1 ZINC000134559157 436900165 /nfs/dbraw/zinc/90/01/65/436900165.db2.gz XIBRCWGOSVRTIK-UHFFFAOYSA-N 1 1 328.420 0.799 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@H](O)C2)c(OC)c1 ZINC000295080657 436962156 /nfs/dbraw/zinc/96/21/56/436962156.db2.gz BAWHZTQAWRBDMV-HZPDHXFCSA-N 1 1 337.416 0.857 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264165912 437019420 /nfs/dbraw/zinc/01/94/20/437019420.db2.gz GTRVRHOCFXRMIF-ZDUSSCGKSA-N 1 1 347.419 0.613 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000296262019 436987885 /nfs/dbraw/zinc/98/78/85/436987885.db2.gz UBUOHXSYQKKAQK-INIZCTEOSA-N 1 1 329.400 0.569 20 30 ECEDMO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C#N)c1C ZINC000263808025 436990802 /nfs/dbraw/zinc/99/08/02/436990802.db2.gz QBAMHOQSRYAKSO-HNNXBMFYSA-N 1 1 328.420 0.708 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCn1c2ccccc2[nH]c1=O ZINC000296865624 436997670 /nfs/dbraw/zinc/99/76/70/436997670.db2.gz KTEODTWHVZEDCL-UHFFFAOYSA-N 1 1 329.404 0.584 20 30 ECEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000263955657 437006370 /nfs/dbraw/zinc/00/63/70/437006370.db2.gz GFIQCIXPPZQOKP-NSHDSACASA-N 1 1 341.371 0.559 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275752152 437009729 /nfs/dbraw/zinc/00/97/29/437009729.db2.gz YOGWRMZKPXXCJI-GFCCVEGCSA-N 1 1 345.403 0.743 20 30 ECEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000298974475 437057611 /nfs/dbraw/zinc/05/76/11/437057611.db2.gz DXWHQSLMZWGENB-CQSZACIVSA-N 1 1 344.415 0.606 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2C[N@H+](CC)CCO2)c1 ZINC000174695644 437084333 /nfs/dbraw/zinc/08/43/33/437084333.db2.gz DASZPDMFGKZZFB-MRXNPFEDSA-N 1 1 329.400 0.786 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)c1 ZINC000174695644 437084336 /nfs/dbraw/zinc/08/43/36/437084336.db2.gz DASZPDMFGKZZFB-MRXNPFEDSA-N 1 1 329.400 0.786 20 30 ECEDMO C=CCCCNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000286278511 437088449 /nfs/dbraw/zinc/08/84/49/437088449.db2.gz FEKUWKNZIRDUGA-CQSZACIVSA-N 1 1 338.452 0.128 20 30 ECEDMO C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)[N@@H+](C)Cc1ccccc1 ZINC000264824699 437090142 /nfs/dbraw/zinc/09/01/42/437090142.db2.gz YFTQHXNDPZJXOZ-CYBMUJFWSA-N 1 1 341.415 0.888 20 30 ECEDMO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000174816457 437088108 /nfs/dbraw/zinc/08/81/08/437088108.db2.gz KCLYEYZSSSKCRL-UHFFFAOYSA-N 1 1 344.481 0.511 20 30 ECEDMO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000286969667 437149762 /nfs/dbraw/zinc/14/97/62/437149762.db2.gz NXZHVPPDILRMOU-CQSZACIVSA-N 1 1 335.408 0.853 20 30 ECEDMO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000286969667 437149765 /nfs/dbraw/zinc/14/97/65/437149765.db2.gz NXZHVPPDILRMOU-CQSZACIVSA-N 1 1 335.408 0.853 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)CC1 ZINC000305883141 437165175 /nfs/dbraw/zinc/16/51/75/437165175.db2.gz WJCZAMINWWLBBI-BBWFWOEESA-N 1 1 336.480 0.914 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2[C@@H](C)CCC[C@H]2CO)CC1 ZINC000305883143 437163490 /nfs/dbraw/zinc/16/34/90/437163490.db2.gz WJCZAMINWWLBBI-ULQDDVLXSA-N 1 1 336.480 0.914 20 30 ECEDMO C[N@@H+](CCNC(=O)NCCn1cnc(C#N)n1)Cc1ccc(F)cc1 ZINC000286694929 437120289 /nfs/dbraw/zinc/12/02/89/437120289.db2.gz NONWGLTUNKSFLM-UHFFFAOYSA-N 1 1 345.382 0.720 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000177907266 437201000 /nfs/dbraw/zinc/20/10/00/437201000.db2.gz FZSHBQVEIJOCLY-UHFFFAOYSA-N 1 1 333.367 0.983 20 30 ECEDMO CN(C)C(=O)Cn1cc(NC(=O)C[N@H+](C)[C@H]2CCSC2)cn1 ZINC000328817529 437266690 /nfs/dbraw/zinc/26/66/90/437266690.db2.gz OXGMEQOXTKHRRV-LBPRGKRZSA-N 1 1 325.438 0.997 20 30 ECEDMO CN(C)C(=O)Cn1cc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)cn1 ZINC000328817529 437266694 /nfs/dbraw/zinc/26/66/94/437266694.db2.gz OXGMEQOXTKHRRV-LBPRGKRZSA-N 1 1 325.438 0.997 20 30 ECEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CNc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000332603350 437236662 /nfs/dbraw/zinc/23/66/62/437236662.db2.gz IKSDZHIECAKCFH-KBPBESRZSA-N 1 1 345.447 1.369 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3COC[C@H](C2)O3)C[C@H](C)O1 ZINC000328696380 437252342 /nfs/dbraw/zinc/25/23/42/437252342.db2.gz KTPMQHRSHKFUGW-NMWPEEMBSA-N 1 1 341.452 0.888 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3COC[C@H](C2)O3)C[C@H](C)O1 ZINC000328696380 437252347 /nfs/dbraw/zinc/25/23/47/437252347.db2.gz KTPMQHRSHKFUGW-NMWPEEMBSA-N 1 1 341.452 0.888 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000328689913 437252488 /nfs/dbraw/zinc/25/24/88/437252488.db2.gz DDVHMQYEBSPICS-CABCVRRESA-N 1 1 339.484 0.337 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000328756407 437259344 /nfs/dbraw/zinc/25/93/44/437259344.db2.gz UEHNOJBMXPERGI-STQMWFEESA-N 1 1 332.470 0.398 20 30 ECEDMO C[C@H](C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCSCC1 ZINC000328743408 437259997 /nfs/dbraw/zinc/25/99/97/437259997.db2.gz OLTGYLBUJQNMHR-NEPJUHHUSA-N 1 1 335.495 0.662 20 30 ECEDMO C[N@@H+](CCCNS(=O)(=O)N1CCO[C@H](C#N)C1)C1CCCCC1 ZINC000336912393 437309406 /nfs/dbraw/zinc/30/94/06/437309406.db2.gz JZVGFJDIUYQVHW-OAHLLOKOSA-N 1 1 344.481 0.700 20 30 ECEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000328856980 437273619 /nfs/dbraw/zinc/27/36/19/437273619.db2.gz UKVCWMLDFMBIND-QLFBSQMISA-N 1 1 327.450 0.805 20 30 ECEDMO CC(=O)N1CCC[C@](O)(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000328964826 437294355 /nfs/dbraw/zinc/29/43/55/437294355.db2.gz MAKORTYOXXDMGX-DOTOQJQBSA-N 1 1 341.452 0.673 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000334086257 437296163 /nfs/dbraw/zinc/29/61/63/437296163.db2.gz BRFPWLGPTXENKE-XJKSGUPXSA-N 1 1 338.452 0.477 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000180655945 437298508 /nfs/dbraw/zinc/29/85/08/437298508.db2.gz IPOJJYCJJXGKNQ-KZCXMXTOSA-N 1 1 348.491 0.772 20 30 ECEDMO C[C@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)C1=CC[N@@H+](C)CC1 ZINC000329304734 437349948 /nfs/dbraw/zinc/34/99/48/437349948.db2.gz OLTZBWHGTYSACC-LBPRGKRZSA-N 1 1 331.420 0.703 20 30 ECEDMO CN(C)C(=O)CN1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329314581 437351786 /nfs/dbraw/zinc/35/17/86/437351786.db2.gz RTYJYYBGUIIKKG-AWEZNQCLSA-N 1 1 337.468 0.279 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CCCOCC2)CC1 ZINC000329423807 437367682 /nfs/dbraw/zinc/36/76/82/437367682.db2.gz FYOBFFJGGGJSGJ-AWEZNQCLSA-N 1 1 326.441 0.565 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C1 ZINC000329156567 437327217 /nfs/dbraw/zinc/32/72/17/437327217.db2.gz VSZOLGNGBHHHOG-IJEWVQPXSA-N 1 1 327.425 0.549 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCCN2C(=O)NC(C)C)[N@@H+](C)C1 ZINC000329193771 437331903 /nfs/dbraw/zinc/33/19/03/437331903.db2.gz ROICGMCVOWVLOI-KKUMJFAQSA-N 1 1 340.468 0.951 20 30 ECEDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000329238068 437338415 /nfs/dbraw/zinc/33/84/15/437338415.db2.gz KVKUEDNVDDMUDG-HZSPNIEDSA-N 1 1 325.409 0.301 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CCCOC1 ZINC000329761761 437409848 /nfs/dbraw/zinc/40/98/48/437409848.db2.gz RWHPFDRPEJJABD-HUUCEWRRSA-N 1 1 339.436 0.835 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCNC(C)=O)C1CCSCC1 ZINC000338594482 437413130 /nfs/dbraw/zinc/41/31/30/437413130.db2.gz YOCGSQBWFFPGTF-UHFFFAOYSA-N 1 1 342.465 0.332 20 30 ECEDMO CCN1CCN(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1=O ZINC000329840873 437420174 /nfs/dbraw/zinc/42/01/74/437420174.db2.gz NHHPTZMZLOZEPI-OAHLLOKOSA-N 1 1 339.484 0.337 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000268542397 437431885 /nfs/dbraw/zinc/43/18/85/437431885.db2.gz GVDBNNSTSHTOPU-UHFFFAOYSA-N 1 1 344.415 0.825 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000183174043 437377207 /nfs/dbraw/zinc/37/72/07/437377207.db2.gz XMSXDHASIIGYJY-CABCVRRESA-N 1 1 348.472 0.914 20 30 ECEDMO C=CCn1c([C@H]2COCCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC000337873127 437382647 /nfs/dbraw/zinc/38/26/47/437382647.db2.gz WQZDEZFBWUPJMV-CQSZACIVSA-N 1 1 337.424 0.320 20 30 ECEDMO C[C@H](CO[C@H]1CCOC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329639503 437394714 /nfs/dbraw/zinc/39/47/14/437394714.db2.gz ZHEKFYFLVCZVFB-LVQVYYBASA-N 1 1 341.452 0.889 20 30 ECEDMO CN1CC[NH+](CC2CCN(C(=O)NCCn3ccnc3)CC2)CC1 ZINC000330316358 437482676 /nfs/dbraw/zinc/48/26/76/437482676.db2.gz ZHUNXQZIUOXFJC-UHFFFAOYSA-N 1 1 334.468 0.757 20 30 ECEDMO CCCN1CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000329968591 437440016 /nfs/dbraw/zinc/44/00/16/437440016.db2.gz WTMJUSFOBIYQRU-CQSZACIVSA-N 1 1 325.457 0.091 20 30 ECEDMO CCC[N@H+]1CC[C@H](CNC(=O)N2CCc3c(ncn(C)c3=O)C2)C1 ZINC000330065005 437450423 /nfs/dbraw/zinc/45/04/23/437450423.db2.gz RQACDGDIZJTEOP-CYBMUJFWSA-N 1 1 333.436 0.784 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000330107504 437455196 /nfs/dbraw/zinc/45/51/96/437455196.db2.gz MFOUDFNEWMVWCT-KNCOVGOOSA-N 1 1 337.420 0.301 20 30 ECEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000330139861 437460609 /nfs/dbraw/zinc/46/06/09/437460609.db2.gz PDOHNYQNOANHNF-ZDUSSCGKSA-N 1 1 325.457 0.089 20 30 ECEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000330139861 437460613 /nfs/dbraw/zinc/46/06/13/437460613.db2.gz PDOHNYQNOANHNF-ZDUSSCGKSA-N 1 1 325.457 0.089 20 30 ECEDMO Cn1cc(N2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC000330176887 437464460 /nfs/dbraw/zinc/46/44/60/437464460.db2.gz COTLEHYMUXALRO-CYBMUJFWSA-N 1 1 329.408 0.668 20 30 ECEDMO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000330202622 437467874 /nfs/dbraw/zinc/46/78/74/437467874.db2.gz ZNXAKJOWYYZADX-CYBMUJFWSA-N 1 1 345.382 0.863 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cn2)C1 ZINC000339845280 437506324 /nfs/dbraw/zinc/50/63/24/437506324.db2.gz DTDPAUZCMAWJCK-AWEZNQCLSA-N 1 1 345.403 0.365 20 30 ECEDMO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)co1 ZINC000330436536 437511588 /nfs/dbraw/zinc/51/15/88/437511588.db2.gz AWTFKQVCCNYQJI-GFCCVEGCSA-N 1 1 344.437 0.080 20 30 ECEDMO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)co1 ZINC000330436536 437511593 /nfs/dbraw/zinc/51/15/93/437511593.db2.gz AWTFKQVCCNYQJI-GFCCVEGCSA-N 1 1 344.437 0.080 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000187825941 437516473 /nfs/dbraw/zinc/51/64/73/437516473.db2.gz HBMBVVPCSUVWEM-CQSZACIVSA-N 1 1 343.427 0.910 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000187825941 437516477 /nfs/dbraw/zinc/51/64/77/437516477.db2.gz HBMBVVPCSUVWEM-CQSZACIVSA-N 1 1 343.427 0.910 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000330482179 437527120 /nfs/dbraw/zinc/52/71/20/437527120.db2.gz WOPXSICCYFCXIO-HZPDHXFCSA-N 1 1 340.468 0.858 20 30 ECEDMO CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000330627207 437572359 /nfs/dbraw/zinc/57/23/59/437572359.db2.gz WXWCXSHSUFYHIA-GFCCVEGCSA-N 1 1 335.408 0.651 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)n1C ZINC000291257413 437575674 /nfs/dbraw/zinc/57/56/74/437575674.db2.gz KHDIICSISJXLMX-UHFFFAOYSA-N 1 1 344.350 0.752 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000343739190 437642562 /nfs/dbraw/zinc/64/25/62/437642562.db2.gz LUEVEKGQWWFWCB-CZUORRHYSA-N 1 1 334.464 0.352 20 30 ECEDMO COC(=O)CN1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000354883360 437655776 /nfs/dbraw/zinc/65/57/76/437655776.db2.gz LAYIEANOHMWEBY-UHFFFAOYSA-N 1 1 336.417 0.739 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292082752 437656676 /nfs/dbraw/zinc/65/66/76/437656676.db2.gz DSHFYYXUTAZXCK-OCCSQVGLSA-N 1 1 343.387 0.807 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292082752 437656679 /nfs/dbraw/zinc/65/66/79/437656679.db2.gz DSHFYYXUTAZXCK-OCCSQVGLSA-N 1 1 343.387 0.807 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000355050813 437666809 /nfs/dbraw/zinc/66/68/09/437666809.db2.gz FYOBKNQFFAWTHM-CHWSQXEVSA-N 1 1 348.407 0.320 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000355050813 437666815 /nfs/dbraw/zinc/66/68/15/437666815.db2.gz FYOBKNQFFAWTHM-CHWSQXEVSA-N 1 1 348.407 0.320 20 30 ECEDMO CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355136515 437676527 /nfs/dbraw/zinc/67/65/27/437676527.db2.gz PCWIXPHZGYUXSY-OAHLLOKOSA-N 1 1 326.400 0.870 20 30 ECEDMO C[N@H+]1CC[C@@]2(CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)C1 ZINC000292389596 437684757 /nfs/dbraw/zinc/68/47/57/437684757.db2.gz YAXWIFLJWDXLMA-GOSISDBHSA-N 1 1 326.400 0.842 20 30 ECEDMO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)c(C)o1 ZINC000331218540 437719921 /nfs/dbraw/zinc/71/99/21/437719921.db2.gz RZRNWWPTPUPKLK-NSHDSACASA-N 1 1 345.421 0.521 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000340713861 437716147 /nfs/dbraw/zinc/71/61/47/437716147.db2.gz PHKTUAQUXNFFGM-UHFFFAOYSA-N 1 1 338.415 0.730 20 30 ECEDMO N#CC1(F)CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000344788003 437765221 /nfs/dbraw/zinc/76/52/21/437765221.db2.gz JMQDCOHSWQZFKD-LBPRGKRZSA-N 1 1 325.388 0.363 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000344820436 437765251 /nfs/dbraw/zinc/76/52/51/437765251.db2.gz CRBPTVDXMXHSCP-UHFFFAOYSA-N 1 1 344.415 0.751 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000340755341 437723062 /nfs/dbraw/zinc/72/30/62/437723062.db2.gz IEVUNRLVVUDATA-CHWSQXEVSA-N 1 1 327.450 0.985 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000340744720 437723658 /nfs/dbraw/zinc/72/36/58/437723658.db2.gz OOBGAPVZJZSAGS-CQSZACIVSA-N 1 1 338.452 0.080 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000340769968 437728209 /nfs/dbraw/zinc/72/82/09/437728209.db2.gz HKIZDGVLUKPMKY-MRXNPFEDSA-N 1 1 338.496 0.801 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCCCC#N)CC1 ZINC000340772931 437728365 /nfs/dbraw/zinc/72/83/65/437728365.db2.gz KLIFQFGUDJTSNP-OAHLLOKOSA-N 1 1 337.468 0.186 20 30 ECEDMO CC(C)CNC(=O)NC(=O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000331266243 437728563 /nfs/dbraw/zinc/72/85/63/437728563.db2.gz IJOXXAYRIBFKFZ-UHFFFAOYSA-N 1 1 339.440 0.757 20 30 ECEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@H](O)CN1CCCC1=O ZINC000344116862 437733054 /nfs/dbraw/zinc/73/30/54/437733054.db2.gz OASWEIOHMQHNAH-KRWDZBQOSA-N 1 1 331.416 0.990 20 30 ECEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCNS(=O)(=O)N(C)C ZINC000331318913 437740168 /nfs/dbraw/zinc/74/01/68/437740168.db2.gz DQPUCKPRQFIYGE-OLZOCXBDSA-N 1 1 349.501 0.006 20 30 ECEDMO N#CCCn1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1 ZINC000362710756 437752355 /nfs/dbraw/zinc/75/23/55/437752355.db2.gz LIIAMTIBXVMURU-UONOGXRCSA-N 1 1 332.408 1.172 20 30 ECEDMO N#CCCn1ccc(NC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1 ZINC000362710756 437752356 /nfs/dbraw/zinc/75/23/56/437752356.db2.gz LIIAMTIBXVMURU-UONOGXRCSA-N 1 1 332.408 1.172 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cn(C)nc2-c2cnn(C)c2)CC1 ZINC000364639863 437819339 /nfs/dbraw/zinc/81/93/39/437819339.db2.gz DULPIWZLBLWZED-UHFFFAOYSA-N 1 1 326.404 0.602 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)C1 ZINC000370682306 437819514 /nfs/dbraw/zinc/81/95/14/437819514.db2.gz QRYVCFUKBPJROB-MRXNPFEDSA-N 1 1 343.431 1.077 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)C1 ZINC000370682306 437819520 /nfs/dbraw/zinc/81/95/20/437819520.db2.gz QRYVCFUKBPJROB-MRXNPFEDSA-N 1 1 343.431 1.077 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000346744197 437820751 /nfs/dbraw/zinc/82/07/51/437820751.db2.gz YSTSLHWLPISITR-WBMJQRKESA-N 1 1 332.408 0.044 20 30 ECEDMO Cc1cc(C(=O)NC2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)no1 ZINC000363211047 437775739 /nfs/dbraw/zinc/77/57/39/437775739.db2.gz AKMZBPCJKOBQSR-CYBMUJFWSA-N 1 1 347.419 0.938 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cccn2C)CC1 ZINC000363452864 437791874 /nfs/dbraw/zinc/79/18/74/437791874.db2.gz NCYRLZLHAAAEPY-UHFFFAOYSA-N 1 1 347.419 0.231 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363855535 437807514 /nfs/dbraw/zinc/80/75/14/437807514.db2.gz OKXFINZZCLHJLH-LSDHHAIUSA-N 1 1 328.368 0.746 20 30 ECEDMO COCCC[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000364037517 437811071 /nfs/dbraw/zinc/81/10/71/437811071.db2.gz AVYDRTLKBXRCIM-UHFFFAOYSA-N 1 1 338.433 0.686 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000346419690 437811301 /nfs/dbraw/zinc/81/13/01/437811301.db2.gz XUJRTIKWSPRYHB-HNNXBMFYSA-N 1 1 335.496 0.895 20 30 ECEDMO N#CC1(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC1 ZINC000347167589 437846238 /nfs/dbraw/zinc/84/62/38/437846238.db2.gz VKHPGRUFXUHZSB-UHFFFAOYSA-N 1 1 332.364 0.991 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000341545529 437862452 /nfs/dbraw/zinc/86/24/52/437862452.db2.gz KZLLKZYCSBLAOB-CYBMUJFWSA-N 1 1 332.404 0.716 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCCc2cccc(C#N)c2)CC1 ZINC000347677621 437930419 /nfs/dbraw/zinc/93/04/19/437930419.db2.gz ICXCAHRDDNXZTK-UHFFFAOYSA-N 1 1 343.431 0.610 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000347520150 437901267 /nfs/dbraw/zinc/90/12/67/437901267.db2.gz IRLLAASRXXHXDK-MRXNPFEDSA-N 1 1 334.420 0.912 20 30 ECEDMO C=CCCn1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000424633057 437980680 /nfs/dbraw/zinc/98/06/80/437980680.db2.gz CICXFQJXRMDDKU-OAHLLOKOSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371728968 437983779 /nfs/dbraw/zinc/98/37/79/437983779.db2.gz WSQWQXJIGJIBLW-SOUVJXGZSA-N 1 1 341.477 0.713 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366225071 438039932 /nfs/dbraw/zinc/03/99/32/438039932.db2.gz RKVVYXALZMTIOJ-CQSZACIVSA-N 1 1 330.454 0.121 20 30 ECEDMO COc1cc(C#N)ccc1OCCCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358047639 438131449 /nfs/dbraw/zinc/13/14/49/438131449.db2.gz MFTDMLWWVSOQGQ-GOSISDBHSA-N 1 1 347.415 0.909 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)nn1CCC#N ZINC000349280834 438145385 /nfs/dbraw/zinc/14/53/85/438145385.db2.gz GSTFHPZDWQHBNG-SMDDNHRTSA-N 1 1 344.419 0.643 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418534299 438156873 /nfs/dbraw/zinc/15/68/73/438156873.db2.gz AGODBFHQHGLJJY-JTQLQIEISA-N 1 1 339.350 0.162 20 30 ECEDMO C[N@H+]1CCN(CCNS(=O)(=O)CC2(C#N)CCC2)CC1(C)C ZINC000349686267 438170992 /nfs/dbraw/zinc/17/09/92/438170992.db2.gz UIPLBYXGGYCVSE-UHFFFAOYSA-N 1 1 328.482 0.626 20 30 ECEDMO CC(C)NC(=O)CN1CCC[N@@H+](CCC(=O)N(C)CCC#N)CC1 ZINC000367494535 438215086 /nfs/dbraw/zinc/21/50/86/438215086.db2.gz FIRZRZPGRAXRES-UHFFFAOYSA-N 1 1 337.468 0.281 20 30 ECEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC(=O)NCC#N)cc1F ZINC000376293769 438277457 /nfs/dbraw/zinc/27/74/57/438277457.db2.gz NQFWLFNXGXWJDL-UHFFFAOYSA-N 1 1 344.350 0.759 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419000781 438279648 /nfs/dbraw/zinc/27/96/48/438279648.db2.gz VZQAZPJEOUDSEQ-OAHLLOKOSA-N 1 1 332.404 0.263 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC(=O)NCC#N ZINC000376566155 438286124 /nfs/dbraw/zinc/28/61/24/438286124.db2.gz SBNBXTNNASYHMR-HIFRSBDPSA-N 1 1 329.404 0.446 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000377297239 438307095 /nfs/dbraw/zinc/30/70/95/438307095.db2.gz JDYUDXUGMTVCMW-OAHLLOKOSA-N 1 1 331.420 0.587 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000368725284 438374590 /nfs/dbraw/zinc/37/45/90/438374590.db2.gz UDSXBQPIYRBBKY-UHFFFAOYSA-N 1 1 347.481 0.075 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000368725284 438374592 /nfs/dbraw/zinc/37/45/92/438374592.db2.gz UDSXBQPIYRBBKY-UHFFFAOYSA-N 1 1 347.481 0.075 20 30 ECEDMO N#Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000378354973 438378995 /nfs/dbraw/zinc/37/89/95/438378995.db2.gz MDMPMIMACLOVCI-CQSZACIVSA-N 1 1 344.375 0.780 20 30 ECEDMO C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000438875980 438489496 /nfs/dbraw/zinc/48/94/96/438489496.db2.gz RWNXFETZQPWSQD-NSHDSACASA-N 1 1 331.376 0.544 20 30 ECEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@@H]1C ZINC000441115896 438576628 /nfs/dbraw/zinc/57/66/28/438576628.db2.gz QIAGXBMOFPDGLZ-UONOGXRCSA-N 1 1 346.435 0.985 20 30 ECEDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@@H]1C ZINC000441115896 438576632 /nfs/dbraw/zinc/57/66/32/438576632.db2.gz QIAGXBMOFPDGLZ-UONOGXRCSA-N 1 1 346.435 0.985 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)CC1 ZINC000370153490 438555734 /nfs/dbraw/zinc/55/57/34/438555734.db2.gz ZFOUWPZDIYGNJY-BZSNNMDCSA-N 1 1 347.507 0.705 20 30 ECEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000444576024 438661562 /nfs/dbraw/zinc/66/15/62/438661562.db2.gz ZRLPNKPZIJREMP-OKILXGFUSA-N 1 1 346.435 1.114 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000453726181 438691865 /nfs/dbraw/zinc/69/18/65/438691865.db2.gz RJZMIBFXIFNSMZ-KGLIPLIRSA-N 1 1 344.415 0.719 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000453726181 438691869 /nfs/dbraw/zinc/69/18/69/438691869.db2.gz RJZMIBFXIFNSMZ-KGLIPLIRSA-N 1 1 344.415 0.719 20 30 ECEDMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453736790 438693205 /nfs/dbraw/zinc/69/32/05/438693205.db2.gz ZDWJAOWVBZPLOO-UHFFFAOYSA-N 1 1 344.415 0.606 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000453764627 438694407 /nfs/dbraw/zinc/69/44/07/438694407.db2.gz OYMBFCVNKJEGPT-MRXNPFEDSA-N 1 1 342.399 0.785 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000453764627 438694410 /nfs/dbraw/zinc/69/44/10/438694410.db2.gz OYMBFCVNKJEGPT-MRXNPFEDSA-N 1 1 342.399 0.785 20 30 ECEDMO Cn1cc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cn1 ZINC000575158121 438739891 /nfs/dbraw/zinc/73/98/91/438739891.db2.gz WKIYNJUOAKQUFZ-UHFFFAOYSA-N 1 1 333.417 0.985 20 30 ECEDMO N#CC1(CS(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CCCC1 ZINC000451673410 438707406 /nfs/dbraw/zinc/70/74/06/438707406.db2.gz VNDHJDDUJYCVAY-CQSZACIVSA-N 1 1 329.466 0.837 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2cc(C)ncc2C#N)CC1=O ZINC000601177967 438828682 /nfs/dbraw/zinc/82/86/82/438828682.db2.gz GKZGWOQLKMAFDJ-HNNXBMFYSA-N 1 1 331.420 0.275 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](Nc2ccc(C#N)c(C)n2)CC1=O ZINC000601178066 438828729 /nfs/dbraw/zinc/82/87/29/438828729.db2.gz KCPLUOXLUDQFLB-OAHLLOKOSA-N 1 1 331.420 0.853 20 30 ECEDMO N#Cc1ccnc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000588369182 438831442 /nfs/dbraw/zinc/83/14/42/438831442.db2.gz OFMOISBQCZVTBJ-HNNXBMFYSA-N 1 1 329.404 0.090 20 30 ECEDMO C[NH+](C)C1(CS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000601313588 438845612 /nfs/dbraw/zinc/84/56/12/438845612.db2.gz SUMATMDTJYPIIY-UHFFFAOYSA-N 1 1 349.460 0.499 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@H]2COCCO2)CC1 ZINC000595737042 438853643 /nfs/dbraw/zinc/85/36/43/438853643.db2.gz PPKRKLGJHQTZAE-JKSUJKDBSA-N 1 1 338.452 0.026 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@H]2COCCO2)CC1 ZINC000595737042 438853646 /nfs/dbraw/zinc/85/36/46/438853646.db2.gz PPKRKLGJHQTZAE-JKSUJKDBSA-N 1 1 338.452 0.026 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000595738464 438854331 /nfs/dbraw/zinc/85/43/31/438854331.db2.gz ISJVJXGDSAGYEJ-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000589139394 438858216 /nfs/dbraw/zinc/85/82/16/438858216.db2.gz YFGQZCCHCSLGEO-CJNGLKHVSA-N 1 1 344.415 0.352 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000589139394 438858222 /nfs/dbraw/zinc/85/82/22/438858222.db2.gz YFGQZCCHCSLGEO-CJNGLKHVSA-N 1 1 344.415 0.352 20 30 ECEDMO N#Cc1cc(O)cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000589181055 438860575 /nfs/dbraw/zinc/86/05/75/438860575.db2.gz SYLHZDFABKUMEU-MRXNPFEDSA-N 1 1 344.415 0.400 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000577859527 438876337 /nfs/dbraw/zinc/87/63/37/438876337.db2.gz CVJSTFWAOZMKTC-CYBMUJFWSA-N 1 1 333.413 0.685 20 30 ECEDMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601473816 438909462 /nfs/dbraw/zinc/90/94/62/438909462.db2.gz JZHVHYRGRBHSCT-UHFFFAOYSA-N 1 1 346.435 0.098 20 30 ECEDMO C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[N@@H+](C)C1CC1 ZINC000516503949 438909691 /nfs/dbraw/zinc/90/96/91/438909691.db2.gz AJEAAOCIJOTTQE-LLVKDONJSA-N 1 1 333.440 0.920 20 30 ECEDMO CNC(=O)CCCNc1cc(C)[nH+]c(NCCCC(=O)NC)c1C#N ZINC000596081016 438923489 /nfs/dbraw/zinc/92/34/89/438923489.db2.gz ANYFJCIBDARSMS-UHFFFAOYSA-N 1 1 346.435 1.138 20 30 ECEDMO CCc1nc(C#N)cc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000596076951 438923599 /nfs/dbraw/zinc/92/35/99/438923599.db2.gz DMYGPFVSKNYNEF-UHFFFAOYSA-N 1 1 342.447 0.901 20 30 ECEDMO C=CCCSCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000596133610 438930529 /nfs/dbraw/zinc/93/05/29/438930529.db2.gz XTBTUYNPRFXAGK-UHFFFAOYSA-N 1 1 328.482 0.759 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCN(CCC#N)CC1)[NH+]1CCOCC1 ZINC000601545882 438931094 /nfs/dbraw/zinc/93/10/94/438931094.db2.gz IEARTMYFHZLHHN-INIZCTEOSA-N 1 1 337.468 0.584 20 30 ECEDMO Cc1cc(NC2COCCOC2)c(C#N)c(NC2COCCOC2)[nH+]1 ZINC000596238663 438946692 /nfs/dbraw/zinc/94/66/92/438946692.db2.gz WXZSSOMNRMQGTD-UHFFFAOYSA-N 1 1 348.403 0.916 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)ccc1C#N ZINC000590783699 438958230 /nfs/dbraw/zinc/95/82/30/438958230.db2.gz UXILUWXCRRRFDL-UHFFFAOYSA-N 1 1 345.403 0.115 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)ccc1C#N ZINC000590783699 438958234 /nfs/dbraw/zinc/95/82/34/438958234.db2.gz UXILUWXCRRRFDL-UHFFFAOYSA-N 1 1 345.403 0.115 20 30 ECEDMO C[C@@](O)(CNC(=O)NCc1ccc(CC#N)cc1)C[NH+]1CCOCC1 ZINC000565889252 438986780 /nfs/dbraw/zinc/98/67/80/438986780.db2.gz HJMYFNVLQGCYIL-GOSISDBHSA-N 1 1 346.431 0.635 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[N@@H+](C)C1 ZINC000591155791 438986979 /nfs/dbraw/zinc/98/69/79/438986979.db2.gz CUTMNMYWMSXGNL-CQSZACIVSA-N 1 1 348.378 0.944 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC[N@@H+]1CCO ZINC000602032784 438999982 /nfs/dbraw/zinc/99/99/82/438999982.db2.gz KHUAWWAQPWRXEE-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC[N@H+]1CCO ZINC000602032784 438999986 /nfs/dbraw/zinc/99/99/86/438999986.db2.gz KHUAWWAQPWRXEE-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO N#CCC(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000579488907 439014102 /nfs/dbraw/zinc/01/41/02/439014102.db2.gz AVTZSQFDCOBGGC-UHFFFAOYSA-N 1 1 325.372 0.945 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCC1(C#N)CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000597317678 439077094 /nfs/dbraw/zinc/07/70/94/439077094.db2.gz HAHFBIIMPPDWQJ-KBPBESRZSA-N 1 1 336.436 0.412 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCC1(C#N)CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000597317678 439077101 /nfs/dbraw/zinc/07/71/01/439077101.db2.gz HAHFBIIMPPDWQJ-KBPBESRZSA-N 1 1 336.436 0.412 20 30 ECEDMO COC(=O)CCN1CCC[C@H]([NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602850207 439145387 /nfs/dbraw/zinc/14/53/87/439145387.db2.gz PNOYSIQPWGGICF-KKUMJFAQSA-N 1 1 336.436 0.459 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC000567502116 439149014 /nfs/dbraw/zinc/14/90/14/439149014.db2.gz XZHCVWFFQFPTGP-OAHLLOKOSA-N 1 1 337.445 0.378 20 30 ECEDMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3ccc(CC#N)cc3)[C@@H]2C1 ZINC000581130142 439173879 /nfs/dbraw/zinc/17/38/79/439173879.db2.gz IGPXRDADAXUZAH-DLBZAZTESA-N 1 1 340.427 0.921 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000592141193 439163963 /nfs/dbraw/zinc/16/39/63/439163963.db2.gz IXHQPZPDWFBLOV-IKGGRYGDSA-N 1 1 334.464 0.790 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)[C@H]1CCC[C@H]1C#N)c(=O)n2C ZINC000602979228 439175169 /nfs/dbraw/zinc/17/51/69/439175169.db2.gz BFBRMPQXBVRGAY-STQMWFEESA-N 1 1 344.419 0.448 20 30 ECEDMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)cc2C1 ZINC000592304116 439197169 /nfs/dbraw/zinc/19/71/69/439197169.db2.gz CUIKPCSNYDCKRA-KRWDZBQOSA-N 1 1 328.372 0.448 20 30 ECEDMO C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)cc2C1 ZINC000592304116 439197175 /nfs/dbraw/zinc/19/71/75/439197175.db2.gz CUIKPCSNYDCKRA-KRWDZBQOSA-N 1 1 328.372 0.448 20 30 ECEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2ncnc(N3CCOCC3)c2C1 ZINC000598588805 439281796 /nfs/dbraw/zinc/28/17/96/439281796.db2.gz COMDNGSFGSLIIH-CQSZACIVSA-N 1 1 345.447 0.972 20 30 ECEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2ncnc(N3CCOCC3)c2C1 ZINC000598588805 439281797 /nfs/dbraw/zinc/28/17/97/439281797.db2.gz COMDNGSFGSLIIH-CQSZACIVSA-N 1 1 345.447 0.972 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000527297501 439263553 /nfs/dbraw/zinc/26/35/53/439263553.db2.gz MJNAOOJDUJUYMU-NSHDSACASA-N 1 1 329.408 0.679 20 30 ECEDMO N#Cc1ccc(CNC(=O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000604499409 439317397 /nfs/dbraw/zinc/31/73/97/439317397.db2.gz CFGACWJPOXAXBB-SFHVURJKSA-N 1 1 342.443 0.971 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)ncc1C#N ZINC000569256274 439318307 /nfs/dbraw/zinc/31/83/07/439318307.db2.gz GVGSHCWKQRJQKI-AWEZNQCLSA-N 1 1 327.388 0.895 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC ZINC000491067865 439327397 /nfs/dbraw/zinc/32/73/97/439327397.db2.gz KOTUMKAGBCPNDA-KBPBESRZSA-N 1 1 330.450 0.593 20 30 ECEDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528374246 439330352 /nfs/dbraw/zinc/33/03/52/439330352.db2.gz WRNSWTVYQWTGCP-ZIAGYGMSSA-N 1 1 339.395 0.872 20 30 ECEDMO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)c1C#N ZINC000598931005 439331144 /nfs/dbraw/zinc/33/11/44/439331144.db2.gz FUMPTCSWASVQRS-CMPLNLGQSA-N 1 1 341.419 1.461 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)COC[C@H]3CCCO3)C2)nc1 ZINC000582158369 439297651 /nfs/dbraw/zinc/29/76/51/439297651.db2.gz YYMPFJRBXQYVJM-GVDBMIGSSA-N 1 1 347.415 0.963 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)CCN(C)c2ccccc2)CC1 ZINC000490781186 439299096 /nfs/dbraw/zinc/29/90/96/439299096.db2.gz YBXGUUIRYPZZOE-UHFFFAOYSA-N 1 1 328.460 0.832 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)CCN(C)c2ccccc2)CC1 ZINC000490781186 439299099 /nfs/dbraw/zinc/29/90/99/439299099.db2.gz YBXGUUIRYPZZOE-UHFFFAOYSA-N 1 1 328.460 0.832 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)CC1 ZINC000490851290 439303311 /nfs/dbraw/zinc/30/33/11/439303311.db2.gz GIWHUKOSTVMHJS-OCCSQVGLSA-N 1 1 333.354 0.151 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)CC1 ZINC000490851290 439303316 /nfs/dbraw/zinc/30/33/16/439303316.db2.gz GIWHUKOSTVMHJS-OCCSQVGLSA-N 1 1 333.354 0.151 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2nc(C)nn2-c2ccc(C#N)cc2)C1 ZINC000598685775 439304419 /nfs/dbraw/zinc/30/44/19/439304419.db2.gz RNLUSIRFKOCTQX-HNNXBMFYSA-N 1 1 340.387 0.529 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2nc(C)nn2-c2ccc(C#N)cc2)C1 ZINC000598685775 439304422 /nfs/dbraw/zinc/30/44/22/439304422.db2.gz RNLUSIRFKOCTQX-HNNXBMFYSA-N 1 1 340.387 0.529 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000491267445 439360620 /nfs/dbraw/zinc/36/06/20/439360620.db2.gz TZBWELTZKVXKAP-GJZGRUSLSA-N 1 1 333.432 0.623 20 30 ECEDMO C#CCn1ccc(CN(CC)C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000491285823 439363325 /nfs/dbraw/zinc/36/33/25/439363325.db2.gz FQQNYPYGLUWTNX-SOLBZPMBSA-N 1 1 334.464 0.808 20 30 ECEDMO C#CCn1ccc(CN(CC)C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000491285823 439363331 /nfs/dbraw/zinc/36/33/31/439363331.db2.gz FQQNYPYGLUWTNX-SOLBZPMBSA-N 1 1 334.464 0.808 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)ncc1C#N ZINC000582496403 439344003 /nfs/dbraw/zinc/34/40/03/439344003.db2.gz ISYYILGJTCXXQV-UHFFFAOYSA-N 1 1 331.376 0.039 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)ncc1C#N ZINC000582496403 439344008 /nfs/dbraw/zinc/34/40/08/439344008.db2.gz ISYYILGJTCXXQV-UHFFFAOYSA-N 1 1 331.376 0.039 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000491393475 439375861 /nfs/dbraw/zinc/37/58/61/439375861.db2.gz HSRBXRLEZNRZDV-AWEZNQCLSA-N 1 1 346.435 0.170 20 30 ECEDMO C[N@@H+](CCNC(=O)N1CCN(c2cnccc2C#N)CC1)C1CC1 ZINC000570109630 439392163 /nfs/dbraw/zinc/39/21/63/439392163.db2.gz CCIPHMLRQXNJGC-UHFFFAOYSA-N 1 1 328.420 0.879 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000491494225 439394178 /nfs/dbraw/zinc/39/41/78/439394178.db2.gz BIHZBJYWRWEYMS-KRWDZBQOSA-N 1 1 336.480 0.695 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000491494225 439394182 /nfs/dbraw/zinc/39/41/82/439394182.db2.gz BIHZBJYWRWEYMS-KRWDZBQOSA-N 1 1 336.480 0.695 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000491452804 439386530 /nfs/dbraw/zinc/38/65/30/439386530.db2.gz NLSUWBRDGXXZJM-INIZCTEOSA-N 1 1 334.464 0.889 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@H](CC(C)C)N1CCOCC1 ZINC000491620333 439413346 /nfs/dbraw/zinc/41/33/46/439413346.db2.gz DRQHUAMVFRCPOH-KRWDZBQOSA-N 1 1 338.496 0.988 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(c3nc(C)no3)CC2)CC1 ZINC000491668825 439424650 /nfs/dbraw/zinc/42/46/50/439424650.db2.gz BSZLEBSYFCMNOA-UHFFFAOYSA-N 1 1 331.420 0.335 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CCOC)[C@@H]2CCCSC2)CC1 ZINC000491727790 439437096 /nfs/dbraw/zinc/43/70/96/439437096.db2.gz CFRDAJSWUXMLRT-MRXNPFEDSA-N 1 1 339.505 0.608 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)Cc1ccc(C(=O)NC)cc1 ZINC000491737350 439440437 /nfs/dbraw/zinc/44/04/37/439440437.db2.gz RTYDDRHNDQJCGQ-UHFFFAOYSA-N 1 1 337.445 0.421 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000491750453 439441819 /nfs/dbraw/zinc/44/18/19/439441819.db2.gz SFIWNZADGNCPFV-CQSZACIVSA-N 1 1 329.466 0.550 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000491750453 439441825 /nfs/dbraw/zinc/44/18/25/439441825.db2.gz SFIWNZADGNCPFV-CQSZACIVSA-N 1 1 329.466 0.550 20 30 ECEDMO C#CCN(C(=O)N[C@H](C)C[N@H+](C)CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000491771842 439445727 /nfs/dbraw/zinc/44/57/27/439445727.db2.gz PDIJGNDTXQKXTP-CABCVRRESA-N 1 1 343.493 0.939 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000491569331 439408111 /nfs/dbraw/zinc/40/81/11/439408111.db2.gz VPZBKJLNLIZKFQ-JKSUJKDBSA-N 1 1 337.464 0.808 20 30 ECEDMO C[C@H]([NH3+])CNC(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593779249 439465860 /nfs/dbraw/zinc/46/58/60/439465860.db2.gz PRDNKAFIHHECPW-ZDUSSCGKSA-N 1 1 343.431 0.102 20 30 ECEDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599434733 439468060 /nfs/dbraw/zinc/46/80/60/439468060.db2.gz GWAPCYWXILJOER-HUUCEWRRSA-N 1 1 338.452 0.793 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599435830 439468608 /nfs/dbraw/zinc/46/86/08/439468608.db2.gz BWWKBUHEEBJOCH-KBPBESRZSA-N 1 1 342.461 0.896 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3cn[nH]c3)CC2)cc1 ZINC000599440292 439468639 /nfs/dbraw/zinc/46/86/39/439468639.db2.gz IYRALJSLPZBOAV-QGZVFWFLSA-N 1 1 341.415 0.839 20 30 ECEDMO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H](C)O1 ZINC000599450425 439474115 /nfs/dbraw/zinc/47/41/15/439474115.db2.gz GCZYADRSOJONKM-IHRRRGAJSA-N 1 1 326.393 0.320 20 30 ECEDMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H](C)O1 ZINC000599450425 439474119 /nfs/dbraw/zinc/47/41/19/439474119.db2.gz GCZYADRSOJONKM-IHRRRGAJSA-N 1 1 326.393 0.320 20 30 ECEDMO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000593844152 439476252 /nfs/dbraw/zinc/47/62/52/439476252.db2.gz JQHJDEJXVNLYAN-LBPRGKRZSA-N 1 1 326.404 1.317 20 30 ECEDMO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856744 439478120 /nfs/dbraw/zinc/47/81/20/439478120.db2.gz OENPQLUNMDKBMW-CXAGYDPISA-N 1 1 337.420 0.525 20 30 ECEDMO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856744 439478126 /nfs/dbraw/zinc/47/81/26/439478126.db2.gz OENPQLUNMDKBMW-CXAGYDPISA-N 1 1 337.420 0.525 20 30 ECEDMO N#Cc1csc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000531117863 439506387 /nfs/dbraw/zinc/50/63/87/439506387.db2.gz RFIHSUHGTPHMMW-UONOGXRCSA-N 1 1 341.458 0.207 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000599569280 439509330 /nfs/dbraw/zinc/50/93/30/439509330.db2.gz WZJIBRBXLFXLKV-QGZVFWFLSA-N 1 1 337.420 0.935 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000599569280 439509336 /nfs/dbraw/zinc/50/93/36/439509336.db2.gz WZJIBRBXLFXLKV-QGZVFWFLSA-N 1 1 337.420 0.935 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000491815757 439457740 /nfs/dbraw/zinc/45/77/40/439457740.db2.gz LOAYYWSSVHUDEH-SJORKVTESA-N 1 1 336.480 0.884 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)CC1 ZINC000491814880 439457955 /nfs/dbraw/zinc/45/79/55/439457955.db2.gz DPVXJVSMQRAAHU-XYJFISCASA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)CC1 ZINC000491814880 439457961 /nfs/dbraw/zinc/45/79/61/439457961.db2.gz DPVXJVSMQRAAHU-XYJFISCASA-N 1 1 335.448 0.032 20 30 ECEDMO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1Cl ZINC000571751306 439527509 /nfs/dbraw/zinc/52/75/09/439527509.db2.gz OXMZKAXTJAWAFA-PHIMTYICSA-N 1 1 332.747 0.355 20 30 ECEDMO N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1Cl ZINC000571751306 439527512 /nfs/dbraw/zinc/52/75/12/439527512.db2.gz OXMZKAXTJAWAFA-PHIMTYICSA-N 1 1 332.747 0.355 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ncc1C#N ZINC000594292942 439538038 /nfs/dbraw/zinc/53/80/38/439538038.db2.gz RLXBRBDCKGQZNW-YPMHNXCESA-N 1 1 331.376 0.036 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ncc1C#N ZINC000594292942 439538042 /nfs/dbraw/zinc/53/80/42/439538042.db2.gz RLXBRBDCKGQZNW-YPMHNXCESA-N 1 1 331.376 0.036 20 30 ECEDMO C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000539213117 439545577 /nfs/dbraw/zinc/54/55/77/439545577.db2.gz JNZMNKQPANECNE-LLVKDONJSA-N 1 1 331.376 0.401 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000585712188 439645085 /nfs/dbraw/zinc/64/50/85/439645085.db2.gz ACZAYUOBPKSMFQ-WFASDCNBSA-N 1 1 330.388 0.010 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000585712188 439645089 /nfs/dbraw/zinc/64/50/89/439645089.db2.gz ACZAYUOBPKSMFQ-WFASDCNBSA-N 1 1 330.388 0.010 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000585712185 439645413 /nfs/dbraw/zinc/64/54/13/439645413.db2.gz ACZAYUOBPKSMFQ-DOMZBBRYSA-N 1 1 330.388 0.010 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000585712185 439645416 /nfs/dbraw/zinc/64/54/16/439645416.db2.gz ACZAYUOBPKSMFQ-DOMZBBRYSA-N 1 1 330.388 0.010 20 30 ECEDMO N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000586811384 439661550 /nfs/dbraw/zinc/66/15/50/439661550.db2.gz ZSWYKXIPZPURQD-ZDUSSCGKSA-N 1 1 330.363 0.666 20 30 ECEDMO N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000586859124 439664106 /nfs/dbraw/zinc/66/41/06/439664106.db2.gz STPKTAVGVUYARZ-HNNXBMFYSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000586863797 439664880 /nfs/dbraw/zinc/66/48/80/439664880.db2.gz ASSOUSPDHIRKLN-IAQYHMDHSA-N 1 1 348.378 0.149 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000586863797 439664885 /nfs/dbraw/zinc/66/48/85/439664885.db2.gz ASSOUSPDHIRKLN-IAQYHMDHSA-N 1 1 348.378 0.149 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595165921 439666152 /nfs/dbraw/zinc/66/61/52/439666152.db2.gz LDRIKYCPMXZJPV-KDOFPFPSSA-N 1 1 348.447 0.460 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000612414614 439703241 /nfs/dbraw/zinc/70/32/41/439703241.db2.gz NKBMCRLFUAPUNJ-HUUCEWRRSA-N 1 1 325.453 0.932 20 30 ECEDMO Cc1onc(CC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1C#N ZINC000611528519 439704382 /nfs/dbraw/zinc/70/43/82/439704382.db2.gz NLKBVYFRDXXQBG-CQSZACIVSA-N 1 1 331.420 0.636 20 30 ECEDMO CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000611581140 439708859 /nfs/dbraw/zinc/70/88/59/439708859.db2.gz YBIHFBGEZVDSPM-CYBMUJFWSA-N 1 1 345.451 0.922 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1nnnn1CC1CC1 ZINC000600738044 439698081 /nfs/dbraw/zinc/69/80/81/439698081.db2.gz XWUQPLZKRIJFIN-AWEZNQCLSA-N 1 1 328.376 0.484 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000615272798 439797706 /nfs/dbraw/zinc/79/77/06/439797706.db2.gz LPSNVKYARBEXJE-UHFFFAOYSA-N 1 1 330.432 0.966 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(CC[N@H+](CCCO)C3)C2)nn1 ZINC001041732191 782076061 /nfs/dbraw/zinc/07/60/61/782076061.db2.gz GELLHBKCOHFZOS-QGZVFWFLSA-N 1 1 333.436 0.775 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CC[C@](F)(C#N)C1)N1CC[NH+](C)CC1 ZINC000615578200 439802832 /nfs/dbraw/zinc/80/28/32/439802832.db2.gz ZMXQTKVGHSJLFP-ZBFHGGJFSA-N 1 1 325.432 0.906 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000641655720 439880812 /nfs/dbraw/zinc/88/08/12/439880812.db2.gz WHSOCDJBQYYTFN-UONOGXRCSA-N 1 1 337.445 0.406 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC23CCOCC3)CC1 ZINC000618318185 440105395 /nfs/dbraw/zinc/10/53/95/440105395.db2.gz HNRRNTCCIRZZTA-MRXNPFEDSA-N 1 1 334.464 0.934 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nn1 ZINC000648337973 440279992 /nfs/dbraw/zinc/27/99/92/440279992.db2.gz XGCBZECXZMUOPZ-XYPWUTKMSA-N 1 1 344.463 0.847 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000649187624 440409621 /nfs/dbraw/zinc/40/96/21/440409621.db2.gz UHGQNWXZGRSCQR-OAGGEKHMSA-N 1 1 335.448 0.210 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000656192163 440744594 /nfs/dbraw/zinc/74/45/94/440744594.db2.gz AUYVPBOFUNYKIA-YCPHGPKFSA-N 1 1 327.425 0.102 20 30 ECEDMO C=CC[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@@H](C)COC ZINC000661241012 440820332 /nfs/dbraw/zinc/82/03/32/440820332.db2.gz VGWLPJPPKBABSL-HNNXBMFYSA-N 1 1 333.436 0.648 20 30 ECEDMO C=CC[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@@H](C)COC ZINC000661241012 440820335 /nfs/dbraw/zinc/82/03/35/440820335.db2.gz VGWLPJPPKBABSL-HNNXBMFYSA-N 1 1 333.436 0.648 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000656899820 440870194 /nfs/dbraw/zinc/87/01/94/440870194.db2.gz PEBPRTQPIDIBDY-HIFRSBDPSA-N 1 1 332.466 0.608 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)n1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000640919787 441025323 /nfs/dbraw/zinc/02/53/23/441025323.db2.gz GKQOACUBQRUSNR-GOEBONIOSA-N 1 1 333.436 0.996 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)n1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000640919787 441025330 /nfs/dbraw/zinc/02/53/30/441025330.db2.gz GKQOACUBQRUSNR-GOEBONIOSA-N 1 1 333.436 0.996 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000189396989 533705136 /nfs/dbraw/zinc/70/51/36/533705136.db2.gz YICLRACCWHRKFI-TZMCWYRMSA-N 1 1 334.445 0.723 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078006022 782121119 /nfs/dbraw/zinc/12/11/19/782121119.db2.gz PWJLFKODNRWPGS-DAXOMENPSA-N 1 1 348.472 0.623 20 30 ECEDMO Cn1cncc1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078008336 782124808 /nfs/dbraw/zinc/12/48/08/782124808.db2.gz DRAIPKLOHSPBQG-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1cncc1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078008336 782124817 /nfs/dbraw/zinc/12/48/17/782124817.db2.gz DRAIPKLOHSPBQG-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000265235019 536356606 /nfs/dbraw/zinc/35/66/06/536356606.db2.gz RMZSFZJWADTDQT-UHFFFAOYSA-N 1 1 344.459 0.953 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC(=O)N2CCCCC2)C1 ZINC000328660005 546003185 /nfs/dbraw/zinc/00/31/85/546003185.db2.gz UORKPMFXFBJMHP-HNNXBMFYSA-N 1 1 340.468 0.859 20 30 ECEDMO CS(=O)(=O)N1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000328662354 546003210 /nfs/dbraw/zinc/00/32/10/546003210.db2.gz XFZBYTIIUSHKKE-KGLIPLIRSA-N 1 1 344.481 0.495 20 30 ECEDMO CN1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000328831748 546007077 /nfs/dbraw/zinc/00/70/77/546007077.db2.gz RHXUMTQDZMXQSF-CABCVRRESA-N 1 1 337.468 0.281 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CSCC(=O)N1CCCCC1 ZINC000329400594 546021897 /nfs/dbraw/zinc/02/18/97/546021897.db2.gz YSNPPYDVGDSBNP-CQSZACIVSA-N 1 1 342.509 0.934 20 30 ECEDMO CC1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)COC1 ZINC000329408519 546022384 /nfs/dbraw/zinc/02/23/84/546022384.db2.gz CNIBLXBEFOFDEG-CQSZACIVSA-N 1 1 339.436 0.693 20 30 ECEDMO Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000330005452 546036800 /nfs/dbraw/zinc/03/68/00/546036800.db2.gz DGMATVMXGMQLDT-CQSZACIVSA-N 1 1 345.451 0.773 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000330266928 546042295 /nfs/dbraw/zinc/04/22/95/546042295.db2.gz HVNQQDSIKWCRLC-ZDUSSCGKSA-N 1 1 332.470 0.352 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1COCCO1 ZINC000330272933 546042748 /nfs/dbraw/zinc/04/27/48/546042748.db2.gz YJXTUHMOCCTEFL-DZGCQCFKSA-N 1 1 327.425 0.501 20 30 ECEDMO C[C@@H](C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)n1cnc(C#N)n1 ZINC000619599853 546345396 /nfs/dbraw/zinc/34/53/96/546345396.db2.gz HKZNJXHNHUAEAP-OLZOCXBDSA-N 1 1 332.408 0.422 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000619622648 546349129 /nfs/dbraw/zinc/34/91/29/546349129.db2.gz SUYODVCQOKVZJN-USXIJHARSA-N 1 1 329.400 0.703 20 30 ECEDMO C=C(CNC(=O)C[NH+]1CC[C@@H](C)C1)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000620749647 546451316 /nfs/dbraw/zinc/45/13/16/546451316.db2.gz HXIDSTPAVDCQEF-HUUCEWRRSA-N 1 1 336.480 0.459 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000625529711 547139312 /nfs/dbraw/zinc/13/93/12/547139312.db2.gz REXBNTWTTMEXPW-OAHLLOKOSA-N 1 1 349.394 0.900 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626169243 547307808 /nfs/dbraw/zinc/30/78/08/547307808.db2.gz IPIKSGCXFSRBDH-HUUCEWRRSA-N 1 1 343.493 0.837 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1O ZINC001078027700 782170024 /nfs/dbraw/zinc/17/00/24/782170024.db2.gz DGLJUICMKLOXDU-NWANDNLSSA-N 1 1 335.379 0.617 20 30 ECEDMO C=CCC1([NH2+]Cc2nccn2S(=O)(=O)N(C)C)CCOCC1 ZINC000668550518 547683822 /nfs/dbraw/zinc/68/38/22/547683822.db2.gz BDABZSKNFSIZTC-UHFFFAOYSA-N 1 1 328.438 0.753 20 30 ECEDMO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC[N@H+](C)CCOC ZINC000668751170 547740591 /nfs/dbraw/zinc/74/05/91/547740591.db2.gz RJYRWPKRYZTMTJ-LSDHHAIUSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCn1c(-c2cn(C)nn2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000669036978 547817325 /nfs/dbraw/zinc/81/73/25/547817325.db2.gz WDBIMOGQAAUTCD-ZDUSSCGKSA-N 1 1 328.424 0.933 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C[N@H+]1C1CC1 ZINC000753705266 579404476 /nfs/dbraw/zinc/40/44/76/579404476.db2.gz JNIHKOPDCGMAFH-TZVNHLMSSA-N 1 1 332.404 0.644 20 30 ECEDMO N#Cc1c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1S(N)(=O)=O ZINC000754990583 579427364 /nfs/dbraw/zinc/42/73/64/579427364.db2.gz NYBSTQHUQMSYMJ-NEPJUHHUSA-N 1 1 336.417 0.481 20 30 ECEDMO Cc1nn(C)c(N2CCOCC2)c1C=NNCC[NH+]1CCCCC1 ZINC000755657837 579436509 /nfs/dbraw/zinc/43/65/09/579436509.db2.gz RGDOJHVHLYVVLC-UHFFFAOYSA-N 1 1 334.468 0.975 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000757195725 579460124 /nfs/dbraw/zinc/46/01/24/579460124.db2.gz ODBUCVWNTVFCNY-MGPWXQLLSA-N 1 1 348.447 0.997 20 30 ECEDMO COc1cc[nH+]c(N2CCN(Cn3cccc(C#N)c3=O)CC2)c1 ZINC000758220131 579468846 /nfs/dbraw/zinc/46/88/46/579468846.db2.gz MTPZFHCYTUMABF-UHFFFAOYSA-N 1 1 325.372 0.903 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000758340167 579471326 /nfs/dbraw/zinc/47/13/26/579471326.db2.gz WTKGEVBIVNQRGX-JUZOZWJJSA-N 1 1 332.404 0.502 20 30 ECEDMO C[NH+]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 ZINC000758769376 579481435 /nfs/dbraw/zinc/48/14/35/579481435.db2.gz IYPIQASFBCWRLY-CHWSQXEVSA-N 1 1 337.424 0.702 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc1 ZINC000729497639 578296071 /nfs/dbraw/zinc/29/60/71/578296071.db2.gz XRSHQFLVRHOIDF-GJZGRUSLSA-N 1 1 344.419 0.528 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000732467607 578326059 /nfs/dbraw/zinc/32/60/59/578326059.db2.gz WAECXXVOALFAHG-UWZWCOGJSA-N 1 1 347.419 0.296 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCO1 ZINC000793913129 578566350 /nfs/dbraw/zinc/56/63/50/578566350.db2.gz QAHVHDSZBWQAKR-ALYAQQCSSA-N 1 1 349.475 0.766 20 30 ECEDMO CC(=NNCCC[NH+]1CCOCC1)c1cccc(-n2cnnn2)c1 ZINC000799490697 578666176 /nfs/dbraw/zinc/66/61/76/578666176.db2.gz ORYOZAJNUHPMLM-UHFFFAOYSA-N 1 1 329.408 0.698 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccc(C#N)cn2)CC1 ZINC000780643043 578698322 /nfs/dbraw/zinc/69/83/22/578698322.db2.gz LCZVFANTOXCCLJ-UHFFFAOYSA-N 1 1 331.420 0.941 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000783012820 578737483 /nfs/dbraw/zinc/73/74/83/578737483.db2.gz IYMIMBOSPQCHCV-AWEZNQCLSA-N 1 1 329.466 0.857 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788005378 578825364 /nfs/dbraw/zinc/82/53/64/578825364.db2.gz XPWYYYGXNCKMOM-UHFFFAOYSA-N 1 1 327.425 0.640 20 30 ECEDMO CCOC(=O)CON=C(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1cc[nH]n1 ZINC000789963675 578864311 /nfs/dbraw/zinc/86/43/11/578864311.db2.gz PSQAUYSWXNMTKC-LLVKDONJSA-N 1 1 349.391 0.046 20 30 ECEDMO CCOC(=O)CON=C(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccn[nH]1 ZINC000789963675 578864312 /nfs/dbraw/zinc/86/43/12/578864312.db2.gz PSQAUYSWXNMTKC-LLVKDONJSA-N 1 1 349.391 0.046 20 30 ECEDMO CCOC(=O)CON=C(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccn[nH]1 ZINC000789963675 578864313 /nfs/dbraw/zinc/86/43/13/578864313.db2.gz PSQAUYSWXNMTKC-LLVKDONJSA-N 1 1 349.391 0.046 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000765745966 579073318 /nfs/dbraw/zinc/07/33/18/579073318.db2.gz UJMRMRIUUVLXMO-INIZCTEOSA-N 1 1 346.406 0.771 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000765745966 579073319 /nfs/dbraw/zinc/07/33/19/579073319.db2.gz UJMRMRIUUVLXMO-INIZCTEOSA-N 1 1 346.406 0.771 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000766344618 579085735 /nfs/dbraw/zinc/08/57/35/579085735.db2.gz BPYCQVYPSSTZBQ-MRXNPFEDSA-N 1 1 326.400 0.442 20 30 ECEDMO CC(=O)N1CC[C@H](C[N@@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766630979 579090349 /nfs/dbraw/zinc/09/03/49/579090349.db2.gz CBJOIRRARDRVGR-CQSZACIVSA-N 1 1 328.416 0.966 20 30 ECEDMO CC(=O)N1CC[C@H](C[N@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766630979 579090350 /nfs/dbraw/zinc/09/03/50/579090350.db2.gz CBJOIRRARDRVGR-CQSZACIVSA-N 1 1 328.416 0.966 20 30 ECEDMO C[N@H+]1CCCN(c2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)CC1 ZINC000769127653 579139484 /nfs/dbraw/zinc/13/94/84/579139484.db2.gz RUKXZMLHFXEOSB-UHFFFAOYSA-N 1 1 339.403 0.930 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)NCCOc1ccc2c(c1)OCO2)[C@@H]1CCCO1 ZINC000775790852 579271241 /nfs/dbraw/zinc/27/12/41/579271241.db2.gz JQQANLLCSIEXOD-CABCVRRESA-N 1 1 346.383 0.681 20 30 ECEDMO C#C[C@@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000776232979 579278350 /nfs/dbraw/zinc/27/83/50/579278350.db2.gz UUOCCRAZKSPHTD-SJORKVTESA-N 1 1 336.480 0.835 20 30 ECEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762700199 579546060 /nfs/dbraw/zinc/54/60/60/579546060.db2.gz LLDKMXWWJYBQST-SJCJKPOMSA-N 1 1 346.387 0.099 20 30 ECEDMO N#Cc1cccnc1-n1cc(NC(=O)CC[NH+]2CCOCC2)cn1 ZINC000764430566 579575966 /nfs/dbraw/zinc/57/59/66/579575966.db2.gz JWGGLSFVYQODGN-UHFFFAOYSA-N 1 1 326.360 0.800 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1 ZINC000743920152 579803425 /nfs/dbraw/zinc/80/34/25/579803425.db2.gz TXAYVQXUTXTDMK-HNNXBMFYSA-N 1 1 345.399 0.474 20 30 ECEDMO C#CCCN1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000746190367 579832311 /nfs/dbraw/zinc/83/23/11/579832311.db2.gz HVYBPTKTFUMZLZ-FQEVSTJZSA-N 1 1 341.455 0.791 20 30 ECEDMO CN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000746249574 579834279 /nfs/dbraw/zinc/83/42/79/579834279.db2.gz JQHQONCSPQZDQM-WPCFGXOUSA-N 1 1 332.404 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)COCCOC(C)C ZINC000747423806 579852020 /nfs/dbraw/zinc/85/20/20/579852020.db2.gz XOMSYEGZGTXEAH-CVEARBPZSA-N 1 1 326.437 0.345 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)COCCOC(C)C ZINC000747423806 579852021 /nfs/dbraw/zinc/85/20/21/579852021.db2.gz XOMSYEGZGTXEAH-CVEARBPZSA-N 1 1 326.437 0.345 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000835136446 588904900 /nfs/dbraw/zinc/90/49/00/588904900.db2.gz QHXQGFBGAJDLKK-JKSUJKDBSA-N 1 1 342.399 0.785 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000835482719 588910980 /nfs/dbraw/zinc/91/09/80/588910980.db2.gz WPCACOQKGOTSJI-MRXNPFEDSA-N 1 1 329.400 0.569 20 30 ECEDMO C#CC[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837943272 588966480 /nfs/dbraw/zinc/96/64/80/588966480.db2.gz ODLQJBLIRXUYGE-HZPDHXFCSA-N 1 1 330.384 0.569 20 30 ECEDMO C#CC[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837943272 588966481 /nfs/dbraw/zinc/96/64/81/588966481.db2.gz ODLQJBLIRXUYGE-HZPDHXFCSA-N 1 1 330.384 0.569 20 30 ECEDMO N#Cc1cccc(C=NNC(=S)NCCC[NH+]2CCOCC2)n1 ZINC000841608119 588996668 /nfs/dbraw/zinc/99/66/68/588996668.db2.gz UMZDMNKNWZHEGZ-UHFFFAOYSA-N 1 1 332.433 0.474 20 30 ECEDMO C[C@@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)c2ncnn21 ZINC000841606948 588996412 /nfs/dbraw/zinc/99/64/12/588996412.db2.gz ABOPHRSBNFTHGM-LLVKDONJSA-N 1 1 337.453 0.133 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCNc1ncccc1C#N ZINC000842174166 589017025 /nfs/dbraw/zinc/01/70/25/589017025.db2.gz ADTLKTRXKIWXGU-KBPBESRZSA-N 1 1 346.435 0.462 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000804729272 586062949 /nfs/dbraw/zinc/06/29/49/586062949.db2.gz HMFRCWLFQIGJIW-LLVKDONJSA-N 1 1 330.226 0.612 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896540958 586250184 /nfs/dbraw/zinc/25/01/84/586250184.db2.gz ZDPCOEFBLGBGDL-SUMWQHHRSA-N 1 1 329.448 0.988 20 30 ECEDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cnn(CCC#N)c2C)CC1 ZINC000896797854 586272200 /nfs/dbraw/zinc/27/22/00/586272200.db2.gz MKDZJCUQADLXBV-CYBMUJFWSA-N 1 1 347.419 0.815 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)c2cnn(CCC#N)c2C)C1 ZINC000898254225 586410964 /nfs/dbraw/zinc/41/09/64/586410964.db2.gz GVELSRWHYSRMKK-UHFFFAOYSA-N 1 1 349.435 0.524 20 30 ECEDMO C[N@@H+](CCO)CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000899737503 586504726 /nfs/dbraw/zinc/50/47/26/586504726.db2.gz JNUCVZYIKSSAOH-UHFFFAOYSA-N 1 1 348.422 0.954 20 30 ECEDMO CC(C)(O)[C@H](O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000900046392 586520937 /nfs/dbraw/zinc/52/09/37/586520937.db2.gz YQMDDRZRBWDHCE-MRXNPFEDSA-N 1 1 331.416 0.724 20 30 ECEDMO CC(C)(O)[C@H](O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000900046392 586520939 /nfs/dbraw/zinc/52/09/39/586520939.db2.gz YQMDDRZRBWDHCE-MRXNPFEDSA-N 1 1 331.416 0.724 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000843250786 589056463 /nfs/dbraw/zinc/05/64/63/589056463.db2.gz RCRNTKAZJNXWOW-JKSUJKDBSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000843250786 589056466 /nfs/dbraw/zinc/05/64/66/589056466.db2.gz RCRNTKAZJNXWOW-JKSUJKDBSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000843256169 589057400 /nfs/dbraw/zinc/05/74/00/589057400.db2.gz YHFHWTDWNJXPAN-OWCLPIDISA-N 1 1 335.448 0.162 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000843256169 589057402 /nfs/dbraw/zinc/05/74/02/589057402.db2.gz YHFHWTDWNJXPAN-OWCLPIDISA-N 1 1 335.448 0.162 20 30 ECEDMO C#CCCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000900473585 586636832 /nfs/dbraw/zinc/63/68/32/586636832.db2.gz GRXMWCMQQZZNTP-MRXNPFEDSA-N 1 1 335.448 0.429 20 30 ECEDMO C#CCOc1ccc(CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1 ZINC000838677792 586820382 /nfs/dbraw/zinc/82/03/82/586820382.db2.gz PYSLVUAEZUZPMW-OAHLLOKOSA-N 1 1 331.416 0.907 20 30 ECEDMO C#CCOc1ccc(CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1 ZINC000838677792 586820385 /nfs/dbraw/zinc/82/03/85/586820385.db2.gz PYSLVUAEZUZPMW-OAHLLOKOSA-N 1 1 331.416 0.907 20 30 ECEDMO N#Cc1sccc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000906713193 586970110 /nfs/dbraw/zinc/97/01/10/586970110.db2.gz SUFIHIXWMJAPAT-CYBMUJFWSA-N 1 1 334.445 0.756 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nc1 ZINC000803562454 587063396 /nfs/dbraw/zinc/06/33/96/587063396.db2.gz XLGLOFQWZAHWRX-MQVJKMGUSA-N 1 1 340.427 0.876 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)NCCn2cc[nH+]c2C)cc1C#N ZINC000804031213 587074179 /nfs/dbraw/zinc/07/41/79/587074179.db2.gz WOUYWFCJYQJNMK-UHFFFAOYSA-N 1 1 341.371 0.504 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000807384691 587126092 /nfs/dbraw/zinc/12/60/92/587126092.db2.gz QKVWWBKPILVFJB-HUUCEWRRSA-N 1 1 332.404 0.385 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000809405052 587177091 /nfs/dbraw/zinc/17/70/91/587177091.db2.gz NGMYZSOPGXFEOA-BZNIZROVSA-N 1 1 344.390 0.912 20 30 ECEDMO CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)n1ncc(C#N)c1N ZINC000810203631 587191372 /nfs/dbraw/zinc/19/13/72/587191372.db2.gz PVKQPPBNNRCDRX-LBPRGKRZSA-N 1 1 329.364 0.474 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000814145235 587270965 /nfs/dbraw/zinc/27/09/65/587270965.db2.gz MDYDAWBGPUKDIN-ZBFHGGJFSA-N 1 1 347.440 0.374 20 30 ECEDMO CCc1nocc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000814727964 587279047 /nfs/dbraw/zinc/27/90/47/587279047.db2.gz GPCNKMMUGUFHPX-UHFFFAOYSA-N 1 1 325.438 0.757 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)CC2(C#N)CC2)C1 ZINC000815412690 587289980 /nfs/dbraw/zinc/28/99/80/587289980.db2.gz NAGMJAIKJAVQGV-CQSZACIVSA-N 1 1 337.420 0.696 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC)nc1OC ZINC000815861593 587300732 /nfs/dbraw/zinc/30/07/32/587300732.db2.gz PJHBNTRJRQXJFC-UHFFFAOYSA-N 1 1 334.376 0.109 20 30 ECEDMO C#CCOCCNC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000817780411 587384076 /nfs/dbraw/zinc/38/40/76/587384076.db2.gz BCFUAYRFCFGBHL-UHFFFAOYSA-N 1 1 336.480 0.838 20 30 ECEDMO C#CCOCCNC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000817780411 587384077 /nfs/dbraw/zinc/38/40/77/587384077.db2.gz BCFUAYRFCFGBHL-UHFFFAOYSA-N 1 1 336.480 0.838 20 30 ECEDMO C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC000818294887 587421307 /nfs/dbraw/zinc/42/13/07/587421307.db2.gz ILLYSNWMJMBTSD-AWEZNQCLSA-N 1 1 348.451 0.226 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000818602750 587440457 /nfs/dbraw/zinc/44/04/57/587440457.db2.gz BUDSWQPNGXATDB-UHFFFAOYSA-N 1 1 329.322 0.938 20 30 ECEDMO CON=C(C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1)c1csc(N)n1 ZINC000822489924 587662229 /nfs/dbraw/zinc/66/22/29/587662229.db2.gz KDBDYVACEXEKSS-KOLCDFICSA-N 1 1 341.412 0.721 20 30 ECEDMO C#C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000823191664 587708418 /nfs/dbraw/zinc/70/84/18/587708418.db2.gz RPYNYJLVZJLPON-DLBZAZTESA-N 1 1 335.448 0.921 20 30 ECEDMO C=C[C@H](O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000824244546 587862944 /nfs/dbraw/zinc/86/29/44/587862944.db2.gz IRLFRHPTVBZQBX-AWEZNQCLSA-N 1 1 333.388 0.568 20 30 ECEDMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1C#N ZINC000825435707 587940389 /nfs/dbraw/zinc/94/03/89/587940389.db2.gz HVJNGRHMUYKDRB-OAHLLOKOSA-N 1 1 344.415 0.884 20 30 ECEDMO COc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1-c1nn[nH]n1 ZINC000826194934 588008309 /nfs/dbraw/zinc/00/83/09/588008309.db2.gz AVGZZIOYYVJEPU-UHFFFAOYSA-N 1 1 327.392 0.907 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000826642580 588074973 /nfs/dbraw/zinc/07/49/73/588074973.db2.gz RLGRXFKBHKMESA-CQSZACIVSA-N 1 1 335.404 0.497 20 30 ECEDMO COc1cc(C#N)ccc1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000828195291 588164524 /nfs/dbraw/zinc/16/45/24/588164524.db2.gz BFNVDOYOMFLYEQ-UHFFFAOYSA-N 1 1 330.388 0.413 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)C1 ZINC000829582456 588331136 /nfs/dbraw/zinc/33/11/36/588331136.db2.gz MSOCTDMOPFWAPB-KBPBESRZSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)C1 ZINC000829582456 588331138 /nfs/dbraw/zinc/33/11/38/588331138.db2.gz MSOCTDMOPFWAPB-KBPBESRZSA-N 1 1 339.436 0.740 20 30 ECEDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371596 589109237 /nfs/dbraw/zinc/10/92/37/589109237.db2.gz ZUDOIDAGXQTLKZ-JKSUJKDBSA-N 1 1 345.359 0.689 20 30 ECEDMO COC(=O)Cn1cc(CC[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)nn1 ZINC000844367091 589109541 /nfs/dbraw/zinc/10/95/41/589109541.db2.gz RAQSQDWCZBZDRN-INIZCTEOSA-N 1 1 343.387 0.531 20 30 ECEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000847027764 589233314 /nfs/dbraw/zinc/23/33/14/589233314.db2.gz CTOYQSHEEGISQD-HZPDHXFCSA-N 1 1 327.432 0.859 20 30 ECEDMO C#C[C@H](NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C1CCOCC1 ZINC000852183116 589448378 /nfs/dbraw/zinc/44/83/78/589448378.db2.gz FOEHQLGNYYHYKD-WBVHZDCISA-N 1 1 336.480 0.598 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000852336379 589491739 /nfs/dbraw/zinc/49/17/39/589491739.db2.gz JROKNKADUXBNRP-CWRNSKLLSA-N 1 1 339.395 0.241 20 30 ECEDMO Cc1cc(NCc2cnn(C)n2)c(C#N)c(NCc2cnn(C)n2)[nH+]1 ZINC000853621992 589552354 /nfs/dbraw/zinc/55/23/54/589552354.db2.gz OZORRCQHPGYHON-UHFFFAOYSA-N 1 1 338.379 0.743 20 30 ECEDMO C#C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C1CCOCC1 ZINC000856119909 589655089 /nfs/dbraw/zinc/65/50/89/589655089.db2.gz XHQSFIRDVYNAFU-SQNIBIBYSA-N 1 1 344.459 1.000 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@](O)(Cc3nc(CC)no3)C2)C1=O ZINC000856676802 589670262 /nfs/dbraw/zinc/67/02/62/589670262.db2.gz LCYYMJHKURJMJZ-GUYCJALGSA-N 1 1 334.420 0.788 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@](O)(Cc3nc(CC)no3)C2)C1=O ZINC000856676802 589670263 /nfs/dbraw/zinc/67/02/63/589670263.db2.gz LCYYMJHKURJMJZ-GUYCJALGSA-N 1 1 334.420 0.788 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1coc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000866383528 589738454 /nfs/dbraw/zinc/73/84/54/589738454.db2.gz OFHJOQPTKVFERD-GFCCVEGCSA-N 1 1 325.390 0.342 20 30 ECEDMO CCN1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1=O ZINC000867977844 589866257 /nfs/dbraw/zinc/86/62/57/589866257.db2.gz QQNCUVDNVUIAOD-KRWDZBQOSA-N 1 1 326.400 0.826 20 30 ECEDMO N#CCn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cn1 ZINC000862092233 589919712 /nfs/dbraw/zinc/91/97/12/589919712.db2.gz UMVAIYSPCMLBAQ-AWEZNQCLSA-N 1 1 330.392 0.478 20 30 ECEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000862121564 589922090 /nfs/dbraw/zinc/92/20/90/589922090.db2.gz XUPBELJZOXHNRJ-CHWSQXEVSA-N 1 1 346.387 0.099 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)cc1 ZINC000870096234 589999958 /nfs/dbraw/zinc/99/99/58/589999958.db2.gz MOYZDXTVTPJXIP-GOSISDBHSA-N 1 1 339.443 0.597 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000870095962 590000046 /nfs/dbraw/zinc/00/00/46/590000046.db2.gz GYQOGORBMDIIPX-QGZVFWFLSA-N 1 1 328.416 0.928 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000870095962 590000048 /nfs/dbraw/zinc/00/00/48/590000048.db2.gz GYQOGORBMDIIPX-QGZVFWFLSA-N 1 1 328.416 0.928 20 30 ECEDMO COc1ccc([C@@H]2CN(C(=O)[C@H](C)n3cnc(C#N)n3)CC[NH2+]2)cc1 ZINC000870145587 590003265 /nfs/dbraw/zinc/00/32/65/590003265.db2.gz OGPQTQNWYIJXNV-WFASDCNBSA-N 1 1 340.387 0.892 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3C[C@@H]4COC(=O)[C@@H]4C3)C2=O)cc1 ZINC000864350103 590076091 /nfs/dbraw/zinc/07/60/91/590076091.db2.gz CZADBGGSFISBNO-BNOWGMLFSA-N 1 1 325.324 0.295 20 30 ECEDMO CN(C(=O)[C@@]1(C#N)CCCOC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000865728818 590155964 /nfs/dbraw/zinc/15/59/64/590155964.db2.gz YZADOQQPOXNQPT-SJLPKXTDSA-N 1 1 334.464 0.934 20 30 ECEDMO CN(C(=O)[C@@]1(C#N)CCCOC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000865728818 590155966 /nfs/dbraw/zinc/15/59/66/590155966.db2.gz YZADOQQPOXNQPT-SJLPKXTDSA-N 1 1 334.464 0.934 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000872927234 590175137 /nfs/dbraw/zinc/17/51/37/590175137.db2.gz PZHSTHLZKHIMLE-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000875060491 590266659 /nfs/dbraw/zinc/26/66/59/590266659.db2.gz CXZQDELDJRAKFQ-XHSDSOJGSA-N 1 1 337.464 0.625 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000875306884 590291440 /nfs/dbraw/zinc/29/14/40/590291440.db2.gz GQKHKLCMUQOWIT-IKGGRYGDSA-N 1 1 343.427 0.703 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000875307018 590291445 /nfs/dbraw/zinc/29/14/45/590291445.db2.gz HONYMDOVIRGPPC-OWCLPIDISA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000875596246 590311993 /nfs/dbraw/zinc/31/19/93/590311993.db2.gz JGURZCXKGMFHMW-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000875599836 590312979 /nfs/dbraw/zinc/31/29/79/590312979.db2.gz MPILZTCADRGCGY-XHSDSOJGSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000875600224 590313001 /nfs/dbraw/zinc/31/30/01/590313001.db2.gz WUUKRJGVJBNMBN-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)CC[C@@H]21 ZINC000879580079 590324632 /nfs/dbraw/zinc/32/46/32/590324632.db2.gz RDPQWQUQJLDRAC-CABCVRRESA-N 1 1 334.445 0.753 20 30 ECEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@@H](O)C1)CCC2 ZINC000879610705 590328220 /nfs/dbraw/zinc/32/82/20/590328220.db2.gz LVGJKDWGGNXKQZ-OLZOCXBDSA-N 1 1 335.429 0.865 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3OCCNC(=O)[C@@H]32)cc1 ZINC000879718803 590337055 /nfs/dbraw/zinc/33/70/55/590337055.db2.gz ILEBLESRQRRQSS-DOTOQJQBSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3OCCNC(=O)[C@@H]32)cc1 ZINC000879718803 590337058 /nfs/dbraw/zinc/33/70/58/590337058.db2.gz ILEBLESRQRRQSS-DOTOQJQBSA-N 1 1 342.399 0.866 20 30 ECEDMO C[NH+]1CCN(CCNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876780241 590413940 /nfs/dbraw/zinc/41/39/40/590413940.db2.gz DCNPFMAWQMMPTA-QGZVFWFLSA-N 1 1 327.432 0.109 20 30 ECEDMO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000876781898 590414744 /nfs/dbraw/zinc/41/47/44/590414744.db2.gz QZTUXHMSNVXVRO-AWEZNQCLSA-N 1 1 337.855 0.920 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCCSC(C)(C)C)CC1 ZINC000878315787 590515735 /nfs/dbraw/zinc/51/57/35/590515735.db2.gz WJXUAQOLMSPUME-UHFFFAOYSA-N 1 1 333.523 0.993 20 30 ECEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000878761256 590540790 /nfs/dbraw/zinc/54/07/90/590540790.db2.gz OPIOHPARIADTJS-CQSZACIVSA-N 1 1 341.477 0.262 20 30 ECEDMO C=CCCS(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000882617520 590563997 /nfs/dbraw/zinc/56/39/97/590563997.db2.gz BDWSEKZVXWPVNQ-UHFFFAOYSA-N 1 1 329.466 0.698 20 30 ECEDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000883896605 590679412 /nfs/dbraw/zinc/67/94/12/590679412.db2.gz SJANPRZBONQHHF-UONOGXRCSA-N 1 1 343.435 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000884115638 590744168 /nfs/dbraw/zinc/74/41/68/590744168.db2.gz YRXVDJNDUAAXRT-MRXNPFEDSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000884115638 590744170 /nfs/dbraw/zinc/74/41/70/590744170.db2.gz YRXVDJNDUAAXRT-MRXNPFEDSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCn2c(=O)oc3ccccc32)C1 ZINC000884132111 590751226 /nfs/dbraw/zinc/75/12/26/590751226.db2.gz GVBLSIQKRXPRCC-CQSZACIVSA-N 1 1 342.399 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCn2c(=O)oc3ccccc32)C1 ZINC000884132111 590751230 /nfs/dbraw/zinc/75/12/30/590751230.db2.gz GVBLSIQKRXPRCC-CQSZACIVSA-N 1 1 342.399 0.991 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000884175705 590762754 /nfs/dbraw/zinc/76/27/54/590762754.db2.gz DINSBUMTYJKIPO-INIZCTEOSA-N 1 1 331.416 0.777 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884183798 590766012 /nfs/dbraw/zinc/76/60/12/590766012.db2.gz XMRMCGMZZRCPEN-MJBXVCDLSA-N 1 1 327.425 0.049 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCNC(=O)c2ccccc2F)C1 ZINC000884229372 590782447 /nfs/dbraw/zinc/78/24/47/590782447.db2.gz OZIFSSKLAKSUEK-AWEZNQCLSA-N 1 1 346.406 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCNC(=O)c2ccccc2F)C1 ZINC000884229372 590782450 /nfs/dbraw/zinc/78/24/50/590782450.db2.gz OZIFSSKLAKSUEK-AWEZNQCLSA-N 1 1 346.406 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000884240042 590787282 /nfs/dbraw/zinc/78/72/82/590787282.db2.gz IRGWDELYBUZEIG-AWEZNQCLSA-N 1 1 327.450 0.208 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000884240042 590787288 /nfs/dbraw/zinc/78/72/88/590787288.db2.gz IRGWDELYBUZEIG-AWEZNQCLSA-N 1 1 327.450 0.208 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000884321606 590804853 /nfs/dbraw/zinc/80/48/53/590804853.db2.gz SSEVWOHEWPNEHZ-INIZCTEOSA-N 1 1 335.496 0.409 20 30 ECEDMO CC[C@@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[NH+](CC)CC ZINC000886205127 590812674 /nfs/dbraw/zinc/81/26/74/590812674.db2.gz AEQLSQLOBQRYMZ-VNHYZAJKSA-N 1 1 327.450 0.504 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(OC)nc2OC)C1 ZINC000884365345 590813942 /nfs/dbraw/zinc/81/39/42/590813942.db2.gz HVGVHKWLZSRUQD-AWEZNQCLSA-N 1 1 332.404 0.996 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(OC)nc2OC)C1 ZINC000884365345 590813945 /nfs/dbraw/zinc/81/39/45/590813945.db2.gz HVGVHKWLZSRUQD-AWEZNQCLSA-N 1 1 332.404 0.996 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C1)CC2 ZINC000886208514 590814528 /nfs/dbraw/zinc/81/45/28/590814528.db2.gz LLLKGQNPBRGRLV-WOSRLPQWSA-N 1 1 348.428 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC2(CS(C)(=O)=O)CC2)C1 ZINC000884460223 590833533 /nfs/dbraw/zinc/83/35/33/590833533.db2.gz UBXRDMWKPLRESX-CQSZACIVSA-N 1 1 341.477 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC2(CS(C)(=O)=O)CC2)C1 ZINC000884460223 590833537 /nfs/dbraw/zinc/83/35/37/590833537.db2.gz UBXRDMWKPLRESX-CQSZACIVSA-N 1 1 341.477 0.598 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC000887739493 590995510 /nfs/dbraw/zinc/99/55/10/590995510.db2.gz WEPDTPAMPKFJLA-SFHVURJKSA-N 1 1 342.443 0.952 20 30 ECEDMO N#CCc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000889805221 591098225 /nfs/dbraw/zinc/09/82/25/591098225.db2.gz BBNYXWFCJXIJNW-UONOGXRCSA-N 1 1 327.388 0.829 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@]2(C)COC(=O)N2)CC1 ZINC000922629391 611356548 /nfs/dbraw/zinc/35/65/48/611356548.db2.gz KFMCJIQGBUHQEB-KRWDZBQOSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCO[C@@H]1c1n[nH]c(C)n1 ZINC000922629230 611356668 /nfs/dbraw/zinc/35/66/68/611356668.db2.gz XDNYLXBRLINIPS-KBPBESRZSA-N 1 1 334.424 0.445 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCO[C@@H]1c1nnc(C)[nH]1 ZINC000922629230 611356669 /nfs/dbraw/zinc/35/66/69/611356669.db2.gz XDNYLXBRLINIPS-KBPBESRZSA-N 1 1 334.424 0.445 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCO[C@@H]1c1nnc(C)[nH]1 ZINC000922629230 611356670 /nfs/dbraw/zinc/35/66/70/611356670.db2.gz XDNYLXBRLINIPS-KBPBESRZSA-N 1 1 334.424 0.445 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890143683 611364214 /nfs/dbraw/zinc/36/42/14/611364214.db2.gz XLCBCDHTQPFIDL-CVEARBPZSA-N 1 1 337.468 0.584 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)CC[C@@H]2C1 ZINC000946653878 611391277 /nfs/dbraw/zinc/39/12/77/611391277.db2.gz KLTLEPQMMHLIOL-GASCZTMLSA-N 1 1 333.436 0.328 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)CC[C@@H]2C1 ZINC000946651778 611390038 /nfs/dbraw/zinc/39/00/38/611390038.db2.gz FNSUMZMSRYURTN-QLFBSQMISA-N 1 1 345.447 0.903 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000930297215 611410026 /nfs/dbraw/zinc/41/00/26/611410026.db2.gz XBUUJPKBNYLTPI-HNNXBMFYSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000930297215 611410028 /nfs/dbraw/zinc/41/00/28/611410028.db2.gz XBUUJPKBNYLTPI-HNNXBMFYSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nc(C)nn4C3)CC[C@@H]2C1 ZINC000946693603 611419104 /nfs/dbraw/zinc/41/91/04/611419104.db2.gz AZMHMMARFRHPGW-IXDOHACOSA-N 1 1 341.459 0.953 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946747367 611449319 /nfs/dbraw/zinc/44/93/19/611449319.db2.gz PAWSNHSXZSWWNU-OKILXGFUSA-N 1 1 344.390 0.853 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C(N)=O)CC[C@@H]3C2)c1 ZINC000946746566 611450816 /nfs/dbraw/zinc/45/08/16/611450816.db2.gz CBIDHYHKNQXBFJ-IYBDPMFKSA-N 1 1 326.400 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@@H]([C@@H](O)c3cccnc3)C2=O)C1 ZINC000925315292 611467984 /nfs/dbraw/zinc/46/79/84/611467984.db2.gz BKXQWROKPYOLES-KKUMJFAQSA-N 1 1 328.372 0.133 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H]([C@@H](O)c3cccnc3)C2=O)C1 ZINC000925315292 611467987 /nfs/dbraw/zinc/46/79/87/611467987.db2.gz BKXQWROKPYOLES-KKUMJFAQSA-N 1 1 328.372 0.133 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@H]([C@H](O)c3cccnc3)C2=O)C1 ZINC000925315293 611468045 /nfs/dbraw/zinc/46/80/45/611468045.db2.gz BKXQWROKPYOLES-RRFJBIMHSA-N 1 1 328.372 0.133 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@H]([C@H](O)c3cccnc3)C2=O)C1 ZINC000925315293 611468048 /nfs/dbraw/zinc/46/80/48/611468048.db2.gz BKXQWROKPYOLES-RRFJBIMHSA-N 1 1 328.372 0.133 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@H]([C@H](O)c3ccncc3)C2=O)C1 ZINC000925316224 611468466 /nfs/dbraw/zinc/46/84/66/611468466.db2.gz IYITXVPFGATFOE-RRFJBIMHSA-N 1 1 328.372 0.133 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@H]([C@H](O)c3ccncc3)C2=O)C1 ZINC000925316224 611468468 /nfs/dbraw/zinc/46/84/68/611468468.db2.gz IYITXVPFGATFOE-RRFJBIMHSA-N 1 1 328.372 0.133 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930820984 611468836 /nfs/dbraw/zinc/46/88/36/611468836.db2.gz JGPLMGUMDOEIEI-CHWSQXEVSA-N 1 1 338.477 0.738 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000930820984 611468839 /nfs/dbraw/zinc/46/88/39/611468839.db2.gz JGPLMGUMDOEIEI-CHWSQXEVSA-N 1 1 338.477 0.738 20 30 ECEDMO C=C(Cl)C[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H]2C(N)=O)C1=O ZINC000925394486 611477447 /nfs/dbraw/zinc/47/74/47/611477447.db2.gz YCZXMKNTFPTSTC-QWRGUYRKSA-N 1 1 328.800 0.389 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000946797102 611487146 /nfs/dbraw/zinc/48/71/46/611487146.db2.gz XTASWZNMUGMJQJ-HNNXBMFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947370433 611502207 /nfs/dbraw/zinc/50/22/07/611502207.db2.gz TYJNXWQWZOTMSZ-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000931146028 611511000 /nfs/dbraw/zinc/51/10/00/611511000.db2.gz JANQJGPVWHZGEI-UHFFFAOYSA-N 1 1 345.418 0.934 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C[C@@H]1C ZINC000947479463 611553712 /nfs/dbraw/zinc/55/37/12/611553712.db2.gz NAIHWBRXGQMTJI-KBPBESRZSA-N 1 1 342.403 0.926 20 30 ECEDMO COC1(OC)CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1O ZINC000931637510 611559140 /nfs/dbraw/zinc/55/91/40/611559140.db2.gz WDCTWVVZNYWNQF-HZPDHXFCSA-N 1 1 345.399 0.719 20 30 ECEDMO COC1(OC)CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1O ZINC000931637510 611559142 /nfs/dbraw/zinc/55/91/42/611559142.db2.gz WDCTWVVZNYWNQF-HZPDHXFCSA-N 1 1 345.399 0.719 20 30 ECEDMO COC1(OC)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000931642383 611560575 /nfs/dbraw/zinc/56/05/75/611560575.db2.gz RMIVNYOFINJAAF-UONOGXRCSA-N 1 1 339.436 0.773 20 30 ECEDMO COC1(OC)CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000931642383 611560577 /nfs/dbraw/zinc/56/05/77/611560577.db2.gz RMIVNYOFINJAAF-UONOGXRCSA-N 1 1 339.436 0.773 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000947615309 611620237 /nfs/dbraw/zinc/62/02/37/611620237.db2.gz HPDAONRXSNZEFT-SWLSCSKDSA-N 1 1 339.403 0.865 20 30 ECEDMO CN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937349325 608608437 /nfs/dbraw/zinc/60/84/37/608608437.db2.gz DCUSPBRLTCESAS-APWZRJJASA-N 1 1 329.444 0.945 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3nnc(C)[nH]3)CC2)C1 ZINC000949362895 608653956 /nfs/dbraw/zinc/65/39/56/608653956.db2.gz YYYOKVKPSKPXMH-UHFFFAOYSA-N 1 1 331.420 0.372 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)Cc3nnc(C)[nH]3)CC2)C1 ZINC000949362895 608653957 /nfs/dbraw/zinc/65/39/57/608653957.db2.gz YYYOKVKPSKPXMH-UHFFFAOYSA-N 1 1 331.420 0.372 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cn3nccc3C)CC2)C1 ZINC000949486647 608705435 /nfs/dbraw/zinc/70/54/35/608705435.db2.gz DCWSKEFCPBKPPD-UHFFFAOYSA-N 1 1 330.432 0.908 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000936915477 608732435 /nfs/dbraw/zinc/73/24/35/608732435.db2.gz ZNJRPWNZQAFJHA-LSDHHAIUSA-N 1 1 329.404 0.653 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@H](C)C2)C1 ZINC000947701335 611659308 /nfs/dbraw/zinc/65/93/08/611659308.db2.gz AJBUMQOFUSUCGO-KGLIPLIRSA-N 1 1 348.447 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccn(C)n2)CC1 ZINC000947230890 608826219 /nfs/dbraw/zinc/82/62/19/608826219.db2.gz WWPLNVCENWYNOC-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccn(C)n2)CC1 ZINC000947230890 608826221 /nfs/dbraw/zinc/82/62/21/608826221.db2.gz WWPLNVCENWYNOC-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000936626491 608898217 /nfs/dbraw/zinc/89/82/17/608898217.db2.gz BAZSKBMCDOJWOU-CVEARBPZSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000936626491 608898219 /nfs/dbraw/zinc/89/82/19/608898219.db2.gz BAZSKBMCDOJWOU-CVEARBPZSA-N 1 1 343.431 0.040 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000947307147 608937096 /nfs/dbraw/zinc/93/70/96/608937096.db2.gz WIAWHFIYZIEEHH-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO N#CCCN1CCN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000925169223 608942186 /nfs/dbraw/zinc/94/21/86/608942186.db2.gz KAUGVRLDGAMHLQ-GJZGRUSLSA-N 1 1 337.493 0.807 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccccc1C#N ZINC000947309576 608947339 /nfs/dbraw/zinc/94/73/39/608947339.db2.gz FVKGEDLVFLWAER-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO CN1CC[N@@H+](CCCNC(=O)NCC#CCO)[C@@H](c2ccccc2)C1 ZINC000923786015 608948347 /nfs/dbraw/zinc/94/83/47/608948347.db2.gz PAJHQSAPBXXNLG-GOSISDBHSA-N 1 1 344.459 0.660 20 30 ECEDMO C[N@@H+]1CCN(CCCNC(=O)NCC#CCO)[C@@H](c2ccccc2)C1 ZINC000923786015 608948350 /nfs/dbraw/zinc/94/83/50/608948350.db2.gz PAJHQSAPBXXNLG-GOSISDBHSA-N 1 1 344.459 0.660 20 30 ECEDMO C[N@H+]1CCN(CCCNC(=O)NCC#CCO)[C@@H](c2ccccc2)C1 ZINC000923786015 608948353 /nfs/dbraw/zinc/94/83/53/608948353.db2.gz PAJHQSAPBXXNLG-GOSISDBHSA-N 1 1 344.459 0.660 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000932811975 611672503 /nfs/dbraw/zinc/67/25/03/611672503.db2.gz PKGIIUHOEQJMQL-UHFFFAOYSA-N 1 1 341.209 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cccn2C)C1 ZINC000937689129 609009005 /nfs/dbraw/zinc/00/90/05/609009005.db2.gz GIPGURFXMDWSTA-HOCLYGCPSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cccn2C)C1 ZINC000937689129 609009008 /nfs/dbraw/zinc/00/90/08/609009008.db2.gz GIPGURFXMDWSTA-HOCLYGCPSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000937224709 609062192 /nfs/dbraw/zinc/06/21/92/609062192.db2.gz PXCGXCPDBYJONS-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000937224709 609062196 /nfs/dbraw/zinc/06/21/96/609062196.db2.gz PXCGXCPDBYJONS-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000932965673 611695388 /nfs/dbraw/zinc/69/53/88/611695388.db2.gz QEOGOJOAYVJPHH-DOTOQJQBSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccnc2C)C1 ZINC000938171251 609483996 /nfs/dbraw/zinc/48/39/96/609483996.db2.gz ZMMOASJTGFOWAQ-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccnc2C)C1 ZINC000938171251 609483997 /nfs/dbraw/zinc/48/39/97/609483997.db2.gz ZMMOASJTGFOWAQ-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000908011638 609636653 /nfs/dbraw/zinc/63/66/53/609636653.db2.gz KDAXGLQUZXUILU-IAGOWNOFSA-N 1 1 334.441 0.888 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000908011638 609636655 /nfs/dbraw/zinc/63/66/55/609636655.db2.gz KDAXGLQUZXUILU-IAGOWNOFSA-N 1 1 334.441 0.888 20 30 ECEDMO C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000908654483 609657495 /nfs/dbraw/zinc/65/74/95/609657495.db2.gz KGENKPRLGYWSNK-KEYYUXOJSA-N 1 1 333.436 0.940 20 30 ECEDMO C=CCn1c(C2CCOCC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000908672822 609657837 /nfs/dbraw/zinc/65/78/37/609657837.db2.gz VPBVPEGYMTVJDM-HNNXBMFYSA-N 1 1 333.436 0.879 20 30 ECEDMO C=CCn1c(C2CCOCC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000908672822 609657838 /nfs/dbraw/zinc/65/78/38/609657838.db2.gz VPBVPEGYMTVJDM-HNNXBMFYSA-N 1 1 333.436 0.879 20 30 ECEDMO C[C@H](NS(=O)(=O)Cc1csc(C#N)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000919975340 609666916 /nfs/dbraw/zinc/66/69/16/609666916.db2.gz VXZYCILHHBHJJG-FZMZJTMJSA-N 1 1 342.490 0.673 20 30 ECEDMO C[C@H](NS(=O)(=O)Cc1csc(C#N)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919975340 609666918 /nfs/dbraw/zinc/66/69/18/609666918.db2.gz VXZYCILHHBHJJG-FZMZJTMJSA-N 1 1 342.490 0.673 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccccc1CC#N)[C@H]1C[N@H+](C)CCN1C ZINC000919988679 609669259 /nfs/dbraw/zinc/66/92/59/609669259.db2.gz HIHYWUFRJAHYIB-DZGCQCFKSA-N 1 1 336.461 0.665 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccccc1CC#N)[C@H]1C[N@@H+](C)CCN1C ZINC000919988679 609669261 /nfs/dbraw/zinc/66/92/61/609669261.db2.gz HIHYWUFRJAHYIB-DZGCQCFKSA-N 1 1 336.461 0.665 20 30 ECEDMO C[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000920001569 609670500 /nfs/dbraw/zinc/67/05/00/609670500.db2.gz UZIXEWWNZXQAMY-KGLIPLIRSA-N 1 1 328.482 0.624 20 30 ECEDMO C[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920001569 609670502 /nfs/dbraw/zinc/67/05/02/609670502.db2.gz UZIXEWWNZXQAMY-KGLIPLIRSA-N 1 1 328.482 0.624 20 30 ECEDMO C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000920017268 609670669 /nfs/dbraw/zinc/67/06/69/609670669.db2.gz APAIVAUVYQXGTL-CJNGLKHVSA-N 1 1 336.461 0.612 20 30 ECEDMO C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920017268 609670671 /nfs/dbraw/zinc/67/06/71/609670671.db2.gz APAIVAUVYQXGTL-CJNGLKHVSA-N 1 1 336.461 0.612 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C ZINC000947999175 609753009 /nfs/dbraw/zinc/75/30/09/609753009.db2.gz VWVOBYQXWBRSPR-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C[C@@H]1C ZINC000948036208 609778693 /nfs/dbraw/zinc/77/86/93/609778693.db2.gz PEBMCKIEKYRFMT-KBPBESRZSA-N 1 1 326.404 0.659 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000938492586 609816407 /nfs/dbraw/zinc/81/64/07/609816407.db2.gz JEGHZXUCLQYRJK-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000938541702 609849431 /nfs/dbraw/zinc/84/94/31/609849431.db2.gz KNZUOJWEGQCSGO-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000938541702 609849433 /nfs/dbraw/zinc/84/94/33/609849433.db2.gz KNZUOJWEGQCSGO-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)CC(C)(C)C#N)CC1 ZINC000914427655 609887222 /nfs/dbraw/zinc/88/72/22/609887222.db2.gz SLOMTZOOVVJWHR-UHFFFAOYSA-N 1 1 325.438 0.858 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 ZINC000912297025 609945038 /nfs/dbraw/zinc/94/50/38/609945038.db2.gz WUXQBWBJVISPNA-ZTFGCOKTSA-N 1 1 328.416 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC000938756269 609982125 /nfs/dbraw/zinc/98/21/25/609982125.db2.gz LQELFPAEULPRSH-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC000938756269 609982129 /nfs/dbraw/zinc/98/21/29/609982129.db2.gz LQELFPAEULPRSH-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cn(C)cn2)C1 ZINC000938756723 609982540 /nfs/dbraw/zinc/98/25/40/609982540.db2.gz WKMCBFHIMBJWPP-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cn(C)cn2)C1 ZINC000938756723 609982542 /nfs/dbraw/zinc/98/25/42/609982542.db2.gz WKMCBFHIMBJWPP-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cnsn2)C1 ZINC000938756786 609982847 /nfs/dbraw/zinc/98/28/47/609982847.db2.gz YDLQVKUNBKZZSX-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cnsn2)C1 ZINC000938756786 609982850 /nfs/dbraw/zinc/98/28/50/609982850.db2.gz YDLQVKUNBKZZSX-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cccn3)C2)CC1 ZINC000939810797 610136978 /nfs/dbraw/zinc/13/69/78/610136978.db2.gz PITRMHYQCZCNOL-SJLPKXTDSA-N 1 1 343.475 0.665 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCc3nccn3C)C2)CC1 ZINC000939811791 610137161 /nfs/dbraw/zinc/13/71/61/610137161.db2.gz UOZQFTSGAXABLH-NVXWUHKLSA-N 1 1 343.475 0.702 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000939930661 610170213 /nfs/dbraw/zinc/17/02/13/610170213.db2.gz VVVOWBMEPIZMJI-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2coc(CC)n2)C1 ZINC000940106925 610210090 /nfs/dbraw/zinc/21/00/90/610210090.db2.gz CMCGERBRTNICCZ-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2coc(CC)n2)C1 ZINC000940106925 610210091 /nfs/dbraw/zinc/21/00/91/610210091.db2.gz CMCGERBRTNICCZ-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000940100585 610213285 /nfs/dbraw/zinc/21/32/85/610213285.db2.gz IBUGYWBFQSKDLS-CQSZACIVSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000939544391 610233074 /nfs/dbraw/zinc/23/30/74/610233074.db2.gz LJPRLYWTNGTEFY-GJZGRUSLSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000939544391 610233075 /nfs/dbraw/zinc/23/30/75/610233075.db2.gz LJPRLYWTNGTEFY-GJZGRUSLSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(C4CC4)nn3C)CC2)C1 ZINC000941427392 610301322 /nfs/dbraw/zinc/30/13/22/610301322.db2.gz ZIGSSJMRYVXRDT-UHFFFAOYSA-N 1 1 329.448 0.926 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000941427936 610301576 /nfs/dbraw/zinc/30/15/76/610301576.db2.gz KVFVHSZXNQMJMI-OAHLLOKOSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000941414072 610303333 /nfs/dbraw/zinc/30/33/33/610303333.db2.gz LRRXFLUOHSBTOM-ZWKOTPCHSA-N 1 1 332.492 0.568 20 30 ECEDMO C=CCCN1CC(N2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941414348 610303408 /nfs/dbraw/zinc/30/34/08/610303408.db2.gz REZBUFLKFVGTFM-SJLPKXTDSA-N 1 1 348.491 0.254 20 30 ECEDMO C=CCCN1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941414348 610303409 /nfs/dbraw/zinc/30/34/09/610303409.db2.gz REZBUFLKFVGTFM-SJLPKXTDSA-N 1 1 348.491 0.254 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)CC)CC2)C1 ZINC000941421881 610307205 /nfs/dbraw/zinc/30/72/05/610307205.db2.gz CNMCSHPGVFKZBM-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)CC2)C1 ZINC000941422298 610307729 /nfs/dbraw/zinc/30/77/29/610307729.db2.gz KZLLTTRJDNDWTH-INIZCTEOSA-N 1 1 343.475 0.679 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4ncncc4C3)CC2)C1 ZINC000941432539 610312935 /nfs/dbraw/zinc/31/29/35/610312935.db2.gz DBZGRFIUDWPTFF-OAHLLOKOSA-N 1 1 341.459 0.596 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cncn2C)CC1 ZINC000941465075 610333935 /nfs/dbraw/zinc/33/39/35/610333935.db2.gz GIMSSJZBHAEHDN-HNNXBMFYSA-N 1 1 343.431 0.192 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cncn2C)CC1 ZINC000941465075 610333937 /nfs/dbraw/zinc/33/39/37/610333937.db2.gz GIMSSJZBHAEHDN-HNNXBMFYSA-N 1 1 343.431 0.192 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC000941480203 610335189 /nfs/dbraw/zinc/33/51/89/610335189.db2.gz HTLPPCWOHHTNCU-KRWDZBQOSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c(C)cc(=O)oc3C)CC2)C1 ZINC000941480397 610335301 /nfs/dbraw/zinc/33/53/01/610335301.db2.gz LMIDYXCVSGJIEE-UHFFFAOYSA-N 1 1 331.416 0.885 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N[C@H](CC)C3)CC2)C1 ZINC000941499326 610344147 /nfs/dbraw/zinc/34/41/47/610344147.db2.gz SIKKAKSRMIZMEY-LSDHHAIUSA-N 1 1 334.464 0.306 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC000941502230 610345621 /nfs/dbraw/zinc/34/56/21/610345621.db2.gz MYDONQUBJPSDCK-OAHLLOKOSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)C1 ZINC000941509439 610349725 /nfs/dbraw/zinc/34/97/25/610349725.db2.gz KKVPIXXAISLVMX-UHFFFAOYSA-N 1 1 331.420 0.427 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc4n3CCCC4)CC2)C1 ZINC000941531885 610363483 /nfs/dbraw/zinc/36/34/83/610363483.db2.gz ISEREICDIBNYMN-UHFFFAOYSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3cncnc3)CC2)C1 ZINC000941534249 610365600 /nfs/dbraw/zinc/36/56/00/610365600.db2.gz QOTMMUWOWRIHIE-HNNXBMFYSA-N 1 1 327.432 0.432 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(C)(C)C1 ZINC000940790224 610365634 /nfs/dbraw/zinc/36/56/34/610365634.db2.gz YFSURLLRZXTUKH-AWEZNQCLSA-N 1 1 348.447 0.340 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C(C)(C)C1 ZINC000940781834 610368931 /nfs/dbraw/zinc/36/89/31/610368931.db2.gz DDLAFGRJSIBQQE-KGLIPLIRSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Oc3cccnc3)CC2)C1 ZINC000941559518 610382088 /nfs/dbraw/zinc/38/20/88/610382088.db2.gz DWOSWVIQBNJUSQ-MRXNPFEDSA-N 1 1 342.443 0.701 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(CC#N)C2)CC1 ZINC000941596248 610390538 /nfs/dbraw/zinc/39/05/38/610390538.db2.gz YHJRZBQFBJDWOS-QGZVFWFLSA-N 1 1 333.480 0.601 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)C1 ZINC000941580079 610392314 /nfs/dbraw/zinc/39/23/14/610392314.db2.gz OOBHPLLZZSOEHZ-UHFFFAOYSA-N 1 1 327.432 0.752 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C(C)(C)C1 ZINC000940842207 610395992 /nfs/dbraw/zinc/39/59/92/610395992.db2.gz ABBQNNQJTXYHFF-MRXNPFEDSA-N 1 1 342.443 0.963 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940847373 610398336 /nfs/dbraw/zinc/39/83/36/610398336.db2.gz WKTJIMBLXXMGOY-QWHCGFSZSA-N 1 1 331.420 0.396 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)CC2)C1 ZINC000941607126 610405106 /nfs/dbraw/zinc/40/51/06/610405106.db2.gz IEZBPEOBXYTRLE-AWEZNQCLSA-N 1 1 343.475 0.982 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@@H]3CC)CC2)C1 ZINC000941632885 610418873 /nfs/dbraw/zinc/41/88/73/610418873.db2.gz VNLXDGITLWKGMH-HNNXBMFYSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC000941633012 610419255 /nfs/dbraw/zinc/41/92/55/610419255.db2.gz ZKECYNKDZFGDTG-OAHLLOKOSA-N 1 1 341.459 0.366 20 30 ECEDMO CC1(C)CN(CC#N)CC[C@@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000940907155 610428570 /nfs/dbraw/zinc/42/85/70/610428570.db2.gz ASKBOJAWCYLQTF-DGSCNEQVSA-N 1 1 332.448 0.590 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cn3c(C)csc3=O)CC2)C1 ZINC000941661935 610430750 /nfs/dbraw/zinc/43/07/50/610430750.db2.gz MQWSQMIYXDGIHL-UHFFFAOYSA-N 1 1 348.472 0.070 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](C)C1 ZINC000942391919 610433157 /nfs/dbraw/zinc/43/31/57/610433157.db2.gz HKUPGMMRNNKGIX-CABCVRRESA-N 1 1 348.447 0.906 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](C)C1 ZINC000942393835 610433754 /nfs/dbraw/zinc/43/37/54/610433754.db2.gz PGUOMQXIHDNKNU-KBPBESRZSA-N 1 1 334.420 0.516 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cn3c(C)csc3=O)CC2)C1 ZINC000941661801 610435164 /nfs/dbraw/zinc/43/51/64/610435164.db2.gz IXUOFOVAHDOBFD-UHFFFAOYSA-N 1 1 336.461 0.233 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000942434375 610459942 /nfs/dbraw/zinc/45/99/42/610459942.db2.gz HURJDMGPAYOSCK-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941789622 610496082 /nfs/dbraw/zinc/49/60/82/610496082.db2.gz MLFRMWXPGUMYPP-RISCZKNCSA-N 1 1 345.432 0.633 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H](C)C1 ZINC000942528091 610500197 /nfs/dbraw/zinc/50/01/97/610500197.db2.gz XRBSFCMSTGADJK-YPMHNXCESA-N 1 1 329.404 0.957 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941791459 610510450 /nfs/dbraw/zinc/51/04/50/610510450.db2.gz UBQLBNZYPIOQHK-CZUORRHYSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C(C)(C)C1 ZINC000941163530 610570942 /nfs/dbraw/zinc/57/09/42/610570942.db2.gz MGCUXHNTEWUSGR-ZDUSSCGKSA-N 1 1 327.388 0.898 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000941192112 610586770 /nfs/dbraw/zinc/58/67/70/610586770.db2.gz XZEVSHXZHLGBDI-AWEZNQCLSA-N 1 1 335.452 0.683 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964212 610586872 /nfs/dbraw/zinc/58/68/72/610586872.db2.gz PKZHXFDTXIZBHW-IUODEOHRSA-N 1 1 344.419 0.352 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000941964930 610587378 /nfs/dbraw/zinc/58/73/78/610587378.db2.gz MGKLPVKPNPSCKY-IAGOWNOFSA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000941964930 610587379 /nfs/dbraw/zinc/58/73/79/610587379.db2.gz MGKLPVKPNPSCKY-IAGOWNOFSA-N 1 1 341.411 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nocc2C)C1 ZINC000941241995 610614714 /nfs/dbraw/zinc/61/47/14/610614714.db2.gz QVADRRXCOQAFQO-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nocc2C)C1 ZINC000941241995 610614718 /nfs/dbraw/zinc/61/47/18/610614718.db2.gz QVADRRXCOQAFQO-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC2=CCOCC2)C1 ZINC000941242216 610615347 /nfs/dbraw/zinc/61/53/47/610615347.db2.gz ZPANYTUPLKKLBJ-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC2=CCOCC2)C1 ZINC000941242216 610615348 /nfs/dbraw/zinc/61/53/48/610615348.db2.gz ZPANYTUPLKKLBJ-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000941244903 610616248 /nfs/dbraw/zinc/61/62/48/610616248.db2.gz DYMRUNFUQQUFNT-PMPSAXMXSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000941244903 610616249 /nfs/dbraw/zinc/61/62/49/610616249.db2.gz DYMRUNFUQQUFNT-PMPSAXMXSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2csc(=O)[nH]2)C1 ZINC000941245767 610616517 /nfs/dbraw/zinc/61/65/17/610616517.db2.gz UHEDGSPXZCTSST-YPMHNXCESA-N 1 1 348.428 0.277 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2csc(=O)[nH]2)C1 ZINC000941245767 610616518 /nfs/dbraw/zinc/61/65/18/610616518.db2.gz UHEDGSPXZCTSST-YPMHNXCESA-N 1 1 348.428 0.277 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cc(C)n[nH]2)C1 ZINC000941237708 610621535 /nfs/dbraw/zinc/62/15/35/610621535.db2.gz HFLDVPUIROHBQF-ZBFHGGJFSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cc(C)n[nH]2)C1 ZINC000941237708 610621537 /nfs/dbraw/zinc/62/15/37/610621537.db2.gz HFLDVPUIROHBQF-ZBFHGGJFSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000941237702 610621544 /nfs/dbraw/zinc/62/15/44/610621544.db2.gz GTLKRAAOXXONHZ-HIFRSBDPSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000941237702 610621547 /nfs/dbraw/zinc/62/15/47/610621547.db2.gz GTLKRAAOXXONHZ-HIFRSBDPSA-N 1 1 342.399 0.216 20 30 ECEDMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000942796317 610624874 /nfs/dbraw/zinc/62/48/74/610624874.db2.gz AQXCYIWMTIITHO-GJZGRUSLSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C ZINC000947900150 610681612 /nfs/dbraw/zinc/68/16/12/610681612.db2.gz PINPUODWKIKUHU-CABCVRRESA-N 1 1 347.463 0.926 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000942196194 610691860 /nfs/dbraw/zinc/69/18/60/610691860.db2.gz OPQCZTBZXGNBDD-DGCLKSJQSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2sccc2-n2cnnn2)[C@H](C)C1 ZINC000942207092 610696663 /nfs/dbraw/zinc/69/66/63/610696663.db2.gz JJPGTDYDSYNFKI-NEPJUHHUSA-N 1 1 330.417 0.797 20 30 ECEDMO O=C(C#CC1CC1)N1CCN(C2C[NH+](CCOC3CCC3)C2)CC1 ZINC000941407146 610722018 /nfs/dbraw/zinc/72/20/18/610722018.db2.gz LXXKZYNLNQJJKG-UHFFFAOYSA-N 1 1 331.460 0.797 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CCc3cc(OC)no3)CC2)C1 ZINC000941424375 610724410 /nfs/dbraw/zinc/72/44/10/610724410.db2.gz MAVLDSALGDAXOU-UHFFFAOYSA-N 1 1 334.420 0.630 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c4c(nn3C)CCCC4)CC2)C1 ZINC000941424063 610724511 /nfs/dbraw/zinc/72/45/11/610724511.db2.gz JODSNHKUVNNBKM-UHFFFAOYSA-N 1 1 343.475 0.927 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@@H](C)C1 ZINC000944136097 610752615 /nfs/dbraw/zinc/75/26/15/610752615.db2.gz RRKWOUYFCNUPTH-QWRGUYRKSA-N 1 1 334.376 0.360 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H](C)C1 ZINC000943229858 610756130 /nfs/dbraw/zinc/75/61/30/610756130.db2.gz FDTCADCFVAJDEY-ZIAGYGMSSA-N 1 1 344.419 0.294 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)nc1 ZINC000944170147 610763639 /nfs/dbraw/zinc/76/36/39/610763639.db2.gz NOVYJRDNTBKEDF-HZPDHXFCSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000944788564 610786723 /nfs/dbraw/zinc/78/67/23/610786723.db2.gz GHNXASSQLPPAJH-ONGXEEELSA-N 1 1 328.800 0.117 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 ZINC000944788564 610786725 /nfs/dbraw/zinc/78/67/25/610786725.db2.gz GHNXASSQLPPAJH-ONGXEEELSA-N 1 1 328.800 0.117 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2C)cn1 ZINC000944214384 610786875 /nfs/dbraw/zinc/78/68/75/610786875.db2.gz KMXDTYVTMMDTIZ-XJKSGUPXSA-N 1 1 328.416 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000943334560 610806852 /nfs/dbraw/zinc/80/68/52/610806852.db2.gz AWEQFVBOOTZFPD-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000943334560 610806854 /nfs/dbraw/zinc/80/68/54/610806854.db2.gz AWEQFVBOOTZFPD-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2cocn2)C1 ZINC000943338439 610808260 /nfs/dbraw/zinc/80/82/60/610808260.db2.gz XLVLHZMJTKWKLS-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2cocn2)C1 ZINC000943338439 610808261 /nfs/dbraw/zinc/80/82/61/610808261.db2.gz XLVLHZMJTKWKLS-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCN(C(=O)COC)C2)CC1 ZINC000944395129 610849773 /nfs/dbraw/zinc/84/97/73/610849773.db2.gz RSIVXQFGYRSXCK-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCN(C(=O)COC)C2)CC1 ZINC000944395129 610849775 /nfs/dbraw/zinc/84/97/75/610849775.db2.gz RSIVXQFGYRSXCK-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000944415627 610858128 /nfs/dbraw/zinc/85/81/28/610858128.db2.gz BIKTWYGCZWGAJK-HUUCEWRRSA-N 1 1 332.448 0.939 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cncn3C)C[C@H]2C)nn1 ZINC000943482899 610869206 /nfs/dbraw/zinc/86/92/06/610869206.db2.gz REWQDAYGXOBJAK-HIFRSBDPSA-N 1 1 343.435 0.838 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](C)C1 ZINC000943516323 610881736 /nfs/dbraw/zinc/88/17/36/610881736.db2.gz LLVJKUWXQJLBMA-CABCVRRESA-N 1 1 348.451 0.582 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](C)C1 ZINC000943517063 610882171 /nfs/dbraw/zinc/88/21/71/610882171.db2.gz NXGBQGHQWWFEEX-KGLIPLIRSA-N 1 1 334.424 0.191 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)C[C@@H]2C)nn1 ZINC000943500511 610885322 /nfs/dbraw/zinc/88/53/22/610885322.db2.gz YGYMFGMGIHYNFO-GJZGRUSLSA-N 1 1 343.435 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000944478936 610910438 /nfs/dbraw/zinc/91/04/38/610910438.db2.gz KENACLGCTCGTGA-ZBFHGGJFSA-N 1 1 344.415 0.070 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000944478936 610910441 /nfs/dbraw/zinc/91/04/41/610910441.db2.gz KENACLGCTCGTGA-ZBFHGGJFSA-N 1 1 344.415 0.070 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)[C@H](OC)C1 ZINC000945151880 610921442 /nfs/dbraw/zinc/92/14/42/610921442.db2.gz FLTUECWGNQPEQO-ARKGTOAJSA-N 1 1 333.432 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)[C@H](OC)C1 ZINC000945151880 610921443 /nfs/dbraw/zinc/92/14/43/610921443.db2.gz FLTUECWGNQPEQO-ARKGTOAJSA-N 1 1 333.432 0.082 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2cocn2)CC1 ZINC000943653974 610931136 /nfs/dbraw/zinc/93/11/36/610931136.db2.gz TWWXEJQOLFNHEM-DZKIICNBSA-N 1 1 344.415 0.929 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2cocn2)CC1 ZINC000943653974 610931139 /nfs/dbraw/zinc/93/11/39/610931139.db2.gz TWWXEJQOLFNHEM-DZKIICNBSA-N 1 1 344.415 0.929 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 ZINC000944535800 610954262 /nfs/dbraw/zinc/95/42/62/610954262.db2.gz ZONDKCZJZXWIQG-DZGCQCFKSA-N 1 1 335.452 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cncs1 ZINC000943890935 611018948 /nfs/dbraw/zinc/01/89/48/611018948.db2.gz FCAXEVHJTWREEF-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cncs1 ZINC000943890935 611018949 /nfs/dbraw/zinc/01/89/49/611018949.db2.gz FCAXEVHJTWREEF-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000943914275 611038024 /nfs/dbraw/zinc/03/80/24/611038024.db2.gz FWYJOUSSGOVYNK-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000944027355 611088993 /nfs/dbraw/zinc/08/89/93/611088993.db2.gz HLQJZTVGCJAQOW-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@H](C)C1 ZINC000944044890 611094029 /nfs/dbraw/zinc/09/40/29/611094029.db2.gz BBZRKNGSQOUZGM-HIFRSBDPSA-N 1 1 331.420 0.703 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1C ZINC000944062955 611109683 /nfs/dbraw/zinc/10/96/83/611109683.db2.gz SOZMKGMWFWINQN-CHWSQXEVSA-N 1 1 332.404 0.572 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1C ZINC000944062955 611109684 /nfs/dbraw/zinc/10/96/84/611109684.db2.gz SOZMKGMWFWINQN-CHWSQXEVSA-N 1 1 332.404 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccon1 ZINC000944097860 611130893 /nfs/dbraw/zinc/13/08/93/611130893.db2.gz NTTXDPMRKJWDIM-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccon1 ZINC000944097860 611130895 /nfs/dbraw/zinc/13/08/95/611130895.db2.gz NTTXDPMRKJWDIM-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2c(OC)ncnc2OC)[C@H](C)C1 ZINC000945942031 611162608 /nfs/dbraw/zinc/16/26/08/611162608.db2.gz HICWXHCDDOBFJE-OLZOCXBDSA-N 1 1 332.404 0.957 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(C)CCCS3(=O)=O)CC[C@@H]2C1 ZINC000946818882 611171879 /nfs/dbraw/zinc/17/18/79/611171879.db2.gz QJOUZIBUZGTBPV-UXLLHSPISA-N 1 1 338.473 0.757 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C2CC2)C2CCCC2)c1=O ZINC000075666823 611223054 /nfs/dbraw/zinc/22/30/54/611223054.db2.gz XPBWENCTCBNMGK-UHFFFAOYSA-N 1 1 346.431 0.908 20 30 ECEDMO C#CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000923321194 611229177 /nfs/dbraw/zinc/22/91/77/611229177.db2.gz DDFDPSYSTXYKQD-QGZVFWFLSA-N 1 1 334.464 0.637 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)CC[C@@H]2C1 ZINC000946890265 611230922 /nfs/dbraw/zinc/23/09/22/611230922.db2.gz MGGLYIPBZHBREZ-OKILXGFUSA-N 1 1 330.388 0.725 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC[C@@H]2C1 ZINC000946896522 611236929 /nfs/dbraw/zinc/23/69/29/611236929.db2.gz LTKGWDDINARMGL-HZSPNIEDSA-N 1 1 327.450 0.035 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)CC[C@@H]2C1 ZINC000946911459 611253449 /nfs/dbraw/zinc/25/34/49/611253449.db2.gz VCEYNIZPJXWCIU-IYBDPMFKSA-N 1 1 340.427 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC[C@@H]3O)C1 ZINC000923554278 611259975 /nfs/dbraw/zinc/25/99/75/611259975.db2.gz MCWLWWOAHJQZQE-WBMJQRKESA-N 1 1 329.400 0.984 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC[C@@H]3O)C1 ZINC000923554278 611259977 /nfs/dbraw/zinc/25/99/77/611259977.db2.gz MCWLWWOAHJQZQE-WBMJQRKESA-N 1 1 329.400 0.984 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)C1 ZINC000923549613 611260309 /nfs/dbraw/zinc/26/03/09/611260309.db2.gz NMEKKWLTSLQHOS-STMXVASLSA-N 1 1 336.413 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000923565516 611264167 /nfs/dbraw/zinc/26/41/67/611264167.db2.gz HVSUHENQSXBICE-HNNXBMFYSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000923565516 611264168 /nfs/dbraw/zinc/26/41/68/611264168.db2.gz HVSUHENQSXBICE-HNNXBMFYSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000923578248 611267068 /nfs/dbraw/zinc/26/70/68/611267068.db2.gz AQOOKVGTPMXUOI-AWEZNQCLSA-N 1 1 335.429 0.090 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000923578248 611267069 /nfs/dbraw/zinc/26/70/69/611267069.db2.gz AQOOKVGTPMXUOI-AWEZNQCLSA-N 1 1 335.429 0.090 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](NC(N)=O)c2ccccc2)C1 ZINC000923588766 611270470 /nfs/dbraw/zinc/27/04/70/611270470.db2.gz JNOCLGWJFLCBRG-CVEARBPZSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](NC(N)=O)c2ccccc2)C1 ZINC000923588766 611270471 /nfs/dbraw/zinc/27/04/71/611270471.db2.gz JNOCLGWJFLCBRG-CVEARBPZSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)COc2ccccc2)C1 ZINC000923594223 611278988 /nfs/dbraw/zinc/27/89/88/611278988.db2.gz HELVUTPFKFHKFP-OAHLLOKOSA-N 1 1 329.400 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)COc2ccccc2)C1 ZINC000923594223 611278990 /nfs/dbraw/zinc/27/89/90/611278990.db2.gz HELVUTPFKFHKFP-OAHLLOKOSA-N 1 1 329.400 0.395 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2CC1 ZINC000946521321 611298960 /nfs/dbraw/zinc/29/89/60/611298960.db2.gz NXDQQTMPHAUUMP-YIYPIFLZSA-N 1 1 332.404 0.122 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2CC1 ZINC000946521425 611299074 /nfs/dbraw/zinc/29/90/74/611299074.db2.gz RLQBQSXUQAHGQG-KFWWJZLASA-N 1 1 333.436 0.342 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 ZINC000865790434 611326986 /nfs/dbraw/zinc/32/69/86/611326986.db2.gz WAHUPCQYIPIPIY-UHFFFAOYSA-N 1 1 339.399 0.933 20 30 ECEDMO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000922025443 611331638 /nfs/dbraw/zinc/33/16/38/611331638.db2.gz ISHVSCKYIWWOKW-KGLIPLIRSA-N 1 1 330.454 0.118 20 30 ECEDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000922025443 611331640 /nfs/dbraw/zinc/33/16/40/611331640.db2.gz ISHVSCKYIWWOKW-KGLIPLIRSA-N 1 1 330.454 0.118 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 ZINC000948673511 611350542 /nfs/dbraw/zinc/35/05/42/611350542.db2.gz AZWAJCTYJZMKTE-MRXNPFEDSA-N 1 1 336.480 0.697 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[NH+]2CCN(CC(=O)NCC)CC2)cc1 ZINC000929119614 611731149 /nfs/dbraw/zinc/73/11/49/611731149.db2.gz HOTKHGPHEPCGTD-UHFFFAOYSA-N 1 1 342.443 0.750 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C ZINC000947929747 611744905 /nfs/dbraw/zinc/74/49/05/611744905.db2.gz NUFBIHNTHZCSIE-STQMWFEESA-N 1 1 344.419 0.967 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)[C@H](C)C2)nc1 ZINC000947949681 611752877 /nfs/dbraw/zinc/75/28/77/611752877.db2.gz YYYWNVPYYLGPLH-CZUORRHYSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H](C)C2)nc1 ZINC000947949681 611752879 /nfs/dbraw/zinc/75/28/79/611752879.db2.gz YYYWNVPYYLGPLH-CZUORRHYSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C)no2)C1 ZINC000950645407 611814664 /nfs/dbraw/zinc/81/46/64/611814664.db2.gz WAHBNZDMBFMYHI-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C)no2)C1 ZINC000950645407 611814666 /nfs/dbraw/zinc/81/46/66/611814666.db2.gz WAHBNZDMBFMYHI-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CCN1CCC2(CC1)CN(C(=O)C13CCC[NH+]1CCC3)CCO2 ZINC000949132983 611867715 /nfs/dbraw/zinc/86/77/15/611867715.db2.gz ZJLWXISOQQWIGL-UHFFFAOYSA-N 1 1 331.460 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c(C)noc1C ZINC000950753963 611889484 /nfs/dbraw/zinc/88/94/84/611889484.db2.gz PEQUQRCCKMDHAV-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c(C)noc1C ZINC000950753963 611889487 /nfs/dbraw/zinc/88/94/87/611889487.db2.gz PEQUQRCCKMDHAV-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(F)nc1 ZINC000950755629 611891215 /nfs/dbraw/zinc/89/12/15/611891215.db2.gz QGLQEZLUSPLJGG-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(F)nc1 ZINC000950755629 611891217 /nfs/dbraw/zinc/89/12/17/611891217.db2.gz QGLQEZLUSPLJGG-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(OC)no1 ZINC000950755878 611891890 /nfs/dbraw/zinc/89/18/90/611891890.db2.gz WXMCDGYPSLEATA-STQMWFEESA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(OC)no1 ZINC000950755878 611891891 /nfs/dbraw/zinc/89/18/91/611891891.db2.gz WXMCDGYPSLEATA-STQMWFEESA-N 1 1 346.387 0.112 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC000950197306 611902251 /nfs/dbraw/zinc/90/22/51/611902251.db2.gz WJGIPOXXTPHFQT-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000949283408 611927798 /nfs/dbraw/zinc/92/77/98/611927798.db2.gz MZRAWUDURYZPCR-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC000949340549 611944520 /nfs/dbraw/zinc/94/45/20/611944520.db2.gz SLEALWOQYPXBEJ-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000950862953 611951435 /nfs/dbraw/zinc/95/14/35/611951435.db2.gz ODZOEHJGHBNALJ-CVEARBPZSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000950866263 611954382 /nfs/dbraw/zinc/95/43/82/611954382.db2.gz KHNFRPNHULSFKV-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)no1 ZINC000950874244 611960793 /nfs/dbraw/zinc/96/07/93/611960793.db2.gz IBTUSMIHMKBIGU-ZDUSSCGKSA-N 1 1 330.388 0.480 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000949388030 611961115 /nfs/dbraw/zinc/96/11/15/611961115.db2.gz YUOWBWLIKPNDCG-LBPRGKRZSA-N 1 1 347.419 0.864 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)C1 ZINC000949429674 611976975 /nfs/dbraw/zinc/97/69/75/611976975.db2.gz BINWVSYPCJLTCQ-HUUCEWRRSA-N 1 1 333.432 0.215 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)C1 ZINC000949429674 611976976 /nfs/dbraw/zinc/97/69/76/611976976.db2.gz BINWVSYPCJLTCQ-HUUCEWRRSA-N 1 1 333.432 0.215 20 30 ECEDMO C#CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000949471302 611991922 /nfs/dbraw/zinc/99/19/22/611991922.db2.gz XCKZFXRECOYCMU-DLBZAZTESA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCCN1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000949471302 611991925 /nfs/dbraw/zinc/99/19/25/611991925.db2.gz XCKZFXRECOYCMU-DLBZAZTESA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCCN1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000949471302 611991926 /nfs/dbraw/zinc/99/19/26/611991926.db2.gz XCKZFXRECOYCMU-DLBZAZTESA-N 1 1 333.476 0.901 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC000949519982 612018815 /nfs/dbraw/zinc/01/88/15/612018815.db2.gz FALKTWIMYVJBOL-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC000949519982 612018816 /nfs/dbraw/zinc/01/88/16/612018816.db2.gz FALKTWIMYVJBOL-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CN(CC)CCO3)CC2)C1 ZINC000949529468 612022565 /nfs/dbraw/zinc/02/25/65/612022565.db2.gz VKFWMXBMYVGOJC-QGZVFWFLSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2=COCCO2)C1 ZINC000951223463 612088638 /nfs/dbraw/zinc/08/86/38/612088638.db2.gz IILUDHXKXPJKSS-CABCVRRESA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2=COCCO2)C1 ZINC000951223463 612088641 /nfs/dbraw/zinc/08/86/41/612088641.db2.gz IILUDHXKXPJKSS-CABCVRRESA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC000951933827 612141573 /nfs/dbraw/zinc/14/15/73/612141573.db2.gz OACPTPIXHOKHBB-OCCSQVGLSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC000951933827 612141576 /nfs/dbraw/zinc/14/15/76/612141576.db2.gz OACPTPIXHOKHBB-OCCSQVGLSA-N 1 1 347.394 0.367 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000953196170 612200603 /nfs/dbraw/zinc/20/06/03/612200603.db2.gz VQBQPNVWMAQGEU-YJBOKZPZSA-N 1 1 348.447 0.319 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC000952176249 612265009 /nfs/dbraw/zinc/26/50/09/612265009.db2.gz CAIYSFOJQZLEOI-ZNMIVQPWSA-N 1 1 332.404 0.500 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000954472268 612308656 /nfs/dbraw/zinc/30/86/56/612308656.db2.gz DBFHGOHECDCJDC-ABAIWWIYSA-N 1 1 344.419 0.619 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000954472268 612308661 /nfs/dbraw/zinc/30/86/61/612308661.db2.gz DBFHGOHECDCJDC-ABAIWWIYSA-N 1 1 344.419 0.619 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nccn2CC)C1 ZINC000954630339 612467555 /nfs/dbraw/zinc/46/75/55/612467555.db2.gz CHVFZTKWANUAPB-HNNXBMFYSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nccn2CC)C1 ZINC000954630339 612467559 /nfs/dbraw/zinc/46/75/59/612467559.db2.gz CHVFZTKWANUAPB-HNNXBMFYSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000954631447 612470090 /nfs/dbraw/zinc/47/00/90/612470090.db2.gz XNBKSNTXTDGFBZ-IRXDYDNUSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000954631447 612470095 /nfs/dbraw/zinc/47/00/95/612470095.db2.gz XNBKSNTXTDGFBZ-IRXDYDNUSA-N 1 1 347.459 0.712 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000955344411 612471387 /nfs/dbraw/zinc/47/13/87/612471387.db2.gz BHHGKTPSBDOSGC-CVEARBPZSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000954632214 612471369 /nfs/dbraw/zinc/47/13/69/612471369.db2.gz SCMIMLMBOXODNF-HOTGVXAUSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000954632214 612471374 /nfs/dbraw/zinc/47/13/74/612471374.db2.gz SCMIMLMBOXODNF-HOTGVXAUSA-N 1 1 329.444 0.943 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000955346763 612475586 /nfs/dbraw/zinc/47/55/86/612475586.db2.gz LBNAOTPOVAWTTK-SMDDNHRTSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cnc(C)[nH]2)C1 ZINC000956765525 612492620 /nfs/dbraw/zinc/49/26/20/612492620.db2.gz UQKGPQWOZNQRFT-MAUKXSAKSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cnc(C)[nH]2)C1 ZINC000956765525 612492624 /nfs/dbraw/zinc/49/26/24/612492624.db2.gz UQKGPQWOZNQRFT-MAUKXSAKSA-N 1 1 343.431 0.537 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956802895 612566820 /nfs/dbraw/zinc/56/68/20/612566820.db2.gz VCPNFBUECKCWCK-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2ccccc2)C1 ZINC000954711783 612583904 /nfs/dbraw/zinc/58/39/04/612583904.db2.gz KSBHYLFYXBDEML-SFHVURJKSA-N 1 1 339.439 0.996 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2ccccc2)C1 ZINC000954711783 612583908 /nfs/dbraw/zinc/58/39/08/612583908.db2.gz KSBHYLFYXBDEML-SFHVURJKSA-N 1 1 339.439 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C)nc2)C1 ZINC000953749637 612585387 /nfs/dbraw/zinc/58/53/87/612585387.db2.gz NOGZQKMACBTOME-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C)nc2)C1 ZINC000953749637 612585389 /nfs/dbraw/zinc/58/53/89/612585389.db2.gz NOGZQKMACBTOME-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CC1(O)CCC1 ZINC000956000905 612591985 /nfs/dbraw/zinc/59/19/85/612591985.db2.gz JSDRGGJLVVNJCX-HOTGVXAUSA-N 1 1 347.459 0.496 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CC1(O)CCC1 ZINC000956000905 612591988 /nfs/dbraw/zinc/59/19/88/612591988.db2.gz JSDRGGJLVVNJCX-HOTGVXAUSA-N 1 1 347.459 0.496 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956834042 612604710 /nfs/dbraw/zinc/60/47/10/612604710.db2.gz IZIIJFVPAFVXOV-SCLBCKFNSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956837860 612607370 /nfs/dbraw/zinc/60/73/70/612607370.db2.gz SHBYDICNHDZCHR-SJCJKPOMSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956018177 612614721 /nfs/dbraw/zinc/61/47/21/612614721.db2.gz HLQJZTVGCJAQOW-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954073849 612632578 /nfs/dbraw/zinc/63/25/78/612632578.db2.gz UZOZOXJGGXKRGC-INIZCTEOSA-N 1 1 339.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954073849 612632584 /nfs/dbraw/zinc/63/25/84/612632584.db2.gz UZOZOXJGGXKRGC-INIZCTEOSA-N 1 1 339.399 0.267 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nc(C)oc1C ZINC000951822577 612666703 /nfs/dbraw/zinc/66/67/03/612666703.db2.gz DGYXDYGELDGOEF-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nc(C)oc1C ZINC000951822577 612666705 /nfs/dbraw/zinc/66/67/05/612666705.db2.gz DGYXDYGELDGOEF-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ncc[nH]2)C1 ZINC000956900885 612689398 /nfs/dbraw/zinc/68/93/98/612689398.db2.gz QJQVQUAMILXPGM-SUMWQHHRSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ncc[nH]2)C1 ZINC000956900885 612689400 /nfs/dbraw/zinc/68/94/00/612689400.db2.gz QJQVQUAMILXPGM-SUMWQHHRSA-N 1 1 329.404 0.228 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(C)(NC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000956346715 612845465 /nfs/dbraw/zinc/84/54/65/612845465.db2.gz PQBUCKVUDKXWAK-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)nc1 ZINC000954326782 612858198 /nfs/dbraw/zinc/85/81/98/612858198.db2.gz PHGIBJMUMALBTC-UHFFFAOYSA-N 1 1 337.383 0.551 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000954330398 612860657 /nfs/dbraw/zinc/86/06/57/612860657.db2.gz XBEVWUKWVQWEHG-RDJZCZTQSA-N 1 1 346.431 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000955057763 612873438 /nfs/dbraw/zinc/87/34/38/612873438.db2.gz LOTBMQYIQYOZIP-HWMZRRJGSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000955057763 612873440 /nfs/dbraw/zinc/87/34/40/612873440.db2.gz LOTBMQYIQYOZIP-HWMZRRJGSA-N 1 1 329.444 0.799 20 30 ECEDMO Cc1ncc(C#N)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737596 720671625 /nfs/dbraw/zinc/67/16/25/720671625.db2.gz GLTQBOOTOHFFSA-HUUCEWRRSA-N 1 1 337.387 0.789 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C#N)nc3C)CC[C@@H]2C1 ZINC001164861571 720869901 /nfs/dbraw/zinc/86/99/01/720869901.db2.gz XYOFBVGVDLLBNU-GDBMZVCRSA-N 1 1 331.420 0.830 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC001041784858 782199090 /nfs/dbraw/zinc/19/90/90/782199090.db2.gz AFTBGDXXUCYSOB-GOSISDBHSA-N 1 1 339.399 0.996 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC000972008608 735494182 /nfs/dbraw/zinc/49/41/82/735494182.db2.gz JPYDXVTXODRWGY-GFCCVEGCSA-N 1 1 327.816 0.257 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC000972008608 735494186 /nfs/dbraw/zinc/49/41/86/735494186.db2.gz JPYDXVTXODRWGY-GFCCVEGCSA-N 1 1 327.816 0.257 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CCn3cnccc3=O)[C@H]2C1 ZINC001083236312 735502306 /nfs/dbraw/zinc/50/23/06/735502306.db2.gz VUTPAISFNCJXOQ-LSDHHAIUSA-N 1 1 332.404 0.121 20 30 ECEDMO Cn1ncnc1C[NH2+]C[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001024933146 738408114 /nfs/dbraw/zinc/40/81/14/738408114.db2.gz SFFWTRBJXMCHPL-CQSZACIVSA-N 1 1 327.392 0.799 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@H+]2CC(=O)NC)nc1 ZINC000969122183 731495272 /nfs/dbraw/zinc/49/52/72/731495272.db2.gz YXAGXVRTBKOEOG-HNNXBMFYSA-N 1 1 328.416 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(=O)NC)nc1 ZINC000969122183 731495273 /nfs/dbraw/zinc/49/52/73/731495273.db2.gz YXAGXVRTBKOEOG-HNNXBMFYSA-N 1 1 328.416 0.783 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000969142056 731521753 /nfs/dbraw/zinc/52/17/53/731521753.db2.gz UEAPYVFKRCHFLO-ZDUSSCGKSA-N 1 1 332.404 0.484 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000969150410 731526671 /nfs/dbraw/zinc/52/66/71/731526671.db2.gz HPBMJIMMFDWNAI-ZIAGYGMSSA-N 1 1 327.450 0.062 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccccn3)C2)C1=O ZINC000969199142 731585766 /nfs/dbraw/zinc/58/57/66/731585766.db2.gz MYKUDMOJXMHKTO-CJNGLKHVSA-N 1 1 328.416 0.919 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccccn3)C2)C1=O ZINC000969199144 731585787 /nfs/dbraw/zinc/58/57/87/731585787.db2.gz MYKUDMOJXMHKTO-CZUORRHYSA-N 1 1 328.416 0.919 20 30 ECEDMO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005285 738534028 /nfs/dbraw/zinc/53/40/28/738534028.db2.gz DQYGTNVUODDECS-KBPBESRZSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005285 738534030 /nfs/dbraw/zinc/53/40/30/738534030.db2.gz DQYGTNVUODDECS-KBPBESRZSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001041806160 782239397 /nfs/dbraw/zinc/23/93/97/782239397.db2.gz UXYPKPSVASVVDP-HOTGVXAUSA-N 1 1 339.461 0.016 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(C(N)=O)c3)[C@H]2C1 ZINC001083276395 738543112 /nfs/dbraw/zinc/54/31/12/738543112.db2.gz AWYDVQYOLLYZGS-LSDHHAIUSA-N 1 1 332.404 0.605 20 30 ECEDMO C=C(Br)CN1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969441684 731884082 /nfs/dbraw/zinc/88/40/82/731884082.db2.gz LTZLSBJADLGDLB-DGCLKSJQSA-N 1 1 346.269 0.662 20 30 ECEDMO C=C(Br)CN1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969441684 731884088 /nfs/dbraw/zinc/88/40/88/731884088.db2.gz LTZLSBJADLGDLB-DGCLKSJQSA-N 1 1 346.269 0.662 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2O)cc1 ZINC000969473543 731914888 /nfs/dbraw/zinc/91/48/88/731914888.db2.gz VJCQVBFBWJAHGC-ZACQAIPSSA-N 1 1 341.411 0.064 20 30 ECEDMO CC(C)N1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000969506133 731934965 /nfs/dbraw/zinc/93/49/65/731934965.db2.gz NBCIWTLURIWNCI-MLGOLLRUSA-N 1 1 343.431 0.946 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C)ncn3)C2)C1=O ZINC000969509006 731937775 /nfs/dbraw/zinc/93/77/75/731937775.db2.gz RNAHEVVJLOCVLP-BBRMVZONSA-N 1 1 343.431 0.622 20 30 ECEDMO CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000969525722 731948428 /nfs/dbraw/zinc/94/84/28/731948428.db2.gz DJAFQEHABZVHBP-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973048838 738581979 /nfs/dbraw/zinc/58/19/79/738581979.db2.gz VEMZXZRQTVLDGH-KGLIPLIRSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973048838 738581981 /nfs/dbraw/zinc/58/19/81/738581981.db2.gz VEMZXZRQTVLDGH-KGLIPLIRSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccns3)C2)C1=O ZINC000969779738 732343620 /nfs/dbraw/zinc/34/36/20/732343620.db2.gz QKNRFURKBWSDJY-YPMHNXCESA-N 1 1 334.445 0.980 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001208963470 732439087 /nfs/dbraw/zinc/43/90/87/732439087.db2.gz LPMNZKLLOAMCRW-IVMMDQJWSA-N 1 1 347.463 0.952 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001208963470 732439090 /nfs/dbraw/zinc/43/90/90/732439090.db2.gz LPMNZKLLOAMCRW-IVMMDQJWSA-N 1 1 347.463 0.952 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cnn(C)c2)C1 ZINC000969867758 732462449 /nfs/dbraw/zinc/46/24/49/732462449.db2.gz GCGHCXPTPLFMEV-YOEHRIQHSA-N 1 1 329.448 0.454 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC000969908211 732506350 /nfs/dbraw/zinc/50/63/50/732506350.db2.gz POYNQWJTRTYEKV-FZMZJTMJSA-N 1 1 345.403 0.019 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC001041820707 782269215 /nfs/dbraw/zinc/26/92/15/782269215.db2.gz VLNRQFXPODEZBU-SFHVURJKSA-N 1 1 348.447 0.771 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(C)c2)C1 ZINC001111583203 732647888 /nfs/dbraw/zinc/64/78/88/732647888.db2.gz LCQMJWRKDLWUAN-XUWXXGDYSA-N 1 1 343.431 0.142 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001041823723 782275908 /nfs/dbraw/zinc/27/59/08/782275908.db2.gz OKVYQMXUXCEJBW-RDTXWAMCSA-N 1 1 348.447 0.865 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC000970065900 732711005 /nfs/dbraw/zinc/71/10/05/732711005.db2.gz FXKHDAMKDNQKTQ-LLVKDONJSA-N 1 1 328.372 0.486 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041824986 782280378 /nfs/dbraw/zinc/28/03/78/782280378.db2.gz ZPGJSZJSBHEHNJ-GUYCJALGSA-N 1 1 334.420 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(=O)n(CCC)n3)C2)C1 ZINC001041825891 782282157 /nfs/dbraw/zinc/28/21/57/782282157.db2.gz YBURLUVNNGINHO-SFHVURJKSA-N 1 1 328.416 0.825 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC001041828233 782285703 /nfs/dbraw/zinc/28/57/03/782285703.db2.gz WNZKIWPFAFMPNR-QGZVFWFLSA-N 1 1 330.388 0.869 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001041829613 782292552 /nfs/dbraw/zinc/29/25/52/782292552.db2.gz ZMXQBGXSKOFHOU-KRWDZBQOSA-N 1 1 332.404 0.600 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C(=O)N2CC[C@H](C)C2)CC1 ZINC001098528753 732891621 /nfs/dbraw/zinc/89/16/21/732891621.db2.gz OUFOEVONZAXAOP-HNNXBMFYSA-N 1 1 335.448 0.163 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnn(C)n2)nn1 ZINC001025107257 738659798 /nfs/dbraw/zinc/65/97/98/738659798.db2.gz DLFFELLQAIFQBP-CQSZACIVSA-N 1 1 344.423 0.377 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccc(C#N)cn1)C(=O)C[N@@H+](C)C1CCC1 ZINC001125321824 732993752 /nfs/dbraw/zinc/99/37/52/732993752.db2.gz QESOQQGCTJCBTE-MRXNPFEDSA-N 1 1 345.447 0.693 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC001041836136 782311418 /nfs/dbraw/zinc/31/14/18/782311418.db2.gz PHPCVTJLQDSOMM-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC001041836137 782312016 /nfs/dbraw/zinc/31/20/16/782312016.db2.gz PHPCVTJLQDSOMM-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)Cc2cnn(CC)c2)CC1 ZINC001098530744 733026403 /nfs/dbraw/zinc/02/64/03/733026403.db2.gz LHBLKCIGJOULKC-UHFFFAOYSA-N 1 1 332.448 0.754 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@](C)(NC(C)=O)C2CC2)CC1 ZINC001098530900 733028448 /nfs/dbraw/zinc/02/84/48/733028448.db2.gz SPHFLZLCTKUIGR-SFHVURJKSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCOCC3=O)CC2)C1 ZINC001039134976 733084301 /nfs/dbraw/zinc/08/43/01/733084301.db2.gz WTNKVSWOLCLZLM-QGZVFWFLSA-N 1 1 347.459 0.429 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2ccc(N(C)C)nn2)CC1 ZINC001098534796 733104440 /nfs/dbraw/zinc/10/44/40/733104440.db2.gz GFQPFOIVUSNNJA-UHFFFAOYSA-N 1 1 331.420 0.075 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2ccc(N(C)C)nn2)CC1 ZINC001098534912 733107922 /nfs/dbraw/zinc/10/79/22/733107922.db2.gz NBEOACLHTXACSW-UHFFFAOYSA-N 1 1 333.436 0.628 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC001041844081 782326141 /nfs/dbraw/zinc/32/61/41/782326141.db2.gz ZXNOZFXQYSNSIY-CRAIPNDOSA-N 1 1 327.432 0.788 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2ccc(N(C)C)nn2)CC1 ZINC001098536416 733191957 /nfs/dbraw/zinc/19/19/57/733191957.db2.gz JRKDUDGZCVWXQW-UHFFFAOYSA-N 1 1 345.447 0.465 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCN(C)C1=O)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970292399 733318733 /nfs/dbraw/zinc/31/87/33/733318733.db2.gz LLJJTSMPZFHBQE-CRAIPNDOSA-N 1 1 339.439 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC000970301333 733335623 /nfs/dbraw/zinc/33/56/23/733335623.db2.gz VGDIRTHVTZEPKL-JZYAIQKZSA-N 1 1 333.432 0.102 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC000970402327 733474295 /nfs/dbraw/zinc/47/42/95/733474295.db2.gz XQIQOZMLQMMXQR-BLLLJJGKSA-N 1 1 326.400 0.344 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3c(OC)ncnc3OC)C2)C1 ZINC001041856705 782349043 /nfs/dbraw/zinc/34/90/43/782349043.db2.gz LLLGANZHFXNONC-KRWDZBQOSA-N 1 1 330.388 0.665 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N(C)C)C2)cc1 ZINC000970538880 733657537 /nfs/dbraw/zinc/65/75/37/733657537.db2.gz WAYZRZLOBQMPGT-AWEZNQCLSA-N 1 1 343.427 0.837 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3cnn(C)c3)C2)nn1 ZINC000970547852 733665287 /nfs/dbraw/zinc/66/52/87/733665287.db2.gz JRVZRMUJAHTREW-LBPRGKRZSA-N 1 1 329.408 0.448 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)N3CCOCC3)CC2)C1 ZINC001039189719 733708734 /nfs/dbraw/zinc/70/87/34/733708734.db2.gz PDQSJFJYKKWTIJ-FUHWJXTLSA-N 1 1 333.476 0.901 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ncccn3)C2)C1=O ZINC000970628782 733761035 /nfs/dbraw/zinc/76/10/35/733761035.db2.gz RFUCSKXEEBGLGP-TZMCWYRMSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(=O)NC)C1 ZINC000970713844 733861334 /nfs/dbraw/zinc/86/13/34/733861334.db2.gz KVXGCCRJKMSVLE-QWHCGFSZSA-N 1 1 346.431 0.831 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001111488494 734140910 /nfs/dbraw/zinc/14/09/10/734140910.db2.gz LWRROFSRHSFIFF-TUVASFSCSA-N 1 1 349.431 0.448 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001111488494 734140911 /nfs/dbraw/zinc/14/09/11/734140911.db2.gz LWRROFSRHSFIFF-TUVASFSCSA-N 1 1 349.431 0.448 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CNc3ncccc3C#N)CC2)C1 ZINC001067476779 734194415 /nfs/dbraw/zinc/19/44/15/734194415.db2.gz FXRHBTOWXYQKBV-HNNXBMFYSA-N 1 1 343.431 0.670 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 ZINC001104319047 734287090 /nfs/dbraw/zinc/28/70/90/734287090.db2.gz ZUSGJOAFDHILLL-ZDUSSCGKSA-N 1 1 332.408 0.010 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NS(C)(=O)=O ZINC001114943206 734289133 /nfs/dbraw/zinc/28/91/33/734289133.db2.gz VHWFBJHGZMEZPK-URLYPYJESA-N 1 1 335.857 0.113 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NS(C)(=O)=O ZINC001114943206 734289136 /nfs/dbraw/zinc/28/91/36/734289136.db2.gz VHWFBJHGZMEZPK-URLYPYJESA-N 1 1 335.857 0.113 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ccncc2C#N)CCO1 ZINC001104322743 734300783 /nfs/dbraw/zinc/30/07/83/734300783.db2.gz ALZHUJKVHBUDGS-OAHLLOKOSA-N 1 1 331.420 0.616 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 ZINC001104328111 734344508 /nfs/dbraw/zinc/34/45/08/734344508.db2.gz FRHBHIBOGZMMIJ-AWEZNQCLSA-N 1 1 332.408 0.011 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 ZINC001104328286 734346445 /nfs/dbraw/zinc/34/64/45/734346445.db2.gz HDPOVDLLJIUJNN-ZDUSSCGKSA-N 1 1 332.408 0.011 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC000973130005 738806122 /nfs/dbraw/zinc/80/61/22/738806122.db2.gz DDQITISKHCVNGE-KKUMJFAQSA-N 1 1 344.415 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC000973130005 738806125 /nfs/dbraw/zinc/80/61/25/738806125.db2.gz DDQITISKHCVNGE-KKUMJFAQSA-N 1 1 344.415 0.766 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971203065 734356747 /nfs/dbraw/zinc/35/67/47/734356747.db2.gz BZAIZTGHCUPXQX-HZPDHXFCSA-N 1 1 326.400 0.870 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2nnn(C(C)(C)C)n2)C1 ZINC000971211379 734363001 /nfs/dbraw/zinc/36/30/01/734363001.db2.gz QRQHJHCDGSBXCR-QWHCGFSZSA-N 1 1 333.440 0.663 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNc2ncc(C#N)cc2F)C1 ZINC001111489048 734402080 /nfs/dbraw/zinc/40/20/80/734402080.db2.gz GPMRUUAOHVIFDG-CYBMUJFWSA-N 1 1 349.410 0.667 20 30 ECEDMO Cc1nc(NCCN(CCO)C(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C#N ZINC001111489268 734408383 /nfs/dbraw/zinc/40/83/83/734408383.db2.gz QQDSYQIAMAHOAI-HNNXBMFYSA-N 1 1 345.447 0.836 20 30 ECEDMO CN1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3C#N)C2)C1 ZINC000971267618 734410326 /nfs/dbraw/zinc/41/03/26/734410326.db2.gz OPTOEYUFIPDKDF-ZWKOTPCHSA-N 1 1 342.443 0.922 20 30 ECEDMO CN1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3C#N)C2)C1 ZINC000971267618 734410329 /nfs/dbraw/zinc/41/03/29/734410329.db2.gz OPTOEYUFIPDKDF-ZWKOTPCHSA-N 1 1 342.443 0.922 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cccnc3)C2)C1=O ZINC000971348970 734462610 /nfs/dbraw/zinc/46/26/10/734462610.db2.gz ZGTIBAHEFJAQCA-SJORKVTESA-N 1 1 342.443 0.944 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cccnc3)C2)C1=O ZINC000971348967 734462629 /nfs/dbraw/zinc/46/26/29/734462629.db2.gz ZGTIBAHEFJAQCA-DLBZAZTESA-N 1 1 342.443 0.944 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000971357331 734470832 /nfs/dbraw/zinc/47/08/32/734470832.db2.gz QZRPVOZEUAAGFV-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC000971380710 734491134 /nfs/dbraw/zinc/49/11/34/734491134.db2.gz UTVXCXAGWCYXKN-QZTJIDSGSA-N 1 1 342.443 0.922 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000971380710 734491136 /nfs/dbraw/zinc/49/11/36/734491136.db2.gz UTVXCXAGWCYXKN-QZTJIDSGSA-N 1 1 342.443 0.922 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545723 734739843 /nfs/dbraw/zinc/73/98/43/734739843.db2.gz YPVFXFJLHXFAOW-AWEZNQCLSA-N 1 1 343.366 0.417 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000971609218 734801953 /nfs/dbraw/zinc/80/19/53/734801953.db2.gz UCSZBEBXZFSJMZ-LBPRGKRZSA-N 1 1 330.417 0.944 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CNC(=O)c2ccco2)CC1 ZINC001098555474 734904152 /nfs/dbraw/zinc/90/41/52/734904152.db2.gz KTRWUIFYHLXOPQ-UHFFFAOYSA-N 1 1 347.415 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nccc(C)n2)C1 ZINC000971703313 734964157 /nfs/dbraw/zinc/96/41/57/734964157.db2.gz CUBKHJMPWBRBJE-IRXDYDNUSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nccc(C)n2)C1 ZINC000971703313 734964158 /nfs/dbraw/zinc/96/41/58/734964158.db2.gz CUBKHJMPWBRBJE-IRXDYDNUSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000971704626 734965827 /nfs/dbraw/zinc/96/58/27/734965827.db2.gz VQCQBGCYQUZKDH-CVEARBPZSA-N 1 1 327.432 0.607 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000971704626 734965829 /nfs/dbraw/zinc/96/58/29/734965829.db2.gz VQCQBGCYQUZKDH-CVEARBPZSA-N 1 1 327.432 0.607 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(Nc3cncc(C#N)n3)CCCC2)C1 ZINC001104379493 735057260 /nfs/dbraw/zinc/05/72/60/735057260.db2.gz WHOFXDPNJBJALS-AWEZNQCLSA-N 1 1 344.419 0.520 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(Nc3cncc(C#N)n3)CCCC2)C1 ZINC001104379493 735057264 /nfs/dbraw/zinc/05/72/64/735057264.db2.gz WHOFXDPNJBJALS-AWEZNQCLSA-N 1 1 344.419 0.520 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000973189166 738878171 /nfs/dbraw/zinc/87/81/71/738878171.db2.gz OGKDJHOLXFMPEP-BPGGGUHBSA-N 1 1 329.404 0.604 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4ncccn4n3)[C@H]2C1 ZINC001083229135 735215989 /nfs/dbraw/zinc/21/59/89/735215989.db2.gz LXXQJTJDRPHESS-LSDHHAIUSA-N 1 1 325.372 0.278 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4ncccn4n3)[C@H]2C1 ZINC001083229135 735215991 /nfs/dbraw/zinc/21/59/91/735215991.db2.gz LXXQJTJDRPHESS-LSDHHAIUSA-N 1 1 325.372 0.278 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3c[nH]nc3CC)C2)C1=O ZINC000971849641 735234437 /nfs/dbraw/zinc/23/44/37/735234437.db2.gz ZWSVLZMCICEWBI-BBRMVZONSA-N 1 1 345.447 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCN3CCNC3=O)C2)cc1 ZINC000972059017 735591948 /nfs/dbraw/zinc/59/19/48/735591948.db2.gz ODQWLJFAPXTVAB-KRWDZBQOSA-N 1 1 340.427 0.839 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)[C@H]1CCC[N@H+]1C ZINC000987928580 751344229 /nfs/dbraw/zinc/34/42/29/751344229.db2.gz VVMNHPKMJBFTCR-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972078080 735617633 /nfs/dbraw/zinc/61/76/33/735617633.db2.gz CGZBIPAVFLHURA-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000972080692 735619633 /nfs/dbraw/zinc/61/96/33/735619633.db2.gz VKTDEANARGAJSW-ZDUSSCGKSA-N 1 1 348.447 0.329 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC)N2CCCC2=O)CC1 ZINC001098564050 735667403 /nfs/dbraw/zinc/66/74/03/735667403.db2.gz KTLQMBNVIMMEOP-MRXNPFEDSA-N 1 1 335.448 0.306 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972201393 735778533 /nfs/dbraw/zinc/77/85/33/735778533.db2.gz XXIXHXHTGRVEKO-LSDHHAIUSA-N 1 1 327.388 0.272 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972208311 735789841 /nfs/dbraw/zinc/78/98/41/735789841.db2.gz YKNXQKWTZJVTNQ-HUUCEWRRSA-N 1 1 327.388 0.272 20 30 ECEDMO C=CCN1CC[C@H](N(C)[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000972235307 735821730 /nfs/dbraw/zinc/82/17/30/735821730.db2.gz MWYSFLJOZYGURG-IRXDYDNUSA-N 1 1 348.491 0.648 20 30 ECEDMO C=CCN1CC[C@H](N(C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000972235312 735821780 /nfs/dbraw/zinc/82/17/80/735821780.db2.gz MWYSFLJOZYGURG-SJORKVTESA-N 1 1 348.491 0.648 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC001098566878 735865897 /nfs/dbraw/zinc/86/58/97/735865897.db2.gz SRHDXCADAVZKNS-AWEZNQCLSA-N 1 1 330.432 0.433 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972348198 735984076 /nfs/dbraw/zinc/98/40/76/735984076.db2.gz GTAPIMZIDODBLG-OAGGEKHMSA-N 1 1 326.400 0.712 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)[C@H]2C1 ZINC001083247367 735988801 /nfs/dbraw/zinc/98/88/01/735988801.db2.gz MUFULZCUCYUVEZ-XOKHGSTOSA-N 1 1 328.416 0.450 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)[C@H]2C1 ZINC001083247367 735988803 /nfs/dbraw/zinc/98/88/03/735988803.db2.gz MUFULZCUCYUVEZ-XOKHGSTOSA-N 1 1 328.416 0.450 20 30 ECEDMO C=C(Cl)CN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083247716 735995943 /nfs/dbraw/zinc/99/59/43/735995943.db2.gz CFRGTSNKYLODLV-SOUVJXGZSA-N 1 1 327.856 0.992 20 30 ECEDMO C#CCC[NH+]1CCC2(CC1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 ZINC001098568613 735996019 /nfs/dbraw/zinc/99/60/19/735996019.db2.gz WIUSYNNSEXYTOX-CQSZACIVSA-N 1 1 342.461 0.136 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3N)C2)C1 ZINC000972356041 736001756 /nfs/dbraw/zinc/00/17/56/736001756.db2.gz VACFALSUNLPKCM-KRWDZBQOSA-N 1 1 333.436 0.885 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000972387774 736059659 /nfs/dbraw/zinc/05/96/59/736059659.db2.gz XOZAFCYFAYOKHY-QGZVFWFLSA-N 1 1 346.435 0.368 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000972387774 736059662 /nfs/dbraw/zinc/05/96/62/736059662.db2.gz XOZAFCYFAYOKHY-QGZVFWFLSA-N 1 1 346.435 0.368 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001078219869 782512691 /nfs/dbraw/zinc/51/26/91/782512691.db2.gz PSEBSCKAFLFXFE-BZUAXINKSA-N 1 1 335.448 0.210 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001078219869 782512697 /nfs/dbraw/zinc/51/26/97/782512697.db2.gz PSEBSCKAFLFXFE-BZUAXINKSA-N 1 1 335.448 0.210 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972406970 736134611 /nfs/dbraw/zinc/13/46/11/736134611.db2.gz JAWUDRGLWMGVTC-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972406970 736134613 /nfs/dbraw/zinc/13/46/13/736134613.db2.gz JAWUDRGLWMGVTC-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000972410765 736144123 /nfs/dbraw/zinc/14/41/23/736144123.db2.gz UODQQHOFQUZPOK-YJBOKZPZSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)OCCOCC)CC1 ZINC001098570976 736144831 /nfs/dbraw/zinc/14/48/31/736144831.db2.gz KURXFBOHFRDHFK-HNNXBMFYSA-N 1 1 328.453 0.899 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972410950 736145797 /nfs/dbraw/zinc/14/57/97/736145797.db2.gz YCKNNENUXZEGRD-QAPCUYQASA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972410950 736145798 /nfs/dbraw/zinc/14/57/98/736145798.db2.gz YCKNNENUXZEGRD-QAPCUYQASA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCOC)CCO2 ZINC000972415888 736156340 /nfs/dbraw/zinc/15/63/40/736156340.db2.gz BFOBNZGLSBTFEN-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCOC)CCO2 ZINC000972415888 736156342 /nfs/dbraw/zinc/15/63/42/736156342.db2.gz BFOBNZGLSBTFEN-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 ZINC000972449447 736228538 /nfs/dbraw/zinc/22/85/38/736228538.db2.gz KNIGTMMQLSAALC-SFHVURJKSA-N 1 1 344.415 0.606 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 ZINC000972449447 736228542 /nfs/dbraw/zinc/22/85/42/736228542.db2.gz KNIGTMMQLSAALC-SFHVURJKSA-N 1 1 344.415 0.606 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccn2C)C1 ZINC001111589045 736253531 /nfs/dbraw/zinc/25/35/31/736253531.db2.gz WOMOVTQWAYDIIZ-KSSFIOAISA-N 1 1 330.432 0.912 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccn2C)C1 ZINC001111589045 736253532 /nfs/dbraw/zinc/25/35/32/736253532.db2.gz WOMOVTQWAYDIIZ-KSSFIOAISA-N 1 1 330.432 0.912 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H](C)COC)C[C@@H]32)cn1 ZINC001083253356 736261738 /nfs/dbraw/zinc/26/17/38/736261738.db2.gz KGAGZJCYLOTAAL-RRQGHBQHSA-N 1 1 329.400 0.623 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000972480048 736304541 /nfs/dbraw/zinc/30/45/41/736304541.db2.gz GNNSULISXRQYBQ-ZWKOTPCHSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480201 736304920 /nfs/dbraw/zinc/30/49/20/736304920.db2.gz HXSUODHPXAILTH-FUHWJXTLSA-N 1 1 346.431 0.434 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480201 736304925 /nfs/dbraw/zinc/30/49/25/736304925.db2.gz HXSUODHPXAILTH-FUHWJXTLSA-N 1 1 346.431 0.434 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccs2)C1 ZINC001022966991 736336728 /nfs/dbraw/zinc/33/67/28/736336728.db2.gz UMKHKAMBAROKBK-HZSPNIEDSA-N 1 1 347.440 0.147 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccs2)C1 ZINC001022966991 736336732 /nfs/dbraw/zinc/33/67/32/736336732.db2.gz UMKHKAMBAROKBK-HZSPNIEDSA-N 1 1 347.440 0.147 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C2)C1 ZINC000981966811 751370746 /nfs/dbraw/zinc/37/07/46/751370746.db2.gz FFNULIJVXXTQSY-UHFFFAOYSA-N 1 1 325.372 0.835 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C2)cc1 ZINC000972496919 736407339 /nfs/dbraw/zinc/40/73/39/736407339.db2.gz YAZQTOJLCAMMNF-UKRRQHHQSA-N 1 1 329.400 0.719 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)CCN3CCCC3=O)C2)nn1 ZINC000972502871 736433442 /nfs/dbraw/zinc/43/34/42/736433442.db2.gz YXDQKTLUDHMVCN-AWEZNQCLSA-N 1 1 346.435 0.233 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nc[nH]c3=O)C2)C1 ZINC000972511734 736495342 /nfs/dbraw/zinc/49/53/42/736495342.db2.gz HBHUJOOQCKUBRR-QGZVFWFLSA-N 1 1 332.404 0.984 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nc[nH]c3=O)C2)C1 ZINC000972511734 736495345 /nfs/dbraw/zinc/49/53/45/736495345.db2.gz HBHUJOOQCKUBRR-QGZVFWFLSA-N 1 1 332.404 0.984 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cncnc3)C2)C1 ZINC000972518107 736533608 /nfs/dbraw/zinc/53/36/08/736533608.db2.gz HREDPALZOHOCEN-CRAIPNDOSA-N 1 1 328.416 0.907 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cncnc3)C2)C1 ZINC000972518107 736533611 /nfs/dbraw/zinc/53/36/11/736533611.db2.gz HREDPALZOHOCEN-CRAIPNDOSA-N 1 1 328.416 0.907 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972525154 736569195 /nfs/dbraw/zinc/56/91/95/736569195.db2.gz YZYFQQZNPOARKC-SFHVURJKSA-N 1 1 347.415 0.800 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972525154 736569198 /nfs/dbraw/zinc/56/91/98/736569198.db2.gz YZYFQQZNPOARKC-SFHVURJKSA-N 1 1 347.415 0.800 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972524686 736569753 /nfs/dbraw/zinc/56/97/53/736569753.db2.gz VOUPIUKHUUSFAT-KDOFPFPSSA-N 1 1 343.431 0.551 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972524686 736569755 /nfs/dbraw/zinc/56/97/55/736569755.db2.gz VOUPIUKHUUSFAT-KDOFPFPSSA-N 1 1 343.431 0.551 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C)c[nH]1 ZINC001114949400 736595104 /nfs/dbraw/zinc/59/51/04/736595104.db2.gz LVCZUZNDAWEYKD-NHAGDIPZSA-N 1 1 344.419 0.140 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C)c[nH]1 ZINC001114949400 736595106 /nfs/dbraw/zinc/59/51/06/736595106.db2.gz LVCZUZNDAWEYKD-NHAGDIPZSA-N 1 1 344.419 0.140 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4cccnc4C3)[C@H]2C1 ZINC001083259523 736646429 /nfs/dbraw/zinc/64/64/29/736646429.db2.gz FUBGECMDXWQNHE-RYQLBKOJSA-N 1 1 325.412 0.731 20 30 ECEDMO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001023319009 736679310 /nfs/dbraw/zinc/67/93/10/736679310.db2.gz QRXKQWXBEXYRSN-GFCCVEGCSA-N 1 1 327.392 0.657 20 30 ECEDMO Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001023319009 736679313 /nfs/dbraw/zinc/67/93/13/736679313.db2.gz QRXKQWXBEXYRSN-GFCCVEGCSA-N 1 1 327.392 0.657 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)[nH]1 ZINC001023319360 736679405 /nfs/dbraw/zinc/67/94/05/736679405.db2.gz ZTUVVMOIQRJTOQ-IUODEOHRSA-N 1 1 329.404 0.607 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001023320211 736680486 /nfs/dbraw/zinc/68/04/86/736680486.db2.gz VUUJRGUTHNEXGE-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001023410918 736794178 /nfs/dbraw/zinc/79/41/78/736794178.db2.gz XSRHIRGKGGQDEX-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001023410924 736794367 /nfs/dbraw/zinc/79/43/67/736794367.db2.gz XSRHIRGKGGQDEX-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2nncn2C)C1 ZINC001023424369 736813518 /nfs/dbraw/zinc/81/35/18/736813518.db2.gz WIYKFNNDEYZTGM-CVEARBPZSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2nncn2C)C1 ZINC001023424369 736813522 /nfs/dbraw/zinc/81/35/22/736813522.db2.gz WIYKFNNDEYZTGM-CVEARBPZSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023449262 736847671 /nfs/dbraw/zinc/84/76/71/736847671.db2.gz LHPAEJINGDGHCO-KGLIPLIRSA-N 1 1 331.420 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cnc3sccn3c2=O)C1 ZINC001023474746 736888288 /nfs/dbraw/zinc/88/82/88/736888288.db2.gz FSSWPIVWRXGWBU-GFCCVEGCSA-N 1 1 330.413 0.831 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001023503256 736928787 /nfs/dbraw/zinc/92/87/87/736928787.db2.gz NOHLNGLZKMZMJP-ZFWWWQNUSA-N 1 1 331.420 0.770 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001023510897 736936492 /nfs/dbraw/zinc/93/64/92/736936492.db2.gz SVQOACJGQOHDLF-KGLIPLIRSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001023510308 736940997 /nfs/dbraw/zinc/94/09/97/736940997.db2.gz HOPMICBYFCRPFC-ZWKOTPCHSA-N 1 1 333.476 0.949 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)cc1 ZINC000972582872 736948754 /nfs/dbraw/zinc/94/87/54/736948754.db2.gz OPVUKWJKBJMSGG-LJQANCHMSA-N 1 1 344.411 0.608 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)cc1 ZINC000972582872 736948756 /nfs/dbraw/zinc/94/87/56/736948756.db2.gz OPVUKWJKBJMSGG-LJQANCHMSA-N 1 1 344.411 0.608 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCCO)CCO3)nn1 ZINC000972589342 736997668 /nfs/dbraw/zinc/99/76/68/736997668.db2.gz HJGYOBKCPWACBF-KRWDZBQOSA-N 1 1 349.435 0.154 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCCO)CCO3)nn1 ZINC000972589342 736997670 /nfs/dbraw/zinc/99/76/70/736997670.db2.gz HJGYOBKCPWACBF-KRWDZBQOSA-N 1 1 349.435 0.154 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001023565612 737018284 /nfs/dbraw/zinc/01/82/84/737018284.db2.gz BKZDNKIJTRUTOC-XJKSGUPXSA-N 1 1 341.415 0.568 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001023625312 737107358 /nfs/dbraw/zinc/10/73/58/737107358.db2.gz LLYSMOHFPBOZCT-CQSZACIVSA-N 1 1 326.462 0.663 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001023637663 737124130 /nfs/dbraw/zinc/12/41/30/737124130.db2.gz RESLEYVGPVQNBD-CYBMUJFWSA-N 1 1 346.435 0.185 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001023643111 737132037 /nfs/dbraw/zinc/13/20/37/737132037.db2.gz OWLDSEOUWWALAD-ZOBUZTSGSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972629854 737161298 /nfs/dbraw/zinc/16/12/98/737161298.db2.gz DOHPOEXKKDTMET-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972629854 737161300 /nfs/dbraw/zinc/16/13/00/737161300.db2.gz DOHPOEXKKDTMET-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001023674094 737177638 /nfs/dbraw/zinc/17/76/38/737177638.db2.gz KQKORSVIKOZXQA-CVEARBPZSA-N 1 1 345.447 0.780 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972638876 737201046 /nfs/dbraw/zinc/20/10/46/737201046.db2.gz OIDHSAAHQIAIAU-BEFAXECRSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972638876 737201048 /nfs/dbraw/zinc/20/10/48/737201048.db2.gz OIDHSAAHQIAIAU-BEFAXECRSA-N 1 1 342.443 0.841 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)nc1 ZINC001023709543 737228140 /nfs/dbraw/zinc/22/81/40/737228140.db2.gz VVILAXAFXJWHIQ-ZBFHGGJFSA-N 1 1 326.400 0.393 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001023725943 737246933 /nfs/dbraw/zinc/24/69/33/737246933.db2.gz UIRHEITWLQRWFH-LBPRGKRZSA-N 1 1 325.372 0.805 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001023758298 737313239 /nfs/dbraw/zinc/31/32/39/737313239.db2.gz UZDIJUYCHPZDCV-GJZGRUSLSA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001023758298 737313243 /nfs/dbraw/zinc/31/32/43/737313243.db2.gz UZDIJUYCHPZDCV-GJZGRUSLSA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000972670370 737322185 /nfs/dbraw/zinc/32/21/85/737322185.db2.gz JOZVILRBNMYKGN-LLVKDONJSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000972670370 737322189 /nfs/dbraw/zinc/32/21/89/737322189.db2.gz JOZVILRBNMYKGN-LLVKDONJSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972676823 737356011 /nfs/dbraw/zinc/35/60/11/737356011.db2.gz MIVOXFRBFXTXOH-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972676823 737356017 /nfs/dbraw/zinc/35/60/17/737356017.db2.gz MIVOXFRBFXTXOH-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC000972695260 737404760 /nfs/dbraw/zinc/40/47/60/737404760.db2.gz RPTBGMXJLFXMRS-SFHVURJKSA-N 1 1 348.447 0.607 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)C1 ZINC000972704037 737495747 /nfs/dbraw/zinc/49/57/47/737495747.db2.gz YCDNZEHHYGWFHI-YJBOKZPZSA-N 1 1 330.432 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)C1 ZINC000972704037 737495750 /nfs/dbraw/zinc/49/57/50/737495750.db2.gz YCDNZEHHYGWFHI-YJBOKZPZSA-N 1 1 330.432 0.850 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069992479 790286953 /nfs/dbraw/zinc/28/69/53/790286953.db2.gz CLBMKTUOBVOZHI-CABCVRRESA-N 1 1 343.435 0.860 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069992479 790286958 /nfs/dbraw/zinc/28/69/58/790286958.db2.gz CLBMKTUOBVOZHI-CABCVRRESA-N 1 1 343.435 0.860 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001069993949 790289202 /nfs/dbraw/zinc/28/92/02/790289202.db2.gz WVCVRCNDLIJZOV-ZNMIVQPWSA-N 1 1 346.435 0.207 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)COC[C@@H]2CCCO2)CC1 ZINC001098583959 737628464 /nfs/dbraw/zinc/62/84/64/737628464.db2.gz HABPBFJKSWSFAV-KRWDZBQOSA-N 1 1 338.448 0.491 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2c(OC)ncnc2OC)CC1 ZINC001098584074 737662958 /nfs/dbraw/zinc/66/29/58/737662958.db2.gz LENHLGVBPULDFA-UHFFFAOYSA-N 1 1 348.403 0.026 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)cc1 ZINC001024089277 737689691 /nfs/dbraw/zinc/68/96/91/737689691.db2.gz PWUKQTZHKYEMLL-HNNXBMFYSA-N 1 1 338.415 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CCC3)C[C@H]21 ZINC000972834914 737759151 /nfs/dbraw/zinc/75/91/51/737759151.db2.gz IOVSEACOCZWDIX-IXDOHACOSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CCC3)C[C@H]21 ZINC000972834914 737759152 /nfs/dbraw/zinc/75/91/52/737759152.db2.gz IOVSEACOCZWDIX-IXDOHACOSA-N 1 1 329.444 0.943 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccon3)C(C)(C)C2)C1=O ZINC000972836869 737759922 /nfs/dbraw/zinc/75/99/22/737759922.db2.gz IWFOBJYYWRTSEV-UONOGXRCSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccon3)C(C)(C)C2)C1=O ZINC000972836869 737759926 /nfs/dbraw/zinc/75/99/26/737759926.db2.gz IWFOBJYYWRTSEV-UONOGXRCSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3ccon3)C(C)(C)C2)C1=O ZINC000972836868 737760243 /nfs/dbraw/zinc/76/02/43/737760243.db2.gz IWFOBJYYWRTSEV-KGLIPLIRSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3ccon3)C(C)(C)C2)C1=O ZINC000972836868 737760246 /nfs/dbraw/zinc/76/02/46/737760246.db2.gz IWFOBJYYWRTSEV-KGLIPLIRSA-N 1 1 332.404 0.902 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(OCC(N)=O)c1 ZINC001024466692 737997728 /nfs/dbraw/zinc/99/77/28/737997728.db2.gz KNHRXVLNJDRCKF-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CCN([C@@H](C)C(=O)NC)CC2)CC1 ZINC001006445547 751391280 /nfs/dbraw/zinc/39/12/80/751391280.db2.gz JGTZBSOAXQUUOG-HNNXBMFYSA-N 1 1 348.491 0.389 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 ZINC001098586948 738059115 /nfs/dbraw/zinc/05/91/15/738059115.db2.gz QQUKLVRZQIQRBS-INIZCTEOSA-N 1 1 339.480 0.569 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 ZINC001098587181 738079617 /nfs/dbraw/zinc/07/96/17/738079617.db2.gz WBACHFDNLKDMBY-INIZCTEOSA-N 1 1 339.480 0.569 20 30 ECEDMO CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560679 738107341 /nfs/dbraw/zinc/10/73/41/738107341.db2.gz HXLMCRKDGFNCFY-DHADLLTHSA-N 1 1 331.460 0.844 20 30 ECEDMO CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560679 738107344 /nfs/dbraw/zinc/10/73/44/738107344.db2.gz HXLMCRKDGFNCFY-DHADLLTHSA-N 1 1 331.460 0.844 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087287738 738118012 /nfs/dbraw/zinc/11/80/12/738118012.db2.gz MDMHOAYTRVVGSE-RDBSUJKOSA-N 1 1 326.462 0.822 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087287738 738118013 /nfs/dbraw/zinc/11/80/13/738118013.db2.gz MDMHOAYTRVVGSE-RDBSUJKOSA-N 1 1 326.462 0.822 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001024575774 738122442 /nfs/dbraw/zinc/12/24/42/738122442.db2.gz NKXACCHEGMKJBQ-CABCVRRESA-N 1 1 343.418 0.946 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCOCC3=O)C(C)(C)[C@@H]21 ZINC001087289852 738126967 /nfs/dbraw/zinc/12/69/67/738126967.db2.gz SUKUOVNGPXXGJH-KBRIMQKVSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc(C(N)=O)cn3C)C(C)(C)[C@H]21 ZINC001087295544 738142343 /nfs/dbraw/zinc/14/23/43/738142343.db2.gz KXALRBWRZQTZAT-BMFZPTHFSA-N 1 1 342.443 0.976 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001024667060 738208125 /nfs/dbraw/zinc/20/81/25/738208125.db2.gz CMCHVCZWEVIUNA-CQSZACIVSA-N 1 1 330.432 0.959 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001024666584 738208301 /nfs/dbraw/zinc/20/83/01/738208301.db2.gz QRUHYSMUMFALAL-LSDHHAIUSA-N 1 1 330.436 0.620 20 30 ECEDMO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001024690436 738222144 /nfs/dbraw/zinc/22/21/44/738222144.db2.gz VNZBYPMUBZQLAF-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001024690436 738222147 /nfs/dbraw/zinc/22/21/47/738222147.db2.gz VNZBYPMUBZQLAF-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001024704160 738231302 /nfs/dbraw/zinc/23/13/02/738231302.db2.gz HSMFFJITVHTBEK-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4n[nH]nc4c3)[C@H]2C1 ZINC001083271614 738249495 /nfs/dbraw/zinc/24/94/95/738249495.db2.gz SDAJKKLNCBCJKW-JKSUJKDBSA-N 1 1 325.372 0.506 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C(C)(C)[C@H]21 ZINC001087313201 738252851 /nfs/dbraw/zinc/25/28/51/738252851.db2.gz QQMSMWDIDZGOIA-WQVCFCJDSA-N 1 1 348.447 0.672 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@@H]21 ZINC001087317165 738282906 /nfs/dbraw/zinc/28/29/06/738282906.db2.gz DPJKXKHVBCPHFX-DAXOMENPSA-N 1 1 348.447 0.720 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1C(=O)CCC1=O ZINC001087318117 738289277 /nfs/dbraw/zinc/28/92/77/738289277.db2.gz RDEPAVQZRCJBJF-OAUYIBNBSA-N 1 1 333.432 0.927 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](n2ccnn2)C1 ZINC001070000651 790296911 /nfs/dbraw/zinc/29/69/11/790296911.db2.gz FOXOKDHBAHLURZ-CABCVRRESA-N 1 1 343.435 0.942 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)[C@H]2C1 ZINC001083273371 738369051 /nfs/dbraw/zinc/36/90/51/738369051.db2.gz ODEWMYJYWXDPCJ-LSDHHAIUSA-N 1 1 332.404 0.439 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)[C@H]2C1 ZINC001083273371 738369055 /nfs/dbraw/zinc/36/90/55/738369055.db2.gz ODEWMYJYWXDPCJ-LSDHHAIUSA-N 1 1 332.404 0.439 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)[C@H]2C1 ZINC001083273576 738369766 /nfs/dbraw/zinc/36/97/66/738369766.db2.gz ZRYPIDOXSYRMSP-JKSUJKDBSA-N 1 1 346.431 0.829 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001025247866 738924436 /nfs/dbraw/zinc/92/44/36/738924436.db2.gz RIOGUJVJZQLQJH-LSDHHAIUSA-N 1 1 344.415 0.428 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC000973285350 739048168 /nfs/dbraw/zinc/04/81/68/739048168.db2.gz QBBWQGDDRQBNFQ-XUXIUFHCSA-N 1 1 346.435 0.039 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cnn(CC)c3)C2)nn1 ZINC001105359364 751415130 /nfs/dbraw/zinc/41/51/30/751415130.db2.gz DZGAGYMEMQMMJT-UHFFFAOYSA-N 1 1 329.408 0.396 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCN(CC)C2=O)nn1 ZINC001028187088 751418528 /nfs/dbraw/zinc/41/85/28/751418528.db2.gz BQXYASCFFLPHOX-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCN(CC)C2=O)nn1 ZINC001028187088 751418533 /nfs/dbraw/zinc/41/85/33/751418533.db2.gz BQXYASCFFLPHOX-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)c3nonc3C)CC2)C1=O ZINC001006474625 751427128 /nfs/dbraw/zinc/42/71/28/751427128.db2.gz ICXXGHQKTBRLEW-CQSZACIVSA-N 1 1 347.419 0.701 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000988017085 751460039 /nfs/dbraw/zinc/46/00/39/751460039.db2.gz UTGIDCSMCVQUBK-ZFWWWQNUSA-N 1 1 343.431 0.759 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)nc1 ZINC001006513833 751471198 /nfs/dbraw/zinc/47/11/98/751471198.db2.gz ACTWKJNQLUYLCN-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001025545218 739706681 /nfs/dbraw/zinc/70/66/81/739706681.db2.gz IVZGIXCBYRRMOA-ZFWWWQNUSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001025545218 739706682 /nfs/dbraw/zinc/70/66/82/739706682.db2.gz IVZGIXCBYRRMOA-ZFWWWQNUSA-N 1 1 326.462 0.661 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025618028 739780017 /nfs/dbraw/zinc/78/00/17/739780017.db2.gz HYIPULOLKHPQME-STQMWFEESA-N 1 1 334.420 0.892 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001025686932 739863010 /nfs/dbraw/zinc/86/30/10/739863010.db2.gz KEWKZNOBUDNRSA-DJIMGWMZSA-N 1 1 349.475 0.763 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)n2cccc2)C1=O ZINC001025739762 739909242 /nfs/dbraw/zinc/90/92/42/739909242.db2.gz PMCISAGKJLEEGR-FIDHJVLJSA-N 1 1 342.443 0.882 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(C)c(=O)n3C)[C@H]2C1 ZINC001083285912 739956969 /nfs/dbraw/zinc/95/69/69/739956969.db2.gz KHRZDJYSSWFQFD-DZGCQCFKSA-N 1 1 334.420 0.215 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)C3CCOCC3)C2)C1=O ZINC001006540597 751496615 /nfs/dbraw/zinc/49/66/15/751496615.db2.gz BLYMVCHQGQSGST-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)C3CCOCC3)C2)C1=O ZINC001006540597 751496621 /nfs/dbraw/zinc/49/66/21/751496621.db2.gz BLYMVCHQGQSGST-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H](NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CN(C(=O)C#CC2CC2)C1 ZINC001006544584 751499966 /nfs/dbraw/zinc/49/99/66/751499966.db2.gz OMJBQVKEQVUPAZ-KUHUBIRLSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001068463650 790319757 /nfs/dbraw/zinc/31/97/57/790319757.db2.gz KCLWUHWCIHPHPQ-CVEARBPZSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)[C@H]2CCCO2)C1 ZINC000988086231 751515627 /nfs/dbraw/zinc/51/56/27/751515627.db2.gz HVEBNNABLWGOMX-YESZJQIVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)[C@H]2CCCO2)C1 ZINC000988086231 751515628 /nfs/dbraw/zinc/51/56/28/751515628.db2.gz HVEBNNABLWGOMX-YESZJQIVSA-N 1 1 347.459 0.570 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@@H]2C(N)=O)c1 ZINC001025937108 740264753 /nfs/dbraw/zinc/26/47/53/740264753.db2.gz HDWNIAVCQNTHAA-SMLCLMEVSA-N 1 1 338.411 0.616 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001026054531 740341185 /nfs/dbraw/zinc/34/11/85/740341185.db2.gz DSODJARKHUQPOG-JHMPBIJASA-N 1 1 347.459 0.633 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC4CC(OCC)C4)C[C@H]32)nn1 ZINC001026094206 740369965 /nfs/dbraw/zinc/36/99/65/740369965.db2.gz USHLWGQHRDXLAM-GQWUXDJYSA-N 1 1 345.447 0.939 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000973956631 740658906 /nfs/dbraw/zinc/65/89/06/740658906.db2.gz AHWGYYNWFVJDNM-XHSDSOJGSA-N 1 1 326.400 0.534 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1nccc(OC)n1 ZINC001104861435 740747016 /nfs/dbraw/zinc/74/70/16/740747016.db2.gz NOZRPKYIBKLEQN-KGLIPLIRSA-N 1 1 331.420 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1nccc(OC)n1 ZINC001104861435 740747017 /nfs/dbraw/zinc/74/70/17/740747017.db2.gz NOZRPKYIBKLEQN-KGLIPLIRSA-N 1 1 331.420 0.842 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000974039751 740822834 /nfs/dbraw/zinc/82/28/34/740822834.db2.gz BOGWRCLFJGFRMK-BNOWGMLFSA-N 1 1 329.404 0.605 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC000982105187 751591681 /nfs/dbraw/zinc/59/16/81/751591681.db2.gz WINVZNSBBHLFDI-UHFFFAOYSA-N 1 1 348.447 0.819 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+]([C@H]2CCNC2=O)C3)nc1 ZINC000982122961 751617678 /nfs/dbraw/zinc/61/76/78/751617678.db2.gz XGVVJZRCBIRVRV-INIZCTEOSA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@H]2CCNC2=O)C3)nc1 ZINC000982122961 751617679 /nfs/dbraw/zinc/61/76/79/751617679.db2.gz XGVVJZRCBIRVRV-INIZCTEOSA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000974294627 741262236 /nfs/dbraw/zinc/26/22/36/741262236.db2.gz SSJYDHRWCNECEO-BBWFWOEESA-N 1 1 340.427 0.924 20 30 ECEDMO C/C=C(/C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112077985 741306153 /nfs/dbraw/zinc/30/61/53/741306153.db2.gz PATOLYRFNLOBAC-GIGCTMKZSA-N 1 1 332.326 0.571 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1C(F)(F)F ZINC001112079638 741337677 /nfs/dbraw/zinc/33/76/77/741337677.db2.gz RKIHXEFXQPNARB-BLDJZWNYSA-N 1 1 344.337 0.571 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC000982130678 751629494 /nfs/dbraw/zinc/62/94/94/751629494.db2.gz YYUJNZQTSHLYOW-HNNXBMFYSA-N 1 1 339.461 0.016 20 30 ECEDMO COC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001105215441 741486555 /nfs/dbraw/zinc/48/65/55/741486555.db2.gz BKKUNNPHCYSLLL-NSHDSACASA-N 1 1 343.391 0.299 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC3(F)F)C2)nn1 ZINC001105235837 741528387 /nfs/dbraw/zinc/52/83/87/741528387.db2.gz VRZLXUVYFFJESD-CYBMUJFWSA-N 1 1 341.362 0.609 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC000982148347 751646490 /nfs/dbraw/zinc/64/64/90/751646490.db2.gz FGWFICUXUHESEP-UHFFFAOYSA-N 1 1 330.388 0.047 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243572 741542693 /nfs/dbraw/zinc/54/26/93/741542693.db2.gz DLSBYRUVBACUKK-DLBZAZTESA-N 1 1 344.463 0.505 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243572 741542699 /nfs/dbraw/zinc/54/26/99/741542699.db2.gz DLSBYRUVBACUKK-DLBZAZTESA-N 1 1 344.463 0.505 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)NC(=O)CC)C2)nn1 ZINC001105247286 741547946 /nfs/dbraw/zinc/54/79/46/741547946.db2.gz XTPHOSGOQGAYKP-GFCCVEGCSA-N 1 1 334.424 0.242 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256649 741571593 /nfs/dbraw/zinc/57/15/93/741571593.db2.gz LZDCAYCFMLTHTC-MRXNPFEDSA-N 1 1 332.452 0.811 20 30 ECEDMO C#CCC1(C(=O)N2CC(n3cc(C[NH2+]C[C@H](C)OC)nn3)C2)CCC1 ZINC001105259841 741586712 /nfs/dbraw/zinc/58/67/12/741586712.db2.gz OGCYTYIGGJILHR-AWEZNQCLSA-N 1 1 345.447 0.980 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4n3CCC4)C2)nn1 ZINC001105262065 741588015 /nfs/dbraw/zinc/58/80/15/741588015.db2.gz DLAWPLBIFDNUTJ-UHFFFAOYSA-N 1 1 327.392 0.394 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268518 741611414 /nfs/dbraw/zinc/61/14/14/741611414.db2.gz QTZIXFSMAZPBMM-INIZCTEOSA-N 1 1 332.452 0.811 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OC)[C@H]3CCOC3)C2)nn1 ZINC001105292374 741656134 /nfs/dbraw/zinc/65/61/34/741656134.db2.gz MIGRKIHXMLSUFF-BBRMVZONSA-N 1 1 349.435 0.379 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(n3cc(C[NH2+]CCOC)nn3)C2)cc1 ZINC001105294983 741666890 /nfs/dbraw/zinc/66/68/90/741666890.db2.gz SEORSDNKBKOFIE-UHFFFAOYSA-N 1 1 339.399 0.693 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001006681776 751663873 /nfs/dbraw/zinc/66/38/73/751663873.db2.gz SPMPRQLVPPEGHE-JSGCOSHPSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001006681776 751663878 /nfs/dbraw/zinc/66/38/78/751663878.db2.gz SPMPRQLVPPEGHE-JSGCOSHPSA-N 1 1 345.403 0.163 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)c(=O)[nH]3)C2)nn1 ZINC001105317097 741751367 /nfs/dbraw/zinc/75/13/67/741751367.db2.gz IJYZLPTYLUNNLS-UHFFFAOYSA-N 1 1 331.380 0.080 20 30 ECEDMO CC1(C)C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470534 741775282 /nfs/dbraw/zinc/77/52/82/741775282.db2.gz AUGCWCJVWPEOKJ-QWHCGFSZSA-N 1 1 343.387 0.132 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470534 741775290 /nfs/dbraw/zinc/77/52/90/741775290.db2.gz AUGCWCJVWPEOKJ-QWHCGFSZSA-N 1 1 343.387 0.132 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974473203 741779083 /nfs/dbraw/zinc/77/90/83/741779083.db2.gz SKSYDXCHBVHJLY-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCc4nc[nH]c43)C2)nn1 ZINC001105325740 741796666 /nfs/dbraw/zinc/79/66/66/741796666.db2.gz ZJNUVELXXAEQLG-CQSZACIVSA-N 1 1 341.419 0.780 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974534898 741878254 /nfs/dbraw/zinc/87/82/54/741878254.db2.gz BWWYFTPNQYXGPO-CABCVRRESA-N 1 1 342.399 0.993 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974578621 741910965 /nfs/dbraw/zinc/91/09/65/741910965.db2.gz RBKFPMMDMRPCRJ-GXTWGEPZSA-N 1 1 329.404 0.222 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@]3(C)CN(C(=O)COC)C[C@@]3(C)C2)C1=O ZINC000982181364 751679834 /nfs/dbraw/zinc/67/98/34/751679834.db2.gz MQRKZVOCHOJQSY-OLMNPRSZSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C)[nH]c3=O)C2)nn1 ZINC001105335365 742134890 /nfs/dbraw/zinc/13/48/90/742134890.db2.gz YDAIQFDZKFYXDN-UHFFFAOYSA-N 1 1 328.376 0.660 20 30 ECEDMO C#CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822445 742217993 /nfs/dbraw/zinc/21/79/93/742217993.db2.gz BEDVOELXCIGFPA-BHEGOAEISA-N 1 1 331.460 0.700 20 30 ECEDMO C#CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822445 742217995 /nfs/dbraw/zinc/21/79/95/742217995.db2.gz BEDVOELXCIGFPA-BHEGOAEISA-N 1 1 331.460 0.700 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974999519 742428069 /nfs/dbraw/zinc/42/80/69/742428069.db2.gz WODZQRDBIDCOSE-LSDHHAIUSA-N 1 1 341.415 0.566 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974999519 742428071 /nfs/dbraw/zinc/42/80/71/742428071.db2.gz WODZQRDBIDCOSE-LSDHHAIUSA-N 1 1 341.415 0.566 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C(N)=O)C(C)(C)C2)cc1C#N ZINC000974980251 742429914 /nfs/dbraw/zinc/42/99/14/742429914.db2.gz CYFLEVNQEFRJSE-CQSZACIVSA-N 1 1 330.388 0.379 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)C(N)=O)C(C)(C)C2)cc1C#N ZINC000974980251 742429918 /nfs/dbraw/zinc/42/99/18/742429918.db2.gz CYFLEVNQEFRJSE-CQSZACIVSA-N 1 1 330.388 0.379 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3n[nH]cc3F)C(C)(C)C2)C1=O ZINC000975013303 742447070 /nfs/dbraw/zinc/44/70/70/742447070.db2.gz GNWNBNJDMAKCBZ-STQMWFEESA-N 1 1 349.410 0.776 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3n[nH]cc3F)C(C)(C)C2)C1=O ZINC000975013303 742447074 /nfs/dbraw/zinc/44/70/74/742447074.db2.gz GNWNBNJDMAKCBZ-STQMWFEESA-N 1 1 349.410 0.776 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C(C)(C)C1 ZINC000975074967 742479958 /nfs/dbraw/zinc/47/99/58/742479958.db2.gz VLGUZDBIXNAHNN-CQSZACIVSA-N 1 1 330.432 0.814 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000975107430 742489507 /nfs/dbraw/zinc/48/95/07/742489507.db2.gz ALZCGWMVABUTSP-ZIAGYGMSSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000975107430 742489512 /nfs/dbraw/zinc/48/95/12/742489512.db2.gz ALZCGWMVABUTSP-ZIAGYGMSSA-N 1 1 326.462 0.661 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000975198743 742591983 /nfs/dbraw/zinc/59/19/83/742591983.db2.gz ZLQGQDGZILVLAL-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000975185932 742598516 /nfs/dbraw/zinc/59/85/16/742598516.db2.gz NJMRUAXGFHTWAJ-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000975228002 742622863 /nfs/dbraw/zinc/62/28/63/742622863.db2.gz ZBQLNOYIMYWUFL-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1c(Cl)cccc1OC ZINC001125982301 742683103 /nfs/dbraw/zinc/68/31/03/742683103.db2.gz VZIOCXJAHSJLKH-UHFFFAOYSA-N 1 1 337.807 0.694 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975312328 742724424 /nfs/dbraw/zinc/72/44/24/742724424.db2.gz IESGUJYSCPTDJD-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975312328 742724429 /nfs/dbraw/zinc/72/44/29/742724429.db2.gz IESGUJYSCPTDJD-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO N#Cc1ccc(N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)nc1 ZINC001058926934 751767195 /nfs/dbraw/zinc/76/71/95/751767195.db2.gz TTWILEFYESPEIR-HNNXBMFYSA-N 1 1 329.404 0.688 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001028926527 742870867 /nfs/dbraw/zinc/87/08/67/742870867.db2.gz OJMMTRKUKBHJMH-NSHDSACASA-N 1 1 336.392 0.914 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001028935386 742913922 /nfs/dbraw/zinc/91/39/22/742913922.db2.gz BPPADJNJDIEBAC-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC001028935482 742915432 /nfs/dbraw/zinc/91/54/32/742915432.db2.gz DQXMMWUJUDHAKA-BBRMVZONSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001028937016 742921956 /nfs/dbraw/zinc/92/19/56/742921956.db2.gz LMLVMTJRDMMULS-ZFWWWQNUSA-N 1 1 344.415 0.409 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001028937522 742925266 /nfs/dbraw/zinc/92/52/66/742925266.db2.gz QFOTZJMUJKVAMA-GFCCVEGCSA-N 1 1 325.368 0.645 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)nc1 ZINC001028939467 742929432 /nfs/dbraw/zinc/92/94/32/742929432.db2.gz OJTXGXMMQOHCBY-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1 ZINC000982255503 751776380 /nfs/dbraw/zinc/77/63/80/751776380.db2.gz ADQVQUWEKVSZJK-CALCHBBNSA-N 1 1 329.404 0.416 20 30 ECEDMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC#N)cc2)CC1 ZINC000427886660 742981628 /nfs/dbraw/zinc/98/16/28/742981628.db2.gz MVFOPKXPJXWDMB-UHFFFAOYSA-N 1 1 343.387 0.043 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001028961239 742997351 /nfs/dbraw/zinc/99/73/51/742997351.db2.gz SSWOZRPVTTYJIJ-HIFRSBDPSA-N 1 1 345.447 0.811 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001028969449 743022550 /nfs/dbraw/zinc/02/25/50/743022550.db2.gz NWRBQJIOSYAKMG-DZGCQCFKSA-N 1 1 344.415 0.626 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001028977133 743042613 /nfs/dbraw/zinc/04/26/13/743042613.db2.gz UVJNZEJBXYYMAB-HNNXBMFYSA-N 1 1 328.416 0.930 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001028994074 743119238 /nfs/dbraw/zinc/11/92/38/743119238.db2.gz MIEOKLRVVRDTFI-ZIAGYGMSSA-N 1 1 329.828 0.424 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001028994074 743119242 /nfs/dbraw/zinc/11/92/42/743119242.db2.gz MIEOKLRVVRDTFI-ZIAGYGMSSA-N 1 1 329.828 0.424 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(CC(=O)NC3CC3)C2)CC1 ZINC001029001642 743153858 /nfs/dbraw/zinc/15/38/58/743153858.db2.gz AZHPPGUYVHIKKS-OAHLLOKOSA-N 1 1 346.475 0.048 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cn(CC)nn2)C1=O ZINC001028231967 751802082 /nfs/dbraw/zinc/80/20/82/751802082.db2.gz ZSEJDXPVQCVBJD-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cn(CC)nn2)C1=O ZINC001028231967 751802093 /nfs/dbraw/zinc/80/20/93/751802093.db2.gz ZSEJDXPVQCVBJD-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC([NH2+]Cc3nc(C)no3)CC2)nn1 ZINC000997082092 743208769 /nfs/dbraw/zinc/20/87/69/743208769.db2.gz BRCLATKKTUESRX-UHFFFAOYSA-N 1 1 345.407 0.940 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC000975697218 743230397 /nfs/dbraw/zinc/23/03/97/743230397.db2.gz GEDQKHQGCRKUPT-ULQDDVLXSA-N 1 1 329.444 0.943 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000997101845 743237280 /nfs/dbraw/zinc/23/72/80/743237280.db2.gz LIMIJRDXDUESIB-BLLLJJGKSA-N 1 1 326.400 0.201 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CNCc3cnon3)C2)CC1 ZINC001027234519 743247146 /nfs/dbraw/zinc/24/71/46/743247146.db2.gz YKRKSVXUDAIXLZ-AWEZNQCLSA-N 1 1 331.420 0.353 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](CNCc3cnon3)C2)CC1 ZINC001027234520 743247327 /nfs/dbraw/zinc/24/73/27/743247327.db2.gz YKRKSVXUDAIXLZ-CQSZACIVSA-N 1 1 331.420 0.353 20 30 ECEDMO CC[N@H+]1CC[C@@H](CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261984133 743265954 /nfs/dbraw/zinc/26/59/54/743265954.db2.gz POWHJWWGRLPMGT-ZDUSSCGKSA-N 1 1 330.498 0.413 20 30 ECEDMO CCN1CC[C@@H](CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261984133 743265962 /nfs/dbraw/zinc/26/59/62/743265962.db2.gz POWHJWWGRLPMGT-ZDUSSCGKSA-N 1 1 330.498 0.413 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001114945798 743282967 /nfs/dbraw/zinc/28/29/67/743282967.db2.gz VKTNXYLSBCOMDC-UOIKSKOESA-N 1 1 344.390 0.722 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001114945798 743282974 /nfs/dbraw/zinc/28/29/74/743282974.db2.gz VKTNXYLSBCOMDC-UOIKSKOESA-N 1 1 344.390 0.722 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3[nH]cnc3C)C2)C1=O ZINC001029026140 743319496 /nfs/dbraw/zinc/31/94/96/743319496.db2.gz OGXWJWQJBJRDCL-KGLIPLIRSA-N 1 1 331.420 0.557 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NCCC)C[C@H]32)nn1 ZINC001114939887 743402937 /nfs/dbraw/zinc/40/29/37/743402937.db2.gz RDNMFXKYMZXZBW-CXTNEJHOSA-N 1 1 346.435 0.039 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(=O)NCCC)C[C@H]32)nn1 ZINC001114939887 743402942 /nfs/dbraw/zinc/40/29/42/743402942.db2.gz RDNMFXKYMZXZBW-CXTNEJHOSA-N 1 1 346.435 0.039 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnccn3)C2)C1=O ZINC001027280620 743424918 /nfs/dbraw/zinc/42/49/18/743424918.db2.gz ZGONHLYJNRHDQK-HOCLYGCPSA-N 1 1 343.431 0.800 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3nnc(C)[nH]3)[C@H]2C)C1=O ZINC001088560465 751830419 /nfs/dbraw/zinc/83/04/19/751830419.db2.gz RLCRFADWBWVHRT-KWCYVHTRSA-N 1 1 346.435 0.022 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCO1 ZINC000976201743 743679696 /nfs/dbraw/zinc/67/96/96/743679696.db2.gz YGYXIUYKNVLFGU-LFRCEIEQSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCO1 ZINC000976201743 743679702 /nfs/dbraw/zinc/67/97/02/743679702.db2.gz YGYXIUYKNVLFGU-LFRCEIEQSA-N 1 1 345.443 0.226 20 30 ECEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001114945967 743701466 /nfs/dbraw/zinc/70/14/66/743701466.db2.gz YVIMHNUYGHJTBJ-LJISPDSOSA-N 1 1 343.493 0.573 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976323411 743815149 /nfs/dbraw/zinc/81/51/49/743815149.db2.gz MULLBYGDOTXTMM-HSMHQDCBSA-N 1 1 341.415 0.271 20 30 ECEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CC(N)=O)C2)cc1C#N ZINC001027344216 743826973 /nfs/dbraw/zinc/82/69/73/743826973.db2.gz QHWLFAWPUIERDB-OAHLLOKOSA-N 1 1 344.415 0.865 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000976331539 743829163 /nfs/dbraw/zinc/82/91/63/743829163.db2.gz USKRXBGNPDLTHO-HVOFVXBASA-N 1 1 341.415 0.415 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000976360676 743875877 /nfs/dbraw/zinc/87/58/77/743875877.db2.gz DVNBNDGOZNSWDK-HVOFVXBASA-N 1 1 341.415 0.415 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000976407267 743917059 /nfs/dbraw/zinc/91/70/59/743917059.db2.gz GLUMJOJVPDDXPR-LCSDZXHASA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cn(CCOC)nn2)CC1 ZINC000998019900 743932741 /nfs/dbraw/zinc/93/27/41/743932741.db2.gz YBFFPQDNIAGWAE-HNNXBMFYSA-N 1 1 333.436 0.874 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccn(C)n3)[C@H]2C)C1=O ZINC001088561466 751875700 /nfs/dbraw/zinc/87/57/00/751875700.db2.gz SWWQWIICRPDGDK-VNQPRFMTSA-N 1 1 345.447 0.329 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccn(C)n3)[C@H]2C)C1=O ZINC001088561466 751875712 /nfs/dbraw/zinc/87/57/12/751875712.db2.gz SWWQWIICRPDGDK-VNQPRFMTSA-N 1 1 345.447 0.329 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)CC(C)(C)O)C2)C1=O ZINC001027393340 744143796 /nfs/dbraw/zinc/14/37/96/744143796.db2.gz AHOJGQPOPZYJMA-CABCVRRESA-N 1 1 337.464 0.857 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)CC(C)(C)O)C2)C1=O ZINC001027393343 744143933 /nfs/dbraw/zinc/14/39/33/744143933.db2.gz AHOJGQPOPZYJMA-LSDHHAIUSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)C1=O ZINC001027396845 744159205 /nfs/dbraw/zinc/15/92/05/744159205.db2.gz JWXLMONJUCFKRU-HIFRSBDPSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000998481485 744189825 /nfs/dbraw/zinc/18/98/25/744189825.db2.gz KFRWKTWTAJRYGU-YMAMQOFZSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001027410804 744217187 /nfs/dbraw/zinc/21/71/87/744217187.db2.gz ZKLZIOGYBCPLCJ-ZIAGYGMSSA-N 1 1 331.420 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]21 ZINC000976734765 744259335 /nfs/dbraw/zinc/25/93/35/744259335.db2.gz IJFFGNTWZKBJNV-UIBIWLFHSA-N 1 1 340.427 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]21 ZINC000976734765 744259339 /nfs/dbraw/zinc/25/93/39/744259339.db2.gz IJFFGNTWZKBJNV-UIBIWLFHSA-N 1 1 340.427 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3occc3C)C[C@H]21 ZINC000976742514 744278497 /nfs/dbraw/zinc/27/84/97/744278497.db2.gz UDLBFEBYBWYGEV-XUWVNRHRSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3occc3C)C[C@H]21 ZINC000976742514 744278499 /nfs/dbraw/zinc/27/84/99/744278499.db2.gz UDLBFEBYBWYGEV-XUWVNRHRSA-N 1 1 341.411 0.872 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000998750717 744314723 /nfs/dbraw/zinc/31/47/23/744314723.db2.gz FMBCHIOFXOJFRW-QWRGUYRKSA-N 1 1 343.391 0.309 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001059875500 751911678 /nfs/dbraw/zinc/91/16/78/751911678.db2.gz BFIFLLBATRLALK-STQMWFEESA-N 1 1 347.419 0.864 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C ZINC000998963435 744433785 /nfs/dbraw/zinc/43/37/85/744433785.db2.gz XRENORXLZKTPDW-PWSUYJOCSA-N 1 1 328.380 0.365 20 30 ECEDMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C ZINC000998971597 744441700 /nfs/dbraw/zinc/44/17/00/744441700.db2.gz XWNRHPCSUMQGCQ-ZYHUDNBSSA-N 1 1 328.380 0.365 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cccn2)C1 ZINC001027446501 744486361 /nfs/dbraw/zinc/48/63/61/744486361.db2.gz LSTFUDDWYQFHTR-MSOLQXFVSA-N 1 1 343.475 0.904 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2ccn(C)n2)C1 ZINC001027446560 744486784 /nfs/dbraw/zinc/48/67/84/744486784.db2.gz NNHPNYYIKBAFRY-ROUUACIJSA-N 1 1 343.475 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2ccn(C)n2)C1 ZINC001027446560 744486788 /nfs/dbraw/zinc/48/67/88/744486788.db2.gz NNHPNYYIKBAFRY-ROUUACIJSA-N 1 1 343.475 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2nc(C)no2)C1 ZINC001027446646 744487185 /nfs/dbraw/zinc/48/71/85/744487185.db2.gz QDDCBPMFISRLEV-CVEARBPZSA-N 1 1 345.447 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2nc(C)no2)C1 ZINC001027446646 744487189 /nfs/dbraw/zinc/48/71/89/744487189.db2.gz QDDCBPMFISRLEV-CVEARBPZSA-N 1 1 345.447 0.898 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)c1 ZINC000999320368 744625119 /nfs/dbraw/zinc/62/51/19/744625119.db2.gz UCMXNQPXLWMZJM-UHFFFAOYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nonc2C)C1 ZINC000999391205 744671145 /nfs/dbraw/zinc/67/11/45/744671145.db2.gz IXXCDSBDSOTAEA-HOCLYGCPSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nonc2C)C1 ZINC000999391205 744671147 /nfs/dbraw/zinc/67/11/47/744671147.db2.gz IXXCDSBDSOTAEA-HOCLYGCPSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001027476311 744700022 /nfs/dbraw/zinc/70/00/22/744700022.db2.gz JDAPZOPZVSFOQM-INIZCTEOSA-N 1 1 331.416 0.664 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001027484988 744747595 /nfs/dbraw/zinc/74/75/95/744747595.db2.gz NZVSIUZZQAUQTJ-CQSZACIVSA-N 1 1 334.420 0.612 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977304347 744848728 /nfs/dbraw/zinc/84/87/28/744848728.db2.gz PKHNETSEGIDLIW-TZMCWYRMSA-N 1 1 348.451 0.429 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977304347 744848731 /nfs/dbraw/zinc/84/87/31/744848731.db2.gz PKHNETSEGIDLIW-TZMCWYRMSA-N 1 1 348.451 0.429 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cccnn3)C(C)(C)C2)C1=O ZINC000977387560 744908821 /nfs/dbraw/zinc/90/88/21/744908821.db2.gz GVLQAMBTUOUUKQ-LSDHHAIUSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cccnn3)C(C)(C)C2)C1=O ZINC000977387560 744908823 /nfs/dbraw/zinc/90/88/23/744908823.db2.gz GVLQAMBTUOUUKQ-LSDHHAIUSA-N 1 1 343.431 0.704 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977384983 744918972 /nfs/dbraw/zinc/91/89/72/744918972.db2.gz FLHPLZYEHJYPMM-GOEBONIOSA-N 1 1 345.447 0.778 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977384983 744918973 /nfs/dbraw/zinc/91/89/73/744918973.db2.gz FLHPLZYEHJYPMM-GOEBONIOSA-N 1 1 345.447 0.778 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)cn3)nn2)C1 ZINC000999950369 745087132 /nfs/dbraw/zinc/08/71/32/745087132.db2.gz MUGOEXTYXNANBT-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(=O)[nH]n3)nn2)C1 ZINC000999954221 745092993 /nfs/dbraw/zinc/09/29/93/745092993.db2.gz YICZIUXXQKSSQP-CYBMUJFWSA-N 1 1 343.391 0.527 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCOC3)nn2)C1 ZINC000999957627 745098292 /nfs/dbraw/zinc/09/82/92/745098292.db2.gz WFGSWELQLZKAPV-HOCLYGCPSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)n(C)n3)nn2)C1 ZINC000999960080 745101659 /nfs/dbraw/zinc/10/16/59/745101659.db2.gz BLFBERMGHOJSHM-CQSZACIVSA-N 1 1 327.392 0.130 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC000999962804 745105829 /nfs/dbraw/zinc/10/58/29/745105829.db2.gz PWDYJSWIIIRSFJ-ZDUSSCGKSA-N 1 1 347.810 0.997 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC000999962804 745105831 /nfs/dbraw/zinc/10/58/31/745105831.db2.gz PWDYJSWIIIRSFJ-ZDUSSCGKSA-N 1 1 347.810 0.997 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999964186 745108062 /nfs/dbraw/zinc/10/80/62/745108062.db2.gz VWYMLYMIPGCHAU-HZPDHXFCSA-N 1 1 330.436 0.259 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999964186 745108065 /nfs/dbraw/zinc/10/80/65/745108065.db2.gz VWYMLYMIPGCHAU-HZPDHXFCSA-N 1 1 330.436 0.259 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)no3)nn2)C1 ZINC000999969602 745115963 /nfs/dbraw/zinc/11/59/63/745115963.db2.gz XGDCAQDHERCMQY-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)ncn3)nn2)C1 ZINC000999970726 745118399 /nfs/dbraw/zinc/11/83/99/745118399.db2.gz FMAZHHALHFPNON-CQSZACIVSA-N 1 1 325.376 0.187 20 30 ECEDMO COCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 ZINC000999974842 745124212 /nfs/dbraw/zinc/12/42/12/745124212.db2.gz NDPQWQWONOCOMT-CQSZACIVSA-N 1 1 343.391 0.301 20 30 ECEDMO COCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC000999981706 745133382 /nfs/dbraw/zinc/13/33/82/745133382.db2.gz WCMHADXRVDBYQJ-AWEZNQCLSA-N 1 1 343.391 0.301 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnnc(C)c3)nn2)C1 ZINC000999984269 745136647 /nfs/dbraw/zinc/13/66/47/745136647.db2.gz KMPPVKJVQQMTBP-HNNXBMFYSA-N 1 1 327.392 0.739 20 30 ECEDMO C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]nn2)C12CCC2 ZINC001203418335 745139187 /nfs/dbraw/zinc/13/91/87/745139187.db2.gz GHKJAFLERZUBMF-GJZGRUSLSA-N 1 1 333.436 0.957 20 30 ECEDMO C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)CCc2cnn[nH]2)C12CCC2 ZINC001203418335 745139188 /nfs/dbraw/zinc/13/91/88/745139188.db2.gz GHKJAFLERZUBMF-GJZGRUSLSA-N 1 1 333.436 0.957 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC(=O)N(C)C3)nn2)C1 ZINC000999988043 745143312 /nfs/dbraw/zinc/14/33/12/745143312.db2.gz SENZWRYNPMUDFF-HIFRSBDPSA-N 1 1 346.435 0.196 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@H](C)C(=O)NC)CC2(C)C)nc1 ZINC000977528864 745148764 /nfs/dbraw/zinc/14/87/64/745148764.db2.gz WADQUXDEKVVWPA-DOMZBBRYSA-N 1 1 328.416 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@H](C)C(=O)NC)CC2(C)C)nc1 ZINC000977528864 745148768 /nfs/dbraw/zinc/14/87/68/745148768.db2.gz WADQUXDEKVVWPA-DOMZBBRYSA-N 1 1 328.416 0.638 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(CC)n3)nn2)C1 ZINC000999992196 745150602 /nfs/dbraw/zinc/15/06/02/745150602.db2.gz PLPVSNAAILVMOU-CQSZACIVSA-N 1 1 344.423 0.642 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC(=O)NC3)nn2)C1 ZINC001000001026 745163170 /nfs/dbraw/zinc/16/31/70/745163170.db2.gz AIDMIWGCOUAWRR-DZGCQCFKSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C)n3C)nn2)C1 ZINC001000007084 745174612 /nfs/dbraw/zinc/17/46/12/745174612.db2.gz ABYSIRQQGGOJBC-AWEZNQCLSA-N 1 1 327.392 0.130 20 30 ECEDMO C=CCOCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH]nn2)C12CCC2 ZINC001203418336 745184712 /nfs/dbraw/zinc/18/47/12/745184712.db2.gz GHKJAFLERZUBMF-HUUCEWRRSA-N 1 1 333.436 0.957 20 30 ECEDMO C=CCOCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2cnn[nH]2)C12CCC2 ZINC001203418336 745184716 /nfs/dbraw/zinc/18/47/16/745184716.db2.gz GHKJAFLERZUBMF-HUUCEWRRSA-N 1 1 333.436 0.957 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C)n3C)nn2)C1 ZINC001000016253 745186964 /nfs/dbraw/zinc/18/69/64/745186964.db2.gz RZVDPUMCNDGSHO-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccc(=O)n3C)nn2)C1 ZINC001000020606 745191219 /nfs/dbraw/zinc/19/12/19/745191219.db2.gz NXUSRNKTIGBVOL-CQSZACIVSA-N 1 1 342.403 0.340 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[C@@H](C)O3)nn2)C1 ZINC001000026285 745197752 /nfs/dbraw/zinc/19/77/52/745197752.db2.gz USXSPPYYSOVEHH-VNQPRFMTSA-N 1 1 331.420 0.732 20 30 ECEDMO CC#CCN1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000033144 745207476 /nfs/dbraw/zinc/20/74/76/745207476.db2.gz BSJWDMKHIVIJJV-INIZCTEOSA-N 1 1 342.447 0.260 20 30 ECEDMO CC#CCN1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000033150 745207783 /nfs/dbraw/zinc/20/77/83/745207783.db2.gz BSJWDMKHIVIJJV-MRXNPFEDSA-N 1 1 342.447 0.260 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@H]3CC[N@H+](CC#CC)C3)nn2)nc1 ZINC001000033764 745208507 /nfs/dbraw/zinc/20/85/07/745208507.db2.gz DRRHIKLLFUHKNX-KRWDZBQOSA-N 1 1 348.410 0.855 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@@H]3CC[N@H+](CC#CC)C3)nn2)cn1 ZINC001000036991 745214367 /nfs/dbraw/zinc/21/43/67/745214367.db2.gz XBGMQERFTDAPRO-GOSISDBHSA-N 1 1 348.410 0.855 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C(C)C)nn3)nn2)C1 ZINC001000038485 745217074 /nfs/dbraw/zinc/21/70/74/745217074.db2.gz WGUAKMAGTULDDC-CQSZACIVSA-N 1 1 344.423 0.813 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C(C)(C)C1 ZINC000977590069 745220120 /nfs/dbraw/zinc/22/01/20/745220120.db2.gz YSABXDOMOASHTR-ZDUSSCGKSA-N 1 1 326.404 0.815 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C(C)(C)C1 ZINC000977590069 745220126 /nfs/dbraw/zinc/22/01/26/745220126.db2.gz YSABXDOMOASHTR-ZDUSSCGKSA-N 1 1 326.404 0.815 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1ccc(C#N)[nH]1 ZINC000977591763 745223314 /nfs/dbraw/zinc/22/33/14/745223314.db2.gz HOBBZYNNDWGYEH-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCN3C(C)=O)nn2)C1 ZINC001000043883 745224548 /nfs/dbraw/zinc/22/45/48/745224548.db2.gz SFERAGIIQHKUIK-HZPDHXFCSA-N 1 1 346.435 0.338 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000977584723 745244493 /nfs/dbraw/zinc/24/44/93/745244493.db2.gz MQMDDHHZCCLODN-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001059229522 745269626 /nfs/dbraw/zinc/26/96/26/745269626.db2.gz AFPGFUWXQNGOIV-JOCQHMNTSA-N 1 1 325.376 0.921 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001059231530 745280011 /nfs/dbraw/zinc/28/00/11/745280011.db2.gz SLEVUWHFFMZXEX-AVGNSLFASA-N 1 1 328.420 0.921 20 30 ECEDMO C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000983785243 745287415 /nfs/dbraw/zinc/28/74/15/745287415.db2.gz NPGQOMPZZPWMCN-PVAVHDDUSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000983785243 745287419 /nfs/dbraw/zinc/28/74/19/745287419.db2.gz NPGQOMPZZPWMCN-PVAVHDDUSA-N 1 1 347.459 0.474 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001059235376 745301272 /nfs/dbraw/zinc/30/12/72/745301272.db2.gz WQWZGSROSDYJNB-BZUAXINKSA-N 1 1 329.404 0.733 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001059235376 745301282 /nfs/dbraw/zinc/30/12/82/745301282.db2.gz WQWZGSROSDYJNB-BZUAXINKSA-N 1 1 329.404 0.733 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001059235424 745302593 /nfs/dbraw/zinc/30/25/93/745302593.db2.gz YIXNUOXUCQLVGY-KKUMJFAQSA-N 1 1 329.404 0.733 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001059235424 745302599 /nfs/dbraw/zinc/30/25/99/745302599.db2.gz YIXNUOXUCQLVGY-KKUMJFAQSA-N 1 1 329.404 0.733 20 30 ECEDMO CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 ZINC001000332558 745433349 /nfs/dbraw/zinc/43/33/49/745433349.db2.gz AZBUWOIMEWWGSK-HNNXBMFYSA-N 1 1 338.473 0.948 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccnnc2)C1 ZINC001006955133 752002687 /nfs/dbraw/zinc/00/26/87/752002687.db2.gz PCBPKRJQHKJHJY-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccnnc2)C1 ZINC001006955133 752002694 /nfs/dbraw/zinc/00/26/94/752002694.db2.gz PCBPKRJQHKJHJY-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)C3CCOCC3)CC2)C1=O ZINC001000369284 745458879 /nfs/dbraw/zinc/45/88/79/745458879.db2.gz FOTHSOZTYHBJCV-KRWDZBQOSA-N 1 1 347.459 0.948 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@]2(C)C1 ZINC000982344925 752006655 /nfs/dbraw/zinc/00/66/55/752006655.db2.gz MMFCOKMTGLPXQY-CALCHBBNSA-N 1 1 332.404 0.305 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nncn3C)C2)nn1 ZINC001000425429 745490369 /nfs/dbraw/zinc/49/03/69/745490369.db2.gz HOSZYKMOCDEJAY-ZDUSSCGKSA-N 1 1 344.423 0.377 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CCC[C@H]1C)c1cncc(C#N)n1 ZINC001126512649 745540284 /nfs/dbraw/zinc/54/02/84/745540284.db2.gz CRGZBTKUNLUXFF-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnns4)[C@@H]3C2)C1=O ZINC000977844627 745555156 /nfs/dbraw/zinc/55/51/56/745555156.db2.gz AJYHVQHXGYHCFA-RVMXOQNASA-N 1 1 347.444 0.233 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4ncnn4)[C@@H]3C2)c1 ZINC001075796974 745590766 /nfs/dbraw/zinc/59/07/66/745590766.db2.gz LSZINCFXOKKTLO-JKSUJKDBSA-N 1 1 337.387 0.278 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC001000599946 745626525 /nfs/dbraw/zinc/62/65/25/745626525.db2.gz JXCPYSSVYBVOTR-INIZCTEOSA-N 1 1 341.415 0.869 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2)c[nH]1 ZINC001000600607 745627229 /nfs/dbraw/zinc/62/72/29/745627229.db2.gz ZFOAYDFWIVSUNW-CQSZACIVSA-N 1 1 341.371 0.053 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)c[nH]1 ZINC001000600607 745627234 /nfs/dbraw/zinc/62/72/34/745627234.db2.gz ZFOAYDFWIVSUNW-CQSZACIVSA-N 1 1 341.371 0.053 20 30 ECEDMO CCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001112159792 745633022 /nfs/dbraw/zinc/63/30/22/745633022.db2.gz AISVYPSGQFUPQA-GHMZBOCLSA-N 1 1 346.353 0.795 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1nc(C)c[nH]1 ZINC000977923003 745653084 /nfs/dbraw/zinc/65/30/84/745653084.db2.gz YVKVACJQCFAWQS-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1nc(C)c[nH]1 ZINC000977923003 745653087 /nfs/dbraw/zinc/65/30/87/745653087.db2.gz YVKVACJQCFAWQS-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1nonc1C ZINC000977938718 745669983 /nfs/dbraw/zinc/66/99/83/745669983.db2.gz YPXKPCNYOHRQEI-KBPBESRZSA-N 1 1 345.403 0.149 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1nonc1C ZINC000977938718 745669986 /nfs/dbraw/zinc/66/99/86/745669986.db2.gz YPXKPCNYOHRQEI-KBPBESRZSA-N 1 1 345.403 0.149 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CCCO1 ZINC000977927220 745681107 /nfs/dbraw/zinc/68/11/07/745681107.db2.gz LIFDIKDCXWOFPG-PMPSAXMXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CCCO1 ZINC000977927220 745681111 /nfs/dbraw/zinc/68/11/11/745681111.db2.gz LIFDIKDCXWOFPG-PMPSAXMXSA-N 1 1 333.432 0.322 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C#N)cn1 ZINC001126522441 745710409 /nfs/dbraw/zinc/71/04/09/745710409.db2.gz CLNKAYNVLLPRRL-ZBFHGGJFSA-N 1 1 345.447 0.720 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCN(C)C2=O)cn1 ZINC001028271128 752027079 /nfs/dbraw/zinc/02/70/79/752027079.db2.gz ZELYYBXSULJJLG-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCN(C)C2=O)cn1 ZINC001028271128 752027088 /nfs/dbraw/zinc/02/70/88/752027088.db2.gz ZELYYBXSULJJLG-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)c1 ZINC000977982500 745745511 /nfs/dbraw/zinc/74/55/11/745745511.db2.gz WWROSQSBVFPSHW-GUIRCDHDSA-N 1 1 327.388 0.073 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnn(C)n1 ZINC001029342516 745759240 /nfs/dbraw/zinc/75/92/40/745759240.db2.gz RXJZDOUGFDAMCQ-BBWFWOEESA-N 1 1 342.447 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnn(C)n1 ZINC001029342516 745759244 /nfs/dbraw/zinc/75/92/44/745759244.db2.gz RXJZDOUGFDAMCQ-BBWFWOEESA-N 1 1 342.447 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2cnnn2C)CC1 ZINC001000791660 745768945 /nfs/dbraw/zinc/76/89/45/745768945.db2.gz RJORISWOPCUUBG-KRWDZBQOSA-N 1 1 342.447 0.161 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2cnnn2C)CC1 ZINC001000791660 745768949 /nfs/dbraw/zinc/76/89/49/745768949.db2.gz RJORISWOPCUUBG-KRWDZBQOSA-N 1 1 342.447 0.161 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982353182 752035027 /nfs/dbraw/zinc/03/50/27/752035027.db2.gz POUULBMCYQAVOI-OIISXLGYSA-N 1 1 338.473 0.615 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001000904916 745884440 /nfs/dbraw/zinc/88/44/40/745884440.db2.gz XPFROBPFAHLVON-UHFFFAOYSA-N 1 1 339.417 0.865 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001000992967 745958329 /nfs/dbraw/zinc/95/83/29/745958329.db2.gz OSXAZERRFOTLNC-WMZOPIPTSA-N 1 1 333.476 0.949 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001000993297 745958724 /nfs/dbraw/zinc/95/87/24/745958724.db2.gz CJVMRMAEMQEQQD-HNNXBMFYSA-N 1 1 327.388 0.137 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC001000996150 745961535 /nfs/dbraw/zinc/96/15/35/745961535.db2.gz UQYYIFSGTNPFDN-UHFFFAOYSA-N 1 1 327.388 0.879 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2COCCN2CC2CCC2)CC1 ZINC001001001114 745965869 /nfs/dbraw/zinc/96/58/69/745965869.db2.gz ICRDEWWPEJCJST-SFHVURJKSA-N 1 1 331.460 0.869 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc[nH]c4)[C@@H]3C2)C1=O ZINC000978180703 745999115 /nfs/dbraw/zinc/99/91/15/745999115.db2.gz LEJKQGUCXJFIPZ-JONQDZQNSA-N 1 1 328.416 0.709 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001007022952 752051714 /nfs/dbraw/zinc/05/17/14/752051714.db2.gz YCMKMWVDJZKTNV-HIFRSBDPSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001007022952 752051720 /nfs/dbraw/zinc/05/17/20/752051720.db2.gz YCMKMWVDJZKTNV-HIFRSBDPSA-N 1 1 344.415 0.768 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000984229925 746096245 /nfs/dbraw/zinc/09/62/45/746096245.db2.gz ZEZPWUILZDQINR-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)[C@@H]1CC ZINC001087607152 746115751 /nfs/dbraw/zinc/11/57/51/746115751.db2.gz NZMONJQUJRJITP-KSZLIROESA-N 1 1 343.475 0.987 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3c3ncccn3)[C@@H]2C1 ZINC000978288130 746129743 /nfs/dbraw/zinc/12/97/43/746129743.db2.gz CNMACJOEWLLFRL-WCXIOVBPSA-N 1 1 339.443 0.763 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]21 ZINC000978277181 746138443 /nfs/dbraw/zinc/13/84/43/746138443.db2.gz AWOWZMLOXCPAHF-FJIDUMEYSA-N 1 1 342.443 0.875 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3ccc(OC)nn32)[C@H]1CC ZINC001087629385 746139171 /nfs/dbraw/zinc/13/91/71/746139171.db2.gz NFFJTOUFEHBRFL-QWHCGFSZSA-N 1 1 327.388 0.954 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000978280435 746142446 /nfs/dbraw/zinc/14/24/46/746142446.db2.gz YIBBZKCJIVIUBJ-AYDFFVQHSA-N 1 1 328.416 0.470 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001059349783 746157288 /nfs/dbraw/zinc/15/72/88/746157288.db2.gz MCLDTKHBXWKEBL-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1CC ZINC001087679757 746179564 /nfs/dbraw/zinc/17/95/64/746179564.db2.gz GNKJWSYGOFTODI-QWHCGFSZSA-N 1 1 344.423 0.853 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001001255240 746213515 /nfs/dbraw/zinc/21/35/15/746213515.db2.gz VYPANWSWDFRZIK-UHFFFAOYSA-N 1 1 332.404 0.299 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001001257102 746215665 /nfs/dbraw/zinc/21/56/65/746215665.db2.gz QGBQQADFSWEUIS-JYJNAYRXSA-N 1 1 333.432 0.604 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001001257102 746215669 /nfs/dbraw/zinc/21/56/69/746215669.db2.gz QGBQQADFSWEUIS-JYJNAYRXSA-N 1 1 333.432 0.604 20 30 ECEDMO Cn1nncc1C[NH+]1CCC(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001001286088 746246658 /nfs/dbraw/zinc/24/66/58/746246658.db2.gz LIRVEDJYPOASNA-UHFFFAOYSA-N 1 1 327.392 0.657 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1CC ZINC001087724014 746246940 /nfs/dbraw/zinc/24/69/40/746246940.db2.gz QWVPKRWHACSVCF-QNWHQSFQSA-N 1 1 329.828 0.741 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1CC ZINC001087724014 746246943 /nfs/dbraw/zinc/24/69/43/746246943.db2.gz QWVPKRWHACSVCF-QNWHQSFQSA-N 1 1 329.828 0.741 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H]1CC ZINC001087747589 746277489 /nfs/dbraw/zinc/27/74/89/746277489.db2.gz KQNASLWGVPYJLN-LSDHHAIUSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H]1CC ZINC001087747589 746277492 /nfs/dbraw/zinc/27/74/92/746277492.db2.gz KQNASLWGVPYJLN-LSDHHAIUSA-N 1 1 326.462 0.804 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001356230 746303437 /nfs/dbraw/zinc/30/34/37/746303437.db2.gz CKPJGUPRMIDTDT-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001357437 746304124 /nfs/dbraw/zinc/30/41/24/746304124.db2.gz OGBRXBYJSXNENH-UHFFFAOYSA-N 1 1 326.360 0.280 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1CC ZINC001087765279 746307198 /nfs/dbraw/zinc/30/71/98/746307198.db2.gz KKVUQQMDYJCVPJ-WDEREUQCSA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1CC ZINC001087765279 746307204 /nfs/dbraw/zinc/30/72/04/746307204.db2.gz KKVUQQMDYJCVPJ-WDEREUQCSA-N 1 1 328.800 0.260 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccncn3)[C@H]2CC)C1=O ZINC001087768221 746307490 /nfs/dbraw/zinc/30/74/90/746307490.db2.gz RBVFRPVPNDKSTM-NUEKZKHPSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnon3)[C@H]2CC)C1=O ZINC001087768477 746308378 /nfs/dbraw/zinc/30/83/78/746308378.db2.gz FCZFSROYIWJPEJ-IACUBPJLSA-N 1 1 333.392 0.439 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnon3)[C@H]2CC)C1=O ZINC001087768477 746308383 /nfs/dbraw/zinc/30/83/83/746308383.db2.gz FCZFSROYIWJPEJ-IACUBPJLSA-N 1 1 333.392 0.439 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC000984349807 746331002 /nfs/dbraw/zinc/33/10/02/746331002.db2.gz JBBABAYVJIKIGO-YESZJQIVSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC000984349807 746331009 /nfs/dbraw/zinc/33/10/09/746331009.db2.gz JBBABAYVJIKIGO-YESZJQIVSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@H]1CC ZINC001087787644 746333151 /nfs/dbraw/zinc/33/31/51/746333151.db2.gz IQYIAVZXUQJTIC-GOEBONIOSA-N 1 1 331.420 0.846 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4nnnn4c3)[C@@H]2C1 ZINC000978497933 746373733 /nfs/dbraw/zinc/37/37/33/746373733.db2.gz OKZOOJDTNALUNQ-QKDCVEJESA-N 1 1 326.404 0.998 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1 ZINC000978546390 746413170 /nfs/dbraw/zinc/41/31/70/746413170.db2.gz LUFNBEHPKBFBJJ-ZSOGYDGISA-N 1 1 339.399 0.262 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001481757 746420762 /nfs/dbraw/zinc/42/07/62/746420762.db2.gz DTUQQKRLZBVSHX-RISCZKNCSA-N 1 1 329.404 0.272 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001482863 746422197 /nfs/dbraw/zinc/42/21/97/746422197.db2.gz QIJWADNFQZUXPS-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC000978559141 746440277 /nfs/dbraw/zinc/44/02/77/746440277.db2.gz MHMQIVRLTSWTBP-IMJJTQAJSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC000978559141 746440283 /nfs/dbraw/zinc/44/02/83/746440283.db2.gz MHMQIVRLTSWTBP-IMJJTQAJSA-N 1 1 343.431 0.142 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)C3(C)CC3)C2)C1=O ZINC001087854425 746507125 /nfs/dbraw/zinc/50/71/25/746507125.db2.gz HFVBQOUYIJEQJH-CVEARBPZSA-N 1 1 349.475 0.859 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001059382404 746508808 /nfs/dbraw/zinc/50/88/08/746508808.db2.gz XKESAVNJLBWPDI-BFYDXBDKSA-N 1 1 343.431 0.543 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001059382404 746508812 /nfs/dbraw/zinc/50/88/12/746508812.db2.gz XKESAVNJLBWPDI-BFYDXBDKSA-N 1 1 343.431 0.543 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCN(CC(F)(F)F)C3)[C@@H]2C1 ZINC000978622138 746516276 /nfs/dbraw/zinc/51/62/76/746516276.db2.gz BSIIDVJGYATWBF-XDQVBPFNSA-N 1 1 329.366 0.798 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001029456502 746590189 /nfs/dbraw/zinc/59/01/89/746590189.db2.gz HSDVFAYUENLTKW-IYOUNJFTSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC001029456502 746590190 /nfs/dbraw/zinc/59/01/90/746590190.db2.gz HSDVFAYUENLTKW-IYOUNJFTSA-N 1 1 348.447 0.816 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccnn4C)C[C@H]32)c1 ZINC000978697616 746593078 /nfs/dbraw/zinc/59/30/78/746593078.db2.gz JKEAFNSAJQPVHP-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)c1 ZINC000978710267 746611141 /nfs/dbraw/zinc/61/11/41/746611141.db2.gz KKFCAWBVHIKWHH-OSYLJGHBSA-N 1 1 336.399 0.262 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)CC[C@@H]3C2)c[nH]1 ZINC001087940230 746693976 /nfs/dbraw/zinc/69/39/76/746693976.db2.gz AWVPAERAOVAEDN-HIFRSBDPSA-N 1 1 341.415 0.513 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000984596268 746705752 /nfs/dbraw/zinc/70/57/52/746705752.db2.gz XPSFRCPRLBDHHA-STQMWFEESA-N 1 1 347.419 0.959 20 30 ECEDMO COCCN(CCNC(=O)C[N@@H+](C)C1CCC1)c1ccnc(C#N)n1 ZINC001126561759 746722286 /nfs/dbraw/zinc/72/22/86/746722286.db2.gz NFKWPBBXYJWRHP-UHFFFAOYSA-N 1 1 346.435 0.402 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)n1 ZINC001059413930 746762900 /nfs/dbraw/zinc/76/29/00/746762900.db2.gz AFAOHWHQKSGQDK-NHULGOKLSA-N 1 1 328.420 0.914 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(CNC(C)=O)o3)[C@@H]2C1 ZINC000978843505 746771000 /nfs/dbraw/zinc/77/10/00/746771000.db2.gz FGROWOBWSZOPER-PHZGNYQRSA-N 1 1 329.400 0.847 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)nn1 ZINC001105340857 746803346 /nfs/dbraw/zinc/80/33/46/746803346.db2.gz SYHNQSOMILRXOO-ZDUSSCGKSA-N 1 1 343.435 0.929 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4n[nH]c(=O)n4c3)[C@@H]2C1 ZINC000978860831 746809079 /nfs/dbraw/zinc/80/90/79/746809079.db2.gz WHVLMBPQGXTEOZ-ZSOGYDGISA-N 1 1 327.388 0.919 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@@H]2C1 ZINC001087985042 746856297 /nfs/dbraw/zinc/85/62/97/746856297.db2.gz AWMSILPXMLWLBN-ZACQAIPSSA-N 1 1 347.459 0.285 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4oncc4C)[C@@H]3C2)C1=O ZINC000978913728 746885251 /nfs/dbraw/zinc/88/52/51/746885251.db2.gz DOSBUHRLINWBMA-APIJFGDWSA-N 1 1 344.415 0.678 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007154711 752134698 /nfs/dbraw/zinc/13/46/98/752134698.db2.gz HAZRCIVRHQFABY-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007154711 752134704 /nfs/dbraw/zinc/13/47/04/752134704.db2.gz HAZRCIVRHQFABY-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@@H]2C1 ZINC001087992282 746951811 /nfs/dbraw/zinc/95/18/11/746951811.db2.gz NLMBNLOYIWOEOF-OWCLPIDISA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@@H]2C1 ZINC001087994280 746958082 /nfs/dbraw/zinc/95/80/82/746958082.db2.gz ZWQGDKYLHAYWLK-SQNIBIBYSA-N 1 1 343.475 0.617 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nc1 ZINC001059445991 746977749 /nfs/dbraw/zinc/97/77/49/746977749.db2.gz HRVTVJWWJDRJLX-KLHDSHLOSA-N 1 1 341.415 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ncccn4)C[C@H]32)nc1 ZINC000978986331 746994857 /nfs/dbraw/zinc/99/48/57/746994857.db2.gz LWAIXWSRURMVAO-PHZGNYQRSA-N 1 1 333.395 0.961 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ncccn4)C[C@H]32)nc1 ZINC000978986331 746994864 /nfs/dbraw/zinc/99/48/64/746994864.db2.gz LWAIXWSRURMVAO-PHZGNYQRSA-N 1 1 333.395 0.961 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)nc1 ZINC000978992795 747005529 /nfs/dbraw/zinc/00/55/29/747005529.db2.gz PVTVEVRJODSGSY-QKDCVEJESA-N 1 1 347.440 0.015 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)nc1 ZINC000978992795 747005534 /nfs/dbraw/zinc/00/55/34/747005534.db2.gz PVTVEVRJODSGSY-QKDCVEJESA-N 1 1 347.440 0.015 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 ZINC001088017939 747071112 /nfs/dbraw/zinc/07/11/12/747071112.db2.gz ZQZHSGSLKGTPJI-CVEARBPZSA-N 1 1 334.464 0.117 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc(C)ncc2C#N)C1 ZINC001059455768 747071898 /nfs/dbraw/zinc/07/18/98/747071898.db2.gz BYFDGPSDSMIRJG-BQFCYCMXSA-N 1 1 337.427 0.840 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc(C)ncc2C#N)C1 ZINC001059455768 747071905 /nfs/dbraw/zinc/07/19/05/747071905.db2.gz BYFDGPSDSMIRJG-BQFCYCMXSA-N 1 1 337.427 0.840 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[C@@H]2C1 ZINC000979079193 747131511 /nfs/dbraw/zinc/13/15/11/747131511.db2.gz CGDJWHFMNXUUAP-DZUCGIPZSA-N 1 1 329.444 0.705 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@@H]2C1 ZINC001088053662 747160487 /nfs/dbraw/zinc/16/04/87/747160487.db2.gz SUNAQQPNZJFXPP-KGLIPLIRSA-N 1 1 341.415 0.911 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088053282 747160804 /nfs/dbraw/zinc/16/08/04/747160804.db2.gz BNFKHCKTVFXKGV-PMPSAXMXSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088053282 747160807 /nfs/dbraw/zinc/16/08/07/747160807.db2.gz BNFKHCKTVFXKGV-PMPSAXMXSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3C(N)=O)C[C@@H]2C1 ZINC001088062406 747178592 /nfs/dbraw/zinc/17/85/92/747178592.db2.gz CMOPAOKWSZFLMA-CVEARBPZSA-N 1 1 325.412 0.742 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)Cn3cnnn3)CC2)c(F)c1 ZINC001002302727 747194270 /nfs/dbraw/zinc/19/42/70/747194270.db2.gz GFOKPXIIGSZLTK-UHFFFAOYSA-N 1 1 343.366 0.465 20 30 ECEDMO NC(=O)CC(=O)N1CC[C@@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C1 ZINC001041987381 782555785 /nfs/dbraw/zinc/55/57/85/782555785.db2.gz ZQXRPPLWAZTBHH-DLBZAZTESA-N 1 1 325.412 0.836 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccoc3CC(N)=O)C[C@@H]2C1 ZINC001088082730 747286758 /nfs/dbraw/zinc/28/67/58/747286758.db2.gz IFIOJOCXHDGQQX-KGLIPLIRSA-N 1 1 329.400 0.725 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC)CC[C@@H]3C2)c1 ZINC001088098908 747381576 /nfs/dbraw/zinc/38/15/76/747381576.db2.gz INMCSJNLCLPHNB-ZBFHGGJFSA-N 1 1 326.400 0.203 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)CC[C@@H]3C2)C1 ZINC001088098519 747383963 /nfs/dbraw/zinc/38/39/63/747383963.db2.gz NXXACNIRNKJLQT-QLFBSQMISA-N 1 1 345.443 0.928 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](CC)C(N)=O)CC[C@@H]3C2)c1 ZINC001088100093 747386951 /nfs/dbraw/zinc/38/69/51/747386951.db2.gz UDFJQWWLKXJXBS-PVAVHDDUSA-N 1 1 340.427 0.721 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCNC(=O)C3)C[C@@]2(C)C1 ZINC000982430587 752178177 /nfs/dbraw/zinc/17/81/77/752178177.db2.gz AASUFNDNHNERAD-HDICACEKSA-N 1 1 334.464 0.165 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ncccc2C#N)C1 ZINC001105409241 747415866 /nfs/dbraw/zinc/41/58/66/747415866.db2.gz ABZVFKHEAYGSAL-OAHLLOKOSA-N 1 1 331.420 0.569 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ncccc2C#N)C1 ZINC001105409241 747415869 /nfs/dbraw/zinc/41/58/69/747415869.db2.gz ABZVFKHEAYGSAL-OAHLLOKOSA-N 1 1 331.420 0.569 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]2C1 ZINC001088115619 747423427 /nfs/dbraw/zinc/42/34/27/747423427.db2.gz DOTOLQKDYYPPLJ-KGLIPLIRSA-N 1 1 330.432 0.931 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001002522159 747466210 /nfs/dbraw/zinc/46/62/10/747466210.db2.gz IEHZQWFOBGBSLI-LJQANCHMSA-N 1 1 341.455 0.949 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H](C)O)CC[C@@H]3C2)nn1 ZINC001088135591 747467012 /nfs/dbraw/zinc/46/70/12/747467012.db2.gz RYTWRNOKSOVEMF-KFWWJZLASA-N 1 1 333.436 0.629 20 30 ECEDMO C[C@@H]([NH2+]Cc1ccon1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979268384 747471391 /nfs/dbraw/zinc/47/13/91/747471391.db2.gz KOWGRRNACALEDU-IAQYHMDHSA-N 1 1 329.360 0.894 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@@H]2C1 ZINC001088138744 747482778 /nfs/dbraw/zinc/48/27/78/747482778.db2.gz AKJCURUOHGEZKS-CABCVRRESA-N 1 1 336.399 0.689 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(C#N)nn2)C1 ZINC001059498680 747537977 /nfs/dbraw/zinc/53/79/77/747537977.db2.gz QSELFUBSPPETPD-OHRKKDJYSA-N 1 1 340.431 0.916 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(C#N)n2)C1 ZINC001059498742 747538764 /nfs/dbraw/zinc/53/87/64/747538764.db2.gz VFVGJBMTVWMKTG-FFHGMXDLSA-N 1 1 340.431 0.916 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]2C1 ZINC001088152353 747539749 /nfs/dbraw/zinc/53/97/49/747539749.db2.gz YXXKHZFQTKVKLY-SJORKVTESA-N 1 1 342.443 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](CC)C(N)=O)CC[C@@H]3C2)cn1 ZINC001088175284 747677579 /nfs/dbraw/zinc/67/75/79/747677579.db2.gz OGDFNXSECYZBPO-HLLBOEOZSA-N 1 1 340.427 0.721 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001002722871 747700200 /nfs/dbraw/zinc/70/02/00/747700200.db2.gz OERLBXYWUBNVSQ-HNNXBMFYSA-N 1 1 328.372 0.747 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001002739221 747718538 /nfs/dbraw/zinc/71/85/38/747718538.db2.gz ZVFCSWJAWMODNT-KGLIPLIRSA-N 1 1 339.386 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001002739221 747718542 /nfs/dbraw/zinc/71/85/42/747718542.db2.gz ZVFCSWJAWMODNT-KGLIPLIRSA-N 1 1 339.386 0.704 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000985339482 747747520 /nfs/dbraw/zinc/74/75/20/747747520.db2.gz VCOLYDDKERUNET-UONOGXRCSA-N 1 1 341.477 0.894 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CCn3cncn3)CC2)C1 ZINC001088228154 747776441 /nfs/dbraw/zinc/77/64/41/747776441.db2.gz JLBRRGKSRREOTB-KRWDZBQOSA-N 1 1 345.447 0.631 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001088230394 747782889 /nfs/dbraw/zinc/78/28/89/747782889.db2.gz PFKQUCOAYLWSNW-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](OCC2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001088231328 747791453 /nfs/dbraw/zinc/79/14/53/747791453.db2.gz OPPCDFVLGCACRK-AWEZNQCLSA-N 1 1 343.855 0.944 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](OCC2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001088231328 747791458 /nfs/dbraw/zinc/79/14/58/747791458.db2.gz OPPCDFVLGCACRK-AWEZNQCLSA-N 1 1 343.855 0.944 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 ZINC001088234294 747801656 /nfs/dbraw/zinc/80/16/56/747801656.db2.gz NINFJWQXSVGUIG-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001088234338 747803359 /nfs/dbraw/zinc/80/33/59/747803359.db2.gz OZMIBBOAGSKROV-MRXNPFEDSA-N 1 1 348.451 0.579 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H]([C@H](C)[NH2+]Cc3cnon3)C2)cn1 ZINC000979435197 747832389 /nfs/dbraw/zinc/83/23/89/747832389.db2.gz UQYVKHSNDVMDIZ-LRDDRELGSA-N 1 1 341.371 0.465 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)/C=C\c2ccco2)C1 ZINC001002828862 747843630 /nfs/dbraw/zinc/84/36/30/747843630.db2.gz IEJSPENOOJRHST-QWPQOLDESA-N 1 1 341.411 0.965 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)/C=C\c2ccco2)C1 ZINC001002828862 747843638 /nfs/dbraw/zinc/84/36/38/747843638.db2.gz IEJSPENOOJRHST-QWPQOLDESA-N 1 1 341.411 0.965 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 ZINC001088237593 747844603 /nfs/dbraw/zinc/84/46/03/747844603.db2.gz YJCWCTOTRPZXTH-APWZRJJASA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc[nH]c2C)C1 ZINC001002829199 747845574 /nfs/dbraw/zinc/84/55/74/747845574.db2.gz JSPFQCWJWCHQAP-INIZCTEOSA-N 1 1 328.416 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc[nH]c2C)C1 ZINC001002829199 747845584 /nfs/dbraw/zinc/84/55/84/747845584.db2.gz JSPFQCWJWCHQAP-INIZCTEOSA-N 1 1 328.416 0.609 20 30 ECEDMO Cn1cc(C[N@H+](C)C2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)nn1 ZINC000985383938 747855165 /nfs/dbraw/zinc/85/51/65/747855165.db2.gz DGNQALWQXFBKJT-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1cc(C[N@@H+](C)C2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)nn1 ZINC000985383938 747855173 /nfs/dbraw/zinc/85/51/73/747855173.db2.gz DGNQALWQXFBKJT-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC001002835759 747856892 /nfs/dbraw/zinc/85/68/92/747856892.db2.gz PGJNMUNCVTUVGQ-IRXDYDNUSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC001002835759 747856902 /nfs/dbraw/zinc/85/69/02/747856902.db2.gz PGJNMUNCVTUVGQ-IRXDYDNUSA-N 1 1 347.459 0.474 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000988500957 752219124 /nfs/dbraw/zinc/21/91/24/752219124.db2.gz LSQANDKEVMALGX-DGCLKSJQSA-N 1 1 342.407 0.676 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000988500933 752219277 /nfs/dbraw/zinc/21/92/77/752219277.db2.gz LPWMBQMCFQJIAG-PWSUYJOCSA-N 1 1 340.391 0.601 20 30 ECEDMO C=C(Br)CN1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027804908 747917768 /nfs/dbraw/zinc/91/77/68/747917768.db2.gz JPSPDCSGIGFMRS-STQMWFEESA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(Br)CN1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027804908 747917771 /nfs/dbraw/zinc/91/77/71/747917771.db2.gz JPSPDCSGIGFMRS-STQMWFEESA-N 1 1 346.269 0.806 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC001088240337 747939090 /nfs/dbraw/zinc/93/90/90/747939090.db2.gz WDQZFNATPYBFTQ-GOSISDBHSA-N 1 1 344.459 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cn[nH]c3)C2)C1=O ZINC001029660793 748001848 /nfs/dbraw/zinc/00/18/48/748001848.db2.gz ZOIFNWHYMHGUNQ-UKRRQHHQSA-N 1 1 331.420 0.591 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC001002953375 748001932 /nfs/dbraw/zinc/00/19/32/748001932.db2.gz MYNUARKUVUIUKF-LLVKDONJSA-N 1 1 327.812 0.857 20 30 ECEDMO Cn1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)cc1=O ZINC001027813386 748003736 /nfs/dbraw/zinc/00/37/36/748003736.db2.gz SYKLTVJDSLOXTM-HNNXBMFYSA-N 1 1 339.399 0.979 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)CC2CCS(=O)(=O)CC2)C1 ZINC001029677113 748040172 /nfs/dbraw/zinc/04/01/72/748040172.db2.gz JCJZNFBWUANHCW-UKRRQHHQSA-N 1 1 341.477 0.751 20 30 ECEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029684579 748056873 /nfs/dbraw/zinc/05/68/73/748056873.db2.gz XFTVQFNHZGLSEN-HNNXBMFYSA-N 1 1 344.415 0.745 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000979578027 748071086 /nfs/dbraw/zinc/07/10/86/748071086.db2.gz LHLMNPNJXMTJJN-VQHPVUNQSA-N 1 1 346.475 0.189 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC000979611929 748120478 /nfs/dbraw/zinc/12/04/78/748120478.db2.gz FESJZHKSAKGQOZ-CFVMTHIKSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001003057517 748126400 /nfs/dbraw/zinc/12/64/00/748126400.db2.gz ZXXWLYMYDJBHAC-KRWDZBQOSA-N 1 1 329.448 0.598 20 30 ECEDMO C[N@H+](C[C@H]1CCc2ncnn21)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029733768 748176375 /nfs/dbraw/zinc/17/63/75/748176375.db2.gz OCPFUUYSJAEFPE-HZPDHXFCSA-N 1 1 327.432 0.959 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3n[nH]cc3C)C2)C1=O ZINC001029735062 748178182 /nfs/dbraw/zinc/17/81/82/748178182.db2.gz CDZPJQWERTWGCC-GJZGRUSLSA-N 1 1 345.447 0.899 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001029738032 748192078 /nfs/dbraw/zinc/19/20/78/748192078.db2.gz RTWLOHHJIKCMNS-GFCCVEGCSA-N 1 1 345.432 0.587 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nc(C)no2)C1 ZINC001029757880 748269176 /nfs/dbraw/zinc/26/91/76/748269176.db2.gz KGUGJNLZWGDJME-HOTGVXAUSA-N 1 1 345.447 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nc(C)no2)C1 ZINC001029757880 748269181 /nfs/dbraw/zinc/26/91/81/748269181.db2.gz KGUGJNLZWGDJME-HOTGVXAUSA-N 1 1 345.447 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2cnns2)C1 ZINC001029758163 748270333 /nfs/dbraw/zinc/27/03/33/748270333.db2.gz SRRYKAUFMNFFEV-ZBFHGGJFSA-N 1 1 347.488 0.916 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2cnns2)C1 ZINC001029758163 748270337 /nfs/dbraw/zinc/27/03/37/748270337.db2.gz SRRYKAUFMNFFEV-ZBFHGGJFSA-N 1 1 347.488 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000979743773 748329692 /nfs/dbraw/zinc/32/96/92/748329692.db2.gz CJJBGKOYOJQLLU-KKUMJFAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000979743773 748329699 /nfs/dbraw/zinc/32/96/99/748329699.db2.gz CJJBGKOYOJQLLU-KKUMJFAQSA-N 1 1 343.431 0.440 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001027834978 748356469 /nfs/dbraw/zinc/35/64/69/748356469.db2.gz MHGRAIXYXMMFAI-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001027834976 748356562 /nfs/dbraw/zinc/35/65/62/748356562.db2.gz MHGRAIXYXMMFAI-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C[C@@H]2CCNC(=O)CC2)c[nH]1 ZINC001027836584 748383045 /nfs/dbraw/zinc/38/30/45/748383045.db2.gz VWPCVUHRUXULCO-BBRMVZONSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cn[nH]n3)CC2)C1=O ZINC000985521683 748393975 /nfs/dbraw/zinc/39/39/75/748393975.db2.gz PNMOZHQVTWPEHD-AWEZNQCLSA-N 1 1 332.408 0.128 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC000985533144 748425450 /nfs/dbraw/zinc/42/54/50/748425450.db2.gz QUFJCFDJPWKMLY-UHFFFAOYSA-N 1 1 332.404 0.059 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](C[N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001029798856 748461246 /nfs/dbraw/zinc/46/12/46/748461246.db2.gz OHHSFDUARYTSDE-CYBMUJFWSA-N 1 1 335.452 0.991 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2coc(C)n2)C1=O ZINC001027843264 748514296 /nfs/dbraw/zinc/51/42/96/748514296.db2.gz UAJBEMBWFLAKKX-HIFRSBDPSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2coc(C)n2)C1=O ZINC001027843264 748514300 /nfs/dbraw/zinc/51/43/00/748514300.db2.gz UAJBEMBWFLAKKX-HIFRSBDPSA-N 1 1 332.404 0.964 20 30 ECEDMO Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001059587344 748616779 /nfs/dbraw/zinc/61/67/79/748616779.db2.gz QSTVBNCJGLSOCJ-ZNMIVQPWSA-N 1 1 329.404 0.651 20 30 ECEDMO Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001059587344 748616784 /nfs/dbraw/zinc/61/67/84/748616784.db2.gz QSTVBNCJGLSOCJ-ZNMIVQPWSA-N 1 1 329.404 0.651 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007319420 752287113 /nfs/dbraw/zinc/28/71/13/752287113.db2.gz HXFZHNJTJRVEHV-KGLIPLIRSA-N 1 1 331.420 0.919 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCC(=O)NC3=O)C2)C1 ZINC001029835317 748668270 /nfs/dbraw/zinc/66/82/70/748668270.db2.gz GAIONUSSYKBBFS-KBPBESRZSA-N 1 1 333.432 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC000979925874 748685676 /nfs/dbraw/zinc/68/56/76/748685676.db2.gz ZDAIDDDYLVEDAW-BPUTZDHNSA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC000979925874 748685681 /nfs/dbraw/zinc/68/56/81/748685681.db2.gz ZDAIDDDYLVEDAW-BPUTZDHNSA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccnn2C)C1 ZINC000979967235 748759017 /nfs/dbraw/zinc/75/90/17/748759017.db2.gz JHGXFYBRQIRTOC-DZKIICNBSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccnn2C)C1 ZINC000979967235 748759021 /nfs/dbraw/zinc/75/90/21/748759021.db2.gz JHGXFYBRQIRTOC-DZKIICNBSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000979969217 748763601 /nfs/dbraw/zinc/76/36/01/748763601.db2.gz ZFLZAEGUQKLXHS-DZKIICNBSA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000979969217 748763603 /nfs/dbraw/zinc/76/36/03/748763603.db2.gz ZFLZAEGUQKLXHS-DZKIICNBSA-N 1 1 328.416 0.737 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2n[nH]cc2C)C1=O ZINC001027876126 748959573 /nfs/dbraw/zinc/95/95/73/748959573.db2.gz FTHSEPKEOVNPGV-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2n[nH]cc2C)C1=O ZINC001027876126 748959575 /nfs/dbraw/zinc/95/95/75/748959575.db2.gz FTHSEPKEOVNPGV-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)nn1 ZINC001029862433 749016215 /nfs/dbraw/zinc/01/62/15/749016215.db2.gz PWVUCTGMTISKSQ-HIFRSBDPSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001059644296 749077345 /nfs/dbraw/zinc/07/73/45/749077345.db2.gz NQHUHGIRCGDJCC-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980164057 749095823 /nfs/dbraw/zinc/09/58/23/749095823.db2.gz NOSHFZMHVHAXHJ-RRFJBIMHSA-N 1 1 344.415 0.189 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC000980164718 749097367 /nfs/dbraw/zinc/09/73/67/749097367.db2.gz UUWHGLHZRFFCPM-HRCADAONSA-N 1 1 334.464 0.211 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001059646835 749098797 /nfs/dbraw/zinc/09/87/97/749098797.db2.gz YGSUONDKXCHGMY-MRXNPFEDSA-N 1 1 337.464 0.723 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCOC)C[C@@H]3C2)nn1 ZINC000980192791 749127062 /nfs/dbraw/zinc/12/70/62/749127062.db2.gz VIXLYSCVZGNCJP-SOUVJXGZSA-N 1 1 333.436 0.941 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000985804468 749141310 /nfs/dbraw/zinc/14/13/10/749141310.db2.gz PWSYTDDDVVIHJX-UHFFFAOYSA-N 1 1 334.424 0.089 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)ccc3=O)C[C@@H]2C1 ZINC000980211287 749191057 /nfs/dbraw/zinc/19/10/57/749191057.db2.gz GHYCHOMGTMMJJD-XHSDSOJGSA-N 1 1 328.416 0.402 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]2C1 ZINC000980211851 749191315 /nfs/dbraw/zinc/19/13/15/749191315.db2.gz UWAMJHWICNVYEI-IHRRRGAJSA-N 1 1 348.447 0.720 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC000985866952 749232734 /nfs/dbraw/zinc/23/27/34/749232734.db2.gz CSEYBOKCGWNQPG-OWCLPIDISA-N 1 1 349.475 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC000985866952 749232736 /nfs/dbraw/zinc/23/27/36/749232736.db2.gz CSEYBOKCGWNQPG-OWCLPIDISA-N 1 1 349.475 0.836 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC000980248758 749237389 /nfs/dbraw/zinc/23/73/89/749237389.db2.gz VSNCDDOFUFWRDN-SOUVJXGZSA-N 1 1 346.431 0.120 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(=O)n(C)n3)C[C@@H]2C1 ZINC000980236490 749237617 /nfs/dbraw/zinc/23/76/17/749237617.db2.gz NCMSKGIHVYQDIJ-RRFJBIMHSA-N 1 1 328.416 0.634 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980253330 749259184 /nfs/dbraw/zinc/25/91/84/749259184.db2.gz NKXWENNJHRYFBK-BFHYXJOUSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980258803 749266038 /nfs/dbraw/zinc/26/60/38/749266038.db2.gz ZVTHWYCQKGQXPQ-BFHYXJOUSA-N 1 1 344.415 0.340 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC000980268248 749278208 /nfs/dbraw/zinc/27/82/08/749278208.db2.gz FWHHEUCFGQWBDV-GOSISDBHSA-N 1 1 339.439 0.975 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC000980268248 749278212 /nfs/dbraw/zinc/27/82/12/749278212.db2.gz FWHHEUCFGQWBDV-GOSISDBHSA-N 1 1 339.439 0.975 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN([C@H](C)C(=O)NC)CC2)CC1 ZINC001004200565 749306530 /nfs/dbraw/zinc/30/65/30/749306530.db2.gz CYXSIGHFZZZJON-CQSZACIVSA-N 1 1 334.464 0.047 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1=O ZINC001029877800 749330861 /nfs/dbraw/zinc/33/08/61/749330861.db2.gz WCXRYEZIMWDGFN-CABCVRRESA-N 1 1 345.447 0.519 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC001004456090 749521883 /nfs/dbraw/zinc/52/18/83/749521883.db2.gz LNLYLKGTGGNDDT-GUYCJALGSA-N 1 1 340.427 0.449 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001004478738 749549451 /nfs/dbraw/zinc/54/94/51/749549451.db2.gz XSSWWJXHYUQLEK-HZPDHXFCSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001004549215 749610407 /nfs/dbraw/zinc/61/04/07/749610407.db2.gz VJHHVEXPVMVAEZ-HRCADAONSA-N 1 1 333.432 0.356 20 30 ECEDMO N#CCN1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004577195 749650951 /nfs/dbraw/zinc/65/09/51/749650951.db2.gz QXNLGPHBXSBPOJ-KRWDZBQOSA-N 1 1 334.464 0.935 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cnnn2)CC1 ZINC001004586088 749657479 /nfs/dbraw/zinc/65/74/79/749657479.db2.gz OXTZBSHSICUAOZ-MRXNPFEDSA-N 1 1 330.436 0.790 20 30 ECEDMO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059730367 750152945 /nfs/dbraw/zinc/15/29/45/750152945.db2.gz FPQZYMDYLQSHJN-BZUAXINKSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001029971211 750155078 /nfs/dbraw/zinc/15/50/78/750155078.db2.gz RHVLYZGWBJDWOY-SJORKVTESA-N 1 1 346.475 0.143 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058848396 750157294 /nfs/dbraw/zinc/15/72/94/750157294.db2.gz FGQUCGMXCJKDMI-GJZGRUSLSA-N 1 1 339.480 0.724 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001058849071 750168693 /nfs/dbraw/zinc/16/86/93/750168693.db2.gz NYVNRMRGDCJEPW-JKSUJKDBSA-N 1 1 337.464 0.315 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059732340 750198679 /nfs/dbraw/zinc/19/86/79/750198679.db2.gz PKNZHFOPIVUYES-IXDOHACOSA-N 1 1 349.475 0.721 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001028059734 750436486 /nfs/dbraw/zinc/43/64/86/750436486.db2.gz BOVFHMAXDSVUHF-LBPRGKRZSA-N 1 1 330.396 0.464 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccncc2)C1 ZINC001005603032 750440596 /nfs/dbraw/zinc/44/05/96/750440596.db2.gz LWJABQGOZGSISP-YOEHRIQHSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccncc2)C1 ZINC001005603032 750440597 /nfs/dbraw/zinc/44/05/97/750440597.db2.gz LWJABQGOZGSISP-YOEHRIQHSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cnn(C)c2)C1 ZINC001005686115 750526258 /nfs/dbraw/zinc/52/62/58/750526258.db2.gz RWVNXRJDHAXCRD-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cnn(C)c2)C1 ZINC001005686115 750526261 /nfs/dbraw/zinc/52/62/61/750526261.db2.gz RWVNXRJDHAXCRD-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC)[C@H]2C)nn1 ZINC000987133438 750528806 /nfs/dbraw/zinc/52/88/06/750528806.db2.gz KUGGARJPELGOMH-OLZOCXBDSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nncn3C)[C@@H]2C)nn1 ZINC000987171589 750545430 /nfs/dbraw/zinc/54/54/30/750545430.db2.gz XEBINYDCKYBLBK-QWHCGFSZSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nncn3C)[C@@H]2C)nn1 ZINC000987171592 750545793 /nfs/dbraw/zinc/54/57/93/750545793.db2.gz XEBINYDCKYBLBK-STQMWFEESA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3oncc3C)C2)nn1 ZINC001105356456 750557468 /nfs/dbraw/zinc/55/74/68/750557468.db2.gz RYMHWPRLMCYWQQ-UHFFFAOYSA-N 1 1 346.391 0.564 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnc(C)cn2)CC1 ZINC000981365016 750628315 /nfs/dbraw/zinc/62/83/15/750628315.db2.gz FILRQFMCFKBAPT-SFHVURJKSA-N 1 1 341.459 0.917 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnc(C)cn2)CC1 ZINC000981365016 750628318 /nfs/dbraw/zinc/62/83/18/750628318.db2.gz FILRQFMCFKBAPT-SFHVURJKSA-N 1 1 341.459 0.917 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059794699 750744560 /nfs/dbraw/zinc/74/45/60/750744560.db2.gz QDLAWEPYOOIVQL-VNHYZAJKSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059794699 750744562 /nfs/dbraw/zinc/74/45/62/750744562.db2.gz QDLAWEPYOOIVQL-VNHYZAJKSA-N 1 1 344.419 0.517 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)c(F)c1 ZINC001028109604 750900501 /nfs/dbraw/zinc/90/05/01/750900501.db2.gz LIEXWHTYIFGMKE-HIFRSBDPSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)c(F)c1 ZINC001028109604 750900503 /nfs/dbraw/zinc/90/05/03/750900503.db2.gz LIEXWHTYIFGMKE-HIFRSBDPSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N1CCO[C@H](C)C1)C2 ZINC000981669469 750948330 /nfs/dbraw/zinc/94/83/30/750948330.db2.gz NGTMTOSLBOQLFP-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)N1CCO[C@H](C)C1)C2 ZINC000981669469 750948334 /nfs/dbraw/zinc/94/83/34/750948334.db2.gz NGTMTOSLBOQLFP-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC000981669794 750949622 /nfs/dbraw/zinc/94/96/22/750949622.db2.gz WZUGUKYAEMSFPM-LSDHHAIUSA-N 1 1 331.420 0.328 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000987543839 750953213 /nfs/dbraw/zinc/95/32/13/750953213.db2.gz QINXZKIUULDZTR-BNOWGMLFSA-N 1 1 329.404 0.557 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCC3(CN(C(=O)CC(N)=O)C3)C2)c(F)c1 ZINC000981679928 750964153 /nfs/dbraw/zinc/96/41/53/750964153.db2.gz YJQUZMOUNIURHE-UHFFFAOYSA-N 1 1 344.390 0.997 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CN(C(=O)CC(N)=O)C3)C2)c(F)c1 ZINC000981679928 750964156 /nfs/dbraw/zinc/96/41/56/750964156.db2.gz YJQUZMOUNIURHE-UHFFFAOYSA-N 1 1 344.390 0.997 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CCCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000981694158 750979793 /nfs/dbraw/zinc/97/97/93/750979793.db2.gz CEDCLJCSAJUNMA-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000981720849 751012340 /nfs/dbraw/zinc/01/23/40/751012340.db2.gz UNHOQUJDQNPBAS-UHFFFAOYSA-N 1 1 343.431 0.997 20 30 ECEDMO C#CCC[NH+]1CCC(N(C)C(=O)[C@@]2(C)CCCS2(=O)=O)CC1 ZINC001006118306 751036888 /nfs/dbraw/zinc/03/68/88/751036888.db2.gz ISGIWAICFYQVPG-MRXNPFEDSA-N 1 1 326.462 0.900 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001098514235 751162982 /nfs/dbraw/zinc/16/29/82/751162982.db2.gz LUQCUCVPZGECEN-UHFFFAOYSA-N 1 1 332.404 0.036 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnc3c(cnn3C)c2)CC1 ZINC001098514301 751171326 /nfs/dbraw/zinc/17/13/26/751171326.db2.gz OMQJXFUZTBLTTD-UHFFFAOYSA-N 1 1 341.415 0.500 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001028141385 751197321 /nfs/dbraw/zinc/19/73/21/751197321.db2.gz LEDXGXFQQSHSOL-XHSDSOJGSA-N 1 1 326.400 0.760 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001006303629 751222236 /nfs/dbraw/zinc/22/22/36/751222236.db2.gz PAICQMMTDIJPHA-UHFFFAOYSA-N 1 1 330.388 0.115 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2=COCCC2)C1 ZINC001006320899 751243457 /nfs/dbraw/zinc/24/34/57/751243457.db2.gz PTJIZFXZYWDHHV-YOEHRIQHSA-N 1 1 345.443 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2=COCCC2)C1 ZINC001006320899 751243463 /nfs/dbraw/zinc/24/34/63/751243463.db2.gz PTJIZFXZYWDHHV-YOEHRIQHSA-N 1 1 345.443 0.741 20 30 ECEDMO C=CCOCC[N@H+](CCO)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001098514570 751247345 /nfs/dbraw/zinc/24/73/45/751247345.db2.gz ZZZAZOQDQQAKFA-UHFFFAOYSA-N 1 1 336.436 0.440 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC000981908704 751262589 /nfs/dbraw/zinc/26/25/89/751262589.db2.gz OOELOHBCJMPSRM-HNNXBMFYSA-N 1 1 343.431 0.866 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)CC2)c1 ZINC000981923706 751275374 /nfs/dbraw/zinc/27/53/74/751275374.db2.gz XLJOTWSGEPNAJI-AWEZNQCLSA-N 1 1 328.416 0.688 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)N(C)C)CC2)c1 ZINC000981923706 751275378 /nfs/dbraw/zinc/27/53/78/751275378.db2.gz XLJOTWSGEPNAJI-AWEZNQCLSA-N 1 1 328.416 0.688 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001007340829 752308672 /nfs/dbraw/zinc/30/86/72/752308672.db2.gz WMLWJEHDPRWXCW-HNNXBMFYSA-N 1 1 325.376 0.326 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001007340829 752308682 /nfs/dbraw/zinc/30/86/82/752308682.db2.gz WMLWJEHDPRWXCW-HNNXBMFYSA-N 1 1 325.376 0.326 20 30 ECEDMO COCCN(CCNC(=O)Cn1cc[nH+]c1C)c1ncccc1C#N ZINC001126350018 752316822 /nfs/dbraw/zinc/31/68/22/752316822.db2.gz QYNIGWJJJOADJZ-UHFFFAOYSA-N 1 1 342.403 0.727 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC ZINC001211994608 752322187 /nfs/dbraw/zinc/32/21/87/752322187.db2.gz FHAOCRKAZMHKRK-RRFJBIMHSA-N 1 1 337.424 0.075 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC ZINC001211994608 752322190 /nfs/dbraw/zinc/32/21/90/752322190.db2.gz FHAOCRKAZMHKRK-RRFJBIMHSA-N 1 1 337.424 0.075 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001087452202 752357117 /nfs/dbraw/zinc/35/71/17/752357117.db2.gz HUXZDFQAILOZPY-HZPDHXFCSA-N 1 1 344.394 0.973 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C3CC3)C2)nc1 ZINC001020947191 752372955 /nfs/dbraw/zinc/37/29/55/752372955.db2.gz QXPQEYFJWZBKIE-JOCQHMNTSA-N 1 1 337.387 0.435 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988619566 752386923 /nfs/dbraw/zinc/38/69/23/752386923.db2.gz GBVAXNSCIGIJTM-RISCZKNCSA-N 1 1 345.382 0.840 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001212034036 752422726 /nfs/dbraw/zinc/42/27/26/752422726.db2.gz RJRABWJHKMGFIA-BZUAXINKSA-N 1 1 342.436 0.200 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001212034036 752422729 /nfs/dbraw/zinc/42/27/29/752422729.db2.gz RJRABWJHKMGFIA-BZUAXINKSA-N 1 1 342.436 0.200 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000988630457 752425350 /nfs/dbraw/zinc/42/53/50/752425350.db2.gz FDQQWDUIQKOXTD-RISCZKNCSA-N 1 1 342.407 0.676 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001059911018 752452523 /nfs/dbraw/zinc/45/25/23/752452523.db2.gz CGNKUTURDMRQSJ-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001059911018 752452529 /nfs/dbraw/zinc/45/25/29/752452529.db2.gz CGNKUTURDMRQSJ-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3[nH]cnc3CC)C2)nn1 ZINC001105368028 752467265 /nfs/dbraw/zinc/46/72/65/752467265.db2.gz MXRCWKMDBNPYKY-UHFFFAOYSA-N 1 1 329.408 0.926 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000988657491 752494219 /nfs/dbraw/zinc/49/42/19/752494219.db2.gz UOONAZOYHIDENJ-DGCLKSJQSA-N 1 1 327.392 0.891 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001212178023 752497336 /nfs/dbraw/zinc/49/73/36/752497336.db2.gz FWLCZNJYUVISOT-RKVPGOIHSA-N 1 1 349.431 0.028 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001087455040 752497356 /nfs/dbraw/zinc/49/73/56/752497356.db2.gz XKFGKOMZGLGGJP-BZUAXINKSA-N 1 1 345.374 0.841 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001087455040 752497358 /nfs/dbraw/zinc/49/73/58/752497358.db2.gz XKFGKOMZGLGGJP-BZUAXINKSA-N 1 1 345.374 0.841 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C)no3)C2)C1=O ZINC001028403415 752550234 /nfs/dbraw/zinc/55/02/34/752550234.db2.gz JDDHUTCFDBDLRJ-KBPBESRZSA-N 1 1 332.404 0.822 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cnns3)C2)C1=O ZINC001028424646 752611571 /nfs/dbraw/zinc/61/15/71/752611571.db2.gz SPYKJZCABMSVEC-NEPJUHHUSA-N 1 1 335.433 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncc2)[C@@H]1C ZINC000988736522 752635071 /nfs/dbraw/zinc/63/50/71/752635071.db2.gz CTENULCCDXZSMZ-PVAVHDDUSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncc2)[C@@H]1C ZINC000988736522 752635074 /nfs/dbraw/zinc/63/50/74/752635074.db2.gz CTENULCCDXZSMZ-PVAVHDDUSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2[nH]cnc2C)[C@@H]1C ZINC000988736944 752635478 /nfs/dbraw/zinc/63/54/78/752635478.db2.gz TYBSHAHIHCZFQB-ILXRZTDVSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2[nH]cnc2C)[C@@H]1C ZINC000988736944 752635483 /nfs/dbraw/zinc/63/54/83/752635483.db2.gz TYBSHAHIHCZFQB-ILXRZTDVSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccns2)[C@@H]1C ZINC000988738303 752641006 /nfs/dbraw/zinc/64/10/06/752641006.db2.gz LRCVANLDDISNPW-RDBSUJKOSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccns2)[C@@H]1C ZINC000988738303 752641010 /nfs/dbraw/zinc/64/10/10/752641010.db2.gz LRCVANLDDISNPW-RDBSUJKOSA-N 1 1 346.456 0.960 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1OC ZINC001212092934 752714393 /nfs/dbraw/zinc/71/43/93/752714393.db2.gz XLSZMSQDDONBTM-BZUAXINKSA-N 1 1 328.453 0.946 20 30 ECEDMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 ZINC001212081678 752715579 /nfs/dbraw/zinc/71/55/79/752715579.db2.gz RMNRZXIALWZFEZ-RBSFLKMASA-N 1 1 347.419 0.359 20 30 ECEDMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 ZINC001212081678 752715583 /nfs/dbraw/zinc/71/55/83/752715583.db2.gz RMNRZXIALWZFEZ-RBSFLKMASA-N 1 1 347.419 0.359 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(C)nc3C)C2)nn1 ZINC001098645528 752728376 /nfs/dbraw/zinc/72/83/76/752728376.db2.gz PFBFBSMAEBALKV-AWEZNQCLSA-N 1 1 329.408 0.683 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001028472799 752770278 /nfs/dbraw/zinc/77/02/78/752770278.db2.gz WXBLQXRAAVLUSB-NWDGAFQWSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001028472799 752770281 /nfs/dbraw/zinc/77/02/81/752770281.db2.gz WXBLQXRAAVLUSB-NWDGAFQWSA-N 1 1 344.253 0.859 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)[nH]1 ZINC001028486781 752807406 /nfs/dbraw/zinc/80/74/06/752807406.db2.gz KPBFXRYTXFMUSF-AWEZNQCLSA-N 1 1 343.431 0.951 20 30 ECEDMO Cn1nccc1CC[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028490113 752828830 /nfs/dbraw/zinc/82/88/30/752828830.db2.gz GBJGSSUDTSCPFF-CYBMUJFWSA-N 1 1 326.404 0.914 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)[nH]1 ZINC001028487005 752832612 /nfs/dbraw/zinc/83/26/12/752832612.db2.gz OLNFEBPZAPOBMA-ZFWWWQNUSA-N 1 1 342.403 0.196 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c[nH]1 ZINC001028491760 752836527 /nfs/dbraw/zinc/83/65/27/752836527.db2.gz KHXWKBCRZALFLL-KGLIPLIRSA-N 1 1 343.431 0.854 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)c[nH]1 ZINC001028491776 752836658 /nfs/dbraw/zinc/83/66/58/752836658.db2.gz LCFKXIHKFIXVKT-LBPRGKRZSA-N 1 1 343.387 0.087 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@@H](C)C(N)=O)C[C@]2(C)C1 ZINC000982574461 752947367 /nfs/dbraw/zinc/94/73/67/752947367.db2.gz NYNAHYWFHGUBSA-BKZBBRBJSA-N 1 1 335.448 0.622 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982575662 752961473 /nfs/dbraw/zinc/96/14/73/752961473.db2.gz YVJJDRZCCQKZQW-LKKZHYCFSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001007842552 752979035 /nfs/dbraw/zinc/97/90/35/752979035.db2.gz BGNGILUDHYORJM-CQSZACIVSA-N 1 1 332.404 0.107 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001007860231 753000118 /nfs/dbraw/zinc/00/01/18/753000118.db2.gz SBJMBHJRFIEIQX-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000982660455 753227190 /nfs/dbraw/zinc/22/71/90/753227190.db2.gz CWXSNSQTJPJTMM-UMVBOHGHSA-N 1 1 343.431 0.805 20 30 ECEDMO CC(C)Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 ZINC001051493964 762203915 /nfs/dbraw/zinc/20/39/15/762203915.db2.gz CNECTKDGUIABFT-ZIAGYGMSSA-N 1 1 334.424 0.411 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc3n2CCCC3)C1 ZINC001051494903 762206301 /nfs/dbraw/zinc/20/63/01/762206301.db2.gz OZHONCXKEDUASA-QWHCGFSZSA-N 1 1 332.408 0.091 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000938130135 753383511 /nfs/dbraw/zinc/38/35/11/753383511.db2.gz QRXIDPHXBTZEFQ-CABCVRRESA-N 1 1 330.432 0.957 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001028581359 753397433 /nfs/dbraw/zinc/39/74/33/753397433.db2.gz IONDNBMXEYICNR-NWDGAFQWSA-N 1 1 344.253 0.811 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001028581359 753397437 /nfs/dbraw/zinc/39/74/37/753397437.db2.gz IONDNBMXEYICNR-NWDGAFQWSA-N 1 1 344.253 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C)[nH]2)[C@@H]1C ZINC001088631278 753430879 /nfs/dbraw/zinc/43/08/79/753430879.db2.gz CCADAYVHWVCMRF-SNPRPXQTSA-N 1 1 330.436 0.290 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C)[nH]2)[C@@H]1C ZINC001088631278 753430881 /nfs/dbraw/zinc/43/08/81/753430881.db2.gz CCADAYVHWVCMRF-SNPRPXQTSA-N 1 1 330.436 0.290 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000982783430 753559545 /nfs/dbraw/zinc/55/95/45/753559545.db2.gz SNEQAWALXRGBPJ-HZPDHXFCSA-N 1 1 340.427 0.593 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001098681267 753621405 /nfs/dbraw/zinc/62/14/05/753621405.db2.gz QIPSAVLZQAELJZ-INIZCTEOSA-N 1 1 344.463 0.649 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnn4c3CCC4)C2)nn1 ZINC001098681668 753640160 /nfs/dbraw/zinc/64/01/60/753640160.db2.gz WELRMXFCQRHNDZ-AWEZNQCLSA-N 1 1 341.419 0.784 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001008362976 753657771 /nfs/dbraw/zinc/65/77/71/753657771.db2.gz CDFFXXVKKCYDCW-GJZGRUSLSA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001008362976 753657773 /nfs/dbraw/zinc/65/77/73/753657773.db2.gz CDFFXXVKKCYDCW-GJZGRUSLSA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1 ZINC001008369205 753665172 /nfs/dbraw/zinc/66/51/72/753665172.db2.gz BVWMXNWWKHRJST-HUUCEWRRSA-N 1 1 327.388 0.320 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098682994 753692115 /nfs/dbraw/zinc/69/21/15/753692115.db2.gz MNIVXYHERIHQTI-SJORKVTESA-N 1 1 344.463 0.649 20 30 ECEDMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083373973 753719688 /nfs/dbraw/zinc/71/96/88/753719688.db2.gz GJQJLGRYWUFISR-SJORKVTESA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083373973 753719691 /nfs/dbraw/zinc/71/96/91/753719691.db2.gz GJQJLGRYWUFISR-SJORKVTESA-N 1 1 339.399 0.575 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@]2(C)C1 ZINC001101224474 753738851 /nfs/dbraw/zinc/73/88/51/753738851.db2.gz WUGAZFNGAGYHSE-XUJVJEKNSA-N 1 1 325.359 0.171 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CNC(=O)[C@@H](C)CC)C2)nn1 ZINC001105374120 753748958 /nfs/dbraw/zinc/74/89/58/753748958.db2.gz JBSJKWVVHUVTLL-ZDUSSCGKSA-N 1 1 348.451 0.489 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c1 ZINC001083392349 753793543 /nfs/dbraw/zinc/79/35/43/753793543.db2.gz DLYBXYRPOOEALV-SJORKVTESA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c1 ZINC001083392349 753793548 /nfs/dbraw/zinc/79/35/48/753793548.db2.gz DLYBXYRPOOEALV-SJORKVTESA-N 1 1 335.367 0.733 20 30 ECEDMO Cc1nc(CC[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cs1 ZINC001083392787 753794531 /nfs/dbraw/zinc/79/45/31/753794531.db2.gz YVPGERXMLXIXTQ-CABCVRRESA-N 1 1 345.428 0.669 20 30 ECEDMO Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cs1 ZINC001083392787 753794533 /nfs/dbraw/zinc/79/45/33/753794533.db2.gz YVPGERXMLXIXTQ-CABCVRRESA-N 1 1 345.428 0.669 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)nc2)C1 ZINC001105531615 753799712 /nfs/dbraw/zinc/79/97/12/753799712.db2.gz BZDGBBANMZBFCU-KRWDZBQOSA-N 1 1 345.447 0.957 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cc[nH]c(=O)c3)[C@@H](O)C2)cc1 ZINC001083397168 753813032 /nfs/dbraw/zinc/81/30/32/753813032.db2.gz WAQYFKXNKCUWEM-CVEARBPZSA-N 1 1 338.367 0.634 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cc[nH]c(=O)c3)[C@@H](O)C2)cc1 ZINC001083397168 753813035 /nfs/dbraw/zinc/81/30/35/753813035.db2.gz WAQYFKXNKCUWEM-CVEARBPZSA-N 1 1 338.367 0.634 20 30 ECEDMO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105582980 753863112 /nfs/dbraw/zinc/86/31/12/753863112.db2.gz CDMCQJQXPISVGU-CABCVRRESA-N 1 1 344.419 0.106 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001028603841 753901646 /nfs/dbraw/zinc/90/16/46/753901646.db2.gz JHYIBAIZHVGFPG-JKSUJKDBSA-N 1 1 327.432 0.907 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CO[C@H](C[NH2+]Cc3cnn(C)n3)C2)CC1 ZINC000982892864 754104638 /nfs/dbraw/zinc/10/46/38/754104638.db2.gz ZFDYLGJWMXZLMX-ZFWWWQNUSA-N 1 1 346.435 0.462 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001008795688 754127856 /nfs/dbraw/zinc/12/78/56/754127856.db2.gz RBSQZANBORBXRO-HNNXBMFYSA-N 1 1 343.435 0.900 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001008795688 754127858 /nfs/dbraw/zinc/12/78/58/754127858.db2.gz RBSQZANBORBXRO-HNNXBMFYSA-N 1 1 343.435 0.900 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028640897 754146450 /nfs/dbraw/zinc/14/64/50/754146450.db2.gz XORAGMYOYNNBIK-UONOGXRCSA-N 1 1 333.436 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000982920045 754196045 /nfs/dbraw/zinc/19/60/45/754196045.db2.gz BXGGWGFPLWTLCP-GJZGRUSLSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC000982920045 754196046 /nfs/dbraw/zinc/19/60/46/754196046.db2.gz BXGGWGFPLWTLCP-GJZGRUSLSA-N 1 1 343.431 0.394 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001028654472 754282949 /nfs/dbraw/zinc/28/29/49/754282949.db2.gz OJHRKHFOOBBBIG-BBRMVZONSA-N 1 1 345.447 0.811 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000982955258 754285664 /nfs/dbraw/zinc/28/56/64/754285664.db2.gz AFUIVUYKPNPQHS-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001028655659 754308732 /nfs/dbraw/zinc/30/87/32/754308732.db2.gz RKUBTZBFLFXVIB-OAHLLOKOSA-N 1 1 331.416 0.570 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C(N)=O)cn3C)CCC[C@H]12 ZINC000991629948 762295633 /nfs/dbraw/zinc/29/56/33/762295633.db2.gz YFMMDHOSDWVNKN-YJBOKZPZSA-N 1 1 328.416 0.874 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3cnn(C)c3)C2)nn1 ZINC001105377196 754504955 /nfs/dbraw/zinc/50/49/55/754504955.db2.gz UFUHEANSMYIDGM-UHFFFAOYSA-N 1 1 343.435 0.693 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN(CCOC)c1nc(C)cc(C#N)n1 ZINC001126403443 754518442 /nfs/dbraw/zinc/51/84/42/754518442.db2.gz GANOHYALKRLFCL-UHFFFAOYSA-N 1 1 348.451 0.568 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001028672802 754564737 /nfs/dbraw/zinc/56/47/37/754564737.db2.gz PGBDHTDLACOHQI-AWEZNQCLSA-N 1 1 329.400 0.626 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4ccn[nH]4)CCC[C@@H]23)C1=O ZINC000989969040 754603039 /nfs/dbraw/zinc/60/30/39/754603039.db2.gz GBGROIZWYBPWQP-HDMKZQKVSA-N 1 1 343.431 0.923 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001105872911 762317407 /nfs/dbraw/zinc/31/74/07/762317407.db2.gz FKVUIXKOIPZHCX-KBPBESRZSA-N 1 1 332.408 0.112 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3nccnc3C#N)C2)C1 ZINC001060006852 754681269 /nfs/dbraw/zinc/68/12/69/754681269.db2.gz GRXKYUBEKCCUNQ-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3nccnc3C#N)C2)C1 ZINC001060006852 754681272 /nfs/dbraw/zinc/68/12/72/754681272.db2.gz GRXKYUBEKCCUNQ-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccccc2F)C1 ZINC000990093777 754714090 /nfs/dbraw/zinc/71/40/90/754714090.db2.gz OKZHAKIFHFVORU-INIZCTEOSA-N 1 1 329.375 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccccc2F)C1 ZINC000990093777 754714093 /nfs/dbraw/zinc/71/40/93/754714093.db2.gz OKZHAKIFHFVORU-INIZCTEOSA-N 1 1 329.375 0.864 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001009257543 754714873 /nfs/dbraw/zinc/71/48/73/754714873.db2.gz FCMMFEUREWAKBP-ZDUSSCGKSA-N 1 1 325.368 0.788 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001009257543 754714878 /nfs/dbraw/zinc/71/48/78/754714878.db2.gz FCMMFEUREWAKBP-ZDUSSCGKSA-N 1 1 325.368 0.788 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)s1 ZINC001009265721 754722346 /nfs/dbraw/zinc/72/23/46/754722346.db2.gz XKGILYZZGXAXBX-FZMZJTMJSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)s1 ZINC001009265721 754722350 /nfs/dbraw/zinc/72/23/50/754722350.db2.gz XKGILYZZGXAXBX-FZMZJTMJSA-N 1 1 332.429 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCN(C)C3=O)C2)nc1 ZINC001009269418 754725602 /nfs/dbraw/zinc/72/56/02/754725602.db2.gz ODZYQNDYGMMEQM-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)nc1 ZINC001009269418 754725606 /nfs/dbraw/zinc/72/56/06/754725606.db2.gz ODZYQNDYGMMEQM-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC001009275015 754732229 /nfs/dbraw/zinc/73/22/29/754732229.db2.gz LBRUARGNEOODDI-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC001009275015 754732233 /nfs/dbraw/zinc/73/22/33/754732233.db2.gz LBRUARGNEOODDI-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)nc1 ZINC001051556190 762332156 /nfs/dbraw/zinc/33/21/56/762332156.db2.gz SDOJDHPVDJZXKS-CQSZACIVSA-N 1 1 340.387 0.616 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001028711428 754792454 /nfs/dbraw/zinc/79/24/54/754792454.db2.gz ARHXHHDMQZFACT-KBPBESRZSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001028712749 754800474 /nfs/dbraw/zinc/80/04/74/754800474.db2.gz YQAWLYHIMRZULO-GJZGRUSLSA-N 1 1 330.432 0.999 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCn2cncn2)CC3)c[nH]1 ZINC000990287655 754925069 /nfs/dbraw/zinc/92/50/69/754925069.db2.gz IXEFPQKRNMOZJQ-RDJZCZTQSA-N 1 1 339.403 0.905 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H]2CCCNC2=O)CC3)[nH]1 ZINC000990276565 754931526 /nfs/dbraw/zinc/93/15/26/754931526.db2.gz MNBAFPGSZUEXPN-DAYGRLMNSA-N 1 1 341.415 0.892 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990277450 754932548 /nfs/dbraw/zinc/93/25/48/754932548.db2.gz QBVGRPNZXQNPPB-WBVHZDCISA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990277450 754932552 /nfs/dbraw/zinc/93/25/52/754932552.db2.gz QBVGRPNZXQNPPB-WBVHZDCISA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001028743841 754952132 /nfs/dbraw/zinc/95/21/32/754952132.db2.gz CYSOJJGKDQZWAC-LBPRGKRZSA-N 1 1 343.366 0.473 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC001075700037 755063471 /nfs/dbraw/zinc/06/34/71/755063471.db2.gz AFXYWIZUPFQSCW-APHBMKBZSA-N 1 1 341.415 0.653 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001028774524 755065312 /nfs/dbraw/zinc/06/53/12/755065312.db2.gz XWAGBAFJWOZIIX-LSDHHAIUSA-N 1 1 327.388 0.178 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)c[nH]1 ZINC001075703846 755136799 /nfs/dbraw/zinc/13/67/99/755136799.db2.gz SEGOBQXAMHSKMC-XJKSGUPXSA-N 1 1 341.415 0.655 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)c[nH]1 ZINC001075703846 755136806 /nfs/dbraw/zinc/13/68/06/755136806.db2.gz SEGOBQXAMHSKMC-XJKSGUPXSA-N 1 1 341.415 0.655 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001028808611 755197272 /nfs/dbraw/zinc/19/72/72/755197272.db2.gz BHBZQKITJRWMCL-OIISXLGYSA-N 1 1 332.448 0.992 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(F)nc2)C1 ZINC000990512684 755304658 /nfs/dbraw/zinc/30/46/58/755304658.db2.gz GOYRZGBZKFEJNE-AWEZNQCLSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(F)nc2)C1 ZINC000990512684 755304663 /nfs/dbraw/zinc/30/46/63/755304663.db2.gz GOYRZGBZKFEJNE-AWEZNQCLSA-N 1 1 330.363 0.259 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnnn3C)C2)nn1 ZINC001028857024 755321353 /nfs/dbraw/zinc/32/13/53/755321353.db2.gz SPVRHLLSAGZRDW-CYBMUJFWSA-N 1 1 344.423 0.235 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cnnn3C)C2)nn1 ZINC001028857024 755321359 /nfs/dbraw/zinc/32/13/59/755321359.db2.gz SPVRHLLSAGZRDW-CYBMUJFWSA-N 1 1 344.423 0.235 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001009768828 755382720 /nfs/dbraw/zinc/38/27/20/755382720.db2.gz QRNFMQLUXBBQOY-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001009768828 755382722 /nfs/dbraw/zinc/38/27/22/755382722.db2.gz QRNFMQLUXBBQOY-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cccnn3)C2)C1=O ZINC001028884860 755384036 /nfs/dbraw/zinc/38/40/36/755384036.db2.gz MPFRMATVRCDOGA-ZFWWWQNUSA-N 1 1 329.404 0.315 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000983370743 755442642 /nfs/dbraw/zinc/44/26/42/755442642.db2.gz SNWQYBNZRNXUIQ-QRTARXTBSA-N 1 1 346.431 0.898 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3nocc3C)C2)C1=O ZINC001028911437 755461150 /nfs/dbraw/zinc/46/11/50/755461150.db2.gz FDWPNGLZOFYXAL-UONOGXRCSA-N 1 1 332.404 0.822 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC001088750811 755485986 /nfs/dbraw/zinc/48/59/86/755485986.db2.gz KAZJJUPYTOIQST-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)nn2C)[C@@H](O)C1 ZINC001083489650 755677549 /nfs/dbraw/zinc/67/75/49/755677549.db2.gz QHBNSHXMMZGSOC-KOLCDFICSA-N 1 1 330.310 0.237 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088795645 755718248 /nfs/dbraw/zinc/71/82/48/755718248.db2.gz JDLGAJMXWPKADL-SWHYSGLUSA-N 1 1 347.444 0.722 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088795645 755718250 /nfs/dbraw/zinc/71/82/50/755718250.db2.gz JDLGAJMXWPKADL-SWHYSGLUSA-N 1 1 347.444 0.722 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(C#N)n1 ZINC001105670946 755728700 /nfs/dbraw/zinc/72/87/00/755728700.db2.gz WSFULDNJKVPCDP-KBPBESRZSA-N 1 1 330.436 0.809 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@](C)(O)C3CC3)C2)nn1 ZINC001098659120 755789765 /nfs/dbraw/zinc/78/97/65/755789765.db2.gz MABAJGKKAPYMBG-RDJZCZTQSA-N 1 1 333.436 0.878 20 30 ECEDMO C=C(C)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CNC(N)=O)CC1 ZINC001105674218 755807746 /nfs/dbraw/zinc/80/77/46/755807746.db2.gz VFAWLNCSFCLEDU-IYBDPMFKSA-N 1 1 349.479 0.370 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)cc1 ZINC001010249821 755881242 /nfs/dbraw/zinc/88/12/42/755881242.db2.gz CVPXTGXXKSRRSZ-NVXWUHKLSA-N 1 1 345.399 0.695 20 30 ECEDMO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@H]2CC3CC[NH+]2CC3)c1N ZINC001142626549 755884181 /nfs/dbraw/zinc/88/41/81/755884181.db2.gz PKXKEJIEGPECJR-GFCCVEGCSA-N 1 1 327.392 0.107 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522896 755890797 /nfs/dbraw/zinc/89/07/97/755890797.db2.gz CCSAEYXCERICQT-ZACQAIPSSA-N 1 1 337.464 0.367 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522896 755890802 /nfs/dbraw/zinc/89/08/02/755890802.db2.gz CCSAEYXCERICQT-ZACQAIPSSA-N 1 1 337.464 0.367 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CNC(=O)CC)CC1 ZINC001105678598 755926919 /nfs/dbraw/zinc/92/69/19/755926919.db2.gz KJWBUVPFYNYMEX-CALCHBBNSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)[C@@H](O)C1 ZINC001083536270 755977428 /nfs/dbraw/zinc/97/74/28/755977428.db2.gz KSWQOBPLYXUVII-OWLYRPNTSA-N 1 1 328.412 0.983 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)[C@@H](O)C1 ZINC001083536270 755977430 /nfs/dbraw/zinc/97/74/30/755977430.db2.gz KSWQOBPLYXUVII-OWLYRPNTSA-N 1 1 328.412 0.983 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)[C@@H](O)C1 ZINC001083538181 755986091 /nfs/dbraw/zinc/98/60/91/755986091.db2.gz LXQBAWXEBHOHRN-WCVJEAGWSA-N 1 1 335.448 0.515 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)[C@@H](O)C1 ZINC001083538181 755986096 /nfs/dbraw/zinc/98/60/96/755986096.db2.gz LXQBAWXEBHOHRN-WCVJEAGWSA-N 1 1 335.448 0.515 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CSCC#N)C1 ZINC001051600780 762437625 /nfs/dbraw/zinc/43/76/25/762437625.db2.gz YOTGPUDPDBBLAV-UONOGXRCSA-N 1 1 340.493 0.938 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001076074123 756059537 /nfs/dbraw/zinc/05/95/37/756059537.db2.gz NEZRMGHAERQTDA-OLZOCXBDSA-N 1 1 331.420 0.853 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4n[nH]nc4C)[C@@H]3C2)C1=O ZINC001076118135 756098056 /nfs/dbraw/zinc/09/80/56/756098056.db2.gz IVYDKVNBFROFGT-BFHYXJOUSA-N 1 1 344.419 0.046 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4[nH]nnc4C)[C@@H]3C2)C1=O ZINC001076118135 756098060 /nfs/dbraw/zinc/09/80/60/756098060.db2.gz IVYDKVNBFROFGT-BFHYXJOUSA-N 1 1 344.419 0.046 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4[nH]nnc4C)[C@@H]3C2)C1=O ZINC001076118135 756098065 /nfs/dbraw/zinc/09/80/65/756098065.db2.gz IVYDKVNBFROFGT-BFHYXJOUSA-N 1 1 344.419 0.046 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2N(C(=O)C#CC2CC2)CC3)C1 ZINC001014285234 762443123 /nfs/dbraw/zinc/44/31/23/762443123.db2.gz PYWGQOPKAJZRPW-BXWFABGCSA-N 1 1 329.444 0.991 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c1 ZINC001010467903 756159719 /nfs/dbraw/zinc/15/97/19/756159719.db2.gz DWKWFHJDVOZGCB-TZMCWYRMSA-N 1 1 329.404 0.607 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cccnc1 ZINC001076163314 756168552 /nfs/dbraw/zinc/16/85/52/756168552.db2.gz XCCKWHSUUWRNFC-RDJZCZTQSA-N 1 1 342.443 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cccnc1 ZINC001076163314 756168555 /nfs/dbraw/zinc/16/85/55/756168555.db2.gz XCCKWHSUUWRNFC-RDJZCZTQSA-N 1 1 342.443 0.733 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001076184101 756170084 /nfs/dbraw/zinc/17/00/84/756170084.db2.gz FOQQATFDWPYXAX-SWLSCSKDSA-N 1 1 331.420 0.995 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001076183215 756181863 /nfs/dbraw/zinc/18/18/63/756181863.db2.gz PDXZPYYNYDLFOZ-OLZOCXBDSA-N 1 1 331.420 0.853 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12 ZINC000991651447 762461306 /nfs/dbraw/zinc/46/13/06/762461306.db2.gz CSCRVNTXZGFHGM-DYVFJYSZSA-N 1 1 332.404 0.638 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)ccc1F ZINC001010672909 756380667 /nfs/dbraw/zinc/38/06/67/756380667.db2.gz XEHVTRNKVZNMJE-MRXNPFEDSA-N 1 1 346.406 0.720 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)ccc1F ZINC001010672909 756380673 /nfs/dbraw/zinc/38/06/73/756380673.db2.gz XEHVTRNKVZNMJE-MRXNPFEDSA-N 1 1 346.406 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4nc(C)c[nH]4)[C@@H]3C2)C1=O ZINC001076342627 756392811 /nfs/dbraw/zinc/39/28/11/756392811.db2.gz VKFDGSKGGSUQGV-SOUVJXGZSA-N 1 1 343.431 0.651 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1 ZINC001076360801 756414767 /nfs/dbraw/zinc/41/47/67/756414767.db2.gz QFXUKECDGAVJFU-GXTWGEPZSA-N 1 1 327.388 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)C1CC1)C2 ZINC001010724625 756445909 /nfs/dbraw/zinc/44/59/09/756445909.db2.gz WQXSQFQVKQPCTH-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)C1CC1)C2 ZINC001010724625 756445913 /nfs/dbraw/zinc/44/59/13/756445913.db2.gz WQXSQFQVKQPCTH-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)C#CC(C)(C)C)C1 ZINC001076436711 756511286 /nfs/dbraw/zinc/51/12/86/756511286.db2.gz WRDSHQJASIHJJN-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)C#CC(C)(C)C)C1 ZINC001076436711 756511289 /nfs/dbraw/zinc/51/12/89/756511289.db2.gz WRDSHQJASIHJJN-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)nc1 ZINC001076476084 756562411 /nfs/dbraw/zinc/56/24/11/756562411.db2.gz UYDUQMNXFDUXDZ-DUVNUKRYSA-N 1 1 326.400 0.344 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)nc1 ZINC001076476084 756562413 /nfs/dbraw/zinc/56/24/13/756562413.db2.gz UYDUQMNXFDUXDZ-DUVNUKRYSA-N 1 1 326.400 0.344 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010837589 756584870 /nfs/dbraw/zinc/58/48/70/756584870.db2.gz DEOJSZMWAIMJNA-KBPBESRZSA-N 1 1 344.371 0.366 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001010837589 756584873 /nfs/dbraw/zinc/58/48/73/756584873.db2.gz DEOJSZMWAIMJNA-KBPBESRZSA-N 1 1 344.371 0.366 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076503453 756586820 /nfs/dbraw/zinc/58/68/20/756586820.db2.gz IVCGQWVEOYSTHQ-SQWLQELKSA-N 1 1 339.461 0.014 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001076505342 756589559 /nfs/dbraw/zinc/58/95/59/756589559.db2.gz ROYKJYCWEQWNPS-HNNXBMFYSA-N 1 1 325.453 0.769 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1COC(=O)N1 ZINC001010844098 756594113 /nfs/dbraw/zinc/59/41/13/756594113.db2.gz UIUVGHNAIQVNSH-GJZGRUSLSA-N 1 1 347.802 0.990 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1COC(=O)N1 ZINC001010844098 756594116 /nfs/dbraw/zinc/59/41/16/756594116.db2.gz UIUVGHNAIQVNSH-GJZGRUSLSA-N 1 1 347.802 0.990 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)nn1 ZINC001010849550 756599633 /nfs/dbraw/zinc/59/96/33/756599633.db2.gz GJRVFGGTPGTGGR-CQSZACIVSA-N 1 1 340.387 0.722 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 ZINC001076531526 756616186 /nfs/dbraw/zinc/61/61/86/756616186.db2.gz PKXJGRAOBORAKJ-QWHCGFSZSA-N 1 1 334.420 0.426 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1c1nccnc1C#N ZINC001060124303 756623844 /nfs/dbraw/zinc/62/38/44/756623844.db2.gz XYPUSHWEWXZMOY-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO C=C1CCC(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001010873499 756626179 /nfs/dbraw/zinc/62/61/79/756626179.db2.gz YQSRNLZATMGEHV-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C1CCC(C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001010873499 756626181 /nfs/dbraw/zinc/62/61/81/756626181.db2.gz YQSRNLZATMGEHV-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011027877 756789764 /nfs/dbraw/zinc/78/97/64/756789764.db2.gz GOFNPFVKPPUUPP-SWLSCSKDSA-N 1 1 329.404 0.368 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4(F)F)C[C@H]3C2)C1=O ZINC001048807232 757059615 /nfs/dbraw/zinc/05/96/15/757059615.db2.gz LYXJLUMTDOBVEK-RFQIPJPRSA-N 1 1 339.386 0.819 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC001011159418 757062952 /nfs/dbraw/zinc/06/29/52/757062952.db2.gz VREWHCBNPNYZGQ-HNNXBMFYSA-N 1 1 326.400 0.299 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048826871 757122671 /nfs/dbraw/zinc/12/26/71/757122671.db2.gz MEVXTVNLPFNSCM-JKJDWNRSSA-N 1 1 333.432 0.246 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3cccn4nnnc34)C[C@H]2C1 ZINC001048841010 757149570 /nfs/dbraw/zinc/14/95/70/757149570.db2.gz CDIIDAZRDUJKMY-TXEJJXNPSA-N 1 1 332.795 0.881 20 30 ECEDMO C#CCCCC(=O)NCc1cn(C2C[NH+](CCCOCC)C2)nn1 ZINC001107164987 757167383 /nfs/dbraw/zinc/16/73/83/757167383.db2.gz NSVVTHXGCPPUDN-UHFFFAOYSA-N 1 1 333.436 0.981 20 30 ECEDMO Cn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076799202 757178302 /nfs/dbraw/zinc/17/83/02/757178302.db2.gz MGGFMHQTVNSMFN-GDBMZVCRSA-N 1 1 325.372 0.267 20 30 ECEDMO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076799202 757178308 /nfs/dbraw/zinc/17/83/08/757178308.db2.gz MGGFMHQTVNSMFN-GDBMZVCRSA-N 1 1 325.372 0.267 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)c1 ZINC001076793201 757188509 /nfs/dbraw/zinc/18/85/09/757188509.db2.gz COSPYRJWZXRSDJ-BRWVUGGUSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)c1 ZINC001076793201 757188513 /nfs/dbraw/zinc/18/85/13/757188513.db2.gz COSPYRJWZXRSDJ-BRWVUGGUSA-N 1 1 329.400 0.646 20 30 ECEDMO C[C@H](O)CCC[NH+]1CC(n2cc(CNC(=O)C#CC(C)(C)C)nn2)C1 ZINC001107171206 757217399 /nfs/dbraw/zinc/21/73/99/757217399.db2.gz NHJRYMOVHOOMNX-AWEZNQCLSA-N 1 1 347.463 0.962 20 30 ECEDMO COCCCC[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107171398 757218219 /nfs/dbraw/zinc/21/82/19/757218219.db2.gz WXFCXJWTIOKDKE-UHFFFAOYSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CCOCCC(=O)NCc1cn(C2C[NH+](C[C@H](CC)OC)C2)nn1 ZINC001107171356 757218555 /nfs/dbraw/zinc/21/85/55/757218555.db2.gz UXBMWMJYOQIXEK-INIZCTEOSA-N 1 1 349.435 0.216 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001048874332 757254319 /nfs/dbraw/zinc/25/43/19/757254319.db2.gz WYNZDBDSNFTKIF-ILXRZTDVSA-N 1 1 335.448 0.018 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001076812706 757257940 /nfs/dbraw/zinc/25/79/40/757257940.db2.gz RBDNAQHIJOQHMU-BRWVUGGUSA-N 1 1 346.406 0.453 20 30 ECEDMO C#CCN1CC(n2cc(CNC(=O)CC[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107180470 757300096 /nfs/dbraw/zinc/30/00/96/757300096.db2.gz TXQCHZYARGMSJR-OAHLLOKOSA-N 1 1 330.436 0.259 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@H]12 ZINC000990994880 757304316 /nfs/dbraw/zinc/30/43/16/757304316.db2.gz GBJWXRLCFHJHQP-HOCLYGCPSA-N 1 1 339.461 0.158 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCC1 ZINC001021382137 757373480 /nfs/dbraw/zinc/37/34/80/757373480.db2.gz QDPZKMNBEZVNTL-VEDBGLOESA-N 1 1 347.459 0.921 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001011280897 757394936 /nfs/dbraw/zinc/39/49/36/757394936.db2.gz LETPBOPNWFNUGE-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001011280897 757394943 /nfs/dbraw/zinc/39/49/43/757394943.db2.gz LETPBOPNWFNUGE-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1 ZINC001076855755 757397741 /nfs/dbraw/zinc/39/77/41/757397741.db2.gz LVIIHZXJBDUCBD-IAGOWNOFSA-N 1 1 340.383 0.870 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1 ZINC001076855755 757397748 /nfs/dbraw/zinc/39/77/48/757397748.db2.gz LVIIHZXJBDUCBD-IAGOWNOFSA-N 1 1 340.383 0.870 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)c1 ZINC001076855824 757398341 /nfs/dbraw/zinc/39/83/41/757398341.db2.gz OUIJBEACYYCSBW-HZPDHXFCSA-N 1 1 332.404 0.478 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001021407758 757402083 /nfs/dbraw/zinc/40/20/83/757402083.db2.gz URBCOJFZQWKNGB-GJLQCQLHSA-N 1 1 335.448 0.825 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cnc4sccn4c3=O)C[C@H]2C1 ZINC001048923872 757425088 /nfs/dbraw/zinc/42/50/88/757425088.db2.gz IASLXXSVFYYXRY-BETUJISGSA-N 1 1 342.424 0.783 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@H]2C1 ZINC001048924097 757426633 /nfs/dbraw/zinc/42/66/33/757426633.db2.gz PIUVLLAALRAVCW-SOUVJXGZSA-N 1 1 326.462 0.778 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]2C1 ZINC001048924806 757428478 /nfs/dbraw/zinc/42/84/78/757428478.db2.gz JRRLITPNDMOSON-GASCZTMLSA-N 1 1 333.432 0.882 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001021446554 757456569 /nfs/dbraw/zinc/45/65/69/757456569.db2.gz CQGJAHWHEMZFQP-ALOPSCKCSA-N 1 1 325.412 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC001011314297 757488704 /nfs/dbraw/zinc/48/87/04/757488704.db2.gz UPNTZNMPFIGAGK-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC001011314297 757488712 /nfs/dbraw/zinc/48/87/12/757488712.db2.gz UPNTZNMPFIGAGK-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cocc2C)CC1 ZINC001011314673 757489711 /nfs/dbraw/zinc/48/97/11/757489711.db2.gz COEQNRGNKANZBY-INIZCTEOSA-N 1 1 329.400 0.970 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cocc2C)CC1 ZINC001011314673 757489716 /nfs/dbraw/zinc/48/97/16/757489716.db2.gz COEQNRGNKANZBY-INIZCTEOSA-N 1 1 329.400 0.970 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cncn4)nc3)C[C@H]2C1 ZINC001048971039 757553916 /nfs/dbraw/zinc/55/39/16/757553916.db2.gz BLXCXWKWVNTQAU-IYBDPMFKSA-N 1 1 336.399 0.689 20 30 ECEDMO CC#CCCCC(=O)NCc1cn(C2C[NH+](CCCOC)C2)nn1 ZINC001107198108 757564786 /nfs/dbraw/zinc/56/47/86/757564786.db2.gz SIEKIJGISTVKEB-UHFFFAOYSA-N 1 1 333.436 0.981 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001048977124 757579085 /nfs/dbraw/zinc/57/90/85/757579085.db2.gz XVGZRUJPHKLLQT-IYBDPMFKSA-N 1 1 349.475 0.838 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC001021559568 757599523 /nfs/dbraw/zinc/59/95/23/757599523.db2.gz SKDRSKYNNKIHKP-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001076927991 757626521 /nfs/dbraw/zinc/62/65/21/757626521.db2.gz WCWPNUGXWBGQFF-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@H]21 ZINC001021581261 757635675 /nfs/dbraw/zinc/63/56/75/757635675.db2.gz OFEBKFCEVYLPSR-IAGOWNOFSA-N 1 1 344.459 0.738 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(CCOC)nn2)C1 ZINC001021585324 757643465 /nfs/dbraw/zinc/64/34/65/757643465.db2.gz RDNPWTNPTMKCQL-DOTOQJQBSA-N 1 1 345.447 0.874 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001021588249 757649161 /nfs/dbraw/zinc/64/91/61/757649161.db2.gz QVDYFPMCTCKTJA-GVDBMIGSSA-N 1 1 329.444 0.943 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001021588251 757649408 /nfs/dbraw/zinc/64/94/08/757649408.db2.gz QVDYFPMCTCKTJA-YESZJQIVSA-N 1 1 329.444 0.943 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001021592397 757655254 /nfs/dbraw/zinc/65/52/54/757655254.db2.gz AVQPLADFWRFURH-JKSUJKDBSA-N 1 1 326.400 0.664 20 30 ECEDMO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076935973 757668578 /nfs/dbraw/zinc/66/85/78/757668578.db2.gz YKIYIVJFGNMFMX-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076935973 757668585 /nfs/dbraw/zinc/66/85/85/757668585.db2.gz YKIYIVJFGNMFMX-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001021620926 757695792 /nfs/dbraw/zinc/69/57/92/757695792.db2.gz YAHOJKKSYMVJEQ-JKSUJKDBSA-N 1 1 347.463 0.861 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ncc(C#N)cc2F)C1 ZINC001107211165 757699712 /nfs/dbraw/zinc/69/97/12/757699712.db2.gz SRIDLNUQOHGZDN-NHZBNJEXSA-N 1 1 347.394 0.897 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ncc(C#N)cc2F)C1 ZINC001107211165 757699720 /nfs/dbraw/zinc/69/97/20/757699720.db2.gz SRIDLNUQOHGZDN-NHZBNJEXSA-N 1 1 347.394 0.897 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001049018919 757707875 /nfs/dbraw/zinc/70/78/75/757707875.db2.gz APISJQLHONCZLU-KBPBESRZSA-N 1 1 339.480 0.959 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021632773 757714412 /nfs/dbraw/zinc/71/44/12/757714412.db2.gz MGXVJXMLGRDCFK-JKSUJKDBSA-N 1 1 347.463 0.861 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001049021663 757716805 /nfs/dbraw/zinc/71/68/05/757716805.db2.gz ATPGEDPYVPDAFZ-PHIMTYICSA-N 1 1 342.237 0.551 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001049021663 757716812 /nfs/dbraw/zinc/71/68/12/757716812.db2.gz ATPGEDPYVPDAFZ-PHIMTYICSA-N 1 1 342.237 0.551 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)ccc1F ZINC001021662385 757754739 /nfs/dbraw/zinc/75/47/39/757754739.db2.gz VCLKTIVUJZHINE-CJNGLKHVSA-N 1 1 344.390 0.996 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4n[nH]cc4F)C[C@H]3C2)C1=O ZINC001049039141 757756300 /nfs/dbraw/zinc/75/63/00/757756300.db2.gz RQSBZQFQVGVQKC-MBNYWOFBSA-N 1 1 347.394 0.340 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]3C2)c1 ZINC001049047716 757774901 /nfs/dbraw/zinc/77/49/01/757774901.db2.gz RUZYWUAPVJSVEJ-OWCLPIDISA-N 1 1 326.400 0.331 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)CC[C@@H]32)nn1 ZINC001021686528 757780504 /nfs/dbraw/zinc/78/05/04/757780504.db2.gz YXNSFSLHHLWBJN-ZFWWWQNUSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001021688269 757784002 /nfs/dbraw/zinc/78/40/02/757784002.db2.gz MNIIWLYAWVWOOC-ZFWWWQNUSA-N 1 1 339.399 0.995 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001021689011 757785592 /nfs/dbraw/zinc/78/55/92/757785592.db2.gz UNCOWDDSHJQFJY-ZIAGYGMSSA-N 1 1 334.420 0.427 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@H]2C1 ZINC001049055030 757793169 /nfs/dbraw/zinc/79/31/69/757793169.db2.gz WLCXVLICFBDYQJ-XUWVNRHRSA-N 1 1 333.432 0.036 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021714065 757852303 /nfs/dbraw/zinc/85/23/03/757852303.db2.gz UYMLKJSKRTWANF-CABCVRRESA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccnc3nc(C)nn32)C1 ZINC001021715040 757852995 /nfs/dbraw/zinc/85/29/95/757852995.db2.gz ZPZGCWZLJOMFGF-CABCVRRESA-N 1 1 338.415 0.992 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2nc(C)ccc2=O)C1 ZINC001021716379 757853916 /nfs/dbraw/zinc/85/39/16/757853916.db2.gz DGMKLKVEABPQTM-IAGOWNOFSA-N 1 1 342.443 0.888 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccnc3nc(C)nn32)C1 ZINC001021715047 757854122 /nfs/dbraw/zinc/85/41/22/757854122.db2.gz ZPZGCWZLJOMFGF-LSDHHAIUSA-N 1 1 338.415 0.992 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021724089 757864490 /nfs/dbraw/zinc/86/44/90/757864490.db2.gz JAOCSFZYMSCNRG-CVEARBPZSA-N 1 1 347.463 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2C1 ZINC001049067876 757866413 /nfs/dbraw/zinc/86/64/13/757866413.db2.gz BBFAVQSJVRMAKX-JJTUDDRGSA-N 1 1 347.459 0.589 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)c3ccn[nH]3)[C@H]2C)CC1 ZINC001011520678 757873245 /nfs/dbraw/zinc/87/32/45/757873245.db2.gz CGWZOQKWZDBHLZ-DZGCQCFKSA-N 1 1 343.431 0.474 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2C1 ZINC001049069596 757874378 /nfs/dbraw/zinc/87/43/78/757874378.db2.gz YPMJAMQKPGSYOP-TWMKSMIVSA-N 1 1 347.459 0.590 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@H]2C1 ZINC001049073219 757882930 /nfs/dbraw/zinc/88/29/30/757882930.db2.gz HCPZCZSTRIHAGW-SOUVJXGZSA-N 1 1 330.436 0.592 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cncc(C(N)=O)c2)C1 ZINC001021738876 757886835 /nfs/dbraw/zinc/88/68/35/757886835.db2.gz CQICUCANNGNALP-BBRMVZONSA-N 1 1 326.400 0.740 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nncn3C)C(C)(C)C2)cn1 ZINC000996536217 757917305 /nfs/dbraw/zinc/91/73/05/757917305.db2.gz NVSKHWYNUDTPHA-HNNXBMFYSA-N 1 1 338.415 0.832 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077018169 757948074 /nfs/dbraw/zinc/94/80/74/757948074.db2.gz QFYKTQVYWQZRRF-VQHPVUNQSA-N 1 1 348.447 0.105 20 30 ECEDMO C=CCn1cccc1C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001077018455 757948343 /nfs/dbraw/zinc/94/83/43/757948343.db2.gz XNOKKLQNYHHVQY-GOEBONIOSA-N 1 1 348.447 0.629 20 30 ECEDMO C=CCn1cccc1C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001077018455 757948349 /nfs/dbraw/zinc/94/83/49/757948349.db2.gz XNOKKLQNYHHVQY-GOEBONIOSA-N 1 1 348.447 0.629 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3ncnn3C)C(C)(C)C2)cn1 ZINC000996537221 757958829 /nfs/dbraw/zinc/95/88/29/757958829.db2.gz VGDSOBUOECDLCZ-OAHLLOKOSA-N 1 1 338.415 0.832 20 30 ECEDMO C#CCOc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@@H]3C2)cc1 ZINC001049102093 757962339 /nfs/dbraw/zinc/96/23/39/757962339.db2.gz KWQZYZOKMFYYDD-BMFZPTHFSA-N 1 1 341.411 0.576 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2occ3c2CCC3)C1 ZINC000996542261 757970333 /nfs/dbraw/zinc/97/03/33/757970333.db2.gz DXVKKQQAVDGWAM-INIZCTEOSA-N 1 1 341.411 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2occ3c2CCC3)C1 ZINC000996542261 757970336 /nfs/dbraw/zinc/97/03/36/757970336.db2.gz DXVKKQQAVDGWAM-INIZCTEOSA-N 1 1 341.411 0.807 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3cnn(C)c3)nn2)C1 ZINC001107244568 758006884 /nfs/dbraw/zinc/00/68/84/758006884.db2.gz ZNEMSGKVSCHSIC-CYBMUJFWSA-N 1 1 343.435 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)COC)CCC[C@@H]23)C1=O ZINC001107245489 758007394 /nfs/dbraw/zinc/00/73/94/758007394.db2.gz DQZMKAMVYPRMOF-HDMKZQKVSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4nccs4)C[C@H]3C2)C1=O ZINC001049129372 758062434 /nfs/dbraw/zinc/06/24/34/758062434.db2.gz HUDJJVMXENVDFK-HZSPNIEDSA-N 1 1 346.456 0.934 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@H]2C1 ZINC001049161321 758177560 /nfs/dbraw/zinc/17/75/60/758177560.db2.gz IQNBDQUSWHHCMK-OAGGEKHMSA-N 1 1 338.473 0.615 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049161513 758177918 /nfs/dbraw/zinc/17/79/18/758177918.db2.gz WUVYIEFUKJVGHE-BNOWGMLFSA-N 1 1 325.840 0.998 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001077102849 758184872 /nfs/dbraw/zinc/18/48/72/758184872.db2.gz WURNXEQGRYFFKY-UKRRQHHQSA-N 1 1 328.376 0.013 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001049172306 758212278 /nfs/dbraw/zinc/21/22/78/758212278.db2.gz PUZKSRBUARPQSO-WCVJEAGWSA-N 1 1 337.464 0.713 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001049172305 758212853 /nfs/dbraw/zinc/21/28/53/758212853.db2.gz PUZKSRBUARPQSO-FZKCQIBNSA-N 1 1 337.464 0.713 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnns3)CCC[C@@H]12 ZINC001107293904 758213001 /nfs/dbraw/zinc/21/30/01/758213001.db2.gz OSLOGGFQELCWGG-IUODEOHRSA-N 1 1 348.432 0.152 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnns3)CCC[C@@H]12 ZINC001107293904 758213009 /nfs/dbraw/zinc/21/30/09/758213009.db2.gz OSLOGGFQELCWGG-IUODEOHRSA-N 1 1 348.432 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc(C)nn1 ZINC001077124120 758240715 /nfs/dbraw/zinc/24/07/15/758240715.db2.gz NBNRDLXOQLVKDJ-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc(C)nn1 ZINC001077124120 758240718 /nfs/dbraw/zinc/24/07/18/758240718.db2.gz NBNRDLXOQLVKDJ-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC1CCOCC1 ZINC001077124136 758241603 /nfs/dbraw/zinc/24/16/03/758241603.db2.gz NGXILWAMLQOTRG-RDJZCZTQSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC1CCOCC1 ZINC001077124136 758241607 /nfs/dbraw/zinc/24/16/07/758241607.db2.gz NGXILWAMLQOTRG-RDJZCZTQSA-N 1 1 349.475 0.912 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001049190630 758258871 /nfs/dbraw/zinc/25/88/71/758258871.db2.gz YVIJBAYSMFDAAJ-HDICACEKSA-N 1 1 339.439 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC1(COC)CC1 ZINC001077124573 758284457 /nfs/dbraw/zinc/28/44/57/758284457.db2.gz YPDNZEISHNXDPC-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC1(COC)CC1 ZINC001077124573 758284467 /nfs/dbraw/zinc/28/44/67/758284467.db2.gz YPDNZEISHNXDPC-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc[nH]c(=O)c1 ZINC001077124388 758284769 /nfs/dbraw/zinc/28/47/69/758284769.db2.gz UXDUTYOZJQHPFO-ZFWWWQNUSA-N 1 1 344.415 0.509 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc[nH]c(=O)c1 ZINC001077124388 758284774 /nfs/dbraw/zinc/28/47/74/758284774.db2.gz UXDUTYOZJQHPFO-ZFWWWQNUSA-N 1 1 344.415 0.509 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnn(C)c1C ZINC001077124429 758284979 /nfs/dbraw/zinc/28/49/79/758284979.db2.gz VSKHRFXHGBNJEH-BBRMVZONSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnn(C)c1C ZINC001077124429 758284993 /nfs/dbraw/zinc/28/49/93/758284993.db2.gz VSKHRFXHGBNJEH-BBRMVZONSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cn(C)cn1 ZINC001077124588 758287328 /nfs/dbraw/zinc/28/73/28/758287328.db2.gz ZEQMSCNLXZEMLJ-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cn(C)cn1 ZINC001077124588 758287335 /nfs/dbraw/zinc/28/73/35/758287335.db2.gz ZEQMSCNLXZEMLJ-ZFWWWQNUSA-N 1 1 331.420 0.142 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C)CCOC ZINC001077125326 758291157 /nfs/dbraw/zinc/29/11/57/758291157.db2.gz RTIMVYFHYDRTEZ-PMPSAXMXSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C)CCOC ZINC001077125326 758291166 /nfs/dbraw/zinc/29/11/66/758291166.db2.gz RTIMVYFHYDRTEZ-PMPSAXMXSA-N 1 1 337.464 0.768 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC001049206755 758305330 /nfs/dbraw/zinc/30/53/30/758305330.db2.gz FGJGAHSQOQDSPL-BETUJISGSA-N 1 1 329.404 0.546 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2cnn(C)c2)C1=O ZINC001032309835 758334229 /nfs/dbraw/zinc/33/42/29/758334229.db2.gz AMLVQSAZSXLOEJ-HRCADAONSA-N 1 1 343.431 0.035 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001077147445 758342830 /nfs/dbraw/zinc/34/28/30/758342830.db2.gz PJQMQYHCEREVIQ-KBAYOESNSA-N 1 1 328.412 0.910 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001077147445 758342843 /nfs/dbraw/zinc/34/28/43/758342843.db2.gz PJQMQYHCEREVIQ-KBAYOESNSA-N 1 1 328.412 0.910 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC001032312086 758357169 /nfs/dbraw/zinc/35/71/69/758357169.db2.gz CVSHRHMAARFMFI-AVGNSLFASA-N 1 1 347.419 0.152 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC001032312086 758357180 /nfs/dbraw/zinc/35/71/80/758357180.db2.gz CVSHRHMAARFMFI-AVGNSLFASA-N 1 1 347.419 0.152 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1O ZINC001077159062 758375920 /nfs/dbraw/zinc/37/59/20/758375920.db2.gz MJXKYILKSJDQBH-FGTMMUONSA-N 1 1 333.476 0.826 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CN3CCOCC3)CCC[C@@H]12 ZINC001107370345 758412630 /nfs/dbraw/zinc/41/26/30/758412630.db2.gz NWJDHJROAAWTAD-IEBWSBKVSA-N 1 1 349.475 0.329 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049251587 758438895 /nfs/dbraw/zinc/43/88/95/758438895.db2.gz FXFPOVOUCMZILV-UTUOFQBUSA-N 1 1 325.796 0.182 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3COC(=O)N3)CCC[C@@H]12 ZINC001107388695 758441899 /nfs/dbraw/zinc/44/18/99/758441899.db2.gz WYYKMBFKZKLLKK-CKEIUWERSA-N 1 1 337.420 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nnc(CC)o2)C1 ZINC001022221178 758443085 /nfs/dbraw/zinc/44/30/85/758443085.db2.gz ZIWRWOSZVBCNPY-MJBXVCDLSA-N 1 1 331.420 0.466 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nnc(CC)o2)C1 ZINC001022221178 758443088 /nfs/dbraw/zinc/44/30/88/758443088.db2.gz ZIWRWOSZVBCNPY-MJBXVCDLSA-N 1 1 331.420 0.466 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107404990 758482131 /nfs/dbraw/zinc/48/21/31/758482131.db2.gz ZTZHBYHXPUFOEG-VQIMIIECSA-N 1 1 347.459 0.666 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc[nH]c3)CCC[C@@H]12 ZINC001107413884 758527187 /nfs/dbraw/zinc/52/71/87/758527187.db2.gz YBUDVIMAYZXLQO-CRAIPNDOSA-N 1 1 328.416 0.739 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1O ZINC001049360831 758566569 /nfs/dbraw/zinc/56/65/69/758566569.db2.gz LCDZXLKHKCFDOY-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001077234281 758582025 /nfs/dbraw/zinc/58/20/25/758582025.db2.gz BVNFCXLNIQUZDA-VXGBXAGGSA-N 1 1 336.392 0.235 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)c3[nH]nc4c3CCC4)C2)C1=O ZINC001022355613 758616465 /nfs/dbraw/zinc/61/64/65/758616465.db2.gz TZORNQYYFWRYGI-TYNCELHUSA-N 1 1 343.431 0.536 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@@H](O)C1 ZINC001083569655 758618049 /nfs/dbraw/zinc/61/80/49/758618049.db2.gz FOYIZDHPKMPCJO-KXNHARMFSA-N 1 1 338.326 0.070 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@@H](O)C1 ZINC001083569655 758618055 /nfs/dbraw/zinc/61/80/55/758618055.db2.gz FOYIZDHPKMPCJO-KXNHARMFSA-N 1 1 338.326 0.070 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2nccnc2C#N)C1 ZINC001107465983 758624716 /nfs/dbraw/zinc/62/47/16/758624716.db2.gz SBVWEPWCDFOYPQ-JZIMQPMSSA-N 1 1 344.419 0.542 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001077288411 758697217 /nfs/dbraw/zinc/69/72/17/758697217.db2.gz SDKOBDCLDWWZGW-GDBMZVCRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001077288411 758697223 /nfs/dbraw/zinc/69/72/23/758697223.db2.gz SDKOBDCLDWWZGW-GDBMZVCRSA-N 1 1 327.388 0.618 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001077601762 758699681 /nfs/dbraw/zinc/69/96/81/758699681.db2.gz QKDPLPOIFAJAQR-SJLPKXTDSA-N 1 1 325.412 0.905 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001077601762 758699687 /nfs/dbraw/zinc/69/96/87/758699687.db2.gz QKDPLPOIFAJAQR-SJLPKXTDSA-N 1 1 325.412 0.905 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001077321905 758792918 /nfs/dbraw/zinc/79/29/18/758792918.db2.gz SDYLSOFCKVOQCT-IAGOWNOFSA-N 1 1 331.416 0.674 20 30 ECEDMO C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001049484086 758793901 /nfs/dbraw/zinc/79/39/01/758793901.db2.gz DPVKTHSZCLJJOO-SJORKVTESA-N 1 1 329.448 0.757 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2O)C1 ZINC001049494334 758801791 /nfs/dbraw/zinc/80/17/91/758801791.db2.gz GUGVIHGUSGEHOA-GJZGRUSLSA-N 1 1 337.464 0.715 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](Cn1cccn1)N(C)C ZINC001049517306 758841516 /nfs/dbraw/zinc/84/15/16/758841516.db2.gz IKLIRQQRSIKXNL-KSZLIROESA-N 1 1 343.475 0.902 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)cc1F ZINC001014429550 762667383 /nfs/dbraw/zinc/66/73/83/762667383.db2.gz OKZIHWVKUQSVNO-CYBMUJFWSA-N 1 1 329.339 0.075 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)cc1F ZINC001014429550 762667385 /nfs/dbraw/zinc/66/73/85/762667385.db2.gz OKZIHWVKUQSVNO-CYBMUJFWSA-N 1 1 329.339 0.075 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001049543124 758899717 /nfs/dbraw/zinc/89/97/17/758899717.db2.gz UEAVAYDOXBFABO-PMPSAXMXSA-N 1 1 339.480 0.961 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001077358933 758903079 /nfs/dbraw/zinc/90/30/79/758903079.db2.gz NLYCDHFRNUILIA-NUEKZKHPSA-N 1 1 332.375 0.876 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001077358933 758903084 /nfs/dbraw/zinc/90/30/84/758903084.db2.gz NLYCDHFRNUILIA-NUEKZKHPSA-N 1 1 332.375 0.876 20 30 ECEDMO C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(C#N)n1)C1CCC1 ZINC001105692891 758911305 /nfs/dbraw/zinc/91/13/05/758911305.db2.gz BGWSRSODMFFLQP-DZGCQCFKSA-N 1 1 342.447 0.951 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001049560097 758922977 /nfs/dbraw/zinc/92/29/77/758922977.db2.gz OESTXPCHBHIHQE-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001077388126 758961018 /nfs/dbraw/zinc/96/10/18/758961018.db2.gz NOVVUVHPVIANRR-UKRRQHHQSA-N 1 1 328.372 0.141 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049596931 758976974 /nfs/dbraw/zinc/97/69/74/758976974.db2.gz XSOHZIUNBZCBLO-TWMKSMIVSA-N 1 1 347.459 0.888 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001049613697 758993969 /nfs/dbraw/zinc/99/39/69/758993969.db2.gz SZCHWWJNNFXPJI-BZUAXINKSA-N 1 1 327.432 0.847 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)S(C)(=O)=O ZINC001049767412 759180603 /nfs/dbraw/zinc/18/06/03/759180603.db2.gz GCEZBVJBXPHBPA-KBPBESRZSA-N 1 1 326.462 0.898 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)S(C)(=O)=O ZINC001049767412 759180605 /nfs/dbraw/zinc/18/06/05/759180605.db2.gz GCEZBVJBXPHBPA-KBPBESRZSA-N 1 1 326.462 0.898 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncn2nccc2c1=O ZINC001049768630 759183018 /nfs/dbraw/zinc/18/30/18/759183018.db2.gz KWVGXCMUHIOHTQ-UONOGXRCSA-N 1 1 342.403 0.142 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nnnc1C(C)C ZINC001049772351 759186938 /nfs/dbraw/zinc/18/69/38/759186938.db2.gz GBQVLTGIJCBGCA-LSDHHAIUSA-N 1 1 330.436 0.885 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H](C)O)nn1 ZINC001049776300 759190934 /nfs/dbraw/zinc/19/09/34/759190934.db2.gz IUXJVRIVJKMCFB-BMFZPTHFSA-N 1 1 333.436 0.914 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3C[C@H](C)O)nn1 ZINC001049776305 759191058 /nfs/dbraw/zinc/19/10/58/759191058.db2.gz IUXJVRIVJKMCFB-IMJJTQAJSA-N 1 1 333.436 0.914 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2ccnc2)nn1 ZINC001049783382 759200301 /nfs/dbraw/zinc/20/03/01/759200301.db2.gz OYNQEMFXQUTTFO-CVEARBPZSA-N 1 1 336.399 0.974 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049787508 759207314 /nfs/dbraw/zinc/20/73/14/759207314.db2.gz ITZYNLZFUJQJOA-GJZGRUSLSA-N 1 1 344.415 0.015 20 30 ECEDMO N#Cc1ccc(CN2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)s1 ZINC001030348566 762697448 /nfs/dbraw/zinc/69/74/48/762697448.db2.gz UYBIESMGMUMJEW-XJKSGUPXSA-N 1 1 346.456 0.783 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2coc(-c3ccccn3)n2)[C@@H](O)C1 ZINC001083603414 759249817 /nfs/dbraw/zinc/24/98/17/759249817.db2.gz VYLVPDMQQGNHCC-HIFRSBDPSA-N 1 1 326.356 0.535 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2coc(-c3ccccn3)n2)[C@@H](O)C1 ZINC001083603414 759249821 /nfs/dbraw/zinc/24/98/21/759249821.db2.gz VYLVPDMQQGNHCC-HIFRSBDPSA-N 1 1 326.356 0.535 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c(C)cc(C)nc1=O ZINC001049817354 759250275 /nfs/dbraw/zinc/25/02/75/759250275.db2.gz XYDPYQCETZMVIZ-IRXDYDNUSA-N 1 1 342.443 0.949 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049829154 759263588 /nfs/dbraw/zinc/26/35/88/759263588.db2.gz ANJKLMDUAZNWDO-KBPBESRZSA-N 1 1 332.404 0.017 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049842976 759287936 /nfs/dbraw/zinc/28/79/36/759287936.db2.gz ZHZBCHYATLBZJA-GHMZBOCLSA-N 1 1 332.360 0.209 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049850988 759301160 /nfs/dbraw/zinc/30/11/60/759301160.db2.gz VLHCWKWXATXKCE-ZIAGYGMSSA-N 1 1 340.387 0.120 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001049871620 759325316 /nfs/dbraw/zinc/32/53/16/759325316.db2.gz RJWSTCQDLGIURK-BBWFWOEESA-N 1 1 335.448 0.875 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001049872835 759326737 /nfs/dbraw/zinc/32/67/37/759326737.db2.gz ZUHDTYVJVXNOGJ-GVDBMIGSSA-N 1 1 333.432 0.322 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001047629573 759340635 /nfs/dbraw/zinc/34/06/35/759340635.db2.gz LYXRZFSXKXKGBY-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O ZINC001049886669 759349307 /nfs/dbraw/zinc/34/93/07/759349307.db2.gz SVKLAJMESHAISH-KGLIPLIRSA-N 1 1 334.420 0.522 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O ZINC001049886674 759349921 /nfs/dbraw/zinc/34/99/21/759349921.db2.gz SVKLAJMESHAISH-UONOGXRCSA-N 1 1 334.420 0.522 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1nc2ncccn2n1 ZINC001049890137 759354843 /nfs/dbraw/zinc/35/48/43/759354843.db2.gz KPVLPVKDTRNONB-LSDHHAIUSA-N 1 1 338.415 0.755 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001047633643 759355293 /nfs/dbraw/zinc/35/52/93/759355293.db2.gz FSLCAAAWXDGFRB-JYJNAYRXSA-N 1 1 332.375 0.656 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001047633643 759355308 /nfs/dbraw/zinc/35/53/08/759355308.db2.gz FSLCAAAWXDGFRB-JYJNAYRXSA-N 1 1 332.375 0.656 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(=O)n(CCC)n1 ZINC001049896550 759371491 /nfs/dbraw/zinc/37/14/91/759371491.db2.gz ZKPCEKQWODDHOH-HOTGVXAUSA-N 1 1 328.416 0.965 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001047638096 759372054 /nfs/dbraw/zinc/37/20/54/759372054.db2.gz BEDWYJPGJGWJPV-RDBSUJKOSA-N 1 1 347.381 0.540 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1nc(C2CC2)nn1C ZINC001049903760 759384330 /nfs/dbraw/zinc/38/43/30/759384330.db2.gz KJOINCMGTWUSPC-LSDHHAIUSA-N 1 1 327.432 0.934 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1nc(C2CC2)nn1C ZINC001049903757 759385253 /nfs/dbraw/zinc/38/52/53/759385253.db2.gz KJOINCMGTWUSPC-HUUCEWRRSA-N 1 1 327.432 0.934 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)COc1cccc(C(N)=O)c1 ZINC001049906952 759389784 /nfs/dbraw/zinc/38/97/84/759389784.db2.gz AZMILTQXLUHIFM-IAGOWNOFSA-N 1 1 341.411 0.863 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3C[C@H](C)O)CC1 ZINC001049918802 759403244 /nfs/dbraw/zinc/40/32/44/759403244.db2.gz MOTHSKUHJIXKCI-CGTJXYLNSA-N 1 1 333.476 0.778 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3C[C@H](C)O)CC1 ZINC001049918802 759403249 /nfs/dbraw/zinc/40/32/49/759403249.db2.gz MOTHSKUHJIXKCI-CGTJXYLNSA-N 1 1 333.476 0.778 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3c[nH]c(C(N)=O)c3)C2)c1 ZINC001032187851 759407168 /nfs/dbraw/zinc/40/71/68/759407168.db2.gz IJGXEBUPZNETBT-UHFFFAOYSA-N 1 1 337.383 0.847 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C(N)=O)n1 ZINC001049924467 759409496 /nfs/dbraw/zinc/40/94/96/759409496.db2.gz RSNJTXSXEFRUIM-HZPDHXFCSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C(N)=O)cn1 ZINC001049924045 759410097 /nfs/dbraw/zinc/41/00/97/759410097.db2.gz BICJEYQURNEDPI-CVEARBPZSA-N 1 1 326.400 0.883 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001054242066 767857300 /nfs/dbraw/zinc/85/73/00/767857300.db2.gz DWDCVFIEBMYCJD-HOCLYGCPSA-N 1 1 341.477 0.569 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)[C@@H](O)C1 ZINC001083617659 759429940 /nfs/dbraw/zinc/42/99/40/759429940.db2.gz WGODSFSXULEUKZ-WBVHZDCISA-N 1 1 327.384 0.879 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(C)c(=O)n1C)C2 ZINC001054245949 767861136 /nfs/dbraw/zinc/86/11/36/767861136.db2.gz IFWHNAOERVHZIK-GOSISDBHSA-N 1 1 330.432 0.675 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C(N)=O)cn1)C2 ZINC001054249302 767867847 /nfs/dbraw/zinc/86/78/47/767867847.db2.gz RHAFCKSXOFVCSW-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC001050007189 759542431 /nfs/dbraw/zinc/54/24/31/759542431.db2.gz ZYMGELRVJJJNSX-ZNMIVQPWSA-N 1 1 327.856 0.992 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC001050007189 759542436 /nfs/dbraw/zinc/54/24/36/759542436.db2.gz ZYMGELRVJJJNSX-ZNMIVQPWSA-N 1 1 327.856 0.992 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1csc(-c2ncccn2)n1 ZINC001127026890 759575618 /nfs/dbraw/zinc/57/56/18/759575618.db2.gz AVEYGGLZCWEUSC-UHFFFAOYSA-N 1 1 345.428 0.846 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(CCCCN2CC[NH+](CC)CC2)C1=O ZINC000348429623 759582405 /nfs/dbraw/zinc/58/24/05/759582405.db2.gz NILBWXUZOQMNJC-OAHLLOKOSA-N 1 1 338.452 0.527 20 30 ECEDMO COCCc1nc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC001047836063 759588848 /nfs/dbraw/zinc/58/88/48/759588848.db2.gz MTXPDEWKXVCEKU-UKRRQHHQSA-N 1 1 346.431 0.999 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 ZINC001050048674 759615462 /nfs/dbraw/zinc/61/54/62/759615462.db2.gz JOOBMGHDUHTCTR-UONOGXRCSA-N 1 1 331.416 0.328 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001047863732 759621340 /nfs/dbraw/zinc/62/13/40/759621340.db2.gz IORLKFDEDLTUHU-KGLIPLIRSA-N 1 1 343.435 0.838 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001050077639 759664410 /nfs/dbraw/zinc/66/44/10/759664410.db2.gz BZEQZOWMIUIEJA-SOUVJXGZSA-N 1 1 343.431 0.492 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)n1 ZINC001050096193 759693602 /nfs/dbraw/zinc/69/36/02/759693602.db2.gz OFCDCJJFUJBLQM-VHDGCEQUSA-N 1 1 328.420 0.834 20 30 ECEDMO Cc1ccc(C#N)c(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001125110275 759698892 /nfs/dbraw/zinc/69/88/92/759698892.db2.gz DQKIXOSCHBHARL-HZPDHXFCSA-N 1 1 345.447 0.469 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1C#N ZINC001125110581 759701252 /nfs/dbraw/zinc/70/12/52/759701252.db2.gz JGAXCAHTPPGXNV-HNNXBMFYSA-N 1 1 342.403 0.414 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)c(C)n1 ZINC001125132769 759793706 /nfs/dbraw/zinc/79/37/06/759793706.db2.gz HMJFZLXSARHPNC-MRXNPFEDSA-N 1 1 347.463 0.859 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001050143819 759795300 /nfs/dbraw/zinc/79/53/00/759795300.db2.gz GZYBUZLBVKTHCL-SVGFKBNWSA-N 1 1 345.447 0.829 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001050143819 759795310 /nfs/dbraw/zinc/79/53/10/759795310.db2.gz GZYBUZLBVKTHCL-SVGFKBNWSA-N 1 1 345.447 0.829 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccn4c(=O)[nH]nc34)[C@@H]2C1 ZINC001050181556 759886347 /nfs/dbraw/zinc/88/63/47/759886347.db2.gz VZCDBVZPOUIOLU-GXTWGEPZSA-N 1 1 325.372 0.605 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccnc4nc(C)nn43)[C@@H]2C1 ZINC001050181503 759886613 /nfs/dbraw/zinc/88/66/13/759886613.db2.gz SPXNHDRQYBNQIW-GOEBONIOSA-N 1 1 338.415 0.992 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4n[nH]nc4C3)[C@@H]2C1 ZINC001050183117 759888804 /nfs/dbraw/zinc/88/88/04/759888804.db2.gz PJOPICBAMPQFMU-GRDNDAEWSA-N 1 1 327.432 0.856 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)cn1 ZINC001050185373 759897097 /nfs/dbraw/zinc/89/70/97/759897097.db2.gz AFFGYTUPRUSNIN-BHYGNILZSA-N 1 1 338.411 0.488 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054291688 767899527 /nfs/dbraw/zinc/89/95/27/767899527.db2.gz CBBBWKASJBTEMH-MRXNPFEDSA-N 1 1 347.440 0.333 20 30 ECEDMO Cc1nsc(NC/C=C\CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001107093813 759899007 /nfs/dbraw/zinc/89/90/07/759899007.db2.gz OFAIZDPOFMTBKI-SCOBNMCVSA-N 1 1 335.433 0.738 20 30 ECEDMO Cc1nsc(NC/C=C\CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001107093813 759899016 /nfs/dbraw/zinc/89/90/16/759899016.db2.gz OFAIZDPOFMTBKI-SCOBNMCVSA-N 1 1 335.433 0.738 20 30 ECEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054291688 767899537 /nfs/dbraw/zinc/89/95/37/767899537.db2.gz CBBBWKASJBTEMH-MRXNPFEDSA-N 1 1 347.440 0.333 20 30 ECEDMO C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054291958 767900245 /nfs/dbraw/zinc/90/02/45/767900245.db2.gz MGBMOEFGYBKZLJ-MRXNPFEDSA-N 1 1 349.456 0.886 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 ZINC001050198180 759920112 /nfs/dbraw/zinc/92/01/12/759920112.db2.gz CLLWJDCFEDTOBA-JKSUJKDBSA-N 1 1 332.448 0.723 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050204992 759938947 /nfs/dbraw/zinc/93/89/47/759938947.db2.gz UZKBYJNDIKWELZ-SOUVJXGZSA-N 1 1 341.477 0.567 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(CC(=O)N(C)C)nn3)[C@@H]2C1 ZINC001050208899 759943610 /nfs/dbraw/zinc/94/36/10/759943610.db2.gz UORXFILTTGFGIO-DZGCQCFKSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001050219866 759960238 /nfs/dbraw/zinc/96/02/38/759960238.db2.gz GQAOASBLAZPYDP-CABCVRRESA-N 1 1 345.447 0.947 20 30 ECEDMO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](CNc2ccnc(C#N)n2)C1 ZINC001048176013 760032917 /nfs/dbraw/zinc/03/29/17/760032917.db2.gz HMKAPRVGTHAVMG-KFWWJZLASA-N 1 1 342.447 0.761 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccccn2)C1=O ZINC001032248511 760038351 /nfs/dbraw/zinc/03/83/51/760038351.db2.gz IAGGWELUYLKQDQ-DZKIICNBSA-N 1 1 326.400 0.767 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccccn2)C1=O ZINC001032248511 760038360 /nfs/dbraw/zinc/03/83/60/760038360.db2.gz IAGGWELUYLKQDQ-DZKIICNBSA-N 1 1 326.400 0.767 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)[C@@H]2C)C1 ZINC001050347275 760157431 /nfs/dbraw/zinc/15/74/31/760157431.db2.gz ZABYREJOGMAAAC-RDBSUJKOSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)[C@@H]2C)C1 ZINC001050347275 760157436 /nfs/dbraw/zinc/15/74/36/760157436.db2.gz ZABYREJOGMAAAC-RDBSUJKOSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cc(C)ccc3O2)[C@@H](O)C1 ZINC001083641987 760207823 /nfs/dbraw/zinc/20/78/23/760207823.db2.gz KXJVPWKJDPUOIA-SOLBZPMBSA-N 1 1 328.412 0.873 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083645604 760338594 /nfs/dbraw/zinc/33/85/94/760338594.db2.gz JAMUGTXRLDPAGR-SJORKVTESA-N 1 1 339.399 0.425 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3nnn(C)n3)C2)c1 ZINC001048384494 760411596 /nfs/dbraw/zinc/41/15/96/760411596.db2.gz WOJWYZHHFAZXPC-WFASDCNBSA-N 1 1 339.403 0.084 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC001127046055 760453024 /nfs/dbraw/zinc/45/30/24/760453024.db2.gz KTWIQQNGCSLNJT-GFCCVEGCSA-N 1 1 331.420 0.735 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2c(C)nc(CC)nc2C)[C@@H](O)C1 ZINC001083653075 760588945 /nfs/dbraw/zinc/58/89/45/760588945.db2.gz UFTXMLWOGQQCEJ-CVEARBPZSA-N 1 1 332.448 0.936 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@@H](CNCc3cnon3)C2)CC1 ZINC001048479360 760593272 /nfs/dbraw/zinc/59/32/72/760593272.db2.gz MQBJFYOGGYLKHD-HOCLYGCPSA-N 1 1 345.447 0.599 20 30 ECEDMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C2 ZINC001048515278 760645295 /nfs/dbraw/zinc/64/52/95/760645295.db2.gz WNIYCMBVFYIESQ-VIRABCJISA-N 1 1 343.431 0.994 20 30 ECEDMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C2 ZINC001048516791 760647551 /nfs/dbraw/zinc/64/75/51/760647551.db2.gz UQEVYZNJNDLCLK-SHHSBJBSSA-N 1 1 329.404 0.605 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050680427 760659589 /nfs/dbraw/zinc/65/95/89/760659589.db2.gz RZTFVMIERSPOEJ-GDBMZVCRSA-N 1 1 328.416 0.958 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2occc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001083723356 767970885 /nfs/dbraw/zinc/97/08/85/767970885.db2.gz GTIXAFBHXFDHCR-CABCVRRESA-N 1 1 328.372 0.478 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O)C2 ZINC001048549817 760698101 /nfs/dbraw/zinc/69/81/01/760698101.db2.gz FFIVEKGLJSKLCV-FLXSYLCISA-N 1 1 347.459 0.615 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3nnn(C)c3C1)C2 ZINC001048557154 760712060 /nfs/dbraw/zinc/71/20/60/760712060.db2.gz ILKTUQIWMWXZGF-JONQDZQNSA-N 1 1 341.459 0.912 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)C3(S(C)(=O)=O)CCC3)C2)CC1 ZINC001050713751 760717012 /nfs/dbraw/zinc/71/70/12/760717012.db2.gz DBWVEAANAICSBK-UHFFFAOYSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001050734474 760753656 /nfs/dbraw/zinc/75/36/56/760753656.db2.gz AQTKXOZHKJDTCX-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(=O)n3[nH]cnc3n1)C2 ZINC001048582956 760753771 /nfs/dbraw/zinc/75/37/71/760753771.db2.gz ZKUZEEUPLKAIJJ-CLLJXQQHSA-N 1 1 342.403 0.576 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C2 ZINC001048588223 760760778 /nfs/dbraw/zinc/76/07/78/760760778.db2.gz OGQZMPQTGFAWOB-QDMKHBRRSA-N 1 1 328.416 0.776 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)[C@@H](O)C1 ZINC001083662754 760762263 /nfs/dbraw/zinc/76/22/63/760762263.db2.gz IDLQZPFJCMDECF-ZNMIVQPWSA-N 1 1 333.436 0.276 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cnccn4)C[C@H]3C2)C1=O ZINC001048652947 760858356 /nfs/dbraw/zinc/85/83/56/760858356.db2.gz XFBMQQHCLOSYNE-IJEWVQPXSA-N 1 1 341.415 0.267 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCO4)C[C@H]3C2)C1=O ZINC001048666963 760900384 /nfs/dbraw/zinc/90/03/84/760900384.db2.gz SLFHLMVKYAOCCE-FZKCQIBNSA-N 1 1 333.432 0.343 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C[C@H]4CCCO4)C[C@H]3C2)C1=O ZINC001048695065 760957246 /nfs/dbraw/zinc/95/72/46/760957246.db2.gz FJTWKNSWUYZLAF-TWMKSMIVSA-N 1 1 347.459 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3C2)C1=O ZINC001048722221 761035514 /nfs/dbraw/zinc/03/55/14/761035514.db2.gz CRSYRCOSDBMOGW-VNHYZAJKSA-N 1 1 346.456 0.934 20 30 ECEDMO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n(C)n1 ZINC001048724568 761047490 /nfs/dbraw/zinc/04/74/90/761047490.db2.gz BRQXFEMFPZLYNL-BNOWGMLFSA-N 1 1 344.419 0.217 20 30 ECEDMO Cc1cc(NC(=O)C[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n(C)n1 ZINC001048724568 761047498 /nfs/dbraw/zinc/04/74/98/761047498.db2.gz BRQXFEMFPZLYNL-BNOWGMLFSA-N 1 1 344.419 0.217 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)C[C@@H]3C2)c1 ZINC001048749573 761107612 /nfs/dbraw/zinc/10/76/12/761107612.db2.gz HSAJVSDQFASLJM-GASCZTMLSA-N 1 1 341.415 0.513 20 30 ECEDMO Cc1noc(C[N@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)n1 ZINC001048750230 761109748 /nfs/dbraw/zinc/10/97/48/761109748.db2.gz UVZPFIUMNWEZSD-BETUJISGSA-N 1 1 326.360 0.782 20 30 ECEDMO Cc1noc(C[N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)n1 ZINC001048750230 761109749 /nfs/dbraw/zinc/10/97/49/761109749.db2.gz UVZPFIUMNWEZSD-BETUJISGSA-N 1 1 326.360 0.782 20 30 ECEDMO C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001050949323 761197797 /nfs/dbraw/zinc/19/77/97/761197797.db2.gz DYEGBHNEEXAEBA-CABCVRRESA-N 1 1 325.453 0.882 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC ZINC001212146012 761201839 /nfs/dbraw/zinc/20/18/39/761201839.db2.gz HALGNZRLFWQHFZ-HZPDHXFCSA-N 1 1 326.437 0.658 20 30 ECEDMO C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001050954344 761213608 /nfs/dbraw/zinc/21/36/08/761213608.db2.gz VNJOPGPJQIHZHL-DLBZAZTESA-N 1 1 337.464 0.633 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1ccon1 ZINC001050962056 761230470 /nfs/dbraw/zinc/23/04/70/761230470.db2.gz DRFCODRARFWIBC-HOTGVXAUSA-N 1 1 332.404 0.089 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1ccon1 ZINC001050962056 761230473 /nfs/dbraw/zinc/23/04/73/761230473.db2.gz DRFCODRARFWIBC-HOTGVXAUSA-N 1 1 332.404 0.089 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1nccs1 ZINC001050962037 761230539 /nfs/dbraw/zinc/23/05/39/761230539.db2.gz DDHDMAVWKRJQQL-CABCVRRESA-N 1 1 348.472 0.558 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1nccs1 ZINC001050962037 761230541 /nfs/dbraw/zinc/23/05/41/761230541.db2.gz DDHDMAVWKRJQQL-CABCVRRESA-N 1 1 348.472 0.558 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1OC ZINC001212148087 761243444 /nfs/dbraw/zinc/24/34/44/761243444.db2.gz AQRQEZLEHACUNR-HUUCEWRRSA-N 1 1 349.431 0.144 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1OC ZINC001212148087 761243449 /nfs/dbraw/zinc/24/34/49/761243449.db2.gz AQRQEZLEHACUNR-HUUCEWRRSA-N 1 1 349.431 0.144 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)C(=O)NCC(F)F)CC2)C1 ZINC001105714406 761254132 /nfs/dbraw/zinc/25/41/32/761254132.db2.gz XRQBSLSVDUTENW-UHFFFAOYSA-N 1 1 343.374 0.083 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H](C)OC)C[C@@]2(C)C1 ZINC000993071018 768017892 /nfs/dbraw/zinc/01/78/92/768017892.db2.gz TWLBTDSHLUHCET-JEWRLFTDSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H](C)OC)C[C@@]2(C)C1 ZINC000993071018 768017896 /nfs/dbraw/zinc/01/78/96/768017896.db2.gz TWLBTDSHLUHCET-JEWRLFTDSA-N 1 1 347.459 0.426 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001051011134 761331759 /nfs/dbraw/zinc/33/17/59/761331759.db2.gz HFGZFOWDPVBTLK-LSDHHAIUSA-N 1 1 338.452 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001051011134 761331769 /nfs/dbraw/zinc/33/17/69/761331769.db2.gz HFGZFOWDPVBTLK-LSDHHAIUSA-N 1 1 338.452 0.560 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C ZINC001051027581 761360423 /nfs/dbraw/zinc/36/04/23/761360423.db2.gz XJWNDDWSTMRHMB-MCIONIFRSA-N 1 1 328.420 0.916 20 30 ECEDMO C=C(C)CCN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051030403 761366195 /nfs/dbraw/zinc/36/61/95/761366195.db2.gz YZUGOKARPUUNAE-VIHIWDAPSA-N 1 1 349.475 0.633 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CCCn3cncn3)CC2)C1 ZINC001105730706 761380563 /nfs/dbraw/zinc/38/05/63/761380563.db2.gz UUXGXNMEUDHXRA-UHFFFAOYSA-N 1 1 345.447 0.773 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)nn1 ZINC001054533697 768033335 /nfs/dbraw/zinc/03/33/35/768033335.db2.gz SFKNLHBWYWLLEH-XHDPSFHLSA-N 1 1 327.392 0.748 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001051125207 761526184 /nfs/dbraw/zinc/52/61/84/761526184.db2.gz PBQAYVJOADSIOC-HUUCEWRRSA-N 1 1 348.451 0.409 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001051125207 761526188 /nfs/dbraw/zinc/52/61/88/761526188.db2.gz PBQAYVJOADSIOC-HUUCEWRRSA-N 1 1 348.451 0.409 20 30 ECEDMO C#CCN1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001051126188 761527736 /nfs/dbraw/zinc/52/77/36/761527736.db2.gz DDVVCOHUPYLUPG-QRVBRYPASA-N 1 1 341.455 0.782 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001054571648 768045922 /nfs/dbraw/zinc/04/59/22/768045922.db2.gz LLVKHRYRFQZZRM-SMDDNHRTSA-N 1 1 342.407 0.704 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001054572208 768045964 /nfs/dbraw/zinc/04/59/64/768045964.db2.gz MIHJOKXOXWJFQY-BXUZGUMPSA-N 1 1 327.392 0.748 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001054587523 768055254 /nfs/dbraw/zinc/05/52/54/768055254.db2.gz LRNUGKLLMYWWKY-BXUZGUMPSA-N 1 1 345.382 0.698 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(S(N)(=O)=O)o3)CCC[C@@H]12 ZINC000991568398 761673044 /nfs/dbraw/zinc/67/30/44/761673044.db2.gz NWHDIMCKKLCVKS-IUODEOHRSA-N 1 1 337.401 0.287 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1c1nccnc1C#N ZINC001051231532 761728317 /nfs/dbraw/zinc/72/83/17/761728317.db2.gz ZSPOJVAWZPIUQD-VNHYZAJKSA-N 1 1 328.420 0.916 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001051249475 761761928 /nfs/dbraw/zinc/76/19/28/761761928.db2.gz GEKRGOCXDHHHAC-HZPDHXFCSA-N 1 1 339.436 0.017 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001051249475 761761930 /nfs/dbraw/zinc/76/19/30/761761930.db2.gz GEKRGOCXDHHHAC-HZPDHXFCSA-N 1 1 339.436 0.017 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001051249473 761762034 /nfs/dbraw/zinc/76/20/34/761762034.db2.gz GEKRGOCXDHHHAC-CVEARBPZSA-N 1 1 339.436 0.017 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001051249473 761762036 /nfs/dbraw/zinc/76/20/36/761762036.db2.gz GEKRGOCXDHHHAC-CVEARBPZSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001051314625 761874650 /nfs/dbraw/zinc/87/46/50/761874650.db2.gz PIDJZZSBQPSHKR-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001014457442 762713387 /nfs/dbraw/zinc/71/33/87/762713387.db2.gz GZQOAQICTYNOFM-BMFZPTHFSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001014457442 762713390 /nfs/dbraw/zinc/71/33/90/762713390.db2.gz GZQOAQICTYNOFM-BMFZPTHFSA-N 1 1 335.448 0.779 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001106294983 768092078 /nfs/dbraw/zinc/09/20/78/768092078.db2.gz WKLFSMOJYGTKKC-RISCZKNCSA-N 1 1 332.408 0.294 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001106294983 768092086 /nfs/dbraw/zinc/09/20/86/768092086.db2.gz WKLFSMOJYGTKKC-RISCZKNCSA-N 1 1 332.408 0.294 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(OCC(N)=O)cc3)CCC[C@@H]12 ZINC000991715330 762911011 /nfs/dbraw/zinc/91/10/11/762911011.db2.gz YFEWQNWLGWYKRG-APWZRJJASA-N 1 1 341.411 0.911 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1C ZINC001105946454 762997557 /nfs/dbraw/zinc/99/75/57/762997557.db2.gz UMGOUDZWBUZARQ-MBNYWOFBSA-N 1 1 331.420 0.154 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C(C)C)C2)C1 ZINC001051814333 763029464 /nfs/dbraw/zinc/02/94/64/763029464.db2.gz CPSMXIWICWIISY-CQSZACIVSA-N 1 1 348.451 0.927 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN3CCOCC3=O)C2)s1 ZINC001014738817 763064527 /nfs/dbraw/zinc/06/45/27/763064527.db2.gz AVCMMMDLKGLKPL-LBPRGKRZSA-N 1 1 348.428 0.169 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCOCC3=O)C2)s1 ZINC001014738817 763064531 /nfs/dbraw/zinc/06/45/31/763064531.db2.gz AVCMMMDLKGLKPL-LBPRGKRZSA-N 1 1 348.428 0.169 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001046782924 763120286 /nfs/dbraw/zinc/12/02/86/763120286.db2.gz HBFLPRSHYWLOHO-SFHVURJKSA-N 1 1 325.368 0.788 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001014774390 763133728 /nfs/dbraw/zinc/13/37/28/763133728.db2.gz DFMZMOPQCQIXLX-RDJZCZTQSA-N 1 1 329.448 0.251 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncc(C)o3)C2)nn1 ZINC001051860757 763137572 /nfs/dbraw/zinc/13/75/72/763137572.db2.gz PVUICNWMXGQRLY-ZDUSSCGKSA-N 1 1 346.391 0.391 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)C1=O ZINC001031864683 763142229 /nfs/dbraw/zinc/14/22/29/763142229.db2.gz NXHSOCOUTJWDRP-IKGGRYGDSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)CC1CC1)C[C@H](C)O2 ZINC001111531674 763182412 /nfs/dbraw/zinc/18/24/12/763182412.db2.gz GTQMBPCUXOQUHQ-HNNXBMFYSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)COc2cnn(C)c2)C1 ZINC001089852934 763184040 /nfs/dbraw/zinc/18/40/40/763184040.db2.gz MOTIOMQEKLPEHL-DKIMLUQUSA-N 1 1 342.443 0.991 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(C)nc3CC)C2)C1=O ZINC001014840477 763285417 /nfs/dbraw/zinc/28/54/17/763285417.db2.gz FSLBFGUQMKRBOZ-CJNGLKHVSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cn(C)nc3CC)C2)C1=O ZINC001014840477 763285428 /nfs/dbraw/zinc/28/54/28/763285428.db2.gz FSLBFGUQMKRBOZ-CJNGLKHVSA-N 1 1 345.447 0.574 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089858945 763287897 /nfs/dbraw/zinc/28/78/97/763287897.db2.gz NEDLWGCPCOURLT-USZNOCQGSA-N 1 1 342.237 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3coc(C)n3)C2)cn1 ZINC001051906960 763298915 /nfs/dbraw/zinc/29/89/15/763298915.db2.gz UBGIUTPXRHZLES-KRWDZBQOSA-N 1 1 340.383 0.990 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncc(C)o3)C2)cn1 ZINC001051909793 763306050 /nfs/dbraw/zinc/30/60/50/763306050.db2.gz YZRLZJRYEMDVLL-MRXNPFEDSA-N 1 1 340.383 0.990 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001106921273 763346059 /nfs/dbraw/zinc/34/60/59/763346059.db2.gz BQXPJAUGLRAANU-OAHLLOKOSA-N 1 1 346.435 0.718 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001106921273 763346067 /nfs/dbraw/zinc/34/60/67/763346067.db2.gz BQXPJAUGLRAANU-OAHLLOKOSA-N 1 1 346.435 0.718 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046927355 763401622 /nfs/dbraw/zinc/40/16/22/763401622.db2.gz YCFWYSHYNNNANW-KGLIPLIRSA-N 1 1 331.407 0.967 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001046935712 763417913 /nfs/dbraw/zinc/41/79/13/763417913.db2.gz QNBFHGPGURBXKP-AWEZNQCLSA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001046935712 763417914 /nfs/dbraw/zinc/41/79/14/763417914.db2.gz QNBFHGPGURBXKP-AWEZNQCLSA-N 1 1 327.375 0.561 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC(Nc2ccnc(C#N)n2)C1 ZINC001051948614 763421317 /nfs/dbraw/zinc/42/13/17/763421317.db2.gz WFVIYMOTCDNNNY-NRXISQOPSA-N 1 1 342.447 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001046942827 763430587 /nfs/dbraw/zinc/43/05/87/763430587.db2.gz CILALQLDTRPLML-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001046942827 763430590 /nfs/dbraw/zinc/43/05/90/763430590.db2.gz CILALQLDTRPLML-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001046946724 763437812 /nfs/dbraw/zinc/43/78/12/763437812.db2.gz YCSRPUSBFSFSAC-KBPBESRZSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001046946724 763437816 /nfs/dbraw/zinc/43/78/16/763437816.db2.gz YCSRPUSBFSFSAC-KBPBESRZSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046947954 763439173 /nfs/dbraw/zinc/43/91/73/763439173.db2.gz AAWRTZRQDIEAJE-HZSPNIEDSA-N 1 1 329.391 0.412 20 30 ECEDMO C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046947954 763439176 /nfs/dbraw/zinc/43/91/76/763439176.db2.gz AAWRTZRQDIEAJE-HZSPNIEDSA-N 1 1 329.391 0.412 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)Nc2ccccc2)C1 ZINC001030462415 763439645 /nfs/dbraw/zinc/43/96/45/763439645.db2.gz WDCBKWWEWVYRKR-KRWDZBQOSA-N 1 1 340.427 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)Nc2ccccc2)C1 ZINC001030462415 763439653 /nfs/dbraw/zinc/43/96/53/763439653.db2.gz WDCBKWWEWVYRKR-KRWDZBQOSA-N 1 1 340.427 0.523 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CCOc2ccccc2)C1 ZINC001030463780 763446774 /nfs/dbraw/zinc/44/67/74/763446774.db2.gz VYMNJHCTLIRHOS-SFHVURJKSA-N 1 1 327.428 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCOc2ccccc2)C1 ZINC001030463780 763446777 /nfs/dbraw/zinc/44/67/77/763446777.db2.gz VYMNJHCTLIRHOS-SFHVURJKSA-N 1 1 327.428 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CCn2cc(Cl)cn2)C1 ZINC001030464031 763456283 /nfs/dbraw/zinc/45/62/83/763456283.db2.gz FIGRTYWZALYANV-HNNXBMFYSA-N 1 1 335.839 0.435 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCn2cc(Cl)cn2)C1 ZINC001030464031 763456288 /nfs/dbraw/zinc/45/62/88/763456288.db2.gz FIGRTYWZALYANV-HNNXBMFYSA-N 1 1 335.839 0.435 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CCc2scnc2C)C1 ZINC001030464487 763458587 /nfs/dbraw/zinc/45/85/87/763458587.db2.gz WKQNNRMQWQJHMB-HNNXBMFYSA-N 1 1 332.473 0.892 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCc2scnc2C)C1 ZINC001030464487 763458592 /nfs/dbraw/zinc/45/85/92/763458592.db2.gz WKQNNRMQWQJHMB-HNNXBMFYSA-N 1 1 332.473 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nnc(C)s2)C1 ZINC001030464454 763458611 /nfs/dbraw/zinc/45/86/11/763458611.db2.gz ULBWVPGQIZOGSM-FZMZJTMJSA-N 1 1 333.461 0.806 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nnc(C)s2)C1 ZINC001030464454 763458615 /nfs/dbraw/zinc/45/86/15/763458615.db2.gz ULBWVPGQIZOGSM-FZMZJTMJSA-N 1 1 333.461 0.806 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001105994604 763467875 /nfs/dbraw/zinc/46/78/75/763467875.db2.gz DAAPXZXHZHPNFP-HUUCEWRRSA-N 1 1 346.435 0.500 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001046961503 763469190 /nfs/dbraw/zinc/46/91/90/763469190.db2.gz WMFPGOGIDCUSIC-ZIAGYGMSSA-N 1 1 341.402 0.999 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001046961503 763469197 /nfs/dbraw/zinc/46/91/97/763469197.db2.gz WMFPGOGIDCUSIC-ZIAGYGMSSA-N 1 1 341.402 0.999 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)CC1 ZINC001051977366 763496713 /nfs/dbraw/zinc/49/67/13/763496713.db2.gz UXWCEARWXWUVCF-KRWDZBQOSA-N 1 1 328.416 0.175 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1=O ZINC001030473124 763521304 /nfs/dbraw/zinc/52/13/04/763521304.db2.gz HOAVSDLMOWWOIZ-UMVBOHGHSA-N 1 1 329.404 0.101 20 30 ECEDMO CN1CC[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1=O ZINC001031910240 763525279 /nfs/dbraw/zinc/52/52/79/763525279.db2.gz KECDHNHHHVOYAP-MRXNPFEDSA-N 1 1 326.400 0.585 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001046993260 763529907 /nfs/dbraw/zinc/52/99/07/763529907.db2.gz BUFFWGLYSNDAFZ-ZDUSSCGKSA-N 1 1 336.342 0.501 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001046993260 763529910 /nfs/dbraw/zinc/52/99/10/763529910.db2.gz BUFFWGLYSNDAFZ-ZDUSSCGKSA-N 1 1 336.342 0.501 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046994603 763532204 /nfs/dbraw/zinc/53/22/04/763532204.db2.gz KDDSKEYLYULIAV-NSHDSACASA-N 1 1 326.347 0.044 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046994603 763532214 /nfs/dbraw/zinc/53/22/14/763532214.db2.gz KDDSKEYLYULIAV-NSHDSACASA-N 1 1 326.347 0.044 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001046995241 763533889 /nfs/dbraw/zinc/53/38/89/763533889.db2.gz OIKBSRRCKFQEKU-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001046996057 763536099 /nfs/dbraw/zinc/53/60/99/763536099.db2.gz SFJXFSPZZADZOK-UONOGXRCSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001046996057 763536105 /nfs/dbraw/zinc/53/61/05/763536105.db2.gz SFJXFSPZZADZOK-UONOGXRCSA-N 1 1 327.375 0.704 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccncc2C#N)C1 ZINC001047022925 763563537 /nfs/dbraw/zinc/56/35/37/763563537.db2.gz IOWXDFJFHSBEHB-SDADXPQNSA-N 1 1 327.432 0.880 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnnc(C)c3)C2)CC1 ZINC001052020613 763602571 /nfs/dbraw/zinc/60/25/71/763602571.db2.gz IOUSQRZSBBRYHK-KRWDZBQOSA-N 1 1 327.432 0.640 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)C1 ZINC001106003904 763609422 /nfs/dbraw/zinc/60/94/22/763609422.db2.gz KAAUCURPAVRNSI-HOTGVXAUSA-N 1 1 345.447 0.820 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)C2)CC1 ZINC001052027523 763622192 /nfs/dbraw/zinc/62/21/92/763622192.db2.gz GYSWEAZHOYLZGJ-CVEARBPZSA-N 1 1 341.459 0.681 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)C2)CC1 ZINC001052028090 763623661 /nfs/dbraw/zinc/62/36/61/763623661.db2.gz NWEXNEYYRLNCEJ-JKSUJKDBSA-N 1 1 342.447 0.572 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030415 763629345 /nfs/dbraw/zinc/62/93/45/763629345.db2.gz NRKJRENWQOCHHM-HZPDHXFCSA-N 1 1 329.448 0.375 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)C2)CC1 ZINC001052032406 763634798 /nfs/dbraw/zinc/63/47/98/763634798.db2.gz GRCOHPNELJMKCR-WMZOPIPTSA-N 1 1 343.475 0.679 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035869 763644846 /nfs/dbraw/zinc/64/48/46/763644846.db2.gz SDOHGDURUPVICN-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052036325 763647533 /nfs/dbraw/zinc/64/75/33/763647533.db2.gz LKCIRESOOIZIOG-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052036325 763647540 /nfs/dbraw/zinc/64/75/40/763647540.db2.gz LKCIRESOOIZIOG-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)COc3cc(C)on3)C2)CC1 ZINC001052037587 763655038 /nfs/dbraw/zinc/65/50/38/763655038.db2.gz OAJHDOWAQATBRB-INIZCTEOSA-N 1 1 346.431 0.604 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052040158 763661052 /nfs/dbraw/zinc/66/10/52/763661052.db2.gz AEONRZQSVSZKDB-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052040158 763661055 /nfs/dbraw/zinc/66/10/55/763661055.db2.gz AEONRZQSVSZKDB-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C2)CC1 ZINC001052040365 763661610 /nfs/dbraw/zinc/66/16/10/763661610.db2.gz DPBLAJDVWRRXPO-QGZVFWFLSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001052040479 763662426 /nfs/dbraw/zinc/66/24/26/763662426.db2.gz AWOAQPIYOPNUAV-QZTJIDSGSA-N 1 1 332.492 0.713 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052042338 763671177 /nfs/dbraw/zinc/67/11/77/763671177.db2.gz AYJIJKLEUYTZMA-LPHOPBHVSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001212185565 763685308 /nfs/dbraw/zinc/68/53/08/763685308.db2.gz XEGHBOZFTBUHSI-BZUAXINKSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001212185565 763685318 /nfs/dbraw/zinc/68/53/18/763685318.db2.gz XEGHBOZFTBUHSI-BZUAXINKSA-N 1 1 337.464 0.862 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052051626 763711271 /nfs/dbraw/zinc/71/12/71/763711271.db2.gz BTJZCEPGYPFCLX-KRWDZBQOSA-N 1 1 342.443 0.572 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)CC1 ZINC001052054022 763719692 /nfs/dbraw/zinc/71/96/92/763719692.db2.gz WKHWLTPZELYALN-SCTDSRPQSA-N 1 1 331.460 0.797 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)ccc1F ZINC001015040843 763730503 /nfs/dbraw/zinc/73/05/03/763730503.db2.gz BNLAOGURVFPMAS-ZFWWWQNUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)ccc1F ZINC001015040843 763730509 /nfs/dbraw/zinc/73/05/09/763730509.db2.gz BNLAOGURVFPMAS-ZFWWWQNUSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)cc(C)[nH]c3=O)C2)CC1 ZINC001052059943 763738501 /nfs/dbraw/zinc/73/85/01/763738501.db2.gz UCUABVDRONBKGY-MRXNPFEDSA-N 1 1 342.443 0.869 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(OC)ccn3)C2)CC1 ZINC001052061479 763744092 /nfs/dbraw/zinc/74/40/92/763744092.db2.gz ZAGWRSZTFWIZCH-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCc4cccnc43)C2)CC1 ZINC001052069029 763764900 /nfs/dbraw/zinc/76/49/00/763764900.db2.gz PAZOREXVMAEPIO-SJORKVTESA-N 1 1 339.443 0.853 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)c3cncnc3)C2)CC1 ZINC001052070009 763767224 /nfs/dbraw/zinc/76/72/24/763767224.db2.gz ATANYZVGIQEMAH-NVXWUHKLSA-N 1 1 327.432 0.432 20 30 ECEDMO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)c1cncnc1 ZINC001052071055 763770828 /nfs/dbraw/zinc/77/08/28/763770828.db2.gz OXVKSLKGPDHSOZ-GOEBONIOSA-N 1 1 328.420 0.322 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C(N)=O)co3)C2)CC1 ZINC001052079231 763792240 /nfs/dbraw/zinc/79/22/40/763792240.db2.gz GPOWNPCMOKMYIK-CQSZACIVSA-N 1 1 332.404 0.397 20 30 ECEDMO Cc1cc(CCC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)no1 ZINC001052079522 763793669 /nfs/dbraw/zinc/79/36/69/763793669.db2.gz BXIHDWYEAKISEJ-MRXNPFEDSA-N 1 1 331.420 0.658 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)CC1 ZINC001052086397 763813781 /nfs/dbraw/zinc/81/37/81/763813781.db2.gz SYRXOWMKPOISKO-GVDBMIGSSA-N 1 1 341.459 0.375 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N ZINC001106026549 763865529 /nfs/dbraw/zinc/86/55/29/763865529.db2.gz KKAPLTHCRNESIY-CQSZACIVSA-N 1 1 328.376 0.356 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(C(F)F)c3)C2)CC1 ZINC001052102607 763866095 /nfs/dbraw/zinc/86/60/95/763866095.db2.gz FNZLNSWPPXWQPB-AWEZNQCLSA-N 1 1 337.374 0.744 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)CC1 ZINC001052103742 763870619 /nfs/dbraw/zinc/87/06/19/763870619.db2.gz UEJKPTQOZFKXIU-WMZOPIPTSA-N 1 1 343.475 0.450 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(OC)nn3)C2)CC1 ZINC001052105192 763875984 /nfs/dbraw/zinc/87/59/84/763875984.db2.gz HRAHKRIMCMUERK-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C2)CC1 ZINC001052106765 763884264 /nfs/dbraw/zinc/88/42/64/763884264.db2.gz TXAGPONKZGUDJS-OAHLLOKOSA-N 1 1 327.432 0.859 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052107263 763885272 /nfs/dbraw/zinc/88/52/72/763885272.db2.gz CNICCVIYETXHFJ-KRWDZBQOSA-N 1 1 330.476 0.324 20 30 ECEDMO CN(C(=O)c1cnccn1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047286324 763888070 /nfs/dbraw/zinc/88/80/70/763888070.db2.gz MPBQZQOJNTZRMZ-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)c1cnccn1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047286324 763888081 /nfs/dbraw/zinc/88/80/81/763888081.db2.gz MPBQZQOJNTZRMZ-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO CC#CCN1CCN([C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107969 763888710 /nfs/dbraw/zinc/88/87/10/763888710.db2.gz JFNDZXBRYMEJSN-MSOLQXFVSA-N 1 1 332.492 0.570 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC001052109640 763895946 /nfs/dbraw/zinc/89/59/46/763895946.db2.gz DZVLNJQZWDGGTC-HNNXBMFYSA-N 1 1 330.432 0.403 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC001052109640 763895947 /nfs/dbraw/zinc/89/59/47/763895947.db2.gz DZVLNJQZWDGGTC-HNNXBMFYSA-N 1 1 330.432 0.403 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)cn1 ZINC000995178949 763906129 /nfs/dbraw/zinc/90/61/29/763906129.db2.gz ZMALKVICHYHOGT-DOMZBBRYSA-N 1 1 339.403 0.275 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)cn2)C1 ZINC001106345095 768173817 /nfs/dbraw/zinc/17/38/17/768173817.db2.gz VZAPSMFNLJZVEB-DZGCQCFKSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)cn2)C1 ZINC001106345095 768173823 /nfs/dbraw/zinc/17/38/23/768173823.db2.gz VZAPSMFNLJZVEB-DZGCQCFKSA-N 1 1 331.420 0.981 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3Cc4cccnc4C3)C2)CC1 ZINC001052113399 763912718 /nfs/dbraw/zinc/91/27/18/763912718.db2.gz UPAKDLHNGYSPTL-DLBZAZTESA-N 1 1 339.443 0.538 20 30 ECEDMO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(C)n1C ZINC001052116992 763925628 /nfs/dbraw/zinc/92/56/28/763925628.db2.gz CUEAHHOIIUSHJZ-INIZCTEOSA-N 1 1 329.448 0.998 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3nccs3)C2)CC1 ZINC001052118157 763932224 /nfs/dbraw/zinc/93/22/24/763932224.db2.gz MRDWHCXXQDRGDN-OAHLLOKOSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCn3cc(C)cn3)C2)CC1 ZINC001052122059 763945043 /nfs/dbraw/zinc/94/50/43/763945043.db2.gz LXLMKCKJBFTLCR-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123079 763948130 /nfs/dbraw/zinc/94/81/30/763948130.db2.gz BASYVVJCYSBCIV-DOTOQJQBSA-N 1 1 329.448 0.375 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001047324163 764000518 /nfs/dbraw/zinc/00/05/18/764000518.db2.gz KFOQJZQIXPCJAJ-SQNIBIBYSA-N 1 1 342.443 0.656 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001047353206 764087124 /nfs/dbraw/zinc/08/71/24/764087124.db2.gz DGPNIQLQFQBDMY-JQFCIGGWSA-N 1 1 346.431 0.820 20 30 ECEDMO CO[C@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1)C1CCC1 ZINC001047353845 764089625 /nfs/dbraw/zinc/08/96/25/764089625.db2.gz OZAGHBFJXHOSJY-YESZJQIVSA-N 1 1 346.431 0.819 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001047379790 764167164 /nfs/dbraw/zinc/16/71/64/764167164.db2.gz NJXCDUXYYGYUPL-PVAVHDDUSA-N 1 1 348.447 0.846 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnc(OC)n3)C2)C1=O ZINC001015223410 764180871 /nfs/dbraw/zinc/18/08/71/764180871.db2.gz DEHVQMFKGNLVKJ-GXTWGEPZSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(OC)n3)C2)C1=O ZINC001015223410 764180876 /nfs/dbraw/zinc/18/08/76/764180876.db2.gz DEHVQMFKGNLVKJ-GXTWGEPZSA-N 1 1 345.403 0.076 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001047392803 764197573 /nfs/dbraw/zinc/19/75/73/764197573.db2.gz TWPQXDJOLXJLSE-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO Cc1cc(NC[C@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(C#N)cn1 ZINC001106059977 764210178 /nfs/dbraw/zinc/21/01/78/764210178.db2.gz MSQDLQNGMJIOQL-HOCLYGCPSA-N 1 1 331.420 0.057 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001047402490 764229115 /nfs/dbraw/zinc/22/91/15/764229115.db2.gz OOFPSUXPOURQJY-ILXRZTDVSA-N 1 1 337.464 0.713 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001047408287 764252758 /nfs/dbraw/zinc/25/27/58/764252758.db2.gz XDGGGCJKFSYCCS-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cn2)OCCO3)C1 ZINC001047412047 764262122 /nfs/dbraw/zinc/26/21/22/764262122.db2.gz JRRIGQFEADSTKW-GJZGRUSLSA-N 1 1 347.415 0.936 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001047412910 764265046 /nfs/dbraw/zinc/26/50/46/764265046.db2.gz OQPFVIJAEKBLFP-KBPBESRZSA-N 1 1 330.388 0.962 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001089868817 764265438 /nfs/dbraw/zinc/26/54/38/764265438.db2.gz UHRDCPIZFJUGIZ-VLXAULBPSA-N 1 1 326.400 0.529 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cnc(C)o2)C[C@@H]1O ZINC001047415398 764275316 /nfs/dbraw/zinc/27/53/16/764275316.db2.gz VZDMLBDDMKIVPU-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cnc(C)o2)C[C@@H]1O ZINC001047415398 764275321 /nfs/dbraw/zinc/27/53/21/764275321.db2.gz VZDMLBDDMKIVPU-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2CCOC3)C1 ZINC001047416129 764277451 /nfs/dbraw/zinc/27/74/51/764277451.db2.gz WOIBJRWNOOWQTA-GJZGRUSLSA-N 1 1 334.420 0.497 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)C1 ZINC001106069774 764307534 /nfs/dbraw/zinc/30/75/34/764307534.db2.gz ZIQPTHUOACPNLC-WMLDXEAASA-N 1 1 345.447 0.964 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001047427415 764313285 /nfs/dbraw/zinc/31/32/85/764313285.db2.gz QKTSRPNNMOCNAZ-BPUTZDHNSA-N 1 1 348.447 0.538 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001047432715 764329022 /nfs/dbraw/zinc/32/90/22/764329022.db2.gz ZMTNFKTZHHTQOJ-JYJNAYRXSA-N 1 1 332.448 0.915 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001047439610 764350783 /nfs/dbraw/zinc/35/07/83/764350783.db2.gz NJCJPODKTZUAQF-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001047439610 764350789 /nfs/dbraw/zinc/35/07/89/764350789.db2.gz NJCJPODKTZUAQF-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001047447271 764375012 /nfs/dbraw/zinc/37/50/12/764375012.db2.gz YQRMQKWBXKYIEF-KBPBESRZSA-N 1 1 346.387 0.106 20 30 ECEDMO Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)ncc1=O ZINC001015331010 764388997 /nfs/dbraw/zinc/38/89/97/764388997.db2.gz YCBLDHXAVMTXOC-NSHDSACASA-N 1 1 343.412 0.718 20 30 ECEDMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)ncc1=O ZINC001015331010 764389005 /nfs/dbraw/zinc/38/90/05/764389005.db2.gz YCBLDHXAVMTXOC-NSHDSACASA-N 1 1 343.412 0.718 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccc(Cl)cc32)C1 ZINC001047457960 764404160 /nfs/dbraw/zinc/40/41/60/764404160.db2.gz BQHNXVZHJNYHJX-ILXRZTDVSA-N 1 1 334.803 0.953 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccc(Cl)cc32)C1 ZINC001047457960 764404166 /nfs/dbraw/zinc/40/41/66/764404166.db2.gz BQHNXVZHJNYHJX-ILXRZTDVSA-N 1 1 334.803 0.953 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001047464940 764421782 /nfs/dbraw/zinc/42/17/82/764421782.db2.gz NKOQRZVDRBEGHW-KBPBESRZSA-N 1 1 329.404 0.960 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nc(C)c[nH]3)[C@H]2C)C1=O ZINC001088910306 764425817 /nfs/dbraw/zinc/42/58/17/764425817.db2.gz FFVZKNYGNDQQMK-RDBSUJKOSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nc(C)c[nH]3)[C@H]2C)C1=O ZINC001088910306 764425818 /nfs/dbraw/zinc/42/58/18/764425818.db2.gz FFVZKNYGNDQQMK-RDBSUJKOSA-N 1 1 331.420 0.698 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H]1C ZINC001088912308 764427205 /nfs/dbraw/zinc/42/72/05/764427205.db2.gz PHLJDQUIQXVFTJ-GRZALLJUSA-N 1 1 340.427 0.813 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2C)nn1 ZINC001088911055 764428466 /nfs/dbraw/zinc/42/84/66/764428466.db2.gz WZCFAWBTVKNWFN-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)nn1 ZINC001088911055 764428472 /nfs/dbraw/zinc/42/84/72/764428472.db2.gz WZCFAWBTVKNWFN-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001047470507 764435469 /nfs/dbraw/zinc/43/54/69/764435469.db2.gz RYKOVAFNQGZRSS-RDBSUJKOSA-N 1 1 334.445 0.249 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001047470507 764435471 /nfs/dbraw/zinc/43/54/71/764435471.db2.gz RYKOVAFNQGZRSS-RDBSUJKOSA-N 1 1 334.445 0.249 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001047472998 764443173 /nfs/dbraw/zinc/44/31/73/764443173.db2.gz JKFAFNPXYUGRRQ-QEJZJMRPSA-N 1 1 334.420 0.227 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001047472998 764443175 /nfs/dbraw/zinc/44/31/75/764443175.db2.gz JKFAFNPXYUGRRQ-QEJZJMRPSA-N 1 1 334.420 0.227 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001047473580 764444158 /nfs/dbraw/zinc/44/41/58/764444158.db2.gz UBZVWRXLDOQLAN-SNPRPXQTSA-N 1 1 332.404 0.054 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)cc1 ZINC001047481175 764473190 /nfs/dbraw/zinc/47/31/90/764473190.db2.gz XLRPIXQCUVVSRG-SZMVWBNQSA-N 1 1 328.412 0.822 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001047498021 764512548 /nfs/dbraw/zinc/51/25/48/764512548.db2.gz AYPBSMIYAHTGIL-KKUMJFAQSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001047498021 764512555 /nfs/dbraw/zinc/51/25/55/764512555.db2.gz AYPBSMIYAHTGIL-KKUMJFAQSA-N 1 1 335.448 0.160 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001047499249 764519245 /nfs/dbraw/zinc/51/92/45/764519245.db2.gz DFQPILHICZCWBO-HRCADAONSA-N 1 1 325.453 0.175 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001047500334 764522918 /nfs/dbraw/zinc/52/29/18/764522918.db2.gz AQSIPGUZCJCLDY-COXVUDFISA-N 1 1 330.432 0.052 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001047500334 764522922 /nfs/dbraw/zinc/52/29/22/764522922.db2.gz AQSIPGUZCJCLDY-COXVUDFISA-N 1 1 330.432 0.052 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001047505396 764540098 /nfs/dbraw/zinc/54/00/98/764540098.db2.gz IZSHSSIWLWSHGO-PVAVHDDUSA-N 1 1 332.448 0.834 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]2O)C1 ZINC001047519694 764573896 /nfs/dbraw/zinc/57/38/96/764573896.db2.gz MYOKFQBSZAPBRW-JYJNAYRXSA-N 1 1 349.475 0.856 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]2O)C1 ZINC001047519694 764573898 /nfs/dbraw/zinc/57/38/98/764573898.db2.gz MYOKFQBSZAPBRW-JYJNAYRXSA-N 1 1 349.475 0.856 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3ncn(C)c3n2)C1 ZINC001047525695 764592581 /nfs/dbraw/zinc/59/25/81/764592581.db2.gz QAASOWNMDQPALI-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3nonc3C)[C@H]2C)C1=O ZINC001088951052 764597027 /nfs/dbraw/zinc/59/70/27/764597027.db2.gz WRAFWPNKDZICOJ-IPYPFGDCSA-N 1 1 347.419 0.286 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3nonc3C)[C@H]2C)C1=O ZINC001088951052 764597032 /nfs/dbraw/zinc/59/70/32/764597032.db2.gz WRAFWPNKDZICOJ-IPYPFGDCSA-N 1 1 347.419 0.286 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001047528233 764602020 /nfs/dbraw/zinc/60/20/20/764602020.db2.gz OJJQJUQWGRMTCB-PVAVHDDUSA-N 1 1 332.448 0.834 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001047531396 764613771 /nfs/dbraw/zinc/61/37/71/764613771.db2.gz OGFCGWOKWMEQBX-BBWFWOEESA-N 1 1 349.475 0.862 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CC(=O)NC2=O)C1 ZINC001089879253 764633186 /nfs/dbraw/zinc/63/31/86/764633186.db2.gz ZYZZYFFRBDFGJC-AJNGGQMLSA-N 1 1 346.431 0.283 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnnn1 ZINC001089879616 764634414 /nfs/dbraw/zinc/63/44/14/764634414.db2.gz DHBLHLIVEAIZAG-JONQDZQNSA-N 1 1 330.436 0.808 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC001047545080 764650058 /nfs/dbraw/zinc/65/00/58/764650058.db2.gz KTOPIXGYOPIUIF-HOTGVXAUSA-N 1 1 342.399 0.269 20 30 ECEDMO C[C@H](CCNc1ncccc1C#N)NC(=O)CC[NH+]1CCOCC1 ZINC001106383137 768229358 /nfs/dbraw/zinc/22/93/58/768229358.db2.gz MYHMLBAVWGDLKO-CQSZACIVSA-N 1 1 331.420 0.982 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)nn1 ZINC001047553977 764678951 /nfs/dbraw/zinc/67/89/51/764678951.db2.gz GJBRMXSGQALZST-HOTGVXAUSA-N 1 1 349.435 0.150 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001047554732 764682601 /nfs/dbraw/zinc/68/26/01/764682601.db2.gz FMCYGJYDADVFAO-KBPBESRZSA-N 1 1 330.388 0.200 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C2CCOCC2)C1 ZINC001047557193 764687193 /nfs/dbraw/zinc/68/71/93/764687193.db2.gz HXRMNXZHPYEHGY-IRXDYDNUSA-N 1 1 348.447 0.928 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(C(C)(C)C)c2=O)C1 ZINC001047557296 764687437 /nfs/dbraw/zinc/68/74/37/764687437.db2.gz NOJLIIWJDBOUMS-HOTGVXAUSA-N 1 1 345.443 0.744 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+]([C@H](C)COC)C[C@@H]2O)nn1 ZINC001047557704 764689549 /nfs/dbraw/zinc/68/95/49/764689549.db2.gz ILUDMBCLRDNOKR-SNPRPXQTSA-N 1 1 337.424 0.006 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001047558072 764689878 /nfs/dbraw/zinc/68/98/78/764689878.db2.gz UOUHDQMDILVMAS-IKGGRYGDSA-N 1 1 337.464 0.857 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001047567306 764712329 /nfs/dbraw/zinc/71/23/29/764712329.db2.gz BXHCWLUURMFZFY-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001047567306 764712338 /nfs/dbraw/zinc/71/23/38/764712338.db2.gz BXHCWLUURMFZFY-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001052539869 764716743 /nfs/dbraw/zinc/71/67/43/764716743.db2.gz STUORTPOQMPSOR-CABCVRRESA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(F)ccc2OC)C1 ZINC001047571921 764730350 /nfs/dbraw/zinc/73/03/50/764730350.db2.gz GCYUPAZXSFAPLN-HOTGVXAUSA-N 1 1 334.391 0.904 20 30 ECEDMO CN(C(=O)c1ncccn1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047574678 764742539 /nfs/dbraw/zinc/74/25/39/764742539.db2.gz UKTOOKVEQFRDDS-HOTGVXAUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)c1ncccn1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047574678 764742547 /nfs/dbraw/zinc/74/25/47/764742547.db2.gz UKTOOKVEQFRDDS-HOTGVXAUSA-N 1 1 337.383 0.666 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1C[NH+]([C@@H](CC)C(N)=O)C1 ZINC001032136371 764787398 /nfs/dbraw/zinc/78/73/98/764787398.db2.gz NOHAFVABWVELDP-AWEZNQCLSA-N 1 1 330.388 0.019 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCN(CC=C)C3=O)C2)nc1 ZINC001032137796 764790110 /nfs/dbraw/zinc/79/01/10/764790110.db2.gz ZDNHDAGWWMXMKM-QGZVFWFLSA-N 1 1 338.411 0.511 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCN(CC=C)C3=O)C2)cn1 ZINC001032138236 764791922 /nfs/dbraw/zinc/79/19/22/764791922.db2.gz RNUPSANOLFLGMW-QGZVFWFLSA-N 1 1 338.411 0.511 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C3CCOCC3)n2)C1 ZINC001047590712 764800656 /nfs/dbraw/zinc/80/06/56/764800656.db2.gz JOWMREGNWYHDLO-HOTGVXAUSA-N 1 1 347.415 0.709 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001047592069 764806142 /nfs/dbraw/zinc/80/61/42/764806142.db2.gz DOYXKJYXRJJKHD-ILXRZTDVSA-N 1 1 338.452 0.389 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)[C@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001047592618 764808183 /nfs/dbraw/zinc/80/81/83/764808183.db2.gz YQCHWMLUTLFSMB-KBPBESRZSA-N 1 1 335.404 0.410 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)[C@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001047592618 764808192 /nfs/dbraw/zinc/80/81/92/764808192.db2.gz YQCHWMLUTLFSMB-KBPBESRZSA-N 1 1 335.404 0.410 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001047594260 764815069 /nfs/dbraw/zinc/81/50/69/764815069.db2.gz TYRXAPCLTRVBNN-CKUJCDMFSA-N 1 1 337.464 0.571 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001047594260 764815077 /nfs/dbraw/zinc/81/50/77/764815077.db2.gz TYRXAPCLTRVBNN-CKUJCDMFSA-N 1 1 337.464 0.571 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)cc1C#N ZINC001015504912 764820879 /nfs/dbraw/zinc/82/08/79/764820879.db2.gz RRZKPXWGZJTZOA-GJZGRUSLSA-N 1 1 342.399 0.393 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)cc1C#N ZINC001015504912 764820888 /nfs/dbraw/zinc/82/08/88/764820888.db2.gz RRZKPXWGZJTZOA-GJZGRUSLSA-N 1 1 342.399 0.393 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001052598351 764826872 /nfs/dbraw/zinc/82/68/72/764826872.db2.gz GGOXRABRESWIQI-HOTGVXAUSA-N 1 1 337.464 0.577 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3nc(C)nn32)C1 ZINC001047597573 764827036 /nfs/dbraw/zinc/82/70/36/764827036.db2.gz VENROPLIRNFTAE-KBPBESRZSA-N 1 1 330.392 0.126 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)nc1 ZINC001047601933 764846491 /nfs/dbraw/zinc/84/64/91/764846491.db2.gz QWRYLJYZEVBXEI-ROUUACIJSA-N 1 1 343.427 0.607 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)NC1=O ZINC001015513578 764847042 /nfs/dbraw/zinc/84/70/42/764847042.db2.gz GYEPWSYJOOTILL-ZFWWWQNUSA-N 1 1 345.378 0.411 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)NC1=O ZINC001015513578 764847052 /nfs/dbraw/zinc/84/70/52/764847052.db2.gz GYEPWSYJOOTILL-ZFWWWQNUSA-N 1 1 345.378 0.411 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2OCC#C)C1 ZINC001047601923 764847311 /nfs/dbraw/zinc/84/73/11/764847311.db2.gz QJSXOGBRLZCJFT-HOTGVXAUSA-N 1 1 327.384 0.234 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001047613182 764881326 /nfs/dbraw/zinc/88/13/26/764881326.db2.gz ZCRACKUHDGGHGX-RYUDHWBXSA-N 1 1 344.337 0.579 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001047613182 764881336 /nfs/dbraw/zinc/88/13/36/764881336.db2.gz ZCRACKUHDGGHGX-RYUDHWBXSA-N 1 1 344.337 0.579 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(cccc3C)n2)C1 ZINC001047622838 764908223 /nfs/dbraw/zinc/90/82/23/764908223.db2.gz OSXAHTNUKMZNFM-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(cccc3C)n2)C1 ZINC001047622838 764908226 /nfs/dbraw/zinc/90/82/26/764908226.db2.gz OSXAHTNUKMZNFM-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001047624635 764914771 /nfs/dbraw/zinc/91/47/71/764914771.db2.gz LKMBUIUQOZVUGQ-HOTGVXAUSA-N 1 1 327.384 0.927 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001047624635 764914775 /nfs/dbraw/zinc/91/47/75/764914775.db2.gz LKMBUIUQOZVUGQ-HOTGVXAUSA-N 1 1 327.384 0.927 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1nccn1 ZINC001099092705 764922415 /nfs/dbraw/zinc/92/24/15/764922415.db2.gz IQXWQAPUISJBPR-OAHLLOKOSA-N 1 1 333.436 0.535 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)CC2)c1 ZINC001052670411 764970246 /nfs/dbraw/zinc/97/02/46/764970246.db2.gz FMYJGMUCXLHOOS-HZPDHXFCSA-N 1 1 341.415 0.710 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)s1 ZINC001052672464 764974784 /nfs/dbraw/zinc/97/47/84/764974784.db2.gz WETXDRVCYYGTAF-FZMZJTMJSA-N 1 1 347.444 0.772 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3n[nH]cc3F)CC2)C1=O ZINC001052691758 764997448 /nfs/dbraw/zinc/99/74/48/764997448.db2.gz YHJCVMKIZURGBQ-OCCSQVGLSA-N 1 1 349.410 0.920 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnnc3)CC2)C1=O ZINC001052742980 765058816 /nfs/dbraw/zinc/05/88/16/765058816.db2.gz RGSHZKJFHFBVHN-HZPDHXFCSA-N 1 1 343.431 0.848 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001052755681 765070082 /nfs/dbraw/zinc/07/00/82/765070082.db2.gz XDAVHZAJMUWFPW-MNOVXSKESA-N 1 1 328.800 0.308 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)nn1 ZINC001052778386 765105412 /nfs/dbraw/zinc/10/54/12/765105412.db2.gz JNZUSUQQVDPOQE-ZFWWWQNUSA-N 1 1 348.451 0.702 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)CSCC#N)C1 ZINC001052781619 765108054 /nfs/dbraw/zinc/10/80/54/765108054.db2.gz AZRLVHQHGRYMJT-KBPBESRZSA-N 1 1 340.493 0.794 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001052784151 765115655 /nfs/dbraw/zinc/11/56/55/765115655.db2.gz XBTDZBRLHWHSSA-HZPDHXFCSA-N 1 1 337.464 0.577 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)C2)CC1 ZINC001015660023 765135157 /nfs/dbraw/zinc/13/51/57/765135157.db2.gz PLEDHTBZXPQWMW-HNNXBMFYSA-N 1 1 348.447 0.865 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)c[nH]1 ZINC000992010819 765147982 /nfs/dbraw/zinc/14/79/82/765147982.db2.gz POLOVVYOEQIWOV-JKSUJKDBSA-N 1 1 341.415 0.844 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c1 ZINC001015678773 765149806 /nfs/dbraw/zinc/14/98/06/765149806.db2.gz NIKIBBCHBFNRDR-HOTGVXAUSA-N 1 1 336.399 0.646 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001015678393 765150498 /nfs/dbraw/zinc/15/04/98/765150498.db2.gz GRQWEZXSWOLBTD-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001015678393 765150502 /nfs/dbraw/zinc/15/05/02/765150502.db2.gz GRQWEZXSWOLBTD-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001015679646 765151225 /nfs/dbraw/zinc/15/12/25/765151225.db2.gz ITZBVQWEJIQSCF-BLLLJJGKSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001015679646 765151233 /nfs/dbraw/zinc/15/12/33/765151233.db2.gz ITZBVQWEJIQSCF-BLLLJJGKSA-N 1 1 326.400 0.534 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)CCNC1=O ZINC001015694996 765175706 /nfs/dbraw/zinc/17/57/06/765175706.db2.gz DPVQFBRVMHCUHQ-QFBILLFUSA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CCNC1=O ZINC001015694996 765175709 /nfs/dbraw/zinc/17/57/09/765175709.db2.gz DPVQFBRVMHCUHQ-QFBILLFUSA-N 1 1 325.412 0.755 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)cn1 ZINC001052877225 765281788 /nfs/dbraw/zinc/28/17/88/765281788.db2.gz GHCUMLCTWIGMQV-MRXNPFEDSA-N 1 1 340.427 0.926 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc4ccccn4c3=O)CCC[C@@H]12 ZINC000992053621 765301337 /nfs/dbraw/zinc/30/13/37/765301337.db2.gz WPGVSWQDZPOVPC-KDOFPFPSSA-N 1 1 339.399 0.242 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001052920641 765350256 /nfs/dbraw/zinc/35/02/56/765350256.db2.gz BSWVVDKYYHXSIU-GFCCVEGCSA-N 1 1 327.812 0.859 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(CC=C)C3=O)C2)nn1 ZINC001015810354 765368731 /nfs/dbraw/zinc/36/87/31/765368731.db2.gz GYLFGKZYVDENAI-ZFWWWQNUSA-N 1 1 344.419 0.055 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(CC=C)C3=O)C2)nn1 ZINC001015810354 765368741 /nfs/dbraw/zinc/36/87/41/765368741.db2.gz GYLFGKZYVDENAI-ZFWWWQNUSA-N 1 1 344.419 0.055 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)s1 ZINC001015833981 765401822 /nfs/dbraw/zinc/40/18/22/765401822.db2.gz GHMZNWGALNATAF-NEPJUHHUSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)s1 ZINC001015833981 765401828 /nfs/dbraw/zinc/40/18/28/765401828.db2.gz GHMZNWGALNATAF-NEPJUHHUSA-N 1 1 332.429 0.979 20 30 ECEDMO Cc1cc(C#N)nc(NCCOCCN(C)C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001127233402 765479365 /nfs/dbraw/zinc/47/93/65/765479365.db2.gz QRYZLDGCPNCFKI-HNNXBMFYSA-N 1 1 346.435 0.638 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001053020352 765492154 /nfs/dbraw/zinc/49/21/54/765492154.db2.gz UVHPRZMIWMUDHG-HZPDHXFCSA-N 1 1 345.447 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001053025494 765499004 /nfs/dbraw/zinc/49/90/04/765499004.db2.gz BZHBSZRMNJEXBK-LSDHHAIUSA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001053025494 765499011 /nfs/dbraw/zinc/49/90/11/765499011.db2.gz BZHBSZRMNJEXBK-LSDHHAIUSA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC001053029929 765502514 /nfs/dbraw/zinc/50/25/14/765502514.db2.gz YLIHQZLTJLBRQN-HZPDHXFCSA-N 1 1 342.443 0.978 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C(=O)N3)CCC[C@@H]12 ZINC000992125784 765577037 /nfs/dbraw/zinc/57/70/37/765577037.db2.gz DOMHEESMYYUASL-LALPHHSUSA-N 1 1 326.828 0.876 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C(=O)N3)CCC[C@@H]12 ZINC000992125784 765577044 /nfs/dbraw/zinc/57/70/44/765577044.db2.gz DOMHEESMYYUASL-LALPHHSUSA-N 1 1 326.828 0.876 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(OC)nc3)C2)C1=O ZINC001015938047 765580758 /nfs/dbraw/zinc/58/07/58/765580758.db2.gz IIBUCPGOTOQRFF-UONOGXRCSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnc(OC)nc3)C2)C1=O ZINC001015938047 765580765 /nfs/dbraw/zinc/58/07/65/765580765.db2.gz IIBUCPGOTOQRFF-UONOGXRCSA-N 1 1 345.403 0.076 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)CSCC#N)[C@H](C)C1 ZINC001053115661 765602330 /nfs/dbraw/zinc/60/23/30/765602330.db2.gz QWLJJSJMFYAPRI-ZIAGYGMSSA-N 1 1 340.493 0.796 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001053115413 765602364 /nfs/dbraw/zinc/60/23/64/765602364.db2.gz PMBXNEFKKORKBW-CABCVRRESA-N 1 1 325.453 0.742 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992162358 765721132 /nfs/dbraw/zinc/72/11/32/765721132.db2.gz RTAWWWBVSQDGEH-YJBOKZPZSA-N 1 1 342.399 0.665 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992162358 765721138 /nfs/dbraw/zinc/72/11/38/765721138.db2.gz RTAWWWBVSQDGEH-YJBOKZPZSA-N 1 1 342.399 0.665 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001016019695 765725166 /nfs/dbraw/zinc/72/51/66/765725166.db2.gz PTMRBXWVRGWEOF-CQSZACIVSA-N 1 1 340.387 0.189 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016019695 765725173 /nfs/dbraw/zinc/72/51/73/765725173.db2.gz PTMRBXWVRGWEOF-CQSZACIVSA-N 1 1 340.387 0.189 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)nc3C)C2)cn1 ZINC001016031507 765733944 /nfs/dbraw/zinc/73/39/44/765733944.db2.gz QWTBTWHNPPKQBT-KRWDZBQOSA-N 1 1 338.415 0.776 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(CC=C)C3=O)C2)cn1 ZINC001016031543 765734443 /nfs/dbraw/zinc/73/44/43/765734443.db2.gz RVYIIBXLPRMBQM-IAGOWNOFSA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(CC=C)C3=O)C2)cn1 ZINC001016031543 765734451 /nfs/dbraw/zinc/73/44/51/765734451.db2.gz RVYIIBXLPRMBQM-IAGOWNOFSA-N 1 1 338.411 0.654 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC(N)=O)cc1 ZINC001017719270 768321653 /nfs/dbraw/zinc/32/16/53/768321653.db2.gz SZJPHFYYDQAJEY-IYBDPMFKSA-N 1 1 341.411 0.863 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1=O ZINC001030825609 765859330 /nfs/dbraw/zinc/85/93/30/765859330.db2.gz NWHROFAIFNIKGH-RDJZCZTQSA-N 1 1 348.491 0.696 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)C[N@@H+]2CCC[C@H]2C)ccc1C#N ZINC001106109128 765872463 /nfs/dbraw/zinc/87/24/63/765872463.db2.gz UKYYYHYJWXKQST-IUODEOHRSA-N 1 1 331.420 0.635 20 30 ECEDMO C=CCCN1CC2(C1)CN(C(=O)[C@@H](Cn1cccn1)[NH+](C)C)CCO2 ZINC001053284737 765903344 /nfs/dbraw/zinc/90/33/44/765903344.db2.gz HAZXRVSWHFSVEH-MRXNPFEDSA-N 1 1 347.463 0.303 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC001077505067 765906971 /nfs/dbraw/zinc/90/69/71/765906971.db2.gz MPXSLBUQYLSRLG-NVXWUHKLSA-N 1 1 326.400 0.680 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CCO2 ZINC001053287253 765910093 /nfs/dbraw/zinc/91/00/93/765910093.db2.gz QYDLQWUJHRRIDH-KRWDZBQOSA-N 1 1 331.460 0.940 20 30 ECEDMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016210526 765912709 /nfs/dbraw/zinc/91/27/09/765912709.db2.gz ZAYNRUBMOQSWOC-MRXNPFEDSA-N 1 1 339.395 0.378 20 30 ECEDMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016210526 765912711 /nfs/dbraw/zinc/91/27/11/765912711.db2.gz ZAYNRUBMOQSWOC-MRXNPFEDSA-N 1 1 339.395 0.378 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN([C@@H](C)COC)C2)C1 ZINC001053291193 765920519 /nfs/dbraw/zinc/92/05/19/765920519.db2.gz CLIQNBHWTABTGF-HOTGVXAUSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN([C@@H](C)COC)C2)C1 ZINC001053291193 765920521 /nfs/dbraw/zinc/92/05/21/765920521.db2.gz CLIQNBHWTABTGF-HOTGVXAUSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nncn2CC1 ZINC001017746149 768343478 /nfs/dbraw/zinc/34/34/78/768343478.db2.gz XDZBMBONCKJGDI-OAGGEKHMSA-N 1 1 327.432 0.929 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cncnc3CC)C2)C1=O ZINC001016273737 766018449 /nfs/dbraw/zinc/01/84/49/766018449.db2.gz BCYODVAIKNGITL-CJNGLKHVSA-N 1 1 343.431 0.630 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cncnc3CC)C2)C1=O ZINC001016273737 766018454 /nfs/dbraw/zinc/01/84/54/766018454.db2.gz BCYODVAIKNGITL-CJNGLKHVSA-N 1 1 343.431 0.630 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCN1C(=O)CCC1=O ZINC001099134621 766020478 /nfs/dbraw/zinc/02/04/78/766020478.db2.gz AQBJBBUMURKSPA-CQSZACIVSA-N 1 1 333.432 0.766 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001016326159 766117983 /nfs/dbraw/zinc/11/79/83/766117983.db2.gz RQQFNULZDUPEIG-PESDSKBTSA-N 1 1 329.404 0.700 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1ncn(C)c1=O ZINC001017760463 768351397 /nfs/dbraw/zinc/35/13/97/768351397.db2.gz FCTMNNUQQLADNZ-GASCZTMLSA-N 1 1 333.436 0.613 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001017767634 768355583 /nfs/dbraw/zinc/35/55/83/768355583.db2.gz QWMHMECIYGBDQD-OKILXGFUSA-N 1 1 339.399 0.643 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001017767634 768355591 /nfs/dbraw/zinc/35/55/91/768355591.db2.gz QWMHMECIYGBDQD-OKILXGFUSA-N 1 1 339.399 0.643 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1CC(F)F ZINC001017769076 768356662 /nfs/dbraw/zinc/35/66/62/768356662.db2.gz NSUNEJOAFKPWFX-QLFBSQMISA-N 1 1 341.402 0.651 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H]2CCNC2=O)CC3)nn1 ZINC000992301217 766200647 /nfs/dbraw/zinc/20/06/47/766200647.db2.gz GHUUCDKUSMWERJ-KEYYUXOJSA-N 1 1 344.419 0.079 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3nnnc3C(C)C)CCC[C@@H]12 ZINC000992306818 766221576 /nfs/dbraw/zinc/22/15/76/766221576.db2.gz QPPGHQVKCDNOID-RHSMWYFYSA-N 1 1 330.436 0.933 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)C[C@H]1CC[N@H+](C)C1)CCO2 ZINC001053506312 766253397 /nfs/dbraw/zinc/25/33/97/766253397.db2.gz AITWCIWTTSADNV-CQSZACIVSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@@H]12 ZINC000992347503 766339428 /nfs/dbraw/zinc/33/94/28/766339428.db2.gz VHERREMNJSXUDQ-BJAXYTJBSA-N 1 1 346.431 0.664 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCNC1=O ZINC001045774283 766353077 /nfs/dbraw/zinc/35/30/77/766353077.db2.gz LKOAJJMXRXMCSA-CVEARBPZSA-N 1 1 330.432 0.490 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(=O)c3ccccc23)[C@@H](O)C1 ZINC001083691763 766374284 /nfs/dbraw/zinc/37/42/84/766374284.db2.gz FXWMYAPLCAPKCM-CVEARBPZSA-N 1 1 326.352 0.591 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(=O)c3ccccc23)[C@@H](O)C1 ZINC001083691763 766374292 /nfs/dbraw/zinc/37/42/92/766374292.db2.gz FXWMYAPLCAPKCM-CVEARBPZSA-N 1 1 326.352 0.591 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H](CC)C(N)=O)nn1 ZINC001045861559 766440182 /nfs/dbraw/zinc/44/01/82/766440182.db2.gz SWTCYAJXGNDKDS-VNHYZAJKSA-N 1 1 346.435 0.407 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3cncn3C1)O2 ZINC001053618929 766447092 /nfs/dbraw/zinc/44/70/92/766447092.db2.gz GIPQNUZQEQMIRQ-NVXWUHKLSA-N 1 1 342.443 0.818 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1n[nH]c3c1CCC3)O2 ZINC001053621575 766458074 /nfs/dbraw/zinc/45/80/74/766458074.db2.gz HYISMTTUWOKEEJ-ZDUSSCGKSA-N 1 1 328.416 0.885 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cn1 ZINC001045880322 766462682 /nfs/dbraw/zinc/46/26/82/766462682.db2.gz QSUXABKWKGWPHN-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@H]12 ZINC000992394872 766469182 /nfs/dbraw/zinc/46/91/82/766469182.db2.gz GWFSSOHFECCUMD-QFYYESIMSA-N 1 1 334.376 0.809 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3nccn3c1)O2 ZINC001053631432 766479582 /nfs/dbraw/zinc/47/95/82/766479582.db2.gz XFSUJRCDDWAPMQ-OAHLLOKOSA-N 1 1 339.399 0.716 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001045943529 766514180 /nfs/dbraw/zinc/51/41/80/766514180.db2.gz KHESOZBWYJMPKO-KBXCAEBGSA-N 1 1 348.447 0.865 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001045947321 766518067 /nfs/dbraw/zinc/51/80/67/766518067.db2.gz CDENOTOWXDXGDJ-LJQANCHMSA-N 1 1 348.491 0.651 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(=O)n1C)O2 ZINC001053658149 766527802 /nfs/dbraw/zinc/52/78/02/766527802.db2.gz RNLFICIXSPDXLZ-AWEZNQCLSA-N 1 1 329.400 0.372 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001045988093 766560294 /nfs/dbraw/zinc/56/02/94/766560294.db2.gz IMJLQFGPZCFPIM-BEFAXECRSA-N 1 1 345.443 0.767 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(CC3CC3)nn1)O2 ZINC001053684516 766581558 /nfs/dbraw/zinc/58/15/58/766581558.db2.gz QBVRGFNKTHDWIX-HNNXBMFYSA-N 1 1 343.431 0.675 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC3(C[NH+](C[C@H](C)O)C3)O2)cn1 ZINC001053690090 766595492 /nfs/dbraw/zinc/59/54/92/766595492.db2.gz DSNRSXDYROESQF-XJKSGUPXSA-N 1 1 329.400 0.407 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212258677 766610411 /nfs/dbraw/zinc/61/04/11/766610411.db2.gz XVDDDJWPZCGBQT-FVQBIDKESA-N 1 1 334.420 0.082 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212258677 766610414 /nfs/dbraw/zinc/61/04/14/766610414.db2.gz XVDDDJWPZCGBQT-FVQBIDKESA-N 1 1 334.420 0.082 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)n[nH]3)CC2)C1 ZINC001046006370 766614685 /nfs/dbraw/zinc/61/46/85/766614685.db2.gz KODQEQQPWBTMOH-MRXNPFEDSA-N 1 1 329.448 0.828 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)[nH]n3)CC2)C1 ZINC001046006370 766614687 /nfs/dbraw/zinc/61/46/87/766614687.db2.gz KODQEQQPWBTMOH-MRXNPFEDSA-N 1 1 329.448 0.828 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)[nH]n3)CC2)C1 ZINC001046006370 766614691 /nfs/dbraw/zinc/61/46/91/766614691.db2.gz KODQEQQPWBTMOH-MRXNPFEDSA-N 1 1 329.448 0.828 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)on1 ZINC001046011542 766635696 /nfs/dbraw/zinc/63/56/96/766635696.db2.gz DPOFDFZTQRIROU-DZGCQCFKSA-N 1 1 331.420 0.861 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](CCOC3CCC3)C2)CC1 ZINC001046012046 766638195 /nfs/dbraw/zinc/63/81/95/766638195.db2.gz JUWSWNKEOSDTOM-JKSUJKDBSA-N 1 1 334.464 0.934 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001046012111 766638503 /nfs/dbraw/zinc/63/85/03/766638503.db2.gz LPJUSMYJZCSJPS-RDJZCZTQSA-N 1 1 334.464 0.791 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3C)CC2)C1 ZINC001046013631 766644186 /nfs/dbraw/zinc/64/41/86/766644186.db2.gz FVWQTGSBWRBZPI-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CCc3nnc[nH]3)CC2)C1 ZINC001046017791 766654900 /nfs/dbraw/zinc/65/49/00/766654900.db2.gz QUCBUBQPQRHZAC-HNNXBMFYSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001046017791 766654907 /nfs/dbraw/zinc/65/49/07/766654907.db2.gz QUCBUBQPQRHZAC-HNNXBMFYSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001046017791 766654916 /nfs/dbraw/zinc/65/49/16/766654916.db2.gz QUCBUBQPQRHZAC-HNNXBMFYSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 ZINC001046021311 766665959 /nfs/dbraw/zinc/66/59/59/766665959.db2.gz BYJAEHUEAOTLNQ-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046021889 766667371 /nfs/dbraw/zinc/66/73/71/766667371.db2.gz MLLZNBLMAGLSNO-MRXNPFEDSA-N 1 1 331.420 0.365 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3ccnn3)CC2)C1 ZINC001046024067 766674960 /nfs/dbraw/zinc/67/49/60/766674960.db2.gz DMKUNGYHKXFAPN-MRXNPFEDSA-N 1 1 332.452 0.463 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 ZINC001046025102 766677237 /nfs/dbraw/zinc/67/72/37/766677237.db2.gz UDWOQUJGZHVXDC-OAHLLOKOSA-N 1 1 348.447 0.777 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046027041 766684153 /nfs/dbraw/zinc/68/41/53/766684153.db2.gz ISMHWYIELXDHAM-QGZVFWFLSA-N 1 1 327.432 0.261 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC000994750907 766694929 /nfs/dbraw/zinc/69/49/29/766694929.db2.gz DZVRZTYMGQSVEI-ZDUSSCGKSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC000994750907 766694934 /nfs/dbraw/zinc/69/49/34/766694934.db2.gz DZVRZTYMGQSVEI-ZDUSSCGKSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccc(F)c2)C1 ZINC000994750179 766695143 /nfs/dbraw/zinc/69/51/43/766695143.db2.gz GTPQHOPKNNZESU-INIZCTEOSA-N 1 1 329.375 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccc(F)c2)C1 ZINC000994750179 766695149 /nfs/dbraw/zinc/69/51/49/766695149.db2.gz GTPQHOPKNNZESU-INIZCTEOSA-N 1 1 329.375 0.864 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1 ZINC001046029972 766695779 /nfs/dbraw/zinc/69/57/79/766695779.db2.gz HBPFGOYPQMKULB-SQNIBIBYSA-N 1 1 333.476 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cc(C)on2)C1 ZINC001016669873 766697779 /nfs/dbraw/zinc/69/77/79/766697779.db2.gz DQNJECPLOVFCGA-XUJLQICISA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cc(C)on2)C1 ZINC001016669873 766697784 /nfs/dbraw/zinc/69/77/84/766697784.db2.gz DQNJECPLOVFCGA-XUJLQICISA-N 1 1 344.415 0.800 20 30 ECEDMO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089625487 766698718 /nfs/dbraw/zinc/69/87/18/766698718.db2.gz WJCKHUMBEBCQLF-TZMCWYRMSA-N 1 1 332.408 0.010 20 30 ECEDMO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089625487 766698722 /nfs/dbraw/zinc/69/87/22/766698722.db2.gz WJCKHUMBEBCQLF-TZMCWYRMSA-N 1 1 332.408 0.010 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ncc[nH]2)C1 ZINC001016670917 766700265 /nfs/dbraw/zinc/70/02/65/766700265.db2.gz WMQQDAOVDLNQRH-RUXDESIVSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ncc[nH]2)C1 ZINC001016670917 766700272 /nfs/dbraw/zinc/70/02/72/766700272.db2.gz WMQQDAOVDLNQRH-RUXDESIVSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C[C@H]2CCOC2)C1 ZINC001016670994 766700717 /nfs/dbraw/zinc/70/07/17/766700717.db2.gz YKANGMASJKAJKC-VXLLPVPCSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C[C@H]2CCOC2)C1 ZINC001016670994 766700724 /nfs/dbraw/zinc/70/07/24/766700724.db2.gz YKANGMASJKAJKC-VXLLPVPCSA-N 1 1 347.459 0.616 20 30 ECEDMO CCN(c1nc(C)ccc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089624522 766703223 /nfs/dbraw/zinc/70/32/23/766703223.db2.gz DAJHMANNGCTVJE-GDBMZVCRSA-N 1 1 345.447 0.923 20 30 ECEDMO CCN(c1nc(C)ccc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089624522 766703227 /nfs/dbraw/zinc/70/32/27/766703227.db2.gz DAJHMANNGCTVJE-GDBMZVCRSA-N 1 1 345.447 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCn2cccc2)C1 ZINC000994752830 766704382 /nfs/dbraw/zinc/70/43/82/766704382.db2.gz VVSHSHJWNKRCEM-INIZCTEOSA-N 1 1 328.416 0.303 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCn2cccc2)C1 ZINC000994752830 766704392 /nfs/dbraw/zinc/70/43/92/766704392.db2.gz VVSHSHJWNKRCEM-INIZCTEOSA-N 1 1 328.416 0.303 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC001046032478 766706196 /nfs/dbraw/zinc/70/61/96/766706196.db2.gz DLBKPJSDGBTQTK-KRWDZBQOSA-N 1 1 329.448 0.123 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)C1 ZINC001046033851 766711323 /nfs/dbraw/zinc/71/13/23/766711323.db2.gz KMIXFYZPAXKWSE-HNNXBMFYSA-N 1 1 340.431 0.976 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@H]12 ZINC000992497465 766713130 /nfs/dbraw/zinc/71/31/30/766713130.db2.gz JQPNFFSNRZWXAE-VNHYZAJKSA-N 1 1 327.450 0.367 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH]cn3)CC2)C1 ZINC001046034163 766713402 /nfs/dbraw/zinc/71/34/02/766713402.db2.gz QMRIYZAXDKUBBV-KRWDZBQOSA-N 1 1 329.448 0.584 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnc[nH]3)CC2)C1 ZINC001046034163 766713409 /nfs/dbraw/zinc/71/34/09/766713409.db2.gz QMRIYZAXDKUBBV-KRWDZBQOSA-N 1 1 329.448 0.584 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cnc[nH]3)CC2)C1 ZINC001046034163 766713416 /nfs/dbraw/zinc/71/34/16/766713416.db2.gz QMRIYZAXDKUBBV-KRWDZBQOSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cc(OC)no3)CC2)C1 ZINC001046034286 766713897 /nfs/dbraw/zinc/71/38/97/766713897.db2.gz RIFBNVMYKOXUPS-OAHLLOKOSA-N 1 1 346.431 0.468 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046035572 766721012 /nfs/dbraw/zinc/72/10/12/766721012.db2.gz PMPMNTCPRFTJGE-KRWDZBQOSA-N 1 1 346.475 0.889 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046035573 766721429 /nfs/dbraw/zinc/72/14/29/766721429.db2.gz PMPMNTCPRFTJGE-QGZVFWFLSA-N 1 1 346.475 0.889 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncc(C#C)c2)C1 ZINC000994756152 766723837 /nfs/dbraw/zinc/72/38/37/766723837.db2.gz UMCBNHFFOSCPMA-KRWDZBQOSA-N 1 1 336.395 0.101 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncc(C#C)c2)C1 ZINC000994756152 766723843 /nfs/dbraw/zinc/72/38/43/766723843.db2.gz UMCBNHFFOSCPMA-KRWDZBQOSA-N 1 1 336.395 0.101 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nc(CC)c[nH]3)CC2)C1 ZINC001046036154 766724512 /nfs/dbraw/zinc/72/45/12/766724512.db2.gz BHRMVNVDWGJSDC-KRWDZBQOSA-N 1 1 343.475 0.756 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn4ncccc34)CC2)C1 ZINC001046036226 766726058 /nfs/dbraw/zinc/72/60/58/766726058.db2.gz DDXSSDRFRHZXRZ-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001046037356 766733741 /nfs/dbraw/zinc/73/37/41/766733741.db2.gz XOFVKSMKQREMJA-MOPGFXCFSA-N 1 1 344.503 0.879 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 ZINC001046037527 766733888 /nfs/dbraw/zinc/73/38/88/766733888.db2.gz ROBHIVVZYDQCHQ-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046039223 766742557 /nfs/dbraw/zinc/74/25/57/766742557.db2.gz OGQJUFXPSZAVGQ-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2N(CC(=O)NC)CC3)CC1 ZINC000992513479 766752950 /nfs/dbraw/zinc/75/29/50/766752950.db2.gz VVMRNEDXQGXNIY-APWZRJJASA-N 1 1 346.475 0.191 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc(OC)n3)CC2)C1 ZINC001046043630 766762283 /nfs/dbraw/zinc/76/22/83/766762283.db2.gz BUTQJVSLQHGLQA-OAHLLOKOSA-N 1 1 345.447 0.893 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046044219 766766516 /nfs/dbraw/zinc/76/65/16/766766516.db2.gz KTMNMBWXOFFSHG-IAGOWNOFSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC001046044183 766766523 /nfs/dbraw/zinc/76/65/23/766766523.db2.gz JPWNKOHZOXUAIC-DLBZAZTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(CCOC)nn1 ZINC001089637753 766775745 /nfs/dbraw/zinc/77/57/45/766775745.db2.gz OSEUIBKMOIGNSK-AWEZNQCLSA-N 1 1 333.436 0.778 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(CCOC)nn1 ZINC001089637753 766775754 /nfs/dbraw/zinc/77/57/54/766775754.db2.gz OSEUIBKMOIGNSK-AWEZNQCLSA-N 1 1 333.436 0.778 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001046046993 766776175 /nfs/dbraw/zinc/77/61/75/766776175.db2.gz KNTJHTVYQUJVRL-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1 ZINC001046048033 766778640 /nfs/dbraw/zinc/77/86/40/766778640.db2.gz NUBHFIGBTAGDSE-BRWVUGGUSA-N 1 1 343.475 0.928 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC001046047630 766779003 /nfs/dbraw/zinc/77/90/03/766779003.db2.gz VHYACHNBURQKGG-HNNXBMFYSA-N 1 1 344.415 0.234 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3nc(C)no3)CC2)C1 ZINC001046049149 766783005 /nfs/dbraw/zinc/78/30/05/766783005.db2.gz KVASSCIQFBFQMI-OAHLLOKOSA-N 1 1 333.436 0.715 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)ccn3)CC2)C1 ZINC001046050084 766786443 /nfs/dbraw/zinc/78/64/43/766786443.db2.gz DSLUGSSDEDKHGU-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnn4cccnc34)CC2)C1 ZINC001046051124 766790289 /nfs/dbraw/zinc/79/02/89/766790289.db2.gz XCLDMGLDQRCVDD-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3csc(=O)[nH]3)CC2)C1 ZINC001046053298 766796753 /nfs/dbraw/zinc/79/67/53/766796753.db2.gz XZJLMSKAGQKCIJ-CYBMUJFWSA-N 1 1 334.445 0.704 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC001046055481 766805791 /nfs/dbraw/zinc/80/57/91/766805791.db2.gz YNYGGBBFLHWJKQ-OAHLLOKOSA-N 1 1 345.447 0.568 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3(c4cccnc4)CC3)CC2)C1 ZINC001046055634 766805832 /nfs/dbraw/zinc/80/58/32/766805832.db2.gz GWJWTBDYYOOTKJ-SFHVURJKSA-N 1 1 338.455 0.965 20 30 ECEDMO C=C1CCC(C(=O)N2CCN([C@@H]3CC[N@H+]([C@H](C)C(N)=O)C3)CC2)CC1 ZINC001046058119 766816738 /nfs/dbraw/zinc/81/67/38/766816738.db2.gz COCGRBCIOLGEAH-NVXWUHKLSA-N 1 1 348.491 0.825 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN([C@@H]3CC[N@H+](CC#CC)C3)CC2)c1 ZINC001046060970 766828273 /nfs/dbraw/zinc/82/82/73/766828273.db2.gz GRMRGKUMGRBDQU-LJQANCHMSA-N 1 1 336.439 0.918 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 ZINC001046061582 766829816 /nfs/dbraw/zinc/82/98/16/766829816.db2.gz NYHZJBXVMXEQSX-MAUKXSAKSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCCS2(=O)=O)CC1 ZINC001016745483 766835673 /nfs/dbraw/zinc/83/56/73/766835673.db2.gz OLVFLBZNPGEMRN-CABCVRRESA-N 1 1 338.473 0.948 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC001046063591 766839840 /nfs/dbraw/zinc/83/98/40/766839840.db2.gz RWZWWEKSSSPSIY-BBWFWOEESA-N 1 1 348.491 0.505 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC001046066210 766852344 /nfs/dbraw/zinc/85/23/44/766852344.db2.gz ABXZIQBTCMIASU-TVFCKZIOSA-N 1 1 331.460 0.796 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC001046066751 766855227 /nfs/dbraw/zinc/85/52/27/766855227.db2.gz QCYCOPMXMFESAR-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn(CC=C)nn3)CC2)C1 ZINC001046068056 766861266 /nfs/dbraw/zinc/86/12/66/766861266.db2.gz BVBOAOAHBIUKET-INIZCTEOSA-N 1 1 344.463 0.872 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC001046068450 766863362 /nfs/dbraw/zinc/86/33/62/766863362.db2.gz LLFBATKBKXBFDN-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nn(CC)c3C)CC2)C1 ZINC001046069716 766868888 /nfs/dbraw/zinc/86/88/88/766868888.db2.gz KFGWPGVNGSQWAZ-KRWDZBQOSA-N 1 1 343.475 0.985 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nn(CC)c3C)CC2)C1 ZINC001046069719 766869998 /nfs/dbraw/zinc/86/99/98/766869998.db2.gz KFGWPGVNGSQWAZ-QGZVFWFLSA-N 1 1 343.475 0.985 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)COC3CCOCC3)CC2)C1 ZINC001046071422 766877997 /nfs/dbraw/zinc/87/79/97/766877997.db2.gz VVDVLFPQQPOPRZ-QGZVFWFLSA-N 1 1 349.475 0.424 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCN3CCOCC3)CC2)C1 ZINC001046071306 766878077 /nfs/dbraw/zinc/87/80/77/766878077.db2.gz GSOHXBXZEXHYGA-QGZVFWFLSA-N 1 1 336.480 0.113 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc4ncccn4n3)CC2)C1 ZINC001046072555 766880288 /nfs/dbraw/zinc/88/02/88/766880288.db2.gz IAWSMLVAYLVFAX-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)CN1CC(N)=O ZINC001089652592 766884975 /nfs/dbraw/zinc/88/49/75/766884975.db2.gz HCVLWCPKOKLXLY-GJZGRUSLSA-N 1 1 334.464 0.176 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)CN1CC(N)=O ZINC001089652592 766884985 /nfs/dbraw/zinc/88/49/85/766884985.db2.gz HCVLWCPKOKLXLY-GJZGRUSLSA-N 1 1 334.464 0.176 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC001046078700 766911704 /nfs/dbraw/zinc/91/17/04/766911704.db2.gz OLJPHGNNTWKQIO-ROUUACIJSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)C1 ZINC001046079710 766914253 /nfs/dbraw/zinc/91/42/53/766914253.db2.gz ZWWSJXCAUUGOFZ-OAHLLOKOSA-N 1 1 328.416 0.149 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)C1 ZINC001046079710 766914259 /nfs/dbraw/zinc/91/42/59/766914259.db2.gz ZWWSJXCAUUGOFZ-OAHLLOKOSA-N 1 1 328.416 0.149 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC001046080052 766915723 /nfs/dbraw/zinc/91/57/23/766915723.db2.gz KJGOOBWIZVOQDA-OAHLLOKOSA-N 1 1 340.431 0.518 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046080464 766916893 /nfs/dbraw/zinc/91/68/93/766916893.db2.gz HRBQBTKOAFPVDG-QZTJIDSGSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)Nc3cc(C)on3)CC2)C1 ZINC001046080622 766917279 /nfs/dbraw/zinc/91/72/79/766917279.db2.gz AEQRELIUYWFJEQ-CQSZACIVSA-N 1 1 347.419 0.326 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC001046081676 766920263 /nfs/dbraw/zinc/92/02/63/766920263.db2.gz IDQGUFOPINKCAT-QGZVFWFLSA-N 1 1 348.491 0.794 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046082042 766921056 /nfs/dbraw/zinc/92/10/56/766921056.db2.gz RRLBXTSFDYVWRU-ROUUACIJSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 ZINC001046083567 766923324 /nfs/dbraw/zinc/92/33/24/766923324.db2.gz UGQSWOZTHVPNLJ-INIZCTEOSA-N 1 1 328.416 0.643 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ccnc3C)CC2)C1 ZINC001046084203 766923911 /nfs/dbraw/zinc/92/39/11/766923911.db2.gz MTYXTMXNGNEWFX-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ccnc3C)CC2)C1 ZINC001046084159 766924251 /nfs/dbraw/zinc/92/42/51/766924251.db2.gz KYFBAVWAGIUGCD-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046085134 766926517 /nfs/dbraw/zinc/92/65/17/766926517.db2.gz MBYBCLKRYRFPEO-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(N(C)C)cn3)CC2)C1 ZINC001046086069 766928000 /nfs/dbraw/zinc/92/80/00/766928000.db2.gz GQSATPUDFBMUKV-KRWDZBQOSA-N 1 1 341.459 0.613 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)c(=O)n3C)CC2)C1 ZINC001046086269 766928212 /nfs/dbraw/zinc/92/82/12/766928212.db2.gz UYYPAXORBGKQBR-HNNXBMFYSA-N 1 1 347.463 0.132 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCN([C@H]3CC[N@@H+](CC)C3)CC2)CC1 ZINC001046087117 766929959 /nfs/dbraw/zinc/92/99/59/766929959.db2.gz UJFWUKOTIQEXKY-SFHVURJKSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCN([C@H]3CC[N@H+](CC)C3)CC2)CC1 ZINC001046087117 766929961 /nfs/dbraw/zinc/92/99/61/766929961.db2.gz UJFWUKOTIQEXKY-SFHVURJKSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)OCCc3ccccc32)C1 ZINC001078270208 782594684 /nfs/dbraw/zinc/59/46/84/782594684.db2.gz BZDBUWKCLZJVRD-ZHALLVOQSA-N 1 1 328.412 0.659 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnccn3)C2)C1=O ZINC001046113335 766941365 /nfs/dbraw/zinc/94/13/65/766941365.db2.gz FKKIDRYUXFPZMI-YOEHRIQHSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cnccn3)C2)C1=O ZINC001046113335 766941368 /nfs/dbraw/zinc/94/13/68/766941368.db2.gz FKKIDRYUXFPZMI-YOEHRIQHSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3C)C2)CCC1 ZINC001046119668 766947661 /nfs/dbraw/zinc/94/76/61/766947661.db2.gz GQVAAMHVUZDYRT-UHFFFAOYSA-N 1 1 346.431 0.627 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCC3CC3)C2)C1 ZINC001053832645 766970874 /nfs/dbraw/zinc/97/08/74/766970874.db2.gz MRMTUHMIDJTYSV-SJORKVTESA-N 1 1 331.460 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nc(CCC)no2)C1 ZINC001031740452 766984767 /nfs/dbraw/zinc/98/47/67/766984767.db2.gz CGNANSCBSAYUFJ-HNNXBMFYSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nc(CCC)no2)C1 ZINC001031740452 766984773 /nfs/dbraw/zinc/98/47/73/766984773.db2.gz CGNANSCBSAYUFJ-HNNXBMFYSA-N 1 1 345.447 0.668 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(C)c(C)[nH]c1=O)CO2 ZINC001053843585 766997488 /nfs/dbraw/zinc/99/74/88/766997488.db2.gz QLNYFWGMLUATHY-CQSZACIVSA-N 1 1 346.431 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C)C1 ZINC001040879838 767002674 /nfs/dbraw/zinc/00/26/74/767002674.db2.gz IZNSJZOLMWOQRK-KSSFIOAISA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C)C1 ZINC001040879838 767002683 /nfs/dbraw/zinc/00/26/83/767002683.db2.gz IZNSJZOLMWOQRK-KSSFIOAISA-N 1 1 335.448 0.210 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCCNC3=O)C2)c1 ZINC001031744989 767019355 /nfs/dbraw/zinc/01/93/55/767019355.db2.gz ZVRZWQOTAIQJJP-INIZCTEOSA-N 1 1 326.400 0.632 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)CO2 ZINC001053853562 767026789 /nfs/dbraw/zinc/02/67/89/767026789.db2.gz JAZGQBGQIHLDEV-CYBMUJFWSA-N 1 1 332.404 0.333 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(=O)n(C)c1)CO2 ZINC001053856116 767036252 /nfs/dbraw/zinc/03/62/52/767036252.db2.gz BPUHPJUBBIDMOD-OAHLLOKOSA-N 1 1 331.416 0.925 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3c1OCCC3)CO2 ZINC001053858808 767048365 /nfs/dbraw/zinc/04/83/65/767048365.db2.gz ROQKQOZDXFHRQV-ZDUSSCGKSA-N 1 1 332.404 0.815 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)CO2 ZINC001053865120 767069395 /nfs/dbraw/zinc/06/93/95/767069395.db2.gz RHFKVXHZJVTHGI-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ocnc3C)C2)C1=O ZINC001046215363 767074730 /nfs/dbraw/zinc/07/47/30/767074730.db2.gz CHQYMLJRSCMIDJ-CXAGYDPISA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ocnc3C)C2)C1=O ZINC001046215363 767074737 /nfs/dbraw/zinc/07/47/37/767074737.db2.gz CHQYMLJRSCMIDJ-CXAGYDPISA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046248203 767107875 /nfs/dbraw/zinc/10/78/75/767107875.db2.gz MUMLXRVJWDTKES-YJBOKZPZSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046248203 767107879 /nfs/dbraw/zinc/10/78/79/767107879.db2.gz MUMLXRVJWDTKES-YJBOKZPZSA-N 1 1 341.415 0.867 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001089709772 767112343 /nfs/dbraw/zinc/11/23/43/767112343.db2.gz XVVHJUWQWFGGRC-ZIAGYGMSSA-N 1 1 341.477 0.260 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001089709772 767112344 /nfs/dbraw/zinc/11/23/44/767112344.db2.gz XVVHJUWQWFGGRC-ZIAGYGMSSA-N 1 1 341.477 0.260 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC000938821536 767121027 /nfs/dbraw/zinc/12/10/27/767121027.db2.gz OSIMJKQCTYLDLX-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046288279 767129029 /nfs/dbraw/zinc/12/90/29/767129029.db2.gz NBARANRNBMQADB-PBHICJAKSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046288279 767129030 /nfs/dbraw/zinc/12/90/30/767129030.db2.gz NBARANRNBMQADB-PBHICJAKSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046288283 767129091 /nfs/dbraw/zinc/12/90/91/767129091.db2.gz NFVWNOIGXVTVAM-PBHICJAKSA-N 1 1 328.372 0.747 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046288283 767129093 /nfs/dbraw/zinc/12/90/93/767129093.db2.gz NFVWNOIGXVTVAM-PBHICJAKSA-N 1 1 328.372 0.747 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(Cc3ccccc3C#N)C2)O1 ZINC001031769249 767174234 /nfs/dbraw/zinc/17/42/34/767174234.db2.gz IVZYGBGTWAKIIM-RDTXWAMCSA-N 1 1 342.443 0.825 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(Cc3ccccc3C#N)C2)O1 ZINC001031769249 767174236 /nfs/dbraw/zinc/17/42/36/767174236.db2.gz IVZYGBGTWAKIIM-RDTXWAMCSA-N 1 1 342.443 0.825 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212299969 767188131 /nfs/dbraw/zinc/18/81/31/767188131.db2.gz SORBVLDNHFPQJQ-YLFCFFPRSA-N 1 1 339.480 0.735 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212299969 767188133 /nfs/dbraw/zinc/18/81/33/767188133.db2.gz SORBVLDNHFPQJQ-YLFCFFPRSA-N 1 1 339.480 0.735 20 30 ECEDMO C=CCOCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212299969 767188134 /nfs/dbraw/zinc/18/81/34/767188134.db2.gz SORBVLDNHFPQJQ-YLFCFFPRSA-N 1 1 339.480 0.735 20 30 ECEDMO C=CCOCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212299969 767188136 /nfs/dbraw/zinc/18/81/36/767188136.db2.gz SORBVLDNHFPQJQ-YLFCFFPRSA-N 1 1 339.480 0.735 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001046392670 767191493 /nfs/dbraw/zinc/19/14/93/767191493.db2.gz IQSXDMLEQUPNLJ-IMJJTQAJSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001046392670 767191494 /nfs/dbraw/zinc/19/14/94/767191494.db2.gz IQSXDMLEQUPNLJ-IMJJTQAJSA-N 1 1 343.431 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001046395015 767192808 /nfs/dbraw/zinc/19/28/08/767192808.db2.gz ZKRSPOQJGLJYEU-KDOFPFPSSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001046395015 767192810 /nfs/dbraw/zinc/19/28/10/767192810.db2.gz ZKRSPOQJGLJYEU-KDOFPFPSSA-N 1 1 345.447 0.710 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CN=NC1=O ZINC001089795683 767220865 /nfs/dbraw/zinc/22/08/65/767220865.db2.gz PPJXKFLSBTWEQD-XGUBFFRZSA-N 1 1 331.420 0.729 20 30 ECEDMO Cn1nnnc1C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805104 767233076 /nfs/dbraw/zinc/23/30/76/767233076.db2.gz AGZMFDPZTQREPP-JONQDZQNSA-N 1 1 340.431 0.292 20 30 ECEDMO Cn1nnnc1C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805104 767233077 /nfs/dbraw/zinc/23/30/77/767233077.db2.gz AGZMFDPZTQREPP-JONQDZQNSA-N 1 1 340.431 0.292 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CS(=O)(=O)C1 ZINC001089806638 767234328 /nfs/dbraw/zinc/23/43/28/767234328.db2.gz RJADYCBJSBHSCD-XZDPQHSOSA-N 1 1 336.457 0.223 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cnc3sccn3c2=O)C1 ZINC001046459795 767240082 /nfs/dbraw/zinc/24/00/82/767240082.db2.gz GFPTWIBXIMUTID-MRXNPFEDSA-N 1 1 330.413 0.974 20 30 ECEDMO C=C(Br)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001047321672 767266711 /nfs/dbraw/zinc/26/67/11/767266711.db2.gz IMXFMFYRBWTCPN-AVGNSLFASA-N 1 1 346.269 0.493 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccnc3[nH]cnc32)[C@H](OC)C1 ZINC001212340197 767268840 /nfs/dbraw/zinc/26/88/40/767268840.db2.gz GKGDPOLEIALXKC-ZIAGYGMSSA-N 1 1 345.403 0.590 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046536952 767287674 /nfs/dbraw/zinc/28/76/74/767287674.db2.gz FDEASBBEUIGERD-QAPCUYQASA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908563 767331549 /nfs/dbraw/zinc/33/15/49/767331549.db2.gz VWTYYSJHLPZADT-GJZGRUSLSA-N 1 1 330.432 0.899 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cnc[nH]c2=O)C1 ZINC001089823647 767340038 /nfs/dbraw/zinc/34/00/38/767340038.db2.gz HAXLTFPRGUSFEH-TUUVXOQKSA-N 1 1 326.400 0.988 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001046605752 767356267 /nfs/dbraw/zinc/35/62/67/767356267.db2.gz XILSLDGTOHXJKF-KDOFPFPSSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001046605752 767356275 /nfs/dbraw/zinc/35/62/75/767356275.db2.gz XILSLDGTOHXJKF-KDOFPFPSSA-N 1 1 340.383 0.062 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCCC(=O)N1)CO2 ZINC001053921145 767362826 /nfs/dbraw/zinc/36/28/26/767362826.db2.gz BDSFJDBUENZVDU-LSDHHAIUSA-N 1 1 335.448 0.971 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1cc(C)ncc1C#N ZINC001106147771 767374023 /nfs/dbraw/zinc/37/40/23/767374023.db2.gz XKJXRYNWPYFXEF-NVXWUHKLSA-N 1 1 345.447 0.447 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)CO2 ZINC001053927605 767385726 /nfs/dbraw/zinc/38/57/26/767385726.db2.gz GKNWDARRTFMXIY-QLFBSQMISA-N 1 1 335.448 0.814 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046628897 767396210 /nfs/dbraw/zinc/39/62/10/767396210.db2.gz TZDXYUXJKJQZEB-WWGRRREGSA-N 1 1 332.429 0.822 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046628897 767396221 /nfs/dbraw/zinc/39/62/21/767396221.db2.gz TZDXYUXJKJQZEB-WWGRRREGSA-N 1 1 332.429 0.822 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046629326 767397904 /nfs/dbraw/zinc/39/79/04/767397904.db2.gz CLYCKNKJOLYUNB-RVKKMQEKSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001106154546 767406084 /nfs/dbraw/zinc/40/60/84/767406084.db2.gz KXALUJGEJZEUFB-OAHLLOKOSA-N 1 1 331.420 0.635 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001106158457 767424704 /nfs/dbraw/zinc/42/47/04/767424704.db2.gz TZMPJSCZULQINC-CABCVRRESA-N 1 1 331.420 0.139 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C(N)=O)o1 ZINC001089836775 767432460 /nfs/dbraw/zinc/43/24/60/767432460.db2.gz UEBIJCUYHUXUBZ-FQUUOJAGSA-N 1 1 327.384 0.794 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(OC)n(C)n2)C1 ZINC001089837097 767433640 /nfs/dbraw/zinc/43/36/40/767433640.db2.gz YJJHNMPMQWZWOA-YXWQFLTLSA-N 1 1 328.416 0.844 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(=O)n(CC)n1)CO2 ZINC001053960090 767458248 /nfs/dbraw/zinc/45/82/48/767458248.db2.gz OAQJOGLDDKBOFL-CQSZACIVSA-N 1 1 346.431 0.803 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001046684599 767477587 /nfs/dbraw/zinc/47/75/87/767477587.db2.gz JMNFZAHWGXPBDJ-LSDHHAIUSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046691809 767491870 /nfs/dbraw/zinc/49/18/70/767491870.db2.gz MKCGJESZWYWEAJ-ZIAGYGMSSA-N 1 1 337.464 0.476 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001017039511 767497572 /nfs/dbraw/zinc/49/75/72/767497572.db2.gz YCNZOAKRCJYRPY-GRTSSRMGSA-N 1 1 343.431 0.947 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001017109116 767600775 /nfs/dbraw/zinc/60/07/75/767600775.db2.gz HAXPDHLIOVBGGY-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2Cc3ccccc3C[N@H+]2CCO)nn1 ZINC001054055511 767654092 /nfs/dbraw/zinc/65/40/92/767654092.db2.gz NACLVMLSQCXGSY-INIZCTEOSA-N 1 1 341.415 0.613 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2Cc3ccccc3C[N@@H+]2CCO)nn1 ZINC001054055511 767654094 /nfs/dbraw/zinc/65/40/94/767654094.db2.gz NACLVMLSQCXGSY-INIZCTEOSA-N 1 1 341.415 0.613 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](CCN3C(=O)CCC3=O)C2)C1 ZINC001054099493 767686333 /nfs/dbraw/zinc/68/63/33/767686333.db2.gz JJUIDVPEKSQAQC-KBXCAEBGSA-N 1 1 346.431 0.610 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]21 ZINC001060476467 767688721 /nfs/dbraw/zinc/68/87/21/767688721.db2.gz RMRMRDFNUJBNFX-CKTDYHTKSA-N 1 1 343.406 0.841 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001054102532 767691121 /nfs/dbraw/zinc/69/11/21/767691121.db2.gz OFSGXMFZTGPKBP-CRAIPNDOSA-N 1 1 348.447 0.319 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001054111732 767702198 /nfs/dbraw/zinc/70/21/98/767702198.db2.gz BLNWKRDVBDJLAB-FZKQIMNGSA-N 1 1 343.431 0.949 20 30 ECEDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)C(N)=O)C2)cc1C#N ZINC001017193601 767708029 /nfs/dbraw/zinc/70/80/29/767708029.db2.gz IVXASNNSDWLUAM-CQSZACIVSA-N 1 1 344.415 0.723 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)CNC(C)=O)C[C@H](C)O2 ZINC001111533194 767714235 /nfs/dbraw/zinc/71/42/35/767714235.db2.gz FKZPVAVPVAGZLT-ZDUSSCGKSA-N 1 1 343.855 0.957 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(=O)NC)C2)C1 ZINC001054147099 767742298 /nfs/dbraw/zinc/74/22/98/767742298.db2.gz JURDRBQKKXLSDV-QFBILLFUSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2 ZINC001054153554 767748392 /nfs/dbraw/zinc/74/83/92/767748392.db2.gz SUYLPIAEVNQOSJ-GDBMZVCRSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)S(C)(=O)=O)C2 ZINC001054153556 767749240 /nfs/dbraw/zinc/74/92/40/767749240.db2.gz SUYLPIAEVNQOSJ-HOCLYGCPSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001054155706 767751301 /nfs/dbraw/zinc/75/13/01/767751301.db2.gz XUVNUSVWHXHIET-LJQANCHMSA-N 1 1 346.475 0.098 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@H]3C2)CC1 ZINC000992931626 767804582 /nfs/dbraw/zinc/80/45/82/767804582.db2.gz UJXSGGVZJOLOCM-BZSNNMDCSA-N 1 1 333.476 0.541 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)S(C)(=O)=O)C2 ZINC001054208351 767805777 /nfs/dbraw/zinc/80/57/77/767805777.db2.gz OVLXINUUSVRWRI-MRXNPFEDSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)S(C)(=O)=O)C2 ZINC001054208351 767805783 /nfs/dbraw/zinc/80/57/83/767805783.db2.gz OVLXINUUSVRWRI-MRXNPFEDSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(S(C)(=O)=O)CCC1)C2 ZINC001054221278 767826340 /nfs/dbraw/zinc/82/63/40/767826340.db2.gz VFRBWVSGEUZXHM-INIZCTEOSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(S(C)(=O)=O)CCC1)C2 ZINC001054221278 767826347 /nfs/dbraw/zinc/82/63/47/767826347.db2.gz VFRBWVSGEUZXHM-INIZCTEOSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn([C@@H]3CCOC3)nn1)C2 ZINC001054224312 767829075 /nfs/dbraw/zinc/82/90/75/767829075.db2.gz BKAFSZLCFLYROG-QAPCUYQASA-N 1 1 343.431 0.801 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3n[nH]nc3C1)C2 ZINC001054225679 767832827 /nfs/dbraw/zinc/83/28/27/767832827.db2.gz AFXXDINFIPKSQV-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3[nH]nnc3C1)C2 ZINC001054225679 767832835 /nfs/dbraw/zinc/83/28/35/767832835.db2.gz AFXXDINFIPKSQV-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3[nH]nnc3C1)C2 ZINC001054225679 767832843 /nfs/dbraw/zinc/83/28/43/767832843.db2.gz AFXXDINFIPKSQV-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3nn[nH]c3C1)C2 ZINC001054225679 767832852 /nfs/dbraw/zinc/83/28/52/767832852.db2.gz AFXXDINFIPKSQV-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3nn[nH]c3C1)C2 ZINC001054225679 767832858 /nfs/dbraw/zinc/83/28/58/767832858.db2.gz AFXXDINFIPKSQV-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO C=CCCn1cc(C(=O)NC2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)nn1 ZINC001031079680 767833459 /nfs/dbraw/zinc/83/34/59/767833459.db2.gz GSBINJFNJUBHCA-ZDUSSCGKSA-N 1 1 346.435 0.185 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@H]2CCOC2)CC1 ZINC001017326130 767846435 /nfs/dbraw/zinc/84/64/35/767846435.db2.gz RGZSVSMXDFHTIN-IRXDYDNUSA-N 1 1 345.443 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@H]2CCOC2)CC1 ZINC001017326130 767846442 /nfs/dbraw/zinc/84/64/42/767846442.db2.gz RGZSVSMXDFHTIN-IRXDYDNUSA-N 1 1 345.443 0.395 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nccnc1C(N)=O)C2 ZINC001054238463 767848781 /nfs/dbraw/zinc/84/87/81/767848781.db2.gz VKTJZUSFKORFCS-QGZVFWFLSA-N 1 1 327.388 0.137 20 30 ECEDMO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001106539165 768419191 /nfs/dbraw/zinc/41/91/91/768419191.db2.gz HSKBATGNHJQAEZ-RDBSUJKOSA-N 1 1 330.436 0.807 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nnc3n2CCOC3)[C@@H](C)C1 ZINC001054976850 768492218 /nfs/dbraw/zinc/49/22/18/768492218.db2.gz QCKMSJFFBSFDEQ-STQMWFEESA-N 1 1 333.436 0.957 20 30 ECEDMO C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106641641 768545018 /nfs/dbraw/zinc/54/50/18/768545018.db2.gz BCUCFPDIMNGLCF-OUCADQQQSA-N 1 1 332.408 0.374 20 30 ECEDMO C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106641641 768545024 /nfs/dbraw/zinc/54/50/24/768545024.db2.gz BCUCFPDIMNGLCF-OUCADQQQSA-N 1 1 332.408 0.374 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@]2(C)C1 ZINC000993215878 768546852 /nfs/dbraw/zinc/54/68/52/768546852.db2.gz LEQMTXYLUBTGLP-CLCXKQKWSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@]2(C)C1 ZINC000993215878 768546857 /nfs/dbraw/zinc/54/68/57/768546857.db2.gz LEQMTXYLUBTGLP-CLCXKQKWSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)[C@@H](O)C1 ZINC001083733899 768570038 /nfs/dbraw/zinc/57/00/38/768570038.db2.gz JKFXPXYNYSAKHX-MCIONIFRSA-N 1 1 331.407 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)OCC)C[C@@H]2C1 ZINC001055191203 768650562 /nfs/dbraw/zinc/65/05/62/768650562.db2.gz JOCNVHFPRGIFFG-NCOADZHNSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)OCC)C[C@@H]2C1 ZINC001055191203 768650568 /nfs/dbraw/zinc/65/05/68/768650568.db2.gz JOCNVHFPRGIFFG-NCOADZHNSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C[C@@H](C)OC)C[C@H]2C1 ZINC001055236405 768692121 /nfs/dbraw/zinc/69/21/21/768692121.db2.gz GZGWHZOPOJCAMA-NCOADZHNSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C[C@@H](C)OC)C[C@H]2C1 ZINC001055236405 768692125 /nfs/dbraw/zinc/69/21/25/768692125.db2.gz GZGWHZOPOJCAMA-NCOADZHNSA-N 1 1 347.459 0.426 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nonc3C)C2)nn1 ZINC001098789843 768724116 /nfs/dbraw/zinc/72/41/16/768724116.db2.gz KBIIRKFBJLLYKB-CYBMUJFWSA-N 1 1 331.380 0.722 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H]1C ZINC000993326518 768768626 /nfs/dbraw/zinc/76/86/26/768768626.db2.gz AVCRXZACHXWXSW-KBPBESRZSA-N 1 1 333.432 0.764 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001055361394 768814336 /nfs/dbraw/zinc/81/43/36/768814336.db2.gz JYWGJXGRJSSISG-WCXIOVBPSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001055361394 768814345 /nfs/dbraw/zinc/81/43/45/768814345.db2.gz JYWGJXGRJSSISG-WCXIOVBPSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001055376450 768832118 /nfs/dbraw/zinc/83/21/18/768832118.db2.gz CDNZIYUDUUBZQR-OAGGEKHMSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001055381102 768839434 /nfs/dbraw/zinc/83/94/34/768839434.db2.gz SUMREYVLCRSELV-VQHPVUNQSA-N 1 1 349.475 0.836 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]21 ZINC001042062945 782700993 /nfs/dbraw/zinc/70/09/93/782700993.db2.gz QBWJQHRQPHIFSD-HUUCEWRRSA-N 1 1 345.443 0.718 20 30 ECEDMO Cc1cc(C(=O)NCC[NH+]2CCC(NC(=O)C#CC3CC3)CC2)no1 ZINC001055511704 768980463 /nfs/dbraw/zinc/98/04/63/768980463.db2.gz GDIBNOLTOUUCAN-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO C=CCOCC(=O)NC1CC[NH+](CCNC(=O)[C@H](C)SC)CC1 ZINC001055528730 769012189 /nfs/dbraw/zinc/01/21/89/769012189.db2.gz IBSNGZYQAJSPOR-ZDUSSCGKSA-N 1 1 343.493 0.637 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)CC[NH+]1CCOCC1 ZINC001106797876 769015781 /nfs/dbraw/zinc/01/57/81/769015781.db2.gz AGLAWZIMVNUDTK-UHFFFAOYSA-N 1 1 332.408 0.331 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(c2ccc(C#N)nn2)C3)C1 ZINC001055535300 769040301 /nfs/dbraw/zinc/04/03/01/769040301.db2.gz VNKSGXYTDUAJTK-GLJUWKHASA-N 1 1 340.431 0.775 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055542437 769065259 /nfs/dbraw/zinc/06/52/59/769065259.db2.gz AFHSVEPVGUOERK-INIZCTEOSA-N 1 1 336.480 0.744 20 30 ECEDMO Cc1nc(C)c(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)o1 ZINC001055550824 769093212 /nfs/dbraw/zinc/09/32/12/769093212.db2.gz BMPMOOVVMAYKIM-LLVKDONJSA-N 1 1 347.419 0.762 20 30 ECEDMO C=CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cnnn2C)CC1 ZINC001055568539 769137029 /nfs/dbraw/zinc/13/70/29/769137029.db2.gz CBMRXSPFTSMPEE-UHFFFAOYSA-N 1 1 348.451 0.482 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2csnn2)CC1 ZINC001055575122 769160640 /nfs/dbraw/zinc/16/06/40/769160640.db2.gz NSXRYSYZUJDXHG-UHFFFAOYSA-N 1 1 347.444 0.262 20 30 ECEDMO C#CCCCC(=O)NC1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055577854 769169283 /nfs/dbraw/zinc/16/92/83/769169283.db2.gz CTBPYYZQHPAEOT-UHFFFAOYSA-N 1 1 348.491 0.583 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](C)OC)C2)CC1 ZINC001018357515 769181166 /nfs/dbraw/zinc/18/11/66/769181166.db2.gz GZHWRCMOUQQLNI-HOTGVXAUSA-N 1 1 335.448 0.427 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2ccns2)CC1 ZINC001055586235 769184860 /nfs/dbraw/zinc/18/48/60/769184860.db2.gz QKUMREZCVNPTDH-LLVKDONJSA-N 1 1 335.433 0.613 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H]1C ZINC000993504886 769188711 /nfs/dbraw/zinc/18/87/11/769188711.db2.gz MHLVOVGSARJRJD-UKRRQHHQSA-N 1 1 328.416 0.715 20 30 ECEDMO C=CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001018362270 769198088 /nfs/dbraw/zinc/19/80/88/769198088.db2.gz DZLKOISWYYGDFI-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCN1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001018363854 769203030 /nfs/dbraw/zinc/20/30/30/769203030.db2.gz PMDOYBNSFIVKJM-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2nonc2C)CC1 ZINC001055596246 769215158 /nfs/dbraw/zinc/21/51/58/769215158.db2.gz ZFOBJLCVSGRMCX-UHFFFAOYSA-N 1 1 349.435 0.901 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnon3)C2)CC1 ZINC001018371205 769227967 /nfs/dbraw/zinc/22/79/67/769227967.db2.gz DGAZEPWVEAGQAQ-AWEZNQCLSA-N 1 1 347.419 0.642 20 30 ECEDMO C#CCOCCC(=O)NC1CC[NH+](CCNC(=O)c2cnco2)CC1 ZINC001055604279 769239508 /nfs/dbraw/zinc/23/95/08/769239508.db2.gz WOKXHOSHIBPHSN-UHFFFAOYSA-N 1 1 348.403 0.025 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001055630977 769301455 /nfs/dbraw/zinc/30/14/55/769301455.db2.gz BKOUHSGIAXJZHW-CQSZACIVSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001055632450 769307296 /nfs/dbraw/zinc/30/72/96/769307296.db2.gz VKIZDRZYJQYIFA-GDBMZVCRSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001055632450 769307306 /nfs/dbraw/zinc/30/73/06/769307306.db2.gz VKIZDRZYJQYIFA-GDBMZVCRSA-N 1 1 349.479 0.327 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3sccn3c2=O)[C@@H]1C ZINC000993554279 769309781 /nfs/dbraw/zinc/30/97/81/769309781.db2.gz CHEKSVQCTPPGEP-WCQYABFASA-N 1 1 330.413 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H]1C ZINC000993585795 769310592 /nfs/dbraw/zinc/31/05/92/769310592.db2.gz DDFKKHOUACERRN-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001055644961 769333288 /nfs/dbraw/zinc/33/32/88/769333288.db2.gz KFFUTPUOGMCCHQ-CABCVRRESA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001055644961 769333295 /nfs/dbraw/zinc/33/32/95/769333295.db2.gz KFFUTPUOGMCCHQ-CABCVRRESA-N 1 1 349.479 0.185 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@H]21 ZINC001042099363 782764534 /nfs/dbraw/zinc/76/45/34/782764534.db2.gz AUXQBBMSAMWIRT-GDBMZVCRSA-N 1 1 328.416 0.973 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)s1 ZINC001078357990 782765963 /nfs/dbraw/zinc/76/59/63/782765963.db2.gz GONWUVSFDKXWBI-NWDGAFQWSA-N 1 1 337.449 0.967 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001078358288 782767150 /nfs/dbraw/zinc/76/71/50/782767150.db2.gz NCUTUJKHYGSVQT-OLZOCXBDSA-N 1 1 348.451 0.969 20 30 ECEDMO CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078358312 782767238 /nfs/dbraw/zinc/76/72/38/782767238.db2.gz NROWDEVQQVKZMY-ZIAGYGMSSA-N 1 1 334.424 0.726 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC001018633749 769685492 /nfs/dbraw/zinc/68/54/92/769685492.db2.gz ZYHRWRIPEMXALO-IUCAKERBSA-N 1 1 331.302 0.086 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042105300 782780890 /nfs/dbraw/zinc/78/08/90/782780890.db2.gz YPKBVJPIWJBXEV-CQSZACIVSA-N 1 1 346.431 0.071 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000993929169 769838506 /nfs/dbraw/zinc/83/85/06/769838506.db2.gz HRLMHVZYSXILHD-CYBMUJFWSA-N 1 1 343.431 0.805 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001018748124 769860312 /nfs/dbraw/zinc/86/03/12/769860312.db2.gz SPLSXFBQKCWTFN-ZDUSSCGKSA-N 1 1 342.407 0.677 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001055824658 769862943 /nfs/dbraw/zinc/86/29/43/769862943.db2.gz YIIWAKYLFJSDAK-MAUKXSAKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C ZINC000993915277 769874447 /nfs/dbraw/zinc/87/44/47/769874447.db2.gz JDJLZNJNWCIDHL-ZFWWWQNUSA-N 1 1 348.447 0.633 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001055831999 769894330 /nfs/dbraw/zinc/89/43/30/769894330.db2.gz FGVFZGOGPVJQPD-OKILXGFUSA-N 1 1 328.420 0.870 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001055839025 769924396 /nfs/dbraw/zinc/92/43/96/769924396.db2.gz YPZHJXKFVFYVTR-MAUKXSAKSA-N 1 1 335.448 0.210 20 30 ECEDMO C[C@@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001089356254 769935732 /nfs/dbraw/zinc/93/57/32/769935732.db2.gz WFZLSIFAGWHUHS-KBPBESRZSA-N 1 1 346.435 0.188 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)C[C@@H]21 ZINC001042110415 782790857 /nfs/dbraw/zinc/79/08/57/782790857.db2.gz WJHIJWBGQMMYMH-CABCVRRESA-N 1 1 338.415 0.992 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC000993989863 769970907 /nfs/dbraw/zinc/97/09/07/769970907.db2.gz PVWAPYZBFCDFCC-CABCVRRESA-N 1 1 348.451 0.724 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]21 ZINC001042116179 782798367 /nfs/dbraw/zinc/79/83/67/782798367.db2.gz IMYLMMNCCZQZPX-DOTOQJQBSA-N 1 1 340.427 0.669 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001055910154 770177997 /nfs/dbraw/zinc/17/79/97/770177997.db2.gz ICHSJILTVUVABF-VQIMIIECSA-N 1 1 349.475 0.601 20 30 ECEDMO N#Cc1cnc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)cn1 ZINC001055912670 770190060 /nfs/dbraw/zinc/19/00/60/770190060.db2.gz OATRBPIUQBJIKQ-GDBMZVCRSA-N 1 1 340.431 0.871 20 30 ECEDMO N#Cc1cnc(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)cn1 ZINC001055912671 770190109 /nfs/dbraw/zinc/19/01/09/770190109.db2.gz OATRBPIUQBJIKQ-GOEBONIOSA-N 1 1 340.431 0.871 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001055923146 770230860 /nfs/dbraw/zinc/23/08/60/770230860.db2.gz BIZFDICXMGXWFA-HNNXBMFYSA-N 1 1 342.447 0.975 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001055923579 770233362 /nfs/dbraw/zinc/23/33/62/770233362.db2.gz IRKGGYZDELNHKG-HNNXBMFYSA-N 1 1 342.447 0.975 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H]1C ZINC000994176064 770260572 /nfs/dbraw/zinc/26/05/72/770260572.db2.gz JJZTYLXRYGREFO-LSDHHAIUSA-N 1 1 347.463 0.926 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001055930837 770261176 /nfs/dbraw/zinc/26/11/76/770261176.db2.gz ADXGQXBDIJKFLP-QFBILLFUSA-N 1 1 349.475 0.457 20 30 ECEDMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1 ZINC001078384364 782822677 /nfs/dbraw/zinc/82/26/77/782822677.db2.gz UXYJDPLKYQSWRG-CQSZACIVSA-N 1 1 344.375 0.599 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000994197703 770287357 /nfs/dbraw/zinc/28/73/57/770287357.db2.gz KCPWONRMTWUKIS-INIZCTEOSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000994197703 770287360 /nfs/dbraw/zinc/28/73/60/770287360.db2.gz KCPWONRMTWUKIS-INIZCTEOSA-N 1 1 346.431 0.335 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@H]21 ZINC001042132050 782825945 /nfs/dbraw/zinc/82/59/45/782825945.db2.gz CNKXHLZIZIYKFT-NWDGAFQWSA-N 1 1 337.401 0.097 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055952303 770338565 /nfs/dbraw/zinc/33/85/65/770338565.db2.gz ATMJELALABYGEF-KDOFPFPSSA-N 1 1 337.464 0.620 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)[C@H]2C)cn1 ZINC000994244133 770398026 /nfs/dbraw/zinc/39/80/26/770398026.db2.gz BHAXIEJANCDNBF-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)[C@H]2C)cn1 ZINC000994244133 770398036 /nfs/dbraw/zinc/39/80/36/770398036.db2.gz BHAXIEJANCDNBF-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@@H]21 ZINC001042142997 782845357 /nfs/dbraw/zinc/84/53/57/782845357.db2.gz SGJKYZFCWFSQOH-ZBFHGGJFSA-N 1 1 346.431 0.612 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001056017790 770564174 /nfs/dbraw/zinc/56/41/74/770564174.db2.gz UNEZDEAXTZEFKY-UHFFFAOYSA-N 1 1 328.420 0.729 20 30 ECEDMO O=C(C#CC1CC1)N1CCCO[C@@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001078398118 782868685 /nfs/dbraw/zinc/86/86/85/782868685.db2.gz KOGCAVRIHBAHHG-HNNXBMFYSA-N 1 1 349.410 0.368 20 30 ECEDMO Cc1ccnc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 ZINC001078398500 782869941 /nfs/dbraw/zinc/86/99/41/782869941.db2.gz OHKURVNKRFSYIN-INIZCTEOSA-N 1 1 328.416 0.906 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 ZINC001056097785 770819747 /nfs/dbraw/zinc/81/97/47/770819747.db2.gz VMSNDTVMMNMHFI-RHSMWYFYSA-N 1 1 338.452 0.348 20 30 ECEDMO CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)nn1 ZINC001078399230 782872199 /nfs/dbraw/zinc/87/21/99/782872199.db2.gz YSKDGWQRCLAKAH-MRXNPFEDSA-N 1 1 331.420 0.419 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001060693842 770976474 /nfs/dbraw/zinc/97/64/74/770976474.db2.gz QDEWOLQFPBGFGV-QAETUUGQSA-N 1 1 349.475 0.910 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@H]21 ZINC001056225349 771018723 /nfs/dbraw/zinc/01/87/23/771018723.db2.gz DTUAUTIHNRKUEO-FOLVSLTJSA-N 1 1 337.387 0.413 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)CC(C)(C)C1 ZINC001089408636 771088309 /nfs/dbraw/zinc/08/83/09/771088309.db2.gz KKJJHMBNKWHIGP-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC(C)(C)C1 ZINC001089422975 771120163 /nfs/dbraw/zinc/12/01/63/771120163.db2.gz DKXLEFSDXLKXEW-HNNXBMFYSA-N 1 1 334.464 0.000 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]21 ZINC001042179508 782898992 /nfs/dbraw/zinc/89/89/92/782898992.db2.gz NHLXHMIXVWUCSO-CVEARBPZSA-N 1 1 342.443 0.957 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001056354937 771163418 /nfs/dbraw/zinc/16/34/18/771163418.db2.gz BQQKLTGYXRXDAV-RSUWNVLCSA-N 1 1 326.404 0.383 20 30 ECEDMO CN(CCOCCNc1ccncc1C#N)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001127443677 771216682 /nfs/dbraw/zinc/21/66/82/771216682.db2.gz RYLVWMRNKVGLRX-KRWDZBQOSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)C[N@H+](C)C(C)C ZINC001056401261 771225944 /nfs/dbraw/zinc/22/59/44/771225944.db2.gz CTTKOFDIGZPRDD-IXDOHACOSA-N 1 1 349.475 0.957 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)C[N@H+](C)CCC ZINC001056402245 771227783 /nfs/dbraw/zinc/22/77/83/771227783.db2.gz OAHNJOBDVYOEBR-IXDOHACOSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)C[N@H+](C)C(C)C ZINC001056405114 771233720 /nfs/dbraw/zinc/23/37/20/771233720.db2.gz IQOCTMHUNUYYHH-DLBZAZTESA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001019443397 771295018 /nfs/dbraw/zinc/29/50/18/771295018.db2.gz OHJONXPDWXPLPB-AWEZNQCLSA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127472784 771301363 /nfs/dbraw/zinc/30/13/63/771301363.db2.gz UIKLNVSFKZWBAL-ZFWWWQNUSA-N 1 1 346.435 0.433 20 30 ECEDMO COC(=O)[C@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031580972 771337478 /nfs/dbraw/zinc/33/74/78/771337478.db2.gz XTKOFELBJABCFM-KGLIPLIRSA-N 1 1 333.413 0.977 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncc(C)cn3)C2)nn1 ZINC001019493587 771357986 /nfs/dbraw/zinc/35/79/86/771357986.db2.gz FIWZJAUJBAFVNV-AWEZNQCLSA-N 1 1 341.419 0.957 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C#CC(C)C ZINC001212241473 771385509 /nfs/dbraw/zinc/38/55/09/771385509.db2.gz SHTPGJHVPHUEOY-BRWVUGGUSA-N 1 1 340.464 0.495 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC(C)(C)C1 ZINC001089535901 771411648 /nfs/dbraw/zinc/41/16/48/771411648.db2.gz XBRUXEAAWQSTDC-CQSZACIVSA-N 1 1 348.447 0.558 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001056599226 771419347 /nfs/dbraw/zinc/41/93/47/771419347.db2.gz COGHXKCHJFEXQM-TZMCWYRMSA-N 1 1 349.822 0.950 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001056599226 771419348 /nfs/dbraw/zinc/41/93/48/771419348.db2.gz COGHXKCHJFEXQM-TZMCWYRMSA-N 1 1 349.822 0.950 20 30 ECEDMO Cc1nc(N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001056599256 771419424 /nfs/dbraw/zinc/41/94/24/771419424.db2.gz DKZPOXGSANGSMV-HUUCEWRRSA-N 1 1 329.404 0.605 20 30 ECEDMO Cc1nc(N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001056599256 771419426 /nfs/dbraw/zinc/41/94/26/771419426.db2.gz DKZPOXGSANGSMV-HUUCEWRRSA-N 1 1 329.404 0.605 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCCO1 ZINC001089544237 771438883 /nfs/dbraw/zinc/43/88/83/771438883.db2.gz UIZIDSGZGVKNST-OAHLLOKOSA-N 1 1 346.435 0.400 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001060735373 771457683 /nfs/dbraw/zinc/45/76/83/771457683.db2.gz UERYUKNZNNGELB-ULQDDVLXSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(C)ncn3)C2)C1=O ZINC001031620018 771472786 /nfs/dbraw/zinc/47/27/86/771472786.db2.gz VBVCFOUMNRUGRP-OAHLLOKOSA-N 1 1 329.404 0.234 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)CC(C)(C)C1 ZINC001089555987 771474375 /nfs/dbraw/zinc/47/43/75/771474375.db2.gz OPQHVKHTDQTBHA-GFCCVEGCSA-N 1 1 329.404 0.429 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccnc4c3nnn4C)C[C@H]21 ZINC001042201978 782931288 /nfs/dbraw/zinc/93/12/88/782931288.db2.gz SZGCOYFQVDCKCO-DZGCQCFKSA-N 1 1 338.415 0.923 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)C2CCN(C(=O)C3CC3)CC2)C1=O ZINC001089568292 771527353 /nfs/dbraw/zinc/52/73/53/771527353.db2.gz JVWYQPVQJSGRHJ-INIZCTEOSA-N 1 1 335.448 0.469 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCCO1 ZINC001019611147 771592128 /nfs/dbraw/zinc/59/21/28/771592128.db2.gz BYVUOZYMKIXQAF-QAETUUGQSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCCO1 ZINC001019611147 771592131 /nfs/dbraw/zinc/59/21/31/771592131.db2.gz BYVUOZYMKIXQAF-QAETUUGQSA-N 1 1 347.459 0.474 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001056760748 771602119 /nfs/dbraw/zinc/60/21/19/771602119.db2.gz KRWLXHGNQAOWRT-UKRRQHHQSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001056760748 771602121 /nfs/dbraw/zinc/60/21/21/771602121.db2.gz KRWLXHGNQAOWRT-UKRRQHHQSA-N 1 1 344.419 0.470 20 30 ECEDMO Cc1nsc(N(C)[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001056880169 771757630 /nfs/dbraw/zinc/75/76/30/771757630.db2.gz WOLPHWJKZPLFEM-JSGCOSHPSA-N 1 1 349.460 0.691 20 30 ECEDMO Cc1nsc(N(C)[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001056880169 771757631 /nfs/dbraw/zinc/75/76/31/771757631.db2.gz WOLPHWJKZPLFEM-JSGCOSHPSA-N 1 1 349.460 0.691 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001078439194 782952500 /nfs/dbraw/zinc/95/25/00/782952500.db2.gz JSGOSBDKGVNNTL-CYBMUJFWSA-N 1 1 336.440 0.520 20 30 ECEDMO CCc1nc(C#N)cc(N(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001056926743 771815327 /nfs/dbraw/zinc/81/53/27/771815327.db2.gz OPCVHFHBEIBSCN-DZGCQCFKSA-N 1 1 342.447 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2ncc(F)cn2)C1 ZINC001057060445 772014600 /nfs/dbraw/zinc/01/46/00/772014600.db2.gz KVTTXXGDCOEJBY-CABCVRRESA-N 1 1 331.395 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2ncc(F)cn2)C1 ZINC001057060445 772014605 /nfs/dbraw/zinc/01/46/05/772014605.db2.gz KVTTXXGDCOEJBY-CABCVRRESA-N 1 1 331.395 0.750 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3ccncc3C#N)C2)O1 ZINC001057062390 772018743 /nfs/dbraw/zinc/01/87/43/772018743.db2.gz PEXOEZWPLXXGKB-FRFSOERESA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3ccncc3C#N)C2)O1 ZINC001057062390 772018746 /nfs/dbraw/zinc/01/87/46/772018746.db2.gz PEXOEZWPLXXGKB-FRFSOERESA-N 1 1 343.431 0.709 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001057144392 772160924 /nfs/dbraw/zinc/16/09/24/772160924.db2.gz PURLMGOTAHKMEH-OAHLLOKOSA-N 1 1 343.468 0.247 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]21 ZINC001042254228 782989475 /nfs/dbraw/zinc/98/94/75/782989475.db2.gz JFFFOXRAJUILON-GOEBONIOSA-N 1 1 338.473 0.757 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057234441 772318202 /nfs/dbraw/zinc/31/82/02/772318202.db2.gz CHJMAKAKLKYGGO-UKRRQHHQSA-N 1 1 328.420 0.585 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2ncc(F)cn2)CC1 ZINC001057252807 772347163 /nfs/dbraw/zinc/34/71/63/772347163.db2.gz PYMORDIEZZZFKH-HNNXBMFYSA-N 1 1 331.395 0.752 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2ncc(F)cn2)CC1 ZINC001057252807 772347169 /nfs/dbraw/zinc/34/71/69/772347169.db2.gz PYMORDIEZZZFKH-HNNXBMFYSA-N 1 1 331.395 0.752 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ncccn2)C1 ZINC001020250851 772352211 /nfs/dbraw/zinc/35/22/11/772352211.db2.gz URMRYAKHYHHCFV-FPCVCCKLSA-N 1 1 327.432 0.872 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3cncc(C#N)n3)CC2)C1 ZINC001057337103 772483282 /nfs/dbraw/zinc/48/32/82/772483282.db2.gz KRIRYSKZJAHEES-OAHLLOKOSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3cncc(C#N)n3)CC2)C1 ZINC001057337103 772483284 /nfs/dbraw/zinc/48/32/84/772483284.db2.gz KRIRYSKZJAHEES-OAHLLOKOSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC(Nc3ccnc(C#N)n3)CC2)C1 ZINC001057346220 772494759 /nfs/dbraw/zinc/49/47/59/772494759.db2.gz LBZNEMYOWJRWPV-CYBMUJFWSA-N 1 1 328.420 0.515 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001057445046 772621949 /nfs/dbraw/zinc/62/19/49/772621949.db2.gz DZTYHWMLBAYQFT-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057446474 772623388 /nfs/dbraw/zinc/62/33/88/772623388.db2.gz DJOXPHDDXVOIOM-IAGOWNOFSA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(CNc3nccnc3C#N)CC2)C1 ZINC001057483527 772671898 /nfs/dbraw/zinc/67/18/98/772671898.db2.gz AOTKMLMDGAQZSW-OAHLLOKOSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(CNc3nccnc3C#N)CC2)C1 ZINC001057483527 772671902 /nfs/dbraw/zinc/67/19/02/772671902.db2.gz AOTKMLMDGAQZSW-OAHLLOKOSA-N 1 1 344.419 0.329 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001057524131 772715749 /nfs/dbraw/zinc/71/57/49/772715749.db2.gz AGNFOWRZBIUGHR-OAHLLOKOSA-N 1 1 346.431 0.357 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001057525447 772718172 /nfs/dbraw/zinc/71/81/72/772718172.db2.gz TZZMEYWFQOUZSH-IRXDYDNUSA-N 1 1 349.475 0.600 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ncccc3C#N)C2)C1 ZINC001057600747 772797508 /nfs/dbraw/zinc/79/75/08/772797508.db2.gz FPIGVTOQHVWMOI-LSDHHAIUSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ncccc3C#N)C2)C1 ZINC001057600747 772797511 /nfs/dbraw/zinc/79/75/11/772797511.db2.gz FPIGVTOQHVWMOI-LSDHHAIUSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001057602273 772800711 /nfs/dbraw/zinc/80/07/11/772800711.db2.gz RLWNJHZPUTVQQB-OCCSQVGLSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001057602273 772800714 /nfs/dbraw/zinc/80/07/14/772800714.db2.gz RLWNJHZPUTVQQB-OCCSQVGLSA-N 1 1 330.392 0.082 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057635942 772842607 /nfs/dbraw/zinc/84/26/07/772842607.db2.gz LDNBNJNHTFSIDA-CQSZACIVSA-N 1 1 325.453 0.478 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](Nc3nccnc3C#N)C2)O1 ZINC001057774877 772975643 /nfs/dbraw/zinc/97/56/43/772975643.db2.gz YSDQIQGHUUHXHT-VNHYZAJKSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](Nc3nccnc3C#N)C2)O1 ZINC001057774877 772975645 /nfs/dbraw/zinc/97/56/45/772975645.db2.gz YSDQIQGHUUHXHT-VNHYZAJKSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(c2cncc(C#N)n2)CC1 ZINC001057812220 773015086 /nfs/dbraw/zinc/01/50/86/773015086.db2.gz YFUSBPDHIPPNOA-XJKSGUPXSA-N 1 1 342.447 0.879 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C=C(/C)CC ZINC001057960897 773289114 /nfs/dbraw/zinc/28/91/14/773289114.db2.gz AITUVUQGNNZIKN-FCFCDCELSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C=C(/C)CC ZINC001057960897 773289116 /nfs/dbraw/zinc/28/91/16/773289116.db2.gz AITUVUQGNNZIKN-FCFCDCELSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@H]1C=CCC1 ZINC001057961025 773289764 /nfs/dbraw/zinc/28/97/64/773289764.db2.gz GGHSKXDPAQXXMO-IRXDYDNUSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@H]1C=CCC1 ZINC001057961025 773289772 /nfs/dbraw/zinc/28/97/72/773289772.db2.gz GGHSKXDPAQXXMO-IRXDYDNUSA-N 1 1 347.459 0.377 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N ZINC001058054952 773442677 /nfs/dbraw/zinc/44/26/77/773442677.db2.gz UDEBGBDIVSQKCH-HUUCEWRRSA-N 1 1 338.452 0.204 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(c2nccnc2C#N)CC1 ZINC001058056522 773446816 /nfs/dbraw/zinc/44/68/16/773446816.db2.gz ZLFPXGSGVVXADW-ZDUSSCGKSA-N 1 1 328.420 0.727 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058134535 773604525 /nfs/dbraw/zinc/60/45/25/773604525.db2.gz HNIUHVBPZCTFLO-CABCVRRESA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058134535 773604528 /nfs/dbraw/zinc/60/45/28/773604528.db2.gz HNIUHVBPZCTFLO-CABCVRRESA-N 1 1 329.404 0.369 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(c2nc(C)cc(C#N)n2)C1 ZINC001058164370 773675413 /nfs/dbraw/zinc/67/54/13/773675413.db2.gz QCFJAZVCVREBIN-CQSZACIVSA-N 1 1 339.403 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(C)CCCC1 ZINC001058192252 773740075 /nfs/dbraw/zinc/74/00/75/773740075.db2.gz SNTUVSUJHMZMND-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(C)CCCC1 ZINC001058192252 773740080 /nfs/dbraw/zinc/74/00/80/773740080.db2.gz SNTUVSUJHMZMND-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058241617 773829116 /nfs/dbraw/zinc/82/91/16/773829116.db2.gz VJODGCHVKZMDHC-KBPBESRZSA-N 1 1 328.420 0.918 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001058252832 773847075 /nfs/dbraw/zinc/84/70/75/773847075.db2.gz ZMLVNGVUHLOWJT-UHFFFAOYSA-N 1 1 349.435 0.169 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001040636284 783147858 /nfs/dbraw/zinc/14/78/58/783147858.db2.gz GQURAKFCBUWESP-JJRVBVJISA-N 1 1 325.416 0.942 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001058444585 774194340 /nfs/dbraw/zinc/19/43/40/774194340.db2.gz XCNPOBDURDUQPM-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058447069 774200094 /nfs/dbraw/zinc/20/00/94/774200094.db2.gz OORKLHZTSWZKQC-UKRRQHHQSA-N 1 1 328.420 0.916 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 ZINC001058447205 774200548 /nfs/dbraw/zinc/20/05/48/774200548.db2.gz SHDXOVXYBLCAJV-UKRRQHHQSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(C)co1 ZINC001058462084 774228542 /nfs/dbraw/zinc/22/85/42/774228542.db2.gz IVNYJNURDOXDCO-HNNXBMFYSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(C)co1 ZINC001058462084 774228546 /nfs/dbraw/zinc/22/85/46/774228546.db2.gz IVNYJNURDOXDCO-HNNXBMFYSA-N 1 1 347.415 0.236 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001058464219 774234427 /nfs/dbraw/zinc/23/44/27/774234427.db2.gz QYPWLNMZPAIDIK-OAHLLOKOSA-N 1 1 327.469 0.868 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001058516684 774344760 /nfs/dbraw/zinc/34/47/60/774344760.db2.gz QIRCOYMXNZGXFY-ZFWWWQNUSA-N 1 1 328.420 0.836 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)C1 ZINC001058521276 774353246 /nfs/dbraw/zinc/35/32/46/774353246.db2.gz ITYVMGGLFCDARZ-KGLIPLIRSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)C1 ZINC001058521276 774353254 /nfs/dbraw/zinc/35/32/54/774353254.db2.gz ITYVMGGLFCDARZ-KGLIPLIRSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)c2cc(CC)[nH]n2)C1=O ZINC001044933977 774743532 /nfs/dbraw/zinc/74/35/32/774743532.db2.gz ZBGSZZCSHGBLOH-GJZGRUSLSA-N 1 1 345.447 0.953 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001044980476 774795010 /nfs/dbraw/zinc/79/50/10/774795010.db2.gz NCFGXMGXOKTZJZ-STQMWFEESA-N 1 1 334.420 0.339 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001044985245 774800739 /nfs/dbraw/zinc/80/07/39/774800739.db2.gz IHEMTNLLCHVKNM-KBPBESRZSA-N 1 1 325.453 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1noc(CC)n1 ZINC001045073632 774936884 /nfs/dbraw/zinc/93/68/84/774936884.db2.gz LVPIVFJPTKILMU-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1noc(CC)n1 ZINC001045073632 774936888 /nfs/dbraw/zinc/93/68/88/774936888.db2.gz LVPIVFJPTKILMU-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+][C@@H](C)c2nnnn2C)nc1 ZINC001045280036 775308769 /nfs/dbraw/zinc/30/87/69/775308769.db2.gz ZMOLRPLGZVSBCO-JSGCOSHPSA-N 1 1 339.403 0.542 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC(=C)C)C[C@@H]2n2ccnn2)c1 ZINC001070022451 790354635 /nfs/dbraw/zinc/35/46/35/790354635.db2.gz QDILIXIPYYXACT-SJORKVTESA-N 1 1 336.399 0.886 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC(=C)C)C[C@@H]2n2ccnn2)c1 ZINC001070022451 790354646 /nfs/dbraw/zinc/35/46/46/790354646.db2.gz QDILIXIPYYXACT-SJORKVTESA-N 1 1 336.399 0.886 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]2C[NH2+]C[C@H]2CCOC2)CC1 ZINC001045321609 775411364 /nfs/dbraw/zinc/41/13/64/775411364.db2.gz YJEZSMBOYDNIMO-AEFFLSMTSA-N 1 1 333.476 0.949 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044011649 775509859 /nfs/dbraw/zinc/50/98/59/775509859.db2.gz SUFZHIIIUHJBAG-AWEZNQCLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044012006 775511309 /nfs/dbraw/zinc/51/13/09/775511309.db2.gz ZDACAQXLBPHQTK-AWEZNQCLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044012012 775512245 /nfs/dbraw/zinc/51/22/45/775512245.db2.gz ZFWONTIMLLMKHH-YOEHRIQHSA-N 1 1 337.464 0.620 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2C#N)C1 ZINC001045430785 775602803 /nfs/dbraw/zinc/60/28/03/775602803.db2.gz OOBBRRYYLSBYNN-BRWVUGGUSA-N 1 1 343.431 0.545 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2C#N)C1 ZINC001045430785 775602811 /nfs/dbraw/zinc/60/28/11/775602811.db2.gz OOBBRRYYLSBYNN-BRWVUGGUSA-N 1 1 343.431 0.545 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001068497183 790409700 /nfs/dbraw/zinc/40/97/00/790409700.db2.gz NLDUWBQCYDFXOX-JYJNAYRXSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001068497183 790409708 /nfs/dbraw/zinc/40/97/08/790409708.db2.gz NLDUWBQCYDFXOX-JYJNAYRXSA-N 1 1 343.431 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C(=C)C)C1 ZINC001044417972 776288188 /nfs/dbraw/zinc/28/81/88/776288188.db2.gz GZZSBNWABFBVIN-HNNXBMFYSA-N 1 1 347.459 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C(=C)C)C1 ZINC001044417972 776288197 /nfs/dbraw/zinc/28/81/97/776288197.db2.gz GZZSBNWABFBVIN-HNNXBMFYSA-N 1 1 347.459 0.376 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001044528147 776400972 /nfs/dbraw/zinc/40/09/72/776400972.db2.gz WWFLSCRHJVQPPO-ZYHUDNBSSA-N 1 1 328.380 0.193 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001044538277 776408192 /nfs/dbraw/zinc/40/81/92/776408192.db2.gz KRBLMFXCJJDZJV-WQVCFCJDSA-N 1 1 329.404 0.103 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001079627138 776549184 /nfs/dbraw/zinc/54/91/84/776549184.db2.gz OAVQVIBHBDXTMS-DAXOMENPSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001079627138 776549193 /nfs/dbraw/zinc/54/91/93/776549193.db2.gz OAVQVIBHBDXTMS-DAXOMENPSA-N 1 1 343.431 0.622 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001079680632 776673750 /nfs/dbraw/zinc/67/37/50/776673750.db2.gz BDHLLHUVKBKLHW-UHFFFAOYSA-N 1 1 335.448 0.572 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001079682300 776675986 /nfs/dbraw/zinc/67/59/86/776675986.db2.gz XHXDFLSMRQVUGC-KRWDZBQOSA-N 1 1 329.444 0.947 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001079682300 776675996 /nfs/dbraw/zinc/67/59/96/776675996.db2.gz XHXDFLSMRQVUGC-KRWDZBQOSA-N 1 1 329.444 0.947 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079681814 776676323 /nfs/dbraw/zinc/67/63/23/776676323.db2.gz CVAPKIJXINPWPO-GDBMZVCRSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079681814 776676326 /nfs/dbraw/zinc/67/63/26/776676326.db2.gz CVAPKIJXINPWPO-GDBMZVCRSA-N 1 1 335.448 0.568 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001079689590 776691126 /nfs/dbraw/zinc/69/11/26/776691126.db2.gz GJYHIASAEQPDAH-GOSISDBHSA-N 1 1 337.464 0.857 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704298 776730388 /nfs/dbraw/zinc/73/03/88/776730388.db2.gz SHMQQZALVALPNS-IUODEOHRSA-N 1 1 325.376 0.181 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704365 776730556 /nfs/dbraw/zinc/73/05/56/776730556.db2.gz WOGCENAGDGBQPM-CZUORRHYSA-N 1 1 342.378 0.300 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704365 776730559 /nfs/dbraw/zinc/73/05/59/776730559.db2.gz WOGCENAGDGBQPM-CZUORRHYSA-N 1 1 342.378 0.300 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001079773318 776841298 /nfs/dbraw/zinc/84/12/98/776841298.db2.gz GLYQZZWFKMNCDE-UHFFFAOYSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)/C(C)=C\C)CCOCC1 ZINC001070064999 790489040 /nfs/dbraw/zinc/48/90/40/790489040.db2.gz IOKVTUIFXXIIQR-DNBBOTNYSA-N 1 1 347.459 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)/C(C)=C\C)CCOCC1 ZINC001070064999 790489049 /nfs/dbraw/zinc/48/90/49/790489049.db2.gz IOKVTUIFXXIIQR-DNBBOTNYSA-N 1 1 347.459 0.832 20 30 ECEDMO CCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C1CN(C(=O)C#CC(C)C)C1 ZINC001079804710 776904842 /nfs/dbraw/zinc/90/48/42/776904842.db2.gz MOTSRRCMBXIMHW-INIZCTEOSA-N 1 1 349.475 0.673 20 30 ECEDMO CCN(C(=O)Cn1cc[nH+]c1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001079806137 776909267 /nfs/dbraw/zinc/90/92/67/776909267.db2.gz SPGIGWIGOMCWFS-UHFFFAOYSA-N 1 1 340.387 0.764 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001079807712 776912233 /nfs/dbraw/zinc/91/22/33/776912233.db2.gz LXMPNJREFDKJPA-ZIAGYGMSSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001079917400 777075354 /nfs/dbraw/zinc/07/53/54/777075354.db2.gz BGCWMMUCJXBROG-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001079980977 777187430 /nfs/dbraw/zinc/18/74/30/777187430.db2.gz GABOXCUHUVURRB-UHFFFAOYSA-N 1 1 334.420 0.844 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001079981757 777189163 /nfs/dbraw/zinc/18/91/63/777189163.db2.gz ZVOJFPRKDNLKPG-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001079986736 777195235 /nfs/dbraw/zinc/19/52/35/777195235.db2.gz PUDCOPSYSDUJMA-CHWSQXEVSA-N 1 1 327.388 0.811 20 30 ECEDMO CC#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080015451 777233854 /nfs/dbraw/zinc/23/38/54/777233854.db2.gz LOCNFULZUSCKTC-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO CC#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080015451 777233863 /nfs/dbraw/zinc/23/38/63/777233863.db2.gz LOCNFULZUSCKTC-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC=C)C[C@@H]2n2ccnn2)nc1 ZINC001070078701 790529740 /nfs/dbraw/zinc/52/97/40/790529740.db2.gz LWPDGXAMADHXIE-SJORKVTESA-N 1 1 336.399 0.886 20 30 ECEDMO C#CCCCCC(=O)N1CC(N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001080096758 777383282 /nfs/dbraw/zinc/38/32/82/777383282.db2.gz UZDXFHZXLUINIY-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070083982 790545574 /nfs/dbraw/zinc/54/55/74/790545574.db2.gz VEIMMSUBJNIXRP-ZNMIVQPWSA-N 1 1 346.435 0.255 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070083982 790545585 /nfs/dbraw/zinc/54/55/85/790545585.db2.gz VEIMMSUBJNIXRP-ZNMIVQPWSA-N 1 1 346.435 0.255 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080347910 777725997 /nfs/dbraw/zinc/72/59/97/777725997.db2.gz PJIOTDNGCDBGEL-RHSMWYFYSA-N 1 1 336.395 0.872 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080347910 777726009 /nfs/dbraw/zinc/72/60/09/777726009.db2.gz PJIOTDNGCDBGEL-RHSMWYFYSA-N 1 1 336.395 0.872 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360531 777747676 /nfs/dbraw/zinc/74/76/76/777747676.db2.gz BUVMALOJZXLCAP-DAXOMENPSA-N 1 1 344.390 0.295 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360531 777747681 /nfs/dbraw/zinc/74/76/81/777747681.db2.gz BUVMALOJZXLCAP-DAXOMENPSA-N 1 1 344.390 0.295 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360934 777749598 /nfs/dbraw/zinc/74/95/98/777749598.db2.gz OAPYEMRNBGLKDP-VCTAVGKDSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360934 777749609 /nfs/dbraw/zinc/74/96/09/777749609.db2.gz OAPYEMRNBGLKDP-VCTAVGKDSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080361210 777750080 /nfs/dbraw/zinc/75/00/80/777750080.db2.gz XCUXJOOWUJMVOZ-WKPIXPDZSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080361210 777750088 /nfs/dbraw/zinc/75/00/88/777750088.db2.gz XCUXJOOWUJMVOZ-WKPIXPDZSA-N 1 1 345.378 0.315 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070088086 790562894 /nfs/dbraw/zinc/56/28/94/790562894.db2.gz SEICWDRNYOWKCK-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070088086 790562901 /nfs/dbraw/zinc/56/29/01/790562901.db2.gz SEICWDRNYOWKCK-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001043129875 777786363 /nfs/dbraw/zinc/78/63/63/777786363.db2.gz GYTKORPHSDBQLO-UHFFFAOYSA-N 1 1 346.431 0.627 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC3=CCOCC3)C2)C1=O ZINC001080393657 777786790 /nfs/dbraw/zinc/78/67/90/777786790.db2.gz YFXWDJVFNBXTAX-DJIMGWMZSA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043132495 777793199 /nfs/dbraw/zinc/79/31/99/777793199.db2.gz FLMLHINHGMVGHF-UHFFFAOYSA-N 1 1 334.420 0.483 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043133315 777796199 /nfs/dbraw/zinc/79/61/99/777796199.db2.gz ODSWRIYGYZCFOH-AWEZNQCLSA-N 1 1 334.420 0.483 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080414486 777817168 /nfs/dbraw/zinc/81/71/68/777817168.db2.gz MQJOVMUYDGETJC-JSGCOSHPSA-N 1 1 343.431 0.973 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001080464070 777899497 /nfs/dbraw/zinc/89/94/97/777899497.db2.gz FHLMFDPLRCJTOZ-KCPJHIHWSA-N 1 1 345.447 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001080464070 777899506 /nfs/dbraw/zinc/89/95/06/777899506.db2.gz FHLMFDPLRCJTOZ-KCPJHIHWSA-N 1 1 345.447 0.864 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001043187564 777912492 /nfs/dbraw/zinc/91/24/92/777912492.db2.gz JSFWHALQQXWGFO-HNNXBMFYSA-N 1 1 349.475 0.786 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070093086 790576982 /nfs/dbraw/zinc/57/69/82/790576982.db2.gz GFPHSWHPRPWQOU-OAHLLOKOSA-N 1 1 335.448 0.523 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043207053 777958739 /nfs/dbraw/zinc/95/87/39/777958739.db2.gz LBIWUQDJAHWKAW-UONOGXRCSA-N 1 1 337.464 0.476 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC001068564523 790581310 /nfs/dbraw/zinc/58/13/10/790581310.db2.gz UZCRTXUIONOFRK-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1ccncc1C#N ZINC001043244433 778039517 /nfs/dbraw/zinc/03/95/17/778039517.db2.gz FIKQJWZFSKRPTK-RHSMWYFYSA-N 1 1 343.431 0.356 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2C)cc1 ZINC001080575073 778072944 /nfs/dbraw/zinc/07/29/44/778072944.db2.gz CDEIDFRTBXRQKY-DVOMOZLQSA-N 1 1 329.400 0.623 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2C)cc1 ZINC001080575073 778072951 /nfs/dbraw/zinc/07/29/51/778072951.db2.gz CDEIDFRTBXRQKY-DVOMOZLQSA-N 1 1 329.400 0.623 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070098459 790599961 /nfs/dbraw/zinc/59/99/61/790599961.db2.gz AILRRLAKJACENK-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070098459 790599969 /nfs/dbraw/zinc/59/99/69/790599969.db2.gz AILRRLAKJACENK-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001070107352 790625457 /nfs/dbraw/zinc/62/54/57/790625457.db2.gz BIZLBDQJNATZBC-HNNXBMFYSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111713 790641729 /nfs/dbraw/zinc/64/17/29/790641729.db2.gz WJZRUMMMXPDIKC-UAGQMJEPSA-N 1 1 345.447 0.706 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001043660903 778681635 /nfs/dbraw/zinc/68/16/35/778681635.db2.gz PAJLAAKOVWEZSV-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043773673 778850362 /nfs/dbraw/zinc/85/03/62/778850362.db2.gz PYWMHRDIFKUKGD-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070140488 790729943 /nfs/dbraw/zinc/72/99/43/790729943.db2.gz PIPOPZVLMUTBOK-FRRDWIJNSA-N 1 1 325.800 0.551 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001042268926 779946363 /nfs/dbraw/zinc/94/63/63/779946363.db2.gz HLLCEFPVFMAMCG-YPMHNXCESA-N 1 1 339.823 0.715 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001042268926 779946371 /nfs/dbraw/zinc/94/63/71/779946371.db2.gz HLLCEFPVFMAMCG-YPMHNXCESA-N 1 1 339.823 0.715 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001042271867 779953941 /nfs/dbraw/zinc/95/39/41/779953941.db2.gz HAHNKFCYQJXWDV-GOEBONIOSA-N 1 1 328.416 0.823 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]21 ZINC001042288335 779996141 /nfs/dbraw/zinc/99/61/41/779996141.db2.gz SCICQFKKRJSLOC-CVEARBPZSA-N 1 1 330.432 0.969 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)C[C@@H]21 ZINC001042301796 780022504 /nfs/dbraw/zinc/02/25/04/780022504.db2.gz NVTJMMHBDLQPAI-CABCVRRESA-N 1 1 345.447 0.490 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC001042332428 780087787 /nfs/dbraw/zinc/08/77/87/780087787.db2.gz JSHLEKQHXDHJMR-KBPBESRZSA-N 1 1 346.431 0.263 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC001042332429 780087841 /nfs/dbraw/zinc/08/78/41/780087841.db2.gz JSHLEKQHXDHJMR-KGLIPLIRSA-N 1 1 346.431 0.263 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)C[C@H]21 ZINC001042367065 780153758 /nfs/dbraw/zinc/15/37/58/780153758.db2.gz ABWPXEPDHUVNIY-UKRRQHHQSA-N 1 1 346.435 0.089 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]21 ZINC001042375146 780164479 /nfs/dbraw/zinc/16/44/79/780164479.db2.gz SUSMPUVJBXIZIW-CZUORRHYSA-N 1 1 326.400 0.740 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042425827 780241946 /nfs/dbraw/zinc/24/19/46/780241946.db2.gz FJJHMQNJKVJPEF-YUELXQCFSA-N 1 1 328.420 0.773 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001070155132 790775129 /nfs/dbraw/zinc/77/51/29/790775129.db2.gz YIMAMYNGNPINCL-KGLIPLIRSA-N 1 1 349.826 0.348 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001070160902 790790286 /nfs/dbraw/zinc/79/02/86/790790286.db2.gz LNKDIUHPKUOHIY-NEPJUHHUSA-N 1 1 339.827 0.987 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001042715087 780682358 /nfs/dbraw/zinc/68/23/58/780682358.db2.gz MRERZJLRNLXQBY-IAGOWNOFSA-N 1 1 348.491 0.789 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001042836047 780915603 /nfs/dbraw/zinc/91/56/03/780915603.db2.gz OGNPIPPDJPKKFI-RRFJBIMHSA-N 1 1 329.404 0.225 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042977343 781127429 /nfs/dbraw/zinc/12/74/29/781127429.db2.gz IYSXMWCFIBCKTE-FRFSOERESA-N 1 1 343.431 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@H](C)OC)C1 ZINC001079464108 781147354 /nfs/dbraw/zinc/14/73/54/781147354.db2.gz TXAAXUKNSDWBEY-HOCLYGCPSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@H](C)OC)C1 ZINC001079464108 781147356 /nfs/dbraw/zinc/14/73/56/781147356.db2.gz TXAAXUKNSDWBEY-HOCLYGCPSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001079466246 781150999 /nfs/dbraw/zinc/15/09/99/781150999.db2.gz XFIYMYZNPZVGCI-YUELXQCFSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001079466246 781151001 /nfs/dbraw/zinc/15/10/01/781151001.db2.gz XFIYMYZNPZVGCI-YUELXQCFSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001079502578 781194889 /nfs/dbraw/zinc/19/48/89/781194889.db2.gz ZPXNABVPZBOWAD-DAXOMENPSA-N 1 1 346.431 0.749 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001079502578 781194893 /nfs/dbraw/zinc/19/48/93/781194893.db2.gz ZPXNABVPZBOWAD-DAXOMENPSA-N 1 1 346.431 0.749 20 30 ECEDMO C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079541822 781244180 /nfs/dbraw/zinc/24/41/80/781244180.db2.gz DXPDTMBKDPKHEQ-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079541822 781244186 /nfs/dbraw/zinc/24/41/86/781244186.db2.gz DXPDTMBKDPKHEQ-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC(N(CC)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001079564245 781268421 /nfs/dbraw/zinc/26/84/21/781268421.db2.gz YXRTWQYDBNDIHW-UHFFFAOYSA-N 1 1 331.420 0.901 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001079587394 781289020 /nfs/dbraw/zinc/28/90/20/781289020.db2.gz ZMQUMADSAZMGGV-WQVCFCJDSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001079587394 781289027 /nfs/dbraw/zinc/28/90/27/781289027.db2.gz ZMQUMADSAZMGGV-WQVCFCJDSA-N 1 1 343.431 0.622 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001079589270 781291286 /nfs/dbraw/zinc/29/12/86/781291286.db2.gz AHWGISXISWWOCJ-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001079589270 781291291 /nfs/dbraw/zinc/29/12/91/781291291.db2.gz AHWGISXISWWOCJ-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001041429692 781490061 /nfs/dbraw/zinc/49/00/61/781490061.db2.gz LCZIZAAQXLZHAH-BZUAXINKSA-N 1 1 343.431 0.412 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001077697805 781538107 /nfs/dbraw/zinc/53/81/07/781538107.db2.gz AQPXDHBZASFRIP-TVFCKZIOSA-N 1 1 346.427 0.431 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC001041450331 781541573 /nfs/dbraw/zinc/54/15/73/781541573.db2.gz CTXHIPSQCPATRO-GOSISDBHSA-N 1 1 331.416 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001077701933 781545152 /nfs/dbraw/zinc/54/51/52/781545152.db2.gz VIIBRBZYKGIRIO-WMLDXEAASA-N 1 1 343.427 0.623 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001077701933 781545155 /nfs/dbraw/zinc/54/51/55/781545155.db2.gz VIIBRBZYKGIRIO-WMLDXEAASA-N 1 1 343.427 0.623 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNc2ccc(C#N)nn2)C1 ZINC001041478408 781594749 /nfs/dbraw/zinc/59/47/49/781594749.db2.gz AKNULRWCHPJJGY-CABCVRRESA-N 1 1 344.419 0.472 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041483919 781607274 /nfs/dbraw/zinc/60/72/74/781607274.db2.gz VHQXBDGGFADAAJ-RVKKMQEKSA-N 1 1 335.448 0.910 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041483733 781607684 /nfs/dbraw/zinc/60/76/84/781607684.db2.gz SYAIDLLJOCFYFI-GJYPPUQNSA-N 1 1 347.459 0.747 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC001077737018 781621415 /nfs/dbraw/zinc/62/14/15/781621415.db2.gz UNWICSICOQRMOK-UKRRQHHQSA-N 1 1 330.388 0.479 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2-c2ccccc2)C1 ZINC001077757207 781652716 /nfs/dbraw/zinc/65/27/16/781652716.db2.gz ZFTDCPCHJYPNCB-GDBMZVCRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2-c2ccccc2)C1 ZINC001077757207 781652718 /nfs/dbraw/zinc/65/27/18/781652718.db2.gz ZFTDCPCHJYPNCB-GDBMZVCRSA-N 1 1 327.388 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNc2ncccn2)C1 ZINC001041538795 781726062 /nfs/dbraw/zinc/72/60/62/781726062.db2.gz PAUWONGBUSSGJS-HOTGVXAUSA-N 1 1 343.431 0.604 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNc2ncccn2)C1 ZINC001041538795 781726068 /nfs/dbraw/zinc/72/60/68/781726068.db2.gz PAUWONGBUSSGJS-HOTGVXAUSA-N 1 1 343.431 0.604 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001041542542 781737696 /nfs/dbraw/zinc/73/76/96/781737696.db2.gz DOIIQZYOZXAXHU-DOMZBBRYSA-N 1 1 326.828 0.687 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001041542542 781737700 /nfs/dbraw/zinc/73/77/00/781737700.db2.gz DOIIQZYOZXAXHU-DOMZBBRYSA-N 1 1 326.828 0.687 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](CC)OC)C[C@H]2O)nn1 ZINC001077812861 781742108 /nfs/dbraw/zinc/74/21/08/781742108.db2.gz RVHLYZJSGLUJOR-UMVBOHGHSA-N 1 1 337.424 0.054 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001077876646 781854235 /nfs/dbraw/zinc/85/42/35/781854235.db2.gz HGVBYSDHFOWWAN-BRWVUGGUSA-N 1 1 343.427 0.989 20 30 ECEDMO C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCS3(=O)=O)C2)CC1 ZINC001040722431 783331927 /nfs/dbraw/zinc/33/19/27/783331927.db2.gz WHFPZGIVXYWQEM-HNNXBMFYSA-N 1 1 338.473 0.901 20 30 ECEDMO CC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001037817828 783607461 /nfs/dbraw/zinc/60/74/61/783607461.db2.gz TUYQAWOPVNUBGY-STQMWFEESA-N 1 1 342.407 0.440 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070232867 783708863 /nfs/dbraw/zinc/70/88/63/783708863.db2.gz TXCSVNUPWVVUHX-UONOGXRCSA-N 1 1 336.436 0.269 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001070233126 783709646 /nfs/dbraw/zinc/70/96/46/783709646.db2.gz ZXCKOEMMOZAXON-KGLIPLIRSA-N 1 1 336.436 0.269 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCOCC1 ZINC001070233677 783710785 /nfs/dbraw/zinc/71/07/85/783710785.db2.gz BRQSGKVQSCUGDR-ZIAGYGMSSA-N 1 1 336.436 0.412 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(CNC(=O)C[N@@H+](C)C2CCC2)CCOCC1 ZINC001070234415 783713412 /nfs/dbraw/zinc/71/34/12/783713412.db2.gz VDOJQIZZAQYHKP-CYBMUJFWSA-N 1 1 336.436 0.412 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)C#CC(C)C)CCOCC1 ZINC001070250343 783739944 /nfs/dbraw/zinc/73/99/44/783739944.db2.gz MUYBVZZMBLDOGL-UHFFFAOYSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@@H](CC)C2)CC1 ZINC001037981123 783753571 /nfs/dbraw/zinc/75/35/71/783753571.db2.gz CCSKFMHKNLOZIV-GOEBONIOSA-N 1 1 334.464 0.034 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)[C@@H]3CCCO3)[nH]2)[C@H](C2CC2)C1 ZINC001070351070 783859490 /nfs/dbraw/zinc/85/94/90/783859490.db2.gz FVPCKYBNOOILKQ-ZNMIVQPWSA-N 1 1 343.431 0.659 20 30 ECEDMO C#CC[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)[C@@H]3CCCO3)n2)[C@H](C2CC2)C1 ZINC001070351070 783859496 /nfs/dbraw/zinc/85/94/96/783859496.db2.gz FVPCKYBNOOILKQ-ZNMIVQPWSA-N 1 1 343.431 0.659 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)[C@@H]3CCCO3)n2)[C@H](C2CC2)C1 ZINC001070351070 783859504 /nfs/dbraw/zinc/85/95/04/783859504.db2.gz FVPCKYBNOOILKQ-ZNMIVQPWSA-N 1 1 343.431 0.659 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(F)c(C#N)c2)C1 ZINC001038134180 783899511 /nfs/dbraw/zinc/89/95/11/783899511.db2.gz FCHIEAMTXZFUQZ-WBVHZDCISA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(F)c(C#N)c2)C1 ZINC001038134180 783899518 /nfs/dbraw/zinc/89/95/18/783899518.db2.gz FCHIEAMTXZFUQZ-WBVHZDCISA-N 1 1 346.406 0.718 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C[C@H]2CCc3ncnn32)c1 ZINC001038147274 783916855 /nfs/dbraw/zinc/91/68/55/783916855.db2.gz VRHFROBUFKIZSY-QWHCGFSZSA-N 1 1 325.376 0.469 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CCCO2)C1 ZINC001070383810 783923756 /nfs/dbraw/zinc/92/37/56/783923756.db2.gz NMALXMBPZGZZHX-HOTGVXAUSA-N 1 1 329.400 0.963 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CCCO2)C1 ZINC001070383810 783923759 /nfs/dbraw/zinc/92/37/59/783923759.db2.gz NMALXMBPZGZZHX-HOTGVXAUSA-N 1 1 329.400 0.963 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CCOC2)C1 ZINC001070384894 783926455 /nfs/dbraw/zinc/92/64/55/783926455.db2.gz QMRQYZQQLHYAGX-CVEARBPZSA-N 1 1 329.400 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CCOC2)C1 ZINC001070384894 783926461 /nfs/dbraw/zinc/92/64/61/783926461.db2.gz QMRQYZQQLHYAGX-CVEARBPZSA-N 1 1 329.400 0.821 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ccnnc2)C1 ZINC001070387607 783935776 /nfs/dbraw/zinc/93/57/76/783935776.db2.gz ZCDSEJBZKJJPLA-INIZCTEOSA-N 1 1 337.383 0.888 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ccnnc2)C1 ZINC001070387607 783935783 /nfs/dbraw/zinc/93/57/83/783935783.db2.gz ZCDSEJBZKJJPLA-INIZCTEOSA-N 1 1 337.383 0.888 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038177077 783953861 /nfs/dbraw/zinc/95/38/61/783953861.db2.gz HTSMQHXYTVLWCV-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038177077 783953865 /nfs/dbraw/zinc/95/38/65/783953865.db2.gz HTSMQHXYTVLWCV-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001070403251 783977798 /nfs/dbraw/zinc/97/77/98/783977798.db2.gz OLNSTTQWKLNFAC-GDBMZVCRSA-N 1 1 345.447 0.169 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001070403491 783979142 /nfs/dbraw/zinc/97/91/42/783979142.db2.gz UHHQQVSPIDXNEU-QWHCGFSZSA-N 1 1 331.420 0.527 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001070407387 783990890 /nfs/dbraw/zinc/99/08/90/783990890.db2.gz DZVQUBCDRSMVNB-DGCLKSJQSA-N 1 1 333.392 0.500 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001070409299 783996488 /nfs/dbraw/zinc/99/64/88/783996488.db2.gz AEBFYVOYIWEOQT-UMVBOHGHSA-N 1 1 345.447 0.916 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001070413033 784006541 /nfs/dbraw/zinc/00/65/41/784006541.db2.gz RDHIWGFHWDZASC-DZGCQCFKSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn3ncccc23)C1 ZINC001070412915 784006812 /nfs/dbraw/zinc/00/68/12/784006812.db2.gz OBWGYBMRBBRCNW-CYBMUJFWSA-N 1 1 349.398 0.805 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001070414954 784015525 /nfs/dbraw/zinc/01/55/25/784015525.db2.gz VQZLDBYRCMJMDL-KBPBESRZSA-N 1 1 343.431 0.365 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001070414850 784015989 /nfs/dbraw/zinc/01/59/89/784015989.db2.gz VPQKEQIUHJNVQC-GFCCVEGCSA-N 1 1 342.403 0.889 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001070414953 784016353 /nfs/dbraw/zinc/01/63/53/784016353.db2.gz VQECOKPMSBQRPF-NSHDSACASA-N 1 1 328.376 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cccc3ncnn32)C1 ZINC001070417323 784021079 /nfs/dbraw/zinc/02/10/79/784021079.db2.gz ZZGJOAMOJXGNPI-CYBMUJFWSA-N 1 1 349.398 0.805 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccnc(OC)n2)C1 ZINC001070417163 784021233 /nfs/dbraw/zinc/02/12/33/784021233.db2.gz VNOPGFHGZCTPHO-GFCCVEGCSA-N 1 1 340.387 0.561 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001070421535 784031434 /nfs/dbraw/zinc/03/14/34/784031434.db2.gz OPXHNIWYGFMRFX-UKRRQHHQSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnc(C)n2C)C1 ZINC001070422740 784035249 /nfs/dbraw/zinc/03/52/49/784035249.db2.gz HQHSLTFMUDXOEK-CYBMUJFWSA-N 1 1 326.404 0.804 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(CC)nn2)C1 ZINC001070431534 784053352 /nfs/dbraw/zinc/05/33/52/784053352.db2.gz XWHQFJICNAHYOU-ZDUSSCGKSA-N 1 1 341.419 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nn(CC)nc2C)C1 ZINC001070435370 784065281 /nfs/dbraw/zinc/06/52/81/784065281.db2.gz DURYFKORESSFOL-ZDUSSCGKSA-N 1 1 341.419 0.682 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001070905409 784086823 /nfs/dbraw/zinc/08/68/23/784086823.db2.gz YFPCWIXPPLLTFW-LSDHHAIUSA-N 1 1 334.420 0.890 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@]13C[C@H]1COC3)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445832 784098147 /nfs/dbraw/zinc/09/81/47/784098147.db2.gz LKYVOSPHFVBCMZ-IYOUNJFTSA-N 1 1 343.431 0.563 20 30 ECEDMO CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001070910535 784099183 /nfs/dbraw/zinc/09/91/83/784099183.db2.gz VQYPAQVVVUTJNZ-CFVMTHIKSA-N 1 1 343.387 0.626 20 30 ECEDMO CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001070910535 784099194 /nfs/dbraw/zinc/09/91/94/784099194.db2.gz VQYPAQVVVUTJNZ-CFVMTHIKSA-N 1 1 343.387 0.626 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1csnn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070448044 784104216 /nfs/dbraw/zinc/10/42/16/784104216.db2.gz UGZDMRGWKMPOFY-NSHDSACASA-N 1 1 345.432 0.692 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001070921865 784119830 /nfs/dbraw/zinc/11/98/30/784119830.db2.gz QVTNDHZGRSZZQK-SJORKVTESA-N 1 1 348.491 0.531 20 30 ECEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cn(C)cn2)no1 ZINC001070476338 784158285 /nfs/dbraw/zinc/15/82/85/784158285.db2.gz IDBRLCWYRALVQX-DIOULYMOSA-N 1 1 342.403 0.960 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC001070946913 784191728 /nfs/dbraw/zinc/19/17/28/784191728.db2.gz BBJHQQRVKITKTQ-LBPRGKRZSA-N 1 1 342.390 0.842 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CC2CC(F)(F)C2)CC1 ZINC001070946913 784191733 /nfs/dbraw/zinc/19/17/33/784191733.db2.gz BBJHQQRVKITKTQ-LBPRGKRZSA-N 1 1 342.390 0.842 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC001070947197 784193498 /nfs/dbraw/zinc/19/34/98/784193498.db2.gz MGYYZZUQFXNOMW-CABCVRRESA-N 1 1 336.436 0.223 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951288 784205257 /nfs/dbraw/zinc/20/52/57/784205257.db2.gz IGLIOLXSXKMCSQ-UHFFFAOYSA-N 1 1 329.404 0.727 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951288 784205266 /nfs/dbraw/zinc/20/52/66/784205266.db2.gz IGLIOLXSXKMCSQ-UHFFFAOYSA-N 1 1 329.404 0.727 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cc(C)n[nH]2)CC1 ZINC001070953051 784210217 /nfs/dbraw/zinc/21/02/17/784210217.db2.gz WLVQCQJDZRLOGF-UHFFFAOYSA-N 1 1 347.463 0.877 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001070958871 784229976 /nfs/dbraw/zinc/22/99/76/784229976.db2.gz XQMRBLQPQMMZBK-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO CC[C@@H](C[N@@H+]1CCNC(=O)CCN(C(=O)C#CC2CC2)CC1)OC ZINC001070962318 784240011 /nfs/dbraw/zinc/24/00/11/784240011.db2.gz OFAGYOKHGSWQTI-INIZCTEOSA-N 1 1 335.448 0.475 20 30 ECEDMO CC[C@@H](C[N@H+]1CCNC(=O)CCN(C(=O)C#CC2CC2)CC1)OC ZINC001070962318 784240020 /nfs/dbraw/zinc/24/00/20/784240020.db2.gz OFAGYOKHGSWQTI-INIZCTEOSA-N 1 1 335.448 0.475 20 30 ECEDMO N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001070963426 784243270 /nfs/dbraw/zinc/24/32/70/784243270.db2.gz QPGUOQYCZPEDKO-CVEARBPZSA-N 1 1 347.463 0.035 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccn(C)n2)CC1 ZINC001070967951 784258032 /nfs/dbraw/zinc/25/80/32/784258032.db2.gz FUZCWXVHYJQBLU-UHFFFAOYSA-N 1 1 345.447 0.027 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccn(C)n2)CC1 ZINC001070967951 784258043 /nfs/dbraw/zinc/25/80/43/784258043.db2.gz FUZCWXVHYJQBLU-UHFFFAOYSA-N 1 1 345.447 0.027 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070553065 784264728 /nfs/dbraw/zinc/26/47/28/784264728.db2.gz XRZNJPNTMHIHAR-WCQYABFASA-N 1 1 349.826 0.417 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CC(C)C)CC1 ZINC001070970722 784271241 /nfs/dbraw/zinc/27/12/41/784271241.db2.gz UHTHWWZHADSIIA-KRWDZBQOSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCCN(CC(=C)C)CC1 ZINC001070970614 784271316 /nfs/dbraw/zinc/27/13/16/784271316.db2.gz NWEANPJLZUUDJQ-KRWDZBQOSA-N 1 1 346.475 0.311 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCCN(CC(=C)C)CC1 ZINC001070970614 784271322 /nfs/dbraw/zinc/27/13/22/784271322.db2.gz NWEANPJLZUUDJQ-KRWDZBQOSA-N 1 1 346.475 0.311 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)n(C)n2)CC1 ZINC001070978915 784301270 /nfs/dbraw/zinc/30/12/70/784301270.db2.gz JOWONBKXXXLXFY-UHFFFAOYSA-N 1 1 349.435 0.269 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)n(C)n2)CC1 ZINC001070978915 784301279 /nfs/dbraw/zinc/30/12/79/784301279.db2.gz JOWONBKXXXLXFY-UHFFFAOYSA-N 1 1 349.435 0.269 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCn2ccnc2)CC1 ZINC001070983732 784319337 /nfs/dbraw/zinc/31/93/37/784319337.db2.gz CJGUNOZAVCZCGN-UHFFFAOYSA-N 1 1 333.436 0.500 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001070993075 784347245 /nfs/dbraw/zinc/34/72/45/784347245.db2.gz KSBQSMQBEZHSCF-CYBMUJFWSA-N 1 1 335.433 0.556 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070993013 784347358 /nfs/dbraw/zinc/34/73/58/784347358.db2.gz ICNJHNQTVWMIMY-OAHLLOKOSA-N 1 1 332.404 0.339 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070993036 784347828 /nfs/dbraw/zinc/34/78/28/784347828.db2.gz JCYZTRLZEFAXFL-RHSMWYFYSA-N 1 1 334.420 0.626 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[C@H](C)O2)CC1 ZINC001070995034 784352604 /nfs/dbraw/zinc/35/26/04/784352604.db2.gz OKPUKSHOGWWSFC-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[C@H](C)O2)CC1 ZINC001070995034 784352616 /nfs/dbraw/zinc/35/26/16/784352616.db2.gz OKPUKSHOGWWSFC-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001071008194 784395079 /nfs/dbraw/zinc/39/50/79/784395079.db2.gz MXIRBAYPNJHJHJ-IAGOWNOFSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCCOC2)CC1 ZINC001071011427 784405769 /nfs/dbraw/zinc/40/57/69/784405769.db2.gz FCYSQWXGBLYNBM-KRWDZBQOSA-N 1 1 349.475 0.867 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCCOC2)CC1 ZINC001071011427 784405771 /nfs/dbraw/zinc/40/57/71/784405771.db2.gz FCYSQWXGBLYNBM-KRWDZBQOSA-N 1 1 349.475 0.867 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(CC)nn2)CC1 ZINC001071011939 784407852 /nfs/dbraw/zinc/40/78/52/784407852.db2.gz YYUCMIJXURMVGJ-UHFFFAOYSA-N 1 1 348.451 0.528 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(CC)nn2)CC1 ZINC001071011939 784407859 /nfs/dbraw/zinc/40/78/59/784407859.db2.gz YYUCMIJXURMVGJ-UHFFFAOYSA-N 1 1 348.451 0.528 20 30 ECEDMO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[N@@H+](C)C3)n2)N(CC#N)C1 ZINC001070599047 784411441 /nfs/dbraw/zinc/41/14/41/784411441.db2.gz FEFIHMRXIQTAPD-ILXRZTDVSA-N 1 1 346.435 0.386 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)n2cccn2)CC1 ZINC001071014301 784415819 /nfs/dbraw/zinc/41/58/19/784415819.db2.gz HXJVWNSQHDDFNJ-INIZCTEOSA-N 1 1 345.447 0.508 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)n2cccn2)CC1 ZINC001071014301 784415827 /nfs/dbraw/zinc/41/58/27/784415827.db2.gz HXJVWNSQHDDFNJ-INIZCTEOSA-N 1 1 345.447 0.508 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnsn2)n1 ZINC001070601786 784419135 /nfs/dbraw/zinc/41/91/35/784419135.db2.gz VWJLWIUVYIJSSO-NWDGAFQWSA-N 1 1 346.416 0.709 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC(=O)NCC[N@@H+](CC)CC1 ZINC001071016352 784425863 /nfs/dbraw/zinc/42/58/63/784425863.db2.gz JJFFQMZOGLTUKX-UHFFFAOYSA-N 1 1 344.415 0.378 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC(=O)NCC[N@H+](CC)CC1 ZINC001071016352 784425871 /nfs/dbraw/zinc/42/58/71/784425871.db2.gz JJFFQMZOGLTUKX-UHFFFAOYSA-N 1 1 344.415 0.378 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cncn1C ZINC001070653350 784502037 /nfs/dbraw/zinc/50/20/37/784502037.db2.gz LRLDRRKRAPJAJI-CHWSQXEVSA-N 1 1 349.826 0.348 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001071109708 784546851 /nfs/dbraw/zinc/54/68/51/784546851.db2.gz VHUJUPNBVSBKGO-VKJFTORMSA-N 1 1 337.464 0.905 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cncn1)C[C@H](C)O2 ZINC001071136659 784582029 /nfs/dbraw/zinc/58/20/29/784582029.db2.gz NJGOGCURPDPBAB-RDJZCZTQSA-N 1 1 333.436 0.936 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nccnc1N)C[C@@H](C)O2 ZINC001071147392 784603119 /nfs/dbraw/zinc/60/31/19/784603119.db2.gz PXYSLTZSPMJSLL-CXAGYDPISA-N 1 1 329.404 0.388 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C)c1C)C[C@@H](C)O2 ZINC001071149471 784606523 /nfs/dbraw/zinc/60/65/23/784606523.db2.gz MURRQTFRSZNMML-DYVFJYSZSA-N 1 1 331.420 0.452 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)C[C@H](C)O2 ZINC001071156554 784620145 /nfs/dbraw/zinc/62/01/45/784620145.db2.gz JMJPEJOBAGKCMK-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)C[C@@H](C)O2 ZINC001071156899 784620195 /nfs/dbraw/zinc/62/01/95/784620195.db2.gz OENCEJUXSQQCRE-AEFFLSMTSA-N 1 1 335.448 0.034 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnnn1CC)C[C@H](C)O2 ZINC001071159304 784625493 /nfs/dbraw/zinc/62/54/93/784625493.db2.gz KEYZZWYKDLAEEI-YOEHRIQHSA-N 1 1 331.420 0.627 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)C[C@H](C)O2 ZINC001071160163 784628527 /nfs/dbraw/zinc/62/85/27/784628527.db2.gz YXQINFXLMJLPEM-RDJZCZTQSA-N 1 1 333.436 0.936 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@H](C)O2 ZINC001071166557 784641199 /nfs/dbraw/zinc/64/11/99/784641199.db2.gz JYYBBGQQUMFAJV-GUYCJALGSA-N 1 1 331.420 0.371 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@H](C)O2 ZINC001071176440 784666109 /nfs/dbraw/zinc/66/61/09/784666109.db2.gz VPNCKUAVRZDDPC-GUYCJALGSA-N 1 1 330.388 0.214 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@H](C)O2 ZINC001071176440 784666114 /nfs/dbraw/zinc/66/61/14/784666114.db2.gz VPNCKUAVRZDDPC-GUYCJALGSA-N 1 1 330.388 0.214 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@H](C)O2 ZINC001071177456 784669659 /nfs/dbraw/zinc/66/96/59/784669659.db2.gz AIIAGJVYKZWXHM-KSSFIOAISA-N 1 1 344.415 0.109 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn[nH]c(=O)c1)C[C@@H](C)O2 ZINC001071177779 784670022 /nfs/dbraw/zinc/67/00/22/784670022.db2.gz GFECYGANZCFQIT-DYVFJYSZSA-N 1 1 330.388 0.511 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3nc[nH]c3n1)C[C@H](C)O2 ZINC001071179847 784677678 /nfs/dbraw/zinc/67/76/78/784677678.db2.gz AQOYWUCHHKPPQW-UGSOOPFHSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3nc[nH]c3n1)C[C@H](C)O2 ZINC001071179847 784677687 /nfs/dbraw/zinc/67/76/87/784677687.db2.gz AQOYWUCHHKPPQW-UGSOOPFHSA-N 1 1 339.399 0.897 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)C[C@@H](C)O2 ZINC001071181707 784681601 /nfs/dbraw/zinc/68/16/01/784681601.db2.gz ZTDUIELKCZFGKS-KZULUSFZSA-N 1 1 346.431 0.878 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C[C@H](C)O2 ZINC001071182926 784682840 /nfs/dbraw/zinc/68/28/40/784682840.db2.gz GMCCYQAOQISEJH-SCLBCKFNSA-N 1 1 328.416 0.837 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C[C@H](C)O2 ZINC001071182926 784682844 /nfs/dbraw/zinc/68/28/44/784682844.db2.gz GMCCYQAOQISEJH-SCLBCKFNSA-N 1 1 328.416 0.837 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cc(C)nn1C)C[C@H](C)O2 ZINC001071189544 784695111 /nfs/dbraw/zinc/69/51/11/784695111.db2.gz MGEZFPSJZPUIPN-MAUKXSAKSA-N 1 1 330.432 0.596 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc3n[nH]nc31)C[C@@H](C)O2 ZINC001071190209 784696372 /nfs/dbraw/zinc/69/63/72/784696372.db2.gz VPYMGROBTFOLMV-SJKOYZFVSA-N 1 1 342.403 0.844 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@@H](C)O2 ZINC001071190341 784698288 /nfs/dbraw/zinc/69/82/88/784698288.db2.gz XSGTUBLRHPXRKC-SJKOYZFVSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@@H](C)O2 ZINC001071190341 784698292 /nfs/dbraw/zinc/69/82/92/784698292.db2.gz XSGTUBLRHPXRKC-SJKOYZFVSA-N 1 1 331.372 0.317 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)n1C)C[C@H](C)O2 ZINC001071198915 784718681 /nfs/dbraw/zinc/71/86/81/784718681.db2.gz HAGWQQXCFIOHCE-GUYCJALGSA-N 1 1 332.404 0.454 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@@H](C)O2 ZINC001071203583 784728190 /nfs/dbraw/zinc/72/81/90/784728190.db2.gz DWNLGNXFHQDEBG-RHSMWYFYSA-N 1 1 335.448 0.910 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@@H](C)O2 ZINC001071204384 784729733 /nfs/dbraw/zinc/72/97/33/784729733.db2.gz OFRUTUCUQIJGKH-QAPCUYQASA-N 1 1 346.431 0.514 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cn1)C[C@H](C)O2 ZINC001071203973 784729796 /nfs/dbraw/zinc/72/97/96/784729796.db2.gz KRTKGCRUCSHCJG-KXBFYZLASA-N 1 1 343.427 0.958 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001071206412 784736094 /nfs/dbraw/zinc/73/60/94/784736094.db2.gz JWHUJAKSNQGIEK-BEFAXECRSA-N 1 1 341.411 0.215 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001071206412 784736099 /nfs/dbraw/zinc/73/60/99/784736099.db2.gz JWHUJAKSNQGIEK-BEFAXECRSA-N 1 1 341.411 0.215 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@@H](C)O2 ZINC001071211996 784747166 /nfs/dbraw/zinc/74/71/66/784747166.db2.gz QREMJMBKRRUSDP-FZKQIMNGSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nnnc1C(C)C)C[C@@H](C)O2 ZINC001071218086 784760809 /nfs/dbraw/zinc/76/08/09/784760809.db2.gz IOWMULLCPSNDOV-RHSMWYFYSA-N 1 1 346.435 0.122 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)C[C@@H](C)O2 ZINC001071218316 784762639 /nfs/dbraw/zinc/76/26/39/784762639.db2.gz LRRGMGGLJBCEAP-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@@H](C)O2 ZINC001071219789 784766640 /nfs/dbraw/zinc/76/66/40/784766640.db2.gz YHQFQGMPBZSLQA-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CCC)nn1)C[C@@H](C)O2 ZINC001071225203 784780518 /nfs/dbraw/zinc/78/05/18/784780518.db2.gz HFLHKRJLDUSHRB-PBHICJAKSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CCC)nn1)C[C@@H](C)O2 ZINC001071225203 784780526 /nfs/dbraw/zinc/78/05/26/784780526.db2.gz HFLHKRJLDUSHRB-PBHICJAKSA-N 1 1 331.420 0.627 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@H](C)O2 ZINC001071225594 784783146 /nfs/dbraw/zinc/78/31/46/784783146.db2.gz MRLHPJRBIXPSTG-YVEFUNNKSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nc(C)ccc1=O)C[C@@H](C)O2 ZINC001071229797 784790945 /nfs/dbraw/zinc/79/09/45/784790945.db2.gz ACDLZTSBROOLHA-CRAIPNDOSA-N 1 1 346.431 0.430 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@@H](C)O2 ZINC001071240277 784812280 /nfs/dbraw/zinc/81/22/80/784812280.db2.gz CEAJXDYPLITXQM-PXAZEXFGSA-N 1 1 330.388 0.052 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)C[C@H](C)O2 ZINC001071240615 784813074 /nfs/dbraw/zinc/81/30/74/784813074.db2.gz IQCXUYWUEWZICQ-SCLBCKFNSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)C[C@H](C)O2 ZINC001071240615 784813079 /nfs/dbraw/zinc/81/30/79/784813079.db2.gz IQCXUYWUEWZICQ-SCLBCKFNSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c(C)n[nH]c1C)C[C@H](C)O2 ZINC001071241099 784815531 /nfs/dbraw/zinc/81/55/31/784815531.db2.gz OVNHCFNFGBBTAP-SCLBCKFNSA-N 1 1 330.432 0.894 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c(C)n[nH]c1C)C[C@@H](C)O2 ZINC001071241097 784815585 /nfs/dbraw/zinc/81/55/85/784815585.db2.gz OVNHCFNFGBBTAP-ACJLOTCBSA-N 1 1 330.432 0.894 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(C(N)=O)n1)C[C@@H](C)O2 ZINC001071246048 784826696 /nfs/dbraw/zinc/82/66/96/784826696.db2.gz NVMDLYOMUNTJSS-ACJLOTCBSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(C(N)=O)n1)C[C@@H](C)O2 ZINC001071246048 784826705 /nfs/dbraw/zinc/82/67/05/784826705.db2.gz NVMDLYOMUNTJSS-ACJLOTCBSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@H](C)O2 ZINC001071246632 784828288 /nfs/dbraw/zinc/82/82/88/784828288.db2.gz YRZBZCMQQASBGY-GUYCJALGSA-N 1 1 331.420 0.545 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@H](C)O2 ZINC001071246632 784828293 /nfs/dbraw/zinc/82/82/93/784828293.db2.gz YRZBZCMQQASBGY-GUYCJALGSA-N 1 1 331.420 0.545 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@H](C)O2 ZINC001071248893 784833238 /nfs/dbraw/zinc/83/32/38/784833238.db2.gz VGDAIOSQQNUHRB-YOEHRIQHSA-N 1 1 333.436 0.626 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071437902 785087308 /nfs/dbraw/zinc/08/73/08/785087308.db2.gz KVLUNVRXUNOJJZ-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CC(=O)N1CCC1 ZINC001071437902 785087313 /nfs/dbraw/zinc/08/73/13/785087313.db2.gz KVLUNVRXUNOJJZ-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC[C@@H]1C ZINC001071509001 785216477 /nfs/dbraw/zinc/21/64/77/785216477.db2.gz WFVHVPFKZXERFL-UONOGXRCSA-N 1 1 333.432 0.764 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071512285 785226441 /nfs/dbraw/zinc/22/64/41/785226441.db2.gz WTGBNTLWCAXJLL-RDJZCZTQSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CC#Cc1ccccc1 ZINC001071512285 785226447 /nfs/dbraw/zinc/22/64/47/785226447.db2.gz WTGBNTLWCAXJLL-RDJZCZTQSA-N 1 1 338.415 0.694 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1C ZINC001071860943 785233557 /nfs/dbraw/zinc/23/35/57/785233557.db2.gz MWECEYRIQQLXQF-KBPBESRZSA-N 1 1 344.419 0.436 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001068763877 791095894 /nfs/dbraw/zinc/09/58/94/791095894.db2.gz DSGCPSBJMOJPME-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001071928291 785350671 /nfs/dbraw/zinc/35/06/71/785350671.db2.gz AOXNEXSJZRFJQV-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC[C@@H]1C ZINC001071631615 785420628 /nfs/dbraw/zinc/42/06/28/785420628.db2.gz PEMBSBNZRLLHEK-KBPBESRZSA-N 1 1 342.403 0.926 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1C ZINC001071967074 785434555 /nfs/dbraw/zinc/43/45/55/785434555.db2.gz JRFQJZPTBYRQSA-STQMWFEESA-N 1 1 336.436 0.862 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071658823 785465467 /nfs/dbraw/zinc/46/54/67/785465467.db2.gz PXRMJSAMUJZMED-AAEUAGOBSA-N 1 1 335.433 0.411 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C ZINC001072055470 785586879 /nfs/dbraw/zinc/58/68/79/785586879.db2.gz UZUYJHVDCZKNLV-ZIAGYGMSSA-N 1 1 336.436 0.816 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@@H]1C ZINC001071725089 785594246 /nfs/dbraw/zinc/59/42/46/785594246.db2.gz QCWJNMRWVZCYLB-WCQYABFASA-N 1 1 344.423 0.853 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1C ZINC001072071593 785619390 /nfs/dbraw/zinc/61/93/90/785619390.db2.gz ZNWBJWRJHJKTNQ-HUUCEWRRSA-N 1 1 343.493 0.262 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1C ZINC001072071593 785619397 /nfs/dbraw/zinc/61/93/97/785619397.db2.gz ZNWBJWRJHJKTNQ-HUUCEWRRSA-N 1 1 343.493 0.262 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N(Cc2cn(C)c(=O)n(C)c2=O)C(C)=O)C1 ZINC001072134169 785723200 /nfs/dbraw/zinc/72/32/00/785723200.db2.gz GHUDPCONENKTRB-HNNXBMFYSA-N 1 1 334.420 0.083 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N(Cc2cn(C)c(=O)n(C)c2=O)C(=O)C2CC2)C1 ZINC001072134707 785724028 /nfs/dbraw/zinc/72/40/28/785724028.db2.gz YACBDZHBCOLYJD-HNNXBMFYSA-N 1 1 346.431 0.083 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001072357978 786074859 /nfs/dbraw/zinc/07/48/59/786074859.db2.gz IUCZKMFHJQSKQT-GJZGRUSLSA-N 1 1 337.464 0.720 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072401246 786138506 /nfs/dbraw/zinc/13/85/06/786138506.db2.gz KPBFWPZIAGYJGY-DGCLKSJQSA-N 1 1 335.433 0.411 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)C4=COCCO4)C3)C2)C1=O ZINC001072437591 786184680 /nfs/dbraw/zinc/18/46/80/786184680.db2.gz MQBZJRPUCYOAPW-CQSZACIVSA-N 1 1 347.415 0.196 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CCCO4)C3)C2)C1=O ZINC001072445693 786196223 /nfs/dbraw/zinc/19/62/23/786196223.db2.gz PIAZZOGDAOYQLK-GJZGRUSLSA-N 1 1 333.432 0.487 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)Cn4cnnn4)C3)C2)s1 ZINC001072451929 786204351 /nfs/dbraw/zinc/20/43/51/786204351.db2.gz VJYGSIKZMUUKEA-UHFFFAOYSA-N 1 1 343.416 0.341 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCN(C3CCC3)C1=O)C2 ZINC001072552665 786357600 /nfs/dbraw/zinc/35/76/00/786357600.db2.gz RGMIGZNOYOIGBP-HIFRSBDPSA-N 1 1 330.432 0.834 20 30 ECEDMO C=CCCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001073552646 786568441 /nfs/dbraw/zinc/56/84/41/786568441.db2.gz FACYDCLQJKMADP-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001073554256 786577185 /nfs/dbraw/zinc/57/71/85/786577185.db2.gz SVCUBZYMMZGGRY-MRXNPFEDSA-N 1 1 334.464 0.402 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073576203 786657558 /nfs/dbraw/zinc/65/75/58/786657558.db2.gz ZNNXNLPQRBEZDW-WFASDCNBSA-N 1 1 347.419 0.184 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073576203 786657564 /nfs/dbraw/zinc/65/75/64/786657564.db2.gz ZNNXNLPQRBEZDW-WFASDCNBSA-N 1 1 347.419 0.184 20 30 ECEDMO C=C(C)CCC(=O)N1CCN(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001073576744 786659204 /nfs/dbraw/zinc/65/92/04/786659204.db2.gz XPJRZGPFLXQTTN-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001073603440 786753959 /nfs/dbraw/zinc/75/39/59/786753959.db2.gz GYAYMBGAUPAWEW-GOEBONIOSA-N 1 1 348.447 0.853 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001073603440 786753966 /nfs/dbraw/zinc/75/39/66/786753966.db2.gz GYAYMBGAUPAWEW-GOEBONIOSA-N 1 1 348.447 0.853 20 30 ECEDMO CC#CCN1CCO[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001074362928 786760000 /nfs/dbraw/zinc/76/00/00/786760000.db2.gz LXEIHJTZKHIHOK-IRXDYDNUSA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)c3cc[nH]c3)C2)C1=O ZINC001073618201 786781333 /nfs/dbraw/zinc/78/13/33/786781333.db2.gz XEDOSHKDELHTFR-CVEARBPZSA-N 1 1 346.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)c3cc[nH]c3)C2)C1=O ZINC001073618201 786781336 /nfs/dbraw/zinc/78/13/36/786781336.db2.gz XEDOSHKDELHTFR-CVEARBPZSA-N 1 1 346.431 0.622 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625215 786797650 /nfs/dbraw/zinc/79/76/50/786797650.db2.gz CLTZIWRVXYAEIX-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001073626235 786800869 /nfs/dbraw/zinc/80/08/69/786800869.db2.gz MGCTVWKHKVLYRV-DOTOQJQBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001073626235 786800878 /nfs/dbraw/zinc/80/08/78/786800878.db2.gz MGCTVWKHKVLYRV-DOTOQJQBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001073633859 786827927 /nfs/dbraw/zinc/82/79/27/786827927.db2.gz IIECBKKBRXXPBU-ROUUACIJSA-N 1 1 349.475 0.470 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001073634393 786831264 /nfs/dbraw/zinc/83/12/64/786831264.db2.gz QTVPKAOTZXVONW-GDBMZVCRSA-N 1 1 330.432 0.975 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001073637132 786837054 /nfs/dbraw/zinc/83/70/54/786837054.db2.gz RCOMUFMNKXROAB-KGLIPLIRSA-N 1 1 334.420 0.369 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001073637132 786837061 /nfs/dbraw/zinc/83/70/61/786837061.db2.gz RCOMUFMNKXROAB-KGLIPLIRSA-N 1 1 334.420 0.369 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001073639111 786842043 /nfs/dbraw/zinc/84/20/43/786842043.db2.gz BHXQKOYYGZVPQV-CYBMUJFWSA-N 1 1 330.392 0.750 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001073661015 786903611 /nfs/dbraw/zinc/90/36/11/786903611.db2.gz UMOHURVCILPJHY-OAHLLOKOSA-N 1 1 341.415 0.812 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001073664862 786913532 /nfs/dbraw/zinc/91/35/32/786913532.db2.gz QRCBUFHZTGTJPD-DOTOQJQBSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001073665312 786915102 /nfs/dbraw/zinc/91/51/02/786915102.db2.gz WSOMWSQKAJCADL-JKSUJKDBSA-N 1 1 330.432 0.676 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2COC)C1 ZINC001073667227 786916070 /nfs/dbraw/zinc/91/60/70/786916070.db2.gz AADCYWCBCDKSGR-CQSZACIVSA-N 1 1 334.420 0.411 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCn3nccc32)C1 ZINC001073667858 786919566 /nfs/dbraw/zinc/91/95/66/786919566.db2.gz PYUIVIXHXOYLAZ-CVEARBPZSA-N 1 1 330.432 0.991 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001073670513 786925348 /nfs/dbraw/zinc/92/53/48/786925348.db2.gz IFRRHSYQEQEUMG-RDJZCZTQSA-N 1 1 330.432 0.676 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001073670857 786927171 /nfs/dbraw/zinc/92/71/71/786927171.db2.gz QCPIYYSOQGSNMQ-RDJZCZTQSA-N 1 1 330.432 0.676 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001073684354 786966821 /nfs/dbraw/zinc/96/68/21/786966821.db2.gz OOXZYRJAHSNPGR-LSDHHAIUSA-N 1 1 344.477 0.594 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001073687460 786971766 /nfs/dbraw/zinc/97/17/66/786971766.db2.gz RSOUXEWZFGVWMS-MRXNPFEDSA-N 1 1 345.399 0.005 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001073687460 786971769 /nfs/dbraw/zinc/97/17/69/786971769.db2.gz RSOUXEWZFGVWMS-MRXNPFEDSA-N 1 1 345.399 0.005 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001073696073 786987365 /nfs/dbraw/zinc/98/73/65/786987365.db2.gz BZDGDPMZSCYRGP-LBPRGKRZSA-N 1 1 329.356 0.987 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001073696073 786987374 /nfs/dbraw/zinc/98/73/74/786987374.db2.gz BZDGDPMZSCYRGP-LBPRGKRZSA-N 1 1 329.356 0.987 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001073703368 787007121 /nfs/dbraw/zinc/00/71/21/787007121.db2.gz MSSPWXNUVARYRF-GJZGRUSLSA-N 1 1 347.419 0.149 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001073713192 787029425 /nfs/dbraw/zinc/02/94/25/787029425.db2.gz VQBPGCIUQMNXEP-KGLIPLIRSA-N 1 1 332.404 0.368 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001073713192 787029435 /nfs/dbraw/zinc/02/94/35/787029435.db2.gz VQBPGCIUQMNXEP-KGLIPLIRSA-N 1 1 332.404 0.368 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)c3cnco3)C2)C1=O ZINC001073716329 787040566 /nfs/dbraw/zinc/04/05/66/787040566.db2.gz AAHSNZHWWUEPDN-ZIAGYGMSSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)c3cnco3)C2)C1=O ZINC001073716329 787040576 /nfs/dbraw/zinc/04/05/76/787040576.db2.gz AAHSNZHWWUEPDN-ZIAGYGMSSA-N 1 1 348.403 0.282 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001073717085 787042993 /nfs/dbraw/zinc/04/29/93/787042993.db2.gz VTKNONRMXVCQKP-GOEBONIOSA-N 1 1 341.411 0.953 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001073717085 787042998 /nfs/dbraw/zinc/04/29/98/787042998.db2.gz VTKNONRMXVCQKP-GOEBONIOSA-N 1 1 341.411 0.953 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001073739420 787090315 /nfs/dbraw/zinc/09/03/15/787090315.db2.gz SJCVTAFQMLELES-CVEARBPZSA-N 1 1 335.448 0.616 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001073745758 787110561 /nfs/dbraw/zinc/11/05/61/787110561.db2.gz HLKRYVKCRHGTKQ-GFCCVEGCSA-N 1 1 343.387 0.508 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+](C[C@@H](C)OC)CCCO2)c1 ZINC001073763232 787152271 /nfs/dbraw/zinc/15/22/71/787152271.db2.gz YVYXFMBNNNLTKN-PBHICJAKSA-N 1 1 331.416 0.919 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001073766321 787161246 /nfs/dbraw/zinc/16/12/46/787161246.db2.gz BPUGDOQQQHAPFI-ZDUSSCGKSA-N 1 1 329.404 0.975 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001073781630 787191784 /nfs/dbraw/zinc/19/17/84/787191784.db2.gz IUZOEKGWUAKNSU-CQSZACIVSA-N 1 1 346.431 0.195 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc(N(C)C)c2)C1 ZINC001073798450 787224242 /nfs/dbraw/zinc/22/42/42/787224242.db2.gz GTBTZBGWFDKLGA-MRXNPFEDSA-N 1 1 330.432 0.992 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001073824712 787277597 /nfs/dbraw/zinc/27/75/97/787277597.db2.gz VQLPRWNDGLFRGI-ZDUSSCGKSA-N 1 1 330.392 0.521 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001073844414 787337022 /nfs/dbraw/zinc/33/70/22/787337022.db2.gz QTFCFFBTTLMWSQ-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001073844414 787337033 /nfs/dbraw/zinc/33/70/33/787337033.db2.gz QTFCFFBTTLMWSQ-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2nccn3cc(C)nc23)C1 ZINC001073848617 787350984 /nfs/dbraw/zinc/35/09/84/787350984.db2.gz XGXCATLGCMFAQP-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001073854166 787368863 /nfs/dbraw/zinc/36/88/63/787368863.db2.gz YEZGPMWBSNJRMV-LSDHHAIUSA-N 1 1 336.436 0.150 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001073856360 787372138 /nfs/dbraw/zinc/37/21/38/787372138.db2.gz DLOWOFDMKRCAFT-CYBMUJFWSA-N 1 1 343.387 0.279 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)CCCO2)nc1 ZINC001073865403 787399307 /nfs/dbraw/zinc/39/93/07/787399307.db2.gz IALSICQVBOTNRQ-ZBFHGGJFSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)CCCO2)nc1 ZINC001073865403 787399314 /nfs/dbraw/zinc/39/93/14/787399314.db2.gz IALSICQVBOTNRQ-ZBFHGGJFSA-N 1 1 344.415 0.148 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@H](C)CC)CC1 ZINC001074628123 787444948 /nfs/dbraw/zinc/44/49/48/787444948.db2.gz YSBVSSGHQQWFGW-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@H](C)CC)CC1 ZINC001074628123 787444954 /nfs/dbraw/zinc/44/49/54/787444954.db2.gz YSBVSSGHQQWFGW-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001073898714 787472959 /nfs/dbraw/zinc/47/29/59/787472959.db2.gz AGMZEHHEFQMWPG-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001073898714 787472962 /nfs/dbraw/zinc/47/29/62/787472962.db2.gz AGMZEHHEFQMWPG-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001073905418 787490250 /nfs/dbraw/zinc/49/02/50/787490250.db2.gz DZHCBLRJMMEZFJ-AWEZNQCLSA-N 1 1 332.404 0.577 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001073915307 787521301 /nfs/dbraw/zinc/52/13/01/787521301.db2.gz XSPFMOCBQSGWKB-HNNXBMFYSA-N 1 1 346.431 0.967 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)C[C@@H]1C ZINC001074013274 787676044 /nfs/dbraw/zinc/67/60/44/787676044.db2.gz DJUCOERTOUZKRL-UONOGXRCSA-N 1 1 340.493 0.937 20 30 ECEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001074056181 787779194 /nfs/dbraw/zinc/77/91/94/787779194.db2.gz DIYIDIKLHQWVOB-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001074062440 787793694 /nfs/dbraw/zinc/79/36/94/787793694.db2.gz GGIZNKXXNXOCMI-DZGCQCFKSA-N 1 1 334.420 0.747 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)CSCC#N)C[C@@H]1C ZINC001074844111 788421081 /nfs/dbraw/zinc/42/10/81/788421081.db2.gz WKEKUSFRIZUGBQ-GXTWGEPZSA-N 1 1 349.460 0.944 20 30 ECEDMO CCn1nncc1C[N@@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072634542 788475724 /nfs/dbraw/zinc/47/57/24/788475724.db2.gz BIXOLJKRGWFLSO-UHFFFAOYSA-N 1 1 339.403 0.846 20 30 ECEDMO CCn1nncc1C[N@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072634542 788475726 /nfs/dbraw/zinc/47/57/26/788475726.db2.gz BIXOLJKRGWFLSO-UHFFFAOYSA-N 1 1 339.403 0.846 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072645093 788494663 /nfs/dbraw/zinc/49/46/63/788494663.db2.gz ZNUWFWUGNDPITA-GFCCVEGCSA-N 1 1 341.415 0.701 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001074891723 788498339 /nfs/dbraw/zinc/49/83/39/788498339.db2.gz KMYBHEDAJJGTMN-UKRRQHHQSA-N 1 1 334.420 0.890 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](C)C2)c1 ZINC001072707511 788626700 /nfs/dbraw/zinc/62/67/00/788626700.db2.gz XJZRTGOVCAYTKU-YOEHRIQHSA-N 1 1 342.443 0.981 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072737300 788673644 /nfs/dbraw/zinc/67/36/44/788673644.db2.gz RAOZKITXKGGAAS-QWHCGFSZSA-N 1 1 326.466 0.548 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)[C@@H](C)C1 ZINC001074999176 788696825 /nfs/dbraw/zinc/69/68/25/788696825.db2.gz HMURIBPMEXAXQM-GXTWGEPZSA-N 1 1 349.460 0.944 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cnnn1C)C2 ZINC001072748188 788707721 /nfs/dbraw/zinc/70/77/21/788707721.db2.gz WIVNSYOKHJTNQN-CVEARBPZSA-N 1 1 345.447 0.831 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cnnn1C)C2 ZINC001072748188 788707723 /nfs/dbraw/zinc/70/77/23/788707723.db2.gz WIVNSYOKHJTNQN-CVEARBPZSA-N 1 1 345.447 0.831 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)Cn4nccn4)C3)C2)c1 ZINC001072782911 788787987 /nfs/dbraw/zinc/78/79/87/788787987.db2.gz JFCMWBWIKPIVLJ-UHFFFAOYSA-N 1 1 336.399 0.884 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001072797096 788816289 /nfs/dbraw/zinc/81/62/89/788816289.db2.gz LPQUNTLTAPHBEL-HNNXBMFYSA-N 1 1 333.432 0.039 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CN3CCCS3(=O)=O)C2)C1 ZINC001072799960 788826272 /nfs/dbraw/zinc/82/62/72/788826272.db2.gz VIRCGFGOLMVVRN-UHFFFAOYSA-N 1 1 341.477 0.522 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C2)C1 ZINC001072813568 788868240 /nfs/dbraw/zinc/86/82/40/788868240.db2.gz WYQDHEXHDPHGBR-MRXNPFEDSA-N 1 1 329.448 0.371 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)C1 ZINC001072854558 788968333 /nfs/dbraw/zinc/96/83/33/788968333.db2.gz QPXRIXJPRDKTGQ-OLZOCXBDSA-N 1 1 346.349 0.890 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)CSCC#N)CC2)C1 ZINC001072889303 789037537 /nfs/dbraw/zinc/03/75/37/789037537.db2.gz WFKHLWLFBAJAGE-ZDUSSCGKSA-N 1 1 338.477 0.692 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3sccc3-n3cnnn3)C2)C1 ZINC001072894845 789054791 /nfs/dbraw/zinc/05/47/91/789054791.db2.gz LKMYNPFXSIPISV-UHFFFAOYSA-N 1 1 328.401 0.505 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CC[C@@H](C)O4)C3)C2)C1=O ZINC001073003614 789262478 /nfs/dbraw/zinc/26/24/78/789262478.db2.gz CWKJEGZTQWPLOT-OWCLPIDISA-N 1 1 347.459 0.875 20 30 ECEDMO C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001075394933 789321384 /nfs/dbraw/zinc/32/13/84/789321384.db2.gz JAUQKAVNEWXFSF-GOEBONIOSA-N 1 1 346.431 0.748 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001073046062 789339725 /nfs/dbraw/zinc/33/97/25/789339725.db2.gz LVHSMHILVWPMLB-JYJNAYRXSA-N 1 1 347.459 0.781 20 30 ECEDMO C#CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001075413412 789339988 /nfs/dbraw/zinc/33/99/88/789339988.db2.gz NGGKLADVHHPQCI-HOCLYGCPSA-N 1 1 346.431 0.748 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001073053607 789352567 /nfs/dbraw/zinc/35/25/67/789352567.db2.gz ORDNPSDXKCFDEK-CQSZACIVSA-N 1 1 341.477 0.521 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC001075444509 789374744 /nfs/dbraw/zinc/37/47/44/789374744.db2.gz CMOFNUKAPCCAND-OAHLLOKOSA-N 1 1 330.436 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4ncccn4)C3)C2)C1=O ZINC001073069181 789385833 /nfs/dbraw/zinc/38/58/33/789385833.db2.gz RQVJCIJKLAIVBE-AWEZNQCLSA-N 1 1 341.415 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)C1 ZINC001073089534 789425096 /nfs/dbraw/zinc/42/50/96/789425096.db2.gz SAEGAQVAKAPDNE-AWEZNQCLSA-N 1 1 329.404 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cn(C4CCOCC4)nn3)C2)C1 ZINC001073108749 789453738 /nfs/dbraw/zinc/45/37/38/789453738.db2.gz JCWYODLYBSQNLM-UHFFFAOYSA-N 1 1 329.404 0.411 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N2CCC2)C3)nc1 ZINC001073134838 789505305 /nfs/dbraw/zinc/50/53/05/789505305.db2.gz UGICYBXRSMIXGH-UHFFFAOYSA-N 1 1 338.411 0.443 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(=O)N(C)C)C3)cn1 ZINC001073135984 789507864 /nfs/dbraw/zinc/50/78/64/789507864.db2.gz UOCDKOLHIZOQEZ-CQSZACIVSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001073150404 789531380 /nfs/dbraw/zinc/53/13/80/789531380.db2.gz VAOBFDVEGBSCMG-OAHLLOKOSA-N 1 1 341.477 0.569 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C)n[nH]4)[C@@H]3C2)C1=O ZINC001075587423 789536607 /nfs/dbraw/zinc/53/66/07/789536607.db2.gz BPWNUHYFZQPXAT-NUEKZKHPSA-N 1 1 343.431 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C)[nH]n4)[C@@H]3C2)C1=O ZINC001075587423 789536613 /nfs/dbraw/zinc/53/66/13/789536613.db2.gz BPWNUHYFZQPXAT-NUEKZKHPSA-N 1 1 343.431 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C)[nH]n4)[C@@H]3C2)C1=O ZINC001075587423 789536617 /nfs/dbraw/zinc/53/66/17/789536617.db2.gz BPWNUHYFZQPXAT-NUEKZKHPSA-N 1 1 343.431 0.651 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC001075658662 789623785 /nfs/dbraw/zinc/62/37/85/789623785.db2.gz NDKNGGKACOMZFX-NUEKZKHPSA-N 1 1 341.415 0.653 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2N(c2cncc(C#N)n2)CC3)C1 ZINC001069265561 789716832 /nfs/dbraw/zinc/71/68/32/789716832.db2.gz CIOXWKNLRJRZHA-YEWWUXTCSA-N 1 1 340.431 0.918 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001073412197 789803684 /nfs/dbraw/zinc/80/36/84/789803684.db2.gz FUADSXSBWCRRQD-ZDUSSCGKSA-N 1 1 334.420 0.475 20 30 ECEDMO Cc1cc(C#N)nc(NC2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001069719263 789986755 /nfs/dbraw/zinc/98/67/55/789986755.db2.gz IQSKDSBYDCZMNL-PESDSKBTSA-N 1 1 344.419 0.389 20 30 ECEDMO Cc1cc(C#N)nc(NC2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001069719263 789986757 /nfs/dbraw/zinc/98/67/57/789986757.db2.gz IQSKDSBYDCZMNL-PESDSKBTSA-N 1 1 344.419 0.389 20 30 ECEDMO Cc1cc(NC2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001069719954 789987615 /nfs/dbraw/zinc/98/76/15/789987615.db2.gz YSVATLSABMORBG-VMBOVVBDSA-N 1 1 343.431 0.416 20 30 ECEDMO Cc1cc(NC2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001069719954 789987619 /nfs/dbraw/zinc/98/76/19/789987619.db2.gz YSVATLSABMORBG-VMBOVVBDSA-N 1 1 343.431 0.416 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001069732132 789993642 /nfs/dbraw/zinc/99/36/42/789993642.db2.gz FYRACDARDVGLQA-LPHOPBHVSA-N 1 1 349.475 0.982 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 ZINC001069814714 790048565 /nfs/dbraw/zinc/04/85/65/790048565.db2.gz AYEOCWFBIQPTQD-OAHLLOKOSA-N 1 1 326.404 0.695 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(c2nccnc2C#N)CC1 ZINC001069830841 790064770 /nfs/dbraw/zinc/06/47/70/790064770.db2.gz HUCRBSIAHHHGLQ-ZFWWWQNUSA-N 1 1 340.431 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2cc(F)ncn2)CC1 ZINC001069834510 790066266 /nfs/dbraw/zinc/06/62/66/790066266.db2.gz XQHSHMIRTJWCQE-HNNXBMFYSA-N 1 1 343.406 0.966 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2cc(F)ncn2)CC1 ZINC001069834510 790066270 /nfs/dbraw/zinc/06/62/70/790066270.db2.gz XQHSHMIRTJWCQE-HNNXBMFYSA-N 1 1 343.406 0.966 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnnn2CC)[C@@H](n2ccnn2)C1 ZINC001069921523 790192359 /nfs/dbraw/zinc/19/23/59/790192359.db2.gz LMDXGFCVZXQWCE-HIFRSBDPSA-N 1 1 344.423 0.511 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001069925158 790195764 /nfs/dbraw/zinc/19/57/64/790195764.db2.gz YUBBFCBBVZWKST-ILXRZTDVSA-N 1 1 331.424 0.016 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2ccncc2C)[C@@H](n2ccnn2)C1 ZINC001069925995 790197471 /nfs/dbraw/zinc/19/74/71/790197471.db2.gz INNPREXTDZBUEV-CVEARBPZSA-N 1 1 326.404 0.752 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2ccncc2C)[C@@H](n2ccnn2)C1 ZINC001069925995 790197472 /nfs/dbraw/zinc/19/74/72/790197472.db2.gz INNPREXTDZBUEV-CVEARBPZSA-N 1 1 326.404 0.752 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)[C@@H](n2ccnn2)C1 ZINC001069932231 790205231 /nfs/dbraw/zinc/20/52/31/790205231.db2.gz VWCMJLMMMNVFSV-IVSAIRAKSA-N 1 1 331.420 0.622 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069941826 790217867 /nfs/dbraw/zinc/21/78/67/790217867.db2.gz ALQQUBFVZFRNDT-ZACQAIPSSA-N 1 1 344.463 0.517 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945663 790224050 /nfs/dbraw/zinc/22/40/50/790224050.db2.gz SSFPYUKPVWIJSI-BBWFWOEESA-N 1 1 344.463 0.516 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2cc(C3CC3)no2)[C@@H](n2ccnn2)C1 ZINC001069945904 790224506 /nfs/dbraw/zinc/22/45/06/790224506.db2.gz CHVBEMUWTYKOGX-CVEARBPZSA-N 1 1 342.403 0.914 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2cc(C3CC3)no2)[C@@H](n2ccnn2)C1 ZINC001069945904 790224510 /nfs/dbraw/zinc/22/45/10/790224510.db2.gz CHVBEMUWTYKOGX-CVEARBPZSA-N 1 1 342.403 0.914 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1n1ccnn1 ZINC001069949257 790229079 /nfs/dbraw/zinc/22/90/79/790229079.db2.gz NJGXZMDIHDTGLW-PMPSAXMXSA-N 1 1 330.436 0.126 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](n2ccnn2)C1 ZINC001069953637 790235551 /nfs/dbraw/zinc/23/55/51/790235551.db2.gz PCQCZRKWKANDCT-CABCVRRESA-N 1 1 329.408 0.415 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](n2ccnn2)C1 ZINC001069953637 790235557 /nfs/dbraw/zinc/23/55/57/790235557.db2.gz PCQCZRKWKANDCT-CABCVRRESA-N 1 1 329.408 0.415 20 30 ECEDMO C[N@@H+](CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2)C1CCC1 ZINC001068863391 791295353 /nfs/dbraw/zinc/29/53/53/791295353.db2.gz VVOKUHAVFFHEPG-HNNXBMFYSA-N 1 1 345.443 0.370 20 30 ECEDMO C[C@@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068871336 791313782 /nfs/dbraw/zinc/31/37/82/791313782.db2.gz QTXOFKLHOGBVLD-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068891267 791352998 /nfs/dbraw/zinc/35/29/98/791352998.db2.gz KEYJGFDXRYBKPS-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2nccnc2C#N)[C@@H]1C ZINC001068921605 791426799 /nfs/dbraw/zinc/42/67/99/791426799.db2.gz SHEPRCHDFNGQQD-QWHCGFSZSA-N 1 1 325.376 0.955 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H](C)C#N)CO2 ZINC001069002246 791571773 /nfs/dbraw/zinc/57/17/73/791571773.db2.gz CTIYUXMGPRJHNQ-KGLIPLIRSA-N 1 1 336.436 0.364 20 30 ECEDMO C[C@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119231 791719986 /nfs/dbraw/zinc/71/99/86/791719986.db2.gz PXYSBDCSNJDINT-ZFWWWQNUSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2ccnc(C)n2)C1 ZINC001066687201 791990071 /nfs/dbraw/zinc/99/00/71/791990071.db2.gz HXTXKQZZSAMKNQ-CVEARBPZSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2ccnc(C)n2)C1 ZINC001066687201 791990073 /nfs/dbraw/zinc/99/00/73/791990073.db2.gz HXTXKQZZSAMKNQ-CVEARBPZSA-N 1 1 343.431 0.522 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001066750699 792097499 /nfs/dbraw/zinc/09/74/99/792097499.db2.gz XQJAUJPXQLDEFN-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](C)OCC=C ZINC001067690616 792106641 /nfs/dbraw/zinc/10/66/41/792106641.db2.gz HNHISBABINLDRN-IRXDYDNUSA-N 1 1 349.475 0.982 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](C)OCC=C ZINC001067690616 792106647 /nfs/dbraw/zinc/10/66/47/792106647.db2.gz HNHISBABINLDRN-IRXDYDNUSA-N 1 1 349.475 0.982 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1cncc(C#N)n1 ZINC001067762839 792246437 /nfs/dbraw/zinc/24/64/37/792246437.db2.gz KBTATXYLXRXKPL-DZGCQCFKSA-N 1 1 328.420 0.727 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067866026 792392903 /nfs/dbraw/zinc/39/29/03/792392903.db2.gz TUJFNMVSIUKIQD-YMAMQOFZSA-N 1 1 342.447 0.950 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2nccnc2C#N)CC[C@H]1C ZINC001067961083 792507867 /nfs/dbraw/zinc/50/78/67/792507867.db2.gz MVFCJSSTEYORMD-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC[C@H]1C ZINC001067981008 792539012 /nfs/dbraw/zinc/53/90/12/792539012.db2.gz VBJOKAJUGDLUNG-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2nccnc2C#N)CC[C@@H]1C ZINC001067981252 792540036 /nfs/dbraw/zinc/54/00/36/792540036.db2.gz XPBHLKHBAKZLTO-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001067001043 792544891 /nfs/dbraw/zinc/54/48/91/792544891.db2.gz KEMWFQKCZBYMRB-LSDHHAIUSA-N 1 1 325.453 0.694 20 30 ECEDMO C#CCC1(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001067080707 792677880 /nfs/dbraw/zinc/67/78/80/792677880.db2.gz SVEKNDJCHCRDFI-INIZCTEOSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCC1(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001067080707 792677886 /nfs/dbraw/zinc/67/78/86/792677886.db2.gz SVEKNDJCHCRDFI-INIZCTEOSA-N 1 1 349.475 0.818 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2nccnc2C#N)CC1(C)C ZINC001068111864 792690667 /nfs/dbraw/zinc/69/06/67/792690667.db2.gz BEBSBAZKUPDHQC-AWEZNQCLSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)CC2(C)C)C1 ZINC001068113432 792693105 /nfs/dbraw/zinc/69/31/05/792693105.db2.gz JHEUOUYHYAGECH-TZMCWYRMSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067115925 792712915 /nfs/dbraw/zinc/71/29/15/792712915.db2.gz BHZIVINFGQXEEY-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067196460 792805860 /nfs/dbraw/zinc/80/58/60/792805860.db2.gz SBJIBJIORVVVJF-KBPBESRZSA-N 1 1 342.447 0.761 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4C#N)C[C@H]32)CC[N@H+]1C ZINC001068207738 792828450 /nfs/dbraw/zinc/82/84/50/792828450.db2.gz WKNVSFLZCQJARJ-RYPNDVFKSA-N 1 1 340.431 0.487 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1C ZINC001067401362 793101635 /nfs/dbraw/zinc/10/16/35/793101635.db2.gz MWNNRNRJNADQBR-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068420285 793277805 /nfs/dbraw/zinc/27/78/05/793277805.db2.gz LCWSWMQGHDXQHT-UHFFFAOYSA-N 1 1 335.448 0.427 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068435000 793308588 /nfs/dbraw/zinc/30/85/88/793308588.db2.gz KIGBPWRFQYVSQG-HZPDHXFCSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267489160 837553144 /nfs/dbraw/zinc/55/31/44/837553144.db2.gz VYHQUPUIQQYTQP-CQSZACIVSA-N 1 1 333.436 0.567 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267489160 837553146 /nfs/dbraw/zinc/55/31/46/837553146.db2.gz VYHQUPUIQQYTQP-CQSZACIVSA-N 1 1 333.436 0.567 20 30 ECEDMO C[C@@H]([NH2+][C@H](CNC(=O)C#CC1CC1)c1ccccc1)C(=O)NC(N)=O ZINC001267519852 837669173 /nfs/dbraw/zinc/66/91/73/837669173.db2.gz JKOBJVSKCLITEM-IUODEOHRSA-N 1 1 342.399 0.430 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)c1cnco1)c1ccccc1 ZINC001267519982 837670080 /nfs/dbraw/zinc/67/00/80/837670080.db2.gz NXRSVMRPZXKVSV-HIFRSBDPSA-N 1 1 340.383 0.873 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)Cc1ccc[nH]1)c1ccccc1 ZINC001267526989 837694544 /nfs/dbraw/zinc/69/45/44/837694544.db2.gz WCCHXOISYZSMAR-KRWDZBQOSA-N 1 1 338.411 0.754 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)CNC(=O)c2ccncc2)C1 ZINC001267531615 837705610 /nfs/dbraw/zinc/70/56/10/837705610.db2.gz VKYRISQEXCNQMD-HNNXBMFYSA-N 1 1 328.416 0.663 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCCO ZINC001267533745 837709730 /nfs/dbraw/zinc/70/97/30/837709730.db2.gz MUIIVPMYVMVHPK-YVSFHVDLSA-N 1 1 338.448 0.652 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CCC)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001267539641 837723302 /nfs/dbraw/zinc/72/33/02/837723302.db2.gz IQXSUJUVEAUQHK-YJBOKZPZSA-N 1 1 337.464 0.859 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001267539641 837723308 /nfs/dbraw/zinc/72/33/08/837723308.db2.gz IQXSUJUVEAUQHK-YJBOKZPZSA-N 1 1 337.464 0.859 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CCC)S(N)(=O)=O)C1 ZINC001267544887 837733523 /nfs/dbraw/zinc/73/35/23/837733523.db2.gz VGWZACAWDNZXRQ-KGLIPLIRSA-N 1 1 331.482 0.943 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CCC)S(N)(=O)=O)C1 ZINC001267544887 837733530 /nfs/dbraw/zinc/73/35/30/837733530.db2.gz VGWZACAWDNZXRQ-KGLIPLIRSA-N 1 1 331.482 0.943 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)/C=C/c2ccco2)C1 ZINC001267550111 837750026 /nfs/dbraw/zinc/75/00/26/837750026.db2.gz PAQCEUORPXZNIF-RDFMZFSFSA-N 1 1 330.388 0.761 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CCNC(=O)c3cnns3)C2)C1=O ZINC001267551253 837751844 /nfs/dbraw/zinc/75/18/44/837751844.db2.gz LZKPWCYQSMIPFK-STQMWFEESA-N 1 1 349.460 0.767 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](F)CC)C1 ZINC001267560882 837771529 /nfs/dbraw/zinc/77/15/29/837771529.db2.gz KSDBYLLCKQRQAM-QWHCGFSZSA-N 1 1 342.415 0.575 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001267562212 837775601 /nfs/dbraw/zinc/77/56/01/837775601.db2.gz YMNFMOUIOHIMFU-ZDUSSCGKSA-N 1 1 326.404 0.828 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001267564473 837779131 /nfs/dbraw/zinc/77/91/31/837779131.db2.gz BLPALCPUPZDFIW-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001267571684 837805663 /nfs/dbraw/zinc/80/56/63/837805663.db2.gz QOJVNMQHZYMKAZ-CQSZACIVSA-N 1 1 348.451 0.384 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](CC(C)C)C(N)=O)C1 ZINC001267571722 837806340 /nfs/dbraw/zinc/80/63/40/837806340.db2.gz RIBZFAXTTQSSGL-CVEARBPZSA-N 1 1 337.464 0.612 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cnoc2CC)C1 ZINC001267576702 837832084 /nfs/dbraw/zinc/83/20/84/837832084.db2.gz WNDAXBKDPUMQFU-KBPBESRZSA-N 1 1 346.431 0.817 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)CC(C)C)C1 ZINC001266254474 835560434 /nfs/dbraw/zinc/56/04/34/835560434.db2.gz KLJQIQHIJWGSON-MRXNPFEDSA-N 1 1 337.464 0.769 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)CC(C)C)C1 ZINC001266254474 835560439 /nfs/dbraw/zinc/56/04/39/835560439.db2.gz KLJQIQHIJWGSON-MRXNPFEDSA-N 1 1 337.464 0.769 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)COc2c(C)nn(C)c2C)CC1 ZINC001266263243 835575764 /nfs/dbraw/zinc/57/57/64/835575764.db2.gz ZEMIRBQFVUQPCX-UHFFFAOYSA-N 1 1 349.479 0.726 20 30 ECEDMO C#CCOCCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC001266275292 835598565 /nfs/dbraw/zinc/59/85/65/835598565.db2.gz UIOHFCLJMGNNFV-INIZCTEOSA-N 1 1 337.464 0.865 20 30 ECEDMO C#CCOCCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC001266275292 835598571 /nfs/dbraw/zinc/59/85/71/835598571.db2.gz UIOHFCLJMGNNFV-INIZCTEOSA-N 1 1 337.464 0.865 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)C(=O)Nc2cc(C)on2)CC1 ZINC001266277925 835604596 /nfs/dbraw/zinc/60/45/96/835604596.db2.gz XFQPUUWZNSFRIB-UHFFFAOYSA-N 1 1 347.419 0.069 20 30 ECEDMO O=C(C#CC1CC1)NCCN1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC001266283243 835614093 /nfs/dbraw/zinc/61/40/93/835614093.db2.gz JYQBUIPYXIDSDJ-SFHVURJKSA-N 1 1 349.475 0.329 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@H](C)OCc2ccncc2)CC1 ZINC001266292439 835637120 /nfs/dbraw/zinc/63/71/20/835637120.db2.gz INGFMARSSLOPGS-KRWDZBQOSA-N 1 1 344.459 0.744 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc2ccccc2nn1 ZINC001266306214 835670294 /nfs/dbraw/zinc/67/02/94/835670294.db2.gz HUJDHABTNJVCOC-CYBMUJFWSA-N 1 1 339.399 0.429 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc2ccccc2nn1 ZINC001266306214 835670295 /nfs/dbraw/zinc/67/02/95/835670295.db2.gz HUJDHABTNJVCOC-CYBMUJFWSA-N 1 1 339.399 0.429 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](NC(=O)C(C)(C)CN2CCOCC2)C1 ZINC001266326149 835703326 /nfs/dbraw/zinc/70/33/26/835703326.db2.gz YNMSGGNWUXTTEY-INIZCTEOSA-N 1 1 339.480 0.738 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CN2CCOCC2)C1 ZINC001266326149 835703332 /nfs/dbraw/zinc/70/33/32/835703332.db2.gz YNMSGGNWUXTTEY-INIZCTEOSA-N 1 1 339.480 0.738 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1cc(Cl)cn1 ZINC001266329992 835710369 /nfs/dbraw/zinc/71/03/69/835710369.db2.gz PNQQYUAIZQTYSF-NSHDSACASA-N 1 1 327.816 0.275 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1cc(Cl)cn1 ZINC001266329992 835710375 /nfs/dbraw/zinc/71/03/75/835710375.db2.gz PNQQYUAIZQTYSF-NSHDSACASA-N 1 1 327.816 0.275 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001266333667 835716126 /nfs/dbraw/zinc/71/61/26/835716126.db2.gz RQCOTZKXZWAOGI-GJZGRUSLSA-N 1 1 347.463 0.461 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001266333667 835716131 /nfs/dbraw/zinc/71/61/31/835716131.db2.gz RQCOTZKXZWAOGI-GJZGRUSLSA-N 1 1 347.463 0.461 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC001266335696 835719049 /nfs/dbraw/zinc/71/90/49/835719049.db2.gz CLYYYUUTDBDOEN-OAHLLOKOSA-N 1 1 343.493 0.652 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc2nccn2c1 ZINC001266347769 835739786 /nfs/dbraw/zinc/73/97/86/835739786.db2.gz QNWIQZSIIDOCKV-ZDUSSCGKSA-N 1 1 327.388 0.134 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2nccn2c1 ZINC001266347769 835739791 /nfs/dbraw/zinc/73/97/91/835739791.db2.gz QNWIQZSIIDOCKV-ZDUSSCGKSA-N 1 1 327.388 0.134 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001266356294 835760425 /nfs/dbraw/zinc/76/04/25/835760425.db2.gz SLYVTACDYXGTAV-LSDHHAIUSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001266356294 835760435 /nfs/dbraw/zinc/76/04/35/835760435.db2.gz SLYVTACDYXGTAV-LSDHHAIUSA-N 1 1 335.448 0.522 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC=C)C1 ZINC001266356303 835760587 /nfs/dbraw/zinc/76/05/87/835760587.db2.gz SQNKEYUDBLEPPS-KRWDZBQOSA-N 1 1 325.412 0.703 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC=C)C1 ZINC001266356303 835760597 /nfs/dbraw/zinc/76/05/97/835760597.db2.gz SQNKEYUDBLEPPS-KRWDZBQOSA-N 1 1 325.412 0.703 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001266361303 835771162 /nfs/dbraw/zinc/77/11/62/835771162.db2.gz KTCGXIZYDTVDOX-GJZGRUSLSA-N 1 1 333.436 0.542 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001266363937 835774998 /nfs/dbraw/zinc/77/49/98/835774998.db2.gz OKQAKCWQIZLCGM-AWEZNQCLSA-N 1 1 342.399 0.733 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001266363937 835775006 /nfs/dbraw/zinc/77/50/06/835775006.db2.gz OKQAKCWQIZLCGM-AWEZNQCLSA-N 1 1 342.399 0.733 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cc2ccsc2)CC1 ZINC001266363842 835775148 /nfs/dbraw/zinc/77/51/48/835775148.db2.gz NZHKTQKOYXLPKI-AWEZNQCLSA-N 1 1 346.456 0.901 20 30 ECEDMO C=CCNC(=O)CN1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001266382280 835793126 /nfs/dbraw/zinc/79/31/26/835793126.db2.gz KRCSAZNNUQQCID-OAHLLOKOSA-N 1 1 336.480 0.600 20 30 ECEDMO C=CCNC(=O)CN1CCC2(C[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001266382280 835793133 /nfs/dbraw/zinc/79/31/33/835793133.db2.gz KRCSAZNNUQQCID-OAHLLOKOSA-N 1 1 336.480 0.600 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001266399312 835807435 /nfs/dbraw/zinc/80/74/35/835807435.db2.gz QXROZUOEBMZLDG-ZDUSSCGKSA-N 1 1 341.415 0.753 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001266399312 835807443 /nfs/dbraw/zinc/80/74/43/835807443.db2.gz QXROZUOEBMZLDG-ZDUSSCGKSA-N 1 1 341.415 0.753 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc2ncccc2o1 ZINC001266403172 835810436 /nfs/dbraw/zinc/81/04/36/835810436.db2.gz HAXDIFWSVVVZPS-UHFFFAOYSA-N 1 1 328.372 0.629 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc2ncccc2o1 ZINC001266403172 835810438 /nfs/dbraw/zinc/81/04/38/835810438.db2.gz HAXDIFWSVVVZPS-UHFFFAOYSA-N 1 1 328.372 0.629 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1OCCc2ccccc21 ZINC001266408191 835814205 /nfs/dbraw/zinc/81/42/05/835814205.db2.gz CHYLNNXQCYICHM-SFHVURJKSA-N 1 1 343.427 0.488 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1OCCc2ccccc21 ZINC001266408191 835814212 /nfs/dbraw/zinc/81/42/12/835814212.db2.gz CHYLNNXQCYICHM-SFHVURJKSA-N 1 1 343.427 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CC)[C@@H]2CCN(CC=C)C2=O)c1 ZINC001266416381 835821095 /nfs/dbraw/zinc/82/10/95/835821095.db2.gz HIPIGIRLRLVELK-QGZVFWFLSA-N 1 1 340.427 0.902 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC)[C@H]2CCCN(C)C2=O)cn1 ZINC001266432098 835835081 /nfs/dbraw/zinc/83/50/81/835835081.db2.gz RHRMTYOTNXPFJQ-INIZCTEOSA-N 1 1 328.416 0.735 20 30 ECEDMO COCCCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001266451917 835854591 /nfs/dbraw/zinc/85/45/91/835854591.db2.gz IOFQVGUIDDEOEP-CABCVRRESA-N 1 1 338.452 0.469 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001266458859 835861828 /nfs/dbraw/zinc/86/18/28/835861828.db2.gz DWLOZJSMGSXTEA-OAHLLOKOSA-N 1 1 335.452 0.718 20 30 ECEDMO C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC001266459157 835862250 /nfs/dbraw/zinc/86/22/50/835862250.db2.gz KTRJYCQPEDLKDN-OAHLLOKOSA-N 1 1 328.478 0.861 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC001266459157 835862256 /nfs/dbraw/zinc/86/22/56/835862256.db2.gz KTRJYCQPEDLKDN-OAHLLOKOSA-N 1 1 328.478 0.861 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266461111 835863998 /nfs/dbraw/zinc/86/39/98/835863998.db2.gz JVIKPMZDXOMWCS-GOEBONIOSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266461111 835864003 /nfs/dbraw/zinc/86/40/03/835864003.db2.gz JVIKPMZDXOMWCS-GOEBONIOSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)nn1CC ZINC001266482522 835882237 /nfs/dbraw/zinc/88/22/37/835882237.db2.gz CVTWLFDYVBTGKN-GJZGRUSLSA-N 1 1 345.447 0.544 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)nn1CC ZINC001266482522 835882245 /nfs/dbraw/zinc/88/22/45/835882245.db2.gz CVTWLFDYVBTGKN-GJZGRUSLSA-N 1 1 345.447 0.544 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001266488831 835888449 /nfs/dbraw/zinc/88/84/49/835888449.db2.gz QHRYLSJXMKSNJG-HIFRSBDPSA-N 1 1 345.447 0.397 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001266488831 835888453 /nfs/dbraw/zinc/88/84/53/835888453.db2.gz QHRYLSJXMKSNJG-HIFRSBDPSA-N 1 1 345.447 0.397 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncn(C)c1=O ZINC001266489362 835888903 /nfs/dbraw/zinc/88/89/03/835888903.db2.gz CCJRRZGTDCPLIP-KFWWJZLASA-N 1 1 333.436 0.612 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC ZINC001266492302 835891106 /nfs/dbraw/zinc/89/11/06/835891106.db2.gz MSXDADSYQGMRGD-PBHICJAKSA-N 1 1 327.428 0.926 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](OC)C1CCCC1 ZINC001266491976 835891119 /nfs/dbraw/zinc/89/11/19/835891119.db2.gz FESFNKSXYNUHLT-DOTOQJQBSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](OC)C1CCCC1 ZINC001266491976 835891125 /nfs/dbraw/zinc/89/11/25/835891125.db2.gz FESFNKSXYNUHLT-DOTOQJQBSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCCOCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NC ZINC001266497203 835897912 /nfs/dbraw/zinc/89/79/12/835897912.db2.gz BYOXJKLLEOROEW-STQMWFEESA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCCOCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NC ZINC001266497203 835897917 /nfs/dbraw/zinc/89/79/17/835897917.db2.gz BYOXJKLLEOROEW-STQMWFEESA-N 1 1 340.424 0.004 20 30 ECEDMO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266499626 835900587 /nfs/dbraw/zinc/90/05/87/835900587.db2.gz DRRGNNJOSFLZBX-KGLIPLIRSA-N 1 1 340.493 0.842 20 30 ECEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O ZINC001266502060 835903127 /nfs/dbraw/zinc/90/31/27/835903127.db2.gz UKYQPFNSQKKXGT-MELADBBJSA-N 1 1 334.420 0.568 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H](C)COC)C2)CC1 ZINC001266504915 835905816 /nfs/dbraw/zinc/90/58/16/835905816.db2.gz XYROAMISHCNUTM-IAGOWNOFSA-N 1 1 349.475 0.675 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](C)COC)C2)CC1 ZINC001266504917 835906832 /nfs/dbraw/zinc/90/68/32/835906832.db2.gz XYROAMISHCNUTM-SJORKVTESA-N 1 1 349.475 0.675 20 30 ECEDMO C[C@H](C[N@H+]1CC[C@@H](CNC(=O)C#CC2CC2)C1)CS(C)(=O)=O ZINC001266514534 835925720 /nfs/dbraw/zinc/92/57/20/835925720.db2.gz RXIYZIDURUVQOY-HIFRSBDPSA-N 1 1 326.462 0.519 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N[C@@H](C)CC)C2)nn1 ZINC001266537251 835955657 /nfs/dbraw/zinc/95/56/57/835955657.db2.gz HHJMHLKDODATII-KBPBESRZSA-N 1 1 348.451 0.431 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001266540384 835960901 /nfs/dbraw/zinc/96/09/01/835960901.db2.gz VPVLXYBPDSSSOV-CQSZACIVSA-N 1 1 333.436 0.395 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnoc2C2CC2)C1 ZINC001266540173 835961265 /nfs/dbraw/zinc/96/12/65/835961265.db2.gz QSUOXTIHAAMQNF-CHWSQXEVSA-N 1 1 344.415 0.742 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc(CCC)on2)C1 ZINC001266540061 835961732 /nfs/dbraw/zinc/96/17/32/835961732.db2.gz NYHOWPLCOVCUHX-CYBMUJFWSA-N 1 1 334.420 0.981 20 30 ECEDMO Cc1ccc(CC(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cn1 ZINC001266548764 835971126 /nfs/dbraw/zinc/97/11/26/835971126.db2.gz GYJHIRRJRCLHOT-HNNXBMFYSA-N 1 1 329.404 0.010 20 30 ECEDMO Cc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cn1 ZINC001266548764 835971135 /nfs/dbraw/zinc/97/11/35/835971135.db2.gz GYJHIRRJRCLHOT-HNNXBMFYSA-N 1 1 329.404 0.010 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266549629 835973426 /nfs/dbraw/zinc/97/34/26/835973426.db2.gz ZLZYYWFVGMAJCQ-KGLIPLIRSA-N 1 1 336.436 0.673 20 30 ECEDMO C=CCCOCC(=O)NC[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001266551204 835976918 /nfs/dbraw/zinc/97/69/18/835976918.db2.gz NLZRAUNRDAEAHD-HUUCEWRRSA-N 1 1 344.477 0.452 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H]([NH2+]Cc2nonc2C)C1 ZINC001266553874 835981068 /nfs/dbraw/zinc/98/10/68/835981068.db2.gz WRGQPDGUFWQJCD-UONOGXRCSA-N 1 1 335.408 0.539 20 30 ECEDMO C=CCN1CC[C@H](N(CCC)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001266556496 835983879 /nfs/dbraw/zinc/98/38/79/835983879.db2.gz PGKIBGUOWRIEBD-HOTGVXAUSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCN1CC[C@H](N(CCC)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001266556496 835983895 /nfs/dbraw/zinc/98/38/95/835983895.db2.gz PGKIBGUOWRIEBD-HOTGVXAUSA-N 1 1 336.480 0.696 20 30 ECEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001266564773 835993769 /nfs/dbraw/zinc/99/37/69/835993769.db2.gz ASWUSUXIKCYHJZ-UHFFFAOYSA-N 1 1 329.422 0.945 20 30 ECEDMO C=CCCOCC(=O)N1CC[C@H]([NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001266569827 836000037 /nfs/dbraw/zinc/00/00/37/836000037.db2.gz MZNQUURSJUVWHF-AWEZNQCLSA-N 1 1 333.436 0.976 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccnc(C)n3)C2)C1=O ZINC000970896634 836017697 /nfs/dbraw/zinc/01/76/97/836017697.db2.gz VJXIOSUMIKMCRY-MLGOLLRUSA-N 1 1 343.431 0.622 20 30 ECEDMO CC(C)C#CC(=O)NCC[N@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC001266590101 836021046 /nfs/dbraw/zinc/02/10/46/836021046.db2.gz BQEVKFWKVSRVFS-HOTGVXAUSA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)C#CC(=O)NCC[N@@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC001266590101 836021054 /nfs/dbraw/zinc/02/10/54/836021054.db2.gz BQEVKFWKVSRVFS-HOTGVXAUSA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)C#CC(=O)NCC[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC001266590102 836021169 /nfs/dbraw/zinc/02/11/69/836021169.db2.gz BQEVKFWKVSRVFS-HZPDHXFCSA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)C#CC(=O)NCC[N@@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC001266590102 836021182 /nfs/dbraw/zinc/02/11/82/836021182.db2.gz BQEVKFWKVSRVFS-HZPDHXFCSA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[N@@H+](C[C@H](O)Cn1cccn1)C1CC1 ZINC001266592626 836022983 /nfs/dbraw/zinc/02/29/83/836022983.db2.gz WPXIRSREWPXHBF-INIZCTEOSA-N 1 1 332.448 0.874 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cncnc1CC)C1CC1 ZINC001266619225 836055180 /nfs/dbraw/zinc/05/51/80/836055180.db2.gz DXFAWAWBMKEJLU-ZDUSSCGKSA-N 1 1 343.431 0.371 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cncnc1CC)C1CC1 ZINC001266619225 836055192 /nfs/dbraw/zinc/05/51/92/836055192.db2.gz DXFAWAWBMKEJLU-ZDUSSCGKSA-N 1 1 343.431 0.371 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)Cc1ccc(C)nc1)C1CC1 ZINC001266619316 836055683 /nfs/dbraw/zinc/05/56/83/836055683.db2.gz IOHUTSVOUGHTRB-HNNXBMFYSA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)Cc1ccc(C)nc1)C1CC1 ZINC001266619316 836055689 /nfs/dbraw/zinc/05/56/89/836055689.db2.gz IOHUTSVOUGHTRB-HNNXBMFYSA-N 1 1 342.443 0.651 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1ncc2n1CCCC2)C1CC1 ZINC001266619265 836055722 /nfs/dbraw/zinc/05/57/22/836055722.db2.gz GRKSSVFANGLSHV-UHFFFAOYSA-N 1 1 345.447 0.716 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1ncc2n1CCCC2)C1CC1 ZINC001266619265 836055735 /nfs/dbraw/zinc/05/57/35/836055735.db2.gz GRKSSVFANGLSHV-UHFFFAOYSA-N 1 1 345.447 0.716 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCOCC2)C1 ZINC001266656166 836090771 /nfs/dbraw/zinc/09/07/71/836090771.db2.gz PGTHJUMZYJEOJS-HZPDHXFCSA-N 1 1 348.447 0.366 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCOCC2)C1 ZINC001266656166 836090781 /nfs/dbraw/zinc/09/07/81/836090781.db2.gz PGTHJUMZYJEOJS-HZPDHXFCSA-N 1 1 348.447 0.366 20 30 ECEDMO CC(F)(F)CC(=O)N1CCC[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266658240 836092546 /nfs/dbraw/zinc/09/25/46/836092546.db2.gz ASHCWOVRGVEBDG-OLZOCXBDSA-N 1 1 342.390 0.984 20 30 ECEDMO CC(F)(F)CC(=O)N1CCC[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266658240 836092555 /nfs/dbraw/zinc/09/25/55/836092555.db2.gz ASHCWOVRGVEBDG-OLZOCXBDSA-N 1 1 342.390 0.984 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccnn2C)C1 ZINC001266658754 836094773 /nfs/dbraw/zinc/09/47/73/836094773.db2.gz IFFMKZJBGHHUNM-JKSUJKDBSA-N 1 1 330.432 0.996 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2csnn2)C1 ZINC001266658834 836095446 /nfs/dbraw/zinc/09/54/46/836095446.db2.gz IXHOLGQBKSLVCY-TZMCWYRMSA-N 1 1 349.460 0.767 20 30 ECEDMO C#CCCCCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001279480099 836151264 /nfs/dbraw/zinc/15/12/64/836151264.db2.gz ONBQQKARCLVNHL-QAPCUYQASA-N 1 1 337.464 0.600 20 30 ECEDMO C#CCCCCC(=O)N[C@@]1(CO)CCC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001279480099 836151268 /nfs/dbraw/zinc/15/12/68/836151268.db2.gz ONBQQKARCLVNHL-QAPCUYQASA-N 1 1 337.464 0.600 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccco2)C1 ZINC001266737610 836220506 /nfs/dbraw/zinc/22/05/06/836220506.db2.gz ZGHGWGXTYMHXPX-GEXIGZQTSA-N 1 1 330.388 0.761 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)/C=C\c2ccco2)C1 ZINC001266737610 836220514 /nfs/dbraw/zinc/22/05/14/836220514.db2.gz ZGHGWGXTYMHXPX-GEXIGZQTSA-N 1 1 330.388 0.761 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001266751176 836243486 /nfs/dbraw/zinc/24/34/86/836243486.db2.gz CSOXVWYFNJLLRI-CABCVRRESA-N 1 1 347.463 0.861 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCCF)C1 ZINC001266757693 836253675 /nfs/dbraw/zinc/25/36/75/836253675.db2.gz GNZDDTDVLKBTAX-CYBMUJFWSA-N 1 1 342.415 0.576 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCCF)C1 ZINC001266757693 836253683 /nfs/dbraw/zinc/25/36/83/836253683.db2.gz GNZDDTDVLKBTAX-CYBMUJFWSA-N 1 1 342.415 0.576 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001266758025 836255578 /nfs/dbraw/zinc/25/55/78/836255578.db2.gz MAVMTRXIHDTEFE-HNNXBMFYSA-N 1 1 346.431 0.891 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCC ZINC001266839538 836361592 /nfs/dbraw/zinc/36/15/92/836361592.db2.gz CYNCAVUPAUTQHF-RHSMWYFYSA-N 1 1 325.453 0.810 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCC ZINC001266839538 836361597 /nfs/dbraw/zinc/36/15/97/836361597.db2.gz CYNCAVUPAUTQHF-RHSMWYFYSA-N 1 1 325.453 0.810 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1ccncn1 ZINC001266845287 836373154 /nfs/dbraw/zinc/37/31/54/836373154.db2.gz VNCHSHIITJNRNW-MRXNPFEDSA-N 1 1 345.447 0.682 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1ccncn1 ZINC001266845287 836373160 /nfs/dbraw/zinc/37/31/60/836373160.db2.gz VNCHSHIITJNRNW-MRXNPFEDSA-N 1 1 345.447 0.682 20 30 ECEDMO COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC(=O)N(C)C ZINC001266855357 836389746 /nfs/dbraw/zinc/38/97/46/836389746.db2.gz AZOIEBRJINTGFX-MRXNPFEDSA-N 1 1 337.464 0.865 20 30 ECEDMO COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CCCC(=O)N(C)C ZINC001266855357 836389759 /nfs/dbraw/zinc/38/97/59/836389759.db2.gz AZOIEBRJINTGFX-MRXNPFEDSA-N 1 1 337.464 0.865 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCS(=O)(=O)N(C)C ZINC001266858011 836393458 /nfs/dbraw/zinc/39/34/58/836393458.db2.gz CENAWRVQWGHXHX-AWEZNQCLSA-N 1 1 331.482 0.815 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1nc[nH]n1 ZINC001266862878 836405601 /nfs/dbraw/zinc/40/56/01/836405601.db2.gz DSXOPLCSWAFUAE-CYBMUJFWSA-N 1 1 334.424 0.010 20 30 ECEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001266886847 836435868 /nfs/dbraw/zinc/43/58/68/836435868.db2.gz QAMLLQZJQBGWAG-ZIAGYGMSSA-N 1 1 336.436 0.993 20 30 ECEDMO C=CCOCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001266892185 836440485 /nfs/dbraw/zinc/44/04/85/836440485.db2.gz MHAGOJXLZPUOAE-CABCVRRESA-N 1 1 338.452 0.431 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001266894340 836445429 /nfs/dbraw/zinc/44/54/29/836445429.db2.gz IEABHBPMNDJNKP-ZIAGYGMSSA-N 1 1 345.509 0.965 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(C)C ZINC001266904771 836462228 /nfs/dbraw/zinc/46/22/28/836462228.db2.gz JLALSRQUPPTSBS-AQRJEWBLSA-N 1 1 348.447 0.337 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(C)C ZINC001266904771 836462230 /nfs/dbraw/zinc/46/22/30/836462230.db2.gz JLALSRQUPPTSBS-AQRJEWBLSA-N 1 1 348.447 0.337 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC001266974582 836544615 /nfs/dbraw/zinc/54/46/15/836544615.db2.gz USOQRABLUFASIB-MCIONIFRSA-N 1 1 333.436 0.800 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC001267041272 836667196 /nfs/dbraw/zinc/66/71/96/836667196.db2.gz MSWRRWKNQRJWKU-LBPRGKRZSA-N 1 1 342.403 0.312 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001299162029 836714656 /nfs/dbraw/zinc/71/46/56/836714656.db2.gz NQIJIFSFJXBMFG-AWEZNQCLSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCOCCC(=O)NCC1(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001299162221 836722363 /nfs/dbraw/zinc/72/23/63/836722363.db2.gz QYMOMQJWPDEUKF-UHFFFAOYSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CCCCOC)C1 ZINC001267099881 836769947 /nfs/dbraw/zinc/76/99/47/836769947.db2.gz FCGFKHUCKNJZNI-HOTGVXAUSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NC(=O)NC)C1 ZINC001267102526 836775413 /nfs/dbraw/zinc/77/54/13/836775413.db2.gz HOAZADXWFHMBAC-AWEZNQCLSA-N 1 1 336.436 0.558 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@H]([N@H+](C)CC(=O)NC(=O)NC)C1 ZINC001267102526 836775422 /nfs/dbraw/zinc/77/54/22/836775422.db2.gz HOAZADXWFHMBAC-AWEZNQCLSA-N 1 1 336.436 0.558 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@H]([N@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001267103066 836777171 /nfs/dbraw/zinc/77/71/71/836777171.db2.gz RQYOTBTZDIYIEJ-HUUCEWRRSA-N 1 1 333.432 0.908 20 30 ECEDMO CCO[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)C(C)C ZINC001267105575 836785612 /nfs/dbraw/zinc/78/56/12/836785612.db2.gz KXWUBMLBTMAKSC-ZBFHGGJFSA-N 1 1 338.452 0.610 20 30 ECEDMO CCO[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)C(C)C ZINC001267105575 836785620 /nfs/dbraw/zinc/78/56/20/836785620.db2.gz KXWUBMLBTMAKSC-ZBFHGGJFSA-N 1 1 338.452 0.610 20 30 ECEDMO CCS(=O)(=O)NCC[N@H+](C)[C@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001267106040 836786822 /nfs/dbraw/zinc/78/68/22/836786822.db2.gz ODGMGJHXXBHNLW-HNNXBMFYSA-N 1 1 343.493 0.508 20 30 ECEDMO CCS(=O)(=O)NCC[N@@H+](C)[C@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001267106040 836786828 /nfs/dbraw/zinc/78/68/28/836786828.db2.gz ODGMGJHXXBHNLW-HNNXBMFYSA-N 1 1 343.493 0.508 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001267108402 836791226 /nfs/dbraw/zinc/79/12/26/836791226.db2.gz OPQUMCYCHMZHOR-HUUCEWRRSA-N 1 1 335.452 0.859 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1)C(F)(F)F ZINC001267108728 836792169 /nfs/dbraw/zinc/79/21/69/836792169.db2.gz QFZGFLOZUWDORK-MNOVXSKESA-N 1 1 334.342 0.747 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)C(F)(F)F ZINC001267108728 836792175 /nfs/dbraw/zinc/79/21/75/836792175.db2.gz QFZGFLOZUWDORK-MNOVXSKESA-N 1 1 334.342 0.747 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@H]([N@H+](C)CCNS(C)(=O)=O)C1 ZINC001267112313 836800048 /nfs/dbraw/zinc/80/00/48/836800048.db2.gz XXZXIHFMXBXJJH-OAHLLOKOSA-N 1 1 343.493 0.652 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@H]([N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001267112313 836800053 /nfs/dbraw/zinc/80/00/53/836800053.db2.gz XXZXIHFMXBXJJH-OAHLLOKOSA-N 1 1 343.493 0.652 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2cscn2)C1 ZINC001267112801 836802922 /nfs/dbraw/zinc/80/29/22/836802922.db2.gz XOQAMELLUWHFMK-ZFWWWQNUSA-N 1 1 348.472 0.746 20 30 ECEDMO C[C@H](CS(C)(=O)=O)C(=O)N(C)CC[NH2+]Cc1ccccc1C#N ZINC001267121759 836819738 /nfs/dbraw/zinc/81/97/38/836819738.db2.gz MFDHZUPGJPWCOQ-CYBMUJFWSA-N 1 1 337.445 0.787 20 30 ECEDMO O=C(C#CC1CC1)NCCC[C@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC001267164389 836882992 /nfs/dbraw/zinc/88/29/92/836882992.db2.gz IPEPQVRPWKFTQY-KRWDZBQOSA-N 1 1 347.459 0.619 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCCO1 ZINC001267166550 836889369 /nfs/dbraw/zinc/88/93/69/836889369.db2.gz ZCPOUCKFNJFVHD-LSDHHAIUSA-N 1 1 336.436 0.556 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CCNC1=O ZINC001267169444 836897066 /nfs/dbraw/zinc/89/70/66/836897066.db2.gz PFMLAKBQXCVUJJ-CVEARBPZSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CCN(C)C(=O)C1 ZINC001267170542 836901472 /nfs/dbraw/zinc/90/14/72/836901472.db2.gz ODCOEIJDDOSTKN-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cnc1C ZINC001267178475 836922948 /nfs/dbraw/zinc/92/29/48/836922948.db2.gz AEIKHTJUDBRPJE-OAHLLOKOSA-N 1 1 345.447 0.371 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C2(c3ccccn3)CC2)C1=O ZINC001267195806 836960943 /nfs/dbraw/zinc/96/09/43/836960943.db2.gz OZCQMYIQMWDWKX-HNNXBMFYSA-N 1 1 342.443 0.948 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C2(c3ccccn3)CC2)C1=O ZINC001267195806 836960955 /nfs/dbraw/zinc/96/09/55/836960955.db2.gz OZCQMYIQMWDWKX-HNNXBMFYSA-N 1 1 342.443 0.948 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2n[nH]c3c2CCCC3)C1=O ZINC001267205329 836984897 /nfs/dbraw/zinc/98/48/97/836984897.db2.gz HIDNBDBXTSJDDX-OAHLLOKOSA-N 1 1 345.447 0.737 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2n[nH]c3c2CCCC3)C1=O ZINC001267205329 836984905 /nfs/dbraw/zinc/98/49/05/836984905.db2.gz HIDNBDBXTSJDDX-OAHLLOKOSA-N 1 1 345.447 0.737 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1sc(C)nc1C ZINC001267208164 836993234 /nfs/dbraw/zinc/99/32/34/836993234.db2.gz XTJIOEGHOKNRCJ-LBPRGKRZSA-N 1 1 336.461 0.488 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1sc(C)nc1C ZINC001267208164 836993240 /nfs/dbraw/zinc/99/32/40/836993240.db2.gz XTJIOEGHOKNRCJ-LBPRGKRZSA-N 1 1 336.461 0.488 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ncn(C(C)(C)C)n1 ZINC001267217416 837007339 /nfs/dbraw/zinc/00/73/39/837007339.db2.gz GNZRBTFJYXGFFP-LBPRGKRZSA-N 1 1 336.440 0.385 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ncn(C(C)(C)C)n1 ZINC001267217416 837007350 /nfs/dbraw/zinc/00/73/50/837007350.db2.gz GNZRBTFJYXGFFP-LBPRGKRZSA-N 1 1 336.440 0.385 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1c[nH]c2ncccc12 ZINC001267230788 837034332 /nfs/dbraw/zinc/03/43/32/837034332.db2.gz CCYRHNKHHDESCT-LBPRGKRZSA-N 1 1 327.388 0.362 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c2ncccc12 ZINC001267230788 837034336 /nfs/dbraw/zinc/03/43/36/837034336.db2.gz CCYRHNKHHDESCT-LBPRGKRZSA-N 1 1 327.388 0.362 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001267234128 837039099 /nfs/dbraw/zinc/03/90/99/837039099.db2.gz FZCYXZADJNEWIR-OAHLLOKOSA-N 1 1 327.384 0.139 20 30 ECEDMO C[N@H+](CC#Cc1ccccc1)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001267234128 837039108 /nfs/dbraw/zinc/03/91/08/837039108.db2.gz FZCYXZADJNEWIR-OAHLLOKOSA-N 1 1 327.384 0.139 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1cccc(C)n1)C(C)C ZINC001267236046 837043101 /nfs/dbraw/zinc/04/31/01/837043101.db2.gz OFYYEJOHXPEUQO-UHFFFAOYSA-N 1 1 330.432 0.970 20 30 ECEDMO CC[N@@H+](CCNC(=O)CSCC#N)C[C@H]1CCNC(=O)CC1 ZINC001267237008 837044175 /nfs/dbraw/zinc/04/41/75/837044175.db2.gz WYQZQSMKXNSPFE-CYBMUJFWSA-N 1 1 326.466 0.598 20 30 ECEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267250421 837068877 /nfs/dbraw/zinc/06/88/77/837068877.db2.gz IWHWZEYELBOFTC-ZDUSSCGKSA-N 1 1 336.436 0.490 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cn(C)nc1Cl ZINC001267254249 837073550 /nfs/dbraw/zinc/07/35/50/837073550.db2.gz IEVVRBUPUICZPJ-NSHDSACASA-N 1 1 339.827 0.263 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cn(C)nc1Cl ZINC001267254249 837073562 /nfs/dbraw/zinc/07/35/62/837073562.db2.gz IEVVRBUPUICZPJ-NSHDSACASA-N 1 1 339.827 0.263 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ccc2nccn2c1)CC(=O)NCC#N ZINC001267254167 837073579 /nfs/dbraw/zinc/07/35/79/837073579.db2.gz FZNLGCHQEBMCBT-UHFFFAOYSA-N 1 1 328.376 0.026 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ccc2nccn2c1)CC(=O)NCC#N ZINC001267254167 837073588 /nfs/dbraw/zinc/07/35/88/837073588.db2.gz FZNLGCHQEBMCBT-UHFFFAOYSA-N 1 1 328.376 0.026 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cc(C)n(C)c1C ZINC001267256375 837080180 /nfs/dbraw/zinc/08/01/80/837080180.db2.gz TUWDBDHPZGEVBF-OAHLLOKOSA-N 1 1 332.448 0.832 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cc(C)n(C)c1C ZINC001267256375 837080189 /nfs/dbraw/zinc/08/01/89/837080189.db2.gz TUWDBDHPZGEVBF-OAHLLOKOSA-N 1 1 332.448 0.832 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC001267264968 837100775 /nfs/dbraw/zinc/10/07/75/837100775.db2.gz VHLVZFGQSBAXOW-HIFRSBDPSA-N 1 1 331.420 0.235 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC001267264968 837100778 /nfs/dbraw/zinc/10/07/78/837100778.db2.gz VHLVZFGQSBAXOW-HIFRSBDPSA-N 1 1 331.420 0.235 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)Cc2ccn(C)n2)C1=O ZINC001267266945 837102956 /nfs/dbraw/zinc/10/29/56/837102956.db2.gz JSOCGYLSJXCXIN-HZPDHXFCSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001267270454 837111092 /nfs/dbraw/zinc/11/10/92/837111092.db2.gz JHJJOJANTIBCLA-CABCVRRESA-N 1 1 345.447 0.328 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001267270454 837111095 /nfs/dbraw/zinc/11/10/95/837111095.db2.gz JHJJOJANTIBCLA-CABCVRRESA-N 1 1 345.447 0.328 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC001267271501 837113669 /nfs/dbraw/zinc/11/36/69/837113669.db2.gz WZAVICDZWRYMSJ-ZFWWWQNUSA-N 1 1 346.431 0.270 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1cncn1C ZINC001267280742 837129395 /nfs/dbraw/zinc/12/93/95/837129395.db2.gz GGVLMUQDZKQEME-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1cncn1C ZINC001267280742 837129389 /nfs/dbraw/zinc/12/93/89/837129389.db2.gz GGVLMUQDZKQEME-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001267283027 837131523 /nfs/dbraw/zinc/13/15/23/837131523.db2.gz ZRKCGTMWYUYWEU-ZDUSSCGKSA-N 1 1 339.399 0.507 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001267283027 837131526 /nfs/dbraw/zinc/13/15/26/837131526.db2.gz ZRKCGTMWYUYWEU-ZDUSSCGKSA-N 1 1 339.399 0.507 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001267289784 837140331 /nfs/dbraw/zinc/14/03/31/837140331.db2.gz UQWPQVCGLOUAGK-CQSZACIVSA-N 1 1 333.436 0.886 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001267293221 837146557 /nfs/dbraw/zinc/14/65/57/837146557.db2.gz OHTPLGCNQMOZQI-HZPDHXFCSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCC(F)F)C1 ZINC001267297462 837154590 /nfs/dbraw/zinc/15/45/90/837154590.db2.gz HYMRHJBSMARMED-LLVKDONJSA-N 1 1 346.378 0.482 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001267297233 837157421 /nfs/dbraw/zinc/15/74/21/837157421.db2.gz FCTGJFQOTGHHIT-LSDHHAIUSA-N 1 1 337.464 0.932 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2coc(C3CC3)n2)C1 ZINC001267302954 837169173 /nfs/dbraw/zinc/16/91/73/837169173.db2.gz JBRTXZQYRJOOKB-CHWSQXEVSA-N 1 1 344.415 0.742 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2coc(C3CC3)n2)C1 ZINC001267302955 837170080 /nfs/dbraw/zinc/17/00/80/837170080.db2.gz JBRTXZQYRJOOKB-OLZOCXBDSA-N 1 1 344.415 0.742 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2c(C)n[nH]c2C)C1 ZINC001267305196 837174581 /nfs/dbraw/zinc/17/45/81/837174581.db2.gz ILIKUXPWJPURSW-HNNXBMFYSA-N 1 1 347.463 0.699 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N(C)CC)C2)cn1 ZINC001267307427 837179844 /nfs/dbraw/zinc/17/98/44/837179844.db2.gz SIWOZLQLGZYALA-CQSZACIVSA-N 1 1 328.416 0.593 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(CC)n(C)n2)C1 ZINC001267308501 837183167 /nfs/dbraw/zinc/18/31/67/837183167.db2.gz AEWMIECNEGSMRC-KBPBESRZSA-N 1 1 347.463 0.725 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)CNC(=O)NCc2ccco2)C1 ZINC001267309623 837183569 /nfs/dbraw/zinc/18/35/69/837183569.db2.gz MVIGWFHUKLZWKX-CQSZACIVSA-N 1 1 332.404 0.540 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1cccc2n[nH]cc21 ZINC001267316149 837192007 /nfs/dbraw/zinc/19/20/07/837192007.db2.gz HHMTZHOKBUVPNP-UHFFFAOYSA-N 1 1 341.415 0.754 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1cccc2n[nH]cc21 ZINC001267316149 837192014 /nfs/dbraw/zinc/19/20/14/837192014.db2.gz HHMTZHOKBUVPNP-UHFFFAOYSA-N 1 1 341.415 0.754 20 30 ECEDMO CCC[N@H+](CCNC(=O)C1(C(F)(F)F)CC1)CC(=O)NCC#N ZINC001267317487 837193455 /nfs/dbraw/zinc/19/34/55/837193455.db2.gz ATEICUWCBNVHGG-UHFFFAOYSA-N 1 1 334.342 0.797 20 30 ECEDMO CCC[N@@H+](CCNC(=O)C1(C(F)(F)F)CC1)CC(=O)NCC#N ZINC001267317487 837193461 /nfs/dbraw/zinc/19/34/61/837193461.db2.gz ATEICUWCBNVHGG-UHFFFAOYSA-N 1 1 334.342 0.797 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CCC)[C@@H]2CCN(C)C2=O)c1 ZINC001267317102 837193682 /nfs/dbraw/zinc/19/36/82/837193682.db2.gz NZZJNNWQKJAQLK-MRXNPFEDSA-N 1 1 328.416 0.735 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1ccnc(OC)c1)C1CC1 ZINC001267327878 837206571 /nfs/dbraw/zinc/20/65/71/837206571.db2.gz CWATVULIQFCORI-CYBMUJFWSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1ccnc(OC)c1)C1CC1 ZINC001267327878 837206575 /nfs/dbraw/zinc/20/65/75/837206575.db2.gz CWATVULIQFCORI-CYBMUJFWSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001267369461 837269166 /nfs/dbraw/zinc/26/91/66/837269166.db2.gz BWCDZCKRZAQCMK-INIZCTEOSA-N 1 1 339.399 0.149 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC001267580003 837839968 /nfs/dbraw/zinc/83/99/68/837839968.db2.gz PCKKJKBQPVNYTH-UONOGXRCSA-N 1 1 346.406 0.753 20 30 ECEDMO C[N@@H+](C[C@H](O)Cn1cccn1)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267581426 837845890 /nfs/dbraw/zinc/84/58/90/837845890.db2.gz PMCCIDLUBKSLKN-SJORKVTESA-N 1 1 330.432 0.438 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)c2coc(C3CC3)n2)C1 ZINC001267582448 837847591 /nfs/dbraw/zinc/84/75/91/837847591.db2.gz DRZBXHQTJFOTEU-LBPRGKRZSA-N 1 1 345.403 0.634 20 30 ECEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001267586227 837862889 /nfs/dbraw/zinc/86/28/89/837862889.db2.gz MMUHYPCICPSPOS-LLVKDONJSA-N 1 1 327.406 0.507 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001267586412 837864206 /nfs/dbraw/zinc/86/42/06/837864206.db2.gz RAJFJGXXRVYIQD-OAHLLOKOSA-N 1 1 343.427 0.968 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)ccn2)C1 ZINC001267587958 837868988 /nfs/dbraw/zinc/86/89/88/837868988.db2.gz STLIBBDHDVAQSI-CQSZACIVSA-N 1 1 346.431 0.786 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 ZINC001267588650 837872266 /nfs/dbraw/zinc/87/22/66/837872266.db2.gz YBBWRPUWZNYCMK-ZDUSSCGKSA-N 1 1 344.415 0.695 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267589019 837873383 /nfs/dbraw/zinc/87/33/83/837873383.db2.gz HCBREOCCPFADBF-AWEZNQCLSA-N 1 1 329.466 0.072 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NC3CC3)C2)cn1 ZINC001267593060 837888567 /nfs/dbraw/zinc/88/85/67/837888567.db2.gz BWIYXKGQCOYATL-AWEZNQCLSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001267598376 837906521 /nfs/dbraw/zinc/90/65/21/837906521.db2.gz BTRXTLYRFINVGP-UHFFFAOYSA-N 1 1 342.390 0.842 20 30 ECEDMO CC(C)NC(=O)C[N@@H+](C)CC1CCN(C(=O)CSCC#N)CC1 ZINC001267598253 837907892 /nfs/dbraw/zinc/90/78/92/837907892.db2.gz YFSMDSFOXFDWPZ-UHFFFAOYSA-N 1 1 340.493 0.938 20 30 ECEDMO CCC[C@@H](OC)C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267599843 837914405 /nfs/dbraw/zinc/91/44/05/837914405.db2.gz FAQBFYNAJGJGRB-OAHLLOKOSA-N 1 1 338.452 0.612 20 30 ECEDMO C#CC[N@H+](C)CC1CCN(C(=O)c2ccccc2OCC(N)=O)CC1 ZINC001267601370 837922522 /nfs/dbraw/zinc/92/25/22/837922522.db2.gz LVAXWKNSSARYHE-UHFFFAOYSA-N 1 1 343.427 0.968 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CC[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC001267605871 837944238 /nfs/dbraw/zinc/94/42/38/837944238.db2.gz GDIQBTOQPJVLDO-GOSISDBHSA-N 1 1 349.479 0.323 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC001267608781 837959648 /nfs/dbraw/zinc/95/96/48/837959648.db2.gz COWQRLVQCFPRRM-QGZVFWFLSA-N 1 1 343.475 0.545 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCc2ccnn2C)C1 ZINC001267613962 837986579 /nfs/dbraw/zinc/98/65/79/837986579.db2.gz ZEDHUZFWWKFBHU-LSDHHAIUSA-N 1 1 347.463 0.624 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCc2ccnn2C)C1 ZINC001267613962 837986586 /nfs/dbraw/zinc/98/65/86/837986586.db2.gz ZEDHUZFWWKFBHU-LSDHHAIUSA-N 1 1 347.463 0.624 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001267620864 838058916 /nfs/dbraw/zinc/05/89/16/838058916.db2.gz IWCYGDOCYZQFNR-CQSZACIVSA-N 1 1 330.388 0.025 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001267620864 838058930 /nfs/dbraw/zinc/05/89/30/838058930.db2.gz IWCYGDOCYZQFNR-CQSZACIVSA-N 1 1 330.388 0.025 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001267624495 838069812 /nfs/dbraw/zinc/06/98/12/838069812.db2.gz GSXOBVUQHSFZPO-HOTGVXAUSA-N 1 1 335.448 0.210 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001267631815 838093529 /nfs/dbraw/zinc/09/35/29/838093529.db2.gz MREUPQQQVVEYTE-AWEZNQCLSA-N 1 1 346.431 0.195 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001267631815 838093542 /nfs/dbraw/zinc/09/35/42/838093542.db2.gz MREUPQQQVVEYTE-AWEZNQCLSA-N 1 1 346.431 0.195 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001267635491 838104439 /nfs/dbraw/zinc/10/44/39/838104439.db2.gz FHGKOFHRFJCVNU-AWEZNQCLSA-N 1 1 330.388 0.025 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001267635491 838104443 /nfs/dbraw/zinc/10/44/43/838104443.db2.gz FHGKOFHRFJCVNU-AWEZNQCLSA-N 1 1 330.388 0.025 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)CC(C)(C)COC)C1 ZINC001267666528 838190465 /nfs/dbraw/zinc/19/04/65/838190465.db2.gz UEWXTYDYLLULIC-OAHLLOKOSA-N 1 1 337.464 0.579 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2occ3c2CCC3)C1 ZINC001267667051 838195143 /nfs/dbraw/zinc/19/51/43/838195143.db2.gz YRARZXNWNXCNDG-AWEZNQCLSA-N 1 1 343.427 0.912 20 30 ECEDMO COCC#CCN1CC(CNC(=O)Cc2n[nH]c3c2CCCC3)C1 ZINC001267681157 838242107 /nfs/dbraw/zinc/24/21/07/838242107.db2.gz JWPGNPKTZBDMBR-UHFFFAOYSA-N 1 1 330.432 0.529 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001267681157 838242117 /nfs/dbraw/zinc/24/21/17/838242117.db2.gz JWPGNPKTZBDMBR-UHFFFAOYSA-N 1 1 330.432 0.529 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(CC)n2)C1 ZINC001267689932 838257189 /nfs/dbraw/zinc/25/71/89/838257189.db2.gz JIDMHJVGSPRPJC-AWEZNQCLSA-N 1 1 331.420 0.046 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cccnn2)C1 ZINC001267695361 838286660 /nfs/dbraw/zinc/28/66/60/838286660.db2.gz SYNDXYLUDDXKMC-AWEZNQCLSA-N 1 1 345.447 0.951 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001267703815 838307039 /nfs/dbraw/zinc/30/70/39/838307039.db2.gz XACYGTAZNBICDD-CYBMUJFWSA-N 1 1 339.395 0.987 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCCO2 ZINC001267710092 838319992 /nfs/dbraw/zinc/31/99/92/838319992.db2.gz HOIKQHYSDCXWDX-KBPBESRZSA-N 1 1 332.404 0.767 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCCO2 ZINC001267710092 838319998 /nfs/dbraw/zinc/31/99/98/838319998.db2.gz HOIKQHYSDCXWDX-KBPBESRZSA-N 1 1 332.404 0.767 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)c2cnn(CC)c2)CC1 ZINC001267718370 838369390 /nfs/dbraw/zinc/36/93/90/838369390.db2.gz IHGUVZPMPPCUGW-UHFFFAOYSA-N 1 1 345.447 0.436 20 30 ECEDMO Cn1ccc(C(=O)N2CCC(C[N@@H+](C)CC(=O)NCC#N)CC2)c1 ZINC001267724679 838388226 /nfs/dbraw/zinc/38/82/26/838388226.db2.gz IQWYBONTPSWXGT-UHFFFAOYSA-N 1 1 331.420 0.449 20 30 ECEDMO CCN(CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(=O)[C@@H](C)C#N ZINC001408789241 838431522 /nfs/dbraw/zinc/43/15/22/838431522.db2.gz YZZBVBZHKFBZFZ-JSGCOSHPSA-N 1 1 331.420 0.878 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC001267741889 838442952 /nfs/dbraw/zinc/44/29/52/838442952.db2.gz QKLADSVEQJWINO-MSOLQXFVSA-N 1 1 348.418 0.960 20 30 ECEDMO C#CC[N@H+](C)CC1CCN(C(=O)c2ccnc3c2nnn3C)CC1 ZINC001267745721 838452017 /nfs/dbraw/zinc/45/20/17/838452017.db2.gz CVNKRZBWGZGPFK-UHFFFAOYSA-N 1 1 326.404 0.781 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001267747161 838453979 /nfs/dbraw/zinc/45/39/79/838453979.db2.gz MBYOIHDZBIDOGI-HUUCEWRRSA-N 1 1 333.436 0.635 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001267747161 838453980 /nfs/dbraw/zinc/45/39/80/838453980.db2.gz MBYOIHDZBIDOGI-HUUCEWRRSA-N 1 1 333.436 0.635 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)noc2C)C1 ZINC001267754631 838477682 /nfs/dbraw/zinc/47/76/82/838477682.db2.gz NBMWBDRBXFUBGV-TZMCWYRMSA-N 1 1 334.420 0.715 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2c(C)noc2C)C1 ZINC001267754631 838477688 /nfs/dbraw/zinc/47/76/88/838477688.db2.gz NBMWBDRBXFUBGV-TZMCWYRMSA-N 1 1 334.420 0.715 20 30 ECEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001267758900 838484799 /nfs/dbraw/zinc/48/47/99/838484799.db2.gz SCMOQWFBKWXGAZ-HNNXBMFYSA-N 1 1 343.493 0.815 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001267761411 838488559 /nfs/dbraw/zinc/48/85/59/838488559.db2.gz HLZXAUJRFPJHHQ-AWEZNQCLSA-N 1 1 348.447 0.509 20 30 ECEDMO C=CCOCC(=O)N(C)[C@H]1CC[N@@H+](CCNC(=O)NC(C)(C)C)C1 ZINC001267760847 838489018 /nfs/dbraw/zinc/48/90/18/838489018.db2.gz XZKSKZLGZPETLV-AWEZNQCLSA-N 1 1 340.468 0.819 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)COCC2CCCC2)C1 ZINC001267767245 838503641 /nfs/dbraw/zinc/50/36/41/838503641.db2.gz NQUBRSZWJOLHAN-RDJZCZTQSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)COCC2CCCC2)C1 ZINC001267767245 838503647 /nfs/dbraw/zinc/50/36/47/838503647.db2.gz NQUBRSZWJOLHAN-RDJZCZTQSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C(F)F)C1 ZINC001267771904 838523449 /nfs/dbraw/zinc/52/34/49/838523449.db2.gz PIVGGXPZNKJMPY-VXGBXAGGSA-N 1 1 329.391 0.948 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C(F)F)C1 ZINC001267771904 838523452 /nfs/dbraw/zinc/52/34/52/838523452.db2.gz PIVGGXPZNKJMPY-VXGBXAGGSA-N 1 1 329.391 0.948 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001267776109 838539211 /nfs/dbraw/zinc/53/92/11/838539211.db2.gz DWUVNQBVOKTXCF-OAHLLOKOSA-N 1 1 346.431 0.790 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccn2CC)C1 ZINC001267778171 838545041 /nfs/dbraw/zinc/54/50/41/838545041.db2.gz WCJUFWJYAGIMLP-LSDHHAIUSA-N 1 1 330.432 0.792 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccn2CC)C1 ZINC001267778171 838545045 /nfs/dbraw/zinc/54/50/45/838545045.db2.gz WCJUFWJYAGIMLP-LSDHHAIUSA-N 1 1 330.432 0.792 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CCCOC)C1 ZINC001267779012 838547200 /nfs/dbraw/zinc/54/72/00/838547200.db2.gz LOEQGHPGPRLHIV-AWEZNQCLSA-N 1 1 340.468 0.819 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001267785501 838561559 /nfs/dbraw/zinc/56/15/59/838561559.db2.gz FFNRXRPYAFCIAF-OLZOCXBDSA-N 1 1 347.419 0.098 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001267785501 838561561 /nfs/dbraw/zinc/56/15/61/838561561.db2.gz FFNRXRPYAFCIAF-OLZOCXBDSA-N 1 1 347.419 0.098 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001267786878 838566559 /nfs/dbraw/zinc/56/65/59/838566559.db2.gz RAXMDFVUIISLAK-DOTOQJQBSA-N 1 1 345.443 0.846 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001267794931 838574543 /nfs/dbraw/zinc/57/45/43/838574543.db2.gz SOUMPTGCTKBBQG-HOCLYGCPSA-N 1 1 345.447 0.196 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001267794931 838574547 /nfs/dbraw/zinc/57/45/47/838574547.db2.gz SOUMPTGCTKBBQG-HOCLYGCPSA-N 1 1 345.447 0.196 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH2+]CC1(NC(=O)c2ncn[nH]2)CCCC1 ZINC001267843014 838641235 /nfs/dbraw/zinc/64/12/35/838641235.db2.gz DWSOWSDJEKMLQD-UHFFFAOYSA-N 1 1 348.451 0.862 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH2+]CC1(NC(=O)c2nc[nH]n2)CCCC1 ZINC001267843014 838641240 /nfs/dbraw/zinc/64/12/40/838641240.db2.gz DWSOWSDJEKMLQD-UHFFFAOYSA-N 1 1 348.451 0.862 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3cnn(C)c3)C2)nn1 ZINC001105183426 838726427 /nfs/dbraw/zinc/72/64/27/838726427.db2.gz PZYAUTNJOMLPSH-UHFFFAOYSA-N 1 1 329.408 0.303 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001267942515 838830563 /nfs/dbraw/zinc/83/05/63/838830563.db2.gz HVPKZZDNMXVMRE-CQSZACIVSA-N 1 1 332.404 0.257 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001267942515 838830572 /nfs/dbraw/zinc/83/05/72/838830572.db2.gz HVPKZZDNMXVMRE-CQSZACIVSA-N 1 1 332.404 0.257 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC2(CC[N@@H+](CC(=O)NCC=C)C2)CC1 ZINC001267973067 838906493 /nfs/dbraw/zinc/90/64/93/838906493.db2.gz BYUPCZPJUBEJPU-INIZCTEOSA-N 1 1 347.459 0.641 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001268024036 839011472 /nfs/dbraw/zinc/01/14/72/839011472.db2.gz VVEOFNACDOFKGM-DZGCQCFKSA-N 1 1 344.419 0.910 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)c1cnc(C)cn1)CC2 ZINC001268041735 839184207 /nfs/dbraw/zinc/18/42/07/839184207.db2.gz DVKKJUNEGBJVBI-UHFFFAOYSA-N 1 1 328.416 0.973 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCOC1)CC2 ZINC001268043675 839195312 /nfs/dbraw/zinc/19/53/12/839195312.db2.gz LRBRNTKEGNURBW-INIZCTEOSA-N 1 1 347.459 0.477 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000131446935 282395571 /nfs/dbraw/zinc/39/55/71/282395571.db2.gz LNKKJJAFDIMLDI-OAHLLOKOSA-N 1 1 336.436 0.462 20 30 ECEDMO N#Cc1ncn(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000425949032 210125608 /nfs/dbraw/zinc/12/56/08/210125608.db2.gz FYENRZFCNCRQNU-UHFFFAOYSA-N 1 1 349.398 0.756 20 30 ECEDMO N#Cc1ncn(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000425949032 210125610 /nfs/dbraw/zinc/12/56/10/210125610.db2.gz FYENRZFCNCRQNU-UHFFFAOYSA-N 1 1 349.398 0.756 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC001077912552 781932786 /nfs/dbraw/zinc/93/27/86/781932786.db2.gz FLNPGILEZLGYID-HZPDHXFCSA-N 1 1 329.400 0.811 20 30 ECEDMO Cc1nonc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077918828 781940578 /nfs/dbraw/zinc/94/05/78/781940578.db2.gz GUSTZTDBJAWCKB-HZPDHXFCSA-N 1 1 341.371 0.154 20 30 ECEDMO Cc1nonc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077918828 781940585 /nfs/dbraw/zinc/94/05/85/781940585.db2.gz GUSTZTDBJAWCKB-HZPDHXFCSA-N 1 1 341.371 0.154 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)NCCC[N@H+](C)CCOC)c1 ZINC000264575159 201212961 /nfs/dbraw/zinc/21/29/61/201212961.db2.gz WLZAOKQEJUMKDB-UHFFFAOYSA-N 1 1 347.415 0.722 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000267389421 201223646 /nfs/dbraw/zinc/22/36/46/201223646.db2.gz OKGPOWBARMAHMD-KGLIPLIRSA-N 1 1 349.435 0.423 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000267389421 201223649 /nfs/dbraw/zinc/22/36/49/201223649.db2.gz OKGPOWBARMAHMD-KGLIPLIRSA-N 1 1 349.435 0.423 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC1 ZINC000272005834 201247401 /nfs/dbraw/zinc/24/74/01/201247401.db2.gz JCLVUXNUVVGDOA-GOSISDBHSA-N 1 1 342.443 0.231 20 30 ECEDMO COCC[N@H+]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000268530617 201226859 /nfs/dbraw/zinc/22/68/59/201226859.db2.gz IGBONCIZZLYCLD-UHFFFAOYSA-N 1 1 330.384 0.948 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000273228142 201255634 /nfs/dbraw/zinc/25/56/34/201255634.db2.gz CZSUXOIRSDEUMA-UONOGXRCSA-N 1 1 326.441 0.165 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccnnc3C)C2)C1=O ZINC000971869273 735281728 /nfs/dbraw/zinc/28/17/28/735281728.db2.gz KWNUMEYQYYNDOA-GOEBONIOSA-N 1 1 343.431 0.718 20 30 ECEDMO CC[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000107892460 204249895 /nfs/dbraw/zinc/24/98/95/204249895.db2.gz DHMWSTLJLKQUFH-MRXNPFEDSA-N 1 1 349.456 0.931 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2cccc(C#N)c2)CC1 ZINC000531151182 269692198 /nfs/dbraw/zinc/69/21/98/269692198.db2.gz NGRPMAMFLQPYPR-QGZVFWFLSA-N 1 1 340.427 0.866 20 30 ECEDMO COCCCS(=O)(=O)NCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000175046097 207088279 /nfs/dbraw/zinc/08/82/79/207088279.db2.gz QGSKAZAXLFWMOH-UHFFFAOYSA-N 1 1 325.434 0.946 20 30 ECEDMO COCCCS(=O)(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000175046097 207088282 /nfs/dbraw/zinc/08/82/82/207088282.db2.gz QGSKAZAXLFWMOH-UHFFFAOYSA-N 1 1 325.434 0.946 20 30 ECEDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268708565 252159692 /nfs/dbraw/zinc/15/96/92/252159692.db2.gz XBATWCWWZCINPJ-GDBMZVCRSA-N 1 1 337.445 0.853 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175990514 207672450 /nfs/dbraw/zinc/67/24/50/207672450.db2.gz RKOJFIVNYXHGHO-AWEZNQCLSA-N 1 1 348.378 0.863 20 30 ECEDMO [NH2+]=C(NC[C@@H]1CN2CCN1CC2)Nc1ccc2c(c1)OCCCO2 ZINC000262748652 254510316 /nfs/dbraw/zinc/51/03/16/254510316.db2.gz BCSGJIOPNPDXSK-CQSZACIVSA-N 1 1 331.420 0.574 20 30 ECEDMO N#C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000329017384 254595856 /nfs/dbraw/zinc/59/58/56/254595856.db2.gz RAWSVJNBKSEAIN-GJZGRUSLSA-N 1 1 334.420 0.958 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000491659207 254925889 /nfs/dbraw/zinc/92/58/89/254925889.db2.gz WZGGEXLDBXEMIT-MRXNPFEDSA-N 1 1 328.416 0.824 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000329759142 285319583 /nfs/dbraw/zinc/31/95/83/285319583.db2.gz OMRGOUIEAYYXAS-QZWWFDLISA-N 1 1 338.496 0.877 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3cn(C)nn3)C2)C1 ZINC001041696337 782013099 /nfs/dbraw/zinc/01/30/99/782013099.db2.gz OHPBHYQAGFUBRA-RYRKJORJSA-N 1 1 345.447 0.831 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3cn(C)nn3)C2)C1 ZINC001041696337 782013111 /nfs/dbraw/zinc/01/31/11/782013111.db2.gz OHPBHYQAGFUBRA-RYRKJORJSA-N 1 1 345.447 0.831 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@@H+]1C[C@@H](C)O ZINC000330423347 287204158 /nfs/dbraw/zinc/20/41/58/287204158.db2.gz SZBBHVLTTWYRJF-MGPQQGTHSA-N 1 1 332.470 0.242 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@H+]1C[C@@H](C)O ZINC000330423347 287204159 /nfs/dbraw/zinc/20/41/59/287204159.db2.gz SZBBHVLTTWYRJF-MGPQQGTHSA-N 1 1 332.470 0.242 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC001041703209 782021108 /nfs/dbraw/zinc/02/11/08/782021108.db2.gz DLEWTELDPSQYHH-MAUKXSAKSA-N 1 1 342.447 0.573 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000122202694 222036136 /nfs/dbraw/zinc/03/61/36/222036136.db2.gz BXGVERNMJODPKX-AWEZNQCLSA-N 1 1 343.431 0.496 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)n1 ZINC000601178497 420575456 /nfs/dbraw/zinc/57/54/56/420575456.db2.gz SXKAENNZENBWOG-AWEZNQCLSA-N 1 1 346.435 0.502 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 ZINC000540971821 420624523 /nfs/dbraw/zinc/62/45/23/420624523.db2.gz OTBZFTVTRNBCGA-LBPRGKRZSA-N 1 1 349.439 0.158 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@]1(F)CCOC1 ZINC001077965809 782031933 /nfs/dbraw/zinc/03/19/33/782031933.db2.gz JPJNGJYVDCZONL-GRDNDAEWSA-N 1 1 339.411 0.224 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@]1(F)CCOC1 ZINC001077965809 782031939 /nfs/dbraw/zinc/03/19/39/782031939.db2.gz JPJNGJYVDCZONL-GRDNDAEWSA-N 1 1 339.411 0.224 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000193531895 263167139 /nfs/dbraw/zinc/16/71/39/263167139.db2.gz UGRCCCKSQUNLDJ-UHFFFAOYSA-N 1 1 328.416 0.771 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2csc(COC)n2)C1 ZINC001077968012 782037891 /nfs/dbraw/zinc/03/78/91/782037891.db2.gz DLYFSNWKHXVKHR-ZIAGYGMSSA-N 1 1 339.461 0.960 20 30 ECEDMO CCC[C@@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[N@H+]1CCOC ZINC000336991712 266068897 /nfs/dbraw/zinc/06/88/97/266068897.db2.gz LLRZVDKCSVWIJR-UONOGXRCSA-N 1 1 334.424 0.670 20 30 ECEDMO CC[N@@H+](CCOC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000353442708 266128519 /nfs/dbraw/zinc/12/85/19/266128519.db2.gz QFWMDUYNDZETNZ-UHFFFAOYSA-N 1 1 335.408 0.472 20 30 ECEDMO CCN1C(=O)[C@H]2C[N@@H+](C[C@H](O)c3ccc(C#N)cc3)CCN2C1=O ZINC000363826577 266143090 /nfs/dbraw/zinc/14/30/90/266143090.db2.gz VYSBJBWTONNSNE-CABCVRRESA-N 1 1 328.372 0.560 20 30 ECEDMO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1O ZINC000341012011 266378340 /nfs/dbraw/zinc/37/83/40/266378340.db2.gz OITJYJXOQMMORC-UKRRQHHQSA-N 1 1 347.419 0.206 20 30 ECEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCn2cnc(C#N)n2)C1 ZINC000286890358 267014148 /nfs/dbraw/zinc/01/41/48/267014148.db2.gz NMZGZMAHLANHHK-CYBMUJFWSA-N 1 1 333.440 0.959 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000340959462 267282235 /nfs/dbraw/zinc/28/22/35/267282235.db2.gz QJRJKIRFBGVEAH-HNNXBMFYSA-N 1 1 342.399 0.785 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000340959462 267282237 /nfs/dbraw/zinc/28/22/37/267282237.db2.gz QJRJKIRFBGVEAH-HNNXBMFYSA-N 1 1 342.399 0.785 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000340959463 267282614 /nfs/dbraw/zinc/28/26/14/267282614.db2.gz QJRJKIRFBGVEAH-OAHLLOKOSA-N 1 1 342.399 0.785 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000340959463 267282617 /nfs/dbraw/zinc/28/26/17/267282617.db2.gz QJRJKIRFBGVEAH-OAHLLOKOSA-N 1 1 342.399 0.785 20 30 ECEDMO CN(C)c1nc(N2CCN(C(=O)c3ccc(C#N)cn3)CC2)cc[nH+]1 ZINC000525494961 267296118 /nfs/dbraw/zinc/29/61/18/267296118.db2.gz XEMGMBPCJAAKOY-UHFFFAOYSA-N 1 1 337.387 0.772 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000368908721 268031178 /nfs/dbraw/zinc/03/11/78/268031178.db2.gz DBCUXHDOBVEHRI-HOTGVXAUSA-N 1 1 342.399 0.267 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1 ZINC000364078239 268177950 /nfs/dbraw/zinc/17/79/50/268177950.db2.gz XIGOBAQQOAUETB-WMLDXEAASA-N 1 1 331.372 0.872 20 30 ECEDMO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000367718776 268209171 /nfs/dbraw/zinc/20/91/71/268209171.db2.gz ZWGPXTUDLXHVCJ-QWHCGFSZSA-N 1 1 336.417 0.481 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000368975378 268251757 /nfs/dbraw/zinc/25/17/57/268251757.db2.gz VIPATMIGRRPTBM-ZOBUZTSGSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000368975378 268251761 /nfs/dbraw/zinc/25/17/61/268251761.db2.gz VIPATMIGRRPTBM-ZOBUZTSGSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1cccc(F)c1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000352230415 268257699 /nfs/dbraw/zinc/25/76/99/268257699.db2.gz JYOWYJQFKZAHHS-HNNXBMFYSA-N 1 1 332.379 0.696 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000528546446 268300922 /nfs/dbraw/zinc/30/09/22/268300922.db2.gz CVECVIFMFNNDER-GDBMZVCRSA-N 1 1 327.388 0.912 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000528475550 268301204 /nfs/dbraw/zinc/30/12/04/268301204.db2.gz KPJKKLAWDHUOTD-OAHLLOKOSA-N 1 1 327.388 0.843 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000528455723 268302679 /nfs/dbraw/zinc/30/26/79/268302679.db2.gz JXVUTPYKYIJMRN-CQSZACIVSA-N 1 1 326.356 0.852 20 30 ECEDMO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH2+][C@@H](C(N)=O)C1 ZINC000376088709 274930042 /nfs/dbraw/zinc/93/00/42/274930042.db2.gz MQZUOZBDZDOFNT-SNVBAGLBSA-N 1 1 335.289 0.787 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000328846355 277557090 /nfs/dbraw/zinc/55/70/90/277557090.db2.gz AKNTUIMLWYNQRF-VIFPVBQESA-N 1 1 337.380 0.628 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C(=O)N1CCOCC1 ZINC000328989506 278132161 /nfs/dbraw/zinc/13/21/61/278132161.db2.gz UZEJZCGDONSCGA-DZGCQCFKSA-N 1 1 339.436 0.834 20 30 ECEDMO CC(C)(C)N1C[C@@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1=O ZINC000330108194 278346986 /nfs/dbraw/zinc/34/69/86/278346986.db2.gz NGTNMUOLRXCEHT-GUYCJALGSA-N 1 1 341.452 0.673 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCOC[C@H]1c1ncnn1C ZINC000328879121 288114216 /nfs/dbraw/zinc/11/42/16/288114216.db2.gz LGVQWLCHGMLZGR-XBFCOCLRSA-N 1 1 334.424 0.585 20 30 ECEDMO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CCc4ncnn4C3)C2)CC1 ZINC000329460908 279366207 /nfs/dbraw/zinc/36/62/07/279366207.db2.gz SEPKGTZCXMPIIU-LSDHHAIUSA-N 1 1 347.467 0.219 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](COC)C2)CC1 ZINC000330758593 437607944 /nfs/dbraw/zinc/60/79/44/437607944.db2.gz JKXGPYZKQJXKML-ZDUSSCGKSA-N 1 1 326.441 0.469 20 30 ECEDMO COC(=O)c1cn(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)nn1 ZINC000330759437 437608531 /nfs/dbraw/zinc/60/85/31/437608531.db2.gz KIOINYLZIZRAQK-ZDUSSCGKSA-N 1 1 338.412 0.251 20 30 ECEDMO COC(=O)c1cn(CCNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)nn1 ZINC000330765119 437610737 /nfs/dbraw/zinc/61/07/37/437610737.db2.gz SPOFVWMLAZVIFG-DGCLKSJQSA-N 1 1 338.412 0.251 20 30 ECEDMO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)N(C)CCC#N ZINC000330495624 289133697 /nfs/dbraw/zinc/13/36/97/289133697.db2.gz WTMMXDPGGKPAEB-UHFFFAOYSA-N 1 1 331.486 0.034 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000081645105 436352116 /nfs/dbraw/zinc/35/21/16/436352116.db2.gz HIVKCKOXJZJCCE-UHFFFAOYSA-N 1 1 343.427 0.667 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000081645105 436352121 /nfs/dbraw/zinc/35/21/21/436352121.db2.gz HIVKCKOXJZJCCE-UHFFFAOYSA-N 1 1 343.427 0.667 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000086461299 436394632 /nfs/dbraw/zinc/39/46/32/436394632.db2.gz IMGQRZAKOMXZBT-ZDUSSCGKSA-N 1 1 332.408 0.726 20 30 ECEDMO C[NH+]1CCN(C(=O)CN2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000093193699 436482839 /nfs/dbraw/zinc/48/28/39/436482839.db2.gz LGZMZJWRXUJBFW-GOSISDBHSA-N 1 1 341.459 0.643 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000105567574 436577169 /nfs/dbraw/zinc/57/71/69/436577169.db2.gz UVVDPIFPGIRNRO-ZDUSSCGKSA-N 1 1 335.429 0.280 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105867524 436583655 /nfs/dbraw/zinc/58/36/55/436583655.db2.gz LQMCSOUPVVLFJJ-ZDUSSCGKSA-N 1 1 331.420 0.593 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105867524 436583657 /nfs/dbraw/zinc/58/36/57/436583657.db2.gz LQMCSOUPVVLFJJ-ZDUSSCGKSA-N 1 1 331.420 0.593 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000106341158 436591950 /nfs/dbraw/zinc/59/19/50/436591950.db2.gz CTSNUAWSGFCUNK-AWEZNQCLSA-N 1 1 329.466 0.855 20 30 ECEDMO CC(C)C(=O)NC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000108813198 436620323 /nfs/dbraw/zinc/62/03/23/436620323.db2.gz OATNCNRENULEEI-UHFFFAOYSA-N 1 1 333.436 0.879 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)CCCC#N ZINC000111336946 436630035 /nfs/dbraw/zinc/63/00/35/436630035.db2.gz APISIFVFMAODJO-CYBMUJFWSA-N 1 1 330.454 0.152 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)CCCC#N ZINC000111336946 436630038 /nfs/dbraw/zinc/63/00/38/436630038.db2.gz APISIFVFMAODJO-CYBMUJFWSA-N 1 1 330.454 0.152 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)CCCC#N ZINC000111336944 436630452 /nfs/dbraw/zinc/63/04/52/436630452.db2.gz APISIFVFMAODJO-ZDUSSCGKSA-N 1 1 330.454 0.152 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)CCCC#N ZINC000111336944 436630455 /nfs/dbraw/zinc/63/04/55/436630455.db2.gz APISIFVFMAODJO-ZDUSSCGKSA-N 1 1 330.454 0.152 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000111341752 436630831 /nfs/dbraw/zinc/63/08/31/436630831.db2.gz HKERYTZTTNRYQX-OAHLLOKOSA-N 1 1 328.482 0.722 20 30 ECEDMO C#CC[N@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)C1CCCCC1 ZINC000065960168 436676263 /nfs/dbraw/zinc/67/62/63/436676263.db2.gz MBHJCRQNLGYVFC-UHFFFAOYSA-N 1 1 348.491 0.487 20 30 ECEDMO N#Cc1cccnc1N1CCC[N@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000066437845 436685186 /nfs/dbraw/zinc/68/51/86/436685186.db2.gz YARDIBDRPRJQGT-UHFFFAOYSA-N 1 1 342.403 0.407 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121692801 436723030 /nfs/dbraw/zinc/72/30/30/436723030.db2.gz SWAYEODVEQZMAA-UHFFFAOYSA-N 1 1 331.482 0.767 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000153278072 436752973 /nfs/dbraw/zinc/75/29/73/436752973.db2.gz WXIKSZPWGZMAEE-INIZCTEOSA-N 1 1 329.408 0.536 20 30 ECEDMO CCS(=O)(=O)NCC[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000068816330 436754357 /nfs/dbraw/zinc/75/43/57/436754357.db2.gz LXSBWBKBZMJQEE-UHFFFAOYSA-N 1 1 325.434 0.946 20 30 ECEDMO CCS(=O)(=O)NCC[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000068816330 436754361 /nfs/dbraw/zinc/75/43/61/436754361.db2.gz LXSBWBKBZMJQEE-UHFFFAOYSA-N 1 1 325.434 0.946 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000245390661 436761098 /nfs/dbraw/zinc/76/10/98/436761098.db2.gz MSSDGLKPMCWGAW-ZIAGYGMSSA-N 1 1 338.452 0.871 20 30 ECEDMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000153784485 436763874 /nfs/dbraw/zinc/76/38/74/436763874.db2.gz SKQVIDHHKXFEMV-LBPRGKRZSA-N 1 1 346.435 0.906 20 30 ECEDMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156722289 436818859 /nfs/dbraw/zinc/81/88/59/436818859.db2.gz LAODWYOOPAPKKW-OCCSQVGLSA-N 1 1 335.429 0.918 20 30 ECEDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156722289 436818862 /nfs/dbraw/zinc/81/88/62/436818862.db2.gz LAODWYOOPAPKKW-OCCSQVGLSA-N 1 1 335.429 0.918 20 30 ECEDMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156722649 436819508 /nfs/dbraw/zinc/81/95/08/436819508.db2.gz LAODWYOOPAPKKW-GXTWGEPZSA-N 1 1 335.429 0.918 20 30 ECEDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156722649 436819510 /nfs/dbraw/zinc/81/95/10/436819510.db2.gz LAODWYOOPAPKKW-GXTWGEPZSA-N 1 1 335.429 0.918 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)[NH+]1CCSCC1 ZINC000131611855 436855124 /nfs/dbraw/zinc/85/51/24/436855124.db2.gz GVBLHQIMSGSBCQ-HNNXBMFYSA-N 1 1 340.493 0.498 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000293244111 436859753 /nfs/dbraw/zinc/85/97/53/436859753.db2.gz CZRYWTCQSCWJFJ-UHFFFAOYSA-N 1 1 331.372 0.468 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1CCOC ZINC000293328196 436866099 /nfs/dbraw/zinc/86/60/99/436866099.db2.gz JGYUUGNQHFKNSG-UHFFFAOYSA-N 1 1 331.416 0.885 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000157762675 436833978 /nfs/dbraw/zinc/83/39/78/436833978.db2.gz RTSOCCMEEOXYIN-QGZVFWFLSA-N 1 1 328.460 0.878 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000157762675 436833980 /nfs/dbraw/zinc/83/39/80/436833980.db2.gz RTSOCCMEEOXYIN-QGZVFWFLSA-N 1 1 328.460 0.878 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000157762675 436833984 /nfs/dbraw/zinc/83/39/84/436833984.db2.gz RTSOCCMEEOXYIN-QGZVFWFLSA-N 1 1 328.460 0.878 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000293870773 436914681 /nfs/dbraw/zinc/91/46/81/436914681.db2.gz SPEPKLCHWUJXEG-UHFFFAOYSA-N 1 1 341.389 0.837 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000293901218 436917924 /nfs/dbraw/zinc/91/79/24/436917924.db2.gz FEWQIDBADLKUQG-RRFJBIMHSA-N 1 1 333.432 0.621 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293934521 436920615 /nfs/dbraw/zinc/92/06/15/436920615.db2.gz ZDDWLYUXPMYDEO-UHFFFAOYSA-N 1 1 338.355 0.672 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC)cc1OC ZINC000293455462 436878994 /nfs/dbraw/zinc/87/89/94/436878994.db2.gz SVWQTDCGPXTXIX-UHFFFAOYSA-N 1 1 333.388 0.714 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccnc1OC(C)C ZINC000293481664 436881384 /nfs/dbraw/zinc/88/13/84/436881384.db2.gz VPFYEAIUFKNWMJ-UHFFFAOYSA-N 1 1 332.404 0.879 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000293637160 436895020 /nfs/dbraw/zinc/89/50/20/436895020.db2.gz HWEFURFFYCILCT-GFCCVEGCSA-N 1 1 341.337 0.948 20 30 ECEDMO C=CCN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000293758108 436906830 /nfs/dbraw/zinc/90/68/30/436906830.db2.gz MSMLFWAMZFUJNN-INIZCTEOSA-N 1 1 348.447 0.628 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000294924453 436962226 /nfs/dbraw/zinc/96/22/26/436962226.db2.gz HALTYINCMTZSII-UHFFFAOYSA-N 1 1 346.435 0.234 20 30 ECEDMO CN(CCCN(C)C(=O)C(=O)Nc1ccc(C#N)cn1)CC[NH+](C)C ZINC000294924453 436962229 /nfs/dbraw/zinc/96/22/29/436962229.db2.gz HALTYINCMTZSII-UHFFFAOYSA-N 1 1 346.435 0.234 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295552791 436972539 /nfs/dbraw/zinc/97/25/39/436972539.db2.gz TULMURISPJZHIN-OAHLLOKOSA-N 1 1 347.415 0.909 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000295885616 436980202 /nfs/dbraw/zinc/98/02/02/436980202.db2.gz PTHRMMPCUFZFGD-JKSUJKDBSA-N 1 1 330.432 0.747 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)NCC)cc1 ZINC000294044197 436929888 /nfs/dbraw/zinc/92/98/88/436929888.db2.gz SUBSDIUZWRJWHG-UHFFFAOYSA-N 1 1 337.445 0.670 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000170649736 436947969 /nfs/dbraw/zinc/94/79/69/436947969.db2.gz CBDYFECRRGLMBP-INIZCTEOSA-N 1 1 339.399 0.910 20 30 ECEDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000296266463 436987688 /nfs/dbraw/zinc/98/76/88/436987688.db2.gz SUYLMPLPCHYUTO-ZDUSSCGKSA-N 1 1 346.435 0.986 20 30 ECEDMO N#CCCCCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000171731357 436988502 /nfs/dbraw/zinc/98/85/02/436988502.db2.gz JDYKVKUVDCVSAE-UHFFFAOYSA-N 1 1 345.451 0.982 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)Nc2ccn(CCC#N)n2)CC1(C)C ZINC000282128642 437011657 /nfs/dbraw/zinc/01/16/57/437011657.db2.gz GUWNXSMFSJTWCI-UHFFFAOYSA-N 1 1 333.440 0.944 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000264620792 437053990 /nfs/dbraw/zinc/05/39/90/437053990.db2.gz RKYGNQZEUPSXIJ-CQSZACIVSA-N 1 1 336.417 0.176 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000264620792 437053994 /nfs/dbraw/zinc/05/39/94/437053994.db2.gz RKYGNQZEUPSXIJ-CQSZACIVSA-N 1 1 336.417 0.176 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cc2c(C)nc3nc(N)nn3c2C)CC1 ZINC000299297865 437067614 /nfs/dbraw/zinc/06/76/14/437067614.db2.gz FADQGMPAYIMWOD-UHFFFAOYSA-N 1 1 341.419 0.033 20 30 ECEDMO CN1C(=O)N[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000285941639 437085879 /nfs/dbraw/zinc/08/58/79/437085879.db2.gz MHVQZSVJLCTLJX-CABCVRRESA-N 1 1 327.388 0.985 20 30 ECEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000302961074 437155170 /nfs/dbraw/zinc/15/51/70/437155170.db2.gz LIRQVVJKAAANDD-MOPGFXCFSA-N 1 1 344.459 0.562 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276488351 437116044 /nfs/dbraw/zinc/11/60/44/437116044.db2.gz UQZFURBFXYBAPH-CXAGYDPISA-N 1 1 330.388 0.244 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276488351 437116047 /nfs/dbraw/zinc/11/60/47/437116047.db2.gz UQZFURBFXYBAPH-CXAGYDPISA-N 1 1 330.388 0.244 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nc1 ZINC000301271963 437117646 /nfs/dbraw/zinc/11/76/46/437117646.db2.gz HUHCPFCQKYDXFD-QGZVFWFLSA-N 1 1 341.459 0.661 20 30 ECEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000177908440 437200188 /nfs/dbraw/zinc/20/01/88/437200188.db2.gz WGRABJDPOXPOIK-HNNXBMFYSA-N 1 1 330.388 0.412 20 30 ECEDMO C[N@@H+](CCNC(=O)CCNC(=O)C1N=CC=CC1=O)C1CCCC1 ZINC000265846090 437200776 /nfs/dbraw/zinc/20/07/76/437200776.db2.gz SYFKVTBHFUBVHY-MSUUIHNZSA-N 1 1 334.420 0.894 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000266647368 437226170 /nfs/dbraw/zinc/22/61/70/437226170.db2.gz MPGPJEAQWHJKRT-AWEZNQCLSA-N 1 1 346.387 0.364 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2C)C1 ZINC000266682183 437228669 /nfs/dbraw/zinc/22/86/69/437228669.db2.gz UBJNQDWRRMWZFT-AWEZNQCLSA-N 1 1 330.388 0.642 20 30 ECEDMO O=C(NCC[N@H+]1CCCOCC1)Nc1ccc(N2CCOCC2)nc1 ZINC000328601177 437238354 /nfs/dbraw/zinc/23/83/54/437238354.db2.gz FASGFCGWEZUCGB-UHFFFAOYSA-N 1 1 349.435 0.966 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000336919589 437310570 /nfs/dbraw/zinc/31/05/70/437310570.db2.gz QEMFBKXKRCOBQH-SOUVJXGZSA-N 1 1 346.497 0.802 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000336919589 437310571 /nfs/dbraw/zinc/31/05/71/437310571.db2.gz QEMFBKXKRCOBQH-SOUVJXGZSA-N 1 1 346.497 0.802 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C ZINC000329067953 437311782 /nfs/dbraw/zinc/31/17/82/437311782.db2.gz XIDSHGBJOVIDGH-VNHYZAJKSA-N 1 1 348.451 0.854 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000336925439 437312439 /nfs/dbraw/zinc/31/24/39/437312439.db2.gz WHKZFPHKAGWBFT-CQSZACIVSA-N 1 1 345.513 0.280 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000336925439 437312442 /nfs/dbraw/zinc/31/24/42/437312442.db2.gz WHKZFPHKAGWBFT-CQSZACIVSA-N 1 1 345.513 0.280 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000336924401 437312629 /nfs/dbraw/zinc/31/26/29/437312629.db2.gz UAGMFXBPNSGHKZ-CYBMUJFWSA-N 1 1 330.454 0.167 20 30 ECEDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)N(CCC#N)CCOC)C1 ZINC000336940685 437315089 /nfs/dbraw/zinc/31/50/89/437315089.db2.gz JEYSOIUMNZLSCI-CQSZACIVSA-N 1 1 332.470 0.415 20 30 ECEDMO CN1CCN(C(=O)CCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000329083172 437315918 /nfs/dbraw/zinc/31/59/18/437315918.db2.gz SLPJEMSCOYQHHV-CYBMUJFWSA-N 1 1 328.482 0.544 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000328854493 437273679 /nfs/dbraw/zinc/27/36/79/437273679.db2.gz XMHAAOSBTJFJLP-CQSZACIVSA-N 1 1 337.468 0.233 20 30 ECEDMO Cn1nccc1[C@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC(=O)N1C ZINC000328877113 437275900 /nfs/dbraw/zinc/27/59/00/437275900.db2.gz IJCSYCMMDSQVIT-XJKCOSOUSA-N 1 1 348.451 0.142 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000334009860 437293110 /nfs/dbraw/zinc/29/31/10/437293110.db2.gz BYNGNKYOFJRTLE-CFAJVAMVSA-N 1 1 339.436 0.639 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC(=O)N(C(C)C)C2)[N@@H+](C)C1 ZINC000328969730 437294137 /nfs/dbraw/zinc/29/41/37/437294137.db2.gz AWFYEUAKWJROCR-IHRRRGAJSA-N 1 1 326.441 0.561 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCCS2(=O)=O)[N@H+](C)C1 ZINC000328998790 437300741 /nfs/dbraw/zinc/30/07/41/437300741.db2.gz HDCOWMZFNRBUCZ-RWMBFGLXSA-N 1 1 333.454 0.129 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCCS2(=O)=O)[N@@H+](C)C1 ZINC000328998790 437300747 /nfs/dbraw/zinc/30/07/47/437300747.db2.gz HDCOWMZFNRBUCZ-RWMBFGLXSA-N 1 1 333.454 0.129 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000337196952 437340357 /nfs/dbraw/zinc/34/03/57/437340357.db2.gz WRZKYHCBDXWJRG-GJZGRUSLSA-N 1 1 346.497 0.803 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000329253753 437341271 /nfs/dbraw/zinc/34/12/71/437341271.db2.gz ZJPGAZJACAZLFY-JTQLQIEISA-N 1 1 326.470 1.407 20 30 ECEDMO C[C@H](C[NH+]1CCCCC1)NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000329286592 437346975 /nfs/dbraw/zinc/34/69/75/437346975.db2.gz GYGSNYVGVWFEPF-KGLIPLIRSA-N 1 1 331.482 0.936 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182584369 437356203 /nfs/dbraw/zinc/35/62/03/437356203.db2.gz UJQQBQAWQBLZOQ-XYPWUTKMSA-N 1 1 349.479 0.241 20 30 ECEDMO CCN(CCC#N)C(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182624631 437357178 /nfs/dbraw/zinc/35/71/78/437357178.db2.gz DRTMUZMYXPLRIK-JWTNVVGKSA-N 1 1 347.507 0.991 20 30 ECEDMO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329389204 437361627 /nfs/dbraw/zinc/36/16/27/437361627.db2.gz RSQVBZMKBVHNMY-CBBWQLFWSA-N 1 1 334.424 0.691 20 30 ECEDMO C[N@H+]1CCCN(C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)CC1 ZINC000329388388 437361744 /nfs/dbraw/zinc/36/17/44/437361744.db2.gz RITQJRGLLHSNTI-LBPRGKRZSA-N 1 1 334.424 0.880 20 30 ECEDMO C=CC[C@H](CO)NC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000182947827 437369594 /nfs/dbraw/zinc/36/95/94/437369594.db2.gz FBGAABCGQHWHDE-CQSZACIVSA-N 1 1 326.441 0.213 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC[N@@H+](C)C1CCCC1 ZINC000337058260 437323730 /nfs/dbraw/zinc/32/37/30/437323730.db2.gz DVVZMHNBKRRSFK-UHFFFAOYSA-N 1 1 332.470 0.557 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000329156189 437327022 /nfs/dbraw/zinc/32/70/22/437327022.db2.gz BAPKCWJHAPNRKM-NSHDSACASA-N 1 1 338.374 0.535 20 30 ECEDMO C=CCNC(=O)CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000181717245 437328351 /nfs/dbraw/zinc/32/83/51/437328351.db2.gz LFFPLHPJPFQCAE-UHFFFAOYSA-N 1 1 330.432 0.466 20 30 ECEDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)N(CCC#N)CCOC)C1 ZINC000337084827 437329858 /nfs/dbraw/zinc/32/98/58/437329858.db2.gz CXXIIIPGYUEZQB-HNNXBMFYSA-N 1 1 346.497 0.757 20 30 ECEDMO Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCC(=O)N1C ZINC000329189673 437331996 /nfs/dbraw/zinc/33/19/96/437331996.db2.gz PUSTVBZRNKRZID-UXIGCNINSA-N 1 1 335.408 0.369 20 30 ECEDMO Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCC(=O)N1C ZINC000329189673 437331999 /nfs/dbraw/zinc/33/19/99/437331999.db2.gz PUSTVBZRNKRZID-UXIGCNINSA-N 1 1 335.408 0.369 20 30 ECEDMO CCN(C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000329208137 437335854 /nfs/dbraw/zinc/33/58/54/437335854.db2.gz BNTYYJABTMHFHU-IACUBPJLSA-N 1 1 329.466 0.892 20 30 ECEDMO CCN(C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000329208137 437335858 /nfs/dbraw/zinc/33/58/58/437335858.db2.gz BNTYYJABTMHFHU-IACUBPJLSA-N 1 1 329.466 0.892 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000337150929 437336430 /nfs/dbraw/zinc/33/64/30/437336430.db2.gz JKAXADDGNLNANO-ZDUSSCGKSA-N 1 1 332.470 0.244 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000337150929 437336433 /nfs/dbraw/zinc/33/64/33/437336433.db2.gz JKAXADDGNLNANO-ZDUSSCGKSA-N 1 1 332.470 0.244 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000182090444 437337625 /nfs/dbraw/zinc/33/76/25/437337625.db2.gz FNQXMWJNISVHHO-GUYCJALGSA-N 1 1 336.436 0.364 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000182090444 437337628 /nfs/dbraw/zinc/33/76/28/437337628.db2.gz FNQXMWJNISVHHO-GUYCJALGSA-N 1 1 336.436 0.364 20 30 ECEDMO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000329239772 437338729 /nfs/dbraw/zinc/33/87/29/437338729.db2.gz MFFMORZJIPVYAP-SOUVJXGZSA-N 1 1 339.436 0.691 20 30 ECEDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000337197388 437339905 /nfs/dbraw/zinc/33/99/05/437339905.db2.gz XBJMQSPLVNWNCJ-ZDUSSCGKSA-N 1 1 330.454 0.167 20 30 ECEDMO COCc1nc2n(n1)C[C@@H]([NH+]=C([O-])NC1CC[NH+](C3CC3)CC1)CC2 ZINC000329806589 437416623 /nfs/dbraw/zinc/41/66/23/437416623.db2.gz OANADZBGYUZXAR-ZDUSSCGKSA-N 1 1 348.451 0.870 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000329820123 437418214 /nfs/dbraw/zinc/41/82/14/437418214.db2.gz YEWBFYWXPXYTRI-WZRBSPASSA-N 1 1 330.454 0.007 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000337766100 437378426 /nfs/dbraw/zinc/37/84/26/437378426.db2.gz MSSPLMPJAVBILQ-KBPBESRZSA-N 1 1 344.481 0.650 20 30 ECEDMO CC(C)N1CCN(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1=O ZINC000329657845 437396372 /nfs/dbraw/zinc/39/63/72/437396372.db2.gz NJARIEPNXFNNPH-HNNXBMFYSA-N 1 1 339.484 0.479 20 30 ECEDMO Cn1nc(C(=O)NCCN2CC[NH+](C)CC2)c(=O)c2ccccc21 ZINC000329661882 437398999 /nfs/dbraw/zinc/39/89/99/437398999.db2.gz PEADYRFPDSSSBE-UHFFFAOYSA-N 1 1 329.404 0.486 20 30 ECEDMO C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1ncnn1C ZINC000330208123 437469509 /nfs/dbraw/zinc/46/95/09/437469509.db2.gz AUWQFQLHSHPALS-STQMWFEESA-N 1 1 336.440 0.975 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000290210530 437470371 /nfs/dbraw/zinc/47/03/71/437470371.db2.gz SBPVWOGNFHJBLM-UHFFFAOYSA-N 1 1 349.456 0.441 20 30 ECEDMO Cn1cc(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C(F)(F)F)n1 ZINC000330237678 437472359 /nfs/dbraw/zinc/47/23/59/437472359.db2.gz AQGQFBVTEQPGAB-NSHDSACASA-N 1 1 348.373 0.688 20 30 ECEDMO Cc1nnc([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)[nH]1 ZINC000330064290 437450843 /nfs/dbraw/zinc/45/08/43/437450843.db2.gz CDNFQBJJNOHIOF-ZIAGYGMSSA-N 1 1 335.456 0.452 20 30 ECEDMO C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000290003458 437456789 /nfs/dbraw/zinc/45/67/89/437456789.db2.gz INOPMTVZZGPOCU-HNNXBMFYSA-N 1 1 347.415 0.163 20 30 ECEDMO Cn1cc([C@@H]2CN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CCO2)cn1 ZINC000330170176 437462630 /nfs/dbraw/zinc/46/26/30/437462630.db2.gz BQQBGOXLISGXSO-KGLIPLIRSA-N 1 1 330.392 0.919 20 30 ECEDMO Cc1cc(N2CCC(NC(=O)NC[C@H]3COCCO3)CC2)nc(C)[nH+]1 ZINC000330169080 437462679 /nfs/dbraw/zinc/46/26/79/437462679.db2.gz BDYJRPOQCSJUJF-HNNXBMFYSA-N 1 1 349.435 0.981 20 30 ECEDMO C[N@@H+](CCO)C1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000330166452 437463464 /nfs/dbraw/zinc/46/34/64/437463464.db2.gz YBCDWEXXXXKYEJ-AWEZNQCLSA-N 1 1 347.481 0.256 20 30 ECEDMO CNC(=O)CN1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000330183073 437464515 /nfs/dbraw/zinc/46/45/15/437464515.db2.gz PNJYBGCWRMBSIF-KRWDZBQOSA-N 1 1 337.468 0.979 20 30 ECEDMO CC[C@H](NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)C(=O)N1CCOCC1 ZINC000330198702 437467337 /nfs/dbraw/zinc/46/73/37/437467337.db2.gz UKRTYFSREASMRF-WMLDXEAASA-N 1 1 338.452 0.565 20 30 ECEDMO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCN(c2ncccn2)CC1 ZINC000330196748 437468472 /nfs/dbraw/zinc/46/84/72/437468472.db2.gz QUPLZWZUPZODMA-ZDUSSCGKSA-N 1 1 327.392 0.724 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000187825967 437515624 /nfs/dbraw/zinc/51/56/24/437515624.db2.gz HBMBVVPCSUVWEM-AWEZNQCLSA-N 1 1 343.427 0.910 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000187825967 437515629 /nfs/dbraw/zinc/51/56/29/437515629.db2.gz HBMBVVPCSUVWEM-AWEZNQCLSA-N 1 1 343.427 0.910 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000339979108 437537534 /nfs/dbraw/zinc/53/75/34/437537534.db2.gz WNRBBHJOVMMQFV-HNNXBMFYSA-N 1 1 325.453 0.884 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000330526939 437540933 /nfs/dbraw/zinc/54/09/33/437540933.db2.gz MJXNUGWANFDFNK-PVAVHDDUSA-N 1 1 348.451 0.548 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000330526939 437540937 /nfs/dbraw/zinc/54/09/37/437540937.db2.gz MJXNUGWANFDFNK-PVAVHDDUSA-N 1 1 348.451 0.548 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000291760402 437624620 /nfs/dbraw/zinc/62/46/20/437624620.db2.gz LCWOGRQIJROHLK-IRXDYDNUSA-N 1 1 344.463 0.822 20 30 ECEDMO C[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000330625597 437571652 /nfs/dbraw/zinc/57/16/52/437571652.db2.gz HSDDCGGHMUCMCO-DLBZAZTESA-N 1 1 335.496 0.706 20 30 ECEDMO C#CC[N@@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000192226812 437672631 /nfs/dbraw/zinc/67/26/31/437672631.db2.gz VYIIFQVJXQRIRN-UHFFFAOYSA-N 1 1 338.429 0.651 20 30 ECEDMO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000330936132 437654241 /nfs/dbraw/zinc/65/42/41/437654241.db2.gz QQPKIYJFLVYITA-CABCVRRESA-N 1 1 339.484 0.479 20 30 ECEDMO CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)CC1 ZINC000330957682 437658245 /nfs/dbraw/zinc/65/82/45/437658245.db2.gz DBCOZQSSTWZAFU-HNNXBMFYSA-N 1 1 340.468 0.954 20 30 ECEDMO C[C@H](CNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1)CN1CC[NH+](C)CC1 ZINC000330972068 437662353 /nfs/dbraw/zinc/66/23/53/437662353.db2.gz MXUISPDHIHDUOO-MGPQQGTHSA-N 1 1 341.456 0.408 20 30 ECEDMO C[C@@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H](CO)O1 ZINC000331001699 437667601 /nfs/dbraw/zinc/66/76/01/437667601.db2.gz WHSZFOLDNZPTCJ-BDAKNGLRSA-N 1 1 327.303 0.051 20 30 ECEDMO C[C@@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H](CO)O1 ZINC000331001699 437667605 /nfs/dbraw/zinc/66/76/05/437667605.db2.gz WHSZFOLDNZPTCJ-BDAKNGLRSA-N 1 1 327.303 0.051 20 30 ECEDMO C=C[C@@H](CO)NC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000292671664 437711062 /nfs/dbraw/zinc/71/10/62/437711062.db2.gz ZKZCQYMFEIOQED-KRWDZBQOSA-N 1 1 332.448 0.780 20 30 ECEDMO C=CC[N@H+](CCOC)C[C@@H](O)Cn1c(-c2ccccc2)noc1=O ZINC000362060588 437712707 /nfs/dbraw/zinc/71/27/07/437712707.db2.gz ZBOTUCFFOOLDTH-OAHLLOKOSA-N 1 1 333.388 0.999 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000362933458 437762685 /nfs/dbraw/zinc/76/26/85/437762685.db2.gz TUTQWLAFNBMIRW-CVEARBPZSA-N 1 1 327.384 0.586 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000340769953 437727330 /nfs/dbraw/zinc/72/73/30/437727330.db2.gz HKIZDGVLUKPMKY-INIZCTEOSA-N 1 1 338.496 0.801 20 30 ECEDMO C[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)NC(C)(C)C ZINC000331265026 437729526 /nfs/dbraw/zinc/72/95/26/437729526.db2.gz HAVZTHCFPYSXTD-CYBMUJFWSA-N 1 1 341.500 0.819 20 30 ECEDMO COC[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000331303703 437737057 /nfs/dbraw/zinc/73/70/57/437737057.db2.gz QLCNLNMVCHMQLO-GJZGRUSLSA-N 1 1 342.484 0.662 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(C)(C#N)CC2)CC1 ZINC000355961439 437739948 /nfs/dbraw/zinc/73/99/48/437739948.db2.gz MIOUBRKXYAXURW-UHFFFAOYSA-N 1 1 335.452 0.874 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)N(C)C)C1 ZINC000331358038 437743802 /nfs/dbraw/zinc/74/38/02/437743802.db2.gz UQMNFEFJKKFDOM-ZDUSSCGKSA-N 1 1 349.501 0.006 20 30 ECEDMO CNC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1c1ccc(C(=O)NC)n1C ZINC000331359763 437744021 /nfs/dbraw/zinc/74/40/21/437744021.db2.gz WXKVFWHXEUCAOB-CYBMUJFWSA-N 1 1 349.435 0.962 20 30 ECEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(NS(=O)(=O)NC)CC1 ZINC000331355850 437744110 /nfs/dbraw/zinc/74/41/10/437744110.db2.gz REAVZMPCZVOWCY-LBPRGKRZSA-N 1 1 349.501 0.149 20 30 ECEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC(=O)NCC#N)[C@@H](C)C1 ZINC000345020795 437777896 /nfs/dbraw/zinc/77/78/96/437777896.db2.gz ZTICGTRHFAAENA-UONOGXRCSA-N 1 1 339.440 0.062 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000363604578 437800211 /nfs/dbraw/zinc/80/02/11/437800211.db2.gz REGPJKLCIJWQAH-MRXNPFEDSA-N 1 1 326.400 0.985 20 30 ECEDMO COC(=O)c1cn(C2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)nn1 ZINC000347172681 437845947 /nfs/dbraw/zinc/84/59/47/437845947.db2.gz SDQPEBRJANGMIO-UHFFFAOYSA-N 1 1 346.391 0.264 20 30 ECEDMO Cc1nc(C)n(C[C@H]2C[N@H+](CCC(=O)N(C)CCC#N)CCO2)n1 ZINC000356989288 437881127 /nfs/dbraw/zinc/88/11/27/437881127.db2.gz RWYDBIBJRCEMQO-OAHLLOKOSA-N 1 1 334.424 0.358 20 30 ECEDMO Cc1nc(C)n(C[C@H]2C[N@@H+](CCC(=O)N(C)CCC#N)CCO2)n1 ZINC000356989288 437881131 /nfs/dbraw/zinc/88/11/31/437881131.db2.gz RWYDBIBJRCEMQO-OAHLLOKOSA-N 1 1 334.424 0.358 20 30 ECEDMO C[C@@H](C#N)S(=O)(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000416475404 437942104 /nfs/dbraw/zinc/94/21/04/437942104.db2.gz UJOMGLZOAGVBHS-GOEBONIOSA-N 1 1 337.445 0.797 20 30 ECEDMO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000365733488 437961002 /nfs/dbraw/zinc/96/10/02/437961002.db2.gz GVUZJDOWPSZJKL-NVXWUHKLSA-N 1 1 348.447 0.878 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000342152933 437972631 /nfs/dbraw/zinc/97/26/31/437972631.db2.gz BGWTUMKEUXLHMY-HRCADAONSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357392570 437978305 /nfs/dbraw/zinc/97/83/05/437978305.db2.gz RTGSEBLGHLUMAP-GJZGRUSLSA-N 1 1 340.445 0.518 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357392570 437978309 /nfs/dbraw/zinc/97/83/09/437978309.db2.gz RTGSEBLGHLUMAP-GJZGRUSLSA-N 1 1 340.445 0.518 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000428470854 438088621 /nfs/dbraw/zinc/08/86/21/438088621.db2.gz SLRJQSOOCQKSLL-UHFFFAOYSA-N 1 1 328.460 0.969 20 30 ECEDMO CC(C)(O)C[N@H+]1CCCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000372556589 438099782 /nfs/dbraw/zinc/09/97/82/438099782.db2.gz XAPNCWVOXJPGKU-UHFFFAOYSA-N 1 1 335.452 0.421 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000430377084 438110484 /nfs/dbraw/zinc/11/04/84/438110484.db2.gz NRPWGYJUNLRGCB-FZKCQIBNSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)CCCC ZINC000357975524 438112917 /nfs/dbraw/zinc/11/29/17/438112917.db2.gz POXCLFUOZFCQJG-CABCVRRESA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCc1ccc(OCC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC000358043811 438129062 /nfs/dbraw/zinc/12/90/62/438129062.db2.gz AUUXMOZOZSCHJI-GOSISDBHSA-N 1 1 334.416 0.985 20 30 ECEDMO COC(=O)CNC(=O)CC[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000373103181 438129136 /nfs/dbraw/zinc/12/91/36/438129136.db2.gz ZSQZYHPCCPLHSX-UHFFFAOYSA-N 1 1 345.403 0.145 20 30 ECEDMO C=CCN1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1=O ZINC000373963957 438177326 /nfs/dbraw/zinc/17/73/26/438177326.db2.gz WOIUAFVQGXBGHE-KFWWJZLASA-N 1 1 336.436 0.278 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000358210369 438183047 /nfs/dbraw/zinc/18/30/47/438183047.db2.gz JBYAWISNBVNSFI-CYBMUJFWSA-N 1 1 329.809 0.557 20 30 ECEDMO CC(C)(C#N)CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000350070625 438195793 /nfs/dbraw/zinc/19/57/93/438195793.db2.gz FUCZSOKSZMODSR-UHFFFAOYSA-N 1 1 345.451 0.838 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1F ZINC000367590410 438227272 /nfs/dbraw/zinc/22/72/72/438227272.db2.gz UMZOSXLCCKUIBR-MRXNPFEDSA-N 1 1 346.406 0.834 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)n1 ZINC000375067797 438241341 /nfs/dbraw/zinc/24/13/41/438241341.db2.gz ZAPHLJMVCPGNQB-JSGCOSHPSA-N 1 1 344.419 0.827 20 30 ECEDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1 ZINC000367849601 438258759 /nfs/dbraw/zinc/25/87/59/438258759.db2.gz PYOLHVHHUGFEDG-AWEZNQCLSA-N 1 1 325.376 0.636 20 30 ECEDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1 ZINC000367849601 438258761 /nfs/dbraw/zinc/25/87/61/438258761.db2.gz PYOLHVHHUGFEDG-AWEZNQCLSA-N 1 1 325.376 0.636 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000375779975 438262840 /nfs/dbraw/zinc/26/28/40/438262840.db2.gz NLCUZLIXBIXUOS-NWANDNLSSA-N 1 1 349.435 0.708 20 30 ECEDMO COC(=O)CN1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000377966604 438336158 /nfs/dbraw/zinc/33/61/58/438336158.db2.gz QSHPZFGGKDTZLP-INIZCTEOSA-N 1 1 347.415 0.479 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000368540503 438345080 /nfs/dbraw/zinc/34/50/80/438345080.db2.gz YGCBMJWXCHQOHQ-MRXNPFEDSA-N 1 1 325.453 0.492 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000377575452 438312830 /nfs/dbraw/zinc/31/28/30/438312830.db2.gz PAGBGXWLZIWHEF-SJORKVTESA-N 1 1 336.480 0.877 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1(C#N)CCC1 ZINC000419450284 438359169 /nfs/dbraw/zinc/35/91/69/438359169.db2.gz ZESFYDTYOJCCLA-AWEZNQCLSA-N 1 1 335.452 0.922 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)nn1CCC#N ZINC000378490582 438394726 /nfs/dbraw/zinc/39/47/26/438394726.db2.gz DTNYJHLNIKAPHG-ZIAGYGMSSA-N 1 1 344.419 0.596 20 30 ECEDMO CN(CCC#N)C(=O)CC[NH+]1CCN(C2(C(N)=O)CCCCC2)CC1 ZINC000378410769 438384641 /nfs/dbraw/zinc/38/46/41/438384641.db2.gz RPTKGBGSRODGLT-UHFFFAOYSA-N 1 1 349.479 0.554 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000359365241 438420163 /nfs/dbraw/zinc/42/01/63/438420163.db2.gz VXKFLSGXMTYCAQ-OAHLLOKOSA-N 1 1 339.484 0.346 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC(=O)N2CCCCC2)cc1 ZINC000391453524 438437984 /nfs/dbraw/zinc/43/79/84/438437984.db2.gz OACXYSDEDQWOAW-UHFFFAOYSA-N 1 1 335.429 0.934 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000369221961 438441417 /nfs/dbraw/zinc/44/14/17/438441417.db2.gz YZJWPNNAODMHQD-IRXDYDNUSA-N 1 1 349.479 0.725 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352250645 438402170 /nfs/dbraw/zinc/40/21/70/438402170.db2.gz KFSNDDCLBUBDIX-ZDUSSCGKSA-N 1 1 344.481 0.256 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369348048 438457007 /nfs/dbraw/zinc/45/70/07/438457007.db2.gz RQCPOOZRTZOKQB-SJLPKXTDSA-N 1 1 335.496 0.753 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369355293 438458804 /nfs/dbraw/zinc/45/88/04/438458804.db2.gz PPZZMTRWTBRYAU-CVEARBPZSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCc2ccccc2C(=O)OC)CC1 ZINC000359847915 438508825 /nfs/dbraw/zinc/50/88/25/438508825.db2.gz QHEMJOBVLAPEOV-UHFFFAOYSA-N 1 1 345.443 0.936 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C1CCN(Cc2cc(C)no2)CC1 ZINC000369906983 438525515 /nfs/dbraw/zinc/52/55/15/438525515.db2.gz UGNKZITXAUBYPV-UHFFFAOYSA-N 1 1 349.435 0.891 20 30 ECEDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000442298687 438604309 /nfs/dbraw/zinc/60/43/09/438604309.db2.gz GJUOKOSEHHBGRE-VXGBXAGGSA-N 1 1 346.435 0.999 20 30 ECEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000442298687 438604311 /nfs/dbraw/zinc/60/43/11/438604311.db2.gz GJUOKOSEHHBGRE-VXGBXAGGSA-N 1 1 346.435 0.999 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)CC1 ZINC000370153494 438555872 /nfs/dbraw/zinc/55/58/72/438555872.db2.gz ZFOUWPZDIYGNJY-SQNIBIBYSA-N 1 1 347.507 0.705 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)NCc1cccc(C#N)c1 ZINC000444676366 438663580 /nfs/dbraw/zinc/66/35/80/438663580.db2.gz ULLIRSNJUKKNCP-OAHLLOKOSA-N 1 1 344.459 0.951 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000410839010 438664237 /nfs/dbraw/zinc/66/42/37/438664237.db2.gz CDKIETACPOPGRB-SJPCQFCGSA-N 1 1 348.491 0.790 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000446063339 438667669 /nfs/dbraw/zinc/66/76/69/438667669.db2.gz XYNMHFIJZRZKCD-JKSUJKDBSA-N 1 1 336.480 0.772 20 30 ECEDMO COC(=O)[C@H]1CN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC[N@@H+](C)C1 ZINC000411900062 438683511 /nfs/dbraw/zinc/68/35/11/438683511.db2.gz DCOVPYLESNCJBG-CKEIUWERSA-N 1 1 338.452 0.466 20 30 ECEDMO C[C@@H]1C[C@@]1(C#N)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000448847002 438685497 /nfs/dbraw/zinc/68/54/97/438685497.db2.gz JUSVCPCTQIWXSD-BEFAXECRSA-N 1 1 340.427 0.997 20 30 ECEDMO Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000448971964 438685872 /nfs/dbraw/zinc/68/58/72/438685872.db2.gz QKLFCRDIXZEQAX-HNNXBMFYSA-N 1 1 329.404 0.573 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412055190 438686108 /nfs/dbraw/zinc/68/61/08/438686108.db2.gz KQYUCRUUZUTTCS-KGLIPLIRSA-N 1 1 336.436 0.864 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000453641737 438687099 /nfs/dbraw/zinc/68/70/99/438687099.db2.gz AVEADZWXCVGKCF-AWEZNQCLSA-N 1 1 344.415 0.890 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1C#N ZINC000453712295 438690952 /nfs/dbraw/zinc/69/09/52/438690952.db2.gz NFQQTAAEZMKWCR-FZMZJTMJSA-N 1 1 327.388 0.895 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(F)c1 ZINC000453812799 438696139 /nfs/dbraw/zinc/69/61/39/438696139.db2.gz BAJFNQBGRGEETR-CYBMUJFWSA-N 1 1 348.378 0.599 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451408140 438698847 /nfs/dbraw/zinc/69/88/47/438698847.db2.gz YRTIEGIJHCPHEB-UHFFFAOYSA-N 1 1 345.852 0.999 20 30 ECEDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000453962962 438704147 /nfs/dbraw/zinc/70/41/47/438704147.db2.gz HLLYYMONGJQJKE-AWEZNQCLSA-N 1 1 346.435 0.986 20 30 ECEDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000453962962 438704151 /nfs/dbraw/zinc/70/41/51/438704151.db2.gz HLLYYMONGJQJKE-AWEZNQCLSA-N 1 1 346.435 0.986 20 30 ECEDMO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ncc1C#N ZINC000457537753 438810235 /nfs/dbraw/zinc/81/02/35/438810235.db2.gz SCZZESLLJPUNHF-INIZCTEOSA-N 1 1 343.431 0.934 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC[N@@H+]3CCO[C@@H](C)C3)CC2)c1C#N ZINC000558617149 438815301 /nfs/dbraw/zinc/81/53/01/438815301.db2.gz DVXPGKMTCITPQF-AWEZNQCLSA-N 1 1 332.452 0.443 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)c1C#N ZINC000558617149 438815305 /nfs/dbraw/zinc/81/53/05/438815305.db2.gz DVXPGKMTCITPQF-AWEZNQCLSA-N 1 1 332.452 0.443 20 30 ECEDMO C=CCC[C@@H](CO)NC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000457719929 438823860 /nfs/dbraw/zinc/82/38/60/438823860.db2.gz BYJCZKZUOKXTLQ-HNNXBMFYSA-N 1 1 340.468 0.603 20 30 ECEDMO Cc1sc(NC(=O)C[NH2+]C2(C(N)=O)CCOCC2)c(C#N)c1C ZINC000595727297 438849928 /nfs/dbraw/zinc/84/99/28/438849928.db2.gz AESQTDFXUDEPOZ-UHFFFAOYSA-N 1 1 336.417 0.799 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 ZINC000601333168 438850431 /nfs/dbraw/zinc/85/04/31/438850431.db2.gz BRFMCJDNWUAYAZ-AWEZNQCLSA-N 1 1 330.432 0.835 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(O)(CO)CC3)C2=O)cc1 ZINC000595732842 438852031 /nfs/dbraw/zinc/85/20/31/438852031.db2.gz PFJPRBPQJZZCGT-INIZCTEOSA-N 1 1 329.400 0.873 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000601440332 438896218 /nfs/dbraw/zinc/89/62/18/438896218.db2.gz OPESNVBJGJCWLR-UHFFFAOYSA-N 1 1 344.481 0.653 20 30 ECEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000578199167 438905724 /nfs/dbraw/zinc/90/57/24/438905724.db2.gz YCWIJMRECKPWAZ-QWHCGFSZSA-N 1 1 330.454 0.166 20 30 ECEDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000563115104 438858733 /nfs/dbraw/zinc/85/87/33/438858733.db2.gz KWCQHXPKTQBGCC-AWEZNQCLSA-N 1 1 328.416 0.921 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC(CO)(CO)C3)C2=O)cc1 ZINC000595808754 438865878 /nfs/dbraw/zinc/86/58/78/438865878.db2.gz VYZYKLKONWNVHX-INIZCTEOSA-N 1 1 329.400 0.730 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC(CO)(CO)C3)C2=O)cc1 ZINC000595808754 438865881 /nfs/dbraw/zinc/86/58/81/438865881.db2.gz VYZYKLKONWNVHX-INIZCTEOSA-N 1 1 329.400 0.730 20 30 ECEDMO Cc1nn(C)c(N2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)c1C#N ZINC000589261714 438866785 /nfs/dbraw/zinc/86/67/85/438866785.db2.gz QNFCKXWDARKCDC-HNNXBMFYSA-N 1 1 332.452 0.177 20 30 ECEDMO N#Cc1ccc(CNC(=O)CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595864473 438872974 /nfs/dbraw/zinc/87/29/74/438872974.db2.gz ATJMOPIFFUMHDT-SFHVURJKSA-N 1 1 342.443 0.705 20 30 ECEDMO CCS(=O)(=O)C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564856765 438879514 /nfs/dbraw/zinc/87/95/14/438879514.db2.gz OEZGNGNOYJFMMF-LLVKDONJSA-N 1 1 345.446 0.140 20 30 ECEDMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000590315058 438909569 /nfs/dbraw/zinc/90/95/69/438909569.db2.gz LDWOQUPQLLKSSD-ZDUSSCGKSA-N 1 1 346.435 1.001 20 30 ECEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000590315058 438909574 /nfs/dbraw/zinc/90/95/74/438909574.db2.gz LDWOQUPQLLKSSD-ZDUSSCGKSA-N 1 1 346.435 1.001 20 30 ECEDMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601531962 438928503 /nfs/dbraw/zinc/92/85/03/438928503.db2.gz GEERUBWXZMKQPB-UHFFFAOYSA-N 1 1 337.468 0.138 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(CCC#N)CC1 ZINC000601592148 438939048 /nfs/dbraw/zinc/93/90/48/438939048.db2.gz RUMCZFDMWUMNGK-INIZCTEOSA-N 1 1 336.484 0.253 20 30 ECEDMO N#CCCN1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000601596727 438939359 /nfs/dbraw/zinc/93/93/59/438939359.db2.gz WKLHLQJZXQHDPF-DLBZAZTESA-N 1 1 349.479 0.871 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000578640243 438941013 /nfs/dbraw/zinc/94/10/13/438941013.db2.gz QSNTZTYOOCUJCB-KKUMJFAQSA-N 1 1 336.436 0.183 20 30 ECEDMO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000601740130 438963903 /nfs/dbraw/zinc/96/39/03/438963903.db2.gz JLHDULMGDKWPJQ-ZDUSSCGKSA-N 1 1 332.408 0.931 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000601740130 438963910 /nfs/dbraw/zinc/96/39/10/438963910.db2.gz JLHDULMGDKWPJQ-ZDUSSCGKSA-N 1 1 332.408 0.931 20 30 ECEDMO Cn1c(N[C@H]2CC[N@H+](C3CCCCC3)C2)c(C#N)c(=O)n(C)c1=O ZINC000596480282 438968251 /nfs/dbraw/zinc/96/82/51/438968251.db2.gz XYODARXLOMUQBH-LBPRGKRZSA-N 1 1 331.420 0.775 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cc(C(N)=O)co2)cc1 ZINC000565888562 438987518 /nfs/dbraw/zinc/98/75/18/438987518.db2.gz PQOBJAUITVAUJJ-CQSZACIVSA-N 1 1 329.356 0.974 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000459826236 439009458 /nfs/dbraw/zinc/00/94/58/439009458.db2.gz WNRPFCDVZFKVDW-AWEZNQCLSA-N 1 1 325.453 0.715 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000459826236 439009462 /nfs/dbraw/zinc/00/94/62/439009462.db2.gz WNRPFCDVZFKVDW-AWEZNQCLSA-N 1 1 325.453 0.715 20 30 ECEDMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000519620575 439048737 /nfs/dbraw/zinc/04/87/37/439048737.db2.gz CDUHIGPLBGZLAJ-IAGOWNOFSA-N 1 1 335.496 0.705 20 30 ECEDMO N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000602283122 439058434 /nfs/dbraw/zinc/05/84/34/439058434.db2.gz PATHAJHJLAIULL-CVEARBPZSA-N 1 1 347.463 0.177 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000602119975 439014330 /nfs/dbraw/zinc/01/43/30/439014330.db2.gz PYCKUMNCYCGQBU-ZIAGYGMSSA-N 1 1 328.420 0.727 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)nc1 ZINC000579583823 439020711 /nfs/dbraw/zinc/02/07/11/439020711.db2.gz NQOSBPWVSGFHDL-KBPBESRZSA-N 1 1 348.428 0.470 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC2)C1 ZINC000591559392 439021157 /nfs/dbraw/zinc/02/11/57/439021157.db2.gz XTBCSJCGQWFOGY-OAHLLOKOSA-N 1 1 349.479 0.281 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000579615481 439024637 /nfs/dbraw/zinc/02/46/37/439024637.db2.gz JHMOMINXTKRKCF-CQSZACIVSA-N 1 1 344.481 0.652 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000579615481 439024641 /nfs/dbraw/zinc/02/46/41/439024641.db2.gz JHMOMINXTKRKCF-CQSZACIVSA-N 1 1 344.481 0.652 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000580410602 439086865 /nfs/dbraw/zinc/08/68/65/439086865.db2.gz XXJZTNDNHGGCJG-MRXNPFEDSA-N 1 1 334.351 0.665 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CC[C@](O)(CC#N)C1)N1CC[NH+](C)CC1 ZINC000591903876 439108418 /nfs/dbraw/zinc/10/84/18/439108418.db2.gz YGLTZZJUZFXNOH-DOTOQJQBSA-N 1 1 337.468 0.318 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3nnc(N)cc3C2)cc1 ZINC000580666392 439117435 /nfs/dbraw/zinc/11/74/35/439117435.db2.gz PCLXWXKFUKCCEB-OAHLLOKOSA-N 1 1 339.399 0.923 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3nnc(N)cc3C2)cc1 ZINC000580666392 439117438 /nfs/dbraw/zinc/11/74/38/439117438.db2.gz PCLXWXKFUKCCEB-OAHLLOKOSA-N 1 1 339.399 0.923 20 30 ECEDMO N#CCC[C@H](C#N)C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000591737522 439077870 /nfs/dbraw/zinc/07/78/70/439077870.db2.gz LANABJFOTYWJPP-KGLIPLIRSA-N 1 1 328.438 0.508 20 30 ECEDMO COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150779 439167957 /nfs/dbraw/zinc/16/79/57/439167957.db2.gz IWKORYAEBDKGOH-GUYCJALGSA-N 1 1 336.388 0.794 20 30 ECEDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000592193216 439174136 /nfs/dbraw/zinc/17/41/36/439174136.db2.gz DOBYHRZVCFDHQW-DZGCQCFKSA-N 1 1 331.372 0.743 20 30 ECEDMO N#CC[C@@]1(O)CC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000592155216 439169224 /nfs/dbraw/zinc/16/92/24/439169224.db2.gz YUIBFSLBRGMRRU-KBXCAEBGSA-N 1 1 345.399 0.661 20 30 ECEDMO N#CCC(=O)NC[C@@]1(NC(=O)CC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000597622110 439141325 /nfs/dbraw/zinc/14/13/25/439141325.db2.gz SDCWATDZPOBZNL-SFHVURJKSA-N 1 1 339.399 0.691 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856059 439145621 /nfs/dbraw/zinc/14/56/21/439145621.db2.gz JPFJNSRRIZHXPW-XQLPTFJDSA-N 1 1 335.452 0.017 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000487709006 439160725 /nfs/dbraw/zinc/16/07/25/439160725.db2.gz VFYIDDPZHNKLAA-XYPHTWIQSA-N 1 1 340.427 0.973 20 30 ECEDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CNc1ccc(C#N)cn1 ZINC000597696019 439161211 /nfs/dbraw/zinc/16/12/11/439161211.db2.gz UWEARXCWEXMPTQ-HUUCEWRRSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000581518259 439222316 /nfs/dbraw/zinc/22/23/16/439222316.db2.gz TVHKKPDLZVTXJD-CYBMUJFWSA-N 1 1 336.417 0.047 20 30 ECEDMO Cn1c2ncn(CC[N@H+](C)[C@@H]3CCC[C@H]3C#N)c2c(=O)n(C)c1=O ZINC000602980211 439175204 /nfs/dbraw/zinc/17/52/04/439175204.db2.gz NABGSUQYDCLOJN-NWDGAFQWSA-N 1 1 330.392 0.058 20 30 ECEDMO Cn1c2ncn(CC[N@@H+](C)[C@@H]3CCC[C@H]3C#N)c2c(=O)n(C)c1=O ZINC000602980211 439175205 /nfs/dbraw/zinc/17/52/05/439175205.db2.gz NABGSUQYDCLOJN-NWDGAFQWSA-N 1 1 330.392 0.058 20 30 ECEDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000592197932 439176804 /nfs/dbraw/zinc/17/68/04/439176804.db2.gz QAPXLFATLASJDG-ZFWWWQNUSA-N 1 1 331.372 0.743 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000597774505 439179365 /nfs/dbraw/zinc/17/93/65/439179365.db2.gz MLWZSFKVMHIRKB-UONOGXRCSA-N 1 1 325.409 0.021 20 30 ECEDMO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1=O ZINC000568078554 439210424 /nfs/dbraw/zinc/21/04/24/439210424.db2.gz VYCKZFVQEJHPLX-MRVWCRGKSA-N 1 1 348.428 0.326 20 30 ECEDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C#N)cc1F ZINC000525698889 439214901 /nfs/dbraw/zinc/21/49/01/439214901.db2.gz YJAXMJUUXVBOKJ-UHFFFAOYSA-N 1 1 329.397 0.944 20 30 ECEDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cc(C#N)ccc1C ZINC000592388893 439217502 /nfs/dbraw/zinc/21/75/02/439217502.db2.gz POLMDDISBJMGCT-ZDUSSCGKSA-N 1 1 337.401 0.392 20 30 ECEDMO C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590079 439283220 /nfs/dbraw/zinc/28/32/20/439283220.db2.gz WWGDLEFGDNPAHA-IKGGRYGDSA-N 1 1 338.496 0.624 20 30 ECEDMO Cn1cc[nH+]c1N1CCC(NC(=O)CNc2ccc(C#N)cn2)CC1 ZINC000526019505 439231905 /nfs/dbraw/zinc/23/19/05/439231905.db2.gz XEBZTPSQGWHPNX-UHFFFAOYSA-N 1 1 339.403 0.884 20 30 ECEDMO COCCOCc1cc(C#N)ccc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000603405192 439255409 /nfs/dbraw/zinc/25/54/09/439255409.db2.gz ZUXAOFSZYFLEGK-DLBZAZTESA-N 1 1 331.416 0.976 20 30 ECEDMO COCCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000603444813 439261643 /nfs/dbraw/zinc/26/16/43/439261643.db2.gz FXFAJCZCBLAFFB-UHFFFAOYSA-N 1 1 344.415 0.971 20 30 ECEDMO COCCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000598597095 439284595 /nfs/dbraw/zinc/28/45/95/439284595.db2.gz VHHPAGJRQGMZAX-KBPBESRZSA-N 1 1 332.466 0.813 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000491104147 439333619 /nfs/dbraw/zinc/33/36/19/439333619.db2.gz RRRQTVKJFMDAFD-UHFFFAOYSA-N 1 1 331.420 0.753 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000491122228 439336183 /nfs/dbraw/zinc/33/61/83/439336183.db2.gz UKYDSXJGEVKJOC-KRWDZBQOSA-N 1 1 333.407 0.096 20 30 ECEDMO CC(C)NS(=O)(=O)N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598616915 439289429 /nfs/dbraw/zinc/28/94/29/439289429.db2.gz DIDMORHJAUGNOG-CYBMUJFWSA-N 1 1 332.470 0.148 20 30 ECEDMO COC(=O)c1ccc(NC[C@](C)(O)C[NH+]2CCOCC2)c(C#N)n1 ZINC000568901282 439290182 /nfs/dbraw/zinc/29/01/82/439290182.db2.gz RZYNIHQDZPTDFU-INIZCTEOSA-N 1 1 334.376 0.235 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CCOC)CCc2ccccc2)CC1 ZINC000490780582 439298443 /nfs/dbraw/zinc/29/84/43/439298443.db2.gz MGTITPXGXFITSM-UHFFFAOYSA-N 1 1 343.471 0.955 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](CCOC)CCc2ccccc2)CC1 ZINC000490780582 439298447 /nfs/dbraw/zinc/29/84/47/439298447.db2.gz MGTITPXGXFITSM-UHFFFAOYSA-N 1 1 343.471 0.955 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000490871975 439304948 /nfs/dbraw/zinc/30/49/48/439304948.db2.gz DHQWDXPDFDRQSE-ZDUSSCGKSA-N 1 1 340.401 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000490871975 439304952 /nfs/dbraw/zinc/30/49/52/439304952.db2.gz DHQWDXPDFDRQSE-ZDUSSCGKSA-N 1 1 340.401 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000490874743 439307253 /nfs/dbraw/zinc/30/72/53/439307253.db2.gz NXSUKWDVMXDCGL-AWEZNQCLSA-N 1 1 328.434 0.299 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](NS(C)(=O)=O)[C@@H](C)CC ZINC000490900759 439309289 /nfs/dbraw/zinc/30/92/89/439309289.db2.gz XQSVJQVYNDWPPF-MJBXVCDLSA-N 1 1 330.450 0.591 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)CCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528514862 439344076 /nfs/dbraw/zinc/34/40/76/439344076.db2.gz BKERISZOEFGMJF-OAHLLOKOSA-N 1 1 341.411 0.284 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC000491314561 439366119 /nfs/dbraw/zinc/36/61/19/439366119.db2.gz HNXKFZXFYJEVHR-UHFFFAOYSA-N 1 1 331.416 0.610 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC000491314561 439366121 /nfs/dbraw/zinc/36/61/21/439366121.db2.gz HNXKFZXFYJEVHR-UHFFFAOYSA-N 1 1 331.416 0.610 20 30 ECEDMO C#C[C@H](C)N(C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000491231662 439355108 /nfs/dbraw/zinc/35/51/08/439355108.db2.gz VGSOTCKKBGLVBP-HNNXBMFYSA-N 1 1 330.436 0.652 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000491251678 439356318 /nfs/dbraw/zinc/35/63/18/439356318.db2.gz BHFSOTVHPQETRY-UHFFFAOYSA-N 1 1 344.481 0.055 20 30 ECEDMO C[C@]1(CO)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@@]1(C)CO ZINC000528749853 439367204 /nfs/dbraw/zinc/36/72/04/439367204.db2.gz YXNOGSQOMFNDPO-HDICACEKSA-N 1 1 331.416 0.487 20 30 ECEDMO C[C@]1(CO)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@@]1(C)CO ZINC000528749853 439367208 /nfs/dbraw/zinc/36/72/08/439367208.db2.gz YXNOGSQOMFNDPO-HDICACEKSA-N 1 1 331.416 0.487 20 30 ECEDMO C#C[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000491438221 439384735 /nfs/dbraw/zinc/38/47/35/439384735.db2.gz AQQDSAXCIKJHDF-XHSDSOJGSA-N 1 1 333.432 0.180 20 30 ECEDMO C[N@H+](C[C@H](O)COc1ccccc1C#N)C[C@H]1CCS(=O)(=O)C1 ZINC000599298934 439423428 /nfs/dbraw/zinc/42/34/28/439423428.db2.gz BKIIDFGMIHPDNO-HIFRSBDPSA-N 1 1 338.429 0.664 20 30 ECEDMO C[N@@H+](C[C@H](O)COc1ccccc1C#N)C[C@H]1CCS(=O)(=O)C1 ZINC000599298934 439423435 /nfs/dbraw/zinc/42/34/35/439423435.db2.gz BKIIDFGMIHPDNO-HIFRSBDPSA-N 1 1 338.429 0.664 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000491666960 439424917 /nfs/dbraw/zinc/42/49/17/439424917.db2.gz KKDDIJUZFGXXKC-RCCFBDPRSA-N 1 1 332.492 0.426 20 30 ECEDMO C#C[C@H]1COCCN1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000491677972 439426915 /nfs/dbraw/zinc/42/69/15/439426915.db2.gz SBQSKXIXOKMEAT-KRWDZBQOSA-N 1 1 348.491 0.980 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000570580469 439432576 /nfs/dbraw/zinc/43/25/76/439432576.db2.gz XGPOGLJZGSGUHQ-KGLIPLIRSA-N 1 1 338.452 0.572 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCN(CCC(=O)OC)C[C@H]1C ZINC000491718885 439434541 /nfs/dbraw/zinc/43/45/41/439434541.db2.gz WXBPIUWFAZUCRH-OAHLLOKOSA-N 1 1 338.452 0.220 20 30 ECEDMO C#C[C@@H]1COCCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000491716439 439435960 /nfs/dbraw/zinc/43/59/60/439435960.db2.gz NNOSJBJXLIOHGP-GOSISDBHSA-N 1 1 327.428 0.665 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000491729476 439437732 /nfs/dbraw/zinc/43/77/32/439437732.db2.gz CPWBNDVMRPZTPF-HNNXBMFYSA-N 1 1 341.477 0.452 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000491771332 439446067 /nfs/dbraw/zinc/44/60/67/439446067.db2.gz RHGSPEIWSGEDPB-JKIFEVAISA-N 1 1 344.415 0.580 20 30 ECEDMO C#CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CCS(=O)(=O)C1 ZINC000491775464 439449525 /nfs/dbraw/zinc/44/95/25/439449525.db2.gz BTSOATSROKAJRY-ZFWWWQNUSA-N 1 1 335.429 0.403 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000491775642 439449857 /nfs/dbraw/zinc/44/98/57/439449857.db2.gz VINZCNSBENGFPN-UONOGXRCSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000491775642 439449862 /nfs/dbraw/zinc/44/98/62/439449862.db2.gz VINZCNSBENGFPN-UONOGXRCSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000491812908 439456159 /nfs/dbraw/zinc/45/61/59/439456159.db2.gz PDYJBKTUTOCKHM-SJORKVTESA-N 1 1 347.463 0.973 20 30 ECEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853887 439478371 /nfs/dbraw/zinc/47/83/71/439478371.db2.gz HHAPBBQQPPJDGJ-OAHLLOKOSA-N 1 1 329.400 0.993 20 30 ECEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853887 439478378 /nfs/dbraw/zinc/47/83/78/439478378.db2.gz HHAPBBQQPPJDGJ-OAHLLOKOSA-N 1 1 329.400 0.993 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599464900 439484187 /nfs/dbraw/zinc/48/41/87/439484187.db2.gz WQGLWMYOMOQWIC-HNNXBMFYSA-N 1 1 344.481 0.700 20 30 ECEDMO N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CNCCO3)CC2)c1 ZINC000593919140 439495180 /nfs/dbraw/zinc/49/51/80/439495180.db2.gz PSZNVJBMVLPYCV-KRWDZBQOSA-N 1 1 328.416 0.627 20 30 ECEDMO CCC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CC(=O)N(C)C1=O ZINC000599402470 439457710 /nfs/dbraw/zinc/45/77/10/439457710.db2.gz SPHKUPIBELGEIY-UONOGXRCSA-N 1 1 337.420 0.527 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000599618630 439518688 /nfs/dbraw/zinc/51/86/88/439518688.db2.gz QTXZOSMGQGMNES-AWEZNQCLSA-N 1 1 338.452 0.573 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)ncc1C#N ZINC000594284694 439535565 /nfs/dbraw/zinc/53/55/65/439535565.db2.gz FIENAVPHTCXTTR-UHFFFAOYSA-N 1 1 331.376 0.039 20 30 ECEDMO Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000594286936 439535699 /nfs/dbraw/zinc/53/56/99/439535699.db2.gz HGXCFRXMPYSMMU-UHFFFAOYSA-N 1 1 326.360 0.912 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000599690902 439538666 /nfs/dbraw/zinc/53/86/66/439538666.db2.gz BDCOBUABAPXQPK-DZGCQCFKSA-N 1 1 344.481 0.302 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000599690902 439538672 /nfs/dbraw/zinc/53/86/72/439538672.db2.gz BDCOBUABAPXQPK-DZGCQCFKSA-N 1 1 344.481 0.302 20 30 ECEDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000571880231 439540142 /nfs/dbraw/zinc/54/01/42/439540142.db2.gz AQOZBZULNIFBAW-MRXNPFEDSA-N 1 1 328.416 0.921 20 30 ECEDMO C=CCN(C(=O)Cn1c[nH+]c2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000538687804 439544940 /nfs/dbraw/zinc/54/49/40/439544940.db2.gz CASWGWAOJNCNRK-CYBMUJFWSA-N 1 1 337.445 0.964 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000572012253 439550080 /nfs/dbraw/zinc/55/00/80/439550080.db2.gz MSVGVODRMJCGRK-GOSISDBHSA-N 1 1 342.443 0.971 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000572012253 439550084 /nfs/dbraw/zinc/55/00/84/439550084.db2.gz MSVGVODRMJCGRK-GOSISDBHSA-N 1 1 342.443 0.971 20 30 ECEDMO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000599590965 439513286 /nfs/dbraw/zinc/51/32/86/439513286.db2.gz PCQFDHSZOYDGAR-STQMWFEESA-N 1 1 339.392 0.175 20 30 ECEDMO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000599590965 439513289 /nfs/dbraw/zinc/51/32/89/439513289.db2.gz PCQFDHSZOYDGAR-STQMWFEESA-N 1 1 339.392 0.175 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000583808631 439513449 /nfs/dbraw/zinc/51/34/49/439513449.db2.gz PRSPZWZHTDFZLY-ZFWWWQNUSA-N 1 1 338.452 0.429 20 30 ECEDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000594473663 439565920 /nfs/dbraw/zinc/56/59/20/439565920.db2.gz DCSJCRQCDMSNJB-CYBMUJFWSA-N 1 1 330.454 0.262 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000609537710 439576061 /nfs/dbraw/zinc/57/60/61/439576061.db2.gz CVUSQZMFTUQKQE-IRXDYDNUSA-N 1 1 335.496 0.705 20 30 ECEDMO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)nc1 ZINC000584345815 439579792 /nfs/dbraw/zinc/57/97/92/439579792.db2.gz CTCNFIKIHDEZRM-KRWDZBQOSA-N 1 1 346.479 0.129 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)C1 ZINC000609672325 439584118 /nfs/dbraw/zinc/58/41/18/439584118.db2.gz AATGBKHXVGUATO-FUHWJXTLSA-N 1 1 333.480 0.507 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2c3ccccc3C[C@@H]2O)nc1 ZINC000584781469 439617330 /nfs/dbraw/zinc/61/73/30/439617330.db2.gz GGJBBQDDVPPBJU-DOTOQJQBSA-N 1 1 343.408 0.975 20 30 ECEDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000595112099 439654320 /nfs/dbraw/zinc/65/43/20/439654320.db2.gz SHGBBWHQIMTCLW-JTQLQIEISA-N 1 1 329.403 0.145 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C3(CO)CCC3)CC2)o1 ZINC000573673368 439660297 /nfs/dbraw/zinc/66/02/97/439660297.db2.gz OYEBSSQNQMNQHI-UHFFFAOYSA-N 1 1 347.419 0.350 20 30 ECEDMO CN1CCN(c2ncccc2CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000573840649 439669520 /nfs/dbraw/zinc/66/95/20/439669520.db2.gz VVMYZJOMQGFZGL-OAHLLOKOSA-N 1 1 330.436 0.471 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522520 439703095 /nfs/dbraw/zinc/70/30/95/439703095.db2.gz GRHKKHFBXZKSKL-PBHICJAKSA-N 1 1 337.468 0.135 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@H](O)CC3(O)CCOCC3)CC2)nc1 ZINC000600845780 439710265 /nfs/dbraw/zinc/71/02/65/439710265.db2.gz IORQNWPCAYMREL-MRXNPFEDSA-N 1 1 346.431 0.368 20 30 ECEDMO C[C@@](O)(C[C@H](O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)C1CC1 ZINC000600845379 439710955 /nfs/dbraw/zinc/71/09/55/439710955.db2.gz DXDUPSZSEPBTLO-FUHWJXTLSA-N 1 1 330.432 0.987 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595384064 439718518 /nfs/dbraw/zinc/71/85/18/439718518.db2.gz INKBAYOZDNLIHE-HIFRSBDPSA-N 1 1 344.481 0.244 20 30 ECEDMO CC(C)(CC#N)CS(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595383206 439718833 /nfs/dbraw/zinc/71/88/33/439718833.db2.gz AWFLXUBUUUQXPX-CQSZACIVSA-N 1 1 329.466 0.787 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)nn1CCC#N ZINC000611247879 439685299 /nfs/dbraw/zinc/68/52/99/439685299.db2.gz WDQZNUYQPQKOKK-AWEZNQCLSA-N 1 1 344.419 0.644 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000574159512 439686867 /nfs/dbraw/zinc/68/68/67/439686867.db2.gz XZAXQOMVGDLOGV-CQSZACIVSA-N 1 1 329.360 0.347 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+](CCO)C2CCOCC2)cc1 ZINC000614923095 439790408 /nfs/dbraw/zinc/79/04/08/439790408.db2.gz IIOGRKNMBZWCOV-KRWDZBQOSA-N 1 1 334.416 0.966 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000658616850 440036623 /nfs/dbraw/zinc/03/66/23/440036623.db2.gz UVBSVGHKUPEGIB-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC23CCOCC3)CC1 ZINC000618318184 440105225 /nfs/dbraw/zinc/10/52/25/440105225.db2.gz HNRRNTCCIRZZTA-INIZCTEOSA-N 1 1 334.464 0.934 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H]2CCCC[N@@H+]2C(C)C)c1=O ZINC000663938223 440200694 /nfs/dbraw/zinc/20/06/94/440200694.db2.gz GRQPAZKOEFSLIJ-OAHLLOKOSA-N 1 1 348.447 0.807 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N2CC(S(=O)(=O)CC)C2)CC1 ZINC000664017617 440216922 /nfs/dbraw/zinc/21/69/22/440216922.db2.gz YLVAERLPNBBIJF-UHFFFAOYSA-N 1 1 329.466 0.855 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C1=O ZINC000660465488 440661417 /nfs/dbraw/zinc/66/14/17/440661417.db2.gz ZDSVDZNXVYEIDG-OAHLLOKOSA-N 1 1 337.445 0.813 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C1=O ZINC000660465488 440661421 /nfs/dbraw/zinc/66/14/21/440661421.db2.gz ZDSVDZNXVYEIDG-OAHLLOKOSA-N 1 1 337.445 0.813 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000644824559 440696369 /nfs/dbraw/zinc/69/63/69/440696369.db2.gz XQQLTTCYGJBYSP-HOCLYGCPSA-N 1 1 349.456 0.927 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000645167033 440757948 /nfs/dbraw/zinc/75/79/48/440757948.db2.gz GVMIUGQRTZEKQB-QGZVFWFLSA-N 1 1 344.459 0.882 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656341128 440778967 /nfs/dbraw/zinc/77/89/67/440778967.db2.gz WUOBZSQSSMPMJR-FZKCQIBNSA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000641490136 441132260 /nfs/dbraw/zinc/13/22/60/441132260.db2.gz WYCFBOZLJRJEBA-AWEZNQCLSA-N 1 1 337.445 0.672 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000641490136 441132264 /nfs/dbraw/zinc/13/22/64/441132264.db2.gz WYCFBOZLJRJEBA-AWEZNQCLSA-N 1 1 337.445 0.672 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001077991249 782089455 /nfs/dbraw/zinc/08/94/55/782089455.db2.gz LDLRZPWVONAGMC-QDIHITRGSA-N 1 1 337.464 0.618 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2ncccc2C#N)CC1 ZINC000562479234 322275947 /nfs/dbraw/zinc/27/59/47/322275947.db2.gz XBPIHUYDSPBEEI-MRXNPFEDSA-N 1 1 333.436 0.014 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(c3ccnc(C#N)n3)CC2)CC1 ZINC000563899207 322352572 /nfs/dbraw/zinc/35/25/72/322352572.db2.gz XGZVEVXCOSAVJW-UHFFFAOYSA-N 1 1 328.420 0.729 20 30 ECEDMO C[C@@H]1OCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000328932424 546009773 /nfs/dbraw/zinc/00/97/73/546009773.db2.gz IHPQBGABNCKKFY-KKUMJFAQSA-N 1 1 339.436 0.834 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)[N@H+](C)C1 ZINC000328933404 546009949 /nfs/dbraw/zinc/00/99/49/546009949.db2.gz BWMPLQGKOKFFRE-IHRRRGAJSA-N 1 1 349.435 0.900 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)[N@@H+](C)C1 ZINC000328933404 546009952 /nfs/dbraw/zinc/00/99/52/546009952.db2.gz BWMPLQGKOKFFRE-IHRRRGAJSA-N 1 1 349.435 0.900 20 30 ECEDMO C[C@H]([C@H](C)NC(=O)CCC(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000329104340 546014356 /nfs/dbraw/zinc/01/43/56/546014356.db2.gz NYWXKBNEFLMFSA-UONOGXRCSA-N 1 1 327.425 0.691 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000329243476 546018011 /nfs/dbraw/zinc/01/80/11/546018011.db2.gz SXLGVSMSJWUUMP-CYBMUJFWSA-N 1 1 348.403 0.922 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1=O ZINC000337272710 546066270 /nfs/dbraw/zinc/06/62/70/546066270.db2.gz OQEOATARHOBKDB-WCVJEAGWSA-N 1 1 325.453 0.175 20 30 ECEDMO C=CCN1CC[C@H](N(C)C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1=O ZINC000337272710 546066274 /nfs/dbraw/zinc/06/62/74/546066274.db2.gz OQEOATARHOBKDB-WCVJEAGWSA-N 1 1 325.453 0.175 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000609680732 546302787 /nfs/dbraw/zinc/30/27/87/546302787.db2.gz BAINWGWCHNGJHR-WMZOPIPTSA-N 1 1 334.416 0.966 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)C[N@H+](C)CCC)C1=O ZINC000620624156 546439490 /nfs/dbraw/zinc/43/94/90/546439490.db2.gz PDXQJCKXXTWAIS-UHFFFAOYSA-N 1 1 338.408 0.200 20 30 ECEDMO C=C[C@@](C)(O)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000667738481 547551356 /nfs/dbraw/zinc/55/13/56/547551356.db2.gz PECRAMIXEHCMPA-GOSISDBHSA-N 1 1 331.416 0.384 20 30 ECEDMO C=C[C@H](O)C(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000667834324 547561210 /nfs/dbraw/zinc/56/12/10/547561210.db2.gz QURYLPPZYWGJEY-HNNXBMFYSA-N 1 1 330.388 0.923 20 30 ECEDMO C=C[C@H](O)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000667834324 547561213 /nfs/dbraw/zinc/56/12/13/547561213.db2.gz QURYLPPZYWGJEY-HNNXBMFYSA-N 1 1 330.388 0.923 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000668680739 547723194 /nfs/dbraw/zinc/72/31/94/547723194.db2.gz YKAQBESKTPCTAG-QGZVFWFLSA-N 1 1 338.496 0.991 20 30 ECEDMO C(#CC[N@H+]1CC[C@@H](n2cncn2)C1)CN1CC[C@@H](n2cncn2)C1 ZINC000671243419 548112063 /nfs/dbraw/zinc/11/20/63/548112063.db2.gz DGPLELGVSMFUNT-HZPDHXFCSA-N 1 1 326.408 0.067 20 30 ECEDMO C[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(C#N)c1 ZINC000678764021 549049491 /nfs/dbraw/zinc/04/94/91/549049491.db2.gz KDZUANDYBPRTND-JTQLQIEISA-N 1 1 341.371 0.071 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000749657912 579340486 /nfs/dbraw/zinc/34/04/86/579340486.db2.gz ZYNXJNBJMZRAFG-UHFFFAOYSA-N 1 1 341.458 0.106 20 30 ECEDMO CC[C@]1(C)NC(=O)N(N=Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000755553322 579435104 /nfs/dbraw/zinc/43/51/04/579435104.db2.gz CGNDPTFJLHYVKS-INIZCTEOSA-N 1 1 345.407 0.283 20 30 ECEDMO CC(C)C[N@H+](CCC#N)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000755669707 579436644 /nfs/dbraw/zinc/43/66/44/579436644.db2.gz KUNBCFXNTIXOCK-UHFFFAOYSA-N 1 1 346.435 0.695 20 30 ECEDMO C#Cc1ccc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000758269075 579469848 /nfs/dbraw/zinc/46/98/48/579469848.db2.gz AQVDURXKMGHPEG-HNNXBMFYSA-N 1 1 335.429 0.254 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cn1 ZINC000728966169 578291980 /nfs/dbraw/zinc/29/19/80/578291980.db2.gz ZCGHSANEQAXSCM-INIZCTEOSA-N 1 1 326.400 0.617 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)N(C)CC(=O)OC)c1 ZINC000732196971 578320867 /nfs/dbraw/zinc/32/08/67/578320867.db2.gz APCRDSUNYHRQBJ-UHFFFAOYSA-N 1 1 345.399 0.560 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)N(C)CC(=O)OC)c1 ZINC000732196971 578320868 /nfs/dbraw/zinc/32/08/68/578320868.db2.gz APCRDSUNYHRQBJ-UHFFFAOYSA-N 1 1 345.399 0.560 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000732467602 578326062 /nfs/dbraw/zinc/32/60/62/578326062.db2.gz WAECXXVOALFAHG-JFVSRZABSA-N 1 1 347.419 0.296 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=S)NCC(N)=O ZINC000734365395 578357360 /nfs/dbraw/zinc/35/73/60/578357360.db2.gz YCRRAYPWMGKCDP-LLVKDONJSA-N 1 1 334.449 0.229 20 30 ECEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000734669203 578365943 /nfs/dbraw/zinc/36/59/43/578365943.db2.gz QTSYKEGKRPTVGK-ZGTROFRASA-N 1 1 349.435 0.496 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000736652977 578443603 /nfs/dbraw/zinc/44/36/03/578443603.db2.gz HICFYTCALPZUDB-AWEZNQCLSA-N 1 1 332.408 0.385 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)CCNC(=O)OC(C)(C)C)C1=O ZINC000794528242 578592327 /nfs/dbraw/zinc/59/23/27/578592327.db2.gz DBZHJWOCGCIOPV-KBPBESRZSA-N 1 1 341.452 0.981 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCO1 ZINC000794833929 578600381 /nfs/dbraw/zinc/60/03/81/578600381.db2.gz SMODWDBRTWGAEB-UKRRQHHQSA-N 1 1 330.388 0.654 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCO1 ZINC000794833929 578600383 /nfs/dbraw/zinc/60/03/83/578600383.db2.gz SMODWDBRTWGAEB-UKRRQHHQSA-N 1 1 330.388 0.654 20 30 ECEDMO O=C1N=C(N=NC2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)NC1=O ZINC000781127273 578705455 /nfs/dbraw/zinc/70/54/55/578705455.db2.gz HNJHIRUIGOUITP-KGLIPLIRSA-N 1 1 339.399 0.877 20 30 ECEDMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCNc1ncccc1C#N ZINC000787758697 578815855 /nfs/dbraw/zinc/81/58/55/578815855.db2.gz IZLUBHCYPUOBMB-UHFFFAOYSA-N 1 1 344.419 0.034 20 30 ECEDMO COc1cccc(C=NNC(=S)NCCC[NH+]2CCOCC2)n1 ZINC000790148400 578868854 /nfs/dbraw/zinc/86/88/54/578868854.db2.gz VLAJPENPRJGKKH-UHFFFAOYSA-N 1 1 337.449 0.611 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc[nH]c(=O)c1 ZINC000790288414 578871409 /nfs/dbraw/zinc/87/14/09/578871409.db2.gz DJPCNMNDCVVVPL-UHFFFAOYSA-N 1 1 337.449 0.698 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000776593360 579285431 /nfs/dbraw/zinc/28/54/31/579285431.db2.gz UELCZBOFSXCEND-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO C[C@@H](CNC(=O)NCCNc1ccc(C#N)cn1)C[NH+]1CCOCC1 ZINC000738971057 579659169 /nfs/dbraw/zinc/65/91/69/579659169.db2.gz RJGVYIZAKPRCNO-AWEZNQCLSA-N 1 1 346.435 0.633 20 30 ECEDMO N#Cc1cc(S(N)(=O)=O)ccc1NCC[NH+]1CCSCC1 ZINC000742407674 579787029 /nfs/dbraw/zinc/78/70/29/579787029.db2.gz UJCMGFQMLNUAJN-UHFFFAOYSA-N 1 1 326.447 0.666 20 30 ECEDMO Cc1ncsc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000743424436 579797773 /nfs/dbraw/zinc/79/77/73/579797773.db2.gz JTMVEOANUISQSB-UHFFFAOYSA-N 1 1 327.479 0.972 20 30 ECEDMO C#CCN1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000746257969 579834419 /nfs/dbraw/zinc/83/44/19/579834419.db2.gz IQKMBGDTLZEMNQ-LJQANCHMSA-N 1 1 327.428 0.401 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000837215881 588945642 /nfs/dbraw/zinc/94/56/42/588945642.db2.gz PKDZCKZIQMMZAA-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000837215881 588945644 /nfs/dbraw/zinc/94/56/44/588945644.db2.gz PKDZCKZIQMMZAA-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837944047 588966424 /nfs/dbraw/zinc/96/64/24/588966424.db2.gz ZNEIQELRASPPLL-DLBZAZTESA-N 1 1 344.411 0.959 20 30 ECEDMO C#CC[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837944047 588966425 /nfs/dbraw/zinc/96/64/25/588966425.db2.gz ZNEIQELRASPPLL-DLBZAZTESA-N 1 1 344.411 0.959 20 30 ECEDMO CCc1ncc(C=NNC(=S)NCCC[NH+]2CCOCC2)cn1 ZINC000841607972 588996422 /nfs/dbraw/zinc/99/64/22/588996422.db2.gz PILQCLYZFQBIEO-UHFFFAOYSA-N 1 1 336.465 0.559 20 30 ECEDMO C#Cc1ccc(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000841908571 589005374 /nfs/dbraw/zinc/00/53/74/589005374.db2.gz QDUJIYSXZIEENB-KRWDZBQOSA-N 1 1 340.427 0.774 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1ncc(Br)cn1 ZINC000895055994 586158354 /nfs/dbraw/zinc/15/83/54/586158354.db2.gz AEFKLLOXHWMZIN-UHFFFAOYSA-N 1 1 340.225 0.993 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)N1CC[NH+](C)CC1 ZINC000891752764 586193980 /nfs/dbraw/zinc/19/39/80/586193980.db2.gz OMRQLCZDRGZRNV-WBVHZDCISA-N 1 1 337.468 0.582 20 30 ECEDMO C#CCC(CC#C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896234312 586228829 /nfs/dbraw/zinc/22/88/29/586228829.db2.gz KBYWBBKRSGFMFX-UHFFFAOYSA-N 1 1 330.432 0.161 20 30 ECEDMO Cc1c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cnn1CCC#N ZINC000896390201 586238772 /nfs/dbraw/zinc/23/87/72/586238772.db2.gz NXTDLJSYWJCWRW-INIZCTEOSA-N 1 1 344.463 0.957 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000867311928 589041898 /nfs/dbraw/zinc/04/18/98/589041898.db2.gz YQRUEXIVAFYYEB-UHFFFAOYSA-N 1 1 345.465 0.480 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000898593929 586435291 /nfs/dbraw/zinc/43/52/91/586435291.db2.gz IDXVONLMSMHSDS-CQSZACIVSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000898593929 586435292 /nfs/dbraw/zinc/43/52/92/586435292.db2.gz IDXVONLMSMHSDS-CQSZACIVSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CCN1C(=O)C[C@H]([N@@H+]2CCCN(c3ccccc3OC)CC2)C1=O ZINC000899255823 586478646 /nfs/dbraw/zinc/47/86/46/586478646.db2.gz PYRNZNMESZAHIX-INIZCTEOSA-N 1 1 341.411 0.968 20 30 ECEDMO C#CCN1C(=O)C[C@H]([N@H+]2CCCN(c3ccccc3OC)CC2)C1=O ZINC000899255823 586478648 /nfs/dbraw/zinc/47/86/48/586478648.db2.gz PYRNZNMESZAHIX-INIZCTEOSA-N 1 1 341.411 0.968 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000900673568 586654565 /nfs/dbraw/zinc/65/45/65/586654565.db2.gz UQMIWRAADVGGCG-GOEBONIOSA-N 1 1 348.447 0.460 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000900673568 586654566 /nfs/dbraw/zinc/65/45/66/586654566.db2.gz UQMIWRAADVGGCG-GOEBONIOSA-N 1 1 348.447 0.460 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CCO[C@@]12CCOC2 ZINC000901137879 586697361 /nfs/dbraw/zinc/69/73/61/586697361.db2.gz DJLYAJVGZBZEMZ-OAHLLOKOSA-N 1 1 342.465 0.108 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000838396591 586808426 /nfs/dbraw/zinc/80/84/26/586808426.db2.gz YAHKMUOLWSUQNS-ZDUSSCGKSA-N 1 1 330.388 0.971 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000839527450 586861573 /nfs/dbraw/zinc/86/15/73/586861573.db2.gz JFDPZCJOAOLJSW-INIZCTEOSA-N 1 1 337.445 0.195 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cc(CC)[nH]n2)CC1 ZINC000804895770 586861822 /nfs/dbraw/zinc/86/18/22/586861822.db2.gz PCADPAJYGIZGHC-UHFFFAOYSA-N 1 1 333.436 0.745 20 30 ECEDMO C=C(C)CNC(=S)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000905556170 586900838 /nfs/dbraw/zinc/90/08/38/586900838.db2.gz QAKMLIOOUAAHRB-OAHLLOKOSA-N 1 1 326.510 0.823 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000906713605 586970013 /nfs/dbraw/zinc/97/00/13/586970013.db2.gz BFBQEBYKBFKGDU-ULQDDVLXSA-N 1 1 337.464 0.490 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000906845477 586987547 /nfs/dbraw/zinc/98/75/47/586987547.db2.gz MMNZNMQIOLBXLJ-UHFFFAOYSA-N 1 1 335.429 0.110 20 30 ECEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000907387560 587039562 /nfs/dbraw/zinc/03/95/62/587039562.db2.gz BWTFAQIGAUJASD-UHFFFAOYSA-N 1 1 337.449 0.259 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCC[NH+]1CCOCC1 ZINC000803510695 587062359 /nfs/dbraw/zinc/06/23/59/587062359.db2.gz NLXNTVQBJJMBIC-CYBMUJFWSA-N 1 1 341.408 0.432 20 30 ECEDMO CC[C@@](C)(C#N)C(=O)OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000803782432 587069069 /nfs/dbraw/zinc/06/90/69/587069069.db2.gz LZEXJUGGTJORCN-YOEHRIQHSA-N 1 1 339.436 0.942 20 30 ECEDMO C#CCCCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000806914796 587111457 /nfs/dbraw/zinc/11/14/57/587111457.db2.gz ZTFQIWRXHAYDIE-KRWDZBQOSA-N 1 1 343.427 0.399 20 30 ECEDMO NS(=O)(=O)c1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)ccc1F ZINC000807979781 587141018 /nfs/dbraw/zinc/14/10/18/587141018.db2.gz XSJXDUBANYDFAU-VXGBXAGGSA-N 1 1 339.396 0.667 20 30 ECEDMO CON=CC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000809616446 587181211 /nfs/dbraw/zinc/18/12/11/587181211.db2.gz XXDKABRYTBUGBQ-UHFFFAOYSA-N 1 1 348.403 0.596 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@H](C3CCC3)C2)c1=O ZINC000840189245 587186444 /nfs/dbraw/zinc/18/64/44/587186444.db2.gz PFSZKPGLJPQPNI-HNNXBMFYSA-N 1 1 346.431 0.623 20 30 ECEDMO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000819230227 587473133 /nfs/dbraw/zinc/47/31/33/587473133.db2.gz SSBAWPYVYLRQCF-MELADBBJSA-N 1 1 335.408 0.593 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cn1 ZINC000822550665 587665661 /nfs/dbraw/zinc/66/56/61/587665661.db2.gz HECLWANUPUWAQM-DLBZAZTESA-N 1 1 341.415 0.465 20 30 ECEDMO C#C[C@H](NC(=O)NC1CC[NH+](CC(=O)NC)CC1)c1ccccc1 ZINC000825633287 587954211 /nfs/dbraw/zinc/95/42/11/587954211.db2.gz SAPMNIHRALWUPJ-INIZCTEOSA-N 1 1 328.416 0.871 20 30 ECEDMO N#CCCN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826382236 588037124 /nfs/dbraw/zinc/03/71/24/588037124.db2.gz UZFRDCHRFXODNQ-OAHLLOKOSA-N 1 1 327.392 0.431 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000827276251 588109875 /nfs/dbraw/zinc/10/98/75/588109875.db2.gz BVWTZSYIAVJGDI-JKSUJKDBSA-N 1 1 326.400 0.841 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC(C#N)(C(=O)OC)CC2)CC1 ZINC000831686979 588441749 /nfs/dbraw/zinc/44/17/49/588441749.db2.gz FNZNMOFJTJAFTO-CQSZACIVSA-N 1 1 336.436 0.318 20 30 ECEDMO C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367805 589109430 /nfs/dbraw/zinc/10/94/30/589109430.db2.gz PKPQYFSLKANCAZ-CQSZACIVSA-N 1 1 330.388 0.854 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1 ZINC000845003957 589127945 /nfs/dbraw/zinc/12/79/45/589127945.db2.gz QJJJIBLHCWTOFL-IRXDYDNUSA-N 1 1 346.431 0.954 20 30 ECEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccncc1 ZINC000848932857 589316309 /nfs/dbraw/zinc/31/63/09/589316309.db2.gz CNRYHUBGGSTULI-ARFHVFGLSA-N 1 1 344.415 0.092 20 30 ECEDMO Cc1[nH]nc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1C#N ZINC000849611814 589343383 /nfs/dbraw/zinc/34/33/83/589343383.db2.gz BOLVGRVRJRFTEP-TZMCWYRMSA-N 1 1 327.392 0.997 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000850459842 589367216 /nfs/dbraw/zinc/36/72/16/589367216.db2.gz HVPRPZIFUJKOEQ-UHFFFAOYSA-N 1 1 327.388 0.653 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCC1(S(C)(=O)=O)CCCCC1 ZINC000852359796 589492169 /nfs/dbraw/zinc/49/21/69/589492169.db2.gz NUEXZFRXIKUJMQ-UHFFFAOYSA-N 1 1 343.493 0.988 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC1(S(C)(=O)=O)CCCCC1 ZINC000852359796 589492170 /nfs/dbraw/zinc/49/21/70/589492170.db2.gz NUEXZFRXIKUJMQ-UHFFFAOYSA-N 1 1 343.493 0.988 20 30 ECEDMO C#CCCN(CCOC)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000853711649 589556148 /nfs/dbraw/zinc/55/61/48/589556148.db2.gz YMMPSIOGDYDAHO-UHFFFAOYSA-N 1 1 338.452 0.220 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)CC1 ZINC000854056696 589569753 /nfs/dbraw/zinc/56/97/53/589569753.db2.gz QRWRIGUYBQHJQR-UHFFFAOYSA-N 1 1 329.448 0.571 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)CC1 ZINC000854056696 589569755 /nfs/dbraw/zinc/56/97/55/589569755.db2.gz QRWRIGUYBQHJQR-UHFFFAOYSA-N 1 1 329.448 0.571 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000855404424 589629004 /nfs/dbraw/zinc/62/90/04/589629004.db2.gz VLQFIIPPXLCFRU-OALUTQOASA-N 1 1 341.455 0.967 20 30 ECEDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(CC(=O)NCC#N)C2)ccn1 ZINC000856592509 589667807 /nfs/dbraw/zinc/66/78/07/589667807.db2.gz UXNMAOGXBDEBRK-MRXNPFEDSA-N 1 1 331.420 0.626 20 30 ECEDMO Cn1nccc1[C@H](O)C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000856795473 589675825 /nfs/dbraw/zinc/67/58/25/589675825.db2.gz GSACFUFDKMENCI-MRXNPFEDSA-N 1 1 331.420 0.728 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC([C@H](O)c2ccnn2C)CC1 ZINC000856801347 589676117 /nfs/dbraw/zinc/67/61/17/589676117.db2.gz OIKAOIUYUWQDBG-KRWDZBQOSA-N 1 1 333.436 0.928 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000856907659 589679222 /nfs/dbraw/zinc/67/92/22/589679222.db2.gz CSQBDLNEFMJQKO-QGZVFWFLSA-N 1 1 347.463 0.830 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000866675582 589757405 /nfs/dbraw/zinc/75/74/05/589757405.db2.gz OMYMACRLKCNXQY-GJZGRUSLSA-N 1 1 335.429 0.894 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccnc(N2CCOCC2)n1 ZINC000860530151 589780175 /nfs/dbraw/zinc/78/01/75/589780175.db2.gz RAMVHMNYJSUAKO-CQSZACIVSA-N 1 1 330.388 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccnc(N2CCOCC2)n1 ZINC000860530151 589780178 /nfs/dbraw/zinc/78/01/78/589780178.db2.gz RAMVHMNYJSUAKO-CQSZACIVSA-N 1 1 330.388 0.568 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCS(=O)(=O)CC1CC1 ZINC000867927950 589863671 /nfs/dbraw/zinc/86/36/71/589863671.db2.gz SGCKDDNVVGGBIN-MRXNPFEDSA-N 1 1 347.440 0.686 20 30 ECEDMO C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867947329 589864602 /nfs/dbraw/zinc/86/46/02/589864602.db2.gz CTSYTQXBFQEMOC-IAQYHMDHSA-N 1 1 335.429 0.637 20 30 ECEDMO N#CCn1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cn1 ZINC000862092236 589919836 /nfs/dbraw/zinc/91/98/36/589919836.db2.gz UMVAIYSPCMLBAQ-CQSZACIVSA-N 1 1 330.392 0.478 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)Nc2cc(CC#N)ccn2)CC[N@@H+](C)C1 ZINC000871733809 590085761 /nfs/dbraw/zinc/08/57/61/590085761.db2.gz OHKNNWLKOIKLJU-CYBMUJFWSA-N 1 1 331.376 0.716 20 30 ECEDMO C#CCNC(=O)[C@H](C)O[NH+]=C(N)[C@H]1CCC(=O)N(CC2CCC2)C1 ZINC000871773660 590086746 /nfs/dbraw/zinc/08/67/46/590086746.db2.gz ZGGLVBPEHMKHQZ-JSGCOSHPSA-N 1 1 334.420 0.661 20 30 ECEDMO C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000872931263 590175472 /nfs/dbraw/zinc/17/54/72/590175472.db2.gz ZJAWPCXVJHYKKZ-KZNAEPCWSA-N 1 1 348.491 0.884 20 30 ECEDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000874832878 590253893 /nfs/dbraw/zinc/25/38/93/590253893.db2.gz HYBHIMKKRHZJRJ-CVEARBPZSA-N 1 1 326.400 0.983 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000875398393 590298776 /nfs/dbraw/zinc/29/87/76/590298776.db2.gz KZJRXNMBCCEWCY-IAGOWNOFSA-N 1 1 325.412 0.837 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879482165 590314417 /nfs/dbraw/zinc/31/44/17/590314417.db2.gz OGMJDWCTUCGOIC-SUMWQHHRSA-N 1 1 335.404 0.969 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879482165 590314419 /nfs/dbraw/zinc/31/44/19/590314419.db2.gz OGMJDWCTUCGOIC-SUMWQHHRSA-N 1 1 335.404 0.969 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)CC[C@@H]21 ZINC000879580080 590325436 /nfs/dbraw/zinc/32/54/36/590325436.db2.gz RDPQWQUQJLDRAC-GJZGRUSLSA-N 1 1 334.445 0.753 20 30 ECEDMO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000876512312 590383917 /nfs/dbraw/zinc/38/39/17/590383917.db2.gz LKAOTQGKZHSNHT-CHWSQXEVSA-N 1 1 328.844 0.127 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000880477757 590395378 /nfs/dbraw/zinc/39/53/78/590395378.db2.gz NBHZFCXFFNZOQP-OAHLLOKOSA-N 1 1 344.411 0.793 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000880613254 590411447 /nfs/dbraw/zinc/41/14/47/590411447.db2.gz RICCPWDTGRIKPM-UHFFFAOYSA-N 1 1 326.422 0.866 20 30 ECEDMO CCS(=O)(=O)CCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877224280 590445764 /nfs/dbraw/zinc/44/57/64/590445764.db2.gz GVRBPULPAWPSIV-HNNXBMFYSA-N 1 1 335.429 0.686 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)cc1 ZINC000882481745 590553959 /nfs/dbraw/zinc/55/39/59/590553959.db2.gz UVKWWKXAOVFGNU-AWEZNQCLSA-N 1 1 337.445 0.975 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879271911 590575749 /nfs/dbraw/zinc/57/57/49/590575749.db2.gz ZUMUCRHOWNIILM-HZPDHXFCSA-N 1 1 328.416 0.630 20 30 ECEDMO C[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000130694320 590600889 /nfs/dbraw/zinc/60/08/89/590600889.db2.gz WQWVGQUCADGVGE-QGZVFWFLSA-N 1 1 333.480 0.766 20 30 ECEDMO C=C(C)C[C@H](CO)NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000883459698 590619338 /nfs/dbraw/zinc/61/93/38/590619338.db2.gz FXYIGGWSGFGBJK-HZPDHXFCSA-N 1 1 326.485 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2ccccc2)C1 ZINC000884047388 590717151 /nfs/dbraw/zinc/71/71/51/590717151.db2.gz QOGHEMYRWNLLCM-MRXNPFEDSA-N 1 1 328.416 0.813 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2ccccc2)C1 ZINC000884047388 590717152 /nfs/dbraw/zinc/71/71/52/590717152.db2.gz QOGHEMYRWNLLCM-MRXNPFEDSA-N 1 1 328.416 0.813 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)CC1 ZINC000884131789 590750184 /nfs/dbraw/zinc/75/01/84/590750184.db2.gz VKYVTFXPOXBHJD-OCCSQVGLSA-N 1 1 329.466 0.759 20 30 ECEDMO COCC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000886089921 590793457 /nfs/dbraw/zinc/79/34/57/590793457.db2.gz MNDWDZSDTRRZCJ-ZIAGYGMSSA-N 1 1 330.450 0.567 20 30 ECEDMO COCC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000886089921 590793461 /nfs/dbraw/zinc/79/34/61/590793461.db2.gz MNDWDZSDTRRZCJ-ZIAGYGMSSA-N 1 1 330.450 0.567 20 30 ECEDMO C=CCC1(O)CC[NH+](CC2=C(C(=O)OCC)[C@H](C)NC(=O)N2)CC1 ZINC000886755685 590880015 /nfs/dbraw/zinc/88/00/15/590880015.db2.gz PGLZWNJBOAAUSJ-LBPRGKRZSA-N 1 1 337.420 0.908 20 30 ECEDMO N#Cc1ccc(NCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)nc1 ZINC000889760035 591085725 /nfs/dbraw/zinc/08/57/25/591085725.db2.gz AQEXIXFDKIIXQZ-CABCVRRESA-N 1 1 329.404 0.423 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(CC#N)n2)C[N@H+]1C1CC1 ZINC000890002040 591117949 /nfs/dbraw/zinc/11/79/49/591117949.db2.gz AQIKIVJXKKCYFU-YPMHNXCESA-N 1 1 327.388 0.828 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(Cc3nccn3C)CC2)C1 ZINC000890373038 591154903 /nfs/dbraw/zinc/15/49/03/591154903.db2.gz PGLUWDLHDBUYCM-INIZCTEOSA-N 1 1 344.463 0.345 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(Cc3nccn3C)CC2)C1 ZINC000890373038 591154906 /nfs/dbraw/zinc/15/49/06/591154906.db2.gz PGLUWDLHDBUYCM-INIZCTEOSA-N 1 1 344.463 0.345 20 30 ECEDMO CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)CC[C@@H]3C2)C1=O ZINC000946586337 611355363 /nfs/dbraw/zinc/35/53/63/611355363.db2.gz CYJQUEKUSWKPBI-BBWFWOEESA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC000922629464 611356555 /nfs/dbraw/zinc/35/65/55/611356555.db2.gz KWONEQZJECKVNZ-UHFFFAOYSA-N 1 1 339.436 0.289 20 30 ECEDMO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1cc(C#N)ccc1Br ZINC000922822351 611362018 /nfs/dbraw/zinc/36/20/18/611362018.db2.gz FQLOLTJSRXIOEV-NSHDSACASA-N 1 1 347.234 0.816 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@H]2CN(CC#N)C[C@H]2CC1 ZINC000946623956 611370867 /nfs/dbraw/zinc/37/08/67/611370867.db2.gz WFUROMSAEABXOX-IXDOHACOSA-N 1 1 344.463 0.507 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@@H]2C1 ZINC000946664076 611400806 /nfs/dbraw/zinc/40/08/06/611400806.db2.gz JADIMPIJRFSWMB-GASCZTMLSA-N 1 1 344.415 0.143 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C#N)cc2OC)CC1 ZINC000930127945 611394364 /nfs/dbraw/zinc/39/43/64/611394364.db2.gz WLACYMYAXBPDNN-UHFFFAOYSA-N 1 1 330.388 0.507 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930820991 611468571 /nfs/dbraw/zinc/46/85/71/611468571.db2.gz JGPLMGUMDOEIEI-STQMWFEESA-N 1 1 338.477 0.738 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930820991 611468572 /nfs/dbraw/zinc/46/85/72/611468572.db2.gz JGPLMGUMDOEIEI-STQMWFEESA-N 1 1 338.477 0.738 20 30 ECEDMO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000946775092 611468832 /nfs/dbraw/zinc/46/88/32/611468832.db2.gz AYLJMCRVVUOCKV-FVQBIDKESA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)CC[C@@H]2C1 ZINC000946793025 611483624 /nfs/dbraw/zinc/48/36/24/611483624.db2.gz ZEJDCORFVXANJT-GASCZTMLSA-N 1 1 342.443 0.768 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000946796346 611485350 /nfs/dbraw/zinc/48/53/50/611485350.db2.gz GRTZASUVMRRIGB-ZDUSSCGKSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000931142723 611510652 /nfs/dbraw/zinc/51/06/52/611510652.db2.gz CXHXQCGEAHVURY-UHFFFAOYSA-N 1 1 346.427 0.823 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000931405000 611537456 /nfs/dbraw/zinc/53/74/56/611537456.db2.gz DSZLOMVWVYQCFL-NVXWUHKLSA-N 1 1 330.432 0.930 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931405000 611537458 /nfs/dbraw/zinc/53/74/58/611537458.db2.gz DSZLOMVWVYQCFL-NVXWUHKLSA-N 1 1 330.432 0.930 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C ZINC000947441328 611539367 /nfs/dbraw/zinc/53/93/67/611539367.db2.gz IKAJSUHQURPZFD-TZMCWYRMSA-N 1 1 326.462 0.966 20 30 ECEDMO COC1(OC)CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H]1O ZINC000931631183 611558368 /nfs/dbraw/zinc/55/83/68/611558368.db2.gz CFWRQVVJKFLNHH-HOCLYGCPSA-N 1 1 336.388 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2nnn(C(C)(C)C)n2)CC1 ZINC000948404908 611572368 /nfs/dbraw/zinc/57/23/68/611572368.db2.gz MRWUCDCVGFREMZ-AWEZNQCLSA-N 1 1 332.452 0.917 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948458390 611605725 /nfs/dbraw/zinc/60/57/25/611605725.db2.gz ORCLZXUOHHLHBM-LALPHHSUSA-N 1 1 329.404 0.415 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC#Cc1ccccc1 ZINC000947032311 611620324 /nfs/dbraw/zinc/62/03/24/611620324.db2.gz MSTOEBOEAGQYPN-RDJZCZTQSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1C#N ZINC000947035635 611639288 /nfs/dbraw/zinc/63/92/88/611639288.db2.gz DHLUGMJRHLZLLI-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000936419675 608602400 /nfs/dbraw/zinc/60/24/00/608602400.db2.gz CJLMSPOTLNALSK-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000936419675 608602402 /nfs/dbraw/zinc/60/24/02/608602402.db2.gz CJLMSPOTLNALSK-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000937340743 608604073 /nfs/dbraw/zinc/60/40/73/608604073.db2.gz NMTWCRALIGTNCJ-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000937340743 608604074 /nfs/dbraw/zinc/60/40/74/608604074.db2.gz NMTWCRALIGTNCJ-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000949292039 608615108 /nfs/dbraw/zinc/61/51/08/608615108.db2.gz BAGLHTPVUPWODJ-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC000949385868 608663804 /nfs/dbraw/zinc/66/38/04/608663804.db2.gz FVEUOFCPZVACNB-UHFFFAOYSA-N 1 1 332.404 0.769 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC000949385868 608663807 /nfs/dbraw/zinc/66/38/07/608663807.db2.gz FVEUOFCPZVACNB-UHFFFAOYSA-N 1 1 332.404 0.769 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC000949391731 608666500 /nfs/dbraw/zinc/66/65/00/608666500.db2.gz UTQSJUZUOBKIMQ-UHFFFAOYSA-N 1 1 330.388 0.513 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3COCCN3CC)CC2)C1 ZINC000949402379 608670050 /nfs/dbraw/zinc/67/00/50/608670050.db2.gz XUYNYMXZIKPPAH-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3COCCN3CC)CC2)C1 ZINC000949402379 608670052 /nfs/dbraw/zinc/67/00/52/608670052.db2.gz XUYNYMXZIKPPAH-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C ZINC000947441299 608711397 /nfs/dbraw/zinc/71/13/97/608711397.db2.gz HXUMMVXQWOEKHT-UKRRQHHQSA-N 1 1 338.473 0.804 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@H]2CO)CC1 ZINC000934017960 608788119 /nfs/dbraw/zinc/78/81/19/608788119.db2.gz UZTPFOAFZGVPNI-KBPBESRZSA-N 1 1 334.445 0.524 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H]2CO)CC1 ZINC000934017960 608788121 /nfs/dbraw/zinc/78/81/21/608788121.db2.gz UZTPFOAFZGVPNI-KBPBESRZSA-N 1 1 334.445 0.524 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000936597416 608848993 /nfs/dbraw/zinc/84/89/93/608848993.db2.gz ZQDXPEAYGWXNBK-HOTGVXAUSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000936597416 608848996 /nfs/dbraw/zinc/84/89/96/608848996.db2.gz ZQDXPEAYGWXNBK-HOTGVXAUSA-N 1 1 343.431 0.191 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@@H]1C ZINC000947524270 608858664 /nfs/dbraw/zinc/85/86/64/608858664.db2.gz QYQLJWPEWFVDSS-UONOGXRCSA-N 1 1 334.420 0.658 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C[C@@H]1C ZINC000947547454 608885089 /nfs/dbraw/zinc/88/50/89/608885089.db2.gz RFFIRNLKYNQFBC-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000162079338 608900572 /nfs/dbraw/zinc/90/05/72/608900572.db2.gz DWNPFABHKRHEGS-UHFFFAOYSA-N 1 1 334.351 0.831 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947204819 608918086 /nfs/dbraw/zinc/91/80/86/608918086.db2.gz HFANVJFWCIAMJO-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CN(C(=O)NCC#CCO)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000923780230 608936112 /nfs/dbraw/zinc/93/61/12/608936112.db2.gz JFNWQEIDTAQDOM-WBVHZDCISA-N 1 1 331.416 0.431 20 30 ECEDMO C[C@@H]1CN(C(=O)NCC#CCO)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000923780230 608936115 /nfs/dbraw/zinc/93/61/15/608936115.db2.gz JFNWQEIDTAQDOM-WBVHZDCISA-N 1 1 331.416 0.431 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccccc1C#N ZINC000947309575 608947654 /nfs/dbraw/zinc/94/76/54/608947654.db2.gz FVKGEDLVFLWAER-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N([C@H]2CCC[N@H+]3CCSC[C@H]23)C1=O ZINC000929013288 608984295 /nfs/dbraw/zinc/98/42/95/608984295.db2.gz UAGZQYWYYGWOPV-RWMBFGLXSA-N 1 1 325.434 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000937154823 609004875 /nfs/dbraw/zinc/00/48/75/609004875.db2.gz SDOJQNCFANIKMJ-IRXDYDNUSA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000937154823 609004879 /nfs/dbraw/zinc/00/48/79/609004879.db2.gz SDOJQNCFANIKMJ-IRXDYDNUSA-N 1 1 342.443 0.796 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937181597 609020829 /nfs/dbraw/zinc/02/08/29/609020829.db2.gz PSHKQUSPELWAEC-CQSZACIVSA-N 1 1 340.387 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000937721877 609043141 /nfs/dbraw/zinc/04/31/41/609043141.db2.gz KNGMLWGNLVWPJM-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000937721877 609043144 /nfs/dbraw/zinc/04/31/44/609043144.db2.gz KNGMLWGNLVWPJM-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000937780909 609073438 /nfs/dbraw/zinc/07/34/38/609073438.db2.gz YWXRRQXDSUYKLT-QWHCGFSZSA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000937780909 609073441 /nfs/dbraw/zinc/07/34/41/609073441.db2.gz YWXRRQXDSUYKLT-QWHCGFSZSA-N 1 1 343.855 0.813 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000928458729 611691376 /nfs/dbraw/zinc/69/13/76/611691376.db2.gz XWCNQWVVKUUIPF-DOMZBBRYSA-N 1 1 337.445 0.973 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC000937971158 609442724 /nfs/dbraw/zinc/44/27/24/609442724.db2.gz QNSACMDOHXPINF-KBPBESRZSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000938170061 609481423 /nfs/dbraw/zinc/48/14/23/609481423.db2.gz CIVFNAUPRRVJJH-IKGGRYGDSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CCn1cc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)cn1 ZINC000907791713 609622536 /nfs/dbraw/zinc/62/25/36/609622536.db2.gz VJLDDKALDNZTCS-HNNXBMFYSA-N 1 1 332.404 0.408 20 30 ECEDMO C#CCn1cc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)cn1 ZINC000907791713 609622538 /nfs/dbraw/zinc/62/25/38/609622538.db2.gz VJLDDKALDNZTCS-HNNXBMFYSA-N 1 1 332.404 0.408 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cn1 ZINC000908006272 609635376 /nfs/dbraw/zinc/63/53/76/609635376.db2.gz CTRNTRDQOLOIHH-LSDHHAIUSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cn1 ZINC000908006272 609635377 /nfs/dbraw/zinc/63/53/77/609635377.db2.gz CTRNTRDQOLOIHH-LSDHHAIUSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cn1 ZINC000908006267 609635387 /nfs/dbraw/zinc/63/53/87/609635387.db2.gz CTRNTRDQOLOIHH-CABCVRRESA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cn1 ZINC000908006267 609635388 /nfs/dbraw/zinc/63/53/88/609635388.db2.gz CTRNTRDQOLOIHH-CABCVRRESA-N 1 1 336.417 0.173 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000908011637 609636977 /nfs/dbraw/zinc/63/69/77/609636977.db2.gz KDAXGLQUZXUILU-DLBZAZTESA-N 1 1 334.441 0.888 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000908011637 609636979 /nfs/dbraw/zinc/63/69/79/609636979.db2.gz KDAXGLQUZXUILU-DLBZAZTESA-N 1 1 334.441 0.888 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)o1 ZINC000908016588 609637817 /nfs/dbraw/zinc/63/78/17/609637817.db2.gz XPEJDVHTSGVVPZ-QWHCGFSZSA-N 1 1 325.390 0.371 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)o1 ZINC000908016588 609637819 /nfs/dbraw/zinc/63/78/19/609637819.db2.gz XPEJDVHTSGVVPZ-QWHCGFSZSA-N 1 1 325.390 0.371 20 30 ECEDMO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC#CCN(C)C)CC1=O ZINC000913518698 609685123 /nfs/dbraw/zinc/68/51/23/609685123.db2.gz XNXOOQPCQOUHQT-JKSUJKDBSA-N 1 1 334.464 0.000 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC#CCN(C)C)CC1=O ZINC000913518698 609685124 /nfs/dbraw/zinc/68/51/24/609685124.db2.gz XNXOOQPCQOUHQT-JKSUJKDBSA-N 1 1 334.464 0.000 20 30 ECEDMO C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H](C)N1CC#N ZINC000921364663 609707481 /nfs/dbraw/zinc/70/74/81/609707481.db2.gz ORJCGVKLOIHRPN-CHWSQXEVSA-N 1 1 333.440 0.614 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)cn2C)CC1 ZINC000921436213 609716335 /nfs/dbraw/zinc/71/63/35/609716335.db2.gz QJLRXVMGZMUKAI-UHFFFAOYSA-N 1 1 339.417 0.188 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)nnn3C)CC1 ZINC000921437174 609716639 /nfs/dbraw/zinc/71/66/39/609716639.db2.gz OPAIESBDBDVUQW-UHFFFAOYSA-N 1 1 333.417 0.344 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000921437973 609716697 /nfs/dbraw/zinc/71/66/97/609716697.db2.gz MMFWCSFJSVZJRM-UHFFFAOYSA-N 1 1 332.376 0.524 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cccc(C(=O)OC)c2)CC1 ZINC000921439592 609717115 /nfs/dbraw/zinc/71/71/15/609717115.db2.gz FEQZJEANIXBPGE-UHFFFAOYSA-N 1 1 336.413 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC000910403094 609718851 /nfs/dbraw/zinc/71/88/51/609718851.db2.gz LOYSQCOZEWJNCF-HNNXBMFYSA-N 1 1 339.461 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC000910403094 609718853 /nfs/dbraw/zinc/71/88/53/609718853.db2.gz LOYSQCOZEWJNCF-HNNXBMFYSA-N 1 1 339.461 0.111 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C2)CC1 ZINC000948071396 609721425 /nfs/dbraw/zinc/72/14/25/609721425.db2.gz XTADKAOFNOWEEN-DOTOQJQBSA-N 1 1 348.491 0.389 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2C(=O)NC(CC)(CC)C2=O)CC1 ZINC000064443000 609721556 /nfs/dbraw/zinc/72/15/56/609721556.db2.gz XKHFSDXPRCVHDA-UHFFFAOYSA-N 1 1 334.420 0.265 20 30 ECEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000045890105 609723572 /nfs/dbraw/zinc/72/35/72/609723572.db2.gz CXFCUIDVYWXATH-GFCCVEGCSA-N 1 1 330.388 0.391 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000938320943 609734561 /nfs/dbraw/zinc/73/45/61/609734561.db2.gz GGHIUSUUVRKGIJ-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000938370647 609758117 /nfs/dbraw/zinc/75/81/17/609758117.db2.gz IXQQBXFSGFLRPA-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000948848811 609768476 /nfs/dbraw/zinc/76/84/76/609768476.db2.gz GZQSIZAHZSJKKY-HUUCEWRRSA-N 1 1 343.493 0.909 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C[C@@H]1C ZINC000948031571 609775701 /nfs/dbraw/zinc/77/57/01/609775701.db2.gz MORWZZKYMBFUQX-GJZGRUSLSA-N 1 1 343.493 0.262 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C[C@H]1C ZINC000948036211 609778838 /nfs/dbraw/zinc/77/88/38/609778838.db2.gz PEBMCKIEKYRFMT-ZIAGYGMSSA-N 1 1 326.404 0.659 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000923595208 609780625 /nfs/dbraw/zinc/78/06/25/609780625.db2.gz RNRWYBCSYPIMEZ-CQSZACIVSA-N 1 1 343.383 0.359 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000923595208 609780627 /nfs/dbraw/zinc/78/06/27/609780627.db2.gz RNRWYBCSYPIMEZ-CQSZACIVSA-N 1 1 343.383 0.359 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncccc2F)C1 ZINC000938527929 609843440 /nfs/dbraw/zinc/84/34/40/609843440.db2.gz RWQMCKZFDQPHJM-ZFWWWQNUSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncccc2F)C1 ZINC000938527929 609843442 /nfs/dbraw/zinc/84/34/42/609843442.db2.gz RWQMCKZFDQPHJM-ZFWWWQNUSA-N 1 1 344.390 0.649 20 30 ECEDMO Cc1ccc(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1C#N ZINC000914064761 609848616 /nfs/dbraw/zinc/84/86/16/609848616.db2.gz SXNRXGYSBYIYLY-UHFFFAOYSA-N 1 1 343.431 0.830 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000938541764 609849702 /nfs/dbraw/zinc/84/97/02/609849702.db2.gz ARWYGXSYRGDVEU-JSGCOSHPSA-N 1 1 338.371 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000938533859 609852663 /nfs/dbraw/zinc/85/26/63/609852663.db2.gz QGECETIGRHHVLQ-MPGHIAIKSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000938533859 609852665 /nfs/dbraw/zinc/85/26/65/609852665.db2.gz QGECETIGRHHVLQ-MPGHIAIKSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000914112421 609854305 /nfs/dbraw/zinc/85/43/05/609854305.db2.gz KORQWZDTAZWTTJ-IRXDYDNUSA-N 1 1 344.459 0.881 20 30 ECEDMO O=S1(=O)CC[C@H](N[NH+]=Cc2ccc(N3CCOCC3)s2)C1 ZINC000916239179 609935206 /nfs/dbraw/zinc/93/52/06/609935206.db2.gz OWANDZHYCLEOFE-NSHDSACASA-N 1 1 329.447 0.695 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000938697718 609947118 /nfs/dbraw/zinc/94/71/18/609947118.db2.gz WOTOZROFWJDLTM-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC000938705563 609953791 /nfs/dbraw/zinc/95/37/91/609953791.db2.gz TZNOHEOTTFMRND-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2csnn2)C1 ZINC000938754727 609973213 /nfs/dbraw/zinc/97/32/13/609973213.db2.gz NEPYQYADSLRDNU-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2csnn2)C1 ZINC000938754727 609973215 /nfs/dbraw/zinc/97/32/15/609973215.db2.gz NEPYQYADSLRDNU-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2[nH]cnc2C)C1 ZINC000938754686 609973337 /nfs/dbraw/zinc/97/33/37/609973337.db2.gz LXHFBUKCMHROBA-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2[nH]cnc2C)C1 ZINC000938754686 609973339 /nfs/dbraw/zinc/97/33/39/609973339.db2.gz LXHFBUKCMHROBA-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000917632887 609980197 /nfs/dbraw/zinc/98/01/97/609980197.db2.gz DRNSOOIAPHOAAH-HUUCEWRRSA-N 1 1 331.420 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC000938756757 609982787 /nfs/dbraw/zinc/98/27/87/609982787.db2.gz XBDBQRDGTQCYIE-CVEARBPZSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC000938756757 609982791 /nfs/dbraw/zinc/98/27/91/609982791.db2.gz XBDBQRDGTQCYIE-CVEARBPZSA-N 1 1 343.431 0.040 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938878605 610008752 /nfs/dbraw/zinc/00/87/52/610008752.db2.gz OBPQXPZWCKOUJL-AWEZNQCLSA-N 1 1 340.387 0.764 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000938828283 610027760 /nfs/dbraw/zinc/02/77/60/610027760.db2.gz IOAJIGFOVQUUNV-AWEZNQCLSA-N 1 1 343.431 0.949 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1C#N ZINC000919321634 610040715 /nfs/dbraw/zinc/04/07/15/610040715.db2.gz QTGLTSYCCMIDCZ-UHFFFAOYSA-N 1 1 342.446 0.014 20 30 ECEDMO C[N@@H+]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C(C)(C)C ZINC000919597568 610050866 /nfs/dbraw/zinc/05/08/66/610050866.db2.gz KEPYCEDCCCWFJJ-STQMWFEESA-N 1 1 330.454 0.118 20 30 ECEDMO C[N@H+]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C(C)(C)C ZINC000919597568 610050868 /nfs/dbraw/zinc/05/08/68/610050868.db2.gz KEPYCEDCCCWFJJ-STQMWFEESA-N 1 1 330.454 0.118 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000939700099 610091589 /nfs/dbraw/zinc/09/15/89/610091589.db2.gz PRWMTGHNIXHTIV-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000939812825 610137655 /nfs/dbraw/zinc/13/76/55/610137655.db2.gz RUDSQUYVYUPMJP-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000939812825 610137656 /nfs/dbraw/zinc/13/76/56/610137656.db2.gz RUDSQUYVYUPMJP-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000939406539 610192674 /nfs/dbraw/zinc/19/26/74/610192674.db2.gz QVRYKDDGARAIDL-RYUDHWBXSA-N 1 1 333.392 0.569 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3cnn(CC)n3)[C@@H](C)C2)cn1 ZINC000939567060 610239854 /nfs/dbraw/zinc/23/98/54/610239854.db2.gz HEKUMQCFYDKBGS-GUYCJALGSA-N 1 1 338.415 0.925 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3CC)C2)cn1 ZINC000939568428 610239944 /nfs/dbraw/zinc/23/99/44/610239944.db2.gz UBGOLDYYHKKTNR-CZUORRHYSA-N 1 1 338.415 0.925 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccnn3C(F)F)CC2)C1 ZINC000941422220 610307595 /nfs/dbraw/zinc/30/75/95/610307595.db2.gz IZJKCNVZGGOPTD-UHFFFAOYSA-N 1 1 325.363 0.906 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431227 610312220 /nfs/dbraw/zinc/31/22/20/610312220.db2.gz KUALMAFMLXKBRG-SFHVURJKSA-N 1 1 332.492 0.713 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC000941461116 610320696 /nfs/dbraw/zinc/32/06/96/610320696.db2.gz ZWKIUARPRBMPAM-UHFFFAOYSA-N 1 1 330.432 0.403 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000940664207 610327793 /nfs/dbraw/zinc/32/77/93/610327793.db2.gz IZZFVSUVERDDAH-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCNC2=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940687811 610330886 /nfs/dbraw/zinc/33/08/86/610330886.db2.gz VQYPOIKCVDTRLP-UONOGXRCSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2ccco2)CC1 ZINC000941464909 610333845 /nfs/dbraw/zinc/33/38/45/610333845.db2.gz BYHLJIDOHVQORQ-KRWDZBQOSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2ccco2)CC1 ZINC000941464909 610333846 /nfs/dbraw/zinc/33/38/46/610333846.db2.gz BYHLJIDOHVQORQ-KRWDZBQOSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2conc2C)CC1 ZINC000941465466 610334114 /nfs/dbraw/zinc/33/41/14/610334114.db2.gz MYRDBEFMSMPOLI-INIZCTEOSA-N 1 1 344.415 0.755 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2conc2C)CC1 ZINC000941465466 610334116 /nfs/dbraw/zinc/33/41/16/610334116.db2.gz MYRDBEFMSMPOLI-INIZCTEOSA-N 1 1 344.415 0.755 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)C1 ZINC000941466038 610334309 /nfs/dbraw/zinc/33/43/09/610334309.db2.gz RMBHQTHAJDCTOZ-HNNXBMFYSA-N 1 1 329.448 0.460 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000940756346 610358808 /nfs/dbraw/zinc/35/88/08/610358808.db2.gz VJRGHYZMGWDTAH-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C3CN(CC#N)C3)CC1)CC2 ZINC000941536696 610366744 /nfs/dbraw/zinc/36/67/44/610366744.db2.gz BPMIIHNZNJBDNB-OAHLLOKOSA-N 1 1 342.447 0.106 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)CC1(C)C ZINC000940807361 610372608 /nfs/dbraw/zinc/37/26/08/610372608.db2.gz MKJUKEDZPCDVSH-JKSUJKDBSA-N 1 1 348.491 0.389 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1 ZINC000941579505 610391772 /nfs/dbraw/zinc/39/17/72/610391772.db2.gz DQAPFARXWGTJEC-ZWKOTPCHSA-N 1 1 343.475 0.928 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C(C)(C)C1 ZINC000940842805 610396199 /nfs/dbraw/zinc/39/61/99/610396199.db2.gz PRQMCAIXSVAFPZ-MRXNPFEDSA-N 1 1 342.443 0.963 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)C1 ZINC000941586530 610396808 /nfs/dbraw/zinc/39/68/08/610396808.db2.gz XSSAOUGHVDQMGJ-UHFFFAOYSA-N 1 1 341.415 0.897 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603193 610403235 /nfs/dbraw/zinc/40/32/35/610403235.db2.gz GEDUFDIEJGDJGH-SJLPKXTDSA-N 1 1 330.476 0.465 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873325 610420763 /nfs/dbraw/zinc/42/07/63/610420763.db2.gz LAXMKSGJDHBBTG-KBPBESRZSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC000941635336 610420855 /nfs/dbraw/zinc/42/08/55/610420855.db2.gz REQVUNJGTOBFOI-IBGZPJMESA-N 1 1 346.475 0.097 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000941638475 610423615 /nfs/dbraw/zinc/42/36/15/610423615.db2.gz OJHGFDCRQOSIGE-CVEARBPZSA-N 1 1 346.431 0.844 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000942365741 610424028 /nfs/dbraw/zinc/42/40/28/610424028.db2.gz YRNNVIWCOSAQHO-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000942365741 610424030 /nfs/dbraw/zinc/42/40/30/610424030.db2.gz YRNNVIWCOSAQHO-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908797 610428945 /nfs/dbraw/zinc/42/89/45/610428945.db2.gz PTOXZVNKDFTAPF-IOSXPMGOSA-N 1 1 331.460 0.700 20 30 ECEDMO C#CCN1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908797 610428946 /nfs/dbraw/zinc/42/89/46/610428946.db2.gz PTOXZVNKDFTAPF-IOSXPMGOSA-N 1 1 331.460 0.700 20 30 ECEDMO C#CCN1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908797 610428947 /nfs/dbraw/zinc/42/89/47/610428947.db2.gz PTOXZVNKDFTAPF-IOSXPMGOSA-N 1 1 331.460 0.700 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cncnc3C3CC3)CC2)C1 ZINC000941654875 610429939 /nfs/dbraw/zinc/42/99/39/610429939.db2.gz NEMUKTDQSILEDR-UHFFFAOYSA-N 1 1 339.443 0.819 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000940944729 610455901 /nfs/dbraw/zinc/45/59/01/610455901.db2.gz SQYKMTNQRPEWCN-RYUDHWBXSA-N 1 1 328.844 0.979 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000940944729 610455903 /nfs/dbraw/zinc/45/59/03/610455903.db2.gz SQYKMTNQRPEWCN-RYUDHWBXSA-N 1 1 328.844 0.979 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](CC)N3CCCC3=O)CC2)C1 ZINC000941665941 610457100 /nfs/dbraw/zinc/45/71/00/610457100.db2.gz KYHKKIOJAPOKAR-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(F)F)[C@H](OC)C1 ZINC000941005879 610489730 /nfs/dbraw/zinc/48/97/30/610489730.db2.gz YIORESUBHWUFFT-FRRDWIJNSA-N 1 1 343.374 0.081 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(F)F)[C@H](OC)C1 ZINC000941005879 610489732 /nfs/dbraw/zinc/48/97/32/610489732.db2.gz YIORESUBHWUFFT-FRRDWIJNSA-N 1 1 343.374 0.081 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cn3ccnn3)o2)[C@H](C)C1 ZINC000942526868 610498972 /nfs/dbraw/zinc/49/89/72/610498972.db2.gz CLLIVQOORIEZNP-UKRRQHHQSA-N 1 1 327.388 0.993 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](C)C1 ZINC000942530801 610501427 /nfs/dbraw/zinc/50/14/27/610501427.db2.gz VXGLCVNNDJQARE-OCCSQVGLSA-N 1 1 325.376 0.131 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)CC2(C)C)nn1 ZINC000941085181 610529057 /nfs/dbraw/zinc/52/90/57/610529057.db2.gz LQHBGJUQAUUFTH-KBPBESRZSA-N 1 1 346.435 0.183 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@@H]2C)c1 ZINC000942614214 610538431 /nfs/dbraw/zinc/53/84/31/610538431.db2.gz CFHPJLKANBVYAA-GUYCJALGSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000941882077 610540629 /nfs/dbraw/zinc/54/06/29/610540629.db2.gz ORBZWNOJBBLSPH-HUUCEWRRSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000941879025 610550268 /nfs/dbraw/zinc/55/02/68/610550268.db2.gz ASJXXLYDXRRNPI-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941124885 610554567 /nfs/dbraw/zinc/55/45/67/610554567.db2.gz WHVHNDCCVIJENZ-AWEZNQCLSA-N 1 1 346.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931199 610568432 /nfs/dbraw/zinc/56/84/32/610568432.db2.gz XPVCAPHONBAKMH-IUODEOHRSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H]1C[N@H+](CCS(C)(=O)=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931367 610568859 /nfs/dbraw/zinc/56/88/59/610568859.db2.gz YMAQFPXYNDIJDS-WCQYABFASA-N 1 1 338.433 0.371 20 30 ECEDMO C[C@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931367 610568861 /nfs/dbraw/zinc/56/88/61/610568861.db2.gz YMAQFPXYNDIJDS-WCQYABFASA-N 1 1 338.433 0.371 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941967789 610581231 /nfs/dbraw/zinc/58/12/31/610581231.db2.gz UGDIZWCKQDGAPO-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000941190832 610585975 /nfs/dbraw/zinc/58/59/75/610585975.db2.gz LBBOGJPTAIXEMY-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@@H](C)C1 ZINC000942723957 610586994 /nfs/dbraw/zinc/58/69/94/610586994.db2.gz RGJXMZCUIWBTOK-LSDHHAIUSA-N 1 1 344.459 0.987 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966560 610588086 /nfs/dbraw/zinc/58/80/86/610588086.db2.gz MIAVAHMVONBFDZ-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccoc2)[C@H](OC)C1 ZINC000941203394 610594098 /nfs/dbraw/zinc/59/40/98/610594098.db2.gz JGHHFEFJEMNMHR-OWCLPIDISA-N 1 1 345.399 0.333 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccoc2)[C@H](OC)C1 ZINC000941203394 610594100 /nfs/dbraw/zinc/59/41/00/610594100.db2.gz JGHHFEFJEMNMHR-OWCLPIDISA-N 1 1 345.399 0.333 20 30 ECEDMO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000942744946 610596265 /nfs/dbraw/zinc/59/62/65/610596265.db2.gz QYUYEEBKWPATHB-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000941244902 610616129 /nfs/dbraw/zinc/61/61/29/610616129.db2.gz DYMRUNFUQQUFNT-OAGGEKHMSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000941244902 610616131 /nfs/dbraw/zinc/61/61/31/610616131.db2.gz DYMRUNFUQQUFNT-OAGGEKHMSA-N 1 1 329.444 0.991 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](C)C1 ZINC000942062234 610638059 /nfs/dbraw/zinc/63/80/59/610638059.db2.gz VVFWUCVDIHEOFJ-UONOGXRCSA-N 1 1 333.432 0.621 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H](C)C1 ZINC000942179899 610689158 /nfs/dbraw/zinc/68/91/58/610689158.db2.gz DJDAXGQWHZFXGU-UKRRQHHQSA-N 1 1 328.416 0.573 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3C3CC3)CC2)C1 ZINC000941424706 610724741 /nfs/dbraw/zinc/72/47/41/610724741.db2.gz XVRNSQVLWUWZLG-UHFFFAOYSA-N 1 1 341.459 0.763 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC000944139610 610754110 /nfs/dbraw/zinc/75/41/10/610754110.db2.gz HMUBRKVHKDPRIS-OAGGEKHMSA-N 1 1 346.431 0.890 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H](C)C1 ZINC000943234704 610760572 /nfs/dbraw/zinc/76/05/72/610760572.db2.gz VZQDTTZSFSWITA-KGLIPLIRSA-N 1 1 344.419 0.294 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC000944169885 610763665 /nfs/dbraw/zinc/76/36/65/610763665.db2.gz INNFIVMWTNJXKK-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC000943293503 610783120 /nfs/dbraw/zinc/78/31/20/610783120.db2.gz XZIZAPHNPIMFOE-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC000943293503 610783123 /nfs/dbraw/zinc/78/31/23/610783123.db2.gz XZIZAPHNPIMFOE-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C[C@H]1C ZINC000944214162 610786618 /nfs/dbraw/zinc/78/66/18/610786618.db2.gz ISBOESJULCZQOH-HIFRSBDPSA-N 1 1 344.415 0.280 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C[C@H]1C ZINC000944214162 610786620 /nfs/dbraw/zinc/78/66/20/610786620.db2.gz ISBOESJULCZQOH-HIFRSBDPSA-N 1 1 344.415 0.280 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000944907756 610835190 /nfs/dbraw/zinc/83/51/90/610835190.db2.gz OKWUCVNYYBKHLL-GXTWGEPZSA-N 1 1 334.420 0.892 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000944909913 610835727 /nfs/dbraw/zinc/83/57/27/610835727.db2.gz WYMOAVUWMDQJSQ-SKDRFNHKSA-N 1 1 340.811 0.679 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000944909913 610835728 /nfs/dbraw/zinc/83/57/28/610835728.db2.gz WYMOAVUWMDQJSQ-SKDRFNHKSA-N 1 1 340.811 0.679 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)C1 ZINC000944933973 610849307 /nfs/dbraw/zinc/84/93/07/610849307.db2.gz UPCIPLOBPFFGKP-INIZCTEOSA-N 1 1 329.444 0.803 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC000944981969 610868049 /nfs/dbraw/zinc/86/80/49/610868049.db2.gz HWXNNZGJIIEVHW-ZDUSSCGKSA-N 1 1 329.404 0.802 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccon1 ZINC000943889453 611018578 /nfs/dbraw/zinc/01/85/78/611018578.db2.gz NHKSFQOGIPZPFQ-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccon1 ZINC000943889453 611018579 /nfs/dbraw/zinc/01/85/79/611018579.db2.gz NHKSFQOGIPZPFQ-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1ccon1 ZINC000943920844 611032601 /nfs/dbraw/zinc/03/26/01/611032601.db2.gz NEOJJSVXZCBKGA-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1ccon1 ZINC000943920844 611032604 /nfs/dbraw/zinc/03/26/04/611032604.db2.gz NEOJJSVXZCBKGA-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944659821 611075725 /nfs/dbraw/zinc/07/57/25/611075725.db2.gz VIRGMIREBKWSCG-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cnccn1 ZINC000944098643 611131122 /nfs/dbraw/zinc/13/11/22/611131122.db2.gz ZXLINLIYLPBCKT-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cnccn1 ZINC000944098643 611131124 /nfs/dbraw/zinc/13/11/24/611131124.db2.gz ZXLINLIYLPBCKT-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC000946870454 611209467 /nfs/dbraw/zinc/20/94/67/611209467.db2.gz RDZCHSMJMYPDKR-HNNXBMFYSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC000946870454 611209469 /nfs/dbraw/zinc/20/94/69/611209469.db2.gz RDZCHSMJMYPDKR-HNNXBMFYSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC[C@@H]2C1 ZINC000946897319 611237839 /nfs/dbraw/zinc/23/78/39/611237839.db2.gz YYMCOQWQTRCFNC-XHSDSOJGSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC000923564099 611263787 /nfs/dbraw/zinc/26/37/87/611263787.db2.gz UDCZQMGPHGGUAX-HNNXBMFYSA-N 1 1 329.400 0.265 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC000923564099 611263788 /nfs/dbraw/zinc/26/37/88/611263788.db2.gz UDCZQMGPHGGUAX-HNNXBMFYSA-N 1 1 329.400 0.265 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cncc(N3CCOCC3)c2)C1 ZINC000923567897 611264146 /nfs/dbraw/zinc/26/41/46/611264146.db2.gz XEEKTIRUWUBJIN-MRXNPFEDSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cncc(N3CCOCC3)c2)C1 ZINC000923567897 611264147 /nfs/dbraw/zinc/26/41/47/611264147.db2.gz XEEKTIRUWUBJIN-MRXNPFEDSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000923573832 611266897 /nfs/dbraw/zinc/26/68/97/611266897.db2.gz BZAJPCSPZJFXGI-PHODEOQFSA-N 1 1 330.388 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000923573832 611266899 /nfs/dbraw/zinc/26/68/99/611266899.db2.gz BZAJPCSPZJFXGI-PHODEOQFSA-N 1 1 330.388 0.117 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2csc(-c3nc[nH]n3)n2)C1 ZINC000923579898 611268274 /nfs/dbraw/zinc/26/82/74/611268274.db2.gz TZAGIDSUBBOWHY-LLVKDONJSA-N 1 1 330.417 0.685 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2csc(-c3nc[nH]n3)n2)C1 ZINC000923579898 611268276 /nfs/dbraw/zinc/26/82/76/611268276.db2.gz TZAGIDSUBBOWHY-LLVKDONJSA-N 1 1 330.417 0.685 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc(C(N)=O)c3ccccc32)C1 ZINC000923581924 611269496 /nfs/dbraw/zinc/26/94/96/611269496.db2.gz MFGRFVRMWAJODR-AWEZNQCLSA-N 1 1 338.411 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc(C(N)=O)c3ccccc32)C1 ZINC000923581924 611269497 /nfs/dbraw/zinc/26/94/97/611269497.db2.gz MFGRFVRMWAJODR-AWEZNQCLSA-N 1 1 338.411 0.954 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000834600450 611294388 /nfs/dbraw/zinc/29/43/88/611294388.db2.gz YQDOGHZOTBLUOJ-IRXDYDNUSA-N 1 1 348.491 0.248 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2coc(C)n2)CC1 ZINC000946549066 611317277 /nfs/dbraw/zinc/31/72/77/611317277.db2.gz XTQOVHXJUXOMFK-INIZCTEOSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2coc(C)n2)CC1 ZINC000946549066 611317278 /nfs/dbraw/zinc/31/72/78/611317278.db2.gz XTQOVHXJUXOMFK-INIZCTEOSA-N 1 1 344.415 0.801 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[C@@H]1C ZINC000947900792 611736267 /nfs/dbraw/zinc/73/62/67/611736267.db2.gz WPFZDQPJDOVMFJ-UONOGXRCSA-N 1 1 336.436 0.864 20 30 ECEDMO COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(C)CC[N@@H+](C)CC1 ZINC000933992592 611764287 /nfs/dbraw/zinc/76/42/87/611764287.db2.gz ICFAPXXTKSGHSP-KRWDZBQOSA-N 1 1 330.432 0.952 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(CNC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000948956108 611767780 /nfs/dbraw/zinc/76/77/80/611767780.db2.gz MJTPZNHBTZWFIC-OAHLLOKOSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnc(C)cn1 ZINC000950753780 611889282 /nfs/dbraw/zinc/88/92/82/611889282.db2.gz NJYHVIKSHYNCHU-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnc(C)cn1 ZINC000950753780 611889283 /nfs/dbraw/zinc/88/92/83/611889283.db2.gz NJYHVIKSHYNCHU-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1csc(C)n1 ZINC000950755244 611890862 /nfs/dbraw/zinc/89/08/62/611890862.db2.gz HWBVNIZNNXQCLQ-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1csc(C)n1 ZINC000950755244 611890863 /nfs/dbraw/zinc/89/08/63/611890863.db2.gz HWBVNIZNNXQCLQ-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000950229855 611914373 /nfs/dbraw/zinc/91/43/73/611914373.db2.gz FJWNMZXKFONTQS-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000950231705 611916625 /nfs/dbraw/zinc/91/66/25/611916625.db2.gz PJLSRRJHHSKEBG-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cn3cc(C)cn3)CC2)C1 ZINC000949314116 611935963 /nfs/dbraw/zinc/93/59/63/611935963.db2.gz KPWPSTQZXXFLAN-UHFFFAOYSA-N 1 1 330.432 0.908 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 ZINC000949346618 611947250 /nfs/dbraw/zinc/94/72/50/611947250.db2.gz OIEUYUCJRGKQKP-UHFFFAOYSA-N 1 1 335.404 0.861 20 30 ECEDMO C=CCN1CCOC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370145 611954844 /nfs/dbraw/zinc/95/48/44/611954844.db2.gz LHXSSIARBPWJPK-IAGOWNOFSA-N 1 1 349.475 0.729 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949379294 611957495 /nfs/dbraw/zinc/95/74/95/611957495.db2.gz WJLXJYROWWBHJH-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949379294 611957496 /nfs/dbraw/zinc/95/74/96/611957496.db2.gz WJLXJYROWWBHJH-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)cn3)CC2)C1 ZINC000949418881 611972339 /nfs/dbraw/zinc/97/23/39/611972339.db2.gz JEXBVHAOHSFCIY-UHFFFAOYSA-N 1 1 344.415 0.111 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949447647 611983544 /nfs/dbraw/zinc/98/35/44/611983544.db2.gz WNBDSRJFQLPKAQ-KRWDZBQOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949447647 611983547 /nfs/dbraw/zinc/98/35/47/611983547.db2.gz WNBDSRJFQLPKAQ-KRWDZBQOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 ZINC000949471218 611991885 /nfs/dbraw/zinc/99/18/85/611991885.db2.gz UGTTZYYGTVQIEK-KRWDZBQOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)Cc2ccn[nH]2)CC1 ZINC000950428025 612014948 /nfs/dbraw/zinc/01/49/48/612014948.db2.gz GHGFJZNMAYCSTP-INIZCTEOSA-N 1 1 343.431 0.015 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)C1 ZINC000949536604 612025347 /nfs/dbraw/zinc/02/53/47/612025347.db2.gz BSTGETXTBBYEJG-HNNXBMFYSA-N 1 1 348.447 0.246 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)C1 ZINC000949536604 612025348 /nfs/dbraw/zinc/02/53/48/612025348.db2.gz BSTGETXTBBYEJG-HNNXBMFYSA-N 1 1 348.447 0.246 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC000949536735 612025401 /nfs/dbraw/zinc/02/54/01/612025401.db2.gz JKFFKIYZBYYRGC-UHFFFAOYSA-N 1 1 345.447 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c(C)ccn1C ZINC000949604115 612040227 /nfs/dbraw/zinc/04/02/27/612040227.db2.gz GTBRCOMWYFSVFR-HOTGVXAUSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c(C)ccn1C ZINC000949604115 612040228 /nfs/dbraw/zinc/04/02/28/612040228.db2.gz GTBRCOMWYFSVFR-HOTGVXAUSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnnn2CC)C1 ZINC000950534089 612058034 /nfs/dbraw/zinc/05/80/34/612058034.db2.gz RMKLVMZZMKQHPD-KRWDZBQOSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnnn2CC)C1 ZINC000950534089 612058036 /nfs/dbraw/zinc/05/80/36/612058036.db2.gz RMKLVMZZMKQHPD-KRWDZBQOSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC000951223428 612088192 /nfs/dbraw/zinc/08/81/92/612088192.db2.gz HNRVQNMWBDEFSL-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC000951223428 612088194 /nfs/dbraw/zinc/08/81/94/612088194.db2.gz HNRVQNMWBDEFSL-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000951223688 612088571 /nfs/dbraw/zinc/08/85/71/612088571.db2.gz NOPNDTYDNIISHL-KGLIPLIRSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000951223688 612088573 /nfs/dbraw/zinc/08/85/73/612088573.db2.gz NOPNDTYDNIISHL-KGLIPLIRSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000951223808 612089006 /nfs/dbraw/zinc/08/90/06/612089006.db2.gz QEMXIRYZUMVRRV-HOTGVXAUSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000951223808 612089008 /nfs/dbraw/zinc/08/90/08/612089008.db2.gz QEMXIRYZUMVRRV-HOTGVXAUSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccnnc1C ZINC000951303021 612141420 /nfs/dbraw/zinc/14/14/20/612141420.db2.gz URPXPYLVRBTKDO-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccnnc1C ZINC000951303021 612141423 /nfs/dbraw/zinc/14/14/23/612141423.db2.gz URPXPYLVRBTKDO-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1conc1CC ZINC000951987389 612167465 /nfs/dbraw/zinc/16/74/65/612167465.db2.gz HMVIHLQHYWLRQE-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1conc1CC ZINC000951987389 612167467 /nfs/dbraw/zinc/16/74/67/612167467.db2.gz HMVIHLQHYWLRQE-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2nocc2C)C1 ZINC000952012920 612176246 /nfs/dbraw/zinc/17/62/46/612176246.db2.gz BYTOPMQJNVCHTD-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2nocc2C)C1 ZINC000952012920 612176247 /nfs/dbraw/zinc/17/62/47/612176247.db2.gz BYTOPMQJNVCHTD-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC000952014460 612177364 /nfs/dbraw/zinc/17/73/64/612177364.db2.gz MLANTOOIFHTAFD-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C[N@H+](C)C2CCC2)cn1 ZINC000951385933 612198775 /nfs/dbraw/zinc/19/87/75/612198775.db2.gz PVBAKDXTCPDRJI-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nocc1C ZINC000952121195 612233968 /nfs/dbraw/zinc/23/39/68/612233968.db2.gz RBGUVDBPZJJUFU-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nocc1C ZINC000952121195 612233969 /nfs/dbraw/zinc/23/39/69/612233969.db2.gz RBGUVDBPZJJUFU-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC000951454415 612244489 /nfs/dbraw/zinc/24/44/89/612244489.db2.gz PFTGPUZFZVAZNZ-KGLIPLIRSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC000951454415 612244492 /nfs/dbraw/zinc/24/44/92/612244492.db2.gz PFTGPUZFZVAZNZ-KGLIPLIRSA-N 1 1 330.388 0.493 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000954472270 612308801 /nfs/dbraw/zinc/30/88/01/612308801.db2.gz DBFHGOHECDCJDC-IAQYHMDHSA-N 1 1 344.419 0.619 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000954472270 612308804 /nfs/dbraw/zinc/30/88/04/612308804.db2.gz DBFHGOHECDCJDC-IAQYHMDHSA-N 1 1 344.419 0.619 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2cncs2)C1 ZINC000954525181 612364387 /nfs/dbraw/zinc/36/43/87/612364387.db2.gz UBEPSIZVPCZWIO-HNNXBMFYSA-N 1 1 346.456 0.452 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2cncs2)C1 ZINC000954525181 612364391 /nfs/dbraw/zinc/36/43/91/612364391.db2.gz UBEPSIZVPCZWIO-HNNXBMFYSA-N 1 1 346.456 0.452 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC000951675192 612458449 /nfs/dbraw/zinc/45/84/49/612458449.db2.gz IQBIIOSYRFNAPB-AAEUAGOBSA-N 1 1 348.428 0.277 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC000951675192 612458452 /nfs/dbraw/zinc/45/84/52/612458452.db2.gz IQBIIOSYRFNAPB-AAEUAGOBSA-N 1 1 348.428 0.277 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cccc(C)n2)C1 ZINC000954630391 612467185 /nfs/dbraw/zinc/46/71/85/612467185.db2.gz DWAGXYHDEUXTPV-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cccc(C)n2)C1 ZINC000954630391 612467186 /nfs/dbraw/zinc/46/71/86/612467186.db2.gz DWAGXYHDEUXTPV-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC000954630628 612467258 /nfs/dbraw/zinc/46/72/58/612467258.db2.gz FKJWGAUIPGGSQI-IRXDYDNUSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC000954630628 612467262 /nfs/dbraw/zinc/46/72/62/612467262.db2.gz FKJWGAUIPGGSQI-IRXDYDNUSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nc(C)c[nH]2)C1 ZINC000954631672 612470117 /nfs/dbraw/zinc/47/01/17/612470117.db2.gz JIWQCABKOVGRBA-AWEZNQCLSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nc(C)c[nH]2)C1 ZINC000954631672 612470120 /nfs/dbraw/zinc/47/01/20/612470120.db2.gz JIWQCABKOVGRBA-AWEZNQCLSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)no2)C1 ZINC000954631538 612470662 /nfs/dbraw/zinc/47/06/62/612470662.db2.gz ZBXMVZRUYGAEHD-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)no2)C1 ZINC000954631538 612470664 /nfs/dbraw/zinc/47/06/64/612470664.db2.gz ZBXMVZRUYGAEHD-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000955347442 612477438 /nfs/dbraw/zinc/47/74/38/612477438.db2.gz UOFPGHSBFQNHRO-GFCCVEGCSA-N 1 1 345.403 0.713 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)nc1 ZINC000955927592 612493666 /nfs/dbraw/zinc/49/36/66/612493666.db2.gz KQOMTWDFUAJAHV-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000956775426 612513746 /nfs/dbraw/zinc/51/37/46/612513746.db2.gz JOWDBEVSCNVZDC-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000953997500 612535845 /nfs/dbraw/zinc/53/58/45/612535845.db2.gz GLXGHODBOBQEOD-VVLHAWIVSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000953997500 612535850 /nfs/dbraw/zinc/53/58/50/612535850.db2.gz GLXGHODBOBQEOD-VVLHAWIVSA-N 1 1 329.444 0.799 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000955969815 612541600 /nfs/dbraw/zinc/54/16/00/612541600.db2.gz BJLXZOIZVVMTIY-VHDGCEQUSA-N 1 1 343.431 0.947 20 30 ECEDMO O=C(CC[NH+]1CCOCC1)N1CCN(CC#Cc2ccccc2)CC1 ZINC000951752001 612554341 /nfs/dbraw/zinc/55/43/41/612554341.db2.gz VUYAGZXKYUCVOT-UHFFFAOYSA-N 1 1 341.455 0.905 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956802258 612565748 /nfs/dbraw/zinc/56/57/48/612565748.db2.gz JEIBCZAAFHLLCX-SUMWQHHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2occc2C)C1 ZINC000953739898 612575205 /nfs/dbraw/zinc/57/52/05/612575205.db2.gz DRBIBYZXPIJVCY-HNNXBMFYSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2occc2C)C1 ZINC000953739898 612575209 /nfs/dbraw/zinc/57/52/09/612575209.db2.gz DRBIBYZXPIJVCY-HNNXBMFYSA-N 1 1 329.400 0.968 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC000951785579 612610314 /nfs/dbraw/zinc/61/03/14/612610314.db2.gz UWVULONRNZTFEL-BMFZPTHFSA-N 1 1 345.447 0.889 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000954108114 612671085 /nfs/dbraw/zinc/67/10/85/612671085.db2.gz MGDRYVOZPRGEIP-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccn(C)n1 ZINC000956072772 612676740 /nfs/dbraw/zinc/67/67/40/612676740.db2.gz KKOUZCXKLXMTSH-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccn(C)n1 ZINC000956072772 612676742 /nfs/dbraw/zinc/67/67/42/612676742.db2.gz KKOUZCXKLXMTSH-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccns1 ZINC000956073296 612677328 /nfs/dbraw/zinc/67/73/28/612677328.db2.gz OLHPHEKVYGXFTF-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccns1 ZINC000956073296 612677329 /nfs/dbraw/zinc/67/73/29/612677329.db2.gz OLHPHEKVYGXFTF-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=COCCC1 ZINC000956073329 612677415 /nfs/dbraw/zinc/67/74/15/612677415.db2.gz PLAJVRLNRSOCLX-IRXDYDNUSA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=COCCC1 ZINC000956073329 612677419 /nfs/dbraw/zinc/67/74/19/612677419.db2.gz PLAJVRLNRSOCLX-IRXDYDNUSA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000956073792 612677913 /nfs/dbraw/zinc/67/79/13/612677913.db2.gz YMNIEHQVMVNMIL-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000956073792 612677914 /nfs/dbraw/zinc/67/79/14/612677914.db2.gz YMNIEHQVMVNMIL-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000956074320 612678195 /nfs/dbraw/zinc/67/81/95/612678195.db2.gz VJYNLGNYPWXXPU-HOTGVXAUSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000956074320 612678199 /nfs/dbraw/zinc/67/81/99/612678199.db2.gz VJYNLGNYPWXXPU-HOTGVXAUSA-N 1 1 343.431 0.239 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000956934100 612716088 /nfs/dbraw/zinc/71/60/88/612716088.db2.gz BYJFPHQIXSQFOP-HNAYVOBHSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000954834819 612727843 /nfs/dbraw/zinc/72/78/43/612727843.db2.gz IKWUOYBDXZIQFK-OAHLLOKOSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000954835748 612729051 /nfs/dbraw/zinc/72/90/51/612729051.db2.gz VRTSHLXKJOPCJF-AWEZNQCLSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]nc1C ZINC000956133173 612733736 /nfs/dbraw/zinc/73/37/36/612733736.db2.gz XTZFKBZMCLQDAQ-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]nc1C ZINC000956133173 612733737 /nfs/dbraw/zinc/73/37/37/612733737.db2.gz XTZFKBZMCLQDAQ-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC000954219028 612776210 /nfs/dbraw/zinc/77/62/10/612776210.db2.gz LDXCXYKMHCBNRV-STQMWFEESA-N 1 1 325.359 0.408 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC000954219028 612776212 /nfs/dbraw/zinc/77/62/12/612776212.db2.gz LDXCXYKMHCBNRV-STQMWFEESA-N 1 1 325.359 0.408 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cn3c[nH+]cc3C)C2)nc1 ZINC000954912403 612781960 /nfs/dbraw/zinc/78/19/60/612781960.db2.gz JCKNXDKQWXZXHC-UHFFFAOYSA-N 1 1 337.383 0.551 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000954913130 612782452 /nfs/dbraw/zinc/78/24/52/612782452.db2.gz QFFINTVKKYHGIO-AWEZNQCLSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC000954913275 612782852 /nfs/dbraw/zinc/78/28/52/612782852.db2.gz STUNIUCWTYYIQI-CQSZACIVSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccon2)C1 ZINC000956735270 612940273 /nfs/dbraw/zinc/94/02/73/612940273.db2.gz DBMKYNSTJLBNHM-YOEHRIQHSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccon2)C1 ZINC000956735270 612940274 /nfs/dbraw/zinc/94/02/74/612940274.db2.gz DBMKYNSTJLBNHM-YOEHRIQHSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cc(C)n[nH]2)C1 ZINC000956738875 612940982 /nfs/dbraw/zinc/94/09/82/612940982.db2.gz PBYJZZXFHYKVCB-MAUKXSAKSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cc(C)n[nH]2)C1 ZINC000956738875 612940983 /nfs/dbraw/zinc/94/09/83/612940983.db2.gz PBYJZZXFHYKVCB-MAUKXSAKSA-N 1 1 343.431 0.537 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001039472673 735340139 /nfs/dbraw/zinc/34/01/39/735340139.db2.gz FNWBLHQBWLOUKH-RDBSUJKOSA-N 1 1 327.450 0.320 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3nnn(C(C)C)c3C)[C@H]2C1 ZINC001083235645 735488448 /nfs/dbraw/zinc/48/84/48/735488448.db2.gz OPMCNBYTVIBEAD-LSDHHAIUSA-N 1 1 331.420 0.716 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3nnn(C(C)C)c3C)[C@H]2C1 ZINC001083235645 735488451 /nfs/dbraw/zinc/48/84/51/735488451.db2.gz OPMCNBYTVIBEAD-LSDHHAIUSA-N 1 1 331.420 0.716 20 30 ECEDMO C=CCOCC[N@H+](CCO)C1CCN(C(=O)c2ccn(C)n2)CC1 ZINC001098561526 735512564 /nfs/dbraw/zinc/51/25/64/735512564.db2.gz GODGMVXXLVNPGA-UHFFFAOYSA-N 1 1 336.436 0.522 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N(CCO)CCNc1nccnc1C#N ZINC001111582899 731589207 /nfs/dbraw/zinc/58/92/07/731589207.db2.gz VYSCUTKFNSDNPQ-AWEZNQCLSA-N 1 1 346.435 0.455 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC001041798015 782231373 /nfs/dbraw/zinc/23/13/73/782231373.db2.gz VFNQDQMOTVLJKA-GOSISDBHSA-N 1 1 328.416 0.499 20 30 ECEDMO CC1(C)C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973007498 738535067 /nfs/dbraw/zinc/53/50/67/738535067.db2.gz YEZFLBOKIBKRKF-STQMWFEESA-N 1 1 343.387 0.132 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973007498 738535068 /nfs/dbraw/zinc/53/50/68/738535068.db2.gz YEZFLBOKIBKRKF-STQMWFEESA-N 1 1 343.387 0.132 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1 ZINC001098522333 731766451 /nfs/dbraw/zinc/76/64/51/731766451.db2.gz FNMSYYOEXFLPIE-UHFFFAOYSA-N 1 1 331.416 0.606 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cn(C)nc3C)C2)C1=O ZINC000969416865 731838378 /nfs/dbraw/zinc/83/83/78/731838378.db2.gz CMXKVHLUSYCAGL-BLLLJJGKSA-N 1 1 345.447 0.566 20 30 ECEDMO Cc1nc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001041808416 782244174 /nfs/dbraw/zinc/24/41/74/782244174.db2.gz HJROWIUMFSWIGK-DAXOMENPSA-N 1 1 343.431 0.533 20 30 ECEDMO Cc1nc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001041808416 782244180 /nfs/dbraw/zinc/24/41/80/782244180.db2.gz HJROWIUMFSWIGK-DAXOMENPSA-N 1 1 343.431 0.533 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000969513767 731940534 /nfs/dbraw/zinc/94/05/34/731940534.db2.gz HGNUSMIUDYWTBB-MLGOLLRUSA-N 1 1 341.415 0.723 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000969527644 731945715 /nfs/dbraw/zinc/94/57/15/731945715.db2.gz ZAERHTVYRGTZJA-LRDDRELGSA-N 1 1 341.415 0.723 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041810664 782248956 /nfs/dbraw/zinc/24/89/56/782248956.db2.gz HQOYZYGYOXHSKY-AEFFLSMTSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3nn(C)cc3C)C2)C1=O ZINC000969655907 732026798 /nfs/dbraw/zinc/02/67/98/732026798.db2.gz CAILINAMUXMUCH-UKRRQHHQSA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CN(C)c2ccc(C#N)nc2)CC[N@H+]1C ZINC001125304852 732326096 /nfs/dbraw/zinc/32/60/96/732326096.db2.gz DPXBFUYEZZYLHP-KBRIMQKVSA-N 1 1 345.447 0.549 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000969764951 732329790 /nfs/dbraw/zinc/32/97/90/732329790.db2.gz ABDDKLPZBITMEY-KGLIPLIRSA-N 1 1 331.351 0.069 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccns3)C2)C1=O ZINC000969779737 732343460 /nfs/dbraw/zinc/34/34/60/732343460.db2.gz QKNRFURKBWSDJY-WCQYABFASA-N 1 1 334.445 0.980 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H](C)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000969838549 732427910 /nfs/dbraw/zinc/42/79/10/732427910.db2.gz YZHKZGIWKPDWBU-CZUORRHYSA-N 1 1 330.432 0.955 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC000969908212 732506199 /nfs/dbraw/zinc/50/61/99/732506199.db2.gz POYNQWJTRTYEKV-RISCZKNCSA-N 1 1 345.403 0.019 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC000969944305 732545868 /nfs/dbraw/zinc/54/58/68/732545868.db2.gz MJYHQYDOVJGHTF-UKRRQHHQSA-N 1 1 330.432 0.918 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CCOCCCOC)CC1 ZINC001098526883 732625666 /nfs/dbraw/zinc/62/56/66/732625666.db2.gz REUIDAASQVBCDR-UHFFFAOYSA-N 1 1 326.437 0.348 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC001098527071 732675403 /nfs/dbraw/zinc/67/54/03/732675403.db2.gz SWRPSIRVXNOKRD-OAHLLOKOSA-N 1 1 344.459 0.823 20 30 ECEDMO C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC001098527071 732675405 /nfs/dbraw/zinc/67/54/05/732675405.db2.gz SWRPSIRVXNOKRD-OAHLLOKOSA-N 1 1 344.459 0.823 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC001098527071 732675407 /nfs/dbraw/zinc/67/54/07/732675407.db2.gz SWRPSIRVXNOKRD-OAHLLOKOSA-N 1 1 344.459 0.823 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC001041821561 782271589 /nfs/dbraw/zinc/27/15/89/782271589.db2.gz GMAQRRXTCCZPKP-GOSISDBHSA-N 1 1 332.448 0.725 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1 ZINC001098529183 732917178 /nfs/dbraw/zinc/91/71/78/732917178.db2.gz XOIWKCYOXRIECO-OAHLLOKOSA-N 1 1 337.464 0.716 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836151 782311627 /nfs/dbraw/zinc/31/16/27/782311627.db2.gz PSACPYGQHQIWIS-JSGCOSHPSA-N 1 1 347.868 0.355 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836151 782311639 /nfs/dbraw/zinc/31/16/39/782311639.db2.gz PSACPYGQHQIWIS-JSGCOSHPSA-N 1 1 347.868 0.355 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC001098532729 733050610 /nfs/dbraw/zinc/05/06/10/733050610.db2.gz BPMSXXLWNFIKDU-HNNXBMFYSA-N 1 1 344.459 0.823 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(F)c[nH]3)C2)C1=O ZINC000970175674 733129088 /nfs/dbraw/zinc/12/90/88/733129088.db2.gz UTDNQANMJZLEFS-ABAIWWIYSA-N 1 1 334.395 0.991 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC001041840246 782319812 /nfs/dbraw/zinc/31/98/12/782319812.db2.gz WUOHFGKCFMGVMQ-FUHWJXTLSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)C2)C1 ZINC001041845461 782326047 /nfs/dbraw/zinc/32/60/47/782326047.db2.gz DKTOLOXNFZLWNH-QGZVFWFLSA-N 1 1 346.435 0.090 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cn(CC)nn3)C2)nn1 ZINC000970205452 733198526 /nfs/dbraw/zinc/19/85/26/733198526.db2.gz LKFPMTHMDXRSPC-GFCCVEGCSA-N 1 1 330.396 0.080 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3coc(OC)n3)C2)C1=O ZINC000970219641 733229944 /nfs/dbraw/zinc/22/99/44/733229944.db2.gz GIYHLTSMNKBFOF-FZMZJTMJSA-N 1 1 348.403 0.520 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970263878 733272335 /nfs/dbraw/zinc/27/23/35/733272335.db2.gz GKUYRTMASZLCRA-IINYFYTJSA-N 1 1 332.429 0.692 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970353779 733403869 /nfs/dbraw/zinc/40/38/69/733403869.db2.gz GTDYZGUIAZQVIT-RNCFNFMXSA-N 1 1 333.417 0.238 20 30 ECEDMO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)CNc1ccnc(C#N)n1 ZINC001104260010 733444943 /nfs/dbraw/zinc/44/49/43/733444943.db2.gz ICUHQGRJXDTNJB-KBPBESRZSA-N 1 1 330.436 0.809 20 30 ECEDMO C=CCOCC[N@H+]1CCCO[C@H](CNC(=O)c2cnns2)C1 ZINC001149248080 733459340 /nfs/dbraw/zinc/45/93/40/733459340.db2.gz OHAOBUIASKYHSB-GFCCVEGCSA-N 1 1 326.422 0.561 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2O)C1 ZINC000970394806 733461728 /nfs/dbraw/zinc/46/17/28/733461728.db2.gz GDCLGLCCUWVAHE-ZNMIVQPWSA-N 1 1 335.448 0.372 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1cncc(C#N)n1 ZINC001104269919 733537483 /nfs/dbraw/zinc/53/74/83/733537483.db2.gz JIPKTZHXUQXCQD-YRGRVCCFSA-N 1 1 332.408 0.232 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1cncc(C#N)n1 ZINC001104269919 733537488 /nfs/dbraw/zinc/53/74/88/733537488.db2.gz JIPKTZHXUQXCQD-YRGRVCCFSA-N 1 1 332.408 0.232 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000970511616 733630505 /nfs/dbraw/zinc/63/05/05/733630505.db2.gz MJWCHGPHPQRFCB-GFCCVEGCSA-N 1 1 343.412 0.949 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC000970543753 733660269 /nfs/dbraw/zinc/66/02/69/733660269.db2.gz ACVVBDDZUPGBRF-RYUDHWBXSA-N 1 1 346.435 0.181 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001041862581 782361503 /nfs/dbraw/zinc/36/15/03/782361503.db2.gz YZYSSGFVBYXQRF-WBMJQRKESA-N 1 1 339.823 0.716 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001041862581 782361516 /nfs/dbraw/zinc/36/15/16/782361516.db2.gz YZYSSGFVBYXQRF-WBMJQRKESA-N 1 1 339.823 0.716 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ncccn3)C2)C1=O ZINC000970628780 733760940 /nfs/dbraw/zinc/76/09/40/733760940.db2.gz RFUCSKXEEBGLGP-JSGCOSHPSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](OCC)C4CC4)C[C@H]32)nn1 ZINC001114942382 733792420 /nfs/dbraw/zinc/79/24/20/733792420.db2.gz LCQRVPISCCWBGW-HDEZJCGLSA-N 1 1 345.447 0.939 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCC3)C2)cn1 ZINC000970765331 733923365 /nfs/dbraw/zinc/92/33/65/733923365.db2.gz CDADBHAGMJCCMI-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC001098543341 734020847 /nfs/dbraw/zinc/02/08/47/734020847.db2.gz AMDLEHJXHZZGMJ-UHFFFAOYSA-N 1 1 343.427 0.335 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4cc(C)cnc34)[C@H]2C1 ZINC001083210101 734179911 /nfs/dbraw/zinc/17/99/11/734179911.db2.gz LADRTUZZWSBSRX-LSDHHAIUSA-N 1 1 327.388 0.749 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4cc(C)cnc34)[C@H]2C1 ZINC001083210101 734179913 /nfs/dbraw/zinc/17/99/13/734179913.db2.gz LADRTUZZWSBSRX-LSDHHAIUSA-N 1 1 327.388 0.749 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC000971020553 734186582 /nfs/dbraw/zinc/18/65/82/734186582.db2.gz LVTARLHQIPKQBR-GXTWGEPZSA-N 1 1 345.403 0.115 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971045192 734205806 /nfs/dbraw/zinc/20/58/06/734205806.db2.gz LTBSJDKJSSXONU-CQSZACIVSA-N 1 1 343.366 0.417 20 30 ECEDMO C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001167421959 734210806 /nfs/dbraw/zinc/21/08/06/734210806.db2.gz DEORLERCAAFULQ-CQSZACIVSA-N 1 1 347.463 0.767 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N[C@@H](C)CC)C[C@H]32)nn1 ZINC001114943104 734222753 /nfs/dbraw/zinc/22/27/53/734222753.db2.gz SCEVBKKCNPNFMX-BCUIYNNISA-N 1 1 346.435 0.039 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N[C@@H](C)CC)C[C@H]32)nn1 ZINC001114943104 734222757 /nfs/dbraw/zinc/22/27/57/734222757.db2.gz SCEVBKKCNPNFMX-BCUIYNNISA-N 1 1 346.435 0.039 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(C)no3)C2)C1=O ZINC000971070671 734230974 /nfs/dbraw/zinc/23/09/74/734230974.db2.gz FNAAAOFAPKVSOM-UONOGXRCSA-N 1 1 332.404 0.916 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001078161188 782405247 /nfs/dbraw/zinc/40/52/47/782405247.db2.gz IZEYLFSWLXGMCE-HZPDHXFCSA-N 1 1 348.447 0.785 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCn3cccn3)C2)C1=O ZINC000971101697 734266186 /nfs/dbraw/zinc/26/61/86/734266186.db2.gz MYINBIQPZFRZQE-HZPDHXFCSA-N 1 1 345.447 0.593 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2cc(C)ncc2C#N)CCO1 ZINC001104327885 734343352 /nfs/dbraw/zinc/34/33/52/734343352.db2.gz BWKLXUULEWOIQS-INIZCTEOSA-N 1 1 345.447 0.925 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(c2cc(CC)[nH+]c(C)n2)CCO1 ZINC001104330174 734368441 /nfs/dbraw/zinc/36/84/41/734368441.db2.gz JDATXIMCEALZJL-INIZCTEOSA-N 1 1 346.431 0.709 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)CC2CCS(=O)(=O)CC2)C1 ZINC000971220473 734370997 /nfs/dbraw/zinc/37/09/97/734370997.db2.gz GZRMKWSKKAAPMQ-OCCSQVGLSA-N 1 1 327.450 0.504 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1=O ZINC000971250900 734388679 /nfs/dbraw/zinc/38/86/79/734388679.db2.gz QRWKXRGDQMCRTN-CABCVRRESA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000971250900 734388687 /nfs/dbraw/zinc/38/86/87/734388687.db2.gz QRWKXRGDQMCRTN-CABCVRRESA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000971250900 734388689 /nfs/dbraw/zinc/38/86/89/734388689.db2.gz QRWKXRGDQMCRTN-CABCVRRESA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC)C1 ZINC001111988747 738813967 /nfs/dbraw/zinc/81/39/67/738813967.db2.gz QQAATOAVVXFWEG-ZFWWWQNUSA-N 1 1 329.466 0.473 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2cnn(CCOC)c2)CC1 ZINC001098550402 734451034 /nfs/dbraw/zinc/45/10/34/734451034.db2.gz MBUVEFPQSHKLFW-UHFFFAOYSA-N 1 1 336.436 0.614 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971364481 734476523 /nfs/dbraw/zinc/47/65/23/734476523.db2.gz YLJURWBIJHTNCQ-CYBMUJFWSA-N 1 1 330.392 0.058 20 30 ECEDMO CN1CCC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000971375581 734487509 /nfs/dbraw/zinc/48/75/09/734487509.db2.gz BPRYLDBUNGGFBS-GJZGRUSLSA-N 1 1 329.404 0.653 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000971379881 734492738 /nfs/dbraw/zinc/49/27/38/734492738.db2.gz QGWFVKMSHVIONU-QZTJIDSGSA-N 1 1 342.443 0.922 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(C4CC4)nc3)[C@H]2C1 ZINC001083216912 734496502 /nfs/dbraw/zinc/49/65/02/734496502.db2.gz XKAOIEAXHUVOKG-JKSUJKDBSA-N 1 1 326.400 0.903 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(C4CC4)nc3)[C@H]2C1 ZINC001083216912 734496504 /nfs/dbraw/zinc/49/65/04/734496504.db2.gz XKAOIEAXHUVOKG-JKSUJKDBSA-N 1 1 326.400 0.903 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001114944884 738822143 /nfs/dbraw/zinc/82/21/43/738822143.db2.gz KAJJBYKUZBQLDZ-LJISPDSOSA-N 1 1 343.493 0.573 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104350135 734523667 /nfs/dbraw/zinc/52/36/67/734523667.db2.gz PCLDCGCWFXVIKH-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC(CC1)C2(C)C ZINC001114943353 734533447 /nfs/dbraw/zinc/53/34/47/734533447.db2.gz YIHUXFDSIZHAPQ-SFUFMQQDSA-N 1 1 343.471 0.999 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC(CC1)C2(C)C ZINC001114943353 734533450 /nfs/dbraw/zinc/53/34/50/734533450.db2.gz YIHUXFDSIZHAPQ-SFUFMQQDSA-N 1 1 343.471 0.999 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@@H+]2CC(N)=O)c1 ZINC001025219310 738824418 /nfs/dbraw/zinc/82/44/18/738824418.db2.gz VDEJOQBMBWXVEC-CABCVRRESA-N 1 1 329.404 0.831 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCC4)C[C@@H]32)nn1 ZINC001083217994 734566416 /nfs/dbraw/zinc/56/64/16/734566416.db2.gz WZPRNHYFGMMXJR-JKSUJKDBSA-N 1 1 331.420 0.789 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC000971555586 734744714 /nfs/dbraw/zinc/74/47/14/734744714.db2.gz GXOMSGOMKRAHBI-OAGGEKHMSA-N 1 1 333.436 0.792 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000971568102 734760097 /nfs/dbraw/zinc/76/00/97/734760097.db2.gz QYPAREDCBWALQU-DAXOMENPSA-N 1 1 341.415 0.653 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4nncn4c3)[C@H]2C1 ZINC001083222695 734865861 /nfs/dbraw/zinc/86/58/61/734865861.db2.gz GTOOVXKZMCJVPD-LSDHHAIUSA-N 1 1 327.388 0.831 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4nncn4c3)[C@H]2C1 ZINC001083222695 734865863 /nfs/dbraw/zinc/86/58/63/734865863.db2.gz GTOOVXKZMCJVPD-LSDHHAIUSA-N 1 1 327.388 0.831 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000971654101 734887374 /nfs/dbraw/zinc/88/73/74/734887374.db2.gz MCTRFWCDDWKTIY-RBSFLKMASA-N 1 1 335.448 0.589 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000971654101 734887377 /nfs/dbraw/zinc/88/73/77/734887377.db2.gz MCTRFWCDDWKTIY-RBSFLKMASA-N 1 1 335.448 0.589 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CS(=O)(=O)C1 ZINC001025232849 738859091 /nfs/dbraw/zinc/85/90/91/738859091.db2.gz QNEHUIZUOYRQLP-CVEARBPZSA-N 1 1 338.473 0.900 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CS(=O)(=O)C1 ZINC001025232849 738859094 /nfs/dbraw/zinc/85/90/94/738859094.db2.gz QNEHUIZUOYRQLP-CVEARBPZSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nnc(C)[nH]2)C1 ZINC000971704765 734966275 /nfs/dbraw/zinc/96/62/75/734966275.db2.gz WOVOWELJDADLBN-GJZGRUSLSA-N 1 1 330.436 0.243 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nnc(C)[nH]2)C1 ZINC000971704765 734966278 /nfs/dbraw/zinc/96/62/78/734966278.db2.gz WOVOWELJDADLBN-GJZGRUSLSA-N 1 1 330.436 0.243 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973188743 738877064 /nfs/dbraw/zinc/87/70/64/738877064.db2.gz FRYQLGXWTHHSMX-NHULGOKLSA-N 1 1 329.404 0.461 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)COCC)C1 ZINC001059847845 751357130 /nfs/dbraw/zinc/35/71/30/751357130.db2.gz WFWMPULKAARZQT-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)COCC)C1 ZINC001059847845 751357136 /nfs/dbraw/zinc/35/71/36/751357136.db2.gz WFWMPULKAARZQT-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972197516 735775510 /nfs/dbraw/zinc/77/55/10/735775510.db2.gz CWSJCYZSBGPLPJ-HIFRSBDPSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972197516 735775513 /nfs/dbraw/zinc/77/55/13/735775513.db2.gz CWSJCYZSBGPLPJ-HIFRSBDPSA-N 1 1 345.378 0.411 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC000972246149 735834135 /nfs/dbraw/zinc/83/41/35/735834135.db2.gz OGVGDNGZXOYMDC-TZMCWYRMSA-N 1 1 347.419 0.059 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001058908780 751363419 /nfs/dbraw/zinc/36/34/19/751363419.db2.gz GLKZEUKJSWRLFS-JSGCOSHPSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001058908780 751363426 /nfs/dbraw/zinc/36/34/26/751363426.db2.gz GLKZEUKJSWRLFS-JSGCOSHPSA-N 1 1 330.392 0.082 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@@H+](C)CCN3CCNC3=O)C2)c1 ZINC000972285297 735890414 /nfs/dbraw/zinc/89/04/14/735890414.db2.gz QPJQWVVPZLTQGN-INIZCTEOSA-N 1 1 341.415 0.234 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@]2(C1)C[N@H+](CCn1cccn1)CCO2 ZINC000972372485 736031202 /nfs/dbraw/zinc/03/12/02/736031202.db2.gz ACROQBHOJDZRMZ-SFHVURJKSA-N 1 1 328.416 0.600 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@]2(C1)C[N@@H+](CCn1cccn1)CCO2 ZINC000972372485 736031204 /nfs/dbraw/zinc/03/12/04/736031204.db2.gz ACROQBHOJDZRMZ-SFHVURJKSA-N 1 1 328.416 0.600 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 ZINC000972386921 736057805 /nfs/dbraw/zinc/05/78/05/736057805.db2.gz IOOSFSXXQIDXPA-IIDMSEBBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001078213811 782507147 /nfs/dbraw/zinc/50/71/47/782507147.db2.gz DJWBBIGKTLHPTF-BRWVUGGUSA-N 1 1 337.464 0.225 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC001098569404 736077116 /nfs/dbraw/zinc/07/71/16/736077116.db2.gz JKEVXXCWMRGOQH-UHFFFAOYSA-N 1 1 346.431 0.656 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](C)Nc1ccnc(C#N)n1)CC2 ZINC001098220485 736080919 /nfs/dbraw/zinc/08/09/19/736080919.db2.gz KEPCULHDGAQLTF-YPMHNXCESA-N 1 1 339.403 0.454 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001078219833 782512559 /nfs/dbraw/zinc/51/25/59/782512559.db2.gz ORGZRMRANSLSNA-HZPDHXFCSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 ZINC000972448648 736227633 /nfs/dbraw/zinc/22/76/33/736227633.db2.gz BMLWOZFFBAOGJQ-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 ZINC000972448648 736227636 /nfs/dbraw/zinc/22/76/36/736227636.db2.gz BMLWOZFFBAOGJQ-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncc(OC)cn3)C2)C1 ZINC000972461790 736259190 /nfs/dbraw/zinc/25/91/90/736259190.db2.gz XPGPLURNPHXGDX-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972479572 736302447 /nfs/dbraw/zinc/30/24/47/736302447.db2.gz CVFILGHALMGOQX-QGZVFWFLSA-N 1 1 333.388 0.872 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972479572 736302450 /nfs/dbraw/zinc/30/24/50/736302450.db2.gz CVFILGHALMGOQX-QGZVFWFLSA-N 1 1 333.388 0.872 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C(C)C)C2)cn1 ZINC001022992850 736368383 /nfs/dbraw/zinc/36/83/83/736368383.db2.gz XWOSIEFRVYWBKA-GASCZTMLSA-N 1 1 339.403 0.681 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 ZINC000972495161 736395822 /nfs/dbraw/zinc/39/58/22/736395822.db2.gz XVMDBKMSNHVWMH-QGZVFWFLSA-N 1 1 332.404 0.369 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 ZINC000972495161 736395825 /nfs/dbraw/zinc/39/58/25/736395825.db2.gz XVMDBKMSNHVWMH-QGZVFWFLSA-N 1 1 332.404 0.369 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cn(C)nc3C)C2)nn1 ZINC000972500243 736421356 /nfs/dbraw/zinc/42/13/56/736421356.db2.gz JAVNTKHVHKDFTP-OAHLLOKOSA-N 1 1 343.435 0.853 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)CC1 ZINC001098575233 736491443 /nfs/dbraw/zinc/49/14/43/736491443.db2.gz HRXSBDRVWFUZFN-OAHLLOKOSA-N 1 1 335.448 0.163 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N3C)C2)C1 ZINC000972513579 736510075 /nfs/dbraw/zinc/51/00/75/736510075.db2.gz IEJUGXUGJVMAOE-CRAIPNDOSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NCc3ccn(C)n3)C2)CC1 ZINC001023128953 736524204 /nfs/dbraw/zinc/52/42/04/736524204.db2.gz ZYORRIPRFRDRJI-CALCHBBNSA-N 1 1 329.448 0.502 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCCNC3=O)C2)nn1 ZINC000972517298 736529152 /nfs/dbraw/zinc/52/91/52/736529152.db2.gz PEHARNGODKPOMS-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001039575996 736578348 /nfs/dbraw/zinc/57/83/48/736578348.db2.gz JOVRESCPDASGMH-CRAIPNDOSA-N 1 1 335.448 0.354 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCC(=O)N3)[C@H]2C1 ZINC001083259654 736648263 /nfs/dbraw/zinc/64/82/63/736648263.db2.gz LTTOBJDOYCKNRG-HRCADAONSA-N 1 1 335.448 0.923 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1)C1CC1 ZINC001023296145 736655441 /nfs/dbraw/zinc/65/54/41/736655441.db2.gz PSZVYTDBQDBQNT-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cn(C)cn3)C2)C1=O ZINC001023309822 736667442 /nfs/dbraw/zinc/66/74/42/736667442.db2.gz CXTJIZSZERXUQR-ZBFHGGJFSA-N 1 1 345.447 0.649 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)c[nH]1 ZINC001023319915 736680073 /nfs/dbraw/zinc/68/00/73/736680073.db2.gz IZJDUMWJBQNPEQ-CQSZACIVSA-N 1 1 343.431 0.951 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@@]3(C1)CN(CC#N)CCO3)C2 ZINC000972552280 736698987 /nfs/dbraw/zinc/69/89/87/736698987.db2.gz MRFXTTCUHMZXAT-QAPCUYQASA-N 1 1 343.431 0.581 20 30 ECEDMO C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000972552948 736706156 /nfs/dbraw/zinc/70/61/56/736706156.db2.gz WVXMPGWEEPHZEN-LPHOPBHVSA-N 1 1 342.443 0.690 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972553197 736711821 /nfs/dbraw/zinc/71/18/21/736711821.db2.gz BPWKCRZRCBAETG-GOSISDBHSA-N 1 1 346.431 0.997 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnnn3C)C2)C1=O ZINC001023344413 736716314 /nfs/dbraw/zinc/71/63/14/736716314.db2.gz OAIGCXFJBBNQOV-KBPBESRZSA-N 1 1 346.435 0.044 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972556873 736747707 /nfs/dbraw/zinc/74/77/07/736747707.db2.gz JKDNZJCMQIGHJL-SFHVURJKSA-N 1 1 345.399 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972556873 736747712 /nfs/dbraw/zinc/74/77/12/736747712.db2.gz JKDNZJCMQIGHJL-SFHVURJKSA-N 1 1 345.399 0.736 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC000972561716 736790859 /nfs/dbraw/zinc/79/08/59/736790859.db2.gz VWSWDIOMFVGOLX-MDZRGWNJSA-N 1 1 342.443 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)C1 ZINC000972561716 736790860 /nfs/dbraw/zinc/79/08/60/736790860.db2.gz VWSWDIOMFVGOLX-MDZRGWNJSA-N 1 1 342.443 0.850 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC001023424171 736807764 /nfs/dbraw/zinc/80/77/64/736807764.db2.gz QFTOQPUHJVWSCI-AEFFLSMTSA-N 1 1 343.475 0.846 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001023438609 736830231 /nfs/dbraw/zinc/83/02/31/736830231.db2.gz AIKXGJZCNNMHOZ-CQSZACIVSA-N 1 1 326.404 0.898 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cncn3C)C2)C1=O ZINC001023471133 736883301 /nfs/dbraw/zinc/88/33/01/736883301.db2.gz DMCJZPXROOEZKB-GJZGRUSLSA-N 1 1 345.447 0.649 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3csnn3)C2)C1=O ZINC001023512139 736938956 /nfs/dbraw/zinc/93/89/56/736938956.db2.gz GZELUSWKWOYJMZ-OCCSQVGLSA-N 1 1 349.460 0.767 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(OC)n3)C2)C1 ZINC000972582255 736945213 /nfs/dbraw/zinc/94/52/13/736945213.db2.gz JDRVHMIHDJQHMF-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001023521372 736955373 /nfs/dbraw/zinc/95/53/73/736955373.db2.gz DQZSIJNCRRIEDK-ZDUSSCGKSA-N 1 1 342.407 0.159 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001023521206 736955579 /nfs/dbraw/zinc/95/55/79/736955579.db2.gz BMXQYHIZKJFAGU-LBPRGKRZSA-N 1 1 330.396 0.322 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001023525130 736956902 /nfs/dbraw/zinc/95/69/02/736956902.db2.gz MCYFXRNLOSSJPC-OAHLLOKOSA-N 1 1 330.432 0.862 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001023583979 737036228 /nfs/dbraw/zinc/03/62/28/737036228.db2.gz SICDTTGXXTXKIK-NSHDSACASA-N 1 1 341.437 0.075 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 ZINC000972598051 737041206 /nfs/dbraw/zinc/04/12/06/737041206.db2.gz ZCPBABWPUFHFAP-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 ZINC000972598051 737041210 /nfs/dbraw/zinc/04/12/10/737041210.db2.gz ZCPBABWPUFHFAP-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001023588722 737042043 /nfs/dbraw/zinc/04/20/43/737042043.db2.gz JPQBWGGRNHKHOP-HNNXBMFYSA-N 1 1 344.459 0.988 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972608365 737088240 /nfs/dbraw/zinc/08/82/40/737088240.db2.gz SXYVVTKIKGBETD-LBPRGKRZSA-N 1 1 345.432 0.729 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001023627488 737109500 /nfs/dbraw/zinc/10/95/00/737109500.db2.gz KAXSUHXTVPYLER-CABCVRRESA-N 1 1 326.462 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001023637176 737123477 /nfs/dbraw/zinc/12/34/77/737123477.db2.gz GEARLPFROLIDDY-SNVBAGLBSA-N 1 1 329.326 0.909 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001023637475 737123768 /nfs/dbraw/zinc/12/37/68/737123768.db2.gz MLPBOFXIPRFKAP-ZFWWWQNUSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001023645735 737137044 /nfs/dbraw/zinc/13/70/44/737137044.db2.gz AYBNLLJYSPNOPE-CYBMUJFWSA-N 1 1 327.388 0.900 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001023700343 737218904 /nfs/dbraw/zinc/21/89/04/737218904.db2.gz MSYCERYHVIZUKJ-NSHDSACASA-N 1 1 336.392 0.914 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC001023707012 737223417 /nfs/dbraw/zinc/22/34/17/737223417.db2.gz GLRRICXVNZLPBX-GJZGRUSLSA-N 1 1 331.416 0.916 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)cn1 ZINC001023709842 737227999 /nfs/dbraw/zinc/22/79/99/737227999.db2.gz CZPOWGCEZFRKSD-KBPBESRZSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@H](C)O)CCO3)nc1 ZINC000972644538 737233075 /nfs/dbraw/zinc/23/30/75/737233075.db2.gz ZAVRACMIJJEBOM-KBXCAEBGSA-N 1 1 329.400 0.361 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@H](C)O)CCO3)nc1 ZINC000972644538 737233077 /nfs/dbraw/zinc/23/30/77/737233077.db2.gz ZAVRACMIJJEBOM-KBXCAEBGSA-N 1 1 329.400 0.361 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972661212 737277381 /nfs/dbraw/zinc/27/73/81/737277381.db2.gz ZRLXKUSPLHWULN-QAPCUYQASA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972661212 737277385 /nfs/dbraw/zinc/27/73/85/737277385.db2.gz ZRLXKUSPLHWULN-QAPCUYQASA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067463834 737321072 /nfs/dbraw/zinc/32/10/72/737321072.db2.gz PDBGCWCQQOTNDF-LSDHHAIUSA-N 1 1 325.453 0.836 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972688826 737385841 /nfs/dbraw/zinc/38/58/41/737385841.db2.gz QQZOSXIWICGRSO-MAUKXSAKSA-N 1 1 343.431 0.167 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972688826 737385844 /nfs/dbraw/zinc/38/58/44/737385844.db2.gz QQZOSXIWICGRSO-MAUKXSAKSA-N 1 1 343.431 0.167 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972707081 737518253 /nfs/dbraw/zinc/51/82/53/737518253.db2.gz GFXWXQJMXWMOKK-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)cn1 ZINC000972754955 737595673 /nfs/dbraw/zinc/59/56/73/737595673.db2.gz AGUJRDMWEMURPS-JKSUJKDBSA-N 1 1 326.400 0.440 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)cn1 ZINC000972754951 737595680 /nfs/dbraw/zinc/59/56/80/737595680.db2.gz AGUJRDMWEMURPS-CVEARBPZSA-N 1 1 326.400 0.440 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3=COCCO3)C(C)(C)C2)C1=O ZINC000972783519 737662142 /nfs/dbraw/zinc/66/21/42/737662142.db2.gz QRHYSMCESYRQGQ-UKRRQHHQSA-N 1 1 349.431 0.488 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3=COCCO3)C(C)(C)C2)C1=O ZINC000972783519 737662145 /nfs/dbraw/zinc/66/21/45/737662145.db2.gz QRHYSMCESYRQGQ-UKRRQHHQSA-N 1 1 349.431 0.488 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn3cccnc23)[C@@H](n2ccnn2)C1 ZINC001069995811 790291226 /nfs/dbraw/zinc/29/12/26/790291226.db2.gz ATFCGJHYPDDPQW-KGLIPLIRSA-N 1 1 338.375 0.162 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn3cccnc23)[C@@H](n2ccnn2)C1 ZINC001069995811 790291231 /nfs/dbraw/zinc/29/12/31/790291231.db2.gz ATFCGJHYPDDPQW-KGLIPLIRSA-N 1 1 338.375 0.162 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1cnn(C)n1 ZINC001024488327 738015472 /nfs/dbraw/zinc/01/54/72/738015472.db2.gz XBJKCTWZBJIONT-IRXDYDNUSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1cnn(C)n1 ZINC001024488327 738015476 /nfs/dbraw/zinc/01/54/76/738015476.db2.gz XBJKCTWZBJIONT-IRXDYDNUSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cncn1C ZINC001024488356 738015961 /nfs/dbraw/zinc/01/59/61/738015961.db2.gz XTGNARQERBXKKY-AEFFLSMTSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cncn1C ZINC001024488356 738015963 /nfs/dbraw/zinc/01/59/63/738015963.db2.gz XTGNARQERBXKKY-AEFFLSMTSA-N 1 1 343.475 0.988 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]2CCC[N@@H+](CC(N)=O)[C@H]21 ZINC001087280661 738082313 /nfs/dbraw/zinc/08/23/13/738082313.db2.gz SFCVKCNVHVQWLR-NILFDRSVSA-N 1 1 329.404 0.590 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CN=NC1=O ZINC001087281936 738096338 /nfs/dbraw/zinc/09/63/38/738096338.db2.gz ONBBKZUFBZFFIY-VHDGCEQUSA-N 1 1 331.420 0.612 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001069997717 790293352 /nfs/dbraw/zinc/29/33/52/790293352.db2.gz SMIKSABEMUQDCU-ILXRZTDVSA-N 1 1 346.435 0.207 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C(C)(C)[C@H]21 ZINC001087294121 738135637 /nfs/dbraw/zinc/13/56/37/738135637.db2.gz OFDKXMDYYGPJTR-KCXAZCMYSA-N 1 1 344.415 0.187 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001024621055 738178277 /nfs/dbraw/zinc/17/82/77/738178277.db2.gz IVZGRBFAPKFVEV-CYBMUJFWSA-N 1 1 326.404 0.971 20 30 ECEDMO Cc1cc(NC[C@@H]2CN(C(=O)CSCC#N)CCO2)nc(C)[nH+]1 ZINC001111934663 738193474 /nfs/dbraw/zinc/19/34/74/738193474.db2.gz GTIKDUSKGRDNIQ-CYBMUJFWSA-N 1 1 335.433 0.990 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C(C)(C)[C@@H]21 ZINC001087310038 738243693 /nfs/dbraw/zinc/24/36/93/738243693.db2.gz PWBNTPFIRACXIB-KBRIMQKVSA-N 1 1 345.443 0.668 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c(C)n[nH]c3C)[C@H]2C1 ZINC001083271771 738277136 /nfs/dbraw/zinc/27/71/36/738277136.db2.gz AYSHYMHISPABSM-DLBZAZTESA-N 1 1 330.432 0.894 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3c(C)n[nH]c3C)[C@H]2C1 ZINC001083271771 738277139 /nfs/dbraw/zinc/27/71/39/738277139.db2.gz AYSHYMHISPABSM-DLBZAZTESA-N 1 1 330.432 0.894 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCn2cncn2)cn1 ZINC001024770904 738281997 /nfs/dbraw/zinc/28/19/97/738281997.db2.gz ZIXKLAUSPRGNQU-KRWDZBQOSA-N 1 1 338.415 0.939 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CCOCC2)C1 ZINC000973200491 738901441 /nfs/dbraw/zinc/90/14/41/738901441.db2.gz VHRHZSQMWOWNQY-JYJNAYRXSA-N 1 1 331.416 0.194 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=CCOCC2)C1 ZINC000973200491 738901443 /nfs/dbraw/zinc/90/14/43/738901443.db2.gz VHRHZSQMWOWNQY-JYJNAYRXSA-N 1 1 331.416 0.194 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025245725 738919700 /nfs/dbraw/zinc/91/97/00/738919700.db2.gz PSDZXHZAXOSXET-HZPDHXFCSA-N 1 1 345.447 0.451 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025244775 738929557 /nfs/dbraw/zinc/92/95/57/738929557.db2.gz LFRINCIGGUKFQS-HUUCEWRRSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025280395 739002726 /nfs/dbraw/zinc/00/27/26/739002726.db2.gz OHXYKTQZYVQIDR-HUUCEWRRSA-N 1 1 348.447 0.960 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCNC2=O)cc1 ZINC001028182829 751404983 /nfs/dbraw/zinc/40/49/83/751404983.db2.gz FZNVINWIMORXHS-WBVHZDCISA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCNC2=O)cc1 ZINC001028182829 751404987 /nfs/dbraw/zinc/40/49/87/751404987.db2.gz FZNVINWIMORXHS-WBVHZDCISA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCNC2=O)cc1 ZINC001028182828 751405059 /nfs/dbraw/zinc/40/50/59/751405059.db2.gz FZNVINWIMORXHS-RDJZCZTQSA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCNC2=O)cc1 ZINC001028182828 751405062 /nfs/dbraw/zinc/40/50/62/751405062.db2.gz FZNVINWIMORXHS-RDJZCZTQSA-N 1 1 341.411 0.781 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000973465900 739334896 /nfs/dbraw/zinc/33/48/96/739334896.db2.gz BYGZDQLIJUXTNQ-XIRDDKMYSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000973466900 739336696 /nfs/dbraw/zinc/33/66/96/739336696.db2.gz NTPHYWDELOGYLS-JQFCIGGWSA-N 1 1 340.427 0.782 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001025388180 739347982 /nfs/dbraw/zinc/34/79/82/739347982.db2.gz FFOWHWOCXNGKTO-OLZOCXBDSA-N 1 1 343.431 0.995 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H](C)C(=O)NC)C3)c1 ZINC000982002322 751442082 /nfs/dbraw/zinc/44/20/82/751442082.db2.gz ODABFBQRMLQPSW-AWEZNQCLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001025454171 739547991 /nfs/dbraw/zinc/54/79/91/739547991.db2.gz WQNZBCNYRNCLAI-KGLIPLIRSA-N 1 1 326.404 0.896 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2O)C1 ZINC001025540933 739701632 /nfs/dbraw/zinc/70/16/32/739701632.db2.gz GDCLGLCCUWVAHE-RRFJBIMHSA-N 1 1 335.448 0.372 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC(=O)NC)C2)nn1 ZINC001025558592 739718210 /nfs/dbraw/zinc/71/82/10/739718210.db2.gz OEONDXIRKIABQV-KGLIPLIRSA-N 1 1 348.451 0.431 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001025594906 739759843 /nfs/dbraw/zinc/75/98/43/739759843.db2.gz JHTLZKYDOFDAIY-CHWSQXEVSA-N 1 1 344.419 0.824 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025596442 739760760 /nfs/dbraw/zinc/76/07/60/739760760.db2.gz CLZLKIVIPHHPQO-KBPBESRZSA-N 1 1 344.415 0.409 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025618269 739780884 /nfs/dbraw/zinc/78/08/84/739780884.db2.gz KGOIYLUBIRCBKG-STQMWFEESA-N 1 1 332.404 0.340 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001006531365 751486531 /nfs/dbraw/zinc/48/65/31/751486531.db2.gz WQFPEZBIFPOJPA-DZGCQCFKSA-N 1 1 340.427 0.591 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001025683928 739858974 /nfs/dbraw/zinc/85/89/74/739858974.db2.gz UZVLSOXWHGFNMN-DJIMGWMZSA-N 1 1 349.475 0.905 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001025705236 739882164 /nfs/dbraw/zinc/88/21/64/739882164.db2.gz KDKSARGGFHEPNI-DMRKSPOLSA-N 1 1 339.395 0.914 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001025705236 739882169 /nfs/dbraw/zinc/88/21/69/739882169.db2.gz KDKSARGGFHEPNI-DMRKSPOLSA-N 1 1 339.395 0.914 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)C1 ZINC001058663493 740037433 /nfs/dbraw/zinc/03/74/33/740037433.db2.gz UPDJEGJKPRVQRW-GJZGRUSLSA-N 1 1 338.452 0.205 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001068464018 790320356 /nfs/dbraw/zinc/32/03/56/790320356.db2.gz UJOHDDZMMSYIJX-LSDHHAIUSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2cc[nH]n2)C1 ZINC000988084988 751513888 /nfs/dbraw/zinc/51/38/88/751513888.db2.gz BTPZIXJVJMKASM-ZBFHGGJFSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2cc[nH]n2)C1 ZINC000988084988 751513891 /nfs/dbraw/zinc/51/38/91/751513891.db2.gz BTPZIXJVJMKASM-ZBFHGGJFSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2ccn[nH]2)C1 ZINC000988084988 751513897 /nfs/dbraw/zinc/51/38/97/751513897.db2.gz BTPZIXJVJMKASM-ZBFHGGJFSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2ccn[nH]2)C1 ZINC000988084988 751513902 /nfs/dbraw/zinc/51/39/02/751513902.db2.gz BTPZIXJVJMKASM-ZBFHGGJFSA-N 1 1 343.431 0.428 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000988094293 751525380 /nfs/dbraw/zinc/52/53/80/751525380.db2.gz XNHBKGJULBGGFZ-JMSVASOKSA-N 1 1 329.404 0.557 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001025937552 740265883 /nfs/dbraw/zinc/26/58/83/740265883.db2.gz OWSNKUAPSXDTTL-DMRKSPOLSA-N 1 1 338.411 0.616 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001025937552 740265886 /nfs/dbraw/zinc/26/58/86/740265886.db2.gz OWSNKUAPSXDTTL-DMRKSPOLSA-N 1 1 338.411 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CCOCC2)C1 ZINC000973793960 740269083 /nfs/dbraw/zinc/26/90/83/740269083.db2.gz NGXPQNWPEWGLPX-XHSDSOJGSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CCOCC2)C1 ZINC000973793960 740269084 /nfs/dbraw/zinc/26/90/84/740269084.db2.gz NGXPQNWPEWGLPX-XHSDSOJGSA-N 1 1 333.432 0.274 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4C[C@@]45CCOC5)C[C@H]32)nn1 ZINC001026094170 740370393 /nfs/dbraw/zinc/37/03/93/740370393.db2.gz IZSHGFYEDHLONP-BEHLRCOKSA-N 1 1 343.431 0.551 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000982073219 751562995 /nfs/dbraw/zinc/56/29/95/751562995.db2.gz KFQRNSQSOYTCPT-UHFFFAOYSA-N 1 1 334.420 0.429 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000973967972 740690839 /nfs/dbraw/zinc/69/08/39/740690839.db2.gz WZWJNJXXJBSTPV-LEOABGAYSA-N 1 1 335.448 0.825 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000974048776 740846114 /nfs/dbraw/zinc/84/61/14/740846114.db2.gz LOTWRRDSOIGEPU-BETUJISGSA-N 1 1 326.360 0.469 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000974048973 740846426 /nfs/dbraw/zinc/84/64/26/740846426.db2.gz WORANCVXJJYOHX-LQKXBSAESA-N 1 1 343.431 0.994 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCn3cncn3)C2)nn1 ZINC001098611214 740884170 /nfs/dbraw/zinc/88/41/70/740884170.db2.gz AEBKAKGECLJMPP-AWEZNQCLSA-N 1 1 330.396 0.009 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000974142970 740999177 /nfs/dbraw/zinc/99/91/77/740999177.db2.gz VWVCIRNSVHMKCE-MELADBBJSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCn3cccn3)C2)nn1 ZINC001098614993 741042276 /nfs/dbraw/zinc/04/22/76/741042276.db2.gz GCLHVQIBFFPXAQ-OAHLLOKOSA-N 1 1 329.408 0.614 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000974211990 741112107 /nfs/dbraw/zinc/11/21/07/741112107.db2.gz BNTAXTRFDUYMNF-FZKCQIBNSA-N 1 1 347.459 0.969 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NC)C3)nc1 ZINC000982119511 751611754 /nfs/dbraw/zinc/61/17/54/751611754.db2.gz ADELTJMCWLRGDD-UHFFFAOYSA-N 1 1 326.400 0.347 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NC)C3)nc1 ZINC000982119511 751611758 /nfs/dbraw/zinc/61/17/58/751611758.db2.gz ADELTJMCWLRGDD-UHFFFAOYSA-N 1 1 326.400 0.347 20 30 ECEDMO N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001059857295 751613262 /nfs/dbraw/zinc/61/32/62/751613262.db2.gz WZVMQVASFKNCLF-XUWVNRHRSA-N 1 1 341.415 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ocnc2CC)C1 ZINC000974264874 741196523 /nfs/dbraw/zinc/19/65/23/741196523.db2.gz FTZAJGWNORXXSR-GUTXKFCHSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ocnc2CC)C1 ZINC000974264874 741196525 /nfs/dbraw/zinc/19/65/25/741196525.db2.gz FTZAJGWNORXXSR-GUTXKFCHSA-N 1 1 344.415 0.712 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+]([C@@H](C)C(N)=O)C3)cn1 ZINC000982122710 751617901 /nfs/dbraw/zinc/61/79/01/751617901.db2.gz NZUBALBUMJAVQC-ZDUSSCGKSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H](C)C(N)=O)C3)cn1 ZINC000982122710 751617903 /nfs/dbraw/zinc/61/79/03/751617903.db2.gz NZUBALBUMJAVQC-ZDUSSCGKSA-N 1 1 326.400 0.475 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3ccccn3)C2)nn1 ZINC001105132971 741404570 /nfs/dbraw/zinc/40/45/70/741404570.db2.gz ILJQCXIEQYDFSA-UHFFFAOYSA-N 1 1 342.403 0.662 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC000982141667 751636330 /nfs/dbraw/zinc/63/63/30/751636330.db2.gz OFKDDGJZHPMPGT-CQSZACIVSA-N 1 1 348.447 0.865 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[N@@H+](CCn3cccn3)CC2)nn1 ZINC000982143401 751640171 /nfs/dbraw/zinc/64/01/71/751640171.db2.gz VQNDWQGEVWKAHJ-UHFFFAOYSA-N 1 1 343.435 0.899 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC000982143951 751640924 /nfs/dbraw/zinc/64/09/24/751640924.db2.gz OUOIOILWWXBYJZ-UHFFFAOYSA-N 1 1 334.420 0.381 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC3(C)C)C2)nn1 ZINC001105213859 741477551 /nfs/dbraw/zinc/47/75/51/741477551.db2.gz QWYILCRHRGCRQL-OAHLLOKOSA-N 1 1 333.436 1.000 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000982143934 751641216 /nfs/dbraw/zinc/64/12/16/751641216.db2.gz OFPAJYCHPMXFOY-UHFFFAOYSA-N 1 1 339.823 0.812 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000982143934 751641222 /nfs/dbraw/zinc/64/12/22/751641222.db2.gz OFPAJYCHPMXFOY-UHFFFAOYSA-N 1 1 339.823 0.812 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240500 741531469 /nfs/dbraw/zinc/53/14/69/741531469.db2.gz PNTYZNBMTXQUBW-GDBMZVCRSA-N 1 1 344.463 0.811 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC000982148434 751647267 /nfs/dbraw/zinc/64/72/67/751647267.db2.gz IYXVLBFRUNOYNJ-UHFFFAOYSA-N 1 1 332.404 0.600 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3ccnn3C)C2)nn1 ZINC001105251949 741560863 /nfs/dbraw/zinc/56/08/63/741560863.db2.gz AMYHKWUYXSNJCD-UHFFFAOYSA-N 1 1 343.435 0.693 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CO[C@H](C)C3)C2)nn1 ZINC001105270972 741615740 /nfs/dbraw/zinc/61/57/40/741615740.db2.gz RLDWYBIQPUMBSG-KGLIPLIRSA-N 1 1 349.435 0.379 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3COCCN3CC)C2)nn1 ZINC001105272291 741617496 /nfs/dbraw/zinc/61/74/96/741617496.db2.gz FLOKCKXOVLHMCQ-INIZCTEOSA-N 1 1 348.451 0.048 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(COC)CCOC3)C2)nn1 ZINC001105292390 741656053 /nfs/dbraw/zinc/65/60/53/741656053.db2.gz NCHAICOAXFQFFW-QGZVFWFLSA-N 1 1 349.435 0.380 20 30 ECEDMO C=C1CCC(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001058726700 741660722 /nfs/dbraw/zinc/66/07/22/741660722.db2.gz IPJVENDYJXUYDJ-MRXNPFEDSA-N 1 1 337.464 0.622 20 30 ECEDMO C=CCC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)c3[nH]nnc3C)C2)nn1 ZINC001105295075 741667392 /nfs/dbraw/zinc/66/73/92/741667392.db2.gz XQJOJYJWVBCQRS-LLVKDONJSA-N 1 1 344.423 0.846 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](F)CC)C2)nn1 ZINC001105301655 741686922 /nfs/dbraw/zinc/68/69/22/741686922.db2.gz UGGIWUNGLNDAIS-AWEZNQCLSA-N 1 1 325.388 0.702 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1 ZINC001105328454 741819446 /nfs/dbraw/zinc/81/94/46/741819446.db2.gz FNHVXXBHKDFDGK-UHFFFAOYSA-N 1 1 344.463 0.506 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001105328454 741819449 /nfs/dbraw/zinc/81/94/49/741819449.db2.gz FNHVXXBHKDFDGK-UHFFFAOYSA-N 1 1 344.463 0.506 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3n[nH]cc3C)C(C)(C)C2)C1=O ZINC000974579612 741917407 /nfs/dbraw/zinc/91/74/07/741917407.db2.gz SOTWLGAYNGBKRK-UONOGXRCSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3n[nH]cc3C)C(C)(C)C2)C1=O ZINC000974579612 741917409 /nfs/dbraw/zinc/91/74/09/741917409.db2.gz SOTWLGAYNGBKRK-UONOGXRCSA-N 1 1 345.447 0.945 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974601634 741924311 /nfs/dbraw/zinc/92/43/11/741924311.db2.gz KGMZDJSZNZBQHR-ZDUSSCGKSA-N 1 1 345.432 0.633 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974601634 741924315 /nfs/dbraw/zinc/92/43/15/741924315.db2.gz KGMZDJSZNZBQHR-ZDUSSCGKSA-N 1 1 345.432 0.633 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(=O)C3CC3)C2)nn1 ZINC001098622852 742072640 /nfs/dbraw/zinc/07/26/40/742072640.db2.gz RATRMEVJPIQBLJ-HNNXBMFYSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974746798 742133214 /nfs/dbraw/zinc/13/32/14/742133214.db2.gz ADQWLEHXZLDWTG-GFCCVEGCSA-N 1 1 341.433 0.943 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000974864906 742271645 /nfs/dbraw/zinc/27/16/45/742271645.db2.gz NMALDOVGGJIDCX-OAHLLOKOSA-N 1 1 339.403 0.521 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000974864906 742271648 /nfs/dbraw/zinc/27/16/48/742271648.db2.gz NMALDOVGGJIDCX-OAHLLOKOSA-N 1 1 339.403 0.521 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C(C)(C)C1 ZINC000974901070 742318758 /nfs/dbraw/zinc/31/87/58/742318758.db2.gz ZOZUUHSDQHZFER-CQSZACIVSA-N 1 1 341.415 0.346 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C(C)(C)C1 ZINC000974990309 742438216 /nfs/dbraw/zinc/43/82/16/742438216.db2.gz YXQKWEDGTIRXNJ-XJKSGUPXSA-N 1 1 329.448 0.770 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)c1 ZINC000975011430 742446216 /nfs/dbraw/zinc/44/62/16/742446216.db2.gz KYBNKNWXGRZJOJ-XJKSGUPXSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)CC2(C)C)c1 ZINC000975011430 742446217 /nfs/dbraw/zinc/44/62/17/742446217.db2.gz KYBNKNWXGRZJOJ-XJKSGUPXSA-N 1 1 342.443 0.980 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[NH2+]Cc3noc(CC)n3)C2)nn1 ZINC001027111222 742598222 /nfs/dbraw/zinc/59/82/22/742598222.db2.gz ZONOEPRJLZUZFJ-GFCCVEGCSA-N 1 1 345.407 0.661 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)C1=O ZINC000982237041 751748141 /nfs/dbraw/zinc/74/81/41/751748141.db2.gz UAANVLYANKUOSP-IHETXDGRSA-N 1 1 332.448 0.937 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC001125982193 742681255 /nfs/dbraw/zinc/68/12/55/742681255.db2.gz RXJGUUJJWLGUST-UHFFFAOYSA-N 1 1 348.350 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC000975362122 742753249 /nfs/dbraw/zinc/75/32/49/742753249.db2.gz RLQDQLXJPBBQIB-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC000975362122 742753252 /nfs/dbraw/zinc/75/32/52/742753252.db2.gz RLQDQLXJPBBQIB-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028936186 742913038 /nfs/dbraw/zinc/91/30/38/742913038.db2.gz RALGZUMJQAOPQS-CJNGLKHVSA-N 1 1 326.400 0.775 20 30 ECEDMO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCC(=O)N1 ZINC001028935794 742917075 /nfs/dbraw/zinc/91/70/75/742917075.db2.gz LWNTWODMHFURLQ-SJORKVTESA-N 1 1 325.412 0.755 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001028936020 742918282 /nfs/dbraw/zinc/91/82/82/742918282.db2.gz AMVCFMHJWIIFLS-ZIAGYGMSSA-N 1 1 344.415 0.280 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)nc1 ZINC001028939465 742928983 /nfs/dbraw/zinc/92/89/83/742928983.db2.gz OJTXGXMMQOHCBY-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001028939964 742937198 /nfs/dbraw/zinc/93/71/98/742937198.db2.gz VSNQAFXDCWRZAK-DZGCQCFKSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1=O ZINC000996971181 743080220 /nfs/dbraw/zinc/08/02/20/743080220.db2.gz CMWVJRJFZLAKEX-ZDUSSCGKSA-N 1 1 347.419 0.107 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(CC(=O)N3CCC3)C2)CC1 ZINC001029002730 743156856 /nfs/dbraw/zinc/15/68/56/743156856.db2.gz XTOZTIHQDZDLHQ-MRXNPFEDSA-N 1 1 346.475 0.002 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cncnc1C ZINC001075754550 743164841 /nfs/dbraw/zinc/16/48/41/743164841.db2.gz KVQVKTIKRWCIOW-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cncnc1C ZINC001075754550 743164844 /nfs/dbraw/zinc/16/48/44/743164844.db2.gz KVQVKTIKRWCIOW-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC001125999157 743184404 /nfs/dbraw/zinc/18/44/04/743184404.db2.gz YYQNDVSXSPBPKT-UHFFFAOYSA-N 1 1 341.371 0.082 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000997093884 743226260 /nfs/dbraw/zinc/22/62/60/743226260.db2.gz RVSXMWDOQMSJRL-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO C[NH+]=C(NCCN1CCSCC1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261988890 743301233 /nfs/dbraw/zinc/30/12/33/743301233.db2.gz QVZHXVAJIKCFLR-DZGCQCFKSA-N 1 1 325.526 0.683 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCCCC(=O)NC)C2)nn1 ZINC001105380619 743376967 /nfs/dbraw/zinc/37/69/67/743376967.db2.gz BXUGUVXHKXKBIS-UHFFFAOYSA-N 1 1 348.451 0.634 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)[nH]n1 ZINC001083402020 743383199 /nfs/dbraw/zinc/38/31/99/743383199.db2.gz JRRAMPYCSAVMDD-SJORKVTESA-N 1 1 339.399 0.494 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)[nH]n1 ZINC001083402020 743383205 /nfs/dbraw/zinc/38/32/05/743383205.db2.gz JRRAMPYCSAVMDD-SJORKVTESA-N 1 1 339.399 0.494 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)[nH]n1 ZINC001083402020 743383214 /nfs/dbraw/zinc/38/32/14/743383214.db2.gz JRRAMPYCSAVMDD-SJORKVTESA-N 1 1 339.399 0.494 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H](C)C#N)C[C@@H]21 ZINC000975966339 743433919 /nfs/dbraw/zinc/43/39/19/743433919.db2.gz YLGMTGBOGBIQSX-SNPRPXQTSA-N 1 1 329.404 0.801 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([NH2+]CCn3cncn3)CC2)CC1 ZINC000997364912 743535863 /nfs/dbraw/zinc/53/58/63/743535863.db2.gz OSUDKOGMVYLATM-UHFFFAOYSA-N 1 1 344.463 0.204 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001059170754 743542967 /nfs/dbraw/zinc/54/29/67/743542967.db2.gz PTQKOBIUDQXFOO-KKUMJFAQSA-N 1 1 329.404 0.651 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001059170754 743542973 /nfs/dbraw/zinc/54/29/73/743542973.db2.gz PTQKOBIUDQXFOO-KKUMJFAQSA-N 1 1 329.404 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC=CC1 ZINC000976296012 743795227 /nfs/dbraw/zinc/79/52/27/743795227.db2.gz OVYNKPRCJGNNHK-VVLHAWIVSA-N 1 1 327.428 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC=CC1 ZINC000976296012 743795229 /nfs/dbraw/zinc/79/52/29/743795229.db2.gz OVYNKPRCJGNNHK-VVLHAWIVSA-N 1 1 327.428 0.623 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000976314572 743823001 /nfs/dbraw/zinc/82/30/01/743823001.db2.gz ZDJBFOIEMSYRCH-CGSPGFDNSA-N 1 1 335.448 0.492 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000976314572 743823005 /nfs/dbraw/zinc/82/30/05/743823005.db2.gz ZDJBFOIEMSYRCH-CGSPGFDNSA-N 1 1 335.448 0.492 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027343927 743826446 /nfs/dbraw/zinc/82/64/46/743826446.db2.gz KNZXXPVFKAYEAH-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027343927 743826449 /nfs/dbraw/zinc/82/64/49/743826449.db2.gz KNZXXPVFKAYEAH-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@@]2(C)C1 ZINC000982283796 751864368 /nfs/dbraw/zinc/86/43/68/751864368.db2.gz ZUAKIFSUHBSCSX-CALCHBBNSA-N 1 1 346.435 0.124 20 30 ECEDMO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@@H+](CC(=O)NC)CC1 ZINC000997956289 743902986 /nfs/dbraw/zinc/90/29/86/743902986.db2.gz CNXHFUWVMURDKQ-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001006823297 751875121 /nfs/dbraw/zinc/87/51/21/751875121.db2.gz CXUYRKXIUGCHDU-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1C ZINC000976475426 744003380 /nfs/dbraw/zinc/00/33/80/744003380.db2.gz ULNFKDKXSKJSNI-KNCOVGOOSA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1C ZINC000976475426 744003384 /nfs/dbraw/zinc/00/33/84/744003384.db2.gz ULNFKDKXSKJSNI-KNCOVGOOSA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC000998175877 744030095 /nfs/dbraw/zinc/03/00/95/744030095.db2.gz YHGRYWBJZPDNAH-LBPRGKRZSA-N 1 1 348.403 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000998199579 744046078 /nfs/dbraw/zinc/04/60/78/744046078.db2.gz XGLPADLWLHPEBV-ZDUSSCGKSA-N 1 1 332.404 0.436 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000998199575 744046430 /nfs/dbraw/zinc/04/64/30/744046430.db2.gz XGLPADLWLHPEBV-CYBMUJFWSA-N 1 1 332.404 0.436 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000976555016 744080401 /nfs/dbraw/zinc/08/04/01/744080401.db2.gz AKPPBUZKFXOXGM-APHBMKBZSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@H]3CCCO3)C[C@H]21 ZINC000976742581 744278510 /nfs/dbraw/zinc/27/85/10/744278510.db2.gz UUZKNAWSFZBPKC-LFRCEIEQSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@H]3CCCO3)C[C@H]21 ZINC000976742581 744278513 /nfs/dbraw/zinc/27/85/13/744278513.db2.gz UUZKNAWSFZBPKC-LFRCEIEQSA-N 1 1 345.443 0.226 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000976847116 744411419 /nfs/dbraw/zinc/41/14/19/744411419.db2.gz HFMSAFZMCYQAFT-VIKVFOODSA-N 1 1 338.371 0.278 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001027438284 744415970 /nfs/dbraw/zinc/41/59/70/744415970.db2.gz KDJUILWDVNTEFZ-LBPRGKRZSA-N 1 1 327.388 0.844 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccnn2C)C1 ZINC001027446493 744486096 /nfs/dbraw/zinc/48/60/96/744486096.db2.gz LNAWNMNAPYQULB-AEFFLSMTSA-N 1 1 343.475 0.941 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccnn2C)C1 ZINC001027446493 744486098 /nfs/dbraw/zinc/48/60/98/744486098.db2.gz LNAWNMNAPYQULB-AEFFLSMTSA-N 1 1 343.475 0.941 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001087421161 744541833 /nfs/dbraw/zinc/54/18/33/744541833.db2.gz POXBEQMYLNYLSU-IAGOWNOFSA-N 1 1 338.415 0.671 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001087421161 744541836 /nfs/dbraw/zinc/54/18/36/744541836.db2.gz POXBEQMYLNYLSU-IAGOWNOFSA-N 1 1 338.415 0.671 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cncc(OC)n3)C2)nn1 ZINC001105339664 744572058 /nfs/dbraw/zinc/57/20/58/744572058.db2.gz VRJSXFGYWGFKKA-UHFFFAOYSA-N 1 1 329.364 0.049 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ncc(C)cn2)C1 ZINC000999393644 744672587 /nfs/dbraw/zinc/67/25/87/744672587.db2.gz XMRXPGTXVLGQKF-SJORKVTESA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ncc(C)cn2)C1 ZINC000999393644 744672590 /nfs/dbraw/zinc/67/25/90/744672590.db2.gz XMRXPGTXVLGQKF-SJORKVTESA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nc(CC)no2)C1 ZINC000999393820 744672657 /nfs/dbraw/zinc/67/26/57/744672657.db2.gz YNGBCFACKKPDKE-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nc(CC)no2)C1 ZINC000999393820 744672661 /nfs/dbraw/zinc/67/26/61/744672661.db2.gz YNGBCFACKKPDKE-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CC([NH2+]Cc3nonc3C)C2)nn1 ZINC000999539206 744747775 /nfs/dbraw/zinc/74/77/75/744747775.db2.gz AFKSEIFXWFJRMR-UHFFFAOYSA-N 1 1 345.407 0.938 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC000977217500 744796788 /nfs/dbraw/zinc/79/67/88/744796788.db2.gz OBMZOXUWPIQBEA-UDOHHAEJSA-N 1 1 347.459 0.492 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977276317 744830499 /nfs/dbraw/zinc/83/04/99/744830499.db2.gz YNEZBUGDAWUAAB-CHWSQXEVSA-N 1 1 334.424 0.168 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977276317 744830500 /nfs/dbraw/zinc/83/05/00/744830500.db2.gz YNEZBUGDAWUAAB-CHWSQXEVSA-N 1 1 334.424 0.168 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C(C)(C)C1 ZINC000977367202 744895971 /nfs/dbraw/zinc/89/59/71/744895971.db2.gz HUWZTFOKZUPZQM-ZDUSSCGKSA-N 1 1 332.404 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc[nH]n1 ZINC000977405180 744930617 /nfs/dbraw/zinc/93/06/17/744930617.db2.gz IDQVWOIMDSXHKG-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc[nH]n1 ZINC000977405180 744930619 /nfs/dbraw/zinc/93/06/19/744930619.db2.gz IDQVWOIMDSXHKG-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccn[nH]1 ZINC000977405180 744930623 /nfs/dbraw/zinc/93/06/23/744930623.db2.gz IDQVWOIMDSXHKG-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccn[nH]1 ZINC000977405180 744930626 /nfs/dbraw/zinc/93/06/26/744930626.db2.gz IDQVWOIMDSXHKG-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999846658 744938982 /nfs/dbraw/zinc/93/89/82/744938982.db2.gz DXPKURDSBXGVLU-BMFZPTHFSA-N 1 1 335.448 0.779 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000999892807 745022603 /nfs/dbraw/zinc/02/26/03/745022603.db2.gz ZQLQLRVZNNNBIU-KBXCAEBGSA-N 1 1 339.439 0.735 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc[n+]([O-])cc3)nn2)C1 ZINC000999947627 745082317 /nfs/dbraw/zinc/08/23/17/745082317.db2.gz AXAJGKJGSCBODB-MRXNPFEDSA-N 1 1 340.387 0.112 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 ZINC000999955337 745095180 /nfs/dbraw/zinc/09/51/80/745095180.db2.gz IVQVGAZWWLFHJM-LSDHHAIUSA-N 1 1 335.408 0.133 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncnc3C)nn2)C1 ZINC000999956130 745096683 /nfs/dbraw/zinc/09/66/83/745096683.db2.gz OFAFIASHRRDIPR-CQSZACIVSA-N 1 1 325.376 0.187 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 ZINC000999957014 745097368 /nfs/dbraw/zinc/09/73/68/745097368.db2.gz SPHKFZVSFAIPJC-HZPDHXFCSA-N 1 1 349.435 0.523 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)C(C)(C)C1 ZINC000977480170 745105279 /nfs/dbraw/zinc/10/52/79/745105279.db2.gz YSOLCLSQYIKMDW-AWEZNQCLSA-N 1 1 326.404 0.884 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ocnc3C)nn2)C1 ZINC000999970680 745118203 /nfs/dbraw/zinc/11/82/03/745118203.db2.gz DIISBWLSWRFUKM-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccc(=O)[nH]3)nn2)C1 ZINC000999970876 745119022 /nfs/dbraw/zinc/11/90/22/745119022.db2.gz LJQWLECUJPERSW-ZDUSSCGKSA-N 1 1 326.360 0.189 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)s3)nn2)C1 ZINC000999971258 745119268 /nfs/dbraw/zinc/11/92/68/745119268.db2.gz MVFAKOSEXYPDIF-CYBMUJFWSA-N 1 1 330.417 0.853 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3COCCN3C)nn2)C1 ZINC000999973566 745121823 /nfs/dbraw/zinc/12/18/23/745121823.db2.gz GJFVSPNJKPBSAW-HZPDHXFCSA-N 1 1 348.451 0.048 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC000999978164 745126633 /nfs/dbraw/zinc/12/66/33/745126633.db2.gz FUZMRNDTBUZSOY-OAHLLOKOSA-N 1 1 337.387 0.678 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC000999977937 745126984 /nfs/dbraw/zinc/12/69/84/745126984.db2.gz COTKCLKVHCVTIH-RISCZKNCSA-N 1 1 343.391 0.035 20 30 ECEDMO N#Cc1ccc(C(=O)NCc2cn([C@@H]3CC[N@H+](CCCO)C3)nn2)[nH]1 ZINC000999979708 745129675 /nfs/dbraw/zinc/12/96/75/745129675.db2.gz JNRYAJNXJJKMJX-CQSZACIVSA-N 1 1 343.391 0.037 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(C(F)F)n3)nn2)C1 ZINC000999986274 745140387 /nfs/dbraw/zinc/14/03/87/745140387.db2.gz GWBLEGRLYXTBQG-LBPRGKRZSA-N 1 1 349.345 0.680 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(F)cn3)nn2)C1 ZINC000999986499 745140480 /nfs/dbraw/zinc/14/04/80/745140480.db2.gz SXGKTJCYPCGLMI-CQSZACIVSA-N 1 1 328.351 0.622 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnnn3CC)nn2)C1 ZINC000999988323 745144455 /nfs/dbraw/zinc/14/44/55/745144455.db2.gz BNLUXAZNPVJMSN-CQSZACIVSA-N 1 1 342.407 0.090 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000977528127 745148075 /nfs/dbraw/zinc/14/80/75/745148075.db2.gz UZNCCUBSKOYFES-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000977528127 745148078 /nfs/dbraw/zinc/14/80/78/745148078.db2.gz UZNCCUBSKOYFES-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C(C)(C)C1 ZINC000977528816 745148821 /nfs/dbraw/zinc/14/88/21/745148821.db2.gz VYDDJTJCKDMJCC-CQSZACIVSA-N 1 1 325.368 0.644 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C(C)(C)C1 ZINC000977528816 745148826 /nfs/dbraw/zinc/14/88/26/745148826.db2.gz VYDDJTJCKDMJCC-CQSZACIVSA-N 1 1 325.368 0.644 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000977529873 745150568 /nfs/dbraw/zinc/15/05/68/745150568.db2.gz XJSWZELSTISWGX-CABCVRRESA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000977529873 745150573 /nfs/dbraw/zinc/15/05/73/745150573.db2.gz XJSWZELSTISWGX-CABCVRRESA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccsn3)nn2)C1 ZINC000999995696 745154785 /nfs/dbraw/zinc/15/47/85/745154785.db2.gz HGWCMXLKPCUAEX-CYBMUJFWSA-N 1 1 330.417 0.935 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnc[nH]c3=O)nn2)C1 ZINC000999996274 745157004 /nfs/dbraw/zinc/15/70/04/745157004.db2.gz IXPQFERAVLPFSO-LBPRGKRZSA-N 1 1 329.364 0.137 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCCO[C@H]3C)nn2)C1 ZINC000999998030 745158266 /nfs/dbraw/zinc/15/82/66/745158266.db2.gz QEUJCSJVGWXGJF-CFVMTHIKSA-N 1 1 335.408 0.131 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2nnn(C)n2)CC1 ZINC001029145349 745164080 /nfs/dbraw/zinc/16/40/80/745164080.db2.gz CILOQVOBXHFQAT-YUELXQCFSA-N 1 1 348.451 0.518 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cn(C)cn1 ZINC000977549000 745170898 /nfs/dbraw/zinc/17/08/98/745170898.db2.gz UOVOMRMKQMXJQD-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cn(C)cn1 ZINC000977549000 745170904 /nfs/dbraw/zinc/17/09/04/745170904.db2.gz UOVOMRMKQMXJQD-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)cnn3C)nn2)C1 ZINC001000015750 745185052 /nfs/dbraw/zinc/18/50/52/745185052.db2.gz PNLBCSZSZPWWMU-AWEZNQCLSA-N 1 1 329.408 0.683 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc4n[nH]cc4c3)nn2)C1 ZINC001000015565 745185316 /nfs/dbraw/zinc/18/53/16/745185316.db2.gz NWZFPZUVAPMZCN-MRXNPFEDSA-N 1 1 349.398 0.964 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 ZINC001000019361 745189668 /nfs/dbraw/zinc/18/96/68/745189668.db2.gz CXHCPRCXHFJVME-LBPRGKRZSA-N 1 1 333.371 0.893 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]ncc3F)nn2)C1 ZINC001000019361 745189671 /nfs/dbraw/zinc/18/96/71/745189671.db2.gz CXHCPRCXHFJVME-LBPRGKRZSA-N 1 1 333.371 0.893 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]ncc3F)nn2)C1 ZINC001000019361 745189672 /nfs/dbraw/zinc/18/96/72/745189672.db2.gz CXHCPRCXHFJVME-LBPRGKRZSA-N 1 1 333.371 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001059212633 745207977 /nfs/dbraw/zinc/20/79/77/745207977.db2.gz FFWASCWNELFNND-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001059212633 745207980 /nfs/dbraw/zinc/20/79/80/745207980.db2.gz FFWASCWNELFNND-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001059212633 745207982 /nfs/dbraw/zinc/20/79/82/745207982.db2.gz FFWASCWNELFNND-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001059212633 745207985 /nfs/dbraw/zinc/20/79/85/745207985.db2.gz FFWASCWNELFNND-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCn3ccnc3)C2)nn1 ZINC001098696949 745212657 /nfs/dbraw/zinc/21/26/57/745212657.db2.gz AFLQWZLSSNIELK-OAHLLOKOSA-N 1 1 329.408 0.614 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C(C)C)nn3)nn2)C1 ZINC001000038476 745216788 /nfs/dbraw/zinc/21/67/88/745216788.db2.gz WGUAKMAGTULDDC-AWEZNQCLSA-N 1 1 344.423 0.813 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3nonc3C)nn2)C1 ZINC001000041547 745221319 /nfs/dbraw/zinc/22/13/19/745221319.db2.gz FVOGEBAPLXZRAT-ZDUSSCGKSA-N 1 1 329.364 0.170 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(=O)[nH]c3)nn2)C1 ZINC001000045195 745226575 /nfs/dbraw/zinc/22/65/75/745226575.db2.gz ODTNZSFEYGPLOV-CQSZACIVSA-N 1 1 326.360 0.189 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000977609200 745264637 /nfs/dbraw/zinc/26/46/37/745264637.db2.gz XQHOJAXEQYGTIL-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC(C)C)C(N)=O)C2)nn1 ZINC001105385262 745265492 /nfs/dbraw/zinc/26/54/92/745265492.db2.gz WRIHZIWWZCIKEU-AWEZNQCLSA-N 1 1 334.424 0.085 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3nnc(C)o3)C2)nn1 ZINC001020699844 751988270 /nfs/dbraw/zinc/98/82/70/751988270.db2.gz AZQROMFTTKGXPU-DLOVCJGASA-N 1 1 331.380 0.767 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)CCO1 ZINC001075780789 745326908 /nfs/dbraw/zinc/32/69/08/745326908.db2.gz WVYCKUHMHQEFFU-BHYGNILZSA-N 1 1 345.443 0.180 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)CCO1 ZINC001075780789 745326912 /nfs/dbraw/zinc/32/69/12/745326912.db2.gz WVYCKUHMHQEFFU-BHYGNILZSA-N 1 1 345.443 0.180 20 30 ECEDMO N#Cc1cnc(NCCN(CCO)C(=O)[C@@]23CC[N@@H+](C2)CCC3)cn1 ZINC001111494933 745433311 /nfs/dbraw/zinc/43/33/11/745433311.db2.gz PXXRKTTTYSVIOI-KRWDZBQOSA-N 1 1 344.419 0.067 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)nc1 ZINC000977773302 745477237 /nfs/dbraw/zinc/47/72/37/745477237.db2.gz MSNLGQGVMWPRPZ-HOTGVXAUSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001000403959 745478229 /nfs/dbraw/zinc/47/82/29/745478229.db2.gz LSPQFESRFNFAGN-AAEUAGOBSA-N 1 1 344.423 0.846 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCN2CCNC2=O)c[nH]1 ZINC001029277882 745508960 /nfs/dbraw/zinc/50/89/60/745508960.db2.gz BAQWOMXHADUJQD-GASCZTMLSA-N 1 1 342.403 0.200 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN2CCNC2=O)c[nH]1 ZINC001029277882 745508962 /nfs/dbraw/zinc/50/89/62/745508962.db2.gz BAQWOMXHADUJQD-GASCZTMLSA-N 1 1 342.403 0.200 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000982345611 752013629 /nfs/dbraw/zinc/01/36/29/752013629.db2.gz SUQMPVRGRSEPHY-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000982345611 752013635 /nfs/dbraw/zinc/01/36/35/752013635.db2.gz SUQMPVRGRSEPHY-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC2CC2)nc1 ZINC001028269797 752020894 /nfs/dbraw/zinc/02/08/94/752020894.db2.gz WDKWYIWSEPRCMW-HNNXBMFYSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC2CC2)nc1 ZINC001028269797 752020897 /nfs/dbraw/zinc/02/08/97/752020897.db2.gz WDKWYIWSEPRCMW-HNNXBMFYSA-N 1 1 326.400 0.536 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@H+]([C@H]3CCCNC3=O)CC2)c[nH]1 ZINC001000600576 745627130 /nfs/dbraw/zinc/62/71/30/745627130.db2.gz YLLYQOIGFQSKAN-HNNXBMFYSA-N 1 1 327.388 0.527 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCN(CC)C2=O)cn1 ZINC001028270684 752024767 /nfs/dbraw/zinc/02/47/67/752024767.db2.gz QQHHNIUDBNSLLN-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCN(CC)C2=O)cn1 ZINC001028270684 752024772 /nfs/dbraw/zinc/02/47/72/752024772.db2.gz QQHHNIUDBNSLLN-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=O)N2CCC2)CC1 ZINC001000696750 745706706 /nfs/dbraw/zinc/70/67/06/745706706.db2.gz TUQDWGDPOXSREC-SJORKVTESA-N 1 1 347.459 0.948 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001000696750 745706709 /nfs/dbraw/zinc/70/67/09/745706709.db2.gz TUQDWGDPOXSREC-SJORKVTESA-N 1 1 347.459 0.948 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)c1 ZINC000977975220 745734372 /nfs/dbraw/zinc/73/43/72/745734372.db2.gz JCBOGAIAQAYXTD-ZSOGYDGISA-N 1 1 325.376 0.086 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982351758 752031049 /nfs/dbraw/zinc/03/10/49/752031049.db2.gz AMXCWQURIOLEGS-CWRNSKLLSA-N 1 1 326.462 0.778 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982351758 752031053 /nfs/dbraw/zinc/03/10/53/752031053.db2.gz AMXCWQURIOLEGS-CWRNSKLLSA-N 1 1 326.462 0.778 20 30 ECEDMO Cn1nncc1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC000978080802 745894716 /nfs/dbraw/zinc/89/47/16/745894716.db2.gz LAAYAONQIKXAFF-PHZGNYQRSA-N 1 1 336.399 0.795 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000978100998 745897155 /nfs/dbraw/zinc/89/71/55/745897155.db2.gz YTEPYKVAMKPQMT-WBVHZDCISA-N 1 1 340.427 0.688 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005647 752042394 /nfs/dbraw/zinc/04/23/94/752042394.db2.gz ZEDLHSLLEOECMG-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005647 752042403 /nfs/dbraw/zinc/04/24/03/752042403.db2.gz ZEDLHSLLEOECMG-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2CCC[N@H+]2C)nc1 ZINC000978102073 745898627 /nfs/dbraw/zinc/89/86/27/745898627.db2.gz BSDSTUGWGYFBMG-RDJZCZTQSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCCC2=O)nc1 ZINC001028272750 752049126 /nfs/dbraw/zinc/04/91/26/752049126.db2.gz XOQRIBPKGYBWJS-MRXNPFEDSA-N 1 1 340.427 0.880 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+]CCn3cncn3)C2)CC1 ZINC001000993067 745957938 /nfs/dbraw/zinc/95/79/38/745957938.db2.gz PVIZDKJYELMPAQ-KRWDZBQOSA-N 1 1 344.463 0.204 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](NCc3nccn3C)C2)CC1 ZINC001000994464 745959687 /nfs/dbraw/zinc/95/96/87/745959687.db2.gz VBLJKOJSNNGLCK-KRWDZBQOSA-N 1 1 343.475 0.846 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCN1CCNC1=O ZINC001087548595 745961683 /nfs/dbraw/zinc/96/16/83/745961683.db2.gz DXPKXBOWRWHBES-LSDHHAIUSA-N 1 1 344.419 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)C1=O ZINC001027595245 746030436 /nfs/dbraw/zinc/03/04/36/746030436.db2.gz WZEWPWZYPXKRKL-CVEARBPZSA-N 1 1 345.447 0.662 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)[C@H]1CC ZINC001087591808 746102923 /nfs/dbraw/zinc/10/29/23/746102923.db2.gz QTSVCPHXSAFFBO-OWCLPIDISA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cccn2)[C@@H]1CC ZINC001087607063 746115324 /nfs/dbraw/zinc/11/53/24/746115324.db2.gz JAHMLNZBPBODHJ-KSZLIROESA-N 1 1 343.475 0.950 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001001182564 746144957 /nfs/dbraw/zinc/14/49/57/746144957.db2.gz PZZPJSBNUBLFHU-HNNXBMFYSA-N 1 1 328.420 0.397 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1CC ZINC001087649307 746151738 /nfs/dbraw/zinc/15/17/38/746151738.db2.gz FZUBYZUNRMYAKX-GOEBONIOSA-N 1 1 346.431 0.496 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1CC ZINC001087678895 746177427 /nfs/dbraw/zinc/17/74/27/746177427.db2.gz KXIKBCVDYJRFBH-UONOGXRCSA-N 1 1 329.404 0.651 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)[C@H]1CC ZINC001087702899 746209865 /nfs/dbraw/zinc/20/98/65/746209865.db2.gz ABHYOHDDPCVXLE-IJEWVQPXSA-N 1 1 329.448 0.912 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@H]1CC ZINC001087702915 746210091 /nfs/dbraw/zinc/21/00/91/746210091.db2.gz ALEINLMWVZNKFT-UONOGXRCSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001027612556 746211218 /nfs/dbraw/zinc/21/12/18/746211218.db2.gz KYKXEFOQRVBPNT-IXDOHACOSA-N 1 1 330.432 0.844 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](CC(=O)N(C)C)CC1 ZINC001001256059 746214286 /nfs/dbraw/zinc/21/42/86/746214286.db2.gz IADLCHOOXBTBHE-RDJZCZTQSA-N 1 1 335.448 0.804 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC(=O)N(C)C)CC1 ZINC001001256059 746214290 /nfs/dbraw/zinc/21/42/90/746214290.db2.gz IADLCHOOXBTBHE-RDJZCZTQSA-N 1 1 335.448 0.804 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC(F)(F)F)n3)[C@@H]2C1 ZINC000978339505 746221467 /nfs/dbraw/zinc/22/14/67/746221467.db2.gz ZRAGNNPUDROVEM-CNDDSTCGSA-N 1 1 326.322 0.986 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@H]3CCCN3C)CC2)C1=O ZINC001001263250 746223147 /nfs/dbraw/zinc/22/31/47/746223147.db2.gz IVWGKJNZCWBSSD-SJORKVTESA-N 1 1 348.491 0.696 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H]1CC ZINC001087723732 746246195 /nfs/dbraw/zinc/24/61/95/746246195.db2.gz ARVNLFKLNAXVPI-JJXSEGSLSA-N 1 1 335.448 0.615 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3-n3cnnn3)[C@@H]2C1 ZINC000978395888 746277323 /nfs/dbraw/zinc/27/73/23/746277323.db2.gz GKKCHTOATJTTSN-XYYAHUGASA-N 1 1 342.428 0.655 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1CC ZINC001087758831 746288592 /nfs/dbraw/zinc/28/85/92/746288592.db2.gz NXMSFEPKRRUTBN-XPFWZQFZSA-N 1 1 334.420 0.520 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H]1CC ZINC001087776256 746315014 /nfs/dbraw/zinc/31/50/14/746315014.db2.gz SOXOTWGWPZUIOF-JKSUJKDBSA-N 1 1 330.432 0.853 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3OCC(N)=O)[C@@H]2C1 ZINC000978424496 746324788 /nfs/dbraw/zinc/32/47/88/746324788.db2.gz LOMVXGUGBPCTBU-QKDCVEJESA-N 1 1 329.400 0.644 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1 ZINC000978425235 746325837 /nfs/dbraw/zinc/32/58/37/746325837.db2.gz DOBYWQOIIPCRDJ-OSYLJGHBSA-N 1 1 341.411 0.482 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1CC ZINC001087786996 746333473 /nfs/dbraw/zinc/33/34/73/746333473.db2.gz CAYHLQGZKBUQNV-LSDHHAIUSA-N 1 1 347.463 0.926 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H]1CC ZINC001087812760 746379274 /nfs/dbraw/zinc/37/92/74/746379274.db2.gz FYZFHXCPLPCZAH-SWLSCSKDSA-N 1 1 325.372 0.946 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)cc1 ZINC000978562387 746443932 /nfs/dbraw/zinc/44/39/32/746443932.db2.gz JDYFJVYFZHOTBR-ZJPYXAASSA-N 1 1 337.423 0.806 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCNC4=O)[C@@H]3C2)cc1 ZINC000978598041 746469701 /nfs/dbraw/zinc/46/97/01/746469701.db2.gz FDOLECLCQAORIN-VQHPVUNQSA-N 1 1 338.411 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC000978623126 746518324 /nfs/dbraw/zinc/51/83/24/746518324.db2.gz AEAQNNILDIPCIH-LZWOXQAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC000978623126 746518327 /nfs/dbraw/zinc/51/83/27/746518327.db2.gz AEAQNNILDIPCIH-LZWOXQAQSA-N 1 1 343.431 0.440 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)n1 ZINC000978641840 746534446 /nfs/dbraw/zinc/53/44/46/746534446.db2.gz VEAUEQSZROXNEQ-QKDCVEJESA-N 1 1 337.387 0.190 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC000978648021 746540819 /nfs/dbraw/zinc/54/08/19/746540819.db2.gz DCOFRRUGGBOGHP-ZQDZILKHSA-N 1 1 327.432 0.237 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000978665996 746555835 /nfs/dbraw/zinc/55/58/35/746555835.db2.gz FREIVHXVQAXHQX-LEOABGAYSA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4conc4C)[C@@H]3C2)C1=O ZINC000978653121 746561680 /nfs/dbraw/zinc/56/16/80/746561680.db2.gz MDPTVWMWTPNTAF-AYDFFVQHSA-N 1 1 344.415 0.678 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1C(F)(F)F ZINC001112170432 746577445 /nfs/dbraw/zinc/57/74/45/746577445.db2.gz VDEOVMQQHMQTQY-GMTAPVOTSA-N 1 1 344.337 0.405 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000978699326 746594615 /nfs/dbraw/zinc/59/46/15/746594615.db2.gz VDLUFUNDAGMRFZ-NFAWXSAZSA-N 1 1 343.431 0.853 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)cn1 ZINC001027656567 746598971 /nfs/dbraw/zinc/59/89/71/746598971.db2.gz TULQCDVQQVZWGX-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)cn1 ZINC001027656541 746599264 /nfs/dbraw/zinc/59/92/64/746599264.db2.gz SLCZKXNKHKPYEG-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059397728 746635173 /nfs/dbraw/zinc/63/51/73/746635173.db2.gz XMPMOZLZXHIANJ-JKSUJKDBSA-N 1 1 335.448 0.331 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059397728 746635175 /nfs/dbraw/zinc/63/51/75/746635175.db2.gz XMPMOZLZXHIANJ-JKSUJKDBSA-N 1 1 335.448 0.331 20 30 ECEDMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087914735 746656181 /nfs/dbraw/zinc/65/61/81/746656181.db2.gz BMXFGHNSNGKIOM-SJORKVTESA-N 1 1 325.412 0.694 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)CC[C@@H]3C2)c1 ZINC001087925369 746670638 /nfs/dbraw/zinc/67/06/38/746670638.db2.gz JIEOANQALPDTFS-IJEWVQPXSA-N 1 1 341.415 0.559 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940823 746695204 /nfs/dbraw/zinc/69/52/04/746695204.db2.gz XVXAKBRRURSCNF-OCCSQVGLSA-N 1 1 339.403 0.609 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940823 746695206 /nfs/dbraw/zinc/69/52/06/746695206.db2.gz XVXAKBRRURSCNF-OCCSQVGLSA-N 1 1 339.403 0.609 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027674730 746726483 /nfs/dbraw/zinc/72/64/83/746726483.db2.gz IHPLKWZQRBWIMP-LLVKDONJSA-N 1 1 337.811 0.864 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027674730 746726488 /nfs/dbraw/zinc/72/64/88/746726488.db2.gz IHPLKWZQRBWIMP-LLVKDONJSA-N 1 1 337.811 0.864 20 30 ECEDMO CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087962599 746750293 /nfs/dbraw/zinc/75/02/93/746750293.db2.gz YPZNXBHAIBOCNH-CVEARBPZSA-N 1 1 327.432 0.992 20 30 ECEDMO CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087962599 746750295 /nfs/dbraw/zinc/75/02/95/746750295.db2.gz YPZNXBHAIBOCNH-CVEARBPZSA-N 1 1 327.432 0.992 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)nn1 ZINC000978823329 746751460 /nfs/dbraw/zinc/75/14/60/746751460.db2.gz YZVTUSPZAWUAOI-QKDCVEJESA-N 1 1 341.419 0.268 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc(N(C)C)cn3)C[C@@H]2C1 ZINC001087966750 746758958 /nfs/dbraw/zinc/75/89/58/746758958.db2.gz SVOMTYTUJGWIDF-CABCVRRESA-N 1 1 327.432 0.960 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3csc(-c4nc[nH]n4)n3)[C@@H]2C1 ZINC000978849663 746796333 /nfs/dbraw/zinc/79/63/33/746796333.db2.gz PNZWLGNSINKNGR-CNDDSTCGSA-N 1 1 342.428 0.859 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1 ZINC000978850769 746797638 /nfs/dbraw/zinc/79/76/38/746797638.db2.gz CTWCTNSYYYFVDW-ZSOGYDGISA-N 1 1 339.399 0.262 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000978941121 746921251 /nfs/dbraw/zinc/92/12/51/746921251.db2.gz BIVWOHGNAULGPZ-QKDCVEJESA-N 1 1 331.416 0.936 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000984790493 746939275 /nfs/dbraw/zinc/93/92/75/746939275.db2.gz VCXOBVUZIADMSK-VBNZEHGJSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cncnc2)C1 ZINC000978951549 746943699 /nfs/dbraw/zinc/94/36/99/746943699.db2.gz AMISTTZCMDWQHQ-IMJJTQAJSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cncnc2)C1 ZINC000978951549 746943704 /nfs/dbraw/zinc/94/37/04/746943704.db2.gz AMISTTZCMDWQHQ-IMJJTQAJSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000978951787 746944509 /nfs/dbraw/zinc/94/45/09/746944509.db2.gz BWGQQQYZLIXSPJ-RCJHGTSTSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000978951787 746944513 /nfs/dbraw/zinc/94/45/13/746944513.db2.gz BWGQQQYZLIXSPJ-RCJHGTSTSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC000978953785 746948125 /nfs/dbraw/zinc/94/81/25/746948125.db2.gz RBBLXJNNFDPJPI-XUWVNRHRSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC000978953785 746948127 /nfs/dbraw/zinc/94/81/27/746948127.db2.gz RBBLXJNNFDPJPI-XUWVNRHRSA-N 1 1 333.432 0.274 20 30 ECEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1 ZINC001087994157 746948152 /nfs/dbraw/zinc/94/81/52/746948152.db2.gz UDHHQGIEQYJWCK-PMPSAXMXSA-N 1 1 330.436 0.117 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(c3)C(=O)NC4=O)[C@@H]2C1 ZINC000978981626 746991847 /nfs/dbraw/zinc/99/18/47/746991847.db2.gz DVPISFKVZWAEGJ-PHZGNYQRSA-N 1 1 337.379 0.501 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@@H]2C1 ZINC001088000015 746994289 /nfs/dbraw/zinc/99/42/89/746994289.db2.gz LNACLKQTQZLVPP-IKGGRYGDSA-N 1 1 339.443 0.859 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3cnc[nH]3)C2)C1=O ZINC000984858252 747030459 /nfs/dbraw/zinc/03/04/59/747030459.db2.gz HFVIGHANKXFDKJ-UMVBOHGHSA-N 1 1 331.420 0.224 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3nc4ncc(C)cn4n3)C[C@@H]2C1 ZINC001088006478 747035016 /nfs/dbraw/zinc/03/50/16/747035016.db2.gz JANNFUJGSUBQRB-CABCVRRESA-N 1 1 338.415 0.850 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ncc(C(=O)OC)s2)C1 ZINC000924034992 752144686 /nfs/dbraw/zinc/14/46/86/752144686.db2.gz HCVXTKQNSNZESS-LLVKDONJSA-N 1 1 336.417 0.827 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ncc(C(=O)OC)s2)C1 ZINC000924034992 752144696 /nfs/dbraw/zinc/14/46/96/752144696.db2.gz HCVXTKQNSNZESS-LLVKDONJSA-N 1 1 336.417 0.827 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]2C1 ZINC001088012686 747047007 /nfs/dbraw/zinc/04/70/07/747047007.db2.gz XLTYGCYJXVWYJB-HIFRSBDPSA-N 1 1 338.473 0.778 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@H]32)cn1 ZINC000979018428 747066140 /nfs/dbraw/zinc/06/61/40/747066140.db2.gz NCBCWDXMQFHZKO-OSYLJGHBSA-N 1 1 336.399 0.299 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@H]32)cn1 ZINC000979018428 747066146 /nfs/dbraw/zinc/06/61/46/747066146.db2.gz NCBCWDXMQFHZKO-OSYLJGHBSA-N 1 1 336.399 0.299 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)n1 ZINC001059457642 747083438 /nfs/dbraw/zinc/08/34/38/747083438.db2.gz MNOCDBYRDXNKCW-KBUPBQIOSA-N 1 1 340.431 0.846 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(=O)C(C)C)[C@@H]2C1 ZINC000979062893 747110435 /nfs/dbraw/zinc/11/04/35/747110435.db2.gz YZZBBIHPOHJVIG-WCXIOVBPSA-N 1 1 331.460 0.951 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002246805 747122770 /nfs/dbraw/zinc/12/27/70/747122770.db2.gz UIOWTWBTEXJAAT-DZUCGIPZSA-N 1 1 349.475 0.882 20 30 ECEDMO CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)CSCC#N ZINC001211888735 747127351 /nfs/dbraw/zinc/12/73/51/747127351.db2.gz MUCGRXLXOFCYPU-ZIAGYGMSSA-N 1 1 327.450 0.485 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)[C@@H]2C1 ZINC000979079200 747131278 /nfs/dbraw/zinc/13/12/78/747131278.db2.gz CGDJWHFMNXUUAP-QSPRXWTASA-N 1 1 329.444 0.705 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@@H]2C1 ZINC001088049156 747144235 /nfs/dbraw/zinc/14/42/35/747144235.db2.gz UAPARLIJUMXFMH-IPYPFGDCSA-N 1 1 329.404 0.332 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(OC)ncnc3OC)[C@@H]2C1 ZINC000979143771 747244897 /nfs/dbraw/zinc/24/48/97/747244897.db2.gz KMFAIIXIQPBPDK-XYYAHUGASA-N 1 1 332.404 0.978 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4cnn(C)c4C3)C[C@@H]2C1 ZINC001088081357 747280372 /nfs/dbraw/zinc/28/03/72/747280372.db2.gz NBCCGBHDPTXHJM-OIISXLGYSA-N 1 1 326.444 0.939 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)c1ccc(C#N)[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001002395848 747291511 /nfs/dbraw/zinc/29/15/11/747291511.db2.gz LICWRYQEPDTQLB-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001075836672 747303725 /nfs/dbraw/zinc/30/37/25/747303725.db2.gz ZLORTYCLJNMKTN-DLBZAZTESA-N 1 1 336.399 0.883 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001075836672 747303732 /nfs/dbraw/zinc/30/37/32/747303732.db2.gz ZLORTYCLJNMKTN-DLBZAZTESA-N 1 1 336.399 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001027742818 747327320 /nfs/dbraw/zinc/32/73/20/747327320.db2.gz WVSOAHQRDXGFRD-CVEARBPZSA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001027742818 747327326 /nfs/dbraw/zinc/32/73/26/747327326.db2.gz WVSOAHQRDXGFRD-CVEARBPZSA-N 1 1 344.415 0.301 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)c(C(N)=O)cn3)C[C@@H]2C1 ZINC001088113981 747417570 /nfs/dbraw/zinc/41/75/70/747417570.db2.gz NTXLLXIZWGXAAM-KGLIPLIRSA-N 1 1 326.400 0.516 20 30 ECEDMO C[C@H]([NH2+]Cc1ncnn1C)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979291586 747524787 /nfs/dbraw/zinc/52/47/87/747524787.db2.gz KKTHWEKZCUVKJR-FZMZJTMJSA-N 1 1 343.391 0.034 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001059505361 747578274 /nfs/dbraw/zinc/57/82/74/747578274.db2.gz MYTPYQYBCOGTFO-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 ZINC001088169169 747583993 /nfs/dbraw/zinc/58/39/93/747583993.db2.gz KXFJWIFTVSDDHE-KGLIPLIRSA-N 1 1 334.420 0.237 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC001002637401 747600176 /nfs/dbraw/zinc/60/01/76/747600176.db2.gz ICCRSANHMFJKBI-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC001002637401 747600177 /nfs/dbraw/zinc/60/01/77/747600177.db2.gz ICCRSANHMFJKBI-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]3C2)cn1 ZINC001088175510 747677882 /nfs/dbraw/zinc/67/78/82/747677882.db2.gz ZVMMEKPHPOPWQX-YUELXQCFSA-N 1 1 326.400 0.331 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC)CC[C@@H]3C2)nc1 ZINC001088174156 747683156 /nfs/dbraw/zinc/68/31/56/747683156.db2.gz JWNCOLIITLSVDS-CABCVRRESA-N 1 1 326.400 0.203 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@@H]2C1 ZINC001088185452 747696084 /nfs/dbraw/zinc/69/60/84/747696084.db2.gz AJNNXAIJUMMQJR-OLZOCXBDSA-N 1 1 337.383 0.758 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccccc2)CC1)[C@H]1COC(=O)N1 ZINC001002723381 747700790 /nfs/dbraw/zinc/70/07/90/747700790.db2.gz SMFNGFOMOSZRRS-MRXNPFEDSA-N 1 1 327.384 0.727 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)s1 ZINC001002723823 747701173 /nfs/dbraw/zinc/70/11/73/747701173.db2.gz UODWVANEBWDKDQ-ZDUSSCGKSA-N 1 1 334.401 0.809 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@@H]2C1 ZINC001088187123 747704503 /nfs/dbraw/zinc/70/45/03/747704503.db2.gz IEXCMDDOBWYGSB-IKGGRYGDSA-N 1 1 333.432 0.037 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC001088187290 747704561 /nfs/dbraw/zinc/70/45/61/747704561.db2.gz OWTQNLDWVPZASE-CABCVRRESA-N 1 1 333.436 0.247 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001088195306 747716799 /nfs/dbraw/zinc/71/67/99/747716799.db2.gz XOXJBMQMORDXEZ-CABCVRRESA-N 1 1 333.432 0.882 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000985333166 747736431 /nfs/dbraw/zinc/73/64/31/747736431.db2.gz ZFFUMLGAQNJYNN-UONOGXRCSA-N 1 1 336.436 0.316 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3ccnn3C)C2)C1=O ZINC001007227334 752206920 /nfs/dbraw/zinc/20/69/20/752206920.db2.gz OVWFUGVDUCRKNQ-GOEBONIOSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3ccnn3C)C2)C1=O ZINC001007227334 752206922 /nfs/dbraw/zinc/20/69/22/752206922.db2.gz OVWFUGVDUCRKNQ-GOEBONIOSA-N 1 1 345.447 0.330 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3cnn(C)c3)CC2)C1 ZINC001088229586 747780118 /nfs/dbraw/zinc/78/01/18/747780118.db2.gz VBZQVNMVCPAUIV-GOSISDBHSA-N 1 1 344.459 0.925 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(CO[C@@H]2CCN(CC#N)C2)CC1 ZINC001088230369 747782299 /nfs/dbraw/zinc/78/22/99/747782299.db2.gz OMVDVEZEDFYLSV-SJORKVTESA-N 1 1 334.464 0.934 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)c1cncc(C#N)n1 ZINC001112181543 747788765 /nfs/dbraw/zinc/78/87/65/747788765.db2.gz RCGALEZYPMIADM-DZGCQCFKSA-N 1 1 330.436 0.831 20 30 ECEDMO NC(=O)C[N@@H+]1CC[C@H](OCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001088233793 747794817 /nfs/dbraw/zinc/79/48/17/747794817.db2.gz ZRGDEAVSAAZGHH-INIZCTEOSA-N 1 1 333.432 0.215 20 30 ECEDMO NC(=O)C[N@H+]1CC[C@H](OCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001088233793 747794822 /nfs/dbraw/zinc/79/48/22/747794822.db2.gz ZRGDEAVSAAZGHH-INIZCTEOSA-N 1 1 333.432 0.215 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001027796760 747819145 /nfs/dbraw/zinc/81/91/45/747819145.db2.gz KNIUSGNVRWSMOH-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001027796760 747819153 /nfs/dbraw/zinc/81/91/53/747819153.db2.gz KNIUSGNVRWSMOH-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000988498061 752216839 /nfs/dbraw/zinc/21/68/39/752216839.db2.gz CXKPDNPRBCOHAC-AAEUAGOBSA-N 1 1 342.407 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2n[nH]c(C)c2C)C1 ZINC001002830087 747846954 /nfs/dbraw/zinc/84/69/54/747846954.db2.gz QHGBRDRFOJOEFA-HNNXBMFYSA-N 1 1 343.431 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2n[nH]c(C)c2C)C1 ZINC001002830087 747846959 /nfs/dbraw/zinc/84/69/59/747846959.db2.gz QHGBRDRFOJOEFA-HNNXBMFYSA-N 1 1 343.431 0.312 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2scnc2C)C1 ZINC001002830511 747848245 /nfs/dbraw/zinc/84/82/45/747848245.db2.gz VECZORJTEDCWTA-AWEZNQCLSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2scnc2C)C1 ZINC001002830511 747848257 /nfs/dbraw/zinc/84/82/57/747848257.db2.gz VECZORJTEDCWTA-AWEZNQCLSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]nc2C)C1 ZINC001002834673 747855530 /nfs/dbraw/zinc/85/55/30/747855530.db2.gz HQOVWKMFVISPOR-HNNXBMFYSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]nc2C)C1 ZINC001002834673 747855537 /nfs/dbraw/zinc/85/55/37/747855537.db2.gz HQOVWKMFVISPOR-HNNXBMFYSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2(F)CCCC2)C1 ZINC001002835080 747856642 /nfs/dbraw/zinc/85/66/42/747856642.db2.gz JBEZRTQHDNEEQB-HNNXBMFYSA-N 1 1 335.423 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2(F)CCCC2)C1 ZINC001002835080 747856650 /nfs/dbraw/zinc/85/66/50/747856650.db2.gz JBEZRTQHDNEEQB-HNNXBMFYSA-N 1 1 335.423 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)co2)C1 ZINC001002836232 747859063 /nfs/dbraw/zinc/85/90/63/747859063.db2.gz SKWSUKDYZWEZQN-HNNXBMFYSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)co2)C1 ZINC001002836232 747859073 /nfs/dbraw/zinc/85/90/73/747859073.db2.gz SKWSUKDYZWEZQN-HNNXBMFYSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000982440337 752218550 /nfs/dbraw/zinc/21/85/50/752218550.db2.gz YGILOMWKDHGEHV-HOCLYGCPSA-N 1 1 328.416 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000982440337 752218557 /nfs/dbraw/zinc/21/85/57/752218557.db2.gz YGILOMWKDHGEHV-HOCLYGCPSA-N 1 1 328.416 0.691 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001088239050 747877797 /nfs/dbraw/zinc/87/77/97/747877797.db2.gz KVNDASSWBWZLME-MRXNPFEDSA-N 1 1 345.447 0.782 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001029662465 747994479 /nfs/dbraw/zinc/99/44/79/747994479.db2.gz MQDOQUAVGSUFRB-GOEBONIOSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001029662465 747994482 /nfs/dbraw/zinc/99/44/82/747994482.db2.gz MQDOQUAVGSUFRB-GOEBONIOSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001029662465 747994485 /nfs/dbraw/zinc/99/44/85/747994485.db2.gz MQDOQUAVGSUFRB-GOEBONIOSA-N 1 1 345.447 0.899 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029682332 748047285 /nfs/dbraw/zinc/04/72/85/748047285.db2.gz USXLLPDAUVFCEN-CQSZACIVSA-N 1 1 344.415 0.723 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000985460101 748101146 /nfs/dbraw/zinc/10/11/46/748101146.db2.gz UHROSUNQVHGWDX-UHFFFAOYSA-N 1 1 349.884 0.697 20 30 ECEDMO C[N@@H+](C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@H]1CCC(=O)NC1=O ZINC001029712159 748137815 /nfs/dbraw/zinc/13/78/15/748137815.db2.gz LKCLKCLCUCZIIU-RISCZKNCSA-N 1 1 343.387 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2nc(C)no2)CC1 ZINC000985473000 748206865 /nfs/dbraw/zinc/20/68/65/748206865.db2.gz DIAUZBWRIATYAP-INIZCTEOSA-N 1 1 345.447 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2nc(C)no2)CC1 ZINC000985473000 748206866 /nfs/dbraw/zinc/20/68/66/748206866.db2.gz DIAUZBWRIATYAP-INIZCTEOSA-N 1 1 345.447 0.898 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nnn(C(C)(C)C)n3)C[C@H]2C1 ZINC000979736826 748314901 /nfs/dbraw/zinc/31/49/01/748314901.db2.gz XULBGZBCVCRTKW-KKUMJFAQSA-N 1 1 344.463 0.821 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2ccc(=O)n(CCOC)c2)CC1 ZINC000985514515 748369930 /nfs/dbraw/zinc/36/99/30/748369930.db2.gz KGZPPNNZMXPPHF-UHFFFAOYSA-N 1 1 331.416 0.664 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001029800061 748468432 /nfs/dbraw/zinc/46/84/32/748468432.db2.gz JDJPGXUKBREVLV-IRXDYDNUSA-N 1 1 340.427 0.975 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000985551918 748470649 /nfs/dbraw/zinc/47/06/49/748470649.db2.gz BBKNOFTVWIIQQZ-AWEZNQCLSA-N 1 1 329.391 0.508 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@]3(C)CN(CC#N)C[C@@]3(C)C2)C1 ZINC000982474350 752279065 /nfs/dbraw/zinc/27/90/65/752279065.db2.gz AVYJPXQQVRNHLN-NXHRZFHOSA-N 1 1 334.464 0.790 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@]3(C)CN(CC#N)C[C@@]3(C)C2)C1 ZINC000982474350 752279070 /nfs/dbraw/zinc/27/90/70/752279070.db2.gz AVYJPXQQVRNHLN-NXHRZFHOSA-N 1 1 334.464 0.790 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000985563069 748533359 /nfs/dbraw/zinc/53/33/59/748533359.db2.gz UDLMRINEUCVLFJ-UHFFFAOYSA-N 1 1 343.431 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc1 ZINC001003468407 748586001 /nfs/dbraw/zinc/58/60/01/748586001.db2.gz QVWBIHFTYMREMR-CQSZACIVSA-N 1 1 340.427 0.593 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[N@H+](C)C3CCC3)C2)nc1 ZINC001003471485 748589186 /nfs/dbraw/zinc/58/91/86/748589186.db2.gz JUAKFCGZJQBMHW-UHFFFAOYSA-N 1 1 340.427 0.735 20 30 ECEDMO COc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)C(N)=O)C2)cc1C#N ZINC001029820998 748595047 /nfs/dbraw/zinc/59/50/47/748595047.db2.gz ILCAHBLCUDDAIR-CYBMUJFWSA-N 1 1 330.388 0.332 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001003532562 748651356 /nfs/dbraw/zinc/65/13/56/748651356.db2.gz BWYYZCSFRDXDCX-HNNXBMFYSA-N 1 1 327.388 0.320 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCCNC3=O)C2)c1 ZINC001029835022 748668545 /nfs/dbraw/zinc/66/85/45/748668545.db2.gz KUUREZATUIMQLM-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3n[nH]cc3F)CC2)C1=O ZINC000985628100 748759631 /nfs/dbraw/zinc/75/96/31/748759631.db2.gz GWSNHJNXNKDAON-AWEZNQCLSA-N 1 1 349.410 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC(C)(C)O ZINC001003675712 748784396 /nfs/dbraw/zinc/78/43/96/748784396.db2.gz YRQRFHYMODZZBE-WCVJEAGWSA-N 1 1 347.459 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC(C)(C)O ZINC001003675712 748784400 /nfs/dbraw/zinc/78/44/00/748784400.db2.gz YRQRFHYMODZZBE-WCVJEAGWSA-N 1 1 347.459 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001059608994 748788629 /nfs/dbraw/zinc/78/86/29/748788629.db2.gz NOVIZFPADLSXJO-CABCVRRESA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001059608994 748788636 /nfs/dbraw/zinc/78/86/36/748788636.db2.gz NOVIZFPADLSXJO-CABCVRRESA-N 1 1 343.431 0.476 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000980020049 748834260 /nfs/dbraw/zinc/83/42/60/748834260.db2.gz DSGABDUUKJAZLT-NOLJZWGESA-N 1 1 343.431 0.995 20 30 ECEDMO N#CCN[C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001088350513 748871273 /nfs/dbraw/zinc/87/12/73/748871273.db2.gz ZFKLZYFAMZNZPV-LPMVOBIJSA-N 1 1 332.448 0.734 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@@H+](C)CCn3cccn3)CC2)nn1 ZINC000985696092 748883429 /nfs/dbraw/zinc/88/34/29/748883429.db2.gz RBVDONSNTLTXHZ-UHFFFAOYSA-N 1 1 343.435 0.897 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000985698098 748885410 /nfs/dbraw/zinc/88/54/10/748885410.db2.gz YHEKFZBCJKGKGE-ZDUSSCGKSA-N 1 1 349.884 0.696 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@@H+](C)CC(=O)N3CCC3)CC2)nn1 ZINC000985696848 748888641 /nfs/dbraw/zinc/88/86/41/748888641.db2.gz XTNGJTZTNQDQQU-UHFFFAOYSA-N 1 1 346.435 0.233 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000980080122 748948108 /nfs/dbraw/zinc/94/81/08/748948108.db2.gz AVRSLRMYLIGAKM-FRFSOERESA-N 1 1 340.427 0.639 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]2C1 ZINC000980090271 748960426 /nfs/dbraw/zinc/96/04/26/748960426.db2.gz ZLUWEPCJXQVJFI-KKUMJFAQSA-N 1 1 333.436 0.375 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nc(C)no3)C2)nn1 ZINC001029860299 748965022 /nfs/dbraw/zinc/96/50/22/748965022.db2.gz PASDYARKTBDUFE-CYBMUJFWSA-N 1 1 345.407 0.750 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nc(C)no3)C2)nn1 ZINC001029860299 748965030 /nfs/dbraw/zinc/96/50/30/748965030.db2.gz PASDYARKTBDUFE-CYBMUJFWSA-N 1 1 345.407 0.750 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027879303 748977523 /nfs/dbraw/zinc/97/75/23/748977523.db2.gz PWVCHIJFJVONOY-ZIAGYGMSSA-N 1 1 331.420 0.919 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C)nn2)C1=O ZINC001027880779 748998434 /nfs/dbraw/zinc/99/84/34/748998434.db2.gz TZWQHICCUSGXLP-ZBFHGGJFSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccc(C)nn2)C1=O ZINC001027880779 748998437 /nfs/dbraw/zinc/99/84/37/748998437.db2.gz TZWQHICCUSGXLP-ZBFHGGJFSA-N 1 1 343.431 0.766 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn(CCOC)n3)C[C@@H]2C1 ZINC000980151736 749074507 /nfs/dbraw/zinc/07/45/07/749074507.db2.gz YNMYGYMCKKJYMT-ARFHVFGLSA-N 1 1 330.432 0.993 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)C[C@H]2C1 ZINC000980153327 749077764 /nfs/dbraw/zinc/07/77/64/749077764.db2.gz WABUPUAWWBWQQM-MELADBBJSA-N 1 1 328.416 0.967 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC000980162504 749093511 /nfs/dbraw/zinc/09/35/11/749093511.db2.gz PRZRKRZJYUUTBO-ULQDDVLXSA-N 1 1 348.491 0.601 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC000980167393 749101728 /nfs/dbraw/zinc/10/17/28/749101728.db2.gz SHDVGEUWEUKPIU-KKUMJFAQSA-N 1 1 346.431 0.742 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980169543 749105700 /nfs/dbraw/zinc/10/57/00/749105700.db2.gz WZAAIEOVQPDLDX-HRCADAONSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980169544 749105709 /nfs/dbraw/zinc/10/57/09/749105709.db2.gz WZAAIEOVQPDLDX-JYJNAYRXSA-N 1 1 326.400 0.760 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001059649236 749117773 /nfs/dbraw/zinc/11/77/73/749117773.db2.gz SLEVUWHFFMZXEX-RWMBFGLXSA-N 1 1 328.420 0.921 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 ZINC000980184741 749133780 /nfs/dbraw/zinc/13/37/80/749133780.db2.gz QOVNSQXPMDFXKP-CFVMTHIKSA-N 1 1 331.416 0.279 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nc4ncccn4n3)C[C@H]2C1 ZINC000980187347 749139488 /nfs/dbraw/zinc/13/94/88/749139488.db2.gz IEBYVCANKBKMOJ-SOUVJXGZSA-N 1 1 338.415 0.978 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@@H]3C2)s1 ZINC000980189134 749143848 /nfs/dbraw/zinc/14/38/48/749143848.db2.gz ZLNUCGVCLSESII-TUAOUCFPSA-N 1 1 332.429 0.822 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)CC3CC3)CC2)CC1 ZINC000985824476 749177329 /nfs/dbraw/zinc/17/73/29/749177329.db2.gz FUXQUUUJGSUKKI-UHFFFAOYSA-N 1 1 332.448 0.692 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980205638 749181394 /nfs/dbraw/zinc/18/13/94/749181394.db2.gz CBQRDQFANZHLLW-HRCADAONSA-N 1 1 343.427 0.916 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC000980207554 749185365 /nfs/dbraw/zinc/18/53/65/749185365.db2.gz KARBJMNZQUPSTI-SOUVJXGZSA-N 1 1 346.431 0.120 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 ZINC000980230126 749225635 /nfs/dbraw/zinc/22/56/35/749225635.db2.gz KKCYJKLOYWIYMJ-HRCADAONSA-N 1 1 345.447 0.130 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(OC)ncnc3OC)C[C@H]2C1 ZINC000980243583 749249249 /nfs/dbraw/zinc/24/92/49/749249249.db2.gz BNOOORYHZAXSSH-MELADBBJSA-N 1 1 344.415 0.957 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001004146444 749258424 /nfs/dbraw/zinc/25/84/24/749258424.db2.gz SSLMVOYHVIUZAF-MRXNPFEDSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC000980263008 749270170 /nfs/dbraw/zinc/27/01/70/749270170.db2.gz IXSQOPOUQBHJBW-UKRRQHHQSA-N 1 1 329.466 0.567 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC000980265937 749274894 /nfs/dbraw/zinc/27/48/94/749274894.db2.gz WVQXKJVGOCUGKY-OCCSQVGLSA-N 1 1 349.884 0.744 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC000980265937 749274898 /nfs/dbraw/zinc/27/48/98/749274898.db2.gz WVQXKJVGOCUGKY-OCCSQVGLSA-N 1 1 349.884 0.744 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COC3CCOCC3)C2)nn1 ZINC001098739066 749312178 /nfs/dbraw/zinc/31/21/78/749312178.db2.gz CGQIFZZTFYEWMC-OAHLLOKOSA-N 1 1 349.435 0.523 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@H+]2Cc2nc(=O)n(C)[nH]2)CC1 ZINC001004398702 749465676 /nfs/dbraw/zinc/46/56/76/749465676.db2.gz VOVFSFAFWIIDGO-OCCSQVGLSA-N 1 1 346.435 0.471 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001004460650 749528405 /nfs/dbraw/zinc/52/84/05/749528405.db2.gz UEUWULDBFMLMJI-FZMZJTMJSA-N 1 1 329.404 0.272 20 30 ECEDMO C[C@@H]1[C@@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000986137871 749602940 /nfs/dbraw/zinc/60/29/40/749602940.db2.gz XGKBBZKWOLSNPJ-YPMHNXCESA-N 1 1 345.382 0.840 20 30 ECEDMO C[C@H]1[C@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000986137865 749603070 /nfs/dbraw/zinc/60/30/70/749603070.db2.gz XGKBBZKWOLSNPJ-WCQYABFASA-N 1 1 345.382 0.840 20 30 ECEDMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000986137832 749603457 /nfs/dbraw/zinc/60/34/57/749603457.db2.gz XGKBBZKWOLSNPJ-AAEUAGOBSA-N 1 1 345.382 0.840 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000986138829 749604108 /nfs/dbraw/zinc/60/41/08/749604108.db2.gz ZMGUMRBAAWLLGW-DGCLKSJQSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001004590943 749661887 /nfs/dbraw/zinc/66/18/87/749661887.db2.gz IIEQREMVUKYONG-QGZVFWFLSA-N 1 1 342.443 0.970 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001004610150 749683090 /nfs/dbraw/zinc/68/30/90/749683090.db2.gz NWSUJTVCFUFDMR-HUUCEWRRSA-N 1 1 348.447 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC001004612117 749686206 /nfs/dbraw/zinc/68/62/06/749686206.db2.gz ZJURXIKYKCJJPM-MRXNPFEDSA-N 1 1 328.416 0.730 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004623006 749701022 /nfs/dbraw/zinc/70/10/22/749701022.db2.gz OVGHQDAWWIWFAW-HUUCEWRRSA-N 1 1 341.477 0.567 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004634917 749714304 /nfs/dbraw/zinc/71/43/04/749714304.db2.gz OUEOEYCAURVQEL-HZPDHXFCSA-N 1 1 345.443 0.766 20 30 ECEDMO COCc1noc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000980573897 749800850 /nfs/dbraw/zinc/80/08/50/749800850.db2.gz FJZFCYBBEHSBSZ-GXTWGEPZSA-N 1 1 332.404 0.956 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001027953341 749831394 /nfs/dbraw/zinc/83/13/94/749831394.db2.gz LUNQMBMWJVXYPN-CHWSQXEVSA-N 1 1 347.419 0.405 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111603023 750071536 /nfs/dbraw/zinc/07/15/36/750071536.db2.gz ZMYCWVBCHKGBIW-KEYYUXOJSA-N 1 1 348.472 0.352 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111603023 750071545 /nfs/dbraw/zinc/07/15/45/750071545.db2.gz ZMYCWVBCHKGBIW-KEYYUXOJSA-N 1 1 348.472 0.352 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC001029958017 750079761 /nfs/dbraw/zinc/07/97/61/750079761.db2.gz AKUGSHJXJURPKB-INIZCTEOSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088505680 750191591 /nfs/dbraw/zinc/19/15/91/750191591.db2.gz QLACNZIQSHGVIV-NZSAHSFTSA-N 1 1 341.455 0.948 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088505680 750191595 /nfs/dbraw/zinc/19/15/95/750191595.db2.gz QLACNZIQSHGVIV-NZSAHSFTSA-N 1 1 341.455 0.948 20 30 ECEDMO CN(C(=O)Cn1cnnn1)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001005086891 750214357 /nfs/dbraw/zinc/21/43/57/750214357.db2.gz CUUBNRXZRONGDP-UHFFFAOYSA-N 1 1 339.403 0.668 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccc(=O)[nH]3)[C@H]2C)C1=O ZINC001088508666 750217264 /nfs/dbraw/zinc/21/72/64/750217264.db2.gz LMSKBXPXVONCTD-VNHYZAJKSA-N 1 1 344.415 0.767 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cccc(=O)[nH]3)[C@H]2C)C1=O ZINC001088508666 750217271 /nfs/dbraw/zinc/21/72/71/750217271.db2.gz LMSKBXPXVONCTD-VNHYZAJKSA-N 1 1 344.415 0.767 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)c1 ZINC000980838170 750255927 /nfs/dbraw/zinc/25/59/27/750255927.db2.gz IMZUJNOYQCUEOK-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)c1 ZINC000980838170 750255929 /nfs/dbraw/zinc/25/59/29/750255929.db2.gz IMZUJNOYQCUEOK-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)c1 ZINC001028071294 750482717 /nfs/dbraw/zinc/48/27/17/750482717.db2.gz AXBXFXJBFRQNSO-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)c1 ZINC001028071294 750482723 /nfs/dbraw/zinc/48/27/23/750482723.db2.gz AXBXFXJBFRQNSO-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cc(C)no2)C1 ZINC001005690371 750528888 /nfs/dbraw/zinc/52/88/88/750528888.db2.gz CZEJRSMMVCQEQU-HIFRSBDPSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cc(C)no2)C1 ZINC001005690371 750528892 /nfs/dbraw/zinc/52/88/92/750528892.db2.gz CZEJRSMMVCQEQU-HIFRSBDPSA-N 1 1 344.415 0.657 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(C)cc3=O)C2)nn1 ZINC001105356340 750564019 /nfs/dbraw/zinc/56/40/19/750564019.db2.gz JZXKSTXMLGKRCT-UHFFFAOYSA-N 1 1 328.376 0.248 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnsn2)CC1 ZINC000981361392 750624810 /nfs/dbraw/zinc/62/48/10/750624810.db2.gz JRJRDKYPINTMLL-HNNXBMFYSA-N 1 1 333.461 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnsn2)CC1 ZINC000981361392 750624815 /nfs/dbraw/zinc/62/48/15/750624815.db2.gz JRJRDKYPINTMLL-HNNXBMFYSA-N 1 1 333.461 0.670 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001005803755 750654887 /nfs/dbraw/zinc/65/48/87/750654887.db2.gz KWQRZEHEMWSUTN-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001005945597 750830848 /nfs/dbraw/zinc/83/08/48/750830848.db2.gz NWBVYILSEXQAIU-WBMJQRKESA-N 1 1 343.431 0.947 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)s1 ZINC001028110452 750913156 /nfs/dbraw/zinc/91/31/56/750913156.db2.gz RZMUPCCTDXXYCA-GXFFZTMASA-N 1 1 333.417 0.382 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)s1 ZINC001028110452 750913157 /nfs/dbraw/zinc/91/31/57/750913157.db2.gz RZMUPCCTDXXYCA-GXFFZTMASA-N 1 1 333.417 0.382 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cn(CCC)nn2)CC1 ZINC001098513842 750939179 /nfs/dbraw/zinc/93/91/79/750939179.db2.gz CNBMGLLHRIRUBA-UHFFFAOYSA-N 1 1 333.436 0.610 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2conc2C)C1=O ZINC001028113318 750940176 /nfs/dbraw/zinc/94/01/76/750940176.db2.gz LCSYKXXUDTZSKG-HIFRSBDPSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2conc2C)C1=O ZINC001028113318 750940179 /nfs/dbraw/zinc/94/01/79/750940179.db2.gz LCSYKXXUDTZSKG-HIFRSBDPSA-N 1 1 332.404 0.964 20 30 ECEDMO CCc1nc(NC[C@H](O)CNC(=O)c2c[nH]c(C#N)c2)cc(C)[nH+]1 ZINC001105830805 762082900 /nfs/dbraw/zinc/08/29/00/762082900.db2.gz NJYAVRVFULRKMB-ZDUSSCGKSA-N 1 1 328.376 0.750 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC000981672007 750952105 /nfs/dbraw/zinc/95/21/05/750952105.db2.gz LVCRAKTVUFSCSA-KBPBESRZSA-N 1 1 339.461 0.505 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC000981672007 750952108 /nfs/dbraw/zinc/95/21/08/750952108.db2.gz LVCRAKTVUFSCSA-KBPBESRZSA-N 1 1 339.461 0.505 20 30 ECEDMO NC(=O)CC(=O)N1CC2(C1)CCC[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC000981679316 750964063 /nfs/dbraw/zinc/96/40/63/750964063.db2.gz NNCVLKGAMWCIDO-UHFFFAOYSA-N 1 1 343.402 0.977 20 30 ECEDMO NC(=O)CC(=O)N1CC2(C1)CCC[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000981679316 750964066 /nfs/dbraw/zinc/96/40/66/750964066.db2.gz NNCVLKGAMWCIDO-UHFFFAOYSA-N 1 1 343.402 0.977 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CCCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000981722347 751002550 /nfs/dbraw/zinc/00/25/50/751002550.db2.gz QHZHLPHOJWSPMG-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC000981767525 751078251 /nfs/dbraw/zinc/07/82/51/751078251.db2.gz QABZPVDGUMEYPK-CQSZACIVSA-N 1 1 341.415 0.320 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001098514023 751125042 /nfs/dbraw/zinc/12/50/42/751125042.db2.gz HYPQSVZKCLWNBJ-UHFFFAOYSA-N 1 1 334.420 0.589 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)c1 ZINC000981850285 751188552 /nfs/dbraw/zinc/18/85/52/751188552.db2.gz BTBLNQXJAIUIOR-OAHLLOKOSA-N 1 1 327.388 0.274 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)c1 ZINC000981850285 751188553 /nfs/dbraw/zinc/18/85/53/751188553.db2.gz BTBLNQXJAIUIOR-OAHLLOKOSA-N 1 1 327.388 0.274 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ncoc2C)C1 ZINC001006312263 751230243 /nfs/dbraw/zinc/23/02/43/751230243.db2.gz DABOVZYJIRWEJC-WFASDCNBSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ncoc2C)C1 ZINC001006312263 751230248 /nfs/dbraw/zinc/23/02/48/751230248.db2.gz DABOVZYJIRWEJC-WFASDCNBSA-N 1 1 344.415 0.657 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)NC3CC3)CC2)cn1 ZINC001006312579 751230645 /nfs/dbraw/zinc/23/06/45/751230645.db2.gz GEXHFIJJIGVLAA-UHFFFAOYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc[nH]c2)C1 ZINC001006313419 751232524 /nfs/dbraw/zinc/23/25/24/751232524.db2.gz GGCGVJQPLSCGSB-CJNGLKHVSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc[nH]c2)C1 ZINC001006313419 751232531 /nfs/dbraw/zinc/23/25/31/751232531.db2.gz GGCGVJQPLSCGSB-CJNGLKHVSA-N 1 1 328.416 0.689 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H](OC)C(C)C)CC2)C1=O ZINC000981877638 751237437 /nfs/dbraw/zinc/23/74/37/751237437.db2.gz JUZQDIKPHTVKDG-HZPDHXFCSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H](OC)C(C)C)CC2)C1=O ZINC000981877638 751237440 /nfs/dbraw/zinc/23/74/40/751237440.db2.gz JUZQDIKPHTVKDG-HZPDHXFCSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CCCO2)C1 ZINC001006320279 751242535 /nfs/dbraw/zinc/24/25/35/751242535.db2.gz OWVSFRIYJWRJDF-BPUTZDHNSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CCCO2)C1 ZINC001006320279 751242538 /nfs/dbraw/zinc/24/25/38/751242538.db2.gz OWVSFRIYJWRJDF-BPUTZDHNSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2cc[nH]n2)C1 ZINC001006322068 751244243 /nfs/dbraw/zinc/24/42/43/751244243.db2.gz ULILINUIECSNMO-BBRMVZONSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2cc[nH]n2)C1 ZINC001006322068 751244246 /nfs/dbraw/zinc/24/42/46/751244246.db2.gz ULILINUIECSNMO-BBRMVZONSA-N 1 1 343.431 0.013 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC000981912750 751260220 /nfs/dbraw/zinc/26/02/20/751260220.db2.gz HJFVDGPGJPDKDR-HNNXBMFYSA-N 1 1 341.415 0.313 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000981910031 751264577 /nfs/dbraw/zinc/26/45/77/751264577.db2.gz PKVUKPOAOORDDV-YESZJQIVSA-N 1 1 332.444 0.986 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccnnc2)C1=O ZINC001028161064 751317525 /nfs/dbraw/zinc/31/75/25/751317525.db2.gz FNUPLVLFVXMBKI-LSDHHAIUSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccnnc2)C1=O ZINC001028161064 751317530 /nfs/dbraw/zinc/31/75/30/751317530.db2.gz FNUPLVLFVXMBKI-LSDHHAIUSA-N 1 1 329.404 0.458 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007338784 752305100 /nfs/dbraw/zinc/30/51/00/752305100.db2.gz SZESXQCTPGKNQY-KBPBESRZSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)CCCC[NH+](C)C)C2)nn1 ZINC001105363174 752341281 /nfs/dbraw/zinc/34/12/81/752341281.db2.gz SHGFWMGZUUUHQR-UHFFFAOYSA-N 1 1 332.452 0.506 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1OC ZINC001211999386 752348721 /nfs/dbraw/zinc/34/87/21/752348721.db2.gz JFGACHWECMQXIB-ZIAGYGMSSA-N 1 1 347.481 0.097 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@H]1OC ZINC001211999386 752348730 /nfs/dbraw/zinc/34/87/30/752348730.db2.gz JFGACHWECMQXIB-ZIAGYGMSSA-N 1 1 347.481 0.097 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000988615014 752383781 /nfs/dbraw/zinc/38/37/81/752383781.db2.gz VTUBJTBTOWMBBQ-FZMZJTMJSA-N 1 1 342.407 0.847 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2[C@@H]2CCN(C)C2=O)CC1 ZINC001028334037 752412560 /nfs/dbraw/zinc/41/25/60/752412560.db2.gz VCLMCWLYPKNFBQ-IAGOWNOFSA-N 1 1 346.475 0.143 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCCC(=O)NCC)C2)nn1 ZINC001105365119 752442670 /nfs/dbraw/zinc/44/26/70/752442670.db2.gz HWZYKHNSYPJELV-UHFFFAOYSA-N 1 1 348.451 0.634 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001059911888 752473945 /nfs/dbraw/zinc/47/39/45/752473945.db2.gz RNYUZBPCIBWLBF-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001059911888 752473954 /nfs/dbraw/zinc/47/39/54/752473954.db2.gz RNYUZBPCIBWLBF-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccncc3)C2)C1=O ZINC001028374883 752503194 /nfs/dbraw/zinc/50/31/94/752503194.db2.gz NUOBXSFLMRADMJ-ZBFHGGJFSA-N 1 1 328.416 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC)C2)C1 ZINC001007566138 752546541 /nfs/dbraw/zinc/54/65/41/752546541.db2.gz GOLHGGNBKOPXFU-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC)C2)C1 ZINC001007566138 752546544 /nfs/dbraw/zinc/54/65/44/752546544.db2.gz GOLHGGNBKOPXFU-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1C(F)(F)F ZINC001112122288 752566677 /nfs/dbraw/zinc/56/66/77/752566677.db2.gz FMHQDMREGIYIIT-HBNTYKKESA-N 1 1 340.367 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001021148927 752595179 /nfs/dbraw/zinc/59/51/79/752595179.db2.gz GIMOPRPYFYQAFL-CWRNSKLLSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001021148927 752595183 /nfs/dbraw/zinc/59/51/83/752595183.db2.gz GIMOPRPYFYQAFL-CWRNSKLLSA-N 1 1 341.415 0.180 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccnn3C)C2)C1=O ZINC001028439461 752643687 /nfs/dbraw/zinc/64/36/87/752643687.db2.gz TZBSTBVGIQHCJW-HIFRSBDPSA-N 1 1 331.420 0.259 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001028448973 752677541 /nfs/dbraw/zinc/67/75/41/752677541.db2.gz RBDPVTGIDLGUGJ-ZFWWWQNUSA-N 1 1 331.420 0.557 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)c(F)c1 ZINC001028448647 752685021 /nfs/dbraw/zinc/68/50/21/752685021.db2.gz LJADNVJFUGHJBB-XJKSGUPXSA-N 1 1 344.390 0.914 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000938033591 752695666 /nfs/dbraw/zinc/69/56/66/752695666.db2.gz IMFPLRAXSVIEIP-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001028465967 752743063 /nfs/dbraw/zinc/74/30/63/752743063.db2.gz NWHHIVKRPZGEGN-RTBURBONSA-N 1 1 341.455 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000938049634 752766106 /nfs/dbraw/zinc/76/61/06/752766106.db2.gz FHQDISDDYSHDHK-HOTGVXAUSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000938049634 752766116 /nfs/dbraw/zinc/76/61/16/752766116.db2.gz FHQDISDDYSHDHK-HOTGVXAUSA-N 1 1 328.416 0.372 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028469527 752766497 /nfs/dbraw/zinc/76/64/97/752766497.db2.gz RVQCPRYTDQRPIX-NEPJUHHUSA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486721 752807194 /nfs/dbraw/zinc/80/71/94/752807194.db2.gz JSIOTGOGJGIQQL-RYUDHWBXSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@@H](c1nncn1C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486721 752807198 /nfs/dbraw/zinc/80/71/98/752807198.db2.gz JSIOTGOGJGIQQL-RYUDHWBXSA-N 1 1 327.392 0.828 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001007774688 752921057 /nfs/dbraw/zinc/92/10/57/752921057.db2.gz JHRSADLFQKYSRV-INIZCTEOSA-N 1 1 331.416 0.712 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H](C)C#N)C2 ZINC001007826720 752964913 /nfs/dbraw/zinc/96/49/13/752964913.db2.gz IXXHQVZPLNTEBD-IFIJOSMWSA-N 1 1 329.404 0.849 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cnnc(C)c3)C2)C1=O ZINC001028507041 752964964 /nfs/dbraw/zinc/96/49/64/752964964.db2.gz NXEIFNSLWBOSDW-HOCLYGCPSA-N 1 1 343.431 0.624 20 30 ECEDMO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1COC(=O)N1 ZINC001028519023 753014983 /nfs/dbraw/zinc/01/49/83/753014983.db2.gz IRSRQCMHMXZQOZ-HOTGVXAUSA-N 1 1 327.384 0.585 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)ccc1F ZINC001028520168 753048033 /nfs/dbraw/zinc/04/80/33/753048033.db2.gz XZGGYOGDQJBDKL-SWLSCSKDSA-N 1 1 346.362 0.744 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nnnn1Cc1ccccc1 ZINC001126383234 753154666 /nfs/dbraw/zinc/15/46/66/753154666.db2.gz GRPGFHHPNPMWRZ-QGZVFWFLSA-N 1 1 344.419 0.254 20 30 ECEDMO CC(C)Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 ZINC001051493962 762203832 /nfs/dbraw/zinc/20/38/32/762203832.db2.gz CNECTKDGUIABFT-KGLIPLIRSA-N 1 1 334.424 0.411 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC001126385806 753344557 /nfs/dbraw/zinc/34/45/57/753344557.db2.gz YQWUHXFIIPJVRP-KRWDZBQOSA-N 1 1 329.404 0.800 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C3CC3)s2)C1 ZINC001051495782 762210178 /nfs/dbraw/zinc/21/01/78/762210178.db2.gz YFGVUXYPZCLNDA-CMPLNLGQSA-N 1 1 335.433 0.892 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1=O ZINC001028583515 753405074 /nfs/dbraw/zinc/40/50/74/753405074.db2.gz WLBIONNBDHLGFB-IRXDYDNUSA-N 1 1 340.427 0.975 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@@]2(C)C1 ZINC000982718402 753409393 /nfs/dbraw/zinc/40/93/93/753409393.db2.gz XVYKOAYOCJQECG-OLMNPRSZSA-N 1 1 343.431 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2noc(CC)n2)[C@@H]1C ZINC001088631090 753442958 /nfs/dbraw/zinc/44/29/58/753442958.db2.gz QIYWPJHAANGLIP-ILXRZTDVSA-N 1 1 345.447 0.809 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2noc(CC)n2)[C@@H]1C ZINC001088631090 753442964 /nfs/dbraw/zinc/44/29/64/753442964.db2.gz QIYWPJHAANGLIP-ILXRZTDVSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@@]2(C)C1 ZINC000982772697 753519449 /nfs/dbraw/zinc/51/94/49/753519449.db2.gz MNCJIZHKQXBEDG-QRQLOZEOSA-N 1 1 349.475 0.980 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2nc(C#N)c(Cl)s2)C1 ZINC001105852988 762222391 /nfs/dbraw/zinc/22/23/91/762222391.db2.gz DNEPAMVWHDTLNS-BDAKNGLRSA-N 1 1 343.840 0.509 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)CC(C)(C)O)CC1(C)C ZINC001008276171 753538129 /nfs/dbraw/zinc/53/81/29/753538129.db2.gz ISRJFHUPZFXWGD-GJZGRUSLSA-N 1 1 349.475 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)CC(C)(C)O)CC1(C)C ZINC001008276171 753538134 /nfs/dbraw/zinc/53/81/34/753538134.db2.gz ISRJFHUPZFXWGD-GJZGRUSLSA-N 1 1 349.475 0.598 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000982780395 753548012 /nfs/dbraw/zinc/54/80/12/753548012.db2.gz WIUQVIOBMRBKIE-XHSDSOJGSA-N 1 1 346.431 0.747 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@@H](O)C2)cc1 ZINC001083361563 753678339 /nfs/dbraw/zinc/67/83/39/753678339.db2.gz UQBAZWBUOZJYCM-OIISXLGYSA-N 1 1 345.399 0.287 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@@H](O)C2)cc1 ZINC001083361563 753678346 /nfs/dbraw/zinc/67/83/46/753678346.db2.gz UQBAZWBUOZJYCM-OIISXLGYSA-N 1 1 345.399 0.287 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCn3ccnn3)C2)nn1 ZINC001098682960 753685999 /nfs/dbraw/zinc/68/59/99/753685999.db2.gz LSLCEEGKFBUWFL-OAHLLOKOSA-N 1 1 344.423 0.399 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CNC(=O)CC(C)(C)C)C2)nn1 ZINC001105374419 753751529 /nfs/dbraw/zinc/75/15/29/753751529.db2.gz ZANQILRQJLSLRA-UHFFFAOYSA-N 1 1 348.451 0.489 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2nccnc2C#N)CC[N@H+]1C ZINC001105533414 753803094 /nfs/dbraw/zinc/80/30/94/753803094.db2.gz RPYPKKMAVOXDHT-KBPBESRZSA-N 1 1 330.436 0.973 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001105558585 753829224 /nfs/dbraw/zinc/82/92/24/753829224.db2.gz YLJQHXOLXNQDTM-IUODEOHRSA-N 1 1 330.436 0.749 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)nn1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001105558791 753830761 /nfs/dbraw/zinc/83/07/61/753830761.db2.gz CGWKBCHRNWCAGN-UHFFFAOYSA-N 1 1 330.436 0.975 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N3CCOCC3)C[C@@]2(C)C1 ZINC000982822370 753861208 /nfs/dbraw/zinc/86/12/08/753861208.db2.gz ZPQLXQXLYKYWKA-YSIASYRMSA-N 1 1 345.487 0.901 20 30 ECEDMO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105582982 753863430 /nfs/dbraw/zinc/86/34/30/753863430.db2.gz CDMCQJQXPISVGU-HUUCEWRRSA-N 1 1 344.419 0.106 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cc3ccn[nH]3)CCO2)s1 ZINC001051511063 762249723 /nfs/dbraw/zinc/24/97/23/762249723.db2.gz VWIBOWCPXFVACQ-ZDUSSCGKSA-N 1 1 345.428 0.903 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001028617792 753947654 /nfs/dbraw/zinc/94/76/54/753947654.db2.gz KRJMOFDSHVRAJZ-OCCSQVGLSA-N 1 1 345.403 0.021 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)CC[N@H+]1C ZINC000925321078 754047674 /nfs/dbraw/zinc/04/76/74/754047674.db2.gz OKVFUXUPFZNERP-HIFRSBDPSA-N 1 1 328.420 0.877 20 30 ECEDMO Cc1cc(N(C)CCN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001105602814 754112569 /nfs/dbraw/zinc/11/25/69/754112569.db2.gz VTFKRTTVKVESDT-RHSMWYFYSA-N 1 1 345.447 0.875 20 30 ECEDMO Cc1cc(N(C)CCN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001105602814 754112576 /nfs/dbraw/zinc/11/25/76/754112576.db2.gz VTFKRTTVKVESDT-RHSMWYFYSA-N 1 1 345.447 0.875 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028639977 754141998 /nfs/dbraw/zinc/14/19/98/754141998.db2.gz HQNNRCILVBULEY-RYUDHWBXSA-N 1 1 339.827 0.737 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028639977 754142002 /nfs/dbraw/zinc/14/20/02/754142002.db2.gz HQNNRCILVBULEY-RYUDHWBXSA-N 1 1 339.827 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cccn2C)C1 ZINC000982920604 754199172 /nfs/dbraw/zinc/19/91/72/754199172.db2.gz DNNXGAIHTAMEHG-RDJZCZTQSA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cccn2C)C1 ZINC000982920604 754199174 /nfs/dbraw/zinc/19/91/74/754199174.db2.gz DNNXGAIHTAMEHG-RDJZCZTQSA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000982921983 754203271 /nfs/dbraw/zinc/20/32/71/754203271.db2.gz IKSXSYCEVYVIBF-XHSDSOJGSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000982921983 754203278 /nfs/dbraw/zinc/20/32/78/754203278.db2.gz IKSXSYCEVYVIBF-XHSDSOJGSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000982923083 754206348 /nfs/dbraw/zinc/20/63/48/754206348.db2.gz OHNQDWYVWVCVEG-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000982923083 754206353 /nfs/dbraw/zinc/20/63/53/754206353.db2.gz OHNQDWYVWVCVEG-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001008854410 754211106 /nfs/dbraw/zinc/21/11/06/754211106.db2.gz MXFGQYLLZXBMKO-VYDXJSESSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001008854410 754211107 /nfs/dbraw/zinc/21/11/07/754211107.db2.gz MXFGQYLLZXBMKO-VYDXJSESSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000983009209 754418668 /nfs/dbraw/zinc/41/86/68/754418668.db2.gz KOVLGOBBIAVPQV-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)nn1 ZINC001105376984 754448425 /nfs/dbraw/zinc/44/84/25/754448425.db2.gz NWGBHMKSWFJCKQ-GJZGRUSLSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](NCc3ccn(C)n3)C[C@H]2C)CC1 ZINC000989829825 754483532 /nfs/dbraw/zinc/48/35/32/754483532.db2.gz WZAIOBNGHRLKNT-QAPCUYQASA-N 1 1 343.475 0.844 20 30 ECEDMO C#CCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001009105695 754541349 /nfs/dbraw/zinc/54/13/49/754541349.db2.gz CMMCILCQJGYAKO-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001009105695 754541352 /nfs/dbraw/zinc/54/13/52/754541352.db2.gz CMMCILCQJGYAKO-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4cn[nH]c4)CCC[C@@H]23)C1=O ZINC000989965480 754597798 /nfs/dbraw/zinc/59/77/98/754597798.db2.gz BDBIHKHJLCUICZ-DAYGRLMNSA-N 1 1 343.431 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C3CC=CC3)C[C@H]21 ZINC001009192139 754635586 /nfs/dbraw/zinc/63/55/86/754635586.db2.gz PKOAQCONFHZDAJ-FJIDUMEYSA-N 1 1 341.455 0.871 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C3CC=CC3)C[C@H]21 ZINC001009192139 754635589 /nfs/dbraw/zinc/63/55/89/754635589.db2.gz PKOAQCONFHZDAJ-FJIDUMEYSA-N 1 1 341.455 0.871 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001009229895 754686372 /nfs/dbraw/zinc/68/63/72/754686372.db2.gz FCCNSEAXWZUTGN-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001009229895 754686377 /nfs/dbraw/zinc/68/63/77/754686377.db2.gz FCCNSEAXWZUTGN-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001009263385 754720075 /nfs/dbraw/zinc/72/00/75/754720075.db2.gz VHWKITVVDCWDOI-ZDUSSCGKSA-N 1 1 325.368 0.788 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H]2CCCNC2=O)CC3)c[nH]1 ZINC000990289053 754926954 /nfs/dbraw/zinc/92/69/54/754926954.db2.gz NNEDWAITXOVOIZ-VKJFTORMSA-N 1 1 341.415 0.892 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001028745340 754953030 /nfs/dbraw/zinc/95/30/30/754953030.db2.gz ZPEKEFNWTWXKDY-SNVBAGLBSA-N 1 1 331.405 0.395 20 30 ECEDMO N#Cc1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3nccs3)C2)c[nH]1 ZINC001051564177 762349187 /nfs/dbraw/zinc/34/91/87/762349187.db2.gz YDANQNZAFMPLND-CYBMUJFWSA-N 1 1 331.401 0.974 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000983269743 755030807 /nfs/dbraw/zinc/03/08/07/755030807.db2.gz USXDFXVVARYPBG-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CNC(=O)N1 ZINC001028774623 755065798 /nfs/dbraw/zinc/06/57/98/755065798.db2.gz YEODDOSSWVOLAD-JKSUJKDBSA-N 1 1 326.400 0.158 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)[nH]1 ZINC001075700479 755071945 /nfs/dbraw/zinc/07/19/45/755071945.db2.gz SEIWMOAJWQXQCP-NILFDRSVSA-N 1 1 327.388 0.311 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC001105878422 762361994 /nfs/dbraw/zinc/36/19/94/762361994.db2.gz RDLAIDXRCNHXKS-KWCYVHTRSA-N 1 1 331.420 0.154 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000983300878 755099870 /nfs/dbraw/zinc/09/98/70/755099870.db2.gz FSOQFYJBYHHNBK-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000983307807 755125165 /nfs/dbraw/zinc/12/51/65/755125165.db2.gz YALXMDOHUBVGNR-KGLIPLIRSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000983307813 755125256 /nfs/dbraw/zinc/12/52/56/755125256.db2.gz YALXMDOHUBVGNR-ZIAGYGMSSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001028793303 755142967 /nfs/dbraw/zinc/14/29/67/755142967.db2.gz VEOYUPUVGUNEFK-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001028800595 755163145 /nfs/dbraw/zinc/16/31/45/755163145.db2.gz WGYCOYUPBLTBOW-HRCADAONSA-N 1 1 335.448 0.781 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001028801796 755169661 /nfs/dbraw/zinc/16/96/61/755169661.db2.gz CQRNXBWVZNLTBI-YESZJQIVSA-N 1 1 347.459 0.618 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001028807149 755188561 /nfs/dbraw/zinc/18/85/61/755188561.db2.gz CJPWYWGZKSINKF-UAGQMJEPSA-N 1 1 343.402 0.737 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001075709264 755192802 /nfs/dbraw/zinc/19/28/02/755192802.db2.gz CPLRYTBZCBLAJJ-TYNCELHUSA-N 1 1 329.404 0.509 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F ZINC001028807702 755192870 /nfs/dbraw/zinc/19/28/70/755192870.db2.gz QAJRPZZHGXAQRN-CFVMTHIKSA-N 1 1 344.390 0.757 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1F ZINC001028807792 755193584 /nfs/dbraw/zinc/19/35/84/755193584.db2.gz SRIQMMLKPNYARE-YUELXQCFSA-N 1 1 344.390 0.757 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001028817078 755215526 /nfs/dbraw/zinc/21/55/26/755215526.db2.gz RQCVLRAZDFFEAF-OLZOCXBDSA-N 1 1 338.843 0.816 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001028817078 755215531 /nfs/dbraw/zinc/21/55/31/755215531.db2.gz RQCVLRAZDFFEAF-OLZOCXBDSA-N 1 1 338.843 0.816 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001060038013 755218422 /nfs/dbraw/zinc/21/84/22/755218422.db2.gz RHBRXXZWVZYSPP-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001028850705 755304684 /nfs/dbraw/zinc/30/46/84/755304684.db2.gz BIKSRUSOEMKWRZ-CYBMUJFWSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001028855201 755317442 /nfs/dbraw/zinc/31/74/42/755317442.db2.gz WYGXTCGKVSCNLQ-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001028857634 755322371 /nfs/dbraw/zinc/32/23/71/755322371.db2.gz ZJFSYKRFRGESBK-QILLFSRXSA-N 1 1 340.427 0.672 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccncn3)C2)C1=O ZINC001028879111 755372078 /nfs/dbraw/zinc/37/20/78/755372078.db2.gz FJKJVKSXQULDDL-HIFRSBDPSA-N 1 1 329.404 0.315 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001028899779 755434607 /nfs/dbraw/zinc/43/46/07/755434607.db2.gz OODRMZZHKZAICC-CABCVRRESA-N 1 1 331.420 0.390 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(N4CCCC4)n3)[C@@H]2C1 ZINC001075967688 755502128 /nfs/dbraw/zinc/50/21/28/755502128.db2.gz RXMVSZKOLHIBBW-GOEBONIOSA-N 1 1 325.416 0.856 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nnc(-c4ccco4)n3)[C@@H]2C1 ZINC001075978269 755553901 /nfs/dbraw/zinc/55/39/01/755553901.db2.gz FGPVEJIXDYEIOX-UONOGXRCSA-N 1 1 340.387 0.489 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC001088782613 755650463 /nfs/dbraw/zinc/65/04/63/755650463.db2.gz AZMADRVLKDBALJ-PWSUYJOCSA-N 1 1 330.396 0.463 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)[C@@H](O)C1 ZINC001083488869 755676006 /nfs/dbraw/zinc/67/60/06/755676006.db2.gz BPESNFJKMSGZGO-MNOVXSKESA-N 1 1 330.310 0.237 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)[C@@H](O)C1 ZINC001083488869 755676010 /nfs/dbraw/zinc/67/60/10/755676010.db2.gz BPESNFJKMSGZGO-MNOVXSKESA-N 1 1 330.310 0.237 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C(F)F)[C@@H](O)C1 ZINC001083490267 755678985 /nfs/dbraw/zinc/67/89/85/755678985.db2.gz XDOAQRWNLHOAEZ-YPMHNXCESA-N 1 1 328.363 0.867 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)[C@@H](O)C1 ZINC001083495660 755702174 /nfs/dbraw/zinc/70/21/74/755702174.db2.gz KNCMQSRHJMNEBK-CVEARBPZSA-N 1 1 342.399 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ncoc1CC ZINC001076002700 755779561 /nfs/dbraw/zinc/77/95/61/755779561.db2.gz XMMNWSROXXDZAZ-KBPBESRZSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ncoc1CC ZINC001076002700 755779567 /nfs/dbraw/zinc/77/95/67/755779567.db2.gz XMMNWSROXXDZAZ-KBPBESRZSA-N 1 1 346.431 0.959 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001060075516 755825337 /nfs/dbraw/zinc/82/53/37/755825337.db2.gz GSQALZXTFDLQNR-GJZGRUSLSA-N 1 1 342.447 0.905 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083526386 755923003 /nfs/dbraw/zinc/92/30/03/755923003.db2.gz PIAKIZOCKSWQSP-WBVHZDCISA-N 1 1 343.431 0.425 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3nccnc3c2)[C@@H](O)C1 ZINC001083531208 755952075 /nfs/dbraw/zinc/95/20/75/755952075.db2.gz BLEGRVKOECIAKU-CABCVRRESA-N 1 1 327.388 0.766 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001126916031 755981436 /nfs/dbraw/zinc/98/14/36/755981436.db2.gz MDCQUGDFVVLPJX-CQSZACIVSA-N 1 1 333.436 0.570 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001076008992 755986825 /nfs/dbraw/zinc/98/68/25/755986825.db2.gz QGJBQGBMLXWDBO-RRFJBIMHSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CCc3nc[nH]n3)CC2)C1=O ZINC000990826420 756001021 /nfs/dbraw/zinc/00/10/21/756001021.db2.gz BMTBDRDJQDEERV-CQSZACIVSA-N 1 1 346.435 0.105 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2cnn3c2CCCC3)[C@@H](O)C1 ZINC001083541465 756050417 /nfs/dbraw/zinc/05/04/17/756050417.db2.gz IECDBPNWJRIXQU-WBVHZDCISA-N 1 1 332.448 0.889 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)C1=O ZINC001010416203 756104106 /nfs/dbraw/zinc/10/41/06/756104106.db2.gz PIDKMVOORQJRHI-DOMZBBRYSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)C1=O ZINC001010416203 756104111 /nfs/dbraw/zinc/10/41/11/756104111.db2.gz PIDKMVOORQJRHI-DOMZBBRYSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001098661999 756132353 /nfs/dbraw/zinc/13/23/53/756132353.db2.gz WZXLQWIXLORCNT-HNNXBMFYSA-N 1 1 325.376 0.841 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001010456416 756150331 /nfs/dbraw/zinc/15/03/31/756150331.db2.gz FXTKKEYZTIOQHI-CQSZACIVSA-N 1 1 327.392 0.599 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)c1 ZINC001010459205 756154074 /nfs/dbraw/zinc/15/40/74/756154074.db2.gz XCNTVCMJYSXJQY-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)[C@@H]3C2)cc1 ZINC001076188010 756189893 /nfs/dbraw/zinc/18/98/93/756189893.db2.gz XTPGAMMQIKCUPF-DOTOQJQBSA-N 1 1 349.394 0.988 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)c1 ZINC001076196561 756202890 /nfs/dbraw/zinc/20/28/90/756202890.db2.gz KEODWKQZFXABBH-ARFHVFGLSA-N 1 1 339.399 0.272 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccnnc4)[C@@H]3C2)C1=O ZINC001076282915 756319932 /nfs/dbraw/zinc/31/99/32/756319932.db2.gz SUWIVQDGABTARB-HRCADAONSA-N 1 1 341.415 0.410 20 30 ECEDMO CC1CCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001010651326 756352150 /nfs/dbraw/zinc/35/21/50/756352150.db2.gz QDXOFQCYHSHLOH-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1CCN(C(=O)C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001010651326 756352156 /nfs/dbraw/zinc/35/21/56/756352156.db2.gz QDXOFQCYHSHLOH-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)ccc1F ZINC001010666394 756370212 /nfs/dbraw/zinc/37/02/12/756370212.db2.gz CTVFQEVMWKLENT-CYBMUJFWSA-N 1 1 344.350 0.385 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)ccc1F ZINC001010666394 756370216 /nfs/dbraw/zinc/37/02/16/756370216.db2.gz CTVFQEVMWKLENT-CYBMUJFWSA-N 1 1 344.350 0.385 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)nn1 ZINC001076336079 756377717 /nfs/dbraw/zinc/37/77/17/756377717.db2.gz JJZJFKKGDCCPIV-GOEBONIOSA-N 1 1 341.419 0.507 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)nn1 ZINC001076336159 756377905 /nfs/dbraw/zinc/37/79/05/756377905.db2.gz MLEVMZPZLIQDFE-KCQAQPDRSA-N 1 1 346.435 0.087 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)nn1 ZINC001076336159 756377910 /nfs/dbraw/zinc/37/79/10/756377910.db2.gz MLEVMZPZLIQDFE-KCQAQPDRSA-N 1 1 346.435 0.087 20 30 ECEDMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010671822 756379299 /nfs/dbraw/zinc/37/92/99/756379299.db2.gz VUESPEXNYBURFK-OAHLLOKOSA-N 1 1 343.362 0.365 20 30 ECEDMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010671822 756379303 /nfs/dbraw/zinc/37/93/03/756379303.db2.gz VUESPEXNYBURFK-OAHLLOKOSA-N 1 1 343.362 0.365 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)nn1 ZINC001076345213 756395739 /nfs/dbraw/zinc/39/57/39/756395739.db2.gz UMXCBRZIMNPHQR-VNHYZAJKSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)nn1 ZINC001076345213 756395747 /nfs/dbraw/zinc/39/57/47/756395747.db2.gz UMXCBRZIMNPHQR-VNHYZAJKSA-N 1 1 346.435 0.135 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010692688 756405970 /nfs/dbraw/zinc/40/59/70/756405970.db2.gz NNYUJDZQTVRKDR-SWLSCSKDSA-N 1 1 334.445 0.641 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010692688 756405973 /nfs/dbraw/zinc/40/59/73/756405973.db2.gz NNYUJDZQTVRKDR-SWLSCSKDSA-N 1 1 334.445 0.641 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1C1CC1 ZINC001051611576 762465404 /nfs/dbraw/zinc/46/54/04/762465404.db2.gz LUIGHIHEOFKKAY-INIZCTEOSA-N 1 1 343.431 0.652 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)CCCN(C(=O)[C@H](C)C#N)C2 ZINC001010735910 756462743 /nfs/dbraw/zinc/46/27/43/756462743.db2.gz KKMSNSVWRIDOPK-CYBMUJFWSA-N 1 1 329.404 0.802 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC(F)(F)F)n2)[C@@H](O)C1 ZINC001083547681 756464678 /nfs/dbraw/zinc/46/46/78/756464678.db2.gz YDWMCDTYVVUFOG-NEPJUHHUSA-N 1 1 332.326 0.796 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC(F)(F)F)n2)[C@@H](O)C1 ZINC001083547681 756464680 /nfs/dbraw/zinc/46/46/80/756464680.db2.gz YDWMCDTYVVUFOG-NEPJUHHUSA-N 1 1 332.326 0.796 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076438544 756515752 /nfs/dbraw/zinc/51/57/52/756515752.db2.gz FTGAQKGEBGQUOI-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076438544 756515757 /nfs/dbraw/zinc/51/57/57/756515757.db2.gz FTGAQKGEBGQUOI-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)[C@@H]2C1 ZINC001076455844 756532312 /nfs/dbraw/zinc/53/23/12/756532312.db2.gz BXJRVGQJKPJQTM-GXTWGEPZSA-N 1 1 325.372 0.605 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)nc1 ZINC001076475969 756562753 /nfs/dbraw/zinc/56/27/53/756562753.db2.gz OMIAROVKDWUYNX-USXIJHARSA-N 1 1 338.411 0.440 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3ccnn3C)C2)nn1 ZINC001098663402 756567581 /nfs/dbraw/zinc/56/75/81/756567581.db2.gz FFJHMPJMSCYMCB-INIZCTEOSA-N 1 1 343.435 0.693 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)C1 ZINC001010838734 756586375 /nfs/dbraw/zinc/58/63/75/756586375.db2.gz VRSDEBDJCRWWJW-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)C1 ZINC001010838734 756586379 /nfs/dbraw/zinc/58/63/79/756586379.db2.gz VRSDEBDJCRWWJW-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1F ZINC001010841572 756590581 /nfs/dbraw/zinc/59/05/81/756590581.db2.gz NDEFRHDVLQWGHJ-TZMCWYRMSA-N 1 1 332.335 0.496 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1F ZINC001010841572 756590585 /nfs/dbraw/zinc/59/05/85/756590585.db2.gz NDEFRHDVLQWGHJ-TZMCWYRMSA-N 1 1 332.335 0.496 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)[C@@H]2C1 ZINC001076530617 756616076 /nfs/dbraw/zinc/61/60/76/756616076.db2.gz XBAFNYSHDNWBJR-LSDHHAIUSA-N 1 1 338.415 0.911 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)cn2)C1 ZINC001060128865 756809010 /nfs/dbraw/zinc/80/90/10/756809010.db2.gz AAENYSZBFCZWOS-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)cn2)C1 ZINC001060128865 756809014 /nfs/dbraw/zinc/80/90/14/756809014.db2.gz AAENYSZBFCZWOS-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ccncc2C#N)C1 ZINC001060129902 756825874 /nfs/dbraw/zinc/82/58/74/756825874.db2.gz XLGGHZKOLZSTMS-WBVHZDCISA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ccncc2C#N)C1 ZINC001060129902 756825878 /nfs/dbraw/zinc/82/58/78/756825878.db2.gz XLGGHZKOLZSTMS-WBVHZDCISA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nccn2CC)CC1 ZINC001011060172 756853388 /nfs/dbraw/zinc/85/33/88/756853388.db2.gz NSLLFLYIONWDQJ-HNNXBMFYSA-N 1 1 343.431 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nccn2CC)CC1 ZINC001011060172 756853392 /nfs/dbraw/zinc/85/33/92/756853392.db2.gz NSLLFLYIONWDQJ-HNNXBMFYSA-N 1 1 343.431 0.285 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990933535 756905711 /nfs/dbraw/zinc/90/57/11/756905711.db2.gz ZGSINISDGBXXTP-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC(=O)N(CCOC)C3)CCC[C@@H]12 ZINC000990938859 756926405 /nfs/dbraw/zinc/92/64/05/756926405.db2.gz YGQFZFAXVBNAIR-FRQCXROJSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnoc2CC)CC1 ZINC001011150155 757035535 /nfs/dbraw/zinc/03/55/35/757035535.db2.gz YPZZXECUOORVBV-HNNXBMFYSA-N 1 1 344.415 0.619 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnoc2CC)CC1 ZINC001011150155 757035543 /nfs/dbraw/zinc/03/55/43/757035543.db2.gz YPZZXECUOORVBV-HNNXBMFYSA-N 1 1 344.415 0.619 20 30 ECEDMO COc1coc(C[N@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)cc1=O ZINC001048812136 757073289 /nfs/dbraw/zinc/07/32/89/757073289.db2.gz BUISWSDAIXYWFE-GASCZTMLSA-N 1 1 342.395 0.952 20 30 ECEDMO COc1coc(C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)cc1=O ZINC001048812136 757073295 /nfs/dbraw/zinc/07/32/95/757073295.db2.gz BUISWSDAIXYWFE-GASCZTMLSA-N 1 1 342.395 0.952 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001048824889 757116518 /nfs/dbraw/zinc/11/65/18/757116518.db2.gz OGAHUVNRWCOWNR-HOTGVXAUSA-N 1 1 335.448 0.162 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)[nH]n3)nn2)C1 ZINC001107159849 757133045 /nfs/dbraw/zinc/13/30/45/757133045.db2.gz XIKKHLKPCHZVPS-UHFFFAOYSA-N 1 1 329.408 0.601 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)n[nH]3)nn2)C1 ZINC001107159849 757133050 /nfs/dbraw/zinc/13/30/50/757133050.db2.gz XIKKHLKPCHZVPS-UHFFFAOYSA-N 1 1 329.408 0.601 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccns4)C[C@H]3C2)C1=O ZINC001048846944 757164427 /nfs/dbraw/zinc/16/44/27/757164427.db2.gz RHHYWZYWLLBZPY-HZSPNIEDSA-N 1 1 346.456 0.934 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@H]2C1 ZINC001048860700 757207735 /nfs/dbraw/zinc/20/77/35/757207735.db2.gz BEWKAMGOSVHWAV-BBWFWOEESA-N 1 1 329.448 0.227 20 30 ECEDMO CO[C@H](C)C[NH+]1CC(n2cc(CNC(=O)C#CC(C)(C)C)nn2)C1 ZINC001107171229 757217385 /nfs/dbraw/zinc/21/73/85/757217385.db2.gz OOHKZFLYYNQGEM-CYBMUJFWSA-N 1 1 333.436 0.835 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001048864897 757223241 /nfs/dbraw/zinc/22/32/41/757223241.db2.gz PAUXYIDRMHYWMC-GASCZTMLSA-N 1 1 342.443 0.957 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2C1 ZINC001048875002 757255746 /nfs/dbraw/zinc/25/57/46/757255746.db2.gz DOIFWDUOAQDWHA-PHIMTYICSA-N 1 1 344.253 0.797 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2C1 ZINC001048875002 757255751 /nfs/dbraw/zinc/25/57/51/757255751.db2.gz DOIFWDUOAQDWHA-PHIMTYICSA-N 1 1 344.253 0.797 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891327 757312678 /nfs/dbraw/zinc/31/26/78/757312678.db2.gz OOOLVQHPWSKXGF-APIJFGDWSA-N 1 1 327.856 0.848 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@H]2C1 ZINC001048893191 757316288 /nfs/dbraw/zinc/31/62/88/757316288.db2.gz OQLMUAHCFVZNFL-XQHKEYJVSA-N 1 1 332.322 0.356 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(C#N)n2)C1 ZINC001060145396 757338084 /nfs/dbraw/zinc/33/80/84/757338084.db2.gz QMHFURGWFKFQHA-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001011275368 757371531 /nfs/dbraw/zinc/37/15/31/757371531.db2.gz KYCDWVRMBCCFIR-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001011275368 757371544 /nfs/dbraw/zinc/37/15/44/757371544.db2.gz KYCDWVRMBCCFIR-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)nn1 ZINC001021404117 757398216 /nfs/dbraw/zinc/39/82/16/757398216.db2.gz SHALZBSVOPLYQR-YHWZYXNKSA-N 1 1 332.408 0.065 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)c1 ZINC001076885444 757464900 /nfs/dbraw/zinc/46/49/00/757464900.db2.gz AKGJJNLFFYCDSC-BRWVUGGUSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)c1 ZINC001076885444 757464906 /nfs/dbraw/zinc/46/49/06/757464906.db2.gz AKGJJNLFFYCDSC-BRWVUGGUSA-N 1 1 329.400 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2occc2C)CC1 ZINC001011315039 757491098 /nfs/dbraw/zinc/49/10/98/757491098.db2.gz UUQNHFYPHBSBAL-INIZCTEOSA-N 1 1 343.427 0.899 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2occc2C)CC1 ZINC001011315039 757491102 /nfs/dbraw/zinc/49/11/02/757491102.db2.gz UUQNHFYPHBSBAL-INIZCTEOSA-N 1 1 343.427 0.899 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001011321964 757513878 /nfs/dbraw/zinc/51/38/78/757513878.db2.gz DHMLQPYAAJHLFH-IIDMSEBBSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001011321964 757513887 /nfs/dbraw/zinc/51/38/87/757513887.db2.gz DHMLQPYAAJHLFH-IIDMSEBBSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4c[nH]nc4C)C[C@H]3C2)C1=O ZINC001048971121 757554749 /nfs/dbraw/zinc/55/47/49/757554749.db2.gz VDKBSQIBXVBNHP-IJEWVQPXSA-N 1 1 343.431 0.509 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048973075 757559704 /nfs/dbraw/zinc/55/97/04/757559704.db2.gz KBJRMUMZBOROGU-HOTGVXAUSA-N 1 1 337.464 0.550 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@@H]3C2)cc1 ZINC001048973792 757562589 /nfs/dbraw/zinc/56/25/89/757562589.db2.gz YSUQNEVQZCXFJL-CALCHBBNSA-N 1 1 325.412 0.760 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000996445642 757622722 /nfs/dbraw/zinc/62/27/22/757622722.db2.gz ZLAZAKMTAGNNDW-AWEZNQCLSA-N 1 1 330.432 0.957 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC001011404231 757638418 /nfs/dbraw/zinc/63/84/18/757638418.db2.gz KDTVTKYRXOIBQC-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001049003180 757660033 /nfs/dbraw/zinc/66/00/33/757660033.db2.gz BEUPXANDNSYDJY-HOTGVXAUSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021607246 757681229 /nfs/dbraw/zinc/68/12/29/757681229.db2.gz UGQBQKVPWBEGCK-JKSUJKDBSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001021611402 757684141 /nfs/dbraw/zinc/68/41/41/757684141.db2.gz PMMFYYRTGSUBFD-CABCVRRESA-N 1 1 338.415 0.992 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)C1 ZINC001107210040 757689386 /nfs/dbraw/zinc/68/93/86/757689386.db2.gz BVOKTXLJMKLHQW-RDFMZFSFSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)C1 ZINC001107210040 757689389 /nfs/dbraw/zinc/68/93/89/757689389.db2.gz BVOKTXLJMKLHQW-RDFMZFSFSA-N 1 1 330.392 0.153 20 30 ECEDMO C=C(C)CN1CC(n2cc(CNC(=O)C[N@@H+]3CC[C@H](C)C3)nn2)C1 ZINC001107211736 757702643 /nfs/dbraw/zinc/70/26/43/757702643.db2.gz ZBSXWAYVKQENGR-AWEZNQCLSA-N 1 1 332.452 0.669 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021632769 757714206 /nfs/dbraw/zinc/71/42/06/757714206.db2.gz MGXVJXMLGRDCFK-HOTGVXAUSA-N 1 1 347.463 0.861 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4cn(C)nn4)C[C@@H]3C2)c1 ZINC001049048089 757776770 /nfs/dbraw/zinc/77/67/70/757776770.db2.gz ZDMJWAQHWYTPFD-IYBDPMFKSA-N 1 1 336.399 0.395 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cn(C)nn4)C[C@@H]3C2)c1 ZINC001049048089 757776776 /nfs/dbraw/zinc/77/67/76/757776776.db2.gz ZDMJWAQHWYTPFD-IYBDPMFKSA-N 1 1 336.399 0.395 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001021688024 757782638 /nfs/dbraw/zinc/78/26/38/757782638.db2.gz KPTFTHPGNDKFEM-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]32)nn1 ZINC001021688704 757783699 /nfs/dbraw/zinc/78/36/99/757783699.db2.gz QDAREIIKAANZTI-HIFRSBDPSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]32)nn1 ZINC001021688704 757783703 /nfs/dbraw/zinc/78/37/03/757783703.db2.gz QDAREIIKAANZTI-HIFRSBDPSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CCN1CC(n2cc(CNC(=O)Cn3cc[nH+]c3C(C)C)nn2)C1 ZINC001107215415 757792017 /nfs/dbraw/zinc/79/20/17/757792017.db2.gz GTWOWUFENLDPAE-UHFFFAOYSA-N 1 1 341.419 0.404 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC001076992136 757829188 /nfs/dbraw/zinc/82/91/88/757829188.db2.gz GYVZUNMWGNHGKQ-HZPDHXFCSA-N 1 1 336.436 0.579 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001021709545 757838782 /nfs/dbraw/zinc/83/87/82/757838782.db2.gz CESBVBVNXZUZQQ-DZGCQCFKSA-N 1 1 339.399 0.995 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001021709549 757839297 /nfs/dbraw/zinc/83/92/97/757839297.db2.gz CESBVBVNXZUZQQ-UKRRQHHQSA-N 1 1 339.399 0.995 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001021711188 757843480 /nfs/dbraw/zinc/84/34/80/757843480.db2.gz TWLBAYJRXAXUDJ-ZIAGYGMSSA-N 1 1 346.431 0.263 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2nc(C)ccc2=O)C1 ZINC001021716381 757855191 /nfs/dbraw/zinc/85/51/91/757855191.db2.gz DGMKLKVEABPQTM-SJORKVTESA-N 1 1 342.443 0.888 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 ZINC001076992109 757866297 /nfs/dbraw/zinc/86/62/97/757866297.db2.gz FUXGDQHQCWDPLZ-HZPDHXFCSA-N 1 1 336.436 0.579 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001021728922 757870458 /nfs/dbraw/zinc/87/04/58/757870458.db2.gz WPDNTPNVWZYQLB-KGLIPLIRSA-N 1 1 348.447 0.816 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cc(C)on2)C1 ZINC001021729174 757872737 /nfs/dbraw/zinc/87/27/37/757872737.db2.gz DDJIMKHOGALOEM-KBPBESRZSA-N 1 1 330.388 0.868 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021730343 757873675 /nfs/dbraw/zinc/87/36/75/757873675.db2.gz MOFXFCGCXIXFGK-CABCVRRESA-N 1 1 346.431 0.217 20 30 ECEDMO Cc1cc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001051650287 762587097 /nfs/dbraw/zinc/58/70/97/762587097.db2.gz IFRAGOOFEBREOY-CABCVRRESA-N 1 1 340.387 0.663 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cncc(N4CCCC4)n3)C[C@H]2C1 ZINC001049098554 757953890 /nfs/dbraw/zinc/95/38/90/757953890.db2.gz IJEZNWUDOLOXPT-GASCZTMLSA-N 1 1 325.416 0.714 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C[C@H]2C1 ZINC001049100583 757958328 /nfs/dbraw/zinc/95/83/28/757958328.db2.gz OFYZRUGFRVZTHO-BBWFWOEESA-N 1 1 329.444 0.801 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001049111495 757987895 /nfs/dbraw/zinc/98/78/95/757987895.db2.gz TXMRSGIKAWTUKW-KSWRQPAISA-N 1 1 349.475 0.835 20 30 ECEDMO C=CCCC[N@H+]1C[C@H](NC(=O)Cn2cnnn2)CC2(CCOCC2)C1 ZINC001099561960 758025108 /nfs/dbraw/zinc/02/51/08/758025108.db2.gz KQUAFFHDIYRFPK-OAHLLOKOSA-N 1 1 348.451 0.627 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]3C2)s1 ZINC001049123063 758034313 /nfs/dbraw/zinc/03/43/13/758034313.db2.gz WFQKWMNTKGFSSL-PHIMTYICSA-N 1 1 328.401 0.942 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001077047780 758034941 /nfs/dbraw/zinc/03/49/41/758034941.db2.gz SVCKBKLREKGPAF-QLFBSQMISA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001077047780 758034949 /nfs/dbraw/zinc/03/49/49/758034949.db2.gz SVCKBKLREKGPAF-QLFBSQMISA-N 1 1 335.448 0.208 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccncc3)CCC[C@@H]12 ZINC001107252365 758045837 /nfs/dbraw/zinc/04/58/37/758045837.db2.gz JSFOQMLLNXIKHB-CRAIPNDOSA-N 1 1 341.415 0.696 20 30 ECEDMO N#Cc1cnccc1NC/C=C\CNC(=O)CC[NH+]1CCOCC1 ZINC001107253872 758052168 /nfs/dbraw/zinc/05/21/68/758052168.db2.gz KDSFKIMXEDFFNK-UPHRSURJSA-N 1 1 329.404 0.182 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(=O)[nH]n3)CCC[C@@H]12 ZINC001107264750 758101432 /nfs/dbraw/zinc/10/14/32/758101432.db2.gz IOCFYQHNRKQXPW-CRAIPNDOSA-N 1 1 344.415 0.806 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(CC)c(CC)n[nH]c2=O)C1 ZINC001077082134 758113505 /nfs/dbraw/zinc/11/35/05/758113505.db2.gz CKCDPPZHINUOFL-ZIAGYGMSSA-N 1 1 334.420 0.658 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O ZINC001049144665 758116843 /nfs/dbraw/zinc/11/68/43/758116843.db2.gz CLVKAFUZXRFVTE-HOTGVXAUSA-N 1 1 337.464 0.408 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001077083619 758116904 /nfs/dbraw/zinc/11/69/04/758116904.db2.gz BECKFMJADYYPMU-FVQBIDKESA-N 1 1 335.448 0.208 20 30 ECEDMO CN(C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001021983801 758128908 /nfs/dbraw/zinc/12/89/08/758128908.db2.gz FQABMYZJSPMKPJ-PHIMTYICSA-N 1 1 329.364 0.386 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C2)C1 ZINC001049150061 758133027 /nfs/dbraw/zinc/13/30/27/758133027.db2.gz PPXGNTIGXUPNQZ-GJZGRUSLSA-N 1 1 337.464 0.715 20 30 ECEDMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C1CC1 ZINC001021991676 758141960 /nfs/dbraw/zinc/14/19/60/758141960.db2.gz VCFKEXIRMATUSD-ZMLRMANQSA-N 1 1 340.391 0.819 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CCn3cncn3)CCC[C@@H]12 ZINC001107283647 758188519 /nfs/dbraw/zinc/18/85/19/758188519.db2.gz JKAOIAPROSSRLH-SJLPKXTDSA-N 1 1 345.447 0.679 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCO3)CCC[C@@H]12 ZINC001107283793 758189337 /nfs/dbraw/zinc/18/93/37/758189337.db2.gz LWLXAXQNHWKHGR-JFIYKMOQSA-N 1 1 338.448 0.965 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ncoc2C)C1=O ZINC001032306722 758192241 /nfs/dbraw/zinc/19/22/41/758192241.db2.gz LYFDVQCHMCGSSR-IHRRRGAJSA-N 1 1 330.388 0.669 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ncoc2C)C1=O ZINC001032306722 758192244 /nfs/dbraw/zinc/19/22/44/758192244.db2.gz LYFDVQCHMCGSSR-IHRRRGAJSA-N 1 1 330.388 0.669 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001049172114 758213117 /nfs/dbraw/zinc/21/31/17/758213117.db2.gz OUBNTYUKDBLWFR-FZKCQIBNSA-N 1 1 337.464 0.713 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCn4cccn4)C[C@@H]3C2)cn1 ZINC001049177680 758231271 /nfs/dbraw/zinc/23/12/71/758231271.db2.gz HWZVAAVUTWANNQ-CALCHBBNSA-N 1 1 335.411 0.963 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)[C@@H](O)C1 ZINC001083564275 758232516 /nfs/dbraw/zinc/23/25/16/758232516.db2.gz VAWIMYYUPBEGPZ-NFAWXSAZSA-N 1 1 334.420 0.195 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)[C@@H](O)C1 ZINC001083564275 758232521 /nfs/dbraw/zinc/23/25/21/758232521.db2.gz VAWIMYYUPBEGPZ-NFAWXSAZSA-N 1 1 334.420 0.195 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)COCC1CC1 ZINC001077123803 758249609 /nfs/dbraw/zinc/24/96/09/758249609.db2.gz DFNOVPNGALAJKQ-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)COCC1CC1 ZINC001077123803 758249619 /nfs/dbraw/zinc/24/96/19/758249619.db2.gz DFNOVPNGALAJKQ-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[C@@H]1CCOC1 ZINC001077123746 758250043 /nfs/dbraw/zinc/25/00/43/758250043.db2.gz BFCZIYQJBWQDQT-BBWFWOEESA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[C@@H]1CCOC1 ZINC001077123746 758250050 /nfs/dbraw/zinc/25/00/50/758250050.db2.gz BFCZIYQJBWQDQT-BBWFWOEESA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnns1 ZINC001077123743 758250099 /nfs/dbraw/zinc/25/00/99/758250099.db2.gz BBYOSJYAKDLHTH-RYUDHWBXSA-N 1 1 335.433 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnns1 ZINC001077123743 758250104 /nfs/dbraw/zinc/25/01/04/758250104.db2.gz BBYOSJYAKDLHTH-RYUDHWBXSA-N 1 1 335.433 0.260 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001022099296 758276285 /nfs/dbraw/zinc/27/62/85/758276285.db2.gz HTJURTONJOPJDM-QNSTZXKLSA-N 1 1 334.424 0.489 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 ZINC001049196855 758278535 /nfs/dbraw/zinc/27/85/35/758278535.db2.gz BSXAQMMCBLHIKH-BETUJISGSA-N 1 1 339.827 0.033 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001077124224 758282789 /nfs/dbraw/zinc/28/27/89/758282789.db2.gz NTBLYOKMYCPKDB-XUXIUFHCSA-N 1 1 341.402 0.996 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001077124224 758282807 /nfs/dbraw/zinc/28/28/07/758282807.db2.gz NTBLYOKMYCPKDB-XUXIUFHCSA-N 1 1 341.402 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ccco1 ZINC001077125100 758288281 /nfs/dbraw/zinc/28/82/81/758288281.db2.gz MZSGTXAHRZXLRE-HOCLYGCPSA-N 1 1 331.416 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ccco1 ZINC001077125100 758288291 /nfs/dbraw/zinc/28/82/91/758288291.db2.gz MZSGTXAHRZXLRE-HOCLYGCPSA-N 1 1 331.416 0.931 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1ccc(C)n1 ZINC001077125549 758292153 /nfs/dbraw/zinc/29/21/53/758292153.db2.gz WSUJTTZAPSEXTE-HOCLYGCPSA-N 1 1 345.447 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1ccc(C)n1 ZINC001077125549 758292162 /nfs/dbraw/zinc/29/21/62/758292162.db2.gz WSUJTTZAPSEXTE-HOCLYGCPSA-N 1 1 345.447 0.300 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001077152751 758360472 /nfs/dbraw/zinc/36/04/72/758360472.db2.gz IPOVPQFBVZUIII-NVXWUHKLSA-N 1 1 332.448 0.272 20 30 ECEDMO COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC001107366430 758377061 /nfs/dbraw/zinc/37/70/61/758377061.db2.gz DCPNMHJGFYQYJQ-JFIYKMOQSA-N 1 1 346.431 0.868 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3nc(C4CC4)nn3C)C[C@H]2C1 ZINC001049226346 758381803 /nfs/dbraw/zinc/38/18/03/758381803.db2.gz GEGQEEIMIWPJIU-GASCZTMLSA-N 1 1 327.432 0.649 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC/C=C/CNc2ccnc(C#N)n2)C1 ZINC001107374986 758401581 /nfs/dbraw/zinc/40/15/81/758401581.db2.gz LXTHJSIFITVVKZ-BWPKMQGJSA-N 1 1 342.447 0.832 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(c3nccnc3C#N)C[C@H]2C1 ZINC001049244423 758421296 /nfs/dbraw/zinc/42/12/96/758421296.db2.gz GSZDYWFASFEKCC-IJEWVQPXSA-N 1 1 340.431 0.727 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(c3cncc(C#N)n3)C[C@H]2C1 ZINC001049244362 758421688 /nfs/dbraw/zinc/42/16/88/758421688.db2.gz FROQVKWKIGWDNA-IJEWVQPXSA-N 1 1 340.431 0.727 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001077171617 758425200 /nfs/dbraw/zinc/42/52/00/758425200.db2.gz LCSAXQYYIFLRSW-ZIAGYGMSSA-N 1 1 331.372 0.369 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)(F)F)C1 ZINC001077185313 758443963 /nfs/dbraw/zinc/44/39/63/758443963.db2.gz VWCRMPSYRDSWLE-ZYHUDNBSSA-N 1 1 330.310 0.244 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC=C)CC2 ZINC001107401334 758499056 /nfs/dbraw/zinc/49/90/56/758499056.db2.gz IRXASQSJBKFUQX-FRQCXROJSA-N 1 1 347.459 0.688 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NC(=O)COC)CCC[C@@H]12 ZINC001107417558 758502191 /nfs/dbraw/zinc/50/21/91/758502191.db2.gz KKZDDVICUUKJCB-IIDMSEBBSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccn[nH]2)C1=O ZINC001049342996 758540522 /nfs/dbraw/zinc/54/05/22/758540522.db2.gz WUJWURYVXSZQIG-XHSDSOJGSA-N 1 1 343.431 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc[nH]n2)C1=O ZINC001049342996 758540525 /nfs/dbraw/zinc/54/05/25/758540525.db2.gz WUJWURYVXSZQIG-XHSDSOJGSA-N 1 1 343.431 0.876 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001077217774 758540424 /nfs/dbraw/zinc/54/04/24/758540424.db2.gz DUZJZFYQRWOHFA-GZBFAFLISA-N 1 1 334.420 0.195 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc[nH]n2)C1=O ZINC001049342996 758540533 /nfs/dbraw/zinc/54/05/33/758540533.db2.gz WUJWURYVXSZQIG-XHSDSOJGSA-N 1 1 343.431 0.876 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)C#CC1CC1 ZINC001077222760 758550442 /nfs/dbraw/zinc/55/04/42/758550442.db2.gz AWLZYNOYRHTTJP-LBPRGKRZSA-N 1 1 332.404 0.774 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)COCc3nccn3C)CCC[C@@H]12 ZINC001107444988 758582181 /nfs/dbraw/zinc/58/21/81/758582181.db2.gz ITRQHSBKNFSYGD-CRAIPNDOSA-N 1 1 330.432 0.931 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)nc1 ZINC001011804644 758626807 /nfs/dbraw/zinc/62/68/07/758626807.db2.gz JQJALRIIQOVEQJ-GDBMZVCRSA-N 1 1 340.427 0.545 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)NC2CC2)c[nH]1 ZINC001049425877 758669881 /nfs/dbraw/zinc/66/98/81/758669881.db2.gz PYZGTHJZBRXCPW-HOTGVXAUSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)NC2CC2)c[nH]1 ZINC001049425877 758669885 /nfs/dbraw/zinc/66/98/85/758669885.db2.gz PYZGTHJZBRXCPW-HOTGVXAUSA-N 1 1 341.415 0.844 20 30 ECEDMO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077285948 758715822 /nfs/dbraw/zinc/71/58/22/758715822.db2.gz FHZSYJDBTZXMKD-IAGOWNOFSA-N 1 1 339.399 0.819 20 30 ECEDMO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077285948 758715831 /nfs/dbraw/zinc/71/58/31/758715831.db2.gz FHZSYJDBTZXMKD-IAGOWNOFSA-N 1 1 339.399 0.819 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2N2CCCC2)C1 ZINC001077320458 758789201 /nfs/dbraw/zinc/78/92/01/758789201.db2.gz DIIBKUTWKVZPNS-HZPDHXFCSA-N 1 1 328.416 0.480 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC/C=C/CNc2ccnc(C#N)n2)C1 ZINC001107514117 758792758 /nfs/dbraw/zinc/79/27/58/758792758.db2.gz WJEAMVHSXFMGNH-ONEGZZNKSA-N 1 1 328.420 0.586 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1nc(Cl)c(C#N)s1 ZINC001105910007 762661443 /nfs/dbraw/zinc/66/14/43/762661443.db2.gz PQLPCSNNJVKXKP-VIFPVBQESA-N 1 1 345.856 0.899 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001049505472 758820171 /nfs/dbraw/zinc/82/01/71/758820171.db2.gz PEQHYJUMZKFEAC-IXDOHACOSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049507907 758825016 /nfs/dbraw/zinc/82/50/16/758825016.db2.gz NFWCJGPQHZKKLO-HUUCEWRRSA-N 1 1 341.477 0.663 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001049581720 758958491 /nfs/dbraw/zinc/95/84/91/758958491.db2.gz KCEZEKCQWQEOCY-CVEARBPZSA-N 1 1 344.415 0.202 20 30 ECEDMO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001049611313 758992417 /nfs/dbraw/zinc/99/24/17/758992417.db2.gz OMSKXWQVTXUGDP-RWBIUQBRSA-N 1 1 329.444 0.548 20 30 ECEDMO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049611313 758992423 /nfs/dbraw/zinc/99/24/23/758992423.db2.gz OMSKXWQVTXUGDP-RWBIUQBRSA-N 1 1 329.444 0.548 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(COC)no3)C2)c1 ZINC001022684841 758997122 /nfs/dbraw/zinc/99/71/22/758997122.db2.gz AATIHRZJLDFNFL-OKILXGFUSA-N 1 1 341.371 0.643 20 30 ECEDMO CO[C@H](C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC3CC3)C2)nn1 ZINC001098669576 759044229 /nfs/dbraw/zinc/04/42/29/759044229.db2.gz UTHOINCNHWXPBE-CZUORRHYSA-N 1 1 331.420 0.589 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)Cn2c[nH+]cc2C)c1 ZINC001077423143 759070396 /nfs/dbraw/zinc/07/03/96/759070396.db2.gz KPKSQCNMNAOUND-ZDUSSCGKSA-N 1 1 339.399 0.893 20 30 ECEDMO O=C(NC1CN(CC#Cc2ccccc2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001030346619 762690072 /nfs/dbraw/zinc/69/00/72/762690072.db2.gz DDNADILAHUDCPO-RBUKOAKNSA-N 1 1 339.439 0.702 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049721960 759132293 /nfs/dbraw/zinc/13/22/93/759132293.db2.gz HIQLBWJIMKXJTM-XUWVNRHRSA-N 1 1 333.432 0.321 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(CC)o3)C2)nn1 ZINC001022824443 759145537 /nfs/dbraw/zinc/14/55/37/759145537.db2.gz BOHCOIANZLQCFO-PHIMTYICSA-N 1 1 331.380 0.460 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(COC)no3)C2)nn1 ZINC001022824479 759145615 /nfs/dbraw/zinc/14/56/15/759145615.db2.gz CTIBEXNQLINNNX-PHIMTYICSA-N 1 1 347.379 0.044 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ncccn3)C2)nn1 ZINC001022824696 759147494 /nfs/dbraw/zinc/14/74/94/759147494.db2.gz LVEOJFKHQISCNG-UPJWGTAASA-N 1 1 327.392 0.866 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)NC1CC1 ZINC001049742482 759157654 /nfs/dbraw/zinc/15/76/54/759157654.db2.gz UGNVTVUAHOZCQF-NCOADZHNSA-N 1 1 347.459 0.921 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001049770796 759185252 /nfs/dbraw/zinc/18/52/52/759185252.db2.gz WPADBLSNBASQAP-GJZGRUSLSA-N 1 1 346.431 0.339 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(n2cnnn2)CCOCC1 ZINC001049780785 759197911 /nfs/dbraw/zinc/19/79/11/759197911.db2.gz JJOTZTYGUVXGKB-HUUCEWRRSA-N 1 1 346.435 0.430 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049786707 759205017 /nfs/dbraw/zinc/20/50/17/759205017.db2.gz DJQBCBOAMZJQTQ-LSDHHAIUSA-N 1 1 346.431 0.568 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2sccc2-n2cnnn2)[C@@H](O)C1 ZINC001083600696 759237318 /nfs/dbraw/zinc/23/73/18/759237318.db2.gz IOTAXDRLVNOJEH-YPMHNXCESA-N 1 1 348.432 0.465 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049811580 759244125 /nfs/dbraw/zinc/24/41/25/759244125.db2.gz KCOXFGJPFSAXQJ-GJZGRUSLSA-N 1 1 344.415 0.827 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cncn2)n1 ZINC001049818498 759252773 /nfs/dbraw/zinc/25/27/73/759252773.db2.gz RXOPTHDTLWBTCM-HOTGVXAUSA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049850947 759300463 /nfs/dbraw/zinc/30/04/63/759300463.db2.gz VCYGJWZORRPEMU-KGLIPLIRSA-N 1 1 342.403 0.673 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001049861917 759312195 /nfs/dbraw/zinc/31/21/95/759312195.db2.gz GBGPPCRYNYDLEY-FMKPAKJESA-N 1 1 341.477 0.710 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001049867615 759320020 /nfs/dbraw/zinc/32/00/20/759320020.db2.gz NZXNCKORURYLGW-IRXDYDNUSA-N 1 1 325.412 0.761 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001049867615 759320028 /nfs/dbraw/zinc/32/00/28/759320028.db2.gz NZXNCKORURYLGW-IRXDYDNUSA-N 1 1 325.412 0.761 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049886785 759350953 /nfs/dbraw/zinc/35/09/53/759350953.db2.gz URVUJODNDKXDFA-OLZOCXBDSA-N 1 1 329.404 0.831 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049888241 759352882 /nfs/dbraw/zinc/35/28/82/759352882.db2.gz ZZNYZFYYILTXFU-OLZOCXBDSA-N 1 1 327.388 0.278 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001049912706 759396347 /nfs/dbraw/zinc/39/63/47/759396347.db2.gz NOYJVIGENJMVEV-HRCADAONSA-N 1 1 327.432 0.847 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001047649896 759409636 /nfs/dbraw/zinc/40/96/36/759409636.db2.gz LUKZQMYTJPQUIB-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C(N)=O)ccn1 ZINC001049935733 759427683 /nfs/dbraw/zinc/42/76/83/759427683.db2.gz LJNGOXGUWKILIK-CVEARBPZSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@]3(CC[N@@H+](CCO)C3)C2)CC1 ZINC001054244936 767861231 /nfs/dbraw/zinc/86/12/31/767861231.db2.gz LLAMZTSVPDOQIA-IBGZPJMESA-N 1 1 333.476 0.638 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](CCO)C3)C2)CC1 ZINC001054244936 767861239 /nfs/dbraw/zinc/86/12/39/767861239.db2.gz LLAMZTSVPDOQIA-IBGZPJMESA-N 1 1 333.476 0.638 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cncc(C(N)=O)c3)C2)cc1 ZINC001032192756 759466873 /nfs/dbraw/zinc/46/68/73/759466873.db2.gz UBCCJBLSZYKZMG-UHFFFAOYSA-N 1 1 349.394 0.914 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCCN(C(=O)[C@H](C)C#N)[C@@H]3C2)n1 ZINC001049998676 759523935 /nfs/dbraw/zinc/52/39/35/759523935.db2.gz JVQROFZZJSFRES-UHOFOFEASA-N 1 1 330.436 0.977 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001077430330 759534588 /nfs/dbraw/zinc/53/45/88/759534588.db2.gz IDLQZPFJCMDECF-RRFJBIMHSA-N 1 1 333.436 0.276 20 30 ECEDMO C=C(Br)CN1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001032201556 759573295 /nfs/dbraw/zinc/57/32/95/759573295.db2.gz HYTFONGNXNIDNT-CYBMUJFWSA-N 1 1 346.269 0.664 20 30 ECEDMO C=C(Br)CN1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001032201556 759573300 /nfs/dbraw/zinc/57/33/00/759573300.db2.gz HYTFONGNXNIDNT-CYBMUJFWSA-N 1 1 346.269 0.664 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CN(C)CCO3)cc2C1 ZINC001054260347 767878684 /nfs/dbraw/zinc/87/86/84/767878684.db2.gz LASYUIVRUNUZDU-GOSISDBHSA-N 1 1 327.428 0.972 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC001050077551 759664399 /nfs/dbraw/zinc/66/43/99/759664399.db2.gz ZTPGWHKDGJVLTK-GOEBONIOSA-N 1 1 328.416 0.832 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050096897 759694920 /nfs/dbraw/zinc/69/49/20/759694920.db2.gz AUBGTUMXMZVVRX-UONOGXRCSA-N 1 1 340.493 0.938 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125111230 759712834 /nfs/dbraw/zinc/71/28/34/759712834.db2.gz SMQHUTPWLBACRM-CJNGLKHVSA-N 1 1 331.420 0.160 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)cc1 ZINC001050131261 759772351 /nfs/dbraw/zinc/77/23/51/759772351.db2.gz OLOSEXYMZPKKBP-GOEBONIOSA-N 1 1 342.399 0.497 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]Cc3nnn(C)n3)C2)cn1 ZINC001048035001 759864475 /nfs/dbraw/zinc/86/44/75/759864475.db2.gz QYTWJOYIDSIESV-TZMCWYRMSA-N 1 1 339.403 0.227 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC=C(CNC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001017364557 767896623 /nfs/dbraw/zinc/89/66/23/767896623.db2.gz ACQPHABXFFGDAR-OAHLLOKOSA-N 1 1 341.415 0.727 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)nc1 ZINC001050184515 759893972 /nfs/dbraw/zinc/89/39/72/759893972.db2.gz IWYHVLGGHFEVKR-BHYGNILZSA-N 1 1 338.411 0.488 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054291846 767900368 /nfs/dbraw/zinc/90/03/68/767900368.db2.gz GOYIHSUXIPKYBT-MRXNPFEDSA-N 1 1 347.440 0.333 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001050196819 759917353 /nfs/dbraw/zinc/91/73/53/759917353.db2.gz MSYOFXGIHJINRL-MELADBBJSA-N 1 1 334.420 0.474 20 30 ECEDMO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C)c1nnnn1C ZINC000995650602 759936398 /nfs/dbraw/zinc/93/63/98/759936398.db2.gz MFFJYMSJEXOJHX-ZWNOBZJWSA-N 1 1 342.407 0.611 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nncn4C3)[C@@H]2C1 ZINC001050207808 759943071 /nfs/dbraw/zinc/94/30/71/759943071.db2.gz JQKVHISFAKIREW-ARFHVFGLSA-N 1 1 327.432 0.787 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nncn4C3)[C@@H]2C1 ZINC001050208649 759944421 /nfs/dbraw/zinc/94/44/21/759944421.db2.gz UTNFEZJZDGZOQS-ARFHVFGLSA-N 1 1 327.432 0.787 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993015802 767906457 /nfs/dbraw/zinc/90/64/57/767906457.db2.gz PNFVCPQTBRJMRD-DOTOQJQBSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993015802 767906464 /nfs/dbraw/zinc/90/64/64/767906464.db2.gz PNFVCPQTBRJMRD-DOTOQJQBSA-N 1 1 338.415 0.694 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001012502853 760115116 /nfs/dbraw/zinc/11/51/16/760115116.db2.gz TWHARFGTOARAIC-NHYWBVRUSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1cc(=O)n2c(C)csc2n1 ZINC001127045436 760438508 /nfs/dbraw/zinc/43/85/08/760438508.db2.gz BBHCDKOUAZVCPO-LBPRGKRZSA-N 1 1 348.428 0.309 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001012649944 760487568 /nfs/dbraw/zinc/48/75/68/760487568.db2.gz UOYCZFVCNYGMDI-SMDDNHRTSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC001127052537 760499100 /nfs/dbraw/zinc/49/91/00/760499100.db2.gz ZWLWHIWLJRGGDN-CYBMUJFWSA-N 1 1 328.372 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cccn2C)C1=O ZINC001032285726 760516344 /nfs/dbraw/zinc/51/63/44/760516344.db2.gz OQHNSJBNOPHSRA-DZKIICNBSA-N 1 1 328.416 0.711 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cccn2C)C1=O ZINC001032285726 760516349 /nfs/dbraw/zinc/51/63/49/760516349.db2.gz OQHNSJBNOPHSRA-DZKIICNBSA-N 1 1 328.416 0.711 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001106225858 767970938 /nfs/dbraw/zinc/97/09/38/767970938.db2.gz JPHZLCCRQJLTSV-RBSFLKMASA-N 1 1 347.463 0.717 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001030025630 760725174 /nfs/dbraw/zinc/72/51/74/760725174.db2.gz FLCCMWMHGCYTPQ-BZUAXINKSA-N 1 1 334.464 0.448 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)cc1 ZINC001017431217 767976241 /nfs/dbraw/zinc/97/62/41/767976241.db2.gz BEIQJBMMGOTEOF-GASCZTMLSA-N 1 1 342.399 0.640 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)cc1 ZINC001017431217 767976248 /nfs/dbraw/zinc/97/62/48/767976248.db2.gz BEIQJBMMGOTEOF-GASCZTMLSA-N 1 1 342.399 0.640 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)nn1 ZINC001048572567 760735168 /nfs/dbraw/zinc/73/51/68/760735168.db2.gz MSHBCTLMYKJQOZ-FQUUOJAGSA-N 1 1 346.435 0.311 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1c1nccnc1C#N ZINC001048586990 760759065 /nfs/dbraw/zinc/75/90/65/760759065.db2.gz GUFIRMOQQNNZES-NWANDNLSSA-N 1 1 328.420 0.916 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C ZINC001050801461 760879715 /nfs/dbraw/zinc/87/97/15/760879715.db2.gz MJNIWVBESNVYGV-OCCSQVGLSA-N 1 1 325.376 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C(C)C)no2)C1 ZINC000991432645 760925483 /nfs/dbraw/zinc/92/54/83/760925483.db2.gz FKWLSVXCFYHLAD-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C(C)C)no2)C1 ZINC000991432645 760925487 /nfs/dbraw/zinc/92/54/87/760925487.db2.gz FKWLSVXCFYHLAD-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ncoc4C)C[C@H]3C2)C1=O ZINC001048710642 760994518 /nfs/dbraw/zinc/99/45/18/760994518.db2.gz KJWKUXUGNBZFEF-ZNMIVQPWSA-N 1 1 344.415 0.774 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCOC4)C[C@H]3C2)C1=O ZINC001048712731 761001130 /nfs/dbraw/zinc/00/11/30/761001130.db2.gz DTDXTIRMKWEVBO-LVQVYYBASA-N 1 1 333.432 0.200 20 30 ECEDMO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048724768 761045896 /nfs/dbraw/zinc/04/58/96/761045896.db2.gz GHIWHFDZZNDQRL-XUWVNRHRSA-N 1 1 332.448 0.937 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 ZINC000991471863 761096823 /nfs/dbraw/zinc/09/68/23/761096823.db2.gz LICWPLBAXJAHRK-SWLSCSKDSA-N 1 1 339.827 0.448 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 ZINC000991471863 761096833 /nfs/dbraw/zinc/09/68/33/761096833.db2.gz LICWPLBAXJAHRK-SWLSCSKDSA-N 1 1 339.827 0.448 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@H]3C2)[nH]1 ZINC001048763793 761134246 /nfs/dbraw/zinc/13/42/46/761134246.db2.gz FRONWHUHZPOVJA-OKILXGFUSA-N 1 1 341.415 0.513 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nc1 ZINC000991481760 761151006 /nfs/dbraw/zinc/15/10/06/761151006.db2.gz YNDAHZBDQVWPAK-QGZVFWFLSA-N 1 1 340.427 0.876 20 30 ECEDMO CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001050953938 761212453 /nfs/dbraw/zinc/21/24/53/761212453.db2.gz PCEXTVIRPXHXHQ-ZWKOTPCHSA-N 1 1 349.475 0.470 20 30 ECEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cnn(C)c1)C2 ZINC001111525300 761231066 /nfs/dbraw/zinc/23/10/66/761231066.db2.gz UZHXFQYXCLSSEO-SVGFKBNWSA-N 1 1 330.432 0.895 20 30 ECEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cnn(C)c1)C2 ZINC001111525300 761231071 /nfs/dbraw/zinc/23/10/71/761231071.db2.gz UZHXFQYXCLSSEO-SVGFKBNWSA-N 1 1 330.432 0.895 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1[C@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]12 ZINC001013315494 761300671 /nfs/dbraw/zinc/30/06/71/761300671.db2.gz CYMGLRUBXNDKDC-DJGNLUHRSA-N 1 1 327.428 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1[C@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]12 ZINC001013315494 761300679 /nfs/dbraw/zinc/30/06/79/761300679.db2.gz CYMGLRUBXNDKDC-DJGNLUHRSA-N 1 1 327.428 0.623 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)c1 ZINC001051000997 761309801 /nfs/dbraw/zinc/30/98/01/761309801.db2.gz NHRFZASQLRCQOG-MRXNPFEDSA-N 1 1 349.431 0.501 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)c1 ZINC001051000997 761309811 /nfs/dbraw/zinc/30/98/11/761309811.db2.gz NHRFZASQLRCQOG-MRXNPFEDSA-N 1 1 349.431 0.501 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1OC ZINC001212149850 761311061 /nfs/dbraw/zinc/31/10/61/761311061.db2.gz IXABYOXOBNSPDJ-HZPDHXFCSA-N 1 1 347.459 0.522 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)c[nH]1 ZINC000991529522 761396623 /nfs/dbraw/zinc/39/66/23/761396623.db2.gz WTMLDUSRRZVJFU-BBRMVZONSA-N 1 1 341.415 0.701 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001051056008 761406947 /nfs/dbraw/zinc/40/69/47/761406947.db2.gz GUTSCOHGEWUECO-CQSZACIVSA-N 1 1 334.420 0.404 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001051056008 761406949 /nfs/dbraw/zinc/40/69/49/761406949.db2.gz GUTSCOHGEWUECO-CQSZACIVSA-N 1 1 334.420 0.404 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CNC(=O)[C@H](C)CC)CC2)C1 ZINC001105733868 761408779 /nfs/dbraw/zinc/40/87/79/761408779.db2.gz OCVAOZBHQVIWAG-OAHLLOKOSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1nc(C#N)c(Cl)s1 ZINC001105756152 761535694 /nfs/dbraw/zinc/53/56/94/761535694.db2.gz PYGALERKMBZUOK-PSASIEDQSA-N 1 1 343.840 0.651 20 30 ECEDMO C=CCCOCCCCC(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001127124683 761585252 /nfs/dbraw/zinc/58/52/52/761585252.db2.gz JOVPZHVFICTOIP-UHFFFAOYSA-N 1 1 336.440 0.977 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1c1ccc(C#N)nn1 ZINC001051230404 761726511 /nfs/dbraw/zinc/72/65/11/761726511.db2.gz JEVKTQDEMSIECE-VHDGCEQUSA-N 1 1 328.420 0.916 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001060288539 761825326 /nfs/dbraw/zinc/82/53/26/761825326.db2.gz AXNMLZIDXQKSBG-CABCVRRESA-N 1 1 336.436 0.223 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C)nn1 ZINC001054606004 768075906 /nfs/dbraw/zinc/07/59/06/768075906.db2.gz UWAGLLKUULIILR-NHYWBVRUSA-N 1 1 327.392 0.748 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)ccc1C#N ZINC001105914603 762711224 /nfs/dbraw/zinc/71/12/24/762711224.db2.gz YSMVHQQNFUFKEN-HIFRSBDPSA-N 1 1 331.420 0.493 20 30 ECEDMO C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC000991687049 762732713 /nfs/dbraw/zinc/73/27/13/762732713.db2.gz JCCQLZQMCKWVSM-DZGCQCFKSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2CCC)C1 ZINC001051755241 762885949 /nfs/dbraw/zinc/88/59/49/762885949.db2.gz GRFQRAZFXIUCFX-CYBMUJFWSA-N 1 1 336.440 0.612 20 30 ECEDMO Cc1ccc(C#N)c(NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001106293052 768090401 /nfs/dbraw/zinc/09/04/01/768090401.db2.gz AEIYGUKYVISMFE-DZGCQCFKSA-N 1 1 331.420 0.899 20 30 ECEDMO Cc1ccc(C#N)c(NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001106293052 768090409 /nfs/dbraw/zinc/09/04/09/768090409.db2.gz AEIYGUKYVISMFE-DZGCQCFKSA-N 1 1 331.420 0.899 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051804171 763002629 /nfs/dbraw/zinc/00/26/29/763002629.db2.gz WZRJQXCVFNQVOO-LRDDRELGSA-N 1 1 337.424 0.028 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1cn(CC)nn1 ZINC001089842139 763125174 /nfs/dbraw/zinc/12/51/74/763125174.db2.gz IJVMKGCRFBAMKO-ORQFMDKSSA-N 1 1 327.432 0.643 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(OC)nc2)C1 ZINC001014770077 763125287 /nfs/dbraw/zinc/12/52/87/763125287.db2.gz NQIDTRUAAHNCJR-SJORKVTESA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(OC)nc2)C1 ZINC001014770077 763125293 /nfs/dbraw/zinc/12/52/93/763125293.db2.gz NQIDTRUAAHNCJR-SJORKVTESA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cnc(C)nc2)C1 ZINC001014780933 763141725 /nfs/dbraw/zinc/14/17/25/763141725.db2.gz YJDGAVMLFCLJDD-SJORKVTESA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cnc(C)nc2)C1 ZINC001014780933 763141730 /nfs/dbraw/zinc/14/17/30/763141730.db2.gz YJDGAVMLFCLJDD-SJORKVTESA-N 1 1 327.432 0.573 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C)n1 ZINC001089847583 763156564 /nfs/dbraw/zinc/15/65/64/763156564.db2.gz VTFTZXKWVLFMKU-XGUBFFRZSA-N 1 1 330.436 0.959 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN([C@@H](CC)C(N)=O)C2)CC1 ZINC001046849180 763227226 /nfs/dbraw/zinc/22/72/26/763227226.db2.gz CCQMBZQLCWUADR-YJBOKZPZSA-N 1 1 334.464 0.176 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001046874700 763280265 /nfs/dbraw/zinc/28/02/65/763280265.db2.gz AYLGCLVOLKBKPL-CXAGYDPISA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001046874700 763280275 /nfs/dbraw/zinc/28/02/75/763280275.db2.gz AYLGCLVOLKBKPL-CXAGYDPISA-N 1 1 331.420 0.699 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)c1 ZINC001014858445 763316572 /nfs/dbraw/zinc/31/65/72/763316572.db2.gz CCXIDRNCEGGLEK-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001046930871 763408952 /nfs/dbraw/zinc/40/89/52/763408952.db2.gz KTYZWNUHNQCTJJ-ZIAGYGMSSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001046930868 763408980 /nfs/dbraw/zinc/40/89/80/763408980.db2.gz KTYZWNUHNQCTJJ-KBPBESRZSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCO[C@@H](C[NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001051944302 763412775 /nfs/dbraw/zinc/41/27/75/763412775.db2.gz UVFABYSCJIXZRW-AEFFLSMTSA-N 1 1 349.475 0.185 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001046933572 763413082 /nfs/dbraw/zinc/41/30/82/763413082.db2.gz GBFAFNVEYZKMJD-LBPRGKRZSA-N 1 1 341.362 0.245 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001046933572 763413091 /nfs/dbraw/zinc/41/30/91/763413091.db2.gz GBFAFNVEYZKMJD-LBPRGKRZSA-N 1 1 341.362 0.245 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccnc(N(C)C)c2)C1 ZINC001030462166 763435475 /nfs/dbraw/zinc/43/54/75/763435475.db2.gz JZOCOWDMCYPRGV-KRWDZBQOSA-N 1 1 341.459 0.546 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccnc(N(C)C)c2)C1 ZINC001030462166 763435481 /nfs/dbraw/zinc/43/54/81/763435481.db2.gz JZOCOWDMCYPRGV-KRWDZBQOSA-N 1 1 341.459 0.546 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCOC)CCC1(F)F ZINC001046947698 763439222 /nfs/dbraw/zinc/43/92/22/763439222.db2.gz WFGPQOVVPXUTSL-GJZGRUSLSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001046952996 763452125 /nfs/dbraw/zinc/45/21/25/763452125.db2.gz CNLYALVKGMLJIK-LSDHHAIUSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC001046953111 763452145 /nfs/dbraw/zinc/45/21/45/763452145.db2.gz AMUDKLAVMQXPSR-GFCCVEGCSA-N 1 1 338.358 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC001046953111 763452154 /nfs/dbraw/zinc/45/21/54/763452154.db2.gz AMUDKLAVMQXPSR-GFCCVEGCSA-N 1 1 338.358 0.986 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CCn2nc(C)cc2C)C1 ZINC001030463994 763454367 /nfs/dbraw/zinc/45/43/67/763454367.db2.gz CNJURJQITPRMQJ-KRWDZBQOSA-N 1 1 329.448 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCn2nc(C)cc2C)C1 ZINC001030463994 763454372 /nfs/dbraw/zinc/45/43/72/763454372.db2.gz CNJURJQITPRMQJ-KRWDZBQOSA-N 1 1 329.448 0.398 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C[C@@H](O)c2ccccc2F)C1 ZINC001030463838 763454408 /nfs/dbraw/zinc/45/44/08/763454408.db2.gz XEDHFOFUXOEPHS-ZWKOTPCHSA-N 1 1 345.418 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C[C@@H](O)c2ccccc2F)C1 ZINC001030463838 763454413 /nfs/dbraw/zinc/45/44/13/763454413.db2.gz XEDHFOFUXOEPHS-ZWKOTPCHSA-N 1 1 345.418 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C[C@@H](O)Cc2ccccc2)C1 ZINC001030464234 763455979 /nfs/dbraw/zinc/45/59/79/763455979.db2.gz LRRBCGHFFRZKLJ-OALUTQOASA-N 1 1 341.455 0.488 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C[C@@H](O)Cc2ccccc2)C1 ZINC001030464234 763455984 /nfs/dbraw/zinc/45/59/84/763455984.db2.gz LRRBCGHFFRZKLJ-OALUTQOASA-N 1 1 341.455 0.488 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001046961369 763468934 /nfs/dbraw/zinc/46/89/34/763468934.db2.gz WHOBAGBYGOFWHC-UONOGXRCSA-N 1 1 341.402 0.999 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046969456 763487637 /nfs/dbraw/zinc/48/76/37/763487637.db2.gz BSTJNHABDGKTIK-RWMBFGLXSA-N 1 1 343.374 0.116 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046969456 763487641 /nfs/dbraw/zinc/48/76/41/763487641.db2.gz BSTJNHABDGKTIK-RWMBFGLXSA-N 1 1 343.374 0.116 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046981857 763504575 /nfs/dbraw/zinc/50/45/75/763504575.db2.gz HQDDTRFESFQCPS-LLVKDONJSA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001046981857 763504578 /nfs/dbraw/zinc/50/45/78/763504578.db2.gz HQDDTRFESFQCPS-LLVKDONJSA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001046987903 763519495 /nfs/dbraw/zinc/51/94/95/763519495.db2.gz YFPFWUJEESBZQR-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001046987903 763519500 /nfs/dbraw/zinc/51/95/00/763519500.db2.gz YFPFWUJEESBZQR-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CCC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)CC1 ZINC001051987555 763522153 /nfs/dbraw/zinc/52/21/53/763522153.db2.gz QFJHKBSCKQROCA-INIZCTEOSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001046995798 763536273 /nfs/dbraw/zinc/53/62/73/763536273.db2.gz LGDIXOKLGPJXGN-LLVKDONJSA-N 1 1 336.342 0.501 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001046995798 763536281 /nfs/dbraw/zinc/53/62/81/763536281.db2.gz LGDIXOKLGPJXGN-LLVKDONJSA-N 1 1 336.342 0.501 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)CC1 ZINC001052013175 763585538 /nfs/dbraw/zinc/58/55/38/763585538.db2.gz SFTJOBZOPQPQNA-CVEARBPZSA-N 1 1 333.432 0.181 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC2CC2)C3)[nH]1 ZINC001047054825 763600761 /nfs/dbraw/zinc/60/07/61/763600761.db2.gz FSXCWOYNBLRVMV-CQDKDKBSSA-N 1 1 341.415 0.748 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2ccncc2C#N)C1 ZINC001106004077 763610535 /nfs/dbraw/zinc/61/05/35/763610535.db2.gz LMHDGDSWJHHHRK-ZBFHGGJFSA-N 1 1 345.447 0.242 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)CC1 ZINC001052025475 763616022 /nfs/dbraw/zinc/61/60/22/763616022.db2.gz FOJOKXLRIPGFHU-DLBZAZTESA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052029923 763628348 /nfs/dbraw/zinc/62/83/48/763628348.db2.gz FIZAECYFJGNYFR-FGTMMUONSA-N 1 1 332.492 0.568 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052029923 763628351 /nfs/dbraw/zinc/62/83/51/763628351.db2.gz FIZAECYFJGNYFR-FGTMMUONSA-N 1 1 332.492 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncnc2CC)C1 ZINC000991803092 763632397 /nfs/dbraw/zinc/63/23/97/763632397.db2.gz RXZITTMXPAXHHV-INIZCTEOSA-N 1 1 341.415 0.077 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncnc2CC)C1 ZINC000991803092 763632406 /nfs/dbraw/zinc/63/24/06/763632406.db2.gz RXZITTMXPAXHHV-INIZCTEOSA-N 1 1 341.415 0.077 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033324 763636779 /nfs/dbraw/zinc/63/67/79/763636779.db2.gz OYDZZTVAPLKATK-IAGOWNOFSA-N 1 1 348.491 0.648 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033324 763636786 /nfs/dbraw/zinc/63/67/86/763636786.db2.gz OYDZZTVAPLKATK-IAGOWNOFSA-N 1 1 348.491 0.648 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCn3ccccc3=O)C2)CC1 ZINC001052035850 763644822 /nfs/dbraw/zinc/64/48/22/763644822.db2.gz RRIAKECMHGOUDL-KRWDZBQOSA-N 1 1 344.459 0.643 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCn3ccccc3=O)C2)CC1 ZINC001052035850 763644828 /nfs/dbraw/zinc/64/48/28/763644828.db2.gz RRIAKECMHGOUDL-KRWDZBQOSA-N 1 1 344.459 0.643 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4n3CCOC4)C2)CC1 ZINC001052041651 763668333 /nfs/dbraw/zinc/66/83/33/763668333.db2.gz OCAXENCXMYDOOK-HNNXBMFYSA-N 1 1 345.447 0.431 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001052043488 763674714 /nfs/dbraw/zinc/67/47/14/763674714.db2.gz ACKHFJUSWBZWCY-KBPBESRZSA-N 1 1 340.493 0.796 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052043479 763674970 /nfs/dbraw/zinc/67/49/70/763674970.db2.gz ZIMNDJWIGFDVBP-YJBOKZPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052043479 763674971 /nfs/dbraw/zinc/67/49/71/763674971.db2.gz ZIMNDJWIGFDVBP-YJBOKZPZSA-N 1 1 334.464 0.307 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCn4nccc43)C2)CC1 ZINC001052044000 763676739 /nfs/dbraw/zinc/67/67/39/763676739.db2.gz AFJXSOSNDPFLAB-HZPDHXFCSA-N 1 1 342.447 0.503 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)nc3COC)C2)CC1 ZINC001052044686 763679962 /nfs/dbraw/zinc/67/99/62/763679962.db2.gz JLIUBDFWAIPBRG-OAHLLOKOSA-N 1 1 347.463 0.585 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045724 763684532 /nfs/dbraw/zinc/68/45/32/763684532.db2.gz WWUHAYRYJVGPOX-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045724 763684534 /nfs/dbraw/zinc/68/45/34/763684534.db2.gz WWUHAYRYJVGPOX-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001052046390 763687575 /nfs/dbraw/zinc/68/75/75/763687575.db2.gz ZZHCFDIIIRXOFA-UONOGXRCSA-N 1 1 340.493 0.796 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)CC1 ZINC001052046680 763688399 /nfs/dbraw/zinc/68/83/99/763688399.db2.gz BSGBIDMTTQCYLC-HOTGVXAUSA-N 1 1 349.479 0.182 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)CC1 ZINC001052046680 763688404 /nfs/dbraw/zinc/68/84/04/763688404.db2.gz BSGBIDMTTQCYLC-HOTGVXAUSA-N 1 1 349.479 0.182 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]nc3C(C)C)C2)CC1 ZINC001052048117 763693759 /nfs/dbraw/zinc/69/37/59/763693759.db2.gz LKRDFTPIYGJNLZ-OAHLLOKOSA-N 1 1 329.448 0.998 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C2)CC1 ZINC001052048319 763695007 /nfs/dbraw/zinc/69/50/07/763695007.db2.gz QFFHKYLHJQDCPD-HNNXBMFYSA-N 1 1 341.459 0.754 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4ccccn34)C2)CC1 ZINC001052048381 763695655 /nfs/dbraw/zinc/69/56/55/763695655.db2.gz RRQDRKYDXDGAGM-INIZCTEOSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn4cccnc4n3)C2)CC1 ZINC001052048548 763696831 /nfs/dbraw/zinc/69/68/31/763696831.db2.gz XGRHXPNDNOQBNO-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO Cc1cc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n(C)n1 ZINC001052048687 763697297 /nfs/dbraw/zinc/69/72/97/763697297.db2.gz BDVYRDLMBHZTIU-HNNXBMFYSA-N 1 1 330.436 0.013 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001052050150 763704777 /nfs/dbraw/zinc/70/47/77/763704777.db2.gz JCKGOAOZDIYJGN-KBPBESRZSA-N 1 1 340.493 0.794 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 ZINC001106012046 763706625 /nfs/dbraw/zinc/70/66/25/763706625.db2.gz ZJOMSVCLALIBHQ-AWEZNQCLSA-N 1 1 333.436 0.881 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C2)CC1 ZINC001052050714 763708363 /nfs/dbraw/zinc/70/83/63/763708363.db2.gz YECJHVVKXWXAIT-ZDUSSCGKSA-N 1 1 341.419 0.371 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C2)CC1 ZINC001052050714 763708370 /nfs/dbraw/zinc/70/83/70/763708370.db2.gz YECJHVVKXWXAIT-ZDUSSCGKSA-N 1 1 341.419 0.371 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052051628 763711651 /nfs/dbraw/zinc/71/16/51/763711651.db2.gz BTJZCEPGYPFCLX-QGZVFWFLSA-N 1 1 342.443 0.572 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)CC1 ZINC001052054775 763722006 /nfs/dbraw/zinc/72/20/06/763722006.db2.gz CRXONUZJUNKROP-DLBZAZTESA-N 1 1 347.463 0.512 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cc1F ZINC001015041279 763731781 /nfs/dbraw/zinc/73/17/81/763731781.db2.gz DJCBCRORRCNNOS-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cc1F ZINC001015041279 763731790 /nfs/dbraw/zinc/73/17/90/763731790.db2.gz DJCBCRORRCNNOS-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccccn3)C2)CC1 ZINC001052060639 763740935 /nfs/dbraw/zinc/74/09/35/763740935.db2.gz ISGRPXCSMHLZJA-QGZVFWFLSA-N 1 1 327.432 0.756 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)CC1 ZINC001052060532 763741887 /nfs/dbraw/zinc/74/18/87/763741887.db2.gz GPQAXSFSOZKZDA-OAHLLOKOSA-N 1 1 343.431 0.264 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]nc3CCC)C2)C1=O ZINC001015052440 763758364 /nfs/dbraw/zinc/75/83/64/763758364.db2.gz LFBLQBIUMQAECT-CZUORRHYSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]nc3CCC)C2)C1=O ZINC001015052440 763758368 /nfs/dbraw/zinc/75/83/68/763758368.db2.gz LFBLQBIUMQAECT-CZUORRHYSA-N 1 1 345.447 0.953 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3ccc(C#N)c(F)c3)C2)O1 ZINC001030515635 763761670 /nfs/dbraw/zinc/76/16/70/763761670.db2.gz DTNJOUDEIYBIRP-SJKOYZFVSA-N 1 1 346.406 0.717 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3ccc(C#N)c(F)c3)C2)O1 ZINC001030515635 763761676 /nfs/dbraw/zinc/76/16/76/763761676.db2.gz DTNJOUDEIYBIRP-SJKOYZFVSA-N 1 1 346.406 0.717 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069379 763766059 /nfs/dbraw/zinc/76/60/59/763766059.db2.gz ZFQDLATWHBFCHE-YJBOKZPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069379 763766065 /nfs/dbraw/zinc/76/60/65/763766065.db2.gz ZFQDLATWHBFCHE-YJBOKZPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C[C@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)c1cncnc1 ZINC001052071058 763770688 /nfs/dbraw/zinc/77/06/88/763770688.db2.gz OXVKSLKGPDHSOZ-HOCLYGCPSA-N 1 1 328.420 0.322 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)COc3cnn(C)c3)C2)CC1 ZINC001052071753 763773309 /nfs/dbraw/zinc/77/33/09/763773309.db2.gz YTOLMRVIZRVFLT-HNNXBMFYSA-N 1 1 333.436 0.203 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)COc3cnn(C)c3)C2)CC1 ZINC001052071753 763773317 /nfs/dbraw/zinc/77/33/17/763773317.db2.gz YTOLMRVIZRVFLT-HNNXBMFYSA-N 1 1 333.436 0.203 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001047233750 763822063 /nfs/dbraw/zinc/82/20/63/763822063.db2.gz FFQXWJJCJQJVAM-GZBFAFLISA-N 1 1 344.419 0.376 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001047233750 763822069 /nfs/dbraw/zinc/82/20/69/763822069.db2.gz FFQXWJJCJQJVAM-GZBFAFLISA-N 1 1 344.419 0.376 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C2)CC1 ZINC001052090257 763827403 /nfs/dbraw/zinc/82/74/03/763827403.db2.gz ZUDUFEMHEIUMDT-QGZVFWFLSA-N 1 1 342.443 0.008 20 30 ECEDMO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052098968 763855631 /nfs/dbraw/zinc/85/56/31/763855631.db2.gz SEIKWTGEDUYYHV-XJKSGUPXSA-N 1 1 344.463 0.872 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052105309 763875698 /nfs/dbraw/zinc/87/56/98/763875698.db2.gz HVVJZMIJRBTVNR-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(CC4CC4)c3)C2)CC1 ZINC001052105993 763878791 /nfs/dbraw/zinc/87/87/91/763878791.db2.gz YHYHZCPZWHXDFM-GOSISDBHSA-N 1 1 341.459 0.758 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)CC1 ZINC001052106134 763880169 /nfs/dbraw/zinc/88/01/69/763880169.db2.gz CQMNHCBATIAESJ-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)CC1 ZINC001052106134 763880176 /nfs/dbraw/zinc/88/01/76/763880176.db2.gz CQMNHCBATIAESJ-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106234 763880504 /nfs/dbraw/zinc/88/05/04/763880504.db2.gz GDQDTWOXBKWJCE-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3conc3COC)C2)CC1 ZINC001052109142 763895037 /nfs/dbraw/zinc/89/50/37/763895037.db2.gz XELGLFHNQXUJTP-OAHLLOKOSA-N 1 1 346.431 0.676 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ncccc2C#N)C1 ZINC001106344887 768173431 /nfs/dbraw/zinc/17/34/31/768173431.db2.gz RHKOLJXBQFPADR-UKRRQHHQSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ncccc2C#N)C1 ZINC001106344887 768173436 /nfs/dbraw/zinc/17/34/36/768173436.db2.gz RHKOLJXBQFPADR-UKRRQHHQSA-N 1 1 331.420 0.981 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4cc[nH]c34)C2)CC1 ZINC001052111902 763905266 /nfs/dbraw/zinc/90/52/66/763905266.db2.gz GUYUIVWXAYJNAX-AWEZNQCLSA-N 1 1 328.420 0.681 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4cc[nH]c34)C2)CC1 ZINC001052111902 763905269 /nfs/dbraw/zinc/90/52/69/763905269.db2.gz GUYUIVWXAYJNAX-AWEZNQCLSA-N 1 1 328.420 0.681 20 30 ECEDMO C=C(Cl)CN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117078 763926940 /nfs/dbraw/zinc/92/69/40/763926940.db2.gz FSMOXGQLKRUJRS-HZPDHXFCSA-N 1 1 340.899 0.909 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cnn(C)c3)C2)CC1 ZINC001052118279 763931748 /nfs/dbraw/zinc/93/17/48/763931748.db2.gz BIHHHRQRXGGOGP-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3cnn(C)c3)C2)CC1 ZINC001052118279 763931753 /nfs/dbraw/zinc/93/17/53/763931753.db2.gz BIHHHRQRXGGOGP-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088863421 763935032 /nfs/dbraw/zinc/93/50/32/763935032.db2.gz DIYPUQICZQHLMO-QQUHWDOBSA-N 1 1 332.429 0.820 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088863421 763935037 /nfs/dbraw/zinc/93/50/37/763935037.db2.gz DIYPUQICZQHLMO-QQUHWDOBSA-N 1 1 332.429 0.820 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCS1(=O)=O ZINC001017600771 768176273 /nfs/dbraw/zinc/17/62/73/768176273.db2.gz ROPOZTCXKXEUJL-OKILXGFUSA-N 1 1 327.450 0.273 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc(C)n3)C2)CC1 ZINC001052119708 763936882 /nfs/dbraw/zinc/93/68/82/763936882.db2.gz UUVYDAZAJVUPNZ-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC34CCOCC4)C2)CC1 ZINC001052131524 763962474 /nfs/dbraw/zinc/96/24/74/763962474.db2.gz SHLSPZJKUGKILB-HZPDHXFCSA-N 1 1 332.448 0.545 20 30 ECEDMO C=CCCC(=O)N1C[C@H](C)[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001052181508 764018071 /nfs/dbraw/zinc/01/80/71/764018071.db2.gz NBJBOOBVSCEAEN-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO Cc1cncc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001047353185 764087748 /nfs/dbraw/zinc/08/77/48/764087748.db2.gz CNVCEPRSGFAXSL-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1cncc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001047353185 764087754 /nfs/dbraw/zinc/08/77/54/764087754.db2.gz CNVCEPRSGFAXSL-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnns3)CC2)C1=O ZINC001052232796 764101751 /nfs/dbraw/zinc/10/17/51/764101751.db2.gz PNORUSBIMNEKLO-QWHCGFSZSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(C)=C3CCC3)C2)C1=O ZINC001047377323 764160436 /nfs/dbraw/zinc/16/04/36/764160436.db2.gz AFYHEEVXEYGQEK-ULQDDVLXSA-N 1 1 347.459 0.777 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(C)=C3CCC3)C2)C1=O ZINC001047377323 764160441 /nfs/dbraw/zinc/16/04/41/764160441.db2.gz AFYHEEVXEYGQEK-ULQDDVLXSA-N 1 1 347.459 0.777 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001047379768 764166956 /nfs/dbraw/zinc/16/69/56/764166956.db2.gz MKCOPWRTVPSEQL-HOTGVXAUSA-N 1 1 334.420 0.538 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001047379768 764166960 /nfs/dbraw/zinc/16/69/60/764166960.db2.gz MKCOPWRTVPSEQL-HOTGVXAUSA-N 1 1 334.420 0.538 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nn(C)c3ccccc23)C1 ZINC001047380024 764168713 /nfs/dbraw/zinc/16/87/13/764168713.db2.gz VWVDWMHVHCAVDS-IRXDYDNUSA-N 1 1 328.416 0.805 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001047380003 764169038 /nfs/dbraw/zinc/16/90/38/764169038.db2.gz UXUWCUUKMKGNNN-XIRDDKMYSA-N 1 1 346.431 0.293 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cn[nH]n1 ZINC001089866828 764169919 /nfs/dbraw/zinc/16/99/19/764169919.db2.gz FNZRWBVABBTCEE-ORQFMDKSSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]nn1 ZINC001089866828 764169924 /nfs/dbraw/zinc/16/99/24/764169924.db2.gz FNZRWBVABBTCEE-ORQFMDKSSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1c[nH]nn1 ZINC001089866828 764169930 /nfs/dbraw/zinc/16/99/30/764169930.db2.gz FNZRWBVABBTCEE-ORQFMDKSSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn[nH]1 ZINC001089866828 764169934 /nfs/dbraw/zinc/16/99/34/764169934.db2.gz FNZRWBVABBTCEE-ORQFMDKSSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn[nH]1 ZINC001089866828 764169940 /nfs/dbraw/zinc/16/99/40/764169940.db2.gz FNZRWBVABBTCEE-ORQFMDKSSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001047382080 764173363 /nfs/dbraw/zinc/17/33/63/764173363.db2.gz VWFRLCXRANOFHT-NJAFHUGGSA-N 1 1 333.476 0.778 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001047384489 764178662 /nfs/dbraw/zinc/17/86/62/764178662.db2.gz TZAVAEAMHDFAEP-QZWWFDLISA-N 1 1 329.400 0.296 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001047384489 764178666 /nfs/dbraw/zinc/17/86/66/764178666.db2.gz TZAVAEAMHDFAEP-QZWWFDLISA-N 1 1 329.400 0.296 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289877 764200196 /nfs/dbraw/zinc/20/01/96/764200196.db2.gz GFJIVMFEKNUOEL-TZMCWYRMSA-N 1 1 331.420 0.947 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001047395023 764203894 /nfs/dbraw/zinc/20/38/94/764203894.db2.gz XBTRGRJMBHATCH-HOTGVXAUSA-N 1 1 327.384 0.322 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001047395496 764205205 /nfs/dbraw/zinc/20/52/05/764205205.db2.gz IZDOLQPXCGRARV-STQMWFEESA-N 1 1 326.347 0.266 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001047395496 764205211 /nfs/dbraw/zinc/20/52/11/764205211.db2.gz IZDOLQPXCGRARV-STQMWFEESA-N 1 1 326.347 0.266 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001047396805 764209294 /nfs/dbraw/zinc/20/92/94/764209294.db2.gz SJZMFOKFMBBCMO-HOTGVXAUSA-N 1 1 340.383 0.064 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001047396805 764209297 /nfs/dbraw/zinc/20/92/97/764209297.db2.gz SJZMFOKFMBBCMO-HOTGVXAUSA-N 1 1 340.383 0.064 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001047397204 764210877 /nfs/dbraw/zinc/21/08/77/764210877.db2.gz OLXLJMKAVAACGC-PMPSAXMXSA-N 1 1 344.411 0.743 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001047397204 764210882 /nfs/dbraw/zinc/21/08/82/764210882.db2.gz OLXLJMKAVAACGC-PMPSAXMXSA-N 1 1 344.411 0.743 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC001052318634 764242172 /nfs/dbraw/zinc/24/21/72/764242172.db2.gz CGVYOTKMHHRRFH-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)c[nH]1 ZINC001052319126 764242237 /nfs/dbraw/zinc/24/22/37/764242237.db2.gz RYZZSRHTOVRJOV-JSGCOSHPSA-N 1 1 343.387 0.276 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001047410346 764258753 /nfs/dbraw/zinc/25/87/53/764258753.db2.gz ICRUCSSMQAAPPO-ULQDDVLXSA-N 1 1 343.427 0.593 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001047412931 764265013 /nfs/dbraw/zinc/26/50/13/764265013.db2.gz PNJHRUDLJUNTBM-TXPKVOOTSA-N 1 1 349.475 0.763 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)c2cnn(C)n2)C1 ZINC000995268107 764266872 /nfs/dbraw/zinc/26/68/72/764266872.db2.gz NDEFIQIVRJRDHM-MRXNPFEDSA-N 1 1 338.415 0.808 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001047414641 764271885 /nfs/dbraw/zinc/27/18/85/764271885.db2.gz PVNUJEIOARHIRD-GJZGRUSLSA-N 1 1 343.383 0.158 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001047414936 764273841 /nfs/dbraw/zinc/27/38/41/764273841.db2.gz XPWVLSIOSCFZCY-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CNC(=O)N2)C1 ZINC000995271563 764280389 /nfs/dbraw/zinc/28/03/89/764280389.db2.gz GTHLCFQQLAQKLU-HZPDHXFCSA-N 1 1 341.415 0.047 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001047418620 764283285 /nfs/dbraw/zinc/28/32/85/764283285.db2.gz XQDDGDLMNCOREZ-STQMWFEESA-N 1 1 344.337 0.586 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001060395194 764295326 /nfs/dbraw/zinc/29/53/26/764295326.db2.gz UZDWAXFOEHNFDL-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2-n2ccnn2)C1 ZINC001047422284 764297261 /nfs/dbraw/zinc/29/72/61/764297261.db2.gz KATMYAZABVVMDJ-KBPBESRZSA-N 1 1 345.428 0.469 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C3CC3)nn2CC)C1 ZINC001047422320 764297868 /nfs/dbraw/zinc/29/78/68/764297868.db2.gz MUFMWNZBVYHGFX-IRXDYDNUSA-N 1 1 330.432 0.921 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C3CC3)nn2CC)C1 ZINC001047422320 764297874 /nfs/dbraw/zinc/29/78/74/764297874.db2.gz MUFMWNZBVYHGFX-IRXDYDNUSA-N 1 1 330.432 0.921 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCN(CC)C2=O)C1 ZINC001032047856 764308531 /nfs/dbraw/zinc/30/85/31/764308531.db2.gz PULCMXNANWNAOY-XHSDSOJGSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc3sccn32)C1 ZINC001047427739 764314755 /nfs/dbraw/zinc/31/47/55/764314755.db2.gz FBGLWXOZAUYFEZ-STQMWFEESA-N 1 1 332.429 0.845 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(n2)OCCO3)C1 ZINC001047441580 764356701 /nfs/dbraw/zinc/35/67/01/764356701.db2.gz IHZSLRDKJXEFCJ-KBPBESRZSA-N 1 1 333.388 0.546 20 30 ECEDMO C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015334994 764394688 /nfs/dbraw/zinc/39/46/88/764394688.db2.gz SFSVOYFJJNXLLA-WJEHIRDRSA-N 1 1 325.840 0.793 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001047460747 764414496 /nfs/dbraw/zinc/41/44/96/764414496.db2.gz OZGBUXQTVYTBPH-GJZGRUSLSA-N 1 1 329.404 0.429 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nc(CC)nc2C)C1 ZINC001047462585 764418337 /nfs/dbraw/zinc/41/83/37/764418337.db2.gz JBEJFMDDQKLFMP-HOTGVXAUSA-N 1 1 332.448 0.888 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@@H]2C)nn1 ZINC001088906607 764418880 /nfs/dbraw/zinc/41/88/80/764418880.db2.gz DKKQHNAUJFAWEC-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@@H]2C)nn1 ZINC001088906607 764418887 /nfs/dbraw/zinc/41/88/87/764418887.db2.gz DKKQHNAUJFAWEC-KGLIPLIRSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001047471591 764438798 /nfs/dbraw/zinc/43/87/98/764438798.db2.gz OYYBAUCMRXRJBW-QEJZJMRPSA-N 1 1 334.420 0.607 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001047473266 764443252 /nfs/dbraw/zinc/44/32/52/764443252.db2.gz PRRMMXPBQMRIKX-KKUMJFAQSA-N 1 1 344.477 0.423 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001047473266 764443259 /nfs/dbraw/zinc/44/32/59/764443259.db2.gz PRRMMXPBQMRIKX-KKUMJFAQSA-N 1 1 344.477 0.423 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3nccn3)CC2)C1=O ZINC001052418034 764449380 /nfs/dbraw/zinc/44/93/80/764449380.db2.gz HYGBKOPAXMINGS-HUUCEWRRSA-N 1 1 346.435 0.036 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001047478981 764463385 /nfs/dbraw/zinc/46/33/85/764463385.db2.gz GRGALTCOTNEYEN-HOTGVXAUSA-N 1 1 325.368 0.691 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001047478981 764463389 /nfs/dbraw/zinc/46/33/89/764463389.db2.gz GRGALTCOTNEYEN-HOTGVXAUSA-N 1 1 325.368 0.691 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001047479191 764464367 /nfs/dbraw/zinc/46/43/67/764464367.db2.gz FDQWIUNXPPMPBX-IRXDYDNUSA-N 1 1 349.475 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001047479191 764464374 /nfs/dbraw/zinc/46/43/74/764464374.db2.gz FDQWIUNXPPMPBX-IRXDYDNUSA-N 1 1 349.475 0.408 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001077480115 764474969 /nfs/dbraw/zinc/47/49/69/764474969.db2.gz JBCBYYNEQAMTTJ-HZPDHXFCSA-N 1 1 325.368 0.739 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001077480115 764474974 /nfs/dbraw/zinc/47/49/74/764474974.db2.gz JBCBYYNEQAMTTJ-HZPDHXFCSA-N 1 1 325.368 0.739 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001077480578 764517087 /nfs/dbraw/zinc/51/70/87/764517087.db2.gz YGNDSHVQJVFXNQ-FVQBIDKESA-N 1 1 329.400 0.850 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001047500885 764525425 /nfs/dbraw/zinc/52/54/25/764525425.db2.gz KYPMZBNUXPZYTM-KKUMJFAQSA-N 1 1 334.420 0.954 20 30 ECEDMO CN(C(=O)[C@]1(F)CCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047503147 764533106 /nfs/dbraw/zinc/53/31/06/764533106.db2.gz WQBZRLWPRCLTEA-BQFCYCMXSA-N 1 1 347.390 0.690 20 30 ECEDMO CN(C(=O)[C@]1(F)CCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047503147 764533110 /nfs/dbraw/zinc/53/31/10/764533110.db2.gz WQBZRLWPRCLTEA-BQFCYCMXSA-N 1 1 347.390 0.690 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098766755 764564178 /nfs/dbraw/zinc/56/41/78/764564178.db2.gz GRBKBTUNSOOIOB-NVXWUHKLSA-N 1 1 344.463 0.506 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766755 764564186 /nfs/dbraw/zinc/56/41/86/764564186.db2.gz GRBKBTUNSOOIOB-NVXWUHKLSA-N 1 1 344.463 0.506 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](C)[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001052476981 764586264 /nfs/dbraw/zinc/58/62/64/764586264.db2.gz DBMSPMZOLFAROS-DLBZAZTESA-N 1 1 349.475 0.723 20 30 ECEDMO N#CCN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089877470 764623857 /nfs/dbraw/zinc/62/38/57/764623857.db2.gz ZXJAMTSUAIGREP-YVSFHVDLSA-N 1 1 332.448 0.401 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001047540002 764633304 /nfs/dbraw/zinc/63/33/04/764633304.db2.gz OOAYJMUAQSCAJA-GJZGRUSLSA-N 1 1 328.372 0.810 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C ZINC001088963643 764640411 /nfs/dbraw/zinc/64/04/11/764640411.db2.gz PLUGGRYMPILQTJ-CABCVRRESA-N 1 1 347.463 0.926 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001047543677 764644240 /nfs/dbraw/zinc/64/42/40/764644240.db2.gz FKPSRPNUKJRPQL-GJZGRUSLSA-N 1 1 349.456 0.525 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001047543677 764644244 /nfs/dbraw/zinc/64/42/44/764644244.db2.gz FKPSRPNUKJRPQL-GJZGRUSLSA-N 1 1 349.456 0.525 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(=O)NC1=O ZINC001089885965 764696479 /nfs/dbraw/zinc/69/64/79/764696479.db2.gz KWWMUZQVRINPTB-XGUBFFRZSA-N 1 1 346.431 0.283 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)Cc3ccco3)C2)C1=O ZINC001047571920 764730419 /nfs/dbraw/zinc/73/04/19/764730419.db2.gz GCXLRCOUBSNHDD-PMPSAXMXSA-N 1 1 347.415 0.113 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)Cc3ccco3)C2)C1=O ZINC001047571920 764730423 /nfs/dbraw/zinc/73/04/23/764730423.db2.gz GCXLRCOUBSNHDD-PMPSAXMXSA-N 1 1 347.415 0.113 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001015483377 764749612 /nfs/dbraw/zinc/74/96/12/764749612.db2.gz WCEIBLBMZYFXEC-LSDHHAIUSA-N 1 1 325.368 0.277 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001015483377 764749620 /nfs/dbraw/zinc/74/96/20/764749620.db2.gz WCEIBLBMZYFXEC-LSDHHAIUSA-N 1 1 325.368 0.277 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001047578060 764754221 /nfs/dbraw/zinc/75/42/21/764754221.db2.gz KYXVIKMPPVOAJP-HOTGVXAUSA-N 1 1 343.431 0.970 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1OC ZINC001212194408 764768992 /nfs/dbraw/zinc/76/89/92/764768992.db2.gz RPFGLHCCGSQJNU-INMHGKMJSA-N 1 1 326.437 0.556 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cncn3)n2)C1 ZINC001047582116 764769875 /nfs/dbraw/zinc/76/98/75/764769875.db2.gz ZLPSVPJWJGBUKT-GJZGRUSLSA-N 1 1 342.403 0.356 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nc(C)ccc1=O ZINC001089887859 764775010 /nfs/dbraw/zinc/77/50/10/764775010.db2.gz BDXQMKNBJWRFHZ-HZMVEIRTSA-N 1 1 340.427 0.354 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015503184 764816427 /nfs/dbraw/zinc/81/64/27/764816427.db2.gz IUIULIGJGMBEKB-CABCVRRESA-N 1 1 342.399 0.393 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015503184 764816434 /nfs/dbraw/zinc/81/64/34/764816434.db2.gz IUIULIGJGMBEKB-CABCVRRESA-N 1 1 342.399 0.393 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001052597728 764824905 /nfs/dbraw/zinc/82/49/05/764824905.db2.gz AHYSZVUNOGPSIR-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001015513176 764845470 /nfs/dbraw/zinc/84/54/70/764845470.db2.gz BJGVLDKTVBVAST-GJZGRUSLSA-N 1 1 327.388 0.272 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn(C)c3ccccc23)C1 ZINC001047602385 764849101 /nfs/dbraw/zinc/84/91/01/764849101.db2.gz IQCGWTDYDRVZPJ-HOTGVXAUSA-N 1 1 326.400 0.714 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn(C)c3ccccc23)C1 ZINC001047602385 764849109 /nfs/dbraw/zinc/84/91/09/764849109.db2.gz IQCGWTDYDRVZPJ-HOTGVXAUSA-N 1 1 326.400 0.714 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(N)=O)c2)C1 ZINC001047624098 764912326 /nfs/dbraw/zinc/91/23/26/764912326.db2.gz GNCMPIXCPWTXKZ-GJZGRUSLSA-N 1 1 330.388 0.318 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(N)=O)c2)C1 ZINC001047624098 764912331 /nfs/dbraw/zinc/91/23/31/764912331.db2.gz GNCMPIXCPWTXKZ-GJZGRUSLSA-N 1 1 330.388 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cncs2)C1 ZINC000991956146 764927562 /nfs/dbraw/zinc/92/75/62/764927562.db2.gz YEAQDJGKGGGDDZ-RUXDESIVSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cncs2)C1 ZINC000991956146 764927567 /nfs/dbraw/zinc/92/75/67/764927567.db2.gz YEAQDJGKGGGDDZ-RUXDESIVSA-N 1 1 346.456 0.865 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1=O ZINC001015549701 764936030 /nfs/dbraw/zinc/93/60/30/764936030.db2.gz PWGGVPJKFNLLPH-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1=O ZINC001015549701 764936035 /nfs/dbraw/zinc/93/60/35/764936035.db2.gz PWGGVPJKFNLLPH-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nonc3C)[C@H]2C)C1=O ZINC001089075954 764971500 /nfs/dbraw/zinc/97/15/00/764971500.db2.gz CBJUHXUKZAKPRV-FRRDWIJNSA-N 1 1 333.392 0.358 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nonc3C)[C@H]2C)C1=O ZINC001089075954 764971507 /nfs/dbraw/zinc/97/15/07/764971507.db2.gz CBJUHXUKZAKPRV-FRRDWIJNSA-N 1 1 333.392 0.358 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)CC2)c1 ZINC001052695020 764998254 /nfs/dbraw/zinc/99/82/54/764998254.db2.gz FPEOIZAHNCOLAO-HZPDHXFCSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC001052707270 765020611 /nfs/dbraw/zinc/02/06/11/765020611.db2.gz DJTSBJJJMNWHPI-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001052722654 765043336 /nfs/dbraw/zinc/04/33/36/765043336.db2.gz NDPDNPKQDSSFEO-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000991980775 765045092 /nfs/dbraw/zinc/04/50/92/765045092.db2.gz JJOMRCXSGQRWSY-ABIUDSBCSA-N 1 1 329.404 0.605 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001052760654 765075853 /nfs/dbraw/zinc/07/58/53/765075853.db2.gz JDBIGBJBSXNEKP-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001052760654 765075859 /nfs/dbraw/zinc/07/58/59/765075859.db2.gz JDBIGBJBSXNEKP-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786065 765118645 /nfs/dbraw/zinc/11/86/45/765118645.db2.gz NXGVTSDBJVGCLG-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001052812681 765166511 /nfs/dbraw/zinc/16/65/11/765166511.db2.gz ALPRPXWULZFDNQ-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2-n2cccn2)C1 ZINC001077488849 765270441 /nfs/dbraw/zinc/27/04/41/765270441.db2.gz LPIRZUCQZSVZBI-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000992046217 765274672 /nfs/dbraw/zinc/27/46/72/765274672.db2.gz IKIGMRFLXACICI-OPFPJEHXSA-N 1 1 343.431 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)CC2)nc1 ZINC001052876646 765279480 /nfs/dbraw/zinc/27/94/80/765279480.db2.gz YNIVZMGYIUZKIE-UKRRQHHQSA-N 1 1 328.416 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2coc(C)n2)C1 ZINC000992062090 765329998 /nfs/dbraw/zinc/32/99/98/765329998.db2.gz QNLILCKBSXRHTQ-XUJLQICISA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2coc(C)n2)C1 ZINC000992062090 765330005 /nfs/dbraw/zinc/33/00/05/765330005.db2.gz QNLILCKBSXRHTQ-XUJLQICISA-N 1 1 344.415 0.705 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001015795290 765332863 /nfs/dbraw/zinc/33/28/63/765332863.db2.gz NXCLWIJOZSZQSJ-ZFWWWQNUSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001015795290 765332873 /nfs/dbraw/zinc/33/28/73/765332873.db2.gz NXCLWIJOZSZQSJ-ZFWWWQNUSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(CC=C)C3=O)C2)nn1 ZINC001015810351 765368398 /nfs/dbraw/zinc/36/83/98/765368398.db2.gz GYLFGKZYVDENAI-DZGCQCFKSA-N 1 1 344.419 0.055 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(CC=C)C3=O)C2)nn1 ZINC001015810351 765368408 /nfs/dbraw/zinc/36/84/08/765368408.db2.gz GYLFGKZYVDENAI-DZGCQCFKSA-N 1 1 344.419 0.055 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CCc3cnn(C)c3)C2)nn1 ZINC001015821328 765383215 /nfs/dbraw/zinc/38/32/15/765383215.db2.gz UENMQIOCNRFVQI-OAHLLOKOSA-N 1 1 343.435 0.635 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001053020351 765492454 /nfs/dbraw/zinc/49/24/54/765492454.db2.gz UVHPRZMIWMUDHG-HOTGVXAUSA-N 1 1 345.447 0.958 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)C2)cc1 ZINC001015908755 765527489 /nfs/dbraw/zinc/52/74/89/765527489.db2.gz SZGVZPZVCCSIKC-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nnc(-c2ccco2)n1 ZINC001017696489 768302173 /nfs/dbraw/zinc/30/21/73/768302173.db2.gz SKBAMLAFWKXOET-OKILXGFUSA-N 1 1 340.387 0.632 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001053092529 765568260 /nfs/dbraw/zinc/56/82/60/765568260.db2.gz SCEROEMEJLYBKC-HOTGVXAUSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCn2cnnn2)C1 ZINC001053102996 765581137 /nfs/dbraw/zinc/58/11/37/765581137.db2.gz YRQHGBGISRPKDE-HOTGVXAUSA-N 1 1 330.436 0.790 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(OC)nn3)C2)C1=O ZINC001015945806 765592955 /nfs/dbraw/zinc/59/29/55/765592955.db2.gz MSVGCKGPCDSLFY-GXTWGEPZSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(OC)nn3)C2)C1=O ZINC001015945806 765592960 /nfs/dbraw/zinc/59/29/60/765592960.db2.gz MSVGCKGPCDSLFY-GXTWGEPZSA-N 1 1 345.403 0.076 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)c1 ZINC000992142063 765636650 /nfs/dbraw/zinc/63/66/50/765636650.db2.gz JRVMQEMKZLPAGB-PBHICJAKSA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)c1 ZINC000992142063 765636653 /nfs/dbraw/zinc/63/66/53/765636653.db2.gz JRVMQEMKZLPAGB-PBHICJAKSA-N 1 1 330.363 0.796 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001016005674 765705764 /nfs/dbraw/zinc/70/57/64/765705764.db2.gz YQVBRABWLQBIAZ-DZGCQCFKSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001016005674 765705772 /nfs/dbraw/zinc/70/57/72/765705772.db2.gz YQVBRABWLQBIAZ-DZGCQCFKSA-N 1 1 331.420 0.494 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC001016021686 765726379 /nfs/dbraw/zinc/72/63/79/765726379.db2.gz ZBQJJUUILAVENJ-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC001016021686 765726388 /nfs/dbraw/zinc/72/63/88/765726388.db2.gz ZBQJJUUILAVENJ-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+]([C@H](CC)C(N)=O)C1 ZINC001016021680 765726729 /nfs/dbraw/zinc/72/67/29/765726729.db2.gz YZQZXSQIRQIYIT-GXTWGEPZSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001016021680 765726735 /nfs/dbraw/zinc/72/67/35/765726735.db2.gz YZQZXSQIRQIYIT-GXTWGEPZSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@H]12 ZINC000992168225 765739864 /nfs/dbraw/zinc/73/98/64/765739864.db2.gz CVTYUAINBSKFEL-LDDOYCOJSA-N 1 1 333.432 0.369 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(=O)NC)CC3)c1 ZINC000992175734 765774045 /nfs/dbraw/zinc/77/40/45/765774045.db2.gz JDXKYNGKDRVHTL-YJBOKZPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)NC)CC3)c1 ZINC000992175734 765774048 /nfs/dbraw/zinc/77/40/48/765774048.db2.gz JDXKYNGKDRVHTL-YJBOKZPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001017719100 768321688 /nfs/dbraw/zinc/32/16/88/768321688.db2.gz NGRVSOUVWBJHJS-GASCZTMLSA-N 1 1 346.431 0.755 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001017719100 768321696 /nfs/dbraw/zinc/32/16/96/768321696.db2.gz NGRVSOUVWBJHJS-GASCZTMLSA-N 1 1 346.431 0.755 20 30 ECEDMO Cc1nsc(NC[C@@H](O)CNC(=O)C[N@@H+]2CCC[C@H]2C)c1C#N ZINC001106108798 765860346 /nfs/dbraw/zinc/86/03/46/765860346.db2.gz PMUWVTHWAYIJBP-PWSUYJOCSA-N 1 1 337.449 0.697 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nncn2CC1 ZINC001017746147 768343364 /nfs/dbraw/zinc/34/33/64/768343364.db2.gz XDZBMBONCKJGDI-HRCADAONSA-N 1 1 327.432 0.929 20 30 ECEDMO C=CCCN1CC2(C1)CN(C(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)CCO2 ZINC001053347580 766009952 /nfs/dbraw/zinc/00/99/52/766009952.db2.gz LLQMGTPVQWNGCE-UPTPFMHGSA-N 1 1 347.459 0.339 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H](OC)c1cnn(C)c1)CCO2 ZINC001053358104 766027425 /nfs/dbraw/zinc/02/74/25/766027425.db2.gz HFQYIUWKGYLMKK-MRXNPFEDSA-N 1 1 348.447 0.987 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001016341958 766152624 /nfs/dbraw/zinc/15/26/24/766152624.db2.gz XGPZHVXDTWJHPI-CYBMUJFWSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001016358165 766182917 /nfs/dbraw/zinc/18/29/17/766182917.db2.gz YNSVKXWDXPIFQL-UKRRQHHQSA-N 1 1 331.416 0.858 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001016358165 766182925 /nfs/dbraw/zinc/18/29/25/766182925.db2.gz YNSVKXWDXPIFQL-UKRRQHHQSA-N 1 1 331.416 0.858 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016370124 766193892 /nfs/dbraw/zinc/19/38/92/766193892.db2.gz SPUWFPYXEUDBQD-GRTSSRMGSA-N 1 1 343.431 0.947 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016370837 766194836 /nfs/dbraw/zinc/19/48/36/766194836.db2.gz CESQANGJGVFHGB-IYXRBSQSSA-N 1 1 329.404 0.557 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC000992310367 766231432 /nfs/dbraw/zinc/23/14/32/766231432.db2.gz OASKPHBGMLRCSP-CXAGYDPISA-N 1 1 325.412 0.949 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCN(C)S3(=O)=O)CCC[C@H]12 ZINC000992314562 766248226 /nfs/dbraw/zinc/24/82/26/766248226.db2.gz UITBBQUFJPDBKO-OFQRWUPVSA-N 1 1 341.477 0.710 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001017774090 768360556 /nfs/dbraw/zinc/36/05/56/768360556.db2.gz XMGJHCPRPQVIJE-VVLHAWIVSA-N 1 1 335.448 0.874 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001017774090 768360565 /nfs/dbraw/zinc/36/05/65/768360565.db2.gz XMGJHCPRPQVIJE-VVLHAWIVSA-N 1 1 335.448 0.874 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2ccccn2c1=O ZINC001017781632 768365489 /nfs/dbraw/zinc/36/54/89/768365489.db2.gz HTYQEQCJDQFRSV-GASCZTMLSA-N 1 1 341.415 0.747 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)[C@@H](O)C1 ZINC001083689890 766314122 /nfs/dbraw/zinc/31/41/22/766314122.db2.gz QNRKXLPLWYVHRW-SJORKVTESA-N 1 1 327.384 0.975 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)[C@@H](O)C1 ZINC001083689890 766314127 /nfs/dbraw/zinc/31/41/27/766314127.db2.gz QNRKXLPLWYVHRW-SJORKVTESA-N 1 1 327.384 0.975 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@@H]12 ZINC000992353860 766357856 /nfs/dbraw/zinc/35/78/56/766357856.db2.gz SVCNTCCLAPYTMT-APWZRJJASA-N 1 1 342.443 0.997 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001045782303 766364164 /nfs/dbraw/zinc/36/41/64/766364164.db2.gz DVKDTTUURYWJQA-PBHICJAKSA-N 1 1 337.464 0.763 20 30 ECEDMO CO[C@@H](C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)O2 ZINC001053593405 766391013 /nfs/dbraw/zinc/39/10/13/766391013.db2.gz JMHXHIRTLCFASY-WFASDCNBSA-N 1 1 332.404 0.884 20 30 ECEDMO COC[C@@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)O2 ZINC001053593494 766391055 /nfs/dbraw/zinc/39/10/55/766391055.db2.gz MHLOFPWCSWLQCR-DOMZBBRYSA-N 1 1 332.404 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)[C@@H]2CCOC2)C1 ZINC000992364846 766392942 /nfs/dbraw/zinc/39/29/42/766392942.db2.gz SIFHWPMDKHWZPC-KNIAUWFNSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)[C@@H]2CCOC2)C1 ZINC000992364846 766392953 /nfs/dbraw/zinc/39/29/53/766392953.db2.gz SIFHWPMDKHWZPC-KNIAUWFNSA-N 1 1 333.432 0.132 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)nn1 ZINC001045860735 766440233 /nfs/dbraw/zinc/44/02/33/766440233.db2.gz LIFHAMPFKSSBBS-UPJWGTAASA-N 1 1 332.408 0.017 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(N)=O)nn1 ZINC001045860735 766440236 /nfs/dbraw/zinc/44/02/36/766440236.db2.gz LIFHAMPFKSSBBS-UPJWGTAASA-N 1 1 332.408 0.017 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCn3cncc3C1)O2 ZINC001053617516 766441938 /nfs/dbraw/zinc/44/19/38/766441938.db2.gz AOUSTPSYTHKRGL-DOTOQJQBSA-N 1 1 342.443 0.818 20 30 ECEDMO C#CCN1CC2(C1)CC[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)O2 ZINC001053620019 766451570 /nfs/dbraw/zinc/45/15/70/766451570.db2.gz FFDIPZBJTTWDTP-CYBMUJFWSA-N 1 1 332.404 0.333 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cccn4c(=O)[nH]nc34)CCC[C@@H]12 ZINC000992395447 766468405 /nfs/dbraw/zinc/46/84/05/766468405.db2.gz IRZIPDGFHLCUKM-DYVFJYSZSA-N 1 1 325.372 0.795 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)[nH]1 ZINC001045929049 766500073 /nfs/dbraw/zinc/50/00/73/766500073.db2.gz BIRBHEUSSASASG-KRWDZBQOSA-N 1 1 329.404 0.690 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCOCC1=O)C2 ZINC001045943921 766514355 /nfs/dbraw/zinc/51/43/55/766514355.db2.gz RMQRUKKBWSPPFY-SFHVURJKSA-N 1 1 333.432 0.183 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001045943530 766514424 /nfs/dbraw/zinc/51/44/24/766514424.db2.gz KHESOZBWYJMPKO-KSSFIOAISA-N 1 1 348.447 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)cn1 ZINC000992412146 766516079 /nfs/dbraw/zinc/51/60/79/766516079.db2.gz RCABRMWVTWEZDL-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@@H](C)C(=O)NC)CC3)nc1 ZINC000992422480 766532532 /nfs/dbraw/zinc/53/25/32/766532532.db2.gz OHMUBWMJDJKCJJ-AXHNFQJDSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cn(C4CCOCC4)nn3)CCC[C@@H]12 ZINC000992424113 766541566 /nfs/dbraw/zinc/54/15/66/766541566.db2.gz GZRGBLDSGODIPX-AEFFLSMTSA-N 1 1 343.431 0.990 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)nn1 ZINC001045973414 766543377 /nfs/dbraw/zinc/54/33/77/766543377.db2.gz PLBJPFOMLCKTFX-QGZVFWFLSA-N 1 1 346.435 0.268 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)nn1 ZINC001045973414 766543382 /nfs/dbraw/zinc/54/33/82/766543382.db2.gz PLBJPFOMLCKTFX-QGZVFWFLSA-N 1 1 346.435 0.268 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001045982780 766553242 /nfs/dbraw/zinc/55/32/42/766553242.db2.gz FPNCCLJWYGQPGJ-RDTXWAMCSA-N 1 1 348.447 0.865 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001045984766 766556147 /nfs/dbraw/zinc/55/61/47/766556147.db2.gz IGLKIPSETNMZAU-ZBFHGGJFSA-N 1 1 341.477 0.569 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001045988286 766561899 /nfs/dbraw/zinc/56/18/99/766561899.db2.gz MHUUEFJQUDSPKS-KDOFPFPSSA-N 1 1 331.416 0.377 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC001045999661 766596944 /nfs/dbraw/zinc/59/69/44/766596944.db2.gz KJULOBRCJQJHKD-HNNXBMFYSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H](O)CNc2cc(CC)[nH+]c(C)n2)nn1 ZINC001106132269 766609304 /nfs/dbraw/zinc/60/93/04/766609304.db2.gz XIOOAZXVVPXZPP-CYBMUJFWSA-N 1 1 345.407 0.328 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C(=O)NC)n3)CCC[C@H]12 ZINC000992453635 766612647 /nfs/dbraw/zinc/61/26/47/766612647.db2.gz HLMMMWRMSLPIJO-YJBOKZPZSA-N 1 1 326.400 0.801 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@H]12 ZINC000992453702 766612758 /nfs/dbraw/zinc/61/27/58/766612758.db2.gz HSDURHGOPJPZRG-WMLDXEAASA-N 1 1 331.420 0.027 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3nncn3C1)O2 ZINC001053700987 766622181 /nfs/dbraw/zinc/62/21/81/766622181.db2.gz JSEGSWSUFOJCEM-LSDHHAIUSA-N 1 1 343.431 0.213 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001046011283 766635926 /nfs/dbraw/zinc/63/59/26/766635926.db2.gz BHFBBIHWLRKEMX-ZBFHGGJFSA-N 1 1 330.436 0.298 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC001046011371 766636052 /nfs/dbraw/zinc/63/60/52/766636052.db2.gz COENAHFPCAERJW-ZBFHGGJFSA-N 1 1 330.436 0.298 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001046011656 766636763 /nfs/dbraw/zinc/63/67/63/766636763.db2.gz FRXDDIWNKPMULK-HOTGVXAUSA-N 1 1 330.436 0.261 20 30 ECEDMO COc1cc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)on1 ZINC001046012065 766638471 /nfs/dbraw/zinc/63/84/71/766638471.db2.gz KKPYTMGNWFDNMO-KBPBESRZSA-N 1 1 347.419 0.561 20 30 ECEDMO COc1cc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)on1 ZINC001046012065 766638475 /nfs/dbraw/zinc/63/84/75/766638475.db2.gz KKPYTMGNWFDNMO-KBPBESRZSA-N 1 1 347.419 0.561 20 30 ECEDMO Cc1nccnc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011955 766638602 /nfs/dbraw/zinc/63/86/02/766638602.db2.gz JJPRJRULRFWMII-GDBMZVCRSA-N 1 1 342.447 0.663 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)n(C)n3)CC2)C1 ZINC001046012620 766639815 /nfs/dbraw/zinc/63/98/15/766639815.db2.gz RGNJGGZXLCZQCC-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)no1 ZINC001046013442 766642436 /nfs/dbraw/zinc/64/24/36/766642436.db2.gz YJWQFUMLPYFRRC-CJNGLKHVSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)no1 ZINC001046013442 766642444 /nfs/dbraw/zinc/64/24/44/766642444.db2.gz YJWQFUMLPYFRRC-CJNGLKHVSA-N 1 1 331.420 0.861 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12 ZINC000992472107 766653239 /nfs/dbraw/zinc/65/32/39/766653239.db2.gz IFLPHOAIOFUZQB-RDTXWAMCSA-N 1 1 348.447 0.960 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cccnc3)CC2)C1 ZINC001046023189 766672639 /nfs/dbraw/zinc/67/26/39/766672639.db2.gz GSDOAFDUKKVQKF-SFHVURJKSA-N 1 1 326.444 0.866 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnnc(C)c3)CC2)C1 ZINC001046025285 766678753 /nfs/dbraw/zinc/67/87/53/766678753.db2.gz WFNNLFKPQASSNI-KRWDZBQOSA-N 1 1 327.432 0.640 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc(C)o3)CC2)C1 ZINC001046026537 766683088 /nfs/dbraw/zinc/68/30/88/766683088.db2.gz ZDCSBWVMGDRRSK-OAHLLOKOSA-N 1 1 333.436 0.715 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001046026781 766684143 /nfs/dbraw/zinc/68/41/43/766684143.db2.gz HTWRYOFTHAQELS-STQMWFEESA-N 1 1 342.827 0.066 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001046026781 766684145 /nfs/dbraw/zinc/68/41/45/766684145.db2.gz HTWRYOFTHAQELS-STQMWFEESA-N 1 1 342.827 0.066 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CCC(O)CC3)CC2)C1 ZINC001046027393 766685606 /nfs/dbraw/zinc/68/56/06/766685606.db2.gz KZMXCIQMEFNEPQ-LXPRWKDFSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nccc(C)n3)CC2)C1 ZINC001046028132 766690057 /nfs/dbraw/zinc/69/00/57/766690057.db2.gz REGCBOUSXCZOMR-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046028404 766691193 /nfs/dbraw/zinc/69/11/93/766691193.db2.gz BHQXRJUIXUBDCI-IAGOWNOFSA-N 1 1 333.480 0.601 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cccc(C)c3=O)CC2)C1 ZINC001046030696 766697807 /nfs/dbraw/zinc/69/78/07/766697807.db2.gz YXBPSIUIBYMUSP-KRWDZBQOSA-N 1 1 344.459 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cn[nH]c2)C1 ZINC001016670332 766698749 /nfs/dbraw/zinc/69/87/49/766698749.db2.gz KMGITRKLCLSGAP-NRXISQOPSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cn[nH]c2)C1 ZINC001016670332 766698751 /nfs/dbraw/zinc/69/87/51/766698751.db2.gz KMGITRKLCLSGAP-NRXISQOPSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cc(C)n[nH]2)C1 ZINC001016670960 766700498 /nfs/dbraw/zinc/70/04/98/766700498.db2.gz XNODKWBDKQQPIE-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cc(C)n[nH]2)C1 ZINC001016670960 766700502 /nfs/dbraw/zinc/70/05/02/766700502.db2.gz XNODKWBDKQQPIE-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO CCN(c1nc(C)cc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089624425 766701470 /nfs/dbraw/zinc/70/14/70/766701470.db2.gz AVJUMZOCQLFQAH-HIFRSBDPSA-N 1 1 346.435 0.318 20 30 ECEDMO CCN(c1nc(C)cc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089624425 766701479 /nfs/dbraw/zinc/70/14/79/766701479.db2.gz AVJUMZOCQLFQAH-HIFRSBDPSA-N 1 1 346.435 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccc(C)o2)C1 ZINC000994753335 766709781 /nfs/dbraw/zinc/70/97/81/766709781.db2.gz YUDJJDUMLDMNTQ-INIZCTEOSA-N 1 1 329.400 0.555 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccc(C)o2)C1 ZINC000994753335 766709787 /nfs/dbraw/zinc/70/97/87/766709787.db2.gz YUDJJDUMLDMNTQ-INIZCTEOSA-N 1 1 329.400 0.555 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000994753560 766711029 /nfs/dbraw/zinc/71/10/29/766711029.db2.gz IOPFDGMBGQZXAE-IRXDYDNUSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2occ3c2CCC3)C1 ZINC000994753506 766711138 /nfs/dbraw/zinc/71/11/38/766711138.db2.gz HIBIMIISSHJFDJ-INIZCTEOSA-N 1 1 341.411 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2occ3c2CCC3)C1 ZINC000994753506 766711142 /nfs/dbraw/zinc/71/11/42/766711142.db2.gz HIBIMIISSHJFDJ-INIZCTEOSA-N 1 1 341.411 0.807 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC001046034676 766715826 /nfs/dbraw/zinc/71/58/26/766715826.db2.gz WVMQKLQXBQEAEK-QGZVFWFLSA-N 1 1 327.432 0.261 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046035204 766719609 /nfs/dbraw/zinc/71/96/09/766719609.db2.gz GVPINMQZVZOOQH-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@@H]12 ZINC000992499679 766720418 /nfs/dbraw/zinc/72/04/18/766720418.db2.gz NQCFZVMUWVYNLT-YRGRVCCFSA-N 1 1 347.868 0.544 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@@H]12 ZINC000992499679 766720421 /nfs/dbraw/zinc/72/04/21/766720421.db2.gz NQCFZVMUWVYNLT-YRGRVCCFSA-N 1 1 347.868 0.544 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000994756172 766724393 /nfs/dbraw/zinc/72/43/93/766724393.db2.gz UUWQWCSRFPNXEE-DLBZAZTESA-N 1 1 346.475 0.284 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1 ZINC001046036563 766728696 /nfs/dbraw/zinc/72/86/96/766728696.db2.gz BOSLYZAKFXXZQI-CQSZACIVSA-N 1 1 333.436 0.832 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001077561101 766732109 /nfs/dbraw/zinc/73/21/09/766732109.db2.gz VXEGDILKFMRAJS-IXDOHACOSA-N 1 1 337.464 0.367 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc4n[nH]cc4c3)CC2)C1 ZINC001046038369 766738284 /nfs/dbraw/zinc/73/82/84/766738284.db2.gz DAESXGHQVNAXKA-INIZCTEOSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046039134 766740556 /nfs/dbraw/zinc/74/05/56/766740556.db2.gz SNBWJQYRFVPTLE-QAPCUYQASA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046039516 766743286 /nfs/dbraw/zinc/74/32/86/766743286.db2.gz ZQGRDQMMPXHVHT-VQIMIIECSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccn4nccc34)CC2)C1 ZINC001046040661 766748216 /nfs/dbraw/zinc/74/82/16/766748216.db2.gz GQSXETOIJZQJJJ-INIZCTEOSA-N 1 1 337.427 0.800 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC2)C1 ZINC001046041310 766751597 /nfs/dbraw/zinc/75/15/97/766751597.db2.gz FQROIKNGWMLQIN-JKSUJKDBSA-N 1 1 349.479 0.182 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC001046042792 766757591 /nfs/dbraw/zinc/75/75/91/766757591.db2.gz MXUVPHIFPGNYSX-KRWDZBQOSA-N 1 1 348.491 0.794 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098779488 766762284 /nfs/dbraw/zinc/76/22/84/766762284.db2.gz HNWGKGCCJIUMLU-MRXNPFEDSA-N 1 1 330.436 0.260 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC001046043942 766765020 /nfs/dbraw/zinc/76/50/20/766765020.db2.gz NNPJCXPGVMVGGB-SFHVURJKSA-N 1 1 341.459 0.651 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC001046046092 766773124 /nfs/dbraw/zinc/77/31/24/766773124.db2.gz VXGWRKQEXDPEKB-SJLPKXTDSA-N 1 1 343.475 0.765 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(CCOC)nn1 ZINC001089637755 766775399 /nfs/dbraw/zinc/77/53/99/766775399.db2.gz OSEUIBKMOIGNSK-CQSZACIVSA-N 1 1 333.436 0.778 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(CCOC)nn1 ZINC001089637755 766775402 /nfs/dbraw/zinc/77/54/02/766775402.db2.gz OSEUIBKMOIGNSK-CQSZACIVSA-N 1 1 333.436 0.778 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC001046047377 766778027 /nfs/dbraw/zinc/77/80/27/766778027.db2.gz NYZYOJKMTHTPSP-MAUKXSAKSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3coc(OC)n3)CC2)C1 ZINC001046048131 766780148 /nfs/dbraw/zinc/78/01/48/766780148.db2.gz QOTHIBQHUSSOAF-AWEZNQCLSA-N 1 1 332.404 0.539 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001046049156 766782866 /nfs/dbraw/zinc/78/28/66/766782866.db2.gz LDEOHOCEDBWINF-CABCVRRESA-N 1 1 336.480 0.552 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046050325 766787113 /nfs/dbraw/zinc/78/71/13/766787113.db2.gz KKTSTAFMAHAZMZ-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3csc(=O)[nH]3)CC2)C1 ZINC001046053299 766796090 /nfs/dbraw/zinc/79/60/90/766796090.db2.gz XZJLMSKAGQKCIJ-ZDUSSCGKSA-N 1 1 334.445 0.704 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)CC2)C1 ZINC001046054774 766803280 /nfs/dbraw/zinc/80/32/80/766803280.db2.gz PSEJXKLKWCMAQV-LSDHHAIUSA-N 1 1 342.447 0.076 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC001046056852 766811041 /nfs/dbraw/zinc/81/10/41/766811041.db2.gz VFSLSDFDNOGMIT-OAHLLOKOSA-N 1 1 345.447 0.899 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CC3=CCOCC3)CC2)C1 ZINC001046057873 766817037 /nfs/dbraw/zinc/81/70/37/766817037.db2.gz ZHPZXNYXVXAWQO-SFHVURJKSA-N 1 1 331.460 0.965 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)c[nH]1 ZINC001053778922 766817637 /nfs/dbraw/zinc/81/76/37/766817637.db2.gz KOUKITHLOKTTJX-IUODEOHRSA-N 1 1 330.388 0.496 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC001046057956 766817870 /nfs/dbraw/zinc/81/78/70/766817870.db2.gz APEZCNXHNWIVBX-MRXNPFEDSA-N 1 1 347.463 0.594 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC001046059103 766820715 /nfs/dbraw/zinc/82/07/15/766820715.db2.gz YXJNAHZMHJUAFC-MRXNPFEDSA-N 1 1 345.447 0.041 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC001046059901 766825205 /nfs/dbraw/zinc/82/52/05/766825205.db2.gz RCIVUYRXTMIGSZ-OAHLLOKOSA-N 1 1 344.415 0.234 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 ZINC001046060528 766826838 /nfs/dbraw/zinc/82/68/38/766826838.db2.gz BDXVLBQSGFNHSQ-QFBILLFUSA-N 1 1 348.491 0.697 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1 ZINC001046062430 766832703 /nfs/dbraw/zinc/83/27/03/766832703.db2.gz GVXXIPDPPVJCBX-GVDBMIGSSA-N 1 1 343.475 0.928 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001046062344 766833749 /nfs/dbraw/zinc/83/37/49/766833749.db2.gz FTQBHXIXBBQHAP-PMPSAXMXSA-N 1 1 334.464 0.293 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046065282 766849236 /nfs/dbraw/zinc/84/92/36/766849236.db2.gz JVRZJOOKSIEROI-BBWFWOEESA-N 1 1 337.464 0.178 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046069548 766870458 /nfs/dbraw/zinc/87/04/58/766870458.db2.gz IEFGTJMHZDQGCJ-HOTGVXAUSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CCC=C)nn3)CC2)C1 ZINC001046070387 766872810 /nfs/dbraw/zinc/87/28/10/766872810.db2.gz UMPJRBZAUGBVOY-MRXNPFEDSA-N 1 1 342.447 0.320 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)nc(C)n3)CC2)C1 ZINC001046070559 766873399 /nfs/dbraw/zinc/87/33/99/766873399.db2.gz XEGGBGGOCJFAOF-KRWDZBQOSA-N 1 1 341.459 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccn4ccnc34)CC2)C1 ZINC001046070625 766874760 /nfs/dbraw/zinc/87/47/60/766874760.db2.gz XUTODHXEFUJJCC-INIZCTEOSA-N 1 1 337.427 0.800 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCN3CCOCC3)CC2)C1 ZINC001046071303 766876874 /nfs/dbraw/zinc/87/68/74/766876874.db2.gz GSOHXBXZEXHYGA-KRWDZBQOSA-N 1 1 336.480 0.113 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn(CC)n3)CC2)C1 ZINC001046071199 766877900 /nfs/dbraw/zinc/87/79/00/766877900.db2.gz TXZWJWDIGCDWQH-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H]3CC)CC2)C1 ZINC001046075027 766893217 /nfs/dbraw/zinc/89/32/17/766893217.db2.gz NBPJBXOFMLOFJB-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(OC)cc[nH]c3=O)CC2)C1 ZINC001046075730 766900066 /nfs/dbraw/zinc/90/00/66/766900066.db2.gz CURZTYDMCIVHBK-CQSZACIVSA-N 1 1 346.431 0.814 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cc(C(N)=O)ccn3)CCC[C@@H]12 ZINC000992567036 766901513 /nfs/dbraw/zinc/90/15/13/766901513.db2.gz CIWSMRLPJSZVOV-CRAIPNDOSA-N 1 1 326.400 0.931 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CC)cn3)CC2)C1 ZINC001046077245 766906703 /nfs/dbraw/zinc/90/67/03/766906703.db2.gz SXPFBIACSPGDFU-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC001046077326 766908227 /nfs/dbraw/zinc/90/82/27/766908227.db2.gz MLGXYLPGMYPMPO-PKOBYXMFSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC001046077667 766908844 /nfs/dbraw/zinc/90/88/44/766908844.db2.gz PUKRHYJAAJTBOG-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC001046081740 766920252 /nfs/dbraw/zinc/92/02/52/766920252.db2.gz NNSQQYSLDGIXBW-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC001046082963 766922450 /nfs/dbraw/zinc/92/24/50/766922450.db2.gz YZWKIQHBUPRXKS-KRWDZBQOSA-N 1 1 342.443 0.090 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccnc3OCC)CC2)C1 ZINC001046083164 766922839 /nfs/dbraw/zinc/92/28/39/766922839.db2.gz LOJCZGXXLADCFC-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn(C)c3)CC2)C1 ZINC001046085052 766925861 /nfs/dbraw/zinc/92/58/61/766925861.db2.gz DLEBFGYPASZYTJ-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)C3CCOCC3)C2)C1=O ZINC001046097833 766934463 /nfs/dbraw/zinc/93/44/63/766934463.db2.gz IRPNELYICSYJOI-QAPCUYQASA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)CO2 ZINC001053820530 766934541 /nfs/dbraw/zinc/93/45/41/766934541.db2.gz DXEHBUACRKCJRO-QWHCGFSZSA-N 1 1 335.404 0.060 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001046116678 766943872 /nfs/dbraw/zinc/94/38/72/766943872.db2.gz BSJOSPZNNXBIQP-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001046116678 766943873 /nfs/dbraw/zinc/94/38/73/766943873.db2.gz BSJOSPZNNXBIQP-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCC(=O)NC1)CO2 ZINC001053827152 766955045 /nfs/dbraw/zinc/95/50/45/766955045.db2.gz SNBZGMZXSRINSA-CABCVRRESA-N 1 1 335.448 0.828 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(C#N)n2)CC[N@H+]1C ZINC001046125886 766956886 /nfs/dbraw/zinc/95/68/86/766956886.db2.gz YRSBOTWFSUZTDW-KBUPBQIOSA-N 1 1 342.447 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(C/C=C/Cl)C2)C1 ZINC001053832414 766969654 /nfs/dbraw/zinc/96/96/54/766969654.db2.gz KAZCHTZVUSGHLD-WBNAFJIESA-N 1 1 337.851 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(C/C=C/Cl)C2)C1 ZINC001053832414 766969657 /nfs/dbraw/zinc/96/96/57/766969657.db2.gz KAZCHTZVUSGHLD-WBNAFJIESA-N 1 1 337.851 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ncnn2C(C)C)C1 ZINC001031741409 766991501 /nfs/dbraw/zinc/99/15/01/766991501.db2.gz YURVWMPREVJQRF-INIZCTEOSA-N 1 1 344.463 0.505 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ncnn2C(C)C)C1 ZINC001031741409 766991506 /nfs/dbraw/zinc/99/15/06/766991506.db2.gz YURVWMPREVJQRF-INIZCTEOSA-N 1 1 344.463 0.505 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2O)c1 ZINC001083765015 766998735 /nfs/dbraw/zinc/99/87/35/766998735.db2.gz JKCVFKSDKMHOHJ-CABCVRRESA-N 1 1 335.354 0.883 20 30 ECEDMO CC1(C)CC[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)N(CC#N)C1 ZINC001089674475 766999826 /nfs/dbraw/zinc/99/98/26/766999826.db2.gz ADGHQFNGWTUYBX-YJTLQXIOSA-N 1 1 346.475 0.980 20 30 ECEDMO C[C@@H]1OCCO[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031743525 767002832 /nfs/dbraw/zinc/00/28/32/767002832.db2.gz YHWRJRRGPOJURO-GUYCJALGSA-N 1 1 329.400 0.910 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCn3ccnc3C1)CO2 ZINC001053852659 767023985 /nfs/dbraw/zinc/02/39/85/767023985.db2.gz OJGVKYGDVRMTID-LSDHHAIUSA-N 1 1 330.432 0.981 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3cncn3C1)CO2 ZINC001053852715 767025047 /nfs/dbraw/zinc/02/50/47/767025047.db2.gz PDLJMVBDMRMFHC-HUUCEWRRSA-N 1 1 330.432 0.981 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3c1OCCC3)CO2 ZINC001053858807 767049230 /nfs/dbraw/zinc/04/92/30/767049230.db2.gz ROQKQOZDXFHRQV-CYBMUJFWSA-N 1 1 332.404 0.815 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CC4)[C@H]3C2)[nH]1 ZINC001042015428 782601895 /nfs/dbraw/zinc/60/18/95/782601895.db2.gz HNPWSCOZNOGQFU-WBMJQRKESA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CC4)[C@H]3C2)[nH]1 ZINC001042015428 782601902 /nfs/dbraw/zinc/60/19/02/782601902.db2.gz HNPWSCOZNOGQFU-WBMJQRKESA-N 1 1 341.415 0.701 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001089693715 767069112 /nfs/dbraw/zinc/06/91/12/767069112.db2.gz ODOMJMRDGPUENL-QLFBSQMISA-N 1 1 335.448 0.649 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)c2ccc(F)cc2F)CC1 ZINC000068444899 767103046 /nfs/dbraw/zinc/10/30/46/767103046.db2.gz QABBCTOTJBCCPV-UHFFFAOYSA-N 1 1 335.354 0.862 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001077564329 767104654 /nfs/dbraw/zinc/10/46/54/767104654.db2.gz IUXGZXHCSVDECY-NVXWUHKLSA-N 1 1 326.400 0.529 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001077564329 767104655 /nfs/dbraw/zinc/10/46/55/767104655.db2.gz IUXGZXHCSVDECY-NVXWUHKLSA-N 1 1 326.400 0.529 20 30 ECEDMO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001046248011 767107014 /nfs/dbraw/zinc/10/70/14/767107014.db2.gz KZADWSVQMSUPIN-QGZVFWFLSA-N 1 1 329.404 0.703 20 30 ECEDMO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001046248011 767107015 /nfs/dbraw/zinc/10/70/15/767107015.db2.gz KZADWSVQMSUPIN-QGZVFWFLSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2ccco2)C1 ZINC000938756652 767108212 /nfs/dbraw/zinc/10/82/12/767108212.db2.gz UTUXCSBQCUNLDW-WBVHZDCISA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2ccco2)C1 ZINC000938756652 767108213 /nfs/dbraw/zinc/10/82/13/767108213.db2.gz UTUXCSBQCUNLDW-WBVHZDCISA-N 1 1 343.427 0.979 20 30 ECEDMO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001046249606 767108876 /nfs/dbraw/zinc/10/88/76/767108876.db2.gz YXNIPKZUAVFMPS-DYVFJYSZSA-N 1 1 339.403 0.860 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001089709736 767112376 /nfs/dbraw/zinc/11/23/76/767112376.db2.gz WTKVXWCICUCQHW-XYEKJYRLSA-N 1 1 346.431 0.215 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938823406 767122477 /nfs/dbraw/zinc/12/24/77/767122477.db2.gz HQOJHTIFXJDMHE-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nccc(C)n3)C2)C1=O ZINC001046280102 767123733 /nfs/dbraw/zinc/12/37/33/767123733.db2.gz HIZDTBOQNHUADS-RDTXWAMCSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3nccc(C)n3)C2)C1=O ZINC001046280102 767123735 /nfs/dbraw/zinc/12/37/35/767123735.db2.gz HIZDTBOQNHUADS-RDTXWAMCSA-N 1 1 343.431 0.766 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046321232 767146662 /nfs/dbraw/zinc/14/66/62/767146662.db2.gz OCPYJKBIRHXGJG-CXAGYDPISA-N 1 1 331.420 0.919 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046328369 767151827 /nfs/dbraw/zinc/15/18/27/767151827.db2.gz YTGJTUINJCRHKC-RVKKMQEKSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046328369 767151828 /nfs/dbraw/zinc/15/18/28/767151828.db2.gz YTGJTUINJCRHKC-RVKKMQEKSA-N 1 1 335.448 0.827 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(c3ccccc3OC)CC2)C1 ZINC001078278887 782607041 /nfs/dbraw/zinc/60/70/41/782607041.db2.gz ITNZQYWUORMHBI-HZPDHXFCSA-N 1 1 328.412 0.911 20 30 ECEDMO C=C(Br)CN1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765906 767170845 /nfs/dbraw/zinc/17/08/45/767170845.db2.gz UFWPKWZWMLMQPC-DGCLKSJQSA-N 1 1 346.269 0.662 20 30 ECEDMO C=C(Br)CN1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765906 767170846 /nfs/dbraw/zinc/17/08/46/767170846.db2.gz UFWPKWZWMLMQPC-DGCLKSJQSA-N 1 1 346.269 0.662 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCC4)[C@H]3C2)c[nH]1 ZINC001042018902 782610176 /nfs/dbraw/zinc/61/01/76/782610176.db2.gz ORWHMBKZNQEPFY-CJNGLKHVSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@H](OC)C1 ZINC001212323633 767216899 /nfs/dbraw/zinc/21/68/99/767216899.db2.gz XZGIXWBYUBHKCI-CHWSQXEVSA-N 1 1 344.362 0.910 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@H](OC)C1 ZINC001212323633 767216901 /nfs/dbraw/zinc/21/69/01/767216901.db2.gz XZGIXWBYUBHKCI-CHWSQXEVSA-N 1 1 344.362 0.910 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cnn(C)c2N)C1 ZINC001089798465 767223054 /nfs/dbraw/zinc/22/30/54/767223054.db2.gz TVROTXFGXAVXET-TUUVXOQKSA-N 1 1 327.432 0.808 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2ccnn2)C1 ZINC001089804912 767231034 /nfs/dbraw/zinc/23/10/34/767231034.db2.gz XPTVSWOZLRKPDE-QAETUUGQSA-N 1 1 327.432 0.860 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046468064 767244294 /nfs/dbraw/zinc/24/42/94/767244294.db2.gz FRLOIQUEEZTMEX-ZNMIVQPWSA-N 1 1 342.447 0.950 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C(C)(C)C)n1 ZINC001089813562 767266520 /nfs/dbraw/zinc/26/65/20/767266520.db2.gz VHSJKZPGVRMIOV-XQLPTFJDSA-N 1 1 342.447 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001046531338 767282743 /nfs/dbraw/zinc/28/27/43/767282743.db2.gz NEPCRFXVOIKYLO-YOEHRIQHSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001046531338 767282745 /nfs/dbraw/zinc/28/27/45/767282745.db2.gz NEPCRFXVOIKYLO-YOEHRIQHSA-N 1 1 331.420 0.699 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046534794 767285140 /nfs/dbraw/zinc/28/51/40/767285140.db2.gz ADFIPJBPICQEBG-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046539063 767289919 /nfs/dbraw/zinc/28/99/19/767289919.db2.gz NPEGQCUOQLPNHE-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046539063 767289921 /nfs/dbraw/zinc/28/99/21/767289921.db2.gz NPEGQCUOQLPNHE-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046539421 767290494 /nfs/dbraw/zinc/29/04/94/767290494.db2.gz PSNDLUWMCBXBPQ-LPHOPBHVSA-N 1 1 343.402 0.894 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046539421 767290496 /nfs/dbraw/zinc/29/04/96/767290496.db2.gz PSNDLUWMCBXBPQ-LPHOPBHVSA-N 1 1 343.402 0.894 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001046540974 767291990 /nfs/dbraw/zinc/29/19/90/767291990.db2.gz BROPVVPNDLXUJA-YJBOKZPZSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001046540974 767291992 /nfs/dbraw/zinc/29/19/92/767291992.db2.gz BROPVVPNDLXUJA-YJBOKZPZSA-N 1 1 341.415 0.662 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089818577 767296301 /nfs/dbraw/zinc/29/63/01/767296301.db2.gz BCDXHPWQQJHPCA-HZMVEIRTSA-N 1 1 345.443 0.037 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089818592 767296329 /nfs/dbraw/zinc/29/63/29/767296329.db2.gz BCDXHPWQQJHPCA-NXOAAHMSSA-N 1 1 345.443 0.037 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001046549850 767298775 /nfs/dbraw/zinc/29/87/75/767298775.db2.gz ADYLVIGHTOXTSP-KDOFPFPSSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001046549850 767298778 /nfs/dbraw/zinc/29/87/78/767298778.db2.gz ADYLVIGHTOXTSP-KDOFPFPSSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001046549849 767298983 /nfs/dbraw/zinc/29/89/83/767298983.db2.gz ADYLVIGHTOXTSP-KBXCAEBGSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001046549849 767298984 /nfs/dbraw/zinc/29/89/84/767298984.db2.gz ADYLVIGHTOXTSP-KBXCAEBGSA-N 1 1 345.447 0.710 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046588689 767339398 /nfs/dbraw/zinc/33/93/98/767339398.db2.gz QZVDHCFHTLRJEQ-WMLDXEAASA-N 1 1 327.388 0.320 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046588689 767339402 /nfs/dbraw/zinc/33/94/02/767339402.db2.gz QZVDHCFHTLRJEQ-WMLDXEAASA-N 1 1 327.388 0.320 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046589282 767339907 /nfs/dbraw/zinc/33/99/07/767339907.db2.gz UONVCHOHEVSHFP-PBHICJAKSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046589282 767339914 /nfs/dbraw/zinc/33/99/14/767339914.db2.gz UONVCHOHEVSHFP-PBHICJAKSA-N 1 1 345.378 0.459 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn3c(n2)COCC3)C1 ZINC001089826770 767341089 /nfs/dbraw/zinc/34/10/89/767341089.db2.gz KUBMDLPXLMJAFQ-JKQORVJESA-N 1 1 340.427 0.829 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC001089826322 767348810 /nfs/dbraw/zinc/34/88/10/767348810.db2.gz GNASNBLTBAORDS-FZKCQIBNSA-N 1 1 345.447 0.327 20 30 ECEDMO C=CCN1CC[C@H](N2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001046596202 767350081 /nfs/dbraw/zinc/35/00/81/767350081.db2.gz VSEQDXUUSDXBFA-QFBILLFUSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001046601006 767353988 /nfs/dbraw/zinc/35/39/88/767353988.db2.gz XYANGBCOAOTMFP-WBMJQRKESA-N 1 1 335.383 0.530 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001046601006 767353994 /nfs/dbraw/zinc/35/39/94/767353994.db2.gz XYANGBCOAOTMFP-WBMJQRKESA-N 1 1 335.383 0.530 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nccn3ccnc13)CO2 ZINC001053930032 767390147 /nfs/dbraw/zinc/39/01/47/767390147.db2.gz MZLGPEMPEDXXPV-CYBMUJFWSA-N 1 1 327.388 0.879 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)nc(C)c1F ZINC001106154847 767391474 /nfs/dbraw/zinc/39/14/74/767391474.db2.gz PGKWUNVIIYRLAF-KBPBESRZSA-N 1 1 349.410 0.219 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)nc(C)c1F ZINC001106154847 767391485 /nfs/dbraw/zinc/39/14/85/767391485.db2.gz PGKWUNVIIYRLAF-KBPBESRZSA-N 1 1 349.410 0.219 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1C(=O)CCC1=O ZINC001089832911 767397669 /nfs/dbraw/zinc/39/76/69/767397669.db2.gz BPDIKQCMHUCQAS-JJXSEGSLSA-N 1 1 345.443 0.880 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1C(=O)CCC1=O ZINC001089834778 767413209 /nfs/dbraw/zinc/41/32/09/767413209.db2.gz SCMVXWYYYFOOES-JONQDZQNSA-N 1 1 343.427 0.328 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000995013258 767424014 /nfs/dbraw/zinc/42/40/14/767424014.db2.gz RIBDULCXRBDECO-HIFRSBDPSA-N 1 1 348.403 0.268 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccn(CCOC)n2)C1 ZINC001089837037 767432575 /nfs/dbraw/zinc/43/25/75/767432575.db2.gz XKYCKYNHYKENKQ-OVWQWFNUSA-N 1 1 342.443 0.945 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)s1)CO2 ZINC001053955448 767444546 /nfs/dbraw/zinc/44/45/46/767444546.db2.gz JNKKLKMFHQCSSO-LLVKDONJSA-N 1 1 335.429 0.996 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001046677011 767462263 /nfs/dbraw/zinc/46/22/63/767462263.db2.gz NIMKUPNFJZFCSQ-AWEZNQCLSA-N 1 1 335.448 0.067 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)ccc1C#N ZINC001106165162 767462587 /nfs/dbraw/zinc/46/25/87/767462587.db2.gz FYYRAVGGWZSKQD-HUUCEWRRSA-N 1 1 331.420 0.635 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001046689474 767486012 /nfs/dbraw/zinc/48/60/12/767486012.db2.gz KVXUDYOAEGWBIW-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001046689474 767486015 /nfs/dbraw/zinc/48/60/15/767486015.db2.gz KVXUDYOAEGWBIW-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001046692048 767492170 /nfs/dbraw/zinc/49/21/70/767492170.db2.gz OCXXVKMRKQTETJ-HUUCEWRRSA-N 1 1 349.475 0.620 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001017039512 767497659 /nfs/dbraw/zinc/49/76/59/767497659.db2.gz YCNZOAKRCJYRPY-LRVUVFPRSA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)C1 ZINC000992730907 767515933 /nfs/dbraw/zinc/51/59/33/767515933.db2.gz NKROGNLEWGJJBO-MDZRGWNJSA-N 1 1 345.443 0.037 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)C1 ZINC000992730907 767515937 /nfs/dbraw/zinc/51/59/37/767515937.db2.gz NKROGNLEWGJJBO-MDZRGWNJSA-N 1 1 345.443 0.037 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001017085242 767568299 /nfs/dbraw/zinc/56/82/99/767568299.db2.gz AEVSNHVDVFDYND-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001054036081 767635587 /nfs/dbraw/zinc/63/55/87/767635587.db2.gz BETALKLDJSOWLZ-RTBURBONSA-N 1 1 341.455 0.883 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cn(C)cn3)C2)C1=O ZINC001007128744 767643267 /nfs/dbraw/zinc/64/32/67/767643267.db2.gz MITSGSPADQQCLX-DZGCQCFKSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cn(C)cn3)C2)C1=O ZINC001007128744 767643271 /nfs/dbraw/zinc/64/32/71/767643271.db2.gz MITSGSPADQQCLX-DZGCQCFKSA-N 1 1 331.420 0.401 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001054049059 767647707 /nfs/dbraw/zinc/64/77/07/767647707.db2.gz PLFGTUGLHXCKFV-DLBZAZTESA-N 1 1 325.412 0.689 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001054049059 767647709 /nfs/dbraw/zinc/64/77/09/767647709.db2.gz PLFGTUGLHXCKFV-DLBZAZTESA-N 1 1 325.412 0.689 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001054058976 767655592 /nfs/dbraw/zinc/65/55/92/767655592.db2.gz CIDJEXSWEDBLBP-OALUTQOASA-N 1 1 341.455 0.883 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001054058976 767655597 /nfs/dbraw/zinc/65/55/97/767655597.db2.gz CIDJEXSWEDBLBP-OALUTQOASA-N 1 1 341.455 0.883 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001054061425 767659895 /nfs/dbraw/zinc/65/98/95/767659895.db2.gz ZPLIGYXOIPXYRZ-HZPDHXFCSA-N 1 1 349.456 0.407 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001054061425 767659898 /nfs/dbraw/zinc/65/98/98/767659898.db2.gz ZPLIGYXOIPXYRZ-HZPDHXFCSA-N 1 1 349.456 0.407 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001054111733 767702291 /nfs/dbraw/zinc/70/22/91/767702291.db2.gz BLNWKRDVBDJLAB-SCLBCKFNSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3csnn3)C2)C1=O ZINC001046518018 767716699 /nfs/dbraw/zinc/71/66/99/767716699.db2.gz GWDYWXDTTLGFIM-IUODEOHRSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3csnn3)C2)C1=O ZINC001046518018 767716701 /nfs/dbraw/zinc/71/67/01/767716701.db2.gz GWDYWXDTTLGFIM-IUODEOHRSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3csnn3)C2)C1=O ZINC001046518019 767716888 /nfs/dbraw/zinc/71/68/88/767716888.db2.gz GWDYWXDTTLGFIM-SWLSCSKDSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3csnn3)C2)C1=O ZINC001046518019 767716891 /nfs/dbraw/zinc/71/68/91/767716891.db2.gz GWDYWXDTTLGFIM-SWLSCSKDSA-N 1 1 335.433 0.519 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)S(C)(=O)=O)C2 ZINC001054153780 767749143 /nfs/dbraw/zinc/74/91/43/767749143.db2.gz ZJOUGHYVKQINNB-HOCLYGCPSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)S(C)(=O)=O)C2 ZINC001054153780 767749148 /nfs/dbraw/zinc/74/91/48/767749148.db2.gz ZJOUGHYVKQINNB-HOCLYGCPSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001054154309 767750233 /nfs/dbraw/zinc/75/02/33/767750233.db2.gz CIKWMOZAGFKIFZ-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3cnon3)C2)C1=O ZINC001017235679 767751843 /nfs/dbraw/zinc/75/18/43/767751843.db2.gz JODNJTZINZUZQO-HIFRSBDPSA-N 1 1 347.419 0.641 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)c1 ZINC001054193634 767793274 /nfs/dbraw/zinc/79/32/74/767793274.db2.gz BJARBJLEWFERNI-SFHVURJKSA-N 1 1 326.400 0.476 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3nnnn3CC1)C2 ZINC001054201962 767799865 /nfs/dbraw/zinc/79/98/65/767799865.db2.gz UGGDANKJDRMZNU-YJBOKZPZSA-N 1 1 342.447 0.573 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@]3(CC[N@H+](CCCO)C3)C2)nn1 ZINC001054210656 767806819 /nfs/dbraw/zinc/80/68/19/767806819.db2.gz UHTXOCKQDLLPPI-QGZVFWFLSA-N 1 1 333.436 0.775 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)nn1 ZINC001054210673 767808046 /nfs/dbraw/zinc/80/80/46/767808046.db2.gz UPYJDKMMIGTRQP-CXAGYDPISA-N 1 1 346.435 0.266 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)[C@@H](O)C1 ZINC001083717923 767817034 /nfs/dbraw/zinc/81/70/34/767817034.db2.gz UXLMCVNPVDQMQQ-KFWWJZLASA-N 1 1 337.464 0.761 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001054236645 767846054 /nfs/dbraw/zinc/84/60/54/767846054.db2.gz LJZIVVGEBWTAIF-RDTXWAMCSA-N 1 1 348.447 0.865 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1nccnc1C(N)=O)C2 ZINC001054238462 767849080 /nfs/dbraw/zinc/84/90/80/767849080.db2.gz VKTJZUSFKORFCS-KRWDZBQOSA-N 1 1 327.388 0.137 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccncc2C#N)C1 ZINC001106539510 768418939 /nfs/dbraw/zinc/41/89/39/768418939.db2.gz NNVNXSXRUGKKHJ-YOEHRIQHSA-N 1 1 345.447 0.791 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccncc2C#N)C1 ZINC001106539510 768418944 /nfs/dbraw/zinc/41/89/44/768418944.db2.gz NNVNXSXRUGKKHJ-YOEHRIQHSA-N 1 1 345.447 0.791 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993200692 768455993 /nfs/dbraw/zinc/45/59/93/768455993.db2.gz NXGXHENVHULUBI-IUODEOHRSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993200692 768455998 /nfs/dbraw/zinc/45/59/98/768455998.db2.gz NXGXHENVHULUBI-IUODEOHRSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001055251945 768711572 /nfs/dbraw/zinc/71/15/72/768711572.db2.gz ORZWZZYSBJEKFQ-JONQDZQNSA-N 1 1 335.448 0.589 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001055285257 768737891 /nfs/dbraw/zinc/73/78/91/768737891.db2.gz SFOOUNDVKDURPE-OKILXGFUSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(N2CCOCC2)CCC1 ZINC001018124731 768765490 /nfs/dbraw/zinc/76/54/90/768765490.db2.gz SNNDMCQWSCDBFC-CALCHBBNSA-N 1 1 331.460 0.940 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(N2CCOCC2)CCC1 ZINC001018124731 768765495 /nfs/dbraw/zinc/76/54/95/768765495.db2.gz SNNDMCQWSCDBFC-CALCHBBNSA-N 1 1 331.460 0.940 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001055329267 768786951 /nfs/dbraw/zinc/78/69/51/768786951.db2.gz LRQKWKJVMAWAPN-ZACQAIPSSA-N 1 1 331.460 0.904 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001055340643 768797862 /nfs/dbraw/zinc/79/78/62/768797862.db2.gz UDHZCWTWWLCSAF-OAGGEKHMSA-N 1 1 335.448 0.283 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001055345423 768803407 /nfs/dbraw/zinc/80/34/07/768803407.db2.gz FIOQDXDMJAJFGR-IYBDPMFKSA-N 1 1 346.431 0.701 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)C1 ZINC001055361864 768814147 /nfs/dbraw/zinc/81/41/47/768814147.db2.gz BUWIXKFOLFYXSP-KQTLUZQSSA-N 1 1 340.431 0.916 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993346822 768833946 /nfs/dbraw/zinc/83/39/46/768833946.db2.gz HMLZPMAVSLBCCN-RISCZKNCSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993346822 768833959 /nfs/dbraw/zinc/83/39/59/768833959.db2.gz HMLZPMAVSLBCCN-RISCZKNCSA-N 1 1 345.432 0.776 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H]1C ZINC000993356429 768858364 /nfs/dbraw/zinc/85/83/64/768858364.db2.gz WVOWRGQMRJMTFE-KGLIPLIRSA-N 1 1 333.432 0.764 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]21 ZINC001042063458 782701996 /nfs/dbraw/zinc/70/19/96/782701996.db2.gz XFRDYMSAEPIVIJ-UONOGXRCSA-N 1 1 333.432 0.880 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H]1C ZINC000993370511 768898012 /nfs/dbraw/zinc/89/80/12/768898012.db2.gz WEIHFMUIQUKWNS-ZIAGYGMSSA-N 1 1 332.452 0.963 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC000993371946 768902324 /nfs/dbraw/zinc/90/23/24/768902324.db2.gz ZEAHWMNDKNLLAB-KBPBESRZSA-N 1 1 332.452 0.963 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001106773184 768912562 /nfs/dbraw/zinc/91/25/62/768912562.db2.gz KKQXSDZLHJRHPX-CQSZACIVSA-N 1 1 332.408 0.329 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001106773184 768912568 /nfs/dbraw/zinc/91/25/68/768912568.db2.gz KKQXSDZLHJRHPX-CQSZACIVSA-N 1 1 332.408 0.329 20 30 ECEDMO CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001106773301 768914259 /nfs/dbraw/zinc/91/42/59/768914259.db2.gz PHABKCZSDNCFNY-OAHLLOKOSA-N 1 1 346.435 0.638 20 30 ECEDMO CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001106773301 768914264 /nfs/dbraw/zinc/91/42/64/768914264.db2.gz PHABKCZSDNCFNY-OAHLLOKOSA-N 1 1 346.435 0.638 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001042068183 782710094 /nfs/dbraw/zinc/71/00/94/782710094.db2.gz WFMNBHNGHHRUCS-ZIAGYGMSSA-N 1 1 330.436 0.988 20 30 ECEDMO CS[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055528915 769012304 /nfs/dbraw/zinc/01/23/04/769012304.db2.gz KFIPOBKHWDDIDB-NWDGAFQWSA-N 1 1 326.466 0.594 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993424814 769043002 /nfs/dbraw/zinc/04/30/02/769043002.db2.gz ZQVJMDPXMNDKQJ-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO Cc1ocnc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC001055535834 769043073 /nfs/dbraw/zinc/04/30/73/769043073.db2.gz KIMWLLXUVPQPRT-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO CCc1ocnc1C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055548063 769085608 /nfs/dbraw/zinc/08/56/08/769085608.db2.gz CTICVDAFJXMYQN-GFCCVEGCSA-N 1 1 347.419 0.707 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(OC)ncnc1OC ZINC001018341321 769134946 /nfs/dbraw/zinc/13/49/46/769134946.db2.gz UYZJPDFAERXAKL-BETUJISGSA-N 1 1 330.388 0.806 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(OC)ncnc1OC ZINC001018341321 769134949 /nfs/dbraw/zinc/13/49/49/769134949.db2.gz UYZJPDFAERXAKL-BETUJISGSA-N 1 1 330.388 0.806 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2cnnn2CC)CC1 ZINC001055572095 769147948 /nfs/dbraw/zinc/14/79/48/769147948.db2.gz QSVBLERKRJMRGQ-UHFFFAOYSA-N 1 1 348.451 0.575 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)C(=O)C(C)(C)C)CC1 ZINC001055573243 769152684 /nfs/dbraw/zinc/15/26/84/769152684.db2.gz TXIYBASRAYHYTH-UHFFFAOYSA-N 1 1 349.475 0.958 20 30 ECEDMO Cc1nc(C(=O)NC2CC[NH+](CCNC(=O)C#CC(C)C)CC2)co1 ZINC001055573203 769153081 /nfs/dbraw/zinc/15/30/81/769153081.db2.gz RNMNLGKHFBMJCW-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO Cc1c[nH]nc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC001055573989 769156238 /nfs/dbraw/zinc/15/62/38/769156238.db2.gz LKAGPRUZYAPFSC-UHFFFAOYSA-N 1 1 345.447 0.688 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2cnns2)CC1 ZINC001055573979 769156437 /nfs/dbraw/zinc/15/64/37/769156437.db2.gz LCEMNDQSIGBCSM-UHFFFAOYSA-N 1 1 347.444 0.262 20 30 ECEDMO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(CCNC(=O)C#CC3CC3)CC2)C1 ZINC001055573895 769156461 /nfs/dbraw/zinc/15/64/61/769156461.db2.gz KMOHONMAJCSMAU-MRXNPFEDSA-N 1 1 346.475 0.048 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2CCN(CCNC(=O)C#CC3CC3)CC2)C1 ZINC001055573895 769156474 /nfs/dbraw/zinc/15/64/74/769156474.db2.gz KMOHONMAJCSMAU-MRXNPFEDSA-N 1 1 346.475 0.048 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[NH+]2CCC(NC(C)=O)CC2)nn1 ZINC001055580500 769178418 /nfs/dbraw/zinc/17/84/18/769178418.db2.gz LTWXEDJJPDCDRR-UHFFFAOYSA-N 1 1 334.424 0.185 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C ZINC000993503104 769184425 /nfs/dbraw/zinc/18/44/25/769184425.db2.gz AWXCADSFMLDRHP-JKSUJKDBSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C#CC3CC3)C2)CC1 ZINC001018363427 769202275 /nfs/dbraw/zinc/20/22/75/769202275.db2.gz MEQOCNUPVHAPOB-SFHVURJKSA-N 1 1 341.455 0.806 20 30 ECEDMO COCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001018364335 769205744 /nfs/dbraw/zinc/20/57/44/769205744.db2.gz RZUCYRTUQBKKKK-LSDHHAIUSA-N 1 1 336.436 0.175 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042084292 782733770 /nfs/dbraw/zinc/73/37/70/782733770.db2.gz UMFCJVNYNJOXPS-UMVBOHGHSA-N 1 1 328.420 0.631 20 30 ECEDMO COc1nc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)co1 ZINC001055602115 769234985 /nfs/dbraw/zinc/23/49/85/769234985.db2.gz PVVIZURLMUJRCM-LLVKDONJSA-N 1 1 349.391 0.153 20 30 ECEDMO COc1ccc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001055623446 769283264 /nfs/dbraw/zinc/28/32/64/769283264.db2.gz IBJVYTUVPRUJGB-LBPRGKRZSA-N 1 1 348.403 0.758 20 30 ECEDMO Cc1cc(C(=O)NC2CC[NH+](CCNC(=O)[C@H](C)C#N)CC2)no1 ZINC001055629876 769299193 /nfs/dbraw/zinc/29/91/93/769299193.db2.gz MWEAAPMBCSDYSH-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO Cc1nocc1C(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055631268 769301626 /nfs/dbraw/zinc/30/16/26/769301626.db2.gz DWBUMLAIULEQRW-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO CCC[N@H+](C)CC(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1 ZINC001055631292 769302281 /nfs/dbraw/zinc/30/22/81/769302281.db2.gz FQVCQUMTEAGNIG-CQSZACIVSA-N 1 1 337.468 0.185 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1 ZINC001055631292 769302290 /nfs/dbraw/zinc/30/22/90/769302290.db2.gz FQVCQUMTEAGNIG-CQSZACIVSA-N 1 1 337.468 0.185 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000993569935 769336442 /nfs/dbraw/zinc/33/64/42/769336442.db2.gz OGMGXTARDXGMIV-CABCVRRESA-N 1 1 333.432 0.533 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC000993619661 769372023 /nfs/dbraw/zinc/37/20/23/769372023.db2.gz GZTMLHVLMFDPOP-TZMCWYRMSA-N 1 1 325.376 0.273 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC000993619661 769372033 /nfs/dbraw/zinc/37/20/33/769372033.db2.gz GZTMLHVLMFDPOP-TZMCWYRMSA-N 1 1 325.376 0.273 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C ZINC000993593039 769384466 /nfs/dbraw/zinc/38/44/66/769384466.db2.gz XFWDXLPOUHWQFJ-CABCVRRESA-N 1 1 346.431 0.496 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC000993654894 769433440 /nfs/dbraw/zinc/43/34/40/769433440.db2.gz CDPUFDXOWYHYQA-DGCLKSJQSA-N 1 1 342.407 0.300 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC000993654894 769433445 /nfs/dbraw/zinc/43/34/45/769433445.db2.gz CDPUFDXOWYHYQA-DGCLKSJQSA-N 1 1 342.407 0.300 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C ZINC000993677311 769469341 /nfs/dbraw/zinc/46/93/41/769469341.db2.gz SVWQKIIKRZTKTK-DGCLKSJQSA-N 1 1 342.407 0.300 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ccon2)[C@H](C)C1 ZINC000993791325 769575952 /nfs/dbraw/zinc/57/59/52/769575952.db2.gz FOVZSSZWUMUANX-FMKPAKJESA-N 1 1 344.415 0.597 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ccon2)[C@H](C)C1 ZINC000993791325 769575955 /nfs/dbraw/zinc/57/59/55/769575955.db2.gz FOVZSSZWUMUANX-FMKPAKJESA-N 1 1 344.415 0.597 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H]1C ZINC000993771464 769594175 /nfs/dbraw/zinc/59/41/75/769594175.db2.gz LYAGRSDXWBESDW-JQWIXIFHSA-N 1 1 341.437 0.216 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC001078358342 782768303 /nfs/dbraw/zinc/76/83/03/782768303.db2.gz ODQDDIRPJCKFAT-KGLIPLIRSA-N 1 1 348.451 0.900 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000993813632 769667638 /nfs/dbraw/zinc/66/76/38/769667638.db2.gz DVHVMLCQHJEHJS-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC000993898025 769804505 /nfs/dbraw/zinc/80/45/05/769804505.db2.gz DZCYEUUSIFMCOY-TZMCWYRMSA-N 1 1 334.420 0.243 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000993926475 769830973 /nfs/dbraw/zinc/83/09/73/769830973.db2.gz BWOPUMWQNRSXGF-DOMZBBRYSA-N 1 1 334.420 0.116 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000993931712 769846034 /nfs/dbraw/zinc/84/60/34/769846034.db2.gz NUZQOXCNMNBSSY-OIISXLGYSA-N 1 1 349.475 0.882 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001055825582 769866971 /nfs/dbraw/zinc/86/69/71/769866971.db2.gz KRPUODCALOFSMK-QGZVFWFLSA-N 1 1 325.453 0.763 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001042109507 782789797 /nfs/dbraw/zinc/78/97/97/782789797.db2.gz IWVBRVACGHSMFH-SIIHOXLZSA-N 1 1 340.431 0.775 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)c1 ZINC000993953798 769938934 /nfs/dbraw/zinc/93/89/34/769938934.db2.gz PZPMAISMFQRDKU-CQSZACIVSA-N 1 1 338.371 0.601 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]21 ZINC001042114270 782795131 /nfs/dbraw/zinc/79/51/31/782795131.db2.gz IXGNTVBUXJRBGJ-IAGOWNOFSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CN3CCOCC3)C[C@H]21 ZINC001042114270 782795133 /nfs/dbraw/zinc/79/51/33/782795133.db2.gz IXGNTVBUXJRBGJ-IAGOWNOFSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CN3CCOCC3)C[C@H]21 ZINC001042114270 782795137 /nfs/dbraw/zinc/79/51/37/782795137.db2.gz IXGNTVBUXJRBGJ-IAGOWNOFSA-N 1 1 333.476 0.901 20 30 ECEDMO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)o1 ZINC001018831475 770033895 /nfs/dbraw/zinc/03/38/95/770033895.db2.gz QFNNRVUVUHNCFX-ZDUSSCGKSA-N 1 1 336.413 0.787 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 ZINC001042122137 782806510 /nfs/dbraw/zinc/80/65/10/782806510.db2.gz MMEQIIXKRNHJHM-GJZGRUSLSA-N 1 1 333.436 0.471 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 ZINC001042121702 782806743 /nfs/dbraw/zinc/80/67/43/782806743.db2.gz JKHRCEWMGLKHCX-STQMWFEESA-N 1 1 339.827 0.257 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 ZINC001042121702 782806737 /nfs/dbraw/zinc/80/67/37/782806737.db2.gz JKHRCEWMGLKHCX-STQMWFEESA-N 1 1 339.827 0.257 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1 ZINC000994097043 770132138 /nfs/dbraw/zinc/13/21/38/770132138.db2.gz XGGIFGAYAUQVMF-OIISXLGYSA-N 1 1 347.459 0.331 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1 ZINC000994097043 770132144 /nfs/dbraw/zinc/13/21/44/770132144.db2.gz XGGIFGAYAUQVMF-OIISXLGYSA-N 1 1 347.459 0.331 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001018880231 770178980 /nfs/dbraw/zinc/17/89/80/770178980.db2.gz OUTTXJJTIHWEEK-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C ZINC000994164459 770233283 /nfs/dbraw/zinc/23/32/83/770233283.db2.gz GUOKMGKDIBJCBS-ZIAGYGMSSA-N 1 1 336.436 0.864 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001055932951 770269866 /nfs/dbraw/zinc/26/98/66/770269866.db2.gz IFGFGAMSJLSIAF-MAUKXSAKSA-N 1 1 335.448 0.067 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055939234 770294389 /nfs/dbraw/zinc/29/43/89/770294389.db2.gz UWMRDPKQXRUDTH-GOSISDBHSA-N 1 1 335.448 0.211 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)no1 ZINC001055945474 770313318 /nfs/dbraw/zinc/31/33/18/770313318.db2.gz MGFDBTNOGBYPIV-UHFFFAOYSA-N 1 1 341.375 0.360 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC000994217772 770323895 /nfs/dbraw/zinc/32/38/95/770323895.db2.gz XSWWDXYIOZZOOH-CHWSQXEVSA-N 1 1 344.419 0.967 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001055953235 770345282 /nfs/dbraw/zinc/34/52/82/770345282.db2.gz ULOGTCSSWJFYOL-SFHVURJKSA-N 1 1 344.415 0.075 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001055953513 770346956 /nfs/dbraw/zinc/34/69/56/770346956.db2.gz FJBWJTMJLCHVNV-MAUKXSAKSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055953637 770347858 /nfs/dbraw/zinc/34/78/58/770347858.db2.gz HDGJMWFIVCPZCW-LPHOPBHVSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055966553 770390840 /nfs/dbraw/zinc/39/08/40/770390840.db2.gz ISLDAQAZTGLWJV-RKVPGOIHSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@@H]21 ZINC001042132598 782827711 /nfs/dbraw/zinc/82/77/11/782827711.db2.gz DYOXEVOXUJYFAY-DOMZBBRYSA-N 1 1 340.383 0.582 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)[C@@H]2C)nc1 ZINC000994252389 770440807 /nfs/dbraw/zinc/44/08/07/770440807.db2.gz LHPGNZRRFRNBCE-HIFRSBDPSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)[C@@H]2C)nc1 ZINC000994252389 770440810 /nfs/dbraw/zinc/44/08/10/770440810.db2.gz LHPGNZRRFRNBCE-HIFRSBDPSA-N 1 1 328.416 0.734 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(CC)n(C)n3)C2)nn1 ZINC001098798291 770469669 /nfs/dbraw/zinc/46/96/69/770469669.db2.gz UXVLAFLNJKJRPN-OAHLLOKOSA-N 1 1 343.435 0.937 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001055991142 770476840 /nfs/dbraw/zinc/47/68/40/770476840.db2.gz HWICSNLPNRULMX-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001055991142 770476849 /nfs/dbraw/zinc/47/68/49/770476849.db2.gz HWICSNLPNRULMX-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2noc(C)n2)C1 ZINC001018985860 770484358 /nfs/dbraw/zinc/48/43/58/770484358.db2.gz JLRJTKXJTJTQIW-QEJZJMRPSA-N 1 1 331.420 0.727 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2noc(C)n2)C1 ZINC001018985860 770484362 /nfs/dbraw/zinc/48/43/62/770484362.db2.gz JLRJTKXJTJTQIW-QEJZJMRPSA-N 1 1 331.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(C)n2CC)C1 ZINC001018986248 770485675 /nfs/dbraw/zinc/48/56/75/770485675.db2.gz WXALJNSAQQXGJT-HOTGVXAUSA-N 1 1 344.463 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(C)n2CC)C1 ZINC001018986248 770485678 /nfs/dbraw/zinc/48/56/78/770485678.db2.gz WXALJNSAQQXGJT-HOTGVXAUSA-N 1 1 344.463 0.395 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001019011705 770564397 /nfs/dbraw/zinc/56/43/97/770564397.db2.gz UVJHORIZBBRXLD-OAHLLOKOSA-N 1 1 329.444 0.803 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2ncc(C#N)cc2F)CC1 ZINC001056020435 770576515 /nfs/dbraw/zinc/57/65/15/770576515.db2.gz QGBHYPHCRGHAJJ-GXTWGEPZSA-N 1 1 331.395 0.939 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001056020712 770578691 /nfs/dbraw/zinc/57/86/91/770578691.db2.gz VTXUFHHPGWZEEO-SWLSCSKDSA-N 1 1 328.420 0.503 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@@H]1C ZINC000994295951 770589096 /nfs/dbraw/zinc/58/90/96/770589096.db2.gz OWCMCGQQBREFNV-WCQYABFASA-N 1 1 325.372 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@@H]1C ZINC000994295951 770589100 /nfs/dbraw/zinc/58/91/00/770589100.db2.gz OWCMCGQQBREFNV-WCQYABFASA-N 1 1 325.372 0.946 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CN1CC(=O)N(C)C1=O ZINC001099304939 770630104 /nfs/dbraw/zinc/63/01/04/770630104.db2.gz UYTOWMAEIAGIJI-AWEZNQCLSA-N 1 1 348.447 0.511 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@@H]21 ZINC001042151936 782857640 /nfs/dbraw/zinc/85/76/40/782857640.db2.gz BNDOEIJREFWDPQ-ZFWWWQNUSA-N 1 1 329.400 0.943 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)CC[N@H+]1C ZINC001056054769 770690993 /nfs/dbraw/zinc/69/09/93/770690993.db2.gz QXAPDRVAJIUEPL-LSDHHAIUSA-N 1 1 328.420 0.727 20 30 ECEDMO CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001078398881 782870758 /nfs/dbraw/zinc/87/07/58/782870758.db2.gz UWPBHXPXLSYRRO-MRXNPFEDSA-N 1 1 345.447 0.809 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@H]21 ZINC001042159768 782871711 /nfs/dbraw/zinc/87/17/11/782871711.db2.gz HCLKBDUGFNFZCC-CZUORRHYSA-N 1 1 339.399 0.501 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cncc(-n4ccnn4)c3)C[C@@H]21 ZINC001042159914 782872209 /nfs/dbraw/zinc/87/22/09/782872209.db2.gz IAEWIDUPMBTVCX-YOEHRIQHSA-N 1 1 336.399 0.832 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC(C)C)C1 ZINC001056123037 770875795 /nfs/dbraw/zinc/87/57/95/770875795.db2.gz KXJFOWPTBCTMHY-SFHVURJKSA-N 1 1 337.464 0.457 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C ZINC000994491798 770897571 /nfs/dbraw/zinc/89/75/71/770897571.db2.gz YNQSTMKPKBHFQX-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C)C2 ZINC001019144277 770917632 /nfs/dbraw/zinc/91/76/32/770917632.db2.gz HHHPAAVVEKSFIP-JYJNAYRXSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C)C2 ZINC001019144277 770917634 /nfs/dbraw/zinc/91/76/34/770917634.db2.gz HHHPAAVVEKSFIP-JYJNAYRXSA-N 1 1 329.444 0.801 20 30 ECEDMO C#Cc1cccc(NC(=O)CN2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001031385463 770998058 /nfs/dbraw/zinc/99/80/58/770998058.db2.gz FMNZMNVVPQGOFN-HNNXBMFYSA-N 1 1 340.427 0.359 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001056180996 771000687 /nfs/dbraw/zinc/00/06/87/771000687.db2.gz DBFSOWKCZNHQGD-QXSJWSMHSA-N 1 1 341.415 0.143 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001056180996 771000692 /nfs/dbraw/zinc/00/06/92/771000692.db2.gz DBFSOWKCZNHQGD-QXSJWSMHSA-N 1 1 341.415 0.143 20 30 ECEDMO N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCc3[nH+]ccn32)cn1 ZINC001056322657 771124201 /nfs/dbraw/zinc/12/42/01/771124201.db2.gz XDAHCQDTJAIWGL-QDEZUTFSSA-N 1 1 349.398 0.673 20 30 ECEDMO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCc3[nH+]ccn32)n1 ZINC001056322743 771124821 /nfs/dbraw/zinc/12/48/21/771124821.db2.gz XIQUAWYAIZEPPR-PFHKOEEOSA-N 1 1 349.398 0.673 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC(C)(C)C1 ZINC001089428285 771143574 /nfs/dbraw/zinc/14/35/74/771143574.db2.gz WKMDOWQQOXTPDJ-CQSZACIVSA-N 1 1 333.436 0.212 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)CC[N@H+]1C ZINC001056378689 771200110 /nfs/dbraw/zinc/20/01/10/771200110.db2.gz DDQCGOQJXQRUKA-AORAQPTISA-N 1 1 340.431 0.629 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)C1 ZINC001056411022 771242673 /nfs/dbraw/zinc/24/26/73/771242673.db2.gz VVLYAJRJXJVNFH-FJZAXULXSA-N 1 1 326.404 0.241 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001056412001 771243688 /nfs/dbraw/zinc/24/36/88/771243688.db2.gz FURQOILQMZKLHT-CVGURMSBSA-N 1 1 326.404 0.383 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001056412357 771244508 /nfs/dbraw/zinc/24/45/08/771244508.db2.gz HWMYQHYWMORSGJ-FJZAXULXSA-N 1 1 326.404 0.383 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001056460616 771295548 /nfs/dbraw/zinc/29/55/48/771295548.db2.gz HAHNJHACLAXBLA-CTASWTNQSA-N 1 1 326.404 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)ncc3C#N)C[C@H]21 ZINC001056466743 771304349 /nfs/dbraw/zinc/30/43/49/771304349.db2.gz DPDRPPAAPUYZOP-MJQMVNBJSA-N 1 1 349.438 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)ncc3C#N)C[C@H]21 ZINC001056466743 771304352 /nfs/dbraw/zinc/30/43/52/771304352.db2.gz DPDRPPAAPUYZOP-MJQMVNBJSA-N 1 1 349.438 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccnc(F)c3)C2)C1=O ZINC001031573869 771318649 /nfs/dbraw/zinc/31/86/49/771318649.db2.gz BOTWOXSVIWKSNT-CQSZACIVSA-N 1 1 332.379 0.669 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCOCCNc2cnc(C#N)cn2)C1 ZINC001127486668 771335462 /nfs/dbraw/zinc/33/54/62/771335462.db2.gz PDUAFDLTONZMCJ-AWEZNQCLSA-N 1 1 346.435 0.577 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(CC)n3C)C2)nn1 ZINC001019483089 771346899 /nfs/dbraw/zinc/34/68/99/771346899.db2.gz GXMWUJOOCABKPA-LBPRGKRZSA-N 1 1 344.423 0.159 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001019488046 771351959 /nfs/dbraw/zinc/35/19/59/771351959.db2.gz OPMKTSDUYQYZOX-YDHLFZDLSA-N 1 1 334.424 0.272 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnccc3C)C2)C1=O ZINC001031595539 771369386 /nfs/dbraw/zinc/36/93/86/771369386.db2.gz XACXRJPAXKEDMX-INIZCTEOSA-N 1 1 328.416 0.839 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001031595563 771369690 /nfs/dbraw/zinc/36/96/90/771369690.db2.gz ZABHCXQOVKQBOL-QGZVFWFLSA-N 1 1 346.406 0.576 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001031595563 771369694 /nfs/dbraw/zinc/36/96/94/771369694.db2.gz ZABHCXQOVKQBOL-QGZVFWFLSA-N 1 1 346.406 0.576 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2C[NH+]([C@@H]3CCN(C4CCC4)C3=O)C2)c1 ZINC001031604561 771396848 /nfs/dbraw/zinc/39/68/48/771396848.db2.gz OGWHPDRORHLIEP-MRXNPFEDSA-N 1 1 341.415 0.701 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc3ncccn3n2)CC(C)(C)C1 ZINC001089524167 771399543 /nfs/dbraw/zinc/39/95/43/771399543.db2.gz MWMAZHQWKNQLLM-ZDUSSCGKSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC(C)(C)C1 ZINC001089535846 771411452 /nfs/dbraw/zinc/41/14/52/771411452.db2.gz VJBXOZNCQHSUSH-CYBMUJFWSA-N 1 1 334.420 0.168 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001056630352 771448976 /nfs/dbraw/zinc/44/89/76/771448976.db2.gz BAKWHYRNODOZTQ-YESZJQIVSA-N 1 1 349.475 0.980 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCCO1 ZINC001089548520 771452194 /nfs/dbraw/zinc/45/21/94/771452194.db2.gz MKDDTQKQKHKPBO-HNNXBMFYSA-N 1 1 346.435 0.402 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561155 771494212 /nfs/dbraw/zinc/49/42/12/771494212.db2.gz NLNLVHBJLRXGKC-UONOGXRCSA-N 1 1 341.477 0.308 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC(C)(C)C1 ZINC001089564554 771512065 /nfs/dbraw/zinc/51/20/65/771512065.db2.gz CANLIDHTCYPVLM-ZDUSSCGKSA-N 1 1 346.435 0.007 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089569106 771530058 /nfs/dbraw/zinc/53/00/58/771530058.db2.gz BLZZDZACIIQLJS-KGLIPLIRSA-N 1 1 333.432 0.669 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089569110 771530502 /nfs/dbraw/zinc/53/05/02/771530502.db2.gz BLZZDZACIIQLJS-ZIAGYGMSSA-N 1 1 333.432 0.669 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056702940 771533259 /nfs/dbraw/zinc/53/32/59/771533259.db2.gz FYCOMZWJZSUPOE-ZIAGYGMSSA-N 1 1 328.420 0.656 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001056719906 771553185 /nfs/dbraw/zinc/55/31/85/771553185.db2.gz NWVLZCFRQRGKJT-YESZJQIVSA-N 1 1 349.475 0.816 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001019628748 771629207 /nfs/dbraw/zinc/62/92/07/771629207.db2.gz PSTRIWLPGITOLO-AWEZNQCLSA-N 1 1 328.351 0.749 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056806247 771667404 /nfs/dbraw/zinc/66/74/04/771667404.db2.gz CTGAQZGFCQPGMP-KGLIPLIRSA-N 1 1 328.420 0.657 20 30 ECEDMO Cc1nc(N(C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001056879838 771756914 /nfs/dbraw/zinc/75/69/14/771756914.db2.gz NRPUEDZWTHWIGY-HZPDHXFCSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1nc(N(C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001056879838 771756917 /nfs/dbraw/zinc/75/69/17/771756917.db2.gz NRPUEDZWTHWIGY-HZPDHXFCSA-N 1 1 343.431 0.629 20 30 ECEDMO CN(c1ncc(C#N)cc1F)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001056879921 771756925 /nfs/dbraw/zinc/75/69/25/771756925.db2.gz PNRJFHUVDDRDMA-ZFWWWQNUSA-N 1 1 347.394 0.460 20 30 ECEDMO CN(c1ncc(C#N)cc1F)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001056879921 771756929 /nfs/dbraw/zinc/75/69/29/771756929.db2.gz PNRJFHUVDDRDMA-ZFWWWQNUSA-N 1 1 347.394 0.460 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC)[C@@H]3C2)c1 ZINC001042234719 782965020 /nfs/dbraw/zinc/96/50/20/782965020.db2.gz XVCWZUVDXVKWPT-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC)[C@@H]3C2)c1 ZINC001042234719 782965024 /nfs/dbraw/zinc/96/50/24/782965024.db2.gz XVCWZUVDXVKWPT-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO CN(c1ccc(C#N)nc1)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056940444 771836845 /nfs/dbraw/zinc/83/68/45/771836845.db2.gz QLQFHAOQKVJMJN-QGZVFWFLSA-N 1 1 343.431 0.713 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 ZINC001056989431 771915730 /nfs/dbraw/zinc/91/57/30/771915730.db2.gz PRVRMTCHFMSCAY-ZDUSSCGKSA-N 1 1 325.376 0.591 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)nc3)C2)O1 ZINC001057062154 772018177 /nfs/dbraw/zinc/01/81/77/772018177.db2.gz MKUWUJDZJBKQIQ-XOKHGSTOSA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)nc3)C2)O1 ZINC001057062154 772018183 /nfs/dbraw/zinc/01/81/83/772018183.db2.gz MKUWUJDZJBKQIQ-XOKHGSTOSA-N 1 1 343.431 0.709 20 30 ECEDMO Cc1nsc(N2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1C#N ZINC001057115448 772108749 /nfs/dbraw/zinc/10/87/49/772108749.db2.gz UYCSNCFDQBAMDC-CQSZACIVSA-N 1 1 349.460 0.693 20 30 ECEDMO Cc1nsc(N2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1C#N ZINC001057115448 772108751 /nfs/dbraw/zinc/10/87/51/772108751.db2.gz UYCSNCFDQBAMDC-CQSZACIVSA-N 1 1 349.460 0.693 20 30 ECEDMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C1CC1 ZINC001020091449 772148690 /nfs/dbraw/zinc/14/86/90/772148690.db2.gz VCFKEXIRMATUSD-DLOVCJGASA-N 1 1 340.391 0.819 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]21 ZINC001042254227 782989531 /nfs/dbraw/zinc/98/95/31/782989531.db2.gz JFFFOXRAJUILON-GDBMZVCRSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C)nn1 ZINC001020126879 772190974 /nfs/dbraw/zinc/19/09/74/772190974.db2.gz KUFNSQVGDKXJBN-YDHLFZDLSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)CCCn1cc[nH+]c1C ZINC001057171329 772211830 /nfs/dbraw/zinc/21/18/30/772211830.db2.gz XCHGPSGAHOOFKB-UHFFFAOYSA-N 1 1 336.436 0.875 20 30 ECEDMO C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001057199316 772260209 /nfs/dbraw/zinc/26/02/09/772260209.db2.gz PFCZMODQGVMGFM-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C)C1 ZINC001020202272 772277697 /nfs/dbraw/zinc/27/76/97/772277697.db2.gz PUDDSXJLEWWIHK-WWGRRREGSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057234803 772319374 /nfs/dbraw/zinc/31/93/74/772319374.db2.gz QEEFETYBBJKTKC-AWEZNQCLSA-N 1 1 328.420 0.729 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nnc(C3CC3)o2)C1 ZINC001020250692 772350981 /nfs/dbraw/zinc/35/09/81/772350981.db2.gz LKOHSLFZYNHOKX-KKUMJFAQSA-N 1 1 343.431 0.781 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nnc(C3CC3)o2)C1 ZINC001020250692 772350984 /nfs/dbraw/zinc/35/09/84/772350984.db2.gz LKOHSLFZYNHOKX-KKUMJFAQSA-N 1 1 343.431 0.781 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@H]21 ZINC001042267053 783009016 /nfs/dbraw/zinc/00/90/16/783009016.db2.gz UITNUYZZIHHLAN-GOEBONIOSA-N 1 1 336.399 0.832 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)CSCC#N ZINC001078471138 783013164 /nfs/dbraw/zinc/01/31/64/783013164.db2.gz KLCFRDMUHIWJFF-STQMWFEESA-N 1 1 326.466 0.596 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001078472225 783016547 /nfs/dbraw/zinc/01/65/47/783016547.db2.gz RCNYBUQDMWUXLT-XHSDSOJGSA-N 1 1 335.404 0.973 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C)C1 ZINC001057539263 772734860 /nfs/dbraw/zinc/73/48/60/772734860.db2.gz UNTOAVDQRYMFDF-OAHLLOKOSA-N 1 1 337.464 0.315 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540052 772735092 /nfs/dbraw/zinc/73/50/92/772735092.db2.gz DTTSMGWZXRFCGA-OAHLLOKOSA-N 1 1 337.464 0.457 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(CNc2ccnc(C#N)n2)CC1 ZINC001057542178 772738022 /nfs/dbraw/zinc/73/80/22/772738022.db2.gz MFRMNPKXWNWKCJ-AWEZNQCLSA-N 1 1 342.447 0.905 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CNc2ccnc(C#N)n2)CC1 ZINC001057541638 772738079 /nfs/dbraw/zinc/73/80/79/772738079.db2.gz NERDSJZBKUAVRG-UKRRQHHQSA-N 1 1 342.447 0.618 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CNc2ccnc(C#N)n2)CC1 ZINC001057552877 772748772 /nfs/dbraw/zinc/74/87/72/772748772.db2.gz NVPLOQMEWUULRG-OAHLLOKOSA-N 1 1 342.447 0.905 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057602873 772801223 /nfs/dbraw/zinc/80/12/23/772801223.db2.gz XTBVDNACCMROBM-JSGCOSHPSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057602873 772801225 /nfs/dbraw/zinc/80/12/25/772801225.db2.gz XTBVDNACCMROBM-JSGCOSHPSA-N 1 1 330.392 0.082 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057636688 772844500 /nfs/dbraw/zinc/84/45/00/772844500.db2.gz WZNMSDSJORQBJW-GJZGRUSLSA-N 1 1 325.453 0.478 20 30 ECEDMO N#Cc1cnccc1N[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001057668263 772891887 /nfs/dbraw/zinc/89/18/87/772891887.db2.gz SMZGWJPMKCZVJL-MRXNPFEDSA-N 1 1 343.431 0.500 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057696963 772921265 /nfs/dbraw/zinc/92/12/65/772921265.db2.gz CYKIISJUXLYMCM-HUUCEWRRSA-N 1 1 339.480 0.866 20 30 ECEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001057742359 772959240 /nfs/dbraw/zinc/95/92/40/772959240.db2.gz AOBWUADAHZMBME-KBPBESRZSA-N 1 1 349.435 0.493 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001057821819 773031902 /nfs/dbraw/zinc/03/19/02/773031902.db2.gz UMMSSTLWZLVSQG-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)CC[NH+]2CCOCC2)CCC1 ZINC001076832771 783066394 /nfs/dbraw/zinc/06/63/94/783066394.db2.gz XRJGIKIEVHUPQY-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO C=CCCOCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001057920514 773186151 /nfs/dbraw/zinc/18/61/51/773186151.db2.gz USNLLOPUGNYFJD-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057929026 773204839 /nfs/dbraw/zinc/20/48/39/773204839.db2.gz IFIREDUIXFKRME-AWEZNQCLSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001057945849 773245915 /nfs/dbraw/zinc/24/59/15/773245915.db2.gz JNRIMPXUGJWWOG-JSGCOSHPSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](F)C(C)C ZINC001057962022 773293604 /nfs/dbraw/zinc/29/36/04/773293604.db2.gz DEQWRXZDMJASCX-LSDHHAIUSA-N 1 1 341.427 0.015 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](F)C(C)C ZINC001057962022 773293606 /nfs/dbraw/zinc/29/36/06/773293606.db2.gz DEQWRXZDMJASCX-LSDHHAIUSA-N 1 1 341.427 0.015 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1CCC ZINC001057962301 773294623 /nfs/dbraw/zinc/29/46/23/773294623.db2.gz QDTNKIWRJHGOHJ-ZACQAIPSSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1CCC ZINC001057962301 773294629 /nfs/dbraw/zinc/29/46/29/773294629.db2.gz QDTNKIWRJHGOHJ-ZACQAIPSSA-N 1 1 349.475 0.457 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2cncc(C#N)n2)CC1 ZINC001057972746 773315802 /nfs/dbraw/zinc/31/58/02/773315802.db2.gz UVGKRHJMMPJDIR-OAHLLOKOSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001057974390 773321143 /nfs/dbraw/zinc/32/11/43/773321143.db2.gz VLGVALFRCKQRTM-JKSUJKDBSA-N 1 1 337.464 0.907 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001040608571 783094829 /nfs/dbraw/zinc/09/48/29/783094829.db2.gz FAWZLFANIKCGRM-CRAIPNDOSA-N 1 1 335.448 0.354 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058087027 773508649 /nfs/dbraw/zinc/50/86/49/773508649.db2.gz BAQQLWKZEMEGAA-HIFRSBDPSA-N 1 1 342.447 0.973 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)CC[NH+]1CCOCC1 ZINC001058097348 773531294 /nfs/dbraw/zinc/53/12/94/773531294.db2.gz AVWQGWOXTHMKMQ-UHFFFAOYSA-N 1 1 341.452 0.002 20 30 ECEDMO C=CCC1(C(=O)NCCN(CCO)C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001058110903 773553913 /nfs/dbraw/zinc/55/39/13/773553913.db2.gz BCHQQYPCFZSEJM-UHFFFAOYSA-N 1 1 348.447 0.875 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058164395 773675478 /nfs/dbraw/zinc/67/54/78/773675478.db2.gz QRVMRADQEZIBQT-CYBMUJFWSA-N 1 1 325.376 0.638 20 30 ECEDMO N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001058182016 773719786 /nfs/dbraw/zinc/71/97/86/773719786.db2.gz PEUVKSZFQFVWEJ-KDOFPFPSSA-N 1 1 340.431 0.919 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001058252730 773847467 /nfs/dbraw/zinc/84/74/67/773847467.db2.gz UVGIMAPQMFGBPL-UHFFFAOYSA-N 1 1 349.435 0.169 20 30 ECEDMO C#CCCCCCC(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058256582 773856889 /nfs/dbraw/zinc/85/68/89/773856889.db2.gz BBDIOORKACQZKB-UHFFFAOYSA-N 1 1 339.480 0.849 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)CC[N@H+]1C ZINC001058257856 773859648 /nfs/dbraw/zinc/85/96/48/773859648.db2.gz HJPLAIZDROGXGZ-HZSPNIEDSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ncc(F)cn2)C1 ZINC001058264005 773875956 /nfs/dbraw/zinc/87/59/56/773875956.db2.gz ITEJZFKWOZFPKB-CABCVRRESA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ncc(F)cn2)C1 ZINC001058264005 773875962 /nfs/dbraw/zinc/87/59/62/773875962.db2.gz ITEJZFKWOZFPKB-CABCVRRESA-N 1 1 331.395 0.798 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058288235 773924170 /nfs/dbraw/zinc/92/41/70/773924170.db2.gz WDRINKWFEJNNFY-HUUCEWRRSA-N 1 1 339.480 0.724 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 ZINC001058381777 774069106 /nfs/dbraw/zinc/06/91/06/774069106.db2.gz UFISGGVGDLDFQC-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001058437392 774177727 /nfs/dbraw/zinc/17/77/27/774177727.db2.gz CJKLBCBNBZMUCV-DZGCQCFKSA-N 1 1 336.436 0.587 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058442628 774189640 /nfs/dbraw/zinc/18/96/40/774189640.db2.gz LDUYCRDRVVKKHW-MRXNPFEDSA-N 1 1 337.464 0.459 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001040639973 783157598 /nfs/dbraw/zinc/15/75/98/783157598.db2.gz OKLPTDZMKYOQDO-DZGCQCFKSA-N 1 1 337.387 0.591 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001058463577 774232760 /nfs/dbraw/zinc/23/27/60/774232760.db2.gz CFVUWSWXGBEIQX-GJZGRUSLSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058463583 774232808 /nfs/dbraw/zinc/23/28/08/774232808.db2.gz CJNFUADNELEMOQ-JKSUJKDBSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058463582 774232814 /nfs/dbraw/zinc/23/28/14/774232814.db2.gz CJNFUADNELEMOQ-HZPDHXFCSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001058466103 774238515 /nfs/dbraw/zinc/23/85/15/774238515.db2.gz GHUNGWCVBBACTR-LSDHHAIUSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001058466111 774238891 /nfs/dbraw/zinc/23/88/91/774238891.db2.gz GPMBDZUVZDQBMN-OAHLLOKOSA-N 1 1 327.469 0.866 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058469117 774246133 /nfs/dbraw/zinc/24/61/33/774246133.db2.gz ZHWACSKZDOGILV-GJZGRUSLSA-N 1 1 325.453 0.478 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)no1 ZINC001058484573 774279246 /nfs/dbraw/zinc/27/92/46/774279246.db2.gz WCXIYRLDJYFDGS-LLVKDONJSA-N 1 1 341.375 0.407 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 ZINC001058492495 774296442 /nfs/dbraw/zinc/29/64/42/774296442.db2.gz XOIJNXHRUROMSM-CYBMUJFWSA-N 1 1 325.376 0.557 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ncc(C#N)cc2F)C1 ZINC001058492464 774296607 /nfs/dbraw/zinc/29/66/07/774296607.db2.gz WUQVOCSYBMYNHG-ZDUSSCGKSA-N 1 1 328.351 0.992 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058521071 774353125 /nfs/dbraw/zinc/35/31/25/774353125.db2.gz DRGZWLKAMDVUNU-HZPDHXFCSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058521071 774353132 /nfs/dbraw/zinc/35/31/32/774353132.db2.gz DRGZWLKAMDVUNU-HZPDHXFCSA-N 1 1 343.431 0.757 20 30 ECEDMO Cc1nsc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1C#N ZINC001058588345 774487171 /nfs/dbraw/zinc/48/71/71/774487171.db2.gz XQPVXVHVCNYQIG-SCDSUCTJSA-N 1 1 349.460 0.737 20 30 ECEDMO Cc1nsc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1C#N ZINC001058588345 774487173 /nfs/dbraw/zinc/48/71/73/774487173.db2.gz XQPVXVHVCNYQIG-SCDSUCTJSA-N 1 1 349.460 0.737 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(C)no3)C[C@H]2C)nn1 ZINC001044773454 774595234 /nfs/dbraw/zinc/59/52/34/774595234.db2.gz FURZAJPGKRCJBB-YPMHNXCESA-N 1 1 345.407 0.938 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3cnon3)C[C@H]2C)CC1 ZINC001044870859 774693628 /nfs/dbraw/zinc/69/36/28/774693628.db2.gz HBIVOWPFHFWZGT-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039867545 783205528 /nfs/dbraw/zinc/20/55/28/783205528.db2.gz KVMKFFZJWHATPH-MDZRGWNJSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001044979670 774793771 /nfs/dbraw/zinc/79/37/71/774793771.db2.gz HKEIIJTXKGNDGH-HUUCEWRRSA-N 1 1 339.480 0.866 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(c4ccc(C#N)nn4)[C@H]3C2)C1 ZINC001045041311 774886196 /nfs/dbraw/zinc/88/61/96/774886196.db2.gz NJFQEFHHMPSQGF-DZKIICNBSA-N 1 1 340.431 0.727 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001045058426 774909547 /nfs/dbraw/zinc/90/95/47/774909547.db2.gz DVLDLMNBOXVVCB-AWEZNQCLSA-N 1 1 325.453 0.618 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001045059834 774913567 /nfs/dbraw/zinc/91/35/67/774913567.db2.gz WPQPNRBTDRNSMS-CABCVRRESA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001045148748 775056883 /nfs/dbraw/zinc/05/68/83/775056883.db2.gz VYIISPJKRICSBM-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1 ZINC001040674049 783230327 /nfs/dbraw/zinc/23/03/27/783230327.db2.gz OPTRCDXRYMFAMW-IJEWVQPXSA-N 1 1 340.431 0.727 20 30 ECEDMO CCc1cc(N2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001043886925 775214236 /nfs/dbraw/zinc/21/42/36/775214236.db2.gz NAVQRLDAIBJDBF-CABCVRRESA-N 1 1 340.387 0.527 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(c3ncc(C#N)cc3Cl)C[C@@H]2O)C1 ZINC001043966661 775421104 /nfs/dbraw/zinc/42/11/04/775421104.db2.gz VRVBBLKGSSIIQU-BNOWGMLFSA-N 1 1 349.822 0.224 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044007920 775500293 /nfs/dbraw/zinc/50/02/93/775500293.db2.gz ZLCXRJJITYFHEZ-HUUCEWRRSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001044011557 775509636 /nfs/dbraw/zinc/50/96/36/775509636.db2.gz QYHZNCJPBFBCFO-AWEZNQCLSA-N 1 1 335.448 0.374 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2Cl)[C@@H](n2ccnn2)C1 ZINC001070025838 790369795 /nfs/dbraw/zinc/36/97/95/790369795.db2.gz MPEVUTGHCWHGLV-OLZOCXBDSA-N 1 1 349.826 0.435 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2Cl)[C@@H](n2ccnn2)C1 ZINC001070025838 790369808 /nfs/dbraw/zinc/36/98/08/790369808.db2.gz MPEVUTGHCWHGLV-OLZOCXBDSA-N 1 1 349.826 0.435 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(C#N)n2)C1 ZINC001045534402 775752279 /nfs/dbraw/zinc/75/22/79/775752279.db2.gz NDBXPHCKMVZVAK-RBSFLKMASA-N 1 1 342.447 0.951 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070031485 790392019 /nfs/dbraw/zinc/39/20/19/790392019.db2.gz AXOKJZBMDGZAGP-CVEARBPZSA-N 1 1 341.419 0.803 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070031485 790392023 /nfs/dbraw/zinc/39/20/23/790392023.db2.gz AXOKJZBMDGZAGP-CVEARBPZSA-N 1 1 341.419 0.803 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001045585947 775837072 /nfs/dbraw/zinc/83/70/72/775837072.db2.gz BNCNNVJFOJYVJY-GFCCVEGCSA-N 1 1 349.884 0.744 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)CCC)C2)CC1 ZINC001044299109 776092131 /nfs/dbraw/zinc/09/21/31/776092131.db2.gz VPWMTHXIWXMUBI-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001044409330 776283007 /nfs/dbraw/zinc/28/30/07/776283007.db2.gz CENPJCWEHGZUBD-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001044478233 776339461 /nfs/dbraw/zinc/33/94/61/776339461.db2.gz CKNAPWQZRUOQJP-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@@H]2O)c1 ZINC001044509719 776374843 /nfs/dbraw/zinc/37/48/43/776374843.db2.gz KZWIUFTYHZXGFS-CVEARBPZSA-N 1 1 337.383 0.449 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001044560188 776440256 /nfs/dbraw/zinc/44/02/56/776440256.db2.gz RIWARJVOCIDTHZ-MNOVXSKESA-N 1 1 328.380 0.193 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@@H]2n2ccnn2)nn1 ZINC001070051812 790457559 /nfs/dbraw/zinc/45/75/59/790457559.db2.gz QJUNKDUMAIFEMI-HIFRSBDPSA-N 1 1 344.423 0.367 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079648333 776607012 /nfs/dbraw/zinc/60/70/12/776607012.db2.gz PHWSHOCAYUXBEC-KMUNFCNLSA-N 1 1 346.362 0.742 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079648333 776607016 /nfs/dbraw/zinc/60/70/16/776607016.db2.gz PHWSHOCAYUXBEC-KMUNFCNLSA-N 1 1 346.362 0.742 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn3ccccc23)[C@@H](n2ccnn2)C1 ZINC001070055935 790467972 /nfs/dbraw/zinc/46/79/72/790467972.db2.gz YKSJCTODGMDLTP-ZBFHGGJFSA-N 1 1 337.387 0.767 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn3ccccc23)[C@@H](n2ccnn2)C1 ZINC001070055935 790467973 /nfs/dbraw/zinc/46/79/73/790467973.db2.gz YKSJCTODGMDLTP-ZBFHGGJFSA-N 1 1 337.387 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3nnn(C)n3)C[C@@H]2C)c1 ZINC001044743568 776728748 /nfs/dbraw/zinc/72/87/48/776728748.db2.gz WHVCGVLFCFMCPO-WFASDCNBSA-N 1 1 339.403 0.369 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079742600 776786865 /nfs/dbraw/zinc/78/68/65/776786865.db2.gz CZNRTTGOWFRCIO-OAHLLOKOSA-N 1 1 335.448 0.426 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079742600 776786872 /nfs/dbraw/zinc/78/68/72/776786872.db2.gz CZNRTTGOWFRCIO-OAHLLOKOSA-N 1 1 335.448 0.426 20 30 ECEDMO CCN(C(=O)[C@H](C)C[NH+]1CCOCC1)C1CN(C(=O)C#CC(C)C)C1 ZINC001079804712 776904946 /nfs/dbraw/zinc/90/49/46/776904946.db2.gz MOTSRRCMBXIMHW-MRXNPFEDSA-N 1 1 349.475 0.673 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001079805166 776907020 /nfs/dbraw/zinc/90/70/20/776907020.db2.gz XYVDETHEHABWHH-INIZCTEOSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001079808419 776914667 /nfs/dbraw/zinc/91/46/67/776914667.db2.gz QLPHGTPHBJJNEZ-ZDUSSCGKSA-N 1 1 332.404 0.289 20 30 ECEDMO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CSCC#N)C1 ZINC001079860310 776990718 /nfs/dbraw/zinc/99/07/18/776990718.db2.gz ZVPSFCXMLGQDKT-TZMCWYRMSA-N 1 1 338.477 0.643 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2oc(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070070812 790505040 /nfs/dbraw/zinc/50/50/40/790505040.db2.gz UWLLEWKVXBCZLF-KGLIPLIRSA-N 1 1 342.403 0.816 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2oc(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070070812 790505051 /nfs/dbraw/zinc/50/50/51/790505051.db2.gz UWLLEWKVXBCZLF-KGLIPLIRSA-N 1 1 342.403 0.816 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079981755 777189230 /nfs/dbraw/zinc/18/92/30/777189230.db2.gz ZVOJFPRKDNLKPG-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070074912 790516999 /nfs/dbraw/zinc/51/69/99/790516999.db2.gz MYIBBAOFFCSFIC-CABCVRRESA-N 1 1 329.408 0.897 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070074912 790517009 /nfs/dbraw/zinc/51/70/09/790517009.db2.gz MYIBBAOFFCSFIC-CABCVRRESA-N 1 1 329.408 0.897 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001070076310 790522121 /nfs/dbraw/zinc/52/21/21/790522121.db2.gz KLYAABDWBJBLEY-KGLIPLIRSA-N 1 1 341.419 0.344 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001070076310 790522130 /nfs/dbraw/zinc/52/21/30/790522130.db2.gz KLYAABDWBJBLEY-KGLIPLIRSA-N 1 1 341.419 0.344 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001070076512 790522606 /nfs/dbraw/zinc/52/26/06/790522606.db2.gz QNQNSSZXGCBVGT-CABCVRRESA-N 1 1 329.408 0.172 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC=C)C[C@@H]2n2ccnn2)cn1 ZINC001070080551 790535317 /nfs/dbraw/zinc/53/53/17/790535317.db2.gz KOQFFXULBYBKSL-SJORKVTESA-N 1 1 336.399 0.886 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001080178412 777509022 /nfs/dbraw/zinc/50/90/22/777509022.db2.gz HNNOJYGSCUIALP-UKRRQHHQSA-N 1 1 327.388 0.993 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001080178412 777509027 /nfs/dbraw/zinc/50/90/27/777509027.db2.gz HNNOJYGSCUIALP-UKRRQHHQSA-N 1 1 327.388 0.993 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080259780 777620718 /nfs/dbraw/zinc/62/07/18/777620718.db2.gz MGVXHVWGCBKWAS-DIOULYMOSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080259780 777620722 /nfs/dbraw/zinc/62/07/22/777620722.db2.gz MGVXHVWGCBKWAS-DIOULYMOSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080264922 777628351 /nfs/dbraw/zinc/62/83/51/777628351.db2.gz KJUZPQMBFWVXIM-DAXOMENPSA-N 1 1 341.415 0.518 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080264922 777628358 /nfs/dbraw/zinc/62/83/58/777628358.db2.gz KJUZPQMBFWVXIM-DAXOMENPSA-N 1 1 341.415 0.518 20 30 ECEDMO CC#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001080300225 777658231 /nfs/dbraw/zinc/65/82/31/777658231.db2.gz ZHLGUAGSNTYRMZ-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO CC#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001080300225 777658233 /nfs/dbraw/zinc/65/82/33/777658233.db2.gz ZHLGUAGSNTYRMZ-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001080330673 777698598 /nfs/dbraw/zinc/69/85/98/777698598.db2.gz YSSZZTUSCPSFOL-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2csc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070091663 790572238 /nfs/dbraw/zinc/57/22/38/790572238.db2.gz ZKKWJFRCKFLYLX-KGLIPLIRSA-N 1 1 332.433 0.813 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2csc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070091663 790572243 /nfs/dbraw/zinc/57/22/43/790572243.db2.gz ZKKWJFRCKFLYLX-KGLIPLIRSA-N 1 1 332.433 0.813 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)CC[N@H+](C)CC)CCOCC1 ZINC001070092083 790573728 /nfs/dbraw/zinc/57/37/28/790573728.db2.gz OCKQMMWYEZUAHA-UHFFFAOYSA-N 1 1 337.464 0.913 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001043187599 777912527 /nfs/dbraw/zinc/91/25/27/777912527.db2.gz KYPAFGVRRQUXFX-OAHLLOKOSA-N 1 1 349.475 0.929 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001043205735 777955098 /nfs/dbraw/zinc/95/50/98/777955098.db2.gz LJGQGQSCVLHSDP-SFHVURJKSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cncn3C)C[C@H]2C)nn1 ZINC001080578801 778083222 /nfs/dbraw/zinc/08/32/22/778083222.db2.gz AWUKNFRHAYPFRR-TZMCWYRMSA-N 1 1 329.408 0.448 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cncn3C)C[C@H]2C)nn1 ZINC001080578801 778083235 /nfs/dbraw/zinc/08/32/35/778083235.db2.gz AWUKNFRHAYPFRR-TZMCWYRMSA-N 1 1 329.408 0.448 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2C)nn1 ZINC001080578960 778083408 /nfs/dbraw/zinc/08/34/08/778083408.db2.gz IHJFCSFXOZLIPL-MBNYWOFBSA-N 1 1 346.435 0.181 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2C)nn1 ZINC001080578960 778083413 /nfs/dbraw/zinc/08/34/13/778083413.db2.gz IHJFCSFXOZLIPL-MBNYWOFBSA-N 1 1 346.435 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(CC)CC)C1 ZINC001043286261 778097825 /nfs/dbraw/zinc/09/78/25/778097825.db2.gz CZPVUYUOYFFSHT-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(CC)CC)C1 ZINC001043286261 778097834 /nfs/dbraw/zinc/09/78/34/778097834.db2.gz CZPVUYUOYFFSHT-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001080589986 778101702 /nfs/dbraw/zinc/10/17/02/778101702.db2.gz WLOZZYONKBTZLQ-DLTWYDFYSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001080589986 778101704 /nfs/dbraw/zinc/10/17/04/778101704.db2.gz WLOZZYONKBTZLQ-DLTWYDFYSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043430691 778318327 /nfs/dbraw/zinc/31/83/27/778318327.db2.gz LNHNHFXOPWJTDB-UHFFFAOYSA-N 1 1 325.453 0.618 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnc(CC)s2)[C@@H](n2ccnn2)C1 ZINC001070105890 790622048 /nfs/dbraw/zinc/62/20/48/790622048.db2.gz MFKWFCPVHZAGRY-OLZOCXBDSA-N 1 1 344.444 0.976 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc(CC)s2)[C@@H](n2ccnn2)C1 ZINC001070105890 790622054 /nfs/dbraw/zinc/62/20/54/790622054.db2.gz MFKWFCPVHZAGRY-OLZOCXBDSA-N 1 1 344.444 0.976 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043591548 778556714 /nfs/dbraw/zinc/55/67/14/778556714.db2.gz AYBKNOKXCGUWLH-QLFBSQMISA-N 1 1 342.447 0.903 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 ZINC001068588340 790642664 /nfs/dbraw/zinc/64/26/64/790642664.db2.gz FNHUSARNYFVHKW-PWNZVWSESA-N 1 1 328.420 0.853 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccncc2C#N)C1 ZINC001068588364 790642821 /nfs/dbraw/zinc/64/28/21/790642821.db2.gz GKTLTYZACNGQHI-XOUADPBQSA-N 1 1 327.432 0.880 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043773674 778850643 /nfs/dbraw/zinc/85/06/43/778850643.db2.gz PYWMHRDIFKUKGD-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001068607426 790695631 /nfs/dbraw/zinc/69/56/31/790695631.db2.gz MMDZJVVIZRMXTL-ZQDZILKHSA-N 1 1 342.447 0.807 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070140487 790729426 /nfs/dbraw/zinc/72/94/26/790729426.db2.gz PIPOPZVLMUTBOK-AGIUHOORSA-N 1 1 325.800 0.551 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)C[C@H]21 ZINC001042301798 780023288 /nfs/dbraw/zinc/02/32/88/780023288.db2.gz NVTJMMHBDLQPAI-HUUCEWRRSA-N 1 1 345.447 0.490 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042319921 780068726 /nfs/dbraw/zinc/06/87/26/780068726.db2.gz LPSMGOYVUJKNRO-GOEBONIOSA-N 1 1 329.400 0.622 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC001042333436 780087596 /nfs/dbraw/zinc/08/75/96/780087596.db2.gz OPCQKGHIZLZBKK-STQMWFEESA-N 1 1 334.420 0.426 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC001042333841 780088238 /nfs/dbraw/zinc/08/82/38/780088238.db2.gz QIXHGSWBBTYPJI-UONOGXRCSA-N 1 1 348.447 0.816 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]21 ZINC001042341474 780102708 /nfs/dbraw/zinc/10/27/08/780102708.db2.gz NXBVABLVEOJCKG-PBHICJAKSA-N 1 1 336.399 0.832 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 ZINC001042345450 780109342 /nfs/dbraw/zinc/10/93/42/780109342.db2.gz LMDJIRNIYABRAK-UONOGXRCSA-N 1 1 334.420 0.379 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001042348178 780114601 /nfs/dbraw/zinc/11/46/01/780114601.db2.gz GWCVWORAHPKLDU-QWHCGFSZSA-N 1 1 327.388 0.135 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001042349744 780117121 /nfs/dbraw/zinc/11/71/21/780117121.db2.gz SWELYIIJPPDYIC-OLZOCXBDSA-N 1 1 329.404 0.688 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001042350329 780117182 /nfs/dbraw/zinc/11/71/82/780117182.db2.gz YGFXRNNLBDHCNF-CHWSQXEVSA-N 1 1 327.388 0.135 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C[C@H]21 ZINC001042352544 780122911 /nfs/dbraw/zinc/12/29/11/780122911.db2.gz ZYJFBTUWNZKBIL-GOEBONIOSA-N 1 1 328.416 0.898 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]21 ZINC001042368954 780156990 /nfs/dbraw/zinc/15/69/90/780156990.db2.gz TXRRFWNKOONSKY-HIFRSBDPSA-N 1 1 346.435 0.266 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]21 ZINC001042368955 780157130 /nfs/dbraw/zinc/15/71/30/780157130.db2.gz TXRRFWNKOONSKY-UKRRQHHQSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(OC)ncnc3OC)C[C@H]21 ZINC001042379283 780173259 /nfs/dbraw/zinc/17/32/59/780173259.db2.gz JIKSJOXVCWQXNL-CHWSQXEVSA-N 1 1 330.388 0.663 20 30 ECEDMO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)cn1 ZINC001070156931 790777730 /nfs/dbraw/zinc/77/77/30/790777730.db2.gz BNWUBMNCSMGFSC-GLQYFDAESA-N 1 1 340.391 0.078 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001042502829 780359340 /nfs/dbraw/zinc/35/93/40/780359340.db2.gz SUNBNHWYBPLSED-GZBFAFLISA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[C@H](C)OC)CC1 ZINC001078852626 780560546 /nfs/dbraw/zinc/56/05/46/780560546.db2.gz GDOSBZJCXOVWTD-BBWFWOEESA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[C@H](C)OC)CC1 ZINC001078852626 780560551 /nfs/dbraw/zinc/56/05/51/780560551.db2.gz GDOSBZJCXOVWTD-BBWFWOEESA-N 1 1 349.475 0.958 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CN(CC#N)C[C@H]1O ZINC001079129676 780789512 /nfs/dbraw/zinc/78/95/12/780789512.db2.gz ADGRZWAPYWSMIA-RCCFBDPRSA-N 1 1 342.443 0.678 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001042776826 780796825 /nfs/dbraw/zinc/79/68/25/780796825.db2.gz VASYTXUYUOLTET-OWCLPIDISA-N 1 1 329.404 0.367 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001042801233 780844921 /nfs/dbraw/zinc/84/49/21/780844921.db2.gz HPXXFIXXYXHWRU-MRXNPFEDSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001042804331 780851381 /nfs/dbraw/zinc/85/13/81/780851381.db2.gz AUDBVSJSXBYDKE-GASCZTMLSA-N 1 1 335.448 0.352 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCN3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227430 780897878 /nfs/dbraw/zinc/89/78/78/780897878.db2.gz TUCOSDUSRIZJBE-YESZJQIVSA-N 1 1 331.460 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)CCCC)C1 ZINC001042866193 780962316 /nfs/dbraw/zinc/96/23/16/780962316.db2.gz ZIECOTDJHTZCNX-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)CCCC)C1 ZINC001042866193 780962321 /nfs/dbraw/zinc/96/23/21/780962321.db2.gz ZIECOTDJHTZCNX-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001042941537 781074166 /nfs/dbraw/zinc/07/41/66/781074166.db2.gz NMYOHQLEADOODO-JKSUJKDBSA-N 1 1 347.459 0.352 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cscn3)C2)C1=O ZINC001079488446 781174672 /nfs/dbraw/zinc/17/46/72/781174672.db2.gz YWKAURMPRWKAGX-YRGRVCCFSA-N 1 1 334.445 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cscn3)C2)C1=O ZINC001079488446 781174674 /nfs/dbraw/zinc/17/46/74/781174674.db2.gz YWKAURMPRWKAGX-YRGRVCCFSA-N 1 1 334.445 0.980 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001043015778 781184957 /nfs/dbraw/zinc/18/49/57/781184957.db2.gz AARIUIFUGBVVQH-BZUAXINKSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001079510711 781206043 /nfs/dbraw/zinc/20/60/43/781206043.db2.gz IGRFXLLKPYKVSH-BPLDGKMQSA-N 1 1 332.404 0.441 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001079510711 781206047 /nfs/dbraw/zinc/20/60/47/781206047.db2.gz IGRFXLLKPYKVSH-BPLDGKMQSA-N 1 1 332.404 0.441 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043062330 781260348 /nfs/dbraw/zinc/26/03/48/781260348.db2.gz ZSSLKSKGOQWLIS-KBPBESRZSA-N 1 1 337.464 0.476 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041362812 781354161 /nfs/dbraw/zinc/35/41/61/781354161.db2.gz MNJXSNHZGUOQQA-GOSISDBHSA-N 1 1 335.448 0.736 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)Cn2c[nH+]cc2C)cn1 ZINC001077633578 781391687 /nfs/dbraw/zinc/39/16/87/781391687.db2.gz WHQGFDUTRRJOHQ-ZDUSSCGKSA-N 1 1 339.399 0.893 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC001041408318 781449675 /nfs/dbraw/zinc/44/96/75/781449675.db2.gz UEAKUMMPSBXXKB-GOSISDBHSA-N 1 1 328.416 0.975 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041423638 781476807 /nfs/dbraw/zinc/47/68/07/781476807.db2.gz VIXIPHXQIHAQQV-CXAGYDPISA-N 1 1 329.404 0.104 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001077679152 781492453 /nfs/dbraw/zinc/49/24/53/781492453.db2.gz IIWSZUDKPMPOSM-DAXOMENPSA-N 1 1 348.472 0.623 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451319 781544635 /nfs/dbraw/zinc/54/46/35/781544635.db2.gz KCHHAVAWZYLFES-HOCLYGCPSA-N 1 1 326.462 0.922 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3ncn(C)c3=O)C2)C1 ZINC001041510292 781667156 /nfs/dbraw/zinc/66/71/56/781667156.db2.gz WHYSOLLZMAKSOC-GOSISDBHSA-N 1 1 347.463 0.863 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C2)C1 ZINC001041513446 781674789 /nfs/dbraw/zinc/67/47/89/781674789.db2.gz WUGAOPDCUGLNOE-JZXOWHBKSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001041545379 781740744 /nfs/dbraw/zinc/74/07/44/781740744.db2.gz VKTAECZDRXSDID-ACJLOTCBSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC3CCCC3)C[C@H]2O)nn1 ZINC001077812931 781742090 /nfs/dbraw/zinc/74/20/90/781742090.db2.gz VZBTUGQOYXKJRX-GDBMZVCRSA-N 1 1 333.436 0.819 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001041598982 781826619 /nfs/dbraw/zinc/82/66/19/781826619.db2.gz DENZJAVKUBGXRV-KXBFYZLASA-N 1 1 341.459 0.868 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@H](C)O)nn1 ZINC001039941817 783313071 /nfs/dbraw/zinc/31/30/71/783313071.db2.gz JHGIWABUDCOACH-SOUVJXGZSA-N 1 1 333.436 0.914 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@H](C)O)nn1 ZINC001039941817 783313077 /nfs/dbraw/zinc/31/30/77/783313077.db2.gz JHGIWABUDCOACH-SOUVJXGZSA-N 1 1 333.436 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)CCCC=C)C1 ZINC001040730112 783341434 /nfs/dbraw/zinc/34/14/34/783341434.db2.gz WLKHEWLAKNEAEW-LPHOPBHVSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)CCCC=C)C1 ZINC001040730112 783341441 /nfs/dbraw/zinc/34/14/41/783341441.db2.gz WLKHEWLAKNEAEW-LPHOPBHVSA-N 1 1 347.459 0.520 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001040734348 783348537 /nfs/dbraw/zinc/34/85/37/783348537.db2.gz VGBZXERUGYFFEL-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001040764716 783388407 /nfs/dbraw/zinc/38/84/07/783388407.db2.gz YCMYAAQNRPFMBK-SUMWQHHRSA-N 1 1 347.419 0.211 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070212359 783667290 /nfs/dbraw/zinc/66/72/90/783667290.db2.gz GHNJMUUJPQIOSL-ZNMIVQPWSA-N 1 1 331.424 0.018 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070212687 783668246 /nfs/dbraw/zinc/66/82/46/783668246.db2.gz MPLWXILYLKJXES-XHSDSOJGSA-N 1 1 330.436 0.127 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070212687 783668251 /nfs/dbraw/zinc/66/82/51/783668251.db2.gz MPLWXILYLKJXES-XHSDSOJGSA-N 1 1 330.436 0.127 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001070252004 783744302 /nfs/dbraw/zinc/74/43/02/783744302.db2.gz KHRYVYCIVFFVNV-KGLIPLIRSA-N 1 1 344.423 0.161 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@@H]1n1ccnn1 ZINC001070260772 783760004 /nfs/dbraw/zinc/76/00/04/783760004.db2.gz QEBPOICHRQUREA-CABCVRRESA-N 1 1 344.419 0.774 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)c3ccon3)[nH]2)[C@H](C2CC2)C1 ZINC001070351235 783861876 /nfs/dbraw/zinc/86/18/76/783861876.db2.gz NYOOJUQZFSJMIR-QWHCGFSZSA-N 1 1 340.387 0.781 20 30 ECEDMO C#CC[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3ccon3)n2)[C@H](C2CC2)C1 ZINC001070351235 783861887 /nfs/dbraw/zinc/86/18/87/783861887.db2.gz NYOOJUQZFSJMIR-QWHCGFSZSA-N 1 1 340.387 0.781 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3ccon3)n2)[C@H](C2CC2)C1 ZINC001070351235 783861899 /nfs/dbraw/zinc/86/18/99/783861899.db2.gz NYOOJUQZFSJMIR-QWHCGFSZSA-N 1 1 340.387 0.781 20 30 ECEDMO CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001070354638 783876321 /nfs/dbraw/zinc/87/63/21/783876321.db2.gz SWJMZQUFXKFUST-AAEUAGOBSA-N 1 1 343.391 0.416 20 30 ECEDMO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC001070354638 783876323 /nfs/dbraw/zinc/87/63/23/783876323.db2.gz SWJMZQUFXKFUST-AAEUAGOBSA-N 1 1 343.391 0.416 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(F)c(C#N)c2)C1 ZINC001038134177 783900136 /nfs/dbraw/zinc/90/01/36/783900136.db2.gz FCHIEAMTXZFUQZ-RDJZCZTQSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(F)c(C#N)c2)C1 ZINC001038134177 783900143 /nfs/dbraw/zinc/90/01/43/783900143.db2.gz FCHIEAMTXZFUQZ-RDJZCZTQSA-N 1 1 346.406 0.718 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2n[nH]cc2F)C1 ZINC001070387289 783933302 /nfs/dbraw/zinc/93/33/02/783933302.db2.gz GNMPMMRPPHUPSF-ZDUSSCGKSA-N 1 1 343.362 0.960 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2n[nH]cc2F)C1 ZINC001070387289 783933307 /nfs/dbraw/zinc/93/33/07/783933307.db2.gz GNMPMMRPPHUPSF-ZDUSSCGKSA-N 1 1 343.362 0.960 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001038173712 783949947 /nfs/dbraw/zinc/94/99/47/783949947.db2.gz QFELRMGMQJYVRK-CQSZACIVSA-N 1 1 327.392 0.599 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001038173712 783949955 /nfs/dbraw/zinc/94/99/55/783949955.db2.gz QFELRMGMQJYVRK-CQSZACIVSA-N 1 1 327.392 0.599 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCO)C2)c1 ZINC001070403280 783976865 /nfs/dbraw/zinc/97/68/65/783976865.db2.gz PAECYOMXGLBCKV-LBPRGKRZSA-N 1 1 328.376 0.321 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001070411596 784001198 /nfs/dbraw/zinc/00/11/98/784001198.db2.gz SNKPRRZUTMVEPD-ZIAGYGMSSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001070412590 784005676 /nfs/dbraw/zinc/00/56/76/784005676.db2.gz FKTJHNWGRWWXMT-LBPRGKRZSA-N 1 1 340.387 0.351 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001070412894 784006322 /nfs/dbraw/zinc/00/63/22/784006322.db2.gz NKWFTHGRZPPYHY-IJEWVQPXSA-N 1 1 347.463 0.720 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(OCC)n[nH]2)C1 ZINC001070413070 784007604 /nfs/dbraw/zinc/00/76/04/784007604.db2.gz RZKQKIRJZWNGCX-LBPRGKRZSA-N 1 1 342.403 0.884 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCCN2C)C1 ZINC001070414279 784013079 /nfs/dbraw/zinc/01/30/79/784013079.db2.gz JBYOTTAUVNWNNG-GOEBONIOSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCCN2C)C1 ZINC001070414279 784013087 /nfs/dbraw/zinc/01/30/87/784013087.db2.gz JBYOTTAUVNWNNG-GOEBONIOSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001070414345 784013126 /nfs/dbraw/zinc/01/31/26/784013126.db2.gz KGHMHHGUIUMLRT-LBPRGKRZSA-N 1 1 340.387 0.648 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnc[nH]c2=O)C1 ZINC001070415183 784015653 /nfs/dbraw/zinc/01/56/53/784015653.db2.gz YPOXHCAREKPLDX-LBPRGKRZSA-N 1 1 340.387 0.648 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001070414967 784015665 /nfs/dbraw/zinc/01/56/65/784015665.db2.gz VVJQIFUPPOYKQK-KGLIPLIRSA-N 1 1 345.447 0.918 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)cc1 ZINC001038223069 784017277 /nfs/dbraw/zinc/01/72/77/784017277.db2.gz RQFYBUOVXRTTCV-ZFWWWQNUSA-N 1 1 344.371 0.388 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)cc1 ZINC001038223069 784017287 /nfs/dbraw/zinc/01/72/87/784017287.db2.gz RQFYBUOVXRTTCV-ZFWWWQNUSA-N 1 1 344.371 0.388 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001070421468 784030228 /nfs/dbraw/zinc/03/02/28/784030228.db2.gz LQCWIDUKNAFEBL-HIFRSBDPSA-N 1 1 345.447 0.870 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001070423401 784036790 /nfs/dbraw/zinc/03/67/90/784036790.db2.gz YPUBHJAAECKTJY-LBPRGKRZSA-N 1 1 342.403 0.788 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCCO)C1 ZINC001070424174 784038340 /nfs/dbraw/zinc/03/83/40/784038340.db2.gz CHJMQEJVNPJKHR-IMJJTQAJSA-N 1 1 348.447 0.789 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(CC)nn2)C1 ZINC001070431309 784053678 /nfs/dbraw/zinc/05/36/78/784053678.db2.gz RIUXQLLEEBTQSQ-GFCCVEGCSA-N 1 1 327.392 0.374 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2OC)C1 ZINC001070432993 784058830 /nfs/dbraw/zinc/05/88/30/784058830.db2.gz XHYRXFSDXZWISJ-LBPRGKRZSA-N 1 1 342.403 0.504 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c(C)nn(C)c2F)C1 ZINC001070434156 784061764 /nfs/dbraw/zinc/06/17/64/784061764.db2.gz NQUVNGIZILRECR-LBPRGKRZSA-N 1 1 344.394 0.943 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001070906208 784089667 /nfs/dbraw/zinc/08/96/67/784089667.db2.gz XOKSSVMKGMFUSR-CFVMTHIKSA-N 1 1 345.403 0.705 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001070906208 784089673 /nfs/dbraw/zinc/08/96/73/784089673.db2.gz XOKSSVMKGMFUSR-CFVMTHIKSA-N 1 1 345.403 0.705 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC001070907806 784094805 /nfs/dbraw/zinc/09/48/05/784094805.db2.gz YYRGAKUVZGVEFI-YUELXQCFSA-N 1 1 346.387 0.970 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC001070907806 784094807 /nfs/dbraw/zinc/09/48/07/784094807.db2.gz YYRGAKUVZGVEFI-YUELXQCFSA-N 1 1 346.387 0.970 20 30 ECEDMO CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913174 784103925 /nfs/dbraw/zinc/10/39/25/784103925.db2.gz DEHMKZLUTOHUMI-XHSDSOJGSA-N 1 1 331.416 0.916 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070454579 784120833 /nfs/dbraw/zinc/12/08/33/784120833.db2.gz HIBWPGBXPYETPG-CYBMUJFWSA-N 1 1 335.433 0.556 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001070936073 784157642 /nfs/dbraw/zinc/15/76/42/784157642.db2.gz DRQNJKXTNPVDGO-UHFFFAOYSA-N 1 1 346.431 0.550 20 30 ECEDMO C=C(Cl)CN1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001070945870 784188478 /nfs/dbraw/zinc/18/84/78/784188478.db2.gz CYLOHAMZVQJAON-CQSZACIVSA-N 1 1 342.871 0.484 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cc(C)on2)CC1 ZINC001070949513 784200799 /nfs/dbraw/zinc/20/07/99/784200799.db2.gz INOYPRNDVBFOBT-UHFFFAOYSA-N 1 1 334.420 0.752 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@H]1c1cn(C)cn1 ZINC001070505865 784202749 /nfs/dbraw/zinc/20/27/49/784202749.db2.gz MGRYLLZJNBYNRK-USXIJHARSA-N 1 1 329.448 0.422 20 30 ECEDMO C[C@@H](F)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956682 784222571 /nfs/dbraw/zinc/22/25/71/784222571.db2.gz XVRUNMJTPDEDIA-CYBMUJFWSA-N 1 1 349.410 0.899 20 30 ECEDMO C[C@@H](F)CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956682 784222577 /nfs/dbraw/zinc/22/25/77/784222577.db2.gz XVRUNMJTPDEDIA-CYBMUJFWSA-N 1 1 349.410 0.899 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001070958726 784229865 /nfs/dbraw/zinc/22/98/65/784229865.db2.gz PGQHSZOGHDEIHA-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001070958726 784229874 /nfs/dbraw/zinc/22/98/74/784229874.db2.gz PGQHSZOGHDEIHA-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)OC)C1 ZINC001070532212 784237774 /nfs/dbraw/zinc/23/77/74/784237774.db2.gz VTUNRGPLVSMYTC-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)OC)C1 ZINC001070532212 784237782 /nfs/dbraw/zinc/23/77/82/784237782.db2.gz VTUNRGPLVSMYTC-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001070966832 784255791 /nfs/dbraw/zinc/25/57/91/784255791.db2.gz PYEPIBJCQLBBTA-DLBZAZTESA-N 1 1 348.491 0.391 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]nc2CC)CC1 ZINC001070976838 784294441 /nfs/dbraw/zinc/29/44/41/784294441.db2.gz RMCMWAPLADOBNE-UHFFFAOYSA-N 1 1 333.436 0.812 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]nc2CC)CC1 ZINC001070976838 784294446 /nfs/dbraw/zinc/29/44/46/784294446.db2.gz RMCMWAPLADOBNE-UHFFFAOYSA-N 1 1 333.436 0.812 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001070979882 784304428 /nfs/dbraw/zinc/30/44/28/784304428.db2.gz DAFJRHJDAZKMAT-XYJFISCASA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001070979882 784304434 /nfs/dbraw/zinc/30/44/34/784304434.db2.gz DAFJRHJDAZKMAT-XYJFISCASA-N 1 1 347.459 0.475 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCn2ccnc2)CC1 ZINC001070984182 784322019 /nfs/dbraw/zinc/32/20/19/784322019.db2.gz XPKSZKSGSABEEF-UHFFFAOYSA-N 1 1 347.463 0.890 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCC(=O)NCC[N@@H+](C[C@H](C)O)CC1 ZINC001070985703 784326178 /nfs/dbraw/zinc/32/61/78/784326178.db2.gz SNBQYZITZUPXIG-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCC(=O)NCC[N@H+](C[C@H](C)O)CC1 ZINC001070985703 784326188 /nfs/dbraw/zinc/32/61/88/784326188.db2.gz SNBQYZITZUPXIG-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001070992359 784343879 /nfs/dbraw/zinc/34/38/79/784343879.db2.gz FGIYHQUGMFLJCU-IRXDYDNUSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CCC1(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CCC1 ZINC001070585951 784363738 /nfs/dbraw/zinc/36/37/38/784363738.db2.gz RWXPPESMKVVBOV-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC1(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CCC1 ZINC001070585951 784363749 /nfs/dbraw/zinc/36/37/49/784363749.db2.gz RWXPPESMKVVBOV-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccc(=O)n2C)CC1 ZINC001070998845 784365979 /nfs/dbraw/zinc/36/59/79/784365979.db2.gz WPVAWXJBYHAQCP-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C(C)(F)F)CC1 ZINC001070999988 784369025 /nfs/dbraw/zinc/36/90/25/784369025.db2.gz JBSCXHHRRVTTHS-CYBMUJFWSA-N 1 1 329.391 0.952 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C(C)(F)F)CC1 ZINC001070999988 784369031 /nfs/dbraw/zinc/36/90/31/784369031.db2.gz JBSCXHHRRVTTHS-CYBMUJFWSA-N 1 1 329.391 0.952 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cccnn2)n1 ZINC001070599396 784412979 /nfs/dbraw/zinc/41/29/79/784412979.db2.gz YEZHTERNPMLQEP-KBPBESRZSA-N 1 1 340.387 0.648 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(CC)c2)CC1 ZINC001071014274 784416185 /nfs/dbraw/zinc/41/61/85/784416185.db2.gz GVWZRDDKLFLCPQ-UHFFFAOYSA-N 1 1 345.447 0.119 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(CC)c2)CC1 ZINC001071014274 784416187 /nfs/dbraw/zinc/41/61/87/784416187.db2.gz GVWZRDDKLFLCPQ-UHFFFAOYSA-N 1 1 345.447 0.119 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071015816 784424135 /nfs/dbraw/zinc/42/41/35/784424135.db2.gz VFKOFAWCVLGCRR-INIZCTEOSA-N 1 1 334.464 0.002 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2n[nH]cc2F)n1 ZINC001070605400 784426994 /nfs/dbraw/zinc/42/69/94/784426994.db2.gz LYYVEDNGDIVMGC-NWDGAFQWSA-N 1 1 346.366 0.720 20 30 ECEDMO C=CCC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc[nH]n2)n1 ZINC001070605742 784427267 /nfs/dbraw/zinc/42/72/67/784427267.db2.gz ZFXOMXWKNZPOQO-QWHCGFSZSA-N 1 1 345.407 0.919 20 30 ECEDMO CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)C[NH+]3CCCC3)n2)N(CC#N)C1 ZINC001070606051 784428171 /nfs/dbraw/zinc/42/81/71/784428171.db2.gz JFDHFNFPSLMVME-LSDHHAIUSA-N 1 1 346.435 0.530 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC001071017276 784429524 /nfs/dbraw/zinc/42/95/24/784429524.db2.gz OXXQOLGFNIKGIL-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC001071017276 784429530 /nfs/dbraw/zinc/42/95/30/784429530.db2.gz OXXQOLGFNIKGIL-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccc(OC)c2)CC1 ZINC001071018317 784431501 /nfs/dbraw/zinc/43/15/01/784431501.db2.gz MFUSLTQYFKFFEM-UHFFFAOYSA-N 1 1 343.427 0.983 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccc(OC)c2)CC1 ZINC001071018317 784431504 /nfs/dbraw/zinc/43/15/04/784431504.db2.gz MFUSLTQYFKFFEM-UHFFFAOYSA-N 1 1 343.427 0.983 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001071053619 784487668 /nfs/dbraw/zinc/48/76/68/784487668.db2.gz COXPOSVXXJOWOD-RHSMWYFYSA-N 1 1 325.453 0.763 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001071109117 784546020 /nfs/dbraw/zinc/54/60/20/784546020.db2.gz CZDVTUAGFVQOMA-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001071109118 784546107 /nfs/dbraw/zinc/54/61/07/784546107.db2.gz CZDVTUAGFVQOMA-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1c1cncn1C ZINC001070685548 784550669 /nfs/dbraw/zinc/55/06/69/784550669.db2.gz HKDNAVXGYWOSQV-CHWSQXEVSA-N 1 1 344.419 0.633 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)C)C2)C1 ZINC001070707132 784574286 /nfs/dbraw/zinc/57/42/86/784574286.db2.gz XGEKYNBGJVSWHL-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)C)C2)C1 ZINC001070707132 784574287 /nfs/dbraw/zinc/57/42/87/784574287.db2.gz XGEKYNBGJVSWHL-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001070729532 784612746 /nfs/dbraw/zinc/61/27/46/784612746.db2.gz PHIZQGDHUCATOM-ZACQAIPSSA-N 1 1 345.443 0.230 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001070729532 784612750 /nfs/dbraw/zinc/61/27/50/784612750.db2.gz PHIZQGDHUCATOM-ZACQAIPSSA-N 1 1 345.443 0.230 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001070732133 784622501 /nfs/dbraw/zinc/62/25/01/784622501.db2.gz WUHFYJFLTUQUOB-HUUCEWRRSA-N 1 1 337.464 0.862 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)C[C@H](C)O2 ZINC001071160161 784629490 /nfs/dbraw/zinc/62/94/90/784629490.db2.gz YXQINFXLMJLPEM-DOTOQJQBSA-N 1 1 333.436 0.936 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC1OCCCO1)C[C@@H](C)O2 ZINC001071161154 784631911 /nfs/dbraw/zinc/63/19/11/784631911.db2.gz FMJGAYRHLUBCFD-CRAIPNDOSA-N 1 1 336.432 0.855 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(CC)n1)C[C@@H](C)O2 ZINC001071164849 784637702 /nfs/dbraw/zinc/63/77/02/784637702.db2.gz TWDVNKKDPZVQIG-PBHICJAKSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(CC)n1)C[C@@H](C)O2 ZINC001071165218 784639269 /nfs/dbraw/zinc/63/92/69/784639269.db2.gz ZJPUAROGJZXSNP-RHSMWYFYSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccn(C)n1)C[C@@H](C)O2 ZINC001071166537 784641508 /nfs/dbraw/zinc/64/15/08/784641508.db2.gz JSFYJDIHFKGUSI-QAPCUYQASA-N 1 1 330.432 0.678 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@H](C)O2 ZINC001071166833 784642332 /nfs/dbraw/zinc/64/23/32/784642332.db2.gz ORRBMBIGJDFTKN-GUYCJALGSA-N 1 1 333.436 0.924 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1CS(=O)(=O)C1)C[C@@H](C)O2 ZINC001071168856 784646588 /nfs/dbraw/zinc/64/65/88/784646588.db2.gz IQKVGDIDWJGWSY-CZUORRHYSA-N 1 1 342.461 0.299 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CS(=O)(=O)C1)C[C@@H](C)O2 ZINC001071168856 784646595 /nfs/dbraw/zinc/64/65/95/784646595.db2.gz IQKVGDIDWJGWSY-CZUORRHYSA-N 1 1 342.461 0.299 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccn(CC)n1)C[C@@H](C)O2 ZINC001071172100 784654784 /nfs/dbraw/zinc/65/47/84/784654784.db2.gz XJCCSDVEEIINKB-CRAIPNDOSA-N 1 1 330.432 0.771 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn3nnnc13)C[C@H](C)O2 ZINC001071172123 784654843 /nfs/dbraw/zinc/65/48/43/784654843.db2.gz XPVXQKLECVFHQB-SUMWQHHRSA-N 1 1 342.403 0.616 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccn(CC)n1)C[C@@H](C)O2 ZINC001071172102 784655090 /nfs/dbraw/zinc/65/50/90/784655090.db2.gz XJCCSDVEEIINKB-QAPCUYQASA-N 1 1 330.432 0.771 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3c(n1)CCC3)C[C@@H](C)O2 ZINC001071172279 784655178 /nfs/dbraw/zinc/65/51/78/784655178.db2.gz ZPGBIYKSLXSHRF-RDTXWAMCSA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3c(n1)CCC3)C[C@@H](C)O2 ZINC001071172279 784655181 /nfs/dbraw/zinc/65/51/81/784655181.db2.gz ZPGBIYKSLXSHRF-RDTXWAMCSA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn(C)c1C)C[C@@H](C)O2 ZINC001071172944 784657594 /nfs/dbraw/zinc/65/75/94/784657594.db2.gz CCROPUZTLHHINH-BEFAXECRSA-N 1 1 344.459 0.986 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)C[C@@H](C)O2 ZINC001071174332 784661786 /nfs/dbraw/zinc/66/17/86/784661786.db2.gz WRCMLEUWJIWCIA-NVXWUHKLSA-N 1 1 333.436 0.936 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn[nH]c(=O)c1)C[C@H](C)O2 ZINC001071177781 784670118 /nfs/dbraw/zinc/67/01/18/784670118.db2.gz GFECYGANZCFQIT-SUMWQHHRSA-N 1 1 330.388 0.511 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn3c(n1)COCC3)C[C@@H](C)O2 ZINC001071180213 784678048 /nfs/dbraw/zinc/67/80/48/784678048.db2.gz IMNBRSOVONVKBL-KDOFPFPSSA-N 1 1 346.431 0.905 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)C[C@@H](C)O2 ZINC001071180381 784679618 /nfs/dbraw/zinc/67/96/18/784679618.db2.gz LQLFUOUNMLATLO-KZULUSFZSA-N 1 1 344.415 0.325 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3c(n1)COCC3)C[C@@H](C)O2 ZINC001071181439 784680179 /nfs/dbraw/zinc/68/01/79/784680179.db2.gz XQMGLAPOGZPVDQ-RDTXWAMCSA-N 1 1 344.415 0.352 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3c(n1)COCC3)C[C@@H](C)O2 ZINC001071181439 784680184 /nfs/dbraw/zinc/68/01/84/784680184.db2.gz XQMGLAPOGZPVDQ-RDTXWAMCSA-N 1 1 344.415 0.352 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCNC1=O)C[C@@H](C)O2 ZINC001071185117 784686658 /nfs/dbraw/zinc/68/66/58/784686658.db2.gz AVWYMTFCMLCPGB-QAPCUYQASA-N 1 1 348.447 0.117 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)C[C@H](C)O2 ZINC001071185925 784689317 /nfs/dbraw/zinc/68/93/17/784689317.db2.gz NXEHMEFWWPDXGL-KSSFIOAISA-N 1 1 344.415 0.604 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)C[C@H](C)O2 ZINC001071185925 784689320 /nfs/dbraw/zinc/68/93/20/784689320.db2.gz NXEHMEFWWPDXGL-KSSFIOAISA-N 1 1 344.415 0.604 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(=O)Nc1ccccc1)C[C@@H](C)O2 ZINC001071186155 784690540 /nfs/dbraw/zinc/69/05/40/784690540.db2.gz RFDJFIFIFOHJAG-BEFAXECRSA-N 1 1 341.411 0.950 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@H](C)O2 ZINC001071188754 784693380 /nfs/dbraw/zinc/69/33/80/784693380.db2.gz AQEIWFNTFKEAKR-SUMWQHHRSA-N 1 1 334.420 0.920 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nn(C)c1C)C[C@H](C)O2 ZINC001071194012 784709125 /nfs/dbraw/zinc/70/91/25/784709125.db2.gz APXRKHJLRKHGDH-UGSOOPFHSA-N 1 1 330.432 0.976 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@H](C)O2 ZINC001071198951 784719496 /nfs/dbraw/zinc/71/94/96/784719496.db2.gz HQCCGVUIZOLCEA-GUYCJALGSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@H](C)O2 ZINC001071198951 784719504 /nfs/dbraw/zinc/71/95/04/784719504.db2.gz HQCCGVUIZOLCEA-GUYCJALGSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)n1C)C[C@H](C)O2 ZINC001071199628 784721004 /nfs/dbraw/zinc/72/10/04/784721004.db2.gz NWOWJEBLZMNVQD-SUMWQHHRSA-N 1 1 332.404 0.454 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@@H](C)O2 ZINC001071201724 784723802 /nfs/dbraw/zinc/72/38/02/784723802.db2.gz JJNWPRJLDYRCGQ-DYVFJYSZSA-N 1 1 330.388 0.099 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001071207227 784738638 /nfs/dbraw/zinc/73/86/38/784738638.db2.gz WTQKALIZTOAFCI-UGSOOPFHSA-N 1 1 342.399 0.235 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)[nH]1)C[C@H](C)O2 ZINC001071209446 784740930 /nfs/dbraw/zinc/74/09/30/784740930.db2.gz KBWJZQXWMBWBCV-GUYCJALGSA-N 1 1 332.404 0.454 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@H](C)O2 ZINC001071209446 784740939 /nfs/dbraw/zinc/74/09/39/784740939.db2.gz KBWJZQXWMBWBCV-GUYCJALGSA-N 1 1 332.404 0.454 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@H](C)O2 ZINC001071209446 784740948 /nfs/dbraw/zinc/74/09/48/784740948.db2.gz KBWJZQXWMBWBCV-GUYCJALGSA-N 1 1 332.404 0.454 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@@H](C)O2 ZINC001071209340 784741326 /nfs/dbraw/zinc/74/13/26/784741326.db2.gz IIZLXJTZZWFIOG-PBHICJAKSA-N 1 1 333.436 0.626 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn[nH]n1)C[C@@H](C)O2 ZINC001071211204 784745623 /nfs/dbraw/zinc/74/56/23/784745623.db2.gz DNTNOUILNLKZTI-RHSMWYFYSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@@H](C)O2 ZINC001071211204 784745626 /nfs/dbraw/zinc/74/56/26/784745626.db2.gz DNTNOUILNLKZTI-RHSMWYFYSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@@H](C)O2 ZINC001071211204 784745631 /nfs/dbraw/zinc/74/56/31/784745631.db2.gz DNTNOUILNLKZTI-RHSMWYFYSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@@H](C)O2 ZINC001071211204 784745636 /nfs/dbraw/zinc/74/56/36/784745636.db2.gz DNTNOUILNLKZTI-RHSMWYFYSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@@H](C)O2 ZINC001071211204 784745646 /nfs/dbraw/zinc/74/56/46/784745646.db2.gz DNTNOUILNLKZTI-RHSMWYFYSA-N 1 1 331.420 0.452 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@@H](C)O2 ZINC001071212152 784747948 /nfs/dbraw/zinc/74/79/48/784747948.db2.gz SNYQSRAVFMEFHM-KDOFPFPSSA-N 1 1 331.416 0.877 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CCCO)C3)C2)cn1 ZINC001071230924 784793223 /nfs/dbraw/zinc/79/32/23/784793223.db2.gz LHPIFECWBXQPCW-KXBFYZLASA-N 1 1 343.427 0.751 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(=O)Nc1cc(C)on1)C[C@H](C)O2 ZINC001071237603 784805809 /nfs/dbraw/zinc/80/58/09/784805809.db2.gz AGDTZJLGMUOLCB-SUMWQHHRSA-N 1 1 348.403 0.799 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@@H](C)O2 ZINC001071238269 784807284 /nfs/dbraw/zinc/80/72/84/784807284.db2.gz KXBLSNBDPSGJDR-KDOFPFPSSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258972 784866269 /nfs/dbraw/zinc/86/62/69/784866269.db2.gz VKRAYVAICZRYEQ-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3csnn3)C2)C(=O)C1 ZINC001071268917 784897843 /nfs/dbraw/zinc/89/78/43/784897843.db2.gz DZNMUUNTHQTLSK-CYBMUJFWSA-N 1 1 349.460 0.863 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3csnn3)C2)C(=O)C1 ZINC001071268917 784897849 /nfs/dbraw/zinc/89/78/49/784897849.db2.gz DZNMUUNTHQTLSK-CYBMUJFWSA-N 1 1 349.460 0.863 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001071320412 784949529 /nfs/dbraw/zinc/94/95/29/784949529.db2.gz IZBYXUJJZDWLFK-CYBMUJFWSA-N 1 1 326.466 0.692 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071340905 784980545 /nfs/dbraw/zinc/98/05/45/784980545.db2.gz VQRWKZZAQNROGA-DOTOQJQBSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CC#Cc1ccccc1 ZINC001071340905 784980551 /nfs/dbraw/zinc/98/05/51/784980551.db2.gz VQRWKZZAQNROGA-DOTOQJQBSA-N 1 1 338.415 0.694 20 30 ECEDMO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001068756801 791078077 /nfs/dbraw/zinc/07/80/77/791078077.db2.gz HTWPVBKYZYCRHF-CQSZACIVSA-N 1 1 335.448 0.923 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)CC[C@@H]1C ZINC001071530843 785252790 /nfs/dbraw/zinc/25/27/90/785252790.db2.gz BMBCZLWDWSXVQZ-KBPBESRZSA-N 1 1 332.452 0.963 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001068764054 791097184 /nfs/dbraw/zinc/09/71/84/791097184.db2.gz ICEWRGVWJZMRTD-GJZGRUSLSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC[C@H]1C ZINC001071896325 785289244 /nfs/dbraw/zinc/28/92/44/785289244.db2.gz FRXOFHDEXJRILN-KGLIPLIRSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)CC[C@@H]1C ZINC001071561841 785308398 /nfs/dbraw/zinc/30/83/98/785308398.db2.gz WFTNWNHYFWTQHS-RYUDHWBXSA-N 1 1 327.388 0.890 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001071921129 785337731 /nfs/dbraw/zinc/33/77/31/785337731.db2.gz BGRPXGXENQVXLC-SWLSCSKDSA-N 1 1 331.420 0.803 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071657468 785462098 /nfs/dbraw/zinc/46/20/98/785462098.db2.gz DVECNXDCKNJJDT-DGCLKSJQSA-N 1 1 335.433 0.411 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@@H]1C ZINC001071702050 785556255 /nfs/dbraw/zinc/55/62/55/785556255.db2.gz SGHSDFSOEAZQTQ-STQMWFEESA-N 1 1 325.376 0.273 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@@H]1C ZINC001071702050 785556261 /nfs/dbraw/zinc/55/62/61/785556261.db2.gz SGHSDFSOEAZQTQ-STQMWFEESA-N 1 1 325.376 0.273 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1C ZINC001072048077 785572288 /nfs/dbraw/zinc/57/22/88/785572288.db2.gz IBJCLEKXTOKQKW-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO C=CCCOCC(=O)N[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001072139496 785734013 /nfs/dbraw/zinc/73/40/13/785734013.db2.gz UGWLVTXDSYAOGI-ZFWWWQNUSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cc(C)n[nH]4)C3)C2)C1=O ZINC001072519455 786318805 /nfs/dbraw/zinc/31/88/05/786318805.db2.gz KFDUGUIEUQXSSK-OAHLLOKOSA-N 1 1 343.431 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)c4cc(C)[nH]n4)C3)C2)C1=O ZINC001072519455 786318809 /nfs/dbraw/zinc/31/88/09/786318809.db2.gz KFDUGUIEUQXSSK-OAHLLOKOSA-N 1 1 343.431 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cc(C)[nH]n4)C3)C2)C1=O ZINC001072519455 786318812 /nfs/dbraw/zinc/31/88/12/786318812.db2.gz KFDUGUIEUQXSSK-OAHLLOKOSA-N 1 1 343.431 0.653 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC1CCS(=O)(=O)CC1)C2 ZINC001072553331 786358039 /nfs/dbraw/zinc/35/80/39/786358039.db2.gz XUTSQXVVBCMODZ-ZDUSSCGKSA-N 1 1 339.461 0.505 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCCS(=O)(=O)C1)C2 ZINC001072553423 786358359 /nfs/dbraw/zinc/35/83/59/786358359.db2.gz ZGRSSDLVJCUFQH-ZIAGYGMSSA-N 1 1 339.461 0.505 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC1CCS(=O)(=O)CC1)C2 ZINC001072553330 786358548 /nfs/dbraw/zinc/35/85/48/786358548.db2.gz XUTSQXVVBCMODZ-CYBMUJFWSA-N 1 1 339.461 0.505 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@H]21 ZINC001074266578 786546983 /nfs/dbraw/zinc/54/69/83/786546983.db2.gz MWWAAKXBOZIDAZ-HUUCEWRRSA-N 1 1 332.404 0.767 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@H]21 ZINC001074266578 786546985 /nfs/dbraw/zinc/54/69/85/786546985.db2.gz MWWAAKXBOZIDAZ-HUUCEWRRSA-N 1 1 332.404 0.767 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001073551738 786564981 /nfs/dbraw/zinc/56/49/81/786564981.db2.gz XPCFMIBIXHSGGY-UHFFFAOYSA-N 1 1 345.447 0.513 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC(N2CCN(C(=O)C#CC(C)C)CC2)C1 ZINC001073571022 786642452 /nfs/dbraw/zinc/64/24/52/786642452.db2.gz MNPAYUIUQKYXMZ-UHFFFAOYSA-N 1 1 348.491 0.343 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001073575230 786654892 /nfs/dbraw/zinc/65/48/92/786654892.db2.gz UJTJCWWJOAHHRL-NVXWUHKLSA-N 1 1 348.491 0.648 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@@H]21 ZINC001074315367 786657684 /nfs/dbraw/zinc/65/76/84/786657684.db2.gz UYVTUJULKODOSD-LSDHHAIUSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@@H]21 ZINC001074315367 786657694 /nfs/dbraw/zinc/65/76/94/786657694.db2.gz UYVTUJULKODOSD-LSDHHAIUSA-N 1 1 334.420 0.920 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001073597197 786733211 /nfs/dbraw/zinc/73/32/11/786733211.db2.gz SGPDEUOYUHALKC-OAHLLOKOSA-N 1 1 349.479 0.233 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001073605438 786760341 /nfs/dbraw/zinc/76/03/41/786760341.db2.gz KPMQAJCNQZKTGX-YOEHRIQHSA-N 1 1 345.447 0.630 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001073605438 786760345 /nfs/dbraw/zinc/76/03/45/786760345.db2.gz KPMQAJCNQZKTGX-YOEHRIQHSA-N 1 1 345.447 0.630 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001073608385 786763801 /nfs/dbraw/zinc/76/38/01/786763801.db2.gz QBJCFYMIEBHDDJ-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001073608385 786763805 /nfs/dbraw/zinc/76/38/05/786763805.db2.gz QBJCFYMIEBHDDJ-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001073617599 786778805 /nfs/dbraw/zinc/77/88/05/786778805.db2.gz IPFDZIJJDYNQAL-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001073617599 786778809 /nfs/dbraw/zinc/77/88/09/786778809.db2.gz IPFDZIJJDYNQAL-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001073617697 786779824 /nfs/dbraw/zinc/77/98/24/786779824.db2.gz KJGJOILZPMPABR-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001073617697 786779836 /nfs/dbraw/zinc/77/98/36/786779836.db2.gz KJGJOILZPMPABR-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001073620980 786786954 /nfs/dbraw/zinc/78/69/54/786786954.db2.gz SWAPNZPASGDZMF-CQSZACIVSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001073632248 786822649 /nfs/dbraw/zinc/82/26/49/786822649.db2.gz ZELJUXXFEZIYBT-CQSZACIVSA-N 1 1 334.420 0.981 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@H]21 ZINC001074387968 786826860 /nfs/dbraw/zinc/82/68/60/786826860.db2.gz SSQDQEHLKHEYDP-HZPDHXFCSA-N 1 1 346.431 0.430 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@H]21 ZINC001074387968 786826872 /nfs/dbraw/zinc/82/68/72/786826872.db2.gz SSQDQEHLKHEYDP-HZPDHXFCSA-N 1 1 346.431 0.430 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001073634203 786829021 /nfs/dbraw/zinc/82/90/21/786829021.db2.gz OIGZUTZCPUSEHO-CVEARBPZSA-N 1 1 330.432 0.991 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001073634821 786830201 /nfs/dbraw/zinc/83/02/01/786830201.db2.gz WTAXEFPVYQOCCJ-RDJZCZTQSA-N 1 1 342.443 0.812 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001073639959 786845466 /nfs/dbraw/zinc/84/54/66/786845466.db2.gz OOWGFKKIATZWAX-AWEZNQCLSA-N 1 1 345.399 0.697 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001073648789 786869046 /nfs/dbraw/zinc/86/90/46/786869046.db2.gz CKUXTHPEUXDWGQ-HNNXBMFYSA-N 1 1 331.416 0.538 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001074403182 786869976 /nfs/dbraw/zinc/86/99/76/786869976.db2.gz RPFWSOAXDBNTKC-LSDHHAIUSA-N 1 1 349.431 0.403 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001074403182 786869986 /nfs/dbraw/zinc/86/99/86/786869986.db2.gz RPFWSOAXDBNTKC-LSDHHAIUSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001073654728 786882238 /nfs/dbraw/zinc/88/22/38/786882238.db2.gz LLOYJXOLZKUEDH-OAHLLOKOSA-N 1 1 327.388 0.802 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001073660854 786903903 /nfs/dbraw/zinc/90/39/03/786903903.db2.gz QGLWNCIJFSYVTF-HUUCEWRRSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001073660854 786903909 /nfs/dbraw/zinc/90/39/09/786903909.db2.gz QGLWNCIJFSYVTF-HUUCEWRRSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001073667546 786916644 /nfs/dbraw/zinc/91/66/44/786916644.db2.gz IWRYIDBDKYANSX-HNNXBMFYSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001073667546 786916650 /nfs/dbraw/zinc/91/66/50/786916650.db2.gz IWRYIDBDKYANSX-HNNXBMFYSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001073670515 786925967 /nfs/dbraw/zinc/92/59/67/786925967.db2.gz IFRRHSYQEQEUMG-WBVHZDCISA-N 1 1 330.432 0.676 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001073677760 786948760 /nfs/dbraw/zinc/94/87/60/786948760.db2.gz RJYRLRRAMRHSHV-MRXNPFEDSA-N 1 1 349.431 0.501 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001073677920 786950258 /nfs/dbraw/zinc/95/02/58/786950258.db2.gz WFQALPHLQJTLJU-ZDUSSCGKSA-N 1 1 333.388 0.860 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 ZINC001073697260 786993240 /nfs/dbraw/zinc/99/32/40/786993240.db2.gz DDHNTFZPUNQUGU-CYBMUJFWSA-N 1 1 334.372 0.492 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 ZINC001073697260 786993247 /nfs/dbraw/zinc/99/32/47/786993247.db2.gz DDHNTFZPUNQUGU-CYBMUJFWSA-N 1 1 334.372 0.492 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CCCC)C1 ZINC001073713029 787028901 /nfs/dbraw/zinc/02/89/01/787028901.db2.gz RJUXBBVZWKKUFI-DLBZAZTESA-N 1 1 339.480 0.880 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001073724449 787065169 /nfs/dbraw/zinc/06/51/69/787065169.db2.gz WFEKYONXEFDDMD-OAHLLOKOSA-N 1 1 346.431 0.241 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001073726457 787068121 /nfs/dbraw/zinc/06/81/21/787068121.db2.gz MPDFSMIXBIHQNE-OAHLLOKOSA-N 1 1 344.419 0.911 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001073743229 787101745 /nfs/dbraw/zinc/10/17/45/787101745.db2.gz QPTRXDXMLROQRN-ZIAGYGMSSA-N 1 1 347.381 0.711 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001073743229 787101755 /nfs/dbraw/zinc/10/17/55/787101755.db2.gz QPTRXDXMLROQRN-ZIAGYGMSSA-N 1 1 347.381 0.711 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001073772233 787173356 /nfs/dbraw/zinc/17/33/56/787173356.db2.gz IWFSZWTWKHJCOR-ZDUSSCGKSA-N 1 1 332.404 0.496 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001073781776 787191555 /nfs/dbraw/zinc/19/15/55/787191555.db2.gz NRFSQMKNMFEDCP-ZDUSSCGKSA-N 1 1 334.420 0.358 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](C[C@H](C)O)CCCO2)cc1 ZINC001073801496 787229075 /nfs/dbraw/zinc/22/90/75/787229075.db2.gz MOVDKQTXEWCHCE-YJBOKZPZSA-N 1 1 346.427 0.900 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)COC)CCCO2)nn1 ZINC001073807073 787237417 /nfs/dbraw/zinc/23/74/17/787237417.db2.gz FAZZGTFZMCSYOQ-ZIAGYGMSSA-N 1 1 337.424 0.320 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[N@@H+](C[C@@H](C)OC)CCCO2)nn1 ZINC001073807415 787238956 /nfs/dbraw/zinc/23/89/56/787238956.db2.gz OGIAPMVXBGUXOS-KGLIPLIRSA-N 1 1 337.424 0.320 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)nn1 ZINC001073813438 787245830 /nfs/dbraw/zinc/24/58/30/787245830.db2.gz ZELHZEZRCIYXMA-CQSZACIVSA-N 1 1 337.424 0.057 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001073815470 787250678 /nfs/dbraw/zinc/25/06/78/787250678.db2.gz BKSXRUABDAXJQT-CQSZACIVSA-N 1 1 343.387 0.279 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nncn3c2)C1 ZINC001073819036 787261461 /nfs/dbraw/zinc/26/14/61/787261461.db2.gz WCMRHOKWMNEJTH-OAHLLOKOSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001074593180 787347151 /nfs/dbraw/zinc/34/71/51/787347151.db2.gz JXGKXUJAIZDUPR-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001073851063 787361607 /nfs/dbraw/zinc/36/16/07/787361607.db2.gz SGMMEFZZARWESH-HNNXBMFYSA-N 1 1 345.403 0.926 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001073856408 787372742 /nfs/dbraw/zinc/37/27/42/787372742.db2.gz FPUXMDGPGUDLGG-HOCLYGCPSA-N 1 1 330.432 0.745 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)COC)CCCO2)cn1 ZINC001073865945 787401349 /nfs/dbraw/zinc/40/13/49/787401349.db2.gz QFAZSCXIYXKUQL-RHSMWYFYSA-N 1 1 331.416 0.919 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001073883540 787429736 /nfs/dbraw/zinc/42/97/36/787429736.db2.gz QWXQYEIUJZJYBI-AWEZNQCLSA-N 1 1 332.404 0.107 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001073883540 787429740 /nfs/dbraw/zinc/42/97/40/787429740.db2.gz QWXQYEIUJZJYBI-AWEZNQCLSA-N 1 1 332.404 0.107 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001073886747 787438805 /nfs/dbraw/zinc/43/88/05/787438805.db2.gz WHALOOHZXBSKAL-MRXNPFEDSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001073886747 787438811 /nfs/dbraw/zinc/43/88/11/787438811.db2.gz WHALOOHZXBSKAL-MRXNPFEDSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001073899594 787475726 /nfs/dbraw/zinc/47/57/26/787475726.db2.gz YDPGPIWDISRWAP-HZPDHXFCSA-N 1 1 345.447 0.379 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001073901891 787483545 /nfs/dbraw/zinc/48/35/45/787483545.db2.gz IXJFEFFMLPIUSJ-ZDUSSCGKSA-N 1 1 329.356 0.987 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001073901891 787483551 /nfs/dbraw/zinc/48/35/51/787483551.db2.gz IXJFEFFMLPIUSJ-ZDUSSCGKSA-N 1 1 329.356 0.987 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001073902255 787484114 /nfs/dbraw/zinc/48/41/14/787484114.db2.gz ZMQRRSFWTMKJOU-KGLIPLIRSA-N 1 1 347.381 0.853 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001073902255 787484120 /nfs/dbraw/zinc/48/41/20/787484120.db2.gz ZMQRRSFWTMKJOU-KGLIPLIRSA-N 1 1 347.381 0.853 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(N(C)C)ccn2)C1 ZINC001073905294 787490264 /nfs/dbraw/zinc/49/02/64/787490264.db2.gz AOZLRHQNJAPRDR-INIZCTEOSA-N 1 1 330.432 0.992 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc(OCC)cn2)C1 ZINC001073914415 787518723 /nfs/dbraw/zinc/51/87/23/787518723.db2.gz RSZNEIAREKKGEC-CQSZACIVSA-N 1 1 332.404 0.719 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(OCC)cn2)C1 ZINC001073914415 787518728 /nfs/dbraw/zinc/51/87/28/787518728.db2.gz RSZNEIAREKKGEC-CQSZACIVSA-N 1 1 332.404 0.719 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001073914673 787519904 /nfs/dbraw/zinc/51/99/04/787519904.db2.gz ZIQSAMYAOJJMPF-CQSZACIVSA-N 1 1 342.399 0.733 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001073914673 787519907 /nfs/dbraw/zinc/51/99/07/787519907.db2.gz ZIQSAMYAOJJMPF-CQSZACIVSA-N 1 1 342.399 0.733 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccccc2-n2ccnn2)C1 ZINC001073914630 787520005 /nfs/dbraw/zinc/52/00/05/787520005.db2.gz YLYXYKWAHZXEIW-HNNXBMFYSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccccc2-n2ccnn2)C1 ZINC001073914630 787520009 /nfs/dbraw/zinc/52/00/09/787520009.db2.gz YLYXYKWAHZXEIW-HNNXBMFYSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001073962525 787592779 /nfs/dbraw/zinc/59/27/79/787592779.db2.gz FWAMTEDETSXVNI-GDBMZVCRSA-N 1 1 346.431 0.585 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001074731323 787721627 /nfs/dbraw/zinc/72/16/27/787721627.db2.gz NRZFJAQZCAHOMH-CVEARBPZSA-N 1 1 349.475 0.313 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001074731669 787724470 /nfs/dbraw/zinc/72/44/70/787724470.db2.gz ZAUIZWMYZZUURR-HUUCEWRRSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001074062441 787793812 /nfs/dbraw/zinc/79/38/12/787793812.db2.gz GGIZNKXXNXOCMI-HIFRSBDPSA-N 1 1 334.420 0.747 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 ZINC001074159424 787963132 /nfs/dbraw/zinc/96/31/32/787963132.db2.gz FFXSPCXKNQXCGM-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 ZINC001074159424 787963138 /nfs/dbraw/zinc/96/31/38/787963138.db2.gz FFXSPCXKNQXCGM-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@@H]3CCCCN3C)[C@H]2C)C1=O ZINC001074813836 788372593 /nfs/dbraw/zinc/37/25/93/788372593.db2.gz RNBBLMNRNMMSIX-QAETUUGQSA-N 1 1 348.491 0.837 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)CSCC#N)C[C@H]1C ZINC001074844173 788421664 /nfs/dbraw/zinc/42/16/64/788421664.db2.gz WWXHSESLSKJJSD-OCCSQVGLSA-N 1 1 349.460 0.944 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CC[N@@H+](CCn2cncn2)C3)c[nH]1 ZINC001072643842 788491790 /nfs/dbraw/zinc/49/17/90/788491790.db2.gz BPVMYDILBUWEFL-UHFFFAOYSA-N 1 1 325.376 0.326 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001072706719 788625518 /nfs/dbraw/zinc/62/55/18/788625518.db2.gz QJBRYIRPJBEMFX-PBHICJAKSA-N 1 1 342.443 0.980 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)CN3CCCS3(=O)=O)C2)C1 ZINC001072799654 788826371 /nfs/dbraw/zinc/82/63/71/788826371.db2.gz PSWVCIXEEJICNN-UHFFFAOYSA-N 1 1 327.450 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1cnsn1)C2 ZINC001072822555 788890917 /nfs/dbraw/zinc/89/09/17/788890917.db2.gz NJJJFXQXPIIXDR-HNNXBMFYSA-N 1 1 345.472 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1cnsn1)C2 ZINC001072822555 788890928 /nfs/dbraw/zinc/89/09/28/788890928.db2.gz NJJJFXQXPIIXDR-HNNXBMFYSA-N 1 1 345.472 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@]3(C4CCCC4)CCNC3=O)C2)C1 ZINC001072826436 788903274 /nfs/dbraw/zinc/90/32/74/788903274.db2.gz VDNKMVXPMMEFBQ-IBGZPJMESA-N 1 1 329.444 0.850 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC001072999573 789254184 /nfs/dbraw/zinc/25/41/84/789254184.db2.gz GBTBBUBXCTXPNW-ILXRZTDVSA-N 1 1 333.432 0.343 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC)C3)cc1 ZINC001073037643 789317659 /nfs/dbraw/zinc/31/76/59/789317659.db2.gz CJFCHIKONOZXEL-UHFFFAOYSA-N 1 1 341.411 0.593 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC)C3)cc1 ZINC001073037643 789317669 /nfs/dbraw/zinc/31/76/69/789317669.db2.gz CJFCHIKONOZXEL-UHFFFAOYSA-N 1 1 341.411 0.593 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC001073062740 789372749 /nfs/dbraw/zinc/37/27/49/789372749.db2.gz PFDNMZRKSJRDBH-UHFFFAOYSA-N 1 1 346.431 0.427 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC2CC2)C3)cn1 ZINC001073137960 789511923 /nfs/dbraw/zinc/51/19/23/789511923.db2.gz VQNFHECNPYGBGN-UHFFFAOYSA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC2CC2)C3)cn1 ZINC001073137960 789511927 /nfs/dbraw/zinc/51/19/27/789511927.db2.gz VQNFHECNPYGBGN-UHFFFAOYSA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(N)=O)C2 ZINC001073152745 789536045 /nfs/dbraw/zinc/53/60/45/789536045.db2.gz LFQLPICFGWGFTF-CQSZACIVSA-N 1 1 325.412 0.619 20 30 ECEDMO C[C@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001069199516 789651922 /nfs/dbraw/zinc/65/19/22/789651922.db2.gz HHAZCBVWFPGMQO-KBPBESRZSA-N 1 1 342.447 0.903 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC001073443266 789846972 /nfs/dbraw/zinc/84/69/72/789846972.db2.gz IAJPEBWKRQCDDM-CQSZACIVSA-N 1 1 341.839 0.521 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC001073443266 789846977 /nfs/dbraw/zinc/84/69/77/789846977.db2.gz IAJPEBWKRQCDDM-CQSZACIVSA-N 1 1 341.839 0.521 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N3CCOCC3)C2)C1 ZINC001073449054 789856366 /nfs/dbraw/zinc/85/63/66/789856366.db2.gz LMUWPZCZNNBUDV-KRWDZBQOSA-N 1 1 331.460 0.655 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3ccc(C#N)nc3)C(C)(C)C2)C1 ZINC001069553543 789895230 /nfs/dbraw/zinc/89/52/30/789895230.db2.gz YXXPVHKTIZMJTH-CVEARBPZSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3ccc(C#N)nc3)C(C)(C)C2)C1 ZINC001069553543 789895238 /nfs/dbraw/zinc/89/52/38/789895238.db2.gz YXXPVHKTIZMJTH-CVEARBPZSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](Nc3nccnc3C#N)C(C)(C)C2)C1 ZINC001069572496 789908778 /nfs/dbraw/zinc/90/87/78/789908778.db2.gz XNMXZNUEERZCPJ-TZMCWYRMSA-N 1 1 328.420 0.949 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC(Nc2ccncc2C#N)C1 ZINC001069719498 789986975 /nfs/dbraw/zinc/98/69/75/789986975.db2.gz NEWOBVVVVTWXPK-ZBCRRDGASA-N 1 1 329.404 0.107 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC(Nc2ccncc2C#N)C1 ZINC001069719498 789986980 /nfs/dbraw/zinc/98/69/80/789986980.db2.gz NEWOBVVVVTWXPK-ZBCRRDGASA-N 1 1 329.404 0.107 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 ZINC001069814696 790048863 /nfs/dbraw/zinc/04/88/63/790048863.db2.gz AHTSYVHEQHFJIE-OAHLLOKOSA-N 1 1 326.404 0.695 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)c2C1 ZINC001069863375 790118009 /nfs/dbraw/zinc/11/80/09/790118009.db2.gz MBVPORSOBYLMPY-AWEZNQCLSA-N 1 1 339.403 0.613 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902204 790171126 /nfs/dbraw/zinc/17/11/26/790171126.db2.gz LUIZLQPSNBFKLN-MCIONIFRSA-N 1 1 338.843 0.466 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2ccon2)[C@@H](n2ccnn2)C1 ZINC001069904096 790173381 /nfs/dbraw/zinc/17/33/81/790173381.db2.gz ICLMDYZFKZQTMT-CABCVRRESA-N 1 1 330.392 0.817 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069916456 790186324 /nfs/dbraw/zinc/18/63/24/790186324.db2.gz XSXNHGYOHOFWAR-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069916456 790186328 /nfs/dbraw/zinc/18/63/28/790186328.db2.gz XSXNHGYOHOFWAR-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001069919303 790190637 /nfs/dbraw/zinc/19/06/37/790190637.db2.gz HWJHKEOLTSBNKW-OCCSQVGLSA-N 1 1 330.396 0.028 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)[C@@H](n2ccnn2)C1 ZINC001069929567 790202219 /nfs/dbraw/zinc/20/22/19/790202219.db2.gz KAMGLFBDQQRJHA-NCOADZHNSA-N 1 1 343.431 0.624 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC)C2)[C@@H](n2ccnn2)C1 ZINC001069942364 790218673 /nfs/dbraw/zinc/21/86/73/790218673.db2.gz YSMLMZRAWIPBFD-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC)C2)[C@@H](n2ccnn2)C1 ZINC001069942364 790218676 /nfs/dbraw/zinc/21/86/76/790218676.db2.gz YSMLMZRAWIPBFD-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H](n2ccnn2)C1 ZINC001069943169 790220309 /nfs/dbraw/zinc/22/03/09/790220309.db2.gz FECGRCWXNZJGNW-NEPJUHHUSA-N 1 1 347.810 0.642 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H](n2ccnn2)C1 ZINC001069943169 790220311 /nfs/dbraw/zinc/22/03/11/790220311.db2.gz FECGRCWXNZJGNW-NEPJUHHUSA-N 1 1 347.810 0.642 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001069949132 790228738 /nfs/dbraw/zinc/22/87/38/790228738.db2.gz FOECFOWMYOMOCD-FZKCQIBNSA-N 1 1 349.435 0.390 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H](n2ccnn2)C1 ZINC001069954634 790237236 /nfs/dbraw/zinc/23/72/36/790237236.db2.gz NZFUSVYSIYCXAB-CVEARBPZSA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H](n2ccnn2)C1 ZINC001069954634 790237242 /nfs/dbraw/zinc/23/72/42/790237242.db2.gz NZFUSVYSIYCXAB-CVEARBPZSA-N 1 1 337.387 0.996 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069960166 790242773 /nfs/dbraw/zinc/24/27/73/790242773.db2.gz GDUKJXOVEOCSQB-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069960166 790242777 /nfs/dbraw/zinc/24/27/77/790242777.db2.gz GDUKJXOVEOCSQB-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccnc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001069966018 790253034 /nfs/dbraw/zinc/25/30/34/790253034.db2.gz RSOIVNJUXMVGCE-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccnc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001069966018 790253039 /nfs/dbraw/zinc/25/30/39/790253039.db2.gz RSOIVNJUXMVGCE-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2 ZINC001068862331 791291926 /nfs/dbraw/zinc/29/19/26/791291926.db2.gz BVTHCPWUBMJPTD-HNNXBMFYSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001068917406 791415884 /nfs/dbraw/zinc/41/58/84/791415884.db2.gz WSQWCAZJMJCZGM-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068950141 791488122 /nfs/dbraw/zinc/48/81/22/791488122.db2.gz UVPGSBAXKZWGLM-ZIAGYGMSSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001069041007 791638631 /nfs/dbraw/zinc/63/86/31/791638631.db2.gz SDFJQSUBNYCPHS-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNc3ncccc3C#N)C2)CC[N@H+]1C ZINC001066686480 791987061 /nfs/dbraw/zinc/98/70/61/791987061.db2.gz RQNZIJHPBBQUMQ-VNQPRFMTSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@@H+](CC(=O)N1CCO[C@H](CNc2nccnc2C#N)C1)C1CCC1 ZINC001066687184 791989641 /nfs/dbraw/zinc/98/96/41/791989641.db2.gz HQGHHDCNJCBWBA-CQSZACIVSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001066736741 792071703 /nfs/dbraw/zinc/07/17/03/792071703.db2.gz VHHBCEVHNXUXGZ-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001066736741 792071715 /nfs/dbraw/zinc/07/17/15/792071715.db2.gz VHHBCEVHNXUXGZ-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1CN(C)c1cncc(C#N)n1 ZINC001067781791 792277418 /nfs/dbraw/zinc/27/74/18/792277418.db2.gz DFFBNHURNLEIMJ-OAHLLOKOSA-N 1 1 339.403 0.981 20 30 ECEDMO Cc1nc(NCC2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001067838709 792352384 /nfs/dbraw/zinc/35/23/84/792352384.db2.gz VRNRUQZTWXLURD-AVVWSFFYSA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1nc(NCC2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001067838709 792352395 /nfs/dbraw/zinc/35/23/95/792352395.db2.gz VRNRUQZTWXLURD-AVVWSFFYSA-N 1 1 343.431 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ccon1 ZINC001066939514 792430689 /nfs/dbraw/zinc/43/06/89/792430689.db2.gz BEKCINIIRAKJGW-HNNXBMFYSA-N 1 1 332.404 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ccon1 ZINC001066939514 792430695 /nfs/dbraw/zinc/43/06/95/792430695.db2.gz BEKCINIIRAKJGW-HNNXBMFYSA-N 1 1 332.404 0.693 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CC(CNc3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001067894291 792433931 /nfs/dbraw/zinc/43/39/31/792433931.db2.gz YXCXPQJDMAHWRA-BNQIPGGESA-N 1 1 328.420 0.995 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC[C@H]1C ZINC001067960990 792508533 /nfs/dbraw/zinc/50/85/33/792508533.db2.gz KYUKGTNSQIXJGC-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067000695 792543432 /nfs/dbraw/zinc/54/34/32/792543432.db2.gz SUASYQQEWXUQIZ-HUUCEWRRSA-N 1 1 341.452 0.215 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067000695 792543437 /nfs/dbraw/zinc/54/34/37/792543437.db2.gz SUASYQQEWXUQIZ-HUUCEWRRSA-N 1 1 341.452 0.215 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001067011343 792575318 /nfs/dbraw/zinc/57/53/18/792575318.db2.gz MRHAFMAABUQYNR-LSDHHAIUSA-N 1 1 325.453 0.979 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC1(C)C ZINC001068098661 792668399 /nfs/dbraw/zinc/66/83/99/792668399.db2.gz GOHJQDBETOLDEN-UONOGXRCSA-N 1 1 328.420 0.773 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001067107922 792705360 /nfs/dbraw/zinc/70/53/60/792705360.db2.gz GWCWALLKZIHKRT-RISCZKNCSA-N 1 1 325.376 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001068209183 792831700 /nfs/dbraw/zinc/83/17/00/792831700.db2.gz UKXODIKCKGDKOG-BMFAXAFESA-N 1 1 349.438 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001068209183 792831712 /nfs/dbraw/zinc/83/17/12/792831712.db2.gz UKXODIKCKGDKOG-BMFAXAFESA-N 1 1 349.438 0.849 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001067292570 792945924 /nfs/dbraw/zinc/94/59/24/792945924.db2.gz RCHSZHHIJYMFBU-MAUKXSAKSA-N 1 1 339.480 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1n[nH]cc1C ZINC001067371046 793052176 /nfs/dbraw/zinc/05/21/76/793052176.db2.gz QFDWMACBOLUNAY-HNNXBMFYSA-N 1 1 345.447 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1n[nH]cc1C ZINC001067371046 793052184 /nfs/dbraw/zinc/05/21/84/793052184.db2.gz QFDWMACBOLUNAY-HNNXBMFYSA-N 1 1 345.447 0.736 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001068358140 793121242 /nfs/dbraw/zinc/12/12/42/793121242.db2.gz AHTYLERMIILMJI-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001067431670 793149332 /nfs/dbraw/zinc/14/93/32/793149332.db2.gz UIJVLSXWGVJKKF-CQSZACIVSA-N 1 1 334.420 0.537 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001068388712 793180335 /nfs/dbraw/zinc/18/03/35/793180335.db2.gz KQXZVWMFDAITFD-UHFFFAOYSA-N 1 1 335.448 0.572 20 30 ECEDMO CCCN(C(=O)[C@@H](C)C#N)[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267454211 837437393 /nfs/dbraw/zinc/43/73/93/837437393.db2.gz LSLXGZGJCANVDO-KBPBESRZSA-N 1 1 334.420 0.608 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001267466297 837472383 /nfs/dbraw/zinc/47/23/83/837472383.db2.gz MWUSLXQXPZBXCH-OAHLLOKOSA-N 1 1 348.447 0.909 20 30 ECEDMO C#CCN1CCC(C(=O)N(C)CC[NH2+]CCCN2CCCC2=O)CC1 ZINC001267473117 837498382 /nfs/dbraw/zinc/49/83/82/837498382.db2.gz AVBAHIHDMYJENW-UHFFFAOYSA-N 1 1 348.491 0.392 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001267483065 837539094 /nfs/dbraw/zinc/53/90/94/837539094.db2.gz YWPUCEJHMPZCFE-ZDUSSCGKSA-N 1 1 349.435 0.354 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001267483065 837539097 /nfs/dbraw/zinc/53/90/97/837539097.db2.gz YWPUCEJHMPZCFE-ZDUSSCGKSA-N 1 1 349.435 0.354 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267496627 837567060 /nfs/dbraw/zinc/56/70/60/837567060.db2.gz XHPBKCUYROBYGO-KGLIPLIRSA-N 1 1 334.420 0.311 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2c[nH]cc2C)C1 ZINC001267496378 837567097 /nfs/dbraw/zinc/56/70/97/837567097.db2.gz RTJPXCIOBIKSHW-HNNXBMFYSA-N 1 1 330.432 0.999 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2c[nH]cc2C)C1 ZINC001267496378 837567101 /nfs/dbraw/zinc/56/71/01/837567101.db2.gz RTJPXCIOBIKSHW-HNNXBMFYSA-N 1 1 330.432 0.999 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001267496639 837567892 /nfs/dbraw/zinc/56/78/92/837567892.db2.gz XKBKTWWVOXMJHH-OAHLLOKOSA-N 1 1 348.447 0.655 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@@H](C)C#N)CC(=O)Nc1nncs1 ZINC001267499028 837573856 /nfs/dbraw/zinc/57/38/56/837573856.db2.gz HVKUIBFJWXXZTR-NSHDSACASA-N 1 1 338.437 0.853 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2c(C)ccn2C)C1 ZINC001267523699 837679830 /nfs/dbraw/zinc/67/98/30/837679830.db2.gz KXBQMNTVEXYUCR-OAHLLOKOSA-N 1 1 330.432 0.525 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CCC)S(N)(=O)=O)C1 ZINC001267544888 837733501 /nfs/dbraw/zinc/73/35/01/837733501.db2.gz VGWZACAWDNZXRQ-UONOGXRCSA-N 1 1 331.482 0.943 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CCC)S(N)(=O)=O)C1 ZINC001267544888 837733505 /nfs/dbraw/zinc/73/35/05/837733505.db2.gz VGWZACAWDNZXRQ-UONOGXRCSA-N 1 1 331.482 0.943 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001267545192 837735544 /nfs/dbraw/zinc/73/55/44/837735544.db2.gz PMJRHZGIGOTINS-MSOLQXFVSA-N 1 1 349.475 0.723 20 30 ECEDMO CCCc1n[nH]cc1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267545767 837738001 /nfs/dbraw/zinc/73/80/01/837738001.db2.gz WVIBNSAPZNREHH-ZDUSSCGKSA-N 1 1 346.435 0.444 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)CCn2cccc2)C1 ZINC001267548180 837745111 /nfs/dbraw/zinc/74/51/11/837745111.db2.gz ZWEYIBFHERJWPQ-KRWDZBQOSA-N 1 1 344.459 0.941 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCn2cccc2)C1 ZINC001267548180 837745119 /nfs/dbraw/zinc/74/51/19/837745119.db2.gz ZWEYIBFHERJWPQ-KRWDZBQOSA-N 1 1 344.459 0.941 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001267562450 837776302 /nfs/dbraw/zinc/77/63/02/837776302.db2.gz VRWYBJJXYYBZDZ-HZPDHXFCSA-N 1 1 337.464 0.934 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001267566090 837783115 /nfs/dbraw/zinc/78/31/15/837783115.db2.gz AVPUXMSKRVACPY-CYBMUJFWSA-N 1 1 329.466 0.166 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001267567372 837787478 /nfs/dbraw/zinc/78/74/78/837787478.db2.gz BRSAJCMDLBFBAY-CQSZACIVSA-N 1 1 336.436 0.723 20 30 ECEDMO CN(CCN1CCN(CC#N)CC1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267575949 837828020 /nfs/dbraw/zinc/82/80/20/837828020.db2.gz OJBATJBNXXGXBT-DLBZAZTESA-N 1 1 333.480 0.603 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)CCn2cc(Cl)cn2)CC1 ZINC001267576972 837833480 /nfs/dbraw/zinc/83/34/80/837833480.db2.gz CKOYQFOLEVWAPO-UHFFFAOYSA-N 1 1 337.855 0.636 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC001267577230 837833726 /nfs/dbraw/zinc/83/37/26/837833726.db2.gz JBQKDDQNZMVWFJ-ZDUSSCGKSA-N 1 1 336.436 0.579 20 30 ECEDMO C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001267577881 837834172 /nfs/dbraw/zinc/83/41/72/837834172.db2.gz FDRJEHMUZOSXTD-CQSZACIVSA-N 1 1 338.477 0.646 20 30 ECEDMO C=CCN1CC[C@@H](N2CC[NH+](CCCNC(=O)/C(C)=C\C)CC2)C1=O ZINC001266259924 835568014 /nfs/dbraw/zinc/56/80/14/835568014.db2.gz LNAINKBZVDYMTH-HFLUPCSWSA-N 1 1 348.491 0.863 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCNC(=O)CC2CCC2)CC1 ZINC001266260219 835570276 /nfs/dbraw/zinc/57/02/76/835570276.db2.gz PVULNWBPEZPAJM-UHFFFAOYSA-N 1 1 334.464 0.050 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)CCn1c(C)csc1=O ZINC001266271600 835592852 /nfs/dbraw/zinc/59/28/52/835592852.db2.gz KXOFSOZEAQVYBM-HNNXBMFYSA-N 1 1 327.450 0.593 20 30 ECEDMO C=C(C)CN1CC[NH+](CCCNC(=O)c2ccc(=O)n(CC)n2)CC1 ZINC001266276060 835600977 /nfs/dbraw/zinc/60/09/77/835600977.db2.gz XBNRJDBDRLAVSO-UHFFFAOYSA-N 1 1 347.463 0.577 20 30 ECEDMO C#CCCN1CCN(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001266297917 835649975 /nfs/dbraw/zinc/64/99/75/835649975.db2.gz XMQXHNLGULSFAW-ZWKOTPCHSA-N 1 1 334.508 0.864 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001266325933 835703868 /nfs/dbraw/zinc/70/38/68/835703868.db2.gz VEUXTZPAKSNNLM-GXTWGEPZSA-N 1 1 347.390 0.776 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001266325933 835703871 /nfs/dbraw/zinc/70/38/71/835703871.db2.gz VEUXTZPAKSNNLM-GXTWGEPZSA-N 1 1 347.390 0.776 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001266327360 835706519 /nfs/dbraw/zinc/70/65/19/835706519.db2.gz DBNDCWVFOKHAMT-QWHCGFSZSA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001266327360 835706523 /nfs/dbraw/zinc/70/65/23/835706523.db2.gz DBNDCWVFOKHAMT-QWHCGFSZSA-N 1 1 333.436 0.857 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C2)cc1 ZINC001266333494 835716419 /nfs/dbraw/zinc/71/64/19/835716419.db2.gz OHWCNNLUCHMVTM-KRWDZBQOSA-N 1 1 325.412 0.998 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCNC(=O)C3CC3)C2)cc1 ZINC001266333494 835716424 /nfs/dbraw/zinc/71/64/24/835716424.db2.gz OHWCNNLUCHMVTM-KRWDZBQOSA-N 1 1 325.412 0.998 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N2CCCCC2)nn1 ZINC001266335320 835718085 /nfs/dbraw/zinc/71/80/85/835718085.db2.gz QVZQCTYELOZJIT-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)N2CCCCC2)nn1 ZINC001266335320 835718090 /nfs/dbraw/zinc/71/80/90/835718090.db2.gz QVZQCTYELOZJIT-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn(C)nc1Cl ZINC001266347748 835739724 /nfs/dbraw/zinc/73/97/24/835739724.db2.gz PPWFCONLEJJHDX-SNVBAGLBSA-N 1 1 327.816 0.426 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn(C)nc1Cl ZINC001266347748 835739728 /nfs/dbraw/zinc/73/97/28/835739728.db2.gz PPWFCONLEJJHDX-SNVBAGLBSA-N 1 1 327.816 0.426 20 30 ECEDMO O=C(CC#Cc1ccccc1)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001266361670 835771351 /nfs/dbraw/zinc/77/13/51/835771351.db2.gz PZQLCKOISRPEBT-QGZVFWFLSA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(CC#Cc1ccccc1)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001266361670 835771363 /nfs/dbraw/zinc/77/13/63/835771363.db2.gz PZQLCKOISRPEBT-QGZVFWFLSA-N 1 1 325.412 0.897 20 30 ECEDMO CCc1cc(C(=O)N[C@@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)no1 ZINC001266381214 835792721 /nfs/dbraw/zinc/79/27/21/835792721.db2.gz YOTBXEARLGBGDC-CQSZACIVSA-N 1 1 345.403 0.461 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1ccnc2[nH]cnc21 ZINC001266392854 835799475 /nfs/dbraw/zinc/79/94/75/835799475.db2.gz QDOPTWDCBGDVGV-GFCCVEGCSA-N 1 1 342.403 0.148 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1ccnc2[nH]cnc21 ZINC001266392854 835799486 /nfs/dbraw/zinc/79/94/86/835799486.db2.gz QDOPTWDCBGDVGV-GFCCVEGCSA-N 1 1 342.403 0.148 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1n[nH]c2c1CCCC2 ZINC001266401147 835809272 /nfs/dbraw/zinc/80/92/72/835809272.db2.gz ZCTNNRFOAUZVJF-ZDUSSCGKSA-N 1 1 345.447 0.478 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1n[nH]c2c1CCCC2 ZINC001266401147 835809280 /nfs/dbraw/zinc/80/92/80/835809280.db2.gz ZCTNNRFOAUZVJF-ZDUSSCGKSA-N 1 1 345.447 0.478 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CC)CCCS(C)(=O)=O)c1 ZINC001266417211 835821006 /nfs/dbraw/zinc/82/10/06/835821006.db2.gz ZTHRZHNTPYJOKY-UHFFFAOYSA-N 1 1 337.445 0.549 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](CC)CCCS(C)(=O)=O)c1 ZINC001266417211 835821017 /nfs/dbraw/zinc/82/10/17/835821017.db2.gz ZTHRZHNTPYJOKY-UHFFFAOYSA-N 1 1 337.445 0.549 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](CC)CC(=O)NCC(C)C)c1 ZINC001266416605 835821218 /nfs/dbraw/zinc/82/12/18/835821218.db2.gz KPTOFPIUBJFQMM-UHFFFAOYSA-N 1 1 330.432 0.887 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CC)CC(=O)NCC(C)C)c1 ZINC001266416605 835821220 /nfs/dbraw/zinc/82/12/20/835821220.db2.gz KPTOFPIUBJFQMM-UHFFFAOYSA-N 1 1 330.432 0.887 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cccc(OC)c1 ZINC001266431552 835835738 /nfs/dbraw/zinc/83/57/38/835835738.db2.gz IEZDULZPWIBECV-CQSZACIVSA-N 1 1 331.416 0.885 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cccc(OC)c1 ZINC001266431552 835835744 /nfs/dbraw/zinc/83/57/44/835835744.db2.gz IEZDULZPWIBECV-CQSZACIVSA-N 1 1 331.416 0.885 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc[nH]c2C)C1 ZINC001266451093 835854281 /nfs/dbraw/zinc/85/42/81/835854281.db2.gz ACMBBLLEYIGPLW-HNNXBMFYSA-N 1 1 330.432 0.857 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc[nH]c2C)C1 ZINC001266451094 835854762 /nfs/dbraw/zinc/85/47/62/835854762.db2.gz ACMBBLLEYIGPLW-OAHLLOKOSA-N 1 1 330.432 0.857 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN(C(=O)c2ccns2)C1 ZINC001266459320 835861765 /nfs/dbraw/zinc/86/17/65/835861765.db2.gz OAHGUNPLWLXHHF-GFCCVEGCSA-N 1 1 335.433 0.567 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001266461553 835864082 /nfs/dbraw/zinc/86/40/82/835864082.db2.gz RKBQRLSPPDTGAH-YJBOKZPZSA-N 1 1 333.432 0.793 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001266468110 835869506 /nfs/dbraw/zinc/86/95/06/835869506.db2.gz JXCMBTSDNXQHIQ-AWEZNQCLSA-N 1 1 342.403 0.454 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001266468110 835869515 /nfs/dbraw/zinc/86/95/15/835869515.db2.gz JXCMBTSDNXQHIQ-AWEZNQCLSA-N 1 1 342.403 0.454 20 30 ECEDMO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001266468049 835869660 /nfs/dbraw/zinc/86/96/60/835869660.db2.gz INWIIJANZPRGTA-CQSZACIVSA-N 1 1 329.466 0.569 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001266468905 835871746 /nfs/dbraw/zinc/87/17/46/835871746.db2.gz CEFJKOKGUAFCDM-CQSZACIVSA-N 1 1 343.493 0.508 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001266468548 835871943 /nfs/dbraw/zinc/87/19/43/835871943.db2.gz SIHGSKATIOLJTR-CHWSQXEVSA-N 1 1 347.419 0.141 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001266468548 835871947 /nfs/dbraw/zinc/87/19/47/835871947.db2.gz SIHGSKATIOLJTR-CHWSQXEVSA-N 1 1 347.419 0.141 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001266479770 835881036 /nfs/dbraw/zinc/88/10/36/835881036.db2.gz CLMRMZLLGVQIPV-RYUDHWBXSA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001266479770 835881043 /nfs/dbraw/zinc/88/10/43/835881043.db2.gz CLMRMZLLGVQIPV-RYUDHWBXSA-N 1 1 335.408 0.011 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C(F)F ZINC001266482655 835882757 /nfs/dbraw/zinc/88/27/57/835882757.db2.gz FZZIYWUDISWKTK-RYUDHWBXSA-N 1 1 329.391 0.996 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)C(F)F ZINC001266482655 835882758 /nfs/dbraw/zinc/88/27/58/835882758.db2.gz FZZIYWUDISWKTK-RYUDHWBXSA-N 1 1 329.391 0.996 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCCn1cccc1 ZINC001266495184 835894042 /nfs/dbraw/zinc/89/40/42/835894042.db2.gz IMADRKZDCJVFNC-INIZCTEOSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cccc1 ZINC001266495184 835894044 /nfs/dbraw/zinc/89/40/44/835894044.db2.gz IMADRKZDCJVFNC-INIZCTEOSA-N 1 1 330.432 0.598 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001266498466 835898531 /nfs/dbraw/zinc/89/85/31/835898531.db2.gz WRNBHHALSPACIA-MAUKXSAKSA-N 1 1 335.448 0.666 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001266498468 835899031 /nfs/dbraw/zinc/89/90/31/835899031.db2.gz WRNBHHALSPACIA-YJBOKZPZSA-N 1 1 335.448 0.666 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC001266520976 835935345 /nfs/dbraw/zinc/93/53/45/835935345.db2.gz XFVLEQYWDYUXJA-ZDUSSCGKSA-N 1 1 332.404 0.444 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccoc2C2CC2)C1 ZINC001266527700 835943771 /nfs/dbraw/zinc/94/37/71/835943771.db2.gz BOURVZABWHPUMR-GFCCVEGCSA-N 1 1 330.388 0.848 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccoc2C2CC2)C1 ZINC001266527700 835943781 /nfs/dbraw/zinc/94/37/81/835943781.db2.gz BOURVZABWHPUMR-GFCCVEGCSA-N 1 1 330.388 0.848 20 30 ECEDMO CC#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001266560528 835988359 /nfs/dbraw/zinc/98/83/59/835988359.db2.gz QIRZTMIWEIETJC-CQSZACIVSA-N 1 1 331.420 0.614 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)Cc1ccc(C)o1)C1CC1 ZINC001266587791 836018173 /nfs/dbraw/zinc/01/81/73/836018173.db2.gz BWOIIMHNXWLKHR-AWEZNQCLSA-N 1 1 331.416 0.849 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)Cc1ccc(C)o1)C1CC1 ZINC001266587791 836018182 /nfs/dbraw/zinc/01/81/82/836018182.db2.gz BWOIIMHNXWLKHR-AWEZNQCLSA-N 1 1 331.416 0.849 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(C2CC2)nn1C)C1CC1 ZINC001266594303 836026525 /nfs/dbraw/zinc/02/65/25/836026525.db2.gz IENXIYYGFQQEKD-UHFFFAOYSA-N 1 1 343.431 0.241 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cc(C2CC2)nn1C)C1CC1 ZINC001266594303 836026535 /nfs/dbraw/zinc/02/65/35/836026535.db2.gz IENXIYYGFQQEKD-UHFFFAOYSA-N 1 1 343.431 0.241 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN([C@H](C)c1nncn1C)C1CC1 ZINC001266596322 836027812 /nfs/dbraw/zinc/02/78/12/836027812.db2.gz AHYSLJCIXXESDZ-ZBFHGGJFSA-N 1 1 344.463 0.554 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN([C@H](C)c1nncn1C)C1CC1 ZINC001266596322 836027822 /nfs/dbraw/zinc/02/78/22/836027822.db2.gz AHYSLJCIXXESDZ-ZBFHGGJFSA-N 1 1 344.463 0.554 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1ccc2c(c1)CCO2)C1CC1 ZINC001266611235 836045002 /nfs/dbraw/zinc/04/50/02/836045002.db2.gz AMCWLXYBERLYSW-UHFFFAOYSA-N 1 1 342.399 0.455 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1ccc2c(c1)CCO2)C1CC1 ZINC001266611235 836045005 /nfs/dbraw/zinc/04/50/05/836045005.db2.gz AMCWLXYBERLYSW-UHFFFAOYSA-N 1 1 342.399 0.455 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1c(C)nn(C)c1F)C1CC1 ZINC001266617696 836053419 /nfs/dbraw/zinc/05/34/19/836053419.db2.gz SRTYVMMNZAPZBS-UHFFFAOYSA-N 1 1 337.399 0.364 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1c(C)nn(C)c1F)C1CC1 ZINC001266617696 836053432 /nfs/dbraw/zinc/05/34/32/836053432.db2.gz SRTYVMMNZAPZBS-UHFFFAOYSA-N 1 1 337.399 0.364 20 30 ECEDMO Cc1ccoc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC#N ZINC001266643798 836079731 /nfs/dbraw/zinc/07/97/31/836079731.db2.gz PVUNLFJXDYJQRP-AGUYFDCRSA-N 1 1 330.388 0.953 20 30 ECEDMO Cc1ccoc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC#N ZINC001266643798 836079741 /nfs/dbraw/zinc/07/97/41/836079741.db2.gz PVUNLFJXDYJQRP-AGUYFDCRSA-N 1 1 330.388 0.953 20 30 ECEDMO CC(F)(F)CC(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266658242 836093227 /nfs/dbraw/zinc/09/32/27/836093227.db2.gz ASHCWOVRGVEBDG-STQMWFEESA-N 1 1 342.390 0.984 20 30 ECEDMO CC(F)(F)CC(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266658242 836093237 /nfs/dbraw/zinc/09/32/37/836093237.db2.gz ASHCWOVRGVEBDG-STQMWFEESA-N 1 1 342.390 0.984 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cnccn2)C1 ZINC001266656515 836093482 /nfs/dbraw/zinc/09/34/82/836093482.db2.gz WUFVZIXGHINUIP-ZBFHGGJFSA-N 1 1 343.431 0.705 20 30 ECEDMO Cc1cc(C(=O)N2CCC[C@@H]3C[N@H+](CC(=O)NCC#N)CC[C@H]32)on1 ZINC001266656542 836093892 /nfs/dbraw/zinc/09/38/92/836093892.db2.gz XRSJVUWYMGLICP-ZIAGYGMSSA-N 1 1 345.403 0.549 20 30 ECEDMO Cc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(=O)NCC#N)CC[C@H]32)on1 ZINC001266656542 836093902 /nfs/dbraw/zinc/09/39/02/836093902.db2.gz XRSJVUWYMGLICP-ZIAGYGMSSA-N 1 1 345.403 0.549 20 30 ECEDMO CCCOCC(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266658762 836094914 /nfs/dbraw/zinc/09/49/14/836094914.db2.gz IHDKEADGBPADQR-LSDHHAIUSA-N 1 1 336.436 0.366 20 30 ECEDMO CCCOCC(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266658762 836094922 /nfs/dbraw/zinc/09/49/22/836094922.db2.gz IHDKEADGBPADQR-LSDHHAIUSA-N 1 1 336.436 0.366 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]nc2C)C1 ZINC001266660593 836098448 /nfs/dbraw/zinc/09/84/48/836098448.db2.gz YQQSMKHGTYPDGJ-HOCLYGCPSA-N 1 1 343.431 0.394 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2nnc(C)[nH]2)C1 ZINC001266660298 836098641 /nfs/dbraw/zinc/09/86/41/836098641.db2.gz VZUORWFMWYGDMQ-JKSUJKDBSA-N 1 1 345.447 0.618 20 30 ECEDMO Cc1nc[nH]c1C(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266661992 836099981 /nfs/dbraw/zinc/09/99/81/836099981.db2.gz BSOCOQCLSSUCGD-KBPBESRZSA-N 1 1 344.419 0.284 20 30 ECEDMO Cc1nc[nH]c1C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266661992 836099996 /nfs/dbraw/zinc/09/99/96/836099996.db2.gz BSOCOQCLSSUCGD-KBPBESRZSA-N 1 1 344.419 0.284 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccncn2)C1 ZINC001266664288 836101994 /nfs/dbraw/zinc/10/19/94/836101994.db2.gz ZKDSXMLJSZVXFD-HOCLYGCPSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001279490169 836199503 /nfs/dbraw/zinc/19/95/03/836199503.db2.gz KGGCVOSLXNKICB-PBHICJAKSA-N 1 1 325.453 0.810 20 30 ECEDMO Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001266744097 836228914 /nfs/dbraw/zinc/22/89/14/836228914.db2.gz VJKLWIZCMXMSLA-AWEZNQCLSA-N 1 1 329.404 0.472 20 30 ECEDMO Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001266744097 836228926 /nfs/dbraw/zinc/22/89/26/836228926.db2.gz VJKLWIZCMXMSLA-AWEZNQCLSA-N 1 1 329.404 0.472 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001266748923 836237574 /nfs/dbraw/zinc/23/75/74/836237574.db2.gz BGSXTGSLTLYTDU-CABCVRRESA-N 1 1 330.432 0.903 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCCC)C1 ZINC001266760380 836259716 /nfs/dbraw/zinc/25/97/16/836259716.db2.gz FDUALYLKKNTHFK-XHSDSOJGSA-N 1 1 337.464 0.932 20 30 ECEDMO Cc1nc(C)c(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001266760232 836259957 /nfs/dbraw/zinc/25/99/57/836259957.db2.gz AIRJEXBZKAEWLX-ZDUSSCGKSA-N 1 1 332.408 0.108 20 30 ECEDMO Cc1nc(C)c(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001266760232 836259962 /nfs/dbraw/zinc/25/99/62/836259962.db2.gz AIRJEXBZKAEWLX-ZDUSSCGKSA-N 1 1 332.408 0.108 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccnc2C)C1 ZINC001266761025 836263693 /nfs/dbraw/zinc/26/36/93/836263693.db2.gz RNGPQOGYOQLXNX-INIZCTEOSA-N 1 1 342.443 0.510 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccnc(C)c2)C1 ZINC001266763999 836267274 /nfs/dbraw/zinc/26/72/74/836267274.db2.gz KRNZEKSGBBTFOU-HOTGVXAUSA-N 1 1 342.443 0.970 20 30 ECEDMO CC(C)n1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001266765147 836269863 /nfs/dbraw/zinc/26/98/63/836269863.db2.gz ZSZLNAWWMWWPJI-CQSZACIVSA-N 1 1 346.435 0.546 20 30 ECEDMO CC(C)n1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001266765147 836269870 /nfs/dbraw/zinc/26/98/70/836269870.db2.gz ZSZLNAWWMWWPJI-CQSZACIVSA-N 1 1 346.435 0.546 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001266766662 836272641 /nfs/dbraw/zinc/27/26/41/836272641.db2.gz IHIWEDDMBOFANQ-ZIAGYGMSSA-N 1 1 336.436 0.769 20 30 ECEDMO C#CCOCCC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1nnnn1C ZINC001266867846 836411760 /nfs/dbraw/zinc/41/17/60/836411760.db2.gz QGNXDQCNOPZVDT-KBPBESRZSA-N 1 1 334.424 0.282 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC(C)(C)O ZINC001266885692 836434144 /nfs/dbraw/zinc/43/41/44/836434144.db2.gz GDHZISQRCABTSU-HZPDHXFCSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2coc(OC)n2)C1 ZINC001266892722 836441430 /nfs/dbraw/zinc/44/14/30/836441430.db2.gz XDGFDGGGKMAOAP-OLZOCXBDSA-N 1 1 348.403 0.263 20 30 ECEDMO Cc1ccncc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266893161 836442528 /nfs/dbraw/zinc/44/25/28/836442528.db2.gz QDCRWONCDQLBNS-CABCVRRESA-N 1 1 343.431 0.860 20 30 ECEDMO Cc1ccncc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266893161 836442536 /nfs/dbraw/zinc/44/25/36/836442536.db2.gz QDCRWONCDQLBNS-CABCVRRESA-N 1 1 343.431 0.860 20 30 ECEDMO Cc1[nH]ccc1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266893390 836442703 /nfs/dbraw/zinc/44/27/03/836442703.db2.gz QLAZQMLRUAIBDA-JSGCOSHPSA-N 1 1 331.420 0.793 20 30 ECEDMO Cc1[nH]ccc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266893390 836442710 /nfs/dbraw/zinc/44/27/10/836442710.db2.gz QLAZQMLRUAIBDA-JSGCOSHPSA-N 1 1 331.420 0.793 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001266896047 836448113 /nfs/dbraw/zinc/44/81/13/836448113.db2.gz WIYQSHNEVANHRL-QWHCGFSZSA-N 1 1 329.466 0.164 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2nonc2C)C1 ZINC001266898266 836450398 /nfs/dbraw/zinc/45/03/98/836450398.db2.gz UICFEUDDVJVZHH-HIFRSBDPSA-N 1 1 334.420 0.787 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1n[nH]c2ccccc21 ZINC001266988875 836570607 /nfs/dbraw/zinc/57/06/07/836570607.db2.gz JBUXJFGMBLJDMA-NWDGAFQWSA-N 1 1 327.388 0.409 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001267010124 836609198 /nfs/dbraw/zinc/60/91/98/836609198.db2.gz KFDXAXVBZJXNSK-ZFWWWQNUSA-N 1 1 331.420 0.417 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)COC2CCCC2)C1 ZINC001267100978 836772412 /nfs/dbraw/zinc/77/24/12/836772412.db2.gz OWNUEMGYCBNTFB-AWEZNQCLSA-N 1 1 336.436 0.508 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)COC2CCCC2)C1 ZINC001267100978 836772420 /nfs/dbraw/zinc/77/24/20/836772420.db2.gz OWNUEMGYCBNTFB-AWEZNQCLSA-N 1 1 336.436 0.508 20 30 ECEDMO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001267110774 836795958 /nfs/dbraw/zinc/79/59/58/836795958.db2.gz BIRDQICOKWCSDE-CABCVRRESA-N 1 1 343.493 0.506 20 30 ECEDMO CC(C)c1oncc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267113532 836803579 /nfs/dbraw/zinc/80/35/79/836803579.db2.gz NHGORBPEYLLYCF-CYBMUJFWSA-N 1 1 347.419 0.974 20 30 ECEDMO CC(C)c1oncc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267113532 836803587 /nfs/dbraw/zinc/80/35/87/836803587.db2.gz NHGORBPEYLLYCF-CYBMUJFWSA-N 1 1 347.419 0.974 20 30 ECEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001267114692 836807021 /nfs/dbraw/zinc/80/70/21/836807021.db2.gz LCEDHPZSBKTTAT-AWEZNQCLSA-N 1 1 329.466 0.214 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cscn1 ZINC001267159925 836869883 /nfs/dbraw/zinc/86/98/83/836869883.db2.gz BLRQQATVZTYLFV-GFCCVEGCSA-N 1 1 335.433 0.757 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001267202485 836980256 /nfs/dbraw/zinc/98/02/56/836980256.db2.gz ANUMWGXGCYADMX-KGLIPLIRSA-N 1 1 333.436 0.184 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001267202485 836980263 /nfs/dbraw/zinc/98/02/63/836980263.db2.gz ANUMWGXGCYADMX-KGLIPLIRSA-N 1 1 333.436 0.184 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnn2ccc(C)nc12 ZINC001267226025 837024175 /nfs/dbraw/zinc/02/41/75/837024175.db2.gz KRSZRDVSDJXRFI-ZDUSSCGKSA-N 1 1 344.419 0.390 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnn2ccc(C)nc12 ZINC001267226025 837024188 /nfs/dbraw/zinc/02/41/88/837024188.db2.gz KRSZRDVSDJXRFI-ZDUSSCGKSA-N 1 1 344.419 0.390 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)COc2ccccc2)C1=O ZINC001267227366 837025405 /nfs/dbraw/zinc/02/54/05/837025405.db2.gz NFILGICAJAOSMA-MRXNPFEDSA-N 1 1 331.416 0.900 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)COc2ccccc2)C1=O ZINC001267227366 837025417 /nfs/dbraw/zinc/02/54/17/837025417.db2.gz NFILGICAJAOSMA-MRXNPFEDSA-N 1 1 331.416 0.900 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2cc(C)nn2C)C1=O ZINC001267237878 837047011 /nfs/dbraw/zinc/04/70/11/837047011.db2.gz BLYVXJQGWASSKZ-AWEZNQCLSA-N 1 1 333.436 0.567 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@@H+](CC)CC(=O)N1CCCC[C@@H]1C ZINC001267241301 837049439 /nfs/dbraw/zinc/04/94/39/837049439.db2.gz RGXSZRKFXIMTHV-HOTGVXAUSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@H+](CC)CC(=O)N1CCCC[C@@H]1C ZINC001267241301 837049448 /nfs/dbraw/zinc/04/94/48/837049448.db2.gz RGXSZRKFXIMTHV-HOTGVXAUSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2cnn3c2CCC3)C1=O ZINC001267242120 837050897 /nfs/dbraw/zinc/05/08/97/837050897.db2.gz BKZJTVXYIUWWEY-MRXNPFEDSA-N 1 1 345.447 0.668 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cnc2cc[nH]c2c1)CC(=O)NCC#N ZINC001267242850 837053254 /nfs/dbraw/zinc/05/32/54/837053254.db2.gz AULHSJFNESDXIK-UHFFFAOYSA-N 1 1 328.376 0.254 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cnc2cc[nH]c2c1)CC(=O)NCC#N ZINC001267242850 837053267 /nfs/dbraw/zinc/05/32/67/837053267.db2.gz AULHSJFNESDXIK-UHFFFAOYSA-N 1 1 328.376 0.254 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cnc2n1CCOC2 ZINC001267242952 837053308 /nfs/dbraw/zinc/05/33/08/837053308.db2.gz DJAGXDQAPJQYOD-CYBMUJFWSA-N 1 1 349.435 0.156 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cnc2n1CCOC2 ZINC001267242952 837053313 /nfs/dbraw/zinc/05/33/13/837053313.db2.gz DJAGXDQAPJQYOD-CYBMUJFWSA-N 1 1 349.435 0.156 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001267244571 837058175 /nfs/dbraw/zinc/05/81/75/837058175.db2.gz IOQKLYGMHCPERT-AWEZNQCLSA-N 1 1 343.427 0.811 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001267244571 837058184 /nfs/dbraw/zinc/05/81/84/837058184.db2.gz IOQKLYGMHCPERT-AWEZNQCLSA-N 1 1 343.427 0.811 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1ncn2ccc(C)cc12 ZINC001267245412 837059906 /nfs/dbraw/zinc/05/99/06/837059906.db2.gz IXNKWGHEBQZRFC-UHFFFAOYSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ncn2ccc(C)cc12 ZINC001267245412 837059920 /nfs/dbraw/zinc/05/99/20/837059920.db2.gz IXNKWGHEBQZRFC-UHFFFAOYSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[N@H+](CC)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001267247135 837060699 /nfs/dbraw/zinc/06/06/99/837060699.db2.gz AQJBWFBRLYDREL-AWEZNQCLSA-N 1 1 345.509 0.918 20 30 ECEDMO CC[N@H+](CCNC(=O)[C@@H]1CCNC1=O)Cc1cc(C#N)ccc1OC ZINC001267247559 837065342 /nfs/dbraw/zinc/06/53/42/837065342.db2.gz RBUBIAWQRNAPLB-OAHLLOKOSA-N 1 1 344.415 0.641 20 30 ECEDMO CC[N@@H+](CCNC(=O)[C@@H]1CCNC1=O)Cc1cc(C#N)ccc1OC ZINC001267247559 837065352 /nfs/dbraw/zinc/06/53/52/837065352.db2.gz RBUBIAWQRNAPLB-OAHLLOKOSA-N 1 1 344.415 0.641 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1ccc(C)[nH]c1=O ZINC001267250007 837067716 /nfs/dbraw/zinc/06/77/16/837067716.db2.gz BIFHFRUUMCHKQL-ZDUSSCGKSA-N 1 1 332.404 0.285 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1ccc(C)[nH]c1=O ZINC001267250007 837067721 /nfs/dbraw/zinc/06/77/21/837067721.db2.gz BIFHFRUUMCHKQL-ZDUSSCGKSA-N 1 1 332.404 0.285 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](CC)CCN1CCNC1=O ZINC001267252539 837071114 /nfs/dbraw/zinc/07/11/14/837071114.db2.gz RYJBRUVUZOVJKE-GJZGRUSLSA-N 1 1 338.452 0.431 20 30 ECEDMO CC[N@H+](CCNC(=O)[C@H]1COc2ccccc21)CC(=O)NCC#N ZINC001267259705 837087796 /nfs/dbraw/zinc/08/77/96/837087796.db2.gz SPYLRGCBGDAXED-AWEZNQCLSA-N 1 1 330.388 0.240 20 30 ECEDMO CC[N@@H+](CCNC(=O)[C@H]1COc2ccccc21)CC(=O)NCC#N ZINC001267259705 837087798 /nfs/dbraw/zinc/08/77/98/837087798.db2.gz SPYLRGCBGDAXED-AWEZNQCLSA-N 1 1 330.388 0.240 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC001267260786 837091543 /nfs/dbraw/zinc/09/15/43/837091543.db2.gz NGQAATIRESDKDF-UONOGXRCSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC001267260786 837091549 /nfs/dbraw/zinc/09/15/49/837091549.db2.gz NGQAATIRESDKDF-UONOGXRCSA-N 1 1 333.436 0.613 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CCC[N@H+]1C[C@@H](C)CS(C)(=O)=O ZINC001267265911 837101499 /nfs/dbraw/zinc/10/14/99/837101499.db2.gz CEROEICAUPLEJF-HUUCEWRRSA-N 1 1 328.478 0.907 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CCC[N@@H+]1C[C@@H](C)CS(C)(=O)=O ZINC001267265911 837101504 /nfs/dbraw/zinc/10/15/04/837101504.db2.gz CEROEICAUPLEJF-HUUCEWRRSA-N 1 1 328.478 0.907 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccn(C)n1 ZINC001267268387 837107668 /nfs/dbraw/zinc/10/76/68/837107668.db2.gz ZKLPLSJXHCURQC-ZFWWWQNUSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cc1ccn(C)n1 ZINC001267268387 837107672 /nfs/dbraw/zinc/10/76/72/837107672.db2.gz ZKLPLSJXHCURQC-ZFWWWQNUSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)NC(N)=O)CCC1 ZINC001267275121 837118400 /nfs/dbraw/zinc/11/84/00/837118400.db2.gz CUAZSCMBEZWMFW-QWHCGFSZSA-N 1 1 336.436 0.897 20 30 ECEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC(N)=O)CCC1 ZINC001267275121 837118412 /nfs/dbraw/zinc/11/84/12/837118412.db2.gz CUAZSCMBEZWMFW-QWHCGFSZSA-N 1 1 336.436 0.897 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)CC(=O)NCC(F)(F)F ZINC001267280574 837127972 /nfs/dbraw/zinc/12/79/72/837127972.db2.gz UXQJPMWMKAJXOT-GFCCVEGCSA-N 1 1 349.353 0.285 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001267279941 837128014 /nfs/dbraw/zinc/12/80/14/837128014.db2.gz ODUIMWOFZGRTGF-LBPRGKRZSA-N 1 1 327.375 0.752 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001267279941 837128019 /nfs/dbraw/zinc/12/80/19/837128019.db2.gz ODUIMWOFZGRTGF-LBPRGKRZSA-N 1 1 327.375 0.752 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001267284070 837133333 /nfs/dbraw/zinc/13/33/33/837133333.db2.gz WQJWKSSSIMLUSS-ZFWWWQNUSA-N 1 1 333.436 0.406 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001267284070 837133337 /nfs/dbraw/zinc/13/33/37/837133337.db2.gz WQJWKSSSIMLUSS-ZFWWWQNUSA-N 1 1 333.436 0.406 20 30 ECEDMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267291854 837144649 /nfs/dbraw/zinc/14/46/49/837144649.db2.gz NMPIEDJJLGQPSO-HOCLYGCPSA-N 1 1 328.416 0.533 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267294040 837150138 /nfs/dbraw/zinc/15/01/38/837150138.db2.gz BRTHTCUMOZHRSH-ZDUSSCGKSA-N 1 1 333.436 0.815 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267294040 837150144 /nfs/dbraw/zinc/15/01/44/837150144.db2.gz BRTHTCUMOZHRSH-ZDUSSCGKSA-N 1 1 333.436 0.815 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001267295783 837151101 /nfs/dbraw/zinc/15/11/01/837151101.db2.gz ANDLLZZTVJXAIP-LBPRGKRZSA-N 1 1 340.387 0.206 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001267295783 837151108 /nfs/dbraw/zinc/15/11/08/837151108.db2.gz ANDLLZZTVJXAIP-LBPRGKRZSA-N 1 1 340.387 0.206 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)c2nnc3ccccc3n2)C1 ZINC001267299171 837162869 /nfs/dbraw/zinc/16/28/69/837162869.db2.gz VQRNUWIQIJXKMW-AWEZNQCLSA-N 1 1 339.399 0.726 20 30 ECEDMO CC#CCCCC(=O)NC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267299871 837164263 /nfs/dbraw/zinc/16/42/63/837164263.db2.gz GRYVIRAPVMJCSZ-CQSZACIVSA-N 1 1 334.420 0.170 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2conc2C2CC2)C1 ZINC001267301689 837166308 /nfs/dbraw/zinc/16/63/08/837166308.db2.gz DMPUXYTXJWEKCT-NSHDSACASA-N 1 1 331.376 0.243 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2conc2C2CC2)C1 ZINC001267301689 837166313 /nfs/dbraw/zinc/16/63/13/837166313.db2.gz DMPUXYTXJWEKCT-NSHDSACASA-N 1 1 331.376 0.243 20 30 ECEDMO Cc1nc(C)c(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)s1 ZINC001267304837 837172261 /nfs/dbraw/zinc/17/22/61/837172261.db2.gz DBCPOTGWCVWTBR-LBPRGKRZSA-N 1 1 335.433 0.451 20 30 ECEDMO Cc1nc(C)c(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)s1 ZINC001267304837 837172267 /nfs/dbraw/zinc/17/22/67/837172267.db2.gz DBCPOTGWCVWTBR-LBPRGKRZSA-N 1 1 335.433 0.451 20 30 ECEDMO COc1cccc(CC(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267306572 837178426 /nfs/dbraw/zinc/17/84/26/837178426.db2.gz WCZHUVTYOGTBGY-HNNXBMFYSA-N 1 1 344.415 0.316 20 30 ECEDMO COc1cccc(CC(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267306572 837178429 /nfs/dbraw/zinc/17/84/29/837178429.db2.gz WCZHUVTYOGTBGY-HNNXBMFYSA-N 1 1 344.415 0.316 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccc3c2CCC3)C1 ZINC001267308631 837182884 /nfs/dbraw/zinc/18/28/84/837182884.db2.gz CTCKLFGYEPMKSU-HNNXBMFYSA-N 1 1 339.439 0.976 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cc(CC)n[nH]1)C1CC1 ZINC001267322011 837199031 /nfs/dbraw/zinc/19/90/31/837199031.db2.gz QRFFEAMIRBMZSU-GFCCVEGCSA-N 1 1 331.420 0.304 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cc(CC)n[nH]1)C1CC1 ZINC001267322011 837199034 /nfs/dbraw/zinc/19/90/34/837199034.db2.gz QRFFEAMIRBMZSU-GFCCVEGCSA-N 1 1 331.420 0.304 20 30 ECEDMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001267325764 837203544 /nfs/dbraw/zinc/20/35/44/837203544.db2.gz LTNJPWOTFSZUAH-RHSMWYFYSA-N 1 1 347.459 0.664 20 30 ECEDMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001267325764 837203548 /nfs/dbraw/zinc/20/35/48/837203548.db2.gz LTNJPWOTFSZUAH-RHSMWYFYSA-N 1 1 347.459 0.664 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[N@@H+](CCN1C(=O)CNC1=O)C1CC1 ZINC001267326301 837204019 /nfs/dbraw/zinc/20/40/19/837204019.db2.gz TZSGWJQMTYXLGK-UHFFFAOYSA-N 1 1 334.420 0.168 20 30 ECEDMO CC(C)(C)c1nc[nH]c1C(=O)NCC[N@H+](CC(=O)NCC#N)C1CC1 ZINC001267326439 837204207 /nfs/dbraw/zinc/20/42/07/837204207.db2.gz VXCRXNWJEPZSNW-UHFFFAOYSA-N 1 1 346.435 0.541 20 30 ECEDMO CC(C)(C)c1nc[nH]c1C(=O)NCC[N@@H+](CC(=O)NCC#N)C1CC1 ZINC001267326439 837204217 /nfs/dbraw/zinc/20/42/17/837204217.db2.gz VXCRXNWJEPZSNW-UHFFFAOYSA-N 1 1 346.435 0.541 20 30 ECEDMO C#CCNC(=O)[C@H](C)N(CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001267326669 837205135 /nfs/dbraw/zinc/20/51/35/837205135.db2.gz XXWZOXJHSPHDID-RDJZCZTQSA-N 1 1 348.491 0.578 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](CC(=O)N2CCCC2)C2CC2)c1 ZINC001267332497 837213722 /nfs/dbraw/zinc/21/37/22/837213722.db2.gz NIKXQXTZCXIPCW-UHFFFAOYSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CC(=O)N2CCCC2)C2CC2)c1 ZINC001267332497 837213729 /nfs/dbraw/zinc/21/37/29/837213729.db2.gz NIKXQXTZCXIPCW-UHFFFAOYSA-N 1 1 340.427 0.880 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(N)=O)C1CC1 ZINC001267336322 837220683 /nfs/dbraw/zinc/22/06/83/837220683.db2.gz MTKHHPDXFQBXDX-OAHLLOKOSA-N 1 1 336.436 0.150 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)Cc1ccccc1F)C1CC1 ZINC001267337368 837222503 /nfs/dbraw/zinc/22/25/03/837222503.db2.gz SMLVHOQHWZEVSW-UHFFFAOYSA-N 1 1 331.391 0.698 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)Cc1ccccc1F)C1CC1 ZINC001267337368 837222513 /nfs/dbraw/zinc/22/25/13/837222513.db2.gz SMLVHOQHWZEVSW-UHFFFAOYSA-N 1 1 331.391 0.698 20 30 ECEDMO CN1CC[C@@H]([NH2+][C@H](CNC(=O)CSCC#N)c2ccccc2)C1=O ZINC001267350551 837237729 /nfs/dbraw/zinc/23/77/29/837237729.db2.gz FKOOABMPMAJTPN-HUUCEWRRSA-N 1 1 346.456 0.921 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C1=CCOCC1)c1ccccc1 ZINC001267358187 837246391 /nfs/dbraw/zinc/24/63/91/837246391.db2.gz XTPFQISWMSFJRL-KRWDZBQOSA-N 1 1 341.411 0.530 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023648528 837265895 /nfs/dbraw/zinc/26/58/95/837265895.db2.gz XKMIYXMOUBDMIQ-LLVKDONJSA-N 1 1 327.812 0.620 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023648528 837265905 /nfs/dbraw/zinc/26/59/05/837265905.db2.gz XKMIYXMOUBDMIQ-LLVKDONJSA-N 1 1 327.812 0.620 20 30 ECEDMO CCc1nc(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(C)o1 ZINC001267583535 837851422 /nfs/dbraw/zinc/85/14/22/837851422.db2.gz PAMKVLVJMYFAIZ-CYBMUJFWSA-N 1 1 347.419 0.627 20 30 ECEDMO C=CCNC(=O)CN(C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267589605 837877336 /nfs/dbraw/zinc/87/73/36/837877336.db2.gz OVGBLMKBUNFBJI-OAHLLOKOSA-N 1 1 336.480 0.411 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1)c1cccnc1 ZINC001267593086 837888720 /nfs/dbraw/zinc/88/87/20/837888720.db2.gz CTNHFMCJGICHLQ-CABCVRRESA-N 1 1 343.431 0.605 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)C2=COCCO2)CC1 ZINC001267596008 837900533 /nfs/dbraw/zinc/90/05/33/837900533.db2.gz KPEWGTGECMMQPW-UHFFFAOYSA-N 1 1 337.420 0.347 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2n[nH]cc2C)CC1 ZINC001267599075 837909453 /nfs/dbraw/zinc/90/94/53/837909453.db2.gz BHEBXLYHQOSCIO-UHFFFAOYSA-N 1 1 331.420 0.252 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C[N@H+](C)CC(=O)NCCC)CC1 ZINC001267599293 837910865 /nfs/dbraw/zinc/91/08/65/837910865.db2.gz KAKIQAXTXHDZGQ-HNNXBMFYSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(C[N@@H+](C)CCNS(C)(=O)=O)CC1 ZINC001267599802 837914112 /nfs/dbraw/zinc/91/41/12/837914112.db2.gz CQNPHEGCHSUJCZ-UHFFFAOYSA-N 1 1 345.509 0.918 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCC(C[N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001267602918 837928649 /nfs/dbraw/zinc/92/86/49/837928649.db2.gz JEWVNHBCJVPQOI-KRWDZBQOSA-N 1 1 338.452 0.954 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC001267603219 837929775 /nfs/dbraw/zinc/92/97/75/837929775.db2.gz ROMYARLJOWONMK-UHFFFAOYSA-N 1 1 333.436 0.804 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2ncc(OC)cc2F)CC1 ZINC001267607396 837950758 /nfs/dbraw/zinc/95/07/58/837950758.db2.gz HOQNBSCSHYOPIO-UHFFFAOYSA-N 1 1 334.395 0.552 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001267615646 837998192 /nfs/dbraw/zinc/99/81/92/837998192.db2.gz HARPFVFARLOPHZ-GFCCVEGCSA-N 1 1 328.376 0.197 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001267615646 837998200 /nfs/dbraw/zinc/99/82/00/837998200.db2.gz HARPFVFARLOPHZ-GFCCVEGCSA-N 1 1 328.376 0.197 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cc(C(N)=O)cs2)CC1 ZINC001267618334 838050504 /nfs/dbraw/zinc/05/05/04/838050504.db2.gz MQEARSAVZLNMEP-UHFFFAOYSA-N 1 1 334.445 0.170 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001267619751 838056906 /nfs/dbraw/zinc/05/69/06/838056906.db2.gz BJVYODCMSAXANI-OAHLLOKOSA-N 1 1 348.451 0.283 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001267619751 838056895 /nfs/dbraw/zinc/05/68/95/838056895.db2.gz BJVYODCMSAXANI-OAHLLOKOSA-N 1 1 348.451 0.283 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@H](CCCC)C(N)=O)C1 ZINC001267627570 838076589 /nfs/dbraw/zinc/07/65/89/838076589.db2.gz AHYWBRKLMCPYFK-BBWFWOEESA-N 1 1 348.491 0.709 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@H](CCCC)C(N)=O)C1 ZINC001267627570 838076598 /nfs/dbraw/zinc/07/65/98/838076598.db2.gz AHYWBRKLMCPYFK-BBWFWOEESA-N 1 1 348.491 0.709 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC001267629955 838087374 /nfs/dbraw/zinc/08/73/74/838087374.db2.gz RWVRVZNFJOHCSE-CABCVRRESA-N 1 1 330.432 0.666 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC001267629955 838087389 /nfs/dbraw/zinc/08/73/89/838087389.db2.gz RWVRVZNFJOHCSE-CABCVRRESA-N 1 1 330.432 0.666 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001267629763 838087506 /nfs/dbraw/zinc/08/75/06/838087506.db2.gz JGIVWYIYGXVDIE-RYUDHWBXSA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001267629763 838087518 /nfs/dbraw/zinc/08/75/18/838087518.db2.gz JGIVWYIYGXVDIE-RYUDHWBXSA-N 1 1 335.408 0.011 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001267632694 838096529 /nfs/dbraw/zinc/09/65/29/838096529.db2.gz PHYUWBORHDFDLY-JSGCOSHPSA-N 1 1 331.420 0.250 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001267632694 838096538 /nfs/dbraw/zinc/09/65/38/838096538.db2.gz PHYUWBORHDFDLY-JSGCOSHPSA-N 1 1 331.420 0.250 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001267632694 838096547 /nfs/dbraw/zinc/09/65/47/838096547.db2.gz PHYUWBORHDFDLY-JSGCOSHPSA-N 1 1 331.420 0.250 20 30 ECEDMO CCOCCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267645579 838131551 /nfs/dbraw/zinc/13/15/51/838131551.db2.gz ASTHRVDSRAQICE-INIZCTEOSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N2CCCCC2)C1 ZINC001267646119 838132562 /nfs/dbraw/zinc/13/25/62/838132562.db2.gz LWAYYPBEUKEFRZ-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2nc(C)n3ccccc23)C1 ZINC001267686627 838249739 /nfs/dbraw/zinc/24/97/39/838249739.db2.gz RXGNKEITRKDVMA-UHFFFAOYSA-N 1 1 326.400 0.954 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001267693495 838277703 /nfs/dbraw/zinc/27/77/03/838277703.db2.gz IBNMOACCOBIHPJ-UHFFFAOYSA-N 1 1 344.337 0.750 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cc2nc[nH]n2)C1 ZINC001267696274 838284997 /nfs/dbraw/zinc/28/49/97/838284997.db2.gz QUJBVFDZLKSZNY-CYBMUJFWSA-N 1 1 348.451 0.208 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C)c2cccnc2)C1 ZINC001267698108 838288760 /nfs/dbraw/zinc/28/87/60/838288760.db2.gz VZPJVTUOMVHUBY-ZIAGYGMSSA-N 1 1 330.432 0.924 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cn2ccnc2)C1 ZINC001267700954 838298882 /nfs/dbraw/zinc/29/88/82/838298882.db2.gz KQVYJWKSQLGJJL-OAHLLOKOSA-N 1 1 347.463 0.744 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC001267701853 838302310 /nfs/dbraw/zinc/30/23/10/838302310.db2.gz AJZAWPXMVKTHDN-CYBMUJFWSA-N 1 1 348.834 0.878 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(COCC)CC2)C1=O ZINC001267708773 838318222 /nfs/dbraw/zinc/31/82/22/838318222.db2.gz LTRGIBVBKDJOGH-JYJNAYRXSA-N 1 1 347.459 0.875 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(COCC)CC2)C1=O ZINC001267708773 838318228 /nfs/dbraw/zinc/31/82/28/838318228.db2.gz LTRGIBVBKDJOGH-JYJNAYRXSA-N 1 1 347.459 0.875 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001267719628 838371785 /nfs/dbraw/zinc/37/17/85/838371785.db2.gz HMBXHOAZUGESMM-OBFMZJQYSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001267719628 838371792 /nfs/dbraw/zinc/37/17/92/838371792.db2.gz HMBXHOAZUGESMM-OBFMZJQYSA-N 1 1 336.436 0.934 20 30 ECEDMO Cc1cc[nH]c1C(=O)N1CCC(C[N@H+](C)CC(=O)NCC#N)CC1 ZINC001267724152 838384543 /nfs/dbraw/zinc/38/45/43/838384543.db2.gz BIAPTTXQWVHGJY-UHFFFAOYSA-N 1 1 331.420 0.747 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001267724804 838387418 /nfs/dbraw/zinc/38/74/18/838387418.db2.gz NRURBXFUPMVHQQ-RDJZCZTQSA-N 1 1 349.475 0.864 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)COc2cccc(OC)c2)C1 ZINC001267728419 838410623 /nfs/dbraw/zinc/41/06/23/838410623.db2.gz CNZIOFDMBKOWBP-HNNXBMFYSA-N 1 1 332.400 0.914 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)COc2cccc(OC)c2)C1 ZINC001267728419 838410626 /nfs/dbraw/zinc/41/06/26/838410626.db2.gz CNZIOFDMBKOWBP-HNNXBMFYSA-N 1 1 332.400 0.914 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001267732274 838423591 /nfs/dbraw/zinc/42/35/91/838423591.db2.gz LLFHXEROWBQKND-KRWDZBQOSA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001267732274 838423594 /nfs/dbraw/zinc/42/35/94/838423594.db2.gz LLFHXEROWBQKND-KRWDZBQOSA-N 1 1 327.428 0.926 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC001267733540 838425945 /nfs/dbraw/zinc/42/59/45/838425945.db2.gz SJVDDQBRJGNAQU-HOCLYGCPSA-N 1 1 335.448 0.331 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@]2(C)CCNC(=O)C2)CC1 ZINC001267733299 838426012 /nfs/dbraw/zinc/42/60/12/838426012.db2.gz JZQAZZKCPQCCNE-LJQANCHMSA-N 1 1 349.475 0.723 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C1 ZINC001267734802 838428932 /nfs/dbraw/zinc/42/89/32/838428932.db2.gz AAHNPJYLGYQFDF-DOTOQJQBSA-N 1 1 325.453 0.930 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001267740188 838438982 /nfs/dbraw/zinc/43/89/82/838438982.db2.gz XBVQDDQPEPFWPH-CRAIPNDOSA-N 1 1 332.448 0.987 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267744504 838447363 /nfs/dbraw/zinc/44/73/63/838447363.db2.gz SEDSIIQUDCOQEA-GXTWGEPZSA-N 1 1 333.436 0.396 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267744504 838447370 /nfs/dbraw/zinc/44/73/70/838447370.db2.gz SEDSIIQUDCOQEA-GXTWGEPZSA-N 1 1 333.436 0.396 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001267744305 838448506 /nfs/dbraw/zinc/44/85/06/838448506.db2.gz MUZFYPSQMGMBKL-HUUCEWRRSA-N 1 1 348.447 0.046 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001267744305 838448509 /nfs/dbraw/zinc/44/85/09/838448509.db2.gz MUZFYPSQMGMBKL-HUUCEWRRSA-N 1 1 348.447 0.046 20 30 ECEDMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CSCC#N)C1 ZINC001267756778 838482216 /nfs/dbraw/zinc/48/22/16/838482216.db2.gz MJUNSTDILBIAKW-CYBMUJFWSA-N 1 1 326.466 0.643 20 30 ECEDMO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CSCC#N)C1 ZINC001267756778 838482224 /nfs/dbraw/zinc/48/22/24/838482224.db2.gz MJUNSTDILBIAKW-CYBMUJFWSA-N 1 1 326.466 0.643 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001267768703 838508918 /nfs/dbraw/zinc/50/89/18/838508918.db2.gz RNZLWIDKTOABAL-KBPBESRZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001267768703 838508922 /nfs/dbraw/zinc/50/89/22/838508922.db2.gz RNZLWIDKTOABAL-KBPBESRZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001267769275 838513221 /nfs/dbraw/zinc/51/32/21/838513221.db2.gz VTFGCNQARYNSJB-HZPDHXFCSA-N 1 1 342.443 0.983 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001267769275 838513227 /nfs/dbraw/zinc/51/32/27/838513227.db2.gz VTFGCNQARYNSJB-HZPDHXFCSA-N 1 1 342.443 0.983 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267774123 838535330 /nfs/dbraw/zinc/53/53/30/838535330.db2.gz UIZMAAHXFSHXGI-CQSZACIVSA-N 1 1 331.482 0.767 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2nccn3cc(C)nc23)C1 ZINC001267775407 838538137 /nfs/dbraw/zinc/53/81/37/838538137.db2.gz REOMQSRLHWCKAQ-HNNXBMFYSA-N 1 1 341.415 0.834 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2nccn3cc(C)nc23)C1 ZINC001267775407 838538140 /nfs/dbraw/zinc/53/81/40/838538140.db2.gz REOMQSRLHWCKAQ-HNNXBMFYSA-N 1 1 341.415 0.834 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267783755 838559018 /nfs/dbraw/zinc/55/90/18/838559018.db2.gz KXVXKCBBHFYIGX-AWEZNQCLSA-N 1 1 334.420 0.120 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CCCCO2)C1 ZINC001267785734 838560706 /nfs/dbraw/zinc/56/07/06/838560706.db2.gz QGDLMSWANIZHKO-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CCCCO2)C1 ZINC001267785734 838560709 /nfs/dbraw/zinc/56/07/09/838560709.db2.gz QGDLMSWANIZHKO-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001267785253 838564259 /nfs/dbraw/zinc/56/42/59/838564259.db2.gz DXCBMLUHISQAII-AWEZNQCLSA-N 1 1 334.420 0.046 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(CC)on2)C1 ZINC001267790766 838571230 /nfs/dbraw/zinc/57/12/30/838571230.db2.gz SRZVMIIHPWJCDM-ZIAGYGMSSA-N 1 1 346.431 0.911 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(CC)on2)C1 ZINC001267790766 838571233 /nfs/dbraw/zinc/57/12/33/838571233.db2.gz SRZVMIIHPWJCDM-ZIAGYGMSSA-N 1 1 346.431 0.911 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001267795482 838575591 /nfs/dbraw/zinc/57/55/91/838575591.db2.gz YCFGQBWTDCHRSJ-YXIFDLGNSA-N 1 1 343.471 0.951 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001267795482 838575601 /nfs/dbraw/zinc/57/56/01/838575601.db2.gz YCFGQBWTDCHRSJ-YXIFDLGNSA-N 1 1 343.471 0.951 20 30 ECEDMO C#CCOCCC(=O)N1CCC2(CC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001267973763 838907416 /nfs/dbraw/zinc/90/74/16/838907416.db2.gz ZZERPVURZLWHCG-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3CCCN3C)CCCC2)C1=O ZINC001268033286 839080877 /nfs/dbraw/zinc/08/08/77/839080877.db2.gz LDDZNENXQYMKLW-CVEARBPZSA-N 1 1 348.491 0.886 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[N@@H+](C[C@@H]3CCc4ncnn43)CC2)c[nH]1 ZINC000981006235 839315448 /nfs/dbraw/zinc/31/54/48/839315448.db2.gz PJISGUFCRHJUPN-HNNXBMFYSA-N 1 1 339.403 0.813 20 30 ECEDMO N#Cc1ncn(CC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000426441271 210150414 /nfs/dbraw/zinc/15/04/14/210150414.db2.gz DMXAMKBYUZRMKS-INIZCTEOSA-N 1 1 338.415 0.831 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000047717336 213866163 /nfs/dbraw/zinc/86/61/63/213866163.db2.gz UWRZMWMYJZXPPM-CQSZACIVSA-N 1 1 335.429 0.901 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1c[nH+]c(N(C)C)n1C ZINC000425336009 210045501 /nfs/dbraw/zinc/04/55/01/210045501.db2.gz KCZIVWMWJFXFNF-CYBMUJFWSA-N 1 1 340.435 0.858 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCSCC3)CC2)o1 ZINC000103467582 219303002 /nfs/dbraw/zinc/30/30/02/219303002.db2.gz DCJRWSCJKPXNBL-UHFFFAOYSA-N 1 1 335.433 0.552 20 30 ECEDMO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000329640392 291003271 /nfs/dbraw/zinc/00/32/71/291003271.db2.gz ZURRWVIECZCIJR-APYLGABCSA-N 1 1 329.466 0.938 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001077918815 781940728 /nfs/dbraw/zinc/94/07/28/781940728.db2.gz GDLXTISJKSNZPM-HZPDHXFCSA-N 1 1 328.416 0.932 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000265175006 201213725 /nfs/dbraw/zinc/21/37/25/201213725.db2.gz FMBJRRNKSSSKPA-GDBMZVCRSA-N 1 1 349.431 0.896 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000266528227 201220583 /nfs/dbraw/zinc/22/05/83/201220583.db2.gz BKELMDJNCWKUNS-ZDUSSCGKSA-N 1 1 333.363 0.987 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc[nH+]c(N(C)C)c2)C1=O ZINC000267199710 201221756 /nfs/dbraw/zinc/22/17/56/201221756.db2.gz DYBOZSVKXSYOAK-UHFFFAOYSA-N 1 1 331.332 0.063 20 30 ECEDMO C=CC[C@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000273228140 201255718 /nfs/dbraw/zinc/25/57/18/201255718.db2.gz CZSUXOIRSDEUMA-KGLIPLIRSA-N 1 1 326.441 0.165 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC2C[NH+](C(C)C)C2)cc1 ZINC000275174192 201277066 /nfs/dbraw/zinc/27/70/66/201277066.db2.gz BDBMPAPDBKPGRB-UHFFFAOYSA-N 1 1 335.429 0.421 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)CO[C@@H](C)COC)c1 ZINC000278127527 201309196 /nfs/dbraw/zinc/30/91/96/201309196.db2.gz VSHZYBIUNDXQHI-WMLDXEAASA-N 1 1 334.416 0.951 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)CO[C@@H](C)COC)c1 ZINC000278127527 201309200 /nfs/dbraw/zinc/30/92/00/201309200.db2.gz VSHZYBIUNDXQHI-WMLDXEAASA-N 1 1 334.416 0.951 20 30 ECEDMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000330701168 437592894 /nfs/dbraw/zinc/59/28/94/437592894.db2.gz HJXIHRSNSOSVSR-LBPRGKRZSA-N 1 1 326.441 0.911 20 30 ECEDMO CN1CCO[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486355 207023341 /nfs/dbraw/zinc/02/33/41/207023341.db2.gz NWZAYVWVZLKWTM-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268712971 252162799 /nfs/dbraw/zinc/16/27/99/252162799.db2.gz UHAQTEMNXLTBGH-JKSUJKDBSA-N 1 1 337.445 0.995 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000337204947 285001938 /nfs/dbraw/zinc/00/19/38/285001938.db2.gz JLYYBHFNXQFQCR-AWEZNQCLSA-N 1 1 345.513 0.328 20 30 ECEDMO COC(=O)[C@@H]1CN(CCOc2ccc(C#N)cc2OC)CC[N@@H+](C)C1 ZINC000411903222 208160081 /nfs/dbraw/zinc/16/00/81/208160081.db2.gz JUEBRYURRMLSOO-HNNXBMFYSA-N 1 1 347.415 0.982 20 30 ECEDMO COC(=O)[C@H]1CN(C)CC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000411903222 208160087 /nfs/dbraw/zinc/16/00/87/208160087.db2.gz JUEBRYURRMLSOO-HNNXBMFYSA-N 1 1 347.415 0.982 20 30 ECEDMO COC(=O)[C@H]1CN(C)CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000411903222 208160092 /nfs/dbraw/zinc/16/00/92/208160092.db2.gz JUEBRYURRMLSOO-HNNXBMFYSA-N 1 1 347.415 0.982 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)C1 ZINC000329231387 296387935 /nfs/dbraw/zinc/38/79/35/296387935.db2.gz FFESOUVVEYJMNS-MLGOLLRUSA-N 1 1 337.424 0.463 20 30 ECEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000272048386 254536137 /nfs/dbraw/zinc/53/61/37/254536137.db2.gz YYOIKQBRHFRSLR-IRXDYDNUSA-N 1 1 346.406 0.601 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CCCNC2=O)CC1 ZINC000329811848 285320208 /nfs/dbraw/zinc/32/02/08/285320208.db2.gz RTIIPNLZAGWNAX-KGLIPLIRSA-N 1 1 325.457 0.883 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188821586 165002277 /nfs/dbraw/zinc/00/22/77/165002277.db2.gz OXTFQSKEOULIFN-GFCCVEGCSA-N 1 1 346.431 0.321 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188821586 165002278 /nfs/dbraw/zinc/00/22/78/165002278.db2.gz OXTFQSKEOULIFN-GFCCVEGCSA-N 1 1 346.431 0.321 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 ZINC000246487878 165136124 /nfs/dbraw/zinc/13/61/24/165136124.db2.gz RBHHOEJXMPMLHN-UKRRQHHQSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 ZINC000246487878 165136126 /nfs/dbraw/zinc/13/61/26/165136126.db2.gz RBHHOEJXMPMLHN-UKRRQHHQSA-N 1 1 344.419 0.106 20 30 ECEDMO C[C@H]1C[N@H+](CCN2CCN(c3nccnc3C#N)C[C@@H]2C)CCO1 ZINC000253355720 165208843 /nfs/dbraw/zinc/20/88/43/165208843.db2.gz GLVCRWIOSHUGDW-GJZGRUSLSA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@H]1C[N@@H+](CCN2CCN(c3nccnc3C#N)C[C@@H]2C)CCO1 ZINC000253355720 165208849 /nfs/dbraw/zinc/20/88/49/165208849.db2.gz GLVCRWIOSHUGDW-GJZGRUSLSA-N 1 1 330.436 0.579 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@@H+]1C[C@H](C)O ZINC000330423342 287204112 /nfs/dbraw/zinc/20/41/12/287204112.db2.gz SZBBHVLTTWYRJF-HZSPNIEDSA-N 1 1 332.470 0.242 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@H+]1C[C@H](C)O ZINC000330423342 287204114 /nfs/dbraw/zinc/20/41/14/287204114.db2.gz SZBBHVLTTWYRJF-HZSPNIEDSA-N 1 1 332.470 0.242 20 30 ECEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 ZINC000377069762 287274350 /nfs/dbraw/zinc/27/43/50/287274350.db2.gz CJPBNMMLCLFYGC-HUUCEWRRSA-N 1 1 335.452 0.922 20 30 ECEDMO Cn1cc(C#N)c(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000610564754 420596883 /nfs/dbraw/zinc/59/68/83/420596883.db2.gz VQKPBODNRRBNPL-NSHDSACASA-N 1 1 333.396 0.001 20 30 ECEDMO Cn1cc(C#N)c(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000610564752 420597593 /nfs/dbraw/zinc/59/75/93/420597593.db2.gz VQKPBODNRRBNPL-LLVKDONJSA-N 1 1 333.396 0.001 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001077966754 782033761 /nfs/dbraw/zinc/03/37/61/782033761.db2.gz GEGTXSHNCLCHIP-HUUCEWRRSA-N 1 1 331.376 0.270 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001077966754 782033766 /nfs/dbraw/zinc/03/37/66/782033766.db2.gz GEGTXSHNCLCHIP-HUUCEWRRSA-N 1 1 331.376 0.270 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001077966876 782034488 /nfs/dbraw/zinc/03/44/88/782034488.db2.gz MFMSHBWGDIXRMD-HUUCEWRRSA-N 1 1 331.376 0.270 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)nn1CCC#N ZINC000536624281 421230580 /nfs/dbraw/zinc/23/05/80/421230580.db2.gz MXXAFKGDZRXLRE-LBPRGKRZSA-N 1 1 332.408 0.502 20 30 ECEDMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000177525738 263153679 /nfs/dbraw/zinc/15/36/79/263153679.db2.gz WMWSHDZIVVTHGP-UHFFFAOYSA-N 1 1 330.388 0.412 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000284428542 264212638 /nfs/dbraw/zinc/21/26/38/264212638.db2.gz YJGMKMIJPSGTDZ-KGLIPLIRSA-N 1 1 344.371 0.854 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000284428542 264212639 /nfs/dbraw/zinc/21/26/39/264212639.db2.gz YJGMKMIJPSGTDZ-KGLIPLIRSA-N 1 1 344.371 0.854 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000376518178 270007618 /nfs/dbraw/zinc/00/76/18/270007618.db2.gz MDPNNJLPFBZQGV-BFHYXJOUSA-N 1 1 329.408 0.275 20 30 ECEDMO CCC[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC[N@H+]1CCOC ZINC000336991714 266068820 /nfs/dbraw/zinc/06/88/20/266068820.db2.gz LLRZVDKCSVWIJR-ZIAGYGMSSA-N 1 1 334.424 0.670 20 30 ECEDMO CCOCC[NH+]1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000357654013 266279133 /nfs/dbraw/zinc/27/91/33/266279133.db2.gz YUSSGDHHFPBDLS-UHFFFAOYSA-N 1 1 330.432 0.829 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)cn2)C1 ZINC000294778636 266600760 /nfs/dbraw/zinc/60/07/60/266600760.db2.gz NSPHJTGSEFLAIQ-ZIAGYGMSSA-N 1 1 327.388 0.834 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366763362 266794663 /nfs/dbraw/zinc/79/46/63/266794663.db2.gz ZLMKTVWRDOWSGK-KBPBESRZSA-N 1 1 331.372 0.535 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366763362 266794666 /nfs/dbraw/zinc/79/46/66/266794666.db2.gz ZLMKTVWRDOWSGK-KBPBESRZSA-N 1 1 331.372 0.535 20 30 ECEDMO C[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340998331 267203995 /nfs/dbraw/zinc/20/39/95/267203995.db2.gz SYCFVYSMOQCBJE-ZFWWWQNUSA-N 1 1 344.415 0.782 20 30 ECEDMO CN(C)c1ncccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000514931759 267295504 /nfs/dbraw/zinc/29/55/04/267295504.db2.gz BQMRMJHQNRSGKV-UHFFFAOYSA-N 1 1 345.428 0.978 20 30 ECEDMO N#Cc1cc2c(nc1N1CCC[C@@H](N3CC[NH2+]CC3=O)C1)CCC2 ZINC000333913696 268023024 /nfs/dbraw/zinc/02/30/24/268023024.db2.gz MFAMPYNVJWKUPZ-OAHLLOKOSA-N 1 1 325.416 0.843 20 30 ECEDMO Cn1ncc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1C#N ZINC000527245414 268131635 /nfs/dbraw/zinc/13/16/35/268131635.db2.gz YFYNONUSCJPXDY-AWEZNQCLSA-N 1 1 330.436 0.534 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)cc1F ZINC000291206921 268133961 /nfs/dbraw/zinc/13/39/61/268133961.db2.gz HCFKFCZLQUYEGA-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)cc1F ZINC000291206921 268133962 /nfs/dbraw/zinc/13/39/62/268133962.db2.gz HCFKFCZLQUYEGA-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000368336756 268137817 /nfs/dbraw/zinc/13/78/17/268137817.db2.gz QDLQYOJMEJJRGP-KBPBESRZSA-N 1 1 326.356 0.481 20 30 ECEDMO N#Cc1ccc([C@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C(N)=O)cc1 ZINC000360062932 268214105 /nfs/dbraw/zinc/21/41/05/268214105.db2.gz YUWUQCVLEJJKED-INIZCTEOSA-N 1 1 348.362 0.970 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001041716928 782045286 /nfs/dbraw/zinc/04/52/86/782045286.db2.gz HFADATJLCNXMCT-SUMWQHHRSA-N 1 1 334.420 0.475 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C(=O)Nc1cccnc1C ZINC000491781670 275380131 /nfs/dbraw/zinc/38/01/31/275380131.db2.gz NRIAKLGKKMOMGE-AWEZNQCLSA-N 1 1 331.420 0.971 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000268806296 277056682 /nfs/dbraw/zinc/05/66/82/277056682.db2.gz FWZDTLOAFPLSST-CYBMUJFWSA-N 1 1 344.375 0.604 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000330377345 279225464 /nfs/dbraw/zinc/22/54/64/279225464.db2.gz FEFJEFAOZQZQNH-ZIAGYGMSSA-N 1 1 346.497 0.490 20 30 ECEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 ZINC000377069760 290389953 /nfs/dbraw/zinc/38/99/53/290389953.db2.gz CJPBNMMLCLFYGC-GJZGRUSLSA-N 1 1 335.452 0.922 20 30 ECEDMO C[C@H](CNC(=O)N1CCO[C@@]2(CCOC2)C1)CN1CC[NH+](C)CC1 ZINC000329883376 298244998 /nfs/dbraw/zinc/24/49/98/298244998.db2.gz QYVKNUIIQHKUTF-WBVHZDCISA-N 1 1 340.468 0.275 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075968829 436181466 /nfs/dbraw/zinc/18/14/66/436181466.db2.gz VHJFHAFUOJWLQP-LSDHHAIUSA-N 1 1 338.452 0.573 20 30 ECEDMO C[C@@](O)(CNc1c(C#N)nnc2ccccc21)C[NH+]1CCOCC1 ZINC000078343555 436265490 /nfs/dbraw/zinc/26/54/90/436265490.db2.gz ZKHVIFRTYXLBKB-QGZVFWFLSA-N 1 1 327.388 0.997 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2scnc2C)CC1 ZINC000051099570 436482215 /nfs/dbraw/zinc/48/22/15/436482215.db2.gz LDJUKRSFJFBWAQ-LBPRGKRZSA-N 1 1 334.445 0.784 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](CC)CC2)c1 ZINC000055169621 436569538 /nfs/dbraw/zinc/56/95/38/436569538.db2.gz MXYMLOJPDGFYEH-UHFFFAOYSA-N 1 1 335.429 0.376 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000106329249 436592399 /nfs/dbraw/zinc/59/23/99/436592399.db2.gz FHANALUTBZAAKS-QGZVFWFLSA-N 1 1 344.415 0.953 20 30 ECEDMO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)S(C)(=O)=O ZINC000112791691 436633774 /nfs/dbraw/zinc/63/37/74/436633774.db2.gz LXUMOMBWODLJMG-ZDUSSCGKSA-N 1 1 337.445 0.882 20 30 ECEDMO C[NH+]=C(NC[C@H]1CCCN1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000113999641 436639179 /nfs/dbraw/zinc/63/91/79/436639179.db2.gz ZLMNUWWHJDWRPM-CQSZACIVSA-N 1 1 333.436 0.707 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2OC)C1 ZINC000546003542 302242583 /nfs/dbraw/zinc/24/25/83/302242583.db2.gz SCWWEOSTHZJVGT-ZDUSSCGKSA-N 1 1 346.387 0.342 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000119314917 436665418 /nfs/dbraw/zinc/66/54/18/436665418.db2.gz DZKFVEHPHIAOHS-UHFFFAOYSA-N 1 1 336.342 0.777 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000195102028 436678786 /nfs/dbraw/zinc/67/87/86/436678786.db2.gz ZQPOMUOPKIFNNY-UHFFFAOYSA-N 1 1 343.431 0.559 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1 ZINC000068445363 436745034 /nfs/dbraw/zinc/74/50/34/436745034.db2.gz GRUOVIZYWRVHTN-UHFFFAOYSA-N 1 1 327.384 0.580 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)C[C@H](C)O1 ZINC000153334471 436754725 /nfs/dbraw/zinc/75/47/25/436754725.db2.gz VFWTZBMUKSYKSR-RYUDHWBXSA-N 1 1 334.424 0.364 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245422650 436762850 /nfs/dbraw/zinc/76/28/50/436762850.db2.gz JAIYWDQPPRVMPA-DLBZAZTESA-N 1 1 335.496 0.849 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245422653 436763079 /nfs/dbraw/zinc/76/30/79/436763079.db2.gz JAIYWDQPPRVMPA-IAGOWNOFSA-N 1 1 335.496 0.849 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000153892331 436766049 /nfs/dbraw/zinc/76/60/49/436766049.db2.gz CXOHMLUIDXCAJQ-CYBMUJFWSA-N 1 1 338.452 0.871 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)CC1 ZINC000248826735 436810978 /nfs/dbraw/zinc/81/09/78/436810978.db2.gz KNJUWLYSQHWTKX-YYIAUSFCSA-N 1 1 336.480 0.912 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@](C)(C#N)COC)CC1=O ZINC000156168317 436812092 /nfs/dbraw/zinc/81/20/92/436812092.db2.gz YRDMUPRMTREPTP-CKEIUWERSA-N 1 1 336.436 0.364 20 30 ECEDMO N#Cc1cccc(NCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000156687219 436819144 /nfs/dbraw/zinc/81/91/44/436819144.db2.gz IENNACSDWHCSPJ-OAHLLOKOSA-N 1 1 343.431 0.674 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCOC[C@H]2C#N)CC1=O ZINC000246706733 436783845 /nfs/dbraw/zinc/78/38/45/436783845.db2.gz FLANJZVDESKKGO-RRFJBIMHSA-N 1 1 334.420 0.070 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCOC[C@@H]2C#N)CC1=O ZINC000246706747 436784519 /nfs/dbraw/zinc/78/45/19/436784519.db2.gz FLANJZVDESKKGO-ZNMIVQPWSA-N 1 1 334.420 0.070 20 30 ECEDMO COCC[NH+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000154910575 436786492 /nfs/dbraw/zinc/78/64/92/436786492.db2.gz DZTSPYADUSEXLM-UHFFFAOYSA-N 1 1 330.388 0.079 20 30 ECEDMO N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[nH]1 ZINC000155145925 436789335 /nfs/dbraw/zinc/78/93/35/436789335.db2.gz ZDOANDLQSKWESZ-UHFFFAOYSA-N 1 1 339.403 0.618 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000293110845 436849263 /nfs/dbraw/zinc/84/92/63/436849263.db2.gz OOCMIGASHDAEKX-UHFFFAOYSA-N 1 1 335.354 0.862 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000159139469 436853295 /nfs/dbraw/zinc/85/32/95/436853295.db2.gz BGXBWCIISGLGDJ-AWEZNQCLSA-N 1 1 335.408 0.177 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000159266224 436856412 /nfs/dbraw/zinc/85/64/12/436856412.db2.gz WYPQGWGAKAUJSB-TZMCWYRMSA-N 1 1 334.420 0.474 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000293267398 436862574 /nfs/dbraw/zinc/86/25/74/436862574.db2.gz FLCKETDFFOHBME-UHFFFAOYSA-N 1 1 344.415 0.679 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000293335805 436868241 /nfs/dbraw/zinc/86/82/41/436868241.db2.gz JTRIXPKCWJGWJQ-UHFFFAOYSA-N 1 1 327.335 0.158 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000292887101 436834892 /nfs/dbraw/zinc/83/48/92/436834892.db2.gz URZJQCPHUWQBCY-CQSZACIVSA-N 1 1 349.435 0.424 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cn(C)nc1-c1cnn(CC)c1 ZINC000293933795 436919859 /nfs/dbraw/zinc/91/98/59/436919859.db2.gz IDHQLKNAYJKBBZ-UHFFFAOYSA-N 1 1 328.420 0.988 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000293939244 436921945 /nfs/dbraw/zinc/92/19/45/436921945.db2.gz ZOEMWBCCYJHWGR-UHFFFAOYSA-N 1 1 330.435 0.335 20 30 ECEDMO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000134347534 436894896 /nfs/dbraw/zinc/89/48/96/436894896.db2.gz RASGCTZVRLBFEF-HOTGVXAUSA-N 1 1 337.445 0.994 20 30 ECEDMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000134347534 436894900 /nfs/dbraw/zinc/89/49/00/436894900.db2.gz RASGCTZVRLBFEF-HOTGVXAUSA-N 1 1 337.445 0.994 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCC)[C@@H](CC(=O)NCCC)C(N)=O)C1=O ZINC000281414643 436967810 /nfs/dbraw/zinc/96/78/10/436967810.db2.gz RKJPIAUTYHPYFR-KBPBESRZSA-N 1 1 338.452 0.256 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCC)[C@@H](CC(=O)NCCC)C(N)=O)C1=O ZINC000281414643 436967814 /nfs/dbraw/zinc/96/78/14/436967814.db2.gz RKJPIAUTYHPYFR-KBPBESRZSA-N 1 1 338.452 0.256 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)NCC[N@H+](C)CCOC)c1 ZINC000171199889 436971731 /nfs/dbraw/zinc/97/17/31/436971731.db2.gz DSPXQRHZHABMCO-UHFFFAOYSA-N 1 1 332.404 0.484 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(=O)OC)c1F ZINC000295974056 436982333 /nfs/dbraw/zinc/98/23/33/436982333.db2.gz HHDKEOZLXSCNLG-UHFFFAOYSA-N 1 1 349.362 0.622 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000136390201 436931956 /nfs/dbraw/zinc/93/19/56/436931956.db2.gz GVKSEOJTFKGKRZ-GFCCVEGCSA-N 1 1 348.378 0.720 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N[C@@H]1CCOc2ccccc21 ZINC000262820683 436943298 /nfs/dbraw/zinc/94/32/98/436943298.db2.gz YCFAOMWBZLWBLS-GOEBONIOSA-N 1 1 329.448 0.675 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000170812281 436954707 /nfs/dbraw/zinc/95/47/07/436954707.db2.gz DMNMPNZNXVQYPP-IRXDYDNUSA-N 1 1 331.416 0.704 20 30 ECEDMO N#Cc1c(F)cccc1N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000170912451 436960929 /nfs/dbraw/zinc/96/09/29/436960929.db2.gz VFPBKUVQGKFUDR-UHFFFAOYSA-N 1 1 326.397 0.498 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](O)c1cc(OC)ccc1OC ZINC000296494257 436993663 /nfs/dbraw/zinc/99/36/63/436993663.db2.gz BAHQTCPMZYTKJQ-MRXNPFEDSA-N 1 1 349.431 0.992 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284500305 437055676 /nfs/dbraw/zinc/05/56/76/437055676.db2.gz HAXLCLWECWLNBP-HOTGVXAUSA-N 1 1 334.424 0.159 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284500305 437055679 /nfs/dbraw/zinc/05/56/79/437055679.db2.gz HAXLCLWECWLNBP-HOTGVXAUSA-N 1 1 334.424 0.159 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000284953553 437076544 /nfs/dbraw/zinc/07/65/44/437076544.db2.gz JGAGYALDLWYBJT-KBXCAEBGSA-N 1 1 344.415 0.552 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000284953553 437076548 /nfs/dbraw/zinc/07/65/48/437076548.db2.gz JGAGYALDLWYBJT-KBXCAEBGSA-N 1 1 344.415 0.552 20 30 ECEDMO C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)C1=O ZINC000286059555 437086930 /nfs/dbraw/zinc/08/69/30/437086930.db2.gz RXJAJOKDEWHPID-UONOGXRCSA-N 1 1 338.452 0.078 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)NC1CC[NH+](CCOC(C)C)CC1 ZINC000177487458 437188319 /nfs/dbraw/zinc/18/83/19/437188319.db2.gz MEZCRFSBNNEQTE-AWEZNQCLSA-N 1 1 340.468 0.866 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000316985641 437190938 /nfs/dbraw/zinc/19/09/38/437190938.db2.gz KQHMCEZKJMBXIL-AWEZNQCLSA-N 1 1 342.442 0.499 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)C[C@@H](O)C3)CC2)o1 ZINC000332271619 437209124 /nfs/dbraw/zinc/20/91/24/437209124.db2.gz FJBVXORXXCAKIE-TZMCWYRMSA-N 1 1 347.419 0.206 20 30 ECEDMO COCC[N@H+](CCOc1ccc(C#N)cc1OC)CC(=O)N(C)C ZINC000265952832 437214247 /nfs/dbraw/zinc/21/42/47/437214247.db2.gz USRPFLVELCTWLD-UHFFFAOYSA-N 1 1 335.404 0.982 20 30 ECEDMO COCC[N@@H+](CCOc1ccc(C#N)cc1OC)CC(=O)N(C)C ZINC000265952832 437214251 /nfs/dbraw/zinc/21/42/51/437214251.db2.gz USRPFLVELCTWLD-UHFFFAOYSA-N 1 1 335.404 0.982 20 30 ECEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)N1CCN(c2ncccn2)CC1 ZINC000331836083 437166221 /nfs/dbraw/zinc/16/62/21/437166221.db2.gz BWIACVXAEUDOFA-RRFJBIMHSA-N 1 1 328.420 0.796 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000325387466 437229466 /nfs/dbraw/zinc/22/94/66/437229466.db2.gz BOSLIKQKAYGPSF-ZMSDIMECSA-N 1 1 329.400 0.898 20 30 ECEDMO CNC(=O)NC1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000328688910 437252660 /nfs/dbraw/zinc/25/26/60/437252660.db2.gz QFADBPPFQLRZSX-OBJOEFQTSA-N 1 1 326.441 0.464 20 30 ECEDMO C[N@H+](CCNS(=O)(=O)N1CCO[C@H](C#N)C1)Cc1ccccc1 ZINC000336906383 437307954 /nfs/dbraw/zinc/30/79/54/437307954.db2.gz FFAKOCKVELKABB-OAHLLOKOSA-N 1 1 338.433 0.177 20 30 ECEDMO C[N@@H+](CCNS(=O)(=O)N1CCO[C@H](C#N)C1)Cc1ccccc1 ZINC000336906383 437307956 /nfs/dbraw/zinc/30/79/56/437307956.db2.gz FFAKOCKVELKABB-OAHLLOKOSA-N 1 1 338.433 0.177 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000336925434 437312866 /nfs/dbraw/zinc/31/28/66/437312866.db2.gz WHKZFPHKAGWBFT-AWEZNQCLSA-N 1 1 345.513 0.280 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000336925434 437312868 /nfs/dbraw/zinc/31/28/68/437312868.db2.gz WHKZFPHKAGWBFT-AWEZNQCLSA-N 1 1 345.513 0.280 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000336934058 437313780 /nfs/dbraw/zinc/31/37/80/437313780.db2.gz DMNMSBGWMWFGLM-UHFFFAOYSA-N 1 1 337.449 0.992 20 30 ECEDMO CCC[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC[N@@H+]1CCOC ZINC000336936812 437314812 /nfs/dbraw/zinc/31/48/12/437314812.db2.gz GKVNFOMYDBGJJN-GJZGRUSLSA-N 1 1 346.497 0.755 20 30 ECEDMO CCC[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC[N@H+]1CCOC ZINC000336936812 437314817 /nfs/dbraw/zinc/31/48/17/437314817.db2.gz GKVNFOMYDBGJJN-GJZGRUSLSA-N 1 1 346.497 0.755 20 30 ECEDMO C#CCNc1nc(NC[C@H](C)CCO)nc(NC[C@H](C)CCO)[nH+]1 ZINC000288402791 437319054 /nfs/dbraw/zinc/31/90/54/437319054.db2.gz MYIZOIGMHNKOKI-CHWSQXEVSA-N 1 1 336.440 0.778 20 30 ECEDMO Cc1nc2ccnn2c(C)c1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000328878232 437275954 /nfs/dbraw/zinc/27/59/54/437275954.db2.gz KYMGHXSLUVVVNR-KRWDZBQOSA-N 1 1 347.419 0.734 20 30 ECEDMO O=C(N1CCCC1)[C@@]1(O)CCCN(C([O-])=[NH+]CCn2ccnc2)C1 ZINC000328956888 437292667 /nfs/dbraw/zinc/29/26/67/437292667.db2.gz NTOSBOPYORHBBC-MRXNPFEDSA-N 1 1 335.408 0.246 20 30 ECEDMO CCC(=O)N1CC[C@@H](NC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000329000625 437301200 /nfs/dbraw/zinc/30/12/00/437301200.db2.gz HMLQWDLUYIAOCC-RDBSUJKOSA-N 1 1 326.441 0.562 20 30 ECEDMO C[C@@H]1CN(C(=O)NCc2ccnc(N(C)C)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000329276459 437343645 /nfs/dbraw/zinc/34/36/45/437343645.db2.gz LEOVFHWDYNPPLJ-HIFRSBDPSA-N 1 1 348.451 0.609 20 30 ECEDMO CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000267924310 437343788 /nfs/dbraw/zinc/34/37/88/437343788.db2.gz CSYMMYCFLNRHLQ-UHFFFAOYSA-N 1 1 332.408 0.678 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCNC(=O)C2)[C@@H](C)C1 ZINC000329321312 437351536 /nfs/dbraw/zinc/35/15/36/437351536.db2.gz UJVUDPOFTZUUNF-KBPBESRZSA-N 1 1 325.457 0.835 20 30 ECEDMO C[NH+](C)CCN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000268143551 437374446 /nfs/dbraw/zinc/37/44/46/437374446.db2.gz DQWZLMFAIRXRJA-MRXNPFEDSA-N 1 1 349.456 0.678 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCC2(O)CCOCC2)[C@@H](C)C1 ZINC000329479452 437375023 /nfs/dbraw/zinc/37/50/23/437375023.db2.gz CQOMOYGNKYYKOB-KBPBESRZSA-N 1 1 329.441 0.219 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000337070428 437326280 /nfs/dbraw/zinc/32/62/80/437326280.db2.gz OBSCSPZDTGBFKY-UHFFFAOYSA-N 1 1 332.470 0.245 20 30 ECEDMO COc1ccc(CCNC(=[NH2+])NC[C@H]2CN(C)CCN2C)cc1OC ZINC000267452617 437326568 /nfs/dbraw/zinc/32/65/68/437326568.db2.gz RVNHJJGWLJGSNT-HNNXBMFYSA-N 1 1 349.479 0.396 20 30 ECEDMO C#CCNc1nc(NC[C@H]2CCOC2)nc(NC[C@H]2CCOC2)[nH+]1 ZINC000288609565 437337213 /nfs/dbraw/zinc/33/72/13/437337213.db2.gz WXECRQBDXUEOIZ-CHWSQXEVSA-N 1 1 332.408 0.814 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCCO1 ZINC000329239481 437339618 /nfs/dbraw/zinc/33/96/18/437339618.db2.gz QIZIIOOOBIOFMM-GJZGRUSLSA-N 1 1 339.436 0.835 20 30 ECEDMO CC[C@H](NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C(=O)N1CCOCC1 ZINC000329811673 437415692 /nfs/dbraw/zinc/41/56/92/437415692.db2.gz RNPYMKSKNGCEOC-AEGPPILISA-N 1 1 338.452 0.610 20 30 ECEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000329810383 437415842 /nfs/dbraw/zinc/41/58/42/437415842.db2.gz CJNRWWLIHBXNJR-KGLIPLIRSA-N 1 1 346.497 0.596 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329816903 437418318 /nfs/dbraw/zinc/41/83/18/437418318.db2.gz WKIDHPGFWUBDGL-KFWWJZLASA-N 1 1 338.452 0.706 20 30 ECEDMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329509354 437377544 /nfs/dbraw/zinc/37/75/44/437377544.db2.gz XGJMUCYMRZMEAB-CBBWQLFWSA-N 1 1 334.424 0.691 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000329921378 437430994 /nfs/dbraw/zinc/43/09/94/437430994.db2.gz SPVLDWSHGICZEJ-SECBINFHSA-N 1 1 332.330 1.067 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H](S(C)(=O)=O)C2)CCSC1 ZINC000329673209 437398855 /nfs/dbraw/zinc/39/88/55/437398855.db2.gz SRYNOUMHTMMFGR-JSGCOSHPSA-N 1 1 349.522 0.847 20 30 ECEDMO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC000338252622 437400305 /nfs/dbraw/zinc/40/03/05/437400305.db2.gz SLBMNFGLLOMNLS-CQSZACIVSA-N 1 1 349.460 0.357 20 30 ECEDMO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1C ZINC000329686649 437400524 /nfs/dbraw/zinc/40/05/24/437400524.db2.gz FSQIYYMQFUOTIG-CMPLNLGQSA-N 1 1 343.453 0.446 20 30 ECEDMO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000338235781 437400707 /nfs/dbraw/zinc/40/07/07/437400707.db2.gz MFITUAZMGZIXKN-HNNXBMFYSA-N 1 1 349.460 0.357 20 30 ECEDMO O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000330232677 437473253 /nfs/dbraw/zinc/47/32/53/437473253.db2.gz FPQGOQITQJTTBU-NEPJUHHUSA-N 1 1 348.369 0.744 20 30 ECEDMO Cn1nc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1OC(F)F ZINC000330250594 437474923 /nfs/dbraw/zinc/47/49/23/437474923.db2.gz NAQLZZIYNCTRMP-SECBINFHSA-N 1 1 332.355 0.593 20 30 ECEDMO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC1(O)CCOCC1 ZINC000186956725 437488128 /nfs/dbraw/zinc/48/81/28/437488128.db2.gz CDBIHWKDBNASTQ-UHFFFAOYSA-N 1 1 338.429 0.805 20 30 ECEDMO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC1(O)CCOCC1 ZINC000186956725 437488131 /nfs/dbraw/zinc/48/81/31/437488131.db2.gz CDBIHWKDBNASTQ-UHFFFAOYSA-N 1 1 338.429 0.805 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000290375128 437480787 /nfs/dbraw/zinc/48/07/87/437480787.db2.gz BEZGCVSCRUROBW-GOSISDBHSA-N 1 1 339.439 0.975 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC000186790274 437485379 /nfs/dbraw/zinc/48/53/79/437485379.db2.gz WWRVUPOCXLQLBK-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO C[C@H](CNC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)C[NH+]1CCOCC1 ZINC000329927536 437432570 /nfs/dbraw/zinc/43/25/70/437432570.db2.gz XAPRSPVZGKGXHV-BFYDXBDKSA-N 1 1 341.452 0.749 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCn3ncnc3C2)C[C@H](C)O1 ZINC000329936367 437435048 /nfs/dbraw/zinc/43/50/48/437435048.db2.gz RLOMFQORYIJYGF-BETUJISGSA-N 1 1 336.440 0.896 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCn3ncnc3C2)C[C@H](C)O1 ZINC000329936367 437435051 /nfs/dbraw/zinc/43/50/51/437435051.db2.gz RLOMFQORYIJYGF-BETUJISGSA-N 1 1 336.440 0.896 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000329945529 437436428 /nfs/dbraw/zinc/43/64/28/437436428.db2.gz JCPDYDADTSQVLS-TZMCWYRMSA-N 1 1 344.481 0.003 20 30 ECEDMO CCS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000330002081 437444263 /nfs/dbraw/zinc/44/42/63/437444263.db2.gz YNKMMCXFIFHGLH-AWEZNQCLSA-N 1 1 347.481 0.727 20 30 ECEDMO CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000339154974 437444482 /nfs/dbraw/zinc/44/44/82/437444482.db2.gz ARUIRIQDOBKJLO-KRWDZBQOSA-N 1 1 328.416 0.975 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000289887643 437447938 /nfs/dbraw/zinc/44/79/38/437447938.db2.gz SWRBQRCJPNBKGD-ZDUSSCGKSA-N 1 1 336.417 0.047 20 30 ECEDMO Cc1nccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000330101751 437453723 /nfs/dbraw/zinc/45/37/23/437453723.db2.gz FRFQAUDLFNBJDJ-ZDUSSCGKSA-N 1 1 332.408 0.569 20 30 ECEDMO C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1nncn1C ZINC000330105976 437455371 /nfs/dbraw/zinc/45/53/71/437455371.db2.gz KFBAXDCLDXTLIR-QWHCGFSZSA-N 1 1 349.439 0.029 20 30 ECEDMO C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000290003459 437457058 /nfs/dbraw/zinc/45/70/58/437457058.db2.gz INOPMTVZZGPOCU-OAHLLOKOSA-N 1 1 347.415 0.163 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC000330118572 437457809 /nfs/dbraw/zinc/45/78/09/437457809.db2.gz YTZNGMVNTBFYFF-UONOGXRCSA-N 1 1 337.424 0.901 20 30 ECEDMO C=C[C@@H](CO)NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000290070750 437461331 /nfs/dbraw/zinc/46/13/31/437461331.db2.gz BNQKSSVQEWFUCU-DZGCQCFKSA-N 1 1 332.404 0.805 20 30 ECEDMO C=C[C@@H](CO)NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000290070750 437461335 /nfs/dbraw/zinc/46/13/35/437461335.db2.gz BNQKSSVQEWFUCU-DZGCQCFKSA-N 1 1 332.404 0.805 20 30 ECEDMO [O-]C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)=[NH+][C@@H]1CCc2ncnn2C1 ZINC000330210765 437468886 /nfs/dbraw/zinc/46/88/86/437468886.db2.gz CMKQKGTZWJWZQU-KFWWJZLASA-N 1 1 348.451 0.474 20 30 ECEDMO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@@H]1CCc2ncnn2C1 ZINC000330210765 437468889 /nfs/dbraw/zinc/46/88/89/437468889.db2.gz CMKQKGTZWJWZQU-KFWWJZLASA-N 1 1 348.451 0.474 20 30 ECEDMO Cc1ccccc1C[NH+]1CCN(C(=O)NCc2nnn(C)n2)CC1 ZINC000330208494 437469394 /nfs/dbraw/zinc/46/93/94/437469394.db2.gz BBPLOQQPKHYIBP-UHFFFAOYSA-N 1 1 329.408 0.750 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000330391929 437500504 /nfs/dbraw/zinc/50/05/04/437500504.db2.gz PMPPMSVNIZCJIA-LLVKDONJSA-N 1 1 328.442 0.302 20 30 ECEDMO COCC[N@@H+]1CCN(C(=O)Nc2cc(C)n(CCC#N)n2)C[C@@H]1C ZINC000330694539 437591438 /nfs/dbraw/zinc/59/14/38/437591438.db2.gz IJLDIWSMQDDTOO-AWEZNQCLSA-N 1 1 334.424 1.290 20 30 ECEDMO COCC[N@H+]1CCN(C(=O)Nc2cc(C)n(CCC#N)n2)C[C@@H]1C ZINC000330694539 437591445 /nfs/dbraw/zinc/59/14/45/437591445.db2.gz IJLDIWSMQDDTOO-AWEZNQCLSA-N 1 1 334.424 1.290 20 30 ECEDMO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000330570121 437554684 /nfs/dbraw/zinc/55/46/84/437554684.db2.gz MKPRVRFSMJIADW-MCIONIFRSA-N 1 1 325.457 0.041 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C[C@@H]1C ZINC000330856513 437635209 /nfs/dbraw/zinc/63/52/09/437635209.db2.gz PVUJDOXJFGMJKR-ZDEQEGDKSA-N 1 1 328.413 0.370 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000331021937 437673055 /nfs/dbraw/zinc/67/30/55/437673055.db2.gz KWVXFWDJMQJNDM-QAPCUYQASA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC[C@H]2C)CC1 ZINC000192007983 437659513 /nfs/dbraw/zinc/65/95/13/437659513.db2.gz IHCOPWIXPIZQHI-CYBMUJFWSA-N 1 1 329.466 0.855 20 30 ECEDMO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000355034539 437664003 /nfs/dbraw/zinc/66/40/03/437664003.db2.gz GCDWADPHXGSOJW-NWDGAFQWSA-N 1 1 334.380 0.072 20 30 ECEDMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000355034539 437664006 /nfs/dbraw/zinc/66/40/06/437664006.db2.gz GCDWADPHXGSOJW-NWDGAFQWSA-N 1 1 334.380 0.072 20 30 ECEDMO CO[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000331007876 437669327 /nfs/dbraw/zinc/66/93/27/437669327.db2.gz QMXZTVKMEHTOAR-UONOGXRCSA-N 1 1 326.441 0.610 20 30 ECEDMO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000331011114 437670729 /nfs/dbraw/zinc/67/07/29/437670729.db2.gz FAHZSMLXJVJMQE-ZYHUDNBSSA-N 1 1 326.422 0.777 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCCN2CCCCC2=O)C[C@H]1C ZINC000330826643 437625481 /nfs/dbraw/zinc/62/54/81/437625481.db2.gz FUOPNQDBJWHRQL-CABCVRRESA-N 1 1 340.468 0.690 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000292659288 437711578 /nfs/dbraw/zinc/71/15/78/437711578.db2.gz INXSKTYKOZLJCT-UHFFFAOYSA-N 1 1 338.433 0.528 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000292659288 437711584 /nfs/dbraw/zinc/71/15/84/437711584.db2.gz INXSKTYKOZLJCT-UHFFFAOYSA-N 1 1 338.433 0.528 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000344873746 437767568 /nfs/dbraw/zinc/76/75/68/437767568.db2.gz HGQQCMTWOYXKCW-OAHLLOKOSA-N 1 1 335.452 0.970 20 30 ECEDMO COC(=O)C[C@H]1CCCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000331244859 437725941 /nfs/dbraw/zinc/72/59/41/437725941.db2.gz ZZZGHRTYEXTMIB-CYBMUJFWSA-N 1 1 340.424 0.092 20 30 ECEDMO C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000340805054 437740122 /nfs/dbraw/zinc/74/01/22/437740122.db2.gz VVYCIFZFTUGCKK-JKSUJKDBSA-N 1 1 338.496 0.847 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000346560315 437814816 /nfs/dbraw/zinc/81/48/16/437814816.db2.gz ANMXNUANJRFNFJ-MAUKXSAKSA-N 1 1 334.416 0.467 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1 ZINC000370949394 437860709 /nfs/dbraw/zinc/86/07/09/437860709.db2.gz ARCQNBXGSLXZTA-HZPDHXFCSA-N 1 1 335.429 0.748 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1 ZINC000370949394 437860714 /nfs/dbraw/zinc/86/07/14/437860714.db2.gz ARCQNBXGSLXZTA-HZPDHXFCSA-N 1 1 335.429 0.748 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COc2cccnc2C#N)C1 ZINC000357109382 437915655 /nfs/dbraw/zinc/91/56/55/437915655.db2.gz WMSPGJUNCSANCZ-CQSZACIVSA-N 1 1 332.404 0.805 20 30 ECEDMO OCC[C@@H]1CSCCN1CC#CC[N@H+]1CCSC[C@H]1CCO ZINC000341886587 437919298 /nfs/dbraw/zinc/91/92/98/437919298.db2.gz GQCYATHWRCXGMP-HZPDHXFCSA-N 1 1 344.546 0.589 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000341657745 437883170 /nfs/dbraw/zinc/88/31/70/437883170.db2.gz NKRGZJIYMHCFMR-HNNXBMFYSA-N 1 1 347.529 0.528 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000341657745 437883173 /nfs/dbraw/zinc/88/31/73/437883173.db2.gz NKRGZJIYMHCFMR-HNNXBMFYSA-N 1 1 347.529 0.528 20 30 ECEDMO Cc1cc(NC(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)nn1CCC#N ZINC000347573137 437909222 /nfs/dbraw/zinc/90/92/22/437909222.db2.gz WNCBBRNHFNUPQN-AWEZNQCLSA-N 1 1 334.424 1.026 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000425563853 438026968 /nfs/dbraw/zinc/02/69/68/438026968.db2.gz KBEYQZQYQQRXQK-ILXRZTDVSA-N 1 1 339.436 0.856 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000425563853 438026974 /nfs/dbraw/zinc/02/69/74/438026974.db2.gz KBEYQZQYQQRXQK-ILXRZTDVSA-N 1 1 339.436 0.856 20 30 ECEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000348186475 438028075 /nfs/dbraw/zinc/02/80/75/438028075.db2.gz NQGUVTFHTLLSIF-NHOQAQIYSA-N 1 1 336.436 0.228 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426144709 438048440 /nfs/dbraw/zinc/04/84/40/438048440.db2.gz GOBYHNCVCKICBY-NSHDSACASA-N 1 1 334.342 0.749 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366485932 438085258 /nfs/dbraw/zinc/08/52/58/438085258.db2.gz XAYTTWYTFRCEJA-IEBWSBKVSA-N 1 1 347.507 0.706 20 30 ECEDMO C=CCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000357944043 438106375 /nfs/dbraw/zinc/10/63/75/438106375.db2.gz HYRKUMXUTPQNJX-MRXNPFEDSA-N 1 1 335.448 0.877 20 30 ECEDMO CN1C[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCN2C1=O ZINC000373234777 438138846 /nfs/dbraw/zinc/13/88/46/438138846.db2.gz ZFKKNRKONLRWOC-AWEZNQCLSA-N 1 1 327.388 0.938 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373406923 438148235 /nfs/dbraw/zinc/14/82/35/438148235.db2.gz SVWHDSKPUQSMAK-NSHDSACASA-N 1 1 333.396 0.409 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000358083022 438146337 /nfs/dbraw/zinc/14/63/37/438146337.db2.gz KBOMBBQPIKHEOY-AWEZNQCLSA-N 1 1 338.452 0.115 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000358281308 438192986 /nfs/dbraw/zinc/19/29/86/438192986.db2.gz ZLEZGJHGYQAJNV-UHFFFAOYSA-N 1 1 331.420 0.330 20 30 ECEDMO C=CCOc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358128885 438162196 /nfs/dbraw/zinc/16/21/96/438162196.db2.gz SBZGRTKVWJSHAI-KRWDZBQOSA-N 1 1 333.388 0.373 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000374459436 438211834 /nfs/dbraw/zinc/21/18/34/438211834.db2.gz QMHPJHGRZUVNBG-ZDUSSCGKSA-N 1 1 341.437 0.203 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000374664491 438221664 /nfs/dbraw/zinc/22/16/64/438221664.db2.gz QDLWJDFDECURSE-HNNXBMFYSA-N 1 1 343.362 1.542 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000374664491 438221669 /nfs/dbraw/zinc/22/16/69/438221669.db2.gz QDLWJDFDECURSE-HNNXBMFYSA-N 1 1 343.362 1.542 20 30 ECEDMO C[C@@H]1C[C@@H](CNC(=O)NCC(=O)NCC#N)C[N@H+]1Cc1ccccc1 ZINC000367738551 438241775 /nfs/dbraw/zinc/24/17/75/438241775.db2.gz KLAHVSHPWCGAPZ-ZBFHGGJFSA-N 1 1 343.431 0.836 20 30 ECEDMO C[C@@H]1CN(C(=O)NCC(=O)NCC#N)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000358310147 438197960 /nfs/dbraw/zinc/19/79/60/438197960.db2.gz JBJJBQSBXONWHO-CABCVRRESA-N 1 1 343.431 0.931 20 30 ECEDMO Cn1c(N[C@@H]2C[N@H+](C)Cc3ccccc32)c(C#N)c(=O)n(C)c1=O ZINC000374337828 438204296 /nfs/dbraw/zinc/20/42/96/438204296.db2.gz AQJSFPLHQYSOCW-CQSZACIVSA-N 1 1 325.372 0.554 20 30 ECEDMO Cn1c(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(C#N)c(=O)n(C)c1=O ZINC000374337828 438204300 /nfs/dbraw/zinc/20/43/00/438204300.db2.gz AQJSFPLHQYSOCW-CQSZACIVSA-N 1 1 325.372 0.554 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000376240847 438274880 /nfs/dbraw/zinc/27/48/80/438274880.db2.gz HWHRQDOXDVEUIG-AWEZNQCLSA-N 1 1 327.450 0.144 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000376240847 438274881 /nfs/dbraw/zinc/27/48/81/438274881.db2.gz HWHRQDOXDVEUIG-AWEZNQCLSA-N 1 1 327.450 0.144 20 30 ECEDMO C[C@@H]1C[NH+](CCCCNS(=O)(=O)N(C)CCC#N)C[C@@H](C)O1 ZINC000351592789 438295490 /nfs/dbraw/zinc/29/54/90/438295490.db2.gz AKQUNNDJPVSDAV-ZIAGYGMSSA-N 1 1 332.470 0.556 20 30 ECEDMO Cc1[nH+]c(CNS(=O)(=O)N(C)C[C@@H](C)C#N)c2n1CCCC2 ZINC000369195169 438437487 /nfs/dbraw/zinc/43/74/87/438437487.db2.gz TZQOMWLZJVBNFX-NSHDSACASA-N 1 1 325.438 0.954 20 30 ECEDMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3c[nH]c(C#N)c3)cn2)CC1 ZINC000352386669 438415986 /nfs/dbraw/zinc/41/59/86/438415986.db2.gz DKGLSNSCGHXDFW-UHFFFAOYSA-N 1 1 341.375 0.109 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359354333 438417244 /nfs/dbraw/zinc/41/72/44/438417244.db2.gz TXFFLJBLOCUGTQ-HZPDHXFCSA-N 1 1 349.479 0.243 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000369325687 438454605 /nfs/dbraw/zinc/45/46/05/438454605.db2.gz YAICKSVBXIEDNM-UHFFFAOYSA-N 1 1 348.491 0.993 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000447394004 438676374 /nfs/dbraw/zinc/67/63/74/438676374.db2.gz PNCYFCHFKCQOAA-HOTGVXAUSA-N 1 1 328.453 0.757 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000447394004 438676377 /nfs/dbraw/zinc/67/63/77/438676377.db2.gz PNCYFCHFKCQOAA-HOTGVXAUSA-N 1 1 328.453 0.757 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000447395083 438676762 /nfs/dbraw/zinc/67/67/62/438676762.db2.gz RNDGUQNTNPPEQR-YSVLISHTSA-N 1 1 339.436 0.141 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000447395083 438676764 /nfs/dbraw/zinc/67/67/64/438676764.db2.gz RNDGUQNTNPPEQR-YSVLISHTSA-N 1 1 339.436 0.141 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000447389036 438677322 /nfs/dbraw/zinc/67/73/22/438677322.db2.gz YDMORUOLZSKUFW-RBSFLKMASA-N 1 1 327.425 0.093 20 30 ECEDMO C=CC[N@H+](C)CCN(CC)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000411637824 438679771 /nfs/dbraw/zinc/67/97/71/438679771.db2.gz BFTADALKBHREOG-UHFFFAOYSA-N 1 1 346.479 0.565 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411966615 438682505 /nfs/dbraw/zinc/68/25/05/438682505.db2.gz GWVUBZFEAOWFDQ-KRWDZBQOSA-N 1 1 330.388 0.127 20 30 ECEDMO COC(=O)[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)CC[N@@H+](C)C1 ZINC000411902049 438684078 /nfs/dbraw/zinc/68/40/78/438684078.db2.gz HQOFGMXOHWHUAZ-AWEZNQCLSA-N 1 1 336.436 0.366 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000412069748 438685228 /nfs/dbraw/zinc/68/52/28/438685228.db2.gz HYXVACDXMDSHBI-QWHCGFSZSA-N 1 1 327.450 0.833 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000412069748 438685231 /nfs/dbraw/zinc/68/52/31/438685231.db2.gz HYXVACDXMDSHBI-QWHCGFSZSA-N 1 1 327.450 0.833 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453599779 438685550 /nfs/dbraw/zinc/68/55/50/438685550.db2.gz QDCDWZDBQAOGHL-UHFFFAOYSA-N 1 1 332.404 0.776 20 30 ECEDMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453700433 438689167 /nfs/dbraw/zinc/68/91/67/438689167.db2.gz AAMHMHKVDWCFDT-MRXNPFEDSA-N 1 1 344.415 0.606 20 30 ECEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@H]1C ZINC000453710458 438690273 /nfs/dbraw/zinc/69/02/73/438690273.db2.gz DHCPCNLSNHENCX-KGLIPLIRSA-N 1 1 344.415 0.605 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@H]1C ZINC000453710458 438690276 /nfs/dbraw/zinc/69/02/76/438690276.db2.gz DHCPCNLSNHENCX-KGLIPLIRSA-N 1 1 344.415 0.605 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)NCC#Cc2ccccc2)CC[N@@H+](C)C1 ZINC000413078197 438690709 /nfs/dbraw/zinc/69/07/09/438690709.db2.gz VQIZYBILNAJXND-MRXNPFEDSA-N 1 1 329.400 0.784 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000451598703 438700378 /nfs/dbraw/zinc/70/03/78/438700378.db2.gz LZFPWHZHJIDDOR-OAGGEKHMSA-N 1 1 325.453 0.393 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494703146 438704959 /nfs/dbraw/zinc/70/49/59/438704959.db2.gz LYWXJBXRVOKYHN-KBPBESRZSA-N 1 1 329.466 0.589 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494703146 438704960 /nfs/dbraw/zinc/70/49/60/438704960.db2.gz LYWXJBXRVOKYHN-KBPBESRZSA-N 1 1 329.466 0.589 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000451653359 438705564 /nfs/dbraw/zinc/70/55/64/438705564.db2.gz AMMUZMSIBVOLPI-MRXNPFEDSA-N 1 1 337.445 0.824 20 30 ECEDMO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000555104235 438771881 /nfs/dbraw/zinc/77/18/81/438771881.db2.gz CUUSRNWEFVKVDR-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO C[C@@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](C)[N@@H+]1CCO ZINC000595519709 438815345 /nfs/dbraw/zinc/81/53/45/438815345.db2.gz ZPHUXZMQWGYRLN-JZXOWHBKSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](C)N1CCO ZINC000595519709 438815351 /nfs/dbraw/zinc/81/53/51/438815351.db2.gz ZPHUXZMQWGYRLN-JZXOWHBKSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](C)N1CCO ZINC000595519709 438815352 /nfs/dbraw/zinc/81/53/52/438815352.db2.gz ZPHUXZMQWGYRLN-JZXOWHBKSA-N 1 1 347.459 0.879 20 30 ECEDMO N#Cc1cscc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000590255502 438903293 /nfs/dbraw/zinc/90/32/93/438903293.db2.gz RXUPISRPNIVYJU-CQSZACIVSA-N 1 1 334.445 0.756 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@](C)(C#N)C1)c(=O)n2C ZINC000595841499 438867417 /nfs/dbraw/zinc/86/74/17/438867417.db2.gz VIRYSNHFTIOZGA-MRXNPFEDSA-N 1 1 330.392 0.059 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@](C)(C#N)C1)c(=O)n2C ZINC000595841499 438867419 /nfs/dbraw/zinc/86/74/19/438867419.db2.gz VIRYSNHFTIOZGA-MRXNPFEDSA-N 1 1 330.392 0.059 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000589408537 438869399 /nfs/dbraw/zinc/86/93/99/438869399.db2.gz YTZNAKVSYZXMCX-YGRLFVJLSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000589408537 438869404 /nfs/dbraw/zinc/86/94/04/438869404.db2.gz YTZNAKVSYZXMCX-YGRLFVJLSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000564306866 438872960 /nfs/dbraw/zinc/87/29/60/438872960.db2.gz WNLFWSMMOWMFRL-CHWSQXEVSA-N 1 1 342.490 0.868 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000577859528 438877074 /nfs/dbraw/zinc/87/70/74/438877074.db2.gz CVJSTFWAOZMKTC-ZDUSSCGKSA-N 1 1 333.413 0.685 20 30 ECEDMO C[NH+]1CCN(CC2CN(C(=O)COc3ccc(C#N)cc3)C2)CC1 ZINC000590399115 438919314 /nfs/dbraw/zinc/91/93/14/438919314.db2.gz HBGZUNRGENXZFH-UHFFFAOYSA-N 1 1 328.416 0.643 20 30 ECEDMO COc1ccc(COC[C@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000578376097 438920554 /nfs/dbraw/zinc/92/05/54/438920554.db2.gz QBLXBIIJTWLFSG-MRXNPFEDSA-N 1 1 347.415 0.631 20 30 ECEDMO CC(C)N(CCCNC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N)S(C)(=O)=O ZINC000459462389 438967916 /nfs/dbraw/zinc/96/79/16/438967916.db2.gz JMRRUZPZRCKKIQ-KGLIPLIRSA-N 1 1 344.481 0.445 20 30 ECEDMO Cc1nsc(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1C#N ZINC000459585295 438977502 /nfs/dbraw/zinc/97/75/02/438977502.db2.gz OZYSOGINMYHIKJ-CQSZACIVSA-N 1 1 339.421 0.528 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000602040144 439001421 /nfs/dbraw/zinc/00/14/21/439001421.db2.gz WHIHYVHIDQIUPE-IINYFYTJSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000602040144 439001425 /nfs/dbraw/zinc/00/14/25/439001425.db2.gz WHIHYVHIDQIUPE-IINYFYTJSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000602116258 439013915 /nfs/dbraw/zinc/01/39/15/439013915.db2.gz CJMWTPRCHBQBTH-HIFRSBDPSA-N 1 1 328.420 0.870 20 30 ECEDMO N#C[C@H](CO)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000602157419 439026975 /nfs/dbraw/zinc/02/69/75/439026975.db2.gz FCWIMWHNLXGYMU-JFIYKMOQSA-N 1 1 329.400 0.526 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000597471680 439105765 /nfs/dbraw/zinc/10/57/65/439105765.db2.gz YXXNNYIWUQDOSI-UKRRQHHQSA-N 1 1 339.436 0.553 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000597471680 439105770 /nfs/dbraw/zinc/10/57/70/439105770.db2.gz YXXNNYIWUQDOSI-UKRRQHHQSA-N 1 1 339.436 0.553 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000597329901 439078287 /nfs/dbraw/zinc/07/82/87/439078287.db2.gz VVZDLHVJMPZMJI-ZFWWWQNUSA-N 1 1 339.436 0.553 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592150847 439166731 /nfs/dbraw/zinc/16/67/31/439166731.db2.gz HPLNHJYFMMFOIA-NVXWUHKLSA-N 1 1 333.436 0.029 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592150847 439166736 /nfs/dbraw/zinc/16/67/36/439166736.db2.gz HPLNHJYFMMFOIA-NVXWUHKLSA-N 1 1 333.436 0.029 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000488020282 439169946 /nfs/dbraw/zinc/16/99/46/439169946.db2.gz BNBKQZDRLDZVLE-QZTJIDSGSA-N 1 1 349.523 0.951 20 30 ECEDMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3ccc(CC#N)cc3)[C@H]2C1 ZINC000581130146 439173624 /nfs/dbraw/zinc/17/36/24/439173624.db2.gz IGPXRDADAXUZAH-IRXDYDNUSA-N 1 1 340.427 0.921 20 30 ECEDMO C[C@H]1C[NH+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)N1CC#N ZINC000602854604 439144848 /nfs/dbraw/zinc/14/48/48/439144848.db2.gz CYAFLDNQWBHYPK-KBPBESRZSA-N 1 1 333.436 0.769 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(C#N)s2)CC1 ZINC000487489121 439151144 /nfs/dbraw/zinc/15/11/44/439151144.db2.gz KBAOYYXZHUSZCX-CYBMUJFWSA-N 1 1 332.429 0.998 20 30 ECEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592147319 439163844 /nfs/dbraw/zinc/16/38/44/439163844.db2.gz NXPPSEZXWRVFGX-RDJZCZTQSA-N 1 1 333.388 0.735 20 30 ECEDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000592389557 439219288 /nfs/dbraw/zinc/21/92/88/439219288.db2.gz XVTVIHCADSVLIS-AWEZNQCLSA-N 1 1 337.401 0.392 20 30 ECEDMO C[NH+]1CCN(C(=O)Cn2cc(COc3cccc(C#N)c3)nn2)CC1 ZINC000603179565 439203594 /nfs/dbraw/zinc/20/35/94/439203594.db2.gz YHRTXQIMSINXJI-UHFFFAOYSA-N 1 1 340.387 0.503 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000490635130 439282228 /nfs/dbraw/zinc/28/22/28/439282228.db2.gz CZPNRTCVEQCGHU-ZDUSSCGKSA-N 1 1 335.429 0.374 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000490635130 439282233 /nfs/dbraw/zinc/28/22/33/439282233.db2.gz CZPNRTCVEQCGHU-ZDUSSCGKSA-N 1 1 335.429 0.374 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c[nH]1 ZINC000603412676 439256084 /nfs/dbraw/zinc/25/60/84/439256084.db2.gz RYBKGDKTGRLMAO-OAHLLOKOSA-N 1 1 331.420 0.413 20 30 ECEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2cccnc2C#N)CC1 ZINC000603401725 439256563 /nfs/dbraw/zinc/25/65/63/439256563.db2.gz HFQFXDDWRIIMMT-UHFFFAOYSA-N 1 1 337.449 0.259 20 30 ECEDMO COCCNC(=O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000603445460 439261155 /nfs/dbraw/zinc/26/11/55/439261155.db2.gz NLZMQDJGFSXYHT-QGZVFWFLSA-N 1 1 338.452 0.515 20 30 ECEDMO C[C@@]1(C#N)CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000603436605 439261975 /nfs/dbraw/zinc/26/19/75/439261975.db2.gz PCQQQBZULHWRNQ-WMZOPIPTSA-N 1 1 349.479 0.728 20 30 ECEDMO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000603558294 439269267 /nfs/dbraw/zinc/26/92/67/439269267.db2.gz UPPNXNCIHQASPM-CQSZACIVSA-N 1 1 344.415 0.558 20 30 ECEDMO C#CCN(C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)C1CCCC1 ZINC000491072105 439328790 /nfs/dbraw/zinc/32/87/90/439328790.db2.gz PREWNTBCCKTJSV-UHFFFAOYSA-N 1 1 348.491 0.533 20 30 ECEDMO CN(C[C@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO1)c1cccnn1 ZINC000598596859 439285255 /nfs/dbraw/zinc/28/52/55/439285255.db2.gz UOTFOSQTFNBPCD-GJZGRUSLSA-N 1 1 333.436 0.914 20 30 ECEDMO CN(C[C@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO1)c1cccnn1 ZINC000598596859 439285259 /nfs/dbraw/zinc/28/52/59/439285259.db2.gz UOTFOSQTFNBPCD-GJZGRUSLSA-N 1 1 333.436 0.914 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1 ZINC000490656394 439285808 /nfs/dbraw/zinc/28/58/08/439285808.db2.gz JKFUEKWVDRKBMP-AWEZNQCLSA-N 1 1 349.456 0.764 20 30 ECEDMO N#CC[C@@]1(O)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000592846569 439290866 /nfs/dbraw/zinc/29/08/66/439290866.db2.gz XNYCENPFXFSQCH-FUHWJXTLSA-N 1 1 329.400 0.764 20 30 ECEDMO N#CC[C@@]1(O)CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000592846569 439290872 /nfs/dbraw/zinc/29/08/72/439290872.db2.gz XNYCENPFXFSQCH-FUHWJXTLSA-N 1 1 329.400 0.764 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)O1 ZINC000598680963 439302427 /nfs/dbraw/zinc/30/24/27/439302427.db2.gz CMUIDSOQAOXHBP-CZUORRHYSA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)O1 ZINC000598680963 439302430 /nfs/dbraw/zinc/30/24/30/439302430.db2.gz CMUIDSOQAOXHBP-CZUORRHYSA-N 1 1 343.431 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)Cn1c2ccccc2n(C)c1=O ZINC000490894055 439306521 /nfs/dbraw/zinc/30/65/21/439306521.db2.gz ZCVBHLGRPGMHAX-AWEZNQCLSA-N 1 1 327.384 0.981 20 30 ECEDMO COCCOCC[NH+]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000593114395 439344990 /nfs/dbraw/zinc/34/49/90/439344990.db2.gz ABEFDSXRLJWVDL-QGZVFWFLSA-N 1 1 340.468 0.321 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000491200986 439347694 /nfs/dbraw/zinc/34/76/94/439347694.db2.gz DTUNQHBBVAKWDP-LBPRGKRZSA-N 1 1 333.354 0.907 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC000491210106 439349350 /nfs/dbraw/zinc/34/93/50/439349350.db2.gz QANXQUYFYCIQIS-UHFFFAOYSA-N 1 1 329.444 0.995 20 30 ECEDMO C#CCN1CCN(C(=O)CONC(=[NH2+])c2ccc(F)cc2F)CC1 ZINC000491506279 439396725 /nfs/dbraw/zinc/39/67/25/439396725.db2.gz ORCXJBSJSFSJQD-UHFFFAOYSA-N 1 1 336.342 0.589 20 30 ECEDMO CC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H](C)CS(C)(=O)=O ZINC000599293367 439421801 /nfs/dbraw/zinc/42/18/01/439421801.db2.gz WCCSDDGNACAPGG-KGLIPLIRSA-N 1 1 332.466 0.813 20 30 ECEDMO CC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H](C)CS(C)(=O)=O ZINC000599293367 439421806 /nfs/dbraw/zinc/42/18/06/439421806.db2.gz WCCSDDGNACAPGG-KGLIPLIRSA-N 1 1 332.466 0.813 20 30 ECEDMO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599397140 439455476 /nfs/dbraw/zinc/45/54/76/439455476.db2.gz UVTHMSBWXKMNGR-HZPDHXFCSA-N 1 1 325.453 0.710 20 30 ECEDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599397142 439455631 /nfs/dbraw/zinc/45/56/31/439455631.db2.gz UVTHMSBWXKMNGR-JKSUJKDBSA-N 1 1 325.453 0.710 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599329866 439435130 /nfs/dbraw/zinc/43/51/30/439435130.db2.gz FUOFYQOCOBEILE-KBPBESRZSA-N 1 1 345.465 0.071 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000491742301 439439216 /nfs/dbraw/zinc/43/92/16/439439216.db2.gz LNVCDPIDJBMHQY-UHFFFAOYSA-N 1 1 342.443 0.407 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000491760473 439443672 /nfs/dbraw/zinc/44/36/72/439443672.db2.gz QKGOQUYYPXZMKC-XJKSGUPXSA-N 1 1 332.448 0.640 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000491794337 439451690 /nfs/dbraw/zinc/45/16/90/439451690.db2.gz QEICBNABQAGVIN-CVEARBPZSA-N 1 1 347.459 0.821 20 30 ECEDMO CCn1nccc1C[N@H+](CCO)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599390697 439453341 /nfs/dbraw/zinc/45/33/41/439453341.db2.gz OPPPXIHIDKGEPY-MRXNPFEDSA-N 1 1 336.436 0.769 20 30 ECEDMO CCn1nccc1C[N@@H+](CCO)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599390697 439453348 /nfs/dbraw/zinc/45/33/48/439453348.db2.gz OPPPXIHIDKGEPY-MRXNPFEDSA-N 1 1 336.436 0.769 20 30 ECEDMO COC(=O)[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000599438113 439467451 /nfs/dbraw/zinc/46/74/51/439467451.db2.gz MCLUWEKLKFHVIX-HOTGVXAUSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@H]1CN(C)CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599438113 439467455 /nfs/dbraw/zinc/46/74/55/439467455.db2.gz MCLUWEKLKFHVIX-HOTGVXAUSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@H]1CN(C)CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599438113 439467459 /nfs/dbraw/zinc/46/74/59/439467459.db2.gz MCLUWEKLKFHVIX-HOTGVXAUSA-N 1 1 347.415 0.335 20 30 ECEDMO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856745 439478223 /nfs/dbraw/zinc/47/82/23/439478223.db2.gz OENPQLUNMDKBMW-DYVFJYSZSA-N 1 1 337.420 0.525 20 30 ECEDMO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856745 439478227 /nfs/dbraw/zinc/47/82/27/439478227.db2.gz OENPQLUNMDKBMW-DYVFJYSZSA-N 1 1 337.420 0.525 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[NH+]2CCN(c3nccnn3)CC2)c1 ZINC000599509225 439494564 /nfs/dbraw/zinc/49/45/64/439494564.db2.gz ALKJGMCARFMRDW-UHFFFAOYSA-N 1 1 337.387 0.894 20 30 ECEDMO C=CCN(C(=O)Cn1c[nH+]c2c1CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000538687807 439545988 /nfs/dbraw/zinc/54/59/88/439545988.db2.gz CASWGWAOJNCNRK-ZDUSSCGKSA-N 1 1 337.445 0.964 20 30 ECEDMO CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609423393 439569017 /nfs/dbraw/zinc/56/90/17/439569017.db2.gz DSRNDJBLNYCPNC-NVXWUHKLSA-N 1 1 331.416 0.949 20 30 ECEDMO CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609423393 439569022 /nfs/dbraw/zinc/56/90/22/439569022.db2.gz DSRNDJBLNYCPNC-NVXWUHKLSA-N 1 1 331.416 0.949 20 30 ECEDMO N#CCNC(=O)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000599933082 439576937 /nfs/dbraw/zinc/57/69/37/439576937.db2.gz GVDBFSAQZAPLGS-DLBZAZTESA-N 1 1 340.427 0.901 20 30 ECEDMO N#Cc1sccc1N1CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000594735281 439599314 /nfs/dbraw/zinc/59/93/14/439599314.db2.gz KEBFJDUZSCJUSG-AWEZNQCLSA-N 1 1 347.488 0.939 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000584599198 439603245 /nfs/dbraw/zinc/60/32/45/439603245.db2.gz SCOOENVTLQXQAW-IAGOWNOFSA-N 1 1 333.432 0.539 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1)C1CC1 ZINC000585718668 439645423 /nfs/dbraw/zinc/64/54/23/439645423.db2.gz RRNNSXVNAAIILQ-WMZOPIPTSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](N2CCOCC2)CC1)C1CC1 ZINC000585718668 439645426 /nfs/dbraw/zinc/64/54/26/439645426.db2.gz RRNNSXVNAAIILQ-WMZOPIPTSA-N 1 1 334.464 0.982 20 30 ECEDMO CCN(C(=O)C(=O)Nc1cc(C)nn1CCC#N)[C@H]1CC[N@@H+](C)C1 ZINC000595102461 439653502 /nfs/dbraw/zinc/65/35/02/439653502.db2.gz IHROHKYMWIIIPI-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO CCN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@@H]1CC[N@@H+](CC)C1 ZINC000595129045 439658821 /nfs/dbraw/zinc/65/88/21/439658821.db2.gz AUTZURUIWXFTAN-CYBMUJFWSA-N 1 1 332.408 0.678 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000612534776 439724159 /nfs/dbraw/zinc/72/41/59/439724159.db2.gz JLJJKFMCNMAREQ-SJORKVTESA-N 1 1 331.416 0.509 20 30 ECEDMO C[C@@]1(C#N)CCCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000612121852 439677030 /nfs/dbraw/zinc/67/70/30/439677030.db2.gz QPLYCHBDEXUCGB-PBHICJAKSA-N 1 1 335.452 0.909 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@](C)(C#N)C2)CC1 ZINC000612131351 439677487 /nfs/dbraw/zinc/67/74/87/439677487.db2.gz YXSMOFBBSOZOHR-KRWDZBQOSA-N 1 1 335.452 0.874 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000613034722 439749059 /nfs/dbraw/zinc/74/90/59/439749059.db2.gz JUGWNQXXBAWSMU-FUHWJXTLSA-N 1 1 328.416 0.710 20 30 ECEDMO Cn1cc([C@H]([NH2+]CC(=O)NC2(C#N)CCC2)C2(CO)CCC2)cn1 ZINC000595492982 439734055 /nfs/dbraw/zinc/73/40/55/439734055.db2.gz IUJBWWMMBRFRIQ-HNNXBMFYSA-N 1 1 331.420 0.776 20 30 ECEDMO C=C[C@@H](O)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000614721097 439784971 /nfs/dbraw/zinc/78/49/71/439784971.db2.gz GXDLJICXMMXNJI-ZWKOTPCHSA-N 1 1 329.444 0.952 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000615793860 439806673 /nfs/dbraw/zinc/80/66/73/439806673.db2.gz RJKRDOZNTZWUBS-DZGCQCFKSA-N 1 1 347.463 0.351 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000615793862 439806860 /nfs/dbraw/zinc/80/68/60/439806860.db2.gz RJKRDOZNTZWUBS-UKRRQHHQSA-N 1 1 347.463 0.351 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641668527 439886649 /nfs/dbraw/zinc/88/66/49/439886649.db2.gz BHTLCKUKRNOICZ-RDJZCZTQSA-N 1 1 325.453 0.226 20 30 ECEDMO C=CCOCCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000666522472 440652916 /nfs/dbraw/zinc/65/29/16/440652916.db2.gz YWEBTHIUBLFTIG-UHFFFAOYSA-N 1 1 326.441 0.385 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)C1 ZINC001041736497 782085993 /nfs/dbraw/zinc/08/59/93/782085993.db2.gz SFOUNJHPSSYLIM-LMMKCTJWSA-N 1 1 342.443 0.846 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001077990877 782089509 /nfs/dbraw/zinc/08/95/09/782089509.db2.gz BTDNKNBQUFSNEF-QDIHITRGSA-N 1 1 335.448 0.066 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001077990877 782089518 /nfs/dbraw/zinc/08/95/18/782089518.db2.gz BTDNKNBQUFSNEF-QDIHITRGSA-N 1 1 335.448 0.066 20 30 ECEDMO N#Cc1cccc(NC(=O)C2CC[NH+]([C@H]3CC(=O)NC3=O)CC2)c1 ZINC000574336291 322777485 /nfs/dbraw/zinc/77/74/85/322777485.db2.gz NFOAIYLFAALKCT-AWEZNQCLSA-N 1 1 326.356 0.624 20 30 ECEDMO C=CC[NH+](CC=C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000052868595 545669326 /nfs/dbraw/zinc/66/93/26/545669326.db2.gz HQKDYXAUKJRISO-UHFFFAOYSA-N 1 1 336.480 0.719 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)CC1 ZINC000172352707 545866864 /nfs/dbraw/zinc/86/68/64/545866864.db2.gz PIMGJEUAOLIXRJ-STQMWFEESA-N 1 1 329.466 0.854 20 30 ECEDMO CN1C[C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000328702273 546004544 /nfs/dbraw/zinc/00/45/44/546004544.db2.gz NSQDUBCSNVJWEH-MRXNPFEDSA-N 1 1 330.432 0.991 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC(=O)N2CCCC2)C1 ZINC000328867727 546007955 /nfs/dbraw/zinc/00/79/55/546007955.db2.gz OKPQWYSGLKPJOM-AWEZNQCLSA-N 1 1 326.441 0.469 20 30 ECEDMO CN1CCN(C)[C@H](CNC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000329367328 546022041 /nfs/dbraw/zinc/02/20/41/546022041.db2.gz KVMNPLVZNXNVKH-OAHLLOKOSA-N 1 1 329.408 0.407 20 30 ECEDMO N#C[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000332967957 546056458 /nfs/dbraw/zinc/05/64/58/546056458.db2.gz YCAJLNWZLHFSDH-XHSDSOJGSA-N 1 1 348.447 0.508 20 30 ECEDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cccc(CC#N)c1 ZINC000619486845 546333062 /nfs/dbraw/zinc/33/30/62/546333062.db2.gz BUVNLGGOQSYFJR-UHFFFAOYSA-N 1 1 325.434 0.999 20 30 ECEDMO C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000624989787 547002318 /nfs/dbraw/zinc/00/23/18/547002318.db2.gz ATNWTBILJMMOGU-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000624989787 547002321 /nfs/dbraw/zinc/00/23/21/547002321.db2.gz ATNWTBILJMMOGU-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO CC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCOCCO ZINC000625393013 547087578 /nfs/dbraw/zinc/08/75/78/547087578.db2.gz BSZRQNJXMHFAHH-UHFFFAOYSA-N 1 1 330.384 0.617 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000625490839 547119380 /nfs/dbraw/zinc/11/93/80/547119380.db2.gz ZDHPBZWABXXQRN-UHFFFAOYSA-N 1 1 338.496 0.801 20 30 ECEDMO C=C[C@](C)(O)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000668451189 547659742 /nfs/dbraw/zinc/65/97/42/547659742.db2.gz NERGKJOSNLZNGO-APWZRJJASA-N 1 1 345.443 0.937 20 30 ECEDMO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000669067730 547822812 /nfs/dbraw/zinc/82/28/12/547822812.db2.gz SUUJHVAGOWCLSJ-AWEZNQCLSA-N 1 1 348.451 0.513 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)CCCOC)C1 ZINC000669104860 547828390 /nfs/dbraw/zinc/82/83/90/547828390.db2.gz PNQSVQUOJXQTFI-OAHLLOKOSA-N 1 1 325.453 0.886 20 30 ECEDMO C=C(C)COCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675556880 548744306 /nfs/dbraw/zinc/74/43/06/548744306.db2.gz RQSCVCSHDDKWJJ-MRXNPFEDSA-N 1 1 340.468 0.285 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)nc1 ZINC001078030382 782174928 /nfs/dbraw/zinc/17/49/28/782174928.db2.gz WQVLGXRGURWOER-KBAYOESNSA-N 1 1 343.427 0.655 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000757685238 579463201 /nfs/dbraw/zinc/46/32/01/579463201.db2.gz JWGWUPQMTAWHEG-GPPDRHIASA-N 1 1 347.419 0.295 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCC1 ZINC000759020036 579485181 /nfs/dbraw/zinc/48/51/81/579485181.db2.gz RUESILKKGWRKHC-KBPBESRZSA-N 1 1 327.450 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000730104863 578303404 /nfs/dbraw/zinc/30/34/04/578303404.db2.gz VPIPMRCOQBZVDO-CVEARBPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000730104863 578303405 /nfs/dbraw/zinc/30/34/05/578303405.db2.gz VPIPMRCOQBZVDO-CVEARBPZSA-N 1 1 333.432 0.181 20 30 ECEDMO O=c1nc(N=NC2CC[NH+](Cc3ccccn3)CC2)nc2[nH][nH]cc1-2 ZINC000731154246 578310862 /nfs/dbraw/zinc/31/08/62/578310862.db2.gz BKDZDHJOHUFZLT-UHFFFAOYSA-N 1 1 338.375 0.891 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccc(OCC#N)cc1 ZINC000732247747 578321705 /nfs/dbraw/zinc/32/17/05/578321705.db2.gz QOGBKZPFJJEKRR-HNNXBMFYSA-N 1 1 331.420 0.634 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)CCCSC)c1=O ZINC000799159385 578660089 /nfs/dbraw/zinc/66/00/89/578660089.db2.gz GQRBXCJJHPZXHI-UHFFFAOYSA-N 1 1 340.449 0.186 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)CCCSC)c1=O ZINC000799159385 578660090 /nfs/dbraw/zinc/66/00/90/578660090.db2.gz GQRBXCJJHPZXHI-UHFFFAOYSA-N 1 1 340.449 0.186 20 30 ECEDMO C#CCOCCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000784321769 578750604 /nfs/dbraw/zinc/75/06/04/578750604.db2.gz JEICPFNLHHGEAB-INIZCTEOSA-N 1 1 345.447 0.541 20 30 ECEDMO C=CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000785400454 578767783 /nfs/dbraw/zinc/76/77/83/578767783.db2.gz TXPZOYDNGWTWQB-OAHLLOKOSA-N 1 1 325.453 0.882 20 30 ECEDMO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000785638558 578771632 /nfs/dbraw/zinc/77/16/32/578771632.db2.gz AWQMHLRJFAYCRJ-ZNMIVQPWSA-N 1 1 349.431 0.000 20 30 ECEDMO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000785638553 578771670 /nfs/dbraw/zinc/77/16/70/578771670.db2.gz AWQMHLRJFAYCRJ-RRFJBIMHSA-N 1 1 349.431 0.000 20 30 ECEDMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)C[C@H]2C1 ZINC000787597974 578810416 /nfs/dbraw/zinc/81/04/16/578810416.db2.gz HTXKZXPHQCTQGC-TXEJJXNPSA-N 1 1 346.362 0.687 20 30 ECEDMO CC(C)(C#N)CS(=O)(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000790020700 578865906 /nfs/dbraw/zinc/86/59/06/578865906.db2.gz CSBTZJMKXRGMGU-UHFFFAOYSA-N 1 1 329.466 0.910 20 30 ECEDMO NS(=O)(=O)c1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000765542653 579068983 /nfs/dbraw/zinc/06/89/83/579068983.db2.gz JAJKXNKJOSJTNZ-LBPRGKRZSA-N 1 1 339.377 0.878 20 30 ECEDMO O=C1N=C(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)NC1=O ZINC000765594889 579069821 /nfs/dbraw/zinc/06/98/21/579069821.db2.gz YFUSEWAXQKJCIU-OKILXGFUSA-N 1 1 325.372 0.771 20 30 ECEDMO C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)[C@@H]1CCCO1 ZINC000772878840 579216140 /nfs/dbraw/zinc/21/61/40/579216140.db2.gz JSANCXAWHCQEEJ-QZWWFDLISA-N 1 1 347.459 0.616 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@H]1CCCO1 ZINC000775800013 579271560 /nfs/dbraw/zinc/27/15/60/579271560.db2.gz QFGXXGCLIGUBEX-DZGCQCFKSA-N 1 1 344.350 0.510 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCO1 ZINC000775800958 579271681 /nfs/dbraw/zinc/27/16/81/579271681.db2.gz RGFNSXFCOAPLLB-ILXRZTDVSA-N 1 1 330.384 0.713 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)N(CCC(N)=O)c1ccc(F)cc1)[C@H]1CCCO1 ZINC000775801831 579271764 /nfs/dbraw/zinc/27/17/64/579271764.db2.gz WQHITRGZZNNVOR-HZPDHXFCSA-N 1 1 347.390 0.805 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[C@@H]1CCCO1 ZINC000776227565 579278122 /nfs/dbraw/zinc/27/81/22/579278122.db2.gz ZEOWRQWONNZUKI-BZSNNMDCSA-N 1 1 348.491 0.979 20 30 ECEDMO C[C@H](CNC(=O)NCCNc1ncccc1C#N)C[NH+]1CCOCC1 ZINC000738991428 579660372 /nfs/dbraw/zinc/66/03/72/579660372.db2.gz VMIIGXHHWNMHFE-CQSZACIVSA-N 1 1 346.435 0.633 20 30 ECEDMO CC[N@H+]1CCC(=NNC(=S)NCCCN2CCOCC2)[C@@H](C)C1 ZINC000741458372 579774679 /nfs/dbraw/zinc/77/46/79/579774679.db2.gz ZMESJXNVSQGUJO-AWEZNQCLSA-N 1 1 341.525 0.891 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000744366537 579808864 /nfs/dbraw/zinc/80/88/64/579808864.db2.gz SUPQKDQCXBATFI-UHFFFAOYSA-N 1 1 338.433 0.046 20 30 ECEDMO O=C(CCNC(=O)C1N=CC=CC1=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000746238664 579834014 /nfs/dbraw/zinc/83/40/14/579834014.db2.gz RHGUZQJFUJXCQC-CMTMBAJVSA-N 1 1 332.404 0.503 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000836488151 588931471 /nfs/dbraw/zinc/93/14/71/588931471.db2.gz MJPHTHFMVMCIPT-UHFFFAOYSA-N 1 1 335.452 0.485 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000836488679 588931526 /nfs/dbraw/zinc/93/15/26/588931526.db2.gz LONLHQIWVDLQQC-AWEZNQCLSA-N 1 1 339.436 0.694 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](O)COc1cccc(F)c1 ZINC000836489420 588931532 /nfs/dbraw/zinc/93/15/32/588931532.db2.gz ZTEXZMRKZNHYKS-HNNXBMFYSA-N 1 1 337.395 0.820 20 30 ECEDMO CCOC(=O)CON=C(C(=O)NC(C)(C)C[NH+](C)C)c1ccn[nH]1 ZINC000837239766 588946326 /nfs/dbraw/zinc/94/63/26/588946326.db2.gz YCOAOTPIDSIRGP-UHFFFAOYSA-N 1 1 339.396 0.150 20 30 ECEDMO C#CC[C@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C(=O)OC ZINC000837943415 588966597 /nfs/dbraw/zinc/96/65/97/588966597.db2.gz WHPWUMXAYAASTA-KRWDZBQOSA-N 1 1 343.427 0.729 20 30 ECEDMO COC(=O)[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[N@@H+](C)C1 ZINC000840959560 588975733 /nfs/dbraw/zinc/97/57/33/588975733.db2.gz YTBIXLZSJCGUIV-CQSZACIVSA-N 1 1 327.388 0.743 20 30 ECEDMO O=C1N=C(N=NC2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)NC1=O ZINC000841633751 588996528 /nfs/dbraw/zinc/99/65/28/588996528.db2.gz WIUOTUPUYZYTJW-CQSZACIVSA-N 1 1 325.372 0.944 20 30 ECEDMO C#C[C@H](NC(=O)NC1CCC([NH+]2CCNCC2)CC1)[C@H]1CCCO1 ZINC000841878722 589004309 /nfs/dbraw/zinc/00/43/09/589004309.db2.gz HLRGHJLOQCYYRB-SJJHQCBESA-N 1 1 334.464 0.683 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(CC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000842234777 589023679 /nfs/dbraw/zinc/02/36/79/589023679.db2.gz CEYLRUJTBSXGCR-INIZCTEOSA-N 1 1 326.400 0.752 20 30 ECEDMO C#CC[C@H]1NC(=O)N([C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1=O ZINC000842245463 589024144 /nfs/dbraw/zinc/02/41/44/589024144.db2.gz WRFAIMZOUXVZJM-HUUCEWRRSA-N 1 1 341.415 0.536 20 30 ECEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000895314712 586175243 /nfs/dbraw/zinc/17/52/43/586175243.db2.gz PJZAEVGZGZWSBC-PHIMTYICSA-N 1 1 335.791 0.371 20 30 ECEDMO C#CCNc1nc(N[C@@H]2COC[C@@H]2C)[nH+]c(N[C@@H]2COC[C@@H]2C)n1 ZINC000895909086 586212207 /nfs/dbraw/zinc/21/22/07/586212207.db2.gz LNZMXAZZODTGQO-WUHRBBMRSA-N 1 1 332.408 0.810 20 30 ECEDMO C#CCNc1nc(N[C@@H]2COC[C@@H]2C)nc(N[C@@H]2COC[C@@H]2C)[nH+]1 ZINC000895909086 586212209 /nfs/dbraw/zinc/21/22/09/586212209.db2.gz LNZMXAZZODTGQO-WUHRBBMRSA-N 1 1 332.408 0.810 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896577336 586259845 /nfs/dbraw/zinc/25/98/45/586259845.db2.gz NMAJKIDJZADVQA-UKRRQHHQSA-N 1 1 346.431 0.696 20 30 ECEDMO CN(C(=O)NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000892943776 586302524 /nfs/dbraw/zinc/30/25/24/586302524.db2.gz ZZIYIQSMPUSNBH-XROPSADXSA-N 1 1 335.408 0.248 20 30 ECEDMO C#C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893054463 586308400 /nfs/dbraw/zinc/30/84/00/586308400.db2.gz XUHWWUYIUQZAES-DLBZAZTESA-N 1 1 334.464 0.590 20 30 ECEDMO N#Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)nc1 ZINC000894320046 586386699 /nfs/dbraw/zinc/38/66/99/586386699.db2.gz CBUBOGWAWMLACL-HOTGVXAUSA-N 1 1 329.404 0.694 20 30 ECEDMO C#CCSCC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000899231126 586478055 /nfs/dbraw/zinc/47/80/55/586478055.db2.gz SOKUNWXRQYDFMV-HNNXBMFYSA-N 1 1 325.478 0.266 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000900318530 586536406 /nfs/dbraw/zinc/53/64/06/586536406.db2.gz YFBPGSNWDJJEFV-WMLDXEAASA-N 1 1 329.404 0.057 20 30 ECEDMO C#CCNC(=O)c1ccccc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900402714 586630048 /nfs/dbraw/zinc/63/00/48/586630048.db2.gz QIQBSCSZPOYENN-GOSISDBHSA-N 1 1 329.400 0.835 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900585320 586647774 /nfs/dbraw/zinc/64/77/74/586647774.db2.gz MOPPGZUEJRIAIO-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1)[C@H]1CCCO1 ZINC000838557421 586814268 /nfs/dbraw/zinc/81/42/68/586814268.db2.gz BEWANJZVJYGPDO-HZPDHXFCSA-N 1 1 336.480 0.883 20 30 ECEDMO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000839630891 586884866 /nfs/dbraw/zinc/88/48/66/586884866.db2.gz QPRURCGBJPNLOC-HOTGVXAUSA-N 1 1 345.399 0.809 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H]2CC(C(=O)OC)=C(C)O2)CC1 ZINC000778209659 586922616 /nfs/dbraw/zinc/92/26/16/586922616.db2.gz DJTVLUXSKYSGNE-AWEZNQCLSA-N 1 1 337.420 0.142 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cccn2CCN2CCOCC2)CC1 ZINC000906483095 586952086 /nfs/dbraw/zinc/95/20/86/586952086.db2.gz BIYCSHDXRGTPJH-UHFFFAOYSA-N 1 1 344.459 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000839837788 586957650 /nfs/dbraw/zinc/95/76/50/586957650.db2.gz WTBMSZFYRAFLPT-QFBILLFUSA-N 1 1 325.412 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000839837788 586957652 /nfs/dbraw/zinc/95/76/52/586957652.db2.gz WTBMSZFYRAFLPT-QFBILLFUSA-N 1 1 325.412 0.740 20 30 ECEDMO C[C@@H](C#N)OCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000801915379 587005777 /nfs/dbraw/zinc/00/57/77/587005777.db2.gz RBMHBMHUZSTHOC-ZDUSSCGKSA-N 1 1 338.433 0.385 20 30 ECEDMO C#CCC(CC#C)C(=O)OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000803698426 587067895 /nfs/dbraw/zinc/06/78/95/587067895.db2.gz QITBAZQKASQJNA-KRWDZBQOSA-N 1 1 348.443 0.665 20 30 ECEDMO CC[N@@H+](CCNC(=O)C(=O)NCc1cc(C#N)ccc1F)C1CC1 ZINC000804225006 587081944 /nfs/dbraw/zinc/08/19/44/587081944.db2.gz RTRZJUOPKLTPET-UHFFFAOYSA-N 1 1 332.379 0.914 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC)[C@H]1CCCO1 ZINC000806252212 587092075 /nfs/dbraw/zinc/09/20/75/587092075.db2.gz DGNODNORHQXWKB-HRCADAONSA-N 1 1 335.448 0.664 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)[C@@H]1CCCO1 ZINC000809310043 587174581 /nfs/dbraw/zinc/17/45/81/587174581.db2.gz RYAIEEJTIUKWLQ-QXSJWSMHSA-N 1 1 335.448 0.472 20 30 ECEDMO C=C[C@@H](O)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000816888712 587327098 /nfs/dbraw/zinc/32/70/98/587327098.db2.gz VQMWKQWQWVSJDE-CYBMUJFWSA-N 1 1 327.425 0.592 20 30 ECEDMO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@H](C)C#N)CC2)cc1 ZINC000819046934 587465756 /nfs/dbraw/zinc/46/57/56/587465756.db2.gz FXSRZYLFZOXSRK-NVXWUHKLSA-N 1 1 332.448 0.927 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](C#N)CCC#N ZINC000825933366 587974309 /nfs/dbraw/zinc/97/43/09/587974309.db2.gz CKQRIWHDNXNRGF-SNVBAGLBSA-N 1 1 328.384 0.480 20 30 ECEDMO O=C(C#Cc1cccs1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000825981170 587977921 /nfs/dbraw/zinc/97/79/21/587977921.db2.gz QCYGJVIVTBELKQ-OAHLLOKOSA-N 1 1 333.457 0.622 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000827967526 588149464 /nfs/dbraw/zinc/14/94/64/588149464.db2.gz RHPVLJZSWCCGNB-CYBMUJFWSA-N 1 1 332.408 0.929 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000827967526 588149466 /nfs/dbraw/zinc/14/94/66/588149466.db2.gz RHPVLJZSWCCGNB-CYBMUJFWSA-N 1 1 332.408 0.929 20 30 ECEDMO C[C@@H](C#N)OCC[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000830773966 588385099 /nfs/dbraw/zinc/38/50/99/588385099.db2.gz PPDBOPCGKBTZMV-ZDUSSCGKSA-N 1 1 340.449 0.631 20 30 ECEDMO C[C@@H](C#N)OCC[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000832555528 588489047 /nfs/dbraw/zinc/48/90/47/588489047.db2.gz UYCRLMQKIHCXCP-NSHDSACASA-N 1 1 345.396 0.712 20 30 ECEDMO CN(C)S(=O)(=O)CCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370755 589109209 /nfs/dbraw/zinc/10/92/09/589109209.db2.gz TYMKYQGOLMZIIZ-HNNXBMFYSA-N 1 1 325.434 0.805 20 30 ECEDMO CC(C)C[N@@H+](C)CCCNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000846291950 589195347 /nfs/dbraw/zinc/19/53/47/589195347.db2.gz WEYLQUUJSUQHBT-WUKNDPDISA-N 1 1 336.436 0.997 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CCCO1 ZINC000848937534 589317110 /nfs/dbraw/zinc/31/71/10/589317110.db2.gz PWUXIOQDFBWDSI-ZJIFWQFVSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CCOCC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000851842504 589428359 /nfs/dbraw/zinc/42/83/59/589428359.db2.gz XSLONSPTIADWJV-UHFFFAOYSA-N 1 1 326.404 0.430 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC(C2N=NC(=O)N2CC)CC1 ZINC000854094476 589570928 /nfs/dbraw/zinc/57/09/28/589570928.db2.gz RQGLUEYHHLTXJZ-UHFFFAOYSA-N 1 1 348.451 0.848 20 30 ECEDMO C#CCCN(CCOC)C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000856388167 589662647 /nfs/dbraw/zinc/66/26/47/589662647.db2.gz MKCWYKRPDZZNQX-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000856909071 589679193 /nfs/dbraw/zinc/67/91/93/589679193.db2.gz YCFIIORVTQYTHU-MRXNPFEDSA-N 1 1 349.456 0.910 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000856909071 589679194 /nfs/dbraw/zinc/67/91/94/589679194.db2.gz YCFIIORVTQYTHU-MRXNPFEDSA-N 1 1 349.456 0.910 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000858278338 589736756 /nfs/dbraw/zinc/73/67/56/589736756.db2.gz VTUBCOLXCXHHBA-IAGOWNOFSA-N 1 1 338.496 0.988 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000866675581 589756966 /nfs/dbraw/zinc/75/69/66/589756966.db2.gz OMYMACRLKCNXQY-CABCVRRESA-N 1 1 335.429 0.894 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000866716377 589763096 /nfs/dbraw/zinc/76/30/96/589763096.db2.gz NAWRDOMSJZQKCS-YOEHRIQHSA-N 1 1 334.420 0.072 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1 ZINC000866828590 589783895 /nfs/dbraw/zinc/78/38/95/589783895.db2.gz BUYLPWYOSCMVQJ-UHFFFAOYSA-N 1 1 327.381 0.386 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1 ZINC000866828590 589783897 /nfs/dbraw/zinc/78/38/97/589783897.db2.gz BUYLPWYOSCMVQJ-UHFFFAOYSA-N 1 1 327.381 0.386 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)CC1 ZINC000859520873 589846982 /nfs/dbraw/zinc/84/69/82/589846982.db2.gz ZBZWDGXFVLRXRL-QGZVFWFLSA-N 1 1 349.475 0.017 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCS(=O)(=O)C1 ZINC000867948683 589864435 /nfs/dbraw/zinc/86/44/35/589864435.db2.gz BQPALMCGWSIVPS-GDBMZVCRSA-N 1 1 333.413 0.438 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(CCc2cnccn2)CC1 ZINC000868652311 589919343 /nfs/dbraw/zinc/91/93/43/589919343.db2.gz CHOTVUJHLMABLD-UHFFFAOYSA-N 1 1 344.463 0.301 20 30 ECEDMO C#CC[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000862566862 589943370 /nfs/dbraw/zinc/94/33/70/589943370.db2.gz VHZITXITBLULLE-IRXDYDNUSA-N 1 1 347.459 0.572 20 30 ECEDMO COc1cc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1C#N ZINC000872255349 590108613 /nfs/dbraw/zinc/10/86/13/590108613.db2.gz CKFAEPGESLZTCS-INMHGKMJSA-N 1 1 342.399 0.934 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@]1(C#N)CCCOC1 ZINC000865106285 590125556 /nfs/dbraw/zinc/12/55/56/590125556.db2.gz GKXKJRBUGLHQEH-WMLDXEAASA-N 1 1 336.436 0.366 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(F)c1 ZINC000872617659 590134048 /nfs/dbraw/zinc/13/40/48/590134048.db2.gz OKCDMNXDZVVHFP-QWHCGFSZSA-N 1 1 339.392 0.527 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2cc(CC(C)C)ncn2)CC1 ZINC000865536993 590149073 /nfs/dbraw/zinc/14/90/73/590149073.db2.gz SYQBUMCYRCPYCG-UHFFFAOYSA-N 1 1 329.448 0.937 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(CC(C)C)ncn2)CC1 ZINC000865536993 590149075 /nfs/dbraw/zinc/14/90/75/590149075.db2.gz SYQBUMCYRCPYCG-UHFFFAOYSA-N 1 1 329.448 0.937 20 30 ECEDMO CN(C(=O)[C@]1(C#N)CCCOC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000865728820 590155949 /nfs/dbraw/zinc/15/59/49/590155949.db2.gz YZADOQQPOXNQPT-WMZOPIPTSA-N 1 1 334.464 0.934 20 30 ECEDMO CN(C(=O)[C@]1(C#N)CCCOC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000865728820 590155951 /nfs/dbraw/zinc/15/59/51/590155951.db2.gz YZADOQQPOXNQPT-WMZOPIPTSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000875600222 590313036 /nfs/dbraw/zinc/31/30/36/590313036.db2.gz WUUKRJGVJBNMBN-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879482164 590313996 /nfs/dbraw/zinc/31/39/96/590313996.db2.gz OGMJDWCTUCGOIC-GUYCJALGSA-N 1 1 335.404 0.969 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879482164 590313999 /nfs/dbraw/zinc/31/39/99/590313999.db2.gz OGMJDWCTUCGOIC-GUYCJALGSA-N 1 1 335.404 0.969 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000875604068 590314309 /nfs/dbraw/zinc/31/43/09/590314309.db2.gz INESSAVPOIREMQ-BFYDXBDKSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000875925367 590347209 /nfs/dbraw/zinc/34/72/09/590347209.db2.gz QFUDUYOOKYHECV-DOTOQJQBSA-N 1 1 336.480 0.835 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000875925367 590347210 /nfs/dbraw/zinc/34/72/10/590347210.db2.gz QFUDUYOOKYHECV-DOTOQJQBSA-N 1 1 336.480 0.835 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876634398 590393733 /nfs/dbraw/zinc/39/37/33/590393733.db2.gz QLKTUABRJOVKHU-UHFFFAOYSA-N 1 1 335.429 0.295 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000880477756 590395004 /nfs/dbraw/zinc/39/50/04/590395004.db2.gz NBHZFCXFFNZOQP-HNNXBMFYSA-N 1 1 344.411 0.793 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000876660655 590395966 /nfs/dbraw/zinc/39/59/66/590395966.db2.gz XPDMAFIZRCAUNK-DZGCQCFKSA-N 1 1 333.413 0.438 20 30 ECEDMO C[C@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCS1(=O)=O ZINC000876669866 590396740 /nfs/dbraw/zinc/39/67/40/590396740.db2.gz AEHINMUJEUMHAS-XHDPSFHLSA-N 1 1 333.413 0.391 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000878049753 590494661 /nfs/dbraw/zinc/49/46/61/590494661.db2.gz MNSJXBLXPFUCPD-MRXNPFEDSA-N 1 1 335.448 0.082 20 30 ECEDMO N#CC1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000883912726 590683043 /nfs/dbraw/zinc/68/30/43/590683043.db2.gz ZUSCCMIDEBURBD-KRWDZBQOSA-N 1 1 349.479 0.728 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2nnc3n2CCCCC3)C1 ZINC000884043543 590714550 /nfs/dbraw/zinc/71/45/50/590714550.db2.gz XXWPXYHPKCMMEY-AWEZNQCLSA-N 1 1 330.436 0.901 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2nnc3n2CCCCC3)C1 ZINC000884043543 590714553 /nfs/dbraw/zinc/71/45/53/590714553.db2.gz XXWPXYHPKCMMEY-AWEZNQCLSA-N 1 1 330.436 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCC2(C(=O)OC)CCOCC2)C1 ZINC000884261445 590791122 /nfs/dbraw/zinc/79/11/22/590791122.db2.gz MCCHATAPIHOOLC-AWEZNQCLSA-N 1 1 337.420 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2(C(=O)OC)CCOCC2)C1 ZINC000884261445 590791124 /nfs/dbraw/zinc/79/11/24/590791124.db2.gz MCCHATAPIHOOLC-AWEZNQCLSA-N 1 1 337.420 0.353 20 30 ECEDMO CC(C)NS(=O)(=O)N1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886190479 590807758 /nfs/dbraw/zinc/80/77/58/590807758.db2.gz RWJKFSRFCPEANK-AWEZNQCLSA-N 1 1 344.481 0.292 20 30 ECEDMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886299486 590828221 /nfs/dbraw/zinc/82/82/21/590828221.db2.gz ZOUNCZMUMRLUBI-HNNXBMFYSA-N 1 1 336.436 0.102 20 30 ECEDMO C=CCC1(O)CC[NH+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000886762335 590882383 /nfs/dbraw/zinc/88/23/83/590882383.db2.gz XJLLZMGVBFCJTJ-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CC[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890129374 591134117 /nfs/dbraw/zinc/13/41/17/591134117.db2.gz NJLFTDIJGACHJL-ZWKOTPCHSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000890364250 591151728 /nfs/dbraw/zinc/15/17/28/591151728.db2.gz YGSSHWKDYHBLKV-BBWFWOEESA-N 1 1 336.480 0.835 20 30 ECEDMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)CC[C@@H]2C1)NC1CC1 ZINC000946589312 611356600 /nfs/dbraw/zinc/35/66/00/611356600.db2.gz RNAKLYRAOSDLEU-IYBDPMFKSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC1(O)CN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000929941923 611370288 /nfs/dbraw/zinc/37/02/88/611370288.db2.gz JJWSNIQUEVKFHX-HNNXBMFYSA-N 1 1 342.399 0.348 20 30 ECEDMO C#CC1(O)CN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000929941923 611370293 /nfs/dbraw/zinc/37/02/93/611370293.db2.gz JJWSNIQUEVKFHX-HNNXBMFYSA-N 1 1 342.399 0.348 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)N(C)C)CC[C@@H]2C1 ZINC000946623954 611370738 /nfs/dbraw/zinc/37/07/38/611370738.db2.gz WCGHWCPVEFUFPD-KSZLIROESA-N 1 1 343.475 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cccnc2-n2cncn2)C1 ZINC000930073231 611387446 /nfs/dbraw/zinc/38/74/46/611387446.db2.gz XKYQZVFOVVWTNN-ZDUSSCGKSA-N 1 1 325.376 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccnc2-n2cncn2)C1 ZINC000930073231 611387450 /nfs/dbraw/zinc/38/74/50/611387450.db2.gz XKYQZVFOVVWTNN-ZDUSSCGKSA-N 1 1 325.376 0.881 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CCOC)n3)CC[C@@H]2C1 ZINC000946669276 611404559 /nfs/dbraw/zinc/40/45/59/611404559.db2.gz LERXNHLWYMHYEU-IYBDPMFKSA-N 1 1 330.432 0.947 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)CC[C@@H]2C1 ZINC000946691157 611415850 /nfs/dbraw/zinc/41/58/50/611415850.db2.gz ZOYOIVGZHCXOLI-IYBDPMFKSA-N 1 1 345.447 0.166 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)[C@@H]3CC[C@H](C(=O)OC)CN3C2=O)C1 ZINC000925327108 611470217 /nfs/dbraw/zinc/47/02/17/611470217.db2.gz UIMQQVDSPSKVDE-IHRRRGAJSA-N 1 1 333.388 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)[C@@H]3CC[C@H](C(=O)OC)CN3C2=O)C1 ZINC000925327108 611470218 /nfs/dbraw/zinc/47/02/18/611470218.db2.gz UIMQQVDSPSKVDE-IHRRRGAJSA-N 1 1 333.388 0.300 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000930959382 611489818 /nfs/dbraw/zinc/48/98/18/611489818.db2.gz WVKSLFBRMSBNFB-CJNGLKHVSA-N 1 1 325.478 0.822 20 30 ECEDMO C#CC1(O)CC[NH+]([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000931146901 611511371 /nfs/dbraw/zinc/51/13/71/611511371.db2.gz MLRFHJFEMMQFRH-LSDHHAIUSA-N 1 1 344.411 0.791 20 30 ECEDMO C#CC1(O)CC[NH+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 ZINC000931146422 611511531 /nfs/dbraw/zinc/51/15/31/611511531.db2.gz MOLXRCJXRRYYIF-CQSZACIVSA-N 1 1 329.400 0.861 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C[C@H]1C ZINC000947394459 611513033 /nfs/dbraw/zinc/51/30/33/611513033.db2.gz CLQQTDJOGSFVSU-CHWSQXEVSA-N 1 1 329.828 0.567 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C[C@H]1C ZINC000947394459 611513036 /nfs/dbraw/zinc/51/30/36/611513036.db2.gz CLQQTDJOGSFVSU-CHWSQXEVSA-N 1 1 329.828 0.567 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000931404999 611537539 /nfs/dbraw/zinc/53/75/39/611537539.db2.gz DSZLOMVWVYQCFL-DOTOQJQBSA-N 1 1 330.432 0.930 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931404999 611537540 /nfs/dbraw/zinc/53/75/40/611537540.db2.gz DSZLOMVWVYQCFL-DOTOQJQBSA-N 1 1 330.432 0.930 20 30 ECEDMO COC1(OC)CCOC[C@@H]1[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000931667561 611564200 /nfs/dbraw/zinc/56/42/00/611564200.db2.gz LTDZGKDVTWKKRX-KCQAQPDRSA-N 1 1 327.425 0.797 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000948412890 611579660 /nfs/dbraw/zinc/57/96/60/611579660.db2.gz CWYJPESNNNRBQA-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948416702 611583139 /nfs/dbraw/zinc/58/31/39/611583139.db2.gz MNUOTTXFZVMNLL-CVEARBPZSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@@H]1C ZINC000947594161 611611268 /nfs/dbraw/zinc/61/12/68/611611268.db2.gz UFBSHQLEIUWKTJ-UONOGXRCSA-N 1 1 327.388 0.098 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C ZINC000947597818 611613239 /nfs/dbraw/zinc/61/32/39/611613239.db2.gz JCFGHNZMUWPWMB-AAEUAGOBSA-N 1 1 342.407 0.300 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947369209 608599787 /nfs/dbraw/zinc/59/97/87/608599787.db2.gz HXDDSBQQWBRRMB-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 ZINC000949340521 608645037 /nfs/dbraw/zinc/64/50/37/608645037.db2.gz RLFQIZALWDPSKM-OAHLLOKOSA-N 1 1 334.416 0.656 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 ZINC000949340521 608645039 /nfs/dbraw/zinc/64/50/39/608645039.db2.gz RLFQIZALWDPSKM-OAHLLOKOSA-N 1 1 334.416 0.656 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC000949389085 608665265 /nfs/dbraw/zinc/66/52/65/608665265.db2.gz RKJYDWIHTYXAER-HOTGVXAUSA-N 1 1 336.432 0.507 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC000949389085 608665268 /nfs/dbraw/zinc/66/52/68/608665268.db2.gz RKJYDWIHTYXAER-HOTGVXAUSA-N 1 1 336.432 0.507 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000948562029 611655451 /nfs/dbraw/zinc/65/54/51/611655451.db2.gz PHQCUQXASLGUTH-LSDHHAIUSA-N 1 1 345.447 0.882 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932690080 611655954 /nfs/dbraw/zinc/65/59/54/611655954.db2.gz GFXSDNPHQYEPGD-KRWDZBQOSA-N 1 1 339.436 0.478 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3ccc(OC)nn32)C[C@@H]1C ZINC000947457603 608748727 /nfs/dbraw/zinc/74/87/27/608748727.db2.gz BKPQFJHPIVHEFF-STQMWFEESA-N 1 1 327.388 0.954 20 30 ECEDMO CC[N@H+](CCC(=O)NC)Cc1nc2ccccc2c(=O)n1CC#N ZINC000933865543 608779255 /nfs/dbraw/zinc/77/92/55/608779255.db2.gz WZNGCNMMBIZECC-UHFFFAOYSA-N 1 1 327.388 0.878 20 30 ECEDMO CC[N@@H+](CCC(=O)NC)Cc1nc2ccccc2c(=O)n1CC#N ZINC000933865543 608779259 /nfs/dbraw/zinc/77/92/59/608779259.db2.gz WZNGCNMMBIZECC-UHFFFAOYSA-N 1 1 327.388 0.878 20 30 ECEDMO N#Cc1cccc(CNC(=O)CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000934257786 608805098 /nfs/dbraw/zinc/80/50/98/608805098.db2.gz NDSWLTDPUVKWOH-ZWKOTPCHSA-N 1 1 342.443 0.705 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1C ZINC000947496833 608813818 /nfs/dbraw/zinc/81/38/18/608813818.db2.gz DLKRQWFIVJVNSZ-QWRGUYRKSA-N 1 1 325.390 0.143 20 30 ECEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928568051 608890575 /nfs/dbraw/zinc/89/05/75/608890575.db2.gz DFFGSFMDYFQOJQ-CQSZACIVSA-N 1 1 326.404 0.971 20 30 ECEDMO C[C@@H](NC(=O)NCC#CCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000923778917 608930818 /nfs/dbraw/zinc/93/08/18/608930818.db2.gz HXPFFUAVYIWLRP-WBVHZDCISA-N 1 1 331.416 0.571 20 30 ECEDMO C[C@@H](NC(=O)NCC#CCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000923778917 608930820 /nfs/dbraw/zinc/93/08/20/608930820.db2.gz HXPFFUAVYIWLRP-WBVHZDCISA-N 1 1 331.416 0.571 20 30 ECEDMO O=C(NCC#CCO)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000923781391 608940410 /nfs/dbraw/zinc/94/04/10/608940410.db2.gz UYJQBJCNQRXYJN-UHFFFAOYSA-N 1 1 346.431 0.311 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cnnn1C ZINC000947217687 608965613 /nfs/dbraw/zinc/96/56/13/608965613.db2.gz PTOSDUCGGBNTOE-VXGBXAGGSA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cnnn1C ZINC000947217687 608965615 /nfs/dbraw/zinc/96/56/15/608965615.db2.gz PTOSDUCGGBNTOE-VXGBXAGGSA-N 1 1 327.392 0.798 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC000937637621 608981899 /nfs/dbraw/zinc/98/18/99/608981899.db2.gz OZZQCXHNSWPEFI-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC000937637621 608981900 /nfs/dbraw/zinc/98/19/00/608981900.db2.gz OZZQCXHNSWPEFI-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937197132 609033505 /nfs/dbraw/zinc/03/35/05/609033505.db2.gz ARMUAHBKMSVRIU-SWLSCSKDSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCCC[C@H]1NC(=O)N(C2CC[NH+](CC(=O)N(C)C)CC2)C1=O ZINC000924617711 609084764 /nfs/dbraw/zinc/08/47/64/609084764.db2.gz WLGIPOJXRIXCCD-CQSZACIVSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000936385529 609109696 /nfs/dbraw/zinc/10/96/96/609109696.db2.gz CEBYELJJBFGKSG-RDJZCZTQSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000936385529 609109698 /nfs/dbraw/zinc/10/96/98/609109698.db2.gz CEBYELJJBFGKSG-RDJZCZTQSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC000937842435 609116163 /nfs/dbraw/zinc/11/61/63/609116163.db2.gz WDTMOMBYIXIAEM-RDJZCZTQSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC000937842435 609116167 /nfs/dbraw/zinc/11/61/67/609116167.db2.gz WDTMOMBYIXIAEM-RDJZCZTQSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000937302861 609121025 /nfs/dbraw/zinc/12/10/25/609121025.db2.gz UAUBQZPUANCKNR-OWCLPIDISA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000937302861 609121027 /nfs/dbraw/zinc/12/10/27/609121027.db2.gz UAUBQZPUANCKNR-OWCLPIDISA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(CC)n2)C1 ZINC000938170079 609481242 /nfs/dbraw/zinc/48/12/42/609481242.db2.gz CXMFKGWDVJDOTR-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(CC)n2)C1 ZINC000938170079 609481243 /nfs/dbraw/zinc/48/12/43/609481243.db2.gz CXMFKGWDVJDOTR-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CCn1cc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)cn1 ZINC000907791714 609622687 /nfs/dbraw/zinc/62/26/87/609622687.db2.gz VJLDDKALDNZTCS-OAHLLOKOSA-N 1 1 332.404 0.408 20 30 ECEDMO C#CCn1cc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)cn1 ZINC000907791714 609622688 /nfs/dbraw/zinc/62/26/88/609622688.db2.gz VJLDDKALDNZTCS-OAHLLOKOSA-N 1 1 332.404 0.408 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)c2cccc(C#CCO)c2)CC1(C)C ZINC000908001057 609635047 /nfs/dbraw/zinc/63/50/47/609635047.db2.gz JZWAACGDIDPINJ-UHFFFAOYSA-N 1 1 329.444 0.786 20 30 ECEDMO N#CCC1(CS(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000908015089 609638188 /nfs/dbraw/zinc/63/81/88/609638188.db2.gz MXWFTNXAPMXDSO-ZIAGYGMSSA-N 1 1 327.450 0.541 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920210105 609675243 /nfs/dbraw/zinc/67/52/43/609675243.db2.gz PNDJOQGWIWPYCP-CXAGYDPISA-N 1 1 338.452 0.250 20 30 ECEDMO C#CCCCS(=O)(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920273303 609677332 /nfs/dbraw/zinc/67/73/32/609677332.db2.gz GHLFUGUOHLRALY-LVQVYYBASA-N 1 1 328.478 0.799 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[N@H+]1C ZINC000920411744 609681498 /nfs/dbraw/zinc/68/14/98/609681498.db2.gz JMIDKZVTMJIOMG-SFDCQRBFSA-N 1 1 340.449 0.049 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000933079113 611706268 /nfs/dbraw/zinc/70/62/68/611706268.db2.gz IRNUYSXFZZZFEO-SFHVURJKSA-N 1 1 333.476 0.902 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000938318066 609731490 /nfs/dbraw/zinc/73/14/90/609731490.db2.gz APLJWWUMHGUACP-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn(CC)cn2)C1 ZINC000938323618 609736787 /nfs/dbraw/zinc/73/67/87/609736787.db2.gz CFBWTQBDHXWOLO-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn(CC)cn2)C1 ZINC000938323618 609736788 /nfs/dbraw/zinc/73/67/88/609736788.db2.gz CFBWTQBDHXWOLO-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2nnc(CC)o2)CC1 ZINC000948825767 609758917 /nfs/dbraw/zinc/75/89/17/609758917.db2.gz QHKQWEQJOVTIFV-AWEZNQCLSA-N 1 1 331.420 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2nnc(CC)o2)CC1 ZINC000948825767 609758919 /nfs/dbraw/zinc/75/89/19/609758919.db2.gz QHKQWEQJOVTIFV-AWEZNQCLSA-N 1 1 331.420 0.374 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000938375197 609760389 /nfs/dbraw/zinc/76/03/89/609760389.db2.gz LUVXCLHAJOWHDU-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000938375425 609760795 /nfs/dbraw/zinc/76/07/95/609760795.db2.gz QXHODOZTABPAQG-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C[C@@H]1C ZINC000948030614 609774772 /nfs/dbraw/zinc/77/47/72/609774772.db2.gz HGBWOIXNQOKRKS-GJZGRUSLSA-N 1 1 343.493 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CN3C)C1 ZINC000923596177 609805599 /nfs/dbraw/zinc/80/55/99/609805599.db2.gz ZWPPXERWJGTSQS-ZDUSSCGKSA-N 1 1 327.388 0.297 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CN3C)C1 ZINC000923596177 609805600 /nfs/dbraw/zinc/80/56/00/609805600.db2.gz ZWPPXERWJGTSQS-ZDUSSCGKSA-N 1 1 327.388 0.297 20 30 ECEDMO C=CCNc1ncc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)s1 ZINC000913684169 609811032 /nfs/dbraw/zinc/81/10/32/609811032.db2.gz JLOPMQVDHNRNGJ-UHFFFAOYSA-N 1 1 337.449 0.587 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000914112277 609853898 /nfs/dbraw/zinc/85/38/98/609853898.db2.gz GALKDEDVRZIGPF-MRXNPFEDSA-N 1 1 348.422 0.631 20 30 ECEDMO CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC000914315813 609876388 /nfs/dbraw/zinc/87/63/88/609876388.db2.gz AFNQPFFHSTXGRS-UMVBOHGHSA-N 1 1 340.449 0.050 20 30 ECEDMO CC[N@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC000914315813 609876390 /nfs/dbraw/zinc/87/63/90/609876390.db2.gz AFNQPFFHSTXGRS-UMVBOHGHSA-N 1 1 340.449 0.050 20 30 ECEDMO N#CCc1ccc(CS(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000917065961 609960110 /nfs/dbraw/zinc/96/01/10/609960110.db2.gz CXTNZIOXXOIJSK-QGZVFWFLSA-N 1 1 348.472 0.562 20 30 ECEDMO N#CCc1ccc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000917065961 609960112 /nfs/dbraw/zinc/96/01/12/609960112.db2.gz CXTNZIOXXOIJSK-QGZVFWFLSA-N 1 1 348.472 0.562 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000938755156 609973695 /nfs/dbraw/zinc/97/36/95/609973695.db2.gz WTEDVSKOEWUGEP-NRKLIOEPSA-N 1 1 345.443 0.036 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000938755156 609973697 /nfs/dbraw/zinc/97/36/97/609973697.db2.gz WTEDVSKOEWUGEP-NRKLIOEPSA-N 1 1 345.443 0.036 20 30 ECEDMO CN(CC[N@@H+](C)CCO)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000912603905 609975703 /nfs/dbraw/zinc/97/57/03/609975703.db2.gz QMYOJCDZILTRCX-UHFFFAOYSA-N 1 1 330.310 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cccn2C)C1 ZINC000938756387 609982022 /nfs/dbraw/zinc/98/20/22/609982022.db2.gz OKNXHRCUTTZPQE-RDJZCZTQSA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cccn2C)C1 ZINC000938756387 609982023 /nfs/dbraw/zinc/98/20/23/609982023.db2.gz OKNXHRCUTTZPQE-RDJZCZTQSA-N 1 1 342.443 0.796 20 30 ECEDMO C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H](CO)C1 ZINC000912736672 609994150 /nfs/dbraw/zinc/99/41/50/609994150.db2.gz AMULUIDCXLGGFB-LSDHHAIUSA-N 1 1 346.406 0.659 20 30 ECEDMO C[N@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H](CO)C1 ZINC000912736672 609994151 /nfs/dbraw/zinc/99/41/51/609994151.db2.gz AMULUIDCXLGGFB-LSDHHAIUSA-N 1 1 346.406 0.659 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2noc(C3CC3)n2)CC1 ZINC000948835228 611724894 /nfs/dbraw/zinc/72/48/94/611724894.db2.gz KRUAQFJBKPHGRX-HNNXBMFYSA-N 1 1 343.431 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2noc(C3CC3)n2)CC1 ZINC000948835228 611724896 /nfs/dbraw/zinc/72/48/96/611724896.db2.gz KRUAQFJBKPHGRX-HNNXBMFYSA-N 1 1 343.431 0.689 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nncn3C)C2)nn1 ZINC000939294180 610149938 /nfs/dbraw/zinc/14/99/38/610149938.db2.gz YUSOTOHVYBBZHO-CHWSQXEVSA-N 1 1 344.423 0.233 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939935089 610171048 /nfs/dbraw/zinc/17/10/48/610171048.db2.gz DMAMIHIRMNTFRS-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000939406538 610192819 /nfs/dbraw/zinc/19/28/19/610192819.db2.gz QVRYKDDGARAIDL-NWDGAFQWSA-N 1 1 333.392 0.569 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cccc(C)n2)C1 ZINC000939491343 610214317 /nfs/dbraw/zinc/21/43/17/610214317.db2.gz UEQHPFBWTFFUAV-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cccc(C)n2)C1 ZINC000939491343 610214318 /nfs/dbraw/zinc/21/43/18/610214318.db2.gz UEQHPFBWTFFUAV-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cnn(CC)n3)C2)cn1 ZINC000939567061 610239754 /nfs/dbraw/zinc/23/97/54/610239754.db2.gz HEKUMQCFYDKBGS-SUMWQHHRSA-N 1 1 338.415 0.925 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456803 610319167 /nfs/dbraw/zinc/31/91/67/610319167.db2.gz TZNIMLYLQYXSMY-IEBWSBKVSA-N 1 1 344.503 0.855 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cn3cc(C4CC4)cn3)CC2)C1 ZINC000941462540 610321111 /nfs/dbraw/zinc/32/11/11/610321111.db2.gz CRZRIUUCIKVOCD-UHFFFAOYSA-N 1 1 341.459 0.612 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)C1 ZINC000941463766 610322078 /nfs/dbraw/zinc/32/20/78/610322078.db2.gz AGRABFGCXSXVCQ-MRXNPFEDSA-N 1 1 343.475 0.850 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940665350 610328250 /nfs/dbraw/zinc/32/82/50/610328250.db2.gz UZQGYBFWTZVICR-ZIAGYGMSSA-N 1 1 331.420 0.981 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cn4cccnc4n3)CC2)C1 ZINC000941474881 610331296 /nfs/dbraw/zinc/33/12/96/610331296.db2.gz BYIYFGFUPFWKEG-UHFFFAOYSA-N 1 1 326.404 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cccnn2)CC1 ZINC000941464876 610333791 /nfs/dbraw/zinc/33/37/91/610333791.db2.gz AYQKQVWVBOTHKW-INIZCTEOSA-N 1 1 341.415 0.249 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cccnn2)CC1 ZINC000941464876 610333794 /nfs/dbraw/zinc/33/37/94/610333794.db2.gz AYQKQVWVBOTHKW-INIZCTEOSA-N 1 1 341.415 0.249 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(C(F)F)nn3C)CC2)C1 ZINC000941484639 610337585 /nfs/dbraw/zinc/33/75/85/610337585.db2.gz FBVJLWUKDFVRTC-UHFFFAOYSA-N 1 1 339.390 0.986 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC000941498775 610343702 /nfs/dbraw/zinc/34/37/02/610343702.db2.gz HTBRWFGDUSWMED-MRXNPFEDSA-N 1 1 343.475 0.765 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000940756149 610358260 /nfs/dbraw/zinc/35/82/60/610358260.db2.gz OYNRJLSVLPSPIW-FVQBIDKESA-N 1 1 340.427 0.734 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000940785957 610361231 /nfs/dbraw/zinc/36/12/31/610361231.db2.gz MCXYURCNEMFXJJ-AWEZNQCLSA-N 1 1 343.431 0.903 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000940789690 610363821 /nfs/dbraw/zinc/36/38/21/610363821.db2.gz XMVMNODTYKPIBF-DZGCQCFKSA-N 1 1 343.431 0.759 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)[C@@H](C)C1 ZINC000942259821 610364574 /nfs/dbraw/zinc/36/45/74/610364574.db2.gz UNJFKAGAWWDCJS-AAEUAGOBSA-N 1 1 328.844 0.981 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)[C@@H](C)C1 ZINC000942259821 610364576 /nfs/dbraw/zinc/36/45/76/610364576.db2.gz UNJFKAGAWWDCJS-AAEUAGOBSA-N 1 1 328.844 0.981 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cn(CCC(C)C)nn3)CC2)C1 ZINC000941564422 610385104 /nfs/dbraw/zinc/38/51/04/610385104.db2.gz ICXXFHQQOCBMEH-UHFFFAOYSA-N 1 1 346.479 0.952 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3nnn(CC)c3CC)CC2)C1 ZINC000941565040 610385652 /nfs/dbraw/zinc/38/56/52/610385652.db2.gz QZHSENHVFKOYKU-UHFFFAOYSA-N 1 1 332.452 0.488 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)C1 ZINC000941593365 610388615 /nfs/dbraw/zinc/38/86/15/610388615.db2.gz PBPTWRARQVIXRL-UHFFFAOYSA-N 1 1 339.443 0.819 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC000941587808 610397593 /nfs/dbraw/zinc/39/75/93/610397593.db2.gz VPIWKXJLVINBQB-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn(CC)nc3C)CC2)C1 ZINC000941587880 610397624 /nfs/dbraw/zinc/39/76/24/610397624.db2.gz YLOZRCWWKJWNHR-UHFFFAOYSA-N 1 1 329.448 0.677 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC(N)=O)[C@@H](C)C1 ZINC000942369234 610417967 /nfs/dbraw/zinc/41/79/67/610417967.db2.gz XSYZKNYPYKAACK-ZFWWWQNUSA-N 1 1 329.400 0.624 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC000941632543 610418622 /nfs/dbraw/zinc/41/86/22/610418622.db2.gz JTLHRLXZHKETAM-UHFFFAOYSA-N 1 1 329.448 0.814 20 30 ECEDMO C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908798 610428971 /nfs/dbraw/zinc/42/89/71/610428971.db2.gz PTOXZVNKDFTAPF-YJTLQXIOSA-N 1 1 331.460 0.700 20 30 ECEDMO C#CCN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908798 610428972 /nfs/dbraw/zinc/42/89/72/610428972.db2.gz PTOXZVNKDFTAPF-YJTLQXIOSA-N 1 1 331.460 0.700 20 30 ECEDMO C#CCN1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908798 610428973 /nfs/dbraw/zinc/42/89/73/610428973.db2.gz PTOXZVNKDFTAPF-YJTLQXIOSA-N 1 1 331.460 0.700 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C(C)(C)C1 ZINC000940917837 610439981 /nfs/dbraw/zinc/43/99/81/610439981.db2.gz CVKJEKIUQGGNPS-GVDBMIGSSA-N 1 1 349.475 0.862 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnn(CCOC)c3)CC2)C1 ZINC000941653412 610443334 /nfs/dbraw/zinc/44/33/34/610443334.db2.gz SKBWULQFZXIXOK-UHFFFAOYSA-N 1 1 347.463 0.548 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)cn3)CC2)C1 ZINC000941680854 610453421 /nfs/dbraw/zinc/45/34/21/610453421.db2.gz HFOVQTHPKFSCLL-UHFFFAOYSA-N 1 1 329.448 0.776 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc1 ZINC000942432345 610456879 /nfs/dbraw/zinc/45/68/79/610456879.db2.gz QTRRSEKUOOKIHA-GDBMZVCRSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c(OC)ncnc3OC)CC2)C1 ZINC000941687237 610463969 /nfs/dbraw/zinc/46/39/69/610463969.db2.gz RIWYVGPRSVJOSC-UHFFFAOYSA-N 1 1 347.419 0.122 20 30 ECEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)C(N)=O ZINC000940996963 610476479 /nfs/dbraw/zinc/47/64/79/610476479.db2.gz LFVPVGVUYGVIKU-CQSZACIVSA-N 1 1 332.379 0.899 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)C(N)=O ZINC000940996963 610476481 /nfs/dbraw/zinc/47/64/81/610476481.db2.gz LFVPVGVUYGVIKU-CQSZACIVSA-N 1 1 332.379 0.899 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccnc3c2nnn3C)C(C)(C)C1 ZINC000940986058 610482458 /nfs/dbraw/zinc/48/24/58/610482458.db2.gz GXIMCFBFRZDMRO-ZDUSSCGKSA-N 1 1 326.404 0.827 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)C1 ZINC000940987609 610483198 /nfs/dbraw/zinc/48/31/98/610483198.db2.gz NCIDEBULDCZJHS-QGZVFWFLSA-N 1 1 347.459 0.570 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)C1 ZINC000940987609 610483200 /nfs/dbraw/zinc/48/32/00/610483200.db2.gz NCIDEBULDCZJHS-QGZVFWFLSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000942518395 610493495 /nfs/dbraw/zinc/49/34/95/610493495.db2.gz QXPYJAFXFIJNPC-LSDHHAIUSA-N 1 1 341.477 0.262 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](C)C1 ZINC000942530664 610501520 /nfs/dbraw/zinc/50/15/20/610501520.db2.gz UVZHMZNPSMQKRZ-ZFWWWQNUSA-N 1 1 339.403 0.521 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](C)C1 ZINC000942548901 610508482 /nfs/dbraw/zinc/50/84/82/610508482.db2.gz ZXJNXQKOBJAYIS-AAEUAGOBSA-N 1 1 344.423 0.710 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C(C)(C)C1 ZINC000941049397 610510897 /nfs/dbraw/zinc/51/08/97/610510897.db2.gz ACCDPWAUNCSUJJ-AWEZNQCLSA-N 1 1 330.432 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C(C)(C)C1 ZINC000941049401 610511270 /nfs/dbraw/zinc/51/12/70/610511270.db2.gz ACCDPWAUNCSUJJ-CQSZACIVSA-N 1 1 330.432 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000941050647 610511552 /nfs/dbraw/zinc/51/15/52/610511552.db2.gz GVRFOLWFCIEKTI-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000941050647 610511554 /nfs/dbraw/zinc/51/15/54/610511554.db2.gz GVRFOLWFCIEKTI-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC000941883611 610541605 /nfs/dbraw/zinc/54/16/05/610541605.db2.gz SRJHSVNXXXOAEK-MRXNPFEDSA-N 1 1 337.383 0.599 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC000941873078 610547890 /nfs/dbraw/zinc/54/78/90/610547890.db2.gz RFXVALMDRZUPEJ-ZIAGYGMSSA-N 1 1 334.420 0.746 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929854 610567450 /nfs/dbraw/zinc/56/74/50/610567450.db2.gz PKKNLQPHJGCVSE-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1C[N@@H+](CCN2CCCC2=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941942369 610571662 /nfs/dbraw/zinc/57/16/62/610571662.db2.gz IELAGZKBJHTBIS-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941968963 610582165 /nfs/dbraw/zinc/58/21/65/610582165.db2.gz ZEUPZZWUHUXJHR-SMDDNHRTSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000941190834 610585958 /nfs/dbraw/zinc/58/59/58/610585958.db2.gz LBBOGJPTAIXEMY-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941209910 610597183 /nfs/dbraw/zinc/59/71/83/610597183.db2.gz AZOWTBNTZOIHRA-ZDUSSCGKSA-N 1 1 332.404 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 ZINC000941241568 610614204 /nfs/dbraw/zinc/61/42/04/610614204.db2.gz GCGJWDMFTIITEJ-OWCLPIDISA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 ZINC000941241568 610614206 /nfs/dbraw/zinc/61/42/06/610614206.db2.gz GCGJWDMFTIITEJ-OWCLPIDISA-N 1 1 335.448 0.472 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000941246036 610617216 /nfs/dbraw/zinc/61/72/16/610617216.db2.gz ZTKLFWGPCLGATR-IXDOHACOSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC000941237528 610621110 /nfs/dbraw/zinc/62/11/10/610621110.db2.gz BRNHOTCUCMXOOP-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC000941237528 610621111 /nfs/dbraw/zinc/62/11/11/610621111.db2.gz BRNHOTCUCMXOOP-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(C)(C)C1 ZINC000941237890 610621817 /nfs/dbraw/zinc/62/18/17/610621817.db2.gz SEVVVVQDHJSRDH-AWEZNQCLSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](CC)SC)C1 ZINC000941238313 610622397 /nfs/dbraw/zinc/62/23/97/610622397.db2.gz YIKWKLXAGPRAPS-ILXRZTDVSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](CC)SC)C1 ZINC000941238313 610622399 /nfs/dbraw/zinc/62/23/99/610622399.db2.gz YIKWKLXAGPRAPS-ILXRZTDVSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC000941238092 610622272 /nfs/dbraw/zinc/62/22/72/610622272.db2.gz SUDFBKJLWCUGPC-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC000941238092 610622275 /nfs/dbraw/zinc/62/22/75/610622275.db2.gz SUDFBKJLWCUGPC-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2oc(C)nc2C)C1 ZINC000941238049 610622386 /nfs/dbraw/zinc/62/23/86/610622386.db2.gz QYMJLHDRBBVKNV-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2oc(C)nc2C)C1 ZINC000941238049 610622388 /nfs/dbraw/zinc/62/23/88/610622388.db2.gz QYMJLHDRBBVKNV-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000942105059 610652304 /nfs/dbraw/zinc/65/23/04/610652304.db2.gz GNURQXKUGAUAEE-WCQYABFASA-N 1 1 349.884 0.601 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000942105059 610652307 /nfs/dbraw/zinc/65/23/07/610652307.db2.gz GNURQXKUGAUAEE-WCQYABFASA-N 1 1 349.884 0.601 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2sccc2-n2cnnn2)[C@@H](C)C1 ZINC000942207097 610696660 /nfs/dbraw/zinc/69/66/60/610696660.db2.gz JJPGTDYDSYNFKI-RYUDHWBXSA-N 1 1 330.417 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2csc(C)n2)C1 ZINC000942243434 610715890 /nfs/dbraw/zinc/71/58/90/610715890.db2.gz UCTFIGZZDUJFOS-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2csc(C)n2)C1 ZINC000942243434 610715892 /nfs/dbraw/zinc/71/58/92/610715892.db2.gz UCTFIGZZDUJFOS-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)C(F)F)C1 ZINC000943017714 610716391 /nfs/dbraw/zinc/71/63/91/610716391.db2.gz SPBZISABDXQSHO-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)C(F)F)C1 ZINC000943017714 610716393 /nfs/dbraw/zinc/71/63/93/610716393.db2.gz SPBZISABDXQSHO-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2cocn2)C1 ZINC000943137655 610732950 /nfs/dbraw/zinc/73/29/50/610732950.db2.gz RDRTYRLFQZZFMR-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2cocn2)C1 ZINC000943137655 610732951 /nfs/dbraw/zinc/73/29/51/610732951.db2.gz RDRTYRLFQZZFMR-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000944175308 610766358 /nfs/dbraw/zinc/76/63/58/610766358.db2.gz WWSGVBOPHHMNAF-INIZCTEOSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000944175308 610766360 /nfs/dbraw/zinc/76/63/60/610766360.db2.gz WWSGVBOPHHMNAF-INIZCTEOSA-N 1 1 328.416 0.833 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000943264933 610768080 /nfs/dbraw/zinc/76/80/80/610768080.db2.gz NYJJDBHKFBUOMV-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2C)nc1 ZINC000944192970 610776146 /nfs/dbraw/zinc/77/61/46/610776146.db2.gz PJVANSGMKFOHIP-ZBFHGGJFSA-N 1 1 338.415 0.795 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]2C)nc1 ZINC000944193500 610776670 /nfs/dbraw/zinc/77/66/70/610776670.db2.gz WOCVFLCEDCNTHC-CJNGLKHVSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000943334564 610807137 /nfs/dbraw/zinc/80/71/37/610807137.db2.gz AWEQFVBOOTZFPD-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000943334564 610807138 /nfs/dbraw/zinc/80/71/38/610807138.db2.gz AWEQFVBOOTZFPD-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2cn[nH]n2)C1 ZINC000943336339 610807312 /nfs/dbraw/zinc/80/73/12/610807312.db2.gz KVKIAUQWYNXRGA-ZFWWWQNUSA-N 1 1 344.419 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2cn[nH]n2)C1 ZINC000943336339 610807315 /nfs/dbraw/zinc/80/73/15/610807315.db2.gz KVKIAUQWYNXRGA-ZFWWWQNUSA-N 1 1 344.419 0.013 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2ccon2)C1 ZINC000943337528 610807820 /nfs/dbraw/zinc/80/78/20/610807820.db2.gz SAINTYSGHQJXAE-ZBFHGGJFSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2ccon2)C1 ZINC000943337528 610807823 /nfs/dbraw/zinc/80/78/23/610807823.db2.gz SAINTYSGHQJXAE-ZBFHGGJFSA-N 1 1 344.415 0.883 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000944414940 610857726 /nfs/dbraw/zinc/85/77/26/610857726.db2.gz PQHDLXHDXYKDRW-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000944414940 610857729 /nfs/dbraw/zinc/85/77/29/610857729.db2.gz PQHDLXHDXYKDRW-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)C2CCC2)C1 ZINC000944440998 610866612 /nfs/dbraw/zinc/86/66/12/610866612.db2.gz KJXNXTDHXIOUBP-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)C2CCC2)C1 ZINC000944440998 610866614 /nfs/dbraw/zinc/86/66/14/610866614.db2.gz KJXNXTDHXIOUBP-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](C)C1 ZINC000943516325 610881566 /nfs/dbraw/zinc/88/15/66/610881566.db2.gz LLVJKUWXQJLBMA-HUUCEWRRSA-N 1 1 348.451 0.582 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(=O)NC)n2)[C@@H](C)C1 ZINC000944532352 610951702 /nfs/dbraw/zinc/95/17/02/610951702.db2.gz KUUJNBWRLILPPO-UONOGXRCSA-N 1 1 328.416 0.905 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H](C)C1 ZINC000943761622 610978839 /nfs/dbraw/zinc/97/88/39/610978839.db2.gz PTIWELRBUWTATQ-CZUORRHYSA-N 1 1 330.432 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000943877343 611017270 /nfs/dbraw/zinc/01/72/70/611017270.db2.gz CKAYCWYQCWWSKI-HIFRSBDPSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000943877343 611017273 /nfs/dbraw/zinc/01/72/73/611017273.db2.gz CKAYCWYQCWWSKI-HIFRSBDPSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C[C@H]1CCCO1 ZINC000943887916 611017796 /nfs/dbraw/zinc/01/77/96/611017796.db2.gz WHLXKCHGPPNSEM-ZACQAIPSSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C[C@H]1CCCO1 ZINC000943887916 611017799 /nfs/dbraw/zinc/01/77/99/611017799.db2.gz WHLXKCHGPPNSEM-ZACQAIPSSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2nc3nccc(C)n3n2)[C@H](C)C1 ZINC000944621459 611018434 /nfs/dbraw/zinc/01/84/34/611018434.db2.gz WZXNCLIVJXHDMF-OCCSQVGLSA-N 1 1 326.404 0.896 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C ZINC000945319499 611023463 /nfs/dbraw/zinc/02/34/63/611023463.db2.gz UZORMKWGXUQCJP-CJNGLKHVSA-N 1 1 328.416 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCCOC1 ZINC000943910289 611025078 /nfs/dbraw/zinc/02/50/78/611025078.db2.gz TZRYVEKUVGSPDM-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCCOC1 ZINC000943910289 611025081 /nfs/dbraw/zinc/02/50/81/611025081.db2.gz TZRYVEKUVGSPDM-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(CC)CC)CCO1 ZINC000944646241 611055482 /nfs/dbraw/zinc/05/54/82/611055482.db2.gz GPICXVIZAXWZPS-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(CC)CC)CCO1 ZINC000944646241 611055485 /nfs/dbraw/zinc/05/54/85/611055485.db2.gz GPICXVIZAXWZPS-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C=C\C2CC2)CCO1 ZINC000944649021 611057809 /nfs/dbraw/zinc/05/78/09/611057809.db2.gz YCGKDUUAZLFJJM-ZMJQMOPZSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C=C\C2CC2)CCO1 ZINC000944649021 611057811 /nfs/dbraw/zinc/05/78/11/611057811.db2.gz YCGKDUUAZLFJJM-ZMJQMOPZSA-N 1 1 345.443 0.394 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C)C1 ZINC000943986177 611069676 /nfs/dbraw/zinc/06/96/76/611069676.db2.gz DJLYRTJIZYFLTN-STQMWFEESA-N 1 1 336.436 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC000944101444 611124503 /nfs/dbraw/zinc/12/45/03/611124503.db2.gz VIDBDWJBKDFOIZ-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC000944101444 611124505 /nfs/dbraw/zinc/12/45/05/611124505.db2.gz VIDBDWJBKDFOIZ-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1CCOCC1 ZINC000944098512 611130966 /nfs/dbraw/zinc/13/09/66/611130966.db2.gz ANCSKVQRNSXYQQ-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1CCOCC1 ZINC000944098512 611130968 /nfs/dbraw/zinc/13/09/68/611130968.db2.gz ANCSKVQRNSXYQQ-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCOC)C[C@H]3CC2)nn1 ZINC000946810276 611169529 /nfs/dbraw/zinc/16/95/29/611169529.db2.gz AYSYNMJWAWGCFP-GASCZTMLSA-N 1 1 333.436 0.895 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)CC[C@@H]2C1 ZINC000946813385 611170602 /nfs/dbraw/zinc/17/06/02/611170602.db2.gz QWHOKRVMICYHOP-IYBDPMFKSA-N 1 1 344.463 0.990 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)CC[C@@H]2C1 ZINC000946848513 611194536 /nfs/dbraw/zinc/19/45/36/611194536.db2.gz DFSGSQPDIDNQPM-OKILXGFUSA-N 1 1 346.431 0.120 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)CC[C@@H]2C1 ZINC000946859288 611202313 /nfs/dbraw/zinc/20/23/13/611202313.db2.gz QKXVQPKQPALOMG-GASCZTMLSA-N 1 1 346.431 0.074 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923282286 611224308 /nfs/dbraw/zinc/22/43/08/611224308.db2.gz MBWXUCDZYWDAOW-QZTJIDSGSA-N 1 1 342.443 0.735 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000923282286 611224309 /nfs/dbraw/zinc/22/43/09/611224309.db2.gz MBWXUCDZYWDAOW-QZTJIDSGSA-N 1 1 342.443 0.735 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000923282286 611224310 /nfs/dbraw/zinc/22/43/10/611224310.db2.gz MBWXUCDZYWDAOW-QZTJIDSGSA-N 1 1 342.443 0.735 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)CC[C@@H]2C1 ZINC000946884464 611224659 /nfs/dbraw/zinc/22/46/59/611224659.db2.gz BYAGEFRXGDHZAZ-OKILXGFUSA-N 1 1 341.415 0.383 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)CC[C@@H]2C1 ZINC000946884606 611224692 /nfs/dbraw/zinc/22/46/92/611224692.db2.gz JPFDMKNTCGEUAS-GASCZTMLSA-N 1 1 346.431 0.074 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC[C@@H]2C1 ZINC000946884495 611224711 /nfs/dbraw/zinc/22/47/11/611224711.db2.gz CVEBQWUQYPTBPH-QLFBSQMISA-N 1 1 346.431 0.168 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC[C@@H]2C1 ZINC000946884943 611225005 /nfs/dbraw/zinc/22/50/05/611225005.db2.gz QMLMGFVWECBPTQ-QLFBSQMISA-N 1 1 348.447 0.721 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C(C)=O)CC[C@@H]2C1 ZINC000946896187 611239136 /nfs/dbraw/zinc/23/91/36/611239136.db2.gz GGZFWGHAFHKJGH-KSZLIROESA-N 1 1 347.459 0.427 20 30 ECEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C1(O)CCOCC1 ZINC000929394903 611255737 /nfs/dbraw/zinc/25/57/37/611255737.db2.gz FUSUVIJNOQMCOB-QGZVFWFLSA-N 1 1 334.416 0.909 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCCOC)n2)C1 ZINC000923558770 611260991 /nfs/dbraw/zinc/26/09/91/611260991.db2.gz VLJBQBQYVBSLEQ-AWEZNQCLSA-N 1 1 332.404 0.107 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCCOC)n2)C1 ZINC000923558770 611260994 /nfs/dbraw/zinc/26/09/94/611260994.db2.gz VLJBQBQYVBSLEQ-AWEZNQCLSA-N 1 1 332.404 0.107 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CN3CCOCC3)cn2)C1 ZINC000923561731 611262669 /nfs/dbraw/zinc/26/26/69/611262669.db2.gz KJJYXCNTEIFZAN-KRWDZBQOSA-N 1 1 342.443 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CN3CCOCC3)cn2)C1 ZINC000923561731 611262670 /nfs/dbraw/zinc/26/26/70/611262670.db2.gz KJJYXCNTEIFZAN-KRWDZBQOSA-N 1 1 342.443 0.741 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(OC)c(-n3cnnn3)c2)C1 ZINC000923564943 611264095 /nfs/dbraw/zinc/26/40/95/611264095.db2.gz BDFOHCQFNOZSMV-AWEZNQCLSA-N 1 1 340.387 0.498 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC)c(-n3cnnn3)c2)C1 ZINC000923564943 611264096 /nfs/dbraw/zinc/26/40/96/611264096.db2.gz BDFOHCQFNOZSMV-AWEZNQCLSA-N 1 1 340.387 0.498 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCCS(=O)(=O)N2CCCC2)C1 ZINC000923586823 611269921 /nfs/dbraw/zinc/26/99/21/611269921.db2.gz SJTJMFRYJFUNII-HNNXBMFYSA-N 1 1 341.477 0.406 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCS(=O)(=O)N2CCCC2)C1 ZINC000923586823 611269923 /nfs/dbraw/zinc/26/99/23/611269923.db2.gz SJTJMFRYJFUNII-HNNXBMFYSA-N 1 1 341.477 0.406 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2Oc3ccccc3NC2=O)C1 ZINC000923591749 611271303 /nfs/dbraw/zinc/27/13/03/611271303.db2.gz JEVZRWPFNCACSL-BBRMVZONSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2Oc3ccccc3NC2=O)C1 ZINC000923591749 611271305 /nfs/dbraw/zinc/27/13/05/611271305.db2.gz JEVZRWPFNCACSL-BBRMVZONSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCC)cc2)C1 ZINC000923591717 611271434 /nfs/dbraw/zinc/27/14/34/611271434.db2.gz CECKRWJDYMEGLV-OAHLLOKOSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCC)cc2)C1 ZINC000923591717 611271435 /nfs/dbraw/zinc/27/14/35/611271435.db2.gz CECKRWJDYMEGLV-OAHLLOKOSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N(C)C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000948597423 611291609 /nfs/dbraw/zinc/29/16/09/611291609.db2.gz BBCSPHSLRKXZEE-CABCVRRESA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000948597423 611291611 /nfs/dbraw/zinc/29/16/11/611291611.db2.gz BBCSPHSLRKXZEE-CABCVRRESA-N 1 1 326.462 0.757 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2CC1 ZINC000946514582 611294727 /nfs/dbraw/zinc/29/47/27/611294727.db2.gz HNMLPTJEMWLTTD-BARDWOONSA-N 1 1 332.448 0.984 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000946517547 611296481 /nfs/dbraw/zinc/29/64/81/611296481.db2.gz FISYWOIUECAQBZ-LRDDRELGSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nnnn3C)C[C@H]2CC1 ZINC000946521409 611298914 /nfs/dbraw/zinc/29/89/14/611298914.db2.gz RARZBBVIRUGOJL-RQJABVFESA-N 1 1 331.424 0.601 20 30 ECEDMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)CC[C@@H]2C1 ZINC000946559220 611319593 /nfs/dbraw/zinc/31/95/93/611319593.db2.gz WDOYZQGPYMIALX-ZENOOKHLSA-N 1 1 343.431 0.934 20 30 ECEDMO C=CCOCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000921869528 611322717 /nfs/dbraw/zinc/32/27/17/611322717.db2.gz BMTBZFVOBHZHDA-ANQUJSFKSA-N 1 1 325.453 0.968 20 30 ECEDMO C=CCOCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000921869524 611322733 /nfs/dbraw/zinc/32/27/33/611322733.db2.gz BMTBZFVOBHZHDA-AIANPOQGSA-N 1 1 325.453 0.968 20 30 ECEDMO C=CCOCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000921869530 611322834 /nfs/dbraw/zinc/32/28/34/611322834.db2.gz BMTBZFVOBHZHDA-KCYZZUKISA-N 1 1 325.453 0.968 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921912026 611326048 /nfs/dbraw/zinc/32/60/48/611326048.db2.gz VMZGFNMYSNUNQB-JSGCOSHPSA-N 1 1 330.454 0.166 20 30 ECEDMO C#CCC1(O)CCN(C(=O)CC[N@H+](C)CCOCCOC)CC1 ZINC000922189164 611342504 /nfs/dbraw/zinc/34/25/04/611342504.db2.gz KBRAPGQWBDQGSW-UHFFFAOYSA-N 1 1 326.437 0.348 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)[C@H](C)C1 ZINC000947903170 611736766 /nfs/dbraw/zinc/73/67/66/611736766.db2.gz DTCSBBQUHAGCFZ-ZIAGYGMSSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)[C@H](C)C1 ZINC000947903170 611736768 /nfs/dbraw/zinc/73/67/68/611736768.db2.gz DTCSBBQUHAGCFZ-ZIAGYGMSSA-N 1 1 346.431 0.975 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933652831 611738990 /nfs/dbraw/zinc/73/89/90/611738990.db2.gz SFWPNMJQLYQNOP-UONOGXRCSA-N 1 1 349.431 0.437 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)C[C@]2(O)CCOC2)c1 ZINC000929289439 611742727 /nfs/dbraw/zinc/74/27/27/611742727.db2.gz CCUWBXHCQBESSA-SJLPKXTDSA-N 1 1 332.400 0.441 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)C[C@]2(O)CCOC2)c1 ZINC000929289439 611742728 /nfs/dbraw/zinc/74/27/28/611742728.db2.gz CCUWBXHCQBESSA-SJLPKXTDSA-N 1 1 332.400 0.441 20 30 ECEDMO CN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@@H+](C)CC1 ZINC000934000347 611764999 /nfs/dbraw/zinc/76/49/99/611764999.db2.gz LUCWSHAVNZJOGZ-QGZVFWFLSA-N 1 1 332.448 0.477 20 30 ECEDMO CN1CCN(C)CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000934000347 611765000 /nfs/dbraw/zinc/76/50/00/611765000.db2.gz LUCWSHAVNZJOGZ-QGZVFWFLSA-N 1 1 332.448 0.477 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC ZINC000934854319 611826301 /nfs/dbraw/zinc/82/63/01/611826301.db2.gz XENUANQHLBEIFS-CQSZACIVSA-N 1 1 339.436 0.694 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC ZINC000934854319 611826303 /nfs/dbraw/zinc/82/63/03/611826303.db2.gz XENUANQHLBEIFS-CQSZACIVSA-N 1 1 339.436 0.694 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)COC1CCCC1 ZINC000950752498 611888606 /nfs/dbraw/zinc/88/86/06/611888606.db2.gz BEYLMXRUVHMDKW-RDJZCZTQSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)COC1CCCC1 ZINC000950752498 611888608 /nfs/dbraw/zinc/88/86/08/611888608.db2.gz BEYLMXRUVHMDKW-RDJZCZTQSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)[nH]n1 ZINC000950754176 611889305 /nfs/dbraw/zinc/88/93/05/611889305.db2.gz RSXRPXJAQSUJHE-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)n[nH]1 ZINC000950754176 611889306 /nfs/dbraw/zinc/88/93/06/611889306.db2.gz RSXRPXJAQSUJHE-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)n[nH]1 ZINC000950754176 611889307 /nfs/dbraw/zinc/88/93/07/611889307.db2.gz RSXRPXJAQSUJHE-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000950229619 611913967 /nfs/dbraw/zinc/91/39/67/611913967.db2.gz AOMLUVVRJYWNLJ-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000950233837 611919004 /nfs/dbraw/zinc/91/90/04/611919004.db2.gz HWMDRGKBVIKXSQ-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nc1 ZINC000950241979 611924549 /nfs/dbraw/zinc/92/45/49/611924549.db2.gz UZEQSQLSSSSMLB-VNQPRFMTSA-N 1 1 340.427 0.734 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298030 611931086 /nfs/dbraw/zinc/93/10/86/611931086.db2.gz HTZMPMLCXYQTMA-RISCZKNCSA-N 1 1 340.387 0.819 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@@H]3C(=O)OC)CC2)C1 ZINC000949317385 611936438 /nfs/dbraw/zinc/93/64/38/611936438.db2.gz LAMPLKHCMYPAKL-GJZGRUSLSA-N 1 1 334.416 0.512 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC000949365875 611953718 /nfs/dbraw/zinc/95/37/18/611953718.db2.gz KIEYYQRDABAJFV-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC000949365875 611953719 /nfs/dbraw/zinc/95/37/19/611953719.db2.gz KIEYYQRDABAJFV-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)no1 ZINC000949401389 611965866 /nfs/dbraw/zinc/96/58/66/611965866.db2.gz AXPBGYOKMKBSKQ-UHFFFAOYSA-N 1 1 347.419 0.567 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 ZINC000949446801 611983748 /nfs/dbraw/zinc/98/37/48/611983748.db2.gz DHCVZUUOLSQCKB-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000949448437 611984130 /nfs/dbraw/zinc/98/41/30/611984130.db2.gz CQMOVGPZZNQMLZ-KWCYVHTRSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC000949487741 612001182 /nfs/dbraw/zinc/00/11/82/612001182.db2.gz YDEYXNUSZAHRAW-UHFFFAOYSA-N 1 1 344.415 0.816 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC3(CC2)C[N@@H+](C[C@@H](C)O)CCO3)nn1 ZINC000949489427 612002619 /nfs/dbraw/zinc/00/26/19/612002619.db2.gz CUJDMEMYJOKNSB-CQSZACIVSA-N 1 1 349.435 0.152 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000949499242 612008940 /nfs/dbraw/zinc/00/89/40/612008940.db2.gz YQLKQMFPFZFHKA-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(CC)nn3)CC2)C1 ZINC000949503282 612011703 /nfs/dbraw/zinc/01/17/03/612011703.db2.gz BRCIOIGJMKHURT-UHFFFAOYSA-N 1 1 331.420 0.628 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cn(CC)nn3)CC2)C1 ZINC000949503282 612011704 /nfs/dbraw/zinc/01/17/04/612011704.db2.gz BRCIOIGJMKHURT-UHFFFAOYSA-N 1 1 331.420 0.628 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](CCO)CCO3)cn1 ZINC000949515555 612017430 /nfs/dbraw/zinc/01/74/30/612017430.db2.gz XQRAUYBHNOKHQF-UHFFFAOYSA-N 1 1 329.400 0.362 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccnn1CC ZINC000949571391 612033932 /nfs/dbraw/zinc/03/39/32/612033932.db2.gz RMAFZNMLIUWVHI-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccnn1CC ZINC000949571391 612033933 /nfs/dbraw/zinc/03/39/33/612033933.db2.gz RMAFZNMLIUWVHI-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000952718276 612082101 /nfs/dbraw/zinc/08/21/01/612082101.db2.gz UWJLNIBOWIOCOB-ZACQAIPSSA-N 1 1 329.444 0.943 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@@H](C)C#N)C1 ZINC000952725401 612083872 /nfs/dbraw/zinc/08/38/72/612083872.db2.gz MVYGDPODTUCNQH-CAOSSQGBSA-N 1 1 348.447 0.459 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@@H](C)C#N)C1 ZINC000952725401 612083873 /nfs/dbraw/zinc/08/38/73/612083873.db2.gz MVYGDPODTUCNQH-CAOSSQGBSA-N 1 1 348.447 0.459 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC000951933826 612141617 /nfs/dbraw/zinc/14/16/17/612141617.db2.gz OACPTPIXHOKHBB-JSGCOSHPSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC000951933826 612141618 /nfs/dbraw/zinc/14/16/18/612141618.db2.gz OACPTPIXHOKHBB-JSGCOSHPSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C ZINC000951369142 612186771 /nfs/dbraw/zinc/18/67/71/612186771.db2.gz CVKHNYCUIMSRHT-YUELXQCFSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C ZINC000951369142 612186774 /nfs/dbraw/zinc/18/67/74/612186774.db2.gz CVKHNYCUIMSRHT-YUELXQCFSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC000951370654 612187701 /nfs/dbraw/zinc/18/77/01/612187701.db2.gz SQYTXFUCGNALPV-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC000951370654 612187702 /nfs/dbraw/zinc/18/77/02/612187702.db2.gz SQYTXFUCGNALPV-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000951410840 612211460 /nfs/dbraw/zinc/21/14/60/612211460.db2.gz NSJPMYBJHKVTTP-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000951492387 612268402 /nfs/dbraw/zinc/26/84/02/612268402.db2.gz QZDNNMHDPOZBRL-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000954472278 612308915 /nfs/dbraw/zinc/30/89/15/612308915.db2.gz DBFHGOHECDCJDC-XHDPSFHLSA-N 1 1 344.419 0.619 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000954472278 612308919 /nfs/dbraw/zinc/30/89/19/612308919.db2.gz DBFHGOHECDCJDC-XHDPSFHLSA-N 1 1 344.419 0.619 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC000955264171 612394573 /nfs/dbraw/zinc/39/45/73/612394573.db2.gz UEQXXIMGLDMGCD-UHFFFAOYSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2ccc[nH]2)C1 ZINC000954630546 612468145 /nfs/dbraw/zinc/46/81/45/612468145.db2.gz CXHCKPCLFCYSRC-INIZCTEOSA-N 1 1 328.416 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2ccc[nH]2)C1 ZINC000954630546 612468148 /nfs/dbraw/zinc/46/81/48/612468148.db2.gz CXHCKPCLFCYSRC-INIZCTEOSA-N 1 1 328.416 0.324 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2csnc2C)C1 ZINC000954631275 612469375 /nfs/dbraw/zinc/46/93/75/612469375.db2.gz UOGFDKOFVVKEPN-HNNXBMFYSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2csnc2C)C1 ZINC000954631275 612469380 /nfs/dbraw/zinc/46/93/80/612469380.db2.gz UOGFDKOFVVKEPN-HNNXBMFYSA-N 1 1 346.456 0.832 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954646583 612488048 /nfs/dbraw/zinc/48/80/48/612488048.db2.gz KGXASKQKMFNRHY-DDUZABMNSA-N 1 1 337.464 0.977 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954646583 612488051 /nfs/dbraw/zinc/48/80/51/612488051.db2.gz KGXASKQKMFNRHY-DDUZABMNSA-N 1 1 337.464 0.977 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000952537851 612491797 /nfs/dbraw/zinc/49/17/97/612491797.db2.gz ZYRRBCIVEZLQDC-IKGGRYGDSA-N 1 1 345.443 0.322 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000952537851 612491801 /nfs/dbraw/zinc/49/18/01/612491801.db2.gz ZYRRBCIVEZLQDC-IKGGRYGDSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2oc(C)nc2C)C1 ZINC000953962379 612505426 /nfs/dbraw/zinc/50/54/26/612505426.db2.gz HZJOWSOSIQCOII-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2oc(C)nc2C)C1 ZINC000953962379 612505433 /nfs/dbraw/zinc/50/54/33/612505433.db2.gz HZJOWSOSIQCOII-HNNXBMFYSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC000956840594 612613202 /nfs/dbraw/zinc/61/32/02/612613202.db2.gz QJDVENRYDHSBDW-MPGHIAIKSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC000956840594 612613207 /nfs/dbraw/zinc/61/32/07/612613207.db2.gz QJDVENRYDHSBDW-MPGHIAIKSA-N 1 1 333.432 0.370 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956841858 612615412 /nfs/dbraw/zinc/61/54/12/612615412.db2.gz RTAWPSNZAFVQBP-FZKQIMNGSA-N 1 1 343.431 0.949 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954088279 612647048 /nfs/dbraw/zinc/64/70/48/612647048.db2.gz DAKWIARKRWASDH-UHFFFAOYSA-N 1 1 326.360 0.374 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000956102317 612708065 /nfs/dbraw/zinc/70/80/65/612708065.db2.gz KOQVGRVIQDWJMJ-HNNXBMFYSA-N 1 1 340.387 0.812 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000956928813 612712432 /nfs/dbraw/zinc/71/24/32/612712432.db2.gz LOVYTEXRKIFPGK-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nc1 ZINC000954911974 612781092 /nfs/dbraw/zinc/78/10/92/612781092.db2.gz CXXBOMQTCFECLB-CQSZACIVSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H]2CCCO2)CC1 ZINC000956277921 612809440 /nfs/dbraw/zinc/80/94/40/612809440.db2.gz PQBFNQFHOPAYMC-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H]2CCCO2)CC1 ZINC000956277921 612809442 /nfs/dbraw/zinc/80/94/42/612809442.db2.gz PQBFNQFHOPAYMC-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC000954383290 612886181 /nfs/dbraw/zinc/88/61/81/612886181.db2.gz WJQTUVYYTCVUMI-HNNXBMFYSA-N 1 1 346.435 0.231 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000954393868 612889258 /nfs/dbraw/zinc/88/92/58/612889258.db2.gz GXYJBVXABPDNND-ZVZYQTTQSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccncc2)C1 ZINC000956643719 612927634 /nfs/dbraw/zinc/92/76/34/612927634.db2.gz OIANLDFPNQKBOL-LPHOPBHVSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccncc2)C1 ZINC000956643719 612927635 /nfs/dbraw/zinc/92/76/35/612927635.db2.gz OIANLDFPNQKBOL-LPHOPBHVSA-N 1 1 340.427 0.900 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041779298 782187843 /nfs/dbraw/zinc/18/78/43/782187843.db2.gz OPPGOHMGETXSTP-SFHVURJKSA-N 1 1 344.415 0.670 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001041779298 782187852 /nfs/dbraw/zinc/18/78/52/782187852.db2.gz OPPGOHMGETXSTP-SFHVURJKSA-N 1 1 344.415 0.670 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C)ncc3C#N)CC[C@H]2C1 ZINC001164851868 720848217 /nfs/dbraw/zinc/84/82/17/720848217.db2.gz IILIRKXZQKTPKP-HOCLYGCPSA-N 1 1 331.420 0.830 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)Nc2cnc(C#N)cn2)C1 ZINC001098215592 735305190 /nfs/dbraw/zinc/30/51/90/735305190.db2.gz RBRNVHOBGOQXOI-GXTWGEPZSA-N 1 1 332.408 0.374 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)Nc2ncccc2C#N)C1 ZINC001098215775 735363416 /nfs/dbraw/zinc/36/34/16/735363416.db2.gz VXGBNJMCPCYTIB-ZFWWWQNUSA-N 1 1 331.420 0.979 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC001041786854 782206061 /nfs/dbraw/zinc/20/60/61/782206061.db2.gz WITXHDGJQBIWMX-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786854 782206066 /nfs/dbraw/zinc/20/60/66/782206066.db2.gz WITXHDGJQBIWMX-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786854 782206071 /nfs/dbraw/zinc/20/60/71/782206071.db2.gz WITXHDGJQBIWMX-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786854 782206074 /nfs/dbraw/zinc/20/60/74/782206074.db2.gz WITXHDGJQBIWMX-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786854 782206079 /nfs/dbraw/zinc/20/60/79/782206079.db2.gz WITXHDGJQBIWMX-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000972004114 735488305 /nfs/dbraw/zinc/48/83/05/735488305.db2.gz CDJGCGDMRIWQHT-CYBMUJFWSA-N 1 1 347.810 0.956 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000972004114 735488307 /nfs/dbraw/zinc/48/83/07/735488307.db2.gz CDJGCGDMRIWQHT-CYBMUJFWSA-N 1 1 347.810 0.956 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(CC4CC4)nn3)[C@H]2C1 ZINC001083236201 735499871 /nfs/dbraw/zinc/49/98/71/735499871.db2.gz PZVNNZKVJAYUJS-JKSUJKDBSA-N 1 1 329.404 0.237 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(CC4CC4)nn3)[C@H]2C1 ZINC001083236201 735499872 /nfs/dbraw/zinc/49/98/72/735499872.db2.gz PZVNNZKVJAYUJS-JKSUJKDBSA-N 1 1 329.404 0.237 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001104537098 738446441 /nfs/dbraw/zinc/44/64/41/738446441.db2.gz APBWZLUJBWSCSW-GXTWGEPZSA-N 1 1 332.408 0.246 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001104537098 738446442 /nfs/dbraw/zinc/44/64/42/738446442.db2.gz APBWZLUJBWSCSW-GXTWGEPZSA-N 1 1 332.408 0.246 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 ZINC001125278916 731550728 /nfs/dbraw/zinc/55/07/28/731550728.db2.gz GZKLZMCAXCUQEH-UKRRQHHQSA-N 1 1 346.435 0.088 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)cn1 ZINC001125279262 731556800 /nfs/dbraw/zinc/55/68/00/731556800.db2.gz JIOFIGQNZLTNFB-HOCLYGCPSA-N 1 1 345.447 0.693 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccncc3)C2)C1=O ZINC000969210322 731604237 /nfs/dbraw/zinc/60/42/37/731604237.db2.gz QRRZYZIQJWISPG-BBRMVZONSA-N 1 1 328.416 0.919 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)nc1 ZINC001041795140 782225527 /nfs/dbraw/zinc/22/55/27/782225527.db2.gz ZHQPFAQUHPOSLJ-IBGZPJMESA-N 1 1 340.427 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@]1(C)CCCOC1 ZINC001078061778 782230647 /nfs/dbraw/zinc/23/06/47/782230647.db2.gz HNQAACJTMUKNKY-TXPKVOOTSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@]1(C)CCCOC1 ZINC001078061778 782230655 /nfs/dbraw/zinc/23/06/55/782230655.db2.gz HNQAACJTMUKNKY-TXPKVOOTSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cncs3)C2)C1=O ZINC000969359582 731757099 /nfs/dbraw/zinc/75/70/99/731757099.db2.gz VXMYUSLNKNNQHP-YPMHNXCESA-N 1 1 334.445 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)C3=COCCC3)C2)C1=O ZINC000969395327 731796579 /nfs/dbraw/zinc/79/65/79/731796579.db2.gz HWDNFAJECDDAHY-XJKSGUPXSA-N 1 1 333.432 0.904 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC000969453580 731904679 /nfs/dbraw/zinc/90/46/79/731904679.db2.gz ZEXSTPBJLVDRNY-SWLSCSKDSA-N 1 1 344.415 0.624 20 30 ECEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001114984356 731911727 /nfs/dbraw/zinc/91/17/27/731911727.db2.gz DEEVIWFDASUJRX-ZYIUAKIQSA-N 1 1 330.432 0.826 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccc(C#N)nc1)C(=O)Cc1c[nH]cn1 ZINC001125299403 731913625 /nfs/dbraw/zinc/91/36/25/731913625.db2.gz NENPZVDUFHGETD-OAHLLOKOSA-N 1 1 328.376 0.175 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969597459 731995259 /nfs/dbraw/zinc/99/52/59/731995259.db2.gz ZVIXQHYVRKOZNJ-LRDDRELGSA-N 1 1 345.374 0.722 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3n[nH]cc3C)C2)C1=O ZINC000969649117 732022875 /nfs/dbraw/zinc/02/28/75/732022875.db2.gz MHBZUUFNJQBXTI-OCCSQVGLSA-N 1 1 331.420 0.555 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000969743780 732307189 /nfs/dbraw/zinc/30/71/89/732307189.db2.gz OGTFZQIWINGADL-CQSZACIVSA-N 1 1 341.346 0.785 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3nc4nccc(C)n4n3)C2)C1 ZINC001041812890 782254953 /nfs/dbraw/zinc/25/49/53/782254953.db2.gz OPNZHGJRFJDGKJ-SFHVURJKSA-N 1 1 338.415 0.994 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nc(C)no2)C1 ZINC000969867389 732465663 /nfs/dbraw/zinc/46/56/63/732465663.db2.gz CKORUYHCZKTPMS-WFASDCNBSA-N 1 1 331.420 0.412 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nc(C)no2)C1 ZINC000969867389 732465665 /nfs/dbraw/zinc/46/56/65/732465665.db2.gz CKORUYHCZKTPMS-WFASDCNBSA-N 1 1 331.420 0.412 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC000969908213 732506218 /nfs/dbraw/zinc/50/62/18/732506218.db2.gz POYNQWJTRTYEKV-SMDDNHRTSA-N 1 1 345.403 0.019 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001041828307 782286093 /nfs/dbraw/zinc/28/60/93/782286093.db2.gz XQMZPYWCCWHWNH-QGZVFWFLSA-N 1 1 332.404 0.600 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(=O)cc3OC)[C@H]2C1 ZINC001083195091 732863890 /nfs/dbraw/zinc/86/38/90/732863890.db2.gz BJZYIFOBPWSIAK-DZGCQCFKSA-N 1 1 333.388 0.897 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC001098532757 733051393 /nfs/dbraw/zinc/05/13/93/733051393.db2.gz CUXALYIXCQJTJO-ZDUSSCGKSA-N 1 1 333.436 0.381 20 30 ECEDMO C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001098532757 733051394 /nfs/dbraw/zinc/05/13/94/733051394.db2.gz CUXALYIXCQJTJO-ZDUSSCGKSA-N 1 1 333.436 0.381 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001098532757 733051398 /nfs/dbraw/zinc/05/13/98/733051398.db2.gz CUXALYIXCQJTJO-ZDUSSCGKSA-N 1 1 333.436 0.381 20 30 ECEDMO C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001098532757 733051399 /nfs/dbraw/zinc/05/13/99/733051399.db2.gz CUXALYIXCQJTJO-ZDUSSCGKSA-N 1 1 333.436 0.381 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001098532757 733051402 /nfs/dbraw/zinc/05/14/02/733051402.db2.gz CUXALYIXCQJTJO-ZDUSSCGKSA-N 1 1 333.436 0.381 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CNc2ccnc(C#N)n2)C(C)(C)C)C1 ZINC001125828477 738676077 /nfs/dbraw/zinc/67/60/77/738676077.db2.gz TUJYQNKYHRJHTH-CHWSQXEVSA-N 1 1 346.435 0.044 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CNc2ccnc(C#N)n2)C(C)(C)C)C1 ZINC001125828477 738676078 /nfs/dbraw/zinc/67/60/78/738676078.db2.gz TUJYQNKYHRJHTH-CHWSQXEVSA-N 1 1 346.435 0.044 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(N)=O ZINC001087363402 738678798 /nfs/dbraw/zinc/67/87/98/738678798.db2.gz HZOBXRLSDYAIII-FZKCQIBNSA-N 1 1 342.443 0.942 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001078113625 782320834 /nfs/dbraw/zinc/32/08/34/782320834.db2.gz WLIJLYZCIHCODC-UKRRQHHQSA-N 1 1 326.352 0.591 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001078113625 782320838 /nfs/dbraw/zinc/32/08/38/782320838.db2.gz WLIJLYZCIHCODC-UKRRQHHQSA-N 1 1 326.352 0.591 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC001125361137 733172583 /nfs/dbraw/zinc/17/25/83/733172583.db2.gz PYQOMCYJHQXCHW-UHFFFAOYSA-N 1 1 327.392 0.724 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cn(C)nn3)C2)cc1 ZINC000970197954 733180204 /nfs/dbraw/zinc/18/02/04/733180204.db2.gz CGENAMVLPIJKNB-OAHLLOKOSA-N 1 1 339.399 0.831 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000970221504 733231903 /nfs/dbraw/zinc/23/19/03/733231903.db2.gz ZVQFXVHWTRGWOR-KBMXLJTQSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nonc3C)C2)nn1 ZINC000970224325 733235168 /nfs/dbraw/zinc/23/51/68/733235168.db2.gz OJKPXYJGOVHXFJ-GFCCVEGCSA-N 1 1 331.380 0.550 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CCOC)C3)C2)CC1 ZINC001041845366 782325823 /nfs/dbraw/zinc/32/58/23/782325823.db2.gz XHKUHYWTNWRGLM-IBGZPJMESA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@]3(CC[N@H+](CCOC)C3)C2)CC1 ZINC001041845366 782325834 /nfs/dbraw/zinc/32/58/34/782325834.db2.gz XHKUHYWTNWRGLM-IBGZPJMESA-N 1 1 333.476 0.902 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970265320 733274574 /nfs/dbraw/zinc/27/45/74/733274574.db2.gz PBQKHQMEPGUFTF-CXAGYDPISA-N 1 1 343.402 0.750 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC001039175664 733517408 /nfs/dbraw/zinc/51/74/08/733517408.db2.gz ZTQQCPXCTOPUBU-INIZCTEOSA-N 1 1 329.448 0.941 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001078135655 782354552 /nfs/dbraw/zinc/35/45/52/782354552.db2.gz KJKPODXQVGUGKP-HUUCEWRRSA-N 1 1 328.376 0.013 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000970512266 733631901 /nfs/dbraw/zinc/63/19/01/733631901.db2.gz ZUKSPRBOQLVNIW-CQSZACIVSA-N 1 1 337.383 0.888 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC000970543754 733660602 /nfs/dbraw/zinc/66/06/02/733660602.db2.gz ACVVBDDZUPGBRF-VXGBXAGGSA-N 1 1 346.435 0.181 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 ZINC001098538212 733682687 /nfs/dbraw/zinc/68/26/87/733682687.db2.gz LKPKGKKMNOOQJY-KRWDZBQOSA-N 1 1 337.464 0.859 20 30 ECEDMO C[C@H](NC(=O)c1cnn(C)n1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970574756 733690570 /nfs/dbraw/zinc/69/05/70/733690570.db2.gz LLEIGCGDONXGRQ-JTQLQIEISA-N 1 1 330.417 0.999 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC000970576998 733693645 /nfs/dbraw/zinc/69/36/45/733693645.db2.gz JSONXFMBLOCFAG-CZUORRHYSA-N 1 1 338.415 0.686 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cccnn3)C2)C1=O ZINC000970637021 733767506 /nfs/dbraw/zinc/76/75/06/733767506.db2.gz OEVVHMXYQZJFMX-DOMZBBRYSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cn(CC)nn3)C2)C1=O ZINC000970660818 733792760 /nfs/dbraw/zinc/79/27/60/733792760.db2.gz SVGCHOQQLBIKFH-WFASDCNBSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)Cc3cnc[nH]3)CC2)C1=O ZINC001167331542 733797852 /nfs/dbraw/zinc/79/78/52/733797852.db2.gz PMJUGAFZYFSRGV-OAHLLOKOSA-N 1 1 345.447 0.615 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)CC1 ZINC000970792290 733943094 /nfs/dbraw/zinc/94/30/94/733943094.db2.gz IHWPONZGBMYPIE-GOSISDBHSA-N 1 1 343.475 0.498 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000973114483 738783607 /nfs/dbraw/zinc/78/36/07/738783607.db2.gz BNBLFRWYZOGKRU-VGWMRTNUSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000973114483 738783612 /nfs/dbraw/zinc/78/36/12/738783612.db2.gz BNBLFRWYZOGKRU-VGWMRTNUSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccncc2F)C1 ZINC000973122573 738788443 /nfs/dbraw/zinc/78/84/43/738788443.db2.gz PRYLCTCGYMPPQB-XEZPLFJOSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccncc2F)C1 ZINC000973122573 738788449 /nfs/dbraw/zinc/78/84/49/738788449.db2.gz PRYLCTCGYMPPQB-XEZPLFJOSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4cc(C)cnc34)[C@H]2C1 ZINC001083210245 734182462 /nfs/dbraw/zinc/18/24/62/734182462.db2.gz RDLJXFZQUCEEHC-JKSUJKDBSA-N 1 1 339.399 0.586 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CNc3ccc(C#N)nc3)CC2)C1 ZINC001067476899 734201501 /nfs/dbraw/zinc/20/15/01/734201501.db2.gz IBWUPOYKWVZMSX-AWEZNQCLSA-N 1 1 343.431 0.670 20 30 ECEDMO C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001167421958 734210481 /nfs/dbraw/zinc/21/04/81/734210481.db2.gz DEORLERCAAFULQ-AWEZNQCLSA-N 1 1 347.463 0.767 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 ZINC001104323321 734303106 /nfs/dbraw/zinc/30/31/06/734303106.db2.gz OCDGWPCOCBTZFJ-ZDUSSCGKSA-N 1 1 332.408 0.011 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 ZINC001104323461 734304185 /nfs/dbraw/zinc/30/41/85/734304185.db2.gz QWUCXRQHBNWKGH-ZDUSSCGKSA-N 1 1 332.408 0.011 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cc(C)nn3C)C2)C1=O ZINC000971163388 734329986 /nfs/dbraw/zinc/32/99/86/734329986.db2.gz VNKJINFGFXCNGP-CABCVRRESA-N 1 1 345.447 0.662 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2ncc(C#N)cc2F)CCO1 ZINC001104329088 734349728 /nfs/dbraw/zinc/34/97/28/734349728.db2.gz VDZFLXZXMWMNKO-AWEZNQCLSA-N 1 1 349.410 0.756 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C)n3)C2)C1=O ZINC000971214143 734364835 /nfs/dbraw/zinc/36/48/35/734364835.db2.gz PMQVKFNYLHXDMP-DZGCQCFKSA-N 1 1 331.420 0.651 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)n3ccsc3n2)C1 ZINC000971221820 734367275 /nfs/dbraw/zinc/36/72/75/734367275.db2.gz REMKOVNRUGNWFB-DGCLKSJQSA-N 1 1 345.428 0.948 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3ccsc3n2)C1 ZINC000971221820 734367277 /nfs/dbraw/zinc/36/72/77/734367277.db2.gz REMKOVNRUGNWFB-DGCLKSJQSA-N 1 1 345.428 0.948 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCS(N)(=O)=O)C1 ZINC001211508949 734367642 /nfs/dbraw/zinc/36/76/42/734367642.db2.gz QXOBXKCVFSTPQM-ZIAGYGMSSA-N 1 1 331.482 0.848 20 30 ECEDMO Cc1cc(NCCN(CCO)C(=O)C[C@@H]2CC[N@H+](C)C2)c(C#N)cn1 ZINC001111489248 734407239 /nfs/dbraw/zinc/40/72/39/734407239.db2.gz PMTPGKZQEOXLQZ-HNNXBMFYSA-N 1 1 345.447 0.258 20 30 ECEDMO C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025212812 738813632 /nfs/dbraw/zinc/81/36/32/738813632.db2.gz ZYIVOVJOYGBDCX-CABCVRRESA-N 1 1 326.462 0.900 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025212812 738813636 /nfs/dbraw/zinc/81/36/36/738813636.db2.gz ZYIVOVJOYGBDCX-CABCVRRESA-N 1 1 326.462 0.900 20 30 ECEDMO C=CCC[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CNC(=O)OC)C1 ZINC001149257057 734445940 /nfs/dbraw/zinc/44/59/40/734445940.db2.gz WPCRHYJRYXREMD-UONOGXRCSA-N 1 1 327.425 0.904 20 30 ECEDMO C[N@@H+](C[C@@H]1CCc2ncnn21)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363658 734475635 /nfs/dbraw/zinc/47/56/35/734475635.db2.gz BBTZFAADRSDMKS-KGLIPLIRSA-N 1 1 339.403 0.812 20 30 ECEDMO C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363882 734476120 /nfs/dbraw/zinc/47/61/20/734476120.db2.gz KHENGMFTEIAPMQ-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO CN1CCC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000971363693 734476136 /nfs/dbraw/zinc/47/61/36/734476136.db2.gz CHOFHSVKCGFXTR-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cncnc3)C2)C1=O ZINC000971394219 734506772 /nfs/dbraw/zinc/50/67/72/734506772.db2.gz NQKMRMPUKARDTB-GJZGRUSLSA-N 1 1 329.404 0.410 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3ccnn3C)C2)C1=O ZINC000971430261 734574684 /nfs/dbraw/zinc/57/46/84/734574684.db2.gz UKGLONASFGUBOS-CVEARBPZSA-N 1 1 345.447 0.282 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451593 734609523 /nfs/dbraw/zinc/60/95/23/734609523.db2.gz LTBRQKVDSQUTPK-DZGCQCFKSA-N 1 1 346.362 0.838 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CN=NC1=O ZINC001025224565 738835265 /nfs/dbraw/zinc/83/52/65/738835265.db2.gz RJIUOPWUYCBGIB-LSDHHAIUSA-N 1 1 331.420 0.853 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC001083221563 734820143 /nfs/dbraw/zinc/82/01/43/734820143.db2.gz IFWWRBKKBLOWCB-FGTMMUONSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC001083221564 734820259 /nfs/dbraw/zinc/82/02/59/734820259.db2.gz IFWWRBKKBLOWCB-OKZBNKHCSA-N 1 1 347.459 0.712 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC000971632738 734842833 /nfs/dbraw/zinc/84/28/33/734842833.db2.gz INKMXJBAKHABBM-NEPJUHHUSA-N 1 1 327.812 0.809 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC000971632738 734842835 /nfs/dbraw/zinc/84/28/35/734842835.db2.gz INKMXJBAKHABBM-NEPJUHHUSA-N 1 1 327.812 0.809 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cnc(C)o3)C2)C1=O ZINC000971670804 734936488 /nfs/dbraw/zinc/93/64/88/734936488.db2.gz LTTZRIDRSNSPRD-ZBFHGGJFSA-N 1 1 346.431 0.845 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000973181685 738873472 /nfs/dbraw/zinc/87/34/72/738873472.db2.gz YREISBZGISUXMM-ZRJCITRHSA-N 1 1 329.404 0.461 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)Nc2ccc(C#N)nc2)C1 ZINC001098215145 735219879 /nfs/dbraw/zinc/21/98/79/735219879.db2.gz HFSGMOBCFWELLG-XJKSGUPXSA-N 1 1 331.420 0.979 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972080753 735619545 /nfs/dbraw/zinc/61/95/45/735619545.db2.gz WCBRFPATLAKHRY-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972080753 735619549 /nfs/dbraw/zinc/61/95/49/735619549.db2.gz WCBRFPATLAKHRY-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CNC(=O)[C@@H](C)CC)CC1 ZINC001098563947 735662666 /nfs/dbraw/zinc/66/26/66/735662666.db2.gz FXNBKRLTXFFWFP-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC001098564170 735674028 /nfs/dbraw/zinc/67/40/28/735674028.db2.gz PLCWWZSQYZZQRW-UHFFFAOYSA-N 1 1 348.447 0.979 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CC[C@H](C)C3)[C@H]2C1 ZINC001083243924 735713338 /nfs/dbraw/zinc/71/33/38/735713338.db2.gz ANTCXAXSIOZEBG-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000972193764 735771375 /nfs/dbraw/zinc/77/13/75/735771375.db2.gz UWMXGXXDZONKEA-OAHLLOKOSA-N 1 1 337.383 0.988 20 30 ECEDMO CON=Cc1ccc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000588519366 735780162 /nfs/dbraw/zinc/78/01/62/735780162.db2.gz BDBLRNHJMXYEDC-INIZCTEOSA-N 1 1 344.415 0.703 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972221318 735806059 /nfs/dbraw/zinc/80/60/59/735806059.db2.gz AWBMLHZDFFMHJW-NSHDSACASA-N 1 1 332.429 0.918 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCNC3=O)C2)c1 ZINC000972285298 735890398 /nfs/dbraw/zinc/89/03/98/735890398.db2.gz QPJQWVVPZLTQGN-MRXNPFEDSA-N 1 1 341.415 0.234 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)N3CCCC3=O)[C@H]2C1 ZINC001083246560 735896020 /nfs/dbraw/zinc/89/60/20/735896020.db2.gz XSNRVOLATIGXEI-OWCLPIDISA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)[C@H]2C1 ZINC001083247118 735988243 /nfs/dbraw/zinc/98/82/43/735988243.db2.gz BHASBTNUJBCUKA-XOKHGSTOSA-N 1 1 345.447 0.787 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)[C@H]2C1 ZINC001083247118 735988245 /nfs/dbraw/zinc/98/82/45/735988245.db2.gz BHASBTNUJBCUKA-XOKHGSTOSA-N 1 1 345.447 0.787 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)[C@H]2C1 ZINC001083247118 735988246 /nfs/dbraw/zinc/98/82/46/735988246.db2.gz BHASBTNUJBCUKA-XOKHGSTOSA-N 1 1 345.447 0.787 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)[C@H]2C1 ZINC001083247118 735988248 /nfs/dbraw/zinc/98/82/48/735988248.db2.gz BHASBTNUJBCUKA-XOKHGSTOSA-N 1 1 345.447 0.787 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)[C@H]2C1 ZINC001083247118 735988249 /nfs/dbraw/zinc/98/82/49/735988249.db2.gz BHASBTNUJBCUKA-XOKHGSTOSA-N 1 1 345.447 0.787 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3ccc(C)n3)C2)C1=O ZINC000972361310 736015457 /nfs/dbraw/zinc/01/54/57/736015457.db2.gz DQFNUTGVNGEFLY-JKSUJKDBSA-N 1 1 345.447 0.511 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccnn3C)C2)C1 ZINC000972386238 736055849 /nfs/dbraw/zinc/05/58/49/736055849.db2.gz ALOKIYHWJBQOQG-QAPCUYQASA-N 1 1 330.432 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccnn3C)C2)C1 ZINC000972386238 736055853 /nfs/dbraw/zinc/05/58/53/736055853.db2.gz ALOKIYHWJBQOQG-QAPCUYQASA-N 1 1 330.432 0.850 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc4ccccc4n3)[C@H]2C1 ZINC001083250853 736086817 /nfs/dbraw/zinc/08/68/17/736086817.db2.gz NVDNTBMTWPGNJA-ZWKOTPCHSA-N 1 1 338.411 0.971 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001078219646 782511071 /nfs/dbraw/zinc/51/10/71/782511071.db2.gz IVHNEVUCQIQGGO-HZPDHXFCSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000972410761 736144134 /nfs/dbraw/zinc/14/41/34/736144134.db2.gz UODQQHOFQUZPOK-QAPCUYQASA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972411249 736148921 /nfs/dbraw/zinc/14/89/21/736148921.db2.gz ZVICGRFGGYFTCV-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3nccc3C)C2)C1=O ZINC000972444967 736214387 /nfs/dbraw/zinc/21/43/87/736214387.db2.gz HSEOIAIEBQEKIH-HOTGVXAUSA-N 1 1 345.447 0.511 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C ZINC001041970518 782516110 /nfs/dbraw/zinc/51/61/10/782516110.db2.gz NRZNOIGRTYEVEE-BXUZGUMPSA-N 1 1 325.376 0.494 20 30 ECEDMO C=CCOCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001098572575 736283653 /nfs/dbraw/zinc/28/36/53/736283653.db2.gz PHYYXHWHNDHDDL-MRXNPFEDSA-N 1 1 326.437 0.653 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)ccc3=O)[C@H]2C1 ZINC001083255034 736308201 /nfs/dbraw/zinc/30/82/01/736308201.db2.gz ZXKHGBQUUOJDQX-LSDHHAIUSA-N 1 1 332.404 0.039 20 30 ECEDMO N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3nnc[nH]3)C2)cc1 ZINC001022953058 736309313 /nfs/dbraw/zinc/30/93/13/736309313.db2.gz FLUZTJKQSLFODQ-OKILXGFUSA-N 1 1 340.387 0.687 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 ZINC000972493135 736385989 /nfs/dbraw/zinc/38/59/89/736385989.db2.gz VWQPQCMFBYKQID-QAPCUYQASA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 ZINC000972493135 736385992 /nfs/dbraw/zinc/38/59/92/736385992.db2.gz VWQPQCMFBYKQID-QAPCUYQASA-N 1 1 333.432 0.324 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cnn(C)c3)C2)nn1 ZINC000972502857 736433798 /nfs/dbraw/zinc/43/37/98/736433798.db2.gz YVWWVHIISXHYOD-CQSZACIVSA-N 1 1 329.408 0.544 20 30 ECEDMO C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972516527 736525125 /nfs/dbraw/zinc/52/51/25/736525125.db2.gz AGLSOSAJIXLKBX-SJLPKXTDSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972516527 736525128 /nfs/dbraw/zinc/52/51/28/736525128.db2.gz AGLSOSAJIXLKBX-SJLPKXTDSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001039575997 736578453 /nfs/dbraw/zinc/57/84/53/736578453.db2.gz JOVRESCPDASGMH-MAUKXSAKSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001039580453 736597041 /nfs/dbraw/zinc/59/70/41/736597041.db2.gz VAKDYRVEBFPXJD-CRAIPNDOSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001023255019 736624895 /nfs/dbraw/zinc/62/48/95/736624895.db2.gz NGZLEMUNZOTMCO-HOCLYGCPSA-N 1 1 345.447 0.947 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001023296114 736655772 /nfs/dbraw/zinc/65/57/72/736655772.db2.gz OZFKAJIVUJOBRW-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001023297134 736660087 /nfs/dbraw/zinc/66/00/87/736660087.db2.gz IDJNPAXFOIXRKA-AWEZNQCLSA-N 1 1 343.431 0.951 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cn(C)cn3)C2)C1=O ZINC001023309821 736667414 /nfs/dbraw/zinc/66/74/14/736667414.db2.gz CXTJIZSZERXUQR-HOCLYGCPSA-N 1 1 345.447 0.649 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)[nH]1 ZINC001023318755 736678822 /nfs/dbraw/zinc/67/88/22/736678822.db2.gz MMJWPMBAHSKNRV-GFCCVEGCSA-N 1 1 329.404 0.607 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001023319998 736680551 /nfs/dbraw/zinc/68/05/51/736680551.db2.gz MWSCUFWQDSEQMS-RISCZKNCSA-N 1 1 343.387 0.133 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)C1 ZINC000972551502 736699246 /nfs/dbraw/zinc/69/92/46/736699246.db2.gz BGAPOUPZSHNMTM-GOSISDBHSA-N 1 1 345.447 0.973 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)C1 ZINC000972551502 736699248 /nfs/dbraw/zinc/69/92/48/736699248.db2.gz BGAPOUPZSHNMTM-GOSISDBHSA-N 1 1 345.447 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nncs2)C1 ZINC001023421857 736809542 /nfs/dbraw/zinc/80/95/42/736809542.db2.gz IYVKUAQEWKONIY-GJZGRUSLSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nncs2)C1 ZINC001023421857 736809544 /nfs/dbraw/zinc/80/95/44/736809544.db2.gz IYVKUAQEWKONIY-GJZGRUSLSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001023465310 736871743 /nfs/dbraw/zinc/87/17/43/736871743.db2.gz QTCSJDRTFDUKEG-NSHDSACASA-N 1 1 325.390 0.002 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001023475769 736885467 /nfs/dbraw/zinc/88/54/67/736885467.db2.gz CRRNTSXGUAFDCQ-HNNXBMFYSA-N 1 1 348.447 0.908 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC([N@@H+](CCO)C[C@H]2CCOC2)CC1 ZINC001098577258 736889221 /nfs/dbraw/zinc/88/92/21/736889221.db2.gz GPOZTRKTRHFNFC-HZPDHXFCSA-N 1 1 340.464 0.899 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001023495217 736916977 /nfs/dbraw/zinc/91/69/77/736916977.db2.gz WXISCMCYBMUAAE-CYBMUJFWSA-N 1 1 326.404 0.828 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)COC3CCOCC3)C2)C1 ZINC000972584041 736954623 /nfs/dbraw/zinc/95/46/23/736954623.db2.gz YTOSDXPVSHOWJI-GOSISDBHSA-N 1 1 336.432 0.509 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)COC3CCOCC3)C2)C1 ZINC000972584041 736954628 /nfs/dbraw/zinc/95/46/28/736954628.db2.gz YTOSDXPVSHOWJI-GOSISDBHSA-N 1 1 336.432 0.509 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+]([C@@H](C)COC)CCO3)nn1 ZINC000972585384 736970000 /nfs/dbraw/zinc/97/00/00/736970000.db2.gz LVTRDLQUAOQAQV-WMLDXEAASA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+]([C@@H](C)COC)CCO3)nn1 ZINC000972585384 736970006 /nfs/dbraw/zinc/97/00/06/736970006.db2.gz LVTRDLQUAOQAQV-WMLDXEAASA-N 1 1 349.435 0.416 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001023543781 736987764 /nfs/dbraw/zinc/98/77/64/736987764.db2.gz QOGFACNWKZRBJR-LLVKDONJSA-N 1 1 345.432 0.785 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)c1 ZINC001023583463 737040205 /nfs/dbraw/zinc/04/02/05/737040205.db2.gz IDJSXBSVQIXIBJ-HIFRSBDPSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001023588923 737041420 /nfs/dbraw/zinc/04/14/20/737041420.db2.gz NZSZZGXARMFTKL-IXDOHACOSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccn(CC)n2)C1=O ZINC001028179469 751381577 /nfs/dbraw/zinc/38/15/77/751381577.db2.gz FLIPITOMCJBGQA-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccn(CC)n2)C1=O ZINC001028179469 751381583 /nfs/dbraw/zinc/38/15/83/751381583.db2.gz FLIPITOMCJBGQA-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccn(CC)n2)C1=O ZINC001028179468 751381643 /nfs/dbraw/zinc/38/16/43/751381643.db2.gz FLIPITOMCJBGQA-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccn(CC)n2)C1=O ZINC001028179468 751381648 /nfs/dbraw/zinc/38/16/48/751381648.db2.gz FLIPITOMCJBGQA-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C(C)C)nn3)C2)C1 ZINC000972617634 737108728 /nfs/dbraw/zinc/10/87/28/737108728.db2.gz RLISLNLFDGTCRK-QGZVFWFLSA-N 1 1 331.420 0.799 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C(C)C)nn3)C2)C1 ZINC000972617634 737108730 /nfs/dbraw/zinc/10/87/30/737108730.db2.gz RLISLNLFDGTCRK-QGZVFWFLSA-N 1 1 331.420 0.799 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](CCn3cccn3)C2)nn1 ZINC001023637373 737123687 /nfs/dbraw/zinc/12/36/87/737123687.db2.gz JVRRPEORONDMOZ-OAHLLOKOSA-N 1 1 343.435 0.803 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972629853 737161248 /nfs/dbraw/zinc/16/12/48/737161248.db2.gz DOHPOEXKKDTMET-CRAIPNDOSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972629853 737161252 /nfs/dbraw/zinc/16/12/52/737161252.db2.gz DOHPOEXKKDTMET-CRAIPNDOSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CSCCC)C1 ZINC001149264550 737163433 /nfs/dbraw/zinc/16/34/33/737163433.db2.gz UFUDZLWRXZGVBW-AWEZNQCLSA-N 1 1 343.493 0.639 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CSCCC)C1 ZINC001149264550 737163434 /nfs/dbraw/zinc/16/34/34/737163434.db2.gz UFUDZLWRXZGVBW-AWEZNQCLSA-N 1 1 343.493 0.639 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000972633287 737172773 /nfs/dbraw/zinc/17/27/73/737172773.db2.gz BCPCYCKXJYXYBO-QAPCUYQASA-N 1 1 348.447 0.246 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000972633287 737172774 /nfs/dbraw/zinc/17/27/74/737172774.db2.gz BCPCYCKXJYXYBO-QAPCUYQASA-N 1 1 348.447 0.246 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)C1 ZINC000972639876 737200088 /nfs/dbraw/zinc/20/00/88/737200088.db2.gz CEMOEPATLBCYIX-QGZVFWFLSA-N 1 1 333.388 0.899 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)C1 ZINC000972639876 737200093 /nfs/dbraw/zinc/20/00/93/737200093.db2.gz CEMOEPATLBCYIX-QGZVFWFLSA-N 1 1 333.388 0.899 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001023707913 737225857 /nfs/dbraw/zinc/22/58/57/737225857.db2.gz ZVZQPVUDBFFCQF-KGLIPLIRSA-N 1 1 344.415 0.409 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655216 737260271 /nfs/dbraw/zinc/26/02/71/737260271.db2.gz FXSCRUACHCGNDH-SJLPKXTDSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655216 737260272 /nfs/dbraw/zinc/26/02/72/737260272.db2.gz FXSCRUACHCGNDH-SJLPKXTDSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)C1 ZINC000972674360 737345103 /nfs/dbraw/zinc/34/51/03/737345103.db2.gz OABBFFKDCCTTRX-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)C1 ZINC000972674360 737345108 /nfs/dbraw/zinc/34/51/08/737345108.db2.gz OABBFFKDCCTTRX-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2c(OC)ncnc2OC)C1 ZINC001023776245 737357088 /nfs/dbraw/zinc/35/70/88/737357088.db2.gz UCORUAHRMPXDMS-CYBMUJFWSA-N 1 1 332.404 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)cs3)C2)C1 ZINC000972694151 737404235 /nfs/dbraw/zinc/40/42/35/737404235.db2.gz MZNMGRWBQNBQJV-KRWDZBQOSA-N 1 1 347.440 0.787 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)cs3)C2)C1 ZINC000972694151 737404238 /nfs/dbraw/zinc/40/42/38/737404238.db2.gz MZNMGRWBQNBQJV-KRWDZBQOSA-N 1 1 347.440 0.787 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC000972700579 737455576 /nfs/dbraw/zinc/45/55/76/737455576.db2.gz ZLFOTKHLDAZZPG-YOEHRIQHSA-N 1 1 336.436 0.409 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001023907400 737473905 /nfs/dbraw/zinc/47/39/05/737473905.db2.gz VANPNNOTOUJXFS-HOCLYGCPSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069993603 790288037 /nfs/dbraw/zinc/28/80/37/790288037.db2.gz GIKSOGNAJKIGSM-CABCVRRESA-N 1 1 329.408 0.795 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069993603 790288043 /nfs/dbraw/zinc/28/80/43/790288043.db2.gz GIKSOGNAJKIGSM-CABCVRRESA-N 1 1 329.408 0.795 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCN(CC)C3=O)C2)cn1 ZINC000972754934 737595503 /nfs/dbraw/zinc/59/55/03/737595503.db2.gz AAPQAKOCYJFTPQ-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2nn(CC)nc2C)CC1 ZINC001098584289 737711945 /nfs/dbraw/zinc/71/19/45/737711945.db2.gz SDIBWJFSEYDBMK-UHFFFAOYSA-N 1 1 333.436 0.529 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnn(C)c2C2CC2)CC1 ZINC001098584315 737714610 /nfs/dbraw/zinc/71/46/10/737714610.db2.gz SSQHSMSEVIUZDD-UHFFFAOYSA-N 1 1 330.432 0.830 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)Cn3cccn3)C(C)(C)C2)C1=O ZINC000972814389 737725182 /nfs/dbraw/zinc/72/51/82/737725182.db2.gz ULLGLZNPXDJABM-CABCVRRESA-N 1 1 345.447 0.497 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)Cn3cccn3)C(C)(C)C2)C1=O ZINC000972814389 737725184 /nfs/dbraw/zinc/72/51/84/737725184.db2.gz ULLGLZNPXDJABM-CABCVRRESA-N 1 1 345.447 0.497 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cnsn3)C(C)(C)C2)C1=O ZINC000972832435 737763636 /nfs/dbraw/zinc/76/36/36/737763636.db2.gz HOLPSJAHRILISJ-QWHCGFSZSA-N 1 1 349.460 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cnsn3)C(C)(C)C2)C1=O ZINC000972832435 737763639 /nfs/dbraw/zinc/76/36/39/737763639.db2.gz HOLPSJAHRILISJ-QWHCGFSZSA-N 1 1 349.460 0.765 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)C1 ZINC001024150489 737767402 /nfs/dbraw/zinc/76/74/02/737767402.db2.gz SSANXMHZXGYADP-GVDBMIGSSA-N 1 1 347.459 0.066 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ncn(C)n2)C1=O ZINC001024426111 737960176 /nfs/dbraw/zinc/96/01/76/737960176.db2.gz UJISPBGWRNOOMU-UONOGXRCSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ncn(C)n2)C1=O ZINC001024426111 737960179 /nfs/dbraw/zinc/96/01/79/737960179.db2.gz UJISPBGWRNOOMU-UONOGXRCSA-N 1 1 346.435 0.186 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCC1 ZINC001024486628 738014148 /nfs/dbraw/zinc/01/41/48/738014148.db2.gz DINHSBWYCXDNRR-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC1 ZINC001024486628 738014150 /nfs/dbraw/zinc/01/41/50/738014150.db2.gz DINHSBWYCXDNRR-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC(=O)N1CCC1 ZINC001024486628 738014153 /nfs/dbraw/zinc/01/41/53/738014153.db2.gz DINHSBWYCXDNRR-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC(=O)N1CCC1 ZINC001024486628 738014156 /nfs/dbraw/zinc/01/41/56/738014156.db2.gz DINHSBWYCXDNRR-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC2(CC[NH+](CC(N)=O)CC2)O1 ZINC001098587526 738092894 /nfs/dbraw/zinc/09/28/94/738092894.db2.gz YKWVELIMPOYUSW-GFCCVEGCSA-N 1 1 345.403 0.067 20 30 ECEDMO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC2(CC[NH+](CC(N)=O)CC2)O1 ZINC001098587527 738092918 /nfs/dbraw/zinc/09/29/18/738092918.db2.gz YKWVELIMPOYUSW-LBPRGKRZSA-N 1 1 345.403 0.067 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001024575438 738122627 /nfs/dbraw/zinc/12/26/27/738122627.db2.gz JUQQOUYTZFHSMX-AWEZNQCLSA-N 1 1 341.415 0.939 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCNC(=O)C1 ZINC001087298524 738158412 /nfs/dbraw/zinc/15/84/12/738158412.db2.gz GSWJKXLVBVERDL-FHLIZLRMSA-N 1 1 348.491 0.600 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)n1 ZINC001024607807 738161732 /nfs/dbraw/zinc/16/17/32/738161732.db2.gz KDYNYYNMXLXPEV-HNNXBMFYSA-N 1 1 339.403 0.866 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)n1 ZINC001024607807 738161733 /nfs/dbraw/zinc/16/17/33/738161733.db2.gz KDYNYYNMXLXPEV-HNNXBMFYSA-N 1 1 339.403 0.866 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H](C)CC)CCOCC1 ZINC001069998151 790294027 /nfs/dbraw/zinc/29/40/27/790294027.db2.gz IVJAOBUSGRBGQK-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H](C)CC)CCOCC1 ZINC001069998151 790294031 /nfs/dbraw/zinc/29/40/31/790294031.db2.gz IVJAOBUSGRBGQK-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ccnnc2)C1=O ZINC001024674085 738214522 /nfs/dbraw/zinc/21/45/22/738214522.db2.gz RCNHSRCQAMCYJI-HOTGVXAUSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ccnnc2)C1=O ZINC001024674085 738214525 /nfs/dbraw/zinc/21/45/25/738214525.db2.gz RCNHSRCQAMCYJI-HOTGVXAUSA-N 1 1 343.431 0.848 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@@H]21 ZINC001087308417 738228942 /nfs/dbraw/zinc/22/89/42/738228942.db2.gz PZTVASIAQQDRAU-DAXOMENPSA-N 1 1 348.447 0.720 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ncccn2)C1=O ZINC001024724585 738251622 /nfs/dbraw/zinc/25/16/22/738251622.db2.gz XOBXHYRTHSDJDN-LSDHHAIUSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ncccn2)C1=O ZINC001024724585 738251627 /nfs/dbraw/zinc/25/16/27/738251627.db2.gz XOBXHYRTHSDJDN-LSDHHAIUSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1nc(C)ccc1=O ZINC001087315055 738265399 /nfs/dbraw/zinc/26/53/99/738265399.db2.gz VTIQXIJEYWTBTO-FHLIZLRMSA-N 1 1 342.443 0.790 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CCC3=O)C(C)(C)[C@H]21 ZINC001087317532 738283965 /nfs/dbraw/zinc/28/39/65/738283965.db2.gz JMNGNZYYTSSUMD-XWIAVFTESA-N 1 1 345.443 0.764 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C(C)(C)[C@H]21 ZINC001087318017 738289380 /nfs/dbraw/zinc/28/93/80/738289380.db2.gz PTESZZCLBSBFOK-WQVCFCJDSA-N 1 1 348.447 0.672 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069999705 790295709 /nfs/dbraw/zinc/29/57/09/790295709.db2.gz QKEATHZDOUDHOQ-PWSUYJOCSA-N 1 1 334.405 0.672 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069999705 790295715 /nfs/dbraw/zinc/29/57/15/790295715.db2.gz QKEATHZDOUDHOQ-PWSUYJOCSA-N 1 1 334.405 0.672 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001024805362 738310587 /nfs/dbraw/zinc/31/05/87/738310587.db2.gz ABFJVTITYBIVJO-UONOGXRCSA-N 1 1 329.466 0.615 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001025247109 738921525 /nfs/dbraw/zinc/92/15/25/738921525.db2.gz IQXSSLDUQNGKGV-HUUCEWRRSA-N 1 1 346.431 0.980 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cn(C)c(=O)cn1 ZINC001025253640 738947398 /nfs/dbraw/zinc/94/73/98/738947398.db2.gz WQGUTVZRUIDCMH-HOTGVXAUSA-N 1 1 328.416 0.873 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025279659 739002220 /nfs/dbraw/zinc/00/22/20/739002220.db2.gz FYUMNOWDFRLFRV-GJZGRUSLSA-N 1 1 346.431 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1nccnc1C(N)=O ZINC001025296877 739018421 /nfs/dbraw/zinc/01/84/21/739018421.db2.gz LXIJBSCTUBXGJO-UONOGXRCSA-N 1 1 341.415 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC000973370312 739162888 /nfs/dbraw/zinc/16/28/88/739162888.db2.gz LVKITTWYFDMRIG-KKUMJFAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC000973370312 739162891 /nfs/dbraw/zinc/16/28/91/739162891.db2.gz LVKITTWYFDMRIG-KKUMJFAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCCN(C)C2=O)nn1 ZINC001028187183 751419056 /nfs/dbraw/zinc/41/90/56/751419056.db2.gz FBBCSZXKTIUVFO-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2coc(OC)n2)C1 ZINC000973410363 739223274 /nfs/dbraw/zinc/22/32/74/739223274.db2.gz HHADABQRMLRLCO-OBJOEFQTSA-N 1 1 346.387 0.158 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2coc(OC)n2)C1 ZINC000973410363 739223280 /nfs/dbraw/zinc/22/32/80/739223280.db2.gz HHADABQRMLRLCO-OBJOEFQTSA-N 1 1 346.387 0.158 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000981992783 751428049 /nfs/dbraw/zinc/42/80/49/751428049.db2.gz IIGBHCHNXVUTGC-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000981992783 751428053 /nfs/dbraw/zinc/42/80/53/751428053.db2.gz IIGBHCHNXVUTGC-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000987993246 751434395 /nfs/dbraw/zinc/43/43/95/751434395.db2.gz PJDYGIMHFDZZBO-ROUUACIJSA-N 1 1 341.455 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000987993246 751434396 /nfs/dbraw/zinc/43/43/96/751434396.db2.gz PJDYGIMHFDZZBO-ROUUACIJSA-N 1 1 341.455 0.804 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000987995233 751435654 /nfs/dbraw/zinc/43/56/54/751435654.db2.gz YTQLHGMQMZUUDF-IRXDYDNUSA-N 1 1 347.459 0.427 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000987995233 751435657 /nfs/dbraw/zinc/43/56/57/751435657.db2.gz YTQLHGMQMZUUDF-IRXDYDNUSA-N 1 1 347.459 0.427 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001025390088 739354151 /nfs/dbraw/zinc/35/41/51/739354151.db2.gz IGKCQYIRIRTALD-KGLIPLIRSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@@H+]([C@H]2CCNC2=O)C3)c1 ZINC000982002033 751443358 /nfs/dbraw/zinc/44/33/58/751443358.db2.gz ICMMEGZUTPIKQM-INIZCTEOSA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@H+]([C@H]2CCNC2=O)C3)c1 ZINC000982002033 751443362 /nfs/dbraw/zinc/44/33/62/751443362.db2.gz ICMMEGZUTPIKQM-INIZCTEOSA-N 1 1 338.411 0.489 20 30 ECEDMO C=C(Cl)CN1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001083281011 739448667 /nfs/dbraw/zinc/44/86/67/739448667.db2.gz QQUHVDJMGOAHRW-RRFJBIMHSA-N 1 1 343.855 0.371 20 30 ECEDMO C=C(Cl)CN1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001083281011 739448671 /nfs/dbraw/zinc/44/86/71/739448671.db2.gz QQUHVDJMGOAHRW-RRFJBIMHSA-N 1 1 343.855 0.371 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001112017996 739468027 /nfs/dbraw/zinc/46/80/27/739468027.db2.gz WTQXBZLTCRMWRQ-KEYYUXOJSA-N 1 1 334.420 0.188 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001112017996 739468029 /nfs/dbraw/zinc/46/80/29/739468029.db2.gz WTQXBZLTCRMWRQ-KEYYUXOJSA-N 1 1 334.420 0.188 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000973591841 739565331 /nfs/dbraw/zinc/56/53/31/739565331.db2.gz GGZOINPIPQBBGP-HMQMGEFJSA-N 1 1 345.443 0.369 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000973591841 739565335 /nfs/dbraw/zinc/56/53/35/739565335.db2.gz GGZOINPIPQBBGP-HMQMGEFJSA-N 1 1 345.443 0.369 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(=O)NC)C2)nn1 ZINC001025556432 739715474 /nfs/dbraw/zinc/71/54/74/739715474.db2.gz URXMFZGMQGESEQ-QWHCGFSZSA-N 1 1 334.424 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001025595388 739756619 /nfs/dbraw/zinc/75/66/19/739756619.db2.gz NLJLONUDEKHHRC-STQMWFEESA-N 1 1 327.388 0.898 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(=O)NC)C2)cn1 ZINC001025600463 739761787 /nfs/dbraw/zinc/76/17/87/739761787.db2.gz MNJGROCKXGOYNB-DZGCQCFKSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)cn1 ZINC001025598872 739764415 /nfs/dbraw/zinc/76/44/15/739764415.db2.gz CETHJIUSWSBAHK-GDBMZVCRSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025616627 739779727 /nfs/dbraw/zinc/77/97/27/739779727.db2.gz BJCOEKLUZYQCAN-OLZOCXBDSA-N 1 1 334.420 0.892 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CCC2)C[C@H]1C(F)(F)F ZINC001112032729 739943132 /nfs/dbraw/zinc/94/31/32/739943132.db2.gz XPELFGCXBIHATB-RAIGVLPGSA-N 1 1 345.365 0.903 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC000982028630 751495615 /nfs/dbraw/zinc/49/56/15/751495615.db2.gz HVHAVIFNKOVSGQ-UHFFFAOYSA-N 1 1 342.443 0.912 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)C1 ZINC001058663495 740037476 /nfs/dbraw/zinc/03/74/76/740037476.db2.gz UPDJEGJKPRVQRW-LSDHHAIUSA-N 1 1 338.452 0.205 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cn(CC3CC3)nn2)CC1 ZINC001098516132 751514194 /nfs/dbraw/zinc/51/41/94/751514194.db2.gz PRWCRXHKEGYWHM-UHFFFAOYSA-N 1 1 345.447 0.610 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001025937551 740266205 /nfs/dbraw/zinc/26/62/05/740266205.db2.gz OWSNKUAPSXDTTL-ALYAQQCSSA-N 1 1 338.411 0.616 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001025937551 740266207 /nfs/dbraw/zinc/26/62/07/740266207.db2.gz OWSNKUAPSXDTTL-ALYAQQCSSA-N 1 1 338.411 0.616 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000982042626 751527446 /nfs/dbraw/zinc/52/74/46/751527446.db2.gz PKFRADZGYKMSAE-ZDUSSCGKSA-N 1 1 334.420 0.475 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)CCOCC(C)C)C1 ZINC001149273397 740340474 /nfs/dbraw/zinc/34/04/74/740340474.db2.gz WELVHKUYYYLLEC-QGZVFWFLSA-N 1 1 340.464 0.906 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@H](CNC(=O)CCOCC(C)C)C1 ZINC001149273397 740340475 /nfs/dbraw/zinc/34/04/75/740340475.db2.gz WELVHKUYYYLLEC-QGZVFWFLSA-N 1 1 340.464 0.906 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026101953 740377538 /nfs/dbraw/zinc/37/75/38/740377538.db2.gz ZSIDOLKUNFJCIU-KLOLGFOXSA-N 1 1 333.432 0.293 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)NC)C2 ZINC000982063962 751544518 /nfs/dbraw/zinc/54/45/18/751544518.db2.gz DVLJDVFPQCCXJX-HOCLYGCPSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=O)NC)C2 ZINC000982063962 751544525 /nfs/dbraw/zinc/54/45/25/751544525.db2.gz DVLJDVFPQCCXJX-HOCLYGCPSA-N 1 1 335.448 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C)n2C)C1 ZINC000973876398 740529753 /nfs/dbraw/zinc/52/97/53/740529753.db2.gz KEDZMRDYFCDQKL-UXLLHSPISA-N 1 1 342.443 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C)n2C)C1 ZINC000973876398 740529756 /nfs/dbraw/zinc/52/97/56/740529756.db2.gz KEDZMRDYFCDQKL-UXLLHSPISA-N 1 1 342.443 0.808 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]23)n1 ZINC001026229115 740533468 /nfs/dbraw/zinc/53/34/68/740533468.db2.gz HGNAFLQEIAFSNN-FRRDWIJNSA-N 1 1 340.391 0.050 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC000982071834 751561320 /nfs/dbraw/zinc/56/13/20/751561320.db2.gz QXNDVIOPGVCWTB-UHFFFAOYSA-N 1 1 346.431 0.427 20 30 ECEDMO Cc1nc(N(C)CCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001112055893 740673184 /nfs/dbraw/zinc/67/31/84/740673184.db2.gz XVLQDSOSGGVHHX-INIZCTEOSA-N 1 1 345.447 0.877 20 30 ECEDMO Cc1nc(N(C)CCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001112055893 740673187 /nfs/dbraw/zinc/67/31/87/740673187.db2.gz XVLQDSOSGGVHHX-INIZCTEOSA-N 1 1 345.447 0.877 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC000982080380 751573774 /nfs/dbraw/zinc/57/37/74/751573774.db2.gz HBMAJQYBJYGRTN-UHFFFAOYSA-N 1 1 344.415 0.686 20 30 ECEDMO C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104869069 740767061 /nfs/dbraw/zinc/76/70/61/740767061.db2.gz OTOJYLWZILMPOH-YRGRVCCFSA-N 1 1 332.408 0.326 20 30 ECEDMO C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104869069 740767062 /nfs/dbraw/zinc/76/70/62/740767062.db2.gz OTOJYLWZILMPOH-YRGRVCCFSA-N 1 1 332.408 0.326 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974045814 740835528 /nfs/dbraw/zinc/83/55/28/740835528.db2.gz UGFMSNPIANGWPU-VNHYZAJKSA-N 1 1 329.404 0.748 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000974048621 740846171 /nfs/dbraw/zinc/84/61/71/740846171.db2.gz JUEXJWQAVZMNCJ-OKILXGFUSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnco2)[C@H]1C ZINC001020425380 751585643 /nfs/dbraw/zinc/58/56/43/751585643.db2.gz DJMWQDWQEPTHOY-IHRRRGAJSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnco2)[C@H]1C ZINC001020425380 751585649 /nfs/dbraw/zinc/58/56/49/751585649.db2.gz DJMWQDWQEPTHOY-IHRRRGAJSA-N 1 1 330.388 0.491 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCn3cncn3)C2)nn1 ZINC001098611215 740884000 /nfs/dbraw/zinc/88/40/00/740884000.db2.gz AEBKAKGECLJMPP-CQSZACIVSA-N 1 1 330.396 0.009 20 30 ECEDMO CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001104914699 740914850 /nfs/dbraw/zinc/91/48/50/740914850.db2.gz CCERAHFHNYUERG-KGLIPLIRSA-N 1 1 330.436 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nccc(C)n1 ZINC001038365719 741011138 /nfs/dbraw/zinc/01/11/38/741011138.db2.gz CECWTQAYLFDHKS-CVEARBPZSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nccc(C)n1 ZINC001038365719 741011146 /nfs/dbraw/zinc/01/11/46/741011146.db2.gz CECWTQAYLFDHKS-CVEARBPZSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000982110257 751602567 /nfs/dbraw/zinc/60/25/67/751602567.db2.gz KIQSWCMQZSUFLS-HNNXBMFYSA-N 1 1 332.448 0.867 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC000982113693 751607533 /nfs/dbraw/zinc/60/75/33/751607533.db2.gz QXSPKIYKBQJBBW-UHFFFAOYSA-N 1 1 339.399 0.996 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(C(=O)NC)nc3)C2)C1 ZINC000982120922 751614575 /nfs/dbraw/zinc/61/45/75/751614575.db2.gz IRUCKSOTKWAZGV-UHFFFAOYSA-N 1 1 326.400 0.612 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]nc2CC)C1 ZINC000974263355 741193338 /nfs/dbraw/zinc/19/33/38/741193338.db2.gz RMAKRXHCXHFHNJ-ZENOOKHLSA-N 1 1 343.431 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]nc2CC)C1 ZINC000974263355 741193343 /nfs/dbraw/zinc/19/33/43/741193343.db2.gz RMAKRXHCXHFHNJ-ZENOOKHLSA-N 1 1 343.431 0.447 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)[C@@H](C)C1 ZINC001105048169 741241620 /nfs/dbraw/zinc/24/16/20/741241620.db2.gz SFPRLFDNOWEADF-UONOGXRCSA-N 1 1 330.436 0.761 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001006653830 751626975 /nfs/dbraw/zinc/62/69/75/751626975.db2.gz SIIACZKNWNVMDY-KBPBESRZSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001006653830 751626983 /nfs/dbraw/zinc/62/69/83/751626983.db2.gz SIIACZKNWNVMDY-KBPBESRZSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)nn1 ZINC001105204886 741470382 /nfs/dbraw/zinc/47/03/82/741470382.db2.gz IMELHYQPGDCHHY-FVQHAEBGSA-N 1 1 345.447 1.000 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240589 741533934 /nfs/dbraw/zinc/53/39/34/741533934.db2.gz SSJGAZWYPLEHBD-MRXNPFEDSA-N 1 1 330.436 0.257 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccncn3)C2)nn1 ZINC001105252313 741561270 /nfs/dbraw/zinc/56/12/70/741561270.db2.gz JZAJCEFRRWZFGA-UHFFFAOYSA-N 1 1 327.392 0.360 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)nn1 ZINC001105253803 741567455 /nfs/dbraw/zinc/56/74/55/741567455.db2.gz FDAFOFMUFGSDQU-ZDUSSCGKSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)nn1 ZINC001105256702 741571667 /nfs/dbraw/zinc/57/16/67/741571667.db2.gz NWLXSAUJDBKYKR-KRWDZBQOSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256702 741571670 /nfs/dbraw/zinc/57/16/70/741571670.db2.gz NWLXSAUJDBKYKR-KRWDZBQOSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001105259872 741586719 /nfs/dbraw/zinc/58/67/19/741586719.db2.gz QCPSRJKVYYYUHP-UHFFFAOYSA-N 1 1 330.436 0.259 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3snnc3C3CC3)C2)nn1 ZINC001105262053 741587608 /nfs/dbraw/zinc/58/76/08/741587608.db2.gz CNADNLKRANJDTN-UHFFFAOYSA-N 1 1 345.432 0.980 20 30 ECEDMO C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)nn1 ZINC001105265077 741603666 /nfs/dbraw/zinc/60/36/66/741603666.db2.gz XDIUEXPCMZBICX-HUUCEWRRSA-N 1 1 341.419 0.854 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268509 741610788 /nfs/dbraw/zinc/61/07/88/741610788.db2.gz QHURMIWIBDPUCR-RDJZCZTQSA-N 1 1 344.463 0.954 20 30 ECEDMO C#CCCCCC(=O)NCC[NH2+]Cc1nnnn1CC1CCOCC1 ZINC001125938690 741678590 /nfs/dbraw/zinc/67/85/90/741678590.db2.gz GTPSYVSTNRFXQR-UHFFFAOYSA-N 1 1 348.451 0.499 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1ccnc(C#N)n1 ZINC001105302619 741695907 /nfs/dbraw/zinc/69/59/07/741695907.db2.gz PSOXKDMPYUKYIK-MGPQQGTHSA-N 1 1 346.435 0.042 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1ccnc(C#N)n1 ZINC001105302619 741695908 /nfs/dbraw/zinc/69/59/08/741695908.db2.gz PSOXKDMPYUKYIK-MGPQQGTHSA-N 1 1 346.435 0.042 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3csc(=O)[nH]3)C2)nn1 ZINC001105310308 741715535 /nfs/dbraw/zinc/71/55/35/741715535.db2.gz XBPYEEBDVPWGQW-UHFFFAOYSA-N 1 1 334.405 0.803 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)nn1 ZINC001105309770 741718374 /nfs/dbraw/zinc/71/83/74/741718374.db2.gz BXUKRLIYRLSWBT-KRWDZBQOSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C3(CF)CC3)C2)nn1 ZINC001105325264 741799382 /nfs/dbraw/zinc/79/93/82/741799382.db2.gz IFCWMKYNPMWYMD-UHFFFAOYSA-N 1 1 337.399 0.703 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)C3=CCOCC3)C(C)(C)C2)C1=O ZINC000974498917 741811199 /nfs/dbraw/zinc/81/11/99/741811199.db2.gz FVAKQQUKMWHCRL-HOTGVXAUSA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)C3=CCOCC3)C(C)(C)C2)C1=O ZINC000974498917 741811200 /nfs/dbraw/zinc/81/12/00/741811200.db2.gz FVAKQQUKMWHCRL-HOTGVXAUSA-N 1 1 347.459 0.947 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3nccn4ccnc34)C2)nn1 ZINC001105330245 741835206 /nfs/dbraw/zinc/83/52/06/741835206.db2.gz XDKOEHQLRMZEIZ-UHFFFAOYSA-N 1 1 338.375 0.294 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)nn3CC)C2)nn1 ZINC001105334135 741994184 /nfs/dbraw/zinc/99/41/84/741994184.db2.gz XEQAXIJGCYTESM-UHFFFAOYSA-N 1 1 329.408 0.776 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC001026879887 742016747 /nfs/dbraw/zinc/01/67/47/742016747.db2.gz DIDKRRRLVWKHKD-ZBFHGGJFSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2nc3ncc(C)cn3n2)C(C)(C)C1 ZINC000974714003 742080755 /nfs/dbraw/zinc/08/07/55/742080755.db2.gz CQRASJXVIZXFFO-ZDUSSCGKSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C(C)(C)C1 ZINC000974769946 742161332 /nfs/dbraw/zinc/16/13/32/742161332.db2.gz CCOYFIDEYLPYGB-INIZCTEOSA-N 1 1 345.443 0.958 20 30 ECEDMO C=CCN1CC[C@H](N2C[C@@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000974780574 742180951 /nfs/dbraw/zinc/18/09/51/742180951.db2.gz BXHDHQGTISKKKE-QWHCGFSZSA-N 1 1 332.408 0.032 20 30 ECEDMO C=CCN1CC[C@@H](N2C[C@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000974780565 742181185 /nfs/dbraw/zinc/18/11/85/742181185.db2.gz BXHDHQGTISKKKE-OLZOCXBDSA-N 1 1 332.408 0.032 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000974868301 742274304 /nfs/dbraw/zinc/27/43/04/742274304.db2.gz GGXOAFDKONMLAL-UONOGXRCSA-N 1 1 343.418 0.802 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000974878889 742279611 /nfs/dbraw/zinc/27/96/11/742279611.db2.gz MCDJFHHXCHXJAM-UONOGXRCSA-N 1 1 329.404 0.215 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C(C)(C)C1 ZINC000974889797 742309088 /nfs/dbraw/zinc/30/90/88/742309088.db2.gz ZDMQMLWGYYMPJX-XHSDSOJGSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C(C)(C)C1 ZINC000974990305 742438288 /nfs/dbraw/zinc/43/82/88/742438288.db2.gz YXQKWEDGTIRXNJ-CZUORRHYSA-N 1 1 329.448 0.770 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C(C)(C)C1 ZINC000975022420 742441572 /nfs/dbraw/zinc/44/15/72/742441572.db2.gz UPZWTODKFAUYAK-NSHDSACASA-N 1 1 341.437 0.073 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105337173 742441872 /nfs/dbraw/zinc/44/18/72/742441872.db2.gz USYVHLGAULDORE-MRXNPFEDSA-N 1 1 345.451 0.537 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3n[nH]cc3F)C(C)(C)C2)C1=O ZINC000975013293 742446995 /nfs/dbraw/zinc/44/69/95/742446995.db2.gz GNWNBNJDMAKCBZ-QWHCGFSZSA-N 1 1 349.410 0.776 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3n[nH]cc3F)C(C)(C)C2)C1=O ZINC000975013293 742446996 /nfs/dbraw/zinc/44/69/96/742446996.db2.gz GNWNBNJDMAKCBZ-QWHCGFSZSA-N 1 1 349.410 0.776 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@]2(C)C1 ZINC000982233159 751738220 /nfs/dbraw/zinc/73/82/20/751738220.db2.gz JQYVCJMHTPLGBV-HLNSBACISA-N 1 1 332.448 0.984 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975168796 742558724 /nfs/dbraw/zinc/55/87/24/742558724.db2.gz BKRHXRHPVPZAIK-HZPDHXFCSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975168796 742558728 /nfs/dbraw/zinc/55/87/28/742558728.db2.gz BKRHXRHPVPZAIK-HZPDHXFCSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000975308194 742709025 /nfs/dbraw/zinc/70/90/25/742709025.db2.gz LDQATRURCHOFIR-ULQDDVLXSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000975308194 742709027 /nfs/dbraw/zinc/70/90/27/742709027.db2.gz LDQATRURCHOFIR-ULQDDVLXSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCN1CC[NH+](C2CCC(NC(=O)Cc3n[nH]c(C)n3)CC2)CC1 ZINC000996774371 742841662 /nfs/dbraw/zinc/84/16/62/742841662.db2.gz VQMLKCUKLOMDNX-UHFFFAOYSA-N 1 1 344.463 0.334 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnnn3CC)C2)cn1 ZINC001028940839 742937842 /nfs/dbraw/zinc/93/78/42/742937842.db2.gz QITAZFFSPOKMIY-AWEZNQCLSA-N 1 1 338.415 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnnn3CC)C2)cn1 ZINC001028940839 742937845 /nfs/dbraw/zinc/93/78/45/742937845.db2.gz QITAZFFSPOKMIY-AWEZNQCLSA-N 1 1 338.415 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001027191270 743078999 /nfs/dbraw/zinc/07/89/99/743078999.db2.gz JRLPRCPSVAKDEU-AWEZNQCLSA-N 1 1 338.415 0.372 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000997235405 743384115 /nfs/dbraw/zinc/38/41/15/743384115.db2.gz FMZXCHGZIFIGFS-OAHLLOKOSA-N 1 1 339.439 0.879 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059172250 743555552 /nfs/dbraw/zinc/55/55/52/743555552.db2.gz IJLUYSCCVWGHRC-YRGRVCCFSA-N 1 1 333.367 0.482 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059172250 743555556 /nfs/dbraw/zinc/55/55/56/743555556.db2.gz IJLUYSCCVWGHRC-YRGRVCCFSA-N 1 1 333.367 0.482 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn(CCOC)nn3)C[C@@]2(C)C1 ZINC000982275891 751839622 /nfs/dbraw/zinc/83/96/22/751839622.db2.gz LRBYOZWVUPLPJM-HDICACEKSA-N 1 1 345.447 0.732 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cc[nH]n3)C2)C1=O ZINC001027311389 743591541 /nfs/dbraw/zinc/59/15/41/743591541.db2.gz OZAHQAFKAZYQAY-ZFWWWQNUSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001027311389 743591545 /nfs/dbraw/zinc/59/15/45/743591545.db2.gz OZAHQAFKAZYQAY-ZFWWWQNUSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001027311389 743591551 /nfs/dbraw/zinc/59/15/51/743591551.db2.gz OZAHQAFKAZYQAY-ZFWWWQNUSA-N 1 1 331.420 0.733 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001027329722 743759623 /nfs/dbraw/zinc/75/96/23/743759623.db2.gz BLEQHHHVASQCHG-CHWSQXEVSA-N 1 1 349.435 0.399 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000997708919 743765113 /nfs/dbraw/zinc/76/51/13/743765113.db2.gz GCWQVPZNMKISEK-AAEUAGOBSA-N 1 1 328.844 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)nc1 ZINC000976270601 743768360 /nfs/dbraw/zinc/76/83/60/743768360.db2.gz SVJZTKUKSHUKIF-WTTBNOFXSA-N 1 1 338.411 0.344 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCOC1 ZINC000976300187 743799427 /nfs/dbraw/zinc/79/94/27/743799427.db2.gz JTIKEAXFKOPDLR-LFRCEIEQSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCOC1 ZINC000976300187 743799428 /nfs/dbraw/zinc/79/94/28/743799428.db2.gz JTIKEAXFKOPDLR-LFRCEIEQSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccon1 ZINC000997769923 743800399 /nfs/dbraw/zinc/80/03/99/743800399.db2.gz RSHXNAUZTUGVLK-OEAJRASXSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccon1 ZINC000997769923 743800400 /nfs/dbraw/zinc/80/04/00/743800400.db2.gz RSHXNAUZTUGVLK-OEAJRASXSA-N 1 1 342.399 0.634 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001027348433 743867421 /nfs/dbraw/zinc/86/74/21/743867421.db2.gz BHCGEXLHUUVYEA-HZPDHXFCSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001027348433 743867425 /nfs/dbraw/zinc/86/74/25/743867425.db2.gz BHCGEXLHUUVYEA-HZPDHXFCSA-N 1 1 345.447 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C)n1 ZINC000976405886 743915506 /nfs/dbraw/zinc/91/55/06/743915506.db2.gz NKSVXDHVHLPJPJ-LQKXBSAESA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C)n1 ZINC000976405886 743915508 /nfs/dbraw/zinc/91/55/08/743915508.db2.gz NKSVXDHVHLPJPJ-LQKXBSAESA-N 1 1 342.399 0.267 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000976408664 743919049 /nfs/dbraw/zinc/91/90/49/743919049.db2.gz OOERGRWTCAJZJR-RABLLNBGSA-N 1 1 327.388 0.025 20 30 ECEDMO C[N@@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1)C1CCC1 ZINC000976410420 743920742 /nfs/dbraw/zinc/92/07/42/743920742.db2.gz WRVUVLMYDIJFNU-QLPKVWCKSA-N 1 1 341.415 0.557 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@@]2(C)C1 ZINC000982290434 751879647 /nfs/dbraw/zinc/87/96/47/751879647.db2.gz XAFITGOVFBANEB-LZQZEXGQSA-N 1 1 347.459 0.285 20 30 ECEDMO C[N@H+]([C@@H]1CCCNC1=O)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027375034 744032626 /nfs/dbraw/zinc/03/26/26/744032626.db2.gz MREYTOUEEKTWFI-LSDHHAIUSA-N 1 1 329.404 0.701 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000976511039 744040422 /nfs/dbraw/zinc/04/04/22/744040422.db2.gz OILVBSYAHVMVME-HTBDUDNFSA-N 1 1 341.455 0.847 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000998194472 744043016 /nfs/dbraw/zinc/04/30/16/744043016.db2.gz DCUSQKGMRDJNIZ-AWEZNQCLSA-N 1 1 346.435 0.103 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001006833821 751886957 /nfs/dbraw/zinc/88/69/57/751886957.db2.gz LDRQITIAPWCGNA-DZGCQCFKSA-N 1 1 340.427 0.591 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2CCCC)C1 ZINC001020605555 751892415 /nfs/dbraw/zinc/89/24/15/751892415.db2.gz NJIVFRWCHJPLSX-TUVASFSCSA-N 1 1 348.451 0.801 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCOCC3=O)C[C@@]2(C)C1 ZINC000982297205 751903860 /nfs/dbraw/zinc/90/38/60/751903860.db2.gz AEALDYIZMOVRKO-HDICACEKSA-N 1 1 335.448 0.592 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412923 744240957 /nfs/dbraw/zinc/24/09/57/744240957.db2.gz XTIHCCWQOOHWMY-INIZCTEOSA-N 1 1 339.403 0.668 20 30 ECEDMO CCCn1nnnc1C[NH2+]C1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000998591275 744247068 /nfs/dbraw/zinc/24/70/68/744247068.db2.gz HFGVXNJWUAUIIC-UHFFFAOYSA-N 1 1 342.407 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3[nH]cnc3C)C[C@H]21 ZINC000976736596 744261972 /nfs/dbraw/zinc/26/19/72/744261972.db2.gz PHNZNJQPLAWRAA-KNCOVGOOSA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3[nH]cnc3C)C[C@H]21 ZINC000976736596 744261973 /nfs/dbraw/zinc/26/19/73/744261973.db2.gz PHNZNJQPLAWRAA-KNCOVGOOSA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cccn3C)C[C@H]21 ZINC000976739101 744265362 /nfs/dbraw/zinc/26/53/62/744265362.db2.gz IPONDIJYLPGFLO-QSJFSLAZSA-N 1 1 340.427 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cccn3C)C[C@H]21 ZINC000976739101 744265365 /nfs/dbraw/zinc/26/53/65/744265365.db2.gz IPONDIJYLPGFLO-QSJFSLAZSA-N 1 1 340.427 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C)n3)C[C@H]21 ZINC000976740071 744269336 /nfs/dbraw/zinc/26/93/36/744269336.db2.gz LGTBYMMIIQZJDC-LQKXBSAESA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C)n3)C[C@H]21 ZINC000976740071 744269341 /nfs/dbraw/zinc/26/93/41/744269341.db2.gz LGTBYMMIIQZJDC-LQKXBSAESA-N 1 1 341.415 0.002 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001006867583 751917328 /nfs/dbraw/zinc/91/73/28/751917328.db2.gz XSICUUZYQDIBIO-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001006867583 751917331 /nfs/dbraw/zinc/91/73/31/751917331.db2.gz XSICUUZYQDIBIO-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nncn1C ZINC000998849647 744371170 /nfs/dbraw/zinc/37/11/70/744371170.db2.gz PDNNKUCELQFIIY-WCQYABFASA-N 1 1 327.392 0.970 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000976849543 744396377 /nfs/dbraw/zinc/39/63/77/744396377.db2.gz YUTNFYJZJYVBTK-FOLVSLTJSA-N 1 1 338.371 0.278 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001028249567 751921495 /nfs/dbraw/zinc/92/14/95/751921495.db2.gz KRNBDDQXDYTWNK-HNNXBMFYSA-N 1 1 331.420 0.847 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)c1ncccc1O ZINC001126110174 744480369 /nfs/dbraw/zinc/48/03/69/744480369.db2.gz KFGOEVDSWKMEFX-ZDUSSCGKSA-N 1 1 334.420 0.920 20 30 ECEDMO C=C1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC000999107936 744516872 /nfs/dbraw/zinc/51/68/72/744516872.db2.gz MAGIDTOMWGRBFY-MRXNPFEDSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC000999107936 744516873 /nfs/dbraw/zinc/51/68/73/744516873.db2.gz MAGIDTOMWGRBFY-MRXNPFEDSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000999112114 744518522 /nfs/dbraw/zinc/51/85/22/744518522.db2.gz CURNPGQPOBIWSP-CZUORRHYSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000999112114 744518526 /nfs/dbraw/zinc/51/85/26/744518526.db2.gz CURNPGQPOBIWSP-CZUORRHYSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC000999195558 744560388 /nfs/dbraw/zinc/56/03/88/744560388.db2.gz SCAKZEZILAVGGV-ZNMIVQPWSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000999277193 744598620 /nfs/dbraw/zinc/59/86/20/744598620.db2.gz FGVDUKPYARVHRI-BTUGKURYSA-N 1 1 345.443 0.533 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)c1 ZINC000999316802 744621202 /nfs/dbraw/zinc/62/12/02/744621202.db2.gz ALUALFNGPABGLA-DLBZAZTESA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1=O ZINC001027475786 744711021 /nfs/dbraw/zinc/71/10/21/744711021.db2.gz ZOPZZFIGBCLXKZ-GXTWGEPZSA-N 1 1 332.408 0.128 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC2(C)C)nn1 ZINC000977249439 744807392 /nfs/dbraw/zinc/80/73/92/744807392.db2.gz HPXARYUMGBKHEV-OAHLLOKOSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C)c3)CC2(C)C)nn1 ZINC000977249439 744807394 /nfs/dbraw/zinc/80/73/94/744807394.db2.gz HPXARYUMGBKHEV-OAHLLOKOSA-N 1 1 343.435 0.838 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC([NH2+][C@@H](C)c3nnnn3C)C2)nc1 ZINC000999704906 744855352 /nfs/dbraw/zinc/85/53/52/744855352.db2.gz BLGPFRNQKYUHPF-XGNXJENSSA-N 1 1 339.403 0.540 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC([NH2+][C@H](C)c3nnnn3C)C2)cn1 ZINC000999714644 744862942 /nfs/dbraw/zinc/86/29/42/744862942.db2.gz YATUUHZFCYLKFQ-VCANKDNSSA-N 1 1 339.403 0.540 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C(C)(C)C1 ZINC000977330407 744873182 /nfs/dbraw/zinc/87/31/82/744873182.db2.gz SSSRGTBWKQDLIZ-ZDUSSCGKSA-N 1 1 327.388 0.898 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cnn(C)n3)C(C)(C)C2)C1=O ZINC000977340666 744879523 /nfs/dbraw/zinc/87/95/23/744879523.db2.gz YHWTXZLCCNBTIL-KGLIPLIRSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cnn(C)n3)C(C)(C)C2)C1=O ZINC000977340666 744879525 /nfs/dbraw/zinc/87/95/25/744879525.db2.gz YHWTXZLCCNBTIL-KGLIPLIRSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000999868398 744967684 /nfs/dbraw/zinc/96/76/84/744967684.db2.gz FFUVTGCJNKDMFV-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO O=C(C#CC1CC1)N1CC(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000999900182 745034516 /nfs/dbraw/zinc/03/45/16/745034516.db2.gz PBDNFAPEMIIEGS-UHFFFAOYSA-N 1 1 342.399 0.624 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)C3CCOCC3)nn2)C1 ZINC000999945053 745079034 /nfs/dbraw/zinc/07/90/34/745079034.db2.gz RJCFPEZMUGTNCU-MRXNPFEDSA-N 1 1 331.420 0.591 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)nn3C)nn2)C1 ZINC000999962339 745105263 /nfs/dbraw/zinc/10/52/63/745105263.db2.gz LZAYMKDHVVDWAU-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3C)nn2)C1 ZINC000999967822 745112409 /nfs/dbraw/zinc/11/24/09/745112409.db2.gz PMCGRLTTXCICSG-CQSZACIVSA-N 1 1 327.392 0.130 20 30 ECEDMO N#Cc1cc(C(=O)NCc2cn([C@@H]3CC[N@H+](CCCO)C3)nn2)c[nH]1 ZINC000999970613 745118539 /nfs/dbraw/zinc/11/85/39/745118539.db2.gz CICRTOPVXIOXOX-OAHLLOKOSA-N 1 1 343.391 0.037 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(OC)no3)nn2)C1 ZINC000999976332 745125396 /nfs/dbraw/zinc/12/53/96/745125396.db2.gz UDDFFFRFQFLAGY-CYBMUJFWSA-N 1 1 344.375 0.475 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3COC(=O)N3)nn2)C1 ZINC000999985083 745137447 /nfs/dbraw/zinc/13/74/47/745137447.db2.gz NBNBIGFQZFYTSW-UONOGXRCSA-N 1 1 348.407 0.216 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(CC)n3)nn2)C1 ZINC000999989236 745145769 /nfs/dbraw/zinc/14/57/69/745145769.db2.gz FHUMCIFBXZHFKH-CQSZACIVSA-N 1 1 344.423 0.642 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@]34C[C@H]3COC4)nn2)C1 ZINC000999992824 745150640 /nfs/dbraw/zinc/15/06/40/745150640.db2.gz QTRINSHVWSNXTD-LXZKKBNFSA-N 1 1 331.420 0.754 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nn(C)cc3C)nn2)C1 ZINC000999992937 745150841 /nfs/dbraw/zinc/15/08/41/745150841.db2.gz SOCYZFWLBVUMJU-AWEZNQCLSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCN(C)C(=O)C3)nn2)C1 ZINC000999995138 745153807 /nfs/dbraw/zinc/15/38/07/745153807.db2.gz DHBPIKIWOZPVEK-DZGCQCFKSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999996942 745156493 /nfs/dbraw/zinc/15/64/93/745156493.db2.gz KKDJGQJWFZANMX-IRXDYDNUSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999996942 745156496 /nfs/dbraw/zinc/15/64/96/745156496.db2.gz KKDJGQJWFZANMX-IRXDYDNUSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccn4nccc34)nn2)C1 ZINC001000001019 745163392 /nfs/dbraw/zinc/16/33/92/745163392.db2.gz AHMDAHDDBGMWOV-OAHLLOKOSA-N 1 1 349.398 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnnc3C)nn2)C1 ZINC001000001630 745164432 /nfs/dbraw/zinc/16/44/32/745164432.db2.gz DIMVJGADJZZLSW-CQSZACIVSA-N 1 1 325.376 0.187 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088569983 751977744 /nfs/dbraw/zinc/97/77/44/751977744.db2.gz VHPAUJMTENYYCN-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088569983 751977749 /nfs/dbraw/zinc/97/77/49/751977749.db2.gz VHPAUJMTENYYCN-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCN(C)C3=O)nn2)C1 ZINC001000007214 745174955 /nfs/dbraw/zinc/17/49/55/745174955.db2.gz BGRDPDHEYBKVIE-CABCVRRESA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)nn2)C1 ZINC001000011714 745180196 /nfs/dbraw/zinc/18/01/96/745180196.db2.gz XEEYGNWZWHUXNY-CAOSSQGBSA-N 1 1 331.420 0.610 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)n3C)nn2)C1 ZINC001000018076 745188181 /nfs/dbraw/zinc/18/81/81/745188181.db2.gz WQFSCFVOSSNLOY-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]nnc3C)nn2)C1 ZINC001000019415 745189491 /nfs/dbraw/zinc/18/94/91/745189491.db2.gz SMGKJTKYDCUSHC-CYBMUJFWSA-N 1 1 330.396 0.458 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 ZINC001000019719 745189635 /nfs/dbraw/zinc/18/96/35/745189635.db2.gz FYNIRXOOECGYOK-GFCCVEGCSA-N 1 1 331.355 0.340 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001000023488 745194549 /nfs/dbraw/zinc/19/45/49/745194549.db2.gz BWHFNJCIJMDRGQ-HNNXBMFYSA-N 1 1 325.376 0.268 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CNC(N)=O)cc2)C(C)(C)C1 ZINC000977563568 745207135 /nfs/dbraw/zinc/20/71/35/745207135.db2.gz DMYLYCKSWDXCLB-OAHLLOKOSA-N 1 1 328.416 0.928 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CNC(N)=O)cc2)C(C)(C)C1 ZINC000977563568 745207139 /nfs/dbraw/zinc/20/71/39/745207139.db2.gz DMYLYCKSWDXCLB-OAHLLOKOSA-N 1 1 328.416 0.928 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)C1 ZINC001000034573 745210090 /nfs/dbraw/zinc/21/00/90/745210090.db2.gz WUQUVMGNJAJUHX-JJXSEGSLSA-N 1 1 331.420 0.895 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3C=C)nn2)C1 ZINC001000034577 745210460 /nfs/dbraw/zinc/21/04/60/745210460.db2.gz WWIPHSDZSXLZLX-ZACQAIPSSA-N 1 1 343.431 0.756 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nocc3C)nn2)C1 ZINC001000036447 745212776 /nfs/dbraw/zinc/21/27/76/745212776.db2.gz SPZAMGWJCQACIZ-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)nn1 ZINC001098696953 745212989 /nfs/dbraw/zinc/21/29/89/745212989.db2.gz AHJWJFVYRBLFLJ-LSDHHAIUSA-N 1 1 346.435 0.338 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nccs3)nn2)C1 ZINC001000038835 745217786 /nfs/dbraw/zinc/21/77/86/745217786.db2.gz ZETPDYRVTWZNDA-CYBMUJFWSA-N 1 1 330.417 0.935 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1ccc(C#N)[nH]1 ZINC000977591775 745223348 /nfs/dbraw/zinc/22/33/48/745223348.db2.gz HOBBZYNNDWGYEH-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccn3CC)nn2)C1 ZINC001000045352 745225986 /nfs/dbraw/zinc/22/59/86/745225986.db2.gz PMZIJLTZXFENAB-OAHLLOKOSA-N 1 1 326.404 0.910 20 30 ECEDMO N#CCN1CCC(C2(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC001000158080 745298799 /nfs/dbraw/zinc/29/87/99/745298799.db2.gz PJOIXWYHIZLWJN-JKSUJKDBSA-N 1 1 332.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCc3c[nH]nn3)C2)C1=O ZINC001000232159 745368420 /nfs/dbraw/zinc/36/84/20/745368420.db2.gz NONGRQCKMNAHJR-HUUCEWRRSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCc3cnn[nH]3)C2)C1=O ZINC001000232159 745368426 /nfs/dbraw/zinc/36/84/26/745368426.db2.gz NONGRQCKMNAHJR-HUUCEWRRSA-N 1 1 346.435 0.105 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001075785222 745398799 /nfs/dbraw/zinc/39/87/99/745398799.db2.gz VXUVBLOUUQHZBO-OFQRWUPVSA-N 1 1 341.415 0.319 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001000424690 745489527 /nfs/dbraw/zinc/48/95/27/745489527.db2.gz BMDNNWSCCVGIFA-YCPHGPKFSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001000429122 745492951 /nfs/dbraw/zinc/49/29/51/745492951.db2.gz ZCMNPVCEFULAIV-KBMXLJTQSA-N 1 1 333.436 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000983925074 745523723 /nfs/dbraw/zinc/52/37/23/745523723.db2.gz XULOGGZLNOTZNK-CVEARBPZSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000983925074 745523724 /nfs/dbraw/zinc/52/37/24/745523724.db2.gz XULOGGZLNOTZNK-CVEARBPZSA-N 1 1 343.431 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CCCOC3)CC2)C1=O ZINC001000498856 745548320 /nfs/dbraw/zinc/54/83/20/745548320.db2.gz BYRWQSXWQNWPLB-IAGOWNOFSA-N 1 1 347.459 0.948 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001020713672 752016246 /nfs/dbraw/zinc/01/62/46/752016246.db2.gz GEXKGBIPYNFVJJ-SDADXPQNSA-N 1 1 333.436 0.923 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)c1 ZINC001028269130 752016523 /nfs/dbraw/zinc/01/65/23/752016523.db2.gz GYEQJIKCMOHNSE-HOTGVXAUSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@@H+](CCn3cncn3)CC2)[nH]1 ZINC001000594463 745624208 /nfs/dbraw/zinc/62/42/08/745624208.db2.gz PORDELWGISIAJP-UHFFFAOYSA-N 1 1 325.376 0.540 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ncc[nH]1 ZINC000977923425 745653555 /nfs/dbraw/zinc/65/35/55/745653555.db2.gz BMBNTTCDBJCGPY-KGLIPLIRSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ncc[nH]1 ZINC000977923425 745653559 /nfs/dbraw/zinc/65/35/59/745653559.db2.gz BMBNTTCDBJCGPY-KGLIPLIRSA-N 1 1 329.404 0.180 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCCN(C)C2=O)cn1 ZINC001028270477 752023790 /nfs/dbraw/zinc/02/37/90/752023790.db2.gz KUCOTNMWUSUZDV-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1ccn[nH]1 ZINC000977931086 745687819 /nfs/dbraw/zinc/68/78/19/745687819.db2.gz SXWRMLYGNUZARO-CVEARBPZSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1cc[nH]n1 ZINC000977931086 745687821 /nfs/dbraw/zinc/68/78/21/745687821.db2.gz SXWRMLYGNUZARO-CVEARBPZSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1cc[nH]n1 ZINC000977931086 745687824 /nfs/dbraw/zinc/68/78/24/745687824.db2.gz SXWRMLYGNUZARO-CVEARBPZSA-N 1 1 343.431 0.109 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC000984047154 745733658 /nfs/dbraw/zinc/73/36/58/745733658.db2.gz HNOMGZNYDPQPPA-VQHPVUNQSA-N 1 1 348.491 0.742 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnns4)C[C@H]32)c1 ZINC000977976431 745736124 /nfs/dbraw/zinc/73/61/24/745736124.db2.gz LMIZORUKLIQWLK-XYYAHUGASA-N 1 1 328.401 0.846 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnns4)C[C@H]32)c1 ZINC000977976431 745736130 /nfs/dbraw/zinc/73/61/30/745736130.db2.gz LMIZORUKLIQWLK-XYYAHUGASA-N 1 1 328.401 0.846 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC001000755751 745746688 /nfs/dbraw/zinc/74/66/88/745746688.db2.gz ANOOQMFCJUCHCJ-UHFFFAOYSA-N 1 1 327.384 0.546 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nnc(C)[nH]1 ZINC001029342413 745758220 /nfs/dbraw/zinc/75/82/20/745758220.db2.gz MXOPGHQJIWFETK-XHSDSOJGSA-N 1 1 342.447 0.386 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nnc(C)[nH]1 ZINC001029342413 745758224 /nfs/dbraw/zinc/75/82/24/745758224.db2.gz MXOPGHQJIWFETK-XHSDSOJGSA-N 1 1 342.447 0.386 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N(C)C ZINC001029342580 745758752 /nfs/dbraw/zinc/75/87/52/745758752.db2.gz VHNYRCCHGMVEDV-NXOAAHMSSA-N 1 1 346.475 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N(C)C ZINC001029342580 745758754 /nfs/dbraw/zinc/75/87/54/745758754.db2.gz VHNYRCCHGMVEDV-NXOAAHMSSA-N 1 1 346.475 0.236 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2csnn2)CC1 ZINC001000791006 745767820 /nfs/dbraw/zinc/76/78/20/745767820.db2.gz LLCAFRFKGZNMHF-INIZCTEOSA-N 1 1 345.472 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2csnn2)CC1 ZINC001000791006 745767824 /nfs/dbraw/zinc/76/78/24/745767824.db2.gz LLCAFRFKGZNMHF-INIZCTEOSA-N 1 1 345.472 0.884 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)[nH]1 ZINC000978019375 745804787 /nfs/dbraw/zinc/80/47/87/745804787.db2.gz IYZXMQCHZVOSTD-XPCVCDNBSA-N 1 1 327.388 0.073 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)C4=CCOCC4)[C@@H]3C2)C1=O ZINC000978038255 745813978 /nfs/dbraw/zinc/81/39/78/745813978.db2.gz SCLLAXXKHXSVOO-WCXIOVBPSA-N 1 1 345.443 0.414 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001000845977 745821486 /nfs/dbraw/zinc/82/14/86/745821486.db2.gz CKAIXJWUGJHHBV-UHFFFAOYSA-N 1 1 339.417 0.865 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC000978028714 745829187 /nfs/dbraw/zinc/82/91/87/745829187.db2.gz NGYLLSXUWAYMPP-JONQDZQNSA-N 1 1 341.415 0.415 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978081991 745896629 /nfs/dbraw/zinc/89/66/29/745896629.db2.gz RLRSESMAYLIJIR-KCXZSRPNSA-N 1 1 341.415 0.461 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4COC(=O)N4)[C@@H]3C2)s1 ZINC000978110253 745918754 /nfs/dbraw/zinc/91/87/54/745918754.db2.gz LNBFVNYEHZRPTI-YIYPIFLZSA-N 1 1 346.412 0.522 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(CCOC)nc3C)[C@@H]2C1 ZINC000978166673 745979470 /nfs/dbraw/zinc/97/94/70/745979470.db2.gz OTUUSLCYVYGRRD-XGBSXSJOSA-N 1 1 330.432 0.769 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3CCNC3=O)CC2)cc1 ZINC001001040801 746003813 /nfs/dbraw/zinc/00/38/13/746003813.db2.gz QBIBXZDOKZGQGB-QGZVFWFLSA-N 1 1 338.411 0.943 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cncnc3)[C@@H](O)C2)cc1 ZINC001083433485 752056370 /nfs/dbraw/zinc/05/63/70/752056370.db2.gz MTTUAXJWVPDUJS-SJORKVTESA-N 1 1 337.383 0.252 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3cncnc3)[C@@H](O)C2)cc1 ZINC001083433485 752056373 /nfs/dbraw/zinc/05/63/73/752056373.db2.gz MTTUAXJWVPDUJS-SJORKVTESA-N 1 1 337.383 0.252 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCCNC2=O)cn1 ZINC001028273832 752056623 /nfs/dbraw/zinc/05/66/23/752056623.db2.gz SCDIJAXMEFTPDS-HOTGVXAUSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCCNC2=O)cn1 ZINC001028273832 752056630 /nfs/dbraw/zinc/05/66/30/752056630.db2.gz SCDIJAXMEFTPDS-HOTGVXAUSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CCN(C(=O)COC)CC1 ZINC000988424603 752058849 /nfs/dbraw/zinc/05/88/49/752058849.db2.gz YOJGVCREFNIMMW-INIZCTEOSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CCN(C(=O)COC)CC1 ZINC000988424603 752058853 /nfs/dbraw/zinc/05/88/53/752058853.db2.gz YOJGVCREFNIMMW-INIZCTEOSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)[C@@H]1CC ZINC001087608219 746116418 /nfs/dbraw/zinc/11/64/18/746116418.db2.gz WPABGLGPPZELQL-BBWFWOEESA-N 1 1 344.463 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=COCCC2)C1 ZINC001001162071 746126260 /nfs/dbraw/zinc/12/62/60/746126260.db2.gz SOJOMNYJTXSDAT-INIZCTEOSA-N 1 1 331.416 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=COCCC2)C1 ZINC001001162071 746126262 /nfs/dbraw/zinc/12/62/62/746126262.db2.gz SOJOMNYJTXSDAT-INIZCTEOSA-N 1 1 331.416 0.353 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2cc(C)c(C(N)=O)cn2)CC1 ZINC001001180308 746142493 /nfs/dbraw/zinc/14/24/93/746142493.db2.gz XGAOJUWYQMTMCX-UHFFFAOYSA-N 1 1 326.400 0.874 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnoc3C)C[C@H]21 ZINC000978280658 746143037 /nfs/dbraw/zinc/14/30/37/746143037.db2.gz JSYVZGWGNVMGOP-FJIDUMEYSA-N 1 1 342.443 0.875 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001001182320 746145130 /nfs/dbraw/zinc/14/51/30/746145130.db2.gz OVQPUIGGRCXJHD-HNNXBMFYSA-N 1 1 330.436 0.950 20 30 ECEDMO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083434201 752065201 /nfs/dbraw/zinc/06/52/01/752065201.db2.gz WDUKXMOTJUQNMY-CVEARBPZSA-N 1 1 339.399 0.750 20 30 ECEDMO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083434201 752065206 /nfs/dbraw/zinc/06/52/06/752065206.db2.gz WDUKXMOTJUQNMY-CVEARBPZSA-N 1 1 339.399 0.750 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H]1CC ZINC001087662598 746159962 /nfs/dbraw/zinc/15/99/62/746159962.db2.gz UIHXQYPRJVFKKI-DZGCQCFKSA-N 1 1 326.404 0.969 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)nn1 ZINC001027607243 746166372 /nfs/dbraw/zinc/16/63/72/746166372.db2.gz UIIABCGEOFYJQT-AWEZNQCLSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)nn1 ZINC001027607243 746166373 /nfs/dbraw/zinc/16/63/73/746166373.db2.gz UIIABCGEOFYJQT-AWEZNQCLSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cncn3C)C2)nn1 ZINC001027607604 746171814 /nfs/dbraw/zinc/17/18/14/746171814.db2.gz ZXURKSNBVPDSOS-CQSZACIVSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cncn3C)C2)nn1 ZINC001027607604 746171820 /nfs/dbraw/zinc/17/18/20/746171820.db2.gz ZXURKSNBVPDSOS-CQSZACIVSA-N 1 1 343.435 0.934 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@H+](CC(=O)NC)CC1 ZINC001001245123 746203246 /nfs/dbraw/zinc/20/32/46/746203246.db2.gz MPZUJYLANJRIDS-RDJZCZTQSA-N 1 1 335.448 0.852 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC(=O)NC)CC1 ZINC001001245123 746203249 /nfs/dbraw/zinc/20/32/49/746203249.db2.gz MPZUJYLANJRIDS-RDJZCZTQSA-N 1 1 335.448 0.852 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001027612588 746212031 /nfs/dbraw/zinc/21/20/31/746212031.db2.gz LRDZQAQWYFHWRC-STQMWFEESA-N 1 1 349.884 0.696 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001027612588 746212033 /nfs/dbraw/zinc/21/20/33/746212033.db2.gz LRDZQAQWYFHWRC-STQMWFEESA-N 1 1 349.884 0.696 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 ZINC000978338907 746220988 /nfs/dbraw/zinc/22/09/88/746220988.db2.gz QZTPGJNXZAEYEB-RGDJUOJXSA-N 1 1 346.349 0.650 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@@H]2CC)c1 ZINC001087718684 746234261 /nfs/dbraw/zinc/23/42/61/746234261.db2.gz BTAJLWJGTAHMPW-DLBZAZTESA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@@H]2CC)c1 ZINC001087718684 746234263 /nfs/dbraw/zinc/23/42/63/746234263.db2.gz BTAJLWJGTAHMPW-DLBZAZTESA-N 1 1 338.415 0.974 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3ccncn3)CC2)C1=O ZINC001001283046 746242555 /nfs/dbraw/zinc/24/25/55/746242555.db2.gz WBFZYGPXVVFYCG-MRXNPFEDSA-N 1 1 341.415 0.625 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000978364462 746246725 /nfs/dbraw/zinc/24/67/25/746246725.db2.gz ZMZFVSMFCQCASV-NVXWUHKLSA-N 1 1 340.427 0.688 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C[C@H](O)Cn3cccn3)C2)[nH]1 ZINC001007096304 752082131 /nfs/dbraw/zinc/08/21/31/752082131.db2.gz DKIMVLVOEZZHOT-CABCVRRESA-N 1 1 342.403 0.338 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)n3)[C@H]2CC)C1=O ZINC001087760195 746289486 /nfs/dbraw/zinc/28/94/86/746289486.db2.gz BIZOWSHITSQTSE-CFVMTHIKSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)n3)[C@H]2CC)C1=O ZINC001087760195 746289490 /nfs/dbraw/zinc/28/94/90/746289490.db2.gz BIZOWSHITSQTSE-CFVMTHIKSA-N 1 1 346.435 0.185 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087757639 746291066 /nfs/dbraw/zinc/29/10/66/746291066.db2.gz DNOFXDOYYPXJDP-BFHYXJOUSA-N 1 1 327.450 0.013 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cn(C3CCOCC3)nn2)CC1 ZINC001001359325 746306264 /nfs/dbraw/zinc/30/62/64/746306264.db2.gz HPIYGZSEKAUIBE-UHFFFAOYSA-N 1 1 329.404 0.625 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001001367074 746313542 /nfs/dbraw/zinc/31/35/42/746313542.db2.gz SDRKATVBPAMTHN-UHFFFAOYSA-N 1 1 328.376 0.356 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001098705795 746318154 /nfs/dbraw/zinc/31/81/54/746318154.db2.gz JRIYKUTVTODCPO-MRXNPFEDSA-N 1 1 344.463 0.506 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1 ZINC000978435080 746318399 /nfs/dbraw/zinc/31/83/99/746318399.db2.gz ZLULNBWMQJZRAK-OSYLJGHBSA-N 1 1 343.427 0.426 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)[C@H]1CC ZINC001087778716 746319202 /nfs/dbraw/zinc/31/92/02/746319202.db2.gz OATDKSDZYLLWEA-IJEWVQPXSA-N 1 1 331.420 0.531 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@@H](C)C(=O)N(C)C)CC2)nc1 ZINC001001383925 746330497 /nfs/dbraw/zinc/33/04/97/746330497.db2.gz NUCRYAQWWFEWIO-AWEZNQCLSA-N 1 1 340.427 0.902 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC000984349792 746330557 /nfs/dbraw/zinc/33/05/57/746330557.db2.gz JBBABAYVJIKIGO-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC000984349792 746330561 /nfs/dbraw/zinc/33/05/61/746330561.db2.gz JBBABAYVJIKIGO-ULQDDVLXSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)[C@H]1CC ZINC001087802455 746363191 /nfs/dbraw/zinc/36/31/91/746363191.db2.gz RQQQXGLRTZNHRB-LSDHHAIUSA-N 1 1 325.368 0.786 20 30 ECEDMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)n[nH]1 ZINC001075820356 746383023 /nfs/dbraw/zinc/38/30/23/746383023.db2.gz XPVIWBOVHVBGAY-VBNZEHGJSA-N 1 1 328.420 0.846 20 30 ECEDMO C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)n[nH]1 ZINC001075820356 746383030 /nfs/dbraw/zinc/38/30/30/746383030.db2.gz XPVIWBOVHVBGAY-VBNZEHGJSA-N 1 1 328.420 0.846 20 30 ECEDMO C=CCN1CC[C@@H](N2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001001454543 746393182 /nfs/dbraw/zinc/39/31/82/746393182.db2.gz XTWPMCSGXCQMFX-IAGOWNOFSA-N 1 1 346.475 0.473 20 30 ECEDMO C=CCN1CC[C@@H](N2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001001454543 746393189 /nfs/dbraw/zinc/39/31/89/746393189.db2.gz XTWPMCSGXCQMFX-IAGOWNOFSA-N 1 1 346.475 0.473 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001027634823 746411873 /nfs/dbraw/zinc/41/18/73/746411873.db2.gz PCLJCJGYEKITTM-HUUCEWRRSA-N 1 1 331.420 0.484 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnnn2C)CC1 ZINC001001492523 746430686 /nfs/dbraw/zinc/43/06/86/746430686.db2.gz RJIAQCXKLYWEQT-KRWDZBQOSA-N 1 1 344.463 0.241 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001502740 746438638 /nfs/dbraw/zinc/43/86/38/746438638.db2.gz UUCVITQTXCIVGO-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)cc1 ZINC000978573416 746451510 /nfs/dbraw/zinc/45/15/10/746451510.db2.gz NIBGXHMOALGVRB-NNZMDNLPSA-N 1 1 335.411 0.867 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCNC4=O)[C@@H]3C2)c1 ZINC000978584810 746472345 /nfs/dbraw/zinc/47/23/45/746472345.db2.gz PUZUAUXCXWYIKM-VQHPVUNQSA-N 1 1 338.411 0.488 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@H]2CCCN(C(=O)C3CC3)C2)C1=O ZINC001087853224 746505053 /nfs/dbraw/zinc/50/50/53/746505053.db2.gz DRCBPBRWBVLRNO-JKSUJKDBSA-N 1 1 335.448 0.469 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000978645012 746537549 /nfs/dbraw/zinc/53/75/49/746537549.db2.gz SIFHWPMDKHWZPC-WCVJEAGWSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000978645012 746537553 /nfs/dbraw/zinc/53/75/53/746537553.db2.gz SIFHWPMDKHWZPC-WCVJEAGWSA-N 1 1 333.432 0.132 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cn[nH]c4)C[C@@H]3C2)C1=O ZINC001087894742 746586233 /nfs/dbraw/zinc/58/62/33/746586233.db2.gz CNUSFIXKXPNVKU-KBMXLJTQSA-N 1 1 343.431 0.591 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000978698085 746593670 /nfs/dbraw/zinc/59/36/70/746593670.db2.gz QNBIMZMKYBEBTD-NFAWXSAZSA-N 1 1 343.431 0.853 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)cn1 ZINC001027656539 746599003 /nfs/dbraw/zinc/59/90/03/746599003.db2.gz SLCZKXNKHKPYEG-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)nc1 ZINC001027656669 746599757 /nfs/dbraw/zinc/59/97/57/746599757.db2.gz WRAOEWZYEGROBV-ZBFHGGJFSA-N 1 1 328.416 0.863 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cocn4)C[C@@H]3C2)C1=O ZINC001087908914 746633105 /nfs/dbraw/zinc/63/31/05/746633105.db2.gz RFLRFCNFWWZNEW-YCPHGPKFSA-N 1 1 344.415 0.855 20 30 ECEDMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001087915160 746656951 /nfs/dbraw/zinc/65/69/51/746656951.db2.gz YCGIFUBNHOWPRR-CVEARBPZSA-N 1 1 343.402 0.833 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)c1 ZINC001087925244 746670331 /nfs/dbraw/zinc/67/03/31/746670331.db2.gz CLTOFJZEGGOTLG-VNHYZAJKSA-N 1 1 327.388 0.169 20 30 ECEDMO CO[C@H](C[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1)C1CCC1 ZINC001211886000 746672607 /nfs/dbraw/zinc/67/26/07/746672607.db2.gz BCHSDKRQGYNDCB-RBSFLKMASA-N 1 1 341.477 0.874 20 30 ECEDMO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)nn1 ZINC001087938682 746688959 /nfs/dbraw/zinc/68/89/59/746688959.db2.gz GHZRKRKNPCKOJG-OLZOCXBDSA-N 1 1 339.403 0.609 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)nn1 ZINC001087938682 746688961 /nfs/dbraw/zinc/68/89/61/746688961.db2.gz GHZRKRKNPCKOJG-OLZOCXBDSA-N 1 1 339.403 0.609 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@@H](C)OC)C[C@H]32)nn1 ZINC000978812041 746733325 /nfs/dbraw/zinc/73/33/25/746733325.db2.gz CIGGWULMHDZOCT-TUVASFSCSA-N 1 1 333.436 0.797 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)COC)C[C@H]32)nn1 ZINC000978812167 746733406 /nfs/dbraw/zinc/73/34/06/746733406.db2.gz DZIWPYGEBFNDNW-TUVASFSCSA-N 1 1 333.436 0.797 20 30 ECEDMO C=C(C)CCNCc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105361333 752119471 /nfs/dbraw/zinc/11/94/71/752119471.db2.gz WQNLDOJQGMCZBC-UHFFFAOYSA-N 1 1 344.463 0.813 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]2C1 ZINC001087964778 746753789 /nfs/dbraw/zinc/75/37/89/746753789.db2.gz ZSGILBDOBCBPJN-KFWWJZLASA-N 1 1 343.431 0.729 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3csc(-c4nc[nH]n4)n3)[C@@H]2C1 ZINC000978837480 746762818 /nfs/dbraw/zinc/76/28/18/746762818.db2.gz FVELTZDYAHOGOU-CNDDSTCGSA-N 1 1 342.428 0.859 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027683836 746793543 /nfs/dbraw/zinc/79/35/43/746793543.db2.gz QOSMPBMXXLPSPF-RYUDHWBXSA-N 1 1 335.857 0.353 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027683836 746793546 /nfs/dbraw/zinc/79/35/46/746793546.db2.gz QOSMPBMXXLPSPF-RYUDHWBXSA-N 1 1 335.857 0.353 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001001995971 746869948 /nfs/dbraw/zinc/86/99/48/746869948.db2.gz BEVXWSIXEMJWIG-OAHLLOKOSA-N 1 1 326.400 0.203 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCNC1=O ZINC001029481006 746896394 /nfs/dbraw/zinc/89/63/94/746896394.db2.gz VHHDBUKKUITSNR-QXSJWSMHSA-N 1 1 348.447 0.278 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCNC1=O ZINC001029481006 746896404 /nfs/dbraw/zinc/89/64/04/746896404.db2.gz VHHDBUKKUITSNR-QXSJWSMHSA-N 1 1 348.447 0.278 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000978952034 746944318 /nfs/dbraw/zinc/94/43/18/746944318.db2.gz FSGJXBCHKFGLJX-NXOAAHMSSA-N 1 1 346.475 0.047 20 30 ECEDMO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001059446240 746980088 /nfs/dbraw/zinc/98/00/88/746980088.db2.gz NKNIEVHUAFYGLT-JURCDPSOSA-N 1 1 342.403 0.271 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007157297 752139197 /nfs/dbraw/zinc/13/91/97/752139197.db2.gz SIAXCEITKDRXJL-MOPGFXCFSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007157297 752139200 /nfs/dbraw/zinc/13/92/00/752139200.db2.gz SIAXCEITKDRXJL-MOPGFXCFSA-N 1 1 341.455 0.949 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001059446282 746981095 /nfs/dbraw/zinc/98/10/95/746981095.db2.gz OPISQMSDRWCMTI-AJNGGQMLSA-N 1 1 342.403 0.271 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001002199273 747075455 /nfs/dbraw/zinc/07/54/55/747075455.db2.gz CKIZCCFGTPZHIN-HFTRVMKXSA-N 1 1 349.475 0.884 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc4nc(C)cc(C)n4n3)[C@@H]2C1 ZINC000979033376 747081658 /nfs/dbraw/zinc/08/16/58/747081658.db2.gz DGOUQUJMXDUPLU-QKDCVEJESA-N 1 1 338.415 0.672 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001002216132 747093148 /nfs/dbraw/zinc/09/31/48/747093148.db2.gz JDXPSZGKTUKWFN-OAGGEKHMSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC001088030898 747109872 /nfs/dbraw/zinc/10/98/72/747109872.db2.gz OMBCIVVUEHDIHW-KGLIPLIRSA-N 1 1 332.404 0.305 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC001088030922 747110088 /nfs/dbraw/zinc/11/00/88/747110088.db2.gz PZWFYEJFKIHRIR-CABCVRRESA-N 1 1 346.431 0.695 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@@H]2C1 ZINC001088053391 747160456 /nfs/dbraw/zinc/16/04/56/747160456.db2.gz GJLCRWDXVSNDBA-VSZNYVQBSA-N 1 1 347.459 0.426 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029511920 747207561 /nfs/dbraw/zinc/20/75/61/747207561.db2.gz HBAVUACWCULVGR-QRJUGERDSA-N 1 1 333.432 0.531 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnccn2)C1=O ZINC001027731259 747213168 /nfs/dbraw/zinc/21/31/68/747213168.db2.gz IIPYKRIOEKVBRZ-ZFWWWQNUSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnccn2)C1=O ZINC001027731259 747213172 /nfs/dbraw/zinc/21/31/72/747213172.db2.gz IIPYKRIOEKVBRZ-ZFWWWQNUSA-N 1 1 329.404 0.458 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4nccn4)[C@@H]3C2)s1 ZINC001075836266 747293918 /nfs/dbraw/zinc/29/39/18/747293918.db2.gz DOQUYWOBMBANEJ-SWLSCSKDSA-N 1 1 342.428 0.944 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4nccn4)[C@@H]3C2)s1 ZINC001075836266 747293921 /nfs/dbraw/zinc/29/39/21/747293921.db2.gz DOQUYWOBMBANEJ-SWLSCSKDSA-N 1 1 342.428 0.944 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001002448606 747357159 /nfs/dbraw/zinc/35/71/59/747357159.db2.gz BWCOQKPROGJHAG-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001002451357 747362065 /nfs/dbraw/zinc/36/20/65/747362065.db2.gz PLPQFOWRNUAJBT-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)NC)CC[C@@H]3C2)c1 ZINC001088100105 747386884 /nfs/dbraw/zinc/38/68/84/747386884.db2.gz UKUHSLFZFODYDM-LXZKKBNFSA-N 1 1 340.427 0.591 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@H]2C1 ZINC001088104330 747390957 /nfs/dbraw/zinc/39/09/57/747390957.db2.gz DRAXFWCBWJHMOY-LTIDMASMSA-N 1 1 347.459 0.426 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@H]2C1 ZINC001088104647 747393598 /nfs/dbraw/zinc/39/35/98/747393598.db2.gz SLLRMBDJWZLAFS-LTIDMASMSA-N 1 1 347.459 0.426 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001002485997 747420842 /nfs/dbraw/zinc/42/08/42/747420842.db2.gz MFGQKTJFHSGIQU-JKSUJKDBSA-N 1 1 333.432 0.180 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001002485997 747420844 /nfs/dbraw/zinc/42/08/44/747420844.db2.gz MFGQKTJFHSGIQU-JKSUJKDBSA-N 1 1 333.432 0.180 20 30 ECEDMO C[C@H]([NH2+]Cc1cc(F)ccc1C#N)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979231843 747430990 /nfs/dbraw/zinc/43/09/90/747430990.db2.gz DNZDOTDMISOEIF-NHYWBVRUSA-N 1 1 348.378 0.278 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000979253191 747441479 /nfs/dbraw/zinc/44/14/79/747441479.db2.gz RONQRNWYDFSMKL-SCRDCRAPSA-N 1 1 347.394 0.271 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000979253191 747441483 /nfs/dbraw/zinc/44/14/83/747441483.db2.gz RONQRNWYDFSMKL-SCRDCRAPSA-N 1 1 347.394 0.271 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3(n4cnnn4)CCOCC3)C[C@@H]2C1 ZINC001088136306 747467865 /nfs/dbraw/zinc/46/78/65/747467865.db2.gz FPTOBOZLBBEPSA-CABCVRRESA-N 1 1 346.435 0.145 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNCc3nonc3C)C2)CC1 ZINC000985151341 747470057 /nfs/dbraw/zinc/47/00/57/747470057.db2.gz XEISFJYWZSXPFU-KOMQPUFPSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C[C@@H]2C1 ZINC001088136688 747472217 /nfs/dbraw/zinc/47/22/17/747472217.db2.gz BIEQMIPHJCWQQU-QLFBSQMISA-N 1 1 341.477 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C)OCC1CC1 ZINC001075840752 747495886 /nfs/dbraw/zinc/49/58/86/747495886.db2.gz ZYIYPIBFPFOMBQ-ZOBUZTSGSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C)OCC1CC1 ZINC001075840752 747495888 /nfs/dbraw/zinc/49/58/88/747495888.db2.gz ZYIYPIBFPFOMBQ-ZOBUZTSGSA-N 1 1 349.475 0.910 20 30 ECEDMO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CSCC#N)[C@H](C)C1 ZINC001101736207 752186983 /nfs/dbraw/zinc/18/69/83/752186983.db2.gz SMMITFSAGACLCS-ZIAGYGMSSA-N 1 1 340.493 0.794 20 30 ECEDMO C[C@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979289258 747518997 /nfs/dbraw/zinc/51/89/97/747518997.db2.gz HINZJAAMXKHGBV-NHYWBVRUSA-N 1 1 343.391 0.034 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001027763104 747537169 /nfs/dbraw/zinc/53/71/69/747537169.db2.gz BFDPNVGBCTWEBN-GOEBONIOSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001027763104 747537171 /nfs/dbraw/zinc/53/71/71/747537171.db2.gz BFDPNVGBCTWEBN-GOEBONIOSA-N 1 1 345.447 0.953 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncccn1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979287133 747539411 /nfs/dbraw/zinc/53/94/11/747539411.db2.gz DGDPIMBZNBWWGA-IUODEOHRSA-N 1 1 340.387 0.696 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cnccc3=O)C[C@@H]2C1 ZINC001088155432 747544710 /nfs/dbraw/zinc/54/47/10/747544710.db2.gz MZNHINDTLFZOAU-CVEARBPZSA-N 1 1 328.416 0.437 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)NC(C)=O)C[C@]2(C)C1 ZINC001101395878 747548940 /nfs/dbraw/zinc/54/89/40/747548940.db2.gz VDYHJMCMAMPOFT-QAPCUYQASA-N 1 1 337.464 0.884 20 30 ECEDMO CCn1cc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 ZINC000979296376 747560769 /nfs/dbraw/zinc/56/07/69/747560769.db2.gz CSUAVYHNBBBOSF-CZUORRHYSA-N 1 1 331.420 0.417 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]2C1 ZINC001088192156 747711320 /nfs/dbraw/zinc/71/13/20/747711320.db2.gz MOQHQHQXKNJHFS-OLZOCXBDSA-N 1 1 336.823 0.927 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(-n4cncn4)c3)C[C@@H]2C1 ZINC001088219889 747764709 /nfs/dbraw/zinc/76/47/09/747764709.db2.gz BEPGVSBBOLUTFM-CVEARBPZSA-N 1 1 336.399 0.689 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088223182 747770104 /nfs/dbraw/zinc/77/01/04/747770104.db2.gz QKZZAIOQWFRLSX-AGIUHOORSA-N 1 1 339.823 0.572 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088223182 747770105 /nfs/dbraw/zinc/77/01/05/747770105.db2.gz QKZZAIOQWFRLSX-AGIUHOORSA-N 1 1 339.823 0.572 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC001088226697 747773634 /nfs/dbraw/zinc/77/36/34/747773634.db2.gz VMCBNXYLMBRMFY-QGZVFWFLSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 ZINC001088229307 747780101 /nfs/dbraw/zinc/78/01/01/747780101.db2.gz NHNXCWXOAZQCEX-SJORKVTESA-N 1 1 336.432 0.365 20 30 ECEDMO CNC(=O)C[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001088230582 747783855 /nfs/dbraw/zinc/78/38/55/747783855.db2.gz UHTXGMQJMULSAO-UKRRQHHQSA-N 1 1 336.436 0.222 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001088230582 747783859 /nfs/dbraw/zinc/78/38/59/747783859.db2.gz UHTXGMQJMULSAO-UKRRQHHQSA-N 1 1 336.436 0.222 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001088233118 747789758 /nfs/dbraw/zinc/78/97/58/747789758.db2.gz IHOZOPBGNFHFQF-MRXNPFEDSA-N 1 1 345.447 0.782 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC001088233674 747796513 /nfs/dbraw/zinc/79/65/13/747796513.db2.gz WYBYFVIFWZHSIG-SJORKVTESA-N 1 1 347.459 0.427 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001088237154 747841131 /nfs/dbraw/zinc/84/11/31/747841131.db2.gz MFCPFYGBXWFABS-MRXNPFEDSA-N 1 1 347.459 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnnc(C)c2)C1 ZINC001002828944 747843497 /nfs/dbraw/zinc/84/34/97/747843497.db2.gz IWABDGOCUMQAIT-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnnc(C)c2)C1 ZINC001002828944 747843503 /nfs/dbraw/zinc/84/35/03/747843503.db2.gz IWABDGOCUMQAIT-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccn(C)c2)C1 ZINC001002829318 747844614 /nfs/dbraw/zinc/84/46/14/747844614.db2.gz KBUJZFAZCXWAAM-INIZCTEOSA-N 1 1 328.416 0.311 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccn(C)c2)C1 ZINC001002829318 747844623 /nfs/dbraw/zinc/84/46/23/747844623.db2.gz KBUJZFAZCXWAAM-INIZCTEOSA-N 1 1 328.416 0.311 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001088238296 747857121 /nfs/dbraw/zinc/85/71/21/747857121.db2.gz QOIBGBYJZDRWCK-QGZVFWFLSA-N 1 1 330.432 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c(C)cnn2C)C1 ZINC001002836323 747858714 /nfs/dbraw/zinc/85/87/14/747858714.db2.gz VGVNSWWFURZIKL-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c(C)cnn2C)C1 ZINC001002836323 747858725 /nfs/dbraw/zinc/85/87/25/747858725.db2.gz VGVNSWWFURZIKL-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)C3=COCCO3)C2)C1=O ZINC001029637766 747944748 /nfs/dbraw/zinc/94/47/48/747944748.db2.gz HMUPSKMIPVBXPW-GJZGRUSLSA-N 1 1 349.431 0.442 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001029641909 747960989 /nfs/dbraw/zinc/96/09/89/747960989.db2.gz RSDSWCZQRVWSLV-AWEZNQCLSA-N 1 1 339.403 0.525 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3cnn(C)c3)C2)C1=O ZINC001029643423 747965167 /nfs/dbraw/zinc/96/51/67/747965167.db2.gz RCGAPGMUSKRMBV-HOCLYGCPSA-N 1 1 345.447 0.601 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)C1=O ZINC001029658710 747992340 /nfs/dbraw/zinc/99/23/40/747992340.db2.gz XMTVRLZALBIISH-ZFWWWQNUSA-N 1 1 331.420 0.591 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001029658710 747992343 /nfs/dbraw/zinc/99/23/43/747992343.db2.gz XMTVRLZALBIISH-ZFWWWQNUSA-N 1 1 331.420 0.591 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001029658710 747992349 /nfs/dbraw/zinc/99/23/49/747992349.db2.gz XMTVRLZALBIISH-ZFWWWQNUSA-N 1 1 331.420 0.591 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001003045467 748113263 /nfs/dbraw/zinc/11/32/63/748113263.db2.gz WQCCGWFNYHMTBY-PMPSAXMXSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000979609558 748117052 /nfs/dbraw/zinc/11/70/52/748117052.db2.gz YXRKEMKQKWKOSY-RBSFLKMASA-N 1 1 335.448 0.684 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000979609558 748117058 /nfs/dbraw/zinc/11/70/58/748117058.db2.gz YXRKEMKQKWKOSY-RBSFLKMASA-N 1 1 335.448 0.684 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nc(C)no2)CC1 ZINC001003056934 748125628 /nfs/dbraw/zinc/12/56/28/748125628.db2.gz WHBQAQYWZPSHAC-HNNXBMFYSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nc(C)no2)CC1 ZINC001003056934 748125630 /nfs/dbraw/zinc/12/56/30/748125630.db2.gz WHBQAQYWZPSHAC-HNNXBMFYSA-N 1 1 331.420 0.556 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@H]1CCC(=O)NC1=O ZINC001029712158 748138138 /nfs/dbraw/zinc/13/81/38/748138138.db2.gz LKCLKCLCUCZIIU-FZMZJTMJSA-N 1 1 343.387 0.085 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)CC(C)(C)O)C2)C1=O ZINC001029721585 748153964 /nfs/dbraw/zinc/15/39/64/748153964.db2.gz BLOXKCSZQOJFMY-CABCVRRESA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001075855687 748163498 /nfs/dbraw/zinc/16/34/98/748163498.db2.gz OHPFHJNIIWBBOO-ARFHVFGLSA-N 1 1 335.448 0.590 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979666432 748188162 /nfs/dbraw/zinc/18/81/62/748188162.db2.gz UUEZWWRYXUOODH-ZNEHSRBWSA-N 1 1 343.431 0.709 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001027825565 748199393 /nfs/dbraw/zinc/19/93/93/748199393.db2.gz BYZOFGJRAFFOSA-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cnsn2)C1 ZINC001029757853 748269759 /nfs/dbraw/zinc/26/97/59/748269759.db2.gz JQWNXICLHKSPJW-HOCLYGCPSA-N 1 1 347.488 0.916 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cnsn2)C1 ZINC001029757853 748269762 /nfs/dbraw/zinc/26/97/62/748269762.db2.gz JQWNXICLHKSPJW-HOCLYGCPSA-N 1 1 347.488 0.916 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2sccc2-n2cnnn2)CC1 ZINC000985517060 748374753 /nfs/dbraw/zinc/37/47/53/748374753.db2.gz FKKJBQOKWHUDBK-UHFFFAOYSA-N 1 1 330.417 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC000979789900 748421699 /nfs/dbraw/zinc/42/16/99/748421699.db2.gz JGYCHSWOHADHEN-DZKIICNBSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC000979789900 748421704 /nfs/dbraw/zinc/42/17/04/748421704.db2.gz JGYCHSWOHADHEN-DZKIICNBSA-N 1 1 343.431 0.142 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(=O)CCC)C2)nn1 ZINC001098630441 748432559 /nfs/dbraw/zinc/43/25/59/748432559.db2.gz SBXBNLCBPAGIJO-CQSZACIVSA-N 1 1 334.424 0.243 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3n[nH]nc3C)C2)C1=O ZINC001029799500 748466153 /nfs/dbraw/zinc/46/61/53/748466153.db2.gz YRDXLJKXGKFGPZ-KBPBESRZSA-N 1 1 346.435 0.294 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001029799500 748466166 /nfs/dbraw/zinc/46/61/66/748466166.db2.gz YRDXLJKXGKFGPZ-KBPBESRZSA-N 1 1 346.435 0.294 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3csnn3)CC2)C1=O ZINC000985560081 748517623 /nfs/dbraw/zinc/51/76/23/748517623.db2.gz FNKNUWJHCHGXHK-AWEZNQCLSA-N 1 1 349.460 0.861 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)[C@@H]1CCNC1=O ZINC001003427703 748543154 /nfs/dbraw/zinc/54/31/54/748543154.db2.gz MOPCUPRGPFIWIS-QGZVFWFLSA-N 1 1 343.402 0.894 20 30 ECEDMO Cn1nnc(C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)n1 ZINC001003452077 748568319 /nfs/dbraw/zinc/56/83/19/748568319.db2.gz DAEWKBAVKCELNL-UHFFFAOYSA-N 1 1 325.376 0.476 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001003472268 748589601 /nfs/dbraw/zinc/58/96/01/748589601.db2.gz ZVHKTPHIAADUAR-CXAGYDPISA-N 1 1 340.427 0.591 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cnnn3C)C2)c1 ZINC001029835269 748668245 /nfs/dbraw/zinc/66/82/45/748668245.db2.gz OTQPDWRPBXPNHW-HNNXBMFYSA-N 1 1 338.415 0.786 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nccc(C)n2)C1=O ZINC001027852117 748681877 /nfs/dbraw/zinc/68/18/77/748681877.db2.gz AKWXAQBAJAJFIO-CABCVRRESA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nccc(C)n2)C1=O ZINC001027852117 748681879 /nfs/dbraw/zinc/68/18/79/748681879.db2.gz AKWXAQBAJAJFIO-CABCVRRESA-N 1 1 343.431 0.766 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CS(=O)(=O)C3)C[C@H]2C1 ZINC000979977629 748754043 /nfs/dbraw/zinc/75/40/43/748754043.db2.gz GJTLVRMVSROCHW-SOUVJXGZSA-N 1 1 326.462 0.824 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001003650417 748763313 /nfs/dbraw/zinc/76/33/13/748763313.db2.gz SKDAVDQLOAYMMG-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)C1=O ZINC001029852893 748830564 /nfs/dbraw/zinc/83/05/64/748830564.db2.gz JJPJADWGWFQYSR-ZBFHGGJFSA-N 1 1 345.447 0.519 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000980020050 748835093 /nfs/dbraw/zinc/83/50/93/748835093.db2.gz DSGABDUUKJAZLT-XNRPHZJLSA-N 1 1 343.431 0.995 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059621223 748855562 /nfs/dbraw/zinc/85/55/62/748855562.db2.gz RJHZHKOAOBWTQR-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059621223 748855566 /nfs/dbraw/zinc/85/55/66/748855566.db2.gz RJHZHKOAOBWTQR-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(Cc2ccc(OCC#N)cc2)C1 ZINC001030153206 761896348 /nfs/dbraw/zinc/89/63/48/761896348.db2.gz ASMHLWNELOBXME-QGZVFWFLSA-N 1 1 328.416 0.984 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3nonc3C)CC2)nn1 ZINC000985695037 748882159 /nfs/dbraw/zinc/88/21/59/748882159.db2.gz KPLJKRHKXCEJFG-UHFFFAOYSA-N 1 1 345.407 0.892 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@@H+](C)Cc3nonc3C)CC2)nn1 ZINC000985695037 748882163 /nfs/dbraw/zinc/88/21/63/748882163.db2.gz KPLJKRHKXCEJFG-UHFFFAOYSA-N 1 1 345.407 0.892 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817212 748882337 /nfs/dbraw/zinc/88/23/37/748882337.db2.gz BCYUEAQTMGUHOH-HNNXBMFYSA-N 1 1 343.468 0.247 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnnn2C)CC1 ZINC001003780924 748887149 /nfs/dbraw/zinc/88/71/49/748887149.db2.gz XJAZSQFDOUYFIL-HOTGVXAUSA-N 1 1 333.436 0.877 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000980080124 748948070 /nfs/dbraw/zinc/94/80/70/748948070.db2.gz AVRSLRMYLIGAKM-QRTARXTBSA-N 1 1 340.427 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000980081907 748951354 /nfs/dbraw/zinc/95/13/54/748951354.db2.gz OJBQSUQTBGCIGZ-BFYDXBDKSA-N 1 1 340.427 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027879565 748979809 /nfs/dbraw/zinc/97/98/09/748979809.db2.gz UUFNJDXETZQSGZ-ZIAGYGMSSA-N 1 1 331.420 0.919 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3nncn3C)CC2)cn1 ZINC000985758152 749026066 /nfs/dbraw/zinc/02/60/66/749026066.db2.gz VNVGHSLROWGILD-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3nncn3C)CC2)cn1 ZINC000985758152 749026067 /nfs/dbraw/zinc/02/60/67/749026067.db2.gz VNVGHSLROWGILD-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000980133863 749039108 /nfs/dbraw/zinc/03/91/08/749039108.db2.gz IDCAAROLIWQYPY-GQGLESIBSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000980133863 749039113 /nfs/dbraw/zinc/03/91/13/749039113.db2.gz IDCAAROLIWQYPY-GQGLESIBSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC1 ZINC000985771118 749054711 /nfs/dbraw/zinc/05/47/11/749054711.db2.gz CSDLDYRAYPOIOY-UHFFFAOYSA-N 1 1 325.372 0.900 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001003936573 749062105 /nfs/dbraw/zinc/06/21/05/749062105.db2.gz KHHUHGSYYXEHRX-AWEZNQCLSA-N 1 1 344.415 0.729 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4nnnn4c3)C[C@@H]2C1 ZINC000980144618 749062243 /nfs/dbraw/zinc/06/22/43/749062243.db2.gz PMGLNLYLDUINOC-NUEKZKHPSA-N 1 1 338.415 0.978 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]2C1 ZINC000980153328 749078068 /nfs/dbraw/zinc/07/80/68/749078068.db2.gz WABUPUAWWBWQQM-MJBXVCDLSA-N 1 1 328.416 0.967 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001059648454 749114807 /nfs/dbraw/zinc/11/48/07/749114807.db2.gz SSOSBPPGPHEFLU-CVEARBPZSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccoc3CC(N)=O)C[C@@H]2C1 ZINC000980174128 749122682 /nfs/dbraw/zinc/12/26/82/749122682.db2.gz PPULLPPFUFYEGQ-BFHYXJOUSA-N 1 1 329.400 0.771 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC000980194419 749129174 /nfs/dbraw/zinc/12/91/74/749129174.db2.gz QRXBWMAVBXPCMW-KKUMJFAQSA-N 1 1 348.447 0.721 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 ZINC000980206194 749182470 /nfs/dbraw/zinc/18/24/70/749182470.db2.gz GGVPLDICOGABRS-RRFJBIMHSA-N 1 1 346.431 0.120 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 ZINC000980206196 749182491 /nfs/dbraw/zinc/18/24/91/749182491.db2.gz GGVPLDICOGABRS-ZNMIVQPWSA-N 1 1 346.431 0.120 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC000980219784 749216171 /nfs/dbraw/zinc/21/61/71/749216171.db2.gz ONGDTTVZBFUBMA-KKUMJFAQSA-N 1 1 346.431 0.168 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]2C1 ZINC000980238240 749241514 /nfs/dbraw/zinc/24/15/14/749241514.db2.gz VMCOAGOGMVCJMV-IHRRRGAJSA-N 1 1 348.447 0.720 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ncccn3)C2)C1=O ZINC001029872879 749248238 /nfs/dbraw/zinc/24/82/38/749248238.db2.gz WNWDTFBJJRYQSI-HUUCEWRRSA-N 1 1 343.431 0.657 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC000980267586 749277456 /nfs/dbraw/zinc/27/74/56/749277456.db2.gz CEPSFBAKQSXFGQ-SJORKVTESA-N 1 1 325.412 0.632 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(OCC(N)=O)c1 ZINC001027917675 749397869 /nfs/dbraw/zinc/39/78/69/749397869.db2.gz IBSPPKZEBNQTKV-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001059679703 749409079 /nfs/dbraw/zinc/40/90/79/749409079.db2.gz OTDBKNMKCQRJHN-GDBMZVCRSA-N 1 1 346.431 0.585 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)cn3)[C@H]2C)C1=O ZINC001088454223 749430757 /nfs/dbraw/zinc/43/07/57/749430757.db2.gz CWNDVZJHHKGGPB-YCPHGPKFSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(C)cn3)[C@H]2C)C1=O ZINC001088454223 749430761 /nfs/dbraw/zinc/43/07/61/749430761.db2.gz CWNDVZJHHKGGPB-YCPHGPKFSA-N 1 1 343.431 0.765 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC(N)=O)CC2)c[nH]1 ZINC001004422216 749479072 /nfs/dbraw/zinc/47/90/72/749479072.db2.gz WMKDNBBCMYMUMJ-OAHLLOKOSA-N 1 1 329.404 0.688 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001029896574 749500081 /nfs/dbraw/zinc/50/00/81/749500081.db2.gz GPIGGEPOVNUCDL-MAUKXSAKSA-N 1 1 339.439 0.879 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC000980404934 749503790 /nfs/dbraw/zinc/50/37/90/749503790.db2.gz FGVBWWCVVWCOIO-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO CCc1nc(NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)cc(C)[nH+]1 ZINC001105809170 761957623 /nfs/dbraw/zinc/95/76/23/761957623.db2.gz XCOQWIAYABBAHI-LBPRGKRZSA-N 1 1 328.376 0.750 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001004471590 749539845 /nfs/dbraw/zinc/53/98/45/749539845.db2.gz AXSMXCHLUYMIET-MRXNPFEDSA-N 1 1 345.447 0.308 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3ccc[nH]3)C2)C1=O ZINC000980453503 749585559 /nfs/dbraw/zinc/58/55/59/749585559.db2.gz BBKFCNCMVQBMNB-HOTGVXAUSA-N 1 1 330.432 0.877 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC000986132944 749601083 /nfs/dbraw/zinc/60/10/83/749601083.db2.gz LQADUADYJKEKOG-SMDDNHRTSA-N 1 1 327.392 0.891 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCCNc2ccncc2C#N)C1 ZINC001114946523 749679981 /nfs/dbraw/zinc/67/99/81/749679981.db2.gz ODWZYQIKHDITHP-PBHICJAKSA-N 1 1 345.447 0.793 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCCNc2ccncc2C#N)C1 ZINC001114946523 749679983 /nfs/dbraw/zinc/67/99/83/749679983.db2.gz ODWZYQIKHDITHP-PBHICJAKSA-N 1 1 345.447 0.793 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O ZINC000980539433 749708899 /nfs/dbraw/zinc/70/88/99/749708899.db2.gz QWQXTLBLMMRSMV-HUUCEWRRSA-N 1 1 331.420 0.203 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004637830 749717482 /nfs/dbraw/zinc/71/74/82/749717482.db2.gz XHPJGGBXQZSJJC-GJZGRUSLSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3[nH]cnc3C)C2)C1=O ZINC000980567658 749808518 /nfs/dbraw/zinc/80/85/18/749808518.db2.gz VCGVZRBAVRSJSL-UONOGXRCSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001027953344 749832880 /nfs/dbraw/zinc/83/28/80/749832880.db2.gz LUNQMBMWJVXYPN-STQMWFEESA-N 1 1 347.419 0.405 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000980599841 749848772 /nfs/dbraw/zinc/84/87/72/749848772.db2.gz JLPVHKBNKKBBFQ-OVYGPGRDSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000980599841 749848778 /nfs/dbraw/zinc/84/87/78/749848778.db2.gz JLPVHKBNKKBBFQ-OVYGPGRDSA-N 1 1 347.459 0.663 20 30 ECEDMO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001004810359 749896383 /nfs/dbraw/zinc/89/63/83/749896383.db2.gz POTHPSTUGLHZFK-SMDDNHRTSA-N 1 1 342.407 0.583 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001004810354 749896763 /nfs/dbraw/zinc/89/67/63/749896763.db2.gz POTHPSTUGLHZFK-BXUZGUMPSA-N 1 1 342.407 0.583 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000980681475 749951535 /nfs/dbraw/zinc/95/15/35/749951535.db2.gz UTLCQVIEICJNGW-UHFFFAOYSA-N 1 1 325.376 0.279 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000980681475 749951540 /nfs/dbraw/zinc/95/15/40/749951540.db2.gz UTLCQVIEICJNGW-UHFFFAOYSA-N 1 1 325.376 0.279 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088495155 749988842 /nfs/dbraw/zinc/98/88/42/749988842.db2.gz DHBMGOYIVZECIG-UHOFOFEASA-N 1 1 326.400 0.916 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@H+]1Cc1ccccc1C#N ZINC001088495155 749988847 /nfs/dbraw/zinc/98/88/47/749988847.db2.gz DHBMGOYIVZECIG-UHOFOFEASA-N 1 1 326.400 0.916 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058843694 750028641 /nfs/dbraw/zinc/02/86/41/750028641.db2.gz ISBLBRTVVJOSQY-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC001029956300 750069164 /nfs/dbraw/zinc/06/91/64/750069164.db2.gz NAAXILUZWIYWMH-MRXNPFEDSA-N 1 1 343.431 0.901 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001058849067 750168736 /nfs/dbraw/zinc/16/87/36/750168736.db2.gz NYVNRMRGDCJEPW-CVEARBPZSA-N 1 1 337.464 0.315 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3ccccc3Cl)C2)C1 ZINC001030184882 762014122 /nfs/dbraw/zinc/01/41/22/762014122.db2.gz YNVWCVGCBTZXPW-KRWDZBQOSA-N 1 1 347.846 0.823 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3ccccc3Cl)C2)C1 ZINC001030184882 762014131 /nfs/dbraw/zinc/01/41/31/762014131.db2.gz YNVWCVGCBTZXPW-KRWDZBQOSA-N 1 1 347.846 0.823 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088505341 750186669 /nfs/dbraw/zinc/18/66/69/750186669.db2.gz FHTBWYIAOAXSQP-JLSDUUJJSA-N 1 1 342.443 0.968 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059732339 750198077 /nfs/dbraw/zinc/19/80/77/750198077.db2.gz PKNZHFOPIVUYES-BRWVUGGUSA-N 1 1 349.475 0.721 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000980839519 750245506 /nfs/dbraw/zinc/24/55/06/750245506.db2.gz HWKFKMMMCUXHSF-LBPRGKRZSA-N 1 1 335.408 0.011 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000980839519 750245511 /nfs/dbraw/zinc/24/55/11/750245511.db2.gz HWKFKMMMCUXHSF-LBPRGKRZSA-N 1 1 335.408 0.011 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001027994672 750265190 /nfs/dbraw/zinc/26/51/90/750265190.db2.gz SWKRMZUXSVYAJA-LLVKDONJSA-N 1 1 327.406 0.697 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059738469 750280887 /nfs/dbraw/zinc/28/08/87/750280887.db2.gz WYMPPHQPXYFFQN-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059738469 750280891 /nfs/dbraw/zinc/28/08/91/750280891.db2.gz WYMPPHQPXYFFQN-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ncccn3)C2)nn1 ZINC001105348040 750345990 /nfs/dbraw/zinc/34/59/90/750345990.db2.gz SZKHICGTCLIXIJ-UHFFFAOYSA-N 1 1 327.392 0.360 20 30 ECEDMO Cc1nsc(N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001058857191 750351462 /nfs/dbraw/zinc/35/14/62/750351462.db2.gz MFADMBKILNXQBH-AAEUAGOBSA-N 1 1 335.433 0.667 20 30 ECEDMO Cc1nsc(N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001058857191 750351467 /nfs/dbraw/zinc/35/14/67/750351467.db2.gz MFADMBKILNXQBH-AAEUAGOBSA-N 1 1 335.433 0.667 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nonc3C)[C@@H]2C)nn1 ZINC000987132905 750526958 /nfs/dbraw/zinc/52/69/58/750526958.db2.gz IZUWUPUYPRMFOQ-RYUDHWBXSA-N 1 1 331.380 0.548 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+]Cc2nc(CCC)no2)nn1 ZINC001167838294 750529965 /nfs/dbraw/zinc/52/99/65/750529965.db2.gz CXPFTENGODGKDA-UHFFFAOYSA-N 1 1 333.396 0.709 20 30 ECEDMO Cc1cc(N(C)CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001105355323 750532816 /nfs/dbraw/zinc/53/28/16/750532816.db2.gz KOVMIBJHBOKIAI-INIZCTEOSA-N 1 1 331.420 0.487 20 30 ECEDMO Cc1cc(N(C)CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001105355323 750532819 /nfs/dbraw/zinc/53/28/19/750532819.db2.gz KOVMIBJHBOKIAI-INIZCTEOSA-N 1 1 331.420 0.487 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC000981281508 750539208 /nfs/dbraw/zinc/53/92/08/750539208.db2.gz DOGYXKVTTBNQLO-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC000981281508 750539211 /nfs/dbraw/zinc/53/92/11/750539211.db2.gz DOGYXKVTTBNQLO-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)n1 ZINC001028079053 750558314 /nfs/dbraw/zinc/55/83/14/750558314.db2.gz YKSJSPXDZMQDKR-CQSZACIVSA-N 1 1 325.376 0.476 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)[C@H]2C)nn1 ZINC000987165488 750559398 /nfs/dbraw/zinc/55/93/98/750559398.db2.gz DUAIIDAJJMBITB-DGCLKSJQSA-N 1 1 331.380 0.630 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000981364925 750627937 /nfs/dbraw/zinc/62/79/37/750627937.db2.gz BCOLAUNOYMCLSA-HOTGVXAUSA-N 1 1 334.464 0.095 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000981364925 750627942 /nfs/dbraw/zinc/62/79/42/750627942.db2.gz BCOLAUNOYMCLSA-HOTGVXAUSA-N 1 1 334.464 0.095 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001005867423 750746052 /nfs/dbraw/zinc/74/60/52/750746052.db2.gz RXNUURKHXSYFOQ-LBPRGKRZSA-N 1 1 340.387 0.668 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C)nn1 ZINC000987468416 750885107 /nfs/dbraw/zinc/88/51/07/750885107.db2.gz LHEZPZBWOUWVAP-IPYPFGDCSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)c4cocn4)C3)C2)C1=O ZINC000981664365 750931649 /nfs/dbraw/zinc/93/16/49/750931649.db2.gz WMIRGABAOXDSSY-OAHLLOKOSA-N 1 1 344.415 1.000 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC000981667690 750947816 /nfs/dbraw/zinc/94/78/16/750947816.db2.gz XBPAYLZCEVATPU-MSOLQXFVSA-N 1 1 349.475 0.424 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC000981667690 750947819 /nfs/dbraw/zinc/94/78/19/750947819.db2.gz XBPAYLZCEVATPU-MSOLQXFVSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2n[nH]cc2C)C1 ZINC001006052146 750967206 /nfs/dbraw/zinc/96/72/06/750967206.db2.gz HMRPXNOLDWCQRK-HIFRSBDPSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2n[nH]cc2C)C1 ZINC001006052146 750967209 /nfs/dbraw/zinc/96/72/09/750967209.db2.gz HMRPXNOLDWCQRK-HIFRSBDPSA-N 1 1 343.431 0.392 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)C1=O ZINC000981722176 751014404 /nfs/dbraw/zinc/01/44/04/751014404.db2.gz NNIXTCIBECNLGI-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001006109720 751023150 /nfs/dbraw/zinc/02/31/50/751023150.db2.gz BBAFVUWOBTVNPT-YPMHNXCESA-N 1 1 329.404 0.415 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001006110499 751024166 /nfs/dbraw/zinc/02/41/66/751024166.db2.gz CWDPPMZDEBZVTB-NWDGAFQWSA-N 1 1 329.404 0.415 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001028122183 751085120 /nfs/dbraw/zinc/08/51/20/751085120.db2.gz SWVDPTWPEWMPOL-DGCLKSJQSA-N 1 1 335.383 0.530 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001028122183 751085127 /nfs/dbraw/zinc/08/51/27/751085127.db2.gz SWVDPTWPEWMPOL-DGCLKSJQSA-N 1 1 335.383 0.530 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000981798036 751122374 /nfs/dbraw/zinc/12/23/74/751122374.db2.gz PLZQBNNYKNORJC-CQSZACIVSA-N 1 1 331.416 0.472 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c(C#N)cn1 ZINC001059824713 751123941 /nfs/dbraw/zinc/12/39/41/751123941.db2.gz JECVHPLOWDMJTO-BQDHKBFISA-N 1 1 327.432 0.940 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc(C)on2)C1 ZINC001006319471 751241865 /nfs/dbraw/zinc/24/18/65/751241865.db2.gz LMOVDAPRPFIUSM-CJNGLKHVSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc(C)on2)C1 ZINC001006319471 751241868 /nfs/dbraw/zinc/24/18/68/751241868.db2.gz LMOVDAPRPFIUSM-CJNGLKHVSA-N 1 1 344.415 0.657 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000981910409 751264673 /nfs/dbraw/zinc/26/46/73/751264673.db2.gz ZUNIOXKTCJGKLK-YESZJQIVSA-N 1 1 332.444 0.986 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[N@@H+](C[C@H](O)CN3CCCC3=O)CC2)C1 ZINC000981917693 751266326 /nfs/dbraw/zinc/26/63/26/751266326.db2.gz AXYOQQBWHIPMTL-INIZCTEOSA-N 1 1 349.475 0.860 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)c4cnco4)C3)C2)C1=O ZINC000981924142 751278601 /nfs/dbraw/zinc/27/86/01/751278601.db2.gz YEYDXQHDECQDCW-AWEZNQCLSA-N 1 1 344.415 1.000 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)CN2C(=O)CNC2=O)CC1 ZINC001006378719 751314609 /nfs/dbraw/zinc/31/46/09/751314609.db2.gz ZQIFUKAXSBBGGM-UHFFFAOYSA-N 1 1 328.800 0.214 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001020904188 752315199 /nfs/dbraw/zinc/31/51/99/752315199.db2.gz PUYQTJUKAPFWPV-HDJSIYSDSA-N 1 1 328.351 0.795 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000988610316 752370266 /nfs/dbraw/zinc/37/02/66/752370266.db2.gz FYWOPIONGSSELJ-FZMZJTMJSA-N 1 1 327.392 0.891 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001059909828 752394573 /nfs/dbraw/zinc/39/45/73/752394573.db2.gz DGXBAEKXNVXVLY-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001059909989 752397056 /nfs/dbraw/zinc/39/70/56/752397056.db2.gz FWKPHXJQFRGCOR-DZGCQCFKSA-N 1 1 328.420 0.775 20 30 ECEDMO COCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1OC ZINC001211747830 752429401 /nfs/dbraw/zinc/42/94/01/752429401.db2.gz AJFSMPIDYFMAHY-HZPDHXFCSA-N 1 1 333.388 0.551 20 30 ECEDMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1OC ZINC001211747830 752429404 /nfs/dbraw/zinc/42/94/04/752429404.db2.gz AJFSMPIDYFMAHY-HZPDHXFCSA-N 1 1 333.388 0.551 20 30 ECEDMO COCCN(CCNC(=O)C[N@@H+](C)C(C)C)c1nccnc1C#N ZINC001126360278 752432166 /nfs/dbraw/zinc/43/21/66/752432166.db2.gz DWDVORHBDRLBTD-UHFFFAOYSA-N 1 1 334.424 0.257 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001059911482 752458412 /nfs/dbraw/zinc/45/84/12/752458412.db2.gz LJEILFKVMMAOKI-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001059911482 752458415 /nfs/dbraw/zinc/45/84/15/752458415.db2.gz LJEILFKVMMAOKI-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2nonc2C)C1=O ZINC001028351707 752458839 /nfs/dbraw/zinc/45/88/39/752458839.db2.gz QFIRNNBTFGQMPJ-STQMWFEESA-N 1 1 333.392 0.359 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nonc2C)C1=O ZINC001028351707 752458844 /nfs/dbraw/zinc/45/88/44/752458844.db2.gz QFIRNNBTFGQMPJ-STQMWFEESA-N 1 1 333.392 0.359 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2[nH]cnc2C)C1=O ZINC001028353584 752473734 /nfs/dbraw/zinc/47/37/34/752473734.db2.gz YLHPHWDMGJCVSZ-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2[nH]cnc2C)C1=O ZINC001028353584 752473738 /nfs/dbraw/zinc/47/37/38/752473738.db2.gz YLHPHWDMGJCVSZ-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988654645 752487327 /nfs/dbraw/zinc/48/73/27/752487327.db2.gz MGEVQZPMTDJMKB-ZYHUDNBSSA-N 1 1 340.391 0.601 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000937754910 752501371 /nfs/dbraw/zinc/50/13/71/752501371.db2.gz AVIXUQMOQRPNQX-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cccnc2)C1 ZINC000937830454 752543218 /nfs/dbraw/zinc/54/32/18/752543218.db2.gz CUEYZYIIVDCXFZ-IRXDYDNUSA-N 1 1 340.427 0.439 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2cccnc2)C1 ZINC000937830454 752543225 /nfs/dbraw/zinc/54/32/25/752543225.db2.gz CUEYZYIIVDCXFZ-IRXDYDNUSA-N 1 1 340.427 0.439 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001028420558 752591597 /nfs/dbraw/zinc/59/15/97/752591597.db2.gz MBAXGVVFGYAXSK-RHSMWYFYSA-N 1 1 329.400 0.912 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)ccc1F ZINC001028449228 752679282 /nfs/dbraw/zinc/67/92/82/752679282.db2.gz XTLKWQGBJVOAHY-CZUORRHYSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)/C=C/C3CC3)[C@H](OC)C2)C1=O ZINC001212086584 752717958 /nfs/dbraw/zinc/71/79/58/752717958.db2.gz CBDUDHFKMRISPR-DQFTWKJFSA-N 1 1 333.432 0.555 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)/C=C/C3CC3)[C@H](OC)C2)C1=O ZINC001212086584 752717962 /nfs/dbraw/zinc/71/79/62/752717962.db2.gz CBDUDHFKMRISPR-DQFTWKJFSA-N 1 1 333.432 0.555 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465799 752755988 /nfs/dbraw/zinc/75/59/88/752755988.db2.gz MZLKGNAUMGSNTA-ZWKOTPCHSA-N 1 1 342.443 0.827 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000982528459 752757614 /nfs/dbraw/zinc/75/76/14/752757614.db2.gz GSKGKFNCKMSGON-CABCVRRESA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000982528459 752757619 /nfs/dbraw/zinc/75/76/19/752757619.db2.gz GSKGKFNCKMSGON-CABCVRRESA-N 1 1 343.431 0.096 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001028470538 752772049 /nfs/dbraw/zinc/77/20/49/752772049.db2.gz LHFDLHMDCYJKRI-LBPRGKRZSA-N 1 1 340.387 0.937 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cc1=O ZINC001028491456 752835288 /nfs/dbraw/zinc/83/52/88/752835288.db2.gz YRKKEAHSLFPMDL-CQSZACIVSA-N 1 1 339.399 0.837 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001077457330 762163967 /nfs/dbraw/zinc/16/39/67/762163967.db2.gz KDPOLLCRSBQREG-NUEKZKHPSA-N 1 1 348.447 0.665 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cncnc3)C2)C1=O ZINC001028497447 752891890 /nfs/dbraw/zinc/89/18/90/752891890.db2.gz XQJVEZKYMVSFPX-HIFRSBDPSA-N 1 1 329.404 0.315 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001059930646 752893098 /nfs/dbraw/zinc/89/30/98/752893098.db2.gz GPNIRCPRTBRDQH-ZIAGYGMSSA-N 1 1 328.420 0.633 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)C#CC1CC1 ZINC000988810167 752912631 /nfs/dbraw/zinc/91/26/31/752912631.db2.gz ANSPCOLMMAMCHN-DOMZBBRYSA-N 1 1 344.415 0.869 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001028505797 752954335 /nfs/dbraw/zinc/95/43/35/752954335.db2.gz MUVCSJHUCILUDA-HNNXBMFYSA-N 1 1 340.427 0.975 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028519097 753016056 /nfs/dbraw/zinc/01/60/56/753016056.db2.gz JOVSXPSQHXRFBT-IUODEOHRSA-N 1 1 328.372 0.605 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)s1 ZINC001028519930 753047167 /nfs/dbraw/zinc/04/71/67/753047167.db2.gz WGKPQJILPMSAQG-ZWNOBZJWSA-N 1 1 334.401 0.666 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccon2)C(C)(C)C1 ZINC001007924151 753078904 /nfs/dbraw/zinc/07/89/04/753078904.db2.gz IGWCQNBPQMSJSN-LSDHHAIUSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccon2)C(C)(C)C1 ZINC001007924151 753078906 /nfs/dbraw/zinc/07/89/06/753078906.db2.gz IGWCQNBPQMSJSN-LSDHHAIUSA-N 1 1 344.415 0.739 20 30 ECEDMO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001059942009 753100473 /nfs/dbraw/zinc/10/04/73/753100473.db2.gz SXUZCOUILUETJI-OAHLLOKOSA-N 1 1 334.420 0.749 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001028548804 753110438 /nfs/dbraw/zinc/11/04/38/753110438.db2.gz HNJNKGHRUGNHMJ-IMJJTQAJSA-N 1 1 335.448 0.684 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1C ZINC001051495223 762207534 /nfs/dbraw/zinc/20/75/34/762207534.db2.gz SKVQPTULMXITRN-QWHCGFSZSA-N 1 1 334.424 0.415 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462737 753369650 /nfs/dbraw/zinc/36/96/50/753369650.db2.gz XQNNLNXDMACHRJ-JQHSSLGASA-N 1 1 333.476 0.826 20 30 ECEDMO CCCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)s1 ZINC001051495471 762208882 /nfs/dbraw/zinc/20/88/82/762208882.db2.gz VDRGBFZFXXQFFQ-NEPJUHHUSA-N 1 1 337.449 0.967 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C3CCN(C(N)=O)CC3)C[C@@]2(C)C1 ZINC000982785699 753563836 /nfs/dbraw/zinc/56/38/36/753563836.db2.gz ZTPOQJJYXJQCAC-KDURUIRLSA-N 1 1 346.475 0.971 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3c(C)n[nH]c3C)C2)nn1 ZINC001105371653 753567326 /nfs/dbraw/zinc/56/73/26/753567326.db2.gz UIKKHSAXAPSMKI-UHFFFAOYSA-N 1 1 343.435 0.910 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C(N)=O)cc3)C2)nn1 ZINC001105372469 753677400 /nfs/dbraw/zinc/67/74/00/753677400.db2.gz IRWVAFFBBNAGBB-UHFFFAOYSA-N 1 1 340.387 0.350 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCOC3)[C@@H](O)C2)cc1 ZINC001083361564 753678207 /nfs/dbraw/zinc/67/82/07/753678207.db2.gz UQBAZWBUOZJYCM-UAGQMJEPSA-N 1 1 345.399 0.287 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCOC3)[C@@H](O)C2)cc1 ZINC001083361564 753678212 /nfs/dbraw/zinc/67/82/12/753678212.db2.gz UQBAZWBUOZJYCM-UAGQMJEPSA-N 1 1 345.399 0.287 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001028593799 753763766 /nfs/dbraw/zinc/76/37/66/753763766.db2.gz UJNARUWRJXKJDM-UKRRQHHQSA-N 1 1 344.415 0.531 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC001008467271 753769653 /nfs/dbraw/zinc/76/96/53/753769653.db2.gz CMKJIMQACORBAI-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC001008467271 753769659 /nfs/dbraw/zinc/76/96/59/753769659.db2.gz CMKJIMQACORBAI-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]2O)c1 ZINC001083392574 753794047 /nfs/dbraw/zinc/79/40/47/753794047.db2.gz PBILDEWMKBPCOW-BMFZPTHFSA-N 1 1 332.404 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnon2)C(C)(C)C1 ZINC001008490649 753804275 /nfs/dbraw/zinc/80/42/75/753804275.db2.gz CPNZXNLTNHRCLD-UONOGXRCSA-N 1 1 345.403 0.134 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnon2)C(C)(C)C1 ZINC001008490649 753804281 /nfs/dbraw/zinc/80/42/81/753804281.db2.gz CPNZXNLTNHRCLD-UONOGXRCSA-N 1 1 345.403 0.134 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982818209 753848530 /nfs/dbraw/zinc/84/85/30/753848530.db2.gz ZDPOWWYSUKSMGI-CWRNSKLLSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982818209 753848537 /nfs/dbraw/zinc/84/85/37/753848537.db2.gz ZDPOWWYSUKSMGI-CWRNSKLLSA-N 1 1 326.462 0.920 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000982819801 753853557 /nfs/dbraw/zinc/85/35/57/753853557.db2.gz IWHCPLLSADUQOA-VNHYZAJKSA-N 1 1 343.431 0.805 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583137 753864356 /nfs/dbraw/zinc/86/43/56/753864356.db2.gz KPZYVSWRWDREAJ-CABCVRRESA-N 1 1 344.419 0.106 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001028600571 753874626 /nfs/dbraw/zinc/87/46/26/753874626.db2.gz AMQVEPZGUFLSFN-AEFFLSMTSA-N 1 1 343.475 0.764 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001028601639 753882285 /nfs/dbraw/zinc/88/22/85/753882285.db2.gz RURAMFOEJLVUTP-AEFFLSMTSA-N 1 1 343.475 0.498 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cn(C)c(=O)n3C)C[C@@]2(C)C1 ZINC000982842096 753952232 /nfs/dbraw/zinc/95/22/32/753952232.db2.gz LJQSXFMGWATVMD-HDICACEKSA-N 1 1 330.432 0.531 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)COCCCC)C[C@]2(C)C1 ZINC001101185616 762259132 /nfs/dbraw/zinc/25/91/32/762259132.db2.gz IWNXONHJIHCBHJ-FCEWJHQRSA-N 1 1 349.475 0.721 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCCNC3=O)CC2)nc1 ZINC000989507306 754049485 /nfs/dbraw/zinc/04/94/85/754049485.db2.gz MXJLMNHKQGKBHK-MRXNPFEDSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)nc1 ZINC000989507306 754049488 /nfs/dbraw/zinc/04/94/88/754049488.db2.gz MXJLMNHKQGKBHK-MRXNPFEDSA-N 1 1 326.400 0.489 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3ncnn3CC)C[C@H]2C)nn1 ZINC000989535642 754078947 /nfs/dbraw/zinc/07/89/47/754078947.db2.gz CWHGTARRMYJBTE-CHWSQXEVSA-N 1 1 344.423 0.468 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC001075944513 754112595 /nfs/dbraw/zinc/11/25/95/754112595.db2.gz DGZUORQDPBVNDQ-DZGCQCFKSA-N 1 1 338.473 0.920 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC001075944513 754112602 /nfs/dbraw/zinc/11/26/02/754112602.db2.gz DGZUORQDPBVNDQ-DZGCQCFKSA-N 1 1 338.473 0.920 20 30 ECEDMO CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000982908464 754153644 /nfs/dbraw/zinc/15/36/44/754153644.db2.gz HRYBBPDZJFGIQB-BRWVUGGUSA-N 1 1 347.459 0.331 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001028647087 754180716 /nfs/dbraw/zinc/18/07/16/754180716.db2.gz DYXODDUEZWFGOH-RYUDHWBXSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001028647087 754180720 /nfs/dbraw/zinc/18/07/20/754180720.db2.gz DYXODDUEZWFGOH-RYUDHWBXSA-N 1 1 344.253 0.859 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCO[C@H](C[NH2+]Cc3cscn3)C2)c1 ZINC001051526150 762277201 /nfs/dbraw/zinc/27/72/01/762277201.db2.gz GEHTWNKJVBFGSP-CYBMUJFWSA-N 1 1 331.401 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000982921979 754202849 /nfs/dbraw/zinc/20/28/49/754202849.db2.gz IKSXSYCEVYVIBF-OAGGEKHMSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000982921979 754202854 /nfs/dbraw/zinc/20/28/54/754202854.db2.gz IKSXSYCEVYVIBF-OAGGEKHMSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccncc2)C1 ZINC000982923472 754210357 /nfs/dbraw/zinc/21/03/57/754210357.db2.gz PJMOXGOMYJZDDW-WBVHZDCISA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccncc2)C1 ZINC000982923472 754210362 /nfs/dbraw/zinc/21/03/62/754210362.db2.gz PJMOXGOMYJZDDW-WBVHZDCISA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cncn2C)C1 ZINC000982948372 754266110 /nfs/dbraw/zinc/26/61/10/754266110.db2.gz RZKQHTIOMMFCRY-CABCVRRESA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cncn2C)C1 ZINC000982948372 754266113 /nfs/dbraw/zinc/26/61/13/754266113.db2.gz RZKQHTIOMMFCRY-CABCVRRESA-N 1 1 343.431 0.096 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C)c1 ZINC000989804361 754444237 /nfs/dbraw/zinc/44/42/37/754444237.db2.gz ULXZHHYWEOJHKN-XOKHGSTOSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC001105376983 754449928 /nfs/dbraw/zinc/44/99/28/754449928.db2.gz NWGBHMKSWFJCKQ-GASCZTMLSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC001105376983 754449934 /nfs/dbraw/zinc/44/99/34/754449934.db2.gz NWGBHMKSWFJCKQ-GASCZTMLSA-N 1 1 344.463 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cncn3C)C2)C1=O ZINC001028667535 754464286 /nfs/dbraw/zinc/46/42/86/754464286.db2.gz PXPHCDRXGJDLKH-KBPBESRZSA-N 1 1 331.420 0.259 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](NCc3cnns3)C[C@H]2C)CC1 ZINC000989828708 754497673 /nfs/dbraw/zinc/49/76/73/754497673.db2.gz HVAHUOUHFCOYBD-HIFRSBDPSA-N 1 1 347.488 0.962 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]CCn3cncn3)C[C@H]2C)CC1 ZINC000989829134 754498825 /nfs/dbraw/zinc/49/88/25/754498825.db2.gz OJKDCYYTDYYSJT-WBVHZDCISA-N 1 1 344.463 0.202 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001060002900 754585885 /nfs/dbraw/zinc/58/58/85/754585885.db2.gz FYUDGJOFJWOGFU-ZIAGYGMSSA-N 1 1 328.420 0.515 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001028675879 754592681 /nfs/dbraw/zinc/59/26/81/754592681.db2.gz HAGHRJQEZXVOPT-OAHLLOKOSA-N 1 1 348.447 0.908 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 ZINC001105872925 762317644 /nfs/dbraw/zinc/31/76/44/762317644.db2.gz FVZCOXAKPDBJPN-CABCVRRESA-N 1 1 346.435 0.420 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001105872913 762317687 /nfs/dbraw/zinc/31/76/87/762317687.db2.gz FKVUIXKOIPZHCX-UONOGXRCSA-N 1 1 332.408 0.112 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001060006685 754679135 /nfs/dbraw/zinc/67/91/35/754679135.db2.gz FJDORKGYYBLMLE-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001060006685 754679138 /nfs/dbraw/zinc/67/91/38/754679138.db2.gz FJDORKGYYBLMLE-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(F)cc2)C1 ZINC000990062853 754689931 /nfs/dbraw/zinc/68/99/31/754689931.db2.gz PQPALXZFSUISGH-INIZCTEOSA-N 1 1 329.375 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(F)cc2)C1 ZINC000990062853 754689934 /nfs/dbraw/zinc/68/99/34/754689934.db2.gz PQPALXZFSUISGH-INIZCTEOSA-N 1 1 329.375 0.864 20 30 ECEDMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1)c1nncn1C ZINC001051555947 762331780 /nfs/dbraw/zinc/33/17/80/762331780.db2.gz QGCSGXSFSKSLIS-YPMHNXCESA-N 1 1 343.391 0.207 20 30 ECEDMO CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC001051556232 762333481 /nfs/dbraw/zinc/33/34/81/762333481.db2.gz SDTWVPMHGWSZOY-CQSZACIVSA-N 1 1 343.391 0.129 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H]2CCNC2=O)CC3)c1 ZINC000990159878 754785559 /nfs/dbraw/zinc/78/55/59/754785559.db2.gz GBSWSHHWHWZNNS-ZQIUZPCESA-N 1 1 327.388 0.502 20 30 ECEDMO C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001028710545 754787445 /nfs/dbraw/zinc/78/74/45/754787445.db2.gz WOIFUNRNVVXGMC-ZACQAIPSSA-N 1 1 337.464 0.490 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001028711903 754794128 /nfs/dbraw/zinc/79/41/28/754794128.db2.gz IMUHDKYUERKZTE-KGLIPLIRSA-N 1 1 329.391 0.414 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001028711647 754795742 /nfs/dbraw/zinc/79/57/42/754795742.db2.gz DDZAFOVEUDYWGQ-HUUCEWRRSA-N 1 1 330.432 0.999 20 30 ECEDMO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC001051561721 762342667 /nfs/dbraw/zinc/34/26/67/762342667.db2.gz BYVKZIPFVVWDEA-CQSZACIVSA-N 1 1 329.360 0.814 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)cc1 ZINC001028730479 754887005 /nfs/dbraw/zinc/88/70/05/754887005.db2.gz JRDFHMVOFRJAAI-AWEZNQCLSA-N 1 1 339.399 0.342 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)cc1 ZINC001028730479 754887012 /nfs/dbraw/zinc/88/70/12/754887012.db2.gz JRDFHMVOFRJAAI-AWEZNQCLSA-N 1 1 339.399 0.342 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CN3CN=NC3=O)CCC[C@H]12 ZINC000990306359 754939603 /nfs/dbraw/zinc/93/96/03/754939603.db2.gz JPNWJTZZNZNAGU-FZMZJTMJSA-N 1 1 325.800 0.849 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CN3CN=NC3=O)CCC[C@H]12 ZINC000990306359 754939607 /nfs/dbraw/zinc/93/96/07/754939607.db2.gz JPNWJTZZNZNAGU-FZMZJTMJSA-N 1 1 325.800 0.849 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001028752585 754973381 /nfs/dbraw/zinc/97/33/81/754973381.db2.gz HGPKNTUCWMXLIV-VXGBXAGGSA-N 1 1 344.253 0.954 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001028752585 754973385 /nfs/dbraw/zinc/97/33/85/754973385.db2.gz HGPKNTUCWMXLIV-VXGBXAGGSA-N 1 1 344.253 0.954 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000983269907 755031503 /nfs/dbraw/zinc/03/15/03/755031503.db2.gz WIXYHKCHRZCBCG-HZPDHXFCSA-N 1 1 340.427 0.593 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3ccc[nH]3)C2)C1=O ZINC001009600772 755044960 /nfs/dbraw/zinc/04/49/60/755044960.db2.gz JTZWBUUSBAZHSW-JKSUJKDBSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3ccc[nH]3)C2)C1=O ZINC001009600772 755044964 /nfs/dbraw/zinc/04/49/64/755044964.db2.gz JTZWBUUSBAZHSW-JKSUJKDBSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3ccc[nH]3)C2)C1=O ZINC001009600764 755045008 /nfs/dbraw/zinc/04/50/08/755045008.db2.gz JTZWBUUSBAZHSW-HOTGVXAUSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3ccc[nH]3)C2)C1=O ZINC001009600764 755045012 /nfs/dbraw/zinc/04/50/12/755045012.db2.gz JTZWBUUSBAZHSW-HOTGVXAUSA-N 1 1 330.432 0.925 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)ccc1F ZINC001028772908 755056739 /nfs/dbraw/zinc/05/67/39/755056739.db2.gz HOPKWQIKKSKQFT-DOMZBBRYSA-N 1 1 345.378 0.317 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001028780708 755094457 /nfs/dbraw/zinc/09/44/57/755094457.db2.gz MRZRHKCZYSXRDO-DZGCQCFKSA-N 1 1 333.432 0.976 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000983300876 755099816 /nfs/dbraw/zinc/09/98/16/755099816.db2.gz FSOQFYJBYHHNBK-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC001105878423 762362443 /nfs/dbraw/zinc/36/24/43/762362443.db2.gz RDLAIDXRCNHXKS-MRVWCRGKSA-N 1 1 331.420 0.154 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001060034267 755155657 /nfs/dbraw/zinc/15/56/57/755155657.db2.gz DQSHQLVUVFDEHY-KBPBESRZSA-N 1 1 328.420 0.950 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001028802738 755169147 /nfs/dbraw/zinc/16/91/47/755169147.db2.gz TUOUPHFJVPAMDV-AWEZNQCLSA-N 1 1 330.432 0.598 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028807844 755194631 /nfs/dbraw/zinc/19/46/31/755194631.db2.gz UOHPAYOVQSDWBB-MXWKQRLJSA-N 1 1 330.226 0.455 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028807844 755194633 /nfs/dbraw/zinc/19/46/33/755194633.db2.gz UOHPAYOVQSDWBB-MXWKQRLJSA-N 1 1 330.226 0.455 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)[C@@H](O)C1 ZINC001083468868 755200227 /nfs/dbraw/zinc/20/02/27/755200227.db2.gz VNNBDQILGDFQDS-NCOADZHNSA-N 1 1 329.400 0.344 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)[C@@H](O)C1 ZINC001083468868 755200230 /nfs/dbraw/zinc/20/02/30/755200230.db2.gz VNNBDQILGDFQDS-NCOADZHNSA-N 1 1 329.400 0.344 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC(N)=O)[C@H]1C ZINC001088723623 755274260 /nfs/dbraw/zinc/27/42/60/755274260.db2.gz MDQUWKFAVMSHAM-HIFRSBDPSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001028849844 755304182 /nfs/dbraw/zinc/30/41/82/755304182.db2.gz LYHPIOHKPYDNJZ-UONOGXRCSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)cc1 ZINC001028850326 755306327 /nfs/dbraw/zinc/30/63/27/755306327.db2.gz VPNQRNPQUIVWOV-HNNXBMFYSA-N 1 1 343.427 0.839 20 30 ECEDMO COCCN(CCNC(=O)Cn1c[nH+]cc1C)c1ccc(C#N)cn1 ZINC001126440284 755325522 /nfs/dbraw/zinc/32/55/22/755325522.db2.gz ISGYVYWZIIOQAR-UHFFFAOYSA-N 1 1 342.403 0.727 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cn(CC)nn3)C2)C1=O ZINC001028897202 755426065 /nfs/dbraw/zinc/42/60/65/755426065.db2.gz GDRMWMUVGAPEJS-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001028918629 755477082 /nfs/dbraw/zinc/47/70/82/755477082.db2.gz JYYPVLNYDFMKKK-CYBMUJFWSA-N 1 1 329.400 0.935 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)[C@@H](O)C1 ZINC001083483616 755642446 /nfs/dbraw/zinc/64/24/46/755642446.db2.gz BEIZMYGONABYAN-XHSDSOJGSA-N 1 1 335.448 0.372 20 30 ECEDMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010097201 755648336 /nfs/dbraw/zinc/64/83/36/755648336.db2.gz PQVDDKFBSTUKBK-HNNXBMFYSA-N 1 1 344.806 0.569 20 30 ECEDMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010097201 755648337 /nfs/dbraw/zinc/64/83/37/755648337.db2.gz PQVDDKFBSTUKBK-HNNXBMFYSA-N 1 1 344.806 0.569 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)[C@@H](O)C1 ZINC001083500914 755742564 /nfs/dbraw/zinc/74/25/64/755742564.db2.gz NYPROSYFVZIAKV-IMJJTQAJSA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)[C@@H](O)C1 ZINC001083500914 755742569 /nfs/dbraw/zinc/74/25/69/755742569.db2.gz NYPROSYFVZIAKV-IMJJTQAJSA-N 1 1 335.448 0.208 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990721550 755754148 /nfs/dbraw/zinc/75/41/48/755754148.db2.gz IVPSSTNEIAUXNL-MRXNPFEDSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001060088206 755920340 /nfs/dbraw/zinc/92/03/40/755920340.db2.gz XCEBFPUAMMDDOD-LSDHHAIUSA-N 1 1 342.447 0.905 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)c3ccccc32)[C@@H](O)C1 ZINC001083538115 755986404 /nfs/dbraw/zinc/98/64/04/755986404.db2.gz HQYKFLVXUDZUTB-NUJGCVRESA-N 1 1 327.428 0.795 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)c3ccccc32)[C@@H](O)C1 ZINC001083538115 755986408 /nfs/dbraw/zinc/98/64/08/755986408.db2.gz HQYKFLVXUDZUTB-NUJGCVRESA-N 1 1 327.428 0.795 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccncc1F ZINC001076017555 755999737 /nfs/dbraw/zinc/99/97/37/755999737.db2.gz LVUNRYZTGTVODN-BBRMVZONSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccncc1F ZINC001076017555 755999742 /nfs/dbraw/zinc/99/97/42/755999742.db2.gz LVUNRYZTGTVODN-BBRMVZONSA-N 1 1 346.406 0.943 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cncn3)cc2)[C@@H](O)C1 ZINC001083539286 756022090 /nfs/dbraw/zinc/02/20/90/756022090.db2.gz PDENTNYEVUAYNM-CVEARBPZSA-N 1 1 325.372 0.066 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cncn3)cc2)[C@@H](O)C1 ZINC001083539286 756022095 /nfs/dbraw/zinc/02/20/95/756022095.db2.gz PDENTNYEVUAYNM-CVEARBPZSA-N 1 1 325.372 0.066 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001010344358 756027378 /nfs/dbraw/zinc/02/73/78/756027378.db2.gz MKILAZYPZWAMCN-CABCVRRESA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001010344358 756027384 /nfs/dbraw/zinc/02/73/84/756027384.db2.gz MKILAZYPZWAMCN-CABCVRRESA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnc(F)c3)C2)C1=O ZINC001010358912 756039340 /nfs/dbraw/zinc/03/93/40/756039340.db2.gz SQIZDUWDAVZCGL-KGLIPLIRSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccnc(F)c3)C2)C1=O ZINC001010358912 756039348 /nfs/dbraw/zinc/03/93/48/756039348.db2.gz SQIZDUWDAVZCGL-KGLIPLIRSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001010395676 756080112 /nfs/dbraw/zinc/08/01/12/756080112.db2.gz CTEMMEFFMJBHQT-GJZGRUSLSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001010395676 756080121 /nfs/dbraw/zinc/08/01/21/756080121.db2.gz CTEMMEFFMJBHQT-GJZGRUSLSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cc(OC)ccc2OC)[C@@H](O)C1 ZINC001083542661 756103653 /nfs/dbraw/zinc/10/36/53/756103653.db2.gz ISIOSANDOHIGIJ-CVEARBPZSA-N 1 1 334.416 0.984 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001010428006 756125861 /nfs/dbraw/zinc/12/58/61/756125861.db2.gz OHHPTRIVIREIKL-IRXDYDNUSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001010428006 756125864 /nfs/dbraw/zinc/12/58/64/756125864.db2.gz OHHPTRIVIREIKL-IRXDYDNUSA-N 1 1 346.406 0.718 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2scnc2C)CC1 ZINC001010437178 756135123 /nfs/dbraw/zinc/13/51/23/756135123.db2.gz ULJMZRBQRCPOED-AWEZNQCLSA-N 1 1 346.456 0.834 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2scnc2C)CC1 ZINC001010437178 756135125 /nfs/dbraw/zinc/13/51/25/756135125.db2.gz ULJMZRBQRCPOED-AWEZNQCLSA-N 1 1 346.456 0.834 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c1 ZINC001010480155 756169956 /nfs/dbraw/zinc/16/99/56/756169956.db2.gz RXILGKOABYCFOB-STQMWFEESA-N 1 1 325.376 0.469 20 30 ECEDMO N#CCN1C[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@@H]2C1 ZINC001076247988 756265545 /nfs/dbraw/zinc/26/55/45/756265545.db2.gz RAPAZSZORVJSQN-XJKSGUPXSA-N 1 1 329.404 0.940 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3CC)C[C@H]21 ZINC001076262529 756299003 /nfs/dbraw/zinc/29/90/03/756299003.db2.gz IIYCOEVVFDIECH-SVGFKBNWSA-N 1 1 345.447 0.922 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3CC)C[C@H]21 ZINC001076262529 756299007 /nfs/dbraw/zinc/29/90/07/756299007.db2.gz IIYCOEVVFDIECH-SVGFKBNWSA-N 1 1 345.447 0.922 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)c[nH]1 ZINC001010660650 756363078 /nfs/dbraw/zinc/36/30/78/756363078.db2.gz AELVZTMWZPFKDA-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076411914 756482504 /nfs/dbraw/zinc/48/25/04/756482504.db2.gz FCTVUXVEDIPNJG-OFQRWUPVSA-N 1 1 329.404 0.094 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076411914 756482506 /nfs/dbraw/zinc/48/25/06/756482506.db2.gz FCTVUXVEDIPNJG-OFQRWUPVSA-N 1 1 329.404 0.094 20 30 ECEDMO Cn1oc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cc1=O ZINC001010772757 756504165 /nfs/dbraw/zinc/50/41/65/756504165.db2.gz JPUVCAKSWOOSSU-SNVBAGLBSA-N 1 1 332.385 0.916 20 30 ECEDMO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cc1=O ZINC001010772757 756504168 /nfs/dbraw/zinc/50/41/68/756504168.db2.gz JPUVCAKSWOOSSU-SNVBAGLBSA-N 1 1 332.385 0.916 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076440565 756518760 /nfs/dbraw/zinc/51/87/60/756518760.db2.gz APXITAUFJUQCLW-SQWLQELKSA-N 1 1 331.420 0.962 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1 ZINC001076441010 756519429 /nfs/dbraw/zinc/51/94/29/756519429.db2.gz LGKFOORSQZKRTI-WMLDXEAASA-N 1 1 343.431 0.799 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@@H]2C1 ZINC001076457616 756534473 /nfs/dbraw/zinc/53/44/73/756534473.db2.gz KLEWIUSKUIJVDQ-WDEREUQCSA-N 1 1 332.360 0.066 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001076512316 756608363 /nfs/dbraw/zinc/60/83/63/756608363.db2.gz TWVDVXJNRBMXFY-HOTGVXAUSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnccc2C)CC1 ZINC001010870214 756619748 /nfs/dbraw/zinc/61/97/48/756619748.db2.gz PXKGFLGOOWCUCG-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnccc2C)CC1 ZINC001010870214 756619751 /nfs/dbraw/zinc/61/97/51/756619751.db2.gz PXKGFLGOOWCUCG-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051619778 762490773 /nfs/dbraw/zinc/49/07/73/762490773.db2.gz MBXCXPWOOVYPQS-ZNMIVQPWSA-N 1 1 336.392 0.368 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001051620536 762492377 /nfs/dbraw/zinc/49/23/77/762492377.db2.gz RRMPJZQMRZYUQO-OAGGEKHMSA-N 1 1 346.431 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@](C)(O)C2CC2)CC1 ZINC001011020638 756775237 /nfs/dbraw/zinc/77/52/37/756775237.db2.gz KJUAHGKLAXZXHF-LPHOPBHVSA-N 1 1 347.459 0.306 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@](C)(O)C2CC2)CC1 ZINC001011020638 756775240 /nfs/dbraw/zinc/77/52/40/756775240.db2.gz KJUAHGKLAXZXHF-LPHOPBHVSA-N 1 1 347.459 0.306 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(F)cn2)CC1 ZINC001011031806 756796985 /nfs/dbraw/zinc/79/69/85/756796985.db2.gz IWAUQSJHLGVSBS-INIZCTEOSA-N 1 1 344.390 0.603 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(F)cn2)CC1 ZINC001011031806 756796986 /nfs/dbraw/zinc/79/69/86/756796986.db2.gz IWAUQSJHLGVSBS-INIZCTEOSA-N 1 1 344.390 0.603 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)cn2)C1 ZINC001060128868 756808574 /nfs/dbraw/zinc/80/85/74/756808574.db2.gz AAENYSZBFCZWOS-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)cn2)C1 ZINC001060128868 756808577 /nfs/dbraw/zinc/80/85/77/756808577.db2.gz AAENYSZBFCZWOS-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@@H](O)C1 ZINC001083552407 756831532 /nfs/dbraw/zinc/83/15/32/756831532.db2.gz DLFVKJCUNHUBKC-MNOVXSKESA-N 1 1 328.294 0.294 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@@H](O)C1 ZINC001083552407 756831535 /nfs/dbraw/zinc/83/15/35/756831535.db2.gz DLFVKJCUNHUBKC-MNOVXSKESA-N 1 1 328.294 0.294 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001011063216 756861025 /nfs/dbraw/zinc/86/10/25/756861025.db2.gz QRHYSOSUTMZZFS-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001011063216 756861032 /nfs/dbraw/zinc/86/10/32/756861032.db2.gz QRHYSOSUTMZZFS-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001076713684 756904931 /nfs/dbraw/zinc/90/49/31/756904931.db2.gz NLYQNRCZSPSNFA-UONOGXRCSA-N 1 1 348.451 0.431 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)N(CCOC)C3)CCC[C@H]12 ZINC000990933925 756906302 /nfs/dbraw/zinc/90/63/02/756906302.db2.gz HVCOPKHYAQRZFF-RVKKMQEKSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990932065 756911620 /nfs/dbraw/zinc/91/16/20/756911620.db2.gz IYQTUADAWCUXGA-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](O)C(C)C)C[C@H]3C2)C1=O ZINC001048801093 757038765 /nfs/dbraw/zinc/03/87/65/757038765.db2.gz WKZFSLBUNZBKFX-QKPAOTATSA-N 1 1 335.448 0.180 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001011154644 757047136 /nfs/dbraw/zinc/04/71/36/757047136.db2.gz BENRWVSCLZSRAF-CQSZACIVSA-N 1 1 346.435 0.090 20 30 ECEDMO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](CC[C@H]3CCCCO3)C2)nn1 ZINC001107149991 757054269 /nfs/dbraw/zinc/05/42/69/757054269.db2.gz XMZQXYMTTJWNBX-CZUORRHYSA-N 1 1 346.435 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC001011158502 757055986 /nfs/dbraw/zinc/05/59/86/757055986.db2.gz VAMDTYQDKOKJQZ-INIZCTEOSA-N 1 1 328.416 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC001011158502 757055994 /nfs/dbraw/zinc/05/59/94/757055994.db2.gz VAMDTYQDKOKJQZ-INIZCTEOSA-N 1 1 328.416 0.705 20 30 ECEDMO CCCC(=O)N[C@H]1C[N@H+](CC(=O)NCC#N)CC2(CCOCC2)C1 ZINC001099560332 757135698 /nfs/dbraw/zinc/13/56/98/757135698.db2.gz VKVMRWVMTBPCNH-CQSZACIVSA-N 1 1 336.436 0.414 20 30 ECEDMO CCCC(=O)N[C@H]1C[N@@H+](CC(=O)NCC#N)CC2(CCOCC2)C1 ZINC001099560332 757135706 /nfs/dbraw/zinc/13/57/06/757135706.db2.gz VKVMRWVMTBPCNH-CQSZACIVSA-N 1 1 336.436 0.414 20 30 ECEDMO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048832788 757137122 /nfs/dbraw/zinc/13/71/22/757137122.db2.gz WXPMOLMPQVRFOB-ILXRZTDVSA-N 1 1 335.448 0.018 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccns4)C[C@H]3C2)C1=O ZINC001048846945 757164313 /nfs/dbraw/zinc/16/43/13/757164313.db2.gz RHHYWZYWLLBZPY-MJBXVCDLSA-N 1 1 346.456 0.934 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cccc(OCC(N)=O)c3)C[C@H]2C1 ZINC001048848069 757170761 /nfs/dbraw/zinc/17/07/61/757170761.db2.gz LBEJQVPHJHDXEE-GASCZTMLSA-N 1 1 327.384 0.188 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)c1 ZINC000996275895 757220690 /nfs/dbraw/zinc/22/06/90/757220690.db2.gz UEHRDGXJZOTYCI-AWEZNQCLSA-N 1 1 339.403 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nnc(C)o3)C[C@H]2C1 ZINC001048868582 757233078 /nfs/dbraw/zinc/23/30/78/757233078.db2.gz FSNFRWQRECWJLU-XHSDSOJGSA-N 1 1 343.431 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nnc(C)o3)C[C@H]2C1 ZINC001048868582 757233083 /nfs/dbraw/zinc/23/30/83/757233083.db2.gz FSNFRWQRECWJLU-XHSDSOJGSA-N 1 1 343.431 0.366 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3c3ncccn3)C[C@H]2C1 ZINC001048869967 757238592 /nfs/dbraw/zinc/23/85/92/757238592.db2.gz JLFUANRCNOILAZ-BBWFWOEESA-N 1 1 339.443 0.859 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001048874274 757253776 /nfs/dbraw/zinc/25/37/76/757253776.db2.gz VMDIZEFLXBZWTO-HOTGVXAUSA-N 1 1 346.431 0.415 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1O ZINC001076812723 757257513 /nfs/dbraw/zinc/25/75/13/757257513.db2.gz RKLLFHRVFPWBNN-IXDOHACOSA-N 1 1 346.406 0.453 20 30 ECEDMO C#CCC1(C(=O)NCc2cn(C3C[NH+](CC)C3)nn2)CCOCC1 ZINC001107178210 757332839 /nfs/dbraw/zinc/33/28/39/757332839.db2.gz MTZQDROEAQABEQ-UHFFFAOYSA-N 1 1 331.420 0.591 20 30 ECEDMO C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001048899661 757341814 /nfs/dbraw/zinc/34/18/14/757341814.db2.gz QJAXILSMBLXMIS-OKILXGFUSA-N 1 1 329.400 0.741 20 30 ECEDMO C=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)NC)nn1 ZINC001021403768 757398055 /nfs/dbraw/zinc/39/80/55/757398055.db2.gz BIQKJRWDAWSACE-RLAWYHOSSA-N 1 1 346.435 0.324 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@H]2C1 ZINC001048960136 757520621 /nfs/dbraw/zinc/52/06/21/757520621.db2.gz TXEFOJKLZOVHMN-OKILXGFUSA-N 1 1 341.415 0.911 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@H]2O)[nH]1 ZINC001076890415 757527730 /nfs/dbraw/zinc/52/77/30/757527730.db2.gz YODJLRHXDPBWEC-IAGOWNOFSA-N 1 1 340.383 0.740 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@H]2O)[nH]1 ZINC001076890415 757527738 /nfs/dbraw/zinc/52/77/38/757527738.db2.gz YODJLRHXDPBWEC-IAGOWNOFSA-N 1 1 340.383 0.740 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@H]2C1 ZINC001048965295 757537594 /nfs/dbraw/zinc/53/75/94/757537594.db2.gz JPZCFACYLGNXHA-KFWWJZLASA-N 1 1 328.416 0.561 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@H]2C1 ZINC001048965296 757538080 /nfs/dbraw/zinc/53/80/80/757538080.db2.gz JPZCFACYLGNXHA-SOUVJXGZSA-N 1 1 328.416 0.561 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)Cn3nc4ccccn4c3=O)C[C@H]2C1 ZINC001048968969 757544868 /nfs/dbraw/zinc/54/48/68/757544868.db2.gz JKVDPNSFWWIYON-OKILXGFUSA-N 1 1 327.388 0.072 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)cc1 ZINC001048972920 757560074 /nfs/dbraw/zinc/56/00/74/757560074.db2.gz BPJJEIVIXAURCX-KSZLIROESA-N 1 1 337.423 0.950 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1 ZINC001076907147 757562890 /nfs/dbraw/zinc/56/28/90/757562890.db2.gz CKHWOFZENFFSJS-IAGOWNOFSA-N 1 1 340.383 0.870 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1 ZINC001076907147 757562896 /nfs/dbraw/zinc/56/28/96/757562896.db2.gz CKHWOFZENFFSJS-IAGOWNOFSA-N 1 1 340.383 0.870 20 30 ECEDMO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048977543 757583412 /nfs/dbraw/zinc/58/34/12/757583412.db2.gz YSRZTGOGIUXMIS-GJZGRUSLSA-N 1 1 339.480 0.959 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3OCCCO3)C2)cc1 ZINC001076922833 757622395 /nfs/dbraw/zinc/62/23/95/757622395.db2.gz QNPUUDDAQFDVAX-HZPDHXFCSA-N 1 1 345.399 0.373 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3OCCCO3)C2)cc1 ZINC001076922833 757622397 /nfs/dbraw/zinc/62/23/97/757622397.db2.gz QNPUUDDAQFDVAX-HZPDHXFCSA-N 1 1 345.399 0.373 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCCS2(=O)=O)C1 ZINC001021594951 757660265 /nfs/dbraw/zinc/66/02/65/757660265.db2.gz RZMASAROSJRBBN-HUUCEWRRSA-N 1 1 341.477 0.521 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(=O)n(C)cn2)C1 ZINC001021608474 757681270 /nfs/dbraw/zinc/68/12/70/757681270.db2.gz QIBQCEJAPDZOOD-HOCLYGCPSA-N 1 1 328.416 0.730 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001021620923 757695982 /nfs/dbraw/zinc/69/59/82/757695982.db2.gz YAHOJKKSYMVJEQ-HZPDHXFCSA-N 1 1 347.463 0.861 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001049019126 757708931 /nfs/dbraw/zinc/70/89/31/757708931.db2.gz FSYPDPZWDFHAGP-KBPBESRZSA-N 1 1 325.453 0.713 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4conc4C)C[C@H]3C2)C1=O ZINC001049024351 757726160 /nfs/dbraw/zinc/72/61/60/757726160.db2.gz MCAUXOOODJFYOL-IJEWVQPXSA-N 1 1 344.415 0.774 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](OC)C(C)C)C[C@H]3C2)C1=O ZINC001049028971 757737714 /nfs/dbraw/zinc/73/77/14/757737714.db2.gz PEXGXQCNHAGNDS-YYIAUSFCSA-N 1 1 349.475 0.835 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)C[N@H+](C)CC(C)(C)C)nn2)C1 ZINC001107211991 757741075 /nfs/dbraw/zinc/74/10/75/757741075.db2.gz JFPMIPCDIUFDMY-UHFFFAOYSA-N 1 1 346.479 0.752 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001021688268 757784433 /nfs/dbraw/zinc/78/44/33/757784433.db2.gz MNIIWLYAWVWOOC-UKRRQHHQSA-N 1 1 339.399 0.995 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(=O)n(C)n2)C1 ZINC001021728566 757870115 /nfs/dbraw/zinc/87/01/15/757870115.db2.gz UUMYOUNFLDSLPR-GDBMZVCRSA-N 1 1 328.416 0.730 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021729548 757871401 /nfs/dbraw/zinc/87/14/01/757871401.db2.gz GAZOMSPMTZXMMT-KGLIPLIRSA-N 1 1 334.420 0.379 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001076996624 757898912 /nfs/dbraw/zinc/89/89/12/757898912.db2.gz GRGBJYFUCHKHBN-APHBMKBZSA-N 1 1 336.436 0.750 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001049081519 757909273 /nfs/dbraw/zinc/90/92/73/757909273.db2.gz HHQDBFBACDWQSR-HOTGVXAUSA-N 1 1 348.447 0.968 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)cn1 ZINC000996535926 757915952 /nfs/dbraw/zinc/91/59/52/757915952.db2.gz LAYHHCGBIHUFTQ-CQSZACIVSA-N 1 1 339.403 0.227 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001049084624 757918041 /nfs/dbraw/zinc/91/80/41/757918041.db2.gz IEUQXBDHGJKIHH-GJZGRUSLSA-N 1 1 334.420 0.578 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)C1 ZINC000996539567 757962994 /nfs/dbraw/zinc/96/29/94/757962994.db2.gz SAQOAGOVPYVVLU-FWYOQMDTSA-N 1 1 341.415 0.700 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@H]2C1 ZINC001049113962 757998632 /nfs/dbraw/zinc/99/86/32/757998632.db2.gz VZLBKLDTLHYOKE-ZJPYXAASSA-N 1 1 342.443 0.702 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001077035934 758014555 /nfs/dbraw/zinc/01/45/55/758014555.db2.gz UYOGHXGYOSXAEX-HUUCEWRRSA-N 1 1 330.388 0.875 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001077067061 758080433 /nfs/dbraw/zinc/08/04/33/758080433.db2.gz KVNCAGHXCBTWOL-RRFJBIMHSA-N 1 1 332.400 0.954 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)nn2C)C1=O ZINC001032304586 758106998 /nfs/dbraw/zinc/10/69/98/758106998.db2.gz NTMQTEGMFNDCFY-KKUMJFAQSA-N 1 1 343.431 0.414 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)nn2C)C1=O ZINC001032304586 758107005 /nfs/dbraw/zinc/10/70/05/758107005.db2.gz NTMQTEGMFNDCFY-KKUMJFAQSA-N 1 1 343.431 0.414 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2cccc3OC)C1 ZINC001077082212 758113981 /nfs/dbraw/zinc/11/39/81/758113981.db2.gz IDRBQRFUMWYOLC-UKRRQHHQSA-N 1 1 328.372 0.141 20 30 ECEDMO Cn1ncnc1C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12 ZINC001107289699 758177961 /nfs/dbraw/zinc/17/79/61/758177961.db2.gz LJUAWHPNBLKBRW-CZUORRHYSA-N 1 1 348.476 0.933 20 30 ECEDMO Cn1ncnc1C[N@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12 ZINC001107289699 758177971 /nfs/dbraw/zinc/17/79/71/758177971.db2.gz LJUAWHPNBLKBRW-CZUORRHYSA-N 1 1 348.476 0.933 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001011645793 758200484 /nfs/dbraw/zinc/20/04/84/758200484.db2.gz IMUHJPDUIINTNJ-HNNXBMFYSA-N 1 1 340.427 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cccc(=O)[nH]1 ZINC001077123750 758248820 /nfs/dbraw/zinc/24/88/20/758248820.db2.gz BIFSKVNGRUTNTM-ZFWWWQNUSA-N 1 1 344.415 0.509 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cccc(=O)[nH]1 ZINC001077123750 758248831 /nfs/dbraw/zinc/24/88/31/758248831.db2.gz BIFSKVNGRUTNTM-ZFWWWQNUSA-N 1 1 344.415 0.509 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001077123767 758248963 /nfs/dbraw/zinc/24/89/63/758248963.db2.gz CASGHRCQNAHMMN-XHSDSOJGSA-N 1 1 334.464 0.189 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)COCCCC ZINC001077123731 758249075 /nfs/dbraw/zinc/24/90/75/758249075.db2.gz ANWDGVSVKVTGTF-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)COCCCC ZINC001077123731 758249082 /nfs/dbraw/zinc/24/90/82/758249082.db2.gz ANWDGVSVKVTGTF-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@](C)(O)C1CC1 ZINC001077123808 758249481 /nfs/dbraw/zinc/24/94/81/758249481.db2.gz DHDZCSUWPSBNSL-URLQWDBASA-N 1 1 349.475 0.646 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@](C)(O)C1CC1 ZINC001077123808 758249489 /nfs/dbraw/zinc/24/94/89/758249489.db2.gz DHDZCSUWPSBNSL-URLQWDBASA-N 1 1 349.475 0.646 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCCCOC ZINC001077123761 758249540 /nfs/dbraw/zinc/24/95/40/758249540.db2.gz BSWMFYZXLKZVLN-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCCCOC ZINC001077123761 758249549 /nfs/dbraw/zinc/24/95/49/758249549.db2.gz BSWMFYZXLKZVLN-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(=O)NC)CC2 ZINC001107327013 758291100 /nfs/dbraw/zinc/29/11/00/758291100.db2.gz NWYRFCWKQKMFMW-CXAGYDPISA-N 1 1 336.436 0.769 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2ccon2)C1 ZINC001051659744 762615871 /nfs/dbraw/zinc/61/58/71/762615871.db2.gz AFTQLNXJTFNXLG-CVEARBPZSA-N 1 1 332.404 0.089 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCc2ccon2)C1 ZINC001051659744 762615873 /nfs/dbraw/zinc/61/58/73/762615873.db2.gz AFTQLNXJTFNXLG-CVEARBPZSA-N 1 1 332.404 0.089 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001049206459 758302958 /nfs/dbraw/zinc/30/29/58/758302958.db2.gz BSWDJYUUABEEMV-MJBXVCDLSA-N 1 1 334.420 0.331 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(-n4cnnn4)c3)C[C@H]2C1 ZINC001049208314 758310823 /nfs/dbraw/zinc/31/08/23/758310823.db2.gz ARTGVSDYMNQMBM-IYBDPMFKSA-N 1 1 336.399 0.689 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3ccon3)CCC[C@@H]12 ZINC001107343004 758313099 /nfs/dbraw/zinc/31/30/99/758313099.db2.gz GTDYTJKDUQVBEY-CRAIPNDOSA-N 1 1 344.415 0.327 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001107336112 758318675 /nfs/dbraw/zinc/31/86/75/758318675.db2.gz HTDFKFOYDPZBJE-GZBFAFLISA-N 1 1 327.450 0.551 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001107336112 758318686 /nfs/dbraw/zinc/31/86/86/758318686.db2.gz HTDFKFOYDPZBJE-GZBFAFLISA-N 1 1 327.450 0.551 20 30 ECEDMO CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C#N)CCC[C@@H]12 ZINC001107337230 758321663 /nfs/dbraw/zinc/32/16/63/758321663.db2.gz XWCYGISITLOGQZ-OGHNNQOOSA-N 1 1 349.435 0.353 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCNC(=O)C3)CCC[C@@H]12 ZINC001107356700 758381694 /nfs/dbraw/zinc/38/16/94/758381694.db2.gz OSUQFEBDGINBNL-FRQCXROJSA-N 1 1 347.459 0.523 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H](C)OC)CCC[C@@H]12 ZINC001107372232 758395173 /nfs/dbraw/zinc/39/51/73/758395173.db2.gz VJGAGEIUMOLIRF-GPMSIDNRSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC[C@@H](C)O)CC2 ZINC001107374050 758400753 /nfs/dbraw/zinc/40/07/53/758400753.db2.gz HRAFPSFUKHKIAE-GPMSIDNRSA-N 1 1 349.475 0.648 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001077168431 758404106 /nfs/dbraw/zinc/40/41/06/758404106.db2.gz DCWWMTVHGPGTCW-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107377229 758406020 /nfs/dbraw/zinc/40/60/20/758406020.db2.gz AWZJPUYWNLVEOO-AYOQOUSVSA-N 1 1 349.475 0.907 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)n3cncn3)CCC[C@@H]12 ZINC001107368374 758409754 /nfs/dbraw/zinc/40/97/54/758409754.db2.gz VPPYPWFEOIQCDC-JFIYKMOQSA-N 1 1 345.447 0.850 20 30 ECEDMO N#Cc1nccc(NC/C=C/CNC(=O)[C@H]2CCCc3[nH+]ccn32)n1 ZINC001107380686 758424047 /nfs/dbraw/zinc/42/40/47/758424047.db2.gz ZLANSRFJHXKOBE-ZIYVKSGCSA-N 1 1 337.387 0.629 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ncccn2)C1 ZINC001022220938 758443063 /nfs/dbraw/zinc/44/30/63/758443063.db2.gz URMRYAKHYHHCFV-WCVJEAGWSA-N 1 1 327.432 0.872 20 30 ECEDMO COC1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077192225 758472031 /nfs/dbraw/zinc/47/20/31/758472031.db2.gz WABOROOHLOSGQL-BHUNQDJPSA-N 1 1 329.400 0.645 20 30 ECEDMO COC1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077192225 758472034 /nfs/dbraw/zinc/47/20/34/758472034.db2.gz WABOROOHLOSGQL-BHUNQDJPSA-N 1 1 329.400 0.645 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001077210444 758522491 /nfs/dbraw/zinc/52/24/91/758522491.db2.gz BBCNQUYHJZNMNO-KBAYOESNSA-N 1 1 327.428 0.698 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001077210444 758522496 /nfs/dbraw/zinc/52/24/96/758522496.db2.gz BBCNQUYHJZNMNO-KBAYOESNSA-N 1 1 327.428 0.698 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CC3CS(=O)(=O)C3)CCC[C@@H]12 ZINC001107458549 758592357 /nfs/dbraw/zinc/59/23/57/758592357.db2.gz FIYUFPLZDZLUIL-NVXWUHKLSA-N 1 1 338.473 0.805 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CC3CS(=O)(=O)C3)CCC[C@@H]12 ZINC001107458442 758592714 /nfs/dbraw/zinc/59/27/14/758592714.db2.gz BWHDCTCOLXHKIJ-GDBMZVCRSA-N 1 1 326.462 0.968 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)N1CCOCC1 ZINC001049377911 758594087 /nfs/dbraw/zinc/59/40/87/758594087.db2.gz JWJJVSFAOMRFOD-ILXRZTDVSA-N 1 1 334.420 0.070 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)N1CCOCC1 ZINC001049377911 758594094 /nfs/dbraw/zinc/59/40/94/758594094.db2.gz JWJJVSFAOMRFOD-ILXRZTDVSA-N 1 1 334.420 0.070 20 30 ECEDMO NC(=O)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001049383431 758605658 /nfs/dbraw/zinc/60/56/58/758605658.db2.gz RSPARKLHIPLWJD-IAGOWNOFSA-N 1 1 325.412 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC001022356770 758618618 /nfs/dbraw/zinc/61/86/18/758618618.db2.gz AEYRTOVALPERMB-BPKGMFCQSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC001022356770 758618622 /nfs/dbraw/zinc/61/86/22/758618622.db2.gz AEYRTOVALPERMB-BPKGMFCQSA-N 1 1 329.444 0.799 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12 ZINC001107465326 758621581 /nfs/dbraw/zinc/62/15/81/758621581.db2.gz WEVYOADJMCDJIK-RDTXWAMCSA-N 1 1 346.431 0.886 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ccncc2C#N)C1 ZINC001107465974 758624599 /nfs/dbraw/zinc/62/45/99/758624599.db2.gz RVINXKGDRYPQLS-REMYHPOOSA-N 1 1 343.431 0.569 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C#N)[nH]1 ZINC001049425534 758669909 /nfs/dbraw/zinc/66/99/09/758669909.db2.gz MXEZHJAOTUMHAF-HUUCEWRRSA-N 1 1 329.404 0.653 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1cc(C#N)nc(CC)n1 ZINC001105909736 762659604 /nfs/dbraw/zinc/65/96/04/762659604.db2.gz MNGLHZZGCJFHAO-CYBMUJFWSA-N 1 1 334.424 0.141 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(-c2cccnc2)nn1 ZINC001049509466 758828628 /nfs/dbraw/zinc/82/86/28/758828628.db2.gz UZFAJQFCQAENMF-SJORKVTESA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001049560916 758924028 /nfs/dbraw/zinc/92/40/28/758924028.db2.gz ZBUICCTWOIFOBN-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049560607 758924093 /nfs/dbraw/zinc/92/40/93/758924093.db2.gz WFBBISWPPBYRKH-PMPSAXMXSA-N 1 1 349.475 0.550 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001049560964 758925365 /nfs/dbraw/zinc/92/53/65/758925365.db2.gz ZUVRGZSFFKKHOS-PMPSAXMXSA-N 1 1 335.448 0.018 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001049615138 758997563 /nfs/dbraw/zinc/99/75/63/758997563.db2.gz IBFPJNJZOQKBKR-HOTGVXAUSA-N 1 1 339.403 0.922 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001049615505 758997621 /nfs/dbraw/zinc/99/76/21/758997621.db2.gz KXZNMHUQFJMZSJ-GJZGRUSLSA-N 1 1 339.399 0.643 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001049615507 758997714 /nfs/dbraw/zinc/99/77/14/758997714.db2.gz KXZNMHUQFJMZSJ-LSDHHAIUSA-N 1 1 339.399 0.643 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001049621756 759003742 /nfs/dbraw/zinc/00/37/42/759003742.db2.gz SANLYIYVUCSFNS-GJZGRUSLSA-N 1 1 344.415 0.827 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(N3CCCC3)n2)[C@@H](O)C1 ZINC001083580603 759061820 /nfs/dbraw/zinc/06/18/20/759061820.db2.gz MQWSFQMRHJGDHK-CVEARBPZSA-N 1 1 345.447 0.818 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001022736899 759066731 /nfs/dbraw/zinc/06/67/31/759066731.db2.gz IZZASBGJWQPOFB-XQHKEYJVSA-N 1 1 335.408 0.464 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccc(OC)nn32)[C@@H](O)C1 ZINC001083581120 759071525 /nfs/dbraw/zinc/07/15/25/759071525.db2.gz LJJDWZKRBZCHGO-OCCSQVGLSA-N 1 1 345.403 0.479 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)NC)c1 ZINC001049710861 759118888 /nfs/dbraw/zinc/11/88/88/759118888.db2.gz YQEBIORWNYXELP-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)NC)c1 ZINC001049710861 759118892 /nfs/dbraw/zinc/11/88/92/759118892.db2.gz YQEBIORWNYXELP-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)N1CCC1 ZINC001049740597 759154369 /nfs/dbraw/zinc/15/43/69/759154369.db2.gz LRMMECJGXVFBFY-QZWWFDLISA-N 1 1 347.459 0.875 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(CC)o3)C2)nn1 ZINC001022836015 759156712 /nfs/dbraw/zinc/15/67/12/759156712.db2.gz QFLMGZGZBGMPSY-TXEJJXNPSA-N 1 1 345.407 0.850 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)c[nH]c1CC(N)=O ZINC001049744963 759159560 /nfs/dbraw/zinc/15/95/60/759159560.db2.gz CJGXHRQULUTVAI-GJZGRUSLSA-N 1 1 328.416 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001049749037 759163123 /nfs/dbraw/zinc/16/31/23/759163123.db2.gz YVLIUSNUAYVLMG-IKGGRYGDSA-N 1 1 339.443 0.859 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001049749037 759163126 /nfs/dbraw/zinc/16/31/26/759163126.db2.gz YVLIUSNUAYVLMG-IKGGRYGDSA-N 1 1 339.443 0.859 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049751741 759167688 /nfs/dbraw/zinc/16/76/88/759167688.db2.gz COUOOKPXZWZLBF-MELADBBJSA-N 1 1 334.420 0.616 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)NC)nn1 ZINC001049775877 759190633 /nfs/dbraw/zinc/19/06/33/759190633.db2.gz GLFLJPZFZAAOOY-LSDHHAIUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)NC)nn1 ZINC001049775877 759190637 /nfs/dbraw/zinc/19/06/37/759190637.db2.gz GLFLJPZFZAAOOY-LSDHHAIUSA-N 1 1 346.435 0.279 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001049782040 759199106 /nfs/dbraw/zinc/19/91/06/759199106.db2.gz NOMLLVPCLUTPRX-RRFJBIMHSA-N 1 1 339.461 0.109 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049788018 759208532 /nfs/dbraw/zinc/20/85/32/759208532.db2.gz MMAXLQLXKGUHSI-KGLIPLIRSA-N 1 1 332.404 0.178 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049791801 759215837 /nfs/dbraw/zinc/21/58/37/759215837.db2.gz ZJINJYXMBVSTBC-NWDGAFQWSA-N 1 1 340.811 0.356 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049791801 759215843 /nfs/dbraw/zinc/21/58/43/759215843.db2.gz ZJINJYXMBVSTBC-NWDGAFQWSA-N 1 1 340.811 0.356 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(=O)n(CC)n1 ZINC001049792905 759216372 /nfs/dbraw/zinc/21/63/72/759216372.db2.gz LGEXMFRIQPIXRU-HZPDHXFCSA-N 1 1 328.416 0.965 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2C(F)(F)F)[C@@H](O)C1 ZINC001083600999 759237443 /nfs/dbraw/zinc/23/74/43/759237443.db2.gz YKOPXONELPSVBX-MNOVXSKESA-N 1 1 330.310 0.237 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C(F)(F)F)[C@@H](O)C1 ZINC001083600999 759237447 /nfs/dbraw/zinc/23/74/47/759237447.db2.gz YKOPXONELPSVBX-MNOVXSKESA-N 1 1 330.310 0.237 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049841355 759285163 /nfs/dbraw/zinc/28/51/63/759285163.db2.gz RTXITBQZSRIEAU-RYUDHWBXSA-N 1 1 346.387 0.599 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(N3CCCC3)ccn2)[C@@H](O)C1 ZINC001083614350 759311121 /nfs/dbraw/zinc/31/11/21/759311121.db2.gz QRRITUIMDZRPAG-SJORKVTESA-N 1 1 328.416 0.480 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001049872831 759326515 /nfs/dbraw/zinc/32/65/15/759326515.db2.gz ZUHDTYVJVXNOGJ-BBWFWOEESA-N 1 1 333.432 0.322 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nn3cccnc23)C1 ZINC001047632075 759350307 /nfs/dbraw/zinc/35/03/07/759350307.db2.gz XWQHBSYVUUKOMS-KBPBESRZSA-N 1 1 329.404 0.731 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049886784 759351261 /nfs/dbraw/zinc/35/12/61/759351261.db2.gz URVUJODNDKXDFA-CHWSQXEVSA-N 1 1 329.404 0.831 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1nc2ncccn2n1 ZINC001049890135 759357401 /nfs/dbraw/zinc/35/74/01/759357401.db2.gz KPVLPVKDTRNONB-HUUCEWRRSA-N 1 1 338.415 0.755 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OC)c(Cl)c2)C1 ZINC001047637967 759372124 /nfs/dbraw/zinc/37/21/24/759372124.db2.gz VOWPLMJPBDPUFO-KBPBESRZSA-N 1 1 337.807 0.884 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OC)c(Cl)c2)C1 ZINC001047637967 759372134 /nfs/dbraw/zinc/37/21/34/759372134.db2.gz VOWPLMJPBDPUFO-KBPBESRZSA-N 1 1 337.807 0.884 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001047638327 759373509 /nfs/dbraw/zinc/37/35/09/759373509.db2.gz NCYRRFDOHDFARO-AGIUHOORSA-N 1 1 335.370 0.703 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001047638327 759373522 /nfs/dbraw/zinc/37/35/22/759373522.db2.gz NCYRRFDOHDFARO-AGIUHOORSA-N 1 1 335.370 0.703 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)[C@H]1CCC[N@H+]1C ZINC001125000963 759373941 /nfs/dbraw/zinc/37/39/41/759373941.db2.gz PRYGKNQCNMSELN-HUUCEWRRSA-N 1 1 331.420 0.303 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH]c3ncccc23)C1 ZINC001047640102 759382010 /nfs/dbraw/zinc/38/20/10/759382010.db2.gz JQMFLQKQGUAGGK-HOTGVXAUSA-N 1 1 326.400 0.632 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH]c3ncccc23)C1 ZINC001047640102 759382021 /nfs/dbraw/zinc/38/20/21/759382021.db2.gz JQMFLQKQGUAGGK-HOTGVXAUSA-N 1 1 326.400 0.632 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001049912704 759397172 /nfs/dbraw/zinc/39/71/72/759397172.db2.gz NOYJVIGENJMVEV-ARFHVFGLSA-N 1 1 327.432 0.847 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)[C@@H](O)C1 ZINC001083617165 759424050 /nfs/dbraw/zinc/42/40/50/759424050.db2.gz YCJQTECYBPYKNK-WBVHZDCISA-N 1 1 325.368 0.326 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3nncn3C1)C2 ZINC001054244581 767862095 /nfs/dbraw/zinc/86/20/95/767862095.db2.gz HIRZFYSMQLMVKO-YJBOKZPZSA-N 1 1 327.432 0.788 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2CC(OCC)C2)C1 ZINC000991151210 759469999 /nfs/dbraw/zinc/46/99/99/759469999.db2.gz LDLYFIGCKIQPTD-BCLQGDPASA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2CC(OCC)C2)C1 ZINC000991151210 759470002 /nfs/dbraw/zinc/47/00/02/759470002.db2.gz LDLYFIGCKIQPTD-BCLQGDPASA-N 1 1 333.432 0.226 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1c(Br)cnn1C ZINC001127023480 759505382 /nfs/dbraw/zinc/50/53/82/759505382.db2.gz MZCFTKVUQVTVRB-UHFFFAOYSA-N 1 1 343.225 0.428 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)c1 ZINC001050009616 759545825 /nfs/dbraw/zinc/54/58/25/759545825.db2.gz YKRSPZLVSHQJQH-NUEKZKHPSA-N 1 1 341.415 0.701 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC001050025886 759566688 /nfs/dbraw/zinc/56/66/88/759566688.db2.gz JJTSFINGWQGNGQ-APHBMKBZSA-N 1 1 341.415 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@H](O)C(C)C)[C@@H]3C2)C1=O ZINC001050039998 759599701 /nfs/dbraw/zinc/59/97/01/759599701.db2.gz UMMTWMRVYNXWOR-YLFCFFPRSA-N 1 1 349.475 0.713 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001050045852 759609810 /nfs/dbraw/zinc/60/98/10/759609810.db2.gz MHZHCXBDNBOUPO-JKSUJKDBSA-N 1 1 343.427 0.472 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001047863733 759621171 /nfs/dbraw/zinc/62/11/71/759621171.db2.gz IORLKFDEDLTUHU-UONOGXRCSA-N 1 1 343.435 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2sccc2F)C1 ZINC000991182054 759653097 /nfs/dbraw/zinc/65/30/97/759653097.db2.gz BZWVNCYAJVSIRJ-ZDUSSCGKSA-N 1 1 335.404 0.925 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2sccc2F)C1 ZINC000991182054 759653101 /nfs/dbraw/zinc/65/31/01/759653101.db2.gz BZWVNCYAJVSIRJ-ZDUSSCGKSA-N 1 1 335.404 0.925 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC001050088065 759680881 /nfs/dbraw/zinc/68/08/81/759680881.db2.gz RYWMMUJKSYBCQO-SWLSCSKDSA-N 1 1 340.383 0.582 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)[C@@H]2C1 ZINC001050089101 759682702 /nfs/dbraw/zinc/68/27/02/759682702.db2.gz WKPOLYJUEIQUSR-ARFHVFGLSA-N 1 1 332.448 0.723 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1 ZINC001050088451 759683332 /nfs/dbraw/zinc/68/33/32/759683332.db2.gz CRJWJRZKAUHQBG-GOEBONIOSA-N 1 1 344.415 0.059 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000944648204 759759265 /nfs/dbraw/zinc/75/92/65/759759265.db2.gz SEQKKYAYAIENFP-GJZGRUSLSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000944648204 759759268 /nfs/dbraw/zinc/75/92/68/759759268.db2.gz SEQKKYAYAIENFP-GJZGRUSLSA-N 1 1 335.448 0.474 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H](CC)C(N)=O)C[C@H]32)c1 ZINC001050135643 759779059 /nfs/dbraw/zinc/77/90/59/759779059.db2.gz LEUWUAXPYYVNJA-BHYGNILZSA-N 1 1 340.427 0.863 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH]c(=O)c3=O)[C@@H]2C1 ZINC001050164316 759836719 /nfs/dbraw/zinc/83/67/19/759836719.db2.gz BLNHVZZXKUAYBA-LSDHHAIUSA-N 1 1 346.431 0.426 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cnon4)[C@@H]3C2)C1=O ZINC001050167356 759845787 /nfs/dbraw/zinc/84/57/87/759845787.db2.gz SKWUFBYGKJTRFC-NWANDNLSSA-N 1 1 345.403 0.393 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1 ZINC001050173592 759863146 /nfs/dbraw/zinc/86/31/46/759863146.db2.gz MWFWZBXJRKXIPN-DLBZAZTESA-N 1 1 342.443 0.806 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001050197296 759919141 /nfs/dbraw/zinc/91/91/41/759919141.db2.gz ZPPCKDDPVXGPLV-BFHYXJOUSA-N 1 1 334.420 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)nc(C)n2)C1 ZINC000995643841 759924233 /nfs/dbraw/zinc/92/42/33/759924233.db2.gz WJEGXKBDRFNXSI-INIZCTEOSA-N 1 1 341.415 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)nc(C)n2)C1 ZINC000995643841 759924239 /nfs/dbraw/zinc/92/42/39/759924239.db2.gz WJEGXKBDRFNXSI-INIZCTEOSA-N 1 1 341.415 0.132 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001050231670 760001882 /nfs/dbraw/zinc/00/18/82/760001882.db2.gz UPXZUPISQZYVRZ-UONOGXRCSA-N 1 1 346.435 0.342 20 30 ECEDMO Cn1cc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)nn1 ZINC000995689377 760060121 /nfs/dbraw/zinc/06/01/21/760060121.db2.gz OBYABLQCDWWLHB-AWEZNQCLSA-N 1 1 327.392 0.655 20 30 ECEDMO C=C(Br)C[NH+]1CCC2(CN(C(=O)CC(N)=O)C2)CC1 ZINC001050469053 760317798 /nfs/dbraw/zinc/31/77/98/760317798.db2.gz HEHXAVBGYIEUEL-UHFFFAOYSA-N 1 1 330.226 0.695 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CN1C(=O)C#CC1CC1 ZINC001012590069 760358783 /nfs/dbraw/zinc/35/87/83/760358783.db2.gz IBLKTNSAALUFOY-TZMCWYRMSA-N 1 1 344.415 0.869 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001077437550 760362961 /nfs/dbraw/zinc/36/29/61/760362961.db2.gz CKLFFCKJEOEAOF-ZIAGYGMSSA-N 1 1 331.416 0.988 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001077437550 760362970 /nfs/dbraw/zinc/36/29/70/760362970.db2.gz CKLFFCKJEOEAOF-ZIAGYGMSSA-N 1 1 331.416 0.988 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1ncnn1-c1ccccc1 ZINC001127046476 760445289 /nfs/dbraw/zinc/44/52/89/760445289.db2.gz SHYJIFLAGKLXIO-CQSZACIVSA-N 1 1 327.388 0.511 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1c(Br)cnn1C ZINC001127051770 760485951 /nfs/dbraw/zinc/48/59/51/760485951.db2.gz MLCRJUUULKFMRB-SNVBAGLBSA-N 1 1 343.225 0.427 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001012649943 760487687 /nfs/dbraw/zinc/48/76/87/760487687.db2.gz UOYCZFVCNYGMDI-RISCZKNCSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCNC(=O)CC(=O)NC/C=C/CNc1nc(C)[nH+]c(C)c1C ZINC001107130079 760534232 /nfs/dbraw/zinc/53/42/32/760534232.db2.gz CDAXVKQZJYCUQJ-VOTSOKGWSA-N 1 1 329.404 0.626 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3nc(OC)cc(OC)n3)CCC[C@@H]12 ZINC000991386382 760634000 /nfs/dbraw/zinc/63/40/00/760634000.db2.gz MLEZTCSXAJVIAR-PXAZEXFGSA-N 1 1 330.388 0.854 20 30 ECEDMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C2 ZINC001048516031 760646340 /nfs/dbraw/zinc/64/63/40/760646340.db2.gz DVVSRTWFWYYERM-YOWGUQMCSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cn(C)nn1)CC2 ZINC001050670226 760650450 /nfs/dbraw/zinc/65/04/50/760650450.db2.gz DWENFKFYTKDEOS-CVEARBPZSA-N 1 1 345.447 0.831 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050680430 760659524 /nfs/dbraw/zinc/65/95/24/760659524.db2.gz RZTFVMIERSPOEJ-ZBFHGGJFSA-N 1 1 328.416 0.958 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001106226017 767970515 /nfs/dbraw/zinc/97/05/15/767970515.db2.gz OLZIWEJQXSYKQX-RBSFLKMASA-N 1 1 345.447 0.164 20 30 ECEDMO C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)CCC1 ZINC001048557363 760713684 /nfs/dbraw/zinc/71/36/84/760713684.db2.gz CDWXMKFINHVMAC-JYJNAYRXSA-N 1 1 347.459 0.304 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001048558842 760717509 /nfs/dbraw/zinc/71/75/09/760717509.db2.gz YQUSRTYPJBDYFV-KKUMJFAQSA-N 1 1 337.464 0.713 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001048562744 760723530 /nfs/dbraw/zinc/72/35/30/760723530.db2.gz ROEOUBQZWMLUNE-XFIYOXNOSA-N 1 1 333.432 0.402 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001048563946 760726023 /nfs/dbraw/zinc/72/60/23/760726023.db2.gz OUXYJNJJQGCBSS-NEMWNAMBSA-N 1 1 347.459 0.825 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)c3cccnc32)[C@@H](O)C1 ZINC001083660892 760727272 /nfs/dbraw/zinc/72/72/72/760727272.db2.gz WVKCJEJERUULKL-CABCVRRESA-N 1 1 329.404 0.477 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3nnnn3CC1)C2 ZINC001048566882 760729157 /nfs/dbraw/zinc/72/91/57/760729157.db2.gz LYJPZUDQAWJCSE-JONQDZQNSA-N 1 1 342.447 0.618 20 30 ECEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001048588982 760764228 /nfs/dbraw/zinc/76/42/28/760764228.db2.gz XLDAYVLNRUSXRY-XGUBFFRZSA-N 1 1 341.477 0.613 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C2 ZINC001048594273 760771173 /nfs/dbraw/zinc/77/11/73/760771173.db2.gz RLTZJDLQCIGTNT-FZKCQIBNSA-N 1 1 332.448 0.912 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)C2 ZINC001048594689 760771298 /nfs/dbraw/zinc/77/12/98/760771298.db2.gz MZRXHIVAPLSGOL-YOWGUQMCSA-N 1 1 326.400 0.787 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C=C/C2CC2)C1 ZINC001048628855 760817496 /nfs/dbraw/zinc/81/74/96/760817496.db2.gz UTHXPCBTMSQYMN-JDAARJCASA-N 1 1 345.443 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C=C/C2CC2)C1 ZINC001048628855 760817504 /nfs/dbraw/zinc/81/75/04/760817504.db2.gz UTHXPCBTMSQYMN-JDAARJCASA-N 1 1 345.443 0.080 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001050772652 760819535 /nfs/dbraw/zinc/81/95/35/760819535.db2.gz NLBFYTKFJFSCNO-ZFWWWQNUSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)C1=O ZINC001048647218 760850077 /nfs/dbraw/zinc/85/00/77/760850077.db2.gz CGCOKLGBWBEKRA-IXDOHACOSA-N 1 1 340.427 0.872 20 30 ECEDMO C[C@@H]1CN(C(=O)C2CCC2)CC2(CC[NH+](CC(=O)NCC#N)CC2)O1 ZINC001111534236 767995159 /nfs/dbraw/zinc/99/51/59/767995159.db2.gz SXAJXLPPAOQXJF-CQSZACIVSA-N 1 1 348.447 0.508 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001048721605 761034237 /nfs/dbraw/zinc/03/42/37/761034237.db2.gz KITGNCOYDMINSW-IXDOHACOSA-N 1 1 338.411 0.727 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001212143546 761081090 /nfs/dbraw/zinc/08/10/90/761081090.db2.gz IKOKPDILYGDPTD-IAGOWNOFSA-N 1 1 345.443 0.894 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1O ZINC001048757829 761123670 /nfs/dbraw/zinc/12/36/70/761123670.db2.gz PLCNEPHKWHQBDZ-HOTGVXAUSA-N 1 1 337.464 0.552 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)C1=O ZINC001030031617 761204713 /nfs/dbraw/zinc/20/47/13/761204713.db2.gz IXXQZJIJIHXSFU-RRFJBIMHSA-N 1 1 348.447 0.023 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)C1=O ZINC001030031617 761204716 /nfs/dbraw/zinc/20/47/16/761204716.db2.gz IXXQZJIJIHXSFU-RRFJBIMHSA-N 1 1 348.447 0.023 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001050953316 761210400 /nfs/dbraw/zinc/21/04/00/761210400.db2.gz ZGQLUVHIZHWDIS-JKSUJKDBSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001050953491 761211263 /nfs/dbraw/zinc/21/12/63/761211263.db2.gz DYYUSROTTMPRLX-SJORKVTESA-N 1 1 335.448 0.080 20 30 ECEDMO CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001050953935 761212561 /nfs/dbraw/zinc/21/25/61/761212561.db2.gz PCEXTVIRPXHXHQ-MSOLQXFVSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cccnc1 ZINC001050963383 761231522 /nfs/dbraw/zinc/23/15/22/761231522.db2.gz YJDSFZHMAFBZKX-MSOLQXFVSA-N 1 1 342.443 0.496 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cccnc1 ZINC001050963383 761231527 /nfs/dbraw/zinc/23/15/27/761231527.db2.gz YJDSFZHMAFBZKX-MSOLQXFVSA-N 1 1 342.443 0.496 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CNc2ccnc(C#N)n2)C1 ZINC001060260024 761266249 /nfs/dbraw/zinc/26/62/49/761266249.db2.gz QRIVRWQKGGPTLT-LSDHHAIUSA-N 1 1 342.447 0.905 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1COCCN1CC ZINC001050993376 761289178 /nfs/dbraw/zinc/28/91/78/761289178.db2.gz SYLWOYOWXPTZBH-HZPDHXFCSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1COCCN1CC ZINC001050993376 761289183 /nfs/dbraw/zinc/28/91/83/761289183.db2.gz SYLWOYOWXPTZBH-HZPDHXFCSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001051045284 761385190 /nfs/dbraw/zinc/38/51/90/761385190.db2.gz USQSUMLGWUUTGE-HZPDHXFCSA-N 1 1 347.463 0.932 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001051045284 761385200 /nfs/dbraw/zinc/38/52/00/761385200.db2.gz USQSUMLGWUUTGE-HZPDHXFCSA-N 1 1 347.463 0.932 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)nn1 ZINC001054533690 768033352 /nfs/dbraw/zinc/03/33/52/768033352.db2.gz SFKNLHBWYWLLEH-IAQYHMDHSA-N 1 1 327.392 0.748 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1C ZINC001054549903 768038793 /nfs/dbraw/zinc/03/87/93/768038793.db2.gz RCXIDHQWZSMBIV-RISCZKNCSA-N 1 1 341.419 0.828 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1snc(Cl)c1C#N ZINC001105754368 761531358 /nfs/dbraw/zinc/53/13/58/761531358.db2.gz GDANDSRLKMXUKH-PSASIEDQSA-N 1 1 343.840 0.651 20 30 ECEDMO C#CCCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001051190701 761653259 /nfs/dbraw/zinc/65/32/59/761653259.db2.gz XSDFMENHSMVCSS-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001051201727 761677777 /nfs/dbraw/zinc/67/77/77/761677777.db2.gz UBWFHQATOLYIGI-CABCVRRESA-N 1 1 338.452 0.703 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001051201727 761677778 /nfs/dbraw/zinc/67/77/78/761677778.db2.gz UBWFHQATOLYIGI-CABCVRRESA-N 1 1 338.452 0.703 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1c1cnc(C#N)cn1 ZINC001051230733 761727425 /nfs/dbraw/zinc/72/74/25/761727425.db2.gz QFLSXTCBGLBRQO-VHDGCEQUSA-N 1 1 328.420 0.916 20 30 ECEDMO C=C(Br)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001051240632 761743098 /nfs/dbraw/zinc/74/30/98/761743098.db2.gz IFTBBUKMLJMDCJ-OLZOCXBDSA-N 1 1 346.269 0.664 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCc2cccc3c2CCN(CC#N)C3)C1 ZINC001051284418 761825588 /nfs/dbraw/zinc/82/55/88/761825588.db2.gz SHOBPYRIRHYSSZ-KRWDZBQOSA-N 1 1 328.416 0.515 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCc2cccc3c2CCN(CC#N)C3)C1 ZINC001051284418 761825594 /nfs/dbraw/zinc/82/55/94/761825594.db2.gz SHOBPYRIRHYSSZ-KRWDZBQOSA-N 1 1 328.416 0.515 20 30 ECEDMO CC#CC[N@H+]1CCc2c(CNC(=O)[C@H]3COC(=O)N3)cccc2C1 ZINC001051286011 761826860 /nfs/dbraw/zinc/82/68/60/761826860.db2.gz BGBADKAYRJYFKC-MRXNPFEDSA-N 1 1 327.384 0.793 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CC(=O)N(C)C3)cccc2C1 ZINC001051290306 761836604 /nfs/dbraw/zinc/83/66/04/761836604.db2.gz SNQCVUWVTUHONH-INIZCTEOSA-N 1 1 325.412 0.772 20 30 ECEDMO C=CC[N@H+]1CCc2c(CNC(=O)[C@H]3CCS(=O)(=O)N3)cccc2C1 ZINC001051306819 761858594 /nfs/dbraw/zinc/85/85/94/761858594.db2.gz RSGVDIGWXOQGQB-MRXNPFEDSA-N 1 1 349.456 0.539 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001051314627 761874582 /nfs/dbraw/zinc/87/45/82/761874582.db2.gz PIDJZZSBQPSHKR-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001014466414 762722489 /nfs/dbraw/zinc/72/24/89/762722489.db2.gz CCRRRAYFHNFGGL-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cn(C)nn3)C2)cc1 ZINC001051747419 762862388 /nfs/dbraw/zinc/86/23/88/762862388.db2.gz MSBGMMKZBXQKCG-KRWDZBQOSA-N 1 1 339.399 0.427 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001051756256 762888207 /nfs/dbraw/zinc/88/82/07/762888207.db2.gz OLWOBNCNRHLNGO-CYBMUJFWSA-N 1 1 339.415 0.777 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)CC1=O ZINC001014615101 762906703 /nfs/dbraw/zinc/90/67/03/762906703.db2.gz HCVYHTOLSSKJKT-IAGOWNOFSA-N 1 1 325.412 0.707 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CC1=O ZINC001014615101 762906705 /nfs/dbraw/zinc/90/67/05/762906705.db2.gz HCVYHTOLSSKJKT-IAGOWNOFSA-N 1 1 325.412 0.707 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@@H](C[NH2+]Cc3nncn3C)C2)CC1 ZINC001051801833 762998455 /nfs/dbraw/zinc/99/84/55/762998455.db2.gz PTPFEMGPSVZWQK-HNNXBMFYSA-N 1 1 333.436 0.879 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)nnn3CC)C2)C1=O ZINC001014692939 763002317 /nfs/dbraw/zinc/00/23/17/763002317.db2.gz CWJVCOUKRDSHSU-KGLIPLIRSA-N 1 1 346.435 0.197 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)nnn3CC)C2)C1=O ZINC001014692939 763002322 /nfs/dbraw/zinc/00/23/22/763002322.db2.gz CWJVCOUKRDSHSU-KGLIPLIRSA-N 1 1 346.435 0.197 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001017544307 768099589 /nfs/dbraw/zinc/09/95/89/768099589.db2.gz MKFQSSXTWRBEKU-UMVBOHGHSA-N 1 1 334.420 0.140 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001017544307 768099597 /nfs/dbraw/zinc/09/95/97/768099597.db2.gz MKFQSSXTWRBEKU-UMVBOHGHSA-N 1 1 334.420 0.140 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncccn3)C2)c1 ZINC001051815805 763030673 /nfs/dbraw/zinc/03/06/73/763030673.db2.gz CCRPFXNIJWGTSD-INIZCTEOSA-N 1 1 337.383 0.484 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001014732506 763050713 /nfs/dbraw/zinc/05/07/13/763050713.db2.gz UIJVUEXFXBOUOQ-GXTWGEPZSA-N 1 1 330.388 0.283 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001014732506 763050719 /nfs/dbraw/zinc/05/07/19/763050719.db2.gz UIJVUEXFXBOUOQ-GXTWGEPZSA-N 1 1 330.388 0.283 20 30 ECEDMO Cc1cc(NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C#N)cn1 ZINC001105972835 763135565 /nfs/dbraw/zinc/13/55/65/763135565.db2.gz QOKIOBAMGJAPCY-WBVHZDCISA-N 1 1 345.447 0.445 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(C)n(C)n2)C1 ZINC001014776867 763135530 /nfs/dbraw/zinc/13/55/30/763135530.db2.gz RBYWVBCMVUGXKB-RDJZCZTQSA-N 1 1 329.448 0.517 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(C)n(C)n2)C1 ZINC001014776867 763135535 /nfs/dbraw/zinc/13/55/35/763135535.db2.gz RBYWVBCMVUGXKB-RDJZCZTQSA-N 1 1 329.448 0.517 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001105973147 763138403 /nfs/dbraw/zinc/13/84/03/763138403.db2.gz VBVLYXUTDPDUQX-GOEBONIOSA-N 1 1 331.420 0.137 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001105973303 763140201 /nfs/dbraw/zinc/14/02/01/763140201.db2.gz WJUXZXUYDPZSJS-TZMCWYRMSA-N 1 1 332.408 0.110 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCNC(=O)C1 ZINC001089850882 763172059 /nfs/dbraw/zinc/17/20/59/763172059.db2.gz QYEOBWSDMAEYDW-YVSFHVDLSA-N 1 1 346.475 0.163 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COc1cnn(C)c1 ZINC001089853629 763195599 /nfs/dbraw/zinc/19/55/99/763195599.db2.gz WPLLKTBXQGFNMF-ORQFMDKSSA-N 1 1 328.416 0.601 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001105983208 763219957 /nfs/dbraw/zinc/21/99/57/763219957.db2.gz YXVJVGAEIGKSIL-CABCVRRESA-N 1 1 346.435 0.500 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001014819425 763233360 /nfs/dbraw/zinc/23/33/60/763233360.db2.gz ZDOWGLZJULLZOA-ZIAGYGMSSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001014819425 763233368 /nfs/dbraw/zinc/23/33/68/763233368.db2.gz ZDOWGLZJULLZOA-ZIAGYGMSSA-N 1 1 331.420 0.320 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001089857471 763260651 /nfs/dbraw/zinc/26/06/51/763260651.db2.gz BKFJZJVNSJOGQJ-YXWQFLTLSA-N 1 1 328.416 0.931 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001089857471 763260659 /nfs/dbraw/zinc/26/06/59/763260659.db2.gz BKFJZJVNSJOGQJ-YXWQFLTLSA-N 1 1 328.416 0.931 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001089857471 763260665 /nfs/dbraw/zinc/26/06/65/763260665.db2.gz BKFJZJVNSJOGQJ-YXWQFLTLSA-N 1 1 328.416 0.931 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051916635 763319900 /nfs/dbraw/zinc/31/99/00/763319900.db2.gz IMZQSEPNVMOIQC-KRWDZBQOSA-N 1 1 340.383 0.611 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001046929011 763403679 /nfs/dbraw/zinc/40/36/79/763403679.db2.gz NRGXTTSTHIWILJ-CHWSQXEVSA-N 1 1 327.375 0.609 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCC2(F)F)[nH]1 ZINC001046930609 763409234 /nfs/dbraw/zinc/40/92/34/763409234.db2.gz DBYVQYPOSQQYMJ-LLVKDONJSA-N 1 1 326.347 0.956 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CC(Nc3cnc(C#N)cn3)C2)C1 ZINC001051947902 763419958 /nfs/dbraw/zinc/41/99/58/763419958.db2.gz NWMVEUQYFNURGM-PIMMBPRGSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2CC(Nc3cnc(C#N)cn3)C2)C1 ZINC001051947902 763419962 /nfs/dbraw/zinc/41/99/62/763419962.db2.gz NWMVEUQYFNURGM-PIMMBPRGSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccncc3C#N)C2)C1 ZINC001051948651 763421331 /nfs/dbraw/zinc/42/13/31/763421331.db2.gz WWLGTAUSHROKAE-PGEKIEPBSA-N 1 1 343.431 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccncc3C#N)C2)C1 ZINC001051948651 763421335 /nfs/dbraw/zinc/42/13/35/763421335.db2.gz WWLGTAUSHROKAE-PGEKIEPBSA-N 1 1 343.431 0.403 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)c1 ZINC001031896494 763423644 /nfs/dbraw/zinc/42/36/44/763423644.db2.gz HHFVQGBBKSMRKU-JKSUJKDBSA-N 1 1 326.400 0.618 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001046944622 763433005 /nfs/dbraw/zinc/43/30/05/763433005.db2.gz OMMBWDBUNAFXQA-NSHDSACASA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001046944622 763433009 /nfs/dbraw/zinc/43/30/09/763433009.db2.gz OMMBWDBUNAFXQA-NSHDSACASA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C(C)C)n2C)C1 ZINC001030462174 763435943 /nfs/dbraw/zinc/43/59/43/763435943.db2.gz KGMAAVLBGAIEQU-HNNXBMFYSA-N 1 1 344.463 0.337 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C(C)C)n2C)C1 ZINC001030462174 763435949 /nfs/dbraw/zinc/43/59/49/763435949.db2.gz KGMAAVLBGAIEQU-HNNXBMFYSA-N 1 1 344.463 0.337 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001046947866 763439852 /nfs/dbraw/zinc/43/98/52/763439852.db2.gz YOBGXELLUFXTCV-NSHDSACASA-N 1 1 334.330 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001046947866 763439858 /nfs/dbraw/zinc/43/98/58/763439858.db2.gz YOBGXELLUFXTCV-NSHDSACASA-N 1 1 334.330 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001046955569 763457311 /nfs/dbraw/zinc/45/73/11/763457311.db2.gz DBIIXUIYLQZHKT-QWHCGFSZSA-N 1 1 342.390 0.484 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001046955569 763457317 /nfs/dbraw/zinc/45/73/17/763457317.db2.gz DBIIXUIYLQZHKT-QWHCGFSZSA-N 1 1 342.390 0.484 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(OC)n(C)n2)C1 ZINC001046955566 763457647 /nfs/dbraw/zinc/45/76/47/763457647.db2.gz DAWIHPBJXJGCNZ-NSHDSACASA-N 1 1 326.347 0.749 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(OC)n(C)n2)C1 ZINC001046955566 763457650 /nfs/dbraw/zinc/45/76/50/763457650.db2.gz DAWIHPBJXJGCNZ-NSHDSACASA-N 1 1 326.347 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001046964999 763477389 /nfs/dbraw/zinc/47/73/89/763477389.db2.gz HQQCDIDXVZSYRX-CABCVRRESA-N 1 1 335.448 0.066 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001046964999 763477397 /nfs/dbraw/zinc/47/73/97/763477397.db2.gz HQQCDIDXVZSYRX-CABCVRRESA-N 1 1 335.448 0.066 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001105994934 763479624 /nfs/dbraw/zinc/47/96/24/763479624.db2.gz KKJGEEOMBJWBCC-CABCVRRESA-N 1 1 346.435 0.500 20 30 ECEDMO N#Cc1nccnc1NC[C@@H](O)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001105995070 763482441 /nfs/dbraw/zinc/48/24/41/763482441.db2.gz LPEROWJHEVFGRV-DGCLKSJQSA-N 1 1 341.375 0.011 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001105996064 763489374 /nfs/dbraw/zinc/48/93/74/763489374.db2.gz ZVUNPSPOABYNMB-KGLIPLIRSA-N 1 1 346.435 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 ZINC001046988175 763520408 /nfs/dbraw/zinc/52/04/08/763520408.db2.gz GVOIFIMZQQUZAS-GFCCVEGCSA-N 1 1 337.374 0.863 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 ZINC001046988175 763520412 /nfs/dbraw/zinc/52/04/12/763520412.db2.gz GVOIFIMZQQUZAS-GFCCVEGCSA-N 1 1 337.374 0.863 20 30 ECEDMO CN(CCOCCNc1nccnc1C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001127320355 768140676 /nfs/dbraw/zinc/14/06/76/768140676.db2.gz RMOLGXPCZRIPHA-CYBMUJFWSA-N 1 1 332.408 0.187 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001046996905 763538664 /nfs/dbraw/zinc/53/86/64/763538664.db2.gz ZYUXJWFUAUJLEJ-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001046996905 763538670 /nfs/dbraw/zinc/53/86/70/763538670.db2.gz ZYUXJWFUAUJLEJ-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC3OCCCO3)C2)CC1 ZINC001052019485 763600345 /nfs/dbraw/zinc/60/03/45/763600345.db2.gz ZZZWVWCWTCEUQI-MRXNPFEDSA-N 1 1 335.448 0.381 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccc(F)cn3)C2)C1=O ZINC001014978962 763600718 /nfs/dbraw/zinc/60/07/18/763600718.db2.gz OHDRPXDKEKTLBQ-JKSUJKDBSA-N 1 1 346.406 0.741 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(F)cn3)C2)C1=O ZINC001014978962 763600722 /nfs/dbraw/zinc/60/07/22/763600722.db2.gz OHDRPXDKEKTLBQ-JKSUJKDBSA-N 1 1 346.406 0.741 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4ccncc34)C2)CC1 ZINC001052035558 763642993 /nfs/dbraw/zinc/64/29/93/763642993.db2.gz DOPCTXFBDJVUFX-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C2)CC1 ZINC001052036065 763646121 /nfs/dbraw/zinc/64/61/21/763646121.db2.gz YQLVDIZNABVUPX-ZDUSSCGKSA-N 1 1 339.403 0.314 20 30 ECEDMO CC#CCN1CCN([C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001052036163 763648155 /nfs/dbraw/zinc/64/81/55/763648155.db2.gz GUSUQEMBWMXRII-SFHVURJKSA-N 1 1 332.492 0.713 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C2)CC1 ZINC001052036525 763649088 /nfs/dbraw/zinc/64/90/88/763649088.db2.gz OEMLULYFFHCGHF-INIZCTEOSA-N 1 1 344.463 0.560 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C2)CC1 ZINC001052036525 763649094 /nfs/dbraw/zinc/64/90/94/763649094.db2.gz OEMLULYFFHCGHF-INIZCTEOSA-N 1 1 344.463 0.560 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C2)CC1 ZINC001052044924 763681385 /nfs/dbraw/zinc/68/13/85/763681385.db2.gz NSGHXIKKKICLPT-KRWDZBQOSA-N 1 1 340.427 0.251 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052047044 763688340 /nfs/dbraw/zinc/68/83/40/763688340.db2.gz HNDOMJSOEADOKI-MSOLQXFVSA-N 1 1 346.475 0.097 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 ZINC001106010608 763689229 /nfs/dbraw/zinc/68/92/29/763689229.db2.gz CAWCCVSZWSQWDO-ZDUSSCGKSA-N 1 1 334.424 0.276 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)no1 ZINC001106009844 763696137 /nfs/dbraw/zinc/69/61/37/763696137.db2.gz INHWKLCPJHSMPZ-ZDUSSCGKSA-N 1 1 344.375 0.206 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3nccn3C)C2)CC1 ZINC001052056904 763728659 /nfs/dbraw/zinc/72/86/59/763728659.db2.gz IFBHQIAYRVLMRT-INIZCTEOSA-N 1 1 331.464 0.757 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)s1 ZINC001015046235 763746052 /nfs/dbraw/zinc/74/60/52/763746052.db2.gz YSWFTPUGZZLQPJ-RYUDHWBXSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)s1 ZINC001015046235 763746061 /nfs/dbraw/zinc/74/60/61/763746061.db2.gz YSWFTPUGZZLQPJ-RYUDHWBXSA-N 1 1 332.429 0.836 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnc(OC)c3)C2)C1=O ZINC001015051519 763756165 /nfs/dbraw/zinc/75/61/65/763756165.db2.gz BMNMFMKXMGYWLZ-HUUCEWRRSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccnc(OC)c3)C2)C1=O ZINC001015051519 763756171 /nfs/dbraw/zinc/75/61/71/763756171.db2.gz BMNMFMKXMGYWLZ-HUUCEWRRSA-N 1 1 344.415 0.681 20 30 ECEDMO COc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)nc1 ZINC001052070005 763767141 /nfs/dbraw/zinc/76/71/41/763767141.db2.gz AQTXGJSKXRUBBZ-MRXNPFEDSA-N 1 1 343.431 0.375 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001047185203 763781143 /nfs/dbraw/zinc/78/11/43/763781143.db2.gz QTHGSRIETRZPBL-IHRRRGAJSA-N 1 1 342.399 0.162 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081356 763797716 /nfs/dbraw/zinc/79/77/16/763797716.db2.gz AETWYRYKTIYURO-QZTJIDSGSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081356 763797723 /nfs/dbraw/zinc/79/77/23/763797723.db2.gz AETWYRYKTIYURO-QZTJIDSGSA-N 1 1 332.492 0.713 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#CC)CC3)C2)c1 ZINC001052082848 763802826 /nfs/dbraw/zinc/80/28/26/763802826.db2.gz XRGJMZHCJICMTF-LJQANCHMSA-N 1 1 336.439 0.918 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001077574970 763815052 /nfs/dbraw/zinc/81/50/52/763815052.db2.gz AYJUWVCENYKPCL-ZIAGYGMSSA-N 1 1 331.407 0.701 20 30 ECEDMO C[C@H](CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)n1ccnc1 ZINC001052087747 763820400 /nfs/dbraw/zinc/82/04/00/763820400.db2.gz BMPPNRJWLHWSOK-CVEARBPZSA-N 1 1 330.436 0.576 20 30 ECEDMO Cc1nn(C)cc1CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052092674 763832578 /nfs/dbraw/zinc/83/25/78/763832578.db2.gz GFRZMEFIMRAZEM-QGZVFWFLSA-N 1 1 344.463 0.403 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)COC3CCOCC3)C2)CC1 ZINC001052094633 763840632 /nfs/dbraw/zinc/84/06/32/763840632.db2.gz WULDGBFTTBCHRA-KRWDZBQOSA-N 1 1 349.475 0.424 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2nccnc2C#N)C1 ZINC001106344753 768172506 /nfs/dbraw/zinc/17/25/06/768172506.db2.gz PNSZBWNEYMEHGK-GXTWGEPZSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2nccnc2C#N)C1 ZINC001106344753 768172514 /nfs/dbraw/zinc/17/25/14/768172514.db2.gz PNSZBWNEYMEHGK-GXTWGEPZSA-N 1 1 332.408 0.376 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)CC1 ZINC001052108720 763893185 /nfs/dbraw/zinc/89/31/85/763893185.db2.gz PQZRURNTHFOHCS-CQSZACIVSA-N 1 1 344.415 0.261 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3[nH]cnc3C)C2)CC1 ZINC001052113254 763911210 /nfs/dbraw/zinc/91/12/10/763911210.db2.gz QNBJZDIQECWTSV-INIZCTEOSA-N 1 1 329.448 0.502 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113519 763912463 /nfs/dbraw/zinc/91/24/63/763912463.db2.gz XSNRZVUUTZCYPI-IAGOWNOFSA-N 1 1 346.475 0.287 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3ccccc3=O)C2)CC1 ZINC001052116931 763925807 /nfs/dbraw/zinc/92/58/07/763925807.db2.gz BCMXLGOOAHGMNK-MRXNPFEDSA-N 1 1 330.432 0.253 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3ccccc3=O)C2)CC1 ZINC001052116931 763925809 /nfs/dbraw/zinc/92/58/09/763925809.db2.gz BCMXLGOOAHGMNK-MRXNPFEDSA-N 1 1 330.432 0.253 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3nccs3)C2)CC1 ZINC001052118156 763931793 /nfs/dbraw/zinc/93/17/93/763931793.db2.gz MRDWHCXXQDRGDN-HNNXBMFYSA-N 1 1 332.473 0.927 20 30 ECEDMO CN(C(=O)c1cc[nH]n1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047310459 763951754 /nfs/dbraw/zinc/95/17/54/763951754.db2.gz FFZDUBIZOFYKDJ-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1cc[nH]n1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047310459 763951760 /nfs/dbraw/zinc/95/17/60/763951760.db2.gz FFZDUBIZOFYKDJ-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1ccn[nH]1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047310459 763951765 /nfs/dbraw/zinc/95/17/65/763951765.db2.gz FFZDUBIZOFYKDJ-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1ccn[nH]1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047310459 763951772 /nfs/dbraw/zinc/95/17/72/763951772.db2.gz FFZDUBIZOFYKDJ-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1ccnn1C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047321138 763987023 /nfs/dbraw/zinc/98/70/23/763987023.db2.gz ACSIURANFPLUNF-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO CN(C(=O)c1ccnn1C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047321138 763987028 /nfs/dbraw/zinc/98/70/28/763987028.db2.gz ACSIURANFPLUNF-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)C3=COCCO3)CC2)C1=O ZINC001052173756 764007185 /nfs/dbraw/zinc/00/71/85/764007185.db2.gz ZQSPTRGANJAYFT-GJZGRUSLSA-N 1 1 349.431 0.632 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3ccc(C)n3)[C@H]2C)C1=O ZINC001088866195 764022912 /nfs/dbraw/zinc/02/29/12/764022912.db2.gz DUKKGZLBPVBDHW-OWCLPIDISA-N 1 1 345.447 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3ccc(C)n3)[C@H]2C)C1=O ZINC001088866195 764022916 /nfs/dbraw/zinc/02/29/16/764022916.db2.gz DUKKGZLBPVBDHW-OWCLPIDISA-N 1 1 345.447 0.557 20 30 ECEDMO CN(C(=O)C[C@H]1CCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047330717 764023481 /nfs/dbraw/zinc/02/34/81/764023481.db2.gz VCNUAAJEMMHWRB-SQNIBIBYSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)C[C@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047330717 764023488 /nfs/dbraw/zinc/02/34/88/764023488.db2.gz VCNUAAJEMMHWRB-SQNIBIBYSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001047337798 764044774 /nfs/dbraw/zinc/04/47/74/764044774.db2.gz JAYPNGPZFXENGT-PVAVHDDUSA-N 1 1 346.431 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(C4CC4)n[nH]3)C2)C1=O ZINC001032001005 764065373 /nfs/dbraw/zinc/06/53/73/764065373.db2.gz GNZRKDJURCSYLY-MRXNPFEDSA-N 1 1 343.431 0.736 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001052220533 764079662 /nfs/dbraw/zinc/07/96/62/764079662.db2.gz KSMYEHADDQUBQC-DZGCQCFKSA-N 1 1 334.420 0.605 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(OC)nc3)C2)C1=O ZINC001015185855 764097926 /nfs/dbraw/zinc/09/79/26/764097926.db2.gz KUMFHTFKFRJOFO-CABCVRRESA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(OC)nc3)C2)C1=O ZINC001015185855 764097932 /nfs/dbraw/zinc/09/79/32/764097932.db2.gz KUMFHTFKFRJOFO-CABCVRRESA-N 1 1 344.415 0.681 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](CNCc3cnon3)C2)CC1 ZINC000995228031 764105070 /nfs/dbraw/zinc/10/50/70/764105070.db2.gz HAFGEKYRXACAHP-GDBMZVCRSA-N 1 1 345.447 0.789 20 30 ECEDMO CN(C(=O)C1=CCOCC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047359112 764109543 /nfs/dbraw/zinc/10/95/43/764109543.db2.gz PFFZDBQUTDEXCP-ROUUACIJSA-N 1 1 341.411 0.908 20 30 ECEDMO CN(C(=O)C1=CCOCC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047359112 764109546 /nfs/dbraw/zinc/10/95/46/764109546.db2.gz PFFZDBQUTDEXCP-ROUUACIJSA-N 1 1 341.411 0.908 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncnc3sccc32)C1 ZINC001047385801 764182156 /nfs/dbraw/zinc/18/21/56/764182156.db2.gz ZIUHWZVDCMMJBZ-STQMWFEESA-N 1 1 330.413 0.832 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106057588 764183025 /nfs/dbraw/zinc/18/30/25/764183025.db2.gz CVQPHUUMRKMTHX-OCCSQVGLSA-N 1 1 335.383 0.466 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001047396522 764207990 /nfs/dbraw/zinc/20/79/90/764207990.db2.gz LPJOLCHTDPLFTP-HOTGVXAUSA-N 1 1 342.399 0.616 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001047396522 764207996 /nfs/dbraw/zinc/20/79/96/764207996.db2.gz LPJOLCHTDPLFTP-HOTGVXAUSA-N 1 1 342.399 0.616 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398308 764215949 /nfs/dbraw/zinc/21/59/49/764215949.db2.gz JZYFPIHUYXZTFN-XIRDDKMYSA-N 1 1 349.475 0.550 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398308 764215956 /nfs/dbraw/zinc/21/59/56/764215956.db2.gz JZYFPIHUYXZTFN-XIRDDKMYSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)n[nH]2)C1 ZINC001047398525 764217174 /nfs/dbraw/zinc/21/71/74/764217174.db2.gz SNMCMCAYHQAJJM-QWRGUYRKSA-N 1 1 343.225 0.865 20 30 ECEDMO C=CCn1cc(C(=O)NCC2C[NH+](CCO[C@H]3CC3(F)F)C2)nn1 ZINC001032035024 764227768 /nfs/dbraw/zinc/22/77/68/764227768.db2.gz LFUDNOYFSJNZCO-ZDUSSCGKSA-N 1 1 341.362 0.550 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001047407531 764249001 /nfs/dbraw/zinc/24/90/01/764249001.db2.gz JLFQZFYCZDGGDE-HOTGVXAUSA-N 1 1 325.368 0.691 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001047407531 764249011 /nfs/dbraw/zinc/24/90/11/764249011.db2.gz JLFQZFYCZDGGDE-HOTGVXAUSA-N 1 1 325.368 0.691 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001047413527 764268976 /nfs/dbraw/zinc/26/89/76/764268976.db2.gz LJLSCNVZJPYJLV-NJAFHUGGSA-N 1 1 327.428 0.747 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001047413527 764268979 /nfs/dbraw/zinc/26/89/79/764268979.db2.gz LJLSCNVZJPYJLV-NJAFHUGGSA-N 1 1 327.428 0.747 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001047415001 764274104 /nfs/dbraw/zinc/27/41/04/764274104.db2.gz AVZAXIPEIDFGRQ-XSLAGTTESA-N 1 1 349.475 0.157 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](Cn1cccn1)N(C)C ZINC001017617879 768201176 /nfs/dbraw/zinc/20/11/76/768201176.db2.gz VAOYXQLKFNZUCL-BBWFWOEESA-N 1 1 329.448 0.512 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ncn(C)n3)CC2)C1=O ZINC001052358799 764326540 /nfs/dbraw/zinc/32/65/40/764326540.db2.gz OVKVXRNXLMWLLO-UONOGXRCSA-N 1 1 346.435 0.186 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001047439586 764350148 /nfs/dbraw/zinc/35/01/48/764350148.db2.gz MKHSPVBHTBDSIP-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001047439586 764350153 /nfs/dbraw/zinc/35/01/53/764350153.db2.gz MKHSPVBHTBDSIP-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3sccn3c2=O)C1 ZINC001047446951 764373669 /nfs/dbraw/zinc/37/36/69/764373669.db2.gz GGYIGLLOORXBRP-RYUDHWBXSA-N 1 1 334.401 0.059 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001047448609 764379034 /nfs/dbraw/zinc/37/90/34/764379034.db2.gz RHMMXCMWNLGYFY-ROUUACIJSA-N 1 1 343.427 0.714 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)ncc1=O ZINC001015330592 764388284 /nfs/dbraw/zinc/38/82/84/764388284.db2.gz SYBXBKSOQFKGBP-OAHLLOKOSA-N 1 1 337.383 0.656 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001047467660 764427348 /nfs/dbraw/zinc/42/73/48/764427348.db2.gz KYGDDTZENQFKNV-RDGPPVDQSA-N 1 1 341.455 0.993 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001047467660 764427351 /nfs/dbraw/zinc/42/73/51/764427351.db2.gz KYGDDTZENQFKNV-RDGPPVDQSA-N 1 1 341.455 0.993 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cc(F)ccc3n2)C1 ZINC001047473669 764445823 /nfs/dbraw/zinc/44/58/23/764445823.db2.gz YNCCICRJEXEUQT-GJZGRUSLSA-N 1 1 330.363 0.153 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cc(F)ccc3n2)C1 ZINC001047473669 764445830 /nfs/dbraw/zinc/44/58/30/764445830.db2.gz YNCCICRJEXEUQT-GJZGRUSLSA-N 1 1 330.363 0.153 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001047479695 764467879 /nfs/dbraw/zinc/46/78/79/764467879.db2.gz UWUZMANANXRPOK-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001047479695 764467884 /nfs/dbraw/zinc/46/78/84/764467884.db2.gz UWUZMANANXRPOK-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c(C)csc3n2)C1 ZINC001047480141 764468519 /nfs/dbraw/zinc/46/85/19/764468519.db2.gz ICZKYYVUAOOBJU-GJZGRUSLSA-N 1 1 346.456 0.774 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c(C)csc3n2)C1 ZINC001047480141 764468522 /nfs/dbraw/zinc/46/85/22/764468522.db2.gz ICZKYYVUAOOBJU-GJZGRUSLSA-N 1 1 346.456 0.774 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)C1=O ZINC001047497203 764510673 /nfs/dbraw/zinc/51/06/73/764510673.db2.gz RSLFDPOFUACTMP-GGUVTUNTSA-N 1 1 347.459 0.323 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)C1=O ZINC001047497203 764510681 /nfs/dbraw/zinc/51/06/81/764510681.db2.gz RSLFDPOFUACTMP-GGUVTUNTSA-N 1 1 347.459 0.323 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001047502110 764529723 /nfs/dbraw/zinc/52/97/23/764529723.db2.gz VQQZPPPFGHTXSP-KKUMJFAQSA-N 1 1 332.404 0.402 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(CC(F)F)CC2)C1 ZINC001047504062 764534871 /nfs/dbraw/zinc/53/48/71/764534871.db2.gz YLODOPINLJULDW-KBPBESRZSA-N 1 1 329.391 0.100 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(CC(F)F)CC2)C1 ZINC001047504062 764534878 /nfs/dbraw/zinc/53/48/78/764534878.db2.gz YLODOPINLJULDW-KBPBESRZSA-N 1 1 329.391 0.100 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083780883 764549160 /nfs/dbraw/zinc/54/91/60/764549160.db2.gz NSEHNSADVLTDNY-YUELXQCFSA-N 1 1 338.839 0.668 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2O)C1 ZINC001047519647 764574018 /nfs/dbraw/zinc/57/40/18/764574018.db2.gz LBCZNBLZBNXCFP-ILXRZTDVSA-N 1 1 335.448 0.467 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2O)C1 ZINC001047519647 764574020 /nfs/dbraw/zinc/57/40/20/764574020.db2.gz LBCZNBLZBNXCFP-ILXRZTDVSA-N 1 1 335.448 0.467 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001047520915 764577895 /nfs/dbraw/zinc/57/78/95/764577895.db2.gz GORFEOQQOXURIL-IRXDYDNUSA-N 1 1 343.427 0.245 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001047520915 764577906 /nfs/dbraw/zinc/57/79/06/764577906.db2.gz GORFEOQQOXURIL-IRXDYDNUSA-N 1 1 343.427 0.245 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001047525090 764590057 /nfs/dbraw/zinc/59/00/57/764590057.db2.gz NAHMPDYLMJEQRW-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089874695 764594405 /nfs/dbraw/zinc/59/44/05/764594405.db2.gz IRLQNUKSCAPRDV-HNKHHVNMSA-N 1 1 343.427 0.231 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001032114871 764618786 /nfs/dbraw/zinc/61/87/86/764618786.db2.gz MCJUAZGZAHIVMF-CYBMUJFWSA-N 1 1 346.431 0.785 20 30 ECEDMO N#CCN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001089877469 764623913 /nfs/dbraw/zinc/62/39/13/764623913.db2.gz ZXJAMTSUAIGREP-QAETUUGQSA-N 1 1 332.448 0.401 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001077481731 764628247 /nfs/dbraw/zinc/62/82/47/764628247.db2.gz CNYGFEWPDHAVSK-HUUCEWRRSA-N 1 1 329.404 0.628 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnnn1 ZINC001089879833 764636214 /nfs/dbraw/zinc/63/62/14/764636214.db2.gz FNHVRCIKIMBRKR-FZKCQIBNSA-N 1 1 330.436 0.808 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnn(C(C)C)c3)C2)C1=O ZINC001032120821 764664821 /nfs/dbraw/zinc/66/48/21/764664821.db2.gz KYZSVRRUTXVOEJ-INIZCTEOSA-N 1 1 345.447 0.913 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc(C)cnc23)C1 ZINC001047549728 764665401 /nfs/dbraw/zinc/66/54/01/764665401.db2.gz GIQWMMOUWRQPHV-GJZGRUSLSA-N 1 1 329.404 0.731 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCS(=O)(=O)NC ZINC001099070580 764669290 /nfs/dbraw/zinc/66/92/90/764669290.db2.gz ZVVJVYKRKGWBIP-CYBMUJFWSA-N 1 1 329.466 0.166 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]2O)nn1 ZINC001047554157 764679202 /nfs/dbraw/zinc/67/92/02/764679202.db2.gz MIRPRACPRXHWAD-GJZGRUSLSA-N 1 1 347.444 0.843 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2O)nn1 ZINC001047554157 764679211 /nfs/dbraw/zinc/67/92/11/764679211.db2.gz MIRPRACPRXHWAD-GJZGRUSLSA-N 1 1 347.444 0.843 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cn[nH]n3)CC2)C1=O ZINC001052521505 764681833 /nfs/dbraw/zinc/68/18/33/764681833.db2.gz YYMVZFCAXZCOKD-TZMCWYRMSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001052521505 764681837 /nfs/dbraw/zinc/68/18/37/764681837.db2.gz YYMVZFCAXZCOKD-TZMCWYRMSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001052521505 764681848 /nfs/dbraw/zinc/68/18/48/764681848.db2.gz YYMVZFCAXZCOKD-TZMCWYRMSA-N 1 1 332.408 0.176 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001052539871 764716686 /nfs/dbraw/zinc/71/66/86/764716686.db2.gz STUORTPOQMPSOR-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC001047572791 764733524 /nfs/dbraw/zinc/73/35/24/764733524.db2.gz FHGFBWUPMGIFOE-IRXDYDNUSA-N 1 1 343.427 0.806 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)nc2OCC)C1 ZINC001047580746 764762708 /nfs/dbraw/zinc/76/27/08/764762708.db2.gz SEQJTCXERDDVOR-HOTGVXAUSA-N 1 1 331.416 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001047585849 764782863 /nfs/dbraw/zinc/78/28/63/764782863.db2.gz UIXRPNCLELMQQU-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001047590443 764801229 /nfs/dbraw/zinc/80/12/29/764801229.db2.gz CQBWEWWEYKQHAF-HOTGVXAUSA-N 1 1 345.447 0.770 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001047594213 764815964 /nfs/dbraw/zinc/81/59/64/764815964.db2.gz QPJVEOGRWCYXAW-HOTGVXAUSA-N 1 1 325.372 0.018 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001047594213 764815971 /nfs/dbraw/zinc/81/59/71/764815971.db2.gz QPJVEOGRWCYXAW-HOTGVXAUSA-N 1 1 325.372 0.018 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC001052595530 764821194 /nfs/dbraw/zinc/82/11/94/764821194.db2.gz VXDNSURNUVZGHM-CYBMUJFWSA-N 1 1 327.388 0.549 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001047597413 764826144 /nfs/dbraw/zinc/82/61/44/764826144.db2.gz OSCJXZUOIQMOCT-STQMWFEESA-N 1 1 331.376 0.128 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001047597628 764826855 /nfs/dbraw/zinc/82/68/55/764826855.db2.gz WFTYZJJZEOCNMB-COXVUDFISA-N 1 1 332.448 0.984 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)nc(C)c2)C1 ZINC000991944045 764844518 /nfs/dbraw/zinc/84/45/18/764844518.db2.gz SYLATRVUAACTMB-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)nc(C)c2)C1 ZINC000991944045 764844521 /nfs/dbraw/zinc/84/45/21/764844521.db2.gz SYLATRVUAACTMB-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(s2)CCOC3)C1 ZINC001047602435 764847902 /nfs/dbraw/zinc/84/79/02/764847902.db2.gz KWBSDXDXAUOXJB-KBPBESRZSA-N 1 1 334.441 0.961 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(s2)CCOC3)C1 ZINC001047602435 764847910 /nfs/dbraw/zinc/84/79/10/764847910.db2.gz KWBSDXDXAUOXJB-KBPBESRZSA-N 1 1 334.441 0.961 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(OC)c2OC)C1 ZINC001047608924 764868761 /nfs/dbraw/zinc/86/87/61/764868761.db2.gz FXWFUCJVJXAZOH-GJZGRUSLSA-N 1 1 332.400 0.844 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnn(C)c3c2)C1 ZINC001047610109 764871853 /nfs/dbraw/zinc/87/18/53/764871853.db2.gz PBLMAYFHPFLSMB-HOTGVXAUSA-N 1 1 327.388 0.109 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnn(C)c3c2)C1 ZINC001047610109 764871863 /nfs/dbraw/zinc/87/18/63/764871863.db2.gz PBLMAYFHPFLSMB-HOTGVXAUSA-N 1 1 327.388 0.109 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)nc2C2CC2)C1 ZINC001047614723 764887513 /nfs/dbraw/zinc/88/75/13/764887513.db2.gz XQCGWVGPDHQBAM-HOTGVXAUSA-N 1 1 328.416 0.803 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047624740 764915820 /nfs/dbraw/zinc/91/58/20/764915820.db2.gz XRLSCXPNFFNYLP-XIRDDKMYSA-N 1 1 349.475 0.857 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1=O ZINC001015545580 764924055 /nfs/dbraw/zinc/92/40/55/764924055.db2.gz LMKBCCKZPQBXNL-IRXDYDNUSA-N 1 1 325.412 0.707 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1=O ZINC001015545580 764924060 /nfs/dbraw/zinc/92/40/60/764924060.db2.gz LMKBCCKZPQBXNL-IRXDYDNUSA-N 1 1 325.412 0.707 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001047629175 764931285 /nfs/dbraw/zinc/93/12/85/764931285.db2.gz YNSPIUDAVAVNCI-HOTGVXAUSA-N 1 1 328.372 0.810 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@H]2C)C1=O ZINC001089074256 764966130 /nfs/dbraw/zinc/96/61/30/764966130.db2.gz UTIUSNZOZPBXGY-ILXRZTDVSA-N 1 1 331.420 0.249 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@H]2C)C1=O ZINC001089074256 764966134 /nfs/dbraw/zinc/96/61/34/764966134.db2.gz UTIUSNZOZPBXGY-ILXRZTDVSA-N 1 1 331.420 0.249 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)nc[nH]c3=O)C2)C1=O ZINC001015586492 765005300 /nfs/dbraw/zinc/00/53/00/765005300.db2.gz IDAKGPZIIZNFMO-QWHCGFSZSA-N 1 1 345.403 0.082 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)nc[nH]c3=O)C2)C1=O ZINC001015586492 765005307 /nfs/dbraw/zinc/00/53/07/765005307.db2.gz IDAKGPZIIZNFMO-QWHCGFSZSA-N 1 1 345.403 0.082 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC001052699808 765006195 /nfs/dbraw/zinc/00/61/95/765006195.db2.gz BXKLKMHCUSVCLG-LLVKDONJSA-N 1 1 341.437 0.218 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC001052707272 765020401 /nfs/dbraw/zinc/02/04/01/765020401.db2.gz DJTSBJJJMNWHPI-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ncccc3F)C2)C1=O ZINC001015615940 765070652 /nfs/dbraw/zinc/07/06/52/765070652.db2.gz NYSWDENUQMTNPJ-XJKSGUPXSA-N 1 1 346.406 0.741 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ncccc3F)C2)C1=O ZINC001015615940 765070655 /nfs/dbraw/zinc/07/06/55/765070655.db2.gz NYSWDENUQMTNPJ-XJKSGUPXSA-N 1 1 346.406 0.741 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)cc1F ZINC001015625707 765096874 /nfs/dbraw/zinc/09/68/74/765096874.db2.gz CHSSOHOQHCQQMV-ZDUSSCGKSA-N 1 1 341.346 0.785 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)cc1F ZINC001015625707 765096882 /nfs/dbraw/zinc/09/68/82/765096882.db2.gz CHSSOHOQHCQQMV-ZDUSSCGKSA-N 1 1 341.346 0.785 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)CC2)nn1 ZINC001052774909 765098573 /nfs/dbraw/zinc/09/85/73/765098573.db2.gz NRBKRCLQOQJPIT-CHWSQXEVSA-N 1 1 334.424 0.183 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001099102979 765106961 /nfs/dbraw/zinc/10/69/61/765106961.db2.gz SPVURYGIFAJMTI-ZDUSSCGKSA-N 1 1 329.466 0.166 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000992009194 765142877 /nfs/dbraw/zinc/14/28/77/765142877.db2.gz PPBJOFPUXJRAKO-DNOWBOINSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnon3)CC2)C1=O ZINC001052807809 765160167 /nfs/dbraw/zinc/16/01/67/765160167.db2.gz XNIWXTFVSURKTF-JSGCOSHPSA-N 1 1 333.392 0.441 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CCNC1=O ZINC001015694700 765174370 /nfs/dbraw/zinc/17/43/70/765174370.db2.gz BCVHJDYLHVPSLZ-CRAIPNDOSA-N 1 1 326.400 0.775 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001015696489 765180957 /nfs/dbraw/zinc/18/09/57/765180957.db2.gz AZOWREKSCDTEAB-OWCLPIDISA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001052840899 765211196 /nfs/dbraw/zinc/21/11/96/765211196.db2.gz IXPZHKMIQDBVKA-HOCLYGCPSA-N 1 1 348.447 0.995 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015711567 765211954 /nfs/dbraw/zinc/21/19/54/765211954.db2.gz KSDGWMOABQOKET-KFWWJZLASA-N 1 1 342.399 0.379 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015711567 765211959 /nfs/dbraw/zinc/21/19/59/765211959.db2.gz KSDGWMOABQOKET-KFWWJZLASA-N 1 1 342.399 0.379 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC001052849096 765222950 /nfs/dbraw/zinc/22/29/50/765222950.db2.gz MBZMGPTWNSSABU-HNNXBMFYSA-N 1 1 345.447 0.375 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCN2CCCC2=O)C1 ZINC001015726444 765242708 /nfs/dbraw/zinc/24/27/08/765242708.db2.gz NCOPOZGXQPYBJU-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000992041332 765250973 /nfs/dbraw/zinc/25/09/73/765250973.db2.gz FABOSHABONGPNO-HGMXIMQMSA-N 1 1 329.404 0.605 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)CC2)nc1 ZINC001052875334 765276599 /nfs/dbraw/zinc/27/65/99/765276599.db2.gz MMYPAUJLHXCEDQ-GOEBONIOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)CC2)cn1 ZINC001052879530 765287851 /nfs/dbraw/zinc/28/78/51/765287851.db2.gz ZKJNNYJXPNTKBW-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc4ccccn4c3=O)CCC[C@H]12 ZINC000992052482 765297701 /nfs/dbraw/zinc/29/77/01/765297701.db2.gz SLSPKQXVUYZCNO-KSSFIOAISA-N 1 1 341.415 0.795 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC)C2)cc1 ZINC001015810073 765366582 /nfs/dbraw/zinc/36/65/82/765366582.db2.gz ZELPDSZRTJHTCW-UKRRQHHQSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)cc1 ZINC001015810073 765366587 /nfs/dbraw/zinc/36/65/87/765366587.db2.gz ZELPDSZRTJHTCW-UKRRQHHQSA-N 1 1 329.400 0.637 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)nn1 ZINC001015810144 765367210 /nfs/dbraw/zinc/36/72/10/765367210.db2.gz BBBMONOUAUTTPT-AWEZNQCLSA-N 1 1 346.435 0.281 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)NC)C2)cc1 ZINC001015810072 765367742 /nfs/dbraw/zinc/36/77/42/765367742.db2.gz ZELPDSZRTJHTCW-HIFRSBDPSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)cc1 ZINC001015810072 765367748 /nfs/dbraw/zinc/36/77/48/765367748.db2.gz ZELPDSZRTJHTCW-HIFRSBDPSA-N 1 1 329.400 0.637 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCC(=O)N3)C2)c1 ZINC001015834224 765403021 /nfs/dbraw/zinc/40/30/21/765403021.db2.gz ICDOYFZLIVCAKI-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CCCO)CC1 ZINC001052987202 765464043 /nfs/dbraw/zinc/46/40/43/765464043.db2.gz GVHHDSNQRZMJGB-OIISXLGYSA-N 1 1 334.464 0.668 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCO)CC1 ZINC001052987202 765464047 /nfs/dbraw/zinc/46/40/47/765464047.db2.gz GVHHDSNQRZMJGB-OIISXLGYSA-N 1 1 334.464 0.668 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC(N)=O)CC1 ZINC001052989493 765467133 /nfs/dbraw/zinc/46/71/33/765467133.db2.gz IHANVUVHMMVXCC-IYBDPMFKSA-N 1 1 348.491 0.824 20 30 ECEDMO Cc1n[nH]nc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052990675 765468553 /nfs/dbraw/zinc/46/85/53/765468553.db2.gz KTZLXJLXMAWWBV-GASCZTMLSA-N 1 1 343.435 0.390 20 30 ECEDMO Cc1nn[nH]c1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC#N)CC1 ZINC001052990675 765468557 /nfs/dbraw/zinc/46/85/57/765468557.db2.gz KTZLXJLXMAWWBV-GASCZTMLSA-N 1 1 343.435 0.390 20 30 ECEDMO Cc1nn[nH]c1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052990675 765468563 /nfs/dbraw/zinc/46/85/63/765468563.db2.gz KTZLXJLXMAWWBV-GASCZTMLSA-N 1 1 343.435 0.390 20 30 ECEDMO Cn1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)n1 ZINC001052990310 765468652 /nfs/dbraw/zinc/46/86/52/765468652.db2.gz VCJSLELCWABUAR-GASCZTMLSA-N 1 1 343.435 0.092 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001053036003 765512240 /nfs/dbraw/zinc/51/22/40/765512240.db2.gz GURKNGCNOWYKCW-CABCVRRESA-N 1 1 328.416 0.967 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000992113050 765525999 /nfs/dbraw/zinc/52/59/99/765525999.db2.gz YEYCAVRGFPNUSD-SSDMNJCBSA-N 1 1 346.435 0.183 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2ncnn2)C1 ZINC001053087467 765562682 /nfs/dbraw/zinc/56/26/82/765562682.db2.gz UAVORLAZIBPNDX-JKSUJKDBSA-N 1 1 330.436 0.790 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001053102141 765579917 /nfs/dbraw/zinc/57/99/17/765579917.db2.gz REZDOEGEGFFBFM-CABCVRRESA-N 1 1 346.431 0.265 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnc(OC)nc3)C2)C1=O ZINC001015938045 765580430 /nfs/dbraw/zinc/58/04/30/765580430.db2.gz IIBUCPGOTOQRFF-KGLIPLIRSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnc(OC)nc3)C2)C1=O ZINC001015938045 765580436 /nfs/dbraw/zinc/58/04/36/765580436.db2.gz IIBUCPGOTOQRFF-KGLIPLIRSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001053107109 765582438 /nfs/dbraw/zinc/58/24/38/765582438.db2.gz ZJQZKDCUGKAOAZ-HUUCEWRRSA-N 1 1 348.447 0.817 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001053107110 765583855 /nfs/dbraw/zinc/58/38/55/765583855.db2.gz ZJQZKDCUGKAOAZ-LSDHHAIUSA-N 1 1 348.447 0.817 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001015968636 765637572 /nfs/dbraw/zinc/63/75/72/765637572.db2.gz FERITVIDUWKKSI-UONOGXRCSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001015968636 765637576 /nfs/dbraw/zinc/63/75/76/765637576.db2.gz FERITVIDUWKKSI-UONOGXRCSA-N 1 1 344.415 0.729 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)[C@@H](O)C1 ZINC001083729555 768311681 /nfs/dbraw/zinc/31/16/81/768311681.db2.gz DDHRGGHDVYVRLH-UPJWGTAASA-N 1 1 333.354 0.055 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)nc1 ZINC001016028476 765731367 /nfs/dbraw/zinc/73/13/67/765731367.db2.gz YTJLQVPUTMQGMS-HNNXBMFYSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001016034940 765735816 /nfs/dbraw/zinc/73/58/16/765735816.db2.gz RVDPHSFMZQBEGD-LRDDRELGSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001016034940 765735820 /nfs/dbraw/zinc/73/58/20/765735820.db2.gz RVDPHSFMZQBEGD-LRDDRELGSA-N 1 1 326.400 0.534 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNc2ncc(C#N)cc2F)C1 ZINC001106104716 765753644 /nfs/dbraw/zinc/75/36/44/765753644.db2.gz PJHKSIGRHHWUDO-DGCLKSJQSA-N 1 1 335.383 0.323 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C)n1 ZINC001106107772 765838034 /nfs/dbraw/zinc/83/80/34/765838034.db2.gz DJDDROQCLFYWTJ-AWEZNQCLSA-N 1 1 348.451 0.524 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001106108029 765841506 /nfs/dbraw/zinc/84/15/06/765841506.db2.gz FUSZVEXCTBHBLS-GXTWGEPZSA-N 1 1 332.408 0.030 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)CCO2 ZINC001053256351 765853594 /nfs/dbraw/zinc/85/35/94/765853594.db2.gz ZTRTUPSAOHBCEK-IRXDYDNUSA-N 1 1 331.460 0.797 20 30 ECEDMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)ccc1=O ZINC001016182856 765877907 /nfs/dbraw/zinc/87/79/07/765877907.db2.gz WKVXEPXDWCACGZ-OAHLLOKOSA-N 1 1 337.383 0.656 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@@H](F)CC)C2)C1 ZINC001053291506 765920167 /nfs/dbraw/zinc/92/01/67/765920167.db2.gz UPPKPZQQZOKKLG-HOTGVXAUSA-N 1 1 337.439 0.745 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@@H](F)CC)C2)C1 ZINC001053291506 765920173 /nfs/dbraw/zinc/92/01/73/765920173.db2.gz UPPKPZQQZOKKLG-HOTGVXAUSA-N 1 1 337.439 0.745 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cccc(C#N)c3)C2)C1 ZINC001030837114 765937883 /nfs/dbraw/zinc/93/78/83/765937883.db2.gz GNRLUODJJJMJEO-GOSISDBHSA-N 1 1 342.443 0.968 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cccc(C#N)c3)C2)C1 ZINC001030837114 765937887 /nfs/dbraw/zinc/93/78/87/765937887.db2.gz GNRLUODJJJMJEO-GOSISDBHSA-N 1 1 342.443 0.968 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)CCO2 ZINC001053430459 766121458 /nfs/dbraw/zinc/12/14/58/766121458.db2.gz XVWXYHAHBMLULF-CABCVRRESA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)C(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992273413 766124256 /nfs/dbraw/zinc/12/42/56/766124256.db2.gz QJYCXRVDQSSBRK-PXAZEXFGSA-N 1 1 348.403 0.096 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H](C)[C@H]1CCC(=O)N1)CCO2 ZINC001053442292 766138954 /nfs/dbraw/zinc/13/89/54/766138954.db2.gz IHWNVGOQAUEZSC-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@H](CC)C(N)=O)CC3)nn1 ZINC000992300453 766199699 /nfs/dbraw/zinc/19/96/99/766199699.db2.gz FVVSBUHTNMIRDU-KEYYUXOJSA-N 1 1 346.435 0.455 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CCO2 ZINC001053537655 766301931 /nfs/dbraw/zinc/30/19/31/766301931.db2.gz JODIUDCYTDLFRW-AWEZNQCLSA-N 1 1 343.855 0.373 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CCO2 ZINC001053537655 766301938 /nfs/dbraw/zinc/30/19/38/766301938.db2.gz JODIUDCYTDLFRW-AWEZNQCLSA-N 1 1 343.855 0.373 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)[C@@H](O)C1 ZINC001083689906 766314574 /nfs/dbraw/zinc/31/45/74/766314574.db2.gz RPCQUFBQFLKSIL-SJORKVTESA-N 1 1 327.384 0.975 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@H]12 ZINC000992343652 766332345 /nfs/dbraw/zinc/33/23/45/766332345.db2.gz PORSFUQEMJDEDF-ZVRZEWSUSA-N 1 1 346.431 0.664 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001045782305 766363853 /nfs/dbraw/zinc/36/38/53/766363853.db2.gz DVKDTTUURYWJQA-RHSMWYFYSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@](C)(C=C)CC)C1 ZINC001045783552 766365943 /nfs/dbraw/zinc/36/59/43/766365943.db2.gz ZJBISNJKDGEEEA-YJBOKZPZSA-N 1 1 347.459 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@](C)(C=C)CC)C1 ZINC001045783552 766365951 /nfs/dbraw/zinc/36/59/51/766365951.db2.gz ZJBISNJKDGEEEA-YJBOKZPZSA-N 1 1 347.459 0.376 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC001045844847 766426779 /nfs/dbraw/zinc/42/67/79/766426779.db2.gz OJDLQMLREUVHNQ-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C)nc1CC)O2 ZINC001053613922 766434890 /nfs/dbraw/zinc/43/48/90/766434890.db2.gz PTDJAOBRRPZRFV-CQSZACIVSA-N 1 1 330.432 0.969 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCN(CC)C2=O)C1 ZINC001031680348 766448900 /nfs/dbraw/zinc/44/89/00/766448900.db2.gz APAQDAZRZCUZPE-OAGGEKHMSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992401065 766479279 /nfs/dbraw/zinc/47/92/79/766479279.db2.gz WWSMZMBGCIIJDM-RDTXWAMCSA-N 1 1 348.447 0.960 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001045930885 766501643 /nfs/dbraw/zinc/50/16/43/766501643.db2.gz XRLYUIIDXQARCF-GOSISDBHSA-N 1 1 343.431 0.951 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1)O2 ZINC001053649439 766511389 /nfs/dbraw/zinc/51/13/89/766511389.db2.gz MADFVXYRNJFBTK-IAGOWNOFSA-N 1 1 349.475 0.469 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCOCC1=O)C2 ZINC001045944209 766515335 /nfs/dbraw/zinc/51/53/35/766515335.db2.gz ZWYQDKFSSSACSU-LJQANCHMSA-N 1 1 347.459 0.573 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNc1ccncc1C#N ZINC001053653591 766518495 /nfs/dbraw/zinc/51/84/95/766518495.db2.gz QMHQOEZNPJQJJC-UNEWFSDZSA-N 1 1 327.432 0.976 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c(c3)C(=O)NC4=O)CCC[C@@H]12 ZINC000992417321 766525339 /nfs/dbraw/zinc/52/53/39/766525339.db2.gz CMDWPKRZGVSSMS-BEFAXECRSA-N 1 1 337.379 0.930 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)O2 ZINC001053660314 766531110 /nfs/dbraw/zinc/53/11/10/766531110.db2.gz JJMVXUWENYMSHP-LBPRGKRZSA-N 1 1 330.388 0.100 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001045971331 766540366 /nfs/dbraw/zinc/54/03/66/766540366.db2.gz SNORUQXZHOEBNO-RVKKMQEKSA-N 1 1 335.448 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)N(C)C)CC3)nc1 ZINC000992423575 766540604 /nfs/dbraw/zinc/54/06/04/766540604.db2.gz QVWOFLMYRWNWQA-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001045974424 766543134 /nfs/dbraw/zinc/54/31/34/766543134.db2.gz CFHHXZWRORNMKI-KRWDZBQOSA-N 1 1 334.420 0.429 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=O)NC)CC3)nc1 ZINC000992427713 766547523 /nfs/dbraw/zinc/54/75/23/766547523.db2.gz ZQAOWYYJKVSXBR-MAUKXSAKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)NC)CC3)nc1 ZINC000992427713 766547527 /nfs/dbraw/zinc/54/75/27/766547527.db2.gz ZQAOWYYJKVSXBR-MAUKXSAKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@@H]12 ZINC000992427559 766547971 /nfs/dbraw/zinc/54/79/71/766547971.db2.gz KUUHQDPPVLPWGV-DYVFJYSZSA-N 1 1 340.387 0.168 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1C(=O)CCC1=O)C2 ZINC001045983947 766556124 /nfs/dbraw/zinc/55/61/24/766556124.db2.gz SRVAPLFNGFMZMQ-IBGZPJMESA-N 1 1 345.443 0.863 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@]3(CCN(CC#N)C3)C2)C1 ZINC001045985724 766557676 /nfs/dbraw/zinc/55/76/76/766557676.db2.gz ATCLMOFEPCYSFI-WMZOPIPTSA-N 1 1 334.464 0.935 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@]3(CCN(CC#N)C3)C2)C1 ZINC001045985724 766557682 /nfs/dbraw/zinc/55/76/82/766557682.db2.gz ATCLMOFEPCYSFI-WMZOPIPTSA-N 1 1 334.464 0.935 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C(C)=O)CCO3)CCC[C@H]12 ZINC000992446301 766588563 /nfs/dbraw/zinc/58/85/63/766588563.db2.gz CCRKXLQLYJELJR-SOLBZPMBSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001212258132 766601035 /nfs/dbraw/zinc/60/10/35/766601035.db2.gz NOUHNZGBUSKHBM-YNEHKIRRSA-N 1 1 334.363 0.122 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001212258132 766601039 /nfs/dbraw/zinc/60/10/39/766601039.db2.gz NOUHNZGBUSKHBM-YNEHKIRRSA-N 1 1 334.363 0.122 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC001046000445 766601479 /nfs/dbraw/zinc/60/14/79/766601479.db2.gz SFIZWNKWQCDNRK-CQSZACIVSA-N 1 1 329.404 0.038 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3cncn3)CC2)C1 ZINC001046003248 766607474 /nfs/dbraw/zinc/60/74/74/766607474.db2.gz ZXBYQMKEUPCDJT-MRXNPFEDSA-N 1 1 332.452 0.463 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCn3cccn3)CC2)C1 ZINC001046006456 766614629 /nfs/dbraw/zinc/61/46/29/766614629.db2.gz LUSBESBZXVJPIK-KRWDZBQOSA-N 1 1 329.448 0.515 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C(C)=O)CCO3)CCC[C@H]12 ZINC000992455510 766615120 /nfs/dbraw/zinc/61/51/20/766615120.db2.gz LSCGERNAWUMEOE-SOLBZPMBSA-N 1 1 335.448 0.923 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccn3)C2)CC1 ZINC001046011241 766635788 /nfs/dbraw/zinc/63/57/88/766635788.db2.gz AXSLMTLKAHLBGZ-NVXWUHKLSA-N 1 1 327.432 0.960 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001046012092 766638464 /nfs/dbraw/zinc/63/84/64/766638464.db2.gz LCMHFPIGIWUANS-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nnn(C)c3C)CC2)C1 ZINC001046015501 766649547 /nfs/dbraw/zinc/64/95/47/766649547.db2.gz RHEAIMAZWRVBTI-INIZCTEOSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 ZINC000992475090 766664989 /nfs/dbraw/zinc/66/49/89/766664989.db2.gz MWAXETDFAQNYBR-XHDPSFHLSA-N 1 1 340.811 0.404 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 ZINC000992475090 766664992 /nfs/dbraw/zinc/66/49/92/766664992.db2.gz MWAXETDFAQNYBR-XHDPSFHLSA-N 1 1 340.811 0.404 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@](C)(O)C3CC3)CC2)C1 ZINC001046021227 766666105 /nfs/dbraw/zinc/66/61/05/766666105.db2.gz DEGXWYLGAHDSSW-IEBWSBKVSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1OC ZINC001212262148 766670702 /nfs/dbraw/zinc/67/07/02/766670702.db2.gz DPVZKKSKNXFNFJ-GVDBMIGSSA-N 1 1 338.448 0.801 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC001046023330 766672920 /nfs/dbraw/zinc/67/29/20/766672920.db2.gz KYGLLBBUUFCPIP-KRWDZBQOSA-N 1 1 336.480 0.113 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(NC(=O)CN3CCS(=O)(=O)CC3)CCC[C@H]12 ZINC000992480654 766679897 /nfs/dbraw/zinc/67/98/97/766679897.db2.gz UKTBEAHGVLLIKW-HOCLYGCPSA-N 1 1 341.477 0.016 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CN3CCS(=O)(=O)CC3)CCC[C@H]12 ZINC000992480654 766679898 /nfs/dbraw/zinc/67/98/98/766679898.db2.gz UKTBEAHGVLLIKW-HOCLYGCPSA-N 1 1 341.477 0.016 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046026881 766684812 /nfs/dbraw/zinc/68/48/12/766684812.db2.gz GRFYUXMMTZRMBA-RDJZCZTQSA-N 1 1 346.475 0.095 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccncc2C)C1 ZINC000994750929 766687499 /nfs/dbraw/zinc/68/74/99/766687499.db2.gz IWIKZBISWGQMLV-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccncc2C)C1 ZINC000994750929 766687507 /nfs/dbraw/zinc/68/75/07/766687507.db2.gz IWIKZBISWGQMLV-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccnn2C(C)C)C1 ZINC000994751844 766700553 /nfs/dbraw/zinc/70/05/53/766700553.db2.gz NQVSGDNBHGBNGK-HNNXBMFYSA-N 1 1 343.431 0.502 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccnn2C(C)C)C1 ZINC000994751844 766700559 /nfs/dbraw/zinc/70/05/59/766700559.db2.gz NQVSGDNBHGBNGK-HNNXBMFYSA-N 1 1 343.431 0.502 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC2CCOCC2)C1 ZINC000994752963 766704899 /nfs/dbraw/zinc/70/48/99/766704899.db2.gz XAVWUFNFBIPVDN-INIZCTEOSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC2CCOCC2)C1 ZINC000994752963 766704904 /nfs/dbraw/zinc/70/49/04/766704904.db2.gz XAVWUFNFBIPVDN-INIZCTEOSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2nc(C)c(C)s2)C1 ZINC000994754935 766707970 /nfs/dbraw/zinc/70/79/70/766707970.db2.gz OWKJFQDWIGPZOE-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2nc(C)c(C)s2)C1 ZINC000994754935 766707980 /nfs/dbraw/zinc/70/79/80/766707980.db2.gz OWKJFQDWIGPZOE-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@@H]12 ZINC000992496307 766709423 /nfs/dbraw/zinc/70/94/23/766709423.db2.gz SXPYKYZSSSFIMG-FZKQIMNGSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2occc2CC)C1 ZINC000994755027 766709600 /nfs/dbraw/zinc/70/96/00/766709600.db2.gz POARFWWAGUDHTH-HNNXBMFYSA-N 1 1 329.400 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2occc2CC)C1 ZINC000994755027 766709609 /nfs/dbraw/zinc/70/96/09/766709609.db2.gz POARFWWAGUDHTH-HNNXBMFYSA-N 1 1 329.400 0.880 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033564 766710216 /nfs/dbraw/zinc/71/02/16/766710216.db2.gz HZSXBESOUGWQAM-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCn3ccccc3=O)CC2)C1 ZINC001046034223 766712708 /nfs/dbraw/zinc/71/27/08/766712708.db2.gz RVEAMNCTIYTBMX-KRWDZBQOSA-N 1 1 342.443 0.090 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 ZINC001046035220 766719870 /nfs/dbraw/zinc/71/98/70/766719870.db2.gz HILQWMZLFQQNIN-IRXDYDNUSA-N 1 1 348.491 0.697 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]2O)C1 ZINC001083763567 766721580 /nfs/dbraw/zinc/72/15/80/766721580.db2.gz RBAPHYYYROGRRA-MCIONIFRSA-N 1 1 331.420 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cccnc2C)C1 ZINC000994756453 766721790 /nfs/dbraw/zinc/72/17/90/766721790.db2.gz XGBRVUOOPDKCMI-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cccnc2C)C1 ZINC000994756453 766721798 /nfs/dbraw/zinc/72/17/98/766721798.db2.gz XGBRVUOOPDKCMI-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2nccs2)C1 ZINC000994756251 766724964 /nfs/dbraw/zinc/72/49/64/766724964.db2.gz WEPKOGCLYPXJNT-AWEZNQCLSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2nccs2)C1 ZINC000994756251 766724966 /nfs/dbraw/zinc/72/49/66/766724966.db2.gz WEPKOGCLYPXJNT-AWEZNQCLSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2[nH]c(C)nc2C)C1 ZINC000994756279 766726438 /nfs/dbraw/zinc/72/64/38/766726438.db2.gz WKPGBSXYLFQSOJ-AWEZNQCLSA-N 1 1 329.404 0.065 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2[nH]c(C)nc2C)C1 ZINC000994756279 766726441 /nfs/dbraw/zinc/72/64/41/766726441.db2.gz WKPGBSXYLFQSOJ-AWEZNQCLSA-N 1 1 329.404 0.065 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CCC(NC(C)=O)CC2)C1 ZINC000994757454 766728810 /nfs/dbraw/zinc/72/88/10/766728810.db2.gz SAPDYZMQMMDLCC-HFCFLWKCSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CCC(NC(C)=O)CC2)C1 ZINC000994757454 766728812 /nfs/dbraw/zinc/72/88/12/766728812.db2.gz SAPDYZMQMMDLCC-HFCFLWKCSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(=O)n(C)cn3)CC2)C1 ZINC001046037152 766731147 /nfs/dbraw/zinc/73/11/47/766731147.db2.gz UAHKWNRNVYTZBP-HNNXBMFYSA-N 1 1 345.447 0.189 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC4CC4)[C@@H]3C2)c1 ZINC001041999003 782575486 /nfs/dbraw/zinc/57/54/86/782575486.db2.gz CYOMLLRCHJJAPI-XJKSGUPXSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC4CC4)[C@@H]3C2)c1 ZINC001041999003 782575492 /nfs/dbraw/zinc/57/54/92/782575492.db2.gz CYOMLLRCHJJAPI-XJKSGUPXSA-N 1 1 341.415 0.701 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cncs3)CC2)C1 ZINC001046037536 766733500 /nfs/dbraw/zinc/73/35/00/766733500.db2.gz RRBAPYDAUWEPBE-HNNXBMFYSA-N 1 1 332.473 0.927 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046037635 766735714 /nfs/dbraw/zinc/73/57/14/766735714.db2.gz VLYJWIBPWREHKT-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046039512 766742017 /nfs/dbraw/zinc/74/20/17/766742017.db2.gz ZQGRDQMMPXHVHT-LPHOPBHVSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc4ncnn43)CC2)C1 ZINC001046041347 766750707 /nfs/dbraw/zinc/75/07/07/766750707.db2.gz HHODAPINJSMBRW-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3Cl)CC2)C1 ZINC001046041583 766752483 /nfs/dbraw/zinc/75/24/83/766752483.db2.gz SIOYRYIBZBBONN-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn4cccnc4n3)CC2)C1 ZINC001046043118 766758808 /nfs/dbraw/zinc/75/88/08/766758808.db2.gz WCAFOUALXSFJIG-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001046043801 766763278 /nfs/dbraw/zinc/76/32/78/766763278.db2.gz DMXPJMCZLVJDJZ-AWEZNQCLSA-N 1 1 344.415 0.234 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)C1 ZINC001046043899 766763981 /nfs/dbraw/zinc/76/39/81/766763981.db2.gz MQEHCHPFGQPLFT-CEXWTWQISA-N 1 1 345.487 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3nc(C)cc3C)CC2)C1 ZINC001046044023 766764793 /nfs/dbraw/zinc/76/47/93/766764793.db2.gz HYBKZGNQFMSGID-KRWDZBQOSA-N 1 1 329.448 0.352 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC001046044304 766766405 /nfs/dbraw/zinc/76/64/05/766766405.db2.gz SMRUYQVVRVHQMF-QGZVFWFLSA-N 1 1 327.432 0.261 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)n(C)n3)CC2)C1 ZINC001046044653 766767779 /nfs/dbraw/zinc/76/77/79/766767779.db2.gz NRYLGPAUCFEVQU-OAHLLOKOSA-N 1 1 345.447 0.284 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc4nccn43)CC2)C1 ZINC001046045504 766771641 /nfs/dbraw/zinc/77/16/41/766771641.db2.gz YMIFXCFIWFWJJW-MRXNPFEDSA-N 1 1 337.427 0.800 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106132835 766776236 /nfs/dbraw/zinc/77/62/36/766776236.db2.gz ASTSJISMJWAZSN-ABAIWWIYSA-N 1 1 328.376 0.444 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001046047548 766779465 /nfs/dbraw/zinc/77/94/65/766779465.db2.gz SYTREVSNBCUSIH-DLBZAZTESA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1 ZINC001046048235 766780184 /nfs/dbraw/zinc/78/01/84/766780184.db2.gz SXFMLVWYSNYDQN-BRWVUGGUSA-N 1 1 341.459 0.375 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001046048669 766781222 /nfs/dbraw/zinc/78/12/22/766781222.db2.gz BVVUMTXBYJBTHS-CABCVRRESA-N 1 1 336.480 0.681 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001046048959 766781878 /nfs/dbraw/zinc/78/18/78/766781878.db2.gz GYLFJZDGVLSJPF-CABCVRRESA-N 1 1 336.480 0.681 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001046049736 766784335 /nfs/dbraw/zinc/78/43/35/766784335.db2.gz WUEFVWZVHZMDKU-UONOGXRCSA-N 1 1 340.855 0.094 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001046049736 766784348 /nfs/dbraw/zinc/78/43/48/766784348.db2.gz WUEFVWZVHZMDKU-UONOGXRCSA-N 1 1 340.855 0.094 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC001046050257 766786535 /nfs/dbraw/zinc/78/65/35/766786535.db2.gz INFYZDBKYHIDBU-OAHLLOKOSA-N 1 1 345.447 0.284 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2COC3(C[NH+](CC[C@@H]4CCOC4)C3)C2)c1 ZINC001053766828 766786746 /nfs/dbraw/zinc/78/67/46/766786746.db2.gz WTBZGVOPEBJBCY-HIFRSBDPSA-N 1 1 344.415 0.886 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046050887 766789175 /nfs/dbraw/zinc/78/91/75/766789175.db2.gz SJIKGYGTOGTABK-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046050889 766789229 /nfs/dbraw/zinc/78/92/29/766789229.db2.gz SJIKGYGTOGTABK-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)[nH]1 ZINC001053773124 766804316 /nfs/dbraw/zinc/80/43/16/766804316.db2.gz DKFKAQTUFSCCMM-TZMCWYRMSA-N 1 1 330.388 0.496 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)cc3C)CC2)C1 ZINC001046061166 766829083 /nfs/dbraw/zinc/82/90/83/766829083.db2.gz JRXSPYRZSMLBIO-INIZCTEOSA-N 1 1 342.443 0.951 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCN([C@H]2CC[N@@H+](CC(=O)NC)C2)CC1 ZINC001046061401 766830256 /nfs/dbraw/zinc/83/02/56/766830256.db2.gz LGPVTSSPOGMMGS-YJBOKZPZSA-N 1 1 336.480 0.553 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC001046061830 766831196 /nfs/dbraw/zinc/83/11/96/766831196.db2.gz PNWFLANBCVQADY-OAHLLOKOSA-N 1 1 330.432 0.403 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCCS2(=O)=O)CC1 ZINC001016745486 766836099 /nfs/dbraw/zinc/83/60/99/766836099.db2.gz OLVFLBZNPGEMRN-LSDHHAIUSA-N 1 1 338.473 0.948 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001046065742 766851765 /nfs/dbraw/zinc/85/17/65/766851765.db2.gz DDUSPOJMROYTLO-HNNXBMFYSA-N 1 1 337.855 0.923 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001046065742 766851778 /nfs/dbraw/zinc/85/17/78/766851778.db2.gz DDUSPOJMROYTLO-HNNXBMFYSA-N 1 1 337.855 0.923 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC001046068042 766861218 /nfs/dbraw/zinc/86/12/18/766861218.db2.gz BJKHMBIKKJNTBI-AWEZNQCLSA-N 1 1 331.420 0.503 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@H]3CC[N@H+](CC(C)C)C3)CC2)nn1 ZINC001046068108 766861353 /nfs/dbraw/zinc/86/13/53/766861353.db2.gz DCDIXTHTOSJDQF-INIZCTEOSA-N 1 1 346.479 0.952 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CCC)c3)CC2)C1 ZINC001046070132 766871275 /nfs/dbraw/zinc/87/12/75/766871275.db2.gz LTMCWWRQNJBXBO-KRWDZBQOSA-N 1 1 329.448 0.758 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCN([C@@H]3CC[N@@H+](CC=C)C3)CC2)nn1 ZINC001046070646 766874910 /nfs/dbraw/zinc/87/49/10/766874910.db2.gz YKBFQUQPYCPLCV-MRXNPFEDSA-N 1 1 344.463 0.872 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)c[nH]c3=O)CC2)C1 ZINC001046072572 766882363 /nfs/dbraw/zinc/88/23/63/766882363.db2.gz IMTFZMMSWYIQRK-MRXNPFEDSA-N 1 1 342.443 0.815 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)nn3C)CC2)C1 ZINC001046073443 766885445 /nfs/dbraw/zinc/88/54/45/766885445.db2.gz FPHNSVYNRPOPPH-INIZCTEOSA-N 1 1 329.448 0.448 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)CO2 ZINC001053805091 766894114 /nfs/dbraw/zinc/89/41/14/766894114.db2.gz LKCZQOUBNONSBU-QLFBSQMISA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CC)nn3)CC2)C1 ZINC001046075967 766901562 /nfs/dbraw/zinc/90/15/62/766901562.db2.gz YWBHZROGJWYFDY-OAHLLOKOSA-N 1 1 332.452 0.706 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC001046077288 766906190 /nfs/dbraw/zinc/90/61/90/766906190.db2.gz VCLMIBVQYGRQQH-WBVHZDCISA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC001046077350 766907760 /nfs/dbraw/zinc/90/77/60/766907760.db2.gz MUMDLLQRUGIBAF-JKSUJKDBSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077350 766907767 /nfs/dbraw/zinc/90/77/67/766907767.db2.gz MUMDLLQRUGIBAF-JKSUJKDBSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077350 766907773 /nfs/dbraw/zinc/90/77/73/766907773.db2.gz MUMDLLQRUGIBAF-JKSUJKDBSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC001046081638 766920249 /nfs/dbraw/zinc/92/02/49/766920249.db2.gz NNSQQYSLDGIXBW-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3c(C)csc3=O)CC2)C1 ZINC001046082446 766921986 /nfs/dbraw/zinc/92/19/86/766921986.db2.gz RVKOPXFHUQGWIM-OAHLLOKOSA-N 1 1 348.472 0.070 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccnc3C)CC2)C1 ZINC001046084160 766924433 /nfs/dbraw/zinc/92/44/33/766924433.db2.gz KYFBAVWAGIUGCD-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)n(C)n3)CC2)C1 ZINC001046085725 766927435 /nfs/dbraw/zinc/92/74/35/766927435.db2.gz CTEOQXQJWLIMPK-INIZCTEOSA-N 1 1 329.448 0.448 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCN([C@@H]3CC[N@@H+](CCC)C3)CC2)CC1 ZINC001046086496 766928580 /nfs/dbraw/zinc/92/85/80/766928580.db2.gz OTUTXNPNLLTYKY-LJQANCHMSA-N 1 1 346.519 0.960 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCN([C@@H]3CC[N@H+](CCC)C3)CC2)CC1 ZINC001046086496 766928581 /nfs/dbraw/zinc/92/85/81/766928581.db2.gz OTUTXNPNLLTYKY-LJQANCHMSA-N 1 1 346.519 0.960 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)N3CCCCC3=O)CC2)C1 ZINC001046086432 766928656 /nfs/dbraw/zinc/92/86/56/766928656.db2.gz NVMSRFQCFDVYJF-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3nonc3C)CC2)C1 ZINC001046090362 766932496 /nfs/dbraw/zinc/93/24/96/766932496.db2.gz UKIJMGXQTBIRLA-CYBMUJFWSA-N 1 1 339.827 0.963 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nonc3C)CC2)C1 ZINC001046090362 766932498 /nfs/dbraw/zinc/93/24/98/766932498.db2.gz UKIJMGXQTBIRLA-CYBMUJFWSA-N 1 1 339.827 0.963 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(CCC(N)=O)cc2)[C@@H](O)C1 ZINC001083764452 766932883 /nfs/dbraw/zinc/93/28/83/766932883.db2.gz IDRNCHYRUTYRFD-CVEARBPZSA-N 1 1 331.416 0.456 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)C3CCOCC3)C2)C1=O ZINC001046097832 766934527 /nfs/dbraw/zinc/93/45/27/766934527.db2.gz IRPNELYICSYJOI-MAUKXSAKSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)C3=COCCO3)C2)C1=O ZINC001046113168 766941459 /nfs/dbraw/zinc/94/14/59/766941459.db2.gz DJGLAIIXNZBIOU-CXAGYDPISA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)C3=COCCO3)C2)C1=O ZINC001046113168 766941460 /nfs/dbraw/zinc/94/14/60/766941460.db2.gz DJGLAIIXNZBIOU-CXAGYDPISA-N 1 1 335.404 0.242 20 30 ECEDMO N#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CO2 ZINC001053827396 766956178 /nfs/dbraw/zinc/95/61/78/766956178.db2.gz YJTYOZQNXJBTSF-GDBMZVCRSA-N 1 1 348.447 0.113 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@H](OC)C1 ZINC001212270236 766978787 /nfs/dbraw/zinc/97/87/87/766978787.db2.gz JWDKGMQOYYQYPQ-MGPQQGTHSA-N 1 1 347.481 0.096 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cncc(F)c2)C1 ZINC001031740525 766984666 /nfs/dbraw/zinc/98/46/66/766984666.db2.gz FEPXZHSWNFDZQI-KRWDZBQOSA-N 1 1 330.407 0.866 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cncc(F)c2)C1 ZINC001031740525 766984673 /nfs/dbraw/zinc/98/46/73/766984673.db2.gz FEPXZHSWNFDZQI-KRWDZBQOSA-N 1 1 330.407 0.866 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2O)c1 ZINC001083765037 766999778 /nfs/dbraw/zinc/99/97/78/766999778.db2.gz KLBCHGOGFDVJHY-OIISXLGYSA-N 1 1 329.400 0.264 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnsn3)C2)C1=O ZINC001046170008 767009743 /nfs/dbraw/zinc/00/97/43/767009743.db2.gz XSUGICABYSKKFI-DOMZBBRYSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cnsn3)C2)C1=O ZINC001046170008 767009754 /nfs/dbraw/zinc/00/97/54/767009754.db2.gz XSUGICABYSKKFI-DOMZBBRYSA-N 1 1 335.433 0.519 20 30 ECEDMO C#CC[NH+]1CCC2(CCN(C(=O)[C@]3(C)CCCS3(=O)=O)C2)CC1 ZINC001040881526 767035250 /nfs/dbraw/zinc/03/52/50/767035250.db2.gz NYUXAWLGYIFFAH-INIZCTEOSA-N 1 1 338.473 0.901 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC4CC4)[C@H]3C2)[nH]1 ZINC001042015426 782602004 /nfs/dbraw/zinc/60/20/04/782602004.db2.gz HNPWSCOZNOGQFU-LRDDRELGSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC4CC4)[C@H]3C2)[nH]1 ZINC001042015426 782602009 /nfs/dbraw/zinc/60/20/09/782602009.db2.gz HNPWSCOZNOGQFU-LRDDRELGSA-N 1 1 341.415 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001046222511 767090568 /nfs/dbraw/zinc/09/05/68/767090568.db2.gz VRDJUBQBPYNCGX-KBXCAEBGSA-N 1 1 344.415 0.768 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000068445283 767103105 /nfs/dbraw/zinc/10/31/05/767103105.db2.gz DWGBGRJENCCUOE-UHFFFAOYSA-N 1 1 344.371 0.492 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2conc2C)C1 ZINC000938755975 767106819 /nfs/dbraw/zinc/10/68/19/767106819.db2.gz DSXBBNAVONGKKN-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2conc2C)C1 ZINC000938755975 767106820 /nfs/dbraw/zinc/10/68/20/767106820.db2.gz DSXBBNAVONGKKN-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC000938756547 767107050 /nfs/dbraw/zinc/10/70/50/767107050.db2.gz RKFZXHFCWVGAQN-CABCVRRESA-N 1 1 347.415 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC000938756547 767107051 /nfs/dbraw/zinc/10/70/51/767107051.db2.gz RKFZXHFCWVGAQN-CABCVRRESA-N 1 1 347.415 0.032 20 30 ECEDMO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001046248348 767107325 /nfs/dbraw/zinc/10/73/25/767107325.db2.gz OFHXOPKDKVVUJI-WBVHZDCISA-N 1 1 342.403 0.338 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2ncc(C#N)cc2F)CC[N@H+]1C ZINC001106141322 767114951 /nfs/dbraw/zinc/11/49/51/767114951.db2.gz BGFMTIJXFRSCCN-KCQAQPDRSA-N 1 1 349.410 0.712 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000938828409 767127040 /nfs/dbraw/zinc/12/70/40/767127040.db2.gz OBQLDWUURHDYRN-AWEZNQCLSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046288952 767129665 /nfs/dbraw/zinc/12/96/65/767129665.db2.gz QSDNOFDNYBIWFR-MAUKXSAKSA-N 1 1 345.374 0.866 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046288952 767129666 /nfs/dbraw/zinc/12/96/66/767129666.db2.gz QSDNOFDNYBIWFR-MAUKXSAKSA-N 1 1 345.374 0.866 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046289354 767129848 /nfs/dbraw/zinc/12/98/48/767129848.db2.gz UQWGLELLCSSWGW-WMLDXEAASA-N 1 1 328.372 0.747 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001089735526 767136996 /nfs/dbraw/zinc/13/69/96/767136996.db2.gz MXOVWGNNTVHCDP-KGLIPLIRSA-N 1 1 341.477 0.308 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001046307011 767138377 /nfs/dbraw/zinc/13/83/77/767138377.db2.gz NYCOWYSQZQLMKF-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001046309064 767140001 /nfs/dbraw/zinc/14/00/01/767140001.db2.gz KMFXMNMPWIZYNP-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001046309064 767140003 /nfs/dbraw/zinc/14/00/03/767140003.db2.gz KMFXMNMPWIZYNP-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001046311995 767141046 /nfs/dbraw/zinc/14/10/46/767141046.db2.gz ODLHXKARKNIWJA-KBPBESRZSA-N 1 1 335.448 0.230 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001046329911 767152411 /nfs/dbraw/zinc/15/24/11/767152411.db2.gz ZSPNQHPLDYIDJJ-IMJJTQAJSA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001046329911 767152412 /nfs/dbraw/zinc/15/24/12/767152412.db2.gz ZSPNQHPLDYIDJJ-IMJJTQAJSA-N 1 1 343.431 0.899 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001046329747 767152440 /nfs/dbraw/zinc/15/24/40/767152440.db2.gz VNWZCJKWYZZZKZ-CFVMTHIKSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001046329747 767152442 /nfs/dbraw/zinc/15/24/42/767152442.db2.gz VNWZCJKWYZZZKZ-CFVMTHIKSA-N 1 1 329.404 0.591 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001046363271 767170746 /nfs/dbraw/zinc/17/07/46/767170746.db2.gz ZGLNONBEHMEUHY-GOSISDBHSA-N 1 1 329.400 0.768 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)NC1=O ZINC001038590725 767174948 /nfs/dbraw/zinc/17/49/48/767174948.db2.gz BRGFLPFBAWFLHA-CABCVRRESA-N 1 1 327.388 0.272 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)NC1=O ZINC001038590725 767174950 /nfs/dbraw/zinc/17/49/50/767174950.db2.gz BRGFLPFBAWFLHA-CABCVRRESA-N 1 1 327.388 0.272 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)NC1=O ZINC001038590727 767176649 /nfs/dbraw/zinc/17/66/49/767176649.db2.gz BRGFLPFBAWFLHA-HUUCEWRRSA-N 1 1 327.388 0.272 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)NC1=O ZINC001038590727 767176651 /nfs/dbraw/zinc/17/66/51/767176651.db2.gz BRGFLPFBAWFLHA-HUUCEWRRSA-N 1 1 327.388 0.272 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C#N)[nH]1 ZINC001089797248 767221759 /nfs/dbraw/zinc/22/17/59/767221759.db2.gz LDHKTALHLUCQQN-DCDXPUDHSA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cccc(C)c2=O)C1 ZINC001089807343 767234578 /nfs/dbraw/zinc/23/45/78/767234578.db2.gz ZDPVQEBEQGVLAQ-XSLAGTTESA-N 1 1 339.439 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCCCCC)C1 ZINC001046510551 767269556 /nfs/dbraw/zinc/26/95/56/767269556.db2.gz LFGIERKGTCMWGE-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCCCCC)C1 ZINC001046510551 767269557 /nfs/dbraw/zinc/26/95/57/767269557.db2.gz LFGIERKGTCMWGE-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001046531505 767282798 /nfs/dbraw/zinc/28/27/98/767282798.db2.gz PWHAEINBACMMKQ-KXBFYZLASA-N 1 1 339.395 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001046531505 767282803 /nfs/dbraw/zinc/28/28/03/767282803.db2.gz PWHAEINBACMMKQ-KXBFYZLASA-N 1 1 339.395 0.667 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ncnn2)C1 ZINC001089817560 767290367 /nfs/dbraw/zinc/29/03/67/767290367.db2.gz SOVQVSMIBGHTEJ-VGWMRTNUSA-N 1 1 330.436 0.808 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001046542855 767293596 /nfs/dbraw/zinc/29/35/96/767293596.db2.gz LHGIKXGHPNLJPD-QFBILLFUSA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001046542855 767293597 /nfs/dbraw/zinc/29/35/97/767293597.db2.gz LHGIKXGHPNLJPD-QFBILLFUSA-N 1 1 340.427 0.642 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089819845 767309702 /nfs/dbraw/zinc/30/97/02/767309702.db2.gz JAHQFSZRZMAKNY-JONQDZQNSA-N 1 1 333.432 0.200 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001016926638 767324963 /nfs/dbraw/zinc/32/49/63/767324963.db2.gz PJCMUEDBUHJEDP-XJKSGUPXSA-N 1 1 327.432 0.904 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001016926638 767324967 /nfs/dbraw/zinc/32/49/67/767324967.db2.gz PJCMUEDBUHJEDP-XJKSGUPXSA-N 1 1 327.432 0.904 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001089823254 767339556 /nfs/dbraw/zinc/33/95/56/767339556.db2.gz DOVOTWRSLVBSPS-TUUVXOQKSA-N 1 1 326.400 0.988 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046589836 767341294 /nfs/dbraw/zinc/34/12/94/767341294.db2.gz YIGBPVZPDLCQIX-RHSMWYFYSA-N 1 1 327.388 0.320 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCN(C)C(=O)C1 ZINC001089825335 767348003 /nfs/dbraw/zinc/34/80/03/767348003.db2.gz BJYLUZPNOAUACV-NXOAAHMSSA-N 1 1 346.475 0.115 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001046606937 767357813 /nfs/dbraw/zinc/35/78/13/767357813.db2.gz LPGAZIWBBSAMDI-GOSISDBHSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)c1 ZINC001046606937 767357820 /nfs/dbraw/zinc/35/78/20/767357820.db2.gz LPGAZIWBBSAMDI-GOSISDBHSA-N 1 1 326.400 0.489 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046628131 767393952 /nfs/dbraw/zinc/39/39/52/767393952.db2.gz KEHUOZJQUHKUIE-VKJFTORMSA-N 1 1 326.400 0.760 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001078288889 782620692 /nfs/dbraw/zinc/62/06/92/782620692.db2.gz USNXTIBGOAPVGU-ZFWWWQNUSA-N 1 1 328.416 0.639 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001106157978 767423192 /nfs/dbraw/zinc/42/31/92/767423192.db2.gz MYISKEJFOHULBJ-CHWSQXEVSA-N 1 1 332.408 0.112 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001106158459 767424323 /nfs/dbraw/zinc/42/43/23/767424323.db2.gz TZMPJSCZULQINC-HUUCEWRRSA-N 1 1 331.420 0.139 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(OC)n(C)n1 ZINC001089837096 767433894 /nfs/dbraw/zinc/43/38/94/767433894.db2.gz YJJHNMPMQWZWOA-NHIYQJMISA-N 1 1 328.416 0.844 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001106165078 767462255 /nfs/dbraw/zinc/46/22/55/767462255.db2.gz DCWBQDLNBSROAD-UONOGXRCSA-N 1 1 332.408 0.030 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046685156 767480379 /nfs/dbraw/zinc/48/03/79/767480379.db2.gz PMSSIACRUJELOT-LSDHHAIUSA-N 1 1 335.448 0.067 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001046692776 767495290 /nfs/dbraw/zinc/49/52/90/767495290.db2.gz ZEZRHRJQKCIZGU-ZIAGYGMSSA-N 1 1 335.448 0.230 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CC[C@H](C)C1)CO2 ZINC001053976965 767510420 /nfs/dbraw/zinc/51/04/20/767510420.db2.gz KZFQWVNPYSXMNQ-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C(=O)NC)n1)CO2 ZINC001053996726 767555646 /nfs/dbraw/zinc/55/56/46/767555646.db2.gz KEJORCHHSOYVQL-CYBMUJFWSA-N 1 1 344.415 0.590 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001046739355 767567946 /nfs/dbraw/zinc/56/79/46/767567946.db2.gz MGNNVCQJRWOSEQ-PBHICJAKSA-N 1 1 331.420 0.532 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1nccnc1C(N)=O)CO2 ZINC001054002879 767568352 /nfs/dbraw/zinc/56/83/52/767568352.db2.gz KAIADINOZRXTTI-LBPRGKRZSA-N 1 1 345.403 0.115 20 30 ECEDMO Cn1ncc(C[N@H+](C)C[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001017087970 767569021 /nfs/dbraw/zinc/56/90/21/767569021.db2.gz OKAXHFPCSPPZHD-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001017087970 767569027 /nfs/dbraw/zinc/56/90/27/767569027.db2.gz OKAXHFPCSPPZHD-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)CO2 ZINC001054004945 767573610 /nfs/dbraw/zinc/57/36/10/767573610.db2.gz AWOWSEFKTQGLOI-CQSZACIVSA-N 1 1 346.431 0.877 20 30 ECEDMO Cn1ncc(C[N@H+](C)C[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001017105754 767593547 /nfs/dbraw/zinc/59/35/47/767593547.db2.gz BNDOFDAYZLHDBL-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001017105754 767593551 /nfs/dbraw/zinc/59/35/51/767593551.db2.gz BNDOFDAYZLHDBL-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@H]1CCNC1=O ZINC001017107425 767596185 /nfs/dbraw/zinc/59/61/85/767596185.db2.gz RWKWIBHAMVBISL-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc3nsnc32)C1 ZINC001078299841 782637573 /nfs/dbraw/zinc/63/75/73/782637573.db2.gz KZGTVCRZVSOESW-ZIAGYGMSSA-N 1 1 330.413 0.418 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc3nsnc32)C1 ZINC001078299841 782637581 /nfs/dbraw/zinc/63/75/81/782637581.db2.gz KZGTVCRZVSOESW-ZIAGYGMSSA-N 1 1 330.413 0.418 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@@H]1CCCNC1=O ZINC001017110176 767603984 /nfs/dbraw/zinc/60/39/84/767603984.db2.gz ZBFSRZRGUHUZGF-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)N1CCCCC1=O)CO2 ZINC001054017041 767608316 /nfs/dbraw/zinc/60/83/16/767608316.db2.gz PZIYIFOOOGNLJZ-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3ncc[nH]3)C2)C1=O ZINC001017127974 767629425 /nfs/dbraw/zinc/62/94/25/767629425.db2.gz YNSNEYZAZPQUBN-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001060476335 767685232 /nfs/dbraw/zinc/68/52/32/767685232.db2.gz CRVKGZHKBDYWEJ-CKTDYHTKSA-N 1 1 326.404 0.097 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001054102546 767691330 /nfs/dbraw/zinc/69/13/30/767691330.db2.gz OHMYCEFLALYYJO-MLGOLLRUSA-N 1 1 332.408 0.083 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001054102546 767691332 /nfs/dbraw/zinc/69/13/32/767691332.db2.gz OHMYCEFLALYYJO-MLGOLLRUSA-N 1 1 332.408 0.083 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001054134072 767729937 /nfs/dbraw/zinc/72/99/37/767729937.db2.gz SJTWGZKGYUZHCG-VKJFTORMSA-N 1 1 335.448 0.767 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1nnn(C(C)(C)C)n1)C2 ZINC001054137533 767733121 /nfs/dbraw/zinc/73/31/21/767733121.db2.gz HTZXOLGKLGDHKE-GOSISDBHSA-N 1 1 344.463 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(=O)c(OC)c[nH]1)C2 ZINC001054164538 767762949 /nfs/dbraw/zinc/76/29/49/767762949.db2.gz LUMKZDKUQGIKTJ-GOSISDBHSA-N 1 1 329.400 0.945 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001054166939 767765574 /nfs/dbraw/zinc/76/55/74/767765574.db2.gz NAXBWCKMCMCRFB-QGZVFWFLSA-N 1 1 333.436 0.472 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001054186765 767785684 /nfs/dbraw/zinc/78/56/84/767785684.db2.gz DERIUJKFIXLJIE-WFASDCNBSA-N 1 1 326.828 0.735 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C(N)=O)C3)s1 ZINC001054188961 767789870 /nfs/dbraw/zinc/78/98/70/767789870.db2.gz XSVQYHFWLJXBDP-MRXNPFEDSA-N 1 1 332.429 0.920 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001042042287 782659257 /nfs/dbraw/zinc/65/92/57/782659257.db2.gz DMQXFKBDJULICL-SJORKVTESA-N 1 1 329.444 0.945 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001054225474 767831810 /nfs/dbraw/zinc/83/18/10/767831810.db2.gz XVHNWCGUCYXMKK-SFHVURJKSA-N 1 1 346.431 0.266 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)NC(C)(C)C1=O)C2 ZINC001054237005 767846271 /nfs/dbraw/zinc/84/62/71/767846271.db2.gz PLKALTZIIXDUGQ-GOSISDBHSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001054237310 767847253 /nfs/dbraw/zinc/84/72/53/767847253.db2.gz WWKCGNWSWWIMDC-SFHVURJKSA-N 1 1 346.431 0.218 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993206063 768479093 /nfs/dbraw/zinc/47/90/93/768479093.db2.gz STWIHFCLHYMECO-ABAIWWIYSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993206063 768479099 /nfs/dbraw/zinc/47/90/99/768479099.db2.gz STWIHFCLHYMECO-ABAIWWIYSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993207533 768482545 /nfs/dbraw/zinc/48/25/45/768482545.db2.gz MXZVGONGTQKPMW-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993207533 768482549 /nfs/dbraw/zinc/48/25/49/768482549.db2.gz MXZVGONGTQKPMW-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1C ZINC001106693032 768605859 /nfs/dbraw/zinc/60/58/59/768605859.db2.gz MFLAKDOGCFUXSO-TZMCWYRMSA-N 1 1 343.431 0.334 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001018054690 768666556 /nfs/dbraw/zinc/66/65/56/768666556.db2.gz LJNOSEISWCJZJA-GIIQZNHOSA-N 1 1 332.404 0.226 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055223951 768681735 /nfs/dbraw/zinc/68/17/35/768681735.db2.gz BWMIIWBYGPFTFD-TWMKSMIVSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055248480 768705940 /nfs/dbraw/zinc/70/59/40/768705940.db2.gz NVOZVXNAWWKEPV-HRCADAONSA-N 1 1 335.448 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)COCC=C)C[C@@H]2C1 ZINC001055250960 768709377 /nfs/dbraw/zinc/70/93/77/768709377.db2.gz QIRCKWQKLCJTCW-BBWFWOEESA-N 1 1 345.443 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)COCC=C)C[C@@H]2C1 ZINC001055250960 768709380 /nfs/dbraw/zinc/70/93/80/768709380.db2.gz QIRCKWQKLCJTCW-BBWFWOEESA-N 1 1 345.443 0.203 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nonc3C)C2)nn1 ZINC001098789845 768723791 /nfs/dbraw/zinc/72/37/91/768723791.db2.gz KBIIRKFBJLLYKB-ZDUSSCGKSA-N 1 1 331.380 0.722 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)C1 ZINC001055296022 768750422 /nfs/dbraw/zinc/75/04/22/768750422.db2.gz ASMGBTYVQHLNLK-WCVJEAGWSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)C1 ZINC001055296022 768750426 /nfs/dbraw/zinc/75/04/26/768750426.db2.gz ASMGBTYVQHLNLK-WCVJEAGWSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)C1 ZINC001055296211 768750470 /nfs/dbraw/zinc/75/04/70/768750470.db2.gz FOAUMSQMPMOJOM-LVQVYYBASA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)C1 ZINC001055296211 768750475 /nfs/dbraw/zinc/75/04/75/768750475.db2.gz FOAUMSQMPMOJOM-LVQVYYBASA-N 1 1 341.415 0.510 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001018121998 768760094 /nfs/dbraw/zinc/76/00/94/768760094.db2.gz KYSMAAQNAQESCW-HRCADAONSA-N 1 1 343.431 0.627 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001018121998 768760099 /nfs/dbraw/zinc/76/00/99/768760099.db2.gz KYSMAAQNAQESCW-HRCADAONSA-N 1 1 343.431 0.627 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055338386 768795199 /nfs/dbraw/zinc/79/51/99/768795199.db2.gz RYMAFTRAWXGBSB-VVLHAWIVSA-N 1 1 347.459 0.283 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001055338657 768795887 /nfs/dbraw/zinc/79/58/87/768795887.db2.gz YBNIMQYGRONUFN-IYBDPMFKSA-N 1 1 335.448 0.285 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001055339250 768796069 /nfs/dbraw/zinc/79/60/69/768796069.db2.gz ANTNRUIAJNDIRF-NXOAAHMSSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993388506 768940519 /nfs/dbraw/zinc/94/05/19/768940519.db2.gz CPGLYQCSTPXMTD-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](CCNC(=O)c2ccoc2)CC1 ZINC001055515804 768986244 /nfs/dbraw/zinc/98/62/44/768986244.db2.gz NFTVPBVEXRZKFO-GOSISDBHSA-N 1 1 349.431 0.917 20 30 ECEDMO CCN(CCNc1ccc(C#N)cn1)C(=O)CC[NH+]1CCOCC1 ZINC001106798268 769014060 /nfs/dbraw/zinc/01/40/60/769014060.db2.gz WTXZLFLTXUJTRV-UHFFFAOYSA-N 1 1 331.420 0.936 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001031276002 769038275 /nfs/dbraw/zinc/03/82/75/769038275.db2.gz GCPLXZZOCZSHFI-UHFFFAOYSA-N 1 1 329.400 0.934 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001042075205 782716393 /nfs/dbraw/zinc/71/63/93/782716393.db2.gz AWFZTZOFHCKYON-CABCVRRESA-N 1 1 344.463 0.917 20 30 ECEDMO C#CCCCCC(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055564186 769125647 /nfs/dbraw/zinc/12/56/47/769125647.db2.gz YKZAMHUXLZMVIA-UHFFFAOYSA-N 1 1 346.435 0.309 20 30 ECEDMO Cc1ccnc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001055569079 769139997 /nfs/dbraw/zinc/13/99/97/769139997.db2.gz PBZDOZVYDOCWQN-LBPRGKRZSA-N 1 1 344.419 0.255 20 30 ECEDMO CC(C)C#CC(=O)NCCN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055573572 769154284 /nfs/dbraw/zinc/15/42/84/769154284.db2.gz ZIUDINNPPYMPNJ-UHFFFAOYSA-N 1 1 336.480 0.294 20 30 ECEDMO Cc1cc(C(=O)NC2CC[NH+](CCNC(=O)C#CC3CC3)CC2)no1 ZINC001055573343 769154397 /nfs/dbraw/zinc/15/43/97/769154397.db2.gz AUFONGYXKXCZCV-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055573807 769155631 /nfs/dbraw/zinc/15/56/31/769155631.db2.gz IWBLOYKEVSGKPJ-KRWDZBQOSA-N 1 1 346.475 0.191 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055573807 769155638 /nfs/dbraw/zinc/15/56/38/769155638.db2.gz IWBLOYKEVSGKPJ-KRWDZBQOSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)CSC)C2)CC1 ZINC001018353267 769167318 /nfs/dbraw/zinc/16/73/18/769167318.db2.gz CGXVMGSLULQSMU-HNNXBMFYSA-N 1 1 337.489 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000993518685 769215851 /nfs/dbraw/zinc/21/58/51/769215851.db2.gz INZKNGSYWDFTPG-JQWIXIFHSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C ZINC000993518685 769215858 /nfs/dbraw/zinc/21/58/58/769215858.db2.gz INZKNGSYWDFTPG-JQWIXIFHSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H]1C ZINC000993536694 769240653 /nfs/dbraw/zinc/24/06/53/769240653.db2.gz WZXMKZRHBSNPIJ-ZIAGYGMSSA-N 1 1 342.403 0.926 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622765 769281835 /nfs/dbraw/zinc/28/18/35/769281835.db2.gz YKMSKOZNDMGVQR-QWHCGFSZSA-N 1 1 349.435 0.838 20 30 ECEDMO C[NH+](C)CCC(=O)NCCN1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055633123 769309084 /nfs/dbraw/zinc/30/90/84/769309084.db2.gz BQGDTTOBIQXGQO-UHFFFAOYSA-N 1 1 334.464 0.048 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2ccnnc2)CC1 ZINC001055654436 769351416 /nfs/dbraw/zinc/35/14/16/769351416.db2.gz XFXZHZWYMDFYPG-UHFFFAOYSA-N 1 1 343.431 0.591 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC000993589663 769378782 /nfs/dbraw/zinc/37/87/82/769378782.db2.gz LLMDDJVBRLPEIA-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC000993624983 769436871 /nfs/dbraw/zinc/43/68/71/769436871.db2.gz RUAFUGGABFIDHI-UKRRQHHQSA-N 1 1 339.403 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CCC)C1 ZINC001055715664 769497948 /nfs/dbraw/zinc/49/79/48/769497948.db2.gz IFKMBTYYZWOAGD-MAUKXSAKSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CCC)C1 ZINC001055715664 769497956 /nfs/dbraw/zinc/49/79/56/769497956.db2.gz IFKMBTYYZWOAGD-MAUKXSAKSA-N 1 1 335.448 0.354 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@@H]1C ZINC000993703748 769538192 /nfs/dbraw/zinc/53/81/92/769538192.db2.gz NXEGPRAIGVRHAL-JSGCOSHPSA-N 1 1 326.404 0.969 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001078359919 782771483 /nfs/dbraw/zinc/77/14/83/782771483.db2.gz HSQXLERIDUGKIZ-GXTWGEPZSA-N 1 1 346.435 0.559 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1C ZINC001078359778 782771833 /nfs/dbraw/zinc/77/18/33/782771833.db2.gz DRHUYTXDWLQMQZ-STQMWFEESA-N 1 1 334.424 0.244 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001055818276 769835314 /nfs/dbraw/zinc/83/53/14/769835314.db2.gz FWHLNTPJMJCAHM-CYBMUJFWSA-N 1 1 328.420 0.511 20 30 ECEDMO C[C@H](C[C@H](C)Nc1cncc(C#N)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001089356224 769842330 /nfs/dbraw/zinc/84/23/30/769842330.db2.gz VYFHLRAAESWMOU-UONOGXRCSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001055831793 769892741 /nfs/dbraw/zinc/89/27/41/769892741.db2.gz VHZFAMDMAVXJEF-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@](CO)(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001055837784 769920016 /nfs/dbraw/zinc/92/00/16/769920016.db2.gz OHEDAFDESFWKAB-KXBFYZLASA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC000993990555 769972691 /nfs/dbraw/zinc/97/26/91/769972691.db2.gz RPBRZBGOUIBZGV-CABCVRRESA-N 1 1 346.435 0.171 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]21 ZINC001042115770 782797279 /nfs/dbraw/zinc/79/72/79/782797279.db2.gz BPBDTGIBZBQWGK-GDBMZVCRSA-N 1 1 326.400 0.279 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3nncs3)C2)[nH]1 ZINC001078382801 782816733 /nfs/dbraw/zinc/81/67/33/782816733.db2.gz OIPXBUSZVGNUNS-LBPRGKRZSA-N 1 1 346.416 0.759 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCCO2)[nH]1 ZINC001078382898 782817409 /nfs/dbraw/zinc/81/74/09/782817409.db2.gz SMZUXRKERMDDAT-ZDUSSCGKSA-N 1 1 343.391 0.334 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001055934697 770277232 /nfs/dbraw/zinc/27/72/32/770277232.db2.gz HKCDTCPNZRPRCG-APWZRJJASA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C ZINC000994193636 770283239 /nfs/dbraw/zinc/28/32/39/770283239.db2.gz MAAMJKZXOHKNJS-BMFZPTHFSA-N 1 1 343.431 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C ZINC000994193636 770283246 /nfs/dbraw/zinc/28/32/46/770283246.db2.gz MAAMJKZXOHKNJS-BMFZPTHFSA-N 1 1 343.431 0.332 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001055952245 770339459 /nfs/dbraw/zinc/33/94/59/770339459.db2.gz FVUHBBIICAKJGA-QGZVFWFLSA-N 1 1 334.420 0.627 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001106859164 770345996 /nfs/dbraw/zinc/34/59/96/770345996.db2.gz OZHNASGKLNYHHR-GJZGRUSLSA-N 1 1 342.447 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)[C@H]2C)cn1 ZINC000994245784 770407921 /nfs/dbraw/zinc/40/79/21/770407921.db2.gz XYYVOWAFWLGGBL-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@H]2C)cn1 ZINC000994245784 770407924 /nfs/dbraw/zinc/40/79/24/770407924.db2.gz XYYVOWAFWLGGBL-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]21 ZINC001042140448 782841711 /nfs/dbraw/zinc/84/17/11/782841711.db2.gz AQEBWQBXPXMDMY-KBPBESRZSA-N 1 1 332.404 0.448 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]21 ZINC001042140458 782842290 /nfs/dbraw/zinc/84/22/90/782842290.db2.gz AQEBWQBXPXMDMY-UONOGXRCSA-N 1 1 332.404 0.448 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001056020070 770574177 /nfs/dbraw/zinc/57/41/77/770574177.db2.gz RYSCBIOZCKLHRJ-QFBILLFUSA-N 1 1 349.475 0.601 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC001056020738 770578571 /nfs/dbraw/zinc/57/85/71/770578571.db2.gz XFVRMROXXKMMCQ-AWEZNQCLSA-N 1 1 342.447 0.901 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001056031512 770615958 /nfs/dbraw/zinc/61/59/58/770615958.db2.gz AFDDFBTTWUBLJM-QGZVFWFLSA-N 1 1 341.452 0.001 20 30 ECEDMO N#Cc1cnccc1N1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001056052867 770686626 /nfs/dbraw/zinc/68/66/26/770686626.db2.gz VDYWVXBYYQPFRG-RDJZCZTQSA-N 1 1 341.415 0.465 20 30 ECEDMO N#Cc1cnccc1N1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001056052865 770686784 /nfs/dbraw/zinc/68/67/84/770686784.db2.gz VDYWVXBYYQPFRG-DOTOQJQBSA-N 1 1 341.415 0.465 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)C3)CC[N@H+]1C ZINC001019070385 770712405 /nfs/dbraw/zinc/71/24/05/770712405.db2.gz LCFQKBMBMOOVNG-GDBMZVCRSA-N 1 1 329.444 0.801 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)C3)C1 ZINC001019076765 770727124 /nfs/dbraw/zinc/72/71/24/770727124.db2.gz LUFJADCMWKGHFR-INIZCTEOSA-N 1 1 345.443 0.181 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)C3)C1 ZINC001019076765 770727127 /nfs/dbraw/zinc/72/71/27/770727127.db2.gz LUFJADCMWKGHFR-INIZCTEOSA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2onc(C)c2C)C1 ZINC000994426272 770780838 /nfs/dbraw/zinc/78/08/38/770780838.db2.gz RWRFATLKBOHAEZ-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2onc(C)c2C)C1 ZINC000994426272 770780843 /nfs/dbraw/zinc/78/08/43/770780843.db2.gz RWRFATLKBOHAEZ-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 ZINC001056095642 770812958 /nfs/dbraw/zinc/81/29/58/770812958.db2.gz CQIINYGUJYYWTM-CXAGYDPISA-N 1 1 338.452 0.346 20 30 ECEDMO CCCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001078398875 782871592 /nfs/dbraw/zinc/87/15/92/782871592.db2.gz UWPBHXPXLSYRRO-INIZCTEOSA-N 1 1 345.447 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ccon1)C2 ZINC001019143397 770916368 /nfs/dbraw/zinc/91/63/68/770916368.db2.gz NBENZGVEQOFYQT-HNNXBMFYSA-N 1 1 342.399 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ccon1)C2 ZINC001019143397 770916373 /nfs/dbraw/zinc/91/63/73/770916373.db2.gz NBENZGVEQOFYQT-HNNXBMFYSA-N 1 1 342.399 0.447 20 30 ECEDMO C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168579 770981010 /nfs/dbraw/zinc/98/10/10/770981010.db2.gz KRNGCEMIOBJCCJ-IOSBVQAASA-N 1 1 325.840 0.793 20 30 ECEDMO C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019168579 770981016 /nfs/dbraw/zinc/98/10/16/770981016.db2.gz KRNGCEMIOBJCCJ-IOSBVQAASA-N 1 1 325.840 0.793 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001060694155 770983530 /nfs/dbraw/zinc/98/35/30/770983530.db2.gz ZEMMHHHQJKQJHB-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001060700229 771020063 /nfs/dbraw/zinc/02/00/63/771020063.db2.gz ZITUAWFRYFDGPS-AJNGGQMLSA-N 1 1 336.436 0.268 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001060700229 771020070 /nfs/dbraw/zinc/02/00/70/771020070.db2.gz ZITUAWFRYFDGPS-AJNGGQMLSA-N 1 1 336.436 0.268 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001056234470 771027033 /nfs/dbraw/zinc/02/70/33/771027033.db2.gz FCCSICKVCYJRJN-DLTWYDFYSA-N 1 1 340.431 0.773 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)C[C@@H]21 ZINC001042172869 782888707 /nfs/dbraw/zinc/88/87/07/782888707.db2.gz JWEFOAWEYFIQRZ-CABCVRRESA-N 1 1 341.415 0.605 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)CC(C)(C)C1 ZINC001089398426 771045207 /nfs/dbraw/zinc/04/52/07/771045207.db2.gz DPXPSIQPFGIALT-CQSZACIVSA-N 1 1 341.477 0.262 20 30 ECEDMO CN1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1=O ZINC001019262215 771073457 /nfs/dbraw/zinc/07/34/57/771073457.db2.gz MZRVDICIOUKXRS-HOTGVXAUSA-N 1 1 344.390 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089432965 771165816 /nfs/dbraw/zinc/16/58/16/771165816.db2.gz FXJCCRQIOSAQHX-CYBMUJFWSA-N 1 1 332.404 0.189 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001077550934 771214350 /nfs/dbraw/zinc/21/43/50/771214350.db2.gz CBJVHPRECPEDMO-RRFJBIMHSA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001077550934 771214353 /nfs/dbraw/zinc/21/43/53/771214353.db2.gz CBJVHPRECPEDMO-RRFJBIMHSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001077551092 771220405 /nfs/dbraw/zinc/22/04/05/771220405.db2.gz LLWCMQYPJGMVGJ-RRFJBIMHSA-N 1 1 335.448 0.208 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)CC(C)(C)C1 ZINC001089458382 771234714 /nfs/dbraw/zinc/23/47/14/771234714.db2.gz KUPQJBWYCREGHU-HNNXBMFYSA-N 1 1 336.480 0.601 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1 ZINC001056410192 771241686 /nfs/dbraw/zinc/24/16/86/771241686.db2.gz GPXCYVPGYKVLAW-CVGURMSBSA-N 1 1 326.404 0.241 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001031555953 771271076 /nfs/dbraw/zinc/27/10/76/771271076.db2.gz ALTDAGHDQFNIPI-OAHLLOKOSA-N 1 1 331.420 0.421 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@H](NC(=O)C#CC3CC3)CC2)C1 ZINC001060729290 771292201 /nfs/dbraw/zinc/29/22/01/771292201.db2.gz ROOTXZGTRIDSDW-BRWVUGGUSA-N 1 1 347.459 0.522 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@H](NC(=O)C#CC3CC3)CC2)C1 ZINC001060729290 771292208 /nfs/dbraw/zinc/29/22/08/771292208.db2.gz ROOTXZGTRIDSDW-BRWVUGGUSA-N 1 1 347.459 0.522 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC001019443053 771293718 /nfs/dbraw/zinc/29/37/18/771293718.db2.gz GFHCAGWUKIERIG-ZBFHGGJFSA-N 1 1 329.444 0.658 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)O1 ZINC001056463764 771299846 /nfs/dbraw/zinc/29/98/46/771299846.db2.gz KTTBFOZBLFGEKT-YIUHCBHRSA-N 1 1 341.415 0.223 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)O1 ZINC001056463764 771299850 /nfs/dbraw/zinc/29/98/50/771299850.db2.gz KTTBFOZBLFGEKT-YIUHCBHRSA-N 1 1 341.415 0.223 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001056472841 771311836 /nfs/dbraw/zinc/31/18/36/771311836.db2.gz WZBCXAAKCWALHT-CVEARBPZSA-N 1 1 346.431 0.986 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnc(CC)[nH]3)C2)nn1 ZINC001019482036 771346185 /nfs/dbraw/zinc/34/61/85/771346185.db2.gz DBXPBZWFCDKCHE-RYUDHWBXSA-N 1 1 344.423 0.710 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CCF)C2)nn1 ZINC001019483138 771346639 /nfs/dbraw/zinc/34/66/39/771346639.db2.gz JIVCGEKAULTJFQ-LBPRGKRZSA-N 1 1 348.386 0.029 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001031589046 771353086 /nfs/dbraw/zinc/35/30/86/771353086.db2.gz IBULDJZSDBOSGV-AWEZNQCLSA-N 1 1 331.420 0.475 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnn(CC)n3)C2)nn1 ZINC001019493526 771358110 /nfs/dbraw/zinc/35/81/10/771358110.db2.gz BPWUCCWZPLXKEV-ZDUSSCGKSA-N 1 1 344.423 0.470 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001019493765 771358230 /nfs/dbraw/zinc/35/82/30/771358230.db2.gz MQVKVLJCFVHKSU-YPMHNXCESA-N 1 1 344.423 0.846 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001019500220 771368005 /nfs/dbraw/zinc/36/80/05/771368005.db2.gz KQVDIQXNEKPIQO-DZKIICNBSA-N 1 1 348.451 0.755 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC(C)(C)C1 ZINC001089513357 771379998 /nfs/dbraw/zinc/37/99/98/771379998.db2.gz CECNZDHOGFKNML-KGLIPLIRSA-N 1 1 343.493 0.813 20 30 ECEDMO CC(C)N1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001031602613 771394016 /nfs/dbraw/zinc/39/40/16/771394016.db2.gz JNWQUDOJEYLJGE-OAHLLOKOSA-N 1 1 329.404 0.557 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056599242 771419241 /nfs/dbraw/zinc/41/92/41/771419241.db2.gz DAGSBQWWCHAFGD-CABCVRRESA-N 1 1 329.404 0.605 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056599242 771419243 /nfs/dbraw/zinc/41/92/43/771419243.db2.gz DAGSBQWWCHAFGD-CABCVRRESA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001060734651 771442038 /nfs/dbraw/zinc/44/20/38/771442038.db2.gz ALKYWZWVPQHPPX-JYJNAYRXSA-N 1 1 337.464 0.932 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCCO1 ZINC001089548250 771450854 /nfs/dbraw/zinc/45/08/54/771450854.db2.gz KLYRWLLCQMQPCD-OAHLLOKOSA-N 1 1 346.435 0.402 20 30 ECEDMO CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001056642291 771458615 /nfs/dbraw/zinc/45/86/15/771458615.db2.gz HVVWLADTWNOXGI-QWHCGFSZSA-N 1 1 328.420 0.875 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001056648102 771466542 /nfs/dbraw/zinc/46/65/42/771466542.db2.gz GLKZEUKJSWRLFS-TZMCWYRMSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001056648102 771466545 /nfs/dbraw/zinc/46/65/45/771466545.db2.gz GLKZEUKJSWRLFS-TZMCWYRMSA-N 1 1 330.392 0.082 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089552840 771467655 /nfs/dbraw/zinc/46/76/55/771467655.db2.gz FKYZIBAUNITLBU-ZDUSSCGKSA-N 1 1 346.431 0.730 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001031619596 771469859 /nfs/dbraw/zinc/46/98/59/771469859.db2.gz AEOPRGAJYHWLEY-HNNXBMFYSA-N 1 1 327.388 0.335 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561402 771494929 /nfs/dbraw/zinc/49/49/29/771494929.db2.gz PKLLZGXWZTVGAO-ZIAGYGMSSA-N 1 1 343.493 0.861 20 30 ECEDMO C[C@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031623412 771506818 /nfs/dbraw/zinc/50/68/18/771506818.db2.gz FHZDQHJVUQDRKV-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001056681741 771509235 /nfs/dbraw/zinc/50/92/35/771509235.db2.gz RZNPITGJGRYDJE-YESZJQIVSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CCCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001056691848 771521041 /nfs/dbraw/zinc/52/10/41/771521041.db2.gz AWQWQXRKOFOVQI-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)C2CCN(C(=O)C(F)F)CC2)C1=O ZINC001089568174 771526308 /nfs/dbraw/zinc/52/63/08/771526308.db2.gz GAEUKDDNRQTUTL-CYBMUJFWSA-N 1 1 345.390 0.324 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042210499 782943413 /nfs/dbraw/zinc/94/34/13/782943413.db2.gz JYFFQYMNQLLZID-DZGCQCFKSA-N 1 1 342.399 0.475 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042210499 782943419 /nfs/dbraw/zinc/94/34/19/782943419.db2.gz JYFFQYMNQLLZID-DZGCQCFKSA-N 1 1 342.399 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)cn1 ZINC001019675715 771703642 /nfs/dbraw/zinc/70/36/42/771703642.db2.gz ZXVCPJTXEGZVGL-FZMZJTMJSA-N 1 1 325.376 0.152 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001056870716 771746003 /nfs/dbraw/zinc/74/60/03/771746003.db2.gz BVUIKHHMAWOIDM-GJZGRUSLSA-N 1 1 328.420 0.788 20 30 ECEDMO Cc1nc(N(C)[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001056879837 771757019 /nfs/dbraw/zinc/75/70/19/771757019.db2.gz NRPUEDZWTHWIGY-HOTGVXAUSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1nc(N(C)[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001056879837 771757022 /nfs/dbraw/zinc/75/70/22/771757022.db2.gz NRPUEDZWTHWIGY-HOTGVXAUSA-N 1 1 343.431 0.629 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCO[C@@H](C[NH2+][C@H](C)c2nnnn2C)C1 ZINC001078440513 782956143 /nfs/dbraw/zinc/95/61/43/782956143.db2.gz ASKDBOZVSXENAS-OLZOCXBDSA-N 1 1 336.440 0.690 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056939779 771835747 /nfs/dbraw/zinc/83/57/47/771835747.db2.gz CZXQTGKNVZYWLM-AWEZNQCLSA-N 1 1 344.419 0.108 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001057064442 772023894 /nfs/dbraw/zinc/02/38/94/772023894.db2.gz OYYTWNSJGMAESW-JHJVBQTASA-N 1 1 337.387 0.912 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccncc3C#N)CC2)C1 ZINC001057115344 772108704 /nfs/dbraw/zinc/10/87/04/772108704.db2.gz OCTWDQQVCYLBHX-MRXNPFEDSA-N 1 1 329.404 0.323 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccncc3C#N)CC2)C1 ZINC001057115344 772108705 /nfs/dbraw/zinc/10/87/05/772108705.db2.gz OCTWDQQVCYLBHX-MRXNPFEDSA-N 1 1 329.404 0.323 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1C ZINC001020053912 772112593 /nfs/dbraw/zinc/11/25/93/772112593.db2.gz DHZJIFDYMAOSCY-DZKIICNBSA-N 1 1 328.416 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1C ZINC001020053912 772112595 /nfs/dbraw/zinc/11/25/95/772112595.db2.gz DHZJIFDYMAOSCY-DZKIICNBSA-N 1 1 328.416 0.832 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057168427 772208726 /nfs/dbraw/zinc/20/87/26/772208726.db2.gz GASOVNWXSYVKPT-HZPDHXFCSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(C)c2)[C@H]1C ZINC001020181207 772253698 /nfs/dbraw/zinc/25/36/98/772253698.db2.gz GPGPAUBFWZIFGI-XIRDDKMYSA-N 1 1 342.443 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(C)c2)[C@H]1C ZINC001020181207 772253703 /nfs/dbraw/zinc/25/37/03/772253703.db2.gz GPGPAUBFWZIFGI-XIRDDKMYSA-N 1 1 342.443 0.842 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@@H](C[NH2+][C@@H](C)c3nnnn3C)C2)C1 ZINC001078465237 782996453 /nfs/dbraw/zinc/99/64/53/782996453.db2.gz SQPPMBJFAHVIES-KBPBESRZSA-N 1 1 348.451 0.835 20 30 ECEDMO C=CCC1(C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001057212572 772287218 /nfs/dbraw/zinc/28/72/18/772287218.db2.gz QGXVVYRUJUDPLJ-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057234654 772319303 /nfs/dbraw/zinc/31/93/03/772319303.db2.gz KSXQFKBPWLROHT-ZIAGYGMSSA-N 1 1 328.420 0.585 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H](C)c2csnn2)C1 ZINC001020250700 772351030 /nfs/dbraw/zinc/35/10/30/772351030.db2.gz LRWSXLWXXJQGDH-ABHRYQDASA-N 1 1 333.461 0.934 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H](C)c2csnn2)C1 ZINC001020250700 772351033 /nfs/dbraw/zinc/35/10/33/772351033.db2.gz LRWSXLWXXJQGDH-ABHRYQDASA-N 1 1 333.461 0.934 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)C[N@H+]2CCC[C@@H]2C)nn1 ZINC001078468011 783004985 /nfs/dbraw/zinc/00/49/85/783004985.db2.gz VDPGQDDBNBSSEJ-KBPBESRZSA-N 1 1 348.451 0.573 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)nc1 ZINC001020272390 772382610 /nfs/dbraw/zinc/38/26/10/772382610.db2.gz JXOGTRFZFKXTEH-BPUTZDHNSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001057293290 772416972 /nfs/dbraw/zinc/41/69/72/772416972.db2.gz QJEUFGNLJSPPCO-VVLHAWIVSA-N 1 1 347.459 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001057293290 772416975 /nfs/dbraw/zinc/41/69/75/772416975.db2.gz QJEUFGNLJSPPCO-VVLHAWIVSA-N 1 1 347.459 0.067 20 30 ECEDMO C#CCN1CC[C@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]21 ZINC001042268217 783010950 /nfs/dbraw/zinc/01/09/50/783010950.db2.gz ZQUQXGBURFFVRY-DOTOQJQBSA-N 1 1 329.448 0.614 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC001020302796 772418135 /nfs/dbraw/zinc/41/81/35/772418135.db2.gz SRCOCCSXCJVHSH-FPCVCCKLSA-N 1 1 334.464 0.494 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3nccnc3C#N)CC2)C1 ZINC001057337190 772483288 /nfs/dbraw/zinc/48/32/88/772483288.db2.gz OHVAIMBNIUFUJS-OAHLLOKOSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3nccnc3C#N)CC2)C1 ZINC001057337190 772483292 /nfs/dbraw/zinc/48/32/92/772483292.db2.gz OHVAIMBNIUFUJS-OAHLLOKOSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2[nH]cnc2C)[C@H]1C ZINC001020390300 772529573 /nfs/dbraw/zinc/52/95/73/772529573.db2.gz TYBSHAHIHCZFQB-KKUMJFAQSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2[nH]cnc2C)[C@H]1C ZINC001020390300 772529576 /nfs/dbraw/zinc/52/95/76/772529576.db2.gz TYBSHAHIHCZFQB-KKUMJFAQSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001057387940 772555565 /nfs/dbraw/zinc/55/55/65/772555565.db2.gz AAFGWPGJYUMOSL-IBGZPJMESA-N 1 1 349.475 0.603 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)C ZINC001057525453 772718062 /nfs/dbraw/zinc/71/80/62/772718062.db2.gz UJPKNIQVTKEQGW-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001057525322 772718339 /nfs/dbraw/zinc/71/83/39/772718339.db2.gz PFALQDMRDJZAAV-HOTGVXAUSA-N 1 1 337.464 0.313 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001057587526 772783205 /nfs/dbraw/zinc/78/32/05/772783205.db2.gz GQTFDYAHBFOYRP-INIZCTEOSA-N 1 1 337.464 0.456 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057601320 772799018 /nfs/dbraw/zinc/79/90/18/772799018.db2.gz NHPKXASJLXYWOZ-KBPBESRZSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001057601320 772799019 /nfs/dbraw/zinc/79/90/19/772799019.db2.gz NHPKXASJLXYWOZ-KBPBESRZSA-N 1 1 330.392 0.082 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057643723 772855499 /nfs/dbraw/zinc/85/54/99/772855499.db2.gz JEQVPRXQOZBUKI-ZIAGYGMSSA-N 1 1 336.436 0.587 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](Nc2nccnc2C#N)C1 ZINC001057652186 772868198 /nfs/dbraw/zinc/86/81/98/772868198.db2.gz AIXAHDAPZBBVSD-CYBMUJFWSA-N 1 1 325.376 0.956 20 30 ECEDMO N#Cc1nccnc1N[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001057668344 772891922 /nfs/dbraw/zinc/89/19/22/772891922.db2.gz UODCNSMJWVDQLU-AWEZNQCLSA-N 1 1 344.419 0.473 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057718837 772942042 /nfs/dbraw/zinc/94/20/42/772942042.db2.gz UQMKZSKSXURBIY-SJORKVTESA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(c2cncc(C#N)n2)CC1 ZINC001057785518 772981107 /nfs/dbraw/zinc/98/11/07/772981107.db2.gz GLGVNJLEAIGRTE-OAHLLOKOSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057791304 772986994 /nfs/dbraw/zinc/98/69/94/772986994.db2.gz HWRKPPFVQLTIPS-CQSZACIVSA-N 1 1 328.420 0.633 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057791303 772987041 /nfs/dbraw/zinc/98/70/41/772987041.db2.gz HWRKPPFVQLTIPS-AWEZNQCLSA-N 1 1 328.420 0.633 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001057806915 773006469 /nfs/dbraw/zinc/00/64/69/773006469.db2.gz WRYGHNUWWYNJJX-HUUCEWRRSA-N 1 1 325.453 0.478 20 30 ECEDMO Cc1nsc(N2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1C#N ZINC001057845444 773063594 /nfs/dbraw/zinc/06/35/94/773063594.db2.gz GEQJQQQNHNMYJJ-AWEZNQCLSA-N 1 1 349.460 0.739 20 30 ECEDMO Cc1nsc(N2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1C#N ZINC001057845444 773063598 /nfs/dbraw/zinc/06/35/98/773063598.db2.gz GEQJQQQNHNMYJJ-AWEZNQCLSA-N 1 1 349.460 0.739 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)C ZINC001057854255 773075603 /nfs/dbraw/zinc/07/56/03/773075603.db2.gz BQRYUSBIWIDWEZ-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057858268 773079347 /nfs/dbraw/zinc/07/93/47/773079347.db2.gz ZHZNFJKJLJTZOU-GASCZTMLSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057863334 773088401 /nfs/dbraw/zinc/08/84/01/773088401.db2.gz NNSSMVWOIRYNCQ-UHFFFAOYSA-N 1 1 325.453 0.457 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057864309 773092229 /nfs/dbraw/zinc/09/22/29/773092229.db2.gz LVGUXVVPIZEMRP-OAHLLOKOSA-N 1 1 327.469 0.866 20 30 ECEDMO C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C(C)(C)[N@H+](C)CC ZINC001057942708 773236567 /nfs/dbraw/zinc/23/65/67/773236567.db2.gz QXAYONKZMLBTCG-AWEZNQCLSA-N 1 1 343.468 0.245 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057945781 773245824 /nfs/dbraw/zinc/24/58/24/773245824.db2.gz HCQPEJCVXLSUAP-IUODEOHRSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057945944 773247014 /nfs/dbraw/zinc/24/70/14/773247014.db2.gz MRVWEPKSWGBYEL-WFASDCNBSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@@H](C=C)CC ZINC001057961984 773292999 /nfs/dbraw/zinc/29/29/99/773292999.db2.gz BXAPQJRCGSPPDF-IRXDYDNUSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@@H](C=C)CC ZINC001057961984 773293004 /nfs/dbraw/zinc/29/30/04/773293004.db2.gz BXAPQJRCGSPPDF-IRXDYDNUSA-N 1 1 349.475 0.623 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001057973882 773317093 /nfs/dbraw/zinc/31/70/93/773317093.db2.gz CUGAIPXVHLZEGS-DLBZAZTESA-N 1 1 347.459 0.354 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001040612948 783102127 /nfs/dbraw/zinc/10/21/27/783102127.db2.gz HNQXOXZLVJZRJQ-APWZRJJASA-N 1 1 349.475 0.744 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040614421 783104077 /nfs/dbraw/zinc/10/40/77/783104077.db2.gz ZBOLOADEHRYEPT-SFHVURJKSA-N 1 1 346.431 0.465 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058134493 773604492 /nfs/dbraw/zinc/60/44/92/773604492.db2.gz GMNOZRFWWIMXKS-HOCLYGCPSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058134493 773604494 /nfs/dbraw/zinc/60/44/94/773604494.db2.gz GMNOZRFWWIMXKS-HOCLYGCPSA-N 1 1 329.404 0.369 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058157903 773658478 /nfs/dbraw/zinc/65/84/78/773658478.db2.gz KFMJWYJHDAGKRZ-HOTGVXAUSA-N 1 1 339.480 0.868 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058158477 773662321 /nfs/dbraw/zinc/66/23/21/773662321.db2.gz ZLBUEHCPJRJFPK-MRXNPFEDSA-N 1 1 337.464 0.459 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058167699 773683887 /nfs/dbraw/zinc/68/38/87/773683887.db2.gz JOFPCCHQFGNQBZ-RDJZCZTQSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058167699 773683891 /nfs/dbraw/zinc/68/38/91/773683891.db2.gz JOFPCCHQFGNQBZ-RDJZCZTQSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058167759 773684147 /nfs/dbraw/zinc/68/41/47/773684147.db2.gz LHSWVGFHQGTKPJ-KBPBESRZSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058167759 773684150 /nfs/dbraw/zinc/68/41/50/773684150.db2.gz LHSWVGFHQGTKPJ-KBPBESRZSA-N 1 1 344.419 0.154 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)C#CC(C)C ZINC001058252445 773845187 /nfs/dbraw/zinc/84/51/87/773845187.db2.gz KIVUUVAFNBMBAI-UHFFFAOYSA-N 1 1 325.453 0.315 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040631186 783137414 /nfs/dbraw/zinc/13/74/14/783137414.db2.gz ZLVJZMSBIWTFQJ-MAUKXSAKSA-N 1 1 348.447 0.873 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058287728 773922430 /nfs/dbraw/zinc/92/24/30/773922430.db2.gz BLFUHEFUSHWJAI-CQSZACIVSA-N 1 1 325.453 0.478 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058381369 774068398 /nfs/dbraw/zinc/06/83/98/774068398.db2.gz GUSLAYGDYNISGC-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCCC#CC ZINC001058444357 774193402 /nfs/dbraw/zinc/19/34/02/774193402.db2.gz NKWODPHCBSOUJW-KRWDZBQOSA-N 1 1 347.459 0.215 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCCC#CC ZINC001058444357 774193404 /nfs/dbraw/zinc/19/34/04/774193404.db2.gz NKWODPHCBSOUJW-KRWDZBQOSA-N 1 1 347.459 0.215 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058466515 774239662 /nfs/dbraw/zinc/23/96/62/774239662.db2.gz PJLQSSPRPSEHCD-GJZGRUSLSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058623195 774560530 /nfs/dbraw/zinc/56/05/30/774560530.db2.gz JWOHDTKCANJDSW-CABCVRRESA-N 1 1 325.453 0.478 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001040654152 783193188 /nfs/dbraw/zinc/19/31/88/783193188.db2.gz QDBSSHFGHUHOSB-TXPKVOOTSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001044913393 774724874 /nfs/dbraw/zinc/72/48/74/774724874.db2.gz NXQHLUJZRHLKJH-YJBOKZPZSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001044913393 774724881 /nfs/dbraw/zinc/72/48/81/774724881.db2.gz NXQHLUJZRHLKJH-YJBOKZPZSA-N 1 1 345.443 0.130 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039858574 783201061 /nfs/dbraw/zinc/20/10/61/783201061.db2.gz QSNKHAUYFQVCNK-IIDMSEBBSA-N 1 1 335.448 0.066 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001044980474 774795108 /nfs/dbraw/zinc/79/51/08/774795108.db2.gz NCFGXMGXOKTZJZ-OLZOCXBDSA-N 1 1 334.420 0.339 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(c4ccnc(C#N)n4)[C@H]3C2)C1 ZINC001045041450 774886412 /nfs/dbraw/zinc/88/64/12/774886412.db2.gz QLTXRNRHVHFMSS-ZNMIVQPWSA-N 1 1 340.431 0.727 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001045069672 774930669 /nfs/dbraw/zinc/93/06/69/774930669.db2.gz ZDJJFMONRGJKHG-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H](C=C)CC)C1 ZINC001045072776 774934758 /nfs/dbraw/zinc/93/47/58/774934758.db2.gz RDPSJJBEBOOICE-CVEARBPZSA-N 1 1 347.459 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H](C=C)CC)C1 ZINC001045072776 774934761 /nfs/dbraw/zinc/93/47/61/774934761.db2.gz RDPSJJBEBOOICE-CVEARBPZSA-N 1 1 347.459 0.376 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(c3ncc(C#N)cc3F)C[C@@H]2O)C1 ZINC001044063010 775621209 /nfs/dbraw/zinc/62/12/09/775621209.db2.gz TVGHKWVZBJUCDE-DFBGVHRSSA-N 1 1 347.394 0.100 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 ZINC001068493489 790402329 /nfs/dbraw/zinc/40/23/29/790402329.db2.gz RJEPMOIXWZBILF-JOCQHMNTSA-N 1 1 325.376 0.860 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2(C)CCN(CC(=O)N(C)C)CC2)CC1 ZINC001045646086 775959820 /nfs/dbraw/zinc/95/98/20/775959820.db2.gz BPVNGIDZNALJEL-UHFFFAOYSA-N 1 1 348.491 0.391 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044298563 776090290 /nfs/dbraw/zinc/09/02/90/776090290.db2.gz NQVKKSHHEUABOY-INIZCTEOSA-N 1 1 325.453 0.620 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCCNC2=O)[nH]1 ZINC001045757231 776147155 /nfs/dbraw/zinc/14/71/55/776147155.db2.gz DQBDNXAKLJPJIG-IJEWVQPXSA-N 1 1 341.415 0.844 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070042020 790428351 /nfs/dbraw/zinc/42/83/51/790428351.db2.gz UVPPEQIQAVCVJJ-OAHLLOKOSA-N 1 1 333.432 0.276 20 30 ECEDMO CCN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079618424 776533988 /nfs/dbraw/zinc/53/39/88/776533988.db2.gz YRYBKFIAZRFXHW-UHFFFAOYSA-N 1 1 331.420 0.901 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642732 776589210 /nfs/dbraw/zinc/58/92/10/776589210.db2.gz KFNZCSMSNMCQIN-WQAKAFBOSA-N 1 1 334.401 0.665 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642732 776589216 /nfs/dbraw/zinc/58/92/16/776589216.db2.gz KFNZCSMSNMCQIN-WQAKAFBOSA-N 1 1 334.401 0.665 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079689487 776691543 /nfs/dbraw/zinc/69/15/43/776691543.db2.gz FDVQWRJQUXOZFF-QGZVFWFLSA-N 1 1 325.453 0.713 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001079690437 776694319 /nfs/dbraw/zinc/69/43/19/776694319.db2.gz VESXWZFKDKMGTI-KDOFPFPSSA-N 1 1 337.464 0.857 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3nnn(C)n3)C[C@H]2C)c1 ZINC001044743561 776727695 /nfs/dbraw/zinc/72/76/95/776727695.db2.gz WHVCGVLFCFMCPO-DOMZBBRYSA-N 1 1 339.403 0.369 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001079721041 776761382 /nfs/dbraw/zinc/76/13/82/776761382.db2.gz IJKQEMHMGOZXKQ-MIGQKNRLSA-N 1 1 335.448 0.683 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001079721041 776761390 /nfs/dbraw/zinc/76/13/90/776761390.db2.gz IJKQEMHMGOZXKQ-MIGQKNRLSA-N 1 1 335.448 0.683 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001079736838 776780564 /nfs/dbraw/zinc/78/05/64/776780564.db2.gz MAFBEHWTGWEQEV-UHFFFAOYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001079776888 776852412 /nfs/dbraw/zinc/85/24/12/776852412.db2.gz OFFZIDZFJLBXHV-RDJZCZTQSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCCC(=O)N1CC(N(CC)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001079804809 776905920 /nfs/dbraw/zinc/90/59/20/776905920.db2.gz OEOLEEUJINNPPQ-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](n2ccnn2)C1 ZINC001070065835 790491398 /nfs/dbraw/zinc/49/13/98/790491398.db2.gz GLBXYVTVZHNNMN-HIFRSBDPSA-N 1 1 342.407 0.129 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](n2ccnn2)C1 ZINC001070065835 790491406 /nfs/dbraw/zinc/49/14/06/790491406.db2.gz GLBXYVTVZHNNMN-HIFRSBDPSA-N 1 1 342.407 0.129 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001079855860 776985800 /nfs/dbraw/zinc/98/58/00/776985800.db2.gz VRFKTZCQNWBEOI-FMKPAKJESA-N 1 1 330.432 0.955 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001079855860 776985807 /nfs/dbraw/zinc/98/58/07/776985807.db2.gz VRFKTZCQNWBEOI-FMKPAKJESA-N 1 1 330.432 0.955 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001079861405 776992465 /nfs/dbraw/zinc/99/24/65/776992465.db2.gz XWBYXMPPTGAZOX-HYVNUMGLSA-N 1 1 349.475 0.814 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1C ZINC001079878309 777012190 /nfs/dbraw/zinc/01/21/90/777012190.db2.gz QUNBCXIPTSMMSJ-OLMNPRSZSA-N 1 1 343.475 0.763 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)[C@@H](n2ccnn2)C1 ZINC001070070871 790504807 /nfs/dbraw/zinc/50/48/07/790504807.db2.gz YFKCDMJAIYDUAM-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)[C@@H](n2ccnn2)C1 ZINC001070070871 790504812 /nfs/dbraw/zinc/50/48/12/790504812.db2.gz YFKCDMJAIYDUAM-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001079966672 777168267 /nfs/dbraw/zinc/16/82/67/777168267.db2.gz DTCPZUFMMBZNNT-AWEZNQCLSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001079981430 777187852 /nfs/dbraw/zinc/18/78/52/777187852.db2.gz RAATZPXYWHAMMN-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2conc2COC)[C@@H](n2ccnn2)C1 ZINC001070075284 790518649 /nfs/dbraw/zinc/51/86/49/790518649.db2.gz VKGXINKNEBYCJS-HIFRSBDPSA-N 1 1 346.391 0.644 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2conc2COC)[C@@H](n2ccnn2)C1 ZINC001070075284 790518653 /nfs/dbraw/zinc/51/86/53/790518653.db2.gz VKGXINKNEBYCJS-HIFRSBDPSA-N 1 1 346.391 0.644 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080140509 777450671 /nfs/dbraw/zinc/45/06/71/777450671.db2.gz UODUYQBSJLWLRO-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080221684 777579117 /nfs/dbraw/zinc/57/91/17/777579117.db2.gz IDDNMGFACLCSAN-UKRRQHHQSA-N 1 1 337.464 0.977 20 30 ECEDMO C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080221684 777579124 /nfs/dbraw/zinc/57/91/24/777579124.db2.gz IDDNMGFACLCSAN-UKRRQHHQSA-N 1 1 337.464 0.977 20 30 ECEDMO C#CCCCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001080223007 777580363 /nfs/dbraw/zinc/58/03/63/777580363.db2.gz NVDDNVJHVDIVRK-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001080223007 777580368 /nfs/dbraw/zinc/58/03/68/777580368.db2.gz NVDDNVJHVDIVRK-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043130494 777789296 /nfs/dbraw/zinc/78/92/96/777789296.db2.gz RJFRAGBGJLHGGH-MRXNPFEDSA-N 1 1 334.420 0.483 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080560848 778042083 /nfs/dbraw/zinc/04/20/83/778042083.db2.gz DJJKCWXLTASZTI-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043267085 778071766 /nfs/dbraw/zinc/07/17/66/778071766.db2.gz PUYIMWNGQQNKJZ-CKEIUWERSA-N 1 1 337.464 0.618 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2C)nn1 ZINC001080577765 778081875 /nfs/dbraw/zinc/08/18/75/778081875.db2.gz MSVFBHCWXZSKGV-ZIAGYGMSSA-N 1 1 329.408 0.411 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)C#CC(C)C)O2 ZINC001068571087 790600058 /nfs/dbraw/zinc/60/00/58/790600058.db2.gz ICNQFTIVTWGCMZ-INIZCTEOSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[C@@H](CNC(=O)C#CC2CC2)O3)C1 ZINC001068571240 790601007 /nfs/dbraw/zinc/60/10/07/790601007.db2.gz KEOKWIAHWZWZLH-CVEARBPZSA-N 1 1 345.443 0.228 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043431316 778319369 /nfs/dbraw/zinc/31/93/69/778319369.db2.gz QKJPDVBFEHNSRP-UHFFFAOYSA-N 1 1 348.447 0.317 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001043461801 778371609 /nfs/dbraw/zinc/37/16/09/778371609.db2.gz FAGDFJMZALSFQS-CQSZACIVSA-N 1 1 346.431 0.806 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001043532451 778482902 /nfs/dbraw/zinc/48/29/02/778482902.db2.gz ZQXCUMZROOAADZ-UHFFFAOYSA-N 1 1 348.447 0.317 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070119445 790672723 /nfs/dbraw/zinc/67/27/23/790672723.db2.gz SZNMYFHNAXILFZ-KGLIPLIRSA-N 1 1 339.827 0.799 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1 ZINC001070149052 790757195 /nfs/dbraw/zinc/75/71/95/790757195.db2.gz LOAMGVCEZCLVIE-ZJUUUORDSA-N 1 1 339.812 0.537 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@H]21 ZINC001042317420 780062059 /nfs/dbraw/zinc/06/20/59/780062059.db2.gz XXOLJWJGNRUDDZ-BLLLJJGKSA-N 1 1 337.379 0.740 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@H]21 ZINC001042344944 780108200 /nfs/dbraw/zinc/10/82/00/780108200.db2.gz FAFWSPOQGMZILA-GDBMZVCRSA-N 1 1 332.448 0.723 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]21 ZINC001042368956 780156930 /nfs/dbraw/zinc/15/69/30/780156930.db2.gz TXRRFWNKOONSKY-ZFWWWQNUSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]21 ZINC001042375145 780164490 /nfs/dbraw/zinc/16/44/90/780164490.db2.gz SUSMPUVJBXIZIW-CJNGLKHVSA-N 1 1 326.400 0.740 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001042585134 780485876 /nfs/dbraw/zinc/48/58/76/780485876.db2.gz PFPSIISZCOAOMH-AAVRWANBSA-N 1 1 328.420 0.629 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C ZINC001042621056 780540989 /nfs/dbraw/zinc/54/09/89/780540989.db2.gz GTZDYEGNXQEEJM-BMFZPTHFSA-N 1 1 338.415 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C ZINC001042621056 780540991 /nfs/dbraw/zinc/54/09/91/780540991.db2.gz GTZDYEGNXQEEJM-BMFZPTHFSA-N 1 1 338.415 0.387 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001042633365 780564039 /nfs/dbraw/zinc/56/40/39/780564039.db2.gz AKIBSEHTIZAJIB-BPLDGKMQSA-N 1 1 328.420 0.773 20 30 ECEDMO CN(c1ccc(C#N)nn1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001068656757 790818206 /nfs/dbraw/zinc/81/82/06/790818206.db2.gz BUCMVOBEBFJMKC-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001042747015 780736101 /nfs/dbraw/zinc/73/61/01/780736101.db2.gz YFTZAEOXTNSVTO-BMFZPTHFSA-N 1 1 334.464 0.256 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001042777064 780798053 /nfs/dbraw/zinc/79/80/53/780798053.db2.gz XOLJGNLMZDIXSR-QLFBSQMISA-N 1 1 329.404 0.367 20 30 ECEDMO CO[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001042783110 780809395 /nfs/dbraw/zinc/80/93/95/780809395.db2.gz PGAQITKFQLMITE-HUUCEWRRSA-N 1 1 340.387 0.927 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2cc[nH]n2)CC1 ZINC001079164604 780845247 /nfs/dbraw/zinc/84/52/47/780845247.db2.gz KSNULOCYCSOHRJ-AWEZNQCLSA-N 1 1 346.435 0.614 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001079164604 780845254 /nfs/dbraw/zinc/84/52/54/780845254.db2.gz KSNULOCYCSOHRJ-AWEZNQCLSA-N 1 1 346.435 0.614 20 30 ECEDMO CN(c1ccc(C#N)cn1)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001068663795 790835342 /nfs/dbraw/zinc/83/53/42/790835342.db2.gz MIPLLRKZPFWEKE-INIZCTEOSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(c1ccc(C#N)cn1)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001068663795 790835356 /nfs/dbraw/zinc/83/53/56/790835356.db2.gz MIPLLRKZPFWEKE-INIZCTEOSA-N 1 1 343.431 0.711 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnccn3)C2)C1=O ZINC001079373275 781040946 /nfs/dbraw/zinc/04/09/46/781040946.db2.gz VRJQUGLYCNOHLC-BPLDGKMQSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnccn3)C2)C1=O ZINC001079373275 781040955 /nfs/dbraw/zinc/04/09/55/781040955.db2.gz VRJQUGLYCNOHLC-BPLDGKMQSA-N 1 1 329.404 0.314 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cc(OC)ns2)C1 ZINC001042959810 781101048 /nfs/dbraw/zinc/10/10/48/781101048.db2.gz FJPVXZCFKOIMIY-HNNXBMFYSA-N 1 1 348.472 0.892 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cc(OC)ns2)C1 ZINC001042959810 781101051 /nfs/dbraw/zinc/10/10/51/781101051.db2.gz FJPVXZCFKOIMIY-HNNXBMFYSA-N 1 1 348.472 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(C(C)C)[nH]2)C1 ZINC001042961000 781104119 /nfs/dbraw/zinc/10/41/19/781104119.db2.gz WDHLUPXRZUIFRZ-HNNXBMFYSA-N 1 1 344.463 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(C(C)C)[nH]2)C1 ZINC001042961000 781104125 /nfs/dbraw/zinc/10/41/25/781104125.db2.gz WDHLUPXRZUIFRZ-HNNXBMFYSA-N 1 1 344.463 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C[C@@H]2CCc3ncnn32)C1 ZINC001042962114 781105171 /nfs/dbraw/zinc/10/51/71/781105171.db2.gz CWTHJGNTNABASV-HOCLYGCPSA-N 1 1 342.447 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C[C@@H]2CCc3ncnn32)C1 ZINC001042962114 781105174 /nfs/dbraw/zinc/10/51/74/781105174.db2.gz CWTHJGNTNABASV-HOCLYGCPSA-N 1 1 342.447 0.006 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 ZINC001042965088 781109823 /nfs/dbraw/zinc/10/98/23/781109823.db2.gz UJZUIJSXQNSLHI-INIZCTEOSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043060893 781258177 /nfs/dbraw/zinc/25/81/77/781258177.db2.gz XNSVZUJMGTWHLD-HOTGVXAUSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001043061965 781259936 /nfs/dbraw/zinc/25/99/36/781259936.db2.gz QXEXZJCOSYNIJF-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581635 781285998 /nfs/dbraw/zinc/28/59/98/781285998.db2.gz WXRRPXXYIYMRLC-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581635 781286006 /nfs/dbraw/zinc/28/60/06/781286006.db2.gz WXRRPXXYIYMRLC-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588587 781290433 /nfs/dbraw/zinc/29/04/33/781290433.db2.gz JRWWGVGGWNPUBJ-MLGOLLRUSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588587 781290437 /nfs/dbraw/zinc/29/04/37/781290437.db2.gz JRWWGVGGWNPUBJ-MLGOLLRUSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592680 781295099 /nfs/dbraw/zinc/29/50/99/781295099.db2.gz SGMIEDUWSZZCMH-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592680 781295105 /nfs/dbraw/zinc/29/51/05/781295105.db2.gz SGMIEDUWSZZCMH-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)CC1 ZINC001077625939 781377249 /nfs/dbraw/zinc/37/72/49/781377249.db2.gz FNRYNSHBJLPDAQ-HUUCEWRRSA-N 1 1 349.431 0.043 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2O)CC1 ZINC001077625939 781377254 /nfs/dbraw/zinc/37/72/54/781377254.db2.gz FNRYNSHBJLPDAQ-HUUCEWRRSA-N 1 1 349.431 0.043 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O ZINC001041402734 781441163 /nfs/dbraw/zinc/44/11/63/781441163.db2.gz BCVZVQLTULNDTP-BZUAXINKSA-N 1 1 343.431 0.493 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC001041406086 781446758 /nfs/dbraw/zinc/44/67/58/781446758.db2.gz JCSGNQWXFUMHEY-IBGZPJMESA-N 1 1 340.427 0.671 20 30 ECEDMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077696262 781534524 /nfs/dbraw/zinc/53/45/24/781534524.db2.gz SMRHVTVFWHAFGQ-YYQUZTFQSA-N 1 1 329.400 0.645 20 30 ECEDMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077696262 781534531 /nfs/dbraw/zinc/53/45/31/781534531.db2.gz SMRHVTVFWHAFGQ-YYQUZTFQSA-N 1 1 329.400 0.645 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451550 781544254 /nfs/dbraw/zinc/54/42/54/781544254.db2.gz NCUGAFFWFYPCNC-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451550 781544259 /nfs/dbraw/zinc/54/42/59/781544259.db2.gz NCUGAFFWFYPCNC-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC001041451563 781544556 /nfs/dbraw/zinc/54/45/56/781544556.db2.gz NERPZINXTFSCPI-CRAIPNDOSA-N 1 1 332.448 0.725 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4CC3)C2)C1 ZINC001041487418 781615483 /nfs/dbraw/zinc/61/54/83/781615483.db2.gz SHNXOVMIQVCFOG-MAUKXSAKSA-N 1 1 327.432 0.788 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001041505294 781653399 /nfs/dbraw/zinc/65/33/99/781653399.db2.gz KWVYHHHPHKKHNZ-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3COCCN3CC(F)F)C2)C1 ZINC001041509986 781667194 /nfs/dbraw/zinc/66/71/94/781667194.db2.gz UEMXGXWZQKFUAW-RHSMWYFYSA-N 1 1 341.402 0.510 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H](C)F)C[C@H]2O)nn1 ZINC001077812454 781739158 /nfs/dbraw/zinc/73/91/58/781739158.db2.gz FYQZBQIDANNXKP-YRGRVCCFSA-N 1 1 325.388 0.377 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040727886 783337641 /nfs/dbraw/zinc/33/76/41/783337641.db2.gz UQDCOPUJYGAKKG-QGZVFWFLSA-N 1 1 334.420 0.627 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001039986515 783357900 /nfs/dbraw/zinc/35/79/00/783357900.db2.gz CTYMFESKDMVGJG-YJBOKZPZSA-N 1 1 337.464 0.764 20 30 ECEDMO CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001040765191 783389312 /nfs/dbraw/zinc/38/93/12/783389312.db2.gz HHOLLPIDPWMOTH-HNNXBMFYSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001040813720 783490555 /nfs/dbraw/zinc/49/05/55/783490555.db2.gz BHKZMLWSTPZZIG-HNAYVOBHSA-N 1 1 349.475 0.907 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001040096593 783532223 /nfs/dbraw/zinc/53/22/23/783532223.db2.gz QJJAUFKBMBJPES-APWZRJJASA-N 1 1 347.459 0.354 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001040098634 783536551 /nfs/dbraw/zinc/53/65/51/783536551.db2.gz CJQALYBVLRSIRN-SFHVURJKSA-N 1 1 337.464 0.600 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2nccc(C)n2)C[C@@H]1n1ccnn1 ZINC001070185330 783615845 /nfs/dbraw/zinc/61/58/45/783615845.db2.gz PHVLSPANMHCCAR-OLZOCXBDSA-N 1 1 347.810 0.784 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2cnc(CC(C)C)[nH]2)C[C@@H]1n1ccnn1 ZINC001070193932 783628111 /nfs/dbraw/zinc/62/81/11/783628111.db2.gz YUMIQBSXMMHIDY-CABCVRRESA-N 1 1 341.419 0.488 20 30 ECEDMO CC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001037841083 783632834 /nfs/dbraw/zinc/63/28/34/783632834.db2.gz OKECRQYBWQQIBU-SMDDNHRTSA-N 1 1 342.407 0.440 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001070247392 783736589 /nfs/dbraw/zinc/73/65/89/783736589.db2.gz SRYPGLNZPTUKJA-CABCVRRESA-N 1 1 335.371 0.443 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258289 783756229 /nfs/dbraw/zinc/75/62/29/783756229.db2.gz NVQKYXBJMWFRBW-BBWFWOEESA-N 1 1 344.463 0.375 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258289 783756232 /nfs/dbraw/zinc/75/62/32/783756232.db2.gz NVQKYXBJMWFRBW-BBWFWOEESA-N 1 1 344.463 0.375 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001070279215 783785213 /nfs/dbraw/zinc/78/52/13/783785213.db2.gz QGDPNWPHXPDDQN-YIYPIFLZSA-N 1 1 339.827 0.940 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC)n[nH]1 ZINC001070355467 783877357 /nfs/dbraw/zinc/87/73/57/783877357.db2.gz BJZGQVRNTLPKLC-CRWXNKLISA-N 1 1 349.435 0.494 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC)n1 ZINC001070355467 783877364 /nfs/dbraw/zinc/87/73/64/783877364.db2.gz BJZGQVRNTLPKLC-CRWXNKLISA-N 1 1 349.435 0.494 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)cc2)C1 ZINC001038134495 783899448 /nfs/dbraw/zinc/89/94/48/783899448.db2.gz FOUXQYTWPSSFSD-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)cc2)C1 ZINC001038134495 783899450 /nfs/dbraw/zinc/89/94/50/783899450.db2.gz FOUXQYTWPSSFSD-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCCN2C)CC1 ZINC001070367529 783902684 /nfs/dbraw/zinc/90/26/84/783902684.db2.gz ZJUDQHNLBMWJEX-NUJGCVRESA-N 1 1 348.491 0.742 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnon2)C1 ZINC001070387344 783934925 /nfs/dbraw/zinc/93/49/25/783934925.db2.gz JTCFCBAPOBFTGK-ZDUSSCGKSA-N 1 1 327.344 0.481 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnon2)C1 ZINC001070387344 783934931 /nfs/dbraw/zinc/93/49/31/783934931.db2.gz JTCFCBAPOBFTGK-ZDUSSCGKSA-N 1 1 327.344 0.481 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COCCO2)C1 ZINC001070397484 783961742 /nfs/dbraw/zinc/96/17/42/783961742.db2.gz CLXWGMNGTAYTRL-UKRRQHHQSA-N 1 1 334.420 0.807 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001070403390 783979712 /nfs/dbraw/zinc/97/97/12/783979712.db2.gz RJXLAHFLVIQSMH-ZBFHGGJFSA-N 1 1 347.463 0.722 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001070403387 783979914 /nfs/dbraw/zinc/97/99/14/783979914.db2.gz RJXLAHFLVIQSMH-GDBMZVCRSA-N 1 1 347.463 0.722 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001070406347 783986917 /nfs/dbraw/zinc/98/69/17/783986917.db2.gz SBMFRZJBVSWCIZ-CQSZACIVSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)nn2)C1 ZINC001070407368 783990779 /nfs/dbraw/zinc/99/07/79/783990779.db2.gz DMPBHMMNUKRCJQ-GFCCVEGCSA-N 1 1 327.392 0.281 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(CC)n2)C1 ZINC001070407313 783991058 /nfs/dbraw/zinc/99/10/58/783991058.db2.gz BVVVXIZAHYONDG-ZDUSSCGKSA-N 1 1 341.419 0.764 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)nn2)C1 ZINC001070408657 783993857 /nfs/dbraw/zinc/99/38/57/783993857.db2.gz YEYGTPVUMZKHRN-GFCCVEGCSA-N 1 1 329.408 0.834 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001070411165 783999744 /nfs/dbraw/zinc/99/97/44/783999744.db2.gz FLYKHKYRDVBSKR-KBPBESRZSA-N 1 1 343.431 0.317 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001070411215 783999965 /nfs/dbraw/zinc/99/99/65/783999965.db2.gz HBFZBRCCPIEZRU-KBPBESRZSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CC#C)C1 ZINC001070412843 784006476 /nfs/dbraw/zinc/00/64/76/784006476.db2.gz LSBYNWJZPOFCMS-RDJZCZTQSA-N 1 1 339.443 0.546 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001070412793 784007510 /nfs/dbraw/zinc/00/75/10/784007510.db2.gz KLSIWJMQTAXRKP-DZGCQCFKSA-N 1 1 343.431 0.507 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001070414079 784010521 /nfs/dbraw/zinc/01/05/21/784010521.db2.gz DTJBFXFXXCUMCM-LBPRGKRZSA-N 1 1 340.387 0.648 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001070415143 784016153 /nfs/dbraw/zinc/01/61/53/784016153.db2.gz YDLZXYBUQZPSCE-LBPRGKRZSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001070419557 784024937 /nfs/dbraw/zinc/02/49/37/784024937.db2.gz BXDUESWMXLIDGZ-ZFWWWQNUSA-N 1 1 343.431 0.459 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001070432681 784056515 /nfs/dbraw/zinc/05/65/15/784056515.db2.gz NQOITGZWEVMRFC-OCCSQVGLSA-N 1 1 331.420 0.670 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cnn(C)c1)C[C@H]2c1nnc(C)[nH]1 ZINC001070440805 784079483 /nfs/dbraw/zinc/07/94/83/784079483.db2.gz MQSZOXJQJZSNRK-AWEZNQCLSA-N 1 1 341.419 0.574 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442245 784084471 /nfs/dbraw/zinc/08/44/71/784084471.db2.gz FTGNDGVHERXGSG-CABCVRRESA-N 1 1 344.463 0.621 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@]1(F)CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070449926 784108408 /nfs/dbraw/zinc/10/84/08/784108408.db2.gz YHCLUHLGBBZKQQ-SUMWQHHRSA-N 1 1 349.410 0.656 20 30 ECEDMO C[N@@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1)C1CCC1 ZINC001070454437 784120727 /nfs/dbraw/zinc/12/07/27/784120727.db2.gz ARQRYTGPTRAWLF-CYBMUJFWSA-N 1 1 338.477 0.835 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001070475059 784155667 /nfs/dbraw/zinc/15/56/67/784155667.db2.gz BPZSHWUXKWMWSI-CORIIIEPSA-N 1 1 328.376 0.652 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCn2cccn2)CC1 ZINC001070940765 784172564 /nfs/dbraw/zinc/17/25/64/784172564.db2.gz VBJAVOYBWVRMSC-UHFFFAOYSA-N 1 1 333.436 0.500 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnsn2)CC1 ZINC001070943410 784182170 /nfs/dbraw/zinc/18/21/70/784182170.db2.gz OGKMDKNOIMITKZ-UHFFFAOYSA-N 1 1 337.449 0.768 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnsn2)CC1 ZINC001070943410 784182175 /nfs/dbraw/zinc/18/21/75/784182175.db2.gz OGKMDKNOIMITKZ-UHFFFAOYSA-N 1 1 337.449 0.768 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)c2)CC1 ZINC001070949545 784200604 /nfs/dbraw/zinc/20/06/04/784200604.db2.gz JVPBCBMKLVTZOG-UHFFFAOYSA-N 1 1 333.436 0.743 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)c2)CC1 ZINC001070949545 784200608 /nfs/dbraw/zinc/20/06/08/784200608.db2.gz JVPBCBMKLVTZOG-UHFFFAOYSA-N 1 1 333.436 0.743 20 30 ECEDMO CC(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070955390 784217289 /nfs/dbraw/zinc/21/72/89/784217289.db2.gz VCFXDDSPKIBVFK-UHFFFAOYSA-N 1 1 331.420 0.806 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 ZINC001070956291 784220885 /nfs/dbraw/zinc/22/08/85/784220885.db2.gz KOZQHEYKXZMLCD-GOSISDBHSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 ZINC001070956291 784220888 /nfs/dbraw/zinc/22/08/88/784220888.db2.gz KOZQHEYKXZMLCD-GOSISDBHSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1c1cn(C)cn1 ZINC001070535770 784240530 /nfs/dbraw/zinc/24/05/30/784240530.db2.gz LHZFKONUENPWAB-DZGCQCFKSA-N 1 1 329.408 0.241 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070535770 784240538 /nfs/dbraw/zinc/24/05/38/784240538.db2.gz LHZFKONUENPWAB-DZGCQCFKSA-N 1 1 329.408 0.241 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001070972815 784279835 /nfs/dbraw/zinc/27/98/35/784279835.db2.gz NHUJQTNNEDJQND-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[C@H](OC)C2)CC1 ZINC001070975357 784288772 /nfs/dbraw/zinc/28/87/72/784288772.db2.gz LXUJARDMFWRSRK-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[C@H](OC)C2)CC1 ZINC001070975357 784288779 /nfs/dbraw/zinc/28/87/79/784288779.db2.gz LXUJARDMFWRSRK-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@H]2OC)CC1 ZINC001070976508 784291692 /nfs/dbraw/zinc/29/16/92/784291692.db2.gz GLEHHPVPZCRGFO-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@H]2OC)CC1 ZINC001070976508 784291699 /nfs/dbraw/zinc/29/16/99/784291699.db2.gz GLEHHPVPZCRGFO-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001070976607 784292705 /nfs/dbraw/zinc/29/27/05/784292705.db2.gz JZDGSBMLKYACNI-INIZCTEOSA-N 1 1 349.479 0.281 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 ZINC001070991254 784340045 /nfs/dbraw/zinc/34/00/45/784340045.db2.gz JVZXJBHNATZTMC-MRXNPFEDSA-N 1 1 349.479 0.282 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC(=O)NCC[N@@H+](CCC)CC2)nn1 ZINC001071007447 784392048 /nfs/dbraw/zinc/39/20/48/784392048.db2.gz NTUPKBSCRRRYSH-UHFFFAOYSA-N 1 1 348.451 0.528 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC(=O)NCC[N@H+](CCC)CC2)nn1 ZINC001071007447 784392059 /nfs/dbraw/zinc/39/20/59/784392059.db2.gz NTUPKBSCRRRYSH-UHFFFAOYSA-N 1 1 348.451 0.528 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC001071007639 784393523 /nfs/dbraw/zinc/39/35/23/784393523.db2.gz SYRXPEXLZCLTHD-UHFFFAOYSA-N 1 1 333.436 0.948 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C2=CCOCC2)n1 ZINC001070596752 784407619 /nfs/dbraw/zinc/40/76/19/784407619.db2.gz XTYDDYMJRUMFSM-HOTGVXAUSA-N 1 1 344.415 0.891 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]n2)n1 ZINC001070598148 784410806 /nfs/dbraw/zinc/41/08/06/784410806.db2.gz OTNLQZQXPFHBST-STQMWFEESA-N 1 1 345.407 0.919 20 30 ECEDMO C#CCC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]c2)n1 ZINC001070601580 784417778 /nfs/dbraw/zinc/41/77/78/784417778.db2.gz PINHEVRAPHPTNS-LSDHHAIUSA-N 1 1 342.403 0.971 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001070630580 784462496 /nfs/dbraw/zinc/46/24/96/784462496.db2.gz WRFUBJBWYTXULQ-BPLDGKMQSA-N 1 1 341.419 0.397 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@H](C)O2 ZINC001071134132 784578393 /nfs/dbraw/zinc/57/83/93/784578393.db2.gz NDMDHOAKEDCISO-MAUKXSAKSA-N 1 1 333.432 0.324 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1c1cncn1C ZINC001070709781 784578628 /nfs/dbraw/zinc/57/86/28/784578628.db2.gz SSKSZBRMFLVQPG-CHWSQXEVSA-N 1 1 329.408 0.241 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nnc[nH]1)C[C@H](C)O2 ZINC001071152066 784613234 /nfs/dbraw/zinc/61/32/34/784613234.db2.gz RFIWFBOMLMCKRR-WMLDXEAASA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@H](C)O2 ZINC001071152066 784613239 /nfs/dbraw/zinc/61/32/39/784613239.db2.gz RFIWFBOMLMCKRR-WMLDXEAASA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@H](C)O2 ZINC001071152066 784613244 /nfs/dbraw/zinc/61/32/44/784613244.db2.gz RFIWFBOMLMCKRR-WMLDXEAASA-N 1 1 331.420 0.452 20 30 ECEDMO COCC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C#N)[nH]1)C[C@@H](C)O2 ZINC001071156003 784619591 /nfs/dbraw/zinc/61/95/91/784619591.db2.gz AFNYNZGOPOSYAW-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC1OCCCO1)C[C@H](C)O2 ZINC001071161157 784630947 /nfs/dbraw/zinc/63/09/47/784630947.db2.gz FMJGAYRHLUBCFD-YJBOKZPZSA-N 1 1 336.432 0.855 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(CC)n1)C[C@H](C)O2 ZINC001071164852 784637604 /nfs/dbraw/zinc/63/76/04/784637604.db2.gz TWDVNKKDPZVQIG-YOEHRIQHSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccccc1=O)C[C@@H](C)O2 ZINC001071171116 784652617 /nfs/dbraw/zinc/65/26/17/784652617.db2.gz ILUHJXDKOWZCGL-APWZRJJASA-N 1 1 343.427 0.563 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COc1cc(C)on1)C[C@@H](C)O2 ZINC001071175587 784664331 /nfs/dbraw/zinc/66/43/31/784664331.db2.gz HEYQLGAPIAOBPG-RHSMWYFYSA-N 1 1 333.388 0.687 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3n1CCOC3)C[C@H](C)O2 ZINC001071176236 784665074 /nfs/dbraw/zinc/66/50/74/784665074.db2.gz SVNICVFUUICNOS-KSSFIOAISA-N 1 1 346.431 0.905 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@H](C)O2 ZINC001071179975 784677567 /nfs/dbraw/zinc/67/75/67/784677567.db2.gz CWZQTZFGCNUCOC-KXBFYZLASA-N 1 1 343.427 0.714 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1COC)C[C@H](C)O2 ZINC001071180580 784679452 /nfs/dbraw/zinc/67/94/52/784679452.db2.gz POHMOXMAFYDLID-KBXCAEBGSA-N 1 1 346.431 0.505 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1COC)C[C@H](C)O2 ZINC001071180580 784679456 /nfs/dbraw/zinc/67/94/56/784679456.db2.gz POHMOXMAFYDLID-KBXCAEBGSA-N 1 1 346.431 0.505 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@@H](C)O2 ZINC001071183151 784682752 /nfs/dbraw/zinc/68/27/52/784682752.db2.gz KBXQUCQXSOWKMG-RDTXWAMCSA-N 1 1 329.400 0.324 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@@H](C)O2 ZINC001071184149 784687199 /nfs/dbraw/zinc/68/71/99/784687199.db2.gz YWUHQLUIYURGHA-DNVCBOLYSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)C[C@H](C)O2 ZINC001071185623 784689166 /nfs/dbraw/zinc/68/91/66/784689166.db2.gz JPXLAYYUTCPSJG-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)C[C@H](C)O2 ZINC001071185623 784689170 /nfs/dbraw/zinc/68/91/70/784689170.db2.gz JPXLAYYUTCPSJG-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001070807509 784702381 /nfs/dbraw/zinc/70/23/81/784702381.db2.gz YMTVJDBGVLDODQ-BZUAXINKSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cncnc1)C[C@@H](C)O2 ZINC001071193070 784706580 /nfs/dbraw/zinc/70/65/80/784706580.db2.gz WCDYZJFQUVJLRY-CRAIPNDOSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nn(C)c1C)C[C@H](C)O2 ZINC001071194011 784709780 /nfs/dbraw/zinc/70/97/80/784709780.db2.gz APXRKHJLRKHGDH-SCLBCKFNSA-N 1 1 330.432 0.976 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 ZINC001071196811 784714211 /nfs/dbraw/zinc/71/42/11/784714211.db2.gz IRXRNCSNOILQJM-CJNGLKHVSA-N 1 1 334.424 0.482 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)c(C)n[nH]c1=O)C[C@H](C)O2 ZINC001071197114 784715554 /nfs/dbraw/zinc/71/55/54/784715554.db2.gz NMXYSCPXCDRRBX-KPZWWZAWSA-N 1 1 344.415 0.738 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@@H](C)O2 ZINC001071199694 784720545 /nfs/dbraw/zinc/72/05/45/784720545.db2.gz OVIBVTGNKDXMBL-DYVFJYSZSA-N 1 1 334.420 0.920 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@H](C)O2 ZINC001071202221 784724862 /nfs/dbraw/zinc/72/48/62/784724862.db2.gz RJEBWPUDZMQJRH-GUYCJALGSA-N 1 1 332.404 0.651 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@H](C)O2 ZINC001071203585 784728156 /nfs/dbraw/zinc/72/81/56/784728156.db2.gz DWNLGNXFHQDEBG-YOEHRIQHSA-N 1 1 335.448 0.910 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccc(C)n1)C[C@H](C)O2 ZINC001071211882 784746684 /nfs/dbraw/zinc/74/66/84/784746684.db2.gz PKSYRLQLWYURHT-WMZOPIPTSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ncn(C(C)(C)C)n1)C[C@H](C)O2 ZINC001071214035 784751751 /nfs/dbraw/zinc/75/17/51/784751751.db2.gz OBUXHTISQCWKIV-KSSFIOAISA-N 1 1 345.447 0.972 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncn(C(C)(C)C)n1)C[C@H](C)O2 ZINC001071214035 784751754 /nfs/dbraw/zinc/75/17/54/784751754.db2.gz OBUXHTISQCWKIV-KSSFIOAISA-N 1 1 345.447 0.972 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CCO)C3)C2)nc1 ZINC001071231729 784795728 /nfs/dbraw/zinc/79/57/28/784795728.db2.gz UAHNVKKIXWOAJA-KBXCAEBGSA-N 1 1 329.400 0.361 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@H](C)O2 ZINC001071233522 784798167 /nfs/dbraw/zinc/79/81/67/784798167.db2.gz KDVJCQALLLHYAE-GUYCJALGSA-N 1 1 334.420 0.920 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]cnc1C)C[C@H](C)O2 ZINC001071234150 784798691 /nfs/dbraw/zinc/79/86/91/784798691.db2.gz UMQMDXQCCIRHJE-KSSFIOAISA-N 1 1 330.432 0.976 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CCC1=O)C[C@H](C)O2 ZINC001071238008 784806621 /nfs/dbraw/zinc/80/66/21/784806621.db2.gz HESPUQVXELDYRD-KBXCAEBGSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)COC)C1 ZINC001071240004 784812200 /nfs/dbraw/zinc/81/22/00/784812200.db2.gz WCFDWXDJKSDWJQ-ZACQAIPSSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)COC)C1 ZINC001071240004 784812206 /nfs/dbraw/zinc/81/22/06/784812206.db2.gz WCFDWXDJKSDWJQ-ZACQAIPSSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@@H](C)O2 ZINC001071248890 784831563 /nfs/dbraw/zinc/83/15/63/784831563.db2.gz VGDAIOSQQNUHRB-PBHICJAKSA-N 1 1 333.436 0.626 20 30 ECEDMO C#CCN1CCN([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C(=O)C1 ZINC001071271896 784904537 /nfs/dbraw/zinc/90/45/37/784904537.db2.gz AELPHKONTMKPNX-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)CC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cnon3)C2)C(=O)C1 ZINC001071275268 784913683 /nfs/dbraw/zinc/91/36/83/784913683.db2.gz ARWSEJWCLILLDQ-AWEZNQCLSA-N 1 1 347.419 0.785 20 30 ECEDMO C=C(C)CC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cnon3)C2)C(=O)C1 ZINC001071275268 784913687 /nfs/dbraw/zinc/91/36/87/784913687.db2.gz ARWSEJWCLILLDQ-AWEZNQCLSA-N 1 1 347.419 0.785 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 ZINC001071275473 784915322 /nfs/dbraw/zinc/91/53/22/784915322.db2.gz HNARMAVNVOCTBH-ZDUSSCGKSA-N 1 1 332.408 0.130 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 ZINC001071275473 784915327 /nfs/dbraw/zinc/91/53/27/784915327.db2.gz HNARMAVNVOCTBH-ZDUSSCGKSA-N 1 1 332.408 0.130 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C(=O)C1 ZINC001071277525 784925083 /nfs/dbraw/zinc/92/50/83/784925083.db2.gz XMCPBBIBOFVQJA-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001068757323 791079328 /nfs/dbraw/zinc/07/93/28/791079328.db2.gz RQBQFRBHDNPUJU-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@H](NC(=O)C(N)=O)CC[C@H]2C)cc1C#N ZINC001071779103 785092710 /nfs/dbraw/zinc/09/27/10/785092710.db2.gz FIKIBGPJRJQEPM-BXUZGUMPSA-N 1 1 330.388 0.521 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@H](NC(=O)C(N)=O)CC[C@H]2C)cc1C#N ZINC001071779103 785092722 /nfs/dbraw/zinc/09/27/22/785092722.db2.gz FIKIBGPJRJQEPM-BXUZGUMPSA-N 1 1 330.388 0.521 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)N(C)C)C2)c1 ZINC001071813715 785144961 /nfs/dbraw/zinc/14/49/61/785144961.db2.gz DQTQVGKQAOGIGY-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)N(C)C)C2)c1 ZINC001071813715 785144965 /nfs/dbraw/zinc/14/49/65/785144965.db2.gz DQTQVGKQAOGIGY-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001071874531 785252787 /nfs/dbraw/zinc/25/27/87/785252787.db2.gz KZHQDOWRPACPSO-DOMZBBRYSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001071879470 785262450 /nfs/dbraw/zinc/26/24/50/785262450.db2.gz DDOKTEIYESJVNO-ZFWWWQNUSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001071879470 785262457 /nfs/dbraw/zinc/26/24/57/785262457.db2.gz DDOKTEIYESJVNO-ZFWWWQNUSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001071879939 785263289 /nfs/dbraw/zinc/26/32/89/785263289.db2.gz MNZQCAAVWBYXGW-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001071879939 785263294 /nfs/dbraw/zinc/26/32/94/785263294.db2.gz MNZQCAAVWBYXGW-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@@H]1C ZINC001071891098 785278179 /nfs/dbraw/zinc/27/81/79/785278179.db2.gz WXDUYFSYUFNLAI-LSDHHAIUSA-N 1 1 348.451 0.724 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@H]1C ZINC001071890580 785278546 /nfs/dbraw/zinc/27/85/46/785278546.db2.gz OHBYCMRVFNIBNW-KGLIPLIRSA-N 1 1 334.424 0.334 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071660899 785469343 /nfs/dbraw/zinc/46/93/43/785469343.db2.gz CPLLNRYQLLAANR-CHWSQXEVSA-N 1 1 326.466 0.548 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001072000832 785506348 /nfs/dbraw/zinc/50/63/48/785506348.db2.gz XQIXEUGMVYFPEE-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)CC[C@H]1C ZINC001072030458 785552284 /nfs/dbraw/zinc/55/22/84/785552284.db2.gz PTDOXIYMDINZSX-VXGBXAGGSA-N 1 1 325.372 0.946 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)CC[C@H]1C ZINC001072030458 785552290 /nfs/dbraw/zinc/55/22/90/785552290.db2.gz PTDOXIYMDINZSX-VXGBXAGGSA-N 1 1 325.372 0.946 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001072048213 785572076 /nfs/dbraw/zinc/57/20/76/785572076.db2.gz JGCSNRVNCNDQTD-GOEBONIOSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001072135491 785725808 /nfs/dbraw/zinc/72/58/08/785725808.db2.gz JYHOXNDGWKHPLO-DZGCQCFKSA-N 1 1 332.404 0.195 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001072336788 786041966 /nfs/dbraw/zinc/04/19/66/786041966.db2.gz NRDOOBDNVOSJSG-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSCC#N)C1 ZINC001072355698 786071216 /nfs/dbraw/zinc/07/12/16/786071216.db2.gz ZEVJQBHTCUKSIS-OLZOCXBDSA-N 1 1 340.493 0.937 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C2)nc1 ZINC001072465485 786223273 /nfs/dbraw/zinc/22/32/73/786223273.db2.gz VWGBRTBHDQFJCW-WMLDXEAASA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C)nc1 ZINC001072479578 786248422 /nfs/dbraw/zinc/24/84/22/786248422.db2.gz YZBFDPVQBNLAGI-RHSMWYFYSA-N 1 1 342.443 0.981 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072479389 786248610 /nfs/dbraw/zinc/24/86/10/786248610.db2.gz WOTNFJSNHSHLFG-CHWSQXEVSA-N 1 1 326.466 0.548 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001072481274 786255034 /nfs/dbraw/zinc/25/50/34/786255034.db2.gz OAIKABPSHGHVCD-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001074211725 786445343 /nfs/dbraw/zinc/44/53/43/786445343.db2.gz DFWHJLHFWYCGJM-UONOGXRCSA-N 1 1 335.408 0.252 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001074211725 786445350 /nfs/dbraw/zinc/44/53/50/786445350.db2.gz DFWHJLHFWYCGJM-UONOGXRCSA-N 1 1 335.408 0.252 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@@H]21 ZINC001074226989 786466680 /nfs/dbraw/zinc/46/66/80/786466680.db2.gz ZWOAZGKZEXKZOS-UONOGXRCSA-N 1 1 335.404 0.860 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@@H]21 ZINC001074226989 786466683 /nfs/dbraw/zinc/46/66/83/786466683.db2.gz ZWOAZGKZEXKZOS-UONOGXRCSA-N 1 1 335.404 0.860 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSCC#N)C[C@H]1C ZINC001074240058 786485455 /nfs/dbraw/zinc/48/54/55/786485455.db2.gz OFXYFTPQCJABOH-ZIAGYGMSSA-N 1 1 340.493 0.938 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSCC#N)C[C@@H]1C ZINC001074240057 786485615 /nfs/dbraw/zinc/48/56/15/786485615.db2.gz OFXYFTPQCJABOH-UONOGXRCSA-N 1 1 340.493 0.938 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 ZINC001074268206 786551014 /nfs/dbraw/zinc/55/10/14/786551014.db2.gz GMMGVAZHQXKBAP-CVEARBPZSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 ZINC001074268206 786551021 /nfs/dbraw/zinc/55/10/21/786551021.db2.gz GMMGVAZHQXKBAP-CVEARBPZSA-N 1 1 346.431 0.662 20 30 ECEDMO C=CCCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2CC1 ZINC001074302963 786636392 /nfs/dbraw/zinc/63/63/92/786636392.db2.gz AARNYUQJVQIJBB-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2CC1 ZINC001074302963 786636400 /nfs/dbraw/zinc/63/64/00/786636400.db2.gz AARNYUQJVQIJBB-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2CC1 ZINC001074309097 786644861 /nfs/dbraw/zinc/64/48/61/786644861.db2.gz XTOMUUNLFNLUNX-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@@H]21 ZINC001074321453 786670017 /nfs/dbraw/zinc/67/00/17/786670017.db2.gz KIFJIBAIWAQMHB-GJZGRUSLSA-N 1 1 347.415 0.799 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@@H]21 ZINC001074321453 786670021 /nfs/dbraw/zinc/67/00/21/786670021.db2.gz KIFJIBAIWAQMHB-GJZGRUSLSA-N 1 1 347.415 0.799 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC001073601986 786750120 /nfs/dbraw/zinc/75/01/20/786750120.db2.gz PLTVZYVGJRGYLO-RDJZCZTQSA-N 1 1 348.491 0.505 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnn2CC(F)F)C1 ZINC001073603924 786755008 /nfs/dbraw/zinc/75/50/08/786755008.db2.gz RXMZAIXOCZXNLL-ZDUSSCGKSA-N 1 1 340.374 0.992 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001073605844 786759968 /nfs/dbraw/zinc/75/99/68/786759968.db2.gz WLJXCAVHPZEMNB-ZDUSSCGKSA-N 1 1 336.440 0.825 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001073615585 786775126 /nfs/dbraw/zinc/77/51/26/786775126.db2.gz LTQHFNSMVKRRIG-CYBMUJFWSA-N 1 1 330.392 0.521 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001073620626 786786053 /nfs/dbraw/zinc/78/60/53/786786053.db2.gz JZCDQMJRBZHLSB-CQSZACIVSA-N 1 1 330.450 0.204 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc(C)nc2OC)C1 ZINC001073629433 786809218 /nfs/dbraw/zinc/80/92/18/786809218.db2.gz BQVHITWXVOPORU-AWEZNQCLSA-N 1 1 332.404 0.638 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(C)nc2OC)C1 ZINC001073629433 786809226 /nfs/dbraw/zinc/80/92/26/786809226.db2.gz BQVHITWXVOPORU-AWEZNQCLSA-N 1 1 332.404 0.638 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001073629981 786813194 /nfs/dbraw/zinc/81/31/94/786813194.db2.gz KFNFUNCFCBIVTE-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001073636794 786834843 /nfs/dbraw/zinc/83/48/43/786834843.db2.gz HUIAJWSLCPAOIQ-GOEBONIOSA-N 1 1 346.431 0.383 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001073636794 786834854 /nfs/dbraw/zinc/83/48/54/786834854.db2.gz HUIAJWSLCPAOIQ-GOEBONIOSA-N 1 1 346.431 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccon2)CCCO1 ZINC001073639095 786841412 /nfs/dbraw/zinc/84/14/12/786841412.db2.gz AWSGLDIARWMJHC-IRXDYDNUSA-N 1 1 346.431 0.479 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccon2)CCCO1 ZINC001073639095 786841423 /nfs/dbraw/zinc/84/14/23/786841423.db2.gz AWSGLDIARWMJHC-IRXDYDNUSA-N 1 1 346.431 0.479 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc3ncn(C)c32)C1 ZINC001073645795 786861701 /nfs/dbraw/zinc/86/17/01/786861701.db2.gz YJGVURVCGVYTJF-AWEZNQCLSA-N 1 1 341.415 0.812 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001074403200 786869943 /nfs/dbraw/zinc/86/99/43/786869943.db2.gz RWQNQGVSQMHZKF-KGLIPLIRSA-N 1 1 335.404 0.013 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001074403200 786869954 /nfs/dbraw/zinc/86/99/54/786869954.db2.gz RWQNQGVSQMHZKF-KGLIPLIRSA-N 1 1 335.404 0.013 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2sccc2-n2ccnn2)C1 ZINC001073652368 786878036 /nfs/dbraw/zinc/87/80/36/786878036.db2.gz XLUJGNGGFVVUAS-ZDUSSCGKSA-N 1 1 345.428 0.783 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2sccc2-n2ccnn2)C1 ZINC001073652368 786878045 /nfs/dbraw/zinc/87/80/45/786878045.db2.gz XLUJGNGGFVVUAS-ZDUSSCGKSA-N 1 1 345.428 0.783 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001073660530 786902544 /nfs/dbraw/zinc/90/25/44/786902544.db2.gz HIMMYTHNMVVMCD-AWEZNQCLSA-N 1 1 332.404 0.257 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001073660530 786902550 /nfs/dbraw/zinc/90/25/50/786902550.db2.gz HIMMYTHNMVVMCD-AWEZNQCLSA-N 1 1 332.404 0.257 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001073663018 786907137 /nfs/dbraw/zinc/90/71/37/786907137.db2.gz UCJLSDDMXXBMLM-GFCCVEGCSA-N 1 1 336.392 0.501 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCn3nccc32)C1 ZINC001073667663 786919651 /nfs/dbraw/zinc/91/96/51/786919651.db2.gz LPPFKCDYPWKTFQ-HOTGVXAUSA-N 1 1 330.432 0.991 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001073684351 786967107 /nfs/dbraw/zinc/96/71/07/786967107.db2.gz OOXZYRJAHSNPGR-CABCVRRESA-N 1 1 344.477 0.594 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001073687261 786970289 /nfs/dbraw/zinc/97/02/89/786970289.db2.gz NPFKRVAQKTYXPF-HUUCEWRRSA-N 1 1 336.436 0.008 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001073697230 786992037 /nfs/dbraw/zinc/99/20/37/786992037.db2.gz CBGPINABQNDEKZ-CYBMUJFWSA-N 1 1 333.388 0.228 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001073703111 787006343 /nfs/dbraw/zinc/00/63/43/787006343.db2.gz FPJOCRUKXIVNRW-GFCCVEGCSA-N 1 1 345.428 0.987 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001073703111 787006359 /nfs/dbraw/zinc/00/63/59/787006359.db2.gz FPJOCRUKXIVNRW-GFCCVEGCSA-N 1 1 345.428 0.987 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001073703079 787007531 /nfs/dbraw/zinc/00/75/31/787007531.db2.gz DOUZVXRYJVGTMO-HUUCEWRRSA-N 1 1 331.420 0.071 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001073703079 787007542 /nfs/dbraw/zinc/00/75/42/787007542.db2.gz DOUZVXRYJVGTMO-HUUCEWRRSA-N 1 1 331.420 0.071 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001073716339 787039375 /nfs/dbraw/zinc/03/93/75/787039375.db2.gz AIFDGGREGNWWTI-OAHLLOKOSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001073716339 787039381 /nfs/dbraw/zinc/03/93/81/787039381.db2.gz AIFDGGREGNWWTI-OAHLLOKOSA-N 1 1 340.387 0.116 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001073745714 787109897 /nfs/dbraw/zinc/10/98/97/787109897.db2.gz GJZDLVXRCUWNIR-HUUCEWRRSA-N 1 1 345.447 0.150 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001073745963 787111679 /nfs/dbraw/zinc/11/16/79/787111679.db2.gz LUTXBRJEOPXFJA-GJZGRUSLSA-N 1 1 330.432 0.680 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001073745963 787111686 /nfs/dbraw/zinc/11/16/86/787111686.db2.gz LUTXBRJEOPXFJA-GJZGRUSLSA-N 1 1 330.432 0.680 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)C#CC(C)(C)C)CC1 ZINC001074518662 787155185 /nfs/dbraw/zinc/15/51/85/787155185.db2.gz PRIXJZSFCQDVNC-OAHLLOKOSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001073779045 787189341 /nfs/dbraw/zinc/18/93/41/787189341.db2.gz OYVSXQCCAUYHIH-HUUCEWRRSA-N 1 1 348.451 0.409 20 30 ECEDMO C#CCCCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001074555253 787248601 /nfs/dbraw/zinc/24/86/01/787248601.db2.gz SBIDDLQQDKFDDM-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001073815518 787250792 /nfs/dbraw/zinc/25/07/92/787250792.db2.gz CSHPRUUAFWBXIU-ZDUSSCGKSA-N 1 1 331.376 0.442 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001073821293 787266781 /nfs/dbraw/zinc/26/67/81/787266781.db2.gz FUXHTVMORAFCJU-HNNXBMFYSA-N 1 1 335.404 0.922 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3cccc(OC)c23)C1 ZINC001073821511 787267543 /nfs/dbraw/zinc/26/75/43/787267543.db2.gz LMKDDFBYGYXMJS-AWEZNQCLSA-N 1 1 342.399 0.797 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3cccc(OC)c23)C1 ZINC001073821511 787267550 /nfs/dbraw/zinc/26/75/50/787267550.db2.gz LMKDDFBYGYXMJS-AWEZNQCLSA-N 1 1 342.399 0.797 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CCN(C(=O)C#CC(C)(C)C)CC2)C1 ZINC001074583537 787325572 /nfs/dbraw/zinc/32/55/72/787325572.db2.gz IQMLDZLCPLKQJW-HNNXBMFYSA-N 1 1 349.475 0.457 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(O)(CNC(=O)C#CC(C)C)CC1 ZINC001074594391 787355731 /nfs/dbraw/zinc/35/57/31/787355731.db2.gz XUPOKHHPFSYDLK-UHFFFAOYSA-N 1 1 346.431 0.321 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001073854163 787369618 /nfs/dbraw/zinc/36/96/18/787369618.db2.gz YEZGPMWBSNJRMV-CABCVRRESA-N 1 1 336.436 0.150 20 30 ECEDMO C=C(C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074609703 787385163 /nfs/dbraw/zinc/38/51/63/787385163.db2.gz YKHZQFRHGIEZSW-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001073862522 787390777 /nfs/dbraw/zinc/39/07/77/787390777.db2.gz ULYRDSHSYKBMNU-CYBMUJFWSA-N 1 1 343.383 0.577 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001073883438 787429596 /nfs/dbraw/zinc/42/95/96/787429596.db2.gz NUZDBKUZFBDNLD-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001073883438 787429599 /nfs/dbraw/zinc/42/95/99/787429599.db2.gz NUZDBKUZFBDNLD-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001073883725 787430947 /nfs/dbraw/zinc/43/09/47/787430947.db2.gz VZHRIACJHCRNJB-CQSZACIVSA-N 1 1 334.420 0.660 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001073892181 787454342 /nfs/dbraw/zinc/45/43/42/787454342.db2.gz XSNYCWKPFKRSLE-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001073892181 787454345 /nfs/dbraw/zinc/45/43/45/787454345.db2.gz XSNYCWKPFKRSLE-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001073899619 787475454 /nfs/dbraw/zinc/47/54/54/787475454.db2.gz YRFUVHZFYGRRMO-JKSUJKDBSA-N 1 1 347.463 0.932 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3nnn(C)c32)C1 ZINC001073914520 787519190 /nfs/dbraw/zinc/51/91/90/787519190.db2.gz VOMMMLFHZGELHC-CYBMUJFWSA-N 1 1 329.404 0.975 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)C#CC2CC2)[C@H](C)C1 ZINC001073951732 787572216 /nfs/dbraw/zinc/57/22/16/787572216.db2.gz NZJHQIMKKXXVAK-CJNGLKHVSA-N 1 1 328.416 0.958 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001073962766 787592965 /nfs/dbraw/zinc/59/29/65/787592965.db2.gz JNMGJGSFCNBHBU-GOEBONIOSA-N 1 1 346.431 0.585 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074728626 787710249 /nfs/dbraw/zinc/71/02/49/787710249.db2.gz RQZMDZVGDSTBSZ-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001074730980 787718782 /nfs/dbraw/zinc/71/87/82/787718782.db2.gz CGXVPCDVKGHGPJ-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001074062202 787792691 /nfs/dbraw/zinc/79/26/91/787792691.db2.gz CDMCWXZUOORXSP-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1CCn2c(nnc2C2CCN(C(=O)[C@H](C)OC)CC2)C1 ZINC001074108604 787894898 /nfs/dbraw/zinc/89/48/98/787894898.db2.gz WYPLVXJQLJIQMM-AWEZNQCLSA-N 1 1 345.447 0.858 20 30 ECEDMO C#CCC[N@H+]1CCn2c(nnc2C2CCN(C(=O)[C@H](C)OC)CC2)C1 ZINC001074108604 787894912 /nfs/dbraw/zinc/89/49/12/787894912.db2.gz WYPLVXJQLJIQMM-AWEZNQCLSA-N 1 1 345.447 0.858 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 ZINC001074169635 787979902 /nfs/dbraw/zinc/97/99/02/787979902.db2.gz AMASCXJJKPPLGW-HZPDHXFCSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 ZINC001074169635 787979907 /nfs/dbraw/zinc/97/99/07/787979907.db2.gz AMASCXJJKPPLGW-HZPDHXFCSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 ZINC001074194196 788022212 /nfs/dbraw/zinc/02/22/12/788022212.db2.gz GUZVUJOCTHBALZ-KGLIPLIRSA-N 1 1 331.420 0.940 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 ZINC001074194196 788022222 /nfs/dbraw/zinc/02/22/22/788022222.db2.gz GUZVUJOCTHBALZ-KGLIPLIRSA-N 1 1 331.420 0.940 20 30 ECEDMO O=C(C[N@@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1)NC1CCOCC1 ZINC001072716224 788641818 /nfs/dbraw/zinc/64/18/18/788641818.db2.gz KFUQRLWZYCMCGQ-UHFFFAOYSA-N 1 1 345.443 0.229 20 30 ECEDMO O=C(C[N@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1)NC1CCOCC1 ZINC001072716224 788641823 /nfs/dbraw/zinc/64/18/23/788641823.db2.gz KFUQRLWZYCMCGQ-UHFFFAOYSA-N 1 1 345.443 0.229 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001072721174 788647991 /nfs/dbraw/zinc/64/79/91/788647991.db2.gz HLNYRMGAQILGPS-INIZCTEOSA-N 1 1 329.444 0.850 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001072737670 788675124 /nfs/dbraw/zinc/67/51/24/788675124.db2.gz WLFNBRCLVUFFOF-DOMZBBRYSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCCOCC(=O)N[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001072739799 788680566 /nfs/dbraw/zinc/68/05/66/788680566.db2.gz QUNSRVKCHRDORL-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C2)C1 ZINC001072771232 788761256 /nfs/dbraw/zinc/76/12/56/788761256.db2.gz LRLOBYIVIZIUTN-MRXNPFEDSA-N 1 1 329.444 0.803 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)Cn3nnc(-c4ccco4)n3)C2)C1 ZINC001072886137 789025234 /nfs/dbraw/zinc/02/52/34/789025234.db2.gz HRNGDKRDARAFDG-UHFFFAOYSA-N 1 1 340.387 0.491 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)Cn3nnc(-c4ccco4)n3)C2)C1 ZINC001072886414 789026245 /nfs/dbraw/zinc/02/62/45/789026245.db2.gz QTLXMJQKFZMYAT-UHFFFAOYSA-N 1 1 326.360 0.101 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075253568 789123144 /nfs/dbraw/zinc/12/31/44/789123144.db2.gz CQSAUGMXBLNBRI-YPMHNXCESA-N 1 1 342.407 0.298 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4conc4C)C3)C2)C1=O ZINC001072938779 789141545 /nfs/dbraw/zinc/14/15/45/789141545.db2.gz KQUOTXSDOHIKKF-OAHLLOKOSA-N 1 1 344.415 0.918 20 30 ECEDMO C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001075395362 789321806 /nfs/dbraw/zinc/32/18/06/789321806.db2.gz OYGAGYCGXSLBFX-RDJZCZTQSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001075395362 789321816 /nfs/dbraw/zinc/32/18/16/789321816.db2.gz OYGAGYCGXSLBFX-RDJZCZTQSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CN=NC3=O)CC2)CC1 ZINC001075449826 789375608 /nfs/dbraw/zinc/37/56/08/789375608.db2.gz SPFJAKWDLBZFES-HNNXBMFYSA-N 1 1 345.447 0.958 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4oncc4C)C3)C2)C1=O ZINC001073100406 789441254 /nfs/dbraw/zinc/44/12/54/789441254.db2.gz RJCQNVATGYEJAH-CQSZACIVSA-N 1 1 344.415 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H](C)COC)CC1 ZINC001073122238 789477131 /nfs/dbraw/zinc/47/71/31/789477131.db2.gz ZWILOVIGTKCKLP-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H](C)COC)CC1 ZINC001073122238 789477136 /nfs/dbraw/zinc/47/71/36/789477136.db2.gz ZWILOVIGTKCKLP-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H](O)C(C)C)CC1 ZINC001073121691 789477300 /nfs/dbraw/zinc/47/73/00/789477300.db2.gz IBERIICCBRAKQQ-JKSUJKDBSA-N 1 1 349.475 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H](O)C(C)C)CC1 ZINC001073121691 789477303 /nfs/dbraw/zinc/47/73/03/789477303.db2.gz IBERIICCBRAKQQ-JKSUJKDBSA-N 1 1 349.475 0.598 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001073177044 789571110 /nfs/dbraw/zinc/57/11/10/789571110.db2.gz FRNHGXQTHZDJQN-UHFFFAOYSA-N 1 1 337.464 0.865 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC001075658534 789624345 /nfs/dbraw/zinc/62/43/45/789624345.db2.gz GVWSDXCXQKFEJQ-NUEKZKHPSA-N 1 1 341.415 0.653 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001073229140 789635013 /nfs/dbraw/zinc/63/50/13/789635013.db2.gz QWQXYZWAZWUYJH-AWEZNQCLSA-N 1 1 336.436 0.366 20 30 ECEDMO C[C@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001069199518 789652213 /nfs/dbraw/zinc/65/22/13/789652213.db2.gz HHAZCBVWFPGMQO-UONOGXRCSA-N 1 1 342.447 0.903 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)Cn4cncn4)C3)C2)c1 ZINC001073408573 789797729 /nfs/dbraw/zinc/79/77/29/789797729.db2.gz ZIQRNCGRICFROJ-UHFFFAOYSA-N 1 1 336.399 0.884 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccc(=O)n(CCC)n3)C2)C1 ZINC001073418138 789811076 /nfs/dbraw/zinc/81/10/76/789811076.db2.gz OQYSVEULJLNNJT-UHFFFAOYSA-N 1 1 328.416 0.825 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3ccc(C#N)cn3)C(C)(C)C2)C1 ZINC001069545259 789890011 /nfs/dbraw/zinc/89/00/11/789890011.db2.gz HMFQOGWIWBTKIV-HUUCEWRRSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3ccc(C#N)cn3)C(C)(C)C2)C1 ZINC001069545259 789890015 /nfs/dbraw/zinc/89/00/15/789890015.db2.gz HMFQOGWIWBTKIV-HUUCEWRRSA-N 1 1 343.431 0.933 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccnc(-n4cncn4)c3)C2)C1 ZINC001073485816 789890931 /nfs/dbraw/zinc/89/09/31/789890931.db2.gz BVFKPXRKLVRBQI-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3nccnc3C#N)C(C)(C)C2)C1 ZINC001069552562 789894982 /nfs/dbraw/zinc/89/49/82/789894982.db2.gz BPKYWDNOHFUMTR-KGLIPLIRSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3nccnc3C#N)C(C)(C)C2)C1 ZINC001069552562 789894989 /nfs/dbraw/zinc/89/49/89/789894989.db2.gz BPKYWDNOHFUMTR-KGLIPLIRSA-N 1 1 344.419 0.328 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001069732131 789993713 /nfs/dbraw/zinc/99/37/13/789993713.db2.gz FYRACDARDVGLQA-APWZRJJASA-N 1 1 349.475 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(Nc2ccncc2C#N)C1 ZINC001069802027 790041983 /nfs/dbraw/zinc/04/19/83/790041983.db2.gz MPNPFKFJUMVBEJ-HTWSVDAQSA-N 1 1 337.427 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(Nc2ccncc2C#N)C1 ZINC001069802027 790041989 /nfs/dbraw/zinc/04/19/89/790041989.db2.gz MPNPFKFJUMVBEJ-HTWSVDAQSA-N 1 1 337.427 0.874 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001069820172 790054760 /nfs/dbraw/zinc/05/47/60/790054760.db2.gz AOAJOQPUDAPKIO-AWEZNQCLSA-N 1 1 326.404 0.553 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cccs2)[C@@H](n2ccnn2)C1 ZINC001069890211 790159652 /nfs/dbraw/zinc/15/96/52/790159652.db2.gz KAEMBDNXLZPWIC-CABCVRRESA-N 1 1 329.429 0.947 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069908488 790176928 /nfs/dbraw/zinc/17/69/28/790176928.db2.gz ZQLZJQRLQIUJAJ-KGLIPLIRSA-N 1 1 326.360 0.057 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069929929 790202566 /nfs/dbraw/zinc/20/25/66/790202566.db2.gz UKPATQDIWFIUIR-HIFRSBDPSA-N 1 1 341.419 0.652 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069929929 790202572 /nfs/dbraw/zinc/20/25/72/790202572.db2.gz UKPATQDIWFIUIR-HIFRSBDPSA-N 1 1 341.419 0.652 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069941825 790217362 /nfs/dbraw/zinc/21/73/62/790217362.db2.gz ALQQUBFVZFRNDT-IKGGRYGDSA-N 1 1 344.463 0.517 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001069945139 790222969 /nfs/dbraw/zinc/22/29/69/790222969.db2.gz FUMIDVKYIWKPFF-CABCVRRESA-N 1 1 330.392 0.735 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001069945139 790222973 /nfs/dbraw/zinc/22/29/73/790222973.db2.gz FUMIDVKYIWKPFF-CABCVRRESA-N 1 1 330.392 0.735 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068839741 791236863 /nfs/dbraw/zinc/23/68/63/791236863.db2.gz SJIJRVSYDYCELC-LSDHHAIUSA-N 1 1 333.432 0.228 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068858582 791277993 /nfs/dbraw/zinc/27/79/93/791277993.db2.gz HJLCVJWBHLSMNK-JKSUJKDBSA-N 1 1 347.459 0.474 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001068863214 791294160 /nfs/dbraw/zinc/29/41/60/791294160.db2.gz RHKVPIORSXKNBE-OAHLLOKOSA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)CO2 ZINC001068917675 791416869 /nfs/dbraw/zinc/41/68/69/791416869.db2.gz ZIAKRRGNFSDAAT-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)C[C@H]1C ZINC001069107115 791706730 /nfs/dbraw/zinc/70/67/30/791706730.db2.gz LIBWYLDHCIJBNB-RISCZKNCSA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001066675585 791968634 /nfs/dbraw/zinc/96/86/34/791968634.db2.gz NLCAEYFRKZZIMO-YOEHRIQHSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2nccnc2C#N)CC1 ZINC001066728782 792054063 /nfs/dbraw/zinc/05/40/63/792054063.db2.gz GDHLFXMBHZMIIS-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)CC1 ZINC001066729980 792055851 /nfs/dbraw/zinc/05/58/51/792055851.db2.gz QBHLYPVYOSIPDX-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066736369 792069719 /nfs/dbraw/zinc/06/97/19/792069719.db2.gz LRKJWYOOEUWWRU-KBPBESRZSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066736369 792069730 /nfs/dbraw/zinc/06/97/30/792069730.db2.gz LRKJWYOOEUWWRU-KBPBESRZSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066750411 792097203 /nfs/dbraw/zinc/09/72/03/792097203.db2.gz PUTYURRHWFPPHP-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001067723636 792189828 /nfs/dbraw/zinc/18/98/28/792189828.db2.gz PRPMXVHOVVCSCR-GFCCVEGCSA-N 1 1 335.408 0.816 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(Nc2nccnc2C#N)C1 ZINC001066890919 792292315 /nfs/dbraw/zinc/29/23/15/792292315.db2.gz RZKJYIBSZTWKJT-RHSMWYFYSA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(Nc3ccc(C#N)cn3)C2)C1 ZINC001066906300 792340749 /nfs/dbraw/zinc/34/07/49/792340749.db2.gz PUCXKHBELJDJJD-QAPCUYQASA-N 1 1 343.431 0.670 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(Nc3cnc(C#N)cn3)C2)C1 ZINC001066906345 792340984 /nfs/dbraw/zinc/34/09/84/792340984.db2.gz QWXUBCVARYIWEV-DYVFJYSZSA-N 1 1 344.419 0.065 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(Nc3ccc(C#N)nc3)C2)C1 ZINC001066906712 792344155 /nfs/dbraw/zinc/34/41/55/792344155.db2.gz ZTLAHVIWIGWOME-KDOFPFPSSA-N 1 1 343.431 0.670 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CC(CNc2ccc(C#N)nn2)C1 ZINC001067853021 792373204 /nfs/dbraw/zinc/37/32/04/792373204.db2.gz WFYFHTJFBMYMKC-UHFFFAOYSA-N 1 1 325.376 0.860 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001067009228 792564621 /nfs/dbraw/zinc/56/46/21/792564621.db2.gz MPEQEKUXVKNDNW-YOEHRIQHSA-N 1 1 325.453 0.715 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)CC2(C)C)C1 ZINC001068102470 792675120 /nfs/dbraw/zinc/67/51/20/792675120.db2.gz QBHGJHQEQUUSST-HUUCEWRRSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)CC2(C)C)C1 ZINC001068102470 792675126 /nfs/dbraw/zinc/67/51/26/792675126.db2.gz QBHGJHQEQUUSST-HUUCEWRRSA-N 1 1 343.431 0.615 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001067081409 792679168 /nfs/dbraw/zinc/67/91/68/792679168.db2.gz NLOCCVBFOVEKDT-HUUCEWRRSA-N 1 1 341.452 0.215 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001067081409 792679172 /nfs/dbraw/zinc/67/91/72/792679172.db2.gz NLOCCVBFOVEKDT-HUUCEWRRSA-N 1 1 341.452 0.215 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H](Nc2cncc(C#N)n2)C1 ZINC001067109174 792706406 /nfs/dbraw/zinc/70/64/06/792706406.db2.gz QSYGXDKETNQAEK-SMDDNHRTSA-N 1 1 325.376 0.812 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001068157975 792758033 /nfs/dbraw/zinc/75/80/33/792758033.db2.gz OQPSSCKXRVYHQB-FQUUOJAGSA-N 1 1 326.404 0.241 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001068357316 793119855 /nfs/dbraw/zinc/11/98/55/793119855.db2.gz XAGMOFAIKBGJRF-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001067425505 793137809 /nfs/dbraw/zinc/13/78/09/793137809.db2.gz RLJVXBVCUJCBMB-INIZCTEOSA-N 1 1 337.464 0.675 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001067431586 793149030 /nfs/dbraw/zinc/14/90/30/793149030.db2.gz SRVNZQOCCNEFEK-HOTGVXAUSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001067431604 793149552 /nfs/dbraw/zinc/14/95/52/793149552.db2.gz SWGMACQTOHCQLI-HNNXBMFYSA-N 1 1 325.453 0.672 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001068389454 793183641 /nfs/dbraw/zinc/18/36/41/793183641.db2.gz HKVSSKDJMKVFFG-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)CCCC)C2)C1 ZINC001068408437 793248635 /nfs/dbraw/zinc/24/86/35/793248635.db2.gz BEPUCZFYWSSSMC-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)CCCC)C2)C1 ZINC001068408437 793248640 /nfs/dbraw/zinc/24/86/40/793248640.db2.gz BEPUCZFYWSSSMC-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001068461249 793351848 /nfs/dbraw/zinc/35/18/48/793351848.db2.gz LYPBZJKYGLCFHZ-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@H]1CC[C@H](F)C1)CC(=O)NCC#N ZINC001267508523 837595462 /nfs/dbraw/zinc/59/54/62/837595462.db2.gz XPNMMCGQOCBIBJ-KBPBESRZSA-N 1 1 326.416 0.981 20 30 ECEDMO CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCc2nnnn2CC1)C(C)C ZINC001267508330 837595534 /nfs/dbraw/zinc/59/55/34/837595534.db2.gz AAXIHMVRTJWXDN-OAHLLOKOSA-N 1 1 332.452 0.866 20 30 ECEDMO C=CCOCC(=O)NCC[C@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001267507649 837596660 /nfs/dbraw/zinc/59/66/60/837596660.db2.gz DYKMPURJQSPSBW-LSDHHAIUSA-N 1 1 333.436 0.796 20 30 ECEDMO Cc1cccnc1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267513735 837606272 /nfs/dbraw/zinc/60/62/72/837606272.db2.gz NSLQJOJQCBADHB-AWEZNQCLSA-N 1 1 329.404 0.472 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](CNC(=O)C(N)=O)c1ccc(C(C)C)cc1 ZINC001267517136 837611155 /nfs/dbraw/zinc/61/11/55/837611155.db2.gz JBDRBYOQANMMOQ-HNNXBMFYSA-N 1 1 346.431 0.344 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2nnc(C)o2)C1 ZINC001267524684 837687203 /nfs/dbraw/zinc/68/72/03/837687203.db2.gz VOASIEYAIPQJMW-JSGCOSHPSA-N 1 1 349.435 0.439 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001267541747 837728871 /nfs/dbraw/zinc/72/88/71/837728871.db2.gz HWSNCCUPPSSJMH-ZDUSSCGKSA-N 1 1 334.424 0.266 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001267543621 837731245 /nfs/dbraw/zinc/73/12/45/837731245.db2.gz FTFIXIBEZUIBNL-GFCCVEGCSA-N 1 1 341.433 0.945 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CCNC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001267544103 837731962 /nfs/dbraw/zinc/73/19/62/837731962.db2.gz IXURBUHPWWZQCT-AWEZNQCLSA-N 1 1 328.416 0.575 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001267550656 837751736 /nfs/dbraw/zinc/75/17/36/837751736.db2.gz CBTYACFHUVRMOK-QWHCGFSZSA-N 1 1 347.419 0.315 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ncccc2C)C1 ZINC001267553659 837759316 /nfs/dbraw/zinc/75/93/16/837759316.db2.gz KVVYZNKKNBRKFE-HOTGVXAUSA-N 1 1 342.443 0.970 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001267559631 837769232 /nfs/dbraw/zinc/76/92/32/837769232.db2.gz YQTUGEWTTWAWIV-ZDUSSCGKSA-N 1 1 342.403 0.445 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001267562449 837776308 /nfs/dbraw/zinc/77/63/08/837776308.db2.gz VRWYBJJXYYBZDZ-HOTGVXAUSA-N 1 1 337.464 0.934 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H]2CC[N@H+](CC(=O)NCC)C2)c1 ZINC001267564761 837780612 /nfs/dbraw/zinc/78/06/12/837780612.db2.gz DZWSOUGMYRZFHT-HNNXBMFYSA-N 1 1 328.416 0.641 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccn(C)c2C)C1 ZINC001267565350 837781399 /nfs/dbraw/zinc/78/13/99/837781399.db2.gz LLJHIGJSNQZHGE-HZPDHXFCSA-N 1 1 344.459 0.913 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CCc3ncncc3C2)CC1 ZINC001267573081 837812599 /nfs/dbraw/zinc/81/25/99/837812599.db2.gz IFXQRYFGBAMDSG-INIZCTEOSA-N 1 1 341.459 0.291 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCc3ncncc3C2)CC1 ZINC001267573081 837812606 /nfs/dbraw/zinc/81/26/06/837812606.db2.gz IFXQRYFGBAMDSG-INIZCTEOSA-N 1 1 341.459 0.291 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CCC(=O)NC2)CC1 ZINC001267573633 837815533 /nfs/dbraw/zinc/81/55/33/837815533.db2.gz WHAMMHRFHUHOKF-INIZCTEOSA-N 1 1 334.464 0.002 20 30 ECEDMO CC#CCN1CC[NH+](CCN(C)C(=O)C[C@@H]2CCC(=O)NC2)CC1 ZINC001267573633 837815544 /nfs/dbraw/zinc/81/55/44/837815544.db2.gz WHAMMHRFHUHOKF-INIZCTEOSA-N 1 1 334.464 0.002 20 30 ECEDMO C=C(C)CN1CC[NH+](CCCNC(=O)c2cc(OC)ncn2)CC1 ZINC001266262752 835571926 /nfs/dbraw/zinc/57/19/26/835571926.db2.gz OCZBJZCSEKZVED-UHFFFAOYSA-N 1 1 333.436 0.799 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCNC(=O)[C@H]2CC23CCC3)CC1 ZINC001266272995 835595408 /nfs/dbraw/zinc/59/54/08/835595408.db2.gz DIROOPOFAGIQKQ-MRXNPFEDSA-N 1 1 346.475 0.050 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn(CC)nc1C1CC1 ZINC001266278936 835605793 /nfs/dbraw/zinc/60/57/93/835605793.db2.gz WWKOQEJDTADGGR-CYBMUJFWSA-N 1 1 345.447 0.580 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn(CC)nc1C1CC1 ZINC001266278936 835605798 /nfs/dbraw/zinc/60/57/98/835605798.db2.gz WWKOQEJDTADGGR-CYBMUJFWSA-N 1 1 345.447 0.580 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)CC(=O)Nc1cc(C)on1 ZINC001266284785 835618179 /nfs/dbraw/zinc/61/81/79/835618179.db2.gz KXBGIAZXMOXRCI-AWEZNQCLSA-N 1 1 347.419 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CC(=O)Nc1cc(C)on1 ZINC001266284785 835618184 /nfs/dbraw/zinc/61/81/84/835618184.db2.gz KXBGIAZXMOXRCI-AWEZNQCLSA-N 1 1 347.419 0.067 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)Cc2ccc(OC)c(OC)c2)CC1 ZINC001266297670 835648050 /nfs/dbraw/zinc/64/80/50/835648050.db2.gz RXDBQWYJXJVQTR-UHFFFAOYSA-N 1 1 345.443 0.613 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266308595 835674575 /nfs/dbraw/zinc/67/45/75/835674575.db2.gz YLXFBRTYFISKRD-CVEARBPZSA-N 1 1 334.464 0.472 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001266314934 835682031 /nfs/dbraw/zinc/68/20/31/835682031.db2.gz MQNPPCQKAOOKTG-CHWSQXEVSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001266314934 835682036 /nfs/dbraw/zinc/68/20/36/835682036.db2.gz MQNPPCQKAOOKTG-CHWSQXEVSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)COc2cc(C)on2)C1 ZINC001266324898 835701420 /nfs/dbraw/zinc/70/14/20/835701420.db2.gz GBWIAEWSJLAZLN-OLZOCXBDSA-N 1 1 336.392 0.243 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)COc2cc(C)on2)C1 ZINC001266324898 835701424 /nfs/dbraw/zinc/70/14/24/835701424.db2.gz GBWIAEWSJLAZLN-OLZOCXBDSA-N 1 1 336.392 0.243 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cnc3cccnn32)C1=O ZINC001266335338 835718052 /nfs/dbraw/zinc/71/80/52/835718052.db2.gz RPFWOODYAUDXKP-ZDUSSCGKSA-N 1 1 342.403 0.178 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cnc3cccnn32)C1=O ZINC001266335338 835718059 /nfs/dbraw/zinc/71/80/59/835718059.db2.gz RPFWOODYAUDXKP-ZDUSSCGKSA-N 1 1 342.403 0.178 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C1(NC(C)=O)CCCC1 ZINC001266337796 835721890 /nfs/dbraw/zinc/72/18/90/835721890.db2.gz QLUHSQDWHKGMKL-CYBMUJFWSA-N 1 1 338.452 0.174 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C1(NC(C)=O)CCCC1 ZINC001266337796 835721898 /nfs/dbraw/zinc/72/18/98/835721898.db2.gz QLUHSQDWHKGMKL-CYBMUJFWSA-N 1 1 338.452 0.174 20 30 ECEDMO C#CCNC(=O)CN1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266376547 835788378 /nfs/dbraw/zinc/78/83/78/835788378.db2.gz DUPDPQHDFIUICM-HNNXBMFYSA-N 1 1 346.475 0.048 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)CCn1c(C)csc1=O ZINC001266394213 835801085 /nfs/dbraw/zinc/80/10/85/835801085.db2.gz LAKVIZCKHCRUBG-UHFFFAOYSA-N 1 1 339.461 0.696 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cccc2c1NC(=O)CO2 ZINC001266394569 835801728 /nfs/dbraw/zinc/80/17/28/835801728.db2.gz UDLHQIUXNAVCIV-UHFFFAOYSA-N 1 1 345.399 0.719 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1csc(=O)[nH]1 ZINC001266411590 835816164 /nfs/dbraw/zinc/81/61/64/835816164.db2.gz ZXGWDNKWZAYNNK-JTQLQIEISA-N 1 1 326.422 0.591 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1csc(=O)[nH]1 ZINC001266411590 835816168 /nfs/dbraw/zinc/81/61/68/835816168.db2.gz ZXGWDNKWZAYNNK-JTQLQIEISA-N 1 1 326.422 0.591 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001266429157 835833948 /nfs/dbraw/zinc/83/39/48/835833948.db2.gz ZMGVEDWSSWJLAZ-KBPBESRZSA-N 1 1 345.447 0.091 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001266429157 835833958 /nfs/dbraw/zinc/83/39/58/835833958.db2.gz ZMGVEDWSSWJLAZ-KBPBESRZSA-N 1 1 345.447 0.091 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN(C(=O)c2ccccc2O)C1 ZINC001266448637 835852719 /nfs/dbraw/zinc/85/27/19/835852719.db2.gz RPLPZDZZRNCRRK-AWEZNQCLSA-N 1 1 344.415 0.816 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@H](C[N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001266455784 835857967 /nfs/dbraw/zinc/85/79/67/835857967.db2.gz LEKBKULDVZWCMZ-CABCVRRESA-N 1 1 333.432 0.621 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](C[N@@H+](C)CC(=O)NC2CC2)C1 ZINC001266456435 835859297 /nfs/dbraw/zinc/85/92/97/835859297.db2.gz WEZKCHMIRAKSKX-GJZGRUSLSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001266459619 835861913 /nfs/dbraw/zinc/86/19/13/835861913.db2.gz RKBSULSJZZLXSQ-OAHLLOKOSA-N 1 1 328.416 0.527 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC001266461786 835863379 /nfs/dbraw/zinc/86/33/79/835863379.db2.gz WRBRGNSMCYGAOA-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC1 ZINC001266461786 835863381 /nfs/dbraw/zinc/86/33/81/835863381.db2.gz WRBRGNSMCYGAOA-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001266464223 835865240 /nfs/dbraw/zinc/86/52/40/835865240.db2.gz WBXFONPLALAGBR-AWEZNQCLSA-N 1 1 332.404 0.143 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001266465234 835867754 /nfs/dbraw/zinc/86/77/54/835867754.db2.gz RDGUDXPBPMVMBN-ZDUSSCGKSA-N 1 1 327.388 0.802 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC001266471142 835874192 /nfs/dbraw/zinc/87/41/92/835874192.db2.gz JAHRTIOBVHGANV-ZFWWWQNUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC001266471142 835874198 /nfs/dbraw/zinc/87/41/98/835874198.db2.gz JAHRTIOBVHGANV-ZFWWWQNUSA-N 1 1 344.415 0.422 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCCC(N)=O)C1 ZINC001266472990 835876151 /nfs/dbraw/zinc/87/61/51/835876151.db2.gz UGMBIIKQWJINRP-INIZCTEOSA-N 1 1 337.464 0.852 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccnc(OC)n2)C1 ZINC001266510712 835917175 /nfs/dbraw/zinc/91/71/75/835917175.db2.gz FAOZRDFOQIPPIO-GUYCJALGSA-N 1 1 334.420 0.750 20 30 ECEDMO COCC#CCN1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266513598 835923759 /nfs/dbraw/zinc/92/37/59/835923759.db2.gz CZFPEPQKFWNMTF-MRXNPFEDSA-N 1 1 347.463 0.146 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2cncc(C)c2)C1 ZINC001266523525 835938333 /nfs/dbraw/zinc/93/83/33/835938333.db2.gz PRUQWNYNEZWKFV-HNNXBMFYSA-N 1 1 330.432 0.673 20 30 ECEDMO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001266526136 835941176 /nfs/dbraw/zinc/94/11/76/835941176.db2.gz REHYTKPRVYRYPE-IRXDYDNUSA-N 1 1 349.475 0.601 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001266535444 835954173 /nfs/dbraw/zinc/95/41/73/835954173.db2.gz ZSHLSXZVXOKVIX-VNQPRFMTSA-N 1 1 341.415 0.263 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001266535444 835954178 /nfs/dbraw/zinc/95/41/78/835954178.db2.gz ZSHLSXZVXOKVIX-VNQPRFMTSA-N 1 1 341.415 0.263 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001266537011 835955554 /nfs/dbraw/zinc/95/55/54/835955554.db2.gz CFKIQVHJINVRJJ-CYBMUJFWSA-N 1 1 332.466 0.450 20 30 ECEDMO CO[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CCCC1 ZINC001266546711 835968083 /nfs/dbraw/zinc/96/80/83/835968083.db2.gz VRDKQPKTMDRSSH-XJKSGUPXSA-N 1 1 336.436 0.269 20 30 ECEDMO CO[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCCC1 ZINC001266546711 835968095 /nfs/dbraw/zinc/96/80/95/835968095.db2.gz VRDKQPKTMDRSSH-XJKSGUPXSA-N 1 1 336.436 0.269 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1ccncc1C)C1CC1 ZINC001266591118 836020004 /nfs/dbraw/zinc/02/00/04/836020004.db2.gz ZXDDHNXKEKAXPO-AWEZNQCLSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1ccncc1C)C1CC1 ZINC001266591118 836020017 /nfs/dbraw/zinc/02/00/17/836020017.db2.gz ZXDDHNXKEKAXPO-AWEZNQCLSA-N 1 1 328.416 0.722 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](CC(=O)NC(C)(C)C)C1CC1 ZINC001266590833 836020284 /nfs/dbraw/zinc/02/02/84/836020284.db2.gz QYWRLDRFDOYETQ-QGZVFWFLSA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@H+](CC(=O)NC(C)(C)C)C1CC1 ZINC001266590833 836020295 /nfs/dbraw/zinc/02/02/95/836020295.db2.gz QYWRLDRFDOYETQ-QGZVFWFLSA-N 1 1 325.453 0.809 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nnn(C)n2)C1 ZINC001266660019 836097318 /nfs/dbraw/zinc/09/73/18/836097318.db2.gz UALGHZIMHXAVQS-KBPBESRZSA-N 1 1 334.424 0.339 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccnc2)C1 ZINC001266662124 836100098 /nfs/dbraw/zinc/10/00/98/836100098.db2.gz CDSPALVVNCRPPG-DLBZAZTESA-N 1 1 330.432 0.846 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3ccc(C#N)nn3)CCO2)C1 ZINC001104349896 836191354 /nfs/dbraw/zinc/19/13/54/836191354.db2.gz MOUKWZLVEAOWID-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1nnc(C)n1C1CC1 ZINC001266728934 836207637 /nfs/dbraw/zinc/20/76/37/836207637.db2.gz QAVMJEJISHRJJU-INIZCTEOSA-N 1 1 344.463 0.567 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1nnc(C)n1C1CC1 ZINC001266728934 836207644 /nfs/dbraw/zinc/20/76/44/836207644.db2.gz QAVMJEJISHRJJU-INIZCTEOSA-N 1 1 344.463 0.567 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC(C)(C)O)C1 ZINC001266749292 836236363 /nfs/dbraw/zinc/23/63/63/836236363.db2.gz GPSVKRUPZQUROL-KBPBESRZSA-N 1 1 325.453 0.666 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001266749692 836239038 /nfs/dbraw/zinc/23/90/38/836239038.db2.gz LKVDROPJLJJPBD-OAHLLOKOSA-N 1 1 346.431 0.853 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CCC[N@H+](Cc2cncc(OC)n2)C1 ZINC001266749692 836239048 /nfs/dbraw/zinc/23/90/48/836239048.db2.gz LKVDROPJLJJPBD-OAHLLOKOSA-N 1 1 346.431 0.853 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](CNC(=O)CCCNC(=O)C2CC2)C1 ZINC001266751073 836243054 /nfs/dbraw/zinc/24/30/54/836243054.db2.gz BGFWCBZKXGOVOO-MRXNPFEDSA-N 1 1 349.475 0.771 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001266753052 836246562 /nfs/dbraw/zinc/24/65/62/836246562.db2.gz ZUIWMUSODYEOPX-CABCVRRESA-N 1 1 345.447 0.308 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001266753052 836246571 /nfs/dbraw/zinc/24/65/71/836246571.db2.gz ZUIWMUSODYEOPX-CABCVRRESA-N 1 1 345.447 0.308 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001266753052 836246580 /nfs/dbraw/zinc/24/65/80/836246580.db2.gz ZUIWMUSODYEOPX-CABCVRRESA-N 1 1 345.447 0.308 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001266758091 836254705 /nfs/dbraw/zinc/25/47/05/836254705.db2.gz NRYHFNAKOOBIOC-CRAIPNDOSA-N 1 1 339.439 0.904 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)NC(C)=O)C1 ZINC001266761091 836263394 /nfs/dbraw/zinc/26/33/94/836263394.db2.gz SYNXQHVOISRTTD-CABCVRRESA-N 1 1 338.452 0.032 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C(C)C)no2)C1 ZINC001266764219 836268101 /nfs/dbraw/zinc/26/81/01/836268101.db2.gz MRSLTFFIPGVRMX-CQSZACIVSA-N 1 1 346.431 0.989 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C(C)C)no2)C1 ZINC001266764219 836268113 /nfs/dbraw/zinc/26/81/13/836268113.db2.gz MRSLTFFIPGVRMX-CQSZACIVSA-N 1 1 346.431 0.989 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cnn(CC)c2)C1 ZINC001266768116 836277189 /nfs/dbraw/zinc/27/71/89/836277189.db2.gz YQHMXLPARGDWDJ-HNNXBMFYSA-N 1 1 347.463 0.576 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC ZINC001266848891 836377687 /nfs/dbraw/zinc/37/76/87/836377687.db2.gz HSUSRHZOFNNTHQ-WMLDXEAASA-N 1 1 325.453 0.932 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC ZINC001266848891 836377698 /nfs/dbraw/zinc/37/76/98/836377698.db2.gz HSUSRHZOFNNTHQ-WMLDXEAASA-N 1 1 325.453 0.932 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1C ZINC001266871126 836416589 /nfs/dbraw/zinc/41/65/89/836416589.db2.gz SZFCHXDGASSTOE-HOTGVXAUSA-N 1 1 334.464 0.191 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c(C)ncn2C)C1 ZINC001266890418 836438889 /nfs/dbraw/zinc/43/88/89/836438889.db2.gz JYJSYSNIICJYRD-ZFWWWQNUSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(OC)no2)C1 ZINC001266894850 836444855 /nfs/dbraw/zinc/44/48/55/836444855.db2.gz XPXMWMPMQZIREH-OLZOCXBDSA-N 1 1 348.403 0.263 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)SC ZINC001266900433 836453851 /nfs/dbraw/zinc/45/38/51/836453851.db2.gz DUVASOJXNZWNQX-DGTMBMJNSA-N 1 1 325.478 0.865 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cccc1 ZINC001266900703 836454031 /nfs/dbraw/zinc/45/40/31/836454031.db2.gz XYFFMHDRYXRVCI-ZVDSWSACSA-N 1 1 328.416 0.233 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001266904785 836462292 /nfs/dbraw/zinc/46/22/92/836462292.db2.gz KCKGUTNSZAVOQN-NMNMXBMNSA-N 1 1 330.432 0.499 20 30 ECEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001266904785 836462295 /nfs/dbraw/zinc/46/22/95/836462295.db2.gz KCKGUTNSZAVOQN-NMNMXBMNSA-N 1 1 330.432 0.499 20 30 ECEDMO C[C@H](CNC(=O)C#CC1CC1)[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC001266937818 836496876 /nfs/dbraw/zinc/49/68/76/836496876.db2.gz OUDBHHHNZYLFHT-CYBMUJFWSA-N 1 1 338.411 0.941 20 30 ECEDMO CNC(=O)Cc1noc(C[NH2+]C2CC(N(C)C(=O)C#CC(C)C)C2)n1 ZINC001279230618 836500056 /nfs/dbraw/zinc/50/00/56/836500056.db2.gz XJBPGRWNKBRWHU-UHFFFAOYSA-N 1 1 347.419 0.097 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1n[nH]c2ccccc21 ZINC001266988877 836570157 /nfs/dbraw/zinc/57/01/57/836570157.db2.gz JBUXJFGMBLJDMA-RYUDHWBXSA-N 1 1 327.388 0.409 20 30 ECEDMO C#Cc1cccc(NC(=O)CN[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001266992913 836575397 /nfs/dbraw/zinc/57/53/97/836575397.db2.gz FRUYDYSFRZOQTJ-HOCLYGCPSA-N 1 1 342.443 0.652 20 30 ECEDMO C#Cc1cccc(NC(=O)CN[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001266992913 836575406 /nfs/dbraw/zinc/57/54/06/836575406.db2.gz FRUYDYSFRZOQTJ-HOCLYGCPSA-N 1 1 342.443 0.652 20 30 ECEDMO CN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001408553333 836623302 /nfs/dbraw/zinc/62/33/02/836623302.db2.gz BHVJCZNUAJBIOK-HOCLYGCPSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001267103527 836778392 /nfs/dbraw/zinc/77/83/92/836778392.db2.gz AGQXFIQFXOKRDK-OAHLLOKOSA-N 1 1 333.432 0.862 20 30 ECEDMO CC[C@@]1(C(=O)N2CCC[C@H]([N@@H+](C)CC#CCOC)C2)CCNC1=O ZINC001267105282 836783230 /nfs/dbraw/zinc/78/32/30/836783230.db2.gz YTSQWOFLMSCTER-MAUKXSAKSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccnn2CC)C1 ZINC001267106755 836787575 /nfs/dbraw/zinc/78/75/75/836787575.db2.gz VTYBLPKPIQUGHP-CQSZACIVSA-N 1 1 331.420 0.189 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccnn2CC)C1 ZINC001267106755 836787581 /nfs/dbraw/zinc/78/75/81/836787581.db2.gz VTYBLPKPIQUGHP-CQSZACIVSA-N 1 1 331.420 0.189 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)ncn2C)C1 ZINC001267107413 836788583 /nfs/dbraw/zinc/78/85/83/836788583.db2.gz GIVSZMBVLCNRAO-GJZGRUSLSA-N 1 1 347.463 0.956 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001267109902 836793711 /nfs/dbraw/zinc/79/37/11/836793711.db2.gz YQNFXKYJTDFRKE-MGPQQGTHSA-N 1 1 336.436 0.577 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001267109902 836793715 /nfs/dbraw/zinc/79/37/15/836793715.db2.gz YQNFXKYJTDFRKE-MGPQQGTHSA-N 1 1 336.436 0.577 20 30 ECEDMO COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001267111231 836796883 /nfs/dbraw/zinc/79/68/83/836796883.db2.gz NHKHGDBWCQMSJU-ZDUSSCGKSA-N 1 1 332.404 0.300 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001267114138 836805611 /nfs/dbraw/zinc/80/56/11/836805611.db2.gz BTWLDLYAUYLIGD-CQSZACIVSA-N 1 1 332.404 0.626 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001267114138 836805619 /nfs/dbraw/zinc/80/56/19/836805619.db2.gz BTWLDLYAUYLIGD-CQSZACIVSA-N 1 1 332.404 0.626 20 30 ECEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001267115068 836808474 /nfs/dbraw/zinc/80/84/74/836808474.db2.gz QGTGVPUDMHFGLV-CYBMUJFWSA-N 1 1 334.420 0.989 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)N[C@H](C)c2nncn2C)CC1 ZINC001267154439 836861600 /nfs/dbraw/zinc/86/16/00/836861600.db2.gz DBMJIOXMDAVJAT-HUUCEWRRSA-N 1 1 346.479 0.706 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC1(F)F ZINC001267164846 836885625 /nfs/dbraw/zinc/88/56/25/836885625.db2.gz OAALICFQXZNAMV-OLZOCXBDSA-N 1 1 327.375 0.752 20 30 ECEDMO Cc1cc(C(=O)NCCC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)cnn1 ZINC001267165724 836888250 /nfs/dbraw/zinc/88/82/50/836888250.db2.gz OPRYTYWVMVXPSG-OAHLLOKOSA-N 1 1 344.419 0.399 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267178651 836921955 /nfs/dbraw/zinc/92/19/55/836921955.db2.gz YHKGKUIAMHNMGS-CQSZACIVSA-N 1 1 346.431 0.082 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CCCc3n[nH]cc32)C1=O ZINC001267195710 836959844 /nfs/dbraw/zinc/95/98/44/836959844.db2.gz LDEKDIIYYOLHLB-BBRMVZONSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CCCc3n[nH]cc32)C1=O ZINC001267195710 836959852 /nfs/dbraw/zinc/95/98/52/836959852.db2.gz LDEKDIIYYOLHLB-BBRMVZONSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001267202701 836979107 /nfs/dbraw/zinc/97/91/07/836979107.db2.gz HFKPGBILKYVOKY-UONOGXRCSA-N 1 1 347.463 0.818 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001267202701 836979119 /nfs/dbraw/zinc/97/91/19/836979119.db2.gz HFKPGBILKYVOKY-UONOGXRCSA-N 1 1 347.463 0.818 20 30 ECEDMO C[N@H+](CCNC(=O)C(=O)NCC1CC1)Cc1ccc(C#N)c(F)c1 ZINC001267225158 837021494 /nfs/dbraw/zinc/02/14/94/837021494.db2.gz QKXGPUGAHXXNQM-UHFFFAOYSA-N 1 1 332.379 0.772 20 30 ECEDMO C[N@@H+](CCNC(=O)C(=O)NCC1CC1)Cc1ccc(C#N)c(F)c1 ZINC001267225158 837021507 /nfs/dbraw/zinc/02/15/07/837021507.db2.gz QKXGPUGAHXXNQM-UHFFFAOYSA-N 1 1 332.379 0.772 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](C)CCn2c(C)csc2=O)cn1 ZINC001267226775 837025059 /nfs/dbraw/zinc/02/50/59/837025059.db2.gz OUJUHWLWNFNFHB-UHFFFAOYSA-N 1 1 344.440 0.956 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)CN1Cc2ccccc2C1=O ZINC001267226976 837026330 /nfs/dbraw/zinc/02/63/30/837026330.db2.gz YFTHCWITAWNUOA-UHFFFAOYSA-N 1 1 329.400 0.340 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(OC(C)C)cn1 ZINC001267234609 837041749 /nfs/dbraw/zinc/04/17/49/837041749.db2.gz OHNNTCNPZFSLLI-CQSZACIVSA-N 1 1 346.431 0.668 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(OC(C)C)cn1 ZINC001267234609 837041756 /nfs/dbraw/zinc/04/17/56/837041756.db2.gz OHNNTCNPZFSLLI-CQSZACIVSA-N 1 1 346.431 0.668 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1ccnc(F)c1)C(C)C ZINC001267235682 837042150 /nfs/dbraw/zinc/04/21/50/837042150.db2.gz HXKNMKGGQGKCSU-UHFFFAOYSA-N 1 1 334.395 0.800 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2cnn3c2CCC3)C1=O ZINC001267242118 837050236 /nfs/dbraw/zinc/05/02/36/837050236.db2.gz BKZJTVXYIUWWEY-INIZCTEOSA-N 1 1 345.447 0.668 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cnn2c1OCCC2 ZINC001267245439 837059325 /nfs/dbraw/zinc/05/93/25/837059325.db2.gz KJKJOKBOBHXZCC-ZDUSSCGKSA-N 1 1 349.435 0.408 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cnn2c1OCCC2 ZINC001267245439 837059334 /nfs/dbraw/zinc/05/93/34/837059334.db2.gz KJKJOKBOBHXZCC-ZDUSSCGKSA-N 1 1 349.435 0.408 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)Cc1cccnc1C ZINC001267250870 837069115 /nfs/dbraw/zinc/06/91/15/837069115.db2.gz XMXQKYNCKRYQDY-OAHLLOKOSA-N 1 1 330.432 0.509 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)Cc1cccnc1C ZINC001267250870 837069124 /nfs/dbraw/zinc/06/91/24/837069124.db2.gz XMXQKYNCKRYQDY-OAHLLOKOSA-N 1 1 330.432 0.509 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)CNC(=O)C1CCCCC1 ZINC001267255449 837076611 /nfs/dbraw/zinc/07/66/11/837076611.db2.gz ZULIXVNSIVTMRL-UHFFFAOYSA-N 1 1 337.464 0.771 20 30 ECEDMO C#CCC1(C(=O)NCC[N@@H+](CC)CC(=O)NC(N)=O)CCCCC1 ZINC001267256931 837081550 /nfs/dbraw/zinc/08/15/50/837081550.db2.gz IQDLBHFWYRFBBD-UHFFFAOYSA-N 1 1 336.436 0.593 20 30 ECEDMO C#CCC1(C(=O)NCC[N@H+](CC)CC(=O)NC(N)=O)CCCCC1 ZINC001267256931 837081560 /nfs/dbraw/zinc/08/15/60/837081560.db2.gz IQDLBHFWYRFBBD-UHFFFAOYSA-N 1 1 336.436 0.593 20 30 ECEDMO CC[N@H+](CCNC(=O)[C@@H]1COc2ccccc21)CC(=O)NCC#N ZINC001267259707 837086866 /nfs/dbraw/zinc/08/68/66/837086866.db2.gz SPYLRGCBGDAXED-CQSZACIVSA-N 1 1 330.388 0.240 20 30 ECEDMO CC[N@@H+](CCNC(=O)[C@@H]1COc2ccccc21)CC(=O)NCC#N ZINC001267259707 837086878 /nfs/dbraw/zinc/08/68/78/837086878.db2.gz SPYLRGCBGDAXED-CQSZACIVSA-N 1 1 330.388 0.240 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CCC ZINC001267267105 837105977 /nfs/dbraw/zinc/10/59/77/837105977.db2.gz LJASZFWOYZRAFR-HUUCEWRRSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CCC ZINC001267267105 837105987 /nfs/dbraw/zinc/10/59/87/837105987.db2.gz LJASZFWOYZRAFR-HUUCEWRRSA-N 1 1 345.447 0.625 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1cnn(C)c1C ZINC001267268869 837107237 /nfs/dbraw/zinc/10/72/37/837107237.db2.gz HIHYZEGANSKOAY-MRXNPFEDSA-N 1 1 347.463 0.544 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cnn(C)c1C ZINC001267268869 837107240 /nfs/dbraw/zinc/10/72/40/837107240.db2.gz HIHYZEGANSKOAY-MRXNPFEDSA-N 1 1 347.463 0.544 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001267280099 837126066 /nfs/dbraw/zinc/12/60/66/837126066.db2.gz QYSRBLCUZRHDBM-SMDDNHRTSA-N 1 1 332.404 0.624 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001267280099 837126072 /nfs/dbraw/zinc/12/60/72/837126072.db2.gz QYSRBLCUZRHDBM-SMDDNHRTSA-N 1 1 332.404 0.624 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001267280106 837126139 /nfs/dbraw/zinc/12/61/39/837126139.db2.gz RAUPVXYLOKZFNB-CYBMUJFWSA-N 1 1 339.399 0.507 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001267280106 837126144 /nfs/dbraw/zinc/12/61/44/837126144.db2.gz RAUPVXYLOKZFNB-CYBMUJFWSA-N 1 1 339.399 0.507 20 30 ECEDMO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001267280104 837126906 /nfs/dbraw/zinc/12/69/06/837126906.db2.gz RASNYLJYPMXGRX-HNNXBMFYSA-N 1 1 347.463 0.928 20 30 ECEDMO CS(=O)(=O)CC1(C[N@@H+]2CC[C@H](CNC(=O)C#CC3CC3)C2)CC1 ZINC001267292534 837144757 /nfs/dbraw/zinc/14/47/57/837144757.db2.gz BORGYRFIXOWAIF-OAHLLOKOSA-N 1 1 338.473 0.663 20 30 ECEDMO CS(=O)(=O)CC1(C[N@H+]2CC[C@H](CNC(=O)C#CC3CC3)C2)CC1 ZINC001267292534 837144761 /nfs/dbraw/zinc/14/47/61/837144761.db2.gz BORGYRFIXOWAIF-OAHLLOKOSA-N 1 1 338.473 0.663 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001267292603 837145998 /nfs/dbraw/zinc/14/59/98/837145998.db2.gz CWAMTWSECMQQIL-UONOGXRCSA-N 1 1 348.399 0.625 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001267292603 837146003 /nfs/dbraw/zinc/14/60/03/837146003.db2.gz CWAMTWSECMQQIL-UONOGXRCSA-N 1 1 348.399 0.625 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC001267293019 837146952 /nfs/dbraw/zinc/14/69/52/837146952.db2.gz KHDJOIOCMVBSPE-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001267293745 837147910 /nfs/dbraw/zinc/14/79/10/837147910.db2.gz YHVSYZMJBGQNIJ-UONOGXRCSA-N 1 1 333.436 0.471 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001267298908 837161259 /nfs/dbraw/zinc/16/12/59/837161259.db2.gz SROOAFXVLOQEOP-CYBMUJFWSA-N 1 1 332.404 0.590 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001267298539 837162625 /nfs/dbraw/zinc/16/26/25/837162625.db2.gz OPLRMDUIJCMLDF-STQMWFEESA-N 1 1 349.456 0.946 20 30 ECEDMO C#CCNC(=O)CN1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267302702 837167259 /nfs/dbraw/zinc/16/72/59/837167259.db2.gz GYCDQUXHYITZPU-DLBZAZTESA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)CN1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267302702 837167267 /nfs/dbraw/zinc/16/72/67/837167267.db2.gz GYCDQUXHYITZPU-DLBZAZTESA-N 1 1 348.491 0.437 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cncc(OC)n2)C1 ZINC001267302030 837167708 /nfs/dbraw/zinc/16/77/08/837167708.db2.gz AGQHWUCEQCGFPG-QWHCGFSZSA-N 1 1 347.419 0.228 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CCc2ncccn2)C1 ZINC001267304259 837173202 /nfs/dbraw/zinc/17/32/02/837173202.db2.gz GKMSOEGTGWKTPW-GJZGRUSLSA-N 1 1 345.447 0.538 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2ccccc2F)C1 ZINC001267305685 837174052 /nfs/dbraw/zinc/17/40/52/837174052.db2.gz MVTQUPKKAPGZAU-LSDHHAIUSA-N 1 1 345.418 0.944 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)Oc2ccccn2)C1 ZINC001267307466 837179870 /nfs/dbraw/zinc/17/98/70/837179870.db2.gz SUIRMYGWNNPPTA-CABCVRRESA-N 1 1 346.431 0.589 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCC)CCNC(=O)c2nccnc2N)C1=O ZINC001267312397 837187452 /nfs/dbraw/zinc/18/74/52/837187452.db2.gz ZFZDKLNDTQNIPU-CYBMUJFWSA-N 1 1 346.435 0.288 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@H+](CCC)[C@H]2CCN(C)C2=O)nn1 ZINC001267317746 837193970 /nfs/dbraw/zinc/19/39/70/837193970.db2.gz LBKPDVZBBJNEFU-AWEZNQCLSA-N 1 1 334.424 0.137 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)[C@]1(F)CCOC1 ZINC001267317079 837194391 /nfs/dbraw/zinc/19/43/91/837194391.db2.gz NNRPSNMJONDUIA-CJNGLKHVSA-N 1 1 327.400 0.081 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cnn(C)c1C)C1CC1 ZINC001267321977 837199110 /nfs/dbraw/zinc/19/91/10/837199110.db2.gz QFWKUBUGFIWUEY-ZDUSSCGKSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cnn(C)c1C)C1CC1 ZINC001267321977 837199114 /nfs/dbraw/zinc/19/91/14/837199114.db2.gz QFWKUBUGFIWUEY-ZDUSSCGKSA-N 1 1 333.436 0.613 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@H]1CCCCN(C)C1=O)C1CC1 ZINC001267335881 837218656 /nfs/dbraw/zinc/21/86/56/837218656.db2.gz DVXDFOHEUQBBRL-MRXNPFEDSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCNC(=O)Cc2nonc2C)C2CC2)C1=O ZINC001267334983 837219172 /nfs/dbraw/zinc/21/91/72/837219172.db2.gz JNSHBXDHCSDYRN-HNNXBMFYSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCNC(=O)Cc2nonc2C)C2CC2)C1=O ZINC001267334983 837219182 /nfs/dbraw/zinc/21/91/82/837219182.db2.gz JNSHBXDHCSDYRN-HNNXBMFYSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)Cc2ccc(C(N)=O)cc2)CC1 ZINC001098579684 837266733 /nfs/dbraw/zinc/26/67/33/837266733.db2.gz JAIDDKRVMSKMKD-UHFFFAOYSA-N 1 1 345.443 0.799 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC001267581932 837847666 /nfs/dbraw/zinc/84/76/66/837847666.db2.gz GJGPELNGYWZFIB-CABCVRRESA-N 1 1 345.447 0.260 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](C[N@H+](C)C[C@@H]2CCNC(=O)CC2)C1 ZINC001267582435 837847770 /nfs/dbraw/zinc/84/77/70/837847770.db2.gz ITAIVCWYBRICBW-DLBZAZTESA-N 1 1 349.475 0.723 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001267587956 837869516 /nfs/dbraw/zinc/86/95/16/837869516.db2.gz SSTUUMKZKMYICJ-ZDUSSCGKSA-N 1 1 327.388 0.358 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2oc(CC)nc2C)C1 ZINC001267591322 837880745 /nfs/dbraw/zinc/88/07/45/837880745.db2.gz BPDLXUYNWHKYED-CQSZACIVSA-N 1 1 346.431 0.689 20 30 ECEDMO CCC(=O)N1CC[C@H](C(=O)NCC[C@H]2CC[N@@H+](CC#CCOC)C2)C1 ZINC001267595050 837897629 /nfs/dbraw/zinc/89/76/29/837897629.db2.gz OXJRLYVUEZKMMH-IRXDYDNUSA-N 1 1 349.475 0.723 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)c2cnn(C)n2)CC1 ZINC001267602858 837927709 /nfs/dbraw/zinc/92/77/09/837927709.db2.gz MLDMTRZZVHYIIR-ZDUSSCGKSA-N 1 1 348.451 0.290 20 30 ECEDMO CC#CC[N@@H+](C)CC1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001267604466 837936997 /nfs/dbraw/zinc/93/69/97/837936997.db2.gz REEOIEFYMWGHJT-UHFFFAOYSA-N 1 1 332.404 0.293 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2n[nH]c3c2C[C@@H](C)CC3)CC1 ZINC001267617731 838044270 /nfs/dbraw/zinc/04/42/70/838044270.db2.gz HGMOSFWJERHYGL-HNNXBMFYSA-N 1 1 343.475 0.857 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)noc2C)C1 ZINC001267634252 838103543 /nfs/dbraw/zinc/10/35/43/838103543.db2.gz NLFKGTLXJMIXAG-HIFRSBDPSA-N 1 1 346.431 0.552 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2c(C)noc2C)C1 ZINC001267634252 838103547 /nfs/dbraw/zinc/10/35/47/838103547.db2.gz NLFKGTLXJMIXAG-HIFRSBDPSA-N 1 1 346.431 0.552 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)CSC)C1 ZINC001267638121 838112668 /nfs/dbraw/zinc/11/26/68/838112668.db2.gz JKSKEMOXYRPUFI-ZIAGYGMSSA-N 1 1 325.478 0.515 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC001267638613 838116476 /nfs/dbraw/zinc/11/64/76/838116476.db2.gz OTEMJRYRUDXGOL-CABCVRRESA-N 1 1 330.432 0.557 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC001267638616 838116889 /nfs/dbraw/zinc/11/68/89/838116889.db2.gz OTEMJRYRUDXGOL-LSDHHAIUSA-N 1 1 330.432 0.557 20 30 ECEDMO CC[C@H](SC)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267638998 838118225 /nfs/dbraw/zinc/11/82/25/838118225.db2.gz WNVYFKHNRPDUKJ-OLZOCXBDSA-N 1 1 326.466 0.548 20 30 ECEDMO CCO[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1)C(C)C ZINC001267645883 838131269 /nfs/dbraw/zinc/13/12/69/838131269.db2.gz HNOXODQIETZCOS-HOCLYGCPSA-N 1 1 338.452 0.468 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001267658394 838173414 /nfs/dbraw/zinc/17/34/14/838173414.db2.gz NRCKMAAMXXTMDY-QWHCGFSZSA-N 1 1 327.375 0.561 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(=O)NC)C1 ZINC001267671617 838206017 /nfs/dbraw/zinc/20/60/17/838206017.db2.gz VFAIXHYPZFDQOG-CYBMUJFWSA-N 1 1 338.452 0.825 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)CCc2cncs2)C1 ZINC001267682627 838242516 /nfs/dbraw/zinc/24/25/16/838242516.db2.gz GXHMOQMSSVAIEC-CYBMUJFWSA-N 1 1 349.460 0.496 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cccc3c2OCC3)C1 ZINC001267693779 838274987 /nfs/dbraw/zinc/27/49/87/838274987.db2.gz QDFFAZMTRINTOO-CYBMUJFWSA-N 1 1 343.427 0.974 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001267703735 838307400 /nfs/dbraw/zinc/30/74/00/838307400.db2.gz VIEGLCOSLMTYGW-CYBMUJFWSA-N 1 1 338.452 0.825 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COCC(F)(F)F ZINC001267707101 838314034 /nfs/dbraw/zinc/31/40/34/838314034.db2.gz ZWFADPGXAFXEDZ-MELADBBJSA-N 1 1 346.349 0.625 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)COCC(F)(F)F ZINC001267707101 838314040 /nfs/dbraw/zinc/31/40/40/838314040.db2.gz ZWFADPGXAFXEDZ-MELADBBJSA-N 1 1 346.349 0.625 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001267725571 838394599 /nfs/dbraw/zinc/39/45/99/838394599.db2.gz SGKGDJDZVZNWQB-DOMZBBRYSA-N 1 1 332.379 0.092 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001267725571 838394606 /nfs/dbraw/zinc/39/46/06/838394606.db2.gz SGKGDJDZVZNWQB-DOMZBBRYSA-N 1 1 332.379 0.092 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001267729472 838414361 /nfs/dbraw/zinc/41/43/61/838414361.db2.gz XRXNXEWNFIFVTL-KBPBESRZSA-N 1 1 346.431 0.896 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2(c3cc(C)no3)CC2)C1 ZINC001267729472 838414363 /nfs/dbraw/zinc/41/43/63/838414363.db2.gz XRXNXEWNFIFVTL-KBPBESRZSA-N 1 1 346.431 0.896 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)CCOCC#C)CC1 ZINC001267730548 838417541 /nfs/dbraw/zinc/41/75/41/838417541.db2.gz YVVUPKKFTRRRKH-MRXNPFEDSA-N 1 1 347.459 0.335 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CCc3cnccn3)C2)C1=O ZINC001267732180 838423636 /nfs/dbraw/zinc/42/36/36/838423636.db2.gz FOOAPROSRRRNGA-HOTGVXAUSA-N 1 1 343.431 0.387 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CCc3cnccn3)C2)C1=O ZINC001267732180 838423637 /nfs/dbraw/zinc/42/36/37/838423637.db2.gz FOOAPROSRRRNGA-HOTGVXAUSA-N 1 1 343.431 0.387 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001267740332 838440058 /nfs/dbraw/zinc/44/00/58/838440058.db2.gz BNXBGGJNDXZKBK-ZIAGYGMSSA-N 1 1 336.436 0.603 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001267740332 838440064 /nfs/dbraw/zinc/44/00/64/838440064.db2.gz BNXBGGJNDXZKBK-ZIAGYGMSSA-N 1 1 336.436 0.603 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001267745785 838451565 /nfs/dbraw/zinc/45/15/65/838451565.db2.gz FOTSGFZKFNHOMJ-SJORKVTESA-N 1 1 349.475 0.708 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001267767475 838504214 /nfs/dbraw/zinc/50/42/14/838504214.db2.gz JQMJKRAOFAYNLT-NVXWUHKLSA-N 1 1 343.427 0.825 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001267767475 838504218 /nfs/dbraw/zinc/50/42/18/838504218.db2.gz JQMJKRAOFAYNLT-NVXWUHKLSA-N 1 1 343.427 0.825 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(C)n2C)C1 ZINC001267769635 838515809 /nfs/dbraw/zinc/51/58/09/838515809.db2.gz CIZBMDDQZWTYOL-TZMCWYRMSA-N 1 1 333.436 0.566 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(C)n2C)C1 ZINC001267769635 838515815 /nfs/dbraw/zinc/51/58/15/838515815.db2.gz CIZBMDDQZWTYOL-TZMCWYRMSA-N 1 1 333.436 0.566 20 30 ECEDMO CCOCCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267779727 838551536 /nfs/dbraw/zinc/55/15/36/838551536.db2.gz UQFWNRZBSHCAHA-HOTGVXAUSA-N 1 1 326.437 0.611 20 30 ECEDMO CCOCCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267779727 838551541 /nfs/dbraw/zinc/55/15/41/838551541.db2.gz UQFWNRZBSHCAHA-HOTGVXAUSA-N 1 1 326.437 0.611 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(CC)n2)C1 ZINC001267784584 838559581 /nfs/dbraw/zinc/55/95/81/838559581.db2.gz QOBYKKGPIOSSGZ-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(CC)n2)C1 ZINC001267784584 838559585 /nfs/dbraw/zinc/55/95/85/838559585.db2.gz QOBYKKGPIOSSGZ-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001267786765 838566305 /nfs/dbraw/zinc/56/63/05/838566305.db2.gz PFMGWYNPVCLCNA-LSDHHAIUSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001267786765 838566307 /nfs/dbraw/zinc/56/63/07/838566307.db2.gz PFMGWYNPVCLCNA-LSDHHAIUSA-N 1 1 337.464 0.862 20 30 ECEDMO CCN(C(=O)Cn1nnnc1C(C)C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267788947 838569654 /nfs/dbraw/zinc/56/96/54/838569654.db2.gz BIOMMRUDZISBGA-HNNXBMFYSA-N 1 1 348.451 0.369 20 30 ECEDMO CCN(C(=O)Cn1nnnc1C(C)C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267788947 838569662 /nfs/dbraw/zinc/56/96/62/838569662.db2.gz BIOMMRUDZISBGA-HNNXBMFYSA-N 1 1 348.451 0.369 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(=O)n2C)C1 ZINC001267791342 838572132 /nfs/dbraw/zinc/57/21/32/838572132.db2.gz PHZNVJHATCGEBD-AWEZNQCLSA-N 1 1 346.431 0.224 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(=O)n2C)C1 ZINC001267791342 838572136 /nfs/dbraw/zinc/57/21/36/838572136.db2.gz PHZNVJHATCGEBD-AWEZNQCLSA-N 1 1 346.431 0.224 20 30 ECEDMO C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)S(C)(=O)=O)CC2 ZINC001267973278 838904921 /nfs/dbraw/zinc/90/49/21/838904921.db2.gz KUDKHMNMLGWRKT-UHFFFAOYSA-N 1 1 341.477 0.216 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)C1=COCCO1)CC2 ZINC001267972630 838904924 /nfs/dbraw/zinc/90/49/24/838904924.db2.gz MNSVZJQHZQNZQC-UHFFFAOYSA-N 1 1 349.431 0.491 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)Cn2nnnc2C(C)C)C1 ZINC001268027089 839033488 /nfs/dbraw/zinc/03/34/88/839033488.db2.gz RSVJFOXXPLHCND-AWEZNQCLSA-N 1 1 336.440 0.580 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)c1ccncc1)CC2 ZINC001268042854 839190083 /nfs/dbraw/zinc/19/00/83/839190083.db2.gz XDGWYCXBIXJGDH-HNNXBMFYSA-N 1 1 340.427 0.758 20 30 ECEDMO C#CCOCCC(=O)N1CCC2(C[NH+](CC(=O)N3CCC3)C2)CC1 ZINC001268043622 839194240 /nfs/dbraw/zinc/19/42/40/839194240.db2.gz MWPJOITYIIQAOD-UHFFFAOYSA-N 1 1 333.432 0.183 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC1(F)F)CC2 ZINC001268043959 839199912 /nfs/dbraw/zinc/19/99/12/839199912.db2.gz UEOUAXLAUCWZHM-GFCCVEGCSA-N 1 1 327.375 0.868 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)SC)CC2 ZINC001268044116 839200486 /nfs/dbraw/zinc/20/04/86/839200486.db2.gz XRUXDOLTUZBSLE-AWEZNQCLSA-N 1 1 337.489 0.802 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)c1[nH]cnc1C)CC2 ZINC001268047466 839217791 /nfs/dbraw/zinc/21/77/91/839217791.db2.gz DANMDHMXFMRMRB-AWEZNQCLSA-N 1 1 345.447 0.947 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](CCCN3C(=O)CNC3=O)CC2)c(F)c1 ZINC000101558192 219136467 /nfs/dbraw/zinc/13/64/67/219136467.db2.gz OJWTXBABVMRIFR-UHFFFAOYSA-N 1 1 345.378 0.761 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCCN2C(=O)CNC2=O)c1 ZINC000066422373 215040512 /nfs/dbraw/zinc/04/05/12/215040512.db2.gz SPWJOICVYZNZJZ-UHFFFAOYSA-N 1 1 328.372 0.480 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCCN2C(=O)CNC2=O)c1 ZINC000066422373 215040515 /nfs/dbraw/zinc/04/05/15/215040515.db2.gz SPWJOICVYZNZJZ-UHFFFAOYSA-N 1 1 328.372 0.480 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000329791784 283094513 /nfs/dbraw/zinc/09/45/13/283094513.db2.gz UTIFVDNPVQSVTA-MGPQQGTHSA-N 1 1 329.466 0.894 20 30 ECEDMO N#Cc1ccc(C2=CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)cc1 ZINC000420147857 209321048 /nfs/dbraw/zinc/32/10/48/209321048.db2.gz DSAKLLBFPBOCPP-UHFFFAOYSA-N 1 1 348.353 0.884 20 30 ECEDMO COCC[N@@H+](CCC(=O)NCC(=O)OC)Cc1ccc(C#N)cc1 ZINC000264704175 246804505 /nfs/dbraw/zinc/80/45/05/246804505.db2.gz KQXUQMNKEQQIDP-UHFFFAOYSA-N 1 1 333.388 0.686 20 30 ECEDMO COC(=O)[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411909749 208163893 /nfs/dbraw/zinc/16/38/93/208163893.db2.gz RQUXENIPTVWLSX-CVEARBPZSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@@H]1CN(C)CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000411909749 208163895 /nfs/dbraw/zinc/16/38/95/208163895.db2.gz RQUXENIPTVWLSX-CVEARBPZSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000411909749 208163900 /nfs/dbraw/zinc/16/39/00/208163900.db2.gz RQUXENIPTVWLSX-CVEARBPZSA-N 1 1 347.415 0.335 20 30 ECEDMO COCC(COC)[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000413473018 208329573 /nfs/dbraw/zinc/32/95/73/208329573.db2.gz LCIBSNVJEXXVAP-UHFFFAOYSA-N 1 1 329.404 0.989 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(C)C ZINC000281469190 254550775 /nfs/dbraw/zinc/55/07/75/254550775.db2.gz IAPGDJIDHTZHKS-OAHLLOKOSA-N 1 1 344.415 0.899 20 30 ECEDMO CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)C(=O)N1CCOCC1 ZINC000328689940 254590340 /nfs/dbraw/zinc/59/03/40/254590340.db2.gz DFJJRRAAKICXKL-GJZGRUSLSA-N 1 1 340.468 0.859 20 30 ECEDMO CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)nn1 ZINC000329320370 254604850 /nfs/dbraw/zinc/60/48/50/254604850.db2.gz GHDJNTOTFRHWRW-NMFUWQPSSA-N 1 1 335.408 0.796 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000430748402 254793500 /nfs/dbraw/zinc/79/35/00/254793500.db2.gz DKGXNHJUGPQLMO-KRWDZBQOSA-N 1 1 346.431 0.141 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000491668226 254926268 /nfs/dbraw/zinc/92/62/68/254926268.db2.gz MJAWYLVSALGDQM-UHFFFAOYSA-N 1 1 342.443 0.359 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)CC1 ZINC000495611604 255024729 /nfs/dbraw/zinc/02/47/29/255024729.db2.gz HWQXUGDGPZYOGY-AWEZNQCLSA-N 1 1 339.436 0.694 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001041695634 782013372 /nfs/dbraw/zinc/01/33/72/782013372.db2.gz DCALZEKITLOJEH-JTDSTZFVSA-N 1 1 347.459 0.734 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1C#N ZINC000284367937 264204343 /nfs/dbraw/zinc/20/43/43/264204343.db2.gz BVRGXIMYWHTTEV-HUUCEWRRSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1C#N ZINC000284367937 264204344 /nfs/dbraw/zinc/20/43/44/264204344.db2.gz BVRGXIMYWHTTEV-HUUCEWRRSA-N 1 1 335.429 0.960 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(CC(=O)NCc3ccc(C#N)cc3)[C@H]2C1 ZINC000284483539 264218359 /nfs/dbraw/zinc/21/83/59/264218359.db2.gz AZUHCXRQCQCIKL-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000528560011 270008097 /nfs/dbraw/zinc/00/80/97/270008097.db2.gz FUROZHSQFHNCEV-ROUUACIJSA-N 1 1 345.443 0.829 20 30 ECEDMO CCC[C@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC[N@H+]1CCOC ZINC000336991710 266080758 /nfs/dbraw/zinc/08/07/58/266080758.db2.gz LLRZVDKCSVWIJR-KGLIPLIRSA-N 1 1 334.424 0.670 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000341375852 266152350 /nfs/dbraw/zinc/15/23/50/266152350.db2.gz ZXRIZGVZBLSGMG-LSDHHAIUSA-N 1 1 330.388 0.654 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000341375852 266152354 /nfs/dbraw/zinc/15/23/54/266152354.db2.gz ZXRIZGVZBLSGMG-LSDHHAIUSA-N 1 1 330.388 0.654 20 30 ECEDMO COc1cc(CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1C#N ZINC000360638450 266817814 /nfs/dbraw/zinc/81/78/14/266817814.db2.gz ZUXXXLBBQNDVMU-CYBMUJFWSA-N 1 1 332.404 0.775 20 30 ECEDMO C[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)n1cnc(C#N)n1 ZINC000336985090 267126901 /nfs/dbraw/zinc/12/69/01/267126901.db2.gz GZUUJKUHNAVNJD-CABCVRRESA-N 1 1 345.451 0.339 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366419387 267137252 /nfs/dbraw/zinc/13/72/52/267137252.db2.gz NFEUMLLPAPIUMV-LERXQTSPSA-N 1 1 326.356 0.480 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)ccc1F ZINC000340983881 268005494 /nfs/dbraw/zinc/00/54/94/268005494.db2.gz ZLQYNJSEILCXEO-CQSZACIVSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)ccc1F ZINC000340983881 268005496 /nfs/dbraw/zinc/00/54/96/268005496.db2.gz ZLQYNJSEILCXEO-CQSZACIVSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000363683395 268134037 /nfs/dbraw/zinc/13/40/37/268134037.db2.gz RHCLVFXEPCMPOG-HUUCEWRRSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000359515185 268176664 /nfs/dbraw/zinc/17/66/64/268176664.db2.gz MESLFERGQZDMKP-DZGCQCFKSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000359515185 268176668 /nfs/dbraw/zinc/17/66/68/268176668.db2.gz MESLFERGQZDMKP-DZGCQCFKSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000353572096 268198277 /nfs/dbraw/zinc/19/82/77/268198277.db2.gz WXTGEIBTIJTNPQ-UHFFFAOYSA-N 1 1 348.428 0.143 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000369111689 268255680 /nfs/dbraw/zinc/25/56/80/268255680.db2.gz QXAPHDNFGJQFCF-CVEARBPZSA-N 1 1 335.429 0.841 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000528546456 268296114 /nfs/dbraw/zinc/29/61/14/268296114.db2.gz CVECVIFMFNNDER-ZBFHGGJFSA-N 1 1 327.388 0.912 20 30 ECEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000415607526 275853523 /nfs/dbraw/zinc/85/35/23/275853523.db2.gz KKPFCAFMTVNIIP-UHFFFAOYSA-N 1 1 327.335 0.763 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000331816336 277055897 /nfs/dbraw/zinc/05/58/97/277055897.db2.gz GJJVMZDVXGYJGX-SOUVJXGZSA-N 1 1 333.436 0.627 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000104069632 280100940 /nfs/dbraw/zinc/10/09/40/280100940.db2.gz XCKYSPLRGJYKMU-CRAIPNDOSA-N 1 1 349.479 0.455 20 30 ECEDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000337094610 281058124 /nfs/dbraw/zinc/05/81/24/281058124.db2.gz PCRUBVRHMSIVGP-UONOGXRCSA-N 1 1 330.454 0.310 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000112201792 289107123 /nfs/dbraw/zinc/10/71/23/289107123.db2.gz VVEBUJIOLQFQAQ-QAPCUYQASA-N 1 1 334.464 0.839 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000112201792 289107125 /nfs/dbraw/zinc/10/71/25/289107125.db2.gz VVEBUJIOLQFQAQ-QAPCUYQASA-N 1 1 334.464 0.839 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000374424759 289238658 /nfs/dbraw/zinc/23/86/58/289238658.db2.gz RMXWOXHVEIGFRJ-LXTVHRRPSA-N 1 1 326.466 0.739 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)CCCCC#N)CC1 ZINC000354424701 437613769 /nfs/dbraw/zinc/61/37/69/437613769.db2.gz GOCSWCUHSDVKQZ-AWEZNQCLSA-N 1 1 342.465 0.248 20 30 ECEDMO Cn1c(=O)c(C#N)c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n(C)c1=O ZINC000161898007 294136442 /nfs/dbraw/zinc/13/64/42/294136442.db2.gz KKQKBIOUYLXAML-DOMZBBRYSA-N 1 1 343.431 0.409 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(C(C)C)c2C)C1 ZINC001077979059 782060500 /nfs/dbraw/zinc/06/05/00/782060500.db2.gz ZBUCSHNVRHNKQW-IAGOWNOFSA-N 1 1 332.448 0.808 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(C(C)C)c2C)C1 ZINC001077979059 782060511 /nfs/dbraw/zinc/06/05/11/782060511.db2.gz ZBUCSHNVRHNKQW-IAGOWNOFSA-N 1 1 332.448 0.808 20 30 ECEDMO CC(=O)NCc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000330816166 437623719 /nfs/dbraw/zinc/62/37/19/437623719.db2.gz GDGQLSMRMQSRMU-MRXNPFEDSA-N 1 1 333.436 0.894 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000069858145 435971530 /nfs/dbraw/zinc/97/15/30/435971530.db2.gz BBIIYTYDDQFLCO-HUUCEWRRSA-N 1 1 338.452 0.431 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858145 435971538 /nfs/dbraw/zinc/97/15/38/435971538.db2.gz BBIIYTYDDQFLCO-HUUCEWRRSA-N 1 1 338.452 0.431 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000075697475 436171361 /nfs/dbraw/zinc/17/13/61/436171361.db2.gz LYWYOLPYAWCMFW-QGZVFWFLSA-N 1 1 337.468 0.137 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000075697475 436171366 /nfs/dbraw/zinc/17/13/66/436171366.db2.gz LYWYOLPYAWCMFW-QGZVFWFLSA-N 1 1 337.468 0.137 20 30 ECEDMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000077841713 436256742 /nfs/dbraw/zinc/25/67/42/436256742.db2.gz JRPJSZCXQDBDDV-UHFFFAOYSA-N 1 1 343.431 0.639 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3nccs3)C2)CC1 ZINC000081624121 436353161 /nfs/dbraw/zinc/35/31/61/436353161.db2.gz ORHTZWXACWQEGG-ZDUSSCGKSA-N 1 1 332.429 0.664 20 30 ECEDMO CN(CCC#N)S(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000045797362 436376659 /nfs/dbraw/zinc/37/66/59/436376659.db2.gz CYAHSAXGQYYUCJ-UHFFFAOYSA-N 1 1 344.481 0.701 20 30 ECEDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000091540735 436453269 /nfs/dbraw/zinc/45/32/69/436453269.db2.gz BFIFTAJIIUYKBF-LSDHHAIUSA-N 1 1 336.436 0.174 20 30 ECEDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091589462 436454457 /nfs/dbraw/zinc/45/44/57/436454457.db2.gz ZWCWXKHBQNYXGF-ROUUACIJSA-N 1 1 349.523 0.952 20 30 ECEDMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052800224 436517902 /nfs/dbraw/zinc/51/79/02/436517902.db2.gz HZYGHRRYDVZNKJ-AWEZNQCLSA-N 1 1 344.415 0.748 20 30 ECEDMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052800224 436517904 /nfs/dbraw/zinc/51/79/04/436517904.db2.gz HZYGHRRYDVZNKJ-AWEZNQCLSA-N 1 1 344.415 0.748 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000092619089 436473794 /nfs/dbraw/zinc/47/37/94/436473794.db2.gz PORDEGQANLPFMV-AEFFLSMTSA-N 1 1 334.464 0.791 20 30 ECEDMO CN(CCC#N)C(=O)CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000092796440 436475921 /nfs/dbraw/zinc/47/59/21/436475921.db2.gz WPRPVUIKVBHYID-KRWDZBQOSA-N 1 1 335.496 0.850 20 30 ECEDMO CN(CCC#N)C(=O)CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000092796440 436475924 /nfs/dbraw/zinc/47/59/24/436475924.db2.gz WPRPVUIKVBHYID-KRWDZBQOSA-N 1 1 335.496 0.850 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000104188907 436557917 /nfs/dbraw/zinc/55/79/17/436557917.db2.gz CUHLNTXSOWWPSK-ZDUSSCGKSA-N 1 1 335.429 0.280 20 30 ECEDMO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)S(C)(=O)=O ZINC000112791692 436633574 /nfs/dbraw/zinc/63/35/74/436633574.db2.gz LXUMOMBWODLJMG-CYBMUJFWSA-N 1 1 337.445 0.882 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000115323727 436646305 /nfs/dbraw/zinc/64/63/05/436646305.db2.gz MBOSCJCJNSKUPD-UHFFFAOYSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000115323727 436646306 /nfs/dbraw/zinc/64/63/06/436646306.db2.gz MBOSCJCJNSKUPD-UHFFFAOYSA-N 1 1 326.400 0.871 20 30 ECEDMO C[N@@H+](CCCO)C1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115546878 436647881 /nfs/dbraw/zinc/64/78/81/436647881.db2.gz YCFQKIQGIOTQGR-QGZVFWFLSA-N 1 1 330.432 0.863 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000546187494 302245483 /nfs/dbraw/zinc/24/54/83/302245483.db2.gz GVIBWVIXYRTXKB-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000064443383 436649174 /nfs/dbraw/zinc/64/91/74/436649174.db2.gz HAYBIRUIQUPIPO-UHFFFAOYSA-N 1 1 339.395 0.840 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000137562788 436659319 /nfs/dbraw/zinc/65/93/19/436659319.db2.gz YYNAGGCUDOPGBH-INIZCTEOSA-N 1 1 342.395 0.948 20 30 ECEDMO C=CCNC(=O)CN(C)[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NCC=C ZINC000272310120 436709924 /nfs/dbraw/zinc/70/99/24/436709924.db2.gz ITGDJBLFCNNTPN-HZPDHXFCSA-N 1 1 336.480 0.766 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000139503629 436665598 /nfs/dbraw/zinc/66/55/98/436665598.db2.gz ZRDULXMZBCLVRD-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000270149535 436671499 /nfs/dbraw/zinc/67/14/99/436671499.db2.gz FVJVDFOQZCIXBX-HNNXBMFYSA-N 1 1 342.399 0.284 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](NC(N)=O)C2)c(OC)c1 ZINC000270698314 436674428 /nfs/dbraw/zinc/67/44/28/436674428.db2.gz XLWVQJPFPLMDAS-HUUCEWRRSA-N 1 1 349.431 0.906 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NCCCCn1cc[nH+]c1C ZINC000272816295 436721703 /nfs/dbraw/zinc/72/17/03/436721703.db2.gz ICNIDIBJKALOHS-UHFFFAOYSA-N 1 1 328.438 0.872 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000123944161 436744719 /nfs/dbraw/zinc/74/47/19/436744719.db2.gz NRLTYBAKDMHELS-BETUJISGSA-N 1 1 337.445 0.973 20 30 ECEDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153273087 436753116 /nfs/dbraw/zinc/75/31/16/436753116.db2.gz PUTHHRFPMXJCMX-NEPJUHHUSA-N 1 1 334.424 0.412 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000069401129 436770992 /nfs/dbraw/zinc/77/09/92/436770992.db2.gz RCQSOOFWQMVEBS-UHFFFAOYSA-N 1 1 343.431 0.910 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000273616743 436771770 /nfs/dbraw/zinc/77/17/70/436771770.db2.gz PNPJXXCIEQVTIL-UHFFFAOYSA-N 1 1 348.407 0.464 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000246275856 436777827 /nfs/dbraw/zinc/77/78/27/436777827.db2.gz ABSITWOBISKECQ-JKSUJKDBSA-N 1 1 327.469 0.424 20 30 ECEDMO C#CCN(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000274087275 436797111 /nfs/dbraw/zinc/79/71/11/436797111.db2.gz HXIMYKVDISLWEY-UHFFFAOYSA-N 1 1 342.447 0.796 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000131450024 436851763 /nfs/dbraw/zinc/85/17/63/436851763.db2.gz VFLUVSDPNRPQDV-AWEZNQCLSA-N 1 1 338.477 0.788 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000293238322 436859985 /nfs/dbraw/zinc/85/99/85/436859985.db2.gz CURLGKAARAXZCB-CQSZACIVSA-N 1 1 342.399 0.987 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)N(C)C ZINC000293422950 436876014 /nfs/dbraw/zinc/87/60/14/436876014.db2.gz QFEOLYJHDCREGQ-UHFFFAOYSA-N 1 1 344.415 0.398 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)N1CC[NH+](C)CC1 ZINC000293663998 436897307 /nfs/dbraw/zinc/89/73/07/436897307.db2.gz HXUFODIXTMFKMO-GOEBONIOSA-N 1 1 343.431 0.569 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000293723570 436903203 /nfs/dbraw/zinc/90/32/03/436903203.db2.gz FWILHWLSORQTAL-UHFFFAOYSA-N 1 1 344.458 0.324 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000293805337 436909789 /nfs/dbraw/zinc/90/97/89/436909789.db2.gz NSFRRFCWXCLOQZ-UHFFFAOYSA-N 1 1 329.353 0.967 20 30 ECEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295272412 436963178 /nfs/dbraw/zinc/96/31/78/436963178.db2.gz CIMOPWDFFUHNHN-SZMVWBNQSA-N 1 1 331.416 0.703 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)C1=O ZINC000281453659 436970722 /nfs/dbraw/zinc/97/07/22/436970722.db2.gz UUGAWVNDPUOYCY-HIFRSBDPSA-N 1 1 331.420 0.667 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000294080103 436932549 /nfs/dbraw/zinc/93/25/49/436932549.db2.gz WOMGHMARIZRLPT-GOSISDBHSA-N 1 1 342.399 0.426 20 30 ECEDMO C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000264422385 437027200 /nfs/dbraw/zinc/02/72/00/437027200.db2.gz JARXAJIKYOEFQP-UHFFFAOYSA-N 1 1 341.408 0.775 20 30 ECEDMO C=CCCCNC(=O)C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000283926369 437033221 /nfs/dbraw/zinc/03/32/21/437033221.db2.gz DYZGZLVLDHAEPJ-UHFFFAOYSA-N 1 1 338.452 0.176 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2OC)C1 ZINC000264475641 437034236 /nfs/dbraw/zinc/03/42/36/437034236.db2.gz HCBFMSRACRZZGM-CQSZACIVSA-N 1 1 333.388 0.783 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCS[C@H](C)C3)CC2)o1 ZINC000171691701 436985622 /nfs/dbraw/zinc/98/56/22/436985622.db2.gz LWNDXLXTLVERRB-GFCCVEGCSA-N 1 1 349.460 0.941 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCS[C@H](C)C3)CC2)o1 ZINC000171691701 436985625 /nfs/dbraw/zinc/98/56/25/436985625.db2.gz LWNDXLXTLVERRB-GFCCVEGCSA-N 1 1 349.460 0.941 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000296262022 436987919 /nfs/dbraw/zinc/98/79/19/436987919.db2.gz UBUOHXSYQKKAQK-MRXNPFEDSA-N 1 1 329.400 0.569 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000296860272 436998987 /nfs/dbraw/zinc/99/89/87/436998987.db2.gz KLJOSFUZUQMDAK-DLBZAZTESA-N 1 1 333.432 0.725 20 30 ECEDMO CC(=O)NC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000172182463 437002537 /nfs/dbraw/zinc/00/25/37/437002537.db2.gz VUQGEGSYKJXTAM-MRXNPFEDSA-N 1 1 330.388 0.724 20 30 ECEDMO CC(=O)NC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000172182463 437002541 /nfs/dbraw/zinc/00/25/41/437002541.db2.gz VUQGEGSYKJXTAM-MRXNPFEDSA-N 1 1 330.388 0.724 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCNC(=O)c2ccc(C)cc2O)CC1 ZINC000263967840 437007677 /nfs/dbraw/zinc/00/76/77/437007677.db2.gz TURWBTAFJULFGI-UHFFFAOYSA-N 1 1 343.427 0.988 20 30 ECEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000299158472 437058500 /nfs/dbraw/zinc/05/85/00/437058500.db2.gz QASXSJLSSZFDCL-XQQFMLRXSA-N 1 1 333.436 0.734 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)COc2ccc(C#N)cc2)CC1 ZINC000299025488 437058655 /nfs/dbraw/zinc/05/86/55/437058655.db2.gz OBFJSWNKMHIKSX-UHFFFAOYSA-N 1 1 330.388 0.217 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2COC[C@H]2O)c(OC)c1 ZINC000285480171 437079657 /nfs/dbraw/zinc/07/96/57/437079657.db2.gz IBAQGLJORRHMEF-BZUAXINKSA-N 1 1 337.416 0.855 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3cccc(C#N)c3)[C@@H]2C1 ZINC000285197770 437076049 /nfs/dbraw/zinc/07/60/49/437076049.db2.gz VRKPIYNFMWYHGF-HZPDHXFCSA-N 1 1 335.429 0.793 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000286106936 437089094 /nfs/dbraw/zinc/08/90/94/437089094.db2.gz STCREUMFAZWRGW-UHFFFAOYSA-N 1 1 345.447 0.354 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000286989872 437150820 /nfs/dbraw/zinc/15/08/20/437150820.db2.gz PKTYDYBQOXPXIZ-OAHLLOKOSA-N 1 1 339.403 0.723 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)n1C ZINC000265599216 437158372 /nfs/dbraw/zinc/15/83/72/437158372.db2.gz LOUWXBBMJSCFSR-UHFFFAOYSA-N 1 1 340.387 0.404 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000305071160 437159605 /nfs/dbraw/zinc/15/96/05/437159605.db2.gz TVBQGVFZDMMEQC-IRXDYDNUSA-N 1 1 345.443 0.945 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177379235 437181485 /nfs/dbraw/zinc/18/14/85/437181485.db2.gz ZTJZKRPKPJVMBB-SFHVURJKSA-N 1 1 337.512 0.999 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379235 437181490 /nfs/dbraw/zinc/18/14/90/437181490.db2.gz ZTJZKRPKPJVMBB-SFHVURJKSA-N 1 1 337.512 0.999 20 30 ECEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H](O)CN1CCOCC1 ZINC000177363769 437182013 /nfs/dbraw/zinc/18/20/13/437182013.db2.gz JYLKLOLSAYRBGG-QGZVFWFLSA-N 1 1 346.431 0.512 20 30 ECEDMO C#CCNc1nc(N(C)CCCCO)nc(N(C)CCCCO)[nH+]1 ZINC000287588643 437207441 /nfs/dbraw/zinc/20/74/41/437207441.db2.gz FBRZWDVYBAJIPP-UHFFFAOYSA-N 1 1 336.440 0.334 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000332444595 437222105 /nfs/dbraw/zinc/22/21/05/437222105.db2.gz XQRNTLFSMUFTFV-VKZRIFJHSA-N 1 1 347.463 0.871 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000332444595 437222108 /nfs/dbraw/zinc/22/21/08/437222108.db2.gz XQRNTLFSMUFTFV-VKZRIFJHSA-N 1 1 347.463 0.871 20 30 ECEDMO C[C@@H](C(=O)NC[C@H]1CCCN1S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000328666830 437249378 /nfs/dbraw/zinc/24/93/78/437249378.db2.gz CUWTZDXGNLTMPG-QWHCGFSZSA-N 1 1 332.470 0.003 20 30 ECEDMO CNC(=O)NC1CN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000328688912 437252605 /nfs/dbraw/zinc/25/26/05/437252605.db2.gz QFADBPPFQLRZSX-SCRDCRAPSA-N 1 1 326.441 0.464 20 30 ECEDMO CNC(=O)NC1CN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000328688912 437252607 /nfs/dbraw/zinc/25/26/07/437252607.db2.gz QFADBPPFQLRZSX-SCRDCRAPSA-N 1 1 326.441 0.464 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000328720418 437256683 /nfs/dbraw/zinc/25/66/83/437256683.db2.gz QOHHKMCPFFTPRJ-HNNXBMFYSA-N 1 1 338.452 0.564 20 30 ECEDMO C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1cn[nH]c1 ZINC000328775276 437262740 /nfs/dbraw/zinc/26/27/40/437262740.db2.gz CENMFHNZEDRPEK-GXTWGEPZSA-N 1 1 334.424 0.623 20 30 ECEDMO C[NH+](C)[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccsc1 ZINC000336923301 437312952 /nfs/dbraw/zinc/31/29/52/437312952.db2.gz SFTZJOFUJMBCOQ-QWHCGFSZSA-N 1 1 344.462 0.410 20 30 ECEDMO C=CCNC(=O)CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000181241716 437314100 /nfs/dbraw/zinc/31/41/00/437314100.db2.gz ZSBBVESIJJVLHO-XYPWUTKMSA-N 1 1 349.479 0.241 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000336944746 437317177 /nfs/dbraw/zinc/31/71/77/437317177.db2.gz MRNHZPJGDOMQQY-CQSZACIVSA-N 1 1 332.470 0.556 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000328858631 437272851 /nfs/dbraw/zinc/27/28/51/437272851.db2.gz DQSRNEJPMNRZME-KKUMJFAQSA-N 1 1 326.441 0.026 20 30 ECEDMO N#CCCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000181479178 437322115 /nfs/dbraw/zinc/32/21/15/437322115.db2.gz XWOOCQIPWYWTQU-MRXNPFEDSA-N 1 1 337.445 0.976 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000328967135 437294290 /nfs/dbraw/zinc/29/42/90/437294290.db2.gz NGLNDEADWIACMC-GJZGRUSLSA-N 1 1 345.399 0.877 20 30 ECEDMO O=C(CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)N1CCc2ccccc2C1 ZINC000328987723 437299370 /nfs/dbraw/zinc/29/93/70/437299370.db2.gz RMEZAGFUJFGLCC-QGZVFWFLSA-N 1 1 342.443 0.918 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000288257054 437300660 /nfs/dbraw/zinc/30/06/60/437300660.db2.gz YDPIXVPBHYPQFT-INIZCTEOSA-N 1 1 331.416 0.514 20 30 ECEDMO CN1CC[C@H](NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1=O ZINC000329275169 437344857 /nfs/dbraw/zinc/34/48/57/437344857.db2.gz JSQZEBAYPYYUGH-HOTGVXAUSA-N 1 1 330.432 0.990 20 30 ECEDMO CN1CC[C@H](NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1=O ZINC000329275169 437344861 /nfs/dbraw/zinc/34/48/61/437344861.db2.gz JSQZEBAYPYYUGH-HOTGVXAUSA-N 1 1 330.432 0.990 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000268067257 437361911 /nfs/dbraw/zinc/36/19/11/437361911.db2.gz CNXCCGFSSWQDAX-UONOGXRCSA-N 1 1 343.435 0.663 20 30 ECEDMO O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329413066 437365711 /nfs/dbraw/zinc/36/57/11/437365711.db2.gz CMAABNIBACYSGH-SOUVJXGZSA-N 1 1 334.424 0.692 20 30 ECEDMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000329133785 437323453 /nfs/dbraw/zinc/32/34/53/437323453.db2.gz ZEYNMNYYQSBBKA-IACUBPJLSA-N 1 1 344.481 0.397 20 30 ECEDMO Cc1nc(Cn2nnc(NC(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)c2C)no1 ZINC000329141418 437324577 /nfs/dbraw/zinc/32/45/77/437324577.db2.gz UGRIGQTUFYFVFM-ZJUUUORDSA-N 1 1 348.411 0.896 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000337075238 437326223 /nfs/dbraw/zinc/32/62/23/437326223.db2.gz RLFKIESXKRWYCN-KGLIPLIRSA-N 1 1 332.470 0.149 20 30 ECEDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000337102592 437333636 /nfs/dbraw/zinc/33/36/36/437333636.db2.gz XFLPDFLNPJDBCO-KGLIPLIRSA-N 1 1 330.454 0.262 20 30 ECEDMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000329713411 437404123 /nfs/dbraw/zinc/40/41/23/437404123.db2.gz RKZVUGCVJGMABZ-GXTWGEPZSA-N 1 1 344.481 0.564 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C[N@H+](C)CCCC)C1=O ZINC000289644706 437431487 /nfs/dbraw/zinc/43/14/87/437431487.db2.gz JMBVPKSMXIHFCN-LBPRGKRZSA-N 1 1 338.408 0.200 20 30 ECEDMO COC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC000329776330 437410834 /nfs/dbraw/zinc/41/08/34/437410834.db2.gz NZMQYQUZRCORAS-CABCVRRESA-N 1 1 329.441 0.604 20 30 ECEDMO COCC[NH+]1CCC(NC(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000329770231 437410878 /nfs/dbraw/zinc/41/08/78/437410878.db2.gz FVDPAGCMIXUDHK-CYBMUJFWSA-N 1 1 333.454 0.178 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1cncc(C#N)c1 ZINC000289449240 437410953 /nfs/dbraw/zinc/41/09/53/437410953.db2.gz AESMOCGCSIGSCV-UHFFFAOYSA-N 1 1 325.438 0.115 20 30 ECEDMO CN(CCCNS(=O)(=O)c1cncc(C#N)c1)CC[NH+](C)C ZINC000289449240 437410958 /nfs/dbraw/zinc/41/09/58/437410958.db2.gz AESMOCGCSIGSCV-UHFFFAOYSA-N 1 1 325.438 0.115 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)[C@H](C)N3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000329783668 437413461 /nfs/dbraw/zinc/41/34/61/437413461.db2.gz VHCAIDYFVVJJQV-KBPBESRZSA-N 1 1 348.451 0.426 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000329808716 437416711 /nfs/dbraw/zinc/41/67/11/437416711.db2.gz PMTRMBMBAJLFOY-HIFRSBDPSA-N 1 1 337.468 0.137 20 30 ECEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)CN2CCOCC2=O)CC1 ZINC000329865169 437422008 /nfs/dbraw/zinc/42/20/08/437422008.db2.gz UBLHXJFBHSKOMC-UHFFFAOYSA-N 1 1 326.441 0.218 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000279588753 437427661 /nfs/dbraw/zinc/42/76/61/437427661.db2.gz REBPWLWDLYRGNV-SFHVURJKSA-N 1 1 331.416 0.075 20 30 ECEDMO C=CCn1c([C@H]2COCCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000337837976 437380262 /nfs/dbraw/zinc/38/02/62/437380262.db2.gz DEKOXQMBRMLELD-UONOGXRCSA-N 1 1 335.408 0.073 20 30 ECEDMO C=CCn1c([C@H]2COCCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000337837976 437380268 /nfs/dbraw/zinc/38/02/68/437380268.db2.gz DEKOXQMBRMLELD-UONOGXRCSA-N 1 1 335.408 0.073 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCOCC(F)(F)C2)CC1 ZINC000329539938 437381574 /nfs/dbraw/zinc/38/15/74/437381574.db2.gz CRLYGKNHBHGDMX-UHFFFAOYSA-N 1 1 334.367 0.032 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c(Cl)c1 ZINC000183681129 437389108 /nfs/dbraw/zinc/38/91/08/437389108.db2.gz GHYOWBCLXBJLBE-UHFFFAOYSA-N 1 1 343.836 0.900 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c(Cl)c1 ZINC000183681129 437389110 /nfs/dbraw/zinc/38/91/10/437389110.db2.gz GHYOWBCLXBJLBE-UHFFFAOYSA-N 1 1 343.836 0.900 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(C(N)=O)CC2)CC1 ZINC000183826419 437392870 /nfs/dbraw/zinc/39/28/70/437392870.db2.gz OPPKKTUQJHMJKO-GFCCVEGCSA-N 1 1 347.444 0.064 20 30 ECEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000329665037 437399225 /nfs/dbraw/zinc/39/92/25/437399225.db2.gz PUDOMBWSLDCGRK-LLVKDONJSA-N 1 1 325.413 0.750 20 30 ECEDMO Cn1c2cc(O)c(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2n(C)c1=O ZINC000329685258 437400254 /nfs/dbraw/zinc/40/02/54/437400254.db2.gz YLLQXOXLRJAYBR-CQSZACIVSA-N 1 1 345.403 0.561 20 30 ECEDMO CC(C)N1C[C@H](NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000330265772 437476563 /nfs/dbraw/zinc/47/65/63/437476563.db2.gz ZQZKTBUOYYZIPN-ZIAGYGMSSA-N 1 1 325.457 0.135 20 30 ECEDMO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCS1(=O)=O ZINC000330300731 437481517 /nfs/dbraw/zinc/48/15/17/437481517.db2.gz IOJBJIFCFZKHNL-OLZOCXBDSA-N 1 1 329.466 0.894 20 30 ECEDMO C[C@@H]1CCS(=O)(=O)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000330336442 437485654 /nfs/dbraw/zinc/48/56/54/437485654.db2.gz SMKQNSHBBHFYGP-LLVKDONJSA-N 1 1 343.453 0.409 20 30 ECEDMO COCC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000339083183 437438814 /nfs/dbraw/zinc/43/88/14/437438814.db2.gz DDLTZTYPDHMNIN-UHFFFAOYSA-N 1 1 330.388 0.677 20 30 ECEDMO N#CCCOCC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000339079239 437440074 /nfs/dbraw/zinc/44/00/74/437440074.db2.gz HIMNVYHUXNOULI-CQSZACIVSA-N 1 1 331.438 0.043 20 30 ECEDMO N#CCCOCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000339079239 437440076 /nfs/dbraw/zinc/44/00/76/437440076.db2.gz HIMNVYHUXNOULI-CQSZACIVSA-N 1 1 331.438 0.043 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CCn2ncnc2C1)N1CC[NH+](C)CC1 ZINC000329971088 437440465 /nfs/dbraw/zinc/44/04/65/437440465.db2.gz VINXJYVEMVBYFQ-CQSZACIVSA-N 1 1 335.456 0.280 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](CCO)C[C@@H](C)O)c(OC)c1 ZINC000289926169 437450048 /nfs/dbraw/zinc/45/00/48/437450048.db2.gz UQOQXLMHEKZXQI-GDBMZVCRSA-N 1 1 339.432 0.839 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCn2cnnc2[C@H]1C)N1CC[NH+](C)CC1 ZINC000330069311 437450989 /nfs/dbraw/zinc/45/09/89/437450989.db2.gz WEBYPRSNEMKCGG-CABCVRRESA-N 1 1 349.483 0.841 20 30 ECEDMO C[C@@](O)(CNC(=O)Nc1ccc(C2CC2)nn1)C[NH+]1CCOCC1 ZINC000330119381 437457795 /nfs/dbraw/zinc/45/77/95/437457795.db2.gz ZTUABHZDQZNCME-MRXNPFEDSA-N 1 1 335.408 0.763 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C[N@@H+]1C1CC1 ZINC000330200161 437467730 /nfs/dbraw/zinc/46/77/30/437467730.db2.gz WJSGGZBXAOSLTP-UPJWGTAASA-N 1 1 329.466 0.892 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C[N@H+]1C1CC1 ZINC000330200161 437467734 /nfs/dbraw/zinc/46/77/34/437467734.db2.gz WJSGGZBXAOSLTP-UPJWGTAASA-N 1 1 329.466 0.892 20 30 ECEDMO Cn1nnc(CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000330210325 437468872 /nfs/dbraw/zinc/46/88/72/437468872.db2.gz CIIFZLSMRRBTPE-UHFFFAOYSA-N 1 1 329.408 0.484 20 30 ECEDMO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)N(CCC#N)CCOC)C[C@H]1C ZINC000330375513 437494987 /nfs/dbraw/zinc/49/49/87/437494987.db2.gz NWTDAMUZVQKUMG-KGLIPLIRSA-N 1 1 332.470 0.508 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(S(=O)(=O)N(CCC#N)CCOC)C[C@H]1C ZINC000330375513 437494989 /nfs/dbraw/zinc/49/49/89/437494989.db2.gz NWTDAMUZVQKUMG-KGLIPLIRSA-N 1 1 332.470 0.508 20 30 ECEDMO CNC(=O)[C@@H]1CCCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000330436472 437510214 /nfs/dbraw/zinc/51/02/14/437510214.db2.gz RBGATCLIRAUTMB-STQMWFEESA-N 1 1 339.440 0.748 20 30 ECEDMO CC(=O)N(C)C1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000330473908 437525138 /nfs/dbraw/zinc/52/51/38/437525138.db2.gz GRZQZIMNWCVIPZ-UHFFFAOYSA-N 1 1 326.441 0.565 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000360133718 437532003 /nfs/dbraw/zinc/53/20/03/437532003.db2.gz DACZXRNMMUSGPR-HNNXBMFYSA-N 1 1 339.484 0.345 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000340000361 437543549 /nfs/dbraw/zinc/54/35/49/437543549.db2.gz LJUFSCVDAMWPMW-MRXNPFEDSA-N 1 1 338.496 0.799 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188787307 437571691 /nfs/dbraw/zinc/57/16/91/437571691.db2.gz ZPOQIVWWPPRCSS-CQSZACIVSA-N 1 1 347.463 0.871 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188787307 437571693 /nfs/dbraw/zinc/57/16/93/437571693.db2.gz ZPOQIVWWPPRCSS-CQSZACIVSA-N 1 1 347.463 0.871 20 30 ECEDMO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCOCC1 ZINC000190979234 437644518 /nfs/dbraw/zinc/64/45/18/437644518.db2.gz DHPQBYIACCAILC-UHFFFAOYSA-N 1 1 338.429 0.805 20 30 ECEDMO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCOCC1 ZINC000190979234 437644522 /nfs/dbraw/zinc/64/45/22/437644522.db2.gz DHPQBYIACCAILC-UHFFFAOYSA-N 1 1 338.429 0.805 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000360973021 437652258 /nfs/dbraw/zinc/65/22/58/437652258.db2.gz RGILJFGCOPTTPU-DLBZAZTESA-N 1 1 335.496 0.706 20 30 ECEDMO C[C@H](CNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000331003454 437667406 /nfs/dbraw/zinc/66/74/06/437667406.db2.gz WTHDFMUHFCCYDX-JHJVBQTASA-N 1 1 328.413 0.493 20 30 ECEDMO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000331173584 437706847 /nfs/dbraw/zinc/70/68/47/437706847.db2.gz PJGFXISPYZIBFG-SONXGWPDSA-N 1 1 344.525 0.816 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000363004395 437764675 /nfs/dbraw/zinc/76/46/75/437764675.db2.gz AWGQHYKGRZENMR-SOUVJXGZSA-N 1 1 338.452 0.572 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000363004395 437764678 /nfs/dbraw/zinc/76/46/78/437764678.db2.gz AWGQHYKGRZENMR-SOUVJXGZSA-N 1 1 338.452 0.572 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000363004395 437764680 /nfs/dbraw/zinc/76/46/80/437764680.db2.gz AWGQHYKGRZENMR-SOUVJXGZSA-N 1 1 338.452 0.572 20 30 ECEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340969399 437765934 /nfs/dbraw/zinc/76/59/34/437765934.db2.gz RRLCEBYYQVNPHZ-CZUORRHYSA-N 1 1 344.415 0.782 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000344075858 437727898 /nfs/dbraw/zinc/72/78/98/437727898.db2.gz VKQGTJNONUAMHI-STQMWFEESA-N 1 1 329.466 0.471 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000344075858 437727899 /nfs/dbraw/zinc/72/78/99/437727899.db2.gz VKQGTJNONUAMHI-STQMWFEESA-N 1 1 329.466 0.471 20 30 ECEDMO CCN(C)C(=O)[C@H](C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331303779 437736977 /nfs/dbraw/zinc/73/69/77/437736977.db2.gz QQRUWJGKXXKHEU-ZDUSSCGKSA-N 1 1 327.473 0.383 20 30 ECEDMO C[N@H+](CCC#N)C[C@@H](O)Cn1cc(I)cn1 ZINC000331303026 437737569 /nfs/dbraw/zinc/73/75/69/437737569.db2.gz AIFRJXFPIRXZRA-SNVBAGLBSA-N 1 1 334.161 0.694 20 30 ECEDMO C[N@@H+](CCC#N)C[C@@H](O)Cn1cc(I)cn1 ZINC000331303026 437737573 /nfs/dbraw/zinc/73/75/73/437737573.db2.gz AIFRJXFPIRXZRA-SNVBAGLBSA-N 1 1 334.161 0.694 20 30 ECEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCCC#N)cc1 ZINC000344422268 437754116 /nfs/dbraw/zinc/75/41/16/437754116.db2.gz LTJSYQQBDZKKMH-UHFFFAOYSA-N 1 1 331.376 0.545 20 30 ECEDMO C[C@H](CCNC(=O)NCC(=O)NCC#N)[N@@H+](C)Cc1ccccc1 ZINC000345236335 437783523 /nfs/dbraw/zinc/78/35/23/437783523.db2.gz GPYXTUGYNJNRQQ-CQSZACIVSA-N 1 1 331.420 0.836 20 30 ECEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000347486425 437896908 /nfs/dbraw/zinc/89/69/08/437896908.db2.gz QQJPHCMTJVFHDH-UHFFFAOYSA-N 1 1 348.451 0.747 20 30 ECEDMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341819330 437902517 /nfs/dbraw/zinc/90/25/17/437902517.db2.gz RLRUHHUGVFXFOX-INIZCTEOSA-N 1 1 345.399 0.953 20 30 ECEDMO COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341819330 437902523 /nfs/dbraw/zinc/90/25/23/437902523.db2.gz RLRUHHUGVFXFOX-INIZCTEOSA-N 1 1 345.399 0.953 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000341996667 437937720 /nfs/dbraw/zinc/93/77/20/437937720.db2.gz LAJKXRJDVUVEKR-UHFFFAOYSA-N 1 1 346.431 0.748 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000416468540 437939897 /nfs/dbraw/zinc/93/98/97/437939897.db2.gz GLNWJPVAKPRTEK-GFCCVEGCSA-N 1 1 345.465 0.966 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000416468540 437939900 /nfs/dbraw/zinc/93/99/00/437939900.db2.gz GLNWJPVAKPRTEK-GFCCVEGCSA-N 1 1 345.465 0.966 20 30 ECEDMO Cn1ccnc(N2CC[NH+](CCOc3cccc(C#N)c3)CC2)c1=O ZINC000342078862 437962076 /nfs/dbraw/zinc/96/20/76/437962076.db2.gz RQIWVDYEDRHBCQ-UHFFFAOYSA-N 1 1 339.399 0.853 20 30 ECEDMO C=CCCn1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nn1 ZINC000424643790 437981691 /nfs/dbraw/zinc/98/16/91/437981691.db2.gz MTNRRXKMXPIGFY-CYBMUJFWSA-N 1 1 334.424 0.171 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371728966 437983710 /nfs/dbraw/zinc/98/37/10/437983710.db2.gz WSQWQXJIGJIBLW-KKUMJFAQSA-N 1 1 341.477 0.713 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000425910649 438049875 /nfs/dbraw/zinc/04/98/75/438049875.db2.gz XBORQZUVZZKEKP-JONQDZQNSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(CCC[N@H+]2CCCO[C@H](C)C2)C1=O ZINC000348618229 438080610 /nfs/dbraw/zinc/08/06/10/438080610.db2.gz YDKCYGDATMOFLO-KGLIPLIRSA-N 1 1 325.409 0.610 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000357856632 438084329 /nfs/dbraw/zinc/08/43/29/438084329.db2.gz SQTHGHIZGANQBS-AVOUXACISA-N 1 1 338.452 0.306 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000357902523 438095689 /nfs/dbraw/zinc/09/56/89/438095689.db2.gz AVPJUEZAECRCNO-OAHLLOKOSA-N 1 1 335.404 0.508 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000357902523 438095693 /nfs/dbraw/zinc/09/56/93/438095693.db2.gz AVPJUEZAECRCNO-OAHLLOKOSA-N 1 1 335.404 0.508 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372274639 438059154 /nfs/dbraw/zinc/05/91/54/438059154.db2.gz PWJUPBOYWWEAHD-QWHCGFSZSA-N 1 1 333.436 0.982 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372274639 438059159 /nfs/dbraw/zinc/05/91/59/438059159.db2.gz PWJUPBOYWWEAHD-QWHCGFSZSA-N 1 1 333.436 0.982 20 30 ECEDMO N#CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000372286809 438061678 /nfs/dbraw/zinc/06/16/78/438061678.db2.gz DNSBNKNQCWRSOR-GOSISDBHSA-N 1 1 342.443 0.889 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000430410019 438110698 /nfs/dbraw/zinc/11/06/98/438110698.db2.gz BHLFRIXNWBJDKM-JYJNAYRXSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000430410019 438110702 /nfs/dbraw/zinc/11/07/02/438110702.db2.gz BHLFRIXNWBJDKM-JYJNAYRXSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000430414938 438112427 /nfs/dbraw/zinc/11/24/27/438112427.db2.gz NVNYFUXKEIXOSE-HUUCEWRRSA-N 1 1 325.453 0.930 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1(CC#N)CC1 ZINC000430582835 438114002 /nfs/dbraw/zinc/11/40/02/438114002.db2.gz LYEUCPADLOTXES-AWEZNQCLSA-N 1 1 335.452 0.922 20 30 ECEDMO CC(C)(CCC#N)CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418214739 438120619 /nfs/dbraw/zinc/12/06/19/438120619.db2.gz XXMGWCXIRCFCFN-CQSZACIVSA-N 1 1 335.452 0.922 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC000373185388 438134240 /nfs/dbraw/zinc/13/42/40/438134240.db2.gz ZQIMERRSJAUBHN-MRXNPFEDSA-N 1 1 325.409 0.909 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)nn1CCC#N ZINC000349283753 438145907 /nfs/dbraw/zinc/14/59/07/438145907.db2.gz OYXOHDVWGYZENM-WCQYABFASA-N 1 1 344.419 0.785 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000366977657 438149536 /nfs/dbraw/zinc/14/95/36/438149536.db2.gz VFBSFOIVAUFRBO-KBPBESRZSA-N 1 1 344.481 0.650 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000366977657 438149540 /nfs/dbraw/zinc/14/95/40/438149540.db2.gz VFBSFOIVAUFRBO-KBPBESRZSA-N 1 1 344.481 0.650 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(CC(=O)N(CC)CC)CC2)C1=O ZINC000374162587 438191964 /nfs/dbraw/zinc/19/19/64/438191964.db2.gz MMKXVEKSFZCAID-MRXNPFEDSA-N 1 1 336.480 0.649 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(CC(=O)N(CC)CC)CC2)C1=O ZINC000374162587 438191965 /nfs/dbraw/zinc/19/19/65/438191965.db2.gz MMKXVEKSFZCAID-MRXNPFEDSA-N 1 1 336.480 0.649 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)C1=O ZINC000374162587 438191969 /nfs/dbraw/zinc/19/19/69/438191969.db2.gz MMKXVEKSFZCAID-MRXNPFEDSA-N 1 1 336.480 0.649 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[N@H+](CC(=O)N(CC)CC)CC2)C1=O ZINC000374162587 438191972 /nfs/dbraw/zinc/19/19/72/438191972.db2.gz MMKXVEKSFZCAID-MRXNPFEDSA-N 1 1 336.480 0.649 20 30 ECEDMO CN1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@@H]1C#N ZINC000373490724 438152560 /nfs/dbraw/zinc/15/25/60/438152560.db2.gz SWCOKBIQLKCRQN-ARFHVFGLSA-N 1 1 335.452 0.479 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000367131365 438169866 /nfs/dbraw/zinc/16/98/66/438169866.db2.gz QFCUUQDUQAWLDT-HUUCEWRRSA-N 1 1 344.481 0.509 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000349746773 438174320 /nfs/dbraw/zinc/17/43/20/438174320.db2.gz PYMZNTRCODLYDX-SJORKVTESA-N 1 1 325.416 0.603 20 30 ECEDMO C#CCCCS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000376314988 438276835 /nfs/dbraw/zinc/27/68/35/438276835.db2.gz RGVAELUESIONDK-GOOCMWNKSA-N 1 1 341.477 0.403 20 30 ECEDMO C#CCCCS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376314988 438276838 /nfs/dbraw/zinc/27/68/38/438276838.db2.gz RGVAELUESIONDK-GOOCMWNKSA-N 1 1 341.477 0.403 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)nc1 ZINC000377984564 438335664 /nfs/dbraw/zinc/33/56/64/438335664.db2.gz LIVNYWHFIQSQEG-GDBMZVCRSA-N 1 1 328.416 0.744 20 30 ECEDMO CCCn1nc2c(cc1=O)C[N@H+](CCC(=O)N(C)CCC#N)CC2 ZINC000368582271 438349158 /nfs/dbraw/zinc/34/91/58/438349158.db2.gz JVRYURQGTWQKEU-UHFFFAOYSA-N 1 1 331.420 0.774 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(C)=O ZINC000368670785 438364084 /nfs/dbraw/zinc/36/40/84/438364084.db2.gz FRHRCWXPZITQKE-QEJZJMRPSA-N 1 1 336.436 0.862 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000359362862 438419475 /nfs/dbraw/zinc/41/94/75/438419475.db2.gz RBURUWWQQCANEI-UHFFFAOYSA-N 1 1 337.468 0.100 20 30 ECEDMO CCC[N@H+]1CCCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000369513436 438486134 /nfs/dbraw/zinc/48/61/34/438486134.db2.gz NWEUETPMZYXMDP-NXVVXOECSA-N 1 1 349.435 0.640 20 30 ECEDMO C[NH+]1CCN(C(=O)Cn2cc(Nc3nccnc3C#N)cn2)CC1 ZINC000352641871 438452624 /nfs/dbraw/zinc/45/26/24/438452624.db2.gz ZBDASCYRXFZRIM-UHFFFAOYSA-N 1 1 326.364 0.062 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352675048 438459014 /nfs/dbraw/zinc/45/90/14/438459014.db2.gz CUPRLGSINMOLSN-HBNTYKKESA-N 1 1 337.342 0.879 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352675048 438459017 /nfs/dbraw/zinc/45/90/17/438459017.db2.gz CUPRLGSINMOLSN-HBNTYKKESA-N 1 1 337.342 0.879 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1C#N ZINC000369802582 438516087 /nfs/dbraw/zinc/51/60/87/438516087.db2.gz DMAWSCLGTPWDJU-KBPBESRZSA-N 1 1 342.399 0.785 20 30 ECEDMO N#Cc1cc(N2CC[NH2+][C@H](C(N)=O)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000442622405 438613342 /nfs/dbraw/zinc/61/33/42/438613342.db2.gz OOPQRLMUYJJPLE-ZDUSSCGKSA-N 1 1 326.316 0.278 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000410939597 438667539 /nfs/dbraw/zinc/66/75/39/438667539.db2.gz VKMSEEPZNXNFEI-AWEZNQCLSA-N 1 1 325.453 0.715 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000410939597 438667541 /nfs/dbraw/zinc/66/75/41/438667541.db2.gz VKMSEEPZNXNFEI-AWEZNQCLSA-N 1 1 325.453 0.715 20 30 ECEDMO COCCC[N@@H+](CCO)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000446066770 438668019 /nfs/dbraw/zinc/66/80/19/438668019.db2.gz CQQITTLRVJDHQN-INIZCTEOSA-N 1 1 340.468 0.010 20 30 ECEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@@H]1C ZINC000453710456 438690824 /nfs/dbraw/zinc/69/08/24/438690824.db2.gz DHCPCNLSNHENCX-KBPBESRZSA-N 1 1 344.415 0.605 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@@H]1C ZINC000453710456 438690826 /nfs/dbraw/zinc/69/08/26/438690826.db2.gz DHCPCNLSNHENCX-KBPBESRZSA-N 1 1 344.415 0.605 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1C#N ZINC000453717402 438690882 /nfs/dbraw/zinc/69/08/82/438690882.db2.gz FFUCLJFWPKPCPA-CQSZACIVSA-N 1 1 329.404 0.999 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)ccc1C#N ZINC000453717402 438690884 /nfs/dbraw/zinc/69/08/84/438690884.db2.gz FFUCLJFWPKPCPA-CQSZACIVSA-N 1 1 329.404 0.999 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C)c1 ZINC000453760800 438693733 /nfs/dbraw/zinc/69/37/33/438693733.db2.gz ZXYDGDDKHIMVOB-UHFFFAOYSA-N 1 1 345.447 0.805 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NCCCN(C)CC[NH+](C)C)c1 ZINC000453760800 438693734 /nfs/dbraw/zinc/69/37/34/438693734.db2.gz ZXYDGDDKHIMVOB-UHFFFAOYSA-N 1 1 345.447 0.805 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(F)c1 ZINC000453812800 438696339 /nfs/dbraw/zinc/69/63/39/438696339.db2.gz BAJFNQBGRGEETR-ZDUSSCGKSA-N 1 1 348.378 0.599 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000453827404 438697041 /nfs/dbraw/zinc/69/70/41/438697041.db2.gz XMMZFTBXVKMVGZ-HNNXBMFYSA-N 1 1 330.388 0.460 20 30 ECEDMO C[N@@H+]1CCN(c2cncc(C#N)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000497004160 438755931 /nfs/dbraw/zinc/75/59/31/438755931.db2.gz OXUDPSLMWDUPOU-CYBMUJFWSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2cncc(C#N)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000497004160 438755934 /nfs/dbraw/zinc/75/59/34/438755934.db2.gz OXUDPSLMWDUPOU-CYBMUJFWSA-N 1 1 332.408 0.993 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000451672447 438707383 /nfs/dbraw/zinc/70/73/83/438707383.db2.gz SLCIUDLKSMVQIK-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000451672447 438707387 /nfs/dbraw/zinc/70/73/87/438707387.db2.gz SLCIUDLKSMVQIK-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO C=CCC[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000456784754 438780564 /nfs/dbraw/zinc/78/05/64/438780564.db2.gz XRFZGYCZPGFWNQ-XHSDSOJGSA-N 1 1 337.464 0.763 20 30 ECEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NC2CCN(CC#N)CC2)C1 ZINC000588124823 438818798 /nfs/dbraw/zinc/81/87/98/438818798.db2.gz LMKFUQRVDFTUAP-ZBFHGGJFSA-N 1 1 347.463 0.033 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000559006859 438833657 /nfs/dbraw/zinc/83/36/57/438833657.db2.gz YPKNTDQTWZIXPF-UHFFFAOYSA-N 1 1 346.435 0.363 20 30 ECEDMO Cn1c2ncn(CC[N@H+]3CCC[C@H](CC#N)C3)c2c(=O)n(C)c1=O ZINC000595617128 438834056 /nfs/dbraw/zinc/83/40/56/438834056.db2.gz VAZIVXDGFJOIGW-GFCCVEGCSA-N 1 1 330.392 0.059 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595612872 438834309 /nfs/dbraw/zinc/83/43/09/438834309.db2.gz WCDSWKWNOKATBE-CVEARBPZSA-N 1 1 327.388 0.912 20 30 ECEDMO CCNc1nc(N2CCN(CCC#N)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000601262308 438835977 /nfs/dbraw/zinc/83/59/77/438835977.db2.gz ZLOKNFKGJITAET-UHFFFAOYSA-N 1 1 332.456 0.971 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588861371 438846929 /nfs/dbraw/zinc/84/69/29/438846929.db2.gz SONYMCUNOCGEJI-GJZGRUSLSA-N 1 1 345.399 0.613 20 30 ECEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000578199166 438905462 /nfs/dbraw/zinc/90/54/62/438905462.db2.gz YCWIJMRECKPWAZ-OLZOCXBDSA-N 1 1 330.454 0.166 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1)C1CC1 ZINC000563243310 438861075 /nfs/dbraw/zinc/86/10/75/438861075.db2.gz GREHUWQBRPPXEV-GJYPPUQNSA-N 1 1 340.427 0.996 20 30 ECEDMO COc1ccc(-n2cc(C[NH2+]C[C@H](O)CN(C)CCC#N)nn2)cc1 ZINC000577947810 438883476 /nfs/dbraw/zinc/88/34/76/438883476.db2.gz CSFXXRHACZCNDY-INIZCTEOSA-N 1 1 344.419 0.572 20 30 ECEDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)[C@H]2C1 ZINC000589929522 438893271 /nfs/dbraw/zinc/89/32/71/438893271.db2.gz JOTYXGLMPCPUJR-MFKMUULPSA-N 1 1 336.373 0.791 20 30 ECEDMO CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@H](C#N)C1 ZINC000578287064 438909869 /nfs/dbraw/zinc/90/98/69/438909869.db2.gz UOJIWBSBOTZRHW-UONOGXRCSA-N 1 1 333.392 0.234 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000590758623 438956178 /nfs/dbraw/zinc/95/61/78/438956178.db2.gz QBTQKSUZTOGXFZ-AEGPPILISA-N 1 1 340.383 0.526 20 30 ECEDMO Cn1c(NC[C@H]2CC[N@H+]2Cc2ccccc2)c(C#N)c(=O)n(C)c1=O ZINC000596552546 438976043 /nfs/dbraw/zinc/97/60/43/438976043.db2.gz NMTZNBQASJJZOQ-CQSZACIVSA-N 1 1 339.399 0.642 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)cc1 ZINC000596694212 438991174 /nfs/dbraw/zinc/99/11/74/438991174.db2.gz MOVTUWDJYNIBKJ-INIZCTEOSA-N 1 1 326.400 0.729 20 30 ECEDMO CN(Cc1ccco1)C(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000519769134 439061236 /nfs/dbraw/zinc/06/12/36/439061236.db2.gz AMOFEOOWWHBFGL-UHFFFAOYSA-N 1 1 330.392 0.980 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000566138162 439012693 /nfs/dbraw/zinc/01/26/93/439012693.db2.gz BXQUDODLVTVXFB-RCCFBDPRSA-N 1 1 347.507 0.705 20 30 ECEDMO CN(CC#CC[N@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@@H]1CCC(=O)N(C)C1 ZINC000580212899 439073336 /nfs/dbraw/zinc/07/33/36/439073336.db2.gz ADVQZRHXIXAUJA-HZPDHXFCSA-N 1 1 334.464 0.095 20 30 ECEDMO CN(CC#CC[N@@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@@H]1CCC(=O)N(C)C1 ZINC000580212899 439073340 /nfs/dbraw/zinc/07/33/40/439073340.db2.gz ADVQZRHXIXAUJA-HZPDHXFCSA-N 1 1 334.464 0.095 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000592183725 439172566 /nfs/dbraw/zinc/17/25/66/439172566.db2.gz FRXNGGDAANFWQZ-ZDUSSCGKSA-N 1 1 334.342 0.749 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000592183725 439172572 /nfs/dbraw/zinc/17/25/72/439172572.db2.gz FRXNGGDAANFWQZ-ZDUSSCGKSA-N 1 1 334.342 0.749 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000522010334 439139758 /nfs/dbraw/zinc/13/97/58/439139758.db2.gz AEOJQZPSVAUQAE-INIZCTEOSA-N 1 1 333.436 0.439 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000522010334 439139763 /nfs/dbraw/zinc/13/97/63/439139763.db2.gz AEOJQZPSVAUQAE-INIZCTEOSA-N 1 1 333.436 0.439 20 30 ECEDMO CN(C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878499 439149669 /nfs/dbraw/zinc/14/96/69/439149669.db2.gz XNDYARHIQMSSQZ-RDJZCZTQSA-N 1 1 325.453 0.446 20 30 ECEDMO CN(C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878499 439149676 /nfs/dbraw/zinc/14/96/76/439149676.db2.gz XNDYARHIQMSSQZ-RDJZCZTQSA-N 1 1 325.453 0.446 20 30 ECEDMO C[C@@H](NC(=O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1)C(=O)N(C)C ZINC000602908691 439156737 /nfs/dbraw/zinc/15/67/37/439156737.db2.gz HEULGMHWEGXKDZ-CYBMUJFWSA-N 1 1 343.431 0.726 20 30 ECEDMO COC(=O)CN(CC#N)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523131267 439163188 /nfs/dbraw/zinc/16/31/88/439163188.db2.gz QVZWNTNASLPUKA-OAHLLOKOSA-N 1 1 330.388 0.819 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000592187024 439174053 /nfs/dbraw/zinc/17/40/53/439174053.db2.gz YECVKMMQFQVNSZ-HZMBPMFUSA-N 1 1 346.353 0.938 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000592187024 439174059 /nfs/dbraw/zinc/17/40/59/439174059.db2.gz YECVKMMQFQVNSZ-HZMBPMFUSA-N 1 1 346.353 0.938 20 30 ECEDMO N#CCc1ccc(CS(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1 ZINC000567770100 439176850 /nfs/dbraw/zinc/17/68/50/439176850.db2.gz YTAKQGGDUBMQSK-UHFFFAOYSA-N 1 1 337.445 0.582 20 30 ECEDMO N#CCc1ccc(CS(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1 ZINC000567770100 439176856 /nfs/dbraw/zinc/17/68/56/439176856.db2.gz YTAKQGGDUBMQSK-UHFFFAOYSA-N 1 1 337.445 0.582 20 30 ECEDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000592388929 439218158 /nfs/dbraw/zinc/21/81/58/439218158.db2.gz PRMVRLUFHABDGI-AWEZNQCLSA-N 1 1 337.401 0.225 20 30 ECEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000603820046 439281832 /nfs/dbraw/zinc/28/18/32/439281832.db2.gz QEKGFYDPHYGYSY-CQSZACIVSA-N 1 1 344.415 0.558 20 30 ECEDMO C=CCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000489714584 439239879 /nfs/dbraw/zinc/23/98/79/439239879.db2.gz KTTQSCPDXKHJQT-AWEZNQCLSA-N 1 1 329.466 0.521 20 30 ECEDMO CCN1CC[N@@H+](C[C@@H]2CNc3c(C#N)cnn3C2)C[C@@H]1c1ncc[nH]1 ZINC000592510254 439243352 /nfs/dbraw/zinc/24/33/52/439243352.db2.gz DMVCGNKTGYSSAS-DZGCQCFKSA-N 1 1 340.435 0.898 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)n2)C1 ZINC000581823577 439254319 /nfs/dbraw/zinc/25/43/19/439254319.db2.gz OUNULVKKCZYCLI-ZDUSSCGKSA-N 1 1 329.404 0.986 20 30 ECEDMO CCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H](C)C#N ZINC000598359328 439256852 /nfs/dbraw/zinc/25/68/52/439256852.db2.gz KJLGARJOMLPBMP-GJZGRUSLSA-N 1 1 336.436 0.460 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCN1c1nccn2cnnc12 ZINC000598597764 439284543 /nfs/dbraw/zinc/28/45/43/439284543.db2.gz HQSMRHDMHXGBKU-ZIAGYGMSSA-N 1 1 343.435 0.936 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000490925818 439313205 /nfs/dbraw/zinc/31/32/05/439313205.db2.gz YKBFZXPNPBNSAV-AEGPPILISA-N 1 1 339.461 0.301 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000490925818 439313209 /nfs/dbraw/zinc/31/32/09/439313209.db2.gz YKBFZXPNPBNSAV-AEGPPILISA-N 1 1 339.461 0.301 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000491072463 439328772 /nfs/dbraw/zinc/32/87/72/439328772.db2.gz SGHUGDHKODAQLX-UHFFFAOYSA-N 1 1 340.471 0.806 20 30 ECEDMO COCC(=O)NC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000603882521 439288040 /nfs/dbraw/zinc/28/80/40/439288040.db2.gz TZMPXEUNMYIOEK-UHFFFAOYSA-N 1 1 344.415 0.401 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000490893615 439306554 /nfs/dbraw/zinc/30/65/54/439306554.db2.gz WCWRYWVXQHFURO-CYBMUJFWSA-N 1 1 341.367 0.743 20 30 ECEDMO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598728636 439307283 /nfs/dbraw/zinc/30/72/83/439307283.db2.gz DTYWLDBIUYIEBV-GOEBONIOSA-N 1 1 337.445 0.452 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCn1nnc2ccccc2c1=O ZINC000490893503 439307777 /nfs/dbraw/zinc/30/77/77/439307777.db2.gz UXWABUVJUHQFIR-CQSZACIVSA-N 1 1 340.383 0.822 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000490898854 439309314 /nfs/dbraw/zinc/30/93/14/439309314.db2.gz MJZYNHSJCHXXDI-CHWSQXEVSA-N 1 1 330.450 0.591 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000490898856 439310346 /nfs/dbraw/zinc/31/03/46/439310346.db2.gz MJZYNHSJCHXXDI-QWHCGFSZSA-N 1 1 330.450 0.591 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCC[N@H+]2C)n1 ZINC000491286365 439362289 /nfs/dbraw/zinc/36/22/89/439362289.db2.gz ICALGWCNSNBCRP-MRXNPFEDSA-N 1 1 333.436 0.769 20 30 ECEDMO C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000491306410 439364602 /nfs/dbraw/zinc/36/46/02/439364602.db2.gz MTJRPQXZPKJGLK-LBPRGKRZSA-N 1 1 330.388 0.653 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000491303879 439365753 /nfs/dbraw/zinc/36/57/53/439365753.db2.gz CXKQNYRLBILASA-UHFFFAOYSA-N 1 1 341.371 0.728 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000491303879 439365757 /nfs/dbraw/zinc/36/57/57/439365757.db2.gz CXKQNYRLBILASA-UHFFFAOYSA-N 1 1 341.371 0.728 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(C)c1C(F)(F)F ZINC000491164341 439339710 /nfs/dbraw/zinc/33/97/10/439339710.db2.gz AUXVCNLFAIENBJ-UHFFFAOYSA-N 1 1 345.325 0.449 20 30 ECEDMO N#Cc1ncn(CC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000569570105 439345608 /nfs/dbraw/zinc/34/56/08/439345608.db2.gz NBDRACBUFXGQSB-JKSUJKDBSA-N 1 1 336.399 0.883 20 30 ECEDMO CCOc1ccc(N(CCC#N)C(=O)Cn2nnnc2C[NH3+])cc1 ZINC000569720758 439357858 /nfs/dbraw/zinc/35/78/58/439357858.db2.gz RYEUBUMICJBEBR-UHFFFAOYSA-N 1 1 329.364 0.477 20 30 ECEDMO C[C@]1(CO)C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@]1(C)CO ZINC000528755182 439369018 /nfs/dbraw/zinc/36/90/18/439369018.db2.gz PMMUEMJIWCIGAX-NXHRZFHOSA-N 1 1 334.416 0.611 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000491385842 439376138 /nfs/dbraw/zinc/37/61/38/439376138.db2.gz SLXCHNKRCJFXFQ-HNNXBMFYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)c2ccc(F)cc2C)CC1 ZINC000491475466 439390341 /nfs/dbraw/zinc/39/03/41/439390341.db2.gz XBMQPKZYUPSVPR-QGZVFWFLSA-N 1 1 333.407 0.535 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000491516966 439397921 /nfs/dbraw/zinc/39/79/21/439397921.db2.gz WACGKYVKHXYVMY-ZDUSSCGKSA-N 1 1 334.420 0.311 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(=O)NC)c1C ZINC000491524488 439399401 /nfs/dbraw/zinc/39/94/01/439399401.db2.gz MBYWOXBMLATVEQ-UHFFFAOYSA-N 1 1 344.415 0.364 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)C[C@@](C)(C(C)C)C2=O)CC1 ZINC000491544514 439403782 /nfs/dbraw/zinc/40/37/82/439403782.db2.gz MGGDRMSOCIFFAE-SFHVURJKSA-N 1 1 333.432 0.827 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000593581064 439413087 /nfs/dbraw/zinc/41/30/87/439413087.db2.gz OLUJZHFLHVTMNA-UHFFFAOYSA-N 1 1 339.417 0.963 20 30 ECEDMO C[N@H+]1CCN(CCNS(=O)(=O)c2ccsc2C#N)CC1(C)C ZINC000593590360 439416196 /nfs/dbraw/zinc/41/61/96/439416196.db2.gz HHDPNNNLLPUAJV-UHFFFAOYSA-N 1 1 342.490 0.924 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CC)cc1 ZINC000491636562 439417601 /nfs/dbraw/zinc/41/76/01/439417601.db2.gz VMHHFRLDVYWOTF-OAHLLOKOSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CC)cc1 ZINC000491636562 439417604 /nfs/dbraw/zinc/41/76/04/439417604.db2.gz VMHHFRLDVYWOTF-OAHLLOKOSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000491662063 439421111 /nfs/dbraw/zinc/42/11/11/439421111.db2.gz BMLRUAFAZKUTQD-MRXNPFEDSA-N 1 1 334.464 0.986 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CCC[N@@H+]1CCC)[C@H]1CCS(=O)(=O)C1 ZINC000491670914 439423632 /nfs/dbraw/zinc/42/36/32/439423632.db2.gz PREQBOITQTYGRI-GJZGRUSLSA-N 1 1 341.477 0.693 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)CC1 ZINC000491670635 439424110 /nfs/dbraw/zinc/42/41/10/439424110.db2.gz ZFYHTOFQQLCVLI-ZIFCJYIRSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)CC1 ZINC000491670635 439424114 /nfs/dbraw/zinc/42/41/14/439424114.db2.gz ZFYHTOFQQLCVLI-ZIFCJYIRSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000491712566 439432366 /nfs/dbraw/zinc/43/23/66/439432366.db2.gz XJUPBBSJIBPTDA-QGZVFWFLSA-N 1 1 336.480 0.838 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC(Oc2cnccn2)CC1 ZINC000491740470 439440332 /nfs/dbraw/zinc/44/03/32/439440332.db2.gz YMAWAJVTSUYNLT-UHFFFAOYSA-N 1 1 331.420 0.985 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000491747542 439442098 /nfs/dbraw/zinc/44/20/98/439442098.db2.gz RTNUDDHTAQEVER-UHFFFAOYSA-N 1 1 344.415 0.847 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000491747542 439442100 /nfs/dbraw/zinc/44/21/00/439442100.db2.gz RTNUDDHTAQEVER-UHFFFAOYSA-N 1 1 344.415 0.847 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000491750452 439442281 /nfs/dbraw/zinc/44/22/81/439442281.db2.gz SFIWNZADGNCPFV-AWEZNQCLSA-N 1 1 329.466 0.550 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000491750452 439442283 /nfs/dbraw/zinc/44/22/83/439442283.db2.gz SFIWNZADGNCPFV-AWEZNQCLSA-N 1 1 329.466 0.550 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000491765551 439443556 /nfs/dbraw/zinc/44/35/56/439443556.db2.gz CKKCDWXEVRVHDA-UHFFFAOYSA-N 1 1 331.420 0.995 20 30 ECEDMO C#CCN1C(=O)C[C@@H](N2CC[NH+](Cc3cccc(C)c3)CC2)C1=O ZINC000491772477 439446331 /nfs/dbraw/zinc/44/63/31/439446331.db2.gz AMBREDJYVPZVQR-QGZVFWFLSA-N 1 1 325.412 0.873 20 30 ECEDMO CCC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000599266177 439408705 /nfs/dbraw/zinc/40/87/05/439408705.db2.gz ZXYQZVIDKZPMLN-GJZGRUSLSA-N 1 1 344.477 0.957 20 30 ECEDMO N#Cc1ccsc1N1CC[C@H](N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1=O ZINC000594025174 439510005 /nfs/dbraw/zinc/51/00/05/439510005.db2.gz CHBBUUROJKHIQT-MJBXVCDLSA-N 1 1 332.429 0.476 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599433311 439467896 /nfs/dbraw/zinc/46/78/96/439467896.db2.gz QMLKLKIYTBKBJY-GJZGRUSLSA-N 1 1 344.477 0.957 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599433311 439467901 /nfs/dbraw/zinc/46/79/01/439467901.db2.gz QMLKLKIYTBKBJY-GJZGRUSLSA-N 1 1 344.477 0.957 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000599558313 439504181 /nfs/dbraw/zinc/50/41/81/439504181.db2.gz HWJPRWAWEMJMSJ-MAUKXSAKSA-N 1 1 348.399 0.756 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCc2ccccc2OC)CC1 ZINC000491817817 439457113 /nfs/dbraw/zinc/45/71/13/439457113.db2.gz PEUCOBPSJKVMDZ-UHFFFAOYSA-N 1 1 329.444 0.995 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000491815043 439457132 /nfs/dbraw/zinc/45/71/32/439457132.db2.gz FGTLHOZDCBODML-MRXNPFEDSA-N 1 1 349.479 0.729 20 30 ECEDMO CCC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CC(=O)N(C)C1=O ZINC000599402471 439457363 /nfs/dbraw/zinc/45/73/63/439457363.db2.gz SPHKUPIBELGEIY-ZIAGYGMSSA-N 1 1 337.420 0.527 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000599692598 439538227 /nfs/dbraw/zinc/53/82/27/439538227.db2.gz KOOJSVAYHHZSBU-KGLIPLIRSA-N 1 1 344.481 0.256 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000599692598 439538232 /nfs/dbraw/zinc/53/82/32/439538232.db2.gz KOOJSVAYHHZSBU-KGLIPLIRSA-N 1 1 344.481 0.256 20 30 ECEDMO Cc1ccc(S(N)(=O)=O)c(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000536608194 439538730 /nfs/dbraw/zinc/53/87/30/439538730.db2.gz BDUIVXGZYWOCEP-UHFFFAOYSA-N 1 1 336.417 0.360 20 30 ECEDMO C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[NH+]1CCSCC1 ZINC000538255070 439542507 /nfs/dbraw/zinc/54/25/07/439542507.db2.gz QAPFJZZODMOQDF-LLVKDONJSA-N 1 1 336.465 0.692 20 30 ECEDMO CN1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cn2)CC1 ZINC000594439628 439559775 /nfs/dbraw/zinc/55/97/75/439559775.db2.gz SVLFEQHNCDLPFQ-MRXNPFEDSA-N 1 1 344.463 0.861 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)n(CCC#N)n1 ZINC000543705077 439562545 /nfs/dbraw/zinc/56/25/45/439562545.db2.gz LJSGHTCDQWUXFQ-UONOGXRCSA-N 1 1 344.419 0.596 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)n(CCC#N)n1 ZINC000532566928 439517216 /nfs/dbraw/zinc/51/72/16/439517216.db2.gz XTHUSNQLPUZYJW-FZMZJTMJSA-N 1 1 344.419 0.643 20 30 ECEDMO N#CCN1CCC(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000609340724 439567499 /nfs/dbraw/zinc/56/74/99/439567499.db2.gz BMGCSVVBYNOEJJ-MRXNPFEDSA-N 1 1 335.452 0.481 20 30 ECEDMO C[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000547331479 439573309 /nfs/dbraw/zinc/57/33/09/439573309.db2.gz REMLRHZSLLVKAV-LSDHHAIUSA-N 1 1 340.493 0.578 20 30 ECEDMO C[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000547331477 439573907 /nfs/dbraw/zinc/57/39/07/439573907.db2.gz REMLRHZSLLVKAV-GJZGRUSLSA-N 1 1 340.493 0.578 20 30 ECEDMO COC(=O)c1ccc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C#N)n1 ZINC000594556338 439576790 /nfs/dbraw/zinc/57/67/90/439576790.db2.gz PIPGCAQCJWJICY-AWEZNQCLSA-N 1 1 343.431 0.956 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000594793946 439613603 /nfs/dbraw/zinc/61/36/03/439613603.db2.gz WWOIMVGASOBUKO-QWHCGFSZSA-N 1 1 330.454 0.166 20 30 ECEDMO C[C@@H](CNC(=O)NC1CCN(CC#N)CC1)CN1CC[NH+](C)CC1 ZINC000610402024 439613905 /nfs/dbraw/zinc/61/39/05/439613905.db2.gz DCPCQUNDQWBDCR-HNNXBMFYSA-N 1 1 336.484 0.157 20 30 ECEDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000595194629 439672232 /nfs/dbraw/zinc/67/22/32/439672232.db2.gz RDSMOTPAAPLLMZ-CYBMUJFWSA-N 1 1 346.435 1.049 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cn2cnc(C#N)n2)C[C@H](C)O1 ZINC000610881959 439653067 /nfs/dbraw/zinc/65/30/67/439653067.db2.gz CGIOIUCGHZBDCX-MJBXVCDLSA-N 1 1 332.408 0.250 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Cn2cnc(C#N)n2)C[C@H](C)O1 ZINC000610881959 439653071 /nfs/dbraw/zinc/65/30/71/439653071.db2.gz CGIOIUCGHZBDCX-MJBXVCDLSA-N 1 1 332.408 0.250 20 30 ECEDMO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1cccc(C#N)c1 ZINC000587699683 439669928 /nfs/dbraw/zinc/66/99/28/439669928.db2.gz AVWYPCNMWFHSEF-BBRMVZONSA-N 1 1 343.431 0.097 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000595181203 439670124 /nfs/dbraw/zinc/67/01/24/439670124.db2.gz BOKDENRPYOEJOX-ZIAGYGMSSA-N 1 1 325.478 0.965 20 30 ECEDMO C[C@@H]1CN(C(=O)NC2CCN(CC#N)CC2)CC[N@H+]1CC(C)(C)O ZINC000614813176 439787575 /nfs/dbraw/zinc/78/75/75/439787575.db2.gz LPIOCUDUGHIESK-CQSZACIVSA-N 1 1 337.468 0.461 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1CCO ZINC000614956883 439791279 /nfs/dbraw/zinc/79/12/79/439791279.db2.gz FHQQFHUGYYBBMX-UHFFFAOYSA-N 1 1 330.388 0.412 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1CCO ZINC000614956883 439791280 /nfs/dbraw/zinc/79/12/80/439791280.db2.gz FHQQFHUGYYBBMX-UHFFFAOYSA-N 1 1 330.388 0.412 20 30 ECEDMO N#C[C@@]1(F)CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000615536828 439801918 /nfs/dbraw/zinc/80/19/18/439801918.db2.gz LFNSHKCRBWPNJM-DOMZBBRYSA-N 1 1 325.388 0.221 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615546790 439802301 /nfs/dbraw/zinc/80/23/01/439802301.db2.gz RRKRDZNACZDOES-CZUORRHYSA-N 1 1 339.415 0.576 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC000636738903 440017913 /nfs/dbraw/zinc/01/79/13/440017913.db2.gz FYJVLPDHBPWKME-CABCVRRESA-N 1 1 341.477 0.998 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658811229 440127476 /nfs/dbraw/zinc/12/74/76/440127476.db2.gz SDOXJVCVONHBIZ-NVXWUHKLSA-N 1 1 349.475 0.859 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000618900669 440172478 /nfs/dbraw/zinc/17/24/78/440172478.db2.gz OZODIPKICYWEON-VYDXJSESSA-N 1 1 331.416 0.997 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000618900669 440172487 /nfs/dbraw/zinc/17/24/87/440172487.db2.gz OZODIPKICYWEON-VYDXJSESSA-N 1 1 331.416 0.997 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000653520954 440198113 /nfs/dbraw/zinc/19/81/13/440198113.db2.gz JMUPDJAGYYJFDS-MQYQWHSLSA-N 1 1 325.409 0.607 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000653520954 440198115 /nfs/dbraw/zinc/19/81/15/440198115.db2.gz JMUPDJAGYYJFDS-MQYQWHSLSA-N 1 1 325.409 0.607 20 30 ECEDMO C=CCN(C(=O)NC1CC[NH+](CC(=O)NC)CC1)[C@@H](C)COC ZINC000663663157 440145667 /nfs/dbraw/zinc/14/56/67/440145667.db2.gz GHRTZLSDHHENPM-ZDUSSCGKSA-N 1 1 326.441 0.429 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000665538215 440488503 /nfs/dbraw/zinc/48/85/03/440488503.db2.gz GVVGSSALXGAZEZ-HOTGVXAUSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nn1 ZINC000644639896 440663788 /nfs/dbraw/zinc/66/37/88/440663788.db2.gz BQLAVGRYYSVRJI-OAHLLOKOSA-N 1 1 332.452 0.706 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)C1=O ZINC000639769372 440787542 /nfs/dbraw/zinc/78/75/42/440787542.db2.gz HGAWAEUOXFHUAL-HZPDHXFCSA-N 1 1 339.505 0.913 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000657123346 440964215 /nfs/dbraw/zinc/96/42/15/440964215.db2.gz XMSOICKEYRHORD-UHFFFAOYSA-N 1 1 337.445 0.785 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC001041739155 782091628 /nfs/dbraw/zinc/09/16/28/782091628.db2.gz XZVVAUIAYCGETP-KRWDZBQOSA-N 1 1 325.372 0.606 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC001041737781 782088714 /nfs/dbraw/zinc/08/87/14/782088714.db2.gz PYOVYYVAGIXBIJ-SFHVURJKSA-N 1 1 339.399 0.996 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000559437764 322219706 /nfs/dbraw/zinc/21/97/06/322219706.db2.gz ZKARLZFIQDCHQY-HNNXBMFYSA-N 1 1 343.431 0.934 20 30 ECEDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@@H](C)C1 ZINC000562337081 322270462 /nfs/dbraw/zinc/27/04/62/322270462.db2.gz KKKQJXUVFVRBHH-MELADBBJSA-N 1 1 331.424 0.521 20 30 ECEDMO C[NH+]1CCN(C(=O)Cc2noc(Cc3cccc(C#N)c3)n2)CC1 ZINC000562553455 322278011 /nfs/dbraw/zinc/27/80/11/322278011.db2.gz ZVZGZVLQEYCUCK-UHFFFAOYSA-N 1 1 325.372 0.849 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3[nH]cnc3C2)nc1 ZINC000563011214 322292705 /nfs/dbraw/zinc/29/27/05/322292705.db2.gz MGNLFXZGQOMTHD-LBPRGKRZSA-N 1 1 331.401 0.597 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3[nH]cnc3C2)nc1 ZINC000563011212 322292910 /nfs/dbraw/zinc/29/29/10/322292910.db2.gz MGNLFXZGQOMTHD-GFCCVEGCSA-N 1 1 331.401 0.597 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ncc1C#N ZINC000563382621 322312537 /nfs/dbraw/zinc/31/25/37/322312537.db2.gz IXFNWQVDKORMLH-BETUJISGSA-N 1 1 345.403 0.114 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ncc1C#N ZINC000563382621 322312539 /nfs/dbraw/zinc/31/25/39/322312539.db2.gz IXFNWQVDKORMLH-BETUJISGSA-N 1 1 345.403 0.114 20 30 ECEDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564085269 322361531 /nfs/dbraw/zinc/36/15/31/322361531.db2.gz JWAAYUMXMOYPBO-XJKSGUPXSA-N 1 1 326.404 0.896 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000580410601 322924586 /nfs/dbraw/zinc/92/45/86/322924586.db2.gz XXJZTNDNHGGCJG-INIZCTEOSA-N 1 1 334.351 0.665 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001041741011 782097629 /nfs/dbraw/zinc/09/76/29/782097629.db2.gz IBCWGZXPOAUMJF-GOSISDBHSA-N 1 1 333.432 0.930 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000174903096 527109192 /nfs/dbraw/zinc/10/91/92/527109192.db2.gz NQWDDLDPIDYVKM-ZDUSSCGKSA-N 1 1 333.363 0.987 20 30 ECEDMO COc1ccnc(N2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)n1 ZINC000329329017 546021553 /nfs/dbraw/zinc/02/15/53/546021553.db2.gz YARFQSMXJGTYOC-ZDUSSCGKSA-N 1 1 346.435 0.758 20 30 ECEDMO CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619532207 546339178 /nfs/dbraw/zinc/33/91/78/546339178.db2.gz RBXOTZKFSYRAKU-QAPCUYQASA-N 1 1 331.416 0.950 20 30 ECEDMO C[C@@H](C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)n1cnc(C#N)n1 ZINC000619611615 546348062 /nfs/dbraw/zinc/34/80/62/546348062.db2.gz RWPSYPFOKUQFOO-UONOGXRCSA-N 1 1 332.408 0.424 20 30 ECEDMO C[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C1([NH+]2CCOCC2)CCCC1 ZINC000619613722 546348169 /nfs/dbraw/zinc/34/81/69/546348169.db2.gz SSCKVOYXKOAQAJ-KBPBESRZSA-N 1 1 346.435 0.860 20 30 ECEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)nn1 ZINC000668146515 547596715 /nfs/dbraw/zinc/59/67/15/547596715.db2.gz JDPDVMMVZBZXOG-CZUORRHYSA-N 1 1 332.408 0.807 20 30 ECEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[N@H+](C)CCOC ZINC000668751163 547741168 /nfs/dbraw/zinc/74/11/68/547741168.db2.gz RJYRWPKRYZTMTJ-CABCVRRESA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCOCCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000679491369 549096878 /nfs/dbraw/zinc/09/68/78/549096878.db2.gz LARKNBFGTFVAJW-AWEZNQCLSA-N 1 1 326.441 0.431 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000683659427 549507491 /nfs/dbraw/zinc/50/74/91/549507491.db2.gz VIQYCEVILGYBAF-UHFFFAOYSA-N 1 1 345.447 0.638 20 30 ECEDMO Cn1nc(Br)cc1C=NNCCC[NH+]1CCOCC1 ZINC000799489867 578666133 /nfs/dbraw/zinc/66/61/33/578666133.db2.gz GDZRYMUQPXDHOL-UHFFFAOYSA-N 1 1 330.230 0.828 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)nc1 ZINC001078030028 782174765 /nfs/dbraw/zinc/17/47/65/782174765.db2.gz DHXXPFGHNTYGMC-DJIMGWMZSA-N 1 1 329.400 0.264 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)cn1 ZINC001078032383 782179907 /nfs/dbraw/zinc/17/99/07/782179907.db2.gz LHQLABPFZVUAHK-KBRIMQKVSA-N 1 1 329.400 0.264 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)CC1 ZINC000748817334 579329391 /nfs/dbraw/zinc/32/93/91/579329391.db2.gz MNWQSMYARNIAKE-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)CC1 ZINC000748817334 579329392 /nfs/dbraw/zinc/32/93/92/579329392.db2.gz MNWQSMYARNIAKE-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)OCCC[NH+]2CCOCC2)cc1 ZINC000750884677 579360230 /nfs/dbraw/zinc/36/02/30/579360230.db2.gz STSOXXFBVUTEEQ-UHFFFAOYSA-N 1 1 331.372 0.554 20 30 ECEDMO C#CCOCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000753377527 579399900 /nfs/dbraw/zinc/39/99/00/579399900.db2.gz HQZNIZCNBMEMCS-MSOLQXFVSA-N 1 1 345.443 0.818 20 30 ECEDMO C[C@H](NC(=O)CCNC(O)=C1N=CC=CC1=O)C(C)(C)C[NH+](C)C ZINC000754317998 579416342 /nfs/dbraw/zinc/41/63/42/579416342.db2.gz NLKRJNJAFQPRMN-SUQMRRJOSA-N 1 1 336.436 0.995 20 30 ECEDMO COc1ccnc(N=NCc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000755639517 579436332 /nfs/dbraw/zinc/43/63/32/579436332.db2.gz IBOVRWUUCCLUJQ-UHFFFAOYSA-N 1 1 328.380 0.473 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000730097270 578303279 /nfs/dbraw/zinc/30/32/79/578303279.db2.gz LTOTUOSOIVQSFW-INIZCTEOSA-N 1 1 328.416 0.632 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000730097270 578303280 /nfs/dbraw/zinc/30/32/80/578303280.db2.gz LTOTUOSOIVQSFW-INIZCTEOSA-N 1 1 328.416 0.632 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)c1cc(OC)ccc1OC ZINC000730103788 578303424 /nfs/dbraw/zinc/30/34/24/578303424.db2.gz DMDTZMZZQMGMNW-HOTGVXAUSA-N 1 1 332.400 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)c1cc(OC)ccc1OC ZINC000730103788 578303425 /nfs/dbraw/zinc/30/34/25/578303425.db2.gz DMDTZMZZQMGMNW-HOTGVXAUSA-N 1 1 332.400 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 ZINC000730274389 578304405 /nfs/dbraw/zinc/30/44/05/578304405.db2.gz PHQTZVCMZUCYRM-GJZGRUSLSA-N 1 1 342.399 0.477 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 ZINC000730274389 578304406 /nfs/dbraw/zinc/30/44/06/578304406.db2.gz PHQTZVCMZUCYRM-GJZGRUSLSA-N 1 1 342.399 0.477 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)NCC[NH+]1CCSCC1 ZINC000732884521 578330694 /nfs/dbraw/zinc/33/06/94/578330694.db2.gz KNUCWDIWMKEABB-UHFFFAOYSA-N 1 1 334.449 0.713 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000795084510 578604664 /nfs/dbraw/zinc/60/46/64/578604664.db2.gz DIVCMIKELLIKCD-GJZGRUSLSA-N 1 1 335.429 0.894 20 30 ECEDMO C#C[C@@H]([NH2+]Cc1c(C)nn(CCS(C)(=O)=O)c1C)[C@H]1CCCO1 ZINC000797983920 578637457 /nfs/dbraw/zinc/63/74/57/578637457.db2.gz LIFSQAXWPDLFIP-HZPDHXFCSA-N 1 1 339.461 0.815 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000798365563 578644736 /nfs/dbraw/zinc/64/47/36/578644736.db2.gz VBHHZZGKFOQPLH-OAHLLOKOSA-N 1 1 338.452 0.051 20 30 ECEDMO C[C@@H]1CN(C(=O)NCc2ccc(C#N)cn2)CC[N@H+]1CC(C)(C)O ZINC000780643041 578698282 /nfs/dbraw/zinc/69/82/82/578698282.db2.gz LCUSKQGDTRVGTB-CYBMUJFWSA-N 1 1 331.420 0.940 20 30 ECEDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780954372 578703650 /nfs/dbraw/zinc/70/36/50/578703650.db2.gz DPAULDNODSEKRN-DYVFJYSZSA-N 1 1 345.399 0.687 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000783307498 578741123 /nfs/dbraw/zinc/74/11/23/578741123.db2.gz LGOZDEWBFVXZME-UONOGXRCSA-N 1 1 331.482 0.959 20 30 ECEDMO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000785804342 578775833 /nfs/dbraw/zinc/77/58/33/578775833.db2.gz NCBHMGBQKYMLHU-OLZOCXBDSA-N 1 1 336.417 0.481 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000787913529 578820667 /nfs/dbraw/zinc/82/06/67/578820667.db2.gz VIRJMEKSJUHLKI-IKGGRYGDSA-N 1 1 349.475 0.912 20 30 ECEDMO N#Cc1c2c(cn(CN3CCC[C@@H]3C[NH+]3CCOCC3)c1=O)CCC2 ZINC000766638792 579090505 /nfs/dbraw/zinc/09/05/05/579090505.db2.gz XXZFJBRBIANVPG-MRXNPFEDSA-N 1 1 342.443 0.963 20 30 ECEDMO N#CCOc1ccc(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000773530488 579228751 /nfs/dbraw/zinc/22/87/51/579228751.db2.gz MARCBSQVWQEJNJ-INIZCTEOSA-N 1 1 328.416 0.638 20 30 ECEDMO CCCCCCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000774767520 579255939 /nfs/dbraw/zinc/25/59/39/579255939.db2.gz RWJWGFSMUHROLJ-HNNXBMFYSA-N 1 1 326.485 0.825 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N[C@@H](C(=O)NC)c1ccccc1)[C@H]1CCCO1 ZINC000775792335 579271324 /nfs/dbraw/zinc/27/13/24/579271324.db2.gz QKYSAINBUCYCBG-ZMSDIMECSA-N 1 1 329.400 0.360 20 30 ECEDMO Cc1nnc(CN2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)[nH]1 ZINC000775986310 579273796 /nfs/dbraw/zinc/27/37/96/579273796.db2.gz BUGNASPRVIRAJZ-INIZCTEOSA-N 1 1 326.404 0.836 20 30 ECEDMO N#Cc1ccc([C@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)C(N)=O)cc1 ZINC000776741532 579288818 /nfs/dbraw/zinc/28/88/18/579288818.db2.gz VKJBBJHWNXJZGL-CABCVRRESA-N 1 1 331.372 0.596 20 30 ECEDMO C#CCCCC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000760373919 579509068 /nfs/dbraw/zinc/50/90/68/579509068.db2.gz NZSCHLARUGJELQ-UHFFFAOYSA-N 1 1 349.475 0.867 20 30 ECEDMO CON=Cc1ccc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000761730859 579531441 /nfs/dbraw/zinc/53/14/41/579531441.db2.gz BMEHJZYVCWHLTF-UHFFFAOYSA-N 1 1 332.404 0.513 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)CC1 ZINC000762297856 579540063 /nfs/dbraw/zinc/54/00/63/579540063.db2.gz GIVAZJDESCMWDG-OAHLLOKOSA-N 1 1 329.448 0.855 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000744371310 579808879 /nfs/dbraw/zinc/80/88/79/579808879.db2.gz SBABVFVEFQEGON-UHFFFAOYSA-N 1 1 335.429 0.424 20 30 ECEDMO C#CCC[NH+]1CCC(NC(=O)CC2(CS(C)(=O)=O)CC2)CC1 ZINC000746892819 579845257 /nfs/dbraw/zinc/84/52/57/579845257.db2.gz XIOBAEKWDXCQLL-UHFFFAOYSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)COCCOC(C)C ZINC000747423807 579851999 /nfs/dbraw/zinc/85/19/99/579851999.db2.gz XOMSYEGZGTXEAH-HOTGVXAUSA-N 1 1 326.437 0.345 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)COCCOC(C)C ZINC000747423807 579852000 /nfs/dbraw/zinc/85/20/00/579852000.db2.gz XOMSYEGZGTXEAH-HOTGVXAUSA-N 1 1 326.437 0.345 20 30 ECEDMO C#CC[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000837935885 588965907 /nfs/dbraw/zinc/96/59/07/588965907.db2.gz KDICZMXPPZUYQY-KRWDZBQOSA-N 1 1 343.427 0.485 20 30 ECEDMO C#CC[C@@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)OC ZINC000837941655 588966418 /nfs/dbraw/zinc/96/64/18/588966418.db2.gz ICLYFMGRHNCCBY-QAPCUYQASA-N 1 1 330.384 0.305 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1=O ZINC000841690281 588998393 /nfs/dbraw/zinc/99/83/93/588998393.db2.gz MPHWOZZXBIRTQD-IHRRRGAJSA-N 1 1 334.420 0.478 20 30 ECEDMO C#CC[C@H]1NC(=O)N(CC[NH+]2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000842237718 589023942 /nfs/dbraw/zinc/02/39/42/589023942.db2.gz WUBXEZACLVLELE-MRXNPFEDSA-N 1 1 344.390 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](Nc2nc3ccccc3c(=O)n2CCO)C1 ZINC000895199928 586169119 /nfs/dbraw/zinc/16/91/19/586169119.db2.gz DXHQELGRTAYPJU-CQSZACIVSA-N 1 1 326.400 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](Nc2nc3ccccc3c(=O)n2CCO)C1 ZINC000895199928 586169121 /nfs/dbraw/zinc/16/91/21/586169121.db2.gz DXHQELGRTAYPJU-CQSZACIVSA-N 1 1 326.400 0.898 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000147724352 586200601 /nfs/dbraw/zinc/20/06/01/586200601.db2.gz NDUYXZQWFUSPHW-GFCCVEGCSA-N 1 1 328.415 0.109 20 30 ECEDMO C#CC1(O)CN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000891923976 586206123 /nfs/dbraw/zinc/20/61/23/586206123.db2.gz SQPQZZMNJPUXPE-UHFFFAOYSA-N 1 1 328.416 0.198 20 30 ECEDMO C=CCOCCCC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896235863 586230403 /nfs/dbraw/zinc/23/04/03/586230403.db2.gz MGKVCOQKFVZOPI-UHFFFAOYSA-N 1 1 338.452 0.481 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 ZINC000896237516 586231059 /nfs/dbraw/zinc/23/10/59/586231059.db2.gz TUNJDUQBTGUAPD-UHFFFAOYSA-N 1 1 330.392 0.012 20 30 ECEDMO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896562177 586256025 /nfs/dbraw/zinc/25/60/25/586256025.db2.gz FQZTWLBHHHYAQF-CZUORRHYSA-N 1 1 343.431 0.039 20 30 ECEDMO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896562177 586256030 /nfs/dbraw/zinc/25/60/30/586256030.db2.gz FQZTWLBHHHYAQF-CZUORRHYSA-N 1 1 343.431 0.039 20 30 ECEDMO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896562177 586256033 /nfs/dbraw/zinc/25/60/33/586256033.db2.gz FQZTWLBHHHYAQF-CZUORRHYSA-N 1 1 343.431 0.039 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)nc1 ZINC000897222792 586289347 /nfs/dbraw/zinc/28/93/47/586289347.db2.gz XTSZWYYKGDDWCY-JKSUJKDBSA-N 1 1 328.416 0.480 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000897441322 586322576 /nfs/dbraw/zinc/32/25/76/586322576.db2.gz CMXOYQPOPAPRJC-KBPBESRZSA-N 1 1 327.450 0.160 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000897441322 586322578 /nfs/dbraw/zinc/32/25/78/586322578.db2.gz CMXOYQPOPAPRJC-KBPBESRZSA-N 1 1 327.450 0.160 20 30 ECEDMO C[N@H+]1C[C@@H](CNC(=O)NCC(=O)NCC#N)[C@H](c2ccccc2)C1 ZINC000894817468 586413502 /nfs/dbraw/zinc/41/35/02/586413502.db2.gz QTULOFVDQZRBLD-CABCVRRESA-N 1 1 329.404 0.271 20 30 ECEDMO N#CCOc1cccc(CC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000899060486 586467688 /nfs/dbraw/zinc/46/76/88/586467688.db2.gz OWLOHVCIMRLGMQ-UHFFFAOYSA-N 1 1 345.399 0.696 20 30 ECEDMO N#CCOc1cccc(CC(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000899060486 586467690 /nfs/dbraw/zinc/46/76/90/586467690.db2.gz OWLOHVCIMRLGMQ-UHFFFAOYSA-N 1 1 345.399 0.696 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000899116115 586471220 /nfs/dbraw/zinc/47/12/20/586471220.db2.gz DQYMUCUDTJTZFI-HZPDHXFCSA-N 1 1 347.459 0.306 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000899116432 586471454 /nfs/dbraw/zinc/47/14/54/586471454.db2.gz MMFOBXRBDGOZLK-SFHVURJKSA-N 1 1 341.455 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC000899500925 586488908 /nfs/dbraw/zinc/48/89/08/586488908.db2.gz PXZFWIZKLXNHTR-AWEZNQCLSA-N 1 1 329.404 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC000899500925 586488911 /nfs/dbraw/zinc/48/89/11/586488911.db2.gz PXZFWIZKLXNHTR-AWEZNQCLSA-N 1 1 329.404 0.237 20 30 ECEDMO O=C(c1cccc(C#CCO)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000900841900 586669603 /nfs/dbraw/zinc/66/96/03/586669603.db2.gz DXBHDCYRQJDFTE-QGZVFWFLSA-N 1 1 328.412 0.825 20 30 ECEDMO COc1c[nH]c(CO)c(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1=O ZINC000902608534 586747680 /nfs/dbraw/zinc/74/76/80/586747680.db2.gz KVPMKWNLQKVGNJ-UHFFFAOYSA-N 1 1 334.372 0.714 20 30 ECEDMO N#Cc1ccccc1N1CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905927480 586923238 /nfs/dbraw/zinc/92/32/38/586923238.db2.gz PHAPMYJHABWXEZ-WMZOPIPTSA-N 1 1 331.416 0.583 20 30 ECEDMO C[C@](C#N)(NC(=O)COC(=O)CCCC[NH+]1CCOCC1)C1CC1 ZINC000803511267 587062331 /nfs/dbraw/zinc/06/23/31/587062331.db2.gz APIQIXFKWKBZGW-QGZVFWFLSA-N 1 1 337.420 0.841 20 30 ECEDMO C#CCCCNC(=O)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000806224524 587091365 /nfs/dbraw/zinc/09/13/65/587091365.db2.gz KPLUIVCSDZKVKM-HOTGVXAUSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000806917095 587111752 /nfs/dbraw/zinc/11/17/52/587111752.db2.gz YLQSIVOOSKYWKI-CALCHBBNSA-N 1 1 348.491 0.533 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCCO1 ZINC000809303802 587173225 /nfs/dbraw/zinc/17/32/25/587173225.db2.gz BNPRNMXEEPMEEN-PMPSAXMXSA-N 1 1 335.448 0.378 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1CCCO1 ZINC000809305093 587173553 /nfs/dbraw/zinc/17/35/53/587173553.db2.gz XHQJMOWPBWZWFO-IKGGRYGDSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1cc(C#N)ccc1F)[C@H]1C[N@H+](C)CCO1 ZINC000809441039 587177917 /nfs/dbraw/zinc/17/79/17/587177917.db2.gz OQUREZWOKSJBTL-XHDPSFHLSA-N 1 1 348.378 0.149 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1cc(C#N)ccc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000809441039 587177918 /nfs/dbraw/zinc/17/79/18/587177918.db2.gz OQUREZWOKSJBTL-XHDPSFHLSA-N 1 1 348.378 0.149 20 30 ECEDMO N#Cc1ccsc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000815507228 587292218 /nfs/dbraw/zinc/29/22/18/587292218.db2.gz ZRYZVPBHEQTYEU-NEPJUHHUSA-N 1 1 334.401 0.538 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000815704961 587296507 /nfs/dbraw/zinc/29/65/07/587296507.db2.gz USPSETIMCRJBOP-WFASDCNBSA-N 1 1 345.374 0.939 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000815703585 587296623 /nfs/dbraw/zinc/29/66/23/587296623.db2.gz INYAYUYAHZEDML-ZFWWWQNUSA-N 1 1 327.384 0.800 20 30 ECEDMO CON=C(C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1)c1csc(N)n1 ZINC000822489925 587661958 /nfs/dbraw/zinc/66/19/58/587661958.db2.gz KDBDYVACEXEKSS-MWLCHTKSSA-N 1 1 341.412 0.721 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cn1 ZINC000822550668 587665585 /nfs/dbraw/zinc/66/55/85/587665585.db2.gz HECLWANUPUWAQM-SJORKVTESA-N 1 1 341.415 0.465 20 30 ECEDMO CCc1ccc(C#CC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000825291724 587929541 /nfs/dbraw/zinc/92/95/41/587929541.db2.gz AZXBIQZGAMLSAA-UHFFFAOYSA-N 1 1 327.428 0.833 20 30 ECEDMO C[N@@H+](CCCSCC#N)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000825923662 587973329 /nfs/dbraw/zinc/97/33/29/587973329.db2.gz QLWAOLMWKVDCKE-UHFFFAOYSA-N 1 1 335.441 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1ccc(S(=O)(=O)NC)cc1 ZINC000826968574 588092805 /nfs/dbraw/zinc/09/28/05/588092805.db2.gz QCWOIFOAVKPTBL-INIZCTEOSA-N 1 1 349.456 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(S(=O)(=O)NC)cc1 ZINC000826968574 588092807 /nfs/dbraw/zinc/09/28/07/588092807.db2.gz QCWOIFOAVKPTBL-INIZCTEOSA-N 1 1 349.456 0.351 20 30 ECEDMO C#CC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000829810840 588342986 /nfs/dbraw/zinc/34/29/86/588342986.db2.gz UQEOVISQJKHYCU-INIZCTEOSA-N 1 1 327.432 0.861 20 30 ECEDMO C#CC1CC[NH+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000830333933 588368643 /nfs/dbraw/zinc/36/86/43/588368643.db2.gz QBUTZTZUZOZETM-UHFFFAOYSA-N 1 1 346.431 0.864 20 30 ECEDMO N#CCn1c(=O)c2ccccc2nc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847041485 589233567 /nfs/dbraw/zinc/23/35/67/589233567.db2.gz BEAMDEJZXLOALQ-UONOGXRCSA-N 1 1 339.399 0.171 20 30 ECEDMO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(CCC(=O)OCC)C2=O)C1 ZINC000848494238 589298249 /nfs/dbraw/zinc/29/82/49/589298249.db2.gz PGSZTHXLOWIEPR-GUYCJALGSA-N 1 1 335.404 0.943 20 30 ECEDMO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(CCC(=O)OCC)C2=O)C1 ZINC000848494238 589298251 /nfs/dbraw/zinc/29/82/51/589298251.db2.gz PGSZTHXLOWIEPR-GUYCJALGSA-N 1 1 335.404 0.943 20 30 ECEDMO COC(=O)CCN1CC[C@@H]([N@H+](C)C[C@@H](O)c2cccc(C#N)c2)C1=O ZINC000852211100 589451137 /nfs/dbraw/zinc/45/11/37/589451137.db2.gz OVDCIQUIENVNJI-HZPDHXFCSA-N 1 1 345.399 0.687 20 30 ECEDMO COC(=O)CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)C1=O ZINC000852211100 589451138 /nfs/dbraw/zinc/45/11/38/589451138.db2.gz OVDCIQUIENVNJI-HZPDHXFCSA-N 1 1 345.399 0.687 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000852698713 589506997 /nfs/dbraw/zinc/50/69/97/589506997.db2.gz NWLXZGMEBVXFCA-INIZCTEOSA-N 1 1 334.464 0.000 20 30 ECEDMO C#CCC[N@H+](CCOC)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000852751921 589510254 /nfs/dbraw/zinc/51/02/54/589510254.db2.gz OYLOMBVCLHALBW-UHFFFAOYSA-N 1 1 345.447 0.487 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000853719834 589556664 /nfs/dbraw/zinc/55/66/64/589556664.db2.gz RLFXUQHKYUHMKJ-AWEZNQCLSA-N 1 1 338.452 0.219 20 30 ECEDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000854643896 589597710 /nfs/dbraw/zinc/59/77/10/589597710.db2.gz ZWRFMMDGSIUKBL-IXDOHACOSA-N 1 1 329.400 0.913 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](O)(Cc2nc(CC)no2)C1 ZINC000856707041 589670936 /nfs/dbraw/zinc/67/09/36/589670936.db2.gz KVOULBRUTKDHCU-KSSFIOAISA-N 1 1 346.431 0.626 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](O)(Cc2nc(CC)no2)C1 ZINC000856707041 589670937 /nfs/dbraw/zinc/67/09/37/589670937.db2.gz KVOULBRUTKDHCU-KSSFIOAISA-N 1 1 346.431 0.626 20 30 ECEDMO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859960059 589731595 /nfs/dbraw/zinc/73/15/95/589731595.db2.gz HZXUCRZLROXLDN-TXEJJXNPSA-N 1 1 325.372 0.616 20 30 ECEDMO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859960059 589731598 /nfs/dbraw/zinc/73/15/98/589731598.db2.gz HZXUCRZLROXLDN-TXEJJXNPSA-N 1 1 325.372 0.616 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000860197620 589751430 /nfs/dbraw/zinc/75/14/30/589751430.db2.gz XNDJAHWYISBEIU-ZBFHGGJFSA-N 1 1 337.445 0.853 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC(c1ccnn1C)c1ccnn1C ZINC000858493536 589752837 /nfs/dbraw/zinc/75/28/37/589752837.db2.gz XDLXBZYNBSPDIA-UHFFFAOYSA-N 1 1 343.435 0.497 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000866675570 589756977 /nfs/dbraw/zinc/75/69/77/589756977.db2.gz OKZQQUMVODMZPY-KBPBESRZSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000866675570 589756979 /nfs/dbraw/zinc/75/69/79/589756979.db2.gz OKZQQUMVODMZPY-KBPBESRZSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000859217904 589808724 /nfs/dbraw/zinc/80/87/24/589808724.db2.gz HQABQMJRDLNQIQ-LSDHHAIUSA-N 1 1 331.372 0.824 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000859217904 589808726 /nfs/dbraw/zinc/80/87/26/589808726.db2.gz HQABQMJRDLNQIQ-LSDHHAIUSA-N 1 1 331.372 0.824 20 30 ECEDMO CCN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000867946526 589864556 /nfs/dbraw/zinc/86/45/56/589864556.db2.gz HPSQLVWIJWZMMH-GOEBONIOSA-N 1 1 347.440 0.781 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868819221 589928999 /nfs/dbraw/zinc/92/89/99/589928999.db2.gz RDQMVNGFKMUNFT-MRXNPFEDSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000862197696 589931197 /nfs/dbraw/zinc/93/11/97/589931197.db2.gz PNAUVYLSSMTOJT-AWEZNQCLSA-N 1 1 341.371 0.669 20 30 ECEDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1c(C)cccc1C#N ZINC000871808274 590087646 /nfs/dbraw/zinc/08/76/46/590087646.db2.gz XPLGNFBDRSBXNS-ZDUSSCGKSA-N 1 1 337.401 0.392 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000872492944 590121169 /nfs/dbraw/zinc/12/11/69/590121169.db2.gz MEOXJHUQHSEPLH-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000872492944 590121170 /nfs/dbraw/zinc/12/11/70/590121170.db2.gz MEOXJHUQHSEPLH-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H](O)c1c[nH]cn1 ZINC000865040549 590121267 /nfs/dbraw/zinc/12/12/67/590121267.db2.gz SDCVDERYZLPZDP-MRXNPFEDSA-N 1 1 327.388 0.905 20 30 ECEDMO C[NH+]=C(NCCN1CCOCC1)NCc1nc2cccc(C)c2[nH]1 ZINC000120456488 590135703 /nfs/dbraw/zinc/13/57/03/590135703.db2.gz ZNKSGTKNCAINLP-UHFFFAOYSA-N 1 1 330.436 0.869 20 30 ECEDMO C=C(Cl)C[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000865301798 590138377 /nfs/dbraw/zinc/13/83/77/590138377.db2.gz PGRWOVCTXNLBDN-RYUDHWBXSA-N 1 1 342.827 0.637 20 30 ECEDMO Cc1ccn(CN2CC[NH+](CCc3cnccn3)CC2)c(=O)c1C#N ZINC000872700892 590142930 /nfs/dbraw/zinc/14/29/30/590142930.db2.gz XVCBZFNHRNVPTR-UHFFFAOYSA-N 1 1 338.415 0.636 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000872879216 590171524 /nfs/dbraw/zinc/17/15/24/590171524.db2.gz VPCBBMJIOCSWIO-UHFFFAOYSA-N 1 1 346.435 0.363 20 30 ECEDMO N#Cc1cc(F)cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000873718177 590198313 /nfs/dbraw/zinc/19/83/13/590198313.db2.gz LMZQYSJPNDRZBQ-LSDHHAIUSA-N 1 1 346.362 0.615 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000875065475 590267164 /nfs/dbraw/zinc/26/71/64/590267164.db2.gz DWMSQJMKYCAPDQ-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000875118051 590272799 /nfs/dbraw/zinc/27/27/99/590272799.db2.gz PPSNLVVQSIXBJX-INIZCTEOSA-N 1 1 331.416 0.389 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000875139389 590274919 /nfs/dbraw/zinc/27/49/19/590274919.db2.gz ZHDMLSXWOYDDEY-HOTGVXAUSA-N 1 1 337.464 0.768 20 30 ECEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)c1ccccc1 ZINC000879537142 590321752 /nfs/dbraw/zinc/32/17/52/590321752.db2.gz STIOTVOIFWACCL-JTDSTZFVSA-N 1 1 339.395 0.974 20 30 ECEDMO CN1CC(=O)N(CC[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000879586263 590326266 /nfs/dbraw/zinc/32/62/66/590326266.db2.gz AQEAJWVXQWLASJ-UHFFFAOYSA-N 1 1 327.388 0.574 20 30 ECEDMO COCC[NH+]1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000876284670 590371164 /nfs/dbraw/zinc/37/11/64/590371164.db2.gz VWNSKBUQAUVICD-QGZVFWFLSA-N 1 1 328.416 0.999 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](CC)[C@@H](CO)c2ccccc2)CC1 ZINC000880461625 590394442 /nfs/dbraw/zinc/39/44/42/590394442.db2.gz LDKXPPVODPTZJK-SFHVURJKSA-N 1 1 329.444 0.819 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CC)[C@@H](CO)c2ccccc2)CC1 ZINC000880461625 590394444 /nfs/dbraw/zinc/39/44/44/590394444.db2.gz LDKXPPVODPTZJK-SFHVURJKSA-N 1 1 329.444 0.819 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000876744435 590408018 /nfs/dbraw/zinc/40/80/18/590408018.db2.gz SPNZCNSGINFKRX-RYRKJORJSA-N 1 1 340.427 0.724 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000876744435 590408020 /nfs/dbraw/zinc/40/80/20/590408020.db2.gz SPNZCNSGINFKRX-RYRKJORJSA-N 1 1 340.427 0.724 20 30 ECEDMO C[C@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCS(=O)(=O)C1 ZINC000876911115 590425865 /nfs/dbraw/zinc/42/58/65/590425865.db2.gz VIPXGPYEXRJJLM-BLLLJJGKSA-N 1 1 347.440 0.638 20 30 ECEDMO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876960526 590429447 /nfs/dbraw/zinc/42/94/47/590429447.db2.gz FJGMLAHKENBQFO-GOSISDBHSA-N 1 1 343.475 0.745 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878050347 590494586 /nfs/dbraw/zinc/49/45/86/590494586.db2.gz UHAQIISCDUXCLY-QGZVFWFLSA-N 1 1 349.475 0.329 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000878315133 590514773 /nfs/dbraw/zinc/51/47/73/590514773.db2.gz GVTPXCYZBULBBZ-QLFBSQMISA-N 1 1 327.450 0.029 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785095 590542106 /nfs/dbraw/zinc/54/21/06/590542106.db2.gz LPCACHZTPBWSKU-UKRRQHHQSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785095 590542108 /nfs/dbraw/zinc/54/21/08/590542108.db2.gz LPCACHZTPBWSKU-UKRRQHHQSA-N 1 1 344.415 0.422 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879366814 590584005 /nfs/dbraw/zinc/58/40/05/590584005.db2.gz VUYZEJWKWWWBBN-WMLDXEAASA-N 1 1 342.395 0.351 20 30 ECEDMO C=C(C)C[C@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000883283208 590611111 /nfs/dbraw/zinc/61/11/11/590611111.db2.gz VCVZXTZFULUOKW-HUUCEWRRSA-N 1 1 340.468 0.555 20 30 ECEDMO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N(C)C[C@H](C)C#N)cc1 ZINC000883647876 590641596 /nfs/dbraw/zinc/64/15/96/590641596.db2.gz HJVASXKTCGHTCB-CJNGLKHVSA-N 1 1 344.415 0.786 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCN(C)S(=O)(=O)CC)C1 ZINC000884081810 590735659 /nfs/dbraw/zinc/73/56/59/590735659.db2.gz KXGBAFVVQPKQHZ-CQSZACIVSA-N 1 1 344.481 0.055 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCN(C)S(=O)(=O)CC)C1 ZINC000884081810 590735661 /nfs/dbraw/zinc/73/56/61/590735661.db2.gz KXGBAFVVQPKQHZ-CQSZACIVSA-N 1 1 344.481 0.055 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886043334 590788674 /nfs/dbraw/zinc/78/86/74/590788674.db2.gz AFGARMRKSCZJFM-JKSUJKDBSA-N 1 1 334.464 0.670 20 30 ECEDMO COCC[N@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000886089919 590793806 /nfs/dbraw/zinc/79/38/06/590793806.db2.gz MNDWDZSDTRRZCJ-KGLIPLIRSA-N 1 1 330.450 0.567 20 30 ECEDMO COCC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000886089919 590793813 /nfs/dbraw/zinc/79/38/13/590793813.db2.gz MNDWDZSDTRRZCJ-KGLIPLIRSA-N 1 1 330.450 0.567 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000884278072 590794381 /nfs/dbraw/zinc/79/43/81/590794381.db2.gz BSMARFBLKAVIGT-GJZGRUSLSA-N 1 1 335.379 0.745 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884312976 590802638 /nfs/dbraw/zinc/80/26/38/590802638.db2.gz SMPOMJQTMSJPNS-MJBXVCDLSA-N 1 1 327.425 0.001 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884312976 590802640 /nfs/dbraw/zinc/80/26/40/590802640.db2.gz SMPOMJQTMSJPNS-MJBXVCDLSA-N 1 1 327.425 0.001 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886210053 590814404 /nfs/dbraw/zinc/81/44/04/590814404.db2.gz DEQPKCCSFGHTET-IUODEOHRSA-N 1 1 336.417 0.403 20 30 ECEDMO N#Cc1cccc(OCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000889774446 591092862 /nfs/dbraw/zinc/09/28/62/591092862.db2.gz OUVAWXFYXLOOQI-IAGOWNOFSA-N 1 1 329.400 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)C1 ZINC000890365761 591152209 /nfs/dbraw/zinc/15/22/09/591152209.db2.gz YKTUGBGEJOQOEC-RLFYNMQTSA-N 1 1 349.431 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)C1 ZINC000890365761 591152211 /nfs/dbraw/zinc/15/22/11/591152211.db2.gz YKTUGBGEJOQOEC-RLFYNMQTSA-N 1 1 349.431 0.305 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946612867 611364018 /nfs/dbraw/zinc/36/40/18/611364018.db2.gz XHEYPHWKTBBNFM-HRCADAONSA-N 1 1 345.443 0.718 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C ZINC000948010805 611383616 /nfs/dbraw/zinc/38/36/16/611383616.db2.gz DGBHBPYNFBMVPN-KBPBESRZSA-N 1 1 336.436 0.816 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@@H]2C1 ZINC000946664539 611401229 /nfs/dbraw/zinc/40/12/29/611401229.db2.gz XPZVXXLXFAQVME-GASCZTMLSA-N 1 1 346.431 0.695 20 30 ECEDMO C#CCN(C(=O)C(=O)N[C@H]1CCCc2cn[nH]c21)C1CC[NH+](C)CC1 ZINC000930220379 611401869 /nfs/dbraw/zinc/40/18/69/611401869.db2.gz FIPVMOQULWJOES-HNNXBMFYSA-N 1 1 343.431 0.459 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC[C@@H]2C1 ZINC000946667800 611403727 /nfs/dbraw/zinc/40/37/27/611403727.db2.gz HQJYPOJIXUBYJS-IXDOHACOSA-N 1 1 346.475 0.971 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946667580 611403777 /nfs/dbraw/zinc/40/37/77/611403777.db2.gz AWXHKUWXNDHKSV-IYBDPMFKSA-N 1 1 345.443 0.719 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@@H]1C ZINC000948071327 611408023 /nfs/dbraw/zinc/40/80/23/611408023.db2.gz WXTQUZBBBWNZCM-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(CC#N)C[C@H]3CC2)C1 ZINC000946731203 611441175 /nfs/dbraw/zinc/44/11/75/611441175.db2.gz GINZLZLUQZVYSI-BBWFWOEESA-N 1 1 334.464 0.790 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(CC#N)C[C@H]3CC2)C1 ZINC000946731203 611441176 /nfs/dbraw/zinc/44/11/76/611441176.db2.gz GINZLZLUQZVYSI-BBWFWOEESA-N 1 1 334.464 0.790 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)[C@H]3CC[C@@H](C(=O)OC)CN3C2=O)C1 ZINC000925327107 611469703 /nfs/dbraw/zinc/46/97/03/611469703.db2.gz UIMQQVDSPSKVDE-HZSPNIEDSA-N 1 1 333.388 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)[C@H]3CC[C@@H](C(=O)OC)CN3C2=O)C1 ZINC000925327107 611469707 /nfs/dbraw/zinc/46/97/07/611469707.db2.gz UIMQQVDSPSKVDE-HZSPNIEDSA-N 1 1 333.388 0.300 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3nc[nH]n3)CC2)cc1 ZINC000930859125 611475277 /nfs/dbraw/zinc/47/52/77/611475277.db2.gz NXZWZZWZLPQVAT-UHFFFAOYSA-N 1 1 338.415 0.932 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2CC1 ZINC000946786676 611477968 /nfs/dbraw/zinc/47/79/68/611477968.db2.gz ODUFMDTYHUOBMZ-LJIZCISZSA-N 1 1 335.448 0.622 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1C#N ZINC000925335428 611470663 /nfs/dbraw/zinc/47/06/63/611470663.db2.gz VACNBZKCFIDMJW-HIFRSBDPSA-N 1 1 345.451 0.524 20 30 ECEDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)C1 ZINC000931018000 611498039 /nfs/dbraw/zinc/49/80/39/611498039.db2.gz KHIIDEWDZAPPEB-CQSZACIVSA-N 1 1 332.379 0.914 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000948307029 611512423 /nfs/dbraw/zinc/51/24/23/611512423.db2.gz UPNMXYORKRXTFO-CQSZACIVSA-N 1 1 331.420 0.901 20 30 ECEDMO Cn1[nH]c(=O)c2c1C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC2 ZINC000931200544 611518704 /nfs/dbraw/zinc/51/87/04/611518704.db2.gz YAVNPEIYUQLZLO-CYBMUJFWSA-N 1 1 328.372 0.795 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000931488791 611545059 /nfs/dbraw/zinc/54/50/59/611545059.db2.gz VXHXDSJTDKBSGB-HOTGVXAUSA-N 1 1 328.416 0.957 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2nnn(C(C)(C)C)n2)CC1 ZINC000948404909 611572660 /nfs/dbraw/zinc/57/26/60/611572660.db2.gz MRWUCDCVGFREMZ-CQSZACIVSA-N 1 1 332.452 0.917 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000948425319 611588053 /nfs/dbraw/zinc/58/80/53/611588053.db2.gz PQPLXRMGFSKNRK-HNNXBMFYSA-N 1 1 348.447 0.436 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)C[C@@H]1C ZINC000947556144 611593878 /nfs/dbraw/zinc/59/38/78/611593878.db2.gz OSGPWKBEJVYSKH-GXTWGEPZSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCO[C@H]2c2nnc(C)[nH]2)C1 ZINC000924038687 608611969 /nfs/dbraw/zinc/61/19/69/608611969.db2.gz VGEHGNKTUJFOEP-RBSFLKMASA-N 1 1 346.435 0.588 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCO[C@H]2c2nnc(C)[nH]2)C1 ZINC000924038687 608611970 /nfs/dbraw/zinc/61/19/70/608611970.db2.gz VGEHGNKTUJFOEP-RBSFLKMASA-N 1 1 346.435 0.588 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCO[C@H]2c2n[nH]c(C)n2)C1 ZINC000924038687 608611971 /nfs/dbraw/zinc/61/19/71/608611971.db2.gz VGEHGNKTUJFOEP-RBSFLKMASA-N 1 1 346.435 0.588 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCO[C@H]2c2n[nH]c(C)n2)C1 ZINC000924038687 608611972 /nfs/dbraw/zinc/61/19/72/608611972.db2.gz VGEHGNKTUJFOEP-RBSFLKMASA-N 1 1 346.435 0.588 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC000936909361 608653344 /nfs/dbraw/zinc/65/33/44/608653344.db2.gz FKMARSIHDKKAIR-RDJZCZTQSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C ZINC000948549408 611648874 /nfs/dbraw/zinc/64/88/74/611648874.db2.gz UNELCAMOBLDQEN-WCVJEAGWSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C ZINC000948549408 611648875 /nfs/dbraw/zinc/64/88/75/611648875.db2.gz UNELCAMOBLDQEN-WCVJEAGWSA-N 1 1 333.432 0.226 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCNCC2)c1 ZINC000927870992 611648320 /nfs/dbraw/zinc/64/83/20/611648320.db2.gz YDQIQRHYCCLWOI-UHFFFAOYSA-N 1 1 343.431 0.688 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 ZINC000949440953 608678851 /nfs/dbraw/zinc/67/88/51/608678851.db2.gz HWGCFKSRVXGRPI-OAHLLOKOSA-N 1 1 333.432 0.181 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 ZINC000949440953 608678855 /nfs/dbraw/zinc/67/88/55/608678855.db2.gz HWGCFKSRVXGRPI-OAHLLOKOSA-N 1 1 333.432 0.181 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@H](CC#N)C(F)(F)F)CC1 ZINC000932927723 608685981 /nfs/dbraw/zinc/68/59/81/608685981.db2.gz USPXDOVMAPCPKL-SNVBAGLBSA-N 1 1 335.330 0.294 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000948562026 611655164 /nfs/dbraw/zinc/65/51/64/611655164.db2.gz PHQCUQXASLGUTH-GJZGRUSLSA-N 1 1 345.447 0.882 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000936915475 608732411 /nfs/dbraw/zinc/73/24/11/608732411.db2.gz ZNJRPWNZQAFJHA-GJZGRUSLSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC000949523498 608737200 /nfs/dbraw/zinc/73/72/00/608737200.db2.gz RSNQOWUFESYXLA-UHFFFAOYSA-N 1 1 344.415 0.111 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)[C@H](C)C2)nn1 ZINC000947792317 608741538 /nfs/dbraw/zinc/74/15/38/608741538.db2.gz KWMAPNKPJQNYAP-CHWSQXEVSA-N 1 1 334.424 0.135 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C ZINC000947464110 608763912 /nfs/dbraw/zinc/76/39/12/608763912.db2.gz RAENHOKXFBXHAS-KBPBESRZSA-N 1 1 342.871 0.482 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C ZINC000947464110 608763913 /nfs/dbraw/zinc/76/39/13/608763913.db2.gz RAENHOKXFBXHAS-KBPBESRZSA-N 1 1 342.871 0.482 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC000947464540 608764234 /nfs/dbraw/zinc/76/42/34/608764234.db2.gz VYRHEXVYRRUVGW-NEPJUHHUSA-N 1 1 327.816 0.303 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC000947464540 608764240 /nfs/dbraw/zinc/76/42/40/608764240.db2.gz VYRHEXVYRRUVGW-NEPJUHHUSA-N 1 1 327.816 0.303 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C[C@H]1C ZINC000947491996 608810855 /nfs/dbraw/zinc/81/08/55/608810855.db2.gz DKUFDWLANDKYHL-ZBFHGGJFSA-N 1 1 331.416 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=COCCC2)CC1 ZINC000947230050 608810910 /nfs/dbraw/zinc/81/09/10/608810910.db2.gz LKQCAOWNEKVRRP-KRWDZBQOSA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2=COCCC2)CC1 ZINC000947230050 608810912 /nfs/dbraw/zinc/81/09/12/608810912.db2.gz LKQCAOWNEKVRRP-KRWDZBQOSA-N 1 1 345.443 0.886 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000948591386 611663878 /nfs/dbraw/zinc/66/38/78/611663878.db2.gz WOVJMVBHTWRVGO-AWEZNQCLSA-N 1 1 334.420 0.838 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C[C@H]1C ZINC000947730269 611669026 /nfs/dbraw/zinc/66/90/26/611669026.db2.gz CDBSRKIPSCFITO-ZIAGYGMSSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCCC[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000924559158 608937438 /nfs/dbraw/zinc/93/74/38/608937438.db2.gz GFSXSTJOCGRVRG-ZIAGYGMSSA-N 1 1 336.436 0.851 20 30 ECEDMO C=CCCC[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000924559138 608937566 /nfs/dbraw/zinc/93/75/66/608937566.db2.gz GFSXSTJOCGRVRG-KBPBESRZSA-N 1 1 336.436 0.851 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccccc2O)C1 ZINC000937698604 609016106 /nfs/dbraw/zinc/01/61/06/609016106.db2.gz GXULQIWKLPKOMM-HOCLYGCPSA-N 1 1 341.411 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccccc2O)C1 ZINC000937698604 609016109 /nfs/dbraw/zinc/01/61/09/609016109.db2.gz GXULQIWKLPKOMM-HOCLYGCPSA-N 1 1 341.411 0.821 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C[C@H]1C ZINC000947762638 611680371 /nfs/dbraw/zinc/68/03/71/611680371.db2.gz XRURAOMLRTUDSU-ZIAGYGMSSA-N 1 1 344.419 0.436 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937799054 609090702 /nfs/dbraw/zinc/09/07/02/609090702.db2.gz UWNYBUSIVRWYPI-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cccnc1 ZINC000948692283 611690726 /nfs/dbraw/zinc/69/07/26/611690726.db2.gz KTBMFGKHLKADEC-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cccnc1 ZINC000948692283 611690729 /nfs/dbraw/zinc/69/07/29/611690729.db2.gz KTBMFGKHLKADEC-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)[C@@H](C)C2)nn1 ZINC000947792327 611692438 /nfs/dbraw/zinc/69/24/38/611692438.db2.gz KXHNURHIUZHLHM-UONOGXRCSA-N 1 1 344.423 0.339 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC(OCC)C2)C1 ZINC000937899895 609382974 /nfs/dbraw/zinc/38/29/74/609382974.db2.gz JHXCMWMMAYWJAM-XGHPGWEVSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC(OCC)C2)C1 ZINC000937899895 609382976 /nfs/dbraw/zinc/38/29/76/609382976.db2.gz JHXCMWMMAYWJAM-XGHPGWEVSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2nccc2C)C1 ZINC000937957840 609418851 /nfs/dbraw/zinc/41/88/51/609418851.db2.gz VAKDDQNZQHYSSK-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2nccc2C)C1 ZINC000937957840 609418853 /nfs/dbraw/zinc/41/88/53/609418853.db2.gz VAKDDQNZQHYSSK-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(CC)cn2)C1 ZINC000938170063 609481079 /nfs/dbraw/zinc/48/10/79/609481079.db2.gz CKOBMLNLDADGFJ-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(CC)cn2)C1 ZINC000938170063 609481082 /nfs/dbraw/zinc/48/10/82/609481082.db2.gz CKOBMLNLDADGFJ-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(OC)no2)C1 ZINC000938170015 609481146 /nfs/dbraw/zinc/48/11/46/609481146.db2.gz AOLYVNLGOXBRAR-STQMWFEESA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(OC)no2)C1 ZINC000938170015 609481149 /nfs/dbraw/zinc/48/11/49/609481149.db2.gz AOLYVNLGOXBRAR-STQMWFEESA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnn2CC)C1 ZINC000938170327 609481778 /nfs/dbraw/zinc/48/17/78/609481778.db2.gz GLKYGDJOYAIIQJ-GJZGRUSLSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnn2CC)C1 ZINC000938170327 609481780 /nfs/dbraw/zinc/48/17/80/609481780.db2.gz GLKYGDJOYAIIQJ-GJZGRUSLSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000938170705 609482203 /nfs/dbraw/zinc/48/22/03/609482203.db2.gz MCMXONYBMJXFEZ-GJZGRUSLSA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000938170705 609482205 /nfs/dbraw/zinc/48/22/05/609482205.db2.gz MCMXONYBMJXFEZ-GJZGRUSLSA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000938170483 609482322 /nfs/dbraw/zinc/48/23/22/609482322.db2.gz IFSYPSFPOJDWMC-ZOFXXKQRSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000938170483 609482324 /nfs/dbraw/zinc/48/23/24/609482324.db2.gz IFSYPSFPOJDWMC-ZOFXXKQRSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nc(C)oc2C)C1 ZINC000938170525 609482850 /nfs/dbraw/zinc/48/28/50/609482850.db2.gz JFFRRDMGJCPJDG-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nc(C)oc2C)C1 ZINC000938170525 609482853 /nfs/dbraw/zinc/48/28/53/609482853.db2.gz JFFRRDMGJCPJDG-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938170536 609482997 /nfs/dbraw/zinc/48/29/97/609482997.db2.gz JQXFRFSMKNZWTH-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938170536 609483001 /nfs/dbraw/zinc/48/30/01/609483001.db2.gz JQXFRFSMKNZWTH-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC000938171010 609483232 /nfs/dbraw/zinc/48/32/32/609483232.db2.gz SFJKSDQSBHWWQV-HOCLYGCPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC000938171010 609483234 /nfs/dbraw/zinc/48/32/34/609483234.db2.gz SFJKSDQSBHWWQV-HOCLYGCPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cscn2)C1 ZINC000938172724 609485537 /nfs/dbraw/zinc/48/55/37/609485537.db2.gz FWTPZXOJJMIEMZ-ZFWWWQNUSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cscn2)C1 ZINC000938172724 609485538 /nfs/dbraw/zinc/48/55/38/609485538.db2.gz FWTPZXOJJMIEMZ-ZFWWWQNUSA-N 1 1 346.456 0.500 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)nc1 ZINC000908010860 609636292 /nfs/dbraw/zinc/63/62/92/609636292.db2.gz DCZFLPJHYJBXPT-KBPBESRZSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)nc1 ZINC000908010860 609636294 /nfs/dbraw/zinc/63/62/94/609636294.db2.gz DCZFLPJHYJBXPT-KBPBESRZSA-N 1 1 336.417 0.173 20 30 ECEDMO CC(C)(CC#N)CS(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908015588 609637924 /nfs/dbraw/zinc/63/79/24/609637924.db2.gz QWTFMXGJTPXNLK-KGLIPLIRSA-N 1 1 329.466 0.787 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000907999677 609640139 /nfs/dbraw/zinc/64/01/39/609640139.db2.gz BWCRGFNFKRXXHS-DLBZAZTESA-N 1 1 349.456 0.919 20 30 ECEDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000908350514 609651469 /nfs/dbraw/zinc/65/14/69/609651469.db2.gz CEXQFWDHRDDSJZ-GOSISDBHSA-N 1 1 343.431 0.449 20 30 ECEDMO C=CCn1c(-c2ncon2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000908732919 609659792 /nfs/dbraw/zinc/65/97/92/609659792.db2.gz YOGGUZKRZHYNBD-CYBMUJFWSA-N 1 1 345.407 0.673 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C ZINC000919948818 609665955 /nfs/dbraw/zinc/66/59/55/609665955.db2.gz WULILOKDKVQMGM-LSDHHAIUSA-N 1 1 337.445 0.660 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000919948818 609665958 /nfs/dbraw/zinc/66/59/58/609665958.db2.gz WULILOKDKVQMGM-LSDHHAIUSA-N 1 1 337.445 0.660 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000919948817 609666052 /nfs/dbraw/zinc/66/60/52/609666052.db2.gz WULILOKDKVQMGM-HUUCEWRRSA-N 1 1 337.445 0.660 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000919948817 609666053 /nfs/dbraw/zinc/66/60/53/609666053.db2.gz WULILOKDKVQMGM-HUUCEWRRSA-N 1 1 337.445 0.660 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920210115 609675261 /nfs/dbraw/zinc/67/52/61/609675261.db2.gz PNDJOQGWIWPYCP-GUYCJALGSA-N 1 1 338.452 0.250 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000920190636 609675266 /nfs/dbraw/zinc/67/52/66/609675266.db2.gz FLWLGZZEJJSLHG-DLBZAZTESA-N 1 1 344.459 0.881 20 30 ECEDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CC1(C#N)CC1)C2 ZINC000920276344 609678338 /nfs/dbraw/zinc/67/83/38/609678338.db2.gz WKZRCWOCBRLMLT-KQTLUZQSSA-N 1 1 341.477 0.689 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000913478441 609680076 /nfs/dbraw/zinc/68/00/76/609680076.db2.gz HXPFCHFTUNTOQV-UHFFFAOYSA-N 1 1 341.459 0.700 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn(C)nc1Br ZINC000927617210 609681922 /nfs/dbraw/zinc/68/19/22/609681922.db2.gz HJGQHOHTVUGFND-NSHDSACASA-N 1 1 325.210 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn(C)nc1Br ZINC000927617210 609681923 /nfs/dbraw/zinc/68/19/23/609681923.db2.gz HJGQHOHTVUGFND-NSHDSACASA-N 1 1 325.210 0.896 20 30 ECEDMO C#CCCCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCOC ZINC000909198100 609685853 /nfs/dbraw/zinc/68/58/53/609685853.db2.gz ZWBZRBUEWSMHBJ-HNNXBMFYSA-N 1 1 333.436 0.401 20 30 ECEDMO C#CCCCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCOC ZINC000909198100 609685855 /nfs/dbraw/zinc/68/58/55/609685855.db2.gz ZWBZRBUEWSMHBJ-HNNXBMFYSA-N 1 1 333.436 0.401 20 30 ECEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913552313 609693250 /nfs/dbraw/zinc/69/32/50/609693250.db2.gz KYBFSPQNTKTRQF-OAHLLOKOSA-N 1 1 347.415 0.861 20 30 ECEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913552313 609693252 /nfs/dbraw/zinc/69/32/52/609693252.db2.gz KYBFSPQNTKTRQF-OAHLLOKOSA-N 1 1 347.415 0.861 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)CC2(C(=O)OC)CCC2)CC1 ZINC000921437231 609716674 /nfs/dbraw/zinc/71/66/74/609716674.db2.gz QJSWLKOQEAQLHA-UHFFFAOYSA-N 1 1 328.434 0.347 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)C[C@@H]1C ZINC000947761874 609734431 /nfs/dbraw/zinc/73/44/31/609734431.db2.gz RHWJPVHGQORCNY-ZFWWWQNUSA-N 1 1 326.462 0.804 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000046449279 609735344 /nfs/dbraw/zinc/73/53/44/609735344.db2.gz XARBKNWUJLYWKU-VOTSOKGWSA-N 1 1 326.400 0.898 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000938375293 609760664 /nfs/dbraw/zinc/76/06/64/609760664.db2.gz ORBZWNOJBBLSPH-CABCVRRESA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000938397098 609775344 /nfs/dbraw/zinc/77/53/44/609775344.db2.gz MGKLPVKPNPSCKY-DLBZAZTESA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000938397098 609775345 /nfs/dbraw/zinc/77/53/45/609775345.db2.gz MGKLPVKPNPSCKY-DLBZAZTESA-N 1 1 341.411 0.329 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000948925002 609788917 /nfs/dbraw/zinc/78/89/17/609788917.db2.gz SQQOQBRDJUOFRG-MRXNPFEDSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000948925002 609788919 /nfs/dbraw/zinc/78/89/19/609788919.db2.gz SQQOQBRDJUOFRG-MRXNPFEDSA-N 1 1 333.432 0.085 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000913683609 609811021 /nfs/dbraw/zinc/81/10/21/609811021.db2.gz KCDJQZWHZKSPOF-UHFFFAOYSA-N 1 1 342.443 0.950 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CCC#N)CC2)C1 ZINC000913760823 609820118 /nfs/dbraw/zinc/82/01/18/609820118.db2.gz RBTQUAALMMMMOT-OAHLLOKOSA-N 1 1 336.436 0.319 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000938532943 609851862 /nfs/dbraw/zinc/85/18/62/609851862.db2.gz RFSGPKWXQXZYAL-KGLIPLIRSA-N 1 1 346.435 0.089 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925409331 609888346 /nfs/dbraw/zinc/88/83/46/609888346.db2.gz NTAURPOEHGWGRI-QWHCGFSZSA-N 1 1 329.408 0.272 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccns2)C1 ZINC000938636360 609912090 /nfs/dbraw/zinc/91/20/90/609912090.db2.gz ZTGYKRBKHPWORB-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccns2)C1 ZINC000938636360 609912091 /nfs/dbraw/zinc/91/20/91/609912091.db2.gz ZTGYKRBKHPWORB-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO CC[N@@H+]1[C@H](C)CN(C(=O)CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC000912024074 609927433 /nfs/dbraw/zinc/92/74/33/609927433.db2.gz LPFCTEDKXVICIR-WXOBYUGDSA-N 1 1 334.420 0.844 20 30 ECEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000916362505 609938102 /nfs/dbraw/zinc/93/81/02/609938102.db2.gz SLZNBTNJSSLQMW-NFAWXSAZSA-N 1 1 342.465 0.296 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000938842113 609971751 /nfs/dbraw/zinc/97/17/51/609971751.db2.gz OSICFRYMFXAFAM-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000938842113 609971754 /nfs/dbraw/zinc/97/17/54/609971754.db2.gz OSICFRYMFXAFAM-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cnco2)C1 ZINC000938755203 609973568 /nfs/dbraw/zinc/97/35/68/609973568.db2.gz YCQALQMTIQLMLE-KGLIPLIRSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cnco2)C1 ZINC000938755203 609973569 /nfs/dbraw/zinc/97/35/69/609973569.db2.gz YCQALQMTIQLMLE-KGLIPLIRSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2n[nH]cc2C)C1 ZINC000938756714 609982580 /nfs/dbraw/zinc/98/25/80/609982580.db2.gz WDHZTUWXSPLFCP-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2n[nH]cc2C)C1 ZINC000938756714 609982583 /nfs/dbraw/zinc/98/25/83/609982583.db2.gz WDHZTUWXSPLFCP-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C[C@H](CNC(=O)COc1cccc(C#N)c1)CN1CC[NH+](C)CC1 ZINC000918699720 610015263 /nfs/dbraw/zinc/01/52/63/610015263.db2.gz VRQNVBSCJCACHD-OAHLLOKOSA-N 1 1 330.432 0.937 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938823613 610025552 /nfs/dbraw/zinc/02/55/52/610025552.db2.gz OOVQXKKULXQSNA-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCOc1cc(OC)ccc1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913186055 610047870 /nfs/dbraw/zinc/04/78/70/610047870.db2.gz YIDKAOADALRYDN-KRWDZBQOSA-N 1 1 336.388 0.341 20 30 ECEDMO C[N@@H+]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1C(C)(C)C ZINC000919597567 610050946 /nfs/dbraw/zinc/05/09/46/610050946.db2.gz KEPYCEDCCCWFJJ-QWHCGFSZSA-N 1 1 330.454 0.118 20 30 ECEDMO C[N@H+]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1C(C)(C)C ZINC000919597567 610050948 /nfs/dbraw/zinc/05/09/48/610050948.db2.gz KEPYCEDCCCWFJJ-QWHCGFSZSA-N 1 1 330.454 0.118 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC000939242269 610130972 /nfs/dbraw/zinc/13/09/72/610130972.db2.gz LOGITGPGZQMZLE-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC000939242269 610130974 /nfs/dbraw/zinc/13/09/74/610130974.db2.gz LOGITGPGZQMZLE-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](NCc3ccn(C)n3)[C@@H](C)C2)CC1 ZINC000939809146 610136396 /nfs/dbraw/zinc/13/63/96/610136396.db2.gz HVEHNLLBUNOSRQ-YJBOKZPZSA-N 1 1 343.475 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC000939867681 610155660 /nfs/dbraw/zinc/15/56/60/610155660.db2.gz UOJKFYQOXMHBSD-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC000939867681 610155661 /nfs/dbraw/zinc/15/56/61/610155661.db2.gz UOJKFYQOXMHBSD-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000939934375 610171132 /nfs/dbraw/zinc/17/11/32/610171132.db2.gz RJUWXPJJESSYRR-AEGPPILISA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(C)n2C)C1 ZINC000939415708 610188198 /nfs/dbraw/zinc/18/81/98/610188198.db2.gz GWEPJMARSAWZEC-WBVHZDCISA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(C)n2C)C1 ZINC000939415708 610188200 /nfs/dbraw/zinc/18/82/00/610188200.db2.gz GWEPJMARSAWZEC-WBVHZDCISA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000939455856 610209165 /nfs/dbraw/zinc/20/91/65/610209165.db2.gz VYYUBVLGBVNEHV-PMPSAXMXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000939455856 610209166 /nfs/dbraw/zinc/20/91/66/610209166.db2.gz VYYUBVLGBVNEHV-PMPSAXMXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2ccoc2)C1 ZINC000940124690 610217820 /nfs/dbraw/zinc/21/78/20/610217820.db2.gz AXJVNWUNTQYMNO-CVEARBPZSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2ccoc2)C1 ZINC000940124690 610217822 /nfs/dbraw/zinc/21/78/22/610217822.db2.gz AXJVNWUNTQYMNO-CVEARBPZSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cc(C)on2)CC1 ZINC000940177266 610229335 /nfs/dbraw/zinc/22/93/35/610229335.db2.gz ANYFDRLLMRQZLJ-INIZCTEOSA-N 1 1 344.415 0.755 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cc(C)on2)CC1 ZINC000940177266 610229337 /nfs/dbraw/zinc/22/93/37/610229337.db2.gz ANYFDRLLMRQZLJ-INIZCTEOSA-N 1 1 344.415 0.755 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CCn3ccccc3=O)CC2)C1 ZINC000941428229 610301744 /nfs/dbraw/zinc/30/17/44/610301744.db2.gz NAMOQKFMSZABSL-UHFFFAOYSA-N 1 1 330.432 0.253 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941437158 610315075 /nfs/dbraw/zinc/31/50/75/610315075.db2.gz UNOUOIYJRNJBRH-HNNXBMFYSA-N 1 1 328.420 0.112 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn4ncccc34)CC2)C1 ZINC000941440949 610316579 /nfs/dbraw/zinc/31/65/79/610316579.db2.gz YSLPOHGYEDUVIX-UHFFFAOYSA-N 1 1 326.404 0.357 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4cc(C)nc4C3)CC2)C1 ZINC000941456486 610318739 /nfs/dbraw/zinc/31/87/39/610318739.db2.gz QFNBTQHYXSZVAW-MRXNPFEDSA-N 1 1 343.475 0.768 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3cnccc3OC)CC2)C1 ZINC000941451625 610325961 /nfs/dbraw/zinc/32/59/61/610325961.db2.gz NECONPUJUVMRRU-UHFFFAOYSA-N 1 1 330.432 0.647 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940687809 610330797 /nfs/dbraw/zinc/33/07/97/610330797.db2.gz VQYPOIKCVDTRLP-KGLIPLIRSA-N 1 1 329.404 0.605 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940692662 610332604 /nfs/dbraw/zinc/33/26/04/610332604.db2.gz CXIAGNGLZRECDT-UONOGXRCSA-N 1 1 331.420 0.981 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccn4ccnc4c3)CC2)C1 ZINC000941484626 610337631 /nfs/dbraw/zinc/33/76/31/610337631.db2.gz DGRXEWKPZZFVDI-UHFFFAOYSA-N 1 1 337.427 0.800 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N[C@H](CC)C3)CC2)C1 ZINC000941499117 610343793 /nfs/dbraw/zinc/34/37/93/610343793.db2.gz NKZBZADHPNSSIK-JKSUJKDBSA-N 1 1 348.491 0.696 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1 ZINC000942258948 610363673 /nfs/dbraw/zinc/36/36/73/610363673.db2.gz QYHYCAFCPACRJL-VXGBXAGGSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)CC2)C1 ZINC000941532162 610363689 /nfs/dbraw/zinc/36/36/89/610363689.db2.gz QGZDWGQXKOCVQP-KRWDZBQOSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940781941 610368905 /nfs/dbraw/zinc/36/89/05/610368905.db2.gz FAHIEVVTKMMHLX-LSDHHAIUSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3cc(C)on3)CC2)C1 ZINC000941563144 610383863 /nfs/dbraw/zinc/38/38/63/610383863.db2.gz AQKIGRBQLHOOII-UHFFFAOYSA-N 1 1 330.432 0.767 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CC2)C1 ZINC000941566357 610386726 /nfs/dbraw/zinc/38/67/26/610386726.db2.gz CSBDZXOUJAENAG-MRXNPFEDSA-N 1 1 341.459 0.216 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3nc(C)ncc3Cl)CC2)C1 ZINC000941592967 610388672 /nfs/dbraw/zinc/38/86/72/610388672.db2.gz MHOCETXAZIOFIZ-UHFFFAOYSA-N 1 1 347.850 0.904 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940846642 610397925 /nfs/dbraw/zinc/39/79/25/610397925.db2.gz DTKXWLLSMJHPGM-ZIAGYGMSSA-N 1 1 345.447 0.786 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000940847340 610398076 /nfs/dbraw/zinc/39/80/76/610398076.db2.gz VPUDAXTVVSKGFE-OAHLLOKOSA-N 1 1 334.464 0.000 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)C(C)(C)C1 ZINC000940862724 610400896 /nfs/dbraw/zinc/40/08/96/610400896.db2.gz VEYHQERVEAYDKP-MRXNPFEDSA-N 1 1 345.443 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2conc2CC)C1 ZINC000942351100 610409779 /nfs/dbraw/zinc/40/97/79/610409779.db2.gz TZKXEXDZTNDGGX-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2conc2CC)C1 ZINC000942351100 610409782 /nfs/dbraw/zinc/40/97/82/610409782.db2.gz TZKXEXDZTNDGGX-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)CC2)C1 ZINC000941639434 610424547 /nfs/dbraw/zinc/42/45/47/610424547.db2.gz RVTCYTMACRKOLX-QGZVFWFLSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3nc4nccc(C)n4n3)CC2)C1 ZINC000941654925 610429829 /nfs/dbraw/zinc/42/98/29/610429829.db2.gz OJXRLPWLQBNPSI-UHFFFAOYSA-N 1 1 341.419 0.061 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@H](C)C1 ZINC000942393166 610433747 /nfs/dbraw/zinc/43/37/47/610433747.db2.gz NGHPYZSONBDSQJ-CZUORRHYSA-N 1 1 329.400 0.624 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC000941660263 610433753 /nfs/dbraw/zinc/43/37/53/610433753.db2.gz IAUFWWIPDJISHI-UHFFFAOYSA-N 1 1 348.491 0.794 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)nn3)CC2)C1 ZINC000941641452 610435296 /nfs/dbraw/zinc/43/52/96/610435296.db2.gz BGNHQDHHYNGKLE-UHFFFAOYSA-N 1 1 342.447 0.008 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(C(N)=O)cs3)CC2)C1 ZINC000941676639 610449452 /nfs/dbraw/zinc/44/94/52/610449452.db2.gz CDFUHHQPZYDKCG-UHFFFAOYSA-N 1 1 346.456 0.312 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC34CCOCC4)CC2)C1 ZINC000941692198 610466457 /nfs/dbraw/zinc/46/64/57/610466457.db2.gz GPNHZBCZOHZPJV-QGZVFWFLSA-N 1 1 331.460 0.655 20 30 ECEDMO O=C(C#CC1CC1)N1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000940996438 610475611 /nfs/dbraw/zinc/47/56/11/610475611.db2.gz LVZVFLSQDDDCCO-UHFFFAOYSA-N 1 1 333.432 0.183 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)C1 ZINC000941000502 610478242 /nfs/dbraw/zinc/47/82/42/610478242.db2.gz CNGSHLDZRKWBDC-INIZCTEOSA-N 1 1 333.432 0.181 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)C1 ZINC000941000502 610478244 /nfs/dbraw/zinc/47/82/44/610478244.db2.gz CNGSHLDZRKWBDC-INIZCTEOSA-N 1 1 333.432 0.181 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](C)C1 ZINC000942497422 610482231 /nfs/dbraw/zinc/48/22/31/610482231.db2.gz RZAPYZQUOAKORN-HUUCEWRRSA-N 1 1 341.477 0.262 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](C)C1 ZINC000941788196 610494105 /nfs/dbraw/zinc/49/41/05/610494105.db2.gz DDYIIMAZMXMAFI-KOLCDFICSA-N 1 1 343.229 0.408 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](C)C1 ZINC000941788196 610494107 /nfs/dbraw/zinc/49/41/07/610494107.db2.gz DDYIIMAZMXMAFI-KOLCDFICSA-N 1 1 343.229 0.408 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)CC2(C)C)c1 ZINC000941015879 610495205 /nfs/dbraw/zinc/49/52/05/610495205.db2.gz WEVYUVJUYCFBMJ-WFASDCNBSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)CC2(C)C)c1 ZINC000941015879 610495208 /nfs/dbraw/zinc/49/52/08/610495208.db2.gz WEVYUVJUYCFBMJ-WFASDCNBSA-N 1 1 328.416 0.767 20 30 ECEDMO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000941795928 610502975 /nfs/dbraw/zinc/50/29/75/610502975.db2.gz OZZIQHIZCOTBML-IXDOHACOSA-N 1 1 347.459 0.615 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C(C)(C)C1 ZINC000941028717 610505285 /nfs/dbraw/zinc/50/52/85/610505285.db2.gz NSOIMYVJKNXYOC-HNNXBMFYSA-N 1 1 344.459 0.987 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941791594 610510270 /nfs/dbraw/zinc/51/02/70/610510270.db2.gz VBWVWRIZYQIPMK-CJNGLKHVSA-N 1 1 339.403 0.572 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC000941859263 610530483 /nfs/dbraw/zinc/53/04/83/610530483.db2.gz IMSFOUCYEIKFLE-RBSFLKMASA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941091340 610532353 /nfs/dbraw/zinc/53/23/53/610532353.db2.gz QMEBSRIFBBXCFF-KGLIPLIRSA-N 1 1 343.493 0.813 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941091341 610532394 /nfs/dbraw/zinc/53/23/94/610532394.db2.gz QMEBSRIFBBXCFF-UONOGXRCSA-N 1 1 343.493 0.813 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2C)c1 ZINC000942618758 610537556 /nfs/dbraw/zinc/53/75/56/610537556.db2.gz WNOPSTJKGADSMS-RHSMWYFYSA-N 1 1 338.415 0.795 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941967078 610581502 /nfs/dbraw/zinc/58/15/02/610581502.db2.gz PWOBGDGBUGRRHN-SWLSCSKDSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000941198875 610589286 /nfs/dbraw/zinc/58/92/86/610589286.db2.gz JJRFYUPVQDKSLT-GFCCVEGCSA-N 1 1 336.436 0.720 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000941199634 610589691 /nfs/dbraw/zinc/58/96/91/610589691.db2.gz PIYAVRWRHRPXIT-LBPRGKRZSA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000941241028 610613838 /nfs/dbraw/zinc/61/38/38/610613838.db2.gz RMLRXJGJMBOLJO-VKJFTORMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000941241028 610613840 /nfs/dbraw/zinc/61/38/40/610613840.db2.gz RMLRXJGJMBOLJO-VKJFTORMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cnc(C)o2)C1 ZINC000941242043 610614572 /nfs/dbraw/zinc/61/45/72/610614572.db2.gz SNTFWDLAKCPWET-ZBFHGGJFSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cnc(C)o2)C1 ZINC000941242043 610614574 /nfs/dbraw/zinc/61/45/74/610614574.db2.gz SNTFWDLAKCPWET-ZBFHGGJFSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2ncc[nH]2)C1 ZINC000942779210 610617458 /nfs/dbraw/zinc/61/74/58/610617458.db2.gz PBKWKUZVKSFODY-GJZGRUSLSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2ncc[nH]2)C1 ZINC000942779210 610617460 /nfs/dbraw/zinc/61/74/60/610617460.db2.gz PBKWKUZVKSFODY-GJZGRUSLSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000941237719 610621706 /nfs/dbraw/zinc/62/17/06/610621706.db2.gz HNGYFIBOYMBZMB-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000941237719 610621709 /nfs/dbraw/zinc/62/17/09/610621709.db2.gz HNGYFIBOYMBZMB-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 ZINC000942105058 610652477 /nfs/dbraw/zinc/65/24/77/610652477.db2.gz GNURQXKUGAUAEE-DGCLKSJQSA-N 1 1 349.884 0.601 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 ZINC000942105058 610652479 /nfs/dbraw/zinc/65/24/79/610652479.db2.gz GNURQXKUGAUAEE-DGCLKSJQSA-N 1 1 349.884 0.601 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@H](C)C1 ZINC000942891787 610668641 /nfs/dbraw/zinc/66/86/41/610668641.db2.gz CGRPGMCFNFRROB-UKRRQHHQSA-N 1 1 328.416 0.952 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C ZINC000947900152 610681869 /nfs/dbraw/zinc/68/18/69/610681869.db2.gz PINPUODWKIKUHU-HUUCEWRRSA-N 1 1 347.463 0.926 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 ZINC000942176774 610686692 /nfs/dbraw/zinc/68/66/92/610686692.db2.gz QHCPCRJNHVKBQN-UKRRQHHQSA-N 1 1 338.473 0.661 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 ZINC000942176391 610686816 /nfs/dbraw/zinc/68/68/16/610686816.db2.gz OWVOXNPTAWDRQU-TZMCWYRMSA-N 1 1 326.462 0.824 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000943198937 610744106 /nfs/dbraw/zinc/74/41/06/610744106.db2.gz IZJWZOQUPFIJNX-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@H](C)C1 ZINC000944134161 610751221 /nfs/dbraw/zinc/75/12/21/610751221.db2.gz AZBOAZNBJOCFCH-OCCSQVGLSA-N 1 1 327.388 0.898 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](C)C1 ZINC000944152797 610768261 /nfs/dbraw/zinc/76/82/61/610768261.db2.gz DIQPWXNKZQDYIX-QWHCGFSZSA-N 1 1 344.419 0.824 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@@H](C)C1 ZINC000944191914 610776121 /nfs/dbraw/zinc/77/61/21/610776121.db2.gz GZKKFPLGXMWZCU-DZGCQCFKSA-N 1 1 328.416 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2C)cn1 ZINC000944215227 610787230 /nfs/dbraw/zinc/78/72/30/610787230.db2.gz RBUUOMNISQPARZ-PBHICJAKSA-N 1 1 338.415 0.795 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](C)C1 ZINC000944810581 610795210 /nfs/dbraw/zinc/79/52/10/610795210.db2.gz JFJLMGZXIQJTFX-CHWSQXEVSA-N 1 1 331.420 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2C)nn1 ZINC000943500363 610885210 /nfs/dbraw/zinc/88/52/10/610885210.db2.gz XONGFGGIMVGXOA-KBPBESRZSA-N 1 1 348.451 0.383 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC000945031430 610887475 /nfs/dbraw/zinc/88/74/75/610887475.db2.gz SPCMEHPYMLOQHZ-HNNXBMFYSA-N 1 1 348.447 0.319 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H](C)C1 ZINC000943761351 610978953 /nfs/dbraw/zinc/97/89/53/610978953.db2.gz LKBMFABMCZWNLQ-XJKSGUPXSA-N 1 1 330.432 0.710 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944594626 611002065 /nfs/dbraw/zinc/00/20/65/611002065.db2.gz JJOVBLFGHXJLBK-IAGOWNOFSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC(C)C)CCO1 ZINC000944644163 611049455 /nfs/dbraw/zinc/04/94/55/611049455.db2.gz ADFZKQGPJUSPRH-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC(C)C)CCO1 ZINC000944644163 611049456 /nfs/dbraw/zinc/04/94/56/611049456.db2.gz ADFZKQGPJUSPRH-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCCCO1 ZINC000943962118 611058731 /nfs/dbraw/zinc/05/87/31/611058731.db2.gz GQOIUWFYQCTUQM-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCCCO1 ZINC000943962118 611058732 /nfs/dbraw/zinc/05/87/32/611058732.db2.gz GQOIUWFYQCTUQM-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1coc(C)n1 ZINC000943976490 611063958 /nfs/dbraw/zinc/06/39/58/611063958.db2.gz AFHFPMBOZLUXDM-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1coc(C)n1 ZINC000943976490 611063960 /nfs/dbraw/zinc/06/39/60/611063960.db2.gz AFHFPMBOZLUXDM-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1n[nH]cc1C ZINC000944005323 611078385 /nfs/dbraw/zinc/07/83/85/611078385.db2.gz SEEDZWZWYNCYNK-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1n[nH]cc1C ZINC000944005323 611078387 /nfs/dbraw/zinc/07/83/87/611078387.db2.gz SEEDZWZWYNCYNK-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000944029619 611090903 /nfs/dbraw/zinc/09/09/03/611090903.db2.gz ZAEUQGYFVIEAAJ-CQSZACIVSA-N 1 1 340.387 0.812 20 30 ECEDMO C=CCCC[N@@H+](CC)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000934652229 611811964 /nfs/dbraw/zinc/81/19/64/611811964.db2.gz XSPZUBXMQJLZAD-LBPRGKRZSA-N 1 1 331.438 0.287 20 30 ECEDMO C=CCCC[N@H+](CC)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000934652229 611811965 /nfs/dbraw/zinc/81/19/65/611811965.db2.gz XSPZUBXMQJLZAD-LBPRGKRZSA-N 1 1 331.438 0.287 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC000946851437 611196168 /nfs/dbraw/zinc/19/61/68/611196168.db2.gz VRGBEIXHIIFABN-GASCZTMLSA-N 1 1 348.447 0.675 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc4nc(C)nn43)CC[C@@H]2C1 ZINC000946858977 611202320 /nfs/dbraw/zinc/20/23/20/611202320.db2.gz IRFMKCOKPVQTAR-GASCZTMLSA-N 1 1 338.415 0.850 20 30 ECEDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000923270720 611222816 /nfs/dbraw/zinc/22/28/16/611222816.db2.gz FFFMASZAMXHFNR-JKSUJKDBSA-N 1 1 326.400 0.983 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCOCC3)CC[C@@H]2C1 ZINC000946900038 611241718 /nfs/dbraw/zinc/24/17/18/611241718.db2.gz VIDAXSZNNWRYOG-CEXWTWQISA-N 1 1 345.487 0.901 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437689 611242741 /nfs/dbraw/zinc/24/27/41/611242741.db2.gz WDZNVXSVFOMCOP-UHFFFAOYSA-N 1 1 348.472 0.594 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)COCc2ocnc2C(=O)OC)C1 ZINC000923555879 611262177 /nfs/dbraw/zinc/26/21/77/611262177.db2.gz XYSSTTQFUHVFGU-GFCCVEGCSA-N 1 1 335.360 0.192 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)COCc2ocnc2C(=O)OC)C1 ZINC000923555879 611262180 /nfs/dbraw/zinc/26/21/80/611262180.db2.gz XYSSTTQFUHVFGU-GFCCVEGCSA-N 1 1 335.360 0.192 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(C(=O)OC(C)(C)C)=NO2)C1 ZINC000923561645 611262697 /nfs/dbraw/zinc/26/26/97/611262697.db2.gz IEAAFTSMRCMCTR-GXTWGEPZSA-N 1 1 335.404 0.687 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(C(=O)OC(C)(C)C)=NO2)C1 ZINC000923561645 611262698 /nfs/dbraw/zinc/26/26/98/611262698.db2.gz IEAAFTSMRCMCTR-GXTWGEPZSA-N 1 1 335.404 0.687 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC000923588218 611270100 /nfs/dbraw/zinc/27/01/00/611270100.db2.gz AWNSRISWUMZTKU-INIZCTEOSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC000923588218 611270101 /nfs/dbraw/zinc/27/01/01/611270101.db2.gz AWNSRISWUMZTKU-INIZCTEOSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cn2c3ccccc3n(C)c2=O)C1 ZINC000923590195 611270635 /nfs/dbraw/zinc/27/06/35/611270635.db2.gz ZPTDOWGDQXZUJC-AWEZNQCLSA-N 1 1 326.400 0.554 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c3ccccc3n(C)c2=O)C1 ZINC000923590195 611270637 /nfs/dbraw/zinc/27/06/37/611270637.db2.gz ZPTDOWGDQXZUJC-AWEZNQCLSA-N 1 1 326.400 0.554 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)C1 ZINC000923591115 611270777 /nfs/dbraw/zinc/27/07/77/611270777.db2.gz NUWWKVUDHGCMGO-INIZCTEOSA-N 1 1 338.415 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)C1 ZINC000923591115 611270779 /nfs/dbraw/zinc/27/07/79/611270779.db2.gz NUWWKVUDHGCMGO-INIZCTEOSA-N 1 1 338.415 0.862 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000946496300 611285090 /nfs/dbraw/zinc/28/50/90/611285090.db2.gz MGLYBCUJMGVMLC-WFASDCNBSA-N 1 1 343.431 0.805 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@@H]1C ZINC000947925852 611285568 /nfs/dbraw/zinc/28/55/68/611285568.db2.gz SIJWICVBLFVFEE-WDEREUQCSA-N 1 1 334.376 0.502 20 30 ECEDMO CN(CC#N)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000101536410 611293192 /nfs/dbraw/zinc/29/31/92/611293192.db2.gz BAWGCBNKCXFUDA-GOSISDBHSA-N 1 1 341.415 0.986 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000834691043 611296821 /nfs/dbraw/zinc/29/68/21/611296821.db2.gz HQISAKRAJFFYAI-OWCLPIDISA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000834805038 611302258 /nfs/dbraw/zinc/30/22/58/611302258.db2.gz DHTZWLJYUOMCCJ-GASCZTMLSA-N 1 1 341.452 0.263 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000834805038 611302261 /nfs/dbraw/zinc/30/22/61/611302261.db2.gz DHTZWLJYUOMCCJ-GASCZTMLSA-N 1 1 341.452 0.263 20 30 ECEDMO Cc1cnc(C=NNC(=S)NCCC[NH+]2CCOCC2)s1 ZINC000834924791 611305636 /nfs/dbraw/zinc/30/56/36/611305636.db2.gz FTVWXJCFARDVJZ-UHFFFAOYSA-N 1 1 327.479 0.972 20 30 ECEDMO COc1ccc2c(c1)C(=NNCCC[NH+]1CCOCC1)C(=O)N2C ZINC000844593034 611321228 /nfs/dbraw/zinc/32/12/28/611321228.db2.gz BHNBKZVMPBBASI-UHFFFAOYSA-N 1 1 332.404 0.688 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000865536868 611326733 /nfs/dbraw/zinc/32/67/33/611326733.db2.gz NRHDTEAHFJAIMJ-UHFFFAOYSA-N 1 1 338.415 0.487 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000865536868 611326735 /nfs/dbraw/zinc/32/67/35/611326735.db2.gz NRHDTEAHFJAIMJ-UHFFFAOYSA-N 1 1 338.415 0.487 20 30 ECEDMO C[N@@H+](CCNC(=O)c1cc(F)c(C#N)c(F)c1)CCOCCO ZINC000922114498 611336810 /nfs/dbraw/zinc/33/68/10/611336810.db2.gz ULDGLEHTKQXDGW-UHFFFAOYSA-N 1 1 327.331 0.507 20 30 ECEDMO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000922341833 611347253 /nfs/dbraw/zinc/34/72/53/611347253.db2.gz UXWDULYRNVSJCW-KRWDZBQOSA-N 1 1 338.496 0.407 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(CN2CCNC2=O)CC1)C1CC1 ZINC000933590181 611734802 /nfs/dbraw/zinc/73/48/02/611734802.db2.gz JVVAPRQHDONLGZ-KRWDZBQOSA-N 1 1 333.436 0.532 20 30 ECEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000929264803 611741093 /nfs/dbraw/zinc/74/10/93/611741093.db2.gz ZOOUMANGGZZAGW-GOSISDBHSA-N 1 1 345.443 0.973 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H](C)C2)cn1 ZINC000947947912 611752350 /nfs/dbraw/zinc/75/23/50/611752350.db2.gz KLGXBARYXVOTDD-SUMWQHHRSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H](C)C2)cn1 ZINC000947947912 611752351 /nfs/dbraw/zinc/75/23/51/611752351.db2.gz KLGXBARYXVOTDD-SUMWQHHRSA-N 1 1 340.427 0.924 20 30 ECEDMO CN1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC[N@@H+](C)CC1 ZINC000933991064 611763981 /nfs/dbraw/zinc/76/39/81/611763981.db2.gz XXVZVVZUNYGMIB-SFHVURJKSA-N 1 1 346.475 0.672 20 30 ECEDMO CN1CCN(C)CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000933991064 611763983 /nfs/dbraw/zinc/76/39/83/611763983.db2.gz XXVZVVZUNYGMIB-SFHVURJKSA-N 1 1 346.475 0.672 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2c3ccccc3CC[N@H+]2CCO)nn1 ZINC000948970245 611777462 /nfs/dbraw/zinc/77/74/62/611777462.db2.gz VCPQLRIABORAKC-KRWDZBQOSA-N 1 1 341.415 0.786 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2c3ccccc3CC[N@@H+]2CCO)nn1 ZINC000948970245 611777464 /nfs/dbraw/zinc/77/74/64/611777464.db2.gz VCPQLRIABORAKC-KRWDZBQOSA-N 1 1 341.415 0.786 20 30 ECEDMO CCN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC000949913009 611812049 /nfs/dbraw/zinc/81/20/49/611812049.db2.gz MNFDFPJPMGDXGN-MRXNPFEDSA-N 1 1 342.403 0.290 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnco2)C1 ZINC000950648326 611816557 /nfs/dbraw/zinc/81/65/57/611816557.db2.gz JAYLPJIBJYXMCB-MCIONIFRSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnco2)C1 ZINC000950648326 611816560 /nfs/dbraw/zinc/81/65/60/611816560.db2.gz JAYLPJIBJYXMCB-MCIONIFRSA-N 1 1 330.388 0.349 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCOC2(CC[NH+](CC(N)=O)CC2)C1 ZINC000949105215 611856051 /nfs/dbraw/zinc/85/60/51/611856051.db2.gz RAHXQJKCWUPNTF-UHFFFAOYSA-N 1 1 343.855 0.944 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnc(C)cn1 ZINC000950753779 611889535 /nfs/dbraw/zinc/88/95/35/611889535.db2.gz NJYHVIKSHYNCHU-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnc(C)cn1 ZINC000950753779 611889538 /nfs/dbraw/zinc/88/95/38/611889538.db2.gz NJYHVIKSHYNCHU-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnn(CC)c1 ZINC000950755166 611890912 /nfs/dbraw/zinc/89/09/12/611890912.db2.gz FLUNIHQDMXPPPM-HOTGVXAUSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnn(CC)c1 ZINC000950755166 611890913 /nfs/dbraw/zinc/89/09/13/611890913.db2.gz FLUNIHQDMXPPPM-HOTGVXAUSA-N 1 1 343.431 0.331 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)O1 ZINC000950762135 611894998 /nfs/dbraw/zinc/89/49/98/611894998.db2.gz SIZXZGFIHHRFKU-FVQBIDKESA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)O1 ZINC000950762135 611894999 /nfs/dbraw/zinc/89/49/99/611894999.db2.gz SIZXZGFIHHRFKU-FVQBIDKESA-N 1 1 333.432 0.226 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950862575 611951176 /nfs/dbraw/zinc/95/11/76/611951176.db2.gz JHCBLWQJBAIEER-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370414 611954655 /nfs/dbraw/zinc/95/46/55/611954655.db2.gz RFHCMXZMMOKECI-IAGOWNOFSA-N 1 1 347.459 0.176 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395258 611963150 /nfs/dbraw/zinc/96/31/50/611963150.db2.gz QIADXDAOBBAACY-QGZVFWFLSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395258 611963151 /nfs/dbraw/zinc/96/31/51/611963151.db2.gz QIADXDAOBBAACY-QGZVFWFLSA-N 1 1 335.448 0.782 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC000949405813 611967677 /nfs/dbraw/zinc/96/76/77/611967677.db2.gz KEAUZSIESNJHIW-HNNXBMFYSA-N 1 1 333.432 0.229 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC000949405813 611967680 /nfs/dbraw/zinc/96/76/80/611967680.db2.gz KEAUZSIESNJHIW-HNNXBMFYSA-N 1 1 333.432 0.229 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC000949447660 611984044 /nfs/dbraw/zinc/98/40/44/611984044.db2.gz XOEYPUKPNVKHTJ-UHFFFAOYSA-N 1 1 344.415 0.821 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC000949447660 611984046 /nfs/dbraw/zinc/98/40/46/611984046.db2.gz XOEYPUKPNVKHTJ-UHFFFAOYSA-N 1 1 344.415 0.821 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949449297 611984960 /nfs/dbraw/zinc/98/49/60/611984960.db2.gz MWYAVCWJRVFALV-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949449297 611984962 /nfs/dbraw/zinc/98/49/62/611984962.db2.gz MWYAVCWJRVFALV-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCC3(CC2)CN(CC#N)CCO3)CC[N@H+]1C ZINC000949451448 611985653 /nfs/dbraw/zinc/98/56/53/611985653.db2.gz ZOGQFWUZEWOZHR-HOTGVXAUSA-N 1 1 334.464 0.934 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000949451985 611985925 /nfs/dbraw/zinc/98/59/25/611985925.db2.gz DNFKARCBYORQMP-AWEZNQCLSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 ZINC000949458793 611988171 /nfs/dbraw/zinc/98/81/71/611988171.db2.gz VONXPUNDKZPWTI-KRWDZBQOSA-N 1 1 333.432 0.372 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC000949470816 611991107 /nfs/dbraw/zinc/99/11/07/611991107.db2.gz KJZRSNZQZDGIIK-UHFFFAOYSA-N 1 1 331.416 0.878 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC000949470816 611991109 /nfs/dbraw/zinc/99/11/09/611991109.db2.gz KJZRSNZQZDGIIK-UHFFFAOYSA-N 1 1 331.416 0.878 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCC3(CC2)CN(CC#N)CCO3)C1 ZINC000949471239 611991795 /nfs/dbraw/zinc/99/17/95/611991795.db2.gz UVGWMNWVOORTSO-UHFFFAOYSA-N 1 1 334.464 0.935 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949479634 611995161 /nfs/dbraw/zinc/99/51/61/611995161.db2.gz BVBLQJHDJYNSJW-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949479634 611995163 /nfs/dbraw/zinc/99/51/63/611995163.db2.gz BVBLQJHDJYNSJW-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)C1 ZINC000949537069 612025473 /nfs/dbraw/zinc/02/54/73/612025473.db2.gz XZHVWFACFKSOMH-CQSZACIVSA-N 1 1 349.431 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2ncc(C)cn2)C1 ZINC000950534746 612058288 /nfs/dbraw/zinc/05/82/88/612058288.db2.gz ZJBXDYFJXXXFEK-KRWDZBQOSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2ncc(C)cn2)C1 ZINC000950534746 612058290 /nfs/dbraw/zinc/05/82/90/612058290.db2.gz ZJBXDYFJXXXFEK-KRWDZBQOSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2coc(C)n2)C1 ZINC000951223261 612087633 /nfs/dbraw/zinc/08/76/33/612087633.db2.gz BQYIBZDHPMBXBT-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2coc(C)n2)C1 ZINC000951223261 612087636 /nfs/dbraw/zinc/08/76/36/612087636.db2.gz BQYIBZDHPMBXBT-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cncn2C)C1 ZINC000951276329 612124297 /nfs/dbraw/zinc/12/42/97/612124297.db2.gz JQLVGKKFFKGLAX-CABCVRRESA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cncn2C)C1 ZINC000951276329 612124299 /nfs/dbraw/zinc/12/42/99/612124299.db2.gz JQLVGKKFFKGLAX-CABCVRRESA-N 1 1 343.431 0.239 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000952014175 612177175 /nfs/dbraw/zinc/17/71/75/612177175.db2.gz HABNOENZHUMQSK-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nc1 ZINC000951378175 612194801 /nfs/dbraw/zinc/19/48/01/612194801.db2.gz OZJWTADFIVABLG-VNQPRFMTSA-N 1 1 340.427 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000954472841 612309706 /nfs/dbraw/zinc/30/97/06/612309706.db2.gz ITSVDMVVZQFWRZ-ZBFHGGJFSA-N 1 1 347.459 0.875 20 30 ECEDMO CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CN(C(=O)C#CC2CC2)C1 ZINC000954510464 612348753 /nfs/dbraw/zinc/34/87/53/612348753.db2.gz BLRUIXDZSMGIOP-OAHLLOKOSA-N 1 1 326.400 0.843 20 30 ECEDMO C=C1CCC(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000955222486 612363067 /nfs/dbraw/zinc/36/30/67/612363067.db2.gz URBHOVKZUWBURW-INIZCTEOSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CCC(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000955222486 612363070 /nfs/dbraw/zinc/36/30/70/612363070.db2.gz URBHOVKZUWBURW-INIZCTEOSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)CC2CCOCC2)C1 ZINC000953921649 612448329 /nfs/dbraw/zinc/44/83/29/612448329.db2.gz ADZFUXGFGUWMST-KRWDZBQOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)CC2CCOCC2)C1 ZINC000953921649 612448332 /nfs/dbraw/zinc/44/83/32/612448332.db2.gz ADZFUXGFGUWMST-KRWDZBQOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2=COCCC2)C1 ZINC000954630377 612467029 /nfs/dbraw/zinc/46/70/29/612467029.db2.gz DMXNKKIOISWDIV-INIZCTEOSA-N 1 1 331.416 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2=COCCC2)C1 ZINC000954630377 612467032 /nfs/dbraw/zinc/46/70/32/612467032.db2.gz DMXNKKIOISWDIV-INIZCTEOSA-N 1 1 331.416 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ocnc2CC)C1 ZINC000954630888 612468995 /nfs/dbraw/zinc/46/89/95/612468995.db2.gz NZUKACCWMHNJCO-HNNXBMFYSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ocnc2CC)C1 ZINC000954630888 612468998 /nfs/dbraw/zinc/46/89/98/612468998.db2.gz NZUKACCWMHNJCO-HNNXBMFYSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC2=CCOCC2)C1 ZINC000954631284 612469006 /nfs/dbraw/zinc/46/90/06/612469006.db2.gz UTUVQSHLYZDSTM-KRWDZBQOSA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC2=CCOCC2)C1 ZINC000954631284 612469009 /nfs/dbraw/zinc/46/90/09/612469009.db2.gz UTUVQSHLYZDSTM-KRWDZBQOSA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000954631454 612470279 /nfs/dbraw/zinc/47/02/79/612470279.db2.gz XTPBRWUPGSJIRV-HWMZRRJGSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000954631454 612470283 /nfs/dbraw/zinc/47/02/83/612470283.db2.gz XTPBRWUPGSJIRV-HWMZRRJGSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccncn2)C1 ZINC000951764554 612578250 /nfs/dbraw/zinc/57/82/50/612578250.db2.gz VJRMSGDEIKJYSS-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccncn2)C1 ZINC000951764554 612578251 /nfs/dbraw/zinc/57/82/51/612578251.db2.gz VJRMSGDEIKJYSS-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956837253 612607840 /nfs/dbraw/zinc/60/78/40/612607840.db2.gz IQOHWYLIOHQXQD-UGSOOPFHSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccns1 ZINC000956042348 612642117 /nfs/dbraw/zinc/64/21/17/612642117.db2.gz IVTMMAWZNXHUQM-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccns1 ZINC000956042348 612642120 /nfs/dbraw/zinc/64/21/20/612642120.db2.gz IVTMMAWZNXHUQM-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccsn1 ZINC000956070505 612675398 /nfs/dbraw/zinc/67/53/98/612675398.db2.gz STTHMKIANGZAJF-ZFWWWQNUSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccsn1 ZINC000956070505 612675399 /nfs/dbraw/zinc/67/53/99/612675399.db2.gz STTHMKIANGZAJF-ZFWWWQNUSA-N 1 1 346.456 0.962 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954839200 612733955 /nfs/dbraw/zinc/73/39/55/612733955.db2.gz HWJLHOMSKFPWEJ-IMJJTQAJSA-N 1 1 335.448 0.589 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)nc1 ZINC000954918123 612786773 /nfs/dbraw/zinc/78/67/73/612786773.db2.gz YVHVQVKFBFIJFN-HUUCEWRRSA-N 1 1 349.394 0.873 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000954393896 612889355 /nfs/dbraw/zinc/88/93/55/612889355.db2.gz HRTNMCSNYWJKPT-RDJZCZTQSA-N 1 1 346.431 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CCN(C(=O)CC)CC2)C1 ZINC000956567782 612913542 /nfs/dbraw/zinc/91/35/42/612913542.db2.gz TXIFBQIMBFATTK-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CCN(C(=O)CC)CC2)C1 ZINC000956567782 612913543 /nfs/dbraw/zinc/91/35/43/612913543.db2.gz TXIFBQIMBFATTK-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC001041782130 782193993 /nfs/dbraw/zinc/19/39/93/782193993.db2.gz RIIWEXKBIAUWJW-CRAIPNDOSA-N 1 1 332.448 0.867 20 30 ECEDMO CCOC(=O)c1cc(C)nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C#N ZINC001164666907 719383380 /nfs/dbraw/zinc/38/33/80/719383380.db2.gz MCCZUWZWXGDZDU-GJZGRUSLSA-N 1 1 330.388 0.958 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)c[nH]c3=O)[C@H]2C1 ZINC001083236566 735511869 /nfs/dbraw/zinc/51/18/69/735511869.db2.gz JJGBAXQBAMUENM-JKSUJKDBSA-N 1 1 329.400 0.898 20 30 ECEDMO Cn1cnnc1C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001024933040 738408128 /nfs/dbraw/zinc/40/81/28/738408128.db2.gz MPFZLFWGPCUEFQ-CYBMUJFWSA-N 1 1 327.392 0.799 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCC4)[C@H]2C1 ZINC001083275990 738512918 /nfs/dbraw/zinc/51/29/18/738512918.db2.gz HUZCOVZDRCEOEU-DLBZAZTESA-N 1 1 341.411 0.824 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000969142209 731521717 /nfs/dbraw/zinc/52/17/17/731521717.db2.gz YRMLTILIUZSGJC-CYBMUJFWSA-N 1 1 332.404 0.484 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ncc(OC)cn2)[C@@H](n2ccnn2)C1 ZINC001069974768 790267333 /nfs/dbraw/zinc/26/73/33/790267333.db2.gz PWYBCZSLOGIAFB-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ncc(OC)cn2)[C@@H](n2ccnn2)C1 ZINC001069974768 790267337 /nfs/dbraw/zinc/26/73/37/790267337.db2.gz PWYBCZSLOGIAFB-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000969151186 731527084 /nfs/dbraw/zinc/52/70/84/731527084.db2.gz RRWDJNHZLBXTTQ-KBPBESRZSA-N 1 1 327.450 0.062 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1ncccc1C#N ZINC001125279706 731565454 /nfs/dbraw/zinc/56/54/54/731565454.db2.gz MXWBWWXYUQMYKG-HOCLYGCPSA-N 1 1 345.447 0.693 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)C3CCOCC3)C2)C1=O ZINC000969192376 731575033 /nfs/dbraw/zinc/57/50/33/731575033.db2.gz JZXDEYWWWISOON-XJKSGUPXSA-N 1 1 335.448 0.636 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1COCCO1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969321237 731717449 /nfs/dbraw/zinc/71/74/49/731717449.db2.gz BRJXEMLSKFCZQI-GUYCJALGSA-N 1 1 329.400 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cnsn3)C2)C1=O ZINC000969346375 731746595 /nfs/dbraw/zinc/74/65/95/731746595.db2.gz PXFRBCWHVORVFT-GXFFZTMASA-N 1 1 335.433 0.375 20 30 ECEDMO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973011976 738542633 /nfs/dbraw/zinc/54/26/33/738542633.db2.gz YDCJKVJCZVPZLO-UONOGXRCSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973011976 738542635 /nfs/dbraw/zinc/54/26/35/738542635.db2.gz YDCJKVJCZVPZLO-UONOGXRCSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC000969421229 731848263 /nfs/dbraw/zinc/84/82/63/731848263.db2.gz VVDGTCCMLVMOQI-UKRRQHHQSA-N 1 1 345.447 0.864 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CN(C)c2ncccc2C#N)CC[N@H+]1C ZINC001125299221 731908817 /nfs/dbraw/zinc/90/88/17/731908817.db2.gz JRHLGTXQDAMYCR-VNQPRFMTSA-N 1 1 345.447 0.549 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000969463600 731910257 /nfs/dbraw/zinc/91/02/57/731910257.db2.gz QJBUCGCWEBSZCU-WBMJQRKESA-N 1 1 341.415 0.723 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1COCCN1C)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969517286 731937139 /nfs/dbraw/zinc/93/71/39/731937139.db2.gz IRPQNCGWHPLCDN-LPHOPBHVSA-N 1 1 341.455 0.805 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969592754 731991446 /nfs/dbraw/zinc/99/14/46/731991446.db2.gz AMRRZIWRGMYSSV-RNCFNFMXSA-N 1 1 334.401 0.665 20 30 ECEDMO C[C@@H](NC(=O)c1cn(C)nn1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969617993 732009444 /nfs/dbraw/zinc/00/94/44/732009444.db2.gz WBJGPIAJPADEDT-SNVBAGLBSA-N 1 1 330.417 0.999 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn(C)nc3Cl)[C@H]2C1 ZINC001083191665 732084733 /nfs/dbraw/zinc/08/47/33/732084733.db2.gz KBSGGPHYXBEANO-UONOGXRCSA-N 1 1 336.823 0.551 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn(C)nc3Cl)[C@H]2C1 ZINC001083191665 732084737 /nfs/dbraw/zinc/08/47/37/732084737.db2.gz KBSGGPHYXBEANO-UONOGXRCSA-N 1 1 336.823 0.551 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 ZINC001041811453 782251446 /nfs/dbraw/zinc/25/14/46/782251446.db2.gz OSTUIGAOVPZUNW-KRWDZBQOSA-N 1 1 333.436 0.391 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 ZINC001041811856 782252458 /nfs/dbraw/zinc/25/24/58/782252458.db2.gz SWGPGGGVJZAMNG-GOSISDBHSA-N 1 1 347.463 0.781 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969841715 732429042 /nfs/dbraw/zinc/42/90/42/732429042.db2.gz LHHCUWTYCAQBMC-AWEZNQCLSA-N 1 1 330.432 0.957 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)c1 ZINC000969888973 732485660 /nfs/dbraw/zinc/48/56/60/732485660.db2.gz XFBMPKLDNMGHIK-CQSZACIVSA-N 1 1 337.387 0.389 20 30 ECEDMO C#CCN1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193753 732626815 /nfs/dbraw/zinc/62/68/15/732626815.db2.gz HBLYXSRJRPYZMN-BHYGNILZSA-N 1 1 328.416 0.299 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cncs2)C1 ZINC000973074668 738634017 /nfs/dbraw/zinc/63/40/17/738634017.db2.gz YRXMRWIYTLZZIB-AVGNSLFASA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cncs2)C1 ZINC000973074668 738634020 /nfs/dbraw/zinc/63/40/20/738634020.db2.gz YRXMRWIYTLZZIB-AVGNSLFASA-N 1 1 332.429 0.618 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccnnc3C)C2)C1=O ZINC000970065426 732709394 /nfs/dbraw/zinc/70/93/94/732709394.db2.gz ZJZCKYFPBNKZHO-LRDDRELGSA-N 1 1 343.431 0.622 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC001041828869 782286721 /nfs/dbraw/zinc/28/67/21/782286721.db2.gz JLTRIJWYIDCTFN-SFHVURJKSA-N 1 1 338.415 0.615 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836153 782311787 /nfs/dbraw/zinc/31/17/87/782311787.db2.gz PSACPYGQHQIWIS-TZMCWYRMSA-N 1 1 347.868 0.355 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836153 782311797 /nfs/dbraw/zinc/31/17/97/782311797.db2.gz PSACPYGQHQIWIS-TZMCWYRMSA-N 1 1 347.868 0.355 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1cc(C)ncn1 ZINC001125327627 733049147 /nfs/dbraw/zinc/04/91/47/733049147.db2.gz WINWBCPIMQKZNI-CVEARBPZSA-N 1 1 345.447 0.138 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1cc(C)ncn1 ZINC001125327627 733049150 /nfs/dbraw/zinc/04/91/50/733049150.db2.gz WINWBCPIMQKZNI-CVEARBPZSA-N 1 1 345.447 0.138 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3ncccn3)C2)nn1 ZINC000970206571 733201621 /nfs/dbraw/zinc/20/16/21/733201621.db2.gz YGUUQSJSDQVCFU-CHWSQXEVSA-N 1 1 327.392 0.819 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](C[C@@H](C)O)C3)C2)CC1 ZINC001041845001 782325858 /nfs/dbraw/zinc/32/58/58/782325858.db2.gz RHFVXACGFSJNQM-VQIMIIECSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C[C@@H](C)O)C3)C2)CC1 ZINC001041845001 782325867 /nfs/dbraw/zinc/32/58/67/782325867.db2.gz RHFVXACGFSJNQM-VQIMIIECSA-N 1 1 333.476 0.637 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000970265356 733274684 /nfs/dbraw/zinc/27/46/84/733274684.db2.gz PJYBCFALILUCFZ-NHYWBVRUSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970289623 733314317 /nfs/dbraw/zinc/31/43/17/733314317.db2.gz KCDBCDOVYFUCNZ-VIFPVBQESA-N 1 1 331.405 0.394 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970359703 733412213 /nfs/dbraw/zinc/41/22/13/733412213.db2.gz VCSZUVLDJLPEIS-ABAIWWIYSA-N 1 1 327.388 0.176 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC000970401668 733473243 /nfs/dbraw/zinc/47/32/43/733473243.db2.gz QQUHIZYUQDTABI-DYVFJYSZSA-N 1 1 340.427 0.734 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1cnc(C#N)cn1 ZINC001104268920 733535269 /nfs/dbraw/zinc/53/52/69/733535269.db2.gz VTHCKRMJXVERFC-YRGRVCCFSA-N 1 1 332.408 0.232 20 30 ECEDMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1cnc(C#N)cn1 ZINC001104268920 733535272 /nfs/dbraw/zinc/53/52/72/733535272.db2.gz VTHCKRMJXVERFC-YRGRVCCFSA-N 1 1 332.408 0.232 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N(C)C)C2)cc1 ZINC000970538881 733657469 /nfs/dbraw/zinc/65/74/69/733657469.db2.gz WAYZRZLOBQMPGT-CQSZACIVSA-N 1 1 343.427 0.837 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC000970545462 733664227 /nfs/dbraw/zinc/66/42/27/733664227.db2.gz ZLEJLXQBCCQDDC-VIFPVBQESA-N 1 1 329.326 0.907 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCC3)C2)nn1 ZINC000970551515 733667734 /nfs/dbraw/zinc/66/77/34/733667734.db2.gz GQLYCPKTXYIRLX-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC000970655670 733783523 /nfs/dbraw/zinc/78/35/23/733783523.db2.gz HBTZCLFUNROPPB-CABCVRRESA-N 1 1 349.475 0.763 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001039201818 733828164 /nfs/dbraw/zinc/82/81/64/733828164.db2.gz GHTFMEOEJLFAQV-ZBFHGGJFSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001039201818 733828166 /nfs/dbraw/zinc/82/81/66/733828166.db2.gz GHTFMEOEJLFAQV-ZBFHGGJFSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970758808 733918508 /nfs/dbraw/zinc/91/85/08/733918508.db2.gz ADCQUSWRPPNTBC-WFASDCNBSA-N 1 1 342.399 0.032 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC000970763226 733925222 /nfs/dbraw/zinc/92/52/22/733925222.db2.gz JVGLTHCEGUSUCT-QWHCGFSZSA-N 1 1 328.416 0.590 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000970764695 733926848 /nfs/dbraw/zinc/92/68/48/733926848.db2.gz WUSYWJAACMMWBF-BZNIZROVSA-N 1 1 344.390 0.912 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC000970836984 734001586 /nfs/dbraw/zinc/00/15/86/734001586.db2.gz CRPJREBITOUSOG-SWLSCSKDSA-N 1 1 344.415 0.624 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001111488495 734140876 /nfs/dbraw/zinc/14/08/76/734140876.db2.gz LWRROFSRHSFIFF-YJNKXOJESA-N 1 1 349.431 0.448 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001111488495 734140878 /nfs/dbraw/zinc/14/08/78/734140878.db2.gz LWRROFSRHSFIFF-YJNKXOJESA-N 1 1 349.431 0.448 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cnc(C)cn3)C2)C1=O ZINC000971016383 734180887 /nfs/dbraw/zinc/18/08/87/734180887.db2.gz UWAGOXMXWDMGDY-HOCLYGCPSA-N 1 1 343.431 0.718 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cnn(C)c3)C2)C1=O ZINC000971049931 734212097 /nfs/dbraw/zinc/21/20/97/734212097.db2.gz VXHYTVPFLGYNMQ-LSDHHAIUSA-N 1 1 331.420 0.353 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CNc3ccncc3C#N)CC2)C1 ZINC001067477156 734235004 /nfs/dbraw/zinc/23/50/04/734235004.db2.gz RMGAHWJCFJXJEM-AWEZNQCLSA-N 1 1 343.431 0.092 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001078163372 782408711 /nfs/dbraw/zinc/40/87/11/782408711.db2.gz KFDDGHOEDBOLST-GDBMZVCRSA-N 1 1 329.404 0.802 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001078163372 782408716 /nfs/dbraw/zinc/40/87/16/782408716.db2.gz KFDDGHOEDBOLST-GDBMZVCRSA-N 1 1 329.404 0.802 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(c3ccc(C#N)cn3)CCO2)C1 ZINC001104321659 734296124 /nfs/dbraw/zinc/29/61/24/734296124.db2.gz LFSJDKVMZHOOCB-GOEBONIOSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C)n[nH]3)C2)C1=O ZINC000971160763 734326012 /nfs/dbraw/zinc/32/60/12/734326012.db2.gz MKKNLHODXOFJPZ-UKRRQHHQSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000971160763 734326013 /nfs/dbraw/zinc/32/60/13/734326013.db2.gz MKKNLHODXOFJPZ-UKRRQHHQSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000971160763 734326014 /nfs/dbraw/zinc/32/60/14/734326014.db2.gz MKKNLHODXOFJPZ-UKRRQHHQSA-N 1 1 331.420 0.651 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCSC)C1 ZINC001111585127 734333913 /nfs/dbraw/zinc/33/39/13/734333913.db2.gz GFZWSTKPATZIQW-ZQIUZPCESA-N 1 1 337.489 0.848 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 ZINC001104329123 734349509 /nfs/dbraw/zinc/34/95/09/734349509.db2.gz WBVYZJKJOLHEOD-ZDUSSCGKSA-N 1 1 332.408 0.011 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(c2cc(C)[nH+]c(C)n2)CCO1 ZINC001104330292 734369603 /nfs/dbraw/zinc/36/96/03/734369603.db2.gz LTGITRKLINAIQD-HNNXBMFYSA-N 1 1 332.404 0.455 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CCO1 ZINC001104330364 734369904 /nfs/dbraw/zinc/36/99/04/734369904.db2.gz NOZGHEWBALUBJB-DZGCQCFKSA-N 1 1 332.404 0.453 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2cc(C)[nH+]c(C)n2)CCO1 ZINC001104330365 734370143 /nfs/dbraw/zinc/37/01/43/734370143.db2.gz NOZGHEWBALUBJB-HIFRSBDPSA-N 1 1 332.404 0.453 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)C(=O)C(C)(C)C)C2)C1=O ZINC000971224781 734374748 /nfs/dbraw/zinc/37/47/48/734374748.db2.gz BWWBKUGSFXHQHY-ZIAGYGMSSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)C(=O)C(C)(C)C)C2)C1=O ZINC000971224781 734374750 /nfs/dbraw/zinc/37/47/50/734374750.db2.gz BWWBKUGSFXHQHY-ZIAGYGMSSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1=O ZINC000971250911 734388548 /nfs/dbraw/zinc/38/85/48/734388548.db2.gz QRWKXRGDQMCRTN-LSDHHAIUSA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000971250911 734388554 /nfs/dbraw/zinc/38/85/54/734388554.db2.gz QRWKXRGDQMCRTN-LSDHHAIUSA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000971250911 734388556 /nfs/dbraw/zinc/38/85/56/734388556.db2.gz QRWKXRGDQMCRTN-LSDHHAIUSA-N 1 1 331.420 0.272 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000971378307 734489236 /nfs/dbraw/zinc/48/92/36/734489236.db2.gz HZZPQTREMULIRS-QZTJIDSGSA-N 1 1 342.443 0.922 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3ncccc3O)C2)C1=O ZINC000971394185 734506817 /nfs/dbraw/zinc/50/68/17/734506817.db2.gz NKHDSMYTAFSPGF-UONOGXRCSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ncccc3O)C2)C1=O ZINC000971394185 734506819 /nfs/dbraw/zinc/50/68/19/734506819.db2.gz NKHDSMYTAFSPGF-UONOGXRCSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCC(=C)C)C[C@@H]32)nn1 ZINC001083217881 734565292 /nfs/dbraw/zinc/56/52/92/734565292.db2.gz RYRLOPILYRBHMN-JKSUJKDBSA-N 1 1 331.420 0.956 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451596 734609643 /nfs/dbraw/zinc/60/96/43/734609643.db2.gz LTBRQKVDSQUTPK-ZFWWWQNUSA-N 1 1 346.362 0.838 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCOC)C[C@@H]32)nn1 ZINC001083219660 734674514 /nfs/dbraw/zinc/67/45/14/734674514.db2.gz HZYNZSFYUKKFOI-LSDHHAIUSA-N 1 1 335.408 0.026 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCOC)C[C@@H]32)nn1 ZINC001083219660 734674518 /nfs/dbraw/zinc/67/45/18/734674518.db2.gz HZYNZSFYUKKFOI-LSDHHAIUSA-N 1 1 335.408 0.026 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCO1 ZINC000971512196 734698400 /nfs/dbraw/zinc/69/84/00/734698400.db2.gz ZTPXNPREFNJPCA-GDBMZVCRSA-N 1 1 333.432 0.180 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCO1 ZINC000971512196 734698403 /nfs/dbraw/zinc/69/84/03/734698403.db2.gz ZTPXNPREFNJPCA-GDBMZVCRSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)N3CCOCC3)CC2)C1 ZINC000949537058 734701744 /nfs/dbraw/zinc/70/17/44/734701744.db2.gz XTQKTMBRMGBJBZ-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)N3CCOCC3)CC2)C1 ZINC000949537058 734701747 /nfs/dbraw/zinc/70/17/47/734701747.db2.gz XTQKTMBRMGBJBZ-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC000971688236 734949238 /nfs/dbraw/zinc/94/92/38/734949238.db2.gz URCGRBNNTAIGIU-HNNXBMFYSA-N 1 1 345.447 0.846 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](n2ccnn2)C1 ZINC001069987114 790281815 /nfs/dbraw/zinc/28/18/15/790281815.db2.gz RQIYFZQOYGRFTM-NCOADZHNSA-N 1 1 343.431 0.458 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1 ZINC000971706273 734967062 /nfs/dbraw/zinc/96/70/62/734967062.db2.gz QHKYWUVTZUBXCF-IJEWVQPXSA-N 1 1 341.415 0.511 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(Nc3nccnc3C#N)CCCC2)C1 ZINC001104379250 735055337 /nfs/dbraw/zinc/05/53/37/735055337.db2.gz IKWQABBKGTWUMC-CQSZACIVSA-N 1 1 344.419 0.520 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(Nc3nccnc3C#N)CCCC2)C1 ZINC001104379250 735055341 /nfs/dbraw/zinc/05/53/41/735055341.db2.gz IKWQABBKGTWUMC-CQSZACIVSA-N 1 1 344.419 0.520 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001078191067 782467105 /nfs/dbraw/zinc/46/71/05/782467105.db2.gz OYHYNZYBISUBNI-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001078191067 782467109 /nfs/dbraw/zinc/46/71/09/782467109.db2.gz OYHYNZYBISUBNI-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)Nc2cncc(C#N)n2)C1 ZINC001098214934 735171612 /nfs/dbraw/zinc/17/16/12/735171612.db2.gz CDMIUWNGCWWOQL-OCCSQVGLSA-N 1 1 332.408 0.374 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)Nc2ccncc2C#N)C1 ZINC001098215072 735212409 /nfs/dbraw/zinc/21/24/09/735212409.db2.gz FWABUGVKQWZTSJ-CZUORRHYSA-N 1 1 331.420 0.401 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025239168 738889281 /nfs/dbraw/zinc/88/92/81/738889281.db2.gz CFPGWVLHNSNAJM-DLBZAZTESA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)Cn2c(C)csc2=O)CC1 ZINC001098558409 735253094 /nfs/dbraw/zinc/25/30/94/735253094.db2.gz BCPWTOIPRKHYKG-UHFFFAOYSA-N 1 1 337.445 0.137 20 30 ECEDMO CCCSCC(=O)NC[C@H]1C[N@H+](CC#CCOC)CCCO1 ZINC001149263098 735646200 /nfs/dbraw/zinc/64/62/00/735646200.db2.gz KTQPPKJESFBEPJ-HNNXBMFYSA-N 1 1 328.478 0.987 20 30 ECEDMO CCCSCC(=O)NC[C@H]1C[N@@H+](CC#CCOC)CCCO1 ZINC001149263098 735646202 /nfs/dbraw/zinc/64/62/02/735646202.db2.gz KTQPPKJESFBEPJ-HNNXBMFYSA-N 1 1 328.478 0.987 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)[C@@H](n2ccnn2)C1 ZINC001069988204 790282811 /nfs/dbraw/zinc/28/28/11/790282811.db2.gz MMPYUHJZYVCYHE-ZNMIVQPWSA-N 1 1 346.435 0.112 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CNC(=O)[C@H](C)CC)CC1 ZINC001098564322 735684637 /nfs/dbraw/zinc/68/46/37/735684637.db2.gz XBPAWNKEJFZKHR-OAHLLOKOSA-N 1 1 337.464 0.457 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2cncc(C(N)=O)c2)CC1 ZINC001098566685 735853786 /nfs/dbraw/zinc/85/37/86/735853786.db2.gz IPARTJPXRHGPOK-UHFFFAOYSA-N 1 1 344.415 0.103 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCC(=O)NC3=O)C2)c1 ZINC000972284511 735888668 /nfs/dbraw/zinc/88/86/68/735888668.db2.gz LFZYWYMTXNSBCN-GJZGRUSLSA-N 1 1 340.383 0.014 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)c1 ZINC000972292549 735900053 /nfs/dbraw/zinc/90/00/53/735900053.db2.gz SFIFSEVNWMJFQX-HOTGVXAUSA-N 1 1 326.400 0.440 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@H+](CCCN1CCCC1=O)CCO2 ZINC000972298479 735908148 /nfs/dbraw/zinc/90/81/48/735908148.db2.gz TYDXRMFKVXGFLV-QAPCUYQASA-N 1 1 348.447 0.462 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCCN1CCCC1=O)CCO2 ZINC000972298479 735908150 /nfs/dbraw/zinc/90/81/50/735908150.db2.gz TYDXRMFKVXGFLV-QAPCUYQASA-N 1 1 348.447 0.462 20 30 ECEDMO CO[C@H](C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972322066 735941811 /nfs/dbraw/zinc/94/18/11/735941811.db2.gz ZQVCGRDBESPNIU-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO CO[C@H](C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972322066 735941814 /nfs/dbraw/zinc/94/18/14/735941814.db2.gz ZQVCGRDBESPNIU-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCN2C(=O)CCC2=O)C1 ZINC000972376163 736041102 /nfs/dbraw/zinc/04/11/02/736041102.db2.gz YILYVFDGHPVRHO-KFWWJZLASA-N 1 1 349.431 0.259 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)OCCOCC)CC1 ZINC001098570696 736123479 /nfs/dbraw/zinc/12/34/79/736123479.db2.gz GQWWBPBOBQJUJX-OAHLLOKOSA-N 1 1 326.437 0.347 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972408902 736140173 /nfs/dbraw/zinc/14/01/73/736140173.db2.gz QDTXJRKQBFHWCH-KSSFIOAISA-N 1 1 349.431 0.403 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972408902 736140175 /nfs/dbraw/zinc/14/01/75/736140175.db2.gz QDTXJRKQBFHWCH-KSSFIOAISA-N 1 1 349.431 0.403 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccnnc3)C2)C1=O ZINC000972418045 736157712 /nfs/dbraw/zinc/15/77/12/736157712.db2.gz BDEPCOJFIUVTDO-CABCVRRESA-N 1 1 329.404 0.410 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccnnc3)C2)C1=O ZINC000972418049 736157831 /nfs/dbraw/zinc/15/78/31/736157831.db2.gz BDEPCOJFIUVTDO-LSDHHAIUSA-N 1 1 329.404 0.410 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001078219910 782511840 /nfs/dbraw/zinc/51/18/40/782511840.db2.gz REYIZGZXAOWLGJ-BZUAXINKSA-N 1 1 335.448 0.352 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000972426082 736175060 /nfs/dbraw/zinc/17/50/60/736175060.db2.gz SQJMUPXKWGKPQI-CRAIPNDOSA-N 1 1 335.448 0.925 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001098571502 736177727 /nfs/dbraw/zinc/17/77/27/736177727.db2.gz RZADPJYBAWYCGG-OAHLLOKOSA-N 1 1 345.447 0.149 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972439606 736197129 /nfs/dbraw/zinc/19/71/29/736197129.db2.gz WRKUGCBOXSYORD-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972439606 736197130 /nfs/dbraw/zinc/19/71/30/736197130.db2.gz WRKUGCBOXSYORD-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001041972570 782520807 /nfs/dbraw/zinc/52/08/07/782520807.db2.gz CCAOJZWHMLONJJ-UHFFFAOYSA-N 1 1 345.443 0.774 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001041972570 782520812 /nfs/dbraw/zinc/52/08/12/782520812.db2.gz CCAOJZWHMLONJJ-UHFFFAOYSA-N 1 1 345.443 0.774 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3n[nH]c4c3CCC4)C2)C1 ZINC000972447003 736218417 /nfs/dbraw/zinc/21/84/17/736218417.db2.gz OQPFDIONHFEDPY-SFHVURJKSA-N 1 1 328.416 0.839 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3n[nH]c4c3CCC4)C2)C1 ZINC000972447003 736218421 /nfs/dbraw/zinc/21/84/21/736218421.db2.gz OQPFDIONHFEDPY-SFHVURJKSA-N 1 1 328.416 0.839 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC000972448565 736227541 /nfs/dbraw/zinc/22/75/41/736227541.db2.gz AINLQLDWZLNBBI-KRWDZBQOSA-N 1 1 336.436 0.281 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972456001 736245032 /nfs/dbraw/zinc/24/50/32/736245032.db2.gz PPADVRZKBXCVHA-IEBWSBKVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972456001 736245034 /nfs/dbraw/zinc/24/50/34/736245034.db2.gz PPADVRZKBXCVHA-IEBWSBKVSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 ZINC000972480954 736308994 /nfs/dbraw/zinc/30/89/94/736308994.db2.gz WQMSWRUTXXVFIM-QAPCUYQASA-N 1 1 335.448 0.782 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H](C)OC2(CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC001098574868 736450409 /nfs/dbraw/zinc/45/04/09/736450409.db2.gz WDSPFVRKQSOVTM-KBPBESRZSA-N 1 1 348.447 0.507 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCCN(C)C3=O)C2)nn1 ZINC000972507592 736463658 /nfs/dbraw/zinc/46/36/58/736463658.db2.gz ZVBCWATXYSGCHH-HIFRSBDPSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC000972510160 736488408 /nfs/dbraw/zinc/48/84/08/736488408.db2.gz ZOIHGVHMASWVMV-LTIDMASMSA-N 1 1 345.443 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC000972510160 736488409 /nfs/dbraw/zinc/48/84/09/736488409.db2.gz ZOIHGVHMASWVMV-LTIDMASMSA-N 1 1 345.443 0.180 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cncn3C)C2)nn1 ZINC000972515945 736520533 /nfs/dbraw/zinc/52/05/33/736520533.db2.gz DPTXPGWLSYHIQK-AWEZNQCLSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cncn3C)C2)nn1 ZINC000972515945 736520537 /nfs/dbraw/zinc/52/05/37/736520537.db2.gz DPTXPGWLSYHIQK-AWEZNQCLSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cnn(C)c3)C2)C1=O ZINC001023223176 736598709 /nfs/dbraw/zinc/59/87/09/736598709.db2.gz JAJAJZDCNAYOKF-GDBMZVCRSA-N 1 1 345.447 0.649 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@]3(C1)CN(CC#N)CCO3)C2 ZINC000972552278 736698669 /nfs/dbraw/zinc/69/86/69/736698669.db2.gz MRFXTTCUHMZXAT-CRAIPNDOSA-N 1 1 343.431 0.581 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972554562 736735199 /nfs/dbraw/zinc/73/51/99/736735199.db2.gz QERJIWVAZNFYBU-QGZVFWFLSA-N 1 1 332.404 0.607 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001028177429 751374573 /nfs/dbraw/zinc/37/45/73/751374573.db2.gz CCFKGFGPQPHHIA-LLVKDONJSA-N 1 1 340.811 0.031 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001028177429 751374580 /nfs/dbraw/zinc/37/45/80/751374580.db2.gz CCFKGFGPQPHHIA-LLVKDONJSA-N 1 1 340.811 0.031 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nccn4ccnc34)C2)C1 ZINC000972558226 736759967 /nfs/dbraw/zinc/75/99/67/736759967.db2.gz YXYZKQOWIVOASL-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nccn4ccnc34)C2)C1 ZINC000972558226 736759973 /nfs/dbraw/zinc/75/99/73/736759973.db2.gz YXYZKQOWIVOASL-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001023403306 736779890 /nfs/dbraw/zinc/77/98/90/736779890.db2.gz JBUUHDZCKLJIPP-CVEARBPZSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cnns2)C1 ZINC001023422401 736810634 /nfs/dbraw/zinc/81/06/34/736810634.db2.gz MGGFIJXTZJSFRA-ZBFHGGJFSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cnns2)C1 ZINC001023422401 736810635 /nfs/dbraw/zinc/81/06/35/736810635.db2.gz MGGFIJXTZJSFRA-ZBFHGGJFSA-N 1 1 347.488 0.964 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC([N@@H+](CC#CCOC)CCO)CC1 ZINC001098577049 736852564 /nfs/dbraw/zinc/85/25/64/736852564.db2.gz CMRMCZHBDXEVPM-MRXNPFEDSA-N 1 1 338.448 0.513 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001023476238 736885885 /nfs/dbraw/zinc/88/58/85/736885885.db2.gz KJEMNZBLKYXQAL-OAHLLOKOSA-N 1 1 346.431 0.355 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001023502546 736928091 /nfs/dbraw/zinc/92/80/91/736928091.db2.gz FQUZWXREIHZMGU-ZFWWWQNUSA-N 1 1 329.404 0.217 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncc(OC)n3)C2)C1 ZINC000972582234 736945123 /nfs/dbraw/zinc/94/51/23/736945123.db2.gz IVEDUFAKOKROAO-QGZVFWFLSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncc(OC)n3)C2)C1 ZINC000972582234 736945126 /nfs/dbraw/zinc/94/51/26/736945126.db2.gz IVEDUFAKOKROAO-QGZVFWFLSA-N 1 1 330.388 0.425 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](CCOC)CCO3)nn1 ZINC000972585864 736974971 /nfs/dbraw/zinc/97/49/71/736974971.db2.gz RNKAZNCERQARIL-MRXNPFEDSA-N 1 1 335.408 0.027 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCOC)CCO3)nn1 ZINC000972585864 736974976 /nfs/dbraw/zinc/97/49/76/736974976.db2.gz RNKAZNCERQARIL-MRXNPFEDSA-N 1 1 335.408 0.027 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC([N@H+](CCO)C[C@H](C)OC)CC1 ZINC001098577847 737008545 /nfs/dbraw/zinc/00/85/45/737008545.db2.gz SHAUPZXBFAUENN-LSDHHAIUSA-N 1 1 328.453 0.898 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001023558915 737009407 /nfs/dbraw/zinc/00/94/07/737009407.db2.gz XIHDVCZSPXCXPO-CABCVRRESA-N 1 1 329.448 0.772 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001023565158 737012148 /nfs/dbraw/zinc/01/21/48/737012148.db2.gz ZFTDMWAMTCQAFU-WDEREUQCSA-N 1 1 345.241 0.405 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001023565158 737012150 /nfs/dbraw/zinc/01/21/50/737012150.db2.gz ZFTDMWAMTCQAFU-WDEREUQCSA-N 1 1 345.241 0.405 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001023641249 737129586 /nfs/dbraw/zinc/12/95/86/737129586.db2.gz WSSKIHZAVLAQCJ-SFYCDEOASA-N 1 1 334.420 0.379 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001023643545 737132817 /nfs/dbraw/zinc/13/28/17/737132817.db2.gz BEEYBLGYDXAKAY-CHWSQXEVSA-N 1 1 349.884 0.601 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001023643545 737132819 /nfs/dbraw/zinc/13/28/19/737132819.db2.gz BEEYBLGYDXAKAY-CHWSQXEVSA-N 1 1 349.884 0.601 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001023692687 737207223 /nfs/dbraw/zinc/20/72/23/737207223.db2.gz HKWDBVBQNIJEIH-GJZGRUSLSA-N 1 1 331.420 0.705 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC001023707013 737223583 /nfs/dbraw/zinc/22/35/83/737223583.db2.gz GLRRICXVNZLPBX-HUUCEWRRSA-N 1 1 331.416 0.916 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)nc1 ZINC001023709542 737228220 /nfs/dbraw/zinc/22/82/20/737228220.db2.gz VVILAXAFXJWHIQ-HOCLYGCPSA-N 1 1 326.400 0.393 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655217 737261127 /nfs/dbraw/zinc/26/11/27/737261127.db2.gz FXSCRUACHCGNDH-WMZOPIPTSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655217 737261130 /nfs/dbraw/zinc/26/11/30/737261130.db2.gz FXSCRUACHCGNDH-WMZOPIPTSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738673 737272038 /nfs/dbraw/zinc/27/20/38/737272038.db2.gz HHBOOIPZIOCTGG-ZDUSSCGKSA-N 1 1 331.420 0.984 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 ZINC000972669959 737319113 /nfs/dbraw/zinc/31/91/13/737319113.db2.gz WKJHZNIEEURKRB-SFHVURJKSA-N 1 1 330.432 0.896 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 ZINC000972669959 737319115 /nfs/dbraw/zinc/31/91/15/737319115.db2.gz WKJHZNIEEURKRB-SFHVURJKSA-N 1 1 330.432 0.896 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 ZINC000972669958 737319246 /nfs/dbraw/zinc/31/92/46/737319246.db2.gz WKJHZNIEEURKRB-GOSISDBHSA-N 1 1 330.432 0.896 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 ZINC000972669958 737319247 /nfs/dbraw/zinc/31/92/47/737319247.db2.gz WKJHZNIEEURKRB-GOSISDBHSA-N 1 1 330.432 0.896 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCCn2ccnc2)CC1 ZINC001098582067 737336885 /nfs/dbraw/zinc/33/68/85/737336885.db2.gz KKYKZOGGUUIIFU-UHFFFAOYSA-N 1 1 332.448 0.972 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972673431 737342166 /nfs/dbraw/zinc/34/21/66/737342166.db2.gz IJRJECVMBZMFRU-KRWDZBQOSA-N 1 1 332.404 0.607 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972673431 737342170 /nfs/dbraw/zinc/34/21/70/737342170.db2.gz IJRJECVMBZMFRU-KRWDZBQOSA-N 1 1 332.404 0.607 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972675837 737348781 /nfs/dbraw/zinc/34/87/81/737348781.db2.gz BRLUIOFOERLPJQ-QGZVFWFLSA-N 1 1 346.387 0.248 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972675837 737348784 /nfs/dbraw/zinc/34/87/84/737348784.db2.gz BRLUIOFOERLPJQ-QGZVFWFLSA-N 1 1 346.387 0.248 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689450 737387520 /nfs/dbraw/zinc/38/75/20/737387520.db2.gz YKCSKZTZFIYOOM-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689450 737387524 /nfs/dbraw/zinc/38/75/24/737387524.db2.gz YKCSKZTZFIYOOM-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972696937 737409874 /nfs/dbraw/zinc/40/98/74/737409874.db2.gz QXYIVBLYDNFXKH-GOSISDBHSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972696937 737409877 /nfs/dbraw/zinc/40/98/77/737409877.db2.gz QXYIVBLYDNFXKH-GOSISDBHSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069992718 790287414 /nfs/dbraw/zinc/28/74/14/790287414.db2.gz QYYZDGIRWGCMMX-CABCVRRESA-N 1 1 341.419 0.307 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069992718 790287418 /nfs/dbraw/zinc/28/74/18/790287418.db2.gz QYYZDGIRWGCMMX-CABCVRRESA-N 1 1 341.419 0.307 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCC(=O)NC3=O)C2)nc1 ZINC000972754373 737595711 /nfs/dbraw/zinc/59/57/11/737595711.db2.gz XRWPBYQYIOFCBO-HIFRSBDPSA-N 1 1 340.383 0.014 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)cn1 ZINC000972754953 737595770 /nfs/dbraw/zinc/59/57/70/737595770.db2.gz AGUJRDMWEMURPS-HZPDHXFCSA-N 1 1 326.400 0.440 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cc(C)n[nH]3)C(C)(C)C2)C1=O ZINC000972830167 737755372 /nfs/dbraw/zinc/75/53/72/737755372.db2.gz CRSSBIVYSLGFRU-LSDHHAIUSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cc(C)n[nH]3)C(C)(C)C2)C1=O ZINC000972830167 737755374 /nfs/dbraw/zinc/75/53/74/737755374.db2.gz CRSSBIVYSLGFRU-LSDHHAIUSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)C2=COCCO2)C1=O ZINC001024316365 737898070 /nfs/dbraw/zinc/89/80/70/737898070.db2.gz OCBAYJNSFCTSAU-GJZGRUSLSA-N 1 1 349.431 0.632 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)C2=COCCO2)C1=O ZINC001024316365 737898072 /nfs/dbraw/zinc/89/80/72/737898072.db2.gz OCBAYJNSFCTSAU-GJZGRUSLSA-N 1 1 349.431 0.632 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CN=NC3=O)C(C)(C)[C@H]21 ZINC001087281937 738096496 /nfs/dbraw/zinc/09/64/96/738096496.db2.gz ONBBKZUFBZFFIY-YUELXQCFSA-N 1 1 331.420 0.612 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CN=NC3=O)C(C)(C)[C@@H]21 ZINC001087281934 738096531 /nfs/dbraw/zinc/09/65/31/738096531.db2.gz ONBBKZUFBZFFIY-BPLDGKMQSA-N 1 1 331.420 0.612 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001024572862 738120195 /nfs/dbraw/zinc/12/01/95/738120195.db2.gz VYSTZBAKQAOYOS-KSZLIROESA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001024572862 738120197 /nfs/dbraw/zinc/12/01/97/738120197.db2.gz VYSTZBAKQAOYOS-KSZLIROESA-N 1 1 349.475 0.470 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCOCC3=O)C(C)(C)[C@H]21 ZINC001087288717 738122132 /nfs/dbraw/zinc/12/21/32/738122132.db2.gz AVUGUEBZMRTIAM-OLMNPRSZSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1COCCN1CC(F)F ZINC001024575129 738123539 /nfs/dbraw/zinc/12/35/39/738123539.db2.gz HTBVVKCPEUYWLA-LSDHHAIUSA-N 1 1 343.418 0.946 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@H]21 ZINC001087292113 738133372 /nfs/dbraw/zinc/13/33/72/738133372.db2.gz GTKQTSJBTUTYOV-SNPRPXQTSA-N 1 1 333.436 0.373 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001024588720 738139371 /nfs/dbraw/zinc/13/93/71/738139371.db2.gz DLBAJOPPGIEZHI-UONOGXRCSA-N 1 1 346.435 0.484 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001024588720 738139373 /nfs/dbraw/zinc/13/93/73/738139373.db2.gz DLBAJOPPGIEZHI-UONOGXRCSA-N 1 1 346.435 0.484 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CC[C@]2(C)CCC(=O)N2)CC1 ZINC001098589482 738156512 /nfs/dbraw/zinc/15/65/12/738156512.db2.gz WOUWFONGSIAXJC-SFHVURJKSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001024635519 738190037 /nfs/dbraw/zinc/19/00/37/738190037.db2.gz GRAFZSDGJIYHOG-OCCSQVGLSA-N 1 1 349.410 0.920 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001024635519 738190038 /nfs/dbraw/zinc/19/00/38/738190038.db2.gz GRAFZSDGJIYHOG-OCCSQVGLSA-N 1 1 349.410 0.920 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC(N)=O)[C@@H]3C2(C)C)c1 ZINC001087303793 738190375 /nfs/dbraw/zinc/19/03/75/738190375.db2.gz RTTQIRGJSAGXDY-OIISXLGYSA-N 1 1 340.427 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CC(N)=O)[C@@H]3C2(C)C)c1 ZINC001087303793 738190379 /nfs/dbraw/zinc/19/03/79/738190379.db2.gz RTTQIRGJSAGXDY-OIISXLGYSA-N 1 1 340.427 0.767 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N2CCC2)nn1 ZINC001024696019 738224868 /nfs/dbraw/zinc/22/48/68/738224868.db2.gz CQAPOVOGHJHKAB-CQSZACIVSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N2CCC2)nn1 ZINC001024696019 738224869 /nfs/dbraw/zinc/22/48/69/738224869.db2.gz CQAPOVOGHJHKAB-CQSZACIVSA-N 1 1 346.435 0.281 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC(=O)NC(=O)C3)C(C)(C)[C@H]21 ZINC001087309406 738238607 /nfs/dbraw/zinc/23/86/07/738238607.db2.gz GPAJIEGOWJXHAR-KCXAZCMYSA-N 1 1 331.416 0.278 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3C(=O)CCC3=O)C(C)(C)[C@H]21 ZINC001087317529 738284204 /nfs/dbraw/zinc/28/42/04/738284204.db2.gz JMNGNZYYTSSUMD-BVGQSLNGSA-N 1 1 345.443 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)C(C)(C)[C@H]21 ZINC001087318955 738286498 /nfs/dbraw/zinc/28/64/98/738286498.db2.gz GRTNTDZEABERTI-SNPRPXQTSA-N 1 1 328.416 0.966 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(C)c(=O)n3C)C(C)(C)[C@@H]21 ZINC001087319851 738293471 /nfs/dbraw/zinc/29/34/71/738293471.db2.gz VMRLIXPESYWGJW-FVQBIDKESA-N 1 1 344.459 0.966 20 30 ECEDMO CNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C#CC1CC1)C[C@@H](C)O2 ZINC001098591663 738355104 /nfs/dbraw/zinc/35/51/04/738355104.db2.gz BILIZOVJFHBFNC-CQSZACIVSA-N 1 1 333.432 0.228 20 30 ECEDMO Cn1ncc(C[NH2+]C[C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)n1 ZINC001024916603 738393859 /nfs/dbraw/zinc/39/38/59/738393859.db2.gz SHACBXOENUCGER-CQSZACIVSA-N 1 1 327.392 0.799 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025241194 738905068 /nfs/dbraw/zinc/90/50/68/738905068.db2.gz VFITZAHCRGVOED-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2coc(C)n2)C1 ZINC000973202344 738905075 /nfs/dbraw/zinc/90/50/75/738905075.db2.gz MSHDHWPZZSGGIY-YDHLFZDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2coc(C)n2)C1 ZINC000973202344 738905077 /nfs/dbraw/zinc/90/50/77/738905077.db2.gz MSHDHWPZZSGGIY-YDHLFZDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCCNC1=O ZINC001025248458 738928271 /nfs/dbraw/zinc/92/82/71/738928271.db2.gz ZZSRLLFSOTUTMY-JKSUJKDBSA-N 1 1 332.448 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc(=O)n(C)n1 ZINC001025294499 739014473 /nfs/dbraw/zinc/01/44/73/739014473.db2.gz BKCYJMYVJKRUBC-JKSUJKDBSA-N 1 1 328.416 0.873 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)nc2)C1 ZINC001104579463 739037069 /nfs/dbraw/zinc/03/70/69/739037069.db2.gz NLNYVOCZYLCHSB-CJNGLKHVSA-N 1 1 331.420 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)nc2)C1 ZINC001104579463 739037070 /nfs/dbraw/zinc/03/70/70/739037070.db2.gz NLNYVOCZYLCHSB-CJNGLKHVSA-N 1 1 331.420 0.933 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104579921 739072526 /nfs/dbraw/zinc/07/25/26/739072526.db2.gz SJYNIOHASKNJEA-OCCSQVGLSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104579921 739072531 /nfs/dbraw/zinc/07/25/31/739072531.db2.gz SJYNIOHASKNJEA-OCCSQVGLSA-N 1 1 332.408 0.328 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3onc(CC)c3c2)C1 ZINC001078230438 782529706 /nfs/dbraw/zinc/52/97/06/782529706.db2.gz BETIQVSRXRQFCW-HUUCEWRRSA-N 1 1 328.372 0.583 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2CCn2cncn2)nn1 ZINC001028192312 751432670 /nfs/dbraw/zinc/43/26/70/751432670.db2.gz JTZMPQFJTRZRLD-CQSZACIVSA-N 1 1 344.423 0.340 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000973466419 739336271 /nfs/dbraw/zinc/33/62/71/739336271.db2.gz PNDGSNYCGJGKSI-QCODTGAPSA-N 1 1 335.448 0.683 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001025388179 739348310 /nfs/dbraw/zinc/34/83/10/739348310.db2.gz FFOWHWOCXNGKTO-CHWSQXEVSA-N 1 1 343.431 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000973484998 739379136 /nfs/dbraw/zinc/37/91/36/739379136.db2.gz BOLXVBLVIGOVTC-STECZYCISA-N 1 1 340.427 0.638 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(CCOC)nn2)C1 ZINC001025410999 739430357 /nfs/dbraw/zinc/43/03/57/739430357.db2.gz FEHRUKZDTNCDRG-HUUCEWRRSA-N 1 1 333.436 0.778 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccn3nnnc23)C1 ZINC001025427039 739486977 /nfs/dbraw/zinc/48/69/77/739486977.db2.gz BRHAGNWLZXWXEB-KBPBESRZSA-N 1 1 326.404 0.978 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC000982009309 751456830 /nfs/dbraw/zinc/45/68/30/751456830.db2.gz NMVFYGQFHYPAGL-LSDHHAIUSA-N 1 1 335.448 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001025493393 739659711 /nfs/dbraw/zinc/65/97/11/739659711.db2.gz NNUAHWBALBCDML-ZIAGYGMSSA-N 1 1 339.403 0.521 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001025527760 739690825 /nfs/dbraw/zinc/69/08/25/739690825.db2.gz LGQDGCIXABLQTK-CABCVRRESA-N 1 1 344.459 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001025533634 739695950 /nfs/dbraw/zinc/69/59/50/739695950.db2.gz FVTURAIBIRHMCO-ZIAGYGMSSA-N 1 1 330.432 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001025595385 739756706 /nfs/dbraw/zinc/75/67/06/739756706.db2.gz NLJLONUDEKHHRC-CHWSQXEVSA-N 1 1 327.388 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001025595387 739756776 /nfs/dbraw/zinc/75/67/76/739756776.db2.gz NLJLONUDEKHHRC-QWHCGFSZSA-N 1 1 327.388 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c(OC)ncnc2OC)C1 ZINC001025636638 739804679 /nfs/dbraw/zinc/80/46/79/739804679.db2.gz AUCJZUDEGNLWTF-OLZOCXBDSA-N 1 1 332.404 0.957 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCOCC2)C1=O ZINC001025761863 739927965 /nfs/dbraw/zinc/92/79/65/739927965.db2.gz WPSZQXSZMFOMSS-NRKLIOEPSA-N 1 1 347.459 0.636 20 30 ECEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N ZINC001058660616 739955249 /nfs/dbraw/zinc/95/52/49/739955249.db2.gz DTPQZJZKWDPGLC-UONOGXRCSA-N 1 1 349.435 0.493 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)c1 ZINC001087389568 740333643 /nfs/dbraw/zinc/33/36/43/740333643.db2.gz LUFNJGWWOUMFEI-LLLHUVSDSA-N 1 1 338.411 0.331 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]21 ZINC001026096486 740374793 /nfs/dbraw/zinc/37/47/93/740374793.db2.gz FEEKFXXLOJGLOH-IJOLSIAMSA-N 1 1 335.448 0.668 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001026096564 740375033 /nfs/dbraw/zinc/37/50/33/740375033.db2.gz WNSWFUQZPBMGRW-NYXISSTPSA-N 1 1 347.459 0.635 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC000982064833 751545534 /nfs/dbraw/zinc/54/55/34/751545534.db2.gz YNWXGQVRPNHDBD-CYBMUJFWSA-N 1 1 327.450 0.131 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C(F)(F)F ZINC001112050944 740517253 /nfs/dbraw/zinc/51/72/53/740517253.db2.gz CEZBTWBFGWVHPA-MWLCHTKSSA-N 1 1 345.325 0.304 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1C(F)(F)F ZINC001112050944 740517255 /nfs/dbraw/zinc/51/72/55/740517255.db2.gz CEZBTWBFGWVHPA-MWLCHTKSSA-N 1 1 345.325 0.304 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C(F)(F)F ZINC001112053190 740579577 /nfs/dbraw/zinc/57/95/77/740579577.db2.gz XZUDXIUZNSZUOC-GHMZBOCLSA-N 1 1 345.325 0.304 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000973989563 740736749 /nfs/dbraw/zinc/73/67/49/740736749.db2.gz QOZKPLVTNHTFCB-BBWFWOEESA-N 1 1 341.411 0.376 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000973989563 740736753 /nfs/dbraw/zinc/73/67/53/740736753.db2.gz QOZKPLVTNHTFCB-BBWFWOEESA-N 1 1 341.411 0.376 20 30 ECEDMO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)CN3CCOCC3)C[C@@H]21 ZINC001026293836 740766534 /nfs/dbraw/zinc/76/65/34/740766534.db2.gz KXNXTRUJNDICTE-YESZJQIVSA-N 1 1 333.476 0.805 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000974048893 740846589 /nfs/dbraw/zinc/84/65/89/740846589.db2.gz QRCLCVUTGVTECW-FPMFFAJLSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cncs2)C1 ZINC001111782797 740882926 /nfs/dbraw/zinc/88/29/26/740882926.db2.gz YMLCSPLOGHRGEB-GUYCJALGSA-N 1 1 348.472 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1ncnn1CC ZINC001038365051 740956418 /nfs/dbraw/zinc/95/64/18/740956418.db2.gz AQPFNXNPQGJQCT-GJZGRUSLSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1ncnn1CC ZINC001038365051 740956420 /nfs/dbraw/zinc/95/64/20/740956420.db2.gz AQPFNXNPQGJQCT-GJZGRUSLSA-N 1 1 330.436 0.086 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cccnn2)C1=O ZINC001028216694 751598710 /nfs/dbraw/zinc/59/87/10/751598710.db2.gz JVESOLVZXBUCIY-DZGCQCFKSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cccnn2)C1=O ZINC001028216694 751598716 /nfs/dbraw/zinc/59/87/16/751598716.db2.gz JVESOLVZXBUCIY-DZGCQCFKSA-N 1 1 329.404 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nc(C2CC2)no1 ZINC001038367259 741148758 /nfs/dbraw/zinc/14/87/58/741148758.db2.gz LMBDKWKYNYSHNE-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nc(C2CC2)no1 ZINC001038367259 741148761 /nfs/dbraw/zinc/14/87/61/741148761.db2.gz LMBDKWKYNYSHNE-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC000974263348 741193233 /nfs/dbraw/zinc/19/32/33/741193233.db2.gz QTUVQFKZTFHWSU-CYJAXWMASA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC000974263348 741193236 /nfs/dbraw/zinc/19/32/36/741193236.db2.gz QTUVQFKZTFHWSU-CYJAXWMASA-N 1 1 347.459 0.664 20 30 ECEDMO N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001059857351 751614247 /nfs/dbraw/zinc/61/42/47/751614247.db2.gz ZUHFAMCPWKGKAB-DLTWYDFYSA-N 1 1 341.415 0.297 20 30 ECEDMO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@@H]21 ZINC001026397620 741223388 /nfs/dbraw/zinc/22/33/88/741223388.db2.gz OMKSBDNDHYCESR-VBNZEHGJSA-N 1 1 338.415 0.884 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)[C@H](C)C1 ZINC001105046065 741238355 /nfs/dbraw/zinc/23/83/55/741238355.db2.gz JXBJKOPAVOUVOV-ZIAGYGMSSA-N 1 1 330.436 0.759 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000974315010 741297884 /nfs/dbraw/zinc/29/78/84/741297884.db2.gz RBHULMUCHPQDFU-BARDWOONSA-N 1 1 332.404 0.546 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000974327169 741326984 /nfs/dbraw/zinc/32/69/84/741326984.db2.gz NTPHYWDELOGYLS-XYPHTWIQSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC000982130189 751628398 /nfs/dbraw/zinc/62/83/98/751628398.db2.gz FDKJTUUCNVETDU-HNNXBMFYSA-N 1 1 341.477 0.569 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCOC3)C2)nn1 ZINC001105197429 741459230 /nfs/dbraw/zinc/45/92/30/741459230.db2.gz SOAOISRLXARGHS-CQSZACIVSA-N 1 1 349.435 0.380 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CC)c3)C2)nn1 ZINC001105194925 741459786 /nfs/dbraw/zinc/45/97/86/741459786.db2.gz PWHNCCLBXMNTHM-UHFFFAOYSA-N 1 1 329.408 0.857 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3cncnc3)C2)nn1 ZINC001105217803 741482481 /nfs/dbraw/zinc/48/24/81/741482481.db2.gz LODISUCHRNRENS-UHFFFAOYSA-N 1 1 343.391 0.057 20 30 ECEDMO C#CCCCCC(=O)N1CC(n2cc(C[NH2+]C[C@H](C)OC)nn2)C1 ZINC001105219730 741484654 /nfs/dbraw/zinc/48/46/54/741484654.db2.gz NVMDPRRIPBMUJN-AWEZNQCLSA-N 1 1 333.436 0.980 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCNC(=O)[C@@H]3C[C@@H]3C)C2)nn1 ZINC001105253765 741567033 /nfs/dbraw/zinc/56/70/33/741567033.db2.gz CJOUWFWHBPCMFB-SWLSCSKDSA-N 1 1 346.435 0.099 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC000982135997 751649538 /nfs/dbraw/zinc/64/95/38/751649538.db2.gz XKCZBWUNUJBAHV-INIZCTEOSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(OCC)n[nH]3)C2)nn1 ZINC001105265993 741602628 /nfs/dbraw/zinc/60/26/28/741602628.db2.gz LPIDFXZQABJIJU-UHFFFAOYSA-N 1 1 345.407 0.763 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3COCCN3CC)C2)nn1 ZINC001105272292 741617355 /nfs/dbraw/zinc/61/73/55/741617355.db2.gz FLOKCKXOVLHMCQ-MRXNPFEDSA-N 1 1 348.451 0.048 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CN3CCCCC3=O)C2)nn1 ZINC001105276865 741627214 /nfs/dbraw/zinc/62/72/14/741627214.db2.gz VJTWKWRULJMBPP-UHFFFAOYSA-N 1 1 346.435 0.340 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ncnc4[nH]ccc43)C2)nn1 ZINC001105276428 741629151 /nfs/dbraw/zinc/62/91/51/741629151.db2.gz HWKTUNZTFOITPX-UHFFFAOYSA-N 1 1 338.375 0.474 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1cnc(C#N)cn1 ZINC001105302340 741694865 /nfs/dbraw/zinc/69/48/65/741694865.db2.gz JIXZZBVCRMWIBT-BPLDGKMQSA-N 1 1 346.435 0.620 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1cnc(C#N)cn1 ZINC001105302340 741694867 /nfs/dbraw/zinc/69/48/67/741694867.db2.gz JIXZZBVCRMWIBT-BPLDGKMQSA-N 1 1 346.435 0.620 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974471615 741777156 /nfs/dbraw/zinc/77/71/56/741777156.db2.gz IKIOFYOFEIJLKW-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974471615 741777159 /nfs/dbraw/zinc/77/71/59/741777159.db2.gz IKIOFYOFEIJLKW-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974472448 741778048 /nfs/dbraw/zinc/77/80/48/741778048.db2.gz MSIXTPYDAMSMLF-ZIAGYGMSSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974472448 741778053 /nfs/dbraw/zinc/77/80/53/741778053.db2.gz MSIXTPYDAMSMLF-ZIAGYGMSSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCOC[C@@H]3C)C2)nn1 ZINC001105322119 741783896 /nfs/dbraw/zinc/78/38/96/741783896.db2.gz ALKJMCWBVLQVED-BBRMVZONSA-N 1 1 333.436 1.000 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCCC(=O)N3)C2)nn1 ZINC001105327189 741812325 /nfs/dbraw/zinc/81/23/25/741812325.db2.gz VQMFNOOUSCZEIF-OAHLLOKOSA-N 1 1 346.435 0.386 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974541100 741874843 /nfs/dbraw/zinc/87/48/43/741874843.db2.gz UDASXMDFWPSTEH-CVEARBPZSA-N 1 1 341.411 0.973 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974541100 741874850 /nfs/dbraw/zinc/87/48/50/741874850.db2.gz UDASXMDFWPSTEH-CVEARBPZSA-N 1 1 341.411 0.973 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974587353 741914517 /nfs/dbraw/zinc/91/45/17/741914517.db2.gz XXPBAGPPOFBSIN-DZGCQCFKSA-N 1 1 343.431 0.613 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CCO)C2)CC1 ZINC001087413238 741926297 /nfs/dbraw/zinc/92/62/97/741926297.db2.gz AEYSFBXFNCEFQW-VJANTYMQSA-N 1 1 345.487 0.493 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCO)C2)CC1 ZINC001087413238 741926298 /nfs/dbraw/zinc/92/62/98/741926298.db2.gz AEYSFBXFNCEFQW-VJANTYMQSA-N 1 1 345.487 0.493 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)CC1(C)C ZINC000974706707 742084771 /nfs/dbraw/zinc/08/47/71/742084771.db2.gz WRHFXNKPTITOSV-DLBZAZTESA-N 1 1 343.475 0.844 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)CC1(C)C ZINC000974706707 742084776 /nfs/dbraw/zinc/08/47/76/742084776.db2.gz WRHFXNKPTITOSV-DLBZAZTESA-N 1 1 343.475 0.844 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974756954 742152905 /nfs/dbraw/zinc/15/29/05/742152905.db2.gz UHJZXLIVPNHJCU-GFCCVEGCSA-N 1 1 339.417 0.391 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974756954 742152907 /nfs/dbraw/zinc/15/29/07/742152907.db2.gz UHJZXLIVPNHJCU-GFCCVEGCSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C(C)(C)C1 ZINC000974775913 742175130 /nfs/dbraw/zinc/17/51/30/742175130.db2.gz OYAXYDVXQMSZAT-HNNXBMFYSA-N 1 1 331.416 0.568 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C(C)(C)C1 ZINC000974793243 742183149 /nfs/dbraw/zinc/18/31/49/742183149.db2.gz LWRDACHSENPOTJ-CQSZACIVSA-N 1 1 342.403 0.783 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C(C)(C)C1 ZINC000974797160 742201359 /nfs/dbraw/zinc/20/13/59/742201359.db2.gz ZRAGKIAFGMXCIR-CQSZACIVSA-N 1 1 342.403 0.783 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C(C)(C)C1 ZINC000974884412 742295427 /nfs/dbraw/zinc/29/54/27/742295427.db2.gz XTJPTYIDOIXSBH-IXDOHACOSA-N 1 1 349.475 0.326 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C(C)(C)C1 ZINC000974884412 742295429 /nfs/dbraw/zinc/29/54/29/742295429.db2.gz XTJPTYIDOIXSBH-IXDOHACOSA-N 1 1 349.475 0.326 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3c[nH]nc3C)C(C)(C)C2)C1=O ZINC000974889272 742308538 /nfs/dbraw/zinc/30/85/38/742308538.db2.gz GNUJKRZAWAEEQR-LSDHHAIUSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3c[nH]nc3C)C(C)(C)C2)C1=O ZINC000974889272 742308543 /nfs/dbraw/zinc/30/85/43/742308543.db2.gz GNUJKRZAWAEEQR-LSDHHAIUSA-N 1 1 345.447 0.945 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC2(C)C)c1 ZINC000975012395 742446388 /nfs/dbraw/zinc/44/63/88/742446388.db2.gz QGHHVECTXGBPHH-HZPDHXFCSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC2(C)C)c1 ZINC000975012395 742446390 /nfs/dbraw/zinc/44/63/90/742446390.db2.gz QGHHVECTXGBPHH-HZPDHXFCSA-N 1 1 340.427 0.782 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C(C)(C)C1 ZINC000975072133 742472969 /nfs/dbraw/zinc/47/29/69/742472969.db2.gz NBGVOQVDSDZETE-HNNXBMFYSA-N 1 1 328.416 0.952 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C(C)(C)C1 ZINC000975072133 742472972 /nfs/dbraw/zinc/47/29/72/742472972.db2.gz NBGVOQVDSDZETE-HNNXBMFYSA-N 1 1 328.416 0.952 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C(C)(C)C1 ZINC000975116657 742498550 /nfs/dbraw/zinc/49/85/50/742498550.db2.gz RGMILWKWXUFJBJ-CQSZACIVSA-N 1 1 344.419 0.294 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2ccon2)C1 ZINC000975138858 742547137 /nfs/dbraw/zinc/54/71/37/742547137.db2.gz GQYRRXNWRKCFGV-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2ccon2)C1 ZINC000975138858 742547140 /nfs/dbraw/zinc/54/71/40/742547140.db2.gz GQYRRXNWRKCFGV-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO C=CCC[NH+]1CCN(C2CCC(NC(=O)Cn3nccn3)CC2)CC1 ZINC000996777726 742845399 /nfs/dbraw/zinc/84/53/99/742845399.db2.gz YQCUNXJRYKFNFZ-UHFFFAOYSA-N 1 1 346.479 0.899 20 30 ECEDMO N#Cc1cnccc1N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001058926809 751769149 /nfs/dbraw/zinc/76/91/49/751769149.db2.gz MGMWGGHOLLHKDC-HNNXBMFYSA-N 1 1 329.404 0.110 20 30 ECEDMO CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261939980 742864536 /nfs/dbraw/zinc/86/45/36/742864536.db2.gz DHROCPKCHZVQOS-XNRPHZJLSA-N 1 1 326.510 0.892 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001028926890 742877531 /nfs/dbraw/zinc/87/75/31/742877531.db2.gz RSKKSUTWFKYYHS-VIFPVBQESA-N 1 1 342.783 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC000997093878 743226690 /nfs/dbraw/zinc/22/66/90/743226690.db2.gz RTTQQSLBFPIOOG-SWLSCSKDSA-N 1 1 326.400 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000997100754 743234591 /nfs/dbraw/zinc/23/45/91/743234591.db2.gz AMKBHVDCKPKECX-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001027234028 743246469 /nfs/dbraw/zinc/24/64/69/743246469.db2.gz OJCRHEGXLPQKLJ-DOTOQJQBSA-N 1 1 346.475 0.000 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1 ZINC000997333677 743500681 /nfs/dbraw/zinc/50/06/81/743500681.db2.gz CMWAKENQRBKWBG-CQSZACIVSA-N 1 1 325.412 0.950 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([NH2+]CC(=O)N3CCC3)CC2)CC1 ZINC000997362711 743534338 /nfs/dbraw/zinc/53/43/38/743534338.db2.gz BLBZQKGZMXKHFW-UHFFFAOYSA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@]3(COC)CCOC3)C2)nn1 ZINC001098695309 743543261 /nfs/dbraw/zinc/54/32/61/743543261.db2.gz SVEZTZDCVIJPIE-DOTOQJQBSA-N 1 1 349.435 0.380 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)nn1 ZINC001098641650 751844082 /nfs/dbraw/zinc/84/40/82/751844082.db2.gz WALZTFGHCFFVJY-HNNXBMFYSA-N 1 1 329.408 0.683 20 30 ECEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)C[N@H+](CCS(C)(=O)=O)C2 ZINC000982278580 751849650 /nfs/dbraw/zinc/84/96/50/751849650.db2.gz JNBBGMYTFHZMRS-CALCHBBNSA-N 1 1 338.473 0.615 20 30 ECEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)C[N@@H+](CCS(C)(=O)=O)C2 ZINC000982278580 751849659 /nfs/dbraw/zinc/84/96/59/751849659.db2.gz JNBBGMYTFHZMRS-CALCHBBNSA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000997778263 743805404 /nfs/dbraw/zinc/80/54/04/743805404.db2.gz DZCPRXKZYUGKBO-DZGCQCFKSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccnc2C)C1 ZINC000997793296 743814144 /nfs/dbraw/zinc/81/41/44/743814144.db2.gz DUVOGKJAHCXELN-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccnc2C)C1 ZINC000997793296 743814147 /nfs/dbraw/zinc/81/41/47/743814147.db2.gz DUVOGKJAHCXELN-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C[N@@H+]([C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@H]1CCCNC1=O ZINC001027354652 743916729 /nfs/dbraw/zinc/91/67/29/743916729.db2.gz IFGDMAJCFZAJSK-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000976409465 743919866 /nfs/dbraw/zinc/91/98/66/743919866.db2.gz SWZLQXHODQKRIZ-ZYIUAKIQSA-N 1 1 341.415 0.557 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccn4nnnc34)C[C@@]2(C)C1 ZINC000982288560 751875242 /nfs/dbraw/zinc/87/52/42/751875242.db2.gz DRHNYLAIFXAENI-HDICACEKSA-N 1 1 338.415 0.932 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001027371890 744019624 /nfs/dbraw/zinc/01/96/24/744019624.db2.gz LFFKAPJIMUZHFS-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC000998186318 744037533 /nfs/dbraw/zinc/03/75/33/744037533.db2.gz FXARYQPANPWUCA-MSOLQXFVSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC(CNCc3cnon3)CC2)CC1 ZINC000998288969 744100894 /nfs/dbraw/zinc/10/08/94/744100894.db2.gz YWWDRCNDTKYVNW-UHFFFAOYSA-N 1 1 345.447 0.743 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000976645449 744175829 /nfs/dbraw/zinc/17/58/29/744175829.db2.gz HBETXQLFQFHFMS-OWYFMNJBSA-N 1 1 347.459 0.635 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ncc[nH]3)C2)C1=O ZINC001027404901 744202073 /nfs/dbraw/zinc/20/20/73/744202073.db2.gz KLWAFUUZSHVWNR-KBPBESRZSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C(=O)N3CCC(C)CC3)C2)nn1 ZINC001105339181 744317754 /nfs/dbraw/zinc/31/77/54/744317754.db2.gz KOLUAYZFCRZYLP-UHFFFAOYSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001006867581 751917060 /nfs/dbraw/zinc/91/70/60/751917060.db2.gz XSICUUZYQDIBIO-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001006867581 751917069 /nfs/dbraw/zinc/91/70/69/751917069.db2.gz XSICUUZYQDIBIO-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)[nH]1 ZINC000998962173 744432861 /nfs/dbraw/zinc/43/28/61/744432861.db2.gz QUOGNJIYAMQCHN-GFCCVEGCSA-N 1 1 340.391 0.602 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C ZINC000998963433 744433601 /nfs/dbraw/zinc/43/36/01/744433601.db2.gz XRENORXLZKTPDW-JQWIXIFHSA-N 1 1 328.380 0.365 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)c[nH]1 ZINC000998969115 744439206 /nfs/dbraw/zinc/43/92/06/744439206.db2.gz JAEVPRJEDJDAEB-LBPRGKRZSA-N 1 1 340.391 0.602 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N(C)C ZINC001028249728 751921401 /nfs/dbraw/zinc/92/14/01/751921401.db2.gz DSMBTAKESUYDJO-CQSZACIVSA-N 1 1 346.431 0.929 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC001028249728 751921406 /nfs/dbraw/zinc/92/14/06/751921406.db2.gz DSMBTAKESUYDJO-CQSZACIVSA-N 1 1 346.431 0.929 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@H]32)cc1 ZINC000976937596 744493019 /nfs/dbraw/zinc/49/30/19/744493019.db2.gz YTIHOLZKYHSIIL-XWTMOSNGSA-N 1 1 337.423 0.949 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001027477723 744705444 /nfs/dbraw/zinc/70/54/44/744705444.db2.gz KXBKWDXROOVJBA-LLVKDONJSA-N 1 1 327.406 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nocc1C ZINC000977187421 744753913 /nfs/dbraw/zinc/75/39/13/744753913.db2.gz LZDKVRXPPSDIGY-KNCOVGOOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nocc1C ZINC000977187421 744753917 /nfs/dbraw/zinc/75/39/17/744753917.db2.gz LZDKVRXPPSDIGY-KNCOVGOOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cnccn1 ZINC000977327197 744870096 /nfs/dbraw/zinc/87/00/96/744870096.db2.gz PKCDOZRPMGASMJ-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cnccn1 ZINC000977327197 744870099 /nfs/dbraw/zinc/87/00/99/744870099.db2.gz PKCDOZRPMGASMJ-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C(C)(C)C1 ZINC000977367198 744895828 /nfs/dbraw/zinc/89/58/28/744895828.db2.gz HUWZTFOKZUPZQM-CYBMUJFWSA-N 1 1 332.404 0.589 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001027514158 744914881 /nfs/dbraw/zinc/91/48/81/744914881.db2.gz DDVRTPRTSCNWQF-ZDUSSCGKSA-N 1 1 344.423 0.806 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977385363 744919373 /nfs/dbraw/zinc/91/93/73/744919373.db2.gz GHRGBSAWWRGQIG-ZBFHGGJFSA-N 1 1 345.447 0.778 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)c1 ZINC001041985454 782549344 /nfs/dbraw/zinc/54/93/44/782549344.db2.gz MYLHYLBFEXKTEO-CJNGLKHVSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)c1 ZINC001041985454 782549355 /nfs/dbraw/zinc/54/93/55/782549355.db2.gz MYLHYLBFEXKTEO-CJNGLKHVSA-N 1 1 344.390 0.996 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000999899493 745033709 /nfs/dbraw/zinc/03/37/09/745033709.db2.gz LLBYEEWLTOXEHC-LLVKDONJSA-N 1 1 331.376 0.371 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001114940111 745057839 /nfs/dbraw/zinc/05/78/39/745057839.db2.gz VXTVVMPZMRNLSV-BCDMZGRMSA-N 1 1 337.423 0.586 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001114940111 745057847 /nfs/dbraw/zinc/05/78/47/745057847.db2.gz VXTVVMPZMRNLSV-BCDMZGRMSA-N 1 1 337.423 0.586 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(=O)[nH]n3)nn2)C1 ZINC000999952154 745089188 /nfs/dbraw/zinc/08/91/88/745089188.db2.gz STEVJMYBDFMGOV-CYBMUJFWSA-N 1 1 343.391 0.527 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)nc3C)nn2)C1 ZINC000999960147 745101151 /nfs/dbraw/zinc/10/11/51/745101151.db2.gz CCFDKSAZWMVVBR-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 ZINC000999964790 745109417 /nfs/dbraw/zinc/10/94/17/745109417.db2.gz FNQCGJWMCHZDAZ-OAHLLOKOSA-N 1 1 329.408 0.765 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 ZINC000999969189 745115247 /nfs/dbraw/zinc/11/52/47/745115247.db2.gz WANNVIMHZKWZDQ-HNNXBMFYSA-N 1 1 327.392 0.212 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC000999973295 745122107 /nfs/dbraw/zinc/12/21/07/745122107.db2.gz YQNNYCJBCZZBMM-CQSZACIVSA-N 1 1 327.392 0.212 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3C#N)C2)n1 ZINC001027532238 745123025 /nfs/dbraw/zinc/12/30/25/745123025.db2.gz XEJTUBUTYSFGSZ-HNNXBMFYSA-N 1 1 339.403 0.818 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3C#N)C2)n1 ZINC001027532238 745123031 /nfs/dbraw/zinc/12/30/31/745123031.db2.gz XEJTUBUTYSFGSZ-HNNXBMFYSA-N 1 1 339.403 0.818 20 30 ECEDMO COCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 ZINC000999974838 745124007 /nfs/dbraw/zinc/12/40/07/745124007.db2.gz NDPQWQWONOCOMT-AWEZNQCLSA-N 1 1 343.391 0.301 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nccn3CC)nn2)C1 ZINC000999980052 745130445 /nfs/dbraw/zinc/13/04/45/745130445.db2.gz CAUNSDUKMQQOQM-OAHLLOKOSA-N 1 1 341.419 0.695 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]cc3C)nn2)C1 ZINC000999980507 745131132 /nfs/dbraw/zinc/13/11/32/745131132.db2.gz FBERXAMUJARFMK-CQSZACIVSA-N 1 1 327.392 0.510 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CCC(O)CC3)nn2)C1 ZINC000999983797 745135991 /nfs/dbraw/zinc/13/59/91/745135991.db2.gz KLQUIRDDCPQHQD-SIWZUTFBSA-N 1 1 333.436 0.878 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nccn3CC)nn2)C1 ZINC000999985869 745139168 /nfs/dbraw/zinc/13/91/68/745139168.db2.gz QHFILVAZXYPWKN-OAHLLOKOSA-N 1 1 341.419 0.695 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnn3CCC)nn2)C1 ZINC000999986247 745140374 /nfs/dbraw/zinc/14/03/74/745140374.db2.gz GMYLORWGSQCQPT-HNNXBMFYSA-N 1 1 341.419 0.695 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)C3CCC(O)CC3)nn2)C1 ZINC000999987235 745141858 /nfs/dbraw/zinc/14/18/58/745141858.db2.gz WWZPBUKPTWEYSI-WIHSUSGWSA-N 1 1 345.447 0.716 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC(=O)N(CC)C3)nn2)C1 ZINC000999987420 745142675 /nfs/dbraw/zinc/14/26/75/745142675.db2.gz NZYHAFFDFXSRNX-DZGCQCFKSA-N 1 1 346.435 0.196 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)CC1(C)C ZINC000977524328 745142880 /nfs/dbraw/zinc/14/28/80/745142880.db2.gz DIOAHFSUMWSEJW-DLBZAZTESA-N 1 1 339.439 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CC1(C)C ZINC000977524328 745142883 /nfs/dbraw/zinc/14/28/83/745142883.db2.gz DIOAHFSUMWSEJW-DLBZAZTESA-N 1 1 339.439 0.926 20 30 ECEDMO CC#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999988344 745144164 /nfs/dbraw/zinc/14/41/64/745144164.db2.gz UDEZLMLNQGAVHT-DJIMGWMZSA-N 1 1 344.463 0.505 20 30 ECEDMO CC#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999988344 745144170 /nfs/dbraw/zinc/14/41/70/745144170.db2.gz UDEZLMLNQGAVHT-DJIMGWMZSA-N 1 1 344.463 0.505 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(OC)ns3)nn2)C1 ZINC000999988883 745144778 /nfs/dbraw/zinc/14/47/78/745144778.db2.gz YNXBVRSYJPAHSS-GFCCVEGCSA-N 1 1 346.416 0.553 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)ncn3C)nn2)C1 ZINC000999989050 745145011 /nfs/dbraw/zinc/14/50/11/745145011.db2.gz BXBJUHYJOARLLC-AWEZNQCLSA-N 1 1 327.392 0.130 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]c(=O)[nH]c3C)nn2)C1 ZINC000999990230 745146124 /nfs/dbraw/zinc/14/61/24/745146124.db2.gz HGEIRNCKEBXOJH-ZDUSSCGKSA-N 1 1 345.407 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3CC)nn2)C1 ZINC000999990217 745146160 /nfs/dbraw/zinc/14/61/60/745146160.db2.gz HDHGZVFWYPYGOR-BMFZPTHFSA-N 1 1 331.420 0.589 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnnn3CC)nn2)C1 ZINC000999990450 745147406 /nfs/dbraw/zinc/14/74/06/745147406.db2.gz KIPMJYUJUOWXOE-AWEZNQCLSA-N 1 1 342.407 0.090 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C)nn3)nn2)C1 ZINC000999992946 745151356 /nfs/dbraw/zinc/15/13/56/745151356.db2.gz SPDXKRJXPMXSPD-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]c(=O)[nH]c3C)nn2)C1 ZINC000999994488 745152696 /nfs/dbraw/zinc/15/26/96/745152696.db2.gz BHCYBFRHNHXDLL-GFCCVEGCSA-N 1 1 331.380 0.378 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cn[nH]c(=O)c3)nn2)C1 ZINC000999994455 745152760 /nfs/dbraw/zinc/15/27/60/745152760.db2.gz AYKNDWJZFARNTJ-CQSZACIVSA-N 1 1 343.391 0.527 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(OC)n(C)n3)nn2)C1 ZINC001000001564 745164262 /nfs/dbraw/zinc/16/42/62/745164262.db2.gz CYAMCJZNSWTONV-CYBMUJFWSA-N 1 1 345.407 0.383 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]nc3CCC)nn2)C1 ZINC001000002152 745165874 /nfs/dbraw/zinc/16/58/74/745165874.db2.gz HHGYCZTUGVPSQX-AWEZNQCLSA-N 1 1 341.419 0.764 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001027536466 745172278 /nfs/dbraw/zinc/17/22/78/745172278.db2.gz RLIOWDZPDZEPBP-NRKLIOEPSA-N 1 1 347.459 0.589 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3csc(C)n3)nn2)C1 ZINC001000007273 745175151 /nfs/dbraw/zinc/17/51/51/745175151.db2.gz BYXODBKMBHZFQR-ZDUSSCGKSA-N 1 1 330.417 0.853 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCN(C)C3=O)nn2)C1 ZINC001000007216 745175334 /nfs/dbraw/zinc/17/53/34/745175334.db2.gz BGRDPDHEYBKVIE-HUUCEWRRSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(OC)ccn3)nn2)C1 ZINC001000013719 745182999 /nfs/dbraw/zinc/18/29/99/745182999.db2.gz JBLAYTPJBUAXHR-CQSZACIVSA-N 1 1 340.387 0.492 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@@H]3CC[N@H+](CCO)C3)nn2)cc1 ZINC001000015676 745185037 /nfs/dbraw/zinc/18/50/37/745185037.db2.gz OWPKJIJLIFJDBH-QGZVFWFLSA-N 1 1 339.399 0.429 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)C1 ZINC001000032091 745206021 /nfs/dbraw/zinc/20/60/21/745206021.db2.gz POBHGYPREWMTSK-VQHPVUNQSA-N 1 1 343.431 0.732 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(CC)cn3)nn2)C1 ZINC001000034474 745209224 /nfs/dbraw/zinc/20/92/24/745209224.db2.gz HVTJEMZIXRLFKD-AWEZNQCLSA-N 1 1 329.408 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccc(OC)n3)nn2)C1 ZINC001000035771 745211859 /nfs/dbraw/zinc/21/18/59/745211859.db2.gz MDIODNJIJFSVND-CQSZACIVSA-N 1 1 340.387 0.492 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnon3)nn2)C1 ZINC001000038586 745216932 /nfs/dbraw/zinc/21/69/32/745216932.db2.gz XENXHHKSAJARRU-CYBMUJFWSA-N 1 1 331.380 0.804 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nn(CC)nc3C)nn2)C1 ZINC001000040985 745219500 /nfs/dbraw/zinc/21/95/00/745219500.db2.gz BGYAAIPKCGRVFK-AWEZNQCLSA-N 1 1 344.423 0.561 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nn(CC)nc3C)nn2)C1 ZINC001000040987 745219638 /nfs/dbraw/zinc/21/96/38/745219638.db2.gz BGYAAIPKCGRVFK-CQSZACIVSA-N 1 1 344.423 0.561 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]cnc3C)nn2)C1 ZINC001000044891 745224904 /nfs/dbraw/zinc/22/49/04/745224904.db2.gz ZKOQYNRWPZJDHF-CQSZACIVSA-N 1 1 327.392 0.510 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c4ncccc34)nn2)C1 ZINC001000046476 745227600 /nfs/dbraw/zinc/22/76/00/745227600.db2.gz ULFBHXNTFWLERP-CQSZACIVSA-N 1 1 349.398 0.964 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnn(C)n3)C2)cc1 ZINC001020696279 751984833 /nfs/dbraw/zinc/98/48/33/751984833.db2.gz BIRQJNHYIXMKFY-SHTZXODSSA-N 1 1 339.399 0.878 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000977586002 745246105 /nfs/dbraw/zinc/24/61/05/745246105.db2.gz CPRXSEHIEFYSMV-CYBMUJFWSA-N 1 1 334.420 0.892 20 30 ECEDMO Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)cc1=O ZINC001075774886 745251345 /nfs/dbraw/zinc/25/13/45/745251345.db2.gz VLLOQEBVQTTZAD-DLBZAZTESA-N 1 1 325.412 0.831 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087496501 745252224 /nfs/dbraw/zinc/25/22/24/745252224.db2.gz BUAWZRCDCWVCLF-JKSUJKDBSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)n(C)n3)C2)nn1 ZINC001105385003 745260530 /nfs/dbraw/zinc/26/05/30/745260530.db2.gz RTQWIZXVAUASHO-UHFFFAOYSA-N 1 1 329.408 0.547 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CC4(O)CCC4)[C@@H]3C2)C1=O ZINC001075776551 745272092 /nfs/dbraw/zinc/27/20/92/745272092.db2.gz UKXZQGYHTGIBEO-ARFHVFGLSA-N 1 1 347.459 0.611 20 30 ECEDMO N#CCN1CCC(C2(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC001000158078 745299258 /nfs/dbraw/zinc/29/92/58/745299258.db2.gz PJOIXWYHIZLWJN-HZPDHXFCSA-N 1 1 332.448 0.734 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001075785196 745398180 /nfs/dbraw/zinc/39/81/80/745398180.db2.gz VGISREXLFHWWFM-GZBFAFLISA-N 1 1 329.404 0.481 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CCCO3)CC2)C1=O ZINC001000413073 745482584 /nfs/dbraw/zinc/48/25/84/745482584.db2.gz QNMXZHAEBMWIOQ-CVEARBPZSA-N 1 1 333.432 0.701 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]2O)[nH]1 ZINC001083413408 745484461 /nfs/dbraw/zinc/48/44/61/745484461.db2.gz MFPXPTQBDZJEAL-BMFZPTHFSA-N 1 1 332.404 0.620 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn[nH]c3)[C@H]2CC)C1=O ZINC001087509122 745527269 /nfs/dbraw/zinc/52/72/69/745527269.db2.gz RDFSSIIMLLBZAJ-RRFJBIMHSA-N 1 1 331.420 0.779 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C)no4)[C@@H]3C2)C1=O ZINC000977824663 745542037 /nfs/dbraw/zinc/54/20/37/745542037.db2.gz NKVRZWMQWYXPRR-APIJFGDWSA-N 1 1 344.415 0.678 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@H]3CCOC3)CC2)C1=O ZINC001000499407 745549172 /nfs/dbraw/zinc/54/91/72/745549172.db2.gz FXTQOSPZEMPWFR-JKSUJKDBSA-N 1 1 333.432 0.558 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3n[nH]cc3F)C2)C1=O ZINC001027566521 745561278 /nfs/dbraw/zinc/56/12/78/745561278.db2.gz KEMOKMVOPCOVIE-TZMCWYRMSA-N 1 1 349.410 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC000977855490 745570223 /nfs/dbraw/zinc/57/02/23/745570223.db2.gz QOBOUOOXMAALJU-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC000977855490 745570226 /nfs/dbraw/zinc/57/02/26/745570226.db2.gz QOBOUOOXMAALJU-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cccn4C)[C@@H]3C2)C1=O ZINC000977863117 745595315 /nfs/dbraw/zinc/59/53/15/745595315.db2.gz LRCPAVRERMWPCK-PNBKFKSVSA-N 1 1 342.443 0.720 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@H+](CC(=O)NC3CC3)CC2)[nH]1 ZINC001000596347 745625095 /nfs/dbraw/zinc/62/50/95/745625095.db2.gz QUJBEKSSNFCTIF-UHFFFAOYSA-N 1 1 327.388 0.527 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@@H+](CC(=O)NC3CC3)CC2)[nH]1 ZINC001000596347 745625099 /nfs/dbraw/zinc/62/50/99/745625099.db2.gz QUJBEKSSNFCTIF-UHFFFAOYSA-N 1 1 327.388 0.527 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC001000599947 745626210 /nfs/dbraw/zinc/62/62/10/745626210.db2.gz JXCPYSSVYBVOTR-MRXNPFEDSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1cnoc1 ZINC000977920819 745649920 /nfs/dbraw/zinc/64/99/20/745649920.db2.gz QMOJBIXEAOUKPL-CVEARBPZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1cnoc1 ZINC000977920819 745649922 /nfs/dbraw/zinc/64/99/22/745649922.db2.gz QMOJBIXEAOUKPL-CVEARBPZSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccn(C)n1 ZINC000977921382 745650503 /nfs/dbraw/zinc/65/05/03/745650503.db2.gz SIMZVNJWYLVXFX-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccn(C)n1 ZINC000977921382 745650508 /nfs/dbraw/zinc/65/05/08/745650508.db2.gz SIMZVNJWYLVXFX-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1ccoc1 ZINC000977930177 745685908 /nfs/dbraw/zinc/68/59/08/745685908.db2.gz QPBZSCRJXMMCSA-SJORKVTESA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1ccoc1 ZINC000977930177 745685914 /nfs/dbraw/zinc/68/59/14/745685914.db2.gz QPBZSCRJXMMCSA-SJORKVTESA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(C)n1 ZINC000977931057 745687143 /nfs/dbraw/zinc/68/71/43/745687143.db2.gz SVHZFRURPOWSOD-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(C)n1 ZINC000977931057 745687146 /nfs/dbraw/zinc/68/71/46/745687146.db2.gz SVHZFRURPOWSOD-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCN(CC)C2=O)cn1 ZINC001028270683 752025197 /nfs/dbraw/zinc/02/51/97/752025197.db2.gz QQHHNIUDBNSLLN-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCN(CC)C2=O)cn1 ZINC001028270683 752025203 /nfs/dbraw/zinc/02/52/03/752025203.db2.gz QQHHNIUDBNSLLN-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977975406 745734314 /nfs/dbraw/zinc/73/43/14/745734314.db2.gz JHCNVYASMFPKRU-ZRJCITRHSA-N 1 1 329.404 0.271 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1cncc(C#N)n1 ZINC001126524686 745742767 /nfs/dbraw/zinc/74/27/67/745742767.db2.gz XOYKICOFSRDWML-ZFWWWQNUSA-N 1 1 346.435 0.115 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1ccnc(C#N)n1 ZINC001126524738 745743757 /nfs/dbraw/zinc/74/37/57/745743757.db2.gz YJOOJGHEFACQHO-KGLIPLIRSA-N 1 1 346.435 0.115 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000984097910 745818695 /nfs/dbraw/zinc/81/86/95/745818695.db2.gz XWVZSPWSPZCMNQ-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)C(F)(F)F ZINC001101327754 745819512 /nfs/dbraw/zinc/81/95/12/745819512.db2.gz APJHMRYPMHVCON-WDMOLILDSA-N 1 1 346.353 0.605 20 30 ECEDMO C[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)C(F)(F)F ZINC001101327754 745819515 /nfs/dbraw/zinc/81/95/15/745819515.db2.gz APJHMRYPMHVCON-WDMOLILDSA-N 1 1 346.353 0.605 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)CC1 ZINC001001002979 745968285 /nfs/dbraw/zinc/96/82/85/745968285.db2.gz XUZDUBHQNPADFD-OAHLLOKOSA-N 1 1 328.416 0.919 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2scnc2C)C1 ZINC001001024397 745988635 /nfs/dbraw/zinc/98/86/35/745988635.db2.gz XERPTIBHPARGJC-AWEZNQCLSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2scnc2C)C1 ZINC001001024397 745988638 /nfs/dbraw/zinc/98/86/38/745988638.db2.gz XERPTIBHPARGJC-AWEZNQCLSA-N 1 1 346.456 0.737 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)C1=O ZINC001027595251 746030207 /nfs/dbraw/zinc/03/02/07/746030207.db2.gz WZEWPWZYPXKRKL-JKSUJKDBSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1=O ZINC001001068060 746041248 /nfs/dbraw/zinc/04/12/48/746041248.db2.gz YDYBVJQURJGYAL-VVLHAWIVSA-N 1 1 345.443 0.414 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](O)Cn3cccn3)C2)c1 ZINC001007036061 752056991 /nfs/dbraw/zinc/05/69/91/752056991.db2.gz LKVIHPHEGGMNJW-HUUCEWRRSA-N 1 1 342.403 0.338 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000984229193 746089863 /nfs/dbraw/zinc/08/98/63/746089863.db2.gz XEFQLZPHGYLAPH-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)[C@@H]1CC ZINC001087607346 746115645 /nfs/dbraw/zinc/11/56/45/746115645.db2.gz YOEVIAZCPZVGGY-BBWFWOEESA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCOC3CCC3)C[C@H]21 ZINC000978277125 746138587 /nfs/dbraw/zinc/13/85/87/746138587.db2.gz AMFULEQMAJLJBU-OKYOBFRVSA-N 1 1 345.487 0.947 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)nn1 ZINC001027607271 746167767 /nfs/dbraw/zinc/16/77/67/746167767.db2.gz UVJMQCNMNAIKMD-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001001241829 746200696 /nfs/dbraw/zinc/20/06/96/746200696.db2.gz BMTAGWACEYDBFA-KBMXLJTQSA-N 1 1 335.448 0.980 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001001241829 746200700 /nfs/dbraw/zinc/20/07/00/746200700.db2.gz BMTAGWACEYDBFA-KBMXLJTQSA-N 1 1 335.448 0.980 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3cnon3)CC2)C1=O ZINC001001279266 746239133 /nfs/dbraw/zinc/23/91/33/746239133.db2.gz QLRPNFADVSGDNA-AWEZNQCLSA-N 1 1 331.376 0.218 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@H]1CC ZINC001087734184 746260219 /nfs/dbraw/zinc/26/02/19/746260219.db2.gz QTSXUNPSVVOZDQ-QLFBSQMISA-N 1 1 330.436 0.618 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1=CC[N@H+](CC(=O)NC)CC1 ZINC001001359461 746306422 /nfs/dbraw/zinc/30/64/22/746306422.db2.gz JFJBRQXNBRXIOO-UHFFFAOYSA-N 1 1 344.415 0.754 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1=CC[N@@H+](CC(=O)NC)CC1 ZINC001001359461 746306427 /nfs/dbraw/zinc/30/64/27/746306427.db2.gz JFJBRQXNBRXIOO-UHFFFAOYSA-N 1 1 344.415 0.754 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c(n3)OCCO4)[C@@H]2C1 ZINC000978425438 746325990 /nfs/dbraw/zinc/32/59/90/746325990.db2.gz MKZJVUTZPKXEBS-ZSOGYDGISA-N 1 1 327.384 0.784 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)[C@H]1CC ZINC001087788395 746333941 /nfs/dbraw/zinc/33/39/41/746333941.db2.gz PTYQKLAJTUOYOT-OFQRWUPVSA-N 1 1 331.420 0.846 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1CC ZINC001087795667 746360380 /nfs/dbraw/zinc/36/03/80/746360380.db2.gz QKFBLLCKSZPIPP-GXTWGEPZSA-N 1 1 344.419 0.967 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN1C(=O)CNC1=O ZINC001029421542 746361761 /nfs/dbraw/zinc/36/17/61/746361761.db2.gz DGUXVEPCRCPHPR-OKILXGFUSA-N 1 1 348.447 0.816 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3coc4c3C(=O)NCCC4)[C@@H]2C1 ZINC000978499010 746374421 /nfs/dbraw/zinc/37/44/21/746374421.db2.gz MUMGHROBPYOAFE-XYYAHUGASA-N 1 1 327.384 0.496 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC000978523696 746384689 /nfs/dbraw/zinc/38/46/89/746384689.db2.gz RANLACUAHLAHET-XQLPTFJDSA-N 1 1 329.404 0.236 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(Cn4ccnn4)o3)[C@@H]2C1 ZINC000978509449 746387965 /nfs/dbraw/zinc/38/79/65/746387965.db2.gz NLOGVRWFOXARDC-PHZGNYQRSA-N 1 1 339.399 0.850 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1CC ZINC001087822040 746412716 /nfs/dbraw/zinc/41/27/16/746412716.db2.gz SFYVRLAWHCGHPV-NWDGAFQWSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1CC ZINC001087822040 746412721 /nfs/dbraw/zinc/41/27/21/746412721.db2.gz SFYVRLAWHCGHPV-NWDGAFQWSA-N 1 1 342.827 0.602 20 30 ECEDMO CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC001001472298 746413564 /nfs/dbraw/zinc/41/35/64/746413564.db2.gz BBHSYFSFCJQOGF-HNNXBMFYSA-N 1 1 326.462 0.805 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001481758 746420904 /nfs/dbraw/zinc/42/09/04/746420904.db2.gz DTUQQKRLZBVSHX-SMDDNHRTSA-N 1 1 329.404 0.272 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001484094 746422719 /nfs/dbraw/zinc/42/27/19/746422719.db2.gz JFFJBCQRXFDNAP-BETUJISGSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC000978585559 746473688 /nfs/dbraw/zinc/47/36/88/746473688.db2.gz QVYQLWYPORLIIU-KKOKHZNYSA-N 1 1 342.237 0.325 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000984468612 746487686 /nfs/dbraw/zinc/48/76/86/746487686.db2.gz KXOGAIIRQCSSDS-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000984468612 746487689 /nfs/dbraw/zinc/48/76/89/746487689.db2.gz KXOGAIIRQCSSDS-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059381990 746505506 /nfs/dbraw/zinc/50/55/06/746505506.db2.gz FFQVYMQERFCCGX-RBSFLKMASA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059381990 746505510 /nfs/dbraw/zinc/50/55/10/746505510.db2.gz FFQVYMQERFCCGX-RBSFLKMASA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059381996 746509579 /nfs/dbraw/zinc/50/95/79/746509579.db2.gz FRMFYNFGFFAUSY-UMVBOHGHSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059381996 746509581 /nfs/dbraw/zinc/50/95/81/746509581.db2.gz FRMFYNFGFFAUSY-UMVBOHGHSA-N 1 1 344.419 0.517 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)c[nH]1 ZINC001083418557 746520648 /nfs/dbraw/zinc/52/06/48/746520648.db2.gz OVAGSZJJSSCGEP-WQVCFCJDSA-N 1 1 332.404 0.478 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC000978646618 746538897 /nfs/dbraw/zinc/53/88/97/746538897.db2.gz ZMFRCGWPUXAYNK-ZQDZILKHSA-N 1 1 329.448 0.790 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCc4ccnn4C)C[C@H]32)c1 ZINC000978679433 746576413 /nfs/dbraw/zinc/57/64/13/746576413.db2.gz BBUAPPNOQBVXEN-LDLYASANSA-N 1 1 349.438 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cnnn3C)C2)nc1 ZINC001027656036 746594059 /nfs/dbraw/zinc/59/40/59/746594059.db2.gz IXGAZLBHOVUKTO-HNNXBMFYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cnnn3C)C2)nc1 ZINC001027656036 746594062 /nfs/dbraw/zinc/59/40/62/746594062.db2.gz IXGAZLBHOVUKTO-HNNXBMFYSA-N 1 1 338.415 0.928 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000978699556 746595317 /nfs/dbraw/zinc/59/53/17/746595317.db2.gz YZMABMYSBMXLEO-FPMFFAJLSA-N 1 1 329.404 0.463 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)cn1 ZINC001027656627 746599633 /nfs/dbraw/zinc/59/96/33/746599633.db2.gz VJBLZJUTSKZKFO-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059399794 746653110 /nfs/dbraw/zinc/65/31/10/746653110.db2.gz XCGTUDNFJSNMHP-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059399794 746653114 /nfs/dbraw/zinc/65/31/14/746653114.db2.gz XCGTUDNFJSNMHP-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)C1=O ZINC001087940187 746693971 /nfs/dbraw/zinc/69/39/71/746693971.db2.gz ZSBANGWTEQOATH-INWMFGNUSA-N 1 1 341.415 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000984593652 746697414 /nfs/dbraw/zinc/69/74/14/746697414.db2.gz FYXINTGPSMFUJJ-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000984593652 746697417 /nfs/dbraw/zinc/69/74/17/746697417.db2.gz FYXINTGPSMFUJJ-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)o3)[C@@H]2C1 ZINC000978792741 746717722 /nfs/dbraw/zinc/71/77/22/746717722.db2.gz OBNOMBAGGPJISI-XYYAHUGASA-N 1 1 336.413 0.614 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)cc1 ZINC000978808585 746730009 /nfs/dbraw/zinc/73/00/09/746730009.db2.gz SXRFOMRUFDQPQA-OSMBCOQSSA-N 1 1 341.411 0.480 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](C[C@H](O)Cn3cccn3)C2)c[nH]1 ZINC001007141860 752118418 /nfs/dbraw/zinc/11/84/18/752118418.db2.gz WOKASCNIXKTIHE-HOCLYGCPSA-N 1 1 342.403 0.338 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027673802 746740754 /nfs/dbraw/zinc/74/07/54/746740754.db2.gz MQVJMEDIYPTGSY-NSHDSACASA-N 1 1 328.800 0.214 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027673802 746740757 /nfs/dbraw/zinc/74/07/57/746740757.db2.gz MQVJMEDIYPTGSY-NSHDSACASA-N 1 1 328.800 0.214 20 30 ECEDMO Cn1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1=O ZINC001007142618 752119731 /nfs/dbraw/zinc/11/97/31/752119731.db2.gz IVZJUTICRBXMOL-HNNXBMFYSA-N 1 1 339.399 0.979 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000978829278 746758275 /nfs/dbraw/zinc/75/82/75/746758275.db2.gz DIEARWASIMLGQZ-SGMGOOAPSA-N 1 1 329.404 0.463 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]2C1 ZINC001087967993 746760609 /nfs/dbraw/zinc/76/06/09/746760609.db2.gz VPJYCUBPEJAEES-CABCVRRESA-N 1 1 345.443 0.575 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4n[nH]c(=O)n4c3)[C@@H]2C1 ZINC000978861740 746810400 /nfs/dbraw/zinc/81/04/00/746810400.db2.gz YBLWLXLXHXJAJD-ZSOGYDGISA-N 1 1 327.388 0.919 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4nnc[nH]4)[C@@H]3C2)s1 ZINC000978878784 746845486 /nfs/dbraw/zinc/84/54/86/746845486.db2.gz MQYOWNJBCIWYIA-XYYAHUGASA-N 1 1 328.401 0.846 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)s1 ZINC000978878784 746845490 /nfs/dbraw/zinc/84/54/90/746845490.db2.gz MQYOWNJBCIWYIA-XYYAHUGASA-N 1 1 328.401 0.846 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)s1 ZINC000978878784 746845494 /nfs/dbraw/zinc/84/54/94/746845494.db2.gz MQYOWNJBCIWYIA-XYYAHUGASA-N 1 1 328.401 0.846 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)s1 ZINC000978878784 746845498 /nfs/dbraw/zinc/84/54/98/746845498.db2.gz MQYOWNJBCIWYIA-XYYAHUGASA-N 1 1 328.401 0.846 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)s1 ZINC000978878784 746845502 /nfs/dbraw/zinc/84/55/02/746845502.db2.gz MQYOWNJBCIWYIA-XYYAHUGASA-N 1 1 328.401 0.846 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978897875 746852060 /nfs/dbraw/zinc/85/20/60/746852060.db2.gz HRJGETOAPTWDGX-YHUYYLMFSA-N 1 1 345.447 0.798 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]cc2C)C1 ZINC001001973378 746855498 /nfs/dbraw/zinc/85/54/98/746855498.db2.gz SKZZEGXCAUZKLP-INIZCTEOSA-N 1 1 328.416 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]cc2C)C1 ZINC001001973378 746855505 /nfs/dbraw/zinc/85/55/05/746855505.db2.gz SKZZEGXCAUZKLP-INIZCTEOSA-N 1 1 328.416 0.609 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](N(C)[C@H](C)C(N)=O)C2)CC1 ZINC001027694426 746862958 /nfs/dbraw/zinc/86/29/58/746862958.db2.gz YEIRXVCXDYUVKN-GDBMZVCRSA-N 1 1 334.464 0.128 20 30 ECEDMO CCc1nc(C#N)cc(N(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001105404240 746867909 /nfs/dbraw/zinc/86/79/09/746867909.db2.gz RAHIZRWMLPUHBI-CYBMUJFWSA-N 1 1 330.436 0.757 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccn4c(=O)[nH]nc34)[C@@H]2C1 ZINC000978942856 746925147 /nfs/dbraw/zinc/92/51/47/746925147.db2.gz SLCZOLZSXGVXDI-ZSOGYDGISA-N 1 1 325.372 0.366 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000978952425 746945812 /nfs/dbraw/zinc/94/58/12/746945812.db2.gz HIXAZNUFHWQFLK-WCVJEAGWSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000978952425 746945815 /nfs/dbraw/zinc/94/58/15/746945815.db2.gz HIXAZNUFHWQFLK-WCVJEAGWSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000978953344 746947190 /nfs/dbraw/zinc/94/71/90/746947190.db2.gz NHAZPBPWSIUJEI-NXOAAHMSSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000978953344 746947195 /nfs/dbraw/zinc/94/71/95/746947195.db2.gz NHAZPBPWSIUJEI-NXOAAHMSSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000978953338 746947327 /nfs/dbraw/zinc/94/73/27/746947327.db2.gz NDUPFJJLRPRAJE-CRWXNKLISA-N 1 1 339.386 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000978953338 746947329 /nfs/dbraw/zinc/94/73/29/746947329.db2.gz NDUPFJJLRPRAJE-CRWXNKLISA-N 1 1 339.386 0.750 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000978953152 746947633 /nfs/dbraw/zinc/94/76/33/746947633.db2.gz LOKZPUCXSYESLB-BJJXKVORSA-N 1 1 346.406 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000978953152 746947637 /nfs/dbraw/zinc/94/76/37/746947637.db2.gz LOKZPUCXSYESLB-BJJXKVORSA-N 1 1 346.406 0.876 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@@H]2C1 ZINC001087992464 746951638 /nfs/dbraw/zinc/95/16/38/746951638.db2.gz WYNRIYPTEGZUQJ-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@@H]2C1 ZINC001087992464 746951644 /nfs/dbraw/zinc/95/16/44/746951644.db2.gz WYNRIYPTEGZUQJ-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)nc1 ZINC000978995057 747009536 /nfs/dbraw/zinc/00/95/36/747009536.db2.gz UDXPFFDYUWEOHJ-PHZGNYQRSA-N 1 1 336.399 0.299 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)nc1 ZINC000978995057 747009543 /nfs/dbraw/zinc/00/95/43/747009543.db2.gz UDXPFFDYUWEOHJ-PHZGNYQRSA-N 1 1 336.399 0.299 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]2C1 ZINC001088008989 747045645 /nfs/dbraw/zinc/04/56/45/747045645.db2.gz NPLNHVLFYPRBPS-CABCVRRESA-N 1 1 328.416 0.804 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)cn1 ZINC000979022421 747051416 /nfs/dbraw/zinc/05/14/16/747051416.db2.gz VAXFDMXFDDLPBS-OSYLJGHBSA-N 1 1 336.399 0.299 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)cn1 ZINC000979022421 747051425 /nfs/dbraw/zinc/05/14/25/747051425.db2.gz VAXFDMXFDDLPBS-OSYLJGHBSA-N 1 1 336.399 0.299 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]2C1 ZINC001088012917 747059100 /nfs/dbraw/zinc/05/91/00/747059100.db2.gz IFNRJDQTQCYDIF-CABCVRRESA-N 1 1 328.416 0.689 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002234941 747110551 /nfs/dbraw/zinc/11/05/51/747110551.db2.gz SYZUYZROWMHGDQ-DZUCGIPZSA-N 1 1 349.475 0.882 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cn3nccc3nc2C)CC1 ZINC001098518736 752153826 /nfs/dbraw/zinc/15/38/26/752153826.db2.gz VECSRQDHEBSLKL-UHFFFAOYSA-N 1 1 341.415 0.570 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C#CC1CC1 ZINC000985058414 747312551 /nfs/dbraw/zinc/31/25/51/747312551.db2.gz AKJMQWFBWFXEDA-XLNGHYISSA-N 1 1 347.459 0.615 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C#CC1CC1 ZINC000985058414 747312556 /nfs/dbraw/zinc/31/25/56/747312556.db2.gz AKJMQWFBWFXEDA-XLNGHYISSA-N 1 1 347.459 0.615 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001002411237 747316762 /nfs/dbraw/zinc/31/67/62/747316762.db2.gz ZSSRSBPPUPQYDA-HUUCEWRRSA-N 1 1 335.448 0.636 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001059484464 747323601 /nfs/dbraw/zinc/32/36/01/747323601.db2.gz LRMGPNPGPPVBSJ-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@@H]2C1 ZINC001088114294 747418972 /nfs/dbraw/zinc/41/89/72/747418972.db2.gz FYKDEEXNEUCQOQ-ZNMIVQPWSA-N 1 1 328.420 0.039 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@@H]2C1 ZINC001088114380 747419057 /nfs/dbraw/zinc/41/90/57/747419057.db2.gz KVMGPJZBJMITOG-XHSDSOJGSA-N 1 1 342.447 0.429 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001002495679 747433563 /nfs/dbraw/zinc/43/35/63/747433563.db2.gz HCJGBIQVMIMTTG-CJNGLKHVSA-N 1 1 348.447 0.364 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001088127756 747451770 /nfs/dbraw/zinc/45/17/70/747451770.db2.gz MENBHZVKVMESCV-CABCVRRESA-N 1 1 326.462 0.778 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001088127756 747451774 /nfs/dbraw/zinc/45/17/74/747451774.db2.gz MENBHZVKVMESCV-CABCVRRESA-N 1 1 326.462 0.778 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@@H]2C1 ZINC001088137240 747469273 /nfs/dbraw/zinc/46/92/73/747469273.db2.gz FOAIBZBPUVPBFE-HLLBOEOZSA-N 1 1 338.473 0.757 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(C#N)n2)C1 ZINC001059498668 747537941 /nfs/dbraw/zinc/53/79/41/747537941.db2.gz PMGWPIVKQLBPRR-WPXLMEDKSA-N 1 1 340.431 0.916 20 30 ECEDMO C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979300019 747543071 /nfs/dbraw/zinc/54/30/71/747543071.db2.gz ZKTBFSYZWVKDCV-YGRLFVJLSA-N 1 1 330.348 0.289 20 30 ECEDMO Cc1nonc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979295089 747558727 /nfs/dbraw/zinc/55/87/27/747558727.db2.gz QJGFEYHFKVHCMT-NHYWBVRUSA-N 1 1 344.375 0.597 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]2C1 ZINC001088160407 747559638 /nfs/dbraw/zinc/55/96/38/747559638.db2.gz RIUVYWCLOGNHTN-KGLIPLIRSA-N 1 1 346.431 0.120 20 30 ECEDMO Cc1nonc1C[NH2+][C@H](C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979297168 747563814 /nfs/dbraw/zinc/56/38/14/747563814.db2.gz UQMJCUIBYGAMIV-IAQYHMDHSA-N 1 1 344.375 0.597 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@@H]2C1 ZINC001088166580 747567225 /nfs/dbraw/zinc/56/72/25/747567225.db2.gz IJOPWACCLFFVID-HIFRSBDPSA-N 1 1 341.411 0.887 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnsn2)C1=O ZINC001027771329 747588661 /nfs/dbraw/zinc/58/86/61/747588661.db2.gz NHHYBKZWKMLFOG-YPMHNXCESA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnsn2)C1=O ZINC001027771329 747588665 /nfs/dbraw/zinc/58/86/65/747588665.db2.gz NHHYBKZWKMLFOG-YPMHNXCESA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C)n(C)n2)C1=O ZINC001027779257 747610343 /nfs/dbraw/zinc/61/03/43/747610343.db2.gz VIGGGXGJLQXADW-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C)n(C)n2)C1=O ZINC001027779257 747610347 /nfs/dbraw/zinc/61/03/47/747610347.db2.gz VIGGGXGJLQXADW-ZBFHGGJFSA-N 1 1 345.447 0.710 20 30 ECEDMO CCCn1ncnc1C[NH2+][C@H](C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979337991 747637280 /nfs/dbraw/zinc/63/72/80/747637280.db2.gz SQDGFSMWOZSUEL-GDBMZVCRSA-N 1 1 345.447 0.807 20 30 ECEDMO C[C@H]([NH2+]Cc1nnnn1C1CC1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979339702 747641201 /nfs/dbraw/zinc/64/12/01/747641201.db2.gz VMMNJESNUKQSCD-WFASDCNBSA-N 1 1 344.419 0.127 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]3C2)nc1 ZINC001088174224 747683544 /nfs/dbraw/zinc/68/35/44/747683544.db2.gz MJWFXXRLWHDNMF-CFVMTHIKSA-N 1 1 326.400 0.331 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@@H]2C1 ZINC001088206518 747738440 /nfs/dbraw/zinc/73/84/40/747738440.db2.gz UAPGZFAGYDFXBS-IXDOHACOSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnc(C)[nH]2)C1=O ZINC001027793239 747748805 /nfs/dbraw/zinc/74/88/05/747748805.db2.gz FZNXVBUIQJWXLY-ZFWWWQNUSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnc(C)[nH]2)C1=O ZINC001027793239 747748810 /nfs/dbraw/zinc/74/88/10/747748810.db2.gz FZNXVBUIQJWXLY-ZFWWWQNUSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccnc3C(N)=O)C[C@@H]2C1 ZINC001088209303 747750434 /nfs/dbraw/zinc/75/04/34/747750434.db2.gz PZDPRCHLLXXAMB-KGLIPLIRSA-N 1 1 326.400 0.598 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC001088226696 747773648 /nfs/dbraw/zinc/77/36/48/747773648.db2.gz VMCBNXYLMBRMFY-KRWDZBQOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3COCCN3C)CC2)C1 ZINC001088231577 747791244 /nfs/dbraw/zinc/79/12/44/747791244.db2.gz VHQKRKDLMYZQQG-ZWKOTPCHSA-N 1 1 349.475 0.280 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC001088233437 747791949 /nfs/dbraw/zinc/79/19/49/747791949.db2.gz QAARCJKCFMFGIS-IRXDYDNUSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCOCC2)C1 ZINC001002828279 747842392 /nfs/dbraw/zinc/84/23/92/747842392.db2.gz BTALBDUVJUMOTJ-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCOCC2)C1 ZINC001002828279 747842398 /nfs/dbraw/zinc/84/23/98/747842398.db2.gz BTALBDUVJUMOTJ-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(CC)on2)C1 ZINC001002828009 747842576 /nfs/dbraw/zinc/84/25/76/747842576.db2.gz ZUEZRJQFOPNMBW-INIZCTEOSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(CC)on2)C1 ZINC001002828009 747842583 /nfs/dbraw/zinc/84/25/83/747842583.db2.gz ZUEZRJQFOPNMBW-INIZCTEOSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC[C@@H]2CCCO2)C1 ZINC001002829179 747845378 /nfs/dbraw/zinc/84/53/78/747845378.db2.gz JPWKASWSISECJD-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC[C@@H]2CCCO2)C1 ZINC001002829179 747845386 /nfs/dbraw/zinc/84/53/86/747845386.db2.gz JPWKASWSISECJD-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c(C)noc2C)C1 ZINC001002830473 747847418 /nfs/dbraw/zinc/84/74/18/747847418.db2.gz TWYHVVRAFACEHD-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c(C)noc2C)C1 ZINC001002830473 747847425 /nfs/dbraw/zinc/84/74/25/747847425.db2.gz TWYHVVRAFACEHD-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001088238295 747858055 /nfs/dbraw/zinc/85/80/55/747858055.db2.gz QOIBGBYJZDRWCK-KRWDZBQOSA-N 1 1 330.432 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001002836264 747859004 /nfs/dbraw/zinc/85/90/04/747859004.db2.gz TWFZNHPWJSGEGG-KBMXLJTQSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001002836264 747859011 /nfs/dbraw/zinc/85/90/11/747859011.db2.gz TWFZNHPWJSGEGG-KBMXLJTQSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ocnc2CC)C1 ZINC001002836956 747859229 /nfs/dbraw/zinc/85/92/29/747859229.db2.gz WSEWHBAPHFBVEK-HNNXBMFYSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ocnc2CC)C1 ZINC001002836956 747859240 /nfs/dbraw/zinc/85/92/40/747859240.db2.gz WSEWHBAPHFBVEK-HNNXBMFYSA-N 1 1 344.415 0.523 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2nccnc2N)C1=O ZINC001027800685 747866985 /nfs/dbraw/zinc/86/69/85/747866985.db2.gz YHZKTJABFFOKQX-STQMWFEESA-N 1 1 344.419 0.040 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nccnc2N)C1=O ZINC001027800685 747866995 /nfs/dbraw/zinc/86/69/95/747866995.db2.gz YHZKTJABFFOKQX-STQMWFEESA-N 1 1 344.419 0.040 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]CC3CC3)C2)CC1 ZINC000979457773 747878944 /nfs/dbraw/zinc/87/89/44/747878944.db2.gz MUYKXZNTWGRPBE-QAPCUYQASA-N 1 1 333.476 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001027799266 747883259 /nfs/dbraw/zinc/88/32/59/747883259.db2.gz ZCPKNDXVZGSRKD-CVEARBPZSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001027799266 747883267 /nfs/dbraw/zinc/88/32/67/747883267.db2.gz ZCPKNDXVZGSRKD-CVEARBPZSA-N 1 1 345.447 0.884 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001002879491 747913341 /nfs/dbraw/zinc/91/33/41/747913341.db2.gz FNCYSOSIAAAMKM-SIIHOXLZSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001002879491 747913346 /nfs/dbraw/zinc/91/33/46/747913346.db2.gz FNCYSOSIAAAMKM-SIIHOXLZSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cn(C)nn3)CC2)C1=O ZINC000985415008 747939226 /nfs/dbraw/zinc/93/92/26/747939226.db2.gz MYMGBCISHFTEMS-HNNXBMFYSA-N 1 1 346.435 0.138 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027814055 747989539 /nfs/dbraw/zinc/98/95/39/747989539.db2.gz GKRSZBHPGXEZHP-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027814055 747989544 /nfs/dbraw/zinc/98/95/44/747989544.db2.gz GKRSZBHPGXEZHP-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029683720 748048641 /nfs/dbraw/zinc/04/86/41/748048641.db2.gz DIORPMPPDBSSHK-ZDUSSCGKSA-N 1 1 332.379 0.853 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681939 748056395 /nfs/dbraw/zinc/05/63/95/748056395.db2.gz PWKOBRDEPQPKPW-CYBMUJFWSA-N 1 1 332.379 0.853 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC001003055393 748123292 /nfs/dbraw/zinc/12/32/92/748123292.db2.gz GWYRVNQNRVMRLG-SFHVURJKSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cc(OC)no2)CC1 ZINC001003055070 748123690 /nfs/dbraw/zinc/12/36/90/748123690.db2.gz FLFFWVBQUQZQGL-INIZCTEOSA-N 1 1 346.431 0.861 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cc(OC)no2)CC1 ZINC001003055070 748123696 /nfs/dbraw/zinc/12/36/96/748123696.db2.gz FLFFWVBQUQZQGL-INIZCTEOSA-N 1 1 346.431 0.861 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCCC2=O)[nH]1 ZINC001027821647 748126827 /nfs/dbraw/zinc/12/68/27/748126827.db2.gz OJBSJFDYOGMBTK-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979639651 748148888 /nfs/dbraw/zinc/14/88/88/748148888.db2.gz FABOSHABONGPNO-UXIGCNINSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC000979651336 748159847 /nfs/dbraw/zinc/15/98/47/748159847.db2.gz SZEKCOVCVVQVIU-DZKIICNBSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC000979651336 748159851 /nfs/dbraw/zinc/15/98/51/748159851.db2.gz SZEKCOVCVVQVIU-DZKIICNBSA-N 1 1 343.431 0.142 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979659907 748175911 /nfs/dbraw/zinc/17/59/11/748175911.db2.gz AZARHVODCIEUEZ-MQMHXKEQSA-N 1 1 340.387 0.716 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC000985476300 748218617 /nfs/dbraw/zinc/21/86/17/748218617.db2.gz QLSNRTWBTBFVHH-HOTGVXAUSA-N 1 1 334.464 0.271 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001027828334 748228174 /nfs/dbraw/zinc/22/81/74/748228174.db2.gz JKDDLPLYXUGXIP-OALUTQOASA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001027828334 748228180 /nfs/dbraw/zinc/22/81/80/748228180.db2.gz JKDDLPLYXUGXIP-OALUTQOASA-N 1 1 341.455 0.949 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001029755265 748263126 /nfs/dbraw/zinc/26/31/26/748263126.db2.gz LGQJMBOKOUOOKT-LSDHHAIUSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cnns2)C1 ZINC001029758162 748271256 /nfs/dbraw/zinc/27/12/56/748271256.db2.gz SRRYKAUFMNFFEV-HOCLYGCPSA-N 1 1 347.488 0.916 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cnns2)C1 ZINC001029758162 748271262 /nfs/dbraw/zinc/27/12/62/748271262.db2.gz SRRYKAUFMNFFEV-HOCLYGCPSA-N 1 1 347.488 0.916 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nnn(C(C)(C)C)n3)C[C@H]2C1 ZINC000979724334 748291192 /nfs/dbraw/zinc/29/11/92/748291192.db2.gz DPQBJXDAIZBNFL-MELADBBJSA-N 1 1 330.436 0.892 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(CCOC)nn3)C[C@H]2C1 ZINC000979724823 748291745 /nfs/dbraw/zinc/29/17/45/748291745.db2.gz QIPQQHGRZWINFN-HRCADAONSA-N 1 1 345.447 0.778 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(=O)n(C)cn3)C[C@@H]2C1 ZINC000979799259 748415854 /nfs/dbraw/zinc/41/58/54/748415854.db2.gz YSWJPUQNBPJJKC-ZNMIVQPWSA-N 1 1 328.416 0.634 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(C(C)C)CCO3)C[C@@]2(C)C1 ZINC000982475447 752281678 /nfs/dbraw/zinc/28/16/78/752281678.db2.gz MWPSZHAIFCUPMV-YTQUADARSA-N 1 1 333.476 0.899 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029821767 748600919 /nfs/dbraw/zinc/60/09/19/748600919.db2.gz SGROKUFEBXQELY-BXUZGUMPSA-N 1 1 347.444 0.581 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029822191 748604734 /nfs/dbraw/zinc/60/47/34/748604734.db2.gz ZLCQHUINMRZUTB-CZUORRHYSA-N 1 1 341.415 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001020882849 752288980 /nfs/dbraw/zinc/28/89/80/752288980.db2.gz LJFVZALTIVFVRG-RWMBFGLXSA-N 1 1 325.359 0.408 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001020882849 752288985 /nfs/dbraw/zinc/28/89/85/752288985.db2.gz LJFVZALTIVFVRG-RWMBFGLXSA-N 1 1 325.359 0.408 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)[C@H]1CNC(=O)N1 ZINC001003533191 748652420 /nfs/dbraw/zinc/65/24/20/748652420.db2.gz OWNSKUXVZVOKRK-MRXNPFEDSA-N 1 1 344.390 0.439 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC000979967589 748759838 /nfs/dbraw/zinc/75/98/38/748759838.db2.gz NACQQDFRZILUPM-GMHRPJKWSA-N 1 1 345.443 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC000979967589 748759840 /nfs/dbraw/zinc/75/98/40/748759840.db2.gz NACQQDFRZILUPM-GMHRPJKWSA-N 1 1 345.443 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccon2)C1 ZINC000979968063 748760383 /nfs/dbraw/zinc/76/03/83/748760383.db2.gz QBOBKZRFACSRNY-YDHLFZDLSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccon2)C1 ZINC000979968063 748760386 /nfs/dbraw/zinc/76/03/86/748760386.db2.gz QBOBKZRFACSRNY-YDHLFZDLSA-N 1 1 330.388 0.397 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@@H+](C)[C@@H]3CCNC3=O)CC2)c1 ZINC000985637846 748774284 /nfs/dbraw/zinc/77/42/84/748774284.db2.gz NLIQGCQPQAZMIA-MRXNPFEDSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC ZINC001003675196 748783700 /nfs/dbraw/zinc/78/37/00/748783700.db2.gz RDQBSRSKWGQFTE-KBXIAJHMSA-N 1 1 335.473 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC ZINC001003675196 748783703 /nfs/dbraw/zinc/78/37/03/748783703.db2.gz RDQBSRSKWGQFTE-KBXIAJHMSA-N 1 1 335.473 0.695 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)CC(=O)N2CCC2)CC1 ZINC000985657866 748825780 /nfs/dbraw/zinc/82/57/80/748825780.db2.gz OEENRYCYOAMCOH-CVEARBPZSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3ccnnc3)CC2)C1=O ZINC000985669011 748842390 /nfs/dbraw/zinc/84/23/90/748842390.db2.gz WVLMTJFWAJQXSW-MRXNPFEDSA-N 1 1 343.431 0.800 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)nn1 ZINC001003755329 748865003 /nfs/dbraw/zinc/86/50/03/748865003.db2.gz VDGRHECZDOWYEN-GFCCVEGCSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cnn(C)n3)CC2)C1=O ZINC000985698930 748886591 /nfs/dbraw/zinc/88/65/91/748886591.db2.gz LLURKEDKHNFTFD-HNNXBMFYSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3nnc(C)o3)CC2)nn1 ZINC000985697024 748888529 /nfs/dbraw/zinc/88/85/29/748888529.db2.gz ZDVMKXZVBSKIJI-UHFFFAOYSA-N 1 1 345.407 0.892 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@@H+](C)Cc3nnc(C)o3)CC2)nn1 ZINC000985697024 748888536 /nfs/dbraw/zinc/88/85/36/748888536.db2.gz ZDVMKXZVBSKIJI-UHFFFAOYSA-N 1 1 345.407 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC000980058901 748906486 /nfs/dbraw/zinc/90/64/86/748906486.db2.gz IFNCKNKNNCIGAM-XUJLQICISA-N 1 1 343.431 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC000980058901 748906490 /nfs/dbraw/zinc/90/64/90/748906490.db2.gz IFNCKNKNNCIGAM-XUJLQICISA-N 1 1 343.431 0.665 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nnc(C)o3)C2)nn1 ZINC001029860012 748959863 /nfs/dbraw/zinc/95/98/63/748959863.db2.gz LGGDYLIWRKITSH-ZDUSSCGKSA-N 1 1 345.407 0.750 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nnc(C)o3)C2)nn1 ZINC001029860012 748959869 /nfs/dbraw/zinc/95/98/69/748959869.db2.gz LGGDYLIWRKITSH-ZDUSSCGKSA-N 1 1 345.407 0.750 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC([N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000985758015 749021458 /nfs/dbraw/zinc/02/14/58/749021458.db2.gz TVYJGEQDSCNHAO-ZDUSSCGKSA-N 1 1 344.415 0.504 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1CN(C(=O)C#CC3CC3)C1)CC2 ZINC001003905909 749029279 /nfs/dbraw/zinc/02/92/79/749029279.db2.gz YDADUEMAJXPYSZ-INIZCTEOSA-N 1 1 340.427 0.742 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(=O)c(OC)c[nH]3)C[C@@H]2C1 ZINC000980138794 749048742 /nfs/dbraw/zinc/04/87/42/749048742.db2.gz FFNSCYBRCBPKMS-BFHYXJOUSA-N 1 1 329.400 0.847 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980155566 749081511 /nfs/dbraw/zinc/08/15/11/749081511.db2.gz FJIWWUHYOLQKFA-MJBXVCDLSA-N 1 1 332.404 0.352 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001059646834 749098370 /nfs/dbraw/zinc/09/83/70/749098370.db2.gz YGSUONDKXCHGMY-INIZCTEOSA-N 1 1 337.464 0.723 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@H]3C2)cc1 ZINC000980166689 749101300 /nfs/dbraw/zinc/10/13/00/749101300.db2.gz QGJSKTSLECRNGO-HRCADAONSA-N 1 1 326.400 0.760 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@@H]2C1 ZINC000980166570 749101341 /nfs/dbraw/zinc/10/13/41/749101341.db2.gz XSZMNVUWIVWFRT-ARFHVFGLSA-N 1 1 334.464 0.211 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccnc4c3nnn4C)C[C@H]2C1 ZINC000980177673 749110988 /nfs/dbraw/zinc/11/09/88/749110988.db2.gz YOZHHWPWLABYGX-MELADBBJSA-N 1 1 338.415 0.827 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001059648219 749113206 /nfs/dbraw/zinc/11/32/06/749113206.db2.gz OPSWXQCDMYDTAV-MRXNPFEDSA-N 1 1 346.431 0.586 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001059648457 749114688 /nfs/dbraw/zinc/11/46/88/749114688.db2.gz SSOSBPPGPHEFLU-JKSUJKDBSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC000980181247 749117796 /nfs/dbraw/zinc/11/77/96/749117796.db2.gz CKBWSFKVVXHWRD-QEJZJMRPSA-N 1 1 331.416 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCO)C[C@H]3C2)nn1 ZINC000980183404 749131167 /nfs/dbraw/zinc/13/11/67/749131167.db2.gz LBJQQGGFBQAFFR-RRFJBIMHSA-N 1 1 333.436 0.677 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)nn1 ZINC000980185533 749135487 /nfs/dbraw/zinc/13/54/87/749135487.db2.gz WFOOBIZWOKLMPC-MELADBBJSA-N 1 1 346.435 0.170 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980186939 749139666 /nfs/dbraw/zinc/13/96/66/749139666.db2.gz QBOJNNUBXNHVHL-HBNTYKKESA-N 1 1 330.226 0.597 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c(C)cc(C)nc3=O)C[C@H]2C1 ZINC000980187296 749139832 /nfs/dbraw/zinc/13/98/32/749139832.db2.gz HJONMQCFTXLNSW-YESZJQIVSA-N 1 1 342.443 0.710 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nc4ncccn4n3)C[C@@H]2C1 ZINC000980188313 749142978 /nfs/dbraw/zinc/14/29/78/749142978.db2.gz MDQJDTVVKBZZPH-RRFJBIMHSA-N 1 1 338.415 0.978 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000985817053 749161348 /nfs/dbraw/zinc/16/13/48/749161348.db2.gz WRQSWLXNEMXTEF-LLVKDONJSA-N 1 1 327.812 0.715 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)CSC)CC2)CC1 ZINC000985823704 749175421 /nfs/dbraw/zinc/17/54/21/749175421.db2.gz VWZGHZORKOQVHI-UHFFFAOYSA-N 1 1 340.493 0.807 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 ZINC000980205556 749181614 /nfs/dbraw/zinc/18/16/14/749181614.db2.gz DVYABVFRDKUNRN-BFHYXJOUSA-N 1 1 334.420 0.283 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3C2)nc1 ZINC000980207301 749185237 /nfs/dbraw/zinc/18/52/37/749185237.db2.gz IYYLPSRDQHOAEC-RRFJBIMHSA-N 1 1 326.400 0.379 20 30 ECEDMO C=CCN1CCN(C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000985832746 749201281 /nfs/dbraw/zinc/20/12/81/749201281.db2.gz OGNAQGNBQMSGHU-INIZCTEOSA-N 1 1 349.479 0.006 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(C(=O)NC)n3)C[C@H]2C1 ZINC000980234571 749216768 /nfs/dbraw/zinc/21/67/68/749216768.db2.gz XBMHUDOJENPAJV-KKUMJFAQSA-N 1 1 340.427 0.905 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000980237836 749240608 /nfs/dbraw/zinc/24/06/08/749240608.db2.gz SUNHWDKBILAXQE-BFHYXJOUSA-N 1 1 346.431 0.167 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC000980240180 749244814 /nfs/dbraw/zinc/24/48/14/749244814.db2.gz CNODYNNINBVRNZ-MELADBBJSA-N 1 1 334.420 0.283 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC000980243633 749249079 /nfs/dbraw/zinc/24/90/79/749249079.db2.gz KANHSZXKVFFCAL-BFHYXJOUSA-N 1 1 343.431 0.982 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001060292867 761934004 /nfs/dbraw/zinc/93/40/04/761934004.db2.gz YSYTWFSTOZXZHP-CHWSQXEVSA-N 1 1 347.419 0.864 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(N)=O)ccn3)C[C@H]2C1 ZINC000980266225 749275449 /nfs/dbraw/zinc/27/54/49/749275449.db2.gz JHFJLUPCBGZNDG-KKUMJFAQSA-N 1 1 326.400 0.644 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@H]2CCC[N@H+]2Cc2nc(=O)n(C)[nH]2)CC1 ZINC001004398685 749465486 /nfs/dbraw/zinc/46/54/86/749465486.db2.gz VOVFSFAFWIIDGO-GXTWGEPZSA-N 1 1 346.435 0.471 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCCNC3=O)C2)cn1 ZINC001029892049 749467015 /nfs/dbraw/zinc/46/70/15/749467015.db2.gz NZBXSSCABUUPCE-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CN=NC2=O)CC1 ZINC001004410016 749474005 /nfs/dbraw/zinc/47/40/05/749474005.db2.gz XCWXUAXIKQAUMC-OAHLLOKOSA-N 1 1 331.420 0.710 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001040149233 749499159 /nfs/dbraw/zinc/49/91/59/749499159.db2.gz XWOINGJLSMCQQG-IBGZPJMESA-N 1 1 349.475 0.744 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC001004455988 749521990 /nfs/dbraw/zinc/52/19/90/749521990.db2.gz LFJBABZLTNUQJC-SUMWQHHRSA-N 1 1 340.427 0.449 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004460440 749528109 /nfs/dbraw/zinc/52/81/09/749528109.db2.gz ZHKNEHRDIWLJOH-IRXDYDNUSA-N 1 1 346.475 0.272 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001004475286 749544860 /nfs/dbraw/zinc/54/48/60/749544860.db2.gz SLRQRSUPKFCCFW-KRWDZBQOSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001004508155 749580801 /nfs/dbraw/zinc/58/08/01/749580801.db2.gz SGODZUDLACGJCR-HZPDHXFCSA-N 1 1 332.448 0.736 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3ccc[nH]3)C2)C1=O ZINC000980453504 749585714 /nfs/dbraw/zinc/58/57/14/749585714.db2.gz BBKFCNCMVQBMNB-HZPDHXFCSA-N 1 1 330.432 0.877 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000986136020 749607367 /nfs/dbraw/zinc/60/73/67/749607367.db2.gz RHABATCUQGFIGR-DGCLKSJQSA-N 1 1 342.407 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cnc(C)cn1 ZINC001027940386 749634521 /nfs/dbraw/zinc/63/45/21/749634521.db2.gz LTHOOYSZEZIBLZ-ROUUACIJSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cnc(C)cn1 ZINC001027940386 749634527 /nfs/dbraw/zinc/63/45/27/749634527.db2.gz LTHOOYSZEZIBLZ-ROUUACIJSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cnc(C)cn1 ZINC001027940386 749634531 /nfs/dbraw/zinc/63/45/31/749634531.db2.gz LTHOOYSZEZIBLZ-ROUUACIJSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnc(C)cn1 ZINC001027940386 749634538 /nfs/dbraw/zinc/63/45/38/749634538.db2.gz LTHOOYSZEZIBLZ-ROUUACIJSA-N 1 1 341.459 0.963 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC(N)=O)CC2)nn1 ZINC001004576013 749649141 /nfs/dbraw/zinc/64/91/41/749649141.db2.gz CDBZOJYGAMEXPS-HNNXBMFYSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ncnn1CC ZINC001027943404 749658727 /nfs/dbraw/zinc/65/87/27/749658727.db2.gz MXWNXZQNLMYPRL-HOTGVXAUSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ncnn1CC ZINC001027943404 749658732 /nfs/dbraw/zinc/65/87/32/749658732.db2.gz MXWNXZQNLMYPRL-HOTGVXAUSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cncn1C ZINC001027942774 749667331 /nfs/dbraw/zinc/66/73/31/749667331.db2.gz GYDZRAPVNDQYTQ-RDJZCZTQSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cncn1C ZINC001027942774 749667333 /nfs/dbraw/zinc/66/73/33/749667333.db2.gz GYDZRAPVNDQYTQ-RDJZCZTQSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC001004612113 749686018 /nfs/dbraw/zinc/68/60/18/749686018.db2.gz ZJURXIKYKCJJPM-INIZCTEOSA-N 1 1 328.416 0.730 20 30 ECEDMO CC[NH+]=C(NCCN1CCSCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262791167 749774017 /nfs/dbraw/zinc/77/40/17/749774017.db2.gz NZLUICPEIPZSJF-MRXNPFEDSA-N 1 1 337.537 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)c3cn[nH]c3)CC2)C1=O ZINC001029941462 749989540 /nfs/dbraw/zinc/98/95/40/749989540.db2.gz XDWDHWYYRBLFHC-INIZCTEOSA-N 1 1 345.447 0.981 20 30 ECEDMO Cn1cnnc1C[N@H+](C)CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001029956665 750071404 /nfs/dbraw/zinc/07/14/04/750071404.db2.gz BKBARQRNPCOMHQ-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1cnnc1C[N@@H+](C)CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001029956665 750071410 /nfs/dbraw/zinc/07/14/10/750071410.db2.gz BKBARQRNPCOMHQ-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cc1ccc(C#N)c(N(C)CCN(C)C(=O)CC[NH+]2CCOCC2)n1 ZINC001105434436 750086963 /nfs/dbraw/zinc/08/69/63/750086963.db2.gz VEKAGHXJXOLNCA-UHFFFAOYSA-N 1 1 345.447 0.879 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058846670 750115901 /nfs/dbraw/zinc/11/59/01/750115901.db2.gz BVEYKBHKAPWTRK-CQSZACIVSA-N 1 1 325.453 0.478 20 30 ECEDMO COc1ccc(C#N)cc1CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030181827 762017063 /nfs/dbraw/zinc/01/70/63/762017063.db2.gz GZIKLCMROYVQLZ-KRWDZBQOSA-N 1 1 344.415 0.198 20 30 ECEDMO COc1ccc(C#N)cc1CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030181827 762017072 /nfs/dbraw/zinc/01/70/72/762017072.db2.gz GZIKLCMROYVQLZ-KRWDZBQOSA-N 1 1 344.415 0.198 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3cnn(C)c3)CC2)C1=O ZINC000980821130 750223444 /nfs/dbraw/zinc/22/34/44/750223444.db2.gz YSUHVXRIDNAYCA-INIZCTEOSA-N 1 1 345.447 0.284 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3cnn(C)c3)CC2)C1=O ZINC000980821130 750223448 /nfs/dbraw/zinc/22/34/48/750223448.db2.gz YSUHVXRIDNAYCA-INIZCTEOSA-N 1 1 345.447 0.284 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCCNc2cncc(C#N)n2)C1 ZINC001114946579 750238976 /nfs/dbraw/zinc/23/89/76/750238976.db2.gz PJMQECDOVDBVOT-UKRRQHHQSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCCNc2cncc(C#N)n2)C1 ZINC001114946579 750238979 /nfs/dbraw/zinc/23/89/79/750238979.db2.gz PJMQECDOVDBVOT-UKRRQHHQSA-N 1 1 346.435 0.766 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)c1 ZINC001027994439 750252990 /nfs/dbraw/zinc/25/29/90/750252990.db2.gz NIWHEUPYPCBXJU-MRXNPFEDSA-N 1 1 331.416 0.712 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001059737263 750259448 /nfs/dbraw/zinc/25/94/48/750259448.db2.gz IRBUDIXUXYXXHZ-KFWWJZLASA-N 1 1 342.447 0.807 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)CCOC3)C2)nn1 ZINC001105349685 750441526 /nfs/dbraw/zinc/44/15/26/750441526.db2.gz OGJQLDHENNQRTE-QGZVFWFLSA-N 1 1 349.435 0.380 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCNC2=O)cc1 ZINC001028066747 750464454 /nfs/dbraw/zinc/46/44/54/750464454.db2.gz IHEYOXQIXWZUEP-KRWDZBQOSA-N 1 1 340.427 0.887 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)NC1=O ZINC001028076868 750537618 /nfs/dbraw/zinc/53/76/18/750537618.db2.gz ZEBPRIFLSDTAFW-CVEARBPZSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnon3)[C@@H]2C)nn1 ZINC000987165486 750558669 /nfs/dbraw/zinc/55/86/69/750558669.db2.gz DUAIIDAJJMBITB-AAEUAGOBSA-N 1 1 331.380 0.630 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCOC1)C2 ZINC001005815774 750674355 /nfs/dbraw/zinc/67/43/55/750674355.db2.gz RXSXWYIZQULEMP-MTSZKFMLSA-N 1 1 345.443 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCOC1)C2 ZINC001005815774 750674358 /nfs/dbraw/zinc/67/43/58/750674358.db2.gz RXSXWYIZQULEMP-MTSZKFMLSA-N 1 1 345.443 0.369 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3nnn(C)n3)C2)nc1 ZINC000981463984 750719745 /nfs/dbraw/zinc/71/97/45/750719745.db2.gz LHDBZHFKTWRHTL-KGLIPLIRSA-N 1 1 339.403 0.417 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3nnn(C)n3)C2)nc1 ZINC000981463983 750719943 /nfs/dbraw/zinc/71/99/43/750719943.db2.gz LHDBZHFKTWRHTL-KBPBESRZSA-N 1 1 339.403 0.417 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2cnc3ccc(OC)nn32)CC1 ZINC000981477490 750733278 /nfs/dbraw/zinc/73/32/78/750733278.db2.gz XILAVMTXUOSUCT-UHFFFAOYSA-N 1 1 327.388 0.909 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2cnc3ccc(OC)nn32)CC1 ZINC000981477490 750733283 /nfs/dbraw/zinc/73/32/83/750733283.db2.gz XILAVMTXUOSUCT-UHFFFAOYSA-N 1 1 327.388 0.909 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001005860857 750739808 /nfs/dbraw/zinc/73/98/08/750739808.db2.gz CVYTUZDPOUYYQU-QWHCGFSZSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001005867394 750746248 /nfs/dbraw/zinc/74/62/48/750746248.db2.gz RPMMVWPQUBIEDB-YPMHNXCESA-N 1 1 329.404 0.415 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC([C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001005942492 750825296 /nfs/dbraw/zinc/82/52/96/750825296.db2.gz CVAIQLBGKVBWOC-LBPRGKRZSA-N 1 1 340.387 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnco2)C1 ZINC000981626115 750900369 /nfs/dbraw/zinc/90/03/69/750900369.db2.gz ZXERZOGZDHELLD-ZNMIVQPWSA-N 1 1 344.415 0.787 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnco2)C1 ZINC000981626115 750900375 /nfs/dbraw/zinc/90/03/75/750900375.db2.gz ZXERZOGZDHELLD-ZNMIVQPWSA-N 1 1 344.415 0.787 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000987533281 750946393 /nfs/dbraw/zinc/94/63/93/750946393.db2.gz VEUZTOOIEOGKDK-ZLDLUXBVSA-N 1 1 329.404 0.700 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000981722061 751014249 /nfs/dbraw/zinc/01/42/49/751014249.db2.gz JMNJQBAXFCLBCT-CYBMUJFWSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001006110500 751023822 /nfs/dbraw/zinc/02/38/22/751023822.db2.gz CWDPPMZDEBZVTB-RYUDHWBXSA-N 1 1 329.404 0.415 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001059821072 751095945 /nfs/dbraw/zinc/09/59/45/751095945.db2.gz LEMQYBBQXICBKO-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC000981801364 751116726 /nfs/dbraw/zinc/11/67/26/751116726.db2.gz RYDBRFFBWGEUOW-INIZCTEOSA-N 1 1 347.459 0.429 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC2CC2)c1 ZINC001028127945 751134498 /nfs/dbraw/zinc/13/44/98/751134498.db2.gz YXRUHHQPUZWERI-INIZCTEOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC2CC2)c1 ZINC001028127945 751134499 /nfs/dbraw/zinc/13/44/99/751134499.db2.gz YXRUHHQPUZWERI-INIZCTEOSA-N 1 1 326.400 0.536 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000981819004 751135433 /nfs/dbraw/zinc/13/54/33/751135433.db2.gz JAXMTMBQDRSCIU-ZDUSSCGKSA-N 1 1 334.420 0.475 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCN(C)C2=O)c1 ZINC001028130241 751154376 /nfs/dbraw/zinc/15/43/76/751154376.db2.gz ZXOMFBXMQHSSHG-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCN(C)C2=O)c1 ZINC001028130241 751154382 /nfs/dbraw/zinc/15/43/82/751154382.db2.gz ZXOMFBXMQHSSHG-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001006285253 751202254 /nfs/dbraw/zinc/20/22/54/751202254.db2.gz WWPOTSZKPSLNFG-UHFFFAOYSA-N 1 1 342.827 0.556 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001028146447 751225467 /nfs/dbraw/zinc/22/54/67/751225467.db2.gz GSKNXSTWBHEKOZ-KFWWJZLASA-N 1 1 336.436 0.183 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H](OC)C(C)C)CC2)C1=O ZINC000981877637 751236832 /nfs/dbraw/zinc/23/68/32/751236832.db2.gz JUZQDIKPHTVKDG-HOTGVXAUSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H](OC)C(C)C)CC2)C1=O ZINC000981877637 751236833 /nfs/dbraw/zinc/23/68/33/751236833.db2.gz JUZQDIKPHTVKDG-HOTGVXAUSA-N 1 1 337.464 0.979 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC000981878684 751238917 /nfs/dbraw/zinc/23/89/17/751238917.db2.gz UJFZHDDXYMARJA-UHFFFAOYSA-N 1 1 331.416 0.473 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000987828285 751243712 /nfs/dbraw/zinc/24/37/12/751243712.db2.gz ZKKBZTXRSCQTKG-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC000981896980 751250191 /nfs/dbraw/zinc/25/01/91/751250191.db2.gz DAMQAPVLGWDSMJ-CABCVRRESA-N 1 1 333.432 0.357 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nncn4CC3)C2)C1 ZINC000981899487 751256280 /nfs/dbraw/zinc/25/62/80/751256280.db2.gz KQTABPSEVRFNCU-HNNXBMFYSA-N 1 1 327.432 0.788 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2nonc2C)C1 ZINC001006347580 751271690 /nfs/dbraw/zinc/27/16/90/751271690.db2.gz GGLPIKKNSNRHMN-FZMZJTMJSA-N 1 1 345.403 0.052 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2nonc2C)C1 ZINC001006347580 751271694 /nfs/dbraw/zinc/27/16/94/751271694.db2.gz GGLPIKKNSNRHMN-FZMZJTMJSA-N 1 1 345.403 0.052 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC000981926683 751282099 /nfs/dbraw/zinc/28/20/99/751282099.db2.gz OPFBXMKIONFOHU-UHFFFAOYSA-N 1 1 341.437 0.171 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001006354867 751283151 /nfs/dbraw/zinc/28/31/51/751283151.db2.gz IXRUDTAFEZRZGB-GHMZBOCLSA-N 1 1 333.392 0.473 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007339204 752305997 /nfs/dbraw/zinc/30/59/97/752305997.db2.gz XVCCQXLJTYYQEP-KBPBESRZSA-N 1 1 331.420 0.919 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001007359823 752327102 /nfs/dbraw/zinc/32/71/02/752327102.db2.gz GNEZLJRXUWEWLO-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001007359823 752327109 /nfs/dbraw/zinc/32/71/09/752327109.db2.gz GNEZLJRXUWEWLO-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)cn1 ZINC001020948039 752374214 /nfs/dbraw/zinc/37/42/14/752374214.db2.gz QTKMUSRPXADXNV-HDJSIYSDSA-N 1 1 340.387 0.563 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000988643338 752457412 /nfs/dbraw/zinc/45/74/12/752457412.db2.gz FBLLCMRAACBFAZ-YPMHNXCESA-N 1 1 342.407 0.676 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nonc2C)C1=O ZINC001028351657 752459345 /nfs/dbraw/zinc/45/93/45/752459345.db2.gz QFIRNNBTFGQMPJ-CHWSQXEVSA-N 1 1 333.392 0.359 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nonc2C)C1=O ZINC001028351657 752459349 /nfs/dbraw/zinc/45/93/49/752459349.db2.gz QFIRNNBTFGQMPJ-CHWSQXEVSA-N 1 1 333.392 0.359 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000988650267 752469633 /nfs/dbraw/zinc/46/96/33/752469633.db2.gz DTIJIRJMZVSMRI-WCQYABFASA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(OC)no2)C1 ZINC001007520057 752477236 /nfs/dbraw/zinc/47/72/36/752477236.db2.gz XGYGTDIUHLXSSE-ZBFHGGJFSA-N 1 1 346.431 0.861 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(OC)no2)C1 ZINC001007520057 752477239 /nfs/dbraw/zinc/47/72/39/752477239.db2.gz XGYGTDIUHLXSSE-ZBFHGGJFSA-N 1 1 346.431 0.861 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988654644 752487560 /nfs/dbraw/zinc/48/75/60/752487560.db2.gz MGEVQZPMTDJMKB-PWSUYJOCSA-N 1 1 340.391 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)CC)C2)C1 ZINC001007541513 752499877 /nfs/dbraw/zinc/49/98/77/752499877.db2.gz BPQOPXPCOCYUPD-MAUKXSAKSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)CC)C2)C1 ZINC001007541513 752499882 /nfs/dbraw/zinc/49/98/82/752499882.db2.gz BPQOPXPCOCYUPD-MAUKXSAKSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NCc3cnns3)C2)CC1 ZINC001021089628 752528760 /nfs/dbraw/zinc/52/87/60/752528760.db2.gz FMGOERHMPDZHMX-HDJSIYSDSA-N 1 1 333.461 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000982501339 752571521 /nfs/dbraw/zinc/57/15/21/752571521.db2.gz IGFQSRMORXMINS-ZBFHGGJFSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000982501339 752571525 /nfs/dbraw/zinc/57/15/25/752571525.db2.gz IGFQSRMORXMINS-ZBFHGGJFSA-N 1 1 343.431 0.394 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000937853312 752572927 /nfs/dbraw/zinc/57/29/27/752572927.db2.gz MGZKDUMUKPONAJ-OSAQELSMSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000982502769 752578553 /nfs/dbraw/zinc/57/85/53/752578553.db2.gz HJWVCJSAMHIDPI-KDURUIRLSA-N 1 1 343.402 0.833 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001028413040 752585356 /nfs/dbraw/zinc/58/53/56/752585356.db2.gz VKPREQSRHKRQDQ-NWDGAFQWSA-N 1 1 333.226 0.749 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001028413040 752585364 /nfs/dbraw/zinc/58/53/64/752585364.db2.gz VKPREQSRHKRQDQ-NWDGAFQWSA-N 1 1 333.226 0.749 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC001112122444 752588093 /nfs/dbraw/zinc/58/80/93/752588093.db2.gz MYPVTHPKXVIFDF-NXEZZACHSA-N 1 1 326.340 0.033 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2F)[C@@H]1C ZINC000988737801 752639928 /nfs/dbraw/zinc/63/99/28/752639928.db2.gz HONZLFOMUWLWRA-XBFCOCLRSA-N 1 1 347.394 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2F)[C@@H]1C ZINC000988737801 752639929 /nfs/dbraw/zinc/63/99/29/752639929.db2.gz HONZLFOMUWLWRA-XBFCOCLRSA-N 1 1 347.394 0.366 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001075919843 752665231 /nfs/dbraw/zinc/66/52/31/752665231.db2.gz DPFAXMQGUAWJJR-ZFWWWQNUSA-N 1 1 348.447 0.968 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001075920207 752682000 /nfs/dbraw/zinc/68/20/00/752682000.db2.gz VBHSTQGGDIIORV-UONOGXRCSA-N 1 1 334.420 0.974 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)s1 ZINC001028448853 752686357 /nfs/dbraw/zinc/68/63/57/752686357.db2.gz OSAJQQZAOCXWPV-BXUZGUMPSA-N 1 1 332.429 0.836 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cnn(CC)c3)C2)C1=O ZINC001028452031 752690407 /nfs/dbraw/zinc/69/04/07/752690407.db2.gz DRWDVXWYHVRFSS-GDBMZVCRSA-N 1 1 345.447 0.742 20 30 ECEDMO COCCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1cnc(C#N)cn1 ZINC001126372766 752798464 /nfs/dbraw/zinc/79/84/64/752798464.db2.gz IZBZDXLUGYQKKA-AWEZNQCLSA-N 1 1 346.435 0.259 20 30 ECEDMO Cn1nccc1CC[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028490114 752829332 /nfs/dbraw/zinc/82/93/32/752829332.db2.gz GBJGSSUDTSCPFF-ZDUSSCGKSA-N 1 1 326.404 0.914 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001028489889 752829785 /nfs/dbraw/zinc/82/97/85/752829785.db2.gz DDPWOXQLFMOXBC-MAUKXSAKSA-N 1 1 342.443 0.827 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC001007712871 752848633 /nfs/dbraw/zinc/84/86/33/752848633.db2.gz PJAZGFPFUTZHSP-DYVFJYSZSA-N 1 1 345.403 0.181 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nc2C)[C@@H](O)C1 ZINC001083460513 752885328 /nfs/dbraw/zinc/88/53/28/752885328.db2.gz LCZNKOHZKQILIH-BMFZPTHFSA-N 1 1 334.420 0.504 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)OC)C1 ZINC000988797683 752894839 /nfs/dbraw/zinc/89/48/39/752894839.db2.gz ZJPHGEDGLTUDLL-HRCADAONSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)OC)C1 ZINC000988797683 752894843 /nfs/dbraw/zinc/89/48/43/752894843.db2.gz ZJPHGEDGLTUDLL-HRCADAONSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000988813174 752914272 /nfs/dbraw/zinc/91/42/72/752914272.db2.gz QXRGMDFWBNXUOD-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCS[C@@H](C(C)C)C1 ZINC000261728568 752929890 /nfs/dbraw/zinc/92/98/90/752929890.db2.gz JGDBKJLOUGMBEA-HUUCEWRRSA-N 1 1 325.526 0.635 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001211814219 752939535 /nfs/dbraw/zinc/93/95/35/752939535.db2.gz XBHUTFXGVLLCRG-CSMYWGQOSA-N 1 1 344.415 0.398 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001211814219 752939539 /nfs/dbraw/zinc/93/95/39/752939539.db2.gz XBHUTFXGVLLCRG-CSMYWGQOSA-N 1 1 344.415 0.398 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001028505780 752954135 /nfs/dbraw/zinc/95/41/35/752954135.db2.gz MJQGZUYTKXLELY-SFHVURJKSA-N 1 1 339.439 0.955 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001059934836 752955532 /nfs/dbraw/zinc/95/55/32/752955532.db2.gz VKZNWHJZKIEBFQ-QGZVFWFLSA-N 1 1 349.475 0.723 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cncn3C)C2)C1=O ZINC001007813553 752955611 /nfs/dbraw/zinc/95/56/11/752955611.db2.gz UYZYFQWXKWIBRV-UONOGXRCSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cncn3C)C2)C1=O ZINC001007813553 752955619 /nfs/dbraw/zinc/95/56/19/752955619.db2.gz UYZYFQWXKWIBRV-UONOGXRCSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cnnc(C)c3)C2)C1=O ZINC001028507040 752964665 /nfs/dbraw/zinc/96/46/65/752964665.db2.gz NXEIFNSLWBOSDW-GOEBONIOSA-N 1 1 343.431 0.624 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)C1CS(=O)(=O)C1 ZINC000988878863 752986960 /nfs/dbraw/zinc/98/69/60/752986960.db2.gz MKHFEBXGORRQPP-WBMJQRKESA-N 1 1 347.440 0.682 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001007847977 752987156 /nfs/dbraw/zinc/98/71/56/752987156.db2.gz YQNMLCKCXCBBOO-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028519651 753018337 /nfs/dbraw/zinc/01/83/37/753018337.db2.gz QRBUAFSMQIYVAT-ABAIWWIYSA-N 1 1 346.362 0.744 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028519651 753018339 /nfs/dbraw/zinc/01/83/39/753018339.db2.gz QRBUAFSMQIYVAT-ABAIWWIYSA-N 1 1 346.362 0.744 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CCNC(=O)C#CC2CC2)C1 ZINC001059941231 753091394 /nfs/dbraw/zinc/09/13/94/753091394.db2.gz IUBGWSYLGVOHFE-MRXNPFEDSA-N 1 1 328.416 0.960 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001007999170 753190460 /nfs/dbraw/zinc/19/04/60/753190460.db2.gz TZFLQWCCEDCDIW-KGLIPLIRSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001007999170 753190464 /nfs/dbraw/zinc/19/04/64/753190464.db2.gz TZFLQWCCEDCDIW-KGLIPLIRSA-N 1 1 337.464 0.882 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(=O)n(CC)n3)C[C@@]2(C)C1 ZINC000982652514 753222386 /nfs/dbraw/zinc/22/23/86/753222386.db2.gz VSCKZVMHQJDMFV-HDICACEKSA-N 1 1 328.416 0.680 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC001008055028 753245908 /nfs/dbraw/zinc/24/59/08/753245908.db2.gz RFNXATCPNSQBMB-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO CC(C)Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 ZINC001051493963 762204062 /nfs/dbraw/zinc/20/40/62/762204062.db2.gz CNECTKDGUIABFT-UONOGXRCSA-N 1 1 334.424 0.411 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001028578858 753333646 /nfs/dbraw/zinc/33/36/46/753333646.db2.gz VXRFNXIZCBIXQB-UONOGXRCSA-N 1 1 343.855 0.672 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001028578858 753333648 /nfs/dbraw/zinc/33/36/48/753333648.db2.gz VXRFNXIZCBIXQB-UONOGXRCSA-N 1 1 343.855 0.672 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@@]2(C)C1 ZINC000982772416 753519473 /nfs/dbraw/zinc/51/94/73/753519473.db2.gz JVPKLYQFVWSMQV-YTQUADARSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)CC1(C)C ZINC001008275054 753537114 /nfs/dbraw/zinc/53/71/14/753537114.db2.gz DWYKKEBCHGKGBZ-UONOGXRCSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)CC1(C)C ZINC001008275054 753537120 /nfs/dbraw/zinc/53/71/20/753537120.db2.gz DWYKKEBCHGKGBZ-UONOGXRCSA-N 1 1 343.431 0.474 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 ZINC001098680906 753595451 /nfs/dbraw/zinc/59/54/51/753595451.db2.gz LHRNGNDDYJVFEV-HOTGVXAUSA-N 1 1 345.451 0.539 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1)C1CCC1 ZINC001098683078 753690278 /nfs/dbraw/zinc/69/02/78/753690278.db2.gz PGQGJNXBQNQSCL-OAHLLOKOSA-N 1 1 331.424 0.149 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001083368593 753704902 /nfs/dbraw/zinc/70/49/02/753704902.db2.gz RBDNAQHIJOQHMU-IKGGRYGDSA-N 1 1 346.406 0.453 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001028593951 753769714 /nfs/dbraw/zinc/76/97/14/753769714.db2.gz XTFBCXULJFXZPZ-AWEZNQCLSA-N 1 1 339.461 0.770 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001028593951 753769718 /nfs/dbraw/zinc/76/97/18/753769718.db2.gz XTFBCXULJFXZPZ-AWEZNQCLSA-N 1 1 339.461 0.770 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)c2cnc(C#N)cn2)CC[N@H+]1C ZINC001105582475 753863139 /nfs/dbraw/zinc/86/31/39/753863139.db2.gz WJOZAMSIHCLMOS-LSDHHAIUSA-N 1 1 330.436 0.973 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001028601476 753881456 /nfs/dbraw/zinc/88/14/56/753881456.db2.gz PKTYSNPKWPITNK-WBVHZDCISA-N 1 1 344.463 0.334 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001028601476 753881461 /nfs/dbraw/zinc/88/14/61/753881461.db2.gz PKTYSNPKWPITNK-WBVHZDCISA-N 1 1 344.463 0.334 20 30 ECEDMO C#CC[N@H+](C)CCCN1C(=O)N[C@@H](c2ccc(OC)c(O)c2)C1=O ZINC000925315354 753885071 /nfs/dbraw/zinc/88/50/71/753885071.db2.gz WWTUBWGIFFDIQO-HNNXBMFYSA-N 1 1 331.372 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@]3(C)CCOC3)CC2)C1=O ZINC000982872471 754046454 /nfs/dbraw/zinc/04/64/54/754046454.db2.gz VMXUHTSCEALGNJ-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@]3(C)CCOC3)CC2)C1=O ZINC000982872471 754046460 /nfs/dbraw/zinc/04/64/60/754046460.db2.gz VMXUHTSCEALGNJ-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028636357 754062688 /nfs/dbraw/zinc/06/26/88/754062688.db2.gz ACYNJECISKTLRG-NSHDSACASA-N 1 1 327.406 0.555 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000989564744 754119018 /nfs/dbraw/zinc/11/90/18/754119018.db2.gz MKVQIJZXCAGXKL-QGZVFWFLSA-N 1 1 325.412 0.633 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000989564744 754119019 /nfs/dbraw/zinc/11/90/19/754119019.db2.gz MKVQIJZXCAGXKL-QGZVFWFLSA-N 1 1 325.412 0.633 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028639420 754138573 /nfs/dbraw/zinc/13/85/73/754138573.db2.gz XIIBMXOAYBNHPU-LLVKDONJSA-N 1 1 327.406 0.555 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)c1ncccn1 ZINC001051523620 762274389 /nfs/dbraw/zinc/27/43/89/762274389.db2.gz HUVIEMUSMGMICV-GXTWGEPZSA-N 1 1 340.387 0.868 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000982920142 754197169 /nfs/dbraw/zinc/19/71/69/754197169.db2.gz CMZPEFXTAKYBCD-HIFRSBDPSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000982920142 754197171 /nfs/dbraw/zinc/19/71/71/754197171.db2.gz CMZPEFXTAKYBCD-HIFRSBDPSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000982921224 754199827 /nfs/dbraw/zinc/19/98/27/754199827.db2.gz HFSGLNNDFMTFGL-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000982921224 754199832 /nfs/dbraw/zinc/19/98/32/754199832.db2.gz HFSGLNNDFMTFGL-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC000982923521 754210164 /nfs/dbraw/zinc/21/01/64/754210164.db2.gz PVAWQKDFENECBK-HOCLYGCPSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC000982923521 754210172 /nfs/dbraw/zinc/21/01/72/754210172.db2.gz PVAWQKDFENECBK-HOCLYGCPSA-N 1 1 343.431 0.394 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H]1C ZINC001088693138 754330872 /nfs/dbraw/zinc/33/08/72/754330872.db2.gz MRTUSLRZHMZTJA-OLZOCXBDSA-N 1 1 328.376 0.535 20 30 ECEDMO C[NH+]=C(NCC1(N(C)C)CCOCC1)N1CCO[C@H](COC)C1 ZINC000261833607 754417148 /nfs/dbraw/zinc/41/71/48/754417148.db2.gz JEZVIJBJQQQKLS-AWEZNQCLSA-N 1 1 328.457 0.020 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001009016228 754431576 /nfs/dbraw/zinc/43/15/76/754431576.db2.gz NRDUTWYHJPLEAY-HUUCEWRRSA-N 1 1 331.420 0.532 20 30 ECEDMO Cc1nsc(NC[C@@H](O)CNC(=O)C[N@H+](C)C(C)C)c1C#N ZINC001105868900 762300714 /nfs/dbraw/zinc/30/07/14/762300714.db2.gz IAHRFQSHUBLBNG-NSHDSACASA-N 1 1 325.438 0.552 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](NCc3nccn3C)C[C@@H]2C)CC1 ZINC000989828601 754497483 /nfs/dbraw/zinc/49/74/83/754497483.db2.gz GQRKBWPQZIDLCH-RDJZCZTQSA-N 1 1 343.475 0.844 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001105872889 762317449 /nfs/dbraw/zinc/31/74/49/762317449.db2.gz DQPSJVZVCFOTQZ-KBPBESRZSA-N 1 1 332.408 0.112 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001009206763 754653912 /nfs/dbraw/zinc/65/39/12/754653912.db2.gz YNZNQBFSPMEJLX-LBPRGKRZSA-N 1 1 330.392 0.578 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC000983176928 754783883 /nfs/dbraw/zinc/78/38/83/754783883.db2.gz FBRXHJDFCYKALW-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC000983176928 754783885 /nfs/dbraw/zinc/78/38/85/754783885.db2.gz FBRXHJDFCYKALW-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001009359145 754802925 /nfs/dbraw/zinc/80/29/25/754802925.db2.gz RSPIQQVDEWPJNU-ZFWWWQNUSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001009359145 754802934 /nfs/dbraw/zinc/80/29/34/754802934.db2.gz RSPIQQVDEWPJNU-ZFWWWQNUSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001009408996 754854691 /nfs/dbraw/zinc/85/46/91/754854691.db2.gz JIYYHKLDYACZGS-CABCVRRESA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001009408996 754854696 /nfs/dbraw/zinc/85/46/96/754854696.db2.gz JIYYHKLDYACZGS-CABCVRRESA-N 1 1 344.415 0.768 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001009418108 754865665 /nfs/dbraw/zinc/86/56/65/754865665.db2.gz LOJXBERDPRXDOC-CQSZACIVSA-N 1 1 326.404 0.959 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)N2CCC2)CC3)c[nH]1 ZINC000990266728 754909875 /nfs/dbraw/zinc/90/98/75/754909875.db2.gz OKFAZYTZHSGJFB-MAUKXSAKSA-N 1 1 341.415 0.845 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)ccc1F ZINC001028735717 754918232 /nfs/dbraw/zinc/91/82/32/754918232.db2.gz QQGKMUYWBLMEEZ-ZFWWWQNUSA-N 1 1 344.390 0.772 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990277448 754932615 /nfs/dbraw/zinc/93/26/15/754932615.db2.gz QBVGRPNZXQNPPB-RDJZCZTQSA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990277448 754932619 /nfs/dbraw/zinc/93/26/19/754932619.db2.gz QBVGRPNZXQNPPB-RDJZCZTQSA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001028744278 754951187 /nfs/dbraw/zinc/95/11/87/754951187.db2.gz JXSMLGIUECGANH-LLVKDONJSA-N 1 1 343.366 0.473 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001028744278 754951190 /nfs/dbraw/zinc/95/11/90/754951190.db2.gz JXSMLGIUECGANH-LLVKDONJSA-N 1 1 343.366 0.473 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001028747837 754960326 /nfs/dbraw/zinc/96/03/26/754960326.db2.gz HGPKNTUCWMXLIV-RYUDHWBXSA-N 1 1 344.253 0.954 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001028747837 754960330 /nfs/dbraw/zinc/96/03/30/754960330.db2.gz HGPKNTUCWMXLIV-RYUDHWBXSA-N 1 1 344.253 0.954 20 30 ECEDMO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1=O ZINC001028749116 754963128 /nfs/dbraw/zinc/96/31/28/754963128.db2.gz DYFRDYJWTIXXDA-DLBZAZTESA-N 1 1 340.427 0.975 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000983261302 755011104 /nfs/dbraw/zinc/01/11/04/755011104.db2.gz NWGVKWCXVPTLLU-GJZGRUSLSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000983261302 755011106 /nfs/dbraw/zinc/01/11/06/755011106.db2.gz NWGVKWCXVPTLLU-GJZGRUSLSA-N 1 1 335.448 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CSC)C1 ZINC001059109640 755052271 /nfs/dbraw/zinc/05/22/71/755052271.db2.gz GHRDPFXEUYKATH-CABCVRRESA-N 1 1 337.489 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CSC)C1 ZINC001059109640 755052272 /nfs/dbraw/zinc/05/22/72/755052272.db2.gz GHRDPFXEUYKATH-CABCVRRESA-N 1 1 337.489 0.802 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(CCn3cncn3)C2)CC1 ZINC001009631407 755094143 /nfs/dbraw/zinc/09/41/43/755094143.db2.gz YBWTWAFZPCGNBZ-QGZVFWFLSA-N 1 1 344.463 0.204 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC001105878283 762362416 /nfs/dbraw/zinc/36/24/16/762362416.db2.gz MHWGRBZKSHGPKN-MRVWCRGKSA-N 1 1 333.436 0.707 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001028807148 755188672 /nfs/dbraw/zinc/18/86/72/755188672.db2.gz CJPWYWGZKSINKF-OIISXLGYSA-N 1 1 343.402 0.737 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3ccnc3)C2)C1=O ZINC001009716482 755290465 /nfs/dbraw/zinc/29/04/65/755290465.db2.gz LNTZFXHBBZNRQM-GJZGRUSLSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3ccnc3)C2)C1=O ZINC001009716482 755290468 /nfs/dbraw/zinc/29/04/68/755290468.db2.gz LNTZFXHBBZNRQM-GJZGRUSLSA-N 1 1 331.420 0.251 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001028849842 755304339 /nfs/dbraw/zinc/30/43/39/755304339.db2.gz LYHPIOHKPYDNJZ-KBPBESRZSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N(C)C)C2)cc1 ZINC001028850327 755306784 /nfs/dbraw/zinc/30/67/84/755306784.db2.gz VPNQRNPQUIVWOV-OAHLLOKOSA-N 1 1 343.427 0.839 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001028858177 755323489 /nfs/dbraw/zinc/32/34/89/755323489.db2.gz NHIADAJMWBELTO-KGLIPLIRSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cn(C)nc1C ZINC001075964374 755490552 /nfs/dbraw/zinc/49/05/52/755490552.db2.gz TWTROIVNYACRMA-BBRMVZONSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cn(C)nc1C ZINC001075964374 755490555 /nfs/dbraw/zinc/49/05/55/755490555.db2.gz TWTROIVNYACRMA-BBRMVZONSA-N 1 1 345.447 0.451 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)nn1 ZINC001098654646 755568847 /nfs/dbraw/zinc/56/88/47/755568847.db2.gz AJSRONQQFHLJKC-DZGCQCFKSA-N 1 1 347.419 0.670 20 30 ECEDMO C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncn[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105666896 755583135 /nfs/dbraw/zinc/58/31/35/755583135.db2.gz KWYFJRKODNZPJZ-DTDBQYNISA-N 1 1 347.463 0.889 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]2O)CC[N@H+]1C ZINC001083472788 755592865 /nfs/dbraw/zinc/59/28/65/755592865.db2.gz QLFHTABRRAQQPS-PILAGYSTSA-N 1 1 342.443 0.560 20 30 ECEDMO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncn[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105667331 755614461 /nfs/dbraw/zinc/61/44/61/755614461.db2.gz QPBPUNCGVJHKQC-KJWYOANISA-N 1 1 345.447 0.337 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)cc1 ZINC001088786859 755665448 /nfs/dbraw/zinc/66/54/48/755665448.db2.gz CORQVPHXJUJTBJ-PBHICJAKSA-N 1 1 340.427 0.886 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C(F)F)[C@@H](O)C1 ZINC001083490177 755678319 /nfs/dbraw/zinc/67/83/19/755678319.db2.gz RWMUYTUYTZMXIF-YPMHNXCESA-N 1 1 326.347 0.314 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C(F)F)[C@@H](O)C1 ZINC001083490177 755678321 /nfs/dbraw/zinc/67/83/21/755678321.db2.gz RWMUYTUYTZMXIF-YPMHNXCESA-N 1 1 326.347 0.314 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001060063332 755689208 /nfs/dbraw/zinc/68/92/08/755689208.db2.gz JBADUPRZQNHUPP-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001060063332 755689210 /nfs/dbraw/zinc/68/92/10/755689210.db2.gz JBADUPRZQNHUPP-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(CC)c(CC)n[nH]c2=O)[C@@H](O)C1 ZINC001083501236 755744024 /nfs/dbraw/zinc/74/40/24/755744024.db2.gz CKCDPPZHINUOFL-KGLIPLIRSA-N 1 1 334.420 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2oc(C)cc2C)C1 ZINC000990722841 755759015 /nfs/dbraw/zinc/75/90/15/755759015.db2.gz OGQNROFFOJSFOA-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2oc(C)cc2C)C1 ZINC000990722841 755759016 /nfs/dbraw/zinc/75/90/16/755759016.db2.gz OGQNROFFOJSFOA-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cnoc3)[C@H]2C)C1=O ZINC001088811690 755787871 /nfs/dbraw/zinc/78/78/71/755787871.db2.gz QKGWYDNLDVQAEL-SNPRPXQTSA-N 1 1 332.404 0.583 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnoc3)[C@H]2C)C1=O ZINC001088811690 755787876 /nfs/dbraw/zinc/78/78/76/755787876.db2.gz QKGWYDNLDVQAEL-SNPRPXQTSA-N 1 1 332.404 0.583 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)[C@@H](O)C1 ZINC001083513387 755822966 /nfs/dbraw/zinc/82/29/66/755822966.db2.gz FSFYZAZEEAXMHS-XQQFMLRXSA-N 1 1 336.440 0.269 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C)nc3)C2)C1=O ZINC001010217615 755830015 /nfs/dbraw/zinc/83/00/15/755830015.db2.gz JEHLDEOUQHGURE-HOTGVXAUSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)nc3)C2)C1=O ZINC001010217615 755830019 /nfs/dbraw/zinc/83/00/19/755830019.db2.gz JEHLDEOUQHGURE-HOTGVXAUSA-N 1 1 328.416 0.981 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 ZINC000990761169 755844967 /nfs/dbraw/zinc/84/49/67/755844967.db2.gz IALJQGYBCLTENG-CXAGYDPISA-N 1 1 346.435 0.456 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001040330830 755894057 /nfs/dbraw/zinc/89/40/57/755894057.db2.gz FWZYGNGPNKCRKV-SFHVURJKSA-N 1 1 334.464 0.309 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)nn1 ZINC001098660264 755909091 /nfs/dbraw/zinc/90/90/91/755909091.db2.gz YXZGULBRISPLTB-TZMCWYRMSA-N 1 1 330.396 0.180 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccccc3O)C2)C1=O ZINC001010266886 755909518 /nfs/dbraw/zinc/90/95/18/755909518.db2.gz HOSXDQBLANTEHV-DZGCQCFKSA-N 1 1 329.400 0.983 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccccc3O)C2)C1=O ZINC001010266886 755909523 /nfs/dbraw/zinc/90/95/23/755909523.db2.gz HOSXDQBLANTEHV-DZGCQCFKSA-N 1 1 329.400 0.983 20 30 ECEDMO CN(C)c1noc(C[NH2+]C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC000990791253 755912682 /nfs/dbraw/zinc/91/26/82/755912682.db2.gz ZYTIFCIYDRJRIN-UHFFFAOYSA-N 1 1 343.391 0.730 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088828944 755962456 /nfs/dbraw/zinc/96/24/56/755962456.db2.gz YWUMAKUWOHYWFT-ONERCXAPSA-N 1 1 345.378 0.458 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088828944 755962458 /nfs/dbraw/zinc/96/24/58/755962458.db2.gz YWUMAKUWOHYWFT-ONERCXAPSA-N 1 1 345.378 0.458 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn3c2ccc(C)c3C)[C@@H](O)C1 ZINC001083538722 755987930 /nfs/dbraw/zinc/98/79/30/755987930.db2.gz NHOGIJSLQAAWEW-WBVHZDCISA-N 1 1 326.400 0.749 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2ccc(C)c3C)[C@@H](O)C1 ZINC001083538722 755987934 /nfs/dbraw/zinc/98/79/34/755987934.db2.gz NHOGIJSLQAAWEW-WBVHZDCISA-N 1 1 326.400 0.749 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCNC4=O)[C@@H]3C2)c1 ZINC001076124667 756113731 /nfs/dbraw/zinc/11/37/31/756113731.db2.gz LWYQYFLUVYHXGU-YESZJQIVSA-N 1 1 338.411 0.727 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCNC4=O)[C@@H]3C2)cc1 ZINC001076125892 756115682 /nfs/dbraw/zinc/11/56/82/756115682.db2.gz DFDPETODKARWBM-YESZJQIVSA-N 1 1 338.411 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccn(C)c1 ZINC001076153316 756154872 /nfs/dbraw/zinc/15/48/72/756154872.db2.gz WZWQBBANDCEOAZ-HOCLYGCPSA-N 1 1 330.432 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccn(C)c1 ZINC001076153316 756154875 /nfs/dbraw/zinc/15/48/75/756154875.db2.gz WZWQBBANDCEOAZ-HOCLYGCPSA-N 1 1 330.432 0.747 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010467876 756159927 /nfs/dbraw/zinc/15/99/27/756159927.db2.gz DPZSSVPJHFVRTQ-DZGCQCFKSA-N 1 1 327.388 0.477 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010467876 756159928 /nfs/dbraw/zinc/15/99/28/756159928.db2.gz DPZSSVPJHFVRTQ-DZGCQCFKSA-N 1 1 327.388 0.477 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C)ncn1 ZINC001076174782 756174195 /nfs/dbraw/zinc/17/41/95/756174195.db2.gz BEUGRWCNVMLPJU-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C)ncn1 ZINC001076174782 756174199 /nfs/dbraw/zinc/17/41/99/756174199.db2.gz BEUGRWCNVMLPJU-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)ccc1F ZINC001010501042 756188659 /nfs/dbraw/zinc/18/86/59/756188659.db2.gz ZSHCRDYYWURJSM-ZFWWWQNUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)ccc1F ZINC001010501042 756188661 /nfs/dbraw/zinc/18/86/61/756188661.db2.gz ZSHCRDYYWURJSM-ZFWWWQNUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)c1 ZINC001076249939 756269172 /nfs/dbraw/zinc/26/91/72/756269172.db2.gz JWCGLQVQBOKTJJ-VVLHAWIVSA-N 1 1 338.411 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC(F)(F)F)CC1 ZINC001010594458 756289800 /nfs/dbraw/zinc/28/98/00/756289800.db2.gz LTPPEWNDMVNSPB-LBPRGKRZSA-N 1 1 331.338 0.707 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC(F)(F)F)CC1 ZINC001010594458 756289806 /nfs/dbraw/zinc/28/98/06/756289806.db2.gz LTPPEWNDMVNSPB-LBPRGKRZSA-N 1 1 331.338 0.707 20 30 ECEDMO Cn1nc(C2CC2)nc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051609423 762458433 /nfs/dbraw/zinc/45/84/33/762458433.db2.gz SHHXLYVLSDKKPQ-OAHLLOKOSA-N 1 1 343.431 0.423 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)[nH]1 ZINC001010659860 756361930 /nfs/dbraw/zinc/36/19/30/756361930.db2.gz XJHLENVISGOIPB-CZUORRHYSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)[nH]1 ZINC001010659860 756361937 /nfs/dbraw/zinc/36/19/37/756361937.db2.gz XJHLENVISGOIPB-CZUORRHYSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c[nH]1 ZINC001010694126 756407347 /nfs/dbraw/zinc/40/73/47/756407347.db2.gz BJGICIBNVPQOES-JSGCOSHPSA-N 1 1 329.404 0.607 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001076410297 756480727 /nfs/dbraw/zinc/48/07/27/756480727.db2.gz HVFCPZMEIWTBBA-HOTGVXAUSA-N 1 1 347.463 0.484 20 30 ECEDMO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001076424517 756495879 /nfs/dbraw/zinc/49/58/79/756495879.db2.gz YHBYRLCANQMLST-NOFHKNGASA-N 1 1 345.443 0.274 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCC3(CN(C(=O)[C@H](C)C#N)C3)C2)C1 ZINC001010838726 756586593 /nfs/dbraw/zinc/58/65/93/756586593.db2.gz VRSDEBDJCRWWJW-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCC3(CN(C(=O)[C@H](C)C#N)C3)C2)C1 ZINC001010838726 756586596 /nfs/dbraw/zinc/58/65/96/756586596.db2.gz VRSDEBDJCRWWJW-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001076506301 756590357 /nfs/dbraw/zinc/59/03/57/756590357.db2.gz QQBPTICNZYUBON-AWEZNQCLSA-N 1 1 325.453 0.768 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1c1cnc(C#N)cn1 ZINC001060123908 756616962 /nfs/dbraw/zinc/61/69/62/756616962.db2.gz PXVKQDMYTHVENR-GJZGRUSLSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)nn1 ZINC001076575622 756663993 /nfs/dbraw/zinc/66/39/93/756663993.db2.gz AEHBTEOEERNHLN-KGLIPLIRSA-N 1 1 348.451 0.431 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ncn(-c3ccccc3)n2)[C@@H](O)C1 ZINC001083552411 756831974 /nfs/dbraw/zinc/83/19/74/756831974.db2.gz DSPRNGZCGOKBAF-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000990936161 756916243 /nfs/dbraw/zinc/91/62/43/756916243.db2.gz STBGUZXQDHFWJX-CYBMUJFWSA-N 1 1 343.431 0.805 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cn1 ZINC001076729497 756927953 /nfs/dbraw/zinc/92/79/53/756927953.db2.gz ZNHQBJFNJAFOGD-HZPDHXFCSA-N 1 1 325.372 0.267 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cn1 ZINC001076729497 756927957 /nfs/dbraw/zinc/92/79/57/756927957.db2.gz ZNHQBJFNJAFOGD-HZPDHXFCSA-N 1 1 325.372 0.267 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)cc1 ZINC001076763630 757013167 /nfs/dbraw/zinc/01/31/67/757013167.db2.gz ZKKNBXBDBLXGEO-HZPDHXFCSA-N 1 1 341.371 0.287 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)cc1 ZINC001076763630 757013178 /nfs/dbraw/zinc/01/31/78/757013178.db2.gz ZKKNBXBDBLXGEO-HZPDHXFCSA-N 1 1 341.371 0.287 20 30 ECEDMO C=CCCCCC[NH+]1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 ZINC001107153250 757116411 /nfs/dbraw/zinc/11/64/11/757116411.db2.gz ZNNJPHHVFQLLIW-UHFFFAOYSA-N 1 1 334.424 0.373 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001048827022 757122474 /nfs/dbraw/zinc/12/24/74/757122474.db2.gz RVVVSGOSEPAXPN-WTTBNOFXSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001048844186 757157564 /nfs/dbraw/zinc/15/75/64/757157564.db2.gz FNTBECDMFNDEGD-IKGGRYGDSA-N 1 1 349.475 0.693 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001048844355 757157925 /nfs/dbraw/zinc/15/79/25/757157925.db2.gz IPTKHWBNBVFGQS-ULQDDVLXSA-N 1 1 349.475 0.549 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@](C)(O)C3CC3)nn2)C1 ZINC001107161060 757185978 /nfs/dbraw/zinc/18/59/78/757185978.db2.gz WDWKJIZQFJAOJE-KRWDZBQOSA-N 1 1 333.436 0.878 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCc1cn(C2C[NH+](C[C@@H](C)OC)C2)nn1 ZINC001107163807 757197117 /nfs/dbraw/zinc/19/71/17/757197117.db2.gz BQUVCJJUQTZCBV-MLGOLLRUSA-N 1 1 337.424 0.113 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CC[C@@H](C)F)C2)nn1 ZINC001107169353 757205107 /nfs/dbraw/zinc/20/51/07/757205107.db2.gz DICBKXISEPGWMD-OLZOCXBDSA-N 1 1 337.399 0.537 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3conc3C)C[C@@H]2C1 ZINC001048868801 757234277 /nfs/dbraw/zinc/23/42/77/757234277.db2.gz OBHILGAQRMFWET-JZXOWHBKSA-N 1 1 342.443 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@]3(C4CCCC4)CCNC3=O)C[C@H]2C1 ZINC001048872252 757246073 /nfs/dbraw/zinc/24/60/73/757246073.db2.gz AAXHZVNXTNODFP-ZRGWGRIASA-N 1 1 329.444 0.706 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3sccc3-n3ccnn3)C[C@H]2C1 ZINC001048883702 757289790 /nfs/dbraw/zinc/28/97/90/757289790.db2.gz QNVHJRQEVHPPOZ-BETUJISGSA-N 1 1 327.413 0.966 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@H]12 ZINC000990998613 757306250 /nfs/dbraw/zinc/30/62/50/757306250.db2.gz PFCLHOVYNYLAEH-GOEBONIOSA-N 1 1 341.477 0.711 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001068464700 790324089 /nfs/dbraw/zinc/32/40/89/790324089.db2.gz XNVWEOLAQIZPDW-BPUTZDHNSA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001068464700 790324100 /nfs/dbraw/zinc/32/41/00/790324100.db2.gz XNVWEOLAQIZPDW-BPUTZDHNSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@H]2C1 ZINC001048892110 757314886 /nfs/dbraw/zinc/31/48/86/757314886.db2.gz RCQYWYXSOXURQT-GASCZTMLSA-N 1 1 338.473 0.778 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C[C@H]2C1 ZINC001048898708 757338057 /nfs/dbraw/zinc/33/80/57/757338057.db2.gz JVZPXEGPPJBELC-MCIONIFRSA-N 1 1 331.420 0.512 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@H]2C1 ZINC001048913014 757383165 /nfs/dbraw/zinc/38/31/65/757383165.db2.gz UNFAWCKQAQCNQR-OKILXGFUSA-N 1 1 340.387 0.347 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000996331658 757395042 /nfs/dbraw/zinc/39/50/42/757395042.db2.gz SDPFVUSBVJYRIL-HZSPNIEDSA-N 1 1 333.436 0.733 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)CCc3c(C)nc[nH]c3=O)C[C@H]2C1 ZINC001048916167 757398571 /nfs/dbraw/zinc/39/85/71/757398571.db2.gz QKUVZBONTJXBNS-GASCZTMLSA-N 1 1 328.416 0.837 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]2C1 ZINC001048922348 757421767 /nfs/dbraw/zinc/42/17/67/757421767.db2.gz LQKIAERYMLZAHA-GASCZTMLSA-N 1 1 330.432 0.398 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]2C1 ZINC001048922348 757421773 /nfs/dbraw/zinc/42/17/73/757421773.db2.gz LQKIAERYMLZAHA-GASCZTMLSA-N 1 1 330.432 0.398 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)cn1 ZINC001021440376 757448073 /nfs/dbraw/zinc/44/80/73/757448073.db2.gz ILZYCSQPJUCDOB-HMQMGEFJSA-N 1 1 338.411 0.677 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCCCS3(=O)=O)C[C@H]2C1 ZINC001048939258 757469245 /nfs/dbraw/zinc/46/92/45/757469245.db2.gz MKQXGUVRHHBELZ-GASCZTMLSA-N 1 1 341.477 0.378 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncccc2F)CC1 ZINC001011314265 757488175 /nfs/dbraw/zinc/48/81/75/757488175.db2.gz QNGTZSBMOLCNTF-HNNXBMFYSA-N 1 1 344.390 0.603 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncccc2F)CC1 ZINC001011314265 757488179 /nfs/dbraw/zinc/48/81/79/757488179.db2.gz QNGTZSBMOLCNTF-HNNXBMFYSA-N 1 1 344.390 0.603 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 ZINC001011315095 757491896 /nfs/dbraw/zinc/49/18/96/757491896.db2.gz ZEEZIQVVXWJDGL-IKGGRYGDSA-N 1 1 345.443 0.346 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 ZINC001011315095 757491900 /nfs/dbraw/zinc/49/19/00/757491900.db2.gz ZEEZIQVVXWJDGL-IKGGRYGDSA-N 1 1 345.443 0.346 20 30 ECEDMO Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898341 757516309 /nfs/dbraw/zinc/51/63/09/757516309.db2.gz DQKQHSBRVJGKDQ-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898341 757516320 /nfs/dbraw/zinc/51/63/20/757516320.db2.gz DQKQHSBRVJGKDQ-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4C#N)C[C@@H]3C2)n1 ZINC001048991056 757624287 /nfs/dbraw/zinc/62/42/87/757624287.db2.gz IBJLNZSRGLBYMH-GASCZTMLSA-N 1 1 337.387 0.286 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)C[N@H+]3CC[C@H](C)C3)nn2)C1 ZINC001107210827 757697319 /nfs/dbraw/zinc/69/73/19/757697319.db2.gz FFGJSPOMYRJGKN-AWEZNQCLSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cnc(C)o1 ZINC001076948579 757702682 /nfs/dbraw/zinc/70/26/82/757702682.db2.gz RQVKXJOHJDQMDZ-BBRMVZONSA-N 1 1 346.431 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cnc(C)o1 ZINC001076948579 757702686 /nfs/dbraw/zinc/70/26/86/757702686.db2.gz RQVKXJOHJDQMDZ-BBRMVZONSA-N 1 1 346.431 0.634 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCCNC2=O)C1 ZINC001021625071 757704920 /nfs/dbraw/zinc/70/49/20/757704920.db2.gz NKMAZVBQGNRANS-JKSUJKDBSA-N 1 1 332.448 0.738 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCN2C(=O)CCC2=O)C1 ZINC001021626029 757706585 /nfs/dbraw/zinc/70/65/85/757706585.db2.gz CHRCXVDDZARNLX-HUUCEWRRSA-N 1 1 331.416 0.472 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001049023617 757724227 /nfs/dbraw/zinc/72/42/27/757724227.db2.gz GXDYCYZQYOTHEM-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]2C1 ZINC001049026435 757729870 /nfs/dbraw/zinc/72/98/70/757729870.db2.gz PSRLBGHTUFMEGR-AHIWAGSCSA-N 1 1 333.436 0.601 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]2C1 ZINC001049026435 757729874 /nfs/dbraw/zinc/72/98/74/757729874.db2.gz PSRLBGHTUFMEGR-AHIWAGSCSA-N 1 1 333.436 0.601 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021661689 757753016 /nfs/dbraw/zinc/75/30/16/757753016.db2.gz RAMVCWPQQXUJHY-CZUORRHYSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021661689 757753025 /nfs/dbraw/zinc/75/30/25/757753025.db2.gz RAMVCWPQQXUJHY-CZUORRHYSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)s1 ZINC001021661717 757753635 /nfs/dbraw/zinc/75/36/35/757753635.db2.gz RHTYXIADANVJGS-SMDDNHRTSA-N 1 1 332.429 0.918 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC)NC(C)=O)nn2)C1 ZINC001107213456 757774829 /nfs/dbraw/zinc/77/48/29/757774829.db2.gz BNVKEZYXKFHGNW-OAHLLOKOSA-N 1 1 334.424 0.242 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(=O)NC)CC[C@@H]32)nn1 ZINC001021686523 757780689 /nfs/dbraw/zinc/78/06/89/757780689.db2.gz YXNSFSLHHLWBJN-HIFRSBDPSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]3C[N@@H+](CCCO)CC[C@H]32)nn1 ZINC001021685987 757780719 /nfs/dbraw/zinc/78/07/19/757780719.db2.gz WCPCDLCUFQTRBW-GDBMZVCRSA-N 1 1 333.436 0.773 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001021730369 757874484 /nfs/dbraw/zinc/87/44/84/757874484.db2.gz MXZMLQQGTUBYSH-HZPDHXFCSA-N 1 1 332.448 0.723 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001077000979 757883520 /nfs/dbraw/zinc/88/35/20/757883520.db2.gz ZNCCVNYVPDIOBJ-BNOWGMLFSA-N 1 1 335.429 0.793 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001077000979 757883527 /nfs/dbraw/zinc/88/35/27/757883527.db2.gz ZNCCVNYVPDIOBJ-BNOWGMLFSA-N 1 1 335.429 0.793 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@H]2C1 ZINC001049112839 757995279 /nfs/dbraw/zinc/99/52/79/757995279.db2.gz DOHCUYMZSPJUTL-TXEJJXNPSA-N 1 1 342.428 0.955 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)CC[N@H+]1C ZINC001077023624 757996578 /nfs/dbraw/zinc/99/65/78/757996578.db2.gz KUNJCPBPEPBWCR-NXWXRZEISA-N 1 1 341.455 0.540 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccccn3)CCC[C@@H]12 ZINC001107252607 758046604 /nfs/dbraw/zinc/04/66/04/758046604.db2.gz LVBPTBTYWOMIKV-CRAIPNDOSA-N 1 1 341.415 0.696 20 30 ECEDMO N#Cc1ccc(NC/C=C/CNC(=O)CC[NH+]2CCOCC2)nn1 ZINC001107253734 758051523 /nfs/dbraw/zinc/05/15/23/758051523.db2.gz JFMZWOCHQASHIX-OWOJBTEDSA-N 1 1 330.392 0.155 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001011578991 758053074 /nfs/dbraw/zinc/05/30/74/758053074.db2.gz AVRPZMCEJGDAIB-CYBMUJFWSA-N 1 1 329.404 0.592 20 30 ECEDMO N#Cc1nccnc1NC/C=C\CNC(=O)CC[NH+]1CCOCC1 ZINC001107254693 758054139 /nfs/dbraw/zinc/05/41/39/758054139.db2.gz ZBCWKUGVYUEWAW-UPHRSURJSA-N 1 1 330.392 0.155 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049140064 758105881 /nfs/dbraw/zinc/10/58/81/758105881.db2.gz HQLZSYBHAKGGGI-HRCADAONSA-N 1 1 343.431 0.342 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001049162357 758181289 /nfs/dbraw/zinc/18/12/89/758181289.db2.gz QOHCOSGICYXTHV-MCIONIFRSA-N 1 1 344.415 0.524 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCOC1 ZINC001077124116 758238197 /nfs/dbraw/zinc/23/81/97/758238197.db2.gz MSBMTJVKUXDBKV-XHSDSOJGSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCOC1 ZINC001077124116 758238205 /nfs/dbraw/zinc/23/82/05/758238205.db2.gz MSBMTJVKUXDBKV-XHSDSOJGSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CO[C@@H](C)CC ZINC001077124111 758239135 /nfs/dbraw/zinc/23/91/35/758239135.db2.gz MRSGCWIDJWXCFQ-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CO[C@@H](C)CC ZINC001077124111 758239143 /nfs/dbraw/zinc/23/91/43/758239143.db2.gz MRSGCWIDJWXCFQ-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1O ZINC001049180883 758241888 /nfs/dbraw/zinc/24/18/88/758241888.db2.gz RAYBWVNLRRFZBH-KBPBESRZSA-N 1 1 339.480 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ccoc1 ZINC001077124072 758256343 /nfs/dbraw/zinc/25/63/43/758256343.db2.gz LYCWYRBHZNKOEI-HOCLYGCPSA-N 1 1 331.416 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ccoc1 ZINC001077124072 758256350 /nfs/dbraw/zinc/25/63/50/758256350.db2.gz LYCWYRBHZNKOEI-HOCLYGCPSA-N 1 1 331.416 0.931 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@H]2C1 ZINC001049197889 758281268 /nfs/dbraw/zinc/28/12/68/758281268.db2.gz WFOCUFNXDDAWFQ-QLFBSQMISA-N 1 1 341.839 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccn(C)c1 ZINC001077124414 758285105 /nfs/dbraw/zinc/28/51/05/758285105.db2.gz VGMMVUQWRIMPBP-HOCLYGCPSA-N 1 1 330.432 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccn(C)c1 ZINC001077124414 758285116 /nfs/dbraw/zinc/28/51/16/758285116.db2.gz VGMMVUQWRIMPBP-HOCLYGCPSA-N 1 1 330.432 0.747 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1[nH]cnc1CC ZINC001077124875 758287097 /nfs/dbraw/zinc/28/70/97/758287097.db2.gz HKRWJAGDILQMFN-ZFWWWQNUSA-N 1 1 345.447 0.694 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1[nH]cnc1CC ZINC001077124875 758287102 /nfs/dbraw/zinc/28/71/02/758287102.db2.gz HKRWJAGDILQMFN-ZFWWWQNUSA-N 1 1 345.447 0.694 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)COCCC=C ZINC001077125444 758289978 /nfs/dbraw/zinc/28/99/78/758289978.db2.gz VFOVUXHCINIKQM-HOTGVXAUSA-N 1 1 335.448 0.688 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)COCCC=C ZINC001077125444 758289988 /nfs/dbraw/zinc/28/99/88/758289988.db2.gz VFOVUXHCINIKQM-HOTGVXAUSA-N 1 1 335.448 0.688 20 30 ECEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCNS(C)(=O)=O)CC2 ZINC001107326581 758291779 /nfs/dbraw/zinc/29/17/79/758291779.db2.gz ARHCPOCZFZQFFN-GDBMZVCRSA-N 1 1 343.493 0.863 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3cncc(C(N)=O)c3)C[C@H]2C1 ZINC001049219033 758357724 /nfs/dbraw/zinc/35/77/24/758357724.db2.gz CKMZNUMUZRGLRP-OKILXGFUSA-N 1 1 334.807 0.937 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4ccc[nH]4)C[C@H]3C2)C1=O ZINC001049225845 758379055 /nfs/dbraw/zinc/37/90/55/758379055.db2.gz WBXPACYHWMAOQB-UXLLHSPISA-N 1 1 342.443 0.734 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3COC(=O)C3)CCC[C@@H]12 ZINC001107360397 758390052 /nfs/dbraw/zinc/39/00/52/758390052.db2.gz JVVGNZWBSGOBKI-GPMSIDNRSA-N 1 1 348.443 0.950 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001077165471 758397091 /nfs/dbraw/zinc/39/70/91/758397091.db2.gz QBACCJLFGMXKFS-RKVPGOIHSA-N 1 1 335.448 0.420 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H](CC)OC)CC2 ZINC001107374480 758400179 /nfs/dbraw/zinc/40/01/79/758400179.db2.gz UKZDBNLSHLVCHF-GPMSIDNRSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H]1CCOC1)CC2 ZINC001107374573 758401823 /nfs/dbraw/zinc/40/18/23/758401823.db2.gz XGJRIABMJITMQH-GPMSIDNRSA-N 1 1 347.459 0.523 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(OC)ccc2OC)C1 ZINC001077171449 758423686 /nfs/dbraw/zinc/42/36/86/758423686.db2.gz BVFPMGYLUNDBCI-HZPDHXFCSA-N 1 1 332.400 0.431 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(OC)ccc2OC)C1 ZINC001077171449 758423690 /nfs/dbraw/zinc/42/36/90/758423690.db2.gz BVFPMGYLUNDBCI-HZPDHXFCSA-N 1 1 332.400 0.431 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107382118 758426410 /nfs/dbraw/zinc/42/64/10/758426410.db2.gz ZAWRVIDWUZWAIS-KBAYOESNSA-N 1 1 340.464 0.683 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001077193553 758474567 /nfs/dbraw/zinc/47/45/67/758474567.db2.gz IAGQLJJSQDBUQA-GHMZBOCLSA-N 1 1 330.310 0.846 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001077193553 758474570 /nfs/dbraw/zinc/47/45/70/758474570.db2.gz IAGQLJJSQDBUQA-GHMZBOCLSA-N 1 1 330.310 0.846 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001077226158 758560514 /nfs/dbraw/zinc/56/05/14/758560514.db2.gz BTSMBTYNDALHMJ-GDBMZVCRSA-N 1 1 329.400 0.313 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001077226158 758560517 /nfs/dbraw/zinc/56/05/17/758560517.db2.gz BTSMBTYNDALHMJ-GDBMZVCRSA-N 1 1 329.400 0.313 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)COCc3ccnn3C)CCC[C@@H]12 ZINC001107448717 758586954 /nfs/dbraw/zinc/58/69/54/758586954.db2.gz PJINWZILZFPSRX-SJLPKXTDSA-N 1 1 330.432 0.931 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)C1 ZINC001077266974 758644358 /nfs/dbraw/zinc/64/43/58/758644358.db2.gz SPFMGYGKMWTSLL-VXGBXAGGSA-N 1 1 333.413 0.941 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)C1 ZINC001077266974 758644363 /nfs/dbraw/zinc/64/43/63/758644363.db2.gz SPFMGYGKMWTSLL-VXGBXAGGSA-N 1 1 333.413 0.941 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099565985 758772618 /nfs/dbraw/zinc/77/26/18/758772618.db2.gz LKAUPBTVZUJXBT-CVEARBPZSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099565985 758772629 /nfs/dbraw/zinc/77/26/29/758772629.db2.gz LKAUPBTVZUJXBT-CVEARBPZSA-N 1 1 349.475 0.768 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001049483305 758794377 /nfs/dbraw/zinc/79/43/77/758794377.db2.gz VAGSLCCVDYESMA-OLZOCXBDSA-N 1 1 332.408 0.018 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001049506386 758819897 /nfs/dbraw/zinc/81/98/97/758819897.db2.gz XEBOWJHHBYEHSA-OWCLPIDISA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049507208 758823172 /nfs/dbraw/zinc/82/31/72/758823172.db2.gz DVDGFGOLZNUHIV-HUUCEWRRSA-N 1 1 339.461 0.111 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)n(C)c1=O ZINC001049507715 758824820 /nfs/dbraw/zinc/82/48/20/758824820.db2.gz LWWSTDODAWGCSV-HUUCEWRRSA-N 1 1 346.431 0.188 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001077335409 758841628 /nfs/dbraw/zinc/84/16/28/758841628.db2.gz PORLLOXQOUTSIA-IIAWOOMASA-N 1 1 334.803 0.828 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H](O)CNc2cc(CC)[nH+]c(C)n2)cn1 ZINC001105909316 762663614 /nfs/dbraw/zinc/66/36/14/762663614.db2.gz GYFFIYZLIPGVII-INIZCTEOSA-N 1 1 339.399 0.927 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC001011902637 758909942 /nfs/dbraw/zinc/90/99/42/758909942.db2.gz GJPHDZHUGYIIGZ-TZMCWYRMSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001011906246 758916418 /nfs/dbraw/zinc/91/64/18/758916418.db2.gz ZJZIZNKUYDFTBL-IUODEOHRSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nc(OC)cc(OC)n1 ZINC001049557917 758920071 /nfs/dbraw/zinc/92/00/71/758920071.db2.gz LMUGILKTUWMEOZ-STQMWFEESA-N 1 1 330.388 0.806 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 ZINC001049559193 758921776 /nfs/dbraw/zinc/92/17/76/758921776.db2.gz VVEGGTUBCXHGTN-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O ZINC001049561564 758924742 /nfs/dbraw/zinc/92/47/42/758924742.db2.gz NAKXBKUYURGSLB-QWHCGFSZSA-N 1 1 339.827 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O ZINC001049561564 758924748 /nfs/dbraw/zinc/92/47/48/758924748.db2.gz NAKXBKUYURGSLB-QWHCGFSZSA-N 1 1 339.827 0.400 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O ZINC001049561563 758925603 /nfs/dbraw/zinc/92/56/03/758925603.db2.gz NAKXBKUYURGSLB-OLZOCXBDSA-N 1 1 339.827 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O ZINC001049561563 758925607 /nfs/dbraw/zinc/92/56/07/758925607.db2.gz NAKXBKUYURGSLB-OLZOCXBDSA-N 1 1 339.827 0.400 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001049566466 758931266 /nfs/dbraw/zinc/93/12/66/758931266.db2.gz CTPVJZMZWKPOPM-NEPJUHHUSA-N 1 1 339.417 0.792 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001049566469 758931532 /nfs/dbraw/zinc/93/15/32/758931532.db2.gz CTPVJZMZWKPOPM-VXGBXAGGSA-N 1 1 339.417 0.792 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001049583496 758961171 /nfs/dbraw/zinc/96/11/71/758961171.db2.gz WFVBWHGBMRZKGT-ARFHVFGLSA-N 1 1 338.473 0.900 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@@H](C)CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001077391971 758978666 /nfs/dbraw/zinc/97/86/66/758978666.db2.gz HHRAUMUABFTUQQ-GJZGRUSLSA-N 1 1 338.452 0.660 20 30 ECEDMO C[C@@H](CCNC(=O)CCCC[NH+]1CCOCC1)NC(=O)C#CC1CC1 ZINC001077392293 758978970 /nfs/dbraw/zinc/97/89/70/758978970.db2.gz VHGOVPIWAOPBNL-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049608622 758988118 /nfs/dbraw/zinc/98/81/18/758988118.db2.gz QYLDSQKHFUZSOP-HRCADAONSA-N 1 1 341.415 0.454 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nc2ccccn2c1=O ZINC001049624906 759008865 /nfs/dbraw/zinc/00/88/65/759008865.db2.gz JSCDGECDJFZOEY-HUUCEWRRSA-N 1 1 339.399 0.195 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cncn2)nc1 ZINC001049629883 759017283 /nfs/dbraw/zinc/01/72/83/759017283.db2.gz MWHBLASDYBFQPN-HOTGVXAUSA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001077412224 759026453 /nfs/dbraw/zinc/02/64/53/759026453.db2.gz QFUHGLKJOVAAQA-RRFJBIMHSA-N 1 1 333.436 0.358 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)[C@@H](O)C1 ZINC001083582553 759085721 /nfs/dbraw/zinc/08/57/21/759085721.db2.gz UGHOTMOIXNSPSD-CVEARBPZSA-N 1 1 327.388 0.823 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)[C@@H](O)C1 ZINC001083582553 759085730 /nfs/dbraw/zinc/08/57/30/759085730.db2.gz UGHOTMOIXNSPSD-CVEARBPZSA-N 1 1 327.388 0.823 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)c1 ZINC001049692927 759107367 /nfs/dbraw/zinc/10/73/67/759107367.db2.gz VKZXDOWJRKKAPF-CABCVRRESA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)c1 ZINC001049692927 759107372 /nfs/dbraw/zinc/10/73/72/759107372.db2.gz VKZXDOWJRKKAPF-CABCVRRESA-N 1 1 330.363 0.748 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCn1cncn1 ZINC001049733218 759145767 /nfs/dbraw/zinc/14/57/67/759145767.db2.gz VVKHPPQKPLPDLK-VQHPVUNQSA-N 1 1 345.447 0.935 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(N)=O)cc1 ZINC001049770080 759183837 /nfs/dbraw/zinc/18/38/37/759183837.db2.gz NZFGFGGQRCCVGH-IAGOWNOFSA-N 1 1 341.411 0.863 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(N)=O)cc1 ZINC001049770080 759183843 /nfs/dbraw/zinc/18/38/43/759183843.db2.gz NZFGFGGQRCCVGH-IAGOWNOFSA-N 1 1 341.411 0.863 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049779173 759194379 /nfs/dbraw/zinc/19/43/79/759194379.db2.gz SJIZEQCMQBXKIF-XPFWZQFZSA-N 1 1 332.404 0.226 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001077426058 759231848 /nfs/dbraw/zinc/23/18/48/759231848.db2.gz UQPVUFIMARUCMQ-CHWSQXEVSA-N 1 1 329.404 0.871 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3cc(C)sc3n2)[C@@H](O)C1 ZINC001083602852 759246471 /nfs/dbraw/zinc/24/64/71/759246471.db2.gz QGVWEJDTFZJFDE-KGLIPLIRSA-N 1 1 334.445 0.984 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001049830337 759265653 /nfs/dbraw/zinc/26/56/53/759265653.db2.gz FPLDLOAVQBRVMX-DJIMGWMZSA-N 1 1 343.431 0.942 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2c(OC)cccc2OC)[C@@H](O)C1 ZINC001083609684 759285385 /nfs/dbraw/zinc/28/53/85/759285385.db2.gz JBIZAAWAPMSIRS-CABCVRRESA-N 1 1 332.400 0.431 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049842739 759288281 /nfs/dbraw/zinc/28/82/81/759288281.db2.gz XUQSEVLNOVRCTM-MNOVXSKESA-N 1 1 334.376 0.761 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049849700 759299171 /nfs/dbraw/zinc/29/91/71/759299171.db2.gz PPWJHFYCOLGKQR-CHWSQXEVSA-N 1 1 328.376 0.283 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049872294 759326330 /nfs/dbraw/zinc/32/63/30/759326330.db2.gz QYLSUWMWYSGXJE-KBPBESRZSA-N 1 1 348.447 0.958 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC000991100006 759326896 /nfs/dbraw/zinc/32/68/96/759326896.db2.gz LOPAKFYPSBYVSS-AHIWAGSCSA-N 1 1 334.420 0.664 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O ZINC001049886664 759349472 /nfs/dbraw/zinc/34/94/72/759349472.db2.gz SVKLAJMESHAISH-KBPBESRZSA-N 1 1 334.420 0.522 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049888245 759353848 /nfs/dbraw/zinc/35/38/48/759353848.db2.gz ZZNYZFYYILTXFU-STQMWFEESA-N 1 1 327.388 0.278 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049888239 759354645 /nfs/dbraw/zinc/35/46/45/759354645.db2.gz ZZNYZFYYILTXFU-CHWSQXEVSA-N 1 1 327.388 0.278 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001047633924 759358385 /nfs/dbraw/zinc/35/83/85/759358385.db2.gz RVZLFDBJHHBOJM-HRCADAONSA-N 1 1 325.453 0.177 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001047636953 759368212 /nfs/dbraw/zinc/36/82/12/759368212.db2.gz RVXMOMDTKXJPNZ-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c(C)noc3CC)C2)C1=O ZINC001032179074 759368447 /nfs/dbraw/zinc/36/84/47/759368447.db2.gz HOEZYESYYWRXMQ-AWEZNQCLSA-N 1 1 346.431 0.994 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001047637484 759370509 /nfs/dbraw/zinc/37/05/09/759370509.db2.gz YXXFAYRYPYDVIV-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001047637484 759370521 /nfs/dbraw/zinc/37/05/21/759370521.db2.gz YXXFAYRYPYDVIV-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@H+](C[C@@H](C)CC)C[C@@H]2O)CC1 ZINC001047638118 759372444 /nfs/dbraw/zinc/37/24/44/759372444.db2.gz CETSPCMZYNRBGD-SZMVWBNQSA-N 1 1 335.492 0.881 20 30 ECEDMO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)CC)C[C@@H]2O)CC1 ZINC001047638118 759372456 /nfs/dbraw/zinc/37/24/56/759372456.db2.gz CETSPCMZYNRBGD-SZMVWBNQSA-N 1 1 335.492 0.881 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cncc(C(N)=O)c1 ZINC001049901527 759381727 /nfs/dbraw/zinc/38/17/27/759381727.db2.gz ZCCFZJVYAKNQHD-HOTGVXAUSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001054241902 767854975 /nfs/dbraw/zinc/85/49/75/767854975.db2.gz ADTXGZKEDRZWRR-AEFFLSMTSA-N 1 1 333.432 0.181 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001049910295 759394022 /nfs/dbraw/zinc/39/40/22/759394022.db2.gz ISVCPUZGECLUOR-GJZGRUSLSA-N 1 1 342.447 0.905 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001054242976 767858555 /nfs/dbraw/zinc/85/85/55/767858555.db2.gz UXIHSHQZSPNHBN-UKRRQHHQSA-N 1 1 327.450 0.179 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc3sccn3c2=O)[C@@H](O)C1 ZINC001083617781 759437812 /nfs/dbraw/zinc/43/78/12/759437812.db2.gz BUKDYDWHHKKOEX-NEPJUHHUSA-N 1 1 334.401 0.107 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@@H](C)OC)[C@@H]3C2)C1=O ZINC001049988637 759502338 /nfs/dbraw/zinc/50/23/38/759502338.db2.gz VLYCLYUGZRHCCP-FXUDXRNXSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC001127026876 759574011 /nfs/dbraw/zinc/57/40/11/759574011.db2.gz AJUWZOCJDUNYOI-UHFFFAOYSA-N 1 1 328.372 0.982 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC001127026930 759575189 /nfs/dbraw/zinc/57/51/89/759575189.db2.gz BFGOVTGTXCHRNO-UHFFFAOYSA-N 1 1 347.444 0.789 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001050046749 759611234 /nfs/dbraw/zinc/61/12/34/759611234.db2.gz IMCMNSZSGDHVPV-OFQRWUPVSA-N 1 1 343.431 0.871 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2CN(CCOC3CCC3)C2)CC1 ZINC001032207496 759644782 /nfs/dbraw/zinc/64/47/82/759644782.db2.gz UFVWKHLDAXIRRH-UHFFFAOYSA-N 1 1 333.476 0.949 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CN(C)CCO3)cc2C1 ZINC001054260348 767877996 /nfs/dbraw/zinc/87/79/96/767877996.db2.gz LASYUIVRUNUZDU-SFHVURJKSA-N 1 1 327.428 0.972 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CN(C)C(=O)N3)cc2C1 ZINC001054277139 767889529 /nfs/dbraw/zinc/88/95/29/767889529.db2.gz MVKDELIRHGTQSG-MRXNPFEDSA-N 1 1 326.400 0.665 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)C(C)(C)C1 ZINC000995558541 759794086 /nfs/dbraw/zinc/79/40/86/759794086.db2.gz IVUHQFAAZIAVSO-NWDGAFQWSA-N 1 1 333.440 0.914 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001017357278 767890540 /nfs/dbraw/zinc/89/05/40/767890540.db2.gz VAYBPFUSSWJYHS-MRXNPFEDSA-N 1 1 331.416 0.005 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001017357278 767890546 /nfs/dbraw/zinc/89/05/46/767890546.db2.gz VAYBPFUSSWJYHS-MRXNPFEDSA-N 1 1 331.416 0.005 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H](CC)C(N)=O)C[C@H]32)nn1 ZINC001050160125 759826492 /nfs/dbraw/zinc/82/64/92/759826492.db2.gz REIWMQHLENAPHS-AEGPPILISA-N 1 1 346.435 0.264 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 ZINC001050198693 759922360 /nfs/dbraw/zinc/92/23/60/759922360.db2.gz VZFUFPCEAINJJL-UONOGXRCSA-N 1 1 334.420 0.379 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC001054297516 767906945 /nfs/dbraw/zinc/90/69/45/767906945.db2.gz UILPGVQUBCBARQ-ZACQAIPSSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001050298578 760081250 /nfs/dbraw/zinc/08/12/50/760081250.db2.gz WHCPSLJCJWOPEZ-LSDHHAIUSA-N 1 1 325.453 0.882 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001012502852 760114147 /nfs/dbraw/zinc/11/41/47/760114147.db2.gz TWHARFGTOARAIC-IAQYHMDHSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001012502855 760115010 /nfs/dbraw/zinc/11/50/10/760115010.db2.gz TWHARFGTOARAIC-XHDPSFHLSA-N 1 1 340.387 0.811 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000945381768 760163805 /nfs/dbraw/zinc/16/38/05/760163805.db2.gz PKNYBDKFZDRZAP-PMPSAXMXSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)CC)C1 ZINC001048290803 760237652 /nfs/dbraw/zinc/23/76/52/760237652.db2.gz CZWUQAGKADNEPA-UGUYLWEFSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)CC)C1 ZINC001048290803 760237661 /nfs/dbraw/zinc/23/76/61/760237661.db2.gz CZWUQAGKADNEPA-UGUYLWEFSA-N 1 1 335.448 0.160 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH2+]Cc3nnn(C)n3)C2)cc1 ZINC001048331611 760317859 /nfs/dbraw/zinc/31/78/59/760317859.db2.gz QNZLFSNGLSMFJJ-XJKSGUPXSA-N 1 1 338.415 0.689 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001012648246 760484188 /nfs/dbraw/zinc/48/41/88/760484188.db2.gz LHFZJPJEOUUANK-BXUZGUMPSA-N 1 1 340.387 0.811 20 30 ECEDMO COCCC[NH+]1CC(n2cc(CNC(=O)CSCC#N)nn2)C1 ZINC001107129650 760522193 /nfs/dbraw/zinc/52/21/93/760522193.db2.gz JJDHGLPMRRXCJH-UHFFFAOYSA-N 1 1 338.437 0.044 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050643001 760619077 /nfs/dbraw/zinc/61/90/77/760619077.db2.gz POTLHALPMXOMLI-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC001127061949 760623888 /nfs/dbraw/zinc/62/38/88/760623888.db2.gz ZLTNRHHRQVLZHD-UONOGXRCSA-N 1 1 342.403 0.467 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(=O)c(OC)c[nH]1)C2 ZINC001048546336 760693315 /nfs/dbraw/zinc/69/33/15/760693315.db2.gz WZKFJQUDXUVJKB-BTTYYORXSA-N 1 1 329.400 0.990 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1Cc3cncn3C(=O)N1)C2 ZINC001048547701 760695863 /nfs/dbraw/zinc/69/58/63/760695863.db2.gz RACSMUJSFVOISZ-FQLMCAECSA-N 1 1 343.431 0.911 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccoc1CC(N)=O)C2 ZINC001048556474 760712349 /nfs/dbraw/zinc/71/23/49/760712349.db2.gz IKOXITHCRGCSKT-BTTYYORXSA-N 1 1 329.400 0.913 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2nonc2C)C(C)(C)C1 ZINC000995922454 760782564 /nfs/dbraw/zinc/78/25/64/760782564.db2.gz KVQURSBGCHEQFJ-HOTGVXAUSA-N 1 1 345.447 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2nonc2C)C(C)(C)C1 ZINC000995922454 760782569 /nfs/dbraw/zinc/78/25/69/760782569.db2.gz KVQURSBGCHEQFJ-HOTGVXAUSA-N 1 1 345.447 0.802 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1O ZINC001048712435 760999367 /nfs/dbraw/zinc/99/93/67/760999367.db2.gz UCXKFJQSDLCJMT-HOTGVXAUSA-N 1 1 337.464 0.552 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCOC4)C[C@H]3C2)C1=O ZINC001048712730 761000289 /nfs/dbraw/zinc/00/02/89/761000289.db2.gz DTDXTIRMKWEVBO-JONQDZQNSA-N 1 1 333.432 0.200 20 30 ECEDMO COCc1noc([C@@H](C)[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1 ZINC001048726559 761050760 /nfs/dbraw/zinc/05/07/60/761050760.db2.gz FVSXFFQEEZLSRT-QNWHQSFQSA-N 1 1 333.392 0.827 20 30 ECEDMO COCc1noc([C@@H](C)[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1 ZINC001048726559 761050767 /nfs/dbraw/zinc/05/07/67/761050767.db2.gz FVSXFFQEEZLSRT-QNWHQSFQSA-N 1 1 333.392 0.827 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC[C@H]3C)C[C@@H]2C1 ZINC001048727260 761054209 /nfs/dbraw/zinc/05/42/09/761054209.db2.gz INFAHRKGECSDFA-FPCVCCKLSA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H](C)C3)C[C@@H]2C1 ZINC001048727690 761055721 /nfs/dbraw/zinc/05/57/21/761055721.db2.gz MBASEESXWUCIKZ-QXSJWSMHSA-N 1 1 332.448 0.795 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@H]12 ZINC000991475827 761122533 /nfs/dbraw/zinc/12/25/33/761122533.db2.gz UBVJFCRYQBWPIW-YJBOKZPZSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cn(C)cn4)C[C@H]3C2)C1=O ZINC001048764458 761137338 /nfs/dbraw/zinc/13/73/38/761137338.db2.gz BNJDRWBWGNMEED-IJEWVQPXSA-N 1 1 343.431 0.211 20 30 ECEDMO N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001050917515 761138519 /nfs/dbraw/zinc/13/85/19/761138519.db2.gz MNRAUGXKNYWDDA-NVXWUHKLSA-N 1 1 334.464 0.982 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1OC ZINC001212150449 761320227 /nfs/dbraw/zinc/32/02/27/761320227.db2.gz YPNMPRMXUADSHL-IAGOWNOFSA-N 1 1 347.459 0.832 20 30 ECEDMO C=CCC[NH+]1CC(OC2CCN(C(=O)[C@@H](COC)OC)CC2)C1 ZINC001105724091 761332719 /nfs/dbraw/zinc/33/27/19/761332719.db2.gz NAEXBSKRJUAPRG-MRXNPFEDSA-N 1 1 326.437 0.916 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(c3ccc(C#N)nn3)[C@@H]2C)C1 ZINC001051016841 761342377 /nfs/dbraw/zinc/34/23/77/761342377.db2.gz SLXKZDRPSPAHKD-NFAWXSAZSA-N 1 1 328.420 0.773 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001051045285 761385075 /nfs/dbraw/zinc/38/50/75/761385075.db2.gz USQSUMLGWUUTGE-JKSUJKDBSA-N 1 1 347.463 0.932 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001051045285 761385084 /nfs/dbraw/zinc/38/50/84/761385084.db2.gz USQSUMLGWUUTGE-JKSUJKDBSA-N 1 1 347.463 0.932 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CS(=O)(=O)CC)CC2)C1 ZINC001105734545 761410786 /nfs/dbraw/zinc/41/07/86/761410786.db2.gz XHFRNLWSUFVPGS-UHFFFAOYSA-N 1 1 342.461 0.136 20 30 ECEDMO C=CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082268 761456704 /nfs/dbraw/zinc/45/67/04/761456704.db2.gz XEHBAFKBAIHJOB-HOTGVXAUSA-N 1 1 325.453 0.489 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001051089448 761471075 /nfs/dbraw/zinc/47/10/75/761471075.db2.gz LXMOAAFYEVKZND-LSDHHAIUSA-N 1 1 347.463 0.703 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001051089448 761471080 /nfs/dbraw/zinc/47/10/80/761471080.db2.gz LXMOAAFYEVKZND-LSDHHAIUSA-N 1 1 347.463 0.703 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1C ZINC001054569925 768045016 /nfs/dbraw/zinc/04/50/16/768045016.db2.gz HVQFKEACXQUPSM-RISCZKNCSA-N 1 1 341.419 0.828 20 30 ECEDMO C#CCCN1CCOC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001051189997 761651245 /nfs/dbraw/zinc/65/12/45/761651245.db2.gz UNNLRHFRZCRVMT-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CCOCC2)nc1 ZINC001051214989 761705158 /nfs/dbraw/zinc/70/51/58/761705158.db2.gz QWXJAYCSCZGMMB-QGZVFWFLSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CCOCC2)nc1 ZINC001051214989 761705161 /nfs/dbraw/zinc/70/51/61/761705161.db2.gz QWXJAYCSCZGMMB-QGZVFWFLSA-N 1 1 343.427 0.920 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2COCCN2Cc2cccc(C#N)c2)C1 ZINC001051239269 761739677 /nfs/dbraw/zinc/73/96/77/761739677.db2.gz AJVBRHLITQWSDH-MSOLQXFVSA-N 1 1 342.443 0.827 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H](C)NC(N)=O)C2)nn1 ZINC001098676762 762707658 /nfs/dbraw/zinc/70/76/58/762707658.db2.gz VJVXSXLCMRYDIV-JSGCOSHPSA-N 1 1 349.439 0.164 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nncn3C)C2)cc1 ZINC001051748100 762864934 /nfs/dbraw/zinc/86/49/34/762864934.db2.gz VWKYVQTXFQTBBI-INIZCTEOSA-N 1 1 339.399 0.427 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ncccc2C#N)C[C@@H]1O ZINC001051749097 762867179 /nfs/dbraw/zinc/86/71/79/762867179.db2.gz BOISJVRKXOYJBJ-CABCVRRESA-N 1 1 340.387 0.214 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncnn3C)C2)CC1 ZINC001051801524 762998304 /nfs/dbraw/zinc/99/83/04/762998304.db2.gz LVOILHVKAUMQJA-HNNXBMFYSA-N 1 1 333.436 0.879 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001105966940 763091777 /nfs/dbraw/zinc/09/17/77/763091777.db2.gz RVEHRGBQKQPGBU-CABCVRRESA-N 1 1 349.435 0.453 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC001046779671 763114765 /nfs/dbraw/zinc/11/47/65/763114765.db2.gz XJCACTYTJHVJHY-FZKQIMNGSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC001046779671 763114774 /nfs/dbraw/zinc/11/47/74/763114774.db2.gz XJCACTYTJHVJHY-FZKQIMNGSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)cn1 ZINC001089841504 763115361 /nfs/dbraw/zinc/11/53/61/763115361.db2.gz GAMFXEYHGOBGGN-FQLMCAECSA-N 1 1 326.400 0.196 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001046780792 763116287 /nfs/dbraw/zinc/11/62/87/763116287.db2.gz ADQUSQVHQKZRKH-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001046780792 763116292 /nfs/dbraw/zinc/11/62/92/763116292.db2.gz ADQUSQVHQKZRKH-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001046782923 763119857 /nfs/dbraw/zinc/11/98/57/763119857.db2.gz HBFLPRSHYWLOHO-GOSISDBHSA-N 1 1 325.368 0.788 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cccc(OC)n2)C1 ZINC001014768475 763122936 /nfs/dbraw/zinc/12/29/36/763122936.db2.gz CQHKEPHTIKXSPB-IRXDYDNUSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cccc(OC)n2)C1 ZINC001014768475 763122943 /nfs/dbraw/zinc/12/29/43/763122943.db2.gz CQHKEPHTIKXSPB-IRXDYDNUSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)cn1 ZINC001089842060 763131321 /nfs/dbraw/zinc/13/13/21/763131321.db2.gz ICGHPMNICWADME-IVSAIRAKSA-N 1 1 340.427 0.586 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001051867207 763151923 /nfs/dbraw/zinc/15/19/23/763151923.db2.gz DPNWYBIYMNMHKT-JYJNAYRXSA-N 1 1 335.404 0.973 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001046815975 763167244 /nfs/dbraw/zinc/16/72/44/763167244.db2.gz FXLLZDVIWDLQTP-KDOFPFPSSA-N 1 1 344.415 0.768 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)COc2cnn(C)c2)C1 ZINC001089853498 763186459 /nfs/dbraw/zinc/18/64/59/763186459.db2.gz USFDUEWJUPMPPC-DKIMLUQUSA-N 1 1 342.443 0.991 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001046829543 763188348 /nfs/dbraw/zinc/18/83/48/763188348.db2.gz FNGYSDGBBQNFMF-UMVBOHGHSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001046829543 763188355 /nfs/dbraw/zinc/18/83/55/763188355.db2.gz FNGYSDGBBQNFMF-UMVBOHGHSA-N 1 1 344.419 0.376 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ncc(C#N)cc3F)C2)C1 ZINC001051878771 763188554 /nfs/dbraw/zinc/18/85/54/763188554.db2.gz NZDKQZLJJBWHOX-HGMXIMQMSA-N 1 1 347.394 0.730 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ncc(C#N)cc3F)C2)C1 ZINC001051878771 763188559 /nfs/dbraw/zinc/18/85/59/763188559.db2.gz NZDKQZLJJBWHOX-HGMXIMQMSA-N 1 1 347.394 0.730 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NCC2=CCN(c3nccnc3C#N)CC2)C1 ZINC001127669456 763201788 /nfs/dbraw/zinc/20/17/88/763201788.db2.gz BXUBCHHJXPJHFK-OAHLLOKOSA-N 1 1 340.431 0.943 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)ccc1F ZINC001014809115 763208977 /nfs/dbraw/zinc/20/89/77/763208977.db2.gz BJMOBZDDKWUXKF-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)ccc1F ZINC001014809115 763208985 /nfs/dbraw/zinc/20/89/85/763208985.db2.gz BJMOBZDDKWUXKF-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cn(C(C)C)cn3)C2)C1=O ZINC001031874382 763215981 /nfs/dbraw/zinc/21/59/81/763215981.db2.gz QHGGGZOJYACHDN-MRXNPFEDSA-N 1 1 345.447 0.913 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nonc3C)C2)C1=O ZINC001046876900 763284481 /nfs/dbraw/zinc/28/44/81/763284481.db2.gz KPVDGMXQAGJWBH-MLGOLLRUSA-N 1 1 333.392 0.359 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3nonc3C)C2)C1=O ZINC001046876900 763284486 /nfs/dbraw/zinc/28/44/86/763284486.db2.gz KPVDGMXQAGJWBH-MLGOLLRUSA-N 1 1 333.392 0.359 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001046900184 763342677 /nfs/dbraw/zinc/34/26/77/763342677.db2.gz AZNWLYPNEWHGFI-APWZRJJASA-N 1 1 348.491 0.697 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000940546207 763405540 /nfs/dbraw/zinc/40/55/40/763405540.db2.gz WNBDQPRTXCVZBF-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001046947301 763439122 /nfs/dbraw/zinc/43/91/22/763439122.db2.gz NEMLWEYDUIXKPO-GFCCVEGCSA-N 1 1 338.358 0.986 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001046948210 763440746 /nfs/dbraw/zinc/44/07/46/763440746.db2.gz DBJHQTJZAOPKDM-QWHCGFSZSA-N 1 1 327.375 0.752 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001046948210 763440752 /nfs/dbraw/zinc/44/07/52/763440752.db2.gz DBJHQTJZAOPKDM-QWHCGFSZSA-N 1 1 327.375 0.752 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000995087216 763455495 /nfs/dbraw/zinc/45/54/95/763455495.db2.gz UUNOCAJWBFQRLB-MRXNPFEDSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cccc(C(N)=O)c2)C1 ZINC001030464401 763458909 /nfs/dbraw/zinc/45/89/09/763458909.db2.gz RILIUPTXRUJJPM-KRWDZBQOSA-N 1 1 340.427 0.184 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cccc(C(N)=O)c2)C1 ZINC001030464401 763458914 /nfs/dbraw/zinc/45/89/14/763458914.db2.gz RILIUPTXRUJJPM-KRWDZBQOSA-N 1 1 340.427 0.184 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001046960826 763466749 /nfs/dbraw/zinc/46/67/49/763466749.db2.gz DIKRVVWAGWXWLC-LBPRGKRZSA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001046960826 763466754 /nfs/dbraw/zinc/46/67/54/763466754.db2.gz DIKRVVWAGWXWLC-LBPRGKRZSA-N 1 1 334.330 0.445 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046970695 763489048 /nfs/dbraw/zinc/48/90/48/763489048.db2.gz OOBCTBUDNHTGJY-RWMBFGLXSA-N 1 1 345.390 0.669 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001105996066 763489280 /nfs/dbraw/zinc/48/92/80/763489280.db2.gz ZVUNPSPOABYNMB-ZIAGYGMSSA-N 1 1 346.435 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001046981687 763503276 /nfs/dbraw/zinc/50/32/76/763503276.db2.gz TVZVOACRLWQICN-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001046981687 763503282 /nfs/dbraw/zinc/50/32/82/763503282.db2.gz TVZVOACRLWQICN-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046983154 763507625 /nfs/dbraw/zinc/50/76/25/763507625.db2.gz WYYDMMMWLUVTRS-GFCCVEGCSA-N 1 1 343.374 0.689 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001046985886 763516204 /nfs/dbraw/zinc/51/62/04/763516204.db2.gz JXYFAOVMPJQBNW-NWDGAFQWSA-N 1 1 337.374 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001046985886 763516209 /nfs/dbraw/zinc/51/62/09/763516209.db2.gz JXYFAOVMPJQBNW-NWDGAFQWSA-N 1 1 337.374 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001046986976 763517533 /nfs/dbraw/zinc/51/75/33/763517533.db2.gz QROSVOQPGSOELV-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001046986976 763517535 /nfs/dbraw/zinc/51/75/35/763517535.db2.gz QROSVOQPGSOELV-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001046989063 763521992 /nfs/dbraw/zinc/52/19/92/763521992.db2.gz SFJXFSPZZADZOK-KGLIPLIRSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001046989063 763521995 /nfs/dbraw/zinc/52/19/95/763521995.db2.gz SFJXFSPZZADZOK-KGLIPLIRSA-N 1 1 327.375 0.704 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001046992363 763527336 /nfs/dbraw/zinc/52/73/36/763527336.db2.gz SUKSJTAMXQUIRE-UONOGXRCSA-N 1 1 345.390 0.493 20 30 ECEDMO C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046994391 763531541 /nfs/dbraw/zinc/53/15/41/763531541.db2.gz FDUXBTYCHVJWCO-KGLIPLIRSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994391 763531544 /nfs/dbraw/zinc/53/15/44/763531544.db2.gz FDUXBTYCHVJWCO-KGLIPLIRSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001046995846 763535807 /nfs/dbraw/zinc/53/58/07/763535807.db2.gz LXPPLGXLEXVKNP-ZDUSSCGKSA-N 1 1 342.390 0.484 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001046995846 763535812 /nfs/dbraw/zinc/53/58/12/763535812.db2.gz LXPPLGXLEXVKNP-ZDUSSCGKSA-N 1 1 342.390 0.484 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nn(CC)nc2C)C1 ZINC001046997068 763538684 /nfs/dbraw/zinc/53/86/84/763538684.db2.gz YZWSEEWHMQTPTG-LBPRGKRZSA-N 1 1 325.363 0.927 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nn(CC)nc2C)C1 ZINC001046997068 763538690 /nfs/dbraw/zinc/53/86/90/763538690.db2.gz YZWSEEWHMQTPTG-LBPRGKRZSA-N 1 1 325.363 0.927 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc(C)on3)C2)CC1 ZINC001051999156 763554266 /nfs/dbraw/zinc/55/42/66/763554266.db2.gz FTDLNJWPFCKWBN-QGZVFWFLSA-N 1 1 330.432 0.767 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001089859980 763579752 /nfs/dbraw/zinc/57/97/52/763579752.db2.gz UCZAJLNWBCYRCO-YXWQFLTLSA-N 1 1 328.416 0.931 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001089859980 763579756 /nfs/dbraw/zinc/57/97/56/763579756.db2.gz UCZAJLNWBCYRCO-YXWQFLTLSA-N 1 1 328.416 0.931 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001089859980 763579760 /nfs/dbraw/zinc/57/97/60/763579760.db2.gz UCZAJLNWBCYRCO-YXWQFLTLSA-N 1 1 328.416 0.931 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3csc(C)n3)C2)C1=O ZINC001031922067 763586346 /nfs/dbraw/zinc/58/63/46/763586346.db2.gz QHQMHRMASRDFIM-AWEZNQCLSA-N 1 1 334.445 0.900 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 ZINC001052019765 763601690 /nfs/dbraw/zinc/60/16/90/763601690.db2.gz ARJVEEXYPWNDQK-KRWDZBQOSA-N 1 1 327.432 0.261 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3nnc(C)o3)C2)CC1 ZINC001052022199 763607037 /nfs/dbraw/zinc/60/70/37/763607037.db2.gz JJEYSPCUXURZGH-HNNXBMFYSA-N 1 1 331.420 0.162 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(Cl)cnn3C)C2)CC1 ZINC001052026151 763618660 /nfs/dbraw/zinc/61/86/60/763618660.db2.gz AVVWZXZGBHAEPU-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035868 763644794 /nfs/dbraw/zinc/64/47/94/763644794.db2.gz SDOHGDURUPVICN-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCCC(C)C)C1 ZINC001047095885 763660437 /nfs/dbraw/zinc/66/04/37/763660437.db2.gz VXLSDKGXEMAUGB-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCCC(C)C)C1 ZINC001047095885 763660443 /nfs/dbraw/zinc/66/04/43/763660443.db2.gz VXLSDKGXEMAUGB-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)CC1 ZINC001052040653 763662411 /nfs/dbraw/zinc/66/24/11/763662411.db2.gz DCPUALWMZAQTJS-CQSZACIVSA-N 1 1 331.420 0.279 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)CC1 ZINC001052040792 763663845 /nfs/dbraw/zinc/66/38/45/763663845.db2.gz KUGMRZMAITZISU-INIZCTEOSA-N 1 1 330.432 0.403 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)CC1 ZINC001052040792 763663852 /nfs/dbraw/zinc/66/38/52/763663852.db2.gz KUGMRZMAITZISU-INIZCTEOSA-N 1 1 330.432 0.403 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052042340 763670884 /nfs/dbraw/zinc/67/08/84/763670884.db2.gz AYJIJKLEUYTZMA-QFBILLFUSA-N 1 1 346.475 0.145 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cccnc3)C2)CC1 ZINC001052047282 763690232 /nfs/dbraw/zinc/69/02/32/763690232.db2.gz LBJIOIWDFYEJHH-KRWDZBQOSA-N 1 1 327.432 0.756 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn4cccnc4n3)C2)CC1 ZINC001052048547 763696487 /nfs/dbraw/zinc/69/64/87/763696487.db2.gz XGRHXPNDNOQBNO-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 ZINC001106012048 763706644 /nfs/dbraw/zinc/70/66/44/763706644.db2.gz ZJOMSVCLALIBHQ-CQSZACIVSA-N 1 1 333.436 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001120450377 763716803 /nfs/dbraw/zinc/71/68/03/763716803.db2.gz VMEPQDHVWZIRRK-HUUCEWRRSA-N 1 1 341.477 0.214 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)nc3OC)C2)CC1 ZINC001052061066 763743113 /nfs/dbraw/zinc/74/31/13/763743113.db2.gz ROYMJZIULWVZGE-AWEZNQCLSA-N 1 1 333.436 0.447 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc(OCC)c3)C2)CC1 ZINC001052080824 763796197 /nfs/dbraw/zinc/79/61/97/763796197.db2.gz HCAOFPQCUDOIIJ-QGZVFWFLSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(CCC)c3)C2)CC1 ZINC001052089206 763824868 /nfs/dbraw/zinc/82/48/68/763824868.db2.gz PRVHHLWHCMJKPZ-QGZVFWFLSA-N 1 1 329.448 0.758 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#CC)CC2)C1 ZINC001052089589 763824945 /nfs/dbraw/zinc/82/49/45/763824945.db2.gz RMXLAMJKKRTOQM-KURKYZTESA-N 1 1 331.460 0.819 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ncccn3)C2)CC1 ZINC001052099500 763857760 /nfs/dbraw/zinc/85/77/60/763857760.db2.gz KSKLNGGJJMKLGY-KRWDZBQOSA-N 1 1 341.459 0.651 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(CC)c3C)C2)CC1 ZINC001052100749 763861751 /nfs/dbraw/zinc/86/17/51/763861751.db2.gz HRSZLSJUFSMGJK-INIZCTEOSA-N 1 1 329.448 0.677 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)CC1 ZINC001052101958 763865382 /nfs/dbraw/zinc/86/53/82/763865382.db2.gz BBNQPYFLNZWSRR-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)c3cnn(C)c3)C2)CC1 ZINC001052102241 763867016 /nfs/dbraw/zinc/86/70/16/763867016.db2.gz YNQPWWKWNHJHGA-KRWDZBQOSA-N 1 1 343.475 0.549 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106344408 768171249 /nfs/dbraw/zinc/17/12/49/768171249.db2.gz MCBWWWJWTJPPHC-OCCSQVGLSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106344408 768171254 /nfs/dbraw/zinc/17/12/54/768171254.db2.gz MCBWWWJWTJPPHC-OCCSQVGLSA-N 1 1 332.408 0.376 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106165 763880549 /nfs/dbraw/zinc/88/05/49/763880549.db2.gz DMXODRINVONVFO-HKUYNNGSSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106165 763880556 /nfs/dbraw/zinc/88/05/56/763880556.db2.gz DMXODRINVONVFO-HKUYNNGSSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106657 763881585 /nfs/dbraw/zinc/88/15/85/763881585.db2.gz QBFJZBOJQHLGSU-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106657 763881594 /nfs/dbraw/zinc/88/15/94/763881594.db2.gz QBFJZBOJQHLGSU-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2nc(C)cc(C#N)n2)C1 ZINC001106344812 768172281 /nfs/dbraw/zinc/17/22/81/768172281.db2.gz QOYGSRZDUSAKHY-SWLSCSKDSA-N 1 1 346.435 0.684 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2nc(C)cc(C#N)n2)C1 ZINC001106344812 768172288 /nfs/dbraw/zinc/17/22/88/768172288.db2.gz QOYGSRZDUSAKHY-SWLSCSKDSA-N 1 1 346.435 0.684 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)CC1 ZINC001052106981 763885654 /nfs/dbraw/zinc/88/56/54/763885654.db2.gz YKZBAPILMQGUOO-HZPDHXFCSA-N 1 1 349.479 0.324 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)CC1 ZINC001052106981 763885663 /nfs/dbraw/zinc/88/56/63/763885663.db2.gz YKZBAPILMQGUOO-HZPDHXFCSA-N 1 1 349.479 0.324 20 30 ECEDMO COc1cc[nH]c(=O)c1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052107913 763888540 /nfs/dbraw/zinc/88/85/40/763888540.db2.gz HSWXNCISFBHBKP-ZDUSSCGKSA-N 1 1 345.403 0.151 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)CC1 ZINC001052108719 763892746 /nfs/dbraw/zinc/89/27/46/763892746.db2.gz PQZRURNTHFOHCS-AWEZNQCLSA-N 1 1 344.415 0.261 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113228 763910979 /nfs/dbraw/zinc/91/09/79/763910979.db2.gz PRVUEMBBKFVVDL-DLBZAZTESA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113228 763910984 /nfs/dbraw/zinc/91/09/84/763910984.db2.gz PRVUEMBBKFVVDL-DLBZAZTESA-N 1 1 334.464 0.259 20 30 ECEDMO Cn1cc(CCC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052119312 763936283 /nfs/dbraw/zinc/93/62/83/763936283.db2.gz OUZQAKHQBDZQDH-INIZCTEOSA-N 1 1 330.436 0.095 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)CC1 ZINC001052119376 763936439 /nfs/dbraw/zinc/93/64/39/763936439.db2.gz QCXMNSVMNXEWMR-CVEARBPZSA-N 1 1 344.463 0.245 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)CC1 ZINC001052119376 763936442 /nfs/dbraw/zinc/93/64/42/763936442.db2.gz QCXMNSVMNXEWMR-CVEARBPZSA-N 1 1 344.463 0.245 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)CC1 ZINC001052120125 763938166 /nfs/dbraw/zinc/93/81/66/763938166.db2.gz ZABOUUZIIJJNDQ-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(CC)n(C)n3)C2)CC1 ZINC001052123102 763948675 /nfs/dbraw/zinc/94/86/75/763948675.db2.gz BPUMTXIXUFMFNK-MRXNPFEDSA-N 1 1 329.448 0.448 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2CC(Nc3nccnc3C#N)C2)CC[N@H+]1C ZINC001052124401 763953099 /nfs/dbraw/zinc/95/30/99/763953099.db2.gz MPKXLZLOLABQMY-BLYZHGLHSA-N 1 1 328.420 0.995 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C2)CC1 ZINC001052131686 763962977 /nfs/dbraw/zinc/96/29/77/763962977.db2.gz WZXZDWGIYLYLEB-IRXDYDNUSA-N 1 1 331.460 0.655 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(-c2cccnc2)nn1 ZINC001017603797 768178874 /nfs/dbraw/zinc/17/88/74/768178874.db2.gz UUWBDKRSIUXSBI-IYBDPMFKSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(-c2cccnc2)nn1 ZINC001017603797 768178880 /nfs/dbraw/zinc/17/88/80/768178880.db2.gz UUWBDKRSIUXSBI-IYBDPMFKSA-N 1 1 336.399 0.974 20 30 ECEDMO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2nc[nH]n2)C1 ZINC001099537082 763973153 /nfs/dbraw/zinc/97/31/53/763973153.db2.gz NBZFXHTVKFERAI-AJNGGQMLSA-N 1 1 329.404 0.237 20 30 ECEDMO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047320975 763986143 /nfs/dbraw/zinc/98/61/43/763986143.db2.gz AYQAHJOSWBVFLQ-ULQDDVLXSA-N 1 1 329.400 0.598 20 30 ECEDMO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047320975 763986146 /nfs/dbraw/zinc/98/61/46/763986146.db2.gz AYQAHJOSWBVFLQ-ULQDDVLXSA-N 1 1 329.400 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(C)c2CC)C1 ZINC000995200106 764015354 /nfs/dbraw/zinc/01/53/54/764015354.db2.gz PDWHPHJKJOSCCJ-INIZCTEOSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(C)c2CC)C1 ZINC000995200106 764015361 /nfs/dbraw/zinc/01/53/61/764015361.db2.gz PDWHPHJKJOSCCJ-INIZCTEOSA-N 1 1 343.431 0.021 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001047336234 764041137 /nfs/dbraw/zinc/04/11/37/764041137.db2.gz YAZPHZIAFJCMTI-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001047336234 764041145 /nfs/dbraw/zinc/04/11/45/764041145.db2.gz YAZPHZIAFJCMTI-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)CN3CCCCS3(=O)=O)CCC[C@H]12 ZINC000991858363 764081415 /nfs/dbraw/zinc/08/14/15/764081415.db2.gz GEXNMGXQFITFTC-GOEBONIOSA-N 1 1 339.461 0.158 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)CN3CCCCS3(=O)=O)CCC[C@H]12 ZINC000991858365 764081867 /nfs/dbraw/zinc/08/18/67/764081867.db2.gz GEXNMGXQFITFTC-HOCLYGCPSA-N 1 1 339.461 0.158 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001047353740 764090481 /nfs/dbraw/zinc/09/04/81/764090481.db2.gz JXNBQIUSBZPQKH-GJZGRUSLSA-N 1 1 345.428 0.703 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001047353740 764090490 /nfs/dbraw/zinc/09/04/90/764090490.db2.gz JXNBQIUSBZPQKH-GJZGRUSLSA-N 1 1 345.428 0.703 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001077576672 764176035 /nfs/dbraw/zinc/17/60/35/764176035.db2.gz XWKBLPSUEAHIIM-JGGQBBKZSA-N 1 1 333.436 0.048 20 30 ECEDMO CCN(CCNc1nccnc1C#N)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001106975834 764184780 /nfs/dbraw/zinc/18/47/80/764184780.db2.gz HMUCKEFFXJSKRD-ZFWWWQNUSA-N 1 1 344.419 0.472 20 30 ECEDMO CCN(CCNc1nccnc1C#N)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001106975833 764185019 /nfs/dbraw/zinc/18/50/19/764185019.db2.gz HMUCKEFFXJSKRD-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001047392552 764196643 /nfs/dbraw/zinc/19/66/43/764196643.db2.gz NNBOONZUTFIBGX-RYUDHWBXSA-N 1 1 344.337 0.579 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001047392552 764196648 /nfs/dbraw/zinc/19/66/48/764196648.db2.gz NNBOONZUTFIBGX-RYUDHWBXSA-N 1 1 344.337 0.579 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047392573 764197528 /nfs/dbraw/zinc/19/75/28/764197528.db2.gz OOJAFVIDCLDURJ-PMPSAXMXSA-N 1 1 335.448 0.325 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047392573 764197534 /nfs/dbraw/zinc/19/75/34/764197534.db2.gz OOJAFVIDCLDURJ-PMPSAXMXSA-N 1 1 335.448 0.325 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001047407975 764252394 /nfs/dbraw/zinc/25/23/94/764252394.db2.gz UBBQYHISELCXTC-GJZGRUSLSA-N 1 1 345.399 0.825 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001047413063 764266409 /nfs/dbraw/zinc/26/64/09/764266409.db2.gz UWQDNJLSFKNAIS-BXWFABGCSA-N 1 1 349.475 0.763 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001032043416 764273346 /nfs/dbraw/zinc/27/33/46/764273346.db2.gz CEVCBDVXAQLQRY-YOEHRIQHSA-N 1 1 349.431 0.165 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn3c2CCCC3)C1 ZINC001047415883 764276851 /nfs/dbraw/zinc/27/68/51/764276851.db2.gz MMPKEPJPNAVECI-IRXDYDNUSA-N 1 1 332.448 0.842 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)C1 ZINC001106070190 764308962 /nfs/dbraw/zinc/30/89/62/764308962.db2.gz LQJKNWZOGQKHMJ-ZFWWWQNUSA-N 1 1 346.435 0.359 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001047428159 764315838 /nfs/dbraw/zinc/31/58/38/764315838.db2.gz BDVBDBNQHRZOKC-HOTGVXAUSA-N 1 1 329.404 0.662 20 30 ECEDMO C=CCOc1ccccc1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047433526 764332662 /nfs/dbraw/zinc/33/26/62/764332662.db2.gz MGUGZYUEFTYKRC-KBMXLJTQSA-N 1 1 334.416 0.749 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccc(=O)[nH]c3)C2)C1=O ZINC001015303660 764338288 /nfs/dbraw/zinc/33/82/88/764338288.db2.gz QDNOJGJNHJYYJN-LSDHHAIUSA-N 1 1 344.415 0.307 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(=O)[nH]c3)C2)C1=O ZINC001015303660 764338295 /nfs/dbraw/zinc/33/82/95/764338295.db2.gz QDNOJGJNHJYYJN-LSDHHAIUSA-N 1 1 344.415 0.307 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001047445537 764369296 /nfs/dbraw/zinc/36/92/96/764369296.db2.gz BIJFUTQKSQLSKE-IRXDYDNUSA-N 1 1 341.411 0.346 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001047445537 764369304 /nfs/dbraw/zinc/36/93/04/764369304.db2.gz BIJFUTQKSQLSKE-IRXDYDNUSA-N 1 1 341.411 0.346 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3ncnn32)C1 ZINC001047445545 764369319 /nfs/dbraw/zinc/36/93/19/764369319.db2.gz BXAJZIJYRKVNTE-GJZGRUSLSA-N 1 1 329.404 0.813 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC1 ZINC001052382656 764376623 /nfs/dbraw/zinc/37/66/23/764376623.db2.gz QZNACMSAAAUOJK-AWEZNQCLSA-N 1 1 333.432 0.766 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001047448658 764378688 /nfs/dbraw/zinc/37/86/88/764378688.db2.gz URCYMPBUZNVMIU-ROUUACIJSA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001047448658 764378695 /nfs/dbraw/zinc/37/86/95/764378695.db2.gz URCYMPBUZNVMIU-ROUUACIJSA-N 1 1 343.427 0.714 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001047449593 764380563 /nfs/dbraw/zinc/38/05/63/764380563.db2.gz HGLSOELAQZRVAC-ILXRZTDVSA-N 1 1 338.452 0.247 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001047456354 764399269 /nfs/dbraw/zinc/39/92/69/764399269.db2.gz QHOAQEKTMFRWGC-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COC1CCOCC1 ZINC001089872655 764400598 /nfs/dbraw/zinc/40/05/98/764400598.db2.gz IDMXGTXKGHOIQB-OWLYRPNTSA-N 1 1 332.444 0.984 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(Br)c2)C1 ZINC001047461272 764415449 /nfs/dbraw/zinc/41/54/49/764415449.db2.gz ZWBGQHFWZPPIAC-QWRGUYRKSA-N 1 1 326.194 0.528 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(Br)c2)C1 ZINC001047461272 764415452 /nfs/dbraw/zinc/41/54/52/764415452.db2.gz ZWBGQHFWZPPIAC-QWRGUYRKSA-N 1 1 326.194 0.528 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)[C@@H]1C ZINC001088913985 764435213 /nfs/dbraw/zinc/43/52/13/764435213.db2.gz BNGCMABEHNCTGJ-DYWXZXKOSA-N 1 1 335.448 0.825 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)[C@@H]1C ZINC001088913985 764435217 /nfs/dbraw/zinc/43/52/17/764435217.db2.gz BNGCMABEHNCTGJ-DYWXZXKOSA-N 1 1 335.448 0.825 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001047472454 764441191 /nfs/dbraw/zinc/44/11/91/764441191.db2.gz CWXRJIQWZXTVTE-KBMXLJTQSA-N 1 1 348.447 0.617 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CNC(=O)C1 ZINC001015375790 764473584 /nfs/dbraw/zinc/47/35/84/764473584.db2.gz KSKNDQTULVWNAU-YJBOKZPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CNC(=O)C1 ZINC001015375790 764473592 /nfs/dbraw/zinc/47/35/92/764473592.db2.gz KSKNDQTULVWNAU-YJBOKZPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nnnc1C(C)C ZINC001089873363 764477604 /nfs/dbraw/zinc/47/76/04/764477604.db2.gz AVCFCTRQROLLAG-JONQDZQNSA-N 1 1 342.447 0.599 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001047483267 764481202 /nfs/dbraw/zinc/48/12/02/764481202.db2.gz FRUJGDQOCHUJRP-GJZGRUSLSA-N 1 1 327.388 0.775 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001047483267 764481209 /nfs/dbraw/zinc/48/12/09/764481209.db2.gz FRUJGDQOCHUJRP-GJZGRUSLSA-N 1 1 327.388 0.775 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001052430572 764482050 /nfs/dbraw/zinc/48/20/50/764482050.db2.gz TWHSXTSRKRZTNY-CQSZACIVSA-N 1 1 327.450 0.016 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001047501794 764529471 /nfs/dbraw/zinc/52/94/71/764529471.db2.gz VUZBAPJHRISEHF-COXVUDFISA-N 1 1 330.432 0.367 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001047504587 764537517 /nfs/dbraw/zinc/53/75/17/764537517.db2.gz OMVCVLDLGOVMOP-RDBSUJKOSA-N 1 1 329.391 0.100 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001047504587 764537520 /nfs/dbraw/zinc/53/75/20/764537520.db2.gz OMVCVLDLGOVMOP-RDBSUJKOSA-N 1 1 329.391 0.100 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2nnn3C)C1 ZINC001047504698 764538713 /nfs/dbraw/zinc/53/87/13/764538713.db2.gz SDPFSXKNNDDCHD-STQMWFEESA-N 1 1 330.392 0.057 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3oc(CC)nc3C)C2)C1=O ZINC001032104447 764571412 /nfs/dbraw/zinc/57/14/12/764571412.db2.gz MFVIXCJMOKPYKH-CQSZACIVSA-N 1 1 346.431 0.994 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001047528955 764606350 /nfs/dbraw/zinc/60/63/50/764606350.db2.gz KUZCQQWJXRHENB-HOTGVXAUSA-N 1 1 343.431 0.217 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001047528955 764606353 /nfs/dbraw/zinc/60/63/53/764606353.db2.gz KUZCQQWJXRHENB-HOTGVXAUSA-N 1 1 343.431 0.217 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cnccc2C)C[C@@H]1O ZINC001047529415 764607759 /nfs/dbraw/zinc/60/77/59/764607759.db2.gz BKURBXACBDUZCW-OWSLCNJRSA-N 1 1 345.443 0.985 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cnccc2C)C[C@@H]1O ZINC001047529415 764607762 /nfs/dbraw/zinc/60/77/62/764607762.db2.gz BKURBXACBDUZCW-OWSLCNJRSA-N 1 1 345.443 0.985 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nocc3C)[C@H]2C)C1=O ZINC001088962794 764632620 /nfs/dbraw/zinc/63/26/20/764632620.db2.gz XOTFBPQHWDPWBK-RDBSUJKOSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nocc3C)[C@H]2C)C1=O ZINC001088962794 764632623 /nfs/dbraw/zinc/63/26/23/764632623.db2.gz XOTFBPQHWDPWBK-RDBSUJKOSA-N 1 1 332.404 0.963 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001047548061 764659577 /nfs/dbraw/zinc/65/95/77/764659577.db2.gz OFDLANGZCGXVAC-KBPBESRZSA-N 1 1 348.378 0.457 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc(C)cnc23)C1 ZINC001047550045 764665335 /nfs/dbraw/zinc/66/53/35/764665335.db2.gz LWGCNNPFVSYNAK-GJZGRUSLSA-N 1 1 329.404 0.731 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C)cc2=O)C1 ZINC001047550131 764666817 /nfs/dbraw/zinc/66/68/17/764666817.db2.gz PZSUAGLIABQYAB-HOTGVXAUSA-N 1 1 333.432 0.626 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001047552980 764672994 /nfs/dbraw/zinc/67/29/94/764672994.db2.gz GHTHZJCSGUEVRB-HOTGVXAUSA-N 1 1 333.432 0.807 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001047552748 764673074 /nfs/dbraw/zinc/67/30/74/764673074.db2.gz UHWMLJKEEWSREW-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(N3CCCC3)n2)C1 ZINC001047553289 764676216 /nfs/dbraw/zinc/67/62/16/764676216.db2.gz XNCKQEWFXFATOQ-HOTGVXAUSA-N 1 1 343.431 0.217 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CC3CC(C)C3)C[C@@H]2O)nn1 ZINC001047554474 764680738 /nfs/dbraw/zinc/68/07/38/764680738.db2.gz XLSRPFHMWJSRIO-BGHVQYPCSA-N 1 1 333.436 0.627 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047561844 764697125 /nfs/dbraw/zinc/69/71/25/764697125.db2.gz YPUDLVRWFLWVHO-QAETUUGQSA-N 1 1 348.447 0.405 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047561844 764697131 /nfs/dbraw/zinc/69/71/31/764697131.db2.gz YPUDLVRWFLWVHO-QAETUUGQSA-N 1 1 348.447 0.405 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001047564014 764701769 /nfs/dbraw/zinc/70/17/69/764701769.db2.gz IVOOHBKTOWCUED-STQMWFEESA-N 1 1 331.376 0.128 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncc3ccccc32)C1 ZINC001047567359 764712299 /nfs/dbraw/zinc/71/22/99/764712299.db2.gz FMDSKGRWRGEWTC-IRXDYDNUSA-N 1 1 326.400 0.563 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncc3ccccc32)C1 ZINC001047567359 764712308 /nfs/dbraw/zinc/71/23/08/764712308.db2.gz FMDSKGRWRGEWTC-IRXDYDNUSA-N 1 1 326.400 0.563 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]ncc2Br)C1 ZINC001047567300 764712532 /nfs/dbraw/zinc/71/25/32/764712532.db2.gz BWQITQNEWXYMJI-UWVGGRQHSA-N 1 1 329.198 0.475 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]ncc2Br)C1 ZINC001047567300 764712536 /nfs/dbraw/zinc/71/25/36/764712536.db2.gz BWQITQNEWXYMJI-UWVGGRQHSA-N 1 1 329.198 0.475 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001052547392 764730632 /nfs/dbraw/zinc/73/06/32/764730632.db2.gz FOARBJYTQYTNKR-NVXWUHKLSA-N 1 1 347.459 0.333 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)cc1 ZINC001015484327 764752417 /nfs/dbraw/zinc/75/24/17/764752417.db2.gz BWVZHGVHGBLJCY-MRXNPFEDSA-N 1 1 339.395 0.621 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001047578096 764754636 /nfs/dbraw/zinc/75/46/36/764754636.db2.gz NHWIELOWHHBAFV-GJZGRUSLSA-N 1 1 327.388 0.027 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001047578096 764754648 /nfs/dbraw/zinc/75/46/48/764754648.db2.gz NHWIELOWHHBAFV-GJZGRUSLSA-N 1 1 327.388 0.027 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OC)ccn3)C2)C1=O ZINC001015485432 764755350 /nfs/dbraw/zinc/75/53/50/764755350.db2.gz WXRUAHHOCQMGTI-XJKSGUPXSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(OC)ccn3)C2)C1=O ZINC001015485432 764755352 /nfs/dbraw/zinc/75/53/52/764755352.db2.gz WXRUAHHOCQMGTI-XJKSGUPXSA-N 1 1 344.415 0.681 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H]1C ZINC001089010638 764766901 /nfs/dbraw/zinc/76/69/01/764766901.db2.gz LCNKJODYIJWJLU-YPMHNXCESA-N 1 1 325.372 0.946 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H]1C ZINC001089010638 764766910 /nfs/dbraw/zinc/76/69/10/764766910.db2.gz LCNKJODYIJWJLU-YPMHNXCESA-N 1 1 325.372 0.946 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001047593263 764812393 /nfs/dbraw/zinc/81/23/93/764812393.db2.gz BXDNAORBMYSJGA-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001047593263 764812401 /nfs/dbraw/zinc/81/24/01/764812401.db2.gz BXDNAORBMYSJGA-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC001047598358 764832954 /nfs/dbraw/zinc/83/29/54/764832954.db2.gz IYGFQTOQSKJGEJ-BQFCYCMXSA-N 1 1 328.412 0.825 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC001047598358 764832959 /nfs/dbraw/zinc/83/29/59/764832959.db2.gz IYGFQTOQSKJGEJ-BQFCYCMXSA-N 1 1 328.412 0.825 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001032159377 764844355 /nfs/dbraw/zinc/84/43/55/764844355.db2.gz HMRWJMTVRCRNLH-CQSZACIVSA-N 1 1 331.420 0.421 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+](CCC=C)C[C@@H]1O ZINC001047601635 764844477 /nfs/dbraw/zinc/84/44/77/764844477.db2.gz DNRCKECLFLFHCI-HOTGVXAUSA-N 1 1 329.400 0.787 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)cccc2OC)C1 ZINC001047609131 764869000 /nfs/dbraw/zinc/86/90/00/764869000.db2.gz JUUNQWNWTGVKNT-KBPBESRZSA-N 1 1 332.400 0.844 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)cccc2OC)C1 ZINC001047609131 764869006 /nfs/dbraw/zinc/86/90/06/764869006.db2.gz JUUNQWNWTGVKNT-KBPBESRZSA-N 1 1 332.400 0.844 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cn2)OCCC3)C1 ZINC001047611401 764875353 /nfs/dbraw/zinc/87/53/53/764875353.db2.gz BUPSCCRPWGTAKE-HOTGVXAUSA-N 1 1 329.400 0.547 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cn2)OCCC3)C1 ZINC001047611401 764875361 /nfs/dbraw/zinc/87/53/61/764875361.db2.gz BUPSCCRPWGTAKE-HOTGVXAUSA-N 1 1 329.400 0.547 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3nccc(C)n3n2)C1 ZINC001047618598 764897916 /nfs/dbraw/zinc/89/79/16/764897916.db2.gz HQOWYJBYTQJCNH-STQMWFEESA-N 1 1 330.392 0.126 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3nccc(C)n3n2)C1 ZINC001047618598 764897924 /nfs/dbraw/zinc/89/79/24/764897924.db2.gz HQOWYJBYTQJCNH-STQMWFEESA-N 1 1 330.392 0.126 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC001047619771 764901600 /nfs/dbraw/zinc/90/16/00/764901600.db2.gz YLUSLVCEJRVAHO-RYUDHWBXSA-N 1 1 344.337 0.429 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)CC2)n1 ZINC001052637201 764908184 /nfs/dbraw/zinc/90/81/84/764908184.db2.gz HEVFOASQMPNUGC-HNNXBMFYSA-N 1 1 339.403 0.866 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)n1 ZINC001052638183 764909567 /nfs/dbraw/zinc/90/95/67/764909567.db2.gz TYHSREWWKPQZFX-LLVKDONJSA-N 1 1 345.432 0.928 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001077485347 764968331 /nfs/dbraw/zinc/96/83/31/764968331.db2.gz PZVKJHRVNHNMMN-HZPDHXFCSA-N 1 1 343.431 0.952 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052671725 764972407 /nfs/dbraw/zinc/97/24/07/764972407.db2.gz HGEXIXQISKKEEY-AWEZNQCLSA-N 1 1 330.388 0.523 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001077485539 764979780 /nfs/dbraw/zinc/97/97/80/764979780.db2.gz ZQZWPESQHGSRJK-HUUCEWRRSA-N 1 1 329.404 0.562 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3csc(=O)[nH]3)C2)C1=O ZINC001015583955 765001620 /nfs/dbraw/zinc/00/16/20/765001620.db2.gz KVFBUXYUXPMHMI-PWSUYJOCSA-N 1 1 336.417 0.440 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3csc(=O)[nH]3)C2)C1=O ZINC001015583955 765001629 /nfs/dbraw/zinc/00/16/29/765001629.db2.gz KVFBUXYUXPMHMI-PWSUYJOCSA-N 1 1 336.417 0.440 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC001052699490 765005642 /nfs/dbraw/zinc/00/56/42/765005642.db2.gz XYJYIXKMCJRIPZ-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC001052699492 765006528 /nfs/dbraw/zinc/00/65/28/765006528.db2.gz XYJYIXKMCJRIPZ-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnnc3)CC2)C1=O ZINC001052742978 765058559 /nfs/dbraw/zinc/05/85/59/765058559.db2.gz RGSHZKJFHFBVHN-CVEARBPZSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CN(C)C(=O)COC ZINC001099102542 765070333 /nfs/dbraw/zinc/07/03/33/765070333.db2.gz NXHWSVDEXTYBAI-OAHLLOKOSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001052760806 765076039 /nfs/dbraw/zinc/07/60/39/765076039.db2.gz KCXYJKDQFZEVEI-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nonc3C)CC2)nn1 ZINC001052774925 765097996 /nfs/dbraw/zinc/09/79/96/765097996.db2.gz ODTCQOLDPHJNIM-CYBMUJFWSA-N 1 1 345.407 0.940 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3nonc3C)CC2)nn1 ZINC001052774925 765098006 /nfs/dbraw/zinc/09/80/06/765098006.db2.gz ODTCQOLDPHJNIM-CYBMUJFWSA-N 1 1 345.407 0.940 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)nn1 ZINC001052775710 765099510 /nfs/dbraw/zinc/09/95/10/765099510.db2.gz XCYOLHBAJZJQKF-DZGCQCFKSA-N 1 1 346.435 0.327 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CNS(=O)(=O)CC ZINC001099103033 765131364 /nfs/dbraw/zinc/13/13/64/765131364.db2.gz UKTKAEBCFJYCSH-ZDUSSCGKSA-N 1 1 329.466 0.166 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC001052795118 765134018 /nfs/dbraw/zinc/13/40/18/765134018.db2.gz HVTDALJMRPWELB-ZDUSSCGKSA-N 1 1 327.388 0.549 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)c1 ZINC001015679867 765151640 /nfs/dbraw/zinc/15/16/40/765151640.db2.gz OCYIZAOUQJKMSZ-DLBZAZTESA-N 1 1 339.399 0.125 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cccnn3)CC2)C1=O ZINC001052817079 765175407 /nfs/dbraw/zinc/17/54/07/765175407.db2.gz RRNQIUTUQLRRFP-GOEBONIOSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001015724214 765241203 /nfs/dbraw/zinc/24/12/03/765241203.db2.gz POVRULJRZJGVOV-ZIAGYGMSSA-N 1 1 331.420 0.618 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001015724214 765241207 /nfs/dbraw/zinc/24/12/07/765241207.db2.gz POVRULJRZJGVOV-ZIAGYGMSSA-N 1 1 331.420 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cn(C)nn3)CC2)nc1 ZINC001052873434 765271541 /nfs/dbraw/zinc/27/15/41/765271541.db2.gz CUMSEBIWWWENCT-OAHLLOKOSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cn(C)nn3)CC2)nc1 ZINC001052873434 765271544 /nfs/dbraw/zinc/27/15/44/765271544.db2.gz CUMSEBIWWWENCT-OAHLLOKOSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCS(C)(=O)=O)CC2)cn1 ZINC001052877369 765281624 /nfs/dbraw/zinc/28/16/24/765281624.db2.gz KHHMWKWURVUFPD-MRXNPFEDSA-N 1 1 349.456 0.692 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCS(C)(=O)=O)CC2)cn1 ZINC001052877369 765281629 /nfs/dbraw/zinc/28/16/29/765281629.db2.gz KHHMWKWURVUFPD-MRXNPFEDSA-N 1 1 349.456 0.692 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001052906187 765326869 /nfs/dbraw/zinc/32/68/69/765326869.db2.gz SNHANSOFDDKADG-LSDHHAIUSA-N 1 1 343.855 0.957 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001052929607 765367997 /nfs/dbraw/zinc/36/79/97/765367997.db2.gz NCIFKWUCKQISCM-LLVKDONJSA-N 1 1 340.811 0.823 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)nn1 ZINC001015812485 765372390 /nfs/dbraw/zinc/37/23/90/765372390.db2.gz DJNPUKHZLKKOIC-CQSZACIVSA-N 1 1 342.403 0.167 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000992073708 765379552 /nfs/dbraw/zinc/37/95/52/765379552.db2.gz AYRCUEFDKXDMLD-CVEARBPZSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001015821673 765384664 /nfs/dbraw/zinc/38/46/64/765384664.db2.gz ZEFXNBVIZFCZDV-AWEZNQCLSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001015821673 765384671 /nfs/dbraw/zinc/38/46/71/765384671.db2.gz ZEFXNBVIZFCZDV-AWEZNQCLSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001015821667 765385105 /nfs/dbraw/zinc/38/51/05/765385105.db2.gz ZCYPHZUPGAWBOQ-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001015821667 765385112 /nfs/dbraw/zinc/38/51/12/765385112.db2.gz ZCYPHZUPGAWBOQ-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO O=C(C[C@@H]1CCC(=O)N1)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015835618 765406424 /nfs/dbraw/zinc/40/64/24/765406424.db2.gz YKHPQBUWGFOLLE-IRXDYDNUSA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(C[C@@H]1CCC(=O)N1)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015835618 765406431 /nfs/dbraw/zinc/40/64/31/765406431.db2.gz YKHPQBUWGFOLLE-IRXDYDNUSA-N 1 1 325.412 0.897 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(CC(=O)N(C)C)CC2)CC1 ZINC001052957487 765412728 /nfs/dbraw/zinc/41/27/28/765412728.db2.gz FRSXXYGYNJRIEV-KRWDZBQOSA-N 1 1 348.491 0.391 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000992087591 765434747 /nfs/dbraw/zinc/43/47/47/765434747.db2.gz CEOWIRBDQYILNC-IUODEOHRSA-N 1 1 326.400 0.344 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001127232605 765443294 /nfs/dbraw/zinc/44/32/94/765443294.db2.gz DCKXVLUQKJWAKC-INIZCTEOSA-N 1 1 331.420 0.934 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN([C@H](C)C(N)=O)CC1 ZINC001052987593 765464353 /nfs/dbraw/zinc/46/43/53/765464353.db2.gz OZISAAHUFUYOJE-XOUADPBQSA-N 1 1 347.463 0.159 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001052989147 765467170 /nfs/dbraw/zinc/46/71/70/765467170.db2.gz ZPPRWVRZTJXQNK-ZFWWWQNUSA-N 1 1 334.420 0.605 20 30 ECEDMO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC#N)CC1)N(C)C ZINC001052989822 765467966 /nfs/dbraw/zinc/46/79/66/765467966.db2.gz YWHNWJJTQBXPKH-FGTMMUONSA-N 1 1 347.507 0.990 20 30 ECEDMO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1)N(C)C ZINC001052989822 765467967 /nfs/dbraw/zinc/46/79/67/765467967.db2.gz YWHNWJJTQBXPKH-FGTMMUONSA-N 1 1 347.507 0.990 20 30 ECEDMO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC#N)CC1)N(C)C ZINC001052993108 765471862 /nfs/dbraw/zinc/47/18/62/765471862.db2.gz YWHNWJJTQBXPKH-KSZLIROESA-N 1 1 347.507 0.990 20 30 ECEDMO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1)N(C)C ZINC001052993108 765471866 /nfs/dbraw/zinc/47/18/66/765471866.db2.gz YWHNWJJTQBXPKH-KSZLIROESA-N 1 1 347.507 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001053025492 765498356 /nfs/dbraw/zinc/49/83/56/765498356.db2.gz BZHBSZRMNJEXBK-HUUCEWRRSA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001053025492 765498357 /nfs/dbraw/zinc/49/83/57/765498357.db2.gz BZHBSZRMNJEXBK-HUUCEWRRSA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001053027866 765500852 /nfs/dbraw/zinc/50/08/52/765500852.db2.gz IMHURLGAZWZWDQ-IAGOWNOFSA-N 1 1 347.459 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC001053031428 765504641 /nfs/dbraw/zinc/50/46/41/765504641.db2.gz FWYAFCAQAQKWRB-HOTGVXAUSA-N 1 1 342.443 0.978 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001053032298 765506358 /nfs/dbraw/zinc/50/63/58/765506358.db2.gz NVFWUVFLKVGYSW-SJORKVTESA-N 1 1 346.475 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC001053051492 765527974 /nfs/dbraw/zinc/52/79/74/765527974.db2.gz NFSNZDVVULCZAV-CVEARBPZSA-N 1 1 342.443 0.978 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001053103002 765581332 /nfs/dbraw/zinc/58/13/32/765581332.db2.gz YSPWHTGCJLWYRW-LSDHHAIUSA-N 1 1 348.447 0.817 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001015968637 765637018 /nfs/dbraw/zinc/63/70/18/765637018.db2.gz FERITVIDUWKKSI-ZIAGYGMSSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001015968637 765637023 /nfs/dbraw/zinc/63/70/23/765637023.db2.gz FERITVIDUWKKSI-ZIAGYGMSSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001015968691 765638953 /nfs/dbraw/zinc/63/89/53/765638953.db2.gz GASMCOBEZCIXAM-KGLIPLIRSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001015968691 765638958 /nfs/dbraw/zinc/63/89/58/765638958.db2.gz GASMCOBEZCIXAM-KGLIPLIRSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+]([C@H](CC)C(N)=O)C1 ZINC001015969500 765639555 /nfs/dbraw/zinc/63/95/55/765639555.db2.gz UZERUGKTVFUFJY-QWHCGFSZSA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001015969500 765639559 /nfs/dbraw/zinc/63/95/59/765639559.db2.gz UZERUGKTVFUFJY-QWHCGFSZSA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnn(CC)c3)C2)C1=O ZINC001015976013 765651754 /nfs/dbraw/zinc/65/17/54/765651754.db2.gz ZPVJKBGSBVOUAD-JKSUJKDBSA-N 1 1 345.447 0.423 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cnn(CC)c3)C2)C1=O ZINC001015976013 765651759 /nfs/dbraw/zinc/65/17/59/765651759.db2.gz ZPVJKBGSBVOUAD-JKSUJKDBSA-N 1 1 345.447 0.423 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993170082 768309958 /nfs/dbraw/zinc/30/99/58/768309958.db2.gz MRBTVXKNOYQNFD-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993170082 768309968 /nfs/dbraw/zinc/30/99/68/768309968.db2.gz MRBTVXKNOYQNFD-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)[C@@H](O)C1 ZINC001083729563 768312706 /nfs/dbraw/zinc/31/27/06/768312706.db2.gz FDZQYNHFIGELDC-MCIONIFRSA-N 1 1 349.397 0.998 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016027126 765729954 /nfs/dbraw/zinc/72/99/54/765729954.db2.gz MVSFTPGLTSFURW-GJZGRUSLSA-N 1 1 342.399 0.536 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016027126 765729959 /nfs/dbraw/zinc/72/99/59/765729959.db2.gz MVSFTPGLTSFURW-GJZGRUSLSA-N 1 1 342.399 0.536 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)ccc1F ZINC000992165198 765730056 /nfs/dbraw/zinc/73/00/56/765730056.db2.gz ZQGJISXRBOVBRP-YOEHRIQHSA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)ccc1F ZINC000992165198 765730059 /nfs/dbraw/zinc/73/00/59/765730059.db2.gz ZQGJISXRBOVBRP-YOEHRIQHSA-N 1 1 330.363 0.796 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(c3nccnc3C#N)C[C@H]2C)CC[N@H+]1C ZINC001053209135 765766336 /nfs/dbraw/zinc/76/63/36/765766336.db2.gz DOTOGBWFTKBMAJ-KBUPBQIOSA-N 1 1 342.447 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001016109098 765792785 /nfs/dbraw/zinc/79/27/85/765792785.db2.gz ZEQXJJOJQNHCJS-HIFRSBDPSA-N 1 1 331.420 0.238 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001016109098 765792787 /nfs/dbraw/zinc/79/27/87/765792787.db2.gz ZEQXJJOJQNHCJS-HIFRSBDPSA-N 1 1 331.420 0.238 20 30 ECEDMO Cc1nsc(NC[C@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)c1C#N ZINC001106108796 765860515 /nfs/dbraw/zinc/86/05/15/765860515.db2.gz PMUWVTHWAYIJBP-CMPLNLGQSA-N 1 1 337.449 0.697 20 30 ECEDMO C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263658 765865062 /nfs/dbraw/zinc/86/50/62/765865062.db2.gz UASHZFZPXZRIFD-HOTGVXAUSA-N 1 1 335.448 0.339 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2nc(C)c[nH]2)C1 ZINC000992205060 765889441 /nfs/dbraw/zinc/88/94/41/765889441.db2.gz BYVKDKAKJWYLRG-NRXISQOPSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2nc(C)c[nH]2)C1 ZINC000992205060 765889447 /nfs/dbraw/zinc/88/94/47/765889447.db2.gz BYVKDKAKJWYLRG-NRXISQOPSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)C(C)(F)F)C1 ZINC000992205034 765889625 /nfs/dbraw/zinc/88/96/25/765889625.db2.gz BEUCISDGZPCMFH-BPCQOVAHSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)C(C)(F)F)C1 ZINC000992205034 765889630 /nfs/dbraw/zinc/88/96/30/765889630.db2.gz BEUCISDGZPCMFH-BPCQOVAHSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2conc2C)C1 ZINC000992207191 765897605 /nfs/dbraw/zinc/89/76/05/765897605.db2.gz JWHZSUQJOWRUPQ-XUJLQICISA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2conc2C)C1 ZINC000992207191 765897609 /nfs/dbraw/zinc/89/76/09/765897609.db2.gz JWHZSUQJOWRUPQ-XUJLQICISA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccon2)C1 ZINC000992208512 765902759 /nfs/dbraw/zinc/90/27/59/765902759.db2.gz QBOBKZRFACSRNY-PIMMBPRGSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccon2)C1 ZINC000992208512 765902767 /nfs/dbraw/zinc/90/27/67/765902767.db2.gz QBOBKZRFACSRNY-PIMMBPRGSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CCO2 ZINC001053287387 765910110 /nfs/dbraw/zinc/91/01/10/765910110.db2.gz WQMAGCDIHUNPKF-KRWDZBQOSA-N 1 1 347.459 0.176 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2noc(CC)n2)[C@H](C)C1 ZINC001106110652 765912130 /nfs/dbraw/zinc/91/21/30/765912130.db2.gz BQZCJGFPUCUZBZ-MGPQQGTHSA-N 1 1 334.420 0.854 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CCO2 ZINC001053304379 765939500 /nfs/dbraw/zinc/93/95/00/765939500.db2.gz ILURNFMZBOTYQR-DLBZAZTESA-N 1 1 331.460 0.940 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CCNc1ccnc(C#N)n1 ZINC001053386211 766064579 /nfs/dbraw/zinc/06/45/79/766064579.db2.gz JGHKJNZZUNFFDH-KFWWJZLASA-N 1 1 342.447 0.618 20 30 ECEDMO CN(C(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1)C1CC1 ZINC001007102729 766095407 /nfs/dbraw/zinc/09/54/07/766095407.db2.gz VJYYHDWJCGVVCR-CYBMUJFWSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1)C1CC1 ZINC001007102729 766095415 /nfs/dbraw/zinc/09/54/15/766095415.db2.gz VJYYHDWJCGVVCR-CYBMUJFWSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001089221686 766097123 /nfs/dbraw/zinc/09/71/23/766097123.db2.gz LYXRSAWXTSPQHB-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001089221686 766097129 /nfs/dbraw/zinc/09/71/29/766097129.db2.gz LYXRSAWXTSPQHB-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)[nH]1 ZINC001007102778 766101782 /nfs/dbraw/zinc/10/17/82/766101782.db2.gz VNLDUKWCOCAKGW-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)[nH]1 ZINC001007102778 766101788 /nfs/dbraw/zinc/10/17/88/766101788.db2.gz VNLDUKWCOCAKGW-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cn(C)c(=O)n(C)c3=O)CCC[C@@H]12 ZINC000992271844 766114327 /nfs/dbraw/zinc/11/43/27/766114327.db2.gz OBYGGHUPCYOCIP-RDTXWAMCSA-N 1 1 346.431 0.387 20 30 ECEDMO C=CCn1cc(C(=O)N2CCOC3(C[NH+](C[C@@H]4CCOC4)C3)C2)nn1 ZINC001053464093 766176342 /nfs/dbraw/zinc/17/63/42/766176342.db2.gz ZWNBSKHKMTWMSS-AWEZNQCLSA-N 1 1 347.419 0.027 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001016357143 766180488 /nfs/dbraw/zinc/18/04/88/766180488.db2.gz OKDCTKFRQCIZIU-NVXWUHKLSA-N 1 1 343.427 0.873 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001016357143 766180490 /nfs/dbraw/zinc/18/04/90/766180490.db2.gz OKDCTKFRQCIZIU-NVXWUHKLSA-N 1 1 343.427 0.873 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCCO)CC3)nn1 ZINC000992312420 766237574 /nfs/dbraw/zinc/23/75/74/766237574.db2.gz BLFXPAYZANNYAM-DOTOQJQBSA-N 1 1 333.436 0.963 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016420954 766267293 /nfs/dbraw/zinc/26/72/93/766267293.db2.gz YNLMKOZPERAXIW-NUYPLMSZSA-N 1 1 329.404 0.557 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001106127146 766284637 /nfs/dbraw/zinc/28/46/37/766284637.db2.gz USBDWEWWZVZGMQ-CYBMUJFWSA-N 1 1 343.391 0.257 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@@H]12 ZINC000992352815 766353954 /nfs/dbraw/zinc/35/39/54/766353954.db2.gz PUVQBOMIPOBJMN-QAPCUYQASA-N 1 1 328.416 0.607 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cscn3)C2)C1=O ZINC001015802209 766398594 /nfs/dbraw/zinc/39/85/94/766398594.db2.gz GIZWFFIQYMAVND-OCCSQVGLSA-N 1 1 334.445 0.663 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cscn3)C2)C1=O ZINC001015802209 766398601 /nfs/dbraw/zinc/39/86/01/766398601.db2.gz GIZWFFIQYMAVND-OCCSQVGLSA-N 1 1 334.445 0.663 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3n(n1)CCO3)O2 ZINC001053610352 766429070 /nfs/dbraw/zinc/42/90/70/766429070.db2.gz NGOZPQQFJJTUKD-CYBMUJFWSA-N 1 1 330.388 0.262 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(C)nc1CC)O2 ZINC001053613920 766434544 /nfs/dbraw/zinc/43/45/44/766434544.db2.gz PTDJAOBRRPZRFV-AWEZNQCLSA-N 1 1 330.432 0.969 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(OCC)n[nH]1)O2 ZINC001053614675 766436932 /nfs/dbraw/zinc/43/69/32/766436932.db2.gz NGDXPYXCGPQKJM-ZDUSSCGKSA-N 1 1 332.404 0.795 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)nn1 ZINC001045861598 766441230 /nfs/dbraw/zinc/44/12/30/766441230.db2.gz VYMTZHNUSLAPIA-VNHYZAJKSA-N 1 1 344.419 0.032 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1n[nH]c3c1CCC3)O2 ZINC001053621573 766457883 /nfs/dbraw/zinc/45/78/83/766457883.db2.gz HYISMTTUWOKEEJ-CYBMUJFWSA-N 1 1 328.416 0.885 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc3ncnn31)O2 ZINC001053627257 766471582 /nfs/dbraw/zinc/47/15/82/766471582.db2.gz RYFBZWNEIDCORI-AWEZNQCLSA-N 1 1 339.399 0.716 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ncc(OC)cn1)O2 ZINC001053630107 766477006 /nfs/dbraw/zinc/47/70/06/766477006.db2.gz GVKMKOUJOGVYIO-ZDUSSCGKSA-N 1 1 330.388 0.472 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CN=NC1=O)C2 ZINC001045928950 766500335 /nfs/dbraw/zinc/50/03/35/766500335.db2.gz BPXPMIXROZBZLN-KRWDZBQOSA-N 1 1 331.420 0.712 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc(=O)n(C)cn1)C2 ZINC001045945297 766515306 /nfs/dbraw/zinc/51/53/06/766515306.db2.gz QVHUWXCIYXMPJG-GOSISDBHSA-N 1 1 328.416 0.732 20 30 ECEDMO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)O2 ZINC001053654608 766520667 /nfs/dbraw/zinc/52/06/67/766520667.db2.gz RBSZZWGUZNIRKL-NVXWUHKLSA-N 1 1 342.443 0.737 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 ZINC001045956608 766526819 /nfs/dbraw/zinc/52/68/19/766526819.db2.gz QNDXUFMSMWDOBY-YJBOKZPZSA-N 1 1 332.448 0.738 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001045956871 766527233 /nfs/dbraw/zinc/52/72/33/766527233.db2.gz VDTQIEAXZHWGIE-GOSISDBHSA-N 1 1 334.464 0.309 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@H]12 ZINC000992426592 766540702 /nfs/dbraw/zinc/54/07/02/766540702.db2.gz JWROPCLLWIQHSX-GUYCJALGSA-N 1 1 332.404 0.065 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@H]12 ZINC000992428579 766548862 /nfs/dbraw/zinc/54/88/62/766548862.db2.gz MQHDJUGVGUPCFM-GUYCJALGSA-N 1 1 332.404 0.065 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@H]2CCOC2)C1 ZINC001016592217 766555259 /nfs/dbraw/zinc/55/52/59/766555259.db2.gz QQQYJBFBALQEQG-LBDPXKHJSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@H]2CCOC2)C1 ZINC001016592217 766555262 /nfs/dbraw/zinc/55/52/62/766555262.db2.gz QQQYJBFBALQEQG-LBDPXKHJSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001045984382 766556116 /nfs/dbraw/zinc/55/61/16/766556116.db2.gz ZZQZGKPVPKRCHD-GOSISDBHSA-N 1 1 346.431 0.218 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001045985678 766557528 /nfs/dbraw/zinc/55/75/28/766557528.db2.gz ZRVJJVLEGLNZHX-PKOBYXMFSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cn3nc4n(c3=O)CCCC4)CCC[C@@H]12 ZINC000992435598 766562742 /nfs/dbraw/zinc/56/27/42/766562742.db2.gz VWQFTEKGLYEPRM-RDTXWAMCSA-N 1 1 343.431 0.128 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(OC)nn1)O2 ZINC001053683873 766579425 /nfs/dbraw/zinc/57/94/25/766579425.db2.gz XCUQPZRJHZKANJ-ZDUSSCGKSA-N 1 1 330.388 0.472 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCN1C(C)=O)O2 ZINC001053692078 766600521 /nfs/dbraw/zinc/60/05/21/766600521.db2.gz JGWAETGDPRNUGS-HOTGVXAUSA-N 1 1 333.432 0.370 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCCc3nc(C)no3)C[C@@H]2O)C1 ZINC001083762321 766619092 /nfs/dbraw/zinc/61/90/92/766619092.db2.gz HEBYXNIOLHLYBI-KGLIPLIRSA-N 1 1 334.420 0.828 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@@H]2O)C1 ZINC001083762321 766619101 /nfs/dbraw/zinc/61/91/01/766619101.db2.gz HEBYXNIOLHLYBI-KGLIPLIRSA-N 1 1 334.420 0.828 20 30 ECEDMO C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)O2 ZINC001053700412 766619793 /nfs/dbraw/zinc/61/97/93/766619793.db2.gz UHCAPACFQUUKMS-CVEARBPZSA-N 1 1 337.464 0.633 20 30 ECEDMO C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700412 766619799 /nfs/dbraw/zinc/61/97/99/766619799.db2.gz UHCAPACFQUUKMS-CVEARBPZSA-N 1 1 337.464 0.633 20 30 ECEDMO Cc1conc1C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011951 766638106 /nfs/dbraw/zinc/63/81/06/766638106.db2.gz JITBLXOCKCIUIO-DZGCQCFKSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1conc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011951 766638111 /nfs/dbraw/zinc/63/81/11/766638111.db2.gz JITBLXOCKCIUIO-DZGCQCFKSA-N 1 1 331.420 0.861 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 ZINC001046012680 766640066 /nfs/dbraw/zinc/64/00/66/766640066.db2.gz BECWBSALECUSAY-IAGOWNOFSA-N 1 1 336.480 0.112 20 30 ECEDMO Cc1cnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)cn1 ZINC001046013177 766640968 /nfs/dbraw/zinc/64/09/68/766640968.db2.gz UIKROKNIXZMGDZ-WMLDXEAASA-N 1 1 342.447 0.663 20 30 ECEDMO Cc1cnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)cn1 ZINC001046013177 766640975 /nfs/dbraw/zinc/64/09/75/766640975.db2.gz UIKROKNIXZMGDZ-WMLDXEAASA-N 1 1 342.447 0.663 20 30 ECEDMO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046013156 766641222 /nfs/dbraw/zinc/64/12/22/766641222.db2.gz TZKZBCDANFFKQW-RHSMWYFYSA-N 1 1 344.463 0.607 20 30 ECEDMO COC[C@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046020347 766662575 /nfs/dbraw/zinc/66/25/75/766662575.db2.gz QUQJMMKWEBFUCX-GOEBONIOSA-N 1 1 345.447 0.753 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3N)CC2)C1 ZINC001046022453 766668527 /nfs/dbraw/zinc/66/85/27/766668527.db2.gz ROIRRBAMEHLQGZ-CQSZACIVSA-N 1 1 332.452 0.411 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212262146 766669892 /nfs/dbraw/zinc/66/98/92/766669892.db2.gz DPAGRSUIHGQREP-QZTJIDSGSA-N 1 1 341.411 0.914 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212262146 766669897 /nfs/dbraw/zinc/66/98/97/766669897.db2.gz DPAGRSUIHGQREP-QZTJIDSGSA-N 1 1 341.411 0.914 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046028412 766691259 /nfs/dbraw/zinc/69/12/59/766691259.db2.gz BLSVLTNMGBOVOU-ZDUSSCGKSA-N 1 1 338.843 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046028412 766691263 /nfs/dbraw/zinc/69/12/63/766691263.db2.gz BLSVLTNMGBOVOU-ZDUSSCGKSA-N 1 1 338.843 0.400 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnnn3CC)CC2)C1 ZINC001046028427 766691830 /nfs/dbraw/zinc/69/18/30/766691830.db2.gz BTYUVCZTLGGUAN-HNNXBMFYSA-N 1 1 330.436 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnoc2C2CC2)C1 ZINC000994749729 766692619 /nfs/dbraw/zinc/69/26/19/766692619.db2.gz CZAZGOCWIGXWCT-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnoc2C2CC2)C1 ZINC000994749729 766692621 /nfs/dbraw/zinc/69/26/21/766692621.db2.gz CZAZGOCWIGXWCT-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnccc2C)C1 ZINC000994749933 766693806 /nfs/dbraw/zinc/69/38/06/766693806.db2.gz FMDVEXOEIKNHHG-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnccc2C)C1 ZINC000994749933 766693815 /nfs/dbraw/zinc/69/38/15/766693815.db2.gz FMDVEXOEIKNHHG-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2sccc2OC)C1 ZINC000994751100 766696091 /nfs/dbraw/zinc/69/60/91/766696091.db2.gz MLAUCSFDIFMNAF-ZDUSSCGKSA-N 1 1 347.440 0.795 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2sccc2OC)C1 ZINC000994751100 766696096 /nfs/dbraw/zinc/69/60/96/766696096.db2.gz MLAUCSFDIFMNAF-ZDUSSCGKSA-N 1 1 347.440 0.795 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC001046032225 766704683 /nfs/dbraw/zinc/70/46/83/766704683.db2.gz GDKWWENCDFAJKF-SJORKVTESA-N 1 1 348.491 0.648 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ccnn3C)CC2)C1 ZINC001046033213 766707983 /nfs/dbraw/zinc/70/79/83/766707983.db2.gz AZUQSRKGDGHEBT-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCn3ccccc3=O)CC2)C1 ZINC001046033179 766708927 /nfs/dbraw/zinc/70/89/27/766708927.db2.gz ABKKZSHMIKTAAP-KRWDZBQOSA-N 1 1 344.459 0.643 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC001046034201 766713360 /nfs/dbraw/zinc/71/33/60/766713360.db2.gz RHZWJCIRVQOFPL-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ccn(C)n3)CC2)C1 ZINC001046034694 766716753 /nfs/dbraw/zinc/71/67/53/766716753.db2.gz XTODLFXVOLMXOO-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CCC)n[nH]2)C1 ZINC000994756422 766719950 /nfs/dbraw/zinc/71/99/50/766719950.db2.gz XBMGHPRGGPIEIQ-INIZCTEOSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CCC)n[nH]2)C1 ZINC000994756422 766719959 /nfs/dbraw/zinc/71/99/59/766719959.db2.gz XBMGHPRGGPIEIQ-INIZCTEOSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC=C)C2)CC1 ZINC001046036115 766723574 /nfs/dbraw/zinc/72/35/74/766723574.db2.gz AOSDBSFPKKXXNG-ROUUACIJSA-N 1 1 330.476 0.489 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nnn3CC)CC2)C1 ZINC001046036025 766724419 /nfs/dbraw/zinc/72/44/19/766724419.db2.gz YYRVMDMQKFQXCF-INIZCTEOSA-N 1 1 344.463 0.462 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccccc2C)C1 ZINC000994756208 766725198 /nfs/dbraw/zinc/72/51/98/766725198.db2.gz VPNJSYQNHZPCGQ-SFHVURJKSA-N 1 1 339.439 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccccc2C)C1 ZINC000994756208 766725202 /nfs/dbraw/zinc/72/52/02/766725202.db2.gz VPNJSYQNHZPCGQ-SFHVURJKSA-N 1 1 339.439 0.962 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cn(C)nc3C)CC2)C1 ZINC001046036401 766727153 /nfs/dbraw/zinc/72/71/53/766727153.db2.gz JAHWUVNIMWFLRX-QGZVFWFLSA-N 1 1 331.464 0.676 20 30 ECEDMO CNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001089630555 766729073 /nfs/dbraw/zinc/72/90/73/766729073.db2.gz MQTWOXLVBXVMDD-CYBMUJFWSA-N 1 1 331.420 0.853 20 30 ECEDMO CNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001089630555 766729078 /nfs/dbraw/zinc/72/90/78/766729078.db2.gz MQTWOXLVBXVMDD-CYBMUJFWSA-N 1 1 331.420 0.853 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cn(C)nc3C)CC2)C1 ZINC001046036751 766730036 /nfs/dbraw/zinc/73/00/36/766730036.db2.gz OJHFSWRTWVGLBC-GOSISDBHSA-N 1 1 343.475 0.513 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046037546 766733981 /nfs/dbraw/zinc/73/39/81/766733981.db2.gz RVCYQZSTPYYMGT-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)COc3cc(C)on3)CC2)C1 ZINC001046037566 766734215 /nfs/dbraw/zinc/73/42/15/766734215.db2.gz SLJOIOBHVMGIRD-HNNXBMFYSA-N 1 1 334.420 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)COC)C[C@]2(C)C1 ZINC000992504351 766735359 /nfs/dbraw/zinc/73/53/59/766735359.db2.gz KIFGEMHPJZKJKX-RLFYNMQTSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)COC)C[C@]2(C)C1 ZINC000992504351 766735365 /nfs/dbraw/zinc/73/53/65/766735365.db2.gz KIFGEMHPJZKJKX-RLFYNMQTSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(F)F)ncn3)CC2)C1 ZINC001046037852 766736172 /nfs/dbraw/zinc/73/61/72/766736172.db2.gz ATJHQAMXGGFSJK-CYBMUJFWSA-N 1 1 349.385 0.880 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OCC)n[nH]3)CC2)C1 ZINC001046038668 766739764 /nfs/dbraw/zinc/73/97/64/766739764.db2.gz HPHNIXBZUKCFOK-HNNXBMFYSA-N 1 1 345.447 0.664 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4nccn4C3)CC2)C1 ZINC001046040220 766745428 /nfs/dbraw/zinc/74/54/28/766745428.db2.gz HFFLBDQPGAOKPW-IAGOWNOFSA-N 1 1 341.459 0.297 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2N(CC(=O)NC)CC3)CC1 ZINC000992513488 766752580 /nfs/dbraw/zinc/75/25/80/766752580.db2.gz VVMRNEDXQGXNIY-LPHOPBHVSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)C1 ZINC001046041657 766752739 /nfs/dbraw/zinc/75/27/39/766752739.db2.gz LSCDFZPVZRXTEB-HKUYNNGSSA-N 1 1 339.439 0.842 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)n(C)n3)CC2)C1 ZINC001046044188 766766177 /nfs/dbraw/zinc/76/61/77/766766177.db2.gz JSVBQUZRSLIDES-CQSZACIVSA-N 1 1 333.436 0.447 20 30 ECEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@H](OC)C1 ZINC001212264999 766766326 /nfs/dbraw/zinc/76/63/26/766766326.db2.gz WULJBGHLITXLFZ-HUUCEWRRSA-N 1 1 338.452 0.573 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC001046044220 766766635 /nfs/dbraw/zinc/76/66/35/766766635.db2.gz KTMNMBWXOFFSHG-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncc(OC)cn3)CC2)C1 ZINC001046044650 766767857 /nfs/dbraw/zinc/76/78/57/766767857.db2.gz NRRHALJROSAWKP-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4cncn4c3)CC2)C1 ZINC001046044459 766767875 /nfs/dbraw/zinc/76/78/75/766767875.db2.gz XLYPEPKWTTZPOT-GOSISDBHSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4cncn4c3)CC2)C1 ZINC001046044459 766767876 /nfs/dbraw/zinc/76/78/76/766767876.db2.gz XLYPEPKWTTZPOT-GOSISDBHSA-N 1 1 337.427 0.800 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC001046045282 766770562 /nfs/dbraw/zinc/77/05/62/766770562.db2.gz VSKYTFMLHCFRMU-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3n[nH]nc3C)CC2)C1 ZINC001046051235 766790556 /nfs/dbraw/zinc/79/05/56/766790556.db2.gz ZFPYVWKDGAQWRS-OAHLLOKOSA-N 1 1 332.452 0.911 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3[nH]nnc3C)CC2)C1 ZINC001046051235 766790561 /nfs/dbraw/zinc/79/05/61/766790561.db2.gz ZFPYVWKDGAQWRS-OAHLLOKOSA-N 1 1 332.452 0.911 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3[nH]nnc3C)CC2)C1 ZINC001046051235 766790566 /nfs/dbraw/zinc/79/05/66/766790566.db2.gz ZFPYVWKDGAQWRS-OAHLLOKOSA-N 1 1 332.452 0.911 20 30 ECEDMO CC[C@@H](C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C#N)[nH]1)CO2)OC ZINC001053773971 766806444 /nfs/dbraw/zinc/80/64/44/766806444.db2.gz QOACBJCYEBACSC-KBPBESRZSA-N 1 1 332.404 0.884 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(c4cc(C)no4)CC3)CC2)C1 ZINC001046056885 766812921 /nfs/dbraw/zinc/81/29/21/766812921.db2.gz VPZLOEFNFHFXAQ-MRXNPFEDSA-N 1 1 342.443 0.866 20 30 ECEDMO C=C1CCC(C(=O)N2CCN([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)CC1 ZINC001046058438 766819334 /nfs/dbraw/zinc/81/93/34/766819334.db2.gz JZMKUNZVSWRXTK-MRXNPFEDSA-N 1 1 334.464 0.437 20 30 ECEDMO C=C1CCC(C(=O)N2CCN([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)CC1 ZINC001046058438 766819339 /nfs/dbraw/zinc/81/93/39/766819339.db2.gz JZMKUNZVSWRXTK-MRXNPFEDSA-N 1 1 334.464 0.437 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc4nonc4c3)CC2)C1 ZINC001046059120 766819742 /nfs/dbraw/zinc/81/97/42/766819742.db2.gz ZLLRHWJSXWRNLA-HNNXBMFYSA-N 1 1 339.399 0.688 20 30 ECEDMO CC[C@@H](C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(C#N)c1)CO2)OC ZINC001053780316 766820159 /nfs/dbraw/zinc/82/01/59/766820159.db2.gz GYWYHHBDGIQBRR-CABCVRRESA-N 1 1 332.404 0.884 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@@H]3CC[N@H+]([C@@H](CC)C(N)=O)C3)CC2)C1 ZINC001046059166 766821198 /nfs/dbraw/zinc/82/11/98/766821198.db2.gz AYHCZLRHVOIYDE-CVEARBPZSA-N 1 1 348.491 0.825 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1 ZINC001046060505 766826166 /nfs/dbraw/zinc/82/61/66/766826166.db2.gz DEHJPRLCWHYENT-CQSZACIVSA-N 1 1 333.436 0.534 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001046060505 766826172 /nfs/dbraw/zinc/82/61/72/766826172.db2.gz DEHJPRLCWHYENT-CQSZACIVSA-N 1 1 333.436 0.534 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001046060505 766826181 /nfs/dbraw/zinc/82/61/81/766826181.db2.gz DEHJPRLCWHYENT-CQSZACIVSA-N 1 1 333.436 0.534 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)cc3C)CC2)C1 ZINC001046062977 766835559 /nfs/dbraw/zinc/83/55/59/766835559.db2.gz XKKUZVPFJCSTBA-OAHLLOKOSA-N 1 1 328.416 0.561 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC001046064427 766844825 /nfs/dbraw/zinc/84/48/25/766844825.db2.gz NIUZIAQDUBHXGX-ZDUSSCGKSA-N 1 1 331.420 0.132 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3Cc4ccncc4C3)CC2)C1 ZINC001046064707 766846354 /nfs/dbraw/zinc/84/63/54/766846354.db2.gz RYJYADCRJBMEOE-MJGOQNOKSA-N 1 1 338.455 0.648 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1 ZINC001046066558 766855361 /nfs/dbraw/zinc/85/53/61/766855361.db2.gz GKQWZTMRMXVYDG-OKZBNKHCSA-N 1 1 341.459 0.375 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1 ZINC001046066557 766855596 /nfs/dbraw/zinc/85/55/96/766855596.db2.gz GKQWZTMRMXVYDG-FGTMMUONSA-N 1 1 341.459 0.375 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(COC)on3)CC2)C1 ZINC001046068387 766862631 /nfs/dbraw/zinc/86/26/31/766862631.db2.gz KWTGXRLBMBDZNW-OAHLLOKOSA-N 1 1 346.431 0.676 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(COC)on3)CC2)C1 ZINC001046068702 766863707 /nfs/dbraw/zinc/86/37/07/766863707.db2.gz RIORUHUXENGMHL-CQSZACIVSA-N 1 1 334.420 0.839 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cn[nH]c3)CC2)C1 ZINC001046068887 766865115 /nfs/dbraw/zinc/86/51/15/766865115.db2.gz WNVXFIAVYGOHQL-KRWDZBQOSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cn(C)nc3C)CC2)C1 ZINC001046070151 766871542 /nfs/dbraw/zinc/87/15/42/766871542.db2.gz MCDUFWQEJBUFJP-SFHVURJKSA-N 1 1 343.475 0.513 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H]3CC)CC2)C1 ZINC001046074811 766891611 /nfs/dbraw/zinc/89/16/11/766891611.db2.gz HLBDGLGIYLMOJI-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)CO2 ZINC001053807163 766897881 /nfs/dbraw/zinc/89/78/81/766897881.db2.gz CKWFDNATMWDLTF-GFCCVEGCSA-N 1 1 334.424 0.577 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)CC2)C1 ZINC001046075702 766899666 /nfs/dbraw/zinc/89/96/66/766899666.db2.gz XNQIXKDHLVTEOT-FUHWJXTLSA-N 1 1 343.475 0.450 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc(OC)n3)CC2)C1 ZINC001046076027 766901382 /nfs/dbraw/zinc/90/13/82/766901382.db2.gz AMRKXDOKKQPOIA-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)COc3ccsc3)CC2)C1 ZINC001046076516 766903982 /nfs/dbraw/zinc/90/39/82/766903982.db2.gz NPJYHAJZIOPMGV-HNNXBMFYSA-N 1 1 333.457 0.979 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC001046077842 766909205 /nfs/dbraw/zinc/90/92/05/766909205.db2.gz FBZFWWURJIGWNN-OAHLLOKOSA-N 1 1 330.432 0.403 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](CC#CC)C3)CC2)cn1 ZINC001046079384 766912767 /nfs/dbraw/zinc/91/27/67/766912767.db2.gz VAHOEHZALRGBDD-IBGZPJMESA-N 1 1 336.439 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cnco2)C1 ZINC001016785409 766914293 /nfs/dbraw/zinc/91/42/93/766914293.db2.gz FXEOCACCWCIWRO-RUXDESIVSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cnco2)C1 ZINC001016785409 766914297 /nfs/dbraw/zinc/91/42/97/766914297.db2.gz FXEOCACCWCIWRO-RUXDESIVSA-N 1 1 330.388 0.491 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC001046080168 766915066 /nfs/dbraw/zinc/91/50/66/766915066.db2.gz AZOCCTXHHDSBLQ-OAHLLOKOSA-N 1 1 345.447 0.284 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046080463 766916713 /nfs/dbraw/zinc/91/67/13/766916713.db2.gz HRBQBTKOAFPVDG-MSOLQXFVSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC001046082107 766921003 /nfs/dbraw/zinc/92/10/03/766921003.db2.gz NJSGPKJVBQKZKB-QGZVFWFLSA-N 1 1 342.443 0.090 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC001046086526 766928543 /nfs/dbraw/zinc/92/85/43/766928543.db2.gz JMEQKPQCSUCQBW-DOTOQJQBSA-N 1 1 331.464 0.928 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046086538 766928653 /nfs/dbraw/zinc/92/86/53/766928653.db2.gz WIJAOHJCMNGURX-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)C1 ZINC001046088797 766931044 /nfs/dbraw/zinc/93/10/44/766931044.db2.gz VPQVQZDBHSBAGW-CVEARBPZSA-N 1 1 349.479 0.324 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)CO2 ZINC001053820698 766934278 /nfs/dbraw/zinc/93/42/78/766934278.db2.gz JSQITBLMQIMFNT-KBPBESRZSA-N 1 1 349.431 0.450 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cn(C(C)C)nn2)C1 ZINC001031741151 766987625 /nfs/dbraw/zinc/98/76/25/766987625.db2.gz PKRWVIJLNRTUHW-KRWDZBQOSA-N 1 1 344.463 0.505 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cn(C(C)C)nn2)C1 ZINC001031741151 766987633 /nfs/dbraw/zinc/98/76/33/766987633.db2.gz PKRWVIJLNRTUHW-KRWDZBQOSA-N 1 1 344.463 0.505 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](Cc1cnnn1C)CC2 ZINC001016833939 767015248 /nfs/dbraw/zinc/01/52/48/767015248.db2.gz VWMGDYVEEWUQFH-OWCLPIDISA-N 1 1 345.447 0.877 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3cncn3C1)CO2 ZINC001053852714 767024468 /nfs/dbraw/zinc/02/44/68/767024468.db2.gz PDLJMVBDMRMFHC-GJZGRUSLSA-N 1 1 330.432 0.981 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001078272334 782599240 /nfs/dbraw/zinc/59/92/40/782599240.db2.gz RTKNGMZCFYQQIU-ZIAGYGMSSA-N 1 1 328.376 0.013 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001078272334 782599248 /nfs/dbraw/zinc/59/92/48/782599248.db2.gz RTKNGMZCFYQQIU-ZIAGYGMSSA-N 1 1 328.376 0.013 20 30 ECEDMO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001046219149 767084543 /nfs/dbraw/zinc/08/45/43/767084543.db2.gz ATQQBFFIBIIADC-KRWDZBQOSA-N 1 1 329.404 0.703 20 30 ECEDMO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001046219149 767084551 /nfs/dbraw/zinc/08/45/51/767084551.db2.gz ATQQBFFIBIIADC-KRWDZBQOSA-N 1 1 329.404 0.703 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001078272331 782598081 /nfs/dbraw/zinc/59/80/81/782598081.db2.gz RLNFIQNOYSNVHB-HUUCEWRRSA-N 1 1 342.403 0.403 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nncn3CC1)CO2 ZINC001053873955 767100127 /nfs/dbraw/zinc/10/01/27/767100127.db2.gz OGJDIVRFDBENMM-GJZGRUSLSA-N 1 1 345.447 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2nocc2C)C1 ZINC000938755864 767106809 /nfs/dbraw/zinc/10/68/09/767106809.db2.gz ATUYBOUXMFXLBH-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2nocc2C)C1 ZINC000938755864 767106810 /nfs/dbraw/zinc/10/68/10/767106810.db2.gz ATUYBOUXMFXLBH-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccnn2C)C1 ZINC000938756463 767107127 /nfs/dbraw/zinc/10/71/27/767107127.db2.gz PNZZRHRKERFMIF-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccnn2C)C1 ZINC000938756463 767107128 /nfs/dbraw/zinc/10/71/28/767107128.db2.gz PNZZRHRKERFMIF-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046288285 767129065 /nfs/dbraw/zinc/12/90/65/767129065.db2.gz NFVWNOIGXVTVAM-WMLDXEAASA-N 1 1 328.372 0.747 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046288285 767129066 /nfs/dbraw/zinc/12/90/66/767129066.db2.gz NFVWNOIGXVTVAM-WMLDXEAASA-N 1 1 328.372 0.747 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046288619 767129321 /nfs/dbraw/zinc/12/93/21/767129321.db2.gz PKKGCYPRDWXROB-YOEHRIQHSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046288619 767129322 /nfs/dbraw/zinc/12/93/22/767129322.db2.gz PKKGCYPRDWXROB-YOEHRIQHSA-N 1 1 346.362 0.886 20 30 ECEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001089733966 767134622 /nfs/dbraw/zinc/13/46/22/767134622.db2.gz DMZZJVUXAXLJCK-ZDUSSCGKSA-N 1 1 348.451 0.560 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001089732524 767136109 /nfs/dbraw/zinc/13/61/09/767136109.db2.gz VMVHXBKUAOUVHK-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001089734790 767136719 /nfs/dbraw/zinc/13/67/19/767136719.db2.gz XOTDMKDTMKWQII-CQSZACIVSA-N 1 1 332.448 0.968 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1CC(F)F ZINC001127604559 767140361 /nfs/dbraw/zinc/14/03/61/767140361.db2.gz GQSJUFJXTVGPQB-NEPJUHHUSA-N 1 1 343.378 0.730 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCn2cncn2)C1 ZINC001046328126 767151503 /nfs/dbraw/zinc/15/15/03/767151503.db2.gz VRJQBOGNPKZYEL-VYDXJSESSA-N 1 1 333.436 0.840 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077565361 767155605 /nfs/dbraw/zinc/15/56/05/767155605.db2.gz FJXQJXYIBBWWLO-MCIONIFRSA-N 1 1 331.844 0.009 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077565361 767155607 /nfs/dbraw/zinc/15/56/07/767155607.db2.gz FJXQJXYIBBWWLO-MCIONIFRSA-N 1 1 331.844 0.009 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001046408074 767202183 /nfs/dbraw/zinc/20/21/83/767202183.db2.gz RTYYPOOLSQBWTI-DYVFJYSZSA-N 1 1 345.403 0.163 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000994898860 767209893 /nfs/dbraw/zinc/20/98/93/767209893.db2.gz DSAKJCXHGRVIBD-WDEREUQCSA-N 1 1 328.380 0.098 20 30 ECEDMO Cn1ncnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805668 767233674 /nfs/dbraw/zinc/23/36/74/767233674.db2.gz KYGUQPIIXXUMPC-HZMVEIRTSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1ncnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805668 767233675 /nfs/dbraw/zinc/23/36/75/767233675.db2.gz KYGUQPIIXXUMPC-HZMVEIRTSA-N 1 1 339.443 0.897 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CS(=O)(=O)C1 ZINC001089806635 767234173 /nfs/dbraw/zinc/23/41/73/767234173.db2.gz RJADYCBJSBHSCD-HNKHHVNMSA-N 1 1 336.457 0.223 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccnnc3C)C2)C1=O ZINC001046457039 767239166 /nfs/dbraw/zinc/23/91/66/767239166.db2.gz WNEJNJHKBSQKTI-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccnnc3C)C2)C1=O ZINC001046457039 767239168 /nfs/dbraw/zinc/23/91/68/767239168.db2.gz WNEJNJHKBSQKTI-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001046510973 767269946 /nfs/dbraw/zinc/26/99/46/767269946.db2.gz ZKMYDSRXOBIBSN-QGZVFWFLSA-N 1 1 327.388 0.549 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001046510973 767269950 /nfs/dbraw/zinc/26/99/50/767269950.db2.gz ZKMYDSRXOBIBSN-QGZVFWFLSA-N 1 1 327.388 0.549 20 30 ECEDMO C=C(C)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053903903 767308943 /nfs/dbraw/zinc/30/89/43/767308943.db2.gz ALPBWLDJICSAPL-HZPDHXFCSA-N 1 1 337.464 0.631 20 30 ECEDMO C=C(C)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053903903 767308949 /nfs/dbraw/zinc/30/89/49/767308949.db2.gz ALPBWLDJICSAPL-HZPDHXFCSA-N 1 1 337.464 0.631 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089819842 767309214 /nfs/dbraw/zinc/30/92/14/767309214.db2.gz JAHQFSZRZMAKNY-JJXSEGSLSA-N 1 1 333.432 0.200 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053904553 767312665 /nfs/dbraw/zinc/31/26/65/767312665.db2.gz PPRFAUADBOUCHM-HOTGVXAUSA-N 1 1 335.448 0.078 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053904553 767312671 /nfs/dbraw/zinc/31/26/71/767312671.db2.gz PPRFAUADBOUCHM-HOTGVXAUSA-N 1 1 335.448 0.078 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908376 767329812 /nfs/dbraw/zinc/32/98/12/767329812.db2.gz RDTPMDGFAVXHQS-CVEARBPZSA-N 1 1 342.443 0.737 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046585621 767335266 /nfs/dbraw/zinc/33/52/66/767335266.db2.gz HJVNGTWLUWIHNN-WMLDXEAASA-N 1 1 327.388 0.320 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC001046605691 767356670 /nfs/dbraw/zinc/35/66/70/767356670.db2.gz WTLIBRLDODRILX-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO N#CCN1CC2(C1)C[C@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)CO2 ZINC001053923986 767370238 /nfs/dbraw/zinc/37/02/38/767370238.db2.gz HNIHKTIZMZJAME-ZDUSSCGKSA-N 1 1 345.403 0.367 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNc2cccc(F)c2C#N)CC[N@H+]1C ZINC001106152734 767384549 /nfs/dbraw/zinc/38/45/49/767384549.db2.gz GNXQMLIXDDCQNF-JHJVBQTASA-N 1 1 334.395 0.927 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2oncc2C)C1 ZINC001016967358 767406298 /nfs/dbraw/zinc/40/62/98/767406298.db2.gz PMIHQYKQEQGMDC-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2oncc2C)C1 ZINC001016967358 767406303 /nfs/dbraw/zinc/40/63/03/767406303.db2.gz PMIHQYKQEQGMDC-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001106157706 767421968 /nfs/dbraw/zinc/42/19/68/767421968.db2.gz IYGPKTDOQAITML-KGLIPLIRSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(C(N)=O)cn2C)C1 ZINC001089836272 767431942 /nfs/dbraw/zinc/43/19/42/767431942.db2.gz YTUSKHSOMCNPGA-TUUVXOQKSA-N 1 1 340.427 0.540 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2n[nH]cc2F)C1 ZINC001016981879 767434884 /nfs/dbraw/zinc/43/48/84/767434884.db2.gz BJZJPFXCIDCQKD-YIZWMMSDSA-N 1 1 347.394 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2n[nH]cc2F)C1 ZINC001016981879 767434889 /nfs/dbraw/zinc/43/48/89/767434889.db2.gz BJZJPFXCIDCQKD-YIZWMMSDSA-N 1 1 347.394 0.366 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001046672538 767454684 /nfs/dbraw/zinc/45/46/84/767454684.db2.gz VXNMXUKYCRJHHK-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001046689750 767486206 /nfs/dbraw/zinc/48/62/06/767486206.db2.gz NUBOXURACYHHPH-GUYCJALGSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001046689750 767486210 /nfs/dbraw/zinc/48/62/10/767486210.db2.gz NUBOXURACYHHPH-GUYCJALGSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001046692047 767492032 /nfs/dbraw/zinc/49/20/32/767492032.db2.gz OCXXVKMRKQTETJ-GJZGRUSLSA-N 1 1 349.475 0.620 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCCN(C)C1=O)CO2 ZINC001053980708 767520970 /nfs/dbraw/zinc/52/09/70/767520970.db2.gz BVQBOSAVFCDCBL-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001046753558 767590402 /nfs/dbraw/zinc/59/04/02/767590402.db2.gz ZSPNQHPLDYIDJJ-BPUTZDHNSA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001046753558 767590405 /nfs/dbraw/zinc/59/04/05/767590405.db2.gz ZSPNQHPLDYIDJJ-BPUTZDHNSA-N 1 1 343.431 0.899 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001046753027 767591283 /nfs/dbraw/zinc/59/12/83/767591283.db2.gz NZDKQZLJJBWHOX-WHOFXGATSA-N 1 1 347.394 0.730 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001046753027 767591285 /nfs/dbraw/zinc/59/12/85/767591285.db2.gz NZDKQZLJJBWHOX-WHOFXGATSA-N 1 1 347.394 0.730 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001054049061 767647673 /nfs/dbraw/zinc/64/76/73/767647673.db2.gz PLFGTUGLHXCKFV-IRXDYDNUSA-N 1 1 325.412 0.689 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001054049061 767647675 /nfs/dbraw/zinc/64/76/75/767647675.db2.gz PLFGTUGLHXCKFV-IRXDYDNUSA-N 1 1 325.412 0.689 20 30 ECEDMO C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001054050946 767650126 /nfs/dbraw/zinc/65/01/26/767650126.db2.gz PLLCQDDWIOBQQF-OAHLLOKOSA-N 1 1 326.404 0.943 20 30 ECEDMO C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001054050946 767650130 /nfs/dbraw/zinc/65/01/30/767650130.db2.gz PLLCQDDWIOBQQF-OAHLLOKOSA-N 1 1 326.404 0.943 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001054054480 767652183 /nfs/dbraw/zinc/65/21/83/767652183.db2.gz QDGPHTOSLZXQSA-CABCVRRESA-N 1 1 342.399 0.314 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001054054480 767652185 /nfs/dbraw/zinc/65/21/85/767652185.db2.gz QDGPHTOSLZXQSA-CABCVRRESA-N 1 1 342.399 0.314 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001054054481 767652229 /nfs/dbraw/zinc/65/22/29/767652229.db2.gz QDGPHTOSLZXQSA-GJZGRUSLSA-N 1 1 342.399 0.314 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001054054481 767652233 /nfs/dbraw/zinc/65/22/33/767652233.db2.gz QDGPHTOSLZXQSA-GJZGRUSLSA-N 1 1 342.399 0.314 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001060476338 767686210 /nfs/dbraw/zinc/68/62/10/767686210.db2.gz CRVKGZHKBDYWEJ-UYLCMAPUSA-N 1 1 326.404 0.097 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](CCS(C)(=O)=O)C2)C1 ZINC001054102927 767692578 /nfs/dbraw/zinc/69/25/78/767692578.db2.gz VMHZONMSSDBZEU-UKRRQHHQSA-N 1 1 327.450 0.505 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](CCS(C)(=O)=O)C2)C1 ZINC001054102927 767692580 /nfs/dbraw/zinc/69/25/80/767692580.db2.gz VMHZONMSSDBZEU-UKRRQHHQSA-N 1 1 327.450 0.505 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@]2(CC[N@H+]([C@H]3CCCNC3=O)C2)C1 ZINC001054130650 767725057 /nfs/dbraw/zinc/72/50/57/767725057.db2.gz VKWJLNUXXHKEPJ-QFBILLFUSA-N 1 1 329.444 0.993 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)C2 ZINC001054142087 767736267 /nfs/dbraw/zinc/73/62/67/767736267.db2.gz WWOALMYCCXJEAZ-VQIMIIECSA-N 1 1 347.459 0.429 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC(=O)N(CCOC)C1)C2 ZINC001054142174 767737852 /nfs/dbraw/zinc/73/78/52/767737852.db2.gz XZQAEVBAOUGQBB-LPHOPBHVSA-N 1 1 349.475 0.982 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001054146887 767742811 /nfs/dbraw/zinc/74/28/11/767742811.db2.gz TYUHMCVHOGEPKT-GUYCJALGSA-N 1 1 334.420 0.475 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@]3(CCN(CC#N)C3)C2)C1 ZINC001054184916 767783546 /nfs/dbraw/zinc/78/35/46/767783546.db2.gz OKWYERCBZWRSFK-SJLPKXTDSA-N 1 1 334.464 0.934 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC[C@]3(CCN(CC#N)C3)C2)C1 ZINC001054184916 767783548 /nfs/dbraw/zinc/78/35/48/767783548.db2.gz OKWYERCBZWRSFK-SJLPKXTDSA-N 1 1 334.464 0.934 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C(N)=O)C3)cc1 ZINC001054188359 767788017 /nfs/dbraw/zinc/78/80/17/767788017.db2.gz MVCUANSBSLULHU-GOSISDBHSA-N 1 1 326.400 0.858 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)CC1 ZINC000992927798 767800312 /nfs/dbraw/zinc/80/03/12/767800312.db2.gz VSTTZSATAYAHIT-GVDBMIGSSA-N 1 1 346.475 0.034 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@@H]3C2)CC1 ZINC000992931629 767804431 /nfs/dbraw/zinc/80/44/31/767804431.db2.gz UJXSGGVZJOLOCM-RCCFBDPRSA-N 1 1 333.476 0.541 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001054234876 767843475 /nfs/dbraw/zinc/84/34/75/767843475.db2.gz LMQNCUIWGIPJBK-QGZVFWFLSA-N 1 1 333.436 0.391 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001054235726 767845077 /nfs/dbraw/zinc/84/50/77/767845077.db2.gz BIQZRXMYMUPTSY-RDTXWAMCSA-N 1 1 346.431 0.312 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001054236644 767845558 /nfs/dbraw/zinc/84/55/58/767845558.db2.gz LJZIVVGEBWTAIF-KSSFIOAISA-N 1 1 348.447 0.865 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(=O)n(C)n1)C2 ZINC001054237596 767847268 /nfs/dbraw/zinc/84/72/68/767847268.db2.gz ZJSNROJTFRCSAQ-GOSISDBHSA-N 1 1 328.416 0.732 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nccnc1C(N)=O)C2 ZINC001054238585 767848741 /nfs/dbraw/zinc/84/87/41/767848741.db2.gz YFXZJIHVDPZOPA-QGZVFWFLSA-N 1 1 329.404 0.690 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nn1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001127346858 768370036 /nfs/dbraw/zinc/37/00/36/768370036.db2.gz GRXZPTFHZOAWSI-AWEZNQCLSA-N 1 1 346.435 0.577 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106539066 768418737 /nfs/dbraw/zinc/41/87/37/768418737.db2.gz FIXASANGIIIFHE-DZGCQCFKSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106539066 768418739 /nfs/dbraw/zinc/41/87/39/768418739.db2.gz FIXASANGIIIFHE-DZGCQCFKSA-N 1 1 346.435 0.764 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1C ZINC001106625395 768528424 /nfs/dbraw/zinc/52/84/24/768528424.db2.gz KGWCQMADPRDECU-JHJVBQTASA-N 1 1 349.435 0.114 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 ZINC001055033305 768538491 /nfs/dbraw/zinc/53/84/91/768538491.db2.gz UCQJFCGGDDYYOY-ILXRZTDVSA-N 1 1 337.387 0.779 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)C1 ZINC001055034286 768539436 /nfs/dbraw/zinc/53/94/36/768539436.db2.gz KQQBXRIVDLYHJP-ATGSNQNLSA-N 1 1 326.404 0.526 20 30 ECEDMO Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)n1 ZINC001055034231 768539768 /nfs/dbraw/zinc/53/97/68/768539768.db2.gz IDNMDGUSYAAYKA-UKMLZYKCSA-N 1 1 340.431 0.834 20 30 ECEDMO C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106642534 768545927 /nfs/dbraw/zinc/54/59/27/768545927.db2.gz OPYLIUDXGISERK-YRGRVCCFSA-N 1 1 332.408 0.374 20 30 ECEDMO C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106642534 768545930 /nfs/dbraw/zinc/54/59/30/768545930.db2.gz OPYLIUDXGISERK-YRGRVCCFSA-N 1 1 332.408 0.374 20 30 ECEDMO C[C@@H](CCNc1ccc(C#N)cn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106642896 768546879 /nfs/dbraw/zinc/54/68/79/768546879.db2.gz SLRAJKMESWPTRK-GZBFAFLISA-N 1 1 331.420 0.979 20 30 ECEDMO C[C@@H](CCNc1ccc(C#N)cn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106642896 768546883 /nfs/dbraw/zinc/54/68/83/768546883.db2.gz SLRAJKMESWPTRK-GZBFAFLISA-N 1 1 331.420 0.979 20 30 ECEDMO N#CCSCC(=O)N1C[C@H]2CN(C(=O)CCc3cnc[nH]3)C[C@H]2C1 ZINC001055182896 768638558 /nfs/dbraw/zinc/63/85/58/768638558.db2.gz NRLLTRRWBTWJDH-BETUJISGSA-N 1 1 347.444 0.516 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@@H]21 ZINC001042053407 782684589 /nfs/dbraw/zinc/68/45/89/782684589.db2.gz ZKNQWJSSEUJDQX-HOCLYGCPSA-N 1 1 331.420 0.484 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001055272702 768729026 /nfs/dbraw/zinc/72/90/26/768729026.db2.gz DLTMNIHUSKQAEY-GASCZTMLSA-N 1 1 343.431 0.759 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001042059138 782691387 /nfs/dbraw/zinc/69/13/87/782691387.db2.gz ZZTVAYHHSYLIEA-IAGOWNOFSA-N 1 1 345.443 0.181 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001042059138 782691394 /nfs/dbraw/zinc/69/13/94/782691394.db2.gz ZZTVAYHHSYLIEA-IAGOWNOFSA-N 1 1 345.443 0.181 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055313273 768768839 /nfs/dbraw/zinc/76/88/39/768768839.db2.gz JIVOBWKSTYZBPO-GGXPGOJBSA-N 1 1 349.475 0.572 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001055328778 768786241 /nfs/dbraw/zinc/78/62/41/768786241.db2.gz DIERMQWHJODAEQ-MWDXBVQZSA-N 1 1 331.460 0.760 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001055338065 768794142 /nfs/dbraw/zinc/79/41/42/768794142.db2.gz NHFYNMFIDVXUBW-YESZJQIVSA-N 1 1 347.459 0.427 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001018148905 768802653 /nfs/dbraw/zinc/80/26/53/768802653.db2.gz FSVUCOOPWKYOLB-GASCZTMLSA-N 1 1 345.447 0.632 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001018150573 768804898 /nfs/dbraw/zinc/80/48/98/768804898.db2.gz SQXIIEHCJUXHBD-GASCZTMLSA-N 1 1 343.431 0.080 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000993345301 768819682 /nfs/dbraw/zinc/81/96/82/768819682.db2.gz QRYUAHYMTRAJQE-RKVPGOIHSA-N 1 1 348.447 0.175 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001055381026 768838733 /nfs/dbraw/zinc/83/87/33/768838733.db2.gz PPBKWSKXOVQVHN-NCOADZHNSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001055381028 768839225 /nfs/dbraw/zinc/83/92/25/768839225.db2.gz PPBKWSKXOVQVHN-WCXIOVBPSA-N 1 1 349.475 0.979 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@]2(C)C1 ZINC000993352714 768847193 /nfs/dbraw/zinc/84/71/93/768847193.db2.gz JFYHTPJHZYWKOP-MRRJBJDNSA-N 1 1 329.404 0.658 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001042066550 782708417 /nfs/dbraw/zinc/70/84/17/782708417.db2.gz HBXIQYAKZARDQU-ZIAGYGMSSA-N 1 1 330.436 0.988 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001042068179 782710150 /nfs/dbraw/zinc/71/01/50/782710150.db2.gz WFMNBHNGHHRUCS-KGLIPLIRSA-N 1 1 330.436 0.988 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001018281607 769029852 /nfs/dbraw/zinc/02/98/52/769029852.db2.gz BCCYTVNHIOZMGT-MJBXVCDLSA-N 1 1 327.450 0.320 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC000993424810 769043265 /nfs/dbraw/zinc/04/32/65/769043265.db2.gz ZQVJMDPXMNDKQJ-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO C[C@@H](C[C@H](C)Nc1ccncc1C#N)NC(=O)CC[NH+]1CCOCC1 ZINC001089354939 769079868 /nfs/dbraw/zinc/07/98/68/769079868.db2.gz MZRSECGKWWNEMD-GJZGRUSLSA-N 1 1 345.447 0.793 20 30 ECEDMO C[C@H](C[C@@H](C)Nc1ccc(C#N)nn1)NC(=O)CC[NH+]1CCOCC1 ZINC001089355006 769089203 /nfs/dbraw/zinc/08/92/03/769089203.db2.gz NRPNBSSHBQOTPB-ZIAGYGMSSA-N 1 1 346.435 0.766 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2ccncc2F)CC1 ZINC001055549282 769089848 /nfs/dbraw/zinc/08/98/48/769089848.db2.gz CUOVCFSEZGUFOL-GFCCVEGCSA-N 1 1 347.394 0.691 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2cncnc2)CC1 ZINC001055563240 769121776 /nfs/dbraw/zinc/12/17/76/769121776.db2.gz ASJVRGQQIGUVIA-UHFFFAOYSA-N 1 1 331.420 0.753 20 30 ECEDMO Cc1nc(C(=O)NCC[NH+]2CCC(NC(=O)C#CC(C)C)CC2)co1 ZINC001055565174 769126650 /nfs/dbraw/zinc/12/66/50/769126650.db2.gz WEZCLXFNJGFYMK-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO Cc1cc(C(=O)NC2CC[NH+](CCNC(=O)C#CC(C)C)CC2)on1 ZINC001055573000 769151543 /nfs/dbraw/zinc/15/15/43/769151543.db2.gz NFHKGZLGVIHHEO-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO CC(C)[N@H+](C)CC(=O)NCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055589215 769193096 /nfs/dbraw/zinc/19/30/96/769193096.db2.gz CKFLHMLFJQUUNL-AWEZNQCLSA-N 1 1 337.468 0.183 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055589215 769193100 /nfs/dbraw/zinc/19/31/00/769193100.db2.gz CKFLHMLFJQUUNL-AWEZNQCLSA-N 1 1 337.468 0.183 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001055597689 769220921 /nfs/dbraw/zinc/22/09/21/769220921.db2.gz BGYQDJRDNHULQH-GOEBONIOSA-N 1 1 349.479 0.327 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055608793 769248422 /nfs/dbraw/zinc/24/84/22/769248422.db2.gz YXMVZMPYWQRMIW-UHFFFAOYSA-N 1 1 338.496 0.847 20 30 ECEDMO Cc1cc(C(=O)NC2CC[NH+](CCNC(=O)[C@@H](C)C#N)CC2)no1 ZINC001055629877 769298313 /nfs/dbraw/zinc/29/83/13/769298313.db2.gz MWEAAPMBCSDYSH-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001055632213 769307614 /nfs/dbraw/zinc/30/76/14/769307614.db2.gz QTNBPYUOUUGPTH-CQSZACIVSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001055632213 769307624 /nfs/dbraw/zinc/30/76/24/769307624.db2.gz QTNBPYUOUUGPTH-CQSZACIVSA-N 1 1 349.479 0.327 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)C[C@@H]21 ZINC001042088319 782741064 /nfs/dbraw/zinc/74/10/64/782741064.db2.gz PJWYBINOCXWRFI-YOEHRIQHSA-N 1 1 336.399 0.832 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001055645221 769335363 /nfs/dbraw/zinc/33/53/63/769335363.db2.gz ONLIZEBJDUCDJS-GJZGRUSLSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001055645221 769335370 /nfs/dbraw/zinc/33/53/70/769335370.db2.gz ONLIZEBJDUCDJS-GJZGRUSLSA-N 1 1 349.479 0.327 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]2CC[N@@H+](CC(=O)NC)[C@H]2C1 ZINC001042093780 782752512 /nfs/dbraw/zinc/75/25/12/782752512.db2.gz BFXYLGPOHBZRLC-HOCLYGCPSA-N 1 1 330.432 0.957 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]2CC[N@H+](CC(=O)NC)[C@H]2C1 ZINC001042093780 782752535 /nfs/dbraw/zinc/75/25/35/782752535.db2.gz BFXYLGPOHBZRLC-HOCLYGCPSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC000993680826 769471369 /nfs/dbraw/zinc/47/13/69/769471369.db2.gz XDDHMCGMCOUWQI-CABCVRRESA-N 1 1 341.415 0.488 20 30 ECEDMO CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078358436 782768275 /nfs/dbraw/zinc/76/82/75/782768275.db2.gz PPLMHXCROFRKLS-ZIAGYGMSSA-N 1 1 349.439 0.340 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000993813622 769667754 /nfs/dbraw/zinc/66/77/54/769667754.db2.gz DVHVMLCQHJEHJS-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)C1 ZINC000993874817 769771747 /nfs/dbraw/zinc/77/17/47/769771747.db2.gz PHFBYOSEBLWKLC-BZUAXINKSA-N 1 1 349.475 0.884 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)C1 ZINC000993874817 769771751 /nfs/dbraw/zinc/77/17/51/769771751.db2.gz PHFBYOSEBLWKLC-BZUAXINKSA-N 1 1 349.475 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nc1 ZINC000993882821 769782355 /nfs/dbraw/zinc/78/23/55/769782355.db2.gz VCWLJDXTGZMUPE-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CCF)C2)[nH]1 ZINC001018730829 769820265 /nfs/dbraw/zinc/82/02/65/769820265.db2.gz IMZSZHRSJKCFPH-LBPRGKRZSA-N 1 1 331.355 0.452 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3nc(C)ccc3C#N)CC2)C1 ZINC001055824981 769864821 /nfs/dbraw/zinc/86/48/21/769864821.db2.gz SANIWDDUFOUXNT-INIZCTEOSA-N 1 1 343.431 0.631 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3nc(C)ccc3C#N)CC2)C1 ZINC001055824981 769864835 /nfs/dbraw/zinc/86/48/35/769864835.db2.gz SANIWDDUFOUXNT-INIZCTEOSA-N 1 1 343.431 0.631 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001055825132 769864884 /nfs/dbraw/zinc/86/48/84/769864884.db2.gz AAVGJOSPQZJEAA-SFHVURJKSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001055826072 769868121 /nfs/dbraw/zinc/86/81/21/769868121.db2.gz WLJPYNIROURTKT-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)C[C@H]21 ZINC001042110418 782791549 /nfs/dbraw/zinc/79/15/49/782791549.db2.gz WJHIJWBGQMMYMH-LSDHHAIUSA-N 1 1 338.415 0.992 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 ZINC001042120350 782804319 /nfs/dbraw/zinc/80/43/19/782804319.db2.gz SIMFPCBBVCRIQK-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C[C@@H]21 ZINC001042122032 782806581 /nfs/dbraw/zinc/80/65/81/782806581.db2.gz LCVMZRLPOLQBBM-FZMZJTMJSA-N 1 1 325.372 0.833 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4ccccn4c3=O)C[C@H]21 ZINC001042116758 782798861 /nfs/dbraw/zinc/79/88/61/782798861.db2.gz NGQROVQOBKPDKU-GOEBONIOSA-N 1 1 336.395 0.864 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@@H]1C ZINC000994089072 770116809 /nfs/dbraw/zinc/11/68/09/770116809.db2.gz DNPURKWTQWLTLX-GXTWGEPZSA-N 1 1 332.404 0.731 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]21 ZINC001042123777 782809691 /nfs/dbraw/zinc/80/96/91/782809691.db2.gz VEIBUGQCMQJMEY-GJZGRUSLSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001055910221 770178118 /nfs/dbraw/zinc/17/81/18/770178118.db2.gz JNBAEQDPIDMSRT-APWZRJJASA-N 1 1 349.475 0.744 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@](CO)(NC(=O)C#CC(C)C)C1 ZINC001055930831 770261226 /nfs/dbraw/zinc/26/12/26/770261226.db2.gz ACAXXLCUUKEMSV-GOSISDBHSA-N 1 1 346.431 0.321 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnon3)C2)c[nH]1 ZINC001078384284 782820982 /nfs/dbraw/zinc/82/09/82/782820982.db2.gz RZRMPVLNGJCTBF-CQSZACIVSA-N 1 1 330.348 0.290 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001055935339 770280918 /nfs/dbraw/zinc/28/09/18/770280918.db2.gz RINIINZBSRLEAA-GOSISDBHSA-N 1 1 346.431 0.471 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CSC)C[C@H]1C ZINC000994193746 770283697 /nfs/dbraw/zinc/28/36/97/770283697.db2.gz NFLUSYNTTXRNPU-KFWWJZLASA-N 1 1 337.489 0.658 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CSC)C[C@H]1C ZINC000994193746 770283703 /nfs/dbraw/zinc/28/37/03/770283703.db2.gz NFLUSYNTTXRNPU-KFWWJZLASA-N 1 1 337.489 0.658 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938365 770289421 /nfs/dbraw/zinc/28/94/21/770289421.db2.gz CTFAAIQXSWLAJG-IBGZPJMESA-N 1 1 349.475 0.600 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938490 770289877 /nfs/dbraw/zinc/28/98/77/770289877.db2.gz GPBZOVNWALTJKO-SFHVURJKSA-N 1 1 335.448 0.211 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC001055955282 770357029 /nfs/dbraw/zinc/35/70/29/770357029.db2.gz YYPJQHFSLNCOIE-UHFFFAOYSA-N 1 1 325.376 0.510 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3sccc3-n3cnnn3)C[C@@H]21 ZINC001042134223 782830236 /nfs/dbraw/zinc/83/02/36/782830236.db2.gz NKLGCAQKEUQQAI-OCCSQVGLSA-N 1 1 342.428 0.893 20 30 ECEDMO C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@H]1C ZINC001106872001 770461149 /nfs/dbraw/zinc/46/11/49/770461149.db2.gz AISBVZONVULRAV-QLFBSQMISA-N 1 1 347.463 0.796 20 30 ECEDMO C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@H]1C ZINC001106872001 770461153 /nfs/dbraw/zinc/46/11/53/770461153.db2.gz AISBVZONVULRAV-QLFBSQMISA-N 1 1 347.463 0.796 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001055992147 770480371 /nfs/dbraw/zinc/48/03/71/770480371.db2.gz SKIJLGDVFUIQFV-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001055992147 770480380 /nfs/dbraw/zinc/48/03/80/770480380.db2.gz SKIJLGDVFUIQFV-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC001056020019 770574342 /nfs/dbraw/zinc/57/43/42/770574342.db2.gz ICIOQEGVNFCPAO-ZDUSSCGKSA-N 1 1 328.420 0.647 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001056031510 770615798 /nfs/dbraw/zinc/61/57/98/770615798.db2.gz AFDDFBTTWUBLJM-KRWDZBQOSA-N 1 1 341.452 0.001 20 30 ECEDMO CC#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056061776 770714332 /nfs/dbraw/zinc/71/43/32/770714332.db2.gz NXHMHCIHGDLWSY-APWZRJJASA-N 1 1 349.475 0.601 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001056067422 770732390 /nfs/dbraw/zinc/73/23/90/770732390.db2.gz CNVVVZZOUSZIPD-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4c(c3)nnn4C)C[C@H]21 ZINC001042156756 782866121 /nfs/dbraw/zinc/86/61/21/782866121.db2.gz VYMBNEZQCNSQIT-XJKSGUPXSA-N 1 1 338.415 0.923 20 30 ECEDMO COc1cc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCCO2)on1 ZINC001078397926 782868322 /nfs/dbraw/zinc/86/83/22/782868322.db2.gz HTNORCPXDKWCQP-HNNXBMFYSA-N 1 1 333.388 0.804 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001056127730 770890178 /nfs/dbraw/zinc/89/01/78/770890178.db2.gz HDZNYFOLZOYALU-APWZRJJASA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001056127659 770890270 /nfs/dbraw/zinc/89/02/70/770890270.db2.gz GLVNWOZJYPXROG-CRAIPNDOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1C ZINC000994487017 770892945 /nfs/dbraw/zinc/89/29/45/770892945.db2.gz OHILNWDCVPFPJP-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@@H]21 ZINC001042162998 782876858 /nfs/dbraw/zinc/87/68/58/782876858.db2.gz NDQVJHLUBWLOBN-CJNGLKHVSA-N 1 1 337.387 0.227 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3ccccc3)C2)C1 ZINC001031418812 771037696 /nfs/dbraw/zinc/03/76/96/771037696.db2.gz NVWZMIQBTBYADM-GOSISDBHSA-N 1 1 327.428 0.559 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3ccccc3)C2)C1 ZINC001031418812 771037703 /nfs/dbraw/zinc/03/77/03/771037703.db2.gz NVWZMIQBTBYADM-GOSISDBHSA-N 1 1 327.428 0.559 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001031418931 771038886 /nfs/dbraw/zinc/03/88/86/771038886.db2.gz PCRUIFXTQJDYPY-HNNXBMFYSA-N 1 1 334.445 0.641 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001031418931 771038889 /nfs/dbraw/zinc/03/88/89/771038889.db2.gz PCRUIFXTQJDYPY-HNNXBMFYSA-N 1 1 334.445 0.641 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001056313496 771109694 /nfs/dbraw/zinc/10/96/94/771109694.db2.gz BKUAYPMOXQTBKS-PMPSAXMXSA-N 1 1 335.448 0.875 20 30 ECEDMO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCc3[nH+]ccn32)nn1 ZINC001056320850 771120017 /nfs/dbraw/zinc/12/00/17/771120017.db2.gz FXJRZJFIAVUCOS-OEUWWYETSA-N 1 1 349.398 0.673 20 30 ECEDMO N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCc3[nH+]ccn32)cn1 ZINC001056322656 771124220 /nfs/dbraw/zinc/12/42/20/771124220.db2.gz XDAHCQDTJAIWGL-OEUWWYETSA-N 1 1 349.398 0.673 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC(C)(C)C1 ZINC001089423896 771125288 /nfs/dbraw/zinc/12/52/88/771125288.db2.gz PSDPFCLCXXUGKQ-MRXNPFEDSA-N 1 1 348.491 0.391 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]21 ZINC001056343984 771150887 /nfs/dbraw/zinc/15/08/87/771150887.db2.gz BWHGBHZFTCKMAJ-VIKVFOODSA-N 1 1 340.362 0.848 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)CC[N@H+]1C ZINC001056380022 771202610 /nfs/dbraw/zinc/20/26/10/771202610.db2.gz OXVYIVHXJLYZON-AORAQPTISA-N 1 1 340.431 0.629 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001056402888 771229707 /nfs/dbraw/zinc/22/97/07/771229707.db2.gz SVGHIBNTZGMKKH-ZACQAIPSSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3nnnc3c2)CC(C)(C)C1 ZINC001089459025 771241462 /nfs/dbraw/zinc/24/14/62/771241462.db2.gz QXCOKWIQRZZQJR-AWEZNQCLSA-N 1 1 326.404 0.978 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001060726913 771264093 /nfs/dbraw/zinc/26/40/93/771264093.db2.gz LSWHHJKQNOSKNP-BRWVUGGUSA-N 1 1 349.475 0.768 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001060726913 771264096 /nfs/dbraw/zinc/26/40/96/771264096.db2.gz LSWHHJKQNOSKNP-BRWVUGGUSA-N 1 1 349.475 0.768 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001042188300 782908904 /nfs/dbraw/zinc/90/89/04/782908904.db2.gz RSXJYCYXNFDCIL-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CCOC ZINC001056452454 771282513 /nfs/dbraw/zinc/28/25/13/771282513.db2.gz IZZPTPXWDUONOH-ZACQAIPSSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CCOC ZINC001056452454 771282514 /nfs/dbraw/zinc/28/25/14/771282514.db2.gz IZZPTPXWDUONOH-ZACQAIPSSA-N 1 1 347.459 0.712 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC001019441271 771288162 /nfs/dbraw/zinc/28/81/62/771288162.db2.gz HTSWVVKSOCQXMW-OAHLLOKOSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3scnc3C)C2)C1=O ZINC001031560123 771288238 /nfs/dbraw/zinc/28/82/38/771288238.db2.gz IKRVDKWHKDROBV-CYBMUJFWSA-N 1 1 334.445 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1ccc(C)nn1 ZINC001127511105 771396316 /nfs/dbraw/zinc/39/63/16/771396316.db2.gz HRFXNHJOGUCXOO-INIZCTEOSA-N 1 1 345.447 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1ccc(C)nn1 ZINC001127511105 771396319 /nfs/dbraw/zinc/39/63/19/771396319.db2.gz HRFXNHJOGUCXOO-INIZCTEOSA-N 1 1 345.447 0.770 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCCN(C(=O)COCC)[C@@H]2C1 ZINC001056589275 771409274 /nfs/dbraw/zinc/40/92/74/771409274.db2.gz RFJWYERJCMIUMV-YESZJQIVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCCN(C(=O)COCC)[C@@H]2C1 ZINC001056589275 771409277 /nfs/dbraw/zinc/40/92/77/771409277.db2.gz RFJWYERJCMIUMV-YESZJQIVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)CC(C)(C)C1 ZINC001089535696 771411693 /nfs/dbraw/zinc/41/16/93/771411693.db2.gz OSBMSKFPAIKDSV-AWEZNQCLSA-N 1 1 348.447 0.558 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCNC(=O)C3)C2)s1 ZINC001031612869 771451615 /nfs/dbraw/zinc/45/16/15/771451615.db2.gz FWASVWJLZWTMIH-LBPRGKRZSA-N 1 1 332.429 0.694 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC(C)(C)C1 ZINC001089551548 771464294 /nfs/dbraw/zinc/46/42/94/771464294.db2.gz IOUNRUDNCPOCGC-AWEZNQCLSA-N 1 1 333.436 0.130 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC(C)(C)C1 ZINC001089552146 771464966 /nfs/dbraw/zinc/46/49/66/771464966.db2.gz MEGGQVZHKOYKHE-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212244032 771500882 /nfs/dbraw/zinc/50/08/82/771500882.db2.gz AUKRDULOVNNQLU-HZPDHXFCSA-N 1 1 329.400 0.114 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC(C)(C)C1 ZINC001089564904 771516569 /nfs/dbraw/zinc/51/65/69/771516569.db2.gz KTEVGQVDGRLKGC-GFCCVEGCSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C)CCCO1 ZINC001019611121 771592486 /nfs/dbraw/zinc/59/24/86/771592486.db2.gz BNSWTOWHCSRRQB-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C)CCCO1 ZINC001019611121 771592491 /nfs/dbraw/zinc/59/24/91/771592491.db2.gz BNSWTOWHCSRRQB-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)ccc1F ZINC001042209686 782941039 /nfs/dbraw/zinc/94/10/39/782941039.db2.gz CGEYILPCRFEVAR-WFASDCNBSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)ccc1F ZINC001042209686 782941041 /nfs/dbraw/zinc/94/10/41/782941041.db2.gz CGEYILPCRFEVAR-WFASDCNBSA-N 1 1 330.363 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@H]1C=CCC1 ZINC001056929948 771821442 /nfs/dbraw/zinc/82/14/42/771821442.db2.gz XQRUIRMZCJKKDM-IRXDYDNUSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@H]1C=CCC1 ZINC001056929948 771821446 /nfs/dbraw/zinc/82/14/46/771821446.db2.gz XQRUIRMZCJKKDM-IRXDYDNUSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3nccnc3C)C2)CC1 ZINC001019816352 771832244 /nfs/dbraw/zinc/83/22/44/771832244.db2.gz XRFVLYYVRHTKPK-KRWDZBQOSA-N 1 1 341.459 0.821 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC=CCC1 ZINC001056945296 771844447 /nfs/dbraw/zinc/84/44/47/771844447.db2.gz OWMMAFAUTSROBP-SJORKVTESA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC=CCC1 ZINC001056945296 771844452 /nfs/dbraw/zinc/84/44/52/771844452.db2.gz OWMMAFAUTSROBP-SJORKVTESA-N 1 1 347.459 0.377 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC)[C@H]3C2)c1 ZINC001042234721 782964883 /nfs/dbraw/zinc/96/48/83/782964883.db2.gz XVCWZUVDXVKWPT-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC)[C@H]3C2)c1 ZINC001042234721 782964886 /nfs/dbraw/zinc/96/48/86/782964886.db2.gz XVCWZUVDXVKWPT-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 ZINC001056989563 771916005 /nfs/dbraw/zinc/91/60/05/771916005.db2.gz SRMPYIFBPOPNKL-ZDUSSCGKSA-N 1 1 325.376 0.591 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057027929 771963536 /nfs/dbraw/zinc/96/35/36/771963536.db2.gz SUWJWFXWSPZPGD-UKRRQHHQSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001057059052 772012053 /nfs/dbraw/zinc/01/20/53/772012053.db2.gz HYRJWHUPAQRWTI-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 ZINC001057059885 772013185 /nfs/dbraw/zinc/01/31/85/772013185.db2.gz BGQUECIOTHLPKE-HOCLYGCPSA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 ZINC001057059885 772013191 /nfs/dbraw/zinc/01/31/91/772013191.db2.gz BGQUECIOTHLPKE-HOCLYGCPSA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2nc(C)ns2)C1 ZINC001057059867 772013300 /nfs/dbraw/zinc/01/33/00/772013300.db2.gz AYUIHZACSSYJDG-KBPBESRZSA-N 1 1 333.461 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2nc(C)ns2)C1 ZINC001057059867 772013304 /nfs/dbraw/zinc/01/33/04/772013304.db2.gz AYUIHZACSSYJDG-KBPBESRZSA-N 1 1 333.461 0.981 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057142107 772155553 /nfs/dbraw/zinc/15/55/53/772155553.db2.gz OBODTTVHXVOZMB-UHFFFAOYSA-N 1 1 325.376 0.592 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)cc1 ZINC001042257641 782993466 /nfs/dbraw/zinc/99/34/66/782993466.db2.gz KLEHMQBOLKLXJH-YOEHRIQHSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@H]3C2)cc1 ZINC001042257641 782993472 /nfs/dbraw/zinc/99/34/72/782993472.db2.gz KLEHMQBOLKLXJH-YOEHRIQHSA-N 1 1 341.411 0.720 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001020167828 772237756 /nfs/dbraw/zinc/23/77/56/772237756.db2.gz HTJURTONJOPJDM-YHQUGGNUSA-N 1 1 334.424 0.489 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057211435 772284914 /nfs/dbraw/zinc/28/49/14/772284914.db2.gz FLZRWTBETUAWMA-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001042263709 783001958 /nfs/dbraw/zinc/00/19/58/783001958.db2.gz XAOLLOYOUWWYOV-CABCVRRESA-N 1 1 330.436 0.743 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057234472 772318544 /nfs/dbraw/zinc/31/85/44/772318544.db2.gz DJBOOTAHWKZYKC-AWEZNQCLSA-N 1 1 328.420 0.729 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057234882 772319206 /nfs/dbraw/zinc/31/92/06/772319206.db2.gz TZZFWWDMQHBGNL-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO C=CCOCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001057266830 772374715 /nfs/dbraw/zinc/37/47/15/772374715.db2.gz JQOUPNBSPIVDSC-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001042266344 783008077 /nfs/dbraw/zinc/00/80/77/783008077.db2.gz MQPVAPRNGZUBIX-DZGCQCFKSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CCOc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020306996 772423470 /nfs/dbraw/zinc/42/34/70/772423470.db2.gz ZKKUDBGFTRGUQE-JOCQHMNTSA-N 1 1 342.403 0.826 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ncc(C#N)cc3F)CC2)C1 ZINC001057303260 772432992 /nfs/dbraw/zinc/43/29/92/772432992.db2.gz LJCPLHMUDRCYMA-OAHLLOKOSA-N 1 1 347.394 0.826 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ncc(C#N)cc3F)CC2)C1 ZINC001057303260 772432994 /nfs/dbraw/zinc/43/29/94/772432994.db2.gz LJCPLHMUDRCYMA-OAHLLOKOSA-N 1 1 347.394 0.826 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccncc3C#N)CC2)C1 ZINC001057337532 772483319 /nfs/dbraw/zinc/48/33/19/772483319.db2.gz VUHWINSMLJZGTK-KRWDZBQOSA-N 1 1 343.431 0.499 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccncc3C#N)CC2)C1 ZINC001057337532 772483324 /nfs/dbraw/zinc/48/33/24/772483324.db2.gz VUHWINSMLJZGTK-KRWDZBQOSA-N 1 1 343.431 0.499 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccsn2)[C@H]1C ZINC001020355025 772486915 /nfs/dbraw/zinc/48/69/15/772486915.db2.gz UHRMUNLFQDOEDK-YDHLFZDLSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccsn2)[C@H]1C ZINC001020355025 772486920 /nfs/dbraw/zinc/48/69/20/772486920.db2.gz UHRMUNLFQDOEDK-YDHLFZDLSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)CCCn1cc[nH+]c1C ZINC001057439263 772615640 /nfs/dbraw/zinc/61/56/40/772615640.db2.gz FEJVSIKNYHLQHE-UHFFFAOYSA-N 1 1 348.447 0.712 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057442811 772619040 /nfs/dbraw/zinc/61/90/40/772619040.db2.gz QUXLXVAPBVUIKE-IAGOWNOFSA-N 1 1 349.475 0.601 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057452618 772634606 /nfs/dbraw/zinc/63/46/06/772634606.db2.gz RKPHYCKVIVUULU-CQSZACIVSA-N 1 1 328.420 0.657 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(CNc3cncc(C#N)n3)CC2)C1 ZINC001057483546 772672062 /nfs/dbraw/zinc/67/20/62/772672062.db2.gz BLEALXSGOVIPTC-OAHLLOKOSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(CNc3cncc(C#N)n3)CC2)C1 ZINC001057483546 772672066 /nfs/dbraw/zinc/67/20/66/772672066.db2.gz BLEALXSGOVIPTC-OAHLLOKOSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(CNc3ccc(C#N)nc3)CC2)C1 ZINC001057483807 772672784 /nfs/dbraw/zinc/67/27/84/772672784.db2.gz MYOGCESSBZFITM-QGZVFWFLSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(CNc3ccc(C#N)nc3)CC2)C1 ZINC001057483807 772672786 /nfs/dbraw/zinc/67/27/86/772672786.db2.gz MYOGCESSBZFITM-QGZVFWFLSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(CNc3cncc(C#N)n3)CC2)C1 ZINC001057501297 772690011 /nfs/dbraw/zinc/69/00/11/772690011.db2.gz FJSSVZBJTZAJQZ-CQSZACIVSA-N 1 1 328.420 0.950 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C)C1 ZINC001057540157 772735260 /nfs/dbraw/zinc/73/52/60/772735260.db2.gz JCRNBWIMBCTNHJ-HNNXBMFYSA-N 1 1 337.464 0.315 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540874 772736485 /nfs/dbraw/zinc/73/64/85/772736485.db2.gz JGYYYPTYPHDTEO-UHFFFAOYSA-N 1 1 325.453 0.313 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057599252 772795788 /nfs/dbraw/zinc/79/57/88/772795788.db2.gz WHVKZIQGASXJDY-SJORKVTESA-N 1 1 349.475 0.457 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057599354 772796442 /nfs/dbraw/zinc/79/64/42/772796442.db2.gz YYGRUWPKSILFQK-IAGOWNOFSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CCCCCCC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057643692 772855446 /nfs/dbraw/zinc/85/54/46/772855446.db2.gz HVVUJTCNFATLAH-UHFFFAOYSA-N 1 1 348.447 0.712 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057654308 772870339 /nfs/dbraw/zinc/87/03/39/772870339.db2.gz CZTGEUVJHPUMNE-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057654308 772870342 /nfs/dbraw/zinc/87/03/42/772870342.db2.gz CZTGEUVJHPUMNE-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001057655346 772871479 /nfs/dbraw/zinc/87/14/79/772871479.db2.gz NXYXPVHERCYHPM-ZFWWWQNUSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001057655346 772871482 /nfs/dbraw/zinc/87/14/82/772871482.db2.gz NXYXPVHERCYHPM-ZFWWWQNUSA-N 1 1 344.419 0.472 20 30 ECEDMO N#Cc1cncc(N[C@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001057667884 772891078 /nfs/dbraw/zinc/89/10/78/772891078.db2.gz KISHSYWQPFMGQI-AWEZNQCLSA-N 1 1 344.419 0.473 20 30 ECEDMO N#Cc1ccc(N[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)nn1 ZINC001057668059 772891296 /nfs/dbraw/zinc/89/12/96/772891296.db2.gz OCHSNECLIBJIEI-OAHLLOKOSA-N 1 1 344.419 0.473 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001057692510 772916998 /nfs/dbraw/zinc/91/69/98/772916998.db2.gz IUWIDBKRYWPZIR-ZDUSSCGKSA-N 1 1 345.871 0.654 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057719283 772943243 /nfs/dbraw/zinc/94/32/43/772943243.db2.gz GRYIUKGNTIDVAR-ZDUSSCGKSA-N 1 1 325.376 0.378 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H](Nc2cncc(C#N)n2)C1 ZINC001057719791 772943292 /nfs/dbraw/zinc/94/32/92/772943292.db2.gz VPPVEMBGDLAFLW-ZDUSSCGKSA-N 1 1 325.376 0.956 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001057746330 772960903 /nfs/dbraw/zinc/96/09/03/772960903.db2.gz SEFDLFPMVOPYTC-JKSUJKDBSA-N 1 1 337.464 0.457 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057812163 773014954 /nfs/dbraw/zinc/01/49/54/773014954.db2.gz VYNQDNWOHFGPLV-CZUORRHYSA-N 1 1 342.447 0.879 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001057823119 773033577 /nfs/dbraw/zinc/03/35/77/773033577.db2.gz NTDWNDMIHKMWKL-HZPDHXFCSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001057853568 773073349 /nfs/dbraw/zinc/07/33/49/773073349.db2.gz UNZQMIQJDIFMQX-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001057857766 773077791 /nfs/dbraw/zinc/07/77/91/773077791.db2.gz LOGCUGCAMZMGOW-GASCZTMLSA-N 1 1 325.453 0.763 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 ZINC001057873903 773108085 /nfs/dbraw/zinc/10/80/85/773108085.db2.gz NUUVHKIGELBTFF-KRWDZBQOSA-N 1 1 349.475 0.315 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057885501 773131079 /nfs/dbraw/zinc/13/10/79/773131079.db2.gz ZJXGYMKJNNISEA-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001057966996 773303624 /nfs/dbraw/zinc/30/36/24/773303624.db2.gz YBSZSXUKIPRNRS-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057973945 773317439 /nfs/dbraw/zinc/31/74/39/773317439.db2.gz FGAOYUWRESKMQR-IAGOWNOFSA-N 1 1 349.475 0.744 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001040608642 783095698 /nfs/dbraw/zinc/09/56/98/783095698.db2.gz GMLRSUFILUDKMK-VQIMIIECSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC(F)F ZINC001058116148 773564775 /nfs/dbraw/zinc/56/47/75/773564775.db2.gz KKTAAGJCIIGGDR-ZDUSSCGKSA-N 1 1 345.390 0.066 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC(F)F ZINC001058116148 773564778 /nfs/dbraw/zinc/56/47/78/773564778.db2.gz KKTAAGJCIIGGDR-ZDUSSCGKSA-N 1 1 345.390 0.066 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058134477 773604149 /nfs/dbraw/zinc/60/41/49/773604149.db2.gz GJXBZXLKMAZCSF-GDBMZVCRSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058134477 773604154 /nfs/dbraw/zinc/60/41/54/773604154.db2.gz GJXBZXLKMAZCSF-GDBMZVCRSA-N 1 1 329.404 0.369 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058157844 773658821 /nfs/dbraw/zinc/65/88/21/773658821.db2.gz JAQWBKYTMQPDEC-MRXNPFEDSA-N 1 1 337.464 0.459 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058159773 773664675 /nfs/dbraw/zinc/66/46/75/773664675.db2.gz WMJXZEDJHLASIW-HNNXBMFYSA-N 1 1 339.480 0.868 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058167528 773683785 /nfs/dbraw/zinc/68/37/85/773683785.db2.gz FMKVIXHXWOELOH-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058167528 773683792 /nfs/dbraw/zinc/68/37/92/773683792.db2.gz FMKVIXHXWOELOH-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058241048 773829344 /nfs/dbraw/zinc/82/93/44/773829344.db2.gz HCBHTWJZTIRZFE-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058255450 773854990 /nfs/dbraw/zinc/85/49/90/773854990.db2.gz QEHWJEPWLAOKKK-UHFFFAOYSA-N 1 1 325.453 0.459 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001058304257 773938829 /nfs/dbraw/zinc/93/88/29/773938829.db2.gz ZVNFXQYSBGMFEM-AWEZNQCLSA-N 1 1 348.447 0.910 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058373503 774055892 /nfs/dbraw/zinc/05/58/92/774055892.db2.gz KADLDYJUDVKVCY-OLZOCXBDSA-N 1 1 328.420 0.557 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001058403856 774115629 /nfs/dbraw/zinc/11/56/29/774115629.db2.gz ZURPDGYBDNBXHE-UONOGXRCSA-N 1 1 328.420 0.693 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001058442576 774189723 /nfs/dbraw/zinc/18/97/23/774189723.db2.gz JNGGXLBIAVPOIB-UHFFFAOYSA-N 1 1 339.480 0.847 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058521716 774354278 /nfs/dbraw/zinc/35/42/78/774354278.db2.gz RWXRFNJKZAYEPT-HOTGVXAUSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058521716 774354285 /nfs/dbraw/zinc/35/42/85/774354285.db2.gz RWXRFNJKZAYEPT-HOTGVXAUSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)C1 ZINC001058522075 774355204 /nfs/dbraw/zinc/35/52/04/774355204.db2.gz ZQZFGMOXJLGFDX-UKRRQHHQSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)C1 ZINC001058522075 774355212 /nfs/dbraw/zinc/35/52/12/774355212.db2.gz ZQZFGMOXJLGFDX-UKRRQHHQSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001058623000 774559776 /nfs/dbraw/zinc/55/97/76/774559776.db2.gz AZHHXOKTZRAWLV-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001058623198 774560892 /nfs/dbraw/zinc/56/08/92/774560892.db2.gz JWOHDTKCANJDSW-LSDHHAIUSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)c2cc(CC)[nH]n2)C1=O ZINC001044933978 774744250 /nfs/dbraw/zinc/74/42/50/774744250.db2.gz ZBGSZZCSHGBLOH-LSDHHAIUSA-N 1 1 345.447 0.953 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001044998725 774814936 /nfs/dbraw/zinc/81/49/36/774814936.db2.gz MMWRBLKXAANELA-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001045003263 774822665 /nfs/dbraw/zinc/82/26/65/774822665.db2.gz OXPHZIZIHGDDFJ-UHFFFAOYSA-N 1 1 335.448 0.354 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(c4cncc(C#N)n4)[C@H]3C2)C1 ZINC001045041302 774886027 /nfs/dbraw/zinc/88/60/27/774886027.db2.gz NDJFIHAWUUFNQF-DZKIICNBSA-N 1 1 340.431 0.727 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1=O ZINC001043874488 775174083 /nfs/dbraw/zinc/17/40/83/775174083.db2.gz HQUWTPFVRCUBOF-GDBMZVCRSA-N 1 1 334.464 0.258 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001043879372 775192455 /nfs/dbraw/zinc/19/24/55/775192455.db2.gz JXOLYSMRDLHPRM-INIZCTEOSA-N 1 1 348.491 0.648 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001045290042 775328763 /nfs/dbraw/zinc/32/87/63/775328763.db2.gz DTFBAQDOFZVAJO-INIZCTEOSA-N 1 1 338.415 0.515 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2conc2CC)[C@@H](n2ccnn2)C1 ZINC001070021297 790350620 /nfs/dbraw/zinc/35/06/20/790350620.db2.gz RHZWTSLEBBRYTA-CABCVRRESA-N 1 1 328.376 0.507 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2conc2CC)[C@@H](n2ccnn2)C1 ZINC001070021297 790350630 /nfs/dbraw/zinc/35/06/30/790350630.db2.gz RHZWTSLEBBRYTA-CABCVRRESA-N 1 1 328.376 0.507 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccnc(OCC)c2)[C@@H](n2ccnn2)C1 ZINC001070022295 790355113 /nfs/dbraw/zinc/35/51/13/790355113.db2.gz HAJGJGIBMJEZMB-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OCC)c2)[C@@H](n2ccnn2)C1 ZINC001070022295 790355130 /nfs/dbraw/zinc/35/51/30/790355130.db2.gz HAJGJGIBMJEZMB-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001044011554 775509975 /nfs/dbraw/zinc/50/99/75/775509975.db2.gz QXDZJHBPNNUJBH-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044012009 775512365 /nfs/dbraw/zinc/51/23/65/775512365.db2.gz ZFWONTIMLLMKHH-PBHICJAKSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001045458456 775639805 /nfs/dbraw/zinc/63/98/05/775639805.db2.gz CSMMSDSDWJOUAN-AWEZNQCLSA-N 1 1 346.431 0.806 20 30 ECEDMO C#Cc1ccc(C(=O)NC2(C)CC[NH+](CC(=O)NC3CC3)CC2)nc1 ZINC001045625601 775914612 /nfs/dbraw/zinc/91/46/12/775914612.db2.gz UQQYFOZWCSOONM-UHFFFAOYSA-N 1 1 340.427 0.926 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001068497095 790408419 /nfs/dbraw/zinc/40/84/19/790408419.db2.gz LTZSFRUFLILBOR-KBRIMQKVSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001068497095 790408426 /nfs/dbraw/zinc/40/84/26/790408426.db2.gz LTZSFRUFLILBOR-KBRIMQKVSA-N 1 1 343.431 0.981 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068496968 790408783 /nfs/dbraw/zinc/40/87/83/790408783.db2.gz JJACFJBDEQWJSN-BIQWYFBQSA-N 1 1 342.447 0.950 20 30 ECEDMO C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)C3=NC(=O)N(C)C3)C2)CC1 ZINC001045679616 776027331 /nfs/dbraw/zinc/02/73/31/776027331.db2.gz LWGWPRGUILXNGS-CYBMUJFWSA-N 1 1 334.420 0.913 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001044291458 776070649 /nfs/dbraw/zinc/07/06/49/776070649.db2.gz RYJZKKGCZZLDFK-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044303359 776103829 /nfs/dbraw/zinc/10/38/29/776103829.db2.gz VOLKFAFKNUGHES-UHFFFAOYSA-N 1 1 345.871 0.796 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001044475593 776336629 /nfs/dbraw/zinc/33/66/29/776336629.db2.gz VLIGPBCVDPDHPN-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001044475649 776337149 /nfs/dbraw/zinc/33/71/49/776337149.db2.gz XIKAAMPHWOCBKV-ZDUSSCGKSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001044484551 776347145 /nfs/dbraw/zinc/34/71/45/776347145.db2.gz NYWVHFNVNJKUDS-JKSUJKDBSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001044485145 776348119 /nfs/dbraw/zinc/34/81/19/776348119.db2.gz YGVVKGFBTFGMIV-UHFFFAOYSA-N 1 1 349.475 0.744 20 30 ECEDMO Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)c1C#N ZINC001044685092 776633887 /nfs/dbraw/zinc/63/38/87/776633887.db2.gz QFQSYKVLDGWVCT-OXHZDVMGSA-N 1 1 349.460 0.329 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)c(C#N)cn1 ZINC001044685039 776633935 /nfs/dbraw/zinc/63/39/35/776633935.db2.gz OMKZJKSTWQLQTO-MMTVNHQJSA-N 1 1 343.431 0.268 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079690566 776693823 /nfs/dbraw/zinc/69/38/23/776693823.db2.gz XZQSOTACDMWOFK-DDUZABMNSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc3[nH]cnc32)[C@@H](n2ccnn2)C1 ZINC001070058853 790472952 /nfs/dbraw/zinc/47/29/52/790472952.db2.gz YWZJULYULDBQCE-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cccc3[nH]cnc32)[C@@H](n2ccnn2)C1 ZINC001070058853 790472958 /nfs/dbraw/zinc/47/29/58/790472958.db2.gz YWZJULYULDBQCE-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001079741522 776785832 /nfs/dbraw/zinc/78/58/32/776785832.db2.gz LDACZKBWFBUKLD-MRXNPFEDSA-N 1 1 333.432 0.180 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001079741522 776785836 /nfs/dbraw/zinc/78/58/36/776785836.db2.gz LDACZKBWFBUKLD-MRXNPFEDSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001079772316 776838893 /nfs/dbraw/zinc/83/88/93/776838893.db2.gz OTAQONWUEFBHKC-UHFFFAOYSA-N 1 1 337.464 0.818 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)nn2C)[C@@H](n2ccnn2)C1 ZINC001070068294 790496998 /nfs/dbraw/zinc/49/69/98/790496998.db2.gz RRIQQMAQMFQTLX-ZBFHGGJFSA-N 1 1 343.435 0.976 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)nn2C)[C@@H](n2ccnn2)C1 ZINC001070068294 790497003 /nfs/dbraw/zinc/49/70/03/790497003.db2.gz RRIQQMAQMFQTLX-ZBFHGGJFSA-N 1 1 343.435 0.976 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001079866018 776997926 /nfs/dbraw/zinc/99/79/26/776997926.db2.gz OVCSRIZJJBOBIQ-MRXNPFEDSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001079866018 776997933 /nfs/dbraw/zinc/99/79/33/776997933.db2.gz OVCSRIZJJBOBIQ-MRXNPFEDSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1C ZINC001079878294 777011984 /nfs/dbraw/zinc/01/19/84/777011984.db2.gz QNEQRGNURCARKB-OIISXLGYSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1C ZINC001079878294 777011992 /nfs/dbraw/zinc/01/19/92/777011992.db2.gz QNEQRGNURCARKB-OIISXLGYSA-N 1 1 329.448 0.454 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001079911310 777059434 /nfs/dbraw/zinc/05/94/34/777059434.db2.gz KSXLKRRGPVVJSY-MRVWCRGKSA-N 1 1 345.403 0.019 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001079947727 777129087 /nfs/dbraw/zinc/12/90/87/777129087.db2.gz LCELHAKXIQZELR-RBSFLKMASA-N 1 1 330.432 0.918 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001080009088 777221367 /nfs/dbraw/zinc/22/13/67/777221367.db2.gz PVTRQLBDWIPRID-KRWDZBQOSA-N 1 1 348.491 0.485 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](C)COC)C1 ZINC001080008957 777221865 /nfs/dbraw/zinc/22/18/65/777221865.db2.gz KKWOZOHXOMAUBT-HOCLYGCPSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](C)COC)C1 ZINC001080008957 777221873 /nfs/dbraw/zinc/22/18/73/777221873.db2.gz KKWOZOHXOMAUBT-HOCLYGCPSA-N 1 1 335.448 0.426 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001068540009 790519180 /nfs/dbraw/zinc/51/91/80/790519180.db2.gz WRKIYGIZWQNWSR-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001080107487 777401536 /nfs/dbraw/zinc/40/15/36/777401536.db2.gz GXOUYEJAUVXLOY-UHFFFAOYSA-N 1 1 332.404 0.291 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2)[C@@H](n2ccnn2)C1 ZINC001070082483 790540968 /nfs/dbraw/zinc/54/09/68/790540968.db2.gz OFSJMBCTQPMBOF-SJORKVTESA-N 1 1 339.399 0.965 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001080189819 777522912 /nfs/dbraw/zinc/52/29/12/777522912.db2.gz NQRYWZGPSTVWRY-IUODEOHRSA-N 1 1 327.392 0.684 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cccnc3C2)[C@@H](n2ccnn2)C1 ZINC001070084444 790548068 /nfs/dbraw/zinc/54/80/68/790548068.db2.gz CRNVUPWIESWIJH-OIISXLGYSA-N 1 1 338.415 0.616 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cccnc3C2)[C@@H](n2ccnn2)C1 ZINC001070084444 790548076 /nfs/dbraw/zinc/54/80/76/790548076.db2.gz CRNVUPWIESWIJH-OIISXLGYSA-N 1 1 338.415 0.616 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O ZINC001080288544 777649670 /nfs/dbraw/zinc/64/96/70/777649670.db2.gz XBQNIETTYHBKFC-XOKHGSTOSA-N 1 1 340.427 0.973 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)C1=O ZINC001043099225 777728211 /nfs/dbraw/zinc/72/82/11/777728211.db2.gz GVZSEFMBCQMIID-HZPDHXFCSA-N 1 1 334.464 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2ncc[nH]2)C1 ZINC001080353941 777740356 /nfs/dbraw/zinc/74/03/56/777740356.db2.gz SBLAELLZUCZSEE-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2ncc[nH]2)C1 ZINC001080353941 777740363 /nfs/dbraw/zinc/74/03/63/777740363.db2.gz SBLAELLZUCZSEE-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360847 777749489 /nfs/dbraw/zinc/74/94/89/777749489.db2.gz LHPBVKUCVALPLB-WKPIXPDZSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360847 777749496 /nfs/dbraw/zinc/74/94/96/777749496.db2.gz LHPBVKUCVALPLB-WKPIXPDZSA-N 1 1 345.378 0.315 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1 ZINC001070088851 790564668 /nfs/dbraw/zinc/56/46/68/790564668.db2.gz IOSPYMLRAWLOLB-KGLIPLIRSA-N 1 1 328.376 0.610 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001043130505 777788452 /nfs/dbraw/zinc/78/84/52/777788452.db2.gz RUUZFUKGEDFIJA-UHFFFAOYSA-N 1 1 332.404 0.237 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001043187705 777912365 /nfs/dbraw/zinc/91/23/65/777912365.db2.gz PJNHTMICCQBLGH-OAHLLOKOSA-N 1 1 335.448 0.539 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043187847 777913602 /nfs/dbraw/zinc/91/36/02/777913602.db2.gz VZWAXKTVQGZNQU-GDBMZVCRSA-N 1 1 349.475 0.785 20 30 ECEDMO C=C1CC(C)(C(=O)N(CC)C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001080497691 777938097 /nfs/dbraw/zinc/93/80/97/777938097.db2.gz QLTLUFYYXBNAKC-OAHLLOKOSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N(CC)C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001080497691 777938102 /nfs/dbraw/zinc/93/81/02/777938102.db2.gz QLTLUFYYXBNAKC-OAHLLOKOSA-N 1 1 335.448 0.733 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)nn2)C1 ZINC001043206586 777957965 /nfs/dbraw/zinc/95/79/65/777957965.db2.gz UOYAQEYRKQDGMG-BXUZGUMPSA-N 1 1 325.376 0.812 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001080533425 777973563 /nfs/dbraw/zinc/97/35/63/777973563.db2.gz DVHAISFVUKQLAQ-KRWDZBQOSA-N 1 1 348.491 0.485 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001080533706 777975440 /nfs/dbraw/zinc/97/54/40/777975440.db2.gz PMFXMXARMRWKFT-CVEARBPZSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001080557634 778023053 /nfs/dbraw/zinc/02/30/53/778023053.db2.gz BLXKHEAPFYAWQH-ZBFHGGJFSA-N 1 1 337.464 0.836 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001080574712 778069393 /nfs/dbraw/zinc/06/93/93/778069393.db2.gz NQFZMSPGFYQJMW-CVEARBPZSA-N 1 1 337.464 0.977 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)CC[N@H+]1C ZINC001043271257 778077037 /nfs/dbraw/zinc/07/70/37/778077037.db2.gz DVUUMSLTKOAJML-LSDHHAIUSA-N 1 1 335.448 0.066 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2C)nn1 ZINC001080580451 778085625 /nfs/dbraw/zinc/08/56/25/778085625.db2.gz ZSBWHORZZNVTIP-RBSFLKMASA-N 1 1 333.436 0.941 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)O1 ZINC001068568983 790594307 /nfs/dbraw/zinc/59/43/07/790594307.db2.gz MXOOJTANGHEAEN-HZPDHXFCSA-N 1 1 347.459 0.616 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001043319342 778152125 /nfs/dbraw/zinc/15/21/25/778152125.db2.gz FEFDDZVBQNSEQV-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001043348356 778201462 /nfs/dbraw/zinc/20/14/62/778201462.db2.gz OKNNATPNRNKSPR-OAHLLOKOSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001043415668 778292823 /nfs/dbraw/zinc/29/28/23/778292823.db2.gz RWZKLJGHVHIADO-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043430852 778317654 /nfs/dbraw/zinc/31/76/54/778317654.db2.gz MZXXSSOIFVOTOM-UHFFFAOYSA-N 1 1 337.464 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2C#N)C1 ZINC001043591405 778556266 /nfs/dbraw/zinc/55/62/66/778556266.db2.gz YUGYVKRQENXYLU-BMFZPTHFSA-N 1 1 338.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2C#N)C1 ZINC001043591405 778556270 /nfs/dbraw/zinc/55/62/70/778556270.db2.gz YUGYVKRQENXYLU-BMFZPTHFSA-N 1 1 338.415 0.705 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001070109469 790634255 /nfs/dbraw/zinc/63/42/55/790634255.db2.gz YGFGPSFKYNEYAP-CVEARBPZSA-N 1 1 343.435 0.805 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 ZINC001068587185 790640773 /nfs/dbraw/zinc/64/07/73/790640773.db2.gz SFMWEQDLWJVNBY-ZIAGYGMSSA-N 1 1 336.436 0.362 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001043678359 778707955 /nfs/dbraw/zinc/70/79/55/778707955.db2.gz GSROZXVONNKOJL-JKSUJKDBSA-N 1 1 347.459 0.496 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3ccncc3C#N)C2)O1 ZINC001068615340 790714912 /nfs/dbraw/zinc/71/49/12/790714912.db2.gz PAMTYFYHVNZCEQ-GKLJAUDBSA-N 1 1 343.431 0.401 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3ccncc3C#N)C2)O1 ZINC001068615340 790714917 /nfs/dbraw/zinc/71/49/17/790714917.db2.gz PAMTYFYHVNZCEQ-GKLJAUDBSA-N 1 1 343.431 0.401 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001068622859 790738599 /nfs/dbraw/zinc/73/85/99/790738599.db2.gz MMOXBEQJZDAZSU-JSGCOSHPSA-N 1 1 345.403 0.227 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSCC#N ZINC001078479923 779951825 /nfs/dbraw/zinc/95/18/25/779951825.db2.gz QJHLFRCWMXWQFL-ZDUSSCGKSA-N 1 1 340.493 0.986 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]21 ZINC001042287965 779994317 /nfs/dbraw/zinc/99/43/17/779994317.db2.gz PPRMQGRALKXVPI-IRXDYDNUSA-N 1 1 342.443 0.806 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)C[C@@H]21 ZINC001042292032 780004459 /nfs/dbraw/zinc/00/44/59/780004459.db2.gz LJCLUQSCLWTOHP-HOCLYGCPSA-N 1 1 336.399 0.832 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 ZINC001042311283 780048957 /nfs/dbraw/zinc/04/89/57/780048957.db2.gz IIXXSDJFEISREQ-GJZGRUSLSA-N 1 1 348.447 0.769 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cncnc2C)C[C@@H]1n1ccnn1 ZINC001070149402 790759032 /nfs/dbraw/zinc/75/90/32/790759032.db2.gz ZDCJMYIBSADICR-KGLIPLIRSA-N 1 1 347.810 0.784 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]21 ZINC001042354451 780128659 /nfs/dbraw/zinc/12/86/59/780128659.db2.gz SHDNWMLUKOHRNJ-TZMCWYRMSA-N 1 1 330.388 0.046 20 30 ECEDMO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)cn1 ZINC001070156930 790778186 /nfs/dbraw/zinc/77/81/86/790778186.db2.gz BNWUBMNCSMGFSC-DFBGVHRSSA-N 1 1 340.391 0.078 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001078962283 780656748 /nfs/dbraw/zinc/65/67/48/780656748.db2.gz NRWDOLSNTMDVTI-IAGOWNOFSA-N 1 1 349.475 0.818 20 30 ECEDMO CN(c1ccnc(C#N)n1)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001068663736 790835638 /nfs/dbraw/zinc/83/56/38/790835638.db2.gz JIEOBYZHGURTNZ-AWEZNQCLSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1ccnc(C#N)n1)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001068663736 790835649 /nfs/dbraw/zinc/83/56/49/790835649.db2.gz JIEOBYZHGURTNZ-AWEZNQCLSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1ncccc1C#N)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001068663725 790835082 /nfs/dbraw/zinc/83/50/82/790835082.db2.gz ISMUHOBXKYYIKH-INIZCTEOSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(c1ncccc1C#N)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001068663725 790835097 /nfs/dbraw/zinc/83/50/97/790835097.db2.gz ISMUHOBXKYYIKH-INIZCTEOSA-N 1 1 343.431 0.711 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079341442 781003972 /nfs/dbraw/zinc/00/39/72/781003972.db2.gz CJGKDRHHUQUXOT-UHFFFAOYSA-N 1 1 326.466 0.644 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400551 781077923 /nfs/dbraw/zinc/07/79/23/781077923.db2.gz RYDICZKXLHIPIW-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400551 781077930 /nfs/dbraw/zinc/07/79/30/781077930.db2.gz RYDICZKXLHIPIW-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nccnc2C)C1 ZINC001042962084 781104948 /nfs/dbraw/zinc/10/49/48/781104948.db2.gz CIGWYBBAPGXBNX-KRWDZBQOSA-N 1 1 327.432 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nccnc2C)C1 ZINC001042962084 781104952 /nfs/dbraw/zinc/10/49/52/781104952.db2.gz CIGWYBBAPGXBNX-KRWDZBQOSA-N 1 1 327.432 0.525 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001079429213 781109341 /nfs/dbraw/zinc/10/93/41/781109341.db2.gz BPLFESDXLKGUJL-WQVCFCJDSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001079429213 781109343 /nfs/dbraw/zinc/10/93/43/781109343.db2.gz BPLFESDXLKGUJL-WQVCFCJDSA-N 1 1 345.447 0.566 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)CCc2cnc[nH]2)C1 ZINC001042970536 781118573 /nfs/dbraw/zinc/11/85/73/781118573.db2.gz OLDKJRDJWZYNLJ-UHFFFAOYSA-N 1 1 332.404 0.081 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079447961 781129523 /nfs/dbraw/zinc/12/95/23/781129523.db2.gz YQUCTAQCEDYJJO-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001079460756 781143525 /nfs/dbraw/zinc/14/35/25/781143525.db2.gz BLXWCKTZIMACRV-KCPJHIHWSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001079460756 781143529 /nfs/dbraw/zinc/14/35/29/781143529.db2.gz BLXWCKTZIMACRV-KCPJHIHWSA-N 1 1 331.420 0.555 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001079537718 781238239 /nfs/dbraw/zinc/23/82/39/781238239.db2.gz FLCKLKPZXHNMQQ-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001079537718 781238241 /nfs/dbraw/zinc/23/82/41/781238241.db2.gz FLCKLKPZXHNMQQ-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079540151 781241344 /nfs/dbraw/zinc/24/13/44/781241344.db2.gz PSSFDHQVVFKFCJ-JRPNMDOOSA-N 1 1 329.404 0.604 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079540151 781241347 /nfs/dbraw/zinc/24/13/47/781241347.db2.gz PSSFDHQVVFKFCJ-JRPNMDOOSA-N 1 1 329.404 0.604 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043059864 781256383 /nfs/dbraw/zinc/25/63/83/781256383.db2.gz NAZNESRPHQPDNR-CABCVRRESA-N 1 1 349.475 0.763 20 30 ECEDMO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588607 781290477 /nfs/dbraw/zinc/29/04/77/781290477.db2.gz JZARKMXHASKEIT-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO CN(c1cncc(C#N)n1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001068678677 790877206 /nfs/dbraw/zinc/87/72/06/790877206.db2.gz ATWSEBQUCNWBNR-ZDUSSCGKSA-N 1 1 328.420 0.727 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1O ZINC001041385958 781406906 /nfs/dbraw/zinc/40/69/06/781406906.db2.gz NJPJSTZLWQJZLI-HWMZRRJGSA-N 1 1 346.431 0.740 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@H]2O)c1 ZINC001077649834 781423927 /nfs/dbraw/zinc/42/39/27/781423927.db2.gz HMNSIJRXJSMLIN-KZNAEPCWSA-N 1 1 343.427 0.653 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041420836 781471862 /nfs/dbraw/zinc/47/18/62/781471862.db2.gz FDHZFLJIKNIQJS-RDTXWAMCSA-N 1 1 343.431 0.494 20 30 ECEDMO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)[nH]1 ZINC001077692348 781524255 /nfs/dbraw/zinc/52/42/55/781524255.db2.gz OXVGGHCCRXYLQF-HZPDHXFCSA-N 1 1 339.399 0.873 20 30 ECEDMO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)[nH]1 ZINC001077692348 781524261 /nfs/dbraw/zinc/52/42/61/781524261.db2.gz OXVGGHCCRXYLQF-HZPDHXFCSA-N 1 1 339.399 0.873 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC001041447574 781536712 /nfs/dbraw/zinc/53/67/12/781536712.db2.gz AMHGYBLHMLWHQZ-KRWDZBQOSA-N 1 1 332.404 0.449 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1 ZINC001077706460 781554748 /nfs/dbraw/zinc/55/47/48/781554748.db2.gz MPFBYHCQZJHKGU-ZKXLYKBJSA-N 1 1 341.411 0.787 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1 ZINC001077706460 781554762 /nfs/dbraw/zinc/55/47/62/781554762.db2.gz MPFBYHCQZJHKGU-ZKXLYKBJSA-N 1 1 341.411 0.787 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001077742815 781631101 /nfs/dbraw/zinc/63/11/01/781631101.db2.gz IGFMPLKOFAFTTR-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001077742815 781631109 /nfs/dbraw/zinc/63/11/09/781631109.db2.gz IGFMPLKOFAFTTR-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C2)C1 ZINC001041503073 781645284 /nfs/dbraw/zinc/64/52/84/781645284.db2.gz LDGAUTUJDVVTER-QAPCUYQASA-N 1 1 327.432 0.707 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041613370 781853849 /nfs/dbraw/zinc/85/38/49/781853849.db2.gz GHVIOWLGFPCBNH-GOSISDBHSA-N 1 1 342.399 0.477 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC001077881208 781868854 /nfs/dbraw/zinc/86/88/54/781868854.db2.gz KDTJCWNTCHXLSS-HZPDHXFCSA-N 1 1 329.400 0.464 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC001077881208 781868863 /nfs/dbraw/zinc/86/88/63/781868863.db2.gz KDTJCWNTCHXLSS-HZPDHXFCSA-N 1 1 329.400 0.464 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(c3nccnc3C#N)CCCO2)C1 ZINC001039914989 783273543 /nfs/dbraw/zinc/27/35/43/783273543.db2.gz GXDVLLFNMRPDQX-KGLIPLIRSA-N 1 1 344.419 0.011 20 30 ECEDMO CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)CC1 ZINC001040745479 783361552 /nfs/dbraw/zinc/36/15/52/783361552.db2.gz MBAHSBZGLBZDGP-CQSZACIVSA-N 1 1 326.462 0.757 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001040047129 783435580 /nfs/dbraw/zinc/43/55/80/783435580.db2.gz JEWJRKBHLVLNSH-SFHVURJKSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC001070254416 783750080 /nfs/dbraw/zinc/75/00/80/783750080.db2.gz KAVXFBHORPWXBJ-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001070354380 783873918 /nfs/dbraw/zinc/87/39/18/783873918.db2.gz HAGUGSFWCAJBSE-AAEUAGOBSA-N 1 1 343.391 0.416 20 30 ECEDMO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C#N)c[nH]2)n[nH]1 ZINC001070354380 783873925 /nfs/dbraw/zinc/87/39/25/783873925.db2.gz HAGUGSFWCAJBSE-AAEUAGOBSA-N 1 1 343.391 0.416 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)cc1 ZINC001038118721 783876260 /nfs/dbraw/zinc/87/62/60/783876260.db2.gz FBWHYSREMYKPTR-GOEBONIOSA-N 1 1 342.399 0.558 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)cc1 ZINC001038118721 783876267 /nfs/dbraw/zinc/87/62/67/783876267.db2.gz FBWHYSREMYKPTR-GOEBONIOSA-N 1 1 342.399 0.558 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2cc(C#N)ccc2F)C1 ZINC001038135756 783901387 /nfs/dbraw/zinc/90/13/87/783901387.db2.gz JMYUFLUCOCMLNK-WBVHZDCISA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2cc(C#N)ccc2F)C1 ZINC001038135756 783901390 /nfs/dbraw/zinc/90/13/90/783901390.db2.gz JMYUFLUCOCMLNK-WBVHZDCISA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCc1ccncc1O[C@H]1CCN(CC#N)C1 ZINC001070385448 783929017 /nfs/dbraw/zinc/92/90/17/783929017.db2.gz USKAOBBYNKAQPK-HOTGVXAUSA-N 1 1 343.431 0.769 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ccn(C)n2)C1 ZINC001070388557 783938289 /nfs/dbraw/zinc/93/82/89/783938289.db2.gz KEZVBTGAVUHYNA-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ccn(C)n2)C1 ZINC001070388557 783938294 /nfs/dbraw/zinc/93/82/94/783938294.db2.gz KEZVBTGAVUHYNA-HNNXBMFYSA-N 1 1 339.399 0.831 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H]2CCNC(=O)CC2)c[nH]1 ZINC001038173548 783949607 /nfs/dbraw/zinc/94/96/07/783949607.db2.gz AHHKECYZGRHUBZ-SWLSCSKDSA-N 1 1 329.404 0.607 20 30 ECEDMO C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001070411037 783999867 /nfs/dbraw/zinc/99/98/67/783999867.db2.gz AXTCAHHACCEOEW-IIAWOOMASA-N 1 1 329.448 0.789 20 30 ECEDMO C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001070411037 783999872 /nfs/dbraw/zinc/99/98/72/783999872.db2.gz AXTCAHHACCEOEW-IIAWOOMASA-N 1 1 329.448 0.789 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CCN(CC#N)C2)CC[N@H+]1C ZINC001070411791 784002303 /nfs/dbraw/zinc/00/23/03/784002303.db2.gz YXVNTKGMFXEZBW-UMVBOHGHSA-N 1 1 330.436 0.679 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)cc1 ZINC001038223065 784018098 /nfs/dbraw/zinc/01/80/98/784018098.db2.gz RQFYBUOVXRTTCV-HIFRSBDPSA-N 1 1 344.371 0.388 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)cc1 ZINC001038223065 784018103 /nfs/dbraw/zinc/01/81/03/784018103.db2.gz RQFYBUOVXRTTCV-HIFRSBDPSA-N 1 1 344.371 0.388 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001070421511 784031552 /nfs/dbraw/zinc/03/15/52/784031552.db2.gz NRORLCVAQWDYDT-OCCSQVGLSA-N 1 1 331.420 0.480 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001070424455 784039274 /nfs/dbraw/zinc/03/92/74/784039274.db2.gz LLKGKMZWHSPSNO-LLVKDONJSA-N 1 1 341.371 0.454 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001070429819 784048116 /nfs/dbraw/zinc/04/81/16/784048116.db2.gz RRMACLDIKRICFB-QRTARXTBSA-N 1 1 348.447 0.789 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070440448 784078289 /nfs/dbraw/zinc/07/82/89/784078289.db2.gz GFDOXCOVWJZUIX-CABCVRRESA-N 1 1 345.447 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)COCCC=C)C1 ZINC001070902639 784081669 /nfs/dbraw/zinc/08/16/69/784081669.db2.gz OENAVLKIMNLLNV-SJORKVTESA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)COCCC=C)C1 ZINC001070902639 784081672 /nfs/dbraw/zinc/08/16/72/784081672.db2.gz OENAVLKIMNLLNV-SJORKVTESA-N 1 1 347.459 0.784 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1n[nH]cc1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442640 784085994 /nfs/dbraw/zinc/08/59/94/784085994.db2.gz LGRQANSTAPDBAD-ZDUSSCGKSA-N 1 1 341.419 0.872 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001070906274 784090095 /nfs/dbraw/zinc/09/00/95/784090095.db2.gz YZSRWJWVQWPMMY-CFVMTHIKSA-N 1 1 343.387 0.153 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001070906274 784090102 /nfs/dbraw/zinc/09/01/02/784090102.db2.gz YZSRWJWVQWPMMY-CFVMTHIKSA-N 1 1 343.387 0.153 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001070911632 784101757 /nfs/dbraw/zinc/10/17/57/784101757.db2.gz GRPGWHXHMUMXDC-ZNMIVQPWSA-N 1 1 349.431 0.277 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001070911632 784101762 /nfs/dbraw/zinc/10/17/62/784101762.db2.gz GRPGWHXHMUMXDC-ZNMIVQPWSA-N 1 1 349.431 0.277 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001070913746 784105260 /nfs/dbraw/zinc/10/52/60/784105260.db2.gz WDWJZGLWFLINSM-ZNMIVQPWSA-N 1 1 331.416 0.916 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001070913746 784105266 /nfs/dbraw/zinc/10/52/66/784105266.db2.gz WDWJZGLWFLINSM-ZNMIVQPWSA-N 1 1 331.416 0.916 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@]1(F)CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070449924 784108320 /nfs/dbraw/zinc/10/83/20/784108320.db2.gz YHCLUHLGBBZKQQ-DYVFJYSZSA-N 1 1 349.410 0.656 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001070921748 784119964 /nfs/dbraw/zinc/11/99/64/784119964.db2.gz LTPCHGDXSXYZHE-SJORKVTESA-N 1 1 329.444 0.995 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001070921748 784119966 /nfs/dbraw/zinc/11/99/66/784119966.db2.gz LTPCHGDXSXYZHE-SJORKVTESA-N 1 1 329.444 0.995 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001070936976 784160781 /nfs/dbraw/zinc/16/07/81/784160781.db2.gz DOXSHZNYPRIABB-UHFFFAOYSA-N 1 1 336.823 0.956 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001070936976 784160784 /nfs/dbraw/zinc/16/07/84/784160784.db2.gz DOXSHZNYPRIABB-UHFFFAOYSA-N 1 1 336.823 0.956 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001070480525 784165002 /nfs/dbraw/zinc/16/50/02/784165002.db2.gz KPIAZICFUNWTMU-GXTWGEPZSA-N 1 1 329.408 0.241 20 30 ECEDMO Cn1cnc([C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2NCC#N)c1 ZINC001070502383 784199121 /nfs/dbraw/zinc/19/91/21/784199121.db2.gz NGFSDEORRZHUJO-YQQAZPJKSA-N 1 1 344.463 0.702 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001070547330 784254698 /nfs/dbraw/zinc/25/46/98/784254698.db2.gz XGSAUOHQJZLUAJ-CMPLNLGQSA-N 1 1 335.799 0.489 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070971576 784274219 /nfs/dbraw/zinc/27/42/19/784274219.db2.gz GXTGVVKRTDQGHL-KRWDZBQOSA-N 1 1 348.491 0.535 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cncs2)CC1 ZINC001070971794 784276894 /nfs/dbraw/zinc/27/68/94/784276894.db2.gz RVNZXLUPZDDQIV-UHFFFAOYSA-N 1 1 334.445 0.359 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cncs2)CC1 ZINC001070971794 784276898 /nfs/dbraw/zinc/27/68/98/784276898.db2.gz RVNZXLUPZDDQIV-UHFFFAOYSA-N 1 1 334.445 0.359 20 30 ECEDMO N#CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001070972791 784279764 /nfs/dbraw/zinc/27/97/64/784279764.db2.gz MEWPDRJWAQJVOL-HZPDHXFCSA-N 1 1 347.463 0.177 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@@H]2OC)CC1 ZINC001070976506 784291524 /nfs/dbraw/zinc/29/15/24/784291524.db2.gz GLEHHPVPZCRGFO-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@@H]2OC)CC1 ZINC001070976506 784291530 /nfs/dbraw/zinc/29/15/30/784291530.db2.gz GLEHHPVPZCRGFO-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C1CCC(C(=O)N2CCC(=O)NCC[N@@H+](CCCO)CC2)CC1 ZINC001070994878 784351430 /nfs/dbraw/zinc/35/14/30/784351430.db2.gz HVULGNJFVDLKDB-UHFFFAOYSA-N 1 1 337.464 0.766 20 30 ECEDMO C=C1CCC(C(=O)N2CCC(=O)NCC[N@H+](CCCO)CC2)CC1 ZINC001070994878 784351441 /nfs/dbraw/zinc/35/14/41/784351441.db2.gz HVULGNJFVDLKDB-UHFFFAOYSA-N 1 1 337.464 0.766 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccnc2OC)CC1 ZINC001070995282 784352305 /nfs/dbraw/zinc/35/23/05/784352305.db2.gz YLAJVUSMBDTDBM-UHFFFAOYSA-N 1 1 346.431 0.930 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccnc2OC)CC1 ZINC001070995282 784352314 /nfs/dbraw/zinc/35/23/14/784352314.db2.gz YLAJVUSMBDTDBM-UHFFFAOYSA-N 1 1 346.431 0.930 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC001070996001 784355069 /nfs/dbraw/zinc/35/50/69/784355069.db2.gz DDNORXLYLREAFD-HZPDHXFCSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC001070996001 784355078 /nfs/dbraw/zinc/35/50/78/784355078.db2.gz DDNORXLYLREAFD-HZPDHXFCSA-N 1 1 335.448 0.333 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001070999870 784367754 /nfs/dbraw/zinc/36/77/54/784367754.db2.gz DENOAMCGMUWZGB-INIZCTEOSA-N 1 1 336.480 0.697 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncccn2)CC1 ZINC001071010405 784402792 /nfs/dbraw/zinc/40/27/92/784402792.db2.gz KCASIAFVMWSEEX-UHFFFAOYSA-N 1 1 331.420 0.707 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2ncccn2)CC1 ZINC001071010405 784402797 /nfs/dbraw/zinc/40/27/97/784402797.db2.gz KCASIAFVMWSEEX-UHFFFAOYSA-N 1 1 331.420 0.707 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]c2)n1 ZINC001070595875 784405182 /nfs/dbraw/zinc/40/51/82/784405182.db2.gz QKXZVGFVEQUWCK-KBPBESRZSA-N 1 1 328.376 0.581 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCOC2)n1 ZINC001070595645 784405323 /nfs/dbraw/zinc/40/53/23/784405323.db2.gz HNSMQXWVQICXCK-JYJNAYRXSA-N 1 1 346.431 0.971 20 30 ECEDMO C#CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001070599317 784413776 /nfs/dbraw/zinc/41/37/76/784413776.db2.gz TZVIEGTZFGZIBL-JYJNAYRXSA-N 1 1 345.447 0.496 20 30 ECEDMO C#CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001070599317 784413782 /nfs/dbraw/zinc/41/37/82/784413782.db2.gz TZVIEGTZFGZIBL-JYJNAYRXSA-N 1 1 345.447 0.496 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCNC2=O)n1 ZINC001070604714 784424074 /nfs/dbraw/zinc/42/40/74/784424074.db2.gz VVDVQMNROSNXOQ-BFHYXJOUSA-N 1 1 347.419 0.233 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001070604705 784424404 /nfs/dbraw/zinc/42/44/04/784424404.db2.gz VLAIVLIOAUTAPN-LVNYTYFRSA-N 1 1 346.431 0.989 20 30 ECEDMO C#CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001070606236 784428221 /nfs/dbraw/zinc/42/82/21/784428221.db2.gz TZVIEGTZFGZIBL-HRCADAONSA-N 1 1 345.447 0.496 20 30 ECEDMO C#CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001070606236 784428229 /nfs/dbraw/zinc/42/82/29/784428229.db2.gz TZVIEGTZFGZIBL-HRCADAONSA-N 1 1 345.447 0.496 20 30 ECEDMO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NCC#N ZINC001070660692 784515835 /nfs/dbraw/zinc/51/58/35/784515835.db2.gz NNCDOFGWZVYGOI-KFWWJZLASA-N 1 1 330.436 0.312 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3NCC#N)CC2)C1 ZINC001071098433 784539519 /nfs/dbraw/zinc/53/95/19/784539519.db2.gz NJHQTPHJMXLVAS-KYJSFNMBSA-N 1 1 334.464 0.837 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1c1cncn1C ZINC001070700651 784567955 /nfs/dbraw/zinc/56/79/55/784567955.db2.gz FRRIZVPVBDKDMT-FVQBIDKESA-N 1 1 340.431 0.539 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)[nH]n1)C[C@@H](C)O2 ZINC001071129496 784570530 /nfs/dbraw/zinc/57/05/30/784570530.db2.gz MBRVNAMEIHHLQJ-DYVFJYSZSA-N 1 1 330.388 0.511 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@H+](CC(=O)N3CCC3)C2)O1 ZINC001071164393 784637837 /nfs/dbraw/zinc/63/78/37/784637837.db2.gz MJYITWOSBFNIHI-BEFAXECRSA-N 1 1 345.443 0.324 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@@H+](CC(=O)N3CCC3)C2)O1 ZINC001071164393 784637845 /nfs/dbraw/zinc/63/78/45/784637845.db2.gz MJYITWOSBFNIHI-BEFAXECRSA-N 1 1 345.443 0.324 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccn(C)n1)C[C@H](C)O2 ZINC001071166736 784642410 /nfs/dbraw/zinc/64/24/10/784642410.db2.gz MXWRQZLPDGCOKI-MAUKXSAKSA-N 1 1 330.432 0.678 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccn(C)n1)C[C@H](C)O2 ZINC001071166738 784643063 /nfs/dbraw/zinc/64/30/63/784643063.db2.gz MXWRQZLPDGCOKI-YJBOKZPZSA-N 1 1 330.432 0.678 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 ZINC001071169741 784649593 /nfs/dbraw/zinc/64/95/93/784649593.db2.gz WGTIPDVGSLZJRF-ZBFHGGJFSA-N 1 1 334.424 0.331 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccn3nnnc13)C[C@@H](C)O2 ZINC001071172121 784655488 /nfs/dbraw/zinc/65/54/88/784655488.db2.gz XPVXQKLECVFHQB-DYVFJYSZSA-N 1 1 342.403 0.616 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn(C)c1C)C[C@H](C)O2 ZINC001071172946 784657035 /nfs/dbraw/zinc/65/70/35/784657035.db2.gz CCROPUZTLHHINH-HNAYVOBHSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc3ccnn31)C[C@H](C)O2 ZINC001071175468 784664198 /nfs/dbraw/zinc/66/41/98/784664198.db2.gz FCYHGOHLBSQLEF-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@@H](C)O2 ZINC001071178105 784671038 /nfs/dbraw/zinc/67/10/38/784671038.db2.gz KRMFQDDBQRRZGM-RDTXWAMCSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@@H](C)O2 ZINC001071183149 784682985 /nfs/dbraw/zinc/68/29/85/784682985.db2.gz KBXQUCQXSOWKMG-KDOFPFPSSA-N 1 1 329.400 0.324 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@@H](C)O2 ZINC001071183437 784684372 /nfs/dbraw/zinc/68/43/72/784684372.db2.gz OAUTWROIWZFBFF-KDOFPFPSSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@H](C)O2 ZINC001071183677 784686103 /nfs/dbraw/zinc/68/61/03/784686103.db2.gz RMPLIDJRLJQWJQ-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc3n[nH]nc31)C[C@H](C)O2 ZINC001071189260 784693989 /nfs/dbraw/zinc/69/39/89/784693989.db2.gz IOFYKXCZHGUIQM-SJCJKPOMSA-N 1 1 340.387 0.292 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc3n[nH]nc31)C[C@H](C)O2 ZINC001071189260 784693996 /nfs/dbraw/zinc/69/39/96/784693996.db2.gz IOFYKXCZHGUIQM-SJCJKPOMSA-N 1 1 340.387 0.292 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071189128 784694024 /nfs/dbraw/zinc/69/40/24/784694024.db2.gz GMECVBLOTKQZBE-DNVCBOLYSA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071189128 784694029 /nfs/dbraw/zinc/69/40/29/784694029.db2.gz GMECVBLOTKQZBE-DNVCBOLYSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@H](C)O2 ZINC001071189489 784694194 /nfs/dbraw/zinc/69/41/94/784694194.db2.gz LUJNMAFXWACRTF-GUYCJALGSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@H](C)O2 ZINC001071189489 784694201 /nfs/dbraw/zinc/69/42/01/784694201.db2.gz LUJNMAFXWACRTF-GUYCJALGSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nc(C)cc1C)C[C@H](C)O2 ZINC001071189390 784694426 /nfs/dbraw/zinc/69/44/26/784694426.db2.gz KPJDEWYDCHMKQS-WMZOPIPTSA-N 1 1 330.432 0.825 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc3n[nH]nc31)C[C@H](C)O2 ZINC001071190208 784696521 /nfs/dbraw/zinc/69/65/21/784696521.db2.gz VPYMGROBTFOLMV-SJCJKPOMSA-N 1 1 342.403 0.844 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@H](C)O2 ZINC001071190249 784696985 /nfs/dbraw/zinc/69/69/85/784696985.db2.gz WIFDUJYKGLXQOK-GUYCJALGSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@H](C)O2 ZINC001071190249 784696991 /nfs/dbraw/zinc/69/69/91/784696991.db2.gz WIFDUJYKGLXQOK-GUYCJALGSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cncc1C)C[C@@H](C)O2 ZINC001071191631 784701998 /nfs/dbraw/zinc/70/19/98/784701998.db2.gz HSQVKWVXDAIPGH-SJLPKXTDSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3nnnn3c1)C[C@H](C)O2 ZINC001071193201 784705757 /nfs/dbraw/zinc/70/57/57/784705757.db2.gz XZWTUBUOHCSZKJ-SUMWQHHRSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccnc1)C[C@H](C)O2 ZINC001071195148 784712766 /nfs/dbraw/zinc/71/27/66/784712766.db2.gz SIZBPUNBGJQWMH-WMZOPIPTSA-N 1 1 330.432 0.988 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@@H](C)O2 ZINC001071202407 784724362 /nfs/dbraw/zinc/72/43/62/784724362.db2.gz UWKRAVGQLUKSKM-ACJLOTCBSA-N 1 1 344.415 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ncccc1OC)C[C@@H](C)O2 ZINC001071204855 784731856 /nfs/dbraw/zinc/73/18/56/784731856.db2.gz SPEORQVUGRWRNN-DNVCBOLYSA-N 1 1 343.427 0.958 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001071206414 784736108 /nfs/dbraw/zinc/73/61/08/784736108.db2.gz JWHUJAKSNQGIEK-HNAYVOBHSA-N 1 1 341.411 0.215 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001071206414 784736115 /nfs/dbraw/zinc/73/61/15/784736115.db2.gz JWHUJAKSNQGIEK-HNAYVOBHSA-N 1 1 341.411 0.215 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](Cc3ccccc3C#N)C2)O1 ZINC001071207044 784737386 /nfs/dbraw/zinc/73/73/86/784737386.db2.gz UESOIWWRXCNYPH-ACJLOTCBSA-N 1 1 342.399 0.235 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](Cc3ccccc3C#N)C2)O1 ZINC001071207044 784737389 /nfs/dbraw/zinc/73/73/89/784737389.db2.gz UESOIWWRXCNYPH-ACJLOTCBSA-N 1 1 342.399 0.235 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@H](C)O2 ZINC001071212574 784748850 /nfs/dbraw/zinc/74/88/50/784748850.db2.gz ZUKCBWDSPDHULZ-UGSOOPFHSA-N 1 1 346.431 0.995 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nccc1C)C[C@@H](C)O2 ZINC001071216488 784756750 /nfs/dbraw/zinc/75/67/50/784756750.db2.gz RCBVABGOCWCTNU-SJLPKXTDSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@H+](CC#CC)C3)C2)nn1 ZINC001071216515 784757075 /nfs/dbraw/zinc/75/70/75/784757075.db2.gz RJNYZRYEYGEILT-MAUKXSAKSA-N 1 1 343.431 0.793 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nccc1C)C[C@H](C)O2 ZINC001071216895 784758788 /nfs/dbraw/zinc/75/87/88/784758788.db2.gz XVTVJLFECSVXDW-FUHWJXTLSA-N 1 1 330.432 0.907 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001070862678 784762472 /nfs/dbraw/zinc/76/24/72/784762472.db2.gz CZIUPKGNZQKRQD-PBHICJAKSA-N 1 1 325.453 0.761 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COc1cccnc1)C[C@@H](C)O2 ZINC001071218451 784762793 /nfs/dbraw/zinc/76/27/93/784762793.db2.gz NPGAFYCUAKBNMR-QAPCUYQASA-N 1 1 329.400 0.785 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@H](C)O2 ZINC001071227184 784785611 /nfs/dbraw/zinc/78/56/11/784785611.db2.gz ANEHONXHDJKSTA-GUYCJALGSA-N 1 1 332.404 0.977 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001071236408 784802362 /nfs/dbraw/zinc/80/23/62/784802362.db2.gz UQTJQPCVTLUFLM-UZLBHIALSA-N 1 1 342.439 0.895 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@H](C)O2 ZINC001071240786 784813566 /nfs/dbraw/zinc/81/35/66/784813566.db2.gz KUTASHLMXGWZLV-MAUKXSAKSA-N 1 1 331.416 0.726 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OCC)cn1)C[C@@H](C)O2 ZINC001071246483 784827934 /nfs/dbraw/zinc/82/79/34/784827934.db2.gz VPBOJTOFSYQTCT-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OCC)cn1)C[C@@H](C)O2 ZINC001071246483 784827942 /nfs/dbraw/zinc/82/79/42/784827942.db2.gz VPBOJTOFSYQTCT-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cnnn3C)C2)C(=O)C1 ZINC001071264119 784882924 /nfs/dbraw/zinc/88/29/24/784882924.db2.gz OCJLVZLMTLYSEU-AWEZNQCLSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cnnn3C)C2)C(=O)C1 ZINC001071264119 784882931 /nfs/dbraw/zinc/88/29/31/784882931.db2.gz OCJLVZLMTLYSEU-AWEZNQCLSA-N 1 1 346.435 0.140 20 30 ECEDMO CC#CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C(=O)C1 ZINC001071277528 784924378 /nfs/dbraw/zinc/92/43/78/784924378.db2.gz XMCPBBIBOFVQJA-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001071803557 785127212 /nfs/dbraw/zinc/12/72/12/785127212.db2.gz OEXJCMQHRCODDS-UONOGXRCSA-N 1 1 348.447 0.864 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCn3cccn3)C2)nn1 ZINC001071884129 785269875 /nfs/dbraw/zinc/26/98/75/785269875.db2.gz YEEHICAWZAVTNL-HUUCEWRRSA-N 1 1 343.435 0.944 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@H]1C ZINC001071889722 785275907 /nfs/dbraw/zinc/27/59/07/785275907.db2.gz BWRKWMOYEYPFEX-HUUCEWRRSA-N 1 1 346.435 0.171 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1C ZINC001071549408 785286112 /nfs/dbraw/zinc/28/61/12/785286112.db2.gz QJUJRPRDKJCEIT-KGLIPLIRSA-N 1 1 334.420 0.092 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001071928293 785350391 /nfs/dbraw/zinc/35/03/91/785350391.db2.gz AOXNEXSJZRFJQV-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@@H]1C ZINC001071966936 785434048 /nfs/dbraw/zinc/43/40/48/785434048.db2.gz IUFLVLALEYMRGU-GJZGRUSLSA-N 1 1 345.447 0.374 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@@H]1C ZINC001071701539 785554995 /nfs/dbraw/zinc/55/49/95/785554995.db2.gz KRXBTEVSWSKFPH-KBPBESRZSA-N 1 1 341.415 0.937 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@@H]1C ZINC001071701539 785554999 /nfs/dbraw/zinc/55/49/99/785554999.db2.gz KRXBTEVSWSKFPH-KBPBESRZSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@@H]1C ZINC001071720960 785583697 /nfs/dbraw/zinc/58/36/97/785583697.db2.gz KOZBNXPAFUKFNA-GJZGRUSLSA-N 1 1 341.415 0.488 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@@H]1C ZINC001071725021 785594222 /nfs/dbraw/zinc/59/42/22/785594222.db2.gz PBWOQBWIWOAAFD-WCQYABFASA-N 1 1 344.423 0.853 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001072061186 785598427 /nfs/dbraw/zinc/59/84/27/785598427.db2.gz ZGELLGZDFNFWKU-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1C ZINC001072071591 785619181 /nfs/dbraw/zinc/61/91/81/785619181.db2.gz ZNWBJWRJHJKTNQ-CABCVRRESA-N 1 1 343.493 0.262 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[C@H]1C ZINC001072071591 785619184 /nfs/dbraw/zinc/61/91/84/785619184.db2.gz ZNWBJWRJHJKTNQ-CABCVRRESA-N 1 1 343.493 0.262 20 30 ECEDMO C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072258869 785903855 /nfs/dbraw/zinc/90/38/55/785903855.db2.gz HBUUGWCKTJPLKO-NEPJUHHUSA-N 1 1 342.407 0.298 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](C)C2)nc1 ZINC001072465486 786223612 /nfs/dbraw/zinc/22/36/12/786223612.db2.gz VWGBRTBHDQFJCW-YOEHRIQHSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3ccco3)C2)C1=O ZINC001073517693 786452108 /nfs/dbraw/zinc/45/21/08/786452108.db2.gz WQOCHRXNXQSWCN-LSDHHAIUSA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)c3ccco3)C2)C1=O ZINC001073517693 786452112 /nfs/dbraw/zinc/45/21/12/786452112.db2.gz WQOCHRXNXQSWCN-LSDHHAIUSA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)c3ccon3)C2)C1=O ZINC001073541768 786523824 /nfs/dbraw/zinc/52/38/24/786523824.db2.gz XLYKBPCGAAYWIA-UKRRQHHQSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)c3ccon3)C2)C1=O ZINC001073541768 786523827 /nfs/dbraw/zinc/52/38/27/786523827.db2.gz XLYKBPCGAAYWIA-UKRRQHHQSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3ccon3)C2)C1=O ZINC001073541766 786524414 /nfs/dbraw/zinc/52/44/14/786524414.db2.gz XLYKBPCGAAYWIA-DZGCQCFKSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)c3ccon3)C2)C1=O ZINC001073541766 786524420 /nfs/dbraw/zinc/52/44/20/786524420.db2.gz XLYKBPCGAAYWIA-DZGCQCFKSA-N 1 1 348.403 0.282 20 30 ECEDMO C=C(Cl)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073562469 786610369 /nfs/dbraw/zinc/61/03/69/786610369.db2.gz VTLLTJJRIPQERA-KBPBESRZSA-N 1 1 331.844 0.277 20 30 ECEDMO C=C(Cl)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073562469 786610373 /nfs/dbraw/zinc/61/03/73/786610373.db2.gz VTLLTJJRIPQERA-KBPBESRZSA-N 1 1 331.844 0.277 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@H]21 ZINC001074294792 786616356 /nfs/dbraw/zinc/61/63/56/786616356.db2.gz SUNMOTIUQGRMQD-CABCVRRESA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@H]21 ZINC001074294792 786616361 /nfs/dbraw/zinc/61/63/61/786616361.db2.gz SUNMOTIUQGRMQD-CABCVRRESA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@@H]21 ZINC001074297815 786624626 /nfs/dbraw/zinc/62/46/26/786624626.db2.gz UXOOKNMHOXTALM-LSDHHAIUSA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@@H]21 ZINC001074297815 786624631 /nfs/dbraw/zinc/62/46/31/786624631.db2.gz UXOOKNMHOXTALM-LSDHHAIUSA-N 1 1 342.403 0.616 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073567895 786631140 /nfs/dbraw/zinc/63/11/40/786631140.db2.gz FKVXBBDUIDRHNG-OCCSQVGLSA-N 1 1 347.419 0.184 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073567895 786631148 /nfs/dbraw/zinc/63/11/48/786631148.db2.gz FKVXBBDUIDRHNG-OCCSQVGLSA-N 1 1 347.419 0.184 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001073569131 786634954 /nfs/dbraw/zinc/63/49/54/786634954.db2.gz LMDSJYAITIKTKO-UHFFFAOYSA-N 1 1 346.475 0.097 20 30 ECEDMO Cn1cncc1C[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073577015 786660437 /nfs/dbraw/zinc/66/04/37/786660437.db2.gz JXLWPGRIKYYNHS-INIZCTEOSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1cncc1C[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073577015 786660443 /nfs/dbraw/zinc/66/04/43/786660443.db2.gz JXLWPGRIKYYNHS-INIZCTEOSA-N 1 1 342.403 0.641 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 ZINC001074335712 786698304 /nfs/dbraw/zinc/69/83/04/786698304.db2.gz CLEJDMFPKROLDL-JKSUJKDBSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 ZINC001074335712 786698309 /nfs/dbraw/zinc/69/83/09/786698309.db2.gz CLEJDMFPKROLDL-JKSUJKDBSA-N 1 1 331.416 0.877 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@H]3C2)c1 ZINC001074336273 786700473 /nfs/dbraw/zinc/70/04/73/786700473.db2.gz MSRCBNWIPSPYPJ-DLBZAZTESA-N 1 1 329.400 0.625 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@H]3C2)c1 ZINC001074336273 786700479 /nfs/dbraw/zinc/70/04/79/786700479.db2.gz MSRCBNWIPSPYPJ-DLBZAZTESA-N 1 1 329.400 0.625 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074340508 786709678 /nfs/dbraw/zinc/70/96/78/786709678.db2.gz JUTFAUWZQSWHAN-HOTGVXAUSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074340508 786709688 /nfs/dbraw/zinc/70/96/88/786709688.db2.gz JUTFAUWZQSWHAN-HOTGVXAUSA-N 1 1 346.431 0.995 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001073603265 786752565 /nfs/dbraw/zinc/75/25/65/786752565.db2.gz BDHWPJSPRYDTEK-AWEZNQCLSA-N 1 1 331.420 0.387 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001073615378 786774467 /nfs/dbraw/zinc/77/44/67/786774467.db2.gz JJZTWCLDVROOTR-CQSZACIVSA-N 1 1 344.419 0.911 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001073617614 786778488 /nfs/dbraw/zinc/77/84/88/786778488.db2.gz IQQIVKAPTXEISR-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001073617614 786778497 /nfs/dbraw/zinc/77/84/97/786778497.db2.gz IQQIVKAPTXEISR-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@@H]21 ZINC001074377343 786798701 /nfs/dbraw/zinc/79/87/01/786798701.db2.gz JPBMSJUTIRNMQV-LSDHHAIUSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@@H]21 ZINC001074377343 786798706 /nfs/dbraw/zinc/79/87/06/786798706.db2.gz JPBMSJUTIRNMQV-LSDHHAIUSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001073634433 786829813 /nfs/dbraw/zinc/82/98/13/786829813.db2.gz RTEPAZZHQLYABF-JTQLQIEISA-N 1 1 330.310 0.882 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001073634433 786829826 /nfs/dbraw/zinc/82/98/26/786829826.db2.gz RTEPAZZHQLYABF-JTQLQIEISA-N 1 1 330.310 0.882 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@H]21 ZINC001074393193 786838214 /nfs/dbraw/zinc/83/82/14/786838214.db2.gz WWFNPGDQKAHRBN-HUUCEWRRSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@H]21 ZINC001074393193 786838222 /nfs/dbraw/zinc/83/82/22/786838222.db2.gz WWFNPGDQKAHRBN-HUUCEWRRSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001073645364 786861806 /nfs/dbraw/zinc/86/18/06/786861806.db2.gz KUVNOYQSZBOICZ-CQSZACIVSA-N 1 1 334.420 0.810 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCn3nccc32)C1 ZINC001073667861 786919357 /nfs/dbraw/zinc/91/93/57/786919357.db2.gz PYUIVIXHXOYLAZ-JKSUJKDBSA-N 1 1 330.432 0.991 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001073668024 786921454 /nfs/dbraw/zinc/92/14/54/786921454.db2.gz UOLWWHFCDLKIRE-CYBMUJFWSA-N 1 1 340.383 0.789 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001073668024 786921458 /nfs/dbraw/zinc/92/14/58/786921458.db2.gz UOLWWHFCDLKIRE-CYBMUJFWSA-N 1 1 340.383 0.789 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 ZINC001073667985 786921483 /nfs/dbraw/zinc/92/14/83/786921483.db2.gz SZHZPZFRHNWPEP-OAHLLOKOSA-N 1 1 334.420 0.580 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001073680971 786957288 /nfs/dbraw/zinc/95/72/88/786957288.db2.gz AMRIOGUAWWPSOW-INIZCTEOSA-N 1 1 341.411 0.659 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001073680971 786957296 /nfs/dbraw/zinc/95/72/96/786957296.db2.gz AMRIOGUAWWPSOW-INIZCTEOSA-N 1 1 341.411 0.659 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3ncnn32)C1 ZINC001073681460 786959071 /nfs/dbraw/zinc/95/90/71/786959071.db2.gz OGOWBKIILMNZGF-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001073686910 786969781 /nfs/dbraw/zinc/96/97/81/786969781.db2.gz DNJUFSKEFDMFCV-LSDHHAIUSA-N 1 1 336.436 0.008 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001073690108 786974022 /nfs/dbraw/zinc/97/40/22/786974022.db2.gz MKAFSQFMRPERFV-GFCCVEGCSA-N 1 1 328.376 0.197 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2nnc3ccccc3n2)C1 ZINC001073696707 786989254 /nfs/dbraw/zinc/98/92/54/786989254.db2.gz MVIXYMCBZOXTJX-CQSZACIVSA-N 1 1 339.399 0.869 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001073696768 786989603 /nfs/dbraw/zinc/98/96/03/786989603.db2.gz ODTJUCKYBGKONO-AWEZNQCLSA-N 1 1 344.419 0.760 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001073713550 787031566 /nfs/dbraw/zinc/03/15/66/787031566.db2.gz DSFVJMZGIOYSQP-INIZCTEOSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001073713550 787031576 /nfs/dbraw/zinc/03/15/76/787031576.db2.gz DSFVJMZGIOYSQP-INIZCTEOSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001073716453 787040071 /nfs/dbraw/zinc/04/00/71/787040071.db2.gz CXOHUUFXXAFBPH-OAHLLOKOSA-N 1 1 341.415 0.731 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001073716453 787040077 /nfs/dbraw/zinc/04/00/77/787040077.db2.gz CXOHUUFXXAFBPH-OAHLLOKOSA-N 1 1 341.415 0.731 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)c3cnco3)C2)C1=O ZINC001073716327 787040118 /nfs/dbraw/zinc/04/01/18/787040118.db2.gz AAHSNZHWWUEPDN-KGLIPLIRSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)c3cnco3)C2)C1=O ZINC001073716327 787040129 /nfs/dbraw/zinc/04/01/29/787040129.db2.gz AAHSNZHWWUEPDN-KGLIPLIRSA-N 1 1 348.403 0.282 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001073717061 787042964 /nfs/dbraw/zinc/04/29/64/787042964.db2.gz UWXPSOCEQVRQQZ-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001073717061 787042973 /nfs/dbraw/zinc/04/29/73/787042973.db2.gz UWXPSOCEQVRQQZ-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](CC)C(N)=O)CCCO2)cc1 ZINC001073724493 787064246 /nfs/dbraw/zinc/06/42/46/787064246.db2.gz XIFWSQWTRRFMDM-IAGOWNOFSA-N 1 1 343.427 0.753 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)CCCO2)cc1 ZINC001073724493 787064254 /nfs/dbraw/zinc/06/42/54/787064254.db2.gz XIFWSQWTRRFMDM-IAGOWNOFSA-N 1 1 343.427 0.753 20 30 ECEDMO C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073740017 787091446 /nfs/dbraw/zinc/09/14/46/787091446.db2.gz AVSMTYGWBZITPJ-HZPDHXFCSA-N 1 1 325.453 0.489 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073740017 787091462 /nfs/dbraw/zinc/09/14/62/787091462.db2.gz AVSMTYGWBZITPJ-HZPDHXFCSA-N 1 1 325.453 0.489 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001073749468 787124450 /nfs/dbraw/zinc/12/44/50/787124450.db2.gz ZQXMGTPTEUFQQR-CYBMUJFWSA-N 1 1 342.403 0.207 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001073772213 787174174 /nfs/dbraw/zinc/17/41/74/787174174.db2.gz IGLPDHCKXQUGEP-CQSZACIVSA-N 1 1 344.415 0.333 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001073779046 787189725 /nfs/dbraw/zinc/18/97/25/787189725.db2.gz OYVSXQCCAUYHIH-LSDHHAIUSA-N 1 1 348.451 0.409 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001073781443 787190299 /nfs/dbraw/zinc/19/02/99/787190299.db2.gz CKWFQDMKNKDRDH-AWEZNQCLSA-N 1 1 346.431 0.195 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001073794975 787214682 /nfs/dbraw/zinc/21/46/82/787214682.db2.gz XGNWXUZHVTYMRE-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073795859 787217419 /nfs/dbraw/zinc/21/74/19/787217419.db2.gz GTKAATYUVRZBEE-HNNXBMFYSA-N 1 1 342.461 0.042 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073795859 787217426 /nfs/dbraw/zinc/21/74/26/787217426.db2.gz GTKAATYUVRZBEE-HNNXBMFYSA-N 1 1 342.461 0.042 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCOC)CCCO1 ZINC001073810016 787240805 /nfs/dbraw/zinc/24/08/05/787240805.db2.gz FQJPXTKFJUQWOD-JYJNAYRXSA-N 1 1 326.437 0.821 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001073819027 787260824 /nfs/dbraw/zinc/26/08/24/787260824.db2.gz VWSCXGKNESKPAL-JTQLQIEISA-N 1 1 330.310 0.882 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001073819027 787260829 /nfs/dbraw/zinc/26/08/29/787260829.db2.gz VWSCXGKNESKPAL-JTQLQIEISA-N 1 1 330.310 0.882 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001073824350 787276432 /nfs/dbraw/zinc/27/64/32/787276432.db2.gz QYWZWOQJRXERJF-MRXNPFEDSA-N 1 1 344.415 0.884 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001074579269 787308991 /nfs/dbraw/zinc/30/89/91/787308991.db2.gz APDYIJCYWLZQPP-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001073837154 787317389 /nfs/dbraw/zinc/31/73/89/787317389.db2.gz LZSMPWXYCFNMOL-CQSZACIVSA-N 1 1 334.420 0.901 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001073844413 787337643 /nfs/dbraw/zinc/33/76/43/787337643.db2.gz QTFCFFBTTLMWSQ-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001073844413 787337654 /nfs/dbraw/zinc/33/76/54/787337654.db2.gz QTFCFFBTTLMWSQ-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001073847796 787347128 /nfs/dbraw/zinc/34/71/28/787347128.db2.gz KBTKWHDLGUAKSV-GJZGRUSLSA-N 1 1 347.419 0.084 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001073859748 787379683 /nfs/dbraw/zinc/37/96/83/787379683.db2.gz RWTJPIYRUNGXCB-UONOGXRCSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001073859748 787379694 /nfs/dbraw/zinc/37/96/94/787379694.db2.gz RWTJPIYRUNGXCB-UONOGXRCSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001073859748 787379698 /nfs/dbraw/zinc/37/96/98/787379698.db2.gz RWTJPIYRUNGXCB-UONOGXRCSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001073859748 787379710 /nfs/dbraw/zinc/37/97/10/787379710.db2.gz RWTJPIYRUNGXCB-UONOGXRCSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001073859748 787379720 /nfs/dbraw/zinc/37/97/20/787379720.db2.gz RWTJPIYRUNGXCB-UONOGXRCSA-N 1 1 333.436 0.693 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1C[N@@H+](CC#CC)CCCO1 ZINC001073861270 787386231 /nfs/dbraw/zinc/38/62/31/787386231.db2.gz ALNVLEQYQNSKHN-INIZCTEOSA-N 1 1 341.411 0.938 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001073883319 787428237 /nfs/dbraw/zinc/42/82/37/787428237.db2.gz JSNSTTBPMXUGFV-QGZVFWFLSA-N 1 1 335.448 0.475 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001073883355 787430467 /nfs/dbraw/zinc/43/04/67/787430467.db2.gz KPTIPAIDRQHDGB-OAHLLOKOSA-N 1 1 346.431 0.497 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001073886220 787436048 /nfs/dbraw/zinc/43/60/48/787436048.db2.gz KETXWJPJUYOGBO-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001073886220 787436052 /nfs/dbraw/zinc/43/60/52/787436052.db2.gz KETXWJPJUYOGBO-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001073886473 787437711 /nfs/dbraw/zinc/43/77/11/787437711.db2.gz PIVVZQQDCATPIJ-OAHLLOKOSA-N 1 1 336.436 0.008 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001073886832 787439039 /nfs/dbraw/zinc/43/90/39/787439039.db2.gz YROKRBCMSPEALY-HNNXBMFYSA-N 1 1 338.452 0.560 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)[C@@H]1C ZINC001074657157 787523312 /nfs/dbraw/zinc/52/33/12/787523312.db2.gz YUZDLFFKYWCWMS-UKMLZYKCSA-N 1 1 333.436 0.875 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001074657392 787524394 /nfs/dbraw/zinc/52/43/94/787524394.db2.gz LBHYEGMMTFQKSR-PBHICJAKSA-N 1 1 348.447 0.102 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1NC(=O)C#CC1CC1 ZINC001073949721 787569510 /nfs/dbraw/zinc/56/95/10/787569510.db2.gz UWUVNAQMAPHLLV-DOTOQJQBSA-N 1 1 347.459 0.475 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N2CCCC2)C3)c1 ZINC001072592696 788386360 /nfs/dbraw/zinc/38/63/60/788386360.db2.gz MYLYRBDKKCBRAK-UHFFFAOYSA-N 1 1 341.415 0.657 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2CCC)[C@@H]1C ZINC001074897900 788516449 /nfs/dbraw/zinc/51/64/49/788516449.db2.gz BVHPENGJWAYZSX-XGUBFFRZSA-N 1 1 348.451 0.753 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cncnc4)C3)C2)C1=O ZINC001072657945 788526489 /nfs/dbraw/zinc/52/64/89/788526489.db2.gz HPKYMIPVAKKMML-HNNXBMFYSA-N 1 1 341.415 0.411 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CC4(F)F)C3)C2)C1=O ZINC001072704615 788621048 /nfs/dbraw/zinc/62/10/48/788621048.db2.gz BOOHBFWZAUSTCL-CHWSQXEVSA-N 1 1 339.386 0.963 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)c1 ZINC001072742157 788689837 /nfs/dbraw/zinc/68/98/37/788689837.db2.gz NNNPDIANJUQESJ-PBHICJAKSA-N 1 1 342.443 0.981 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001075066330 788841698 /nfs/dbraw/zinc/84/16/98/788841698.db2.gz BDYVPUJBCLLFOR-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)N(C)C)C2)C1 ZINC001072813495 788867930 /nfs/dbraw/zinc/86/79/30/788867930.db2.gz UGEZNXZEMCVROY-INIZCTEOSA-N 1 1 331.464 0.924 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cccc4c3oc(=O)n4C)C2)C1 ZINC001072813614 788868940 /nfs/dbraw/zinc/86/89/40/788868940.db2.gz YUQIUBCSUSRKNW-UHFFFAOYSA-N 1 1 325.368 0.913 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@@H](CC)[NH+](C)C)C3)C2)C1=O ZINC001072851460 788962488 /nfs/dbraw/zinc/96/24/88/788962488.db2.gz WFZXRXOBAKOVTN-HZPDHXFCSA-N 1 1 348.491 0.648 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(C(=O)CSCC#N)CC2)C1 ZINC001072889302 789037413 /nfs/dbraw/zinc/03/74/13/789037413.db2.gz WFKHLWLFBAJAGE-CYBMUJFWSA-N 1 1 338.477 0.692 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3sccc3-n3cnnn3)C2)C1 ZINC001072894784 789054515 /nfs/dbraw/zinc/05/45/15/789054515.db2.gz IOERMOQCGNORBU-UHFFFAOYSA-N 1 1 342.428 0.895 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)Cn3nnc4c3CCCC4)C2)C1 ZINC001072988637 789232126 /nfs/dbraw/zinc/23/21/26/789232126.db2.gz FDOLFFXOJIQFTE-UHFFFAOYSA-N 1 1 327.432 0.715 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC001073000921 789258160 /nfs/dbraw/zinc/25/81/60/789258160.db2.gz LUKYPGBLJNFDNE-CQSZACIVSA-N 1 1 330.436 0.736 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001073025357 789294863 /nfs/dbraw/zinc/29/48/63/789294863.db2.gz LFPRVSTWMXBSPU-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001073027241 789299252 /nfs/dbraw/zinc/29/92/52/789299252.db2.gz FUZVXEOGNNDPGH-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)Cn3ncn4nccc4c3=O)C2)C1 ZINC001073030105 789306310 /nfs/dbraw/zinc/30/63/10/789306310.db2.gz QJCUDFXYTSWPCU-UHFFFAOYSA-N 1 1 342.403 0.001 20 30 ECEDMO C#CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001075413101 789339342 /nfs/dbraw/zinc/33/93/42/789339342.db2.gz IPIQAIRMNGCNLK-ZBFHGGJFSA-N 1 1 331.420 0.736 20 30 ECEDMO C#CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001075416249 789344250 /nfs/dbraw/zinc/34/42/50/789344250.db2.gz WJBDEPITPANNAG-AEFFLSMTSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001075416249 789344261 /nfs/dbraw/zinc/34/42/61/789344261.db2.gz WJBDEPITPANNAG-AEFFLSMTSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001075416251 789344609 /nfs/dbraw/zinc/34/46/09/789344609.db2.gz WJBDEPITPANNAG-SJLPKXTDSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001075416251 789344616 /nfs/dbraw/zinc/34/46/16/789344616.db2.gz WJBDEPITPANNAG-SJLPKXTDSA-N 1 1 345.447 0.746 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001073053336 789351595 /nfs/dbraw/zinc/35/15/95/789351595.db2.gz FWTZESZVXDYAMM-CYBMUJFWSA-N 1 1 327.450 0.131 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001073053606 789353181 /nfs/dbraw/zinc/35/31/81/789353181.db2.gz ORDNPSDXKCFDEK-AWEZNQCLSA-N 1 1 341.477 0.521 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cc4c([nH]c3=O)CCOC4)C2)C1 ZINC001073115083 789467508 /nfs/dbraw/zinc/46/75/08/789467508.db2.gz PNBMBVXXJPAOOK-UHFFFAOYSA-N 1 1 327.384 0.641 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001073183602 789586502 /nfs/dbraw/zinc/58/65/02/789586502.db2.gz GTWBCDRNUYUDRR-HUUCEWRRSA-N 1 1 335.448 0.616 20 30 ECEDMO NC(=O)CC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001075632912 789597235 /nfs/dbraw/zinc/59/72/35/789597235.db2.gz UNAXBOQWYWYTPH-GOEBONIOSA-N 1 1 329.375 0.585 20 30 ECEDMO NC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001075632912 789597240 /nfs/dbraw/zinc/59/72/40/789597240.db2.gz UNAXBOQWYWYTPH-GOEBONIOSA-N 1 1 329.375 0.585 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2N(c2ccnc(C#N)n2)CC3)C1 ZINC001069266308 789717823 /nfs/dbraw/zinc/71/78/23/789717823.db2.gz KCVCJVPYTRJTCE-DEYYWGMASA-N 1 1 340.431 0.918 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001073386683 789779284 /nfs/dbraw/zinc/77/92/84/789779284.db2.gz AUBHTVZFRQBYGO-CVEARBPZSA-N 1 1 349.475 0.720 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001073386683 789779291 /nfs/dbraw/zinc/77/92/91/789779291.db2.gz AUBHTVZFRQBYGO-CVEARBPZSA-N 1 1 349.475 0.720 20 30 ECEDMO O=C(Cn1cncn1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001073408199 789797235 /nfs/dbraw/zinc/79/72/35/789797235.db2.gz GPNXRHQRRAAGIP-UHFFFAOYSA-N 1 1 335.411 0.864 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001073412744 789804903 /nfs/dbraw/zinc/80/49/03/789804903.db2.gz GZYVZPAOUOZMMG-NSHDSACASA-N 1 1 340.811 0.261 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001073412744 789804909 /nfs/dbraw/zinc/80/49/09/789804909.db2.gz GZYVZPAOUOZMMG-NSHDSACASA-N 1 1 340.811 0.261 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001069473584 789848622 /nfs/dbraw/zinc/84/86/22/789848622.db2.gz NLUULHJPJVZJFY-KGLIPLIRSA-N 1 1 339.403 0.672 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC(Nc3ccncc3C#N)C2)C1 ZINC001069746441 790004403 /nfs/dbraw/zinc/00/44/03/790004403.db2.gz UVRKGDWQKUPICY-DQPZFDDXSA-N 1 1 343.431 0.497 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC(Nc3ccncc3C#N)C2)C1 ZINC001069746441 790004411 /nfs/dbraw/zinc/00/44/11/790004411.db2.gz UVRKGDWQKUPICY-DQPZFDDXSA-N 1 1 343.431 0.497 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC(Nc3ccc(C#N)nn3)C2)C1 ZINC001069746221 790004902 /nfs/dbraw/zinc/00/49/02/790004902.db2.gz JGCSOYLTIHYRPL-YMAMQOFZSA-N 1 1 344.419 0.470 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC(Nc3ccc(C#N)nn3)C2)C1 ZINC001069746221 790004905 /nfs/dbraw/zinc/00/49/05/790004905.db2.gz JGCSOYLTIHYRPL-YMAMQOFZSA-N 1 1 344.419 0.470 20 30 ECEDMO C=CCOCC(=O)N1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001069752036 790009441 /nfs/dbraw/zinc/00/94/41/790009441.db2.gz AROYNOFZCHDSSX-APWZRJJASA-N 1 1 349.475 0.982 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907622 790176505 /nfs/dbraw/zinc/17/65/05/790176505.db2.gz FWNPLMWVXCLLIY-CABCVRRESA-N 1 1 325.376 0.709 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907622 790176509 /nfs/dbraw/zinc/17/65/09/790176509.db2.gz FWNPLMWVXCLLIY-CABCVRRESA-N 1 1 325.376 0.709 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069908432 790176902 /nfs/dbraw/zinc/17/69/02/790176902.db2.gz WRGRYXTWVVEXAK-KGLIPLIRSA-N 1 1 328.376 0.610 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911657 790180657 /nfs/dbraw/zinc/18/06/57/790180657.db2.gz FKIXZWVRNRSCTF-CABCVRRESA-N 1 1 325.376 0.709 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@@H](n2ccnn2)C1 ZINC001069911793 790180878 /nfs/dbraw/zinc/18/08/78/790180878.db2.gz STPJBBXSNWTRFJ-OLZOCXBDSA-N 1 1 346.391 0.896 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001069914129 790182797 /nfs/dbraw/zinc/18/27/97/790182797.db2.gz UGXWCZVMJPMDEP-CABCVRRESA-N 1 1 327.392 0.690 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@@H](n2ccnn2)C1 ZINC001069933217 790206068 /nfs/dbraw/zinc/20/60/68/790206068.db2.gz LTVPQAWZIONHHH-KGLIPLIRSA-N 1 1 338.375 0.391 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@@H](n2ccnn2)C1 ZINC001069933217 790206073 /nfs/dbraw/zinc/20/60/73/790206073.db2.gz LTVPQAWZIONHHH-KGLIPLIRSA-N 1 1 338.375 0.391 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069943133 790220131 /nfs/dbraw/zinc/22/01/31/790220131.db2.gz CMGDQKULCKIRLT-CVEARBPZSA-N 1 1 341.419 0.652 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945062 790223001 /nfs/dbraw/zinc/22/30/01/790223001.db2.gz DENFMAVNRJMLJH-BBWFWOEESA-N 1 1 346.479 0.784 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001069945610 790223612 /nfs/dbraw/zinc/22/36/12/790223612.db2.gz RMZRJBWTVBMQOI-ZNMIVQPWSA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001069945610 790223618 /nfs/dbraw/zinc/22/36/18/790223618.db2.gz RMZRJBWTVBMQOI-ZNMIVQPWSA-N 1 1 346.435 0.112 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069950146 790230466 /nfs/dbraw/zinc/23/04/66/790230466.db2.gz BSZXAQOCVDBJRS-CABCVRRESA-N 1 1 343.435 0.724 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965890 790252291 /nfs/dbraw/zinc/25/22/91/790252291.db2.gz KUSWSAPZUSLHPH-IKGGRYGDSA-N 1 1 344.463 0.373 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H](n2ccnn2)C1 ZINC001069966123 790252991 /nfs/dbraw/zinc/25/29/91/790252991.db2.gz WJIOBWQCSFRKMF-CABCVRRESA-N 1 1 329.408 0.795 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H](n2ccnn2)C1 ZINC001069966123 790252995 /nfs/dbraw/zinc/25/29/95/790252995.db2.gz WJIOBWQCSFRKMF-CABCVRRESA-N 1 1 329.408 0.795 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001068970900 791525904 /nfs/dbraw/zinc/52/59/04/791525904.db2.gz VWIMXOKIWOPLFE-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001068972874 791528656 /nfs/dbraw/zinc/52/86/56/791528656.db2.gz DBFGJCSYOUPPDJ-TZMCWYRMSA-N 1 1 328.420 0.656 20 30 ECEDMO CC#CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068973358 791530123 /nfs/dbraw/zinc/53/01/23/791530123.db2.gz SDPKQZOFOMKISJ-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)CO2 ZINC001069038898 791632727 /nfs/dbraw/zinc/63/27/27/791632727.db2.gz AVHKJOCALAMBJJ-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2cc(C)ncn2)C1 ZINC001066687467 791990828 /nfs/dbraw/zinc/99/08/28/791990828.db2.gz LFIMIFQXYMZJOM-CVEARBPZSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2cc(C)ncn2)C1 ZINC001066687467 791990837 /nfs/dbraw/zinc/99/08/37/791990837.db2.gz LFIMIFQXYMZJOM-CVEARBPZSA-N 1 1 343.431 0.522 20 30 ECEDMO Cc1cc(N2CCN([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)nc(C)[nH+]1 ZINC001066697776 792015255 /nfs/dbraw/zinc/01/52/55/792015255.db2.gz CMNXYTVFNRBMIJ-XJKSGUPXSA-N 1 1 342.447 0.976 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cnco1 ZINC001067709262 792165356 /nfs/dbraw/zinc/16/53/56/792165356.db2.gz GCCKJUWSTHDAGS-AWEZNQCLSA-N 1 1 332.404 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cnco1 ZINC001067709262 792165361 /nfs/dbraw/zinc/16/53/61/792165361.db2.gz GCCKJUWSTHDAGS-AWEZNQCLSA-N 1 1 332.404 0.693 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(Nc2ccc(C#N)nn2)C1 ZINC001066890284 792288217 /nfs/dbraw/zinc/28/82/17/792288217.db2.gz ITAMKIQPVXKOBY-RHSMWYFYSA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2cnc(C#N)cn2)C1 ZINC001066891177 792293243 /nfs/dbraw/zinc/29/32/43/792293243.db2.gz WLQQWQVHVLDZBL-YOEHRIQHSA-N 1 1 344.419 0.208 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](C)OCC ZINC001066907635 792344937 /nfs/dbraw/zinc/34/49/37/792344937.db2.gz BWRHWDRIMLYIPL-HOTGVXAUSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H](C)OCC ZINC001066907635 792344947 /nfs/dbraw/zinc/34/49/47/792344947.db2.gz BWRHWDRIMLYIPL-HOTGVXAUSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNc2cncc(C#N)n2)C1 ZINC001067897718 792439924 /nfs/dbraw/zinc/43/99/24/792439924.db2.gz HBJSXGUSZATRGQ-XUJLQICISA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNc2cncc(C#N)n2)C1 ZINC001067897718 792439929 /nfs/dbraw/zinc/43/99/29/792439929.db2.gz HBJSXGUSZATRGQ-XUJLQICISA-N 1 1 338.415 0.753 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC[C@@H]1C ZINC001067961898 792509600 /nfs/dbraw/zinc/50/96/00/792509600.db2.gz ZYPKAWJAKMMOKQ-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001067009227 792565902 /nfs/dbraw/zinc/56/59/02/792565902.db2.gz MPEQEKUXVKNDNW-WMLDXEAASA-N 1 1 325.453 0.715 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3ccnc(C#N)n3)CC2(C)C)C1 ZINC001068102477 792674672 /nfs/dbraw/zinc/67/46/72/792674672.db2.gz QKHMVWIYOVKRBF-OLZOCXBDSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3ccnc(C#N)n3)CC2(C)C)C1 ZINC001068102477 792674682 /nfs/dbraw/zinc/67/46/82/792674682.db2.gz QKHMVWIYOVKRBF-OLZOCXBDSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)CC2(C)C)C1 ZINC001068113720 792694494 /nfs/dbraw/zinc/69/44/94/792694494.db2.gz QKEFCEKTXWIQPP-CHWSQXEVSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1ncccc1C#N ZINC001067118996 792717918 /nfs/dbraw/zinc/71/79/18/792717918.db2.gz SDJGKEJZPPSBPX-ZBFHGGJFSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001068157251 792756660 /nfs/dbraw/zinc/75/66/60/792756660.db2.gz BLHHBQUAIIZCDA-APIJFGDWSA-N 1 1 326.404 0.241 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)C1 ZINC001068346452 793094634 /nfs/dbraw/zinc/09/46/34/793094634.db2.gz QLPKVNNVXQFBHJ-SFHVURJKSA-N 1 1 347.459 0.878 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001067430098 793145338 /nfs/dbraw/zinc/14/53/38/793145338.db2.gz MDSDBQMVMAZNCE-HZPDHXFCSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001068398687 793214402 /nfs/dbraw/zinc/21/44/02/793214402.db2.gz AKAKSSLHCQVIHQ-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001068403773 793230432 /nfs/dbraw/zinc/23/04/32/793230432.db2.gz WELLGGMKMNJECL-HZPDHXFCSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCOC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001068423778 793289607 /nfs/dbraw/zinc/28/96/07/793289607.db2.gz VKEOANUVBBECDN-UHFFFAOYSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(Br)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001279673355 837394522 /nfs/dbraw/zinc/39/45/22/837394522.db2.gz ULGRIBLSFKYEHD-LBPRGKRZSA-N 1 1 334.258 0.400 20 30 ECEDMO C=C(Br)CNCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001279673355 837394541 /nfs/dbraw/zinc/39/45/41/837394541.db2.gz ULGRIBLSFKYEHD-LBPRGKRZSA-N 1 1 334.258 0.400 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001267481557 837536134 /nfs/dbraw/zinc/53/61/34/837536134.db2.gz JHSYODDUKIXAQI-HOTGVXAUSA-N 1 1 344.463 0.962 20 30 ECEDMO Cc1cc(C(=O)N2CCC([C@@H](C)[NH2+]CC(=O)NCC#N)CC2)n[nH]1 ZINC001267483367 837540424 /nfs/dbraw/zinc/54/04/24/837540424.db2.gz VWTQDYFYMRFWHH-GFCCVEGCSA-N 1 1 332.408 0.188 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC[C@@H](F)C1)CC(=O)NCC#N ZINC001267508534 837595422 /nfs/dbraw/zinc/59/54/22/837595422.db2.gz XPNMMCGQOCBIBJ-ZIAGYGMSSA-N 1 1 326.416 0.981 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)CC)c1ccccc1 ZINC001267516258 837609177 /nfs/dbraw/zinc/60/91/77/837609177.db2.gz AWXZTKZGWYJPOF-AWEZNQCLSA-N 1 1 332.404 0.855 20 30 ECEDMO C[C@@H]([NH2+][C@@H](CNC(=O)C#CC1CC1)c1ccccc1)C(=O)NC(N)=O ZINC001267519851 837669277 /nfs/dbraw/zinc/66/92/77/837669277.db2.gz JKOBJVSKCLITEM-DOMZBBRYSA-N 1 1 342.399 0.430 20 30 ECEDMO C[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)n1cccc1 ZINC001267523781 837682298 /nfs/dbraw/zinc/68/22/98/837682298.db2.gz MLZUIUMILZZXRE-LSDHHAIUSA-N 1 1 331.420 0.517 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2csnc2C)C1 ZINC001267524482 837682407 /nfs/dbraw/zinc/68/24/07/837682407.db2.gz TWFFTLNMZGYSJI-CYBMUJFWSA-N 1 1 334.445 0.643 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001267542377 837729038 /nfs/dbraw/zinc/72/90/38/837729038.db2.gz VKLNGHPHRPVRBR-OAHLLOKOSA-N 1 1 348.447 0.436 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2cncn2)C1 ZINC001267548669 837745786 /nfs/dbraw/zinc/74/57/86/837745786.db2.gz KLKYLVMVICHVBB-LSDHHAIUSA-N 1 1 348.451 0.282 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2cncn2)C1 ZINC001267548669 837745797 /nfs/dbraw/zinc/74/57/97/837745797.db2.gz KLKYLVMVICHVBB-LSDHHAIUSA-N 1 1 348.451 0.282 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CCNC(=O)c3cnns3)C2)C1=O ZINC001267551251 837751763 /nfs/dbraw/zinc/75/17/63/837751763.db2.gz LZKPWCYQSMIPFK-QWHCGFSZSA-N 1 1 349.460 0.767 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cnn(C)c2)C1 ZINC001267552165 837755532 /nfs/dbraw/zinc/75/55/32/837755532.db2.gz VTUYUDLXGFELAU-KGLIPLIRSA-N 1 1 333.436 0.553 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cc(F)c[nH]2)C1 ZINC001267552290 837756690 /nfs/dbraw/zinc/75/66/90/837756690.db2.gz MBLVOHKFODXLOM-QWHCGFSZSA-N 1 1 334.395 0.734 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001267555963 837762150 /nfs/dbraw/zinc/76/21/50/837762150.db2.gz LFYMQHPFKVGWPB-MRXNPFEDSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001267556289 837763543 /nfs/dbraw/zinc/76/35/43/837763543.db2.gz OYLAIUJLXPGOEP-MRXNPFEDSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C2CCC(O)CC2)C1 ZINC001267556618 837764415 /nfs/dbraw/zinc/76/44/15/837764415.db2.gz RYRMJCYQCZYHPQ-FHERZECASA-N 1 1 335.448 0.115 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001267559718 837769435 /nfs/dbraw/zinc/76/94/35/837769435.db2.gz ASCOQGZMMGHGGA-CYBMUJFWSA-N 1 1 333.388 0.470 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2cc(CN(C)C)on2)C1 ZINC001267559784 837770623 /nfs/dbraw/zinc/77/06/23/837770623.db2.gz CLQNXZRXZNTUOR-HNNXBMFYSA-N 1 1 348.447 0.828 20 30 ECEDMO C=CC[N@H+]1CC[C@H](CCNC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001267566712 837784860 /nfs/dbraw/zinc/78/48/60/837784860.db2.gz HTFHIEOKFKRBKX-AWEZNQCLSA-N 1 1 334.424 0.193 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](CCNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001267567136 837785871 /nfs/dbraw/zinc/78/58/71/837785871.db2.gz LPCXYUKOPQKWIZ-AWEZNQCLSA-N 1 1 344.419 0.295 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001267566800 837786346 /nfs/dbraw/zinc/78/63/46/837786346.db2.gz HMCRHABTRSWYGE-HUUCEWRRSA-N 1 1 345.447 0.227 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001267568474 837790047 /nfs/dbraw/zinc/79/00/47/837790047.db2.gz JCHVQDJQIYFIDE-OAHLLOKOSA-N 1 1 345.447 0.233 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ocnc2CC)C1 ZINC001267569882 837797518 /nfs/dbraw/zinc/79/75/18/837797518.db2.gz DTROALGEWHHEGI-KBPBESRZSA-N 1 1 346.431 0.817 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cnn(CCOC)c2C)CC1 ZINC001267572755 837811044 /nfs/dbraw/zinc/81/10/44/837811044.db2.gz WJTQPFPFHLUHKT-UHFFFAOYSA-N 1 1 347.463 0.161 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001267573582 837815350 /nfs/dbraw/zinc/81/53/50/837815350.db2.gz VADSVAXPUVDBFL-SFHVURJKSA-N 1 1 348.491 0.344 20 30 ECEDMO CC#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001267573582 837815362 /nfs/dbraw/zinc/81/53/62/837815362.db2.gz VADSVAXPUVDBFL-SFHVURJKSA-N 1 1 348.491 0.344 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC001267573725 837817275 /nfs/dbraw/zinc/81/72/75/837817275.db2.gz XVOVORNFTXJSEI-UHFFFAOYSA-N 1 1 340.431 0.589 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC001267573725 837817289 /nfs/dbraw/zinc/81/72/89/837817289.db2.gz XVOVORNFTXJSEI-UHFFFAOYSA-N 1 1 340.431 0.589 20 30 ECEDMO CCCn1cc(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cn1 ZINC001267576043 837829181 /nfs/dbraw/zinc/82/91/81/837829181.db2.gz NANLRGIPRZEVCT-AWEZNQCLSA-N 1 1 346.435 0.375 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267576667 837832384 /nfs/dbraw/zinc/83/23/84/837832384.db2.gz VNHVXTJVYFRQPW-CQSZACIVSA-N 1 1 346.431 0.840 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC001266270736 835591549 /nfs/dbraw/zinc/59/15/49/835591549.db2.gz CLBNQIBKWWNKGC-INIZCTEOSA-N 1 1 338.456 0.346 20 30 ECEDMO Cc1ncc2n1C[C@H](C(=O)NCCC[NH+]1CCN(CC#N)CC1)CC2 ZINC001266271334 835593195 /nfs/dbraw/zinc/59/31/95/835593195.db2.gz KMRWDKNUIITXQX-MRXNPFEDSA-N 1 1 344.463 0.401 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)c2cccc3nsnc32)CC1 ZINC001266275953 835600552 /nfs/dbraw/zinc/60/05/52/835600552.db2.gz SMWWZNWRQXKQGM-UHFFFAOYSA-N 1 1 344.444 0.952 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)[C@H]2CCCCN(C)C2=O)CC1 ZINC001266275943 835600586 /nfs/dbraw/zinc/60/05/86/835600586.db2.gz SDHRCCBXDQUIHC-QGZVFWFLSA-N 1 1 348.491 0.392 20 30 ECEDMO C#CCN1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001266285947 835621665 /nfs/dbraw/zinc/62/16/65/835621665.db2.gz SSIWMUQWSXWGTM-GOSISDBHSA-N 1 1 332.492 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CCN(C/C=C/Cl)CC1 ZINC001266285888 835621966 /nfs/dbraw/zinc/62/19/66/835621966.db2.gz QOMWCZRNMITMPU-NBUZRDOWSA-N 1 1 338.883 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CCN(C/C=C/Cl)CC1 ZINC001266285888 835621973 /nfs/dbraw/zinc/62/19/73/835621973.db2.gz QOMWCZRNMITMPU-NBUZRDOWSA-N 1 1 338.883 0.570 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001266313596 835680182 /nfs/dbraw/zinc/68/01/82/835680182.db2.gz MNHZVHKPZGHORS-ZDUSSCGKSA-N 1 1 349.435 0.245 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001266313596 835680187 /nfs/dbraw/zinc/68/01/87/835680187.db2.gz MNHZVHKPZGHORS-ZDUSSCGKSA-N 1 1 349.435 0.245 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)COc2cc(C)on2)C1 ZINC001266324899 835701324 /nfs/dbraw/zinc/70/13/24/835701324.db2.gz GBWIAEWSJLAZLN-QWHCGFSZSA-N 1 1 336.392 0.243 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)COc2cc(C)on2)C1 ZINC001266324899 835701330 /nfs/dbraw/zinc/70/13/30/835701330.db2.gz GBWIAEWSJLAZLN-QWHCGFSZSA-N 1 1 336.392 0.243 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC(F)F)C2)cc1 ZINC001266327598 835708303 /nfs/dbraw/zinc/70/83/03/835708303.db2.gz HWLYGYNWLKAIMG-CYBMUJFWSA-N 1 1 336.342 0.630 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC(F)F)C2)cc1 ZINC001266327598 835708304 /nfs/dbraw/zinc/70/83/04/835708304.db2.gz HWLYGYNWLKAIMG-CYBMUJFWSA-N 1 1 336.342 0.630 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NCC=C ZINC001266352396 835752670 /nfs/dbraw/zinc/75/26/70/835752670.db2.gz ZJNUEOXZVOLHNT-OAHLLOKOSA-N 1 1 327.428 0.949 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NCC=C ZINC001266352396 835752680 /nfs/dbraw/zinc/75/26/80/835752680.db2.gz ZJNUEOXZVOLHNT-OAHLLOKOSA-N 1 1 327.428 0.949 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)Oc1ccccc1 ZINC001266354798 835758075 /nfs/dbraw/zinc/75/80/75/835758075.db2.gz NRVDTXVWYXRGJH-LSDHHAIUSA-N 1 1 331.416 0.640 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Oc1ccccc1 ZINC001266354798 835758078 /nfs/dbraw/zinc/75/80/78/835758078.db2.gz NRVDTXVWYXRGJH-LSDHHAIUSA-N 1 1 331.416 0.640 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001266355282 835759670 /nfs/dbraw/zinc/75/96/70/835759670.db2.gz FCHUUWGTTNAHLG-CQSZACIVSA-N 1 1 345.447 0.977 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001266355282 835759678 /nfs/dbraw/zinc/75/96/78/835759678.db2.gz FCHUUWGTTNAHLG-CQSZACIVSA-N 1 1 345.447 0.977 20 30 ECEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)Cn1ncnn1 ZINC001266390580 835797731 /nfs/dbraw/zinc/79/77/31/835797731.db2.gz CSUBXMNMXVQJOD-UHFFFAOYSA-N 1 1 346.822 0.816 20 30 ECEDMO CC[N@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)Cn1ncnn1 ZINC001266390580 835797740 /nfs/dbraw/zinc/79/77/40/835797740.db2.gz CSUBXMNMXVQJOD-UHFFFAOYSA-N 1 1 346.822 0.816 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@H+](CC)Cc1ccc2c(c1)nnn2C ZINC001266391094 835800015 /nfs/dbraw/zinc/80/00/15/835800015.db2.gz ZCKZHNARYQLUPG-CQSZACIVSA-N 1 1 343.431 0.945 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C=C(C)C ZINC001266446170 835850363 /nfs/dbraw/zinc/85/03/63/835850363.db2.gz BQZKNYOMUWTEDU-ZIAGYGMSSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C=C(C)C ZINC001266446170 835850370 /nfs/dbraw/zinc/85/03/70/835850370.db2.gz BQZKNYOMUWTEDU-ZIAGYGMSSA-N 1 1 336.436 0.934 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001266451201 835854660 /nfs/dbraw/zinc/85/46/60/835854660.db2.gz BERANPKISXGCSG-LJIGWXMPSA-N 1 1 332.448 0.843 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)COC(C)C)C1 ZINC001266452604 835856622 /nfs/dbraw/zinc/85/66/22/835856622.db2.gz PTMXZASLGFNQJK-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001266455604 835857536 /nfs/dbraw/zinc/85/75/36/835857536.db2.gz IDWAUCUSKNRXFW-UONOGXRCSA-N 1 1 348.451 0.290 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001266460968 835863448 /nfs/dbraw/zinc/86/34/48/835863448.db2.gz GZNNYCYRMQEAJD-HIFRSBDPSA-N 1 1 346.431 0.381 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001266460968 835863455 /nfs/dbraw/zinc/86/34/55/835863455.db2.gz GZNNYCYRMQEAJD-HIFRSBDPSA-N 1 1 346.431 0.381 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001266465896 835867728 /nfs/dbraw/zinc/86/77/28/835867728.db2.gz FACFAAUYMXXRGO-HOTGVXAUSA-N 1 1 344.463 0.819 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2ccnc2C)C1 ZINC001266473147 835876093 /nfs/dbraw/zinc/87/60/93/835876093.db2.gz WTLAKZDFCLLPOU-MRXNPFEDSA-N 1 1 347.463 0.664 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1cccnc1 ZINC001266488217 835888556 /nfs/dbraw/zinc/88/85/56/835888556.db2.gz FETMHYFNAYNNAK-GOEBONIOSA-N 1 1 328.416 0.515 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1cccnc1 ZINC001266488217 835888562 /nfs/dbraw/zinc/88/85/62/835888562.db2.gz FETMHYFNAYNNAK-GOEBONIOSA-N 1 1 328.416 0.515 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)COCC3CC3)C2)C1=O ZINC001266503504 835904811 /nfs/dbraw/zinc/90/48/11/835904811.db2.gz WKOJTEDXWVSURF-CVEARBPZSA-N 1 1 335.448 0.638 20 30 ECEDMO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H](CNC(=O)C#CC2CC2)C1 ZINC001266511960 835920710 /nfs/dbraw/zinc/92/07/10/835920710.db2.gz VLESPCAGJVCWNZ-DZGCQCFKSA-N 1 1 341.415 0.655 20 30 ECEDMO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H](CNC(=O)C#CC2CC2)C1 ZINC001266511960 835920714 /nfs/dbraw/zinc/92/07/14/835920714.db2.gz VLESPCAGJVCWNZ-DZGCQCFKSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001266513948 835924495 /nfs/dbraw/zinc/92/44/95/835924495.db2.gz JDFNXTDKNMKYNA-JKSUJKDBSA-N 1 1 332.448 0.922 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001266513712 835925016 /nfs/dbraw/zinc/92/50/16/835925016.db2.gz FTVWFMIBZWPJRG-CQSZACIVSA-N 1 1 328.478 0.909 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001266513712 835925023 /nfs/dbraw/zinc/92/50/23/835925023.db2.gz FTVWFMIBZWPJRG-CQSZACIVSA-N 1 1 328.478 0.909 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC(=O)NC)C2)cc1 ZINC001266526064 835940894 /nfs/dbraw/zinc/94/08/94/835940894.db2.gz QBKAFDAYYCCYMR-CQSZACIVSA-N 1 1 342.399 0.175 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C#C)cc2)C1 ZINC001266525580 835941041 /nfs/dbraw/zinc/94/10/41/835941041.db2.gz JTKVUSZTVGMKDY-NVXWUHKLSA-N 1 1 337.423 0.858 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(C3CC3)no2)C1 ZINC001266537225 835955835 /nfs/dbraw/zinc/95/58/35/835955835.db2.gz HAZVUCHVVHVPHE-CHWSQXEVSA-N 1 1 344.415 0.742 20 30 ECEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C1 ZINC001266537842 835957637 /nfs/dbraw/zinc/95/76/37/835957637.db2.gz SZGVGZMMNIVYSF-CQSZACIVSA-N 1 1 345.509 0.918 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#C)nc2)C1 ZINC001266544500 835965734 /nfs/dbraw/zinc/96/57/34/835965734.db2.gz CBKMUVITGSJKGB-GJZGRUSLSA-N 1 1 338.411 0.253 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)COc2ccccc2)C1 ZINC001266544754 835966400 /nfs/dbraw/zinc/96/64/00/835966400.db2.gz IGTZWCMVXNQLHW-OAHLLOKOSA-N 1 1 329.400 0.253 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001266551095 835975765 /nfs/dbraw/zinc/97/57/65/835975765.db2.gz LEUJMNJISKNRDW-HZPDHXFCSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001266551095 835975776 /nfs/dbraw/zinc/97/57/76/835975776.db2.gz LEUJMNJISKNRDW-HZPDHXFCSA-N 1 1 336.480 0.601 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H]([NH2+]Cc2nonc2C)C1 ZINC001266553873 835981295 /nfs/dbraw/zinc/98/12/95/835981295.db2.gz WRGQPDGUFWQJCD-KBPBESRZSA-N 1 1 335.408 0.539 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCNC(=O)/C(C)=C/C)C1CC1 ZINC001266588319 836018332 /nfs/dbraw/zinc/01/83/32/836018332.db2.gz NBQLSPMWJIGAPT-UWUHSAQLSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CCNC(=O)/C(C)=C/C)C1CC1 ZINC001266588319 836018341 /nfs/dbraw/zinc/01/83/41/836018341.db2.gz NBQLSPMWJIGAPT-UWUHSAQLSA-N 1 1 336.436 0.934 20 30 ECEDMO C#CCCCC(=O)NCC[N@H+](C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001266590913 836021456 /nfs/dbraw/zinc/02/14/56/836021456.db2.gz SDRZQENFBRRCNV-CQSZACIVSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCCCC(=O)NCC[N@@H+](C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001266590913 836021464 /nfs/dbraw/zinc/02/14/64/836021464.db2.gz SDRZQENFBRRCNV-CQSZACIVSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cnc2[nH]ccc2c1)C1CC1 ZINC001266597023 836028670 /nfs/dbraw/zinc/02/86/70/836028670.db2.gz SGLNOJSJHOKCMD-UHFFFAOYSA-N 1 1 339.399 0.458 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cnc2[nH]ccc2c1)C1CC1 ZINC001266597023 836028682 /nfs/dbraw/zinc/02/86/82/836028682.db2.gz SGLNOJSJHOKCMD-UHFFFAOYSA-N 1 1 339.399 0.458 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cn(C)nc1CC)C1CC1 ZINC001266597011 836028846 /nfs/dbraw/zinc/02/88/46/836028846.db2.gz RSOWOCYPNCFFCC-ZDUSSCGKSA-N 1 1 345.447 0.315 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cn(C)nc1CC)C1CC1 ZINC001266597011 836028859 /nfs/dbraw/zinc/02/88/59/836028859.db2.gz RSOWOCYPNCFFCC-ZDUSSCGKSA-N 1 1 345.447 0.315 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1ccnnc1C)C1CC1 ZINC001266600022 836033689 /nfs/dbraw/zinc/03/36/89/836033689.db2.gz GNVUDZREUCNECF-ZDUSSCGKSA-N 1 1 331.420 0.670 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1ccnnc1C)C1CC1 ZINC001266600022 836033701 /nfs/dbraw/zinc/03/37/01/836033701.db2.gz GNVUDZREUCNECF-ZDUSSCGKSA-N 1 1 331.420 0.670 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cncc(CC)c1)C1CC1 ZINC001266602888 836036780 /nfs/dbraw/zinc/03/67/80/836036780.db2.gz ZBYYFMRULAHDML-UHFFFAOYSA-N 1 1 328.416 0.588 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cncc(CC)c1)C1CC1 ZINC001266602888 836036791 /nfs/dbraw/zinc/03/67/91/836036791.db2.gz ZBYYFMRULAHDML-UHFFFAOYSA-N 1 1 328.416 0.588 20 30 ECEDMO C=CCC[N@@H+](CCNC(=O)C1(n2cnnn2)CCOCC1)C1CC1 ZINC001266614098 836047357 /nfs/dbraw/zinc/04/73/57/836047357.db2.gz RRKYWEABPBIJRH-UHFFFAOYSA-N 1 1 334.424 0.336 20 30 ECEDMO C#CCC[N@H+](CCNC(=O)c1cn(C2CCOCC2)nn1)C1CC1 ZINC001266615901 836050786 /nfs/dbraw/zinc/05/07/86/836050786.db2.gz UVFZPKWMMWIIPI-UHFFFAOYSA-N 1 1 331.420 0.847 20 30 ECEDMO CC[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#CCOC)CCNC1=O ZINC001266650243 836084952 /nfs/dbraw/zinc/08/49/52/836084952.db2.gz MKLQVZPWDOYGPU-IYHXRUFHSA-N 1 1 347.459 0.664 20 30 ECEDMO Cc1ocnc1C(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266656348 836091357 /nfs/dbraw/zinc/09/13/57/836091357.db2.gz SWYSSXOBIXWZIN-UONOGXRCSA-N 1 1 345.403 0.549 20 30 ECEDMO Cc1ocnc1C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266656348 836091364 /nfs/dbraw/zinc/09/13/64/836091364.db2.gz SWYSSXOBIXWZIN-UONOGXRCSA-N 1 1 345.403 0.549 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001266725319 836203151 /nfs/dbraw/zinc/20/31/51/836203151.db2.gz CNUUDNLDYJIBAI-RWMBFGLXSA-N 1 1 331.420 0.062 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001266740579 836222033 /nfs/dbraw/zinc/22/20/33/836222033.db2.gz UTQITEXPSBVIRB-ZDUSSCGKSA-N 1 1 331.420 0.163 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCn2cccn2)C1 ZINC001266740101 836222864 /nfs/dbraw/zinc/22/28/64/836222864.db2.gz JRYZEJSAUASPQQ-HOTGVXAUSA-N 1 1 345.447 0.239 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccncc2F)C1 ZINC001266743375 836225873 /nfs/dbraw/zinc/22/58/73/836225873.db2.gz NLJZQYDLYNYFFS-KBPBESRZSA-N 1 1 346.406 0.800 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001266746602 836233099 /nfs/dbraw/zinc/23/30/99/836233099.db2.gz HJDORQDAWVGWPO-KBPBESRZSA-N 1 1 348.451 0.256 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001266746602 836233114 /nfs/dbraw/zinc/23/31/14/836233114.db2.gz HJDORQDAWVGWPO-KBPBESRZSA-N 1 1 348.451 0.256 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001266746602 836233122 /nfs/dbraw/zinc/23/31/22/836233122.db2.gz HJDORQDAWVGWPO-KBPBESRZSA-N 1 1 348.451 0.256 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001266749846 836238837 /nfs/dbraw/zinc/23/88/37/836238837.db2.gz MRCZJWGYVGZFRG-HUUCEWRRSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001266758092 836255297 /nfs/dbraw/zinc/25/52/97/836255297.db2.gz NRYHFNAKOOBIOC-MAUKXSAKSA-N 1 1 339.439 0.904 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(COC)on2)C1 ZINC001266764369 836268778 /nfs/dbraw/zinc/26/87/78/836268778.db2.gz PUMVJSKUVSHECY-ZDUSSCGKSA-N 1 1 348.403 0.012 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(COC)on2)C1 ZINC001266764369 836268791 /nfs/dbraw/zinc/26/87/91/836268791.db2.gz PUMVJSKUVSHECY-ZDUSSCGKSA-N 1 1 348.403 0.012 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001266766661 836273235 /nfs/dbraw/zinc/27/32/35/836273235.db2.gz IHIWEDDMBOFANQ-UONOGXRCSA-N 1 1 336.436 0.769 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001266853239 836385064 /nfs/dbraw/zinc/38/50/64/836385064.db2.gz INVOTVLEMRYOMH-AWEZNQCLSA-N 1 1 331.482 0.992 20 30 ECEDMO C[C@@H](NC(=O)CCC(F)F)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266890076 836438694 /nfs/dbraw/zinc/43/86/94/836438694.db2.gz ILOAVFJFXJOXSP-VXGBXAGGSA-N 1 1 330.379 0.888 20 30 ECEDMO C[C@@H](NC(=O)CCC(F)F)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266890076 836438700 /nfs/dbraw/zinc/43/87/00/836438700.db2.gz ILOAVFJFXJOXSP-VXGBXAGGSA-N 1 1 330.379 0.888 20 30 ECEDMO C[C@H](NC(=O)COCC(F)F)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266892710 836441967 /nfs/dbraw/zinc/44/19/67/836441967.db2.gz XAVFPJKGORSACP-NWDGAFQWSA-N 1 1 346.378 0.125 20 30 ECEDMO C[C@H](NC(=O)COCC(F)F)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266892710 836441969 /nfs/dbraw/zinc/44/19/69/836441969.db2.gz XAVFPJKGORSACP-NWDGAFQWSA-N 1 1 346.378 0.125 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2cc[nH]n2)C1 ZINC001266895008 836444998 /nfs/dbraw/zinc/44/49/98/836444998.db2.gz YJQUOEZHICATQV-UONOGXRCSA-N 1 1 333.436 0.471 20 30 ECEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC001266901199 836455202 /nfs/dbraw/zinc/45/52/02/836455202.db2.gz GYWFTLOUYRAHNE-RNGZQALNSA-N 1 1 336.432 0.124 20 30 ECEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC001283319777 836539333 /nfs/dbraw/zinc/53/93/33/836539333.db2.gz PASBVRAXAYXMIT-UHFFFAOYSA-N 1 1 335.452 0.861 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)C#CC(C)(C)C)CC1 ZINC001299160635 836612640 /nfs/dbraw/zinc/61/26/40/836612640.db2.gz UHPXTCUDCKGRTM-HNNXBMFYSA-N 1 1 329.444 0.899 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)C#CC(C)(C)C)CC1 ZINC001299160635 836612642 /nfs/dbraw/zinc/61/26/42/836612642.db2.gz UHPXTCUDCKGRTM-HNNXBMFYSA-N 1 1 329.444 0.899 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001267030612 836651791 /nfs/dbraw/zinc/65/17/91/836651791.db2.gz NVJHCYMAKUTAJG-AWEZNQCLSA-N 1 1 331.420 0.662 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC001267099692 836768812 /nfs/dbraw/zinc/76/88/12/836768812.db2.gz BXTLLTDVLIVWNP-CABCVRRESA-N 1 1 333.436 0.497 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CCNC(=O)C2CC2)C1 ZINC001267104678 836781326 /nfs/dbraw/zinc/78/13/26/836781326.db2.gz DUJLETKIOOVMAT-GDBMZVCRSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2nccn2CC)C1 ZINC001267106184 836785109 /nfs/dbraw/zinc/78/51/09/836785109.db2.gz PEAYDYMYLDWZSI-LSDHHAIUSA-N 1 1 345.447 0.577 20 30 ECEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001267107693 836789933 /nfs/dbraw/zinc/78/99/33/836789933.db2.gz GTICZFAWTGVFQV-OAHLLOKOSA-N 1 1 343.493 0.911 20 30 ECEDMO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001267112129 836799171 /nfs/dbraw/zinc/79/91/71/836799171.db2.gz WPMMMXFCJZRFNG-LSDHHAIUSA-N 1 1 329.448 0.866 20 30 ECEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC001267114932 836807159 /nfs/dbraw/zinc/80/71/59/836807159.db2.gz NPPXBUPFAUWGPR-AWEZNQCLSA-N 1 1 343.493 0.650 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCS(N)(=O)=O ZINC001279576571 836817781 /nfs/dbraw/zinc/81/77/81/836817781.db2.gz ORKNBQVEZJUJFA-KGLIPLIRSA-N 1 1 329.466 0.697 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001267142698 836842613 /nfs/dbraw/zinc/84/26/13/836842613.db2.gz VXUFHEKYZQMSOQ-NWDGAFQWSA-N 1 1 334.424 0.011 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN(C)S(=O)(=O)CC ZINC001279585494 836847141 /nfs/dbraw/zinc/84/71/41/836847141.db2.gz CBFVDUNXBCTHHQ-LSDHHAIUSA-N 1 1 341.477 0.357 20 30 ECEDMO C[C@H](C#N)C(=O)NCCC[C@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC001267163036 836881440 /nfs/dbraw/zinc/88/14/40/836881440.db2.gz LCBDSKGVZHFOKP-KGLIPLIRSA-N 1 1 334.420 0.656 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C(F)F)nc1 ZINC001267198974 836968333 /nfs/dbraw/zinc/96/83/33/836968333.db2.gz FJLQMWWYJWVFEL-LLVKDONJSA-N 1 1 338.358 0.819 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C(F)F)nc1 ZINC001267198974 836968338 /nfs/dbraw/zinc/96/83/38/836968338.db2.gz FJLQMWWYJWVFEL-LLVKDONJSA-N 1 1 338.358 0.819 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1ccn(CC(F)(F)F)n1 ZINC001267203032 836978193 /nfs/dbraw/zinc/97/81/93/836978193.db2.gz BPVYRFIOCDZMOD-UHFFFAOYSA-N 1 1 332.326 0.757 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cnn(CCF)c2)C1=O ZINC001267205271 836985100 /nfs/dbraw/zinc/98/51/00/836985100.db2.gz XXOYARZUHPZFTL-AWEZNQCLSA-N 1 1 337.399 0.301 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cnn(CCF)c2)C1=O ZINC001267205271 836985105 /nfs/dbraw/zinc/98/51/05/836985105.db2.gz XXOYARZUHPZFTL-AWEZNQCLSA-N 1 1 337.399 0.301 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1snnc1C(C)C ZINC001267223847 837018771 /nfs/dbraw/zinc/01/87/71/837018771.db2.gz RKODVENWSRUNPM-NSHDSACASA-N 1 1 337.449 0.461 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1snnc1C(C)C ZINC001267223847 837018775 /nfs/dbraw/zinc/01/87/75/837018775.db2.gz RKODVENWSRUNPM-NSHDSACASA-N 1 1 337.449 0.461 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC(C)C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001267241515 837049301 /nfs/dbraw/zinc/04/93/01/837049301.db2.gz ZTEYNXNPOWMGNU-IYBDPMFKSA-N 1 1 337.464 0.720 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC(C)C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001267241515 837049312 /nfs/dbraw/zinc/04/93/12/837049312.db2.gz ZTEYNXNPOWMGNU-IYBDPMFKSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC[N@H+](CC)[C@H]2CCNC2=O)cc1 ZINC001267252079 837070723 /nfs/dbraw/zinc/07/07/23/837070723.db2.gz ALMKTTXVNIQULP-INIZCTEOSA-N 1 1 329.400 0.639 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1c[nH]cc1C ZINC001267255737 837078818 /nfs/dbraw/zinc/07/88/18/837078818.db2.gz BFJVVQVULVVVDM-UHFFFAOYSA-N 1 1 335.408 0.387 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1c[nH]cc1C ZINC001267255737 837078827 /nfs/dbraw/zinc/07/88/27/837078827.db2.gz BFJVVQVULVVVDM-UHFFFAOYSA-N 1 1 335.408 0.387 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cc1nc(CC)c[nH]1 ZINC001267270671 837110289 /nfs/dbraw/zinc/11/02/89/837110289.db2.gz VNYQLGUYHOOBEK-HIFRSBDPSA-N 1 1 345.447 0.233 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1nc(CC)c[nH]1 ZINC001267270671 837110293 /nfs/dbraw/zinc/11/02/93/837110293.db2.gz VNYQLGUYHOOBEK-HIFRSBDPSA-N 1 1 345.447 0.233 20 30 ECEDMO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+]1CCCN1C(=O)CNC1=O ZINC001267273590 837114770 /nfs/dbraw/zinc/11/47/70/837114770.db2.gz XQNLTTPOLZXALZ-HNNXBMFYSA-N 1 1 348.447 0.703 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2cccnn21 ZINC001267278284 837121754 /nfs/dbraw/zinc/12/17/54/837121754.db2.gz IFAZAAMULCFMRL-CYBMUJFWSA-N 1 1 342.403 0.226 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2cccnn21 ZINC001267278284 837121761 /nfs/dbraw/zinc/12/17/61/837121761.db2.gz IFAZAAMULCFMRL-CYBMUJFWSA-N 1 1 342.403 0.226 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCCc1cccnc1 ZINC001267279872 837127981 /nfs/dbraw/zinc/12/79/81/837127981.db2.gz MSGLZDWEAQAUNY-KRWDZBQOSA-N 1 1 342.443 0.734 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCCc1cccnc1 ZINC001267279872 837127984 /nfs/dbraw/zinc/12/79/84/837127984.db2.gz MSGLZDWEAQAUNY-KRWDZBQOSA-N 1 1 342.443 0.734 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267287821 837138819 /nfs/dbraw/zinc/13/88/19/837138819.db2.gz LCVOLUBACMIHMA-CHWSQXEVSA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267289309 837140094 /nfs/dbraw/zinc/14/00/94/837140094.db2.gz YVCSYGCRZMGILH-CHWSQXEVSA-N 1 1 337.424 0.028 20 30 ECEDMO C=CCCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267289309 837140100 /nfs/dbraw/zinc/14/01/00/837140100.db2.gz YVCSYGCRZMGILH-CHWSQXEVSA-N 1 1 337.424 0.028 20 30 ECEDMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267291853 837144448 /nfs/dbraw/zinc/14/44/48/837144448.db2.gz NMPIEDJJLGQPSO-GOEBONIOSA-N 1 1 328.416 0.533 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)c2ncccc2NC(C)=O)C1 ZINC001267294366 837147556 /nfs/dbraw/zinc/14/75/56/837147556.db2.gz HBUZUFFCMUKPFB-OAHLLOKOSA-N 1 1 344.415 0.742 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)c2c(C3CC3)cnn2C)C1 ZINC001267293994 837149470 /nfs/dbraw/zinc/14/94/70/837149470.db2.gz AVHJSLHTJPIYBN-CQSZACIVSA-N 1 1 330.432 0.999 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001267297612 837155330 /nfs/dbraw/zinc/15/53/30/837155330.db2.gz DKOLWYPNUONXEC-HZPDHXFCSA-N 1 1 347.463 0.883 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267296964 837156191 /nfs/dbraw/zinc/15/61/91/837156191.db2.gz YOWZNSAYIALQPR-UONOGXRCSA-N 1 1 347.463 0.643 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001267304652 837172227 /nfs/dbraw/zinc/17/22/27/837172227.db2.gz BBWZQUJTNVEZEP-UONOGXRCSA-N 1 1 331.482 0.671 20 30 ECEDMO Cc1ccccc1CC(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267305803 837174231 /nfs/dbraw/zinc/17/42/31/837174231.db2.gz NUQJRAZGMZCETP-HNNXBMFYSA-N 1 1 328.416 0.615 20 30 ECEDMO Cc1ccccc1CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267305803 837174235 /nfs/dbraw/zinc/17/42/35/837174235.db2.gz NUQJRAZGMZCETP-HNNXBMFYSA-N 1 1 328.416 0.615 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2csc(C)n2)C1 ZINC001267306784 837177725 /nfs/dbraw/zinc/17/77/25/837177725.db2.gz XLPZIBCMGRRNJF-GXTWGEPZSA-N 1 1 348.472 0.570 20 30 ECEDMO Cc1cc(=O)oc(C)c1C(=O)NCC[N@H+](CC(=O)NCC#N)C1CC1 ZINC001267327860 837207577 /nfs/dbraw/zinc/20/75/77/837207577.db2.gz CINVUMMGWVMLRY-UHFFFAOYSA-N 1 1 346.387 0.091 20 30 ECEDMO Cc1cc(=O)oc(C)c1C(=O)NCC[N@@H+](CC(=O)NCC#N)C1CC1 ZINC001267327860 837207586 /nfs/dbraw/zinc/20/75/86/837207586.db2.gz CINVUMMGWVMLRY-UHFFFAOYSA-N 1 1 346.387 0.091 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@H]1CCc2cnn(C)c2C1)C1CC1 ZINC001267331982 837211801 /nfs/dbraw/zinc/21/18/01/837211801.db2.gz YFQKDORXKMIJPT-HNNXBMFYSA-N 1 1 344.459 0.755 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C[C@@H]1CCc2ncnn21)C1CC1 ZINC001267333427 837214803 /nfs/dbraw/zinc/21/48/03/837214803.db2.gz ZUVFYZRCSLIDBK-XHSDSOJGSA-N 1 1 345.447 0.937 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[N@H+](C2CC2)[C@H]2CCN(C)C2=O)nn1 ZINC001267333436 837214834 /nfs/dbraw/zinc/21/48/34/837214834.db2.gz AEUBFHOICKTDFO-HNNXBMFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[N@@H+](C2CC2)[C@H]2CCN(C)C2=O)nn1 ZINC001267333436 837214844 /nfs/dbraw/zinc/21/48/44/837214844.db2.gz AEUBFHOICKTDFO-HNNXBMFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1[nH]cnc1CC)C1CC1 ZINC001267337156 837222686 /nfs/dbraw/zinc/22/26/86/837222686.db2.gz JICPXSYHFZWUAC-GFCCVEGCSA-N 1 1 331.420 0.304 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1[nH]cnc1CC)C1CC1 ZINC001267337156 837222694 /nfs/dbraw/zinc/22/26/94/837222694.db2.gz JICPXSYHFZWUAC-GFCCVEGCSA-N 1 1 331.420 0.304 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[C@@H]1CCOC1)c1ccccc1 ZINC001267356749 837245101 /nfs/dbraw/zinc/24/51/01/837245101.db2.gz ICVJRXJWPFOHFU-RDJZCZTQSA-N 1 1 343.427 0.610 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001267357623 837246700 /nfs/dbraw/zinc/24/67/00/837246700.db2.gz QIHMCUMWYQJSBO-DZGCQCFKSA-N 1 1 344.415 0.820 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cccn2)C1 ZINC001267578954 837837635 /nfs/dbraw/zinc/83/76/35/837837635.db2.gz UNSGMBSMPBUDBG-OAHLLOKOSA-N 1 1 333.436 0.356 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2cn(C)nc2OC)C1 ZINC001267588575 837871882 /nfs/dbraw/zinc/87/18/82/837871882.db2.gz WNVLCQUIQDSFCG-CYBMUJFWSA-N 1 1 349.435 0.125 20 30 ECEDMO CCc1c(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C2)ccn1C ZINC001267589282 837874444 /nfs/dbraw/zinc/87/44/44/837874444.db2.gz IQQODMIDWLNDLO-CQSZACIVSA-N 1 1 345.447 0.621 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cccc2)C1 ZINC001267592113 837884868 /nfs/dbraw/zinc/88/48/68/837884868.db2.gz NZLFGBMFENXJMV-DLBZAZTESA-N 1 1 344.459 0.796 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CCS(C)(=O)=O)C2)nc1 ZINC001267593240 837888940 /nfs/dbraw/zinc/88/89/40/837888940.db2.gz GGPLNCZUAGINOQ-HNNXBMFYSA-N 1 1 349.456 0.501 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CCS(C)(=O)=O)C2)nc1 ZINC001267593240 837888947 /nfs/dbraw/zinc/88/89/47/837888947.db2.gz GGPLNCZUAGINOQ-HNNXBMFYSA-N 1 1 349.456 0.501 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001267596975 837902239 /nfs/dbraw/zinc/90/22/39/837902239.db2.gz VNCYEBBSUKCUPO-CABCVRRESA-N 1 1 345.447 0.053 20 30 ECEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001267599321 837911491 /nfs/dbraw/zinc/91/14/91/837911491.db2.gz LAQHSDBMKNMURX-MRXNPFEDSA-N 1 1 337.464 0.838 20 30 ECEDMO C#CCC[N@H+](C)CC1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC001267599559 837912335 /nfs/dbraw/zinc/91/23/35/837912335.db2.gz TXEFNZVERJKUPD-UHFFFAOYSA-N 1 1 329.466 0.072 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001267604950 837938687 /nfs/dbraw/zinc/93/86/87/837938687.db2.gz ISCNJMCPAFRPPI-GJZGRUSLSA-N 1 1 348.447 0.271 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@H](OCC)[C@H]2CCOC2)CC1 ZINC001267608757 837959516 /nfs/dbraw/zinc/95/95/16/837959516.db2.gz BXTYAVKGTHIPRM-DLBZAZTESA-N 1 1 337.464 0.137 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)CCn3ccnn3)C2)C1=O ZINC001267611713 837976435 /nfs/dbraw/zinc/97/64/35/837976435.db2.gz GSJNLMWMELPKGZ-CABCVRRESA-N 1 1 346.435 0.036 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)CCn3ccnn3)C2)C1=O ZINC001267611713 837976440 /nfs/dbraw/zinc/97/64/40/837976440.db2.gz GSJNLMWMELPKGZ-CABCVRRESA-N 1 1 346.435 0.036 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H](CC(=C)C)NC(C)=O)CC1 ZINC001267612192 837979891 /nfs/dbraw/zinc/97/98/91/837979891.db2.gz AOCGBMHTKAJHHP-QGZVFWFLSA-N 1 1 334.464 0.167 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@@H](CC(=C)C)NC(C)=O)CC1 ZINC001267612192 837979894 /nfs/dbraw/zinc/97/98/94/837979894.db2.gz AOCGBMHTKAJHHP-QGZVFWFLSA-N 1 1 334.464 0.167 20 30 ECEDMO CNC(=O)NCCC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001267614562 837990626 /nfs/dbraw/zinc/99/06/26/837990626.db2.gz NEHSKBRPDHDQHE-QGZVFWFLSA-N 1 1 342.443 0.938 20 30 ECEDMO CNC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267614562 837990628 /nfs/dbraw/zinc/99/06/28/837990628.db2.gz NEHSKBRPDHDQHE-QGZVFWFLSA-N 1 1 342.443 0.938 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001267615970 838003056 /nfs/dbraw/zinc/00/30/56/838003056.db2.gz YNIXGGRMIDTJID-HZPDHXFCSA-N 1 1 330.432 0.676 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001267615970 838003064 /nfs/dbraw/zinc/00/30/64/838003064.db2.gz YNIXGGRMIDTJID-HZPDHXFCSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCc2cncn2C)C1 ZINC001267634375 838101757 /nfs/dbraw/zinc/10/17/57/838101757.db2.gz UXLTXPOWFWEXIL-GJZGRUSLSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCc2cncn2C)C1 ZINC001267634375 838101762 /nfs/dbraw/zinc/10/17/62/838101762.db2.gz UXLTXPOWFWEXIL-GJZGRUSLSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)CSC)C1 ZINC001267638119 838112948 /nfs/dbraw/zinc/11/29/48/838112948.db2.gz JKSKEMOXYRPUFI-KGLIPLIRSA-N 1 1 325.478 0.515 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001267638705 838115293 /nfs/dbraw/zinc/11/52/93/838115293.db2.gz QMXBLUAICXIJPA-UONOGXRCSA-N 1 1 333.436 0.505 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC2CCOCC2)C1 ZINC001267639065 838118462 /nfs/dbraw/zinc/11/84/62/838118462.db2.gz XQTFNFQHJFZBJE-INIZCTEOSA-N 1 1 337.464 0.886 20 30 ECEDMO CCN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)Cn1cc[nH+]c1C ZINC001408734411 838173279 /nfs/dbraw/zinc/17/32/79/838173279.db2.gz UHIUGAZMBKVQDQ-UHFFFAOYSA-N 1 1 328.376 0.670 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H](CC)SC)C2)C1=O ZINC001267678427 838233250 /nfs/dbraw/zinc/23/32/50/838233250.db2.gz CVFAXEUXHOJGOR-KBPBESRZSA-N 1 1 325.478 0.963 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001267683057 838243617 /nfs/dbraw/zinc/24/36/17/838243617.db2.gz IYVMZLNLXHIJEL-XHSDSOJGSA-N 1 1 335.448 0.318 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCc2ccnn2C)C1 ZINC001267683473 838245415 /nfs/dbraw/zinc/24/54/15/838245415.db2.gz LZLLXIVYTPGZFD-CYBMUJFWSA-N 1 1 333.436 0.091 20 30 ECEDMO CCOc1cccc(CC(=O)NCC2C[NH+](CC#CCOC)C2)n1 ZINC001267685805 838251723 /nfs/dbraw/zinc/25/17/23/838251723.db2.gz HPEPEOYFGWIUQR-UHFFFAOYSA-N 1 1 331.416 0.721 20 30 ECEDMO COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001267690858 838261711 /nfs/dbraw/zinc/26/17/11/838261711.db2.gz RLSJKOJXOAJNNA-CQSZACIVSA-N 1 1 344.477 0.240 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001267690858 838261713 /nfs/dbraw/zinc/26/17/13/838261713.db2.gz RLSJKOJXOAJNNA-CQSZACIVSA-N 1 1 344.477 0.240 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001267697610 838287322 /nfs/dbraw/zinc/28/73/22/838287322.db2.gz NVZZWNFEWTXDDM-HNNXBMFYSA-N 1 1 331.420 0.096 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001267703052 838300915 /nfs/dbraw/zinc/30/09/15/838300915.db2.gz LHSPDVUOULGMGI-AWEZNQCLSA-N 1 1 333.436 0.045 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001267708153 838315441 /nfs/dbraw/zinc/31/54/41/838315441.db2.gz KDKZBLIGEFEIQG-AWEZNQCLSA-N 1 1 331.482 0.624 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001267714738 838346085 /nfs/dbraw/zinc/34/60/85/838346085.db2.gz OZYKMSBVOHSGJB-GOEBONIOSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@H]2OCC)CC1 ZINC001267719144 838368982 /nfs/dbraw/zinc/36/89/82/838368982.db2.gz XVBVLNBWQSHXSJ-JKSUJKDBSA-N 1 1 335.448 0.331 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001267719627 838372496 /nfs/dbraw/zinc/37/24/96/838372496.db2.gz HMBXHOAZUGESMM-NMEJBFKPSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001267719627 838372503 /nfs/dbraw/zinc/37/25/03/838372503.db2.gz HMBXHOAZUGESMM-NMEJBFKPSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCOCCCC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267721572 838376378 /nfs/dbraw/zinc/37/63/78/838376378.db2.gz XDHHWVALTNHTGP-GJZGRUSLSA-N 1 1 344.477 0.594 20 30 ECEDMO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267721572 838376382 /nfs/dbraw/zinc/37/63/82/838376382.db2.gz XDHHWVALTNHTGP-GJZGRUSLSA-N 1 1 344.477 0.594 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 ZINC001267723931 838381998 /nfs/dbraw/zinc/38/19/98/838381998.db2.gz OKDYIJGUDYQWHM-HIFRSBDPSA-N 1 1 335.404 0.791 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@H](O)C(C)C)CC1 ZINC001267724216 838383091 /nfs/dbraw/zinc/38/30/91/838383091.db2.gz BZSOCEYIXWDFOI-GDBMZVCRSA-N 1 1 337.464 0.312 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001267724737 838389071 /nfs/dbraw/zinc/38/90/71/838389071.db2.gz LTRRTJXONIXNIZ-CYBMUJFWSA-N 1 1 348.451 0.290 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001267725873 838400052 /nfs/dbraw/zinc/40/00/52/838400052.db2.gz HMFUUTAHBBSEPA-ZFWWWQNUSA-N 1 1 333.436 0.152 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001267725873 838400058 /nfs/dbraw/zinc/40/00/58/838400058.db2.gz HMFUUTAHBBSEPA-ZFWWWQNUSA-N 1 1 333.436 0.152 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001267732622 838421339 /nfs/dbraw/zinc/42/13/39/838421339.db2.gz WVTFXZQEBMJHCI-LBPRGKRZSA-N 1 1 331.376 0.442 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC001267732203 838423501 /nfs/dbraw/zinc/42/35/01/838423501.db2.gz IGRGXFKQPDOHJA-HIFRSBDPSA-N 1 1 333.436 0.959 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC001267732203 838423508 /nfs/dbraw/zinc/42/35/08/838423508.db2.gz IGRGXFKQPDOHJA-HIFRSBDPSA-N 1 1 333.436 0.959 20 30 ECEDMO C=CC[N@H+](C)CC1CCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001267733533 838425764 /nfs/dbraw/zinc/42/57/64/838425764.db2.gz SICFWUWQHGVIHT-UHFFFAOYSA-N 1 1 341.433 0.897 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC001267741836 838443280 /nfs/dbraw/zinc/44/32/80/838443280.db2.gz OVBQFGUJDFXYMG-OAHLLOKOSA-N 1 1 334.420 0.292 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC001267741836 838443283 /nfs/dbraw/zinc/44/32/83/838443283.db2.gz OVBQFGUJDFXYMG-OAHLLOKOSA-N 1 1 334.420 0.292 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CCCOC)c2)C1 ZINC001267751169 838472073 /nfs/dbraw/zinc/47/20/73/838472073.db2.gz YKOCSJKTFZOXES-MRXNPFEDSA-N 1 1 334.420 0.374 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CCCOC)c2)C1 ZINC001267751169 838472078 /nfs/dbraw/zinc/47/20/78/838472078.db2.gz YKOCSJKTFZOXES-MRXNPFEDSA-N 1 1 334.420 0.374 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001267751919 838472912 /nfs/dbraw/zinc/47/29/12/838472912.db2.gz OTSUVBSFVXUDPI-GHMZBOCLSA-N 1 1 333.354 0.903 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001267751919 838472907 /nfs/dbraw/zinc/47/29/07/838472907.db2.gz OTSUVBSFVXUDPI-GHMZBOCLSA-N 1 1 333.354 0.903 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001267761111 838487404 /nfs/dbraw/zinc/48/74/04/838487404.db2.gz BCMMPEGAVOIOQI-WCQYABFASA-N 1 1 335.408 0.144 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001267761111 838487408 /nfs/dbraw/zinc/48/74/08/838487408.db2.gz BCMMPEGAVOIOQI-WCQYABFASA-N 1 1 335.408 0.144 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001267762078 838489783 /nfs/dbraw/zinc/48/97/83/838489783.db2.gz CULAKBNAPKKOQF-HZPDHXFCSA-N 1 1 349.475 0.816 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001267762078 838489788 /nfs/dbraw/zinc/48/97/88/838489788.db2.gz CULAKBNAPKKOQF-HZPDHXFCSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3nnnn3c2)C1 ZINC001267769339 838515000 /nfs/dbraw/zinc/51/50/00/838515000.db2.gz SKXCZAIUNCNJDT-CQSZACIVSA-N 1 1 330.392 0.473 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001267770726 838519128 /nfs/dbraw/zinc/51/91/28/838519128.db2.gz QINHAIMCJWHMHP-OLZOCXBDSA-N 1 1 347.419 0.328 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001267770726 838519133 /nfs/dbraw/zinc/51/91/33/838519133.db2.gz QINHAIMCJWHMHP-OLZOCXBDSA-N 1 1 347.419 0.328 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nccn3ccnc23)C1 ZINC001267772470 838527937 /nfs/dbraw/zinc/52/79/37/838527937.db2.gz UMSHGFUSSNIZSW-CQSZACIVSA-N 1 1 327.388 0.525 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2nccn3ccnc23)C1 ZINC001267772470 838527944 /nfs/dbraw/zinc/52/79/44/838527944.db2.gz UMSHGFUSSNIZSW-CQSZACIVSA-N 1 1 327.388 0.525 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCc2cnccn2)C1 ZINC001267775652 838538252 /nfs/dbraw/zinc/53/82/52/838538252.db2.gz VCDHMBWSVHHMCZ-HOCLYGCPSA-N 1 1 343.431 0.080 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCc2cnccn2)C1 ZINC001267775652 838538256 /nfs/dbraw/zinc/53/82/56/838538256.db2.gz VCDHMBWSVHHMCZ-HOCLYGCPSA-N 1 1 343.431 0.080 20 30 ECEDMO C=CCOCC(=O)N(CC)[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267781163 838553743 /nfs/dbraw/zinc/55/37/43/838553743.db2.gz CZDMMTOMGZUPCV-CQSZACIVSA-N 1 1 337.420 0.261 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001267782904 838558400 /nfs/dbraw/zinc/55/84/00/838558400.db2.gz CBDQTOOMLNZQAB-KGLIPLIRSA-N 1 1 336.436 0.413 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001267782904 838558405 /nfs/dbraw/zinc/55/84/05/838558405.db2.gz CBDQTOOMLNZQAB-KGLIPLIRSA-N 1 1 336.436 0.413 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@](C)(C[NH2+]Cc2nnnn2C)C2CC2)nc1 ZINC001267863457 838661802 /nfs/dbraw/zinc/66/18/02/838661802.db2.gz IWPUKKGFNWJLHG-QGZVFWFLSA-N 1 1 339.403 0.275 20 30 ECEDMO CCCN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408863960 838832347 /nfs/dbraw/zinc/83/23/47/838832347.db2.gz ABRGFXGDJVDVNU-ZDUSSCGKSA-N 1 1 331.420 0.806 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncnn1C(C)C ZINC001267955122 838857383 /nfs/dbraw/zinc/85/73/83/838857383.db2.gz JOOHGYZBIKRHEK-LSDHHAIUSA-N 1 1 333.436 0.978 20 30 ECEDMO CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001408885610 838988177 /nfs/dbraw/zinc/98/81/77/838988177.db2.gz UMLKHKNPMWSGEZ-GJZGRUSLSA-N 1 1 338.452 0.610 20 30 ECEDMO CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001408885610 838988181 /nfs/dbraw/zinc/98/81/81/838988181.db2.gz UMLKHKNPMWSGEZ-GJZGRUSLSA-N 1 1 338.452 0.610 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)CCN2CCOCC2)C1 ZINC001268025765 839024878 /nfs/dbraw/zinc/02/48/78/839024878.db2.gz KOOATGZVPHRPHJ-IRXDYDNUSA-N 1 1 339.480 0.880 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)SC)CC2 ZINC001268041589 839178770 /nfs/dbraw/zinc/17/87/70/839178770.db2.gz AOIPTTYHVMEZMP-CYBMUJFWSA-N 1 1 325.478 0.965 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC2(C[NH+]([C@H](C)C(=O)NC3CC3)C2)CC1 ZINC001268043775 839195366 /nfs/dbraw/zinc/19/53/66/839195366.db2.gz OSZDKXCIDOPONU-HUUCEWRRSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000981001815 839308105 /nfs/dbraw/zinc/30/81/05/839308105.db2.gz TXAMFCRLRRXQBT-INIZCTEOSA-N 1 1 341.415 0.821 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000981001815 839308112 /nfs/dbraw/zinc/30/81/12/839308112.db2.gz TXAMFCRLRRXQBT-INIZCTEOSA-N 1 1 341.415 0.821 20 30 ECEDMO C[NH+](C)[C@H](CNC(=O)N1CC[C@H](S(N)(=O)=O)C1)c1ccco1 ZINC000331075708 282235702 /nfs/dbraw/zinc/23/57/02/282235702.db2.gz VBNCZAZKJRIFGS-WDEREUQCSA-N 1 1 330.410 0.159 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000171488950 530067025 /nfs/dbraw/zinc/06/70/25/530067025.db2.gz SLHCGXXQGXJBRV-UHFFFAOYSA-N 1 1 346.456 0.931 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)COc2ccc(C#N)cc2)CC1 ZINC000068603522 215321621 /nfs/dbraw/zinc/32/16/21/215321621.db2.gz UNHQAOXEANMUGR-UHFFFAOYSA-N 1 1 344.415 0.606 20 30 ECEDMO C[N@H+]1CC[C@@H](NC(=O)NCC(=O)NCC#N)[C@H]1c1ccc(F)cc1 ZINC000376248537 283050594 /nfs/dbraw/zinc/05/05/94/283050594.db2.gz DORDQSIYJDCZRE-UKRRQHHQSA-N 1 1 333.367 0.510 20 30 ECEDMO N#C[C@H]1C[N@H+](CC2(O)CCOCC2)C[C@@]12C(=O)Nc1ccccc12 ZINC000378261698 283068817 /nfs/dbraw/zinc/06/88/17/283068817.db2.gz UITHKVUMXRARQL-SCLBCKFNSA-N 1 1 327.384 0.873 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CC3(CO)CC3)CC2)o1 ZINC000186825156 236033964 /nfs/dbraw/zinc/03/39/64/236033964.db2.gz BQLCASREQZIZLY-UHFFFAOYSA-N 1 1 347.419 0.208 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000187622787 236262911 /nfs/dbraw/zinc/26/29/11/236262911.db2.gz WDWVHRKYHNIJIU-ZDUSSCGKSA-N 1 1 344.415 0.800 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1CC(C)(C)O ZINC000187622787 236262913 /nfs/dbraw/zinc/26/29/13/236262913.db2.gz WDWVHRKYHNIJIU-ZDUSSCGKSA-N 1 1 344.415 0.800 20 30 ECEDMO CNC(=O)NC[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000528629297 269696718 /nfs/dbraw/zinc/69/67/18/269696718.db2.gz YORZRODLLAKYRN-HNNXBMFYSA-N 1 1 345.403 0.517 20 30 ECEDMO CNC(=O)NC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000528629297 269696719 /nfs/dbraw/zinc/69/67/19/269696719.db2.gz YORZRODLLAKYRN-HNNXBMFYSA-N 1 1 345.403 0.517 20 30 ECEDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268708567 252159187 /nfs/dbraw/zinc/15/91/87/252159187.db2.gz XBATWCWWZCINPJ-GOEBONIOSA-N 1 1 337.445 0.853 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)CNc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000413921076 208377367 /nfs/dbraw/zinc/37/73/67/208377367.db2.gz NTSZDUAAZONJKK-AWEZNQCLSA-N 1 1 330.388 0.533 20 30 ECEDMO C[C@@]1(CNC(=O)NCC(=O)NCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000376496994 254755220 /nfs/dbraw/zinc/75/52/20/254755220.db2.gz DIJXDCYPJNBOBK-SFHVURJKSA-N 1 1 343.431 0.838 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000434711488 254794879 /nfs/dbraw/zinc/79/48/79/254794879.db2.gz PDUYLTIONZZUNK-INIZCTEOSA-N 1 1 336.436 0.100 20 30 ECEDMO C#CCSCCNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000378063663 254758863 /nfs/dbraw/zinc/75/88/63/254758863.db2.gz WWAKCDTYKASUPD-CABCVRRESA-N 1 1 325.478 0.984 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000490615726 254880390 /nfs/dbraw/zinc/88/03/90/254880390.db2.gz HIPIZEWMWLCUHY-KBPBESRZSA-N 1 1 347.415 0.880 20 30 ECEDMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC#CCO)CC1 ZINC000496096637 255070261 /nfs/dbraw/zinc/07/02/61/255070261.db2.gz ZXVPDBPRBCVERB-UHFFFAOYSA-N 1 1 325.409 0.041 20 30 ECEDMO N#Cc1cnn2cc(C[N@@H+]3CC[C@H](CN4CCOC4=O)C3)cnc12 ZINC000496405601 255097475 /nfs/dbraw/zinc/09/74/75/255097475.db2.gz JHAHSSQSUPOPGC-LBPRGKRZSA-N 1 1 326.360 0.875 20 30 ECEDMO N#Cc1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000419278861 209048030 /nfs/dbraw/zinc/04/80/30/209048030.db2.gz HUEJDVGUZJHOLQ-KRWDZBQOSA-N 1 1 349.394 0.743 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@H](CO)C3)CC2)o1 ZINC000190924916 165027185 /nfs/dbraw/zinc/02/71/85/165027185.db2.gz ZPRFOGOFFFBGTO-OCCSQVGLSA-N 1 1 347.419 0.064 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 ZINC000246487873 165135903 /nfs/dbraw/zinc/13/59/03/165135903.db2.gz RBHHOEJXMPMLHN-HIFRSBDPSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 ZINC000246487873 165135906 /nfs/dbraw/zinc/13/59/06/165135906.db2.gz RBHHOEJXMPMLHN-HIFRSBDPSA-N 1 1 344.419 0.106 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000248825017 165185898 /nfs/dbraw/zinc/18/58/98/165185898.db2.gz CORGXBQBCGBPNJ-KBPBESRZSA-N 1 1 344.415 0.202 20 30 ECEDMO N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000610664129 421201095 /nfs/dbraw/zinc/20/10/95/421201095.db2.gz NPPITLMMDHLKOZ-CYBMUJFWSA-N 1 1 330.392 0.336 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000269689116 263197442 /nfs/dbraw/zinc/19/74/42/263197442.db2.gz WCYCEZGQBYPOAX-ZDUSSCGKSA-N 1 1 336.417 0.176 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000269689116 263197444 /nfs/dbraw/zinc/19/74/44/263197444.db2.gz WCYCEZGQBYPOAX-ZDUSSCGKSA-N 1 1 336.417 0.176 20 30 ECEDMO N#Cc1cccc(C2([NH2+]CC(=O)NCC(=O)N3CCCC3)CC2)c1 ZINC000271812222 263330121 /nfs/dbraw/zinc/33/01/21/263330121.db2.gz QYNAOIBRLRTQAI-UHFFFAOYSA-N 1 1 326.400 0.876 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292094745 267129950 /nfs/dbraw/zinc/12/99/50/267129950.db2.gz FVGICAZBKBBFBU-RISCZKNCSA-N 1 1 343.387 0.783 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292094745 267129953 /nfs/dbraw/zinc/12/99/53/267129953.db2.gz FVGICAZBKBBFBU-RISCZKNCSA-N 1 1 343.387 0.783 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000337422290 267191331 /nfs/dbraw/zinc/19/13/31/267191331.db2.gz QJGQLWXXNWMAGC-GJZGRUSLSA-N 1 1 330.432 0.561 20 30 ECEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366427052 268099737 /nfs/dbraw/zinc/09/97/37/268099737.db2.gz HNCXXVVNPRTLRQ-RYUDHWBXSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366427052 268099740 /nfs/dbraw/zinc/09/97/40/268099740.db2.gz HNCXXVVNPRTLRQ-RYUDHWBXSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+](CCO)CCN2CCOCC2)cc1 ZINC000361953875 268137034 /nfs/dbraw/zinc/13/70/34/268137034.db2.gz VOTLMAQVUOTZCB-UHFFFAOYSA-N 1 1 346.431 0.513 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000363438941 268178621 /nfs/dbraw/zinc/17/86/21/268178621.db2.gz WYINYANBFJPJAA-JKSUJKDBSA-N 1 1 344.415 0.788 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000366498474 268178791 /nfs/dbraw/zinc/17/87/91/268178791.db2.gz ASJKKLXDOILXFG-IAGOWNOFSA-N 1 1 331.416 0.704 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000366498474 268178794 /nfs/dbraw/zinc/17/87/94/268178794.db2.gz ASJKKLXDOILXFG-IAGOWNOFSA-N 1 1 331.416 0.704 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(=O)n4nccc4[nH]3)C2)nc1 ZINC000366420305 268183607 /nfs/dbraw/zinc/18/36/07/268183607.db2.gz CRXVYSMAXOTAFG-CQSZACIVSA-N 1 1 336.355 0.943 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000365568797 268251142 /nfs/dbraw/zinc/25/11/42/268251142.db2.gz TZINGAHQSVBUHB-SFHVURJKSA-N 1 1 342.443 0.829 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000365568797 268251144 /nfs/dbraw/zinc/25/11/44/268251144.db2.gz TZINGAHQSVBUHB-SFHVURJKSA-N 1 1 342.443 0.829 20 30 ECEDMO N#Cc1cccc(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531391953 268274351 /nfs/dbraw/zinc/27/43/51/268274351.db2.gz QAIKBQVLJCHITB-INIZCTEOSA-N 1 1 328.416 0.804 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366791530 268278200 /nfs/dbraw/zinc/27/82/00/268278200.db2.gz RMJDIZTVLBLWPC-CABCVRRESA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000528383668 268300721 /nfs/dbraw/zinc/30/07/21/268300721.db2.gz OLGYQJQYDUXZDN-HZPDHXFCSA-N 1 1 344.415 0.788 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)[C@]3(CCCO3)[C@H]2C(C)C)CC1 ZINC000491340439 275382888 /nfs/dbraw/zinc/38/28/88/275382888.db2.gz XWLSKFBXWSCXMS-APWZRJJASA-N 1 1 347.459 0.821 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000092619090 276011362 /nfs/dbraw/zinc/01/13/62/276011362.db2.gz PORDEGQANLPFMV-WMZOPIPTSA-N 1 1 334.464 0.791 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)N(CCC#N)CCC#N ZINC000189418607 437597844 /nfs/dbraw/zinc/59/78/44/437597844.db2.gz XPMNWXAAJUSKNS-HNNXBMFYSA-N 1 1 335.452 0.419 20 30 ECEDMO C[NH+]=C(NCc1c(C)nn(C)c1C)NCC1(N(C)C)CCOCC1 ZINC000132572407 277752766 /nfs/dbraw/zinc/75/27/66/277752766.db2.gz ZLHTYZXSPKHWEG-UHFFFAOYSA-N 1 1 336.484 0.813 20 30 ECEDMO CC(C)[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C1=O)[NH+]1CCOCC1 ZINC000329443060 280224842 /nfs/dbraw/zinc/22/48/42/280224842.db2.gz LIZVZKKZJRLOPF-KGLIPLIRSA-N 1 1 326.441 0.420 20 30 ECEDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000337094608 281058358 /nfs/dbraw/zinc/05/83/58/281058358.db2.gz PCRUBVRHMSIVGP-KBPBESRZSA-N 1 1 330.454 0.310 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])C[C@]12c1ccccc1NC2=O ZINC000418537129 294825192 /nfs/dbraw/zinc/82/51/92/294825192.db2.gz ICRJDBUFPXMCOE-QLJPJBMISA-N 1 1 349.341 0.635 20 30 ECEDMO C[C@@](O)(CNC(=O)NCc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000073630797 436084911 /nfs/dbraw/zinc/08/49/11/436084911.db2.gz CHUMVGYBSPRMOC-QGZVFWFLSA-N 1 1 332.404 0.441 20 30 ECEDMO Cn1c(=O)c(C#N)c(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)n(C)c1=O ZINC000074772742 436139010 /nfs/dbraw/zinc/13/90/10/436139010.db2.gz GCYXQEMIZCLSTI-ZDUSSCGKSA-N 1 1 331.420 0.124 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)nc(COC)n2)CC1 ZINC000075051622 436149610 /nfs/dbraw/zinc/14/96/10/436149610.db2.gz WJLGJKJLIVPPDY-UHFFFAOYSA-N 1 1 331.420 0.193 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)nc(COC)n2)CC1 ZINC000075051622 436149612 /nfs/dbraw/zinc/14/96/12/436149612.db2.gz WJLGJKJLIVPPDY-UHFFFAOYSA-N 1 1 331.420 0.193 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000074288283 436115929 /nfs/dbraw/zinc/11/59/29/436115929.db2.gz DZHXCPDUDKPPDA-JSGCOSHPSA-N 1 1 330.454 0.041 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000074288283 436115935 /nfs/dbraw/zinc/11/59/35/436115935.db2.gz DZHXCPDUDKPPDA-JSGCOSHPSA-N 1 1 330.454 0.041 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000081012470 436333304 /nfs/dbraw/zinc/33/33/04/436333304.db2.gz VKZLCIKBIRRCCA-AWEZNQCLSA-N 1 1 329.404 0.275 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CC(N)=O)C2CCCC2)CC1 ZINC000091555897 436452444 /nfs/dbraw/zinc/45/24/44/436452444.db2.gz SPCKAUOCTMBAOI-INIZCTEOSA-N 1 1 349.479 0.409 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](CC(N)=O)C2CCCC2)CC1 ZINC000091555897 436452447 /nfs/dbraw/zinc/45/24/47/436452447.db2.gz SPCKAUOCTMBAOI-INIZCTEOSA-N 1 1 349.479 0.409 20 30 ECEDMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052800225 436516822 /nfs/dbraw/zinc/51/68/22/436516822.db2.gz HZYGHRRYDVZNKJ-CQSZACIVSA-N 1 1 344.415 0.748 20 30 ECEDMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052800225 436516827 /nfs/dbraw/zinc/51/68/27/436516827.db2.gz HZYGHRRYDVZNKJ-CQSZACIVSA-N 1 1 344.415 0.748 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000052077376 436503120 /nfs/dbraw/zinc/50/31/20/436503120.db2.gz ANWHVUJTEWZONK-OAHLLOKOSA-N 1 1 335.429 0.901 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000052216002 436504542 /nfs/dbraw/zinc/50/45/42/436504542.db2.gz CHOMASWLSCZRCN-SUMWQHHRSA-N 1 1 335.452 0.919 20 30 ECEDMO C[N@H+]1CCCC[C@H]1CN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000109753014 436625357 /nfs/dbraw/zinc/62/53/57/436625357.db2.gz RADMACCWMOEHMG-PKOBYXMFSA-N 1 1 347.507 0.897 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000109849995 436626985 /nfs/dbraw/zinc/62/69/85/436626985.db2.gz FXMXMSQLYLKBEX-CYBMUJFWSA-N 1 1 337.445 0.832 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105867065 436583198 /nfs/dbraw/zinc/58/31/98/436583198.db2.gz PLKYXFYJBUBMFX-AWEZNQCLSA-N 1 1 348.451 0.894 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105867065 436583200 /nfs/dbraw/zinc/58/32/00/436583200.db2.gz PLKYXFYJBUBMFX-AWEZNQCLSA-N 1 1 348.451 0.894 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000546187485 302245710 /nfs/dbraw/zinc/24/57/10/302245710.db2.gz GVIBWVIXYRTXKB-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000194031087 436658730 /nfs/dbraw/zinc/65/87/30/436658730.db2.gz CORGXBQBCGBPNJ-ZIAGYGMSSA-N 1 1 344.415 0.202 20 30 ECEDMO CO/N=C(/C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C)c1ccco1 ZINC000271681931 436694145 /nfs/dbraw/zinc/69/41/45/436694145.db2.gz CCAILMOSQXWYEB-OPGVCCBYSA-N 1 1 337.376 0.726 20 30 ECEDMO CO/N=C(/C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C)c1ccco1 ZINC000271681931 436694148 /nfs/dbraw/zinc/69/41/48/436694148.db2.gz CCAILMOSQXWYEB-OPGVCCBYSA-N 1 1 337.376 0.726 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(c3nccnc3C#N)CC2)CC1 ZINC000066860379 436698492 /nfs/dbraw/zinc/69/84/92/436698492.db2.gz MJCRXPCLKCIUHU-UHFFFAOYSA-N 1 1 328.420 0.729 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000269359369 436663662 /nfs/dbraw/zinc/66/36/62/436663662.db2.gz VBFSCFCRQJFSKP-LBPRGKRZSA-N 1 1 334.351 0.473 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119361482 436666882 /nfs/dbraw/zinc/66/68/82/436666882.db2.gz TUZXPDAMETXEGD-HNNXBMFYSA-N 1 1 329.408 0.646 20 30 ECEDMO C[NH+]1CCN([C@@H](C(=O)N2CCN(CC#N)CC2)c2ccccc2)CC1 ZINC000152653497 436737247 /nfs/dbraw/zinc/73/72/47/436737247.db2.gz DLHVEFUNWRHXJS-GOSISDBHSA-N 1 1 341.459 0.643 20 30 ECEDMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153273281 436752403 /nfs/dbraw/zinc/75/24/03/436752403.db2.gz PUTHHRFPMXJCMX-VXGBXAGGSA-N 1 1 334.424 0.412 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153263351 436753261 /nfs/dbraw/zinc/75/32/61/436753261.db2.gz ICBDIEDNWQHRMX-MRXNPFEDSA-N 1 1 331.424 0.782 20 30 ECEDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000125112184 436762937 /nfs/dbraw/zinc/76/29/37/436762937.db2.gz PTVKGXRVVQWEPT-CYBMUJFWSA-N 1 1 332.408 0.534 20 30 ECEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000125112184 436762939 /nfs/dbraw/zinc/76/29/39/436762939.db2.gz PTVKGXRVVQWEPT-CYBMUJFWSA-N 1 1 332.408 0.534 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000246684791 436784748 /nfs/dbraw/zinc/78/47/48/436784748.db2.gz VVEBUJIOLQFQAQ-YJBOKZPZSA-N 1 1 334.464 0.839 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155764148 436801318 /nfs/dbraw/zinc/80/13/18/436801318.db2.gz PBUOIUIYDUZVLY-ZDUSSCGKSA-N 1 1 342.403 0.921 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155764148 436801319 /nfs/dbraw/zinc/80/13/19/436801319.db2.gz PBUOIUIYDUZVLY-ZDUSSCGKSA-N 1 1 342.403 0.921 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC000131805067 436857015 /nfs/dbraw/zinc/85/70/15/436857015.db2.gz KDEQBVFVTVCBJF-QGZVFWFLSA-N 1 1 328.416 0.312 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC000131805067 436857018 /nfs/dbraw/zinc/85/70/18/436857018.db2.gz KDEQBVFVTVCBJF-QGZVFWFLSA-N 1 1 328.416 0.312 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(=O)OC)c1 ZINC000293264259 436861439 /nfs/dbraw/zinc/86/14/39/436861439.db2.gz FHFNFBRICMQEAP-UHFFFAOYSA-N 1 1 331.372 0.483 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(F)c1 ZINC000293400354 436873803 /nfs/dbraw/zinc/87/38/03/436873803.db2.gz OHRFDQKYBSORGZ-UHFFFAOYSA-N 1 1 349.362 0.622 20 30 ECEDMO C[C@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCO ZINC000249605747 436825055 /nfs/dbraw/zinc/82/50/55/436825055.db2.gz ZQICBJWVZRAKDY-YOEHRIQHSA-N 1 1 328.416 0.662 20 30 ECEDMO C[C@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1CCO ZINC000249605747 436825057 /nfs/dbraw/zinc/82/50/57/436825057.db2.gz ZQICBJWVZRAKDY-YOEHRIQHSA-N 1 1 328.416 0.662 20 30 ECEDMO C#CCSCCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000130089267 436834718 /nfs/dbraw/zinc/83/47/18/436834718.db2.gz SASPSTKSFPZRTN-CABCVRRESA-N 1 1 337.489 0.802 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccc(S(=O)(=O)NCC=C)c1 ZINC000293869794 436915133 /nfs/dbraw/zinc/91/51/33/436915133.db2.gz BRWPYKYHGCINPI-UHFFFAOYSA-N 1 1 349.456 0.836 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc2c[nH]nc2cc1C ZINC000293445669 436878311 /nfs/dbraw/zinc/87/83/11/436878311.db2.gz SCRJQDMGELWDTH-UHFFFAOYSA-N 1 1 327.388 0.881 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000293445669 436878313 /nfs/dbraw/zinc/87/83/13/436878313.db2.gz SCRJQDMGELWDTH-UHFFFAOYSA-N 1 1 327.388 0.881 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000293445669 436878316 /nfs/dbraw/zinc/87/83/16/436878316.db2.gz SCRJQDMGELWDTH-UHFFFAOYSA-N 1 1 327.388 0.881 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000293479910 436881936 /nfs/dbraw/zinc/88/19/36/436881936.db2.gz VMKOZBTXFBAQDX-UHFFFAOYSA-N 1 1 327.388 0.583 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1COC2=O ZINC000293499008 436882851 /nfs/dbraw/zinc/88/28/51/436882851.db2.gz XAABPQGLOSYRCN-UHFFFAOYSA-N 1 1 329.356 0.367 20 30 ECEDMO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000161429888 436890473 /nfs/dbraw/zinc/89/04/73/436890473.db2.gz WIWRQGHDRCNWEU-CYBMUJFWSA-N 1 1 333.360 0.427 20 30 ECEDMO N#CCOc1cccc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000280578425 436905887 /nfs/dbraw/zinc/90/58/87/436905887.db2.gz YHYAVGUPHWTKFD-UHFFFAOYSA-N 1 1 328.372 0.906 20 30 ECEDMO N#CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000280578425 436905891 /nfs/dbraw/zinc/90/58/91/436905891.db2.gz YHYAVGUPHWTKFD-UHFFFAOYSA-N 1 1 328.372 0.906 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H](O)C2)c(OC)c1 ZINC000295080658 436961927 /nfs/dbraw/zinc/96/19/27/436961927.db2.gz BAWHZTQAWRBDMV-JKSUJKDBSA-N 1 1 337.416 0.857 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000294067710 436932399 /nfs/dbraw/zinc/93/23/99/436932399.db2.gz KJLPDKPGPYVOID-UHFFFAOYSA-N 1 1 335.429 0.092 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000294067710 436932402 /nfs/dbraw/zinc/93/24/02/436932402.db2.gz KJLPDKPGPYVOID-UHFFFAOYSA-N 1 1 335.429 0.092 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000294064311 436932426 /nfs/dbraw/zinc/93/24/26/436932426.db2.gz VGWBMVOFAWDDJS-LSDHHAIUSA-N 1 1 330.388 0.029 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC[C@@H]21 ZINC000294080201 436932841 /nfs/dbraw/zinc/93/28/41/436932841.db2.gz LSJHHKZHKVVPSY-KGLIPLIRSA-N 1 1 327.388 0.834 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c(F)c1 ZINC000263767444 436986669 /nfs/dbraw/zinc/98/66/69/436986669.db2.gz LIRXHDBXPSZIHQ-LBPRGKRZSA-N 1 1 326.397 0.702 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c(F)c1 ZINC000263767444 436986672 /nfs/dbraw/zinc/98/66/72/436986672.db2.gz LIRXHDBXPSZIHQ-LBPRGKRZSA-N 1 1 326.397 0.702 20 30 ECEDMO CC(=O)Nc1ccc(S(=O)(=O)CCCO[NH+]=C(N)CCO)cc1 ZINC000275582389 436987435 /nfs/dbraw/zinc/98/74/35/436987435.db2.gz ZHUOYWVNDCTBBH-UHFFFAOYSA-N 1 1 343.405 0.480 20 30 ECEDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000275637542 436994207 /nfs/dbraw/zinc/99/42/07/436994207.db2.gz KBGPVRXUBMHNOF-CYBMUJFWSA-N 1 1 327.381 0.696 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000275637542 436994209 /nfs/dbraw/zinc/99/42/09/436994209.db2.gz KBGPVRXUBMHNOF-CYBMUJFWSA-N 1 1 327.381 0.696 20 30 ECEDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000275642899 436995434 /nfs/dbraw/zinc/99/54/34/436995434.db2.gz KOIAQQCOLNWIOC-LBPRGKRZSA-N 1 1 327.381 0.696 20 30 ECEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000275642899 436995436 /nfs/dbraw/zinc/99/54/36/436995436.db2.gz KOIAQQCOLNWIOC-LBPRGKRZSA-N 1 1 327.381 0.696 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000296786100 436997972 /nfs/dbraw/zinc/99/79/72/436997972.db2.gz HFUYHOUINYIXNY-UHFFFAOYSA-N 1 1 334.342 0.705 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000296948752 436998861 /nfs/dbraw/zinc/99/88/61/436998861.db2.gz QATZOBCOWHQEHV-UHFFFAOYSA-N 1 1 346.435 0.272 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000296896580 436999076 /nfs/dbraw/zinc/99/90/76/436999076.db2.gz MQUHGHJZKICZRX-CVEARBPZSA-N 1 1 347.463 0.830 20 30 ECEDMO C#CCCCNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000173328623 437044719 /nfs/dbraw/zinc/04/47/19/437044719.db2.gz BKMRYLNELLHINT-UHFFFAOYSA-N 1 1 334.464 0.986 20 30 ECEDMO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000285241327 437077800 /nfs/dbraw/zinc/07/78/00/437077800.db2.gz BTIBNJGODRLDHH-JKSUJKDBSA-N 1 1 337.445 0.947 20 30 ECEDMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000285241327 437077801 /nfs/dbraw/zinc/07/78/01/437077801.db2.gz BTIBNJGODRLDHH-JKSUJKDBSA-N 1 1 337.445 0.947 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264759462 437078265 /nfs/dbraw/zinc/07/82/65/437078265.db2.gz BUJWLDSTMQLEDF-CQSZACIVSA-N 1 1 329.404 0.167 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(C)CC2)c1C#N ZINC000174598514 437083290 /nfs/dbraw/zinc/08/32/90/437083290.db2.gz ZAVIJMVLMDQKHK-UHFFFAOYSA-N 1 1 343.431 0.559 20 30 ECEDMO N#CCCCCS(=O)(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000360698933 303149881 /nfs/dbraw/zinc/14/98/81/303149881.db2.gz MOIQNLHNBCRCMO-CABCVRRESA-N 1 1 329.466 0.931 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000174867608 437090338 /nfs/dbraw/zinc/09/03/38/437090338.db2.gz NXRSAOAIQSZBCW-QZTJIDSGSA-N 1 1 342.443 0.944 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000174867608 437090340 /nfs/dbraw/zinc/09/03/40/437090340.db2.gz NXRSAOAIQSZBCW-QZTJIDSGSA-N 1 1 342.443 0.944 20 30 ECEDMO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000264867986 437098048 /nfs/dbraw/zinc/09/80/48/437098048.db2.gz RSMSZPBUGUJCQB-OAHLLOKOSA-N 1 1 346.431 0.552 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000286630888 437112190 /nfs/dbraw/zinc/11/21/90/437112190.db2.gz ZRBLKDLJGBHWEV-ZIAGYGMSSA-N 1 1 325.478 0.965 20 30 ECEDMO C[N@@H+](CCNC(=O)NCCn1cnc(C#N)n1)Cc1ccccc1 ZINC000287016837 437152970 /nfs/dbraw/zinc/15/29/70/437152970.db2.gz UUNNZRWQHZWRAR-UHFFFAOYSA-N 1 1 327.392 0.581 20 30 ECEDMO C[C@](C#N)(NC(=O)CN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000304713435 437158657 /nfs/dbraw/zinc/15/86/57/437158657.db2.gz MOLUJZHMHCDFMR-JFIYKMOQSA-N 1 1 334.464 0.716 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000305071158 437160875 /nfs/dbraw/zinc/16/08/75/437160875.db2.gz TVBQGVFZDMMEQC-DLBZAZTESA-N 1 1 345.443 0.945 20 30 ECEDMO CN(C)C(=O)CN1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000305091254 437161055 /nfs/dbraw/zinc/16/10/55/437161055.db2.gz XJUNXGMHQWKCLM-KRWDZBQOSA-N 1 1 330.432 0.688 20 30 ECEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000265385140 437118364 /nfs/dbraw/zinc/11/83/64/437118364.db2.gz ADZDKUXUVIKLCX-VLUKHXRESA-N 1 1 334.420 0.894 20 30 ECEDMO N#Cc1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000265384886 437119464 /nfs/dbraw/zinc/11/94/64/437119464.db2.gz SBVFQPRIJUCYSL-CVEARBPZSA-N 1 1 335.429 0.146 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C[NH+]1CCOCC1 ZINC000175994606 437128145 /nfs/dbraw/zinc/12/81/45/437128145.db2.gz AGVXMHKQKNPUAB-LBPRGKRZSA-N 1 1 348.378 0.720 20 30 ECEDMO C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000286795369 437131721 /nfs/dbraw/zinc/13/17/21/437131721.db2.gz AANCTXFNPZZXOT-QGZVFWFLSA-N 1 1 344.459 0.563 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000332444225 437222592 /nfs/dbraw/zinc/22/25/92/437222592.db2.gz XQRNTLFSMUFTFV-MBGYTDRXSA-N 1 1 347.463 0.871 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000332444225 437222595 /nfs/dbraw/zinc/22/25/95/437222595.db2.gz XQRNTLFSMUFTFV-MBGYTDRXSA-N 1 1 347.463 0.871 20 30 ECEDMO C[C@@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)NC1CC1 ZINC000266600922 437225954 /nfs/dbraw/zinc/22/59/54/437225954.db2.gz DNASSEKHKRQWMV-GFCCVEGCSA-N 1 1 346.431 0.952 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)C[C@H]3CCOC3)CC2)o1 ZINC000178779410 437229279 /nfs/dbraw/zinc/22/92/79/437229279.db2.gz BUXBJPRFJVOXSY-CQSZACIVSA-N 1 1 347.419 0.472 20 30 ECEDMO COC(=O)CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CCCO1 ZINC000325380236 437229576 /nfs/dbraw/zinc/22/95/76/437229576.db2.gz NEIIRPVQMLERKE-RHSMWYFYSA-N 1 1 337.420 0.839 20 30 ECEDMO COC(=O)CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CCCO1 ZINC000325380236 437229582 /nfs/dbraw/zinc/22/95/82/437229582.db2.gz NEIIRPVQMLERKE-RHSMWYFYSA-N 1 1 337.420 0.839 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1=O ZINC000277852041 437259680 /nfs/dbraw/zinc/25/96/80/437259680.db2.gz JLKFZIXCXZFMKK-CYBMUJFWSA-N 1 1 348.403 0.096 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1=O ZINC000277852042 437260303 /nfs/dbraw/zinc/26/03/03/437260303.db2.gz JLKFZIXCXZFMKK-ZDUSSCGKSA-N 1 1 348.403 0.096 20 30 ECEDMO CC(C)(C(N)=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000266875745 437260620 /nfs/dbraw/zinc/26/06/20/437260620.db2.gz SZSLKNFXQGFKTE-UHFFFAOYSA-N 1 1 343.431 0.768 20 30 ECEDMO CC(=O)N1CCN(CCNC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000328797453 437264863 /nfs/dbraw/zinc/26/48/63/437264863.db2.gz FDDXBDLISZPVJX-AWEZNQCLSA-N 1 1 328.482 0.544 20 30 ECEDMO C=CCNC(=O)CNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000181211411 437313276 /nfs/dbraw/zinc/31/32/76/437313276.db2.gz JLWDMCLVZRUWHU-BETUJISGSA-N 1 1 326.441 0.476 20 30 ECEDMO C=CCNC(=O)CNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000181211411 437313278 /nfs/dbraw/zinc/31/32/78/437313278.db2.gz JLWDMCLVZRUWHU-BETUJISGSA-N 1 1 326.441 0.476 20 30 ECEDMO CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]3OCCN(C)[C@H]3C1)CC2 ZINC000329087351 437314991 /nfs/dbraw/zinc/31/49/91/437314991.db2.gz VBNCUSCDVSDVER-RDBSUJKOSA-N 1 1 348.451 0.474 20 30 ECEDMO C[C@H]([C@H](C)NC(=O)CCN1CCCS1(=O)=O)[NH+]1CCOCC1 ZINC000329080951 437315103 /nfs/dbraw/zinc/31/51/03/437315103.db2.gz CWJHQTWRLUGJIR-QWHCGFSZSA-N 1 1 333.454 0.478 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000336947337 437316914 /nfs/dbraw/zinc/31/69/14/437316914.db2.gz PDCIETUYLWKVRF-VXGBXAGGSA-N 1 1 325.394 0.058 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000336944839 437317261 /nfs/dbraw/zinc/31/72/61/437317261.db2.gz MTGMFUAZIPGWJR-GXTWGEPZSA-N 1 1 330.454 0.166 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C1=O ZINC000337204622 437340653 /nfs/dbraw/zinc/34/06/53/437340653.db2.gz IAYNTJHHUMUCIR-KBPBESRZSA-N 1 1 329.466 0.377 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)C2=O)C[C@@H](C)O1 ZINC000329501089 437376665 /nfs/dbraw/zinc/37/66/65/437376665.db2.gz YNSVQPCHHKNZMU-MGPQQGTHSA-N 1 1 340.468 0.951 20 30 ECEDMO C#CCNC(=O)c1ccc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000278893888 437354982 /nfs/dbraw/zinc/35/49/82/437354982.db2.gz QCJPUJGONYWEPF-GASCZTMLSA-N 1 1 330.432 0.990 20 30 ECEDMO C#CCNC(=O)c1ccc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000278893888 437354986 /nfs/dbraw/zinc/35/49/86/437354986.db2.gz QCJPUJGONYWEPF-GASCZTMLSA-N 1 1 330.432 0.990 20 30 ECEDMO CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]C[C@H]1C[N@@H+](C)CCN1C)CC2 ZINC000329352068 437355706 /nfs/dbraw/zinc/35/57/06/437355706.db2.gz ULHGAKSFANKAAA-KGLIPLIRSA-N 1 1 349.483 0.466 20 30 ECEDMO O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329381829 437359093 /nfs/dbraw/zinc/35/90/93/437359093.db2.gz OCRMWJGTVKDWDX-SOUVJXGZSA-N 1 1 334.424 0.550 20 30 ECEDMO Cn1nc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(=O)c2ccccc21 ZINC000329445450 437369538 /nfs/dbraw/zinc/36/95/38/437369538.db2.gz LSPIXGCGGZMIOA-LBPRGKRZSA-N 1 1 329.404 0.484 20 30 ECEDMO Cn1nc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(=O)c2ccccc21 ZINC000329445450 437369539 /nfs/dbraw/zinc/36/95/39/437369539.db2.gz LSPIXGCGGZMIOA-LBPRGKRZSA-N 1 1 329.404 0.484 20 30 ECEDMO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H](C)S1(=O)=O ZINC000329506560 437376005 /nfs/dbraw/zinc/37/60/05/437376005.db2.gz ANZJAHCQPVOFKC-IJLUTSLNSA-N 1 1 326.422 0.619 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337026068 437323559 /nfs/dbraw/zinc/32/35/59/437323559.db2.gz BCWBUKDXXGSEGV-HUUCEWRRSA-N 1 1 344.481 0.367 20 30 ECEDMO CC(C)[C@@H]1C[C@@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000329161639 437328006 /nfs/dbraw/zinc/32/80/06/437328006.db2.gz ZCOMPNVXHDMVBO-GJZGRUSLSA-N 1 1 340.468 0.858 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000337079512 437328654 /nfs/dbraw/zinc/32/86/54/437328654.db2.gz WJYMAYZSBDBTDY-ZDUSSCGKSA-N 1 1 332.470 0.101 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000337090557 437329648 /nfs/dbraw/zinc/32/96/48/437329648.db2.gz JVUNTKDHXPWZCN-KBPBESRZSA-N 1 1 332.470 0.413 20 30 ECEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267643455 437329961 /nfs/dbraw/zinc/32/99/61/437329961.db2.gz WCOLLJDGFYNIFA-IAGOWNOFSA-N 1 1 347.415 0.397 20 30 ECEDMO C[N@@H+]1CC=C(CNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000329213854 437335744 /nfs/dbraw/zinc/33/57/44/437335744.db2.gz KDCFGLOJMGADTP-ZDUSSCGKSA-N 1 1 330.454 0.033 20 30 ECEDMO C[C@@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329711725 437403442 /nfs/dbraw/zinc/40/34/42/437403442.db2.gz OXIDWTGFGCOASY-CYBMUJFWSA-N 1 1 344.481 0.171 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)CSc2nncs2)CC1 ZINC000329706129 437404520 /nfs/dbraw/zinc/40/45/20/437404520.db2.gz KTHABEGKOMWKSJ-UHFFFAOYSA-N 1 1 329.451 0.751 20 30 ECEDMO C[C@H](CNC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000329802927 437414204 /nfs/dbraw/zinc/41/42/04/437414204.db2.gz KTJHYQITWNNNQR-YGZBKVGRSA-N 1 1 344.525 0.625 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCOC[C@@H]2C[C@@H](C)O)C1 ZINC000329793353 437414226 /nfs/dbraw/zinc/41/42/26/437414226.db2.gz AZLZIKGTNXTKHG-OWCLPIDISA-N 1 1 343.468 0.729 20 30 ECEDMO CNC(=O)N[C@@H]1CC[N@@H+](CCc2c(C)nc3ccccn3c2=O)C1 ZINC000329796254 437414460 /nfs/dbraw/zinc/41/44/60/437414460.db2.gz WUTYEKUEITVKHW-CYBMUJFWSA-N 1 1 329.404 0.753 20 30 ECEDMO CS(=O)(=O)[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329892980 437427598 /nfs/dbraw/zinc/42/75/98/437427598.db2.gz AQBBZQMZOKQEDM-CHWSQXEVSA-N 1 1 340.449 0.869 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000337766106 437378986 /nfs/dbraw/zinc/37/89/86/437378986.db2.gz MSSPLMPJAVBILQ-ZIAGYGMSSA-N 1 1 344.481 0.650 20 30 ECEDMO C[C@H](C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)[NH+]1CCSCC1 ZINC000329522451 437380073 /nfs/dbraw/zinc/38/00/73/437380073.db2.gz PLHLAVPHDOBKDH-YPMHNXCESA-N 1 1 326.466 0.691 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000268213156 437383253 /nfs/dbraw/zinc/38/32/53/437383253.db2.gz OZXJRHJWMGPMIW-MLGOLLRUSA-N 1 1 326.400 0.887 20 30 ECEDMO CC(C)N1CCN(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1=O ZINC000329657846 437397457 /nfs/dbraw/zinc/39/74/57/437397457.db2.gz NJARIEPNXFNNPH-OAHLLOKOSA-N 1 1 339.484 0.479 20 30 ECEDMO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000338295984 437402482 /nfs/dbraw/zinc/40/24/82/437402482.db2.gz KTZXEXBGUTXWQQ-CQSZACIVSA-N 1 1 349.460 0.357 20 30 ECEDMO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3ncnn3C2)C[C@H]1[NH+]1CCOCC1 ZINC000330225108 437470981 /nfs/dbraw/zinc/47/09/81/437470981.db2.gz NZXQCBPXBLJUFW-RBSFLKMASA-N 1 1 348.451 0.550 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC[N@H+]1C ZINC000330260900 437475665 /nfs/dbraw/zinc/47/56/65/437475665.db2.gz TUGITVAPCMRMMK-OLZOCXBDSA-N 1 1 334.424 0.465 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000330258823 437476015 /nfs/dbraw/zinc/47/60/15/437476015.db2.gz MTRCSTWYGGCQNI-OAHLLOKOSA-N 1 1 329.408 0.839 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCCCO2)CC1 ZINC000329934659 437434342 /nfs/dbraw/zinc/43/43/42/437434342.db2.gz QPRPZBOBFCYDBH-CQSZACIVSA-N 1 1 326.441 0.565 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000339015736 437434370 /nfs/dbraw/zinc/43/43/70/437434370.db2.gz BVFSXLRGSXZMMA-KKUMJFAQSA-N 1 1 344.481 0.508 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000329945527 437436375 /nfs/dbraw/zinc/43/63/75/437436375.db2.gz JCPDYDADTSQVLS-OCCSQVGLSA-N 1 1 344.481 0.003 20 30 ECEDMO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000330002082 437444834 /nfs/dbraw/zinc/44/48/34/437444834.db2.gz YNKMMCXFIFHGLH-CQSZACIVSA-N 1 1 347.481 0.727 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCn2cnnc2[C@@H]1C)N1CC[NH+](C)CC1 ZINC000330069312 437450561 /nfs/dbraw/zinc/45/05/61/437450561.db2.gz WEBYPRSNEMKCGG-GJZGRUSLSA-N 1 1 349.483 0.841 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000290038144 437458169 /nfs/dbraw/zinc/45/81/69/437458169.db2.gz DIGKRPKEFBVJHY-UHFFFAOYSA-N 1 1 333.367 0.983 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)C1 ZINC000330129471 437458741 /nfs/dbraw/zinc/45/87/41/437458741.db2.gz OITCZQZRSQBAAD-YQQAZPJKSA-N 1 1 341.452 0.891 20 30 ECEDMO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000330183075 437464995 /nfs/dbraw/zinc/46/49/95/437464995.db2.gz PNLDHKMIVYFUMH-HRCADAONSA-N 1 1 341.452 0.891 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N1CCOC2(CCOCC2)C1 ZINC000330186026 437465612 /nfs/dbraw/zinc/46/56/12/437465612.db2.gz RSQLHEAZJQEGGL-UHFFFAOYSA-N 1 1 329.466 0.831 20 30 ECEDMO C[C@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCN1S(C)(=O)=O ZINC000330189361 437466706 /nfs/dbraw/zinc/46/67/06/437466706.db2.gz LSLHVDQUVYGHFA-NWDGAFQWSA-N 1 1 341.437 0.078 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)C1=O ZINC000330384419 437498464 /nfs/dbraw/zinc/49/84/64/437498464.db2.gz KLVGUGXAUKARSY-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(C#N)CC2)C1 ZINC000339724400 437501718 /nfs/dbraw/zinc/50/17/18/437501718.db2.gz VWCVNYMOIRMTOR-HNNXBMFYSA-N 1 1 336.436 0.222 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCCC#N ZINC000343149407 437518220 /nfs/dbraw/zinc/51/82/20/437518220.db2.gz OBWLCGKKQWBWCT-CQSZACIVSA-N 1 1 336.436 0.508 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000330521473 437537165 /nfs/dbraw/zinc/53/71/65/437537165.db2.gz RHWFKWNLRHQZBN-IHRRRGAJSA-N 1 1 332.470 0.364 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188324506 437543883 /nfs/dbraw/zinc/54/38/83/437543883.db2.gz GRHLMEZYELHPEC-VQIMIIECSA-N 1 1 329.444 0.693 20 30 ECEDMO CC[C@@H]1CN(C(=O)Nc2cc(COC)ncn2)CC[N@H+]1C[C@H](C)O ZINC000330638476 437574316 /nfs/dbraw/zinc/57/43/16/437574316.db2.gz CTPXKYSBEYDOIE-GXTWGEPZSA-N 1 1 337.424 0.946 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCCCO2)CC1 ZINC000330675991 437587482 /nfs/dbraw/zinc/58/74/82/437587482.db2.gz HZSVGFPDGAXQBR-CQSZACIVSA-N 1 1 326.441 0.612 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000360704788 437632811 /nfs/dbraw/zinc/63/28/11/437632811.db2.gz TVYYODWETXUREK-GRDNDAEWSA-N 1 1 337.420 0.837 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000360704788 437632815 /nfs/dbraw/zinc/63/28/15/437632815.db2.gz TVYYODWETXUREK-GRDNDAEWSA-N 1 1 337.420 0.837 20 30 ECEDMO N#CCCCCS(=O)(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000360698934 437633186 /nfs/dbraw/zinc/63/31/86/437633186.db2.gz MOIQNLHNBCRCMO-GJZGRUSLSA-N 1 1 329.466 0.931 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000354654757 437644963 /nfs/dbraw/zinc/64/49/63/437644963.db2.gz DKFGXUGQZDHVTD-UHFFFAOYSA-N 1 1 346.435 0.363 20 30 ECEDMO C#CCNC(=O)C1CC[NH+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000361144198 437655984 /nfs/dbraw/zinc/65/59/84/437655984.db2.gz MWUJAYFZILWQIV-INIZCTEOSA-N 1 1 343.431 0.377 20 30 ECEDMO CN(C)C(=O)Cn1cc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)nn1 ZINC000330981554 437664620 /nfs/dbraw/zinc/66/46/20/437664620.db2.gz PPCZJWOHBIINCP-UHFFFAOYSA-N 1 1 336.440 0.793 20 30 ECEDMO CC(C)(C#N)CCC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000330992134 437666051 /nfs/dbraw/zinc/66/60/51/437666051.db2.gz SKUPBBNUIKISSZ-UHFFFAOYSA-N 1 1 336.436 0.319 20 30 ECEDMO C[C@H](CNC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)C[NH+]1CCOCC1 ZINC000331125795 437693425 /nfs/dbraw/zinc/69/34/25/437693425.db2.gz HQRKWKRCEDSUGG-ZIAGYGMSSA-N 1 1 347.481 0.235 20 30 ECEDMO CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@H](NC(=O)NC)C2)CC1 ZINC000331165372 437704691 /nfs/dbraw/zinc/70/46/91/437704691.db2.gz GQLCDQQWFMIOHI-UYJPIKCFSA-N 1 1 327.425 0.679 20 30 ECEDMO C=CCCCCC[NH+]1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000193306833 437706191 /nfs/dbraw/zinc/70/61/91/437706191.db2.gz ROXGLUBKJDPONO-UHFFFAOYSA-N 1 1 344.525 0.843 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000331225372 437722069 /nfs/dbraw/zinc/72/20/69/437722069.db2.gz CBEJUHPLAIOUEP-QZTJIDSGSA-N 1 1 349.523 0.951 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCN(C)C[C@@H]2C(C)C)CC1 ZINC000331225372 437722071 /nfs/dbraw/zinc/72/20/71/437722071.db2.gz CBEJUHPLAIOUEP-QZTJIDSGSA-N 1 1 349.523 0.951 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCN(C)C[C@@H]2C(C)C)CC1 ZINC000331225372 437722072 /nfs/dbraw/zinc/72/20/72/437722072.db2.gz CBEJUHPLAIOUEP-QZTJIDSGSA-N 1 1 349.523 0.951 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)C2CCC(CO)CC2)CC1 ZINC000331237293 437724487 /nfs/dbraw/zinc/72/44/87/437724487.db2.gz UVQOAXDWUYAJGZ-UHFFFAOYSA-N 1 1 340.468 0.594 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 ZINC000331281552 437731691 /nfs/dbraw/zinc/73/16/91/437731691.db2.gz UWXWWSIBVPPMHW-CMPLNLGQSA-N 1 1 343.424 0.450 20 30 ECEDMO C=CCOCCCC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000363277349 437778660 /nfs/dbraw/zinc/77/86/60/437778660.db2.gz YHTWYLJCFMNDPW-MRXNPFEDSA-N 1 1 337.464 0.982 20 30 ECEDMO N#Cc1ccc(NCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000341046129 437784062 /nfs/dbraw/zinc/78/40/62/437784062.db2.gz AMIXRYWRRORETE-HNNXBMFYSA-N 1 1 329.404 0.426 20 30 ECEDMO C[C@@H]1C[N@H+](CCCNC(=O)CNc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000345557062 437791918 /nfs/dbraw/zinc/79/19/18/437791918.db2.gz NYWVZRVUUCBNSR-OKILXGFUSA-N 1 1 331.420 0.981 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000416305805 437914600 /nfs/dbraw/zinc/91/46/00/437914600.db2.gz JGDDMHFIIOCKGO-UONOGXRCSA-N 1 1 344.415 0.202 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000342029794 437947541 /nfs/dbraw/zinc/94/75/41/437947541.db2.gz XBIDIFSAKOXTMN-LSDHHAIUSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000342000472 437937331 /nfs/dbraw/zinc/93/73/31/437937331.db2.gz WRTHNXFNICTWQB-INIZCTEOSA-N 1 1 330.432 0.857 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425318815 438022166 /nfs/dbraw/zinc/02/21/66/438022166.db2.gz PMHLLFXHZVXWAC-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)nn1 ZINC000425475814 438025926 /nfs/dbraw/zinc/02/59/26/438025926.db2.gz MFGFJDYBVZKHFL-HNNXBMFYSA-N 1 1 349.483 0.537 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000342591509 438034755 /nfs/dbraw/zinc/03/47/55/438034755.db2.gz SRONWPGDZOPGEX-KDOFPFPSSA-N 1 1 346.406 0.706 20 30 ECEDMO COC(=O)CNC(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372529038 438096309 /nfs/dbraw/zinc/09/63/09/438096309.db2.gz MGUDOTOYCFLQMS-UHFFFAOYSA-N 1 1 330.388 0.360 20 30 ECEDMO COC(=O)CNC(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372529038 438096313 /nfs/dbraw/zinc/09/63/13/438096313.db2.gz MGUDOTOYCFLQMS-UHFFFAOYSA-N 1 1 330.388 0.360 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000430377083 438110945 /nfs/dbraw/zinc/11/09/45/438110945.db2.gz NRPWGYJUNLRGCB-FPCVCCKLSA-N 1 1 335.448 0.636 20 30 ECEDMO N#CCNC(=O)CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000348945801 438118543 /nfs/dbraw/zinc/11/85/43/438118543.db2.gz DFQLPDVPVXSSIG-UHFFFAOYSA-N 1 1 347.444 0.997 20 30 ECEDMO C=CCCOCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000366754445 438121154 /nfs/dbraw/zinc/12/11/54/438121154.db2.gz FOMWPRCQXAFOCG-MRXNPFEDSA-N 1 1 340.468 0.285 20 30 ECEDMO N#CCC1(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000366829608 438132913 /nfs/dbraw/zinc/13/29/13/438132913.db2.gz JGNGHJMPFCPREQ-HNNXBMFYSA-N 1 1 335.452 0.386 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)C1=O ZINC000366849735 438137860 /nfs/dbraw/zinc/13/78/60/438137860.db2.gz JBMLSWZRZJNDPX-OAHLLOKOSA-N 1 1 343.431 0.480 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(c3ncccc3C(N)=O)CC2)C1=O ZINC000366849735 438137864 /nfs/dbraw/zinc/13/78/64/438137864.db2.gz JBMLSWZRZJNDPX-OAHLLOKOSA-N 1 1 343.431 0.480 20 30 ECEDMO CN1C[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CCN2C1=O ZINC000373243946 438139888 /nfs/dbraw/zinc/13/98/88/438139888.db2.gz JUBSJTHFWXWFMY-HNNXBMFYSA-N 1 1 327.388 0.938 20 30 ECEDMO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373400833 438148389 /nfs/dbraw/zinc/14/83/89/438148389.db2.gz RWHIZVDFCLZXNS-UHFFFAOYSA-N 1 1 333.396 0.411 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000349746770 438174912 /nfs/dbraw/zinc/17/49/12/438174912.db2.gz PYMZNTRCODLYDX-DLBZAZTESA-N 1 1 325.416 0.603 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000367197100 438181528 /nfs/dbraw/zinc/18/15/28/438181528.db2.gz QNSYGQNUMAZCML-MRXNPFEDSA-N 1 1 326.400 0.113 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)C1=O ZINC000374100481 438187929 /nfs/dbraw/zinc/18/79/29/438187929.db2.gz UFCUEAVWIZWNPM-HNNXBMFYSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)C1=O ZINC000374100481 438187932 /nfs/dbraw/zinc/18/79/32/438187932.db2.gz UFCUEAVWIZWNPM-HNNXBMFYSA-N 1 1 336.480 0.696 20 30 ECEDMO CC[NH+]1CCN(C(=O)Cc2noc(-c3cnn(C)c3C#N)n2)CC1 ZINC000350230250 438204213 /nfs/dbraw/zinc/20/42/13/438204213.db2.gz JHHDOBFBYPNNKF-UHFFFAOYSA-N 1 1 329.364 0.048 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000375492622 438256686 /nfs/dbraw/zinc/25/66/86/438256686.db2.gz FQPDKHWOPQYRFK-HNNXBMFYSA-N 1 1 330.432 0.563 20 30 ECEDMO C=CCOc1ccccc1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000418939070 438257682 /nfs/dbraw/zinc/25/76/82/438257682.db2.gz QNFUVLGWXRCEFO-UHFFFAOYSA-N 1 1 327.331 0.578 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376521741 438285925 /nfs/dbraw/zinc/28/59/25/438285925.db2.gz HEPOQBBVGUWWNV-OAHLLOKOSA-N 1 1 329.404 0.447 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(Cc3noc(CC)n3)C[C@H]2C1 ZINC000377433769 438312056 /nfs/dbraw/zinc/31/20/56/438312056.db2.gz UONFLARSTVLDCL-MELADBBJSA-N 1 1 331.420 0.134 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000352240467 438402103 /nfs/dbraw/zinc/40/21/03/438402103.db2.gz BXZSPRVHSZGVEW-KRWDZBQOSA-N 1 1 325.453 0.716 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000352240467 438402107 /nfs/dbraw/zinc/40/21/07/438402107.db2.gz BXZSPRVHSZGVEW-KRWDZBQOSA-N 1 1 325.453 0.716 20 30 ECEDMO C=CCNC(=O)CN1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000352385520 438416327 /nfs/dbraw/zinc/41/63/27/438416327.db2.gz ISQKFQJZWMYYTN-UHFFFAOYSA-N 1 1 344.463 0.891 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000407958793 438471723 /nfs/dbraw/zinc/47/17/23/438471723.db2.gz RWDGCEIJRACKLT-QWHCGFSZSA-N 1 1 332.470 0.100 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000369667461 438502391 /nfs/dbraw/zinc/50/23/91/438502391.db2.gz ZFUCBDSDMHZVSB-KGLIPLIRSA-N 1 1 338.452 0.572 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369670595 438502863 /nfs/dbraw/zinc/50/28/63/438502863.db2.gz OLTKDDRBDFYZTJ-GFCCVEGCSA-N 1 1 333.392 0.720 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000369675419 438504214 /nfs/dbraw/zinc/50/42/14/438504214.db2.gz FWNRRJAMMDYDPW-OWCLPIDISA-N 1 1 335.448 0.908 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000369867596 438522278 /nfs/dbraw/zinc/52/22/78/438522278.db2.gz KOVFPXWZPDPPPE-KGLIPLIRSA-N 1 1 346.522 0.836 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000441013225 438574295 /nfs/dbraw/zinc/57/42/95/438574295.db2.gz UBHSHTUJTWWTMI-JSGCOSHPSA-N 1 1 346.435 1.073 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)CC[N@@H+]1CC(C)(C)O ZINC000422481097 438577102 /nfs/dbraw/zinc/57/71/02/438577102.db2.gz OHVNWANVDMSWTG-ZDUSSCGKSA-N 1 1 338.452 0.346 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)CC[N@H+]1CC(C)(C)O ZINC000422481097 438577104 /nfs/dbraw/zinc/57/71/04/438577104.db2.gz OHVNWANVDMSWTG-ZDUSSCGKSA-N 1 1 338.452 0.346 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000410512930 438595187 /nfs/dbraw/zinc/59/51/87/438595187.db2.gz LGBNMJOIZQPOQT-JKSUJKDBSA-N 1 1 349.479 0.233 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000370153491 438555621 /nfs/dbraw/zinc/55/56/21/438555621.db2.gz ZFOUWPZDIYGNJY-FGTMMUONSA-N 1 1 347.507 0.705 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc1C#N ZINC000408362198 438560846 /nfs/dbraw/zinc/56/08/46/438560846.db2.gz MHAWHTHKKZPZNT-GJZGRUSLSA-N 1 1 336.417 0.355 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1C#N ZINC000408362198 438560849 /nfs/dbraw/zinc/56/08/49/438560849.db2.gz MHAWHTHKKZPZNT-GJZGRUSLSA-N 1 1 336.417 0.355 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410835709 438664458 /nfs/dbraw/zinc/66/44/58/438664458.db2.gz OPSIOJQJXOJZAU-CQSZACIVSA-N 1 1 338.452 0.421 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410835706 438665209 /nfs/dbraw/zinc/66/52/09/438665209.db2.gz OPSIOJQJXOJZAU-AWEZNQCLSA-N 1 1 338.452 0.421 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000447394303 438676980 /nfs/dbraw/zinc/67/69/80/438676980.db2.gz QDGCWEPEJOBJQU-ZMSDIMECSA-N 1 1 341.452 0.387 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000447394303 438676984 /nfs/dbraw/zinc/67/69/84/438676984.db2.gz QDGCWEPEJOBJQU-ZMSDIMECSA-N 1 1 341.452 0.387 20 30 ECEDMO CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000447428364 438677042 /nfs/dbraw/zinc/67/70/42/438677042.db2.gz OBXBWGXYBQIMHJ-UHFFFAOYSA-N 1 1 346.435 0.973 20 30 ECEDMO COC(=O)[C@H]1CN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC[N@@H+](C)C1 ZINC000411900071 438683733 /nfs/dbraw/zinc/68/37/33/438683733.db2.gz DCOVPYLESNCJBG-JJRVBVJISA-N 1 1 338.452 0.466 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000453726180 438692002 /nfs/dbraw/zinc/69/20/02/438692002.db2.gz RJZMIBFXIFNSMZ-KBPBESRZSA-N 1 1 344.415 0.719 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000453726180 438692005 /nfs/dbraw/zinc/69/20/05/438692005.db2.gz RJZMIBFXIFNSMZ-KBPBESRZSA-N 1 1 344.415 0.719 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000453805923 438695774 /nfs/dbraw/zinc/69/57/74/438695774.db2.gz MNQZHIVXRNGHNA-OAHLLOKOSA-N 1 1 344.415 0.768 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1C#N ZINC000453807094 438695829 /nfs/dbraw/zinc/69/58/29/438695829.db2.gz OVXWERPBQAWUGI-AWEZNQCLSA-N 1 1 344.415 0.768 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1C#N ZINC000453829214 438697223 /nfs/dbraw/zinc/69/72/23/438697223.db2.gz ZDXWWJZPAFTNBF-AWEZNQCLSA-N 1 1 344.415 0.768 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1C#N ZINC000453945613 438701934 /nfs/dbraw/zinc/70/19/34/438701934.db2.gz VVMLQIVMMVDYFT-TXEJJXNPSA-N 1 1 345.403 0.114 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1C#N ZINC000453945613 438701939 /nfs/dbraw/zinc/70/19/39/438701939.db2.gz VVMLQIVMMVDYFT-TXEJJXNPSA-N 1 1 345.403 0.114 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494703147 438704513 /nfs/dbraw/zinc/70/45/13/438704513.db2.gz LYWXJBXRVOKYHN-KGLIPLIRSA-N 1 1 329.466 0.589 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494703147 438704514 /nfs/dbraw/zinc/70/45/14/438704514.db2.gz LYWXJBXRVOKYHN-KGLIPLIRSA-N 1 1 329.466 0.589 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@]2(C#N)CCOC2)CC1=O ZINC000548468573 438729156 /nfs/dbraw/zinc/72/91/56/438729156.db2.gz AEEXRIVFPSEQBE-CPUCHLNUSA-N 1 1 334.420 0.118 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CC#N)CCOC)CC1=O ZINC000457180126 438797488 /nfs/dbraw/zinc/79/74/88/438797488.db2.gz GUOVLPXCKDCGEE-LSDHHAIUSA-N 1 1 336.436 0.318 20 30 ECEDMO C[N@@H+](CCNC(=O)C(=O)NC1CCN(CC#N)CC1)C1CCCC1 ZINC000588077014 438815822 /nfs/dbraw/zinc/81/58/22/438815822.db2.gz RSIKUFKSSWJGEW-UHFFFAOYSA-N 1 1 335.452 0.081 20 30 ECEDMO Cn1c2ncn(CC[N@H+]3CCC[C@@H](CC#N)C3)c2c(=O)n(C)c1=O ZINC000595617129 438833445 /nfs/dbraw/zinc/83/34/45/438833445.db2.gz VAZIVXDGFJOIGW-LBPRGKRZSA-N 1 1 330.392 0.059 20 30 ECEDMO CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)S(C)(=O)=O ZINC000595614690 438834344 /nfs/dbraw/zinc/83/43/44/438834344.db2.gz MOWTYUJTBHDWIS-ZDUSSCGKSA-N 1 1 330.454 0.010 20 30 ECEDMO CN(CCCNC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)S(C)(=O)=O ZINC000595614690 438834349 /nfs/dbraw/zinc/83/43/49/438834349.db2.gz MOWTYUJTBHDWIS-ZDUSSCGKSA-N 1 1 330.454 0.010 20 30 ECEDMO N#Cc1ncn(CCNC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)n1 ZINC000595621338 438835620 /nfs/dbraw/zinc/83/56/20/438835620.db2.gz NSROPNRVCXJROC-HNNXBMFYSA-N 1 1 339.403 0.723 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000559841349 438836118 /nfs/dbraw/zinc/83/61/18/438836118.db2.gz BNONVFWUCMDMDY-SNPRPXQTSA-N 1 1 331.420 0.379 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000559841349 438836122 /nfs/dbraw/zinc/83/61/22/438836122.db2.gz BNONVFWUCMDMDY-SNPRPXQTSA-N 1 1 331.420 0.379 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000562650803 438853750 /nfs/dbraw/zinc/85/37/50/438853750.db2.gz GSGPSWXGYIJPAF-CVEARBPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000562650803 438853757 /nfs/dbraw/zinc/85/37/57/438853757.db2.gz GSGPSWXGYIJPAF-CVEARBPZSA-N 1 1 337.464 0.980 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)n(CCC#N)n1 ZINC000590281517 438907405 /nfs/dbraw/zinc/90/74/05/438907405.db2.gz OBMVUKSVEDJLCG-STQMWFEESA-N 1 1 330.392 0.206 20 30 ECEDMO Cn1cc(S(=O)(=O)NCC[NH+]2CCC(CCC#N)CC2)cn1 ZINC000563068421 438857813 /nfs/dbraw/zinc/85/78/13/438857813.db2.gz NDUOVUABGKVZEO-UHFFFAOYSA-N 1 1 325.438 0.714 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC(CO)(CO)C1 ZINC000595799974 438863311 /nfs/dbraw/zinc/86/33/11/438863311.db2.gz OMOXRDMATUOCIG-HNNXBMFYSA-N 1 1 331.416 0.998 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC(CO)(CO)C1 ZINC000595799974 438863316 /nfs/dbraw/zinc/86/33/16/438863316.db2.gz OMOXRDMATUOCIG-HNNXBMFYSA-N 1 1 331.416 0.998 20 30 ECEDMO CN(CCC#N)C[C@H](O)CNCC1([NH+](C)C)Cc2ccccc2C1 ZINC000564855040 438878781 /nfs/dbraw/zinc/87/87/81/438878781.db2.gz VPJORNCUEIOYJF-GOSISDBHSA-N 1 1 330.476 0.882 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ncc1C#N ZINC000515867442 438884022 /nfs/dbraw/zinc/88/40/22/438884022.db2.gz TWJAIYHDJLQDGB-QGZVFWFLSA-N 1 1 327.388 0.754 20 30 ECEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)CCC1 ZINC000517885831 438979938 /nfs/dbraw/zinc/97/99/38/438979938.db2.gz BQCPSLCYTDLKOI-SFHVURJKSA-N 1 1 326.400 0.678 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CN(c3ccncn3)C2)cc1 ZINC000601967012 438993071 /nfs/dbraw/zinc/99/30/71/438993071.db2.gz CUFZYLURDKRYKT-UHFFFAOYSA-N 1 1 343.412 0.600 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000566205476 439025328 /nfs/dbraw/zinc/02/53/28/439025328.db2.gz UHTLWCBQBKELEJ-XJKSGUPXSA-N 1 1 328.416 0.968 20 30 ECEDMO N#CCCN1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602207634 439038561 /nfs/dbraw/zinc/03/85/61/439038561.db2.gz BVVJMRZSOXCGRK-LJQANCHMSA-N 1 1 342.443 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000520650485 439091610 /nfs/dbraw/zinc/09/16/10/439091610.db2.gz YIEZGDAISLZUSR-DZGCQCFKSA-N 1 1 341.477 0.567 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1=O ZINC000520650485 439091616 /nfs/dbraw/zinc/09/16/16/439091616.db2.gz YIEZGDAISLZUSR-DZGCQCFKSA-N 1 1 341.477 0.567 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@@](O)(CC#N)C2)C[C@@H](C)O1 ZINC000591902367 439107526 /nfs/dbraw/zinc/10/75/26/439107526.db2.gz KPYHMPBEZDGHHL-CPUCHLNUSA-N 1 1 338.452 0.934 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cc(C(N)=O)no2)cc1 ZINC000591751637 439080919 /nfs/dbraw/zinc/08/09/19/439080919.db2.gz KYQFPWOMDCLFKB-GFCCVEGCSA-N 1 1 330.344 0.369 20 30 ECEDMO N#Cc1ccncc1N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000567172794 439120836 /nfs/dbraw/zinc/12/08/36/439120836.db2.gz PEPZZXYCZNCRMW-IRXDYDNUSA-N 1 1 346.431 0.632 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)ncc1C#N ZINC000567749460 439173063 /nfs/dbraw/zinc/17/30/63/439173063.db2.gz LCMSMDUHICPMOV-CQSZACIVSA-N 1 1 345.403 0.163 20 30 ECEDMO CC1CCN(C[C@@H](O)C[NH2+]C[C@H]2CNc3c(C#N)cnn3C2)CC1 ZINC000567498631 439148275 /nfs/dbraw/zinc/14/82/75/439148275.db2.gz HWMDUAFDYJJHKO-HOCLYGCPSA-N 1 1 332.452 0.479 20 30 ECEDMO C[C@H](NC(=O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1)C(=O)N(C)C ZINC000602908692 439157613 /nfs/dbraw/zinc/15/76/13/439157613.db2.gz HEULGMHWEGXKDZ-ZDUSSCGKSA-N 1 1 343.431 0.726 20 30 ECEDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CNc1ccc(C#N)cn1 ZINC000597696032 439161729 /nfs/dbraw/zinc/16/17/29/439161729.db2.gz UWEARXCWEXMPTQ-LSDHHAIUSA-N 1 1 329.404 0.687 20 30 ECEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](O)C(F)(F)F ZINC000592431447 439226121 /nfs/dbraw/zinc/22/61/21/439226121.db2.gz ZLJMEGOFWXCUQO-LDYMZIIASA-N 1 1 337.323 0.628 20 30 ECEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(C#N)n2)C1 ZINC000592289694 439193530 /nfs/dbraw/zinc/19/35/30/439193530.db2.gz QKWFDQPPHZDIHO-OCCSQVGLSA-N 1 1 327.388 0.834 20 30 ECEDMO C[NH+](C)Cc1cc(NC(=O)N2CCN(C(=O)CC#N)CC2)ccn1 ZINC000603143189 439197645 /nfs/dbraw/zinc/19/76/45/439197645.db2.gz RBTCXYFGZKDIHV-UHFFFAOYSA-N 1 1 330.392 0.733 20 30 ECEDMO C[C@@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1CC[NH+](C)CC1 ZINC000597937381 439201401 /nfs/dbraw/zinc/20/14/01/439201401.db2.gz OHWPIIPEBZXICA-AWEZNQCLSA-N 1 1 347.488 0.904 20 30 ECEDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(C#N)cc1C ZINC000592388703 439217624 /nfs/dbraw/zinc/21/76/24/439217624.db2.gz NJZQALLENGRXBW-CYBMUJFWSA-N 1 1 337.401 0.392 20 30 ECEDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cccc(C)c1C#N ZINC000592388713 439218631 /nfs/dbraw/zinc/21/86/31/439218631.db2.gz NNPZKPFNNSVMHO-ZDUSSCGKSA-N 1 1 337.401 0.392 20 30 ECEDMO N#Cc1cnn2cc(C[N@H+]3CC[C@H](CN4CCOCC4)C3)cnc12 ZINC000592502618 439244251 /nfs/dbraw/zinc/24/42/51/439244251.db2.gz VOZIWJIKMRVZDT-CQSZACIVSA-N 1 1 326.404 0.755 20 30 ECEDMO N#Cc1cnn2cc(CN3CC[C@H](C[NH+]4CCOCC4)C3)cnc12 ZINC000592502618 439244252 /nfs/dbraw/zinc/24/42/52/439244252.db2.gz VOZIWJIKMRVZDT-CQSZACIVSA-N 1 1 326.404 0.755 20 30 ECEDMO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603410257 439256501 /nfs/dbraw/zinc/25/65/01/439256501.db2.gz HEXIKGCIEQMVAE-HNNXBMFYSA-N 1 1 345.447 0.721 20 30 ECEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000603404610 439256797 /nfs/dbraw/zinc/25/67/97/439256797.db2.gz XEZIUVPCOXLJNP-UHFFFAOYSA-N 1 1 330.498 0.873 20 30 ECEDMO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000603434614 439261308 /nfs/dbraw/zinc/26/13/08/439261308.db2.gz DSTVUIGZKPEFBN-GVDBMIGSSA-N 1 1 349.479 0.774 20 30 ECEDMO COCCNC(=O)C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000603444769 439262057 /nfs/dbraw/zinc/26/20/57/439262057.db2.gz CKWWERDUQICBKU-UHFFFAOYSA-N 1 1 344.415 0.971 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)n(CCC#N)n1 ZINC000527375535 439268334 /nfs/dbraw/zinc/26/83/34/439268334.db2.gz KRACBLHSAMUDKT-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000491126354 439334491 /nfs/dbraw/zinc/33/44/91/439334491.db2.gz NHJZKPJMNRMSPQ-UHFFFAOYSA-N 1 1 325.372 0.640 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000491122229 439336031 /nfs/dbraw/zinc/33/60/31/439336031.db2.gz UKYDSXJGEVKJOC-QGZVFWFLSA-N 1 1 333.407 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](NS(C)(=O)=O)[C@H](C)CC ZINC000490900752 439308919 /nfs/dbraw/zinc/30/89/19/439308919.db2.gz XQSVJQVYNDWPPF-MCIONIFRSA-N 1 1 330.450 0.591 20 30 ECEDMO CO[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1OC ZINC000528474405 439340090 /nfs/dbraw/zinc/34/00/90/439340090.db2.gz LVCFGNDZASOQJU-IYBDPMFKSA-N 1 1 328.368 0.632 20 30 ECEDMO CO[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1OC ZINC000528474405 439340097 /nfs/dbraw/zinc/34/00/97/439340097.db2.gz LVCFGNDZASOQJU-IYBDPMFKSA-N 1 1 328.368 0.632 20 30 ECEDMO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000491193386 439345822 /nfs/dbraw/zinc/34/58/22/439345822.db2.gz YQPHWDFZGFKKFW-KDOFPFPSSA-N 1 1 332.448 0.891 20 30 ECEDMO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000491193388 439346458 /nfs/dbraw/zinc/34/64/58/439346458.db2.gz YQPHWDFZGFKKFW-RDTXWAMCSA-N 1 1 332.448 0.891 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000491202446 439348852 /nfs/dbraw/zinc/34/88/52/439348852.db2.gz OHROWBUTGGNKSF-AWEZNQCLSA-N 1 1 345.447 0.999 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000491202774 439348962 /nfs/dbraw/zinc/34/89/62/439348962.db2.gz PTZCOYBWIKGJOE-UHFFFAOYSA-N 1 1 332.448 0.809 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCOc2ccc(OCC)cc2)CC1 ZINC000491209699 439350278 /nfs/dbraw/zinc/35/02/78/439350278.db2.gz KNAKGLSFGQNSML-UHFFFAOYSA-N 1 1 345.443 0.831 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)CCC ZINC000491502967 439395075 /nfs/dbraw/zinc/39/50/75/439395075.db2.gz AOYSUVCDJYILAU-HNNXBMFYSA-N 1 1 343.493 0.652 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@]1(CO)C[C@@H](OCC)C1(C)C ZINC000491474058 439388292 /nfs/dbraw/zinc/38/82/92/439388292.db2.gz JSRHOYRXKIIPSA-RHSMWYFYSA-N 1 1 325.453 0.807 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(c3ccncn3)CC2)CC1 ZINC000491628636 439414998 /nfs/dbraw/zinc/41/49/98/439414998.db2.gz NOXTUTYJMFLGHA-UHFFFAOYSA-N 1 1 327.432 0.433 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000491640383 439417783 /nfs/dbraw/zinc/41/77/83/439417783.db2.gz YILQRXNRBYGLQK-MRXNPFEDSA-N 1 1 332.452 0.294 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000593600208 439419952 /nfs/dbraw/zinc/41/99/52/439419952.db2.gz BYZXSCBEIYGTAD-GXTWGEPZSA-N 1 1 349.412 0.669 20 30 ECEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2CN2CCOCC2)CCOCC1 ZINC000599299383 439423865 /nfs/dbraw/zinc/42/38/65/439423865.db2.gz FHLAZDJSZXCTCS-SJORKVTESA-N 1 1 337.464 0.854 20 30 ECEDMO CCOC(=O)C1(O)CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000599305654 439425102 /nfs/dbraw/zinc/42/51/02/439425102.db2.gz ARYFLFDDKFMARR-HNNXBMFYSA-N 1 1 348.399 0.688 20 30 ECEDMO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599396616 439455645 /nfs/dbraw/zinc/45/56/45/439455645.db2.gz RUJMFQPSQKKXCY-NVXWUHKLSA-N 1 1 333.432 0.950 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000491712555 439433050 /nfs/dbraw/zinc/43/30/50/439433050.db2.gz XJUPBBSJIBPTDA-KRWDZBQOSA-N 1 1 336.480 0.838 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000491711161 439433653 /nfs/dbraw/zinc/43/36/53/439433653.db2.gz ZRSKRXHEKOWGID-UONOGXRCSA-N 1 1 329.466 0.597 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000491772122 439446111 /nfs/dbraw/zinc/44/61/11/439446111.db2.gz SFQWVHNZUKQDQR-GOSISDBHSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000491772122 439446115 /nfs/dbraw/zinc/44/61/15/439446115.db2.gz SFQWVHNZUKQDQR-GOSISDBHSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000491767828 439446180 /nfs/dbraw/zinc/44/61/80/439446180.db2.gz JUXMCHBDOWHWSB-UHFFFAOYSA-N 1 1 333.344 0.857 20 30 ECEDMO C#CCN(C(=O)N[C@@H](C)C[N@H+](CC)CCC)[C@H]1CCS(=O)(=O)C1 ZINC000491785718 439451429 /nfs/dbraw/zinc/45/14/29/439451429.db2.gz SSXITWHCYQQENP-GJZGRUSLSA-N 1 1 343.493 0.939 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599414778 439460865 /nfs/dbraw/zinc/46/08/65/439460865.db2.gz IERYGDDWYWGPCA-CQSZACIVSA-N 1 1 332.470 0.415 20 30 ECEDMO CC(C)[C@H](CNC(=O)Cc1ccc(C#N)nc1)N1CC[NH+](C)CC1 ZINC000599471283 439483721 /nfs/dbraw/zinc/48/37/21/439483721.db2.gz DCUKEGXPAVJLAM-KRWDZBQOSA-N 1 1 329.448 0.884 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C1CC1 ZINC000530756946 439501526 /nfs/dbraw/zinc/50/15/26/439501526.db2.gz WRBANXYYASHHCC-DLBZAZTESA-N 1 1 347.419 0.105 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000599396519 439456286 /nfs/dbraw/zinc/45/62/86/439456286.db2.gz BQOUVENMGXUJLO-SFHVURJKSA-N 1 1 347.415 0.652 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000599396519 439456297 /nfs/dbraw/zinc/45/62/97/439456297.db2.gz BQOUVENMGXUJLO-SFHVURJKSA-N 1 1 347.415 0.652 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)/C=C\c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000492325354 439520156 /nfs/dbraw/zinc/52/01/56/439520156.db2.gz AREMRATWJALQEQ-TWGQIWQCSA-N 1 1 347.440 0.515 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)n(CCC#N)n1 ZINC000533453762 439524746 /nfs/dbraw/zinc/52/47/46/439524746.db2.gz UBUYPTJYSFBPRW-OLZOCXBDSA-N 1 1 344.419 0.785 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)N2Cc3ccc(C#N)cc3C2)CC1 ZINC000594208561 439525664 /nfs/dbraw/zinc/52/56/64/439525664.db2.gz GFSZXWDROTZWPF-UHFFFAOYSA-N 1 1 341.415 0.748 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000594290972 439536265 /nfs/dbraw/zinc/53/62/65/439536265.db2.gz FWBBKBHXPLRPMU-UHFFFAOYSA-N 1 1 333.392 0.285 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2ccc(C#N)nc2)C[C@@H]1C ZINC000599729111 439547371 /nfs/dbraw/zinc/54/73/71/439547371.db2.gz VZSCBLQGKFRBFR-ZDUSSCGKSA-N 1 1 330.388 0.592 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2ccc(C#N)nc2)C[C@@H]1C ZINC000599729111 439547376 /nfs/dbraw/zinc/54/73/76/439547376.db2.gz VZSCBLQGKFRBFR-ZDUSSCGKSA-N 1 1 330.388 0.592 20 30 ECEDMO N#CCC1CC[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000541021979 439551156 /nfs/dbraw/zinc/55/11/56/439551156.db2.gz RJPUXTKTEXXRKP-UHFFFAOYSA-N 1 1 336.417 0.898 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCN1CCCC1=O ZINC000532312251 439515371 /nfs/dbraw/zinc/51/53/71/439515371.db2.gz ZRBUKFBDKKDPPK-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCN1CCCC1=O ZINC000532312251 439515379 /nfs/dbraw/zinc/51/53/79/439515379.db2.gz ZRBUKFBDKKDPPK-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000594484058 439568949 /nfs/dbraw/zinc/56/89/49/439568949.db2.gz QTKAXVIIEFKCIL-RDBSUJKOSA-N 1 1 328.438 0.062 20 30 ECEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cc1 ZINC000599940191 439580467 /nfs/dbraw/zinc/58/04/67/439580467.db2.gz MJCQXFPLWOWZLN-SQNIBIBYSA-N 1 1 338.411 0.908 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)nn1CCC#N ZINC000600035361 439600458 /nfs/dbraw/zinc/60/04/58/439600458.db2.gz MRUMTENPQWXGLB-AWEZNQCLSA-N 1 1 346.435 0.892 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000572959605 439617972 /nfs/dbraw/zinc/61/79/72/439617972.db2.gz ZXSNVEBBDONQPB-INIZCTEOSA-N 1 1 328.416 0.969 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)n(CCC#N)n1 ZINC000610951859 439660687 /nfs/dbraw/zinc/66/06/87/439660687.db2.gz MXOJUERHWKBRAW-CQSZACIVSA-N 1 1 344.419 0.644 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCOC[C@H]3C)CC2)o1 ZINC000610990621 439664915 /nfs/dbraw/zinc/66/49/15/439664915.db2.gz DAMOREDBNFEWRS-CYBMUJFWSA-N 1 1 347.419 0.614 20 30 ECEDMO N#Cc1ccc(N2CC[C@@H](C(=O)NCC[N@@H+]3CC[C@H](O)C3)C2)c(F)c1 ZINC000600808748 439706168 /nfs/dbraw/zinc/70/61/68/439706168.db2.gz PAUYWWKRNLLAFD-CABCVRRESA-N 1 1 346.406 0.706 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCc1nnn(C(C)(C)C)n1 ZINC000595393336 439720295 /nfs/dbraw/zinc/72/02/95/439720295.db2.gz ASBVDJBHJXBYOS-UHFFFAOYSA-N 1 1 331.428 0.712 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000611225057 439682638 /nfs/dbraw/zinc/68/26/38/439682638.db2.gz PRAVXRXFDCGOHK-OAHLLOKOSA-N 1 1 346.435 0.365 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000611225801 439682797 /nfs/dbraw/zinc/68/27/97/439682797.db2.gz OYTWIFDWGLFCRK-JKSUJKDBSA-N 1 1 329.400 0.799 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000611225801 439682801 /nfs/dbraw/zinc/68/28/01/439682801.db2.gz OYTWIFDWGLFCRK-JKSUJKDBSA-N 1 1 329.400 0.799 20 30 ECEDMO C=C[C@H](CO)NC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000663449106 440075384 /nfs/dbraw/zinc/07/53/84/440075384.db2.gz AVMDBOIBQTYOGX-KGLIPLIRSA-N 1 1 338.477 0.883 20 30 ECEDMO C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000636878900 440075650 /nfs/dbraw/zinc/07/56/50/440075650.db2.gz YRJUYBDBLDFODF-KGLIPLIRSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000636878900 440075659 /nfs/dbraw/zinc/07/56/59/440075659.db2.gz YRJUYBDBLDFODF-KGLIPLIRSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCCC1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCC1 ZINC000658786891 440115333 /nfs/dbraw/zinc/11/53/33/440115333.db2.gz UIOYHAQWEMWMGY-JKSUJKDBSA-N 1 1 349.475 0.907 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000618900668 440174386 /nfs/dbraw/zinc/17/43/86/440174386.db2.gz OZODIPKICYWEON-INMHGKMJSA-N 1 1 331.416 0.997 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000618900668 440174394 /nfs/dbraw/zinc/17/43/94/440174394.db2.gz OZODIPKICYWEON-INMHGKMJSA-N 1 1 331.416 0.997 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000659737355 440473335 /nfs/dbraw/zinc/47/33/35/440473335.db2.gz UZMPDOOTDKPTKP-OAHLLOKOSA-N 1 1 332.404 0.263 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666949153 440713421 /nfs/dbraw/zinc/71/34/21/440713421.db2.gz KGWYRDOMIUUQEE-BZUAXINKSA-N 1 1 335.448 0.703 20 30 ECEDMO C=CCn1cc(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)nn1 ZINC000644935779 440717853 /nfs/dbraw/zinc/71/78/53/440717853.db2.gz BZZRPGNESZGVQD-AWEZNQCLSA-N 1 1 347.467 0.432 20 30 ECEDMO C=C(C)C[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1=O ZINC000630972353 440994478 /nfs/dbraw/zinc/99/44/78/440994478.db2.gz LSKSFNJGYFXBEW-KBPBESRZSA-N 1 1 336.436 0.816 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001041736537 782086017 /nfs/dbraw/zinc/08/60/17/782086017.db2.gz TUNIGOZEIJFJST-DZGCQCFKSA-N 1 1 327.450 0.131 20 30 ECEDMO C[C@@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000545273230 322108092 /nfs/dbraw/zinc/10/80/92/322108092.db2.gz RSFYLSNKLHDBNM-ZDUSSCGKSA-N 1 1 333.440 0.195 20 30 ECEDMO COCC(COC)[NH+]1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000563517548 322324470 /nfs/dbraw/zinc/32/44/70/322324470.db2.gz CCTSTUUFUWKUBM-UHFFFAOYSA-N 1 1 331.416 0.906 20 30 ECEDMO N#Cc1ccncc1N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000567172792 322573462 /nfs/dbraw/zinc/57/34/62/322573462.db2.gz PEPZZXYCZNCRMW-DLBZAZTESA-N 1 1 346.431 0.632 20 30 ECEDMO CN(C)c1ncc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)n1C ZINC000579344672 322893187 /nfs/dbraw/zinc/89/31/87/322893187.db2.gz KYMZXVHHUYDFNN-UHFFFAOYSA-N 1 1 347.444 0.921 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ccco1 ZINC001077998952 782105677 /nfs/dbraw/zinc/10/56/77/782105677.db2.gz ULFHFVSRWUXSKF-HOCLYGCPSA-N 1 1 331.416 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ccco1 ZINC001077998952 782105681 /nfs/dbraw/zinc/10/56/81/782105681.db2.gz ULFHFVSRWUXSKF-HOCLYGCPSA-N 1 1 331.416 0.931 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000025302328 545659633 /nfs/dbraw/zinc/65/96/33/545659633.db2.gz NSXOXDLNVUOHMX-QGZVFWFLSA-N 1 1 347.459 0.655 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](O)[C@H](C)C3)CC2)o1 ZINC000186915646 545899570 /nfs/dbraw/zinc/89/95/70/545899570.db2.gz SEELODXXYZNVKJ-IUODEOHRSA-N 1 1 347.419 0.206 20 30 ECEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ncn2nccc2c1=O ZINC000329255987 546017806 /nfs/dbraw/zinc/01/78/06/546017806.db2.gz XKLALHVIJYFEET-CHWSQXEVSA-N 1 1 332.408 0.968 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000330202698 546040829 /nfs/dbraw/zinc/04/08/29/546040829.db2.gz ZQDJMANNRBHXCS-MGPQQGTHSA-N 1 1 329.466 0.894 20 30 ECEDMO COCCn1nnc2c1CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000330344533 546044524 /nfs/dbraw/zinc/04/45/24/546044524.db2.gz DAVQOCGFQJGRNN-QWHCGFSZSA-N 1 1 336.440 0.679 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000333113313 546058144 /nfs/dbraw/zinc/05/81/44/546058144.db2.gz SQBOEFFIHPMPPE-FYPARCSTSA-N 1 1 346.431 0.510 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H](CO)C2)CC1 ZINC000420938420 546215118 /nfs/dbraw/zinc/21/51/18/546215118.db2.gz KTWQCQTVPUVIKP-BRWVUGGUSA-N 1 1 336.480 0.629 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000619708615 546359002 /nfs/dbraw/zinc/35/90/02/546359002.db2.gz DPSUPLVLEPXOJY-HUUCEWRRSA-N 1 1 344.481 0.509 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCSC[C@@H]1CO ZINC000625278659 547060502 /nfs/dbraw/zinc/06/05/02/547060502.db2.gz OCEXCBFACXDYAG-ZDUSSCGKSA-N 1 1 330.409 0.696 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCSC[C@@H]1CO ZINC000625278659 547060507 /nfs/dbraw/zinc/06/05/07/547060507.db2.gz OCEXCBFACXDYAG-ZDUSSCGKSA-N 1 1 330.409 0.696 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626034420 547273366 /nfs/dbraw/zinc/27/33/66/547273366.db2.gz ZPTXTQQAJRZNFP-GFCCVEGCSA-N 1 1 332.470 0.057 20 30 ECEDMO C=CCn1c(-c2cc[nH]n2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000669029313 547816689 /nfs/dbraw/zinc/81/66/89/547816689.db2.gz XYCCAPMMGYWEJA-CYBMUJFWSA-N 1 1 329.408 0.765 20 30 ECEDMO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000669055383 547820689 /nfs/dbraw/zinc/82/06/89/547820689.db2.gz CCITWHHBJILFOH-CABCVRRESA-N 1 1 349.435 0.463 20 30 ECEDMO C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCNC(=O)C1 ZINC000669334256 547878553 /nfs/dbraw/zinc/87/85/53/547878553.db2.gz AWINDZHZTWLHAP-KGLIPLIRSA-N 1 1 346.435 0.326 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)nc1 ZINC001078030440 782175761 /nfs/dbraw/zinc/17/57/61/782175761.db2.gz ZAJOHVAFCHXUJQ-USXIJHARSA-N 1 1 329.400 0.264 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)cn1 ZINC001078032308 782179642 /nfs/dbraw/zinc/17/96/42/782179642.db2.gz HUKAUVNNZSQTAB-KBRIMQKVSA-N 1 1 329.400 0.264 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)cn1 ZINC001078032491 782181113 /nfs/dbraw/zinc/18/11/13/782181113.db2.gz QPZVJSWEPSVNAF-HZPDHXFCSA-N 1 1 342.424 0.537 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)cn1 ZINC001078032491 782181118 /nfs/dbraw/zinc/18/11/18/782181118.db2.gz QPZVJSWEPSVNAF-HZPDHXFCSA-N 1 1 342.424 0.537 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC001041778045 782185130 /nfs/dbraw/zinc/18/51/30/782185130.db2.gz SSOSUASYLBEMHG-PBHICJAKSA-N 1 1 331.420 0.964 20 30 ECEDMO Cc1cc(=O)[nH]c(NN=Cc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000755462890 579433798 /nfs/dbraw/zinc/43/37/98/579433798.db2.gz FDQNBFHXGLPIRN-UHFFFAOYSA-N 1 1 328.380 0.478 20 30 ECEDMO C[NH+]1CCN(c2ncc(C=NNc3cn[nH]c(=O)c3Cl)cn2)CC1 ZINC000755620061 579436172 /nfs/dbraw/zinc/43/61/72/579436172.db2.gz CXRBJSMTVFEREA-UHFFFAOYSA-N 1 1 348.798 0.823 20 30 ECEDMO C[NH+]1CCN(c2ncc(C=[NH+][N-]c3ccc([N+](=O)[O-])cn3)cn2)CC1 ZINC000755648584 579436497 /nfs/dbraw/zinc/43/64/97/579436497.db2.gz IKCCKKMEXCWXJD-UHFFFAOYSA-N 1 1 342.363 0.978 20 30 ECEDMO C[C@H]1C[N@@H+](C2CC2)CC1=NNC(=S)NCCCN1CCOCC1 ZINC000755879434 579440375 /nfs/dbraw/zinc/44/03/75/579440375.db2.gz GFBKRPAUNGFCLJ-ZDUSSCGKSA-N 1 1 339.509 0.643 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)CC1=NNC(=S)NCCCN1CCOCC1 ZINC000755879434 579440376 /nfs/dbraw/zinc/44/03/76/579440376.db2.gz GFBKRPAUNGFCLJ-ZDUSSCGKSA-N 1 1 339.509 0.643 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)CC1=NNC(=S)NCCCN1CCOCC1 ZINC000755879430 579440395 /nfs/dbraw/zinc/44/03/95/579440395.db2.gz GFBKRPAUNGFCLJ-CYBMUJFWSA-N 1 1 339.509 0.643 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)CC1=NNC(=S)NCCCN1CCOCC1 ZINC000755879430 579440396 /nfs/dbraw/zinc/44/03/96/579440396.db2.gz GFBKRPAUNGFCLJ-CYBMUJFWSA-N 1 1 339.509 0.643 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000757685237 579463224 /nfs/dbraw/zinc/46/32/24/579463224.db2.gz JWGWUPQMTAWHEG-FRRXILTGSA-N 1 1 347.419 0.295 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000758340174 579471253 /nfs/dbraw/zinc/47/12/53/579471253.db2.gz WTKGEVBIVNQRGX-QPVORFQCSA-N 1 1 332.404 0.502 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@H]2C2CCC2)c1=O ZINC000728198709 578288247 /nfs/dbraw/zinc/28/82/47/578288247.db2.gz DEQCIONAGLAUDE-HNNXBMFYSA-N 1 1 346.431 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000728966512 578292068 /nfs/dbraw/zinc/29/20/68/578292068.db2.gz ACZWGDQNCWGGBP-MRXNPFEDSA-N 1 1 328.416 0.735 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc1 ZINC000729497640 578296025 /nfs/dbraw/zinc/29/60/25/578296025.db2.gz XRSHQFLVRHOIDF-HUUCEWRRSA-N 1 1 344.419 0.528 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)c1ccc(OC)cc1 ZINC000730097970 578303250 /nfs/dbraw/zinc/30/32/50/578303250.db2.gz PLOWNMWXAGTUBT-INIZCTEOSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)c1ccc(OC)cc1 ZINC000730097970 578303251 /nfs/dbraw/zinc/30/32/51/578303251.db2.gz PLOWNMWXAGTUBT-INIZCTEOSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000730096453 578303255 /nfs/dbraw/zinc/30/32/55/578303255.db2.gz REMQIPGVIORSNN-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000730096453 578303256 /nfs/dbraw/zinc/30/32/56/578303256.db2.gz REMQIPGVIORSNN-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000731374064 578312396 /nfs/dbraw/zinc/31/23/96/578312396.db2.gz RAGOGAPMLQGXLI-HNNXBMFYSA-N 1 1 341.477 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000731374064 578312397 /nfs/dbraw/zinc/31/23/97/578312397.db2.gz RAGOGAPMLQGXLI-HNNXBMFYSA-N 1 1 341.477 0.357 20 30 ECEDMO N#Cc1cc(F)cc(C2(C(=O)NC3CC[NH+](CC(N)=O)CC3)CC2)c1 ZINC000794947773 578601806 /nfs/dbraw/zinc/60/18/06/578601806.db2.gz JFRYXCAZINPDSK-UHFFFAOYSA-N 1 1 344.390 0.795 20 30 ECEDMO N#Cc1ccc(OC2CC[NH+](CCS(N)(=O)=O)CC2)c(F)c1 ZINC000796515774 578625653 /nfs/dbraw/zinc/62/56/53/578625653.db2.gz BARFYFMUSUDLRR-UHFFFAOYSA-N 1 1 327.381 0.829 20 30 ECEDMO C[C@H](O)C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@@H](C)CO ZINC000785533379 578770642 /nfs/dbraw/zinc/77/06/42/578770642.db2.gz DNBPULXNGCCKGW-STQMWFEESA-N 1 1 330.388 0.484 20 30 ECEDMO C[C@H](O)C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@@H](C)CO ZINC000785533379 578770643 /nfs/dbraw/zinc/77/06/43/578770643.db2.gz DNBPULXNGCCKGW-STQMWFEESA-N 1 1 330.388 0.484 20 30 ECEDMO COC(=O)COc1ccc(C=NNC2=[NH+]C[C@H](C)N2)cc1[N+](=O)[O-] ZINC000788725955 578843427 /nfs/dbraw/zinc/84/34/27/578843427.db2.gz QZZGGJDZEBCNLY-VIFPVBQESA-N 1 1 335.320 0.418 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000788894069 578844874 /nfs/dbraw/zinc/84/48/74/578844874.db2.gz QPONEOYKRDOVSM-OAHLLOKOSA-N 1 1 333.436 0.769 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000790034577 578866552 /nfs/dbraw/zinc/86/65/52/578866552.db2.gz MAUURCMAAXQGIR-CYBMUJFWSA-N 1 1 342.465 0.104 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000793843335 578940881 /nfs/dbraw/zinc/94/08/81/578940881.db2.gz IQQAMFUNDCNEJG-IRXDYDNUSA-N 1 1 343.427 0.532 20 30 ECEDMO N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CCO2)c1 ZINC000765380792 579064114 /nfs/dbraw/zinc/06/41/14/579064114.db2.gz KCKMJXLRNOTSFU-ROUUACIJSA-N 1 1 340.427 0.848 20 30 ECEDMO C#CCN1CCC(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000772112425 579200499 /nfs/dbraw/zinc/20/04/99/579200499.db2.gz AHDFMDRFULDFKE-UHFFFAOYSA-N 1 1 349.475 0.864 20 30 ECEDMO C#C[C@H](NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000773366784 579225862 /nfs/dbraw/zinc/22/58/62/579225862.db2.gz HLXDETDOGZZJAP-YESZJQIVSA-N 1 1 336.480 0.740 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)CC1 ZINC000773697351 579232275 /nfs/dbraw/zinc/23/22/75/579232275.db2.gz VMIJCBBUDZXOAA-ZWKOTPCHSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000774165455 579241440 /nfs/dbraw/zinc/24/14/40/579241440.db2.gz OHPXUGVIAQNLLN-RBSFLKMASA-N 1 1 339.461 0.445 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@H]1CCCO1 ZINC000775793742 579271419 /nfs/dbraw/zinc/27/14/19/579271419.db2.gz NLFRSKIWUJBYGF-LSDHHAIUSA-N 1 1 345.399 0.334 20 30 ECEDMO C#C[C@H](NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000776106481 579274992 /nfs/dbraw/zinc/27/49/92/579274992.db2.gz BJBFGIRCUMUTRG-GVDBMIGSSA-N 1 1 336.480 0.738 20 30 ECEDMO C#C[C@@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000776225880 579277964 /nfs/dbraw/zinc/27/79/64/579277964.db2.gz CJQDXFAOVIKZOX-HZPDHXFCSA-N 1 1 336.480 0.883 20 30 ECEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000776592891 579285462 /nfs/dbraw/zinc/28/54/62/579285462.db2.gz PCDWOTYWZDWUKQ-MRXNPFEDSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000778325226 579308212 /nfs/dbraw/zinc/30/82/12/579308212.db2.gz HOERMQSZDFCYNE-IRXDYDNUSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000778325226 579308213 /nfs/dbraw/zinc/30/82/13/579308213.db2.gz HOERMQSZDFCYNE-IRXDYDNUSA-N 1 1 335.448 0.034 20 30 ECEDMO COc1cc(C=NNC2=[NH+]C[C@H](C)N2)cc(Cl)c1OCC(N)=O ZINC000779798670 579320928 /nfs/dbraw/zinc/32/09/28/579320928.db2.gz DQQHHHGGIHURNE-QMMMGPOBSA-N 1 1 339.783 0.484 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CCC[C@H]2C)cc1 ZINC000742240492 579783865 /nfs/dbraw/zinc/78/38/65/579783865.db2.gz QPWMBYCEJHBLGY-CQSZACIVSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CC[C@@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)OC ZINC000837941649 588966469 /nfs/dbraw/zinc/96/64/69/588966469.db2.gz ICLYFMGRHNCCBY-CRAIPNDOSA-N 1 1 330.384 0.305 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000841215104 588982923 /nfs/dbraw/zinc/98/29/23/588982923.db2.gz JBVSDXCUJKTQDJ-UHFFFAOYSA-N 1 1 329.278 0.486 20 30 ECEDMO C=CCC[C@H]1NC(=O)N(C2CC[NH+](CC(=O)NCCC)CC2)C1=O ZINC000842234507 589023465 /nfs/dbraw/zinc/02/34/65/589023465.db2.gz ARMFNAYOGMABAI-CQSZACIVSA-N 1 1 336.436 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000890993133 586074307 /nfs/dbraw/zinc/07/43/07/586074307.db2.gz GBGMTHQLFANPPB-RYUDHWBXSA-N 1 1 349.822 0.628 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000890993133 586074308 /nfs/dbraw/zinc/07/43/08/586074308.db2.gz GBGMTHQLFANPPB-RYUDHWBXSA-N 1 1 349.822 0.628 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC#C[C@H]2CCCCO2)C1 ZINC000891107518 586082780 /nfs/dbraw/zinc/08/27/80/586082780.db2.gz RKDUZPCSJCTPRV-HZPDHXFCSA-N 1 1 336.432 0.950 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC#C[C@H]2CCCCO2)C1 ZINC000891107518 586082782 /nfs/dbraw/zinc/08/27/82/586082782.db2.gz RKDUZPCSJCTPRV-HZPDHXFCSA-N 1 1 336.432 0.950 20 30 ECEDMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC000891308977 586161924 /nfs/dbraw/zinc/16/19/24/586161924.db2.gz XDSWYFQATBESIL-LLVKDONJSA-N 1 1 334.351 0.855 20 30 ECEDMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC000891308977 586161927 /nfs/dbraw/zinc/16/19/27/586161927.db2.gz XDSWYFQATBESIL-LLVKDONJSA-N 1 1 334.351 0.855 20 30 ECEDMO Cc1c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cnn1CCC#N ZINC000896212461 586227937 /nfs/dbraw/zinc/22/79/37/586227937.db2.gz JTNQFXWTYXPGDA-HZPDHXFCSA-N 1 1 331.420 0.776 20 30 ECEDMO Cn1c(C#N)ccc1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896230937 586229637 /nfs/dbraw/zinc/22/96/37/586229637.db2.gz UQFADTJIIXJJIL-UHFFFAOYSA-N 1 1 344.419 0.022 20 30 ECEDMO C#C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896469068 586242384 /nfs/dbraw/zinc/24/23/84/586242384.db2.gz HISDXPGOBYIEKQ-QZTJIDSGSA-N 1 1 348.491 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)OC)C[C@H]32)C1 ZINC000896489417 586243853 /nfs/dbraw/zinc/24/38/53/586243853.db2.gz OABXYRHECUWLQF-QCODTGAPSA-N 1 1 333.432 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)OC)C[C@H]32)C1 ZINC000896489417 586243854 /nfs/dbraw/zinc/24/38/54/586243854.db2.gz OABXYRHECUWLQF-QCODTGAPSA-N 1 1 333.432 0.971 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)nc1 ZINC000897222789 586288969 /nfs/dbraw/zinc/28/89/69/586288969.db2.gz XTSZWYYKGDDWCY-CVEARBPZSA-N 1 1 328.416 0.480 20 30 ECEDMO C#CC1(O)CN(C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000893168134 586314315 /nfs/dbraw/zinc/31/43/15/586314315.db2.gz KXQPEBWMRFZDLY-WBVHZDCISA-N 1 1 343.427 0.665 20 30 ECEDMO C#CC1(O)CN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000893168134 586314319 /nfs/dbraw/zinc/31/43/19/586314319.db2.gz KXQPEBWMRFZDLY-WBVHZDCISA-N 1 1 343.427 0.665 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000897583633 586347340 /nfs/dbraw/zinc/34/73/40/586347340.db2.gz XWIJINJSQLQSLW-CVEARBPZSA-N 1 1 330.432 0.933 20 30 ECEDMO C[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1(C)C ZINC000897629038 586353164 /nfs/dbraw/zinc/35/31/64/586353164.db2.gz MKNXKSFCMCXUMU-UHFFFAOYSA-N 1 1 332.379 0.866 20 30 ECEDMO C[N@H+]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1(C)C ZINC000897629038 586353167 /nfs/dbraw/zinc/35/31/67/586353167.db2.gz MKNXKSFCMCXUMU-UHFFFAOYSA-N 1 1 332.379 0.866 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cc1 ZINC000840504149 586380468 /nfs/dbraw/zinc/38/04/68/586380468.db2.gz ONADWTWPYZZOGY-HNNXBMFYSA-N 1 1 330.384 0.875 20 30 ECEDMO C=CCN(CC(=O)OCC)C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000901212258 586701994 /nfs/dbraw/zinc/70/19/94/586701994.db2.gz AOAQVWBVWPZBCG-UHFFFAOYSA-N 1 1 325.453 0.980 20 30 ECEDMO CC(C)(C)OC(=O)N[C@H]1CC(N=NC2=[NH+]CCN2)C12CCOCC2 ZINC000901252677 586703765 /nfs/dbraw/zinc/70/37/65/586703765.db2.gz LNBBLEFFDRUYBV-NSHDSACASA-N 1 1 337.424 0.985 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCSC[C@@H]2C#N)C1 ZINC000901323282 586708145 /nfs/dbraw/zinc/70/81/45/586708145.db2.gz QNLJZZGHBYQNHQ-OLZOCXBDSA-N 1 1 325.434 0.729 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCSC[C@@H]2C#N)C1 ZINC000901323282 586708146 /nfs/dbraw/zinc/70/81/46/586708146.db2.gz QNLJZZGHBYQNHQ-OLZOCXBDSA-N 1 1 325.434 0.729 20 30 ECEDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000838228087 586800513 /nfs/dbraw/zinc/80/05/13/586800513.db2.gz NYTTXSUDPVXMJA-CQSZACIVSA-N 1 1 332.404 0.797 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000838228087 586800516 /nfs/dbraw/zinc/80/05/16/586800516.db2.gz NYTTXSUDPVXMJA-CQSZACIVSA-N 1 1 332.404 0.797 20 30 ECEDMO COc1ccc(CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1C#N ZINC000838524029 586811498 /nfs/dbraw/zinc/81/14/98/586811498.db2.gz DMJWVNDVXYYPOF-CYBMUJFWSA-N 1 1 332.404 0.775 20 30 ECEDMO COc1ccc(CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1C#N ZINC000838524029 586811500 /nfs/dbraw/zinc/81/15/00/586811500.db2.gz DMJWVNDVXYYPOF-CYBMUJFWSA-N 1 1 332.404 0.775 20 30 ECEDMO C#C[C@@H]1COCCN1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000839194973 586840466 /nfs/dbraw/zinc/84/04/66/586840466.db2.gz MLCGIUMPMWXQBF-LJQANCHMSA-N 1 1 341.455 0.973 20 30 ECEDMO C#C[C@@H]1COCCN1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000839195169 586841042 /nfs/dbraw/zinc/84/10/42/586841042.db2.gz ROFHGSHLPYGVPX-LJQANCHMSA-N 1 1 341.455 0.973 20 30 ECEDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758190433 586896227 /nfs/dbraw/zinc/89/62/27/586896227.db2.gz FTZHLVBJTZAMPX-DZGCQCFKSA-N 1 1 332.404 0.541 20 30 ECEDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758190433 586896228 /nfs/dbraw/zinc/89/62/28/586896228.db2.gz FTZHLVBJTZAMPX-DZGCQCFKSA-N 1 1 332.404 0.541 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)c1ccncc1 ZINC000805815656 586940639 /nfs/dbraw/zinc/94/06/39/586940639.db2.gz SCRWLLFVILDWLQ-VNQPRFMTSA-N 1 1 346.431 0.650 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccncc1 ZINC000805815656 586940641 /nfs/dbraw/zinc/94/06/41/586940641.db2.gz SCRWLLFVILDWLQ-VNQPRFMTSA-N 1 1 346.431 0.650 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000906672828 586964015 /nfs/dbraw/zinc/96/40/15/586964015.db2.gz OLGFFZUWQOBALO-UHFFFAOYSA-N 1 1 342.443 0.998 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000801525480 586998584 /nfs/dbraw/zinc/99/85/84/586998584.db2.gz LBOKYBMLTYLOIB-OAHLLOKOSA-N 1 1 341.477 0.563 20 30 ECEDMO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c(F)c1 ZINC000802565970 587022067 /nfs/dbraw/zinc/02/20/67/587022067.db2.gz SUWADEJWXHVMQY-INIZCTEOSA-N 1 1 337.326 0.067 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000803209017 587055935 /nfs/dbraw/zinc/05/59/35/587055935.db2.gz JWRGZBCFUMQLNX-OLZOCXBDSA-N 1 1 327.450 0.001 20 30 ECEDMO C#CCCCNC(=O)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000806224523 587091370 /nfs/dbraw/zinc/09/13/70/587091370.db2.gz KPLUIVCSDZKVKM-CVEARBPZSA-N 1 1 337.464 0.769 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@H](C3CC3)C2)c1=O ZINC000808230679 587150805 /nfs/dbraw/zinc/15/08/05/587150805.db2.gz NMZCMUZJGNGGFY-HNNXBMFYSA-N 1 1 346.431 0.623 20 30 ECEDMO COC(=O)[C@@H]1CC(=O)N(C[N@H+](C)CCOCc2ccc(C#N)cc2)C1 ZINC000808236009 587150964 /nfs/dbraw/zinc/15/09/64/587150964.db2.gz PFILWVXXTSFDBX-MRXNPFEDSA-N 1 1 345.399 0.986 20 30 ECEDMO COC(=O)[C@@H]1CC(=O)N(C[N@@H+](C)CCOCc2ccc(C#N)cc2)C1 ZINC000808236009 587150966 /nfs/dbraw/zinc/15/09/66/587150966.db2.gz PFILWVXXTSFDBX-MRXNPFEDSA-N 1 1 345.399 0.986 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCCO1 ZINC000809313960 587175115 /nfs/dbraw/zinc/17/51/15/587175115.db2.gz WNHDUZYYKOEONM-ZNMIVQPWSA-N 1 1 335.448 0.520 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@H]1CCCO1 ZINC000809313747 587175162 /nfs/dbraw/zinc/17/51/62/587175162.db2.gz UUQDSLNVPIHHJL-OWCLPIDISA-N 1 1 335.448 0.616 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CCCO1 ZINC000809313927 587175282 /nfs/dbraw/zinc/17/52/82/587175282.db2.gz YUZIGYDSHNXXGB-VGWMRTNUSA-N 1 1 335.448 0.520 20 30 ECEDMO C=C[C@H](O)C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000814551589 587276881 /nfs/dbraw/zinc/27/68/81/587276881.db2.gz VPMWQVLDGNAZGH-AWEZNQCLSA-N 1 1 340.420 0.228 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000815860642 587300760 /nfs/dbraw/zinc/30/07/60/587300760.db2.gz VCEWQWHVZAQJJJ-UHFFFAOYSA-N 1 1 344.415 0.679 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000815861715 587300765 /nfs/dbraw/zinc/30/07/65/587300765.db2.gz WFGIDNITAWSLBW-UHFFFAOYSA-N 1 1 344.415 0.963 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)Cc2ccccc2CC#N)CC1 ZINC000844142298 589096721 /nfs/dbraw/zinc/09/67/21/589096721.db2.gz BBSHITXYBLVTHI-UHFFFAOYSA-N 1 1 328.416 0.575 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000817812455 587386517 /nfs/dbraw/zinc/38/65/17/587386517.db2.gz LHRFLPSVXHDXMF-OAHLLOKOSA-N 1 1 343.427 0.369 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000817817331 587386793 /nfs/dbraw/zinc/38/67/93/587386793.db2.gz PGAIMNJOEJJJQS-QGZVFWFLSA-N 1 1 325.412 0.885 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000817839034 587388504 /nfs/dbraw/zinc/38/85/04/587388504.db2.gz GAODQKRBHSJVSA-CXAGYDPISA-N 1 1 325.412 0.883 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 ZINC000818593123 587439659 /nfs/dbraw/zinc/43/96/59/587439659.db2.gz MTKOHIXPBJQGKO-QGZVFWFLSA-N 1 1 329.400 0.872 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCc1cccc(S(N)(=O)=O)c1 ZINC000820681975 587549608 /nfs/dbraw/zinc/54/96/08/587549608.db2.gz ZEWWTFAVDXZVCH-UHFFFAOYSA-N 1 1 337.445 0.338 20 30 ECEDMO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)CC(=O)NCCC#N ZINC000823633294 587735392 /nfs/dbraw/zinc/73/53/92/587735392.db2.gz JIHQUZKMFZBTML-UHFFFAOYSA-N 1 1 328.372 0.634 20 30 ECEDMO C[N@H+]1C[C@@H]2CCCN(C(=O)NCCNC(=O)C3N=CC=CC3=O)[C@@H]2C1 ZINC000824321568 587868134 /nfs/dbraw/zinc/86/81/34/587868134.db2.gz UZBAULGPCFMWKA-PUSDIMDNSA-N 1 1 347.419 0.248 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cncc(OC)c2)CC1 ZINC000824965243 587905852 /nfs/dbraw/zinc/90/58/52/587905852.db2.gz MWPCQYJVVIVAMR-KRWDZBQOSA-N 1 1 328.416 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cncc(OC)c2)CC1 ZINC000824965243 587905854 /nfs/dbraw/zinc/90/58/54/587905854.db2.gz MWPCQYJVVIVAMR-KRWDZBQOSA-N 1 1 328.416 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CSCN2C(=O)OCC)C1 ZINC000829581606 588330941 /nfs/dbraw/zinc/33/09/41/588330941.db2.gz BGWGLWMTRXQTQP-STQMWFEESA-N 1 1 325.434 0.732 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CSCN2C(=O)OCC)C1 ZINC000829581606 588330943 /nfs/dbraw/zinc/33/09/43/588330943.db2.gz BGWGLWMTRXQTQP-STQMWFEESA-N 1 1 325.434 0.732 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)C1 ZINC000829581574 588331053 /nfs/dbraw/zinc/33/10/53/588331053.db2.gz AJNDXYBYQHMSFY-XJKSGUPXSA-N 1 1 329.404 0.435 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)C1 ZINC000829581574 588331054 /nfs/dbraw/zinc/33/10/54/588331054.db2.gz AJNDXYBYQHMSFY-XJKSGUPXSA-N 1 1 329.404 0.435 20 30 ECEDMO C#C[C@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000847032495 589233396 /nfs/dbraw/zinc/23/33/96/589233396.db2.gz UGXRDXJHCQQEGB-HNNXBMFYSA-N 1 1 341.415 0.849 20 30 ECEDMO N#CCCNC(=O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000852336910 589491774 /nfs/dbraw/zinc/49/17/74/589491774.db2.gz TZHWRBVNGUEGFS-GASCZTMLSA-N 1 1 340.383 0.133 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000852434206 589496147 /nfs/dbraw/zinc/49/61/47/589496147.db2.gz LLISXADBLKEYGG-CABCVRRESA-N 1 1 331.372 0.824 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CCCn2nccc21 ZINC000853267688 589539395 /nfs/dbraw/zinc/53/93/95/589539395.db2.gz YMRMKBTWNFEQKC-UHFFFAOYSA-N 1 1 336.465 0.567 20 30 ECEDMO CCN(C(=O)NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@@H+](CC)C1 ZINC000853713046 589555937 /nfs/dbraw/zinc/55/59/37/589555937.db2.gz NDXPUBIUFWEQCU-JFVSRZABSA-N 1 1 349.435 0.639 20 30 ECEDMO C#CCCN(CCOC)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000853764880 589557803 /nfs/dbraw/zinc/55/78/03/589557803.db2.gz RINJPEUODJHWDI-OAHLLOKOSA-N 1 1 338.452 0.255 20 30 ECEDMO Cn1nccc1[C@H](O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000856803175 589676748 /nfs/dbraw/zinc/67/67/48/589676748.db2.gz CJXGMKDIMPIPDN-MSOLQXFVSA-N 1 1 345.447 0.974 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860529163 589779592 /nfs/dbraw/zinc/77/95/92/589779592.db2.gz BLQGKQRQDZQVBC-UONOGXRCSA-N 1 1 328.434 0.299 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)/C=C\c2ccc(S(C)(=O)=O)o2)CC1 ZINC000859003329 589791908 /nfs/dbraw/zinc/79/19/08/589791908.db2.gz KBPGSULVDQQRPH-ALCCZGGFSA-N 1 1 336.413 0.864 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868235615 589883428 /nfs/dbraw/zinc/88/34/28/589883428.db2.gz BTJKZJCXVGYPGA-SJORKVTESA-N 1 1 327.432 0.570 20 30 ECEDMO COc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1C#N ZINC000873855309 590206234 /nfs/dbraw/zinc/20/62/34/590206234.db2.gz SGQSSKJWUTZVHE-BETUJISGSA-N 1 1 328.372 0.525 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)n(CCC#N)n1 ZINC000874096086 590220737 /nfs/dbraw/zinc/22/07/37/590220737.db2.gz BWNHLIVVXJUCDX-UHFFFAOYSA-N 1 1 346.435 0.986 20 30 ECEDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000874365762 590234902 /nfs/dbraw/zinc/23/49/02/590234902.db2.gz DFSKVIHPOPWTAE-STQMWFEESA-N 1 1 330.392 0.430 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000875456362 590303065 /nfs/dbraw/zinc/30/30/65/590303065.db2.gz CWZGGSGSSYFIHN-LSDHHAIUSA-N 1 1 335.448 0.664 20 30 ECEDMO COCCOC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879591377 590326582 /nfs/dbraw/zinc/32/65/82/590326582.db2.gz VDZCCLCRENXEIH-INIZCTEOSA-N 1 1 337.395 0.843 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879718246 590337213 /nfs/dbraw/zinc/33/72/13/590337213.db2.gz FANLXNMGSIKOFA-WBVHZDCISA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879718246 590337216 /nfs/dbraw/zinc/33/72/16/590337216.db2.gz FANLXNMGSIKOFA-WBVHZDCISA-N 1 1 342.399 0.866 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000875919643 590346359 /nfs/dbraw/zinc/34/63/59/590346359.db2.gz MUOLABGNSNKKII-IRXDYDNUSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000875919644 590346379 /nfs/dbraw/zinc/34/63/79/590346379.db2.gz MUOLABGNSNKKII-SJORKVTESA-N 1 1 336.480 0.836 20 30 ECEDMO N#Cc1cccc(CNC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1 ZINC000880069224 590364850 /nfs/dbraw/zinc/36/48/50/590364850.db2.gz ABKGFNVHIKZMFF-DLBZAZTESA-N 1 1 328.416 0.315 20 30 ECEDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C[C@@H]2C1 ZINC000880310004 590383162 /nfs/dbraw/zinc/38/31/62/590383162.db2.gz VPLMMYSFKUDTEW-KSZLIROESA-N 1 1 343.427 0.902 20 30 ECEDMO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000876512314 590384195 /nfs/dbraw/zinc/38/41/95/590384195.db2.gz LKAOTQGKZHSNHT-QWHCGFSZSA-N 1 1 328.844 0.127 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000876744433 590407999 /nfs/dbraw/zinc/40/79/99/590407999.db2.gz SPNZCNSGINFKRX-JZXOWHBKSA-N 1 1 340.427 0.724 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000876744433 590408001 /nfs/dbraw/zinc/40/80/01/590408001.db2.gz SPNZCNSGINFKRX-JZXOWHBKSA-N 1 1 340.427 0.724 20 30 ECEDMO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880581591 590408131 /nfs/dbraw/zinc/40/81/31/590408131.db2.gz FDIVPFYMGCZIIA-HZPDHXFCSA-N 1 1 329.400 0.948 20 30 ECEDMO N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880581591 590408133 /nfs/dbraw/zinc/40/81/33/590408133.db2.gz FDIVPFYMGCZIIA-HZPDHXFCSA-N 1 1 329.400 0.948 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876756529 590409652 /nfs/dbraw/zinc/40/96/52/590409652.db2.gz UGNDLONUKOLOAJ-DOTOQJQBSA-N 1 1 328.416 0.582 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876756531 590409796 /nfs/dbraw/zinc/40/97/96/590409796.db2.gz UGNDLONUKOLOAJ-RDJZCZTQSA-N 1 1 328.416 0.582 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCS(=O)(=O)C1 ZINC000876911118 590426082 /nfs/dbraw/zinc/42/60/82/590426082.db2.gz VIPXGPYEXRJJLM-WBMJQRKESA-N 1 1 347.440 0.638 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CC[N@H+]2CC)c1 ZINC000882767003 590582836 /nfs/dbraw/zinc/58/28/36/590582836.db2.gz XOQMFACCUSDSHR-CQSZACIVSA-N 1 1 337.445 0.975 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2CC)c1 ZINC000882767003 590582839 /nfs/dbraw/zinc/58/28/39/590582839.db2.gz XOQMFACCUSDSHR-CQSZACIVSA-N 1 1 337.445 0.975 20 30 ECEDMO C[N@H+]1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1(C)C ZINC000883375866 590614938 /nfs/dbraw/zinc/61/49/38/590614938.db2.gz AOWJOPOLWIIGEV-YPKPFQOOSA-N 1 1 335.408 0.248 20 30 ECEDMO C#CCC1(O)CCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000883460020 590619950 /nfs/dbraw/zinc/61/99/50/590619950.db2.gz NHRSKGFHGLUPMA-MRXNPFEDSA-N 1 1 336.480 0.430 20 30 ECEDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000883695454 590652169 /nfs/dbraw/zinc/65/21/69/590652169.db2.gz FEGQQUJNETWIQI-AWEZNQCLSA-N 1 1 329.404 0.715 20 30 ECEDMO CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885938222 590782765 /nfs/dbraw/zinc/78/27/65/590782765.db2.gz VOLPBBVXWOQUBB-CVEARBPZSA-N 1 1 336.480 0.964 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886205500 590812879 /nfs/dbraw/zinc/81/28/79/590812879.db2.gz OYDUYNAKKLEGAH-QVHKTLOISA-N 1 1 325.434 0.256 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886205500 590812881 /nfs/dbraw/zinc/81/28/81/590812881.db2.gz OYDUYNAKKLEGAH-QVHKTLOISA-N 1 1 325.434 0.256 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C1)CC2 ZINC000886208515 590814578 /nfs/dbraw/zinc/81/45/78/590814578.db2.gz LLLKGQNPBRGRLV-XJKCOSOUSA-N 1 1 348.428 0.151 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000884387642 590817947 /nfs/dbraw/zinc/81/79/47/590817947.db2.gz ZOBSIADLDCHPHZ-SJORKVTESA-N 1 1 345.443 0.818 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000884387642 590817950 /nfs/dbraw/zinc/81/79/50/590817950.db2.gz ZOBSIADLDCHPHZ-SJORKVTESA-N 1 1 345.443 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000884611599 590871205 /nfs/dbraw/zinc/87/12/05/590871205.db2.gz PNKKNIHXLFBSLP-ZDUSSCGKSA-N 1 1 346.391 0.731 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000884611599 590871208 /nfs/dbraw/zinc/87/12/08/590871208.db2.gz PNKKNIHXLFBSLP-ZDUSSCGKSA-N 1 1 346.391 0.731 20 30 ECEDMO C=CCC1(O)CC[NH+](CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC1 ZINC000886766522 590882349 /nfs/dbraw/zinc/88/23/49/590882349.db2.gz LKTRNNUMCWXLKJ-QGZVFWFLSA-N 1 1 345.443 0.993 20 30 ECEDMO CN1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+](C)CC1 ZINC000888992324 591035776 /nfs/dbraw/zinc/03/57/76/591035776.db2.gz GWVBGBWWZVVDAC-UHFFFAOYSA-N 1 1 330.432 0.837 20 30 ECEDMO Cc1c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cnn1CCC#N ZINC000889775276 591092337 /nfs/dbraw/zinc/09/23/37/591092337.db2.gz VCQGUBPZPSALJS-JKSUJKDBSA-N 1 1 331.420 0.776 20 30 ECEDMO C#CC[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890129373 591133562 /nfs/dbraw/zinc/13/35/62/591133562.db2.gz NJLFTDIJGACHJL-ROUUACIJSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(C(=O)N(C)OC)CC2)C1 ZINC000890364783 591151766 /nfs/dbraw/zinc/15/17/66/591151766.db2.gz ILAFVLHQQDHHGY-HNNXBMFYSA-N 1 1 336.436 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(C(=O)N(C)OC)CC2)C1 ZINC000890364783 591151769 /nfs/dbraw/zinc/15/17/69/591151769.db2.gz ILAFVLHQQDHHGY-HNNXBMFYSA-N 1 1 336.436 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)C1 ZINC000890364796 591151883 /nfs/dbraw/zinc/15/18/83/591151883.db2.gz IRLXXYRLRQQYAT-ZBFHGGJFSA-N 1 1 346.435 0.215 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)C1 ZINC000890364796 591151884 /nfs/dbraw/zinc/15/18/84/591151884.db2.gz IRLXXYRLRQQYAT-ZBFHGGJFSA-N 1 1 346.435 0.215 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000890364721 591152253 /nfs/dbraw/zinc/15/22/53/591152253.db2.gz HDQSISHXQOXDJX-QGZVFWFLSA-N 1 1 337.512 0.609 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000890370807 591153557 /nfs/dbraw/zinc/15/35/57/591153557.db2.gz GKKLLZWXYYAGBV-ZWKOTPCHSA-N 1 1 347.507 0.505 20 30 ECEDMO Cn1cnnc1C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)CC[C@@H]2C1 ZINC000946589431 611356573 /nfs/dbraw/zinc/35/65/73/611356573.db2.gz YXKASVMPPVRSJD-IYBDPMFKSA-N 1 1 327.432 0.899 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccn4nnnc34)CC[C@@H]2C1 ZINC000946608030 611362911 /nfs/dbraw/zinc/36/29/11/611362911.db2.gz SHXCVEJIHBLXPF-GASCZTMLSA-N 1 1 338.415 0.932 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000946699393 611422446 /nfs/dbraw/zinc/42/24/46/611422446.db2.gz OEROGLTZOWUWFU-SJORKVTESA-N 1 1 345.443 0.370 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000948099826 611426269 /nfs/dbraw/zinc/42/62/69/611426269.db2.gz ZTYNNMSVQZXIFJ-PXLMOHRFSA-N 1 1 346.431 0.116 20 30 ECEDMO Cc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC000930514332 611437892 /nfs/dbraw/zinc/43/78/92/611437892.db2.gz AYGVDGCZZPVPBA-BBRMVZONSA-N 1 1 344.415 0.318 20 30 ECEDMO Cc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000930514332 611437895 /nfs/dbraw/zinc/43/78/95/611437895.db2.gz AYGVDGCZZPVPBA-BBRMVZONSA-N 1 1 344.415 0.318 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CCn1cncn1 ZINC000947170334 611440671 /nfs/dbraw/zinc/44/06/71/611440671.db2.gz FNCFRILVEPYYHK-JSGCOSHPSA-N 1 1 327.392 0.761 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C(N)=O)CC[C@@H]3C2)c(F)c1 ZINC000946751983 611453120 /nfs/dbraw/zinc/45/31/20/611453120.db2.gz NCUUOUQCPJFAEV-OKILXGFUSA-N 1 1 344.390 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccco2)C[C@H]1C ZINC000947183702 611462219 /nfs/dbraw/zinc/46/22/19/611462219.db2.gz WQERESAYPBEROK-KFWWJZLASA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccco2)C[C@H]1C ZINC000947183702 611462220 /nfs/dbraw/zinc/46/22/20/611462220.db2.gz WQERESAYPBEROK-KFWWJZLASA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@H]([C@@H](O)c3cccnc3)C2=O)C1 ZINC000925315296 611467874 /nfs/dbraw/zinc/46/78/74/611467874.db2.gz BKXQWROKPYOLES-ZNMIVQPWSA-N 1 1 328.372 0.133 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@H]([C@@H](O)c3cccnc3)C2=O)C1 ZINC000925315296 611467870 /nfs/dbraw/zinc/46/78/70/611467870.db2.gz BKXQWROKPYOLES-ZNMIVQPWSA-N 1 1 328.372 0.133 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC000946775662 611469888 /nfs/dbraw/zinc/46/98/88/611469888.db2.gz NARIVCUXNQYTEW-RBSFLKMASA-N 1 1 337.464 0.882 20 30 ECEDMO CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000946778570 611471502 /nfs/dbraw/zinc/47/15/02/611471502.db2.gz UBFKSMCRNUFKFB-MGPQQGTHSA-N 1 1 336.436 0.220 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000948293086 611505787 /nfs/dbraw/zinc/50/57/87/611505787.db2.gz OGASGHZSVWDQSP-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC000947450064 611542428 /nfs/dbraw/zinc/54/24/28/611542428.db2.gz NJGXFBOHKRXADQ-HIFRSBDPSA-N 1 1 328.416 0.715 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C ZINC000947454561 611544450 /nfs/dbraw/zinc/54/44/50/611544450.db2.gz LYJDMIFGTHYNQH-PWSUYJOCSA-N 1 1 327.406 0.696 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C[C@@H]1C ZINC000947547892 611590907 /nfs/dbraw/zinc/59/09/07/611590907.db2.gz VFXLIEDIWHKXKQ-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCOCC2=O)CC1 ZINC000948442379 611599082 /nfs/dbraw/zinc/59/90/82/611599082.db2.gz NYARTVGVUPTUMB-AWEZNQCLSA-N 1 1 343.855 0.911 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@H]1C ZINC000947571450 611601868 /nfs/dbraw/zinc/60/18/68/611601868.db2.gz FELUIGAFNQMTBS-CHWSQXEVSA-N 1 1 327.388 0.547 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC#Cc1ccccc1 ZINC000947625461 611623985 /nfs/dbraw/zinc/62/39/85/611623985.db2.gz XCSMZJXXSHUPFV-HOCLYGCPSA-N 1 1 338.415 0.845 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000947628753 611625249 /nfs/dbraw/zinc/62/52/49/611625249.db2.gz WMBBZDQGAPDNBI-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947368850 608597984 /nfs/dbraw/zinc/59/79/84/608597984.db2.gz BJOBLVIOIADJFI-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937349741 608609333 /nfs/dbraw/zinc/60/93/33/608609333.db2.gz KPMYWLDSOPFBEB-DLBZAZTESA-N 1 1 347.459 0.568 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937349741 608609335 /nfs/dbraw/zinc/60/93/35/608609335.db2.gz KPMYWLDSOPFBEB-DLBZAZTESA-N 1 1 347.459 0.568 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)c3cnn(C)c3N)CC2)C1 ZINC000949348664 608647930 /nfs/dbraw/zinc/64/79/30/608647930.db2.gz IRCIULKVGOOGTL-UHFFFAOYSA-N 1 1 333.436 0.885 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(CC#N)CCO2 ZINC000949386253 608664459 /nfs/dbraw/zinc/66/44/59/608664459.db2.gz ZTFGRHPABDWYPM-INIZCTEOSA-N 1 1 330.432 0.301 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(CC#N)CCO2 ZINC000949386253 608664461 /nfs/dbraw/zinc/66/44/61/608664461.db2.gz ZTFGRHPABDWYPM-INIZCTEOSA-N 1 1 330.432 0.301 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937412159 608736171 /nfs/dbraw/zinc/73/61/71/608736171.db2.gz UPXDISSJKWKJEF-CABCVRRESA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc3ccc(OC)nn32)C[C@@H]1C ZINC000947457597 608748714 /nfs/dbraw/zinc/74/87/14/608748714.db2.gz BKPQFJHPIVHEFF-QWHCGFSZSA-N 1 1 327.388 0.954 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)[C@@H](C)C2)nn1 ZINC000947796412 608781875 /nfs/dbraw/zinc/78/18/75/608781875.db2.gz LUFHFNJCEHISHK-QWHCGFSZSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)[C@@H](C)C2)nn1 ZINC000947796412 608781879 /nfs/dbraw/zinc/78/18/79/608781879.db2.gz LUFHFNJCEHISHK-QWHCGFSZSA-N 1 1 334.424 0.183 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H](C)C2)c1 ZINC000947711427 611663210 /nfs/dbraw/zinc/66/32/10/611663210.db2.gz WBQSXUUDNNPXKU-GUYCJALGSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H](C)C2)c1 ZINC000947711427 611663214 /nfs/dbraw/zinc/66/32/14/611663214.db2.gz WBQSXUUDNNPXKU-GUYCJALGSA-N 1 1 340.427 0.924 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934256034 608804131 /nfs/dbraw/zinc/80/41/31/608804131.db2.gz ZEUBBSGYKVZBOV-XLMAVXFVSA-N 1 1 336.480 0.960 20 30 ECEDMO C#CCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C ZINC000928628686 608914954 /nfs/dbraw/zinc/91/49/54/608914954.db2.gz BOFVALOOMBQXCE-MRXNPFEDSA-N 1 1 335.448 0.570 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000947625011 608930857 /nfs/dbraw/zinc/93/08/57/608930857.db2.gz PNKNZZFESFIESX-GHMZBOCLSA-N 1 1 345.432 0.926 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000947625011 608930859 /nfs/dbraw/zinc/93/08/59/608930859.db2.gz PNKNZZFESFIESX-GHMZBOCLSA-N 1 1 345.432 0.926 20 30 ECEDMO C=CCCC[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000924559144 608937546 /nfs/dbraw/zinc/93/75/46/608937546.db2.gz GFSXSTJOCGRVRG-KGLIPLIRSA-N 1 1 336.436 0.851 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000948647864 611675570 /nfs/dbraw/zinc/67/55/70/611675570.db2.gz MGMCZKQXOHHPFW-AWEZNQCLSA-N 1 1 339.403 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC000937726152 609038925 /nfs/dbraw/zinc/03/89/25/609038925.db2.gz JDAGCVQLXRHWQU-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC000937726152 609038930 /nfs/dbraw/zinc/03/89/30/609038930.db2.gz JDAGCVQLXRHWQU-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1ccon1 ZINC000937260377 609087944 /nfs/dbraw/zinc/08/79/44/609087944.db2.gz JKTNQDHGANFAOU-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1ccon1 ZINC000937260377 609087947 /nfs/dbraw/zinc/08/79/47/609087947.db2.gz JKTNQDHGANFAOU-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC000936792384 609090865 /nfs/dbraw/zinc/09/08/65/609090865.db2.gz IDXSQKNXZFTLAK-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC000936792384 609090867 /nfs/dbraw/zinc/09/08/67/609090867.db2.gz IDXSQKNXZFTLAK-HIFRSBDPSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC000937800885 609091639 /nfs/dbraw/zinc/09/16/39/609091639.db2.gz RYARCWZAIHGTIO-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC000937800885 609091640 /nfs/dbraw/zinc/09/16/40/609091640.db2.gz RYARCWZAIHGTIO-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cncc(F)c2)C1 ZINC000937814170 609098142 /nfs/dbraw/zinc/09/81/42/609098142.db2.gz ATFPQRGGDRILKB-HOTGVXAUSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cncc(F)c2)C1 ZINC000937814170 609098145 /nfs/dbraw/zinc/09/81/45/609098145.db2.gz ATFPQRGGDRILKB-HOTGVXAUSA-N 1 1 344.390 0.649 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)[C@H](C)C2)nn1 ZINC000947792557 611692430 /nfs/dbraw/zinc/69/24/30/611692430.db2.gz OLRHEZHRDSAYCQ-CHWSQXEVSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)[C@H](C)C2)nn1 ZINC000947792557 611692433 /nfs/dbraw/zinc/69/24/33/611692433.db2.gz OLRHEZHRDSAYCQ-CHWSQXEVSA-N 1 1 344.423 0.376 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000938173914 609486427 /nfs/dbraw/zinc/48/64/27/609486427.db2.gz ZTKLFWGPCLGATR-YESZJQIVSA-N 1 1 346.475 0.285 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(C#CCO)c2)[C@H](C)C1 ZINC000901322261 609539392 /nfs/dbraw/zinc/53/93/92/609539392.db2.gz MYRWWSVBFQOUNC-OAHLLOKOSA-N 1 1 344.411 0.740 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(C#CCO)c2)[C@H](C)C1 ZINC000901322261 609539393 /nfs/dbraw/zinc/53/93/93/609539393.db2.gz MYRWWSVBFQOUNC-OAHLLOKOSA-N 1 1 344.411 0.740 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000919975193 609667241 /nfs/dbraw/zinc/66/72/41/609667241.db2.gz UFHZDWBCQGPAES-DZGCQCFKSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000919975193 609667243 /nfs/dbraw/zinc/66/72/43/609667243.db2.gz UFHZDWBCQGPAES-DZGCQCFKSA-N 1 1 336.461 0.779 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000919982586 609668744 /nfs/dbraw/zinc/66/87/44/609668744.db2.gz UAKCLFAZGDHFKC-NHYWBVRUSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919982586 609668745 /nfs/dbraw/zinc/66/87/45/609668745.db2.gz UAKCLFAZGDHFKC-NHYWBVRUSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)[C@H]1C[N@H+](C)CCN1C ZINC000919990280 609669085 /nfs/dbraw/zinc/66/90/85/609669085.db2.gz PKFPBBRKQODHNI-CZUORRHYSA-N 1 1 336.461 0.665 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000919990280 609669087 /nfs/dbraw/zinc/66/90/87/609669087.db2.gz PKFPBBRKQODHNI-CZUORRHYSA-N 1 1 336.461 0.665 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000920420782 609682000 /nfs/dbraw/zinc/68/20/00/609682000.db2.gz ATSRCKALHXDCKA-HUUCEWRRSA-N 1 1 325.457 0.582 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000947761926 609734366 /nfs/dbraw/zinc/73/43/66/609734366.db2.gz SHTVWKRDTOJYPZ-STQMWFEESA-N 1 1 334.420 0.243 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000938367230 609756801 /nfs/dbraw/zinc/75/68/01/609756801.db2.gz VXDDENNXHKRWNX-UARSRXHTSA-N 1 1 347.459 0.779 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1)C1CC[NH+](C)CC1 ZINC000910887098 609773627 /nfs/dbraw/zinc/77/36/27/609773627.db2.gz ZGNAXDYTOMJGCF-KRWDZBQOSA-N 1 1 344.459 0.015 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C[C@@H]1C ZINC000948031576 609775688 /nfs/dbraw/zinc/77/56/88/609775688.db2.gz MORWZZKYMBFUQX-LSDHHAIUSA-N 1 1 343.493 0.262 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C[C@@H]1C ZINC000948036210 609778848 /nfs/dbraw/zinc/77/88/48/609778848.db2.gz PEBMCKIEKYRFMT-UONOGXRCSA-N 1 1 326.404 0.659 20 30 ECEDMO C=C(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC000913661546 609808367 /nfs/dbraw/zinc/80/83/67/609808367.db2.gz NMFSAMBIACWCSB-ZIAGYGMSSA-N 1 1 340.420 0.886 20 30 ECEDMO C=C(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC000913661546 609808369 /nfs/dbraw/zinc/80/83/69/609808369.db2.gz NMFSAMBIACWCSB-ZIAGYGMSSA-N 1 1 340.420 0.886 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000938493332 609808466 /nfs/dbraw/zinc/80/84/66/609808466.db2.gz SGEHNJLVHLUXJF-JKSUJKDBSA-N 1 1 333.432 0.226 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000938493332 609808467 /nfs/dbraw/zinc/80/84/67/609808467.db2.gz SGEHNJLVHLUXJF-JKSUJKDBSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC000938522224 609839058 /nfs/dbraw/zinc/83/90/58/609839058.db2.gz PTKWNNQEGXYKEP-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC000938522224 609839059 /nfs/dbraw/zinc/83/90/59/609839059.db2.gz PTKWNNQEGXYKEP-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000938613018 609900318 /nfs/dbraw/zinc/90/03/18/609900318.db2.gz OBFPMXCHIIEALE-UHOFOFEASA-N 1 1 343.431 0.899 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000915542675 609915430 /nfs/dbraw/zinc/91/54/30/609915430.db2.gz NETUAFRNSMFCEW-MRXNPFEDSA-N 1 1 345.447 0.277 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)OC(C)(C)C)nn2)C1 ZINC000923598825 609962102 /nfs/dbraw/zinc/96/21/02/609962102.db2.gz OHISANVNJUAEOJ-CYBMUJFWSA-N 1 1 347.419 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)OC(C)(C)C)nn2)C1 ZINC000923598825 609962103 /nfs/dbraw/zinc/96/21/03/609962103.db2.gz OHISANVNJUAEOJ-CYBMUJFWSA-N 1 1 347.419 0.447 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2cnoc2)C1 ZINC000938755011 609973948 /nfs/dbraw/zinc/97/39/48/609973948.db2.gz SXHPHIMVTBCYDA-HOTGVXAUSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2cnoc2)C1 ZINC000938755011 609973951 /nfs/dbraw/zinc/97/39/51/609973951.db2.gz SXHPHIMVTBCYDA-HOTGVXAUSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccc[nH]2)C1 ZINC000938756326 609981799 /nfs/dbraw/zinc/98/17/99/609981799.db2.gz MXUWUBVEMSRJBE-ZBFHGGJFSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccc[nH]2)C1 ZINC000938756326 609981803 /nfs/dbraw/zinc/98/18/03/609981803.db2.gz MXUWUBVEMSRJBE-ZBFHGGJFSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccsn2)C1 ZINC000938756194 609982014 /nfs/dbraw/zinc/98/20/14/609982014.db2.gz JYGUHEHSUZYLBW-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccsn2)C1 ZINC000938756194 609982015 /nfs/dbraw/zinc/98/20/15/609982015.db2.gz JYGUHEHSUZYLBW-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000939761535 610119767 /nfs/dbraw/zinc/11/97/67/610119767.db2.gz BRXPMDKITWYODR-OAGGEKHMSA-N 1 1 346.431 0.842 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000939871189 610156959 /nfs/dbraw/zinc/15/69/59/610156959.db2.gz HVHSNPTUZVYIRY-IAGOWNOFSA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000939871189 610156960 /nfs/dbraw/zinc/15/69/60/610156960.db2.gz HVHSNPTUZVYIRY-IAGOWNOFSA-N 1 1 341.411 0.329 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000940100840 610213177 /nfs/dbraw/zinc/21/31/77/610213177.db2.gz PERFBSIIGWLEFH-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)C1 ZINC000940295411 610261426 /nfs/dbraw/zinc/26/14/26/610261426.db2.gz KTMVDXMQOKPGMC-XJKCOSOUSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=COCCC2)CC1 ZINC000940476338 610291865 /nfs/dbraw/zinc/29/18/65/610291865.db2.gz LVOYXHDFYVJYIG-KRWDZBQOSA-N 1 1 345.443 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=COCCC2)CC1 ZINC000940476338 610291866 /nfs/dbraw/zinc/29/18/66/610291866.db2.gz LVOYXHDFYVJYIG-KRWDZBQOSA-N 1 1 345.443 0.839 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000940528703 610294350 /nfs/dbraw/zinc/29/43/50/610294350.db2.gz PQOGQGADLJLQMJ-DLBZAZTESA-N 1 1 325.412 0.950 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000940523498 610295891 /nfs/dbraw/zinc/29/58/91/610295891.db2.gz YNMQMZLKANZQSE-ZWKOTPCHSA-N 1 1 339.439 0.879 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)COc3cc(C)on3)CC2)C1 ZINC000941444434 610309255 /nfs/dbraw/zinc/30/92/55/610309255.db2.gz MFVWEEBQMLLEJB-UHFFFAOYSA-N 1 1 332.404 0.214 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnc4n[nH]nc4c3)CC2)C1 ZINC000941438484 610315683 /nfs/dbraw/zinc/31/56/83/610315683.db2.gz YUEHVXJITASASV-UHFFFAOYSA-N 1 1 341.419 0.371 20 30 ECEDMO C=CCOc1ccc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)cc1 ZINC000941462524 610321091 /nfs/dbraw/zinc/32/10/91/610321091.db2.gz CKFZLVSHJNZLGA-UHFFFAOYSA-N 1 1 345.443 0.686 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000940651769 610324150 /nfs/dbraw/zinc/32/41/50/610324150.db2.gz LUTPADQOEUXTEP-HIFRSBDPSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn4cccnc4n3)CC2)C1 ZINC000941474994 610331478 /nfs/dbraw/zinc/33/14/78/610331478.db2.gz JIMKSCTXLZCXRK-UHFFFAOYSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1 ZINC000941499101 610343927 /nfs/dbraw/zinc/34/39/27/610343927.db2.gz NJCRENMGTOILOM-MSOLQXFVSA-N 1 1 331.460 0.653 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N[C@@H](CC)C3)CC2)C1 ZINC000941499629 610344175 /nfs/dbraw/zinc/34/41/75/610344175.db2.gz XTYZDGCQKZTNIE-HOTGVXAUSA-N 1 1 346.475 0.143 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](OC)[C@H]3CCOC3)CC2)C1 ZINC000941501354 610345281 /nfs/dbraw/zinc/34/52/81/610345281.db2.gz APPRXTCNCITBFT-RDJZCZTQSA-N 1 1 337.464 0.442 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3ccccc3C(N)=O)CC2)C1 ZINC000941512312 610351850 /nfs/dbraw/zinc/35/18/50/610351850.db2.gz ALRZVUCFESIODN-UHFFFAOYSA-N 1 1 342.443 0.342 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940783243 610360143 /nfs/dbraw/zinc/36/01/43/610360143.db2.gz UZQLQESDVKSLQT-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3[C@H]3CCCO3)CC2)C1 ZINC000941528848 610360927 /nfs/dbraw/zinc/36/09/27/610360927.db2.gz BYGBIIIQLPHQGG-MRXNPFEDSA-N 1 1 345.447 0.889 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1 ZINC000942259843 610364702 /nfs/dbraw/zinc/36/47/02/610364702.db2.gz UPJWISGYVGORFN-NEPJUHHUSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)C1 ZINC000941579004 610391699 /nfs/dbraw/zinc/39/16/99/610391699.db2.gz ZERYWQQCRNPOGD-UHFFFAOYSA-N 1 1 329.448 0.998 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000940842243 610396062 /nfs/dbraw/zinc/39/60/62/610396062.db2.gz BCUDAXXQUVPWGU-LBPRGKRZSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940847374 610398341 /nfs/dbraw/zinc/39/83/41/610398341.db2.gz WKTJIMBLXXMGOY-STQMWFEESA-N 1 1 331.420 0.396 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3nc4ncccn4n3)CC2)C1 ZINC000941609890 610407018 /nfs/dbraw/zinc/40/70/18/610407018.db2.gz ZSCBRBYKEDIUEF-UHFFFAOYSA-N 1 1 341.419 0.142 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC000942369871 610418548 /nfs/dbraw/zinc/41/85/48/610418548.db2.gz BQKUJAAUSFWPOX-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC000941633011 610419293 /nfs/dbraw/zinc/41/92/93/610419293.db2.gz ZKECYNKDZFGDTG-HNNXBMFYSA-N 1 1 341.459 0.366 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3c(C)nn(C)c3F)CC2)C1 ZINC000941654673 610429777 /nfs/dbraw/zinc/42/97/77/610429777.db2.gz LKIMFYLFZQKBLJ-UHFFFAOYSA-N 1 1 335.427 0.886 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3csc(C)n3)CC2)C1 ZINC000941660725 610433913 /nfs/dbraw/zinc/43/39/13/610433913.db2.gz WQQGZURPJNECEH-UHFFFAOYSA-N 1 1 332.473 0.846 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C(C)(C)C1 ZINC000940925051 610442773 /nfs/dbraw/zinc/44/27/73/610442773.db2.gz CUTQWZOTDWNBKA-CQSZACIVSA-N 1 1 341.415 0.346 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3nnnc3c2)C(C)(C)C1 ZINC000940944733 610455832 /nfs/dbraw/zinc/45/58/32/610455832.db2.gz SQZAUMAMMICKRV-AWEZNQCLSA-N 1 1 326.404 0.978 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C#CC3CC3)C1)C2 ZINC000942433607 610458175 /nfs/dbraw/zinc/45/81/75/610458175.db2.gz BNIYVWZPOSTQLZ-JKSUJKDBSA-N 1 1 340.427 0.884 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc(COC)s3)CC2)C1 ZINC000941690296 610465492 /nfs/dbraw/zinc/46/54/92/610465492.db2.gz IKYMDICIPSDGHI-UHFFFAOYSA-N 1 1 336.461 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H](OC)C1 ZINC000940964500 610469080 /nfs/dbraw/zinc/46/90/80/610469080.db2.gz ROXAIUQKEWAGRI-OWCLPIDISA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H](OC)C1 ZINC000940964500 610469083 /nfs/dbraw/zinc/46/90/83/610469083.db2.gz ROXAIUQKEWAGRI-OWCLPIDISA-N 1 1 333.432 0.226 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)C(N)=O ZINC000940996966 610476398 /nfs/dbraw/zinc/47/63/98/610476398.db2.gz LGMGUAYBJADTEM-AWEZNQCLSA-N 1 1 332.379 0.899 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)C(N)=O ZINC000940996966 610476401 /nfs/dbraw/zinc/47/64/01/610476401.db2.gz LGMGUAYBJADTEM-AWEZNQCLSA-N 1 1 332.379 0.899 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](C)C1 ZINC000942523407 610498947 /nfs/dbraw/zinc/49/89/47/610498947.db2.gz PWULRIWKYYPDDD-JSGCOSHPSA-N 1 1 326.404 0.827 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](C)C1 ZINC000942529439 610500759 /nfs/dbraw/zinc/50/07/59/610500759.db2.gz KKMQQUMCRCBUJC-JSGCOSHPSA-N 1 1 327.392 0.684 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](C)C1 ZINC000942548609 610508462 /nfs/dbraw/zinc/50/84/62/610508462.db2.gz VPOKKERZQQWNAK-WCQYABFASA-N 1 1 342.407 0.157 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC000942592105 610526781 /nfs/dbraw/zinc/52/67/81/610526781.db2.gz SOQZKHIIAMBETL-SMDDNHRTSA-N 1 1 330.388 0.379 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000941085391 610528669 /nfs/dbraw/zinc/52/86/69/610528669.db2.gz OKLPVMDVBVRBLA-UONOGXRCSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)CC2(C)C)nn1 ZINC000941085379 610528901 /nfs/dbraw/zinc/52/89/01/610528901.db2.gz OBJVMTZJEILFEA-CYBMUJFWSA-N 1 1 334.424 0.040 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)CC2(C)C)nn1 ZINC000941085379 610528903 /nfs/dbraw/zinc/52/89/03/610528903.db2.gz OBJVMTZJEILFEA-CYBMUJFWSA-N 1 1 334.424 0.040 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)CC2(C)C)nn1 ZINC000941085641 610529559 /nfs/dbraw/zinc/52/95/59/610529559.db2.gz SAKUCYAQUOLVFR-AWEZNQCLSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)CC2(C)C)nn1 ZINC000941085641 610529562 /nfs/dbraw/zinc/52/95/62/610529562.db2.gz SAKUCYAQUOLVFR-AWEZNQCLSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C(C)(C)C1 ZINC000941094121 610543604 /nfs/dbraw/zinc/54/36/04/610543604.db2.gz YFNCUWKKOMOBGQ-CYBMUJFWSA-N 1 1 327.388 0.898 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnon3)C(C)(C)C2)C1=O ZINC000941112609 610557124 /nfs/dbraw/zinc/55/71/24/610557124.db2.gz FFBBXUBNVPUKQZ-ZIAGYGMSSA-N 1 1 347.419 0.687 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000941134537 610558731 /nfs/dbraw/zinc/55/87/31/610558731.db2.gz YEEHTHAYSQGBTL-HOCLYGCPSA-N 1 1 345.447 0.778 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000941161464 610569829 /nfs/dbraw/zinc/56/98/29/610569829.db2.gz PEMGDUSBASOAAS-SNVBAGLBSA-N 1 1 336.392 0.913 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000941148328 610573487 /nfs/dbraw/zinc/57/34/87/610573487.db2.gz OKQUHWXNNLFVMK-CYBMUJFWSA-N 1 1 334.420 0.168 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC000947899233 610587492 /nfs/dbraw/zinc/58/74/92/610587492.db2.gz HPIAKVKUNZRVNH-VXGBXAGGSA-N 1 1 342.827 0.650 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[C@H]1C ZINC000947899233 610587495 /nfs/dbraw/zinc/58/74/95/610587495.db2.gz HPIAKVKUNZRVNH-VXGBXAGGSA-N 1 1 342.827 0.650 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nccc(C)n2)C1 ZINC000941237759 610621450 /nfs/dbraw/zinc/62/14/50/610621450.db2.gz JBBHLJFNEZQHRJ-CABCVRRESA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nccc(C)n2)C1 ZINC000941237759 610621452 /nfs/dbraw/zinc/62/14/52/610621452.db2.gz JBBHLJFNEZQHRJ-CABCVRRESA-N 1 1 341.415 0.213 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H](C)C1 ZINC000942130439 610665830 /nfs/dbraw/zinc/66/58/30/610665830.db2.gz NSAZSUNVUHGQLH-AAEUAGOBSA-N 1 1 329.828 0.424 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H](C)C1 ZINC000942130439 610665832 /nfs/dbraw/zinc/66/58/32/610665832.db2.gz NSAZSUNVUHGQLH-AAEUAGOBSA-N 1 1 329.828 0.424 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2nc3ncc(C)cn3n2)[C@H](C)C1 ZINC000942163050 610681759 /nfs/dbraw/zinc/68/17/59/610681759.db2.gz FOOYSLGAGSJGOH-KGLIPLIRSA-N 1 1 326.404 0.896 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@H](C)C1 ZINC000942219774 610700526 /nfs/dbraw/zinc/70/05/26/610700526.db2.gz NQXIFFBGHXUOKV-NVXWUHKLSA-N 1 1 345.443 0.958 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000941398470 610718303 /nfs/dbraw/zinc/71/83/03/610718303.db2.gz UONBDIPZNVSHBT-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)CC2)C1 ZINC000941410211 610723231 /nfs/dbraw/zinc/72/32/31/610723231.db2.gz BYBJENLPGHRZDK-MRXNPFEDSA-N 1 1 329.448 0.844 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000941392431 610723311 /nfs/dbraw/zinc/72/33/11/610723311.db2.gz BOQQEBMWYVRQLJ-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000943234335 610760095 /nfs/dbraw/zinc/76/00/95/610760095.db2.gz SBNCPYHBMSIPIU-ZFWWWQNUSA-N 1 1 326.462 0.661 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](C)C1 ZINC000944155336 610769976 /nfs/dbraw/zinc/76/99/76/610769976.db2.gz MZMAXBCFRDDJMD-RYUDHWBXSA-N 1 1 330.392 0.434 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C[C@@H]2C)nc1 ZINC000944192868 610775867 /nfs/dbraw/zinc/77/58/67/610775867.db2.gz OBJYPXILFUARLZ-DZGCQCFKSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCS(C)(=O)=O)C[C@@H]2C)nc1 ZINC000944192868 610775869 /nfs/dbraw/zinc/77/58/69/610775869.db2.gz OBJYPXILFUARLZ-DZGCQCFKSA-N 1 1 349.456 0.548 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC000943309685 610793117 /nfs/dbraw/zinc/79/31/17/610793117.db2.gz SIMKXHSKFAWTRT-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC000943309685 610793118 /nfs/dbraw/zinc/79/31/18/610793118.db2.gz SIMKXHSKFAWTRT-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](C)C1 ZINC000944809624 610794846 /nfs/dbraw/zinc/79/48/46/610794846.db2.gz FKFNHQHUWNZTBW-JQWIXIFHSA-N 1 1 327.812 0.715 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](C)C1 ZINC000944809624 610794847 /nfs/dbraw/zinc/79/48/47/610794847.db2.gz FKFNHQHUWNZTBW-JQWIXIFHSA-N 1 1 327.812 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000943335816 610807522 /nfs/dbraw/zinc/80/75/22/610807522.db2.gz IGVSRDZXNZLTNT-YESZJQIVSA-N 1 1 349.475 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000943335816 610807523 /nfs/dbraw/zinc/80/75/23/610807523.db2.gz IGVSRDZXNZLTNT-YESZJQIVSA-N 1 1 349.475 0.598 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000944909907 610835820 /nfs/dbraw/zinc/83/58/20/610835820.db2.gz WYMOAVUWMDQJSQ-BXKDBHETSA-N 1 1 340.811 0.679 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000944909907 610835822 /nfs/dbraw/zinc/83/58/22/610835822.db2.gz WYMOAVUWMDQJSQ-BXKDBHETSA-N 1 1 340.811 0.679 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 ZINC000943672955 610936540 /nfs/dbraw/zinc/93/65/40/610936540.db2.gz ATPNLLLLGKBJEK-ONGXEEELSA-N 1 1 328.800 0.117 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 ZINC000943672955 610936543 /nfs/dbraw/zinc/93/65/43/610936543.db2.gz ATPNLLLLGKBJEK-ONGXEEELSA-N 1 1 328.800 0.117 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](C)C1 ZINC000945222846 610963106 /nfs/dbraw/zinc/96/31/06/610963106.db2.gz NRWJAVGWAUUSMA-ZYHUDNBSSA-N 1 1 326.828 0.917 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](C)C1 ZINC000945222846 610963107 /nfs/dbraw/zinc/96/31/07/610963107.db2.gz NRWJAVGWAUUSMA-ZYHUDNBSSA-N 1 1 326.828 0.917 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@H](C)C1 ZINC000943761172 610978813 /nfs/dbraw/zinc/97/88/13/610978813.db2.gz IMAYFSPQZUHXHZ-BXUZGUMPSA-N 1 1 332.404 0.589 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944594627 611002118 /nfs/dbraw/zinc/00/21/18/611002118.db2.gz JJOVBLFGHXJLBK-IRXDYDNUSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000944615652 611027698 /nfs/dbraw/zinc/02/76/98/611027698.db2.gz JDXLBOSVZQEOCX-RBSFLKMASA-N 1 1 337.464 0.882 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCO1 ZINC000944645803 611054965 /nfs/dbraw/zinc/05/49/65/611054965.db2.gz ZGDGFOKYPPGHCT-FZKCQIBNSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCO1 ZINC000944645803 611054969 /nfs/dbraw/zinc/05/49/69/611054969.db2.gz ZGDGFOKYPPGHCT-FZKCQIBNSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cccnc1 ZINC000944097453 611130281 /nfs/dbraw/zinc/13/02/81/611130281.db2.gz DKKOFLUEMVQUIU-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cccnc1 ZINC000944097453 611130282 /nfs/dbraw/zinc/13/02/82/611130282.db2.gz DKKOFLUEMVQUIU-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1nonc1C ZINC000944097801 611130704 /nfs/dbraw/zinc/13/07/04/611130704.db2.gz LTGXMJULPSFOCV-KGLIPLIRSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1nonc1C ZINC000944097801 611130706 /nfs/dbraw/zinc/13/07/06/611130706.db2.gz LTGXMJULPSFOCV-KGLIPLIRSA-N 1 1 345.403 0.196 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)CC[C@@H]2C1 ZINC000946813234 611170195 /nfs/dbraw/zinc/17/01/95/611170195.db2.gz OKBXBACNERWPQT-IYBDPMFKSA-N 1 1 344.463 0.990 20 30 ECEDMO C=CCn1cc(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)nn1 ZINC000922956013 611186733 /nfs/dbraw/zinc/18/67/33/611186733.db2.gz UBXKLULRAQUNAY-KGLIPLIRSA-N 1 1 336.465 0.843 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC[C@@H]2C1 ZINC000946884944 611225161 /nfs/dbraw/zinc/22/51/61/611225161.db2.gz QMLMGFVWECBPTQ-ZNMIVQPWSA-N 1 1 348.447 0.721 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)CC[C@@H]2C1 ZINC000946899597 611241554 /nfs/dbraw/zinc/24/15/54/611241554.db2.gz LBKRNFGYWZKCLP-GASCZTMLSA-N 1 1 340.427 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nnn(-c3ccn(C)n3)c2C)C1 ZINC000923559537 611261440 /nfs/dbraw/zinc/26/14/40/611261440.db2.gz NMYWHGROBIJBTN-CYBMUJFWSA-N 1 1 327.392 0.137 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nnn(-c3ccn(C)n3)c2C)C1 ZINC000923559537 611261441 /nfs/dbraw/zinc/26/14/41/611261441.db2.gz NMYWHGROBIJBTN-CYBMUJFWSA-N 1 1 327.392 0.137 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2cncc(C(=O)NC)c2)C1 ZINC000923574041 611267240 /nfs/dbraw/zinc/26/72/40/611267240.db2.gz CSEXZXPLXCESJK-MWWKQMNYSA-N 1 1 326.400 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nc(-c3ccccc3)oc2=O)C1 ZINC000923591587 611271130 /nfs/dbraw/zinc/27/11/30/611271130.db2.gz HICHYYMHXWJAMC-OAHLLOKOSA-N 1 1 340.383 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc(-c3ccccc3)oc2=O)C1 ZINC000923591587 611271133 /nfs/dbraw/zinc/27/11/33/611271133.db2.gz HICHYYMHXWJAMC-OAHLLOKOSA-N 1 1 340.383 0.717 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000946496340 611285193 /nfs/dbraw/zinc/28/51/93/611285193.db2.gz UFYJZSHGBQJIOG-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000834536794 611291470 /nfs/dbraw/zinc/29/14/70/611291470.db2.gz UKQIYLRXHJUWQA-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000946517275 611296351 /nfs/dbraw/zinc/29/63/51/611296351.db2.gz BBSXVHULRCVXDV-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@H+]1C ZINC000946518016 611297033 /nfs/dbraw/zinc/29/70/33/611297033.db2.gz PRGMEQHOOFQWPD-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO CCOC(=O)C(C)(C)ON=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000835005127 611306094 /nfs/dbraw/zinc/30/60/94/611306094.db2.gz PNBNMFXTOKHYBR-UHFFFAOYSA-N 1 1 335.408 0.921 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)COC)CC2)cc1 ZINC000929276679 611342274 /nfs/dbraw/zinc/34/22/74/611342274.db2.gz NDAYOSDIMGTBQV-UHFFFAOYSA-N 1 1 329.400 0.787 20 30 ECEDMO C#CCC1(O)CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000922187339 611342379 /nfs/dbraw/zinc/34/23/79/611342379.db2.gz OQFVBBQZZSKUGG-HNNXBMFYSA-N 1 1 336.432 0.638 20 30 ECEDMO C#CCN(C(=O)NCC1(S(C)(=O)=O)CC1)C1CC[NH+](C)CC1 ZINC000922280813 611345348 /nfs/dbraw/zinc/34/53/48/611345348.db2.gz NZXRNVYJGVXAFG-UHFFFAOYSA-N 1 1 327.450 0.303 20 30 ECEDMO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922341834 611347384 /nfs/dbraw/zinc/34/73/84/611347384.db2.gz UXWDULYRNVSJCW-QGZVFWFLSA-N 1 1 338.496 0.407 20 30 ECEDMO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000922341834 611347385 /nfs/dbraw/zinc/34/73/85/611347385.db2.gz UXWDULYRNVSJCW-QGZVFWFLSA-N 1 1 338.496 0.407 20 30 ECEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC(CN2CCNC2=O)CC1)C1CC1 ZINC000933590185 611734793 /nfs/dbraw/zinc/73/47/93/611734793.db2.gz JVVAPRQHDONLGZ-QGZVFWFLSA-N 1 1 333.436 0.532 20 30 ECEDMO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)NCCCN1CCCC1=O ZINC000933653786 611739080 /nfs/dbraw/zinc/73/90/80/611739080.db2.gz JRLCMJKBNDIBTN-UHFFFAOYSA-N 1 1 349.431 0.453 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000933722993 611744133 /nfs/dbraw/zinc/74/41/33/611744133.db2.gz CBJPGJKRTOJQQE-OKILXGFUSA-N 1 1 333.413 0.863 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2c3ccccc3CCN2CC#N)C1 ZINC000948987445 611788103 /nfs/dbraw/zinc/78/81/03/611788103.db2.gz YDSLZNURLBQUBZ-MSOLQXFVSA-N 1 1 342.443 0.946 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2c3ccccc3CCN2CC#N)C1 ZINC000948987445 611788106 /nfs/dbraw/zinc/78/81/06/611788106.db2.gz YDSLZNURLBQUBZ-MSOLQXFVSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(C)nn1 ZINC000949866870 611789954 /nfs/dbraw/zinc/78/99/54/611789954.db2.gz JNPITZMTWSWIJR-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(C)nn1 ZINC000949866870 611789956 /nfs/dbraw/zinc/78/99/56/611789956.db2.gz JNPITZMTWSWIJR-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929877399 611803293 /nfs/dbraw/zinc/80/32/93/611803293.db2.gz JBVGYUOKIJNTPL-AWEZNQCLSA-N 1 1 332.404 0.822 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnccn2)C1 ZINC000950645054 611814729 /nfs/dbraw/zinc/81/47/29/611814729.db2.gz GMPIHAQTQQQOFQ-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnccn2)C1 ZINC000950645054 611814731 /nfs/dbraw/zinc/81/47/31/611814731.db2.gz GMPIHAQTQQQOFQ-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)Cn1nccn1)CCO2 ZINC000949105096 611855940 /nfs/dbraw/zinc/85/59/40/611855940.db2.gz OKUCAEPOVWQHEV-UHFFFAOYSA-N 1 1 339.827 0.724 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)[C@@H]2CCOC2)CC1 ZINC000949104792 611855985 /nfs/dbraw/zinc/85/59/85/611855985.db2.gz GZDQSIZDWMKXDD-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)[C@@H]2CCOC2)CC1 ZINC000949104792 611855987 /nfs/dbraw/zinc/85/59/87/611855987.db2.gz GZDQSIZDWMKXDD-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)c2ccn[nH]2)CC1 ZINC000949104706 611856124 /nfs/dbraw/zinc/85/61/24/611856124.db2.gz DUKQHSWAYRRSSA-INIZCTEOSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)c2ccn[nH]2)CC1 ZINC000949104706 611856126 /nfs/dbraw/zinc/85/61/26/611856126.db2.gz DUKQHSWAYRRSSA-INIZCTEOSA-N 1 1 343.431 0.476 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)nc1 ZINC000950074355 611857973 /nfs/dbraw/zinc/85/79/73/611857973.db2.gz OBABETGKNNIFDO-LSDHHAIUSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1snnc1C ZINC000950752813 611888711 /nfs/dbraw/zinc/88/87/11/611888711.db2.gz DOJZKVOIBPWKFD-STQMWFEESA-N 1 1 347.444 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1snnc1C ZINC000950752813 611888714 /nfs/dbraw/zinc/88/87/14/611888714.db2.gz DOJZKVOIBPWKFD-STQMWFEESA-N 1 1 347.444 0.275 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1coc(CC)n1 ZINC000950754959 611890144 /nfs/dbraw/zinc/89/01/44/611890144.db2.gz AEJHQCDAHKCURT-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1coc(CC)n1 ZINC000950754959 611890146 /nfs/dbraw/zinc/89/01/46/611890146.db2.gz AEJHQCDAHKCURT-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cncnc1C ZINC000950754857 611890152 /nfs/dbraw/zinc/89/01/52/611890152.db2.gz ZQYPVMMLUPZGOV-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cncnc1C ZINC000950754857 611890154 /nfs/dbraw/zinc/89/01/54/611890154.db2.gz ZQYPVMMLUPZGOV-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(CC)n[nH]1 ZINC000950754579 611890411 /nfs/dbraw/zinc/89/04/11/611890411.db2.gz WKVHSVLHXWCCOD-HOCLYGCPSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(CC)n[nH]1 ZINC000950754579 611890412 /nfs/dbraw/zinc/89/04/12/611890412.db2.gz WKVHSVLHXWCCOD-HOCLYGCPSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000950755043 611890744 /nfs/dbraw/zinc/89/07/44/611890744.db2.gz CAUBUMQVIKWJHL-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC000950755200 611890800 /nfs/dbraw/zinc/89/08/00/611890800.db2.gz GMIAMKFKNUTOFA-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC1(O)CCC1 ZINC000950755056 611890942 /nfs/dbraw/zinc/89/09/42/611890942.db2.gz CCRXUJPUCSRUQL-GJZGRUSLSA-N 1 1 333.432 0.106 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC1(O)CCC1 ZINC000950755056 611890943 /nfs/dbraw/zinc/89/09/43/611890943.db2.gz CCRXUJPUCSRUQL-GJZGRUSLSA-N 1 1 333.432 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1(C2CC2)CC1 ZINC000950755686 611891170 /nfs/dbraw/zinc/89/11/70/611891170.db2.gz RJPFWFXTWJFJPP-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1(C2CC2)CC1 ZINC000950755686 611891173 /nfs/dbraw/zinc/89/11/73/611891173.db2.gz RJPFWFXTWJFJPP-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000950233840 611918737 /nfs/dbraw/zinc/91/87/37/611918737.db2.gz HWMDRGKBVIKXSQ-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccn(C)c1 ZINC000949400859 611965580 /nfs/dbraw/zinc/96/55/80/611965580.db2.gz OZGRVYPFKMPXSY-HOTGVXAUSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccn(C)c1 ZINC000949400859 611965583 /nfs/dbraw/zinc/96/55/83/611965583.db2.gz OZGRVYPFKMPXSY-HOTGVXAUSA-N 1 1 328.416 0.453 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3COCCN3CC)CC2)C1 ZINC000949401926 611966109 /nfs/dbraw/zinc/96/61/09/611966109.db2.gz QMKSZDAQTSJAOH-KRWDZBQOSA-N 1 1 349.475 0.424 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3COCCN3CC)CC2)C1 ZINC000949401926 611966110 /nfs/dbraw/zinc/96/61/10/611966110.db2.gz QMKSZDAQTSJAOH-KRWDZBQOSA-N 1 1 349.475 0.424 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000950317587 611968406 /nfs/dbraw/zinc/96/84/06/611968406.db2.gz TUXANJLZNHTGRB-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)C1 ZINC000949429913 611976962 /nfs/dbraw/zinc/97/69/62/611976962.db2.gz INDGEJIQUYFHNE-CABCVRRESA-N 1 1 333.432 0.215 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 ZINC000949471235 611991859 /nfs/dbraw/zinc/99/18/59/611991859.db2.gz UTMCCTCLJATRMO-KRWDZBQOSA-N 1 1 335.448 0.782 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949485380 611999839 /nfs/dbraw/zinc/99/98/39/611999839.db2.gz DZGWQJXYNTUMLC-CABCVRRESA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498719 612008581 /nfs/dbraw/zinc/00/85/81/612008581.db2.gz TVLTZALYCBUCPK-WFASDCNBSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C[C@H](C)O)CCO3)nc1 ZINC000949509080 612014229 /nfs/dbraw/zinc/01/42/29/612014229.db2.gz KWVSSPQNRFEXHY-HNNXBMFYSA-N 1 1 343.427 0.751 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)c2cnc(C)[nH]2)CC1 ZINC000950428140 612014921 /nfs/dbraw/zinc/01/49/21/612014921.db2.gz HAPZYTYTXXRNSG-HNNXBMFYSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CCCN1CCOC2(CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000949512290 612016077 /nfs/dbraw/zinc/01/60/77/612016077.db2.gz VOWQAORFPZOBFV-UHFFFAOYSA-N 1 1 331.460 0.799 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC000949536758 612025411 /nfs/dbraw/zinc/02/54/11/612025411.db2.gz KNLPRKOATWWJLX-UHFFFAOYSA-N 1 1 345.447 0.937 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC000949536758 612025413 /nfs/dbraw/zinc/02/54/13/612025413.db2.gz KNLPRKOATWWJLX-UHFFFAOYSA-N 1 1 345.447 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1=CCOCC1 ZINC000949545287 612027980 /nfs/dbraw/zinc/02/79/80/612027980.db2.gz LYANDAIBXAXWCF-CVEARBPZSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1=CCOCC1 ZINC000949545287 612027982 /nfs/dbraw/zinc/02/79/82/612027982.db2.gz LYANDAIBXAXWCF-CVEARBPZSA-N 1 1 331.416 0.148 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)cc1 ZINC000949597210 612038518 /nfs/dbraw/zinc/03/85/18/612038518.db2.gz OABVQTPNEFUEHD-GOSISDBHSA-N 1 1 338.411 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cscn2)C1 ZINC000951223341 612087604 /nfs/dbraw/zinc/08/76/04/612087604.db2.gz FAPGVOUAWIDZCQ-HIFRSBDPSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cscn2)C1 ZINC000951223341 612087606 /nfs/dbraw/zinc/08/76/06/612087606.db2.gz FAPGVOUAWIDZCQ-HIFRSBDPSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cn2cccn2)C1 ZINC000951224044 612088827 /nfs/dbraw/zinc/08/88/27/612088827.db2.gz WZFBZZVHTSWFKA-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cn2cccn2)C1 ZINC000951224044 612088830 /nfs/dbraw/zinc/08/88/30/612088830.db2.gz WZFBZZVHTSWFKA-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000951957644 612152739 /nfs/dbraw/zinc/15/27/39/612152739.db2.gz GIENXIPBVPXFCM-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000951374022 612189681 /nfs/dbraw/zinc/18/96/81/612189681.db2.gz BRVMTRSXWZYHNO-AWEZNQCLSA-N 1 1 340.387 0.812 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000951410231 612210896 /nfs/dbraw/zinc/21/08/96/612210896.db2.gz ATXZKADIEPIAFC-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)CC[NH+]2CCN(CC)CC2)c1 ZINC000194675536 612255679 /nfs/dbraw/zinc/25/56/79/612255679.db2.gz LWBQFYDTUQEJTP-UHFFFAOYSA-N 1 1 342.443 0.750 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC000952176248 612264914 /nfs/dbraw/zinc/26/49/14/612264914.db2.gz CAIYSFOJQZLEOI-KFWWJZLASA-N 1 1 332.404 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC2(F)F)C1 ZINC000954583181 612420849 /nfs/dbraw/zinc/42/08/49/612420849.db2.gz XVXHLBMLOMIGND-KBPBESRZSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC2(F)F)C1 ZINC000954583181 612420854 /nfs/dbraw/zinc/42/08/54/612420854.db2.gz XVXHLBMLOMIGND-KBPBESRZSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2cc(C)on2)C1 ZINC000953914726 612438371 /nfs/dbraw/zinc/43/83/71/612438371.db2.gz BURVZSIZGWPZJJ-INIZCTEOSA-N 1 1 344.415 0.292 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2cc(C)on2)C1 ZINC000953914726 612438372 /nfs/dbraw/zinc/43/83/72/612438372.db2.gz BURVZSIZGWPZJJ-INIZCTEOSA-N 1 1 344.415 0.292 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2coc(C)n2)C1 ZINC000954630380 612467467 /nfs/dbraw/zinc/46/74/67/612467467.db2.gz DUDBNMVELUPYCH-HNNXBMFYSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2coc(C)n2)C1 ZINC000954630380 612467470 /nfs/dbraw/zinc/46/74/70/612467470.db2.gz DUDBNMVELUPYCH-HNNXBMFYSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2ccc(C)o2)C1 ZINC000954631198 612469252 /nfs/dbraw/zinc/46/92/52/612469252.db2.gz RXWMWFYCZGPCMU-KRWDZBQOSA-N 1 1 343.427 0.897 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2ccc(C)o2)C1 ZINC000954631198 612469256 /nfs/dbraw/zinc/46/92/56/612469256.db2.gz RXWMWFYCZGPCMU-KRWDZBQOSA-N 1 1 343.427 0.897 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCOC2)C1 ZINC000954631331 612470184 /nfs/dbraw/zinc/47/01/84/612470184.db2.gz WVRYAERAHBJHCU-ZBFHGGJFSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCOC2)C1 ZINC000954631331 612470189 /nfs/dbraw/zinc/47/01/89/612470189.db2.gz WVRYAERAHBJHCU-ZBFHGGJFSA-N 1 1 333.432 0.180 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000951710286 612490075 /nfs/dbraw/zinc/49/00/75/612490075.db2.gz HZKKXYWSKKQRKO-ULQDDVLXSA-N 1 1 348.447 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC000955356790 612490412 /nfs/dbraw/zinc/49/04/12/612490412.db2.gz WMWUYCJTLLCWLA-HNNXBMFYSA-N 1 1 343.431 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC000955356790 612490416 /nfs/dbraw/zinc/49/04/16/612490416.db2.gz WMWUYCJTLLCWLA-HNNXBMFYSA-N 1 1 343.431 0.407 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000955366990 612504080 /nfs/dbraw/zinc/50/40/80/612504080.db2.gz IDQUMGYBBXPMAZ-DIECFANBSA-N 1 1 349.475 0.977 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000953990482 612528201 /nfs/dbraw/zinc/52/82/01/612528201.db2.gz XPGUAEZFCBIQEA-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC000951774712 612594481 /nfs/dbraw/zinc/59/44/81/612594481.db2.gz REEDWCJBOPDRRK-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC000951774712 612594483 /nfs/dbraw/zinc/59/44/83/612594483.db2.gz REEDWCJBOPDRRK-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000956035514 612636471 /nfs/dbraw/zinc/63/64/71/612636471.db2.gz LMJGFLZBPXZDLS-VHDGCEQUSA-N 1 1 343.431 0.947 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954109525 612673225 /nfs/dbraw/zinc/67/32/25/612673225.db2.gz BBSYPYZSDYLRSY-UHFFFAOYSA-N 1 1 326.360 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ocnc1C ZINC000956073063 612676759 /nfs/dbraw/zinc/67/67/59/612676759.db2.gz MCMJVDNAQGNILL-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ocnc1C ZINC000956073063 612676760 /nfs/dbraw/zinc/67/67/60/612676760.db2.gz MCMJVDNAQGNILL-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2ccoc2)C1 ZINC000954122940 612686757 /nfs/dbraw/zinc/68/67/57/612686757.db2.gz NDEPFBOMXYOPAN-INIZCTEOSA-N 1 1 329.400 0.589 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2ccoc2)C1 ZINC000954122940 612686761 /nfs/dbraw/zinc/68/67/61/612686761.db2.gz NDEPFBOMXYOPAN-INIZCTEOSA-N 1 1 329.400 0.589 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)cn1 ZINC000954913053 612782284 /nfs/dbraw/zinc/78/22/84/612782284.db2.gz OVRIQNUVCWEXMH-UHFFFAOYSA-N 1 1 340.427 0.830 20 30 ECEDMO CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954280523 612820490 /nfs/dbraw/zinc/82/04/90/612820490.db2.gz IBVDMOAWRATNIM-CVEARBPZSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2[nH]cnc2CC)C1 ZINC000955005485 612847705 /nfs/dbraw/zinc/84/77/05/612847705.db2.gz LIKXXETZHVKZSB-HNNXBMFYSA-N 1 1 343.431 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2[nH]cnc2CC)C1 ZINC000955005485 612847708 /nfs/dbraw/zinc/84/77/08/612847708.db2.gz LIKXXETZHVKZSB-HNNXBMFYSA-N 1 1 343.431 0.353 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954319346 612848514 /nfs/dbraw/zinc/84/85/14/612848514.db2.gz IODPCGOIXXLDES-BPUTZDHNSA-N 1 1 335.448 0.589 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954328127 612859481 /nfs/dbraw/zinc/85/94/81/612859481.db2.gz ZCKRGGADNGIYMI-UHFFFAOYSA-N 1 1 326.360 0.374 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000954404778 612894127 /nfs/dbraw/zinc/89/41/27/612894127.db2.gz IDRTWYMUYATSBP-CVEARBPZSA-N 1 1 346.431 0.842 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000954416890 612898353 /nfs/dbraw/zinc/89/83/53/612898353.db2.gz QOTCPNSHHAHIGK-HZMVEIRTSA-N 1 1 349.475 0.977 20 30 ECEDMO N#CCc1cncc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737501 720746258 /nfs/dbraw/zinc/74/62/58/720746258.db2.gz BZJASCUEGFQOAF-LSDHHAIUSA-N 1 1 337.387 0.675 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C#N)cc3C#N)CC[C@H]2C1 ZINC001164855735 720845740 /nfs/dbraw/zinc/84/57/40/720845740.db2.gz UVIZYURHEADBDR-RDJZCZTQSA-N 1 1 341.415 0.998 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3ccon3)C2)C1=O ZINC000971936632 735414904 /nfs/dbraw/zinc/41/49/04/735414904.db2.gz HAYLZPDONSONLA-JKSUJKDBSA-N 1 1 346.431 0.927 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000972004289 735489119 /nfs/dbraw/zinc/48/91/19/735489119.db2.gz CUZPFOBMIGNQGD-CQSZACIVSA-N 1 1 327.392 0.780 20 30 ECEDMO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1)c1nnnn1C ZINC001024931576 738404211 /nfs/dbraw/zinc/40/42/11/738404211.db2.gz IDVQGRYWMQOZOM-BXUZGUMPSA-N 1 1 342.407 0.755 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001098561858 735542341 /nfs/dbraw/zinc/54/23/41/735542341.db2.gz OLHSDUAIIVYNKZ-MRXNPFEDSA-N 1 1 339.480 0.426 20 30 ECEDMO C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C)CN2CCOCC2)CC1 ZINC001098561858 735542342 /nfs/dbraw/zinc/54/23/42/735542342.db2.gz OLHSDUAIIVYNKZ-MRXNPFEDSA-N 1 1 339.480 0.426 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)CN2CCOCC2)CC1 ZINC001098561858 735542346 /nfs/dbraw/zinc/54/23/46/735542346.db2.gz OLHSDUAIIVYNKZ-MRXNPFEDSA-N 1 1 339.480 0.426 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[NH2+]Cc2nnnn2-c2ccccc2)[nH]1 ZINC001125813530 738444769 /nfs/dbraw/zinc/44/47/69/738444769.db2.gz DENLNICRPOMXPE-UHFFFAOYSA-N 1 1 336.359 0.382 20 30 ECEDMO Cc1nsc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001104538150 738447177 /nfs/dbraw/zinc/44/71/77/738447177.db2.gz LFUCNDHPYHTMCA-GXFFZTMASA-N 1 1 337.449 0.913 20 30 ECEDMO Cc1nsc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001104538150 738447179 /nfs/dbraw/zinc/44/71/79/738447179.db2.gz LFUCNDHPYHTMCA-GXFFZTMASA-N 1 1 337.449 0.913 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)c2[nH]nnc2C)C1=O ZINC001025037034 738521245 /nfs/dbraw/zinc/52/12/45/738521245.db2.gz URUBBSKZXPDWMT-ZIAGYGMSSA-N 1 1 346.435 0.484 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)c1cc(Cl)c(=O)[nH]n1 ZINC001100388158 731520390 /nfs/dbraw/zinc/52/03/90/731520390.db2.gz FAOSVUUYHLQHLM-LBPRGKRZSA-N 1 1 337.811 0.486 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)c1cc(Cl)c(=O)[nH]n1 ZINC001100388158 731520395 /nfs/dbraw/zinc/52/03/95/731520395.db2.gz FAOSVUUYHLQHLM-LBPRGKRZSA-N 1 1 337.811 0.486 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)C3CCOCC3)C2)C1=O ZINC000969192374 731575005 /nfs/dbraw/zinc/57/50/05/731575005.db2.gz JZXDEYWWWISOON-CJNGLKHVSA-N 1 1 335.448 0.636 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 ZINC001125280396 731577209 /nfs/dbraw/zinc/57/72/09/731577209.db2.gz RIJCXCJNYVADRJ-UKRRQHHQSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CCC1(C(=O)NCC2CC([NH2+]Cc3cnon3)C2)CCOCC1 ZINC001100394799 731628092 /nfs/dbraw/zinc/62/80/92/731628092.db2.gz UQHSBFVXWSONSE-UHFFFAOYSA-N 1 1 332.404 0.874 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cnn(C)c3C)C2)C1=O ZINC000969314450 731704507 /nfs/dbraw/zinc/70/45/07/731704507.db2.gz XBZZWEOAYLQXOT-MLGOLLRUSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cncnc3C)C2)C1=O ZINC000969345682 731740558 /nfs/dbraw/zinc/74/05/58/731740558.db2.gz NBHMSLNVPNUDLH-MLGOLLRUSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC000969354261 731751991 /nfs/dbraw/zinc/75/19/91/731751991.db2.gz BGQHGJZVVLRQGV-CZUORRHYSA-N 1 1 345.447 0.566 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)[nH]1 ZINC001087351060 738535931 /nfs/dbraw/zinc/53/59/31/738535931.db2.gz LTNXWMZDHZVHIG-ZGFBFQLVSA-N 1 1 327.388 0.154 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973007206 738536795 /nfs/dbraw/zinc/53/67/95/738536795.db2.gz WAVHKIZAMKNWOM-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CC[C@H](CNc2cc(C)[nH+]c(CC)n2)C1 ZINC001098523561 731893275 /nfs/dbraw/zinc/89/32/75/731893275.db2.gz CLKKCEWEUNSMAS-CQSZACIVSA-N 1 1 343.431 0.747 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1 ZINC001069981602 790275275 /nfs/dbraw/zinc/27/52/75/790275275.db2.gz NIMFKZFQWRZFGM-KGLIPLIRSA-N 1 1 328.376 0.149 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1 ZINC001069981602 790275279 /nfs/dbraw/zinc/27/52/79/790275279.db2.gz NIMFKZFQWRZFGM-KGLIPLIRSA-N 1 1 328.376 0.149 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)C3=CCOCC3)C2)C1=O ZINC000969549622 731958217 /nfs/dbraw/zinc/95/82/17/731958217.db2.gz UUJXLIBQOPUOPA-XJKSGUPXSA-N 1 1 333.432 0.557 20 30 ECEDMO C[C@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000969594604 731992594 /nfs/dbraw/zinc/99/25/94/731992594.db2.gz MLUDORFWJYMNCZ-ZUZCIYMTSA-N 1 1 346.362 0.742 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973053360 738589378 /nfs/dbraw/zinc/58/93/78/738589378.db2.gz YLJWPUAQVVXHIW-AWEZNQCLSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973053360 738589382 /nfs/dbraw/zinc/58/93/82/738589382.db2.gz YLJWPUAQVVXHIW-AWEZNQCLSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC001098524903 732345907 /nfs/dbraw/zinc/34/59/07/732345907.db2.gz ZISKOPJLVLFKGA-CQSZACIVSA-N 1 1 329.404 0.493 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)COCCCOC)CC1 ZINC001098526365 732524848 /nfs/dbraw/zinc/52/48/48/732524848.db2.gz HXNVTLLVUIMWDR-UHFFFAOYSA-N 1 1 328.453 0.901 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)C1 ZINC000969963535 732568571 /nfs/dbraw/zinc/56/85/71/732568571.db2.gz KAXYJVXPTJTUAV-JONQDZQNSA-N 1 1 349.475 0.761 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001078082909 782275412 /nfs/dbraw/zinc/27/54/12/782275412.db2.gz ZPDOEMSSWAPKNR-ATZDWAIDSA-N 1 1 342.439 0.798 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC000970065902 732711020 /nfs/dbraw/zinc/71/10/20/732711020.db2.gz FXKHDAMKDNQKTQ-NSHDSACASA-N 1 1 328.372 0.486 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC001041827229 782283841 /nfs/dbraw/zinc/28/38/41/782283841.db2.gz LFRUKRKFKHENOJ-QGZVFWFLSA-N 1 1 330.388 0.869 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836128 782311341 /nfs/dbraw/zinc/31/13/41/782311341.db2.gz PHDVILQOIKSMTN-UKRRQHHQSA-N 1 1 327.450 0.179 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836463 782313604 /nfs/dbraw/zinc/31/36/04/782313604.db2.gz XDPAKKQFLRJOET-GOEBONIOSA-N 1 1 341.477 0.569 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@](C)(NC(C)=O)C2CC2)CC1 ZINC001098530894 733028003 /nfs/dbraw/zinc/02/80/03/733028003.db2.gz SJUKGDUHOCQLDQ-SFHVURJKSA-N 1 1 337.464 0.763 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2c3c(nn2C)CCC3)CC1 ZINC001098530856 733028372 /nfs/dbraw/zinc/02/83/72/733028372.db2.gz QOFDAGVKFUIWAR-UHFFFAOYSA-N 1 1 344.459 0.831 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125326893 733045904 /nfs/dbraw/zinc/04/59/04/733045904.db2.gz BSQXGTGZGDTNMO-DZGCQCFKSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1ccc(C)nn1 ZINC001125327448 733048035 /nfs/dbraw/zinc/04/80/35/733048035.db2.gz PASCNITURAJECR-HOTGVXAUSA-N 1 1 345.447 0.138 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1ccc(C)nn1 ZINC001125327448 733048039 /nfs/dbraw/zinc/04/80/39/733048039.db2.gz PASCNITURAJECR-HOTGVXAUSA-N 1 1 345.447 0.138 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC001098532991 733055921 /nfs/dbraw/zinc/05/59/21/733055921.db2.gz NOBJDCXRUUZRMK-OAHLLOKOSA-N 1 1 344.459 0.823 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC001041840230 782319568 /nfs/dbraw/zinc/31/95/68/782319568.db2.gz WJMZCOVVTCBVJL-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C)cn3)C2)nn1 ZINC000970203943 733197463 /nfs/dbraw/zinc/19/74/63/733197463.db2.gz KQNYDGCLTMJNKT-CYBMUJFWSA-N 1 1 327.392 0.567 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970265322 733274756 /nfs/dbraw/zinc/27/47/56/733274756.db2.gz PBQKHQMEPGUFTF-GUYCJALGSA-N 1 1 343.402 0.750 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC001041853911 782340322 /nfs/dbraw/zinc/34/03/22/782340322.db2.gz SVVQVOXBUHWJES-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970354251 733404283 /nfs/dbraw/zinc/40/42/83/733404283.db2.gz OWDVNBZAQXPEPX-BLLLJJGKSA-N 1 1 344.390 0.295 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccnc(-n4cncn4)c3)C2)C1 ZINC001041855696 782344345 /nfs/dbraw/zinc/34/43/45/782344345.db2.gz NAKDAWWJONAEQT-SFHVURJKSA-N 1 1 336.399 0.834 20 30 ECEDMO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970430647 733522107 /nfs/dbraw/zinc/52/21/07/733522107.db2.gz FEWIUMAVULAYAH-VQISRLSMSA-N 1 1 344.390 0.755 20 30 ECEDMO N#Cc1cc(C[NH2+][C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)ccc1F ZINC000970446298 733543915 /nfs/dbraw/zinc/54/39/15/733543915.db2.gz WOPPLXPXYYYPMC-CYBMUJFWSA-N 1 1 328.351 0.749 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccnnc3)C2)C1=O ZINC000970483744 733601010 /nfs/dbraw/zinc/60/10/10/733601010.db2.gz VRMICPXUVMPWHN-WFASDCNBSA-N 1 1 329.404 0.314 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(CC)n3C)C2)nc1 ZINC000970517849 733638026 /nfs/dbraw/zinc/63/80/26/733638026.db2.gz AJPOWYKLBVJIPT-CQSZACIVSA-N 1 1 338.415 0.758 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC000970561975 733676802 /nfs/dbraw/zinc/67/68/02/733676802.db2.gz DOGANQGHZZPOGS-SWLSCSKDSA-N 1 1 346.435 0.135 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC000970758231 733915671 /nfs/dbraw/zinc/91/56/71/733915671.db2.gz ZJBCFXMIRSQFLF-LLVKDONJSA-N 1 1 325.368 0.644 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(=O)NC)C1 ZINC000970759502 733919201 /nfs/dbraw/zinc/91/92/01/733919201.db2.gz GYAYWFRDDXNIIP-QWHCGFSZSA-N 1 1 344.415 0.278 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCCNC3=O)C2)cn1 ZINC000970767898 733925062 /nfs/dbraw/zinc/92/50/62/733925062.db2.gz XUATUDZSIMUZQT-BLLLJJGKSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC000970764082 733926371 /nfs/dbraw/zinc/92/63/71/733926371.db2.gz QMPJMNZCFCSRFS-DYVFJYSZSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC000970819470 733983097 /nfs/dbraw/zinc/98/30/97/733983097.db2.gz BUVACIQBIWTXDT-DOMZBBRYSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)C3=COCCO3)C2)C1=O ZINC000971017173 734182987 /nfs/dbraw/zinc/18/29/87/734182987.db2.gz DFFJDEZXQZAIJS-UONOGXRCSA-N 1 1 335.404 0.194 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001087135928 734244579 /nfs/dbraw/zinc/24/45/79/734244579.db2.gz FCGDZXINYIWCKM-DYEKYZERSA-N 1 1 331.424 0.884 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(c3ccc(C#N)cn3)CCO2)C1 ZINC001104321660 734296127 /nfs/dbraw/zinc/29/61/27/734296127.db2.gz LFSJDKVMZHOOCB-HOCLYGCPSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2Cc3cccnc3C2)CC1 ZINC001098547824 734307106 /nfs/dbraw/zinc/30/71/06/734307106.db2.gz JRXOWSQQPKJTKH-MRXNPFEDSA-N 1 1 327.428 0.715 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)CCO1 ZINC001104330652 734371343 /nfs/dbraw/zinc/37/13/43/734371343.db2.gz UGBPGRMSAKUPFL-CZUORRHYSA-N 1 1 346.431 0.707 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cnn(CC)c3)C2)C1=O ZINC000971225702 734375407 /nfs/dbraw/zinc/37/54/07/734375407.db2.gz CNJGNLVEYRPXLO-HZPDHXFCSA-N 1 1 345.447 0.836 20 30 ECEDMO C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025212813 738813398 /nfs/dbraw/zinc/81/33/98/738813398.db2.gz ZYIVOVJOYGBDCX-GJZGRUSLSA-N 1 1 326.462 0.900 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025212813 738813401 /nfs/dbraw/zinc/81/34/01/738813401.db2.gz ZYIVOVJOYGBDCX-GJZGRUSLSA-N 1 1 326.462 0.900 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC000971326491 734449290 /nfs/dbraw/zinc/44/92/90/734449290.db2.gz NRPCRUZDQPNAHZ-HZPDHXFCSA-N 1 1 345.447 0.580 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cnn(CCOC)c2)CC1 ZINC001098550486 734453001 /nfs/dbraw/zinc/45/30/01/734453001.db2.gz QBPXRLFALZWQFV-UHFFFAOYSA-N 1 1 348.447 0.452 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3ccn(C)c3)C2)C1=O ZINC000971339732 734457694 /nfs/dbraw/zinc/45/76/94/734457694.db2.gz HUIZIPDHQOHNMO-HZPDHXFCSA-N 1 1 330.432 0.958 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971373621 734484675 /nfs/dbraw/zinc/48/46/75/734484675.db2.gz IWWFIDWIVIRMCO-HNNXBMFYSA-N 1 1 340.387 0.588 20 30 ECEDMO CN1CCC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000971375579 734487757 /nfs/dbraw/zinc/48/77/57/734487757.db2.gz BPRYLDBUNGGFBS-CABCVRRESA-N 1 1 329.404 0.653 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3ccc(C#N)cn3)CCO2)C1 ZINC001104349451 734519257 /nfs/dbraw/zinc/51/92/57/734519257.db2.gz GQPNXLAGNQJOLD-GOEBONIOSA-N 1 1 343.431 0.616 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104350134 734523428 /nfs/dbraw/zinc/52/34/28/734523428.db2.gz PCLDCGCWFXVIKH-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000971567690 734759679 /nfs/dbraw/zinc/75/96/79/734759679.db2.gz LZOBLFCUGHLIHE-FVQBIDKESA-N 1 1 341.415 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2=C(C)OCCC2)C1 ZINC000971576253 734766222 /nfs/dbraw/zinc/76/62/22/734766222.db2.gz VWKOPTQFAIRGKU-RDJZCZTQSA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2=C(C)OCCC2)C1 ZINC000971576253 734766225 /nfs/dbraw/zinc/76/62/25/734766225.db2.gz VWKOPTQFAIRGKU-RDJZCZTQSA-N 1 1 345.443 0.886 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069987006 790281480 /nfs/dbraw/zinc/28/14/80/790281480.db2.gz NWPBKHXSLCIPNC-JKIFEVAISA-N 1 1 346.435 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cnsn2)C1 ZINC000971704757 734966100 /nfs/dbraw/zinc/96/61/00/734966100.db2.gz WFDVOLBUGUJJEC-GJZGRUSLSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cnsn2)C1 ZINC000971704757 734966101 /nfs/dbraw/zinc/96/61/01/734966101.db2.gz WFDVOLBUGUJJEC-GJZGRUSLSA-N 1 1 333.461 0.668 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000973183500 738876365 /nfs/dbraw/zinc/87/63/65/738876365.db2.gz SYVLVUHPLZBRJN-RZLSGREXSA-N 1 1 343.431 0.994 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001006393899 751343252 /nfs/dbraw/zinc/34/32/52/751343252.db2.gz BIYQWKSFTSHOJS-UHFFFAOYSA-N 1 1 340.811 0.775 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000972077868 735616982 /nfs/dbraw/zinc/61/69/82/735616982.db2.gz ALNATVGBRXXPEF-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000972077868 735616984 /nfs/dbraw/zinc/61/69/84/735616984.db2.gz ALNATVGBRXXPEF-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972078266 735617572 /nfs/dbraw/zinc/61/75/72/735617572.db2.gz DWMCLSSXXJPOON-BXUZGUMPSA-N 1 1 332.429 0.789 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972079242 735620521 /nfs/dbraw/zinc/62/05/21/735620521.db2.gz MZVFSCDLTCZVQO-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972079242 735620529 /nfs/dbraw/zinc/62/05/29/735620529.db2.gz MZVFSCDLTCZVQO-LSDHHAIUSA-N 1 1 344.390 0.866 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC000972083569 735621985 /nfs/dbraw/zinc/62/19/85/735621985.db2.gz BGHZUJPUZRAZNE-GVDBMIGSSA-N 1 1 329.444 0.801 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)CNC(=O)[C@H](C)CC)CC1 ZINC001098564027 735664463 /nfs/dbraw/zinc/66/44/63/735664463.db2.gz JRQSBDFOKHKPQT-OAHLLOKOSA-N 1 1 337.464 0.457 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cnc(C)n3C)C2)C1=O ZINC000972177566 735758320 /nfs/dbraw/zinc/75/83/20/735758320.db2.gz QLNJGUWXEGEBRF-GJZGRUSLSA-N 1 1 345.447 0.662 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972201093 735778468 /nfs/dbraw/zinc/77/84/68/735778468.db2.gz XBRZQQAQHYRVNO-HUUCEWRRSA-N 1 1 327.388 0.272 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972201093 735778469 /nfs/dbraw/zinc/77/84/69/735778469.db2.gz XBRZQQAQHYRVNO-HUUCEWRRSA-N 1 1 327.388 0.272 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2cnco2)C1 ZINC001059847906 751358722 /nfs/dbraw/zinc/35/87/22/751358722.db2.gz XFBMTNMWMJSUOE-GJZGRUSLSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2cnco2)C1 ZINC001059847906 751358729 /nfs/dbraw/zinc/35/87/29/751358729.db2.gz XFBMTNMWMJSUOE-GJZGRUSLSA-N 1 1 344.415 0.741 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCN3C(=O)CNC3=O)C2)CC1 ZINC000972238875 735826081 /nfs/dbraw/zinc/82/60/81/735826081.db2.gz QACYWOFSFFKWGE-OAHLLOKOSA-N 1 1 348.447 0.817 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001098566543 735835937 /nfs/dbraw/zinc/83/59/37/735835937.db2.gz BCISUUPTGXTYCQ-QGZVFWFLSA-N 1 1 339.480 0.569 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001058908807 751363764 /nfs/dbraw/zinc/36/37/64/751363764.db2.gz HMTDYHTWVNSMSX-DZGCQCFKSA-N 1 1 347.394 0.826 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001058908807 751363770 /nfs/dbraw/zinc/36/37/70/751363770.db2.gz HMTDYHTWVNSMSX-DZGCQCFKSA-N 1 1 347.394 0.826 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001041962959 782501588 /nfs/dbraw/zinc/50/15/88/782501588.db2.gz CBRGWHWKSFCMKF-OAHLLOKOSA-N 1 1 337.464 0.905 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341831 735972691 /nfs/dbraw/zinc/97/26/91/735972691.db2.gz ISWPYYIBEXDFOH-OAGGEKHMSA-N 1 1 326.400 0.712 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341831 735972694 /nfs/dbraw/zinc/97/26/94/735972694.db2.gz ISWPYYIBEXDFOH-OAGGEKHMSA-N 1 1 326.400 0.712 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001041963208 782502458 /nfs/dbraw/zinc/50/24/58/782502458.db2.gz JWLJJROKTWAVPL-HNNXBMFYSA-N 1 1 337.464 0.905 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCOC)CCO2 ZINC000972392888 736109520 /nfs/dbraw/zinc/10/95/20/736109520.db2.gz NZIZPVIDGXYOAE-RYRKJORJSA-N 1 1 338.448 0.917 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCOC)CCO2 ZINC000972392888 736109521 /nfs/dbraw/zinc/10/95/21/736109521.db2.gz NZIZPVIDGXYOAE-RYRKJORJSA-N 1 1 338.448 0.917 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972420708 736163520 /nfs/dbraw/zinc/16/35/20/736163520.db2.gz ATGJYYJSYUMOCU-ROUUACIJSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972423299 736169454 /nfs/dbraw/zinc/16/94/54/736169454.db2.gz BTZXXLRQPPHYSU-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435317 736189795 /nfs/dbraw/zinc/18/97/95/736189795.db2.gz NHOCAXXEAINMKF-GOSISDBHSA-N 1 1 344.415 0.354 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435317 736189797 /nfs/dbraw/zinc/18/97/97/736189797.db2.gz NHOCAXXEAINMKF-GOSISDBHSA-N 1 1 344.415 0.354 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC000972459574 736250472 /nfs/dbraw/zinc/25/04/72/736250472.db2.gz XHDSYKDPZJJLFU-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC000972459574 736250476 /nfs/dbraw/zinc/25/04/76/736250476.db2.gz XHDSYKDPZJJLFU-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001022990009 736365669 /nfs/dbraw/zinc/36/56/69/736365669.db2.gz YGHSBLXFQBKBBN-BETUJISGSA-N 1 1 341.371 0.836 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csnn2)C1 ZINC001022989576 736367296 /nfs/dbraw/zinc/36/72/96/736367296.db2.gz MPOMJRSQKWSIRQ-TXEJJXNPSA-N 1 1 343.412 0.996 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000981966746 751371536 /nfs/dbraw/zinc/37/15/36/751371536.db2.gz CTTOFZVFCCJLHF-AWEZNQCLSA-N 1 1 327.432 0.478 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3nc(C)c[nH]3)C2)C1=O ZINC000972514628 736513086 /nfs/dbraw/zinc/51/30/86/736513086.db2.gz RSZNZRRDSJKTFO-KGLIPLIRSA-N 1 1 331.420 0.651 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000972525185 736570590 /nfs/dbraw/zinc/57/05/90/736570590.db2.gz ZRMUFLZSIURZBZ-KRWDZBQOSA-N 1 1 332.404 0.653 20 30 ECEDMO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@H]2OC)CC1 ZINC001213395029 736719578 /nfs/dbraw/zinc/71/95/78/736719578.db2.gz JSBAYGJLSKJDEW-RBSFLKMASA-N 1 1 326.437 0.556 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001028178361 751377249 /nfs/dbraw/zinc/37/72/49/751377249.db2.gz NNLYWHKOZXDYMR-CYBMUJFWSA-N 1 1 334.420 0.244 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001023405102 736788832 /nfs/dbraw/zinc/78/88/32/736788832.db2.gz ZTSAJQGHNSUQRD-HZPDHXFCSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001023416678 736798351 /nfs/dbraw/zinc/79/83/51/736798351.db2.gz CISWUBDMSXAYOK-RHSMWYFYSA-N 1 1 325.412 0.975 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001023464038 736875752 /nfs/dbraw/zinc/87/57/52/736875752.db2.gz ALOFVRKBMZBWKQ-GFCCVEGCSA-N 1 1 339.417 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001023526786 736958360 /nfs/dbraw/zinc/95/83/60/736958360.db2.gz LSRCKVQANNVGBG-WBVHZDCISA-N 1 1 325.412 0.998 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@@H](C)OC)CCO3)nn1 ZINC000972585353 736970483 /nfs/dbraw/zinc/97/04/83/736970483.db2.gz LGRJLQXTKKCTKM-RHSMWYFYSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@@H](C)OC)CCO3)nn1 ZINC000972585353 736970486 /nfs/dbraw/zinc/97/04/86/736970486.db2.gz LGRJLQXTKKCTKM-RHSMWYFYSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972586639 736975008 /nfs/dbraw/zinc/97/50/08/736975008.db2.gz ZWTDLGAICSEDHI-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972586639 736975013 /nfs/dbraw/zinc/97/50/13/736975013.db2.gz ZWTDLGAICSEDHI-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3n[nH]cc3F)C2)C1=O ZINC001023576282 737032435 /nfs/dbraw/zinc/03/24/35/737032435.db2.gz GVVLSBKBWAAKQM-GXTWGEPZSA-N 1 1 349.410 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CCOCC)C1 ZINC001059847776 751386668 /nfs/dbraw/zinc/38/66/68/751386668.db2.gz VFSCGQKIBWKVIQ-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CCOCC)C1 ZINC001059847776 751386671 /nfs/dbraw/zinc/38/66/71/751386671.db2.gz VFSCGQKIBWKVIQ-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cncn3C)C2)nn1 ZINC001023637511 737124540 /nfs/dbraw/zinc/12/45/40/737124540.db2.gz NPLOOPMNOGCZJG-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001023640223 737131064 /nfs/dbraw/zinc/13/10/64/737131064.db2.gz AIHNBLPWEZIAMI-GJZGRUSLSA-N 1 1 345.447 0.947 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972637891 737196539 /nfs/dbraw/zinc/19/65/39/737196539.db2.gz FGUPLVCYYNIFSH-RDTXWAMCSA-N 1 1 345.447 0.789 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972637891 737196540 /nfs/dbraw/zinc/19/65/40/737196540.db2.gz FGUPLVCYYNIFSH-RDTXWAMCSA-N 1 1 345.447 0.789 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnnn3C)C2)cn1 ZINC001023710759 737218982 /nfs/dbraw/zinc/21/89/82/737218982.db2.gz QGPLRXATLVEYJF-CQSZACIVSA-N 1 1 338.415 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnnn3C)C2)cn1 ZINC001023710759 737218984 /nfs/dbraw/zinc/21/89/84/737218984.db2.gz QGPLRXATLVEYJF-CQSZACIVSA-N 1 1 338.415 0.833 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC000972647161 737247360 /nfs/dbraw/zinc/24/73/60/737247360.db2.gz OJEHPISSJWITQD-SFHVURJKSA-N 1 1 346.431 0.431 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC000972647161 737247363 /nfs/dbraw/zinc/24/73/63/737247363.db2.gz OJEHPISSJWITQD-SFHVURJKSA-N 1 1 346.431 0.431 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655986 737263484 /nfs/dbraw/zinc/26/34/84/737263484.db2.gz QSPIIBWANIQFAU-WMZOPIPTSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738830 737274927 /nfs/dbraw/zinc/27/49/27/737274927.db2.gz IPMQBMLSOBRROE-NSHDSACASA-N 1 1 337.811 0.770 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738830 737274929 /nfs/dbraw/zinc/27/49/29/737274929.db2.gz IPMQBMLSOBRROE-NSHDSACASA-N 1 1 337.811 0.770 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001023758301 737312981 /nfs/dbraw/zinc/31/29/81/737312981.db2.gz UZDIJUYCHPZDCV-LSDHHAIUSA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001023758301 737312983 /nfs/dbraw/zinc/31/29/83/737312983.db2.gz UZDIJUYCHPZDCV-LSDHHAIUSA-N 1 1 343.855 0.814 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cs3)C2)C1 ZINC000972694154 737404115 /nfs/dbraw/zinc/40/41/15/737404115.db2.gz MZNMGRWBQNBQJV-QGZVFWFLSA-N 1 1 347.440 0.787 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cs3)C2)C1 ZINC000972694154 737404116 /nfs/dbraw/zinc/40/41/16/737404116.db2.gz MZNMGRWBQNBQJV-QGZVFWFLSA-N 1 1 347.440 0.787 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)nc1 ZINC000972756807 737597963 /nfs/dbraw/zinc/59/79/63/737597963.db2.gz PKRGCIGRRFEHDQ-GOEBONIOSA-N 1 1 326.400 0.440 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1 ZINC001098586202 737969144 /nfs/dbraw/zinc/96/91/44/737969144.db2.gz ACZZOUBIMYNJQK-HNNXBMFYSA-N 1 1 325.453 0.605 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnc(OCC)cn2)CC1 ZINC001098586510 738008510 /nfs/dbraw/zinc/00/85/10/738008510.db2.gz HFWCIGDADYEXEB-UHFFFAOYSA-N 1 1 332.404 0.407 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1nccn1C ZINC001024488397 738016233 /nfs/dbraw/zinc/01/62/33/738016233.db2.gz YEJNDPSHTWUIPN-SJORKVTESA-N 1 1 343.475 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1nccn1C ZINC001024488397 738016236 /nfs/dbraw/zinc/01/62/36/738016236.db2.gz YEJNDPSHTWUIPN-SJORKVTESA-N 1 1 343.475 0.988 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCOCC3)C(C)(C)[C@@H]21 ZINC001087282147 738097450 /nfs/dbraw/zinc/09/74/50/738097450.db2.gz SHIRNQOYCUWDAK-KBAYOESNSA-N 1 1 333.476 0.947 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001024567609 738115665 /nfs/dbraw/zinc/11/56/65/738115665.db2.gz DYFCUVAEQYQYHY-HIFRSBDPSA-N 1 1 329.404 0.360 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCOCC3=O)C(C)(C)[C@H]21 ZINC001087289120 738123658 /nfs/dbraw/zinc/12/36/58/738123658.db2.gz HCESNWVBRBJLDM-JLSDUUJJSA-N 1 1 347.459 0.474 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@H]21 ZINC001087298526 738158438 /nfs/dbraw/zinc/15/84/38/738158438.db2.gz GSWJKXLVBVERDL-OLMNPRSZSA-N 1 1 348.491 0.600 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001024605926 738159507 /nfs/dbraw/zinc/15/95/07/738159507.db2.gz FGQRRBXYBJGWSX-FIDHJVLJSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001024605926 738159509 /nfs/dbraw/zinc/15/95/09/738159509.db2.gz FGQRRBXYBJGWSX-FIDHJVLJSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCN(C(N)=O)CC3)[C@H]2C1 ZINC001083270105 738172082 /nfs/dbraw/zinc/17/20/82/738172082.db2.gz MZACSBHWLJUJFL-LSDHHAIUSA-N 1 1 336.436 0.265 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)C(C)(C)[C@H]21 ZINC001087305365 738198376 /nfs/dbraw/zinc/19/83/76/738198376.db2.gz RODBGJDPABQSQN-DFBGVHRSSA-N 1 1 328.416 0.966 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001024666583 738208280 /nfs/dbraw/zinc/20/82/80/738208280.db2.gz QRUHYSMUMFALAL-HUUCEWRRSA-N 1 1 330.436 0.620 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CC(=O)NC1=O ZINC001087309043 738234669 /nfs/dbraw/zinc/23/46/69/738234669.db2.gz ZKCJZMMZIMLUPG-UHOFOFEASA-N 1 1 346.431 0.167 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3nc(C)ccc3=O)C(C)(C)[C@H]21 ZINC001087315057 738265489 /nfs/dbraw/zinc/26/54/89/738265489.db2.gz VTIQXIJEYWTBTO-OLMNPRSZSA-N 1 1 342.443 0.790 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C(C)(C)[C@H]21 ZINC001087316021 738270659 /nfs/dbraw/zinc/27/06/59/738270659.db2.gz LLMKFOYBYQJYIE-BNOWGMLFSA-N 1 1 346.431 0.891 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025282162 739004748 /nfs/dbraw/zinc/00/47/48/739004748.db2.gz ZUWAILJVYBAKAJ-CABCVRRESA-N 1 1 346.431 0.407 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccn(CC)n2)C1 ZINC000973266843 739008064 /nfs/dbraw/zinc/00/80/64/739008064.db2.gz QUNOTJQVSWQFCV-DZKIICNBSA-N 1 1 343.431 0.378 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccn(CC)n2)C1 ZINC000973266843 739008068 /nfs/dbraw/zinc/00/80/68/739008068.db2.gz QUNOTJQVSWQFCV-DZKIICNBSA-N 1 1 343.431 0.378 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025298283 739019365 /nfs/dbraw/zinc/01/93/65/739019365.db2.gz VXKYJOHPIQQAAK-KBPBESRZSA-N 1 1 334.420 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025298621 739019539 /nfs/dbraw/zinc/01/95/39/739019539.db2.gz YNDBXGIHJGVPDD-KBPBESRZSA-N 1 1 332.404 0.017 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000973289655 739053456 /nfs/dbraw/zinc/05/34/56/739053456.db2.gz MBWARRMQHPJUBV-KKUMJFAQSA-N 1 1 326.400 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]nc2CC)C1 ZINC000973410814 739224114 /nfs/dbraw/zinc/22/41/14/739224114.db2.gz RMAKRXHCXHFHNJ-XEZPLFJOSA-N 1 1 343.431 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]nc2CC)C1 ZINC000973410814 739224118 /nfs/dbraw/zinc/22/41/18/739224118.db2.gz RMAKRXHCXHFHNJ-XEZPLFJOSA-N 1 1 343.431 0.447 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000973410822 739224319 /nfs/dbraw/zinc/22/43/19/739224319.db2.gz SXRJDWJJFOKKBI-DGXTUMSLSA-N 1 1 333.432 0.415 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000973410822 739224324 /nfs/dbraw/zinc/22/43/24/739224324.db2.gz SXRJDWJJFOKKBI-DGXTUMSLSA-N 1 1 333.432 0.415 20 30 ECEDMO CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001041977662 782531699 /nfs/dbraw/zinc/53/16/99/782531699.db2.gz DZBCVKLCUVDHSP-UMVBOHGHSA-N 1 1 342.447 0.803 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CCN(c2cncc(C#N)n2)CC3)C1 ZINC001058636455 739544276 /nfs/dbraw/zinc/54/42/76/739544276.db2.gz IXKWRFQEQLXFIC-UKRRQHHQSA-N 1 1 340.431 0.775 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC23CCN(c2cncc(C#N)n2)CC3)C1 ZINC001058636454 739544288 /nfs/dbraw/zinc/54/42/88/739544288.db2.gz IXKWRFQEQLXFIC-HIFRSBDPSA-N 1 1 340.431 0.775 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001025460212 739575546 /nfs/dbraw/zinc/57/55/46/739575546.db2.gz XUQAUTYIZFDNCT-NEPJUHHUSA-N 1 1 339.417 0.391 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2O)C1 ZINC001025548796 739704722 /nfs/dbraw/zinc/70/47/22/739704722.db2.gz PBDQYWIQISLNIS-HUUCEWRRSA-N 1 1 335.448 0.515 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2nc3ncccn3n2)C1 ZINC001025571552 739735438 /nfs/dbraw/zinc/73/54/38/739735438.db2.gz RHZCCWFQFXFAKN-ZIAGYGMSSA-N 1 1 326.404 0.978 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nc1 ZINC001025597682 739759528 /nfs/dbraw/zinc/75/95/28/739759528.db2.gz RYPAIUJMUKDOOI-GOEBONIOSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001025629478 739794027 /nfs/dbraw/zinc/79/40/27/739794027.db2.gz HBZKSRUOVHHCOQ-OLZOCXBDSA-N 1 1 334.424 0.170 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC001006528248 751483687 /nfs/dbraw/zinc/48/36/87/751483687.db2.gz HIUYWKVNNBRXBJ-UKRRQHHQSA-N 1 1 340.427 0.591 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4C[C@]45CCOC5)C[C@H]32)[nH]1 ZINC001025741739 739910630 /nfs/dbraw/zinc/91/06/30/739910630.db2.gz WHQPTTFKUOJWFZ-HGVWNUNNSA-N 1 1 326.400 0.973 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058659250 739913319 /nfs/dbraw/zinc/91/33/19/739913319.db2.gz VWQGGVOWHSZBEL-CABCVRRESA-N 1 1 338.452 0.346 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCOCC2)C1=O ZINC001025761864 739927747 /nfs/dbraw/zinc/92/77/47/739927747.db2.gz WPSZQXSZMFOMSS-UUAJXVIYSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC2(F)F)C1=O ZINC001025771742 739934990 /nfs/dbraw/zinc/93/49/90/739934990.db2.gz AZHLRBPMIXECBW-FHUSYTEZSA-N 1 1 325.359 0.475 20 30 ECEDMO C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001058661123 739950508 /nfs/dbraw/zinc/95/05/08/739950508.db2.gz PJNVKXBWTWFLJJ-GOEBONIOSA-N 1 1 346.431 0.386 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2OCC[C@H]2CC)C1=O ZINC001025814831 739997751 /nfs/dbraw/zinc/99/77/51/739997751.db2.gz ORIZRPPWNPPQFF-XDKXFUCDSA-N 1 1 347.459 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2c[nH]nc2C)C1 ZINC001006552944 751509747 /nfs/dbraw/zinc/50/97/47/751509747.db2.gz YCDOCBUHUVGCMJ-WBMJQRKESA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2c[nH]nc2C)C1 ZINC001006552944 751509752 /nfs/dbraw/zinc/50/97/52/751509752.db2.gz YCDOCBUHUVGCMJ-WBMJQRKESA-N 1 1 343.431 0.392 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2csc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070007125 790308181 /nfs/dbraw/zinc/30/81/81/790308181.db2.gz VFSJFNKBNLOIAO-OCCSQVGLSA-N 1 1 330.417 0.722 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2csc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070007125 790308187 /nfs/dbraw/zinc/30/81/87/790308187.db2.gz VFSJFNKBNLOIAO-OCCSQVGLSA-N 1 1 330.417 0.722 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001068463971 790320159 /nfs/dbraw/zinc/32/01/59/790320159.db2.gz SEYPQYZPTIMAPY-HZPDHXFCSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001078233265 782533611 /nfs/dbraw/zinc/53/36/11/782533611.db2.gz RNTKUYGHQBNZNV-HUUCEWRRSA-N 1 1 327.388 0.075 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(Nc3ccc(C#N)nc3)CCC2)C1 ZINC001111777602 740189065 /nfs/dbraw/zinc/18/90/65/740189065.db2.gz KVIPPAZPQSTZKO-OAHLLOKOSA-N 1 1 329.404 0.735 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(Nc3ccc(C#N)nc3)CCC2)C1 ZINC001111777602 740189068 /nfs/dbraw/zinc/18/90/68/740189068.db2.gz KVIPPAZPQSTZKO-OAHLLOKOSA-N 1 1 329.404 0.735 20 30 ECEDMO NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001025938404 740267266 /nfs/dbraw/zinc/26/72/66/740267266.db2.gz XBBPJNGKMSVMAE-NNPSNHGLSA-N 1 1 337.423 0.596 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026056878 740344110 /nfs/dbraw/zinc/34/41/10/740344110.db2.gz HYEZSTOVJHOQQW-RDGWLKQMSA-N 1 1 333.432 0.245 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]2(C)CCOC2)C1=O ZINC001026124206 740392323 /nfs/dbraw/zinc/39/23/23/740392323.db2.gz WWWNNPJDDGMPTQ-FQRJBHLQSA-N 1 1 333.432 0.246 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCOC)C2)nn1 ZINC001087392357 740409287 /nfs/dbraw/zinc/40/92/87/740409287.db2.gz GLBMJZFRQPNAFN-JKQORVJESA-N 1 1 345.447 0.893 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCCOC2)C1=O ZINC001026146588 740420678 /nfs/dbraw/zinc/42/06/78/740420678.db2.gz IXMCSERMWACLRV-LFRCEIEQSA-N 1 1 347.459 0.636 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)n1 ZINC001026245324 740582605 /nfs/dbraw/zinc/58/26/05/740582605.db2.gz ZYXPTWYVRLCSOC-ZLKJLUDKSA-N 1 1 340.391 0.050 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000973956628 740658687 /nfs/dbraw/zinc/65/86/87/740658687.db2.gz AHWGYYNWFVJDNM-OWCLPIDISA-N 1 1 326.400 0.534 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cc(COC)ncn1 ZINC001104862943 740754276 /nfs/dbraw/zinc/75/42/76/740754276.db2.gz TZSCAKGDZXTDJQ-HOCLYGCPSA-N 1 1 345.447 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cc(COC)ncn1 ZINC001104862943 740754279 /nfs/dbraw/zinc/75/42/79/740754279.db2.gz TZSCAKGDZXTDJQ-HOCLYGCPSA-N 1 1 345.447 0.979 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000974053820 740854769 /nfs/dbraw/zinc/85/47/69/740854769.db2.gz OMGHXQQBFJQWIM-GUTXKFCHSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000974143273 740999973 /nfs/dbraw/zinc/99/99/73/740999973.db2.gz LHUVSOZVRBCFDF-YIYPIFLZSA-N 1 1 346.435 0.181 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000974146614 741003397 /nfs/dbraw/zinc/00/33/97/741003397.db2.gz HFCQTLQRFGUXLM-OKZBNKHCSA-N 1 1 339.439 0.926 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001112069653 741092788 /nfs/dbraw/zinc/09/27/88/741092788.db2.gz HUSQOEUZGCJYEE-VXGBXAGGSA-N 1 1 349.353 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cnc(C)cn1 ZINC001038367724 741162131 /nfs/dbraw/zinc/16/21/31/741162131.db2.gz MXHYJMLGQZPDMV-SJORKVTESA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cnc(C)cn1 ZINC001038367724 741162135 /nfs/dbraw/zinc/16/21/35/741162135.db2.gz MXHYJMLGQZPDMV-SJORKVTESA-N 1 1 327.432 0.573 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CCS(=O)(=O)NC)[C@H](C)C1 ZINC001101969460 753836770 /nfs/dbraw/zinc/83/67/70/753836770.db2.gz WTPBPZRADHAWSC-ZYHUDNBSSA-N 1 1 337.873 0.362 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccn(C)c2C)C1 ZINC000974266185 741199235 /nfs/dbraw/zinc/19/92/35/741199235.db2.gz ZIKDLXRGVBKDQY-UXLLHSPISA-N 1 1 342.443 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccn(C)c2C)C1 ZINC000974266185 741199237 /nfs/dbraw/zinc/19/92/37/741199237.db2.gz ZIKDLXRGVBKDQY-UXLLHSPISA-N 1 1 342.443 0.808 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]3OCC)C2)nn1 ZINC001105171249 741438872 /nfs/dbraw/zinc/43/88/72/741438872.db2.gz FJHIJPRLASBREU-CVEARBPZSA-N 1 1 349.435 0.379 20 30 ECEDMO CO[C@@H](C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001105215538 741486921 /nfs/dbraw/zinc/48/69/21/741486921.db2.gz DCHKTBQOECKDDT-NSHDSACASA-N 1 1 343.391 0.299 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)CC3(O)CCC3)C2)nn1 ZINC001105235912 741528240 /nfs/dbraw/zinc/52/82/40/741528240.db2.gz ZNNGGISDFUEGIK-UHFFFAOYSA-N 1 1 349.435 0.259 20 30 ECEDMO C#CCOCCC(=O)N1CC(n2cc(C[NH2+]CCOC(C)C)nn2)C1 ZINC001105240730 741529431 /nfs/dbraw/zinc/52/94/31/741529431.db2.gz ZKOBKVPWFUNIMI-UHFFFAOYSA-N 1 1 349.435 0.216 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006670413 751647051 /nfs/dbraw/zinc/64/70/51/751647051.db2.gz DCAGLNUAMCMOLU-PBHICJAKSA-N 1 1 347.459 0.472 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006670413 751647056 /nfs/dbraw/zinc/64/70/56/751647056.db2.gz DCAGLNUAMCMOLU-PBHICJAKSA-N 1 1 347.459 0.472 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)Cn3ccc(C)n3)C2)nn1 ZINC001105249378 741553146 /nfs/dbraw/zinc/55/31/46/741553146.db2.gz SCUQVTDNONIMKW-ZDUSSCGKSA-N 1 1 343.435 0.778 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC000982135715 751648170 /nfs/dbraw/zinc/64/81/70/751648170.db2.gz PWACINPUAFDABN-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001026564222 741561735 /nfs/dbraw/zinc/56/17/35/741561735.db2.gz VXXVXSPMRUAXOM-PQAZSJQKSA-N 1 1 334.424 0.318 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC000982135350 751648575 /nfs/dbraw/zinc/64/85/75/751648575.db2.gz DOFNBXPTVPYHIO-MRXNPFEDSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)CCNC(=O)C3)C2)nn1 ZINC001105268290 741609981 /nfs/dbraw/zinc/60/99/81/741609981.db2.gz IEQSXYWXFVLIQR-QGZVFWFLSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268519 741611437 /nfs/dbraw/zinc/61/14/37/741611437.db2.gz QTZIXFSMAZPBMM-MRXNPFEDSA-N 1 1 332.452 0.811 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N[C@@H](C)C3)C2)nn1 ZINC001105275714 741621821 /nfs/dbraw/zinc/62/18/21/741621821.db2.gz ZAHBPCGFLZZPPM-QWHCGFSZSA-N 1 1 346.435 0.242 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCCC(=O)N3)C2)nn1 ZINC001105278934 741634872 /nfs/dbraw/zinc/63/48/72/741634872.db2.gz ZSJXWGRLPJVRKH-ZDUSSCGKSA-N 1 1 346.435 0.386 20 30 ECEDMO C#CCCCCC(=O)NCC[NH2+]Cc1nnnn1C1CCOCC1 ZINC001125939040 741684558 /nfs/dbraw/zinc/68/45/58/741684558.db2.gz QLWRPEUMNCOEJE-UHFFFAOYSA-N 1 1 334.424 0.424 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)C3=CCOCC3)C(C)(C)C2)C1=O ZINC000974498914 741811448 /nfs/dbraw/zinc/81/14/48/741811448.db2.gz FVAKQQUKMWHCRL-CVEARBPZSA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)C3=CCOCC3)C(C)(C)C2)C1=O ZINC000974498914 741811451 /nfs/dbraw/zinc/81/14/51/741811451.db2.gz FVAKQQUKMWHCRL-CVEARBPZSA-N 1 1 347.459 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ncccn2)C1 ZINC001006685516 751671359 /nfs/dbraw/zinc/67/13/59/751671359.db2.gz BJQXEXCSORGJDB-HIFRSBDPSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ncccn2)C1 ZINC001006685516 751671362 /nfs/dbraw/zinc/67/13/62/751671362.db2.gz BJQXEXCSORGJDB-HIFRSBDPSA-N 1 1 341.415 0.151 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001059862473 751682102 /nfs/dbraw/zinc/68/21/02/751682102.db2.gz NIWWYWOVNSTZMQ-HZSPNIEDSA-N 1 1 328.420 0.704 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001026850282 741965161 /nfs/dbraw/zinc/96/51/61/741965161.db2.gz RIKZPZWTHLJWQT-MCIONIFRSA-N 1 1 334.424 0.129 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)CC1(C)C ZINC000974688598 742008381 /nfs/dbraw/zinc/00/83/81/742008381.db2.gz BICVAOGZVXYAMD-DLBZAZTESA-N 1 1 343.475 0.844 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cncn2C)CC1(C)C ZINC000974688598 742008386 /nfs/dbraw/zinc/00/83/86/742008386.db2.gz BICVAOGZVXYAMD-DLBZAZTESA-N 1 1 343.475 0.844 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC1(C)C ZINC000974707377 742066681 /nfs/dbraw/zinc/06/66/81/742066681.db2.gz YIYJVEUWMNCODO-JKSUJKDBSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)CC1(C)C ZINC000974707377 742066684 /nfs/dbraw/zinc/06/66/84/742066684.db2.gz YIYJVEUWMNCODO-JKSUJKDBSA-N 1 1 346.475 0.143 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2cnc3c(c2)nnn3C)C(C)(C)C1 ZINC000974829702 742227952 /nfs/dbraw/zinc/22/79/52/742227952.db2.gz WFUFMPYXFVVWBZ-AWEZNQCLSA-N 1 1 326.404 0.827 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cnc3c(c2)nnn3C)C(C)(C)C1 ZINC000974829702 742227961 /nfs/dbraw/zinc/22/79/61/742227961.db2.gz WFUFMPYXFVVWBZ-AWEZNQCLSA-N 1 1 326.404 0.827 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C(C)(C)C1 ZINC000974893008 742299756 /nfs/dbraw/zinc/29/97/56/742299756.db2.gz LBPLUWKSVVRNST-CQSZACIVSA-N 1 1 341.415 0.346 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)COC[C@@H]3CCOC3)C2)nn1 ZINC001105336449 742366065 /nfs/dbraw/zinc/36/60/65/742366065.db2.gz FAPIEQWHIXEQAH-CQSZACIVSA-N 1 1 349.435 0.380 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974994682 742421817 /nfs/dbraw/zinc/42/18/17/742421817.db2.gz LJSRBUXWJGAHIC-HUUCEWRRSA-N 1 1 341.415 0.566 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000975360526 742751233 /nfs/dbraw/zinc/75/12/33/742751233.db2.gz JGPUGLFFKBGXHI-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000975360526 742751238 /nfs/dbraw/zinc/75/12/38/742751238.db2.gz JGPUGLFFKBGXHI-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)O1 ZINC000975372986 742765918 /nfs/dbraw/zinc/76/59/18/742765918.db2.gz ZLESZYDMHVBNLY-DJIMGWMZSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)O1 ZINC000975372986 742765921 /nfs/dbraw/zinc/76/59/21/742765921.db2.gz ZLESZYDMHVBNLY-DJIMGWMZSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000975359149 742776687 /nfs/dbraw/zinc/77/66/87/742776687.db2.gz DWQHEYVRYMQNDE-IXDOHACOSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000975359149 742776689 /nfs/dbraw/zinc/77/66/89/742776689.db2.gz DWQHEYVRYMQNDE-IXDOHACOSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2cnco2)C1 ZINC000975420189 742830427 /nfs/dbraw/zinc/83/04/27/742830427.db2.gz UYQORVUZSTVHPG-GJZGRUSLSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2cnco2)C1 ZINC000975420189 742830434 /nfs/dbraw/zinc/83/04/34/742830434.db2.gz UYQORVUZSTVHPG-GJZGRUSLSA-N 1 1 344.415 0.741 20 30 ECEDMO C=CCC[NH+]1CCN(C2CCC(NC(=O)Cn3ncnn3)CC2)CC1 ZINC000996776441 742843971 /nfs/dbraw/zinc/84/39/71/742843971.db2.gz NBFDGIMHWWKYKM-UHFFFAOYSA-N 1 1 347.467 0.294 20 30 ECEDMO O=C(NC[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001028936532 742919940 /nfs/dbraw/zinc/91/99/40/742919940.db2.gz ZLDYMCMKWFQGPZ-RDJZCZTQSA-N 1 1 343.402 0.894 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001028937132 742922127 /nfs/dbraw/zinc/92/21/27/742922127.db2.gz MQRRGWYTMSJVAM-QWHCGFSZSA-N 1 1 330.388 0.019 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)cn1 ZINC000997103563 743240299 /nfs/dbraw/zinc/24/02/99/743240299.db2.gz JXMYXWZLHBWMEO-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC000975810975 743329844 /nfs/dbraw/zinc/32/98/44/743329844.db2.gz KQYDVFQOZNHQEQ-JYJNAYRXSA-N 1 1 348.447 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1cnon1 ZINC000975854282 743355947 /nfs/dbraw/zinc/35/59/47/743355947.db2.gz PAZKZUYLIGLMAJ-ZFWWWQNUSA-N 1 1 345.403 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1cnon1 ZINC000975854282 743355957 /nfs/dbraw/zinc/35/59/57/743355957.db2.gz PAZKZUYLIGLMAJ-ZFWWWQNUSA-N 1 1 345.403 0.278 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291961 743472539 /nfs/dbraw/zinc/47/25/39/743472539.db2.gz ZTWMMDXSCCSVSY-MRXNPFEDSA-N 1 1 339.403 0.668 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)COCC(F)F)C2)nn1 ZINC001098695166 743521145 /nfs/dbraw/zinc/52/11/45/743521145.db2.gz RBNLOIWUPVQYKO-ZDUSSCGKSA-N 1 1 343.378 0.999 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnns3)C2)C1=O ZINC001027316411 743657902 /nfs/dbraw/zinc/65/79/02/743657902.db2.gz XEFPSJFPBOSEII-STQMWFEESA-N 1 1 349.460 0.861 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnns3)C2)C1=O ZINC001027316410 743657990 /nfs/dbraw/zinc/65/79/90/743657990.db2.gz XEFPSJFPBOSEII-QWHCGFSZSA-N 1 1 349.460 0.861 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)c3cc(C)[nH]n3)CC2)C1=O ZINC000997585974 743691962 /nfs/dbraw/zinc/69/19/62/743691962.db2.gz QUVNYAOCSXLMHC-OAHLLOKOSA-N 1 1 345.447 0.947 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000976322135 743813835 /nfs/dbraw/zinc/81/38/35/743813835.db2.gz HNKASJKRIGDDDW-CVGURMSBSA-N 1 1 341.415 0.415 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344253 743827518 /nfs/dbraw/zinc/82/75/18/743827518.db2.gz RLQNKJLOULMCKJ-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344253 743827521 /nfs/dbraw/zinc/82/75/21/743827521.db2.gz RLQNKJLOULMCKJ-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC000997984326 743916915 /nfs/dbraw/zinc/91/69/15/743916915.db2.gz SGKUKMPJNBUFJV-WJNVRWDZSA-N 1 1 345.403 0.758 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000998153647 744010692 /nfs/dbraw/zinc/01/06/92/744010692.db2.gz GUEWDQSFYGDXIZ-TXKKKEFDSA-N 1 1 348.447 0.864 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001027373440 744038662 /nfs/dbraw/zinc/03/86/62/744038662.db2.gz LZJGKLDUBIEBOT-CABCVRRESA-N 1 1 329.404 0.653 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000998193795 744042711 /nfs/dbraw/zinc/04/27/11/744042711.db2.gz CDFOWKCBSWTGDU-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO C[N@@H+](CCN1C(=O)CCC1=O)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027401086 744172140 /nfs/dbraw/zinc/17/21/40/744172140.db2.gz AQBOIPITEZZOSO-HNNXBMFYSA-N 1 1 331.416 0.472 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001027409626 744210586 /nfs/dbraw/zinc/21/05/86/744210586.db2.gz MLESWDUXRJYKLX-KGLIPLIRSA-N 1 1 329.404 0.319 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000998589646 744246024 /nfs/dbraw/zinc/24/60/24/744246024.db2.gz VQIZSMHGJBFSEZ-HUUCEWRRSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CCOCC3)C[C@H]21 ZINC000976740787 744276387 /nfs/dbraw/zinc/27/63/87/744276387.db2.gz NRERVFNZKOLXCU-VVLHAWIVSA-N 1 1 343.427 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CCOCC3)C[C@H]21 ZINC000976740787 744276389 /nfs/dbraw/zinc/27/63/89/744276389.db2.gz NRERVFNZKOLXCU-VVLHAWIVSA-N 1 1 343.427 0.004 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000976792377 744328986 /nfs/dbraw/zinc/32/89/86/744328986.db2.gz JTNFBALWURXHBJ-JHMPBIJASA-N 1 1 347.459 0.635 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC000998976950 744444062 /nfs/dbraw/zinc/44/40/62/744444062.db2.gz UNNPPLHJBWVEAO-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC ZINC001028249697 751921532 /nfs/dbraw/zinc/92/15/32/751921532.db2.gz DFNQOJZNAWRWNZ-UONOGXRCSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC ZINC001028249697 751921535 /nfs/dbraw/zinc/92/15/35/751921535.db2.gz DFNQOJZNAWRWNZ-UONOGXRCSA-N 1 1 346.431 0.975 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@H]32)cn1 ZINC000976915976 744475243 /nfs/dbraw/zinc/47/52/43/744475243.db2.gz LPBAUWGSKXYWQU-VVLHAWIVSA-N 1 1 338.411 0.344 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000999317023 744621594 /nfs/dbraw/zinc/62/15/94/744621594.db2.gz NDHUOWGPGRXJGE-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000999318644 744622490 /nfs/dbraw/zinc/62/24/90/744622490.db2.gz YUYCFDLVAZUYKH-ZFWWWQNUSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001027478605 744718886 /nfs/dbraw/zinc/71/88/86/744718886.db2.gz VZBQPCSMQZHFRT-NSHDSACASA-N 1 1 325.390 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC23CCCC3)C1 ZINC000999624303 744800893 /nfs/dbraw/zinc/80/08/93/744800893.db2.gz HMRMWNQWORXZTQ-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC23CCCC3)C1 ZINC000999624303 744800896 /nfs/dbraw/zinc/80/08/96/744800896.db2.gz HMRMWNQWORXZTQ-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001027508154 744864311 /nfs/dbraw/zinc/86/43/11/744864311.db2.gz WZDQOPGWIFSTEX-ZDUSSCGKSA-N 1 1 327.388 0.501 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C(C)(C)C1 ZINC000977322761 744866956 /nfs/dbraw/zinc/86/69/56/744866956.db2.gz VITCVWRSCKAUQE-AWEZNQCLSA-N 1 1 341.415 0.795 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3ncccn3)C(C)(C)C2)C1=O ZINC000977393204 744920902 /nfs/dbraw/zinc/92/09/02/744920902.db2.gz TWWDTAMJOZKGKJ-KGLIPLIRSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3ncccn3)C(C)(C)C2)C1=O ZINC000977393204 744920904 /nfs/dbraw/zinc/92/09/04/744920904.db2.gz TWWDTAMJOZKGKJ-KGLIPLIRSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3n[nH]nc3C)C2)C1=O ZINC001027517883 744937653 /nfs/dbraw/zinc/93/76/53/744937653.db2.gz KPKMFQGRPJIQAV-KGLIPLIRSA-N 1 1 346.435 0.436 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519696 744940712 /nfs/dbraw/zinc/94/07/12/744940712.db2.gz SPFFSOTZLVNCBP-CYBMUJFWSA-N 1 1 328.844 0.094 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519696 744940713 /nfs/dbraw/zinc/94/07/13/744940713.db2.gz SPFFSOTZLVNCBP-CYBMUJFWSA-N 1 1 328.844 0.094 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3C3CC3)C2)nn1 ZINC001105382258 744956447 /nfs/dbraw/zinc/95/64/47/744956447.db2.gz DKORZPFUQDKFDV-UHFFFAOYSA-N 1 1 341.419 0.862 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC000999892779 745022356 /nfs/dbraw/zinc/02/23/56/745022356.db2.gz YZOPBFJQXDRGQV-WFASDCNBSA-N 1 1 326.400 0.201 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000999905184 745043447 /nfs/dbraw/zinc/04/34/47/745043447.db2.gz QWBPEXDLUSREKD-ZFWWWQNUSA-N 1 1 330.432 0.812 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000977464777 745050643 /nfs/dbraw/zinc/05/06/43/745050643.db2.gz QFXBPCYWLVDWFG-GFCCVEGCSA-N 1 1 330.392 0.434 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]c(C)c3C)nn2)C1 ZINC000999962869 745106175 /nfs/dbraw/zinc/10/61/75/745106175.db2.gz NFGCXAIUAPDCIT-HNNXBMFYSA-N 1 1 341.419 0.818 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]nc(C)c3C)nn2)C1 ZINC000999962869 745106180 /nfs/dbraw/zinc/10/61/80/745106180.db2.gz NFGCXAIUAPDCIT-HNNXBMFYSA-N 1 1 341.419 0.818 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]nc(C)c3C)nn2)C1 ZINC000999962869 745106183 /nfs/dbraw/zinc/10/61/83/745106183.db2.gz NFGCXAIUAPDCIT-HNNXBMFYSA-N 1 1 341.419 0.818 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cscn3)nn2)C1 ZINC000999963562 745106986 /nfs/dbraw/zinc/10/69/86/745106986.db2.gz SDKUOQUZWHBFGB-ZDUSSCGKSA-N 1 1 330.417 0.935 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]c(C)c3C)nn2)C1 ZINC000999964376 745108769 /nfs/dbraw/zinc/10/87/69/745108769.db2.gz ZSIBMMYUAXNKBW-HNNXBMFYSA-N 1 1 341.419 0.818 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ocnc3C)nn2)C1 ZINC000999970679 745118635 /nfs/dbraw/zinc/11/86/35/745118635.db2.gz DIISBWLSWRFUKM-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc[nH]c(=O)c3)nn2)C1 ZINC000999973288 745121854 /nfs/dbraw/zinc/12/18/54/745121854.db2.gz YPNKMTNDPJCMDX-HNNXBMFYSA-N 1 1 340.387 0.579 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CN(C)CCO3)nn2)C1 ZINC000999975916 745124720 /nfs/dbraw/zinc/12/47/20/745124720.db2.gz SFDXKVYICVFGPP-HOTGVXAUSA-N 1 1 348.451 0.048 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnnc(C)c3)nn2)C1 ZINC000999977966 745126917 /nfs/dbraw/zinc/12/69/17/745126917.db2.gz CSDRESROZNSDFB-INIZCTEOSA-N 1 1 339.403 0.577 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(OC)ncn3)nn2)C1 ZINC000999986986 745141561 /nfs/dbraw/zinc/14/15/61/745141561.db2.gz MDFXTZRWXOTMMF-CYBMUJFWSA-N 1 1 343.391 0.440 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC000977525075 745141995 /nfs/dbraw/zinc/14/19/95/745141995.db2.gz BYRARUXXYUAHFI-CQSZACIVSA-N 1 1 340.387 0.764 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000977530054 745150392 /nfs/dbraw/zinc/15/03/92/745150392.db2.gz OKUTWDOHGVNOLO-KBPBESRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)[nH]nc3Cl)nn2)C1 ZINC000999992729 745150589 /nfs/dbraw/zinc/15/05/89/745150589.db2.gz PQTPTKVGTINWKQ-LBPRGKRZSA-N 1 1 347.810 0.773 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnn4c3CCC4)nn2)C1 ZINC000999994585 745154032 /nfs/dbraw/zinc/15/40/32/745154032.db2.gz YZZQJPOJBCABHS-AWEZNQCLSA-N 1 1 341.419 0.784 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001000001172 745163373 /nfs/dbraw/zinc/16/33/73/745163373.db2.gz BWMDDNCMCQBTHA-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]nc3CC)nn2)C1 ZINC001000001612 745164366 /nfs/dbraw/zinc/16/43/66/745164366.db2.gz DAUFVUOEGAFDNA-CQSZACIVSA-N 1 1 341.419 0.764 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3coc(OC)n3)nn2)C1 ZINC001000001430 745164389 /nfs/dbraw/zinc/16/43/89/745164389.db2.gz MPEIWSACPMCRMS-CYBMUJFWSA-N 1 1 344.375 0.475 20 30 ECEDMO C=CCOCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH]nn2)C12CCC2 ZINC001203418334 745167653 /nfs/dbraw/zinc/16/76/53/745167653.db2.gz GHKJAFLERZUBMF-CABCVRRESA-N 1 1 333.436 0.957 20 30 ECEDMO C=CCOCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2cnn[nH]2)C12CCC2 ZINC001203418334 745167658 /nfs/dbraw/zinc/16/76/58/745167658.db2.gz GHKJAFLERZUBMF-CABCVRRESA-N 1 1 333.436 0.957 20 30 ECEDMO C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]nn2)C12CCC2 ZINC001203418337 745176916 /nfs/dbraw/zinc/17/69/16/745176916.db2.gz GHKJAFLERZUBMF-LSDHHAIUSA-N 1 1 333.436 0.957 20 30 ECEDMO C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2cnn[nH]2)C12CCC2 ZINC001203418337 745176919 /nfs/dbraw/zinc/17/69/19/745176919.db2.gz GHKJAFLERZUBMF-LSDHHAIUSA-N 1 1 333.436 0.957 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3conc3C)nn2)C1 ZINC001000013371 745182544 /nfs/dbraw/zinc/18/25/44/745182544.db2.gz HVUYVCNKUIZLJS-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001000016382 745186528 /nfs/dbraw/zinc/18/65/28/745186528.db2.gz BELVSEMBQDHYSG-XHSDSOJGSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ocnc3C3CC3)nn2)C1 ZINC001000020158 745191641 /nfs/dbraw/zinc/19/16/41/745191641.db2.gz JJUBOGODOFVPOE-AWEZNQCLSA-N 1 1 340.387 0.954 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3conc3CC)nn2)C1 ZINC001000021116 745192446 /nfs/dbraw/zinc/19/24/46/745192446.db2.gz PDMJFLYADBBHDR-CYBMUJFWSA-N 1 1 328.376 0.639 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCCC(=O)N3)nn2)C1 ZINC001000025534 745196799 /nfs/dbraw/zinc/19/67/99/745196799.db2.gz QOTWAGVJOHEYQF-HUUCEWRRSA-N 1 1 346.435 0.386 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(CC)n3)nn2)C1 ZINC001000027571 745199361 /nfs/dbraw/zinc/19/93/61/745199361.db2.gz AHBHPYQYSDNQCV-HNNXBMFYSA-N 1 1 341.419 0.695 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[C@@H](C)O3)nn2)C1 ZINC001000031416 745205912 /nfs/dbraw/zinc/20/59/12/745205912.db2.gz NVSFSAJRLQFFPL-VNQPRFMTSA-N 1 1 331.420 0.732 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3oncc3C)nn2)C1 ZINC001000032501 745206863 /nfs/dbraw/zinc/20/68/63/745206863.db2.gz CTCUBQKFZJSQII-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3oncc3C)nn2)C1 ZINC001000034184 745208673 /nfs/dbraw/zinc/20/86/73/745208673.db2.gz ITJTYRVITMPBMW-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncccc3F)nn2)C1 ZINC001000038623 745217839 /nfs/dbraw/zinc/21/78/39/745217839.db2.gz YCIXQWKCRDVZNJ-ZDUSSCGKSA-N 1 1 328.351 0.622 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNc1ncccc1C#N ZINC001111494814 745224655 /nfs/dbraw/zinc/22/46/55/745224655.db2.gz KDQNOHVTVPSAPP-UHFFFAOYSA-N 1 1 333.436 0.918 20 30 ECEDMO C#CCCCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098697986 745244081 /nfs/dbraw/zinc/24/40/81/745244081.db2.gz NICIWBKFRGUJTO-INIZCTEOSA-N 1 1 333.436 0.717 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)C3=NC(=O)N(C)C3)C2)C1=O ZINC001000089403 745255010 /nfs/dbraw/zinc/25/50/10/745255010.db2.gz FSFNJEXDGVYDIC-OLZOCXBDSA-N 1 1 347.419 0.107 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C(C)(C)C1 ZINC000977629423 745285252 /nfs/dbraw/zinc/28/52/52/745285252.db2.gz OQGXUWLRNLJBPB-DLBZAZTESA-N 1 1 333.476 0.947 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 ZINC001059235113 745300143 /nfs/dbraw/zinc/30/01/43/745300143.db2.gz JLFUYAWJNDZJJW-OBJOEFQTSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 ZINC001059235113 745300151 /nfs/dbraw/zinc/30/01/51/745300151.db2.gz JLFUYAWJNDZJJW-OBJOEFQTSA-N 1 1 330.392 0.128 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000977622832 745309926 /nfs/dbraw/zinc/30/99/26/745309926.db2.gz SUAOPKXBPJASOO-CYBMUJFWSA-N 1 1 334.424 0.170 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2c(OC)ncnc2OC)C(C)(C)C1 ZINC000977643973 745327824 /nfs/dbraw/zinc/32/78/24/745327824.db2.gz YMGVCVZMMIKSTM-LBPRGKRZSA-N 1 1 332.404 0.957 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2c(OC)ncnc2OC)C(C)(C)C1 ZINC000977643973 745327832 /nfs/dbraw/zinc/32/78/32/745327832.db2.gz YMGVCVZMMIKSTM-LBPRGKRZSA-N 1 1 332.404 0.957 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027551776 745397257 /nfs/dbraw/zinc/39/72/57/745397257.db2.gz QQWGLWGSZUAXCH-CVEARBPZSA-N 1 1 341.415 0.662 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027552560 745406402 /nfs/dbraw/zinc/40/64/02/745406402.db2.gz XRLSABRNASYZDS-JKSUJKDBSA-N 1 1 341.415 0.662 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027552560 745406407 /nfs/dbraw/zinc/40/64/07/745406407.db2.gz XRLSABRNASYZDS-JKSUJKDBSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC000977731332 745448396 /nfs/dbraw/zinc/44/83/96/745448396.db2.gz JIZTYRBYUBNLQQ-UKRRQHHQSA-N 1 1 346.435 0.231 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)nc1 ZINC000977773305 745477173 /nfs/dbraw/zinc/47/71/73/745477173.db2.gz MSNLGQGVMWPRPZ-HZPDHXFCSA-N 1 1 340.427 0.688 20 30 ECEDMO CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1)C1CCCC1 ZINC001083413569 745489144 /nfs/dbraw/zinc/48/91/44/745489144.db2.gz VNCHMJWRULYXNZ-IXDOHACOSA-N 1 1 346.431 0.866 20 30 ECEDMO CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1)C1CCCC1 ZINC001083413568 745489163 /nfs/dbraw/zinc/48/91/63/745489163.db2.gz VNCHMJWRULYXNZ-IKGGRYGDSA-N 1 1 346.431 0.866 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3C)C2)nn1 ZINC001000429589 745493033 /nfs/dbraw/zinc/49/30/33/745493033.db2.gz SBXSAKSPSWLMNY-CYBMUJFWSA-N 1 1 344.423 0.377 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000977807021 745526808 /nfs/dbraw/zinc/52/68/08/745526808.db2.gz AKFUZCNJCJWNOL-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000977807021 745526810 /nfs/dbraw/zinc/52/68/10/745526810.db2.gz AKFUZCNJCJWNOL-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]1 ZINC001083414102 745531392 /nfs/dbraw/zinc/53/13/92/745531392.db2.gz LSQRPAZSEJCDHN-SJORKVTESA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]1 ZINC001083414102 745531398 /nfs/dbraw/zinc/53/13/98/745531398.db2.gz LSQRPAZSEJCDHN-SJORKVTESA-N 1 1 335.367 0.733 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCO3)[C@@H]2C1 ZINC000977844373 745554825 /nfs/dbraw/zinc/55/48/25/745554825.db2.gz ZQNVTSLHTLJYBZ-RVMXOQNASA-N 1 1 345.237 0.604 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)c1 ZINC001027568529 745594802 /nfs/dbraw/zinc/59/48/02/745594802.db2.gz LVFVICTWDBNLIX-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)c1 ZINC001027568529 745594803 /nfs/dbraw/zinc/59/48/03/745594803.db2.gz LVFVICTWDBNLIX-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CCOC1 ZINC000977921228 745650391 /nfs/dbraw/zinc/65/03/91/745650391.db2.gz QVYGUAHYNXWIOD-PMPSAXMXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CCOC1 ZINC000977921228 745650398 /nfs/dbraw/zinc/65/03/98/745650398.db2.gz QVYGUAHYNXWIOD-PMPSAXMXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)COC(C)C)C1 ZINC001059283761 745670221 /nfs/dbraw/zinc/67/02/21/745670221.db2.gz HXACWTIJVJRDRH-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)COC(C)C)C1 ZINC001059283761 745670224 /nfs/dbraw/zinc/67/02/24/745670224.db2.gz HXACWTIJVJRDRH-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc[nH]n1 ZINC000977925973 745679191 /nfs/dbraw/zinc/67/91/91/745679191.db2.gz IPMOPRXMYWXNBK-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cc[nH]n1 ZINC000977925973 745679193 /nfs/dbraw/zinc/67/91/93/745679193.db2.gz IPMOPRXMYWXNBK-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccn[nH]1 ZINC000977925973 745679195 /nfs/dbraw/zinc/67/91/95/745679195.db2.gz IPMOPRXMYWXNBK-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccn[nH]1 ZINC000977925973 745679198 /nfs/dbraw/zinc/67/91/98/745679198.db2.gz IPMOPRXMYWXNBK-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccccn1 ZINC000977926391 745679962 /nfs/dbraw/zinc/67/99/62/745679962.db2.gz JWCBAJUBMZIUAB-RDJZCZTQSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccccn1 ZINC000977926391 745679966 /nfs/dbraw/zinc/67/99/66/745679966.db2.gz JWCBAJUBMZIUAB-RDJZCZTQSA-N 1 1 340.427 0.852 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=O)NC2CC2)CC1 ZINC001000694522 745705370 /nfs/dbraw/zinc/70/53/70/745705370.db2.gz CYOHDGYCGPTHJS-SJORKVTESA-N 1 1 347.459 0.995 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001000694522 745705376 /nfs/dbraw/zinc/70/53/76/745705376.db2.gz CYOHDGYCGPTHJS-SJORKVTESA-N 1 1 347.459 0.995 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)c1 ZINC000977951965 745706699 /nfs/dbraw/zinc/70/66/99/745706699.db2.gz GZSQNMCUPRIFTC-ZSOGYDGISA-N 1 1 327.388 0.026 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([NH2+][C@H](C)c3nnnn3C)C2)nc1 ZINC001000731343 745730378 /nfs/dbraw/zinc/73/03/78/745730378.db2.gz CGBWNULUFJAZBW-OCCSQVGLSA-N 1 1 339.403 0.542 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2cnn(C)n2)CC1 ZINC001000790932 745767577 /nfs/dbraw/zinc/76/75/77/745767577.db2.gz KLKSXJOENPLUQS-KRWDZBQOSA-N 1 1 342.447 0.161 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2cnn(C)n2)CC1 ZINC001000790932 745767583 /nfs/dbraw/zinc/76/75/83/745767583.db2.gz KLKSXJOENPLUQS-KRWDZBQOSA-N 1 1 342.447 0.161 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2ncnn2C)CC1 ZINC001000791453 745768691 /nfs/dbraw/zinc/76/86/91/745768691.db2.gz NUBQFRFXEYGFQJ-INIZCTEOSA-N 1 1 342.447 0.161 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2ncnn2C)CC1 ZINC001000791453 745768694 /nfs/dbraw/zinc/76/86/94/745768694.db2.gz NUBQFRFXEYGFQJ-INIZCTEOSA-N 1 1 342.447 0.161 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001075807477 745814723 /nfs/dbraw/zinc/81/47/23/745814723.db2.gz DKWCSCOVAZURKA-SVGFKBNWSA-N 1 1 345.447 0.829 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001075807477 745814730 /nfs/dbraw/zinc/81/47/30/745814730.db2.gz DKWCSCOVAZURKA-SVGFKBNWSA-N 1 1 345.447 0.829 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)CC1 ZINC001000843784 745820560 /nfs/dbraw/zinc/82/05/60/745820560.db2.gz ZUGXHBYUEBUMCD-HNNXBMFYSA-N 1 1 328.416 0.839 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)n1 ZINC001059308825 745822490 /nfs/dbraw/zinc/82/24/90/745822490.db2.gz VIUYJUCKCDBQSA-KBUPBQIOSA-N 1 1 340.431 0.704 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001000847241 745823730 /nfs/dbraw/zinc/82/37/30/745823730.db2.gz QONRVJZGUJXLDF-UHFFFAOYSA-N 1 1 337.401 0.312 20 30 ECEDMO CCn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)nn1 ZINC000978061058 745842782 /nfs/dbraw/zinc/84/27/82/745842782.db2.gz LUYHRQQATGADKD-PHZGNYQRSA-N 1 1 339.403 0.606 20 30 ECEDMO CCn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)nn1 ZINC000978061058 745842788 /nfs/dbraw/zinc/84/27/88/745842788.db2.gz LUYHRQQATGADKD-PHZGNYQRSA-N 1 1 339.403 0.606 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC000978117824 745927967 /nfs/dbraw/zinc/92/79/67/745927967.db2.gz VOCQROIOWNWBRO-JONQDZQNSA-N 1 1 340.383 0.461 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001059337573 746007449 /nfs/dbraw/zinc/00/74/49/746007449.db2.gz LCBRVLSPIKQYIP-HNNXBMFYSA-N 1 1 325.453 0.884 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000984187063 746007973 /nfs/dbraw/zinc/00/79/73/746007973.db2.gz XPFHKWUEQULPHH-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000984187063 746007978 /nfs/dbraw/zinc/00/79/78/746007978.db2.gz XPFHKWUEQULPHH-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccn4nnnc34)[C@@H]2C1 ZINC000978203575 746036461 /nfs/dbraw/zinc/03/64/61/746036461.db2.gz MVNZDMOVGHACHV-QKDCVEJESA-N 1 1 326.404 0.998 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001115614 746088425 /nfs/dbraw/zinc/08/84/25/746088425.db2.gz VTYWYVYQQIPGAU-INIZCTEOSA-N 1 1 339.399 0.488 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001115614 746088429 /nfs/dbraw/zinc/08/84/29/746088429.db2.gz VTYWYVYQQIPGAU-INIZCTEOSA-N 1 1 339.399 0.488 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001115615 746089076 /nfs/dbraw/zinc/08/90/76/746089076.db2.gz VTYWYVYQQIPGAU-MRXNPFEDSA-N 1 1 339.399 0.488 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001115615 746089079 /nfs/dbraw/zinc/08/90/79/746089079.db2.gz VTYWYVYQQIPGAU-MRXNPFEDSA-N 1 1 339.399 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@H+](CC(=O)N3CCC3)CC2)c1 ZINC001001129712 746099214 /nfs/dbraw/zinc/09/92/14/746099214.db2.gz VFUJTLXEOZUEOE-UHFFFAOYSA-N 1 1 338.411 0.657 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@@H+](CC(=O)N3CCC3)CC2)c1 ZINC001001129712 746099219 /nfs/dbraw/zinc/09/92/19/746099219.db2.gz VFUJTLXEOZUEOE-UHFFFAOYSA-N 1 1 338.411 0.657 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC000978244565 746102620 /nfs/dbraw/zinc/10/26/20/746102620.db2.gz LKRBHHVIPJQLMG-FPCVCCKLSA-N 1 1 335.448 0.351 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC000978263464 746109254 /nfs/dbraw/zinc/10/92/54/746109254.db2.gz CUFMEXFMHOJDEP-PHZGNYQRSA-N 1 1 340.431 0.910 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC000978263464 746109257 /nfs/dbraw/zinc/10/92/57/746109257.db2.gz CUFMEXFMHOJDEP-PHZGNYQRSA-N 1 1 340.431 0.910 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCCN(C)C2=O)CC1 ZINC001001163421 746127531 /nfs/dbraw/zinc/12/75/31/746127531.db2.gz OTEYHSRSVVXHNW-ZACQAIPSSA-N 1 1 347.459 0.947 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3c3ncccn3)[C@@H]2C1 ZINC000978292879 746163272 /nfs/dbraw/zinc/16/32/72/746163272.db2.gz NPYCKPVKIPRLTC-WCXIOVBPSA-N 1 1 339.443 0.763 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001059350182 746163723 /nfs/dbraw/zinc/16/37/23/746163723.db2.gz QXSKPPSCOZBSMP-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H]3CCCNC3=O)C2)nn1 ZINC001027607270 746167826 /nfs/dbraw/zinc/16/78/26/746167826.db2.gz UVJMQCNMNAIKMD-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO[C@H]3c3nccn3C)[C@@H]2C1 ZINC000978297250 746168133 /nfs/dbraw/zinc/16/81/33/746168133.db2.gz XDOFXWDTXPGHHC-OVYGPGRDSA-N 1 1 342.443 0.815 20 30 ECEDMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001211944827 752067869 /nfs/dbraw/zinc/06/78/69/752067869.db2.gz LCCOQRDGZIKOMQ-HUUCEWRRSA-N 1 1 346.387 0.230 20 30 ECEDMO COC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001211944827 752067872 /nfs/dbraw/zinc/06/78/72/752067872.db2.gz LCCOQRDGZIKOMQ-HUUCEWRRSA-N 1 1 346.387 0.230 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001027612221 746207842 /nfs/dbraw/zinc/20/78/42/746207842.db2.gz DVAGLEOJGGJZEA-JZLYGMAVSA-N 1 1 334.420 0.474 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001027612555 746211420 /nfs/dbraw/zinc/21/14/20/746211420.db2.gz KYKXEFOQRVBPNT-BRWVUGGUSA-N 1 1 330.432 0.844 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001001253820 746212010 /nfs/dbraw/zinc/21/20/10/746212010.db2.gz CXSVSPPGUBBFQD-OAHLLOKOSA-N 1 1 341.477 0.735 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087707788 746218456 /nfs/dbraw/zinc/21/84/56/746218456.db2.gz HLAJSLUAUCOZKJ-MELADBBJSA-N 1 1 347.444 0.770 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1CC ZINC001087757118 746290665 /nfs/dbraw/zinc/29/06/65/746290665.db2.gz BXTGCZNAAUHGSD-LSDHHAIUSA-N 1 1 348.451 0.724 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC001001360024 746307421 /nfs/dbraw/zinc/30/74/21/746307421.db2.gz OOHPVUDFESRHCF-HNNXBMFYSA-N 1 1 329.404 0.625 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnon3)[C@H]2CC)C1=O ZINC001087768478 746308736 /nfs/dbraw/zinc/30/87/36/746308736.db2.gz FCZFSROYIWJPEJ-YUTCNCBUSA-N 1 1 333.392 0.439 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnon3)[C@H]2CC)C1=O ZINC001087768478 746308743 /nfs/dbraw/zinc/30/87/43/746308743.db2.gz FCZFSROYIWJPEJ-YUTCNCBUSA-N 1 1 333.392 0.439 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3OCC(N)=O)[C@@H]2C1 ZINC000978420482 746320123 /nfs/dbraw/zinc/32/01/23/746320123.db2.gz FKGHHJYWCQGGPC-PHZGNYQRSA-N 1 1 341.411 0.482 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@@H](CC)C(N)=O)CC2)nc1 ZINC001001383292 746329277 /nfs/dbraw/zinc/32/92/77/746329277.db2.gz HZQPRSDSKCIEIQ-INIZCTEOSA-N 1 1 326.400 0.689 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cccnn3)C2)C1=O ZINC001027624300 746336473 /nfs/dbraw/zinc/33/64/73/746336473.db2.gz DGRSACWMXVXGSP-GDBMZVCRSA-N 1 1 343.431 0.800 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1CC ZINC001087784421 746336839 /nfs/dbraw/zinc/33/68/39/746336839.db2.gz DKVSHEZPYBEWKX-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1CC ZINC001087785787 746338012 /nfs/dbraw/zinc/33/80/12/746338012.db2.gz WHVOQJQRKPVZNG-NWDGAFQWSA-N 1 1 342.827 0.650 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1CC ZINC001087785787 746338018 /nfs/dbraw/zinc/33/80/18/746338018.db2.gz WHVOQJQRKPVZNG-NWDGAFQWSA-N 1 1 342.827 0.650 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001001459100 746399167 /nfs/dbraw/zinc/39/91/67/746399167.db2.gz RRASGDSQGNNLBZ-KRWDZBQOSA-N 1 1 335.448 0.948 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@H]1CC ZINC001087818412 746402075 /nfs/dbraw/zinc/40/20/75/746402075.db2.gz QYSVKXLCJYOTOS-UONOGXRCSA-N 1 1 326.404 0.957 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3CC(F)F)[C@@H]2C1 ZINC000978525587 746404757 /nfs/dbraw/zinc/40/47/57/746404757.db2.gz KTXXVYWUZJARED-APIJFGDWSA-N 1 1 343.418 0.822 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1CC ZINC001087822788 746413307 /nfs/dbraw/zinc/41/33/07/746413307.db2.gz KAFAMZGIAVKGTG-NWDGAFQWSA-N 1 1 327.812 0.857 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1CC ZINC001087822788 746413313 /nfs/dbraw/zinc/41/33/13/746413313.db2.gz KAFAMZGIAVKGTG-NWDGAFQWSA-N 1 1 327.812 0.857 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nc3[C@@H]3CCOC3)[C@@H]2C1 ZINC000978559321 746440398 /nfs/dbraw/zinc/44/03/98/746440398.db2.gz UXGIROXNKGCTNA-TUVASFSCSA-N 1 1 328.416 0.465 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CCN(CC(F)F)CC3)[C@@H]2C1 ZINC000978642517 746534905 /nfs/dbraw/zinc/53/49/05/746534905.db2.gz VKRYILJUTOVQHE-QKDCVEJESA-N 1 1 325.403 0.891 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)ccc1F ZINC001041986529 782553030 /nfs/dbraw/zinc/55/30/30/782553030.db2.gz RRHBODAPJUXRDT-CJNGLKHVSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)cc1 ZINC000978677878 746574269 /nfs/dbraw/zinc/57/42/69/746574269.db2.gz WACHZEXUWFECNJ-JONQDZQNSA-N 1 1 339.399 0.034 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978697933 746593099 /nfs/dbraw/zinc/59/30/99/746593099.db2.gz PHKBRKLJLZSNNU-DDHJSBNISA-N 1 1 343.431 0.709 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H]3CCNC3=O)C2)nc1 ZINC001027656055 746594144 /nfs/dbraw/zinc/59/41/44/746594144.db2.gz JIONPYIPVQOYCC-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1 ZINC001001701517 746616518 /nfs/dbraw/zinc/61/65/18/746616518.db2.gz YQOIXSUEYSLAMJ-LUYZLQTOSA-N 1 1 341.415 0.842 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC000978717407 746618070 /nfs/dbraw/zinc/61/80/70/746618070.db2.gz LSTUMPXQVKBLCY-MTSZKFMLSA-N 1 1 347.459 0.492 20 30 ECEDMO C#CCCCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059397069 746623291 /nfs/dbraw/zinc/62/32/91/746623291.db2.gz LLRWQMXHSRIWTQ-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059397069 746623295 /nfs/dbraw/zinc/62/32/95/746623295.db2.gz LLRWQMXHSRIWTQ-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000978731788 746644614 /nfs/dbraw/zinc/64/46/14/746644614.db2.gz KJMQKEDWXSDMAF-RJZRQDKASA-N 1 1 343.431 0.851 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087939015 746688536 /nfs/dbraw/zinc/68/85/36/746688536.db2.gz VYNQLWQIDFRRMK-UPJWGTAASA-N 1 1 329.404 0.415 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@@H](C)O)C[C@H]32)cc1 ZINC000978810462 746731630 /nfs/dbraw/zinc/73/16/30/746731630.db2.gz YLAMOFCXBVYYNL-PILAGYSTSA-N 1 1 328.412 0.987 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001087959888 746747749 /nfs/dbraw/zinc/74/77/49/746747749.db2.gz SMDACHLVRBWQMG-SJORKVTESA-N 1 1 329.444 0.803 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)c3ncn[nH]3)CC2)C1=O ZINC001001953043 746836560 /nfs/dbraw/zinc/83/65/60/746836560.db2.gz QFCFDHOEMYYZDR-ZDUSSCGKSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)c3nc[nH]n3)CC2)C1=O ZINC001001953043 746836566 /nfs/dbraw/zinc/83/65/66/746836566.db2.gz QFCFDHOEMYYZDR-ZDUSSCGKSA-N 1 1 332.408 0.033 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978905668 746864803 /nfs/dbraw/zinc/86/48/03/746864803.db2.gz NWGLOGCGRBRJSB-YHUYYLMFSA-N 1 1 343.431 0.246 20 30 ECEDMO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ncn[nH]3)C2)cc1C#N ZINC001020781146 752135651 /nfs/dbraw/zinc/13/56/51/752135651.db2.gz FFIWXWKVHTXQTI-JOCQHMNTSA-N 1 1 326.360 0.736 20 30 ECEDMO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)cc1C#N ZINC001020781146 752135655 /nfs/dbraw/zinc/13/56/55/752135655.db2.gz FFIWXWKVHTXQTI-JOCQHMNTSA-N 1 1 326.360 0.736 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC000978953145 746947579 /nfs/dbraw/zinc/94/75/79/746947579.db2.gz LLJBHKXPPUNUPO-UAGQMJEPSA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC000978953145 746947583 /nfs/dbraw/zinc/94/75/83/746947583.db2.gz LLJBHKXPPUNUPO-UAGQMJEPSA-N 1 1 342.443 0.747 20 30 ECEDMO N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001059446481 746983419 /nfs/dbraw/zinc/98/34/19/746983419.db2.gz WZVMQVASFKNCLF-FPCVCCKLSA-N 1 1 341.415 0.876 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978992177 747003997 /nfs/dbraw/zinc/00/39/97/747003997.db2.gz DSGABDUUKJAZLT-BJJXKVORSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007161631 752143451 /nfs/dbraw/zinc/14/34/51/752143451.db2.gz IAFCDHSQJOULBM-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007161631 752143452 /nfs/dbraw/zinc/14/34/52/752143452.db2.gz IAFCDHSQJOULBM-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)c[nH]1 ZINC001007162260 752144346 /nfs/dbraw/zinc/14/43/46/752144346.db2.gz JCCLRQOQFGCRGE-ZDUSSCGKSA-N 1 1 343.387 0.230 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCN3C(=O)CCC3=O)C2)c[nH]1 ZINC001007162260 752144353 /nfs/dbraw/zinc/14/43/53/752144353.db2.gz JCCLRQOQFGCRGE-ZDUSSCGKSA-N 1 1 343.387 0.230 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@H]32)cn1 ZINC000979021146 747049143 /nfs/dbraw/zinc/04/91/43/747049143.db2.gz SQVPLVFEJPVDMM-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@H]32)cn1 ZINC000979021146 747049150 /nfs/dbraw/zinc/04/91/50/747049150.db2.gz SQVPLVFEJPVDMM-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c(C)nc[nH]c3=O)C[C@@H]2C1 ZINC001088025125 747094355 /nfs/dbraw/zinc/09/43/55/747094355.db2.gz REYRCLDPZRNARB-CABCVRRESA-N 1 1 328.416 0.837 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)O1 ZINC001059461519 747128188 /nfs/dbraw/zinc/12/81/88/747128188.db2.gz MBQNBUNMBNSLIH-RAEVTNRLSA-N 1 1 329.404 0.731 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)O1 ZINC001059461519 747128193 /nfs/dbraw/zinc/12/81/93/747128193.db2.gz MBQNBUNMBNSLIH-RAEVTNRLSA-N 1 1 329.404 0.731 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000979079219 747131526 /nfs/dbraw/zinc/13/15/26/747131526.db2.gz BJFXVWQFNVBALC-OAGGEKHMSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(-n4cnnn4)c3)[C@@H]2C1 ZINC000979085042 747151011 /nfs/dbraw/zinc/15/10/11/747151011.db2.gz NQPKWCQVLNBWIV-OSYLJGHBSA-N 1 1 336.399 0.593 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001029511176 747206685 /nfs/dbraw/zinc/20/66/85/747206685.db2.gz AILDTEVEMQFBDX-NNXHMXCWSA-N 1 1 347.459 0.874 20 30 ECEDMO CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)CCc1nc[nH]n1)CCO2 ZINC001105466607 752178127 /nfs/dbraw/zinc/17/81/27/752178127.db2.gz YUDPYRDEBYBABR-UHFFFAOYSA-N 1 1 345.447 0.890 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001088112724 747412359 /nfs/dbraw/zinc/41/23/59/747412359.db2.gz UTMZZRKZPMSGON-QXSJWSMHSA-N 1 1 335.448 0.446 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)cn2)C1 ZINC001105410337 747450874 /nfs/dbraw/zinc/45/08/74/747450874.db2.gz VHEOHCZYHWGCHO-HNNXBMFYSA-N 1 1 331.420 0.569 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)cn2)C1 ZINC001105410337 747450879 /nfs/dbraw/zinc/45/08/79/747450879.db2.gz VHEOHCZYHWGCHO-HNNXBMFYSA-N 1 1 331.420 0.569 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)nc1 ZINC001029558830 747505890 /nfs/dbraw/zinc/50/58/90/747505890.db2.gz XQLISCFJKUSGNT-IYBDPMFKSA-N 1 1 336.399 0.643 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)nc1 ZINC001029558830 747505895 /nfs/dbraw/zinc/50/58/95/747505895.db2.gz XQLISCFJKUSGNT-IYBDPMFKSA-N 1 1 336.399 0.643 20 30 ECEDMO C[C@H]([NH2+]Cc1cnon1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979300002 747542871 /nfs/dbraw/zinc/54/28/71/747542871.db2.gz ZKTBFSYZWVKDCV-IINYFYTJSA-N 1 1 330.348 0.289 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088163889 747561017 /nfs/dbraw/zinc/56/10/17/747561017.db2.gz LCPBKHKWGBVXTR-QLFBSQMISA-N 1 1 331.420 0.819 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001002613779 747573598 /nfs/dbraw/zinc/57/35/98/747573598.db2.gz RPGXUHVTZLWPEB-INIZCTEOSA-N 1 1 330.432 0.957 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)nn1 ZINC001105342515 747580450 /nfs/dbraw/zinc/58/04/50/747580450.db2.gz IOLXBQOMNOFLEC-GOEBONIOSA-N 1 1 343.435 0.291 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCOCC2)CC1 ZINC001002627370 747589683 /nfs/dbraw/zinc/58/96/83/747589683.db2.gz QMPVVWPKZDMYMP-UHFFFAOYSA-N 1 1 342.443 0.971 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979315582 747626302 /nfs/dbraw/zinc/62/63/02/747626302.db2.gz SARUGZZXOJSTRG-RJZRQDKASA-N 1 1 343.431 0.709 20 30 ECEDMO CCn1c(C)nnc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979332017 747655875 /nfs/dbraw/zinc/65/58/75/747655875.db2.gz KVIAFOCZYLZFAX-BBRMVZONSA-N 1 1 345.447 0.725 20 30 ECEDMO CC(C)n1ncnc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979332908 747657621 /nfs/dbraw/zinc/65/76/21/747657621.db2.gz MJDFKBCVNDUTKN-GOEBONIOSA-N 1 1 345.447 0.978 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)CC[C@@H]2C1 ZINC001088183734 747693488 /nfs/dbraw/zinc/69/34/88/747693488.db2.gz TXMGILYNYYIGAW-MSOLQXFVSA-N 1 1 339.439 0.737 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]Cc3cn(C)nn3)C2)C1 ZINC000979380177 747708092 /nfs/dbraw/zinc/70/80/92/747708092.db2.gz PKWADPWLTJUNHJ-DZGCQCFKSA-N 1 1 333.436 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccncc2)C1 ZINC000979394641 747729035 /nfs/dbraw/zinc/72/90/35/747729035.db2.gz HSXQJXANGWKTPR-XIRDDKMYSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccncc2)C1 ZINC000979394641 747729041 /nfs/dbraw/zinc/72/90/41/747729041.db2.gz HSXQJXANGWKTPR-XIRDDKMYSA-N 1 1 340.427 0.804 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088205016 747741604 /nfs/dbraw/zinc/74/16/04/747741604.db2.gz YCQPYZJHTKXKJI-QLFBSQMISA-N 1 1 341.477 0.425 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCOCC3)C[C@@H]2C1 ZINC001088208802 747750710 /nfs/dbraw/zinc/75/07/10/747750710.db2.gz SASMHEUQWGWYRD-QYZOEREBSA-N 1 1 345.487 0.901 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001002773163 747764337 /nfs/dbraw/zinc/76/43/37/747764337.db2.gz VIAKQINEXDSELN-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001002773163 747764340 /nfs/dbraw/zinc/76/43/40/747764340.db2.gz VIAKQINEXDSELN-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001002773165 747764420 /nfs/dbraw/zinc/76/44/20/747764420.db2.gz VIAKQINEXDSELN-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001002773165 747764425 /nfs/dbraw/zinc/76/44/25/747764425.db2.gz VIAKQINEXDSELN-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3COCCO3)CC2)C1 ZINC001088229305 747779536 /nfs/dbraw/zinc/77/95/36/747779536.db2.gz NHNXCWXOAZQCEX-IAGOWNOFSA-N 1 1 336.432 0.365 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cnn(C)c3N)CC2)C1 ZINC001088231127 747784629 /nfs/dbraw/zinc/78/46/29/747784629.db2.gz IZJQUJZKZVEVMS-OAHLLOKOSA-N 1 1 345.447 0.579 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)c1cncc(C#N)n1 ZINC001112181544 747788937 /nfs/dbraw/zinc/78/89/37/747788937.db2.gz RCGALEZYPMIADM-HIFRSBDPSA-N 1 1 330.436 0.831 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001088235168 747814594 /nfs/dbraw/zinc/81/45/94/747814594.db2.gz LPOMAORUEHTVOL-JKSUJKDBSA-N 1 1 333.432 0.085 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001088235295 747815209 /nfs/dbraw/zinc/81/52/09/747815209.db2.gz OABOCSYAHWPHER-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccncc2F)C1 ZINC001002828752 747844193 /nfs/dbraw/zinc/84/41/93/747844193.db2.gz GPKJPKQEQMMUAT-INIZCTEOSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccncc2F)C1 ZINC001002828752 747844207 /nfs/dbraw/zinc/84/42/07/747844207.db2.gz GPKJPKQEQMMUAT-INIZCTEOSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cscn2)C1 ZINC001002829355 747845296 /nfs/dbraw/zinc/84/52/96/747845296.db2.gz KQHVKWDWWFIJJM-AWEZNQCLSA-N 1 1 332.429 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cscn2)C1 ZINC001002829355 747845303 /nfs/dbraw/zinc/84/53/03/747845303.db2.gz KQHVKWDWWFIJJM-AWEZNQCLSA-N 1 1 332.429 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCOC2)C1 ZINC001002830383 747847153 /nfs/dbraw/zinc/84/71/53/747847153.db2.gz QYCCGPSCXJCZHK-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCOC2)C1 ZINC001002830383 747847158 /nfs/dbraw/zinc/84/71/58/747847158.db2.gz QYCCGPSCXJCZHK-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC[C@@H]2CCOC2)C1 ZINC001002830796 747848476 /nfs/dbraw/zinc/84/84/76/747848476.db2.gz VOVAAHRSHUOLPW-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC[C@@H]2CCOC2)C1 ZINC001002830796 747848484 /nfs/dbraw/zinc/84/84/84/747848484.db2.gz VOVAAHRSHUOLPW-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000985390877 747882136 /nfs/dbraw/zinc/88/21/36/747882136.db2.gz KQZTTXFHLFRKHQ-HNNXBMFYSA-N 1 1 329.404 0.653 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001027804413 747915081 /nfs/dbraw/zinc/91/50/81/747915081.db2.gz AMWFNKJQOSAOPO-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@H](O)C(C)C)CC2)C1=O ZINC000985413874 747933083 /nfs/dbraw/zinc/93/30/83/747933083.db2.gz SFJRJZMUYPSGAR-JKSUJKDBSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001088240156 747943023 /nfs/dbraw/zinc/94/30/23/747943023.db2.gz QJCKZXYWARENNL-OAHLLOKOSA-N 1 1 333.436 0.863 20 30 ECEDMO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@H]1COC(=O)N1 ZINC001007255749 752225991 /nfs/dbraw/zinc/22/59/91/752225991.db2.gz BNLSGHICFQXOJV-JKSUJKDBSA-N 1 1 327.384 0.727 20 30 ECEDMO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1COC(=O)N1 ZINC001007255749 752225996 /nfs/dbraw/zinc/22/59/96/752225996.db2.gz BNLSGHICFQXOJV-JKSUJKDBSA-N 1 1 327.384 0.727 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)C3=COCCO3)C2)C1=O ZINC001029637770 747944645 /nfs/dbraw/zinc/94/46/45/747944645.db2.gz HMUPSKMIPVBXPW-HUUCEWRRSA-N 1 1 349.431 0.442 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)C3=COCCO3)C2)C1=O ZINC001029637762 747944787 /nfs/dbraw/zinc/94/47/87/747944787.db2.gz HMUPSKMIPVBXPW-CABCVRRESA-N 1 1 349.431 0.442 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001029641753 747960378 /nfs/dbraw/zinc/96/03/78/747960378.db2.gz PBUPUWJXTOHQAB-INIZCTEOSA-N 1 1 339.403 0.525 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059547566 747967222 /nfs/dbraw/zinc/96/72/22/747967222.db2.gz OUEMVCKNIJRJKT-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059547566 747967227 /nfs/dbraw/zinc/96/72/27/747967227.db2.gz OUEMVCKNIJRJKT-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000985456127 748089882 /nfs/dbraw/zinc/08/98/82/748089882.db2.gz BRLYEDDDDFYTFZ-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001003046751 748113755 /nfs/dbraw/zinc/11/37/55/748113755.db2.gz FFLSFJWXSXOPDW-SJORKVTESA-N 1 1 346.475 0.143 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001075855100 748145982 /nfs/dbraw/zinc/14/59/82/748145982.db2.gz CSDRCZQHORDQTH-ARFHVFGLSA-N 1 1 333.432 0.037 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001029725382 748162625 /nfs/dbraw/zinc/16/26/25/748162625.db2.gz ZICDPFJAGYGZKH-JKSUJKDBSA-N 1 1 342.399 0.947 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001075855993 748184508 /nfs/dbraw/zinc/18/45/08/748184508.db2.gz YWDYXWDWAMNPFS-ARFHVFGLSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(CCOC)nn3)C[C@H]2C1 ZINC000979666019 748188392 /nfs/dbraw/zinc/18/83/92/748188392.db2.gz ABNAQOKOSRDHQD-KKUMJFAQSA-N 1 1 331.420 0.388 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001029738117 748193580 /nfs/dbraw/zinc/19/35/80/748193580.db2.gz UJLGNOCTVORRBG-MRXNPFEDSA-N 1 1 339.403 0.525 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCNC2=O)[nH]1 ZINC001027830388 748262022 /nfs/dbraw/zinc/26/20/22/748262022.db2.gz ARUAZCQQSWSRRZ-CYBMUJFWSA-N 1 1 330.392 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nonc2C)C1 ZINC001029757974 748269662 /nfs/dbraw/zinc/26/96/62/748269662.db2.gz NBBYNAHFNHQWBO-RDJZCZTQSA-N 1 1 345.447 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2cnsn2)C1 ZINC001029757854 748269776 /nfs/dbraw/zinc/26/97/76/748269776.db2.gz JQWNXICLHKSPJW-ZBFHGGJFSA-N 1 1 347.488 0.916 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2cnsn2)C1 ZINC001029757854 748269778 /nfs/dbraw/zinc/26/97/78/748269778.db2.gz JQWNXICLHKSPJW-ZBFHGGJFSA-N 1 1 347.488 0.916 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC000985493940 748283268 /nfs/dbraw/zinc/28/32/68/748283268.db2.gz YGGWXWYMBKQDJI-UHFFFAOYSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cncnc2)C1=O ZINC001027838380 748425190 /nfs/dbraw/zinc/42/51/90/748425190.db2.gz AQQOVNFFVLBRFH-LSDHHAIUSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cncnc2)C1=O ZINC001027838380 748425196 /nfs/dbraw/zinc/42/51/96/748425196.db2.gz AQQOVNFFVLBRFH-LSDHHAIUSA-N 1 1 329.404 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC000979851996 748553914 /nfs/dbraw/zinc/55/39/14/748553914.db2.gz UWTXPOGWVVSJAA-KKUMJFAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC000979851996 748553922 /nfs/dbraw/zinc/55/39/22/748553922.db2.gz UWTXPOGWVVSJAA-KKUMJFAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000979854747 748557125 /nfs/dbraw/zinc/55/71/25/748557125.db2.gz YGQNCUBMITUSQN-WOYTXXSLSA-N 1 1 349.475 0.930 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001059587320 748616421 /nfs/dbraw/zinc/61/64/21/748616421.db2.gz PTQKOBIUDQXFOO-QLFBSQMISA-N 1 1 329.404 0.651 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001059587320 748616426 /nfs/dbraw/zinc/61/64/26/748616426.db2.gz PTQKOBIUDQXFOO-QLFBSQMISA-N 1 1 329.404 0.651 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001059587229 748617648 /nfs/dbraw/zinc/61/76/48/748617648.db2.gz MBTHBIMBBNOAQE-IJEWVQPXSA-N 1 1 329.404 0.073 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001059587229 748617650 /nfs/dbraw/zinc/61/76/50/748617650.db2.gz MBTHBIMBBNOAQE-IJEWVQPXSA-N 1 1 329.404 0.073 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]nc2C)C1 ZINC001003520737 748639613 /nfs/dbraw/zinc/63/96/13/748639613.db2.gz WIAUSEDUKTZZBB-HNNXBMFYSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]nc2C)C1 ZINC001003520737 748639618 /nfs/dbraw/zinc/63/96/18/748639618.db2.gz WIAUSEDUKTZZBB-HNNXBMFYSA-N 1 1 329.404 0.004 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC000979975736 748751646 /nfs/dbraw/zinc/75/16/46/748751646.db2.gz BLYUWMHEDPELJR-YESZJQIVSA-N 1 1 348.491 0.553 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC000979983188 748777620 /nfs/dbraw/zinc/77/76/20/748777620.db2.gz TXXVSDVOQJNBCJ-YESZJQIVSA-N 1 1 346.475 0.000 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)s1 ZINC001027861181 748798782 /nfs/dbraw/zinc/79/87/82/748798782.db2.gz RUGIIMWDUOVBPN-GXFFZTMASA-N 1 1 334.401 0.809 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)s1 ZINC001027861181 748798787 /nfs/dbraw/zinc/79/87/87/748798787.db2.gz RUGIIMWDUOVBPN-GXFFZTMASA-N 1 1 334.401 0.809 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ncccn3)C2)nn1 ZINC001029859353 748948075 /nfs/dbraw/zinc/94/80/75/748948075.db2.gz BPFDZUIIWFPEDU-AWEZNQCLSA-N 1 1 341.419 0.848 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ncccn3)C2)nn1 ZINC001029859353 748948079 /nfs/dbraw/zinc/94/80/79/748948079.db2.gz BPFDZUIIWFPEDU-AWEZNQCLSA-N 1 1 341.419 0.848 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ncccn3)C2)nn1 ZINC001029859354 748948227 /nfs/dbraw/zinc/94/82/27/748948227.db2.gz BPFDZUIIWFPEDU-CQSZACIVSA-N 1 1 341.419 0.848 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3ncccn3)C2)nn1 ZINC001029859354 748948232 /nfs/dbraw/zinc/94/82/32/748948232.db2.gz BPFDZUIIWFPEDU-CQSZACIVSA-N 1 1 341.419 0.848 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027878512 748982250 /nfs/dbraw/zinc/98/22/50/748982250.db2.gz DDEBKBNPGLDMKJ-KGLIPLIRSA-N 1 1 329.404 0.367 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCC1CN(C(=O)C#CC3CC3)C1)CC2 ZINC001003905911 749029413 /nfs/dbraw/zinc/02/94/13/749029413.db2.gz YDADUEMAJXPYSZ-MRXNPFEDSA-N 1 1 340.427 0.742 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000985773896 749063321 /nfs/dbraw/zinc/06/33/21/749063321.db2.gz QTOAEGNZNLJUDN-INIZCTEOSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001059644297 749077510 /nfs/dbraw/zinc/07/75/10/749077510.db2.gz NQHUHGIRCGDJCC-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC000980170094 749106398 /nfs/dbraw/zinc/10/63/98/749106398.db2.gz YAEHYZCNDVTRMT-KKUMJFAQSA-N 1 1 346.431 0.742 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001059648455 749114671 /nfs/dbraw/zinc/11/46/71/749114671.db2.gz SSOSBPPGPHEFLU-HOTGVXAUSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nnnc3C(C)C)C[C@H]2C1 ZINC000980181357 749118002 /nfs/dbraw/zinc/11/80/02/749118002.db2.gz DAKCVESSBJBECJ-SOUVJXGZSA-N 1 1 330.436 0.646 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1ccncc1C#N ZINC001126255015 749155429 /nfs/dbraw/zinc/15/54/29/749155429.db2.gz RSIKZKCNLXDXAL-INIZCTEOSA-N 1 1 331.420 0.616 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000980219785 749216436 /nfs/dbraw/zinc/21/64/36/749216436.db2.gz ONGDTTVZBFUBMA-RRFJBIMHSA-N 1 1 346.431 0.168 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC000980230083 749225956 /nfs/dbraw/zinc/22/59/56/749225956.db2.gz KGSUZKOKZGWYAD-ARFHVFGLSA-N 1 1 347.463 0.683 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000980248596 749237711 /nfs/dbraw/zinc/23/77/11/749237711.db2.gz UUBIENLCPLGJJE-BFHYXJOUSA-N 1 1 334.420 0.331 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)C[C@@H]2C1 ZINC000980237531 749240491 /nfs/dbraw/zinc/24/04/91/749240491.db2.gz RGVKDHWPOHVYRK-ZNMIVQPWSA-N 1 1 328.416 0.634 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000980237844 749240697 /nfs/dbraw/zinc/24/06/97/749240697.db2.gz SUNHWDKBILAXQE-MJBXVCDLSA-N 1 1 346.431 0.167 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC000980253950 749260725 /nfs/dbraw/zinc/26/07/25/749260725.db2.gz OBHIOJHOWWKFGN-SOUVJXGZSA-N 1 1 331.416 0.375 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001060292869 761934073 /nfs/dbraw/zinc/93/40/73/761934073.db2.gz YSYTWFSTOZXZHP-QWHCGFSZSA-N 1 1 347.419 0.864 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC000980263006 749270087 /nfs/dbraw/zinc/27/00/87/749270087.db2.gz IXSQOPOUQBHJBW-HIFRSBDPSA-N 1 1 329.466 0.567 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC001004198870 749305188 /nfs/dbraw/zinc/30/51/88/749305188.db2.gz KHJCMCFLQJBDER-CXAGYDPISA-N 1 1 340.427 0.449 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000980322329 749355866 /nfs/dbraw/zinc/35/58/66/749355866.db2.gz LEISSVYFURUBTL-NSHDSACASA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000980322329 749355869 /nfs/dbraw/zinc/35/58/69/749355869.db2.gz LEISSVYFURUBTL-NSHDSACASA-N 1 1 342.827 0.602 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088461074 749474220 /nfs/dbraw/zinc/47/42/20/749474220.db2.gz QEUOHIUWQLRUAV-DOMZBBRYSA-N 1 1 325.376 0.324 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccnc(C)n3)C2)C1=O ZINC000980425680 749551717 /nfs/dbraw/zinc/55/17/17/749551717.db2.gz DNHKZJRCHONTPR-HOCLYGCPSA-N 1 1 343.431 0.718 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn(C)c(=O)cn2)CC1 ZINC001004492408 749564356 /nfs/dbraw/zinc/56/43/56/749564356.db2.gz ZZHACSXIYXYQEE-MRXNPFEDSA-N 1 1 328.416 0.730 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)n1 ZINC000986132939 749601102 /nfs/dbraw/zinc/60/11/02/749601102.db2.gz LQADUADYJKEKOG-RISCZKNCSA-N 1 1 327.392 0.891 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001004542772 749607203 /nfs/dbraw/zinc/60/72/03/749607203.db2.gz XELGZPFGTMSPRZ-CABCVRRESA-N 1 1 332.404 0.357 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000986189896 749648565 /nfs/dbraw/zinc/64/85/65/749648565.db2.gz YFACRWZYIYZQGG-SMDDNHRTSA-N 1 1 327.392 0.891 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001004577098 749650960 /nfs/dbraw/zinc/65/09/60/749650960.db2.gz PJGRICVPLYHPRT-MRXNPFEDSA-N 1 1 345.443 0.766 20 30 ECEDMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000980510502 749658766 /nfs/dbraw/zinc/65/87/66/749658766.db2.gz YWONRDFVWPCABC-MNOVXSKESA-N 1 1 328.380 0.050 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cnnn1CC ZINC001027942585 749666550 /nfs/dbraw/zinc/66/65/50/749666550.db2.gz DWDJWMMNNYPRHR-WBVHZDCISA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cnnn1CC ZINC001027942585 749666552 /nfs/dbraw/zinc/66/65/52/749666552.db2.gz DWDJWMMNNYPRHR-WBVHZDCISA-N 1 1 344.463 0.476 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC000986367635 749857980 /nfs/dbraw/zinc/85/79/80/749857980.db2.gz XYTKSPQKZGSCHH-STQMWFEESA-N 1 1 329.408 0.590 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088495353 749988356 /nfs/dbraw/zinc/98/83/56/749988356.db2.gz PARYXKCPWVLMLN-UHOFOFEASA-N 1 1 326.400 0.916 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1C ZINC001004880886 749991234 /nfs/dbraw/zinc/99/12/34/749991234.db2.gz ZLFKNIDWQGIIPM-XJKSGUPXSA-N 1 1 328.416 0.958 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(CC)c3)[C@H]2C)C1=O ZINC001088499035 750002893 /nfs/dbraw/zinc/00/28/93/750002893.db2.gz GPTBSHDXVOVYTH-KBMXLJTQSA-N 1 1 345.447 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CC)c3)[C@H]2C)C1=O ZINC001088499035 750002899 /nfs/dbraw/zinc/00/28/99/750002899.db2.gz GPTBSHDXVOVYTH-KBMXLJTQSA-N 1 1 345.447 0.883 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001058848083 750124521 /nfs/dbraw/zinc/12/45/21/750124521.db2.gz ZSWUHJOOELBELF-CQSZACIVSA-N 1 1 337.464 0.622 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058848446 750158402 /nfs/dbraw/zinc/15/84/02/750158402.db2.gz FVMMLEPKZIMTSY-HUUCEWRRSA-N 1 1 339.480 0.724 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001058849452 750172045 /nfs/dbraw/zinc/17/20/45/750172045.db2.gz UTLUURDPIVDUGV-LSDHHAIUSA-N 1 1 339.480 0.724 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111599730 762014814 /nfs/dbraw/zinc/01/48/14/762014814.db2.gz DCQORARMUJHLSG-BBRMVZONSA-N 1 1 336.461 0.516 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111599730 762014825 /nfs/dbraw/zinc/01/48/25/762014825.db2.gz DCQORARMUJHLSG-BBRMVZONSA-N 1 1 336.461 0.516 20 30 ECEDMO C=CCOCC(=O)NCCN(CCO)C(=O)C[N@H+](C)CC(C)(C)C ZINC001058850355 750194199 /nfs/dbraw/zinc/19/41/99/750194199.db2.gz NTDKNFVOGRBLBY-UHFFFAOYSA-N 1 1 343.468 0.104 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNc2cncc(C#N)n2)C1 ZINC001114946577 750238208 /nfs/dbraw/zinc/23/82/08/750238208.db2.gz PJMQECDOVDBVOT-DZGCQCFKSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNc2cncc(C#N)n2)C1 ZINC001114946577 750238213 /nfs/dbraw/zinc/23/82/13/750238213.db2.gz PJMQECDOVDBVOT-DZGCQCFKSA-N 1 1 346.435 0.766 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001027999648 750282165 /nfs/dbraw/zinc/28/21/65/750282165.db2.gz MFGASSFAECTVIE-ZDUSSCGKSA-N 1 1 328.372 0.630 20 30 ECEDMO C=C(Br)CN1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980894251 750316042 /nfs/dbraw/zinc/31/60/42/750316042.db2.gz UYLFWSPZFYVTTI-CYBMUJFWSA-N 1 1 346.269 0.760 20 30 ECEDMO C=C(Br)CN1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980894251 750316048 /nfs/dbraw/zinc/31/60/48/750316048.db2.gz UYLFWSPZFYVTTI-CYBMUJFWSA-N 1 1 346.269 0.760 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN2CCCC2)CC1 ZINC001168162065 750385978 /nfs/dbraw/zinc/38/59/78/750385978.db2.gz DVYXBKSTNONSFY-HNNXBMFYSA-N 1 1 336.480 0.649 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000980991478 750425853 /nfs/dbraw/zinc/42/58/53/750425853.db2.gz MVWZFYWMQOYBHJ-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000980991478 750425858 /nfs/dbraw/zinc/42/58/58/750425858.db2.gz MVWZFYWMQOYBHJ-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nccc(C)n3)[C@@H]2C)nn1 ZINC000987132246 750525454 /nfs/dbraw/zinc/52/54/54/750525454.db2.gz HNOXYURXCHFCKG-KBPBESRZSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)[C@@H]2C)nn1 ZINC000987166535 750560298 /nfs/dbraw/zinc/56/02/98/750560298.db2.gz HHZLATBUVATBLR-STQMWFEESA-N 1 1 344.423 0.376 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)c[nH]c3=O)C2)nn1 ZINC001105356350 750565928 /nfs/dbraw/zinc/56/59/28/750565928.db2.gz KMCBSNHNAKUPMW-UHFFFAOYSA-N 1 1 342.403 0.914 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)CC1 ZINC000981310683 750572258 /nfs/dbraw/zinc/57/22/58/750572258.db2.gz IRWXLYTVGQUCLJ-UHFFFAOYSA-N 1 1 327.388 0.845 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnnn2CC)CC1 ZINC000981361257 750624413 /nfs/dbraw/zinc/62/44/13/750624413.db2.gz BOIBJDFEANDKBZ-KRWDZBQOSA-N 1 1 344.463 0.430 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnnn2CC)CC1 ZINC000981361257 750624415 /nfs/dbraw/zinc/62/44/15/750624415.db2.gz BOIBJDFEANDKBZ-KRWDZBQOSA-N 1 1 344.463 0.430 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nccnc2C)CC1 ZINC000981365488 750628080 /nfs/dbraw/zinc/62/80/80/750628080.db2.gz OCJCYOXQKSOVTO-SFHVURJKSA-N 1 1 341.459 0.917 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nccnc2C)CC1 ZINC000981365488 750628086 /nfs/dbraw/zinc/62/80/86/750628086.db2.gz OCJCYOXQKSOVTO-SFHVURJKSA-N 1 1 341.459 0.917 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001005860842 750739704 /nfs/dbraw/zinc/73/97/04/750739704.db2.gz CVYTUZDPOUYYQU-CHWSQXEVSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001005867138 750745922 /nfs/dbraw/zinc/74/59/22/750745922.db2.gz PUQWKOKODNQJTL-LALPHHSUSA-N 1 1 343.431 0.803 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)ccc1F ZINC001028109346 750912020 /nfs/dbraw/zinc/91/20/20/750912020.db2.gz HDENSLCVVNIXQZ-ZFWWWQNUSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)ccc1F ZINC001028109346 750912025 /nfs/dbraw/zinc/91/20/25/750912025.db2.gz HDENSLCVVNIXQZ-ZFWWWQNUSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)[C@@H](C)OC)C3)C2)C1=O ZINC000981651002 750918668 /nfs/dbraw/zinc/91/86/68/750918668.db2.gz BAKKSVLFYMYVLG-CABCVRRESA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)[C@@H](C)OC)C3)C2)C1=O ZINC000981651006 750918786 /nfs/dbraw/zinc/91/87/86/750918786.db2.gz BAKKSVLFYMYVLG-HUUCEWRRSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC000981663960 750930605 /nfs/dbraw/zinc/93/06/05/750930605.db2.gz WAQKBNQXDNFEDK-SJORKVTESA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC000981663960 750930610 /nfs/dbraw/zinc/93/06/10/750930610.db2.gz WAQKBNQXDNFEDK-SJORKVTESA-N 1 1 335.448 0.034 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CCC[N@@H+](CCn2cncn2)C3)c[nH]1 ZINC000981722510 751003344 /nfs/dbraw/zinc/00/33/44/751003344.db2.gz XGPNBSSJWUMPQT-UHFFFAOYSA-N 1 1 339.403 0.716 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC[NH+](Cc3ccnn3C)CC2)nn1 ZINC001006101030 751015875 /nfs/dbraw/zinc/01/58/75/751015875.db2.gz BXMSJZWDNUNFOR-UHFFFAOYSA-N 1 1 343.435 0.934 20 30 ECEDMO CC#CC[N@@H+]1CCCC2(CN(C(=O)c3cn(CCOC)nn3)C2)C1 ZINC000981758542 751081864 /nfs/dbraw/zinc/08/18/64/751081864.db2.gz UKJINBQBSWJTCY-UHFFFAOYSA-N 1 1 331.420 0.486 20 30 ECEDMO C=C(Cl)CNCc1cn(C2CN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001105357969 751083901 /nfs/dbraw/zinc/08/39/01/751083901.db2.gz PMAAUIPCQWUGEK-UHFFFAOYSA-N 1 1 340.859 0.845 20 30 ECEDMO C#CCN1CCCC2(CN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC000981775249 751085343 /nfs/dbraw/zinc/08/53/43/751085343.db2.gz YVSPARJAMKZPDA-UHFFFAOYSA-N 1 1 329.448 0.616 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001006185804 751100600 /nfs/dbraw/zinc/10/06/00/751100600.db2.gz HZKYJIOPIPBHLY-ZFWWWQNUSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001006185804 751100602 /nfs/dbraw/zinc/10/06/02/751100602.db2.gz HZKYJIOPIPBHLY-ZFWWWQNUSA-N 1 1 337.464 0.882 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)C1 ZINC000981842742 751182434 /nfs/dbraw/zinc/18/24/34/751182434.db2.gz KAJQNMAPOINEOA-OLZOCXBDSA-N 1 1 346.349 0.890 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1F ZINC001028139655 751189995 /nfs/dbraw/zinc/18/99/95/751189995.db2.gz AWWFPUPSNUANHX-ZNMIVQPWSA-N 1 1 344.390 0.899 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1F ZINC001028139655 751189997 /nfs/dbraw/zinc/18/99/97/751189997.db2.gz AWWFPUPSNUANHX-ZNMIVQPWSA-N 1 1 344.390 0.899 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001028139851 751191402 /nfs/dbraw/zinc/19/14/02/751191402.db2.gz DGQPSEYKZJPADO-ZACQAIPSSA-N 1 1 343.402 0.879 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001028139851 751191405 /nfs/dbraw/zinc/19/14/05/751191405.db2.gz DGQPSEYKZJPADO-ZACQAIPSSA-N 1 1 343.402 0.879 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC000981861261 751208758 /nfs/dbraw/zinc/20/87/58/751208758.db2.gz JGIOWUCQQAPZTB-UHFFFAOYSA-N 1 1 333.436 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cccnn2)C1 ZINC001006312185 751230340 /nfs/dbraw/zinc/23/03/40/751230340.db2.gz CPCKKSBOOZNFHY-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cccnn2)C1 ZINC001006312185 751230342 /nfs/dbraw/zinc/23/03/42/751230342.db2.gz CPCKKSBOOZNFHY-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ncoc2C)C1 ZINC001006312258 751230363 /nfs/dbraw/zinc/23/03/63/751230363.db2.gz DABOVZYJIRWEJC-DOMZBBRYSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ncoc2C)C1 ZINC001006312258 751230366 /nfs/dbraw/zinc/23/03/66/751230366.db2.gz DABOVZYJIRWEJC-DOMZBBRYSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2nocc2C)C1 ZINC001006318864 751240823 /nfs/dbraw/zinc/24/08/23/751240823.db2.gz JOVOFMULCKTCBY-ZFWWWQNUSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2nocc2C)C1 ZINC001006318864 751240826 /nfs/dbraw/zinc/24/08/26/751240826.db2.gz JOVOFMULCKTCBY-ZFWWWQNUSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cnns2)C1 ZINC001006319584 751241588 /nfs/dbraw/zinc/24/15/88/751241588.db2.gz MHSBSISESHNFAS-AAEUAGOBSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cnns2)C1 ZINC001006319584 751241592 /nfs/dbraw/zinc/24/15/92/751241592.db2.gz MHSBSISESHNFAS-AAEUAGOBSA-N 1 1 347.444 0.212 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000987828280 751243737 /nfs/dbraw/zinc/24/37/37/751243737.db2.gz ZKKBZTXRSCQTKG-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ocnc2C)C1 ZINC001006323625 751245691 /nfs/dbraw/zinc/24/56/91/751245691.db2.gz YCVPVTLMKZSYSU-DOMZBBRYSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ocnc2C)C1 ZINC001006323625 751245693 /nfs/dbraw/zinc/24/56/93/751245693.db2.gz YCVPVTLMKZSYSU-DOMZBBRYSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CCCS3(=O)=O)C2)C1 ZINC000981914263 751272553 /nfs/dbraw/zinc/27/25/53/751272553.db2.gz FPQITCAFSKYQIN-HNNXBMFYSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CCCS3(=O)=O)C2)C1 ZINC000981914263 751272555 /nfs/dbraw/zinc/27/25/55/751272555.db2.gz FPQITCAFSKYQIN-HNNXBMFYSA-N 1 1 338.473 0.901 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058904748 751298718 /nfs/dbraw/zinc/29/87/18/751298718.db2.gz HVVWLADTWNOXGI-STQMWFEESA-N 1 1 328.420 0.875 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000987886067 751316086 /nfs/dbraw/zinc/31/60/86/751316086.db2.gz CNZYPXQFBHHQSY-DZGCQCFKSA-N 1 1 343.431 0.759 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2nccnc2C(N)=O)CC1 ZINC001006384018 751319334 /nfs/dbraw/zinc/31/93/34/751319334.db2.gz JCSTYKLFQNXKDK-UHFFFAOYSA-N 1 1 337.811 0.864 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1=O ZINC000981953154 751326744 /nfs/dbraw/zinc/32/67/44/751326744.db2.gz HAVJQVLAJREWAN-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001007454875 752401077 /nfs/dbraw/zinc/40/10/77/752401077.db2.gz AJDCWCNSXHPZLU-AWEZNQCLSA-N 1 1 334.420 0.094 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C#CC2CC2)C3)C1 ZINC001007476161 752425269 /nfs/dbraw/zinc/42/52/69/752425269.db2.gz FVSSHYYAZXJDRY-GJYPPUQNSA-N 1 1 329.444 0.849 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1OC ZINC001212031935 752429425 /nfs/dbraw/zinc/42/94/25/752429425.db2.gz BNIYJSHPDSSDCY-CHWSQXEVSA-N 1 1 325.434 0.970 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1OC ZINC001212031935 752429428 /nfs/dbraw/zinc/42/94/28/752429428.db2.gz BNIYJSHPDSSDCY-CHWSQXEVSA-N 1 1 325.434 0.970 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041437 752434018 /nfs/dbraw/zinc/43/40/18/752434018.db2.gz PPDZMOFNKVGUTR-VCTAVGKDSA-N 1 1 329.360 0.698 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041437 752434023 /nfs/dbraw/zinc/43/40/23/752434023.db2.gz PPDZMOFNKVGUTR-VCTAVGKDSA-N 1 1 329.360 0.698 20 30 ECEDMO CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC#CCOC)C1)[NH+](C)C ZINC001112120532 752482056 /nfs/dbraw/zinc/48/20/56/752482056.db2.gz ZXLNMMKSKVFOAR-MGPQQGTHSA-N 1 1 349.397 0.955 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C)on3)C2)C1=O ZINC001028391774 752529393 /nfs/dbraw/zinc/52/93/93/752529393.db2.gz REKXQIXTMRXPON-DZGCQCFKSA-N 1 1 332.404 0.822 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C)on3)C2)C1=O ZINC001028391778 752529641 /nfs/dbraw/zinc/52/96/41/752529641.db2.gz REKXQIXTMRXPON-ZFWWWQNUSA-N 1 1 332.404 0.822 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C)no3)C2)C1=O ZINC001028403417 752550542 /nfs/dbraw/zinc/55/05/42/752550542.db2.gz JDDHUTCFDBDLRJ-UONOGXRCSA-N 1 1 332.404 0.822 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cncs2)C1 ZINC000982500589 752563687 /nfs/dbraw/zinc/56/36/87/752563687.db2.gz UTRLHLKJORUYLC-KGLIPLIRSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cncs2)C1 ZINC000982500589 752563694 /nfs/dbraw/zinc/56/36/94/752563694.db2.gz UTRLHLKJORUYLC-KGLIPLIRSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C(F)F)C1 ZINC001058985059 752580360 /nfs/dbraw/zinc/58/03/60/752580360.db2.gz CXOZEYCONGPPSH-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C(F)F)C1 ZINC001058985059 752580366 /nfs/dbraw/zinc/58/03/66/752580366.db2.gz CXOZEYCONGPPSH-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CCOCC2)[C@@H]1C ZINC000988737564 752635563 /nfs/dbraw/zinc/63/55/63/752635563.db2.gz BLQFSNQCZJKGDD-PVAVHDDUSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CCOCC2)[C@@H]1C ZINC000988737564 752635566 /nfs/dbraw/zinc/63/55/66/752635566.db2.gz BLQFSNQCZJKGDD-PVAVHDDUSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]c2)[C@@H]1C ZINC000988735096 752637550 /nfs/dbraw/zinc/63/75/50/752637550.db2.gz ULKZUDIJUMOAFY-KBMXLJTQSA-N 1 1 328.416 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]c2)[C@@H]1C ZINC000988735096 752637555 /nfs/dbraw/zinc/63/75/55/752637555.db2.gz ULKZUDIJUMOAFY-KBMXLJTQSA-N 1 1 328.416 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncoc2C)[C@@H]1C ZINC000988738388 752641184 /nfs/dbraw/zinc/64/11/84/752641184.db2.gz OCMBQZKGKNPTMW-SNPRPXQTSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncoc2C)[C@@H]1C ZINC000988738388 752641186 /nfs/dbraw/zinc/64/11/86/752641186.db2.gz OCMBQZKGKNPTMW-SNPRPXQTSA-N 1 1 344.415 0.800 20 30 ECEDMO N#Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)c[nH]1 ZINC001021233928 752685240 /nfs/dbraw/zinc/68/52/40/752685240.db2.gz DLBFTDXMMZJHCY-CHEQUFIKSA-N 1 1 327.388 0.500 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC001007653608 752717036 /nfs/dbraw/zinc/71/70/36/752717036.db2.gz JJHWLAXEUZWZDJ-LPHOPBHVSA-N 1 1 345.443 0.324 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C#CC2CC2)CCO3)C1 ZINC001007657588 752725857 /nfs/dbraw/zinc/72/58/57/752725857.db2.gz NESNPIGOLJCCBU-LPHOPBHVSA-N 1 1 345.443 0.181 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001007657540 752725929 /nfs/dbraw/zinc/72/59/29/752725929.db2.gz MUPJYQQNKMHGRE-KXBFYZLASA-N 1 1 349.475 0.980 20 30 ECEDMO COc1nccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028469553 752766330 /nfs/dbraw/zinc/76/63/30/752766330.db2.gz ALXHUQZVVDZYPH-GFCCVEGCSA-N 1 1 340.387 0.937 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccn(C)c3)C2)C1=O ZINC001028481395 752810427 /nfs/dbraw/zinc/81/04/27/752810427.db2.gz WXUFSCNWSNOQEY-GOEBONIOSA-N 1 1 330.432 0.864 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028492050 752837858 /nfs/dbraw/zinc/83/78/58/752837858.db2.gz WTZYMEZOLXCZKD-VXGBXAGGSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001007751712 752896163 /nfs/dbraw/zinc/89/61/63/752896163.db2.gz ANCCZNJUADFHNX-CJNGLKHVSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001007751712 752896167 /nfs/dbraw/zinc/89/61/67/752896167.db2.gz ANCCZNJUADFHNX-CJNGLKHVSA-N 1 1 345.447 0.953 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001059931263 752899537 /nfs/dbraw/zinc/89/95/37/752899537.db2.gz OQFKIKSVUZJERB-UONOGXRCSA-N 1 1 328.420 0.633 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@H](C)C(N)=O)C[C@]2(C)C1 ZINC000982574462 752947210 /nfs/dbraw/zinc/94/72/10/752947210.db2.gz NYNAHYWFHGUBSA-KAISUZLGSA-N 1 1 335.448 0.622 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000982590977 752989096 /nfs/dbraw/zinc/98/90/96/752989096.db2.gz PPKZSWOJNBPKEB-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000982590977 752989099 /nfs/dbraw/zinc/98/90/99/752989099.db2.gz PPKZSWOJNBPKEB-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)c(F)c1 ZINC001028519637 753018462 /nfs/dbraw/zinc/01/84/62/753018462.db2.gz QPTSGWNJEKJBMX-SWLSCSKDSA-N 1 1 346.362 0.744 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001059942678 753087306 /nfs/dbraw/zinc/08/73/06/753087306.db2.gz ZNSRTICYGGMTSS-CRAIPNDOSA-N 1 1 348.447 0.873 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CCNC(=O)CSCC#N)C1 ZINC001059941197 753091380 /nfs/dbraw/zinc/09/13/80/753091380.db2.gz IFEKMQIIYAXEFY-CQSZACIVSA-N 1 1 349.460 0.803 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028535792 753095502 /nfs/dbraw/zinc/09/55/02/753095502.db2.gz FAZQISVJJJLKEP-ZIAGYGMSSA-N 1 1 329.404 0.224 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001008031220 753216316 /nfs/dbraw/zinc/21/63/16/753216316.db2.gz KHJLHSAREVFABP-KURKYZTESA-N 1 1 349.475 0.470 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001008031220 753216320 /nfs/dbraw/zinc/21/63/20/753216320.db2.gz KHJLHSAREVFABP-KURKYZTESA-N 1 1 349.475 0.470 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cnccc3=O)C[C@@]2(C)C1 ZINC000982683783 753309333 /nfs/dbraw/zinc/30/93/33/753309333.db2.gz LCIYWNBIGZBUFV-KDURUIRLSA-N 1 1 342.443 0.827 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nccn2C(F)F)C1 ZINC001051494282 762205298 /nfs/dbraw/zinc/20/52/98/762205298.db2.gz HCAHYTQRLJFNFM-MNOVXSKESA-N 1 1 327.335 0.755 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001008177048 753425118 /nfs/dbraw/zinc/42/51/18/753425118.db2.gz PKEBXKZLXUQUGP-RISCZKNCSA-N 1 1 347.444 0.724 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001008177048 753425120 /nfs/dbraw/zinc/42/51/20/753425120.db2.gz PKEBXKZLXUQUGP-RISCZKNCSA-N 1 1 347.444 0.724 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C)o2)[C@@H]1C ZINC001088631141 753443174 /nfs/dbraw/zinc/44/31/74/753443174.db2.gz UNDDRRZCSCZATA-SNPRPXQTSA-N 1 1 331.420 0.555 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C)o2)[C@@H]1C ZINC001088631141 753443176 /nfs/dbraw/zinc/44/31/76/753443176.db2.gz UNDDRRZCSCZATA-SNPRPXQTSA-N 1 1 331.420 0.555 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC000982739822 753450402 /nfs/dbraw/zinc/45/04/02/753450402.db2.gz QPTCPAHCMIDWLU-CQSZACIVSA-N 1 1 344.415 0.728 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3csc(C)n3)C2)nn1 ZINC001105371274 753498352 /nfs/dbraw/zinc/49/83/52/753498352.db2.gz KTOUYFGWSARURA-UHFFFAOYSA-N 1 1 332.433 0.945 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2ncc(C#N)cc2Cl)C1 ZINC001105852831 762221465 /nfs/dbraw/zinc/22/14/65/762221465.db2.gz AKQFKKLEQYADRC-VXGBXAGGSA-N 1 1 337.811 0.447 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000989246959 753527453 /nfs/dbraw/zinc/52/74/53/753527453.db2.gz DZCBMBWHWRMHBD-BXWFABGCSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000989246959 753527457 /nfs/dbraw/zinc/52/74/57/753527457.db2.gz DZCBMBWHWRMHBD-BXWFABGCSA-N 1 1 347.459 0.618 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000982777583 753529743 /nfs/dbraw/zinc/52/97/43/753529743.db2.gz CLEAAJINBZVXIO-CYBMUJFWSA-N 1 1 340.387 0.670 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000982783426 753559011 /nfs/dbraw/zinc/55/90/11/753559011.db2.gz SNEQAWALXRGBPJ-HOTGVXAUSA-N 1 1 340.427 0.593 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001028588458 753567121 /nfs/dbraw/zinc/56/71/21/753567121.db2.gz ATLSYGUTIXIQHB-LBPRGKRZSA-N 1 1 327.388 0.749 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CN(C)C(=O)C3CC3)C2)nn1 ZINC001098680957 753604395 /nfs/dbraw/zinc/60/43/95/753604395.db2.gz MEGSQZFTQTVYDA-OAHLLOKOSA-N 1 1 346.435 0.196 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)no1 ZINC001083371115 753709794 /nfs/dbraw/zinc/70/97/94/753709794.db2.gz AACHOVGNSMHVKB-SJORKVTESA-N 1 1 340.383 0.759 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)no1 ZINC001083371115 753709798 /nfs/dbraw/zinc/70/97/98/753709798.db2.gz AACHOVGNSMHVKB-SJORKVTESA-N 1 1 340.383 0.759 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CCN3CCCC3=O)C2)c1 ZINC001008468009 753770348 /nfs/dbraw/zinc/77/03/48/753770348.db2.gz IGVDBYXGUJNNPU-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001008468009 753770349 /nfs/dbraw/zinc/77/03/49/753770349.db2.gz IGVDBYXGUJNNPU-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@@]2(C)C1 ZINC000982816279 753838737 /nfs/dbraw/zinc/83/87/37/753838737.db2.gz GPKLVFOQWIATCK-NXHRZFHOSA-N 1 1 335.448 0.590 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@]2(C)C1 ZINC000982817248 753841007 /nfs/dbraw/zinc/84/10/07/753841007.db2.gz PPDGSRGKYJEZDH-BMFZPTHFSA-N 1 1 341.477 0.425 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@@]2(C)C1 ZINC000982818157 753846523 /nfs/dbraw/zinc/84/65/23/753846523.db2.gz YKEJZWHFCYHODN-QRQLOZEOSA-N 1 1 347.459 0.427 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982818206 753847317 /nfs/dbraw/zinc/84/73/17/753847317.db2.gz ZDPOWWYSUKSMGI-BMFZPTHFSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982818206 753847320 /nfs/dbraw/zinc/84/73/20/753847320.db2.gz ZDPOWWYSUKSMGI-BMFZPTHFSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001087465091 753872555 /nfs/dbraw/zinc/87/25/55/753872555.db2.gz VTTBWKVYCGZWFV-HZPDHXFCSA-N 1 1 342.378 0.420 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001087465091 753872560 /nfs/dbraw/zinc/87/25/60/753872560.db2.gz VTTBWKVYCGZWFV-HZPDHXFCSA-N 1 1 342.378 0.420 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CCS(=O)(=O)NC)C[C@]2(C)C1 ZINC001101237138 753889436 /nfs/dbraw/zinc/88/94/36/753889436.db2.gz CZCSQHSUUWABPI-HIFRSBDPSA-N 1 1 329.466 0.282 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCOC2)[C@H](OC)C1 ZINC001212107278 753994668 /nfs/dbraw/zinc/99/46/68/753994668.db2.gz SOJWZODSVGPLEN-ARFHVFGLSA-N 1 1 326.437 0.821 20 30 ECEDMO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001075677913 754019527 /nfs/dbraw/zinc/01/95/27/754019527.db2.gz DLBLRPPCEYVCIY-YNEHKIRRSA-N 1 1 326.466 0.594 20 30 ECEDMO C[C@@H](CCNC(=O)CSCC#N)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001075678289 754021885 /nfs/dbraw/zinc/02/18/85/754021885.db2.gz UIIDKKCWWGRNMA-STQMWFEESA-N 1 1 326.466 0.596 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001077457648 762260615 /nfs/dbraw/zinc/26/06/15/762260615.db2.gz WUODWHPBMCULNL-BPLDGKMQSA-N 1 1 334.420 0.275 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001077457648 762260619 /nfs/dbraw/zinc/26/06/19/762260619.db2.gz WUODWHPBMCULNL-BPLDGKMQSA-N 1 1 334.420 0.275 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1)C1CCC1 ZINC000982898733 754121816 /nfs/dbraw/zinc/12/18/16/754121816.db2.gz VITFKVVHZKCURD-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC000982924686 754212762 /nfs/dbraw/zinc/21/27/62/754212762.db2.gz ZBCQZSJTQWSPKC-CJNGLKHVSA-N 1 1 346.406 0.830 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC000982924686 754212771 /nfs/dbraw/zinc/21/27/71/754212771.db2.gz ZBCQZSJTQWSPKC-CJNGLKHVSA-N 1 1 346.406 0.830 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001008871363 754238146 /nfs/dbraw/zinc/23/81/46/754238146.db2.gz SSGPZVHMOKTJPL-ZDUSSCGKSA-N 1 1 327.388 0.549 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001008883560 754256065 /nfs/dbraw/zinc/25/60/65/754256065.db2.gz QXCUTIJOCZUNGH-HGTKMLMNSA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)C3CC=CC3)[C@@H]2C1 ZINC001008907685 754294186 /nfs/dbraw/zinc/29/41/86/754294186.db2.gz SVTTZWSVZURMOZ-FJIDUMEYSA-N 1 1 341.455 0.871 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)C3CC=CC3)[C@@H]2C1 ZINC001008907685 754294195 /nfs/dbraw/zinc/29/41/95/754294195.db2.gz SVTTZWSVZURMOZ-FJIDUMEYSA-N 1 1 341.455 0.871 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCCN(CCn3cncn3)CC2)CC1 ZINC000989734717 754365928 /nfs/dbraw/zinc/36/59/28/754365928.db2.gz ACUYVCBPVDMIJG-UHFFFAOYSA-N 1 1 344.463 0.158 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCC(OCC2CC2)CC1 ZINC000261842818 754503151 /nfs/dbraw/zinc/50/31/51/754503151.db2.gz WUPUEKMYYFYMIG-MRXNPFEDSA-N 1 1 335.496 0.453 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000983052696 754513525 /nfs/dbraw/zinc/51/35/25/754513525.db2.gz VYPTVAUTOLTDSP-HOTGVXAUSA-N 1 1 340.427 0.593 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000983052692 754513615 /nfs/dbraw/zinc/51/36/15/754513615.db2.gz VYPTVAUTOLTDSP-CVEARBPZSA-N 1 1 340.427 0.593 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000983053375 754514474 /nfs/dbraw/zinc/51/44/74/754514474.db2.gz FHZAXSPIWXCPHT-ZBFHGGJFSA-N 1 1 340.427 0.593 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001105873006 762319003 /nfs/dbraw/zinc/31/90/03/762319003.db2.gz HMBIBAVTEDQGKC-HZPDHXFCSA-N 1 1 331.420 0.717 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3cncc(C#N)n3)C2)C1 ZINC001060007737 754688277 /nfs/dbraw/zinc/68/82/77/754688277.db2.gz PQSDBYVVAPJNGB-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3cncc(C#N)n3)C2)C1 ZINC001060007737 754688281 /nfs/dbraw/zinc/68/82/81/754688281.db2.gz PQSDBYVVAPJNGB-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001060008178 754697881 /nfs/dbraw/zinc/69/78/81/754697881.db2.gz UQWWLMKAXVMPOZ-YOEHRIQHSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001060008178 754697888 /nfs/dbraw/zinc/69/78/88/754697888.db2.gz UQWWLMKAXVMPOZ-YOEHRIQHSA-N 1 1 343.431 0.934 20 30 ECEDMO CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC001051554380 762328691 /nfs/dbraw/zinc/32/86/91/762328691.db2.gz DIWWUZOKOTYGMW-CYBMUJFWSA-N 1 1 343.391 0.129 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990158828 754784731 /nfs/dbraw/zinc/78/47/31/754784731.db2.gz AGJVKFNWZXZCSM-YLVFBTJISA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC001009335864 754785699 /nfs/dbraw/zinc/78/56/99/754785699.db2.gz MEXOLCWBUWEPSU-KPLDXPABSA-N 1 1 329.444 0.561 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC001009335864 754785702 /nfs/dbraw/zinc/78/57/02/754785702.db2.gz MEXOLCWBUWEPSU-KPLDXPABSA-N 1 1 329.444 0.561 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001028711434 754792443 /nfs/dbraw/zinc/79/24/43/754792443.db2.gz AWDAREPEWYRABJ-ROUUACIJSA-N 1 1 333.476 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001028715063 754810466 /nfs/dbraw/zinc/81/04/66/754810466.db2.gz ZDVJVDOXFMGETP-CYBMUJFWSA-N 1 1 327.388 0.406 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)cc1 ZINC001028730573 754889138 /nfs/dbraw/zinc/88/91/38/754889138.db2.gz MJKJNWVVYQOBFH-INIZCTEOSA-N 1 1 325.412 0.952 20 30 ECEDMO CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)nn1 ZINC001051563172 762345273 /nfs/dbraw/zinc/34/52/73/762345273.db2.gz OYZADWUWEGCWDL-OAHLLOKOSA-N 1 1 343.391 0.129 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)c[nH]1 ZINC000990288007 754925830 /nfs/dbraw/zinc/92/58/30/754925830.db2.gz JPCPQNDNLPSREI-CRAIPNDOSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)c[nH]1 ZINC000990288007 754925834 /nfs/dbraw/zinc/92/58/34/754925834.db2.gz JPCPQNDNLPSREI-CRAIPNDOSA-N 1 1 341.415 0.892 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001028740496 754939564 /nfs/dbraw/zinc/93/95/64/754939564.db2.gz RAYBNJDECMZLKR-JKSUJKDBSA-N 1 1 341.415 0.520 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001009496335 754950540 /nfs/dbraw/zinc/95/05/40/754950540.db2.gz PQMSNWHGNAGEMZ-HNNXBMFYSA-N 1 1 343.493 0.264 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)s1 ZINC001028773196 755064169 /nfs/dbraw/zinc/06/41/69/755064169.db2.gz JIRCSHAFIYREOD-ZWNOBZJWSA-N 1 1 333.417 0.239 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001028792436 755140051 /nfs/dbraw/zinc/14/00/51/755140051.db2.gz HWFGRTUUSCRTGW-GOEBONIOSA-N 1 1 326.400 0.393 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001028792744 755140721 /nfs/dbraw/zinc/14/07/21/755140721.db2.gz LVKCXQYZYYLQPS-CQSZACIVSA-N 1 1 326.400 0.393 20 30 ECEDMO C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001028800596 755162607 /nfs/dbraw/zinc/16/26/07/755162607.db2.gz WGYCOYUPBLTBOW-OWCLPIDISA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001028799785 755163925 /nfs/dbraw/zinc/16/39/25/755163925.db2.gz JDNIUOOUCWPOKY-IXDOHACOSA-N 1 1 347.459 0.618 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028804550 755181272 /nfs/dbraw/zinc/18/12/72/755181272.db2.gz BLQLZJWSGUHNAP-WQVCFCJDSA-N 1 1 326.400 0.618 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001028810315 755202454 /nfs/dbraw/zinc/20/24/54/755202454.db2.gz BFSRIPIZWXKBFA-CABCVRRESA-N 1 1 345.447 0.865 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nccn3CC)C2)nn1 ZINC001028850655 755304199 /nfs/dbraw/zinc/30/41/99/755304199.db2.gz ANAQFIYWMJAHRA-AWEZNQCLSA-N 1 1 343.435 0.932 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nccn3CC)C2)nn1 ZINC001028850655 755304202 /nfs/dbraw/zinc/30/42/02/755304202.db2.gz ANAQFIYWMJAHRA-AWEZNQCLSA-N 1 1 343.435 0.932 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](CCn3cccn3)C2)nn1 ZINC001028857408 755322901 /nfs/dbraw/zinc/32/29/01/755322901.db2.gz HNOOMERRJOPUHQ-OAHLLOKOSA-N 1 1 343.435 0.803 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001028862877 755333991 /nfs/dbraw/zinc/33/39/91/755333991.db2.gz YOMIGKLKQJAEDA-KGLIPLIRSA-N 1 1 329.466 0.425 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001028864310 755335092 /nfs/dbraw/zinc/33/50/92/755335092.db2.gz LYVSADSAVWOWGC-NLTNOIMHSA-N 1 1 340.811 0.165 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001028864310 755335095 /nfs/dbraw/zinc/33/50/95/755335095.db2.gz LYVSADSAVWOWGC-NLTNOIMHSA-N 1 1 340.811 0.165 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001028869193 755347506 /nfs/dbraw/zinc/34/75/06/755347506.db2.gz PYTBOSXAUUJRAQ-ZDUSSCGKSA-N 1 1 329.404 0.959 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccccn4c3=O)[C@@H]2C1 ZINC001075956440 755348948 /nfs/dbraw/zinc/34/89/48/755348948.db2.gz GHADHQNETYYYFS-GOEBONIOSA-N 1 1 336.395 0.864 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1CCC[C@H]1CNc1cc(C)[nH+]c(C)n1 ZINC001105664985 755500273 /nfs/dbraw/zinc/50/02/73/755500273.db2.gz MBDGYNCBRSQNJG-LSDHHAIUSA-N 1 1 343.431 0.930 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1 ZINC001075985474 755565059 /nfs/dbraw/zinc/56/50/59/755565059.db2.gz INKDNPALDFCFTQ-DOTOQJQBSA-N 1 1 343.427 0.664 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)[C@@H](O)C2)c1 ZINC001083475459 755599197 /nfs/dbraw/zinc/59/91/97/755599197.db2.gz MZKRSHDHWIETAV-DFGXFYAUSA-N 1 1 327.384 0.256 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)[C@@H](O)C2)c1 ZINC001083475459 755599202 /nfs/dbraw/zinc/59/92/02/755599202.db2.gz MZKRSHDHWIETAV-DFGXFYAUSA-N 1 1 327.384 0.256 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@@H](O)C1 ZINC001083485676 755659950 /nfs/dbraw/zinc/65/99/50/755659950.db2.gz MCKFHGAMVPIDBG-CVEARBPZSA-N 1 1 329.400 0.922 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088793330 755707615 /nfs/dbraw/zinc/70/76/15/755707615.db2.gz CRNXRVSRBMIDME-KCXAZCMYSA-N 1 1 326.400 0.773 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)[C@@H](O)C1 ZINC001083504391 755763966 /nfs/dbraw/zinc/76/39/66/755763966.db2.gz ZODZUJMPIZXNFD-IMJJTQAJSA-N 1 1 337.464 0.761 20 30 ECEDMO C=CCNC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(C)=O)CC1 ZINC001105673000 755790744 /nfs/dbraw/zinc/79/07/44/755790744.db2.gz FCTMZZSPYTWMDX-JCGIZDLHSA-N 1 1 348.491 0.837 20 30 ECEDMO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]2CC3CC[NH+]2CC3)c1N ZINC001142626550 755884369 /nfs/dbraw/zinc/88/43/69/755884369.db2.gz PKXKEJIEGPECJR-LBPRGKRZSA-N 1 1 327.392 0.107 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001126915471 755979735 /nfs/dbraw/zinc/97/97/35/755979735.db2.gz CDBSEHAJBSJHSQ-UHFFFAOYSA-N 1 1 326.418 0.938 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001010341546 756024328 /nfs/dbraw/zinc/02/43/28/756024328.db2.gz HIAWGILXGOKHHJ-HIFRSBDPSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001010341546 756024332 /nfs/dbraw/zinc/02/43/32/756024332.db2.gz HIAWGILXGOKHHJ-HIFRSBDPSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)C1=O ZINC001010358908 756039045 /nfs/dbraw/zinc/03/90/45/756039045.db2.gz SQIZDUWDAVZCGL-KBPBESRZSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)C1=O ZINC001010358908 756039053 /nfs/dbraw/zinc/03/90/53/756039053.db2.gz SQIZDUWDAVZCGL-KBPBESRZSA-N 1 1 332.379 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(C)n2)CC1 ZINC001010376964 756058196 /nfs/dbraw/zinc/05/81/96/756058196.db2.gz OIRAAPVATVSGCB-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(C)n2)CC1 ZINC001010376964 756058201 /nfs/dbraw/zinc/05/82/01/756058201.db2.gz OIRAAPVATVSGCB-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1 ZINC001076087434 756067707 /nfs/dbraw/zinc/06/77/07/756067707.db2.gz SOGMOJDQRXCGCU-XJKSGUPXSA-N 1 1 339.399 0.501 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)[C@@H]2C1 ZINC001076109433 756095397 /nfs/dbraw/zinc/09/53/97/756095397.db2.gz IWBKBFUVNWCXQX-QWHCGFSZSA-N 1 1 342.407 0.416 20 30 ECEDMO O=C([C@H]1CNC(=O)N1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076196648 756202693 /nfs/dbraw/zinc/20/26/93/756202693.db2.gz MZHTWWYOORDHJN-GVDBMIGSSA-N 1 1 338.411 0.252 20 30 ECEDMO O=C([C@H]1CNC(=O)N1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076196648 756202697 /nfs/dbraw/zinc/20/26/97/756202697.db2.gz MZHTWWYOORDHJN-GVDBMIGSSA-N 1 1 338.411 0.252 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)cc1 ZINC001076196665 756202836 /nfs/dbraw/zinc/20/28/36/756202836.db2.gz NHEZAVBVKMPZBG-ARFHVFGLSA-N 1 1 339.399 0.272 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)c3cc(C)[nH]n3)CC2)CC1 ZINC001010533927 756215455 /nfs/dbraw/zinc/21/54/55/756215455.db2.gz XMQJUWRIHGVQPN-UHFFFAOYSA-N 1 1 343.431 0.348 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001076219788 756223456 /nfs/dbraw/zinc/22/34/56/756223456.db2.gz BDNVTWXGFLKZPU-YWPYICTPSA-N 1 1 347.419 0.230 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001076219788 756223458 /nfs/dbraw/zinc/22/34/58/756223458.db2.gz BDNVTWXGFLKZPU-YWPYICTPSA-N 1 1 347.419 0.230 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CCC(N)=O)cc3)[C@@H]2C1 ZINC001076224060 756236553 /nfs/dbraw/zinc/23/65/53/756236553.db2.gz BFYHZIFWLVZGFA-DLBZAZTESA-N 1 1 325.412 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[C@@H](C)OC ZINC001076233417 756254748 /nfs/dbraw/zinc/25/47/48/756254748.db2.gz VUZMLFXDZABLPL-XHSDSOJGSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[C@@H](C)OC ZINC001076233417 756254752 /nfs/dbraw/zinc/25/47/52/756254752.db2.gz VUZMLFXDZABLPL-XHSDSOJGSA-N 1 1 337.464 0.910 20 30 ECEDMO COc1nscc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051608577 762457091 /nfs/dbraw/zinc/45/70/91/762457091.db2.gz DZHJDPMRMIELTD-CQSZACIVSA-N 1 1 335.429 0.882 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001076262440 756298762 /nfs/dbraw/zinc/29/87/62/756298762.db2.gz CQPCYMXZGDPTGV-XZDPQHSOSA-N 1 1 331.420 0.439 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001076262440 756298765 /nfs/dbraw/zinc/29/87/65/756298765.db2.gz CQPCYMXZGDPTGV-XZDPQHSOSA-N 1 1 331.420 0.439 20 30 ECEDMO C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001076303744 756334195 /nfs/dbraw/zinc/33/41/95/756334195.db2.gz HXEHKAQPABTRBY-JKSUJKDBSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001076303744 756334199 /nfs/dbraw/zinc/33/41/99/756334199.db2.gz HXEHKAQPABTRBY-JKSUJKDBSA-N 1 1 337.464 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4cnc[nH]4)[C@@H]3C2)C1=O ZINC001076294945 756339810 /nfs/dbraw/zinc/33/98/10/756339810.db2.gz AYJDOGNBXSQJQR-NUEKZKHPSA-N 1 1 343.431 0.272 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)[nH]1 ZINC001010657220 756359325 /nfs/dbraw/zinc/35/93/25/756359325.db2.gz ONGAWAIGYXICCP-QWHCGFSZSA-N 1 1 325.376 0.469 20 30 ECEDMO CC1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001010670967 756377162 /nfs/dbraw/zinc/37/71/62/756377162.db2.gz RDWJTQOTYQYRHZ-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1CCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001010670967 756377165 /nfs/dbraw/zinc/37/71/65/756377165.db2.gz RDWJTQOTYQYRHZ-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)cc1F ZINC001010677048 756387871 /nfs/dbraw/zinc/38/78/71/756387871.db2.gz MMNJCSJWKDEHAC-ZDUSSCGKSA-N 1 1 344.350 0.385 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)cc1F ZINC001010677048 756387878 /nfs/dbraw/zinc/38/78/78/756387878.db2.gz MMNJCSJWKDEHAC-ZDUSSCGKSA-N 1 1 344.350 0.385 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@@H](C)C#N)C3)C1 ZINC001010678841 756389837 /nfs/dbraw/zinc/38/98/37/756389837.db2.gz AGIAUVLRFVBWDM-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@@H](C)C#N)C3)C1 ZINC001010678841 756389843 /nfs/dbraw/zinc/38/98/43/756389843.db2.gz AGIAUVLRFVBWDM-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010690864 756402879 /nfs/dbraw/zinc/40/28/79/756402879.db2.gz QACOWAYYDAWKFA-UKRRQHHQSA-N 1 1 327.388 0.477 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001010690864 756402884 /nfs/dbraw/zinc/40/28/84/756402884.db2.gz QACOWAYYDAWKFA-UKRRQHHQSA-N 1 1 327.388 0.477 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010692692 756405822 /nfs/dbraw/zinc/40/58/22/756405822.db2.gz NNYUJDZQTVRKDR-WFASDCNBSA-N 1 1 334.445 0.641 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010692692 756405823 /nfs/dbraw/zinc/40/58/23/756405823.db2.gz NNYUJDZQTVRKDR-WFASDCNBSA-N 1 1 334.445 0.641 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CCCC(N)=O)CC1 ZINC001105680799 756474180 /nfs/dbraw/zinc/47/41/80/756474180.db2.gz KXMCXCOATDKMCU-CALCHBBNSA-N 1 1 348.491 0.968 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001010756095 756484619 /nfs/dbraw/zinc/48/46/19/756484619.db2.gz WRAKUUMJLIMPSO-SFHVURJKSA-N 1 1 343.402 0.846 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001010756095 756484620 /nfs/dbraw/zinc/48/46/20/756484620.db2.gz WRAKUUMJLIMPSO-SFHVURJKSA-N 1 1 343.402 0.846 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)C#CC(C)(C)C)C1 ZINC001076436712 756511438 /nfs/dbraw/zinc/51/14/38/756511438.db2.gz WRDSHQJASIHJJN-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)C#CC(C)(C)C)C1 ZINC001076436712 756511441 /nfs/dbraw/zinc/51/14/41/756511441.db2.gz WRDSHQJASIHJJN-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001076444926 756536625 /nfs/dbraw/zinc/53/66/25/756536625.db2.gz YYKNEYJSBRLFOU-JKSUJKDBSA-N 1 1 336.399 0.952 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001076444926 756536628 /nfs/dbraw/zinc/53/66/28/756536628.db2.gz YYKNEYJSBRLFOU-JKSUJKDBSA-N 1 1 336.399 0.952 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)[C@@H]2C1 ZINC001076475031 756561217 /nfs/dbraw/zinc/56/12/17/756561217.db2.gz XGSBWYDONOMUSD-XJKSGUPXSA-N 1 1 337.379 0.740 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010837613 756584887 /nfs/dbraw/zinc/58/48/87/756584887.db2.gz DEOJSZMWAIMJNA-ZIAGYGMSSA-N 1 1 344.371 0.366 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001010837613 756584890 /nfs/dbraw/zinc/58/48/90/756584890.db2.gz DEOJSZMWAIMJNA-ZIAGYGMSSA-N 1 1 344.371 0.366 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCOC)nn2)C1 ZINC001098663607 756619112 /nfs/dbraw/zinc/61/91/12/756619112.db2.gz HMYWEGKELCZQCM-GOEBONIOSA-N 1 1 337.424 0.115 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1 ZINC001076575816 756666150 /nfs/dbraw/zinc/66/61/50/756666150.db2.gz JCJXSUDBQGVKLY-BFHYXJOUSA-N 1 1 348.451 0.429 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1c1cncc(C#N)n1 ZINC001060125273 756691825 /nfs/dbraw/zinc/69/18/25/756691825.db2.gz PLRDPJLFWHDXDQ-CABCVRRESA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC001010960722 756706359 /nfs/dbraw/zinc/70/63/59/756706359.db2.gz RCFWEJXTHZMBPV-IRXDYDNUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC001010960722 756706363 /nfs/dbraw/zinc/70/63/63/756706363.db2.gz RCFWEJXTHZMBPV-IRXDYDNUSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001051620537 762492665 /nfs/dbraw/zinc/49/26/65/762492665.db2.gz RRMPJZQMRZYUQO-XHSDSOJGSA-N 1 1 346.431 0.775 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC000996093594 756945824 /nfs/dbraw/zinc/94/58/24/756945824.db2.gz ROEXXZDSOUGPRL-SYAUCNOPSA-N 1 1 341.415 0.842 20 30 ECEDMO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048796135 757024504 /nfs/dbraw/zinc/02/45/04/757024504.db2.gz DQGSNNFIICUMMC-BBWFWOEESA-N 1 1 339.395 0.537 20 30 ECEDMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4C#N)C[C@@H]3C2)nn1 ZINC001048800439 757036986 /nfs/dbraw/zinc/03/69/86/757036986.db2.gz GRDNSTTTWXUHIH-IYBDPMFKSA-N 1 1 336.399 0.891 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)cc1 ZINC001076769579 757064442 /nfs/dbraw/zinc/06/44/42/757064442.db2.gz IWRALECZSKYIBH-HZPDHXFCSA-N 1 1 341.371 0.287 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)cc1 ZINC001076769579 757064447 /nfs/dbraw/zinc/06/44/47/757064447.db2.gz IWRALECZSKYIBH-HZPDHXFCSA-N 1 1 341.371 0.287 20 30 ECEDMO COc1nccc(C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048810383 757068442 /nfs/dbraw/zinc/06/84/42/757068442.db2.gz KRRHEFPKXAJISO-GASCZTMLSA-N 1 1 326.400 0.789 20 30 ECEDMO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](CCC[C@@H]3CCOC3)C2)nn1 ZINC001107149504 757086212 /nfs/dbraw/zinc/08/62/12/757086212.db2.gz HJYIFPAUOAJMIR-ZIAGYGMSSA-N 1 1 346.435 0.727 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@H]2C1 ZINC001048819614 757100541 /nfs/dbraw/zinc/10/05/41/757100541.db2.gz WQSAPHLLGGWTCI-MCIONIFRSA-N 1 1 329.404 0.339 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3coc(S(C)(=O)=O)c3)C[C@H]2C1 ZINC001048831633 757134925 /nfs/dbraw/zinc/13/49/25/757134925.db2.gz XPJFTDFEAPJKFB-OKILXGFUSA-N 1 1 336.413 0.710 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3coc(S(C)(=O)=O)c3)C[C@H]2C1 ZINC001048831633 757134928 /nfs/dbraw/zinc/13/49/28/757134928.db2.gz XPJFTDFEAPJKFB-OKILXGFUSA-N 1 1 336.413 0.710 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)N(CCOC)C3)CCC[C@@H]12 ZINC000990975977 757152078 /nfs/dbraw/zinc/15/20/78/757152078.db2.gz WWSZIUJYTMXBRW-GPMSIDNRSA-N 1 1 347.459 0.618 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001011208590 757191577 /nfs/dbraw/zinc/19/15/77/757191577.db2.gz HFFLMWSLGVHTBJ-RHSMWYFYSA-N 1 1 340.427 0.688 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCc1cn(C2C[NH+]([C@@H](C)COC)C2)nn1 ZINC001107163813 757197093 /nfs/dbraw/zinc/19/70/93/757197093.db2.gz CATWIAOSFAXNNX-BLLLJJGKSA-N 1 1 337.424 0.113 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3c(C)oc4nc[nH]c(=O)c43)C[C@H]2C1 ZINC001048863044 757216730 /nfs/dbraw/zinc/21/67/30/757216730.db2.gz GTKQNMHBHCJTRL-TXEJJXNPSA-N 1 1 326.356 0.874 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@H]2C1 ZINC001048872526 757246458 /nfs/dbraw/zinc/24/64/58/757246458.db2.gz FWDRNJXDVOPRLS-YYIAUSFCSA-N 1 1 342.443 0.911 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)cc1 ZINC001076823607 757273857 /nfs/dbraw/zinc/27/38/57/757273857.db2.gz HFINIMNAGFRLRW-GVDBMIGSSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)cc1 ZINC001076823607 757273866 /nfs/dbraw/zinc/27/38/66/757273866.db2.gz HFINIMNAGFRLRW-GVDBMIGSSA-N 1 1 329.400 0.646 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3cnn(C)c3C)nn2)C1 ZINC001107178223 757333247 /nfs/dbraw/zinc/33/32/47/757333247.db2.gz NCHBQYGWCFGDFP-UHFFFAOYSA-N 1 1 343.435 0.612 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001051638732 762542040 /nfs/dbraw/zinc/54/20/40/762542040.db2.gz SKUYVMAFNZVKPL-ZDUSSCGKSA-N 1 1 341.843 0.911 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@H]2C1 ZINC001048915770 757395609 /nfs/dbraw/zinc/39/56/09/757395609.db2.gz KJOVHRIMCLLWQT-CALCHBBNSA-N 1 1 343.427 0.522 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1 ZINC001021429937 757431575 /nfs/dbraw/zinc/43/15/75/757431575.db2.gz WZWFXIPGBYDGSR-WOSRLPQWSA-N 1 1 341.415 0.511 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)nn1 ZINC001098676553 762551741 /nfs/dbraw/zinc/55/17/41/762551741.db2.gz PHTYDKWBOIKIFM-CABCVRRESA-N 1 1 335.408 0.133 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001011314127 757487415 /nfs/dbraw/zinc/48/74/15/757487415.db2.gz DXFGIOAXVUEXMD-INIZCTEOSA-N 1 1 343.431 0.029 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001011314127 757487420 /nfs/dbraw/zinc/48/74/20/757487420.db2.gz DXFGIOAXVUEXMD-INIZCTEOSA-N 1 1 343.431 0.029 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nccs2)CC1 ZINC001011314328 757488322 /nfs/dbraw/zinc/48/83/22/757488322.db2.gz ZBJCUFRCJFDVKS-ZDUSSCGKSA-N 1 1 332.429 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nccs2)CC1 ZINC001011314328 757488330 /nfs/dbraw/zinc/48/83/30/757488330.db2.gz ZBJCUFRCJFDVKS-ZDUSSCGKSA-N 1 1 332.429 0.525 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@H]2C1 ZINC001048965310 757537076 /nfs/dbraw/zinc/53/70/76/757537076.db2.gz KAHNVPLMMZAFRY-KFWWJZLASA-N 1 1 328.416 0.941 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O ZINC001048966305 757539511 /nfs/dbraw/zinc/53/95/11/757539511.db2.gz KOWAWQKYXBKWCQ-IKGGRYGDSA-N 1 1 349.475 0.550 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048977432 757581089 /nfs/dbraw/zinc/58/10/89/757581089.db2.gz CQURSCTVUFMQGR-TUAOUCFPSA-N 1 1 342.237 0.421 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048977432 757581091 /nfs/dbraw/zinc/58/10/91/757581091.db2.gz CQURSCTVUFMQGR-TUAOUCFPSA-N 1 1 342.237 0.421 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000996438164 757600751 /nfs/dbraw/zinc/60/07/51/757600751.db2.gz XVRWYEHUQBTLCX-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@H]3C2)C1=O ZINC001048996169 757637989 /nfs/dbraw/zinc/63/79/89/757637989.db2.gz KXIZKLFNDZLGSH-VRXFMZDNSA-N 1 1 345.443 0.056 20 30 ECEDMO C#CCOc1ccc(C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000991667358 762564299 /nfs/dbraw/zinc/56/42/99/762564299.db2.gz RSAAUQJIGZGRTR-HNNXBMFYSA-N 1 1 341.411 0.591 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001021590671 757653693 /nfs/dbraw/zinc/65/36/93/757653693.db2.gz GNTMYASNOFRRDU-GJZGRUSLSA-N 1 1 344.463 0.917 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)CNC(C)=O)c1ccccc1O2 ZINC001111529583 757679051 /nfs/dbraw/zinc/67/90/51/757679051.db2.gz MKFJKNKKXJMDEA-QFBILLFUSA-N 1 1 341.411 0.840 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)C[N@@H+]3CCC[C@H]3C)nn2)C1 ZINC001107209539 757687964 /nfs/dbraw/zinc/68/79/64/757687964.db2.gz TTXACILPZLPQHW-CQSZACIVSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CCC(C)C)C[C@@H]1O ZINC001049019218 757709353 /nfs/dbraw/zinc/70/93/53/757709353.db2.gz HYCRJHGXMKGJRG-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CCC(C)C)C[C@@H]1O ZINC001049019218 757709358 /nfs/dbraw/zinc/70/93/58/757709358.db2.gz HYCRJHGXMKGJRG-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)c1 ZINC001021661707 757753782 /nfs/dbraw/zinc/75/37/82/757753782.db2.gz REDPSAQOULWCRF-JKSUJKDBSA-N 1 1 326.400 0.856 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cn(C2C[NH+](CC)C2)nn1 ZINC001107215854 757795634 /nfs/dbraw/zinc/79/56/34/757795634.db2.gz OZIHMGVKDVUSNI-HNNXBMFYSA-N 1 1 334.424 0.242 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001021701177 757820614 /nfs/dbraw/zinc/82/06/14/757820614.db2.gz VZFKELRXMYTXCP-ZFWWWQNUSA-N 1 1 344.415 0.685 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021714589 757852032 /nfs/dbraw/zinc/85/20/32/757852032.db2.gz XPRIRNAWIAXNSF-LSDHHAIUSA-N 1 1 348.447 0.769 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nc3nccc(C)n3n2)C1 ZINC001021724078 757863906 /nfs/dbraw/zinc/86/39/06/757863906.db2.gz IXTAYPYPFFBSOW-GJZGRUSLSA-N 1 1 338.415 0.992 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021741803 757892217 /nfs/dbraw/zinc/89/22/17/757892217.db2.gz HSCKISXLOBXZDB-UKRRQHHQSA-N 1 1 346.435 0.266 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021742441 757892369 /nfs/dbraw/zinc/89/23/69/757892369.db2.gz LFPPHACEJDXMDF-DZGCQCFKSA-N 1 1 346.435 0.266 20 30 ECEDMO Cc1cc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](O)C2)nc(C)[nH+]1 ZINC001051650289 762586782 /nfs/dbraw/zinc/58/67/82/762586782.db2.gz IFRAGOOFEBREOY-HUUCEWRRSA-N 1 1 340.387 0.663 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@H]2C1 ZINC001049093078 757942816 /nfs/dbraw/zinc/94/28/16/757942816.db2.gz UOYGDJYKUIFJBD-SOUVJXGZSA-N 1 1 326.462 0.778 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3cncn3C)nn2)C1 ZINC001107229688 757991732 /nfs/dbraw/zinc/99/17/32/757991732.db2.gz OHOMDEWNCYPAJM-UHFFFAOYSA-N 1 1 329.408 0.303 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)n[nH]2)C1=O ZINC001032300498 757993298 /nfs/dbraw/zinc/99/32/98/757993298.db2.gz ZRGBFNKDJBMNCG-KCQAQPDRSA-N 1 1 329.404 0.404 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)n[nH]2)C1=O ZINC001032300498 757993308 /nfs/dbraw/zinc/99/33/08/757993308.db2.gz ZRGBFNKDJBMNCG-KCQAQPDRSA-N 1 1 329.404 0.404 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@H]2C1 ZINC001049114799 758000570 /nfs/dbraw/zinc/00/05/70/758000570.db2.gz QPATZEXJOUCVNH-OKILXGFUSA-N 1 1 341.415 0.911 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001077042515 758026647 /nfs/dbraw/zinc/02/66/47/758026647.db2.gz KDTWOUMVFFXPSE-HUUCEWRRSA-N 1 1 328.372 0.323 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001077042515 758026659 /nfs/dbraw/zinc/02/66/59/758026659.db2.gz KDTWOUMVFFXPSE-HUUCEWRRSA-N 1 1 328.372 0.323 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783181 758038827 /nfs/dbraw/zinc/03/88/27/758038827.db2.gz DMEYVBCZISGDAC-MSOLQXFVSA-N 1 1 329.444 0.589 20 30 ECEDMO C=CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+]([C@H](C)COC)C2)nn1 ZINC001107240726 758041527 /nfs/dbraw/zinc/04/15/27/758041527.db2.gz GTGVJNWXHKDEEL-OLZOCXBDSA-N 1 1 337.424 0.377 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@]4(C)CCOC4)C[C@H]3C2)C1=O ZINC001049133504 758080588 /nfs/dbraw/zinc/08/05/88/758080588.db2.gz KHELXKCXCUOZPE-YYAJDYIMSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnccn3)CCC[C@@H]12 ZINC001107261668 758088085 /nfs/dbraw/zinc/08/80/85/758088085.db2.gz NGTOSJQCABDSFZ-CRAIPNDOSA-N 1 1 343.431 0.753 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc4c3COCC4)C2)c1 ZINC001021948467 758091131 /nfs/dbraw/zinc/09/11/31/758091131.db2.gz PKMHVKRNQLIQFF-TXEJJXNPSA-N 1 1 341.371 0.998 20 30 ECEDMO CN(C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001021980962 758124739 /nfs/dbraw/zinc/12/47/39/758124739.db2.gz DRFQLVSRNFYCGE-PHIMTYICSA-N 1 1 329.364 0.386 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CN3CCCC3=O)CCC[C@@H]12 ZINC001107275776 758133705 /nfs/dbraw/zinc/13/37/05/758133705.db2.gz GCXAWZMMUKODMX-VQIMIIECSA-N 1 1 347.459 0.619 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001060159118 758172868 /nfs/dbraw/zinc/17/28/68/758172868.db2.gz XXSNLKHVUNMHCO-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001060159118 758172877 /nfs/dbraw/zinc/17/28/77/758172877.db2.gz XXSNLKHVUNMHCO-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C(=O)N3CC[C@H](C)C3)C[C@H]2C1 ZINC001049161514 758177908 /nfs/dbraw/zinc/17/79/08/758177908.db2.gz WUVYIEFUKJVGHE-FPMFFAJLSA-N 1 1 325.840 0.998 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C1 ZINC001049162859 758182812 /nfs/dbraw/zinc/18/28/12/758182812.db2.gz GCXYBRZQYZRNGD-IYBDPMFKSA-N 1 1 336.399 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ncoc1CC ZINC001077124034 758250948 /nfs/dbraw/zinc/25/09/48/758250948.db2.gz KPJBJIAARBDKLT-KBPBESRZSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ncoc1CC ZINC001077124034 758250958 /nfs/dbraw/zinc/25/09/58/758250958.db2.gz KPJBJIAARBDKLT-KBPBESRZSA-N 1 1 346.431 0.959 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001011669695 758259008 /nfs/dbraw/zinc/25/90/08/758259008.db2.gz SLPWEEGQPDAFTO-NHYWBVRUSA-N 1 1 340.387 0.811 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@H]2C1 ZINC001049197890 758280559 /nfs/dbraw/zinc/28/05/59/758280559.db2.gz WFOCUFNXDDAWFQ-ZNMIVQPWSA-N 1 1 341.839 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cc(C)on1 ZINC001077124524 758285336 /nfs/dbraw/zinc/28/53/36/758285336.db2.gz WNLSQMWWHVYDLB-BBRMVZONSA-N 1 1 346.431 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cc(C)on1 ZINC001077124524 758285347 /nfs/dbraw/zinc/28/53/47/758285347.db2.gz WNLSQMWWHVYDLB-BBRMVZONSA-N 1 1 346.431 0.634 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C)no1 ZINC001077124371 758285501 /nfs/dbraw/zinc/28/55/01/758285501.db2.gz UIIGODJSUXTMOD-JSGCOSHPSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C)no1 ZINC001077124371 758285507 /nfs/dbraw/zinc/28/55/07/758285507.db2.gz UIIGODJSUXTMOD-JSGCOSHPSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c[nH]nc1CC ZINC001077125184 758288358 /nfs/dbraw/zinc/28/83/58/758288358.db2.gz OTAHLGSNAJCCEW-BBRMVZONSA-N 1 1 345.447 0.694 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c[nH]nc1CC ZINC001077125184 758288378 /nfs/dbraw/zinc/28/83/78/758288378.db2.gz OTAHLGSNAJCCEW-BBRMVZONSA-N 1 1 345.447 0.694 20 30 ECEDMO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c2)CC2(CCOCC2)C1 ZINC001099563637 758293592 /nfs/dbraw/zinc/29/35/92/758293592.db2.gz IUCCTMIYUSYYRK-INIZCTEOSA-N 1 1 346.431 0.660 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)CC2(CCOCC2)C1 ZINC001099563637 758293602 /nfs/dbraw/zinc/29/36/02/758293602.db2.gz IUCCTMIYUSYYRK-INIZCTEOSA-N 1 1 346.431 0.660 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@H]2C1 ZINC001049205127 758300916 /nfs/dbraw/zinc/30/09/16/758300916.db2.gz WMRJCBDXPSWQGY-IYBDPMFKSA-N 1 1 336.399 0.689 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107328937 758301311 /nfs/dbraw/zinc/30/13/11/758301311.db2.gz CGYHJEVKCRWZBP-NVXWUHKLSA-N 1 1 333.436 0.842 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)c1c[nH]c(C#N)c1 ZINC001077146739 758320925 /nfs/dbraw/zinc/32/09/25/758320925.db2.gz ZMSDLYLUBLNZBX-YWPYICTPSA-N 1 1 347.419 0.230 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)c1c[nH]c(C#N)c1 ZINC001077146739 758320934 /nfs/dbraw/zinc/32/09/34/758320934.db2.gz ZMSDLYLUBLNZBX-YWPYICTPSA-N 1 1 347.419 0.230 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1C(=O)CCC1=O)CC2 ZINC001107338935 758331160 /nfs/dbraw/zinc/33/11/60/758331160.db2.gz ZNBSOYMHANWLDC-PMUMKWKESA-N 1 1 346.431 0.656 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2=COCCC2)C1=O ZINC001032311658 758351673 /nfs/dbraw/zinc/35/16/73/758351673.db2.gz KRQCJWOVJXTHJV-HRCADAONSA-N 1 1 331.416 0.753 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1O ZINC001077159190 758376622 /nfs/dbraw/zinc/37/66/22/758376622.db2.gz SPDNACGCCLGNGM-FGTMMUONSA-N 1 1 333.476 0.826 20 30 ECEDMO COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC001107366431 758377416 /nfs/dbraw/zinc/37/74/16/758377416.db2.gz DCPNMHJGFYQYJQ-LZLYRXPVSA-N 1 1 346.431 0.868 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@@H]1O ZINC001049249418 758434144 /nfs/dbraw/zinc/43/41/44/758434144.db2.gz CKSXHDVKUMRNNC-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H](C)c2nc(C)no2)C1 ZINC001022221528 758442600 /nfs/dbraw/zinc/44/26/00/758442600.db2.gz IJUYLWDDYYTXHK-RZFFKMDDSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H](C)c2nc(C)no2)C1 ZINC001022221528 758442603 /nfs/dbraw/zinc/44/26/03/758442603.db2.gz IJUYLWDDYYTXHK-RZFFKMDDSA-N 1 1 331.420 0.773 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O ZINC001077238066 758572272 /nfs/dbraw/zinc/57/22/72/758572272.db2.gz ZWHDGUDMQOPCCV-FGTMMUONSA-N 1 1 342.443 0.704 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077237635 758572568 /nfs/dbraw/zinc/57/25/68/758572568.db2.gz NRDGNSZVCXSJBI-FGTMMUONSA-N 1 1 342.443 0.704 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(c4cncc(C#N)n4)C[C@H]3C2)C1 ZINC001049384593 758607186 /nfs/dbraw/zinc/60/71/86/758607186.db2.gz RBSMCDTVDZGCSY-KFWWJZLASA-N 1 1 340.431 0.585 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)S(C)(=O)=O)CCC[C@@H]12 ZINC001107453912 758611446 /nfs/dbraw/zinc/61/14/46/758611446.db2.gz IANYEMYZMDIDDE-IIAWOOMASA-N 1 1 326.462 0.804 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)S(C)(=O)=O)CCC[C@@H]12 ZINC001107453912 758611448 /nfs/dbraw/zinc/61/14/48/758611448.db2.gz IANYEMYZMDIDDE-IIAWOOMASA-N 1 1 326.462 0.804 20 30 ECEDMO C=C(Br)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779959 758630688 /nfs/dbraw/zinc/63/06/88/758630688.db2.gz UNLHECWMPXMEDL-NEPJUHHUSA-N 1 1 332.242 0.464 20 30 ECEDMO C=C(Br)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779959 758630690 /nfs/dbraw/zinc/63/06/90/758630690.db2.gz UNLHECWMPXMEDL-NEPJUHHUSA-N 1 1 332.242 0.464 20 30 ECEDMO O=C(NCCNCC#Cc1ccc(F)cc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779976 758630912 /nfs/dbraw/zinc/63/09/12/758630912.db2.gz UPZLRAQSEJYZGH-QZTJIDSGSA-N 1 1 345.418 0.746 20 30 ECEDMO O=C(NCCNCC#Cc1ccc(F)cc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779976 758630917 /nfs/dbraw/zinc/63/09/17/758630917.db2.gz UPZLRAQSEJYZGH-QZTJIDSGSA-N 1 1 345.418 0.746 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)NC2CC2)c1 ZINC001049401123 758634120 /nfs/dbraw/zinc/63/41/20/758634120.db2.gz LTANBBXRHMHQKV-CVEARBPZSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)NC2CC2)c1 ZINC001049401123 758634127 /nfs/dbraw/zinc/63/41/27/758634127.db2.gz LTANBBXRHMHQKV-CVEARBPZSA-N 1 1 341.415 0.844 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)NC ZINC001049476771 758782331 /nfs/dbraw/zinc/78/23/31/758782331.db2.gz BPMGUZRIKZEHNU-UGUYLWEFSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)NC ZINC001049476771 758782337 /nfs/dbraw/zinc/78/23/37/758782337.db2.gz BPMGUZRIKZEHNU-UGUYLWEFSA-N 1 1 335.448 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]c(CC)n2)cn1 ZINC001105909522 762658749 /nfs/dbraw/zinc/65/87/49/762658749.db2.gz JMKJPEXJMLJMJI-HNNXBMFYSA-N 1 1 339.399 0.927 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001077335408 758842362 /nfs/dbraw/zinc/84/23/62/758842362.db2.gz PORLLOXQOUTSIA-FMKPAKJESA-N 1 1 334.803 0.828 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 ZINC001049559194 758921188 /nfs/dbraw/zinc/92/11/88/758921188.db2.gz VVEGGTUBCXHGTN-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCS(=O)(=O)C3)CCC[C@@H]12 ZINC000991679321 762670865 /nfs/dbraw/zinc/67/08/65/762670865.db2.gz KWRATXOOJCTCHV-BFYDXBDKSA-N 1 1 338.473 0.948 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001049583832 758961766 /nfs/dbraw/zinc/96/17/66/758961766.db2.gz ZUKDBZNWOBIJCX-BZUAXINKSA-N 1 1 332.448 0.866 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccn3c2=O)[C@@H](O)C1 ZINC001083575567 758977788 /nfs/dbraw/zinc/97/77/88/758977788.db2.gz CWIVOKAEJVVPPG-KGLIPLIRSA-N 1 1 328.372 0.046 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1COCCN1CC(F)F ZINC001049611210 758990558 /nfs/dbraw/zinc/99/05/58/758990558.db2.gz FQFQLUHYDSBHCT-RRFJBIMHSA-N 1 1 341.402 0.651 20 30 ECEDMO COC[C@@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC(C)C)C2)nn1 ZINC001098669954 759087742 /nfs/dbraw/zinc/08/77/42/759087742.db2.gz ZMPMCAWEPMDPMG-GDBMZVCRSA-N 1 1 333.436 0.835 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nnc2c1CCCC2 ZINC001049726301 759137609 /nfs/dbraw/zinc/13/76/09/759137609.db2.gz CWMMMSDBUDKPCR-IAGOWNOFSA-N 1 1 327.432 0.855 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnn(CC)n3)C2)nn1 ZINC001022824523 759146817 /nfs/dbraw/zinc/14/68/17/759146817.db2.gz FUHXSYYAHUEHMZ-TXEJJXNPSA-N 1 1 330.396 0.126 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(CC)s3)C2)nn1 ZINC001022824746 759147082 /nfs/dbraw/zinc/14/70/82/759147082.db2.gz MMNBTNXAYZYCPD-PHIMTYICSA-N 1 1 347.448 0.929 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)N1CCC1 ZINC001049740601 759154581 /nfs/dbraw/zinc/15/45/81/759154581.db2.gz LRMMECJGXVFBFY-TWMKSMIVSA-N 1 1 347.459 0.875 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)S(C)(=O)=O ZINC001049767414 759180581 /nfs/dbraw/zinc/18/05/81/759180581.db2.gz GCEZBVJBXPHBPA-UONOGXRCSA-N 1 1 326.462 0.898 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)S(C)(=O)=O ZINC001049767414 759180582 /nfs/dbraw/zinc/18/05/82/759180582.db2.gz GCEZBVJBXPHBPA-UONOGXRCSA-N 1 1 326.462 0.898 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001049827078 759261043 /nfs/dbraw/zinc/26/10/43/759261043.db2.gz JHWOFRVFADBWHK-HYVNUMGLSA-N 1 1 343.431 0.627 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC000991088166 759262842 /nfs/dbraw/zinc/26/28/42/759262842.db2.gz KGEFJOXDUWJMFK-QAPCUYQASA-N 1 1 335.448 0.925 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn([C@H]2CCOC2)nn1 ZINC001049832231 759269964 /nfs/dbraw/zinc/26/99/64/759269964.db2.gz UQJRNAFLLMVEEO-BHYGNILZSA-N 1 1 343.431 0.942 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001049837102 759272997 /nfs/dbraw/zinc/27/29/97/759272997.db2.gz ZLASZCHBZXGJKE-CABCVRRESA-N 1 1 345.447 0.632 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccnc2N2CCCC2)[C@@H](O)C1 ZINC001083611116 759289808 /nfs/dbraw/zinc/28/98/08/759289808.db2.gz DIIBKUTWKVZPNS-CVEARBPZSA-N 1 1 328.416 0.480 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049850952 759300901 /nfs/dbraw/zinc/30/09/01/759300901.db2.gz VCYGJWZORRPEMU-ZIAGYGMSSA-N 1 1 342.403 0.673 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049853261 759305131 /nfs/dbraw/zinc/30/51/31/759305131.db2.gz BMWMMDYTZKSACG-HZPDHXFCSA-N 1 1 329.400 0.765 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001049869401 759323221 /nfs/dbraw/zinc/32/32/21/759323221.db2.gz GODGWIJJOGGKBZ-BBWFWOEESA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001054239631 767851674 /nfs/dbraw/zinc/85/16/74/767851674.db2.gz SFSSGWPHOSLKNE-GOSISDBHSA-N 1 1 346.431 0.990 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O ZINC001049887395 759351244 /nfs/dbraw/zinc/35/12/44/759351244.db2.gz WNXGPAWFTNWVBI-UONOGXRCSA-N 1 1 334.420 0.522 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2noc3c2COCC3)C1 ZINC001047633807 759356472 /nfs/dbraw/zinc/35/64/72/759356472.db2.gz MJBQQKAOESQSAD-KBPBESRZSA-N 1 1 335.404 0.831 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2CCCCC2=O)C1 ZINC001047639301 759377980 /nfs/dbraw/zinc/37/79/80/759377980.db2.gz QVTNIKXWSDUFCM-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001049900967 759380127 /nfs/dbraw/zinc/38/01/27/759380127.db2.gz WCFXEQBKJBHOJO-FRRDWIJNSA-N 1 1 347.868 0.496 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001049900967 759380136 /nfs/dbraw/zinc/38/01/36/759380136.db2.gz WCFXEQBKJBHOJO-FRRDWIJNSA-N 1 1 347.868 0.496 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001047639763 759381263 /nfs/dbraw/zinc/38/12/63/759381263.db2.gz NVQRFBPMJXAYSI-IHRRRGAJSA-N 1 1 347.381 0.540 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001047639763 759381275 /nfs/dbraw/zinc/38/12/75/759381275.db2.gz NVQRFBPMJXAYSI-IHRRRGAJSA-N 1 1 347.381 0.540 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001047640086 759382154 /nfs/dbraw/zinc/38/21/54/759382154.db2.gz IZUQVJGRMOIAFE-GJZGRUSLSA-N 1 1 329.404 0.580 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001047640086 759382165 /nfs/dbraw/zinc/38/21/65/759382165.db2.gz IZUQVJGRMOIAFE-GJZGRUSLSA-N 1 1 329.404 0.580 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1COCCN1C(C)=O ZINC001049905307 759387236 /nfs/dbraw/zinc/38/72/36/759387236.db2.gz WQANQJYZSGBXHL-BBWFWOEESA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001047645086 759393502 /nfs/dbraw/zinc/39/35/02/759393502.db2.gz DQRQJXNDNTWEAL-GJZGRUSLSA-N 1 1 332.404 0.264 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001047648879 759407189 /nfs/dbraw/zinc/40/71/89/759407189.db2.gz GRRIZYAFEQQKRM-HOTGVXAUSA-N 1 1 325.372 0.018 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001047648879 759407194 /nfs/dbraw/zinc/40/71/94/759407194.db2.gz GRRIZYAFEQQKRM-HOTGVXAUSA-N 1 1 325.372 0.018 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001047649062 759408500 /nfs/dbraw/zinc/40/85/00/759408500.db2.gz MHUUIZANJNHRAH-GQGLESIBSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001047650093 759409722 /nfs/dbraw/zinc/40/97/22/759409722.db2.gz QEBPADWARNOSDR-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001047652751 759414934 /nfs/dbraw/zinc/41/49/34/759414934.db2.gz AADVRUWLVDMNMU-IRXDYDNUSA-N 1 1 343.427 0.806 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001047652751 759414942 /nfs/dbraw/zinc/41/49/42/759414942.db2.gz AADVRUWLVDMNMU-IRXDYDNUSA-N 1 1 343.427 0.806 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3nncn3C1)C2 ZINC001054244580 767861531 /nfs/dbraw/zinc/86/15/31/767861531.db2.gz HIRZFYSMQLMVKO-QAPCUYQASA-N 1 1 327.432 0.788 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001050011845 759546347 /nfs/dbraw/zinc/54/63/47/759546347.db2.gz SWOAFJXJOFSWIF-OSAQELSMSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC001050024805 759564936 /nfs/dbraw/zinc/56/49/36/759564936.db2.gz LEIHRUKTVAICPO-VBNZEHGJSA-N 1 1 341.415 0.653 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001054250588 767871287 /nfs/dbraw/zinc/87/12/87/767871287.db2.gz XDBYBWXVVGXYHK-RDTXWAMCSA-N 1 1 333.432 0.930 20 30 ECEDMO COCCc1nc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC001047836064 759587931 /nfs/dbraw/zinc/58/79/31/759587931.db2.gz MTXPDEWKXVCEKU-ZFWWWQNUSA-N 1 1 346.431 0.999 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001047863734 759621017 /nfs/dbraw/zinc/62/10/17/759621017.db2.gz IORLKFDEDLTUHU-ZIAGYGMSSA-N 1 1 343.435 0.838 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2CN([C@@H](C)c3n[nH]c(C)n3)C2)CC1 ZINC001032207244 759629861 /nfs/dbraw/zinc/62/98/61/759629861.db2.gz JKPKNMBFVLMKIV-ZDUSSCGKSA-N 1 1 344.463 0.567 20 30 ECEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)C3CS(=O)(=O)C3)cc2C1 ZINC001054266576 767882152 /nfs/dbraw/zinc/88/21/52/767882152.db2.gz AYJQQUDUTOWKFC-UHFFFAOYSA-N 1 1 332.425 0.686 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)C3CS(=O)(=O)C3)cc2C1 ZINC001054266576 767882145 /nfs/dbraw/zinc/88/21/45/767882145.db2.gz AYJQQUDUTOWKFC-UHFFFAOYSA-N 1 1 332.425 0.686 20 30 ECEDMO C#CCN1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100336 759702317 /nfs/dbraw/zinc/70/23/17/759702317.db2.gz ZOTDXIIWZGLMQC-RWBIUQBRSA-N 1 1 329.444 0.406 20 30 ECEDMO C#CCN1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100336 759702320 /nfs/dbraw/zinc/70/23/20/759702320.db2.gz ZOTDXIIWZGLMQC-RWBIUQBRSA-N 1 1 329.444 0.406 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 ZINC001050102207 759703625 /nfs/dbraw/zinc/70/36/25/759703625.db2.gz QERLUHHHNGKLFM-LSDHHAIUSA-N 1 1 333.436 0.471 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050103195 759707597 /nfs/dbraw/zinc/70/75/97/759707597.db2.gz JQZPNYRJDQQQFL-ZIAGYGMSSA-N 1 1 349.460 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]Cc3nnn(C)n3)C2)cc1 ZINC001047929678 759708946 /nfs/dbraw/zinc/70/89/46/759708946.db2.gz UNEYSWCCSHTZGA-CZUORRHYSA-N 1 1 338.415 0.832 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C)n1 ZINC001050106252 759716575 /nfs/dbraw/zinc/71/65/75/759716575.db2.gz NYVASECSLZRRIT-SNPRPXQTSA-N 1 1 344.419 0.071 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C)n1 ZINC001050106252 759716580 /nfs/dbraw/zinc/71/65/80/759716580.db2.gz NYVASECSLZRRIT-SNPRPXQTSA-N 1 1 344.419 0.071 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3nc4ccccn4c3=O)[C@@H]2C1 ZINC001050107471 759717832 /nfs/dbraw/zinc/71/78/32/759717832.db2.gz ITLURCWFFLOFLP-LSDHHAIUSA-N 1 1 339.399 0.052 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ccn[nH]3)C2)CC1 ZINC001012334948 759741328 /nfs/dbraw/zinc/74/13/28/759741328.db2.gz SMTCQLHGQJVEMO-ZFWWWQNUSA-N 1 1 343.431 0.474 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@@H](C)C#N)CC1(C)C ZINC000995566204 759801539 /nfs/dbraw/zinc/80/15/39/759801539.db2.gz UJHVIKBHKBQUFT-STQMWFEESA-N 1 1 333.440 0.959 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)nn1 ZINC001050160256 759825504 /nfs/dbraw/zinc/82/55/04/759825504.db2.gz VQSADVOSQYVTRI-KCQAQPDRSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)nn1 ZINC001050160256 759825517 /nfs/dbraw/zinc/82/55/17/759825517.db2.gz VQSADVOSQYVTRI-KCQAQPDRSA-N 1 1 346.435 0.135 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)C3CC(=O)NC(=O)C3)cc2C1 ZINC001054286014 767894643 /nfs/dbraw/zinc/89/46/43/767894643.db2.gz NDJIUMULNMAKGL-UHFFFAOYSA-N 1 1 339.395 0.695 20 30 ECEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)C3CC(=O)NC(=O)C3)cc2C1 ZINC001054286014 767894650 /nfs/dbraw/zinc/89/46/50/767894650.db2.gz NDJIUMULNMAKGL-UHFFFAOYSA-N 1 1 339.395 0.695 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(=O)n(CC)n3)[C@@H]2C1 ZINC001050166569 759844169 /nfs/dbraw/zinc/84/41/69/759844169.db2.gz YWRSSZFTINXBSK-GOEBONIOSA-N 1 1 328.416 0.823 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)NC(=O)CC)CC2)C1 ZINC001105709741 759856791 /nfs/dbraw/zinc/85/67/91/759856791.db2.gz UNCGJPBQBDSARI-CQSZACIVSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001050179578 759879953 /nfs/dbraw/zinc/87/99/53/759879953.db2.gz NXFIQEGBBSMJSL-OFQRWUPVSA-N 1 1 329.404 0.409 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=C)C)nn2)C1 ZINC001098672622 759904833 /nfs/dbraw/zinc/90/48/33/759904833.db2.gz GVVISOMGNYAIDB-MRXNPFEDSA-N 1 1 331.420 0.757 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001050192762 759908578 /nfs/dbraw/zinc/90/85/78/759908578.db2.gz UPEHCQZBHXLJKR-GVDBMIGSSA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001050192760 759908628 /nfs/dbraw/zinc/90/86/28/759908628.db2.gz UPEHCQZBHXLJKR-BBWFWOEESA-N 1 1 333.432 0.180 20 30 ECEDMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212138751 759930481 /nfs/dbraw/zinc/93/04/81/759930481.db2.gz FEOZUUIERPDGLS-QLFBSQMISA-N 1 1 347.419 0.359 20 30 ECEDMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212138751 759930484 /nfs/dbraw/zinc/93/04/84/759930484.db2.gz FEOZUUIERPDGLS-QLFBSQMISA-N 1 1 347.419 0.359 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)C[C@H](NC(=O)CC(N)=O)c1ccccc1O2 ZINC001111529337 759981169 /nfs/dbraw/zinc/98/11/69/759981169.db2.gz IPZFDCFECKJVBK-HNAYVOBHSA-N 1 1 341.411 0.970 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001012489544 760073522 /nfs/dbraw/zinc/07/35/22/760073522.db2.gz NGDCGMYOLYNXOI-RISCZKNCSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@@](C)(O)C2CC2)[C@H](OC)C1 ZINC001212141188 760181107 /nfs/dbraw/zinc/18/11/07/760181107.db2.gz HXWPARMJVBLZEE-BFYDXBDKSA-N 1 1 326.437 0.556 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1c1nccnc1C#N ZINC001050454181 760289319 /nfs/dbraw/zinc/28/93/19/760289319.db2.gz FSPPLRHGQDKRFD-RDBSUJKOSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)n(C)c2C)C1 ZINC000991335594 760353565 /nfs/dbraw/zinc/35/35/65/760353565.db2.gz CXWKRURMMDDHMG-KRWDZBQOSA-N 1 1 342.443 0.680 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)n(C)c2C)C1 ZINC000991335594 760353572 /nfs/dbraw/zinc/35/35/72/760353572.db2.gz CXWKRURMMDDHMG-KRWDZBQOSA-N 1 1 342.443 0.680 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2ncc3cc(C)cnc32)[C@@H](O)C1 ZINC001083646486 760367741 /nfs/dbraw/zinc/36/77/41/760367741.db2.gz GCRSTNFVQOOXCD-CABCVRRESA-N 1 1 329.404 0.477 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nncn1-c1ccccc1 ZINC001127047172 760473506 /nfs/dbraw/zinc/47/35/06/760473506.db2.gz YZJCPIPMJJCQGJ-CQSZACIVSA-N 1 1 327.388 0.511 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@@H]12 ZINC000991385354 760626030 /nfs/dbraw/zinc/62/60/30/760626030.db2.gz KXWPTEYVZXONJU-VQIMIIECSA-N 1 1 340.427 0.860 20 30 ECEDMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C2 ZINC001048516569 760647742 /nfs/dbraw/zinc/64/77/42/760647742.db2.gz KELOYUKDVZWXIJ-VIRABCJISA-N 1 1 343.431 0.994 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC001048531023 760669511 /nfs/dbraw/zinc/66/95/11/760669511.db2.gz SWGQLRZTBIRENJ-GJZGRUSLSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)CCC1 ZINC001048557364 760713453 /nfs/dbraw/zinc/71/34/53/760713453.db2.gz CDWXMKFINHVMAC-PMPSAXMXSA-N 1 1 347.459 0.304 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001050729258 760743843 /nfs/dbraw/zinc/74/38/43/760743843.db2.gz PIAMCGIRBGWGAG-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[NH+](CCOC)CC3)CC1 ZINC001050764735 760804360 /nfs/dbraw/zinc/80/43/60/760804360.db2.gz GDSIQKVFPCNTIT-UHFFFAOYSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001048708947 760991979 /nfs/dbraw/zinc/99/19/79/760991979.db2.gz NVBDTTADQILTPK-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1cncc(C#N)n1 ZINC001048711307 760996230 /nfs/dbraw/zinc/99/62/30/760996230.db2.gz VUQYYZKPPLMNCP-AEGPPILISA-N 1 1 328.420 0.773 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048711855 760997636 /nfs/dbraw/zinc/99/76/36/760997636.db2.gz FYPYICYIFZYBNS-IKGGRYGDSA-N 1 1 349.475 0.552 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3ncccn3)C[C@@H]2C1 ZINC001048728038 761054621 /nfs/dbraw/zinc/05/46/21/761054621.db2.gz RVCDFLYIKAEMBR-RQJABVFESA-N 1 1 342.403 0.353 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ncccn3)C[C@@H]2C1 ZINC001048728038 761054629 /nfs/dbraw/zinc/05/46/29/761054629.db2.gz RVCDFLYIKAEMBR-RQJABVFESA-N 1 1 342.403 0.353 20 30 ECEDMO COc1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)c(C)n1 ZINC001048728283 761056770 /nfs/dbraw/zinc/05/67/70/761056770.db2.gz YSBVPMLUWYZXEH-DFBGVHRSSA-N 1 1 329.404 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccn(C)c4)C[C@H]3C2)C1=O ZINC001048764061 761135983 /nfs/dbraw/zinc/13/59/83/761135983.db2.gz LPTRLFGJJCVVSO-BBWFWOEESA-N 1 1 342.443 0.816 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000991479709 761141796 /nfs/dbraw/zinc/14/17/96/761141796.db2.gz PFYNWJZQHFNLSG-HNNXBMFYSA-N 1 1 329.404 0.700 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC000991485291 761169562 /nfs/dbraw/zinc/16/95/62/761169562.db2.gz LVWVOTDONFCSPN-KRWDZBQOSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cc(C)no1 ZINC001050962462 761231132 /nfs/dbraw/zinc/23/11/32/761231132.db2.gz LXEKKEULBQXLRI-RDJZCZTQSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cc(C)no1 ZINC001050962462 761231141 /nfs/dbraw/zinc/23/11/41/761231141.db2.gz LXEKKEULBQXLRI-RDJZCZTQSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1OC ZINC001212149956 761318378 /nfs/dbraw/zinc/31/83/78/761318378.db2.gz LOZDYCJFWFNNIW-ARFHVFGLSA-N 1 1 337.464 0.624 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001051045282 761385621 /nfs/dbraw/zinc/38/56/21/761385621.db2.gz USQSUMLGWUUTGE-CVEARBPZSA-N 1 1 347.463 0.932 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001051045282 761385627 /nfs/dbraw/zinc/38/56/27/761385627.db2.gz USQSUMLGWUUTGE-CVEARBPZSA-N 1 1 347.463 0.932 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC2)C1 ZINC001105736432 761419814 /nfs/dbraw/zinc/41/98/14/761419814.db2.gz WWSMMDSEGWEYOH-KRWDZBQOSA-N 1 1 349.475 0.849 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC(OC2C[NH+](C[C@@H](C)O)C2)CC1 ZINC001105736248 761420010 /nfs/dbraw/zinc/42/00/10/761420010.db2.gz SIQGDFYGLHNRFG-KGLIPLIRSA-N 1 1 326.437 0.650 20 30 ECEDMO C=C(C)CCN1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082288 761456606 /nfs/dbraw/zinc/45/66/06/761456606.db2.gz XZKXEEAQXMOTJH-IAGOWNOFSA-N 1 1 339.480 0.879 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1[NH2+]Cc1ncnn1CCF ZINC001054547966 768037908 /nfs/dbraw/zinc/03/79/08/768037908.db2.gz NQEYCUHJGTZIAY-RISCZKNCSA-N 1 1 345.382 0.698 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H]2CCCOC2)c1 ZINC001051107372 761503154 /nfs/dbraw/zinc/50/31/54/761503154.db2.gz SKKYTTPAHFWXMF-SJLPKXTDSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H]2CCCOC2)c1 ZINC001051107372 761503156 /nfs/dbraw/zinc/50/31/56/761503156.db2.gz SKKYTTPAHFWXMF-SJLPKXTDSA-N 1 1 343.427 0.920 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001054548877 768038545 /nfs/dbraw/zinc/03/85/45/768038545.db2.gz QNCFJGLASDIACY-FZMZJTMJSA-N 1 1 342.407 0.704 20 30 ECEDMO CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001051110092 761508134 /nfs/dbraw/zinc/50/81/34/761508134.db2.gz BFLJOHXQFJDWMP-NVXWUHKLSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CCCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001051190700 761653797 /nfs/dbraw/zinc/65/37/97/761653797.db2.gz XSDFMENHSMVCSS-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1CCc2c(CNC(=O)C3CS(=O)(=O)C3)cccc2C1 ZINC001051291300 761836030 /nfs/dbraw/zinc/83/60/30/761836030.db2.gz OWDXJBSRRGUOSE-UHFFFAOYSA-N 1 1 346.452 0.729 20 30 ECEDMO C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@@H]3CNC(=O)N3)cccc2C1 ZINC001051298991 761852130 /nfs/dbraw/zinc/85/21/30/761852130.db2.gz CLWCLNITGAZKSZ-INIZCTEOSA-N 1 1 328.416 0.918 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001105915016 762727740 /nfs/dbraw/zinc/72/77/40/762727740.db2.gz OFZJRGDMTWGOQU-HZSPNIEDSA-N 1 1 336.440 0.375 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001017536621 768092766 /nfs/dbraw/zinc/09/27/66/768092766.db2.gz IQCMMOOEAIQJJV-DLBZAZTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001017536621 768092773 /nfs/dbraw/zinc/09/27/73/768092773.db2.gz IQCMMOOEAIQJJV-DLBZAZTESA-N 1 1 345.443 0.538 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051803319 763001922 /nfs/dbraw/zinc/00/19/22/763001922.db2.gz LZAUNAFQSLGATF-YOEHRIQHSA-N 1 1 348.451 0.927 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001014725691 763042784 /nfs/dbraw/zinc/04/27/84/763042784.db2.gz QMLDWHJPPLIJDO-HOTGVXAUSA-N 1 1 343.431 0.736 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)cn1 ZINC001089841503 763115486 /nfs/dbraw/zinc/11/54/86/763115486.db2.gz GAMFXEYHGOBGGN-AYDFFVQHSA-N 1 1 326.400 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2noc(CC)n2)C1 ZINC001014768297 763121254 /nfs/dbraw/zinc/12/12/54/763121254.db2.gz BIMDADQJYWHVRT-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2noc(CC)n2)C1 ZINC001014768297 763121258 /nfs/dbraw/zinc/12/12/58/763121258.db2.gz BIMDADQJYWHVRT-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)nc1 ZINC001046784095 763121667 /nfs/dbraw/zinc/12/16/67/763121667.db2.gz WXVIXTSYHRYTKL-MAUKXSAKSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCN(C)C3=O)C2)nc1 ZINC001046784095 763121672 /nfs/dbraw/zinc/12/16/72/763121672.db2.gz WXVIXTSYHRYTKL-MAUKXSAKSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)cn1 ZINC001089842067 763131195 /nfs/dbraw/zinc/13/11/95/763131195.db2.gz ICGHPMNICWADME-MPTYRVRUSA-N 1 1 340.427 0.586 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001014774392 763133567 /nfs/dbraw/zinc/13/35/67/763133567.db2.gz DFMZMOPQCQIXLX-WBVHZDCISA-N 1 1 329.448 0.251 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cncc(OC)n2)C1 ZINC001014778338 763138638 /nfs/dbraw/zinc/13/86/38/763138638.db2.gz DJDFQPGNMKTJAH-HOCLYGCPSA-N 1 1 343.431 0.273 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cncc(OC)n2)C1 ZINC001014778338 763138644 /nfs/dbraw/zinc/13/86/44/763138644.db2.gz DJDFQPGNMKTJAH-HOCLYGCPSA-N 1 1 343.431 0.273 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001051870072 763162103 /nfs/dbraw/zinc/16/21/03/763162103.db2.gz FWQLGNYJOGGWOV-AWEZNQCLSA-N 1 1 344.350 0.446 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c(C)nc[nH]c1=O ZINC001089850959 763172097 /nfs/dbraw/zinc/17/20/97/763172097.db2.gz RRTCYGURQDBZLJ-XGUBFFRZSA-N 1 1 326.400 0.906 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001046848814 763225782 /nfs/dbraw/zinc/22/57/82/763225782.db2.gz PVOIKCCTZZSRNM-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001046848814 763225788 /nfs/dbraw/zinc/22/57/88/763225788.db2.gz PVOIKCCTZZSRNM-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 ZINC001127684060 763354584 /nfs/dbraw/zinc/35/45/84/763354584.db2.gz HXVNWSJNDSBTCD-UHFFFAOYSA-N 1 1 328.420 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001046933570 763413770 /nfs/dbraw/zinc/41/37/70/763413770.db2.gz GBFAFNVEYZKMJD-GFCCVEGCSA-N 1 1 341.362 0.245 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001046933570 763413778 /nfs/dbraw/zinc/41/37/78/763413778.db2.gz GBFAFNVEYZKMJD-GFCCVEGCSA-N 1 1 341.362 0.245 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046946271 763436816 /nfs/dbraw/zinc/43/68/16/763436816.db2.gz VCMVRASCEGKNAO-OLZOCXBDSA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046946271 763436818 /nfs/dbraw/zinc/43/68/18/763436818.db2.gz VCMVRASCEGKNAO-OLZOCXBDSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)nc2COC)C1 ZINC001046953058 763452283 /nfs/dbraw/zinc/45/22/83/763452283.db2.gz FFDVWINWYHWGEN-LBPRGKRZSA-N 1 1 340.374 0.887 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)nc2COC)C1 ZINC001046953058 763452290 /nfs/dbraw/zinc/45/22/90/763452290.db2.gz FFDVWINWYHWGEN-LBPRGKRZSA-N 1 1 340.374 0.887 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001046953853 763454059 /nfs/dbraw/zinc/45/40/59/763454059.db2.gz LXZHBWHOBYGEIC-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001046953853 763454063 /nfs/dbraw/zinc/45/40/63/763454063.db2.gz LXZHBWHOBYGEIC-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc(CO)ccc2F)C1 ZINC001030464257 763455875 /nfs/dbraw/zinc/45/58/75/763455875.db2.gz MTJNSVLBFMLYGE-SFHVURJKSA-N 1 1 345.418 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc(CO)ccc2F)C1 ZINC001030464257 763455878 /nfs/dbraw/zinc/45/58/78/763455878.db2.gz MTJNSVLBFMLYGE-SFHVURJKSA-N 1 1 345.418 0.716 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046959683 763465814 /nfs/dbraw/zinc/46/58/14/763465814.db2.gz DNHCLOSFRGASPQ-LBPRGKRZSA-N 1 1 338.358 0.491 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046962521 763471315 /nfs/dbraw/zinc/47/13/15/763471315.db2.gz MLHMCBTUUYHHCL-VXGBXAGGSA-N 1 1 328.363 0.107 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001046964901 763476936 /nfs/dbraw/zinc/47/69/36/763476936.db2.gz ZPGGITCAMZBCME-QWHCGFSZSA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001046964901 763476939 /nfs/dbraw/zinc/47/69/39/763476939.db2.gz ZPGGITCAMZBCME-QWHCGFSZSA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001046970311 763488922 /nfs/dbraw/zinc/48/89/22/763488922.db2.gz IMIDUTDKZUOPTH-LLVKDONJSA-N 1 1 326.347 0.836 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001046970311 763488926 /nfs/dbraw/zinc/48/89/26/763488926.db2.gz IMIDUTDKZUOPTH-LLVKDONJSA-N 1 1 326.347 0.836 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001046974032 763494173 /nfs/dbraw/zinc/49/41/73/763494173.db2.gz CMBUHZLTRAOQRK-NSHDSACASA-N 1 1 338.358 0.824 20 30 ECEDMO Cc1cc(C#N)nc(NCCOCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001127319960 768139189 /nfs/dbraw/zinc/13/91/89/768139189.db2.gz HQXXUHYNWJSXIJ-AWEZNQCLSA-N 1 1 346.435 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001046985759 763516518 /nfs/dbraw/zinc/51/65/18/763516518.db2.gz ICTCFWAQSWACIB-LBPRGKRZSA-N 1 1 348.357 0.753 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001046985759 763516523 /nfs/dbraw/zinc/51/65/23/763516523.db2.gz ICTCFWAQSWACIB-LBPRGKRZSA-N 1 1 348.357 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001046986971 763517498 /nfs/dbraw/zinc/51/74/98/763517498.db2.gz QROSVOQPGSOELV-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001046986971 763517500 /nfs/dbraw/zinc/51/75/00/763517500.db2.gz QROSVOQPGSOELV-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3csc(=O)[nH]3)C2)C1=O ZINC001031914329 763546448 /nfs/dbraw/zinc/54/64/48/763546448.db2.gz HQRBRLAMBVHRNG-GFCCVEGCSA-N 1 1 336.417 0.297 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2nccnc2C#N)C1 ZINC001047023784 763564255 /nfs/dbraw/zinc/56/42/55/763564255.db2.gz VHFKTMKLQSCKOI-XDQVBPFNSA-N 1 1 328.420 0.853 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nc(C)no3)C2)nn1 ZINC000995112810 763564668 /nfs/dbraw/zinc/56/46/68/763564668.db2.gz MCLBRVUZCDZXJP-STQMWFEESA-N 1 1 345.407 0.844 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnnc(C)c3)C2)CC1 ZINC001052020614 763602636 /nfs/dbraw/zinc/60/26/36/763602636.db2.gz IOUSQRZSBBRYHK-QGZVFWFLSA-N 1 1 327.432 0.640 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)C1 ZINC001106003575 763603380 /nfs/dbraw/zinc/60/33/80/763603380.db2.gz DSCGGIVGSKHLKD-HIFRSBDPSA-N 1 1 346.435 0.215 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nn(C)cc3C)C2)CC1 ZINC001052025595 763617731 /nfs/dbraw/zinc/61/77/31/763617731.db2.gz HSYJAYPAYNUFGD-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cccc(C)c3=O)C2)CC1 ZINC001052029018 763624934 /nfs/dbraw/zinc/62/49/34/763624934.db2.gz WFYJPIHKCFDAMO-KRWDZBQOSA-N 1 1 344.459 0.561 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cccc(C)c3=O)C2)CC1 ZINC001052029018 763624942 /nfs/dbraw/zinc/62/49/42/763624942.db2.gz WFYJPIHKCFDAMO-KRWDZBQOSA-N 1 1 344.459 0.561 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052028929 763624997 /nfs/dbraw/zinc/62/49/97/763624997.db2.gz VAMMDMPJKUNOPQ-MOPGFXCFSA-N 1 1 344.503 0.570 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCc4cn[nH]c43)C2)CC1 ZINC001052028951 763625206 /nfs/dbraw/zinc/62/52/06/763625206.db2.gz VEYOTWCPMHSXBZ-SJORKVTESA-N 1 1 341.459 0.681 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccncc3C#N)C2)O1 ZINC001047071895 763629466 /nfs/dbraw/zinc/62/94/66/763629466.db2.gz YXHDCJJAFRIOSZ-GKLJAUDBSA-N 1 1 343.431 0.401 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccncc3C#N)C2)O1 ZINC001047071895 763629471 /nfs/dbraw/zinc/62/94/71/763629471.db2.gz YXHDCJJAFRIOSZ-GKLJAUDBSA-N 1 1 343.431 0.401 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031773 763634214 /nfs/dbraw/zinc/63/42/14/763634214.db2.gz WNVABCQJLXPGLQ-KRWDZBQOSA-N 1 1 329.448 0.297 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)nnc3C)C2)CC1 ZINC001052033734 763637688 /nfs/dbraw/zinc/63/76/88/763637688.db2.gz UJSDHFHPVSDWJW-MRXNPFEDSA-N 1 1 327.432 0.559 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C2)CC1 ZINC001052035855 763644720 /nfs/dbraw/zinc/64/47/20/763644720.db2.gz RRRJPZSLBJNINM-CQSZACIVSA-N 1 1 340.431 0.976 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCn3ccccc3=O)C2)CC1 ZINC001052036097 763646356 /nfs/dbraw/zinc/64/63/56/763646356.db2.gz ZKMDZNJXIPCIQG-QGZVFWFLSA-N 1 1 342.443 0.090 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001052036162 763647752 /nfs/dbraw/zinc/64/77/52/763647752.db2.gz GUSUQEMBWMXRII-GOSISDBHSA-N 1 1 332.492 0.713 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052036839 763651156 /nfs/dbraw/zinc/65/11/56/763651156.db2.gz WAFPRKXAHDFFBH-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnccc3C)C2)CC1 ZINC001052037290 763653635 /nfs/dbraw/zinc/65/36/35/763653635.db2.gz JXUIJGAYBLAUIJ-SFHVURJKSA-N 1 1 326.444 0.784 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001052040480 763662788 /nfs/dbraw/zinc/66/27/88/763662788.db2.gz AWOAQPIYOPNUAV-ROUUACIJSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C2)CC1 ZINC001052042239 763671323 /nfs/dbraw/zinc/67/13/23/763671323.db2.gz ZTSJXHDGVKILJL-MRXNPFEDSA-N 1 1 329.448 0.366 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CCCOC2)C1 ZINC000991808435 763671291 /nfs/dbraw/zinc/67/12/91/763671291.db2.gz YDWUWUYCQZHOMY-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CCCOC2)C1 ZINC000991808435 763671295 /nfs/dbraw/zinc/67/12/95/763671295.db2.gz YDWUWUYCQZHOMY-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)no1 ZINC001106009614 763679901 /nfs/dbraw/zinc/67/99/01/763679901.db2.gz CSJVHMVCKZWGEO-LBPRGKRZSA-N 1 1 344.375 0.206 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045441 763683530 /nfs/dbraw/zinc/68/35/30/763683530.db2.gz SXBAVNIAHMCKQW-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC001052048177 763695105 /nfs/dbraw/zinc/69/51/05/763695105.db2.gz NFJPXBAQRNKWIM-CQSZACIVSA-N 1 1 329.448 0.917 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052048533 763696223 /nfs/dbraw/zinc/69/62/23/763696223.db2.gz WXQCGSNHGBHNDK-ROUUACIJSA-N 1 1 347.507 0.849 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001052048427 763696511 /nfs/dbraw/zinc/69/65/11/763696511.db2.gz UBAXYDWMECLUOX-MOPGFXCFSA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052051919 763712549 /nfs/dbraw/zinc/71/25/49/763712549.db2.gz FYJHCJHMOOEXGG-INIZCTEOSA-N 1 1 328.416 0.181 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)CC1 ZINC001052054776 763721643 /nfs/dbraw/zinc/72/16/43/763721643.db2.gz CRXONUZJUNKROP-IAGOWNOFSA-N 1 1 347.463 0.512 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3nc(C)no3)C2)CC1 ZINC001052059290 763737566 /nfs/dbraw/zinc/73/75/66/763737566.db2.gz GCYSPDJEKOLQOR-HNNXBMFYSA-N 1 1 333.436 0.715 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3nc(C)no3)C2)CC1 ZINC001052059290 763737574 /nfs/dbraw/zinc/73/75/74/763737574.db2.gz GCYSPDJEKOLQOR-HNNXBMFYSA-N 1 1 333.436 0.715 20 30 ECEDMO COC1CCC(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052072947 763777131 /nfs/dbraw/zinc/77/71/31/763777131.db2.gz DESPFOUUDVUCPU-CGZBRXJRSA-N 1 1 334.464 0.934 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccnc3OC)C2)CC1 ZINC001052074471 763779573 /nfs/dbraw/zinc/77/95/73/763779573.db2.gz DWKIFMIWWGCHGK-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CC3=CCOCC3)C2)CC1 ZINC001052074862 763780814 /nfs/dbraw/zinc/78/08/14/763780814.db2.gz NSQLWLZNDGXMHD-GOSISDBHSA-N 1 1 331.460 0.965 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C(N)=O)co3)C2)CC1 ZINC001052079172 763791781 /nfs/dbraw/zinc/79/17/81/763791781.db2.gz FPTCFJWRLNGXGV-OAHLLOKOSA-N 1 1 344.415 0.234 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052079226 763792134 /nfs/dbraw/zinc/79/21/34/763792134.db2.gz GOISZTXYLKQYQR-CVEARBPZSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052079226 763792136 /nfs/dbraw/zinc/79/21/36/763792136.db2.gz GOISZTXYLKQYQR-CVEARBPZSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 ZINC001052083209 763804258 /nfs/dbraw/zinc/80/42/58/763804258.db2.gz MADYFQGMGXSRSW-PMPSAXMXSA-N 1 1 334.464 0.293 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 ZINC001052083209 763804266 /nfs/dbraw/zinc/80/42/66/763804266.db2.gz MADYFQGMGXSRSW-PMPSAXMXSA-N 1 1 334.464 0.293 20 30 ECEDMO COc1cc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)ccn1 ZINC001052083115 763804475 /nfs/dbraw/zinc/80/44/75/763804475.db2.gz JNDQTKWBEFVCMD-INIZCTEOSA-N 1 1 343.431 0.375 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1 ZINC000941570999 763806666 /nfs/dbraw/zinc/80/66/66/763806666.db2.gz IHIVQBRQPPCIOP-IAGOWNOFSA-N 1 1 341.459 0.375 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052083928 763807042 /nfs/dbraw/zinc/80/70/42/763807042.db2.gz QZMRWNTYJZAPCL-SFHVURJKSA-N 1 1 346.519 0.960 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052083928 763807049 /nfs/dbraw/zinc/80/70/49/763807049.db2.gz QZMRWNTYJZAPCL-SFHVURJKSA-N 1 1 346.519 0.960 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052086445 763815094 /nfs/dbraw/zinc/81/50/94/763815094.db2.gz AJISHCRUXVXVRE-CQSZACIVSA-N 1 1 336.827 0.279 20 30 ECEDMO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(=O)[nH]1 ZINC001052087301 763816555 /nfs/dbraw/zinc/81/65/55/763816555.db2.gz RJUWEEPADMTFDK-AWEZNQCLSA-N 1 1 329.404 0.451 20 30 ECEDMO C#CCOCCC(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]c(CC)n1 ZINC001124520931 763818707 /nfs/dbraw/zinc/81/87/07/763818707.db2.gz YIJPDANEQHEVAY-CQSZACIVSA-N 1 1 334.420 0.619 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001047234566 763824061 /nfs/dbraw/zinc/82/40/61/763824061.db2.gz YLCXASKFAQNSQU-GZBFAFLISA-N 1 1 344.419 0.376 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001047234566 763824065 /nfs/dbraw/zinc/82/40/65/763824065.db2.gz YLCXASKFAQNSQU-GZBFAFLISA-N 1 1 344.419 0.376 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052092749 763835248 /nfs/dbraw/zinc/83/52/48/763835248.db2.gz IDEDWZQFKJMLLB-INIZCTEOSA-N 1 1 344.463 0.749 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccc(C#N)nc2)C1 ZINC001106343873 768170359 /nfs/dbraw/zinc/17/03/59/768170359.db2.gz DZFAFALZEPDYTG-CZUORRHYSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccc(C#N)nc2)C1 ZINC001106343873 768170363 /nfs/dbraw/zinc/17/03/63/768170363.db2.gz DZFAFALZEPDYTG-CZUORRHYSA-N 1 1 331.420 0.981 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCn3cnccc3=O)C2)CC1 ZINC001052101979 763865111 /nfs/dbraw/zinc/86/51/11/763865111.db2.gz BSMMWXPFLRRHIH-INIZCTEOSA-N 1 1 345.447 0.038 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCn3cnccc3=O)C2)CC1 ZINC001052101979 763865118 /nfs/dbraw/zinc/86/51/18/763865118.db2.gz BSMMWXPFLRRHIH-INIZCTEOSA-N 1 1 345.447 0.038 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(C(C)C)c3)C2)CC1 ZINC001052108276 763890367 /nfs/dbraw/zinc/89/03/67/763890367.db2.gz LSUUMZUUJBCIAT-QGZVFWFLSA-N 1 1 329.448 0.929 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccncc2C#N)C1 ZINC001106344917 768173914 /nfs/dbraw/zinc/17/39/14/768173914.db2.gz SETCKDZPSQNPGI-BBRMVZONSA-N 1 1 331.420 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccncc2C#N)C1 ZINC001106344917 768173921 /nfs/dbraw/zinc/17/39/21/768173921.db2.gz SETCKDZPSQNPGI-BBRMVZONSA-N 1 1 331.420 0.403 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn4ccccc4n3)C2)CC1 ZINC001052113522 763912317 /nfs/dbraw/zinc/91/23/17/763912317.db2.gz XSYYHRLMEFZXAW-INIZCTEOSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3c(C)n[nH]c3C)C2)CC1 ZINC001052117687 763930240 /nfs/dbraw/zinc/93/02/40/763930240.db2.gz XFGSOYYWFRPWFO-KRWDZBQOSA-N 1 1 343.475 0.811 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cnn(C)c3)C2)CC1 ZINC001052118280 763931375 /nfs/dbraw/zinc/93/13/75/763931375.db2.gz BIHHHRQRXGGOGP-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cnn(C)c3)C2)CC1 ZINC001052118280 763931380 /nfs/dbraw/zinc/93/13/80/763931380.db2.gz BIHHHRQRXGGOGP-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)CC1 ZINC001052118287 763932002 /nfs/dbraw/zinc/93/20/02/763932002.db2.gz BLTQKATUVKJXNE-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)CC1 ZINC001052118287 763932008 /nfs/dbraw/zinc/93/20/08/763932008.db2.gz BLTQKATUVKJXNE-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052119049 763934915 /nfs/dbraw/zinc/93/49/15/763934915.db2.gz IEFFYTKVMORNOQ-WBVHZDCISA-N 1 1 341.459 0.366 20 30 ECEDMO CCc1nc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cs1 ZINC001052118993 763935510 /nfs/dbraw/zinc/93/55/10/763935510.db2.gz GAEYQAJBQQPRHG-OAHLLOKOSA-N 1 1 347.488 0.990 20 30 ECEDMO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)C1CCOCC1 ZINC001052126147 763955018 /nfs/dbraw/zinc/95/50/18/763955018.db2.gz IWGWYIWWGWGPSA-DOTOQJQBSA-N 1 1 334.464 0.791 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C3CCOCC3)C2)CC1 ZINC001052127338 763955930 /nfs/dbraw/zinc/95/59/30/763955930.db2.gz VUPHXCKCBUVBNL-FUHWJXTLSA-N 1 1 333.476 0.901 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCO[C@H]3C=C)C2)C1=O ZINC001031988196 763997303 /nfs/dbraw/zinc/99/73/03/763997303.db2.gz ORWBPCQPYSRAGW-OAGGEKHMSA-N 1 1 333.432 0.412 20 30 ECEDMO C=CCCC(=O)NCC[NH2+]Cc1coc(S(=O)(=O)N(C)C)c1 ZINC001124635867 764026094 /nfs/dbraw/zinc/02/60/94/764026094.db2.gz BKLWAARNSHTWKE-UHFFFAOYSA-N 1 1 329.422 0.702 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001047337772 764044713 /nfs/dbraw/zinc/04/47/13/764044713.db2.gz IMPWNKGGFBRVHX-IRXDYDNUSA-N 1 1 346.431 0.820 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001052221870 764083915 /nfs/dbraw/zinc/08/39/15/764083915.db2.gz UYFNFOSEBNXDBQ-LSDHHAIUSA-N 1 1 325.453 0.742 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001047354493 764093230 /nfs/dbraw/zinc/09/32/30/764093230.db2.gz ZNPRBTCRVYOFJH-KBMXLJTQSA-N 1 1 332.404 0.573 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](CNCc3cnon3)C2)CC1 ZINC000995228035 764104777 /nfs/dbraw/zinc/10/47/77/764104777.db2.gz HAFGEKYRXACAHP-HOCLYGCPSA-N 1 1 345.447 0.789 20 30 ECEDMO CN(C(=O)c1ncn(C)n1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047373012 764146519 /nfs/dbraw/zinc/14/65/19/764146519.db2.gz UFBCSKLVVHQCCQ-GJZGRUSLSA-N 1 1 340.387 0.004 20 30 ECEDMO CN(C(=O)c1ncn(C)n1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047373012 764146527 /nfs/dbraw/zinc/14/65/27/764146527.db2.gz UFBCSKLVVHQCCQ-GJZGRUSLSA-N 1 1 340.387 0.004 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@H]1C ZINC001106971231 764163545 /nfs/dbraw/zinc/16/35/45/764163545.db2.gz MKXOEDLEHPRAFI-UKRRQHHQSA-N 1 1 341.415 0.905 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nn(C)c3ccccc23)C1 ZINC001047379456 764165511 /nfs/dbraw/zinc/16/55/11/764165511.db2.gz ARGWWCCBJBCESZ-IRXDYDNUSA-N 1 1 326.400 0.253 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nn(C)c3ccccc23)C1 ZINC001047379456 764165512 /nfs/dbraw/zinc/16/55/12/764165512.db2.gz ARGWWCCBJBCESZ-IRXDYDNUSA-N 1 1 326.400 0.253 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3cc[nH]n3)CC2)C1=O ZINC001052269952 764166893 /nfs/dbraw/zinc/16/68/93/764166893.db2.gz CVOLOKRDUWOUDW-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001089867205 764167530 /nfs/dbraw/zinc/16/75/30/764167530.db2.gz HOUQFCYJWYYDJM-WSMBLCCSSA-N 1 1 340.427 0.919 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc([C@@H](C)OC)n2)C1 ZINC001047379987 764168540 /nfs/dbraw/zinc/16/85/40/764168540.db2.gz UGTCWVNRIWJPTM-XBFCOCLRSA-N 1 1 337.445 0.991 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001106975826 764184211 /nfs/dbraw/zinc/18/42/11/764184211.db2.gz HHKCVQYYKFNCNO-DOTOQJQBSA-N 1 1 343.431 0.499 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001047409617 764257206 /nfs/dbraw/zinc/25/72/06/764257206.db2.gz PGWQKOXZHMHZNW-STQMWFEESA-N 1 1 344.337 0.586 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001047409617 764257213 /nfs/dbraw/zinc/25/72/13/764257213.db2.gz PGWQKOXZHMHZNW-STQMWFEESA-N 1 1 344.337 0.586 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC(F)F)n2)C1 ZINC001047419347 764289302 /nfs/dbraw/zinc/28/93/02/764289302.db2.gz IFNMLGXJBVSISC-STQMWFEESA-N 1 1 326.347 0.289 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)CNc2nccnc2C#N)C1 ZINC001106069547 764302555 /nfs/dbraw/zinc/30/25/55/764302555.db2.gz UGYMPZUYCYTGJM-ZIAGYGMSSA-N 1 1 346.435 0.359 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001047424092 764303151 /nfs/dbraw/zinc/30/31/51/764303151.db2.gz WZZYWXSFTJZOMW-STQMWFEESA-N 1 1 330.392 0.126 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(C)nc(C)n3)C2)C1=O ZINC001032050205 764311455 /nfs/dbraw/zinc/31/14/55/764311455.db2.gz PFGLYZPRYUTMBC-MRXNPFEDSA-N 1 1 343.431 0.542 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001212188938 764324293 /nfs/dbraw/zinc/32/42/93/764324293.db2.gz JZZGURLRUBEWKD-RBSFLKMASA-N 1 1 331.420 0.384 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001047450432 764383013 /nfs/dbraw/zinc/38/30/13/764383013.db2.gz VYRIRYAPLZYBOJ-ULQDDVLXSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001047461206 764414268 /nfs/dbraw/zinc/41/42/68/764414268.db2.gz WLIKZCRNGGNEDY-HOTGVXAUSA-N 1 1 341.415 0.267 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001047462515 764417606 /nfs/dbraw/zinc/41/76/06/764417606.db2.gz GOBXXGHLGAXZGB-RYUDHWBXSA-N 1 1 333.417 0.836 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001047462515 764417613 /nfs/dbraw/zinc/41/76/13/764417613.db2.gz GOBXXGHLGAXZGB-RYUDHWBXSA-N 1 1 333.417 0.836 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)c3cccnc32)C1 ZINC001047465894 764424079 /nfs/dbraw/zinc/42/40/79/764424079.db2.gz HNVHDRTYWBNMCM-HOTGVXAUSA-N 1 1 343.431 0.819 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015356249 764427100 /nfs/dbraw/zinc/42/71/00/764427100.db2.gz JOBJXSHDDZPBJF-ZACQAIPSSA-N 1 1 335.448 0.080 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015356249 764427104 /nfs/dbraw/zinc/42/71/04/764427104.db2.gz JOBJXSHDDZPBJF-ZACQAIPSSA-N 1 1 335.448 0.080 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001047472821 764442290 /nfs/dbraw/zinc/44/22/90/764442290.db2.gz GJSZPOQUHYACMT-QEJZJMRPSA-N 1 1 332.404 0.054 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001047472821 764442293 /nfs/dbraw/zinc/44/22/93/764442293.db2.gz GJSZPOQUHYACMT-QEJZJMRPSA-N 1 1 332.404 0.054 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083780279 764450456 /nfs/dbraw/zinc/45/04/56/764450456.db2.gz QSDDDWKSLKPBPX-OLMNPRSZSA-N 1 1 342.443 0.561 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001052428021 764472391 /nfs/dbraw/zinc/47/23/91/764472391.db2.gz DPVAKUVRABDNIK-ZDUSSCGKSA-N 1 1 349.884 0.745 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001047482343 764478740 /nfs/dbraw/zinc/47/87/40/764478740.db2.gz SCKFGIMVMQLWHQ-OKZBNKHCSA-N 1 1 328.412 0.827 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001077579670 764497543 /nfs/dbraw/zinc/49/75/43/764497543.db2.gz LQECMEZQHMGKEW-BFHYXJOUSA-N 1 1 331.407 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccncn3)[C@H]2C)C1=O ZINC001088930669 764503086 /nfs/dbraw/zinc/50/30/86/764503086.db2.gz OPPORRACYPULKU-IPYPFGDCSA-N 1 1 329.404 0.456 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccncn3)[C@H]2C)C1=O ZINC001088930669 764503092 /nfs/dbraw/zinc/50/30/92/764503092.db2.gz OPPORRACYPULKU-IPYPFGDCSA-N 1 1 329.404 0.456 20 30 ECEDMO CN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047500269 764521755 /nfs/dbraw/zinc/52/17/55/764521755.db2.gz BOWWAEFTDSMJMH-IKGGRYGDSA-N 1 1 334.464 0.811 20 30 ECEDMO CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047505823 764541710 /nfs/dbraw/zinc/54/17/10/764541710.db2.gz YCJDCYJCAJQQRJ-XIRDDKMYSA-N 1 1 330.432 0.281 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098766764 764564612 /nfs/dbraw/zinc/56/46/12/764564612.db2.gz GRBKBTUNSOOIOB-WBVHZDCISA-N 1 1 344.463 0.506 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766764 764564621 /nfs/dbraw/zinc/56/46/21/764564621.db2.gz GRBKBTUNSOOIOB-WBVHZDCISA-N 1 1 344.463 0.506 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089874424 764586962 /nfs/dbraw/zinc/58/69/62/764586962.db2.gz HDDZTSWXMRRXAU-UKMLZYKCSA-N 1 1 345.443 0.784 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2ncn3C)C1 ZINC001047524152 764587148 /nfs/dbraw/zinc/58/71/48/764587148.db2.gz CPGHRUWJMRPBFH-KBPBESRZSA-N 1 1 327.388 0.109 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001047524123 764587444 /nfs/dbraw/zinc/58/74/44/764587444.db2.gz BQUUWQLYPFKVHX-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001047529628 764609394 /nfs/dbraw/zinc/60/93/94/764609394.db2.gz JUDKQESBXZRVKE-IWCQGFGOSA-N 1 1 349.431 0.886 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001047529628 764609400 /nfs/dbraw/zinc/60/94/00/764609400.db2.gz JUDKQESBXZRVKE-IWCQGFGOSA-N 1 1 349.431 0.886 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(CC)ncnc2CC)C1 ZINC001047530650 764612512 /nfs/dbraw/zinc/61/25/12/764612512.db2.gz ABXHQHPXIWBGEA-HOTGVXAUSA-N 1 1 330.432 0.742 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(CC)ncnc2CC)C1 ZINC001047530650 764612516 /nfs/dbraw/zinc/61/25/16/764612516.db2.gz ABXHQHPXIWBGEA-HOTGVXAUSA-N 1 1 330.432 0.742 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cnnn2)C1 ZINC001089880839 764638905 /nfs/dbraw/zinc/63/89/05/764638905.db2.gz OHABUYACBQPHRM-VGWMRTNUSA-N 1 1 328.420 0.255 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001047548706 764660946 /nfs/dbraw/zinc/66/09/46/764660946.db2.gz HCVWPQGIQFRSQC-ZOBUZTSGSA-N 1 1 332.375 0.656 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC1 ZINC001052516919 764669412 /nfs/dbraw/zinc/66/94/12/764669412.db2.gz SGNCHJOMGWOTLK-AWEZNQCLSA-N 1 1 342.403 0.927 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC001047554847 764682351 /nfs/dbraw/zinc/68/23/51/764682351.db2.gz MXSKDZHJXVSEDJ-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC001047568037 764715441 /nfs/dbraw/zinc/71/54/41/764715441.db2.gz HGHJNJCCFWHSSV-GJZGRUSLSA-N 1 1 332.448 0.858 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC001047568037 764715448 /nfs/dbraw/zinc/71/54/48/764715448.db2.gz HGHJNJCCFWHSSV-GJZGRUSLSA-N 1 1 332.448 0.858 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)nc1 ZINC001088990585 764716572 /nfs/dbraw/zinc/71/65/72/764716572.db2.gz DXFPGWZFVUJJFQ-HIFRSBDPSA-N 1 1 341.415 0.281 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088991226 764723123 /nfs/dbraw/zinc/72/31/23/764723123.db2.gz PARYXKCPWVLMLN-KCXAZCMYSA-N 1 1 326.400 0.916 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001052547393 764730560 /nfs/dbraw/zinc/73/05/60/764730560.db2.gz FOARBJYTQYTNKR-RDJZCZTQSA-N 1 1 347.459 0.333 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001047572232 764732724 /nfs/dbraw/zinc/73/27/24/764732724.db2.gz KKMKPJYAGHDLGX-JYJNAYRXSA-N 1 1 329.400 0.551 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(CC)on3)C2)C1=O ZINC001032135949 764786553 /nfs/dbraw/zinc/78/65/53/764786553.db2.gz VARHRFRHJIRRMN-HNNXBMFYSA-N 1 1 332.404 0.686 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001032136538 764787467 /nfs/dbraw/zinc/78/74/67/764787467.db2.gz OZTGNRRLYFNNPS-CYBMUJFWSA-N 1 1 344.415 0.232 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC001052586398 764802112 /nfs/dbraw/zinc/80/21/12/764802112.db2.gz IZGNQOADSIEGDW-CQSZACIVSA-N 1 1 341.415 0.939 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1 ZINC001015505238 764821842 /nfs/dbraw/zinc/82/18/42/764821842.db2.gz SSLKBEMJWHAIBS-GOEBONIOSA-N 1 1 342.399 0.416 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c(C)nn(C)c3F)C2)C1=O ZINC001032157730 764832151 /nfs/dbraw/zinc/83/21/51/764832151.db2.gz FDGMALAIPISVAR-ZDUSSCGKSA-N 1 1 349.410 0.316 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001047598922 764834590 /nfs/dbraw/zinc/83/45/90/764834590.db2.gz BAXPMQHPAODIAH-GJZGRUSLSA-N 1 1 332.404 0.134 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001052609628 764843627 /nfs/dbraw/zinc/84/36/27/764843627.db2.gz XEQOHCWUKYPADX-CYBMUJFWSA-N 1 1 344.423 0.854 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001047602030 764846539 /nfs/dbraw/zinc/84/65/39/764846539.db2.gz VTGREWYGDCJVEZ-IRXDYDNUSA-N 1 1 331.416 0.877 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001015513433 764846777 /nfs/dbraw/zinc/84/67/77/764846777.db2.gz DPGLBIYKYZZRBR-GXFFZTMASA-N 1 1 333.417 0.334 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001015513433 764846786 /nfs/dbraw/zinc/84/67/86/764846786.db2.gz DPGLBIYKYZZRBR-GXFFZTMASA-N 1 1 333.417 0.334 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001052670361 764970034 /nfs/dbraw/zinc/97/00/34/764970034.db2.gz DEOJWTDAHTUBHK-GHMZBOCLSA-N 1 1 345.241 0.547 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001052670361 764970039 /nfs/dbraw/zinc/97/00/39/764970039.db2.gz DEOJWTDAHTUBHK-GHMZBOCLSA-N 1 1 345.241 0.547 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000991989478 765079574 /nfs/dbraw/zinc/07/95/74/765079574.db2.gz CILFCZBUWDDTGJ-SSDMNJCBSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC000991991854 765090506 /nfs/dbraw/zinc/09/05/06/765090506.db2.gz JVUNXLBBRZAHFL-ZDUSSCGKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000991996960 765099980 /nfs/dbraw/zinc/09/99/80/765099980.db2.gz WAMUGGPNJLDZTE-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001099102931 765103164 /nfs/dbraw/zinc/10/31/64/765103164.db2.gz RNMDXLJYMQGOPD-CQSZACIVSA-N 1 1 343.493 0.815 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CSCC#N)C1 ZINC001052781622 765108151 /nfs/dbraw/zinc/10/81/51/765108151.db2.gz AZRLVHQHGRYMJT-UONOGXRCSA-N 1 1 340.493 0.794 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)CC1 ZINC001052783228 765113356 /nfs/dbraw/zinc/11/33/56/765113356.db2.gz BPYRMOPWDXCIEN-ZBFHGGJFSA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)CC1 ZINC001052783228 765113360 /nfs/dbraw/zinc/11/33/60/765113360.db2.gz BPYRMOPWDXCIEN-ZBFHGGJFSA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)CC1 ZINC001052783227 765113615 /nfs/dbraw/zinc/11/36/15/765113615.db2.gz BPYRMOPWDXCIEN-HOCLYGCPSA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)CC1 ZINC001052783227 765113618 /nfs/dbraw/zinc/11/36/18/765113618.db2.gz BPYRMOPWDXCIEN-HOCLYGCPSA-N 1 1 326.462 0.948 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001052784292 765116557 /nfs/dbraw/zinc/11/65/57/765116557.db2.gz PNJRGWBODBLFNH-TXKKKEFDSA-N 1 1 348.447 0.912 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001052785696 765117612 /nfs/dbraw/zinc/11/76/12/765117612.db2.gz KWFVRNZCCUXLBG-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC001052796570 765136748 /nfs/dbraw/zinc/13/67/48/765136748.db2.gz SEVFASXNZMHRDI-AWEZNQCLSA-N 1 1 341.415 0.939 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CCC(=O)N1 ZINC001015663099 765138115 /nfs/dbraw/zinc/13/81/15/765138115.db2.gz QPNZBMIGCRIKGB-BZNIZROVSA-N 1 1 332.429 0.979 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CCC(=O)N1 ZINC001015663099 765138121 /nfs/dbraw/zinc/13/81/21/765138121.db2.gz QPNZBMIGCRIKGB-BZNIZROVSA-N 1 1 332.429 0.979 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001015676889 765148891 /nfs/dbraw/zinc/14/88/91/765148891.db2.gz QCMPNEHPTLUGJN-UONOGXRCSA-N 1 1 326.462 0.968 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001015676889 765148898 /nfs/dbraw/zinc/14/88/98/765148898.db2.gz QCMPNEHPTLUGJN-UONOGXRCSA-N 1 1 326.462 0.968 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccncn3)CC2)C1=O ZINC001052804707 765154212 /nfs/dbraw/zinc/15/42/12/765154212.db2.gz AQYXDLODJVNQAR-GOEBONIOSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001015698380 765183978 /nfs/dbraw/zinc/18/39/78/765183978.db2.gz KDBYCLDEERZFRF-HRCADAONSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cccnc3C)C2)C1=O ZINC001015699802 765184914 /nfs/dbraw/zinc/18/49/14/765184914.db2.gz BXLSJGBSGQDBMJ-IAGOWNOFSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cccnc3C)C2)C1=O ZINC001015699802 765184918 /nfs/dbraw/zinc/18/49/18/765184918.db2.gz BXLSJGBSGQDBMJ-IAGOWNOFSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCN3CCCC3=O)C2)nn1 ZINC001098785621 768276180 /nfs/dbraw/zinc/27/61/80/768276180.db2.gz WDDLPROVRXKDAE-HNNXBMFYSA-N 1 1 346.435 0.340 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C)[nH]c3=O)C2)C1=O ZINC001015757079 765274176 /nfs/dbraw/zinc/27/41/76/765274176.db2.gz FAOFWKQOEFQUPR-ZFWWWQNUSA-N 1 1 344.415 0.687 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)[nH]c3=O)C2)C1=O ZINC001015757079 765274178 /nfs/dbraw/zinc/27/41/78/765274178.db2.gz FAOFWKQOEFQUPR-ZFWWWQNUSA-N 1 1 344.415 0.687 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)CC2)nc1 ZINC001052875335 765276527 /nfs/dbraw/zinc/27/65/27/765276527.db2.gz MMYPAUJLHXCEDQ-HOCLYGCPSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)nc1 ZINC001052876647 765279261 /nfs/dbraw/zinc/27/92/61/765279261.db2.gz YNIVZMGYIUZKIE-ZFWWWQNUSA-N 1 1 328.416 0.782 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001015829466 765392759 /nfs/dbraw/zinc/39/27/59/765392759.db2.gz TWUOVPWRNOCKPM-KMFMINBZSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001015829466 765392768 /nfs/dbraw/zinc/39/27/68/765392768.db2.gz TWUOVPWRNOCKPM-KMFMINBZSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 ZINC000992087286 765434813 /nfs/dbraw/zinc/43/48/13/765434813.db2.gz VIIYKXQBQFBMLA-BBRMVZONSA-N 1 1 340.855 0.284 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 ZINC000992087286 765434819 /nfs/dbraw/zinc/43/48/19/765434819.db2.gz VIIYKXQBQFBMLA-BBRMVZONSA-N 1 1 340.855 0.284 20 30 ECEDMO Cn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC001015847537 765435511 /nfs/dbraw/zinc/43/55/11/765435511.db2.gz WOJQRDONYVVLPJ-AWEZNQCLSA-N 1 1 340.387 0.722 20 30 ECEDMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC001015847537 765435516 /nfs/dbraw/zinc/43/55/16/765435516.db2.gz WOJQRDONYVVLPJ-AWEZNQCLSA-N 1 1 340.387 0.722 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001052982501 765456676 /nfs/dbraw/zinc/45/66/76/765456676.db2.gz VFNMOZNTPDRBKN-IRXDYDNUSA-N 1 1 349.475 0.723 20 30 ECEDMO Cc1cc(NCCOCCN(C)C(=O)[C@@H]2CCC[N@H+]2C)c(C#N)cn1 ZINC001127232732 765460986 /nfs/dbraw/zinc/46/09/86/765460986.db2.gz HYZDMBUXPNXBRJ-KRWDZBQOSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnc(C)nc3C)C2)C1=O ZINC001015868998 765468967 /nfs/dbraw/zinc/46/89/67/765468967.db2.gz FWZSGQBFTVXXJJ-ZBFHGGJFSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnc(C)nc3C)C2)C1=O ZINC001015868998 765468968 /nfs/dbraw/zinc/46/89/68/765468968.db2.gz FWZSGQBFTVXXJJ-ZBFHGGJFSA-N 1 1 343.431 0.684 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001053019940 765492559 /nfs/dbraw/zinc/49/25/59/765492559.db2.gz PWJGDBQNWMZYPO-CVEARBPZSA-N 1 1 345.447 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001053030209 765502446 /nfs/dbraw/zinc/50/24/46/765502446.db2.gz COQBUSPULMWMTL-HZPDHXFCSA-N 1 1 345.447 0.166 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001053052301 765529049 /nfs/dbraw/zinc/52/90/49/765529049.db2.gz UITLYRNWCGVSLN-HUUCEWRRSA-N 1 1 346.431 0.122 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(CCC)nn3)C2)C1=O ZINC001015915428 765543141 /nfs/dbraw/zinc/54/31/41/765543141.db2.gz QXFFBUNDGUOBOR-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cn(CCC)nn3)C2)C1=O ZINC001015915428 765543146 /nfs/dbraw/zinc/54/31/46/765543146.db2.gz QXFFBUNDGUOBOR-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2nnn(C)n2)C1 ZINC001053093492 765568631 /nfs/dbraw/zinc/56/86/31/765568631.db2.gz NPVZHUKKMFXOGF-LSDHHAIUSA-N 1 1 330.436 0.940 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001106093516 765598522 /nfs/dbraw/zinc/59/85/22/765598522.db2.gz YICHVRPJCBWFAC-DZKIICNBSA-N 1 1 345.447 0.881 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)cc1C#N ZINC001015968064 765635366 /nfs/dbraw/zinc/63/53/66/765635366.db2.gz PLFBEPXIGMFAAN-CQSZACIVSA-N 1 1 340.387 0.618 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)cc1C#N ZINC001015968064 765635370 /nfs/dbraw/zinc/63/53/70/765635370.db2.gz PLFBEPXIGMFAAN-CQSZACIVSA-N 1 1 340.387 0.618 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC001015969501 765640330 /nfs/dbraw/zinc/64/03/30/765640330.db2.gz UZERUGKTVFUFJY-STQMWFEESA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001015969501 765640334 /nfs/dbraw/zinc/64/03/34/765640334.db2.gz UZERUGKTVFUFJY-STQMWFEESA-N 1 1 332.404 0.714 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001016021279 765726710 /nfs/dbraw/zinc/72/67/10/765726710.db2.gz XVGYUECNBKKABK-HUUCEWRRSA-N 1 1 329.400 0.934 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)ccc1F ZINC001016026717 765729802 /nfs/dbraw/zinc/72/98/02/765729802.db2.gz IGGXRFHERPPPNP-HIFRSBDPSA-N 1 1 330.363 0.666 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)ccc1F ZINC001016026717 765729807 /nfs/dbraw/zinc/72/98/07/765729807.db2.gz IGGXRFHERPPPNP-HIFRSBDPSA-N 1 1 330.363 0.666 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)nc1 ZINC001016026471 765729912 /nfs/dbraw/zinc/72/99/12/765729912.db2.gz HOHWRPYLLOBBBM-LSDHHAIUSA-N 1 1 336.399 0.646 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(CC=C)C3=O)C2)cn1 ZINC001016031539 765734672 /nfs/dbraw/zinc/73/46/72/765734672.db2.gz RVYIIBXLPRMBQM-DLBZAZTESA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(CC=C)C3=O)C2)cn1 ZINC001016031539 765734678 /nfs/dbraw/zinc/73/46/78/765734678.db2.gz RVYIIBXLPRMBQM-DLBZAZTESA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001016114702 765800120 /nfs/dbraw/zinc/80/01/20/765800120.db2.gz TWRUMUDHZOPQIE-KRWDZBQOSA-N 1 1 340.427 0.426 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016114741 765800468 /nfs/dbraw/zinc/80/04/68/765800468.db2.gz UFWXRIXXNHEPIG-KRWDZBQOSA-N 1 1 325.412 0.633 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016114741 765800475 /nfs/dbraw/zinc/80/04/75/765800475.db2.gz UFWXRIXXNHEPIG-KRWDZBQOSA-N 1 1 325.412 0.633 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)c3OC)C2)C1=O ZINC001016120548 765808427 /nfs/dbraw/zinc/80/84/27/765808427.db2.gz RGXXFBZBEYJPRZ-JSGCOSHPSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)c3OC)C2)C1=O ZINC001016120548 765808434 /nfs/dbraw/zinc/80/84/34/765808434.db2.gz RGXXFBZBEYJPRZ-JSGCOSHPSA-N 1 1 347.419 0.020 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC000992185058 765812709 /nfs/dbraw/zinc/81/27/09/765812709.db2.gz YGHPDDMPGRZZAO-DRMAHVMPSA-N 1 1 347.459 0.923 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001106108031 765841385 /nfs/dbraw/zinc/84/13/85/765841385.db2.gz FUSZVEXCTBHBLS-OCCSQVGLSA-N 1 1 332.408 0.030 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2nonc2C)C1 ZINC000992207427 765899726 /nfs/dbraw/zinc/89/97/26/765899726.db2.gz JLQIZAFKRVAFRK-RUXDESIVSA-N 1 1 345.403 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2nonc2C)C1 ZINC000992207427 765899730 /nfs/dbraw/zinc/89/97/30/765899730.db2.gz JLQIZAFKRVAFRK-RUXDESIVSA-N 1 1 345.403 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cncs2)C1 ZINC000992208586 765902921 /nfs/dbraw/zinc/90/29/21/765902921.db2.gz QWEQJNYZOMVZIY-RUXDESIVSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cncs2)C1 ZINC000992208586 765902926 /nfs/dbraw/zinc/90/29/26/765902926.db2.gz QWEQJNYZOMVZIY-RUXDESIVSA-N 1 1 346.456 0.865 20 30 ECEDMO N#CCN1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CCO2 ZINC001053287012 765908885 /nfs/dbraw/zinc/90/88/85/765908885.db2.gz ILAHMMAYKFJCRK-MRXNPFEDSA-N 1 1 348.447 0.067 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC001053303957 765939428 /nfs/dbraw/zinc/93/94/28/765939428.db2.gz BQIPTJXVWMRYQS-ZIAGYGMSSA-N 1 1 343.855 0.371 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC001053303957 765939434 /nfs/dbraw/zinc/93/94/34/765939434.db2.gz BQIPTJXVWMRYQS-ZIAGYGMSSA-N 1 1 343.855 0.371 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc3c(C)nn(C)c3s2)[C@@H](O)C1 ZINC001083682465 765981827 /nfs/dbraw/zinc/98/18/27/765981827.db2.gz ZQDIKOWGMXAFSH-OLZOCXBDSA-N 1 1 332.429 0.741 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3c(C)nn(C)c3s2)[C@@H](O)C1 ZINC001083682465 765981829 /nfs/dbraw/zinc/98/18/29/765981829.db2.gz ZQDIKOWGMXAFSH-OLZOCXBDSA-N 1 1 332.429 0.741 20 30 ECEDMO C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)CCO2 ZINC001053347252 766009615 /nfs/dbraw/zinc/00/96/15/766009615.db2.gz CLLAOOAFMCBVIE-UPTPFMHGSA-N 1 1 347.459 0.339 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(C)nc3)C2)C1=O ZINC001016272634 766015928 /nfs/dbraw/zinc/01/59/28/766015928.db2.gz OHDQUOVDPBIWKH-IAGOWNOFSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3ccc(C)nc3)C2)C1=O ZINC001016272634 766015934 /nfs/dbraw/zinc/01/59/34/766015934.db2.gz OHDQUOVDPBIWKH-IAGOWNOFSA-N 1 1 342.443 0.910 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCn1cncn1)CC2 ZINC000992242769 766028062 /nfs/dbraw/zinc/02/80/62/766028062.db2.gz STAQLKLDXKUKDX-MUQADHOPSA-N 1 1 345.447 0.982 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001017746961 768344424 /nfs/dbraw/zinc/34/44/24/768344424.db2.gz NOVHSMNZIGEHQO-ZACQAIPSSA-N 1 1 347.459 0.947 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCS(=O)(=O)C3)CCC[C@H]12 ZINC000992258806 766079908 /nfs/dbraw/zinc/07/99/08/766079908.db2.gz BNBQYRXUYZHEJN-HLLBOEOZSA-N 1 1 338.473 0.948 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2ccon2)C1 ZINC001016339453 766148445 /nfs/dbraw/zinc/14/84/45/766148445.db2.gz PWWIXSZUWGAYKG-GPANFISMSA-N 1 1 344.415 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2ccon2)C1 ZINC001016339453 766148446 /nfs/dbraw/zinc/14/84/46/766148446.db2.gz PWWIXSZUWGAYKG-GPANFISMSA-N 1 1 344.415 0.420 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)[C@@H](O)C1 ZINC001083685513 766156415 /nfs/dbraw/zinc/15/64/15/766156415.db2.gz ZNGRTXJUHDKRTI-CABCVRRESA-N 1 1 325.372 0.066 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@H]2C[N@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001089235752 766169989 /nfs/dbraw/zinc/16/99/89/766169989.db2.gz BZUKWSZZTDSETB-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001016357146 766180553 /nfs/dbraw/zinc/18/05/53/766180553.db2.gz OKDCTKFRQCIZIU-RDJZCZTQSA-N 1 1 343.427 0.873 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001016357146 766180556 /nfs/dbraw/zinc/18/05/56/766180556.db2.gz OKDCTKFRQCIZIU-RDJZCZTQSA-N 1 1 343.427 0.873 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(CC)n1 ZINC001106125051 766248196 /nfs/dbraw/zinc/24/81/96/766248196.db2.gz KBLCZAZIFLRADG-MJBXVCDLSA-N 1 1 334.420 0.828 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)cc1 ZINC001016410148 766248444 /nfs/dbraw/zinc/24/84/44/766248444.db2.gz GRVLIXSVERVAGM-HOTGVXAUSA-N 1 1 341.415 0.792 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C[C@@H](C)O)CC3)nn1 ZINC000992321646 766263987 /nfs/dbraw/zinc/26/39/87/766263987.db2.gz NXTAUYYZYHDPTE-KMFMINBZSA-N 1 1 333.436 0.962 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001045769079 766346602 /nfs/dbraw/zinc/34/66/02/766346602.db2.gz ZQBPCPSSEAXVLC-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001045772459 766350318 /nfs/dbraw/zinc/35/03/18/766350318.db2.gz FUTSDSPEBFWTAU-MRXNPFEDSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001045782306 766363635 /nfs/dbraw/zinc/36/36/35/766363635.db2.gz DVKDTTUURYWJQA-WMLDXEAASA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(C)nn3)C2)C1=O ZINC001031660018 766376081 /nfs/dbraw/zinc/37/60/81/766376081.db2.gz AJMCYBPCQLZVSI-OAHLLOKOSA-N 1 1 329.404 0.234 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)NC)c1 ZINC001045845168 766426916 /nfs/dbraw/zinc/42/69/16/766426916.db2.gz XTZPHIWFHWVKGJ-XKQJLSEDSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000992378568 766431843 /nfs/dbraw/zinc/43/18/43/766431843.db2.gz WUPQNPWKMVVCTK-PREGVCBESA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1=O ZINC001031676691 766438077 /nfs/dbraw/zinc/43/80/77/766438077.db2.gz HQNHFWRKDJBKCM-ULQDDVLXSA-N 1 1 349.475 0.882 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)O2 ZINC001053618204 766443942 /nfs/dbraw/zinc/44/39/42/766443942.db2.gz RXXDVJKBHKUSPN-BZUAXINKSA-N 1 1 335.448 0.078 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)O2 ZINC001053618204 766443947 /nfs/dbraw/zinc/44/39/47/766443947.db2.gz RXXDVJKBHKUSPN-BZUAXINKSA-N 1 1 335.448 0.078 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3nccn3C1)O2 ZINC001053618642 766446573 /nfs/dbraw/zinc/44/65/73/766446573.db2.gz BVKLSJJKVRYVJT-JKSUJKDBSA-N 1 1 342.443 0.818 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCCO[C@H]3C=C)C2)C1=O ZINC001031680824 766448977 /nfs/dbraw/zinc/44/89/77/766448977.db2.gz RXGOAGDGHBTENJ-ZACQAIPSSA-N 1 1 347.459 0.803 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn(C)c(=O)c1)O2 ZINC001053619374 766449416 /nfs/dbraw/zinc/44/94/16/766449416.db2.gz QSRDOXPUPLPFEM-HNNXBMFYSA-N 1 1 329.400 0.372 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 ZINC001053621378 766458172 /nfs/dbraw/zinc/45/81/72/766458172.db2.gz DZXLRMXTECSSBE-HOTGVXAUSA-N 1 1 334.464 0.980 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)o1)O2 ZINC001053626215 766467579 /nfs/dbraw/zinc/46/75/79/766467579.db2.gz PRRKBCAJUBDUFH-LBPRGKRZSA-N 1 1 331.372 0.365 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1C(C)C)O2 ZINC001053649492 766511035 /nfs/dbraw/zinc/51/10/35/766511035.db2.gz NNVSERRLZSWMNK-CVEARBPZSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nnn(CC)c1CC)O2 ZINC001053658119 766527337 /nfs/dbraw/zinc/52/73/37/766527337.db2.gz QUOCTFCJRMZCFA-AWEZNQCLSA-N 1 1 345.447 0.847 20 30 ECEDMO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)O2 ZINC001053658312 766527885 /nfs/dbraw/zinc/52/78/85/766527885.db2.gz WRPRWSGEMSXOBC-WBVHZDCISA-N 1 1 342.443 0.737 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001045966973 766538113 /nfs/dbraw/zinc/53/81/13/766538113.db2.gz KJHCEYSMUHYRKI-HDMKZQKVSA-N 1 1 333.432 0.357 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001045971536 766539810 /nfs/dbraw/zinc/53/98/10/766539810.db2.gz PPOCZEHTPMLDEM-GUYCJALGSA-N 1 1 334.420 0.475 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@H]12 ZINC000992423578 766541083 /nfs/dbraw/zinc/54/10/83/766541083.db2.gz GFGMKJZPNWONLL-GUYCJALGSA-N 1 1 334.420 0.618 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001045973994 766543098 /nfs/dbraw/zinc/54/30/98/766543098.db2.gz UCBQPJANTNGLDC-GOSISDBHSA-N 1 1 331.416 0.377 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)O2 ZINC001053679461 766566979 /nfs/dbraw/zinc/56/69/79/766566979.db2.gz DTFITASROFBWNM-CYBMUJFWSA-N 1 1 330.388 0.100 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H](O)CNc2nc(C)[nH+]c(C)c2C)nn1 ZINC001106131897 766593809 /nfs/dbraw/zinc/59/38/09/766593809.db2.gz MLEMICUKRLMHSP-CYBMUJFWSA-N 1 1 345.407 0.382 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CCn3cncn3)CC2)C1 ZINC001046003247 766608055 /nfs/dbraw/zinc/60/80/55/766608055.db2.gz ZXBYQMKEUPCDJT-INIZCTEOSA-N 1 1 332.452 0.463 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H](O)CNc2cc(CC)[nH+]c(C)n2)nn1 ZINC001106132270 766609268 /nfs/dbraw/zinc/60/92/68/766609268.db2.gz XIOOAZXVVPXZPP-ZDUSSCGKSA-N 1 1 345.407 0.328 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)O2 ZINC001053700525 766619557 /nfs/dbraw/zinc/61/95/57/766619557.db2.gz WUQSYHONWGKNBD-HOTGVXAUSA-N 1 1 335.448 0.080 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700525 766619563 /nfs/dbraw/zinc/61/95/63/766619563.db2.gz WUQSYHONWGKNBD-HOTGVXAUSA-N 1 1 335.448 0.080 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C(C)=O)CCO3)CCC[C@H]12 ZINC000992458764 766624109 /nfs/dbraw/zinc/62/41/09/766624109.db2.gz USHNVCMEKVVDMS-XYJFISCASA-N 1 1 333.432 0.370 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC000992463078 766640144 /nfs/dbraw/zinc/64/01/44/766640144.db2.gz OTLCBPWPJBCNML-LPHOPBHVSA-N 1 1 325.412 0.809 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC000992463078 766640152 /nfs/dbraw/zinc/64/01/52/766640152.db2.gz OTLCBPWPJBCNML-LPHOPBHVSA-N 1 1 325.412 0.809 20 30 ECEDMO Cc1ncc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)cn1 ZINC001046012586 766640334 /nfs/dbraw/zinc/64/03/34/766640334.db2.gz PUVAZHWTIPDRIP-YOEHRIQHSA-N 1 1 342.447 0.663 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@H]12 ZINC000992466956 766644665 /nfs/dbraw/zinc/64/46/65/766644665.db2.gz SSJLMGJDIGQRBE-GUYCJALGSA-N 1 1 334.420 0.570 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CC)c3)CC2)C1 ZINC001046014167 766645208 /nfs/dbraw/zinc/64/52/08/766645208.db2.gz QQBZUUPAKJRWFZ-KRWDZBQOSA-N 1 1 329.448 0.758 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)[nH]1 ZINC001046020678 766663212 /nfs/dbraw/zinc/66/32/12/766663212.db2.gz WNGZKWUTGBTNMX-OAHLLOKOSA-N 1 1 331.420 0.101 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC001046021455 766666081 /nfs/dbraw/zinc/66/60/81/766666081.db2.gz HMASOOHYYWATRG-QGZVFWFLSA-N 1 1 336.480 0.113 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnn3CC)CC2)C1 ZINC001046021984 766667297 /nfs/dbraw/zinc/66/72/97/766667297.db2.gz IULYTPJEFIRFJC-INIZCTEOSA-N 1 1 329.448 0.758 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3N)CC2)C1 ZINC001046022480 766668570 /nfs/dbraw/zinc/66/85/70/766668570.db2.gz SHTRRFQKFLKBIL-AWEZNQCLSA-N 1 1 332.452 0.411 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC3OCCCO3)CC2)C1 ZINC001046024273 766674666 /nfs/dbraw/zinc/67/46/66/766674666.db2.gz ISVQTDUHTHYNOH-MRXNPFEDSA-N 1 1 335.448 0.381 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1OC ZINC001212262333 766684555 /nfs/dbraw/zinc/68/45/55/766684555.db2.gz LOLJOXMKFIBYHR-IAGOWNOFSA-N 1 1 331.416 0.745 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1OC ZINC001212262333 766684561 /nfs/dbraw/zinc/68/45/61/766684561.db2.gz LOLJOXMKFIBYHR-IAGOWNOFSA-N 1 1 331.416 0.745 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 ZINC001046027245 766685510 /nfs/dbraw/zinc/68/55/10/766685510.db2.gz LGXKVPQBYRQKAM-DLBZAZTESA-N 1 1 337.464 0.587 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(OC)ns2)C1 ZINC000994750753 766687556 /nfs/dbraw/zinc/68/75/56/766687556.db2.gz CHZVONNNIMNCHU-LBPRGKRZSA-N 1 1 348.428 0.190 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(OC)ns2)C1 ZINC000994750753 766687563 /nfs/dbraw/zinc/68/75/63/766687563.db2.gz CHZVONNNIMNCHU-LBPRGKRZSA-N 1 1 348.428 0.190 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC001046027794 766687775 /nfs/dbraw/zinc/68/77/75/766687775.db2.gz RTEDNEPSJVOBHR-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(N(C)C)cn3)CC2)C1 ZINC001046029846 766695876 /nfs/dbraw/zinc/69/58/76/766695876.db2.gz CVCZLLVXNMGNRX-OAHLLOKOSA-N 1 1 344.463 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2coc(OCC)n2)C1 ZINC000994751116 766696202 /nfs/dbraw/zinc/69/62/02/766696202.db2.gz NANFQUQLSPGWRP-AWEZNQCLSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2coc(OCC)n2)C1 ZINC000994751116 766696207 /nfs/dbraw/zinc/69/62/07/766696207.db2.gz NANFQUQLSPGWRP-AWEZNQCLSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC001046030458 766697870 /nfs/dbraw/zinc/69/78/70/766697870.db2.gz RPJSKGCHIGRMAN-HNNXBMFYSA-N 1 1 327.432 0.295 20 30 ECEDMO CCN(c1ccc(C#N)nc1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089624456 766701698 /nfs/dbraw/zinc/70/16/98/766701698.db2.gz BVMYYKJVYBZRFK-CZUORRHYSA-N 1 1 331.420 0.615 20 30 ECEDMO CCN(c1ccc(C#N)nc1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089624456 766701711 /nfs/dbraw/zinc/70/17/11/766701711.db2.gz BVMYYKJVYBZRFK-CZUORRHYSA-N 1 1 331.420 0.615 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1 ZINC001046032592 766706265 /nfs/dbraw/zinc/70/62/65/766706265.db2.gz LLAADPDDVWPWJZ-ZOBUZTSGSA-N 1 1 339.867 0.994 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1 ZINC001046032592 766706269 /nfs/dbraw/zinc/70/62/69/766706269.db2.gz LLAADPDDVWPWJZ-ZOBUZTSGSA-N 1 1 339.867 0.994 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ocnc2C2CC2)C1 ZINC000994754585 766706562 /nfs/dbraw/zinc/70/65/62/766706562.db2.gz MSDKMVNMVLGTTP-AWEZNQCLSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ocnc2C2CC2)C1 ZINC000994754585 766706565 /nfs/dbraw/zinc/70/65/65/766706565.db2.gz MSDKMVNMVLGTTP-AWEZNQCLSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cncs2)C1 ZINC000994756181 766723552 /nfs/dbraw/zinc/72/35/52/766723552.db2.gz UWNAPUFVJSYJAS-AWEZNQCLSA-N 1 1 332.429 0.110 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cncs2)C1 ZINC000994756181 766723561 /nfs/dbraw/zinc/72/35/61/766723561.db2.gz UWNAPUFVJSYJAS-AWEZNQCLSA-N 1 1 332.429 0.110 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC001046036180 766725909 /nfs/dbraw/zinc/72/59/09/766725909.db2.gz CBLBNPFAIKWCCH-APWZRJJASA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001031715709 766726861 /nfs/dbraw/zinc/72/68/61/766726861.db2.gz YNQXZBMMJHCSQY-DLBZAZTESA-N 1 1 348.491 0.696 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)COc3cc(C)on3)CC2)C1 ZINC001046036679 766728540 /nfs/dbraw/zinc/72/85/40/766728540.db2.gz DXXKSOBWEUYTQK-INIZCTEOSA-N 1 1 346.431 0.604 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046037092 766730869 /nfs/dbraw/zinc/73/08/69/766730869.db2.gz LVMCWAPLGPKJML-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC001046037097 766730930 /nfs/dbraw/zinc/73/09/30/766730930.db2.gz LXFSVIMPPHNGEC-OAHLLOKOSA-N 1 1 329.404 0.038 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)ncn3C)CC2)C1 ZINC001046037048 766731386 /nfs/dbraw/zinc/73/13/86/766731386.db2.gz KAFZFENFDPPIQJ-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CC4)[C@H]3C2)c1 ZINC001041998998 782575772 /nfs/dbraw/zinc/57/57/72/782575772.db2.gz CYOMLLRCHJJAPI-CJNGLKHVSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CC4)[C@H]3C2)c1 ZINC001041998998 782575781 /nfs/dbraw/zinc/57/57/81/782575781.db2.gz CYOMLLRCHJJAPI-CJNGLKHVSA-N 1 1 341.415 0.701 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4n3CCOC4)CC2)C1 ZINC001046037603 766735450 /nfs/dbraw/zinc/73/54/50/766735450.db2.gz UKSIJWCLHDVSOJ-OAHLLOKOSA-N 1 1 345.447 0.431 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046039058 766740525 /nfs/dbraw/zinc/74/05/25/766740525.db2.gz NDONXSNDRXZJLS-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046039073 766740582 /nfs/dbraw/zinc/74/05/82/766740582.db2.gz RDFBYOYCLTYUJQ-LPHOPBHVSA-N 1 1 346.475 0.145 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC001046038859 766740894 /nfs/dbraw/zinc/74/08/94/766740894.db2.gz LDNFZGQNQWGGPA-QGZVFWFLSA-N 1 1 344.459 0.794 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn4c(n3)COCC4)CC2)C1 ZINC001046038925 766741059 /nfs/dbraw/zinc/74/10/59/766741059.db2.gz PYEJGHZGMDFNNR-OAHLLOKOSA-N 1 1 345.447 0.431 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1OC ZINC001212264724 766748414 /nfs/dbraw/zinc/74/84/14/766748414.db2.gz PSQGJZVLTWWPSZ-BPLDGKMQSA-N 1 1 337.445 0.539 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1OC ZINC001212264724 766748418 /nfs/dbraw/zinc/74/84/18/766748418.db2.gz PSQGJZVLTWWPSZ-BPLDGKMQSA-N 1 1 337.445 0.539 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cncn2C)C1 ZINC001016699798 766751945 /nfs/dbraw/zinc/75/19/45/766751945.db2.gz HKPFRISSNHPJOP-NRXISQOPSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cncn2C)C1 ZINC001016699798 766751950 /nfs/dbraw/zinc/75/19/50/766751950.db2.gz HKPFRISSNHPJOP-NRXISQOPSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)C1 ZINC001046042528 766756494 /nfs/dbraw/zinc/75/64/94/766756494.db2.gz IXEPPWVNQMXBNQ-KRWDZBQOSA-N 1 1 341.459 0.613 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)n(C)n3)CC2)C1 ZINC001046043648 766762719 /nfs/dbraw/zinc/76/27/19/766762719.db2.gz CBUFTRDKUPWHHH-OAHLLOKOSA-N 1 1 345.447 0.284 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@@H]12 ZINC000992522117 766763118 /nfs/dbraw/zinc/76/31/18/766763118.db2.gz DIPNBZXSAIBIBS-PBHICJAKSA-N 1 1 346.435 0.456 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccn(C(C)C)n3)CC2)C1 ZINC001046046179 766773903 /nfs/dbraw/zinc/77/39/03/766773903.db2.gz XXLSFWDEXIUUFL-SFHVURJKSA-N 1 1 343.475 0.858 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001046047550 766779362 /nfs/dbraw/zinc/77/93/62/766779362.db2.gz SYTREVSNBCUSIH-IRXDYDNUSA-N 1 1 346.475 0.145 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C(N)=O)cn3)CCC[C@@H]12 ZINC000992525594 766779807 /nfs/dbraw/zinc/77/98/07/766779807.db2.gz WNPZADZOJRYLMB-QAPCUYQASA-N 1 1 326.400 0.931 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001046049914 766784884 /nfs/dbraw/zinc/78/48/84/766784884.db2.gz ZZVDWVMVLFUOHC-JKSUJKDBSA-N 1 1 348.491 0.648 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046055607 766805427 /nfs/dbraw/zinc/80/54/27/766805427.db2.gz FXTJGRCSVKWWPC-APWZRJJASA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC001046059844 766823920 /nfs/dbraw/zinc/82/39/20/766823920.db2.gz QDYCNAZSHCFKMC-HNNXBMFYSA-N 1 1 346.431 0.787 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C(N)=O)n3)CCC[C@@H]12 ZINC000992545673 766832228 /nfs/dbraw/zinc/83/22/28/766832228.db2.gz HRJUERVODNPWFA-CRAIPNDOSA-N 1 1 326.400 0.931 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN([C@H]3CC[N@H+](CCOC)C3)CC2)c1 ZINC001046062923 766834948 /nfs/dbraw/zinc/83/49/48/766834948.db2.gz WSGZCCGLFKYEHV-SFHVURJKSA-N 1 1 342.443 0.541 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3(CF)CCOCC3)CC2)C1 ZINC001046064376 766844480 /nfs/dbraw/zinc/84/44/80/766844480.db2.gz MBEJYBHHQOQSRY-INIZCTEOSA-N 1 1 337.439 0.604 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@H]3CC[N@@H+](CC4CC4)C3)CC2)nn1 ZINC001046068623 766863867 /nfs/dbraw/zinc/86/38/67/766863867.db2.gz PGGGXOQBMQVARQ-INIZCTEOSA-N 1 1 344.463 0.706 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CCC)c3)CC2)C1 ZINC001046070133 766871794 /nfs/dbraw/zinc/87/17/94/766871794.db2.gz LTMCWWRQNJBXBO-QGZVFWFLSA-N 1 1 329.448 0.758 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cccc(C)c1=O)CO2 ZINC001053799797 766878478 /nfs/dbraw/zinc/87/84/78/766878478.db2.gz BVYPMYQMMPNDCE-OAHLLOKOSA-N 1 1 331.416 0.692 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)n[nH]c3C)CC2)C1 ZINC001046072276 766880646 /nfs/dbraw/zinc/88/06/46/766880646.db2.gz VWOPCFJVXWPWCQ-MRXNPFEDSA-N 1 1 329.448 0.882 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1C(=O)CC(C)(C)C1=O)CO2 ZINC001053801494 766885206 /nfs/dbraw/zinc/88/52/06/766885206.db2.gz OUFBKJZFCXJHJG-CYBMUJFWSA-N 1 1 349.431 0.307 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC001046074727 766891359 /nfs/dbraw/zinc/89/13/59/766891359.db2.gz FRYBQODZNAPSIK-QGZVFWFLSA-N 1 1 327.432 0.261 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CCC)nn3)CC2)C1 ZINC001046074627 766891483 /nfs/dbraw/zinc/89/14/83/766891483.db2.gz CKEBELGHUAMXCW-MRXNPFEDSA-N 1 1 344.463 0.544 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H]3CC)CC2)C1 ZINC001046074809 766891725 /nfs/dbraw/zinc/89/17/25/766891725.db2.gz HLBDGLGIYLMOJI-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn4ccccc4n3)CC2)C1 ZINC001046080788 766917671 /nfs/dbraw/zinc/91/76/71/766917671.db2.gz KVGYKHUNSAEQMT-MRXNPFEDSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCn3cc(C)cn3)CC2)C1 ZINC001046084453 766924907 /nfs/dbraw/zinc/92/49/07/766924907.db2.gz CTOPPHNACNHJIM-GOSISDBHSA-N 1 1 343.475 0.823 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnccn3)C2)C1=O ZINC001046113332 766941000 /nfs/dbraw/zinc/94/10/00/766941000.db2.gz FKKIDRYUXFPZMI-PBHICJAKSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cnccn3)C2)C1=O ZINC001046113332 766941003 /nfs/dbraw/zinc/94/10/03/766941003.db2.gz FKKIDRYUXFPZMI-PBHICJAKSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)nn1 ZINC001098779605 766949380 /nfs/dbraw/zinc/94/93/80/766949380.db2.gz ILADVRMXDNFMPP-ZBFHGGJFSA-N 1 1 346.435 0.196 20 30 ECEDMO N#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CO2 ZINC001053827398 766955968 /nfs/dbraw/zinc/95/59/68/766955968.db2.gz YJTYOZQNXJBTSF-HOCLYGCPSA-N 1 1 348.447 0.113 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001016810304 766967148 /nfs/dbraw/zinc/96/71/48/766967148.db2.gz XHGJBROWDHWCOB-OOHWJJMZSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 ZINC001078266968 782592570 /nfs/dbraw/zinc/59/25/70/782592570.db2.gz MUJMASMGRQHJLQ-FVQBIDKESA-N 1 1 329.400 0.850 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2cnccn2)C1 ZINC001031740586 766985361 /nfs/dbraw/zinc/98/53/61/766985361.db2.gz FQCMTVCIFQDZJO-YOEHRIQHSA-N 1 1 327.432 0.683 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2cnccn2)C1 ZINC001031740586 766985366 /nfs/dbraw/zinc/98/53/66/766985366.db2.gz FQCMTVCIFQDZJO-YOEHRIQHSA-N 1 1 327.432 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2noc(C)n2)C1 ZINC001031741211 766987815 /nfs/dbraw/zinc/98/78/15/766987815.db2.gz SGLIEFATJVEWLM-WFASDCNBSA-N 1 1 331.420 0.585 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2noc(C)n2)C1 ZINC001031741211 766987821 /nfs/dbraw/zinc/98/78/21/766987821.db2.gz SGLIEFATJVEWLM-WFASDCNBSA-N 1 1 331.420 0.585 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cncnc3C)C2)C1=O ZINC001046168291 767009040 /nfs/dbraw/zinc/00/90/40/767009040.db2.gz JYZBEMWIRUIAAJ-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cncnc3C)C2)C1=O ZINC001046168291 767009051 /nfs/dbraw/zinc/00/90/51/767009051.db2.gz JYZBEMWIRUIAAJ-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(CN(C)C)on1)CO2 ZINC001053853474 767027095 /nfs/dbraw/zinc/02/70/95/767027095.db2.gz GQVISVMUUXUCCA-CYBMUJFWSA-N 1 1 334.420 0.885 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000994857810 767060560 /nfs/dbraw/zinc/06/05/60/767060560.db2.gz DFGAIXXMMSINLE-ZYHUDNBSSA-N 1 1 328.380 0.098 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001046220618 767087490 /nfs/dbraw/zinc/08/74/90/767087490.db2.gz VCMXOBNWZSUNPZ-QUCCMNQESA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001046220618 767087497 /nfs/dbraw/zinc/08/74/97/767087497.db2.gz VCMXOBNWZSUNPZ-QUCCMNQESA-N 1 1 341.455 0.949 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3nccn3c1)CO2 ZINC001053870879 767088328 /nfs/dbraw/zinc/08/83/28/767088328.db2.gz RZOZGQMKZLKYJZ-CQSZACIVSA-N 1 1 327.388 0.879 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CCn4cncn4)[C@@H]3C2)c[nH]1 ZINC001042018106 782607654 /nfs/dbraw/zinc/60/76/54/782607654.db2.gz GCWBBYRSWKHNRO-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046287179 767128396 /nfs/dbraw/zinc/12/83/96/767128396.db2.gz INLWUODVIXTIBF-RHSMWYFYSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046287179 767128397 /nfs/dbraw/zinc/12/83/97/767128397.db2.gz INLWUODVIXTIBF-RHSMWYFYSA-N 1 1 346.362 0.886 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnnn3CC)C2)C1=O ZINC001046297442 767134200 /nfs/dbraw/zinc/13/42/00/767134200.db2.gz BVSYSAPZEHJFHX-SUMWQHHRSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnnn3CC)C2)C1=O ZINC001046297442 767134201 /nfs/dbraw/zinc/13/42/01/767134201.db2.gz BVSYSAPZEHJFHX-SUMWQHHRSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001089735945 767137215 /nfs/dbraw/zinc/13/72/15/767137215.db2.gz RKPVAOWHRCEQPL-QWHCGFSZSA-N 1 1 329.466 0.471 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046321646 767147337 /nfs/dbraw/zinc/14/73/37/767147337.db2.gz ROWBUQVLAJLPDF-CXAGYDPISA-N 1 1 331.420 0.919 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001089765340 767148038 /nfs/dbraw/zinc/14/80/38/767148038.db2.gz DADCNYSMVJZPAU-YXWQFLTLSA-N 1 1 326.400 0.988 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC001089782464 767168459 /nfs/dbraw/zinc/16/84/59/767168459.db2.gz XWFVSSBCEVLZNW-XGUBFFRZSA-N 1 1 326.462 0.776 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(Cc3ccc(C#N)s3)C2)O1 ZINC001031768432 767173293 /nfs/dbraw/zinc/17/32/93/767173293.db2.gz DLEIGXGOFFGKNF-MLGOLLRUSA-N 1 1 348.472 0.887 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(Cc3ccc(C#N)s3)C2)O1 ZINC001031768432 767173299 /nfs/dbraw/zinc/17/32/99/767173299.db2.gz DLEIGXGOFFGKNF-MLGOLLRUSA-N 1 1 348.472 0.887 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)NC1=O ZINC001038590726 767175209 /nfs/dbraw/zinc/17/52/09/767175209.db2.gz BRGFLPFBAWFLHA-GJZGRUSLSA-N 1 1 327.388 0.272 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)NC1=O ZINC001038590726 767175211 /nfs/dbraw/zinc/17/52/11/767175211.db2.gz BRGFLPFBAWFLHA-GJZGRUSLSA-N 1 1 327.388 0.272 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2nnn(C)c2C)C1 ZINC001089790506 767184250 /nfs/dbraw/zinc/18/42/50/767184250.db2.gz SDUGMACUXIRUIG-VGWMRTNUSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nccnc1N ZINC001089789444 767184607 /nfs/dbraw/zinc/18/46/07/767184607.db2.gz XCLCKAICNSRFST-XGUBFFRZSA-N 1 1 325.416 0.865 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001046408073 767202345 /nfs/dbraw/zinc/20/23/45/767202345.db2.gz RTYYPOOLSQBWTI-CXAGYDPISA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001046418020 767207102 /nfs/dbraw/zinc/20/71/02/767207102.db2.gz MRHQJASPFOHIKK-OAHLLOKOSA-N 1 1 326.462 0.968 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CN=NC1=O ZINC001089795394 767220073 /nfs/dbraw/zinc/22/00/73/767220073.db2.gz NGJCGZJUQDXFPU-YJNKXOJESA-N 1 1 329.404 0.176 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001046521810 767277097 /nfs/dbraw/zinc/27/70/97/767277097.db2.gz LCKTUCIRSFPGNP-HNNXBMFYSA-N 1 1 330.396 0.464 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCOCC2=O)C1 ZINC001089820164 767312129 /nfs/dbraw/zinc/31/21/29/767312129.db2.gz LJINRPKUJOEBSP-QAETUUGQSA-N 1 1 345.443 0.037 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046575252 767318933 /nfs/dbraw/zinc/31/89/33/767318933.db2.gz BZHGKUIENQEGLO-YIYPIFLZSA-N 1 1 328.420 0.275 20 30 ECEDMO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001016924908 767319746 /nfs/dbraw/zinc/31/97/46/767319746.db2.gz DYLUDSRRNMKCKE-XJKSGUPXSA-N 1 1 327.432 0.904 20 30 ECEDMO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001016924908 767319754 /nfs/dbraw/zinc/31/97/54/767319754.db2.gz DYLUDSRRNMKCKE-XJKSGUPXSA-N 1 1 327.432 0.904 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2C#N)C1 ZINC001046577814 767324045 /nfs/dbraw/zinc/32/40/45/767324045.db2.gz VHFKTMKLQSCKOI-MQYQWHSLSA-N 1 1 328.420 0.853 20 30 ECEDMO C#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908278 767329697 /nfs/dbraw/zinc/32/96/97/767329697.db2.gz ORTLWHQZXHEQEC-CABCVRRESA-N 1 1 328.416 0.347 20 30 ECEDMO C=CCN1CC[C@H](N2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001046596173 767350276 /nfs/dbraw/zinc/35/02/76/767350276.db2.gz VSEQDXUUSDXBFA-LPHOPBHVSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@@H](N2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001046596203 767350420 /nfs/dbraw/zinc/35/04/20/767350420.db2.gz VSEQDXUUSDXBFA-VQIMIIECSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001046601005 767354063 /nfs/dbraw/zinc/35/40/63/767354063.db2.gz XYANGBCOAOTMFP-MLGOLLRUSA-N 1 1 335.383 0.530 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001046601005 767354068 /nfs/dbraw/zinc/35/40/68/767354068.db2.gz XYANGBCOAOTMFP-MLGOLLRUSA-N 1 1 335.383 0.530 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001046604294 767355241 /nfs/dbraw/zinc/35/52/41/767355241.db2.gz IKVKTQXEPWQHSP-CRAIPNDOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001046604294 767355246 /nfs/dbraw/zinc/35/52/46/767355246.db2.gz IKVKTQXEPWQHSP-CRAIPNDOSA-N 1 1 326.400 0.536 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@]34CCC[C@H]3OCC4)C2)C1=O ZINC001031843225 767365181 /nfs/dbraw/zinc/36/51/81/767365181.db2.gz QAGFMVIEZDUQSA-FCEWJHQRSA-N 1 1 347.459 0.781 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106147555 767371882 /nfs/dbraw/zinc/37/18/82/767371882.db2.gz QUAQVYSMPNAZTM-ZFWWWQNUSA-N 1 1 349.410 0.856 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)no1 ZINC000995006352 767379410 /nfs/dbraw/zinc/37/94/10/767379410.db2.gz RQHSCZSXPSGRBK-UHFFFAOYSA-N 1 1 342.359 0.190 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC001089830160 767384060 /nfs/dbraw/zinc/38/40/60/767384060.db2.gz AUKWYFMUQMVTOR-JONQDZQNSA-N 1 1 332.448 0.757 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1C#N ZINC001106153029 767385933 /nfs/dbraw/zinc/38/59/33/767385933.db2.gz NVAQARAGGWYAPJ-BPLDGKMQSA-N 1 1 331.420 0.491 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(C)n1 ZINC001106153822 767403102 /nfs/dbraw/zinc/40/31/02/767403102.db2.gz AFMNHKWWIXSZQC-GJZGRUSLSA-N 1 1 331.420 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(C)n1 ZINC001106153822 767403105 /nfs/dbraw/zinc/40/31/05/767403105.db2.gz AFMNHKWWIXSZQC-GJZGRUSLSA-N 1 1 331.420 0.080 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046672432 767454745 /nfs/dbraw/zinc/45/47/45/767454745.db2.gz VQSPAJUPOKQOKO-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](CCc3ccnn3C)C2)nn1 ZINC001046680714 767469229 /nfs/dbraw/zinc/46/92/29/767469229.db2.gz GZCAEVORIPRSJX-KRWDZBQOSA-N 1 1 343.435 0.635 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001046681638 767471016 /nfs/dbraw/zinc/47/10/16/767471016.db2.gz QQPLUZRJDUQSDC-MLGOLLRUSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001046681638 767471018 /nfs/dbraw/zinc/47/10/18/767471018.db2.gz QQPLUZRJDUQSDC-MLGOLLRUSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001046682301 767472390 /nfs/dbraw/zinc/47/23/90/767472390.db2.gz YOFFNBRRQKABJB-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001046682301 767472394 /nfs/dbraw/zinc/47/23/94/767472394.db2.gz YOFFNBRRQKABJB-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)Cn3cc[nH+]c3C(C)C)C2)C1=O ZINC001031034304 767484447 /nfs/dbraw/zinc/48/44/47/767484447.db2.gz NPZZWQIGHQTZOP-HNNXBMFYSA-N 1 1 345.447 0.594 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001046689475 767485893 /nfs/dbraw/zinc/48/58/93/767485893.db2.gz KVXUDYOAEGWBIW-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001046689475 767485896 /nfs/dbraw/zinc/48/58/96/767485896.db2.gz KVXUDYOAEGWBIW-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+](CCn3cncn3)C2)nn1 ZINC001046689157 767486357 /nfs/dbraw/zinc/48/63/57/767486357.db2.gz GOIVMRPFCOVBGA-MRXNPFEDSA-N 1 1 344.423 0.340 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CC3CC3)nn1)CO2 ZINC001053969725 767491937 /nfs/dbraw/zinc/49/19/37/767491937.db2.gz VVIVSGCADLZVGX-AWEZNQCLSA-N 1 1 331.420 0.837 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046691803 767492415 /nfs/dbraw/zinc/49/24/15/767492415.db2.gz MKCGJESZWYWEAJ-KBPBESRZSA-N 1 1 337.464 0.476 20 30 ECEDMO C[N@@H+](CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)CC(C)(C)C ZINC001046695677 767500089 /nfs/dbraw/zinc/50/00/89/767500089.db2.gz LBPBPECUJSFWPZ-UHFFFAOYSA-N 1 1 335.448 0.067 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3nnn(C)c32)C1 ZINC001078296972 782635962 /nfs/dbraw/zinc/63/59/62/782635962.db2.gz ZZLHUVIXDAHCNJ-HUUCEWRRSA-N 1 1 329.404 0.709 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ncccn3)C2)C1=O ZINC001046721118 767540828 /nfs/dbraw/zinc/54/08/28/767540828.db2.gz IGWMJTMPVRSSGQ-SUMWQHHRSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ncccn3)C2)C1=O ZINC001046721118 767540833 /nfs/dbraw/zinc/54/08/33/767540833.db2.gz IGWMJTMPVRSSGQ-SUMWQHHRSA-N 1 1 329.404 0.458 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(C)c1OC)CO2 ZINC001053995332 767552127 /nfs/dbraw/zinc/55/21/27/767552127.db2.gz WEFISHMGQUYSKV-CYBMUJFWSA-N 1 1 334.420 0.968 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(N)=O)ccn1)CO2 ZINC001054026862 767629146 /nfs/dbraw/zinc/62/91/46/767629146.db2.gz HGMPNIDUGOWWPT-AWEZNQCLSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054048987 767647925 /nfs/dbraw/zinc/64/79/25/767647925.db2.gz NQCMACLZVPRTOP-CVEARBPZSA-N 1 1 328.416 0.739 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054048987 767647928 /nfs/dbraw/zinc/64/79/28/767647928.db2.gz NQCMACLZVPRTOP-CVEARBPZSA-N 1 1 328.416 0.739 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001060476336 767686650 /nfs/dbraw/zinc/68/66/50/767686650.db2.gz CRVKGZHKBDYWEJ-DOCVPZNWSA-N 1 1 326.404 0.097 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001054118555 767706510 /nfs/dbraw/zinc/70/65/10/767706510.db2.gz LHTWZGPNBIGTER-FZKQIMNGSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCN1C(=O)CCC1=O)C2 ZINC001054161474 767759639 /nfs/dbraw/zinc/75/96/39/767759639.db2.gz GQLSZIIEZHBPBE-LJQANCHMSA-N 1 1 345.443 0.863 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[C@H](OC)CN1C(C)=O)C2 ZINC001054171098 767767788 /nfs/dbraw/zinc/76/77/88/767767788.db2.gz YPNVEQSLXGWPMX-YQVWRLOYSA-N 1 1 347.459 0.570 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@]2(C)C1 ZINC000992933851 767809826 /nfs/dbraw/zinc/80/98/26/767809826.db2.gz JFYHTPJHZYWKOP-RVSPLBMKSA-N 1 1 329.404 0.658 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001054215383 767813807 /nfs/dbraw/zinc/81/38/07/767813807.db2.gz UFOMRVDHJRIKCO-QGZVFWFLSA-N 1 1 334.420 0.429 20 30 ECEDMO CN(C(=O)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)C1CC1 ZINC001007133819 767815037 /nfs/dbraw/zinc/81/50/37/767815037.db2.gz IZDHRVWFZSZHTN-ZDUSSCGKSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)C1CC1 ZINC001007133819 767815045 /nfs/dbraw/zinc/81/50/45/767815045.db2.gz IZDHRVWFZSZHTN-ZDUSSCGKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(=O)n(CC)n1)C2 ZINC001054215597 767815207 /nfs/dbraw/zinc/81/52/07/767815207.db2.gz ZSPYOMHDQDYZPJ-GOSISDBHSA-N 1 1 328.416 0.825 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 ZINC001054227402 767835223 /nfs/dbraw/zinc/83/52/23/767835223.db2.gz NBMSFFUJTMBSQB-KRWDZBQOSA-N 1 1 342.403 0.532 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001054227598 767835693 /nfs/dbraw/zinc/83/56/93/767835693.db2.gz PKCRVHIRMIXXQK-GOSISDBHSA-N 1 1 346.431 0.218 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)nc1 ZINC001054229119 767837278 /nfs/dbraw/zinc/83/72/78/767837278.db2.gz KOLQDFPEBXCQNJ-IFXJQAMLSA-N 1 1 340.427 0.865 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)C1 ZINC001055064753 768552504 /nfs/dbraw/zinc/55/25/04/768552504.db2.gz SFORQDDPEXSDCA-UKMLZYKCSA-N 1 1 340.431 0.916 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)[C@@H](O)C1 ZINC001083733900 768570297 /nfs/dbraw/zinc/57/02/97/768570297.db2.gz JKFXPXYNYSAKHX-MJBXVCDLSA-N 1 1 331.407 0.701 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3ccnc3)C2)nn1 ZINC001098789388 768572683 /nfs/dbraw/zinc/57/26/83/768572683.db2.gz CHAWLEZBFGBYDP-OAHLLOKOSA-N 1 1 329.408 0.614 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001017978562 768576069 /nfs/dbraw/zinc/57/60/69/768576069.db2.gz OZOWDOKWDPVCGV-KFWWJZLASA-N 1 1 328.420 0.324 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001018028122 768632233 /nfs/dbraw/zinc/63/22/33/768632233.db2.gz ODZCORWPESGWEF-BETUJISGSA-N 1 1 348.403 0.048 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncn2nccc2c1=O ZINC001018028920 768632858 /nfs/dbraw/zinc/63/28/58/768632858.db2.gz UXTYDVLYGKHFEO-OKILXGFUSA-N 1 1 342.403 0.142 20 30 ECEDMO CCN(CCNc1ncc(C#N)cc1F)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001106709824 768696177 /nfs/dbraw/zinc/69/61/77/768696177.db2.gz HVXQVQNWEJHQDI-AWEZNQCLSA-N 1 1 335.383 0.683 20 30 ECEDMO CCN(CCNc1ncc(C#N)cc1F)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001106709824 768696182 /nfs/dbraw/zinc/69/61/82/768696182.db2.gz HVXQVQNWEJHQDI-AWEZNQCLSA-N 1 1 335.383 0.683 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001099246379 768700207 /nfs/dbraw/zinc/70/02/07/768700207.db2.gz TYEVFLSAQJDYDG-QWHCGFSZSA-N 1 1 329.466 0.164 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001055376449 768833292 /nfs/dbraw/zinc/83/32/92/768833292.db2.gz CDNZIYUDUUBZQR-HRCADAONSA-N 1 1 349.475 0.979 20 30 ECEDMO Cc1cc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)on1 ZINC001055516270 768988446 /nfs/dbraw/zinc/98/84/46/768988446.db2.gz DUFXHWMLDXRFKR-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(c2cncc(C#N)n2)C3)C1 ZINC001055534797 769038948 /nfs/dbraw/zinc/03/89/48/769038948.db2.gz KBTCUPSQKHIEAA-GLJUWKHASA-N 1 1 340.431 0.775 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CCNC(=O)CC3)C2)nc1 ZINC001031278596 769046244 /nfs/dbraw/zinc/04/62/44/769046244.db2.gz RYEXMZFPHSIMIC-CQSZACIVSA-N 1 1 326.400 0.393 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(C(N)=O)c1 ZINC001018300547 769054716 /nfs/dbraw/zinc/05/47/16/769054716.db2.gz GFKVKXKVNABDTL-IYBDPMFKSA-N 1 1 341.411 0.863 20 30 ECEDMO C=CCCC(=O)NCC[NH+]1CCC(NC(=O)Cc2cc(C)n[nH]2)CC1 ZINC001055539538 769055778 /nfs/dbraw/zinc/05/57/78/769055778.db2.gz ACIMPGRNHJTXJJ-UHFFFAOYSA-N 1 1 347.463 0.924 20 30 ECEDMO Cc1cc(C(=O)NC2CC[NH+](CCNC(=O)C#CC(C)C)CC2)no1 ZINC001055573026 769151446 /nfs/dbraw/zinc/15/14/46/769151446.db2.gz OCFJTJRIPZITCR-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2cnccn2)CC1 ZINC001055574037 769156844 /nfs/dbraw/zinc/15/68/44/769156844.db2.gz OKODNSRHQMNGQP-UHFFFAOYSA-N 1 1 341.415 0.200 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[NH+]2CCC(NC(=O)CC)CC2)nn1 ZINC001055580867 769180490 /nfs/dbraw/zinc/18/04/90/769180490.db2.gz UKZXPWMYVIXCRQ-UHFFFAOYSA-N 1 1 348.451 0.575 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H](C)OC)C2)CC1 ZINC001018358893 769186905 /nfs/dbraw/zinc/18/69/05/769186905.db2.gz WYBAWUYLOZNXNH-CVEARBPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCCS3(=O)=O)C[C@@H]21 ZINC001042084153 782734156 /nfs/dbraw/zinc/73/41/56/782734156.db2.gz OXKOFBQFFOSURL-KBPBESRZSA-N 1 1 327.450 0.131 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H]1C ZINC000993536690 769240758 /nfs/dbraw/zinc/24/07/58/769240758.db2.gz WZXMKZRHBSNPIJ-KGLIPLIRSA-N 1 1 342.403 0.926 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2ccncn2)CC1 ZINC001055622475 769278683 /nfs/dbraw/zinc/27/86/83/769278683.db2.gz LNKPSBJDCAWSDY-UHFFFAOYSA-N 1 1 341.415 0.200 20 30 ECEDMO CC[C@@H](C(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1)[NH+](C)C ZINC001055632003 769304857 /nfs/dbraw/zinc/30/48/57/769304857.db2.gz OAOJVERPUFGEGY-ZFWWWQNUSA-N 1 1 337.468 0.183 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001055632223 769307704 /nfs/dbraw/zinc/30/77/04/769307704.db2.gz QUHUONORJIJBEF-CJNGLKHVSA-N 1 1 349.479 0.183 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(-c4cccnc4)nn3)C[C@@H]21 ZINC001042088310 782740905 /nfs/dbraw/zinc/74/09/05/782740905.db2.gz PJWYBINOCXWRFI-PBHICJAKSA-N 1 1 336.399 0.832 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001055648282 769338952 /nfs/dbraw/zinc/33/89/52/769338952.db2.gz AGBMHHMPXHKGGQ-UHFFFAOYSA-N 1 1 334.424 0.010 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC000993654197 769432029 /nfs/dbraw/zinc/43/20/29/769432029.db2.gz BLLSVXBXOKOFRS-KGLIPLIRSA-N 1 1 327.388 0.098 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1C ZINC000993625281 769437082 /nfs/dbraw/zinc/43/70/82/769437082.db2.gz SWHMAORJMQSGGR-KGLIPLIRSA-N 1 1 341.415 0.937 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1C ZINC000993625281 769437089 /nfs/dbraw/zinc/43/70/89/769437089.db2.gz SWHMAORJMQSGGR-KGLIPLIRSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CC2CC2)C1 ZINC001055699230 769444693 /nfs/dbraw/zinc/44/46/93/769444693.db2.gz NGBBXBBZTBAUIV-QFBILLFUSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CC2CC2)C1 ZINC001055699230 769444698 /nfs/dbraw/zinc/44/46/98/769444698.db2.gz NGBBXBBZTBAUIV-QFBILLFUSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C ZINC000993677310 769469063 /nfs/dbraw/zinc/46/90/63/769469063.db2.gz SVWQKIIKRZTKTK-AAEUAGOBSA-N 1 1 342.407 0.300 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000993683259 769474778 /nfs/dbraw/zinc/47/47/78/769474778.db2.gz ABVSGALXWCEKPI-SWLSCSKDSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993683259 769474786 /nfs/dbraw/zinc/47/47/86/769474786.db2.gz ABVSGALXWCEKPI-SWLSCSKDSA-N 1 1 339.403 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CC(C)C)C1 ZINC001055725848 769524821 /nfs/dbraw/zinc/52/48/21/769524821.db2.gz GHFVQSDZZZCHEE-LPHOPBHVSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CC(C)C)C1 ZINC001055725848 769524824 /nfs/dbraw/zinc/52/48/24/769524824.db2.gz GHFVQSDZZZCHEE-LPHOPBHVSA-N 1 1 349.475 0.600 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnc3n2CCCC3)C1 ZINC001078357851 782766340 /nfs/dbraw/zinc/76/63/40/782766340.db2.gz CYLKQEGHBJPSRC-UONOGXRCSA-N 1 1 346.435 0.481 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001078358287 782766673 /nfs/dbraw/zinc/76/66/73/782766673.db2.gz NCUTUJKHYGSVQT-CHWSQXEVSA-N 1 1 348.451 0.969 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC001018632461 769683971 /nfs/dbraw/zinc/68/39/71/769683971.db2.gz NYOGPBMFTJYWDB-STQMWFEESA-N 1 1 325.376 0.512 20 30 ECEDMO CC(C)Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078359846 782771757 /nfs/dbraw/zinc/77/17/57/782771757.db2.gz GDVAVPBFPRGJBO-LSDHHAIUSA-N 1 1 348.451 0.801 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001078360641 782774255 /nfs/dbraw/zinc/77/42/55/782774255.db2.gz YVPCMCGEFWZMSM-CHWSQXEVSA-N 1 1 349.439 0.295 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H]1C ZINC000993921839 769885855 /nfs/dbraw/zinc/88/58/55/769885855.db2.gz YQULJLGWIVZDFZ-KBPBESRZSA-N 1 1 344.419 0.436 20 30 ECEDMO C=CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055837167 769917487 /nfs/dbraw/zinc/91/74/87/769917487.db2.gz KTWIWPOJSRUTKW-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cn1 ZINC000993949417 769930830 /nfs/dbraw/zinc/93/08/30/769930830.db2.gz BCLONNUUTZYYTK-INIZCTEOSA-N 1 1 349.394 0.778 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3nc4ncc(C)cn4n3)C[C@H]21 ZINC001042110417 782790679 /nfs/dbraw/zinc/79/06/79/782790679.db2.gz WJHIJWBGQMMYMH-HUUCEWRRSA-N 1 1 338.415 0.992 20 30 ECEDMO C#CCCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055894449 770122695 /nfs/dbraw/zinc/12/26/95/770122695.db2.gz CNKRHEUYQLWVMX-VQIMIIECSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 ZINC001042123778 782809649 /nfs/dbraw/zinc/80/96/49/782809649.db2.gz VEIBUGQCMQJMEY-HUUCEWRRSA-N 1 1 326.462 0.920 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001018880230 770178901 /nfs/dbraw/zinc/17/89/01/770178901.db2.gz OUTTXJJTIHWEEK-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055911361 770182905 /nfs/dbraw/zinc/18/29/05/770182905.db2.gz ZDESVFFQJZXXNW-GPMSIDNRSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055911381 770184121 /nfs/dbraw/zinc/18/41/21/770184121.db2.gz ZHRKXRQTIOYWIP-YJBOKZPZSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001055912801 770191341 /nfs/dbraw/zinc/19/13/41/770191341.db2.gz SXXKZFOGBQMGPS-APWZRJJASA-N 1 1 349.475 0.744 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001018897460 770229018 /nfs/dbraw/zinc/22/90/18/770229018.db2.gz GPYPMEYVWWYIRW-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001018897460 770229027 /nfs/dbraw/zinc/22/90/27/770229027.db2.gz GPYPMEYVWWYIRW-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001055932953 770270407 /nfs/dbraw/zinc/27/04/07/770270407.db2.gz IFGFGAMSJLSIAF-YJBOKZPZSA-N 1 1 335.448 0.067 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055935691 770282051 /nfs/dbraw/zinc/28/20/51/770282051.db2.gz YIMGDUGIRDBGEX-GPMSIDNRSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C ZINC000994204705 770299900 /nfs/dbraw/zinc/29/99/00/770299900.db2.gz WAGKZAJCQYNPAR-TWMKSMIVSA-N 1 1 347.459 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C ZINC000994204705 770299909 /nfs/dbraw/zinc/29/99/09/770299909.db2.gz WAGKZAJCQYNPAR-TWMKSMIVSA-N 1 1 347.459 0.331 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC000994211647 770314677 /nfs/dbraw/zinc/31/46/77/770314677.db2.gz ODNXQFSOFILBBT-NEPJUHHUSA-N 1 1 328.376 0.024 20 30 ECEDMO C=CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055955297 770357369 /nfs/dbraw/zinc/35/73/69/770357369.db2.gz ZELVJYNRHWKDLI-QAPCUYQASA-N 1 1 337.464 0.764 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)[C@@H]2C)cn1 ZINC000994245779 770407437 /nfs/dbraw/zinc/40/74/37/770407437.db2.gz XYYVOWAFWLGGBL-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)cn1 ZINC000994245779 770407445 /nfs/dbraw/zinc/40/74/45/770407445.db2.gz XYYVOWAFWLGGBL-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC000994336448 770636073 /nfs/dbraw/zinc/63/60/73/770636073.db2.gz KEHYXMVSFXVHQS-STQMWFEESA-N 1 1 334.420 0.309 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001056060776 770710922 /nfs/dbraw/zinc/71/09/22/770710922.db2.gz NEWKWVVJCOAZKL-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)nnn4C)C[C@H]21 ZINC001042156754 782866215 /nfs/dbraw/zinc/86/62/15/782866215.db2.gz VYMBNEZQCNSQIT-CZUORRHYSA-N 1 1 338.415 0.923 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCCO2)n1C ZINC001078398340 782869465 /nfs/dbraw/zinc/86/94/65/782869465.db2.gz MVJINKMNLKEUOD-HNNXBMFYSA-N 1 1 345.447 0.498 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@]2(CO)CCCN(C(=O)C#CC3CC3)C2)C1 ZINC001056127902 770891025 /nfs/dbraw/zinc/89/10/25/770891025.db2.gz IQDTVBYVTKAEQU-DNVCBOLYSA-N 1 1 347.459 0.211 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC3=CCOCC3)[C@@H](O)C2)cc1 ZINC001083754257 770904981 /nfs/dbraw/zinc/90/49/81/770904981.db2.gz ISKGPXOKBQQEEJ-MSOLQXFVSA-N 1 1 341.411 0.956 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CC3=CCOCC3)[C@@H](O)C2)cc1 ZINC001083754257 770904985 /nfs/dbraw/zinc/90/49/85/770904985.db2.gz ISKGPXOKBQQEEJ-MSOLQXFVSA-N 1 1 341.411 0.956 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ccc[nH]1)C2 ZINC001019143637 770916417 /nfs/dbraw/zinc/91/64/17/770916417.db2.gz RDQBVBMITLOACU-INIZCTEOSA-N 1 1 340.427 0.787 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1ccc[nH]1)C2 ZINC001019143637 770916421 /nfs/dbraw/zinc/91/64/21/770916421.db2.gz RDQBVBMITLOACU-INIZCTEOSA-N 1 1 340.427 0.787 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001060700232 771020402 /nfs/dbraw/zinc/02/04/02/771020402.db2.gz ZITUAWFRYFDGPS-ZQDZILKHSA-N 1 1 336.436 0.268 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001060700232 771020409 /nfs/dbraw/zinc/02/04/09/771020409.db2.gz ZITUAWFRYFDGPS-ZQDZILKHSA-N 1 1 336.436 0.268 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001056233570 771025746 /nfs/dbraw/zinc/02/57/46/771025746.db2.gz VJUGFAMFIQOACV-XUWVNRHRSA-N 1 1 341.415 0.225 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001056233570 771025753 /nfs/dbraw/zinc/02/57/53/771025753.db2.gz VJUGFAMFIQOACV-XUWVNRHRSA-N 1 1 341.415 0.225 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3cccc(C#N)c3)C2)C1 ZINC001031420528 771033848 /nfs/dbraw/zinc/03/38/48/771033848.db2.gz PAZNBKCYELEHCR-KRWDZBQOSA-N 1 1 328.416 0.579 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3cccc(C#N)c3)C2)C1 ZINC001031420528 771033854 /nfs/dbraw/zinc/03/38/54/771033854.db2.gz PAZNBKCYELEHCR-KRWDZBQOSA-N 1 1 328.416 0.579 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001019234475 771037566 /nfs/dbraw/zinc/03/75/66/771037566.db2.gz JQTBALILBRBYRE-GJZGRUSLSA-N 1 1 330.363 0.524 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)C1 ZINC001056252716 771044582 /nfs/dbraw/zinc/04/45/82/771044582.db2.gz GLZIXQVHJNYZIG-FJZAXULXSA-N 1 1 326.404 0.241 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001019256757 771067818 /nfs/dbraw/zinc/06/78/18/771067818.db2.gz USGODLQMQGDKOV-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001019256757 771067822 /nfs/dbraw/zinc/06/78/22/771067822.db2.gz USGODLQMQGDKOV-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001019256758 771067904 /nfs/dbraw/zinc/06/79/04/771067904.db2.gz USGODLQMQGDKOV-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001019256758 771067908 /nfs/dbraw/zinc/06/79/08/771067908.db2.gz USGODLQMQGDKOV-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C#CC(C)C ZINC001212231057 771095779 /nfs/dbraw/zinc/09/57/79/771095779.db2.gz JRPVIYSFNDSQEU-IAGOWNOFSA-N 1 1 343.427 0.760 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C#CC(C)C ZINC001212231057 771095785 /nfs/dbraw/zinc/09/57/85/771095785.db2.gz JRPVIYSFNDSQEU-IAGOWNOFSA-N 1 1 343.427 0.760 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@H]21 ZINC001042179442 782898215 /nfs/dbraw/zinc/89/82/15/782898215.db2.gz MBWHNLFYCDUWHT-HZPDHXFCSA-N 1 1 342.443 0.957 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089432539 771161322 /nfs/dbraw/zinc/16/13/22/771161322.db2.gz BSVDLQSTCIMFRS-ZDUSSCGKSA-N 1 1 334.420 0.742 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001060719570 771185864 /nfs/dbraw/zinc/18/58/64/771185864.db2.gz ITXNNJPZDHZHOI-BRWVUGGUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001060719570 771185866 /nfs/dbraw/zinc/18/58/66/771185866.db2.gz ITXNNJPZDHZHOI-BRWVUGGUSA-N 1 1 349.475 0.912 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001056412002 771244001 /nfs/dbraw/zinc/24/40/01/771244001.db2.gz FURQOILQMZKLHT-HVOFVXBASA-N 1 1 326.404 0.383 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(N)=O)CC(C)(C)C1 ZINC001089476232 771283367 /nfs/dbraw/zinc/28/33/67/771283367.db2.gz LPXPHAMWTPATGT-JTQLQIEISA-N 1 1 332.242 0.987 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)CC(C)(C)C1 ZINC001089476232 771283370 /nfs/dbraw/zinc/28/33/70/771283370.db2.gz LPXPHAMWTPATGT-JTQLQIEISA-N 1 1 332.242 0.987 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001056460614 771295530 /nfs/dbraw/zinc/29/55/30/771295530.db2.gz GWZZMEYWVOXSRM-QXSJWSMHSA-N 1 1 340.431 0.692 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccc(OC)n3)C[C@H]21 ZINC001056466835 771304172 /nfs/dbraw/zinc/30/41/72/771304172.db2.gz GKQHIRLCOQODGO-KNCOVGOOSA-N 1 1 341.415 0.134 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccc(OC)n3)C[C@H]21 ZINC001056466835 771304178 /nfs/dbraw/zinc/30/41/78/771304178.db2.gz GKQHIRLCOQODGO-KNCOVGOOSA-N 1 1 341.415 0.134 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnc(C)s3)C2)C1=O ZINC001031575152 771320024 /nfs/dbraw/zinc/32/00/24/771320024.db2.gz GYCJPPXAIWJMHK-CYBMUJFWSA-N 1 1 334.445 0.900 20 30 ECEDMO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031580306 771331905 /nfs/dbraw/zinc/33/19/05/771331905.db2.gz VGCWTZZLZCKYSR-HOTGVXAUSA-N 1 1 327.384 0.915 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC(C)(C)C1 ZINC001089507456 771375745 /nfs/dbraw/zinc/37/57/45/771375745.db2.gz OMCOPYIMURLOFL-STQMWFEESA-N 1 1 334.420 0.215 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089518449 771390547 /nfs/dbraw/zinc/39/05/47/771390547.db2.gz FNHBGRVCBNGYHP-CYBMUJFWSA-N 1 1 334.420 0.168 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001056647992 771466738 /nfs/dbraw/zinc/46/67/38/771466738.db2.gz DGQGUFXDGTZRJE-CVEARBPZSA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001056647992 771466741 /nfs/dbraw/zinc/46/67/41/771466741.db2.gz DGQGUFXDGTZRJE-CVEARBPZSA-N 1 1 329.404 0.687 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccnc4c3nnn4C)C[C@@H]21 ZINC001042200382 782928331 /nfs/dbraw/zinc/92/83/31/782928331.db2.gz BXZOFXVWYFVJJN-ZFWWWQNUSA-N 1 1 338.415 0.923 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089562053 771498660 /nfs/dbraw/zinc/49/86/60/771498660.db2.gz WFCWOVCYUHAOJK-KGLIPLIRSA-N 1 1 341.477 0.308 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001056760918 771602822 /nfs/dbraw/zinc/60/28/22/771602822.db2.gz RVGFQTNUJDUJCK-NVXWUHKLSA-N 1 1 343.431 0.497 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001056760918 771602823 /nfs/dbraw/zinc/60/28/23/771602823.db2.gz RVGFQTNUJDUJCK-NVXWUHKLSA-N 1 1 343.431 0.497 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001019628837 771629104 /nfs/dbraw/zinc/62/91/04/771629104.db2.gz UCUKQTYFNKVTAD-ZDUSSCGKSA-N 1 1 342.403 0.779 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001056802966 771662937 /nfs/dbraw/zinc/66/29/37/771662937.db2.gz NMQODTYLSALBPI-HZSPNIEDSA-N 1 1 328.420 0.513 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001056812030 771675299 /nfs/dbraw/zinc/67/52/99/771675299.db2.gz APSINFXSMQTWTA-UMVBOHGHSA-N 1 1 344.419 0.389 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001056812030 771675300 /nfs/dbraw/zinc/67/53/00/771675300.db2.gz APSINFXSMQTWTA-UMVBOHGHSA-N 1 1 344.419 0.389 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CCF)C2)nc1 ZINC001019676808 771704235 /nfs/dbraw/zinc/70/42/35/771704235.db2.gz FJYBRKWXSCRBNN-AWEZNQCLSA-N 1 1 342.378 0.628 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001019708485 771724143 /nfs/dbraw/zinc/72/41/43/771724143.db2.gz JSONXFMBLOCFAG-BBRMVZONSA-N 1 1 338.415 0.686 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057028256 771963631 /nfs/dbraw/zinc/96/36/31/771963631.db2.gz ZFVKQIVEJJQEGN-HIFRSBDPSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2nccc(C)n2)C1 ZINC001057061251 772016236 /nfs/dbraw/zinc/01/62/36/772016236.db2.gz YIWZRVOALRFMCA-CVEARBPZSA-N 1 1 327.432 0.920 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2nccc(C)n2)C1 ZINC001057061251 772016238 /nfs/dbraw/zinc/01/62/38/772016238.db2.gz YIWZRVOALRFMCA-CVEARBPZSA-N 1 1 327.432 0.920 20 30 ECEDMO CN(C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001020084517 772138788 /nfs/dbraw/zinc/13/87/88/772138788.db2.gz DRFQLVSRNFYCGE-XYPYZODXSA-N 1 1 329.364 0.386 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001057143820 772159203 /nfs/dbraw/zinc/15/92/03/772159203.db2.gz CXDOBOFYODUPTL-OAHLLOKOSA-N 1 1 343.468 0.245 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001057172886 772213623 /nfs/dbraw/zinc/21/36/23/772213623.db2.gz WKVZITSQVGEHNL-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057202330 772265504 /nfs/dbraw/zinc/26/55/04/772265504.db2.gz JNPIAVFUJPBKDL-UHFFFAOYSA-N 1 1 325.376 0.592 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057212614 772287232 /nfs/dbraw/zinc/28/72/32/772287232.db2.gz RIHMETCOTANPQH-ZDUSSCGKSA-N 1 1 345.871 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccns2)[C@H]1C ZINC001020310809 772429410 /nfs/dbraw/zinc/42/94/10/772429410.db2.gz LRCVANLDDISNPW-IHRRRGAJSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccns2)[C@H]1C ZINC001020310809 772429412 /nfs/dbraw/zinc/42/94/12/772429412.db2.gz LRCVANLDDISNPW-IHRRRGAJSA-N 1 1 346.456 0.960 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccc(C#N)nc3)CC2)C1 ZINC001057303451 772432856 /nfs/dbraw/zinc/43/28/56/772432856.db2.gz WREJYRBMXXFARV-INIZCTEOSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccc(C#N)nc3)CC2)C1 ZINC001057303451 772432859 /nfs/dbraw/zinc/43/28/59/772432859.db2.gz WREJYRBMXXFARV-INIZCTEOSA-N 1 1 329.404 0.687 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1=CCCC1 ZINC001057340434 772486431 /nfs/dbraw/zinc/48/64/31/772486431.db2.gz WRCDRFLOEYKLKU-INIZCTEOSA-N 1 1 333.432 0.131 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1=CCCC1 ZINC001057340434 772486433 /nfs/dbraw/zinc/48/64/33/772486433.db2.gz WRCDRFLOEYKLKU-INIZCTEOSA-N 1 1 333.432 0.131 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2nccc(OC)n2)CC1 ZINC001057448972 772628011 /nfs/dbraw/zinc/62/80/11/772628011.db2.gz OFKDIWPTQVGCSO-HNNXBMFYSA-N 1 1 343.431 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2nccc(OC)n2)CC1 ZINC001057448972 772628015 /nfs/dbraw/zinc/62/80/15/772628015.db2.gz OFKDIWPTQVGCSO-HNNXBMFYSA-N 1 1 343.431 0.986 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001057668079 772890987 /nfs/dbraw/zinc/89/09/87/772890987.db2.gz OIXCDENIYITAFJ-ZIAGYGMSSA-N 1 1 328.420 0.515 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057786037 772981649 /nfs/dbraw/zinc/98/16/49/772981649.db2.gz CBQWEGGDGHBJNJ-OAHLLOKOSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057786037 772981651 /nfs/dbraw/zinc/98/16/51/772981651.db2.gz CBQWEGGDGHBJNJ-OAHLLOKOSA-N 1 1 344.419 0.011 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001057806929 773006372 /nfs/dbraw/zinc/00/63/72/773006372.db2.gz XGHUBNRBRUEFCT-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001057806929 773006374 /nfs/dbraw/zinc/00/63/74/773006374.db2.gz XGHUBNRBRUEFCT-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001057821661 773031304 /nfs/dbraw/zinc/03/13/04/773031304.db2.gz NVTJVAOJGZPTPL-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC)CCC1 ZINC001057821804 773031875 /nfs/dbraw/zinc/03/18/75/773031875.db2.gz UDZGVLMWBQMFAZ-UHFFFAOYSA-N 1 1 337.464 0.459 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057873193 773106329 /nfs/dbraw/zinc/10/63/29/773106329.db2.gz KANCFZKLUUGTAT-UHFFFAOYSA-N 1 1 325.376 0.638 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC001057918679 773183337 /nfs/dbraw/zinc/18/33/37/773183337.db2.gz VTQMZMYMLGMJFS-UHFFFAOYSA-N 1 1 339.403 0.947 20 30 ECEDMO C=CCCOCC(=O)N(CCO)CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001057920247 773185444 /nfs/dbraw/zinc/18/54/44/773185444.db2.gz MCDVHVCIRRHCSM-UHFFFAOYSA-N 1 1 343.468 0.247 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)C(C)(C)[N@H+](C)CC ZINC001057942516 773234902 /nfs/dbraw/zinc/23/49/02/773234902.db2.gz JEVWVITXFORHEG-UHFFFAOYSA-N 1 1 327.469 0.866 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC(C)C ZINC001057961124 773290622 /nfs/dbraw/zinc/29/06/22/773290622.db2.gz JTVRMVNIZVUJQL-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC(C)C ZINC001057961124 773290628 /nfs/dbraw/zinc/29/06/28/773290628.db2.gz JTVRMVNIZVUJQL-INIZCTEOSA-N 1 1 337.464 0.457 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057974235 773319992 /nfs/dbraw/zinc/31/99/92/773319992.db2.gz OJDLCAXZZKXDRH-IAGOWNOFSA-N 1 1 349.475 0.600 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCN(c2ncccc2C#N)CC1 ZINC001058043339 773416529 /nfs/dbraw/zinc/41/65/29/773416529.db2.gz JOWCRUQOEHOOKX-INIZCTEOSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCN(c2ncccc2C#N)CC1 ZINC001058043339 773416531 /nfs/dbraw/zinc/41/65/31/773416531.db2.gz JOWCRUQOEHOOKX-INIZCTEOSA-N 1 1 343.431 0.711 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058112615 773558016 /nfs/dbraw/zinc/55/80/16/773558016.db2.gz AKTSWSWTXMRGAY-OAHLLOKOSA-N 1 1 336.436 0.731 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058241666 773829927 /nfs/dbraw/zinc/82/99/27/773829927.db2.gz WSKOEGGXIFEIEM-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)C2)O1 ZINC001058264382 773876747 /nfs/dbraw/zinc/87/67/47/773876747.db2.gz WOJCLAGZLAHJPX-UKPHBRMFSA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)C2)O1 ZINC001058264382 773876748 /nfs/dbraw/zinc/87/67/48/773876748.db2.gz WOJCLAGZLAHJPX-UKPHBRMFSA-N 1 1 343.431 0.757 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001058314575 773955776 /nfs/dbraw/zinc/95/57/76/773955776.db2.gz MCROQZPYERIVQS-OCCSQVGLSA-N 1 1 328.420 0.700 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058376556 774060563 /nfs/dbraw/zinc/06/05/63/774060563.db2.gz PWNUGSAZJCTQEM-HOCLYGCPSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058376556 774060572 /nfs/dbraw/zinc/06/05/72/774060572.db2.gz PWNUGSAZJCTQEM-HOCLYGCPSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058376720 774061236 /nfs/dbraw/zinc/06/12/36/774061236.db2.gz UFDNRJFSJRFNDG-CABCVRRESA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058376720 774061244 /nfs/dbraw/zinc/06/12/44/774061244.db2.gz UFDNRJFSJRFNDG-CABCVRRESA-N 1 1 329.404 0.369 20 30 ECEDMO N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001058470076 774246176 /nfs/dbraw/zinc/24/61/76/774246176.db2.gz YSXSYTFSKZYKSU-TZMCWYRMSA-N 1 1 337.387 0.817 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)no1 ZINC001058484324 774279083 /nfs/dbraw/zinc/27/90/83/774279083.db2.gz OIBZFIANAKOUGL-NSHDSACASA-N 1 1 341.375 0.407 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058521717 774353969 /nfs/dbraw/zinc/35/39/69/774353969.db2.gz RWXRFNJKZAYEPT-HZPDHXFCSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)C1 ZINC001058521717 774353974 /nfs/dbraw/zinc/35/39/74/774353974.db2.gz RWXRFNJKZAYEPT-HZPDHXFCSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001058573798 774457654 /nfs/dbraw/zinc/45/76/54/774457654.db2.gz WTDRHNCOYUUVJD-QLFBSQMISA-N 1 1 328.420 0.773 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001039858202 783200733 /nfs/dbraw/zinc/20/07/33/783200733.db2.gz MAEHMMGFKKWUBD-SPYBWZPUSA-N 1 1 349.475 0.763 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(c3cnc(C#N)cn3)[C@H]2C1 ZINC001044941703 774749664 /nfs/dbraw/zinc/74/96/64/774749664.db2.gz NNPYXGOGXSSZID-BPUTZDHNSA-N 1 1 340.431 0.870 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001044985250 774800629 /nfs/dbraw/zinc/80/06/29/774800629.db2.gz IHEMTNLLCHVKNM-ZIAGYGMSSA-N 1 1 325.453 0.474 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001044986357 774801601 /nfs/dbraw/zinc/80/16/01/774801601.db2.gz UZHUAMPKRIOPQO-OCCSQVGLSA-N 1 1 334.420 0.339 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1)c1nnnn1C ZINC001044999642 774816689 /nfs/dbraw/zinc/81/66/89/774816689.db2.gz HTLNUSGPPCPDFS-JQWIXIFHSA-N 1 1 328.380 0.365 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001045069639 774930696 /nfs/dbraw/zinc/93/06/96/774930696.db2.gz YKFNTBPYOXLIPX-GJZGRUSLSA-N 1 1 337.464 0.620 20 30 ECEDMO Cc1nsc(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1C#N ZINC001043873361 775170518 /nfs/dbraw/zinc/17/05/18/775170518.db2.gz BHKRTDHLCSIEMZ-UPJWGTAASA-N 1 1 335.433 0.083 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070018085 790344640 /nfs/dbraw/zinc/34/46/40/790344640.db2.gz RYRKZYJYOIRNAB-CVEARBPZSA-N 1 1 331.420 0.933 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)Cn3c[nH+]cc3C)C2)CCC1 ZINC001043910951 775291842 /nfs/dbraw/zinc/29/18/42/775291842.db2.gz XKXGAIOBCMQMJL-UHFFFAOYSA-N 1 1 344.415 0.075 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2C)[C@@H](n2ccnn2)C1 ZINC001070025865 790369154 /nfs/dbraw/zinc/36/91/54/790369154.db2.gz NSGGVWTVDUZKIS-SJORKVTESA-N 1 1 338.415 0.589 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2(C)CCN([C@H](C)C(=O)NC)CC2)CC1 ZINC001045646666 775961422 /nfs/dbraw/zinc/96/14/22/775961422.db2.gz LMAMUVDNFVEMPY-OAHLLOKOSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001044470577 776331073 /nfs/dbraw/zinc/33/10/73/776331073.db2.gz PPKZLVKWHBVBDN-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O ZINC001044537992 776408230 /nfs/dbraw/zinc/40/82/30/776408230.db2.gz GZYBUWVLOBIPOT-DFBGVHRSSA-N 1 1 347.394 0.242 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070050675 790454354 /nfs/dbraw/zinc/45/43/54/790454354.db2.gz MMXSRPJCNCNGOJ-ZNMIVQPWSA-N 1 1 346.435 0.255 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C#CC2CC2)C1 ZINC001079742710 776786377 /nfs/dbraw/zinc/78/63/77/776786377.db2.gz IVVFSGCJRZCLJX-KRWDZBQOSA-N 1 1 327.428 0.557 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C#CC2CC2)C1 ZINC001079742710 776786382 /nfs/dbraw/zinc/78/63/82/776786382.db2.gz IVVFSGCJRZCLJX-KRWDZBQOSA-N 1 1 327.428 0.557 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1nccn1 ZINC001079773960 776843668 /nfs/dbraw/zinc/84/36/68/776843668.db2.gz HXWFOKUWDPYDJC-BXUZGUMPSA-N 1 1 330.417 0.848 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1nccn1 ZINC001079773960 776843679 /nfs/dbraw/zinc/84/36/79/776843679.db2.gz HXWFOKUWDPYDJC-BXUZGUMPSA-N 1 1 330.417 0.848 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001079774333 776844861 /nfs/dbraw/zinc/84/48/61/776844861.db2.gz AYLDBTBOUHZMKW-HZPDHXFCSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079775410 776848574 /nfs/dbraw/zinc/84/85/74/776848574.db2.gz XVQHCQFHCITCRG-ZBFHGGJFSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001079776204 776850066 /nfs/dbraw/zinc/85/00/66/776850066.db2.gz DDBHPYYHEORWHV-BEFAXECRSA-N 1 1 347.459 0.570 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068528053 790485933 /nfs/dbraw/zinc/48/59/33/790485933.db2.gz TUJFNMVSIUKIQD-RBSFLKMASA-N 1 1 342.447 0.950 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070066981 790494329 /nfs/dbraw/zinc/49/43/29/790494329.db2.gz BSFPMFVRDZUXRT-CABCVRRESA-N 1 1 339.403 0.557 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070066981 790494336 /nfs/dbraw/zinc/49/43/36/790494336.db2.gz BSFPMFVRDZUXRT-CABCVRRESA-N 1 1 339.403 0.557 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2coc(COC)n2)[C@@H](n2ccnn2)C1 ZINC001070067306 790496104 /nfs/dbraw/zinc/49/61/04/790496104.db2.gz JZMMIBNWWXHZTN-OCCSQVGLSA-N 1 1 344.375 0.091 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2coc(COC)n2)[C@@H](n2ccnn2)C1 ZINC001070067306 790496111 /nfs/dbraw/zinc/49/61/11/790496111.db2.gz JZMMIBNWWXHZTN-OCCSQVGLSA-N 1 1 344.375 0.091 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1C ZINC001079878444 777011107 /nfs/dbraw/zinc/01/11/07/777011107.db2.gz ZEIKYLMIKRNMEU-NXHRZFHOSA-N 1 1 343.475 0.497 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COCCC=C)C1 ZINC001079979681 777185856 /nfs/dbraw/zinc/18/58/56/777185856.db2.gz KPYNBRGDBXRQNP-KRWDZBQOSA-N 1 1 347.459 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COCCC=C)C1 ZINC001079979681 777185862 /nfs/dbraw/zinc/18/58/62/777185862.db2.gz KPYNBRGDBXRQNP-KRWDZBQOSA-N 1 1 347.459 0.736 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](C)OCC=C)C1 ZINC001079983026 777190678 /nfs/dbraw/zinc/19/06/78/777190678.db2.gz PCLDSCQORTZVCI-WBVHZDCISA-N 1 1 347.459 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](C)OCC=C)C1 ZINC001079983026 777190680 /nfs/dbraw/zinc/19/06/80/777190680.db2.gz PCLDSCQORTZVCI-WBVHZDCISA-N 1 1 347.459 0.734 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001080012611 777227907 /nfs/dbraw/zinc/22/79/07/777227907.db2.gz HPUUHEOGDNXSKR-CVEARBPZSA-N 1 1 349.475 0.958 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001080017923 777238660 /nfs/dbraw/zinc/23/86/60/777238660.db2.gz ZSFJXKJCPIGERO-CHWSQXEVSA-N 1 1 328.376 0.393 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001080050997 777306075 /nfs/dbraw/zinc/30/60/75/777306075.db2.gz MCCPUXCGNKHXMB-HOCLYGCPSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC)cn2)[C@@H](n2ccnn2)C1 ZINC001070080355 790533724 /nfs/dbraw/zinc/53/37/24/790533724.db2.gz AKLOHYLMGFZZNV-HIFRSBDPSA-N 1 1 329.408 0.726 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001080206142 777555915 /nfs/dbraw/zinc/55/59/15/777555915.db2.gz LODOQQBNHBPSQT-IIAWOOMASA-N 1 1 330.432 0.997 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261299 777622576 /nfs/dbraw/zinc/62/25/76/777622576.db2.gz JKQDYYISWRSSNP-DJSGYFEHSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261299 777622580 /nfs/dbraw/zinc/62/25/80/777622580.db2.gz JKQDYYISWRSSNP-DJSGYFEHSA-N 1 1 344.390 0.770 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001080304824 777663180 /nfs/dbraw/zinc/66/31/80/777663180.db2.gz DKCKQAOZGNRVIB-GOEBONIOSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001080304824 777663185 /nfs/dbraw/zinc/66/31/85/777663185.db2.gz DKCKQAOZGNRVIB-GOEBONIOSA-N 1 1 337.464 0.979 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001043104079 777734165 /nfs/dbraw/zinc/73/41/65/777734165.db2.gz IUIJFASFYRTTRC-KCPJHIHWSA-N 1 1 344.419 0.246 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001043104079 777734170 /nfs/dbraw/zinc/73/41/70/777734170.db2.gz IUIJFASFYRTTRC-KCPJHIHWSA-N 1 1 344.419 0.246 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001080517182 777956675 /nfs/dbraw/zinc/95/66/75/777956675.db2.gz QJDZYKTZKKJJJS-YUELXQCFSA-N 1 1 331.420 0.176 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080560100 778041575 /nfs/dbraw/zinc/04/15/75/778041575.db2.gz WABTXVVEOXGTSH-LSDHHAIUSA-N 1 1 335.448 0.426 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2C)nn1 ZINC001080585882 778095054 /nfs/dbraw/zinc/09/50/54/778095054.db2.gz PCMCAZZTJWINME-NFAWXSAZSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2C)nn1 ZINC001080585882 778095061 /nfs/dbraw/zinc/09/50/61/778095061.db2.gz PCMCAZZTJWINME-NFAWXSAZSA-N 1 1 346.435 0.183 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001080591937 778105422 /nfs/dbraw/zinc/10/54/22/778105422.db2.gz JQHZGWLRGXFICQ-NOVWEMISSA-N 1 1 340.427 0.671 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)O1 ZINC001068568982 790594035 /nfs/dbraw/zinc/59/40/35/790594035.db2.gz MXOOJTANGHEAEN-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001043415261 778291377 /nfs/dbraw/zinc/29/13/77/778291377.db2.gz OUJOJXJWAGBECH-IYBDPMFKSA-N 1 1 349.475 0.742 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001043416766 778293451 /nfs/dbraw/zinc/29/34/51/778293451.db2.gz VHVRVOXHGMTSEV-GASCZTMLSA-N 1 1 337.464 0.905 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043429747 778313227 /nfs/dbraw/zinc/31/32/27/778313227.db2.gz FITKFLXLQGIODJ-UHFFFAOYSA-N 1 1 325.453 0.618 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001070105961 790621589 /nfs/dbraw/zinc/62/15/89/790621589.db2.gz PUQKGLICSPHXBR-XHSDSOJGSA-N 1 1 343.435 0.880 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001070105961 790621599 /nfs/dbraw/zinc/62/15/99/790621599.db2.gz PUQKGLICSPHXBR-XHSDSOJGSA-N 1 1 343.435 0.880 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001043536445 778488962 /nfs/dbraw/zinc/48/89/62/778488962.db2.gz NKOSQFUHXYFUDN-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070108636 790630312 /nfs/dbraw/zinc/63/03/12/790630312.db2.gz JRYBKJKBBHOLNN-OAHLLOKOSA-N 1 1 335.448 0.379 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001070110603 790636680 /nfs/dbraw/zinc/63/66/80/790636680.db2.gz YPUIPYYRNYKTFN-CVEARBPZSA-N 1 1 340.387 0.720 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)C#CC3CC3)CCOCC2)C1 ZINC001070112062 790643259 /nfs/dbraw/zinc/64/32/59/790643259.db2.gz KZVFZKFZXUHLRZ-HNNXBMFYSA-N 1 1 333.432 0.133 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070112033 790643411 /nfs/dbraw/zinc/64/34/11/790643411.db2.gz KCZDWNNYAXIFRQ-HNNXBMFYSA-N 1 1 347.459 0.666 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(c3ncccc3C#N)C[C@@H]21 ZINC001043677184 778705026 /nfs/dbraw/zinc/70/50/26/778705026.db2.gz FXHBOXIZOCMMDD-HRCADAONSA-N 1 1 341.415 0.463 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043678634 778707646 /nfs/dbraw/zinc/70/76/46/778707646.db2.gz IBSNVONKJYXLRB-CABCVRRESA-N 1 1 335.448 0.659 20 30 ECEDMO C#CCCCCC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070122531 790684471 /nfs/dbraw/zinc/68/44/71/790684471.db2.gz ZSPUTWAHTPGAJO-MRXNPFEDSA-N 1 1 349.475 0.913 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 ZINC001042309172 780044959 /nfs/dbraw/zinc/04/49/59/780044959.db2.gz AKLCROFVGJOWFV-OCCSQVGLSA-N 1 1 342.403 0.530 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]21 ZINC001042368953 780157242 /nfs/dbraw/zinc/15/72/42/780157242.db2.gz TXRRFWNKOONSKY-DZGCQCFKSA-N 1 1 346.435 0.266 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2C)C1 ZINC001042502622 780359299 /nfs/dbraw/zinc/35/92/99/780359299.db2.gz PEWHVMVQNWLQOA-UMVBOHGHSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042509793 780366405 /nfs/dbraw/zinc/36/64/05/780366405.db2.gz CXZWEQISRCHBSR-UMVBOHGHSA-N 1 1 328.420 0.773 20 30 ECEDMO C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001079165708 780848841 /nfs/dbraw/zinc/84/88/41/780848841.db2.gz DZTQJUCPGLSDEB-CYBMUJFWSA-N 1 1 347.423 0.009 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001079345140 781011309 /nfs/dbraw/zinc/01/13/09/781011309.db2.gz ZRDDJCSPBDMUIR-JSGCOSHPSA-N 1 1 338.477 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2snnc2C)C1 ZINC001042960268 781102671 /nfs/dbraw/zinc/10/26/71/781102671.db2.gz MRKFSAKTNWKGQC-AWEZNQCLSA-N 1 1 333.461 0.587 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2snnc2C)C1 ZINC001042960268 781102672 /nfs/dbraw/zinc/10/26/72/781102672.db2.gz MRKFSAKTNWKGQC-AWEZNQCLSA-N 1 1 333.461 0.587 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001079429212 781109535 /nfs/dbraw/zinc/10/95/35/781109535.db2.gz BPLFESDXLKGUJL-DAXOMENPSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001079429212 781109541 /nfs/dbraw/zinc/10/95/41/781109541.db2.gz BPLFESDXLKGUJL-DAXOMENPSA-N 1 1 345.447 0.566 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001043015939 781186127 /nfs/dbraw/zinc/18/61/27/781186127.db2.gz DTJNWZANUJDABF-DJIMGWMZSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043043391 781234695 /nfs/dbraw/zinc/23/46/95/781234695.db2.gz JRJRIDNEQATVNG-HNNXBMFYSA-N 1 1 349.475 0.598 20 30 ECEDMO CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001079581398 781285755 /nfs/dbraw/zinc/28/57/55/781285755.db2.gz NJFIFYKLYLUATC-WQVCFCJDSA-N 1 1 343.431 0.946 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001079581398 781285760 /nfs/dbraw/zinc/28/57/60/781285760.db2.gz NJFIFYKLYLUATC-WQVCFCJDSA-N 1 1 343.431 0.946 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001079589897 781292350 /nfs/dbraw/zinc/29/23/50/781292350.db2.gz RAUNJFVPOSAZPE-WQVCFCJDSA-N 1 1 341.415 0.723 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001079589897 781292354 /nfs/dbraw/zinc/29/23/54/781292354.db2.gz RAUNJFVPOSAZPE-WQVCFCJDSA-N 1 1 341.415 0.723 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001079592510 781295736 /nfs/dbraw/zinc/29/57/36/781295736.db2.gz JNNRDLZEYWQHSI-JRPNMDOOSA-N 1 1 329.404 0.604 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001079592510 781295738 /nfs/dbraw/zinc/29/57/38/781295738.db2.gz JNNRDLZEYWQHSI-JRPNMDOOSA-N 1 1 329.404 0.604 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079601180 781307656 /nfs/dbraw/zinc/30/76/56/781307656.db2.gz MJBMCDWCUFYDEZ-ZWNOBZJWSA-N 1 1 346.416 0.554 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079601180 781307661 /nfs/dbraw/zinc/30/76/61/781307661.db2.gz MJBMCDWCUFYDEZ-ZWNOBZJWSA-N 1 1 346.416 0.554 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3=CCOCC3)C2)c1 ZINC001077622637 781368922 /nfs/dbraw/zinc/36/89/22/781368922.db2.gz UMVMEBPTPBWJRS-QZTJIDSGSA-N 1 1 341.411 0.956 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3=CCOCC3)C2)c1 ZINC001077622637 781368937 /nfs/dbraw/zinc/36/89/37/781368937.db2.gz UMVMEBPTPBWJRS-QZTJIDSGSA-N 1 1 341.411 0.956 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC001041378859 781392348 /nfs/dbraw/zinc/39/23/48/781392348.db2.gz MOERWBLXJOKMTF-GOSISDBHSA-N 1 1 328.416 0.975 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3nc4ncc(C)cn4n3)C2)C1 ZINC001041389543 781414126 /nfs/dbraw/zinc/41/41/26/781414126.db2.gz MTNRRIBLEKGRIF-SFHVURJKSA-N 1 1 338.415 0.994 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001077645599 781417327 /nfs/dbraw/zinc/41/73/27/781417327.db2.gz OIYKPPQKCGQFMR-HUUCEWRRSA-N 1 1 335.448 0.517 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O ZINC001041403139 781441256 /nfs/dbraw/zinc/44/12/56/781441256.db2.gz HCLOHKZHWXAUHF-HYVNUMGLSA-N 1 1 343.431 0.493 20 30 ECEDMO N#CCN1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041490146 781619831 /nfs/dbraw/zinc/61/98/31/781619831.db2.gz YEDSKGYAVCWEJI-FYRJDAGRSA-N 1 1 330.432 0.298 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2-c2ccccc2)C1 ZINC001077756956 781652078 /nfs/dbraw/zinc/65/20/78/781652078.db2.gz PFQSFOPUFRYDCG-GDBMZVCRSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2-c2ccccc2)C1 ZINC001077756956 781652085 /nfs/dbraw/zinc/65/20/85/781652085.db2.gz PFQSFOPUFRYDCG-GDBMZVCRSA-N 1 1 325.372 0.066 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNc3nccnc3C#N)C2)C1 ZINC001041506992 781656489 /nfs/dbraw/zinc/65/64/89/781656489.db2.gz WFEVWWZLQSORGW-ZIAGYGMSSA-N 1 1 344.419 0.329 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@H]2O)nn1 ZINC001077801048 781722134 /nfs/dbraw/zinc/72/21/34/781722134.db2.gz AGCKHPOTXOIGEN-UWTIDYAISA-N 1 1 349.435 0.054 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001077821827 781758268 /nfs/dbraw/zinc/75/82/68/781758268.db2.gz IXAXBJQHZHQMHV-BRSBDYLESA-N 1 1 328.412 0.744 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001077837677 781799864 /nfs/dbraw/zinc/79/98/64/781799864.db2.gz HEXIWLIHRLODFW-ZIAGYGMSSA-N 1 1 329.404 0.926 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041613373 781853604 /nfs/dbraw/zinc/85/36/04/781853604.db2.gz GHVIOWLGFPCBNH-SFHVURJKSA-N 1 1 342.399 0.477 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)c1 ZINC001041623124 781873272 /nfs/dbraw/zinc/87/32/72/781873272.db2.gz LPRYHEHFPYUXDT-QGZVFWFLSA-N 1 1 330.363 0.607 20 30 ECEDMO CC#CCCCC(=O)NCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001077901576 781903883 /nfs/dbraw/zinc/90/38/83/781903883.db2.gz VDDNIUVQLRMWOX-INIZCTEOSA-N 1 1 337.464 0.913 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001040786759 783436606 /nfs/dbraw/zinc/43/66/06/783436606.db2.gz LPHPCNQQDXYEHZ-CWRNSKLLSA-N 1 1 340.431 0.870 20 30 ECEDMO C=CCCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040807963 783477666 /nfs/dbraw/zinc/47/76/66/783477666.db2.gz YVENDIYDMQVNQC-BEFAXECRSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001040095662 783529423 /nfs/dbraw/zinc/52/94/23/783529423.db2.gz IVXHLNZXXGAVMT-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC1(CNC(=O)C#CC(C)C)CCOCC1 ZINC001070182267 783607694 /nfs/dbraw/zinc/60/76/94/783607694.db2.gz CMPBZHUJOFMYFB-UHFFFAOYSA-N 1 1 337.464 0.769 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccnn2CC)C[C@@H]1n1ccnn1 ZINC001070184323 783612482 /nfs/dbraw/zinc/61/24/82/783612482.db2.gz UDKXZVHFEOIDDY-OCCSQVGLSA-N 1 1 349.826 0.902 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070192771 783626360 /nfs/dbraw/zinc/62/63/60/783626360.db2.gz OHJFISXUCNDBEV-PMPSAXMXSA-N 1 1 330.436 0.126 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070192771 783626366 /nfs/dbraw/zinc/62/63/66/783626366.db2.gz OHJFISXUCNDBEV-PMPSAXMXSA-N 1 1 330.436 0.126 20 30 ECEDMO Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2n2ccnn2)o1 ZINC001070192932 783626593 /nfs/dbraw/zinc/62/65/93/783626593.db2.gz WVNZWTKWSLRBSL-CVEARBPZSA-N 1 1 340.387 0.530 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 ZINC001070233029 783709725 /nfs/dbraw/zinc/70/97/25/783709725.db2.gz XUXSDGFKFCJFPI-CYBMUJFWSA-N 1 1 338.452 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 ZINC001070233722 783711825 /nfs/dbraw/zinc/71/18/25/783711825.db2.gz CUATYTFYUBSIED-CABCVRRESA-N 1 1 346.431 0.025 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 ZINC001070233722 783711827 /nfs/dbraw/zinc/71/18/27/783711827.db2.gz CUATYTFYUBSIED-CABCVRRESA-N 1 1 346.431 0.025 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1n1ccnn1 ZINC001070259222 783758077 /nfs/dbraw/zinc/75/80/77/783758077.db2.gz DIPXDRAWMWEZOR-MBNYWOFBSA-N 1 1 343.790 0.501 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1 ZINC001070282157 783786554 /nfs/dbraw/zinc/78/65/54/783786554.db2.gz BICMQNYSKZPDPJ-OLZOCXBDSA-N 1 1 333.783 0.476 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1 ZINC001070367043 783901868 /nfs/dbraw/zinc/90/18/68/783901868.db2.gz AWDKSKORPDVNCM-VYDXJSESSA-N 1 1 347.463 0.080 20 30 ECEDMO C=C(Br)CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038137700 783904386 /nfs/dbraw/zinc/90/43/86/783904386.db2.gz QPPKUXQJFIZBOQ-NEPJUHHUSA-N 1 1 332.242 0.416 20 30 ECEDMO C=C(Br)CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038137700 783904391 /nfs/dbraw/zinc/90/43/91/783904391.db2.gz QPPKUXQJFIZBOQ-NEPJUHHUSA-N 1 1 332.242 0.416 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CC#Cc2ccc(F)cc2)C1 ZINC001038138826 783906588 /nfs/dbraw/zinc/90/65/88/783906588.db2.gz YAUGHGBZCDACPI-QZTJIDSGSA-N 1 1 345.418 0.698 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CC#Cc2ccc(F)cc2)C1 ZINC001038138826 783906597 /nfs/dbraw/zinc/90/65/97/783906597.db2.gz YAUGHGBZCDACPI-QZTJIDSGSA-N 1 1 345.418 0.698 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2C[C@H]2CCNC(=O)CC2)c1 ZINC001038140083 783910292 /nfs/dbraw/zinc/91/02/92/783910292.db2.gz NDAGGXLFYWVACK-TZMCWYRMSA-N 1 1 329.404 0.607 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2CCCN2CCCC2=O)c1 ZINC001038143327 783912341 /nfs/dbraw/zinc/91/23/41/783912341.db2.gz GIEFOUOUWSWWBP-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2=COCCO2)C1 ZINC001070392261 783947162 /nfs/dbraw/zinc/94/71/62/783947162.db2.gz OLAKGIZLLDRLOS-ZDUSSCGKSA-N 1 1 330.388 0.727 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001070402942 783975312 /nfs/dbraw/zinc/97/53/12/783975312.db2.gz IEJYKJVKEXXFQU-ZFWWWQNUSA-N 1 1 333.436 0.332 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001070403236 783977957 /nfs/dbraw/zinc/97/79/57/783977957.db2.gz OBBOPUNSOVCUIC-ZIAGYGMSSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccnn2CC)C1 ZINC001070406461 783987079 /nfs/dbraw/zinc/98/70/79/783987079.db2.gz VHAMOFOAHJQAMP-ZDUSSCGKSA-N 1 1 326.404 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2N)C1 ZINC001070406610 783988202 /nfs/dbraw/zinc/98/82/02/783988202.db2.gz ZGLHFSHNNYESGM-LLVKDONJSA-N 1 1 327.392 0.078 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001070409472 783996832 /nfs/dbraw/zinc/99/68/32/783996832.db2.gz FJMBDARAWPGTKD-OLZOCXBDSA-N 1 1 331.420 0.480 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001070411310 784000922 /nfs/dbraw/zinc/00/09/22/784000922.db2.gz KMPAOXXXBBVKQI-KGLIPLIRSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(CCF)c2)C1 ZINC001070414513 784014063 /nfs/dbraw/zinc/01/40/63/784014063.db2.gz OLOKTOQCSWEHSZ-ZDUSSCGKSA-N 1 1 344.394 0.928 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(CC)nn2)C1 ZINC001070430839 784050149 /nfs/dbraw/zinc/05/01/49/784050149.db2.gz FAWKPKIVZUPHHR-CYBMUJFWSA-N 1 1 341.419 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001070434630 784063659 /nfs/dbraw/zinc/06/36/59/784063659.db2.gz YWGVTIJWPOWLLS-KGLIPLIRSA-N 1 1 343.431 0.317 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)[C@H](C)OC)C[C@H]2c1nnc(C)[nH]1 ZINC001070440808 784079423 /nfs/dbraw/zinc/07/94/23/784079423.db2.gz MRKCPJRIDOBVDQ-JSGCOSHPSA-N 1 1 333.436 0.952 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442691 784086939 /nfs/dbraw/zinc/08/69/39/784086939.db2.gz MTGFEXFSCXSJLJ-HUUCEWRRSA-N 1 1 345.447 0.954 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1cn[nH]n1)C[C@H]2c1nnc(C)[nH]1 ZINC001070446124 784099651 /nfs/dbraw/zinc/09/96/51/784099651.db2.gz SSGCZAMWZIGBRG-LBPRGKRZSA-N 1 1 342.407 0.349 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001070913745 784105370 /nfs/dbraw/zinc/10/53/70/784105370.db2.gz WDWJZGLWFLINSM-KFWWJZLASA-N 1 1 331.416 0.916 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001070913745 784105375 /nfs/dbraw/zinc/10/53/75/784105375.db2.gz WDWJZGLWFLINSM-KFWWJZLASA-N 1 1 331.416 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)OCC=C)C1 ZINC001070921501 784118446 /nfs/dbraw/zinc/11/84/46/784118446.db2.gz AIZNMBCDVYDLIL-ZACQAIPSSA-N 1 1 347.459 0.782 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)OCC=C)C1 ZINC001070921501 784118454 /nfs/dbraw/zinc/11/84/54/784118454.db2.gz AIZNMBCDVYDLIL-ZACQAIPSSA-N 1 1 347.459 0.782 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001070945322 784187577 /nfs/dbraw/zinc/18/75/77/784187577.db2.gz GUGVTFWLJXKFKQ-VXGBXAGGSA-N 1 1 333.392 0.617 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 ZINC001070946234 784190005 /nfs/dbraw/zinc/19/00/05/784190005.db2.gz ZLKJNAJXYUYNGI-KGLIPLIRSA-N 1 1 337.420 0.022 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070502287 784197909 /nfs/dbraw/zinc/19/79/09/784197909.db2.gz HTXBTLFCCXGBGU-XYJFISCASA-N 1 1 343.475 0.812 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070502287 784197913 /nfs/dbraw/zinc/19/79/13/784197913.db2.gz HTXBTLFCCXGBGU-XYJFISCASA-N 1 1 343.475 0.812 20 30 ECEDMO COC[C@@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951482 784206358 /nfs/dbraw/zinc/20/63/58/784206358.db2.gz OORQDNYTAVEQLF-CYBMUJFWSA-N 1 1 347.419 0.185 20 30 ECEDMO COC[C@@H](C)[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951482 784206361 /nfs/dbraw/zinc/20/63/61/784206361.db2.gz OORQDNYTAVEQLF-CYBMUJFWSA-N 1 1 347.419 0.185 20 30 ECEDMO CCCC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070954907 784215608 /nfs/dbraw/zinc/21/56/08/784215608.db2.gz ASMKXVRNGCBEAM-UHFFFAOYSA-N 1 1 331.420 0.951 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001070955160 784216124 /nfs/dbraw/zinc/21/61/24/784216124.db2.gz NPKDTEYUCHKJME-AWEZNQCLSA-N 1 1 337.420 0.166 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 ZINC001070956153 784220574 /nfs/dbraw/zinc/22/05/74/784220574.db2.gz IBIPZDDKLIJFBH-GOSISDBHSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 ZINC001070956153 784220580 /nfs/dbraw/zinc/22/05/80/784220580.db2.gz IBIPZDDKLIJFBH-GOSISDBHSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001070543350 784247677 /nfs/dbraw/zinc/24/76/77/784247677.db2.gz WXIBGIWHJDCTSC-FUHWJXTLSA-N 1 1 343.475 0.669 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001070969397 784264685 /nfs/dbraw/zinc/26/46/85/784264685.db2.gz OWHZDGCIDVUGCE-QGZVFWFLSA-N 1 1 348.491 0.248 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001070970384 784268070 /nfs/dbraw/zinc/26/80/70/784268070.db2.gz BSUTWRZLFQICMP-HNNXBMFYSA-N 1 1 343.431 0.044 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001070971677 784275579 /nfs/dbraw/zinc/27/55/79/784275579.db2.gz MCPAAHYVJWTHSI-HNNXBMFYSA-N 1 1 335.452 0.035 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[C@@H](OC)C2)CC1 ZINC001070975359 784287887 /nfs/dbraw/zinc/28/78/87/784287887.db2.gz LXUJARDMFWRSRK-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[C@@H](OC)C2)CC1 ZINC001070975359 784287892 /nfs/dbraw/zinc/28/78/92/784287892.db2.gz LXUJARDMFWRSRK-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCC(=O)NCC[N@@H+](C[C@@H](C)O)CC1 ZINC001070995210 784352894 /nfs/dbraw/zinc/35/28/94/784352894.db2.gz WCCJOFVBQBWNPZ-RHSMWYFYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCC(=O)NCC[N@H+](C[C@@H](C)O)CC1 ZINC001070995210 784352903 /nfs/dbraw/zinc/35/29/03/784352903.db2.gz WCCJOFVBQBWNPZ-RHSMWYFYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001070994993 784353061 /nfs/dbraw/zinc/35/30/61/784353061.db2.gz MEIAMZQXUYTTFW-UHFFFAOYSA-N 1 1 336.480 0.555 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001071007101 784391627 /nfs/dbraw/zinc/39/16/27/784391627.db2.gz GAWVVQIUMLANLI-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001071007101 784391634 /nfs/dbraw/zinc/39/16/34/784391634.db2.gz GAWVVQIUMLANLI-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001071007671 784393125 /nfs/dbraw/zinc/39/31/25/784393125.db2.gz UMZOVBKABGUTNS-UHFFFAOYSA-N 1 1 331.420 0.016 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001071007671 784393130 /nfs/dbraw/zinc/39/31/30/784393130.db2.gz UMZOVBKABGUTNS-UHFFFAOYSA-N 1 1 331.420 0.016 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccnn2)CC1 ZINC001071010277 784402228 /nfs/dbraw/zinc/40/22/28/784402228.db2.gz DNTYLYYEKIWQKP-UHFFFAOYSA-N 1 1 331.420 0.707 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cccnn2)CC1 ZINC001071010277 784402229 /nfs/dbraw/zinc/40/22/29/784402229.db2.gz DNTYLYYEKIWQKP-UHFFFAOYSA-N 1 1 331.420 0.707 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cncn2)n1 ZINC001070599101 784412496 /nfs/dbraw/zinc/41/24/96/784412496.db2.gz HTJKWNKAFNGUFW-KBPBESRZSA-N 1 1 345.407 0.389 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2c[nH]c(C)n2)n1 ZINC001070601352 784418407 /nfs/dbraw/zinc/41/84/07/784418407.db2.gz IFLUARTYZOABNP-UONOGXRCSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn(C)cn2)n1 ZINC001070602446 784420870 /nfs/dbraw/zinc/42/08/70/784420870.db2.gz RJAMKZQPCHHALA-UONOGXRCSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C)nc2C)CC1 ZINC001071022842 784447065 /nfs/dbraw/zinc/44/70/65/784447065.db2.gz DDUYDBVKUCCKDV-UHFFFAOYSA-N 1 1 342.443 0.986 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C)nc2C)CC1 ZINC001071022842 784447068 /nfs/dbraw/zinc/44/70/68/784447068.db2.gz DDUYDBVKUCCKDV-UHFFFAOYSA-N 1 1 342.443 0.986 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1 ZINC001071025679 784454326 /nfs/dbraw/zinc/45/43/26/784454326.db2.gz QSJOCZAJBSXPLE-HNNXBMFYSA-N 1 1 345.447 0.197 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1 ZINC001071025679 784454332 /nfs/dbraw/zinc/45/43/32/784454332.db2.gz QSJOCZAJBSXPLE-HNNXBMFYSA-N 1 1 345.447 0.197 20 30 ECEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cncn2C)no1 ZINC001070630226 784461332 /nfs/dbraw/zinc/46/13/32/784461332.db2.gz HSVAHFQKPNAQKZ-KCPJHIHWSA-N 1 1 342.403 0.960 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1 ZINC001070644976 784488878 /nfs/dbraw/zinc/48/88/78/784488878.db2.gz HCLKHMOOCPPJCD-BZUAXINKSA-N 1 1 344.463 0.700 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cc(C)n[nH]1)C[C@H](C)O2 ZINC001071153884 784616047 /nfs/dbraw/zinc/61/60/47/784616047.db2.gz BLJMSOVFNRURAZ-MAUKXSAKSA-N 1 1 330.432 0.976 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cc(C)n[nH]1)C[C@@H](C)O2 ZINC001071154968 784617354 /nfs/dbraw/zinc/61/73/54/784617354.db2.gz SLMFNLRNBFJNSI-CRAIPNDOSA-N 1 1 330.432 0.976 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)C[C@@H](C)O2 ZINC001071156859 784620915 /nfs/dbraw/zinc/62/09/15/784620915.db2.gz NTPDDXAIJNGIJL-AEFFLSMTSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@@H](C)O2 ZINC001071158933 784624264 /nfs/dbraw/zinc/62/42/64/784624264.db2.gz DVCUGQBCAUABHK-CXAGYDPISA-N 1 1 333.388 0.307 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@@H](C)O2 ZINC001071159773 784628056 /nfs/dbraw/zinc/62/80/56/784628056.db2.gz RDAKSKPIERFASW-CXAGYDPISA-N 1 1 331.420 0.331 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CCOC)nn1)C[C@H](C)O2 ZINC001071164352 784638303 /nfs/dbraw/zinc/63/83/03/784638303.db2.gz LAOLPGQPRDDNEA-YOEHRIQHSA-N 1 1 349.435 0.416 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@H+](CC(=O)NC3CC3)C2)O1 ZINC001071166051 784640537 /nfs/dbraw/zinc/64/05/37/784640537.db2.gz BFMQAJNCCFCZDC-AUUYWEPGSA-N 1 1 345.443 0.370 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@@H+](CC(=O)NC3CC3)C2)O1 ZINC001071166051 784640542 /nfs/dbraw/zinc/64/05/42/784640542.db2.gz BFMQAJNCCFCZDC-AUUYWEPGSA-N 1 1 345.443 0.370 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@@H](C)O2 ZINC001071168677 784646958 /nfs/dbraw/zinc/64/69/58/784646958.db2.gz GBOJGOHXXZKVBG-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nnn1CC)C[C@H](C)O2 ZINC001071175572 784663997 /nfs/dbraw/zinc/66/39/97/784663997.db2.gz GXDNJEHWTDYZSU-KSSFIOAISA-N 1 1 345.447 0.935 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3n[nH]nc3c1)C[C@@H](C)O2 ZINC001071175508 784664041 /nfs/dbraw/zinc/66/40/41/784664041.db2.gz FVBPPVPCLXSDKZ-SJKOYZFVSA-N 1 1 340.387 0.292 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)C[C@H](C)O2 ZINC001071176488 784666040 /nfs/dbraw/zinc/66/60/40/784666040.db2.gz WJRDQEPHCTVSQW-KSSFIOAISA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc3n[nH]nc31)C[C@@H](C)O2 ZINC001071189261 784693952 /nfs/dbraw/zinc/69/39/52/784693952.db2.gz IOFYKXCZHGUIQM-SJKOYZFVSA-N 1 1 340.387 0.292 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc3n[nH]nc31)C[C@@H](C)O2 ZINC001071189261 784693959 /nfs/dbraw/zinc/69/39/59/784693959.db2.gz IOFYKXCZHGUIQM-SJKOYZFVSA-N 1 1 340.387 0.292 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@H](C)O2 ZINC001071189849 784695701 /nfs/dbraw/zinc/69/57/01/784695701.db2.gz QDCZPKYRGXQTCP-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)n1C)C[C@@H](C)O2 ZINC001071199625 784720895 /nfs/dbraw/zinc/72/08/95/784720895.db2.gz NWOWJEBLZMNVQD-CXAGYDPISA-N 1 1 332.404 0.454 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@@H](C)O2 ZINC001071201723 784723194 /nfs/dbraw/zinc/72/31/94/784723194.db2.gz JJNWPRJLDYRCGQ-CXAGYDPISA-N 1 1 330.388 0.099 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cc1OC)C[C@@H](C)O2 ZINC001071211836 784747573 /nfs/dbraw/zinc/74/75/73/784747573.db2.gz OOBARHATGODVPT-FZKQIMNGSA-N 1 1 345.399 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccnc(OC)c1)C[C@@H](C)O2 ZINC001071214626 784752502 /nfs/dbraw/zinc/75/25/02/784752502.db2.gz XVHUJRVCCKICEU-DNVCBOLYSA-N 1 1 343.427 0.958 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(COC)on1)C[C@@H](C)O2 ZINC001071219270 784764817 /nfs/dbraw/zinc/76/48/17/784764817.db2.gz UPEQNDSTZWMQRW-DYVFJYSZSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(COC)on1)C[C@@H](C)O2 ZINC001071219270 784764826 /nfs/dbraw/zinc/76/48/26/784764826.db2.gz UPEQNDSTZWMQRW-DYVFJYSZSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CCC=C)nn1)C[C@@H](C)O2 ZINC001071219668 784765482 /nfs/dbraw/zinc/76/54/82/784765482.db2.gz WVDKOLUBHUVWAI-CRAIPNDOSA-N 1 1 343.431 0.793 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CCC=C)nn1)C[C@@H](C)O2 ZINC001071219668 784765488 /nfs/dbraw/zinc/76/54/88/784765488.db2.gz WVDKOLUBHUVWAI-CRAIPNDOSA-N 1 1 343.431 0.793 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@@H](C)O2 ZINC001071227703 784786716 /nfs/dbraw/zinc/78/67/16/784786716.db2.gz ITGNWOFGSCHBPN-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@H](C)O2 ZINC001071229828 784790897 /nfs/dbraw/zinc/79/08/97/784790897.db2.gz AQSPUHUTIAMXOJ-KXBFYZLASA-N 1 1 343.427 0.714 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@@H](C)O2 ZINC001071230086 784792173 /nfs/dbraw/zinc/79/21/73/784792173.db2.gz FHRDXZWATKXKPJ-DYVFJYSZSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@@H](C)O2 ZINC001071230086 784792180 /nfs/dbraw/zinc/79/21/80/784792180.db2.gz FHRDXZWATKXKPJ-DYVFJYSZSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(CCOC)c1)C[C@H](C)O2 ZINC001071233615 784798779 /nfs/dbraw/zinc/79/87/79/784798779.db2.gz LTYGMNYVCGCXDZ-YJBOKZPZSA-N 1 1 346.431 0.468 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(CCOC)c1)C[C@H](C)O2 ZINC001071233615 784798785 /nfs/dbraw/zinc/79/87/85/784798785.db2.gz LTYGMNYVCGCXDZ-YJBOKZPZSA-N 1 1 346.431 0.468 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CCN(C(N)=O)CC1)C[C@H](C)O2 ZINC001071237786 784805457 /nfs/dbraw/zinc/80/54/57/784805457.db2.gz CQYLMASDYJICNN-KSSFIOAISA-N 1 1 348.447 0.102 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(=O)Nc1cc(C)on1)C[C@H](C)O2 ZINC001071237646 784805589 /nfs/dbraw/zinc/80/55/89/784805589.db2.gz AXFQSBXEODBMDE-GUYCJALGSA-N 1 1 346.387 0.247 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@H](C)O2 ZINC001071239226 784810401 /nfs/dbraw/zinc/81/04/01/784810401.db2.gz YJAQRIYNSWURCQ-KSSFIOAISA-N 1 1 344.415 0.109 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)C[C@H](C)O2 ZINC001071241079 784815220 /nfs/dbraw/zinc/81/52/20/784815220.db2.gz OQKXFIMSGBXJGD-SCLBCKFNSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@H](C)O2 ZINC001071241707 784817802 /nfs/dbraw/zinc/81/78/02/784817802.db2.gz ZJNXKVYZTGLMAQ-QFBILLFUSA-N 1 1 343.427 0.563 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071244538 784823726 /nfs/dbraw/zinc/82/37/26/784823726.db2.gz WQYLUMNFNPLVQZ-ACJLOTCBSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071244538 784823729 /nfs/dbraw/zinc/82/37/29/784823729.db2.gz WQYLUMNFNPLVQZ-ACJLOTCBSA-N 1 1 342.399 0.119 20 30 ECEDMO C=C(C)CC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)C(=O)C1 ZINC001071268061 784895323 /nfs/dbraw/zinc/89/53/23/784895323.db2.gz WGRSWSDCTNMTOJ-CQSZACIVSA-N 1 1 346.435 0.520 20 30 ECEDMO C=C(C)CC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)C(=O)C1 ZINC001071268061 784895332 /nfs/dbraw/zinc/89/53/32/784895332.db2.gz WGRSWSDCTNMTOJ-CQSZACIVSA-N 1 1 346.435 0.520 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C(N)=O)CC[C@@H]2C)cc1C#N ZINC001071779104 785093633 /nfs/dbraw/zinc/09/36/33/785093633.db2.gz FIKIBGPJRJQEPM-FZMZJTMJSA-N 1 1 330.388 0.521 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)C(N)=O)CC[C@@H]2C)cc1C#N ZINC001071779104 785093644 /nfs/dbraw/zinc/09/36/44/785093644.db2.gz FIKIBGPJRJQEPM-FZMZJTMJSA-N 1 1 330.388 0.521 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](C)C1 ZINC001071812387 785142648 /nfs/dbraw/zinc/14/26/48/785142648.db2.gz RSASWEJRXRKXKR-KBPBESRZSA-N 1 1 325.453 0.882 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C ZINC001071861462 785235297 /nfs/dbraw/zinc/23/52/97/785235297.db2.gz PRJOTJWBTZRTMS-ZIAGYGMSSA-N 1 1 348.447 0.633 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C ZINC001071548242 785283584 /nfs/dbraw/zinc/28/35/84/785283584.db2.gz CIGYXMUJEPKARE-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC[C@H]1C ZINC001071930387 785354596 /nfs/dbraw/zinc/35/45/96/785354596.db2.gz DHRNVHDEGNUTBN-GDBMZVCRSA-N 1 1 330.432 0.853 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC[C@@H]1C ZINC001071610283 785392612 /nfs/dbraw/zinc/39/26/12/785392612.db2.gz RPWHDHZBHBCABV-DZGCQCFKSA-N 1 1 328.416 0.715 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@H]1C ZINC001071966234 785432584 /nfs/dbraw/zinc/43/25/84/785432584.db2.gz CVMYYPJRWDSZDL-HUUCEWRRSA-N 1 1 347.463 0.926 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1C ZINC001071646202 785441441 /nfs/dbraw/zinc/44/14/41/785441441.db2.gz UBKSKXKVUNFZOT-WDEREUQCSA-N 1 1 327.406 0.696 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2sccc2-n2cnnn2)CC[C@H]1C ZINC001071645955 785441846 /nfs/dbraw/zinc/44/18/46/785441846.db2.gz PJVRBRCJJRPBPP-NEPJUHHUSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2-n2cnnn2)CC[C@H]1C ZINC001071645955 785441851 /nfs/dbraw/zinc/44/18/51/785441851.db2.gz PJVRBRCJJRPBPP-NEPJUHHUSA-N 1 1 330.417 0.940 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071658460 785464635 /nfs/dbraw/zinc/46/46/35/785464635.db2.gz NLSHCDTVMPPZGJ-OLZOCXBDSA-N 1 1 326.466 0.546 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071660900 785469109 /nfs/dbraw/zinc/46/91/09/785469109.db2.gz CPLLNRYQLLAANR-OLZOCXBDSA-N 1 1 326.466 0.548 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C ZINC001071685670 785519571 /nfs/dbraw/zinc/51/95/71/785519571.db2.gz GBQACNLMLLSYAU-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C ZINC001071686242 785519711 /nfs/dbraw/zinc/51/97/11/785519711.db2.gz PWUIAPPCKVNRMN-LSDHHAIUSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)CC[C@H]1C ZINC001072030455 785552123 /nfs/dbraw/zinc/55/21/23/785552123.db2.gz PTDOXIYMDINZSX-NEPJUHHUSA-N 1 1 325.372 0.946 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)CC[C@H]1C ZINC001072030455 785552127 /nfs/dbraw/zinc/55/21/27/785552127.db2.gz PTDOXIYMDINZSX-NEPJUHHUSA-N 1 1 325.372 0.946 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001072035158 785558147 /nfs/dbraw/zinc/55/81/47/785558147.db2.gz IFAZHLDTZQKKKO-JKSUJKDBSA-N 1 1 335.448 0.331 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001072048215 785571740 /nfs/dbraw/zinc/57/17/40/785571740.db2.gz JGCSNRVNCNDQTD-ZBFHGGJFSA-N 1 1 333.432 0.085 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@H]1C ZINC001071724970 785594311 /nfs/dbraw/zinc/59/43/11/785594311.db2.gz OHUVXDXCAXPOBL-YPMHNXCESA-N 1 1 342.407 0.300 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@H]1C ZINC001071724970 785594318 /nfs/dbraw/zinc/59/43/18/785594318.db2.gz OHUVXDXCAXPOBL-YPMHNXCESA-N 1 1 342.407 0.300 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)nn1 ZINC001072287262 785984341 /nfs/dbraw/zinc/98/43/41/785984341.db2.gz URBSBRBXAPVMIQ-KGLIPLIRSA-N 1 1 348.451 0.381 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CC[N@H+](C)CC)C2)cn1 ZINC001072467380 786225231 /nfs/dbraw/zinc/22/52/31/786225231.db2.gz GZBOWUDYMWWMJG-PBHICJAKSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C)cn1 ZINC001072479277 786247022 /nfs/dbraw/zinc/24/70/22/786247022.db2.gz VCEWVIAHRUVLER-PBHICJAKSA-N 1 1 342.443 0.981 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSCC#N)C1 ZINC001072479390 786248363 /nfs/dbraw/zinc/24/83/63/786248363.db2.gz WOTNFJSNHSHLFG-OLZOCXBDSA-N 1 1 326.466 0.548 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CCc1nnn(C(C)(C)C)n1)C2 ZINC001072551369 786355215 /nfs/dbraw/zinc/35/52/15/786355215.db2.gz FGFMMRQAEZNEOM-ZDUSSCGKSA-N 1 1 345.451 0.665 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC3(CN(C(=O)CC(N)=O)C3)C2)ccc1F ZINC001072565278 786372821 /nfs/dbraw/zinc/37/28/21/786372821.db2.gz QXPZMLWIRIDIMU-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC3(CN(C(=O)CC(N)=O)C3)C2)ccc1F ZINC001072565278 786372826 /nfs/dbraw/zinc/37/28/26/786372826.db2.gz QXPZMLWIRIDIMU-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 ZINC001074285215 786594000 /nfs/dbraw/zinc/59/40/00/786594000.db2.gz XELCSXVNTWPYML-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 ZINC001074285215 786594003 /nfs/dbraw/zinc/59/40/03/786594003.db2.gz XELCSXVNTWPYML-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 ZINC001074292316 786608930 /nfs/dbraw/zinc/60/89/30/786608930.db2.gz SWANWZWPBGTUBJ-CABCVRRESA-N 1 1 349.431 0.403 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 ZINC001074292316 786608937 /nfs/dbraw/zinc/60/89/37/786608937.db2.gz SWANWZWPBGTUBJ-CABCVRRESA-N 1 1 349.431 0.403 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@H]21 ZINC001074294441 786615323 /nfs/dbraw/zinc/61/53/23/786615323.db2.gz NLBFHXJXQRTRFY-KGLIPLIRSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@H]21 ZINC001074294441 786615329 /nfs/dbraw/zinc/61/53/29/786615329.db2.gz NLBFHXJXQRTRFY-KGLIPLIRSA-N 1 1 342.403 0.844 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCN(C2CN(C(=O)C#CC(C)C)C2)CC1 ZINC001073584978 786691547 /nfs/dbraw/zinc/69/15/47/786691547.db2.gz QUOGBNFLXCXHMR-UHFFFAOYSA-N 1 1 348.491 0.343 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001073604117 786756798 /nfs/dbraw/zinc/75/67/98/786756798.db2.gz XROCBIHQRGQOOF-AWEZNQCLSA-N 1 1 331.420 0.387 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001073608384 786764120 /nfs/dbraw/zinc/76/41/20/786764120.db2.gz QBJCFYMIEBHDDJ-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001073608384 786764125 /nfs/dbraw/zinc/76/41/25/786764125.db2.gz QBJCFYMIEBHDDJ-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc(C)nc2OC)C1 ZINC001073629434 786809356 /nfs/dbraw/zinc/80/93/56/786809356.db2.gz BQVHITWXVOPORU-CQSZACIVSA-N 1 1 332.404 0.638 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(C)nc2OC)C1 ZINC001073629434 786809365 /nfs/dbraw/zinc/80/93/65/786809365.db2.gz BQVHITWXVOPORU-CQSZACIVSA-N 1 1 332.404 0.638 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(C)nc2OC)C1 ZINC001073629450 786809554 /nfs/dbraw/zinc/80/95/54/786809554.db2.gz BXCGNMLNJOPTAS-CQSZACIVSA-N 1 1 332.404 0.638 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001073632074 786822175 /nfs/dbraw/zinc/82/21/75/786822175.db2.gz XHNBEJXJXQCLGO-LBPRGKRZSA-N 1 1 328.376 0.197 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001073632074 786822187 /nfs/dbraw/zinc/82/21/87/786822187.db2.gz XHNBEJXJXQCLGO-LBPRGKRZSA-N 1 1 328.376 0.197 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001073634582 786829972 /nfs/dbraw/zinc/82/99/72/786829972.db2.gz TWZBUBUJJSAPJQ-GOEBONIOSA-N 1 1 328.416 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001073634582 786829984 /nfs/dbraw/zinc/82/99/84/786829984.db2.gz TWZBUBUJJSAPJQ-GOEBONIOSA-N 1 1 328.416 0.422 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001073645669 786861441 /nfs/dbraw/zinc/86/14/41/786861441.db2.gz UVPNYXRYXZCWNI-AWEZNQCLSA-N 1 1 332.404 0.257 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnn2CCOC)C1 ZINC001073652278 786877343 /nfs/dbraw/zinc/87/73/43/786877343.db2.gz VHAMLCSNZUDWGA-OAHLLOKOSA-N 1 1 334.420 0.374 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001073657902 786895020 /nfs/dbraw/zinc/89/50/20/786895020.db2.gz RDUYQHLEGFAQFN-ZDUSSCGKSA-N 1 1 327.388 0.802 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001073660855 786903703 /nfs/dbraw/zinc/90/37/03/786903703.db2.gz QGLWNCIJFSYVTF-LSDHHAIUSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001073660855 786903711 /nfs/dbraw/zinc/90/37/11/786903711.db2.gz QGLWNCIJFSYVTF-LSDHHAIUSA-N 1 1 330.432 0.919 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001073667468 786917839 /nfs/dbraw/zinc/91/78/39/786917839.db2.gz HAEUZFRSLFMKQT-CVEARBPZSA-N 1 1 330.432 0.676 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001073667839 786919531 /nfs/dbraw/zinc/91/95/31/786919531.db2.gz PHORSBDYGPBXTC-MRXNPFEDSA-N 1 1 341.415 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001073669885 786923315 /nfs/dbraw/zinc/92/33/15/786923315.db2.gz AIWUYEIXRDRKRT-CYBMUJFWSA-N 1 1 343.387 0.508 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2csc(NC(C)=O)n2)C1 ZINC001073672801 786934532 /nfs/dbraw/zinc/93/45/32/786934532.db2.gz POEPICRAUUTALC-GFCCVEGCSA-N 1 1 336.417 0.555 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2csc(NC(C)=O)n2)C1 ZINC001073672801 786934537 /nfs/dbraw/zinc/93/45/37/786934537.db2.gz POEPICRAUUTALC-GFCCVEGCSA-N 1 1 336.417 0.555 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001073691473 786978502 /nfs/dbraw/zinc/97/85/02/786978502.db2.gz VTHKDVYJALEURP-OAHLLOKOSA-N 1 1 336.436 0.926 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001073696968 786991447 /nfs/dbraw/zinc/99/14/47/786991447.db2.gz VHFVJLALCIIUJB-AWEZNQCLSA-N 1 1 342.403 0.207 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001073703794 787009512 /nfs/dbraw/zinc/00/95/12/787009512.db2.gz YBIQTFCILXSABS-ZDUSSCGKSA-N 1 1 345.399 0.410 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001073703794 787009521 /nfs/dbraw/zinc/00/95/21/787009521.db2.gz YBIQTFCILXSABS-ZDUSSCGKSA-N 1 1 345.399 0.410 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001073709969 787019745 /nfs/dbraw/zinc/01/97/45/787019745.db2.gz NAQCOMJNADAHET-CYBMUJFWSA-N 1 1 341.415 0.974 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001073709969 787019756 /nfs/dbraw/zinc/01/97/56/787019756.db2.gz NAQCOMJNADAHET-CYBMUJFWSA-N 1 1 341.415 0.974 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001073712903 787026764 /nfs/dbraw/zinc/02/67/64/787026764.db2.gz OTTUIMNOLVHBQD-AWEZNQCLSA-N 1 1 343.387 0.529 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001073712903 787026772 /nfs/dbraw/zinc/02/67/72/787026772.db2.gz OTTUIMNOLVHBQD-AWEZNQCLSA-N 1 1 343.387 0.529 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001073713378 787030935 /nfs/dbraw/zinc/03/09/35/787030935.db2.gz ZWMSMYKQQSYPEX-LUKYLMHMSA-N 1 1 338.448 0.821 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001073740236 787092627 /nfs/dbraw/zinc/09/26/27/787092627.db2.gz COOFXNQZGJNSDA-RDJZCZTQSA-N 1 1 344.459 0.755 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001073746013 787111264 /nfs/dbraw/zinc/11/12/64/787111264.db2.gz MQNUBJSJZYGAFP-NVXWUHKLSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001073746013 787111267 /nfs/dbraw/zinc/11/12/67/787111267.db2.gz MQNUBJSJZYGAFP-NVXWUHKLSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001073745918 787111916 /nfs/dbraw/zinc/11/19/16/787111916.db2.gz KYERSCYCXSNLPH-LLVKDONJSA-N 1 1 329.360 0.117 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001073745918 787111918 /nfs/dbraw/zinc/11/19/18/787111918.db2.gz KYERSCYCXSNLPH-LLVKDONJSA-N 1 1 329.360 0.117 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)CC1 ZINC001073755504 787134981 /nfs/dbraw/zinc/13/49/81/787134981.db2.gz AVBRYHTXBJBUOT-CVEARBPZSA-N 1 1 335.448 0.828 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)CC1 ZINC001073755504 787134987 /nfs/dbraw/zinc/13/49/87/787134987.db2.gz AVBRYHTXBJBUOT-CVEARBPZSA-N 1 1 335.448 0.828 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001073764627 787157531 /nfs/dbraw/zinc/15/75/31/787157531.db2.gz IXQCICWISFQTCX-NVXWUHKLSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001073764627 787157533 /nfs/dbraw/zinc/15/75/33/787157533.db2.gz IXQCICWISFQTCX-NVXWUHKLSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001073766713 787162920 /nfs/dbraw/zinc/16/29/20/787162920.db2.gz MULMHJWXAATOQB-OAHLLOKOSA-N 1 1 343.431 0.531 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001073766713 787162931 /nfs/dbraw/zinc/16/29/31/787162931.db2.gz MULMHJWXAATOQB-OAHLLOKOSA-N 1 1 343.431 0.531 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001073772773 787175006 /nfs/dbraw/zinc/17/50/06/787175006.db2.gz XWEXCKNMUGCATE-ZDUSSCGKSA-N 1 1 333.388 0.640 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001073794180 787211687 /nfs/dbraw/zinc/21/16/87/787211687.db2.gz BLSRTBMQNYAOPX-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001073809853 787241084 /nfs/dbraw/zinc/24/10/84/787241084.db2.gz BGIWCGUWEIHCLM-NSHDSACASA-N 1 1 346.416 0.382 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001073809853 787241087 /nfs/dbraw/zinc/24/10/87/787241087.db2.gz BGIWCGUWEIHCLM-NSHDSACASA-N 1 1 346.416 0.382 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001073819742 787262792 /nfs/dbraw/zinc/26/27/92/787262792.db2.gz IOYWQKKMEBAYKQ-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001074565419 787271435 /nfs/dbraw/zinc/27/14/35/787271435.db2.gz GZPSIGZKAINGTA-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001073824342 787276186 /nfs/dbraw/zinc/27/61/86/787276186.db2.gz QVIGUZJYRYTIEC-CQSZACIVSA-N 1 1 344.419 0.911 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001073832793 787304990 /nfs/dbraw/zinc/30/49/90/787304990.db2.gz SZKVXNMJDXVDFK-INIZCTEOSA-N 1 1 341.415 0.812 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001074579428 787309722 /nfs/dbraw/zinc/30/97/22/787309722.db2.gz GQSFQEBKLKMUQH-UHFFFAOYSA-N 1 1 349.475 0.600 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CNC(=O)C#CC(C)(C)C)CC2)C1 ZINC001074593155 787347707 /nfs/dbraw/zinc/34/77/07/787347707.db2.gz IUSHHZDTLDOELS-HNNXBMFYSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(C)c2C(F)F)C1 ZINC001073850369 787358619 /nfs/dbraw/zinc/35/86/19/787358619.db2.gz ATAVFEQAEJIXKW-LLVKDONJSA-N 1 1 326.347 0.812 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(C)c2C(F)F)C1 ZINC001073850369 787358632 /nfs/dbraw/zinc/35/86/32/787358632.db2.gz ATAVFEQAEJIXKW-LLVKDONJSA-N 1 1 326.347 0.812 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001073850741 787360107 /nfs/dbraw/zinc/36/01/07/787360107.db2.gz KBFDMVQRTUVNIS-AWEZNQCLSA-N 1 1 344.419 0.817 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 ZINC001073862070 787389724 /nfs/dbraw/zinc/38/97/24/787389724.db2.gz LYRTVKIJVDHHGZ-CQSZACIVSA-N 1 1 333.436 0.939 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001073890853 787450419 /nfs/dbraw/zinc/45/04/19/787450419.db2.gz IWYPFEBXMKCAHG-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001073896238 787464642 /nfs/dbraw/zinc/46/46/42/787464642.db2.gz NTTVGEYFOSTCCA-HUUCEWRRSA-N 1 1 344.477 0.737 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001073896508 787466690 /nfs/dbraw/zinc/46/66/90/787466690.db2.gz UHGRVZFMQVLOJU-GOSISDBHSA-N 1 1 343.427 0.777 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001073896508 787466693 /nfs/dbraw/zinc/46/66/93/787466693.db2.gz UHGRVZFMQVLOJU-GOSISDBHSA-N 1 1 343.427 0.777 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001073899513 787475592 /nfs/dbraw/zinc/47/55/92/787475592.db2.gz VWWOSKVYEVTLOP-HOTGVXAUSA-N 1 1 345.447 0.379 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001073902257 787484640 /nfs/dbraw/zinc/48/46/40/787484640.db2.gz ZMQRRSFWTMKJOU-ZIAGYGMSSA-N 1 1 347.381 0.853 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001073902257 787484645 /nfs/dbraw/zinc/48/46/45/787484645.db2.gz ZMQRRSFWTMKJOU-ZIAGYGMSSA-N 1 1 347.381 0.853 20 30 ECEDMO C=CCCCC(=O)N1CCC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001074698944 787632109 /nfs/dbraw/zinc/63/21/09/787632109.db2.gz MTSINBZBEOUXFM-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001074731142 787720725 /nfs/dbraw/zinc/72/07/25/787720725.db2.gz IKQVBCKATWBINB-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074731157 787721053 /nfs/dbraw/zinc/72/10/53/787721053.db2.gz ITRYRGUYJGEPQM-ZBFHGGJFSA-N 1 1 347.459 0.067 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072595422 788390608 /nfs/dbraw/zinc/39/06/08/788390608.db2.gz SEDHUXCWGDXZCW-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072639859 788484717 /nfs/dbraw/zinc/48/47/17/788484717.db2.gz UKSZGJONPAZNQY-UHFFFAOYSA-N 1 1 325.376 0.363 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072639859 788484724 /nfs/dbraw/zinc/48/47/24/788484724.db2.gz UKSZGJONPAZNQY-UHFFFAOYSA-N 1 1 325.376 0.363 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001074891805 788498701 /nfs/dbraw/zinc/49/87/01/788498701.db2.gz LFZZSMZCBNPZEM-DZGCQCFKSA-N 1 1 334.420 0.890 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4COC(=O)N4)C3)C2)s1 ZINC001072686821 788593247 /nfs/dbraw/zinc/59/32/47/788593247.db2.gz XUTUAJMBBFHBKK-CYBMUJFWSA-N 1 1 346.412 0.762 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C)nc1 ZINC001072741444 788686357 /nfs/dbraw/zinc/68/63/57/788686357.db2.gz DMZGELBJVXOUSC-YOEHRIQHSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001072762075 788743248 /nfs/dbraw/zinc/74/32/48/788743248.db2.gz PETCNFQBIBPMQG-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C#CC1CC1 ZINC001075067282 788843106 /nfs/dbraw/zinc/84/31/06/788843106.db2.gz NHBFPHNDFJNNGV-NVXWUHKLSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001075070522 788848860 /nfs/dbraw/zinc/84/88/60/788848860.db2.gz YVGBEQYNZDUHPR-ZBFHGGJFSA-N 1 1 346.431 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1ccon1)C2 ZINC001072822353 788889814 /nfs/dbraw/zinc/88/98/14/788889814.db2.gz CLOSKYMURZRDAU-INIZCTEOSA-N 1 1 328.416 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1ccon1)C2 ZINC001072822353 788889827 /nfs/dbraw/zinc/88/98/27/788889827.db2.gz CLOSKYMURZRDAU-INIZCTEOSA-N 1 1 328.416 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1nc(C)no1)C2 ZINC001072822381 788889944 /nfs/dbraw/zinc/88/99/44/788889944.db2.gz DSXUKNMCSBZTOQ-HNNXBMFYSA-N 1 1 343.431 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1nc(C)no1)C2 ZINC001072822381 788889956 /nfs/dbraw/zinc/88/99/56/788889956.db2.gz DSXUKNMCSBZTOQ-HNNXBMFYSA-N 1 1 343.431 0.510 20 30 ECEDMO C=C(Cl)CN1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849613 788955191 /nfs/dbraw/zinc/95/51/91/788955191.db2.gz IXIHBCZUECFVHP-ZIAGYGMSSA-N 1 1 327.856 0.992 20 30 ECEDMO C=C(Cl)CN1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849613 788955193 /nfs/dbraw/zinc/95/51/93/788955193.db2.gz IXIHBCZUECFVHP-ZIAGYGMSSA-N 1 1 327.856 0.992 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC001072854459 788967955 /nfs/dbraw/zinc/96/79/55/788967955.db2.gz ODKGXIWWMJFUGL-UHFFFAOYSA-N 1 1 328.416 0.833 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)c3coc(S(N)(=O)=O)c3)C2)C1 ZINC001072861871 788982811 /nfs/dbraw/zinc/98/28/11/788982811.db2.gz BXSFBUONVSXUGN-UHFFFAOYSA-N 1 1 339.417 0.651 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC001072881062 789013397 /nfs/dbraw/zinc/01/33/97/789013397.db2.gz CRCLNXZDVMRCPY-CQSZACIVSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC001072881062 789013407 /nfs/dbraw/zinc/01/34/07/789013407.db2.gz CRCLNXZDVMRCPY-CQSZACIVSA-N 1 1 327.856 0.994 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC1(C)CCN(C(=O)CSCC#N)CC1 ZINC001072887186 789031005 /nfs/dbraw/zinc/03/10/05/789031005.db2.gz UKJCCXUREPYFIX-ZDUSSCGKSA-N 1 1 338.477 0.835 20 30 ECEDMO C=CC[N@@H+]1CCC2(CN(C(=O)c3ccc(=O)n(CCOC)c3)C2)C1 ZINC001072894400 789052485 /nfs/dbraw/zinc/05/24/85/789052485.db2.gz OUAXJGSUCZSFKW-UHFFFAOYSA-N 1 1 331.416 0.829 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC001073000920 789258931 /nfs/dbraw/zinc/25/89/31/789258931.db2.gz LUKYPGBLJNFDNE-AWEZNQCLSA-N 1 1 330.436 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)CC1 ZINC001075456795 789379483 /nfs/dbraw/zinc/37/94/83/789379483.db2.gz BPEPYSKUOLQQPB-ZBFHGGJFSA-N 1 1 332.448 0.642 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)C1 ZINC001073090002 789426124 /nfs/dbraw/zinc/42/61/24/789426124.db2.gz ZAMSKPKGVREEPH-HNNXBMFYSA-N 1 1 343.431 0.486 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H](C)OC)CC1 ZINC001073121995 789477214 /nfs/dbraw/zinc/47/72/14/789477214.db2.gz SHMZQWUGFAGCLG-CABCVRRESA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H](C)OC)CC1 ZINC001073121995 789477220 /nfs/dbraw/zinc/47/72/20/789477220.db2.gz SHMZQWUGFAGCLG-CABCVRRESA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC001073124393 789480663 /nfs/dbraw/zinc/48/06/63/789480663.db2.gz LBSFHWFFFMAEBJ-UHFFFAOYSA-N 1 1 325.372 0.606 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC001073124688 789480927 /nfs/dbraw/zinc/48/09/27/789480927.db2.gz YTLZRPDKROYFCC-UHFFFAOYSA-N 1 1 342.403 0.532 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4cccn4)[C@@H]3C2)C1=O ZINC001075547765 789482666 /nfs/dbraw/zinc/48/26/66/789482666.db2.gz ZAXZNDVZFPRXAL-ARFHVFGLSA-N 1 1 343.431 0.203 20 30 ECEDMO CC(C)C#CC(=O)NC1(C)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001073155717 789542489 /nfs/dbraw/zinc/54/24/89/789542489.db2.gz PWVYPCKQYHULDN-UHFFFAOYSA-N 1 1 349.475 0.865 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CCc3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001075616119 789574544 /nfs/dbraw/zinc/57/45/44/789574544.db2.gz KCIBMZUZRYOCJQ-MELADBBJSA-N 1 1 345.451 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCn1cccn1 ZINC001075662569 789631050 /nfs/dbraw/zinc/63/10/50/789631050.db2.gz OUDDCFZWBVZBSO-HOTGVXAUSA-N 1 1 345.447 0.382 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCn1cccn1 ZINC001075662569 789631054 /nfs/dbraw/zinc/63/10/54/789631054.db2.gz OUDDCFZWBVZBSO-HOTGVXAUSA-N 1 1 345.447 0.382 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC001073425694 789822212 /nfs/dbraw/zinc/82/22/12/789822212.db2.gz FATBIWGIRQZZBA-UHFFFAOYSA-N 1 1 326.404 0.777 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069548109 789892627 /nfs/dbraw/zinc/89/26/27/789892627.db2.gz OMFNVDDBOUIKDS-QWHCGFSZSA-N 1 1 328.420 0.513 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC(Nc3cncc(C#N)n3)C2)C1 ZINC001069746210 790005038 /nfs/dbraw/zinc/00/50/38/790005038.db2.gz IQJPIALTNKRDGN-ZALBZXLWSA-N 1 1 344.419 0.470 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC(Nc3cncc(C#N)n3)C2)C1 ZINC001069746210 790005043 /nfs/dbraw/zinc/00/50/43/790005043.db2.gz IQJPIALTNKRDGN-ZALBZXLWSA-N 1 1 344.419 0.470 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 ZINC001069814713 790048594 /nfs/dbraw/zinc/04/85/94/790048594.db2.gz AYEOCWFBIQPTQD-HNNXBMFYSA-N 1 1 326.404 0.695 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 ZINC001069831154 790064497 /nfs/dbraw/zinc/06/44/97/790064497.db2.gz WWYXWXLAIARJPM-XJKSGUPXSA-N 1 1 340.431 0.799 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2=CCN(c3ccc(C#N)nn3)CC2)CC[N@H+]1C ZINC001069833620 790065120 /nfs/dbraw/zinc/06/51/20/790065120.db2.gz BNLPZDXJEKZIRJ-CZUORRHYSA-N 1 1 340.431 0.941 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CCN(c2cccc(CNC(=O)c3ncn[nH]3)n2)C1 ZINC001069839988 790073451 /nfs/dbraw/zinc/07/34/51/790073451.db2.gz NMTZVVRRVJUFDM-CQSZACIVSA-N 1 1 341.419 0.874 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CCN(c2cccc(CNC(=O)c3nc[nH]n3)n2)C1 ZINC001069839988 790073456 /nfs/dbraw/zinc/07/34/56/790073456.db2.gz NMTZVVRRVJUFDM-CQSZACIVSA-N 1 1 341.419 0.874 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)c2C1 ZINC001069877294 790139380 /nfs/dbraw/zinc/13/93/80/790139380.db2.gz ODYRBGAOANNOSJ-JKSUJKDBSA-N 1 1 342.447 0.855 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)n2C)[C@@H](n2ccnn2)C1 ZINC001069893960 790162305 /nfs/dbraw/zinc/16/23/05/790162305.db2.gz YTHJQRQALCKEPN-ZBFHGGJFSA-N 1 1 326.404 0.604 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2C)[C@@H](n2ccnn2)C1 ZINC001069900865 790169249 /nfs/dbraw/zinc/16/92/49/790169249.db2.gz ZHQCJDKSGHJGPV-HIFRSBDPSA-N 1 1 329.408 0.551 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069916330 790185918 /nfs/dbraw/zinc/18/59/18/790185918.db2.gz QZOFBTNZNFGTPA-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924828 790195537 /nfs/dbraw/zinc/19/55/37/790195537.db2.gz HPQADUOAUZHHJS-ZACQAIPSSA-N 1 1 344.463 0.516 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=C)C)C[C@@H]1n1ccnn1 ZINC001069949230 790228937 /nfs/dbraw/zinc/22/89/37/790228937.db2.gz LNQALSAREWFCJH-IKGGRYGDSA-N 1 1 342.447 0.293 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=C)C)C[C@@H]1n1ccnn1 ZINC001069949230 790228940 /nfs/dbraw/zinc/22/89/40/790228940.db2.gz LNQALSAREWFCJH-IKGGRYGDSA-N 1 1 342.447 0.293 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](n2ccnn2)C1 ZINC001069952468 790233847 /nfs/dbraw/zinc/23/38/47/790233847.db2.gz NDBRMTSGCXISNP-CVEARBPZSA-N 1 1 343.435 0.805 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069960364 790243042 /nfs/dbraw/zinc/24/30/42/790243042.db2.gz TVHZSVJRWHRXLG-CABCVRRESA-N 1 1 326.404 0.902 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccn3nccc23)[C@@H](n2ccnn2)C1 ZINC001069969119 790257780 /nfs/dbraw/zinc/25/77/80/790257780.db2.gz CBGUITPHSKIBST-WBVHZDCISA-N 1 1 349.398 0.604 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001068837376 791232278 /nfs/dbraw/zinc/23/22/78/791232278.db2.gz YKDMWZUNXDAZDX-OAHLLOKOSA-N 1 1 335.448 0.618 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001068859813 791282841 /nfs/dbraw/zinc/28/28/41/791282841.db2.gz WHDPKEHOBZTMED-HZPDHXFCSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068871334 791314207 /nfs/dbraw/zinc/31/42/07/791314207.db2.gz QTXOFKLHOGBVLD-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001068873292 791316926 /nfs/dbraw/zinc/31/69/26/791316926.db2.gz BQGVYKBLWYAMNM-GJZGRUSLSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885422 791342399 /nfs/dbraw/zinc/34/23/99/791342399.db2.gz VYSFOISGRUQHSU-OWCLPIDISA-N 1 1 347.459 0.616 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068944641 791479157 /nfs/dbraw/zinc/47/91/57/791479157.db2.gz JXJXSWFLEAXXJE-KGLIPLIRSA-N 1 1 335.448 0.779 20 30 ECEDMO C[C@@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119037 791720144 /nfs/dbraw/zinc/72/01/44/791720144.db2.gz MYXALDFSRKZBDP-KGLIPLIRSA-N 1 1 344.419 0.472 20 30 ECEDMO CO[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066698929 792020478 /nfs/dbraw/zinc/02/04/78/792020478.db2.gz PONCMNSTWPXZSD-HOCLYGCPSA-N 1 1 343.431 0.711 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066735944 792069223 /nfs/dbraw/zinc/06/92/23/792069223.db2.gz ARPCPUVLQWHUTK-YOEHRIQHSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066735944 792069235 /nfs/dbraw/zinc/06/92/35/792069235.db2.gz ARPCPUVLQWHUTK-YOEHRIQHSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066736153 792069984 /nfs/dbraw/zinc/06/99/84/792069984.db2.gz GOCZHLKORLCHHW-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066736153 792069994 /nfs/dbraw/zinc/06/99/94/792069994.db2.gz GOCZHLKORLCHHW-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)CC2)C1 ZINC001066737145 792073037 /nfs/dbraw/zinc/07/30/37/792073037.db2.gz ZXDMFKCZQWOPRB-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)CC2)C1 ZINC001066737145 792073052 /nfs/dbraw/zinc/07/30/52/792073052.db2.gz ZXDMFKCZQWOPRB-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1cnc(C#N)cn1 ZINC001067762494 792245072 /nfs/dbraw/zinc/24/50/72/792245072.db2.gz BVYCKRPSUOERQC-DZGCQCFKSA-N 1 1 328.420 0.727 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccc(C#N)cn3)C2)C1 ZINC001067852722 792371814 /nfs/dbraw/zinc/37/18/14/792371814.db2.gz NLDUWBQCYDFXOX-UYSNPLJNSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccc(C#N)cn3)C2)C1 ZINC001067852722 792371823 /nfs/dbraw/zinc/37/18/23/792371823.db2.gz NLDUWBQCYDFXOX-UYSNPLJNSA-N 1 1 343.431 0.981 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CC(CNc2cnc(C#N)cn2)C1 ZINC001067873507 792404137 /nfs/dbraw/zinc/40/41/37/792404137.db2.gz KLIFHNRIQADPKZ-UHFFFAOYSA-N 1 1 325.376 0.860 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@H](C)OC ZINC001066984664 792513673 /nfs/dbraw/zinc/51/36/73/792513673.db2.gz KRBXQFOGEKWTNL-HOTGVXAUSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@H](C)OC ZINC001066984664 792513683 /nfs/dbraw/zinc/51/36/83/792513683.db2.gz KRBXQFOGEKWTNL-HOTGVXAUSA-N 1 1 337.464 0.816 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1ccc(C#N)[nH]1 ZINC001067078544 792671980 /nfs/dbraw/zinc/67/19/80/792671980.db2.gz FFKMCKSQBRYRMG-HNNXBMFYSA-N 1 1 347.419 0.137 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ccc(C#N)[nH]1 ZINC001067078544 792671986 /nfs/dbraw/zinc/67/19/86/792671986.db2.gz FFKMCKSQBRYRMG-HNNXBMFYSA-N 1 1 347.419 0.137 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(c3cncc(C#N)n3)CC2(C)C)C1 ZINC001068113371 792693001 /nfs/dbraw/zinc/69/30/01/792693001.db2.gz IFFUVWZXMZBFOL-OCCSQVGLSA-N 1 1 328.420 0.631 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]21 ZINC001068158595 792758618 /nfs/dbraw/zinc/75/86/18/792758618.db2.gz GCENNMASQPDZJP-AYDFFVQHSA-N 1 1 343.406 0.985 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC001067214314 792828918 /nfs/dbraw/zinc/82/89/18/792828918.db2.gz GXOXRBJRUYCSSN-ZDUSSCGKSA-N 1 1 331.420 0.759 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001067220242 792837293 /nfs/dbraw/zinc/83/72/93/792837293.db2.gz RTLVZWKMWWBDCN-GXTWGEPZSA-N 1 1 328.420 0.513 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CC[N@H+](C)CC ZINC001067292563 792946329 /nfs/dbraw/zinc/94/63/29/792946329.db2.gz QZPLBBNSQXZXJQ-QGZVFWFLSA-N 1 1 327.469 0.962 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001068348401 793097812 /nfs/dbraw/zinc/09/78/12/793097812.db2.gz REIASYVYCBFAIP-UHFFFAOYSA-N 1 1 332.404 0.598 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001068394121 793199263 /nfs/dbraw/zinc/19/92/63/793199263.db2.gz LDVZAJYEJGHCSW-UHFFFAOYSA-N 1 1 333.432 0.180 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001068395355 793203046 /nfs/dbraw/zinc/20/30/46/793203046.db2.gz YNGGSFXAUWANOK-HZPDHXFCSA-N 1 1 347.459 0.283 20 30 ECEDMO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068403561 793229520 /nfs/dbraw/zinc/22/95/20/793229520.db2.gz PLRNDKCZDQIDGN-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001068406588 793240265 /nfs/dbraw/zinc/24/02/65/793240265.db2.gz ZIZDSCKSTPEQMM-UHFFFAOYSA-N 1 1 335.448 0.570 20 30 ECEDMO C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)CCOCC1 ZINC001267436979 837414565 /nfs/dbraw/zinc/41/45/65/837414565.db2.gz RDHSWOHNOZZLPH-OWCLPIDISA-N 1 1 347.459 0.923 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)C2=COCCO2)C1 ZINC001267443262 837425558 /nfs/dbraw/zinc/42/55/58/837425558.db2.gz NRZPEODKQNARNF-HUUCEWRRSA-N 1 1 349.431 0.325 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)C2=COCCO2)C1 ZINC001267443262 837425563 /nfs/dbraw/zinc/42/55/63/837425563.db2.gz NRZPEODKQNARNF-HUUCEWRRSA-N 1 1 349.431 0.325 20 30 ECEDMO CCCN(C(=O)c1ccc(C(N)=O)[nH]1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267481034 837533473 /nfs/dbraw/zinc/53/34/73/837533473.db2.gz DTOGYYMKZUNXLK-CQSZACIVSA-N 1 1 346.431 0.690 20 30 ECEDMO CCCN(C(=O)c1ccc(C(N)=O)[nH]1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267481034 837533478 /nfs/dbraw/zinc/53/34/78/837533478.db2.gz DTOGYYMKZUNXLK-CQSZACIVSA-N 1 1 346.431 0.690 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CNC(=O)C(N)=O)c1ccccc1 ZINC001267518600 837664704 /nfs/dbraw/zinc/66/47/04/837664704.db2.gz APOIYUHFHWCYQL-HNNXBMFYSA-N 1 1 346.431 0.343 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC(OCC)C2)C1 ZINC001267539860 837724327 /nfs/dbraw/zinc/72/43/27/837724327.db2.gz KRFGQQPGRWQVFS-AQFXKWCLSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CC(OCC)C2)C1 ZINC001267539860 837724335 /nfs/dbraw/zinc/72/43/35/837724335.db2.gz KRFGQQPGRWQVFS-AQFXKWCLSA-N 1 1 349.475 0.864 20 30 ECEDMO CCCN(C(=O)C[C@@H]1COC(=O)C1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267541349 837726176 /nfs/dbraw/zinc/72/61/76/837726176.db2.gz ZGBBPULNZCGUTJ-HOTGVXAUSA-N 1 1 336.432 0.902 20 30 ECEDMO CCCN(C(=O)C[C@@H]1COC(=O)C1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267541349 837726182 /nfs/dbraw/zinc/72/61/82/837726182.db2.gz ZGBBPULNZCGUTJ-HOTGVXAUSA-N 1 1 336.432 0.902 20 30 ECEDMO CC(F)(F)CCC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267544709 837734352 /nfs/dbraw/zinc/73/43/52/837734352.db2.gz MRFNGJBJYLTWQH-GFCCVEGCSA-N 1 1 330.379 0.890 20 30 ECEDMO C#CCNC(=O)CN1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267548371 837744717 /nfs/dbraw/zinc/74/47/17/837744717.db2.gz DPJQGDPZBCCVDV-JKSUJKDBSA-N 1 1 334.464 0.000 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccnc(F)c2)C1 ZINC001267556753 837764177 /nfs/dbraw/zinc/76/41/77/837764177.db2.gz YBJZPEIIELYCBC-LBPRGKRZSA-N 1 1 333.367 0.302 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](OC)C2CCC2)C1 ZINC001267560168 837769181 /nfs/dbraw/zinc/76/91/81/837769181.db2.gz DMCKYSZCMZTSOR-WMLDXEAASA-N 1 1 335.448 0.379 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)c2ccc(C#C)cc2)C1 ZINC001267560299 837770707 /nfs/dbraw/zinc/77/07/07/837770707.db2.gz FKXWQLVTLKWBEG-QGZVFWFLSA-N 1 1 337.423 0.859 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CCNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001267564461 837779082 /nfs/dbraw/zinc/77/90/82/837779082.db2.gz BHADUIHPHNZMJO-CQSZACIVSA-N 1 1 330.432 0.816 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C2)c1 ZINC001267565471 837781437 /nfs/dbraw/zinc/78/14/37/837781437.db2.gz NLXWERMGGNRDJQ-OAHLLOKOSA-N 1 1 338.415 0.833 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@@H]2CC[N@H+](Cc3cnn(C)n3)C2)c1 ZINC001267565471 837781443 /nfs/dbraw/zinc/78/14/43/837781443.db2.gz NLXWERMGGNRDJQ-OAHLLOKOSA-N 1 1 338.415 0.833 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cnoc2CC)C1 ZINC001267567793 837789037 /nfs/dbraw/zinc/78/90/37/837789037.db2.gz PBZANMZPGWLGCV-ZDUSSCGKSA-N 1 1 332.404 0.428 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)C[C@H]2CCC(=O)NC2)CC1 ZINC001267573635 837814787 /nfs/dbraw/zinc/81/47/87/837814787.db2.gz WHAMMHRFHUHOKF-MRXNPFEDSA-N 1 1 334.464 0.002 20 30 ECEDMO CC#CCN1CC[NH+](CCN(C)C(=O)C[C@H]2CCC(=O)NC2)CC1 ZINC001267573635 837814797 /nfs/dbraw/zinc/81/47/97/837814797.db2.gz WHAMMHRFHUHOKF-MRXNPFEDSA-N 1 1 334.464 0.002 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC001267574437 837821407 /nfs/dbraw/zinc/82/14/07/837821407.db2.gz HIPYDLCRZFKFMU-UHFFFAOYSA-N 1 1 325.363 0.670 20 30 ECEDMO C#CCCN1CCN(CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001267574680 837822735 /nfs/dbraw/zinc/82/27/35/837822735.db2.gz POEXZDDQZXHGBM-UHFFFAOYSA-N 1 1 334.508 0.960 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C2(C(F)(F)F)CC2)C1 ZINC001267575671 837829228 /nfs/dbraw/zinc/82/92/28/837829228.db2.gz JNGGCVOPCSJIEO-GFCCVEGCSA-N 1 1 345.365 0.907 20 30 ECEDMO Cc1nnc([C@H](C)N2CC[NH+](CCCNC(=O)[C@@H](C)C#N)CC2)o1 ZINC001266259997 835569626 /nfs/dbraw/zinc/56/96/26/835569626.db2.gz MGXAOZOMMWNRIW-STQMWFEESA-N 1 1 334.424 0.723 20 30 ECEDMO COC[C@@H](C)N1CC[NH+](CCCNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001266263146 835574522 /nfs/dbraw/zinc/57/45/22/835574522.db2.gz WAEDFDVOISRWMO-CQSZACIVSA-N 1 1 333.436 0.659 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001266282916 835612304 /nfs/dbraw/zinc/61/23/04/835612304.db2.gz WZRMRPBMULSXJX-NSHDSACASA-N 1 1 343.387 0.068 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001266282916 835612307 /nfs/dbraw/zinc/61/23/07/835612307.db2.gz WZRMRPBMULSXJX-NSHDSACASA-N 1 1 343.387 0.068 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)Cc2cccc(OCC)n2)CC1 ZINC001266288260 835631299 /nfs/dbraw/zinc/63/12/99/835631299.db2.gz UYBBSSMAZQNZII-UHFFFAOYSA-N 1 1 344.459 0.780 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000969515595 835647498 /nfs/dbraw/zinc/64/74/98/835647498.db2.gz HNHZFTFDPNZWKD-AFIMGQEJSA-N 1 1 330.432 0.834 20 30 ECEDMO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001266314926 835682367 /nfs/dbraw/zinc/68/23/67/835682367.db2.gz MNHJEXDWVMAPRT-AWEZNQCLSA-N 1 1 334.420 0.312 20 30 ECEDMO CN(CC#Cc1ccccc1)CCNC(=O)CC[NH+]1CCOCC1 ZINC001266337573 835722042 /nfs/dbraw/zinc/72/20/42/835722042.db2.gz KNXCBBFIENGVNS-UHFFFAOYSA-N 1 1 329.444 0.808 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2c(C)nn(CC)c2C)C1=O ZINC001266340273 835725695 /nfs/dbraw/zinc/72/56/95/835725695.db2.gz QOOXODJSVMCEDA-OAHLLOKOSA-N 1 1 347.463 0.968 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2c(C)nn(CC)c2C)C1=O ZINC001266340273 835725699 /nfs/dbraw/zinc/72/56/99/835725699.db2.gz QOOXODJSVMCEDA-OAHLLOKOSA-N 1 1 347.463 0.968 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001266356349 835760217 /nfs/dbraw/zinc/76/02/17/835760217.db2.gz UDMQBVUKGBKMNP-GFCCVEGCSA-N 1 1 341.371 0.184 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001266356349 835760221 /nfs/dbraw/zinc/76/02/21/835760221.db2.gz UDMQBVUKGBKMNP-GFCCVEGCSA-N 1 1 341.371 0.184 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001266359105 835767418 /nfs/dbraw/zinc/76/74/18/835767418.db2.gz NNMPJHASYSFNLA-WCQYABFASA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001266359105 835767421 /nfs/dbraw/zinc/76/74/21/835767421.db2.gz NNMPJHASYSFNLA-WCQYABFASA-N 1 1 342.403 0.453 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H](OC)c1ccc(F)cc1 ZINC001266365047 835777527 /nfs/dbraw/zinc/77/75/27/835777527.db2.gz KZTTYFBTYQWLAY-XJKSGUPXSA-N 1 1 349.406 0.699 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H](OC)c1ccc(F)cc1 ZINC001266365047 835777533 /nfs/dbraw/zinc/77/75/33/835777533.db2.gz KZTTYFBTYQWLAY-XJKSGUPXSA-N 1 1 349.406 0.699 20 30 ECEDMO CCc1ocnc1C(=O)N[C@@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001266368313 835781647 /nfs/dbraw/zinc/78/16/47/835781647.db2.gz HVDANRREEAVFSV-CYBMUJFWSA-N 1 1 345.403 0.461 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)C[C@H]2CCOC2)CC1 ZINC001266384782 835795322 /nfs/dbraw/zinc/79/53/22/835795322.db2.gz VKUFQARPWDTRFR-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001266385890 835795500 /nfs/dbraw/zinc/79/55/00/835795500.db2.gz LQSKDLHZAWDJNB-HNNXBMFYSA-N 1 1 329.404 0.725 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001266403137 835810055 /nfs/dbraw/zinc/81/00/55/835810055.db2.gz FMDOJFPWPUELKW-YHUYYLMFSA-N 1 1 337.464 0.930 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001266403137 835810062 /nfs/dbraw/zinc/81/00/62/835810062.db2.gz FMDOJFPWPUELKW-YHUYYLMFSA-N 1 1 337.464 0.930 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC1 ZINC001266454527 835857929 /nfs/dbraw/zinc/85/79/29/835857929.db2.gz XVRMKYCVZVHQDY-AWEZNQCLSA-N 1 1 336.436 0.769 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCC1CC1 ZINC001266454527 835857934 /nfs/dbraw/zinc/85/79/34/835857934.db2.gz XVRMKYCVZVHQDY-AWEZNQCLSA-N 1 1 336.436 0.769 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001266456576 835859854 /nfs/dbraw/zinc/85/98/54/835859854.db2.gz ZQHNMEFFOPDTEZ-HNNXBMFYSA-N 1 1 343.493 0.365 20 30 ECEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001266458824 835862475 /nfs/dbraw/zinc/86/24/75/835862475.db2.gz CWDAXISMWOBUEH-AWEZNQCLSA-N 1 1 331.482 0.672 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001266471131 835872515 /nfs/dbraw/zinc/87/25/15/835872515.db2.gz IYNLESQZPDJOAC-CYBMUJFWSA-N 1 1 343.387 0.508 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001266471131 835872519 /nfs/dbraw/zinc/87/25/19/835872519.db2.gz IYNLESQZPDJOAC-CYBMUJFWSA-N 1 1 343.387 0.508 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CCF)c1 ZINC001266471377 835875066 /nfs/dbraw/zinc/87/50/66/835875066.db2.gz NOIBCEGUAYBGFH-HIFRSBDPSA-N 1 1 349.410 0.185 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cnn(CCF)c1 ZINC001266471377 835875070 /nfs/dbraw/zinc/87/50/70/835875070.db2.gz NOIBCEGUAYBGFH-HIFRSBDPSA-N 1 1 349.410 0.185 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001266477267 835878925 /nfs/dbraw/zinc/87/89/25/835878925.db2.gz MLIQBZDHGRZZDL-YJNKXOJESA-N 1 1 348.447 0.625 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001266477267 835878928 /nfs/dbraw/zinc/87/89/28/835878928.db2.gz MLIQBZDHGRZZDL-YJNKXOJESA-N 1 1 348.447 0.625 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001266483216 835883289 /nfs/dbraw/zinc/88/32/89/835883289.db2.gz QLWYPSKHHXXXCJ-AWEZNQCLSA-N 1 1 344.415 0.333 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001266483216 835883293 /nfs/dbraw/zinc/88/32/93/835883293.db2.gz QLWYPSKHHXXXCJ-AWEZNQCLSA-N 1 1 344.415 0.333 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001266488295 835888268 /nfs/dbraw/zinc/88/82/68/835888268.db2.gz GSFKGLJULNLBBL-CQSZACIVSA-N 1 1 328.416 0.447 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001266488295 835888271 /nfs/dbraw/zinc/88/82/71/835888271.db2.gz GSFKGLJULNLBBL-CQSZACIVSA-N 1 1 328.416 0.447 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001266489123 835889446 /nfs/dbraw/zinc/88/94/46/835889446.db2.gz XCPZPRWAYRGDBF-ZIAGYGMSSA-N 1 1 338.452 0.300 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001266492817 835893436 /nfs/dbraw/zinc/89/34/36/835893436.db2.gz XDZYYTUZIMRZDV-UKRRQHHQSA-N 1 1 329.466 0.615 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2ncccc12 ZINC001266495297 835894134 /nfs/dbraw/zinc/89/41/34/835894134.db2.gz KHWBYIYQSIBBPZ-ZDUSSCGKSA-N 1 1 339.399 0.507 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2ncccc12 ZINC001266495297 835894137 /nfs/dbraw/zinc/89/41/37/835894137.db2.gz KHWBYIYQSIBBPZ-ZDUSSCGKSA-N 1 1 339.399 0.507 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@H](CNC(=O)CSCC#N)C2)cc1=O ZINC001266500808 835900230 /nfs/dbraw/zinc/90/02/30/835900230.db2.gz WNNLBTIFWWHGPH-CQSZACIVSA-N 1 1 334.445 0.580 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CCc2ccoc2)C1 ZINC001266509090 835914036 /nfs/dbraw/zinc/91/40/36/835914036.db2.gz MCBJKSCHBHGCFG-HOCLYGCPSA-N 1 1 331.416 0.788 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001266513945 835924393 /nfs/dbraw/zinc/92/43/93/835924393.db2.gz JDFNXTDKNMKYNA-CVEARBPZSA-N 1 1 332.448 0.922 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccn3nccc23)C1 ZINC001266520769 835934659 /nfs/dbraw/zinc/93/46/59/835934659.db2.gz SUZALUOLGOHPMQ-AWEZNQCLSA-N 1 1 339.399 0.135 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001266521101 835935991 /nfs/dbraw/zinc/93/59/91/835935991.db2.gz ZUNHYGILSHWNHW-CABCVRRESA-N 1 1 345.447 0.186 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2occ3c2CCOC3)C1 ZINC001266523272 835938587 /nfs/dbraw/zinc/93/85/87/835938587.db2.gz KFPNWDUXPRGISF-ZDUSSCGKSA-N 1 1 345.399 0.153 20 30 ECEDMO N#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001266531148 835947478 /nfs/dbraw/zinc/94/74/78/835947478.db2.gz UOFFPTDLJFFAOH-HOCLYGCPSA-N 1 1 347.463 0.224 20 30 ECEDMO N#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001266531148 835947481 /nfs/dbraw/zinc/94/74/81/835947481.db2.gz UOFFPTDLJFFAOH-HOCLYGCPSA-N 1 1 347.463 0.224 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001266540080 835961110 /nfs/dbraw/zinc/96/11/10/835961110.db2.gz OGOYYNOWILNLJP-FUHWJXTLSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2csc(Cl)n2)C1 ZINC001266540371 835961292 /nfs/dbraw/zinc/96/12/92/835961292.db2.gz VJAPGNNVVISPFC-JTQLQIEISA-N 1 1 340.836 0.598 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cn(CCC)nc2C)C1 ZINC001266540603 835962914 /nfs/dbraw/zinc/96/29/14/835962914.db2.gz ZRJPPGQKYADPMU-HNNXBMFYSA-N 1 1 345.447 0.403 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cnc2C)C1 ZINC001266546678 835967680 /nfs/dbraw/zinc/96/76/80/835967680.db2.gz VFEGPIQFDZYZID-KBPBESRZSA-N 1 1 333.436 0.389 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cnc2C)C1 ZINC001266546681 835967807 /nfs/dbraw/zinc/96/78/07/835967807.db2.gz VFEGPIQFDZYZID-ZIAGYGMSSA-N 1 1 333.436 0.389 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001266546785 835968120 /nfs/dbraw/zinc/96/81/20/835968120.db2.gz XCCMHEAPAVGLEO-YOEHRIQHSA-N 1 1 335.448 0.379 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ncccc2OC)C1 ZINC001266546897 835968835 /nfs/dbraw/zinc/96/88/35/835968835.db2.gz ZCZSSBCHZUTSIM-KGLIPLIRSA-N 1 1 346.431 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(Cc1ncc(C)cn1)C1CC1 ZINC001266597046 836028201 /nfs/dbraw/zinc/02/82/01/836028201.db2.gz SZLRDAWFUDSXQJ-KRWDZBQOSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(Cc1ncc(C)cn1)C1CC1 ZINC001266597046 836028213 /nfs/dbraw/zinc/02/82/13/836028213.db2.gz SZLRDAWFUDSXQJ-KRWDZBQOSA-N 1 1 341.459 0.963 20 30 ECEDMO C=CCN1CC[C@@H](N(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C2CC2)C1=O ZINC001266611513 836045815 /nfs/dbraw/zinc/04/58/15/836045815.db2.gz MIRADBNYHRBBCP-NVXWUHKLSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCNC(=O)CN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001266614306 836048402 /nfs/dbraw/zinc/04/84/02/836048402.db2.gz ZXKVVJKYKWYXTL-SJORKVTESA-N 1 1 348.491 0.886 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cocn2)C1 ZINC001266660049 836097513 /nfs/dbraw/zinc/09/75/13/836097513.db2.gz UJWWORTWARITAG-UKRRQHHQSA-N 1 1 332.404 0.903 20 30 ECEDMO Cc1nc[nH]c1C(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266661994 836099294 /nfs/dbraw/zinc/09/92/94/836099294.db2.gz BSOCOQCLSSUCGD-UONOGXRCSA-N 1 1 344.419 0.284 20 30 ECEDMO Cc1nc[nH]c1C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266661994 836099302 /nfs/dbraw/zinc/09/93/02/836099302.db2.gz BSOCOQCLSSUCGD-UONOGXRCSA-N 1 1 344.419 0.284 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CCn2cccn2)C1 ZINC001266740103 836222362 /nfs/dbraw/zinc/22/23/62/836222362.db2.gz JRYZEJSAUASPQQ-JKSUJKDBSA-N 1 1 345.447 0.239 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2cncnc2)C1 ZINC001266747182 836235541 /nfs/dbraw/zinc/23/55/41/836235541.db2.gz ORKUXCGXWUQNQO-UONOGXRCSA-N 1 1 331.420 0.609 20 30 ECEDMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C#CC(C)C)C1 ZINC001266749870 836238772 /nfs/dbraw/zinc/23/87/72/836238772.db2.gz NHRYTWCJSLJGNX-KBPBESRZSA-N 1 1 336.436 0.318 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C2(COCC)CC2)C1 ZINC001266754383 836247657 /nfs/dbraw/zinc/24/76/57/836247657.db2.gz BPZIWIVJLBGRLI-OAHLLOKOSA-N 1 1 335.448 0.381 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001266755289 836249818 /nfs/dbraw/zinc/24/98/18/836249818.db2.gz ORWFZVCHXUDNGP-OLZOCXBDSA-N 1 1 334.395 0.734 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)c(C)cn2)C1 ZINC001266756080 836251815 /nfs/dbraw/zinc/25/18/15/836251815.db2.gz ZWJFAWZYKNIMFY-INIZCTEOSA-N 1 1 342.443 0.890 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ncccn2)C1 ZINC001266763346 836266429 /nfs/dbraw/zinc/26/64/29/836266429.db2.gz CICLBIMAYHHJNH-UONOGXRCSA-N 1 1 329.404 0.056 20 30 ECEDMO CC(C)(C(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1)c1c[nH]cn1 ZINC001266768014 836275538 /nfs/dbraw/zinc/27/55/38/836275538.db2.gz WJFRCEAFLPKZFO-CYBMUJFWSA-N 1 1 346.435 0.155 20 30 ECEDMO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1)c1c[nH]cn1 ZINC001266768014 836275546 /nfs/dbraw/zinc/27/55/46/836275546.db2.gz WJFRCEAFLPKZFO-CYBMUJFWSA-N 1 1 346.435 0.155 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001266769756 836278937 /nfs/dbraw/zinc/27/89/37/836278937.db2.gz HMWKNPQSMIOKRX-CQSZACIVSA-N 1 1 336.436 0.368 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1nc2ccccn2c1=O ZINC001266850134 836379985 /nfs/dbraw/zinc/37/99/85/836379985.db2.gz VGIAXJDZFLKFEC-AWEZNQCLSA-N 1 1 327.388 0.100 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266857253 836394049 /nfs/dbraw/zinc/39/40/49/836394049.db2.gz KVSMMVFTYGKBRG-CQSZACIVSA-N 1 1 336.436 0.817 20 30 ECEDMO C#CCOCCC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001266867847 836411641 /nfs/dbraw/zinc/41/16/41/836411641.db2.gz QGNXDQCNOPZVDT-KGLIPLIRSA-N 1 1 334.424 0.282 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C1=NC(=O)N(C)C1 ZINC001266875919 836423114 /nfs/dbraw/zinc/42/31/14/836423114.db2.gz CFTBBOHPVAHLOL-QWHCGFSZSA-N 1 1 349.435 0.401 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001266892108 836439671 /nfs/dbraw/zinc/43/96/71/836439671.db2.gz SYGCNQXTUXJFDF-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO Cc1[nH]ccc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266893389 836442407 /nfs/dbraw/zinc/44/24/07/836442407.db2.gz QLAZQMLRUAIBDA-GXTWGEPZSA-N 1 1 331.420 0.793 20 30 ECEDMO Cc1[nH]ccc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266893389 836442417 /nfs/dbraw/zinc/44/24/17/836442417.db2.gz QLAZQMLRUAIBDA-GXTWGEPZSA-N 1 1 331.420 0.793 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266897348 836447916 /nfs/dbraw/zinc/44/79/16/836447916.db2.gz NCZLCBRZMMJNTQ-KGLIPLIRSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266897898 836448938 /nfs/dbraw/zinc/44/89/38/836448938.db2.gz QCPOAUGKCMBAPB-JKSUJKDBSA-N 1 1 346.475 0.048 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)OCC ZINC001266901151 836455027 /nfs/dbraw/zinc/45/50/27/836455027.db2.gz ADMCQCCLFLMCID-LVNYTYFRSA-N 1 1 335.448 0.635 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001267002101 836595326 /nfs/dbraw/zinc/59/53/26/836595326.db2.gz YYCRDVZLAVZNIF-ZIAGYGMSSA-N 1 1 346.435 0.024 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001267102860 836776502 /nfs/dbraw/zinc/77/65/02/836776502.db2.gz OLHSTHMUSCCFHC-CZUORRHYSA-N 1 1 341.415 0.561 20 30 ECEDMO Cc1cc(CCC(=O)N2CCC[C@H]([N@H+](C)CC(=O)NCC#N)C2)no1 ZINC001267111768 836797035 /nfs/dbraw/zinc/79/70/35/836797035.db2.gz SBTDPXCNCKOKGW-HNNXBMFYSA-N 1 1 347.419 0.478 20 30 ECEDMO Cc1cc(CCC(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)no1 ZINC001267111768 836797042 /nfs/dbraw/zinc/79/70/42/836797042.db2.gz SBTDPXCNCKOKGW-HNNXBMFYSA-N 1 1 347.419 0.478 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001267111810 836797483 /nfs/dbraw/zinc/79/74/83/836797483.db2.gz SUXLVLAQNSJRGE-CZUORRHYSA-N 1 1 327.400 0.340 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001267111810 836797495 /nfs/dbraw/zinc/79/74/95/836797495.db2.gz SUXLVLAQNSJRGE-CZUORRHYSA-N 1 1 327.400 0.340 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001267112196 836799872 /nfs/dbraw/zinc/79/98/72/836799872.db2.gz PRGFAUVQDXGFPD-UKRRQHHQSA-N 1 1 333.436 0.566 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCC[C@@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC001267163037 836881562 /nfs/dbraw/zinc/88/15/62/836881562.db2.gz LCBDSKGVZHFOKP-UONOGXRCSA-N 1 1 334.420 0.656 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001267170725 836902718 /nfs/dbraw/zinc/90/27/18/836902718.db2.gz SFTOKJDVCQTOIH-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CCn3cncc3C2)C1=O ZINC001267202668 836979505 /nfs/dbraw/zinc/97/95/05/836979505.db2.gz GSLOPWNJUXAXJA-GDBMZVCRSA-N 1 1 345.447 0.280 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CCn3cncc3C2)C1=O ZINC001267202668 836979511 /nfs/dbraw/zinc/97/95/11/836979511.db2.gz GSLOPWNJUXAXJA-GDBMZVCRSA-N 1 1 345.447 0.280 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnc2n[nH]cc2c1 ZINC001267203750 836981855 /nfs/dbraw/zinc/98/18/55/836981855.db2.gz JNZQAPVEULOGOA-NSHDSACASA-N 1 1 330.392 0.310 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnc2n[nH]cc2c1 ZINC001267203750 836981866 /nfs/dbraw/zinc/98/18/66/836981866.db2.gz JNZQAPVEULOGOA-NSHDSACASA-N 1 1 330.392 0.310 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001267206744 836989600 /nfs/dbraw/zinc/98/96/00/836989600.db2.gz NOKXVVLESUIDGA-CYBMUJFWSA-N 1 1 341.415 0.671 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001267206744 836989604 /nfs/dbraw/zinc/98/96/04/836989604.db2.gz NOKXVVLESUIDGA-CYBMUJFWSA-N 1 1 341.415 0.671 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)Cc2cccnc2)C1=O ZINC001267238061 837045993 /nfs/dbraw/zinc/04/59/93/837045993.db2.gz APWMZRCNGIAMFF-MRXNPFEDSA-N 1 1 330.432 0.849 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@@H+](CC)CC(=O)N1CCC[C@H](C)C1 ZINC001267241100 837049129 /nfs/dbraw/zinc/04/91/29/837049129.db2.gz JYWBZLNAUZQOHE-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@H+](CC)CC(=O)N1CCC[C@H](C)C1 ZINC001267241100 837049139 /nfs/dbraw/zinc/04/91/39/837049139.db2.gz JYWBZLNAUZQOHE-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cc(C2CC2)nn1C ZINC001267242577 837052121 /nfs/dbraw/zinc/05/21/21/837052121.db2.gz QXOQBZVAKBBJKZ-ZDUSSCGKSA-N 1 1 345.447 0.487 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cc(C2CC2)nn1C ZINC001267242577 837052136 /nfs/dbraw/zinc/05/21/36/837052136.db2.gz QXOQBZVAKBBJKZ-ZDUSSCGKSA-N 1 1 345.447 0.487 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1cnc2[nH]cnc2c1 ZINC001267242453 837052250 /nfs/dbraw/zinc/05/22/50/837052250.db2.gz LXRDOULHNYDKSM-UHFFFAOYSA-N 1 1 330.392 0.312 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cnc2[nH]cnc2c1 ZINC001267242453 837052263 /nfs/dbraw/zinc/05/22/63/837052263.db2.gz LXRDOULHNYDKSM-UHFFFAOYSA-N 1 1 330.392 0.312 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[N@H+](CC)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001267247136 837061010 /nfs/dbraw/zinc/06/10/10/837061010.db2.gz AQJBWFBRLYDREL-CQSZACIVSA-N 1 1 345.509 0.918 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1ccc2cnccc2n1 ZINC001267251131 837070443 /nfs/dbraw/zinc/07/04/43/837070443.db2.gz VXOPRENGJCBERG-UHFFFAOYSA-N 1 1 339.399 0.431 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ccc2cnccc2n1 ZINC001267251131 837070456 /nfs/dbraw/zinc/07/04/56/837070456.db2.gz VXOPRENGJCBERG-UHFFFAOYSA-N 1 1 339.399 0.431 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H](C)c1cccnc1 ZINC001267256109 837081868 /nfs/dbraw/zinc/08/18/68/837081868.db2.gz XRZMOARJKTYBTH-LSDHHAIUSA-N 1 1 330.432 0.761 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H](C)c1cccnc1 ZINC001267256109 837081877 /nfs/dbraw/zinc/08/18/77/837081877.db2.gz XRZMOARJKTYBTH-LSDHHAIUSA-N 1 1 330.432 0.761 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC001267264970 837099964 /nfs/dbraw/zinc/09/99/64/837099964.db2.gz VHLVZFGQSBAXOW-UKRRQHHQSA-N 1 1 331.420 0.235 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC001267264970 837099971 /nfs/dbraw/zinc/09/99/71/837099971.db2.gz VHLVZFGQSBAXOW-UKRRQHHQSA-N 1 1 331.420 0.235 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001267267144 837106009 /nfs/dbraw/zinc/10/60/09/837106009.db2.gz LPUOWXGJSNGNCP-NVXWUHKLSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCc1cnn(C)c1C ZINC001267268868 837107071 /nfs/dbraw/zinc/10/70/71/837107071.db2.gz HIHYZEGANSKOAY-INIZCTEOSA-N 1 1 347.463 0.544 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1cnn(C)c1C ZINC001267268868 837107074 /nfs/dbraw/zinc/10/70/74/837107074.db2.gz HIHYZEGANSKOAY-INIZCTEOSA-N 1 1 347.463 0.544 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC001267271499 837112280 /nfs/dbraw/zinc/11/22/80/837112280.db2.gz WZAVICDZWRYMSJ-HIFRSBDPSA-N 1 1 346.431 0.270 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCCF ZINC001267272550 837113843 /nfs/dbraw/zinc/11/38/43/837113843.db2.gz PTBCJRNLLGOJEH-GFCCVEGCSA-N 1 1 328.388 0.329 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCF ZINC001267272550 837113848 /nfs/dbraw/zinc/11/38/48/837113848.db2.gz PTBCJRNLLGOJEH-GFCCVEGCSA-N 1 1 328.388 0.329 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1cncnc1 ZINC001267276412 837121102 /nfs/dbraw/zinc/12/11/02/837121102.db2.gz MXZZZGPDHUIJLM-ZBFHGGJFSA-N 1 1 343.431 0.128 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1cncnc1 ZINC001267276412 837121108 /nfs/dbraw/zinc/12/11/08/837121108.db2.gz MXZZZGPDHUIJLM-ZBFHGGJFSA-N 1 1 343.431 0.128 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001267279852 837127913 /nfs/dbraw/zinc/12/79/13/837127913.db2.gz MBDJRTXYWANUNO-UONOGXRCSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001267279852 837127916 /nfs/dbraw/zinc/12/79/16/837127916.db2.gz MBDJRTXYWANUNO-UONOGXRCSA-N 1 1 346.431 0.959 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CN(C)C1=O ZINC001267281971 837130599 /nfs/dbraw/zinc/13/05/99/837130599.db2.gz NIEWLECCKNBLOO-LLVKDONJSA-N 1 1 328.800 0.214 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CN(C)C1=O ZINC001267281971 837130603 /nfs/dbraw/zinc/13/06/03/837130603.db2.gz NIEWLECCKNBLOO-LLVKDONJSA-N 1 1 328.800 0.214 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnns2)C1 ZINC001267288585 837138690 /nfs/dbraw/zinc/13/86/90/837138690.db2.gz MIGXBZPMFPWNHF-CYBMUJFWSA-N 1 1 349.460 0.790 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001267289783 837139505 /nfs/dbraw/zinc/13/95/05/837139505.db2.gz UQWPQVCGLOUAGK-AWEZNQCLSA-N 1 1 333.436 0.886 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267291671 837140975 /nfs/dbraw/zinc/14/09/75/837140975.db2.gz JZWAPNIPRLIQQF-DZGCQCFKSA-N 1 1 332.466 0.186 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267291671 837140981 /nfs/dbraw/zinc/14/09/81/837140981.db2.gz JZWAPNIPRLIQQF-DZGCQCFKSA-N 1 1 332.466 0.186 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC(C)(F)F)C1 ZINC001267302075 837166524 /nfs/dbraw/zinc/16/65/24/837166524.db2.gz LPWXPTATDXBMSN-LLVKDONJSA-N 1 1 346.378 0.482 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(COC)cc2)C1 ZINC001267304875 837174651 /nfs/dbraw/zinc/17/46/51/837174651.db2.gz FEGLFFMGRFEOEN-MRXNPFEDSA-N 1 1 343.427 0.634 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001267306425 837178149 /nfs/dbraw/zinc/17/81/49/837178149.db2.gz GTWTXBIMWUFHFF-ZDUSSCGKSA-N 1 1 333.436 0.428 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001267307471 837179055 /nfs/dbraw/zinc/17/90/55/837179055.db2.gz SWUNAUJLETYCRC-GJZGRUSLSA-N 1 1 338.452 0.560 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCNC(=O)C3CC3)C2)nc1 ZINC001267307382 837179744 /nfs/dbraw/zinc/17/97/44/837179744.db2.gz REIAGKRZEZGVEI-HNNXBMFYSA-N 1 1 340.427 0.641 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2(CCOC)CCCC2)C1 ZINC001267309661 837183135 /nfs/dbraw/zinc/18/31/35/837183135.db2.gz NKLAGWXBBXCBFP-INIZCTEOSA-N 1 1 349.475 0.771 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1c(C)cc(=O)oc1C ZINC001267314344 837189462 /nfs/dbraw/zinc/18/94/62/837189462.db2.gz HDDHSWATLHXHNY-UHFFFAOYSA-N 1 1 347.415 0.448 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1c(C)cc(=O)oc1C ZINC001267314344 837189466 /nfs/dbraw/zinc/18/94/66/837189466.db2.gz HDDHSWATLHXHNY-UHFFFAOYSA-N 1 1 347.415 0.448 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1ccc2[nH]ccc2n1 ZINC001267314235 837189643 /nfs/dbraw/zinc/18/96/43/837189643.db2.gz DSSMQUVGOXBQCH-UHFFFAOYSA-N 1 1 341.415 0.754 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1ccc2[nH]ccc2n1 ZINC001267314235 837189649 /nfs/dbraw/zinc/18/96/49/837189649.db2.gz DSSMQUVGOXBQCH-UHFFFAOYSA-N 1 1 341.415 0.754 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1ccc2n[nH]cc2c1)CC(=O)NCC#N ZINC001267316806 837192477 /nfs/dbraw/zinc/19/24/77/837192477.db2.gz CVCNPJWDRYWINC-UHFFFAOYSA-N 1 1 342.403 0.644 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1ccc2n[nH]cc2c1)CC(=O)NCC#N ZINC001267316806 837192482 /nfs/dbraw/zinc/19/24/82/837192482.db2.gz CVCNPJWDRYWINC-UHFFFAOYSA-N 1 1 342.403 0.644 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCC)CCNC(=O)c2cnn(C)n2)C1=O ZINC001267317965 837193850 /nfs/dbraw/zinc/19/38/50/837193850.db2.gz CZOUSSLFSDMLHX-CQSZACIVSA-N 1 1 334.424 0.044 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[N@H+](CCc1ccnn1C)C1CC1 ZINC001267327410 837208024 /nfs/dbraw/zinc/20/80/24/837208024.db2.gz MQDVYBDEJZIHRT-SFHVURJKSA-N 1 1 343.475 0.641 20 30 ECEDMO C#CCC[N@H+](CCNC(=O)CS(=O)(=O)NC(C)(C)C)C1CC1 ZINC001267337795 837222487 /nfs/dbraw/zinc/22/24/87/837222487.db2.gz JAQUAAAMEXKWMW-UHFFFAOYSA-N 1 1 329.466 0.308 20 30 ECEDMO CN(CC[NH2+]Cc1ccc(S(C)(=O)=O)o1)C(=O)CSCC#N ZINC001267349549 837236121 /nfs/dbraw/zinc/23/61/21/837236121.db2.gz XTAUHHNZNDKIKT-UHFFFAOYSA-N 1 1 345.446 0.488 20 30 ECEDMO CC(C)(O)CC(=O)NC[C@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC001267357822 837246814 /nfs/dbraw/zinc/24/68/14/837246814.db2.gz SJWWUSUHBVBJNB-AWEZNQCLSA-N 1 1 332.404 0.234 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001267587020 837865712 /nfs/dbraw/zinc/86/57/12/837865712.db2.gz DZEWJIWDXKBBRU-OLZOCXBDSA-N 1 1 338.452 0.952 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC001267592258 837883955 /nfs/dbraw/zinc/88/39/55/837883955.db2.gz QKVNNNRXSOVUTN-KGLIPLIRSA-N 1 1 331.420 0.561 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H](C[N@@H+](C)CCOCCO)C1 ZINC001267593320 837890601 /nfs/dbraw/zinc/89/06/01/837890601.db2.gz IFAINFIRZRBLMO-KRWDZBQOSA-N 1 1 344.455 1.000 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2ccccc2O)CC1 ZINC001267597521 837904094 /nfs/dbraw/zinc/90/40/94/837904094.db2.gz CRKOISPDFGOLKX-UHFFFAOYSA-N 1 1 343.427 0.926 20 30 ECEDMO C=CCOCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 ZINC001267597685 837904232 /nfs/dbraw/zinc/90/42/32/837904232.db2.gz GFEGZTXIGRMBTA-CQSZACIVSA-N 1 1 325.453 0.884 20 30 ECEDMO CC[C@H](SC)C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267598360 837906583 /nfs/dbraw/zinc/90/65/83/837906583.db2.gz BKHBLCKADNRFGW-AWEZNQCLSA-N 1 1 340.493 0.938 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cc(CC)n(C)n2)C1 ZINC001267605527 837941995 /nfs/dbraw/zinc/94/19/95/837941995.db2.gz WKMQEOLXDHATKW-CQSZACIVSA-N 1 1 345.447 0.174 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@H](CC(=C)C)NC(C)=O)CC1 ZINC001267612191 837979904 /nfs/dbraw/zinc/97/99/04/837979904.db2.gz AOCGBMHTKAJHHP-KRWDZBQOSA-N 1 1 334.464 0.167 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@H](CC(=C)C)NC(C)=O)CC1 ZINC001267612191 837979908 /nfs/dbraw/zinc/97/99/08/837979908.db2.gz AOCGBMHTKAJHHP-KRWDZBQOSA-N 1 1 334.464 0.167 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@H](CC)N2CCCC2=O)CC1 ZINC001267618031 838046832 /nfs/dbraw/zinc/04/68/32/838046832.db2.gz JJLPIKLMESZGDM-INIZCTEOSA-N 1 1 334.464 0.097 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@H](CC)N2CCCC2=O)CC1 ZINC001267618031 838046839 /nfs/dbraw/zinc/04/68/39/838046839.db2.gz JJLPIKLMESZGDM-INIZCTEOSA-N 1 1 334.464 0.097 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)C2=COCCO2)C1 ZINC001267620583 838058877 /nfs/dbraw/zinc/05/88/77/838058877.db2.gz BNOYBOSYASXAPI-HNNXBMFYSA-N 1 1 349.431 0.656 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](NC(=O)C2=COCCO2)C1 ZINC001267620583 838058889 /nfs/dbraw/zinc/05/88/89/838058889.db2.gz BNOYBOSYASXAPI-HNNXBMFYSA-N 1 1 349.431 0.656 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2ccn(CC)n2)C1 ZINC001267626405 838077135 /nfs/dbraw/zinc/07/71/35/838077135.db2.gz UNKVACKFTJQMCP-ZBFHGGJFSA-N 1 1 347.463 0.717 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2ccn(CC)n2)C1 ZINC001267626405 838077144 /nfs/dbraw/zinc/07/71/44/838077144.db2.gz UNKVACKFTJQMCP-ZBFHGGJFSA-N 1 1 347.463 0.717 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)OCC(C)C)C1 ZINC001267631102 838091093 /nfs/dbraw/zinc/09/10/93/838091093.db2.gz AVGAXOKWCMNHAY-HZPDHXFCSA-N 1 1 337.464 0.577 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001267632698 838096474 /nfs/dbraw/zinc/09/64/74/838096474.db2.gz PHYUWBORHDFDLY-TZMCWYRMSA-N 1 1 331.420 0.250 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001267632698 838096485 /nfs/dbraw/zinc/09/64/85/838096485.db2.gz PHYUWBORHDFDLY-TZMCWYRMSA-N 1 1 331.420 0.250 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001267632698 838096495 /nfs/dbraw/zinc/09/64/95/838096495.db2.gz PHYUWBORHDFDLY-TZMCWYRMSA-N 1 1 331.420 0.250 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001267633033 838098003 /nfs/dbraw/zinc/09/80/03/838098003.db2.gz SOLHGDCAILDPEP-KGLIPLIRSA-N 1 1 333.436 0.803 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001267633033 838098009 /nfs/dbraw/zinc/09/80/09/838098009.db2.gz SOLHGDCAILDPEP-KGLIPLIRSA-N 1 1 333.436 0.803 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001267633033 838098015 /nfs/dbraw/zinc/09/80/15/838098015.db2.gz SOLHGDCAILDPEP-KGLIPLIRSA-N 1 1 333.436 0.803 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CCC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001267633874 838102129 /nfs/dbraw/zinc/10/21/29/838102129.db2.gz SQDLGNGPKLPSJZ-AWEZNQCLSA-N 1 1 348.451 0.352 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001267638784 838115222 /nfs/dbraw/zinc/11/52/22/838115222.db2.gz RULVTZUPPWHHHU-JKSUJKDBSA-N 1 1 325.453 0.300 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001267638782 838115318 /nfs/dbraw/zinc/11/53/18/838115318.db2.gz RULVTZUPPWHHHU-HOTGVXAUSA-N 1 1 325.453 0.300 20 30 ECEDMO CC(=O)NCCOCC[N@H+](C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267645784 838131136 /nfs/dbraw/zinc/13/11/36/838131136.db2.gz FWGRZBWAPJRZNU-QGZVFWFLSA-N 1 1 335.448 0.333 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(F)CCOCC2)C1 ZINC001267653399 838157169 /nfs/dbraw/zinc/15/71/69/838157169.db2.gz QYRUEYFHKAMIKR-OAHLLOKOSA-N 1 1 326.412 0.935 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001267658458 838173791 /nfs/dbraw/zinc/17/37/91/838173791.db2.gz ORINGVVEIIJAEA-HNNXBMFYSA-N 1 1 331.416 0.429 20 30 ECEDMO C=CCCCC(=O)N1CC[C@@H](C[N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001267681480 838240018 /nfs/dbraw/zinc/24/00/18/838240018.db2.gz ACPUIPUCPXONHU-AWEZNQCLSA-N 1 1 336.436 0.675 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC1C[NH+](CC(=O)N2CCCC[C@H]2C)C1 ZINC001267680898 838240414 /nfs/dbraw/zinc/24/04/14/838240414.db2.gz AUSQAWIXHOUKIG-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001267703307 838301548 /nfs/dbraw/zinc/30/15/48/838301548.db2.gz OJZKRTHTGABIAB-CABCVRRESA-N 1 1 345.447 0.179 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(=O)NC)nc1 ZINC001267717275 838357180 /nfs/dbraw/zinc/35/71/80/838357180.db2.gz WZGIXZRKBOXZQU-GJZGRUSLSA-N 1 1 344.415 0.543 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(=O)NC)nc1 ZINC001267717275 838357184 /nfs/dbraw/zinc/35/71/84/838357184.db2.gz WZGIXZRKBOXZQU-GJZGRUSLSA-N 1 1 344.415 0.543 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001267724738 838389181 /nfs/dbraw/zinc/38/91/81/838389181.db2.gz LTRRTJXONIXNIZ-ZDUSSCGKSA-N 1 1 348.451 0.290 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267725795 838395046 /nfs/dbraw/zinc/39/50/46/838395046.db2.gz CYHYCXPAXXXPHR-DOTOQJQBSA-N 1 1 348.491 0.886 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001267751227 838472276 /nfs/dbraw/zinc/47/22/76/838472276.db2.gz ZZPSBKGRTJMTBY-OAHLLOKOSA-N 1 1 344.415 0.719 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001267751227 838472280 /nfs/dbraw/zinc/47/22/80/838472280.db2.gz ZZPSBKGRTJMTBY-OAHLLOKOSA-N 1 1 344.415 0.719 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3nnnn3c2)C1 ZINC001267769335 838514659 /nfs/dbraw/zinc/51/46/59/838514659.db2.gz SKXCZAIUNCNJDT-AWEZNQCLSA-N 1 1 330.392 0.473 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001267776108 838539202 /nfs/dbraw/zinc/53/92/02/838539202.db2.gz DWUVNQBVOKTXCF-HNNXBMFYSA-N 1 1 346.431 0.790 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001267787115 838563593 /nfs/dbraw/zinc/56/35/93/838563593.db2.gz VNWIIADKQPIRLY-OAHLLOKOSA-N 1 1 333.432 0.862 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CCc2nccs2)C1 ZINC001267789178 838569149 /nfs/dbraw/zinc/56/91/49/838569149.db2.gz FZDVAWKSCULUNL-CQSZACIVSA-N 1 1 348.472 0.748 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2nccs2)C1 ZINC001267789178 838569158 /nfs/dbraw/zinc/56/91/58/838569158.db2.gz FZDVAWKSCULUNL-CQSZACIVSA-N 1 1 348.472 0.748 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2cn[nH]c2)C1 ZINC001267791910 838572310 /nfs/dbraw/zinc/57/23/10/838572310.db2.gz YKQXYRXAEPWYCY-GDBMZVCRSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CCc2cn[nH]c2)C1 ZINC001267791910 838572315 /nfs/dbraw/zinc/57/23/15/838572315.db2.gz YKQXYRXAEPWYCY-GDBMZVCRSA-N 1 1 345.447 0.403 20 30 ECEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001267942477 838827253 /nfs/dbraw/zinc/82/72/53/838827253.db2.gz HDRBLKXHHYZLMQ-OAHLLOKOSA-N 1 1 335.452 0.909 20 30 ECEDMO COCC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(=O)OC)CC2 ZINC001267972533 838902799 /nfs/dbraw/zinc/90/27/99/838902799.db2.gz JUWWMNRHGKFQFL-HZPDHXFCSA-N 1 1 348.443 0.760 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC2(CC[N@H+](Cc3cnn(C)n3)C2)CC1 ZINC001267973427 838904841 /nfs/dbraw/zinc/90/48/41/838904841.db2.gz PJPXBGCIGKJUIE-HNNXBMFYSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC2(CC[N@@H+](Cc3cnn(C)n3)C2)CC1 ZINC001267973427 838904846 /nfs/dbraw/zinc/90/48/46/838904846.db2.gz PJPXBGCIGKJUIE-HNNXBMFYSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC2(CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001267973608 838905936 /nfs/dbraw/zinc/90/59/36/838905936.db2.gz VLBUDSVBOFOKRU-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H](C)C[NH2+][C@@H](C)c2noc(C)n2)nn1 ZINC001268004844 838959830 /nfs/dbraw/zinc/95/98/30/838959830.db2.gz IHQOVBPTECHRLS-MNOVXSKESA-N 1 1 333.396 0.872 20 30 ECEDMO CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001408885612 838987847 /nfs/dbraw/zinc/98/78/47/838987847.db2.gz UMLKHKNPMWSGEZ-LSDHHAIUSA-N 1 1 338.452 0.610 20 30 ECEDMO CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001408885612 838987852 /nfs/dbraw/zinc/98/78/52/838987852.db2.gz UMLKHKNPMWSGEZ-LSDHHAIUSA-N 1 1 338.452 0.610 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001268024743 839014583 /nfs/dbraw/zinc/01/45/83/839014583.db2.gz KUMPRCCGXXFGCS-UONOGXRCSA-N 1 1 337.420 0.307 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001268030143 839049838 /nfs/dbraw/zinc/04/98/38/839049838.db2.gz NJHIBWJZKHYHGV-CQSZACIVSA-N 1 1 346.431 0.838 20 30 ECEDMO COC(=O)C1(C#N)CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC001421810683 839209841 /nfs/dbraw/zinc/20/98/41/839209841.db2.gz SBFIJSDPUBNZSI-CYBMUJFWSA-N 1 1 326.393 0.322 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000981012619 839337216 /nfs/dbraw/zinc/33/72/16/839337216.db2.gz FXAVSMNWWGTJOA-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000981012619 839337230 /nfs/dbraw/zinc/33/72/30/839337230.db2.gz FXAVSMNWWGTJOA-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000428250326 210253980 /nfs/dbraw/zinc/25/39/80/210253980.db2.gz ZMAYYQJLXRDUDR-UHFFFAOYSA-N 1 1 338.433 0.421 20 30 ECEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C#N)n2)[C@H](C)C1 ZINC000426747983 210162731 /nfs/dbraw/zinc/16/27/31/210162731.db2.gz TYCKJOKNWFPVRT-KGLIPLIRSA-N 1 1 334.424 0.403 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000178149568 530061756 /nfs/dbraw/zinc/06/17/56/530061756.db2.gz YDNHFLIHTWKROC-ZDUSSCGKSA-N 1 1 332.429 0.998 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccnnc3C)C2)C1=O ZINC000971869281 735281617 /nfs/dbraw/zinc/28/16/17/735281617.db2.gz KWNUMEYQYYNDOA-ZBFHGGJFSA-N 1 1 343.431 0.718 20 30 ECEDMO COC(=O)[C@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411915498 284115218 /nfs/dbraw/zinc/11/52/18/284115218.db2.gz LRLDBZGUOWBFFS-CABCVRRESA-N 1 1 330.388 0.121 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000178515959 291488274 /nfs/dbraw/zinc/48/82/74/291488274.db2.gz BMWGEQOCTFDCBK-UHFFFAOYSA-N 1 1 344.415 0.720 20 30 ECEDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000444176689 211056949 /nfs/dbraw/zinc/05/69/49/211056949.db2.gz QFDMBIZKTVERPH-UHFFFAOYSA-N 1 1 327.406 0.423 20 30 ECEDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000444176689 211056953 /nfs/dbraw/zinc/05/69/53/211056953.db2.gz QFDMBIZKTVERPH-UHFFFAOYSA-N 1 1 327.406 0.423 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041675704 781968797 /nfs/dbraw/zinc/96/87/97/781968797.db2.gz RDJNFAZLIJCSEN-HDMKZQKVSA-N 1 1 335.448 0.910 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001077940203 781974974 /nfs/dbraw/zinc/97/49/74/781974974.db2.gz LQWMQYBPLGLOQT-YSVLISHTSA-N 1 1 326.400 0.782 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001077940203 781974980 /nfs/dbraw/zinc/97/49/80/781974980.db2.gz LQWMQYBPLGLOQT-YSVLISHTSA-N 1 1 326.400 0.782 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000429395333 210315476 /nfs/dbraw/zinc/31/54/76/210315476.db2.gz STPBLSRPYUQRKS-HUUCEWRRSA-N 1 1 338.429 0.664 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000429395333 210315481 /nfs/dbraw/zinc/31/54/81/210315481.db2.gz STPBLSRPYUQRKS-HUUCEWRRSA-N 1 1 338.429 0.664 20 30 ECEDMO COCCOC[C@H](O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000295003347 254584844 /nfs/dbraw/zinc/58/48/44/254584844.db2.gz RZIFMUCNLJFEQT-MSOLQXFVSA-N 1 1 333.432 0.893 20 30 ECEDMO COC(=O)c1cn(CCNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)nn1 ZINC000330765120 254643093 /nfs/dbraw/zinc/64/30/93/254643093.db2.gz SPOFVWMLAZVIFG-WCQYABFASA-N 1 1 338.412 0.251 20 30 ECEDMO CO[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1OC ZINC000331125081 254648937 /nfs/dbraw/zinc/64/89/37/254648937.db2.gz QWLILIUOZIGMBJ-KFWWJZLASA-N 1 1 329.441 0.603 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000371982374 254744893 /nfs/dbraw/zinc/74/48/93/254744893.db2.gz ZXLSDRWLUHGCKQ-HNNXBMFYSA-N 1 1 338.452 0.309 20 30 ECEDMO COC[C@](C)(C#N)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000433966646 254794853 /nfs/dbraw/zinc/79/48/53/254794853.db2.gz INQWPVCGQLEQFU-SFHVURJKSA-N 1 1 330.432 0.849 20 30 ECEDMO CC(N=NC1=[NH+]CCN1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496971836 255146674 /nfs/dbraw/zinc/14/66/74/255146674.db2.gz CDDYZOUTNIOMAZ-OAHLLOKOSA-N 1 1 345.403 0.949 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000118116314 221121546 /nfs/dbraw/zinc/12/15/46/221121546.db2.gz XQXQPKNZBNJHGT-UHFFFAOYSA-N 1 1 338.795 0.845 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001077941445 781980558 /nfs/dbraw/zinc/98/05/58/781980558.db2.gz OKQYXDMPQYQFGB-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000329117535 286608906 /nfs/dbraw/zinc/60/89/06/286608906.db2.gz NZDFVEFBGQJRFH-LBPRGKRZSA-N 1 1 330.454 0.104 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000246796309 165142788 /nfs/dbraw/zinc/14/27/88/165142788.db2.gz PGWJSZRRCQPAEM-ZWKOTPCHSA-N 1 1 345.443 0.952 20 30 ECEDMO COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000278007457 263810264 /nfs/dbraw/zinc/81/02/64/263810264.db2.gz BGILAXZUKGPCGO-HOCLYGCPSA-N 1 1 334.420 0.488 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000283854427 264159942 /nfs/dbraw/zinc/15/99/42/264159942.db2.gz FUIGPIMCRNAUAI-CQSZACIVSA-N 1 1 346.431 0.820 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000284342275 264200901 /nfs/dbraw/zinc/20/09/01/264200901.db2.gz XYTKQCFFAYZJOF-UHFFFAOYSA-N 1 1 346.431 0.601 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000365015146 270007355 /nfs/dbraw/zinc/00/73/55/270007355.db2.gz GBDTYMGRUCEZTQ-DLBZAZTESA-N 1 1 349.456 0.919 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](CN2CCN(c3nnc(C)c(C)c3C#N)CC2)C1 ZINC000363961256 266153146 /nfs/dbraw/zinc/15/31/46/266153146.db2.gz KUTWAZJAHSKEIO-MRXNPFEDSA-N 1 1 344.463 0.808 20 30 ECEDMO CC[N@H+]1CCO[C@@H](CN2CCN(c3nnc(C)c(C)c3C#N)CC2)C1 ZINC000363961256 266153150 /nfs/dbraw/zinc/15/31/50/266153150.db2.gz KUTWAZJAHSKEIO-MRXNPFEDSA-N 1 1 344.463 0.808 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ncccc3C#N)CC2)C1 ZINC000369680199 266153676 /nfs/dbraw/zinc/15/36/76/266153676.db2.gz OHNDABYRRDNYDH-INIZCTEOSA-N 1 1 343.431 0.713 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ncccc3C#N)CC2)C1 ZINC000369680199 266153680 /nfs/dbraw/zinc/15/36/80/266153680.db2.gz OHNDABYRRDNYDH-INIZCTEOSA-N 1 1 343.431 0.713 20 30 ECEDMO CC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 ZINC000334135534 266155895 /nfs/dbraw/zinc/15/58/95/266155895.db2.gz YBRCHRNYQKWFCD-ZIAGYGMSSA-N 1 1 343.435 0.663 20 30 ECEDMO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)o3)[C@H]2C1 ZINC000292919109 266157177 /nfs/dbraw/zinc/15/71/77/266157177.db2.gz XUPSWXKRMNTSSY-QWHCGFSZSA-N 1 1 325.390 0.635 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)o3)[C@H]2C1 ZINC000292919109 266157180 /nfs/dbraw/zinc/15/71/80/266157180.db2.gz XUPSWXKRMNTSSY-QWHCGFSZSA-N 1 1 325.390 0.635 20 30 ECEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)cn2)C1 ZINC000294778630 266605682 /nfs/dbraw/zinc/60/56/82/266605682.db2.gz NSPHJTGSEFLAIQ-KBPBESRZSA-N 1 1 327.388 0.834 20 30 ECEDMO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000284067703 266618007 /nfs/dbraw/zinc/61/80/07/266618007.db2.gz MZYSDNNTOVDCJK-UHFFFAOYSA-N 1 1 338.433 0.585 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1-n1cnc(C#N)n1)N1CC[NH+](C)CC1 ZINC000366544048 267139570 /nfs/dbraw/zinc/13/95/70/267139570.db2.gz KFSJVWNMLCXELN-CYBMUJFWSA-N 1 1 339.403 0.713 20 30 ECEDMO C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000367288223 267164725 /nfs/dbraw/zinc/16/47/25/267164725.db2.gz WDSOQJXJUUNSIT-CQSZACIVSA-N 1 1 337.445 0.777 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000367288223 267164727 /nfs/dbraw/zinc/16/47/27/267164727.db2.gz WDSOQJXJUUNSIT-CQSZACIVSA-N 1 1 337.445 0.777 20 30 ECEDMO C[C@](O)(CNC(=O)CSc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000343545934 267256891 /nfs/dbraw/zinc/25/68/91/267256891.db2.gz BGMARVOKXQDVIH-KRWDZBQOSA-N 1 1 349.456 0.850 20 30 ECEDMO Cn1cc([C@H](CO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000358793717 267812026 /nfs/dbraw/zinc/81/20/26/267812026.db2.gz RCSUTGILKXSSCG-HNNXBMFYSA-N 1 1 334.401 0.389 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000368974540 268068021 /nfs/dbraw/zinc/06/80/21/268068021.db2.gz NYXSIGHMOJJNFV-UXLLHSPISA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000368974540 268068025 /nfs/dbraw/zinc/06/80/25/268068025.db2.gz NYXSIGHMOJJNFV-UXLLHSPISA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2=O)o1 ZINC000369972162 268076476 /nfs/dbraw/zinc/07/64/76/268076476.db2.gz DIDRKFMSBMJTBY-INIZCTEOSA-N 1 1 332.404 0.564 20 30 ECEDMO N#Cc1ccc(F)c(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000341308132 268102605 /nfs/dbraw/zinc/10/26/05/268102605.db2.gz CFIRMJNBMPVPSM-OAHLLOKOSA-N 1 1 347.394 0.836 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000370262662 268137455 /nfs/dbraw/zinc/13/74/55/268137455.db2.gz RVJSSBBCDOIHBO-AWEZNQCLSA-N 1 1 336.417 0.640 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C2)nc1 ZINC000366400320 268181790 /nfs/dbraw/zinc/18/17/90/268181790.db2.gz CUCZTJAUONDOSY-OAHLLOKOSA-N 1 1 330.388 0.702 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NC3CCOCC3)C2)nc1 ZINC000366400320 268181792 /nfs/dbraw/zinc/18/17/92/268181792.db2.gz CUCZTJAUONDOSY-OAHLLOKOSA-N 1 1 330.388 0.702 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000369811021 268250157 /nfs/dbraw/zinc/25/01/57/268250157.db2.gz OGROAGSVIBEUBC-SFHVURJKSA-N 1 1 342.443 0.971 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCN2CCN(c3[nH]cc[nH+]3)CC2)nc1 ZINC000519648319 268251243 /nfs/dbraw/zinc/25/12/43/268251243.db2.gz PLGSQYMLIKSPTD-UHFFFAOYSA-N 1 1 346.416 0.272 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000375841824 268262474 /nfs/dbraw/zinc/26/24/74/268262474.db2.gz PBDAHHLZTBAINT-CVEARBPZSA-N 1 1 342.399 0.554 20 30 ECEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(c3nc(=O)[nH][nH]3)CC2)c1 ZINC000288801930 268264925 /nfs/dbraw/zinc/26/49/25/268264925.db2.gz CZSGVNHCSYQNMV-UHFFFAOYSA-N 1 1 326.360 0.788 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357395949 268307926 /nfs/dbraw/zinc/30/79/26/268307926.db2.gz ZTVRQOHWWPGUNK-JTQLQIEISA-N 1 1 328.419 0.311 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357395949 268307927 /nfs/dbraw/zinc/30/79/27/268307927.db2.gz ZTVRQOHWWPGUNK-JTQLQIEISA-N 1 1 328.419 0.311 20 30 ECEDMO CC(C)C[C@H](CNC(=O)N1CCO[C@H](CO)C1)[NH+]1CCOCC1 ZINC000331180131 277477296 /nfs/dbraw/zinc/47/72/96/277477296.db2.gz LDRZKRVXGIDCHP-CABCVRRESA-N 1 1 329.441 0.340 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000329425400 288114502 /nfs/dbraw/zinc/11/45/02/288114502.db2.gz IOBJMZKIQOTRPD-XAGWURHQSA-N 1 1 335.408 0.214 20 30 ECEDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C([O-])=[NH+][C@@H]1CCc2ncnn2C1 ZINC000329654514 289044239 /nfs/dbraw/zinc/04/42/39/289044239.db2.gz LSJHGEZVULGSKT-MGPQQGTHSA-N 1 1 334.424 0.302 20 30 ECEDMO CCOC[C@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000330785810 437613768 /nfs/dbraw/zinc/61/37/68/437613768.db2.gz UNXRLHNPQTYRFA-AWEZNQCLSA-N 1 1 340.468 0.859 20 30 ECEDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCC(=O)N(C)C)C[C@@H](C)O1 ZINC000330632377 297013400 /nfs/dbraw/zinc/01/34/00/297013400.db2.gz HVDNRCHVHBVWBJ-KFWWJZLASA-N 1 1 340.468 0.952 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000374580652 298275820 /nfs/dbraw/zinc/27/58/20/298275820.db2.gz SNXIIPDSNLFTCM-OLZOCXBDSA-N 1 1 332.495 0.588 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c1 ZINC000072632828 436047989 /nfs/dbraw/zinc/04/79/89/436047989.db2.gz HYHFBABFBWQXMZ-CQSZACIVSA-N 1 1 336.417 0.640 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000023266474 436125474 /nfs/dbraw/zinc/12/54/74/436125474.db2.gz LXMMWQQHPAJIMD-INIZCTEOSA-N 1 1 333.432 0.346 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000074193745 436114542 /nfs/dbraw/zinc/11/45/42/436114542.db2.gz JJYPAVQICHHZCV-UHFFFAOYSA-N 1 1 342.443 0.925 20 30 ECEDMO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)N3CCOCC3)CC2)cc1 ZINC000074193745 436114550 /nfs/dbraw/zinc/11/45/50/436114550.db2.gz JJYPAVQICHHZCV-UHFFFAOYSA-N 1 1 342.443 0.925 20 30 ECEDMO N#Cc1ccc(CN2CCC[N@H+](CC(=O)N3CCOCC3)CC2)cc1 ZINC000074193745 436114553 /nfs/dbraw/zinc/11/45/53/436114553.db2.gz JJYPAVQICHHZCV-UHFFFAOYSA-N 1 1 342.443 0.925 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000027909348 436183959 /nfs/dbraw/zinc/18/39/59/436183959.db2.gz AIPUQLIKFITBEC-UHFFFAOYSA-N 1 1 330.388 0.762 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000027909348 436183966 /nfs/dbraw/zinc/18/39/66/436183966.db2.gz AIPUQLIKFITBEC-UHFFFAOYSA-N 1 1 330.388 0.762 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000077499412 436239923 /nfs/dbraw/zinc/23/99/23/436239923.db2.gz ZNOFEKBVWFEFNC-UHFFFAOYSA-N 1 1 333.367 0.983 20 30 ECEDMO CCNC(=O)CN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000029673390 436205335 /nfs/dbraw/zinc/20/53/35/436205335.db2.gz AVGPXEWWMRPKLO-UHFFFAOYSA-N 1 1 343.431 0.641 20 30 ECEDMO C=CCCC[N@@H+](C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000076734801 436216113 /nfs/dbraw/zinc/21/61/13/436216113.db2.gz BIETXJFAWYDDGS-UHFFFAOYSA-N 1 1 336.436 0.866 20 30 ECEDMO C=CCCC[N@H+](C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000076734801 436216117 /nfs/dbraw/zinc/21/61/17/436216117.db2.gz BIETXJFAWYDDGS-UHFFFAOYSA-N 1 1 336.436 0.866 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C2(C(N)=O)CCCC2)CC1 ZINC000089267133 436407714 /nfs/dbraw/zinc/40/77/14/436407714.db2.gz YLHRUGSNQYHVIS-OAHLLOKOSA-N 1 1 349.479 0.409 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)C2(C(N)=O)CCCC2)CC1 ZINC000089267133 436407716 /nfs/dbraw/zinc/40/77/16/436407716.db2.gz YLHRUGSNQYHVIS-OAHLLOKOSA-N 1 1 349.479 0.409 20 30 ECEDMO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000091235682 436446074 /nfs/dbraw/zinc/44/60/74/436446074.db2.gz XBJLWUYSHIDDSL-UHFFFAOYSA-N 1 1 334.424 0.905 20 30 ECEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000089820605 436418013 /nfs/dbraw/zinc/41/80/13/436418013.db2.gz RCNAFASBQKGSOR-OAHLLOKOSA-N 1 1 330.432 0.884 20 30 ECEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC000058580492 436627720 /nfs/dbraw/zinc/62/77/20/436627720.db2.gz JXQNKLXIPXICCZ-SFHVURJKSA-N 1 1 344.459 0.763 20 30 ECEDMO CN1CC[NH+](CCCCNS(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000106888940 436604888 /nfs/dbraw/zinc/60/48/88/436604888.db2.gz FABBZHKVLJZFIT-UHFFFAOYSA-N 1 1 337.449 0.259 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000114953666 436645148 /nfs/dbraw/zinc/64/51/48/436645148.db2.gz SWFSGRSTZAIUHJ-UHFFFAOYSA-N 1 1 339.484 0.346 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509778 436692793 /nfs/dbraw/zinc/69/27/93/436692793.db2.gz CEMRVSMWZCALAY-ZDUSSCGKSA-N 1 1 349.435 0.455 20 30 ECEDMO C=CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000067316247 436710620 /nfs/dbraw/zinc/71/06/20/436710620.db2.gz IUHRURDRRSCZSO-UHFFFAOYSA-N 1 1 330.388 0.315 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1ccc(CC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000270331535 436673137 /nfs/dbraw/zinc/67/31/37/436673137.db2.gz BTAAXIHNPLEHGI-MRXNPFEDSA-N 1 1 349.456 0.944 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194923960 436675441 /nfs/dbraw/zinc/67/54/41/436675441.db2.gz LTALLVXOIBMPDU-OKILXGFUSA-N 1 1 327.384 0.657 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000068445487 436745378 /nfs/dbraw/zinc/74/53/78/436745378.db2.gz OQLXSKATVYQCEP-UHFFFAOYSA-N 1 1 346.431 0.409 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000068445581 436745717 /nfs/dbraw/zinc/74/57/17/436745717.db2.gz ZVJPNFGBBIIBQI-UHFFFAOYSA-N 1 1 346.431 0.409 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000124324908 436747931 /nfs/dbraw/zinc/74/79/31/436747931.db2.gz AHYYTQZGLQMEOO-YGRLFVJLSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000124324908 436747934 /nfs/dbraw/zinc/74/79/34/436747934.db2.gz AHYYTQZGLQMEOO-YGRLFVJLSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@]1(O)CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000245644151 436766862 /nfs/dbraw/zinc/76/68/62/436766862.db2.gz FFPPUJGEVGJXBQ-RHSMWYFYSA-N 1 1 348.472 0.914 20 30 ECEDMO C=CCN(CCOC)C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000248964628 436814035 /nfs/dbraw/zinc/81/40/35/436814035.db2.gz HDRGDWIYWNXEAY-HOTGVXAUSA-N 1 1 337.464 0.980 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NC(=O)NC(C)(C)C ZINC000125482651 436770479 /nfs/dbraw/zinc/77/04/79/436770479.db2.gz IJWAOIZOFKUZFA-UHFFFAOYSA-N 1 1 335.412 0.352 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000293376727 436872150 /nfs/dbraw/zinc/87/21/50/436872150.db2.gz MPDNTQXEERILNO-UHFFFAOYSA-N 1 1 332.360 0.913 20 30 ECEDMO CC[C@]1(CO)CCC[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000251780034 436829085 /nfs/dbraw/zinc/82/90/85/436829085.db2.gz LIIBBJPDVBDDFV-SJLPKXTDSA-N 1 1 336.480 0.916 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000252496008 436834772 /nfs/dbraw/zinc/83/47/72/436834772.db2.gz CZNRMLNRCDZSQU-IAGOWNOFSA-N 1 1 328.416 0.726 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000252496008 436834776 /nfs/dbraw/zinc/83/47/76/436834776.db2.gz CZNRMLNRCDZSQU-IAGOWNOFSA-N 1 1 328.416 0.726 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1 ZINC000130394396 436836713 /nfs/dbraw/zinc/83/67/13/436836713.db2.gz ABWGAVJCFQFDJS-UHFFFAOYSA-N 1 1 328.416 0.699 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cnc(C)c(C(=O)OC)c1 ZINC000293817433 436911758 /nfs/dbraw/zinc/91/17/58/436911758.db2.gz ORGZPNOJCZUXRJ-UHFFFAOYSA-N 1 1 339.417 0.410 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160729894 436877712 /nfs/dbraw/zinc/87/77/12/436877712.db2.gz ACAAXKZQYHZGNJ-INIZCTEOSA-N 1 1 349.479 0.100 20 30 ECEDMO CCOC(=O)CON=C(C(=O)NC[C@@H](C)C[NH+](C)C)c1ccn[nH]1 ZINC000293701062 436901204 /nfs/dbraw/zinc/90/12/04/436901204.db2.gz INLOGAZVEWEBLR-NUSFMGPTSA-N 1 1 339.396 0.007 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000293757258 436906633 /nfs/dbraw/zinc/90/66/33/436906633.db2.gz JOXXNMNTWLKFRI-UHFFFAOYSA-N 1 1 337.445 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCC)[C@H](CC(=O)NCCC)C(N)=O)C1=O ZINC000281416538 436968048 /nfs/dbraw/zinc/96/80/48/436968048.db2.gz RKJPIAUTYHPYFR-ZIAGYGMSSA-N 1 1 338.452 0.256 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCC)[C@H](CC(=O)NCCC)C(N)=O)C1=O ZINC000281416538 436968051 /nfs/dbraw/zinc/96/80/51/436968051.db2.gz RKJPIAUTYHPYFR-ZIAGYGMSSA-N 1 1 338.452 0.256 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000281250757 436958414 /nfs/dbraw/zinc/95/84/14/436958414.db2.gz MNEJDVDQLVTBQD-INIZCTEOSA-N 1 1 338.415 0.720 20 30 ECEDMO [NH2+]=C(NCCCCN1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000264084727 437017383 /nfs/dbraw/zinc/01/73/83/437017383.db2.gz IWIIEAHEHAGSQB-UHFFFAOYSA-N 1 1 347.467 0.026 20 30 ECEDMO COc1cc[nH+]c(N2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000264211111 437018227 /nfs/dbraw/zinc/01/82/27/437018227.db2.gz SGXIQZUMYIWNGL-AWEZNQCLSA-N 1 1 331.420 0.973 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000297906388 437020057 /nfs/dbraw/zinc/02/00/57/437020057.db2.gz SKJAJWYBPUDKSJ-UHFFFAOYSA-N 1 1 343.427 0.821 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000297906388 437020060 /nfs/dbraw/zinc/02/00/60/437020060.db2.gz SKJAJWYBPUDKSJ-UHFFFAOYSA-N 1 1 343.427 0.821 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000172735900 437026630 /nfs/dbraw/zinc/02/66/30/437026630.db2.gz YGZJDVHDSMCFMH-MRXNPFEDSA-N 1 1 332.379 0.677 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000172735900 437026631 /nfs/dbraw/zinc/02/66/31/437026631.db2.gz YGZJDVHDSMCFMH-MRXNPFEDSA-N 1 1 332.379 0.677 20 30 ECEDMO N#C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CCO1 ZINC000264423871 437027246 /nfs/dbraw/zinc/02/72/46/437027246.db2.gz VEWPNVKECOTGGF-IRXDYDNUSA-N 1 1 329.400 0.935 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)N2CCN(C)CC2)c1 ZINC000283396744 437029679 /nfs/dbraw/zinc/02/96/79/437029679.db2.gz DOZAPSMCVOGYTN-UHFFFAOYSA-N 1 1 342.443 0.702 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)N2CCN(C)CC2)c1 ZINC000283396744 437029682 /nfs/dbraw/zinc/02/96/82/437029682.db2.gz DOZAPSMCVOGYTN-UHFFFAOYSA-N 1 1 342.443 0.702 20 30 ECEDMO N#CCOc1ccccc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000264504972 437039521 /nfs/dbraw/zinc/03/95/21/437039521.db2.gz KSZSQSPHHITKLM-CQSZACIVSA-N 1 1 330.388 0.659 20 30 ECEDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000173429193 437051090 /nfs/dbraw/zinc/05/10/90/437051090.db2.gz JSOKYTCBNCPVPX-UHFFFAOYSA-N 1 1 329.397 0.944 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000284410094 437053835 /nfs/dbraw/zinc/05/38/35/437053835.db2.gz XCJQFMXASOIDJW-CABCVRRESA-N 1 1 334.420 0.795 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](CCO)CCCO)c(OC)c1 ZINC000264638306 437057210 /nfs/dbraw/zinc/05/72/10/437057210.db2.gz UHEZNXHRPWXYMD-MRXNPFEDSA-N 1 1 339.432 0.840 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 ZINC000175610685 437109630 /nfs/dbraw/zinc/10/96/30/437109630.db2.gz CFGUHZJKRLBDEK-UHFFFAOYSA-N 1 1 343.431 0.903 20 30 ECEDMO CN(Cc1nccc(N)n1)[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000276791555 437162146 /nfs/dbraw/zinc/16/21/46/437162146.db2.gz SXECXMDJBJEJBI-AWEZNQCLSA-N 1 1 325.420 0.975 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H](C)O)C2)CC1 ZINC000305781456 437164077 /nfs/dbraw/zinc/16/40/77/437164077.db2.gz UQNNRIUXWFVEKL-BBWFWOEESA-N 1 1 336.480 0.772 20 30 ECEDMO CCc1nnc(NC[C@](C)(O)C[NH+]2CCOCC2)c(C#N)c1CC ZINC000301651264 437128403 /nfs/dbraw/zinc/12/84/03/437128403.db2.gz SDIMIRZUQBIACY-KRWDZBQOSA-N 1 1 333.436 0.968 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000331909321 437178610 /nfs/dbraw/zinc/17/86/10/437178610.db2.gz KNEHBHRIHNMJQS-CQSZACIVSA-N 1 1 346.435 0.061 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000331909321 437178615 /nfs/dbraw/zinc/17/86/15/437178615.db2.gz KNEHBHRIHNMJQS-CQSZACIVSA-N 1 1 346.435 0.061 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)NCC2(S(C)(=O)=O)CCC2)CC1 ZINC000331982248 437190452 /nfs/dbraw/zinc/19/04/52/437190452.db2.gz SWIIBISMVCIXGS-UHFFFAOYSA-N 1 1 329.466 0.903 20 30 ECEDMO N#CCCn1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC000277426708 437218729 /nfs/dbraw/zinc/21/87/29/437218729.db2.gz FWCHPXTYPIDKAK-AWEZNQCLSA-N 1 1 344.419 0.868 20 30 ECEDMO C#CC[NH+]1CCC(c2nc(CN3C(=O)NC(C)(C)C3=O)no2)CC1 ZINC000277767975 437251659 /nfs/dbraw/zinc/25/16/59/437251659.db2.gz DLUAJUNRVAHGSY-UHFFFAOYSA-N 1 1 331.376 0.713 20 30 ECEDMO CNC(=O)NC1CN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000328713454 437255581 /nfs/dbraw/zinc/25/55/81/437255581.db2.gz RZMKTGYFTNCKBA-CYBMUJFWSA-N 1 1 327.429 0.075 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)c2ccc3n[nH]c(=O)n3c2)CC1(C)C ZINC000328727243 437258332 /nfs/dbraw/zinc/25/83/32/437258332.db2.gz UZRXYLMGOOXJDE-UHFFFAOYSA-N 1 1 332.408 0.766 20 30 ECEDMO CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000329053490 437309931 /nfs/dbraw/zinc/30/99/31/437309931.db2.gz AGXJOMJPESCHDE-WCQYABFASA-N 1 1 344.481 0.744 20 30 ECEDMO Cn1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000329072574 437312821 /nfs/dbraw/zinc/31/28/21/437312821.db2.gz ZNBGSKCPFFZPDY-AWEZNQCLSA-N 1 1 334.424 0.073 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C2)C1 ZINC001041727952 782068281 /nfs/dbraw/zinc/06/82/81/782068281.db2.gz ASYRPGIBSMUODY-LPHOPBHVSA-N 1 1 329.444 0.945 20 30 ECEDMO CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000328901174 437281300 /nfs/dbraw/zinc/28/13/00/437281300.db2.gz YTCHNSUCZVSJES-DGCLKSJQSA-N 1 1 335.495 0.457 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000333972769 437291481 /nfs/dbraw/zinc/29/14/81/437291481.db2.gz YLVRPLNWHJRPBU-DGAVXFQQSA-N 1 1 325.409 0.249 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000328967138 437293862 /nfs/dbraw/zinc/29/38/62/437293862.db2.gz NGLNDEADWIACMC-LSDHHAIUSA-N 1 1 345.399 0.877 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)NCC(=O)N(C)C2CCCCC2)CC1 ZINC000329258223 437343243 /nfs/dbraw/zinc/34/32/43/437343243.db2.gz CHNFAXCVGKRHES-AWEZNQCLSA-N 1 1 340.468 0.690 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3CC[N@@H+](C)C[C@@H]31)CC2 ZINC000329284331 437346549 /nfs/dbraw/zinc/34/65/49/437346549.db2.gz NVZPDNQVUPBVPT-MJBXVCDLSA-N 1 1 348.451 0.679 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]3CC[N@@H+](C)C[C@@H]31)CC2 ZINC000329284331 437346558 /nfs/dbraw/zinc/34/65/58/437346558.db2.gz NVZPDNQVUPBVPT-MJBXVCDLSA-N 1 1 348.451 0.679 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCNC(=O)C2)[C@H](C)C1 ZINC000329321313 437351650 /nfs/dbraw/zinc/35/16/50/437351650.db2.gz UJVUDPOFTZUUNF-KGLIPLIRSA-N 1 1 325.457 0.835 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000288824499 437360409 /nfs/dbraw/zinc/36/04/09/437360409.db2.gz PFWBJPQKYDBXIV-UHFFFAOYSA-N 1 1 345.447 0.839 20 30 ECEDMO CN(CCCN(C)C(=O)C(=O)Nc1ccc(C#N)cc1)CC[NH+](C)C ZINC000288824499 437360412 /nfs/dbraw/zinc/36/04/12/437360412.db2.gz PFWBJPQKYDBXIV-UHFFFAOYSA-N 1 1 345.447 0.839 20 30 ECEDMO Cc1nc2ccc(NC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)cn2n1 ZINC000329398689 437364396 /nfs/dbraw/zinc/36/43/96/437364396.db2.gz AKRLITRCDWLGNQ-INIZCTEOSA-N 1 1 348.407 0.447 20 30 ECEDMO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(=O)c2ccccc21 ZINC000329445449 437369416 /nfs/dbraw/zinc/36/94/16/437369416.db2.gz LSPIXGCGGZMIOA-GFCCVEGCSA-N 1 1 329.404 0.484 20 30 ECEDMO Cn1nc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(=O)c2ccccc21 ZINC000329445449 437369419 /nfs/dbraw/zinc/36/94/19/437369419.db2.gz LSPIXGCGGZMIOA-GFCCVEGCSA-N 1 1 329.404 0.484 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@H]2CCc3nc(C)nn3C2)[N@@H+](C)C1 ZINC000329130653 437323176 /nfs/dbraw/zinc/32/31/76/437323176.db2.gz OMQBNTJGESNJOR-IHRRRGAJSA-N 1 1 336.440 0.466 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCc3nc(C)nn3C2)[N@H+](C)C1 ZINC000329130653 437323179 /nfs/dbraw/zinc/32/31/79/437323179.db2.gz OMQBNTJGESNJOR-IHRRRGAJSA-N 1 1 336.440 0.466 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCc3nc(C)nn3C2)[N@@H+](C)C1 ZINC000329130653 437323181 /nfs/dbraw/zinc/32/31/81/437323181.db2.gz OMQBNTJGESNJOR-IHRRRGAJSA-N 1 1 336.440 0.466 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)C1 ZINC000329198667 437333791 /nfs/dbraw/zinc/33/37/91/437333791.db2.gz APLRDGIAZNNXQT-ZNMIVQPWSA-N 1 1 327.425 0.501 20 30 ECEDMO C[C@H](CNC(=O)NC[C@H]1CN(C)CCN1C)[NH+]1CCC(C)CC1 ZINC000329228119 437336449 /nfs/dbraw/zinc/33/64/49/437336449.db2.gz AHWLFPHHXGRUBN-CVEARBPZSA-N 1 1 325.501 0.856 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000337171196 437337993 /nfs/dbraw/zinc/33/79/93/437337993.db2.gz FRANCOHGBZULCK-CQSZACIVSA-N 1 1 332.470 0.365 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000337160918 437338149 /nfs/dbraw/zinc/33/81/49/437338149.db2.gz UBNQUMNPHPFULD-UONOGXRCSA-N 1 1 344.481 0.508 20 30 ECEDMO C[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)C[NH+]1CCOCC1 ZINC000329241528 437338625 /nfs/dbraw/zinc/33/86/25/437338625.db2.gz RSGPWRAUFDFQFY-OAGGEKHMSA-N 1 1 341.452 0.749 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCCOC3)CC2)CC1 ZINC000329702894 437403409 /nfs/dbraw/zinc/40/34/09/437403409.db2.gz IKMYBPFTVXQXAT-HNNXBMFYSA-N 1 1 338.452 0.565 20 30 ECEDMO C#CC[NH+]1CCC(c2nc(-c3cn(CC)c(=O)[nH]c3=O)no2)CC1 ZINC000289344699 437403824 /nfs/dbraw/zinc/40/38/24/437403824.db2.gz GSEWQJZNZBGDGQ-UHFFFAOYSA-N 1 1 329.360 0.831 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCCOC3)CC2)CC1 ZINC000329731640 437408089 /nfs/dbraw/zinc/40/80/89/437408089.db2.gz IKMYBPFTVXQXAT-OAHLLOKOSA-N 1 1 338.452 0.565 20 30 ECEDMO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000329807233 437416652 /nfs/dbraw/zinc/41/66/52/437416652.db2.gz BIKBHULIYZVDNX-APIJFGDWSA-N 1 1 329.441 0.481 20 30 ECEDMO C[C@@H]1CS(=O)(=O)CCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000329823173 437418443 /nfs/dbraw/zinc/41/84/43/437418443.db2.gz ZJQKGAIUIKWHPT-YPMHNXCESA-N 1 1 335.495 0.457 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000289080427 437381482 /nfs/dbraw/zinc/38/14/82/437381482.db2.gz FZYBHBRQEJGKHR-UHFFFAOYSA-N 1 1 345.428 0.944 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(Nc2cccnn2)CC1 ZINC000329569025 437385739 /nfs/dbraw/zinc/38/57/39/437385739.db2.gz LTWUGPLHOSAOAA-CQSZACIVSA-N 1 1 330.436 1.504 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1nc2c(s1)COCC2 ZINC000329592095 437386811 /nfs/dbraw/zinc/38/68/11/437386811.db2.gz NYKTWUSNLNLZHN-SNVBAGLBSA-N 1 1 325.438 0.788 20 30 ECEDMO CC(C)N1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1=O ZINC000329597959 437388635 /nfs/dbraw/zinc/38/86/35/437388635.db2.gz JDDRFOYUKICBID-QLFBSQMISA-N 1 1 338.452 0.705 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)S1(=O)=O ZINC000329604999 437389912 /nfs/dbraw/zinc/38/99/12/437389912.db2.gz LYQAXQVDPKAETO-UPJWGTAASA-N 1 1 329.466 0.892 20 30 ECEDMO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000338264366 437400507 /nfs/dbraw/zinc/40/05/07/437400507.db2.gz NFEMBIHIHHPOBE-HNNXBMFYSA-N 1 1 349.460 0.357 20 30 ECEDMO CC(C)N1C[C@@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000330233246 437472862 /nfs/dbraw/zinc/47/28/62/437472862.db2.gz FXINOMMWHLCMBE-CABCVRRESA-N 1 1 339.484 0.383 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000329979575 437442074 /nfs/dbraw/zinc/44/20/74/437442074.db2.gz JVOLKTXKQOFKHV-WBVHZDCISA-N 1 1 340.468 0.418 20 30 ECEDMO Cc1nnccc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000330100598 437454019 /nfs/dbraw/zinc/45/40/19/437454019.db2.gz DOKGKAJXLPGCFS-CQSZACIVSA-N 1 1 332.408 0.569 20 30 ECEDMO Cn1nc(CCNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)c2ccccc21 ZINC000330093440 437454261 /nfs/dbraw/zinc/45/42/61/437454261.db2.gz RNNWMRGYZJRQPX-AWEZNQCLSA-N 1 1 344.463 0.865 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000186123952 437460539 /nfs/dbraw/zinc/46/05/39/437460539.db2.gz PFQCGAZNKVTOJR-CQSZACIVSA-N 1 1 348.428 0.143 20 30 ECEDMO C=C(C)[C@H](CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)OCC ZINC000339444571 437466671 /nfs/dbraw/zinc/46/66/71/437466671.db2.gz PAQUTKHYQBNERQ-GJZGRUSLSA-N 1 1 346.493 0.935 20 30 ECEDMO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)N(CCC#N)CCOC)C[C@H]1C ZINC000330375515 437495306 /nfs/dbraw/zinc/49/53/06/437495306.db2.gz NWTDAMUZVQKUMG-ZIAGYGMSSA-N 1 1 332.470 0.508 20 30 ECEDMO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)N(CCC#N)CCOC)C[C@H]1C ZINC000330375515 437495310 /nfs/dbraw/zinc/49/53/10/437495310.db2.gz NWTDAMUZVQKUMG-ZIAGYGMSSA-N 1 1 332.470 0.508 20 30 ECEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)CNc2ccc(C#N)cn2)CC1 ZINC000354513353 437631693 /nfs/dbraw/zinc/63/16/93/437631693.db2.gz PRCJFOWUERAHDU-UHFFFAOYSA-N 1 1 344.463 0.897 20 30 ECEDMO COc1cc(CNC(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1C#N ZINC000360638455 437632853 /nfs/dbraw/zinc/63/28/53/437632853.db2.gz ZUXXXLBBQNDVMU-ZDUSSCGKSA-N 1 1 332.404 0.775 20 30 ECEDMO C=CCOCC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000354649624 437644596 /nfs/dbraw/zinc/64/45/96/437644596.db2.gz AAPWGYXHZKBSAS-UHFFFAOYSA-N 1 1 331.416 0.893 20 30 ECEDMO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000330909664 437647818 /nfs/dbraw/zinc/64/78/18/437647818.db2.gz GKCBGDFDLBQUOC-UHFFFAOYSA-N 1 1 326.397 0.716 20 30 ECEDMO C=CC[N@@H+](CCOC)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000191076570 437647839 /nfs/dbraw/zinc/64/78/39/437647839.db2.gz AKHDQWASXIONKA-UHFFFAOYSA-N 1 1 337.464 0.982 20 30 ECEDMO C=CC[N@H+](CCOC)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000191076570 437647844 /nfs/dbraw/zinc/64/78/44/437647844.db2.gz AKHDQWASXIONKA-UHFFFAOYSA-N 1 1 337.464 0.982 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000343778400 437655129 /nfs/dbraw/zinc/65/51/29/437655129.db2.gz KKONWIFWUVFADQ-LBPRGKRZSA-N 1 1 333.436 0.532 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000330972597 437661796 /nfs/dbraw/zinc/66/17/96/437661796.db2.gz HXUKRXOURFFTQA-KGLIPLIRSA-N 1 1 341.456 0.410 20 30 ECEDMO COC(=O)CNC(=O)CC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292182313 437668332 /nfs/dbraw/zinc/66/83/32/437668332.db2.gz MOFZWDWZIKVKBH-ZDUSSCGKSA-N 1 1 332.360 0.086 20 30 ECEDMO COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292212556 437670364 /nfs/dbraw/zinc/67/03/64/437670364.db2.gz OMOGFAAMLZRVPH-CYBMUJFWSA-N 1 1 332.360 0.086 20 30 ECEDMO COC(=O)CCNC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292212556 437670367 /nfs/dbraw/zinc/67/03/67/437670367.db2.gz OMOGFAAMLZRVPH-CYBMUJFWSA-N 1 1 332.360 0.086 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000192476849 437677878 /nfs/dbraw/zinc/67/78/78/437677878.db2.gz BCBSLMAPQGPXTG-GASCZTMLSA-N 1 1 347.440 0.232 20 30 ECEDMO C#CC[N@@H+](C)CCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000292778242 437722347 /nfs/dbraw/zinc/72/23/47/437722347.db2.gz LPDKMABZHXTYRD-UHFFFAOYSA-N 1 1 326.378 0.609 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCCCCC#N)CC1 ZINC000340772925 437727393 /nfs/dbraw/zinc/72/73/93/437727393.db2.gz KLIFQFGUDJTSNP-HNNXBMFYSA-N 1 1 337.468 0.186 20 30 ECEDMO CN(C)S(=O)(=O)CC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344072439 437728793 /nfs/dbraw/zinc/72/87/93/437728793.db2.gz ORQOLCWGYDUXNX-UHFFFAOYSA-N 1 1 325.434 0.898 20 30 ECEDMO CN(C)S(=O)(=O)CC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344072439 437728796 /nfs/dbraw/zinc/72/87/96/437728796.db2.gz ORQOLCWGYDUXNX-UHFFFAOYSA-N 1 1 325.434 0.898 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC(C#N)CC2)CC1 ZINC000340776805 437729475 /nfs/dbraw/zinc/72/94/75/437729475.db2.gz PBSMUKDGTNHNPA-OAHLLOKOSA-N 1 1 349.479 0.138 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)N2CCC[C@@H](OCCO)C2)CC1(C)C ZINC000331271450 437730258 /nfs/dbraw/zinc/73/02/58/437730258.db2.gz NIGGAEQHEIJPOW-OAHLLOKOSA-N 1 1 342.484 0.400 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000331289813 437733847 /nfs/dbraw/zinc/73/38/47/437733847.db2.gz JHFRKAWPYBEWDV-KGLIPLIRSA-N 1 1 346.497 0.631 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)(N(C)C)CC2)C[N@H+]1C1CC1 ZINC000331376461 437748266 /nfs/dbraw/zinc/74/82/66/437748266.db2.gz GZCSJJAVMBUELR-KGLIPLIRSA-N 1 1 347.463 0.174 20 30 ECEDMO Cn1ncc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1C#N ZINC000356741415 437821512 /nfs/dbraw/zinc/82/15/12/437821512.db2.gz RWBHXTBEXJMJDD-HNNXBMFYSA-N 1 1 339.399 0.788 20 30 ECEDMO C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000345312342 437785759 /nfs/dbraw/zinc/78/57/59/437785759.db2.gz SGDNHUFBEFBGRD-AWEZNQCLSA-N 1 1 329.466 0.789 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000345312342 437785763 /nfs/dbraw/zinc/78/57/63/437785763.db2.gz SGDNHUFBEFBGRD-AWEZNQCLSA-N 1 1 329.466 0.789 20 30 ECEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCCn1cnc(C#N)n1 ZINC000345565843 437792622 /nfs/dbraw/zinc/79/26/22/437792622.db2.gz MMUOQWHJNVXGGO-AWEZNQCLSA-N 1 1 333.440 0.959 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000363521182 437794146 /nfs/dbraw/zinc/79/41/46/437794146.db2.gz XOBDNVUQASZIMS-HZPDHXFCSA-N 1 1 335.452 0.479 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC000365241657 437880107 /nfs/dbraw/zinc/88/01/07/437880107.db2.gz RWAPWADKZWLBNJ-IRXDYDNUSA-N 1 1 349.479 0.725 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371306199 437918212 /nfs/dbraw/zinc/91/82/12/437918212.db2.gz SJVLMUYIWDOZOU-NVXWUHKLSA-N 1 1 335.496 0.847 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371306199 437918216 /nfs/dbraw/zinc/91/82/16/437918216.db2.gz SJVLMUYIWDOZOU-NVXWUHKLSA-N 1 1 335.496 0.847 20 30 ECEDMO C[C@@](CO)([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(O)c1 ZINC000347713608 437938632 /nfs/dbraw/zinc/93/86/32/437938632.db2.gz BQJWHZUKFHDETC-KRWDZBQOSA-N 1 1 330.388 0.845 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000416475403 437941388 /nfs/dbraw/zinc/94/13/88/437941388.db2.gz UJOMGLZOAGVBHS-GDBMZVCRSA-N 1 1 337.445 0.797 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000365747802 437962619 /nfs/dbraw/zinc/96/26/19/437962619.db2.gz FPRORMHODSKYNB-UHFFFAOYSA-N 1 1 347.459 0.619 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357392569 437978180 /nfs/dbraw/zinc/97/81/80/437978180.db2.gz RTGSEBLGHLUMAP-CABCVRRESA-N 1 1 340.445 0.518 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357392569 437978182 /nfs/dbraw/zinc/97/81/82/437978182.db2.gz RTGSEBLGHLUMAP-CABCVRRESA-N 1 1 340.445 0.518 20 30 ECEDMO C#CCCCCNC(=O)N1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000371956984 438014879 /nfs/dbraw/zinc/01/48/79/438014879.db2.gz LOTLVZQZQAHASM-KRWDZBQOSA-N 1 1 336.480 0.838 20 30 ECEDMO C#CCCCCNC(=O)N1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000371956984 438014883 /nfs/dbraw/zinc/01/48/83/438014883.db2.gz LOTLVZQZQAHASM-KRWDZBQOSA-N 1 1 336.480 0.838 20 30 ECEDMO C=CCCCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000342484066 438019503 /nfs/dbraw/zinc/01/95/03/438019503.db2.gz SFUCVNZCDONSTG-UHFFFAOYSA-N 1 1 325.453 0.886 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000357667087 438040223 /nfs/dbraw/zinc/04/02/23/438040223.db2.gz ZZAOLJIYRKGUOS-CQSZACIVSA-N 1 1 337.445 0.975 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000425908884 438046242 /nfs/dbraw/zinc/04/62/42/438046242.db2.gz KVOVFSSUBBTFMG-VGWMRTNUSA-N 1 1 337.464 0.930 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(CCC[N@H+]2CCCO[C@@H](C)C2)C1=O ZINC000348618230 438080979 /nfs/dbraw/zinc/08/09/79/438080979.db2.gz YDKCYGDATMOFLO-UONOGXRCSA-N 1 1 325.409 0.610 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372274635 438059190 /nfs/dbraw/zinc/05/91/90/438059190.db2.gz PWJUPBOYWWEAHD-CHWSQXEVSA-N 1 1 333.436 0.982 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372274635 438059193 /nfs/dbraw/zinc/05/91/93/438059193.db2.gz PWJUPBOYWWEAHD-CHWSQXEVSA-N 1 1 333.436 0.982 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)N(CC)CCC#N ZINC000372291004 438064446 /nfs/dbraw/zinc/06/44/46/438064446.db2.gz ZSXSWOJUKUBPKY-KBPBESRZSA-N 1 1 325.409 0.791 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)N(CC)CCC#N ZINC000372291004 438064450 /nfs/dbraw/zinc/06/44/50/438064450.db2.gz ZSXSWOJUKUBPKY-KBPBESRZSA-N 1 1 325.409 0.791 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000430398454 438110000 /nfs/dbraw/zinc/11/00/00/438110000.db2.gz IREVWUROYJHDET-JYJNAYRXSA-N 1 1 337.464 0.884 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)nn1CCC#N ZINC000349000680 438126069 /nfs/dbraw/zinc/12/60/69/438126069.db2.gz GABBBGVOHVUJOU-UONOGXRCSA-N 1 1 344.419 0.787 20 30 ECEDMO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1=O ZINC000366852147 438136067 /nfs/dbraw/zinc/13/60/67/438136067.db2.gz PHXNYZCMOYXJTE-HZPDHXFCSA-N 1 1 335.448 0.875 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000374580755 438218793 /nfs/dbraw/zinc/21/87/93/438218793.db2.gz UGGKCHRIRVDOAD-KFWWJZLASA-N 1 1 344.481 0.556 20 30 ECEDMO C[NH+]1CCN(C(=O)CN2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000367550719 438223287 /nfs/dbraw/zinc/22/32/87/438223287.db2.gz UIYBNICCIUZGDZ-QGZVFWFLSA-N 1 1 328.416 0.706 20 30 ECEDMO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)c2cccnc2C#N)CC1 ZINC000374714681 438226083 /nfs/dbraw/zinc/22/60/83/438226083.db2.gz CEWSVYKPXWELNT-UHFFFAOYSA-N 1 1 346.416 0.634 20 30 ECEDMO C[C@H](NC(=O)NCC(=O)NCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376310302 438277897 /nfs/dbraw/zinc/27/78/97/438277897.db2.gz QKOAOQYZCRWKNK-HOCLYGCPSA-N 1 1 343.431 0.836 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000377751848 438326218 /nfs/dbraw/zinc/32/62/18/438326218.db2.gz YAKQXWBWYVLJKE-INIZCTEOSA-N 1 1 348.472 0.959 20 30 ECEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000377047325 438300698 /nfs/dbraw/zinc/30/06/98/438300698.db2.gz GJFSDWIJSWWNMK-UHFFFAOYSA-N 1 1 343.431 0.852 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)nn1CCC#N ZINC000378490573 438394748 /nfs/dbraw/zinc/39/47/48/438394748.db2.gz DTNYJHLNIKAPHG-KGLIPLIRSA-N 1 1 344.419 0.596 20 30 ECEDMO C=CCOC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C(=O)OC ZINC000435933125 438393428 /nfs/dbraw/zinc/39/34/28/438393428.db2.gz BIBBNEXMVIYDLQ-GJZGRUSLSA-N 1 1 340.420 0.490 20 30 ECEDMO C=C(C)CC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000351854500 438350834 /nfs/dbraw/zinc/35/08/34/438350834.db2.gz GTVCVJNXBKWEHA-HUUCEWRRSA-N 1 1 331.482 0.924 20 30 ECEDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCCC#N ZINC000419646873 438365244 /nfs/dbraw/zinc/36/52/44/438365244.db2.gz JKPPWGLEQHTIPU-OAHLLOKOSA-N 1 1 344.415 0.978 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000419731241 438369631 /nfs/dbraw/zinc/36/96/31/438369631.db2.gz QTSJASCERBFSIN-IYBDPMFKSA-N 1 1 334.464 0.496 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000359213182 438380594 /nfs/dbraw/zinc/38/05/94/438380594.db2.gz IEPWLUXTJVQVBJ-CQSZACIVSA-N 1 1 329.466 0.855 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCC(=O)OC)C[C@@H]1CCCO1 ZINC000391192057 438438521 /nfs/dbraw/zinc/43/85/21/438438521.db2.gz SBWPOUNSIRZFJK-LBPRGKRZSA-N 1 1 327.381 0.042 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CCC(=O)OC)C[C@@H]1CCCO1 ZINC000391192057 438438526 /nfs/dbraw/zinc/43/85/26/438438526.db2.gz SBWPOUNSIRZFJK-LBPRGKRZSA-N 1 1 327.381 0.042 20 30 ECEDMO CS(=O)(=O)C1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000393708375 438444399 /nfs/dbraw/zinc/44/43/99/438444399.db2.gz ZZERXLLPWLCJSH-UHFFFAOYSA-N 1 1 342.442 0.499 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420370837 438403000 /nfs/dbraw/zinc/40/30/00/438403000.db2.gz CXMLCLUIMAEPOC-CFVMTHIKSA-N 1 1 338.452 0.605 20 30 ECEDMO CCOC(=O)c1cnn(C2CC[NH+](CC(=O)NCC#N)CC2)c1C ZINC000352353309 438411091 /nfs/dbraw/zinc/41/10/91/438411091.db2.gz VRAUXSZBISVZRQ-UHFFFAOYSA-N 1 1 333.392 0.645 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000437313362 438444734 /nfs/dbraw/zinc/44/47/34/438444734.db2.gz RFOIOJVHRZQSEC-ZDUSSCGKSA-N 1 1 346.435 1.074 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000437993217 438462776 /nfs/dbraw/zinc/46/27/76/438462776.db2.gz DGAMQDZTGXNOTN-GDBMZVCRSA-N 1 1 338.452 0.431 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCN2C1=O ZINC000369440485 438474215 /nfs/dbraw/zinc/47/42/15/438474215.db2.gz QJGYVAOXPSBGMZ-CQSZACIVSA-N 1 1 341.371 0.465 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000407976488 438476212 /nfs/dbraw/zinc/47/62/12/438476212.db2.gz UHLCZQDXCLMGBG-STQMWFEESA-N 1 1 332.470 0.242 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000353388552 438504528 /nfs/dbraw/zinc/50/45/28/438504528.db2.gz QDDYPXHDEUQUCX-UHFFFAOYSA-N 1 1 342.465 0.154 20 30 ECEDMO CN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000353313742 438505661 /nfs/dbraw/zinc/50/56/61/438505661.db2.gz BJMUBCVYZGTEPJ-INIZCTEOSA-N 1 1 326.400 0.983 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC000353497174 438507162 /nfs/dbraw/zinc/50/71/62/438507162.db2.gz DFDCJGYPGBIUMW-HUUCEWRRSA-N 1 1 338.452 0.612 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000408098750 438511594 /nfs/dbraw/zinc/51/15/94/438511594.db2.gz HLFDWLVVIYUMJE-ULQDDVLXSA-N 1 1 335.496 0.703 20 30 ECEDMO CNC(=O)[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422080835 438515158 /nfs/dbraw/zinc/51/51/58/438515158.db2.gz BJSUTLJVBQFFDF-JSGCOSHPSA-N 1 1 326.356 0.258 20 30 ECEDMO CNC(=O)[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422080835 438515161 /nfs/dbraw/zinc/51/51/61/438515161.db2.gz BJSUTLJVBQFFDF-JSGCOSHPSA-N 1 1 326.356 0.258 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NCCCCC#N)CC2)C1 ZINC000369859992 438523065 /nfs/dbraw/zinc/52/30/65/438523065.db2.gz DRTOXGYGIXZOSU-MRXNPFEDSA-N 1 1 337.468 0.728 20 30 ECEDMO CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)NCCCCC#N)CC2)C1 ZINC000369859992 438523069 /nfs/dbraw/zinc/52/30/69/438523069.db2.gz DRTOXGYGIXZOSU-MRXNPFEDSA-N 1 1 337.468 0.728 20 30 ECEDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@H]1C ZINC000441115893 438576903 /nfs/dbraw/zinc/57/69/03/438576903.db2.gz QIAGXBMOFPDGLZ-KGLIPLIRSA-N 1 1 346.435 0.985 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@H]1C ZINC000441115893 438576906 /nfs/dbraw/zinc/57/69/06/438576906.db2.gz QIAGXBMOFPDGLZ-KGLIPLIRSA-N 1 1 346.435 0.985 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000422487233 438578351 /nfs/dbraw/zinc/57/83/51/438578351.db2.gz JKOMFHMPKXONOS-CQSZACIVSA-N 1 1 336.436 0.223 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000370236814 438563390 /nfs/dbraw/zinc/56/33/90/438563390.db2.gz URQZXYUCZYSRHB-AWEZNQCLSA-N 1 1 325.409 0.658 20 30 ECEDMO C[N@@H+](CCOCCC#N)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451996049 438623963 /nfs/dbraw/zinc/62/39/63/438623963.db2.gz YRMFKIKUPDQPOG-UHFFFAOYSA-N 1 1 345.396 0.714 20 30 ECEDMO C=CCc1cc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cc(OC)c1O ZINC000443861317 438655939 /nfs/dbraw/zinc/65/59/39/438655939.db2.gz WRTAOTWRSIDFAK-ZDUSSCGKSA-N 1 1 326.418 0.992 20 30 ECEDMO C=CCc1cc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)cc(OC)c1O ZINC000443861317 438655943 /nfs/dbraw/zinc/65/59/43/438655943.db2.gz WRTAOTWRSIDFAK-ZDUSSCGKSA-N 1 1 326.418 0.992 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423537825 438685010 /nfs/dbraw/zinc/68/50/10/438685010.db2.gz LDKDNXVXVBMQBK-AWEZNQCLSA-N 1 1 344.415 0.683 20 30 ECEDMO N#CCc1cccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)c1 ZINC000453680725 438688355 /nfs/dbraw/zinc/68/83/55/438688355.db2.gz VINXBWHTJVABOK-UHFFFAOYSA-N 1 1 332.429 0.856 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1 ZINC000453738264 438692689 /nfs/dbraw/zinc/69/26/89/438692689.db2.gz RPADJEDBHGNIKR-CQSZACIVSA-N 1 1 344.415 0.720 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000453819909 438695876 /nfs/dbraw/zinc/69/58/76/438695876.db2.gz NYBCZPBMRHCFSD-OAHLLOKOSA-N 1 1 344.415 0.768 20 30 ECEDMO CCOC(=O)[C@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)CC12COC2 ZINC000451138207 438696933 /nfs/dbraw/zinc/69/69/33/438696933.db2.gz QFCBGUHNJINWPE-UONOGXRCSA-N 1 1 337.420 0.506 20 30 ECEDMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)CC12COC2 ZINC000451138207 438696936 /nfs/dbraw/zinc/69/69/36/438696936.db2.gz QFCBGUHNJINWPE-UONOGXRCSA-N 1 1 337.420 0.506 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1F ZINC000453821561 438697676 /nfs/dbraw/zinc/69/76/76/438697676.db2.gz PCMSGHBDXADKKK-CQSZACIVSA-N 1 1 348.378 0.599 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000453938832 438702373 /nfs/dbraw/zinc/70/23/73/438702373.db2.gz PUWVANZUHQWLSU-OKILXGFUSA-N 1 1 344.415 0.719 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000453938832 438702376 /nfs/dbraw/zinc/70/23/76/438702376.db2.gz PUWVANZUHQWLSU-OKILXGFUSA-N 1 1 344.415 0.719 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000451664911 438705185 /nfs/dbraw/zinc/70/51/85/438705185.db2.gz CTOPKCRXLCKZET-KGLIPLIRSA-N 1 1 332.470 0.149 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496311398 438742861 /nfs/dbraw/zinc/74/28/61/438742861.db2.gz RSWQKMMTMXCVPU-CHWSQXEVSA-N 1 1 342.440 0.564 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000575409705 438748694 /nfs/dbraw/zinc/74/86/94/438748694.db2.gz WJUBNRAHEHTCRW-HNNXBMFYSA-N 1 1 334.376 0.591 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000575409705 438748696 /nfs/dbraw/zinc/74/86/96/438748696.db2.gz WJUBNRAHEHTCRW-HNNXBMFYSA-N 1 1 334.376 0.591 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000576938493 438805481 /nfs/dbraw/zinc/80/54/81/438805481.db2.gz GPZPXQNTWSSTSI-UHFFFAOYSA-N 1 1 343.431 0.762 20 30 ECEDMO N#Cc1ncn(CC[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000507245497 438807407 /nfs/dbraw/zinc/80/74/07/438807407.db2.gz BKQBDKGIAFKTAN-GFCCVEGCSA-N 1 1 349.192 0.728 20 30 ECEDMO C=CCC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000456784751 438780637 /nfs/dbraw/zinc/78/06/37/438780637.db2.gz XRFZGYCZPGFWNQ-OAGGEKHMSA-N 1 1 337.464 0.763 20 30 ECEDMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ncc1C#N ZINC000457515461 438809650 /nfs/dbraw/zinc/80/96/50/438809650.db2.gz DYBDYHWVZTXGSA-CYBMUJFWSA-N 1 1 329.404 0.579 20 30 ECEDMO CC(C)C[N@H+]1CCCC[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000558561368 438812891 /nfs/dbraw/zinc/81/28/91/438812891.db2.gz CZKPKTLYYZJIGN-GJZGRUSLSA-N 1 1 344.481 0.556 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2CC(N)=O)cc1 ZINC000595523511 438814834 /nfs/dbraw/zinc/81/48/34/438814834.db2.gz RPZBSADZLDGFGR-CABCVRRESA-N 1 1 333.388 0.069 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2CC(N)=O)cc1 ZINC000595523511 438814839 /nfs/dbraw/zinc/81/48/39/438814839.db2.gz RPZBSADZLDGFGR-CABCVRRESA-N 1 1 333.388 0.069 20 30 ECEDMO C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000558664579 438818917 /nfs/dbraw/zinc/81/89/17/438818917.db2.gz QTYDBRCIAPMFKD-CQSZACIVSA-N 1 1 346.435 0.221 20 30 ECEDMO C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000558664579 438818921 /nfs/dbraw/zinc/81/89/21/438818921.db2.gz QTYDBRCIAPMFKD-CQSZACIVSA-N 1 1 346.435 0.221 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000588127451 438821884 /nfs/dbraw/zinc/82/18/84/438821884.db2.gz HXZLSKPLURZILW-CABCVRRESA-N 1 1 349.479 0.327 20 30 ECEDMO N#CC1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC2(CC2)C1 ZINC000601185139 438827442 /nfs/dbraw/zinc/82/74/42/438827442.db2.gz PEZBAEXGXMJLHE-HNNXBMFYSA-N 1 1 332.448 0.593 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1c(F)cccc1C#N ZINC000588751182 438840326 /nfs/dbraw/zinc/84/03/26/438840326.db2.gz GWIKWEDRMRWXDD-UHFFFAOYSA-N 1 1 332.379 0.472 20 30 ECEDMO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000560700631 438843254 /nfs/dbraw/zinc/84/32/54/438843254.db2.gz CMQDPHZVESZMAI-QMMMGPOBSA-N 1 1 332.330 0.795 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000595739862 438854454 /nfs/dbraw/zinc/85/44/54/438854454.db2.gz KZKRMFBVQPUONT-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO Cc1cc(NCC(C)(C)C(N)=O)c(C#N)c(NCC(C)(C)C(N)=O)[nH+]1 ZINC000589107603 438856292 /nfs/dbraw/zinc/85/62/92/438856292.db2.gz GKPPMBKHDAOWSA-UHFFFAOYSA-N 1 1 346.435 1.109 20 30 ECEDMO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000601352245 438860007 /nfs/dbraw/zinc/86/00/07/438860007.db2.gz HYEULFXJZSXOAG-UHFFFAOYSA-N 1 1 341.408 0.695 20 30 ECEDMO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000601352245 438860011 /nfs/dbraw/zinc/86/00/11/438860011.db2.gz HYEULFXJZSXOAG-UHFFFAOYSA-N 1 1 341.408 0.695 20 30 ECEDMO C[C@@]1(C#N)CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000595841166 438868737 /nfs/dbraw/zinc/86/87/37/438868737.db2.gz RYTMWDOUNORISR-HNNXBMFYSA-N 1 1 336.417 0.898 20 30 ECEDMO C[C@@]1(C#N)CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000595841166 438868744 /nfs/dbraw/zinc/86/87/44/438868744.db2.gz RYTMWDOUNORISR-HNNXBMFYSA-N 1 1 336.417 0.898 20 30 ECEDMO N#Cc1ccc(CNC(=O)CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595864471 438873196 /nfs/dbraw/zinc/87/31/96/438873196.db2.gz ATJMOPIFFUMHDT-GOSISDBHSA-N 1 1 342.443 0.705 20 30 ECEDMO C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000590745889 438953198 /nfs/dbraw/zinc/95/31/98/438953198.db2.gz HRBMJCIJBISGSV-UHOSZYNNSA-N 1 1 345.443 0.897 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)CC3(C#N)CCOCC3)C2)CC1 ZINC000597215928 439058240 /nfs/dbraw/zinc/05/82/40/439058240.db2.gz PVWXVEBSEAODLY-OAHLLOKOSA-N 1 1 334.464 0.982 20 30 ECEDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)CC3(C#N)CCOCC3)C2)CC1 ZINC000597215928 439058246 /nfs/dbraw/zinc/05/82/46/439058246.db2.gz PVWXVEBSEAODLY-OAHLLOKOSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149479 439166618 /nfs/dbraw/zinc/16/66/18/439166618.db2.gz PQTUHFIWEYAPAK-YJBOKZPZSA-N 1 1 343.431 0.469 20 30 ECEDMO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149479 439166623 /nfs/dbraw/zinc/16/66/23/439166623.db2.gz PQTUHFIWEYAPAK-YJBOKZPZSA-N 1 1 343.431 0.469 20 30 ECEDMO N#Cc1ccccc1NC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000602900007 439154888 /nfs/dbraw/zinc/15/48/88/439154888.db2.gz WUVVRNXCLADKMM-UHFFFAOYSA-N 1 1 341.415 0.393 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000522830657 439157725 /nfs/dbraw/zinc/15/77/25/439157725.db2.gz MJTRESOTSNIFLV-CYBMUJFWSA-N 1 1 330.388 0.963 20 30 ECEDMO Cn1c2ncn(CC[N@H+](C)[C@H]3CCC[C@@H]3C#N)c2c(=O)n(C)c1=O ZINC000602980210 439175083 /nfs/dbraw/zinc/17/50/83/439175083.db2.gz NABGSUQYDCLOJN-NEPJUHHUSA-N 1 1 330.392 0.058 20 30 ECEDMO Cn1c2ncn(CC[N@@H+](C)[C@H]3CCC[C@@H]3C#N)c2c(=O)n(C)c1=O ZINC000602980210 439175088 /nfs/dbraw/zinc/17/50/88/439175088.db2.gz NABGSUQYDCLOJN-NEPJUHHUSA-N 1 1 330.392 0.058 20 30 ECEDMO CC(C)CN1C[C@H]2C[N@@H+](CCC(=O)N(C)CCC#N)CCN2C1=O ZINC000488789497 439203474 /nfs/dbraw/zinc/20/34/74/439203474.db2.gz ZYPJXNLOWWMTMZ-OAHLLOKOSA-N 1 1 335.452 0.826 20 30 ECEDMO C[C@H](C#N)N(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000598129019 439228704 /nfs/dbraw/zinc/22/87/04/439228704.db2.gz RMBOLOTWWLTTBQ-GDBMZVCRSA-N 1 1 348.447 0.603 20 30 ECEDMO Cc1nc(C#N)n(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000603351352 439243983 /nfs/dbraw/zinc/24/39/83/439243983.db2.gz GPAZFXWCHDMPCM-OAHLLOKOSA-N 1 1 333.436 0.845 20 30 ECEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000603403320 439256518 /nfs/dbraw/zinc/25/65/18/439256518.db2.gz NZXFYLQQTMOZJH-UHFFFAOYSA-N 1 1 328.482 0.627 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000490972398 439320528 /nfs/dbraw/zinc/32/05/28/439320528.db2.gz FTUSPBKDKCBISJ-OAHLLOKOSA-N 1 1 340.383 0.825 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1OCCC2=O ZINC000491070455 439327969 /nfs/dbraw/zinc/32/79/69/439327969.db2.gz BUPVCLCOCVDRQX-UHFFFAOYSA-N 1 1 343.383 0.662 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1CCC(C)C ZINC000491071215 439329219 /nfs/dbraw/zinc/32/92/19/439329219.db2.gz IOABHADOMUTWKY-UHFFFAOYSA-N 1 1 333.436 0.939 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000491125758 439335247 /nfs/dbraw/zinc/33/52/47/439335247.db2.gz GTQGHIYDLCBKMA-KGLIPLIRSA-N 1 1 347.381 0.257 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000491125758 439335252 /nfs/dbraw/zinc/33/52/52/439335252.db2.gz GTQGHIYDLCBKMA-KGLIPLIRSA-N 1 1 347.381 0.257 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000491127320 439337059 /nfs/dbraw/zinc/33/70/59/439337059.db2.gz WGFVUMZZRSAZTN-UHFFFAOYSA-N 1 1 345.325 0.449 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000568886175 439287194 /nfs/dbraw/zinc/28/71/94/439287194.db2.gz KGNXCFJCOZJGCH-UHFFFAOYSA-N 1 1 340.427 0.870 20 30 ECEDMO N#CC[C@@]1(O)CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000592840264 439288551 /nfs/dbraw/zinc/28/85/51/439288551.db2.gz TVLBGSSHVXYLML-LJQANCHMSA-N 1 1 342.443 0.681 20 30 ECEDMO CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@](O)(CC#N)C3)cc2)CC1 ZINC000592845887 439290797 /nfs/dbraw/zinc/29/07/97/439290797.db2.gz RSCKFLANILFPJE-LJQANCHMSA-N 1 1 342.443 0.925 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CCC(N)=O)Cc2ccccc2)CC1 ZINC000490865293 439305240 /nfs/dbraw/zinc/30/52/40/439305240.db2.gz AGYYBYVMSUUXDI-UHFFFAOYSA-N 1 1 342.443 0.141 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000490893616 439307970 /nfs/dbraw/zinc/30/79/70/439307970.db2.gz WCWRYWVXQHFURO-ZDUSSCGKSA-N 1 1 341.367 0.743 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCn1nc2ccccn2c1=O ZINC000490893628 439308187 /nfs/dbraw/zinc/30/81/87/439308187.db2.gz WFJRGNUONRLHKY-AWEZNQCLSA-N 1 1 328.372 0.527 20 30 ECEDMO C#CCN(C(=O)NCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000490915273 439311326 /nfs/dbraw/zinc/31/13/26/439311326.db2.gz MROMHXYDSWZTAM-AWEZNQCLSA-N 1 1 338.433 0.414 20 30 ECEDMO C#CCn1ccc(CN(CC)C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000491285821 439363637 /nfs/dbraw/zinc/36/36/37/439363637.db2.gz FQQNYPYGLUWTNX-NUJGCVRESA-N 1 1 334.464 0.808 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000593536578 439396211 /nfs/dbraw/zinc/39/62/11/439396211.db2.gz DQPPCDXIAJETPS-UHFFFAOYSA-N 1 1 337.401 0.717 20 30 ECEDMO C#C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)(C)C ZINC000491622392 439412094 /nfs/dbraw/zinc/41/20/94/439412094.db2.gz HECYJICNQZQLCU-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO CCOC(=O)C[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000583143815 439425604 /nfs/dbraw/zinc/42/56/04/439425604.db2.gz WGUBJKNQWYGYHQ-CYBMUJFWSA-N 1 1 340.401 0.236 20 30 ECEDMO CN1CCN(CCC[N@H+](C)C[C@H](O)COc2ccccc2C#N)CC1 ZINC000599337674 439439730 /nfs/dbraw/zinc/43/97/30/439439730.db2.gz DQEQXTADBMYERK-SFHVURJKSA-N 1 1 346.475 0.867 20 30 ECEDMO CN1CCN(CCC[N@@H+](C)C[C@H](O)COc2ccccc2C#N)CC1 ZINC000599337674 439439735 /nfs/dbraw/zinc/43/97/35/439439735.db2.gz DQEQXTADBMYERK-SFHVURJKSA-N 1 1 346.475 0.867 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000491776237 439449809 /nfs/dbraw/zinc/44/98/09/439449809.db2.gz YXZWDXVLTXMMJU-UHFFFAOYSA-N 1 1 326.404 0.720 20 30 ECEDMO C#CCN(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC)C1CCCC1 ZINC000491793418 439450450 /nfs/dbraw/zinc/45/04/50/439450450.db2.gz KXUHLWSMDZHLDS-MRXNPFEDSA-N 1 1 335.448 0.618 20 30 ECEDMO CCC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000599266175 439409534 /nfs/dbraw/zinc/40/95/34/439409534.db2.gz ZXYQZVIDKZPMLN-CABCVRRESA-N 1 1 344.477 0.957 20 30 ECEDMO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026992 439510580 /nfs/dbraw/zinc/51/05/80/439510580.db2.gz IVWTXPMOTJWXKR-UONOGXRCSA-N 1 1 334.807 0.901 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000491815756 439457589 /nfs/dbraw/zinc/45/75/89/439457589.db2.gz LOAYYWSSVHUDEH-IRXDYDNUSA-N 1 1 336.480 0.884 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)n(CCC#N)n1 ZINC000532995793 439523344 /nfs/dbraw/zinc/52/33/44/439523344.db2.gz PPHKAZAZAKLJHI-ZIAGYGMSSA-N 1 1 344.419 0.787 20 30 ECEDMO COc1ccccc1[C@@H](CO)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000541984009 439555407 /nfs/dbraw/zinc/55/54/07/439555407.db2.gz LWYPLHZJAAFOBK-OAHLLOKOSA-N 1 1 330.388 0.974 20 30 ECEDMO N#CCc1ccc(CS(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000594478933 439568556 /nfs/dbraw/zinc/56/85/56/439568556.db2.gz XOXQONZBRYWPQG-JKSUJKDBSA-N 1 1 335.429 0.333 20 30 ECEDMO COC[C@@H]1CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000610615715 439630951 /nfs/dbraw/zinc/63/09/51/439630951.db2.gz HLYQFTQMTPQEOE-AWEZNQCLSA-N 1 1 347.419 0.614 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)COc1ccc(C#N)cc1 ZINC000610712768 439641387 /nfs/dbraw/zinc/64/13/87/439641387.db2.gz KXHRMTGIFIDFST-UHFFFAOYSA-N 1 1 330.388 0.169 20 30 ECEDMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000585714537 439644624 /nfs/dbraw/zinc/64/46/24/439644624.db2.gz ICJWKEGDZVRPTM-XEZPLFJOSA-N 1 1 344.415 0.571 20 30 ECEDMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000585714537 439644627 /nfs/dbraw/zinc/64/46/27/439644627.db2.gz ICJWKEGDZVRPTM-XEZPLFJOSA-N 1 1 344.415 0.571 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000573067270 439625643 /nfs/dbraw/zinc/62/56/43/439625643.db2.gz BLYWUKICVIKJMZ-GJZGRUSLSA-N 1 1 328.372 0.476 20 30 ECEDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1ccsc1C#N ZINC000594843759 439627219 /nfs/dbraw/zinc/62/72/19/439627219.db2.gz QJIYVEGTOKBSKT-UHFFFAOYSA-N 1 1 344.462 0.260 20 30 ECEDMO CN(CC(=O)Nc1cccc(C#N)c1)CC(=O)N1CC[NH+](C)CC1 ZINC000611522501 439703384 /nfs/dbraw/zinc/70/33/84/439703384.db2.gz FKANPWHDWWEGHI-UHFFFAOYSA-N 1 1 329.404 0.203 20 30 ECEDMO CO[C@H](C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)[C@@H]1CCOC1 ZINC000595337885 439707579 /nfs/dbraw/zinc/70/75/79/439707579.db2.gz CIODJOYIJUTIOR-SQWLQELKSA-N 1 1 331.420 0.910 20 30 ECEDMO CN1CCC(C#N)(NC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000611587201 439708059 /nfs/dbraw/zinc/70/80/59/439708059.db2.gz YPVVWHGUVAJWRK-UHFFFAOYSA-N 1 1 331.420 0.740 20 30 ECEDMO CC(C)(CC#N)CS(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595383204 439718601 /nfs/dbraw/zinc/71/86/01/439718601.db2.gz AWFLXUBUUUQXPX-AWEZNQCLSA-N 1 1 329.466 0.787 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000574694374 439722085 /nfs/dbraw/zinc/72/20/85/439722085.db2.gz SAPIVSAJOFIFLT-UHFFFAOYSA-N 1 1 343.431 0.518 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000611225798 439682628 /nfs/dbraw/zinc/68/26/28/439682628.db2.gz OYTWIFDWGLFCRK-CVEARBPZSA-N 1 1 329.400 0.799 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000611225798 439682631 /nfs/dbraw/zinc/68/26/31/439682631.db2.gz OYTWIFDWGLFCRK-CVEARBPZSA-N 1 1 329.400 0.799 20 30 ECEDMO N#CC1(C[C@@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)CCOCC1 ZINC000600740622 439697498 /nfs/dbraw/zinc/69/74/98/439697498.db2.gz ZNRLDFPQEUZTCS-HZPDHXFCSA-N 1 1 325.453 0.494 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000613311131 439754747 /nfs/dbraw/zinc/75/47/47/439754747.db2.gz XYCRMIZVUIHVTC-ABAIWWIYSA-N 1 1 346.387 0.341 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000613311131 439754748 /nfs/dbraw/zinc/75/47/48/439754748.db2.gz XYCRMIZVUIHVTC-ABAIWWIYSA-N 1 1 346.387 0.341 20 30 ECEDMO N#CCCn1ccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000614289227 439773495 /nfs/dbraw/zinc/77/34/95/439773495.db2.gz LELXRBONYAXZCX-CQSZACIVSA-N 1 1 332.408 0.983 20 30 ECEDMO C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000647371274 440044556 /nfs/dbraw/zinc/04/45/56/440044556.db2.gz NTCXQPRFXVJFIT-RBSFLKMASA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000647371274 440044562 /nfs/dbraw/zinc/04/45/62/440044562.db2.gz NTCXQPRFXVJFIT-RBSFLKMASA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H](C)COC ZINC000664172903 440248603 /nfs/dbraw/zinc/24/86/03/440248603.db2.gz BEOIBMRMKBTACM-LSDHHAIUSA-N 1 1 340.468 0.806 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC[NH+](CC(=O)NCCC)CC2)nn1 ZINC000648242413 440265145 /nfs/dbraw/zinc/26/51/45/440265145.db2.gz ZQYOZOKOXVDJIB-UHFFFAOYSA-N 1 1 334.424 0.185 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000654599031 440358060 /nfs/dbraw/zinc/35/80/60/440358060.db2.gz OPVNHOAOLDJYGL-MCIONIFRSA-N 1 1 336.440 0.761 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000654599031 440358065 /nfs/dbraw/zinc/35/80/65/440358065.db2.gz OPVNHOAOLDJYGL-MCIONIFRSA-N 1 1 336.440 0.761 20 30 ECEDMO NC(=O)[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C(N)=O ZINC000639847132 440801395 /nfs/dbraw/zinc/80/13/95/440801395.db2.gz SHRNOZVWDSYMHS-BETUJISGSA-N 1 1 339.317 0.576 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCN2CCOCC2)[C@H]2CCSC2)C1=O ZINC000639769373 440788645 /nfs/dbraw/zinc/78/86/45/440788645.db2.gz HGAWAEUOXFHUAL-JKSUJKDBSA-N 1 1 339.505 0.913 20 30 ECEDMO C=CCN1C(=O)c2ccc(C(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2C1=O ZINC000629911347 440796934 /nfs/dbraw/zinc/79/69/34/440796934.db2.gz TXIQBXCJINAOSL-ZDUSSCGKSA-N 1 1 343.383 0.265 20 30 ECEDMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000646029800 440976315 /nfs/dbraw/zinc/97/63/15/440976315.db2.gz LTCYMGNFQDTNAL-YJBOKZPZSA-N 1 1 348.399 0.988 20 30 ECEDMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000646029800 440976320 /nfs/dbraw/zinc/97/63/20/440976320.db2.gz LTCYMGNFQDTNAL-YJBOKZPZSA-N 1 1 348.399 0.988 20 30 ECEDMO C=CCCn1cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nn1 ZINC000657465542 441009261 /nfs/dbraw/zinc/00/92/61/441009261.db2.gz SBQJBKXLPLKQFQ-CYBMUJFWSA-N 1 1 342.469 0.215 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001041735806 782084901 /nfs/dbraw/zinc/08/49/01/782084901.db2.gz JILXYNFZUDLNDV-HOCLYGCPSA-N 1 1 341.477 0.521 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)C1 ZINC001041736498 782085685 /nfs/dbraw/zinc/08/56/85/782085685.db2.gz SFOUNJHPSSYLIM-ZHALLVOQSA-N 1 1 342.443 0.846 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000562444751 322274599 /nfs/dbraw/zinc/27/45/99/322274599.db2.gz UDIGPZUGYASDBI-INIZCTEOSA-N 1 1 333.436 0.014 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC(c3nc(C[NH3+])no3)CC2)cc1 ZINC000574878077 322786873 /nfs/dbraw/zinc/78/68/73/322786873.db2.gz WCTMPZJKHRIGHY-UHFFFAOYSA-N 1 1 347.400 0.968 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001041741012 782098221 /nfs/dbraw/zinc/09/82/21/782098221.db2.gz IBCWGZXPOAUMJF-SFHVURJKSA-N 1 1 333.432 0.930 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(S(C)(=O)=O)CCC3)C2)C1 ZINC001041761405 782148520 /nfs/dbraw/zinc/14/85/20/782148520.db2.gz MLUVRCVUKRLHQL-INIZCTEOSA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C3(S(C)(=O)=O)CCC3)C2)C1 ZINC001041761405 782148524 /nfs/dbraw/zinc/14/85/24/782148524.db2.gz MLUVRCVUKRLHQL-INIZCTEOSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCSCCNC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000153644872 527142761 /nfs/dbraw/zinc/14/27/61/527142761.db2.gz FAHFIVFMODPBEJ-UHFFFAOYSA-N 1 1 340.493 0.643 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H](CC)CO)CC2)c1 ZINC000177909072 527444945 /nfs/dbraw/zinc/44/49/45/527444945.db2.gz LFZZRVGMPIJOGL-MRXNPFEDSA-N 1 1 329.400 0.522 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](O)[C@H](C)C3)CC2)o1 ZINC000186915625 545899519 /nfs/dbraw/zinc/89/95/19/545899519.db2.gz SEELODXXYZNVKJ-DOMZBBRYSA-N 1 1 347.419 0.206 20 30 ECEDMO CC(C)Cc1nnc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)s1 ZINC000329485063 546025066 /nfs/dbraw/zinc/02/50/66/546025066.db2.gz SNPXQVIQFREXLN-NSHDSACASA-N 1 1 326.470 1.308 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000367412234 546182063 /nfs/dbraw/zinc/18/20/63/546182063.db2.gz HJACTQJZKMXDLQ-UHFFFAOYSA-N 1 1 345.447 0.990 20 30 ECEDMO C=CCNC(=O)NC(=O)CN(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367412234 546182070 /nfs/dbraw/zinc/18/20/70/546182070.db2.gz HJACTQJZKMXDLQ-UHFFFAOYSA-N 1 1 345.447 0.990 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000625567071 547150684 /nfs/dbraw/zinc/15/06/84/547150684.db2.gz KHKJMJOGCIBVIY-OAHLLOKOSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626169241 547308429 /nfs/dbraw/zinc/30/84/29/547308429.db2.gz IPIKSGCXFSRBDH-CABCVRRESA-N 1 1 343.493 0.837 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000668803158 547754496 /nfs/dbraw/zinc/75/44/96/547754496.db2.gz IGCOAGXNMXIVOH-IAGOWNOFSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000669036662 547817319 /nfs/dbraw/zinc/81/73/19/547817319.db2.gz XMPMHPZLVPMBMM-ZDUSSCGKSA-N 1 1 344.423 0.171 20 30 ECEDMO C=CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675101019 548708545 /nfs/dbraw/zinc/70/85/45/548708545.db2.gz NAHWPYKQSIOPFW-MRXNPFEDSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000675101019 548708548 /nfs/dbraw/zinc/70/85/48/548708548.db2.gz NAHWPYKQSIOPFW-MRXNPFEDSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCOCCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000679480829 549096098 /nfs/dbraw/zinc/09/60/98/549096098.db2.gz XGRTUCKILSQAHC-UHFFFAOYSA-N 1 1 348.451 0.491 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2O)nc1 ZINC001078030292 782174790 /nfs/dbraw/zinc/17/47/90/782174790.db2.gz RMOITNRNXHITJW-HUUCEWRRSA-N 1 1 335.354 0.883 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@H]2O)nc1 ZINC001078031107 782175844 /nfs/dbraw/zinc/17/58/44/782175844.db2.gz BZPHSRPBGXVPEY-KZNAEPCWSA-N 1 1 343.427 0.653 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)cn1 ZINC001078032307 782179622 /nfs/dbraw/zinc/17/96/22/782179622.db2.gz HUKAUVNNZSQTAB-IAOVAPTHSA-N 1 1 329.400 0.264 20 30 ECEDMO CN(C)S(=O)(=O)CCCO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000753822576 579406915 /nfs/dbraw/zinc/40/69/15/579406915.db2.gz UDOHBISFFNTWRH-UHFFFAOYSA-N 1 1 327.406 0.540 20 30 ECEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc(S(N)(=O)=O)cc1 ZINC000753941019 579409618 /nfs/dbraw/zinc/40/96/18/579409618.db2.gz VYEMXQHPDOSHQX-OKILXGFUSA-N 1 1 335.433 0.918 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cn(C)nc2C)CC1 ZINC000759426226 579491007 /nfs/dbraw/zinc/49/10/07/579491007.db2.gz NHCIJWBKLUUDGZ-KRWDZBQOSA-N 1 1 329.448 0.643 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)CC1 ZINC000759426226 579491009 /nfs/dbraw/zinc/49/10/09/579491009.db2.gz NHCIJWBKLUUDGZ-KRWDZBQOSA-N 1 1 329.448 0.643 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCc2nc(-c3ncccn3)no2)CC1 ZINC000727732878 578284196 /nfs/dbraw/zinc/28/41/96/578284196.db2.gz VGWGCBHVWUGVNN-UHFFFAOYSA-N 1 1 340.387 0.627 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729503429 578296355 /nfs/dbraw/zinc/29/63/55/578296355.db2.gz XMBURNRHYZMCQE-CABCVRRESA-N 1 1 344.419 0.528 20 30 ECEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNc1ncccc1C#N ZINC000730122727 578303535 /nfs/dbraw/zinc/30/35/35/578303535.db2.gz SWYYOWRFSSOAAG-AWEZNQCLSA-N 1 1 345.451 0.300 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000730285954 578304632 /nfs/dbraw/zinc/30/46/32/578304632.db2.gz QEUJKPVQQROGDZ-KRWDZBQOSA-N 1 1 329.448 0.552 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000730285954 578304633 /nfs/dbraw/zinc/30/46/33/578304633.db2.gz QEUJKPVQQROGDZ-KRWDZBQOSA-N 1 1 329.448 0.552 20 30 ECEDMO C#CCNC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000731030569 578310190 /nfs/dbraw/zinc/31/01/90/578310190.db2.gz QJEHZQJNUGFFQQ-KRWDZBQOSA-N 1 1 329.444 0.959 20 30 ECEDMO C#CCNC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000731030569 578310191 /nfs/dbraw/zinc/31/01/91/578310191.db2.gz QJEHZQJNUGFFQQ-KRWDZBQOSA-N 1 1 329.444 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2nccn2CC)CC1 ZINC000732158421 578320510 /nfs/dbraw/zinc/32/05/10/578320510.db2.gz DFPHKWIWYKPHAR-INIZCTEOSA-N 1 1 329.448 0.645 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2nccn2CC)CC1 ZINC000732158421 578320511 /nfs/dbraw/zinc/32/05/11/578320511.db2.gz DFPHKWIWYKPHAR-INIZCTEOSA-N 1 1 329.448 0.645 20 30 ECEDMO N#CC1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000734686959 578366483 /nfs/dbraw/zinc/36/64/83/578366483.db2.gz ZBJLDOJZFYPHMV-INIZCTEOSA-N 1 1 335.452 0.338 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCc2ccc(S(N)(=O)=O)cc2)C1=O ZINC000799176289 578660626 /nfs/dbraw/zinc/66/06/26/578660626.db2.gz LLAPJAFCENCGDM-HNNXBMFYSA-N 1 1 337.445 0.595 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000780932672 578702859 /nfs/dbraw/zinc/70/28/59/578702859.db2.gz CGTVBCCVFGSURF-ZACQAIPSSA-N 1 1 329.400 0.649 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000781214010 578706498 /nfs/dbraw/zinc/70/64/98/578706498.db2.gz FOYAPXZJXSZJHJ-CJNGLKHVSA-N 1 1 331.416 0.895 20 30 ECEDMO C#CCOCCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000784203236 578749663 /nfs/dbraw/zinc/74/96/63/578749663.db2.gz AZFXOPFGFYUDCC-UHFFFAOYSA-N 1 1 331.416 0.968 20 30 ECEDMO Cn1ccnc1[C@H](O)C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000784341971 578750764 /nfs/dbraw/zinc/75/07/64/578750764.db2.gz VBKOUDJISIYIBB-OAHLLOKOSA-N 1 1 331.420 0.728 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc(C)nn1C ZINC000788967572 578846309 /nfs/dbraw/zinc/84/63/09/578846309.db2.gz ZOVSUBWBOBGJDI-UHFFFAOYSA-N 1 1 338.481 0.639 20 30 ECEDMO CC(C)N1CC[NH+](CCCOC(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000792291232 578905003 /nfs/dbraw/zinc/90/50/03/578905003.db2.gz RFUJZBDDUSFCCX-AWEZNQCLSA-N 1 1 334.424 0.670 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766633273 579090334 /nfs/dbraw/zinc/09/03/34/579090334.db2.gz DLXVIQQHKPEGJU-AWEZNQCLSA-N 1 1 344.459 0.943 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000770302173 579164326 /nfs/dbraw/zinc/16/43/26/579164326.db2.gz KDIDPWTZQFIUKQ-CJNGLKHVSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000770302173 579164327 /nfs/dbraw/zinc/16/43/27/579164327.db2.gz KDIDPWTZQFIUKQ-CJNGLKHVSA-N 1 1 345.399 0.472 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NCCOc1ccc2c(c1)OCO2)[C@H]1CCCO1 ZINC000775790855 579271197 /nfs/dbraw/zinc/27/11/97/579271197.db2.gz JQQANLLCSIEXOD-LSDHHAIUSA-N 1 1 346.383 0.681 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)[C@@H]1CCCO1 ZINC000775793876 579271374 /nfs/dbraw/zinc/27/13/74/579271374.db2.gz WZOYIZMDEXWLCC-CABCVRRESA-N 1 1 341.367 0.621 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCO1 ZINC000775800690 579271679 /nfs/dbraw/zinc/27/16/79/579271679.db2.gz TZPCHNAVMKTQPA-KBPBESRZSA-N 1 1 337.401 0.043 20 30 ECEDMO C[C@H]1CN=C(NN=Cc2ccc(C=NNC3=[NH+]C[C@H](C)N3)cc2)N1 ZINC000779791417 579320840 /nfs/dbraw/zinc/32/08/40/579320840.db2.gz CLYDTRXFIXAJPC-RYUDHWBXSA-N 1 1 326.408 0.229 20 30 ECEDMO CC1=CC[N@@H+](CCNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000762708798 579546319 /nfs/dbraw/zinc/54/63/19/579546319.db2.gz ZKKDOCRHHWTVNW-WUKNDPDISA-N 1 1 332.404 0.671 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763702550 579564114 /nfs/dbraw/zinc/56/41/14/579564114.db2.gz YQAKFUQLFJPQMD-STQMWFEESA-N 1 1 327.388 0.954 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763702550 579564115 /nfs/dbraw/zinc/56/41/15/579564115.db2.gz YQAKFUQLFJPQMD-STQMWFEESA-N 1 1 327.388 0.954 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1 ZINC000742198694 579781897 /nfs/dbraw/zinc/78/18/97/579781897.db2.gz MSDMSLWGBMLRRO-CYBMUJFWSA-N 1 1 335.429 0.374 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000742198694 579781899 /nfs/dbraw/zinc/78/18/99/579781899.db2.gz MSDMSLWGBMLRRO-CYBMUJFWSA-N 1 1 335.429 0.374 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000743919284 579803457 /nfs/dbraw/zinc/80/34/57/579803457.db2.gz DYNGZZCHRADRQS-OAHLLOKOSA-N 1 1 345.399 0.474 20 30 ECEDMO CN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000746249572 579834304 /nfs/dbraw/zinc/83/43/04/579834304.db2.gz JQHQONCSPQZDQM-PHODEOQFSA-N 1 1 332.404 0.598 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746453412 579839421 /nfs/dbraw/zinc/83/94/21/579839421.db2.gz KYWITWYDEROXEJ-AWEZNQCLSA-N 1 1 346.435 0.829 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2nccnc2C)CC1 ZINC000836490122 588931592 /nfs/dbraw/zinc/93/15/92/588931592.db2.gz IHQUAEOEOAMNME-UHFFFAOYSA-N 1 1 330.436 0.572 20 30 ECEDMO C#CC[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837943269 588966577 /nfs/dbraw/zinc/96/65/77/588966577.db2.gz ODLQJBLIRXUYGE-CVEARBPZSA-N 1 1 330.384 0.569 20 30 ECEDMO C#CC[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837943269 588966579 /nfs/dbraw/zinc/96/65/79/588966579.db2.gz ODLQJBLIRXUYGE-CVEARBPZSA-N 1 1 330.384 0.569 20 30 ECEDMO C#CC[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)C(=O)OC ZINC000837944860 588966846 /nfs/dbraw/zinc/96/68/46/588966846.db2.gz FWOFFHZDLWUQOR-IRXDYDNUSA-N 1 1 344.411 0.866 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC(CN2CCNC2=O)CC1 ZINC000895057658 586158664 /nfs/dbraw/zinc/15/86/64/586158664.db2.gz WGHZCKZCRYQUAM-UHFFFAOYSA-N 1 1 335.452 0.388 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)nc1 ZINC000897222790 586289228 /nfs/dbraw/zinc/28/92/28/586289228.db2.gz XTSZWYYKGDDWCY-HOTGVXAUSA-N 1 1 328.416 0.480 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)n1 ZINC000897600813 586349253 /nfs/dbraw/zinc/34/92/53/586349253.db2.gz UBCCGLKXLVWFQN-SFHVURJKSA-N 1 1 330.432 0.977 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@]2(C#N)CC3CCC2CC3)CC1 ZINC000899139987 586472557 /nfs/dbraw/zinc/47/25/57/586472557.db2.gz RQBVQKYFSMKTHG-JMLCCBQJSA-N 1 1 332.448 0.987 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000900080761 586522212 /nfs/dbraw/zinc/52/22/12/586522212.db2.gz UAKOEMPAYPCCBN-WMLDXEAASA-N 1 1 329.404 0.057 20 30 ECEDMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000900318175 586536476 /nfs/dbraw/zinc/53/64/76/586536476.db2.gz OEPNOYFRGIICCH-SFHVURJKSA-N 1 1 343.431 0.449 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000900274245 586536567 /nfs/dbraw/zinc/53/65/67/586536567.db2.gz MAVGVIKVLDDRGI-CRAIPNDOSA-N 1 1 329.400 0.520 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000900274245 586536569 /nfs/dbraw/zinc/53/65/69/586536569.db2.gz MAVGVIKVLDDRGI-CRAIPNDOSA-N 1 1 329.400 0.520 20 30 ECEDMO C=CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1)c1ccncc1 ZINC000804901644 586862501 /nfs/dbraw/zinc/86/25/01/586862501.db2.gz XTTCODMGTZRFNE-HZPDHXFCSA-N 1 1 346.431 0.652 20 30 ECEDMO C#C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000839563037 586880451 /nfs/dbraw/zinc/88/04/51/586880451.db2.gz FNGXIUHRRMJRJA-CHWSQXEVSA-N 1 1 331.434 0.513 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c1 ZINC000839606294 586882316 /nfs/dbraw/zinc/88/23/16/586882316.db2.gz OZNUMSKZGABKGX-CQSZACIVSA-N 1 1 343.383 0.170 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c1 ZINC000839606294 586882317 /nfs/dbraw/zinc/88/23/17/586882317.db2.gz OZNUMSKZGABKGX-CQSZACIVSA-N 1 1 343.383 0.170 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c1 ZINC000905448180 586893099 /nfs/dbraw/zinc/89/30/99/586893099.db2.gz AJFHCLJCGAXPRT-HNNXBMFYSA-N 1 1 347.440 0.932 20 30 ECEDMO CN(C(=O)COC(=O)CCCC[NH+]1CCOCC1)C(C)(C)C#N ZINC000803512437 587062701 /nfs/dbraw/zinc/06/27/01/587062701.db2.gz OGNAZJRKWWQMLH-UHFFFAOYSA-N 1 1 325.409 0.793 20 30 ECEDMO C=CCN1CCN(C[N@H+]2C[C@H](OC)C[C@@H]2CC(=O)OCC)C1=O ZINC000840047770 587085335 /nfs/dbraw/zinc/08/53/35/587085335.db2.gz MRXCKCVALWKYKH-ZIAGYGMSSA-N 1 1 325.409 0.910 20 30 ECEDMO C=CCN1CCN(C[N@@H+]2C[C@H](OC)C[C@@H]2CC(=O)OCC)C1=O ZINC000840047770 587085337 /nfs/dbraw/zinc/08/53/37/587085337.db2.gz MRXCKCVALWKYKH-ZIAGYGMSSA-N 1 1 325.409 0.910 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)NCCNc2ncccc2C#N)CC1 ZINC000806534477 587100212 /nfs/dbraw/zinc/10/02/12/587100212.db2.gz CFTIOISKMUFNHZ-ZDUSSCGKSA-N 1 1 332.408 0.073 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000809308924 587174331 /nfs/dbraw/zinc/17/43/31/587174331.db2.gz NORPGIJZTXXBOH-LSDHHAIUSA-N 1 1 332.404 0.337 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCCO1 ZINC000809313748 587175221 /nfs/dbraw/zinc/17/52/21/587175221.db2.gz UUQDSLNVPIHHJL-PMPSAXMXSA-N 1 1 335.448 0.616 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCCO1 ZINC000809313958 587175240 /nfs/dbraw/zinc/17/52/40/587175240.db2.gz WNHDUZYYKOEONM-SOUVJXGZSA-N 1 1 335.448 0.520 20 30 ECEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CCC1 ZINC000810071674 587189024 /nfs/dbraw/zinc/18/90/24/587189024.db2.gz KKPRCHBIOHWWNK-NSHDSACASA-N 1 1 346.353 0.939 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1F ZINC000813659619 587259024 /nfs/dbraw/zinc/25/90/24/587259024.db2.gz ICRFAUROQQBCJS-QWHCGFSZSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC000813659619 587259025 /nfs/dbraw/zinc/25/90/25/587259025.db2.gz ICRFAUROQQBCJS-QWHCGFSZSA-N 1 1 339.392 0.839 20 30 ECEDMO CCn1ncn(N=Cc2cc(C)n(CC[NH+]3CCOCC3)c2C)c1=O ZINC000814235725 587271941 /nfs/dbraw/zinc/27/19/41/587271941.db2.gz XLEHSXHYZASOQU-UHFFFAOYSA-N 1 1 346.435 0.697 20 30 ECEDMO C[C@H](C#N)OCC[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000814650756 587278446 /nfs/dbraw/zinc/27/84/46/587278446.db2.gz YEFNTDAWVCQKHN-GFCCVEGCSA-N 1 1 327.406 0.573 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000815861195 587300638 /nfs/dbraw/zinc/30/06/38/587300638.db2.gz VVRONCBNYQNZNR-UHFFFAOYSA-N 1 1 345.399 0.858 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[NH+](C(COC)COC)CC1)[C@@H]1CCCO1 ZINC000840349485 587386258 /nfs/dbraw/zinc/38/62/58/587386258.db2.gz BUUDVXFDYAGXKC-HOTGVXAUSA-N 1 1 339.436 0.156 20 30 ECEDMO COCCOc1ccc(C#N)cc1NC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000819468360 587480191 /nfs/dbraw/zinc/48/01/91/587480191.db2.gz QVLRWSSXVVIAOY-MRXNPFEDSA-N 1 1 348.447 0.604 20 30 ECEDMO C[N@H+]1C[C@@H]2CCCN(C(=O)CCNC(=O)C3N=CC=CC3=O)[C@@H]2C1 ZINC000819717231 587487016 /nfs/dbraw/zinc/48/70/16/587487016.db2.gz FMQHULQKHYHVTM-AHIOURIWSA-N 1 1 332.404 0.456 20 30 ECEDMO C[N@@H+]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCN(O)C4=O)cc3c2C1 ZINC000820138322 587512888 /nfs/dbraw/zinc/51/28/88/587512888.db2.gz YNMQHAJLJOSJHQ-HNNXBMFYSA-N 1 1 328.372 0.876 20 30 ECEDMO C[N@H+]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCN(O)C4=O)cc3c2C1 ZINC000820138322 587512889 /nfs/dbraw/zinc/51/28/89/587512889.db2.gz YNMQHAJLJOSJHQ-HNNXBMFYSA-N 1 1 328.372 0.876 20 30 ECEDMO C#C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000823316007 587715654 /nfs/dbraw/zinc/71/56/54/587715654.db2.gz SZDOGTQYBDUKBO-ZIFCJYIRSA-N 1 1 328.412 0.635 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)CC1 ZINC000823919804 587844261 /nfs/dbraw/zinc/84/42/61/587844261.db2.gz RKWLTBSBCDZYEC-UHFFFAOYSA-N 1 1 348.432 0.795 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000827276241 588109924 /nfs/dbraw/zinc/10/99/24/588109924.db2.gz BVWTZSYIAVJGDI-HOTGVXAUSA-N 1 1 326.400 0.841 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCO1 ZINC000829215931 588319097 /nfs/dbraw/zinc/31/90/97/588319097.db2.gz ZRUYBNRVEGDMCL-PVAVHDDUSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000844383010 589109788 /nfs/dbraw/zinc/10/97/88/589109788.db2.gz CDBUVWRPJXTKPA-UHFFFAOYSA-N 1 1 341.390 0.963 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000844383010 589109790 /nfs/dbraw/zinc/10/97/90/589109790.db2.gz CDBUVWRPJXTKPA-UHFFFAOYSA-N 1 1 341.390 0.963 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC000844460511 589111834 /nfs/dbraw/zinc/11/18/34/589111834.db2.gz XLCBAXLEFIOPIE-MJBXVCDLSA-N 1 1 326.391 0.876 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC000844460511 589111836 /nfs/dbraw/zinc/11/18/36/589111836.db2.gz XLCBAXLEFIOPIE-MJBXVCDLSA-N 1 1 326.391 0.876 20 30 ECEDMO C#C[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000847032749 589233113 /nfs/dbraw/zinc/23/31/13/589233113.db2.gz UUNRACFHLUUUII-AWEZNQCLSA-N 1 1 349.456 0.338 20 30 ECEDMO C#C[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000847030415 589233257 /nfs/dbraw/zinc/23/32/57/589233257.db2.gz MVPITSARSPXAID-ZDUSSCGKSA-N 1 1 347.440 0.568 20 30 ECEDMO C#C[C@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000847030415 589233258 /nfs/dbraw/zinc/23/32/58/589233258.db2.gz MVPITSARSPXAID-ZDUSSCGKSA-N 1 1 347.440 0.568 20 30 ECEDMO C#C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000847027454 589233281 /nfs/dbraw/zinc/23/32/81/589233281.db2.gz BERGTIOZNVIEAC-CQSZACIVSA-N 1 1 329.400 0.512 20 30 ECEDMO C#C[C@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000847382815 589245124 /nfs/dbraw/zinc/24/51/24/589245124.db2.gz CXYLESFCBFKBRW-INIZCTEOSA-N 1 1 335.448 0.923 20 30 ECEDMO CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CCCN(O)C1=O)n2C ZINC000848135327 589279299 /nfs/dbraw/zinc/27/92/99/589279299.db2.gz MEHRVUKJYPZVRO-SNVBAGLBSA-N 1 1 332.364 0.144 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCO1 ZINC000848937531 589317032 /nfs/dbraw/zinc/31/70/32/589317032.db2.gz PWUXIOQDFBWDSI-FZKCQIBNSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594627 589342275 /nfs/dbraw/zinc/34/22/75/589342275.db2.gz GMGZJZIBXJOYBA-BRWVUGGUSA-N 1 1 332.448 0.734 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC000850459625 589367237 /nfs/dbraw/zinc/36/72/37/589367237.db2.gz BBIMHBTYHYIFHZ-UHFFFAOYSA-N 1 1 340.383 0.538 20 30 ECEDMO C[N@@H+](Cc1coc(S(N)(=O)=O)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000852210267 589450914 /nfs/dbraw/zinc/45/09/14/589450914.db2.gz AKKPRWCJIYUGHJ-AWEZNQCLSA-N 1 1 335.385 0.964 20 30 ECEDMO C[N@H+](Cc1coc(S(N)(=O)=O)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000852210267 589450916 /nfs/dbraw/zinc/45/09/16/589450916.db2.gz AKKPRWCJIYUGHJ-AWEZNQCLSA-N 1 1 335.385 0.964 20 30 ECEDMO Cc1cc(NC[C@@H]2COCCO2)c(C#N)c(NC[C@H]2COCCO2)[nH+]1 ZINC000853209273 589537490 /nfs/dbraw/zinc/53/74/90/589537490.db2.gz LQBVIDKCRVMOCM-KGLIPLIRSA-N 1 1 348.403 0.916 20 30 ECEDMO C#CCCN(CCOC)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000853284168 589539538 /nfs/dbraw/zinc/53/95/38/589539538.db2.gz RVPJEUINYRLHFV-KRWDZBQOSA-N 1 1 338.496 0.940 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)C[C@@H]2CC2(C)C)c1=O ZINC000853626632 589552626 /nfs/dbraw/zinc/55/26/26/589552626.db2.gz BYOLEGWAAZECLN-ZDUSSCGKSA-N 1 1 334.420 0.479 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)C[C@@H]2CC2(C)C)c1=O ZINC000853626632 589552627 /nfs/dbraw/zinc/55/26/27/589552627.db2.gz BYOLEGWAAZECLN-ZDUSSCGKSA-N 1 1 334.420 0.479 20 30 ECEDMO C#CC[N@@H+](C)CCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000853647324 589553444 /nfs/dbraw/zinc/55/34/44/589553444.db2.gz XWFQORVLQJPFJW-UHFFFAOYSA-N 1 1 326.378 0.609 20 30 ECEDMO C[NH+](C)CCC[N@H+](C)CCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000853798158 589559139 /nfs/dbraw/zinc/55/91/39/589559139.db2.gz CRQZFYBZNPHZOX-UHFFFAOYSA-N 1 1 339.465 0.501 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC([C@H](O)c2ccnn2C)CC1 ZINC000856805569 589676695 /nfs/dbraw/zinc/67/66/95/589676695.db2.gz ZDHYAYFUNKJGQO-HNNXBMFYSA-N 1 1 335.408 0.177 20 30 ECEDMO C#CC[NH2+]CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC ZINC000857576602 589699686 /nfs/dbraw/zinc/69/96/86/589699686.db2.gz KMGODYBDTQOATL-UHFFFAOYSA-N 1 1 337.401 0.297 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC(=O)NC1CCCC1 ZINC000867955621 589865392 /nfs/dbraw/zinc/86/53/92/589865392.db2.gz DSOXICPLVLFLJX-QGZVFWFLSA-N 1 1 326.400 0.920 20 30 ECEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000862121565 589921877 /nfs/dbraw/zinc/92/18/77/589921877.db2.gz XUPBELJZOXHNRJ-QWHCGFSZSA-N 1 1 346.387 0.099 20 30 ECEDMO CC(=NNC1=NCC(=O)N1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000863174675 589991692 /nfs/dbraw/zinc/99/16/92/589991692.db2.gz XYEAUWCGOBULEP-UHFFFAOYSA-N 1 1 331.376 0.024 20 30 ECEDMO C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1 ZINC000870094815 590000012 /nfs/dbraw/zinc/00/00/12/590000012.db2.gz YHHBGYMKZOBZPL-INIZCTEOSA-N 1 1 341.459 0.843 20 30 ECEDMO COc1ccc([C@@H]2CN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC[NH2+]2)cc1 ZINC000870145584 590003345 /nfs/dbraw/zinc/00/33/45/590003345.db2.gz OGPQTQNWYIJXNV-DOMZBBRYSA-N 1 1 340.387 0.892 20 30 ECEDMO C#CCN1CCN(C(=O)CON=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000871786348 590087312 /nfs/dbraw/zinc/08/73/12/590087312.db2.gz YYUWWCCWLFMMBU-MQVJKMGUSA-N 1 1 347.463 0.135 20 30 ECEDMO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000872785479 590147466 /nfs/dbraw/zinc/14/74/66/590147466.db2.gz RYQAEHSWJQKPLC-IYOUNJFTSA-N 1 1 340.383 0.861 20 30 ECEDMO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000872785479 590147468 /nfs/dbraw/zinc/14/74/68/590147468.db2.gz RYQAEHSWJQKPLC-IYOUNJFTSA-N 1 1 340.383 0.861 20 30 ECEDMO CON=C(C(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1csc(N)n1 ZINC000874040796 590218289 /nfs/dbraw/zinc/21/82/89/590218289.db2.gz GFFLBGCTEMLCDV-SNVBAGLBSA-N 1 1 325.438 0.924 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000874989445 590261001 /nfs/dbraw/zinc/26/10/01/590261001.db2.gz GDNVYZIZJYQDNI-ZIAGYGMSSA-N 1 1 335.404 0.543 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000875066556 590267171 /nfs/dbraw/zinc/26/71/71/590267171.db2.gz UWPLNRNPFJKBOL-HOTGVXAUSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000875139528 590275074 /nfs/dbraw/zinc/27/50/74/590275074.db2.gz AEJICJYEERFWOL-HZPDHXFCSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000875307016 590291472 /nfs/dbraw/zinc/29/14/72/590291472.db2.gz HONYMDOVIRGPPC-HRCADAONSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000875599922 590312928 /nfs/dbraw/zinc/31/29/28/590312928.db2.gz URIMWTOJASWUKD-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000875623822 590316779 /nfs/dbraw/zinc/31/67/79/590316779.db2.gz XDGWRWUFSHCIPE-MRXNPFEDSA-N 1 1 336.392 0.045 20 30 ECEDMO C#CC[C@H](COC)NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000875923588 590346561 /nfs/dbraw/zinc/34/65/61/590346561.db2.gz JEAVKMDSMJZBKS-MJGOQNOKSA-N 1 1 345.443 0.961 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCC(=O)OC)C2)CC1 ZINC000880039303 590363266 /nfs/dbraw/zinc/36/32/66/590363266.db2.gz IOYUBSGDWHVVLN-INIZCTEOSA-N 1 1 335.448 0.429 20 30 ECEDMO CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876597083 590390055 /nfs/dbraw/zinc/39/00/55/590390055.db2.gz BVIBKCDUGNPFJF-QGZVFWFLSA-N 1 1 342.399 0.062 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000880479869 590395251 /nfs/dbraw/zinc/39/52/51/590395251.db2.gz AOGNEGYUPWAIAF-UHFFFAOYSA-N 1 1 329.400 0.863 20 30 ECEDMO CS(=O)(=O)CC1(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876701814 590400138 /nfs/dbraw/zinc/40/01/38/590400138.db2.gz YFVZWJHKANPBBP-HNNXBMFYSA-N 1 1 347.440 0.686 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CS1(=O)=O ZINC000876966589 590430117 /nfs/dbraw/zinc/43/01/17/590430117.db2.gz WUYVITHYHPAPCL-XFJVYGCCSA-N 1 1 347.440 0.827 20 30 ECEDMO Cn1cc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c(-c2ccc(C#N)cc2)n1 ZINC000877764700 590481604 /nfs/dbraw/zinc/48/16/04/590481604.db2.gz JECMEOWTPWZYQA-CALCHBBNSA-N 1 1 326.400 0.991 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000877893741 590485307 /nfs/dbraw/zinc/48/53/07/590485307.db2.gz UQMYEIDGADSEFK-MRXNPFEDSA-N 1 1 337.464 0.492 20 30 ECEDMO C[NH+]1CCC(C#N)(NC(=O)c2ccc(CN3CCOCC3)o2)CC1 ZINC000878222441 590507308 /nfs/dbraw/zinc/50/73/08/590507308.db2.gz CXHCLBSPMJHSTM-UHFFFAOYSA-N 1 1 332.404 0.830 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000878314669 590515084 /nfs/dbraw/zinc/51/50/84/590515084.db2.gz SFHDPRMRVGKDBY-UHFFFAOYSA-N 1 1 349.456 0.345 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC([C@@H](F)C(N)=O)CC2)cc1 ZINC000879047718 590560190 /nfs/dbraw/zinc/56/01/90/590560190.db2.gz MMYMVLDYTCJGNJ-MRXNPFEDSA-N 1 1 332.379 0.710 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000882633020 590565607 /nfs/dbraw/zinc/56/56/07/590565607.db2.gz YYPKUJGELOOVOM-SFHVURJKSA-N 1 1 342.443 0.589 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(c3ccc(C#N)cc3CS(N)(=O)=O)CC[C@H]21 ZINC000882698299 590575395 /nfs/dbraw/zinc/57/53/95/590575395.db2.gz JBDKCDBDWCFLIL-DZGCQCFKSA-N 1 1 334.445 0.877 20 30 ECEDMO C=C(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000882893826 590595848 /nfs/dbraw/zinc/59/58/48/590595848.db2.gz CUXSPYVLPXPQTH-XHSDSOJGSA-N 1 1 337.464 0.763 20 30 ECEDMO COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N(C)C[C@H](C)C#N)c1 ZINC000883655654 590645356 /nfs/dbraw/zinc/64/53/56/590645356.db2.gz JAEUKSLOTKZJKF-CZUORRHYSA-N 1 1 344.415 0.786 20 30 ECEDMO C=CCC1(O)CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000884053121 590721643 /nfs/dbraw/zinc/72/16/43/590721643.db2.gz MFPTUMQPHVKPTQ-UHFFFAOYSA-N 1 1 338.452 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)NC(C)(C)C)C1 ZINC000884127270 590747856 /nfs/dbraw/zinc/74/78/56/590747856.db2.gz ZPLDZPLIZHMMTM-ZDUSSCGKSA-N 1 1 344.481 0.101 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)NC(C)(C)C)C1 ZINC000884127270 590747860 /nfs/dbraw/zinc/74/78/60/590747860.db2.gz ZPLDZPLIZHMMTM-ZDUSSCGKSA-N 1 1 344.481 0.101 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000885879494 590776314 /nfs/dbraw/zinc/77/63/14/590776314.db2.gz IFBJOHXXRKVEGN-SJORKVTESA-N 1 1 329.400 0.961 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(NC(C)=O)nc2)C1 ZINC000884305943 590800361 /nfs/dbraw/zinc/80/03/61/590800361.db2.gz NOFMRJMBTZUSGO-OAHLLOKOSA-N 1 1 329.404 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(NC(C)=O)nc2)C1 ZINC000884305943 590800366 /nfs/dbraw/zinc/80/03/66/590800366.db2.gz NOFMRJMBTZUSGO-OAHLLOKOSA-N 1 1 329.404 0.937 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000884319395 590803465 /nfs/dbraw/zinc/80/34/65/590803465.db2.gz UKBGDUKDHYCQEP-AWEZNQCLSA-N 1 1 341.452 0.250 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2CCN(C(=O)OC)CC2)C1 ZINC000884343513 590810880 /nfs/dbraw/zinc/81/08/80/590810880.db2.gz AVYBWKHGGUDAFP-OAHLLOKOSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CCN(C(=O)OC)CC2)C1 ZINC000884343513 590810882 /nfs/dbraw/zinc/81/08/82/590810882.db2.gz AVYBWKHGGUDAFP-OAHLLOKOSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000886359735 590835438 /nfs/dbraw/zinc/83/54/38/590835438.db2.gz JGDOPFXJSAVBAC-CYBMUJFWSA-N 1 1 346.431 0.313 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000886359735 590835441 /nfs/dbraw/zinc/83/54/41/590835441.db2.gz JGDOPFXJSAVBAC-CYBMUJFWSA-N 1 1 346.431 0.313 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](Nc2ccc(C#N)cc2CS(N)(=O)=O)C1 ZINC000884610164 590870758 /nfs/dbraw/zinc/87/07/58/590870758.db2.gz FUUSANNTYGBUKB-HNNXBMFYSA-N 1 1 332.429 0.856 20 30 ECEDMO C[C@]1(C#N)CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000887676584 590991253 /nfs/dbraw/zinc/99/12/53/590991253.db2.gz GUQCZVCACHTKNE-ZWKOTPCHSA-N 1 1 329.400 0.764 20 30 ECEDMO N#Cc1ccc([C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CCO2)cc1 ZINC000887731189 590994784 /nfs/dbraw/zinc/99/47/84/590994784.db2.gz KXINBQBJVIDFEV-ROUUACIJSA-N 1 1 340.427 0.848 20 30 ECEDMO CN1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+](C)CC1 ZINC000888984941 591035809 /nfs/dbraw/zinc/03/58/09/591035809.db2.gz FSRABJNYZGSXRW-GOSISDBHSA-N 1 1 339.443 0.946 20 30 ECEDMO N#Cc1ccccc1OCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889781505 591094429 /nfs/dbraw/zinc/09/44/29/591094429.db2.gz OVXCIYZPCFVQOF-CVEARBPZSA-N 1 1 329.400 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000890377283 591156140 /nfs/dbraw/zinc/15/61/40/591156140.db2.gz IDQNDTLNINGQDB-ZDUSSCGKSA-N 1 1 336.417 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000890377283 591156144 /nfs/dbraw/zinc/15/61/44/591156144.db2.gz IDQNDTLNINGQDB-ZDUSSCGKSA-N 1 1 336.417 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC3(CC2)C[C@H](O)CCO3)C1 ZINC000924037865 611383208 /nfs/dbraw/zinc/38/32/08/611383208.db2.gz WBVRQDIWIYWUCD-HZPDHXFCSA-N 1 1 335.448 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC3(CC2)C[C@H](O)CCO3)C1 ZINC000924037865 611383212 /nfs/dbraw/zinc/38/32/12/611383212.db2.gz WBVRQDIWIYWUCD-HZPDHXFCSA-N 1 1 335.448 0.800 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3CC)CC[C@@H]2C1 ZINC000946653733 611391217 /nfs/dbraw/zinc/39/12/17/611391217.db2.gz DEHFLRKWYRMDPS-KSZLIROESA-N 1 1 333.476 0.901 20 30 ECEDMO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](C[C@H](O)CC#N)C2)CC1 ZINC000930473540 611432314 /nfs/dbraw/zinc/43/23/14/611432314.db2.gz RNNDGFDASXVXLV-HUUCEWRRSA-N 1 1 338.452 0.888 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C2)nc1 ZINC000930542928 611441903 /nfs/dbraw/zinc/44/19/03/611441903.db2.gz ZCEGEZHDWIOKFF-UXLLHSPISA-N 1 1 333.388 0.309 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC000947450198 611542510 /nfs/dbraw/zinc/54/25/10/611542510.db2.gz PUMHHOIMWDBNPT-ZFWWWQNUSA-N 1 1 328.416 0.715 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3OCCNC(=O)[C@H]32)cc1 ZINC000931561720 611550282 /nfs/dbraw/zinc/55/02/82/611550282.db2.gz FVCVUOPLZQGDOE-AEFFLSMTSA-N 1 1 341.411 0.976 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3OCCNC(=O)[C@H]32)cc1 ZINC000931561720 611550283 /nfs/dbraw/zinc/55/02/83/611550283.db2.gz FVCVUOPLZQGDOE-AEFFLSMTSA-N 1 1 341.411 0.976 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000948374839 611551937 /nfs/dbraw/zinc/55/19/37/611551937.db2.gz ZEZZVAQJGILJAF-CABCVRRESA-N 1 1 343.431 0.709 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948416704 611582909 /nfs/dbraw/zinc/58/29/09/611582909.db2.gz MNUOTTXFZVMNLL-HZPDHXFCSA-N 1 1 335.448 0.427 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC000948416869 611583267 /nfs/dbraw/zinc/58/32/67/611583267.db2.gz RFFNJDAHTAEFSM-LSDHHAIUSA-N 1 1 333.432 0.860 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000948425402 611587930 /nfs/dbraw/zinc/58/79/30/611587930.db2.gz QTRDXPUJIDYALL-OAHLLOKOSA-N 1 1 348.447 0.436 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000932048481 611596119 /nfs/dbraw/zinc/59/61/19/611596119.db2.gz WTPYJXFJXMMLMF-UHFFFAOYSA-N 1 1 329.400 0.946 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000948448941 611601152 /nfs/dbraw/zinc/60/11/52/611601152.db2.gz LQJJAYFXNLNKTO-IRXDYDNUSA-N 1 1 348.491 0.485 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@@H]1C ZINC000947592962 611610820 /nfs/dbraw/zinc/61/08/20/611610820.db2.gz IFYKOGFJEBJFAC-LSDHHAIUSA-N 1 1 341.415 0.488 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC000947611129 611618073 /nfs/dbraw/zinc/61/80/73/611618073.db2.gz HFRMAJFDKXKLEG-STQMWFEESA-N 1 1 328.844 0.140 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC000947611129 611618076 /nfs/dbraw/zinc/61/80/76/611618076.db2.gz HFRMAJFDKXKLEG-STQMWFEESA-N 1 1 328.844 0.140 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC#Cc1ccccc1 ZINC000947032312 611620185 /nfs/dbraw/zinc/62/01/85/611620185.db2.gz MSTOEBOEAGQYPN-WBVHZDCISA-N 1 1 338.415 0.694 20 30 ECEDMO COc1ncc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1C#N ZINC000932511180 611635995 /nfs/dbraw/zinc/63/59/95/611635995.db2.gz BCJLHPNYSJGXBE-ZDUSSCGKSA-N 1 1 346.435 0.967 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000924038238 608611962 /nfs/dbraw/zinc/61/19/62/608611962.db2.gz YXPLXSNXVNFTAT-DOTOQJQBSA-N 1 1 334.464 0.637 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC000949291470 608613506 /nfs/dbraw/zinc/61/35/06/608613506.db2.gz FZMBDWAKUBALOC-UHFFFAOYSA-N 1 1 330.388 0.513 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC000949291470 608613509 /nfs/dbraw/zinc/61/35/09/608613509.db2.gz FZMBDWAKUBALOC-UHFFFAOYSA-N 1 1 330.388 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC000936461244 608643038 /nfs/dbraw/zinc/64/30/38/608643038.db2.gz CIUHBIGJYGEAMX-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC000936461244 608643040 /nfs/dbraw/zinc/64/30/40/608643040.db2.gz CIUHBIGJYGEAMX-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC000949346405 608647250 /nfs/dbraw/zinc/64/72/50/608647250.db2.gz GDHRBSJWOCFZAS-UHFFFAOYSA-N 1 1 333.432 0.181 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC000949346405 608647254 /nfs/dbraw/zinc/64/72/54/608647254.db2.gz GDHRBSJWOCFZAS-UHFFFAOYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CS(=O)(=O)C2)CC1 ZINC000948560689 611654584 /nfs/dbraw/zinc/65/45/84/611654584.db2.gz FKGNLIFYRVXTBM-HNNXBMFYSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CCN1CCOC2(CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000949526279 608738754 /nfs/dbraw/zinc/73/87/54/608738754.db2.gz MKHBXACANKUZQY-UHFFFAOYSA-N 1 1 330.432 0.908 20 30 ECEDMO O=C(NCCC[NH+]1CCOCC1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000891428688 608739511 /nfs/dbraw/zinc/73/95/11/608739511.db2.gz BQZBSQJYGKVJGC-UHFFFAOYSA-N 1 1 337.420 0.756 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C ZINC000947458726 608750603 /nfs/dbraw/zinc/75/06/03/608750603.db2.gz IDAYGJTVBHMUEY-YPMHNXCESA-N 1 1 339.417 0.533 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C ZINC000947460355 608755696 /nfs/dbraw/zinc/75/56/96/608755696.db2.gz SRXYGNXNEZFDBG-YPMHNXCESA-N 1 1 339.417 0.533 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C ZINC000947464112 608763905 /nfs/dbraw/zinc/76/39/05/608763905.db2.gz RAENHOKXFBXHAS-UONOGXRCSA-N 1 1 342.871 0.482 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C ZINC000947464112 608763906 /nfs/dbraw/zinc/76/39/06/608763906.db2.gz RAENHOKXFBXHAS-UONOGXRCSA-N 1 1 342.871 0.482 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@@H]1C ZINC000947796511 608786989 /nfs/dbraw/zinc/78/69/89/608786989.db2.gz NTENSAXWMZRSLR-GJZGRUSLSA-N 1 1 348.451 0.724 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC000947229844 608795499 /nfs/dbraw/zinc/79/54/99/608795499.db2.gz HYPTZYBQLAWBCM-QOKNQOGYSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC000947229844 608795502 /nfs/dbraw/zinc/79/55/02/608795502.db2.gz HYPTZYBQLAWBCM-QOKNQOGYSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C[C@@H]2CCOC2)CC1 ZINC000947230013 608809826 /nfs/dbraw/zinc/80/98/26/608809826.db2.gz KMNAXSLZARGRGR-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C[C@@H]2CCOC2)CC1 ZINC000947230013 608809830 /nfs/dbraw/zinc/80/98/30/608809830.db2.gz KMNAXSLZARGRGR-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC000947230217 608812373 /nfs/dbraw/zinc/81/23/73/608812373.db2.gz OMDBBFZNXGPGJH-INIZCTEOSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC000947230217 608812376 /nfs/dbraw/zinc/81/23/76/608812376.db2.gz OMDBBFZNXGPGJH-INIZCTEOSA-N 1 1 343.431 0.157 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H](C)C2)c1 ZINC000947711426 611662861 /nfs/dbraw/zinc/66/28/61/611662861.db2.gz WBQSXUUDNNPXKU-DYVFJYSZSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H](C)C2)c1 ZINC000947711426 611662864 /nfs/dbraw/zinc/66/28/64/611662864.db2.gz WBQSXUUDNNPXKU-DYVFJYSZSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCCCO2)CC1 ZINC000947230484 608821782 /nfs/dbraw/zinc/82/17/82/608821782.db2.gz SVWGZCHODLMRHP-DLBZAZTESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCCCO2)CC1 ZINC000947230484 608821784 /nfs/dbraw/zinc/82/17/84/608821784.db2.gz SVWGZCHODLMRHP-DLBZAZTESA-N 1 1 347.459 0.760 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC000947800416 608859238 /nfs/dbraw/zinc/85/92/38/608859238.db2.gz HOKPTLCRVRAPLL-ZYHUDNBSSA-N 1 1 327.812 0.761 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC000947800416 608859242 /nfs/dbraw/zinc/85/92/42/608859242.db2.gz HOKPTLCRVRAPLL-ZYHUDNBSSA-N 1 1 327.812 0.761 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000937005568 608884886 /nfs/dbraw/zinc/88/48/86/608884886.db2.gz LGGSFGHXSPPEDW-LSDHHAIUSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000937005568 608884887 /nfs/dbraw/zinc/88/48/87/608884887.db2.gz LGGSFGHXSPPEDW-LSDHHAIUSA-N 1 1 335.448 0.733 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000936913542 608911463 /nfs/dbraw/zinc/91/14/63/608911463.db2.gz SFMDISIEBYVRLL-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1C ZINC000947309084 608945157 /nfs/dbraw/zinc/94/51/57/608945157.db2.gz CBVDWYKPGWOJPX-ZIAGYGMSSA-N 1 1 333.432 0.764 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CCN1CCNC1=O ZINC000947216761 608953746 /nfs/dbraw/zinc/95/37/46/608953746.db2.gz HQYIMGYVQHNUBA-OLZOCXBDSA-N 1 1 344.419 0.494 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937197130 609033774 /nfs/dbraw/zinc/03/37/74/609033774.db2.gz ARMUAHBKMSVRIU-DOMZBBRYSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nccn2CC)C1 ZINC000937885529 609374478 /nfs/dbraw/zinc/37/44/78/609374478.db2.gz NMBHDXGGQUWXAG-GJZGRUSLSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nccn2CC)C1 ZINC000937885529 609374479 /nfs/dbraw/zinc/37/44/79/609374479.db2.gz NMBHDXGGQUWXAG-GJZGRUSLSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000937910707 609380275 /nfs/dbraw/zinc/38/02/75/609380275.db2.gz YYKYKHZAABEXJD-AVGNSLFASA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000937910707 609380278 /nfs/dbraw/zinc/38/02/78/609380278.db2.gz YYKYKHZAABEXJD-AVGNSLFASA-N 1 1 325.359 0.456 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000937977448 609430087 /nfs/dbraw/zinc/43/00/87/609430087.db2.gz BCAQMIRMIZFXDW-SJORKVTESA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000937977448 609430090 /nfs/dbraw/zinc/43/00/90/609430090.db2.gz BCAQMIRMIZFXDW-SJORKVTESA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938171020 609483396 /nfs/dbraw/zinc/48/33/96/609483396.db2.gz SGVHYCNUJAWZMQ-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938171020 609483399 /nfs/dbraw/zinc/48/33/99/609483399.db2.gz SGVHYCNUJAWZMQ-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC000938171275 609483983 /nfs/dbraw/zinc/48/39/83/609483983.db2.gz ZYBZAPLCCUCHLM-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC000938171275 609483984 /nfs/dbraw/zinc/48/39/84/609483984.db2.gz ZYBZAPLCCUCHLM-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000938173352 609487325 /nfs/dbraw/zinc/48/73/25/609487325.db2.gz PSGJYCSMZSLXHG-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000938173352 609487328 /nfs/dbraw/zinc/48/73/28/609487328.db2.gz PSGJYCSMZSLXHG-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000908002946 609634853 /nfs/dbraw/zinc/63/48/53/609634853.db2.gz YMIRVDCNTHGOLD-LSDHHAIUSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000908002946 609634854 /nfs/dbraw/zinc/63/48/54/609634854.db2.gz YMIRVDCNTHGOLD-LSDHHAIUSA-N 1 1 335.429 0.778 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)c1C#N ZINC000908285460 609649540 /nfs/dbraw/zinc/64/95/40/609649540.db2.gz QXLUWDDPLJDVBG-MLGOLLRUSA-N 1 1 349.460 0.427 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)/C=C/C(=O)NCc1ccc(OC)cc1 ZINC000908435438 609653708 /nfs/dbraw/zinc/65/37/08/609653708.db2.gz HAJDGPCPRPSFJE-ZHACJKMWSA-N 1 1 343.427 0.939 20 30 ECEDMO C[N@H+]1C[C@@]2(C)CN(C(=O)CCNC(=O)C3N=CC=CC3=O)C[C@@]2(C)C1 ZINC000913289311 609661735 /nfs/dbraw/zinc/66/17/35/609661735.db2.gz SOJPJIBMKMQNCI-JXZCEYDXSA-N 1 1 346.431 0.703 20 30 ECEDMO Cc1cccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1C#N ZINC000919999586 609669686 /nfs/dbraw/zinc/66/96/86/609669686.db2.gz KLMKOIMWLNJNNP-HIFRSBDPSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1C#N ZINC000919999586 609669688 /nfs/dbraw/zinc/66/96/88/609669688.db2.gz KLMKOIMWLNJNNP-HIFRSBDPSA-N 1 1 336.461 0.779 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921321280 609702739 /nfs/dbraw/zinc/70/27/39/609702739.db2.gz CCPUKWSCCQFMKB-QWHCGFSZSA-N 1 1 332.495 0.636 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921321280 609702741 /nfs/dbraw/zinc/70/27/41/609702741.db2.gz CCPUKWSCCQFMKB-QWHCGFSZSA-N 1 1 332.495 0.636 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921322458 609703414 /nfs/dbraw/zinc/70/34/14/609703414.db2.gz SLHYIYFGYMQILV-FRRDWIJNSA-N 1 1 332.495 0.492 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921322458 609703415 /nfs/dbraw/zinc/70/34/15/609703415.db2.gz SLHYIYFGYMQILV-FRRDWIJNSA-N 1 1 332.495 0.492 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)[C@H](C)C2)CC1 ZINC000948071397 609721286 /nfs/dbraw/zinc/72/12/86/609721286.db2.gz XTADKAOFNOWEEN-NVXWUHKLSA-N 1 1 348.491 0.389 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000938370645 609758235 /nfs/dbraw/zinc/75/82/35/609758235.db2.gz IXQQBXFSGFLRPA-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000910920194 609780311 /nfs/dbraw/zinc/78/03/11/609780311.db2.gz QMUJMNVVKZZCNS-IXDOHACOSA-N 1 1 349.475 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000923595214 609780755 /nfs/dbraw/zinc/78/07/55/609780755.db2.gz RPVSYNRBWFUSGA-OAHLLOKOSA-N 1 1 349.456 0.487 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000923595214 609780758 /nfs/dbraw/zinc/78/07/58/609780758.db2.gz RPVSYNRBWFUSGA-OAHLLOKOSA-N 1 1 349.456 0.487 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929752591 609816244 /nfs/dbraw/zinc/81/62/44/609816244.db2.gz MDOAEBXPLCWOSX-ZIAGYGMSSA-N 1 1 341.477 0.079 20 30 ECEDMO C[N@@H+](CCO)C1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1 ZINC000914071823 609849158 /nfs/dbraw/zinc/84/91/58/609849158.db2.gz BQATWXUFCGUXML-UHFFFAOYSA-N 1 1 343.474 0.838 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)C1 ZINC000914117491 609854886 /nfs/dbraw/zinc/85/48/86/609854886.db2.gz SRXQMSBAVWTKID-AWEZNQCLSA-N 1 1 328.482 0.578 20 30 ECEDMO COCCOCCOCC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000929825260 609890346 /nfs/dbraw/zinc/89/03/46/609890346.db2.gz PCVMWNMQHJEBNR-OAHLLOKOSA-N 1 1 349.435 0.538 20 30 ECEDMO COCCOCCOCC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000929825260 609890349 /nfs/dbraw/zinc/89/03/49/609890349.db2.gz PCVMWNMQHJEBNR-OAHLLOKOSA-N 1 1 349.435 0.538 20 30 ECEDMO Cc1[nH+]c(C=NNC(=S)NCCN2CCOCC2)c2ccccn12 ZINC000914601113 609893697 /nfs/dbraw/zinc/89/36/97/609893697.db2.gz JNMUVYODYCDDCB-UHFFFAOYSA-N 1 1 346.460 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccns2)C1 ZINC000938636361 609911938 /nfs/dbraw/zinc/91/19/38/609911938.db2.gz ZTGYKRBKHPWORB-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccns2)C1 ZINC000938636361 609911940 /nfs/dbraw/zinc/91/19/40/609911940.db2.gz ZTGYKRBKHPWORB-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(CC)(CC)C2=O)C1 ZINC000923598682 609961742 /nfs/dbraw/zinc/96/17/42/609961742.db2.gz WVCQNPKIPLEUEO-ZDUSSCGKSA-N 1 1 334.420 0.311 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(CC)(CC)C2=O)C1 ZINC000923598682 609961743 /nfs/dbraw/zinc/96/17/43/609961743.db2.gz WVCQNPKIPLEUEO-ZDUSSCGKSA-N 1 1 334.420 0.311 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cnsn2)C1 ZINC000938756785 609982768 /nfs/dbraw/zinc/98/27/68/609982768.db2.gz YDLQVKUNBKZZSX-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cnsn2)C1 ZINC000938756785 609982769 /nfs/dbraw/zinc/98/27/69/609982769.db2.gz YDLQVKUNBKZZSX-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CCN(C(=O)N[C@H](C)CS(=O)(=O)CC)C1CC[NH+](C)CC1 ZINC000918620078 610011738 /nfs/dbraw/zinc/01/17/38/610011738.db2.gz GWHYBAJQSHHZTQ-CYBMUJFWSA-N 1 1 329.466 0.549 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2nccs2)C1 ZINC000939281312 610143805 /nfs/dbraw/zinc/14/38/05/610143805.db2.gz AISDZBYIAPRMOC-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2nccs2)C1 ZINC000939281312 610143806 /nfs/dbraw/zinc/14/38/06/610143806.db2.gz AISDZBYIAPRMOC-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ncccn3)C2)nn1 ZINC000939277073 610146172 /nfs/dbraw/zinc/14/61/72/610146172.db2.gz KJMLFQOOKVEFPU-OLZOCXBDSA-N 1 1 327.392 0.504 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2[nH]ccc2C)C1 ZINC000940221924 610244577 /nfs/dbraw/zinc/24/45/77/610244577.db2.gz IMXKBHLJJSXOIC-CABCVRRESA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2[nH]ccc2C)C1 ZINC000940221924 610244578 /nfs/dbraw/zinc/24/45/78/610244578.db2.gz IMXKBHLJJSXOIC-CABCVRRESA-N 1 1 328.416 0.751 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000939618873 610249996 /nfs/dbraw/zinc/24/99/96/610249996.db2.gz ZXYWZJSRYMDSLZ-RDTXWAMCSA-N 1 1 337.427 0.976 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1 ZINC000941444474 610309411 /nfs/dbraw/zinc/30/94/11/610309411.db2.gz OEKIQQUAMUOLBF-HZPDHXFCSA-N 1 1 329.448 0.918 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnn4c3CCC4)CC2)C1 ZINC000941430872 610312161 /nfs/dbraw/zinc/31/21/61/610312161.db2.gz DXDUYGAULZHVTE-UHFFFAOYSA-N 1 1 329.448 0.847 20 30 ECEDMO C=CCN1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941437070 610314534 /nfs/dbraw/zinc/31/45/34/610314534.db2.gz QRSLVOCOYAKQRE-MRXNPFEDSA-N 1 1 329.448 0.775 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnc4n3CCC4)CC2)C1 ZINC000941440826 610316611 /nfs/dbraw/zinc/31/66/11/610316611.db2.gz UAGWPGRJGRWBQL-UHFFFAOYSA-N 1 1 329.448 0.847 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(C)nnc3CC)CC2)C1 ZINC000941463011 610321284 /nfs/dbraw/zinc/32/12/84/610321284.db2.gz IMIXTUGNFQROSZ-UHFFFAOYSA-N 1 1 329.448 0.975 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C(C)(C)n3cnc(C)c3)CC2)C1 ZINC000941452375 610326404 /nfs/dbraw/zinc/32/64/04/610326404.db2.gz VNFMORLJGQJHRW-UHFFFAOYSA-N 1 1 331.464 0.941 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940692776 610333043 /nfs/dbraw/zinc/33/30/43/610333043.db2.gz HNAGYSFLEZTCGS-AWEZNQCLSA-N 1 1 331.420 0.805 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc(OC)nc3)CC2)C1 ZINC000941480167 610334988 /nfs/dbraw/zinc/33/49/88/610334988.db2.gz GDIXICIXZKDNOK-UHFFFAOYSA-N 1 1 328.416 0.556 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC000941502327 610345683 /nfs/dbraw/zinc/34/56/83/610345683.db2.gz QBCQOMGJZUMCSB-UHFFFAOYSA-N 1 1 332.404 0.397 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC000941512430 610351891 /nfs/dbraw/zinc/35/18/91/610351891.db2.gz HKBSEEZUZDGNIL-UHFFFAOYSA-N 1 1 333.436 0.447 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnn4cccnc34)CC2)C1 ZINC000941512742 610352449 /nfs/dbraw/zinc/35/24/49/610352449.db2.gz XIMHRFILZAMRNI-UHFFFAOYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCN1CC(N2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CC2)C1 ZINC000941538242 610357793 /nfs/dbraw/zinc/35/77/93/610357793.db2.gz YNQRJQAXZHPOQS-INIZCTEOSA-N 1 1 343.475 0.768 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3[C@@H]3CCCO3)CC2)C1 ZINC000941528847 610360780 /nfs/dbraw/zinc/36/07/80/610360780.db2.gz BYGBIIIQLPHQGG-INIZCTEOSA-N 1 1 345.447 0.889 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cccn3nnnc23)C(C)(C)C1 ZINC000940774577 610366020 /nfs/dbraw/zinc/36/60/20/610366020.db2.gz RRTGOIZLQIUISF-AWEZNQCLSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2ccco2)C1 ZINC000942265417 610368136 /nfs/dbraw/zinc/36/81/36/610368136.db2.gz QMOBJECEJNNPIM-ZBFHGGJFSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2ccco2)C1 ZINC000942265417 610368139 /nfs/dbraw/zinc/36/81/39/610368139.db2.gz QMOBJECEJNNPIM-ZBFHGGJFSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H](C)C1 ZINC000942288730 610381241 /nfs/dbraw/zinc/38/12/41/610381241.db2.gz SAMMGHSWZBVKGZ-OCCSQVGLSA-N 1 1 342.399 0.876 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000941559650 610382071 /nfs/dbraw/zinc/38/20/71/610382071.db2.gz HWAJGHUKIPPPKQ-MRXNPFEDSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnc4cccnn34)CC2)C1 ZINC000941595844 610390465 /nfs/dbraw/zinc/39/04/65/610390465.db2.gz PSDJBZPZVIULHC-UHFFFAOYSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000940843186 610395786 /nfs/dbraw/zinc/39/57/86/610395786.db2.gz YXFQZCVQJKBQME-GFCCVEGCSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940847371 610398371 /nfs/dbraw/zinc/39/83/71/610398371.db2.gz WKTJIMBLXXMGOY-CHWSQXEVSA-N 1 1 331.420 0.396 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCCCN3C(C)=O)CC2)C1 ZINC000941601101 610401563 /nfs/dbraw/zinc/40/15/63/610401563.db2.gz KANHFJKEIWJTBY-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000940867460 610403234 /nfs/dbraw/zinc/40/32/34/610403234.db2.gz AYULSCMQBWSAEI-CYBMUJFWSA-N 1 1 332.404 0.189 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc(=O)n(CC)n3)CC2)C1 ZINC000941607577 610405569 /nfs/dbraw/zinc/40/55/69/610405569.db2.gz RXDGJAKMSDEIPO-UHFFFAOYSA-N 1 1 345.447 0.281 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC(C)CC3)CC2)C1 ZINC000941596391 610413671 /nfs/dbraw/zinc/41/36/71/610413671.db2.gz CXWPJKRZPPGAEG-UHFFFAOYSA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC000941597030 610414316 /nfs/dbraw/zinc/41/43/16/610414316.db2.gz YOWLSZIIQQYVEA-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC000941632518 610418544 /nfs/dbraw/zinc/41/85/44/610418544.db2.gz ITZGHJSVWDHSKG-OAHLLOKOSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3cnn(CC)c3)CC2)C1 ZINC000941634148 610419422 /nfs/dbraw/zinc/41/94/22/610419422.db2.gz FDCRPJLXSQGYBC-UHFFFAOYSA-N 1 1 329.448 0.297 20 30 ECEDMO C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908796 610428622 /nfs/dbraw/zinc/42/86/22/610428622.db2.gz PTOXZVNKDFTAPF-BWRBCVJASA-N 1 1 331.460 0.700 20 30 ECEDMO C#CCN1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908796 610428625 /nfs/dbraw/zinc/42/86/25/610428625.db2.gz PTOXZVNKDFTAPF-BWRBCVJASA-N 1 1 331.460 0.700 20 30 ECEDMO C#CCN1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908796 610428628 /nfs/dbraw/zinc/42/86/28/610428628.db2.gz PTOXZVNKDFTAPF-BWRBCVJASA-N 1 1 331.460 0.700 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000940913363 610430637 /nfs/dbraw/zinc/43/06/37/610430637.db2.gz BBKGSWIBYHOCSN-HNNXBMFYSA-N 1 1 341.415 0.795 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn4ccc(C)nc34)CC2)C1 ZINC000941642789 610436275 /nfs/dbraw/zinc/43/62/75/610436275.db2.gz QBPWMTDAIXPFEJ-UHFFFAOYSA-N 1 1 340.431 0.666 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCN(C3CN(C(C)C)C3)CC2)CC1 ZINC000941677395 610450430 /nfs/dbraw/zinc/45/04/30/610450430.db2.gz OHORUNSCBAAKQC-UHFFFAOYSA-N 1 1 332.492 0.568 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665251 610456809 /nfs/dbraw/zinc/45/68/09/610456809.db2.gz OWFFYNBHWSLCEQ-CQSZACIVSA-N 1 1 326.872 0.519 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000942433368 610458342 /nfs/dbraw/zinc/45/83/42/610458342.db2.gz AWHCZWHBNLFQJI-ZACQAIPSSA-N 1 1 346.475 0.143 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000942437400 610463256 /nfs/dbraw/zinc/46/32/56/610463256.db2.gz QEXBTXCLJNRVEF-CQSZACIVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(CC)n(C)n3)CC2)C1 ZINC000941690263 610465784 /nfs/dbraw/zinc/46/57/84/610465784.db2.gz HYWSZDGUNWOLED-UHFFFAOYSA-N 1 1 329.448 0.448 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000942494979 610480848 /nfs/dbraw/zinc/48/08/48/610480848.db2.gz DAPDIEKUERMLRR-LSDHHAIUSA-N 1 1 343.493 0.815 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)CC2(C)C)c1 ZINC000941015736 610495263 /nfs/dbraw/zinc/49/52/63/610495263.db2.gz SKGMYPVBHADERH-JKSUJKDBSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000941050128 610511165 /nfs/dbraw/zinc/51/11/65/610511165.db2.gz OGAZIZJRTACWMF-ZIAGYGMSSA-N 1 1 330.436 0.476 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000941050213 610511659 /nfs/dbraw/zinc/51/16/59/610511659.db2.gz QDFPQDGSWYFJHA-CABCVRRESA-N 1 1 344.463 0.866 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](OC)C2)C1 ZINC000941855553 610538508 /nfs/dbraw/zinc/53/85/08/610538508.db2.gz KEOYOLOARYVZEJ-RBSFLKMASA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000941153280 610565403 /nfs/dbraw/zinc/56/54/03/610565403.db2.gz YZRRBYIXQDIAJK-DZGCQCFKSA-N 1 1 331.420 0.703 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941928089 610566715 /nfs/dbraw/zinc/56/67/15/610566715.db2.gz AYSQZTGXBAGAFW-RISCZKNCSA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931073 610568355 /nfs/dbraw/zinc/56/83/55/610568355.db2.gz WZPDLHNKENYKMM-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)cn1 ZINC000941168438 610582719 /nfs/dbraw/zinc/58/27/19/610582719.db2.gz CYSNOYFYYOOMGZ-IUODEOHRSA-N 1 1 328.416 0.767 20 30 ECEDMO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964866 610587087 /nfs/dbraw/zinc/58/70/87/610587087.db2.gz VAIBXFNSFUBZIN-IUODEOHRSA-N 1 1 327.392 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000941238262 610621920 /nfs/dbraw/zinc/62/19/20/610621920.db2.gz WRQFDWALWPOVRL-OAFZBRQQSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000941238262 610621921 /nfs/dbraw/zinc/62/19/21/610621921.db2.gz WRQFDWALWPOVRL-OAFZBRQQSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2csnc2C)C1 ZINC000941238091 610622422 /nfs/dbraw/zinc/62/24/22/610622422.db2.gz STLUOJZYRSKTDV-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2csnc2C)C1 ZINC000941238091 610622424 /nfs/dbraw/zinc/62/24/24/610622424.db2.gz STLUOJZYRSKTDV-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942057817 610636117 /nfs/dbraw/zinc/63/61/17/610636117.db2.gz PQNZAAIKMWRLLV-SMDDNHRTSA-N 1 1 345.432 0.633 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCCN(C(=O)[C@H](C)C#N)CC1)CC2 ZINC000942103170 610651933 /nfs/dbraw/zinc/65/19/33/610651933.db2.gz LXTBXKSVVZLFBE-UKRRQHHQSA-N 1 1 343.431 0.975 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000942105057 610652405 /nfs/dbraw/zinc/65/24/05/610652405.db2.gz GNURQXKUGAUAEE-AAEUAGOBSA-N 1 1 349.884 0.601 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000942105057 610652406 /nfs/dbraw/zinc/65/24/06/610652406.db2.gz GNURQXKUGAUAEE-AAEUAGOBSA-N 1 1 349.884 0.601 20 30 ECEDMO CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000942852623 610657559 /nfs/dbraw/zinc/65/75/59/610657559.db2.gz RRNVNTDRPMAKNH-CHWSQXEVSA-N 1 1 347.419 0.959 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1C ZINC000947900151 610681924 /nfs/dbraw/zinc/68/19/24/610681924.db2.gz PINPUODWKIKUHU-GJZGRUSLSA-N 1 1 347.463 0.926 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+](CCc3ccns3)C2)CC1 ZINC000941347909 610684457 /nfs/dbraw/zinc/68/44/57/610684457.db2.gz GNHGPAAOCVBDRT-ZDUSSCGKSA-N 1 1 333.461 0.674 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC000942201537 610694090 /nfs/dbraw/zinc/69/40/90/610694090.db2.gz XJHMTIIXMBGYQK-ZYHUDNBSSA-N 1 1 327.816 0.161 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC000942201537 610694092 /nfs/dbraw/zinc/69/40/92/610694092.db2.gz XJHMTIIXMBGYQK-ZYHUDNBSSA-N 1 1 327.816 0.161 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H](C)C1 ZINC000942206788 610696509 /nfs/dbraw/zinc/69/65/09/610696509.db2.gz FGPDYEYLDIJLLX-ZIAGYGMSSA-N 1 1 342.403 0.783 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000941391185 610705112 /nfs/dbraw/zinc/70/51/12/610705112.db2.gz VHAOTDCDDFXAEK-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2C)nc1 ZINC000944192967 610776110 /nfs/dbraw/zinc/77/61/10/610776110.db2.gz PJVANSGMKFOHIP-GDBMZVCRSA-N 1 1 338.415 0.795 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C#CC3CC3)C2)O1 ZINC000943336768 610807509 /nfs/dbraw/zinc/80/75/09/610807509.db2.gz DIZRTLOSJJLORP-DJIMGWMZSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C#CC3CC3)C2)O1 ZINC000943336768 610807510 /nfs/dbraw/zinc/80/75/10/610807510.db2.gz DIZRTLOSJJLORP-DJIMGWMZSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)COC)C2)CC1 ZINC000944968322 610861259 /nfs/dbraw/zinc/86/12/59/610861259.db2.gz YZGFXMAQCCUKDJ-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)COC)C2)CC1 ZINC000944968322 610861262 /nfs/dbraw/zinc/86/12/62/610861262.db2.gz YZGFXMAQCCUKDJ-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC000943590962 610906086 /nfs/dbraw/zinc/90/60/86/610906086.db2.gz AFUJXMYCBFSBBO-RRFJBIMHSA-N 1 1 337.464 0.882 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000943680564 610940726 /nfs/dbraw/zinc/94/07/26/610940726.db2.gz LDVOUFLRSJISIV-MGPQQGTHSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cocn2)CC1 ZINC000945248961 610981524 /nfs/dbraw/zinc/98/15/24/610981524.db2.gz VXXBLYZXEJWUGY-HNNXBMFYSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cocn2)CC1 ZINC000945248961 610981525 /nfs/dbraw/zinc/98/15/25/610981525.db2.gz VXXBLYZXEJWUGY-HNNXBMFYSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC000944630560 611032933 /nfs/dbraw/zinc/03/29/33/611032933.db2.gz GOGRMWDWOUSXJN-SJORKVTESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC000944630560 611032934 /nfs/dbraw/zinc/03/29/34/611032934.db2.gz GOGRMWDWOUSXJN-SJORKVTESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)/C=C/C2CC2)CCO1 ZINC000944649016 611057991 /nfs/dbraw/zinc/05/79/91/611057991.db2.gz YCGKDUUAZLFJJM-FNQZAJIHSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)/C=C/C2CC2)CCO1 ZINC000944649016 611057994 /nfs/dbraw/zinc/05/79/94/611057994.db2.gz YCGKDUUAZLFJJM-FNQZAJIHSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC1(F)F ZINC000944001865 611076984 /nfs/dbraw/zinc/07/69/84/611076984.db2.gz QABHEBUHZNGKHU-MCIONIFRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC1(F)F ZINC000944001865 611076987 /nfs/dbraw/zinc/07/69/87/611076987.db2.gz QABHEBUHZNGKHU-MCIONIFRSA-N 1 1 339.386 0.846 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H](C)C1 ZINC000944034595 611098226 /nfs/dbraw/zinc/09/82/26/611098226.db2.gz VZZHCVMHVZYAEL-CABCVRRESA-N 1 1 347.463 0.784 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)nn1 ZINC000946815544 611170316 /nfs/dbraw/zinc/17/03/16/611170316.db2.gz DONDXXKRHZECTQ-OKILXGFUSA-N 1 1 346.435 0.124 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2CC1 ZINC000946818054 611171464 /nfs/dbraw/zinc/17/14/64/611171464.db2.gz CCCQJOLGTREAIT-DFGXFYAUSA-N 1 1 349.475 0.884 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)CC[C@@H]2C1 ZINC000946881005 611221245 /nfs/dbraw/zinc/22/12/45/611221245.db2.gz QGAQFWQHQFJNSB-IYBDPMFKSA-N 1 1 345.447 0.084 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC[C@@H]2C1 ZINC000946884988 611225086 /nfs/dbraw/zinc/22/50/86/611225086.db2.gz ULJHWROIDDAYTA-MJBXVCDLSA-N 1 1 334.420 0.331 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)CC[C@@H]2C1 ZINC000946918053 611260564 /nfs/dbraw/zinc/26/05/64/611260564.db2.gz BGZYJIHSOYXHTM-IYBDPMFKSA-N 1 1 340.427 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C1 ZINC000923560070 611261473 /nfs/dbraw/zinc/26/14/73/611261473.db2.gz MSOCTDMOPFWAPB-UONOGXRCSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C1 ZINC000923560070 611261474 /nfs/dbraw/zinc/26/14/74/611261474.db2.gz MSOCTDMOPFWAPB-UONOGXRCSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CNS(C)(=O)=O)o2)C1 ZINC000923569874 611264447 /nfs/dbraw/zinc/26/44/47/611264447.db2.gz QXOATZNCUSXZEL-GFCCVEGCSA-N 1 1 339.417 0.156 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CNS(C)(=O)=O)o2)C1 ZINC000923569874 611264448 /nfs/dbraw/zinc/26/44/48/611264448.db2.gz QXOATZNCUSXZEL-GFCCVEGCSA-N 1 1 339.417 0.156 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000923579276 611267953 /nfs/dbraw/zinc/26/79/53/611267953.db2.gz PMVLMUHWERVBOY-INIZCTEOSA-N 1 1 349.456 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000923579276 611267955 /nfs/dbraw/zinc/26/79/55/611267955.db2.gz PMVLMUHWERVBOY-INIZCTEOSA-N 1 1 349.456 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000923579998 611268377 /nfs/dbraw/zinc/26/83/77/611268377.db2.gz VMXZXCWABYEMKA-ZIAGYGMSSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000923579998 611268379 /nfs/dbraw/zinc/26/83/79/611268379.db2.gz VMXZXCWABYEMKA-ZIAGYGMSSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000923589389 611270265 /nfs/dbraw/zinc/27/02/65/611270265.db2.gz PYNWXVQLLSPBCO-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000923589389 611270266 /nfs/dbraw/zinc/27/02/66/611270266.db2.gz PYNWXVQLLSPBCO-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000923589614 611270391 /nfs/dbraw/zinc/27/03/91/611270391.db2.gz IDTUQDAYLGZUSM-OAHLLOKOSA-N 1 1 340.427 0.944 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000923589614 611270393 /nfs/dbraw/zinc/27/03/93/611270393.db2.gz IDTUQDAYLGZUSM-OAHLLOKOSA-N 1 1 340.427 0.944 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000923589612 611270639 /nfs/dbraw/zinc/27/06/39/611270639.db2.gz IDTUQDAYLGZUSM-HNNXBMFYSA-N 1 1 340.427 0.944 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000923589612 611270640 /nfs/dbraw/zinc/27/06/40/611270640.db2.gz IDTUQDAYLGZUSM-HNNXBMFYSA-N 1 1 340.427 0.944 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)OCC(F)(F)F)C1 ZINC000923584735 611271573 /nfs/dbraw/zinc/27/15/73/611271573.db2.gz WZDOIZSTVWBRAS-LLVKDONJSA-N 1 1 335.326 0.879 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)OCC(F)(F)F)C1 ZINC000923584735 611271574 /nfs/dbraw/zinc/27/15/74/611271574.db2.gz WZDOIZSTVWBRAS-LLVKDONJSA-N 1 1 335.326 0.879 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C ZINC000947925846 611285509 /nfs/dbraw/zinc/28/55/09/611285509.db2.gz SIJWICVBLFVFEE-GHMZBOCLSA-N 1 1 334.376 0.502 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cncnc2)CC1 ZINC000946533377 611306213 /nfs/dbraw/zinc/30/62/13/611306213.db2.gz SKGMAJDFQDHDPQ-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cncnc2)CC1 ZINC000946533377 611306216 /nfs/dbraw/zinc/30/62/16/611306216.db2.gz SKGMAJDFQDHDPQ-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]3CC2)c1 ZINC000946542001 611313772 /nfs/dbraw/zinc/31/37/72/611313772.db2.gz AMNNMCLNUYXTKF-IJEWVQPXSA-N 1 1 341.415 0.559 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]3CC2)c1 ZINC000946542002 611313911 /nfs/dbraw/zinc/31/39/11/611313911.db2.gz AMNNMCLNUYXTKF-LZWOXQAQSA-N 1 1 341.415 0.559 20 30 ECEDMO COc1ccnc(C=NNC(=S)NCCC[NH+]2CCOCC2)n1 ZINC000842522635 611314647 /nfs/dbraw/zinc/31/46/47/611314647.db2.gz RAPFREUDYWTHBG-UHFFFAOYSA-N 1 1 338.437 0.006 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921911703 611325786 /nfs/dbraw/zinc/32/57/86/611325786.db2.gz RSFYHKKWTRZEHU-JSGCOSHPSA-N 1 1 330.454 0.308 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@H](C)C1 ZINC000947903168 611736728 /nfs/dbraw/zinc/73/67/28/611736728.db2.gz DTCSBBQUHAGCFZ-KGLIPLIRSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@H](C)C1 ZINC000947903168 611736730 /nfs/dbraw/zinc/73/67/30/611736730.db2.gz DTCSBBQUHAGCFZ-KGLIPLIRSA-N 1 1 346.431 0.975 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1 ZINC000933762871 611748389 /nfs/dbraw/zinc/74/83/89/611748389.db2.gz IMYZMIAVEYSSBQ-DAYGRLMNSA-N 1 1 329.400 0.885 20 30 ECEDMO COCC[N@H+](Cc1ccc(C#N)cc1)CC1CN(S(C)(=O)=O)C1 ZINC000929395323 611750220 /nfs/dbraw/zinc/75/02/20/611750220.db2.gz QCWHYJPEIISCPW-UHFFFAOYSA-N 1 1 337.445 0.898 20 30 ECEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C)CC[N@@H+](C)CC1 ZINC000933993184 611764217 /nfs/dbraw/zinc/76/42/17/611764217.db2.gz UAHOQZUCTOZUJD-KRWDZBQOSA-N 1 1 330.432 0.952 20 30 ECEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(C)CC[N@@H+](C)CC1 ZINC000933992598 611764381 /nfs/dbraw/zinc/76/43/81/611764381.db2.gz ICFAPXXTKSGHSP-QGZVFWFLSA-N 1 1 330.432 0.952 20 30 ECEDMO C#C[C@H]1CCCC[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000934512834 611805665 /nfs/dbraw/zinc/80/56/65/611805665.db2.gz AAHQRVOXRMTJJH-HNNXBMFYSA-N 1 1 349.456 0.480 20 30 ECEDMO C#C[C@H]1CCCC[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000934512834 611805667 /nfs/dbraw/zinc/80/56/67/611805667.db2.gz AAHQRVOXRMTJJH-HNNXBMFYSA-N 1 1 349.456 0.480 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000950645441 611814736 /nfs/dbraw/zinc/81/47/36/611814736.db2.gz XQSGNXWBWXZHFI-YUELXQCFSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000950645441 611814737 /nfs/dbraw/zinc/81/47/37/611814737.db2.gz XQSGNXWBWXZHFI-YUELXQCFSA-N 1 1 329.404 0.084 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)c1ncn(C)n1)CCO2 ZINC000949086311 611848469 /nfs/dbraw/zinc/84/84/69/611848469.db2.gz DEBJURXAQJIOEB-UHFFFAOYSA-N 1 1 339.827 0.875 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC000950072653 611857455 /nfs/dbraw/zinc/85/74/55/611857455.db2.gz YVUVEQHHFWKPEI-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC000950072653 611857459 /nfs/dbraw/zinc/85/74/59/611857459.db2.gz YVUVEQHHFWKPEI-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000950076441 611858601 /nfs/dbraw/zinc/85/86/01/611858601.db2.gz DNQSLCNIHYNLHM-IAGOWNOFSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000950076441 611858602 /nfs/dbraw/zinc/85/86/02/611858602.db2.gz DNQSLCNIHYNLHM-IAGOWNOFSA-N 1 1 346.475 0.000 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000950080821 611861492 /nfs/dbraw/zinc/86/14/92/611861492.db2.gz SMUAHOZPKJWTIF-IAGOWNOFSA-N 1 1 325.412 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)nc1 ZINC000949142535 611872824 /nfs/dbraw/zinc/87/28/24/611872824.db2.gz BJLDGQDVQBPMNT-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCNC1=O)CCO2 ZINC000949153838 611878845 /nfs/dbraw/zinc/87/88/45/611878845.db2.gz IJQXGIHATHWVBA-ZDUSSCGKSA-N 1 1 341.839 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCn1cccn1 ZINC000950753111 611888931 /nfs/dbraw/zinc/88/89/31/611888931.db2.gz GZXDIKOFIOOOTK-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCn1cccn1 ZINC000950753111 611888932 /nfs/dbraw/zinc/88/89/32/611888932.db2.gz GZXDIKOFIOOOTK-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cccn1C ZINC000950753958 611889378 /nfs/dbraw/zinc/88/93/78/611889378.db2.gz PDWPOJKWSUUFMD-GJZGRUSLSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cccn1C ZINC000950753958 611889380 /nfs/dbraw/zinc/88/93/80/611889380.db2.gz PDWPOJKWSUUFMD-GJZGRUSLSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccnc(C)n1 ZINC000950755738 611891304 /nfs/dbraw/zinc/89/13/04/611891304.db2.gz STEDPZYOFIKTAG-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccnc(C)n1 ZINC000950755738 611891305 /nfs/dbraw/zinc/89/13/05/611891305.db2.gz STEDPZYOFIKTAG-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC000950818585 611924239 /nfs/dbraw/zinc/92/42/39/611924239.db2.gz UTDIYMRWBQLYAB-UHFFFAOYSA-N 1 1 334.420 0.612 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC000950252911 611929222 /nfs/dbraw/zinc/92/92/22/611929222.db2.gz BWUQDXKACZFXLA-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC000950252911 611929223 /nfs/dbraw/zinc/92/92/23/611929223.db2.gz BWUQDXKACZFXLA-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC000950277168 611946533 /nfs/dbraw/zinc/94/65/33/611946533.db2.gz JPFDICXDJNKJKO-CVEARBPZSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC000950277168 611946535 /nfs/dbraw/zinc/94/65/35/611946535.db2.gz JPFDICXDJNKJKO-CVEARBPZSA-N 1 1 343.431 0.157 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000949346610 611947102 /nfs/dbraw/zinc/94/71/02/611947102.db2.gz NSXOAPQYULFOKW-UHFFFAOYSA-N 1 1 337.464 0.588 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)CC2)C1 ZINC000949379280 611957631 /nfs/dbraw/zinc/95/76/31/611957631.db2.gz WBLMWGMDIPBXTM-CQSZACIVSA-N 1 1 349.431 0.403 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)CC2)C1 ZINC000949379280 611957632 /nfs/dbraw/zinc/95/76/32/611957632.db2.gz WBLMWGMDIPBXTM-CQSZACIVSA-N 1 1 349.431 0.403 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000949390279 611961400 /nfs/dbraw/zinc/96/14/00/611961400.db2.gz AXSWRIIISFCBMC-HIFRSBDPSA-N 1 1 336.436 0.222 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000949390279 611961403 /nfs/dbraw/zinc/96/14/03/611961403.db2.gz AXSWRIIISFCBMC-HIFRSBDPSA-N 1 1 336.436 0.222 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N[C@@H](C)C3)CC2)C1 ZINC000949401426 611965948 /nfs/dbraw/zinc/96/59/48/611965948.db2.gz BXHZWVAZKCZPSX-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N[C@@H](C)C3)CC2)C1 ZINC000949401426 611965950 /nfs/dbraw/zinc/96/59/50/611965950.db2.gz BXHZWVAZKCZPSX-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000950319399 611969474 /nfs/dbraw/zinc/96/94/74/611969474.db2.gz FHYWKKCAMKENCD-CQSZACIVSA-N 1 1 340.387 0.812 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC000949433477 611978521 /nfs/dbraw/zinc/97/85/21/611978521.db2.gz WDTUQPDHPLFXGH-UHFFFAOYSA-N 1 1 346.431 0.759 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC000949433477 611978524 /nfs/dbraw/zinc/97/85/24/611978524.db2.gz WDTUQPDHPLFXGH-UHFFFAOYSA-N 1 1 346.431 0.759 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC000949447696 611984090 /nfs/dbraw/zinc/98/40/90/611984090.db2.gz YYNQXDRLEAIUEZ-UHFFFAOYSA-N 1 1 344.415 0.821 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949449296 611984877 /nfs/dbraw/zinc/98/48/77/611984877.db2.gz MWYAVCWJRVFALV-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949449296 611984878 /nfs/dbraw/zinc/98/48/78/611984878.db2.gz MWYAVCWJRVFALV-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC000949473162 611992676 /nfs/dbraw/zinc/99/26/76/611992676.db2.gz UVPRBROVHUZKLV-CABCVRRESA-N 1 1 335.448 0.767 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC000949473162 611992677 /nfs/dbraw/zinc/99/26/77/611992677.db2.gz UVPRBROVHUZKLV-CABCVRRESA-N 1 1 335.448 0.767 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000949496167 612006200 /nfs/dbraw/zinc/00/62/00/612006200.db2.gz VTRFHPMAFCGDOG-UHFFFAOYSA-N 1 1 335.448 0.035 20 30 ECEDMO CC#CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000949529391 612022370 /nfs/dbraw/zinc/02/23/70/612022370.db2.gz RFWWRUMOAIGHJE-KRWDZBQOSA-N 1 1 349.475 0.424 20 30 ECEDMO CC#CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000949529391 612022372 /nfs/dbraw/zinc/02/23/72/612022372.db2.gz RFWWRUMOAIGHJE-KRWDZBQOSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC000950475291 612033911 /nfs/dbraw/zinc/03/39/11/612033911.db2.gz YBRHTDIEMZKDMU-CVEARBPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000950507680 612045131 /nfs/dbraw/zinc/04/51/31/612045131.db2.gz BINCRUQVFBBIEU-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950518140 612049942 /nfs/dbraw/zinc/04/99/42/612049942.db2.gz XHUMZTLHWDIIBQ-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nc(C)no2)C1 ZINC000950533787 612057764 /nfs/dbraw/zinc/05/77/64/612057764.db2.gz MFMLUSILWZTLJF-HNNXBMFYSA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nc(C)no2)C1 ZINC000950533787 612057765 /nfs/dbraw/zinc/05/77/65/612057765.db2.gz MFMLUSILWZTLJF-HNNXBMFYSA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C ZINC000949814497 612080613 /nfs/dbraw/zinc/08/06/13/612080613.db2.gz ZSMIEVJDOKGJOL-BMFZPTHFSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C ZINC000949814497 612080614 /nfs/dbraw/zinc/08/06/14/612080614.db2.gz ZSMIEVJDOKGJOL-BMFZPTHFSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC000951223751 612088455 /nfs/dbraw/zinc/08/84/55/612088455.db2.gz PCKZWULMCUZKQN-CVEARBPZSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC000951223751 612088457 /nfs/dbraw/zinc/08/84/57/612088457.db2.gz PCKZWULMCUZKQN-CVEARBPZSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000951223934 612088937 /nfs/dbraw/zinc/08/89/37/612088937.db2.gz TXIMNUTZCYYFEY-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000951223934 612088940 /nfs/dbraw/zinc/08/89/40/612088940.db2.gz TXIMNUTZCYYFEY-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000951223989 612089091 /nfs/dbraw/zinc/08/90/91/612089091.db2.gz VHCWBRQBQKMEBV-HIFRSBDPSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000951223989 612089093 /nfs/dbraw/zinc/08/90/93/612089093.db2.gz VHCWBRQBQKMEBV-HIFRSBDPSA-N 1 1 329.404 0.228 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000951875583 612107186 /nfs/dbraw/zinc/10/71/86/612107186.db2.gz ILHJDPKOHNMDKT-VXGBXAGGSA-N 1 1 333.392 0.617 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C[C@H]2CC[N@H+](C)C2)nc1 ZINC000951377940 612194418 /nfs/dbraw/zinc/19/44/18/612194418.db2.gz KNBODWDGVLVRKY-CVEARBPZSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC000951382055 612196546 /nfs/dbraw/zinc/19/65/46/612196546.db2.gz SEFQWLITOACSEG-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1)C2 ZINC000952152562 612251463 /nfs/dbraw/zinc/25/14/63/612251463.db2.gz JPPIBSFUMCAHQL-CVEARBPZSA-N 1 1 340.427 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC000951539419 612323233 /nfs/dbraw/zinc/32/32/33/612323233.db2.gz XRCFWQFQIUMIPF-ZFWWWQNUSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC000951539419 612323239 /nfs/dbraw/zinc/32/32/39/612323239.db2.gz XRCFWQFQIUMIPF-ZFWWWQNUSA-N 1 1 343.431 0.400 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC000955263772 612393382 /nfs/dbraw/zinc/39/33/82/612393382.db2.gz JWZPWEMHRVIABJ-UHFFFAOYSA-N 1 1 337.383 0.551 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC2(F)F)C1 ZINC000954583182 612420615 /nfs/dbraw/zinc/42/06/15/612420615.db2.gz XVXHLBMLOMIGND-KGLIPLIRSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC2(F)F)C1 ZINC000954583182 612420617 /nfs/dbraw/zinc/42/06/17/612420617.db2.gz XVXHLBMLOMIGND-KGLIPLIRSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000954630817 612468312 /nfs/dbraw/zinc/46/83/12/612468312.db2.gz KUSVWVCRWTUPHC-PVAVHDDUSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000954630817 612468316 /nfs/dbraw/zinc/46/83/16/612468316.db2.gz KUSVWVCRWTUPHC-PVAVHDDUSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000954631171 612469512 /nfs/dbraw/zinc/46/95/12/612469512.db2.gz QZPTWERYSGCPDJ-STQMWFEESA-N 1 1 325.359 0.408 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000954631171 612469514 /nfs/dbraw/zinc/46/95/14/612469514.db2.gz QZPTWERYSGCPDJ-STQMWFEESA-N 1 1 325.359 0.408 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](OC)C(C)C)C1 ZINC000954631159 612469664 /nfs/dbraw/zinc/46/96/64/612469664.db2.gz QPZKXJJHQPPSEC-JKSUJKDBSA-N 1 1 335.448 0.424 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](OC)C(C)C)C1 ZINC000954631159 612469667 /nfs/dbraw/zinc/46/96/67/612469667.db2.gz QPZKXJJHQPPSEC-JKSUJKDBSA-N 1 1 335.448 0.424 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(F)c[nH]2)C1 ZINC000954631682 612470128 /nfs/dbraw/zinc/47/01/28/612470128.db2.gz JSOUQCSKZJNPDB-HNNXBMFYSA-N 1 1 332.379 0.534 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(F)c[nH]2)C1 ZINC000954631682 612470132 /nfs/dbraw/zinc/47/01/32/612470132.db2.gz JSOUQCSKZJNPDB-HNNXBMFYSA-N 1 1 332.379 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000955344158 612471046 /nfs/dbraw/zinc/47/10/46/612471046.db2.gz JNEKFSHJYOQYOE-AWEZNQCLSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC000955349210 612481517 /nfs/dbraw/zinc/48/15/17/612481517.db2.gz KSZNKJUTUZWMFW-BBRMVZONSA-N 1 1 340.427 0.543 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000951700418 612484171 /nfs/dbraw/zinc/48/41/71/612484171.db2.gz ZMTVLFJZYAWUGM-ZOBUZTSGSA-N 1 1 345.447 0.891 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000955927671 612495103 /nfs/dbraw/zinc/49/51/03/612495103.db2.gz RMFSGLQZCYIOMP-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@](C)(NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000956775473 612514841 /nfs/dbraw/zinc/51/48/41/612514841.db2.gz LNTDOYUCNCOTQO-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956802329 612565236 /nfs/dbraw/zinc/56/52/36/612565236.db2.gz KZZLBQZCMSSHPI-ACJLOTCBSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)CSC)CC1 ZINC000954042895 612585089 /nfs/dbraw/zinc/58/50/89/612585089.db2.gz IFBBFNMHSIULRU-HNNXBMFYSA-N 1 1 337.489 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)CSC)CC1 ZINC000954042895 612585091 /nfs/dbraw/zinc/58/50/91/612585091.db2.gz IFBBFNMHSIULRU-HNNXBMFYSA-N 1 1 337.489 0.896 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC000951785580 612610261 /nfs/dbraw/zinc/61/02/61/612610261.db2.gz UWVULONRNZTFEL-IMJJTQAJSA-N 1 1 345.447 0.889 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC000956019403 612616851 /nfs/dbraw/zinc/61/68/51/612616851.db2.gz DZTUDWOPZBKKSX-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1nc(C)c[nH]1 ZINC000956032112 612634623 /nfs/dbraw/zinc/63/46/23/612634623.db2.gz UEKMSLOZQVVZBZ-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1nc(C)c[nH]1 ZINC000956032112 612634629 /nfs/dbraw/zinc/63/46/29/612634629.db2.gz UEKMSLOZQVVZBZ-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000954088556 612647121 /nfs/dbraw/zinc/64/71/21/612647121.db2.gz QZKRUYOBAIBVAM-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000954797572 612691550 /nfs/dbraw/zinc/69/15/50/612691550.db2.gz KZIUOMPGGMJINM-GFCCVEGCSA-N 1 1 329.404 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2=CCOCC2)C1 ZINC000954128960 612695727 /nfs/dbraw/zinc/69/57/27/612695727.db2.gz PIDNEPYUONCWKQ-INIZCTEOSA-N 1 1 331.416 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2=CCOCC2)C1 ZINC000954128960 612695729 /nfs/dbraw/zinc/69/57/29/612695729.db2.gz PIDNEPYUONCWKQ-INIZCTEOSA-N 1 1 331.416 0.100 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000956934099 612716529 /nfs/dbraw/zinc/71/65/29/612716529.db2.gz BYJFPHQIXSQFOP-DNVCBOLYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000954840116 612735439 /nfs/dbraw/zinc/73/54/39/612735439.db2.gz KXVAXAWMHNCQRY-OAHLLOKOSA-N 1 1 340.427 0.688 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000246028717 612762761 /nfs/dbraw/zinc/76/27/61/612762761.db2.gz NHNSYIRPWKYROE-DZGCQCFKSA-N 1 1 338.433 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1conc1C ZINC000956187642 612767996 /nfs/dbraw/zinc/76/79/96/612767996.db2.gz KOTRNLMPDHJRKT-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1conc1C ZINC000956187642 612767999 /nfs/dbraw/zinc/76/79/99/612767999.db2.gz KOTRNLMPDHJRKT-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000954912381 612781858 /nfs/dbraw/zinc/78/18/58/612781858.db2.gz IMDGVMFLQJEWDK-AWEZNQCLSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000954307851 612840158 /nfs/dbraw/zinc/84/01/58/612840158.db2.gz GZMFACRISAMJSJ-CYBMUJFWSA-N 1 1 346.435 0.089 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001078035909 782187709 /nfs/dbraw/zinc/18/77/09/782187709.db2.gz XKGFNTJRPISYQS-KZNAEPCWSA-N 1 1 328.412 0.875 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001078035909 782187715 /nfs/dbraw/zinc/18/77/15/782187715.db2.gz XKGFNTJRPISYQS-KZNAEPCWSA-N 1 1 328.412 0.875 20 30 ECEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(C)nc(C#N)n1)CC2 ZINC001164685688 719722898 /nfs/dbraw/zinc/72/28/98/719722898.db2.gz MZCYENWITJHCQD-UHFFFAOYSA-N 1 1 328.420 0.838 20 30 ECEDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001164716434 720207899 /nfs/dbraw/zinc/20/78/99/720207899.db2.gz CTOTYIYNAPEHDS-GOSISDBHSA-N 1 1 343.431 0.618 20 30 ECEDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001164716434 720207908 /nfs/dbraw/zinc/20/79/08/720207908.db2.gz CTOTYIYNAPEHDS-GOSISDBHSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC001041782437 782195841 /nfs/dbraw/zinc/19/58/41/782195841.db2.gz XRDYXYXUAYCOGS-CRAIPNDOSA-N 1 1 332.448 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cncn3C)C2)C1=O ZINC000971874915 735296401 /nfs/dbraw/zinc/29/64/01/735296401.db2.gz JEGRTAIXJZUGKT-KGLIPLIRSA-N 1 1 331.420 0.353 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1 ZINC000971874733 735296512 /nfs/dbraw/zinc/29/65/12/735296512.db2.gz KJQMHHOIXLPPLT-XJKCOSOUSA-N 1 1 341.415 0.511 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC001041787283 782208236 /nfs/dbraw/zinc/20/82/36/782208236.db2.gz YMKCZMXHUHXYLQ-QGZVFWFLSA-N 1 1 346.387 0.458 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001104537407 738446656 /nfs/dbraw/zinc/44/66/56/738446656.db2.gz DROYBSJLJPHZNX-GXTWGEPZSA-N 1 1 346.435 0.500 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001104537407 738446658 /nfs/dbraw/zinc/44/66/58/738446658.db2.gz DROYBSJLJPHZNX-GXTWGEPZSA-N 1 1 346.435 0.500 20 30 ECEDMO Cc1nc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001104538186 738447065 /nfs/dbraw/zinc/44/70/65/738447065.db2.gz LRRQHXAEIMTBOI-IUODEOHRSA-N 1 1 331.420 0.851 20 30 ECEDMO Cc1nc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001104538186 738447071 /nfs/dbraw/zinc/44/70/71/738447071.db2.gz LRRQHXAEIMTBOI-IUODEOHRSA-N 1 1 331.420 0.851 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001078054518 782218452 /nfs/dbraw/zinc/21/84/52/782218452.db2.gz HIOOPQQRNLHPNP-ZIAGYGMSSA-N 1 1 326.356 0.134 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC000969153160 731533463 /nfs/dbraw/zinc/53/34/63/731533463.db2.gz BHZWNQMGWWNPLY-IRXDYDNUSA-N 1 1 335.448 0.618 20 30 ECEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC000969156439 731540680 /nfs/dbraw/zinc/54/06/80/731540680.db2.gz SMLUXMPMCNKPMM-CQSZACIVSA-N 1 1 348.451 0.704 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)nc1 ZINC001041793172 782219548 /nfs/dbraw/zinc/21/95/48/782219548.db2.gz FLZSYCMSNXHAQR-ACJLOTCBSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@H](C)C(=O)NC)C3)C2)nc1 ZINC001041793454 782221605 /nfs/dbraw/zinc/22/16/05/782221605.db2.gz KNSQAJQGVIJWSS-KUHUBIRLSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C)nn3C)C2)C1=O ZINC000969366638 731769364 /nfs/dbraw/zinc/76/93/64/731769364.db2.gz XZJCMNZAUDNCOL-DZGCQCFKSA-N 1 1 345.447 0.566 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)N2CCCC2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973010662 738538127 /nfs/dbraw/zinc/53/81/27/738538127.db2.gz NXPCJLGELDXVJO-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973010662 738538128 /nfs/dbraw/zinc/53/81/28/738538128.db2.gz NXPCJLGELDXVJO-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCCC(=O)N3)[C@H]2C1 ZINC001083190433 731901055 /nfs/dbraw/zinc/90/10/55/731901055.db2.gz LCPGEGIVUKTPKZ-HRCADAONSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CC[C@H](CNc2cc(CC)[nH+]c(C)n2)C1 ZINC001098523893 731946657 /nfs/dbraw/zinc/94/66/57/731946657.db2.gz LHWPIGNMFQNQQM-CQSZACIVSA-N 1 1 343.431 0.747 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cnnc(C)c3)C2)C1=O ZINC000969560008 731967439 /nfs/dbraw/zinc/96/74/39/731967439.db2.gz BHXQRRPSJXVAOP-CJNGLKHVSA-N 1 1 343.431 0.622 20 30 ECEDMO C[C@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969596948 731994884 /nfs/dbraw/zinc/99/48/84/731994884.db2.gz WQTZKIDVNUYRMF-XJKSGUPXSA-N 1 1 327.384 0.583 20 30 ECEDMO C[C@@H](NC(=O)c1cnnn1C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969600181 731996953 /nfs/dbraw/zinc/99/69/53/731996953.db2.gz ZGJDHRZHXONGFR-SNVBAGLBSA-N 1 1 330.417 0.999 20 30 ECEDMO CN1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1=O ZINC000969637576 732018444 /nfs/dbraw/zinc/01/84/44/732018444.db2.gz MZRVDICIOUKXRS-CVEARBPZSA-N 1 1 344.390 0.866 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)CCCn2cncn2)CC1 ZINC001098524646 732088380 /nfs/dbraw/zinc/08/83/80/732088380.db2.gz NXQUDYXQDGAHEC-UHFFFAOYSA-N 1 1 335.452 0.920 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046574 738578425 /nfs/dbraw/zinc/57/84/25/738578425.db2.gz DYIJQQDFEWDJSN-FZMZJTMJSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046574 738578428 /nfs/dbraw/zinc/57/84/28/738578428.db2.gz DYIJQQDFEWDJSN-FZMZJTMJSA-N 1 1 331.420 0.803 20 30 ECEDMO CC1(C)C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000973049162 738582376 /nfs/dbraw/zinc/58/23/76/738582376.db2.gz YMGGRRIMRRBYDX-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000969764961 732329783 /nfs/dbraw/zinc/32/97/83/732329783.db2.gz ABDDKLPZBITMEY-ZIAGYGMSSA-N 1 1 331.351 0.069 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 ZINC001041812360 782254211 /nfs/dbraw/zinc/25/42/11/782254211.db2.gz YSGYCLOLMJBDCD-KRWDZBQOSA-N 1 1 333.436 0.391 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC001098524902 732341278 /nfs/dbraw/zinc/34/12/78/732341278.db2.gz ZISKOPJLVLFKGA-AWEZNQCLSA-N 1 1 329.404 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC000969812314 732399372 /nfs/dbraw/zinc/39/93/72/732399372.db2.gz XVTWMGNSCZUGJH-JONQDZQNSA-N 1 1 328.416 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC000969812314 732399378 /nfs/dbraw/zinc/39/93/78/732399378.db2.gz XVTWMGNSCZUGJH-JONQDZQNSA-N 1 1 328.416 0.445 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H](C)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000969841852 732429062 /nfs/dbraw/zinc/42/90/62/732429062.db2.gz MAWITXOQGYYLJC-IUODEOHRSA-N 1 1 344.415 0.529 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cnnn2CC)C1 ZINC000969869011 732466763 /nfs/dbraw/zinc/46/67/63/732466763.db2.gz NSLOMMQHRAWDDI-YOEHRIQHSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cnnn2CC)C1 ZINC000969869011 732466767 /nfs/dbraw/zinc/46/67/67/732466767.db2.gz NSLOMMQHRAWDDI-YOEHRIQHSA-N 1 1 344.463 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnsn2)C1 ZINC000973067261 738617958 /nfs/dbraw/zinc/61/79/58/738617958.db2.gz AHHMAGKDSDGFKI-GVXVVHGQSA-N 1 1 333.417 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnsn2)C1 ZINC000973067261 738617959 /nfs/dbraw/zinc/61/79/59/738617959.db2.gz AHHMAGKDSDGFKI-GVXVVHGQSA-N 1 1 333.417 0.013 20 30 ECEDMO C#CCN1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193780 732624334 /nfs/dbraw/zinc/62/43/34/732624334.db2.gz IABKCDQQAVXPQA-DAYGRLMNSA-N 1 1 337.439 0.744 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)ncc4C3)[C@H]2C1 ZINC001083194096 732653903 /nfs/dbraw/zinc/65/39/03/732653903.db2.gz WAJIGGWVKREQJS-BPQIPLTHSA-N 1 1 342.443 0.689 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001078098760 782299421 /nfs/dbraw/zinc/29/94/21/782299421.db2.gz CNINLLIPRCSHPA-GHMZBOCLSA-N 1 1 332.326 0.790 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001078098760 782299429 /nfs/dbraw/zinc/29/94/29/782299429.db2.gz CNINLLIPRCSHPA-GHMZBOCLSA-N 1 1 332.326 0.790 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836150 782310938 /nfs/dbraw/zinc/31/09/38/782310938.db2.gz PSACPYGQHQIWIS-GXTWGEPZSA-N 1 1 347.868 0.355 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836150 782310946 /nfs/dbraw/zinc/31/09/46/782310946.db2.gz PSACPYGQHQIWIS-GXTWGEPZSA-N 1 1 347.868 0.355 20 30 ECEDMO CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)C[N@@H+](C)C1CCC1 ZINC001125322450 733007664 /nfs/dbraw/zinc/00/76/64/733007664.db2.gz ZGEWBFORPNWCLD-OAHLLOKOSA-N 1 1 346.435 0.088 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)CC1 ZINC001098530563 733021373 /nfs/dbraw/zinc/02/13/73/733021373.db2.gz CHRGZEDKJSQSMG-HNNXBMFYSA-N 1 1 338.452 0.391 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C[C@H](C)N2CCCC2=O)CC1 ZINC001098530640 733025214 /nfs/dbraw/zinc/02/52/14/733025214.db2.gz GKMIRGNZGBPJDO-INIZCTEOSA-N 1 1 349.475 0.696 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO1 ZINC000968437752 733080006 /nfs/dbraw/zinc/08/00/06/733080006.db2.gz OAXUKHUDBRDLEL-YVSFHVDLSA-N 1 1 345.443 0.465 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO1 ZINC000968437752 733080009 /nfs/dbraw/zinc/08/00/09/733080009.db2.gz OAXUKHUDBRDLEL-YVSFHVDLSA-N 1 1 345.443 0.465 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO1 ZINC000968437751 733080354 /nfs/dbraw/zinc/08/03/54/733080354.db2.gz OAXUKHUDBRDLEL-VVLHAWIVSA-N 1 1 345.443 0.465 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO1 ZINC000968437751 733080358 /nfs/dbraw/zinc/08/03/58/733080358.db2.gz OAXUKHUDBRDLEL-VVLHAWIVSA-N 1 1 345.443 0.465 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CNc2ccnc(C#N)n2)C(C)(C)C)C1 ZINC001125828479 738676033 /nfs/dbraw/zinc/67/60/33/738676033.db2.gz TUJYQNKYHRJHTH-QWHCGFSZSA-N 1 1 346.435 0.044 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CNc2ccnc(C#N)n2)C(C)(C)C)C1 ZINC001125828479 738676034 /nfs/dbraw/zinc/67/60/34/738676034.db2.gz TUJYQNKYHRJHTH-QWHCGFSZSA-N 1 1 346.435 0.044 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC000970196707 733175357 /nfs/dbraw/zinc/17/53/57/733175357.db2.gz YLJRQPNLEFYKAZ-CYBMUJFWSA-N 1 1 327.388 0.993 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3csnn3)C2)C1=O ZINC000970224918 733235760 /nfs/dbraw/zinc/23/57/60/733235760.db2.gz BGCISUQMXUVQBM-MFKMUULPSA-N 1 1 335.433 0.375 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNc2ccncc2C#N)CC1 ZINC001067471132 733438999 /nfs/dbraw/zinc/43/89/99/733438999.db2.gz UFNVVXBBAZXOAD-MRXNPFEDSA-N 1 1 343.431 0.235 20 30 ECEDMO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970430393 733520703 /nfs/dbraw/zinc/52/07/03/733520703.db2.gz BWRPXHOOAAOYMR-FZZIBODNSA-N 1 1 332.429 0.678 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1ccc(C#N)nn1 ZINC001104269768 733537453 /nfs/dbraw/zinc/53/74/53/733537453.db2.gz FPHPVHWKYBDTFC-OUCADQQQSA-N 1 1 332.408 0.232 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1ccc(C#N)nn1 ZINC001104269768 733537456 /nfs/dbraw/zinc/53/74/56/733537456.db2.gz FPHPVHWKYBDTFC-OUCADQQQSA-N 1 1 332.408 0.232 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)cn1 ZINC000970519143 733638674 /nfs/dbraw/zinc/63/86/74/733638674.db2.gz FUXUPFYVAICREU-OAHLLOKOSA-N 1 1 342.378 0.628 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H](C)C1C[NH+]([C@H](C)C(=O)NC)C1 ZINC000970759500 733919187 /nfs/dbraw/zinc/91/91/87/733919187.db2.gz GYAYWFRDDXNIIP-CHWSQXEVSA-N 1 1 344.415 0.278 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC000970765516 733922977 /nfs/dbraw/zinc/92/29/77/733922977.db2.gz DIVSBDKFMRXKGB-QWHCGFSZSA-N 1 1 340.427 0.780 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)CC1 ZINC000970792844 733943523 /nfs/dbraw/zinc/94/35/23/733943523.db2.gz ZLNJPISNLZUHRX-FUHWJXTLSA-N 1 1 333.476 0.949 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001098544192 734083948 /nfs/dbraw/zinc/08/39/48/734083948.db2.gz AWHZGGISTKWEFB-CQSZACIVSA-N 1 1 330.436 0.762 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(C)n3)C2)CC1 ZINC000970924441 734091262 /nfs/dbraw/zinc/09/12/62/734091262.db2.gz LDUXLMUFHMLZGK-CYBMUJFWSA-N 1 1 344.463 0.395 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)[C@H]2C1 ZINC001083209217 734119557 /nfs/dbraw/zinc/11/95/57/734119557.db2.gz VTOARXCITILVJX-OWCLPIDISA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC000971020921 734186971 /nfs/dbraw/zinc/18/69/71/734186971.db2.gz PBEMFEIREXWDPF-CVEARBPZSA-N 1 1 344.415 0.253 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CNc3cncc(C#N)n3)CC2)C1 ZINC001067476710 734193642 /nfs/dbraw/zinc/19/36/42/734193642.db2.gz BPQFVKRZXPOKPR-CYBMUJFWSA-N 1 1 344.419 0.065 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971045532 734206513 /nfs/dbraw/zinc/20/65/13/734206513.db2.gz NAGWKSOPRAAXRE-AWEZNQCLSA-N 1 1 343.366 0.417 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971045532 734206516 /nfs/dbraw/zinc/20/65/16/734206516.db2.gz NAGWKSOPRAAXRE-AWEZNQCLSA-N 1 1 343.366 0.417 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CN(c2cc(CC)[nH+]c(C)n2)CCO1 ZINC001104316928 734258704 /nfs/dbraw/zinc/25/87/04/734258704.db2.gz LYEWFMHKPRYIDW-YJBOKZPZSA-N 1 1 348.447 0.996 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2cc(C)ncc2C#N)CCO1 ZINC001104323389 734303939 /nfs/dbraw/zinc/30/39/39/734303939.db2.gz PLKGGILAERJUKT-MRXNPFEDSA-N 1 1 345.447 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ncoc3C)C2)C1=O ZINC000971174061 734337202 /nfs/dbraw/zinc/33/72/02/734337202.db2.gz QSPPYZNSKKEZQK-KBPBESRZSA-N 1 1 332.404 0.916 20 30 ECEDMO C=CCOCC[N@H+]1CCCO[C@@H](CNC(=O)c2snnc2C)C1 ZINC001149131664 734338150 /nfs/dbraw/zinc/33/81/50/734338150.db2.gz RKSGNZNKPKWEDU-ZDUSSCGKSA-N 1 1 340.449 0.870 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2cc(C)ncc2C#N)CCO1 ZINC001104327886 734343754 /nfs/dbraw/zinc/34/37/54/734343754.db2.gz BWKLXUULEWOIQS-MRXNPFEDSA-N 1 1 345.447 0.925 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cncc(OC)n3)[C@H]2C1 ZINC001083215306 734421894 /nfs/dbraw/zinc/42/18/94/734421894.db2.gz RHMWXRKXGMNKCA-LSDHHAIUSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2c(C)nn(C)c2F)CC1 ZINC001098550600 734455825 /nfs/dbraw/zinc/45/58/25/734455825.db2.gz WHYDOVOEGMVEIU-UHFFFAOYSA-N 1 1 336.411 0.790 20 30 ECEDMO CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000971377148 734488836 /nfs/dbraw/zinc/48/88/36/734488836.db2.gz UNOOSLDCDKGIIH-CABCVRRESA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3ncccc3O)C2)C1=O ZINC000971394186 734506763 /nfs/dbraw/zinc/50/67/63/734506763.db2.gz NKHDSMYTAFSPGF-ZIAGYGMSSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ncccc3O)C2)C1=O ZINC000971394186 734506765 /nfs/dbraw/zinc/50/67/65/734506765.db2.gz NKHDSMYTAFSPGF-ZIAGYGMSSA-N 1 1 344.415 0.720 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3cncc(C#N)n3)CCO2)C1 ZINC001104349025 734518852 /nfs/dbraw/zinc/51/88/52/734518852.db2.gz BPNRPTYUSUOJHI-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](C)OC)C[C@@H]32)nn1 ZINC001083217516 734558836 /nfs/dbraw/zinc/55/88/36/734558836.db2.gz CDKVDSLVMOPGBK-VHDGCEQUSA-N 1 1 335.408 0.024 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@H]2O)C1 ZINC001078175056 782431525 /nfs/dbraw/zinc/43/15/25/782431525.db2.gz VKTHOUJJVQEJCH-IAOVAPTHSA-N 1 1 346.406 0.310 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C2CC2)n1 ZINC001114939248 734726895 /nfs/dbraw/zinc/72/68/95/734726895.db2.gz FBYNJNDYEXNDIH-PBOSXPJTSA-N 1 1 344.415 0.903 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C2CC2)n1 ZINC001114939248 734726897 /nfs/dbraw/zinc/72/68/97/734726897.db2.gz FBYNJNDYEXNDIH-PBOSXPJTSA-N 1 1 344.415 0.903 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000973165900 738855964 /nfs/dbraw/zinc/85/59/64/738855964.db2.gz HOKRRQDWPVOYTQ-KKUMJFAQSA-N 1 1 342.399 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000973165900 738855967 /nfs/dbraw/zinc/85/59/67/738855967.db2.gz HOKRRQDWPVOYTQ-KKUMJFAQSA-N 1 1 342.399 0.262 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O ZINC001078183325 782446622 /nfs/dbraw/zinc/44/66/22/782446622.db2.gz LTJORXZUEHFRPS-QZTJIDSGSA-N 1 1 338.411 0.405 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CNC(=O)c2ccco2)CC1 ZINC001098555477 734904078 /nfs/dbraw/zinc/90/40/78/734904078.db2.gz KWGYWMSGCFXXGA-UHFFFAOYSA-N 1 1 335.404 0.481 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cccnc2)C1 ZINC000973168792 738860211 /nfs/dbraw/zinc/86/02/11/738860211.db2.gz IAFSAHUVOJFKDJ-ULQDDVLXSA-N 1 1 340.427 0.485 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cccnc2)C1 ZINC000973168792 738860214 /nfs/dbraw/zinc/86/02/14/738860214.db2.gz IAFSAHUVOJFKDJ-ULQDDVLXSA-N 1 1 340.427 0.485 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC000971686661 734951613 /nfs/dbraw/zinc/95/16/13/734951613.db2.gz DGWVXTNXSAMGHO-KBPBESRZSA-N 1 1 344.415 0.626 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001078199436 782479411 /nfs/dbraw/zinc/47/94/11/782479411.db2.gz HPKLUNDARIJHKK-IAGOWNOFSA-N 1 1 331.416 0.674 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC001098558453 735257357 /nfs/dbraw/zinc/25/73/57/735257357.db2.gz DERDXZDMYOCGAD-UHFFFAOYSA-N 1 1 341.415 0.880 20 30 ECEDMO C#CCC[N@@H+](CCO)C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001098558453 735257361 /nfs/dbraw/zinc/25/73/61/735257361.db2.gz DERDXZDMYOCGAD-UHFFFAOYSA-N 1 1 341.415 0.880 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001098558453 735257366 /nfs/dbraw/zinc/25/73/66/735257366.db2.gz DERDXZDMYOCGAD-UHFFFAOYSA-N 1 1 341.415 0.880 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972197518 735775656 /nfs/dbraw/zinc/77/56/56/735775656.db2.gz CWSJCYZSBGPLPJ-UKRRQHHQSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972197518 735775657 /nfs/dbraw/zinc/77/56/57/735775657.db2.gz CWSJCYZSBGPLPJ-UKRRQHHQSA-N 1 1 345.378 0.411 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001058909049 751364850 /nfs/dbraw/zinc/36/48/50/751364850.db2.gz SDGCMXPGPZXYSO-LSDHHAIUSA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001058909049 751364858 /nfs/dbraw/zinc/36/48/58/751364858.db2.gz SDGCMXPGPZXYSO-LSDHHAIUSA-N 1 1 329.404 0.687 20 30 ECEDMO CO[C@@H](C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972348021 735982627 /nfs/dbraw/zinc/98/26/27/735982627.db2.gz FRNCOHYJJJQBQQ-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972348021 735982629 /nfs/dbraw/zinc/98/26/29/735982629.db2.gz FRNCOHYJJJQBQQ-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001041963158 782502161 /nfs/dbraw/zinc/50/21/61/782502161.db2.gz IORAUDUXDREAGG-UHFFFAOYSA-N 1 1 336.392 0.006 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000972387773 736059346 /nfs/dbraw/zinc/05/93/46/736059346.db2.gz XOZAFCYFAYOKHY-KRWDZBQOSA-N 1 1 346.435 0.368 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000972387773 736059351 /nfs/dbraw/zinc/05/93/51/736059351.db2.gz XOZAFCYFAYOKHY-KRWDZBQOSA-N 1 1 346.435 0.368 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC001098569247 736061967 /nfs/dbraw/zinc/06/19/67/736061967.db2.gz CSEVVCMACOSESN-UHFFFAOYSA-N 1 1 344.415 0.103 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972393066 736110366 /nfs/dbraw/zinc/11/03/66/736110366.db2.gz PHAQVOTVGLXTOZ-RYRKJORJSA-N 1 1 338.448 0.653 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972393066 736110367 /nfs/dbraw/zinc/11/03/67/736110367.db2.gz PHAQVOTVGLXTOZ-RYRKJORJSA-N 1 1 338.448 0.653 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428532 736176861 /nfs/dbraw/zinc/17/68/61/736176861.db2.gz LXWFYJVEZGSDIS-GOSISDBHSA-N 1 1 346.431 0.880 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428883 736177797 /nfs/dbraw/zinc/17/77/97/736177797.db2.gz QGZHEALTPXYRBB-SFHVURJKSA-N 1 1 344.415 0.327 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428883 736177801 /nfs/dbraw/zinc/17/78/01/736177801.db2.gz QGZHEALTPXYRBB-SFHVURJKSA-N 1 1 344.415 0.327 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972440882 736200121 /nfs/dbraw/zinc/20/01/21/736200121.db2.gz LTJIQHOWGBUTJC-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972440882 736200124 /nfs/dbraw/zinc/20/01/24/736200124.db2.gz LTJIQHOWGBUTJC-WMZOPIPTSA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3nccc3C)C2)C1=O ZINC000972444969 736214770 /nfs/dbraw/zinc/21/47/70/736214770.db2.gz HSEOIAIEBQEKIH-JKSUJKDBSA-N 1 1 345.447 0.511 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3nc(C)no3)C2)C1 ZINC000972482961 736314619 /nfs/dbraw/zinc/31/46/19/736314619.db2.gz DYBSMMVWEUKZLU-QGZVFWFLSA-N 1 1 332.404 0.637 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3nc(C)no3)C2)C1 ZINC000972482961 736314624 /nfs/dbraw/zinc/31/46/24/736314624.db2.gz DYBSMMVWEUKZLU-QGZVFWFLSA-N 1 1 332.404 0.637 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)C3=COCCO3)C2)C1=O ZINC001023210074 736588204 /nfs/dbraw/zinc/58/82/04/736588204.db2.gz ACEMEYKANTZSHF-GJZGRUSLSA-N 1 1 349.431 0.490 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3ccon3)C2)C1=O ZINC001023248515 736615804 /nfs/dbraw/zinc/61/58/04/736615804.db2.gz KODYQWDIWKPPQR-UKRRQHHQSA-N 1 1 332.404 0.903 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cnsn3)C2)C1=O ZINC001023250384 736617039 /nfs/dbraw/zinc/61/70/39/736617039.db2.gz GKCUOSNXSQJPMQ-TZMCWYRMSA-N 1 1 349.460 0.767 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3ccnn3C)C2)C1=O ZINC001023267466 736632212 /nfs/dbraw/zinc/63/22/12/736632212.db2.gz UICJOBSPZRTAPD-ZBFHGGJFSA-N 1 1 345.447 0.649 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCC(=O)N3)[C@H]2C1 ZINC001083259685 736649196 /nfs/dbraw/zinc/64/91/96/736649196.db2.gz NQEYBEOBZSYHNJ-HRCADAONSA-N 1 1 335.448 0.923 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(C2)C[N@H+](CCOC)CCO3)c1 ZINC000972542892 736653135 /nfs/dbraw/zinc/65/31/35/736653135.db2.gz FONIHFJMBVHSJZ-GOSISDBHSA-N 1 1 329.400 0.626 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCOC)CCO3)c1 ZINC000972542892 736653138 /nfs/dbraw/zinc/65/31/38/736653138.db2.gz FONIHFJMBVHSJZ-GOSISDBHSA-N 1 1 329.400 0.626 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@@H+](CCn3cncn3)C2)c1 ZINC001023297510 736659970 /nfs/dbraw/zinc/65/99/70/736659970.db2.gz LEKSZDXFBCXLSZ-CYBMUJFWSA-N 1 1 327.392 0.620 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)c[nH]1 ZINC001023314416 736674840 /nfs/dbraw/zinc/67/48/40/736674840.db2.gz LPHJLXPUDOMCQK-GFCCVEGCSA-N 1 1 329.404 0.607 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](CCn3cncn3)C2)c[nH]1 ZINC001023319994 736680456 /nfs/dbraw/zinc/68/04/56/736680456.db2.gz MTMOZIYYZMUREW-CYBMUJFWSA-N 1 1 327.392 0.620 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cncnc3)C2)C1=O ZINC001023325549 736686351 /nfs/dbraw/zinc/68/63/51/736686351.db2.gz JFNUZHNXVSBULY-GOEBONIOSA-N 1 1 343.431 0.705 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@]3(C1)CN(CC#N)CCO3)C2 ZINC000972552281 736698977 /nfs/dbraw/zinc/69/89/77/736698977.db2.gz MRFXTTCUHMZXAT-YJBOKZPZSA-N 1 1 343.431 0.581 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)[C@H]2C1 ZINC001083260890 736811769 /nfs/dbraw/zinc/81/17/69/736811769.db2.gz UZARYWUKMJOZKO-LSDHHAIUSA-N 1 1 341.371 0.442 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)[C@H]2C1 ZINC001083260890 736811772 /nfs/dbraw/zinc/81/17/72/736811772.db2.gz UZARYWUKMJOZKO-LSDHHAIUSA-N 1 1 341.371 0.442 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001023447173 736845638 /nfs/dbraw/zinc/84/56/38/736845638.db2.gz HZTFJIXENWYLIQ-GFCCVEGCSA-N 1 1 341.433 0.945 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001023447461 736845696 /nfs/dbraw/zinc/84/56/96/736845696.db2.gz NZTZRLPLYLGNMJ-GFCCVEGCSA-N 1 1 339.417 0.392 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccncn3)C2)C1=O ZINC000972577012 736909727 /nfs/dbraw/zinc/90/97/27/736909727.db2.gz YPVGGVKMEIOQBK-HIFRSBDPSA-N 1 1 329.404 0.410 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3csnn3)C2)C1=O ZINC001023512140 736939191 /nfs/dbraw/zinc/93/91/91/736939191.db2.gz GZELUSWKWOYJMZ-TZMCWYRMSA-N 1 1 349.460 0.767 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001023510305 736941063 /nfs/dbraw/zinc/94/10/63/736941063.db2.gz HOPMICBYFCRPFC-MSOLQXFVSA-N 1 1 333.476 0.949 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001023557538 737002657 /nfs/dbraw/zinc/00/26/57/737002657.db2.gz ZEZWLOOXXFFGNZ-CYBMUJFWSA-N 1 1 326.404 0.828 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972595439 737025518 /nfs/dbraw/zinc/02/55/18/737025518.db2.gz XUVSFLDRVXEZIT-XYJFISCASA-N 1 1 338.448 0.653 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972595439 737025519 /nfs/dbraw/zinc/02/55/19/737025519.db2.gz XUVSFLDRVXEZIT-XYJFISCASA-N 1 1 338.448 0.653 20 30 ECEDMO C=C(C)CN1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972598642 737049030 /nfs/dbraw/zinc/04/90/30/737049030.db2.gz HKFKYYHAPRGOFS-SFHVURJKSA-N 1 1 337.464 0.588 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972600401 737059481 /nfs/dbraw/zinc/05/94/81/737059481.db2.gz ADDMZYDYWHRJKJ-QGZVFWFLSA-N 1 1 332.404 0.366 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972600401 737059483 /nfs/dbraw/zinc/05/94/83/737059483.db2.gz ADDMZYDYWHRJKJ-QGZVFWFLSA-N 1 1 332.404 0.366 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2ncc[nH]2)C1 ZINC001059847351 751382293 /nfs/dbraw/zinc/38/22/93/751382293.db2.gz PTWLQJNWSFCPJT-CABCVRRESA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2ncc[nH]2)C1 ZINC001059847351 751382301 /nfs/dbraw/zinc/38/23/01/751382301.db2.gz PTWLQJNWSFCPJT-CABCVRRESA-N 1 1 343.431 0.476 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001023603718 737064988 /nfs/dbraw/zinc/06/49/88/737064988.db2.gz YUVPDHURWIHUFI-AWEZNQCLSA-N 1 1 328.416 0.954 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC000972615857 737100195 /nfs/dbraw/zinc/10/01/95/737100195.db2.gz TYTLBVYQAXAJNI-KRWDZBQOSA-N 1 1 332.404 0.607 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC000972615857 737100200 /nfs/dbraw/zinc/10/02/00/737100200.db2.gz TYTLBVYQAXAJNI-KRWDZBQOSA-N 1 1 332.404 0.607 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001023622687 737100305 /nfs/dbraw/zinc/10/03/05/737100305.db2.gz DIEYBJLLPLDYNX-QWRGUYRKSA-N 1 1 328.800 0.165 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001023622687 737100309 /nfs/dbraw/zinc/10/03/09/737100309.db2.gz DIEYBJLLPLDYNX-QWRGUYRKSA-N 1 1 328.800 0.165 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001023638157 737125166 /nfs/dbraw/zinc/12/51/66/737125166.db2.gz YOFAYPWJUADMIG-JSGCOSHPSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001023639398 737127081 /nfs/dbraw/zinc/12/70/81/737127081.db2.gz HQUHGXBSKHIJDK-CHWSQXEVSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001023649789 737145435 /nfs/dbraw/zinc/14/54/35/737145435.db2.gz ONGGIFKDDIWYDB-CQSZACIVSA-N 1 1 341.415 0.796 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972627893 737148218 /nfs/dbraw/zinc/14/82/18/737148218.db2.gz LJHSOSOPLCWZKG-APWZRJJASA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972627893 737148220 /nfs/dbraw/zinc/14/82/20/737148220.db2.gz LJHSOSOPLCWZKG-APWZRJJASA-N 1 1 347.459 0.714 20 30 ECEDMO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC2(CC[NH+](CC(N)=O)CC2)O1 ZINC001098579979 737156157 /nfs/dbraw/zinc/15/61/57/737156157.db2.gz AHKMHAZXLCDBKT-LBPRGKRZSA-N 1 1 345.403 0.067 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001023674097 737178040 /nfs/dbraw/zinc/17/80/40/737178040.db2.gz KQKORSVIKOZXQA-JKSUJKDBSA-N 1 1 345.447 0.780 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023704328 737220236 /nfs/dbraw/zinc/22/02/36/737220236.db2.gz JYFQUSFLZWSWRM-QLFBSQMISA-N 1 1 337.464 0.759 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC001023708319 737226755 /nfs/dbraw/zinc/22/67/55/737226755.db2.gz AQYVPHIDMBDPQN-GDBMZVCRSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972652743 737259033 /nfs/dbraw/zinc/25/90/33/737259033.db2.gz BCKQNOBPZHDOQN-LJQANCHMSA-N 1 1 328.412 0.506 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972652743 737259036 /nfs/dbraw/zinc/25/90/36/737259036.db2.gz BCKQNOBPZHDOQN-LJQANCHMSA-N 1 1 328.412 0.506 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@]2(C1)C[N@H+](C[C@@H](C)O)CCO2 ZINC000972653711 737260703 /nfs/dbraw/zinc/26/07/03/737260703.db2.gz KISLJVSVHNFTPD-OXQOHEQNSA-N 1 1 342.439 0.895 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@]2(C1)C[N@@H+](C[C@@H](C)O)CCO2 ZINC000972653711 737260705 /nfs/dbraw/zinc/26/07/05/737260705.db2.gz KISLJVSVHNFTPD-OXQOHEQNSA-N 1 1 342.439 0.895 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001023742546 737283029 /nfs/dbraw/zinc/28/30/29/737283029.db2.gz VPTDXJYFVCCBLM-ZIAGYGMSSA-N 1 1 348.447 0.907 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC000972664628 737287070 /nfs/dbraw/zinc/28/70/70/737287070.db2.gz QDHVIDJCBJNRLQ-SFHVURJKSA-N 1 1 346.431 0.663 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3ccn(C)n3)C2)C1=O ZINC001023748064 737293960 /nfs/dbraw/zinc/29/39/60/737293960.db2.gz OADXJDRGTIKTSZ-ZBFHGGJFSA-N 1 1 345.447 0.649 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN([C@@H](C)C(=O)NC)C2)CC1 ZINC001023759294 737319800 /nfs/dbraw/zinc/31/98/00/737319800.db2.gz FCNVHDLJCFPDGY-JKSUJKDBSA-N 1 1 348.491 0.294 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](CCCC)NC(N)=O)CC1 ZINC001098581914 737326736 /nfs/dbraw/zinc/32/67/36/737326736.db2.gz GAXJGWYGDZEFJJ-OAHLLOKOSA-N 1 1 338.452 0.132 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3nonc3C)C2)C1=O ZINC001023776097 737356370 /nfs/dbraw/zinc/35/63/70/737356370.db2.gz QGOXPTYXLLARJG-UONOGXRCSA-N 1 1 347.419 0.607 20 30 ECEDMO CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972683730 737373312 /nfs/dbraw/zinc/37/33/12/737373312.db2.gz OVYPBTUMLUROPT-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972683730 737373315 /nfs/dbraw/zinc/37/33/15/737373315.db2.gz OVYPBTUMLUROPT-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ccn(C)n1 ZINC001067464912 737390087 /nfs/dbraw/zinc/39/00/87/737390087.db2.gz HPSIGFKWEYMHSL-INIZCTEOSA-N 1 1 345.447 0.438 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ccn(C)n1 ZINC001067464912 737390092 /nfs/dbraw/zinc/39/00/92/737390092.db2.gz HPSIGFKWEYMHSL-INIZCTEOSA-N 1 1 345.447 0.438 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC001023895815 737466211 /nfs/dbraw/zinc/46/62/11/737466211.db2.gz UHBBTHKTNICXKP-QWHCGFSZSA-N 1 1 335.408 0.746 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001023990857 737586574 /nfs/dbraw/zinc/58/65/74/737586574.db2.gz IAKKOVFXZWQMEW-ZNMIVQPWSA-N 1 1 348.451 0.520 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCCN(C)C3=O)C2)cn1 ZINC000972756478 737597676 /nfs/dbraw/zinc/59/76/76/737597676.db2.gz MPXSCYOFSOFVMW-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972792614 737683126 /nfs/dbraw/zinc/68/31/26/737683126.db2.gz BWOWTYIDQGLVIS-HNNXBMFYSA-N 1 1 339.403 0.572 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3ccn[nH]3)C(C)(C)C2)C1=O ZINC000972825436 737752545 /nfs/dbraw/zinc/75/25/45/737752545.db2.gz OPFCTVMOJCCLBX-KBPBESRZSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3ccn[nH]3)C(C)(C)C2)C1=O ZINC000972825436 737752547 /nfs/dbraw/zinc/75/25/47/737752547.db2.gz OPFCTVMOJCCLBX-KBPBESRZSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cnsn3)C(C)(C)C2)C1=O ZINC000972832353 737763258 /nfs/dbraw/zinc/76/32/58/737763258.db2.gz HOLPSJAHRILISJ-OLZOCXBDSA-N 1 1 349.460 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cnsn3)C(C)(C)C2)C1=O ZINC000972832353 737763260 /nfs/dbraw/zinc/76/32/60/737763260.db2.gz HOLPSJAHRILISJ-OLZOCXBDSA-N 1 1 349.460 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnnn2C)C1=O ZINC001024419511 737953079 /nfs/dbraw/zinc/95/30/79/737953079.db2.gz ZOFBQGMGFXJQSC-KBPBESRZSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnnn2C)C1=O ZINC001024419511 737953083 /nfs/dbraw/zinc/95/30/83/737953083.db2.gz ZOFBQGMGFXJQSC-KBPBESRZSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069995605 790291360 /nfs/dbraw/zinc/29/13/60/790291360.db2.gz OXEWVEXONHSHEI-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cccc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069995605 790291367 /nfs/dbraw/zinc/29/13/67/790291367.db2.gz OXEWVEXONHSHEI-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC001087279043 738076134 /nfs/dbraw/zinc/07/61/34/738076134.db2.gz QKJPTJHDFVKELW-VNQPRFMTSA-N 1 1 343.431 0.851 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001024541552 738081811 /nfs/dbraw/zinc/08/18/11/738081811.db2.gz NGFPLYGZWJWKFI-CQSZACIVSA-N 1 1 332.404 0.107 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087288051 738119654 /nfs/dbraw/zinc/11/96/54/738119654.db2.gz QRRIXLKLQSBPOU-ILXRZTDVSA-N 1 1 338.473 0.660 20 30 ECEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001024580892 738127675 /nfs/dbraw/zinc/12/76/75/738127675.db2.gz AAWQNPMDKCUPFN-CYBMUJFWSA-N 1 1 344.423 0.854 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1ncn(C)c1=O ZINC001087292114 738133432 /nfs/dbraw/zinc/13/34/32/738133432.db2.gz GTKQTSJBTUTYOV-VHDGCEQUSA-N 1 1 333.436 0.373 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001024588721 738139307 /nfs/dbraw/zinc/13/93/07/738139307.db2.gz DLBAJOPPGIEZHI-ZIAGYGMSSA-N 1 1 346.435 0.484 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001024588721 738139308 /nfs/dbraw/zinc/13/93/08/738139308.db2.gz DLBAJOPPGIEZHI-ZIAGYGMSSA-N 1 1 346.435 0.484 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cn(C)c(=O)cn3)C(C)(C)[C@H]21 ZINC001087297413 738153391 /nfs/dbraw/zinc/15/33/91/738153391.db2.gz OIEOTFZWBPWHKD-KCXAZCMYSA-N 1 1 328.416 0.632 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001024644562 738197257 /nfs/dbraw/zinc/19/72/57/738197257.db2.gz SFPBJHMNQVRYKK-LLVKDONJSA-N 1 1 341.437 0.218 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CCO)[C@@H]3C2(C)C)nn1 ZINC001087305993 738203807 /nfs/dbraw/zinc/20/38/07/738203807.db2.gz BQKGAVKXXTYTNL-CFVMTHIKSA-N 1 1 333.436 0.675 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001098515317 751393991 /nfs/dbraw/zinc/39/39/91/751393991.db2.gz AKYNFNVLALBKDQ-UHFFFAOYSA-N 1 1 348.447 0.495 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CCC)n3)[C@H]2C1 ZINC001083271670 738244526 /nfs/dbraw/zinc/24/45/26/738244526.db2.gz WJWQSXBRLOUBNE-JKSUJKDBSA-N 1 1 344.415 0.202 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN3C(=O)CCC3=O)C(C)(C)[C@H]21 ZINC001087317878 738282010 /nfs/dbraw/zinc/28/20/10/738282010.db2.gz OFAHCJUETZGULK-BVGQSLNGSA-N 1 1 345.443 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 ZINC001025246329 738920525 /nfs/dbraw/zinc/92/05/25/738920525.db2.gz VSLWBZABGPJKEC-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025257212 738943498 /nfs/dbraw/zinc/94/34/98/738943498.db2.gz BQMIXFVDNYIUGR-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001025298089 739018958 /nfs/dbraw/zinc/01/89/58/739018958.db2.gz UCKBXTAINMFAER-GJZGRUSLSA-N 1 1 346.431 0.359 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cn(C)c(=O)n1C ZINC001025300628 739021755 /nfs/dbraw/zinc/02/17/55/739021755.db2.gz DPPVUOARRXTENF-CABCVRRESA-N 1 1 330.432 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cn(CC)cn2)C1 ZINC000973410798 739224050 /nfs/dbraw/zinc/22/40/50/739224050.db2.gz PYLCRDDIKDYABE-DZKIICNBSA-N 1 1 343.431 0.378 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cn(CC)cn2)C1 ZINC000973410798 739224053 /nfs/dbraw/zinc/22/40/53/739224053.db2.gz PYLCRDDIKDYABE-DZKIICNBSA-N 1 1 343.431 0.378 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3c[nH+]cc3C)C2)c1 ZINC000973456861 739315692 /nfs/dbraw/zinc/31/56/92/739315692.db2.gz AKMLYNIESDLTGQ-WKILWMFISA-N 1 1 337.383 0.645 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001028194588 751437618 /nfs/dbraw/zinc/43/76/18/751437618.db2.gz BLZHABZHCGGZTD-VYDXJSESSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001028194588 751437620 /nfs/dbraw/zinc/43/76/20/751437620.db2.gz BLZHABZHCGGZTD-VYDXJSESSA-N 1 1 335.448 0.827 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104685237 739475138 /nfs/dbraw/zinc/47/51/38/739475138.db2.gz MUJWUVLMADZHOB-KBPBESRZSA-N 1 1 330.436 0.902 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001025469148 739620120 /nfs/dbraw/zinc/62/01/20/739620120.db2.gz NODPXJAZQNIWEN-VXGBXAGGSA-N 1 1 341.433 0.943 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001025545960 739707068 /nfs/dbraw/zinc/70/70/68/739707068.db2.gz NIZFLUALPKTKBM-CHWSQXEVSA-N 1 1 334.420 0.100 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC(N)=O)C2)nn1 ZINC001025559795 739720761 /nfs/dbraw/zinc/72/07/61/739720761.db2.gz XAMVWEHIVVZGHI-CHWSQXEVSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001025592462 739753291 /nfs/dbraw/zinc/75/32/91/739753291.db2.gz ORYDRYPFYKXEBL-WDEREUQCSA-N 1 1 334.376 0.360 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001025594909 739759725 /nfs/dbraw/zinc/75/97/25/739759725.db2.gz JHTLZKYDOFDAIY-STQMWFEESA-N 1 1 344.419 0.824 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H](CC)C(N)=O)C2 ZINC000982023637 751487325 /nfs/dbraw/zinc/48/73/25/751487325.db2.gz PBBGNEJSCHOAPY-KFWWJZLASA-N 1 1 335.448 0.766 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001025704722 739881680 /nfs/dbraw/zinc/88/16/80/739881680.db2.gz BCCYOBAREHGLAF-IGKNDFSCSA-N 1 1 338.407 0.894 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4C[C@@]45CCOC5)C[C@H]32)[nH]1 ZINC001025741741 739910640 /nfs/dbraw/zinc/91/06/40/739910640.db2.gz WHQPTTFKUOJWFZ-VTGNEUPOSA-N 1 1 326.400 0.973 20 30 ECEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058660615 739955121 /nfs/dbraw/zinc/95/51/21/739955121.db2.gz DTPQZJZKWDPGLC-KGLIPLIRSA-N 1 1 349.435 0.493 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@H]1C(F)(F)F ZINC001112035907 740057799 /nfs/dbraw/zinc/05/77/99/740057799.db2.gz XRNSCSUCEZJUTH-NXEZZACHSA-N 1 1 344.293 0.512 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001068463969 790319587 /nfs/dbraw/zinc/31/95/87/790319587.db2.gz SEYPQYZPTIMAPY-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nn1 ZINC001098604637 740149462 /nfs/dbraw/zinc/14/94/62/740149462.db2.gz VBJZMYFHOLCGCL-HOTGVXAUSA-N 1 1 349.435 0.523 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)[C@H]2CCOC2)C1 ZINC000988089537 751518679 /nfs/dbraw/zinc/51/86/79/751518679.db2.gz WNABOTWZRQMBNO-IKGGRYGDSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)[C@H]2CCOC2)C1 ZINC000988089537 751518682 /nfs/dbraw/zinc/51/86/82/751518682.db2.gz WNABOTWZRQMBNO-IKGGRYGDSA-N 1 1 347.459 0.427 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001026056779 740344083 /nfs/dbraw/zinc/34/40/83/740344083.db2.gz BYDBQJGFJKCZHJ-HRSONHQUSA-N 1 1 343.431 0.403 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccccn2)C1 ZINC000973806716 740350014 /nfs/dbraw/zinc/35/00/14/740350014.db2.gz YRSNTUMBBQAVCX-LZWOXQAQSA-N 1 1 326.400 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccccn2)C1 ZINC000973806716 740350017 /nfs/dbraw/zinc/35/00/17/740350017.db2.gz YRSNTUMBBQAVCX-LZWOXQAQSA-N 1 1 326.400 0.556 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000982058808 751538339 /nfs/dbraw/zinc/53/83/39/751538339.db2.gz ZDPQKIYVYNLXFT-UHFFFAOYSA-N 1 1 330.436 0.744 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CCC[N@H+](C[C@@H](C)O)C3)nn1 ZINC000982060872 751542321 /nfs/dbraw/zinc/54/23/21/751542321.db2.gz GSNFNEJFRXHIBN-CQSZACIVSA-N 1 1 333.436 0.773 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4cncn4)c3)[C@H]2C1 ZINC001083291167 740437895 /nfs/dbraw/zinc/43/78/95/740437895.db2.gz SNEXAMVILQFXNA-LSDHHAIUSA-N 1 1 340.387 0.374 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4cncn4)c3)[C@H]2C1 ZINC001083291167 740437900 /nfs/dbraw/zinc/43/79/00/740437900.db2.gz SNEXAMVILQFXNA-LSDHHAIUSA-N 1 1 340.387 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC000973900986 740564133 /nfs/dbraw/zinc/56/41/33/740564133.db2.gz UHSZEDKYIMQXTO-JONQDZQNSA-N 1 1 343.431 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC000973900986 740564135 /nfs/dbraw/zinc/56/41/35/740564135.db2.gz UHSZEDKYIMQXTO-JONQDZQNSA-N 1 1 343.431 0.305 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]23)n1 ZINC001026245322 740582676 /nfs/dbraw/zinc/58/26/76/740582676.db2.gz ZYXPTWYVRLCSOC-LERXQTSPSA-N 1 1 340.391 0.050 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001020412457 751559619 /nfs/dbraw/zinc/55/96/19/751559619.db2.gz GYJBANQTAJOWLD-XEZPLFJOSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000974110152 740944542 /nfs/dbraw/zinc/94/45/42/740944542.db2.gz SALHJUCDZXMVCU-MJBXVCDLSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000974110152 740944545 /nfs/dbraw/zinc/94/45/45/740944545.db2.gz SALHJUCDZXMVCU-MJBXVCDLSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC000974148222 741007534 /nfs/dbraw/zinc/00/75/34/741007534.db2.gz FJBSFGSXZLZDPI-LZWOXQAQSA-N 1 1 328.416 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC000974148222 741007539 /nfs/dbraw/zinc/00/75/39/741007539.db2.gz FJBSFGSXZLZDPI-LZWOXQAQSA-N 1 1 328.416 0.798 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000982116591 751610375 /nfs/dbraw/zinc/61/03/75/751610375.db2.gz NHRWAAQKCXVPGU-CQSZACIVSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000974265550 741197626 /nfs/dbraw/zinc/19/76/26/741197626.db2.gz OHHQYCGTJUIJDT-ALYAQQCSSA-N 1 1 345.443 0.439 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000974265550 741197629 /nfs/dbraw/zinc/19/76/29/741197629.db2.gz OHHQYCGTJUIJDT-ALYAQQCSSA-N 1 1 345.443 0.439 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H](C)C(=O)NC)C3)cn1 ZINC000982122292 751615775 /nfs/dbraw/zinc/61/57/75/751615775.db2.gz BVYFYYHZMJLMDE-AWEZNQCLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001167742245 741233884 /nfs/dbraw/zinc/23/38/84/741233884.db2.gz IPZUUUCACAIRCW-UHFFFAOYSA-N 1 1 345.447 0.313 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1noc(CCC)n1 ZINC001038368942 741246770 /nfs/dbraw/zinc/24/67/70/741246770.db2.gz SGOSSSXNWCHLJU-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1noc(CCC)n1 ZINC001038368942 741246775 /nfs/dbraw/zinc/24/67/75/741246775.db2.gz SGOSSSXNWCHLJU-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ncccn2)C1=O ZINC001028219206 751624006 /nfs/dbraw/zinc/62/40/06/751624006.db2.gz YGULLANQXAWKOJ-ZIAGYGMSSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ncccn2)C1=O ZINC001028219206 751624012 /nfs/dbraw/zinc/62/40/12/751624012.db2.gz YGULLANQXAWKOJ-ZIAGYGMSSA-N 1 1 329.404 0.458 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000974327199 741327121 /nfs/dbraw/zinc/32/71/21/741327121.db2.gz OYIFLAPIYSISKB-OAGGEKHMSA-N 1 1 340.427 0.782 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(OC)ncn3)C2)nn1 ZINC001105240620 741533903 /nfs/dbraw/zinc/53/39/03/741533903.db2.gz UXHJBFQSTURRQO-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)nn1 ZINC001105243116 741544054 /nfs/dbraw/zinc/54/40/54/741544054.db2.gz WHMOUWNTBZQYHP-IUODEOHRSA-N 1 1 346.435 0.242 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCOC[C@H]3OC)C2)nn1 ZINC001105259914 741583067 /nfs/dbraw/zinc/58/30/67/741583067.db2.gz RMILAYANJKMGOK-XJKSGUPXSA-N 1 1 349.435 0.379 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC000974405871 741585338 /nfs/dbraw/zinc/58/53/38/741585338.db2.gz QBUPVGHBDCORPB-XYPHTWIQSA-N 1 1 340.427 0.782 20 30 ECEDMO C=C1CCC(C(=O)N(CCO)CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001058726810 741660523 /nfs/dbraw/zinc/66/05/23/741660523.db2.gz MUKQLLVAYBAROH-UHFFFAOYSA-N 1 1 348.447 0.875 20 30 ECEDMO C=CCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)c3[nH]nnc3C)C2)nn1 ZINC001105295076 741667018 /nfs/dbraw/zinc/66/70/18/741667018.db2.gz XQJOJYJWVBCQRS-NSHDSACASA-N 1 1 344.423 0.846 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1cncc(C#N)n1 ZINC001105302667 741696352 /nfs/dbraw/zinc/69/63/52/741696352.db2.gz QXBAIRKKWNQREQ-VHDGCEQUSA-N 1 1 346.435 0.620 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1cncc(C#N)n1 ZINC001105302667 741696354 /nfs/dbraw/zinc/69/63/54/741696354.db2.gz QXBAIRKKWNQREQ-VHDGCEQUSA-N 1 1 346.435 0.620 20 30 ECEDMO CC#CCCCC(=O)N1CC(n2cc(C[NH2+][C@H](C)COC)nn2)C1 ZINC001105308342 741709673 /nfs/dbraw/zinc/70/96/73/741709673.db2.gz MGMCHLFMTHYKAU-CQSZACIVSA-N 1 1 333.436 0.980 20 30 ECEDMO CC#CCCCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)COC)nn2)C1 ZINC001105308340 741709983 /nfs/dbraw/zinc/70/99/83/741709983.db2.gz MGMCHLFMTHYKAU-AWEZNQCLSA-N 1 1 333.436 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccncn2)C1 ZINC001006681260 751663748 /nfs/dbraw/zinc/66/37/48/751663748.db2.gz ZHOFKJJNHNIVMU-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccncn2)C1 ZINC001006681260 751663752 /nfs/dbraw/zinc/66/37/52/751663752.db2.gz ZHOFKJJNHNIVMU-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)C3=NC(=O)N(C)C3)C2)nn1 ZINC001105316982 741750827 /nfs/dbraw/zinc/75/08/27/741750827.db2.gz CAUMAPNDNWBOIB-UHFFFAOYSA-N 1 1 345.407 0.470 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470930 741776076 /nfs/dbraw/zinc/77/60/76/741776076.db2.gz DTAJCLBGEIUHKY-AWEZNQCLSA-N 1 1 329.404 0.559 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470930 741776080 /nfs/dbraw/zinc/77/60/80/741776080.db2.gz DTAJCLBGEIUHKY-AWEZNQCLSA-N 1 1 329.404 0.559 20 30 ECEDMO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974473657 741780631 /nfs/dbraw/zinc/78/06/31/741780631.db2.gz VCWMLIJFWPZDTI-KBPBESRZSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974473657 741780633 /nfs/dbraw/zinc/78/06/33/741780633.db2.gz VCWMLIJFWPZDTI-KBPBESRZSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCC1(C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001058732562 741820667 /nfs/dbraw/zinc/82/06/67/741820667.db2.gz AXIRVOJJHWOIEH-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000982178570 751677577 /nfs/dbraw/zinc/67/75/77/751677577.db2.gz DKAGGIVGINQMET-JYJNAYRXSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000982178570 751677580 /nfs/dbraw/zinc/67/75/80/751677580.db2.gz DKAGGIVGINQMET-JYJNAYRXSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnn(C)c3)C2)C1=O ZINC001006697491 751692483 /nfs/dbraw/zinc/69/24/83/751692483.db2.gz INQAHQSBAVYLGM-CABCVRRESA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn(C)c3)C2)C1=O ZINC001006697491 751692487 /nfs/dbraw/zinc/69/24/87/751692487.db2.gz INQAHQSBAVYLGM-CABCVRRESA-N 1 1 331.420 0.401 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2nc(OC)cc(OC)n2)C(C)(C)C1 ZINC000974730011 742125979 /nfs/dbraw/zinc/12/59/79/742125979.db2.gz JXFTUSULIRNMBB-LBPRGKRZSA-N 1 1 332.404 0.957 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C(C)(C)C1 ZINC000974769010 742159782 /nfs/dbraw/zinc/15/97/82/742159782.db2.gz WLYLYMFGNMUGMV-CQSZACIVSA-N 1 1 342.399 0.876 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974769222 742160647 /nfs/dbraw/zinc/16/06/47/742160647.db2.gz WSBHTMMVDMSAAL-LBPRGKRZSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000974859638 742275413 /nfs/dbraw/zinc/27/54/13/742275413.db2.gz BWERBMXNZCFXQB-AWEZNQCLSA-N 1 1 327.388 0.404 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000974859638 742275419 /nfs/dbraw/zinc/27/54/19/742275419.db2.gz BWERBMXNZCFXQB-AWEZNQCLSA-N 1 1 327.388 0.404 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000974881843 742289768 /nfs/dbraw/zinc/28/97/68/742289768.db2.gz RAWLHXMTQONCSY-UONOGXRCSA-N 1 1 329.404 0.215 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3c[nH]nc3C)C(C)(C)C2)C1=O ZINC000974889267 742308884 /nfs/dbraw/zinc/30/88/84/742308884.db2.gz GNUJKRZAWAEEQR-HUUCEWRRSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3c[nH]nc3C)C(C)(C)C2)C1=O ZINC000974889267 742308891 /nfs/dbraw/zinc/30/88/91/742308891.db2.gz GNUJKRZAWAEEQR-HUUCEWRRSA-N 1 1 345.447 0.945 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C(C)(C)C1 ZINC000974889791 742309075 /nfs/dbraw/zinc/30/90/75/742309075.db2.gz ZDMQMLWGYYMPJX-ARFHVFGLSA-N 1 1 335.448 0.472 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)Cc3cnoc3)C(C)(C)C2)C1=O ZINC000974936128 742376560 /nfs/dbraw/zinc/37/65/60/742376560.db2.gz QWLSVRQDKMQYSU-GJZGRUSLSA-N 1 1 346.431 0.831 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)Cc3cnoc3)C(C)(C)C2)C1=O ZINC000974936128 742376565 /nfs/dbraw/zinc/37/65/65/742376565.db2.gz QWLSVRQDKMQYSU-GJZGRUSLSA-N 1 1 346.431 0.831 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C(C)(C)C1 ZINC000974979881 742402250 /nfs/dbraw/zinc/40/22/50/742402250.db2.gz DEUHHFLKSSDPTK-CJNGLKHVSA-N 1 1 329.448 0.770 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccnnc3)C(C)(C)C2)C1=O ZINC000975098087 742496605 /nfs/dbraw/zinc/49/66/05/742496605.db2.gz PSYVESBERCRQNO-LSDHHAIUSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccnnc3)C(C)(C)C2)C1=O ZINC000975098087 742496606 /nfs/dbraw/zinc/49/66/06/742496606.db2.gz PSYVESBERCRQNO-LSDHHAIUSA-N 1 1 343.431 0.704 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000975228006 742622570 /nfs/dbraw/zinc/62/25/70/742622570.db2.gz ZBQLNOYIMYWUFL-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC001125982256 742681780 /nfs/dbraw/zinc/68/17/80/742681780.db2.gz UHWARCAXCCJTKR-LBPRGKRZSA-N 1 1 328.372 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC000975364317 742755798 /nfs/dbraw/zinc/75/57/98/742755798.db2.gz YAERZZFCEUPCAW-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC000975364317 742755802 /nfs/dbraw/zinc/75/58/02/742755802.db2.gz YAERZZFCEUPCAW-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ccon2)C1 ZINC000975364328 742755896 /nfs/dbraw/zinc/75/58/96/742755896.db2.gz YAERZZFCEUPCAW-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ccon2)C1 ZINC000975364328 742755900 /nfs/dbraw/zinc/75/59/00/742755900.db2.gz YAERZZFCEUPCAW-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000975365078 742756418 /nfs/dbraw/zinc/75/64/18/742756418.db2.gz IWLNBHZCYLCLKG-QWHCGFSZSA-N 1 1 347.419 0.864 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)O1 ZINC000975372989 742766015 /nfs/dbraw/zinc/76/60/15/742766015.db2.gz ZLESZYDMHVBNLY-HYVNUMGLSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)O1 ZINC000975372989 742766020 /nfs/dbraw/zinc/76/60/20/742766020.db2.gz ZLESZYDMHVBNLY-HYVNUMGLSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001006748059 751761235 /nfs/dbraw/zinc/76/12/35/751761235.db2.gz BUXYLTZBHJGYCH-GJZGRUSLSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001006748059 751761242 /nfs/dbraw/zinc/76/12/42/751761242.db2.gz BUXYLTZBHJGYCH-GJZGRUSLSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)C2(S(C)(=O)=O)CCC2)CC1 ZINC001098516514 751766032 /nfs/dbraw/zinc/76/60/32/751766032.db2.gz WKELOUGUNFTXJT-UHFFFAOYSA-N 1 1 344.477 0.425 20 30 ECEDMO CC#CCN1CC[NH+](C2CCC(NC(=O)c3cnn[nH]3)CC2)CC1 ZINC000996782518 742853129 /nfs/dbraw/zinc/85/31/29/742853129.db2.gz MHBVROOHOHJQCF-UHFFFAOYSA-N 1 1 330.436 0.487 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)nc1 ZINC001028935518 742915118 /nfs/dbraw/zinc/91/51/18/742915118.db2.gz FXHLDBYSEQYVGL-AWEZNQCLSA-N 1 1 326.400 0.393 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001028939965 742936903 /nfs/dbraw/zinc/93/69/03/742936903.db2.gz VSNQAFXDCWRZAK-HIFRSBDPSA-N 1 1 340.427 0.782 20 30 ECEDMO CC[NH+]=C(NC[C@H]1CCN(CC)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261951074 743089741 /nfs/dbraw/zinc/08/97/41/743089741.db2.gz HKDWVQDRFSQMQZ-CQSZACIVSA-N 1 1 344.525 0.803 20 30 ECEDMO CCO[C@@H](CC)C(=O)NC[C@@H]1C[N@H+](CC#CCOC)CCCO1 ZINC001149310216 743126213 /nfs/dbraw/zinc/12/62/13/743126213.db2.gz MBNKTBJVXQYFMX-CVEARBPZSA-N 1 1 326.437 0.658 20 30 ECEDMO CCO[C@@H](CC)C(=O)NC[C@@H]1C[N@@H+](CC#CCOC)CCCO1 ZINC001149310216 743126217 /nfs/dbraw/zinc/12/62/17/743126217.db2.gz MBNKTBJVXQYFMX-CVEARBPZSA-N 1 1 326.437 0.658 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnccn3)C2)C1=O ZINC001027280618 743424936 /nfs/dbraw/zinc/42/49/36/743424936.db2.gz ZGONHLYJNRHDQK-GDBMZVCRSA-N 1 1 343.431 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncc1 ZINC000976056420 743502021 /nfs/dbraw/zinc/50/20/21/743502021.db2.gz MACCVCASORDTPB-VVLHAWIVSA-N 1 1 338.411 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncc1 ZINC000976056420 743502025 /nfs/dbraw/zinc/50/20/25/743502025.db2.gz MACCVCASORDTPB-VVLHAWIVSA-N 1 1 338.411 0.366 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@]3(COC)CCOC3)C2)nn1 ZINC001098695312 743543866 /nfs/dbraw/zinc/54/38/66/743543866.db2.gz SVEZTZDCVIJPIE-RDJZCZTQSA-N 1 1 349.435 0.380 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)nn1 ZINC001098641651 751849508 /nfs/dbraw/zinc/84/95/08/751849508.db2.gz WALZTFGHCFFVJY-OAHLLOKOSA-N 1 1 329.408 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncc(C)cc2C)C1 ZINC000997596983 743700465 /nfs/dbraw/zinc/70/04/65/743700465.db2.gz XLLSKDXYYGXVNW-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncc(C)cc2C)C1 ZINC000997596983 743700466 /nfs/dbraw/zinc/70/04/66/743700466.db2.gz XLLSKDXYYGXVNW-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(COC)ncn2)C1 ZINC001059871075 751851519 /nfs/dbraw/zinc/85/15/19/751851519.db2.gz RWRKCJATBWUZSK-LZWOXQAQSA-N 1 1 343.431 0.780 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(COC)ncn2)C1 ZINC001059871075 751851526 /nfs/dbraw/zinc/85/15/26/751851526.db2.gz RWRKCJATBWUZSK-LZWOXQAQSA-N 1 1 343.431 0.780 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000997782952 743808564 /nfs/dbraw/zinc/80/85/64/743808564.db2.gz YQYVXSMCABTPOP-JQWIXIFHSA-N 1 1 342.827 0.554 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000976309167 743817374 /nfs/dbraw/zinc/81/73/74/743817374.db2.gz IKXCEPUSGYFNOV-BARDWOONSA-N 1 1 335.448 0.492 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000976309167 743817379 /nfs/dbraw/zinc/81/73/79/743817379.db2.gz IKXCEPUSGYFNOV-BARDWOONSA-N 1 1 335.448 0.492 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC([C@H](C)NC(=O)c3ncn[nH]3)CC2)C1=O ZINC000997804486 743819485 /nfs/dbraw/zinc/81/94/85/743819485.db2.gz DGXWDXOBFRSYHY-GXTWGEPZSA-N 1 1 346.435 0.422 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC([C@H](C)NC(=O)c3nc[nH]n3)CC2)C1=O ZINC000997804486 743819491 /nfs/dbraw/zinc/81/94/91/743819491.db2.gz DGXWDXOBFRSYHY-GXTWGEPZSA-N 1 1 346.435 0.422 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001059872647 751869481 /nfs/dbraw/zinc/86/94/81/751869481.db2.gz DNAUGSADCYAOTD-JJAZEVLHSA-N 1 1 343.431 0.462 20 30 ECEDMO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001059872647 751869486 /nfs/dbraw/zinc/86/94/86/751869486.db2.gz DNAUGSADCYAOTD-JJAZEVLHSA-N 1 1 343.431 0.462 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)O1 ZINC001059872871 751870399 /nfs/dbraw/zinc/87/03/99/751870399.db2.gz MBQNBUNMBNSLIH-BQDHKBFISA-N 1 1 329.404 0.731 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)O1 ZINC001059872871 751870406 /nfs/dbraw/zinc/87/04/06/751870406.db2.gz MBQNBUNMBNSLIH-BQDHKBFISA-N 1 1 329.404 0.731 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000976409505 743919920 /nfs/dbraw/zinc/91/99/20/743919920.db2.gz TZNORRUHCQAGIE-ORDIRQJYSA-N 1 1 341.415 0.271 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C)c2cncnc2)C1 ZINC000998117348 743986680 /nfs/dbraw/zinc/98/66/80/743986680.db2.gz SVDRUHZYQVHUCF-CJNGLKHVSA-N 1 1 341.415 0.005 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C)c2cncnc2)C1 ZINC000998117348 743986682 /nfs/dbraw/zinc/98/66/82/743986682.db2.gz SVDRUHZYQVHUCF-CJNGLKHVSA-N 1 1 341.415 0.005 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000998152447 744009663 /nfs/dbraw/zinc/00/96/63/744009663.db2.gz BVXMVJGAGMUEAD-LSDHHAIUSA-N 1 1 343.493 0.909 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 ZINC000976498272 744025441 /nfs/dbraw/zinc/02/54/41/744025441.db2.gz AYMQQZSYFLBYBC-ARKGTOAJSA-N 1 1 332.448 0.982 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001058771218 744067923 /nfs/dbraw/zinc/06/79/23/744067923.db2.gz WDZUQFCWVINUFL-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000976550806 744076157 /nfs/dbraw/zinc/07/61/57/744076157.db2.gz WAJDIFBXVBPWLW-NCOADZHNSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000976550806 744076161 /nfs/dbraw/zinc/07/61/61/744076161.db2.gz WAJDIFBXVBPWLW-NCOADZHNSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CC)nn2C)C1 ZINC000998341827 744123475 /nfs/dbraw/zinc/12/34/75/744123475.db2.gz NMMRUHXTFAWJTM-HNNXBMFYSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CC)nn2C)C1 ZINC000998341827 744123478 /nfs/dbraw/zinc/12/34/78/744123478.db2.gz NMMRUHXTFAWJTM-HNNXBMFYSA-N 1 1 343.431 0.021 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000976660987 744192416 /nfs/dbraw/zinc/19/24/16/744192416.db2.gz WMYRBZDKOCFJTO-UIBIWLFHSA-N 1 1 329.444 0.847 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000976672060 744204555 /nfs/dbraw/zinc/20/45/55/744204555.db2.gz QURUNBPEMDNHKY-IMBTUZDBSA-N 1 1 343.471 0.951 20 30 ECEDMO CC(C)n1nnnc1C[NH2+]C1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000998603005 744250689 /nfs/dbraw/zinc/25/06/89/744250689.db2.gz CPDLIDHCWSWDFV-UHFFFAOYSA-N 1 1 342.407 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(F)CCCC3)C[C@H]21 ZINC000976734741 744259381 /nfs/dbraw/zinc/25/93/81/744259381.db2.gz HVBMGMNVLHEZIX-XUWVNRHRSA-N 1 1 347.434 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(F)CCCC3)C[C@H]21 ZINC000976734741 744259385 /nfs/dbraw/zinc/25/93/85/744259385.db2.gz HVBMGMNVLHEZIX-XUWVNRHRSA-N 1 1 347.434 0.939 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(C4CC4)CC3)C[C@H]21 ZINC000976734790 744259488 /nfs/dbraw/zinc/25/94/88/744259488.db2.gz IZNHULPSBZVXIL-VVLHAWIVSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(C4CC4)CC3)C[C@H]21 ZINC000976734790 744259490 /nfs/dbraw/zinc/25/94/90/744259490.db2.gz IZNHULPSBZVXIL-VVLHAWIVSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](OC)C(C)C)C[C@H]21 ZINC000976737260 744263421 /nfs/dbraw/zinc/26/34/21/744263421.db2.gz RYRFMKPOFGRUIT-DMRKSPOLSA-N 1 1 347.459 0.328 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](OC)C(C)C)C[C@H]21 ZINC000976737260 744263423 /nfs/dbraw/zinc/26/34/23/744263423.db2.gz RYRFMKPOFGRUIT-DMRKSPOLSA-N 1 1 347.459 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3ccoc3)C[C@H]21 ZINC000976738435 744264668 /nfs/dbraw/zinc/26/46/68/744264668.db2.gz DMBDWGKPWYKXST-UIBIWLFHSA-N 1 1 341.411 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3ccoc3)C[C@H]21 ZINC000976738435 744264670 /nfs/dbraw/zinc/26/46/70/744264670.db2.gz DMBDWGKPWYKXST-UIBIWLFHSA-N 1 1 341.411 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C)on3)C[C@H]21 ZINC000976742204 744277842 /nfs/dbraw/zinc/27/78/42/744277842.db2.gz SJXYIZXUSWKBDA-LQKXBSAESA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C)on3)C[C@H]21 ZINC000976742204 744277844 /nfs/dbraw/zinc/27/78/44/744277844.db2.gz SJXYIZXUSWKBDA-LQKXBSAESA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C[C@H]21 ZINC000976742985 744278696 /nfs/dbraw/zinc/27/86/96/744278696.db2.gz VJIRVHIYJCTHCC-NDVFFRQXSA-N 1 1 341.455 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C[C@H]21 ZINC000976742985 744278698 /nfs/dbraw/zinc/27/86/98/744278698.db2.gz VJIRVHIYJCTHCC-NDVFFRQXSA-N 1 1 341.455 0.703 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2ncnn2CC(F)F)C1 ZINC000998748171 744312946 /nfs/dbraw/zinc/31/29/46/744312946.db2.gz VMMQELGRJVQIAM-MNOVXSKESA-N 1 1 326.351 0.783 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC000998750645 744314679 /nfs/dbraw/zinc/31/46/79/744314679.db2.gz FIUDPVCYKJTIJC-UWVGGRQHSA-N 1 1 345.329 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(F)CCCC1 ZINC000976781000 744316225 /nfs/dbraw/zinc/31/62/25/744316225.db2.gz PYPCNEAGUNAEKV-XUWVNRHRSA-N 1 1 347.434 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(F)CCCC1 ZINC000976781000 744316228 /nfs/dbraw/zinc/31/62/28/744316228.db2.gz PYPCNEAGUNAEKV-XUWVNRHRSA-N 1 1 347.434 0.939 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001027431843 744372851 /nfs/dbraw/zinc/37/28/51/744372851.db2.gz MZHBOEAPGHLCBB-HZPDHXFCSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000976867729 744423435 /nfs/dbraw/zinc/42/34/35/744423435.db2.gz LWFRLVWGLXQVRZ-UDOHHAEJSA-N 1 1 347.459 0.492 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2nnc(C)o2)C1 ZINC001027446186 744482676 /nfs/dbraw/zinc/48/26/76/744482676.db2.gz ATUTVFKIZXVSRX-HOTGVXAUSA-N 1 1 345.447 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2nnc(C)o2)C1 ZINC001027446186 744482679 /nfs/dbraw/zinc/48/26/79/744482679.db2.gz ATUTVFKIZXVSRX-HOTGVXAUSA-N 1 1 345.447 0.898 20 30 ECEDMO C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)c2ncccc2O)c1 ZINC001126124738 744771633 /nfs/dbraw/zinc/77/16/33/744771633.db2.gz DZRCVMITVHEIFO-UHFFFAOYSA-N 1 1 338.367 0.727 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC000977226649 744797803 /nfs/dbraw/zinc/79/78/03/744797803.db2.gz NDNQHCLGSUWYCS-JHMPBIJASA-N 1 1 347.459 0.635 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccon3)C2)nn1 ZINC001098626221 744825052 /nfs/dbraw/zinc/82/50/52/744825052.db2.gz LZMDAFBOTCNXKV-CQSZACIVSA-N 1 1 346.391 0.646 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+]([C@H]3CCCNC3=O)CC2(C)C)nn1 ZINC000977270549 744825972 /nfs/dbraw/zinc/82/59/72/744825972.db2.gz CFTPNJWDYRQUDY-KBPBESRZSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCCNC3=O)CC2(C)C)nn1 ZINC000977270549 744825974 /nfs/dbraw/zinc/82/59/74/744825974.db2.gz CFTPNJWDYRQUDY-KBPBESRZSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977301755 744846557 /nfs/dbraw/zinc/84/65/57/744846557.db2.gz IRWIQPBGOUBVKG-UONOGXRCSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977301755 744846560 /nfs/dbraw/zinc/84/65/60/744846560.db2.gz IRWIQPBGOUBVKG-UONOGXRCSA-N 1 1 348.451 0.558 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C[C@@]2(C)C1 ZINC000982320358 751952049 /nfs/dbraw/zinc/95/20/49/751952049.db2.gz RZYYEWDAQQYFDF-XWIAVFTESA-N 1 1 343.431 0.350 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc[nH]1 ZINC000977392739 744914315 /nfs/dbraw/zinc/91/43/15/744914315.db2.gz SLJJLLJWABDGEA-HOCLYGCPSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc[nH]1 ZINC000977392739 744914317 /nfs/dbraw/zinc/91/43/17/744914317.db2.gz SLJJLLJWABDGEA-HOCLYGCPSA-N 1 1 328.416 0.785 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977384990 744918756 /nfs/dbraw/zinc/91/87/56/744918756.db2.gz FLHPLZYEHJYPMM-ZBFHGGJFSA-N 1 1 345.447 0.778 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977384990 744918758 /nfs/dbraw/zinc/91/87/58/744918758.db2.gz FLHPLZYEHJYPMM-ZBFHGGJFSA-N 1 1 345.447 0.778 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC000999853692 744947408 /nfs/dbraw/zinc/94/74/08/744947408.db2.gz USPQGNUILFVBOJ-CYBMUJFWSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087475417 744966126 /nfs/dbraw/zinc/96/61/26/744966126.db2.gz GVNURAOYSRQMGS-HOTGVXAUSA-N 1 1 329.400 0.478 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000977450252 745006947 /nfs/dbraw/zinc/00/69/47/745006947.db2.gz QIVAFAXMHSSVQM-AWEZNQCLSA-N 1 1 347.463 0.784 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000999890392 745015270 /nfs/dbraw/zinc/01/52/70/745015270.db2.gz ZGRALIKZPROTGV-WBMJQRKESA-N 1 1 326.400 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC000977470771 745060147 /nfs/dbraw/zinc/06/01/47/745060147.db2.gz BNLUMUDKCCUQRZ-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 ZINC000999935623 745068434 /nfs/dbraw/zinc/06/84/34/745068434.db2.gz BIKGZDHGYMIPLW-CQSZACIVSA-N 1 1 331.376 0.053 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[N@H+](C[C@H](C)O)CC1(C)C ZINC000977508937 745093848 /nfs/dbraw/zinc/09/38/48/745093848.db2.gz CMSHDBZODHDBJR-ZFWWWQNUSA-N 1 1 331.416 0.915 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)c3cnc[nH]3)C2)nn1 ZINC001105360570 751971214 /nfs/dbraw/zinc/97/12/14/751971214.db2.gz BCEUYABFZNHWFC-UHFFFAOYSA-N 1 1 329.408 0.638 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3nccnc3N)nn2)C1 ZINC000999961731 745104647 /nfs/dbraw/zinc/10/46/47/745104647.db2.gz JGSCQJFLZNGFGF-ZDUSSCGKSA-N 1 1 342.407 0.403 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nccnc3N)nn2)C1 ZINC000999961729 745104744 /nfs/dbraw/zinc/10/47/44/745104744.db2.gz JGSCQJFLZNGFGF-CYBMUJFWSA-N 1 1 342.407 0.403 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001167985389 745107877 /nfs/dbraw/zinc/10/78/77/745107877.db2.gz GNLVATJZHAXOHK-CQSZACIVSA-N 1 1 348.451 0.446 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(CC)n[nH]3)nn2)C1 ZINC000999964854 745109360 /nfs/dbraw/zinc/10/93/60/745109360.db2.gz GAQOBBZPXLLJOR-AWEZNQCLSA-N 1 1 329.408 0.926 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1cc(C#N)c[nH]1 ZINC000977520664 745113640 /nfs/dbraw/zinc/11/36/40/745113640.db2.gz PXXJPQMGFCWNLT-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)n1 ZINC001027531730 745114811 /nfs/dbraw/zinc/11/48/11/745114811.db2.gz PWUAMSKMFDKPRG-OAHLLOKOSA-N 1 1 339.403 0.818 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3snnc3C)nn2)C1 ZINC000999969843 745115949 /nfs/dbraw/zinc/11/59/49/745115949.db2.gz ZDAZRELFENGVQN-LBPRGKRZSA-N 1 1 333.421 0.801 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cccnc3)[C@@H](O)C2)c1 ZINC001083408021 745123777 /nfs/dbraw/zinc/12/37/77/745123777.db2.gz PXBZCBWDKJAGIM-MSOLQXFVSA-N 1 1 336.395 0.857 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)Cc3cccnc3)[C@@H](O)C2)c1 ZINC001083408021 745123780 /nfs/dbraw/zinc/12/37/80/745123780.db2.gz PXBZCBWDKJAGIM-MSOLQXFVSA-N 1 1 336.395 0.857 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 ZINC000999975212 745124581 /nfs/dbraw/zinc/12/45/81/745124581.db2.gz QDTSBIHSAWGLGX-AWEZNQCLSA-N 1 1 327.392 0.212 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC000999977930 745126854 /nfs/dbraw/zinc/12/68/54/745126854.db2.gz COTKCLKVHCVTIH-FZMZJTMJSA-N 1 1 343.391 0.035 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCOCC3)nn2)C1 ZINC000999987159 745142130 /nfs/dbraw/zinc/14/21/30/745142130.db2.gz VYRWWXRQRIHLNE-DOTOQJQBSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCO[C@H]3C=C)nn2)C1 ZINC000999988095 745143595 /nfs/dbraw/zinc/14/35/95/745143595.db2.gz SQBRUDQYOXLSED-BBWFWOEESA-N 1 1 343.431 0.756 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)nc1 ZINC000977527437 745147538 /nfs/dbraw/zinc/14/75/38/745147538.db2.gz REQNKIFAGWSQPF-CJNGLKHVSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)nc1 ZINC000977527437 745147541 /nfs/dbraw/zinc/14/75/41/745147541.db2.gz REQNKIFAGWSQPF-CJNGLKHVSA-N 1 1 342.443 0.980 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(CC)n3)nn2)C1 ZINC000999992195 745150269 /nfs/dbraw/zinc/15/02/69/745150269.db2.gz PLPVSNAAILVMOU-AWEZNQCLSA-N 1 1 344.423 0.642 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3nn(C)cc3C)nn2)C1 ZINC000999993974 745153210 /nfs/dbraw/zinc/15/32/10/745153210.db2.gz YBBQWDVESBCEOE-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@]34CCC[C@H]3OCC4)nn2)C1 ZINC001000001620 745164309 /nfs/dbraw/zinc/16/43/09/745164309.db2.gz ODARQOSUJBVRCY-JZXOWHBKSA-N 1 1 343.431 0.734 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]nnc3C)nn2)C1 ZINC001000019043 745188893 /nfs/dbraw/zinc/18/88/93/745188893.db2.gz RVQXCDNWBZCIPG-CYBMUJFWSA-N 1 1 330.396 0.458 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncc(C#C)c3)nn2)C1 ZINC001000019053 745188959 /nfs/dbraw/zinc/18/89/59/745188959.db2.gz CFWCJJXVXLFDSF-SFHVURJKSA-N 1 1 348.410 0.855 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]nnc3C)nn2)C1 ZINC001000019416 745189757 /nfs/dbraw/zinc/18/97/57/745189757.db2.gz SMGKJTKYDCUSHC-ZDUSSCGKSA-N 1 1 330.396 0.458 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3C=C)nn2)C1 ZINC001000019373 745189812 /nfs/dbraw/zinc/18/98/12/745189812.db2.gz DGJYMBFSPPVIMZ-XHSDSOJGSA-N 1 1 331.420 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3conc3CC)nn2)C1 ZINC001000021117 745191936 /nfs/dbraw/zinc/19/19/36/745191936.db2.gz PDMJFLYADBBHDR-ZDUSSCGKSA-N 1 1 328.376 0.639 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)nn2)C1 ZINC001000021215 745192140 /nfs/dbraw/zinc/19/21/40/745192140.db2.gz QERHOKOZTQUUAU-IPYPFGDCSA-N 1 1 346.435 0.229 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3C=C)nn2)C1 ZINC001000022309 745193292 /nfs/dbraw/zinc/19/32/92/745193292.db2.gz VALCQZUYHJFWDD-XHSDSOJGSA-N 1 1 329.404 0.365 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(C)c3C)nn2)C1 ZINC001000023139 745193990 /nfs/dbraw/zinc/19/39/90/745193990.db2.gz YFUHQAPZOREGFI-HNNXBMFYSA-N 1 1 326.404 0.735 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(CC)nc3C)nn2)C1 ZINC001000025462 745196651 /nfs/dbraw/zinc/19/66/51/745196651.db2.gz PVMBNGLVJBAILF-HNNXBMFYSA-N 1 1 341.419 0.613 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)s1 ZINC001006922196 751980287 /nfs/dbraw/zinc/98/02/87/751980287.db2.gz XKGILYZZGXAXBX-SMDDNHRTSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)s1 ZINC001006922196 751980292 /nfs/dbraw/zinc/98/02/92/751980292.db2.gz XKGILYZZGXAXBX-SMDDNHRTSA-N 1 1 332.429 0.979 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001000031096 745204992 /nfs/dbraw/zinc/20/49/92/745204992.db2.gz VVQYKALUKYKUFI-CQSZACIVSA-N 1 1 325.376 0.268 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(COC)on3)nn2)C1 ZINC001000031433 745205894 /nfs/dbraw/zinc/20/58/94/745205894.db2.gz OEFYORSAINJJHE-ZDUSSCGKSA-N 1 1 344.375 0.223 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(CC)on3)nn2)C1 ZINC001000034835 745210198 /nfs/dbraw/zinc/21/01/98/745210198.db2.gz JNHSHNAAUCIRKU-ZDUSSCGKSA-N 1 1 328.376 0.639 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnon3)nn2)C1 ZINC001000036761 745214102 /nfs/dbraw/zinc/21/41/02/745214102.db2.gz PFRWKPWYDXNGEO-NSHDSACASA-N 1 1 337.771 0.590 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnon3)nn2)C1 ZINC001000036761 745214104 /nfs/dbraw/zinc/21/41/04/745214104.db2.gz PFRWKPWYDXNGEO-NSHDSACASA-N 1 1 337.771 0.590 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3oc(CC)nc3C)nn2)C1 ZINC001000038449 745217137 /nfs/dbraw/zinc/21/71/37/745217137.db2.gz WDXDFLOQUXCUOE-CQSZACIVSA-N 1 1 342.403 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnccn3)[C@H]2CC)C1=O ZINC001087490140 745219722 /nfs/dbraw/zinc/21/97/22/745219722.db2.gz IMOGTOSAZNCJNQ-IMJJTQAJSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnccn3)[C@H]2CC)C1=O ZINC001087490140 745219725 /nfs/dbraw/zinc/21/97/25/745219725.db2.gz IMOGTOSAZNCJNQ-IMJJTQAJSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(CC)n(C)n3)nn2)C1 ZINC001000041505 745220265 /nfs/dbraw/zinc/22/02/65/745220265.db2.gz FUESSXXFLURYGT-HNNXBMFYSA-N 1 1 343.435 0.937 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCN(C(C)=O)C3)nn2)C1 ZINC001000042758 745222334 /nfs/dbraw/zinc/22/23/34/745222334.db2.gz HDMSKOGDPMSLNZ-GDBMZVCRSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001000042309 745222617 /nfs/dbraw/zinc/22/26/17/745222617.db2.gz FDQCQJNOMXOZHY-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]cnc3C)nn2)C1 ZINC001000042283 745222651 /nfs/dbraw/zinc/22/26/51/745222651.db2.gz LRMCMBRYFWGZTB-CQSZACIVSA-N 1 1 327.392 0.510 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 ZINC001000043989 745224512 /nfs/dbraw/zinc/22/45/12/745224512.db2.gz SUULLBZRBUFYJD-HOTGVXAUSA-N 1 1 345.451 0.539 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(OC)ncnc2OC)C(C)(C)C1 ZINC000977643971 745327872 /nfs/dbraw/zinc/32/78/72/745327872.db2.gz YMGVCVZMMIKSTM-GFCCVEGCSA-N 1 1 332.404 0.957 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(OC)ncnc2OC)C(C)(C)C1 ZINC000977643971 745327874 /nfs/dbraw/zinc/32/78/74/745327874.db2.gz YMGVCVZMMIKSTM-GFCCVEGCSA-N 1 1 332.404 0.957 20 30 ECEDMO CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001000202009 745341953 /nfs/dbraw/zinc/34/19/53/745341953.db2.gz JAMQQTTXEHDWKX-AWEZNQCLSA-N 1 1 338.473 0.805 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCc3c[nH]nn3)C2)C1=O ZINC001000232154 745369106 /nfs/dbraw/zinc/36/91/06/745369106.db2.gz NONGRQCKMNAHJR-CABCVRRESA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCc3cnn[nH]3)C2)C1=O ZINC001000232154 745369111 /nfs/dbraw/zinc/36/91/11/745369111.db2.gz NONGRQCKMNAHJR-CABCVRRESA-N 1 1 346.435 0.105 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027552559 745406463 /nfs/dbraw/zinc/40/64/63/745406463.db2.gz XRLSABRNASYZDS-HZPDHXFCSA-N 1 1 341.415 0.662 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027552559 745406465 /nfs/dbraw/zinc/40/64/65/745406465.db2.gz XRLSABRNASYZDS-HZPDHXFCSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn(C)c4)[C@@H]3C2)C1=O ZINC000977770442 745473945 /nfs/dbraw/zinc/47/39/45/745473945.db2.gz CJVOLLBZWFVODQ-JONQDZQNSA-N 1 1 343.431 0.115 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)nn1 ZINC001000404573 745478273 /nfs/dbraw/zinc/47/82/73/745478273.db2.gz OFWHUBMQMRWKFQ-LBPRGKRZSA-N 1 1 330.396 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csnn2)C1 ZINC000983907700 745489998 /nfs/dbraw/zinc/48/99/98/745489998.db2.gz ZOIANIDQXIVKIC-YDHLFZDLSA-N 1 1 333.461 0.620 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001027568079 745588466 /nfs/dbraw/zinc/58/84/66/745588466.db2.gz AGKFEVWIYQFAFM-NSHDSACASA-N 1 1 341.437 0.170 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000983965927 745593825 /nfs/dbraw/zinc/59/38/25/745593825.db2.gz MBHUQHCZQKRCGS-PMPSAXMXSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000983965927 745593830 /nfs/dbraw/zinc/59/38/30/745593830.db2.gz MBHUQHCZQKRCGS-PMPSAXMXSA-N 1 1 335.448 0.568 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cnnn3C)C2)c1 ZINC001027568608 745595987 /nfs/dbraw/zinc/59/59/87/745595987.db2.gz NZEHVBTXEMCBQQ-MRXNPFEDSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cnnn3C)C2)c1 ZINC001027568608 745595990 /nfs/dbraw/zinc/59/59/90/745595990.db2.gz NZEHVBTXEMCBQQ-MRXNPFEDSA-N 1 1 338.415 0.928 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3cn(C)cn3)CC2)C1=O ZINC001000574206 745609241 /nfs/dbraw/zinc/60/92/41/745609241.db2.gz ULWLDAMUVYJFFI-MRXNPFEDSA-N 1 1 343.431 0.569 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001000593940 745623388 /nfs/dbraw/zinc/62/33/88/745623388.db2.gz GDPTVJKXAQVCMN-GFCCVEGCSA-N 1 1 341.415 0.915 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001000593940 745623393 /nfs/dbraw/zinc/62/33/93/745623393.db2.gz GDPTVJKXAQVCMN-GFCCVEGCSA-N 1 1 341.415 0.915 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC001000599618 745625455 /nfs/dbraw/zinc/62/54/55/745625455.db2.gz FJBPYWSVTAGOBE-MRXNPFEDSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CCC([C@@H]2[N@@H+](CCO)CC23CCC3)CC1 ZINC001105392382 745653953 /nfs/dbraw/zinc/65/39/53/745653953.db2.gz YWZLQTLJGKLCQX-SFHVURJKSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(C)[nH]n1 ZINC000977933338 745690256 /nfs/dbraw/zinc/69/02/56/745690256.db2.gz ZAEFSGSQAQJKCL-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(C)n[nH]1 ZINC000977933338 745690260 /nfs/dbraw/zinc/69/02/60/745690260.db2.gz ZAEFSGSQAQJKCL-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(C)n[nH]1 ZINC000977933338 745690261 /nfs/dbraw/zinc/69/02/61/745690261.db2.gz ZAEFSGSQAQJKCL-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(C)[nH]n1 ZINC000977933338 745690266 /nfs/dbraw/zinc/69/02/66/745690266.db2.gz ZAEFSGSQAQJKCL-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(C)[nH]n1 ZINC000977933338 745690271 /nfs/dbraw/zinc/69/02/71/745690271.db2.gz ZAEFSGSQAQJKCL-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCCN(C)C2=O)cn1 ZINC001028270475 752024264 /nfs/dbraw/zinc/02/42/64/752024264.db2.gz KUCOTNMWUSUZDV-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1cncc(C#N)n1 ZINC001126523759 745729941 /nfs/dbraw/zinc/72/99/41/745729941.db2.gz PFBQBZDZRAARAE-CQSZACIVSA-N 1 1 346.435 0.259 20 30 ECEDMO Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)o1 ZINC000977972114 745759476 /nfs/dbraw/zinc/75/94/76/745759476.db2.gz YNMAGLBKZRHQTD-XYYAHUGASA-N 1 1 326.360 0.686 20 30 ECEDMO Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)o1 ZINC000977972114 745759478 /nfs/dbraw/zinc/75/94/78/745759478.db2.gz YNMAGLBKZRHQTD-XYYAHUGASA-N 1 1 326.360 0.686 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC ZINC001028270752 752030848 /nfs/dbraw/zinc/03/08/48/752030848.db2.gz RQUMOAGKKDSVPD-ZIAGYGMSSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC ZINC001028270752 752030851 /nfs/dbraw/zinc/03/08/51/752030851.db2.gz RQUMOAGKKDSVPD-ZIAGYGMSSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nonc2C)CC1 ZINC001000791665 745769080 /nfs/dbraw/zinc/76/90/80/745769080.db2.gz RPFNVCNDDMNJDC-KRWDZBQOSA-N 1 1 343.431 0.724 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nonc2C)CC1 ZINC001000791665 745769086 /nfs/dbraw/zinc/76/90/86/745769086.db2.gz RPFNVCNDDMNJDC-KRWDZBQOSA-N 1 1 343.431 0.724 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)C3CC(OC)C3)CC2)C1=O ZINC001000817471 745795749 /nfs/dbraw/zinc/79/57/49/745795749.db2.gz WRWNBWAIAZPZLZ-JCYILVPMSA-N 1 1 347.459 0.947 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982353180 752034745 /nfs/dbraw/zinc/03/47/45/752034745.db2.gz POUULBMCYQAVOI-BHYGNILZSA-N 1 1 338.473 0.615 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001020726786 752034830 /nfs/dbraw/zinc/03/48/30/752034830.db2.gz XGUFMLUDHMEVEP-ABHRYQDASA-N 1 1 349.435 0.854 20 30 ECEDMO Cn1nncc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000978076279 745886137 /nfs/dbraw/zinc/88/61/37/745886137.db2.gz CMEQLSVGGVJIMG-OSYLJGHBSA-N 1 1 335.411 0.774 20 30 ECEDMO Cn1cnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)n1 ZINC000978138065 745953407 /nfs/dbraw/zinc/95/34/07/745953407.db2.gz BHJJRZHOZZVBGF-OSYLJGHBSA-N 1 1 335.411 0.774 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](NCc3cnns3)C2)CC1 ZINC001000990159 745956184 /nfs/dbraw/zinc/95/61/84/745956184.db2.gz AGTSFCMURHKZFC-HNNXBMFYSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NCc3ccn(C)n3)C2)CC1 ZINC001000995763 745960854 /nfs/dbraw/zinc/96/08/54/745960854.db2.gz ZNLLZMJVDPVDPL-GOSISDBHSA-N 1 1 343.475 0.846 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001001020469 745986138 /nfs/dbraw/zinc/98/61/38/745986138.db2.gz HAMOKUDBMZVCPN-UHFFFAOYSA-N 1 1 340.391 0.079 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)[C@@H]2C1 ZINC000978198596 746025560 /nfs/dbraw/zinc/02/55/60/746025560.db2.gz QITCNKPZYQRWPT-JONQDZQNSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001028273354 752053477 /nfs/dbraw/zinc/05/34/77/752053477.db2.gz NADUPLOQSFMAQB-CYBMUJFWSA-N 1 1 325.368 0.788 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001007032118 752055427 /nfs/dbraw/zinc/05/54/27/752055427.db2.gz ZHYFKCGICKDXIK-OAHLLOKOSA-N 1 1 341.419 0.989 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2c(C)c[nH]c2CC(N)=O)CC1 ZINC001001179523 746141878 /nfs/dbraw/zinc/14/18/78/746141878.db2.gz OLTVDZGOSCMNIF-UHFFFAOYSA-N 1 1 328.416 0.736 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC000978280575 746143144 /nfs/dbraw/zinc/14/31/44/746143144.db2.gz JNHXFZIDKPHPNI-FJIDUMEYSA-N 1 1 342.443 0.875 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC000978280575 746143147 /nfs/dbraw/zinc/14/31/47/746143147.db2.gz JNHXFZIDKPHPNI-FJIDUMEYSA-N 1 1 342.443 0.875 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1CC ZINC001087640196 746145598 /nfs/dbraw/zinc/14/55/98/746145598.db2.gz OUJDQNFINDLZRK-WDEREUQCSA-N 1 1 327.406 0.696 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)[C@H]1CC ZINC001087673141 746170550 /nfs/dbraw/zinc/17/05/50/746170550.db2.gz XTKRQNFOLHUEJI-ZNMIVQPWSA-N 1 1 343.418 0.945 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1CC ZINC001087673078 746170664 /nfs/dbraw/zinc/17/06/64/746170664.db2.gz VIRFBYYTITWTAW-GXTWGEPZSA-N 1 1 327.388 0.547 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)[nH]c(C4CC4)n3)[C@@H]2C1 ZINC000978319268 746200387 /nfs/dbraw/zinc/20/03/87/746200387.db2.gz VIAVNPMZMNVWKB-ZSOGYDGISA-N 1 1 326.400 0.991 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001001311475 746269064 /nfs/dbraw/zinc/26/90/64/746269064.db2.gz UZAWOHVMGNXADO-INIZCTEOSA-N 1 1 343.431 0.700 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1CC ZINC001087757541 746291205 /nfs/dbraw/zinc/29/12/05/746291205.db2.gz ZXEFHVQZMFZFCY-UONOGXRCSA-N 1 1 334.424 0.334 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001001356528 746303809 /nfs/dbraw/zinc/30/38/09/746303809.db2.gz GIXODGYOMYFQMX-LBPRGKRZSA-N 1 1 329.404 0.416 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1 ZINC000978427384 746310055 /nfs/dbraw/zinc/31/00/55/746310055.db2.gz LJUIZPAMVXWPSV-PHZGNYQRSA-N 1 1 329.400 0.036 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1=CC[N@H+](CC(=O)NC)CC1 ZINC001001379950 746326082 /nfs/dbraw/zinc/32/60/82/746326082.db2.gz ZXENGYDNHQNTIF-UHFFFAOYSA-N 1 1 342.399 0.202 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1=CC[N@@H+](CC(=O)NC)CC1 ZINC001001379950 746326089 /nfs/dbraw/zinc/32/60/89/746326089.db2.gz ZXENGYDNHQNTIF-UHFFFAOYSA-N 1 1 342.399 0.202 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1 ZINC000978439415 746328011 /nfs/dbraw/zinc/32/80/11/746328011.db2.gz RSNGRBLKJQCJTJ-PHZGNYQRSA-N 1 1 329.400 0.644 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001461725 746402260 /nfs/dbraw/zinc/40/22/60/746402260.db2.gz AAQBJOYETNBGQR-OAHLLOKOSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3CCCC)[C@@H]2C1 ZINC000978526821 746406539 /nfs/dbraw/zinc/40/65/39/746406539.db2.gz PLPZNASWLDBRJI-ZJPYXAASSA-N 1 1 333.476 0.805 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nc(C)nn4C3)[C@@H]2C1 ZINC000978530837 746410830 /nfs/dbraw/zinc/41/08/30/746410830.db2.gz RBUBNQHIJAWKRM-YHUYYLMFSA-N 1 1 327.432 0.466 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001001483205 746422248 /nfs/dbraw/zinc/42/22/48/746422248.db2.gz SWLOUGRASBGPNA-LBPRGKRZSA-N 1 1 329.404 0.416 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2nncs2)CC1 ZINC001001492567 746430329 /nfs/dbraw/zinc/43/03/29/746430329.db2.gz SPMAWVCSWJNWHU-HNNXBMFYSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2nncs2)CC1 ZINC001001492567 746430331 /nfs/dbraw/zinc/43/03/31/746430331.db2.gz SPMAWVCSWJNWHU-HNNXBMFYSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3C3CCCC3)[C@@H]2C1 ZINC000978625322 746520459 /nfs/dbraw/zinc/52/04/59/746520459.db2.gz AWPDCFYFWODOGD-AKHDSKFASA-N 1 1 345.487 0.947 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)s1 ZINC000978660974 746549070 /nfs/dbraw/zinc/54/90/70/746549070.db2.gz BRZKWYPACJGPMQ-YIYPIFLZSA-N 1 1 345.428 0.095 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CCn3cncn3)C2)cn1 ZINC001027656684 746599649 /nfs/dbraw/zinc/59/96/49/746599649.db2.gz XDAHBFOPIOENEJ-KRWDZBQOSA-N 1 1 338.415 0.891 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC000978722062 746622915 /nfs/dbraw/zinc/62/29/15/746622915.db2.gz VJOHPSAAKXJAMK-MTSZKFMLSA-N 1 1 347.459 0.494 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087924622 746668770 /nfs/dbraw/zinc/66/87/70/746668770.db2.gz BIXNWJWFPGFHKB-IPYPFGDCSA-N 1 1 329.404 0.544 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000978743221 746669781 /nfs/dbraw/zinc/66/97/81/746669781.db2.gz KTZJNZXEYZMBAD-NFAWXSAZSA-N 1 1 343.431 0.853 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087925558 746670588 /nfs/dbraw/zinc/67/05/88/746670588.db2.gz SQSLMMVGLPZNFZ-KGLIPLIRSA-N 1 1 339.403 0.609 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087925558 746670591 /nfs/dbraw/zinc/67/05/91/746670591.db2.gz SQSLMMVGLPZNFZ-KGLIPLIRSA-N 1 1 339.403 0.609 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087938744 746688791 /nfs/dbraw/zinc/68/87/91/746688791.db2.gz JJERKUAPYAXMBE-TYNCELHUSA-N 1 1 329.404 0.544 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001027670678 746713510 /nfs/dbraw/zinc/71/35/10/746713510.db2.gz LGZWJLAQLQEUTH-CQSZACIVSA-N 1 1 326.404 0.911 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CC(C)(C)O)C[C@@H]3C2)C1=O ZINC001087951056 746719359 /nfs/dbraw/zinc/71/93/59/746719359.db2.gz ZJXWQYSDTUVBGB-PMPSAXMXSA-N 1 1 349.475 0.715 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cccnc4)C[C@H]32)nn1 ZINC000978811263 746732282 /nfs/dbraw/zinc/73/22/82/746732282.db2.gz BDGRGABXDAUCIO-PHZGNYQRSA-N 1 1 338.415 0.967 20 30 ECEDMO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001001813958 746741816 /nfs/dbraw/zinc/74/18/16/746741816.db2.gz ZGRFCHVQQIIUMX-KBXIAJHMSA-N 1 1 335.448 0.777 20 30 ECEDMO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001001813958 746741819 /nfs/dbraw/zinc/74/18/19/746741819.db2.gz ZGRFCHVQQIIUMX-KBXIAJHMSA-N 1 1 335.448 0.777 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001027676664 746746896 /nfs/dbraw/zinc/74/68/96/746746896.db2.gz DHZOCYVDBOGBHF-OAHLLOKOSA-N 1 1 343.493 0.216 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000978829408 746758214 /nfs/dbraw/zinc/75/82/14/746758214.db2.gz GBTUVYSXGRRZNF-BZPMIXESSA-N 1 1 329.404 0.463 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000978840168 746766280 /nfs/dbraw/zinc/76/62/80/746766280.db2.gz MDRLFKRNWHIWBT-LJIZCISZSA-N 1 1 335.448 0.540 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC001027679995 746783159 /nfs/dbraw/zinc/78/31/59/746783159.db2.gz XUNYVCTUMBQYLE-HOCLYGCPSA-N 1 1 345.447 0.743 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC001027679996 746783409 /nfs/dbraw/zinc/78/34/09/746783409.db2.gz XUNYVCTUMBQYLE-ZBFHGGJFSA-N 1 1 345.447 0.743 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978895540 746849721 /nfs/dbraw/zinc/84/97/21/746849721.db2.gz CDDNDUULBKJXQY-YHUYYLMFSA-N 1 1 345.447 0.798 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CN=NC3=O)C2)c1 ZINC001007151970 752131067 /nfs/dbraw/zinc/13/10/67/752131067.db2.gz LZKOAZDTTNTHDH-OAHLLOKOSA-N 1 1 340.387 0.636 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@@H]2C1 ZINC001087986462 746919431 /nfs/dbraw/zinc/91/94/31/746919431.db2.gz MIHLAOSBQJOXCH-CABCVRRESA-N 1 1 341.477 0.378 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccn4c(=O)[nH]nc34)[C@@H]2C1 ZINC000978943645 746926463 /nfs/dbraw/zinc/92/64/63/746926463.db2.gz WGUKAUUTIQNFDW-ZSOGYDGISA-N 1 1 327.388 0.919 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000978953670 746948347 /nfs/dbraw/zinc/94/83/47/746948347.db2.gz PJBPFQNRCHFNAE-IMJJTQAJSA-N 1 1 343.431 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000978953670 746948351 /nfs/dbraw/zinc/94/83/51/746948351.db2.gz PJBPFQNRCHFNAE-IMJJTQAJSA-N 1 1 343.431 0.061 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2coc(C)n2)C1 ZINC000978953822 746949043 /nfs/dbraw/zinc/94/90/43/746949043.db2.gz RWSZICNAJMRKJN-LZWOXQAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2coc(C)n2)C1 ZINC000978953822 746949049 /nfs/dbraw/zinc/94/90/49/746949049.db2.gz RWSZICNAJMRKJN-LZWOXQAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000978954766 746950781 /nfs/dbraw/zinc/95/07/81/746950781.db2.gz YQOAUPOWITUPKF-FZKCQIBNSA-N 1 1 329.444 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC000978954766 746950788 /nfs/dbraw/zinc/95/07/88/746950788.db2.gz YQOAUPOWITUPKF-FZKCQIBNSA-N 1 1 329.444 0.895 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c([nH]c3=O)CCOC4)[C@@H]2C1 ZINC000978955793 746952055 /nfs/dbraw/zinc/95/20/55/746952055.db2.gz DGWBNLKEHMHVKI-QKDCVEJESA-N 1 1 327.384 0.401 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@@H]2C1 ZINC001087994257 746958047 /nfs/dbraw/zinc/95/80/47/746958047.db2.gz ZBJSKKYZSVKBJC-IXDOHACOSA-N 1 1 331.464 0.780 20 30 ECEDMO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001059445660 746974946 /nfs/dbraw/zinc/97/49/46/746974946.db2.gz ANBDQKWWOLMIFK-PWNZVWSESA-N 1 1 342.403 0.271 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2CCN([C@@H](C)C(N)=O)CC2)CC1 ZINC001002144067 747023477 /nfs/dbraw/zinc/02/34/77/747023477.db2.gz DKBYZLKXRYFXDL-AWEZNQCLSA-N 1 1 334.464 0.034 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC000979013849 747032669 /nfs/dbraw/zinc/03/26/69/747032669.db2.gz GJVHTUUMHUTAOL-FJIDUMEYSA-N 1 1 337.423 0.611 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2[nH]cnc2C)C1 ZINC000979012015 747045353 /nfs/dbraw/zinc/04/53/53/747045353.db2.gz HHAUEOSGCWPBDU-ZNMIVQPWSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2[nH]cnc2C)C1 ZINC000979012015 747045358 /nfs/dbraw/zinc/04/53/58/747045358.db2.gz HHAUEOSGCWPBDU-ZNMIVQPWSA-N 1 1 343.431 0.440 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]2C1 ZINC001088013221 747060533 /nfs/dbraw/zinc/06/05/33/747060533.db2.gz VYUHQGWQICUVBO-CVEARBPZSA-N 1 1 340.427 0.527 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C[C@H]3CCc4ncnn43)C2)c[nH]1 ZINC001007164844 752147431 /nfs/dbraw/zinc/14/74/31/752147431.db2.gz POHIVPKYXIPJOF-DZGCQCFKSA-N 1 1 339.403 0.860 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccon1 ZINC001002213529 747089891 /nfs/dbraw/zinc/08/98/91/747089891.db2.gz OZFFFJXXTBUSNE-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccon1 ZINC001002213529 747089896 /nfs/dbraw/zinc/08/98/96/747089896.db2.gz OZFFFJXXTBUSNE-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC001002254216 747129599 /nfs/dbraw/zinc/12/95/99/747129599.db2.gz RZUAVDONMDRANO-GOEBONIOSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nncn4CC3)C[C@@H]2C1 ZINC001088045640 747140402 /nfs/dbraw/zinc/14/04/02/747140402.db2.gz DZRQSHKJCAAARO-OAGGEKHMSA-N 1 1 327.432 0.644 20 30 ECEDMO N#CCN1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047333 747144649 /nfs/dbraw/zinc/14/46/49/747144649.db2.gz SETMDEYXAHCBCD-OWQJAQGESA-N 1 1 330.432 0.153 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088053621 747156640 /nfs/dbraw/zinc/15/66/40/747156640.db2.gz RFIXVHXPWWHWEB-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088053621 747156647 /nfs/dbraw/zinc/15/66/47/747156647.db2.gz RFIXVHXPWWHWEB-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](OC)c3cnn(C)c3)C[C@@H]2C1 ZINC001088053689 747162127 /nfs/dbraw/zinc/16/21/27/747162127.db2.gz VBPMDCIYRDYDDP-HYVNUMGLSA-N 1 1 330.432 0.911 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cnco4)C[C@@H]3C2)C1=O ZINC001088058383 747166974 /nfs/dbraw/zinc/16/69/74/747166974.db2.gz VWAQKYZCFNEPRJ-QLFBSQMISA-N 1 1 344.415 0.855 20 30 ECEDMO O=C(Cn1nccn1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075836455 747297140 /nfs/dbraw/zinc/29/71/40/747297140.db2.gz ORADPPDPZGMKEU-ZWKOTPCHSA-N 1 1 335.411 0.863 20 30 ECEDMO O=C(Cn1nccn1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075836455 747297142 /nfs/dbraw/zinc/29/71/42/747297142.db2.gz ORADPPDPZGMKEU-ZWKOTPCHSA-N 1 1 335.411 0.863 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cocn2)[C@@H]1CC ZINC000985047262 747300121 /nfs/dbraw/zinc/30/01/21/747300121.db2.gz IEWFUHMTCKJKNA-IMJJTQAJSA-N 1 1 344.415 0.882 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cocn2)[C@@H]1CC ZINC000985047262 747300128 /nfs/dbraw/zinc/30/01/28/747300128.db2.gz IEWFUHMTCKJKNA-IMJJTQAJSA-N 1 1 344.415 0.882 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)c1 ZINC001088099343 747382448 /nfs/dbraw/zinc/38/24/48/747382448.db2.gz FQYKSIRXSMZQIJ-PVAVHDDUSA-N 1 1 338.411 0.345 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001002473686 747402750 /nfs/dbraw/zinc/40/27/50/747402750.db2.gz DUXNKJIMZKRCFW-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001002476441 747406592 /nfs/dbraw/zinc/40/65/92/747406592.db2.gz NHTLMMSSRIGHMA-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n(C)c3=O)C[C@@H]2C1 ZINC001088128123 747448752 /nfs/dbraw/zinc/44/87/52/747448752.db2.gz ZSXUKTRBRRNTSA-KGLIPLIRSA-N 1 1 346.431 0.054 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC001002515009 747454157 /nfs/dbraw/zinc/45/41/57/747454157.db2.gz FRZPYYAVTWVEAF-CABCVRRESA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@H]([NH2+]Cc1ncnn1C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979266818 747468636 /nfs/dbraw/zinc/46/86/36/747468636.db2.gz IQLSRPBBMIXCPU-SMDDNHRTSA-N 1 1 343.391 0.034 20 30 ECEDMO Cc1nnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)[nH]1 ZINC000979291856 747525545 /nfs/dbraw/zinc/52/55/45/747525545.db2.gz KQOAVOCWTZDUPK-QMTHXVAHSA-N 1 1 343.391 0.332 20 30 ECEDMO C[C@H]([NH2+]Cc1nncn1C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979288380 747541011 /nfs/dbraw/zinc/54/10/11/747541011.db2.gz FQDVYWVAXUBJRD-SMDDNHRTSA-N 1 1 343.391 0.034 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088155042 747547990 /nfs/dbraw/zinc/54/79/90/747547990.db2.gz SPYCEDRVNRPDSX-XHSDSOJGSA-N 1 1 345.447 0.895 20 30 ECEDMO C[C@H]([NH2+]Cc1nncs1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979298065 747566430 /nfs/dbraw/zinc/56/64/30/747566430.db2.gz WJBXEUPZHQVFQS-GWCFXTLKSA-N 1 1 346.416 0.757 20 30 ECEDMO O=C(CN1CCOCC1)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001002626719 747588840 /nfs/dbraw/zinc/58/88/40/747588840.db2.gz NKOOXRUSUDUCSL-UHFFFAOYSA-N 1 1 341.455 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000979317963 747631119 /nfs/dbraw/zinc/63/11/19/747631119.db2.gz DTRDEBORCXUJRK-NRKLIOEPSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000979317963 747631123 /nfs/dbraw/zinc/63/11/23/747631123.db2.gz DTRDEBORCXUJRK-NRKLIOEPSA-N 1 1 347.459 0.520 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)NC)CC[C@@H]3C2)cn1 ZINC001088175430 747677645 /nfs/dbraw/zinc/67/76/45/747677645.db2.gz VZYAKQVCAVATCS-BMFZPTHFSA-N 1 1 340.427 0.591 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)cn1 ZINC001088175438 747677769 /nfs/dbraw/zinc/67/77/69/747677769.db2.gz WJHVFAPUHWASOC-CVEARBPZSA-N 1 1 340.427 0.545 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](CC)C(N)=O)CC[C@@H]3C2)nc1 ZINC001088175150 747678011 /nfs/dbraw/zinc/67/80/11/747678011.db2.gz HIDBFGPDVXUVNY-VYDXJSESSA-N 1 1 340.427 0.721 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C(N)=O)cc3)C[C@@H]2C1 ZINC001088206011 747739049 /nfs/dbraw/zinc/73/90/49/747739049.db2.gz YQAIXSFWNYKZHU-CVEARBPZSA-N 1 1 341.411 0.578 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)CCN2CCCS2(=O)=O)CC1 ZINC000985339821 747750601 /nfs/dbraw/zinc/75/06/01/747750601.db2.gz ZZSHJWUZTXCUAN-ZDUSSCGKSA-N 1 1 342.465 0.104 20 30 ECEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985341884 747750754 /nfs/dbraw/zinc/75/07/54/747750754.db2.gz KCUGGAKTFUJVJH-UHFFFAOYSA-N 1 1 344.415 0.887 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)c2cnc(C#N)cn2)C1 ZINC001112181164 747767745 /nfs/dbraw/zinc/76/77/45/747767745.db2.gz FROWYKJKXNTDOU-CQSZACIVSA-N 1 1 330.436 0.975 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)c1 ZINC001027791996 747769082 /nfs/dbraw/zinc/76/90/82/747769082.db2.gz GYEQJIKCMOHNSE-HZPDHXFCSA-N 1 1 326.400 0.917 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 ZINC001088230875 747784205 /nfs/dbraw/zinc/78/42/05/747784205.db2.gz BKTIHPOLTVJPGS-QZTJIDSGSA-N 1 1 349.475 0.280 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001088232902 747789201 /nfs/dbraw/zinc/78/92/01/747789201.db2.gz CCBCXBNGTDJXLR-MRXNPFEDSA-N 1 1 345.447 0.782 20 30 ECEDMO CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC#CCOC)C1 ZINC001112182208 747800266 /nfs/dbraw/zinc/80/02/66/747800266.db2.gz UUHYJDRSHVHLIX-ZIAGYGMSSA-N 1 1 349.397 0.957 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cncn3C)CC2)C1 ZINC001088234775 747805136 /nfs/dbraw/zinc/80/51/36/747805136.db2.gz BKBHCNLQQDZEAP-INIZCTEOSA-N 1 1 330.432 0.996 20 30 ECEDMO Cn1ncc(C[N@H+](C)C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC000985362418 747807786 /nfs/dbraw/zinc/80/77/86/747807786.db2.gz PGURRUYRTOTSGB-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC000985362418 747807795 /nfs/dbraw/zinc/80/77/95/747807795.db2.gz PGURRUYRTOTSGB-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001088237649 747847162 /nfs/dbraw/zinc/84/71/62/747847162.db2.gz ZLCBEXDFDXBABL-HZPDHXFCSA-N 1 1 348.447 0.021 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001002830510 747848097 /nfs/dbraw/zinc/84/80/97/747848097.db2.gz VDLYJONIEYGGHC-HNNXBMFYSA-N 1 1 342.399 0.073 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001002830510 747848102 /nfs/dbraw/zinc/84/81/02/747848102.db2.gz VDLYJONIEYGGHC-HNNXBMFYSA-N 1 1 342.399 0.073 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2cc(C)on2)C1 ZINC001002830923 747849395 /nfs/dbraw/zinc/84/93/95/747849395.db2.gz YWPMIZQXQJEZRZ-INIZCTEOSA-N 1 1 344.415 0.198 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2cc(C)on2)C1 ZINC001002830923 747849405 /nfs/dbraw/zinc/84/94/05/747849405.db2.gz YWPMIZQXQJEZRZ-INIZCTEOSA-N 1 1 344.415 0.198 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nccnc2N)C1=O ZINC001027800683 747867188 /nfs/dbraw/zinc/86/71/88/747867188.db2.gz YHZKTJABFFOKQX-OLZOCXBDSA-N 1 1 344.419 0.040 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nccnc2N)C1=O ZINC001027800683 747867196 /nfs/dbraw/zinc/86/71/96/747867196.db2.gz YHZKTJABFFOKQX-OLZOCXBDSA-N 1 1 344.419 0.040 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001002844702 747869745 /nfs/dbraw/zinc/86/97/45/747869745.db2.gz CDRBLPBSSRJRQU-IKGGRYGDSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001002844702 747869753 /nfs/dbraw/zinc/86/97/53/747869753.db2.gz CDRBLPBSSRJRQU-IKGGRYGDSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001002850734 747875014 /nfs/dbraw/zinc/87/50/14/747875014.db2.gz AMRAZAFPLURYFB-OIISXLGYSA-N 1 1 348.491 0.694 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001002850734 747875023 /nfs/dbraw/zinc/87/50/23/747875023.db2.gz AMRAZAFPLURYFB-OIISXLGYSA-N 1 1 348.491 0.694 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001002850734 747875034 /nfs/dbraw/zinc/87/50/34/747875034.db2.gz AMRAZAFPLURYFB-OIISXLGYSA-N 1 1 348.491 0.694 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000988501969 752220342 /nfs/dbraw/zinc/22/03/42/752220342.db2.gz OLZBDRIOSVLSAL-YPMHNXCESA-N 1 1 345.382 0.840 20 30 ECEDMO Cn1[nH]c(C[N@@H+](C)C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)nc1=O ZINC000985392328 747886011 /nfs/dbraw/zinc/88/60/11/747886011.db2.gz UPNKGEJOHWRQGU-UHFFFAOYSA-N 1 1 343.391 0.045 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ocnc2C)C1=O ZINC001027807073 747941942 /nfs/dbraw/zinc/94/19/42/747941942.db2.gz BNBSDCPZDQJIBB-KGLIPLIRSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ocnc2C)C1=O ZINC001027807073 747941946 /nfs/dbraw/zinc/94/19/46/747941946.db2.gz BNBSDCPZDQJIBB-KGLIPLIRSA-N 1 1 332.404 0.964 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN(C)CCN1C)N1CCC(OCC2CC2)CC1 ZINC000261690367 752229824 /nfs/dbraw/zinc/22/98/24/752229824.db2.gz FBYRGFOAFLFWLK-INIZCTEOSA-N 1 1 337.512 0.699 20 30 ECEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029684490 748056534 /nfs/dbraw/zinc/05/65/34/748056534.db2.gz WGDXWDHUXPYZOX-GFCCVEGCSA-N 1 1 332.379 0.853 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001003037633 748105754 /nfs/dbraw/zinc/10/57/54/748105754.db2.gz ZGDXULFQWXKTAF-HNNXBMFYSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+](C[C@H]1CCS(=O)(=O)C1)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029733525 748175999 /nfs/dbraw/zinc/17/59/99/748175999.db2.gz LOYADCBZTPAJIN-HZPDHXFCSA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(C)=O)CC12CCOCC2 ZINC001020842300 752248745 /nfs/dbraw/zinc/24/87/45/752248745.db2.gz DRHGZCJQIMISGR-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(C)=O)CC12CCOCC2 ZINC001020842300 752248749 /nfs/dbraw/zinc/24/87/49/752248749.db2.gz DRHGZCJQIMISGR-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000979664780 748185353 /nfs/dbraw/zinc/18/53/53/748185353.db2.gz MJSLXQXLGUELDO-ZNEHSRBWSA-N 1 1 343.431 0.851 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1 ZINC001075856960 748243178 /nfs/dbraw/zinc/24/31/78/748243178.db2.gz RWBCEUCRFDLLPK-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@@H]2C1 ZINC000979733770 748344807 /nfs/dbraw/zinc/34/48/07/748344807.db2.gz UFDNHAGDSULUMU-MJBXVCDLSA-N 1 1 346.435 0.170 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)Cn2nnc(-c3ccco3)n2)CC1 ZINC000985519186 748384146 /nfs/dbraw/zinc/38/41/46/748384146.db2.gz QSFVWEIAKIRMKR-UHFFFAOYSA-N 1 1 328.376 0.489 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000979774541 748401519 /nfs/dbraw/zinc/40/15/19/748401519.db2.gz JAZMLSXCIGQNOZ-MRVWCRGKSA-N 1 1 329.404 0.463 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)cc1 ZINC001029797859 748456866 /nfs/dbraw/zinc/45/68/66/748456866.db2.gz CJMHGRYWKYXVDX-RDJZCZTQSA-N 1 1 325.412 0.950 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccc(C#N)s3)C2)n1 ZINC001029806939 748505669 /nfs/dbraw/zinc/50/56/69/748505669.db2.gz URJFJQAQLWQIQO-NSHDSACASA-N 1 1 345.432 0.737 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001007314535 752282021 /nfs/dbraw/zinc/28/20/21/752282021.db2.gz CDYNJRBPOKYKQL-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001007314535 752282024 /nfs/dbraw/zinc/28/20/24/752282024.db2.gz CDYNJRBPOKYKQL-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC001003471482 748588982 /nfs/dbraw/zinc/58/89/82/748588982.db2.gz JRUYKOCBEHXRCX-GUYCJALGSA-N 1 1 340.427 0.449 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)[C@@H]1CNC(=O)N1 ZINC001003533190 748651954 /nfs/dbraw/zinc/65/19/54/748651954.db2.gz OWNSKUXVZVOKRK-INIZCTEOSA-N 1 1 344.390 0.439 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC000982478112 752293988 /nfs/dbraw/zinc/29/39/88/752293988.db2.gz HWTCLNPEADZOSQ-CQSZACIVSA-N 1 1 343.431 0.333 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CC[NH+](CC(=O)N3CCC3)CC2)c1 ZINC001003593596 748709951 /nfs/dbraw/zinc/70/99/51/748709951.db2.gz ABGRPDMAXXSKMU-UHFFFAOYSA-N 1 1 326.400 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000979966534 748735465 /nfs/dbraw/zinc/73/54/65/748735465.db2.gz ACOOMGFVXHYIQD-QAETUUGQSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000979966534 748735469 /nfs/dbraw/zinc/73/54/69/748735469.db2.gz ACOOMGFVXHYIQD-QAETUUGQSA-N 1 1 347.459 0.522 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)C1=O ZINC001003628976 748742153 /nfs/dbraw/zinc/74/21/53/748742153.db2.gz VRXBOWIDRICGGN-WBVHZDCISA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1=O ZINC001003628976 748742158 /nfs/dbraw/zinc/74/21/58/748742158.db2.gz VRXBOWIDRICGGN-WBVHZDCISA-N 1 1 348.491 0.838 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001098728935 748743290 /nfs/dbraw/zinc/74/32/90/748743290.db2.gz WTEBBYMLHXBTFY-HOCLYGCPSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000979967613 748759877 /nfs/dbraw/zinc/75/98/77/748759877.db2.gz NDUPFJJLRPRAJE-XUXIUFHCSA-N 1 1 339.386 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000979967613 748759881 /nfs/dbraw/zinc/75/98/81/748759881.db2.gz NDUPFJJLRPRAJE-XUXIUFHCSA-N 1 1 339.386 0.750 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cnnn2C)C1 ZINC001029846707 748774379 /nfs/dbraw/zinc/77/43/79/748774379.db2.gz JQTCGLPDXSWWQO-BMFZPTHFSA-N 1 1 333.436 0.687 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn[nH]c1 ZINC001003675174 748783510 /nfs/dbraw/zinc/78/35/10/748783510.db2.gz QIYYGOWIUIXQBR-WCVJEAGWSA-N 1 1 341.415 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn[nH]c1 ZINC001003675174 748783512 /nfs/dbraw/zinc/78/35/12/748783512.db2.gz QIYYGOWIUIXQBR-WCVJEAGWSA-N 1 1 341.415 0.369 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)ccc1F ZINC001027860781 748816594 /nfs/dbraw/zinc/81/65/94/748816594.db2.gz LCVSUSMGDZHHBJ-ZFWWWQNUSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)ccc1F ZINC001027860781 748816602 /nfs/dbraw/zinc/81/66/02/748816602.db2.gz LCVSUSMGDZHHBJ-ZFWWWQNUSA-N 1 1 346.362 0.886 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001059625540 748883122 /nfs/dbraw/zinc/88/31/22/748883122.db2.gz BMPAJSFISXHIRD-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001059625540 748883130 /nfs/dbraw/zinc/88/31/30/748883130.db2.gz BMPAJSFISXHIRD-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000985703630 748897293 /nfs/dbraw/zinc/89/72/93/748897293.db2.gz LIYFTBSBPFJLCS-UHFFFAOYSA-N 1 1 327.812 0.715 20 30 ECEDMO C#Cc1ccc(C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC)cc1 ZINC001058818032 748911850 /nfs/dbraw/zinc/91/18/50/748911850.db2.gz ZVWAZWZFTSJGGR-UHFFFAOYSA-N 1 1 345.443 0.560 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1nc(N(C)C)no1 ZINC001168101256 748962956 /nfs/dbraw/zinc/96/29/56/748962956.db2.gz PPXMHRHXPSXKFL-JSGCOSHPSA-N 1 1 337.424 0.713 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027879563 748979830 /nfs/dbraw/zinc/97/98/30/748979830.db2.gz UUFNJDXETZQSGZ-KGLIPLIRSA-N 1 1 331.420 0.919 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC000980155540 749081494 /nfs/dbraw/zinc/08/14/94/749081494.db2.gz FJIWWUHYOLQKFA-IHRRRGAJSA-N 1 1 332.404 0.352 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)C3CC3)CC2)cn1 ZINC001003987923 749111171 /nfs/dbraw/zinc/11/11/71/749111171.db2.gz RWIYUXJYNVZALN-UHFFFAOYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nnnc3C(C)C)C[C@@H]2C1 ZINC000980181356 749117863 /nfs/dbraw/zinc/11/78/63/749117863.db2.gz DAKCVESSBJBECJ-RRFJBIMHSA-N 1 1 330.436 0.646 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCOC)C[C@H]3C2)nn1 ZINC000980192789 749126643 /nfs/dbraw/zinc/12/66/43/749126643.db2.gz VIXLYSCVZGNCJP-RBSFLKMASA-N 1 1 333.436 0.941 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 ZINC000980192952 749126652 /nfs/dbraw/zinc/12/66/52/749126652.db2.gz KFFOYIZTZMVCBQ-MJBXVCDLSA-N 1 1 334.420 0.331 20 30 ECEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@@H]3C2)ccc1F ZINC000980187911 749141409 /nfs/dbraw/zinc/14/14/09/749141409.db2.gz UTUZGKRYPJWVLI-CFVMTHIKSA-N 1 1 344.390 0.899 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(=O)NC)C[C@H]3C2)cn1 ZINC000980206278 749182744 /nfs/dbraw/zinc/18/27/44/749182744.db2.gz DKFZQFYZLPUZGY-ZMSDIMECSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C[C@@H]3C[C@H]3C)CC2)CC1 ZINC000985826833 749186517 /nfs/dbraw/zinc/18/65/17/749186517.db2.gz GIHOYLXYEGDNBQ-SJORKVTESA-N 1 1 346.475 0.938 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]3C2)C1 ZINC000985870955 749235050 /nfs/dbraw/zinc/23/50/50/749235050.db2.gz HJXCHKNFDMNDLW-IKGGRYGDSA-N 1 1 345.443 0.037 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]3C2)C1 ZINC000985870955 749235054 /nfs/dbraw/zinc/23/50/54/749235054.db2.gz HJXCHKNFDMNDLW-IKGGRYGDSA-N 1 1 345.443 0.037 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC000980248603 749237906 /nfs/dbraw/zinc/23/79/06/749237906.db2.gz UUBIENLCPLGJJE-MELADBBJSA-N 1 1 334.420 0.331 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ncccn3)C2)C1=O ZINC001029872873 749248536 /nfs/dbraw/zinc/24/85/36/749248536.db2.gz WNWDTFBJJRYQSI-CABCVRRESA-N 1 1 343.431 0.657 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC000980250187 749256053 /nfs/dbraw/zinc/25/60/53/749256053.db2.gz ZCTZBCXJTPQMFO-BFHYXJOUSA-N 1 1 343.431 0.982 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC000980253332 749259840 /nfs/dbraw/zinc/25/98/40/749259840.db2.gz NKXWENNJHRYFBK-IHRRRGAJSA-N 1 1 344.415 0.340 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001004202326 749309221 /nfs/dbraw/zinc/30/92/21/749309221.db2.gz VHFPWTXXIQXRBB-KRWDZBQOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001059679636 749409012 /nfs/dbraw/zinc/40/90/12/749409012.db2.gz NNEHOCTZHJVIIE-MRXNPFEDSA-N 1 1 346.431 0.586 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1 ZINC000986080565 749490480 /nfs/dbraw/zinc/49/04/80/749490480.db2.gz SAOQGXHVZXLTFI-IKGGRYGDSA-N 1 1 345.443 0.037 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1 ZINC000986080565 749490485 /nfs/dbraw/zinc/49/04/85/749490485.db2.gz SAOQGXHVZXLTFI-IKGGRYGDSA-N 1 1 345.443 0.037 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1CN(C(=O)C#CC3CC3)C1)C2 ZINC001004443333 749504068 /nfs/dbraw/zinc/50/40/68/749504068.db2.gz OYENFZRMDNOUOK-MRXNPFEDSA-N 1 1 340.427 0.742 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001004473052 749541991 /nfs/dbraw/zinc/54/19/91/749541991.db2.gz JZVCDGHPJQMESJ-INIZCTEOSA-N 1 1 347.463 0.861 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001004523008 749594492 /nfs/dbraw/zinc/59/44/92/749594492.db2.gz ABXXXFDPYCKUBE-LLLHUVSDSA-N 1 1 349.475 0.882 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)n1C ZINC000986135966 749607276 /nfs/dbraw/zinc/60/72/76/749607276.db2.gz RBGCJPLWVDQCQG-YPMHNXCESA-N 1 1 341.419 0.970 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004619952 749696745 /nfs/dbraw/zinc/69/67/45/749696745.db2.gz DSMPPCTVIVEQEV-CABCVRRESA-N 1 1 339.461 0.014 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3nonc3C)C2)C1=O ZINC000980543655 749751097 /nfs/dbraw/zinc/75/10/97/749751097.db2.gz LUDFLFMGMBATMO-STQMWFEESA-N 1 1 333.392 0.311 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1=O ZINC000980666193 749944290 /nfs/dbraw/zinc/94/42/90/749944290.db2.gz YARURXZRPADOGM-AWEZNQCLSA-N 1 1 345.403 0.117 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1=O ZINC000980666193 749944297 /nfs/dbraw/zinc/94/42/97/749944297.db2.gz YARURXZRPADOGM-AWEZNQCLSA-N 1 1 345.403 0.117 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)[C@@H]1CCNC1=O ZINC001029953009 750057202 /nfs/dbraw/zinc/05/72/02/750057202.db2.gz NOZGQROZTRQCJK-OAHLLOKOSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1)[C@H]1CCNC1=O ZINC001029958128 750080825 /nfs/dbraw/zinc/08/08/25/750080825.db2.gz KJXPKUVGYXXCJB-HNNXBMFYSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H](C)n3cccn3)CC2)C1=O ZINC000980747852 750081160 /nfs/dbraw/zinc/08/11/60/750081160.db2.gz AHOFRLGLUMLVAA-JKSUJKDBSA-N 1 1 345.447 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H](C)n3cccn3)CC2)C1=O ZINC000980747852 750081165 /nfs/dbraw/zinc/08/11/65/750081165.db2.gz AHOFRLGLUMLVAA-JKSUJKDBSA-N 1 1 345.447 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[C@@H]3CCCO3)CC2)C1=O ZINC000980757616 750096564 /nfs/dbraw/zinc/09/65/64/750096564.db2.gz YAEAOVOKEFFDOV-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[C@@H]3CCCO3)CC2)C1=O ZINC000980757616 750096569 /nfs/dbraw/zinc/09/65/69/750096569.db2.gz YAEAOVOKEFFDOV-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001058848082 750123943 /nfs/dbraw/zinc/12/39/43/750123943.db2.gz ZSWUHJOOELBELF-AWEZNQCLSA-N 1 1 337.464 0.622 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001028009447 750346043 /nfs/dbraw/zinc/34/60/43/750346043.db2.gz KZTAYHPTBIKQSM-GFCCVEGCSA-N 1 1 330.413 0.974 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CCNC(=O)CC3)CC2)[nH]1 ZINC000980990678 750424230 /nfs/dbraw/zinc/42/42/30/750424230.db2.gz BELCYWGWQMOGRA-CQSZACIVSA-N 1 1 343.431 0.951 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)c(F)c1 ZINC001028073192 750489336 /nfs/dbraw/zinc/48/93/36/750489336.db2.gz RSFGBBBAIACAGD-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)c(F)c1 ZINC001028073192 750489342 /nfs/dbraw/zinc/48/93/42/750489342.db2.gz RSFGBBBAIACAGD-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO CN(CCN(C)c1cccc(F)c1C#N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001105355714 750526714 /nfs/dbraw/zinc/52/67/14/750526714.db2.gz YGSHHOJHKATMDP-MRXNPFEDSA-N 1 1 334.395 0.923 20 30 ECEDMO CN(CCN(C)c1cccc(F)c1C#N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001105355714 750526715 /nfs/dbraw/zinc/52/67/15/750526715.db2.gz YGSHHOJHKATMDP-MRXNPFEDSA-N 1 1 334.395 0.923 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nonc3C)[C@@H]2C)nn1 ZINC000987132902 750526841 /nfs/dbraw/zinc/52/68/41/750526841.db2.gz IZUWUPUYPRMFOQ-NWDGAFQWSA-N 1 1 331.380 0.548 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC)[C@@H]2C)nn1 ZINC000987133441 750528626 /nfs/dbraw/zinc/52/86/26/750528626.db2.gz KUGGARJPELGOMH-STQMWFEESA-N 1 1 344.423 0.468 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccoc2)C1 ZINC001005694639 750532596 /nfs/dbraw/zinc/53/25/96/750532596.db2.gz ROZXEBJZTOBBGN-BBRMVZONSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccoc2)C1 ZINC001005694639 750532597 /nfs/dbraw/zinc/53/25/97/750532597.db2.gz ROZXEBJZTOBBGN-BBRMVZONSA-N 1 1 329.400 0.954 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000981282622 750541759 /nfs/dbraw/zinc/54/17/59/750541759.db2.gz GIKTVRNRRSTBHL-UHFFFAOYSA-N 1 1 334.420 0.048 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2c(C)cnn2C)C1=O ZINC001028083140 750594432 /nfs/dbraw/zinc/59/44/32/750594432.db2.gz QBPQOLFXJAVSKD-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c(C)cnn2C)C1=O ZINC001028083140 750594434 /nfs/dbraw/zinc/59/44/34/750594434.db2.gz QBPQOLFXJAVSKD-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088550055 750637838 /nfs/dbraw/zinc/63/78/38/750637838.db2.gz NEVLILYSUMZLDI-VNQPRFMTSA-N 1 1 327.384 0.726 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088550055 750637843 /nfs/dbraw/zinc/63/78/43/750637843.db2.gz NEVLILYSUMZLDI-VNQPRFMTSA-N 1 1 327.384 0.726 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001005941569 750824526 /nfs/dbraw/zinc/82/45/26/750824526.db2.gz BDEKVOYHWUWTKI-CHWSQXEVSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001005947953 750833929 /nfs/dbraw/zinc/83/39/29/750833929.db2.gz SSADRBSVBXZWMG-STQMWFEESA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000987447701 750848263 /nfs/dbraw/zinc/84/82/63/750848263.db2.gz DXKLNKBXOLINMB-BYCMXARLSA-N 1 1 329.404 0.700 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CC[NH+](Cc3cnnn3C)CC2)c1 ZINC001005967917 750863525 /nfs/dbraw/zinc/86/35/25/750863525.db2.gz GTZPTYGVLFRRBY-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@H]1CNC(=O)N1 ZINC001028111951 750917000 /nfs/dbraw/zinc/91/70/00/750917000.db2.gz ZLXCHZBTEBMQMS-JKSUJKDBSA-N 1 1 326.400 0.300 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@H]1CNC(=O)N1 ZINC001028111951 750917002 /nfs/dbraw/zinc/91/70/02/750917002.db2.gz ZLXCHZBTEBMQMS-JKSUJKDBSA-N 1 1 326.400 0.300 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](OC)C(F)(F)F)C2)nn1 ZINC001105357629 750938052 /nfs/dbraw/zinc/93/80/52/750938052.db2.gz HOCGRTFEIDADAK-LBPRGKRZSA-N 1 1 347.341 0.904 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N1CCO[C@@H](C)C1)C2 ZINC000981669467 750948671 /nfs/dbraw/zinc/94/86/71/750948671.db2.gz NGTMTOSLBOQLFP-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)N1CCO[C@@H](C)C1)C2 ZINC000981669467 750948672 /nfs/dbraw/zinc/94/86/72/750948672.db2.gz NGTMTOSLBOQLFP-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](O)CN1CCCC1=O)C2 ZINC000981672368 750952900 /nfs/dbraw/zinc/95/29/00/750952900.db2.gz RKDSXJHJEQVTPA-CABCVRRESA-N 1 1 348.447 0.054 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3nccn3C)[C@H]2C)CC1 ZINC000987574153 750976011 /nfs/dbraw/zinc/97/60/11/750976011.db2.gz DUEKPJQUGXBPNI-WBVHZDCISA-N 1 1 343.475 0.844 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000981693379 750978077 /nfs/dbraw/zinc/97/80/77/750978077.db2.gz OJFUSYHVVRMQLA-AWEZNQCLSA-N 1 1 329.391 0.510 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC000981713261 750992411 /nfs/dbraw/zinc/99/24/11/750992411.db2.gz ILWNQWORHKWQSH-UHFFFAOYSA-N 1 1 332.404 0.686 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC000981713261 750992414 /nfs/dbraw/zinc/99/24/14/750992414.db2.gz ILWNQWORHKWQSH-UHFFFAOYSA-N 1 1 332.404 0.686 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000981725159 751013260 /nfs/dbraw/zinc/01/32/60/751013260.db2.gz KNRNPPBTSRZTCL-UHFFFAOYSA-N 1 1 325.800 0.661 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000981725159 751013267 /nfs/dbraw/zinc/01/32/67/751013267.db2.gz KNRNPPBTSRZTCL-UHFFFAOYSA-N 1 1 325.800 0.661 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC000981726751 751019007 /nfs/dbraw/zinc/01/90/07/751019007.db2.gz YGYDVHWXAZMYKH-AWEZNQCLSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC000981726751 751019016 /nfs/dbraw/zinc/01/90/16/751019016.db2.gz YGYDVHWXAZMYKH-AWEZNQCLSA-N 1 1 327.856 0.994 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)C1 ZINC000987620137 751040921 /nfs/dbraw/zinc/04/09/21/751040921.db2.gz DUJGRKQSPZYSIX-NFAWXSAZSA-N 1 1 343.431 0.947 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001006126082 751046633 /nfs/dbraw/zinc/04/66/33/751046633.db2.gz MUKIGZKHJFIFBD-DZGCQCFKSA-N 1 1 340.427 0.591 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)C1=O ZINC000981761794 751072750 /nfs/dbraw/zinc/07/27/50/751072750.db2.gz RRUDTZUAFJMHGT-MRXNPFEDSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnco2)C1 ZINC000981801073 751116843 /nfs/dbraw/zinc/11/68/43/751116843.db2.gz JTERSNQBPCTPLX-ZNMIVQPWSA-N 1 1 344.415 0.787 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnco2)C1 ZINC000981801073 751116847 /nfs/dbraw/zinc/11/68/47/751116847.db2.gz JTERSNQBPCTPLX-ZNMIVQPWSA-N 1 1 344.415 0.787 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCCN(C)C2=O)c1 ZINC001028125978 751124921 /nfs/dbraw/zinc/12/49/21/751124921.db2.gz BZTCCYZLJRRHGD-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)NC)C2 ZINC000981813190 751134283 /nfs/dbraw/zinc/13/42/83/751134283.db2.gz GHLPWQKPURNPTG-UHFFFAOYSA-N 1 1 330.432 0.958 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC2(C1)CCC[N@H+](CC(=O)NC)C2 ZINC000981813190 751134287 /nfs/dbraw/zinc/13/42/87/751134287.db2.gz GHLPWQKPURNPTG-UHFFFAOYSA-N 1 1 330.432 0.958 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)NC2CC2)c1 ZINC001028129725 751150151 /nfs/dbraw/zinc/15/01/51/751150151.db2.gz UWIYDIVQQUXKCH-CXAGYDPISA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2CC2)c1 ZINC001028129725 751150155 /nfs/dbraw/zinc/15/01/55/751150155.db2.gz UWIYDIVQQUXKCH-CXAGYDPISA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CN(C(=O)c3ccn[nH]3)C2)CC1 ZINC001006242949 751151122 /nfs/dbraw/zinc/15/11/22/751151122.db2.gz KRZFSCWHJGBVLN-CYBMUJFWSA-N 1 1 343.431 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2ccon2)C1 ZINC000987786425 751200810 /nfs/dbraw/zinc/20/08/10/751200810.db2.gz BASJUHYHEUWGAF-ZBFHGGJFSA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2ccon2)C1 ZINC000987786425 751200815 /nfs/dbraw/zinc/20/08/15/751200815.db2.gz BASJUHYHEUWGAF-ZBFHGGJFSA-N 1 1 344.415 0.693 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N(C)C)CC2)cn1 ZINC001006312164 751230233 /nfs/dbraw/zinc/23/02/33/751230233.db2.gz DUTOXGLKSMQAGU-UHFFFAOYSA-N 1 1 328.416 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2nocc2C)C1 ZINC001006318862 751241090 /nfs/dbraw/zinc/24/10/90/751241090.db2.gz JOVOFMULCKTCBY-HIFRSBDPSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2nocc2C)C1 ZINC001006318862 751241095 /nfs/dbraw/zinc/24/10/95/751241095.db2.gz JOVOFMULCKTCBY-HIFRSBDPSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cnn(C)c2)C1 ZINC001006319768 751242593 /nfs/dbraw/zinc/24/25/93/751242593.db2.gz NHWRUXLDYFNRFO-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cnn(C)c2)C1 ZINC001006319768 751242596 /nfs/dbraw/zinc/24/25/96/751242596.db2.gz NHWRUXLDYFNRFO-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCn3ncn(C)c3=O)C2)C1 ZINC000981914917 751273785 /nfs/dbraw/zinc/27/37/85/751273785.db2.gz UCABKWDDAKNSRE-UHFFFAOYSA-N 1 1 333.436 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1cc(C)ncn1 ZINC001111582625 751306502 /nfs/dbraw/zinc/30/65/02/751306502.db2.gz DOKVGBLUXMXHTC-HNNXBMFYSA-N 1 1 331.420 0.115 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1cc(C)ncn1 ZINC001111582625 751306507 /nfs/dbraw/zinc/30/65/07/751306507.db2.gz DOKVGBLUXMXHTC-HNNXBMFYSA-N 1 1 331.420 0.115 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H](O)C2)C1 ZINC000991611429 762116206 /nfs/dbraw/zinc/11/62/06/762116206.db2.gz JMGPCCOGYKYUEI-LSDHHAIUSA-N 1 1 346.431 0.626 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC ZINC001211994607 752322511 /nfs/dbraw/zinc/32/25/11/752322511.db2.gz FHAOCRKAZMHKRK-RBSFLKMASA-N 1 1 337.424 0.075 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC ZINC001211994607 752322518 /nfs/dbraw/zinc/32/25/18/752322518.db2.gz FHAOCRKAZMHKRK-RBSFLKMASA-N 1 1 337.424 0.075 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC001020921443 752339565 /nfs/dbraw/zinc/33/95/65/752339565.db2.gz GBDFXQPPDRCUBH-MELADBBJSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC001020921443 752339573 /nfs/dbraw/zinc/33/95/73/752339573.db2.gz GBDFXQPPDRCUBH-MELADBBJSA-N 1 1 339.386 0.799 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(C#N)nc1 ZINC001126355287 752382310 /nfs/dbraw/zinc/38/23/10/752382310.db2.gz IXLZYHPMOACWMU-AWEZNQCLSA-N 1 1 331.420 0.474 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2[C@H](CC)C(N)=O)CC1 ZINC001028334054 752413835 /nfs/dbraw/zinc/41/38/35/752413835.db2.gz VLDWYHGZRGAYMF-HZPDHXFCSA-N 1 1 334.464 0.176 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001059912270 752469617 /nfs/dbraw/zinc/46/96/17/752469617.db2.gz YQHCZFKSYPCHNM-HOTGVXAUSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001059912270 752469620 /nfs/dbraw/zinc/46/96/20/752469620.db2.gz YQHCZFKSYPCHNM-HOTGVXAUSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccn(C)n2)C1 ZINC001007519357 752475519 /nfs/dbraw/zinc/47/55/19/752475519.db2.gz PHLBQIBMYCKVSS-WBVHZDCISA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccn(C)n2)C1 ZINC001007519357 752475526 /nfs/dbraw/zinc/47/55/26/752475526.db2.gz PHLBQIBMYCKVSS-WBVHZDCISA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(OC)no2)C1 ZINC001007520056 752476937 /nfs/dbraw/zinc/47/69/37/752476937.db2.gz XGYGTDIUHLXSSE-HOCLYGCPSA-N 1 1 346.431 0.861 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(OC)no2)C1 ZINC001007520056 752476943 /nfs/dbraw/zinc/47/69/43/752476943.db2.gz XGYGTDIUHLXSSE-HOCLYGCPSA-N 1 1 346.431 0.861 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000937754804 752501887 /nfs/dbraw/zinc/50/18/87/752501887.db2.gz ATWUKVXIGOTIPW-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1C(F)(F)F ZINC001112122287 752565744 /nfs/dbraw/zinc/56/57/44/752565744.db2.gz FMHQDMREGIYIIT-GMTAPVOTSA-N 1 1 340.367 0.422 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCc3cnc[nH]3)C2)[nH]1 ZINC000937838466 752569394 /nfs/dbraw/zinc/56/93/94/752569394.db2.gz ABXXFYFXRFULAC-ZDUSSCGKSA-N 1 1 326.360 0.573 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001028413039 752585891 /nfs/dbraw/zinc/58/58/91/752585891.db2.gz VKPREQSRHKRQDQ-NEPJUHHUSA-N 1 1 333.226 0.749 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001028413039 752585894 /nfs/dbraw/zinc/58/58/94/752585894.db2.gz VKPREQSRHKRQDQ-NEPJUHHUSA-N 1 1 333.226 0.749 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)s1 ZINC001028420567 752591922 /nfs/dbraw/zinc/59/19/22/752591922.db2.gz MFWQBZQGOUQHIP-DOMZBBRYSA-N 1 1 335.429 0.973 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001028417086 752599778 /nfs/dbraw/zinc/59/97/78/752599778.db2.gz DQOQZCWMABVYNW-CJNGLKHVSA-N 1 1 345.447 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C(C)C)C2)C1 ZINC001007605209 752618075 /nfs/dbraw/zinc/61/80/75/752618075.db2.gz NTQREDZLNVJPAG-LPHOPBHVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C(C)C)C2)C1 ZINC001007605209 752618079 /nfs/dbraw/zinc/61/80/79/752618079.db2.gz NTQREDZLNVJPAG-LPHOPBHVSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccnn3C)C2)C1=O ZINC001028439462 752643605 /nfs/dbraw/zinc/64/36/05/752643605.db2.gz TZBSTBVGIQHCJW-UKRRQHHQSA-N 1 1 331.420 0.259 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465779 752756612 /nfs/dbraw/zinc/75/66/12/752756612.db2.gz MZLKGNAUMGSNTA-QZTJIDSGSA-N 1 1 342.443 0.827 20 30 ECEDMO C[C@H](c1nncn1C)[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467697 752761100 /nfs/dbraw/zinc/76/11/00/752761100.db2.gz FVQKUDFUDQHBAP-VXGBXAGGSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@H](c1nncn1C)[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467697 752761106 /nfs/dbraw/zinc/76/11/06/752761106.db2.gz FVQKUDFUDQHBAP-VXGBXAGGSA-N 1 1 327.392 0.828 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C1CC1)CCO2 ZINC001007674932 752764843 /nfs/dbraw/zinc/76/48/43/752764843.db2.gz NHAZEVFDNZOGAN-LPHOPBHVSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C1CC1)CCO2 ZINC001007674932 752764851 /nfs/dbraw/zinc/76/48/51/752764851.db2.gz NHAZEVFDNZOGAN-LPHOPBHVSA-N 1 1 345.443 0.324 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)c1 ZINC001028468679 752765123 /nfs/dbraw/zinc/76/51/23/752765123.db2.gz AWNNLNDZNPYDKF-AWEZNQCLSA-N 1 1 343.431 0.951 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCN3C)C[C@]2(C)C1 ZINC001101199069 752771138 /nfs/dbraw/zinc/77/11/38/752771138.db2.gz WECJLTXEFWWAAF-NUJGCVRESA-N 1 1 337.464 0.300 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001007685249 752786238 /nfs/dbraw/zinc/78/62/38/752786238.db2.gz OLZSZZZOMBDEJH-DNVCBOLYSA-N 1 1 349.475 0.980 20 30 ECEDMO COCCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccncc1C#N ZINC001126372420 752793468 /nfs/dbraw/zinc/79/34/68/752793468.db2.gz DWHHBNQRSNFMOK-OAHLLOKOSA-N 1 1 345.447 0.864 20 30 ECEDMO COCCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1cncc(C#N)n1 ZINC001126372958 752808205 /nfs/dbraw/zinc/80/82/05/752808205.db2.gz MPBZJAZSCXFJTO-AWEZNQCLSA-N 1 1 346.435 0.259 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486460 752821810 /nfs/dbraw/zinc/82/18/10/752821810.db2.gz GFBJSJQUHCIEPQ-NEPJUHHUSA-N 1 1 329.404 0.605 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)[nH]1 ZINC001028487553 752822672 /nfs/dbraw/zinc/82/26/72/752822672.db2.gz YSLGIDBYVJNXCO-TZMCWYRMSA-N 1 1 339.403 0.717 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1OC ZINC001212178308 752822699 /nfs/dbraw/zinc/82/26/99/752822699.db2.gz QUDGBZXNUXNMEB-BFYDXBDKSA-N 1 1 337.420 0.934 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1OC ZINC001212178308 752822707 /nfs/dbraw/zinc/82/27/07/752822707.db2.gz QUDGBZXNUXNMEB-BFYDXBDKSA-N 1 1 337.420 0.934 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001059930644 752892564 /nfs/dbraw/zinc/89/25/64/752892564.db2.gz GPNIRCPRTBRDQH-KGLIPLIRSA-N 1 1 328.420 0.633 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001007774692 752921245 /nfs/dbraw/zinc/92/12/45/752921245.db2.gz JHRSADLFQKYSRV-MRXNPFEDSA-N 1 1 331.416 0.712 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001211814220 752939296 /nfs/dbraw/zinc/93/92/96/752939296.db2.gz XBHUTFXGVLLCRG-JCURWCKSSA-N 1 1 344.415 0.398 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001211814220 752939301 /nfs/dbraw/zinc/93/93/01/752939301.db2.gz XBHUTFXGVLLCRG-JCURWCKSSA-N 1 1 344.415 0.398 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028505486 752961435 /nfs/dbraw/zinc/96/14/35/752961435.db2.gz HLCMCCQEPHDNSE-QGZVFWFLSA-N 1 1 340.427 0.975 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3nccc(C)n3)C2)C1=O ZINC001028511134 752994925 /nfs/dbraw/zinc/99/49/25/752994925.db2.gz ILKDUVXLAVRVDF-CABCVRRESA-N 1 1 343.431 0.624 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000988926556 753047921 /nfs/dbraw/zinc/04/79/21/753047921.db2.gz NNUUEYYQTBYEPB-IHRRRGAJSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000988926556 753047927 /nfs/dbraw/zinc/04/79/27/753047927.db2.gz NNUUEYYQTBYEPB-IHRRRGAJSA-N 1 1 339.386 0.846 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028536164 753095611 /nfs/dbraw/zinc/09/56/11/753095611.db2.gz NIOAKAKHDFNEAR-KGLIPLIRSA-N 1 1 331.420 0.777 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028536803 753096236 /nfs/dbraw/zinc/09/62/36/753096236.db2.gz YOVPNSPZXYNYHH-UONOGXRCSA-N 1 1 329.404 0.224 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCCN(CCOC)c1nccnc1C#N ZINC001126381173 753112313 /nfs/dbraw/zinc/11/23/13/753112313.db2.gz XGMIACWIYSANKL-UHFFFAOYSA-N 1 1 334.424 0.259 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1F ZINC001008176789 753425424 /nfs/dbraw/zinc/42/54/24/753425424.db2.gz LJCDNTMSFWMRDP-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1F ZINC001008176789 753425428 /nfs/dbraw/zinc/42/54/28/753425428.db2.gz LJCDNTMSFWMRDP-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982783341 753559352 /nfs/dbraw/zinc/55/93/52/753559352.db2.gz UOTDWWCCEXFFMM-JLZZUVOBSA-N 1 1 334.420 0.331 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2snc(Cl)c2C#N)C1 ZINC001105853241 762224310 /nfs/dbraw/zinc/22/43/10/762224310.db2.gz JMPDXJKTQHNWTR-RKDXNWHRSA-N 1 1 343.840 0.509 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098680567 753573258 /nfs/dbraw/zinc/57/32/58/753573258.db2.gz HJEUPKOLACXTBA-IAGOWNOFSA-N 1 1 344.463 0.505 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)n1cccn1 ZINC001083350314 753640730 /nfs/dbraw/zinc/64/07/30/753640730.db2.gz LQUSAHZICFHVJM-XKQJLSEDSA-N 1 1 339.399 0.677 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)n1cccn1 ZINC001083350314 753640734 /nfs/dbraw/zinc/64/07/34/753640734.db2.gz LQUSAHZICFHVJM-XKQJLSEDSA-N 1 1 339.399 0.677 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1 ZINC001008369199 753665283 /nfs/dbraw/zinc/66/52/83/753665283.db2.gz BVWMXNWWKHRJST-CABCVRRESA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)Cc3ccn[nH]3)CCO2)c1 ZINC001051507110 762239138 /nfs/dbraw/zinc/23/91/38/762239138.db2.gz ITECFBLJPWYEPH-KRWDZBQOSA-N 1 1 339.399 0.841 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)C1 ZINC000989390503 753763128 /nfs/dbraw/zinc/76/31/28/753763128.db2.gz IVENRRVIPCBTMN-HYVNUMGLSA-N 1 1 347.459 0.615 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)C1 ZINC000989390503 753763133 /nfs/dbraw/zinc/76/31/33/753763133.db2.gz IVENRRVIPCBTMN-HYVNUMGLSA-N 1 1 347.459 0.615 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC001008471462 753775599 /nfs/dbraw/zinc/77/55/99/753775599.db2.gz ZRPHSAYMPZKBFQ-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC001008471462 753775603 /nfs/dbraw/zinc/77/56/03/753775603.db2.gz ZRPHSAYMPZKBFQ-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001087464501 753792251 /nfs/dbraw/zinc/79/22/51/753792251.db2.gz MKVFJRMNWPOFSH-OAGGEKHMSA-N 1 1 345.374 0.841 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001087464501 753792256 /nfs/dbraw/zinc/79/22/56/753792256.db2.gz MKVFJRMNWPOFSH-OAGGEKHMSA-N 1 1 345.374 0.841 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@@H]2O)c1 ZINC001083392555 753793347 /nfs/dbraw/zinc/79/33/47/753793347.db2.gz OEPSQKOKYPSYDD-SJORKVTESA-N 1 1 346.431 0.868 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)nn2)C1 ZINC001105531655 753799924 /nfs/dbraw/zinc/79/99/24/753799924.db2.gz DTTZKOSFYAVIJM-HNNXBMFYSA-N 1 1 346.435 0.352 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC)N3CCCC3=O)C2)nn1 ZINC001105375709 753820770 /nfs/dbraw/zinc/82/07/70/753820770.db2.gz LVWUXYPQVKMPRH-OAHLLOKOSA-N 1 1 346.435 0.338 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@@]2(C)C1 ZINC000982818184 753847558 /nfs/dbraw/zinc/84/75/58/753847558.db2.gz YTIYGSBNLKFUOV-YTQUADARSA-N 1 1 347.459 0.427 20 30 ECEDMO CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583278 753864598 /nfs/dbraw/zinc/86/45/98/753864598.db2.gz QFKYTIDGYCZJGX-ZFWWWQNUSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)[C@@H]2CCOC2)C(C)(C)C1 ZINC001008542335 753891149 /nfs/dbraw/zinc/89/11/49/753891149.db2.gz FHRJFGGOUWNEPU-PMPSAXMXSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)[C@@H]2CCOC2)C(C)(C)C1 ZINC001008542335 753891154 /nfs/dbraw/zinc/89/11/54/753891154.db2.gz FHRJFGGOUWNEPU-PMPSAXMXSA-N 1 1 347.459 0.474 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001008546688 753898359 /nfs/dbraw/zinc/89/83/59/753898359.db2.gz KTGLDGBSUMLEMA-OAGGEKHMSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001008546688 753898366 /nfs/dbraw/zinc/89/83/66/753898366.db2.gz KTGLDGBSUMLEMA-OAGGEKHMSA-N 1 1 326.400 0.760 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001028603519 753899098 /nfs/dbraw/zinc/89/90/98/753899098.db2.gz BWJXRBFTDKXOMH-HZPDHXFCSA-N 1 1 327.432 0.907 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC001008560082 753914516 /nfs/dbraw/zinc/91/45/16/753914516.db2.gz RDGDLYPWOAEJAA-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001008560082 753914521 /nfs/dbraw/zinc/91/45/21/753914521.db2.gz RDGDLYPWOAEJAA-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001008575003 753927113 /nfs/dbraw/zinc/92/71/13/753927113.db2.gz NWLDFNSTXQKYMW-ZNMIVQPWSA-N 1 1 349.431 0.307 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001105595774 753943784 /nfs/dbraw/zinc/94/37/84/753943784.db2.gz JECRHDAPFPFXLD-CHWSQXEVSA-N 1 1 325.376 0.770 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC[N@H+]1C ZINC000925320570 753987585 /nfs/dbraw/zinc/98/75/85/753987585.db2.gz MENWTLRJYAYSDI-UKRRQHHQSA-N 1 1 328.420 0.877 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@@]2(C)C1 ZINC000982854401 754003079 /nfs/dbraw/zinc/00/30/79/754003079.db2.gz MABSBLMQKQFLSG-JCGIZDLHSA-N 1 1 332.448 0.723 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982855764 754005890 /nfs/dbraw/zinc/00/58/90/754005890.db2.gz VYCNQGXJRZWNRI-DOPJRALCSA-N 1 1 331.416 0.233 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3cncn3C)CC2)C1=O ZINC000989483205 754020477 /nfs/dbraw/zinc/02/04/77/754020477.db2.gz PMGPCUIVUNRCTK-INIZCTEOSA-N 1 1 345.447 0.284 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3cncn3C)CC2)C1=O ZINC000989483205 754020485 /nfs/dbraw/zinc/02/04/85/754020485.db2.gz PMGPCUIVUNRCTK-INIZCTEOSA-N 1 1 345.447 0.284 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001008739015 754060458 /nfs/dbraw/zinc/06/04/58/754060458.db2.gz SBVVJVCYZUVKFE-CYBMUJFWSA-N 1 1 330.392 0.048 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cnn(C)n3)C[C@H]2C)nn1 ZINC000989544734 754093825 /nfs/dbraw/zinc/09/38/25/754093825.db2.gz WVRXFVSTEZVEHI-OLZOCXBDSA-N 1 1 344.423 0.376 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CO[C@H](C[NH2+]Cc3cnn(C)n3)C2)CC1 ZINC000982892856 754104375 /nfs/dbraw/zinc/10/43/75/754104375.db2.gz ZFDYLGJWMXZLMX-HIFRSBDPSA-N 1 1 346.435 0.462 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557329 754112251 /nfs/dbraw/zinc/11/22/51/754112251.db2.gz IALOIYPRMYVYQR-HNNXBMFYSA-N 1 1 327.450 0.016 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557329 754112257 /nfs/dbraw/zinc/11/22/57/754112257.db2.gz IALOIYPRMYVYQR-HNNXBMFYSA-N 1 1 327.450 0.016 20 30 ECEDMO Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)[nH]1 ZINC001051524791 762276701 /nfs/dbraw/zinc/27/67/01/762276701.db2.gz XQENEHZSPRDGAH-ZWNOBZJWSA-N 1 1 343.391 0.505 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccns2)C1 ZINC000982921212 754199679 /nfs/dbraw/zinc/19/96/79/754199679.db2.gz HFACDLXCTDRHPG-KGLIPLIRSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccns2)C1 ZINC000982921212 754199684 /nfs/dbraw/zinc/19/96/84/754199684.db2.gz HFACDLXCTDRHPG-KGLIPLIRSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC000982922605 754204329 /nfs/dbraw/zinc/20/43/29/754204329.db2.gz MCRRYMVUCXHFHM-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC000982922605 754204332 /nfs/dbraw/zinc/20/43/32/754204332.db2.gz MCRRYMVUCXHFHM-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO Cc1nsc(NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2C)c1C#N ZINC001105866984 762280463 /nfs/dbraw/zinc/28/04/63/762280463.db2.gz OSHFCZYZJMPWCX-NSHDSACASA-N 1 1 334.405 0.417 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cocn3)[C@@H]2C1 ZINC001008889874 754265187 /nfs/dbraw/zinc/26/51/87/754265187.db2.gz JDDHUJDTBMXANC-AYDFFVQHSA-N 1 1 342.399 0.206 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cocn3)[C@@H]2C1 ZINC001008889874 754265191 /nfs/dbraw/zinc/26/51/91/754265191.db2.gz JDDHUJDTBMXANC-AYDFFVQHSA-N 1 1 342.399 0.206 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)cc1 ZINC001114940036 754316872 /nfs/dbraw/zinc/31/68/72/754316872.db2.gz UKFAROQTUQMJBU-PIIMJCKOSA-N 1 1 344.411 0.368 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028658969 754370282 /nfs/dbraw/zinc/37/02/82/754370282.db2.gz KNVPMWKVZSMSRV-SNVBAGLBSA-N 1 1 347.824 0.731 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028658969 754370286 /nfs/dbraw/zinc/37/02/86/754370286.db2.gz KNVPMWKVZSMSRV-SNVBAGLBSA-N 1 1 347.824 0.731 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028659850 754386378 /nfs/dbraw/zinc/38/63/78/754386378.db2.gz YQMJXPZVYXJHIQ-NSHDSACASA-N 1 1 327.406 0.555 20 30 ECEDMO C[NH+]=C(NCC1(N(C)C)CCOCC1)N1CCO[C@@H](COC)C1 ZINC000261833609 754417426 /nfs/dbraw/zinc/41/74/26/754417426.db2.gz JEZVIJBJQQQKLS-CQSZACIVSA-N 1 1 328.457 0.020 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNc1nc(Cl)c(C#N)s1 ZINC001105869273 762302806 /nfs/dbraw/zinc/30/28/06/762302806.db2.gz OOLAUNVRUMSUMD-VIFPVBQESA-N 1 1 345.856 0.897 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1 ZINC001009059862 754493133 /nfs/dbraw/zinc/49/31/33/754493133.db2.gz AUJJBLZMRAURJF-CYUUQNCZSA-N 1 1 341.415 0.272 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](NCc3cnnn3C)C[C@H]2C)CC1 ZINC000989828470 754497382 /nfs/dbraw/zinc/49/73/82/754497382.db2.gz DHSIEEQEPXXURU-ZBFHGGJFSA-N 1 1 344.463 0.239 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)C1 ZINC000990002096 754637522 /nfs/dbraw/zinc/63/75/22/754637522.db2.gz QNNHETBKLMAPMA-NFAWXSAZSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000990002062 754637665 /nfs/dbraw/zinc/63/76/65/754637665.db2.gz PUDDSXJLEWWIHK-ZENOOKHLSA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3cncc(C#N)n3)C2)C1 ZINC001060007740 754688632 /nfs/dbraw/zinc/68/86/32/754688632.db2.gz PQSDBYVVAPJNGB-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3cncc(C#N)n3)C2)C1 ZINC001060007740 754688634 /nfs/dbraw/zinc/68/86/34/754688634.db2.gz PQSDBYVVAPJNGB-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2-n2cnnn2)[C@H]1C ZINC001088701947 754742262 /nfs/dbraw/zinc/74/22/62/754742262.db2.gz SKXOMDLEOZZZGI-NEPJUHHUSA-N 1 1 330.417 0.940 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2sccc2-n2cnnn2)[C@H]1C ZINC001088701947 754742265 /nfs/dbraw/zinc/74/22/65/754742265.db2.gz SKXOMDLEOZZZGI-NEPJUHHUSA-N 1 1 330.417 0.940 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1CCC(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001204711369 754877349 /nfs/dbraw/zinc/87/73/49/754877349.db2.gz PTBYHVKMFMPJES-CYBMUJFWSA-N 1 1 336.440 0.520 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028735205 754916029 /nfs/dbraw/zinc/91/60/29/754916029.db2.gz IOBQGRJATCBUSA-BLLLJJGKSA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028735205 754916033 /nfs/dbraw/zinc/91/60/33/754916033.db2.gz IOBQGRJATCBUSA-BLLLJJGKSA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)N2CCC2)CC3)[nH]1 ZINC000990278055 754933248 /nfs/dbraw/zinc/93/32/48/754933248.db2.gz TZWGFBZDZZEOJK-MAUKXSAKSA-N 1 1 341.415 0.845 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3c(C)cnn3C)C2)C1=O ZINC001028748211 754961159 /nfs/dbraw/zinc/96/11/59/754961159.db2.gz SZFITAHUUOQJDJ-CABCVRRESA-N 1 1 345.447 0.567 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075697927 754995199 /nfs/dbraw/zinc/99/51/99/754995199.db2.gz NAJHAMSTJMTRGH-MQIPJXDCSA-N 1 1 341.415 0.700 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075697927 754995204 /nfs/dbraw/zinc/99/52/04/754995204.db2.gz NAJHAMSTJMTRGH-MQIPJXDCSA-N 1 1 341.415 0.700 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059108002 755011997 /nfs/dbraw/zinc/01/19/97/755011997.db2.gz QLNIFPLIOGJEFC-UONOGXRCSA-N 1 1 328.420 0.657 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H]1C ZINC001088707735 755054615 /nfs/dbraw/zinc/05/46/15/755054615.db2.gz KLPDJZVUJYHAGF-YPMHNXCESA-N 1 1 328.372 0.628 20 30 ECEDMO O=C(NC[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CNC(=O)N1 ZINC001028774460 755065299 /nfs/dbraw/zinc/06/52/99/755065299.db2.gz XDAPQDNQRQSANL-GOEBONIOSA-N 1 1 344.390 0.297 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001009639011 755108060 /nfs/dbraw/zinc/10/80/60/755108060.db2.gz TXTMRLZGZKLWFS-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)c[nH]1 ZINC001075709409 755193817 /nfs/dbraw/zinc/19/38/17/755193817.db2.gz HZHCCWIPBLTEPN-SWLSCSKDSA-N 1 1 342.403 0.058 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC000938154399 755196325 /nfs/dbraw/zinc/19/63/25/755196325.db2.gz FWTBWAIERRJLRO-MJBXVCDLSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC000938154399 755196329 /nfs/dbraw/zinc/19/63/29/755196329.db2.gz FWTBWAIERRJLRO-MJBXVCDLSA-N 1 1 339.386 0.846 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001028808897 755200571 /nfs/dbraw/zinc/20/05/71/755200571.db2.gz GUYAAXSXQIWZTH-IMJJTQAJSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCC1(C(=O)NCC[NH2+]Cc2nnc(CC)n2C)CCOCC1 ZINC001149306043 755253427 /nfs/dbraw/zinc/25/34/27/755253427.db2.gz SEZUNHXLYGTTKN-UHFFFAOYSA-N 1 1 335.452 0.956 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)cc1 ZINC001028849367 755301875 /nfs/dbraw/zinc/30/18/75/755301875.db2.gz BAMDJCWPFCEEPY-LSDHHAIUSA-N 1 1 343.427 0.885 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)nn1 ZINC001028853874 755314271 /nfs/dbraw/zinc/31/42/71/755314271.db2.gz ZOPGSUAODUNZHR-ZDUSSCGKSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)nn1 ZINC001028853874 755314273 /nfs/dbraw/zinc/31/42/73/755314273.db2.gz ZOPGSUAODUNZHR-ZDUSSCGKSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001028857440 755322766 /nfs/dbraw/zinc/32/27/66/755322766.db2.gz IDZNEBBQQDIIJC-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO COCCN(CCNC(=O)Cn1c[nH+]cc1C)c1cnc(C#N)cn1 ZINC001126440218 755327116 /nfs/dbraw/zinc/32/71/16/755327116.db2.gz GZQFAOJFRUVYNO-UHFFFAOYSA-N 1 1 343.391 0.122 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ncccn3)C2)C1=O ZINC001028881900 755379902 /nfs/dbraw/zinc/37/99/02/755379902.db2.gz DYOBEAXEXNFHQY-KBPBESRZSA-N 1 1 329.404 0.315 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000983369479 755435923 /nfs/dbraw/zinc/43/59/23/755435923.db2.gz NUYUZULVYMVHNU-HOCLYGCPSA-N 1 1 343.431 0.015 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000983369479 755435928 /nfs/dbraw/zinc/43/59/28/755435928.db2.gz NUYUZULVYMVHNU-HOCLYGCPSA-N 1 1 343.431 0.015 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001060063331 755689390 /nfs/dbraw/zinc/68/93/90/755689390.db2.gz JBADUPRZQNHUPP-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001060063331 755689393 /nfs/dbraw/zinc/68/93/93/755689393.db2.gz JBADUPRZQNHUPP-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088795993 755717267 /nfs/dbraw/zinc/71/72/67/755717267.db2.gz SXOIPZITQSZISD-HYVNUMGLSA-N 1 1 340.427 0.641 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088795993 755717272 /nfs/dbraw/zinc/71/72/72/755717272.db2.gz SXOIPZITQSZISD-HYVNUMGLSA-N 1 1 340.427 0.641 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(C)n3C)C2)C1=O ZINC001010185561 755776371 /nfs/dbraw/zinc/77/63/71/755776371.db2.gz LNQQMRYMZNHVFU-ZBFHGGJFSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C)n3C)C2)C1=O ZINC001010185561 755776375 /nfs/dbraw/zinc/77/63/75/755776375.db2.gz LNQQMRYMZNHVFU-ZBFHGGJFSA-N 1 1 330.432 0.925 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@H]12 ZINC000990761570 755844478 /nfs/dbraw/zinc/84/44/78/755844478.db2.gz JDTWDOIBELXTIF-BLLLJJGKSA-N 1 1 332.408 0.066 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)cc1C#N ZINC001010252533 755886762 /nfs/dbraw/zinc/88/67/62/755886762.db2.gz JEMSKCKZEWGUCA-NVXWUHKLSA-N 1 1 345.399 0.673 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)cc1C#N ZINC001010252533 755886765 /nfs/dbraw/zinc/88/67/65/755886765.db2.gz JEMSKCKZEWGUCA-NVXWUHKLSA-N 1 1 345.399 0.673 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccc3c2NC(=O)CO3)[C@@H](O)C1 ZINC001083530330 755949512 /nfs/dbraw/zinc/94/95/12/755949512.db2.gz IYFVSIIUMNKLOV-OLZOCXBDSA-N 1 1 331.372 0.369 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc3c2NC(=O)CO3)[C@@H](O)C1 ZINC001083530330 755949515 /nfs/dbraw/zinc/94/95/15/755949515.db2.gz IYFVSIIUMNKLOV-OLZOCXBDSA-N 1 1 331.372 0.369 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001076007800 755951231 /nfs/dbraw/zinc/95/12/31/755951231.db2.gz PDUADSGNPKWLBJ-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001076007800 755951234 /nfs/dbraw/zinc/95/12/34/755951234.db2.gz PDUADSGNPKWLBJ-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001010344361 756027468 /nfs/dbraw/zinc/02/74/68/756027468.db2.gz MKILAZYPZWAMCN-LSDHHAIUSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001010344361 756027475 /nfs/dbraw/zinc/02/74/75/756027475.db2.gz MKILAZYPZWAMCN-LSDHHAIUSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001010344360 756027733 /nfs/dbraw/zinc/02/77/33/756027733.db2.gz MKILAZYPZWAMCN-HUUCEWRRSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001010344360 756027738 /nfs/dbraw/zinc/02/77/38/756027738.db2.gz MKILAZYPZWAMCN-HUUCEWRRSA-N 1 1 331.420 0.169 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083539870 756032026 /nfs/dbraw/zinc/03/20/26/756032026.db2.gz XRAALKDFAZALEJ-XMTFNYHQSA-N 1 1 344.411 0.328 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)c1 ZINC001010457811 756151789 /nfs/dbraw/zinc/15/17/89/756151789.db2.gz ODDUPYRRTDPDFY-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)c1 ZINC001010457811 756151792 /nfs/dbraw/zinc/15/17/92/756151792.db2.gz ODDUPYRRTDPDFY-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC(=O)C1 ZINC001010496257 756183572 /nfs/dbraw/zinc/18/35/72/756183572.db2.gz LRQHVVHEUBRXCI-RDJZCZTQSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC(=O)C1 ZINC001010496257 756183573 /nfs/dbraw/zinc/18/35/73/756183573.db2.gz LRQHVVHEUBRXCI-RDJZCZTQSA-N 1 1 343.402 0.894 20 30 ECEDMO CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051609038 762458697 /nfs/dbraw/zinc/45/86/97/762458697.db2.gz NCAHFPURFLLANM-OAHLLOKOSA-N 1 1 331.420 0.337 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)nn1 ZINC001076335928 756377612 /nfs/dbraw/zinc/37/76/12/756377612.db2.gz CIACMHIAYHMUNJ-OFQRWUPVSA-N 1 1 331.420 0.647 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)[C@@H]2C1 ZINC001076356028 756410270 /nfs/dbraw/zinc/41/02/70/756410270.db2.gz QKXGDSVYWVVQMY-GXTWGEPZSA-N 1 1 325.372 0.605 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010696945 756411577 /nfs/dbraw/zinc/41/15/77/756411577.db2.gz UNNRPFWEGVLUDZ-DOTOQJQBSA-N 1 1 346.406 0.718 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010696945 756411579 /nfs/dbraw/zinc/41/15/79/756411579.db2.gz UNNRPFWEGVLUDZ-DOTOQJQBSA-N 1 1 346.406 0.718 20 30 ECEDMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083547471 756463023 /nfs/dbraw/zinc/46/30/23/756463023.db2.gz MVLDAHSIWNUUAB-KGLIPLIRSA-N 1 1 341.371 0.271 20 30 ECEDMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083547471 756463026 /nfs/dbraw/zinc/46/30/26/756463026.db2.gz MVLDAHSIWNUUAB-KGLIPLIRSA-N 1 1 341.371 0.271 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001010754760 756483432 /nfs/dbraw/zinc/48/34/32/756483432.db2.gz RCVPTTOBVPTHGW-MRXNPFEDSA-N 1 1 344.390 0.866 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001010754760 756483435 /nfs/dbraw/zinc/48/34/35/756483435.db2.gz RCVPTTOBVPTHGW-MRXNPFEDSA-N 1 1 344.390 0.866 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010756752 756485612 /nfs/dbraw/zinc/48/56/12/756485612.db2.gz ZJSNXEJCZJBCLX-QGZVFWFLSA-N 1 1 326.400 0.727 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CC3OCCCO3)C2)C1=O ZINC001010761975 756492111 /nfs/dbraw/zinc/49/21/11/756492111.db2.gz WVOWNGJZHCVGTF-KGLIPLIRSA-N 1 1 337.420 0.117 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CC3OCCCO3)C2)C1=O ZINC001010761975 756492113 /nfs/dbraw/zinc/49/21/13/756492113.db2.gz WVOWNGJZHCVGTF-KGLIPLIRSA-N 1 1 337.420 0.117 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001076437710 756513289 /nfs/dbraw/zinc/51/32/89/756513289.db2.gz VDLXSFFTRGISOI-NWDGAFQWSA-N 1 1 340.811 0.214 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001076437710 756513293 /nfs/dbraw/zinc/51/32/93/756513293.db2.gz VDLXSFFTRGISOI-NWDGAFQWSA-N 1 1 340.811 0.214 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076438981 756515801 /nfs/dbraw/zinc/51/58/01/756515801.db2.gz XPAPBSRBRTYEOQ-OWCLPIDISA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076438981 756515802 /nfs/dbraw/zinc/51/58/02/756515802.db2.gz XPAPBSRBRTYEOQ-OWCLPIDISA-N 1 1 338.473 0.757 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001076478157 756564938 /nfs/dbraw/zinc/56/49/38/756564938.db2.gz OPRAELCUHVXZEO-YESZJQIVSA-N 1 1 338.411 0.870 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001076478157 756564940 /nfs/dbraw/zinc/56/49/40/756564940.db2.gz OPRAELCUHVXZEO-YESZJQIVSA-N 1 1 338.411 0.870 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1c1ccc(C#N)nn1 ZINC001060123333 756609923 /nfs/dbraw/zinc/60/99/23/756609923.db2.gz HRTLFHDASIAQBQ-HUUCEWRRSA-N 1 1 328.420 0.918 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(=O)NC)n3)[C@@H]2C1 ZINC001076514485 756610448 /nfs/dbraw/zinc/61/04/48/756610448.db2.gz FVFTVDXEXIMRET-XJKSGUPXSA-N 1 1 326.400 0.611 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1c1ccnc(C#N)n1 ZINC001060124275 756622647 /nfs/dbraw/zinc/62/26/47/756622647.db2.gz XIYRBTBFRFVSJK-KBPBESRZSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)[C@@H]2C1 ZINC001076540688 756623611 /nfs/dbraw/zinc/62/36/11/756623611.db2.gz YGNUBOVZCCKAIZ-DOTOQJQBSA-N 1 1 336.399 0.832 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)Cn2cc[nH+]c2C)nn1 ZINC001076575835 756667375 /nfs/dbraw/zinc/66/73/75/756667375.db2.gz JQNANNUGMUPZLM-LBPRGKRZSA-N 1 1 345.407 0.294 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001076587132 756690883 /nfs/dbraw/zinc/69/08/83/756690883.db2.gz VBMFWUAYFQMXAJ-ZFWWWQNUSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C)CCOC ZINC001076637750 756756656 /nfs/dbraw/zinc/75/66/56/756756656.db2.gz AJOQKOJUUHYPDT-PMPSAXMXSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C)CCOC ZINC001076637750 756756661 /nfs/dbraw/zinc/75/66/61/756756661.db2.gz AJOQKOJUUHYPDT-PMPSAXMXSA-N 1 1 337.464 0.768 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@H+]1C ZINC001011020473 756774643 /nfs/dbraw/zinc/77/46/43/756774643.db2.gz YTFROUQSGQJNSV-GOEBONIOSA-N 1 1 343.431 0.901 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001011028101 756790140 /nfs/dbraw/zinc/79/01/40/756790140.db2.gz OPZBVPAADYJGIE-UHFFFAOYSA-N 1 1 343.431 0.903 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)c1 ZINC001076667483 756807883 /nfs/dbraw/zinc/80/78/83/756807883.db2.gz FNZBJUGVQUWLQP-IAGOWNOFSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)c1 ZINC001076667483 756807888 /nfs/dbraw/zinc/80/78/88/756807888.db2.gz FNZBJUGVQUWLQP-IAGOWNOFSA-N 1 1 329.400 0.646 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CCOCC2)CC1 ZINC001011038302 756814119 /nfs/dbraw/zinc/81/41/19/756814119.db2.gz OIFMTISSOONXLL-INIZCTEOSA-N 1 1 331.416 0.102 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CCOCC2)CC1 ZINC001011038302 756814121 /nfs/dbraw/zinc/81/41/21/756814121.db2.gz OIFMTISSOONXLL-INIZCTEOSA-N 1 1 331.416 0.102 20 30 ECEDMO CCn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771321 756944590 /nfs/dbraw/zinc/94/45/90/756944590.db2.gz GZJXUUFGEHIPQG-BETUJISGSA-N 1 1 339.403 0.702 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)C[C@@H]3C2)[nH]1 ZINC001048772309 756945492 /nfs/dbraw/zinc/94/54/92/756945492.db2.gz XDWHKORFQFSRAZ-BETUJISGSA-N 1 1 325.376 0.182 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001011136961 757005194 /nfs/dbraw/zinc/00/51/94/757005194.db2.gz GPAJQOITAPQXOI-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001011136961 757005220 /nfs/dbraw/zinc/00/52/20/757005220.db2.gz GPAJQOITAPQXOI-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C=CCOCC(=O)NCc1cn(C2C[NH+](CCC[C@H](C)O)C2)nn1 ZINC001107146211 757037383 /nfs/dbraw/zinc/03/73/83/757037383.db2.gz AZAQTQWLFZMXGT-ZDUSSCGKSA-N 1 1 337.424 0.115 20 30 ECEDMO C=CCOCC(=O)NCc1cn(C2C[NH+](CC[C@H]3CCCO3)C2)nn1 ZINC001107147084 757045049 /nfs/dbraw/zinc/04/50/49/757045049.db2.gz SWMMUSAWCAKPSK-MRXNPFEDSA-N 1 1 349.435 0.523 20 30 ECEDMO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](CC[C@@H]3CCCO3)C2)nn1 ZINC001107149609 757051576 /nfs/dbraw/zinc/05/15/76/757051576.db2.gz KPYANJAGPSZRML-WFASDCNBSA-N 1 1 332.408 0.480 20 30 ECEDMO C#CCCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001076768377 757058672 /nfs/dbraw/zinc/05/86/72/757058672.db2.gz BCJOFJDEUVNJLV-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CCCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001076768377 757058678 /nfs/dbraw/zinc/05/86/78/757058678.db2.gz BCJOFJDEUVNJLV-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO CCn1c(C)nnc1C[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048809837 757066825 /nfs/dbraw/zinc/06/68/25/757066825.db2.gz AEKCDECAIXIMNI-IYBDPMFKSA-N 1 1 327.432 0.910 20 30 ECEDMO CCn1c(C)nnc1C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048809837 757066834 /nfs/dbraw/zinc/06/68/34/757066834.db2.gz AEKCDECAIXIMNI-IYBDPMFKSA-N 1 1 327.432 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc(C)n2)CC1 ZINC001011171659 757109121 /nfs/dbraw/zinc/10/91/21/757109121.db2.gz YKUIGUPOJNZVOG-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc(C)n2)CC1 ZINC001011171659 757109126 /nfs/dbraw/zinc/10/91/26/757109126.db2.gz YKUIGUPOJNZVOG-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001048826917 757122615 /nfs/dbraw/zinc/12/26/15/757122615.db2.gz ODFDBDSCUBGAGO-WTTBNOFXSA-N 1 1 345.447 0.687 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001048826917 757122625 /nfs/dbraw/zinc/12/26/25/757122625.db2.gz ODFDBDSCUBGAGO-WTTBNOFXSA-N 1 1 345.447 0.687 20 30 ECEDMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@H]3CN(CC#N)C[C@H]3C2)n[nH]1 ZINC001048830911 757133052 /nfs/dbraw/zinc/13/30/52/757133052.db2.gz AEQPLQLJNGDWLE-ZENOOKHLSA-N 1 1 328.420 0.704 20 30 ECEDMO C[N@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@H]3CN(CC#N)C[C@H]3C2)n[nH]1 ZINC001048830911 757133060 /nfs/dbraw/zinc/13/30/60/757133060.db2.gz AEQPLQLJNGDWLE-ZENOOKHLSA-N 1 1 328.420 0.704 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@@H]2C1 ZINC001048833673 757139160 /nfs/dbraw/zinc/13/91/60/757139160.db2.gz RRQTZZHAGOAPNQ-FZKCQIBNSA-N 1 1 339.867 0.992 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@@H]2C1 ZINC001048833673 757139162 /nfs/dbraw/zinc/13/91/62/757139162.db2.gz RRQTZZHAGOAPNQ-FZKCQIBNSA-N 1 1 339.867 0.992 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCc1cn(C2C[NH+](CC[C@@H](C)F)C2)nn1 ZINC001107163912 757196904 /nfs/dbraw/zinc/19/69/04/757196904.db2.gz HFAIZSAMMWSCNU-WBMJQRKESA-N 1 1 339.415 0.826 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCc1cn(C2C[NH+](CC[C@@H](C)F)C2)nn1 ZINC001107163911 757197061 /nfs/dbraw/zinc/19/70/61/757197061.db2.gz HFAIZSAMMWSCNU-MLGOLLRUSA-N 1 1 339.415 0.826 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CC[C@@H](C)F)C2)nn1 ZINC001107169352 757205215 /nfs/dbraw/zinc/20/52/15/757205215.db2.gz DICBKXISEPGWMD-CHWSQXEVSA-N 1 1 337.399 0.537 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O ZINC001076811251 757252211 /nfs/dbraw/zinc/25/22/11/757252211.db2.gz HBNUMYXOMZJDEZ-BRWVUGGUSA-N 1 1 328.416 0.314 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001048874280 757254376 /nfs/dbraw/zinc/25/43/76/757254376.db2.gz VVBXEYMYOPBYCK-JYJNAYRXSA-N 1 1 335.448 0.162 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC001011239737 757268222 /nfs/dbraw/zinc/26/82/22/757268222.db2.gz DFKCYQLDDTTYRT-HZPDHXFCSA-N 1 1 347.459 0.877 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ncc(C#N)cc3F)C2)C1 ZINC001068464725 790323902 /nfs/dbraw/zinc/32/39/02/790323902.db2.gz YKXBDGIEQKTYRT-WHOFXGATSA-N 1 1 347.394 0.730 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ncc(C#N)cc3F)C2)C1 ZINC001068464725 790323910 /nfs/dbraw/zinc/32/39/10/790323910.db2.gz YKXBDGIEQKTYRT-WHOFXGATSA-N 1 1 347.394 0.730 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001011262179 757320315 /nfs/dbraw/zinc/32/03/15/757320315.db2.gz MDZDHHKVBGRXCE-GDBMZVCRSA-N 1 1 348.447 0.460 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C[C@H]2C1 ZINC001048898681 757337289 /nfs/dbraw/zinc/33/72/89/757337289.db2.gz IULMOQYBIVIRSI-SOUVJXGZSA-N 1 1 345.447 0.903 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@H]2C1 ZINC001048900965 757343153 /nfs/dbraw/zinc/34/31/53/757343153.db2.gz RMNHARNOPJJXRX-TXEJJXNPSA-N 1 1 325.390 0.117 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12 ZINC000991001920 757366488 /nfs/dbraw/zinc/36/64/88/757366488.db2.gz XZIVVFCODPJGHS-ZBFHGGJFSA-N 1 1 339.461 0.158 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)c1 ZINC001076884418 757458287 /nfs/dbraw/zinc/45/82/87/757458287.db2.gz UBZDTYDCLZLDAP-ARFHVFGLSA-N 1 1 343.383 0.173 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)c1 ZINC001076884418 757458291 /nfs/dbraw/zinc/45/82/91/757458291.db2.gz UBZDTYDCLZLDAP-ARFHVFGLSA-N 1 1 343.383 0.173 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)co2)CC1 ZINC001011314773 757490069 /nfs/dbraw/zinc/49/00/69/757490069.db2.gz KCSMELVLMXSBKP-HNNXBMFYSA-N 1 1 329.400 0.970 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)co2)CC1 ZINC001011314773 757490075 /nfs/dbraw/zinc/49/00/75/757490075.db2.gz KCSMELVLMXSBKP-HNNXBMFYSA-N 1 1 329.400 0.970 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]2C1 ZINC001048956871 757510618 /nfs/dbraw/zinc/51/06/18/757510618.db2.gz BXMPPQWURFNRHL-GASCZTMLSA-N 1 1 333.436 0.328 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3ncnn3C)C(C)(C)C2)nn1 ZINC000996388165 757517920 /nfs/dbraw/zinc/51/79/20/757517920.db2.gz HZOSNNUQYCHJCF-ZDUSSCGKSA-N 1 1 344.423 0.233 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@H]2C1 ZINC001048960788 757524983 /nfs/dbraw/zinc/52/49/83/757524983.db2.gz MKKKPDAJVBFYIG-ZNMIVQPWSA-N 1 1 343.418 0.919 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001048966516 757540779 /nfs/dbraw/zinc/54/07/79/757540779.db2.gz RECGQOGHFKJEGE-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O ZINC001048972748 757558165 /nfs/dbraw/zinc/55/81/65/757558165.db2.gz ARWFWIXDYKMFIF-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001048973110 757561306 /nfs/dbraw/zinc/56/13/06/757561306.db2.gz LRCBHRYBEWMPSQ-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@H]3C2)n1 ZINC001048991288 757626463 /nfs/dbraw/zinc/62/64/63/757626463.db2.gz OJNMOHOLUMAMEH-PHIMTYICSA-N 1 1 343.416 0.347 20 30 ECEDMO O=C(C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1)NC1CC1 ZINC001021581138 757635970 /nfs/dbraw/zinc/63/59/70/757635970.db2.gz MAKFBCZWYVUKGD-RDJZCZTQSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001021586900 757647182 /nfs/dbraw/zinc/64/71/82/757647182.db2.gz FYLXCVZPLQVBED-LSDHHAIUSA-N 1 1 345.443 0.718 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C[C@H]2C1 ZINC001049006894 757673875 /nfs/dbraw/zinc/67/38/75/757673875.db2.gz LMOHYPSRXPGSCL-TXEJJXNPSA-N 1 1 325.372 0.691 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@H]2C1 ZINC001049007235 757675882 /nfs/dbraw/zinc/67/58/82/757675882.db2.gz URDHRNBEUBBEJG-SOUVJXGZSA-N 1 1 329.448 0.886 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ncccc2C#N)C1 ZINC001107210509 757692374 /nfs/dbraw/zinc/69/23/74/757692374.db2.gz LEJJAQPRJFTLJZ-NHZBNJEXSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ncccc2C#N)C1 ZINC001107210509 757692380 /nfs/dbraw/zinc/69/23/80/757692380.db2.gz LEJJAQPRJFTLJZ-NHZBNJEXSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNc2cc(C)ncc2C#N)C1 ZINC001107211372 757700919 /nfs/dbraw/zinc/70/09/19/757700919.db2.gz VSHDEPFBKKCMRQ-BDUNBXCCSA-N 1 1 343.431 0.489 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2cc(C)ncc2C#N)C1 ZINC001107211372 757700933 /nfs/dbraw/zinc/70/09/33/757700933.db2.gz VSHDEPFBKKCMRQ-BDUNBXCCSA-N 1 1 343.431 0.489 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021632771 757714148 /nfs/dbraw/zinc/71/41/48/757714148.db2.gz MGXVJXMLGRDCFK-HZPDHXFCSA-N 1 1 347.463 0.861 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3C[N@@H+](CCO)CC[C@H]32)nn1 ZINC001021687350 757782222 /nfs/dbraw/zinc/78/22/22/757782222.db2.gz HUMHGCWBOUKWJL-GDBMZVCRSA-N 1 1 333.436 0.773 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001021690894 757789388 /nfs/dbraw/zinc/78/93/88/757789388.db2.gz LCUVHQHTFLHQMC-HUUCEWRRSA-N 1 1 346.431 0.426 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001049068473 757867974 /nfs/dbraw/zinc/86/79/74/757867974.db2.gz UFHGQCLAWLUDLA-CLWVCHIJSA-N 1 1 331.420 0.296 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001049068473 757867981 /nfs/dbraw/zinc/86/79/81/757867981.db2.gz UFHGQCLAWLUDLA-CLWVCHIJSA-N 1 1 331.420 0.296 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(=O)n(C)n2)C1 ZINC001021728594 757870718 /nfs/dbraw/zinc/87/07/18/757870718.db2.gz UWGQOLGIQXXWCZ-GDBMZVCRSA-N 1 1 328.416 0.730 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001021730732 757873557 /nfs/dbraw/zinc/87/35/57/757873557.db2.gz PXRWJLMSZMGYAZ-LSDHHAIUSA-N 1 1 348.447 0.817 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3cnccn3)nn2)C1 ZINC001107225694 757879986 /nfs/dbraw/zinc/87/99/86/757879986.db2.gz FRXYHQURCLKKFM-UHFFFAOYSA-N 1 1 341.419 0.750 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@H]2C1 ZINC001049073162 757883166 /nfs/dbraw/zinc/88/31/66/757883166.db2.gz FZXIXBMQIRSMJL-SOUVJXGZSA-N 1 1 330.436 0.592 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4nonc4C)C[C@@H]3C2)nn1 ZINC001049103406 757966396 /nfs/dbraw/zinc/96/63/96/757966396.db2.gz LBEBQBMQPPLSJJ-BETUJISGSA-N 1 1 343.391 0.360 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nonc4C)C[C@@H]3C2)nn1 ZINC001049103406 757966404 /nfs/dbraw/zinc/96/64/04/757966404.db2.gz LBEBQBMQPPLSJJ-BETUJISGSA-N 1 1 343.391 0.360 20 30 ECEDMO Cn1ncc(C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]3C2)n1 ZINC001049113658 757997493 /nfs/dbraw/zinc/99/74/93/757997493.db2.gz HXTDXHAFSLXRKG-IYBDPMFKSA-N 1 1 336.399 0.891 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC)CC2(CCOCC2)C1 ZINC001099561965 758026041 /nfs/dbraw/zinc/02/60/41/758026041.db2.gz KYPUSQKVYBGARW-HNNXBMFYSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC)CC2(CCOCC2)C1 ZINC001099561965 758026051 /nfs/dbraw/zinc/02/60/51/758026051.db2.gz KYPUSQKVYBGARW-HNNXBMFYSA-N 1 1 335.448 0.523 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001077047381 758035518 /nfs/dbraw/zinc/03/55/18/758035518.db2.gz FRFHCSJJSAAPIE-QLFBSQMISA-N 1 1 337.464 0.761 20 30 ECEDMO N#Cc1nccnc1NC/C=C/CNC(=O)CC[NH+]1CCOCC1 ZINC001107254691 758053893 /nfs/dbraw/zinc/05/38/93/758053893.db2.gz ZBCWKUGVYUEWAW-OWOJBTEDSA-N 1 1 330.392 0.155 20 30 ECEDMO N#Cc1ccc(NC/C=C/CNC(=O)CC[NH+]2CCOCC2)cn1 ZINC001107254476 758054375 /nfs/dbraw/zinc/05/43/75/758054375.db2.gz UPFWDHCBXKDEMK-OWOJBTEDSA-N 1 1 329.404 0.760 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001077067019 758080716 /nfs/dbraw/zinc/08/07/16/758080716.db2.gz JABCOERCYKFMBE-RRFJBIMHSA-N 1 1 330.384 0.401 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049150388 758134533 /nfs/dbraw/zinc/13/45/33/758134533.db2.gz XEVMKCPHIDEUMF-GJZGRUSLSA-N 1 1 337.464 0.408 20 30 ECEDMO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)[nH]1 ZINC001014399472 762605066 /nfs/dbraw/zinc/60/50/66/762605066.db2.gz WDKKNRLVXKSODA-LLVKDONJSA-N 1 1 330.417 0.980 20 30 ECEDMO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)[nH]1 ZINC001014399472 762605070 /nfs/dbraw/zinc/60/50/70/762605070.db2.gz WDKKNRLVXKSODA-LLVKDONJSA-N 1 1 330.417 0.980 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cc4nnc[nH]4)C[C@H]3C2)cc1 ZINC001049162899 758182698 /nfs/dbraw/zinc/18/26/98/758182698.db2.gz ICBNFGZHYOYSBN-IYBDPMFKSA-N 1 1 336.399 0.809 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)Cc4ncn[nH]4)C[C@H]3C2)cc1 ZINC001049162899 758182704 /nfs/dbraw/zinc/18/27/04/758182704.db2.gz ICBNFGZHYOYSBN-IYBDPMFKSA-N 1 1 336.399 0.809 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cc4ncn[nH]4)C[C@H]3C2)cc1 ZINC001049162899 758182710 /nfs/dbraw/zinc/18/27/10/758182710.db2.gz ICBNFGZHYOYSBN-IYBDPMFKSA-N 1 1 336.399 0.809 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@H]2C1 ZINC001049168654 758200043 /nfs/dbraw/zinc/20/00/43/758200043.db2.gz JEKYFCBHULWTQF-BETUJISGSA-N 1 1 325.372 0.462 20 30 ECEDMO Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)[nH]n1 ZINC001107299826 758200947 /nfs/dbraw/zinc/20/09/47/758200947.db2.gz KIUPPUWEZKRXFA-RHSMWYFYSA-N 1 1 344.419 0.332 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001077107851 758210165 /nfs/dbraw/zinc/21/01/65/758210165.db2.gz AHQGWCOQDJELPQ-HUUCEWRRSA-N 1 1 327.388 0.823 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C(=O)NC)nc3)C[C@H]2C1 ZINC001049176917 758230100 /nfs/dbraw/zinc/23/01/00/758230100.db2.gz FKIXBXNJHFIORZ-GASCZTMLSA-N 1 1 326.400 0.468 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001077117156 758231593 /nfs/dbraw/zinc/23/15/93/758231593.db2.gz OPBAJFHRCYAOGV-IAOVAPTHSA-N 1 1 330.432 0.709 20 30 ECEDMO C#CCCCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049184936 758246968 /nfs/dbraw/zinc/24/69/68/758246968.db2.gz OHCRWLNBDHRHAR-IKGGRYGDSA-N 1 1 349.475 0.552 20 30 ECEDMO CC[C@@H](OC)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107315336 758250183 /nfs/dbraw/zinc/25/01/83/758250183.db2.gz OVGKCJITYWEHNF-CKEIUWERSA-N 1 1 336.436 0.412 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001077124021 758250981 /nfs/dbraw/zinc/25/09/81/758250981.db2.gz JXDZPGMRSJEADW-BBRMVZONSA-N 1 1 341.415 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001077124021 758250992 /nfs/dbraw/zinc/25/09/92/758250992.db2.gz JXDZPGMRSJEADW-BBRMVZONSA-N 1 1 341.415 0.609 20 30 ECEDMO Cc1cc(N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001051658185 762612518 /nfs/dbraw/zinc/61/25/18/762612518.db2.gz NDNMCBPXKVAGTH-HIFRSBDPSA-N 1 1 340.387 0.663 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]2C1 ZINC001049191479 758260856 /nfs/dbraw/zinc/26/08/56/758260856.db2.gz WSPUMXZMMSRABV-OLMNPRSZSA-N 1 1 339.439 0.735 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001077131206 758275375 /nfs/dbraw/zinc/27/53/75/758275375.db2.gz QNWUVXMRCVMOLY-TZMCWYRMSA-N 1 1 331.372 0.483 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc(=O)[nH]c1 ZINC001077124895 758286077 /nfs/dbraw/zinc/28/60/77/758286077.db2.gz IGPCABNFTXVWJH-ZFWWWQNUSA-N 1 1 344.415 0.509 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc(=O)[nH]c1 ZINC001077124895 758286086 /nfs/dbraw/zinc/28/60/86/758286086.db2.gz IGPCABNFTXVWJH-ZFWWWQNUSA-N 1 1 344.415 0.509 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001014407060 762622269 /nfs/dbraw/zinc/62/22/69/762622269.db2.gz MAXFEXMVZIHSBX-ZIAGYGMSSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001077147321 758340637 /nfs/dbraw/zinc/34/06/37/758340637.db2.gz LDLQRLFOBJUUIH-CHWSQXEVSA-N 1 1 331.372 0.369 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001014407060 762622266 /nfs/dbraw/zinc/62/22/66/762622266.db2.gz MAXFEXMVZIHSBX-ZIAGYGMSSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001077164079 758393771 /nfs/dbraw/zinc/39/37/71/758393771.db2.gz DYVOLGCRRXWLJJ-WCXIOVBPSA-N 1 1 349.475 0.905 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4ccnc4)C[C@H]3C2)C1=O ZINC001049247690 758428812 /nfs/dbraw/zinc/42/88/12/758428812.db2.gz DBGIKCHVBSPALW-XHSDSOJGSA-N 1 1 343.431 0.060 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001077193412 758474619 /nfs/dbraw/zinc/47/46/19/758474619.db2.gz DLFVKJCUNHUBKC-GHMZBOCLSA-N 1 1 328.294 0.294 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001077193412 758474621 /nfs/dbraw/zinc/47/46/21/758474621.db2.gz DLFVKJCUNHUBKC-GHMZBOCLSA-N 1 1 328.294 0.294 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CCS(=O)(=O)NC)CCC[C@@H]12 ZINC001107405621 758483323 /nfs/dbraw/zinc/48/33/23/758483323.db2.gz YPQXPJCZBRVCIL-UKRRQHHQSA-N 1 1 329.466 0.473 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)c1cc(C#N)c[nH]1 ZINC001077254701 758607443 /nfs/dbraw/zinc/60/74/43/758607443.db2.gz HWQIVAUKFAMVHB-SWLSCSKDSA-N 1 1 331.420 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC001011805317 758628136 /nfs/dbraw/zinc/62/81/36/758628136.db2.gz AIPNMZWWFJMGMV-OAHLLOKOSA-N 1 1 340.427 0.689 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001077601900 758700479 /nfs/dbraw/zinc/70/04/79/758700479.db2.gz YCFHUKFKAUUURN-SJLPKXTDSA-N 1 1 325.412 0.905 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 ZINC001107479774 758709076 /nfs/dbraw/zinc/70/90/76/758709076.db2.gz NBRFGPNRGCJUCZ-YYAJDYIMSA-N 1 1 347.459 0.794 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H](O)CNc2cc(CC)[nH+]c(C)n2)nc1 ZINC001105908488 762652776 /nfs/dbraw/zinc/65/27/76/762652776.db2.gz REMNDBTYCUIFKZ-OAHLLOKOSA-N 1 1 339.399 0.927 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001049449624 758721475 /nfs/dbraw/zinc/72/14/75/758721475.db2.gz IBWLOOTVBSUXEV-RLFYNMQTSA-N 1 1 348.447 0.824 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(C)sc3n2)C1 ZINC001077299847 758741779 /nfs/dbraw/zinc/74/17/79/758741779.db2.gz QGVWEJDTFZJFDE-ZIAGYGMSSA-N 1 1 334.445 0.984 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2ncc[nH]2)C1=O ZINC001049459777 758746864 /nfs/dbraw/zinc/74/68/64/758746864.db2.gz KVOYMPRJRNITPW-KFWWJZLASA-N 1 1 343.431 0.876 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001077315535 758799117 /nfs/dbraw/zinc/79/91/17/758799117.db2.gz QQQJYIYYOGGHBI-ZIAGYGMSSA-N 1 1 346.387 0.154 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001049511769 758830822 /nfs/dbraw/zinc/83/08/22/758830822.db2.gz AFJJKIBCXNNPQK-ZIAGYGMSSA-N 1 1 339.399 0.986 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001077346684 758852617 /nfs/dbraw/zinc/85/26/17/758852617.db2.gz KZIHVKGQWAMYDC-HZPDHXFCSA-N 1 1 327.384 0.370 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001049528070 758865398 /nfs/dbraw/zinc/86/53/98/758865398.db2.gz BQYWBMHBXMCVQQ-IKGGRYGDSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1cnon1 ZINC001049529803 758866515 /nfs/dbraw/zinc/86/65/15/758866515.db2.gz SAINZVCTBPRXJM-BBWFWOEESA-N 1 1 343.431 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1cnon1 ZINC001049529803 758866527 /nfs/dbraw/zinc/86/65/27/758866527.db2.gz SAINZVCTBPRXJM-BBWFWOEESA-N 1 1 343.431 0.733 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O ZINC001049561228 758925313 /nfs/dbraw/zinc/92/53/13/758925313.db2.gz ITDJLYSNOWCCLT-LSDHHAIUSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001049565214 758930494 /nfs/dbraw/zinc/93/04/94/758930494.db2.gz IZAZRULMHWHDIO-GJZGRUSLSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC001022599406 758936619 /nfs/dbraw/zinc/93/66/19/758936619.db2.gz AXQZLAKKGKJAGP-VVLHAWIVSA-N 1 1 345.443 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC001022599406 758936620 /nfs/dbraw/zinc/93/66/20/758936620.db2.gz AXQZLAKKGKJAGP-VVLHAWIVSA-N 1 1 345.443 0.180 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCN1C(=O)CCC1=O ZINC001049579171 758957019 /nfs/dbraw/zinc/95/70/19/758957019.db2.gz DORKKABAAIRIKZ-HUUCEWRRSA-N 1 1 331.416 0.614 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049608620 758988354 /nfs/dbraw/zinc/98/83/54/758988354.db2.gz QYLDSQKHFUZSOP-ARFHVFGLSA-N 1 1 341.415 0.454 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001077409984 759004211 /nfs/dbraw/zinc/00/42/11/759004211.db2.gz UVRQLJSPWNNEFQ-MKXGPGLRSA-N 1 1 342.439 0.961 20 30 ECEDMO CO[C@@H](C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C#CC3CC3)C2)nn1 ZINC001098669574 759043332 /nfs/dbraw/zinc/04/33/32/759043332.db2.gz UTHOINCNHWXPBE-BBRMVZONSA-N 1 1 331.420 0.589 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)NC)c1 ZINC001049710862 759118718 /nfs/dbraw/zinc/11/87/18/759118718.db2.gz YQEBIORWNYXELP-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)NC)c1 ZINC001049710862 759118723 /nfs/dbraw/zinc/11/87/23/759118723.db2.gz YQEBIORWNYXELP-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ncccn3)C2)nn1 ZINC001022824693 759146826 /nfs/dbraw/zinc/14/68/26/759146826.db2.gz LVEOJFKHQISCNG-RWMBFGLXSA-N 1 1 327.392 0.866 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049780086 759196206 /nfs/dbraw/zinc/19/62/06/759196206.db2.gz YXKFCMDCGZMUDJ-HPGRBHQUSA-N 1 1 344.415 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001049788956 759209171 /nfs/dbraw/zinc/20/91/71/759209171.db2.gz SXCKCBWROZYFFV-HUUCEWRRSA-N 1 1 339.399 0.643 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001105913994 762694998 /nfs/dbraw/zinc/69/49/98/762694998.db2.gz MTNBYARNCYDBQY-HIFRSBDPSA-N 1 1 331.420 0.493 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cn3cc(C)sc3n2)[C@@H](O)C1 ZINC001083602635 759247213 /nfs/dbraw/zinc/24/72/13/759247213.db2.gz FMYAMCUHDYPRJX-KGLIPLIRSA-N 1 1 334.445 0.984 20 30 ECEDMO C#CCCOc1ccc(C(=O)NCC[NH2+]Cc2ncnn2C)cc1 ZINC001127008222 759252490 /nfs/dbraw/zinc/25/24/90/759252490.db2.gz CQBXBHNPJPKQOV-UHFFFAOYSA-N 1 1 327.388 0.737 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049824469 759258867 /nfs/dbraw/zinc/25/88/67/759258867.db2.gz HHEIKUMNUJKGTM-OLZOCXBDSA-N 1 1 334.420 0.568 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049827397 759262577 /nfs/dbraw/zinc/26/25/77/759262577.db2.gz VPGXFHLYSFRULC-UONOGXRCSA-N 1 1 348.447 0.958 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049841354 759284851 /nfs/dbraw/zinc/28/48/51/759284851.db2.gz RTXITBQZSRIEAU-NWDGAFQWSA-N 1 1 346.387 0.599 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049849707 759298699 /nfs/dbraw/zinc/29/86/99/759298699.db2.gz PPWJHFYCOLGKQR-STQMWFEESA-N 1 1 328.376 0.283 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001049854378 759305874 /nfs/dbraw/zinc/30/58/74/759305874.db2.gz KVUGUWIAUCMWSM-CABCVRRESA-N 1 1 342.399 0.258 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001049854378 759305881 /nfs/dbraw/zinc/30/58/81/759305881.db2.gz KVUGUWIAUCMWSM-CABCVRRESA-N 1 1 342.399 0.258 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001049854383 759306675 /nfs/dbraw/zinc/30/66/75/759306675.db2.gz KVUGUWIAUCMWSM-LSDHHAIUSA-N 1 1 342.399 0.258 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001049854383 759306685 /nfs/dbraw/zinc/30/66/85/759306685.db2.gz KVUGUWIAUCMWSM-LSDHHAIUSA-N 1 1 342.399 0.258 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cnnn2)cc1 ZINC001049881190 759338571 /nfs/dbraw/zinc/33/85/71/759338571.db2.gz NXYMDWIZCROUEO-SJORKVTESA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001047631078 759347369 /nfs/dbraw/zinc/34/73/69/759347369.db2.gz HVVAPLAWLOMJTH-JYJNAYRXSA-N 1 1 337.464 0.713 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(C)=O)CC2(CCOCC2)C1 ZINC000991113813 759354213 /nfs/dbraw/zinc/35/42/13/759354213.db2.gz SZHABLKSZIKJCA-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(C)=O)CC2(CCOCC2)C1 ZINC000991113813 759354220 /nfs/dbraw/zinc/35/42/20/759354220.db2.gz SZHABLKSZIKJCA-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)NC)c2)C1 ZINC001047634130 759357754 /nfs/dbraw/zinc/35/77/54/759357754.db2.gz XHMFCQWBWMSOAH-HOTGVXAUSA-N 1 1 329.400 0.187 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c(C)onc3CC)C2)C1=O ZINC001032181734 759363779 /nfs/dbraw/zinc/36/37/79/759363779.db2.gz SNPFWDOYSCCJLB-OAHLLOKOSA-N 1 1 346.431 0.994 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001047636045 759366759 /nfs/dbraw/zinc/36/67/59/759366759.db2.gz LAMXNZUCWCFPQI-KKUMJFAQSA-N 1 1 333.436 0.229 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001047637467 759369954 /nfs/dbraw/zinc/36/99/54/759369954.db2.gz YKBQPLYUXDPLHQ-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001047638204 759372766 /nfs/dbraw/zinc/37/27/66/759372766.db2.gz GSXDGAPXNXHUIB-PMPSAXMXSA-N 1 1 347.463 0.619 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001049898351 759375056 /nfs/dbraw/zinc/37/50/56/759375056.db2.gz ATYFSRGJXQVONH-BFHYXJOUSA-N 1 1 327.450 0.320 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc(N(C)C)nn2)C1 ZINC001089889184 759376207 /nfs/dbraw/zinc/37/62/07/759376207.db2.gz KYCPZTPPOCVBHW-JKQORVJESA-N 1 1 339.443 0.958 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3onc(CC)c3c2)C1 ZINC001047640087 759382335 /nfs/dbraw/zinc/38/23/35/759382335.db2.gz JCHXUWIQTZWQEQ-HOTGVXAUSA-N 1 1 342.399 0.926 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(c3ccccc3OC)CC2)C1 ZINC001047647695 759402289 /nfs/dbraw/zinc/40/22/89/759402289.db2.gz IZYQQBZVCLJWRQ-HOTGVXAUSA-N 1 1 328.412 0.864 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(c3ccccc3OC)CC2)C1 ZINC001047647695 759402295 /nfs/dbraw/zinc/40/22/95/759402295.db2.gz IZYQQBZVCLJWRQ-HOTGVXAUSA-N 1 1 328.412 0.864 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001047649086 759408657 /nfs/dbraw/zinc/40/86/57/759408657.db2.gz NJZKCBKWSXEFNT-GQGLESIBSA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001047649086 759408661 /nfs/dbraw/zinc/40/86/61/759408661.db2.gz NJZKCBKWSXEFNT-GQGLESIBSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(OC)ncnc1OC ZINC001049924072 759410045 /nfs/dbraw/zinc/41/00/45/759410045.db2.gz BSYWVMGLIQOVHQ-STQMWFEESA-N 1 1 330.388 0.806 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001047650490 759411025 /nfs/dbraw/zinc/41/10/25/759411025.db2.gz YEPIKDPXKJNMPB-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001047654437 759415539 /nfs/dbraw/zinc/41/55/39/759415539.db2.gz XVBAHDZHARQBPB-IRXDYDNUSA-N 1 1 343.427 0.806 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc3nsnc32)C1 ZINC001047658103 759419079 /nfs/dbraw/zinc/41/90/79/759419079.db2.gz NAJYQVBMMCLNFI-KBPBESRZSA-N 1 1 332.429 0.923 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(OC2C[NH+](C[C@@H](C)O)C2)CC1 ZINC001105705698 759549052 /nfs/dbraw/zinc/54/90/52/759549052.db2.gz KEEXVKTUXJXKFE-DYVFJYSZSA-N 1 1 326.437 0.386 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(OC2C[NH+](C[C@@H](C)O)C2)CC1 ZINC001105705697 759549095 /nfs/dbraw/zinc/54/90/95/759549095.db2.gz KEEXVKTUXJXKFE-CXAGYDPISA-N 1 1 326.437 0.386 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001050045654 759610184 /nfs/dbraw/zinc/61/01/84/759610184.db2.gz JVFUSJSZCFSTKB-OKZBNKHCSA-N 1 1 342.443 0.580 20 30 ECEDMO C#CCN1C[C@@H]2CCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001050048364 759614713 /nfs/dbraw/zinc/61/47/13/759614713.db2.gz UELPLGVVWQKUFT-DOTOQJQBSA-N 1 1 329.448 0.614 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2CN([C@H](C)c3n[nH]c(C)n3)C2)CC1 ZINC001032207243 759630096 /nfs/dbraw/zinc/63/00/96/759630096.db2.gz JKPKNMBFVLMKIV-CYBMUJFWSA-N 1 1 344.463 0.567 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001050067767 759648243 /nfs/dbraw/zinc/64/82/43/759648243.db2.gz YJKLYKQBTOSWLH-MELADBBJSA-N 1 1 334.420 0.474 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnc4ccc(OC)nn43)[C@@H]2C1 ZINC001050077903 759664356 /nfs/dbraw/zinc/66/43/56/759664356.db2.gz GKEOUCQYXGVEFR-DZGCQCFKSA-N 1 1 339.399 0.908 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC001050084953 759676867 /nfs/dbraw/zinc/67/68/67/759676867.db2.gz QRKRUHKAJUUFKM-NWDGAFQWSA-N 1 1 337.401 0.097 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089645 759683941 /nfs/dbraw/zinc/68/39/41/759683941.db2.gz PSHCEOFZQJIPRZ-RRFJBIMHSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089645 759683946 /nfs/dbraw/zinc/68/39/46/759683946.db2.gz PSHCEOFZQJIPRZ-RRFJBIMHSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCCS3(=O)=O)[C@@H]2C1 ZINC001050106319 759716816 /nfs/dbraw/zinc/71/68/16/759716816.db2.gz NRLMCSWKFHEFSX-ARFHVFGLSA-N 1 1 338.473 0.900 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001050112897 759735083 /nfs/dbraw/zinc/73/50/83/759735083.db2.gz JOEVCCQOGBSUEZ-YNEHKIRRSA-N 1 1 326.828 0.685 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001050112897 759735087 /nfs/dbraw/zinc/73/50/87/759735087.db2.gz JOEVCCQOGBSUEZ-YNEHKIRRSA-N 1 1 326.828 0.685 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001050169700 759852057 /nfs/dbraw/zinc/85/20/57/759852057.db2.gz LMGUVGFAWJLVMS-DZGCQCFKSA-N 1 1 344.415 0.685 20 30 ECEDMO Cc1nsc(NC/C=C\CNC(=O)[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001107093810 759898729 /nfs/dbraw/zinc/89/87/29/759898729.db2.gz OFAIZDPOFMTBKI-DHCBQETCSA-N 1 1 335.433 0.738 20 30 ECEDMO Cc1nsc(NC/C=C\CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001107093810 759898739 /nfs/dbraw/zinc/89/87/39/759898739.db2.gz OFAIZDPOFMTBKI-DHCBQETCSA-N 1 1 335.433 0.738 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054291845 767900211 /nfs/dbraw/zinc/90/02/11/767900211.db2.gz GOYIHSUXIPKYBT-INIZCTEOSA-N 1 1 347.440 0.333 20 30 ECEDMO C#CCN1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)cc2C1 ZINC001054292815 767901154 /nfs/dbraw/zinc/90/11/54/767901154.db2.gz VESBOWOWMWFNCH-SFHVURJKSA-N 1 1 327.428 0.972 20 30 ECEDMO C#CCN1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)cc2C1 ZINC001054292815 767901160 /nfs/dbraw/zinc/90/11/60/767901160.db2.gz VESBOWOWMWFNCH-SFHVURJKSA-N 1 1 327.428 0.972 20 30 ECEDMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC000995646661 759923716 /nfs/dbraw/zinc/92/37/16/759923716.db2.gz DROQFJFMYZSLOZ-LBPRGKRZSA-N 1 1 328.380 0.050 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1 ZINC001050203205 759932705 /nfs/dbraw/zinc/93/27/05/759932705.db2.gz XXPUAYBAPZAQKS-LSDHHAIUSA-N 1 1 338.415 0.613 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C[C@H](C)O)C[C@H]32)CC1 ZINC001050208203 759942386 /nfs/dbraw/zinc/94/23/86/759942386.db2.gz GQCJKXSVDLDIDV-RYQLBKOJSA-N 1 1 333.476 0.635 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)CC1 ZINC001050208203 759942391 /nfs/dbraw/zinc/94/23/91/759942391.db2.gz GQCJKXSVDLDIDV-RYQLBKOJSA-N 1 1 333.476 0.635 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3ccc(C(N)=O)nc3)C2)c1 ZINC001032223979 759942762 /nfs/dbraw/zinc/94/27/62/759942762.db2.gz MMHGUTGLZVMHOM-UHFFFAOYSA-N 1 1 349.394 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001050219869 759960502 /nfs/dbraw/zinc/96/05/02/759960502.db2.gz GQAOASBLAZPYDP-LSDHHAIUSA-N 1 1 345.447 0.947 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001050297174 760078402 /nfs/dbraw/zinc/07/84/02/760078402.db2.gz LLRNLJNSEZFHPH-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCn1cc(C(=O)NC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000945380812 760125230 /nfs/dbraw/zinc/12/52/30/760125230.db2.gz DDLXQAFXUMQNPP-HNNXBMFYSA-N 1 1 346.435 0.279 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)[C@@H]2C)C1 ZINC001050346675 760157650 /nfs/dbraw/zinc/15/76/50/760157650.db2.gz KSNOTGSWBLWODD-XOKHGSTOSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)[C@@H]2C)C1 ZINC001050346675 760157653 /nfs/dbraw/zinc/15/76/53/760157653.db2.gz KSNOTGSWBLWODD-XOKHGSTOSA-N 1 1 343.431 0.757 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC001012517195 760158369 /nfs/dbraw/zinc/15/83/69/760158369.db2.gz DUJAKKTVQJVDEN-WMLDXEAASA-N 1 1 340.427 0.545 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000945398013 760215959 /nfs/dbraw/zinc/21/59/59/760215959.db2.gz ASVFVOFLKOFNAJ-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc[n+]([O-])cc2)C1=O ZINC001032264161 760424469 /nfs/dbraw/zinc/42/44/69/760424469.db2.gz VOTYVUUOSZUDBK-HRCADAONSA-N 1 1 342.399 0.006 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc[n+]([O-])cc2)C1=O ZINC001032264161 760424477 /nfs/dbraw/zinc/42/44/77/760424477.db2.gz VOTYVUUOSZUDBK-HRCADAONSA-N 1 1 342.399 0.006 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC001127045498 760440958 /nfs/dbraw/zinc/44/09/58/760440958.db2.gz CEUJMBDCWAQGPL-NSHDSACASA-N 1 1 334.401 0.000 20 30 ECEDMO N#CC[NH+]1CCC2(CN(C(=O)c3cnc4cc[nH]cc-4c3=O)C2)CC1 ZINC001050534842 760445498 /nfs/dbraw/zinc/44/54/98/760445498.db2.gz SQJJXGREWRSEIP-UHFFFAOYSA-N 1 1 337.383 0.985 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC001127051305 760494613 /nfs/dbraw/zinc/49/46/13/760494613.db2.gz FPAWFCPBDOAQHM-JTQLQIEISA-N 1 1 332.326 0.683 20 30 ECEDMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C2 ZINC001048518950 760650606 /nfs/dbraw/zinc/65/06/06/760650606.db2.gz UPPROYJFUALRMC-BZWBGLRVSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054425659 767970606 /nfs/dbraw/zinc/97/06/06/767970606.db2.gz NJWJDDKOMWFLQZ-RBSFLKMASA-N 1 1 342.447 0.618 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCOC)C1)C2 ZINC001048532118 760672456 /nfs/dbraw/zinc/67/24/56/760672456.db2.gz RYOMYORWWKNFBV-WCXIOVBPSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC3N=NC(=O)N3C1)C2 ZINC001048540537 760684939 /nfs/dbraw/zinc/68/49/39/760684939.db2.gz RBTHVEZAGHIONY-XQLPTFJDSA-N 1 1 343.431 0.539 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001048545890 760693739 /nfs/dbraw/zinc/69/37/39/760693739.db2.gz QEYFJEHJVVEBAV-APIJFGDWSA-N 1 1 326.462 0.966 20 30 ECEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001048569302 760731060 /nfs/dbraw/zinc/73/10/60/760731060.db2.gz PJRJSJCIYXVMHR-CRWXNKLISA-N 1 1 334.420 0.520 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001050734476 760753356 /nfs/dbraw/zinc/75/33/56/760753356.db2.gz AQTKXOZHKJDTCX-JKSUJKDBSA-N 1 1 337.464 0.720 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CC2CCC2)[C@@H](O)C1 ZINC001083670656 760912308 /nfs/dbraw/zinc/91/23/08/760912308.db2.gz IFFFYNLJYJHPNU-IKGGRYGDSA-N 1 1 337.464 0.225 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4COCCO4)C[C@H]3C2)c1 ZINC001048694407 760955739 /nfs/dbraw/zinc/95/57/39/760955739.db2.gz NCPBIATZFKAJLV-KSZLIROESA-N 1 1 341.411 0.864 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)Cc2cn3cc(F)ccc3n2)[C@@H](O)C1 ZINC001083674252 760994871 /nfs/dbraw/zinc/99/48/71/760994871.db2.gz SXIONVJRWFIGOK-CABCVRRESA-N 1 1 332.379 0.753 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1ccccc1C#N ZINC001050848798 760995247 /nfs/dbraw/zinc/99/52/47/760995247.db2.gz PFSVUHBHZPCKFN-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CCCCC3)C[C@@H]2C1 ZINC001048726435 761052201 /nfs/dbraw/zinc/05/22/01/761052201.db2.gz DXAPPPQZUJVIQL-KFWWJZLASA-N 1 1 332.448 0.985 20 30 ECEDMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001048733206 761069824 /nfs/dbraw/zinc/06/98/24/761069824.db2.gz CUYQRMBCJQZMQT-GASCZTMLSA-N 1 1 345.830 0.957 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@H]3C2)c1 ZINC001048748301 761107114 /nfs/dbraw/zinc/10/71/14/761107114.db2.gz FWOYSSFDEHPFQA-GASCZTMLSA-N 1 1 341.415 0.513 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)C1=O ZINC001048750207 761109767 /nfs/dbraw/zinc/10/97/67/761109767.db2.gz TVJBJLGPEIUCAL-IJEWVQPXSA-N 1 1 341.415 0.511 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1O ZINC001048754007 761117430 /nfs/dbraw/zinc/11/74/30/761117430.db2.gz JFCIVRVQVRERKL-JYJNAYRXSA-N 1 1 335.448 0.162 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001017464516 768012840 /nfs/dbraw/zinc/01/28/40/768012840.db2.gz IVDKKEQXIFGXOA-ZACQAIPSSA-N 1 1 347.459 0.804 20 30 ECEDMO C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001050954122 761213751 /nfs/dbraw/zinc/21/37/51/761213751.db2.gz QYAHIFZLCOOBGT-MSOLQXFVSA-N 1 1 349.475 0.470 20 30 ECEDMO C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001050954346 761213774 /nfs/dbraw/zinc/21/37/74/761213774.db2.gz VNJOPGPJQIHZHL-IRXDYDNUSA-N 1 1 337.464 0.633 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C/C=C/Cl ZINC001050962225 761230192 /nfs/dbraw/zinc/23/01/92/761230192.db2.gz GLUMCXKPUFNCMD-WBNAFJIESA-N 1 1 325.840 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C/C=C/Cl ZINC001050962225 761230194 /nfs/dbraw/zinc/23/01/94/761230194.db2.gz GLUMCXKPUFNCMD-WBNAFJIESA-N 1 1 325.840 0.654 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001077449283 761250166 /nfs/dbraw/zinc/25/01/66/761250166.db2.gz YFWCRBKMMOYMSB-HUUCEWRRSA-N 1 1 328.376 0.013 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001077449283 761250171 /nfs/dbraw/zinc/25/01/71/761250171.db2.gz YFWCRBKMMOYMSB-HUUCEWRRSA-N 1 1 328.376 0.013 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001030033322 761275999 /nfs/dbraw/zinc/27/59/99/761275999.db2.gz XEZBAULDNUGEOP-YESZJQIVSA-N 1 1 348.491 0.838 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1CC ZINC001050993374 761289533 /nfs/dbraw/zinc/28/95/33/761289533.db2.gz SYLWOYOWXPTZBH-CVEARBPZSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1CC ZINC001050993374 761289535 /nfs/dbraw/zinc/28/95/35/761289535.db2.gz SYLWOYOWXPTZBH-CVEARBPZSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051029609 761365061 /nfs/dbraw/zinc/36/50/61/761365061.db2.gz QVIKGZKIGKJJTN-LPMVOBIJSA-N 1 1 335.448 0.243 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)COCCOCC)CC2)C1 ZINC001105734286 761409871 /nfs/dbraw/zinc/40/98/71/761409871.db2.gz KAUUIWZGOBYRCI-UHFFFAOYSA-N 1 1 338.448 0.755 20 30 ECEDMO C=CCCN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082267 761456457 /nfs/dbraw/zinc/45/64/57/761456457.db2.gz XEHBAFKBAIHJOB-CVEARBPZSA-N 1 1 325.453 0.489 20 30 ECEDMO CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001051110094 761508122 /nfs/dbraw/zinc/50/81/22/761508122.db2.gz BFLJOHXQFJDWMP-WBVHZDCISA-N 1 1 330.432 0.594 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001077451397 761562107 /nfs/dbraw/zinc/56/21/07/761562107.db2.gz ISLXRYPTBMXEMB-BFHYXJOUSA-N 1 1 330.450 0.081 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001077451397 761562112 /nfs/dbraw/zinc/56/21/12/761562112.db2.gz ISLXRYPTBMXEMB-BFHYXJOUSA-N 1 1 330.450 0.081 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001051163340 761590639 /nfs/dbraw/zinc/59/06/39/761590639.db2.gz DPBLXMFASLKCHE-CYBMUJFWSA-N 1 1 331.376 0.442 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001051163340 761590644 /nfs/dbraw/zinc/59/06/44/761590644.db2.gz DPBLXMFASLKCHE-CYBMUJFWSA-N 1 1 331.376 0.442 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C ZINC001051196912 761668459 /nfs/dbraw/zinc/66/84/59/761668459.db2.gz OXYSZOWMXQMUQB-KBMXLJTQSA-N 1 1 338.415 0.529 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C ZINC001051196912 761668467 /nfs/dbraw/zinc/66/84/67/761668467.db2.gz OXYSZOWMXQMUQB-KBMXLJTQSA-N 1 1 338.415 0.529 20 30 ECEDMO C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001051205964 761685615 /nfs/dbraw/zinc/68/56/15/761685615.db2.gz NMWOHDFXVYGBIA-HUUCEWRRSA-N 1 1 334.420 0.747 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2Cc2ccc(C#N)cc2)C1 ZINC001051242860 761747816 /nfs/dbraw/zinc/74/78/16/761747816.db2.gz YSBQUJXOCOUXMC-ZWKOTPCHSA-N 1 1 342.443 0.827 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)cccc2C1 ZINC001051299098 761850822 /nfs/dbraw/zinc/85/08/22/761850822.db2.gz VRGUSZKTXUJEKK-DLBZAZTESA-N 1 1 341.411 0.327 20 30 ECEDMO CC#CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCC(=O)N3)cccc2C1 ZINC001051305610 761857842 /nfs/dbraw/zinc/85/78/42/761857842.db2.gz MRNZLHOKYQSFDS-KRWDZBQOSA-N 1 1 325.412 0.963 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(=O)n(CCOC)n3)CCC[C@H]12 ZINC000991708833 762869967 /nfs/dbraw/zinc/86/99/67/762869967.db2.gz JYEZXWIMNUEOJW-YJBOKZPZSA-N 1 1 344.415 0.250 20 30 ECEDMO Cc1nn[nH]c1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001051751288 762875434 /nfs/dbraw/zinc/87/54/34/762875434.db2.gz UVCDOOIEVLDGHV-NSHDSACASA-N 1 1 346.416 0.677 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001051751548 762876850 /nfs/dbraw/zinc/87/68/50/762876850.db2.gz WMMKODBEVMVICH-CVEARBPZSA-N 1 1 340.387 0.214 20 30 ECEDMO C[C@H](CCNc1ncc(C#N)cc1F)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001106293211 768092987 /nfs/dbraw/zinc/09/29/87/768092987.db2.gz BZYHZYHYKDKOKL-BXUZGUMPSA-N 1 1 335.383 0.730 20 30 ECEDMO C[C@H](CCNc1ncc(C#N)cc1F)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001106293211 768092992 /nfs/dbraw/zinc/09/29/92/768092992.db2.gz BZYHZYHYKDKOKL-BXUZGUMPSA-N 1 1 335.383 0.730 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)CC[N@H+](C)CC)n1 ZINC001105944121 762994441 /nfs/dbraw/zinc/99/44/41/762994441.db2.gz KCXMBGLYJOJONW-CYBMUJFWSA-N 1 1 334.424 0.141 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)c1 ZINC001014709797 763023411 /nfs/dbraw/zinc/02/34/11/763023411.db2.gz DCOCBYWAWOUFRV-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC001051814987 763029624 /nfs/dbraw/zinc/02/96/24/763029624.db2.gz NRUONJLWIPZYOI-CQSZACIVSA-N 1 1 346.435 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001046772931 763098522 /nfs/dbraw/zinc/09/85/22/763098522.db2.gz CNQKIVXMPJLEJA-QAPCUYQASA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cn(CC)cn3)C2)C1=O ZINC001046772931 763098525 /nfs/dbraw/zinc/09/85/25/763098525.db2.gz CNQKIVXMPJLEJA-QAPCUYQASA-N 1 1 345.447 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001046780018 763115453 /nfs/dbraw/zinc/11/54/53/763115453.db2.gz ZIZHAOMRIVTXIF-YJYMSZOUSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001046780018 763115454 /nfs/dbraw/zinc/11/54/54/763115454.db2.gz ZIZHAOMRIVTXIF-YJYMSZOUSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nccn2CC)C1 ZINC001014769282 763124691 /nfs/dbraw/zinc/12/46/91/763124691.db2.gz JXBGZDKNPDPZJJ-HOTGVXAUSA-N 1 1 329.448 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nccn2CC)C1 ZINC001014769282 763124697 /nfs/dbraw/zinc/12/46/97/763124697.db2.gz JXBGZDKNPDPZJJ-HOTGVXAUSA-N 1 1 329.448 0.691 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ncnn2CCC)C1 ZINC001014771197 763128343 /nfs/dbraw/zinc/12/83/43/763128343.db2.gz XMKFMXFFTZYMNZ-CVEARBPZSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ncnn2CCC)C1 ZINC001014771197 763128347 /nfs/dbraw/zinc/12/83/47/763128347.db2.gz XMKFMXFFTZYMNZ-CVEARBPZSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc3n(n2)CCC3)C1 ZINC001014778325 763137744 /nfs/dbraw/zinc/13/77/44/763137744.db2.gz CUJURFSRRSSPMS-YJBOKZPZSA-N 1 1 341.459 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc3n(n2)CCC3)C1 ZINC001014778325 763137751 /nfs/dbraw/zinc/13/77/51/763137751.db2.gz CUJURFSRRSSPMS-YJBOKZPZSA-N 1 1 341.459 0.617 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046829426 763188061 /nfs/dbraw/zinc/18/80/61/763188061.db2.gz DEMLULVKFJTFIP-JYJNAYRXSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046829426 763188065 /nfs/dbraw/zinc/18/80/65/763188065.db2.gz DEMLULVKFJTFIP-JYJNAYRXSA-N 1 1 343.431 0.981 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NCC2=CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001127669701 763209721 /nfs/dbraw/zinc/20/97/21/763209721.db2.gz FTNKZJANPONVQB-OAHLLOKOSA-N 1 1 340.431 0.943 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001046848812 763225103 /nfs/dbraw/zinc/22/51/03/763225103.db2.gz PVOIKCCTZZSRNM-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001046848812 763225112 /nfs/dbraw/zinc/22/51/12/763225112.db2.gz PVOIKCCTZZSRNM-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046931437 763410362 /nfs/dbraw/zinc/41/03/62/763410362.db2.gz UKACPJAHCBQVGI-PWSUYJOCSA-N 1 1 326.347 0.954 20 30 ECEDMO Cc1cc(NC2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C#N)cn1 ZINC001051944986 763413929 /nfs/dbraw/zinc/41/39/29/763413929.db2.gz YHLBBVZJYIVQFN-BBBYJDLNSA-N 1 1 327.432 0.942 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001046934110 763414209 /nfs/dbraw/zinc/41/42/09/763414209.db2.gz HMGNMDFHWXZEHJ-NSHDSACASA-N 1 1 325.363 0.713 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001046934110 763414212 /nfs/dbraw/zinc/41/42/12/763414212.db2.gz HMGNMDFHWXZEHJ-NSHDSACASA-N 1 1 325.363 0.713 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001046935713 763417902 /nfs/dbraw/zinc/41/79/02/763417902.db2.gz QNBFHGPGURBXKP-CQSZACIVSA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001046935713 763417903 /nfs/dbraw/zinc/41/79/03/763417903.db2.gz QNBFHGPGURBXKP-CQSZACIVSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2csc(COC)n2)C1 ZINC001030462021 763433348 /nfs/dbraw/zinc/43/33/48/763433348.db2.gz HTSOWAYKYUCLIN-HNNXBMFYSA-N 1 1 348.472 0.688 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2csc(COC)n2)C1 ZINC001030462021 763433357 /nfs/dbraw/zinc/43/33/57/763433357.db2.gz HTSOWAYKYUCLIN-HNNXBMFYSA-N 1 1 348.472 0.688 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001046946176 763436871 /nfs/dbraw/zinc/43/68/71/763436871.db2.gz TYHMZRSJSWNKSE-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nccn2C(F)F)C1 ZINC001030462474 763440213 /nfs/dbraw/zinc/44/02/13/763440213.db2.gz YYGGIJKXYGEKJZ-ZDUSSCGKSA-N 1 1 337.374 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nccn2C(F)F)C1 ZINC001030462474 763440217 /nfs/dbraw/zinc/44/02/17/763440217.db2.gz YYGGIJKXYGEKJZ-ZDUSSCGKSA-N 1 1 337.374 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCC[C@H](C)C2)C1 ZINC001030464339 763457273 /nfs/dbraw/zinc/45/72/73/763457273.db2.gz PREZUFJENKUASK-RDJZCZTQSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCC[C@H](C)C2)C1 ZINC001030464339 763457279 /nfs/dbraw/zinc/45/72/79/763457279.db2.gz PREZUFJENKUASK-RDJZCZTQSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(C3CCC3)no2)C1 ZINC001030464335 763457468 /nfs/dbraw/zinc/45/74/68/763457468.db2.gz PMKSQXCZBFVZSE-HNNXBMFYSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(C3CCC3)no2)C1 ZINC001030464335 763457475 /nfs/dbraw/zinc/45/74/75/763457475.db2.gz PMKSQXCZBFVZSE-HNNXBMFYSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001046960573 763467205 /nfs/dbraw/zinc/46/72/05/763467205.db2.gz MVAOJDMKVMGXRO-LJISPDSOSA-N 1 1 342.386 0.745 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001046960573 763467209 /nfs/dbraw/zinc/46/72/09/763467209.db2.gz MVAOJDMKVMGXRO-LJISPDSOSA-N 1 1 342.386 0.745 20 30 ECEDMO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)nn1 ZINC001105995124 763482575 /nfs/dbraw/zinc/48/25/75/763482575.db2.gz NJZDLAAZHKTMAJ-OLZOCXBDSA-N 1 1 341.375 0.011 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001046969011 763486324 /nfs/dbraw/zinc/48/63/24/763486324.db2.gz TVRKMRQSHBXUJX-MELADBBJSA-N 1 1 341.402 0.807 20 30 ECEDMO C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001046981942 763504719 /nfs/dbraw/zinc/50/47/19/763504719.db2.gz UXFLRDCDBFJMEW-MNOVXSKESA-N 1 1 344.362 0.234 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001046985935 763516224 /nfs/dbraw/zinc/51/62/24/763516224.db2.gz KVZYPWGPALKDOG-QWHCGFSZSA-N 1 1 342.390 0.626 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001046985935 763516228 /nfs/dbraw/zinc/51/62/28/763516228.db2.gz KVZYPWGPALKDOG-QWHCGFSZSA-N 1 1 342.390 0.626 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001046991412 763525490 /nfs/dbraw/zinc/52/54/90/763525490.db2.gz FVPNPLJLWQZLEN-CABCVRRESA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001046991412 763525494 /nfs/dbraw/zinc/52/54/94/763525494.db2.gz FVPNPLJLWQZLEN-CABCVRRESA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001046994043 763531201 /nfs/dbraw/zinc/53/12/01/763531201.db2.gz GUYJCLLLYUHZFV-QWHCGFSZSA-N 1 1 337.374 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001046994043 763531207 /nfs/dbraw/zinc/53/12/07/763531207.db2.gz GUYJCLLLYUHZFV-QWHCGFSZSA-N 1 1 337.374 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001046995949 763535508 /nfs/dbraw/zinc/53/55/08/763535508.db2.gz NQUASCYPUOVPQL-LBPRGKRZSA-N 1 1 336.342 0.501 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001046995949 763535514 /nfs/dbraw/zinc/53/55/14/763535514.db2.gz NQUASCYPUOVPQL-LBPRGKRZSA-N 1 1 336.342 0.501 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001046997021 763539760 /nfs/dbraw/zinc/53/97/60/763539760.db2.gz SHGPRZBRJKPQAO-KBPBESRZSA-N 1 1 345.390 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC000941058051 763597027 /nfs/dbraw/zinc/59/70/27/763597027.db2.gz BCBFYAIKBNMBOW-KNIAUWFNSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC000941058051 763597032 /nfs/dbraw/zinc/59/70/32/763597032.db2.gz BCBFYAIKBNMBOW-KNIAUWFNSA-N 1 1 333.432 0.226 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3nccc(C)n3)C2)CC1 ZINC001052022364 763606958 /nfs/dbraw/zinc/60/69/58/763606958.db2.gz UMHYPIQUZHPNAL-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001047061841 763611881 /nfs/dbraw/zinc/61/18/81/763611881.db2.gz GRGPDTQHLCVIDZ-ZQDZILKHSA-N 1 1 342.447 0.807 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)CC1 ZINC001052026158 763618649 /nfs/dbraw/zinc/61/86/49/763618649.db2.gz AYBZHYCIWVSGTR-BZUAXINKSA-N 1 1 334.464 0.306 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)CC1 ZINC001052026158 763618654 /nfs/dbraw/zinc/61/86/54/763618654.db2.gz AYBZHYCIWVSGTR-BZUAXINKSA-N 1 1 334.464 0.306 20 30 ECEDMO C[C@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)c1ccnn1C ZINC001052030169 763627427 /nfs/dbraw/zinc/62/74/27/763627427.db2.gz ISVOQCYUCWPJTG-GJZGRUSLSA-N 1 1 330.436 0.266 20 30 ECEDMO CC#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052031458 763632356 /nfs/dbraw/zinc/63/23/56/763632356.db2.gz OMLHMAOECAQLEM-FGTMMUONSA-N 1 1 332.492 0.568 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnn3C(F)F)C2)CC1 ZINC001052032315 763633223 /nfs/dbraw/zinc/63/32/23/763633223.db2.gz FLXMVLZPSIIMSC-CYBMUJFWSA-N 1 1 337.374 0.744 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cncs3)C2)CC1 ZINC001052041422 763666897 /nfs/dbraw/zinc/66/68/97/763666897.db2.gz HSLDORJFFNBPNN-OAHLLOKOSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052044738 763680293 /nfs/dbraw/zinc/68/02/93/763680293.db2.gz LDGARJQHGXWWQH-ROUUACIJSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052044738 763680299 /nfs/dbraw/zinc/68/02/99/763680299.db2.gz LDGARJQHGXWWQH-ROUUACIJSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C3CCC(C(N)=O)CC3)C2)CC1 ZINC001052045658 763683075 /nfs/dbraw/zinc/68/30/75/763683075.db2.gz VWLGYEKISUTBTK-JCYILVPMSA-N 1 1 346.475 0.130 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)CC1 ZINC001052048122 763693527 /nfs/dbraw/zinc/69/35/27/763693527.db2.gz LPHKGEKOEFHKKQ-KRWDZBQOSA-N 1 1 342.443 0.241 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052048531 763696237 /nfs/dbraw/zinc/69/62/37/763696237.db2.gz WXQCGSNHGBHNDK-MSOLQXFVSA-N 1 1 347.507 0.849 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(OCC)no3)C2)CC1 ZINC001052048740 763697739 /nfs/dbraw/zinc/69/77/39/763697739.db2.gz CYXQHUSQKKIEEN-OAHLLOKOSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc(OC)c3)C2)CC1 ZINC001052048609 763697864 /nfs/dbraw/zinc/69/78/64/763697864.db2.gz YYVIHDMQBOUMCK-INIZCTEOSA-N 1 1 328.416 0.556 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc4nccn43)C2)CC1 ZINC001052049682 763702455 /nfs/dbraw/zinc/70/24/55/763702455.db2.gz NWIZCVCVOUKIIY-INIZCTEOSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncc4ccccn43)C2)CC1 ZINC001052052563 763715015 /nfs/dbraw/zinc/71/50/15/763715015.db2.gz QBCRPDPDYGDABQ-KRWDZBQOSA-N 1 1 337.427 0.800 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(CCF)c3)C2)C1=O ZINC001015037701 763722055 /nfs/dbraw/zinc/72/20/55/763722055.db2.gz KQQRPGDBVWKTQI-HUUCEWRRSA-N 1 1 349.410 0.444 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(CCF)c3)C2)C1=O ZINC001015037701 763722063 /nfs/dbraw/zinc/72/20/63/763722063.db2.gz KQQRPGDBVWKTQI-HUUCEWRRSA-N 1 1 349.410 0.444 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc(CC)nn3C)C2)CC1 ZINC001052056207 763727556 /nfs/dbraw/zinc/72/75/56/763727556.db2.gz TYSBUWSDIIJCFY-QGZVFWFLSA-N 1 1 345.491 0.930 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cc(CC)nn3C)C2)CC1 ZINC001052056207 763727560 /nfs/dbraw/zinc/72/75/60/763727560.db2.gz TYSBUWSDIIJCFY-QGZVFWFLSA-N 1 1 345.491 0.930 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCO)C3)nn1 ZINC001047157794 763739263 /nfs/dbraw/zinc/73/92/63/763739263.db2.gz LDKAITOIWUJTJA-KKUMJFAQSA-N 1 1 333.436 0.819 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)nc3OC)C2)CC1 ZINC001052061067 763742659 /nfs/dbraw/zinc/74/26/59/763742659.db2.gz ROYMJZIULWVZGE-CQSZACIVSA-N 1 1 333.436 0.447 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2cnon2)C3)nn1 ZINC001047159337 763743687 /nfs/dbraw/zinc/74/36/87/763743687.db2.gz DKPKYSSDMCUTMT-SCRDCRAPSA-N 1 1 343.391 0.630 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cnon2)C3)nn1 ZINC001047159337 763743691 /nfs/dbraw/zinc/74/36/91/763743691.db2.gz DKPKYSSDMCUTMT-SCRDCRAPSA-N 1 1 343.391 0.630 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCc4cccnc43)C2)CC1 ZINC001052068628 763763316 /nfs/dbraw/zinc/76/33/16/763763316.db2.gz LLAVPPHXKDELBF-MSOLQXFVSA-N 1 1 338.455 0.963 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001052068657 763763545 /nfs/dbraw/zinc/76/35/45/763763545.db2.gz MBAUWIQWTDMABE-MOPGFXCFSA-N 1 1 346.519 0.960 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3Cc4ccncc4C3)C2)CC1 ZINC001052084689 763810298 /nfs/dbraw/zinc/81/02/98/763810298.db2.gz XAQWWVWVEAPKIR-WMZOPIPTSA-N 1 1 339.443 0.538 20 30 ECEDMO C=CCC[NH+]1CCN([C@H]2CCN(C(=O)CCc3c[nH]nn3)C2)CC1 ZINC001052086945 763816111 /nfs/dbraw/zinc/81/61/11/763816111.db2.gz LORPIBHGHZGDJK-INIZCTEOSA-N 1 1 332.452 0.532 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2C[NH+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC001031963411 763826508 /nfs/dbraw/zinc/82/65/08/763826508.db2.gz NFVLZHFFZWBBFS-MRXNPFEDSA-N 1 1 326.400 0.345 20 30 ECEDMO CCc1ccc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nc1 ZINC001052092353 763833244 /nfs/dbraw/zinc/83/32/44/763833244.db2.gz YVKUZHGYIKJZPS-SFHVURJKSA-N 1 1 341.459 0.929 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](N3CC[NH+](CC#CC)CC3)C2)nn1 ZINC001052092957 763834539 /nfs/dbraw/zinc/83/45/39/763834539.db2.gz HTJCAWYUJRINOL-MRXNPFEDSA-N 1 1 342.447 0.320 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C2)CC1 ZINC001052097553 763851825 /nfs/dbraw/zinc/85/18/25/763851825.db2.gz ZNXAGTAMIBYIFW-BZSNNMDCSA-N 1 1 331.460 0.819 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4ncccn4n3)C2)CC1 ZINC001052099533 763858690 /nfs/dbraw/zinc/85/86/90/763858690.db2.gz MBDUTKOBDRXACP-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)COc3ccsc3)C2)CC1 ZINC001052108514 763891144 /nfs/dbraw/zinc/89/11/44/763891144.db2.gz NVRHQVXQXZLOMY-AWEZNQCLSA-N 1 1 334.445 0.869 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)CC1 ZINC001052109679 763896934 /nfs/dbraw/zinc/89/69/34/763896934.db2.gz GIEJRBHSGSLNFM-MSOLQXFVSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4cc[nH]c34)C2)CC1 ZINC001052112223 763906533 /nfs/dbraw/zinc/90/65/33/763906533.db2.gz PVFRFDXRACLBFZ-CQSZACIVSA-N 1 1 326.404 0.128 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113056 763911296 /nfs/dbraw/zinc/91/12/96/763911296.db2.gz LFJKNYWNMWRGOF-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113056 763911300 /nfs/dbraw/zinc/91/13/00/763911300.db2.gz LFJKNYWNMWRGOF-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CN3CCCCCC3=O)C2)CC1 ZINC001052116952 763925797 /nfs/dbraw/zinc/92/57/97/763925797.db2.gz CAQDVONMLVZINL-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccnc3N(C)C)C2)CC1 ZINC001052117276 763926728 /nfs/dbraw/zinc/92/67/28/763926728.db2.gz JIWMABYMIABMRJ-MRXNPFEDSA-N 1 1 341.459 0.613 20 30 ECEDMO Cc1cc(=O)[nH]c(C)c1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052118960 763933156 /nfs/dbraw/zinc/93/31/56/763933156.db2.gz DUVKYPHDHDNAQB-HNNXBMFYSA-N 1 1 343.431 0.760 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052119047 763934868 /nfs/dbraw/zinc/93/48/68/763934868.db2.gz IEFFYTKVMORNOQ-NVXWUHKLSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCn3cc(Cl)cn3)C2)CC1 ZINC001052119794 763938157 /nfs/dbraw/zinc/93/81/57/763938157.db2.gz VWKUZEHEVJJAHE-MRXNPFEDSA-N 1 1 349.866 0.778 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2CC(Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001052124871 763952894 /nfs/dbraw/zinc/95/28/94/763952894.db2.gz YEUOUCIJRCEHGB-BLYZHGLHSA-N 1 1 328.420 0.417 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C2)CC1 ZINC001052125591 763955143 /nfs/dbraw/zinc/95/51/43/763955143.db2.gz WNJVJKLGTVLZDS-HNNXBMFYSA-N 1 1 343.431 0.199 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C3CCOCC3)C2)CC1 ZINC001052127343 763955821 /nfs/dbraw/zinc/95/58/21/763955821.db2.gz VUPHXCKCBUVBNL-WMZOPIPTSA-N 1 1 333.476 0.901 20 30 ECEDMO CN(C(=O)c1ccnn1C)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047323188 763995750 /nfs/dbraw/zinc/99/57/50/763995750.db2.gz QESGQKOZSINVSO-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO CN(C(=O)c1ccnn1C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047323188 763995755 /nfs/dbraw/zinc/99/57/55/763995755.db2.gz QESGQKOZSINVSO-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO CN(C(=O)c1cncnc1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047356688 764098306 /nfs/dbraw/zinc/09/83/06/764098306.db2.gz DZUASTMVMHYQRW-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)c1cncnc1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047356688 764098313 /nfs/dbraw/zinc/09/83/13/764098313.db2.gz DZUASTMVMHYQRW-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnsn3)CC2)C1=O ZINC001052230658 764100497 /nfs/dbraw/zinc/10/04/97/764100497.db2.gz FQWASGJZXGUEJA-OCCSQVGLSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777838 764106642 /nfs/dbraw/zinc/10/66/42/764106642.db2.gz OVLQLFNVZXZAQH-JKIFEVAISA-N 1 1 327.444 0.936 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777838 764106649 /nfs/dbraw/zinc/10/66/49/764106649.db2.gz OVLQLFNVZXZAQH-JKIFEVAISA-N 1 1 327.444 0.936 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777838 764106659 /nfs/dbraw/zinc/10/66/59/764106659.db2.gz OVLQLFNVZXZAQH-JKIFEVAISA-N 1 1 327.444 0.936 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777838 764106663 /nfs/dbraw/zinc/10/66/63/764106663.db2.gz OVLQLFNVZXZAQH-JKIFEVAISA-N 1 1 327.444 0.936 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CN3CCCCS3(=O)=O)CCC[C@H]12 ZINC000991864215 764112674 /nfs/dbraw/zinc/11/26/74/764112674.db2.gz UUKBOIFIGZVGRJ-HOCLYGCPSA-N 1 1 341.477 0.711 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ccon3)CC2)C1=O ZINC001052260952 764149614 /nfs/dbraw/zinc/14/96/14/764149614.db2.gz QYGISCLAXOWUIG-ZBFHGGJFSA-N 1 1 346.431 0.975 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC001089866600 764168591 /nfs/dbraw/zinc/16/85/91/764168591.db2.gz DDUUMMCFNKHAGK-OWLYRPNTSA-N 1 1 341.459 0.940 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnc(OC)n3)C2)C1=O ZINC001015223413 764180761 /nfs/dbraw/zinc/18/07/61/764180761.db2.gz DEHVQMFKGNLVKJ-OCCSQVGLSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccnc(OC)n3)C2)C1=O ZINC001015223413 764180765 /nfs/dbraw/zinc/18/07/65/764180765.db2.gz DEHVQMFKGNLVKJ-OCCSQVGLSA-N 1 1 345.403 0.076 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 ZINC001047388108 764186048 /nfs/dbraw/zinc/18/60/48/764186048.db2.gz DCDWGYOMUPHKMA-IKGGRYGDSA-N 1 1 345.447 0.317 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047392572 764198389 /nfs/dbraw/zinc/19/83/89/764198389.db2.gz OOJAFVIDCLDURJ-JYJNAYRXSA-N 1 1 335.448 0.325 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047392572 764198393 /nfs/dbraw/zinc/19/83/93/764198393.db2.gz OOJAFVIDCLDURJ-JYJNAYRXSA-N 1 1 335.448 0.325 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)c[nH]1 ZINC001052314025 764234877 /nfs/dbraw/zinc/23/48/77/764234877.db2.gz FXRWFSKFFFDBJH-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNc1cc(COC)ncn1 ZINC001106985571 764241079 /nfs/dbraw/zinc/24/10/79/764241079.db2.gz WKMVSYDSPPXZKX-INIZCTEOSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNc1cc(COC)ncn1 ZINC001106985571 764241085 /nfs/dbraw/zinc/24/10/85/764241085.db2.gz WKMVSYDSPPXZKX-INIZCTEOSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001047413025 764264790 /nfs/dbraw/zinc/26/47/90/764264790.db2.gz RZLHSTPLWSTMOY-KBPBESRZSA-N 1 1 328.372 0.409 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001047412601 764264824 /nfs/dbraw/zinc/26/48/24/764264824.db2.gz ATGCHTAPYRHJMG-MPGHIAIKSA-N 1 1 335.448 0.372 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001047412601 764264827 /nfs/dbraw/zinc/26/48/27/764264827.db2.gz ATGCHTAPYRHJMG-MPGHIAIKSA-N 1 1 335.448 0.372 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC001032044447 764276171 /nfs/dbraw/zinc/27/61/71/764276171.db2.gz WVFBYVQQWVMNHM-RDJZCZTQSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(C)cc2=O)C1 ZINC001047419202 764286771 /nfs/dbraw/zinc/28/67/71/764286771.db2.gz TXKZVMSMBOHXPV-RDJZCZTQSA-N 1 1 333.432 0.777 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC(F)F)n2)C1 ZINC001047419334 764288157 /nfs/dbraw/zinc/28/81/57/764288157.db2.gz HSLZQVIIJRGNJK-STQMWFEESA-N 1 1 328.363 0.841 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2-n2ccnn2)C1 ZINC001047422504 764297652 /nfs/dbraw/zinc/29/76/52/764297652.db2.gz WBAPZRQRPURILR-KBPBESRZSA-N 1 1 345.428 0.469 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2-n2ccnn2)C1 ZINC001047422504 764297660 /nfs/dbraw/zinc/29/76/60/764297660.db2.gz WBAPZRQRPURILR-KBPBESRZSA-N 1 1 345.428 0.469 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)C1 ZINC001106069078 764298171 /nfs/dbraw/zinc/29/81/71/764298171.db2.gz LCTJUTUODADNAD-HIFRSBDPSA-N 1 1 346.435 0.359 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083778602 764302381 /nfs/dbraw/zinc/30/23/81/764302381.db2.gz RDEWFYXTZJHBPA-QGTPRVQTSA-N 1 1 342.443 0.704 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001047427473 764313423 /nfs/dbraw/zinc/31/34/23/764313423.db2.gz SYIBTMFXILQOSN-IRXDYDNUSA-N 1 1 343.427 0.656 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001047432721 764328967 /nfs/dbraw/zinc/32/89/67/764328967.db2.gz ZVUHHNAGVRNGQR-HOTGVXAUSA-N 1 1 343.431 0.217 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001047432721 764328977 /nfs/dbraw/zinc/32/89/77/764328977.db2.gz ZVUHHNAGVRNGQR-HOTGVXAUSA-N 1 1 343.431 0.217 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2-n2cnnn2)C1 ZINC001047438272 764344586 /nfs/dbraw/zinc/34/45/86/764344586.db2.gz GCNKLLROOJPXKJ-STQMWFEESA-N 1 1 348.432 0.417 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ncc[nH]3)CC2)C1=O ZINC001052370619 764347932 /nfs/dbraw/zinc/34/79/32/764347932.db2.gz CWGVIPIBSWMOSU-KBPBESRZSA-N 1 1 331.420 0.781 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001047446793 764371719 /nfs/dbraw/zinc/37/17/19/764371719.db2.gz BRNZKFOJAUYSME-KKUMJFAQSA-N 1 1 344.477 0.281 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001047446793 764371726 /nfs/dbraw/zinc/37/17/26/764371726.db2.gz BRNZKFOJAUYSME-KKUMJFAQSA-N 1 1 344.477 0.281 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001047446792 764372680 /nfs/dbraw/zinc/37/26/80/764372680.db2.gz BRNZKFOJAUYSME-ILXRZTDVSA-N 1 1 344.477 0.281 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001047446792 764372687 /nfs/dbraw/zinc/37/26/87/764372687.db2.gz BRNZKFOJAUYSME-ILXRZTDVSA-N 1 1 344.477 0.281 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(N3CCCC3)ccn2)C1 ZINC001047448324 764377424 /nfs/dbraw/zinc/37/74/24/764377424.db2.gz NEKSQSHUHKONRP-ROUUACIJSA-N 1 1 342.443 0.822 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001047456817 764399556 /nfs/dbraw/zinc/39/95/56/764399556.db2.gz XTRVYLOICBKXEN-XIRDDKMYSA-N 1 1 346.402 0.904 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccc(C)cn23)C1 ZINC001047457774 764404128 /nfs/dbraw/zinc/40/41/28/764404128.db2.gz MXCWEOVYEAOADT-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnc3ccccc3n2)C1 ZINC001047458612 764407933 /nfs/dbraw/zinc/40/79/33/764407933.db2.gz WOMBUCULWXWWAL-GJZGRUSLSA-N 1 1 327.388 0.718 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC001088912476 764431716 /nfs/dbraw/zinc/43/17/16/764431716.db2.gz ACIMQEGAOCYWKD-KGLIPLIRSA-N 1 1 334.424 0.334 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)[C@@H]1C ZINC001088914293 764435779 /nfs/dbraw/zinc/43/57/79/764435779.db2.gz USRJQMVNIUHDPE-AESZEHBQSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)[C@@H]1C ZINC001088914293 764435786 /nfs/dbraw/zinc/43/57/86/764435786.db2.gz USRJQMVNIUHDPE-AESZEHBQSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001047471042 764436920 /nfs/dbraw/zinc/43/69/20/764436920.db2.gz IFGCWHWEPWJODO-MJBXVCDLSA-N 1 1 347.406 0.032 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ccc(C)cc2=O)C1 ZINC001089872764 764437920 /nfs/dbraw/zinc/43/79/20/764437920.db2.gz JMJYIHZAXLIOMF-XSLAGTTESA-N 1 1 339.439 0.959 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001047477821 764459030 /nfs/dbraw/zinc/45/90/30/764459030.db2.gz IUOVSIDOVKQKNT-HOTGVXAUSA-N 1 1 343.431 0.970 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001077480004 764464886 /nfs/dbraw/zinc/46/48/86/764464886.db2.gz FYSUIPZBQJIPNL-NUEKZKHPSA-N 1 1 327.384 0.297 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001077480004 764464892 /nfs/dbraw/zinc/46/48/92/764464892.db2.gz FYSUIPZBQJIPNL-NUEKZKHPSA-N 1 1 327.384 0.297 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)cc1 ZINC001047480998 764472342 /nfs/dbraw/zinc/47/23/42/764472342.db2.gz UBGCIWHAOJRYJV-IRXDYDNUSA-N 1 1 339.399 0.077 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)cc1 ZINC001047480998 764472345 /nfs/dbraw/zinc/47/23/45/764472345.db2.gz UBGCIWHAOJRYJV-IRXDYDNUSA-N 1 1 339.399 0.077 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cn(C(C)C)nn3)C2)C1=O ZINC001032079392 764488316 /nfs/dbraw/zinc/48/83/16/764488316.db2.gz FCXINHHUDHPUND-OAHLLOKOSA-N 1 1 346.435 0.308 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001015381473 764489379 /nfs/dbraw/zinc/48/93/79/764489379.db2.gz GYDHMGGUQBALFL-CYBMUJFWSA-N 1 1 327.392 0.828 20 30 ECEDMO CN(C(=O)[C@@]1(F)CCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047503148 764533194 /nfs/dbraw/zinc/53/31/94/764533194.db2.gz WQBZRLWPRCLTEA-XYJFISCASA-N 1 1 347.390 0.690 20 30 ECEDMO CN(C(=O)[C@@]1(F)CCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047503148 764533197 /nfs/dbraw/zinc/53/31/97/764533197.db2.gz WQBZRLWPRCLTEA-XYJFISCASA-N 1 1 347.390 0.690 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047504093 764535738 /nfs/dbraw/zinc/53/57/38/764535738.db2.gz ZUYWIFOMHMLHBT-RDBSUJKOSA-N 1 1 347.381 0.397 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccnn2C)CC1 ZINC001052456976 764539842 /nfs/dbraw/zinc/53/98/42/764539842.db2.gz MNRQWHBBZWBPGK-AEFFLSMTSA-N 1 1 343.475 0.988 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001047512321 764555599 /nfs/dbraw/zinc/55/55/99/764555599.db2.gz NWQHUTKNYLDVLJ-PMPSAXMXSA-N 1 1 335.448 0.515 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001047512321 764555602 /nfs/dbraw/zinc/55/56/02/764555602.db2.gz NWQHUTKNYLDVLJ-PMPSAXMXSA-N 1 1 335.448 0.515 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766843 764571745 /nfs/dbraw/zinc/57/17/45/764571745.db2.gz HGZVBEPZUUCJBC-HOCLYGCPSA-N 1 1 330.436 0.116 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001089876557 764607412 /nfs/dbraw/zinc/60/74/12/764607412.db2.gz ULGNMUDJHUORNS-TUUVXOQKSA-N 1 1 343.427 0.231 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047529935 764609082 /nfs/dbraw/zinc/60/90/82/764609082.db2.gz WBFLFWOSUHCYMA-UGUYLWEFSA-N 1 1 334.420 0.015 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047529935 764609088 /nfs/dbraw/zinc/60/90/88/764609088.db2.gz WBFLFWOSUHCYMA-UGUYLWEFSA-N 1 1 334.420 0.015 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001052501488 764627297 /nfs/dbraw/zinc/62/72/97/764627297.db2.gz DOWRCVGONODMLJ-MRXNPFEDSA-N 1 1 336.480 0.697 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nc2ncccn2n1 ZINC001089878613 764629931 /nfs/dbraw/zinc/62/99/31/764629931.db2.gz PPQVBMLIOYGQQG-XGUBFFRZSA-N 1 1 336.399 0.540 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)nn(C)c3C)C2)C1=O ZINC001015447663 764658696 /nfs/dbraw/zinc/65/86/96/764658696.db2.gz SDKQQNWAXNRVSY-GJZGRUSLSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)nn(C)c3C)C2)C1=O ZINC001015447663 764658703 /nfs/dbraw/zinc/65/87/03/764658703.db2.gz SDKQQNWAXNRVSY-GJZGRUSLSA-N 1 1 345.447 0.628 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001047548704 764661332 /nfs/dbraw/zinc/66/13/32/764661332.db2.gz HCVWPQGIQFRSQC-YQQAZPJKSA-N 1 1 332.375 0.656 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc(OC)ccc23)C1 ZINC001047567286 764711481 /nfs/dbraw/zinc/71/14/81/764711481.db2.gz BDZLUUMLRYHNHX-HOTGVXAUSA-N 1 1 328.372 0.093 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc(OC)ccc23)C1 ZINC001047567286 764711491 /nfs/dbraw/zinc/71/14/91/764711491.db2.gz BDZLUUMLRYHNHX-HOTGVXAUSA-N 1 1 328.372 0.093 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(cnn3C)c2)C1 ZINC001047576453 764748304 /nfs/dbraw/zinc/74/83/04/764748304.db2.gz LABHSTKOJGEXHR-GJZGRUSLSA-N 1 1 329.404 0.662 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cn(CC)cn3)C2)C1=O ZINC001032132370 764768852 /nfs/dbraw/zinc/76/88/52/764768852.db2.gz VOJFXXLBVNRMHR-HNNXBMFYSA-N 1 1 331.420 0.352 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015503190 764816669 /nfs/dbraw/zinc/81/66/69/764816669.db2.gz IUIULIGJGMBEKB-HUUCEWRRSA-N 1 1 342.399 0.393 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001015503190 764816677 /nfs/dbraw/zinc/81/66/77/764816677.db2.gz IUIULIGJGMBEKB-HUUCEWRRSA-N 1 1 342.399 0.393 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC001047609801 764870434 /nfs/dbraw/zinc/87/04/34/764870434.db2.gz LKWIUSRRMNFWDU-JYJNAYRXSA-N 1 1 337.464 0.905 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cn2)OCCC3)C1 ZINC001047611444 764876282 /nfs/dbraw/zinc/87/62/82/764876282.db2.gz FJHRUQSZMWIXST-HOTGVXAUSA-N 1 1 329.400 0.547 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001052639989 764915945 /nfs/dbraw/zinc/91/59/45/764915945.db2.gz DVLJDDJFAIBNGR-GOEBONIOSA-N 1 1 346.431 0.442 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1=O ZINC001015549697 764935464 /nfs/dbraw/zinc/93/54/64/764935464.db2.gz PWGGVPJKFNLLPH-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1=O ZINC001015549697 764935469 /nfs/dbraw/zinc/93/54/69/764935469.db2.gz PWGGVPJKFNLLPH-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001015553502 764948523 /nfs/dbraw/zinc/94/85/23/764948523.db2.gz YLXMYTJERNNNGZ-ZIAGYGMSSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001015553502 764948530 /nfs/dbraw/zinc/94/85/30/764948530.db2.gz YLXMYTJERNNNGZ-ZIAGYGMSSA-N 1 1 331.420 0.320 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)c1 ZINC001052670410 764969748 /nfs/dbraw/zinc/96/97/48/764969748.db2.gz FMYJGMUCXLHOOS-HOTGVXAUSA-N 1 1 341.415 0.710 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)CC2)c1 ZINC001052695018 764998349 /nfs/dbraw/zinc/99/83/49/764998349.db2.gz FPEOIZAHNCOLAO-CVEARBPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)CC2)c1 ZINC001052692814 764998477 /nfs/dbraw/zinc/99/84/77/764998477.db2.gz BEFUEMPDCKPHIU-INIZCTEOSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)CC2)c1 ZINC001052692814 764998482 /nfs/dbraw/zinc/99/84/82/764998482.db2.gz BEFUEMPDCKPHIU-INIZCTEOSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC001052699487 765005420 /nfs/dbraw/zinc/00/54/20/765005420.db2.gz XYJYIXKMCJRIPZ-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC001052699496 765006604 /nfs/dbraw/zinc/00/66/04/765006604.db2.gz XYJYIXKMCJRIPZ-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cnnn4)cn3)CCC[C@H]12 ZINC000991976023 765027643 /nfs/dbraw/zinc/02/76/43/765027643.db2.gz QDJXCRWXPBDEOF-DOTOQJQBSA-N 1 1 337.387 0.417 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@H]12 ZINC000991976135 765029144 /nfs/dbraw/zinc/02/91/44/765029144.db2.gz QOUVDPZFJSZBMX-MPGHIAIKSA-N 1 1 341.415 0.502 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001015612112 765060572 /nfs/dbraw/zinc/06/05/72/765060572.db2.gz RWRKMNXHIKBQHG-UONOGXRCSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001015612112 765060576 /nfs/dbraw/zinc/06/05/76/765060576.db2.gz RWRKMNXHIKBQHG-UONOGXRCSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)nn1 ZINC001052778384 765104666 /nfs/dbraw/zinc/10/46/66/765104666.db2.gz JNZUSUQQVDPOQE-HIFRSBDPSA-N 1 1 348.451 0.702 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001052783171 765112094 /nfs/dbraw/zinc/11/20/94/765112094.db2.gz PHYKHCOMCKNZJK-CABCVRRESA-N 1 1 325.453 0.740 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786268 765118941 /nfs/dbraw/zinc/11/89/41/765118941.db2.gz SFXXBRXONWFYDE-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CCC(=O)N1 ZINC001015663483 765138329 /nfs/dbraw/zinc/13/83/29/765138329.db2.gz SYFWSMHURFRPRG-YJBOKZPZSA-N 1 1 326.400 0.917 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](C[C@H](O)CN3C(=O)CCC3=O)C2)C1 ZINC001015671270 765144809 /nfs/dbraw/zinc/14/48/09/765144809.db2.gz WYQQUXAOQYIOPF-KBPBESRZSA-N 1 1 349.431 0.043 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992027499 765203912 /nfs/dbraw/zinc/20/39/12/765203912.db2.gz FHGOSXVSJKACDA-OJLVUWQFSA-N 1 1 335.448 0.635 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 ZINC001015711593 765212077 /nfs/dbraw/zinc/21/20/77/765212077.db2.gz LSUTYKIDSRIMIQ-BMFZPTHFSA-N 1 1 342.399 0.401 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC001052843296 765215335 /nfs/dbraw/zinc/21/53/35/765215335.db2.gz JPZBBKLONZVOSU-ZDUSSCGKSA-N 1 1 336.436 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)CC1 ZINC001052849794 765223863 /nfs/dbraw/zinc/22/38/63/765223863.db2.gz FKXHIWODVSFEPV-AWEZNQCLSA-N 1 1 331.420 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3nc[nH]n3)CC2)C1=O ZINC001052854149 765234849 /nfs/dbraw/zinc/23/48/49/765234849.db2.gz YNUGXDVNAOTBCR-ZIAGYGMSSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3nnc[nH]3)CC2)C1=O ZINC001052854149 765234854 /nfs/dbraw/zinc/23/48/54/765234854.db2.gz YNUGXDVNAOTBCR-ZIAGYGMSSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3nnc[nH]3)CC2)C1=O ZINC001052854149 765234857 /nfs/dbraw/zinc/23/48/57/765234857.db2.gz YNUGXDVNAOTBCR-ZIAGYGMSSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)nn3CC)C2)C1=O ZINC001015744625 765261449 /nfs/dbraw/zinc/26/14/49/765261449.db2.gz JAWOICWABWKMDH-GJZGRUSLSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nn3CC)C2)C1=O ZINC001015744625 765261452 /nfs/dbraw/zinc/26/14/52/765261452.db2.gz JAWOICWABWKMDH-GJZGRUSLSA-N 1 1 345.447 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)CC2)nc1 ZINC001052874716 765275665 /nfs/dbraw/zinc/27/56/65/765275665.db2.gz IMVANMZLGKGBPI-HNNXBMFYSA-N 1 1 328.416 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC001052877747 765283598 /nfs/dbraw/zinc/28/35/98/765283598.db2.gz UTEMJLFQNOEYPL-ZDUSSCGKSA-N 1 1 325.368 0.788 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)nn1 ZINC001015810544 765368800 /nfs/dbraw/zinc/36/88/00/765368800.db2.gz LYWZHWYJWLEOPB-KGLIPLIRSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCCc3nc(C)no3)C2)nn1 ZINC001015811584 765371273 /nfs/dbraw/zinc/37/12/73/765371273.db2.gz IVFHZINEHFWOGN-ZDUSSCGKSA-N 1 1 345.407 0.592 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015834888 765405664 /nfs/dbraw/zinc/40/56/64/765405664.db2.gz MPQXICVHRRTLCM-HOTGVXAUSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001015834888 765405670 /nfs/dbraw/zinc/40/56/70/765405670.db2.gz MPQXICVHRRTLCM-HOTGVXAUSA-N 1 1 326.400 0.917 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(CC(=O)NC)CC2)CC1 ZINC001052959489 765416216 /nfs/dbraw/zinc/41/62/16/765416216.db2.gz VSDUOPZEQUCUAV-INIZCTEOSA-N 1 1 334.464 0.048 20 30 ECEDMO Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)cn1 ZINC001052986719 765463431 /nfs/dbraw/zinc/46/34/31/765463431.db2.gz SJDDAMREEZISDI-CALCHBBNSA-N 1 1 342.447 0.697 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC001053031427 765504668 /nfs/dbraw/zinc/50/46/68/765504668.db2.gz FWYAFCAQAQKWRB-CVEARBPZSA-N 1 1 342.443 0.978 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C2CCC(O)CC2)[C@H](OC)C1 ZINC001212196071 765572564 /nfs/dbraw/zinc/57/25/64/765572564.db2.gz LRHMNBNFEJHNLV-QDIHITRGSA-N 1 1 326.437 0.556 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)cc1 ZINC000992160635 765717304 /nfs/dbraw/zinc/71/73/04/765717304.db2.gz OKNDWHMZODURAE-QAPCUYQASA-N 1 1 342.399 0.687 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001016018263 765724087 /nfs/dbraw/zinc/72/40/87/765724087.db2.gz GPJUFZZZQHLLKI-KGLIPLIRSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001016018263 765724093 /nfs/dbraw/zinc/72/40/93/765724093.db2.gz GPJUFZZZQHLLKI-KGLIPLIRSA-N 1 1 344.415 0.374 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001016027008 765730074 /nfs/dbraw/zinc/73/00/74/765730074.db2.gz KRZOOMODZOGKJV-WFASDCNBSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001016027008 765730077 /nfs/dbraw/zinc/73/00/77/765730077.db2.gz KRZOOMODZOGKJV-WFASDCNBSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC001016032162 765734749 /nfs/dbraw/zinc/73/47/49/765734749.db2.gz WYZJPISEQCTRCP-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC001016032162 765734754 /nfs/dbraw/zinc/73/47/54/765734754.db2.gz WYZJPISEQCTRCP-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3c4n(c(=O)n3C)CCCC4)CCC[C@@H]12 ZINC000992171979 765758879 /nfs/dbraw/zinc/75/88/79/765758879.db2.gz ZPYBGKBAWQOBBQ-BEFAXECRSA-N 1 1 342.443 0.883 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993172454 768318936 /nfs/dbraw/zinc/31/89/36/768318936.db2.gz RQIJPFTWPPHBAI-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993172454 768318943 /nfs/dbraw/zinc/31/89/43/768318943.db2.gz RQIJPFTWPPHBAI-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO Cc1nsc(NC[C@@H](O)CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1C#N ZINC001106105828 765766087 /nfs/dbraw/zinc/76/60/87/765766087.db2.gz YIVBMHGGIYUXGZ-JQWIXIFHSA-N 1 1 337.449 0.554 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H](C)C(N)=O)CC3)c1 ZINC000992173547 765766642 /nfs/dbraw/zinc/76/66/42/765766642.db2.gz GGQNYJNENMPOHL-DWQUBVKVSA-N 1 1 326.400 0.664 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@H](C)C(N)=O)CC3)c1 ZINC000992173547 765766645 /nfs/dbraw/zinc/76/66/45/765766645.db2.gz GGQNYJNENMPOHL-DWQUBVKVSA-N 1 1 326.400 0.664 20 30 ECEDMO C=CCCN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263773 765864979 /nfs/dbraw/zinc/86/49/79/765864979.db2.gz YKJXZFLRRZPZQL-CVEARBPZSA-N 1 1 335.448 0.339 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H](O)CNc1cncc(C#N)n1)CC(C)(C)C ZINC001106108902 765867089 /nfs/dbraw/zinc/86/70/89/765867089.db2.gz ROBNTKULJJFWNJ-CYBMUJFWSA-N 1 1 334.424 0.215 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)C2)cc1C#N ZINC001016185184 765881880 /nfs/dbraw/zinc/88/18/80/765881880.db2.gz PNWCQPXIOGLUNO-OAHLLOKOSA-N 1 1 340.387 0.549 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cncn3)C2)cc1C#N ZINC001016185184 765881887 /nfs/dbraw/zinc/88/18/87/765881887.db2.gz PNWCQPXIOGLUNO-OAHLLOKOSA-N 1 1 340.387 0.549 20 30 ECEDMO C=C(C)CN1CC2(C1)CN(C(=O)[C@@H](Cn1cccn1)[NH+](C)C)CCO2 ZINC001053285898 765907234 /nfs/dbraw/zinc/90/72/34/765907234.db2.gz PMLVVUJFOWSYMK-MRXNPFEDSA-N 1 1 347.463 0.303 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@H](C)OC)C2)C1 ZINC001053291290 765920477 /nfs/dbraw/zinc/92/04/77/765920477.db2.gz HWWCYMACAKHQIQ-HOTGVXAUSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@H](C)OC)C2)C1 ZINC001053291290 765920480 /nfs/dbraw/zinc/92/04/80/765920480.db2.gz HWWCYMACAKHQIQ-HOTGVXAUSA-N 1 1 335.448 0.032 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3c(C)noc3C)C2)C1=O ZINC001016236381 765956418 /nfs/dbraw/zinc/95/64/18/765956418.db2.gz ZSZFRCAQYVMSGN-HOCLYGCPSA-N 1 1 346.431 0.811 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3c(C)noc3C)C2)C1=O ZINC001016236381 765956420 /nfs/dbraw/zinc/95/64/20/765956420.db2.gz ZSZFRCAQYVMSGN-HOCLYGCPSA-N 1 1 346.431 0.811 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N[C@H](C)C1)CCO2 ZINC001053321225 765967202 /nfs/dbraw/zinc/96/72/02/765967202.db2.gz BHHDUNKSNJPJDR-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO CCN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304916 766080637 /nfs/dbraw/zinc/08/06/37/766080637.db2.gz ISODZJDOLVWICE-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)CCc1cnn(C)n1)CCO2 ZINC001053432455 766123580 /nfs/dbraw/zinc/12/35/80/766123580.db2.gz YMDJVRJWOOYOBW-UHFFFAOYSA-N 1 1 333.436 0.627 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 ZINC001053496671 766235102 /nfs/dbraw/zinc/23/51/02/766235102.db2.gz MOBYCRMZRXBQTA-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H](C)C(N)=O)CC3)nn1 ZINC000992313565 766240350 /nfs/dbraw/zinc/24/03/50/766240350.db2.gz DKWMPTBMOUKDIS-IFIJOSMWSA-N 1 1 346.435 0.455 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@H](C)C(N)=O)CC3)nn1 ZINC000992313565 766240356 /nfs/dbraw/zinc/24/03/56/766240356.db2.gz DKWMPTBMOUKDIS-IFIJOSMWSA-N 1 1 346.435 0.455 20 30 ECEDMO C=CCN1CC[C@@]2(NC(=O)Cn3[n-]cc4c(=O)ncnc3-4)CCC[C@@H]12 ZINC000992313895 766241349 /nfs/dbraw/zinc/24/13/49/766241349.db2.gz BLDGLUVZXGNYPP-DYVFJYSZSA-N 1 1 342.403 0.370 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCN(C)S3(=O)=O)CCC[C@@H]12 ZINC000992315599 766247045 /nfs/dbraw/zinc/24/70/45/766247045.db2.gz VAASLQQDLNOYEP-SQWLQELKSA-N 1 1 341.477 0.710 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](C[C@@H](C)O)CC3)nn1 ZINC000992321668 766264099 /nfs/dbraw/zinc/26/40/99/766264099.db2.gz NXTAUYYZYHDPTE-UNEWFSDZSA-N 1 1 333.436 0.962 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001045782273 766362737 /nfs/dbraw/zinc/36/27/37/766362737.db2.gz DIFHXWILCSZVQQ-KRWDZBQOSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001045783014 766365219 /nfs/dbraw/zinc/36/52/19/766365219.db2.gz OQIULNNEJCSHRW-YOEHRIQHSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001045784434 766367394 /nfs/dbraw/zinc/36/73/94/766367394.db2.gz BKNUBGFVMIMZHH-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)O2 ZINC001053600721 766408714 /nfs/dbraw/zinc/40/87/14/766408714.db2.gz PVEOBMAQFLFAEN-ZDUSSCGKSA-N 1 1 346.435 0.415 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnn1CCOC)O2 ZINC001053615197 766438358 /nfs/dbraw/zinc/43/83/58/766438358.db2.gz DRVLXHGBSLXOSY-HNNXBMFYSA-N 1 1 346.431 0.516 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001045861138 766440062 /nfs/dbraw/zinc/44/00/62/766440062.db2.gz GDJIJFJCTJPADM-AESZEHBQSA-N 1 1 335.448 0.908 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001045861138 766440065 /nfs/dbraw/zinc/44/00/65/766440065.db2.gz GDJIJFJCTJPADM-AESZEHBQSA-N 1 1 335.448 0.908 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)cn1 ZINC001045880146 766462652 /nfs/dbraw/zinc/46/26/52/766462652.db2.gz KGZSRDKELOWXEH-IKGGRYGDSA-N 1 1 338.411 0.630 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992392488 766464511 /nfs/dbraw/zinc/46/45/11/766464511.db2.gz BGCYBCLXQSPBKS-CXAGYDPISA-N 1 1 334.420 0.570 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)O2 ZINC001053625920 766467512 /nfs/dbraw/zinc/46/75/12/766467512.db2.gz JDKKSSHRFHGELF-GJZGRUSLSA-N 1 1 348.447 0.150 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(=O)c(OC)co1)O2 ZINC001053628835 766475377 /nfs/dbraw/zinc/47/53/77/766475377.db2.gz ZFOAUJNUEZBDLR-ZDUSSCGKSA-N 1 1 346.383 0.635 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@H]12 ZINC000992401062 766478566 /nfs/dbraw/zinc/47/85/66/766478566.db2.gz WWSMZMBGCIIJDM-KSSFIOAISA-N 1 1 348.447 0.960 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(=O)NC)CC3)cn1 ZINC000992403184 766491758 /nfs/dbraw/zinc/49/17/58/766491758.db2.gz AXXIZXRRFJTKLB-YJBOKZPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)NC)CC3)cn1 ZINC000992403184 766491760 /nfs/dbraw/zinc/49/17/60/766491760.db2.gz AXXIZXRRFJTKLB-YJBOKZPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C=CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)O2 ZINC001053638992 766495126 /nfs/dbraw/zinc/49/51/26/766495126.db2.gz FTUWOQHKSMVHSZ-LPMVOBIJSA-N 1 1 347.459 0.385 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H]2CCNC2=O)CC3)cn1 ZINC000992405390 766499839 /nfs/dbraw/zinc/49/98/39/766499839.db2.gz GBNOTWJXKIIFTF-BXWFABGCSA-N 1 1 338.411 0.678 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001045940384 766510864 /nfs/dbraw/zinc/51/08/64/766510864.db2.gz XAMOVAQDUZCDED-MRXNPFEDSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001045940384 766510868 /nfs/dbraw/zinc/51/08/68/766510868.db2.gz XAMOVAQDUZCDED-MRXNPFEDSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)N1C(=O)CCC1=O)C2 ZINC001045942115 766511882 /nfs/dbraw/zinc/51/18/82/766511882.db2.gz RNYQKXAGCRWUHM-HNAYVOBHSA-N 1 1 345.443 0.862 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)O2 ZINC001053665207 766539028 /nfs/dbraw/zinc/53/90/28/766539028.db2.gz OMVNVCJUVHUBKT-ARFHVFGLSA-N 1 1 342.443 0.897 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)O2 ZINC001053666798 766541517 /nfs/dbraw/zinc/54/15/17/766541517.db2.gz JIFFMECMYMURKJ-YESZJQIVSA-N 1 1 342.443 0.897 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cn3nc4n(c3=O)CCCC4)CCC[C@H]12 ZINC000992435520 766563064 /nfs/dbraw/zinc/56/30/64/766563064.db2.gz VWQFTEKGLYEPRM-KBXCAEBGSA-N 1 1 343.431 0.128 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)O2 ZINC001053679462 766566634 /nfs/dbraw/zinc/56/66/34/766566634.db2.gz DTFITASROFBWNM-ZDUSSCGKSA-N 1 1 330.388 0.100 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1OC ZINC001212257858 766595043 /nfs/dbraw/zinc/59/50/43/766595043.db2.gz JTFKJWKSKVJMKV-USXIJHARSA-N 1 1 331.416 0.744 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1OC ZINC001212257858 766595046 /nfs/dbraw/zinc/59/50/46/766595046.db2.gz JTFKJWKSKVJMKV-USXIJHARSA-N 1 1 331.416 0.744 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCN(C(C)=O)CC1)O2 ZINC001053697100 766610968 /nfs/dbraw/zinc/61/09/68/766610968.db2.gz VRNGOLJNBSYGDB-KRWDZBQOSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC001046007760 766621150 /nfs/dbraw/zinc/62/11/50/766621150.db2.gz KEPAFMOQAONYBX-CABCVRRESA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC001046007760 766621154 /nfs/dbraw/zinc/62/11/54/766621154.db2.gz KEPAFMOQAONYBX-CABCVRRESA-N 1 1 327.856 0.994 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N(C)C1)O2 ZINC001053701154 766622012 /nfs/dbraw/zinc/62/20/12/766622012.db2.gz NNJKHCQKPQBMAB-CABCVRRESA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)O2 ZINC001053704015 766627951 /nfs/dbraw/zinc/62/79/51/766627951.db2.gz SYDSXGRCWUUPDT-AWEZNQCLSA-N 1 1 342.399 0.167 20 30 ECEDMO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)no1 ZINC001046013443 766642511 /nfs/dbraw/zinc/64/25/11/766642511.db2.gz YJWQFUMLPYFRRC-CZUORRHYSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)no1 ZINC001046013443 766642515 /nfs/dbraw/zinc/64/25/15/766642515.db2.gz YJWQFUMLPYFRRC-CZUORRHYSA-N 1 1 331.420 0.861 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)C3CCN(C(N)=O)CC3)CCC[C@H]12 ZINC000992466722 766643470 /nfs/dbraw/zinc/64/34/70/766643470.db2.gz SLGGJXDBGGVEFW-MAUKXSAKSA-N 1 1 332.448 0.914 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc(C)on3)CC2)C1 ZINC001046013558 766643810 /nfs/dbraw/zinc/64/38/10/766643810.db2.gz DFRIMAAYOREQBS-QGZVFWFLSA-N 1 1 330.432 0.767 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3N)CC2)C1 ZINC001046021977 766667436 /nfs/dbraw/zinc/66/74/36/766667436.db2.gz INSUJBKTEYVTKY-OAHLLOKOSA-N 1 1 346.479 0.801 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 ZINC001046023477 766672904 /nfs/dbraw/zinc/67/29/04/766672904.db2.gz NXHRNVWNAAZDAS-HZPDHXFCSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1OC ZINC001212262086 766674260 /nfs/dbraw/zinc/67/42/60/766674260.db2.gz AACHRDPPVYEXAO-GDBMZVCRSA-N 1 1 335.404 0.647 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1OC ZINC001212262086 766674265 /nfs/dbraw/zinc/67/42/65/766674265.db2.gz AACHRDPPVYEXAO-GDBMZVCRSA-N 1 1 335.404 0.647 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1OC ZINC001212262246 766676868 /nfs/dbraw/zinc/67/68/68/766676868.db2.gz IRZZMEAALLGJGR-IAGOWNOFSA-N 1 1 338.448 0.658 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CC)n3)CC2)C1 ZINC001046026468 766682507 /nfs/dbraw/zinc/68/25/07/766682507.db2.gz XLRPXBWQYUWBTI-HNNXBMFYSA-N 1 1 330.436 0.153 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc(C)[nH]3)CC2)C1 ZINC001046026770 766684266 /nfs/dbraw/zinc/68/42/66/766684266.db2.gz FZOFVIVXNOHSFZ-OAHLLOKOSA-N 1 1 332.452 0.450 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@@H]12 ZINC000992486643 766690548 /nfs/dbraw/zinc/69/05/48/766690548.db2.gz HMFGAUCJTWOEGD-SJKOYZFVSA-N 1 1 332.404 0.063 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(CC)n1 ZINC001089622236 766692322 /nfs/dbraw/zinc/69/23/22/766692322.db2.gz GLWFTSZTOZNBFV-CQSZACIVSA-N 1 1 345.447 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000994750985 766695580 /nfs/dbraw/zinc/69/55/80/766695580.db2.gz KGIPCRXOZMYCDU-VVLHAWIVSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000994750985 766695585 /nfs/dbraw/zinc/69/55/85/766695585.db2.gz KGIPCRXOZMYCDU-VVLHAWIVSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000994751132 766696601 /nfs/dbraw/zinc/69/66/01/766696601.db2.gz NIZNMKKKCIXGLS-QSPRXWTASA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000994751132 766696605 /nfs/dbraw/zinc/69/66/05/766696605.db2.gz NIZNMKKKCIXGLS-QSPRXWTASA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc3occc3[nH]2)C1 ZINC000994750936 766704060 /nfs/dbraw/zinc/70/40/60/766704060.db2.gz FMUJAUOYYSZJDX-HNNXBMFYSA-N 1 1 340.383 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc3occc3[nH]2)C1 ZINC000994750936 766704071 /nfs/dbraw/zinc/70/40/71/766704071.db2.gz FMUJAUOYYSZJDX-HNNXBMFYSA-N 1 1 340.383 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2[nH]cnc2CC)C1 ZINC000994750968 766704603 /nfs/dbraw/zinc/70/46/03/766704603.db2.gz JSHKGJLTBQJQOG-AWEZNQCLSA-N 1 1 329.404 0.010 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2[nH]cnc2CC)C1 ZINC000994750968 766704607 /nfs/dbraw/zinc/70/46/07/766704607.db2.gz JSHKGJLTBQJQOG-AWEZNQCLSA-N 1 1 329.404 0.010 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cn(C(C)C)cn2)C1 ZINC000994754262 766705459 /nfs/dbraw/zinc/70/54/59/766705459.db2.gz KPEPEAGFCBRAKH-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cn(C(C)C)cn2)C1 ZINC000994754262 766705465 /nfs/dbraw/zinc/70/54/65/766705465.db2.gz KPEPEAGFCBRAKH-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO CCN(c1ncc(C#N)cc1F)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089626584 766707735 /nfs/dbraw/zinc/70/77/35/766707735.db2.gz ADJSNFWTVXPEQG-IUODEOHRSA-N 1 1 349.410 0.754 20 30 ECEDMO CCN(c1ncc(C#N)cc1F)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089626584 766707742 /nfs/dbraw/zinc/70/77/42/766707742.db2.gz ADJSNFWTVXPEQG-IUODEOHRSA-N 1 1 349.410 0.754 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000994754644 766708686 /nfs/dbraw/zinc/70/86/86/766708686.db2.gz OEIZFCBYSYQHCY-BBWFWOEESA-N 1 1 346.475 0.141 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC001046034898 766715855 /nfs/dbraw/zinc/71/58/55/766715855.db2.gz YJLIYNQVVUKDTM-SFHVURJKSA-N 1 1 343.475 0.513 20 30 ECEDMO CNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001089627174 766719220 /nfs/dbraw/zinc/71/92/20/766719220.db2.gz VEHAYMNAIUIXSZ-CQSZACIVSA-N 1 1 331.420 0.853 20 30 ECEDMO CNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001089627174 766719224 /nfs/dbraw/zinc/71/92/24/766719224.db2.gz VEHAYMNAIUIXSZ-CQSZACIVSA-N 1 1 331.420 0.853 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc(C4CC4)no3)CC2)C1 ZINC001046035469 766720888 /nfs/dbraw/zinc/72/08/88/766720888.db2.gz MIDKPIOJQYHLKA-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2coc(C3CC3)n2)C1 ZINC000994756032 766722358 /nfs/dbraw/zinc/72/23/58/766722358.db2.gz TYEJLCDOIDZXCX-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2coc(C3CC3)n2)C1 ZINC000994756032 766722365 /nfs/dbraw/zinc/72/23/65/766722365.db2.gz TYEJLCDOIDZXCX-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3(F)CCOCC3)CC2)C1 ZINC001046035999 766724308 /nfs/dbraw/zinc/72/43/08/766724308.db2.gz YFHRXCPULBFWON-HNNXBMFYSA-N 1 1 325.428 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C(F)F)CCC2)C1 ZINC000994756274 766726726 /nfs/dbraw/zinc/72/67/26/766726726.db2.gz WJODUHJHFJNPJJ-ZDUSSCGKSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C(F)F)CCC2)C1 ZINC000994756274 766726734 /nfs/dbraw/zinc/72/67/34/766726734.db2.gz WJODUHJHFJNPJJ-ZDUSSCGKSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001046036378 766727186 /nfs/dbraw/zinc/72/71/86/766727186.db2.gz INBKKCVGWIOUIV-MSOLQXFVSA-N 1 1 332.492 0.711 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 ZINC001046036893 766730027 /nfs/dbraw/zinc/73/00/27/766730027.db2.gz IUTDYRVVVMYCGA-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046037544 766734266 /nfs/dbraw/zinc/73/42/66/766734266.db2.gz RVCYQZSTPYYMGT-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC001046037579 766735177 /nfs/dbraw/zinc/73/51/77/766735177.db2.gz SXVRZUUIJWEPHG-ZDUSSCGKSA-N 1 1 342.871 0.469 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC001046037579 766735185 /nfs/dbraw/zinc/73/51/85/766735185.db2.gz SXVRZUUIJWEPHG-ZDUSSCGKSA-N 1 1 342.871 0.469 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OCC)n[nH]3)CC2)C1 ZINC001046038669 766739458 /nfs/dbraw/zinc/73/94/58/766739458.db2.gz HPHNIXBZUKCFOK-OAHLLOKOSA-N 1 1 345.447 0.664 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nncn4C3)CCC[C@@H]12 ZINC000992505683 766740527 /nfs/dbraw/zinc/74/05/27/766740527.db2.gz HUJPNLUFZOLKKT-HDMKZQKVSA-N 1 1 327.432 0.977 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)C1 ZINC001046041016 766749228 /nfs/dbraw/zinc/74/92/28/766749228.db2.gz NEGATEYPUSVABP-WMZOPIPTSA-N 1 1 343.475 0.850 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nncn4C3)CCC[C@@H]12 ZINC000992513441 766752699 /nfs/dbraw/zinc/75/26/99/766752699.db2.gz VUZPLAJQKPDUTO-HDMKZQKVSA-N 1 1 327.432 0.977 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3)CC2)C1 ZINC001046042696 766757744 /nfs/dbraw/zinc/75/77/44/766757744.db2.gz KOOLYYYQQSPOBE-KRWDZBQOSA-N 1 1 340.427 0.477 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC001046043091 766758928 /nfs/dbraw/zinc/75/89/28/766758928.db2.gz VENVBBVMFOYWQJ-HNNXBMFYSA-N 1 1 341.459 0.754 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)C1 ZINC001046043618 766762370 /nfs/dbraw/zinc/76/23/70/766762370.db2.gz BNUYRUWCTDHVOO-HNNXBMFYSA-N 1 1 343.431 0.131 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2[nH]c(C)cc2C)C1 ZINC000994766920 766766674 /nfs/dbraw/zinc/76/66/74/766766674.db2.gz DUWGQXQABLBEKO-HNNXBMFYSA-N 1 1 328.416 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2[nH]c(C)cc2C)C1 ZINC000994766920 766766679 /nfs/dbraw/zinc/76/66/79/766766679.db2.gz DUWGQXQABLBEKO-HNNXBMFYSA-N 1 1 328.416 0.670 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncc3C)CC2)C1 ZINC001046044581 766767419 /nfs/dbraw/zinc/76/74/19/766767419.db2.gz ZIGOFLCLTVOFPG-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC001046044450 766767825 /nfs/dbraw/zinc/76/78/25/766767825.db2.gz XEMSPXVJIZMVGD-MRXNPFEDSA-N 1 1 330.432 0.734 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC001046046959 766775892 /nfs/dbraw/zinc/77/58/92/766775892.db2.gz JSFCXFSRAKVKNM-CQSZACIVSA-N 1 1 332.404 0.397 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC001046048099 766780369 /nfs/dbraw/zinc/78/03/69/766780369.db2.gz PSWKMCOQRWQHFE-KRWDZBQOSA-N 1 1 344.463 0.082 20 30 ECEDMO CC[C@@H](C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CO2)OC ZINC001053766440 766785390 /nfs/dbraw/zinc/78/53/90/766785390.db2.gz NJHZXYAAPRDVRL-KGLIPLIRSA-N 1 1 332.404 0.884 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@H]12 ZINC000992532170 766787505 /nfs/dbraw/zinc/78/75/05/766787505.db2.gz WSRIGVSHDDJUEO-XJKSGUPXSA-N 1 1 332.408 0.066 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncccc3F)CC2)C1 ZINC001046054758 766803032 /nfs/dbraw/zinc/80/30/32/766803032.db2.gz PJJJKNYWNSECSI-OAHLLOKOSA-N 1 1 330.407 0.615 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)[nH]1 ZINC001053773121 766805048 /nfs/dbraw/zinc/80/50/48/766805048.db2.gz DKFKAQTUFSCCMM-GXTWGEPZSA-N 1 1 330.388 0.496 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046055971 766808149 /nfs/dbraw/zinc/80/81/49/766808149.db2.gz LXBGURWWTHNLBK-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046056302 766810343 /nfs/dbraw/zinc/81/03/43/766810343.db2.gz QCLPTZUHAPWWTJ-QFBILLFUSA-N 1 1 346.475 0.145 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@H]3CC[N@H+]([C@@H](CC)C(N)=O)C3)CC2)C1 ZINC001046059167 766820599 /nfs/dbraw/zinc/82/05/99/766820599.db2.gz AYHCZLRHVOIYDE-HOTGVXAUSA-N 1 1 348.491 0.825 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2COC3(C[NH+](CC[C@@H]4CCOC4)C3)C2)c[nH]1 ZINC001053780533 766820589 /nfs/dbraw/zinc/82/05/89/766820589.db2.gz MUTQRXLGANURFX-CZUORRHYSA-N 1 1 344.415 0.886 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nnn(CC)c3CC)CC2)C1 ZINC001046061289 766830211 /nfs/dbraw/zinc/83/02/11/766830211.db2.gz LANBLNAXKOWROO-OAHLLOKOSA-N 1 1 346.479 0.879 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCN([C@H]3CC[N@H+](CC)C3)CC2)nn1 ZINC001046070631 766874636 /nfs/dbraw/zinc/87/46/36/766874636.db2.gz XYAJAEWOBOVXLD-HNNXBMFYSA-N 1 1 332.452 0.706 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)c3cnn(C)c3)CC2)C1 ZINC001046072575 766882533 /nfs/dbraw/zinc/88/25/33/766882533.db2.gz IRUTYUXDPXSSHB-KRWDZBQOSA-N 1 1 343.475 0.549 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC001046072865 766884125 /nfs/dbraw/zinc/88/41/25/766884125.db2.gz PGJJOHCFIXZHOG-OAHLLOKOSA-N 1 1 345.447 0.522 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046073211 766886509 /nfs/dbraw/zinc/88/65/09/766886509.db2.gz YFVVLPYBXZMLSQ-GFCCVEGCSA-N 1 1 325.800 0.654 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046073211 766886519 /nfs/dbraw/zinc/88/65/19/766886519.db2.gz YFVVLPYBXZMLSQ-GFCCVEGCSA-N 1 1 325.800 0.654 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC001046076160 766900683 /nfs/dbraw/zinc/90/06/83/766900683.db2.gz CJJPCOFDWJEMON-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CC)nn3)CC2)C1 ZINC001046075986 766900955 /nfs/dbraw/zinc/90/09/55/766900955.db2.gz ZFTBTZCMVMFLNQ-HNNXBMFYSA-N 1 1 330.436 0.153 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCCN3C(N)=O)CC2)C1 ZINC001046077408 766907984 /nfs/dbraw/zinc/90/79/84/766907984.db2.gz ORKBOXSBDAHBKT-HOTGVXAUSA-N 1 1 349.479 0.324 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046081529 766919286 /nfs/dbraw/zinc/91/92/86/766919286.db2.gz MAVJLHGAXYNXAR-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nn(C)c3F)CC2)C1 ZINC001046082694 766921898 /nfs/dbraw/zinc/92/18/98/766921898.db2.gz ZPYGCNUVCOVELU-AWEZNQCLSA-N 1 1 333.411 0.333 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC001046083928 766923612 /nfs/dbraw/zinc/92/36/12/766923612.db2.gz FGBCKYJXMYUTJU-OAHLLOKOSA-N 1 1 345.447 0.522 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4nncn4C3)CC2)C1 ZINC001046084767 766926130 /nfs/dbraw/zinc/92/61/30/766926130.db2.gz BUUMDJMNEBNEGK-CVEARBPZSA-N 1 1 344.463 0.245 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(N)=O)cs3)CC2)C1 ZINC001046086531 766928548 /nfs/dbraw/zinc/92/85/48/766928548.db2.gz WFZFGIBQCHCQLG-CQSZACIVSA-N 1 1 346.456 0.312 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)cn3)CC2)C1 ZINC001046086502 766928642 /nfs/dbraw/zinc/92/86/42/766928642.db2.gz JGZVKDNYYLFPIJ-HNNXBMFYSA-N 1 1 343.431 0.199 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)nc3)CC2)C1 ZINC001046089872 766932042 /nfs/dbraw/zinc/93/20/42/766932042.db2.gz KGPFDNTYBSIMRG-OAHLLOKOSA-N 1 1 343.431 0.199 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3n[nH]nc3n1)CO2 ZINC001053824974 766948219 /nfs/dbraw/zinc/94/82/19/766948219.db2.gz JMBXKBDJCRGONE-NSHDSACASA-N 1 1 328.376 0.502 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nc(C)c(C)o2)C1 ZINC001031740590 766985265 /nfs/dbraw/zinc/98/52/65/766985265.db2.gz GAWSINZAYWYNSE-INIZCTEOSA-N 1 1 330.432 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nc(C)c(C)o2)C1 ZINC001031740590 766985269 /nfs/dbraw/zinc/98/52/69/766985269.db2.gz GAWSINZAYWYNSE-INIZCTEOSA-N 1 1 330.432 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(C)n2CC)C1 ZINC001031741227 766988260 /nfs/dbraw/zinc/98/82/60/766988260.db2.gz TVICQSFYIXWIPR-INIZCTEOSA-N 1 1 344.463 0.252 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(C)n2CC)C1 ZINC001031741227 766988265 /nfs/dbraw/zinc/98/82/65/766988265.db2.gz TVICQSFYIXWIPR-INIZCTEOSA-N 1 1 344.463 0.252 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccc(F)cn2)C1 ZINC001031741401 766988874 /nfs/dbraw/zinc/98/88/74/766988874.db2.gz YPGBWZUDAUPMNE-KRWDZBQOSA-N 1 1 330.407 0.866 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccc(F)cn2)C1 ZINC001031741401 766988882 /nfs/dbraw/zinc/98/88/82/766988882.db2.gz YPGBWZUDAUPMNE-KRWDZBQOSA-N 1 1 330.407 0.866 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nc(C3CC3)no2)C1 ZINC001031741352 766989718 /nfs/dbraw/zinc/98/97/18/766989718.db2.gz XCDGZIQWERWABN-HNNXBMFYSA-N 1 1 343.431 0.593 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nc(C3CC3)no2)C1 ZINC001031741352 766989723 /nfs/dbraw/zinc/98/97/23/766989723.db2.gz XCDGZIQWERWABN-HNNXBMFYSA-N 1 1 343.431 0.593 20 30 ECEDMO Cn1cnc(C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)cc1=O ZINC001031741669 766992500 /nfs/dbraw/zinc/99/25/00/766992500.db2.gz WRGMREJRTMYKLX-UHFFFAOYSA-N 1 1 337.383 0.514 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CS(=O)(=O)C1)CO2 ZINC001053850801 767016738 /nfs/dbraw/zinc/01/67/38/767016738.db2.gz FRFHRCPVEQVBAC-CQSZACIVSA-N 1 1 342.461 0.347 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001046177746 767024724 /nfs/dbraw/zinc/02/47/24/767024724.db2.gz MLFDUVVCVXVTLI-KSSFIOAISA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001046177746 767024732 /nfs/dbraw/zinc/02/47/32/767024732.db2.gz MLFDUVVCVXVTLI-KSSFIOAISA-N 1 1 345.447 0.710 20 30 ECEDMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083708630 767025177 /nfs/dbraw/zinc/02/51/77/767025177.db2.gz CPAVTHMGNUJNRE-CVEARBPZSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083708630 767025187 /nfs/dbraw/zinc/02/51/87/767025187.db2.gz CPAVTHMGNUJNRE-CVEARBPZSA-N 1 1 339.399 0.575 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1COCCN1CC)CO2 ZINC001053854083 767028396 /nfs/dbraw/zinc/02/83/96/767028396.db2.gz RMXKADZFNGNKRK-HOTGVXAUSA-N 1 1 337.464 0.633 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)[nH]1 ZINC000994855565 767043557 /nfs/dbraw/zinc/04/35/57/767043557.db2.gz RKVFVVCLGYESRZ-HOCLYGCPSA-N 1 1 341.415 0.844 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046197707 767048310 /nfs/dbraw/zinc/04/83/10/767048310.db2.gz ONPGUBXXMXTJNY-CRAIPNDOSA-N 1 1 326.400 0.917 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001089702429 767099992 /nfs/dbraw/zinc/09/99/92/767099992.db2.gz ALGQFTKJMNUYFH-STQMWFEESA-N 1 1 334.420 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc[nH]c2)C1 ZINC000938756020 767106908 /nfs/dbraw/zinc/10/69/08/767106908.db2.gz FYWUHAJISVQELK-HOTGVXAUSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc[nH]c2)C1 ZINC000938756020 767106910 /nfs/dbraw/zinc/10/69/10/767106910.db2.gz FYWUHAJISVQELK-HOTGVXAUSA-N 1 1 328.416 0.785 20 30 ECEDMO CN(C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1)C1CC1 ZINC001046248334 767107224 /nfs/dbraw/zinc/10/72/24/767107224.db2.gz NXWJQOGQUPZQQU-QGZVFWFLSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1)C1CC1 ZINC001046248334 767107228 /nfs/dbraw/zinc/10/72/28/767107228.db2.gz NXWJQOGQUPZQQU-QGZVFWFLSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001089730880 767133997 /nfs/dbraw/zinc/13/39/97/767133997.db2.gz GEDODTPXZQDFJB-GFCCVEGCSA-N 1 1 334.420 0.892 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001046298687 767134529 /nfs/dbraw/zinc/13/45/29/767134529.db2.gz QKWSSCJGYVXBSU-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001046298687 767134530 /nfs/dbraw/zinc/13/45/30/767134530.db2.gz QKWSSCJGYVXBSU-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(=O)[nH]n1 ZINC001089765669 767148002 /nfs/dbraw/zinc/14/80/02/767148002.db2.gz IAPJKJNVSQQNEX-NHIYQJMISA-N 1 1 326.400 0.988 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCNC(=O)CC1)CO2 ZINC001053881204 767150318 /nfs/dbraw/zinc/15/03/18/767150318.db2.gz GDFJLKUEBBKZHV-LSDHHAIUSA-N 1 1 335.448 0.828 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCNC(=O)CC1)CO2 ZINC001053881202 767150563 /nfs/dbraw/zinc/15/05/63/767150563.db2.gz GDFJLKUEBBKZHV-GJZGRUSLSA-N 1 1 335.448 0.828 20 30 ECEDMO C=CCOCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293523 767173891 /nfs/dbraw/zinc/17/38/91/767173891.db2.gz VOTCHLLTVZLQSA-BRWVUGGUSA-N 1 1 337.464 0.346 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(C#N)c1 ZINC001089795926 767220473 /nfs/dbraw/zinc/22/04/73/767220473.db2.gz QYHYRODVIGUQAM-SRMUXQRQSA-N 1 1 341.415 0.415 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CN(C(C)=O)C1 ZINC001089797372 767221925 /nfs/dbraw/zinc/22/19/25/767221925.db2.gz NATVHFIZHIFXQC-HPBDAGMYSA-N 1 1 329.444 0.657 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c[nH]nc3C(C)C)C2)C1=O ZINC001031807373 767250257 /nfs/dbraw/zinc/25/02/57/767250257.db2.gz JYEUUSHAEHIHQT-OAHLLOKOSA-N 1 1 345.447 0.982 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001046507141 767268412 /nfs/dbraw/zinc/26/84/12/767268412.db2.gz HHSFSKKSIHDYDH-MRXNPFEDSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046536951 767287892 /nfs/dbraw/zinc/28/78/92/767287892.db2.gz FDEASBBEUIGERD-MAUKXSAKSA-N 1 1 326.400 0.775 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001046606865 767358042 /nfs/dbraw/zinc/35/80/42/767358042.db2.gz KITWZUGVVQCAFZ-SFHVURJKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC3CC3)C2)c1 ZINC001046606865 767358048 /nfs/dbraw/zinc/35/80/48/767358048.db2.gz KITWZUGVVQCAFZ-SFHVURJKSA-N 1 1 326.400 0.536 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCCC(=O)N1)CO2 ZINC001053921143 767362711 /nfs/dbraw/zinc/36/27/11/767362711.db2.gz BDSFJDBUENZVDU-HUUCEWRRSA-N 1 1 335.448 0.971 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046626593 767390244 /nfs/dbraw/zinc/39/02/44/767390244.db2.gz ANXILYQDETWUGR-GLJUWKHASA-N 1 1 344.390 0.899 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046626593 767390252 /nfs/dbraw/zinc/39/02/52/767390252.db2.gz ANXILYQDETWUGR-GLJUWKHASA-N 1 1 344.390 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 ZINC001106155424 767393515 /nfs/dbraw/zinc/39/35/15/767393515.db2.gz YHWJRBFWZKKUTJ-HOTGVXAUSA-N 1 1 341.415 0.248 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 ZINC001106155424 767393527 /nfs/dbraw/zinc/39/35/27/767393527.db2.gz YHWJRBFWZKKUTJ-HOTGVXAUSA-N 1 1 341.415 0.248 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046628099 767393652 /nfs/dbraw/zinc/39/36/52/767393652.db2.gz JJQXEABSDFMQMJ-JTDSTZFVSA-N 1 1 325.412 0.740 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046628099 767393659 /nfs/dbraw/zinc/39/36/59/767393659.db2.gz JJQXEABSDFMQMJ-JTDSTZFVSA-N 1 1 325.412 0.740 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106158627 767425831 /nfs/dbraw/zinc/42/58/31/767425831.db2.gz XPNDQFFEHXNVHL-HUUCEWRRSA-N 1 1 331.420 0.717 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ncc(OC)cn1 ZINC001089836984 767432390 /nfs/dbraw/zinc/43/23/90/767432390.db2.gz WUOWZFVYBLJAMP-UKMLZYKCSA-N 1 1 326.400 0.901 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001106165070 767460954 /nfs/dbraw/zinc/46/09/54/767460954.db2.gz CVQZYKRZHVGKRP-HUUCEWRRSA-N 1 1 331.420 0.635 20 30 ECEDMO Cc1nsc(NC[C@@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)c1C#N ZINC001106165227 767462203 /nfs/dbraw/zinc/46/22/03/767462203.db2.gz HJFVNVGOFIWXAA-WCQYABFASA-N 1 1 337.449 0.697 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001046681523 767471244 /nfs/dbraw/zinc/47/12/44/767471244.db2.gz OEOLEEKMUKLRJM-KRWDZBQOSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001046681523 767471249 /nfs/dbraw/zinc/47/12/49/767471249.db2.gz OEOLEEKMUKLRJM-KRWDZBQOSA-N 1 1 341.419 0.957 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001046686068 767483637 /nfs/dbraw/zinc/48/36/37/767483637.db2.gz YNJMBVOLUPWPHK-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001046688867 767484867 /nfs/dbraw/zinc/48/48/67/767484867.db2.gz AMZJEGMBROVDDF-XJKSGUPXSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001046688867 767484870 /nfs/dbraw/zinc/48/48/70/767484870.db2.gz AMZJEGMBROVDDF-XJKSGUPXSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ncccn3)C2)C1=O ZINC001046721117 767541073 /nfs/dbraw/zinc/54/10/73/767541073.db2.gz IGWMJTMPVRSSGQ-GUYCJALGSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ncccn3)C2)C1=O ZINC001046721117 767541076 /nfs/dbraw/zinc/54/10/76/767541076.db2.gz IGWMJTMPVRSSGQ-GUYCJALGSA-N 1 1 329.404 0.458 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(C)c1OC)CO2 ZINC001053995333 767552158 /nfs/dbraw/zinc/55/21/58/767552158.db2.gz WEFISHMGQUYSKV-ZDUSSCGKSA-N 1 1 334.420 0.968 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@H]1CCCNC1=O ZINC001017092350 767574838 /nfs/dbraw/zinc/57/48/38/767574838.db2.gz HWFVJIWMNUCATQ-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnc1C(N)=O)CO2 ZINC001054013856 767598932 /nfs/dbraw/zinc/59/89/32/767598932.db2.gz CPNNZGZJKWXFPK-ZDUSSCGKSA-N 1 1 344.415 0.720 20 30 ECEDMO Cn1nncc1C[N@@H+](C)C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001017110003 767602705 /nfs/dbraw/zinc/60/27/05/767602705.db2.gz URDFFQDIONDOAA-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(N)=O)cs1)CO2 ZINC001054017663 767609408 /nfs/dbraw/zinc/60/94/08/767609408.db2.gz ITCVJVHSNJPEHO-LBPRGKRZSA-N 1 1 335.429 0.996 20 30 ECEDMO C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001054050590 767650317 /nfs/dbraw/zinc/65/03/17/767650317.db2.gz GWTZXLNPQFAPLA-HOTGVXAUSA-N 1 1 328.416 0.787 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001054053033 767652352 /nfs/dbraw/zinc/65/23/52/767652352.db2.gz KPBVDCFORJPCQS-BBWFWOEESA-N 1 1 325.412 0.674 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001054053033 767652355 /nfs/dbraw/zinc/65/23/55/767652355.db2.gz KPBVDCFORJPCQS-BBWFWOEESA-N 1 1 325.412 0.674 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001054115906 767703046 /nfs/dbraw/zinc/70/30/46/767703046.db2.gz IFHDGQUPSBBRGT-FZKQIMNGSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017195442 767711624 /nfs/dbraw/zinc/71/16/24/767711624.db2.gz ULGUOPXZOWIEQT-HNNXBMFYSA-N 1 1 344.415 0.745 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccc(C(N)=O)nc1)C2 ZINC001054153044 767749159 /nfs/dbraw/zinc/74/91/59/767749159.db2.gz KFPKYSQRDCTSCJ-IBGZPJMESA-N 1 1 340.427 0.671 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001054161730 767759457 /nfs/dbraw/zinc/75/94/57/767759457.db2.gz NLQARMBIPJKQQM-GOEBONIOSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001054161730 767759461 /nfs/dbraw/zinc/75/94/61/767759461.db2.gz NLQARMBIPJKQQM-GOEBONIOSA-N 1 1 326.462 0.922 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@]3(CCN(CC#N)C3)C2)C1 ZINC001054184917 767783907 /nfs/dbraw/zinc/78/39/07/767783907.db2.gz OKWYERCBZWRSFK-WMZOPIPTSA-N 1 1 334.464 0.934 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[C@@]3(CCN(CC#N)C3)C2)C1 ZINC001054184917 767783911 /nfs/dbraw/zinc/78/39/11/767783911.db2.gz OKWYERCBZWRSFK-WMZOPIPTSA-N 1 1 334.464 0.934 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001054186762 767785597 /nfs/dbraw/zinc/78/55/97/767785597.db2.gz DERIUJKFIXLJIE-DOMZBBRYSA-N 1 1 326.828 0.735 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CCS(=O)(=O)CC1)C2 ZINC001054206440 767804551 /nfs/dbraw/zinc/80/45/51/767804551.db2.gz IQROSGIEVLBICH-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CCS(=O)(=O)CC1)C2 ZINC001054206440 767804558 /nfs/dbraw/zinc/80/45/58/767804558.db2.gz IQROSGIEVLBICH-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCCn1cc(C(=O)NC2C[NH+](C[C@@H]3C[C@@]34CCOC4)C2)nn1 ZINC001031079726 767834524 /nfs/dbraw/zinc/83/45/24/767834524.db2.gz IIWGOIWJJIISMO-SUMWQHHRSA-N 1 1 331.420 0.695 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2ccon2)CC1 ZINC001017318280 767837715 /nfs/dbraw/zinc/83/77/15/767837715.db2.gz MIIDCECWGMOMPS-INIZCTEOSA-N 1 1 342.399 0.661 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2ccon2)CC1 ZINC001017318280 767837722 /nfs/dbraw/zinc/83/77/22/767837722.db2.gz MIIDCECWGMOMPS-INIZCTEOSA-N 1 1 342.399 0.661 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106539405 768419176 /nfs/dbraw/zinc/41/91/76/768419176.db2.gz MCQBXIQDJNUVSU-UKRRQHHQSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106539405 768419181 /nfs/dbraw/zinc/41/91/81/768419181.db2.gz MCQBXIQDJNUVSU-UKRRQHHQSA-N 1 1 346.435 0.764 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1ccnc(C#N)n1 ZINC001106616038 768513431 /nfs/dbraw/zinc/51/34/31/768513431.db2.gz OWMRLGUEHNVAHM-UONOGXRCSA-N 1 1 330.436 0.951 20 30 ECEDMO C[C@H](CCNc1ccc(C#N)nc1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106641680 768545198 /nfs/dbraw/zinc/54/51/98/768545198.db2.gz CGKIZTGRECSACI-XJKCOSOUSA-N 1 1 331.420 0.979 20 30 ECEDMO C[C@H](CCNc1ccc(C#N)nc1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106641680 768545201 /nfs/dbraw/zinc/54/52/01/768545201.db2.gz CGKIZTGRECSACI-XJKCOSOUSA-N 1 1 331.420 0.979 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)C1 ZINC001055063708 768552123 /nfs/dbraw/zinc/55/21/23/768552123.db2.gz BUWIXKFOLFYXSP-NYTXWWLZSA-N 1 1 340.431 0.916 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N(C)CCOCCNc1nc(C)cc(C#N)n1 ZINC001127368487 768566340 /nfs/dbraw/zinc/56/63/40/768566340.db2.gz ANDRHTOMOWWSDI-UHFFFAOYSA-N 1 1 348.451 0.885 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001055223316 768681727 /nfs/dbraw/zinc/68/17/27/768681727.db2.gz XUZGAWXPGMFWAU-MWDXBVQZSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001055251931 768711154 /nfs/dbraw/zinc/71/11/54/768711154.db2.gz OGUUZULJKQDVEV-XHSDSOJGSA-N 1 1 335.448 0.590 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268575 768725216 /nfs/dbraw/zinc/72/52/16/768725216.db2.gz LWWXOIOFWOJYSL-MWDXBVQZSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268575 768725218 /nfs/dbraw/zinc/72/52/18/768725218.db2.gz LWWXOIOFWOJYSL-MWDXBVQZSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001055313475 768769264 /nfs/dbraw/zinc/76/92/64/768769264.db2.gz RUVCRLJSVWADHD-OIPACUDHSA-N 1 1 335.448 0.182 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001055340171 768797527 /nfs/dbraw/zinc/79/75/27/768797527.db2.gz OGJIUWUCDIRRNN-TWMKSMIVSA-N 1 1 347.459 0.283 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001055359732 768813285 /nfs/dbraw/zinc/81/32/85/768813285.db2.gz ZHTVXBIMKXVDPV-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001055359732 768813288 /nfs/dbraw/zinc/81/32/88/768813288.db2.gz ZHTVXBIMKXVDPV-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993346824 768834426 /nfs/dbraw/zinc/83/44/26/768834426.db2.gz HMLZPMAVSLBCCN-SMDDNHRTSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993346824 768834439 /nfs/dbraw/zinc/83/44/39/768834439.db2.gz HMLZPMAVSLBCCN-SMDDNHRTSA-N 1 1 345.432 0.776 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]21 ZINC001042062183 782699007 /nfs/dbraw/zinc/69/90/07/782699007.db2.gz KIQRWVVLRJWGSR-CABCVRRESA-N 1 1 345.443 0.718 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCC)n1 ZINC001018254954 768978940 /nfs/dbraw/zinc/97/89/40/768978940.db2.gz ZOMQFSFBKAGEHV-GASCZTMLSA-N 1 1 328.416 0.965 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2cscn2)CC1 ZINC001055544191 769075695 /nfs/dbraw/zinc/07/56/95/769075695.db2.gz OLXUAQJVCJWASG-UHFFFAOYSA-N 1 1 346.456 0.867 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2cnsn2)CC1 ZINC001055572503 769149765 /nfs/dbraw/zinc/14/97/65/769149765.db2.gz GGRPGKWLZCJPGN-UHFFFAOYSA-N 1 1 349.460 0.508 20 30 ECEDMO C#CCCCC(=O)NC1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055578614 769174664 /nfs/dbraw/zinc/17/46/64/769174664.db2.gz QVNSPNJQMSGRHI-MRXNPFEDSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCCCC(=O)NC1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055578614 769174670 /nfs/dbraw/zinc/17/46/70/769174670.db2.gz QVNSPNJQMSGRHI-MRXNPFEDSA-N 1 1 348.491 0.438 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](C)OC)C2)CC1 ZINC001018358898 769187160 /nfs/dbraw/zinc/18/71/60/769187160.db2.gz WYBAWUYLOZNXNH-HOTGVXAUSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ncc[nH]3)C2)CC1 ZINC001018366189 769212211 /nfs/dbraw/zinc/21/22/11/769212211.db2.gz KWSZQEUUOXZNPL-HNNXBMFYSA-N 1 1 343.431 0.429 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H]1C ZINC000993527553 769228495 /nfs/dbraw/zinc/22/84/95/769228495.db2.gz JDPXUPUOEPOGMD-ZIAGYGMSSA-N 1 1 342.403 0.926 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000993538715 769242060 /nfs/dbraw/zinc/24/20/60/769242060.db2.gz BDQDFJJHALFXNB-NEPJUHHUSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC000993538715 769242066 /nfs/dbraw/zinc/24/20/66/769242066.db2.gz BDQDFJJHALFXNB-NEPJUHHUSA-N 1 1 339.417 0.533 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622484 769279045 /nfs/dbraw/zinc/27/90/45/769279045.db2.gz LVWVDYFCVRTDRH-QGZVFWFLSA-N 1 1 349.435 0.982 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H]1C ZINC000993584625 769300481 /nfs/dbraw/zinc/30/04/81/769300481.db2.gz AYPYDLBBSLFYTP-LSDHHAIUSA-N 1 1 341.477 0.404 20 30 ECEDMO Cc1nocc1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055631800 769305301 /nfs/dbraw/zinc/30/53/01/769305301.db2.gz KTGCSNMENAZMAB-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001055632226 769306343 /nfs/dbraw/zinc/30/63/43/769306343.db2.gz QUHUONORJIJBEF-XJKSGUPXSA-N 1 1 349.479 0.183 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055632328 769306663 /nfs/dbraw/zinc/30/66/63/769306663.db2.gz SAJNCSQCCAEBBO-GJZGRUSLSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055632328 769306669 /nfs/dbraw/zinc/30/66/69/769306669.db2.gz SAJNCSQCCAEBBO-GJZGRUSLSA-N 1 1 349.479 0.185 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H]1C ZINC000993625276 769437136 /nfs/dbraw/zinc/43/71/36/769437136.db2.gz SWHMAORJMQSGGR-KBPBESRZSA-N 1 1 341.415 0.937 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H]1C ZINC000993625276 769437143 /nfs/dbraw/zinc/43/71/43/769437143.db2.gz SWHMAORJMQSGGR-KBPBESRZSA-N 1 1 341.415 0.937 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC000993670825 769457667 /nfs/dbraw/zinc/45/76/67/769457667.db2.gz LPCQPSPYDLSTRC-ZIAGYGMSSA-N 1 1 329.404 0.651 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC000993680839 769471882 /nfs/dbraw/zinc/47/18/82/769471882.db2.gz XDDHMCGMCOUWQI-HUUCEWRRSA-N 1 1 341.415 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)C(C)C)C1 ZINC001055778077 769683363 /nfs/dbraw/zinc/68/33/63/769683363.db2.gz UZCUILWPWBTEDO-YJBOKZPZSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)C(C)C)C1 ZINC001055778077 769683371 /nfs/dbraw/zinc/68/33/71/769683371.db2.gz UZCUILWPWBTEDO-YJBOKZPZSA-N 1 1 335.448 0.210 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nc3ccccc3c(=O)n2C)C1 ZINC001018632780 769684179 /nfs/dbraw/zinc/68/41/79/769684179.db2.gz PNPVJVRLYJMUHA-STQMWFEESA-N 1 1 339.399 0.784 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001078359920 782771468 /nfs/dbraw/zinc/77/14/68/782771468.db2.gz HSQXLERIDUGKIZ-JSGCOSHPSA-N 1 1 346.435 0.559 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3noc4c3COCC4)C2)[nH]1 ZINC001018731620 769820849 /nfs/dbraw/zinc/82/08/49/769820849.db2.gz DCHUPEYUNOVIJC-LBPRGKRZSA-N 1 1 341.371 0.951 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)c[nH]1 ZINC001018737911 769829987 /nfs/dbraw/zinc/82/99/87/769829987.db2.gz JPWMJZQFZZDQNN-LBPRGKRZSA-N 1 1 341.375 0.012 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]21 ZINC001042115771 782796287 /nfs/dbraw/zinc/79/62/87/782796287.db2.gz BPBDTGIBZBQWGK-GOEBONIOSA-N 1 1 326.400 0.279 20 30 ECEDMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCCO2)nn1 ZINC001078373929 782799152 /nfs/dbraw/zinc/79/91/52/782799152.db2.gz NDSJDQRXYFGUKA-CQSZACIVSA-N 1 1 343.391 0.036 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001018899317 770236206 /nfs/dbraw/zinc/23/62/06/770236206.db2.gz PJBFIFXADULVLF-QAPCUYQASA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001018899317 770236213 /nfs/dbraw/zinc/23/62/13/770236213.db2.gz PJBFIFXADULVLF-QAPCUYQASA-N 1 1 349.475 0.980 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC3(CN(C(=O)[C@H]4C[N@H+](C)CCO4)C3)C2)C1 ZINC001018899837 770236232 /nfs/dbraw/zinc/23/62/32/770236232.db2.gz WMWFMSHWCZSQRD-OAHLLOKOSA-N 1 1 347.459 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C3)C2)C1 ZINC001018899837 770236234 /nfs/dbraw/zinc/23/62/34/770236234.db2.gz WMWFMSHWCZSQRD-OAHLLOKOSA-N 1 1 347.459 0.734 20 30 ECEDMO N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001018905199 770247150 /nfs/dbraw/zinc/24/71/50/770247150.db2.gz WIYDWMBSWWMZAQ-HNNXBMFYSA-N 1 1 333.413 0.293 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001018912109 770261792 /nfs/dbraw/zinc/26/17/92/770261792.db2.gz JCSULYGCOYNHKW-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@H]1C ZINC000994186764 770274776 /nfs/dbraw/zinc/27/47/76/770274776.db2.gz FZTMUNOBARESKL-UKRRQHHQSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@H]1C ZINC000994186764 770274777 /nfs/dbraw/zinc/27/47/77/770274777.db2.gz FZTMUNOBARESKL-UKRRQHHQSA-N 1 1 331.420 0.846 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)(NC(=O)C#CC3CC3)C2)CC[N@H+]1C ZINC001055941284 770302868 /nfs/dbraw/zinc/30/28/68/770302868.db2.gz TYVCIAXVMLDLEO-OGWOLHLISA-N 1 1 347.459 0.210 20 30 ECEDMO CN1C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)CC1=O ZINC001018934079 770308543 /nfs/dbraw/zinc/30/85/43/770308543.db2.gz DYDKVQDWMVFTPC-ZBFHGGJFSA-N 1 1 344.390 0.866 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCN(c3cncc(C#N)n3)CC2)no1 ZINC001055945548 770313212 /nfs/dbraw/zinc/31/32/12/770313212.db2.gz OTPNPHNLFNQTDJ-UHFFFAOYSA-N 1 1 341.375 0.360 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC(C)C)C1 ZINC001055952032 770337783 /nfs/dbraw/zinc/33/77/83/770337783.db2.gz CXUUYOVPLSLSDR-GOSISDBHSA-N 1 1 346.431 0.321 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@](CO)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001055953976 770350382 /nfs/dbraw/zinc/35/03/82/770350382.db2.gz MDLMJOCKGSIGOV-KXBFYZLASA-N 1 1 349.475 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)[C@H]1C ZINC000994239091 770377141 /nfs/dbraw/zinc/37/71/41/770377141.db2.gz JWSJTYDLAOXGRI-ABAIWWIYSA-N 1 1 325.368 0.786 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)[C@H]1C ZINC000994239091 770377150 /nfs/dbraw/zinc/37/71/50/770377150.db2.gz JWSJTYDLAOXGRI-ABAIWWIYSA-N 1 1 325.368 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)[C@H]2C)cn1 ZINC000994244143 770397799 /nfs/dbraw/zinc/39/77/99/770397799.db2.gz BHAXIEJANCDNBF-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)[C@H]2C)cn1 ZINC000994244143 770397808 /nfs/dbraw/zinc/39/78/08/770397808.db2.gz BHAXIEJANCDNBF-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C=C(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055972503 770407302 /nfs/dbraw/zinc/40/73/02/770407302.db2.gz FOGMRHARVIJYMU-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ncnn2C(C)C)C1 ZINC001018985895 770483970 /nfs/dbraw/zinc/48/39/70/770483970.db2.gz LBLYKEAKMLYZJV-HOTGVXAUSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ncnn2C(C)C)C1 ZINC001018985895 770483975 /nfs/dbraw/zinc/48/39/75/770483975.db2.gz LBLYKEAKMLYZJV-HOTGVXAUSA-N 1 1 344.463 0.647 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@@H]21 ZINC001042142996 782844158 /nfs/dbraw/zinc/84/41/58/782844158.db2.gz SGJKYZFCWFSQOH-HOCLYGCPSA-N 1 1 346.431 0.612 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001056020654 770578475 /nfs/dbraw/zinc/57/84/75/770578475.db2.gz UWWZDQCUJLGSTG-UKRRQHHQSA-N 1 1 342.447 0.757 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)[C@H]1C ZINC000994296542 770590165 /nfs/dbraw/zinc/59/01/65/770590165.db2.gz TWOXNMKBKITEKT-WMLDXEAASA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)[C@H]1C ZINC000994296542 770590173 /nfs/dbraw/zinc/59/01/73/770590173.db2.gz TWOXNMKBKITEKT-WMLDXEAASA-N 1 1 327.428 0.926 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC000994335032 770634262 /nfs/dbraw/zinc/63/42/62/770634262.db2.gz GHBYQKIUTXGXOS-CHWSQXEVSA-N 1 1 334.420 0.309 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCCCS3(=O)=O)C[C@H]21 ZINC001042152640 782859037 /nfs/dbraw/zinc/85/90/37/782859037.db2.gz OOWAEDQSLGUHGC-LSDHHAIUSA-N 1 1 341.477 0.521 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001056060777 770710743 /nfs/dbraw/zinc/71/07/43/770710743.db2.gz NEWKWVVJCOAZKL-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001056124454 770883410 /nfs/dbraw/zinc/88/34/10/770883410.db2.gz MNAYFBHABPNIIK-APWZRJJASA-N 1 1 349.475 0.744 20 30 ECEDMO COc1ccc(CN2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1C#N ZINC001031383992 770994864 /nfs/dbraw/zinc/99/48/64/770994864.db2.gz SRDKUJFKPGKSNK-AWEZNQCLSA-N 1 1 328.416 0.819 20 30 ECEDMO C#C[C@H](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)C1CCOCC1 ZINC000917670130 771021469 /nfs/dbraw/zinc/02/14/69/771021469.db2.gz JUGDUIGRHGFPHK-HOTGVXAUSA-N 1 1 326.462 0.820 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001019254186 771066162 /nfs/dbraw/zinc/06/61/62/771066162.db2.gz CMRGSKJJDYVEBJ-HUUCEWRRSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001019254186 771066168 /nfs/dbraw/zinc/06/61/68/771066168.db2.gz CMRGSKJJDYVEBJ-HUUCEWRRSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN([C@H](C)c3n[nH]c(CC)n3)C2)CC1 ZINC001031435053 771069300 /nfs/dbraw/zinc/06/93/00/771069300.db2.gz OOJWBHXKMSASGJ-CYBMUJFWSA-N 1 1 344.463 0.574 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN([C@@H](C)c3n[nH]c(CC)n3)C2)CC1 ZINC001031435054 771069312 /nfs/dbraw/zinc/06/93/12/771069312.db2.gz OOJWBHXKMSASGJ-ZDUSSCGKSA-N 1 1 344.463 0.574 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C#CC(C)C ZINC001212231044 771095610 /nfs/dbraw/zinc/09/56/10/771095610.db2.gz JCVOZODCBNZLAQ-HZPDHXFCSA-N 1 1 331.416 0.360 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccc(F)cn2)C1 ZINC000994557032 771106284 /nfs/dbraw/zinc/10/62/84/771106284.db2.gz VPDCJOLUYNFWET-INIZCTEOSA-N 1 1 344.390 0.188 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccc(F)cn2)C1 ZINC000994557032 771106287 /nfs/dbraw/zinc/10/62/87/771106287.db2.gz VPDCJOLUYNFWET-INIZCTEOSA-N 1 1 344.390 0.188 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1c[nH+]cc1C ZINC001056314240 771111322 /nfs/dbraw/zinc/11/13/22/771111322.db2.gz LIMFGDFOVUCHQF-HOTGVXAUSA-N 1 1 346.431 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC(C)(C)C1 ZINC001089420741 771113746 /nfs/dbraw/zinc/11/37/46/771113746.db2.gz OEVJIPQVXPFNMV-HNNXBMFYSA-N 1 1 342.443 0.963 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001019363015 771205556 /nfs/dbraw/zinc/20/55/56/771205556.db2.gz KQTCLPCUEIRWDO-KDOFPFPSSA-N 1 1 330.432 0.693 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001056401448 771226351 /nfs/dbraw/zinc/22/63/51/771226351.db2.gz GSEBWWDAHUMJJD-BRWVUGGUSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cncnc3C)C2)C1=O ZINC001031560842 771286646 /nfs/dbraw/zinc/28/66/46/771286646.db2.gz STKXMZKBVGSHDJ-HNNXBMFYSA-N 1 1 329.404 0.234 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)ncc3C)C[C@H]21 ZINC001056467345 771304931 /nfs/dbraw/zinc/30/49/31/771304931.db2.gz QGYHUAYYVAADSH-VVLHAWIVSA-N 1 1 339.443 0.742 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)ncc3C)C[C@H]21 ZINC001056467345 771304934 /nfs/dbraw/zinc/30/49/34/771304934.db2.gz QGYHUAYYVAADSH-VVLHAWIVSA-N 1 1 339.443 0.742 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001019457127 771316367 /nfs/dbraw/zinc/31/63/67/771316367.db2.gz GNUUMCYGYPIECR-OAGGEKHMSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC)C2)nn1 ZINC001019493649 771358309 /nfs/dbraw/zinc/35/83/09/771358309.db2.gz HWSXEFKCYAYBIF-ZDUSSCGKSA-N 1 1 344.423 0.470 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)CCOCCNc2ccncc2C#N)CC[N@H+]1C ZINC001127505537 771384216 /nfs/dbraw/zinc/38/42/16/771384216.db2.gz SLVODMJPBTYAMF-GDBMZVCRSA-N 1 1 345.447 0.602 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001056599225 771419331 /nfs/dbraw/zinc/41/93/31/771419331.db2.gz COGHXKCHJFEXQM-OCCSQVGLSA-N 1 1 349.822 0.950 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001056599225 771419332 /nfs/dbraw/zinc/41/93/32/771419332.db2.gz COGHXKCHJFEXQM-OCCSQVGLSA-N 1 1 349.822 0.950 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001056666345 771489599 /nfs/dbraw/zinc/48/95/99/771489599.db2.gz MFBQBFAZGRSENZ-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO N#Cc1nccc(N[C@@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC001056680104 771506706 /nfs/dbraw/zinc/50/67/06/771506706.db2.gz VNRNYBPYIKPEEV-DYVFJYSZSA-N 1 1 326.404 0.269 20 30 ECEDMO CC(C)N1CC[C@H]([NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001031624568 771512792 /nfs/dbraw/zinc/51/27/92/771512792.db2.gz YKOPUNZZODRXMT-HNNXBMFYSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)C3CCC(O)CC3)C2)C1=O ZINC001031640372 771568515 /nfs/dbraw/zinc/56/85/15/771568515.db2.gz NYZOYAVXVFOZNG-UYSNPLJNSA-N 1 1 335.448 0.372 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001056737705 771574219 /nfs/dbraw/zinc/57/42/19/771574219.db2.gz QGFUXAIYINOUEU-CYBMUJFWSA-N 1 1 325.376 0.875 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 ZINC001056796155 771654687 /nfs/dbraw/zinc/65/46/87/771654687.db2.gz BXNWGIDXRCKLHI-VXGBXAGGSA-N 1 1 325.376 0.963 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)cc1F ZINC001042210468 782942951 /nfs/dbraw/zinc/94/29/51/782942951.db2.gz JPXUSLPYWWTSOT-IUODEOHRSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)cc1F ZINC001042210468 782942957 /nfs/dbraw/zinc/94/29/57/782942957.db2.gz JPXUSLPYWWTSOT-IUODEOHRSA-N 1 1 330.363 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2nc(C)cc(OC)n2)C1 ZINC001056811435 771674102 /nfs/dbraw/zinc/67/41/02/771674102.db2.gz WXUUIAMZTNFGQQ-CABCVRRESA-N 1 1 343.431 0.904 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2nc(C)cc(OC)n2)C1 ZINC001056811435 771674103 /nfs/dbraw/zinc/67/41/03/771674103.db2.gz WXUUIAMZTNFGQQ-CABCVRRESA-N 1 1 343.431 0.904 20 30 ECEDMO Cc1cc(N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001056812205 771675213 /nfs/dbraw/zinc/67/52/13/771675213.db2.gz OGSHKHDVYLGMEZ-FRFSOERESA-N 1 1 343.431 0.416 20 30 ECEDMO Cc1cc(N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001056812205 771675214 /nfs/dbraw/zinc/67/52/14/771675214.db2.gz OGSHKHDVYLGMEZ-FRFSOERESA-N 1 1 343.431 0.416 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3nccnc3C#N)C2)C1 ZINC001057029972 771967160 /nfs/dbraw/zinc/96/71/60/771967160.db2.gz WJKUZZRDJOBZBV-KBPBESRZSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2cc(F)ncn2)C1 ZINC001057060007 772013360 /nfs/dbraw/zinc/01/33/60/772013360.db2.gz DMIBSHMKNCZXIM-KGLIPLIRSA-N 1 1 331.395 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2cc(F)ncn2)C1 ZINC001057060007 772013365 /nfs/dbraw/zinc/01/33/65/772013365.db2.gz DMIBSHMKNCZXIM-KGLIPLIRSA-N 1 1 331.395 0.750 20 30 ECEDMO Cc1nc(N2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)ccc1C#N ZINC001057115282 772108601 /nfs/dbraw/zinc/10/86/01/772108601.db2.gz LBARTJOMYRGSPL-MRXNPFEDSA-N 1 1 343.431 0.631 20 30 ECEDMO Cc1nc(N2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)ccc1C#N ZINC001057115282 772108603 /nfs/dbraw/zinc/10/86/03/772108603.db2.gz LBARTJOMYRGSPL-MRXNPFEDSA-N 1 1 343.431 0.631 20 30 ECEDMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C1CC1 ZINC001020058336 772115004 /nfs/dbraw/zinc/11/50/04/772115004.db2.gz BZMKHEFQGKFYDB-YUSALJHKSA-N 1 1 340.391 0.819 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001020088220 772143878 /nfs/dbraw/zinc/14/38/78/772143878.db2.gz FIQPUPAGWSEZHB-HAQNSBGRSA-N 1 1 328.380 0.504 20 30 ECEDMO CN(C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001020088229 772144062 /nfs/dbraw/zinc/14/40/62/772144062.db2.gz FQABMYZJSPMKPJ-XYPYZODXSA-N 1 1 329.364 0.386 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccon2)[C@H]1C ZINC001020090903 772147799 /nfs/dbraw/zinc/14/77/99/772147799.db2.gz QUYJLYZMWXDARL-YDHLFZDLSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccon2)[C@H]1C ZINC001020090903 772147802 /nfs/dbraw/zinc/14/78/02/772147802.db2.gz QUYJLYZMWXDARL-YDHLFZDLSA-N 1 1 330.388 0.491 20 30 ECEDMO CCc1nc(C#N)cc(N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001057141889 772155487 /nfs/dbraw/zinc/15/54/87/772155487.db2.gz CMLXIDOWWRDALG-CQSZACIVSA-N 1 1 342.447 0.901 20 30 ECEDMO N#Cc1cncc(N2CCCN(C(=O)CC[NH+]3CCOCC3)CC2)n1 ZINC001057156265 772184816 /nfs/dbraw/zinc/18/48/16/772184816.db2.gz WBOGSEZDRYSMAZ-UHFFFAOYSA-N 1 1 344.419 0.109 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001020124030 772187633 /nfs/dbraw/zinc/18/76/33/772187633.db2.gz VEUZTOOIEOGKDK-WHOFXGATSA-N 1 1 329.404 0.700 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001057174797 772215772 /nfs/dbraw/zinc/21/57/72/772215772.db2.gz IOPCIXBYUNNQNX-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(C)cn2)[C@H]1C ZINC001020182568 772254916 /nfs/dbraw/zinc/25/49/16/772254916.db2.gz CKVPDAZORRKYFP-DZKIICNBSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(C)cn2)[C@H]1C ZINC001020182568 772254918 /nfs/dbraw/zinc/25/49/18/772254918.db2.gz CKVPDAZORRKYFP-DZKIICNBSA-N 1 1 343.431 0.237 20 30 ECEDMO C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001057196368 772256327 /nfs/dbraw/zinc/25/63/27/772256327.db2.gz FDGHPFYUYAXFDR-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001057210749 772283781 /nfs/dbraw/zinc/28/37/81/772283781.db2.gz RFHBQYPHZFXKLQ-GJZGRUSLSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001057210750 772283994 /nfs/dbraw/zinc/28/39/94/772283994.db2.gz RFHBQYPHZFXKLQ-HUUCEWRRSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C=C/C(C)(C)C ZINC001057216971 772296283 /nfs/dbraw/zinc/29/62/83/772296283.db2.gz LMZBTYPUHMXPIV-FDMDGMSGSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C=C/C(C)(C)C ZINC001057216971 772296288 /nfs/dbraw/zinc/29/62/88/772296288.db2.gz LMZBTYPUHMXPIV-FDMDGMSGSA-N 1 1 349.475 0.623 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001042263461 783001734 /nfs/dbraw/zinc/00/17/34/783001734.db2.gz VAOZWWNRKPOEFE-HUUCEWRRSA-N 1 1 330.436 0.743 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057234883 772319010 /nfs/dbraw/zinc/31/90/10/772319010.db2.gz TZZFWWDMQHBGNL-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001020250735 772351804 /nfs/dbraw/zinc/35/18/04/772351804.db2.gz NXAYSLBVGZDFGA-DZKIICNBSA-N 1 1 330.436 0.132 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@H]21 ZINC001042267245 783010272 /nfs/dbraw/zinc/01/02/72/783010272.db2.gz WMZJVFDTLVPXGV-DZGCQCFKSA-N 1 1 339.399 0.995 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]21 ZINC001042267592 783010627 /nfs/dbraw/zinc/01/06/27/783010627.db2.gz YVQAJAOKDQKDSG-ZFWWWQNUSA-N 1 1 339.399 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C=C1CCC1 ZINC001057329932 772472817 /nfs/dbraw/zinc/47/28/17/772472817.db2.gz LNBIMULJDIQSDY-INIZCTEOSA-N 1 1 333.432 0.131 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C=C1CCC1 ZINC001057329932 772472822 /nfs/dbraw/zinc/47/28/22/772472822.db2.gz LNBIMULJDIQSDY-INIZCTEOSA-N 1 1 333.432 0.131 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3cnc(C#N)cn3)CC2)C1 ZINC001057337176 772483097 /nfs/dbraw/zinc/48/30/97/772483097.db2.gz NXPHNRPMESKOJX-OAHLLOKOSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3cnc(C#N)cn3)CC2)C1 ZINC001057337176 772483098 /nfs/dbraw/zinc/48/30/98/772483098.db2.gz NXPHNRPMESKOJX-OAHLLOKOSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001078472602 783017726 /nfs/dbraw/zinc/01/77/26/783017726.db2.gz BPQHTXKJMMYTJZ-ULQDDVLXSA-N 1 1 348.491 0.437 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(Nc2cncc(C#N)n2)CC1 ZINC001057393199 772561655 /nfs/dbraw/zinc/56/16/55/772561655.db2.gz WSWXGDLARPSQET-UHFFFAOYSA-N 1 1 325.376 0.956 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(Nc3ccc(C#N)nn3)CC2)O1 ZINC001057452705 772634502 /nfs/dbraw/zinc/63/45/02/772634502.db2.gz VRWLGYYPNJMSIW-IUODEOHRSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(Nc3ccc(C#N)nn3)CC2)O1 ZINC001057452705 772634506 /nfs/dbraw/zinc/63/45/06/772634506.db2.gz VRWLGYYPNJMSIW-IUODEOHRSA-N 1 1 344.419 0.470 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(CNc3nccnc3C#N)CC2)C1 ZINC001057483526 772671871 /nfs/dbraw/zinc/67/18/71/772671871.db2.gz AOTKMLMDGAQZSW-HNNXBMFYSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(CNc3nccnc3C#N)CC2)C1 ZINC001057483526 772671876 /nfs/dbraw/zinc/67/18/76/772671876.db2.gz AOTKMLMDGAQZSW-HNNXBMFYSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(CNc3cnc(C#N)cn3)CC2)C1 ZINC001057483594 772671966 /nfs/dbraw/zinc/67/19/66/772671966.db2.gz DHSLHLMGCOGFQL-OAHLLOKOSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(CNc3cnc(C#N)cn3)CC2)C1 ZINC001057483594 772671970 /nfs/dbraw/zinc/67/19/70/772671970.db2.gz DHSLHLMGCOGFQL-OAHLLOKOSA-N 1 1 344.419 0.329 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001057533005 772728004 /nfs/dbraw/zinc/72/80/04/772728004.db2.gz GJXGRJYWKNWTTA-SJORKVTESA-N 1 1 347.459 0.211 20 30 ECEDMO N#Cc1cncc(N[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001057667885 772891264 /nfs/dbraw/zinc/89/12/64/772891264.db2.gz KISHSYWQPFMGQI-CQSZACIVSA-N 1 1 344.419 0.473 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057738891 772955928 /nfs/dbraw/zinc/95/59/28/772955928.db2.gz IAIFENLPDUMFCM-ZIAGYGMSSA-N 1 1 325.453 0.476 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001057748637 772962810 /nfs/dbraw/zinc/96/28/10/772962810.db2.gz KBFGHCVWNMASNA-LSDHHAIUSA-N 1 1 339.480 0.866 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001057759119 772968073 /nfs/dbraw/zinc/96/80/73/772968073.db2.gz GCVVHYFKBQWCHR-ZIAGYGMSSA-N 1 1 328.420 0.657 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057791537 772987455 /nfs/dbraw/zinc/98/74/55/772987455.db2.gz VZQIRDSGBBDZJL-AWEZNQCLSA-N 1 1 328.420 0.633 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001057807797 773008311 /nfs/dbraw/zinc/00/83/11/773008311.db2.gz QZLVNWCSTIKXQM-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCC1 ZINC001057821385 773030850 /nfs/dbraw/zinc/03/08/50/773030850.db2.gz CLBMMDBCYMBTKB-JKSUJKDBSA-N 1 1 349.475 0.315 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)Cn2cc[nH+]c2C)CCC1 ZINC001057821503 773030922 /nfs/dbraw/zinc/03/09/22/773030922.db2.gz HNICRQJHDIILRO-UHFFFAOYSA-N 1 1 346.431 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@@H](C)C1CC1 ZINC001057870388 773102469 /nfs/dbraw/zinc/10/24/69/773102469.db2.gz RQLAWTZBVOCQEP-WBVHZDCISA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@@H](C)C1CC1 ZINC001057870388 773102471 /nfs/dbraw/zinc/10/24/71/773102471.db2.gz RQLAWTZBVOCQEP-WBVHZDCISA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC1(C)C ZINC001057961151 773290663 /nfs/dbraw/zinc/29/06/63/773290663.db2.gz KQDYBYNIQXCBEY-CABCVRRESA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC1(C)C ZINC001057961151 773290667 /nfs/dbraw/zinc/29/06/67/773290667.db2.gz KQDYBYNIQXCBEY-CABCVRRESA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057970499 773309784 /nfs/dbraw/zinc/30/97/84/773309784.db2.gz XMKQLCNVDBSDQY-HNNXBMFYSA-N 1 1 338.415 0.531 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057970499 773309788 /nfs/dbraw/zinc/30/97/88/773309788.db2.gz XMKQLCNVDBSDQY-HNNXBMFYSA-N 1 1 338.415 0.531 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058040982 773411308 /nfs/dbraw/zinc/41/13/08/773411308.db2.gz JLQASLDHRCQPCR-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001040608640 783096093 /nfs/dbraw/zinc/09/60/93/783096093.db2.gz GMLRSUFILUDKMK-LPHOPBHVSA-N 1 1 349.475 0.744 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(c2nccnc2C#N)CC1 ZINC001058087287 773508602 /nfs/dbraw/zinc/50/86/02/773508602.db2.gz MPBLOMDVPGZVQY-UKRRQHHQSA-N 1 1 342.447 0.973 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058134285 773604605 /nfs/dbraw/zinc/60/46/05/773604605.db2.gz ADTGUCWRZAVRPA-UKRRQHHQSA-N 1 1 344.419 0.072 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058134285 773604607 /nfs/dbraw/zinc/60/46/07/773604607.db2.gz ADTGUCWRZAVRPA-UKRRQHHQSA-N 1 1 344.419 0.072 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058158370 773661491 /nfs/dbraw/zinc/66/14/91/773661491.db2.gz XFADZNMONCZPTJ-AWEZNQCLSA-N 1 1 325.453 0.478 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058163957 773674444 /nfs/dbraw/zinc/67/44/44/773674444.db2.gz DGSWPGNOBHTPTE-CQSZACIVSA-N 1 1 325.376 0.638 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058241754 773830337 /nfs/dbraw/zinc/83/03/37/773830337.db2.gz YWDCCPMKWMMZDZ-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCCOCC(=O)NCCN(CCO)C(=O)CC[N@H+](C)CCC ZINC001058252479 773844990 /nfs/dbraw/zinc/84/49/90/773844990.db2.gz LRKCFGPTZFWXAM-UHFFFAOYSA-N 1 1 343.468 0.248 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(C)ncn2)C1 ZINC001058263829 773875116 /nfs/dbraw/zinc/87/51/16/773875116.db2.gz BCWAXBVMSAKILJ-CVEARBPZSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(C)ncn2)C1 ZINC001058263829 773875117 /nfs/dbraw/zinc/87/51/17/773875117.db2.gz BCWAXBVMSAKILJ-CVEARBPZSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(F)ncn2)C1 ZINC001058263940 773875509 /nfs/dbraw/zinc/87/55/09/773875509.db2.gz FPZVLHQEXCCZJB-KGLIPLIRSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(F)ncn2)C1 ZINC001058263940 773875517 /nfs/dbraw/zinc/87/55/17/773875517.db2.gz FPZVLHQEXCCZJB-KGLIPLIRSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058264134 773875789 /nfs/dbraw/zinc/87/57/89/773875789.db2.gz OEBKMHLCOSVMGF-GJZGRUSLSA-N 1 1 338.415 0.531 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058264134 773875796 /nfs/dbraw/zinc/87/57/96/773875796.db2.gz OEBKMHLCOSVMGF-GJZGRUSLSA-N 1 1 338.415 0.531 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040631195 783137671 /nfs/dbraw/zinc/13/76/71/783137671.db2.gz ZLVJZMSBIWTFQJ-YJBOKZPZSA-N 1 1 348.447 0.873 20 30 ECEDMO Cc1nc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001058316821 773960269 /nfs/dbraw/zinc/96/02/69/773960269.db2.gz IQVNTQSCFSTMKS-LSDHHAIUSA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1nc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001058316821 773960274 /nfs/dbraw/zinc/96/02/74/773960274.db2.gz IQVNTQSCFSTMKS-LSDHHAIUSA-N 1 1 329.404 0.287 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3snc(C)c3C#N)C2)C1 ZINC001058376310 774060190 /nfs/dbraw/zinc/06/01/90/774060190.db2.gz JXJQCDONWLQIGX-OCCSQVGLSA-N 1 1 349.460 0.739 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3snc(C)c3C#N)C2)C1 ZINC001058376310 774060198 /nfs/dbraw/zinc/06/01/98/774060198.db2.gz JXJQCDONWLQIGX-OCCSQVGLSA-N 1 1 349.460 0.739 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058381972 774069526 /nfs/dbraw/zinc/06/95/26/774069526.db2.gz ZSFKYYYJBFQJQV-KBPBESRZSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1 ZINC001040636974 783149927 /nfs/dbraw/zinc/14/99/27/783149927.db2.gz RBOLGPCLIDRDOL-KCQAQPDRSA-N 1 1 326.404 0.337 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001058437781 774179201 /nfs/dbraw/zinc/17/92/01/774179201.db2.gz KCKDRMBMOPZSMT-UONOGXRCSA-N 1 1 336.436 0.587 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(CC)CCC1 ZINC001058441146 774185671 /nfs/dbraw/zinc/18/56/71/774185671.db2.gz PIZCNEISTKZABV-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(CC)CCC1 ZINC001058441146 774185677 /nfs/dbraw/zinc/18/56/77/774185677.db2.gz PIZCNEISTKZABV-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001058442781 774190170 /nfs/dbraw/zinc/19/01/70/774190170.db2.gz QPQUHFWQPNGGKP-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058464264 774234146 /nfs/dbraw/zinc/23/41/46/774234146.db2.gz RTYSKEQTHQIPJI-HZPDHXFCSA-N 1 1 339.480 0.868 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001058492437 774296222 /nfs/dbraw/zinc/29/62/22/774296222.db2.gz WBJNITPLQIGUBK-CYBMUJFWSA-N 1 1 339.403 0.811 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)CC[N@H+]1C ZINC001058525488 774362498 /nfs/dbraw/zinc/36/24/98/774362498.db2.gz RFXMLMIXKJKVQA-IHRRRGAJSA-N 1 1 328.420 0.773 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)C1 ZINC001058543290 774399656 /nfs/dbraw/zinc/39/96/56/774399656.db2.gz PRLQLSRHMJNUPK-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001058587723 774484482 /nfs/dbraw/zinc/48/44/82/774484482.db2.gz IMWOJVYGKNEMNU-VNHYZAJKSA-N 1 1 344.419 0.071 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001058587723 774484485 /nfs/dbraw/zinc/48/44/85/774484485.db2.gz IMWOJVYGKNEMNU-VNHYZAJKSA-N 1 1 344.419 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nccc(OC)n2)C1 ZINC001058590019 774492211 /nfs/dbraw/zinc/49/22/11/774492211.db2.gz RXXFNOAFDHDHLN-KBPBESRZSA-N 1 1 329.404 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nccc(OC)n2)C1 ZINC001058590019 774492214 /nfs/dbraw/zinc/49/22/14/774492214.db2.gz RXXFNOAFDHDHLN-KBPBESRZSA-N 1 1 329.404 0.278 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(c3cncc(C#N)n3)[C@H]2C1 ZINC001044942027 774749884 /nfs/dbraw/zinc/74/98/84/774749884.db2.gz VWEAGFNCVJJTEO-BPUTZDHNSA-N 1 1 340.431 0.870 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001044980178 774794340 /nfs/dbraw/zinc/79/43/40/774794340.db2.gz KUPBCRXSMIRSLZ-KGLIPLIRSA-N 1 1 325.453 0.476 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001045059090 774911068 /nfs/dbraw/zinc/91/10/68/774911068.db2.gz LUFQWAKVHCVGIU-RBSFLKMASA-N 1 1 337.464 0.618 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]2C[NH2+][C@@H](C)c2nnnn2C)c1 ZINC001045191709 775112036 /nfs/dbraw/zinc/11/20/36/775112036.db2.gz FPGDBWGQJVIRRC-WFASDCNBSA-N 1 1 339.403 0.542 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nncs2)nn1 ZINC001045232169 775190695 /nfs/dbraw/zinc/19/06/95/775190695.db2.gz JJCBDHTWWLWXOV-NSHDSACASA-N 1 1 333.421 0.710 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+][C@@H](C)c2nnnn2C)cn1 ZINC001045280661 775307897 /nfs/dbraw/zinc/30/78/97/775307897.db2.gz PDYUDWQQLBRVCN-WFASDCNBSA-N 1 1 339.403 0.542 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070022263 790354496 /nfs/dbraw/zinc/35/44/96/790354496.db2.gz FLSSGJAISIBBOO-ZNMIVQPWSA-N 1 1 346.435 0.255 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070022263 790354507 /nfs/dbraw/zinc/35/45/07/790354507.db2.gz FLSSGJAISIBBOO-ZNMIVQPWSA-N 1 1 346.435 0.255 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001044010896 775505662 /nfs/dbraw/zinc/50/56/62/775505662.db2.gz FQYIAVDASYYNLG-OAHLLOKOSA-N 1 1 347.459 0.211 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2cccnc2C)[C@@H](n2ccnn2)C1 ZINC001070026540 790372554 /nfs/dbraw/zinc/37/25/54/790372554.db2.gz BSSNCUUFDKVGNH-CVEARBPZSA-N 1 1 326.404 0.752 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2C)[C@@H](n2ccnn2)C1 ZINC001070026540 790372563 /nfs/dbraw/zinc/37/25/63/790372563.db2.gz BSSNCUUFDKVGNH-CVEARBPZSA-N 1 1 326.404 0.752 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001070029055 790382699 /nfs/dbraw/zinc/38/26/99/790382699.db2.gz SDQORSMQPIHHQF-CVEARBPZSA-N 1 1 349.398 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(C)CCCC2)C1 ZINC001044114687 775723604 /nfs/dbraw/zinc/72/36/04/775723604.db2.gz KOPYCNKYGJUFBO-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(C)CCCC2)C1 ZINC001044114687 775723612 /nfs/dbraw/zinc/72/36/12/775723612.db2.gz KOPYCNKYGJUFBO-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO Cn1nnc(C(=O)NC2(C)CC[NH+](CC#Cc3ccccc3)CC2)n1 ZINC001045522818 775728571 /nfs/dbraw/zinc/72/85/71/775728571.db2.gz VTRZDYZEBFEJAD-UHFFFAOYSA-N 1 1 338.415 0.846 20 30 ECEDMO C=CCCC(=O)NC1(CNC(=O)Cn2cc[nH+]c2C)CCOCC1 ZINC001070032308 790394410 /nfs/dbraw/zinc/39/44/10/790394410.db2.gz PYWVZMUEJNAYEU-UHFFFAOYSA-N 1 1 334.420 0.939 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCOCC1 ZINC001045733666 776106559 /nfs/dbraw/zinc/10/65/59/776106559.db2.gz NMEMXKAQNAISHZ-KFWWJZLASA-N 1 1 334.420 0.070 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCOCC1 ZINC001045733666 776106564 /nfs/dbraw/zinc/10/65/64/776106564.db2.gz NMEMXKAQNAISHZ-KFWWJZLASA-N 1 1 334.420 0.070 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001044336883 776180633 /nfs/dbraw/zinc/18/06/33/776180633.db2.gz XBSWHWMMUFRAFH-IRXDYDNUSA-N 1 1 348.491 0.790 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001070041938 790426972 /nfs/dbraw/zinc/42/69/72/790426972.db2.gz SGGSJEFCHUTONO-HNNXBMFYSA-N 1 1 335.448 0.522 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001044367295 776228869 /nfs/dbraw/zinc/22/88/69/776228869.db2.gz ZUJRCXFBMSDJRZ-UHFFFAOYSA-N 1 1 343.427 0.311 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044484012 776346531 /nfs/dbraw/zinc/34/65/31/776346531.db2.gz FFVHYDWNXUIIHT-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001079797915 776889478 /nfs/dbraw/zinc/88/94/78/776889478.db2.gz DNQKRZUWZFPENA-KBAYOESNSA-N 1 1 339.439 0.953 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001079797915 776889480 /nfs/dbraw/zinc/88/94/80/776889480.db2.gz DNQKRZUWZFPENA-KBAYOESNSA-N 1 1 339.439 0.953 20 30 ECEDMO CCN(C(=O)C[N@@H+](C)C(C)C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001079929398 777099730 /nfs/dbraw/zinc/09/97/30/777099730.db2.gz BQAGDGFMZXTYCB-UHFFFAOYSA-N 1 1 331.420 0.899 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079981601 777188174 /nfs/dbraw/zinc/18/81/74/777188174.db2.gz VRGKZDFHNWKDGK-GDBMZVCRSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](C)COC)C1 ZINC001080008958 777221144 /nfs/dbraw/zinc/22/11/44/777221144.db2.gz KKWOZOHXOMAUBT-ZBFHGGJFSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](C)COC)C1 ZINC001080008958 777221152 /nfs/dbraw/zinc/22/11/52/777221152.db2.gz KKWOZOHXOMAUBT-ZBFHGGJFSA-N 1 1 335.448 0.426 20 30 ECEDMO CCN(C(=O)Cn1c[nH+]cc1C)C1CN(C(=O)CSCC#N)C1 ZINC001080105531 777397719 /nfs/dbraw/zinc/39/77/19/777397719.db2.gz TYZVISUJNPZQAI-UHFFFAOYSA-N 1 1 335.433 0.508 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001080196395 777537806 /nfs/dbraw/zinc/53/78/06/777537806.db2.gz WVHLTIUXMAJIPL-BXUZGUMPSA-N 1 1 329.404 0.957 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 ZINC001043091402 777710565 /nfs/dbraw/zinc/71/05/65/777710565.db2.gz UDAJDKXMQNDAAV-UHFFFAOYSA-N 1 1 344.415 0.109 20 30 ECEDMO Cc1cc(N[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c(C#N)cn1 ZINC001043104233 777733863 /nfs/dbraw/zinc/73/38/63/777733863.db2.gz LKVHSFFAGRTIEP-JLZZUVOBSA-N 1 1 343.431 0.273 20 30 ECEDMO Cc1cc(N[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c(C#N)cn1 ZINC001043104233 777733869 /nfs/dbraw/zinc/73/38/69/777733869.db2.gz LKVHSFFAGRTIEP-JLZZUVOBSA-N 1 1 343.431 0.273 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080459280 777892038 /nfs/dbraw/zinc/89/20/38/777892038.db2.gz RHQALSFDLJMQRU-HPAJIGNASA-N 1 1 344.390 0.755 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080459280 777892044 /nfs/dbraw/zinc/89/20/44/777892044.db2.gz RHQALSFDLJMQRU-HPAJIGNASA-N 1 1 344.390 0.755 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cccnc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070094768 790585467 /nfs/dbraw/zinc/58/54/67/790585467.db2.gz BFNJKGBDNDDVQJ-CABCVRRESA-N 1 1 341.419 0.580 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070094768 790585474 /nfs/dbraw/zinc/58/54/74/790585474.db2.gz BFNJKGBDNDDVQJ-CABCVRRESA-N 1 1 341.419 0.580 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2C)cc1 ZINC001080575368 778072924 /nfs/dbraw/zinc/07/29/24/778072924.db2.gz RSRSYWYFGSXFET-JKIFEVAISA-N 1 1 343.427 0.883 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2C)cc1 ZINC001080575368 778072929 /nfs/dbraw/zinc/07/29/29/778072929.db2.gz RSRSYWYFGSXFET-JKIFEVAISA-N 1 1 343.427 0.883 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001043348355 778201653 /nfs/dbraw/zinc/20/16/53/778201653.db2.gz OKNNATPNRNKSPR-HNNXBMFYSA-N 1 1 347.459 0.211 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001043435396 778330053 /nfs/dbraw/zinc/33/00/53/778330053.db2.gz CVCIVEPQLQBTLT-KRWDZBQOSA-N 1 1 345.443 0.945 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001043532639 778482768 /nfs/dbraw/zinc/48/27/68/778482768.db2.gz BXEJEVMTEVXVGW-UHFFFAOYSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001070108221 790629188 /nfs/dbraw/zinc/62/91/88/790629188.db2.gz QDEDWAZFXDIOAN-OAGGEKHMSA-N 1 1 346.435 0.207 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC2(CN(C(=O)C#CC3CC3)C2)O1 ZINC001068586615 790637890 /nfs/dbraw/zinc/63/78/90/790637890.db2.gz HCZOEHIQJUZYBM-MRXNPFEDSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 ZINC001068589252 790646390 /nfs/dbraw/zinc/64/63/90/790646390.db2.gz RHPZXZFZGYUHGW-BHPKHCPMSA-N 1 1 328.420 0.853 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001042272058 779953485 /nfs/dbraw/zinc/95/34/85/779953485.db2.gz KSDLDZWJPSYGAH-NEPJUHHUSA-N 1 1 340.811 0.214 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001042272058 779953487 /nfs/dbraw/zinc/95/34/87/779953487.db2.gz KSDLDZWJPSYGAH-NEPJUHHUSA-N 1 1 340.811 0.214 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)C[N@@H+](C)C2CCC2)CCOCC1 ZINC001070148548 790756072 /nfs/dbraw/zinc/75/60/72/790756072.db2.gz JOVRINOCEJUZOL-UHFFFAOYSA-N 1 1 349.475 0.912 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 ZINC001042311010 780049271 /nfs/dbraw/zinc/04/92/71/780049271.db2.gz DGAFSZQUWJDBIY-KBPBESRZSA-N 1 1 334.420 0.379 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@H]21 ZINC001042315917 780060616 /nfs/dbraw/zinc/06/06/16/780060616.db2.gz FDIQMQJJROKETO-JKSUJKDBSA-N 1 1 328.416 0.498 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)N(C)C)[C@H]3C2)nc1 ZINC001042316440 780060672 /nfs/dbraw/zinc/06/06/72/780060672.db2.gz MKPAWQWKHISZOO-RDJZCZTQSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)nc1 ZINC001042316440 780060677 /nfs/dbraw/zinc/06/06/77/780060677.db2.gz MKPAWQWKHISZOO-RDJZCZTQSA-N 1 1 340.427 0.688 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001042345133 780108515 /nfs/dbraw/zinc/10/85/15/780108515.db2.gz IFZXACRFGYFZDJ-OLZOCXBDSA-N 1 1 339.823 0.811 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001042345133 780108517 /nfs/dbraw/zinc/10/85/17/780108517.db2.gz IFZXACRFGYFZDJ-OLZOCXBDSA-N 1 1 339.823 0.811 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCCO)[C@H]3C2)CC1 ZINC001042369288 780158293 /nfs/dbraw/zinc/15/82/93/780158293.db2.gz WBIBNMFTVRGMGQ-AEFFLSMTSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCCO)[C@H]3C2)CC1 ZINC001042369288 780158299 /nfs/dbraw/zinc/15/82/99/780158299.db2.gz WBIBNMFTVRGMGQ-AEFFLSMTSA-N 1 1 333.476 0.637 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]21 ZINC001042378918 780172013 /nfs/dbraw/zinc/17/20/13/780172013.db2.gz CABKZRZVCKSCEK-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@H]1C ZINC001042621487 780542112 /nfs/dbraw/zinc/54/21/12/780542112.db2.gz RWHKNMRLVKNDLN-KFWWJZLASA-N 1 1 343.431 0.524 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@H]1C ZINC001042621487 780542117 /nfs/dbraw/zinc/54/21/17/780542117.db2.gz RWHKNMRLVKNDLN-KFWWJZLASA-N 1 1 343.431 0.524 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001042633433 780563881 /nfs/dbraw/zinc/56/38/81/780563881.db2.gz DKLRHBICSFLIPZ-BPLDGKMQSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001078934034 780626793 /nfs/dbraw/zinc/62/67/93/780626793.db2.gz JZFFYCQRJMZLSO-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001078934034 780626795 /nfs/dbraw/zinc/62/67/95/780626795.db2.gz JZFFYCQRJMZLSO-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2COCCO2)C1 ZINC001079126909 780784833 /nfs/dbraw/zinc/78/48/33/780784833.db2.gz GFTXQUNAMBEONQ-KZNAEPCWSA-N 1 1 346.427 0.662 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2COCCO2)C1 ZINC001079126909 780784837 /nfs/dbraw/zinc/78/48/37/780784837.db2.gz GFTXQUNAMBEONQ-KZNAEPCWSA-N 1 1 346.427 0.662 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2cnon2)CC1 ZINC001079166246 780849296 /nfs/dbraw/zinc/84/92/96/780849296.db2.gz ZAZGFKMQZJSSQU-ZDUSSCGKSA-N 1 1 348.407 0.274 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042861716 780956123 /nfs/dbraw/zinc/95/61/23/780956123.db2.gz RJZUJEHEKSOYTG-IAOVAPTHSA-N 1 1 343.431 0.615 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079342489 781006438 /nfs/dbraw/zinc/00/64/38/781006438.db2.gz OZZCDOITTRJNKH-CQSZACIVSA-N 1 1 338.477 0.787 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001042941535 781074314 /nfs/dbraw/zinc/07/43/14/781074314.db2.gz NMYOHQLEADOODO-HZPDHXFCSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cc(OC)no2)C1 ZINC001042961342 781104337 /nfs/dbraw/zinc/10/43/37/781104337.db2.gz ZWVYDGXMFKACGE-HNNXBMFYSA-N 1 1 332.404 0.423 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cc(OC)no2)C1 ZINC001042961342 781104342 /nfs/dbraw/zinc/10/43/42/781104342.db2.gz ZWVYDGXMFKACGE-HNNXBMFYSA-N 1 1 332.404 0.423 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001079434318 781113256 /nfs/dbraw/zinc/11/32/56/781113256.db2.gz IYFSXUIHUFULDG-XYPHTWIQSA-N 1 1 329.400 0.910 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042977411 781127747 /nfs/dbraw/zinc/12/77/47/781127747.db2.gz LGNHRYKUGZUOQR-BPLDGKMQSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001079472431 781157021 /nfs/dbraw/zinc/15/70/21/781157021.db2.gz SDPFCJCJUFYLRI-GOEBONIOSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cscn3)C2)C1=O ZINC001079488445 781175029 /nfs/dbraw/zinc/17/50/29/781175029.db2.gz YWKAURMPRWKAGX-BZPMIXESSA-N 1 1 334.445 0.980 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cscn3)C2)C1=O ZINC001079488445 781175031 /nfs/dbraw/zinc/17/50/31/781175031.db2.gz YWKAURMPRWKAGX-BZPMIXESSA-N 1 1 334.445 0.980 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526541 781222969 /nfs/dbraw/zinc/22/29/69/781222969.db2.gz OGYBWONBMHNUES-DAXOMENPSA-N 1 1 348.472 0.887 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526541 781222974 /nfs/dbraw/zinc/22/29/74/781222974.db2.gz OGYBWONBMHNUES-DAXOMENPSA-N 1 1 348.472 0.887 20 30 ECEDMO C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079526568 781222992 /nfs/dbraw/zinc/22/29/92/781222992.db2.gz OSQWKJPLEYUHLT-RTXFEEFZSA-N 1 1 346.269 0.662 20 30 ECEDMO C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079526568 781222998 /nfs/dbraw/zinc/22/29/98/781222998.db2.gz OSQWKJPLEYUHLT-RTXFEEFZSA-N 1 1 346.269 0.662 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001079543518 781246956 /nfs/dbraw/zinc/24/69/56/781246956.db2.gz FWFKSNFURDYBSA-DAXOMENPSA-N 1 1 341.415 0.723 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001079543518 781246960 /nfs/dbraw/zinc/24/69/60/781246960.db2.gz FWFKSNFURDYBSA-DAXOMENPSA-N 1 1 341.415 0.723 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001043060056 781256343 /nfs/dbraw/zinc/25/63/43/781256343.db2.gz OSBLKKFXDVQJBM-CQSZACIVSA-N 1 1 337.464 0.620 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079589693 781291979 /nfs/dbraw/zinc/29/19/79/781291979.db2.gz LYTVXNFRXHFABQ-OSAQELSMSA-N 1 1 339.403 0.715 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041363747 781356612 /nfs/dbraw/zinc/35/66/12/781356612.db2.gz WJFHGYCYZOYTNQ-INIZCTEOSA-N 1 1 341.839 0.522 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041363747 781356621 /nfs/dbraw/zinc/35/66/21/781356621.db2.gz WJFHGYCYZOYTNQ-INIZCTEOSA-N 1 1 341.839 0.522 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041367135 781364264 /nfs/dbraw/zinc/36/42/64/781364264.db2.gz DFHYSYAZAGQZJX-NHYWBVRUSA-N 1 1 340.811 0.261 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041367135 781364271 /nfs/dbraw/zinc/36/42/71/781364271.db2.gz DFHYSYAZAGQZJX-NHYWBVRUSA-N 1 1 340.811 0.261 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)c1 ZINC001077649958 781425510 /nfs/dbraw/zinc/42/55/10/781425510.db2.gz MLEBKDSYBOJVSW-HZPDHXFCSA-N 1 1 342.424 0.537 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)c1 ZINC001077649958 781425516 /nfs/dbraw/zinc/42/55/16/781425516.db2.gz MLEBKDSYBOJVSW-HZPDHXFCSA-N 1 1 342.424 0.537 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077676965 781484912 /nfs/dbraw/zinc/48/49/12/781484912.db2.gz RDEWFYXTZJHBPA-BMGDILEWSA-N 1 1 342.443 0.704 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001077685711 781512475 /nfs/dbraw/zinc/51/24/75/781512475.db2.gz ZZYWBKSEYHQXCJ-HZPDHXFCSA-N 1 1 334.420 0.621 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC001077737079 781621317 /nfs/dbraw/zinc/62/13/17/781621317.db2.gz XHMLZFHCHGOXLN-UKRRQHHQSA-N 1 1 330.388 0.479 20 30 ECEDMO C#CCCCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001077741161 781630025 /nfs/dbraw/zinc/63/00/25/781630025.db2.gz RWVBACXUGORIJM-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CCCCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001077741161 781630028 /nfs/dbraw/zinc/63/00/28/781630028.db2.gz RWVBACXUGORIJM-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001077771068 781672136 /nfs/dbraw/zinc/67/21/36/781672136.db2.gz VMXCCGNZPBJZRP-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3csc(C)c3)C[C@H]2O)nn1 ZINC001077801542 781722549 /nfs/dbraw/zinc/72/25/49/781722549.db2.gz VSVFYSRINDXNDN-UKRRQHHQSA-N 1 1 347.444 0.809 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)c3)C[C@H]2O)nn1 ZINC001077801542 781722556 /nfs/dbraw/zinc/72/25/56/781722556.db2.gz VSVFYSRINDXNDN-UKRRQHHQSA-N 1 1 347.444 0.809 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(C(C)(C)C)c2=O)C1 ZINC001077805608 781727673 /nfs/dbraw/zinc/72/76/73/781727673.db2.gz JBRMCSRDIUSYED-HUUCEWRRSA-N 1 1 331.416 0.402 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001041544328 781740901 /nfs/dbraw/zinc/74/09/01/781740901.db2.gz NAAPCAPRVOIAFE-LJQANCHMSA-N 1 1 349.475 0.982 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2noc3ccc(F)cc23)C1 ZINC001077823156 781761392 /nfs/dbraw/zinc/76/13/92/781761392.db2.gz YTIJMISUBQZQID-HUUCEWRRSA-N 1 1 331.347 0.694 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2noc3ccc(F)cc23)C1 ZINC001077823156 781761398 /nfs/dbraw/zinc/76/13/98/781761398.db2.gz YTIJMISUBQZQID-HUUCEWRRSA-N 1 1 331.347 0.694 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001077835497 781795737 /nfs/dbraw/zinc/79/57/37/781795737.db2.gz RVIGLOZKEYGHHA-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001077835497 781795748 /nfs/dbraw/zinc/79/57/48/781795748.db2.gz RVIGLOZKEYGHHA-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001077847747 781810717 /nfs/dbraw/zinc/81/07/17/781810717.db2.gz UQYRAUILUAKVCM-GDBMZVCRSA-N 1 1 330.388 0.694 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C2)C1 ZINC001041603913 781834664 /nfs/dbraw/zinc/83/46/64/781834664.db2.gz ZCOFPNVMJQYFMD-QGZVFWFLSA-N 1 1 325.372 0.835 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCCO1 ZINC001039907868 783256979 /nfs/dbraw/zinc/25/69/79/783256979.db2.gz KYVCAGILQVJVNG-LSDHHAIUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(c3nccnc3C#N)CCCO2)C1 ZINC001039914991 783273616 /nfs/dbraw/zinc/27/36/16/783273616.db2.gz GXDVLLFNMRPDQX-ZIAGYGMSSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(c3cnc(C#N)cn3)CCCO2)C1 ZINC001039915789 783277267 /nfs/dbraw/zinc/27/72/67/783277267.db2.gz VKZCZAQGSFOWQE-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(c3ccc(C#N)nc3)CCCO2)C1 ZINC001039915865 783277697 /nfs/dbraw/zinc/27/76/97/783277697.db2.gz WEZVVDVFMROIGM-YOEHRIQHSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001040059972 783463827 /nfs/dbraw/zinc/46/38/27/783463827.db2.gz NMBYGTBEOGQNNQ-HNAYVOBHSA-N 1 1 347.459 0.211 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(N(C)c2nccnc2C#N)CC1 ZINC001068707674 790945628 /nfs/dbraw/zinc/94/56/28/790945628.db2.gz ZWZWTWCLZDZHRN-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001040095774 783531707 /nfs/dbraw/zinc/53/17/07/783531707.db2.gz KLIGXQTVXZEBRH-APWZRJJASA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001040098633 783537009 /nfs/dbraw/zinc/53/70/09/783537009.db2.gz CJQALYBVLRSIRN-GOSISDBHSA-N 1 1 337.464 0.600 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001070161029 783566594 /nfs/dbraw/zinc/56/65/94/783566594.db2.gz QSXGSAJDYDBKQD-UHTWSYAYSA-N 1 1 331.405 0.436 20 30 ECEDMO Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 ZINC001070192536 783626389 /nfs/dbraw/zinc/62/63/89/783626389.db2.gz BLHJXQJWPYATIB-CABCVRRESA-N 1 1 340.387 0.530 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 ZINC001070232653 783708117 /nfs/dbraw/zinc/70/81/17/783708117.db2.gz OCRCYZKQEMUVCZ-GFCCVEGCSA-N 1 1 333.392 0.133 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070250818 783740739 /nfs/dbraw/zinc/74/07/39/783740739.db2.gz VCQGRLAHDQJNRK-CABCVRRESA-N 1 1 327.392 0.242 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H]2CCc3ncnn32)c1 ZINC001038147276 783917582 /nfs/dbraw/zinc/91/75/82/783917582.db2.gz VRHFROBUFKIZSY-STQMWFEESA-N 1 1 325.376 0.469 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001070387556 783935229 /nfs/dbraw/zinc/93/52/29/783935229.db2.gz WVSZLXNCNLUUMV-ZNMIVQPWSA-N 1 1 344.415 0.458 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccnc3ccnn32)C1 ZINC001070411221 784000022 /nfs/dbraw/zinc/00/00/22/784000022.db2.gz HKNTWNJBAGCZGQ-CYBMUJFWSA-N 1 1 349.398 0.805 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001070411312 784000276 /nfs/dbraw/zinc/00/02/76/784000276.db2.gz KMPAOXXXBBVKQI-ZIAGYGMSSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c(C)nnn2CC)C1 ZINC001070411315 784000724 /nfs/dbraw/zinc/00/07/24/784000724.db2.gz KPLPLEWRKAZARU-CYBMUJFWSA-N 1 1 341.419 0.682 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001070414457 784013829 /nfs/dbraw/zinc/01/38/29/784013829.db2.gz NLNZZHMSBGCTBR-KGLIPLIRSA-N 1 1 343.431 0.317 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nnn(C)n2)C1 ZINC001070421210 784030454 /nfs/dbraw/zinc/03/04/54/784030454.db2.gz DSSLJWNYJKAVHE-NSHDSACASA-N 1 1 330.396 0.229 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001070421509 784032225 /nfs/dbraw/zinc/03/22/25/784032225.db2.gz NRORLCVAQWDYDT-GXTWGEPZSA-N 1 1 331.420 0.480 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001070422649 784034077 /nfs/dbraw/zinc/03/40/77/784034077.db2.gz FISFGEHTUYWECI-LBPRGKRZSA-N 1 1 340.387 0.236 20 30 ECEDMO C#Cc1cncc(C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCO)C2)c1 ZINC001070422666 784034316 /nfs/dbraw/zinc/03/43/16/784034316.db2.gz FSDASHRNKQYQTB-AWEZNQCLSA-N 1 1 339.399 0.498 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001070423400 784036552 /nfs/dbraw/zinc/03/65/52/784036552.db2.gz YPUBHJAAECKTJY-GFCCVEGCSA-N 1 1 342.403 0.788 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001070423254 784036677 /nfs/dbraw/zinc/03/66/77/784036677.db2.gz UORSKSVWBKNJFC-OCCSQVGLSA-N 1 1 346.435 0.463 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001070423302 784037256 /nfs/dbraw/zinc/03/72/56/784037256.db2.gz VVOSNENWLYLMCT-LLVKDONJSA-N 1 1 328.376 0.398 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2conc2COC)C1 ZINC001070432285 784055644 /nfs/dbraw/zinc/05/56/44/784055644.db2.gz AQLPQVGRGSWALU-LBPRGKRZSA-N 1 1 343.387 0.897 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001070903986 784083922 /nfs/dbraw/zinc/08/39/22/784083922.db2.gz SZQOXSJKEZOODC-BMFZPTHFSA-N 1 1 342.399 0.758 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001070903986 784083925 /nfs/dbraw/zinc/08/39/25/784083925.db2.gz SZQOXSJKEZOODC-BMFZPTHFSA-N 1 1 342.399 0.758 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1ncc[nH]1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070443115 784088960 /nfs/dbraw/zinc/08/89/60/784088960.db2.gz XSCFXPDBMMWICP-CYBMUJFWSA-N 1 1 341.419 0.954 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001070916833 784110177 /nfs/dbraw/zinc/11/01/77/784110177.db2.gz YSOJQQFLRQKFHR-MCIONIFRSA-N 1 1 337.420 0.297 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001070916833 784110181 /nfs/dbraw/zinc/11/01/81/784110181.db2.gz YSOJQQFLRQKFHR-MCIONIFRSA-N 1 1 337.420 0.297 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cccs2)CC1 ZINC001070932454 784147073 /nfs/dbraw/zinc/14/70/73/784147073.db2.gz PLJMJFNTVHPWKG-UHFFFAOYSA-N 1 1 333.457 0.964 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cccs2)CC1 ZINC001070932454 784147076 /nfs/dbraw/zinc/14/70/76/784147076.db2.gz PLJMJFNTVHPWKG-UHFFFAOYSA-N 1 1 333.457 0.964 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)n(C)n2)CC1 ZINC001070944624 784184663 /nfs/dbraw/zinc/18/46/63/784184663.db2.gz GLBQQDFOQQUMCF-UHFFFAOYSA-N 1 1 347.463 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001070950179 784203279 /nfs/dbraw/zinc/20/32/79/784203279.db2.gz NTMPRCOFZIBCIM-UHFFFAOYSA-N 1 1 330.388 0.075 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001070950179 784203282 /nfs/dbraw/zinc/20/32/82/784203282.db2.gz NTMPRCOFZIBCIM-UHFFFAOYSA-N 1 1 330.388 0.075 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001070954225 784213099 /nfs/dbraw/zinc/21/30/99/784213099.db2.gz SUAAZOUTGTZRLX-UHFFFAOYSA-N 1 1 332.404 0.627 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC(=O)NCC[N@@H+](CCCF)CC2)c[nH]1 ZINC001070955076 784215398 /nfs/dbraw/zinc/21/53/98/784215398.db2.gz JLYWDOWJKJITHT-UHFFFAOYSA-N 1 1 335.383 0.510 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC(=O)NCC[N@H+](CCCF)CC2)c[nH]1 ZINC001070955076 784215404 /nfs/dbraw/zinc/21/54/04/784215404.db2.gz JLYWDOWJKJITHT-UHFFFAOYSA-N 1 1 335.383 0.510 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC(=O)NCC[N@H+](CC3CC3)CC2)c[nH]1 ZINC001070955286 784216582 /nfs/dbraw/zinc/21/65/82/784216582.db2.gz PCCDCCORIVDJSO-UHFFFAOYSA-N 1 1 329.404 0.560 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)n2cncn2)CC1 ZINC001070957571 784226340 /nfs/dbraw/zinc/22/63/40/784226340.db2.gz LOOLIFJCFQOIAI-CQSZACIVSA-N 1 1 334.424 0.066 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)n2cncn2)CC1 ZINC001070957571 784226349 /nfs/dbraw/zinc/22/63/49/784226349.db2.gz LOOLIFJCFQOIAI-CQSZACIVSA-N 1 1 334.424 0.066 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnnn2CC)CC1 ZINC001070961257 784236645 /nfs/dbraw/zinc/23/66/45/784236645.db2.gz PISDIYXFRBGAIA-UHFFFAOYSA-N 1 1 348.451 0.528 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnnn2CC)CC1 ZINC001070961257 784236652 /nfs/dbraw/zinc/23/66/52/784236652.db2.gz PISDIYXFRBGAIA-UHFFFAOYSA-N 1 1 348.451 0.528 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1 ZINC001070533763 784238190 /nfs/dbraw/zinc/23/81/90/784238190.db2.gz PDUWMMDUWYPUED-IJEWVQPXSA-N 1 1 330.436 0.312 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001070962309 784239851 /nfs/dbraw/zinc/23/98/51/784239851.db2.gz NSEGVSNEUXPZDR-OAHLLOKOSA-N 1 1 339.436 0.019 20 30 ECEDMO C[C@@H]1CC[C@@H](C[N@@H+]2CCNC(=O)CCN(C(=O)C#CC3CC3)CC2)O1 ZINC001070962658 784241295 /nfs/dbraw/zinc/24/12/95/784241295.db2.gz YTZXCZLMCSCRBS-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H]1CC[C@@H](C[N@H+]2CCNC(=O)CCN(C(=O)C#CC3CC3)CC2)O1 ZINC001070962658 784241302 /nfs/dbraw/zinc/24/13/02/784241302.db2.gz YTZXCZLMCSCRBS-WBVHZDCISA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccncn2)CC1 ZINC001070968093 784260254 /nfs/dbraw/zinc/26/02/54/784260254.db2.gz NNUNPLDYJTUBCR-UHFFFAOYSA-N 1 1 345.447 0.636 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccncn2)CC1 ZINC001070968093 784260263 /nfs/dbraw/zinc/26/02/63/784260263.db2.gz NNUNPLDYJTUBCR-UHFFFAOYSA-N 1 1 345.447 0.636 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cn(C)cn1 ZINC001070560334 784276764 /nfs/dbraw/zinc/27/67/64/784276764.db2.gz FQGLCDJDFKYECQ-GXTWGEPZSA-N 1 1 349.826 0.348 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@@H](OC)C2)CC1 ZINC001070975358 784288540 /nfs/dbraw/zinc/28/85/40/784288540.db2.gz LXUJARDMFWRSRK-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@@H](OC)C2)CC1 ZINC001070975358 784288547 /nfs/dbraw/zinc/28/85/47/784288547.db2.gz LXUJARDMFWRSRK-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnc(OC)c2)CC1 ZINC001070976752 784293136 /nfs/dbraw/zinc/29/31/36/784293136.db2.gz OQZDDXBEAZDCFV-UHFFFAOYSA-N 1 1 346.431 0.930 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnc(OC)c2)CC1 ZINC001070976752 784293144 /nfs/dbraw/zinc/29/31/44/784293144.db2.gz OQZDDXBEAZDCFV-UHFFFAOYSA-N 1 1 346.431 0.930 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2nc(C)no2)CC1 ZINC001070982668 784315716 /nfs/dbraw/zinc/31/57/16/784315716.db2.gz FVTBYTDLVVQBKA-UHFFFAOYSA-N 1 1 349.435 0.537 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(=O)NCC[N@H+](C[C@H]2CCOC2)CC1 ZINC001070985754 784326152 /nfs/dbraw/zinc/32/61/52/784326152.db2.gz VGIRLBRVYWZREF-OAHLLOKOSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)n2ccnc2)CC1 ZINC001071004445 784381640 /nfs/dbraw/zinc/38/16/40/784381640.db2.gz FTXMVXRMOYSKCO-INIZCTEOSA-N 1 1 345.447 0.508 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)n2ccnc2)CC1 ZINC001071004445 784381648 /nfs/dbraw/zinc/38/16/48/784381648.db2.gz FTXMVXRMOYSKCO-INIZCTEOSA-N 1 1 345.447 0.508 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H](C)C2)CC1 ZINC001071009357 784398744 /nfs/dbraw/zinc/39/87/44/784398744.db2.gz MOERHBFSBSZTES-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H](C)C2)CC1 ZINC001071009357 784398753 /nfs/dbraw/zinc/39/87/53/784398753.db2.gz MOERHBFSBSZTES-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cccn2)n1 ZINC001070595792 784405165 /nfs/dbraw/zinc/40/51/65/784405165.db2.gz NTHRWKNJYBWXNW-GJZGRUSLSA-N 1 1 342.403 0.441 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)nn2C)CC1 ZINC001071011372 784406344 /nfs/dbraw/zinc/40/63/44/784406344.db2.gz CCCMKIKAQSYVAD-UHFFFAOYSA-N 1 1 347.463 0.823 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)nn2C)CC1 ZINC001071011372 784406349 /nfs/dbraw/zinc/40/63/49/784406349.db2.gz CCCMKIKAQSYVAD-UHFFFAOYSA-N 1 1 347.463 0.823 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn(C)cn2)n1 ZINC001070596633 784407771 /nfs/dbraw/zinc/40/77/71/784407771.db2.gz RJAMKZQPCHHALA-KBPBESRZSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cc(C)[nH]n2)n1 ZINC001070601885 784419477 /nfs/dbraw/zinc/41/94/77/784419477.db2.gz BXDADWGBNNYCNL-UONOGXRCSA-N 1 1 342.403 0.889 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cncn2C)CC1 ZINC001071015839 784423959 /nfs/dbraw/zinc/42/39/59/784423959.db2.gz WOLZTJRVKLMBDE-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnn(C)n2)n1 ZINC001070605354 784425787 /nfs/dbraw/zinc/42/57/87/784425787.db2.gz JTZOHFXIQRUGPV-QWHCGFSZSA-N 1 1 345.407 0.539 20 30 ECEDMO C#CCC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc[nH]n2)n1 ZINC001070605596 784426434 /nfs/dbraw/zinc/42/64/34/784426434.db2.gz QWMRPWAFHSKVTF-QWHCGFSZSA-N 1 1 343.391 0.366 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)COc2ccccc2)CC1 ZINC001071017465 784430728 /nfs/dbraw/zinc/43/07/28/784430728.db2.gz ZIDRFXGEVMTGRM-UHFFFAOYSA-N 1 1 343.427 0.739 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)COc2ccccc2)CC1 ZINC001071017465 784430732 /nfs/dbraw/zinc/43/07/32/784430732.db2.gz ZIDRFXGEVMTGRM-UHFFFAOYSA-N 1 1 343.427 0.739 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001071023025 784448408 /nfs/dbraw/zinc/44/84/08/784448408.db2.gz MDCLMOGVEZBLQD-KRWDZBQOSA-N 1 1 348.491 0.535 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC001071025715 784455008 /nfs/dbraw/zinc/45/50/08/784455008.db2.gz SVFFFZKVKRPNNX-OAHLLOKOSA-N 1 1 347.463 0.750 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC001071048055 784479831 /nfs/dbraw/zinc/47/98/31/784479831.db2.gz QHRGKVLKQHVHMK-PBHICJAKSA-N 1 1 331.420 0.356 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001070663640 784520949 /nfs/dbraw/zinc/52/09/49/784520949.db2.gz KCNULPVSZPFDGV-RVKKMQEKSA-N 1 1 337.464 0.905 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001070673094 784530536 /nfs/dbraw/zinc/53/05/36/784530536.db2.gz XJWPJUUBXKNMGE-PBHICJAKSA-N 1 1 325.453 0.761 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001070673047 784530833 /nfs/dbraw/zinc/53/08/33/784530833.db2.gz WEJVKSJUXLLJTM-PBHICJAKSA-N 1 1 325.453 0.763 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001071117057 784555150 /nfs/dbraw/zinc/55/51/50/784555150.db2.gz QEZAWNVXKVTVCT-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001071117057 784555153 /nfs/dbraw/zinc/55/51/53/784555153.db2.gz QEZAWNVXKVTVCT-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)[nH]n1)C[C@H](C)O2 ZINC001071129822 784571841 /nfs/dbraw/zinc/57/18/41/784571841.db2.gz RMLQSGRJDPGBSD-SUMWQHHRSA-N 1 1 330.388 0.511 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc(C)cn1)C[C@@H](C)O2 ZINC001071138574 784584608 /nfs/dbraw/zinc/58/46/08/784584608.db2.gz HDGBGZRBFDRJQA-SJLPKXTDSA-N 1 1 330.432 0.907 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nccnc1N)C[C@@H](C)O2 ZINC001071146301 784599894 /nfs/dbraw/zinc/59/98/94/784599894.db2.gz JNLAVUJAUYPHOT-CXAGYDPISA-N 1 1 329.404 0.388 20 30 ECEDMO COCC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C#N)c1)C[C@H](C)O2 ZINC001071149436 784606398 /nfs/dbraw/zinc/60/63/98/784606398.db2.gz MEWSYDOLPVRXIX-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@H](C)O2 ZINC001071159883 784627673 /nfs/dbraw/zinc/62/76/73/784627673.db2.gz SSRXWAFNUKZMCU-KSSFIOAISA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC1OCCCO1)C[C@@H](C)O2 ZINC001071162858 784633993 /nfs/dbraw/zinc/63/39/93/784633993.db2.gz YNMSNRHZSGEUSR-CRAIPNDOSA-N 1 1 336.432 0.855 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(CC)n1)C[C@@H](C)O2 ZINC001071165217 784639343 /nfs/dbraw/zinc/63/93/43/784639343.db2.gz ZJPUAROGJZXSNP-PBHICJAKSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cccc(C)c1=O)C[C@@H](C)O2 ZINC001071169386 784648252 /nfs/dbraw/zinc/64/82/52/784648252.db2.gz QKDZCZFTEBAORI-APWZRJJASA-N 1 1 343.427 0.482 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 ZINC001071169739 784649586 /nfs/dbraw/zinc/64/95/86/784649586.db2.gz WGTIPDVGSLZJRF-GOEBONIOSA-N 1 1 334.424 0.331 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)C[C@@H](C)O2 ZINC001071171284 784653213 /nfs/dbraw/zinc/65/32/13/784653213.db2.gz KRRCWSMTZIZTAN-CXAGYDPISA-N 1 1 348.451 0.920 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)C[C@@H](C)O2 ZINC001071173465 784658958 /nfs/dbraw/zinc/65/89/58/784658958.db2.gz IZFXPQPXBKVOSX-SJKOYZFVSA-N 1 1 340.387 0.292 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)C[C@@H](C)O2 ZINC001071173465 784658965 /nfs/dbraw/zinc/65/89/65/784658965.db2.gz IZFXPQPXBKVOSX-SJKOYZFVSA-N 1 1 340.387 0.292 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3n1CCOC3)C[C@H](C)O2 ZINC001071175962 784665533 /nfs/dbraw/zinc/66/55/33/784665533.db2.gz OFKYWEUUDPVFGF-KBXCAEBGSA-N 1 1 344.415 0.352 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc[nH]c1=O)C[C@@H](C)O2 ZINC001071180140 784678059 /nfs/dbraw/zinc/67/80/59/784678059.db2.gz HFKUHCNKALCOOL-CXAGYDPISA-N 1 1 330.388 0.511 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn3c(n1)COCC3)C[C@H](C)O2 ZINC001071181438 784680013 /nfs/dbraw/zinc/68/00/13/784680013.db2.gz XQMGLAPOGZPVDQ-KSSFIOAISA-N 1 1 344.415 0.352 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn3c(n1)COCC3)C[C@H](C)O2 ZINC001071181438 784680017 /nfs/dbraw/zinc/68/00/17/784680017.db2.gz XQMGLAPOGZPVDQ-KSSFIOAISA-N 1 1 344.415 0.352 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(CCF)c1)C[C@@H](C)O2 ZINC001071183912 784685503 /nfs/dbraw/zinc/68/55/03/784685503.db2.gz VIUYUMXUIADALD-PBHICJAKSA-N 1 1 334.395 0.791 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(CCF)c1)C[C@@H](C)O2 ZINC001071183912 784685507 /nfs/dbraw/zinc/68/55/07/784685507.db2.gz VIUYUMXUIADALD-PBHICJAKSA-N 1 1 334.395 0.791 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@@H](C)O2 ZINC001071185461 784688170 /nfs/dbraw/zinc/68/81/70/784688170.db2.gz HDHAOHHJBGKADO-QAPCUYQASA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)cn1C)C[C@H](C)O2 ZINC001071186396 784692117 /nfs/dbraw/zinc/69/21/17/784692117.db2.gz VCMRAEZCZUQCEM-UGSOOPFHSA-N 1 1 344.415 0.063 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cc(C)nn1C)C[C@H](C)O2 ZINC001071189985 784697088 /nfs/dbraw/zinc/69/70/88/784697088.db2.gz RXXGEQUEOSFLIT-QFBILLFUSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@@H](C)O2 ZINC001071190247 784697244 /nfs/dbraw/zinc/69/72/44/784697244.db2.gz WIFDUJYKGLXQOK-CXAGYDPISA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@@H](C)O2 ZINC001071190247 784697246 /nfs/dbraw/zinc/69/72/46/784697246.db2.gz WIFDUJYKGLXQOK-CXAGYDPISA-N 1 1 330.388 0.424 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc3n[nH]nc31)C[C@H](C)O2 ZINC001071190210 784697379 /nfs/dbraw/zinc/69/73/79/784697379.db2.gz VPYMGROBTFOLMV-YVEFUNNKSA-N 1 1 342.403 0.844 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071191227 784701919 /nfs/dbraw/zinc/70/19/19/784701919.db2.gz CNBKHVWDQREVDI-SJKOYZFVSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071191227 784701924 /nfs/dbraw/zinc/70/19/24/784701924.db2.gz CNBKHVWDQREVDI-SJKOYZFVSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3nnnn3c1)C[C@H](C)O2 ZINC001071193200 784705631 /nfs/dbraw/zinc/70/56/31/784705631.db2.gz XZWTUBUOHCSZKJ-GUYCJALGSA-N 1 1 340.387 0.063 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cncc1C)C[C@@H](C)O2 ZINC001071192770 784705781 /nfs/dbraw/zinc/70/57/81/784705781.db2.gz RKPMAHQESUYAQO-AEFFLSMTSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nn(C)c1C)C[C@@H](C)O2 ZINC001071194010 784709032 /nfs/dbraw/zinc/70/90/32/784709032.db2.gz APXRKHJLRKHGDH-FZKQIMNGSA-N 1 1 330.432 0.976 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@H](C)O2 ZINC001071194464 784711187 /nfs/dbraw/zinc/71/11/87/784711187.db2.gz JNPYVQZSLHEIGH-YJBOKZPZSA-N 1 1 345.447 0.556 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c(C)nn(C)c1C)C[C@H](C)O2 ZINC001071195546 784713665 /nfs/dbraw/zinc/71/36/65/784713665.db2.gz ZGUJQRIEEHJNPC-IFXJQAMLSA-N 1 1 344.459 0.904 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@@H](C)O2 ZINC001071199370 784719693 /nfs/dbraw/zinc/71/96/93/784719693.db2.gz LCOIJOQMZMLRCM-KDOFPFPSSA-N 1 1 346.431 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@H](C)O2 ZINC001071201417 784723915 /nfs/dbraw/zinc/72/39/15/784723915.db2.gz DSJPGOLIGWYCLB-GUYCJALGSA-N 1 1 330.388 0.099 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@H](C)O2 ZINC001071202409 784725380 /nfs/dbraw/zinc/72/53/80/784725380.db2.gz UWKRAVGQLUKSKM-SCLBCKFNSA-N 1 1 344.415 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@@H](C)O2 ZINC001071208954 784739123 /nfs/dbraw/zinc/73/91/23/784739123.db2.gz BWBDCCNLXHTGSX-SJKOYZFVSA-N 1 1 330.388 0.052 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@H+](CCOC)C3)C2)nn1 ZINC001071215494 784754097 /nfs/dbraw/zinc/75/40/97/784754097.db2.gz CKRDTDYEQMUNBS-PBHICJAKSA-N 1 1 349.435 0.416 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)N1CCOCC1)C[C@@H](C)O2 ZINC001071218381 784761756 /nfs/dbraw/zinc/76/17/56/784761756.db2.gz MZOLFVKKIIOGIP-APWZRJJASA-N 1 1 349.475 0.422 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@@H](C)O2 ZINC001071225304 784781352 /nfs/dbraw/zinc/78/13/52/784781352.db2.gz IUQPMPAPNDQKLG-FZKQIMNGSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@@H](C)O2 ZINC001071233469 784798147 /nfs/dbraw/zinc/79/81/47/784798147.db2.gz JNGCGSFSNBZJQT-KDOFPFPSSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@@H](C)O2 ZINC001071236070 784803932 /nfs/dbraw/zinc/80/39/32/784803932.db2.gz ONOCGDHUZXTKFW-KDOFPFPSSA-N 1 1 341.415 0.991 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@@H](C)O2 ZINC001071240173 784812795 /nfs/dbraw/zinc/81/27/95/784812795.db2.gz AYIIQILRJSLIMX-APWZRJJASA-N 1 1 343.427 0.563 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)C[C@@H](C)O2 ZINC001071240699 784813938 /nfs/dbraw/zinc/81/39/38/784813938.db2.gz JSLMYBVHOFXBRY-KUHUBIRLSA-N 1 1 341.411 0.724 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3n[nH]nc3c1)C[C@H](C)O2 ZINC001071240759 784814005 /nfs/dbraw/zinc/81/40/05/784814005.db2.gz KLXBRYCEONMGFQ-SCLBCKFNSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1noc3c1COCC3)C[C@H](C)O2 ZINC001071244021 784821539 /nfs/dbraw/zinc/82/15/39/784821539.db2.gz OMENDRBIBSINEG-UGSOOPFHSA-N 1 1 345.399 0.686 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1noc3c1COCC3)C[C@H](C)O2 ZINC001071244021 784821548 /nfs/dbraw/zinc/82/15/48/784821548.db2.gz OMENDRBIBSINEG-UGSOOPFHSA-N 1 1 345.399 0.686 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1noc3c1COCC3)C[C@H](C)O2 ZINC001071244020 784822681 /nfs/dbraw/zinc/82/26/81/784822681.db2.gz OMENDRBIBSINEG-SCLBCKFNSA-N 1 1 345.399 0.686 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1noc3c1COCC3)C[C@H](C)O2 ZINC001071244020 784822690 /nfs/dbraw/zinc/82/26/90/784822690.db2.gz OMENDRBIBSINEG-SCLBCKFNSA-N 1 1 345.399 0.686 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OCC)cn1)C[C@H](C)O2 ZINC001071246480 784828406 /nfs/dbraw/zinc/82/84/06/784828406.db2.gz VPBOJTOFSYQTCT-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OCC)cn1)C[C@H](C)O2 ZINC001071246480 784828413 /nfs/dbraw/zinc/82/84/13/784828413.db2.gz VPBOJTOFSYQTCT-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccon3)C2)C(=O)C1 ZINC001071255677 784852327 /nfs/dbraw/zinc/85/23/27/784852327.db2.gz TZVQJQWWFHHTNA-AWEZNQCLSA-N 1 1 332.404 1.000 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccon3)C2)C(=O)C1 ZINC001071255677 784852338 /nfs/dbraw/zinc/85/23/38/784852338.db2.gz TZVQJQWWFHHTNA-AWEZNQCLSA-N 1 1 332.404 1.000 20 30 ECEDMO C=CCCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258267 784861769 /nfs/dbraw/zinc/86/17/69/784861769.db2.gz BTBGVWOFDFIGJB-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001071348641 784989844 /nfs/dbraw/zinc/98/98/44/784989844.db2.gz MGWHMKAJFWLORM-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001071803558 785127316 /nfs/dbraw/zinc/12/73/16/785127316.db2.gz OEXJCMQHRCODDS-ZIAGYGMSSA-N 1 1 348.447 0.864 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)N(C)C)C2)c1 ZINC001071813718 785145139 /nfs/dbraw/zinc/14/51/39/785145139.db2.gz DQTQVGKQAOGIGY-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)N(C)C)C2)c1 ZINC001071813718 785145145 /nfs/dbraw/zinc/14/51/45/785145145.db2.gz DQTQVGKQAOGIGY-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001071508611 785215436 /nfs/dbraw/zinc/21/54/36/785215436.db2.gz QUDFCCXQVBITLW-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1Cc1ccccc1C#N ZINC001071513611 785229447 /nfs/dbraw/zinc/22/94/47/785229447.db2.gz GMWSBDLVLJTDFZ-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1ccccc1C#N ZINC001071513611 785229453 /nfs/dbraw/zinc/22/94/53/785229453.db2.gz GMWSBDLVLJTDFZ-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001071874533 785253005 /nfs/dbraw/zinc/25/30/05/785253005.db2.gz KZHQDOWRPACPSO-SWLSCSKDSA-N 1 1 331.420 0.805 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071550079 785287431 /nfs/dbraw/zinc/28/74/31/785287431.db2.gz XPMYZWLHTCWKDI-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071660917 785470240 /nfs/dbraw/zinc/47/02/40/785470240.db2.gz CTYDCQHOTOTMAF-UONOGXRCSA-N 1 1 340.493 0.938 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1C ZINC001071990135 785487619 /nfs/dbraw/zinc/48/76/19/785487619.db2.gz VDFNHIPFYTULEL-NEPJUHHUSA-N 1 1 328.376 0.024 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@H]1C ZINC001071685585 785520158 /nfs/dbraw/zinc/52/01/58/785520158.db2.gz DSAKMUBPIACWTE-HUUCEWRRSA-N 1 1 341.477 0.404 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001072035155 785557690 /nfs/dbraw/zinc/55/76/90/785557690.db2.gz IFAZHLDTZQKKKO-CVEARBPZSA-N 1 1 335.448 0.331 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001072053381 785582062 /nfs/dbraw/zinc/58/20/62/785582062.db2.gz WGJQHHPYWYAHKR-XJKSGUPXSA-N 1 1 346.431 0.972 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@@H]1C ZINC001071724733 785593405 /nfs/dbraw/zinc/59/34/05/785593405.db2.gz LJHHVUJCACUASP-WCQYABFASA-N 1 1 342.407 0.300 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001072097129 785663434 /nfs/dbraw/zinc/66/34/34/785663434.db2.gz IVUFMFYPNXSJED-UKRRQHHQSA-N 1 1 332.404 0.195 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001072097602 785664085 /nfs/dbraw/zinc/66/40/85/785664085.db2.gz OSHADNBIXBVZGL-LSDHHAIUSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N(Cc2cn(C)c(=O)n(C)c2=O)C(=O)C2CC2)C1 ZINC001072134708 785723403 /nfs/dbraw/zinc/72/34/03/785723403.db2.gz YACBDZHBCOLYJD-OAHLLOKOSA-N 1 1 346.431 0.083 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001072135492 785726229 /nfs/dbraw/zinc/72/62/29/785726229.db2.gz JYHOXNDGWKHPLO-HIFRSBDPSA-N 1 1 332.404 0.195 20 30 ECEDMO C=CCCOCC(=O)N[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001072287110 785981882 /nfs/dbraw/zinc/98/18/82/785981882.db2.gz RXDLVSVXVGLZIV-GJZGRUSLSA-N 1 1 325.453 0.882 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001072390806 786123570 /nfs/dbraw/zinc/12/35/70/786123570.db2.gz UQUHNIFTPXDGAA-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CCCO4)C3)C2)C1=O ZINC001072445696 786196236 /nfs/dbraw/zinc/19/62/36/786196236.db2.gz PIAZZOGDAOYQLK-LSDHHAIUSA-N 1 1 333.432 0.487 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](C)C2)cn1 ZINC001072467231 786225090 /nfs/dbraw/zinc/22/50/90/786225090.db2.gz FGASEEYQXMIDFL-YOEHRIQHSA-N 1 1 342.443 0.980 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4ccon4)C3)C2)C1=O ZINC001072512867 786307802 /nfs/dbraw/zinc/30/78/02/786307802.db2.gz LTRJWPJBMBZMQY-AWEZNQCLSA-N 1 1 330.388 0.609 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001073543532 786530602 /nfs/dbraw/zinc/53/06/02/786530602.db2.gz IIUXAVNCPBCWRR-DZGCQCFKSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001073543532 786530605 /nfs/dbraw/zinc/53/06/05/786530605.db2.gz IIUXAVNCPBCWRR-DZGCQCFKSA-N 1 1 347.419 0.017 20 30 ECEDMO C#CCCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001073553803 786573317 /nfs/dbraw/zinc/57/33/17/786573317.db2.gz KMULCBTVJYIUPW-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@@H]21 ZINC001074279626 786576310 /nfs/dbraw/zinc/57/63/10/786576310.db2.gz OPCNPAQQUSNWSK-HOTGVXAUSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@@H]21 ZINC001074279626 786576314 /nfs/dbraw/zinc/57/63/14/786576314.db2.gz OPCNPAQQUSNWSK-HOTGVXAUSA-N 1 1 346.431 0.905 20 30 ECEDMO C=C(Cl)CN1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073562471 786611079 /nfs/dbraw/zinc/61/10/79/786611079.db2.gz VTLLTJJRIPQERA-UONOGXRCSA-N 1 1 331.844 0.277 20 30 ECEDMO C=C(Cl)CN1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073562471 786611085 /nfs/dbraw/zinc/61/10/85/786611085.db2.gz VTLLTJJRIPQERA-UONOGXRCSA-N 1 1 331.844 0.277 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC(N2CCN(C(=O)C#CC(C)C)CC2)C1 ZINC001073571322 786643606 /nfs/dbraw/zinc/64/36/06/786643606.db2.gz XMFCHDIIKJIWDD-UHFFFAOYSA-N 1 1 348.491 0.343 20 30 ECEDMO C=C(C)CCC(=O)N1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001073573475 786650806 /nfs/dbraw/zinc/65/08/06/786650806.db2.gz NEJHZIBHXUAMGF-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@H]21 ZINC001074315366 786658212 /nfs/dbraw/zinc/65/82/12/786658212.db2.gz UYVTUJULKODOSD-HUUCEWRRSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@H]21 ZINC001074315366 786658220 /nfs/dbraw/zinc/65/82/20/786658220.db2.gz UYVTUJULKODOSD-HUUCEWRRSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001074354563 786740991 /nfs/dbraw/zinc/74/09/91/786740991.db2.gz RZDSTVUWDSJJJJ-CABCVRRESA-N 1 1 348.451 0.674 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001074354563 786740996 /nfs/dbraw/zinc/74/09/96/786740996.db2.gz RZDSTVUWDSJJJJ-CABCVRRESA-N 1 1 348.451 0.674 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001073605435 786759987 /nfs/dbraw/zinc/75/99/87/786759987.db2.gz KPMQAJCNQZKTGX-PBHICJAKSA-N 1 1 345.447 0.630 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001073605435 786759993 /nfs/dbraw/zinc/75/99/93/786759993.db2.gz KPMQAJCNQZKTGX-PBHICJAKSA-N 1 1 345.447 0.630 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001073630875 786817705 /nfs/dbraw/zinc/81/77/05/786817705.db2.gz IKXVFYBJNKYBIK-AWEZNQCLSA-N 1 1 327.388 0.720 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001073630875 786817717 /nfs/dbraw/zinc/81/77/17/786817717.db2.gz IKXVFYBJNKYBIK-AWEZNQCLSA-N 1 1 327.388 0.720 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+]([C@@H](C)C(=O)NC)CCCO1 ZINC001073637300 786838386 /nfs/dbraw/zinc/83/83/86/786838386.db2.gz VPOBPWHZVYHSRD-GJZGRUSLSA-N 1 1 348.447 0.629 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC)CCCO1 ZINC001073637300 786838396 /nfs/dbraw/zinc/83/83/96/786838396.db2.gz VPOBPWHZVYHSRD-GJZGRUSLSA-N 1 1 348.447 0.629 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3nccnc3c2)C1 ZINC001073637468 786839584 /nfs/dbraw/zinc/83/95/84/786839584.db2.gz ZUMCZXYRJBWOJC-OAHLLOKOSA-N 1 1 339.399 0.869 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001073652017 786875467 /nfs/dbraw/zinc/87/54/67/786875467.db2.gz MSVPJBNJGAMXHR-AWEZNQCLSA-N 1 1 342.403 0.277 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccnn2CCOC)C1 ZINC001073651928 786876358 /nfs/dbraw/zinc/87/63/58/786876358.db2.gz KYDRETPWOILMSC-OAHLLOKOSA-N 1 1 336.436 0.926 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001073661229 786905675 /nfs/dbraw/zinc/90/56/75/786905675.db2.gz ZHMJGYNJTNXTNQ-LSDHHAIUSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001073661229 786905681 /nfs/dbraw/zinc/90/56/81/786905681.db2.gz ZHMJGYNJTNXTNQ-LSDHHAIUSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCn3nccc32)C1 ZINC001073667664 786919586 /nfs/dbraw/zinc/91/95/86/786919586.db2.gz LPPFKCDYPWKTFQ-HZPDHXFCSA-N 1 1 330.432 0.991 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001073668186 786920317 /nfs/dbraw/zinc/92/03/17/786920317.db2.gz YIUPRCPASSJGDV-HNNXBMFYSA-N 1 1 341.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001073668186 786920321 /nfs/dbraw/zinc/92/03/21/786920321.db2.gz YIUPRCPASSJGDV-HNNXBMFYSA-N 1 1 341.415 0.800 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001073681029 786956810 /nfs/dbraw/zinc/95/68/10/786956810.db2.gz BNYBJWSXMGAEIC-HNNXBMFYSA-N 1 1 348.447 0.911 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001073709741 787018718 /nfs/dbraw/zinc/01/87/18/787018718.db2.gz GIGMKZDYJFMJBJ-ARFHVFGLSA-N 1 1 330.432 0.754 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001073708945 787018958 /nfs/dbraw/zinc/01/89/58/787018958.db2.gz PPBUCOWRLDIHIT-OAHLLOKOSA-N 1 1 343.387 0.373 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001073708945 787018963 /nfs/dbraw/zinc/01/89/63/787018963.db2.gz PPBUCOWRLDIHIT-OAHLLOKOSA-N 1 1 343.387 0.373 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001073717086 787043279 /nfs/dbraw/zinc/04/32/79/787043279.db2.gz VTKNONRMXVCQKP-HOCLYGCPSA-N 1 1 341.411 0.953 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001073717086 787043292 /nfs/dbraw/zinc/04/32/92/787043292.db2.gz VTKNONRMXVCQKP-HOCLYGCPSA-N 1 1 341.411 0.953 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001073724679 787065081 /nfs/dbraw/zinc/06/50/81/787065081.db2.gz ZOWLQSKTOWELLD-MRXNPFEDSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001073724679 787065089 /nfs/dbraw/zinc/06/50/89/787065089.db2.gz ZOWLQSKTOWELLD-MRXNPFEDSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001073745867 787111626 /nfs/dbraw/zinc/11/16/26/787111626.db2.gz KAOHTTPJEGQWGA-GJZGRUSLSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001073745867 787111633 /nfs/dbraw/zinc/11/16/33/787111633.db2.gz KAOHTTPJEGQWGA-GJZGRUSLSA-N 1 1 343.418 0.804 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nnn(CC)c2CC)C1 ZINC001073762390 787150893 /nfs/dbraw/zinc/15/08/93/787150893.db2.gz AKNKNBRIXWWCOL-AWEZNQCLSA-N 1 1 333.436 0.704 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nnn(CC)c2CC)C1 ZINC001073762390 787150901 /nfs/dbraw/zinc/15/09/01/787150901.db2.gz AKNKNBRIXWWCOL-AWEZNQCLSA-N 1 1 333.436 0.704 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)COC)CCCO2)c1 ZINC001073762914 787152355 /nfs/dbraw/zinc/15/23/55/787152355.db2.gz PXBFGIYBPYIXNE-WMLDXEAASA-N 1 1 331.416 0.919 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)C2 ZINC001073764216 787156353 /nfs/dbraw/zinc/15/63/53/787156353.db2.gz DJAVJUYICOBVFR-HOCLYGCPSA-N 1 1 331.420 0.485 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001074519842 787159465 /nfs/dbraw/zinc/15/94/65/787159465.db2.gz MFIWQIJGZYZHSP-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001073769415 787167753 /nfs/dbraw/zinc/16/77/53/787167753.db2.gz GVCYSKSDAMSNFF-CQSZACIVSA-N 1 1 333.436 0.877 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073796099 787217920 /nfs/dbraw/zinc/21/79/20/787217920.db2.gz KCOHHKWNZAFFLE-CABCVRRESA-N 1 1 342.461 0.042 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073796099 787217922 /nfs/dbraw/zinc/21/79/22/787217922.db2.gz KCOHHKWNZAFFLE-CABCVRRESA-N 1 1 342.461 0.042 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCOC)CCCO1 ZINC001073810017 787240360 /nfs/dbraw/zinc/24/03/60/787240360.db2.gz FQJPXTKFJUQWOD-PMPSAXMXSA-N 1 1 326.437 0.821 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073810624 787241807 /nfs/dbraw/zinc/24/18/07/787241807.db2.gz YIUVBTVMYVCZMA-JYJNAYRXSA-N 1 1 326.437 0.557 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001073821237 787266840 /nfs/dbraw/zinc/26/68/40/787266840.db2.gz DDTQVWXQJMMIPY-HNNXBMFYSA-N 1 1 333.388 0.370 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001073821237 787266843 /nfs/dbraw/zinc/26/68/43/787266843.db2.gz DDTQVWXQJMMIPY-HNNXBMFYSA-N 1 1 333.388 0.370 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001073836523 787313494 /nfs/dbraw/zinc/31/34/94/787313494.db2.gz DJGZPXMOWHDFPP-HUUCEWRRSA-N 1 1 349.435 0.321 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001073853514 787365072 /nfs/dbraw/zinc/36/50/72/787365072.db2.gz HPKVXTKFSGLDNO-LSDHHAIUSA-N 1 1 338.452 0.703 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001073856773 787373683 /nfs/dbraw/zinc/37/36/83/787373683.db2.gz PFRXBZVBWZQEKH-ZDUSSCGKSA-N 1 1 330.392 0.439 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 ZINC001073861273 787385383 /nfs/dbraw/zinc/38/53/83/787385383.db2.gz AMAOHKOYNMMCPR-CQSZACIVSA-N 1 1 333.436 0.939 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c(C)nn3cccnc23)C1 ZINC001073889607 787445250 /nfs/dbraw/zinc/44/52/50/787445250.db2.gz VGQDPQFYTJRKHH-CQSZACIVSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)nn3cccnc23)C1 ZINC001073889607 787445256 /nfs/dbraw/zinc/44/52/56/787445256.db2.gz VGQDPQFYTJRKHH-CQSZACIVSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001074634696 787462876 /nfs/dbraw/zinc/46/28/76/787462876.db2.gz KFYDRGVUMKCNLA-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001073898976 787473132 /nfs/dbraw/zinc/47/31/32/787473132.db2.gz IBDBMBFWQMFVSZ-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001073898976 787473134 /nfs/dbraw/zinc/47/31/34/787473134.db2.gz IBDBMBFWQMFVSZ-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001073906466 787491995 /nfs/dbraw/zinc/49/19/95/787491995.db2.gz YSIIHHNJJDPWSD-CQSZACIVSA-N 1 1 332.404 0.577 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001073914750 787520106 /nfs/dbraw/zinc/52/01/06/787520106.db2.gz BQJCKKZRUBFROO-AWEZNQCLSA-N 1 1 330.388 0.025 20 30 ECEDMO C=CCCCC(=O)N1CCC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001074698318 787630407 /nfs/dbraw/zinc/63/04/07/787630407.db2.gz UHTIHHQYHLPIRC-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001074723981 787697441 /nfs/dbraw/zinc/69/74/41/787697441.db2.gz RAJSNKJXYNQXJU-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001074728640 787710264 /nfs/dbraw/zinc/71/02/64/787710264.db2.gz SBWQDCCUFMUPCV-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001074731427 787722204 /nfs/dbraw/zinc/72/22/04/787722204.db2.gz QXJSMSQZWXBJMJ-KBPBESRZSA-N 1 1 336.436 0.100 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCCCN2C(=O)c2nc[nH]n2)C1=O ZINC001074081412 787831749 /nfs/dbraw/zinc/83/17/49/787831749.db2.gz GCGIMAMFJXJPQB-ZIAGYGMSSA-N 1 1 346.435 0.518 20 30 ECEDMO C#CCC[N@@H+]1CCn2c(nnc2C2CCN(C(=O)COC)CC2)C1 ZINC001074105887 787885702 /nfs/dbraw/zinc/88/57/02/787885702.db2.gz MEVHUKZRYVMPGK-UHFFFAOYSA-N 1 1 331.420 0.469 20 30 ECEDMO C#CCC[N@H+]1CCn2c(nnc2C2CCN(C(=O)COC)CC2)C1 ZINC001074105887 787885717 /nfs/dbraw/zinc/88/57/17/787885717.db2.gz MEVHUKZRYVMPGK-UHFFFAOYSA-N 1 1 331.420 0.469 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 ZINC001074169634 787979743 /nfs/dbraw/zinc/97/97/43/787979743.db2.gz AMASCXJJKPPLGW-HOTGVXAUSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 ZINC001074169634 787979746 /nfs/dbraw/zinc/97/97/46/787979746.db2.gz AMASCXJJKPPLGW-HOTGVXAUSA-N 1 1 333.436 0.936 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1=O ZINC001072595517 788393479 /nfs/dbraw/zinc/39/34/79/788393479.db2.gz XUBFHCVDMULWMV-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)C1=O ZINC001072635799 788476710 /nfs/dbraw/zinc/47/67/10/788476710.db2.gz WXWDXYOHSSADIH-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H](OC)C4CC4)C3)C2)C1=O ZINC001072687477 788596569 /nfs/dbraw/zinc/59/65/69/788596569.db2.gz XHXXHSBVSMIHNJ-HZPDHXFCSA-N 1 1 347.459 0.733 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4n[nH]cc4C)C3)C2)C1=O ZINC001072714197 788639165 /nfs/dbraw/zinc/63/91/65/788639165.db2.gz ZCNXMNICPLTACY-CQSZACIVSA-N 1 1 343.431 0.653 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001072737371 788673796 /nfs/dbraw/zinc/67/37/96/788673796.db2.gz RWMUHDJXNPTTJG-IUODEOHRSA-N 1 1 331.420 0.805 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)CSCC#N)[C@H](C)C1 ZINC001074999178 788697047 /nfs/dbraw/zinc/69/70/47/788697047.db2.gz HMURIBPMEXAXQM-OCCSQVGLSA-N 1 1 349.460 0.944 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001072797347 788817956 /nfs/dbraw/zinc/81/79/56/788817956.db2.gz UWOAJZPCDYLZJV-HNNXBMFYSA-N 1 1 335.448 0.592 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001072917796 789109630 /nfs/dbraw/zinc/10/96/30/789109630.db2.gz BRBGXSUCVGSRHY-AWEZNQCLSA-N 1 1 327.432 0.478 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001073027025 789298154 /nfs/dbraw/zinc/29/81/54/789298154.db2.gz AVHVZQBIDWTCDU-UHFFFAOYSA-N 1 1 337.464 0.865 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001073050985 789348987 /nfs/dbraw/zinc/34/89/87/789348987.db2.gz IDGXDTUFKLOWLR-ZNMIVQPWSA-N 1 1 333.432 0.390 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC001073103627 789446309 /nfs/dbraw/zinc/44/63/09/789446309.db2.gz CKCQMMXOBGRGPV-UHFFFAOYSA-N 1 1 348.447 0.817 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001073183875 789588776 /nfs/dbraw/zinc/58/87/76/789588776.db2.gz XTIAVGSLOZELPJ-KDOFPFPSSA-N 1 1 337.464 0.905 20 30 ECEDMO C[C@@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001069221735 789673393 /nfs/dbraw/zinc/67/33/93/789673393.db2.gz VBMSXEXMEFSCCP-OLZOCXBDSA-N 1 1 328.420 0.656 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ccn(C)n4)C3)C2)C1=O ZINC001073431430 789832898 /nfs/dbraw/zinc/83/28/98/789832898.db2.gz XYUVOTCSXSCHAI-OAHLLOKOSA-N 1 1 343.431 0.355 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[N@@H+]([C@@H](C)COC)C3)CC1 ZINC001073457213 789864506 /nfs/dbraw/zinc/86/45/06/789864506.db2.gz GGMJYXRXMPWDPD-INIZCTEOSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)COC)C3)CC1 ZINC001073457213 789864510 /nfs/dbraw/zinc/86/45/10/789864510.db2.gz GGMJYXRXMPWDPD-INIZCTEOSA-N 1 1 333.476 0.901 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H](Nc3nccnc3C#N)C(C)(C)C2)C1 ZINC001069572494 789908513 /nfs/dbraw/zinc/90/85/13/789908513.db2.gz XNMXZNUEERZCPJ-JSGCOSHPSA-N 1 1 328.420 0.949 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069629035 789939484 /nfs/dbraw/zinc/93/94/84/789939484.db2.gz IFNMZXIRVDOLFA-KGLIPLIRSA-N 1 1 342.447 0.903 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CN(C)C(=O)N3)c2C1 ZINC001069869377 790129171 /nfs/dbraw/zinc/12/91/71/790129171.db2.gz JZCHOFNIVDOBPP-CQSZACIVSA-N 1 1 346.435 0.305 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CN(C)C(=O)N3)c2C1 ZINC001069869377 790129176 /nfs/dbraw/zinc/12/91/76/790129176.db2.gz JZCHOFNIVDOBPP-CQSZACIVSA-N 1 1 346.435 0.305 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@@H](n2ccnn2)C1 ZINC001069892176 790160082 /nfs/dbraw/zinc/16/00/82/790160082.db2.gz LURCYPQCIHGOAY-CABCVRRESA-N 1 1 327.392 0.690 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)c1 ZINC001069907906 790176634 /nfs/dbraw/zinc/17/66/34/790176634.db2.gz VKOGJUZCDPWNDT-KGLIPLIRSA-N 1 1 331.355 0.493 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)c[nH]1 ZINC001069911621 790180675 /nfs/dbraw/zinc/18/06/75/790180675.db2.gz BJMCJJRUYJTIQP-CABCVRRESA-N 1 1 325.376 0.543 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069924911 790196094 /nfs/dbraw/zinc/19/60/94/790196094.db2.gz LNKJLNXZUJRWDG-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069924911 790196095 /nfs/dbraw/zinc/19/60/95/790196095.db2.gz LNKJLNXZUJRWDG-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069941987 790217930 /nfs/dbraw/zinc/21/79/30/790217930.db2.gz HLJVWGJRQZWOTB-KGLIPLIRSA-N 1 1 337.399 0.714 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069941987 790217934 /nfs/dbraw/zinc/21/79/34/790217934.db2.gz HLJVWGJRQZWOTB-KGLIPLIRSA-N 1 1 337.399 0.714 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001069945609 790224022 /nfs/dbraw/zinc/22/40/22/790224022.db2.gz RMZRJBWTVBMQOI-KFWWJZLASA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001069945609 790224026 /nfs/dbraw/zinc/22/40/26/790224026.db2.gz RMZRJBWTVBMQOI-KFWWJZLASA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](n2ccnn2)C1 ZINC001069949199 790229281 /nfs/dbraw/zinc/22/92/81/790229281.db2.gz IZSAYUIMHQYQBL-HIFRSBDPSA-N 1 1 341.419 0.652 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](n2ccnn2)C1 ZINC001069949199 790229286 /nfs/dbraw/zinc/22/92/86/790229286.db2.gz IZSAYUIMHQYQBL-HIFRSBDPSA-N 1 1 341.419 0.652 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001069951253 790231898 /nfs/dbraw/zinc/23/18/98/790231898.db2.gz DWQCTOTUIJLYBR-KGLIPLIRSA-N 1 1 332.433 0.895 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001069951253 790231904 /nfs/dbraw/zinc/23/19/04/790231904.db2.gz DWQCTOTUIJLYBR-KGLIPLIRSA-N 1 1 332.433 0.895 20 30 ECEDMO C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959411 790241730 /nfs/dbraw/zinc/24/17/30/790241730.db2.gz UNTVHRCSVWEGEJ-PMPSAXMXSA-N 1 1 332.452 0.680 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965891 790252310 /nfs/dbraw/zinc/25/23/10/790252310.db2.gz KUSWSAPZUSLHPH-ZACQAIPSSA-N 1 1 344.463 0.373 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001069968450 790255963 /nfs/dbraw/zinc/25/59/63/790255963.db2.gz ZYLONZONSRDSHW-ZBFHGGJFSA-N 1 1 341.419 0.253 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001069968450 790255968 /nfs/dbraw/zinc/25/59/68/790255968.db2.gz ZYLONZONSRDSHW-ZBFHGGJFSA-N 1 1 341.419 0.253 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001068838001 791232892 /nfs/dbraw/zinc/23/28/92/791232892.db2.gz DHXANCBVGQVESG-JKSUJKDBSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@H+](C)CCC)CO2 ZINC001068940831 791470394 /nfs/dbraw/zinc/47/03/94/791470394.db2.gz RFCCUAGRLOVULQ-OAHLLOKOSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068994950 791563474 /nfs/dbraw/zinc/56/34/74/791563474.db2.gz SJGFDMHHVYVNTD-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)CO2 ZINC001069041017 791638430 /nfs/dbraw/zinc/63/84/30/791638430.db2.gz SLEGWPVCQQVOBM-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2cncc(C#N)n2)C[C@@H]1C ZINC001069174702 791758855 /nfs/dbraw/zinc/75/88/55/791758855.db2.gz CCMUQNKNDVMFME-WCQYABFASA-N 1 1 325.376 0.955 20 30 ECEDMO N#Cc1cnc(NC[C@H]2CN(C(=O)CCc3cnc[nH]3)CCO2)cn1 ZINC001066688000 791991816 /nfs/dbraw/zinc/99/18/16/791991816.db2.gz QYJPDOWLZQPHFJ-AWEZNQCLSA-N 1 1 341.375 0.343 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](CNc2cncc(C#N)n2)C1 ZINC001066690317 791999625 /nfs/dbraw/zinc/99/96/25/791999625.db2.gz GHBBKVJCOSIWHC-HUUCEWRRSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066699545 792024295 /nfs/dbraw/zinc/02/42/95/792024295.db2.gz AUCIJDUDMISVNR-IMJJTQAJSA-N 1 1 340.431 0.727 20 30 ECEDMO C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066703471 792033845 /nfs/dbraw/zinc/03/38/45/792033845.db2.gz ZNNXPVGFZFTWHK-RBSFLKMASA-N 1 1 340.431 0.727 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(Nc3ncccc3C#N)C2)C1 ZINC001066905816 792337875 /nfs/dbraw/zinc/33/78/75/792337875.db2.gz BFBMWZDJSSOTOZ-MAUKXSAKSA-N 1 1 343.431 0.670 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(Nc3ccnc(C#N)n3)C2)C1 ZINC001066906014 792339247 /nfs/dbraw/zinc/33/92/47/792339247.db2.gz IGLFODXZUWBCFP-SUMWQHHRSA-N 1 1 344.419 0.065 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(Nc3ccc(C#N)cn3)C2)C1 ZINC001066906299 792340639 /nfs/dbraw/zinc/34/06/39/792340639.db2.gz PUCXKHBELJDJJD-MAUKXSAKSA-N 1 1 343.431 0.670 20 30 ECEDMO Cc1cc(C#N)nc(NCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001067852023 792369673 /nfs/dbraw/zinc/36/96/73/792369673.db2.gz KJDQQDXBRBWJQQ-ROKHWSDSSA-N 1 1 328.420 0.915 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067853466 792375051 /nfs/dbraw/zinc/37/50/51/792375051.db2.gz KSUGVOYVDUQEHC-YMAMQOFZSA-N 1 1 342.447 0.951 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC[C@H]1C ZINC001067961167 792508371 /nfs/dbraw/zinc/50/83/71/792508371.db2.gz NZNQLVGFVFLMTK-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H](C)C#N)C1 ZINC001068006691 792566920 /nfs/dbraw/zinc/56/69/20/792566920.db2.gz XWOPGDVELVJAIF-GJZGRUSLSA-N 1 1 338.452 0.562 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC1(C)C ZINC001068126871 792717613 /nfs/dbraw/zinc/71/76/13/792717613.db2.gz ORVPPJYBZNCGDS-ZDUSSCGKSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H](Nc2nccnc2C#N)C1 ZINC001067166087 792769225 /nfs/dbraw/zinc/76/92/25/792769225.db2.gz DPEQTUYBKOOPIQ-SMDDNHRTSA-N 1 1 325.376 0.812 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001068189819 792811325 /nfs/dbraw/zinc/81/13/25/792811325.db2.gz JEYSYAGQUSQXMN-JONQDZQNSA-N 1 1 340.431 0.631 20 30 ECEDMO CC(C)C#CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001067363865 793042031 /nfs/dbraw/zinc/04/20/31/793042031.db2.gz YRZBLYUMATWLLV-IRXDYDNUSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068346536 793094373 /nfs/dbraw/zinc/09/43/73/793094373.db2.gz UIZMYVJVUWJBPB-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001067431082 793147830 /nfs/dbraw/zinc/14/78/30/793147830.db2.gz MGWFMAYIJMQGTP-HNNXBMFYSA-N 1 1 334.420 0.537 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001068388897 793181063 /nfs/dbraw/zinc/18/10/63/793181063.db2.gz QHFIIEMJZYEYHU-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068389197 793182426 /nfs/dbraw/zinc/18/24/26/793182426.db2.gz ZLEFULGZGVZMMS-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001068393917 793198290 /nfs/dbraw/zinc/19/82/90/793198290.db2.gz FCKSCCXEQBFJLQ-MRXNPFEDSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)Cn1c[nH+]cc1C)CCO2 ZINC001068413867 793263935 /nfs/dbraw/zinc/26/39/35/793263935.db2.gz QJXOMLJXUHZERF-UHFFFAOYSA-N 1 1 346.431 0.988 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)C[C@H]1CC[N@H+](C)C1)CCO2 ZINC001068416433 793270124 /nfs/dbraw/zinc/27/01/24/793270124.db2.gz NPNVNCDJBMHMFG-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCOC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001068423453 793289283 /nfs/dbraw/zinc/28/92/83/793289283.db2.gz OOEJYHVXKJPAEZ-UHFFFAOYSA-N 1 1 337.464 0.980 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001068452026 793335182 /nfs/dbraw/zinc/33/51/82/793335182.db2.gz WXPVWOCGJMXIJP-AWEZNQCLSA-N 1 1 336.436 0.318 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001267437523 837415946 /nfs/dbraw/zinc/41/59/46/837415946.db2.gz ZZBJCVRUCLXGTE-OKILXGFUSA-N 1 1 338.452 0.308 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)CC[NH2+]Cc1nnc(C)[nH]1 ZINC001267455542 837440291 /nfs/dbraw/zinc/44/02/91/837440291.db2.gz SFXFFFSSBKSGRR-UHFFFAOYSA-N 1 1 330.392 0.935 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)c2nc(C)c[nH]2)C1 ZINC001267487436 837549297 /nfs/dbraw/zinc/54/92/97/837549297.db2.gz DTDQTIHFUBTMEL-GJZGRUSLSA-N 1 1 345.447 0.783 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)c2nc(C)c[nH]2)C1 ZINC001267487436 837549304 /nfs/dbraw/zinc/54/93/04/837549304.db2.gz DTDQTIHFUBTMEL-GJZGRUSLSA-N 1 1 345.447 0.783 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cc(C)on2)C1 ZINC001267501438 837576993 /nfs/dbraw/zinc/57/69/93/837576993.db2.gz LEUOFUQMCKSPCZ-UONOGXRCSA-N 1 1 332.404 0.563 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cc(CC)ccn2)C1 ZINC001267531037 837704548 /nfs/dbraw/zinc/70/45/48/837704548.db2.gz KLPHWQPYNAUCSS-INIZCTEOSA-N 1 1 342.443 0.835 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001267544133 837732682 /nfs/dbraw/zinc/73/26/82/837732682.db2.gz JEBQDGJTRAWSQF-DLBZAZTESA-N 1 1 344.459 0.924 20 30 ECEDMO CCCN(C(=O)[C@H]1CCCC(=O)N1C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267549015 837749635 /nfs/dbraw/zinc/74/96/35/837749635.db2.gz QSUHZMCOPWQXMK-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO CCCN(C(=O)[C@H]1CCCC(=O)N1C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267549015 837749641 /nfs/dbraw/zinc/74/96/41/837749641.db2.gz QSUHZMCOPWQXMK-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO CCCN(C(=O)[C@H]1CCCC(=O)N1C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267549014 837749933 /nfs/dbraw/zinc/74/99/33/837749933.db2.gz QSUHZMCOPWQXMK-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO CCCN(C(=O)[C@H]1CCCC(=O)N1C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267549014 837749943 /nfs/dbraw/zinc/74/99/43/837749943.db2.gz QSUHZMCOPWQXMK-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001267552890 837755166 /nfs/dbraw/zinc/75/51/66/837755166.db2.gz WRZZVTMAKOFBBK-HNNXBMFYSA-N 1 1 341.415 0.348 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cncc(C)c2)C1 ZINC001267554633 837760880 /nfs/dbraw/zinc/76/08/80/837760880.db2.gz WCQOQSIJPQNUDW-CVEARBPZSA-N 1 1 342.443 0.970 20 30 ECEDMO O=C(C#CC1CC1)NCC[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267555988 837761730 /nfs/dbraw/zinc/76/17/30/837761730.db2.gz LOYDLSDSURXFCJ-JKSUJKDBSA-N 1 1 338.473 0.663 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267558721 837767746 /nfs/dbraw/zinc/76/77/46/837767746.db2.gz FZBZMLJAKQMJMB-OWCLPIDISA-N 1 1 336.480 0.457 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CCNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001267560380 837771182 /nfs/dbraw/zinc/77/11/82/837771182.db2.gz JMLHWTNNGCKAMC-GFCCVEGCSA-N 1 1 328.372 0.488 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)c2ccc(C#C)cc2)C1 ZINC001267560297 837771555 /nfs/dbraw/zinc/77/15/55/837771555.db2.gz FKXWQLVTLKWBEG-KRWDZBQOSA-N 1 1 337.423 0.859 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)nc1 ZINC001267567157 837786212 /nfs/dbraw/zinc/78/62/12/837786212.db2.gz LSCAQAIIJKPECX-OAHLLOKOSA-N 1 1 339.399 0.144 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001267566798 837786591 /nfs/dbraw/zinc/78/65/91/837786591.db2.gz HMCRHABTRSWYGE-CABCVRRESA-N 1 1 345.447 0.227 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001267572895 837810788 /nfs/dbraw/zinc/81/07/88/837810788.db2.gz ANLUBIAXARKHKD-IRXDYDNUSA-N 1 1 337.464 0.137 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CCc3ncncc3C2)CC1 ZINC001267573082 837812939 /nfs/dbraw/zinc/81/29/39/837812939.db2.gz IFXQRYFGBAMDSG-MRXNPFEDSA-N 1 1 341.459 0.291 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCc3ncncc3C2)CC1 ZINC001267573082 837812950 /nfs/dbraw/zinc/81/29/50/837812950.db2.gz IFXQRYFGBAMDSG-MRXNPFEDSA-N 1 1 341.459 0.291 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cnoc2CC)C1 ZINC001267575888 837827171 /nfs/dbraw/zinc/82/71/71/837827171.db2.gz MAQUAUZBHBQXJU-ZDUSSCGKSA-N 1 1 334.420 0.981 20 30 ECEDMO N#CCNC(=O)CN1CCC[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001266248591 835554268 /nfs/dbraw/zinc/55/42/68/835554268.db2.gz OWEWESJPGXADLD-LBPRGKRZSA-N 1 1 340.387 0.397 20 30 ECEDMO COc1cncc(CN2CC[NH+](CCCNC(=O)[C@H](C)C#N)CC2)n1 ZINC001266259486 835567971 /nfs/dbraw/zinc/56/79/71/835567971.db2.gz FGKCYZXOJFUGPD-CQSZACIVSA-N 1 1 346.435 0.269 20 30 ECEDMO C=C(Cl)CN1CC[NH+](CCCNC(=O)c2ncn(C)n2)CC1 ZINC001266263013 835575054 /nfs/dbraw/zinc/57/50/54/835575054.db2.gz SFOXCPBMLSYYOO-UHFFFAOYSA-N 1 1 326.832 0.305 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCNC(=O)CC2(C)CC2)CC1 ZINC001266267329 835584786 /nfs/dbraw/zinc/58/47/86/835584786.db2.gz YMBSXEWDRRJCAJ-UHFFFAOYSA-N 1 1 334.464 0.050 20 30 ECEDMO C[N@H+](CCNC(=O)C#CC1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001266273250 835594798 /nfs/dbraw/zinc/59/47/98/835594798.db2.gz NRRGWYNHJVIBGH-GFCCVEGCSA-N 1 1 331.338 0.611 20 30 ECEDMO C[N@@H+](CCNC(=O)C#CC1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001266273250 835594803 /nfs/dbraw/zinc/59/48/03/835594803.db2.gz NRRGWYNHJVIBGH-GFCCVEGCSA-N 1 1 331.338 0.611 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC001266273556 835596284 /nfs/dbraw/zinc/59/62/84/835596284.db2.gz MKAYWXXURCUPEK-UHFFFAOYSA-N 1 1 342.403 0.931 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC001266276131 835601038 /nfs/dbraw/zinc/60/10/38/835601038.db2.gz ZMCGLNGREHPSHR-UHFFFAOYSA-N 1 1 349.435 0.049 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cnc3[nH]ccc3c2)C1=O ZINC001266286773 835624503 /nfs/dbraw/zinc/62/45/03/835624503.db2.gz YIHOAWJPZVAMPV-HNNXBMFYSA-N 1 1 341.415 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cnc3[nH]ccc3c2)C1=O ZINC001266286773 835624507 /nfs/dbraw/zinc/62/45/07/835624507.db2.gz YIHOAWJPZVAMPV-HNNXBMFYSA-N 1 1 341.415 0.963 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001266321822 835695349 /nfs/dbraw/zinc/69/53/49/835695349.db2.gz WZPWHOGPKYFCHO-DAYGRLMNSA-N 1 1 333.432 0.414 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001266321822 835695353 /nfs/dbraw/zinc/69/53/53/835695353.db2.gz WZPWHOGPKYFCHO-DAYGRLMNSA-N 1 1 333.432 0.414 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001266330436 835711896 /nfs/dbraw/zinc/71/18/96/835711896.db2.gz DHCLACVQYDPJJA-OCCSQVGLSA-N 1 1 348.472 0.631 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001266330436 835711906 /nfs/dbraw/zinc/71/19/06/835711906.db2.gz DHCLACVQYDPJJA-OCCSQVGLSA-N 1 1 348.472 0.631 20 30 ECEDMO CC#CCCCC(=O)N[C@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC001266335695 835718763 /nfs/dbraw/zinc/71/87/63/835718763.db2.gz CLYYYUUTDBDOEN-HNNXBMFYSA-N 1 1 343.493 0.652 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccn2ccnc12 ZINC001266338155 835722244 /nfs/dbraw/zinc/72/22/44/835722244.db2.gz YCIOAPSSDGOLCV-CYBMUJFWSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccn2ccnc12 ZINC001266338155 835722251 /nfs/dbraw/zinc/72/22/51/835722251.db2.gz YCIOAPSSDGOLCV-CYBMUJFWSA-N 1 1 329.404 0.687 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 ZINC001266339395 835724723 /nfs/dbraw/zinc/72/47/23/835724723.db2.gz PNMISVSSMVVUSH-IAGOWNOFSA-N 1 1 335.448 0.522 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 ZINC001266339395 835724728 /nfs/dbraw/zinc/72/47/28/835724728.db2.gz PNMISVSSMVVUSH-IAGOWNOFSA-N 1 1 335.448 0.522 20 30 ECEDMO Cn1cnnc1COCC(=O)NCC[N@H+](C)CC#Cc1ccccc1 ZINC001266341706 835726902 /nfs/dbraw/zinc/72/69/02/835726902.db2.gz ABGQLOZKDORCPT-UHFFFAOYSA-N 1 1 341.415 0.431 20 30 ECEDMO Cn1cnnc1COCC(=O)NCC[N@@H+](C)CC#Cc1ccccc1 ZINC001266341706 835726909 /nfs/dbraw/zinc/72/69/09/835726909.db2.gz ABGQLOZKDORCPT-UHFFFAOYSA-N 1 1 341.415 0.431 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc2c(c1)COC2 ZINC001266351835 835751023 /nfs/dbraw/zinc/75/10/23/835751023.db2.gz BUZLXIJZIMSMIA-CQSZACIVSA-N 1 1 343.427 0.445 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1ccc2c(c1)COC2 ZINC001266351835 835751029 /nfs/dbraw/zinc/75/10/29/835751029.db2.gz BUZLXIJZIMSMIA-CQSZACIVSA-N 1 1 343.427 0.445 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)c2cnn(C)n2)CC1 ZINC001266390364 835797704 /nfs/dbraw/zinc/79/77/04/835797704.db2.gz VCIHIABAYNANIM-UHFFFAOYSA-N 1 1 348.451 0.434 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)[C@@H](C)c1nnc(CC)[nH]1 ZINC001266394026 835802002 /nfs/dbraw/zinc/80/20/02/835802002.db2.gz GZXTUAUPBMJALC-GJZGRUSLSA-N 1 1 346.479 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)[C@@H](C)c1nnc(CC)[nH]1 ZINC001266394026 835802010 /nfs/dbraw/zinc/80/20/10/835802010.db2.gz GZXTUAUPBMJALC-GJZGRUSLSA-N 1 1 346.479 0.964 20 30 ECEDMO CC[N@H+](CCNC(=O)c1c[nH]c2ccc(F)cc12)CC(=O)NCC#N ZINC001266440369 835844343 /nfs/dbraw/zinc/84/43/43/835844343.db2.gz QEUMVWJVDFFESK-UHFFFAOYSA-N 1 1 345.378 0.998 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1c[nH]c2ccc(F)cc12)CC(=O)NCC#N ZINC001266440369 835844348 /nfs/dbraw/zinc/84/43/48/835844348.db2.gz QEUMVWJVDFFESK-UHFFFAOYSA-N 1 1 345.378 0.998 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C=C(C)C ZINC001266446167 835849909 /nfs/dbraw/zinc/84/99/09/835849909.db2.gz BQZKNYOMUWTEDU-KGLIPLIRSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C=C(C)C ZINC001266446167 835849917 /nfs/dbraw/zinc/84/99/17/835849917.db2.gz BQZKNYOMUWTEDU-KGLIPLIRSA-N 1 1 336.436 0.934 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)c2ccn(C)c2)C1 ZINC001266451206 835854887 /nfs/dbraw/zinc/85/48/87/835854887.db2.gz BFBYJRUACMIBAZ-OAHLLOKOSA-N 1 1 330.432 0.559 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1)n1cccc1 ZINC001266455450 835857340 /nfs/dbraw/zinc/85/73/40/835857340.db2.gz FGZVMBWPMZZWKJ-CVEARBPZSA-N 1 1 345.447 0.859 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001266455456 835857894 /nfs/dbraw/zinc/85/78/94/835857894.db2.gz FHGUMTIMFGXGJF-MPGHIAIKSA-N 1 1 335.448 0.496 20 30 ECEDMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001266456559 835859343 /nfs/dbraw/zinc/85/93/43/835859343.db2.gz ZGWCMJJJCYUKTA-CQSZACIVSA-N 1 1 334.420 0.026 20 30 ECEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001266459009 835862410 /nfs/dbraw/zinc/86/24/10/835862410.db2.gz IBNGIIOCYCYSLK-CQSZACIVSA-N 1 1 331.482 0.672 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001266469076 835872005 /nfs/dbraw/zinc/87/20/05/835872005.db2.gz DROJFXICTZHJAI-AWEZNQCLSA-N 1 1 346.497 0.129 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)cc1C ZINC001266480392 835880926 /nfs/dbraw/zinc/88/09/26/835880926.db2.gz QBLJZOYLRGAILY-OAHLLOKOSA-N 1 1 343.427 0.947 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)cc1C ZINC001266480392 835880934 /nfs/dbraw/zinc/88/09/34/835880934.db2.gz QBLJZOYLRGAILY-OAHLLOKOSA-N 1 1 343.427 0.947 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CN(C)S(=O)(=O)CC ZINC001266488144 835887649 /nfs/dbraw/zinc/88/76/49/835887649.db2.gz CZJKOZSAZYPFIP-AWEZNQCLSA-N 1 1 331.482 0.815 20 30 ECEDMO C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CC)n1 ZINC001266496473 835896724 /nfs/dbraw/zinc/89/67/24/835896724.db2.gz OJINKVISFLLTSI-GASCZTMLSA-N 1 1 346.431 0.755 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CC)n1 ZINC001266496473 835896732 /nfs/dbraw/zinc/89/67/32/835896732.db2.gz OJINKVISFLLTSI-GASCZTMLSA-N 1 1 346.431 0.755 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H](C)COC)C2)CC1 ZINC001266504914 835905733 /nfs/dbraw/zinc/90/57/33/835905733.db2.gz XYROAMISHCNUTM-DLBZAZTESA-N 1 1 349.475 0.675 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CCc2ccoc2)C1 ZINC001266509088 835913996 /nfs/dbraw/zinc/91/39/96/835913996.db2.gz MCBJKSCHBHGCFG-GDBMZVCRSA-N 1 1 331.416 0.788 20 30 ECEDMO COCC#CCN1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266513597 835923557 /nfs/dbraw/zinc/92/35/57/835923557.db2.gz CZFPEPQKFWNMTF-INIZCTEOSA-N 1 1 347.463 0.146 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2(c3ccccn3)CC2)C1 ZINC001266514800 835925359 /nfs/dbraw/zinc/92/53/59/835925359.db2.gz VICDVZHHDPWKIC-CQSZACIVSA-N 1 1 341.415 0.191 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C2(c3ccccn3)CC2)C1 ZINC001266514800 835925364 /nfs/dbraw/zinc/92/53/64/835925364.db2.gz VICDVZHHDPWKIC-CQSZACIVSA-N 1 1 341.415 0.191 20 30 ECEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001266517580 835928701 /nfs/dbraw/zinc/92/87/01/835928701.db2.gz LKZGSAAFQUWGQA-CQSZACIVSA-N 1 1 336.436 0.723 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)ccc2F)C1 ZINC001266537685 835956511 /nfs/dbraw/zinc/95/65/11/835956511.db2.gz QMQOHMMEIOMRIO-AWEZNQCLSA-N 1 1 331.391 0.935 20 30 ECEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C1 ZINC001266537841 835957826 /nfs/dbraw/zinc/95/78/26/835957826.db2.gz SZGVGZMMNIVYSF-AWEZNQCLSA-N 1 1 345.509 0.918 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2c(C)nn(CC)c2C)C1 ZINC001266539680 835960483 /nfs/dbraw/zinc/96/04/83/835960483.db2.gz GFYHZDXBGFHLCV-OAHLLOKOSA-N 1 1 345.447 0.321 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001266549090 835971925 /nfs/dbraw/zinc/97/19/25/835971925.db2.gz NFTWAVBHFOVAMX-CYBMUJFWSA-N 1 1 347.419 0.387 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001266549090 835971930 /nfs/dbraw/zinc/97/19/30/835971930.db2.gz NFTWAVBHFOVAMX-CYBMUJFWSA-N 1 1 347.419 0.387 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@](C)(NC(C)=O)C(C)C)C1 ZINC001266551248 835977468 /nfs/dbraw/zinc/97/74/68/835977468.db2.gz NZFHHPNLRRFFDG-FUHWJXTLSA-N 1 1 337.464 0.625 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(CC)n(C)n2)C1 ZINC001266551803 835978142 /nfs/dbraw/zinc/97/81/42/835978142.db2.gz ZSCXIEBBKPTXLV-ZDUSSCGKSA-N 1 1 333.436 0.336 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCC)CCNC(=O)c2cccnn2)C1=O ZINC001266575221 836005266 /nfs/dbraw/zinc/00/52/66/836005266.db2.gz IARFXMAZOWIFHP-OAHLLOKOSA-N 1 1 331.420 0.705 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001266579290 836009253 /nfs/dbraw/zinc/00/92/53/836009253.db2.gz LXQXJOGTBXDSJG-INIZCTEOSA-N 1 1 325.453 0.185 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@]1(CO)CCC[N@H+](CCOCC(F)(F)F)C1 ZINC001279471060 836073323 /nfs/dbraw/zinc/07/33/23/836073323.db2.gz KBFHXIQQEDULRA-DGCLKSJQSA-N 1 1 337.342 0.668 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@]1(CO)CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC001279471060 836073331 /nfs/dbraw/zinc/07/33/31/836073331.db2.gz KBFHXIQQEDULRA-DGCLKSJQSA-N 1 1 337.342 0.668 20 30 ECEDMO C#CCOCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCNC1=O ZINC001266647926 836082623 /nfs/dbraw/zinc/08/26/23/836082623.db2.gz HKAMVATWMMZPQK-UYTSQGDYSA-N 1 1 333.432 0.417 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2=CCOCC2)C1 ZINC001266660332 836098534 /nfs/dbraw/zinc/09/85/34/836098534.db2.gz WJDAZBTUMHJLNI-IAGOWNOFSA-N 1 1 347.459 0.948 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cnccc2C)C1 ZINC001266742578 836226384 /nfs/dbraw/zinc/22/63/84/836226384.db2.gz CARNKMGKYBDTKY-OAHLLOKOSA-N 1 1 328.416 0.581 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001266746604 836233778 /nfs/dbraw/zinc/23/37/78/836233778.db2.gz HJDORQDAWVGWPO-UONOGXRCSA-N 1 1 348.451 0.256 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001266746604 836233781 /nfs/dbraw/zinc/23/37/81/836233781.db2.gz HJDORQDAWVGWPO-UONOGXRCSA-N 1 1 348.451 0.256 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001266746604 836233791 /nfs/dbraw/zinc/23/37/91/836233791.db2.gz HJDORQDAWVGWPO-UONOGXRCSA-N 1 1 348.451 0.256 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001266754538 836247885 /nfs/dbraw/zinc/24/78/85/836247885.db2.gz CTWQMXDMPWOAOF-INIZCTEOSA-N 1 1 336.480 0.555 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)c(C)cn2)C1 ZINC001266756083 836252055 /nfs/dbraw/zinc/25/20/55/836252055.db2.gz ZWJFAWZYKNIMFY-MRXNPFEDSA-N 1 1 342.443 0.890 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001266767416 836273629 /nfs/dbraw/zinc/27/36/29/836273629.db2.gz NAJBUIGBWSVLPH-CVEARBPZSA-N 1 1 336.480 0.294 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001266767416 836273637 /nfs/dbraw/zinc/27/36/37/836273637.db2.gz NAJBUIGBWSVLPH-CVEARBPZSA-N 1 1 336.480 0.294 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001266768048 836275453 /nfs/dbraw/zinc/27/54/53/836275453.db2.gz WVUCQYZDTFMDOY-CABCVRRESA-N 1 1 327.428 0.912 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CC1 ZINC001266842440 836368813 /nfs/dbraw/zinc/36/88/13/836368813.db2.gz OAFYBULUSYXJCJ-ZBFHGGJFSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CCNC(=O)C1CC1 ZINC001266842440 836368818 /nfs/dbraw/zinc/36/88/18/836368818.db2.gz OAFYBULUSYXJCJ-ZBFHGGJFSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001266844472 836371327 /nfs/dbraw/zinc/37/13/27/836371327.db2.gz LCXORPFYVVLONH-OAHLLOKOSA-N 1 1 348.447 0.484 20 30 ECEDMO CCCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC#CCOC)nn1 ZINC001266858100 836395790 /nfs/dbraw/zinc/39/57/90/836395790.db2.gz RDZFCCXNSXYDGN-OAHLLOKOSA-N 1 1 333.436 0.922 20 30 ECEDMO CCCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC#CCOC)nn1 ZINC001266858100 836395800 /nfs/dbraw/zinc/39/58/00/836395800.db2.gz RDZFCCXNSXYDGN-OAHLLOKOSA-N 1 1 333.436 0.922 20 30 ECEDMO C#CCOCCC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1nnnn1C ZINC001266867848 836412033 /nfs/dbraw/zinc/41/20/33/836412033.db2.gz QGNXDQCNOPZVDT-UONOGXRCSA-N 1 1 334.424 0.282 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C1=NC(=O)N(C)C1 ZINC001266875920 836423470 /nfs/dbraw/zinc/42/34/70/836423470.db2.gz CFTBBOHPVAHLOL-STQMWFEESA-N 1 1 349.435 0.401 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001266892273 836443026 /nfs/dbraw/zinc/44/30/26/836443026.db2.gz UEDRBNPCBPEXGP-OLZOCXBDSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001266894300 836444896 /nfs/dbraw/zinc/44/48/96/836444896.db2.gz HWKMUWIKQQAISF-ZIAGYGMSSA-N 1 1 334.420 0.329 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]1CCC ZINC001266902144 836457396 /nfs/dbraw/zinc/45/73/96/836457396.db2.gz LXBVGYUASYJUHA-IMSKVBIZSA-N 1 1 331.460 0.999 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]1CCC ZINC001266902144 836457401 /nfs/dbraw/zinc/45/74/01/836457401.db2.gz LXBVGYUASYJUHA-IMSKVBIZSA-N 1 1 331.460 0.999 20 30 ECEDMO C#Cc1cccc(NC(=O)CN[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001266992915 836575244 /nfs/dbraw/zinc/57/52/44/836575244.db2.gz FRUYDYSFRZOQTJ-ZBFHGGJFSA-N 1 1 342.443 0.652 20 30 ECEDMO C#Cc1cccc(NC(=O)CN[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001266992915 836575245 /nfs/dbraw/zinc/57/52/45/836575245.db2.gz FRUYDYSFRZOQTJ-ZBFHGGJFSA-N 1 1 342.443 0.652 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC001267101225 836771787 /nfs/dbraw/zinc/77/17/87/836771787.db2.gz RCONIVHZTJURME-HUUCEWRRSA-N 1 1 331.420 0.116 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC001267101225 836771792 /nfs/dbraw/zinc/77/17/92/836771792.db2.gz RCONIVHZTJURME-HUUCEWRRSA-N 1 1 331.420 0.116 20 30 ECEDMO C=CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001267104007 836780117 /nfs/dbraw/zinc/78/01/17/836780117.db2.gz KCULZFOWDPDTBI-CQSZACIVSA-N 1 1 330.450 0.156 20 30 ECEDMO C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001267104007 836780123 /nfs/dbraw/zinc/78/01/23/836780123.db2.gz KCULZFOWDPDTBI-CQSZACIVSA-N 1 1 330.450 0.156 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001267105292 836782817 /nfs/dbraw/zinc/78/28/17/836782817.db2.gz JGHOJQVYSBFVED-ZIAGYGMSSA-N 1 1 325.453 0.761 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCCF)C1 ZINC001267109443 836793764 /nfs/dbraw/zinc/79/37/64/836793764.db2.gz VOJUWGBFKJIFGG-ZDUSSCGKSA-N 1 1 342.415 0.671 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CCCF)C1 ZINC001267109443 836793768 /nfs/dbraw/zinc/79/37/68/836793768.db2.gz VOJUWGBFKJIFGG-ZDUSSCGKSA-N 1 1 342.415 0.671 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267114343 836805154 /nfs/dbraw/zinc/80/51/54/836805154.db2.gz CVQNURKUBCQRSC-KGLIPLIRSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCCO1 ZINC001267164583 836884783 /nfs/dbraw/zinc/88/47/83/836884783.db2.gz GFRUSWUWJILKSJ-CVEARBPZSA-N 1 1 335.448 0.666 20 30 ECEDMO C=CCOCC(=O)NCC[N@@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC001267189522 836949084 /nfs/dbraw/zinc/94/90/84/836949084.db2.gz WQANHKUESOFXRB-UHFFFAOYSA-N 1 1 336.417 0.507 20 30 ECEDMO C=CCOCC(=O)NCC[N@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC001267189522 836949093 /nfs/dbraw/zinc/94/90/93/836949093.db2.gz WQANHKUESOFXRB-UHFFFAOYSA-N 1 1 336.417 0.507 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CCCc3n[nH]cc32)C1=O ZINC001267195713 836959876 /nfs/dbraw/zinc/95/98/76/836959876.db2.gz LDEKDIIYYOLHLB-XJKSGUPXSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CCCc3n[nH]cc32)C1=O ZINC001267195713 836959879 /nfs/dbraw/zinc/95/98/79/836959879.db2.gz LDEKDIIYYOLHLB-XJKSGUPXSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC1(F)F ZINC001267203031 836978176 /nfs/dbraw/zinc/97/81/76/836978176.db2.gz BPLHUEBEHVIRIG-SNVBAGLBSA-N 1 1 332.351 0.092 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC1(F)F ZINC001267203031 836978182 /nfs/dbraw/zinc/97/81/82/836978182.db2.gz BPLHUEBEHVIRIG-SNVBAGLBSA-N 1 1 332.351 0.092 20 30 ECEDMO C[N@H+](CCNC(=O)C1CC(=O)NC(=O)C1)Cc1ccc(C#N)s1 ZINC001267221890 837015444 /nfs/dbraw/zinc/01/54/44/837015444.db2.gz ZWRMKCHUYJGGGJ-UHFFFAOYSA-N 1 1 334.401 0.221 20 30 ECEDMO C[N@@H+](CCNC(=O)C1CC(=O)NC(=O)C1)Cc1ccc(C#N)s1 ZINC001267221890 837015459 /nfs/dbraw/zinc/01/54/59/837015459.db2.gz ZWRMKCHUYJGGGJ-UHFFFAOYSA-N 1 1 334.401 0.221 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@@H+](CC)CC(=O)N1CCC[C@H](C)C1 ZINC001267241098 837049679 /nfs/dbraw/zinc/04/96/79/837049679.db2.gz JYWBZLNAUZQOHE-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@H+](CC)CC(=O)N1CCC[C@H](C)C1 ZINC001267241098 837049689 /nfs/dbraw/zinc/04/96/89/837049689.db2.gz JYWBZLNAUZQOHE-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cnc2n1CCOC2 ZINC001267242953 837053787 /nfs/dbraw/zinc/05/37/87/837053787.db2.gz DJAGXDQAPJQYOD-ZDUSSCGKSA-N 1 1 349.435 0.156 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cnc2n1CCOC2 ZINC001267242953 837053798 /nfs/dbraw/zinc/05/37/98/837053798.db2.gz DJAGXDQAPJQYOD-ZDUSSCGKSA-N 1 1 349.435 0.156 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)c1c[nH]c(C#N)c1)CC(=O)N1CCC1 ZINC001267248147 837062365 /nfs/dbraw/zinc/06/23/65/837062365.db2.gz OJKGKBSLCPBITG-UHFFFAOYSA-N 1 1 331.420 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2cnn(C)c2OC)C1=O ZINC001267254883 837075216 /nfs/dbraw/zinc/07/52/16/837075216.db2.gz JEWHWRJZKHPNTC-CQSZACIVSA-N 1 1 349.435 0.267 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1ncccc1F ZINC001267274013 837116686 /nfs/dbraw/zinc/11/66/86/837116686.db2.gz JXEXRLUSBNCTEC-ZDUSSCGKSA-N 1 1 332.379 0.093 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ncccc1F ZINC001267274013 837116693 /nfs/dbraw/zinc/11/66/93/837116693.db2.gz JXEXRLUSBNCTEC-ZDUSSCGKSA-N 1 1 332.379 0.093 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1cncnc1 ZINC001267276411 837121180 /nfs/dbraw/zinc/12/11/80/837121180.db2.gz MXZZZGPDHUIJLM-HOCLYGCPSA-N 1 1 343.431 0.128 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1cncnc1 ZINC001267276411 837121186 /nfs/dbraw/zinc/12/11/86/837121186.db2.gz MXZZZGPDHUIJLM-HOCLYGCPSA-N 1 1 343.431 0.128 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cccc(OC)n1 ZINC001267279448 837124525 /nfs/dbraw/zinc/12/45/25/837124525.db2.gz FPHIXVKQSJJHIY-KGLIPLIRSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(OC)n1 ZINC001267279448 837124531 /nfs/dbraw/zinc/12/45/31/837124531.db2.gz FPHIXVKQSJJHIY-KGLIPLIRSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cncnc1CC ZINC001267281620 837129338 /nfs/dbraw/zinc/12/93/38/837129338.db2.gz KQVQIPXXQKCEDV-KGLIPLIRSA-N 1 1 343.431 0.371 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cncnc1CC ZINC001267281620 837129341 /nfs/dbraw/zinc/12/93/41/837129341.db2.gz KQVQIPXXQKCEDV-KGLIPLIRSA-N 1 1 343.431 0.371 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](CNC(=O)C2=COCCO2)C1 ZINC001267285439 837135711 /nfs/dbraw/zinc/13/57/11/837135711.db2.gz IGLRZYHXZDKROJ-OAHLLOKOSA-N 1 1 349.431 0.513 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001267288793 837140156 /nfs/dbraw/zinc/14/01/56/837140156.db2.gz UXMTYUUIQNJYJI-CABCVRRESA-N 1 1 343.493 0.672 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CC2CCOCC2)C1 ZINC001267290296 837141794 /nfs/dbraw/zinc/14/17/94/837141794.db2.gz NBIBYJUCRASRCD-ZBFHGGJFSA-N 1 1 335.448 0.379 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CCc2ccnn2C)C1 ZINC001267294267 837147719 /nfs/dbraw/zinc/14/77/19/837147719.db2.gz FPNLRZPFGPKDBO-HUUCEWRRSA-N 1 1 347.463 0.482 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ncc(C)cc2OC)C1 ZINC001267296980 837156289 /nfs/dbraw/zinc/15/62/89/837156289.db2.gz YSECLCPMDKPOMM-AWEZNQCLSA-N 1 1 344.415 0.200 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)c2cnn(C)c2)C1 ZINC001267298459 837160381 /nfs/dbraw/zinc/16/03/81/837160381.db2.gz NTFKPEBPAGEAJQ-GJZGRUSLSA-N 1 1 345.447 0.101 20 30 ECEDMO CC#CCCCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001267300675 837164433 /nfs/dbraw/zinc/16/44/33/837164433.db2.gz RKHAGJTVODXEGQ-SJORKVTESA-N 1 1 349.475 0.771 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)C(=O)N2CCC(C)CC2)C1 ZINC001267303598 837169278 /nfs/dbraw/zinc/16/92/78/837169278.db2.gz PMEGDJQFVRFVGI-INIZCTEOSA-N 1 1 335.448 0.333 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CCc2ncccn2)C1 ZINC001267304258 837173317 /nfs/dbraw/zinc/17/33/17/837173317.db2.gz GKMSOEGTGWKTPW-CABCVRRESA-N 1 1 345.447 0.538 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)[C@H]1CCC(=O)NC1=O ZINC001267311990 837186224 /nfs/dbraw/zinc/18/62/24/837186224.db2.gz LYQDZTSERUKTCH-ZDUSSCGKSA-N 1 1 331.376 0.133 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)[C@@]1(F)CCOC1 ZINC001267317080 837193377 /nfs/dbraw/zinc/19/33/77/837193377.db2.gz NNRPSNMJONDUIA-CZUORRHYSA-N 1 1 327.400 0.081 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCC)CCNC(=O)[C@@]2(F)CCOC2)C1=O ZINC001267317011 837194202 /nfs/dbraw/zinc/19/42/02/837194202.db2.gz LDNIMCCGKOCKIU-WMLDXEAASA-N 1 1 341.427 0.730 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1ccc2c(c1)COC2)C1CC1 ZINC001267335452 837218274 /nfs/dbraw/zinc/21/82/74/837218274.db2.gz VXKMDXAYZREQCZ-UHFFFAOYSA-N 1 1 342.399 0.551 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1ccc2c(c1)COC2)C1CC1 ZINC001267335452 837218283 /nfs/dbraw/zinc/21/82/83/837218283.db2.gz VXKMDXAYZREQCZ-UHFFFAOYSA-N 1 1 342.399 0.551 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](CNC(=O)c1cnccn1)c1ccccc1 ZINC001267346296 837232891 /nfs/dbraw/zinc/23/28/91/837232891.db2.gz NOTUQJJCYFXJLX-OAHLLOKOSA-N 1 1 339.399 0.840 20 30 ECEDMO Cc1cc(C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)c2ccccc2)on1 ZINC001267350183 837237912 /nfs/dbraw/zinc/23/79/12/837237912.db2.gz BHRGRENQHJLVDK-AWEZNQCLSA-N 1 1 341.371 0.684 20 30 ECEDMO C[N@@H+](C[C@H](O)Cn1cccn1)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267581425 837845994 /nfs/dbraw/zinc/84/59/94/837845994.db2.gz PMCCIDLUBKSLKN-IRXDYDNUSA-N 1 1 330.432 0.438 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cc(CC)nn2C)C1 ZINC001267584175 837855219 /nfs/dbraw/zinc/85/52/19/837855219.db2.gz VPSONYZPASADBR-CQSZACIVSA-N 1 1 345.447 0.174 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn3cccnc23)C1 ZINC001267587155 837866208 /nfs/dbraw/zinc/86/62/08/837866208.db2.gz HTBHGXYSXZSEAG-HNNXBMFYSA-N 1 1 341.415 0.773 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001267588811 837873097 /nfs/dbraw/zinc/87/30/97/837873097.db2.gz JPPUYSKPAQESSF-QAPCUYQASA-N 1 1 337.464 0.886 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC001267589270 837874948 /nfs/dbraw/zinc/87/49/48/837874948.db2.gz IKDGLSFITLRIGT-LBPRGKRZSA-N 1 1 349.822 0.769 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001267596117 837899760 /nfs/dbraw/zinc/89/97/60/837899760.db2.gz WUQQPMYGMJZZIK-HOTGVXAUSA-N 1 1 342.443 0.763 20 30 ECEDMO C=CCOCC(=O)N1CCC(C[N@H+](C)[C@@H](C)C(=O)N(C)C)CC1 ZINC001267597629 837902897 /nfs/dbraw/zinc/90/28/97/837902897.db2.gz FNEINPMMAIHEGJ-AWEZNQCLSA-N 1 1 325.453 0.836 20 30 ECEDMO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC#CCOC)C1)N1CCCC1=O ZINC001267597409 837903820 /nfs/dbraw/zinc/90/38/20/837903820.db2.gz WUFUVWYCOAMYQA-IAGOWNOFSA-N 1 1 349.475 0.818 20 30 ECEDMO Cc1ccn(C)c1C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267598630 837907459 /nfs/dbraw/zinc/90/74/59/837907459.db2.gz LICVTEPLGBDMAV-UHFFFAOYSA-N 1 1 345.447 0.757 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@H](C)n2cncn2)CC1 ZINC001267598704 837907714 /nfs/dbraw/zinc/90/77/14/837907714.db2.gz NMCMLJKYGNAYHB-AWEZNQCLSA-N 1 1 348.451 0.312 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001267600198 837915669 /nfs/dbraw/zinc/91/56/69/837915669.db2.gz CXQQSZZPUINSAN-UONOGXRCSA-N 1 1 346.431 0.920 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001267602229 837925783 /nfs/dbraw/zinc/92/57/83/837925783.db2.gz XHKINYQWSGHNMJ-GFCCVEGCSA-N 1 1 342.827 0.461 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 ZINC001267603808 837932753 /nfs/dbraw/zinc/93/27/53/837932753.db2.gz BUXDUPRDHLTTND-QGZVFWFLSA-N 1 1 349.475 0.818 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001267604947 837938449 /nfs/dbraw/zinc/93/84/49/837938449.db2.gz IRMKFQFPAGFALH-CYBMUJFWSA-N 1 1 326.441 0.071 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CCc3cnn(C)c3C2)CC1 ZINC001267609396 837969721 /nfs/dbraw/zinc/96/97/21/837969721.db2.gz YXEORPBRIPTSKH-MRXNPFEDSA-N 1 1 343.475 0.234 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCc3cnn(C)c3C2)CC1 ZINC001267609396 837969728 /nfs/dbraw/zinc/96/97/28/837969728.db2.gz YXEORPBRIPTSKH-MRXNPFEDSA-N 1 1 343.475 0.234 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)c2cccc(=O)n2C)CC1 ZINC001267612344 837980622 /nfs/dbraw/zinc/98/06/22/837980622.db2.gz GJUKWTIZGLCFQG-UHFFFAOYSA-N 1 1 330.432 0.098 20 30 ECEDMO CC#CCN1CC[NH+](CCN(C)C(=O)c2cccc(=O)n2C)CC1 ZINC001267612344 837980631 /nfs/dbraw/zinc/98/06/31/837980631.db2.gz GJUKWTIZGLCFQG-UHFFFAOYSA-N 1 1 330.432 0.098 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001267618197 838048764 /nfs/dbraw/zinc/04/87/64/838048764.db2.gz YCOHOWOKZLCEIA-UKRRQHHQSA-N 1 1 348.451 0.019 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001267618197 838048771 /nfs/dbraw/zinc/04/87/71/838048771.db2.gz YCOHOWOKZLCEIA-UKRRQHHQSA-N 1 1 348.451 0.019 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625527 838074831 /nfs/dbraw/zinc/07/48/31/838074831.db2.gz MJLVLTFSDZSWGF-OLZOCXBDSA-N 1 1 338.477 0.691 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)C[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001267626759 838076323 /nfs/dbraw/zinc/07/63/23/838076323.db2.gz ZUBZISQLILUZHL-ZDUSSCGKSA-N 1 1 339.465 0.049 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CCc2cnn(C)c2)C1 ZINC001267646088 838131235 /nfs/dbraw/zinc/13/12/35/838131235.db2.gz LNTLLMHENKLNEB-NVXWUHKLSA-N 1 1 332.448 0.781 20 30 ECEDMO COCCOC[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001267646457 838133139 /nfs/dbraw/zinc/13/31/39/838133139.db2.gz PETPPJNSXRSHKP-IRXDYDNUSA-N 1 1 340.464 0.450 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC2CCCC2)C1 ZINC001267646952 838135962 /nfs/dbraw/zinc/13/59/62/838135962.db2.gz TWQDOIQICGACHR-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO CCO[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1)C1CC1 ZINC001267653333 838157707 /nfs/dbraw/zinc/15/77/07/838157707.db2.gz PQBWEBVYVVYNEB-XJKSGUPXSA-N 1 1 336.436 0.222 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH+]1CC(CNC(=O)C2=COCCC2)C1 ZINC001267676993 838223653 /nfs/dbraw/zinc/22/36/53/838223653.db2.gz UFNVDQBOPPOEHP-UHFFFAOYSA-N 1 1 333.432 0.929 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001267682603 838242809 /nfs/dbraw/zinc/24/28/09/838242809.db2.gz CEOZINXNBIBNSW-HIFRSBDPSA-N 1 1 347.463 0.566 20 30 ECEDMO CCc1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C2)n(C)n1 ZINC001267696222 838284943 /nfs/dbraw/zinc/28/49/43/838284943.db2.gz CWTPBRFWWOZUCQ-ZDUSSCGKSA-N 1 1 346.435 0.016 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001267696616 838285773 /nfs/dbraw/zinc/28/57/73/838285773.db2.gz ILZUCIBWSVYNHZ-CYBMUJFWSA-N 1 1 332.404 0.157 20 30 ECEDMO CCCc1nc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C2)co1 ZINC001267697491 838287403 /nfs/dbraw/zinc/28/74/03/838287403.db2.gz RXMMXEVOJMOOPO-ZDUSSCGKSA-N 1 1 347.419 0.661 20 30 ECEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001267697321 838290339 /nfs/dbraw/zinc/29/03/39/838290339.db2.gz QPGDGGOGHDGHIP-CQSZACIVSA-N 1 1 336.436 0.627 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2snnc2C)CC1 ZINC001267714404 838341958 /nfs/dbraw/zinc/34/19/58/838341958.db2.gz GLKXEWGBJBLLQV-UHFFFAOYSA-N 1 1 349.460 0.380 20 30 ECEDMO CNC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001267723109 838377893 /nfs/dbraw/zinc/37/78/93/838377893.db2.gz VZRQOAGCULQALU-INIZCTEOSA-N 1 1 328.416 0.548 20 30 ECEDMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267723109 838377897 /nfs/dbraw/zinc/37/78/97/838377897.db2.gz VZRQOAGCULQALU-INIZCTEOSA-N 1 1 328.416 0.548 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001267728488 838410359 /nfs/dbraw/zinc/41/03/59/838410359.db2.gz BDPUUEXRIUXLKW-HNNXBMFYSA-N 1 1 331.416 0.787 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001267728488 838410365 /nfs/dbraw/zinc/41/03/65/838410365.db2.gz BDPUUEXRIUXLKW-HNNXBMFYSA-N 1 1 331.416 0.787 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H](O)COC)C2)cc1 ZINC001267731154 838418143 /nfs/dbraw/zinc/41/81/43/838418143.db2.gz QMELYHCXVPECBB-HOTGVXAUSA-N 1 1 332.400 0.510 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC001267733541 838426134 /nfs/dbraw/zinc/42/61/34/838426134.db2.gz SJVDDQBRJGNAQU-ZBFHGGJFSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001267750836 838471903 /nfs/dbraw/zinc/47/19/03/838471903.db2.gz OHNPXWLHGWQNPL-VXGBXAGGSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001267750836 838471907 /nfs/dbraw/zinc/47/19/07/838471907.db2.gz OHNPXWLHGWQNPL-VXGBXAGGSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CCC[N@H+](C)CC1CCN(C(=O)Cc2nc3ncccn3n2)CC1 ZINC001267758024 838484345 /nfs/dbraw/zinc/48/43/45/838484345.db2.gz HVIPJDLISWIEKA-UHFFFAOYSA-N 1 1 340.431 0.861 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001267761412 838488862 /nfs/dbraw/zinc/48/88/62/838488862.db2.gz HLZXAUJRFPJHHQ-CQSZACIVSA-N 1 1 348.447 0.509 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)N(C)C)C1)OCC ZINC001267763146 838494262 /nfs/dbraw/zinc/49/42/62/838494262.db2.gz KQRRPTPZCNWOTB-LSDHHAIUSA-N 1 1 325.453 0.979 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)OCC ZINC001267763146 838494263 /nfs/dbraw/zinc/49/42/63/838494263.db2.gz KQRRPTPZCNWOTB-LSDHHAIUSA-N 1 1 325.453 0.979 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001267767220 838503147 /nfs/dbraw/zinc/50/31/47/838503147.db2.gz NGDBJLOYMKMENS-HOTGVXAUSA-N 1 1 330.432 0.628 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cnn(C)c2C)C1 ZINC001267767967 838505579 /nfs/dbraw/zinc/50/55/79/838505579.db2.gz REUFUYCQTTZJKW-GOEBONIOSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2cnn(C)c2C)C1 ZINC001267767967 838505582 /nfs/dbraw/zinc/50/55/82/838505582.db2.gz REUFUYCQTTZJKW-GOEBONIOSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cc2csc(C)n2)C1 ZINC001267777246 838542641 /nfs/dbraw/zinc/54/26/41/838542641.db2.gz LTJACOJVZRCPMX-AWEZNQCLSA-N 1 1 336.461 0.829 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2csc(C)n2)C1 ZINC001267777246 838542652 /nfs/dbraw/zinc/54/26/52/838542652.db2.gz LTJACOJVZRCPMX-AWEZNQCLSA-N 1 1 336.461 0.829 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccn2CC)C1 ZINC001267778169 838544993 /nfs/dbraw/zinc/54/49/93/838544993.db2.gz WCJUFWJYAGIMLP-GJZGRUSLSA-N 1 1 330.432 0.792 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cccn2CC)C1 ZINC001267778169 838544997 /nfs/dbraw/zinc/54/49/97/838544997.db2.gz WCJUFWJYAGIMLP-GJZGRUSLSA-N 1 1 330.432 0.792 20 30 ECEDMO CCOCCO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267779729 838550895 /nfs/dbraw/zinc/55/08/95/838550895.db2.gz UQFWNRZBSHCAHA-JKSUJKDBSA-N 1 1 326.437 0.611 20 30 ECEDMO CCOCCO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267779729 838550901 /nfs/dbraw/zinc/55/09/01/838550901.db2.gz UQFWNRZBSHCAHA-JKSUJKDBSA-N 1 1 326.437 0.611 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CCc2cn[nH]c2)C1 ZINC001267788875 838568651 /nfs/dbraw/zinc/56/86/51/838568651.db2.gz AQXAEKYEGZFSOE-OAHLLOKOSA-N 1 1 331.420 0.015 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2cn[nH]c2)C1 ZINC001267788875 838568657 /nfs/dbraw/zinc/56/86/57/838568657.db2.gz AQXAEKYEGZFSOE-OAHLLOKOSA-N 1 1 331.420 0.015 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CCCN2C)CCCC1 ZINC001267834595 838628025 /nfs/dbraw/zinc/62/80/25/838628025.db2.gz WTJXDAIKDOJVMX-LSDHHAIUSA-N 1 1 334.464 0.237 20 30 ECEDMO C[C@H]1CCCC[C@]1(C[NH2+]Cc1nnnn1C)NC(=O)C#CC1CC1 ZINC001267866739 838666210 /nfs/dbraw/zinc/66/62/10/838666210.db2.gz ODXGODBEACOUAP-SUMWQHHRSA-N 1 1 330.436 0.778 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@]1(NC(=O)CN2CCCC2)CCCC[C@H]1C ZINC001267872688 838668461 /nfs/dbraw/zinc/66/84/61/838668461.db2.gz PSYGAGXCIWXVCQ-APWZRJJASA-N 1 1 348.491 0.486 20 30 ECEDMO C=CCOCC(=O)N1CC(n2cc(C[NH2+]CCOCC3CC3)nn2)C1 ZINC001105191726 838742936 /nfs/dbraw/zinc/74/29/36/838742936.db2.gz CCJPEVKQHKZGRJ-UHFFFAOYSA-N 1 1 349.435 0.380 20 30 ECEDMO CC(C)[C@@H](CNC(=O)CC[NH+]1CCOCC1)Nc1ccc(C#N)nn1 ZINC001105199643 838757741 /nfs/dbraw/zinc/75/77/41/838757741.db2.gz YWMWSDINBUNXCN-OAHLLOKOSA-N 1 1 346.435 0.623 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001267919493 838793718 /nfs/dbraw/zinc/79/37/18/838793718.db2.gz HCBDNFPOTNEHEQ-QWHCGFSZSA-N 1 1 330.388 0.119 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001267919493 838793722 /nfs/dbraw/zinc/79/37/22/838793722.db2.gz HCBDNFPOTNEHEQ-QWHCGFSZSA-N 1 1 330.388 0.119 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)c1cccn1C)CC2 ZINC001267972960 838906429 /nfs/dbraw/zinc/90/64/29/838906429.db2.gz XVZGUUFFWGEJBS-UHFFFAOYSA-N 1 1 342.443 0.703 20 30 ECEDMO O=C(C#CC1CC1)NC[C@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)CCO1 ZINC001268021726 838998891 /nfs/dbraw/zinc/99/88/91/838998891.db2.gz JDGBQDRHZOYVMM-CVEARBPZSA-N 1 1 333.432 0.133 20 30 ECEDMO O=C(C#CC1CC1)NC[C@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)CCO1 ZINC001268021726 838998896 /nfs/dbraw/zinc/99/88/96/838998896.db2.gz JDGBQDRHZOYVMM-CVEARBPZSA-N 1 1 333.432 0.133 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)Cn2nnnc2C(C)C)C1 ZINC001268027090 839033643 /nfs/dbraw/zinc/03/36/43/839033643.db2.gz RSVJFOXXPLHCND-CQSZACIVSA-N 1 1 336.440 0.580 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1coc(C)n1)CC2 ZINC001268043355 839192197 /nfs/dbraw/zinc/19/21/97/839192197.db2.gz HRNFEJHYLOCCQS-UHFFFAOYSA-N 1 1 330.388 0.270 20 30 ECEDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000177908453 529384505 /nfs/dbraw/zinc/38/45/05/529384505.db2.gz WGRABJDPOXPOIK-OAHLLOKOSA-N 1 1 330.388 0.412 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1Cc1c[nH+]c(N(C)C)n1C ZINC000425336010 210045759 /nfs/dbraw/zinc/04/57/59/210045759.db2.gz KCZIVWMWJFXFNF-ZDUSSCGKSA-N 1 1 340.435 0.858 20 30 ECEDMO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000236595980 242292182 /nfs/dbraw/zinc/29/21/82/242292182.db2.gz ZTCOPLHURHHYGB-UHFFFAOYSA-N 1 1 330.207 0.915 20 30 ECEDMO COC(=O)[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)CC[N@@H+](C)C1 ZINC000411902050 284114669 /nfs/dbraw/zinc/11/46/69/284114669.db2.gz HQOFGMXOHWHUAZ-CQSZACIVSA-N 1 1 336.436 0.366 20 30 ECEDMO N#Cc1cccnc1N1CCC[N@H+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000111685048 220180960 /nfs/dbraw/zinc/18/09/60/220180960.db2.gz CPLFHSLUOWXZRP-INIZCTEOSA-N 1 1 343.431 0.449 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC001041676761 781969947 /nfs/dbraw/zinc/96/99/47/781969947.db2.gz ZMDONJUVFMBYKE-FRQCXROJSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000267389423 251012571 /nfs/dbraw/zinc/01/25/71/251012571.db2.gz OKGPOWBARMAHMD-ZIAGYGMSSA-N 1 1 349.435 0.423 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000267389423 251012575 /nfs/dbraw/zinc/01/25/75/251012575.db2.gz OKGPOWBARMAHMD-ZIAGYGMSSA-N 1 1 349.435 0.423 20 30 ECEDMO COC(=O)[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267643460 251219301 /nfs/dbraw/zinc/21/93/01/251219301.db2.gz WCOLLJDGFYNIFA-SJORKVTESA-N 1 1 347.415 0.397 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@]3(CCO[C@H]3C)C2)C1 ZINC000329934561 285057079 /nfs/dbraw/zinc/05/70/79/285057079.db2.gz JWRCQGOAGPWEMH-OFQRWUPVSA-N 1 1 327.425 0.501 20 30 ECEDMO C#CCOc1ccccc1CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000287493819 254567644 /nfs/dbraw/zinc/56/76/44/254567644.db2.gz HFBNEVMZGDJPKS-HNNXBMFYSA-N 1 1 331.416 0.907 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000328843505 254593375 /nfs/dbraw/zinc/59/33/75/254593375.db2.gz UWZZHCZMVOBLQX-OLZOCXBDSA-N 1 1 332.470 0.384 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@H](C)c2ncnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000329943068 254622685 /nfs/dbraw/zinc/62/26/85/254622685.db2.gz VXDYNOIQWMHMFM-MGPQQGTHSA-N 1 1 336.440 0.833 20 30 ECEDMO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCCSCC#N)C[C@@H]1O ZINC000347071414 254700022 /nfs/dbraw/zinc/70/00/22/254700022.db2.gz BGHZXQSVGWENFL-KBPBESRZSA-N 1 1 343.493 0.952 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](O)[C@H](OC)C2)c(OC)c1 ZINC000451747049 254806060 /nfs/dbraw/zinc/80/60/60/254806060.db2.gz FAPLPRNCDQBLOF-HDMKZQKVSA-N 1 1 337.416 0.855 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496311401 255090175 /nfs/dbraw/zinc/09/01/75/255090175.db2.gz RSWQKMMTMXCVPU-STQMWFEESA-N 1 1 342.440 0.564 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3nnc4c3CCCC4)C2)C1 ZINC001041685090 781990869 /nfs/dbraw/zinc/99/08/69/781990869.db2.gz FSFHNFXVOMANRA-SFHVURJKSA-N 1 1 327.432 0.715 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)N(S(C)(=O)=O)C1 ZINC000329844948 286102802 /nfs/dbraw/zinc/10/28/02/286102802.db2.gz LPACPIKXCSFOSL-MHDGFBEUSA-N 1 1 345.465 0.617 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(C#N)cn2)CC1 ZINC000107449278 296636604 /nfs/dbraw/zinc/63/66/04/296636604.db2.gz RFCMCSUJQYDVOY-OAHLLOKOSA-N 1 1 327.388 0.332 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC001041704215 782022674 /nfs/dbraw/zinc/02/26/74/782022674.db2.gz RCAUYRAXUIHHDU-RHSMWYFYSA-N 1 1 328.420 0.183 20 30 ECEDMO CCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000282615973 264053673 /nfs/dbraw/zinc/05/36/73/264053673.db2.gz ZJFXNGVFVXVLFI-GOEBONIOSA-N 1 1 345.399 0.767 20 30 ECEDMO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CC(C)(C)O1 ZINC000284625284 264235533 /nfs/dbraw/zinc/23/55/33/264235533.db2.gz UFXZQXGAJZPOMK-INIZCTEOSA-N 1 1 348.447 0.981 20 30 ECEDMO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC(C)(C)O1 ZINC000284625284 264235535 /nfs/dbraw/zinc/23/55/35/264235535.db2.gz UFXZQXGAJZPOMK-INIZCTEOSA-N 1 1 348.447 0.981 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285089278 264277654 /nfs/dbraw/zinc/27/76/54/264277654.db2.gz PMYIFUIWFIQDHW-HUUCEWRRSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285089278 264277655 /nfs/dbraw/zinc/27/76/55/264277655.db2.gz PMYIFUIWFIQDHW-HUUCEWRRSA-N 1 1 335.429 0.960 20 30 ECEDMO C[N@@H+]1CCN(c2nccc(C#N)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000497167990 270007882 /nfs/dbraw/zinc/00/78/82/270007882.db2.gz XOAFIPHKPZMPRV-ZDUSSCGKSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2nccc(C#N)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000497167990 270007883 /nfs/dbraw/zinc/00/78/83/270007883.db2.gz XOAFIPHKPZMPRV-ZDUSSCGKSA-N 1 1 332.408 0.993 20 30 ECEDMO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccnc3C#N)[C@H]2C1 ZINC000292748337 266156502 /nfs/dbraw/zinc/15/65/02/266156502.db2.gz HWCZYSIOLUFVMS-UONOGXRCSA-N 1 1 336.417 0.437 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccnc3C#N)[C@H]2C1 ZINC000292748337 266156504 /nfs/dbraw/zinc/15/65/04/266156504.db2.gz HWCZYSIOLUFVMS-UONOGXRCSA-N 1 1 336.417 0.437 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(c2cc(S(N)(=O)=O)ccc2C#N)CC1 ZINC000367824229 267164283 /nfs/dbraw/zinc/16/42/83/267164283.db2.gz GDYCAFVZOHSGQB-GFCCVEGCSA-N 1 1 338.433 0.099 20 30 ECEDMO N#Cc1ccc(F)c(CS(=O)(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000333168808 268104341 /nfs/dbraw/zinc/10/43/41/268104341.db2.gz JVLMMMDODVXWCL-UHFFFAOYSA-N 1 1 341.408 0.839 20 30 ECEDMO N#Cc1ccc(F)c(CS(=O)(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000333168808 268104343 /nfs/dbraw/zinc/10/43/43/268104343.db2.gz JVLMMMDODVXWCL-UHFFFAOYSA-N 1 1 341.408 0.839 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)cc1 ZINC000289458600 268178452 /nfs/dbraw/zinc/17/84/52/268178452.db2.gz PWXXBDNNNYQEOZ-UONOGXRCSA-N 1 1 343.387 0.589 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H]([NH+]3CCCC3)C2)nc1 ZINC000368009626 268188407 /nfs/dbraw/zinc/18/84/07/268188407.db2.gz XITGNAYCEVIWCJ-OAHLLOKOSA-N 1 1 334.445 0.897 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000344448252 268200718 /nfs/dbraw/zinc/20/07/18/268200718.db2.gz UJBBNCXCNBSMRC-LLVKDONJSA-N 1 1 340.405 0.017 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000369811020 268249971 /nfs/dbraw/zinc/24/99/71/268249971.db2.gz OGROAGSVIBEUBC-GOSISDBHSA-N 1 1 342.443 0.971 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000357918620 268277987 /nfs/dbraw/zinc/27/79/87/268277987.db2.gz UMVSGKYQLVNNCU-ZDUSSCGKSA-N 1 1 336.417 0.640 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000528418874 268300604 /nfs/dbraw/zinc/30/06/04/268300604.db2.gz WLYZAVKHNISJON-UONOGXRCSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000357871780 268335979 /nfs/dbraw/zinc/33/59/79/268335979.db2.gz YGTVOPVZQIJPAS-UHFFFAOYSA-N 1 1 339.403 0.677 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001041716927 782044604 /nfs/dbraw/zinc/04/46/04/782044604.db2.gz HFADATJLCNXMCT-GUYCJALGSA-N 1 1 334.420 0.475 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)CC1 ZINC000491714129 275382406 /nfs/dbraw/zinc/38/24/06/275382406.db2.gz FMNYKUHDBJLNJJ-SJLPKXTDSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)CC1 ZINC000491714129 275382409 /nfs/dbraw/zinc/38/24/09/275382409.db2.gz FMNYKUHDBJLNJJ-SJLPKXTDSA-N 1 1 331.460 0.797 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000330214500 277102379 /nfs/dbraw/zinc/10/23/79/277102379.db2.gz LTNBRFFBHPYITF-FMKPAKJESA-N 1 1 342.509 0.791 20 30 ECEDMO COCC[NH+]1CCC(NC(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)CC1 ZINC000329613960 277219165 /nfs/dbraw/zinc/21/91/65/277219165.db2.gz OYYNNIGOQFXFSP-BETUJISGSA-N 1 1 347.481 0.519 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000340726017 277550279 /nfs/dbraw/zinc/55/02/79/277550279.db2.gz FJAABAZZOFHDSY-LBPRGKRZSA-N 1 1 347.419 0.392 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041720093 782051060 /nfs/dbraw/zinc/05/10/60/782051060.db2.gz KQURCNZSUCHCFN-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041720093 782051051 /nfs/dbraw/zinc/05/10/51/782051051.db2.gz KQURCNZSUCHCFN-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000328846353 278159544 /nfs/dbraw/zinc/15/95/44/278159544.db2.gz AKNTUIMLWYNQRF-SECBINFHSA-N 1 1 337.380 0.628 20 30 ECEDMO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]([NH+]3CCOCC3)[C@H]1C)CC2 ZINC000329634716 279142004 /nfs/dbraw/zinc/14/20/04/279142004.db2.gz XHKKITKFBJDWHJ-BPLDGKMQSA-N 1 1 348.451 0.610 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H](C(N)=O)C(C)(C)C)CC1 ZINC000330710710 288956768 /nfs/dbraw/zinc/95/67/68/288956768.db2.gz UHNWBSWASFENGN-CYBMUJFWSA-N 1 1 341.456 0.993 20 30 ECEDMO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CCCCS3(=O)=O)C2)C1 ZINC000330234322 290246278 /nfs/dbraw/zinc/24/62/78/290246278.db2.gz YIUADWLVWVXTOR-ZFWWWQNUSA-N 1 1 329.466 0.895 20 30 ECEDMO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@@H+]1CC(C)(C)O ZINC000349576386 297038348 /nfs/dbraw/zinc/03/83/48/297038348.db2.gz GCQROOHPKDYZRM-CYBMUJFWSA-N 1 1 329.466 0.787 20 30 ECEDMO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@H+]1CC(C)(C)O ZINC000349576386 297038351 /nfs/dbraw/zinc/03/83/51/297038351.db2.gz GCQROOHPKDYZRM-CYBMUJFWSA-N 1 1 329.466 0.787 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001077977945 782060256 /nfs/dbraw/zinc/06/02/56/782060256.db2.gz XGONQHBBMVUDNH-HUUCEWRRSA-N 1 1 331.420 0.428 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3nccs3)c2)C1 ZINC001077977892 782060285 /nfs/dbraw/zinc/06/02/85/782060285.db2.gz UISGDPOQXJRJEX-CHWSQXEVSA-N 1 1 331.401 0.127 20 30 ECEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1)C1CC1 ZINC000072563327 436049053 /nfs/dbraw/zinc/04/90/53/436049053.db2.gz FQFGXXHXCKBHDG-GOSISDBHSA-N 1 1 348.447 0.366 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000073243662 436072046 /nfs/dbraw/zinc/07/20/46/436072046.db2.gz IXIRTKQLDHFXMQ-QGZVFWFLSA-N 1 1 328.416 0.928 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000073243662 436072048 /nfs/dbraw/zinc/07/20/48/436072048.db2.gz IXIRTKQLDHFXMQ-QGZVFWFLSA-N 1 1 328.416 0.928 20 30 ECEDMO COCCNC(=O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000025815103 436155045 /nfs/dbraw/zinc/15/50/45/436155045.db2.gz BGKSEDIKYBXGCF-KRWDZBQOSA-N 1 1 336.436 0.269 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000032490098 436239912 /nfs/dbraw/zinc/23/99/12/436239912.db2.gz OYRMWFGESQXERW-HNNXBMFYSA-N 1 1 337.420 0.077 20 30 ECEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000077817047 436253888 /nfs/dbraw/zinc/25/38/88/436253888.db2.gz UXQQHAMWVFASEL-CYBMUJFWSA-N 1 1 330.388 0.963 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000081283310 436339819 /nfs/dbraw/zinc/33/98/19/436339819.db2.gz DOMUSVXLXCRKTH-OAHLLOKOSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000081283310 436339824 /nfs/dbraw/zinc/33/98/24/436339824.db2.gz DOMUSVXLXCRKTH-OAHLLOKOSA-N 1 1 329.404 0.323 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083245740 436370920 /nfs/dbraw/zinc/37/09/20/436370920.db2.gz KTOVNBKZXXREGQ-HLLBOEOZSA-N 1 1 340.468 0.054 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093260764 436483940 /nfs/dbraw/zinc/48/39/40/436483940.db2.gz AQAVSCRKDDCHTD-GFCCVEGCSA-N 1 1 330.388 0.162 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000052077375 436503345 /nfs/dbraw/zinc/50/33/45/436503345.db2.gz ANWHVUJTEWZONK-HNNXBMFYSA-N 1 1 335.429 0.901 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000052216000 436503855 /nfs/dbraw/zinc/50/38/55/436503855.db2.gz CHOMASWLSCZRCN-DYVFJYSZSA-N 1 1 335.452 0.919 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054887259 436560686 /nfs/dbraw/zinc/56/06/86/436560686.db2.gz PHUITNMRRXMNJI-GJZGRUSLSA-N 1 1 336.436 0.318 20 30 ECEDMO CCc1nn(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)c(C#N)c1CC ZINC000106363330 436593937 /nfs/dbraw/zinc/59/39/37/436593937.db2.gz CGPDCTHGBSKHFS-HZSPNIEDSA-N 1 1 348.447 0.710 20 30 ECEDMO CCc1nn(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)c(C#N)c1CC ZINC000106363330 436593939 /nfs/dbraw/zinc/59/39/39/436593939.db2.gz CGPDCTHGBSKHFS-HZSPNIEDSA-N 1 1 348.447 0.710 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C[C@H](C)O)C(C)C)CC2)o1 ZINC000107042391 436607253 /nfs/dbraw/zinc/60/72/53/436607253.db2.gz OKSUNHSWAGXQOC-ZDUSSCGKSA-N 1 1 349.435 0.595 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000057713595 436614749 /nfs/dbraw/zinc/61/47/49/436614749.db2.gz YZQNBAJMYJOLGW-ZDUSSCGKSA-N 1 1 349.456 0.811 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](O)CC3)CC2)o1 ZINC000550158744 302344022 /nfs/dbraw/zinc/34/40/22/302344022.db2.gz CWHPMESYLXFBIA-AWEZNQCLSA-N 1 1 347.419 0.350 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccccc2OCC(=O)N(C)C)CC1 ZINC000139276299 436663873 /nfs/dbraw/zinc/66/38/73/436663873.db2.gz TVBFMYBBPWPAIF-UHFFFAOYSA-N 1 1 343.427 0.935 20 30 ECEDMO Cn1c(=O)c(C#N)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(C)c1=O ZINC000269415620 436666448 /nfs/dbraw/zinc/66/64/48/436666448.db2.gz KKQKBIOUYLXAML-SWLSCSKDSA-N 1 1 343.431 0.409 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121700023 436721996 /nfs/dbraw/zinc/72/19/96/436721996.db2.gz QFOYBYLGYROXIA-UHFFFAOYSA-N 1 1 330.454 0.104 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000273076769 436733031 /nfs/dbraw/zinc/73/30/31/436733031.db2.gz KMRXWZVEEKVOJY-STQMWFEESA-N 1 1 325.409 0.862 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000122360799 436733823 /nfs/dbraw/zinc/73/38/23/436733823.db2.gz JHCULWODIGNPLX-HNNXBMFYSA-N 1 1 342.443 0.701 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124036431 436745691 /nfs/dbraw/zinc/74/56/91/436745691.db2.gz DZZQCGGINJSTMG-UHFFFAOYSA-N 1 1 326.441 0.288 20 30 ECEDMO C=CCNC(=O)NC(=O)CN(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000124036431 436745694 /nfs/dbraw/zinc/74/56/94/436745694.db2.gz DZZQCGGINJSTMG-UHFFFAOYSA-N 1 1 326.441 0.288 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)CC1 ZINC000068444196 436745958 /nfs/dbraw/zinc/74/59/58/436745958.db2.gz CSGRQPCIUMMQPY-UHFFFAOYSA-N 1 1 335.354 0.862 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245550268 436763625 /nfs/dbraw/zinc/76/36/25/436763625.db2.gz HIOPAMTWPJVBNK-JKSUJKDBSA-N 1 1 337.445 0.845 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245550268 436763628 /nfs/dbraw/zinc/76/36/28/436763628.db2.gz HIOPAMTWPJVBNK-JKSUJKDBSA-N 1 1 337.445 0.845 20 30 ECEDMO C=CCNC(=O)CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000274330915 436816229 /nfs/dbraw/zinc/81/62/29/436816229.db2.gz MWFXIMXHLDOWQV-GOSISDBHSA-N 1 1 342.399 0.485 20 30 ECEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C[C@@H](O)CN1CCOCC1 ZINC000156671172 436819567 /nfs/dbraw/zinc/81/95/67/436819567.db2.gz DFTSDBHKGRSZJU-QGZVFWFLSA-N 1 1 333.432 0.952 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000245920330 436770723 /nfs/dbraw/zinc/77/07/23/436770723.db2.gz XMSXDHASIIGYJY-LSDHHAIUSA-N 1 1 348.472 0.914 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cnc(C#N)c2C#N)C1 ZINC000126305203 436784892 /nfs/dbraw/zinc/78/48/92/436784892.db2.gz PPYFESQMROUBBN-ZDUSSCGKSA-N 1 1 330.392 0.099 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248559246 436803848 /nfs/dbraw/zinc/80/38/48/436803848.db2.gz IZQXBBWWEAOWAZ-DLBZAZTESA-N 1 1 333.432 0.989 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C[S@@](C)=O ZINC000293252651 436861344 /nfs/dbraw/zinc/86/13/44/436861344.db2.gz DMJDIECVPZDCOL-XMMPIXPASA-N 1 1 349.456 0.575 20 30 ECEDMO C#CCSCCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000130089031 436834407 /nfs/dbraw/zinc/83/44/07/436834407.db2.gz SASPSTKSFPZRTN-HUUCEWRRSA-N 1 1 337.489 0.802 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000293935688 436920741 /nfs/dbraw/zinc/92/07/41/436920741.db2.gz IIEVODWRUJAQEW-UHFFFAOYSA-N 1 1 344.440 0.757 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000293935688 436920743 /nfs/dbraw/zinc/92/07/43/436920743.db2.gz IIEVODWRUJAQEW-UHFFFAOYSA-N 1 1 344.440 0.757 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000293433474 436875898 /nfs/dbraw/zinc/87/58/98/436875898.db2.gz RAMHFNBCBFRRJF-UHFFFAOYSA-N 1 1 344.371 0.141 20 30 ECEDMO CC[NH+]=C(NCc1cn[nH]c1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261663324 436880375 /nfs/dbraw/zinc/88/03/75/436880375.db2.gz GCWHRAOGLZCUOG-UHFFFAOYSA-N 1 1 344.423 0.266 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000293698265 436901038 /nfs/dbraw/zinc/90/10/38/436901038.db2.gz CNPPYSIUNHUVGA-UHFFFAOYSA-N 1 1 342.392 0.846 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCN(Cc3nnc4n3CCOC4)CC2)cc1 ZINC000281383543 436964754 /nfs/dbraw/zinc/96/47/54/436964754.db2.gz UVCGSMQOKYCKFI-UHFFFAOYSA-N 1 1 338.415 0.998 20 30 ECEDMO C[C@H]1CCCN(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264129059 437016687 /nfs/dbraw/zinc/01/66/87/437016687.db2.gz XHBRJHJPEWGSGX-HNNXBMFYSA-N 1 1 331.468 0.645 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000171739464 436988562 /nfs/dbraw/zinc/98/85/62/436988562.db2.gz ZFHVWGNDXDXGEY-AWEZNQCLSA-N 1 1 329.466 0.855 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCC1(C(=O)OC)CCOCC1 ZINC000296822672 436998322 /nfs/dbraw/zinc/99/83/22/436998322.db2.gz XNDQGNWXCJUWGG-UHFFFAOYSA-N 1 1 325.409 0.211 20 30 ECEDMO CN(C)C(=O)C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000298468936 437040656 /nfs/dbraw/zinc/04/06/56/437040656.db2.gz OXLSAVMPDLHBBR-UHFFFAOYSA-N 1 1 328.416 0.975 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1=O ZINC000286393421 437089847 /nfs/dbraw/zinc/08/98/47/437089847.db2.gz ZBRJLGXBALMFDA-FUNVUKJBSA-N 1 1 348.403 0.047 20 30 ECEDMO C[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)[N@@H+](C)Cc1ccccc1 ZINC000264824701 437091616 /nfs/dbraw/zinc/09/16/16/437091616.db2.gz YFTQHXNDPZJXOZ-ZDUSSCGKSA-N 1 1 341.415 0.888 20 30 ECEDMO N#CCOc1cccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)c1 ZINC000264931890 437101320 /nfs/dbraw/zinc/10/13/20/437101320.db2.gz ZAUQPXRGFDRRNF-UHFFFAOYSA-N 1 1 348.428 0.692 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000305782783 437163776 /nfs/dbraw/zinc/16/37/76/437163776.db2.gz VQLSBEOPDVBPIX-LSDHHAIUSA-N 1 1 348.472 0.914 20 30 ECEDMO Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000328620754 437242365 /nfs/dbraw/zinc/24/23/65/437242365.db2.gz XDGJUBDBCVSJTJ-ZDUSSCGKSA-N 1 1 332.408 0.934 20 30 ECEDMO Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000328620754 437242369 /nfs/dbraw/zinc/24/23/69/437242369.db2.gz XDGJUBDBCVSJTJ-ZDUSSCGKSA-N 1 1 332.408 0.934 20 30 ECEDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000329059463 437311602 /nfs/dbraw/zinc/31/16/02/437311602.db2.gz JCOKBDBUVUDNOZ-HUUCEWRRSA-N 1 1 338.452 0.360 20 30 ECEDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000329059463 437311608 /nfs/dbraw/zinc/31/16/08/437311608.db2.gz JCOKBDBUVUDNOZ-HUUCEWRRSA-N 1 1 338.452 0.360 20 30 ECEDMO CCC[C@@H]1CN(C(=O)N[C@@H]2CC[S@](=O)C2)CC[N@@H+]1CCOC ZINC000329073993 437313236 /nfs/dbraw/zinc/31/32/36/437313236.db2.gz PCBFBLOLLXAFMJ-SOHPYSCWSA-N 1 1 331.482 0.854 20 30 ECEDMO CCC[C@@H]1CN(C(=O)N[C@@H]2CC[S@](=O)C2)CC[N@H+]1CCOC ZINC000329073993 437313241 /nfs/dbraw/zinc/31/32/41/437313241.db2.gz PCBFBLOLLXAFMJ-SOHPYSCWSA-N 1 1 331.482 0.854 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000336944840 437317084 /nfs/dbraw/zinc/31/70/84/437317084.db2.gz MTGMFUAZIPGWJR-JSGCOSHPSA-N 1 1 330.454 0.166 20 30 ECEDMO CN(C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCO1)c1nccn(C)c1=O ZINC000328855950 437273320 /nfs/dbraw/zinc/27/33/20/437273320.db2.gz UDIGCOQPSXCZCK-RRFJBIMHSA-N 1 1 331.420 0.610 20 30 ECEDMO CN(C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCO1)c1nccn(C)c1=O ZINC000328855950 437273325 /nfs/dbraw/zinc/27/33/25/437273325.db2.gz UDIGCOQPSXCZCK-RRFJBIMHSA-N 1 1 331.420 0.610 20 30 ECEDMO O=C(CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)N1CCc2ccccc2C1 ZINC000328987722 437299652 /nfs/dbraw/zinc/29/96/52/437299652.db2.gz RMEZAGFUJFGLCC-KRWDZBQOSA-N 1 1 342.443 0.918 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C ZINC000329005400 437300448 /nfs/dbraw/zinc/30/04/48/437300448.db2.gz YQDUDOYQHRFPBJ-HZSPNIEDSA-N 1 1 346.497 0.739 20 30 ECEDMO C[C@H](Cn1cncn1)NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000329249450 437341427 /nfs/dbraw/zinc/34/14/27/437341427.db2.gz ASFSNFMPLNRYKH-ZIAGYGMSSA-N 1 1 336.440 0.766 20 30 ECEDMO NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000329286139 437345835 /nfs/dbraw/zinc/34/58/35/437345835.db2.gz GTEIUVBWBWTUDZ-VIFPVBQESA-N 1 1 344.462 0.636 20 30 ECEDMO C[C@@H](CN1CCOCC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329503067 437376562 /nfs/dbraw/zinc/37/65/62/437376562.db2.gz AMDANNOHJBZKMD-ARFHVFGLSA-N 1 1 340.468 0.416 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCOCC3(CC3)C2)CC1 ZINC000329321140 437351941 /nfs/dbraw/zinc/35/19/41/437351941.db2.gz GQBDIIIUFMRIGG-UHFFFAOYSA-N 1 1 338.452 0.565 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000288776884 437354555 /nfs/dbraw/zinc/35/45/55/437354555.db2.gz KHACWNKWLOGDFV-UHFFFAOYSA-N 1 1 331.420 0.496 20 30 ECEDMO CN(CCCNC(=O)C(=O)Nc1cccc(C#N)c1)CC[NH+](C)C ZINC000288776884 437354559 /nfs/dbraw/zinc/35/45/59/437354559.db2.gz KHACWNKWLOGDFV-UHFFFAOYSA-N 1 1 331.420 0.496 20 30 ECEDMO CN1C(=O)NC2(CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)C1=O ZINC000329346871 437355435 /nfs/dbraw/zinc/35/54/35/437355435.db2.gz CHCWSMGXMLTCOK-OLZOCXBDSA-N 1 1 349.435 0.748 20 30 ECEDMO O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329413062 437366282 /nfs/dbraw/zinc/36/62/82/437366282.db2.gz CMAABNIBACYSGH-QLFBSQMISA-N 1 1 334.424 0.692 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)N(CCC#N)CCOC)CC1 ZINC000337066553 437326058 /nfs/dbraw/zinc/32/60/58/437326058.db2.gz KWBZALBGXNWCOH-UHFFFAOYSA-N 1 1 330.454 0.333 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000337088027 437329348 /nfs/dbraw/zinc/32/93/48/437329348.db2.gz GUFQMUKDSSCTCK-CQSZACIVSA-N 1 1 332.470 0.367 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000337096957 437330889 /nfs/dbraw/zinc/33/08/89/437330889.db2.gz ROYHVLOUNJHVMN-OAHLLOKOSA-N 1 1 346.497 0.899 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000337160916 437338522 /nfs/dbraw/zinc/33/85/22/437338522.db2.gz UBNQUMNPHPFULD-KBPBESRZSA-N 1 1 344.481 0.508 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000337160916 437338525 /nfs/dbraw/zinc/33/85/25/437338525.db2.gz UBNQUMNPHPFULD-KBPBESRZSA-N 1 1 344.481 0.508 20 30 ECEDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000337197387 437339352 /nfs/dbraw/zinc/33/93/52/437339352.db2.gz XBJMQSPLVNWNCJ-CYBMUJFWSA-N 1 1 330.454 0.167 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000337196954 437339787 /nfs/dbraw/zinc/33/97/87/437339787.db2.gz WRZKYHCBDXWJRG-LSDHHAIUSA-N 1 1 346.497 0.803 20 30 ECEDMO CC(C)[NH+]1CCC(O)(C[NH+]=C([O-])N[C@H]2CCc3ncnn3C2)CC1 ZINC000329914548 437431362 /nfs/dbraw/zinc/43/13/62/437431362.db2.gz CNODAKWCJXJPTJ-ZDUSSCGKSA-N 1 1 336.440 0.332 20 30 ECEDMO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000329914548 437431364 /nfs/dbraw/zinc/43/13/64/437431364.db2.gz CNODAKWCJXJPTJ-ZDUSSCGKSA-N 1 1 336.440 0.332 20 30 ECEDMO CC(C)[NH+]1CCC(O)(C[NH+]=C([O-])N[C@@H]2CCc3ncnn3C2)CC1 ZINC000329914546 437431421 /nfs/dbraw/zinc/43/14/21/437431421.db2.gz CNODAKWCJXJPTJ-CYBMUJFWSA-N 1 1 336.440 0.332 20 30 ECEDMO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000329914546 437431423 /nfs/dbraw/zinc/43/14/23/437431423.db2.gz CNODAKWCJXJPTJ-CYBMUJFWSA-N 1 1 336.440 0.332 20 30 ECEDMO COC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC000329776331 437411725 /nfs/dbraw/zinc/41/17/25/437411725.db2.gz NZMQYQUZRCORAS-GJZGRUSLSA-N 1 1 329.441 0.604 20 30 ECEDMO C[C@@](O)(CNC(=O)NCC#Cc1cccc(F)c1)C[NH+]1CCOCC1 ZINC000338730731 437414867 /nfs/dbraw/zinc/41/48/67/437414867.db2.gz TYZCPQLSXFMIFO-GOSISDBHSA-N 1 1 349.406 0.560 20 30 ECEDMO C[C@@H]1OCC[C@@]12CN(C(=O)NCC[NH+]1CCSCC1)CCO2 ZINC000329896694 437427916 /nfs/dbraw/zinc/42/79/16/437427916.db2.gz COVGLXPQTOTVFV-DZGCQCFKSA-N 1 1 329.466 0.829 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](CCO)c2ccco2)CC1 ZINC000185129521 437427940 /nfs/dbraw/zinc/42/79/40/437427940.db2.gz ZGEADXASYBHVQA-CVEARBPZSA-N 1 1 348.447 0.985 20 30 ECEDMO CCNC(=O)N1CC[C@H](NC(=O)NCC[NH+]2CCSCC2)C1 ZINC000329905625 437429213 /nfs/dbraw/zinc/42/92/13/437429213.db2.gz AUVXVHLCIXYYES-LBPRGKRZSA-N 1 1 329.470 0.547 20 30 ECEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329516105 437378598 /nfs/dbraw/zinc/37/85/98/437378598.db2.gz OVVHQIUEBUTHIZ-CBBWQLFWSA-N 1 1 334.424 0.691 20 30 ECEDMO C[C@H](C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)N1CC[NH+](C)CC1 ZINC000329548873 437381375 /nfs/dbraw/zinc/38/13/75/437381375.db2.gz BIXJMFRMBTWMAG-CABCVRRESA-N 1 1 334.468 0.981 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279186532 437382701 /nfs/dbraw/zinc/38/27/01/437382701.db2.gz CEGYCAJCFKYFCH-DZKIICNBSA-N 1 1 335.427 0.402 20 30 ECEDMO [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329636208 437394460 /nfs/dbraw/zinc/39/44/60/437394460.db2.gz UXSWNWHJRNMLLO-ZIAGYGMSSA-N 1 1 333.436 0.835 20 30 ECEDMO C[C@@H](CN1CCCC1=O)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329632136 437395412 /nfs/dbraw/zinc/39/54/12/437395412.db2.gz WDTCJPSFAANHIT-RRFJBIMHSA-N 1 1 338.452 0.706 20 30 ECEDMO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000330230175 437471102 /nfs/dbraw/zinc/47/11/02/437471102.db2.gz WHXDBADABKSBKX-UXLLHSPISA-N 1 1 341.452 0.749 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000186522316 437474333 /nfs/dbraw/zinc/47/43/33/437474333.db2.gz PGGDXNHFVMBIBP-IRXDYDNUSA-N 1 1 331.416 0.978 20 30 ECEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000186522316 437474337 /nfs/dbraw/zinc/47/43/37/437474337.db2.gz PGGDXNHFVMBIBP-IRXDYDNUSA-N 1 1 331.416 0.978 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C1 ZINC000329969339 437439800 /nfs/dbraw/zinc/43/98/00/437439800.db2.gz UMPDYQSYHFUJAX-YOEHRIQHSA-N 1 1 341.452 0.891 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000330009129 437444492 /nfs/dbraw/zinc/44/44/92/437444492.db2.gz HCUYMCYRSFOSNS-GFCCVEGCSA-N 1 1 331.438 0.074 20 30 ECEDMO CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC000339155126 437445372 /nfs/dbraw/zinc/44/53/72/437445372.db2.gz OTEWORZKNXRNNW-KRWDZBQOSA-N 1 1 328.416 0.975 20 30 ECEDMO CC(=O)N1CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330048672 437449317 /nfs/dbraw/zinc/44/93/17/437449317.db2.gz ITQCRPOZIMGPIL-GJZGRUSLSA-N 1 1 339.484 0.337 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N(CCC#N)CCN1CCOCC1)C2 ZINC000290081562 437460431 /nfs/dbraw/zinc/46/04/31/437460431.db2.gz OUYFPBBSVRGHAU-INIZCTEOSA-N 1 1 345.447 0.828 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCC(=O)N2CCOCC2)C[C@H]1C ZINC000330160604 437461074 /nfs/dbraw/zinc/46/10/74/437461074.db2.gz SELHJVWIVCZCDU-CABCVRRESA-N 1 1 340.468 0.954 20 30 ECEDMO CC(C)CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@@H](C)C1=O ZINC000330186025 437465658 /nfs/dbraw/zinc/46/56/58/437465658.db2.gz JKUMYPPQZWVLFN-LSDHHAIUSA-N 1 1 339.484 0.335 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330374021 437493507 /nfs/dbraw/zinc/49/35/07/437493507.db2.gz MGRFJGPRZXIMGC-ZIAGYGMSSA-N 1 1 330.454 0.310 20 30 ECEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000330379533 437495910 /nfs/dbraw/zinc/49/59/10/437495910.db2.gz SZSUYWXWVHOADE-ZIAGYGMSSA-N 1 1 346.497 0.774 20 30 ECEDMO COCC[NH+]1CCC(NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000330426094 437508984 /nfs/dbraw/zinc/50/89/84/437508984.db2.gz SLMZGHGMRKDYNM-CYBMUJFWSA-N 1 1 333.454 0.130 20 30 ECEDMO C[C@H](O)C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000291286329 437577011 /nfs/dbraw/zinc/57/70/11/437577011.db2.gz QSZFSHORICDJDF-YOEHRIQHSA-N 1 1 348.422 0.847 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000360328079 437584148 /nfs/dbraw/zinc/58/41/48/437584148.db2.gz YFYOJEPFMAGICK-UHFFFAOYSA-N 1 1 335.452 0.421 20 30 ECEDMO CN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000340155140 437585350 /nfs/dbraw/zinc/58/53/50/437585350.db2.gz JCWXVPNVMZBECR-INIZCTEOSA-N 1 1 326.400 0.870 20 30 ECEDMO CN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340155141 437586798 /nfs/dbraw/zinc/58/67/98/437586798.db2.gz JCWXVPNVMZBECR-MRXNPFEDSA-N 1 1 326.400 0.870 20 30 ECEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)N1CCOCC1 ZINC000292233059 437672344 /nfs/dbraw/zinc/67/23/44/437672344.db2.gz IKOKYWVWBJXYFM-UHFFFAOYSA-N 1 1 330.388 0.677 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000343778396 437655856 /nfs/dbraw/zinc/65/58/56/437655856.db2.gz KKONWIFWUVFADQ-GFCCVEGCSA-N 1 1 333.436 0.532 20 30 ECEDMO C[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[N@H+](C2CCC2)C1 ZINC000292132847 437662425 /nfs/dbraw/zinc/66/24/25/437662425.db2.gz YCITVJFRDDGICY-CYBMUJFWSA-N 1 1 331.424 0.666 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330984509 437664206 /nfs/dbraw/zinc/66/42/06/437664206.db2.gz FRKJFRFQDRPDJW-MCIONIFRSA-N 1 1 341.456 0.551 20 30 ECEDMO CC(C)NC(=O)N1CCC[C@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000330993206 437665887 /nfs/dbraw/zinc/66/58/87/437665887.db2.gz LEAKYDBWCQQXLG-ZDUSSCGKSA-N 1 1 328.482 0.938 20 30 ECEDMO Cn1c(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(C#N)c(=O)n(C)c1=O ZINC000361809976 437690262 /nfs/dbraw/zinc/69/02/62/437690262.db2.gz BGMIVBABRWPQSL-KBPBESRZSA-N 1 1 347.419 0.011 20 30 ECEDMO COCC[NH+]1CCN(C(=O)NC[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000331075839 437683152 /nfs/dbraw/zinc/68/31/52/437683152.db2.gz WCWZHPOOYBRGCV-HNNXBMFYSA-N 1 1 326.441 0.423 20 30 ECEDMO C[N@@H+](CCO)C1CCN(C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000331100213 437686335 /nfs/dbraw/zinc/68/63/35/437686335.db2.gz BHBAWAJVBIWPEE-UHFFFAOYSA-N 1 1 342.484 0.400 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000340724137 437717941 /nfs/dbraw/zinc/71/79/41/437717941.db2.gz LDGKUXMPUFEFCA-ABAIWWIYSA-N 1 1 335.408 0.103 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)C1 ZINC000331226787 437722664 /nfs/dbraw/zinc/72/26/64/437722664.db2.gz FOQHQTNSUYYYDS-UONOGXRCSA-N 1 1 341.456 0.553 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)C1CC1 ZINC000363185431 437773609 /nfs/dbraw/zinc/77/36/09/437773609.db2.gz ZKGFABZCTZYMCI-RDTXWAMCSA-N 1 1 348.447 0.366 20 30 ECEDMO CC[C@]1(CO)CCCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000331277310 437732496 /nfs/dbraw/zinc/73/24/96/437732496.db2.gz YJHXDBVGWQNLOA-MRXNPFEDSA-N 1 1 326.441 0.301 20 30 ECEDMO CNC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1c1ccc(C(=O)NC)n1C ZINC000331359764 437744694 /nfs/dbraw/zinc/74/46/94/437744694.db2.gz WXKVFWHXEUCAOB-ZDUSSCGKSA-N 1 1 349.435 0.962 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000363545684 437798622 /nfs/dbraw/zinc/79/86/22/437798622.db2.gz NDAKLOKFGLXSHZ-OAHLLOKOSA-N 1 1 330.436 0.997 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000363545684 437798626 /nfs/dbraw/zinc/79/86/26/437798626.db2.gz NDAKLOKFGLXSHZ-OAHLLOKOSA-N 1 1 330.436 0.997 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000346528819 437813672 /nfs/dbraw/zinc/81/36/72/437813672.db2.gz AELNTWCQXRXIQB-XNISGKROSA-N 1 1 335.448 0.683 20 30 ECEDMO N#Cc1nc(N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1Cl ZINC000364320410 437815249 /nfs/dbraw/zinc/81/52/49/437815249.db2.gz JZATXZFKJAVASG-CYBMUJFWSA-N 1 1 335.839 1.425 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)c1cccnc1C#N ZINC000341615314 437872456 /nfs/dbraw/zinc/87/24/56/437872456.db2.gz BGMSMYVXLLJUDF-UHFFFAOYSA-N 1 1 339.465 0.457 20 30 ECEDMO CN(CCCN(C)S(=O)(=O)c1cccnc1C#N)CC[NH+](C)C ZINC000341615314 437872460 /nfs/dbraw/zinc/87/24/60/437872460.db2.gz BGMSMYVXLLJUDF-UHFFFAOYSA-N 1 1 339.465 0.457 20 30 ECEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CCC1 ZINC000347222762 437855759 /nfs/dbraw/zinc/85/57/59/437855759.db2.gz GJQCXXDRZYTGHC-JTQLQIEISA-N 1 1 332.326 0.549 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COc2cccnc2C#N)C1 ZINC000357109378 437915900 /nfs/dbraw/zinc/91/59/00/437915900.db2.gz WMSPGJUNCSANCZ-AWEZNQCLSA-N 1 1 332.404 0.805 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000341887596 437919342 /nfs/dbraw/zinc/91/93/42/437919342.db2.gz CKFLKROPFRUFIE-CQSZACIVSA-N 1 1 333.502 0.280 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000341887596 437919346 /nfs/dbraw/zinc/91/93/46/437919346.db2.gz CKFLKROPFRUFIE-CQSZACIVSA-N 1 1 333.502 0.280 20 30 ECEDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000356988405 437880635 /nfs/dbraw/zinc/88/06/35/437880635.db2.gz QRSUQQGHEGTAPN-HUUCEWRRSA-N 1 1 338.452 0.612 20 30 ECEDMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341819331 437902637 /nfs/dbraw/zinc/90/26/37/437902637.db2.gz RLRUHHUGVFXFOX-MRXNPFEDSA-N 1 1 345.399 0.953 20 30 ECEDMO COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341819331 437902643 /nfs/dbraw/zinc/90/26/43/437902643.db2.gz RLRUHHUGVFXFOX-MRXNPFEDSA-N 1 1 345.399 0.953 20 30 ECEDMO C=CCn1cc(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)nn1 ZINC000425524800 438026727 /nfs/dbraw/zinc/02/67/27/438026727.db2.gz GLKUAEOAHCPNRW-UHFFFAOYSA-N 1 1 335.456 0.289 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C)[C@@H](C#N)C3)C2)CC1 ZINC000372224070 438051003 /nfs/dbraw/zinc/05/10/03/438051003.db2.gz WDPICRVXKZJABI-HOCLYGCPSA-N 1 1 334.468 0.004 20 30 ECEDMO CN1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H]1C#N ZINC000372224070 438051005 /nfs/dbraw/zinc/05/10/05/438051005.db2.gz WDPICRVXKZJABI-HOCLYGCPSA-N 1 1 334.468 0.004 20 30 ECEDMO CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[C@@H]1C#N ZINC000372160836 438042882 /nfs/dbraw/zinc/04/28/82/438042882.db2.gz PVAUHMVKMYQUBX-HNNXBMFYSA-N 1 1 327.388 0.237 20 30 ECEDMO CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[C@@H]1C#N ZINC000372160836 438042885 /nfs/dbraw/zinc/04/28/85/438042885.db2.gz PVAUHMVKMYQUBX-HNNXBMFYSA-N 1 1 327.388 0.237 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC000342692584 438048782 /nfs/dbraw/zinc/04/87/82/438048782.db2.gz QQSIUVQHCZEGBY-UHFFFAOYSA-N 1 1 327.432 0.993 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(CC#N)CC2)CC1 ZINC000430158340 438108465 /nfs/dbraw/zinc/10/84/65/438108465.db2.gz USIIINKGROCRSE-UHFFFAOYSA-N 1 1 335.452 0.970 20 30 ECEDMO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000348947551 438118890 /nfs/dbraw/zinc/11/88/90/438118890.db2.gz JKKISPSIUVISBE-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)nn1CCC#N ZINC000349289137 438145834 /nfs/dbraw/zinc/14/58/34/438145834.db2.gz YUBHSRBZPZVMPN-AWEZNQCLSA-N 1 1 346.435 0.842 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)nn1CCC#N ZINC000349289137 438145838 /nfs/dbraw/zinc/14/58/38/438145838.db2.gz YUBHSRBZPZVMPN-AWEZNQCLSA-N 1 1 346.435 0.842 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358204122 438180405 /nfs/dbraw/zinc/18/04/05/438180405.db2.gz FMUAKBBQAUZHPO-NFAWXSAZSA-N 1 1 344.481 0.430 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358204122 438180410 /nfs/dbraw/zinc/18/04/10/438180410.db2.gz FMUAKBBQAUZHPO-NFAWXSAZSA-N 1 1 344.481 0.430 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](OC)C[C@@H]1CC(=O)OCC ZINC000373568959 438160294 /nfs/dbraw/zinc/16/02/94/438160294.db2.gz SIYMILCXPYYSHR-NEPJUHHUSA-N 1 1 327.381 0.041 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](OC)C[C@@H]1CC(=O)OCC ZINC000373568959 438160295 /nfs/dbraw/zinc/16/02/95/438160295.db2.gz SIYMILCXPYYSHR-NEPJUHHUSA-N 1 1 327.381 0.041 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC(=O)NCC#N ZINC000358310150 438196864 /nfs/dbraw/zinc/19/68/64/438196864.db2.gz JBJJBQSBXONWHO-HUUCEWRRSA-N 1 1 343.431 0.931 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CC23CCN(C(=O)C(C)(C)C#N)CC3)CC1 ZINC000375851287 438264073 /nfs/dbraw/zinc/26/40/73/438264073.db2.gz UIKCHLAWNHCYIB-AWEZNQCLSA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@@H]1C[N@@H+](CCOC2CCN(CC(=O)NCC#N)CC2)C[C@H](C)O1 ZINC000358872033 438320286 /nfs/dbraw/zinc/32/02/86/438320286.db2.gz LPMZIMNLBJCDBC-GASCZTMLSA-N 1 1 338.452 0.216 20 30 ECEDMO C[C@@H]1C[N@H+](CCOC2CCN(CC(=O)NCC#N)CC2)C[C@H](C)O1 ZINC000358872033 438320290 /nfs/dbraw/zinc/32/02/90/438320290.db2.gz LPMZIMNLBJCDBC-GASCZTMLSA-N 1 1 338.452 0.216 20 30 ECEDMO C[C@H]1CCN(C(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000377014217 438298082 /nfs/dbraw/zinc/29/80/82/438298082.db2.gz LFDGNRRSBBTMTC-HNNXBMFYSA-N 1 1 343.431 0.932 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000368619487 438353582 /nfs/dbraw/zinc/35/35/82/438353582.db2.gz PJWKKKLONZASRF-KBPBESRZSA-N 1 1 347.423 0.092 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(C)=O ZINC000368670784 438363778 /nfs/dbraw/zinc/36/37/78/438363778.db2.gz FRHRCWXPZITQKE-NWANDNLSSA-N 1 1 336.436 0.862 20 30 ECEDMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3cc(C#N)c[nH]3)cn2)CC1 ZINC000359201107 438377017 /nfs/dbraw/zinc/37/70/17/438377017.db2.gz TWAHHIOUWZTDJY-UHFFFAOYSA-N 1 1 341.375 0.109 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000369221959 438440752 /nfs/dbraw/zinc/44/07/52/438440752.db2.gz YZJWPNNAODMHQD-DLBZAZTESA-N 1 1 349.479 0.725 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N1CCO[C@H](C#N)C1 ZINC000369403997 438468931 /nfs/dbraw/zinc/46/89/31/438468931.db2.gz XWSZQJZZOXJTMJ-QXSJWSMHSA-N 1 1 336.436 0.810 20 30 ECEDMO COC(=O)[C@]12C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1COCC2 ZINC000369557294 438490410 /nfs/dbraw/zinc/49/04/10/438490410.db2.gz UNDATXSOMAPTGB-WMLDXEAASA-N 1 1 348.403 0.154 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N1CCN(C)[C@H](C#N)C1 ZINC000369588972 438493863 /nfs/dbraw/zinc/49/38/63/438493863.db2.gz UBWPNYSDMPPMTP-NCOADZHNSA-N 1 1 349.479 0.725 20 30 ECEDMO CNC(=O)CN1CCC[N@@H+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000369584461 438493974 /nfs/dbraw/zinc/49/39/74/438493974.db2.gz NHRVQBNKOKDQFN-UHFFFAOYSA-N 1 1 346.431 0.699 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352675046 438460209 /nfs/dbraw/zinc/46/02/09/438460209.db2.gz CUPRLGSINMOLSN-DCAQKATOSA-N 1 1 337.342 0.879 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352675046 438460212 /nfs/dbraw/zinc/46/02/12/438460212.db2.gz CUPRLGSINMOLSN-DCAQKATOSA-N 1 1 337.342 0.879 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000369867798 438522078 /nfs/dbraw/zinc/52/20/78/438522078.db2.gz MFEZUGJDDQTBAU-CHWSQXEVSA-N 1 1 332.495 0.446 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C#N)s2)CC[N@@H+](C)C1 ZINC000422227395 438535213 /nfs/dbraw/zinc/53/52/13/438535213.db2.gz GGLBVUIEYMTGPX-NSHDSACASA-N 1 1 336.417 0.866 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000441013227 438574332 /nfs/dbraw/zinc/57/43/32/438574332.db2.gz UBHSHTUJTWWTMI-OCCSQVGLSA-N 1 1 346.435 1.073 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCO)CCNC(=O)OC(C)(C)C)C1=O ZINC000493116246 438605945 /nfs/dbraw/zinc/60/59/45/438605945.db2.gz VIPSGTDQYCZNLA-CYBMUJFWSA-N 1 1 327.425 0.592 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)CCNC(=O)OC(C)(C)C)C1=O ZINC000493116246 438605948 /nfs/dbraw/zinc/60/59/48/438605948.db2.gz VIPSGTDQYCZNLA-CYBMUJFWSA-N 1 1 327.425 0.592 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410909273 438667621 /nfs/dbraw/zinc/66/76/21/438667621.db2.gz KXUBRZPUQWNNRQ-INIZCTEOSA-N 1 1 337.464 0.838 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412055192 438685237 /nfs/dbraw/zinc/68/52/37/438685237.db2.gz KQYUCRUUZUTTCS-UONOGXRCSA-N 1 1 336.436 0.864 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412117293 438685894 /nfs/dbraw/zinc/68/58/94/438685894.db2.gz ZAJYMUTXFBDWFU-HNCZQISISA-N 1 1 337.464 0.981 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412117293 438685896 /nfs/dbraw/zinc/68/58/96/438685896.db2.gz ZAJYMUTXFBDWFU-HNCZQISISA-N 1 1 337.464 0.981 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000453805920 438696651 /nfs/dbraw/zinc/69/66/51/438696651.db2.gz MNQZHIVXRNGHNA-HNNXBMFYSA-N 1 1 344.415 0.768 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1C#N ZINC000453943320 438702564 /nfs/dbraw/zinc/70/25/64/438702564.db2.gz UFOKGJCXEFSKPP-OKILXGFUSA-N 1 1 344.415 0.719 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1C#N ZINC000453943320 438702567 /nfs/dbraw/zinc/70/25/67/438702567.db2.gz UFOKGJCXEFSKPP-OKILXGFUSA-N 1 1 344.415 0.719 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000451664910 438705464 /nfs/dbraw/zinc/70/54/64/438705464.db2.gz CTOPKCRXLCKZET-KBPBESRZSA-N 1 1 332.470 0.149 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC001041730480 782071519 /nfs/dbraw/zinc/07/15/19/782071519.db2.gz QDTXVWFVJSTVBC-KRWDZBQOSA-N 1 1 330.436 0.744 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457142000 438797809 /nfs/dbraw/zinc/79/78/09/438797809.db2.gz YUZQLMYXJHNRSM-ZDUSSCGKSA-N 1 1 333.388 0.471 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457142000 438797810 /nfs/dbraw/zinc/79/78/10/438797810.db2.gz YUZQLMYXJHNRSM-ZDUSSCGKSA-N 1 1 333.388 0.471 20 30 ECEDMO C[N@@H+]1CC=C(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000576437165 438783105 /nfs/dbraw/zinc/78/31/05/438783105.db2.gz KRBLDZPPNHEDSV-UHFFFAOYSA-N 1 1 348.428 0.215 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n(CCC#N)n1 ZINC000556681453 438785532 /nfs/dbraw/zinc/78/55/32/438785532.db2.gz DHKQGHWROBDUNU-BETUJISGSA-N 1 1 332.408 0.595 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)n(CCC#N)n1 ZINC000556681453 438785534 /nfs/dbraw/zinc/78/55/34/438785534.db2.gz DHKQGHWROBDUNU-BETUJISGSA-N 1 1 332.408 0.595 20 30 ECEDMO COC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(C#N)n1 ZINC000576549367 438787934 /nfs/dbraw/zinc/78/79/34/438787934.db2.gz COIZHDVVYNWDTG-ZDUSSCGKSA-N 1 1 330.388 0.898 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2(C#N)CCCC2)CC1=O ZINC000588878898 438845659 /nfs/dbraw/zinc/84/56/59/438845659.db2.gz BEFLLCDGVBTPSG-AWEZNQCLSA-N 1 1 336.436 0.366 20 30 ECEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863650 438846605 /nfs/dbraw/zinc/84/66/05/438846605.db2.gz SKYAQGKBJHVVHP-CWRNSKLLSA-N 1 1 329.400 0.993 20 30 ECEDMO COC(=O)[C@](C)(O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000588964531 438851444 /nfs/dbraw/zinc/85/14/44/438851444.db2.gz YXZHHWNEKBSCIZ-DOTOQJQBSA-N 1 1 335.379 0.932 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000578079723 438895011 /nfs/dbraw/zinc/89/50/11/438895011.db2.gz BGTGNNITJQJCLQ-SFHVURJKSA-N 1 1 342.443 0.971 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000578079723 438895015 /nfs/dbraw/zinc/89/50/15/438895015.db2.gz BGTGNNITJQJCLQ-SFHVURJKSA-N 1 1 342.443 0.971 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000563141623 438860814 /nfs/dbraw/zinc/86/08/14/438860814.db2.gz LPVPNROENHPYMT-SFHVURJKSA-N 1 1 347.459 0.929 20 30 ECEDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccccc1CC#N ZINC000601357169 438861796 /nfs/dbraw/zinc/86/17/96/438861796.db2.gz MQZWGAKVFGQKOV-UHFFFAOYSA-N 1 1 325.434 0.999 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cccc(C#N)n1 ZINC000589371703 438869907 /nfs/dbraw/zinc/86/99/07/438869907.db2.gz WFBZTDIHWFIUFZ-OAHLLOKOSA-N 1 1 329.404 0.626 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC[N@@H+]1CCO ZINC000589413805 438869995 /nfs/dbraw/zinc/86/99/95/438869995.db2.gz DVLRAFLUPGXGJR-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC[N@H+]1CCO ZINC000589413805 438869997 /nfs/dbraw/zinc/86/99/97/438869997.db2.gz DVLRAFLUPGXGJR-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000577779007 438871770 /nfs/dbraw/zinc/87/17/70/438871770.db2.gz WCXZHGSMKJBJCY-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO N#CCC(=O)N1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000564734392 438875614 /nfs/dbraw/zinc/87/56/14/438875614.db2.gz DTTPCMIDPLOTDI-UHFFFAOYSA-N 1 1 343.387 0.172 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N2CC(C[NH+]3CCOCC3)C2)cc1 ZINC000590558489 438933062 /nfs/dbraw/zinc/93/30/62/438933062.db2.gz QLSFQOWMEXJYBL-UHFFFAOYSA-N 1 1 342.399 0.079 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC[N@H+]1C ZINC000601727650 438961122 /nfs/dbraw/zinc/96/11/22/438961122.db2.gz HDMQEGMAXDWREL-WCQYABFASA-N 1 1 332.408 0.787 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459523374 438971138 /nfs/dbraw/zinc/97/11/38/438971138.db2.gz IYKMJJWGWDYAAJ-BQFCYCMXSA-N 1 1 346.427 0.744 20 30 ECEDMO C[N@@H+](C[C@@H](O)CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000566123390 439010769 /nfs/dbraw/zinc/01/07/69/439010769.db2.gz IVRCLNNEGNFDOZ-ROUUACIJSA-N 1 1 342.443 0.704 20 30 ECEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602243574 439045497 /nfs/dbraw/zinc/04/54/97/439045497.db2.gz KZIHXMNQVFDUJV-MRXNPFEDSA-N 1 1 349.479 0.425 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000597627007 439143249 /nfs/dbraw/zinc/14/32/49/439143249.db2.gz WOTDHFCUCJMMSS-QGZVFWFLSA-N 1 1 327.432 0.744 20 30 ECEDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000592195387 439175465 /nfs/dbraw/zinc/17/54/65/439175465.db2.gz KADOAPMCSVDWDU-KBPBESRZSA-N 1 1 331.372 0.743 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N)c(=O)n2C ZINC000602979227 439176045 /nfs/dbraw/zinc/17/60/45/439176045.db2.gz BFBRMPQXBVRGAY-QWHCGFSZSA-N 1 1 344.419 0.448 20 30 ECEDMO CN1CCN(C(=O)C[N@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000602989680 439177399 /nfs/dbraw/zinc/17/73/99/439177399.db2.gz YYTLNGYDGAAWQG-MRXNPFEDSA-N 1 1 346.431 0.004 20 30 ECEDMO CN1CCN(C(=O)C[N@@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000602989680 439177403 /nfs/dbraw/zinc/17/74/03/439177403.db2.gz YYTLNGYDGAAWQG-MRXNPFEDSA-N 1 1 346.431 0.004 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000592209029 439182873 /nfs/dbraw/zinc/18/28/73/439182873.db2.gz QGMLHOXOCOIDPI-MCIONIFRSA-N 1 1 337.420 0.573 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000592209029 439182879 /nfs/dbraw/zinc/18/28/79/439182879.db2.gz QGMLHOXOCOIDPI-MCIONIFRSA-N 1 1 337.420 0.573 20 30 ECEDMO N#CCc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000592331826 439206334 /nfs/dbraw/zinc/20/63/34/439206334.db2.gz AHIQIVQMJPRRAY-OAHLLOKOSA-N 1 1 326.400 0.722 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)Cn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000603208000 439210208 /nfs/dbraw/zinc/21/02/08/439210208.db2.gz HHAHZEGBNIHWST-DZGCQCFKSA-N 1 1 334.424 0.243 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)Cn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000603208000 439210214 /nfs/dbraw/zinc/21/02/14/439210214.db2.gz HHAHZEGBNIHWST-DZGCQCFKSA-N 1 1 334.424 0.243 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000603658459 439275934 /nfs/dbraw/zinc/27/59/34/439275934.db2.gz PHLNOCGAMBBJKG-AWEZNQCLSA-N 1 1 330.454 0.263 20 30 ECEDMO CN1CC[NH+](CCCCNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000603631505 439276593 /nfs/dbraw/zinc/27/65/93/439276593.db2.gz HPUFJYNDELUINM-UHFFFAOYSA-N 1 1 336.461 0.864 20 30 ECEDMO CN(C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO1)c1cccnn1 ZINC000598596861 439284025 /nfs/dbraw/zinc/28/40/25/439284025.db2.gz UOTFOSQTFNBPCD-HUUCEWRRSA-N 1 1 333.436 0.914 20 30 ECEDMO CN(C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO1)c1cccnn1 ZINC000598596861 439284028 /nfs/dbraw/zinc/28/40/28/439284028.db2.gz UOTFOSQTFNBPCD-HUUCEWRRSA-N 1 1 333.436 0.914 20 30 ECEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000603401565 439256249 /nfs/dbraw/zinc/25/62/49/439256249.db2.gz PZMHDEQGLURBIS-UHFFFAOYSA-N 1 1 336.461 0.864 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000491071784 439328813 /nfs/dbraw/zinc/32/88/13/439328813.db2.gz NGQYMQLKIXYPMZ-ZDUSSCGKSA-N 1 1 331.420 0.864 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000491067491 439328850 /nfs/dbraw/zinc/32/88/50/439328850.db2.gz ILVZYVUKQKHXQM-HNNXBMFYSA-N 1 1 334.464 0.889 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NCC[N@H+](C)CCCOC)CC1 ZINC000491100068 439333074 /nfs/dbraw/zinc/33/30/74/439333074.db2.gz FOBCAEJGQZUGMT-UHFFFAOYSA-N 1 1 338.452 0.126 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000491154960 439339216 /nfs/dbraw/zinc/33/92/16/439339216.db2.gz NQDYFGRRPHUSRT-UHFFFAOYSA-N 1 1 338.477 0.206 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000491126835 439335918 /nfs/dbraw/zinc/33/59/18/439335918.db2.gz SRYKNDLJWYRORQ-UHFFFAOYSA-N 1 1 348.491 0.440 20 30 ECEDMO C#CCN(CC#CC)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000490678474 439286281 /nfs/dbraw/zinc/28/62/81/439286281.db2.gz OEKGYOYBGMMCHU-INIZCTEOSA-N 1 1 332.448 0.597 20 30 ECEDMO CN(C)c1ncc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)n1C ZINC000568992102 439296616 /nfs/dbraw/zinc/29/66/16/439296616.db2.gz VMVUKTPZGIHTJL-UHFFFAOYSA-N 1 1 347.444 0.921 20 30 ECEDMO CC(=O)NCC(=O)N1CCC[N@@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000528728511 439363131 /nfs/dbraw/zinc/36/31/31/439363131.db2.gz DVSHQUNHLBIKME-UHFFFAOYSA-N 1 1 344.415 0.607 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1C[C@H](OC)C[C@@H]1CC(=O)OCC ZINC000491295081 439363270 /nfs/dbraw/zinc/36/32/70/439363270.db2.gz FMUBXLONQBZQLI-HUUCEWRRSA-N 1 1 339.436 0.694 20 30 ECEDMO C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)[C@@H](C)C[N@H+]1CCO ZINC000528524961 439345752 /nfs/dbraw/zinc/34/57/52/439345752.db2.gz SBJJVJMHAMHCLS-VYDXJSESSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)[C@@H](C)CN1CCO ZINC000528524961 439345757 /nfs/dbraw/zinc/34/57/57/439345757.db2.gz SBJJVJMHAMHCLS-VYDXJSESSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)[C@@H](C)CN1CCO ZINC000528524961 439345762 /nfs/dbraw/zinc/34/57/62/439345762.db2.gz SBJJVJMHAMHCLS-VYDXJSESSA-N 1 1 333.432 0.685 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000491504261 439396371 /nfs/dbraw/zinc/39/63/71/439396371.db2.gz GZOIFWRLTVYRNT-UHFFFAOYSA-N 1 1 328.372 0.173 20 30 ECEDMO C#C[C@H](CCC)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000491617615 439412447 /nfs/dbraw/zinc/41/24/47/439412447.db2.gz BHKGFLKJTKLXCG-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000491629125 439414762 /nfs/dbraw/zinc/41/47/62/439414762.db2.gz NZRZWTWLHLYHOD-UKRRQHHQSA-N 1 1 332.448 0.783 20 30 ECEDMO CN1CCN(c2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cn2)CC1 ZINC000599290026 439420546 /nfs/dbraw/zinc/42/05/46/439420546.db2.gz NWLLETFNNKOFGM-INIZCTEOSA-N 1 1 329.448 0.978 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000491711958 439433874 /nfs/dbraw/zinc/43/38/74/439433874.db2.gz XWRVRTUBDQXVIW-UHFFFAOYSA-N 1 1 338.452 0.126 20 30 ECEDMO C#C[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000491741443 439439847 /nfs/dbraw/zinc/43/98/47/439439847.db2.gz ILZJZSGNHBFIFS-OAHLLOKOSA-N 1 1 343.427 0.729 20 30 ECEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000491741443 439439856 /nfs/dbraw/zinc/43/98/56/439439856.db2.gz ILZJZSGNHBFIFS-OAHLLOKOSA-N 1 1 343.427 0.729 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C[C@@H](c3ccccn3)CC2=O)CC1 ZINC000491753820 439442156 /nfs/dbraw/zinc/44/21/56/439442156.db2.gz PWLUQYZSEUYSAS-INIZCTEOSA-N 1 1 340.427 0.816 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C ZINC000491775710 439447623 /nfs/dbraw/zinc/44/76/23/439447623.db2.gz DGUPXIJUKVKBRW-CQSZACIVSA-N 1 1 344.481 0.007 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2CC)c1 ZINC000491776180 439448732 /nfs/dbraw/zinc/44/87/32/439448732.db2.gz YTDDTBUFQKXSMF-OAHLLOKOSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@H]2CC)c1 ZINC000491776180 439448737 /nfs/dbraw/zinc/44/87/37/439448737.db2.gz YTDDTBUFQKXSMF-OAHLLOKOSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)CC1 ZINC000491786206 439450544 /nfs/dbraw/zinc/45/05/44/439450544.db2.gz UMHGNNQFUJVEAI-ROUUACIJSA-N 1 1 327.428 0.572 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599464901 439483692 /nfs/dbraw/zinc/48/36/92/439483692.db2.gz WQGLWMYOMOQWIC-OAHLLOKOSA-N 1 1 344.481 0.700 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599542828 439503209 /nfs/dbraw/zinc/50/32/09/439503209.db2.gz DQUBUFWHICSJDU-INIZCTEOSA-N 1 1 348.447 0.896 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000491814833 439458022 /nfs/dbraw/zinc/45/80/22/439458022.db2.gz OGOXLTMMVZNNPO-UHFFFAOYSA-N 1 1 333.436 0.939 20 30 ECEDMO COC[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000532573234 439518112 /nfs/dbraw/zinc/51/81/12/439518112.db2.gz NHXRMUFIKJSHNL-CQSZACIVSA-N 1 1 347.419 0.472 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000533325834 439525294 /nfs/dbraw/zinc/52/52/94/439525294.db2.gz AAHWZYLWBOVRJA-ZDUSSCGKSA-N 1 1 332.408 0.644 20 30 ECEDMO C=CCNC(=O)CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000537417769 439540634 /nfs/dbraw/zinc/54/06/34/439540634.db2.gz SAGYDAQMILTVJP-UHFFFAOYSA-N 1 1 345.447 0.410 20 30 ECEDMO N#CCCCOc1cccnc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000599778448 439556211 /nfs/dbraw/zinc/55/62/11/439556211.db2.gz DZVICJOPVHCUPS-ZDUSSCGKSA-N 1 1 333.392 0.952 20 30 ECEDMO C=CCCCCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000572135194 439558657 /nfs/dbraw/zinc/55/86/57/439558657.db2.gz QXTAGRZNAMHOBT-UHFFFAOYSA-N 1 1 344.481 0.362 20 30 ECEDMO CCC[C@@H](C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000609516930 439572938 /nfs/dbraw/zinc/57/29/38/439572938.db2.gz UCROIDKIRUKEIS-GJZGRUSLSA-N 1 1 336.436 0.508 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)nc1 ZINC000609668189 439583176 /nfs/dbraw/zinc/58/31/76/439583176.db2.gz IYFVFZXMBXNBLK-HNNXBMFYSA-N 1 1 329.404 0.090 20 30 ECEDMO N#Cc1sccc1N1CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000594735282 439598795 /nfs/dbraw/zinc/59/87/95/439598795.db2.gz KEBFJDUZSCJUSG-CQSZACIVSA-N 1 1 347.488 0.939 20 30 ECEDMO N#CC1(CS(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000594817411 439620026 /nfs/dbraw/zinc/62/00/26/439620026.db2.gz QSXDABKCQYGWNA-INIZCTEOSA-N 1 1 349.456 0.976 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000594789261 439612944 /nfs/dbraw/zinc/61/29/44/439612944.db2.gz KDAGIZZLRXSOHY-CYBMUJFWSA-N 1 1 332.470 0.556 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)COc1ccccc1C#N ZINC000610709286 439641472 /nfs/dbraw/zinc/64/14/72/439641472.db2.gz PHZPYDFFLFNZEC-UHFFFAOYSA-N 1 1 330.388 0.169 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@](C)(C#N)C3)CC2)c1 ZINC000595147158 439661137 /nfs/dbraw/zinc/66/11/37/439661137.db2.gz KFCBNOOWQAPDRK-SFHVURJKSA-N 1 1 341.415 0.801 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000573847522 439671752 /nfs/dbraw/zinc/67/17/52/439671752.db2.gz DTQGLLLUBHTNKN-UHFFFAOYSA-N 1 1 328.420 0.880 20 30 ECEDMO C[C@@](O)(C[C@@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)C1CC1 ZINC000600847221 439709562 /nfs/dbraw/zinc/70/95/62/439709562.db2.gz YAAKZPDYGDSYTR-SJLPKXTDSA-N 1 1 330.432 0.987 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595384983 439717632 /nfs/dbraw/zinc/71/76/32/439717632.db2.gz QQAFGOSVUGOYNV-OAHLLOKOSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595384342 439718553 /nfs/dbraw/zinc/71/85/53/439718553.db2.gz IYODCPXAXQASDW-OAHLLOKOSA-N 1 1 335.429 0.778 20 30 ECEDMO CC(C)[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)N1CCN(C)CC1 ZINC000574685097 439720823 /nfs/dbraw/zinc/72/08/23/439720823.db2.gz ZAPUDBCLYSOVMG-DLBZAZTESA-N 1 1 325.501 0.054 20 30 ECEDMO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611175147 439677600 /nfs/dbraw/zinc/67/76/00/439677600.db2.gz XJDZNWRMNHFQMW-INIZCTEOSA-N 1 1 347.415 0.744 20 30 ECEDMO COCC1([N@H+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000611178635 439677811 /nfs/dbraw/zinc/67/78/11/439677811.db2.gz IBBXLTCQMGUSDA-UHFFFAOYSA-N 1 1 347.419 0.614 20 30 ECEDMO COCC1([N@@H+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000611178635 439677815 /nfs/dbraw/zinc/67/78/15/439677815.db2.gz IBBXLTCQMGUSDA-UHFFFAOYSA-N 1 1 347.419 0.614 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000612659138 439734513 /nfs/dbraw/zinc/73/45/13/439734513.db2.gz PELRLWPTTNAOEN-HOTGVXAUSA-N 1 1 325.453 0.810 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)c1C#N ZINC000615954465 439810000 /nfs/dbraw/zinc/81/00/00/439810000.db2.gz NBIWAKKTWWBEHL-CQSZACIVSA-N 1 1 345.451 0.526 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641666297 439882133 /nfs/dbraw/zinc/88/21/33/439882133.db2.gz CEIOMWJBYZTZET-MRXNPFEDSA-N 1 1 325.453 0.492 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000641689071 439898893 /nfs/dbraw/zinc/89/88/93/439898893.db2.gz NVRSFZLSRAOMFK-CYBMUJFWSA-N 1 1 325.434 0.629 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658811231 440126295 /nfs/dbraw/zinc/12/62/95/440126295.db2.gz SDOXJVCVONHBIZ-WBVHZDCISA-N 1 1 349.475 0.859 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC1CCN(CC#N)CC1 ZINC000618812226 440162761 /nfs/dbraw/zinc/16/27/61/440162761.db2.gz OUTYAYOEABFQKE-HNNXBMFYSA-N 1 1 349.479 0.869 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000649188234 440409963 /nfs/dbraw/zinc/40/99/63/440409963.db2.gz HBXJTBLMFMOQEV-ZWKOTPCHSA-N 1 1 329.444 0.866 20 30 ECEDMO C=CC[C@@]1(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)CCC[NH2+]1 ZINC000638856515 440632724 /nfs/dbraw/zinc/63/27/24/440632724.db2.gz NMXHSQXPZPZHHN-QAPCUYQASA-N 1 1 334.464 0.496 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000560318372 322233032 /nfs/dbraw/zinc/23/30/32/322233032.db2.gz HXRIQSPVAKALDG-OAHLLOKOSA-N 1 1 341.415 0.640 20 30 ECEDMO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1=O ZINC000562990101 322291302 /nfs/dbraw/zinc/29/13/02/322291302.db2.gz DQRJHICWZQJQAD-XNRPHZJLSA-N 1 1 347.440 0.931 20 30 ECEDMO COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000567102652 322569741 /nfs/dbraw/zinc/56/97/41/322569741.db2.gz BJKSYMHOJDBWQX-HOCLYGCPSA-N 1 1 334.420 0.488 20 30 ECEDMO C[C@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)CN1CCN(C)CC1 ZINC000567691031 322593272 /nfs/dbraw/zinc/59/32/72/322593272.db2.gz NRHSHWIOOIURJH-AEFFLSMTSA-N 1 1 346.475 0.771 20 30 ECEDMO COCCn1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cn1 ZINC000577743306 322845045 /nfs/dbraw/zinc/84/50/45/322845045.db2.gz LEVRPPMGOMNZLD-UHFFFAOYSA-N 1 1 349.416 0.360 20 30 ECEDMO COc1ccncc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000579824757 322907629 /nfs/dbraw/zinc/90/76/29/322907629.db2.gz UMJXRUBXSDLGGJ-UHFFFAOYSA-N 1 1 332.385 0.920 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(CCN(C(=O)c4nc[nH]n4)C3)C2)C1=O ZINC001041750770 782124123 /nfs/dbraw/zinc/12/41/23/782124123.db2.gz WFLVLBFXLIQBBS-GUYCJALGSA-N 1 1 344.419 0.130 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000184342764 528552031 /nfs/dbraw/zinc/55/20/31/528552031.db2.gz ONUSVJPLNZVSNX-UHFFFAOYSA-N 1 1 331.825 0.804 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000329388707 546022166 /nfs/dbraw/zinc/02/21/66/546022166.db2.gz UDQWKUQNPDVEGX-MGPQQGTHSA-N 1 1 336.436 0.364 20 30 ECEDMO CC(C)N1CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000329514632 546026555 /nfs/dbraw/zinc/02/65/55/546026555.db2.gz OETGECDFZRWMHL-HNNXBMFYSA-N 1 1 339.484 0.337 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000329643569 546030121 /nfs/dbraw/zinc/03/01/21/546030121.db2.gz AHUGUKMUSQKWKN-INIZCTEOSA-N 1 1 334.468 0.755 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000330202697 546040604 /nfs/dbraw/zinc/04/06/04/546040604.db2.gz ZQDJMANNRBHXCS-MCIONIFRSA-N 1 1 329.466 0.894 20 30 ECEDMO C[C@H](C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1)n1cnc(C#N)n1 ZINC000619613723 546347941 /nfs/dbraw/zinc/34/79/41/546347941.db2.gz SSCKVOYXKOAQAJ-KGLIPLIRSA-N 1 1 346.435 0.860 20 30 ECEDMO COCCOCC[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625432244 547099191 /nfs/dbraw/zinc/09/91/91/547099191.db2.gz MRMYNUZPBCCQSD-UHFFFAOYSA-N 1 1 330.384 0.881 20 30 ECEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)nn1 ZINC000668146514 547596801 /nfs/dbraw/zinc/59/68/01/547596801.db2.gz JDPDVMMVZBZXOG-CJNGLKHVSA-N 1 1 332.408 0.807 20 30 ECEDMO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668966950 547801267 /nfs/dbraw/zinc/80/12/67/547801267.db2.gz NQGZCYBDFBCIML-GOEBONIOSA-N 1 1 337.464 0.905 20 30 ECEDMO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000669067731 547822624 /nfs/dbraw/zinc/82/26/24/547822624.db2.gz SUUJHVAGOWCLSJ-CQSZACIVSA-N 1 1 348.451 0.513 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCC(=C)C)C[C@H]1O ZINC001078028119 782171326 /nfs/dbraw/zinc/17/13/26/782171326.db2.gz ZWQOAYCKZYBDPH-HZPDHXFCSA-N 1 1 329.400 0.835 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)nc1 ZINC001078031122 782176256 /nfs/dbraw/zinc/17/62/56/782176256.db2.gz CNBHXTXOROGZGH-DJIMGWMZSA-N 1 1 329.400 0.407 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001041775861 782178166 /nfs/dbraw/zinc/17/81/66/782178166.db2.gz UBXMEGYBCJHXKU-KRWDZBQOSA-N 1 1 334.420 0.429 20 30 ECEDMO C#CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000753377535 579399838 /nfs/dbraw/zinc/39/98/38/579399838.db2.gz HQZNIZCNBMEMCS-QZTJIDSGSA-N 1 1 345.443 0.818 20 30 ECEDMO Cc1nc(C#N)c(N=NCc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000755660695 579436501 /nfs/dbraw/zinc/43/65/01/579436501.db2.gz JCMDKBRYPLBPHI-UHFFFAOYSA-N 1 1 326.364 0.843 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cncc(N3CCOCC3)c2)CC1 ZINC000756962770 579457486 /nfs/dbraw/zinc/45/74/86/579457486.db2.gz HPZIWGUJLZKPSS-UHFFFAOYSA-N 1 1 328.416 0.699 20 30 ECEDMO C#CCNC(=S)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000758232641 579469241 /nfs/dbraw/zinc/46/92/41/579469241.db2.gz AIJMXGCMCLWNQJ-INIZCTEOSA-N 1 1 344.484 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)NCCC)CC2)nc1 ZINC000728812837 578291314 /nfs/dbraw/zinc/29/13/14/578291314.db2.gz CXLGTXFZMMBTJI-UHFFFAOYSA-N 1 1 328.416 0.783 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccc(C)nn2)CC1 ZINC000730285753 578304705 /nfs/dbraw/zinc/30/47/05/578304705.db2.gz HOPBSCWYIUZJFL-INIZCTEOSA-N 1 1 327.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccc(C)nn2)CC1 ZINC000730285753 578304706 /nfs/dbraw/zinc/30/47/06/578304706.db2.gz HOPBSCWYIUZJFL-INIZCTEOSA-N 1 1 327.432 0.921 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(C#N)cn1 ZINC000780658094 578698766 /nfs/dbraw/zinc/69/87/66/578698766.db2.gz GICNGFXDTSYLHL-ZDUSSCGKSA-N 1 1 331.420 0.940 20 30 ECEDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780954361 578703608 /nfs/dbraw/zinc/70/36/08/578703608.db2.gz DPAULDNODSEKRN-CXAGYDPISA-N 1 1 345.399 0.687 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000785028997 578762278 /nfs/dbraw/zinc/76/22/78/578762278.db2.gz TVCMPPUTARHCAS-GXTWGEPZSA-N 1 1 330.392 0.288 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)CC2CC2)CC1 ZINC000765792888 579074131 /nfs/dbraw/zinc/07/41/31/579074131.db2.gz TZYLRVNRWUECCG-UHFFFAOYSA-N 1 1 329.466 0.761 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000770307827 579164529 /nfs/dbraw/zinc/16/45/29/579164529.db2.gz ZTICTGQWNPSCCR-XJKSGUPXSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000770307827 579164530 /nfs/dbraw/zinc/16/45/30/579164530.db2.gz ZTICTGQWNPSCCR-XJKSGUPXSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCN(C(=O)NC[C@@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000774177424 579241888 /nfs/dbraw/zinc/24/18/88/579241888.db2.gz IDHSNKMHEPTEBR-CABCVRRESA-N 1 1 341.477 0.693 20 30 ECEDMO C#C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000775330896 579265598 /nfs/dbraw/zinc/26/55/98/579265598.db2.gz SDVKIFDDHSYZIY-SCTDSRPQSA-N 1 1 328.412 0.920 20 30 ECEDMO C#C[C@H](NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000776106476 579274980 /nfs/dbraw/zinc/27/49/80/579274980.db2.gz BJBFGIRCUMUTRG-BBWFWOEESA-N 1 1 336.480 0.738 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000776592887 579285410 /nfs/dbraw/zinc/28/54/10/579285410.db2.gz PCDWOTYWZDWUKQ-INIZCTEOSA-N 1 1 349.475 0.818 20 30 ECEDMO C[C@@H](CNC(=O)NCCNc1ncccc1C#N)C[NH+]1CCOCC1 ZINC000738991427 579660366 /nfs/dbraw/zinc/66/03/66/579660366.db2.gz VMIIGXHHWNMHFE-AWEZNQCLSA-N 1 1 346.435 0.633 20 30 ECEDMO CCOCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000742403652 579786909 /nfs/dbraw/zinc/78/69/09/579786909.db2.gz AJEKDFPQVHBVSB-UHFFFAOYSA-N 1 1 338.433 0.364 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000743920153 579803569 /nfs/dbraw/zinc/80/35/69/579803569.db2.gz TXAYVQXUTXTDMK-OAHLLOKOSA-N 1 1 345.399 0.474 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1=O ZINC000744438143 579809515 /nfs/dbraw/zinc/80/95/15/579809515.db2.gz VWBPNDQJWOQRSS-HNNXBMFYSA-N 1 1 348.447 0.869 20 30 ECEDMO C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000746045052 579830741 /nfs/dbraw/zinc/83/07/41/579830741.db2.gz CGKLXBRUXVFUSB-ZDUSSCGKSA-N 1 1 330.388 0.985 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[N@H+]1CCC[C@H](C)C1 ZINC000746353254 579836592 /nfs/dbraw/zinc/83/65/92/579836592.db2.gz AJCBLFQZRODSET-STQMWFEESA-N 1 1 332.408 0.582 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[N@H+]1CCCC[C@H]1C ZINC000746353845 579836660 /nfs/dbraw/zinc/83/66/60/579836660.db2.gz LHFPMQZXEYJQCU-CHWSQXEVSA-N 1 1 332.408 0.724 20 30 ECEDMO COc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1C#N ZINC000746725976 579843843 /nfs/dbraw/zinc/84/38/43/579843843.db2.gz RPRQAHHDARWNGE-HNNXBMFYSA-N 1 1 331.420 0.612 20 30 ECEDMO C#CC[C@@H](NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C(=O)OC ZINC000837939623 588966168 /nfs/dbraw/zinc/96/61/68/588966168.db2.gz FMQOSEHPJXXMJS-IAGOWNOFSA-N 1 1 343.427 0.656 20 30 ECEDMO C#CC[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)OC ZINC000837941658 588966460 /nfs/dbraw/zinc/96/64/60/588966460.db2.gz ICLYFMGRHNCCBY-YJBOKZPZSA-N 1 1 330.384 0.305 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)nn1 ZINC000895445702 586183383 /nfs/dbraw/zinc/18/33/83/586183383.db2.gz KUSWYWDDPSPAIF-CABCVRRESA-N 1 1 334.424 0.205 20 30 ECEDMO COC(=O)[C@@]1(C[NH2+]Cc2ccc(C#N)cc2F)C[C@@H]1S(C)(=O)=O ZINC000895509728 586186426 /nfs/dbraw/zinc/18/64/26/586186426.db2.gz YWJSWOVJANHYQH-DZGCQCFKSA-N 1 1 340.376 0.763 20 30 ECEDMO C=CCC(F)(F)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896229359 586229279 /nfs/dbraw/zinc/22/92/79/586229279.db2.gz FJPMWBYUMXMFLJ-UHFFFAOYSA-N 1 1 330.379 0.709 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nc(C(F)(F)F)no2)C1 ZINC000896382905 586238804 /nfs/dbraw/zinc/23/88/04/586238804.db2.gz ZWEDJKZMBNLZRL-SECBINFHSA-N 1 1 331.298 0.985 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nc(C(F)(F)F)no2)C1 ZINC000896382905 586238805 /nfs/dbraw/zinc/23/88/05/586238805.db2.gz ZWEDJKZMBNLZRL-SECBINFHSA-N 1 1 331.298 0.985 20 30 ECEDMO C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896560013 586253587 /nfs/dbraw/zinc/25/35/87/586253587.db2.gz KJDPFOSQGKTBDH-WMLDXEAASA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@H]1CN(C)CCN1C ZINC000896560013 586253589 /nfs/dbraw/zinc/25/35/89/586253589.db2.gz KJDPFOSQGKTBDH-WMLDXEAASA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896560013 586253590 /nfs/dbraw/zinc/25/35/90/586253590.db2.gz KJDPFOSQGKTBDH-WMLDXEAASA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896560013 586253591 /nfs/dbraw/zinc/25/35/91/586253591.db2.gz KJDPFOSQGKTBDH-WMLDXEAASA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@H](CNC(=O)NCc1nc(C#N)cs1)CN1CC[NH+](C)CC1 ZINC000893238716 586318830 /nfs/dbraw/zinc/31/88/30/586318830.db2.gz VVEGKAQMYBYRIT-GFCCVEGCSA-N 1 1 336.465 0.697 20 30 ECEDMO COC(=O)COc1ccccc1C=NNCCC[NH+]1CCOCC1 ZINC000901234317 586702888 /nfs/dbraw/zinc/70/28/88/586702888.db2.gz HZMJNOPDPJQZSA-UHFFFAOYSA-N 1 1 335.404 0.884 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000901226323 586704105 /nfs/dbraw/zinc/70/41/05/586704105.db2.gz DBSSJYWDJKVXOS-UHFFFAOYSA-N 1 1 330.428 0.949 20 30 ECEDMO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000905428037 586893602 /nfs/dbraw/zinc/89/36/02/586893602.db2.gz QHBRKKONAZHMOU-IBGZPJMESA-N 1 1 345.491 0.734 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000906649564 586961871 /nfs/dbraw/zinc/96/18/71/586961871.db2.gz GBGKHVTZHRAGSD-SXXBIRCQSA-N 1 1 334.420 0.751 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000801509784 586998504 /nfs/dbraw/zinc/99/85/04/586998504.db2.gz AEWCOVCLDYIPNR-OAHLLOKOSA-N 1 1 349.456 0.820 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000907042251 587005915 /nfs/dbraw/zinc/00/59/15/587005915.db2.gz GDHSSOHUFVZSAA-ZDUSSCGKSA-N 1 1 332.429 0.998 20 30 ECEDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801948630 587006643 /nfs/dbraw/zinc/00/66/43/587006643.db2.gz CRIKEJLCRBTHMT-KBPBESRZSA-N 1 1 333.454 0.287 20 30 ECEDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCO[C@@H](C)C#N)C1 ZINC000801948630 587006645 /nfs/dbraw/zinc/00/66/45/587006645.db2.gz CRIKEJLCRBTHMT-KBPBESRZSA-N 1 1 333.454 0.287 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000804352835 587083584 /nfs/dbraw/zinc/08/35/84/587083584.db2.gz QRCKMEJAPOGXLC-LLVKDONJSA-N 1 1 348.241 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000804499571 587086292 /nfs/dbraw/zinc/08/62/92/587086292.db2.gz KMHHEBKRKBPMRQ-KKUMJFAQSA-N 1 1 341.477 0.308 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000804499571 587086293 /nfs/dbraw/zinc/08/62/93/587086293.db2.gz KMHHEBKRKBPMRQ-KKUMJFAQSA-N 1 1 341.477 0.308 20 30 ECEDMO C#Cc1cncc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000806739134 587106729 /nfs/dbraw/zinc/10/67/29/587106729.db2.gz BGPVNVQKTUJPDR-MRXNPFEDSA-N 1 1 328.416 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000806739133 587106734 /nfs/dbraw/zinc/10/67/34/587106734.db2.gz BGPVNVQKTUJPDR-INIZCTEOSA-N 1 1 328.416 0.735 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[C@@H]1CCCO1 ZINC000809305455 587173466 /nfs/dbraw/zinc/17/34/66/587173466.db2.gz DGXNHDYDTKQZBP-TWMKSMIVSA-N 1 1 347.459 0.757 20 30 ECEDMO CON=CC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000809664764 587181299 /nfs/dbraw/zinc/18/12/99/587181299.db2.gz MFMIFXBQJZOCHJ-UHFFFAOYSA-N 1 1 347.419 0.468 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000810318634 587192412 /nfs/dbraw/zinc/19/24/12/587192412.db2.gz HLFMXNJTMQOSFI-KRWDZBQOSA-N 1 1 327.428 0.914 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1F ZINC000813659618 587259063 /nfs/dbraw/zinc/25/90/63/587259063.db2.gz ICRFAUROQQBCJS-OLZOCXBDSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC000813659618 587259065 /nfs/dbraw/zinc/25/90/65/587259065.db2.gz ICRFAUROQQBCJS-OLZOCXBDSA-N 1 1 339.392 0.839 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000814145232 587271042 /nfs/dbraw/zinc/27/10/42/587271042.db2.gz MDYDAWBGPUKDIN-GDBMZVCRSA-N 1 1 347.440 0.374 20 30 ECEDMO C[C@@H](C#N)OCC[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000814650757 587278537 /nfs/dbraw/zinc/27/85/37/587278537.db2.gz YEFNTDAWVCQKHN-LBPRGKRZSA-N 1 1 327.406 0.573 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000815063046 587281805 /nfs/dbraw/zinc/28/18/05/587281805.db2.gz UWUZPAKBHSMHIR-KBPBESRZSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000815063046 587281807 /nfs/dbraw/zinc/28/18/07/587281807.db2.gz UWUZPAKBHSMHIR-KBPBESRZSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(C(=O)OC)c1 ZINC000815861539 587300587 /nfs/dbraw/zinc/30/05/87/587300587.db2.gz NLPSOABYIZPXLC-UHFFFAOYSA-N 1 1 349.362 0.622 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnc2c(c1)COCC2 ZINC000815860571 587300684 /nfs/dbraw/zinc/30/06/84/587300684.db2.gz RIBKDQTXZZEFJZ-UHFFFAOYSA-N 1 1 330.388 0.164 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cccc(S(=O)(=O)NCC)c1 ZINC000818609024 587440993 /nfs/dbraw/zinc/44/09/93/587440993.db2.gz GXTBBFRIJKCGIX-UHFFFAOYSA-N 1 1 337.445 0.670 20 30 ECEDMO C#C[C@@H](CCC)NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000820635180 587546371 /nfs/dbraw/zinc/54/63/71/587546371.db2.gz JEEYHCUVVMZALM-INIZCTEOSA-N 1 1 334.464 0.984 20 30 ECEDMO C=CCCn1cc(C(=O)O[C@H](C)C(=O)N2CC[NH+](CC)CC2)nn1 ZINC000820987009 587567083 /nfs/dbraw/zinc/56/70/83/587567083.db2.gz DMHRWFWCDWHVBV-CYBMUJFWSA-N 1 1 335.408 0.564 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCSc1ncnc2[nH]cnc21 ZINC000823187529 587708423 /nfs/dbraw/zinc/70/84/23/587708423.db2.gz HSVSDHAGBMKMPF-UHFFFAOYSA-N 1 1 332.433 0.906 20 30 ECEDMO C=C[C@@](C)(O)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000824285466 587865657 /nfs/dbraw/zinc/86/56/57/587865657.db2.gz JYRUEVBISXJSAG-GOSISDBHSA-N 1 1 333.432 0.870 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000828219733 588166565 /nfs/dbraw/zinc/16/65/65/588166565.db2.gz NUOOVORYKRDDHZ-INIZCTEOSA-N 1 1 337.464 0.865 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000844358434 589109019 /nfs/dbraw/zinc/10/90/19/589109019.db2.gz WYHQUOGVVUVOEH-QGZVFWFLSA-N 1 1 325.412 0.831 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000844358434 589109020 /nfs/dbraw/zinc/10/90/20/589109020.db2.gz WYHQUOGVVUVOEH-QGZVFWFLSA-N 1 1 325.412 0.831 20 30 ECEDMO C#CCOc1ccccc1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000844974246 589127481 /nfs/dbraw/zinc/12/74/81/589127481.db2.gz BBVBLYBPUDTPED-MRXNPFEDSA-N 1 1 329.400 0.659 20 30 ECEDMO C#CCOc1ccccc1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000844974246 589127482 /nfs/dbraw/zinc/12/74/82/589127482.db2.gz BBVBLYBPUDTPED-MRXNPFEDSA-N 1 1 329.400 0.659 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 ZINC000845003955 589127876 /nfs/dbraw/zinc/12/78/76/589127876.db2.gz QJJJIBLHCWTOFL-DLBZAZTESA-N 1 1 346.431 0.954 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cncnc1C ZINC000848400061 589292832 /nfs/dbraw/zinc/29/28/32/589292832.db2.gz BLMHGTRCUNTROB-UHFFFAOYSA-N 1 1 336.465 0.695 20 30 ECEDMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCOC[C@H]2C#N)[C@@H](c2cnn(C)c2)C1 ZINC000849554063 589340331 /nfs/dbraw/zinc/34/03/31/589340331.db2.gz LIGHNMBCXGIZAG-IXDOHACOSA-N 1 1 345.447 0.985 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000850683015 589378924 /nfs/dbraw/zinc/37/89/24/589378924.db2.gz PQTBQLQIGAPDPT-WBVHZDCISA-N 1 1 347.459 0.306 20 30 ECEDMO C#C[C@H](NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)C1CCOCC1 ZINC000852258675 589453077 /nfs/dbraw/zinc/45/30/77/589453077.db2.gz YWHPAPPDQULXJQ-WBVHZDCISA-N 1 1 336.480 0.740 20 30 ECEDMO C=C[C@H](CO)NCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000852713330 589507183 /nfs/dbraw/zinc/50/71/83/589507183.db2.gz DLSLVORDRLSPEK-OAHLLOKOSA-N 1 1 332.448 0.904 20 30 ECEDMO C#CCCN(CCOC)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000853743580 589557389 /nfs/dbraw/zinc/55/73/89/589557389.db2.gz RBSUYWXTYJDTRS-MRXNPFEDSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CCCN(CCOC)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000853743580 589557390 /nfs/dbraw/zinc/55/73/90/589557390.db2.gz RBSUYWXTYJDTRS-MRXNPFEDSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000854314244 589579289 /nfs/dbraw/zinc/57/92/89/589579289.db2.gz HDAODPQMWSKOSA-KGLIPLIRSA-N 1 1 341.477 0.691 20 30 ECEDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000854643895 589597590 /nfs/dbraw/zinc/59/75/90/589597590.db2.gz ZWRFMMDGSIUKBL-IKGGRYGDSA-N 1 1 329.400 0.913 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)c(OC)c2)CC[N@H+](C)C1 ZINC000854932317 589613306 /nfs/dbraw/zinc/61/33/06/589613306.db2.gz DZMCGDDPPPKMPC-AWEZNQCLSA-N 1 1 331.372 0.744 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)c(OC)c2)CC[N@@H+](C)C1 ZINC000854932317 589613307 /nfs/dbraw/zinc/61/33/07/589613307.db2.gz DZMCGDDPPPKMPC-AWEZNQCLSA-N 1 1 331.372 0.744 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@H](O)c2ccnn2C)CC1 ZINC000856800436 589676145 /nfs/dbraw/zinc/67/61/45/589676145.db2.gz DJZWJZTXPFDDMI-WFASDCNBSA-N 1 1 349.435 0.566 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858037067 589722280 /nfs/dbraw/zinc/72/22/80/589722280.db2.gz SQKVWRIBVMRDOI-KRWDZBQOSA-N 1 1 342.443 0.621 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858037067 589722281 /nfs/dbraw/zinc/72/22/81/589722281.db2.gz SQKVWRIBVMRDOI-KRWDZBQOSA-N 1 1 342.443 0.621 20 30 ECEDMO Cn1c(NC[C@H]2c3ccccc3C[N@H+]2C)c(C#N)c(=O)n(C)c1=O ZINC000866193057 589728780 /nfs/dbraw/zinc/72/87/80/589728780.db2.gz AFHIHRLNYBQBGN-AWEZNQCLSA-N 1 1 325.372 0.554 20 30 ECEDMO Cn1c(NC[C@H]2c3ccccc3C[N@@H+]2C)c(C#N)c(=O)n(C)c1=O ZINC000866193057 589728783 /nfs/dbraw/zinc/72/87/83/589728783.db2.gz AFHIHRLNYBQBGN-AWEZNQCLSA-N 1 1 325.372 0.554 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc2c(c1)NC(=O)CN2C ZINC000860529113 589779607 /nfs/dbraw/zinc/77/96/07/589779607.db2.gz ALJRQTHGECIALP-ZDUSSCGKSA-N 1 1 328.372 0.724 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cnc3c(c2)NC(=O)CN3C)CC1 ZINC000859003227 589792159 /nfs/dbraw/zinc/79/21/59/589792159.db2.gz IRGMYWDJSSCMKQ-UHFFFAOYSA-N 1 1 327.388 0.251 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000859439050 589838381 /nfs/dbraw/zinc/83/83/81/589838381.db2.gz SZWHLQAHFPOOHJ-INIZCTEOSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cn1ccc(Br)cc1=O ZINC000868580565 589915242 /nfs/dbraw/zinc/91/52/42/589915242.db2.gz BPQLFIGFSSLFJT-UHFFFAOYSA-N 1 1 340.221 0.682 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868819220 589928931 /nfs/dbraw/zinc/92/89/31/589928931.db2.gz RDQMVNGFKMUNFT-INIZCTEOSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000862566863 589943339 /nfs/dbraw/zinc/94/33/39/589943339.db2.gz VHZITXITBLULLE-SJORKVTESA-N 1 1 347.459 0.572 20 30 ECEDMO COc1ccc([C@H]2CN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC[NH2+]2)cc1 ZINC000870145585 590003179 /nfs/dbraw/zinc/00/31/79/590003179.db2.gz OGPQTQNWYIJXNV-IUODEOHRSA-N 1 1 340.387 0.892 20 30 ECEDMO C[NH+]1CCC(NC(=S)N2CCc3[nH]c(=O)c(C#N)cc3C2)CC1 ZINC000865251109 590135523 /nfs/dbraw/zinc/13/55/23/590135523.db2.gz PHYUVFSPEJFFNU-UHFFFAOYSA-N 1 1 331.445 0.986 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000873024684 590179792 /nfs/dbraw/zinc/17/97/92/590179792.db2.gz YVZRXRFEXWPBHX-KGLIPLIRSA-N 1 1 327.450 0.018 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000875262232 590287854 /nfs/dbraw/zinc/28/78/54/590287854.db2.gz VQSDUWMLYSURNF-WZYMTQMTSA-N 1 1 335.448 0.663 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCO1 ZINC000875325927 590293147 /nfs/dbraw/zinc/29/31/47/590293147.db2.gz UHYYYWQNQPRGAQ-IXDOHACOSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000875374442 590297420 /nfs/dbraw/zinc/29/74/20/590297420.db2.gz JPNGTJZCIKKGAG-HOCLYGCPSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000875465392 590304036 /nfs/dbraw/zinc/30/40/36/590304036.db2.gz QBGCJHZQOFPSOZ-SJORKVTESA-N 1 1 343.427 0.532 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000875465392 590304037 /nfs/dbraw/zinc/30/40/37/590304037.db2.gz QBGCJHZQOFPSOZ-SJORKVTESA-N 1 1 343.427 0.532 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879435838 590311561 /nfs/dbraw/zinc/31/15/61/590311561.db2.gz VCDRFVHLCRMQLA-ZDUSSCGKSA-N 1 1 332.404 0.893 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000875598769 590312608 /nfs/dbraw/zinc/31/26/08/590312608.db2.gz KUMPXPQPDDKPPC-HOTGVXAUSA-N 1 1 337.464 0.625 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000875604223 590314345 /nfs/dbraw/zinc/31/43/45/590314345.db2.gz KKSVPKQQTAUWPG-HOTGVXAUSA-N 1 1 335.448 0.331 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879482163 590314437 /nfs/dbraw/zinc/31/44/37/590314437.db2.gz OGMJDWCTUCGOIC-DYVFJYSZSA-N 1 1 335.404 0.969 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879482163 590314439 /nfs/dbraw/zinc/31/44/39/590314439.db2.gz OGMJDWCTUCGOIC-DYVFJYSZSA-N 1 1 335.404 0.969 20 30 ECEDMO COC(=O)C1=NO[C@]2(CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000879484450 590314526 /nfs/dbraw/zinc/31/45/26/590314526.db2.gz XCARUOHUDHHAGL-DOTOQJQBSA-N 1 1 329.356 0.985 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000875604224 590314755 /nfs/dbraw/zinc/31/47/55/590314755.db2.gz KKSVPKQQTAUWPG-HZPDHXFCSA-N 1 1 335.448 0.331 20 30 ECEDMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@H](CO)[C@H](CO)C2)sc2c1CCC2 ZINC000879694418 590334633 /nfs/dbraw/zinc/33/46/33/590334633.db2.gz DZBQPWRVJVPVCU-TXEJJXNPSA-N 1 1 349.456 0.970 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000875915560 590345665 /nfs/dbraw/zinc/34/56/65/590345665.db2.gz ZISXSFJMUSGGDS-KBPBESRZSA-N 1 1 325.409 0.161 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1 ZINC000880072274 590365536 /nfs/dbraw/zinc/36/55/36/590365536.db2.gz YZPJLDHUNXMQDD-JKSUJKDBSA-N 1 1 349.456 0.473 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1 ZINC000880072274 590365539 /nfs/dbraw/zinc/36/55/39/590365539.db2.gz YZPJLDHUNXMQDD-JKSUJKDBSA-N 1 1 349.456 0.473 20 30 ECEDMO C#CCCCCCC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000876553570 590386554 /nfs/dbraw/zinc/38/65/54/590386554.db2.gz SYMNTYVEPLEYHI-UHFFFAOYSA-N 1 1 335.448 0.573 20 30 ECEDMO COC(=O)[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880563976 590404988 /nfs/dbraw/zinc/40/49/88/590404988.db2.gz YHXWVTKAJNNQJO-KBXCAEBGSA-N 1 1 345.399 0.932 20 30 ECEDMO COC(=O)[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880563976 590404991 /nfs/dbraw/zinc/40/49/91/590404991.db2.gz YHXWVTKAJNNQJO-KBXCAEBGSA-N 1 1 345.399 0.932 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC1CCS(=O)(=O)CC1 ZINC000876881428 590422475 /nfs/dbraw/zinc/42/24/75/590422475.db2.gz YXOLBBGLXYSYEL-MRXNPFEDSA-N 1 1 347.440 0.686 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCC[N@H+]1CCCOCC1 ZINC000876891507 590423606 /nfs/dbraw/zinc/42/36/06/590423606.db2.gz ZOJVMJJLDWDOIU-QGZVFWFLSA-N 1 1 328.416 0.584 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCS1(=O)=O ZINC000877041635 590436187 /nfs/dbraw/zinc/43/61/87/590436187.db2.gz IGUCBSXVSRIBGR-KMUNFCNLSA-N 1 1 333.413 0.437 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 ZINC000879224405 590572175 /nfs/dbraw/zinc/57/21/75/590572175.db2.gz PWALKTRLVXZSSM-UHFFFAOYSA-N 1 1 339.436 0.430 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000879243841 590573454 /nfs/dbraw/zinc/57/34/54/590573454.db2.gz MHZQAMIPFCLRAK-AZUAARDMSA-N 1 1 341.455 0.962 20 30 ECEDMO C=C(C)C[C@@H](CO)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000883374106 590614635 /nfs/dbraw/zinc/61/46/35/590614635.db2.gz QAVDOMMTGCOETD-AWEZNQCLSA-N 1 1 326.441 0.165 20 30 ECEDMO C#CC1(F)CN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000883425977 590617272 /nfs/dbraw/zinc/61/72/72/590617272.db2.gz GDGPITLOUTVMTK-HNNXBMFYSA-N 1 1 345.422 0.959 20 30 ECEDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000883893266 590677915 /nfs/dbraw/zinc/67/79/15/590677915.db2.gz IAONXMNBDHWTQH-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO C#CCN1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133516143 590706951 /nfs/dbraw/zinc/70/69/51/590706951.db2.gz DIFCXXVAGIUYDW-GOSISDBHSA-N 1 1 327.428 0.665 20 30 ECEDMO C#CCN1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133516143 590706954 /nfs/dbraw/zinc/70/69/54/590706954.db2.gz DIFCXXVAGIUYDW-GOSISDBHSA-N 1 1 327.428 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000884079913 590734931 /nfs/dbraw/zinc/73/49/31/590734931.db2.gz DWWXOAVRZLWAMG-HNNXBMFYSA-N 1 1 326.404 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000884079913 590734933 /nfs/dbraw/zinc/73/49/33/590734933.db2.gz DWWXOAVRZLWAMG-HNNXBMFYSA-N 1 1 326.404 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCc2cn3c(n2)SCC3)C1 ZINC000884270708 590792187 /nfs/dbraw/zinc/79/21/87/590792187.db2.gz QDSUTXIZTDUIRX-CYBMUJFWSA-N 1 1 333.461 0.928 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2cn3c(n2)SCC3)C1 ZINC000884270708 590792190 /nfs/dbraw/zinc/79/21/90/590792190.db2.gz QDSUTXIZTDUIRX-CYBMUJFWSA-N 1 1 333.461 0.928 20 30 ECEDMO CN(C)S(=O)(=O)N1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886211220 590815061 /nfs/dbraw/zinc/81/50/61/590815061.db2.gz LIMFGRGWJBQNAQ-CQSZACIVSA-N 1 1 344.481 0.245 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 ZINC000886362607 590834992 /nfs/dbraw/zinc/83/49/92/590834992.db2.gz FQINTAIVGUNWGH-CYBMUJFWSA-N 1 1 335.429 0.926 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889765375 591087791 /nfs/dbraw/zinc/08/77/91/591087791.db2.gz XYYCXMXTZRRDAP-JKSUJKDBSA-N 1 1 342.395 0.824 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000890365209 591151819 /nfs/dbraw/zinc/15/18/19/591151819.db2.gz QOCQQZPDIPVBMY-BBWFWOEESA-N 1 1 336.480 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000890365209 591151821 /nfs/dbraw/zinc/15/18/21/591151821.db2.gz QOCQQZPDIPVBMY-BBWFWOEESA-N 1 1 336.480 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000890364515 591152031 /nfs/dbraw/zinc/15/20/31/591152031.db2.gz BMAMVJJZNCQTSF-SJORKVTESA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000890364515 591152033 /nfs/dbraw/zinc/15/20/33/591152033.db2.gz BMAMVJJZNCQTSF-SJORKVTESA-N 1 1 334.464 0.590 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]2CC1 ZINC000946586354 611355420 /nfs/dbraw/zinc/35/54/20/611355420.db2.gz DWDYUHDXONJRIJ-CALCHBBNSA-N 1 1 327.432 0.862 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2CC1 ZINC000946586843 611355604 /nfs/dbraw/zinc/35/56/04/611355604.db2.gz ZKZQVRSNALYWOR-CALCHBBNSA-N 1 1 344.459 0.595 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@@H](C)C1 ZINC000947975299 611364847 /nfs/dbraw/zinc/36/48/47/611364847.db2.gz LZCYEAMTWHVJTI-YOEHRIQHSA-N 1 1 327.428 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cccnn2)CC1 ZINC000947979060 611366694 /nfs/dbraw/zinc/36/66/94/611366694.db2.gz ZWBYOTZWFSMIEW-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cccnn2)CC1 ZINC000947979060 611366697 /nfs/dbraw/zinc/36/66/97/611366697.db2.gz ZWBYOTZWFSMIEW-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C ZINC000947983989 611369089 /nfs/dbraw/zinc/36/90/89/611369089.db2.gz FXRWNTNYIAHLMM-UKRRQHHQSA-N 1 1 335.452 0.826 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCS3(=O)=O)CC[C@@H]2C1 ZINC000946621432 611370237 /nfs/dbraw/zinc/37/02/37/611370237.db2.gz XWKGFUNJFGXVGA-OWCLPIDISA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC[C@@H]2C1 ZINC000946638679 611381329 /nfs/dbraw/zinc/38/13/29/611381329.db2.gz XYSGFFCNDFXMPM-GASCZTMLSA-N 1 1 328.416 0.804 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCS3(=O)=O)CC[C@@H]2C1 ZINC000946696999 611419148 /nfs/dbraw/zinc/41/91/48/611419148.db2.gz KFBQWISCLNZCQP-XHSDSOJGSA-N 1 1 338.473 0.757 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000930541702 611441857 /nfs/dbraw/zinc/44/18/57/611441857.db2.gz OTDFNHANNOXVOG-MRXNPFEDSA-N 1 1 349.456 0.962 20 30 ECEDMO Cc1cc(NC(=O)N2CCN(C)CC[N@H+](C)CC2)nn1CCC#N ZINC000930632897 611448782 /nfs/dbraw/zinc/44/87/82/611448782.db2.gz JCKUKKIRDQITPL-UHFFFAOYSA-N 1 1 333.440 0.816 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000187394807 611450473 /nfs/dbraw/zinc/45/04/73/611450473.db2.gz VZNTXTUXQHSIER-HNNXBMFYSA-N 1 1 342.443 0.749 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC[C@@H]2C1 ZINC000946800381 611490295 /nfs/dbraw/zinc/49/02/95/611490295.db2.gz ASFIGBRQJCJZEC-ZNMIVQPWSA-N 1 1 348.447 0.721 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947370437 611502181 /nfs/dbraw/zinc/50/21/81/611502181.db2.gz TYJNXWQWZOTMSZ-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCNC(=O)CC2(C)C)CC1 ZINC000931207140 611519263 /nfs/dbraw/zinc/51/92/63/611519263.db2.gz RXJYVNZNYXKHFV-OAHLLOKOSA-N 1 1 349.479 0.279 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCNC(=O)CC2(C)C)CC1 ZINC000931207140 611519265 /nfs/dbraw/zinc/51/92/65/611519265.db2.gz RXJYVNZNYXKHFV-OAHLLOKOSA-N 1 1 349.479 0.279 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000948374840 611552025 /nfs/dbraw/zinc/55/20/25/611552025.db2.gz ZEZZVAQJGILJAF-GJZGRUSLSA-N 1 1 343.431 0.709 20 30 ECEDMO COC1(OC)CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1O ZINC000931637509 611559156 /nfs/dbraw/zinc/55/91/56/611559156.db2.gz WDCTWVVZNYWNQF-HOTGVXAUSA-N 1 1 345.399 0.719 20 30 ECEDMO COC1(OC)CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1O ZINC000931637509 611559157 /nfs/dbraw/zinc/55/91/57/611559157.db2.gz WDCTWVVZNYWNQF-HOTGVXAUSA-N 1 1 345.399 0.719 20 30 ECEDMO COC1(OC)CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1O ZINC000931637385 611558880 /nfs/dbraw/zinc/55/88/80/611558880.db2.gz UVMRKSNZPYJCBO-OAHLLOKOSA-N 1 1 333.388 0.943 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000947500874 611568812 /nfs/dbraw/zinc/56/88/12/611568812.db2.gz VPRBYBHAJBRJDF-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@@H]1C ZINC000947523272 611579047 /nfs/dbraw/zinc/57/90/47/611579047.db2.gz ADDVXCNYANRBSO-KBPBESRZSA-N 1 1 332.404 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000948435606 611594339 /nfs/dbraw/zinc/59/43/39/611594339.db2.gz NDVDJYBUJQDAPY-HUUCEWRRSA-N 1 1 326.462 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000948435606 611594342 /nfs/dbraw/zinc/59/43/42/611594342.db2.gz NDVDJYBUJQDAPY-HUUCEWRRSA-N 1 1 326.462 0.900 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@H]1C ZINC000947558593 611594806 /nfs/dbraw/zinc/59/48/06/611594806.db2.gz CMIPWRPKZMSITI-ZIAGYGMSSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)C[C@@H]1C ZINC000947561306 611596452 /nfs/dbraw/zinc/59/64/52/611596452.db2.gz YXJJKSPURXZCBL-GXTWGEPZSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NCCNc2ccc(C)c[nH+]2)CC1 ZINC000927465039 611605197 /nfs/dbraw/zinc/60/51/97/611605197.db2.gz BTAPMUWBEHQWSV-UHFFFAOYSA-N 1 1 343.431 0.973 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C ZINC000947597823 611613151 /nfs/dbraw/zinc/61/31/51/611613151.db2.gz JCFGHNZMUWPWMB-DGCLKSJQSA-N 1 1 342.407 0.300 20 30 ECEDMO C#CC[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000932389695 611621171 /nfs/dbraw/zinc/62/11/71/611621171.db2.gz CEOPKOFZWWGZEJ-UHFFFAOYSA-N 1 1 337.445 0.336 20 30 ECEDMO C#CC[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000932389695 611621173 /nfs/dbraw/zinc/62/11/73/611621173.db2.gz CEOPKOFZWWGZEJ-UHFFFAOYSA-N 1 1 337.445 0.336 20 30 ECEDMO COc1cc(C#N)ccc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000932458378 611629278 /nfs/dbraw/zinc/62/92/78/611629278.db2.gz KXXHEAGJSPPRGP-UHFFFAOYSA-N 1 1 344.415 0.849 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C[C@@H]1C ZINC000947365359 608593144 /nfs/dbraw/zinc/59/31/44/608593144.db2.gz MHELYKCJBAZPQK-ZFWWWQNUSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000936849284 608620731 /nfs/dbraw/zinc/62/07/31/608620731.db2.gz APBVTDJJTJUYED-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000936849284 608620734 /nfs/dbraw/zinc/62/07/34/608620734.db2.gz APBVTDJJTJUYED-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCOC2(CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000949332708 608641019 /nfs/dbraw/zinc/64/10/19/608641019.db2.gz RRLMVPHEOYRNFM-CYBMUJFWSA-N 1 1 332.404 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000948583604 611660826 /nfs/dbraw/zinc/66/08/26/611660826.db2.gz VRXSLPMNMUDAHV-LBPRGKRZSA-N 1 1 339.417 0.487 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cc[nH]c2)CC1 ZINC000947229408 608791709 /nfs/dbraw/zinc/79/17/09/608791709.db2.gz BPRFHIRDIUCDHH-INIZCTEOSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cc[nH]c2)CC1 ZINC000947229408 608791711 /nfs/dbraw/zinc/79/17/11/608791711.db2.gz BPRFHIRDIUCDHH-INIZCTEOSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccsn2)CC1 ZINC000947229607 608793009 /nfs/dbraw/zinc/79/30/09/608793009.db2.gz FUOUMHIQHGMIRW-HNNXBMFYSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccsn2)CC1 ZINC000947229607 608793011 /nfs/dbraw/zinc/79/30/11/608793011.db2.gz FUOUMHIQHGMIRW-HNNXBMFYSA-N 1 1 346.456 0.962 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934256035 608804006 /nfs/dbraw/zinc/80/40/06/608804006.db2.gz ZEUBBSGYKVZBOV-YFHUEUNASA-N 1 1 336.480 0.960 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934252583 608804280 /nfs/dbraw/zinc/80/42/80/608804280.db2.gz PFHYRQMYSDJOLW-NEWSRXKRSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000934252583 608804282 /nfs/dbraw/zinc/80/42/82/608804282.db2.gz PFHYRQMYSDJOLW-NEWSRXKRSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000934252583 608804285 /nfs/dbraw/zinc/80/42/85/608804285.db2.gz PFHYRQMYSDJOLW-NEWSRXKRSA-N 1 1 345.443 0.829 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C ZINC000947496832 608813975 /nfs/dbraw/zinc/81/39/75/608813975.db2.gz DLKRQWFIVJVNSZ-MNOVXSKESA-N 1 1 325.390 0.143 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C[C@@H]1C ZINC000947712034 611663683 /nfs/dbraw/zinc/66/36/83/611663683.db2.gz ZVTJTVPPZQCPJM-WDEREUQCSA-N 1 1 341.437 0.216 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C[C@H]1C ZINC000947523918 608858187 /nfs/dbraw/zinc/85/81/87/608858187.db2.gz KZNBPMCKVZSPKK-UKRRQHHQSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000936910744 608865337 /nfs/dbraw/zinc/86/53/37/608865337.db2.gz KNLABIJDQPQREY-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000936910744 608865338 /nfs/dbraw/zinc/86/53/38/608865338.db2.gz KNLABIJDQPQREY-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO CC[C@H](CO)[NH+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000179406552 608920252 /nfs/dbraw/zinc/92/02/52/608920252.db2.gz QAZBZDRYRSBIOC-OAHLLOKOSA-N 1 1 330.384 0.682 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000937181128 609020543 /nfs/dbraw/zinc/02/05/43/609020543.db2.gz HBFMVKVVVRLICJ-BPLDGKMQSA-N 1 1 343.431 0.899 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C[C@H]1C ZINC000947760896 611679855 /nfs/dbraw/zinc/67/98/55/611679855.db2.gz BVAYMUOYYSIFBE-KGLIPLIRSA-N 1 1 344.419 0.436 20 30 ECEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCC(=O)N(C)Cc1cnn(C)c1 ZINC000177592848 609087020 /nfs/dbraw/zinc/08/70/20/609087020.db2.gz RMPUAWLJUHKRIQ-ZDUSSCGKSA-N 1 1 336.440 0.542 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000937798497 609090443 /nfs/dbraw/zinc/09/04/43/609090443.db2.gz HTYBPIZSEVIVPQ-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937841083 609115254 /nfs/dbraw/zinc/11/52/54/609115254.db2.gz GQLRGGXWBBSYOU-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC#Cc1ccccc1 ZINC000947310373 609123194 /nfs/dbraw/zinc/12/31/94/609123194.db2.gz PXVQKQRFELCHQW-RDJZCZTQSA-N 1 1 338.415 0.694 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000928453351 611690336 /nfs/dbraw/zinc/69/03/36/611690336.db2.gz JXOFXRPDNUCQEA-WFASDCNBSA-N 1 1 337.445 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2oc(C)nc2C)C1 ZINC000938170882 609483344 /nfs/dbraw/zinc/48/33/44/609483344.db2.gz QYMJLHDRBBVKNV-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2oc(C)nc2C)C1 ZINC000938170882 609483347 /nfs/dbraw/zinc/48/33/47/609483347.db2.gz QYMJLHDRBBVKNV-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCN1CC[C@H](N(C)C(=O)CC[NH+]2CCN(C(C)C)CC2)C1=O ZINC000907960505 609632839 /nfs/dbraw/zinc/63/28/39/609632839.db2.gz SVOYIKVZJRXILY-INIZCTEOSA-N 1 1 336.480 0.648 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000908002945 609634822 /nfs/dbraw/zinc/63/48/22/609634822.db2.gz YMIRVDCNTHGOLD-HUUCEWRRSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000908002945 609634823 /nfs/dbraw/zinc/63/48/23/609634823.db2.gz YMIRVDCNTHGOLD-HUUCEWRRSA-N 1 1 335.429 0.778 20 30 ECEDMO C#CCCCc1nnc(N2CC[NH+](CCOCCOC)CC2)n1C ZINC000908531593 609655518 /nfs/dbraw/zinc/65/55/18/609655518.db2.gz POJAGHFPRZLRRI-UHFFFAOYSA-N 1 1 335.452 0.556 20 30 ECEDMO C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000920017267 609670658 /nfs/dbraw/zinc/67/06/58/609670658.db2.gz APAIVAUVYQXGTL-BBRMVZONSA-N 1 1 336.461 0.612 20 30 ECEDMO C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920017267 609670659 /nfs/dbraw/zinc/67/06/59/609670659.db2.gz APAIVAUVYQXGTL-BBRMVZONSA-N 1 1 336.461 0.612 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000920190638 609675324 /nfs/dbraw/zinc/67/53/24/609675324.db2.gz FLWLGZZEJJSLHG-IRXDYDNUSA-N 1 1 344.459 0.881 20 30 ECEDMO C#CCCS(=O)(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000920303708 609679276 /nfs/dbraw/zinc/67/92/76/609679276.db2.gz RLLPPPYFFMBRHG-WCVJEAGWSA-N 1 1 328.478 0.799 20 30 ECEDMO CCn1cc(C(C)=NNC(=S)NCCC[NH+]2CCOCC2)cn1 ZINC000920984414 609696477 /nfs/dbraw/zinc/69/64/77/609696477.db2.gz FMQNVJWLBHUUOL-UHFFFAOYSA-N 1 1 338.481 0.813 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921321279 609702633 /nfs/dbraw/zinc/70/26/33/609702633.db2.gz CCPUKWSCCQFMKB-OLZOCXBDSA-N 1 1 332.495 0.636 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921321279 609702634 /nfs/dbraw/zinc/70/26/34/609702634.db2.gz CCPUKWSCCQFMKB-OLZOCXBDSA-N 1 1 332.495 0.636 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC000947324821 609707766 /nfs/dbraw/zinc/70/77/66/609707766.db2.gz VVWXZXZWDRHOIA-STQMWFEESA-N 1 1 334.424 0.312 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)n(C)c2)CC1 ZINC000921438833 609716765 /nfs/dbraw/zinc/71/67/65/609716765.db2.gz KSIKEUUGXLJZBQ-UHFFFAOYSA-N 1 1 339.417 0.188 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000947761925 609734387 /nfs/dbraw/zinc/73/43/87/609734387.db2.gz SHTVWKRDTOJYPZ-QWHCGFSZSA-N 1 1 334.420 0.243 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000938387535 609769145 /nfs/dbraw/zinc/76/91/45/609769145.db2.gz RSOHCCVUAMDQMM-MSOLQXFVSA-N 1 1 339.439 0.879 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1)C1CC[NH+](C)CC1 ZINC000910887099 609773629 /nfs/dbraw/zinc/77/36/29/609773629.db2.gz ZGNAXDYTOMJGCF-QGZVFWFLSA-N 1 1 344.459 0.015 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)CC(C)(C)C#N ZINC000914041661 609846347 /nfs/dbraw/zinc/84/63/47/609846347.db2.gz SMBZMVWCNSBVKJ-CYBMUJFWSA-N 1 1 344.481 0.398 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)CC(C)(C)C#N ZINC000914041661 609846349 /nfs/dbraw/zinc/84/63/49/609846349.db2.gz SMBZMVWCNSBVKJ-CYBMUJFWSA-N 1 1 344.481 0.398 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CCN(C(=O)C#CC3CC3)C1)CC2 ZINC000938554673 609867640 /nfs/dbraw/zinc/86/76/40/609867640.db2.gz SOFZEKICWQRAKE-HOTGVXAUSA-N 1 1 340.427 0.884 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000914251050 609869992 /nfs/dbraw/zinc/86/99/92/609869992.db2.gz JVGSWAXTRVCZOJ-KRWDZBQOSA-N 1 1 331.416 0.702 20 30 ECEDMO COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000911720270 609907414 /nfs/dbraw/zinc/90/74/14/609907414.db2.gz XNZJXFNRKKIUSL-IYBDPMFKSA-N 1 1 340.468 0.416 20 30 ECEDMO CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)CC1 ZINC000911714566 609907476 /nfs/dbraw/zinc/90/74/76/609907476.db2.gz SCWFKIIOPDPBLS-CALCHBBNSA-N 1 1 335.496 0.847 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)C1 ZINC000912294835 609944677 /nfs/dbraw/zinc/94/46/77/609944677.db2.gz HOYLAESLBDLBNQ-IBGZPJMESA-N 1 1 341.459 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn([C@@H]3COC[C@H]3OCC)nn2)C1 ZINC000923598919 609963981 /nfs/dbraw/zinc/96/39/81/609963981.db2.gz YNNVFIZJJYCVBE-NUEKZKHPSA-N 1 1 347.419 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn([C@@H]3COC[C@H]3OCC)nn2)C1 ZINC000923598919 609963984 /nfs/dbraw/zinc/96/39/84/609963984.db2.gz YNNVFIZJJYCVBE-NUEKZKHPSA-N 1 1 347.419 0.082 20 30 ECEDMO CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000912604311 609976009 /nfs/dbraw/zinc/97/60/09/609976009.db2.gz YOYOJWQCHAQQLO-OAHLLOKOSA-N 1 1 348.422 0.906 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cncn2C)C1 ZINC000938797813 610010182 /nfs/dbraw/zinc/01/01/82/610010182.db2.gz CSIOCJQMSVWFJF-GJZGRUSLSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cncn2C)C1 ZINC000938797813 610010186 /nfs/dbraw/zinc/01/01/86/610010186.db2.gz CSIOCJQMSVWFJF-GJZGRUSLSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CCC1(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC1 ZINC000919060913 610029623 /nfs/dbraw/zinc/02/96/23/610029623.db2.gz PUBNQAFNEHSHPJ-MRXNPFEDSA-N 1 1 334.464 0.638 20 30 ECEDMO C=CCOc1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1OC ZINC000913190553 610050085 /nfs/dbraw/zinc/05/00/85/610050085.db2.gz FAOAKIIOCQWEBB-QGZVFWFLSA-N 1 1 336.388 0.341 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccncn2)C1 ZINC000939242268 610130883 /nfs/dbraw/zinc/13/08/83/610130883.db2.gz LOGITGPGZQMZLE-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccncn2)C1 ZINC000939242268 610130884 /nfs/dbraw/zinc/13/08/84/610130884.db2.gz LOGITGPGZQMZLE-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000939812827 610137621 /nfs/dbraw/zinc/13/76/21/610137621.db2.gz RUDSQUYVYUPMJP-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000939812827 610137623 /nfs/dbraw/zinc/13/76/23/610137623.db2.gz RUDSQUYVYUPMJP-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(CC)nn3)C2)nn1 ZINC000939277387 610146730 /nfs/dbraw/zinc/14/67/30/610146730.db2.gz OXEAJFKPAJTXGM-TZMCWYRMSA-N 1 1 344.423 0.326 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000940049923 610196243 /nfs/dbraw/zinc/19/62/43/610196243.db2.gz MUBGKQVOAHCZGZ-KCQAQPDRSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940063036 610199069 /nfs/dbraw/zinc/19/90/69/610199069.db2.gz VOHITRGEDVVXOC-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940063516 610199149 /nfs/dbraw/zinc/19/91/49/610199149.db2.gz GQLRGGXWBBSYOU-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940095379 610207028 /nfs/dbraw/zinc/20/70/28/610207028.db2.gz RUIUVTGDBJNLKY-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940095379 610207030 /nfs/dbraw/zinc/20/70/30/610207030.db2.gz RUIUVTGDBJNLKY-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(CC)nn3)C2)nc1 ZINC000939568910 610240232 /nfs/dbraw/zinc/24/02/32/610240232.db2.gz VYJMBQGACTZUBZ-CXAGYDPISA-N 1 1 338.415 0.925 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC000940504674 610293030 /nfs/dbraw/zinc/29/30/30/610293030.db2.gz ABXUVVUBCUAUSP-CYBMUJFWSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3ccnn3C)CC2)C1 ZINC000941410709 610301985 /nfs/dbraw/zinc/30/19/85/610301985.db2.gz NMQBENOVSKQAIQ-HNNXBMFYSA-N 1 1 329.448 0.375 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnc(N(C)C)cn3)CC2)C1 ZINC000941410707 610302022 /nfs/dbraw/zinc/30/20/22/610302022.db2.gz NLMJIPCZOLDSNO-UHFFFAOYSA-N 1 1 344.463 0.561 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cn3ccc(C)n3)CC2)C1 ZINC000941423496 610308313 /nfs/dbraw/zinc/30/83/13/610308313.db2.gz ZYERJDQMPOUFIJ-OAHLLOKOSA-N 1 1 331.464 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccsn2)CC1 ZINC000941432409 610312952 /nfs/dbraw/zinc/31/29/52/610312952.db2.gz PCFHGMYRNDZIAU-HNNXBMFYSA-N 1 1 346.456 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccsn2)CC1 ZINC000941432409 610312954 /nfs/dbraw/zinc/31/29/54/610312954.db2.gz PCFHGMYRNDZIAU-HNNXBMFYSA-N 1 1 346.456 0.915 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn4ccncc34)CC2)C1 ZINC000941438403 610315834 /nfs/dbraw/zinc/31/58/34/610315834.db2.gz VQDOHNXOADYXAO-UHFFFAOYSA-N 1 1 326.404 0.357 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3COC)CC2)C1 ZINC000941463277 610321755 /nfs/dbraw/zinc/32/17/55/610321755.db2.gz PIRNUXVUWSWGGQ-UHFFFAOYSA-N 1 1 345.447 0.032 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000940647440 610322605 /nfs/dbraw/zinc/32/26/05/610322605.db2.gz VRJSOJZFBORRIH-AWEZNQCLSA-N 1 1 343.431 0.903 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940685609 610335199 /nfs/dbraw/zinc/33/51/99/610335199.db2.gz DNYNTMSHPODZJB-AWEZNQCLSA-N 1 1 331.420 0.805 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000940756383 610358633 /nfs/dbraw/zinc/35/86/33/610358633.db2.gz XEVQHSQYWYWGPQ-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941531600 610363151 /nfs/dbraw/zinc/36/31/51/610363151.db2.gz AKWATDCGGBGIQD-GOSISDBHSA-N 1 1 346.519 0.960 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000940789691 610363803 /nfs/dbraw/zinc/36/38/03/610363803.db2.gz XMVMNODTYKPIBF-HIFRSBDPSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CCN1CC(N2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000941532511 610363823 /nfs/dbraw/zinc/36/38/23/610363823.db2.gz ZOZKKFZWQLOIST-QGZVFWFLSA-N 1 1 336.480 0.110 20 30 ECEDMO C=CCN1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000941532511 610363825 /nfs/dbraw/zinc/36/38/25/610363825.db2.gz ZOZKKFZWQLOIST-QGZVFWFLSA-N 1 1 336.480 0.110 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941533757 610365133 /nfs/dbraw/zinc/36/51/33/610365133.db2.gz IBKLTZOEOVGQRQ-IRXDYDNUSA-N 1 1 332.492 0.568 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1 ZINC000942260679 610365438 /nfs/dbraw/zinc/36/54/38/610365438.db2.gz ZIEIXBHAIXDSIW-GHMZBOCLSA-N 1 1 325.390 0.000 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C3C[NH+](CCOC)C3)CC2)c1 ZINC000941559979 610382322 /nfs/dbraw/zinc/38/23/22/610382322.db2.gz RBYPRONDHVPTBO-UHFFFAOYSA-N 1 1 328.416 0.151 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C(=O)N3[C@H](C)CCC[C@H]3C)CC2)C1 ZINC000941614590 610410484 /nfs/dbraw/zinc/41/04/84/610410484.db2.gz FEGHQRKXCMSZPL-HZPDHXFCSA-N 1 1 348.491 0.790 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn4c3CCCC4)CC2)C1 ZINC000941630202 610417279 /nfs/dbraw/zinc/41/72/79/610417279.db2.gz HPIPUNCYQMXRLC-UHFFFAOYSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)COc3ccsc3)CC2)C1 ZINC000941640761 610417437 /nfs/dbraw/zinc/41/74/37/610417437.db2.gz AEGKKESITUXSLI-UHFFFAOYSA-N 1 1 333.457 0.979 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940892495 610419214 /nfs/dbraw/zinc/41/92/14/610419214.db2.gz FGJIFWPEFHXWGQ-AWEZNQCLSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cc3cnn(CC)c3)CC2)C1 ZINC000941634873 610420348 /nfs/dbraw/zinc/42/03/48/610420348.db2.gz LTOQERNYSCFTEJ-UHFFFAOYSA-N 1 1 331.464 0.850 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC000941620405 610425434 /nfs/dbraw/zinc/42/54/34/610425434.db2.gz GGIBXTGELLCWAP-UHFFFAOYSA-N 1 1 331.420 0.132 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cn(CC4CC4)nn3)CC2)C1 ZINC000941621886 610426280 /nfs/dbraw/zinc/42/62/80/610426280.db2.gz DSYFKTYMBNWURO-UHFFFAOYSA-N 1 1 330.436 0.316 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)nn3)CC2)C1 ZINC000941643701 610437084 /nfs/dbraw/zinc/43/70/84/610437084.db2.gz ZBTGSJLEYQQVTM-UHFFFAOYSA-N 1 1 344.463 0.561 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000941653168 610442873 /nfs/dbraw/zinc/44/28/73/610442873.db2.gz GCXVOMVJZUYSNP-MRXNPFEDSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)N3CCCCC3=O)CC2)C1 ZINC000941677921 610450887 /nfs/dbraw/zinc/45/08/87/610450887.db2.gz YOVDNCSDWOCEIM-OAHLLOKOSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000941678297 610451407 /nfs/dbraw/zinc/45/14/07/610451407.db2.gz ZIRWWVHCVPJVBP-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)C1 ZINC000941678903 610452192 /nfs/dbraw/zinc/45/21/92/610452192.db2.gz NUMUSEFIZMFIRJ-LJQANCHMSA-N 1 1 340.471 0.751 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC000942431587 610456294 /nfs/dbraw/zinc/45/62/94/610456294.db2.gz JLZADZSZKXVRRP-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cn(CC)cn2)C1 ZINC000941701591 610469623 /nfs/dbraw/zinc/46/96/23/610469623.db2.gz CFBWTQBDHXWOLO-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cn(CC)cn2)C1 ZINC000941701591 610469625 /nfs/dbraw/zinc/46/96/25/610469625.db2.gz CFBWTQBDHXWOLO-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO O=C(C#CC1CC1)N1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000940999745 610478318 /nfs/dbraw/zinc/47/83/18/610478318.db2.gz RBRAKMVQBUFHRR-SJORKVTESA-N 1 1 345.443 0.324 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)c1 ZINC000941015735 610495455 /nfs/dbraw/zinc/49/54/55/610495455.db2.gz SKGMYPVBHADERH-HZPDHXFCSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](C)C1 ZINC000942530802 610501559 /nfs/dbraw/zinc/50/15/59/610501559.db2.gz VXGLCVNNDJQARE-TZMCWYRMSA-N 1 1 325.376 0.131 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](C)C1 ZINC000942543038 610505870 /nfs/dbraw/zinc/50/58/70/610505870.db2.gz ODAGBBHIZBNPJO-LSDHHAIUSA-N 1 1 341.415 0.346 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](C)C1 ZINC000942548608 610508580 /nfs/dbraw/zinc/50/85/80/610508580.db2.gz VPOKKERZQQWNAK-DGCLKSJQSA-N 1 1 342.407 0.157 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 ZINC000941069131 610525415 /nfs/dbraw/zinc/52/54/15/610525415.db2.gz YZMRKQGXRNILLX-AWEZNQCLSA-N 1 1 348.447 0.490 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@H]1NC(=O)C(N)=O ZINC000942590765 610525995 /nfs/dbraw/zinc/52/59/95/610525995.db2.gz ADOXIGIIBRLMGQ-IUODEOHRSA-N 1 1 330.388 0.401 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@H]1NC(=O)C(N)=O ZINC000942590766 610526319 /nfs/dbraw/zinc/52/63/19/610526319.db2.gz ADOXIGIIBRLMGQ-SWLSCSKDSA-N 1 1 330.388 0.401 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941091583 610532307 /nfs/dbraw/zinc/53/23/07/610532307.db2.gz XHSDOYXNKJXODH-KBPBESRZSA-N 1 1 341.477 0.260 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000941091885 610532406 /nfs/dbraw/zinc/53/24/06/610532406.db2.gz VNQKLEWBXXKWHC-CQSZACIVSA-N 1 1 346.435 0.090 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3nnc[nH]3)C(C)(C)C2)C1=O ZINC000941110984 610542799 /nfs/dbraw/zinc/54/27/99/610542799.db2.gz NJHXWTOZFXAGKY-QWHCGFSZSA-N 1 1 346.435 0.422 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000941879586 610550255 /nfs/dbraw/zinc/55/02/55/610550255.db2.gz IXQQBXFSGFLRPA-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929204 610567115 /nfs/dbraw/zinc/56/71/15/610567115.db2.gz JINJSFPFLPTUOO-RISCZKNCSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929204 610567118 /nfs/dbraw/zinc/56/71/18/610567118.db2.gz JINJSFPFLPTUOO-RISCZKNCSA-N 1 1 327.392 0.655 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000941145276 610572264 /nfs/dbraw/zinc/57/22/64/610572264.db2.gz NUKSROIPYZXCFX-ZDUSSCGKSA-N 1 1 348.447 0.557 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H](C)C1 ZINC000942723956 610587198 /nfs/dbraw/zinc/58/71/98/610587198.db2.gz RGJXMZCUIWBTOK-HUUCEWRRSA-N 1 1 344.459 0.987 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C(C)(C)C1 ZINC000941217658 610601588 /nfs/dbraw/zinc/60/15/88/610601588.db2.gz RWQGXRINNCDCLX-CQSZACIVSA-N 1 1 340.431 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2[nH]c(C)nc2C)C1 ZINC000941241787 610614782 /nfs/dbraw/zinc/61/47/82/610614782.db2.gz KGNOMRPLELBKIL-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2[nH]c(C)nc2C)C1 ZINC000941241787 610614785 /nfs/dbraw/zinc/61/47/85/610614785.db2.gz KGNOMRPLELBKIL-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC000941242162 610615432 /nfs/dbraw/zinc/61/54/32/610615432.db2.gz XOAZJOSRSSLFCT-MCIONIFRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC000941242162 610615433 /nfs/dbraw/zinc/61/54/33/610615433.db2.gz XOAZJOSRSSLFCT-MCIONIFRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000941245314 610616205 /nfs/dbraw/zinc/61/62/05/610616205.db2.gz MXFRZDGRVSPATN-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000941245314 610616206 /nfs/dbraw/zinc/61/62/06/610616206.db2.gz MXFRZDGRVSPATN-HIFRSBDPSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2ncc[nH]2)C1 ZINC000942779209 610617383 /nfs/dbraw/zinc/61/73/83/610617383.db2.gz PBKWKUZVKSFODY-CABCVRRESA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2ncc[nH]2)C1 ZINC000942779209 610617384 /nfs/dbraw/zinc/61/73/84/610617384.db2.gz PBKWKUZVKSFODY-CABCVRRESA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000941237949 610621698 /nfs/dbraw/zinc/62/16/98/610621698.db2.gz MRETUOWPLUKBTO-CVEARBPZSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000941237949 610621700 /nfs/dbraw/zinc/62/17/00/610621700.db2.gz MRETUOWPLUKBTO-CVEARBPZSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC(F)(F)F)C1 ZINC000941238281 610622202 /nfs/dbraw/zinc/62/22/02/610622202.db2.gz XITAVMQKQVJXCN-NEPJUHHUSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC(F)(F)F)C1 ZINC000941238281 610622204 /nfs/dbraw/zinc/62/22/04/610622204.db2.gz XITAVMQKQVJXCN-NEPJUHHUSA-N 1 1 331.338 0.754 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942058607 610636633 /nfs/dbraw/zinc/63/66/33/610636633.db2.gz ZCFDJNUQXCFRFH-BBRMVZONSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@H](C)C1 ZINC000942118811 610661801 /nfs/dbraw/zinc/66/18/01/610661801.db2.gz ZDASPGUSNYSIOD-DGCLKSJQSA-N 1 1 327.388 0.747 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000942186822 610688443 /nfs/dbraw/zinc/68/84/43/610688443.db2.gz AILQGQCFPKTRHH-PWSUYJOCSA-N 1 1 325.390 0.000 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000941391033 610705041 /nfs/dbraw/zinc/70/50/41/610705041.db2.gz SDODQQHWXJUCDF-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC000942236957 610711937 /nfs/dbraw/zinc/71/19/37/610711937.db2.gz ACWYVIFCJFURNA-CABCVRRESA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC000942236957 610711940 /nfs/dbraw/zinc/71/19/40/610711940.db2.gz ACWYVIFCJFURNA-CABCVRRESA-N 1 1 330.388 0.032 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000942245778 610718043 /nfs/dbraw/zinc/71/80/43/610718043.db2.gz RHYAOAJCLQSLTI-AEGPPILISA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000941398469 610718296 /nfs/dbraw/zinc/71/82/96/610718296.db2.gz UONBDIPZNVSHBT-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO O=C(C#CC1CC1)N1CCN(C2C[NH+](C[C@H]3CCCCO3)C2)CC1 ZINC000941401185 610719452 /nfs/dbraw/zinc/71/94/52/610719452.db2.gz WOZXBPRQVLMECW-GOSISDBHSA-N 1 1 331.460 0.797 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000943228973 610755404 /nfs/dbraw/zinc/75/54/04/610755404.db2.gz AFWUFWODACSMBZ-UKRRQHHQSA-N 1 1 348.447 0.490 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H](C)C1 ZINC000943229854 610756039 /nfs/dbraw/zinc/75/60/39/610756039.db2.gz FDTCADCFVAJDEY-KBPBESRZSA-N 1 1 344.419 0.294 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000943231789 610758143 /nfs/dbraw/zinc/75/81/43/610758143.db2.gz KWKBKQDPBKMIJV-GXTWGEPZSA-N 1 1 334.420 0.100 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H](C)C1 ZINC000943234705 610760365 /nfs/dbraw/zinc/76/03/65/610760365.db2.gz VZQDTTZSFSWITA-UONOGXRCSA-N 1 1 344.419 0.294 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cncs2)CC1 ZINC000944838321 610803447 /nfs/dbraw/zinc/80/34/47/610803447.db2.gz IBQZXVLAZYDRTE-AWEZNQCLSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cncs2)CC1 ZINC000944838321 610803448 /nfs/dbraw/zinc/80/34/48/610803448.db2.gz IBQZXVLAZYDRTE-AWEZNQCLSA-N 1 1 346.456 0.962 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000944894644 610821448 /nfs/dbraw/zinc/82/14/48/610821448.db2.gz XBJJSRIZBSHDTE-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000944894644 610821449 /nfs/dbraw/zinc/82/14/49/610821449.db2.gz XBJJSRIZBSHDTE-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC12CC2 ZINC000944329846 610840112 /nfs/dbraw/zinc/84/01/12/610840112.db2.gz RGLNSCXLYJBGMW-PMPSAXMXSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC12CC2 ZINC000944329846 610840114 /nfs/dbraw/zinc/84/01/14/610840114.db2.gz RGLNSCXLYJBGMW-PMPSAXMXSA-N 1 1 329.444 0.991 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000944414941 610857637 /nfs/dbraw/zinc/85/76/37/610857637.db2.gz PQHDLXHDXYKDRW-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000944414941 610857638 /nfs/dbraw/zinc/85/76/38/610857638.db2.gz PQHDLXHDXYKDRW-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)C[C@@H]2C)nn1 ZINC000943480487 610867889 /nfs/dbraw/zinc/86/78/89/610867889.db2.gz DHLLZQFLUSOZGJ-ZFWWWQNUSA-N 1 1 343.435 0.838 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000945036096 610890600 /nfs/dbraw/zinc/89/06/00/610890600.db2.gz WMYHFABHRSMBNF-RBSFLKMASA-N 1 1 348.447 0.316 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000945036096 610890602 /nfs/dbraw/zinc/89/06/02/610890602.db2.gz WMYHFABHRSMBNF-RBSFLKMASA-N 1 1 348.447 0.316 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC000945056583 610894916 /nfs/dbraw/zinc/89/49/16/610894916.db2.gz WFYFXFRIERKIDS-LSDHHAIUSA-N 1 1 332.448 0.939 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 ZINC000944493559 610896655 /nfs/dbraw/zinc/89/66/55/610896655.db2.gz VTHVVWKNZZQPDL-GXFFZTMASA-N 1 1 341.843 0.469 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 ZINC000944493559 610896658 /nfs/dbraw/zinc/89/66/58/610896658.db2.gz VTHVVWKNZZQPDL-GXFFZTMASA-N 1 1 341.843 0.469 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000944519468 610926218 /nfs/dbraw/zinc/92/62/18/610926218.db2.gz LBSRGGMNHOQELY-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cccnc1 ZINC000943828819 610992764 /nfs/dbraw/zinc/99/27/64/610992764.db2.gz KTLXCQHOXFRCAF-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cccnc1 ZINC000943828819 610992766 /nfs/dbraw/zinc/99/27/66/610992766.db2.gz KTLXCQHOXFRCAF-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000944600643 611008139 /nfs/dbraw/zinc/00/81/39/611008139.db2.gz LAMBLRVNWWCLLD-HUUCEWRRSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 ZINC000944032265 611097063 /nfs/dbraw/zinc/09/70/63/611097063.db2.gz GIOBBSQSHKOYLE-ZIAGYGMSSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccns1 ZINC000944060105 611108158 /nfs/dbraw/zinc/10/81/58/611108158.db2.gz IVTMMAWZNXHUQM-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccns1 ZINC000944060105 611108161 /nfs/dbraw/zinc/10/81/61/611108161.db2.gz IVTMMAWZNXHUQM-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC000944101678 611124514 /nfs/dbraw/zinc/12/45/14/611124514.db2.gz YLODDYOHLGBGHJ-RDBSUJKOSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC000944101678 611124516 /nfs/dbraw/zinc/12/45/16/611124516.db2.gz YLODDYOHLGBGHJ-RDBSUJKOSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC000944097623 611130852 /nfs/dbraw/zinc/13/08/52/611130852.db2.gz HEAMADDOBSAMQX-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC000944097623 611130854 /nfs/dbraw/zinc/13/08/54/611130854.db2.gz HEAMADDOBSAMQX-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]2C1 ZINC000946824461 611174521 /nfs/dbraw/zinc/17/45/21/611174521.db2.gz NYYSBYRXTYWGSC-OKILXGFUSA-N 1 1 334.420 0.285 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3nc4ncccn4n3)CC[C@@H]2C1 ZINC000946826618 611176220 /nfs/dbraw/zinc/17/62/20/611176220.db2.gz ITHCEHIQYDBKOD-GASCZTMLSA-N 1 1 338.415 0.932 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)CC[C@@H]2C1 ZINC000946877875 611218260 /nfs/dbraw/zinc/21/82/60/611218260.db2.gz CHLJFRFKQWUQDO-BBWFWOEESA-N 1 1 333.432 0.037 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C(C)=O)CC[C@@H]2C1 ZINC000946897194 611237410 /nfs/dbraw/zinc/23/74/10/611237410.db2.gz WXXVODHELGHORE-BBWFWOEESA-N 1 1 335.448 0.590 20 30 ECEDMO N#Cc1ccc([C@@H](O)CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413094 611240565 /nfs/dbraw/zinc/24/05/65/611240565.db2.gz BLDCKKQSTFILNM-NCOADZHNSA-N 1 1 342.399 0.459 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nnn(Cc3ccncc3)c2C)C1 ZINC000923560395 611261908 /nfs/dbraw/zinc/26/19/08/611261908.db2.gz VCTHXSOGRZKKLI-MRXNPFEDSA-N 1 1 338.415 0.857 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nnn(Cc3ccncc3)c2C)C1 ZINC000923560395 611261909 /nfs/dbraw/zinc/26/19/09/611261909.db2.gz VCTHXSOGRZKKLI-MRXNPFEDSA-N 1 1 338.415 0.857 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000923557722 611262681 /nfs/dbraw/zinc/26/26/81/611262681.db2.gz OCMWMOLFVFXVSN-HNNXBMFYSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC000923557961 611262672 /nfs/dbraw/zinc/26/26/72/611262672.db2.gz PHYZCXJIATZRCG-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC000923557961 611262673 /nfs/dbraw/zinc/26/26/73/611262673.db2.gz PHYZCXJIATZRCG-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000923557722 611262682 /nfs/dbraw/zinc/26/26/82/611262682.db2.gz OCMWMOLFVFXVSN-HNNXBMFYSA-N 1 1 341.477 0.262 20 30 ECEDMO CS(=O)(=O)NCC[NH2+]Cc1cc(C#N)ccc1Br ZINC000921600663 611263069 /nfs/dbraw/zinc/26/30/69/611263069.db2.gz BGRRLULRANCZJA-UHFFFAOYSA-N 1 1 332.223 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000923580440 611268790 /nfs/dbraw/zinc/26/87/90/611268790.db2.gz CMHXVXMHHAISTP-NVXWUHKLSA-N 1 1 340.427 0.644 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000923580440 611268792 /nfs/dbraw/zinc/26/87/92/611268792.db2.gz CMHXVXMHHAISTP-NVXWUHKLSA-N 1 1 340.427 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000923589123 611270380 /nfs/dbraw/zinc/27/03/80/611270380.db2.gz NLWCQEZTPHKIOX-QGZVFWFLSA-N 1 1 327.428 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000923589123 611270382 /nfs/dbraw/zinc/27/03/82/611270382.db2.gz NLWCQEZTPHKIOX-QGZVFWFLSA-N 1 1 327.428 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000923589388 611270630 /nfs/dbraw/zinc/27/06/30/611270630.db2.gz PYNWXVQLLSPBCO-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000923589388 611270632 /nfs/dbraw/zinc/27/06/32/611270632.db2.gz PYNWXVQLLSPBCO-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(N3CCOCC3)ccn2)C1 ZINC000923590971 611271067 /nfs/dbraw/zinc/27/10/67/611271067.db2.gz KBSHDYGXWGFVCT-HNNXBMFYSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(N3CCOCC3)ccn2)C1 ZINC000923590971 611271069 /nfs/dbraw/zinc/27/10/69/611271069.db2.gz KBSHDYGXWGFVCT-HNNXBMFYSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000834578896 611293771 /nfs/dbraw/zinc/29/37/71/611293771.db2.gz GLUGWLVWZLNPOY-KRWDZBQOSA-N 1 1 348.491 0.392 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2CC1 ZINC000946514524 611294796 /nfs/dbraw/zinc/29/47/96/611294796.db2.gz FVNOYYBOIXHYML-SOUVJXGZSA-N 1 1 346.431 0.465 20 30 ECEDMO C#CC1CC[NH+](CN2C(=O)N[C@@](C)(CCC(=O)OCC)C2=O)CC1 ZINC000842636346 611318287 /nfs/dbraw/zinc/31/82/87/611318287.db2.gz HUSVVGIHDCEUPE-KRWDZBQOSA-N 1 1 335.404 0.943 20 30 ECEDMO C[N@@H+](CCNC(=O)c1cc2ccccc2n1CC#N)CCOCCO ZINC000922121040 611337393 /nfs/dbraw/zinc/33/73/93/611337393.db2.gz RBXUKQQMIHMYRC-UHFFFAOYSA-N 1 1 344.415 0.835 20 30 ECEDMO O=C(C#Cc1ccccc1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922344529 611347587 /nfs/dbraw/zinc/34/75/87/611347587.db2.gz PQSMAMQFUYSDEA-LJQANCHMSA-N 1 1 341.455 0.951 20 30 ECEDMO C#CCN(C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1)C1CC[NH+](C)CC1 ZINC000922438375 611350678 /nfs/dbraw/zinc/35/06/78/611350678.db2.gz WWURXACQHFYHGL-ZDUSSCGKSA-N 1 1 341.477 0.691 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1 ZINC000933760483 611747848 /nfs/dbraw/zinc/74/78/48/611747848.db2.gz SVRHPWCSULIREX-YJBOKZPZSA-N 1 1 326.400 0.762 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)nc1 ZINC000947968870 611759768 /nfs/dbraw/zinc/75/97/68/611759768.db2.gz RTCGYAWXJXQRPD-XYPHTWIQSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000929664919 611778607 /nfs/dbraw/zinc/77/86/07/611778607.db2.gz JLUBLICYQNTDGW-HNNXBMFYSA-N 1 1 335.429 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccon2)C1 ZINC000950645383 611814478 /nfs/dbraw/zinc/81/44/78/611814478.db2.gz UKYIKYUGSKWLJU-YUELXQCFSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccon2)C1 ZINC000950645383 611814482 /nfs/dbraw/zinc/81/44/82/611814482.db2.gz UKYIKYUGSKWLJU-YUELXQCFSA-N 1 1 330.388 0.349 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)nc1 ZINC000950074354 611858087 /nfs/dbraw/zinc/85/80/87/611858087.db2.gz OBABETGKNNIFDO-HUUCEWRRSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccn(CC)n1 ZINC000950755753 611891138 /nfs/dbraw/zinc/89/11/38/611891138.db2.gz TWTPFBYTVHVWFN-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccn(CC)n1 ZINC000950755753 611891141 /nfs/dbraw/zinc/89/11/41/611891141.db2.gz TWTPFBYTVHVWFN-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC(C)(F)F ZINC000950755744 611891146 /nfs/dbraw/zinc/89/11/46/611891146.db2.gz SWKCRFMDQACUAG-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC(C)(F)F ZINC000950755744 611891148 /nfs/dbraw/zinc/89/11/48/611891148.db2.gz SWKCRFMDQACUAG-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CCc1cnn(C)c1)CCO2 ZINC000949320019 611937872 /nfs/dbraw/zinc/93/78/72/611937872.db2.gz DMMHWFBXRYPOGW-HNNXBMFYSA-N 1 1 345.447 0.816 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CCc1cnn(C)c1)CCO2 ZINC000949320019 611937873 /nfs/dbraw/zinc/93/78/73/611937873.db2.gz DMMHWFBXRYPOGW-HNNXBMFYSA-N 1 1 345.447 0.816 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370415 611954559 /nfs/dbraw/zinc/95/45/59/611954559.db2.gz RFHCMXZMMOKECI-IRXDYDNUSA-N 1 1 347.459 0.176 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949379295 611957463 /nfs/dbraw/zinc/95/74/63/611957463.db2.gz WJLXJYROWWBHJH-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949379295 611957466 /nfs/dbraw/zinc/95/74/66/611957466.db2.gz WJLXJYROWWBHJH-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC000949379158 611957639 /nfs/dbraw/zinc/95/76/39/611957639.db2.gz QDONTJFBZXSNFK-OAHLLOKOSA-N 1 1 333.432 0.181 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC000949379158 611957640 /nfs/dbraw/zinc/95/76/40/611957640.db2.gz QDONTJFBZXSNFK-OAHLLOKOSA-N 1 1 333.432 0.181 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950321322 611970307 /nfs/dbraw/zinc/97/03/07/611970307.db2.gz ZOFXKWQYPVYNFP-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](OC)[C@H]3CCOC3)CC2)C1 ZINC000949427662 611976249 /nfs/dbraw/zinc/97/62/49/611976249.db2.gz TXRHDZGTIAZWRZ-JKSUJKDBSA-N 1 1 338.448 0.917 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H](OC)[C@H]3CCOC3)CC2)C1 ZINC000949427662 611976251 /nfs/dbraw/zinc/97/62/51/611976251.db2.gz TXRHDZGTIAZWRZ-JKSUJKDBSA-N 1 1 338.448 0.917 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC000949450605 611985308 /nfs/dbraw/zinc/98/53/08/611985308.db2.gz AYSADEHUSGNDOE-UHFFFAOYSA-N 1 1 332.404 0.653 20 30 ECEDMO C#CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000949471303 611991736 /nfs/dbraw/zinc/99/17/36/611991736.db2.gz XCKZFXRECOYCMU-IAGOWNOFSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCCN1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000949471303 611991743 /nfs/dbraw/zinc/99/17/43/611991743.db2.gz XCKZFXRECOYCMU-IAGOWNOFSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCCN1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000949471303 611991746 /nfs/dbraw/zinc/99/17/46/611991746.db2.gz XCKZFXRECOYCMU-IAGOWNOFSA-N 1 1 333.476 0.901 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949485382 611999798 /nfs/dbraw/zinc/99/97/98/611999798.db2.gz DZGWQJXYNTUMLC-HUUCEWRRSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)c2ccn[nH]2)CC1 ZINC000950427429 612014741 /nfs/dbraw/zinc/01/47/41/612014741.db2.gz CNVJLCIUXDNJFL-AWEZNQCLSA-N 1 1 329.404 0.086 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000949514301 612016935 /nfs/dbraw/zinc/01/69/35/612016935.db2.gz VCNRHNUKSZNVAY-ZNEHSRBWSA-N 1 1 343.431 0.803 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000950481560 612035167 /nfs/dbraw/zinc/03/51/67/612035167.db2.gz DDJIYGJYGMPYMR-VHDGCEQUSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1nnnn1CC(F)(F)F ZINC000191493337 612040996 /nfs/dbraw/zinc/04/09/96/612040996.db2.gz LZHUNMBGUNAMMA-SECBINFHSA-N 1 1 335.334 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(CCN2CCCC2=O)C1 ZINC000950533216 612057714 /nfs/dbraw/zinc/05/77/14/612057714.db2.gz DNYNRYNQQMIGKX-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(CCN2CCCC2=O)C1 ZINC000950533216 612057715 /nfs/dbraw/zinc/05/77/15/612057715.db2.gz DNYNRYNQQMIGKX-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cc(C)ncn2)C1 ZINC000950533437 612057903 /nfs/dbraw/zinc/05/79/03/612057903.db2.gz FJXHTMFYHNOBBB-SFHVURJKSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cc(C)ncn2)C1 ZINC000950533437 612057905 /nfs/dbraw/zinc/05/79/05/612057905.db2.gz FJXHTMFYHNOBBB-SFHVURJKSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nncs2)C1 ZINC000950534071 612057990 /nfs/dbraw/zinc/05/79/90/612057990.db2.gz QNBBIOTUWXGSLU-AWEZNQCLSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nncs2)C1 ZINC000950534071 612057991 /nfs/dbraw/zinc/05/79/91/612057991.db2.gz QNBBIOTUWXGSLU-AWEZNQCLSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC000951223351 612088028 /nfs/dbraw/zinc/08/80/28/612088028.db2.gz FFADVCMUTQRLQI-JSGCOSHPSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC000951223351 612088031 /nfs/dbraw/zinc/08/80/31/612088031.db2.gz FFADVCMUTQRLQI-JSGCOSHPSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000953031376 612143688 /nfs/dbraw/zinc/14/36/88/612143688.db2.gz QXMUJJHJZLOATN-GUYCJALGSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)C(F)F)C2)C1 ZINC000953031376 612143689 /nfs/dbraw/zinc/14/36/89/612143689.db2.gz QXMUJJHJZLOATN-GUYCJALGSA-N 1 1 339.386 0.800 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)nc1 ZINC000951377547 612193914 /nfs/dbraw/zinc/19/39/14/612193914.db2.gz APOBNVMJRPVWSP-ZBFHGGJFSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)C[C@H]2CC[N@H+](C)C2)nc1 ZINC000951377942 612194262 /nfs/dbraw/zinc/19/42/62/612194262.db2.gz KNBODWDGVLVRKY-HZPDHXFCSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000951410791 612211396 /nfs/dbraw/zinc/21/13/96/612211396.db2.gz MQEXQOLGZFJRAC-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CCCO2)C1 ZINC000953792598 612279259 /nfs/dbraw/zinc/27/92/59/612279259.db2.gz NVQAZDJEOJFJEP-CVEARBPZSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CCCO2)C1 ZINC000953792598 612279262 /nfs/dbraw/zinc/27/92/62/612279262.db2.gz NVQAZDJEOJFJEP-CVEARBPZSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)COC ZINC000952388539 612403342 /nfs/dbraw/zinc/40/33/42/612403342.db2.gz CTSDPWJSDKYFSU-HMQMGEFJSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)COC ZINC000952388539 612403344 /nfs/dbraw/zinc/40/33/44/612403344.db2.gz CTSDPWJSDKYFSU-HMQMGEFJSA-N 1 1 347.459 0.759 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000952407721 612413090 /nfs/dbraw/zinc/41/30/90/612413090.db2.gz MBUJQHIIBBTSGH-IAQYHMDHSA-N 1 1 340.387 0.668 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000955339341 612458543 /nfs/dbraw/zinc/45/85/43/612458543.db2.gz CTRFTXNSCMWPPA-HFTRVMKXSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccncc2F)C1 ZINC000954630379 612467284 /nfs/dbraw/zinc/46/72/84/612467284.db2.gz DRJNPRNDFMRORM-INIZCTEOSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccncc2F)C1 ZINC000954630379 612467287 /nfs/dbraw/zinc/46/72/87/612467287.db2.gz DRJNPRNDFMRORM-INIZCTEOSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnccc2C)C1 ZINC000954630745 612468591 /nfs/dbraw/zinc/46/85/91/612468591.db2.gz IEQYEYPHDSNPAZ-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnccc2C)C1 ZINC000954630745 612468593 /nfs/dbraw/zinc/46/85/93/612468593.db2.gz IEQYEYPHDSNPAZ-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c(C)cnn2C)C1 ZINC000954630793 612468613 /nfs/dbraw/zinc/46/86/13/612468613.db2.gz JWMZGHMGFGGSRM-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c(C)cnn2C)C1 ZINC000954630793 612468615 /nfs/dbraw/zinc/46/86/15/612468615.db2.gz JWMZGHMGFGGSRM-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cccnc2)C1 ZINC000954631076 612469443 /nfs/dbraw/zinc/46/94/43/612469443.db2.gz OGAZFQCQLTURRD-INIZCTEOSA-N 1 1 326.400 0.462 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cccnc2)C1 ZINC000954631076 612469444 /nfs/dbraw/zinc/46/94/44/612469444.db2.gz OGAZFQCQLTURRD-INIZCTEOSA-N 1 1 326.400 0.462 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncoc2C)C1 ZINC000954631148 612469738 /nfs/dbraw/zinc/46/97/38/612469738.db2.gz QGBOYVLTPXBSEX-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncoc2C)C1 ZINC000954631148 612469740 /nfs/dbraw/zinc/46/97/40/612469740.db2.gz QGBOYVLTPXBSEX-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000955348766 612479370 /nfs/dbraw/zinc/47/93/70/612479370.db2.gz CRBLAYOPYDTDEZ-GUYCJALGSA-N 1 1 340.427 0.543 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000951716603 612497940 /nfs/dbraw/zinc/49/79/40/612497940.db2.gz FCNPLOWNWYLOKF-HOTGVXAUSA-N 1 1 333.432 0.226 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC000952592699 612540426 /nfs/dbraw/zinc/54/04/26/612540426.db2.gz DRZIWJIWBAYXFA-YUELXQCFSA-N 1 1 329.404 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CCCCO2)C1 ZINC000954020182 612557766 /nfs/dbraw/zinc/55/77/66/612557766.db2.gz BORGQXNFRHYHHU-SJORKVTESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CCCCO2)C1 ZINC000954020182 612557770 /nfs/dbraw/zinc/55/77/70/612557770.db2.gz BORGQXNFRHYHHU-SJORKVTESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ncoc1C ZINC000956073428 612677559 /nfs/dbraw/zinc/67/75/59/612677559.db2.gz RKXSHRVMWQTVDV-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ncoc1C ZINC000956073428 612677563 /nfs/dbraw/zinc/67/75/63/612677563.db2.gz RKXSHRVMWQTVDV-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC000954796375 612690618 /nfs/dbraw/zinc/69/06/18/612690618.db2.gz YOZUZLKJGGKJHZ-UHFFFAOYSA-N 1 1 337.383 0.551 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956935144 612717777 /nfs/dbraw/zinc/71/77/77/612717777.db2.gz QAOQQBIYFFQQFM-SUMWQHHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956935141 612717794 /nfs/dbraw/zinc/71/77/94/612717794.db2.gz QAOQQBIYFFQQFM-CXAGYDPISA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000954913391 612782900 /nfs/dbraw/zinc/78/29/00/612782900.db2.gz TUMLRXVAWHTNPV-CQSZACIVSA-N 1 1 326.400 0.297 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nc1 ZINC000954917845 612786268 /nfs/dbraw/zinc/78/62/68/612786268.db2.gz VGFTVFNPLHGEGZ-KRWDZBQOSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000954315415 612844269 /nfs/dbraw/zinc/84/42/69/612844269.db2.gz FLZUXSNQTVWKGC-AWEZNQCLSA-N 1 1 326.400 0.297 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC000954382026 612885518 /nfs/dbraw/zinc/88/55/18/612885518.db2.gz WJQTUVYYTCVUMI-OAHLLOKOSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cn[nH]c2)C1 ZINC000956723260 612937620 /nfs/dbraw/zinc/93/76/20/612937620.db2.gz KCIPLTWCBIAIFL-WMLDXEAASA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cn[nH]c2)C1 ZINC000956723260 612937621 /nfs/dbraw/zinc/93/76/21/612937621.db2.gz KCIPLTWCBIAIFL-WMLDXEAASA-N 1 1 329.404 0.228 20 30 ECEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cnc(C#N)c(C#N)n1)CC2 ZINC001164689585 719744731 /nfs/dbraw/zinc/74/47/31/719744731.db2.gz IJFCXRSUGVVXNO-UHFFFAOYSA-N 1 1 339.403 0.401 20 30 ECEDMO Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(C#N)n1 ZINC001164738866 720712143 /nfs/dbraw/zinc/71/21/43/720712143.db2.gz LEGIIRDWLDIATQ-KBPBESRZSA-N 1 1 337.387 0.789 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc(C#N)c(C#N)n4)C[C@H]3C2)cn1 ZINC001164761985 721211757 /nfs/dbraw/zinc/21/17/57/721211757.db2.gz BHWFMVXZNWXDRJ-LSDHHAIUSA-N 1 1 348.414 0.912 20 30 ECEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164935487 721887118 /nfs/dbraw/zinc/88/71/18/721887118.db2.gz WZIUALUNPDKCGO-HZPDHXFCSA-N 1 1 343.431 0.954 20 30 ECEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164935487 721887119 /nfs/dbraw/zinc/88/71/19/721887119.db2.gz WZIUALUNPDKCGO-HZPDHXFCSA-N 1 1 343.431 0.954 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3ccon3)C2)C1=O ZINC000971936630 735415205 /nfs/dbraw/zinc/41/52/05/735415205.db2.gz HAYLZPDONSONLA-HZPDHXFCSA-N 1 1 346.431 0.927 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CCn3cnccc3=O)[C@H]2C1 ZINC001083236203 735499856 /nfs/dbraw/zinc/49/98/56/735499856.db2.gz QEIHTZAIOIEZCT-JKSUJKDBSA-N 1 1 346.431 0.511 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC000972015442 735506048 /nfs/dbraw/zinc/50/60/48/735506048.db2.gz BJJGEDTZYHIBIF-SOUVJXGZSA-N 1 1 343.855 0.907 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC000972015442 735506051 /nfs/dbraw/zinc/50/60/51/735506051.db2.gz BJJGEDTZYHIBIF-SOUVJXGZSA-N 1 1 343.855 0.907 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cn4nccc4nc3C)[C@H]2C1 ZINC001083236725 735510226 /nfs/dbraw/zinc/51/02/26/735510226.db2.gz SIOHDYVKZJXTDB-JKSUJKDBSA-N 1 1 339.399 0.586 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn4nccc4nc3C)[C@H]2C1 ZINC001083236725 735510230 /nfs/dbraw/zinc/51/02/30/735510230.db2.gz SIOHDYVKZJXTDB-JKSUJKDBSA-N 1 1 339.399 0.586 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CNc1ccnc(C#N)n1)C(C)(C)C ZINC001125810834 738435642 /nfs/dbraw/zinc/43/56/42/738435642.db2.gz FQAANXKSMWQTQP-QWHCGFSZSA-N 1 1 330.436 0.807 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCO[C@@H](CNc2ccc(C#N)cn2)C1 ZINC001111951623 738446415 /nfs/dbraw/zinc/44/64/15/738446415.db2.gz JNTSQBBRNVXMGA-HNNXBMFYSA-N 1 1 331.420 0.934 20 30 ECEDMO CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC000969115622 731478592 /nfs/dbraw/zinc/47/85/92/731478592.db2.gz SFZZZSBWGGJZAM-GFCCVEGCSA-N 1 1 348.403 0.894 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC000969137319 731513967 /nfs/dbraw/zinc/51/39/67/731513967.db2.gz XJWVRBKCUWDBBI-DLBZAZTESA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)C3CCOCC3)C2)C1=O ZINC000969192373 731574948 /nfs/dbraw/zinc/57/49/48/731574948.db2.gz JZXDEYWWWISOON-BBRMVZONSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cccnc3)C2)C1=O ZINC000969209051 731600126 /nfs/dbraw/zinc/60/01/26/731600126.db2.gz FCBRUUORHYFGNF-XJKSGUPXSA-N 1 1 328.416 0.919 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC000969251761 731645158 /nfs/dbraw/zinc/64/51/58/731645158.db2.gz KALGYXKUAPJVNE-RISCZKNCSA-N 1 1 345.403 0.019 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C(C)=C/CC)C1 ZINC001041798090 782231612 /nfs/dbraw/zinc/23/16/12/782231612.db2.gz GSDBUNJVCHBVDY-LULHVWEPSA-N 1 1 333.432 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C(C)=C/CC)C1 ZINC001041798090 782231619 /nfs/dbraw/zinc/23/16/19/782231619.db2.gz GSDBUNJVCHBVDY-LULHVWEPSA-N 1 1 333.432 0.130 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cnns3)C2)C1=O ZINC000969349378 731745610 /nfs/dbraw/zinc/74/56/10/731745610.db2.gz QQHUJBWIRHHOHC-JQWIXIFHSA-N 1 1 335.433 0.375 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](C)OC)C[C@@H]32)c1 ZINC001083188494 731764648 /nfs/dbraw/zinc/76/46/48/731764648.db2.gz XVRXKQJFUNCITL-RRQGHBQHSA-N 1 1 329.400 0.623 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@]2(CC[N@H+](CC(=O)NC)C2)C1 ZINC001041805161 782238182 /nfs/dbraw/zinc/23/81/82/782238182.db2.gz HMOCQDKAGLPARI-FQEVSTJZSA-N 1 1 339.439 0.881 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CN(C)c2ncccc2C#N)CC[N@H+]1C ZINC001125299220 731908918 /nfs/dbraw/zinc/90/89/18/731908918.db2.gz JRHLGTXQDAMYCR-FVQBIDKESA-N 1 1 345.447 0.549 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000969514807 731935877 /nfs/dbraw/zinc/93/58/77/731935877.db2.gz SUCWZUSRVHCRRP-MNOVXSKESA-N 1 1 329.404 0.604 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3nccn3CC)C2)C1=O ZINC000969578168 731983931 /nfs/dbraw/zinc/98/39/31/731983931.db2.gz HSCUPIQTHUOAFA-DZGCQCFKSA-N 1 1 345.447 0.740 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969597460 731995287 /nfs/dbraw/zinc/99/52/87/731995287.db2.gz ZVIXQHYVRKOZNJ-MLGOLLRUSA-N 1 1 345.374 0.722 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cn(C)cn3)C(C)(C)C2)C1=O ZINC000973035117 738567894 /nfs/dbraw/zinc/56/78/94/738567894.db2.gz XCOJXSBKUZDTTI-GJZGRUSLSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cn(C)cn3)C(C)(C)C2)C1=O ZINC000973035117 738567896 /nfs/dbraw/zinc/56/78/96/738567896.db2.gz XCOJXSBKUZDTTI-GJZGRUSLSA-N 1 1 345.447 0.647 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ncn(C(C)(C)C)n3)[C@H]2C1 ZINC001083191525 732087767 /nfs/dbraw/zinc/08/77/67/732087767.db2.gz BXJPCXQHTFDHBU-UONOGXRCSA-N 1 1 331.420 0.582 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ncn(C(C)(C)C)n3)[C@H]2C1 ZINC001083191525 732087772 /nfs/dbraw/zinc/08/77/72/732087772.db2.gz BXJPCXQHTFDHBU-UONOGXRCSA-N 1 1 331.420 0.582 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C(=O)NC)n3)C2)C1 ZINC001041811802 782252410 /nfs/dbraw/zinc/25/24/10/782252410.db2.gz SOMUIBRIHARAET-GOSISDBHSA-N 1 1 326.400 0.612 20 30 ECEDMO COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001111753370 732451400 /nfs/dbraw/zinc/45/14/00/732451400.db2.gz YXZIDPVUYZJVTN-NTDBWNAOSA-N 1 1 333.476 0.947 20 30 ECEDMO COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001111753370 732451403 /nfs/dbraw/zinc/45/14/03/732451403.db2.gz YXZIDPVUYZJVTN-NTDBWNAOSA-N 1 1 333.476 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cc(OC)no2)C1 ZINC000969865088 732461699 /nfs/dbraw/zinc/46/16/99/732461699.db2.gz JOFFBKIICMRBDA-BBRMVZONSA-N 1 1 346.431 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cc(OC)no2)C1 ZINC000969865088 732461702 /nfs/dbraw/zinc/46/17/02/732461702.db2.gz JOFFBKIICMRBDA-BBRMVZONSA-N 1 1 346.431 0.717 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nonc2C)C1 ZINC000969867360 732465753 /nfs/dbraw/zinc/46/57/53/732465753.db2.gz BRBLPFVTZNMNOV-LRDDRELGSA-N 1 1 331.420 0.412 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nonc2C)C1 ZINC000969867360 732465755 /nfs/dbraw/zinc/46/57/55/732465755.db2.gz BRBLPFVTZNMNOV-LRDDRELGSA-N 1 1 331.420 0.412 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(N4CCCC4)ncn3)[C@H]2C1 ZINC001083193584 732548863 /nfs/dbraw/zinc/54/88/63/732548863.db2.gz YSMXKVNQNOUTPG-JKSUJKDBSA-N 1 1 343.431 0.788 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(N4CCCC4)ncn3)[C@H]2C1 ZINC001083193584 732548867 /nfs/dbraw/zinc/54/88/67/732548867.db2.gz YSMXKVNQNOUTPG-JKSUJKDBSA-N 1 1 343.431 0.788 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1 ZINC001098528495 732881721 /nfs/dbraw/zinc/88/17/21/732881721.db2.gz HLRZEXCMDODZKA-OAHLLOKOSA-N 1 1 337.464 0.716 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)CN3CCOCC3)C2)C1 ZINC001041834461 782304232 /nfs/dbraw/zinc/30/42/32/782304232.db2.gz DCSRRWFFCNIKHL-IEBWSBKVSA-N 1 1 333.476 0.902 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)CN3CCOCC3)C2)C1 ZINC001041834461 782304242 /nfs/dbraw/zinc/30/42/42/782304242.db2.gz DCSRRWFFCNIKHL-IEBWSBKVSA-N 1 1 333.476 0.902 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC001041839829 782318227 /nfs/dbraw/zinc/31/82/27/782318227.db2.gz RXSDIWGIQQQHDN-SJLPKXTDSA-N 1 1 335.448 0.734 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125327234 733047629 /nfs/dbraw/zinc/04/76/29/733047629.db2.gz JCVITANDIDPWAL-LSDHHAIUSA-N 1 1 346.435 0.088 20 30 ECEDMO CCn1cnc(C(=O)N2CCC([N@H+](CC#CCOC)CCO)CC2)c1 ZINC001098534827 733106152 /nfs/dbraw/zinc/10/61/52/733106152.db2.gz IGMKCLGTIGDXFN-UHFFFAOYSA-N 1 1 348.447 0.452 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CCC(=O)NCCC)CC1 ZINC001098534979 733112032 /nfs/dbraw/zinc/11/20/32/733112032.db2.gz QTZTXZVZFYHLAN-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C(C)C)C2)nn1 ZINC000970205837 733199009 /nfs/dbraw/zinc/19/90/09/733199009.db2.gz NVECPHFODZRWSQ-CYBMUJFWSA-N 1 1 344.423 0.641 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnns3)C2)nn1 ZINC000970223960 733234736 /nfs/dbraw/zinc/23/47/36/733234736.db2.gz GLPXMVGEOSURKS-LLVKDONJSA-N 1 1 333.421 0.710 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)COc3cccc(C(N)=O)c3)C2)C1 ZINC001041845192 782325670 /nfs/dbraw/zinc/32/56/70/782325670.db2.gz UVEKTUFYXPYGDO-LJQANCHMSA-N 1 1 341.411 0.722 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)[C@H]2C1 ZINC001083200953 733248906 /nfs/dbraw/zinc/24/89/06/733248906.db2.gz JMPPUDAYLLYSHX-VVLHAWIVSA-N 1 1 328.416 0.459 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000970265355 733274804 /nfs/dbraw/zinc/27/48/04/733274804.db2.gz PJYBCFALILUCFZ-IAQYHMDHSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970271869 733287194 /nfs/dbraw/zinc/28/71/94/733287194.db2.gz XZUNKMKESDXXBD-HZMBPMFUSA-N 1 1 347.444 0.580 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCN(C)C1=O)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970294281 733324601 /nfs/dbraw/zinc/32/46/01/733324601.db2.gz YUXJJEUYXZOVMO-DYVFJYSZSA-N 1 1 340.427 0.973 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)CCOC)CC2)nc1 ZINC001098536587 733355313 /nfs/dbraw/zinc/35/53/13/733355313.db2.gz NKVSKKOSDWSTOS-UHFFFAOYSA-N 1 1 331.416 0.608 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970341259 733393474 /nfs/dbraw/zinc/39/34/74/733393474.db2.gz WKGWGHNZCMVHBG-GFCCVEGCSA-N 1 1 337.383 0.892 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970354765 733404720 /nfs/dbraw/zinc/40/47/20/733404720.db2.gz SYWJAHJYQDEVIT-BBRMVZONSA-N 1 1 326.400 0.156 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N(C)C3CC3)C2)c1 ZINC000970397251 733464125 /nfs/dbraw/zinc/46/41/25/733464125.db2.gz CBPRHFGDHBEVNR-CYBMUJFWSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC000970400647 733471952 /nfs/dbraw/zinc/47/19/52/733471952.db2.gz CVPYKLFYVZJTEW-OLZOCXBDSA-N 1 1 328.416 0.590 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC000970400645 733472086 /nfs/dbraw/zinc/47/20/86/733472086.db2.gz CVPYKLFYVZJTEW-CHWSQXEVSA-N 1 1 328.416 0.590 20 30 ECEDMO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970430697 733522001 /nfs/dbraw/zinc/52/20/01/733522001.db2.gz GHLRFBMKWPLLFZ-XZJROXQQSA-N 1 1 326.400 0.616 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC001098537321 733580404 /nfs/dbraw/zinc/58/04/04/733580404.db2.gz YHATXKGKQWBKSA-UHFFFAOYSA-N 1 1 331.416 0.308 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)nc1 ZINC000970518170 733635966 /nfs/dbraw/zinc/63/59/66/733635966.db2.gz IODGJCGAVGIXFG-DGCLKSJQSA-N 1 1 325.376 0.152 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)nc1 ZINC000970518223 733635977 /nfs/dbraw/zinc/63/59/77/733635977.db2.gz LEWZRKRCPIIKFK-CYBMUJFWSA-N 1 1 337.387 0.389 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(=O)NC)C2)cc1 ZINC000970539098 733658108 /nfs/dbraw/zinc/65/81/08/733658108.db2.gz YZJFVJDZWOMSEI-KBPBESRZSA-N 1 1 343.427 0.883 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3cnn(C)c3)C2)nn1 ZINC000970552423 733668327 /nfs/dbraw/zinc/66/83/27/733668327.db2.gz NSOKLPRXZAWNPI-CYBMUJFWSA-N 1 1 343.435 0.838 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC000970635924 733766462 /nfs/dbraw/zinc/76/64/62/733766462.db2.gz BZVNZPLSOOISEU-KFWWJZLASA-N 1 1 337.464 0.761 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)C1 ZINC000970636011 733766839 /nfs/dbraw/zinc/76/68/39/733766839.db2.gz LNTICTVRFRRNMC-ZNMIVQPWSA-N 1 1 335.448 0.515 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H](C)C1C[NH+]([C@H](CC)C(N)=O)C1 ZINC000970753285 733909402 /nfs/dbraw/zinc/90/94/02/733909402.db2.gz HLBRZPZLKDHIQR-SWLSCSKDSA-N 1 1 344.415 0.408 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC000970767004 733925021 /nfs/dbraw/zinc/92/50/21/733925021.db2.gz OEOMEIQDVRBAQM-GUYCJALGSA-N 1 1 340.427 0.734 20 30 ECEDMO C=C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1)c1ccccc1 ZINC000970775408 733931768 /nfs/dbraw/zinc/93/17/68/733931768.db2.gz QMSPFIDFTPZHPO-CABCVRRESA-N 1 1 326.404 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCOCC2=O)C1 ZINC001039212532 733934793 /nfs/dbraw/zinc/93/47/93/733934793.db2.gz GYICDIBQNVOHJD-JKSUJKDBSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CN(CCn3cncn3)C2)CC1 ZINC000970922403 734091269 /nfs/dbraw/zinc/09/12/69/734091269.db2.gz XFVOHGBASPJXDI-HNNXBMFYSA-N 1 1 344.463 0.060 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)[C@H]2C1 ZINC001083208908 734116520 /nfs/dbraw/zinc/11/65/20/734116520.db2.gz HZANABUMNGGGHG-OWCLPIDISA-N 1 1 333.432 0.180 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001078156715 782396200 /nfs/dbraw/zinc/39/62/00/782396200.db2.gz FTANJLLHYQLZIN-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001078156715 782396208 /nfs/dbraw/zinc/39/62/08/782396208.db2.gz FTANJLLHYQLZIN-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)Nc2ccnc(C#N)n2)C1 ZINC001098210092 734286736 /nfs/dbraw/zinc/28/67/36/734286736.db2.gz VUSIVKJSIACLKI-ZIAGYGMSSA-N 1 1 330.436 0.809 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2cnn(C)c2OC)CC1 ZINC001098548295 734320942 /nfs/dbraw/zinc/32/09/42/734320942.db2.gz QTYGJAKCLZWNQJ-UHFFFAOYSA-N 1 1 336.436 0.904 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001078163632 782407921 /nfs/dbraw/zinc/40/79/21/782407921.db2.gz YJZPMBXOPZKLEM-GDBMZVCRSA-N 1 1 329.404 0.802 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104328740 734346666 /nfs/dbraw/zinc/34/66/66/734346666.db2.gz MYVFAFSKIKTNKT-AWEZNQCLSA-N 1 1 332.408 0.011 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2cc(CC)[nH+]c(C)n2)CCO1 ZINC001104330651 734371304 /nfs/dbraw/zinc/37/13/04/734371304.db2.gz UGBPGRMSAKUPFL-CJNGLKHVSA-N 1 1 346.431 0.707 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNc2ncc(C#N)cc2F)C1 ZINC001111489049 734402172 /nfs/dbraw/zinc/40/21/72/734402172.db2.gz GPMRUUAOHVIFDG-ZDUSSCGKSA-N 1 1 349.410 0.667 20 30 ECEDMO CC(C)(C(=O)N(CCO)CCNc1ccc(C#N)nn1)c1c[nH]cn1 ZINC001111489041 734402483 /nfs/dbraw/zinc/40/24/83/734402483.db2.gz GGLZURJJEHMZLS-UHFFFAOYSA-N 1 1 343.391 0.282 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC000971326489 734449208 /nfs/dbraw/zinc/44/92/08/734449208.db2.gz NRPCRUZDQPNAHZ-CVEARBPZSA-N 1 1 345.447 0.580 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC000971334190 734452664 /nfs/dbraw/zinc/45/26/64/734452664.db2.gz MUSMWQBATRKBLC-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363880 734476239 /nfs/dbraw/zinc/47/62/39/734476239.db2.gz KHENGMFTEIAPMQ-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104350133 734523319 /nfs/dbraw/zinc/52/33/19/734523319.db2.gz PCLDCGCWFXVIKH-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971452736 734612756 /nfs/dbraw/zinc/61/27/56/734612756.db2.gz VHLSZDOPJWVKMQ-ZFWWWQNUSA-N 1 1 346.362 0.838 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC001098555104 734881030 /nfs/dbraw/zinc/88/10/30/734881030.db2.gz FFAZZHMSXWNPJZ-UHFFFAOYSA-N 1 1 326.400 0.866 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000973167724 738858694 /nfs/dbraw/zinc/85/86/94/738858694.db2.gz VELSJESHVKHNHR-JYJNAYRXSA-N 1 1 328.416 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000973167724 738858698 /nfs/dbraw/zinc/85/86/98/738858698.db2.gz VELSJESHVKHNHR-JYJNAYRXSA-N 1 1 328.416 0.500 20 30 ECEDMO C=CCCC[N@H+](CCO)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001098556210 735080754 /nfs/dbraw/zinc/08/07/54/735080754.db2.gz MPYXLUKRZWYHNN-UHFFFAOYSA-N 1 1 326.441 0.296 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000987930931 751348889 /nfs/dbraw/zinc/34/88/89/751348889.db2.gz RSRMSYXNDBDGAJ-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCOCC2)C1 ZINC000972073520 735612084 /nfs/dbraw/zinc/61/20/84/735612084.db2.gz SXTIBKTXQIVRGJ-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCOCC2)C1 ZINC000972073520 735612085 /nfs/dbraw/zinc/61/20/85/735612085.db2.gz SXTIBKTXQIVRGJ-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078268 735617648 /nfs/dbraw/zinc/61/76/48/735617648.db2.gz DWMCLSSXXJPOON-FZMZJTMJSA-N 1 1 332.429 0.789 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC000972082641 735623348 /nfs/dbraw/zinc/62/33/48/735623348.db2.gz PNPAHHTWLMCYRN-OLZOCXBDSA-N 1 1 347.419 0.059 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H]3CC)[C@H]2C1 ZINC001083241438 735643047 /nfs/dbraw/zinc/64/30/47/735643047.db2.gz GTAFMIVQIYYIGW-HRCADAONSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001006398829 751349454 /nfs/dbraw/zinc/34/94/54/751349454.db2.gz GDYVHBVTFFBHOB-DOTOQJQBSA-N 1 1 348.491 0.648 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001006398829 751349462 /nfs/dbraw/zinc/34/94/62/751349462.db2.gz GDYVHBVTFFBHOB-DOTOQJQBSA-N 1 1 348.491 0.648 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)[C@H]2C1 ZINC001083242720 735663197 /nfs/dbraw/zinc/66/31/97/735663197.db2.gz VJVDAVOSRLNFGA-OWCLPIDISA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2coc(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001069988232 790282634 /nfs/dbraw/zinc/28/26/34/790282634.db2.gz NPXZXKHNBUCLDO-OLZOCXBDSA-N 1 1 344.375 0.201 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001069989240 790283514 /nfs/dbraw/zinc/28/35/14/790283514.db2.gz IERKKOVSBIAZEO-YPMHNXCESA-N 1 1 332.364 0.506 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001069989240 790283519 /nfs/dbraw/zinc/28/35/19/790283519.db2.gz IERKKOVSBIAZEO-YPMHNXCESA-N 1 1 332.364 0.506 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972197519 735775635 /nfs/dbraw/zinc/77/56/35/735775635.db2.gz CWSJCYZSBGPLPJ-ZFWWWQNUSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972197519 735775636 /nfs/dbraw/zinc/77/56/36/735775636.db2.gz CWSJCYZSBGPLPJ-ZFWWWQNUSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972198154 735775954 /nfs/dbraw/zinc/77/59/54/735775954.db2.gz GNJIMYVXGGEOTI-ZWNOBZJWSA-N 1 1 333.417 0.334 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972201091 735778511 /nfs/dbraw/zinc/77/85/11/735778511.db2.gz XBRZQQAQHYRVNO-CABCVRRESA-N 1 1 327.388 0.272 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972201091 735778512 /nfs/dbraw/zinc/77/85/12/735778512.db2.gz XBRZQQAQHYRVNO-CABCVRRESA-N 1 1 327.388 0.272 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972207433 735785426 /nfs/dbraw/zinc/78/54/26/735785426.db2.gz NNQYAAHDFFKXER-UKRRQHHQSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972208310 735790045 /nfs/dbraw/zinc/79/00/45/735790045.db2.gz YKNXQKWTZJVTNQ-GJZGRUSLSA-N 1 1 327.388 0.272 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2cncc(C(N)=O)c2)CC1 ZINC001098566616 735851056 /nfs/dbraw/zinc/85/10/56/735851056.db2.gz FMVDXSMXAKYODH-UHFFFAOYSA-N 1 1 346.431 0.656 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)c(C)n3)C2)C1 ZINC001058908809 751363843 /nfs/dbraw/zinc/36/38/43/751363843.db2.gz HPEIGYWKZWHXBD-HOTGVXAUSA-N 1 1 343.431 0.995 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)c(C)n3)C2)C1 ZINC001058908809 751363849 /nfs/dbraw/zinc/36/38/49/751363849.db2.gz HPEIGYWKZWHXBD-HOTGVXAUSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccn(C)c(=O)c1)CCO2 ZINC000972296249 735903608 /nfs/dbraw/zinc/90/36/08/735903608.db2.gz AXKZPSPCPMKCKA-RDTXWAMCSA-N 1 1 344.415 0.348 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccn(C)c(=O)c1)CCO2 ZINC000972296249 735903612 /nfs/dbraw/zinc/90/36/12/735903612.db2.gz AXKZPSPCPMKCKA-RDTXWAMCSA-N 1 1 344.415 0.348 20 30 ECEDMO CO[C@@H](C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972350888 735988048 /nfs/dbraw/zinc/98/80/48/735988048.db2.gz AWSPRHSRQSKIPR-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972350888 735988050 /nfs/dbraw/zinc/98/80/50/735988050.db2.gz AWSPRHSRQSKIPR-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)n(C)o3)C2)C1 ZINC000972352728 735992868 /nfs/dbraw/zinc/99/28/68/735992868.db2.gz OYJORUCTYWFEQM-KRWDZBQOSA-N 1 1 335.404 0.861 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cccc(C)c3=O)C2)C1 ZINC000972381649 736045724 /nfs/dbraw/zinc/04/57/24/736045724.db2.gz TVBVCWOVEGYLKS-IBGZPJMESA-N 1 1 343.427 0.483 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cccc(C)c3=O)C2)C1 ZINC000972381649 736045727 /nfs/dbraw/zinc/04/57/27/736045727.db2.gz TVBVCWOVEGYLKS-IBGZPJMESA-N 1 1 343.427 0.483 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCOC)CCO2 ZINC000972392894 736109692 /nfs/dbraw/zinc/10/96/92/736109692.db2.gz NZIZPVIDGXYOAE-SOLBZPMBSA-N 1 1 338.448 0.917 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCOC)CCO2 ZINC000972392894 736109694 /nfs/dbraw/zinc/10/96/94/736109694.db2.gz NZIZPVIDGXYOAE-SOLBZPMBSA-N 1 1 338.448 0.917 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 ZINC000972409697 736141787 /nfs/dbraw/zinc/14/17/87/736141787.db2.gz SJYYYQWVFADJJD-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972422971 736168754 /nfs/dbraw/zinc/16/87/54/736168754.db2.gz ROVDJJJZQRBFGI-ROUUACIJSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972422971 736168758 /nfs/dbraw/zinc/16/87/58/736168758.db2.gz ROVDJJJZQRBFGI-ROUUACIJSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(OCC)n[nH]3)C2)C1 ZINC000972423308 736169541 /nfs/dbraw/zinc/16/95/41/736169541.db2.gz BUMWFLVWUISPGV-QGZVFWFLSA-N 1 1 332.404 0.749 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(OCC)n[nH]3)C2)C1 ZINC000972423308 736169544 /nfs/dbraw/zinc/16/95/44/736169544.db2.gz BUMWFLVWUISPGV-QGZVFWFLSA-N 1 1 332.404 0.749 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4cncn4C3)C2)C1 ZINC000972441863 736204370 /nfs/dbraw/zinc/20/43/70/736204370.db2.gz VZKINNCWEPFELN-QFBILLFUSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4cncn4C3)C2)C1 ZINC000972441863 736204371 /nfs/dbraw/zinc/20/43/71/736204371.db2.gz VZKINNCWEPFELN-QFBILLFUSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 ZINC000972458477 736252133 /nfs/dbraw/zinc/25/21/33/736252133.db2.gz JZBYUMFHPAJDHE-QAPCUYQASA-N 1 1 333.432 0.372 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 ZINC000972458477 736252136 /nfs/dbraw/zinc/25/21/36/736252136.db2.gz JZBYUMFHPAJDHE-QAPCUYQASA-N 1 1 333.432 0.372 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3nc(C)cc3C)C2)C1 ZINC000972459682 736254747 /nfs/dbraw/zinc/25/47/47/736254747.db2.gz ZNTGISBPWARLDM-GOSISDBHSA-N 1 1 330.432 0.827 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3nc(C)cc3C)C2)C1 ZINC000972459682 736254748 /nfs/dbraw/zinc/25/47/48/736254748.db2.gz ZNTGISBPWARLDM-GOSISDBHSA-N 1 1 330.432 0.827 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972464016 736263186 /nfs/dbraw/zinc/26/31/86/736263186.db2.gz ZVOXPMHRJLQVRQ-QGZVFWFLSA-N 1 1 342.403 0.617 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972464016 736263189 /nfs/dbraw/zinc/26/31/89/736263189.db2.gz ZVOXPMHRJLQVRQ-QGZVFWFLSA-N 1 1 342.403 0.617 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1scnc1C1CC1 ZINC001114939666 736272733 /nfs/dbraw/zinc/27/27/33/736272733.db2.gz MNJRGGUJXUBZKQ-JYAVWHMHSA-N 1 1 344.440 0.430 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1scnc1C1CC1 ZINC001114939666 736272736 /nfs/dbraw/zinc/27/27/36/736272736.db2.gz MNJRGGUJXUBZKQ-JYAVWHMHSA-N 1 1 344.440 0.430 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCCCC2)C1 ZINC001022949920 736303302 /nfs/dbraw/zinc/30/33/02/736303302.db2.gz BRNONUAYKRGACQ-IXDOHACOSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCCCC2)C1 ZINC001022949920 736303306 /nfs/dbraw/zinc/30/33/06/736303306.db2.gz BRNONUAYKRGACQ-IXDOHACOSA-N 1 1 347.459 0.352 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 ZINC000972479787 736307097 /nfs/dbraw/zinc/30/70/97/736307097.db2.gz ZNPTXZSCTIWWFT-KRWDZBQOSA-N 1 1 333.436 0.720 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 ZINC000972479787 736307101 /nfs/dbraw/zinc/30/71/01/736307101.db2.gz ZNPTXZSCTIWWFT-KRWDZBQOSA-N 1 1 333.436 0.720 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000972503805 736437716 /nfs/dbraw/zinc/43/77/16/736437716.db2.gz IZPVTQTUQYXYQW-RHSMWYFYSA-N 1 1 336.436 0.280 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H](C)OC2(CC[NH+](Cc3cnnn3C)CC2)C1 ZINC001098574792 736439028 /nfs/dbraw/zinc/43/90/28/736439028.db2.gz UGQOIKVHDANWBE-UONOGXRCSA-N 1 1 346.435 0.557 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000981967134 751371330 /nfs/dbraw/zinc/37/13/30/751371330.db2.gz NXOYJTMNKXIZCF-UHFFFAOYSA-N 1 1 329.400 0.869 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023309159 736667055 /nfs/dbraw/zinc/66/70/55/736667055.db2.gz ZMJROAIYJDMSSP-OLZOCXBDSA-N 1 1 331.420 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972547122 736667543 /nfs/dbraw/zinc/66/75/43/736667543.db2.gz VVTXAUPZFCCBGN-MAUKXSAKSA-N 1 1 333.432 0.372 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972547122 736667545 /nfs/dbraw/zinc/66/75/45/736667545.db2.gz VVTXAUPZFCCBGN-MAUKXSAKSA-N 1 1 333.432 0.372 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023320221 736680391 /nfs/dbraw/zinc/68/03/91/736680391.db2.gz XDEOCFUKGKEDHD-STQMWFEESA-N 1 1 331.420 0.805 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001023347166 736712401 /nfs/dbraw/zinc/71/24/01/736712401.db2.gz RPEQKRKMVODXHZ-BBRMVZONSA-N 1 1 342.399 0.995 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001023404304 736787952 /nfs/dbraw/zinc/78/79/52/736787952.db2.gz RTMXUCYLNACREN-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001023510899 736936093 /nfs/dbraw/zinc/93/60/93/736936093.db2.gz SVQOACJGQOHDLF-ZIAGYGMSSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972582152 736944575 /nfs/dbraw/zinc/94/45/75/736944575.db2.gz HRXOFTFGZKYGHH-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972582152 736944578 /nfs/dbraw/zinc/94/45/78/736944578.db2.gz HRXOFTFGZKYGHH-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC([N@H+](CCO)CCCOC)CC1 ZINC001098577528 736946928 /nfs/dbraw/zinc/94/69/28/736946928.db2.gz LNDVUHYFPMPXKA-OAHLLOKOSA-N 1 1 328.453 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3c[nH]nc3C)C2)C1=O ZINC001023522205 736951251 /nfs/dbraw/zinc/95/12/51/736951251.db2.gz WCZLKQMJKSPOKW-HOCLYGCPSA-N 1 1 345.447 0.947 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001023525129 736956671 /nfs/dbraw/zinc/95/66/71/736956671.db2.gz MCYFXRNLOSSJPC-HNNXBMFYSA-N 1 1 330.432 0.862 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972584921 736965184 /nfs/dbraw/zinc/96/51/84/736965184.db2.gz CQVYFPRZENARFO-SFHVURJKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972584921 736965186 /nfs/dbraw/zinc/96/51/86/736965186.db2.gz CQVYFPRZENARFO-SFHVURJKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](CCCF)CCO3)nn1 ZINC000972586364 736976177 /nfs/dbraw/zinc/97/61/77/736976177.db2.gz WUONEHGSEGBWIT-MRXNPFEDSA-N 1 1 337.399 0.741 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCCF)CCO3)nn1 ZINC000972586364 736976180 /nfs/dbraw/zinc/97/61/80/736976180.db2.gz WUONEHGSEGBWIT-MRXNPFEDSA-N 1 1 337.399 0.741 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001023557539 737002824 /nfs/dbraw/zinc/00/28/24/737002824.db2.gz ZEZWLOOXXFFGNZ-ZDUSSCGKSA-N 1 1 326.404 0.828 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001023583445 737040163 /nfs/dbraw/zinc/04/01/63/737040163.db2.gz HVNGSEFQCISFBY-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001023588936 737042839 /nfs/dbraw/zinc/04/28/39/737042839.db2.gz OYHIDPWEZNNTEB-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC000972602902 737068389 /nfs/dbraw/zinc/06/83/89/737068389.db2.gz SBMSKUZTCPUKFL-KRWDZBQOSA-N 1 1 342.403 0.617 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC000972602902 737068391 /nfs/dbraw/zinc/06/83/91/737068391.db2.gz SBMSKUZTCPUKFL-KRWDZBQOSA-N 1 1 342.403 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CCOC)C1 ZINC001059847616 751384273 /nfs/dbraw/zinc/38/42/73/751384273.db2.gz UCNLZBVGZLEKEQ-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CCOC)C1 ZINC001059847616 751384277 /nfs/dbraw/zinc/38/42/77/751384277.db2.gz UCNLZBVGZLEKEQ-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001023637876 737124061 /nfs/dbraw/zinc/12/40/61/737124061.db2.gz UIPNXVYGEWNTOW-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cncn3C)C2)nn1 ZINC001023637510 737124202 /nfs/dbraw/zinc/12/42/02/737124202.db2.gz NPLOOPMNOGCZJG-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972623726 737131878 /nfs/dbraw/zinc/13/18/78/737131878.db2.gz DISGZPAOSCKOKB-QGZVFWFLSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972623726 737131881 /nfs/dbraw/zinc/13/18/81/737131881.db2.gz DISGZPAOSCKOKB-QGZVFWFLSA-N 1 1 330.388 0.425 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001023643548 737132512 /nfs/dbraw/zinc/13/25/12/737132512.db2.gz BEEYBLGYDXAKAY-STQMWFEESA-N 1 1 349.884 0.601 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001023643548 737132514 /nfs/dbraw/zinc/13/25/14/737132514.db2.gz BEEYBLGYDXAKAY-STQMWFEESA-N 1 1 349.884 0.601 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)CCOCCOC)CC1 ZINC001098579607 737133460 /nfs/dbraw/zinc/13/34/60/737133460.db2.gz DWQKYTSXSJJDIP-UHFFFAOYSA-N 1 1 326.437 0.348 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001023674095 737177765 /nfs/dbraw/zinc/17/77/65/737177765.db2.gz KQKORSVIKOZXQA-HOTGVXAUSA-N 1 1 345.447 0.780 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001023674223 737177974 /nfs/dbraw/zinc/17/79/74/737177974.db2.gz MZDMJGCWHSYFIX-HUUCEWRRSA-N 1 1 331.420 0.390 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 ZINC000972635574 737185325 /nfs/dbraw/zinc/18/53/25/737185325.db2.gz RVCDNMHZSOEJNW-LJQANCHMSA-N 1 1 342.443 0.849 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 ZINC000972635574 737185326 /nfs/dbraw/zinc/18/53/26/737185326.db2.gz RVCDNMHZSOEJNW-LJQANCHMSA-N 1 1 342.443 0.849 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(N(C)C)nn3)C2)C1 ZINC000972639858 737200198 /nfs/dbraw/zinc/20/01/98/737200198.db2.gz BZWLRZUEUYJYMQ-SFHVURJKSA-N 1 1 343.431 0.483 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(N(C)C)nn3)C2)C1 ZINC000972639858 737200199 /nfs/dbraw/zinc/20/01/99/737200199.db2.gz BZWLRZUEUYJYMQ-SFHVURJKSA-N 1 1 343.431 0.483 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001023695006 737209194 /nfs/dbraw/zinc/20/91/94/737209194.db2.gz SCXTWGKQDIGQPS-CYBMUJFWSA-N 1 1 326.404 0.885 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001023701886 737212318 /nfs/dbraw/zinc/21/23/18/737212318.db2.gz XMCFTLAZRCDQQD-CYBMUJFWSA-N 1 1 327.388 0.900 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972642224 737214364 /nfs/dbraw/zinc/21/43/64/737214364.db2.gz DXSIGYLFJBEGQL-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972642224 737214367 /nfs/dbraw/zinc/21/43/67/737214367.db2.gz DXSIGYLFJBEGQL-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC000972664443 737284773 /nfs/dbraw/zinc/28/47/73/737284773.db2.gz MPDKYNBWASQCFA-QGZVFWFLSA-N 1 1 332.404 0.273 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000972670005 737319636 /nfs/dbraw/zinc/31/96/36/737319636.db2.gz WUTOWZVFLLHDAG-GOSISDBHSA-N 1 1 349.431 0.405 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001023803024 737414047 /nfs/dbraw/zinc/41/40/47/737414047.db2.gz FBTDWWOJDQCQBI-ZIAGYGMSSA-N 1 1 334.420 0.482 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)no1 ZINC001023895814 737466228 /nfs/dbraw/zinc/46/62/28/737466228.db2.gz UHBBTHKTNICXKP-OLZOCXBDSA-N 1 1 335.408 0.746 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001023915597 737479953 /nfs/dbraw/zinc/47/99/53/737479953.db2.gz PBYIFABVKXJUOX-LLVKDONJSA-N 1 1 328.380 0.052 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972705247 737505839 /nfs/dbraw/zinc/50/58/39/737505839.db2.gz SZBCYRKWZQFXMH-QGZVFWFLSA-N 1 1 331.420 0.074 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972705247 737505843 /nfs/dbraw/zinc/50/58/43/737505843.db2.gz SZBCYRKWZQFXMH-QGZVFWFLSA-N 1 1 331.420 0.074 20 30 ECEDMO C=CCN1CC[C@H](N(C)[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000972734980 737569915 /nfs/dbraw/zinc/56/99/15/737569915.db2.gz IOOSMIOZESUEAX-HOTGVXAUSA-N 1 1 346.475 0.402 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCCN(C)C3=O)C2)nc1 ZINC000972750585 737591228 /nfs/dbraw/zinc/59/12/28/737591228.db2.gz BFGJGGRFPCQNQI-WBVHZDCISA-N 1 1 340.427 0.830 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001024122067 737733654 /nfs/dbraw/zinc/73/36/54/737733654.db2.gz MJMCHFGFUGSGCM-RBSFLKMASA-N 1 1 337.464 0.761 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001024137269 737749074 /nfs/dbraw/zinc/74/90/74/737749074.db2.gz JOIKKMQHNYBFKT-BZUAXINKSA-N 1 1 349.475 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)nc1 ZINC001024240077 737846001 /nfs/dbraw/zinc/84/60/01/737846001.db2.gz GRBWDSHNZDXULU-AWEZNQCLSA-N 1 1 339.403 0.228 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2OC)[C@@H](n2ccnn2)C1 ZINC001069995807 790291793 /nfs/dbraw/zinc/29/17/93/790291793.db2.gz AQCRNUNGLGUCGX-KGLIPLIRSA-N 1 1 345.407 0.252 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2OC)[C@@H](n2ccnn2)C1 ZINC001069995807 790291799 /nfs/dbraw/zinc/29/17/99/790291799.db2.gz AQCRNUNGLGUCGX-KGLIPLIRSA-N 1 1 345.407 0.252 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1nnc(C)o1 ZINC001024487416 738014535 /nfs/dbraw/zinc/01/45/35/738014535.db2.gz OMCIGWSLLORMSB-HOTGVXAUSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1nnc(C)o1 ZINC001024487416 738014538 /nfs/dbraw/zinc/01/45/38/738014538.db2.gz OMCIGWSLLORMSB-HOTGVXAUSA-N 1 1 345.447 0.946 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cncn2C)C1=O ZINC001024536923 738076041 /nfs/dbraw/zinc/07/60/41/738076041.db2.gz WTTZRXCNIRUUMV-LSDHHAIUSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cncn2C)C1=O ZINC001024536923 738076045 /nfs/dbraw/zinc/07/60/45/738076045.db2.gz WTTZRXCNIRUUMV-LSDHHAIUSA-N 1 1 345.447 0.791 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001024575807 738122392 /nfs/dbraw/zinc/12/23/92/738122392.db2.gz NXIHQJGULNQFCP-AWEZNQCLSA-N 1 1 339.403 0.665 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CC[C@]2(C)CCC(=O)N2)CC1 ZINC001098589583 738159287 /nfs/dbraw/zinc/15/92/87/738159287.db2.gz XFQPVWCNEWTMEH-SFHVURJKSA-N 1 1 335.448 0.354 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCN(C(C)=O)CC3)[C@H]2C1 ZINC001083269380 738160393 /nfs/dbraw/zinc/16/03/93/738160393.db2.gz AJEMQWIVEOKCBM-DLBZAZTESA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCN(C(C)=O)CC3)[C@H]2C1 ZINC001083269380 738160396 /nfs/dbraw/zinc/16/03/96/738160396.db2.gz AJEMQWIVEOKCBM-DLBZAZTESA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001024622349 738179481 /nfs/dbraw/zinc/17/94/81/738179481.db2.gz VLDDOJDEFICRRR-HUUCEWRRSA-N 1 1 329.448 0.914 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001024649695 738198096 /nfs/dbraw/zinc/19/80/96/738198096.db2.gz XJVOTKCPVOSQHX-AWEZNQCLSA-N 1 1 330.432 0.741 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087308418 738228641 /nfs/dbraw/zinc/22/86/41/738228641.db2.gz PZTVASIAQQDRAU-KCXAZCMYSA-N 1 1 348.447 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnn(C)n2)C1=O ZINC001024706082 738233475 /nfs/dbraw/zinc/23/34/75/738233475.db2.gz RZHOPFOVXGCHMB-HIFRSBDPSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnn(C)n2)C1=O ZINC001024706082 738233476 /nfs/dbraw/zinc/23/34/76/738233476.db2.gz RZHOPFOVXGCHMB-HIFRSBDPSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cccnn2)C1=O ZINC001024729428 738253168 /nfs/dbraw/zinc/25/31/68/738253168.db2.gz OCNJGSHENSVQEQ-ZBFHGGJFSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cccnn2)C1=O ZINC001024729428 738253172 /nfs/dbraw/zinc/25/31/72/738253172.db2.gz OCNJGSHENSVQEQ-ZBFHGGJFSA-N 1 1 343.431 0.848 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001024731081 738254746 /nfs/dbraw/zinc/25/47/46/738254746.db2.gz CBJUGRHFDYFSCJ-JKSUJKDBSA-N 1 1 345.447 0.922 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001024731081 738254750 /nfs/dbraw/zinc/25/47/50/738254750.db2.gz CBJUGRHFDYFSCJ-JKSUJKDBSA-N 1 1 345.447 0.922 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)CC1=O ZINC001038313396 738261921 /nfs/dbraw/zinc/26/19/21/738261921.db2.gz WUESIAMXFHUGIR-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)CC1=O ZINC001038313396 738261923 /nfs/dbraw/zinc/26/19/23/738261923.db2.gz WUESIAMXFHUGIR-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCn2cncn2)nc1 ZINC001024769621 738277619 /nfs/dbraw/zinc/27/76/19/738277619.db2.gz JYCALRKSWLVUOM-MRXNPFEDSA-N 1 1 338.415 0.939 20 30 ECEDMO Cn1cc(C[NH2+]C[C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)nn1 ZINC001024916548 738394176 /nfs/dbraw/zinc/39/41/76/738394176.db2.gz POFQZOMZOKSCQF-CQSZACIVSA-N 1 1 327.392 0.799 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025241192 738905031 /nfs/dbraw/zinc/90/50/31/738905031.db2.gz VFITZAHCRGVOED-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001025280571 739002665 /nfs/dbraw/zinc/00/26/65/739002665.db2.gz PRQMNGDNUNEFHQ-CVEARBPZSA-N 1 1 330.436 0.932 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O ZINC001025286356 739005947 /nfs/dbraw/zinc/00/59/47/739005947.db2.gz JGVRAGRBYNEOHA-GJZGRUSLSA-N 1 1 346.431 0.407 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025297839 739018824 /nfs/dbraw/zinc/01/88/24/739018824.db2.gz QXHFPRFNXJHBDI-GJZGRUSLSA-N 1 1 346.431 0.407 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2nc(C)cc(C#N)n2)C1 ZINC001104579257 739020584 /nfs/dbraw/zinc/02/05/84/739020584.db2.gz LPSPWAJKTJLZAS-DZGCQCFKSA-N 1 1 346.435 0.636 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2nc(C)cc(C#N)n2)C1 ZINC001104579257 739020587 /nfs/dbraw/zinc/02/05/87/739020587.db2.gz LPSPWAJKTJLZAS-DZGCQCFKSA-N 1 1 346.435 0.636 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000973293238 739054771 /nfs/dbraw/zinc/05/47/71/739054771.db2.gz PLFDODJDVMPBJT-BPUTZDHNSA-N 1 1 326.400 0.392 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000973295644 739060373 /nfs/dbraw/zinc/06/03/73/739060373.db2.gz NNHBZURFCPJDMZ-JKQORVJESA-N 1 1 346.431 0.936 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)c3nonc3C)CC2)C1=O ZINC001006474624 751427072 /nfs/dbraw/zinc/42/70/72/751427072.db2.gz ICXXGHQKTBRLEW-AWEZNQCLSA-N 1 1 347.419 0.701 20 30 ECEDMO C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104623039 739256943 /nfs/dbraw/zinc/25/69/43/739256943.db2.gz QSCQIBFRHTZHGN-ZDUSSCGKSA-N 1 1 332.408 0.329 20 30 ECEDMO C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104623309 739257348 /nfs/dbraw/zinc/25/73/48/739257348.db2.gz YHIVGFHWBRCMRK-CYBMUJFWSA-N 1 1 332.408 0.329 20 30 ECEDMO C[C@H](CNc1nccnc1C#N)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001104728022 739554292 /nfs/dbraw/zinc/55/42/92/739554292.db2.gz CRRHWOGRQIUCSW-LLVKDONJSA-N 1 1 343.391 0.970 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CCN(c2nccnc2C#N)CC3)C1 ZINC001058636821 739567780 /nfs/dbraw/zinc/56/77/80/739567780.db2.gz UWBRRDBULCQCAM-UKRRQHHQSA-N 1 1 340.431 0.775 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001025471897 739615717 /nfs/dbraw/zinc/61/57/17/739615717.db2.gz JXHXAKJIUCTDSE-STQMWFEESA-N 1 1 342.399 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001025470488 739626354 /nfs/dbraw/zinc/62/63/54/739626354.db2.gz YJHDGYFQFBSKPH-JKSUJKDBSA-N 1 1 345.443 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001025477361 739634742 /nfs/dbraw/zinc/63/47/42/739634742.db2.gz GVMAFDPYGQQAIG-HUUCEWRRSA-N 1 1 346.431 0.353 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3nnnn3c2)C1 ZINC001025488613 739652461 /nfs/dbraw/zinc/65/24/61/739652461.db2.gz KGCSDIZCWAXEIG-ZIAGYGMSSA-N 1 1 326.404 0.978 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025618027 739780220 /nfs/dbraw/zinc/78/02/20/739780220.db2.gz HYIPULOLKHPQME-QWHCGFSZSA-N 1 1 334.420 0.892 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001025682831 739856541 /nfs/dbraw/zinc/85/65/41/739856541.db2.gz BZVNZPLSOOISEU-RRFJBIMHSA-N 1 1 337.464 0.761 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001025684541 739859388 /nfs/dbraw/zinc/85/93/88/739859388.db2.gz LNTICTVRFRRNMC-RBSFLKMASA-N 1 1 335.448 0.515 20 30 ECEDMO COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001025705351 739883220 /nfs/dbraw/zinc/88/32/20/739883220.db2.gz MPYJKCKTMAPNOV-ALYAQQCSSA-N 1 1 339.395 0.914 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)nn1 ZINC001098604193 739905964 /nfs/dbraw/zinc/90/59/64/739905964.db2.gz JDZMRUKJPQDJLU-LBPRGKRZSA-N 1 1 329.364 0.137 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCOCC2)C1=O ZINC001025761862 739927634 /nfs/dbraw/zinc/92/76/34/739927634.db2.gz WPSZQXSZMFOMSS-FIDHJVLJSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2cnco2)C1 ZINC000988088908 751517829 /nfs/dbraw/zinc/51/78/29/751517829.db2.gz SHBAPRVZOOOIDS-GJZGRUSLSA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2cnco2)C1 ZINC000988088908 751517834 /nfs/dbraw/zinc/51/78/34/751517834.db2.gz SHBAPRVZOOOIDS-GJZGRUSLSA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)[C@H]2CCOC2)C1 ZINC000988089539 751518648 /nfs/dbraw/zinc/51/86/48/751518648.db2.gz WNABOTWZRQMBNO-ULQDDVLXSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)[C@H]2CCOC2)C1 ZINC000988089539 751518653 /nfs/dbraw/zinc/51/86/53/751518653.db2.gz WNABOTWZRQMBNO-ULQDDVLXSA-N 1 1 347.459 0.427 20 30 ECEDMO NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001025938405 740267071 /nfs/dbraw/zinc/26/70/71/740267071.db2.gz XBBPJNGKMSVMAE-WKULXVSPSA-N 1 1 337.423 0.596 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]2(C)CCCOC2)C1=O ZINC001026126603 740390348 /nfs/dbraw/zinc/39/03/48/740390348.db2.gz IGXSEMQKYQOJOB-NTODXPRQSA-N 1 1 347.459 0.636 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)nc3)[C@H]2C1 ZINC001083291644 740491341 /nfs/dbraw/zinc/49/13/41/740491341.db2.gz RIUFNTPZANUEOF-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)nc3)[C@H]2C1 ZINC001083291644 740491345 /nfs/dbraw/zinc/49/13/45/740491345.db2.gz RIUFNTPZANUEOF-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCNC2=O)c1 ZINC001038361420 740725063 /nfs/dbraw/zinc/72/50/63/740725063.db2.gz RQQZKMDYRMDXFW-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCNC2=O)c1 ZINC001038361420 740725068 /nfs/dbraw/zinc/72/50/68/740725068.db2.gz RQQZKMDYRMDXFW-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973994176 740741651 /nfs/dbraw/zinc/74/16/51/740741651.db2.gz FYZRMJQDMJUEQQ-RUZUBIRVSA-N 1 1 329.404 0.461 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001104870072 740770200 /nfs/dbraw/zinc/77/02/00/740770200.db2.gz NPAUEPMFLPSNLP-GZBFAFLISA-N 1 1 346.435 0.635 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001104870072 740770206 /nfs/dbraw/zinc/77/02/06/740770206.db2.gz NPAUEPMFLPSNLP-GZBFAFLISA-N 1 1 346.435 0.635 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](CCNC(=O)C#CC3CC3)C2)O1 ZINC001059855739 751580680 /nfs/dbraw/zinc/58/06/80/751580680.db2.gz AHSJJYCPSRANLM-HYVNUMGLSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](CCNC(=O)C#CC3CC3)C2)O1 ZINC001059855739 751580686 /nfs/dbraw/zinc/58/06/86/751580686.db2.gz AHSJJYCPSRANLM-HYVNUMGLSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H](C)O2 ZINC001098611090 740868448 /nfs/dbraw/zinc/86/84/48/740868448.db2.gz XCNBZXGSMZFKLR-KBPBESRZSA-N 1 1 344.477 0.687 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)CCCN(C)c1cc(C)[nH+]c(CC)n1 ZINC001112063200 740914135 /nfs/dbraw/zinc/91/41/35/740914135.db2.gz RNISHHDBHFBGLZ-UHFFFAOYSA-N 1 1 345.447 0.772 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112068461 741076439 /nfs/dbraw/zinc/07/64/39/741076439.db2.gz AAIVVQVYIUHJRN-IJLUTSLNSA-N 1 1 349.353 0.399 20 30 ECEDMO N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001059857118 751607093 /nfs/dbraw/zinc/60/70/93/751607093.db2.gz NKNIEVHUAFYGLT-MYZSUADSSA-N 1 1 342.403 0.271 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC000982116336 751609540 /nfs/dbraw/zinc/60/95/40/751609540.db2.gz LQAUULUAIDRXKV-UHFFFAOYSA-N 1 1 346.387 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nnc(CC)s1 ZINC001038368491 741227252 /nfs/dbraw/zinc/22/72/52/741227252.db2.gz QHGOYPQOGZXWHA-KBPBESRZSA-N 1 1 347.488 0.889 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nnc(CC)s1 ZINC001038368491 741227256 /nfs/dbraw/zinc/22/72/56/741227256.db2.gz QHGOYPQOGZXWHA-KBPBESRZSA-N 1 1 347.488 0.889 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000974294388 741261812 /nfs/dbraw/zinc/26/18/12/741261812.db2.gz KSJXDSQKFXMSSJ-IXDOHACOSA-N 1 1 340.427 0.924 20 30 ECEDMO CO[C@@H](C)C[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001105217528 741482129 /nfs/dbraw/zinc/48/21/29/741482129.db2.gz CBXVVMYCUNVRRU-NSHDSACASA-N 1 1 343.391 0.299 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3ccnn3C)C2)nn1 ZINC001105224125 741502811 /nfs/dbraw/zinc/50/28/11/741502811.db2.gz YKHURJLQLCBJNF-UHFFFAOYSA-N 1 1 329.408 0.303 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C[C@](C)(O)C=C)C2)nn1 ZINC001105227402 741508414 /nfs/dbraw/zinc/50/84/14/741508414.db2.gz IQSUBXQJGPWSRF-QGZVFWFLSA-N 1 1 349.435 0.281 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105240617 741534239 /nfs/dbraw/zinc/53/42/39/741534239.db2.gz UMUIEVAZACSZJN-QGZVFWFLSA-N 1 1 344.463 0.647 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)c3ccnn3C)C2)nn1 ZINC001105242696 741539630 /nfs/dbraw/zinc/53/96/30/741539630.db2.gz DFJVISOVSICHDC-GFCCVEGCSA-N 1 1 329.408 0.474 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3cc[nH]c3)C2)nn1 ZINC001105247082 741547463 /nfs/dbraw/zinc/54/74/63/741547463.db2.gz NRCOFLLYOAWLEF-UHFFFAOYSA-N 1 1 330.392 0.596 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006670418 751648563 /nfs/dbraw/zinc/64/85/63/751648563.db2.gz DCAGLNUAMCMOLU-WMLDXEAASA-N 1 1 347.459 0.472 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006670418 751648567 /nfs/dbraw/zinc/64/85/67/751648567.db2.gz DCAGLNUAMCMOLU-WMLDXEAASA-N 1 1 347.459 0.472 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C(C)C)C2)nn1 ZINC001105259681 741582047 /nfs/dbraw/zinc/58/20/47/741582047.db2.gz IBHAUXMTPADJAW-CVEARBPZSA-N 1 1 333.436 0.998 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCn4cncc4C3)C2)nn1 ZINC001105272335 741617879 /nfs/dbraw/zinc/61/78/79/741617879.db2.gz HGWACNAHWSUZTD-CYBMUJFWSA-N 1 1 341.419 0.396 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC000982163603 751653457 /nfs/dbraw/zinc/65/34/57/751653457.db2.gz JCMBPNXOVBCTDT-UHFFFAOYSA-N 1 1 346.435 0.268 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N[C@H](C)C3)C2)nn1 ZINC001105275713 741622024 /nfs/dbraw/zinc/62/20/24/741622024.db2.gz ZAHBPCGFLZZPPM-OLZOCXBDSA-N 1 1 346.435 0.242 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312296 741724775 /nfs/dbraw/zinc/72/47/75/741724775.db2.gz JJQZIXBDQVBYES-KBPBESRZSA-N 1 1 330.436 0.115 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cccnc3OC)C2)nn1 ZINC001105319092 741771987 /nfs/dbraw/zinc/77/19/87/741771987.db2.gz YORBSOOSLTUTKU-UHFFFAOYSA-N 1 1 328.376 0.654 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327196 741813038 /nfs/dbraw/zinc/81/30/38/741813038.db2.gz VWYRXPJKBGIKAC-AWEZNQCLSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327196 741813044 /nfs/dbraw/zinc/81/30/44/741813044.db2.gz VWYRXPJKBGIKAC-AWEZNQCLSA-N 1 1 330.436 0.259 20 30 ECEDMO COCc1noc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001026789324 741829533 /nfs/dbraw/zinc/82/95/33/741829533.db2.gz WMGLWGNGILNFBY-NSHDSACASA-N 1 1 344.375 0.668 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)[C@@H]3CCC(=O)N3)C2)nn1 ZINC001105332119 741843669 /nfs/dbraw/zinc/84/36/69/741843669.db2.gz XMVPFASFCAUFPC-DOMZBBRYSA-N 1 1 346.435 0.242 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@]3(C)CN(C(=O)COC)C[C@@]3(C)C2)C1=O ZINC000982181363 751679560 /nfs/dbraw/zinc/67/95/60/751679560.db2.gz MQRKZVOCHOJQSY-JCGIZDLHSA-N 1 1 335.448 0.590 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974596745 741930362 /nfs/dbraw/zinc/93/03/62/741930362.db2.gz VYSIQAGRPXWABP-OAHLLOKOSA-N 1 1 339.403 0.572 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC34CC4)C2)nn1 ZINC001105332804 741986705 /nfs/dbraw/zinc/98/67/05/741986705.db2.gz AAZPPSRQVZLGGI-HNNXBMFYSA-N 1 1 331.420 0.754 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974822917 742218169 /nfs/dbraw/zinc/21/81/69/742218169.db2.gz BTDQNDWNGTZKQT-AWEZNQCLSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974822922 742218342 /nfs/dbraw/zinc/21/83/42/742218342.db2.gz BTDQNDWNGTZKQT-CQSZACIVSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000974897414 742330267 /nfs/dbraw/zinc/33/02/67/742330267.db2.gz SZGREMRFIVCDHU-GFCCVEGCSA-N 1 1 342.407 0.157 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)COC[C@H]3CCOC3)C2)nn1 ZINC001105336447 742366242 /nfs/dbraw/zinc/36/62/42/742366242.db2.gz FAPIEQWHIXEQAH-AWEZNQCLSA-N 1 1 349.435 0.380 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2C[N@H+](Cc3ccc(C#N)cc3)CC2(C)C)n1 ZINC000974952450 742387917 /nfs/dbraw/zinc/38/79/17/742387917.db2.gz WRDDFBMJKFDBGP-AWEZNQCLSA-N 1 1 339.403 0.722 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC2(C)C)n1 ZINC000974952450 742387923 /nfs/dbraw/zinc/38/79/23/742387923.db2.gz WRDDFBMJKFDBGP-AWEZNQCLSA-N 1 1 339.403 0.722 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)c1 ZINC000975012620 742446427 /nfs/dbraw/zinc/44/64/27/742446427.db2.gz RLSMYXZFEPECTN-CVEARBPZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)c1 ZINC000975012620 742446430 /nfs/dbraw/zinc/44/64/30/742446430.db2.gz RLSMYXZFEPECTN-CVEARBPZSA-N 1 1 340.427 0.734 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CCN3C(=O)CCC3=O)C[C@]2(C)C1 ZINC000982233070 751737973 /nfs/dbraw/zinc/73/79/73/751737973.db2.gz ITLKQCJNOINHPQ-DOPJRALCSA-N 1 1 346.431 0.465 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000975185918 742598293 /nfs/dbraw/zinc/59/82/93/742598293.db2.gz NJMRUAXGFHTWAJ-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000982236443 751746711 /nfs/dbraw/zinc/74/67/11/751746711.db2.gz JHVLDZYVXRFGTH-AWBCAMRRSA-N 1 1 332.404 0.122 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@H]3CCCN(C)C3=O)C[C@]2(C)C1 ZINC000982236688 751747031 /nfs/dbraw/zinc/74/70/31/751747031.db2.gz NXVSUJICEZBFQU-NONVJHHQSA-N 1 1 332.448 0.937 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)nc1 ZINC001028935424 742914084 /nfs/dbraw/zinc/91/40/84/742914084.db2.gz CICJSUJQBLWWDU-HNNXBMFYSA-N 1 1 326.400 0.347 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)nc1 ZINC001028935590 742915334 /nfs/dbraw/zinc/91/53/34/742915334.db2.gz HNHCAKUCWAPCBN-AWEZNQCLSA-N 1 1 335.429 0.159 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCS(C)(=O)=O)C2)nc1 ZINC001028935590 742915344 /nfs/dbraw/zinc/91/53/44/742915344.db2.gz HNHCAKUCWAPCBN-AWEZNQCLSA-N 1 1 335.429 0.159 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001028935837 742916155 /nfs/dbraw/zinc/91/61/55/742916155.db2.gz MQJVAAQBGSFDOI-KBPBESRZSA-N 1 1 328.416 0.591 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001027160932 742926364 /nfs/dbraw/zinc/92/63/64/742926364.db2.gz NCOYKBFKNSIIIJ-LBPRGKRZSA-N 1 1 342.378 0.996 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC001028940632 742935211 /nfs/dbraw/zinc/93/52/11/742935211.db2.gz MJVWEYGFHXIVTK-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO CC[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCC[C@]2(CCCOC2)C1 ZINC000261952583 743109868 /nfs/dbraw/zinc/10/98/68/743109868.db2.gz LRDOKCODANQZJW-MJGOQNOKSA-N 1 1 349.523 0.844 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001028231757 751798964 /nfs/dbraw/zinc/79/89/64/751798964.db2.gz VPUINSXBVSXMJI-HUUCEWRRSA-N 1 1 331.420 0.532 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)C1 ZINC000975638745 743171176 /nfs/dbraw/zinc/17/11/76/743171176.db2.gz ZXELZXCFGRACOD-ULQDDVLXSA-N 1 1 345.443 0.180 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)C1 ZINC000975638745 743171179 /nfs/dbraw/zinc/17/11/79/743171179.db2.gz ZXELZXCFGRACOD-ULQDDVLXSA-N 1 1 345.443 0.180 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001028231755 751799223 /nfs/dbraw/zinc/79/92/23/751799223.db2.gz VPUINSXBVSXMJI-CABCVRRESA-N 1 1 331.420 0.532 20 30 ECEDMO Cc1nnc(CNC(N[C@@H]2CN(C3CC3)C[C@H]2C)=[NH+]C2CC2)n1C ZINC000261967820 743197478 /nfs/dbraw/zinc/19/74/78/743197478.db2.gz LWBBTKMKZKOCNA-IAQYHMDHSA-N 1 1 331.468 0.804 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001028231958 751802908 /nfs/dbraw/zinc/80/29/08/751802908.db2.gz ZKGWGXHSEGYPPP-GJZGRUSLSA-N 1 1 331.420 0.532 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)nc1 ZINC000997092745 743225640 /nfs/dbraw/zinc/22/56/40/743225640.db2.gz JLSXBXUVXSIOEO-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000997093887 743226536 /nfs/dbraw/zinc/22/65/36/743226536.db2.gz RVSXMWDOQMSJRL-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CNCc3ncccn3)C2)CC1 ZINC001027233540 743243623 /nfs/dbraw/zinc/24/36/23/743243623.db2.gz DPZSRAZLMPTUIP-INIZCTEOSA-N 1 1 341.459 0.760 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3[nH]cnc3C)C2)C1=O ZINC001029026139 743320313 /nfs/dbraw/zinc/32/03/13/743320313.db2.gz OGXWJWQJBJRDCL-KBPBESRZSA-N 1 1 331.420 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC000975854311 743355814 /nfs/dbraw/zinc/35/58/14/743355814.db2.gz XWTCSPVOCDWGGV-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC000975854311 743355823 /nfs/dbraw/zinc/35/58/23/743355823.db2.gz XWTCSPVOCDWGGV-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(N(C)C)ccn3)C2)nn1 ZINC001105380659 743381934 /nfs/dbraw/zinc/38/19/34/743381934.db2.gz DHQGOZVDFWLIQU-UHFFFAOYSA-N 1 1 341.419 0.712 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CCc3cnc[nH]3)[C@H]2C1 ZINC000975968514 743434785 /nfs/dbraw/zinc/43/47/85/743434785.db2.gz PJCCADFOVNLXRY-IPYPFGDCSA-N 1 1 329.404 0.951 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)C1 ZINC001020584517 751834926 /nfs/dbraw/zinc/83/49/26/751834926.db2.gz DUJGRKQSPZYSIX-IPYPFGDCSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([NH2+][C@@H](CC)C(N)=O)CC2)CC1 ZINC000997365312 743537310 /nfs/dbraw/zinc/53/73/10/743537310.db2.gz RDRUIBUXEOLOBS-INIZCTEOSA-N 1 1 334.464 0.176 20 30 ECEDMO Cn1nnc(C[NH2+]CC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC000997661747 743736420 /nfs/dbraw/zinc/73/64/20/743736420.db2.gz QULLHIWFWPNKQP-UHFFFAOYSA-N 1 1 328.380 0.052 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000988321047 751854169 /nfs/dbraw/zinc/85/41/69/751854169.db2.gz YGUALRYJMDBKPJ-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000988321047 751854180 /nfs/dbraw/zinc/85/41/80/751854180.db2.gz YGUALRYJMDBKPJ-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cocn3)C2)C1=O ZINC001027331025 743767566 /nfs/dbraw/zinc/76/75/66/743767566.db2.gz YNTKSMZMOWNPRX-UKRRQHHQSA-N 1 1 332.404 0.998 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CCC1 ZINC000976309613 743817105 /nfs/dbraw/zinc/81/71/05/743817105.db2.gz QNADGSOZMLFLPH-UIBIWLFHSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CCC1 ZINC000976309613 743817109 /nfs/dbraw/zinc/81/71/09/743817109.db2.gz QNADGSOZMLFLPH-UIBIWLFHSA-N 1 1 329.444 0.847 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000976312800 743820893 /nfs/dbraw/zinc/82/08/93/743820893.db2.gz UHUJSCSZOBORFQ-BARDWOONSA-N 1 1 333.432 0.246 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000976312800 743820897 /nfs/dbraw/zinc/82/08/97/743820897.db2.gz UHUJSCSZOBORFQ-BARDWOONSA-N 1 1 333.432 0.246 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCCC1 ZINC000976353552 743855863 /nfs/dbraw/zinc/85/58/63/743855863.db2.gz CLXWLGIFPWEIKP-VVLHAWIVSA-N 1 1 327.428 0.767 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCCC1 ZINC000976353552 743855866 /nfs/dbraw/zinc/85/58/66/743855866.db2.gz CLXWLGIFPWEIKP-VVLHAWIVSA-N 1 1 327.428 0.767 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001027355007 743920466 /nfs/dbraw/zinc/92/04/66/743920466.db2.gz OPXZVVAVJVUDFB-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCCN(CC(N)=O)CC2)CC1 ZINC000998197194 744044792 /nfs/dbraw/zinc/04/47/92/744044792.db2.gz KNKJALQWQUTWTE-KRWDZBQOSA-N 1 1 348.491 0.520 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000976543680 744065241 /nfs/dbraw/zinc/06/52/41/744065241.db2.gz FAKRRXYOZPNVOP-XBORSJSESA-N 1 1 333.432 0.102 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000976547165 744070781 /nfs/dbraw/zinc/07/07/81/744070781.db2.gz OYYWQUBJUUEKFI-QROFKTNTSA-N 1 1 347.459 0.492 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnnn3C)C2)C1=O ZINC001027392485 744137961 /nfs/dbraw/zinc/13/79/61/744137961.db2.gz RNWFGIKXSFDCNY-ZIAGYGMSSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001006849574 751899553 /nfs/dbraw/zinc/89/95/53/751899553.db2.gz DVHBNQHFCHJJQP-CVEARBPZSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001006849574 751899562 /nfs/dbraw/zinc/89/95/62/751899562.db2.gz DVHBNQHFCHJJQP-CVEARBPZSA-N 1 1 345.447 0.559 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027417420 744291073 /nfs/dbraw/zinc/29/10/73/744291073.db2.gz YAZAQTUOKJTJKP-NSHDSACASA-N 1 1 340.815 0.052 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027417420 744291076 /nfs/dbraw/zinc/29/10/76/744291076.db2.gz YAZAQTUOKJTJKP-NSHDSACASA-N 1 1 340.815 0.052 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000998847867 744370453 /nfs/dbraw/zinc/37/04/53/744370453.db2.gz DFJAZYYVSFZQHH-CYBMUJFWSA-N 1 1 342.407 0.848 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001027434157 744391453 /nfs/dbraw/zinc/39/14/53/744391453.db2.gz KDHIIMPXLIXABG-AWEZNQCLSA-N 1 1 334.420 0.046 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C ZINC000998971595 744441665 /nfs/dbraw/zinc/44/16/65/744441665.db2.gz XWNRHPCSUMQGCQ-PWSUYJOCSA-N 1 1 328.380 0.365 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)C1 ZINC000988357797 751920531 /nfs/dbraw/zinc/92/05/31/751920531.db2.gz HZPCXOHSOPZLAA-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)C1 ZINC000988357797 751920537 /nfs/dbraw/zinc/92/05/37/751920537.db2.gz HZPCXOHSOPZLAA-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nnc(CC)o2)C1 ZINC000999389713 744670157 /nfs/dbraw/zinc/67/01/57/744670157.db2.gz AXQURXSWAPKILY-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nnc(CC)o2)C1 ZINC000999389713 744670166 /nfs/dbraw/zinc/67/01/66/744670166.db2.gz AXQURXSWAPKILY-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3cnsn3)C2)nn1 ZINC000999524788 744738601 /nfs/dbraw/zinc/73/86/01/744738601.db2.gz ZBNROHLUXQOYKM-UHFFFAOYSA-N 1 1 333.421 0.708 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC000977201212 744779446 /nfs/dbraw/zinc/77/94/46/744779446.db2.gz COYMWHZPWLVUOK-LCSDZXHASA-N 1 1 341.415 0.415 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000977212202 744791052 /nfs/dbraw/zinc/79/10/52/744791052.db2.gz YLCVTLREZHWJAB-LGFJLYTPSA-N 1 1 333.432 0.245 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3COCCN3CC)C[C@@]2(C)C1 ZINC000982320303 751952057 /nfs/dbraw/zinc/95/20/57/751952057.db2.gz CZQDWWIGXDPPRN-QRQLOZEOSA-N 1 1 333.476 0.901 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000977331461 744873769 /nfs/dbraw/zinc/87/37/69/744873769.db2.gz XGJKCQHKZTVBKD-STQMWFEESA-N 1 1 329.466 0.423 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cnn(C)n3)C(C)(C)C2)C1=O ZINC000977340669 744879262 /nfs/dbraw/zinc/87/92/62/744879262.db2.gz YHWTXZLCCNBTIL-UONOGXRCSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cnn(C)n3)C(C)(C)C2)C1=O ZINC000977340669 744879264 /nfs/dbraw/zinc/87/92/64/744879264.db2.gz YHWTXZLCCNBTIL-UONOGXRCSA-N 1 1 346.435 0.042 20 30 ECEDMO C#CCN1CCC(C(=O)N(C)C2CC([NH2+]CCn3cncn3)C2)CC1 ZINC000999876135 744983665 /nfs/dbraw/zinc/98/36/65/744983665.db2.gz GULMXUIWPRSMKR-UHFFFAOYSA-N 1 1 344.463 0.202 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3COC(=O)C3)[C@@H](O)C2)c1 ZINC001083406735 744988417 /nfs/dbraw/zinc/98/84/17/744988417.db2.gz UBZDTYDCLZLDAP-OAGGEKHMSA-N 1 1 343.383 0.173 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3COC(=O)C3)[C@@H](O)C2)c1 ZINC001083406735 744988421 /nfs/dbraw/zinc/98/84/21/744988421.db2.gz UBZDTYDCLZLDAP-OAGGEKHMSA-N 1 1 343.383 0.173 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000977445589 744999396 /nfs/dbraw/zinc/99/93/96/744999396.db2.gz IMAABOILRZMHOX-AWEZNQCLSA-N 1 1 347.463 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cscn1 ZINC000977454454 745013556 /nfs/dbraw/zinc/01/35/56/745013556.db2.gz IHZHQLSLQYPJIT-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cscn1 ZINC000977454454 745013561 /nfs/dbraw/zinc/01/35/61/745013561.db2.gz IHZHQLSLQYPJIT-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3COC(=O)C3)[C@@H](O)C2)cc1 ZINC001083407289 745025840 /nfs/dbraw/zinc/02/58/40/745025840.db2.gz NEUXHHNQPXSMOB-OAGGEKHMSA-N 1 1 343.383 0.173 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3COC(=O)C3)[C@@H](O)C2)cc1 ZINC001083407289 745025847 /nfs/dbraw/zinc/02/58/47/745025847.db2.gz NEUXHHNQPXSMOB-OAGGEKHMSA-N 1 1 343.383 0.173 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000977477640 745033384 /nfs/dbraw/zinc/03/33/84/745033384.db2.gz DOBNAIGBCMPTRR-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000977463263 745047694 /nfs/dbraw/zinc/04/76/94/745047694.db2.gz OQWXDLSQIIGFKP-ZDUSSCGKSA-N 1 1 344.419 0.824 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[N@H+](C[C@@H](C)O)CC1(C)C ZINC000977508918 745093389 /nfs/dbraw/zinc/09/33/89/745093389.db2.gz CMSHDBZODHDBJR-HIFRSBDPSA-N 1 1 331.416 0.915 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnns3)nn2)C1 ZINC000999954053 745093372 /nfs/dbraw/zinc/09/33/72/745093372.db2.gz CWIRDYCPIWFWMP-LBPRGKRZSA-N 1 1 331.405 0.330 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnsn3)nn2)C1 ZINC000999954849 745094112 /nfs/dbraw/zinc/09/41/12/745094112.db2.gz HOLQXFJQKMNZQQ-LBPRGKRZSA-N 1 1 333.421 0.883 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C)[nH]3)nn2)C1 ZINC000999961706 745103642 /nfs/dbraw/zinc/10/36/42/745103642.db2.gz IVBDQLOPBKNIOQ-AWEZNQCLSA-N 1 1 327.392 0.510 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccn3C)nn2)C1 ZINC000999965419 745110195 /nfs/dbraw/zinc/11/01/95/745110195.db2.gz IZQSJZVYCOSUDK-OAHLLOKOSA-N 1 1 326.404 0.817 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3C)nn2)C1 ZINC000999969533 745115723 /nfs/dbraw/zinc/11/57/23/745115723.db2.gz WODYECKVKRWNCC-CQSZACIVSA-N 1 1 329.408 0.683 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC[C@@H]2CCN(C(=O)CSCC#N)C2)C1 ZINC001059198276 745116250 /nfs/dbraw/zinc/11/62/50/745116250.db2.gz PIXVYVXICFFJDC-KGLIPLIRSA-N 1 1 338.477 0.550 20 30 ECEDMO N#Cc1cc(C(=O)NCc2cn([C@H]3CC[N@H+](CCCO)C3)nn2)c[nH]1 ZINC000999970611 745118322 /nfs/dbraw/zinc/11/83/22/745118322.db2.gz CICRTOPVXIOXOX-HNNXBMFYSA-N 1 1 343.391 0.037 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ocnc3C)nn2)C1 ZINC000999973641 745122892 /nfs/dbraw/zinc/12/28/92/745122892.db2.gz HFJATMWUMHGYPS-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(OC)no3)nn2)C1 ZINC000999976333 745125728 /nfs/dbraw/zinc/12/57/28/745125728.db2.gz UDDFFFRFQFLAGY-ZDUSSCGKSA-N 1 1 344.375 0.475 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCNC(=O)C3)nn2)C1 ZINC000999979091 745128579 /nfs/dbraw/zinc/12/85/79/745128579.db2.gz ICRZVRFPSSOYHW-UKRRQHHQSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnnn3C)nn2)C1 ZINC000999980564 745130765 /nfs/dbraw/zinc/13/07/65/745130765.db2.gz FMEJDXSIFOVLGJ-CYBMUJFWSA-N 1 1 330.396 0.160 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1 ZINC000999988318 745144321 /nfs/dbraw/zinc/14/43/21/745144321.db2.gz TYUFEOJBWMQJFG-XHSDSOJGSA-N 1 1 349.435 0.115 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)nn2)C1 ZINC000999990353 745147386 /nfs/dbraw/zinc/14/73/86/745147386.db2.gz JUSBSQZQNQNMHU-IAGOWNOFSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999990353 745147391 /nfs/dbraw/zinc/14/73/91/745147391.db2.gz JUSBSQZQNQNMHU-IAGOWNOFSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1 ZINC000999995774 745155625 /nfs/dbraw/zinc/15/56/25/745155625.db2.gz HRGOSSSHFYWLNC-RRFJBIMHSA-N 1 1 339.403 0.301 20 30 ECEDMO C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)nn2)C1 ZINC000999995774 745155629 /nfs/dbraw/zinc/15/56/29/745155629.db2.gz HRGOSSSHFYWLNC-RRFJBIMHSA-N 1 1 339.403 0.301 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)nn2)C1 ZINC000999995774 745155632 /nfs/dbraw/zinc/15/56/32/745155632.db2.gz HRGOSSSHFYWLNC-RRFJBIMHSA-N 1 1 339.403 0.301 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCCO[C@H]3C)nn2)C1 ZINC000999997939 745158502 /nfs/dbraw/zinc/15/85/02/745158502.db2.gz PIAZVRLFGRTKFJ-IMJJTQAJSA-N 1 1 349.435 0.521 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nn2)C1 ZINC001000000270 745161798 /nfs/dbraw/zinc/16/17/98/745161798.db2.gz HVBQLDSOIQYCHF-JHMPBIJASA-N 1 1 343.431 0.751 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(F)c[nH]3)nn2)C1 ZINC001000001881 745165353 /nfs/dbraw/zinc/16/53/53/745165353.db2.gz PFVOLPKCBBBAKO-AWEZNQCLSA-N 1 1 330.367 0.945 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)n3C)nn2)C1 ZINC001000007090 745174252 /nfs/dbraw/zinc/17/42/52/745174252.db2.gz ABYSIRQQGGOJBC-CQSZACIVSA-N 1 1 327.392 0.130 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]nnc3C)nn2)C1 ZINC001000012296 745181010 /nfs/dbraw/zinc/18/10/10/745181010.db2.gz BEDSTQYTELUHNA-CQSZACIVSA-N 1 1 344.423 0.848 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]c(C)nc3C)nn2)C1 ZINC001000019492 745189925 /nfs/dbraw/zinc/18/99/25/745189925.db2.gz DSMYEIJSAWRYRY-HNNXBMFYSA-N 1 1 341.419 0.818 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]c(C)nc3C)nn2)C1 ZINC001000021032 745192202 /nfs/dbraw/zinc/19/22/02/745192202.db2.gz OHIPKPWNLUPTTD-AWEZNQCLSA-N 1 1 329.408 0.981 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(CCC)c3)nn2)C1 ZINC001000026924 745199781 /nfs/dbraw/zinc/19/97/81/745199781.db2.gz XJPVGTPUXDJECF-INIZCTEOSA-N 1 1 341.419 0.695 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001000030659 745204386 /nfs/dbraw/zinc/20/43/86/745204386.db2.gz RVAAQTHNZRDTAF-AWEZNQCLSA-N 1 1 325.376 0.268 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(COC)on3)nn2)C1 ZINC001000031424 745205937 /nfs/dbraw/zinc/20/59/37/745205937.db2.gz NZFAWHUUCCEFQJ-CYBMUJFWSA-N 1 1 346.391 0.775 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3nocc3C)nn2)C1 ZINC001000035967 745213098 /nfs/dbraw/zinc/21/30/98/745213098.db2.gz RPUJWDULPVKKCV-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccc3F)nn2)C1 ZINC001000038622 745217661 /nfs/dbraw/zinc/21/76/61/745217661.db2.gz YCIXQWKCRDVZNJ-CYBMUJFWSA-N 1 1 328.351 0.622 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccc3OC)nn2)C1 ZINC001000045224 745226670 /nfs/dbraw/zinc/22/66/70/745226670.db2.gz OIXGPTBCBBYILK-CQSZACIVSA-N 1 1 340.387 0.492 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]cnc3CC)nn2)C1 ZINC001000045807 745226694 /nfs/dbraw/zinc/22/66/94/745226694.db2.gz QIGBJIXFZBYQAI-ZDUSSCGKSA-N 1 1 327.392 0.374 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)cc1 ZINC001098698091 745250920 /nfs/dbraw/zinc/25/09/20/745250920.db2.gz PSUJRACBIGRSDJ-QGZVFWFLSA-N 1 1 339.399 0.429 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)nn1 ZINC001098698144 745255571 /nfs/dbraw/zinc/25/55/71/745255571.db2.gz QQEAGWBEBZBSMJ-GFCCVEGCSA-N 1 1 331.380 0.080 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000977606207 745259620 /nfs/dbraw/zinc/25/96/20/745259620.db2.gz SOQRLUQOSLUDJI-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC(C)C)C(N)=O)C2)nn1 ZINC001105385289 745266680 /nfs/dbraw/zinc/26/66/80/745266680.db2.gz XBZSSNRPQKVSDU-OAHLLOKOSA-N 1 1 348.451 0.475 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001059231531 745280147 /nfs/dbraw/zinc/28/01/47/745280147.db2.gz SLEVUWHFFMZXEX-JHJVBQTASA-N 1 1 328.420 0.921 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C(C2CC2)C2CC2)C1 ZINC001000176875 745314365 /nfs/dbraw/zinc/31/43/65/745314365.db2.gz KLYXWISJLGRLCK-INIZCTEOSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C(C2CC2)C2CC2)C1 ZINC001000176875 745314372 /nfs/dbraw/zinc/31/43/72/745314372.db2.gz KLYXWISJLGRLCK-INIZCTEOSA-N 1 1 329.444 0.847 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027551062 745389801 /nfs/dbraw/zinc/38/98/01/745389801.db2.gz HRVIHULQHNUCRF-BXUZGUMPSA-N 1 1 347.444 0.724 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001029242598 745424823 /nfs/dbraw/zinc/42/48/23/745424823.db2.gz FVAVJOHSJPYHPT-UPJWGTAASA-N 1 1 347.419 0.152 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001029242598 745424826 /nfs/dbraw/zinc/42/48/26/745424826.db2.gz FVAVJOHSJPYHPT-UPJWGTAASA-N 1 1 347.419 0.152 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC000977735406 745432227 /nfs/dbraw/zinc/43/22/27/745432227.db2.gz XYCQDCDWUZMZIP-UONOGXRCSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn[nH]c3)[C@H]2CC)C1=O ZINC001087509123 745527278 /nfs/dbraw/zinc/52/72/78/745527278.db2.gz RDFSSIIMLLBZAJ-ZNMIVQPWSA-N 1 1 331.420 0.779 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCO3)[C@@H]2C1 ZINC000977842800 745553002 /nfs/dbraw/zinc/55/30/02/745553002.db2.gz VZBNPKKZLNYMCB-FJIDUMEYSA-N 1 1 341.411 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC000977855494 745569975 /nfs/dbraw/zinc/56/99/75/745569975.db2.gz QOBOUOOXMAALJU-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC000977855494 745569978 /nfs/dbraw/zinc/56/99/78/745569978.db2.gz QOBOUOOXMAALJU-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@@H+]([C@H]3CCC(=O)NC3=O)CC2)c1 ZINC001000557453 745593146 /nfs/dbraw/zinc/59/31/46/745593146.db2.gz ASAFIRDMGUBMKG-AWEZNQCLSA-N 1 1 341.371 0.053 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)c1 ZINC001000557453 745593151 /nfs/dbraw/zinc/59/31/51/745593151.db2.gz ASAFIRDMGUBMKG-AWEZNQCLSA-N 1 1 341.371 0.053 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC([C@@H]2[N@@H+](CC(N)=O)CC23CCC3)CC1 ZINC001105391360 745627412 /nfs/dbraw/zinc/62/74/12/745627412.db2.gz CGIKSIIYVOCNLF-ROUUACIJSA-N 1 1 349.475 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccnnc1 ZINC000977916318 745642558 /nfs/dbraw/zinc/64/25/58/745642558.db2.gz FFINRSLFNYKIBW-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccnnc1 ZINC000977916318 745642562 /nfs/dbraw/zinc/64/25/62/745642562.db2.gz FFINRSLFNYKIBW-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1nocc1C ZINC000977917810 745644854 /nfs/dbraw/zinc/64/48/54/745644854.db2.gz JTAFRKQMFATCSN-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1nocc1C ZINC000977917810 745644858 /nfs/dbraw/zinc/64/48/58/745644858.db2.gz JTAFRKQMFATCSN-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000977919494 745647140 /nfs/dbraw/zinc/64/71/40/745647140.db2.gz NPMBLALCZQABFI-ZACQAIPSSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CC(C)(C)O ZINC000977929246 745684747 /nfs/dbraw/zinc/68/47/47/745684747.db2.gz PQVVPBWWKQLEJX-CABCVRRESA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CC(C)(C)O ZINC000977929246 745684751 /nfs/dbraw/zinc/68/47/51/745684751.db2.gz PQVVPBWWKQLEJX-CABCVRRESA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H](O)C(C)C ZINC000977930242 745686639 /nfs/dbraw/zinc/68/66/39/745686639.db2.gz QZAJFTRHYMRBNO-OWCLPIDISA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H](O)C(C)C ZINC000977930242 745686643 /nfs/dbraw/zinc/68/66/43/745686643.db2.gz QZAJFTRHYMRBNO-OWCLPIDISA-N 1 1 335.448 0.160 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)cn1 ZINC001028270727 752029883 /nfs/dbraw/zinc/02/98/83/752029883.db2.gz RIGNQOHYXSVKGZ-HUUCEWRRSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)cn1 ZINC001028270727 752029886 /nfs/dbraw/zinc/02/98/86/752029886.db2.gz RIGNQOHYXSVKGZ-HUUCEWRRSA-N 1 1 340.383 0.062 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccnn1C ZINC001029342316 745758616 /nfs/dbraw/zinc/75/86/16/745758616.db2.gz JFGPHYKAOORTJR-KSZLIROESA-N 1 1 341.459 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccnn1C ZINC001029342316 745758620 /nfs/dbraw/zinc/75/86/20/745758620.db2.gz JFGPHYKAOORTJR-KSZLIROESA-N 1 1 341.459 0.693 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978038753 745814672 /nfs/dbraw/zinc/81/46/72/745814672.db2.gz LZGUPTTXAHKWGF-ZRJCITRHSA-N 1 1 329.404 0.271 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC000978056175 745836067 /nfs/dbraw/zinc/83/60/67/745836067.db2.gz GEUIPBQWJKWKJN-LVQVYYBASA-N 1 1 341.415 0.415 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC001000914846 745893923 /nfs/dbraw/zinc/89/39/23/745893923.db2.gz RMTRIZYXFGMLGA-UHFFFAOYSA-N 1 1 340.383 0.798 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001059337572 746007152 /nfs/dbraw/zinc/00/71/52/746007152.db2.gz LCBQUBFTUBMRMC-OAHLLOKOSA-N 1 1 325.453 0.886 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028072 752053528 /nfs/dbraw/zinc/05/35/28/752053528.db2.gz HEPMPFVUUFFILG-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)COCC=C)C1 ZINC001059340818 746028152 /nfs/dbraw/zinc/02/81/52/746028152.db2.gz ZLGSHPFZLAMLCB-SJORKVTESA-N 1 1 347.459 0.641 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)COCC=C)C1 ZINC001059340818 746028156 /nfs/dbraw/zinc/02/81/56/746028156.db2.gz ZLGSHPFZLAMLCB-SJORKVTESA-N 1 1 347.459 0.641 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028072 752053534 /nfs/dbraw/zinc/05/35/34/752053534.db2.gz HEPMPFVUUFFILG-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c1 ZINC001007028852 752054330 /nfs/dbraw/zinc/05/43/30/752054330.db2.gz KIIIHRHEOYQYHB-KBPBESRZSA-N 1 1 339.403 0.860 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)no1 ZINC001059341804 746039036 /nfs/dbraw/zinc/03/90/36/746039036.db2.gz DDDICXWYHPYMDP-XYPYZODXSA-N 1 1 341.375 0.771 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@@H+](CCn3cncn3)CC2)c1 ZINC001001129915 746099601 /nfs/dbraw/zinc/09/96/01/746099601.db2.gz YFHVHOZYCKFUDP-UHFFFAOYSA-N 1 1 336.399 0.717 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nn4c(c3C)OCCC4)[C@@H]2C1 ZINC000978271827 746121277 /nfs/dbraw/zinc/12/12/77/746121277.db2.gz NBRWHJZZEKXXGI-QKDCVEJESA-N 1 1 328.416 0.905 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)[C@H]3OCC[C@H]3C)CC2)C1=O ZINC001001167577 746131402 /nfs/dbraw/zinc/13/14/02/746131402.db2.gz XMTSIPDPJKHESU-OIISXLGYSA-N 1 1 347.459 0.947 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(NC(C)=O)cn3)[C@@H]2C1 ZINC000978274824 746134847 /nfs/dbraw/zinc/13/48/47/746134847.db2.gz RCNNEIFTTYMFLH-PHZGNYQRSA-N 1 1 326.400 0.971 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC000978285014 746149214 /nfs/dbraw/zinc/14/92/14/746149214.db2.gz USGLTZMTSUOFKA-NXOAAHMSSA-N 1 1 342.443 0.875 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC000978285014 746149217 /nfs/dbraw/zinc/14/92/17/746149217.db2.gz USGLTZMTSUOFKA-NXOAAHMSSA-N 1 1 342.443 0.875 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001059349545 746149659 /nfs/dbraw/zinc/14/96/59/746149659.db2.gz JPVPMGSJRXOWAT-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)nn1 ZINC001027606894 746160453 /nfs/dbraw/zinc/16/04/53/746160453.db2.gz ORJQTOGYQBXQGB-DZGCQCFKSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)nn1 ZINC001027606895 746161162 /nfs/dbraw/zinc/16/11/62/746161162.db2.gz ORJQTOGYQBXQGB-HIFRSBDPSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H]2CC)C1=O ZINC001087693146 746197248 /nfs/dbraw/zinc/19/72/48/746197248.db2.gz YNKABCGONYHZQO-KMIMBKNBSA-N 1 1 347.459 0.635 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2CC)c1 ZINC001087719022 746235273 /nfs/dbraw/zinc/23/52/73/746235273.db2.gz WCLKDDOGUAWQAJ-DLBZAZTESA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2CC)c1 ZINC001087719022 746235276 /nfs/dbraw/zinc/23/52/76/746235276.db2.gz WCLKDDOGUAWQAJ-DLBZAZTESA-N 1 1 340.427 0.924 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)[C@@H]1CC ZINC001087732189 746257672 /nfs/dbraw/zinc/25/76/72/746257672.db2.gz HKCHKHJMVAYHAK-QXSJWSMHSA-N 1 1 333.436 0.875 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)[C@@H]1CC ZINC001087732189 746257674 /nfs/dbraw/zinc/25/76/74/746257674.db2.gz HKCHKHJMVAYHAK-QXSJWSMHSA-N 1 1 333.436 0.875 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3-n3cnnn3)[C@@H]2C1 ZINC000978393152 746271745 /nfs/dbraw/zinc/27/17/45/746271745.db2.gz BGVBZANEWOSJSA-CNDDSTCGSA-N 1 1 330.417 0.817 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1CC ZINC001087746611 746276008 /nfs/dbraw/zinc/27/60/08/746276008.db2.gz HPOLKNQPRSVIAO-UONOGXRCSA-N 1 1 334.420 0.243 20 30 ECEDMO C=CCOc1ccccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000978395414 746276020 /nfs/dbraw/zinc/27/60/20/746276020.db2.gz SLKLIPLNGSZWDK-QKDCVEJESA-N 1 1 329.400 0.644 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)[C@H]1CC ZINC001087746633 746276890 /nfs/dbraw/zinc/27/68/90/746276890.db2.gz IUICEYJORRHQPM-SOUVJXGZSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)[C@H]1CC ZINC001087746633 746276891 /nfs/dbraw/zinc/27/68/91/746276891.db2.gz IUICEYJORRHQPM-SOUVJXGZSA-N 1 1 326.462 0.804 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)[C@@H]2CC)nn1 ZINC001087755019 746288120 /nfs/dbraw/zinc/28/81/20/746288120.db2.gz PCMKOFGMHUXUAB-DZGCQCFKSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H]2CC)nn1 ZINC001087755019 746288123 /nfs/dbraw/zinc/28/81/23/746288123.db2.gz PCMKOFGMHUXUAB-DZGCQCFKSA-N 1 1 348.451 0.525 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cn1c[nH+]cc1C ZINC000978419448 746288944 /nfs/dbraw/zinc/28/89/44/746288944.db2.gz CELJSVJXQGAWIT-OAGGEKHMSA-N 1 1 346.431 0.842 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001001340137 746290333 /nfs/dbraw/zinc/29/03/33/746290333.db2.gz FLSWQWQFTCAPEW-GFCCVEGCSA-N 1 1 329.404 0.416 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC000978408912 746298951 /nfs/dbraw/zinc/29/89/51/746298951.db2.gz MMHFVLMCXJXHMK-TUVASFSCSA-N 1 1 345.447 0.806 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cc3c([nH]c2=O)CCOC3)CC1 ZINC001001360439 746307584 /nfs/dbraw/zinc/30/75/84/746307584.db2.gz RCQBQUMYYHUXJU-UHFFFAOYSA-N 1 1 327.384 0.855 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4sccn4c3=O)[C@@H]2C1 ZINC000978428934 746312267 /nfs/dbraw/zinc/31/22/67/746312267.db2.gz YPTMWQFUYWAQPW-DEZZGGKRSA-N 1 1 342.424 0.687 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)[C@H]1CC ZINC001087778696 746318766 /nfs/dbraw/zinc/31/87/66/746318766.db2.gz NASYUUFXJXDBNP-YQQAZPJKSA-N 1 1 345.447 0.921 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](O)Cn3cccn3)C2)[nH]1 ZINC001007096310 752082437 /nfs/dbraw/zinc/08/24/37/752082437.db2.gz DKIMVLVOEZZHOT-HUUCEWRRSA-N 1 1 342.403 0.338 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1 ZINC000978461742 746343208 /nfs/dbraw/zinc/34/32/08/746343208.db2.gz IEMYWHILVVIAFN-QKDCVEJESA-N 1 1 346.431 0.373 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ncccn3)C2)C1=O ZINC001027625732 746351957 /nfs/dbraw/zinc/35/19/57/746351957.db2.gz SBGLRZHPUNGOOW-CABCVRRESA-N 1 1 343.431 0.800 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041986477 782551849 /nfs/dbraw/zinc/55/18/49/782551849.db2.gz QXYOUGGDFJKXPO-LRDDRELGSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041986477 782551854 /nfs/dbraw/zinc/55/18/54/782551854.db2.gz QXYOUGGDFJKXPO-LRDDRELGSA-N 1 1 344.390 0.996 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3coc4c3C(=O)NCCC4)[C@@H]2C1 ZINC000978494844 746370884 /nfs/dbraw/zinc/37/08/84/746370884.db2.gz CODFQUICMLSAJO-ZSOGYDGISA-N 1 1 341.411 0.887 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)C1=O ZINC001027628985 746373536 /nfs/dbraw/zinc/37/35/36/746373536.db2.gz PGRHXARPZJWSJI-GJZGRUSLSA-N 1 1 345.447 0.662 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC000978519303 746393919 /nfs/dbraw/zinc/39/39/19/746393919.db2.gz FTYUCQITCYAESC-XQLPTFJDSA-N 1 1 329.404 0.236 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2=CCN([C@@H](CC)C(N)=O)CC2)CC1 ZINC001001473200 746414664 /nfs/dbraw/zinc/41/46/64/746414664.db2.gz YHJGTAGWOWMYHD-KRWDZBQOSA-N 1 1 346.475 0.344 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001481756 746420822 /nfs/dbraw/zinc/42/08/22/746420822.db2.gz DTUQQKRLZBVSHX-FZMZJTMJSA-N 1 1 329.404 0.272 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001484599 746423514 /nfs/dbraw/zinc/42/35/14/746423514.db2.gz LYGJWHARWVZRJP-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2coc(CC)n2)C1 ZINC001001517824 746456338 /nfs/dbraw/zinc/45/63/38/746456338.db2.gz YFGSPQMLKWQUQX-HNNXBMFYSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2coc(CC)n2)C1 ZINC001001517824 746456342 /nfs/dbraw/zinc/45/63/42/746456342.db2.gz YFGSPQMLKWQUQX-HNNXBMFYSA-N 1 1 344.415 0.523 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nonc3C)[C@H]2CC)C1=O ZINC001087848802 746487838 /nfs/dbraw/zinc/48/78/38/746487838.db2.gz PIZBTLFXCKRZJJ-MJBXVCDLSA-N 1 1 347.419 0.748 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nonc3C)[C@H]2CC)C1=O ZINC001087848802 746487841 /nfs/dbraw/zinc/48/78/41/746487841.db2.gz PIZBTLFXCKRZJJ-MJBXVCDLSA-N 1 1 347.419 0.748 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001027646963 746500983 /nfs/dbraw/zinc/50/09/83/746500983.db2.gz BRJDEDQWAATUFP-GFCCVEGCSA-N 1 1 330.392 0.530 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)c1c[nH]c(=O)cn1 ZINC000978641005 746533374 /nfs/dbraw/zinc/53/33/74/746533374.db2.gz IDSCGDWSFRREDU-OSYLJGHBSA-N 1 1 348.406 0.729 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000978645009 746537734 /nfs/dbraw/zinc/53/77/34/746537734.db2.gz SIFHWPMDKHWZPC-JONQDZQNSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000978645009 746537737 /nfs/dbraw/zinc/53/77/37/746537737.db2.gz SIFHWPMDKHWZPC-JONQDZQNSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001027653838 746569801 /nfs/dbraw/zinc/56/98/01/746569801.db2.gz INRTVVGDSAMHBP-KBPBESRZSA-N 1 1 344.415 0.504 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3CC)C[C@H]21 ZINC000978710219 746611339 /nfs/dbraw/zinc/61/13/39/746611339.db2.gz DGJNAXVJSHELSI-MTSZKFMLSA-N 1 1 345.447 0.683 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)c1 ZINC000978717135 746617543 /nfs/dbraw/zinc/61/75/43/746617543.db2.gz XXVNZZXPTYNONT-VCOSZWKGSA-N 1 1 326.400 0.105 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC(C)(C)C)C2)C1 ZINC001059396913 746622514 /nfs/dbraw/zinc/62/25/14/746622514.db2.gz IBXDDRRSDJSCRU-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC(C)(C)C)C2)C1 ZINC001059396913 746622516 /nfs/dbraw/zinc/62/25/16/746622516.db2.gz IBXDDRRSDJSCRU-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059397725 746634978 /nfs/dbraw/zinc/63/49/78/746634978.db2.gz XMPMOZLZXHIANJ-CVEARBPZSA-N 1 1 335.448 0.331 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059397725 746634979 /nfs/dbraw/zinc/63/49/79/746634979.db2.gz XMPMOZLZXHIANJ-CVEARBPZSA-N 1 1 335.448 0.331 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001027663364 746644945 /nfs/dbraw/zinc/64/49/45/746644945.db2.gz AMTLVFUGHPHULJ-ZFWWWQNUSA-N 1 1 329.466 0.567 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000978736227 746650826 /nfs/dbraw/zinc/65/08/26/746650826.db2.gz TWLPDPFXNAZLPS-NFAWXSAZSA-N 1 1 343.431 0.853 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087925689 746670669 /nfs/dbraw/zinc/67/06/69/746670669.db2.gz ZTXFKOJGJPYWOY-KGLIPLIRSA-N 1 1 329.404 0.368 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)CC[C@@H]3C2)[nH]1 ZINC001087939059 746688737 /nfs/dbraw/zinc/68/87/37/746688737.db2.gz XKUJLSHLJNQHJG-KGLIPLIRSA-N 1 1 341.415 0.513 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cncc(N4CCCC4)n3)[C@@H]2C1 ZINC000978804574 746725229 /nfs/dbraw/zinc/72/52/29/746725229.db2.gz DBIOITOIVFFHJB-QKDCVEJESA-N 1 1 325.416 0.618 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)C3CC3)[C@@H]2C1 ZINC000978805626 746726585 /nfs/dbraw/zinc/72/65/85/746726585.db2.gz MGEGEYCOXVLWSM-NXOAAHMSSA-N 1 1 329.444 0.705 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001027673167 746734728 /nfs/dbraw/zinc/73/47/28/746734728.db2.gz DYOXTIBBJBJKJK-NEPJUHHUSA-N 1 1 342.827 0.650 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001027673167 746734730 /nfs/dbraw/zinc/73/47/30/746734730.db2.gz DYOXTIBBJBJKJK-NEPJUHHUSA-N 1 1 342.827 0.650 20 30 ECEDMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)n1 ZINC000978845142 746773718 /nfs/dbraw/zinc/77/37/18/746773718.db2.gz XNYPEBLGDFMZFM-PHZGNYQRSA-N 1 1 336.399 0.795 20 30 ECEDMO CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001001903186 746795406 /nfs/dbraw/zinc/79/54/06/746795406.db2.gz ABBNKZDSHFUQHS-HNNXBMFYSA-N 1 1 326.462 0.663 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001001907355 746798781 /nfs/dbraw/zinc/79/87/81/746798781.db2.gz HSKWEDGVBFACHD-SJORKVTESA-N 1 1 329.444 0.849 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007151898 752131269 /nfs/dbraw/zinc/13/12/69/752131269.db2.gz LIPBSUUYKOLSOT-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007151898 752131275 /nfs/dbraw/zinc/13/12/75/752131275.db2.gz LIPBSUUYKOLSOT-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000978954727 746950406 /nfs/dbraw/zinc/95/04/06/746950406.db2.gz XHSNAHRGQALJAE-YVSFHVDLSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000978954727 746950412 /nfs/dbraw/zinc/95/04/12/746950412.db2.gz XHSNAHRGQALJAE-YVSFHVDLSA-N 1 1 347.459 0.664 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001059446285 746980655 /nfs/dbraw/zinc/98/06/55/746980655.db2.gz OPISQMSDRWCMTI-ZQDZILKHSA-N 1 1 342.403 0.271 20 30 ECEDMO N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001059446482 746983632 /nfs/dbraw/zinc/98/36/32/746983632.db2.gz WZVMQVASFKNCLF-KLHDSHLOSA-N 1 1 341.415 0.876 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001059446544 746983782 /nfs/dbraw/zinc/98/37/82/746983782.db2.gz ZDIAITZQHCZIGO-LUKYLMHMSA-N 1 1 341.415 0.876 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3C(=O)N(C)C)[C@@H]2C1 ZINC000978986399 746995111 /nfs/dbraw/zinc/99/51/11/746995111.db2.gz MGEFJWKZUPFIAN-OSYLJGHBSA-N 1 1 325.412 0.929 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)cn1 ZINC000978985838 747021704 /nfs/dbraw/zinc/02/17/04/747021704.db2.gz DZTBNBWGWOFWNM-YYQUZTFQSA-N 1 1 340.427 0.447 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)cn1 ZINC000979005648 747034750 /nfs/dbraw/zinc/03/47/50/747034750.db2.gz PJSJYHKHPAZFNU-MPESAESLSA-N 1 1 326.400 0.105 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c[nH]1 ZINC001007164852 752147329 /nfs/dbraw/zinc/14/73/29/752147329.db2.gz POHIVPKYXIPJOF-ZFWWWQNUSA-N 1 1 339.403 0.860 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C[C@@H]2C1 ZINC001088018495 747073908 /nfs/dbraw/zinc/07/39/08/747073908.db2.gz ALZZXAFSZHSKGD-ILXRZTDVSA-N 1 1 343.431 0.350 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]2C1 ZINC001088028985 747102466 /nfs/dbraw/zinc/10/24/66/747102466.db2.gz QHXZMOVGNSDJQE-HIFRSBDPSA-N 1 1 328.416 0.541 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@@H]2C1 ZINC001088030450 747109131 /nfs/dbraw/zinc/10/91/31/747109131.db2.gz QLHSSGCADDRXFE-CVEARBPZSA-N 1 1 344.459 0.788 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@@H]2C1 ZINC001088030450 747109134 /nfs/dbraw/zinc/10/91/34/747109134.db2.gz QLHSSGCADDRXFE-CVEARBPZSA-N 1 1 344.459 0.788 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H](C)OC ZINC001002234270 747110161 /nfs/dbraw/zinc/11/01/61/747110161.db2.gz YELWHCQRPCRBLT-PMPSAXMXSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H](C)OC ZINC001002234270 747110163 /nfs/dbraw/zinc/11/01/63/747110163.db2.gz YELWHCQRPCRBLT-PMPSAXMXSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088032589 747115535 /nfs/dbraw/zinc/11/55/35/747115535.db2.gz VRURZNRGSVJTBO-OAGGEKHMSA-N 1 1 338.473 0.615 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nonc4C)[C@@H]3C2)C1=O ZINC000979117876 747182393 /nfs/dbraw/zinc/18/23/93/747182393.db2.gz QXGWEEPGUQEIBF-FQUUOJAGSA-N 1 1 345.403 0.073 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@]3(C)C[N@@H+](CC(N)=O)C[C@]3(C)C2)cc1 ZINC000982421115 752163203 /nfs/dbraw/zinc/16/32/03/752163203.db2.gz CDMULBOYUTXLNG-KDURUIRLSA-N 1 1 325.412 0.937 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@]3(C)C[N@H+](CC(N)=O)C[C@]3(C)C2)cc1 ZINC000982421115 752163204 /nfs/dbraw/zinc/16/32/04/752163204.db2.gz CDMULBOYUTXLNG-KDURUIRLSA-N 1 1 325.412 0.937 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(OC)ncnc3OC)[C@@H]2C1 ZINC000979147573 747249580 /nfs/dbraw/zinc/24/95/80/747249580.db2.gz QTSJAVXLASSZHC-XYYAHUGASA-N 1 1 330.388 0.425 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnon2)[C@@H]1CC ZINC000985048624 747301646 /nfs/dbraw/zinc/30/16/46/747301646.db2.gz NIRPLEFATDGULW-CFVMTHIKSA-N 1 1 345.403 0.277 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnon2)[C@@H]1CC ZINC000985048624 747301653 /nfs/dbraw/zinc/30/16/53/747301653.db2.gz NIRPLEFATDGULW-CFVMTHIKSA-N 1 1 345.403 0.277 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088112673 747412459 /nfs/dbraw/zinc/41/24/59/747412459.db2.gz RRNJCAJGDXGSEA-TWMKSMIVSA-N 1 1 347.459 0.590 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ccncc2C#N)C1 ZINC001105409849 747435183 /nfs/dbraw/zinc/43/51/83/747435183.db2.gz NGGJHFHLJOFAOC-MRXNPFEDSA-N 1 1 331.420 0.569 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ccncc2C#N)C1 ZINC001105409849 747435184 /nfs/dbraw/zinc/43/51/84/747435184.db2.gz NGGJHFHLJOFAOC-MRXNPFEDSA-N 1 1 331.420 0.569 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nnnc3C(C)C)C[C@@H]2C1 ZINC001088133633 747461638 /nfs/dbraw/zinc/46/16/38/747461638.db2.gz SIIVLJZWPZXMBB-CABCVRRESA-N 1 1 330.436 0.600 20 30 ECEDMO Cc1nonc1C[NH2+][C@H](C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979262403 747487501 /nfs/dbraw/zinc/48/75/01/747487501.db2.gz CSCXKXPBAUPBAH-IAQYHMDHSA-N 1 1 344.375 0.597 20 30 ECEDMO C[C@H]([NH2+]Cc1nncs1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979264614 747492973 /nfs/dbraw/zinc/49/29/73/747492973.db2.gz FYQOYPWFEBHCOS-GXFFZTMASA-N 1 1 346.416 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001059497086 747507177 /nfs/dbraw/zinc/50/71/77/747507177.db2.gz IHDWDFZKCGERJO-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001059497086 747507180 /nfs/dbraw/zinc/50/71/80/747507180.db2.gz IHDWDFZKCGERJO-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]2C1 ZINC001088152281 747539754 /nfs/dbraw/zinc/53/97/54/747539754.db2.gz VPLQUKDLDULSHR-CVEARBPZSA-N 1 1 330.432 0.826 20 30 ECEDMO Cc1nnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)[nH]1 ZINC000979288407 747540794 /nfs/dbraw/zinc/54/07/94/747540794.db2.gz FWEIDLCBVJAHCH-IINYFYTJSA-N 1 1 343.391 0.332 20 30 ECEDMO C=C(C)CCC(=O)NC1CC[NH+](CCNS(=O)(=O)CC)CC1 ZINC001227606820 747599546 /nfs/dbraw/zinc/59/95/46/747599546.db2.gz AKVODGSPQJTPBH-UHFFFAOYSA-N 1 1 331.482 0.863 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985254943 747601133 /nfs/dbraw/zinc/60/11/33/747601133.db2.gz WDFWZJMSQAKRFD-UHFFFAOYSA-N 1 1 345.432 0.729 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001002645380 747611020 /nfs/dbraw/zinc/61/10/20/747611020.db2.gz WJDKEMQHWGVIMU-IBGZPJMESA-N 1 1 341.455 0.949 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000979328828 747622236 /nfs/dbraw/zinc/62/22/36/747622236.db2.gz HVERDPCJSYRFJA-DBHDPKECSA-N 1 1 349.475 0.929 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1C ZINC000979339824 747640842 /nfs/dbraw/zinc/64/08/42/747640842.db2.gz WEVKVIRASPTJKE-DZGCQCFKSA-N 1 1 345.447 0.496 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)cn1 ZINC001088175256 747677556 /nfs/dbraw/zinc/67/75/56/747677556.db2.gz MTYZYVHXCITZRZ-VYDXJSESSA-N 1 1 338.411 0.345 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]Cc3nnnn3C)C2)C1 ZINC000979373340 747699748 /nfs/dbraw/zinc/69/97/48/747699748.db2.gz DRNOXMRZEPJUCY-CHWSQXEVSA-N 1 1 334.424 0.272 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]Cc3nnnn3C)C2)C1 ZINC000979373343 747700212 /nfs/dbraw/zinc/70/02/12/747700212.db2.gz DRNOXMRZEPJUCY-OLZOCXBDSA-N 1 1 334.424 0.272 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@H]([C@H](C)[NH2+]Cc3nnnn3C)C2)CC1 ZINC000979367464 747713607 /nfs/dbraw/zinc/71/36/07/747713607.db2.gz GATHTTFEZFAMQD-ZFWWWQNUSA-N 1 1 348.451 0.662 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@@H]2C1 ZINC001088206693 747739584 /nfs/dbraw/zinc/73/95/84/747739584.db2.gz AWOCWWNFVQQMOG-SQNIBIBYSA-N 1 1 349.475 0.980 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001027791993 747768986 /nfs/dbraw/zinc/76/89/86/747768986.db2.gz GSZUEEKOUVPRFX-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001027791993 747768991 /nfs/dbraw/zinc/76/89/91/747768991.db2.gz GSZUEEKOUVPRFX-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CS(C)(=O)=O)CC2)C1 ZINC001088229473 747780092 /nfs/dbraw/zinc/78/00/92/747780092.db2.gz RMQAAHBFEIUWNC-OAHLLOKOSA-N 1 1 344.477 0.547 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CO[C@H]2CCN(CC#N)C2)CC1 ZINC001088230366 747782843 /nfs/dbraw/zinc/78/28/43/747782843.db2.gz OMVDVEZEDFYLSV-DLBZAZTESA-N 1 1 334.464 0.934 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@H](OCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001088233155 747789789 /nfs/dbraw/zinc/78/97/89/747789789.db2.gz JHFJVADWPCOVIY-PBHICJAKSA-N 1 1 347.459 0.603 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC001088231292 747791472 /nfs/dbraw/zinc/79/14/72/747791472.db2.gz NTHPWYBRSYCEOL-GOSISDBHSA-N 1 1 349.475 0.281 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 ZINC001088234675 747804427 /nfs/dbraw/zinc/80/44/27/747804427.db2.gz ZOJZGFXMCCAQSZ-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)Cn3ncnn3)CC2)c(F)c1 ZINC001002824810 747836354 /nfs/dbraw/zinc/83/63/54/747836354.db2.gz VLPKIWILHFYNCF-UHFFFAOYSA-N 1 1 343.366 0.465 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001002830871 747849012 /nfs/dbraw/zinc/84/90/12/747849012.db2.gz XBOPAZNVFIANLR-IHRRRGAJSA-N 1 1 339.386 0.560 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001002830871 747849020 /nfs/dbraw/zinc/84/90/20/747849020.db2.gz XBOPAZNVFIANLR-IHRRRGAJSA-N 1 1 339.386 0.560 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(F)cn2)C1 ZINC001002830918 747849087 /nfs/dbraw/zinc/84/90/87/747849087.db2.gz YNFMHKOGYBFCLU-INIZCTEOSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(F)cn2)C1 ZINC001002830918 747849090 /nfs/dbraw/zinc/84/90/90/747849090.db2.gz YNFMHKOGYBFCLU-INIZCTEOSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001002835684 747857414 /nfs/dbraw/zinc/85/74/14/747857414.db2.gz NOZNTKMTPJYLET-NCOADZHNSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001002835684 747857426 /nfs/dbraw/zinc/85/74/26/747857426.db2.gz NOZNTKMTPJYLET-NCOADZHNSA-N 1 1 345.443 0.226 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001088238655 747862729 /nfs/dbraw/zinc/86/27/29/747862729.db2.gz AHUSCTKWIIYXSS-HNNXBMFYSA-N 1 1 333.436 0.944 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 ZINC001088239390 747883985 /nfs/dbraw/zinc/88/39/85/747883985.db2.gz UQBUHYUAZBNOJD-IAGOWNOFSA-N 1 1 347.459 0.618 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001002869021 747899752 /nfs/dbraw/zinc/89/97/52/747899752.db2.gz GETXFUILNFCMEW-IAGOWNOFSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC001088240338 747939301 /nfs/dbraw/zinc/93/93/01/747939301.db2.gz WDQZFNATPYBFTQ-SFHVURJKSA-N 1 1 344.459 0.925 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3nonc3C)CC2)C1 ZINC001088240172 747942369 /nfs/dbraw/zinc/94/23/69/747942369.db2.gz QVNOLEVHHFNBKQ-MRXNPFEDSA-N 1 1 346.431 0.883 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1 ZINC001007256261 752226741 /nfs/dbraw/zinc/22/67/41/752226741.db2.gz CSUSPHPPGXNGMU-HUUCEWRRSA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)s1 ZINC001007257586 752229161 /nfs/dbraw/zinc/22/91/61/752229161.db2.gz HBCMCVZSQVAELN-MFKMUULPSA-N 1 1 334.401 0.809 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)s1 ZINC001007257586 752229164 /nfs/dbraw/zinc/22/91/64/752229164.db2.gz HBCMCVZSQVAELN-MFKMUULPSA-N 1 1 334.401 0.809 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681940 748057163 /nfs/dbraw/zinc/05/71/63/748057163.db2.gz PWKOBRDEPQPKPW-ZDUSSCGKSA-N 1 1 332.379 0.853 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001003043546 748109683 /nfs/dbraw/zinc/10/96/83/748109683.db2.gz PGYKVXVEKNAXAR-HNNXBMFYSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001003043547 748109759 /nfs/dbraw/zinc/10/97/59/748109759.db2.gz PGYKVXVEKNAXAR-OAHLLOKOSA-N 1 1 346.435 0.137 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027830508 748263913 /nfs/dbraw/zinc/26/39/13/748263913.db2.gz CQRSSICGSUEFAC-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027830508 748263920 /nfs/dbraw/zinc/26/39/20/748263920.db2.gz CQRSSICGSUEFAC-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]2C1 ZINC000979714852 748272568 /nfs/dbraw/zinc/27/25/68/748272568.db2.gz QDHIMHNPTKODPP-KKUMJFAQSA-N 1 1 345.443 0.621 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C[C@H]2C1 ZINC000979740532 748322216 /nfs/dbraw/zinc/32/22/16/748322216.db2.gz FNTFUDYGPQFESV-KCQAQPDRSA-N 1 1 326.462 0.824 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001027834975 748356614 /nfs/dbraw/zinc/35/66/14/748356614.db2.gz MHGRAIXYXMMFAI-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027835380 748381728 /nfs/dbraw/zinc/38/17/28/748381728.db2.gz BIDXISIFUAZXCK-CVEARBPZSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027835380 748381733 /nfs/dbraw/zinc/38/17/33/748381733.db2.gz BIDXISIFUAZXCK-CVEARBPZSA-N 1 1 341.415 0.867 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027835455 748383963 /nfs/dbraw/zinc/38/39/63/748383963.db2.gz CROULDCOHHZFSG-LSDHHAIUSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3csnn3)C2)C1=O ZINC001029795207 748446675 /nfs/dbraw/zinc/44/66/75/748446675.db2.gz PPDUIPDMLBJRCI-OCCSQVGLSA-N 1 1 349.460 0.719 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3n[nH]nc3C)C2)C1=O ZINC001029799501 748465743 /nfs/dbraw/zinc/46/57/43/748465743.db2.gz YRDXLJKXGKFGPZ-KGLIPLIRSA-N 1 1 346.435 0.294 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001029799501 748465756 /nfs/dbraw/zinc/46/57/56/748465756.db2.gz YRDXLJKXGKFGPZ-KGLIPLIRSA-N 1 1 346.435 0.294 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCNC3=O)CC2)s1 ZINC001003427251 748543482 /nfs/dbraw/zinc/54/34/82/748543482.db2.gz KGIBQDOMMMDNHC-AWEZNQCLSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)c(F)c1 ZINC001003431461 748549410 /nfs/dbraw/zinc/54/94/10/748549410.db2.gz JBNRGQIRKMDQKY-OAHLLOKOSA-N 1 1 344.390 0.914 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001059587014 748614069 /nfs/dbraw/zinc/61/40/69/748614069.db2.gz BFHFSALBJGELQZ-SCRDCRAPSA-N 1 1 330.392 0.046 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001059587014 748614074 /nfs/dbraw/zinc/61/40/74/748614074.db2.gz BFHFSALBJGELQZ-SCRDCRAPSA-N 1 1 330.392 0.046 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001029826601 748627505 /nfs/dbraw/zinc/62/75/05/748627505.db2.gz SKONIBMIZWZWHD-DYVFJYSZSA-N 1 1 335.452 0.991 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001029840243 748693621 /nfs/dbraw/zinc/69/36/21/748693621.db2.gz UNAYYNOSFWMAPU-XKQJLSEDSA-N 1 1 340.427 0.960 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001029841032 748694656 /nfs/dbraw/zinc/69/46/56/748694656.db2.gz IHQGQWIYJQBORP-ZACQAIPSSA-N 1 1 340.427 0.960 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC001003594043 748710194 /nfs/dbraw/zinc/71/01/94/748710194.db2.gz JBGNGJWAHJVNNI-UHFFFAOYSA-N 1 1 340.427 0.880 20 30 ECEDMO COc1ccc(C[N@@H+](C)C2CCN(C(=O)C(N)=O)CC2)cc1C#N ZINC000985612264 748745533 /nfs/dbraw/zinc/74/55/33/748745533.db2.gz FNDUSBCMMCRIFB-UHFFFAOYSA-N 1 1 330.388 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnn(C)c2)C1 ZINC000979967101 748758362 /nfs/dbraw/zinc/75/83/62/748758362.db2.gz GARIAURZIKCHAI-BPUTZDHNSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnn(C)c2)C1 ZINC000979967101 748758367 /nfs/dbraw/zinc/75/83/67/748758367.db2.gz GARIAURZIKCHAI-BPUTZDHNSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC000979967247 748759284 /nfs/dbraw/zinc/75/92/84/748759284.db2.gz JNZOAEHTKIITCC-OBJOEFQTSA-N 1 1 347.394 0.271 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC000979967247 748759289 /nfs/dbraw/zinc/75/92/89/748759289.db2.gz JNZOAEHTKIITCC-OBJOEFQTSA-N 1 1 347.394 0.271 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000979967420 748759858 /nfs/dbraw/zinc/75/98/58/748759858.db2.gz KXRKDYOHKNKKIE-OVYGPGRDSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000979967420 748759860 /nfs/dbraw/zinc/75/98/60/748759860.db2.gz KXRKDYOHKNKKIE-OVYGPGRDSA-N 1 1 347.459 0.663 20 30 ECEDMO COCCN(CCNC(=O)Cn1cc[nH+]c1C)c1cnc(C#N)cn1 ZINC001126348874 752299422 /nfs/dbraw/zinc/29/94/22/752299422.db2.gz BDEYQFAJTYHWGD-UHFFFAOYSA-N 1 1 343.391 0.122 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001003665300 748774629 /nfs/dbraw/zinc/77/46/29/748774629.db2.gz PMMBIHCCZIQIQE-HNNXBMFYSA-N 1 1 343.431 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001003665300 748774634 /nfs/dbraw/zinc/77/46/34/748774634.db2.gz PMMBIHCCZIQIQE-HNNXBMFYSA-N 1 1 343.431 0.312 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001059608995 748788347 /nfs/dbraw/zinc/78/83/47/748788347.db2.gz NOVIZFPADLSXJO-GJZGRUSLSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001059608995 748788349 /nfs/dbraw/zinc/78/83/49/748788349.db2.gz NOVIZFPADLSXJO-GJZGRUSLSA-N 1 1 343.431 0.476 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058816034 748793725 /nfs/dbraw/zinc/79/37/25/748793725.db2.gz GJLZSGDAMLHSHU-QGZVFWFLSA-N 1 1 327.469 0.868 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001003726107 748832885 /nfs/dbraw/zinc/83/28/85/748832885.db2.gz MEAGCEDZEIRRPN-UHFFFAOYSA-N 1 1 340.811 0.031 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)co2)C1 ZINC001003753839 748863094 /nfs/dbraw/zinc/86/30/94/748863094.db2.gz UOJCRXCAPKAMRP-HNNXBMFYSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)co2)C1 ZINC001003753839 748863100 /nfs/dbraw/zinc/86/31/00/748863100.db2.gz UOJCRXCAPKAMRP-HNNXBMFYSA-N 1 1 329.400 0.874 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC[NH+](Cc3cnc(C)nc3)CC2)nn1 ZINC001003759358 748867223 /nfs/dbraw/zinc/86/72/23/748867223.db2.gz JJUHPQKDEMZCNB-UHFFFAOYSA-N 1 1 341.419 0.957 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000985696414 748886993 /nfs/dbraw/zinc/88/69/93/748886993.db2.gz JEKYTARLNJWJPX-CQSZACIVSA-N 1 1 329.466 0.519 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817931 748908245 /nfs/dbraw/zinc/90/82/45/748908245.db2.gz XBOLCCPSWOLXHB-HUUCEWRRSA-N 1 1 327.469 0.724 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nc(C)oc2C)C1 ZINC001003848453 748968985 /nfs/dbraw/zinc/96/89/85/748968985.db2.gz BHJDUUAFRMMHQE-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nc(C)oc2C)C1 ZINC001003848453 748968987 /nfs/dbraw/zinc/96/89/87/748968987.db2.gz BHJDUUAFRMMHQE-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]nc2C)C1 ZINC000980109558 748988720 /nfs/dbraw/zinc/98/87/20/748988720.db2.gz ZPKBBPBUYBBEAS-DZKIICNBSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]nc2C)C1 ZINC000980109558 748988726 /nfs/dbraw/zinc/98/87/26/748988726.db2.gz ZPKBBPBUYBBEAS-DZKIICNBSA-N 1 1 343.431 0.440 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000980131520 749059387 /nfs/dbraw/zinc/05/93/87/749059387.db2.gz ASEGRYFIOHYPIP-LRVUVFPRSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC000985780725 749078722 /nfs/dbraw/zinc/07/87/22/749078722.db2.gz FEKSSBNZLPKVBD-UHFFFAOYSA-N 1 1 328.800 0.214 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001059645755 749090094 /nfs/dbraw/zinc/09/00/94/749090094.db2.gz IBSFXJHXCVPUQD-MRXNPFEDSA-N 1 1 337.464 0.723 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnsn2)C1 ZINC001111613583 749102777 /nfs/dbraw/zinc/10/27/77/749102777.db2.gz FXILRNVWUAHZOO-NHYWBVRUSA-N 1 1 335.433 0.425 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnsn2)C1 ZINC001111613583 749102781 /nfs/dbraw/zinc/10/27/81/749102781.db2.gz FXILRNVWUAHZOO-NHYWBVRUSA-N 1 1 335.433 0.425 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccnc4c3nnn4C)C[C@@H]2C1 ZINC000980177685 749111002 /nfs/dbraw/zinc/11/10/02/749111002.db2.gz YOZHHWPWLABYGX-MJBXVCDLSA-N 1 1 338.415 0.827 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001059648292 749113435 /nfs/dbraw/zinc/11/34/35/749113435.db2.gz QAHMCMLGSWLGFG-HOCLYGCPSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccoc3CC(N)=O)C[C@H]2C1 ZINC000980174135 749123103 /nfs/dbraw/zinc/12/31/03/749123103.db2.gz PPULLPPFUFYEGQ-MELADBBJSA-N 1 1 329.400 0.771 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059654828 749151538 /nfs/dbraw/zinc/15/15/38/749151538.db2.gz YCKDMHSQEPVXFF-MBNYWOFBSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059654828 749151543 /nfs/dbraw/zinc/15/15/43/749151543.db2.gz YCKDMHSQEPVXFF-MBNYWOFBSA-N 1 1 330.392 0.128 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC000985822532 749170472 /nfs/dbraw/zinc/17/04/72/749170472.db2.gz GGSNDYRIGIIBLU-IXDOHACOSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000985822632 749171476 /nfs/dbraw/zinc/17/14/76/749171476.db2.gz LUGXQYJMYUTCJK-UHFFFAOYSA-N 1 1 344.415 0.798 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C3(C)CC3)CC2)CC1 ZINC000985827947 749188324 /nfs/dbraw/zinc/18/83/24/749188324.db2.gz DIONKGNJAXBXEA-UHFFFAOYSA-N 1 1 332.448 0.692 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]2C1 ZINC000980204744 749198710 /nfs/dbraw/zinc/19/87/10/749198710.db2.gz BBNZYTAMRWSPDT-SRVKXCTJSA-N 1 1 346.387 0.360 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)C[C@H]2C1 ZINC000980213963 749207701 /nfs/dbraw/zinc/20/77/01/749207701.db2.gz YNXVGOGGZZBVDT-AEGPPILISA-N 1 1 328.416 0.967 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccncn3)C2)C1=O ZINC001029869515 749217546 /nfs/dbraw/zinc/21/75/46/749217546.db2.gz KSZHQPTZPVQYGH-HOCLYGCPSA-N 1 1 343.431 0.657 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 ZINC000980228978 749224951 /nfs/dbraw/zinc/22/49/51/749224951.db2.gz GXXUAEIHJCWJJN-KKUMJFAQSA-N 1 1 333.436 0.293 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC000980240179 749244679 /nfs/dbraw/zinc/24/46/79/749244679.db2.gz CNODYNNINBVRNZ-IHRRRGAJSA-N 1 1 334.420 0.283 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]2C1 ZINC000980241214 749245920 /nfs/dbraw/zinc/24/59/20/749245920.db2.gz IORGMFWNENMGEK-NWANDNLSSA-N 1 1 328.416 0.967 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC000980241775 749246633 /nfs/dbraw/zinc/24/66/33/749246633.db2.gz GFEGPFAHVGQSLP-XQQFMLRXSA-N 1 1 329.404 0.592 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(CC(N)=O)nn3)C[C@H]2C1 ZINC000980251821 749257695 /nfs/dbraw/zinc/25/76/95/749257695.db2.gz GPWXWRDSPDAARH-IHRRRGAJSA-N 1 1 346.435 0.170 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC000980253230 749259852 /nfs/dbraw/zinc/25/98/52/749259852.db2.gz MGULSJPSKMIWQJ-ZNMIVQPWSA-N 1 1 333.432 0.928 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC000980253946 749260789 /nfs/dbraw/zinc/26/07/89/749260789.db2.gz OBHIOJHOWWKFGN-KKUMJFAQSA-N 1 1 331.416 0.375 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC001004198875 749305085 /nfs/dbraw/zinc/30/50/85/749305085.db2.gz KHJCMCFLQJBDER-SUMWQHHRSA-N 1 1 340.427 0.449 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CCNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001059674118 749334633 /nfs/dbraw/zinc/33/46/33/749334633.db2.gz JHZGRPBMDLPWGZ-HIFRSBDPSA-N 1 1 343.431 0.806 20 30 ECEDMO Cn1nnnc1C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C#CC2CC2)CC1 ZINC001004431475 749488783 /nfs/dbraw/zinc/48/87/83/749488783.db2.gz YATMVMSQDNWLRU-MRXNPFEDSA-N 1 1 342.447 0.827 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004460153 749527237 /nfs/dbraw/zinc/52/72/37/749527237.db2.gz XNULALKNDTVKFE-MSOLQXFVSA-N 1 1 333.476 0.779 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C)nn1 ZINC000986102739 749544218 /nfs/dbraw/zinc/54/42/18/749544218.db2.gz QWZNAFMCSMKWES-FZMZJTMJSA-N 1 1 327.392 0.891 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)n1C ZINC000986178601 749637379 /nfs/dbraw/zinc/63/73/79/749637379.db2.gz VIPKTSHONAKYQC-BXUZGUMPSA-N 1 1 341.419 0.970 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000986182183 749640870 /nfs/dbraw/zinc/64/08/70/749640870.db2.gz IDVNYHPDZFSHOL-WCQYABFASA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001004576051 749649228 /nfs/dbraw/zinc/64/92/28/749649228.db2.gz LLCFIRLVCSSKFL-OAHLLOKOSA-N 1 1 331.416 0.375 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cnnn2)CC1 ZINC001004587173 749657920 /nfs/dbraw/zinc/65/79/20/749657920.db2.gz XPPRFKRSWOSJTM-MRXNPFEDSA-N 1 1 330.436 0.790 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccn(C)n1 ZINC001027943528 749660807 /nfs/dbraw/zinc/66/08/07/749660807.db2.gz NHCGWMNLCLWKPN-IRXDYDNUSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccn(C)n1 ZINC001027943528 749660809 /nfs/dbraw/zinc/66/08/09/749660809.db2.gz NHCGWMNLCLWKPN-IRXDYDNUSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001004590942 749661918 /nfs/dbraw/zinc/66/19/18/749661918.db2.gz IIEQREMVUKYONG-KRWDZBQOSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2nc(C)ccc2=O)CC1 ZINC001004600681 749671098 /nfs/dbraw/zinc/67/10/98/749671098.db2.gz GVPRPTOUJWJNGW-KRWDZBQOSA-N 1 1 342.443 0.888 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001004610148 749683239 /nfs/dbraw/zinc/68/32/39/749683239.db2.gz NWSUJTVCFUFDMR-GJZGRUSLSA-N 1 1 348.447 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001004626240 749703704 /nfs/dbraw/zinc/70/37/04/749703704.db2.gz XBTTZNZTVGGYGG-HNNXBMFYSA-N 1 1 331.416 0.472 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000980549874 749735319 /nfs/dbraw/zinc/73/53/19/749735319.db2.gz MILSAKZMCFAFPU-NCZKRNLISA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001004794354 749876064 /nfs/dbraw/zinc/87/60/64/749876064.db2.gz ADMVNMLJNOKESO-FZMZJTMJSA-N 1 1 342.407 0.583 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000986479523 749950268 /nfs/dbraw/zinc/95/02/68/749950268.db2.gz CYGHWDLMLCSCDO-PMPSAXMXSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000986479523 749950271 /nfs/dbraw/zinc/95/02/71/749950271.db2.gz CYGHWDLMLCSCDO-PMPSAXMXSA-N 1 1 349.475 0.836 20 30 ECEDMO Cn1ncc(C[N@H+](C)CC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001029953453 750059737 /nfs/dbraw/zinc/05/97/37/750059737.db2.gz XDXRLDKANYVEMH-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1ncc(C[N@@H+](C)CC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001029953453 750059759 /nfs/dbraw/zinc/05/97/59/750059759.db2.gz XDXRLDKANYVEMH-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC001029956299 750070007 /nfs/dbraw/zinc/07/00/07/750070007.db2.gz NAAXILUZWIYWMH-INIZCTEOSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027973388 750112779 /nfs/dbraw/zinc/11/27/79/750112779.db2.gz PTYWBINDUKXGBW-LBPRGKRZSA-N 1 1 325.390 0.145 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)C[N@H+](C)CC(C)(C)C ZINC001058850246 750189229 /nfs/dbraw/zinc/18/92/29/750189229.db2.gz IRTPOXGXKSZDQN-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](CNCc3cnon3)C[C@H]2C)CC1 ZINC000980816752 750212567 /nfs/dbraw/zinc/21/25/67/750212567.db2.gz VTUGOCQMHWZOBN-CABCVRRESA-N 1 1 345.447 0.741 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[N@@H+](C[C@H]3CCc4ncnn43)CC2)c1 ZINC000980917220 750351239 /nfs/dbraw/zinc/35/12/39/750351239.db2.gz GBDNRXQZNVYNFP-CQSZACIVSA-N 1 1 339.403 0.813 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000980917256 750351412 /nfs/dbraw/zinc/35/14/12/750351412.db2.gz HTCKPLJOIKLFMN-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000980917256 750351422 /nfs/dbraw/zinc/35/14/22/750351422.db2.gz HTCKPLJOIKLFMN-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001075885422 750437683 /nfs/dbraw/zinc/43/76/83/750437683.db2.gz VYCAWZPBAPFFLL-IJEWVQPXSA-N 1 1 330.432 0.955 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001075885422 750437685 /nfs/dbraw/zinc/43/76/85/750437685.db2.gz VYCAWZPBAPFFLL-IJEWVQPXSA-N 1 1 330.432 0.955 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnn3CC)[C@H]2C)C1=O ZINC001088541324 750447545 /nfs/dbraw/zinc/44/75/45/750447545.db2.gz XCLWLXZJNSTWNH-YCPHGPKFSA-N 1 1 345.447 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnn3CC)[C@H]2C)C1=O ZINC001088541324 750447547 /nfs/dbraw/zinc/44/75/47/750447547.db2.gz XCLWLXZJNSTWNH-YCPHGPKFSA-N 1 1 345.447 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccnn3C)[C@H]2C)C1=O ZINC001088544920 750490018 /nfs/dbraw/zinc/49/00/18/750490018.db2.gz FUBSLLSLOZNZCR-KBMXLJTQSA-N 1 1 345.447 0.329 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088550375 750634187 /nfs/dbraw/zinc/63/41/87/750634187.db2.gz YHGOETYHKBJNPU-BYCMXARLSA-N 1 1 328.372 0.746 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1Cc1ccccc1C#N ZINC001088550375 750634190 /nfs/dbraw/zinc/63/41/90/750634190.db2.gz YHGOETYHKBJNPU-BYCMXARLSA-N 1 1 328.372 0.746 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001005804123 750655617 /nfs/dbraw/zinc/65/56/17/750655617.db2.gz LNZZWCWOMVMVCR-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001059789915 750671020 /nfs/dbraw/zinc/67/10/20/750671020.db2.gz FCZBLXYEKRGHNU-MRXNPFEDSA-N 1 1 337.464 0.721 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059794288 750754006 /nfs/dbraw/zinc/75/40/06/750754006.db2.gz FFQVYMQERFCCGX-ZNMIVQPWSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059794288 750754014 /nfs/dbraw/zinc/75/40/14/750754014.db2.gz FFQVYMQERFCCGX-ZNMIVQPWSA-N 1 1 344.419 0.517 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cc[nH]c2C)C1 ZINC001005885594 750760759 /nfs/dbraw/zinc/76/07/59/750760759.db2.gz KKKAFGSJURNFGU-DYVFJYSZSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cc[nH]c2C)C1 ZINC001005885594 750760760 /nfs/dbraw/zinc/76/07/60/750760760.db2.gz KKKAFGSJURNFGU-DYVFJYSZSA-N 1 1 342.443 0.997 20 30 ECEDMO C=C(C)C[N@@H+]1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC000981582868 750836354 /nfs/dbraw/zinc/83/63/54/750836354.db2.gz NJRNCDMEGMTPKK-UHFFFAOYSA-N 1 1 334.420 0.614 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cnn(C)c1 ZINC001075889392 750837250 /nfs/dbraw/zinc/83/72/50/750837250.db2.gz SVRMCWFRRABYLL-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cnn(C)c1 ZINC001075889392 750837257 /nfs/dbraw/zinc/83/72/57/750837257.db2.gz SVRMCWFRRABYLL-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC000981584254 750838662 /nfs/dbraw/zinc/83/86/62/750838662.db2.gz YOQPTFKXBDRNJZ-UHFFFAOYSA-N 1 1 332.404 0.061 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC000981584254 750838670 /nfs/dbraw/zinc/83/86/70/750838670.db2.gz YOQPTFKXBDRNJZ-UHFFFAOYSA-N 1 1 332.404 0.061 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001028108967 750894111 /nfs/dbraw/zinc/89/41/11/750894111.db2.gz BKKUXCWDENQRPC-CABCVRRESA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1F ZINC001028109541 750913773 /nfs/dbraw/zinc/91/37/73/750913773.db2.gz KGBASXGADCPXNP-DZGCQCFKSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1F ZINC001028109541 750913774 /nfs/dbraw/zinc/91/37/74/750913774.db2.gz KGBASXGADCPXNP-DZGCQCFKSA-N 1 1 345.378 0.459 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001006016691 750927464 /nfs/dbraw/zinc/92/74/64/750927464.db2.gz QGWJJBXYWKIGKX-CVEARBPZSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)c4ccon4)C3)C2)C1=O ZINC000981645730 750929745 /nfs/dbraw/zinc/92/97/45/750929745.db2.gz JCWDDFFOSFROAJ-HNNXBMFYSA-N 1 1 344.415 1.000 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCN2C(=O)CNC2=O)CC1 ZINC001028116555 750990703 /nfs/dbraw/zinc/99/07/03/750990703.db2.gz HOEQDKZUXINTBQ-OAHLLOKOSA-N 1 1 348.447 0.865 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CCC[N@H+]([C@H]2CCNC2=O)C3)c[nH]1 ZINC000981722344 751001895 /nfs/dbraw/zinc/00/18/95/751001895.db2.gz QHULWYNQGAABNJ-AWEZNQCLSA-N 1 1 327.388 0.313 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC[NH+]([C@@H](C)C(=O)NC)CC2)nn1 ZINC001006101070 751016232 /nfs/dbraw/zinc/01/62/32/751016232.db2.gz CHGLGXHRYFERBY-LBPRGKRZSA-N 1 1 334.424 0.135 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001006109719 751023303 /nfs/dbraw/zinc/02/33/03/751023303.db2.gz BBAFVUWOBTVNPT-WCQYABFASA-N 1 1 329.404 0.415 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001006110425 751023838 /nfs/dbraw/zinc/02/38/38/751023838.db2.gz CDYFRJWEJJLSOG-NEPJUHHUSA-N 1 1 329.404 0.415 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC000981767524 751078847 /nfs/dbraw/zinc/07/88/47/751078847.db2.gz QABZPVDGUMEYPK-AWEZNQCLSA-N 1 1 341.415 0.320 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006186739 751102341 /nfs/dbraw/zinc/10/23/41/751102341.db2.gz LIYRNIZNPRGHKU-CZUORRHYSA-N 1 1 333.432 0.084 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006186739 751102342 /nfs/dbraw/zinc/10/23/42/751102342.db2.gz LIYRNIZNPRGHKU-CZUORRHYSA-N 1 1 333.432 0.084 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC000981789241 751104283 /nfs/dbraw/zinc/10/42/83/751104283.db2.gz AAZZYWJXHFFCRJ-UHFFFAOYSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CCCC[N@H+](CCO)C1CCN(C(=O)C(=O)NCC2CC2)CC1 ZINC001098514010 751129969 /nfs/dbraw/zinc/12/99/69/751129969.db2.gz HJKYUUNHJAQKDT-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCCC2=O)c1 ZINC001028128199 751137281 /nfs/dbraw/zinc/13/72/81/751137281.db2.gz BOYMOFSWTIUMKP-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)CCn3ncn(C)c3=O)C2)C1 ZINC000981917486 751275305 /nfs/dbraw/zinc/27/53/05/751275305.db2.gz AIOWPNMQLCSJQU-UHFFFAOYSA-N 1 1 333.436 0.472 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001087436132 751315636 /nfs/dbraw/zinc/31/56/36/751315636.db2.gz ZVEIEOPPGAHALC-NVXWUHKLSA-N 1 1 336.395 0.991 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001087436132 751315640 /nfs/dbraw/zinc/31/56/40/751315640.db2.gz ZVEIEOPPGAHALC-NVXWUHKLSA-N 1 1 336.395 0.991 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000988621220 752401241 /nfs/dbraw/zinc/40/12/41/752401241.db2.gz KEJKLSSOLYYVPB-BXUZGUMPSA-N 1 1 327.392 0.891 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1OC ZINC001212024198 752418195 /nfs/dbraw/zinc/41/81/95/752418195.db2.gz MRSSGOSKBKCGEE-ARFHVFGLSA-N 1 1 328.453 0.802 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCN3C(C)=O)C2)nn1 ZINC001105365126 752442960 /nfs/dbraw/zinc/44/29/60/752442960.db2.gz IESKFUPVJJDWPV-INIZCTEOSA-N 1 1 346.435 0.338 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001059910875 752446268 /nfs/dbraw/zinc/44/62/68/752446268.db2.gz ABZJWGWJIXGKGH-WMLDXEAASA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001059910875 752446274 /nfs/dbraw/zinc/44/62/74/752446274.db2.gz ABZJWGWJIXGKGH-WMLDXEAASA-N 1 1 343.431 0.616 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C3(C(=O)NC)CCC3)C2)nn1 ZINC001105366283 752461634 /nfs/dbraw/zinc/46/16/34/752461634.db2.gz GSHQOWKKOOOFHU-UHFFFAOYSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccn(C)n2)C1 ZINC001007519356 752475960 /nfs/dbraw/zinc/47/59/60/752475960.db2.gz PHLBQIBMYCKVSS-RDJZCZTQSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccn(C)n2)C1 ZINC001007519356 752475963 /nfs/dbraw/zinc/47/59/63/752475963.db2.gz PHLBQIBMYCKVSS-RDJZCZTQSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nccc(C)n2)C1 ZINC001007520064 752477005 /nfs/dbraw/zinc/47/70/05/752477005.db2.gz XNACKNALAOZKND-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nccc(C)n2)C1 ZINC001007520064 752477013 /nfs/dbraw/zinc/47/70/13/752477013.db2.gz XNACKNALAOZKND-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@]2(C)C1 ZINC000982498538 752558970 /nfs/dbraw/zinc/55/89/70/752558970.db2.gz YHBDTBGTPXKXES-TUKIKUTGSA-N 1 1 326.828 0.591 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@]2(C)C1 ZINC000982498538 752558977 /nfs/dbraw/zinc/55/89/77/752558977.db2.gz YHBDTBGTPXKXES-TUKIKUTGSA-N 1 1 326.828 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cnoc2)[C@@H]1C ZINC000988736938 752634907 /nfs/dbraw/zinc/63/49/07/752634907.db2.gz SVNSXLSPRFQEFS-KBMXLJTQSA-N 1 1 344.415 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cnoc2)[C@@H]1C ZINC000988736938 752634913 /nfs/dbraw/zinc/63/49/13/752634913.db2.gz SVNSXLSPRFQEFS-KBMXLJTQSA-N 1 1 344.415 0.420 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028448969 752677808 /nfs/dbraw/zinc/67/78/08/752677808.db2.gz RALGZUMJQAOPQS-XJKSGUPXSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C#CC1CC1 ZINC000988752948 752680073 /nfs/dbraw/zinc/68/00/73/752680073.db2.gz KVBDTUQEGVOKEV-LUYZLQTOSA-N 1 1 333.432 0.225 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C#CC1CC1 ZINC000988752948 752680075 /nfs/dbraw/zinc/68/00/75/752680075.db2.gz KVBDTUQEGVOKEV-LUYZLQTOSA-N 1 1 333.432 0.225 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001028452006 752689077 /nfs/dbraw/zinc/68/90/77/752689077.db2.gz CZYCKQWMANHMOG-LSDHHAIUSA-N 1 1 345.447 0.865 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](CNC(=O)c3[nH]nc(C)c3C)C2)C1=O ZINC001028452006 752689079 /nfs/dbraw/zinc/68/90/79/752689079.db2.gz CZYCKQWMANHMOG-LSDHHAIUSA-N 1 1 345.447 0.865 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C#CC2CC2)CCO3)C1 ZINC001007657592 752726091 /nfs/dbraw/zinc/72/60/91/752726091.db2.gz NESNPIGOLJCCBU-VQIMIIECSA-N 1 1 345.443 0.181 20 30 ECEDMO C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)nn1 ZINC001098645724 752805370 /nfs/dbraw/zinc/80/53/70/752805370.db2.gz UQYHGKNKQLMWKI-HNNXBMFYSA-N 1 1 327.392 0.130 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028486192 752821891 /nfs/dbraw/zinc/82/18/91/752821891.db2.gz CGGSXRYHOVUQPR-BBRMVZONSA-N 1 1 343.431 0.947 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028488895 752824527 /nfs/dbraw/zinc/82/45/27/752824527.db2.gz JUENGFNYTMTQFI-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2csc([C@@H]3CCCO3)n2)[C@@H](O)C1 ZINC001083461385 752883777 /nfs/dbraw/zinc/88/37/77/752883777.db2.gz ZNCCVNYVPDIOBJ-XBFCOCLRSA-N 1 1 335.429 0.793 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2csc([C@@H]3CCCO3)n2)[C@@H](O)C1 ZINC001083461385 752883779 /nfs/dbraw/zinc/88/37/79/752883779.db2.gz ZNCCVNYVPDIOBJ-XBFCOCLRSA-N 1 1 335.429 0.793 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001007801875 752942946 /nfs/dbraw/zinc/94/29/46/752942946.db2.gz SXROMAQSQSIFGP-ZDUSSCGKSA-N 1 1 328.372 0.630 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001007801874 752943484 /nfs/dbraw/zinc/94/34/84/752943484.db2.gz SXROMAQSQSIFGP-CYBMUJFWSA-N 1 1 328.372 0.630 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC(N)=O)C1 ZINC001007856090 752997249 /nfs/dbraw/zinc/99/72/49/752997249.db2.gz CDJVMPNYRLTJOJ-CQSZACIVSA-N 1 1 329.400 0.768 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC(N)=O)C1 ZINC001007856090 752997251 /nfs/dbraw/zinc/99/72/51/752997251.db2.gz CDJVMPNYRLTJOJ-CQSZACIVSA-N 1 1 329.400 0.768 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028518524 753013632 /nfs/dbraw/zinc/01/36/32/753013632.db2.gz CSNXTSPFPIUUMM-ZJUUUORDSA-N 1 1 332.198 0.442 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028518524 753013635 /nfs/dbraw/zinc/01/36/35/753013635.db2.gz CSNXTSPFPIUUMM-ZJUUUORDSA-N 1 1 332.198 0.442 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn[nH]c2)C(C)(C)C1 ZINC001007920698 753072786 /nfs/dbraw/zinc/07/27/86/753072786.db2.gz RINAUCDEBYLMGW-LSDHHAIUSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn[nH]c2)C(C)(C)C1 ZINC001007920698 753072790 /nfs/dbraw/zinc/07/27/90/753072790.db2.gz RINAUCDEBYLMGW-LSDHHAIUSA-N 1 1 343.431 0.474 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001028532048 753077904 /nfs/dbraw/zinc/07/79/04/753077904.db2.gz NMXQVDUQFXQESG-GFCCVEGCSA-N 1 1 327.816 0.729 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001028532048 753077912 /nfs/dbraw/zinc/07/79/12/753077912.db2.gz NMXQVDUQFXQESG-GFCCVEGCSA-N 1 1 327.816 0.729 20 30 ECEDMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCCC#N)cc2)CC1 ZINC000426447833 753094677 /nfs/dbraw/zinc/09/46/77/753094677.db2.gz NGNACIYQBLHYGT-UHFFFAOYSA-N 1 1 329.404 0.787 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001028548803 753110429 /nfs/dbraw/zinc/11/04/29/753110429.db2.gz HNJNKGHRUGNHMJ-BMFZPTHFSA-N 1 1 335.448 0.684 20 30 ECEDMO C#CCC1(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCOC)nn3)C2)CCC1 ZINC001098680125 753184203 /nfs/dbraw/zinc/18/42/03/753184203.db2.gz ACYLRIWDOODXSN-MRXNPFEDSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000982636571 753185198 /nfs/dbraw/zinc/18/51/98/753185198.db2.gz APRKTGHRYCRFAI-WBVHZDCISA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000982636571 753185202 /nfs/dbraw/zinc/18/52/02/753185202.db2.gz APRKTGHRYCRFAI-WBVHZDCISA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000989066238 753204084 /nfs/dbraw/zinc/20/40/84/753204084.db2.gz RTKBAHGFMIAQPR-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000989066238 753204089 /nfs/dbraw/zinc/20/40/89/753204089.db2.gz RTKBAHGFMIAQPR-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000982658237 753231628 /nfs/dbraw/zinc/23/16/28/753231628.db2.gz UQELCGYEGBQOKO-CHWSQXEVSA-N 1 1 329.404 0.416 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC001008058206 753251465 /nfs/dbraw/zinc/25/14/65/753251465.db2.gz KCQDNYZXTBWWHW-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(-c3ccco3)o2)C1 ZINC001051493941 762203544 /nfs/dbraw/zinc/20/35/44/762203544.db2.gz CHJWSTGHITWXGO-NEPJUHHUSA-N 1 1 345.359 0.806 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001028578859 753333443 /nfs/dbraw/zinc/33/34/43/753333443.db2.gz VXRFNXIZCBIXQB-ZIAGYGMSSA-N 1 1 343.855 0.672 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001028578859 753333446 /nfs/dbraw/zinc/33/34/46/753333446.db2.gz VXRFNXIZCBIXQB-ZIAGYGMSSA-N 1 1 343.855 0.672 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccon2)CC1(C)C ZINC001008279808 753542262 /nfs/dbraw/zinc/54/22/62/753542262.db2.gz YKBFLZRPTVDQEM-LSDHHAIUSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccon2)CC1(C)C ZINC001008279808 753542268 /nfs/dbraw/zinc/54/22/68/753542268.db2.gz YKBFLZRPTVDQEM-LSDHHAIUSA-N 1 1 344.415 0.739 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)nn1 ZINC001098680739 753583122 /nfs/dbraw/zinc/58/31/22/753583122.db2.gz IRGDPCQITRSACZ-ZFWWWQNUSA-N 1 1 346.435 0.196 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CCCO3)[C@@H](O)C2)c1 ZINC001083351403 753644116 /nfs/dbraw/zinc/64/41/16/753644116.db2.gz CHZQHLZHOMEIDN-BBWFWOEESA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CCCO3)[C@@H](O)C2)c1 ZINC001083351403 753644120 /nfs/dbraw/zinc/64/41/20/753644120.db2.gz CHZQHLZHOMEIDN-BBWFWOEESA-N 1 1 329.400 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2cnco2)C(C)(C)C1 ZINC001008369690 753666261 /nfs/dbraw/zinc/66/62/61/753666261.db2.gz PJXYNEIIDPNKRC-ZFWWWQNUSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2cnco2)C(C)(C)C1 ZINC001008369690 753666266 /nfs/dbraw/zinc/66/62/66/753666266.db2.gz PJXYNEIIDPNKRC-ZFWWWQNUSA-N 1 1 344.415 0.739 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)nn1 ZINC001098682840 753682159 /nfs/dbraw/zinc/68/21/59/753682159.db2.gz ICXGQGNTCBQCEZ-MRXNPFEDSA-N 1 1 343.435 0.612 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083368436 753703580 /nfs/dbraw/zinc/70/35/80/753703580.db2.gz NCAJQBYOVVZBNO-SQNIBIBYSA-N 1 1 345.418 0.433 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083368658 753704539 /nfs/dbraw/zinc/70/45/39/753704539.db2.gz SQGIBRQJJRAOAT-KFWWJZLASA-N 1 1 334.445 0.375 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001059972247 753736659 /nfs/dbraw/zinc/73/66/59/753736659.db2.gz KTFALHHKLYQWJF-DLBZAZTESA-N 1 1 349.475 0.723 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)[C@@H]2C1 ZINC001075939063 753761776 /nfs/dbraw/zinc/76/17/76/753761776.db2.gz WCRGIXJKQVTJFW-SQWLQELKSA-N 1 1 328.416 0.624 20 30 ECEDMO CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)C1 ZINC001083392770 753794752 /nfs/dbraw/zinc/79/47/52/753794752.db2.gz XXKKBYJLAJUGST-GLVOJVMSSA-N 1 1 332.404 0.476 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)nn1 ZINC001098685958 753800167 /nfs/dbraw/zinc/80/01/67/753800167.db2.gz VRYDAIQLGUAQDD-UKRRQHHQSA-N 1 1 346.435 0.196 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2nccnc2C#N)C1 ZINC001105532260 753801233 /nfs/dbraw/zinc/80/12/33/753801233.db2.gz UYOBEEZZFFZQMZ-OAHLLOKOSA-N 1 1 346.435 0.352 20 30 ECEDMO CN(CCN(C)c1ncccc1C#N)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583297 753864751 /nfs/dbraw/zinc/86/47/51/753864751.db2.gz RHYOPENMFFODTB-CVEARBPZSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583146 753864784 /nfs/dbraw/zinc/86/47/84/753864784.db2.gz KXVUQRIPKHPFCD-KBPBESRZSA-N 1 1 344.419 0.106 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3cnn(C)n3)C2)CC1 ZINC000982892855 754104532 /nfs/dbraw/zinc/10/45/32/754104532.db2.gz ZFDYLGJWMXZLMX-DZGCQCFKSA-N 1 1 346.435 0.462 20 30 ECEDMO Cc1ccnc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC001051524199 762275287 /nfs/dbraw/zinc/27/52/87/762275287.db2.gz RUENRISLXOYBSG-AWEZNQCLSA-N 1 1 340.387 0.616 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+]Cc3cscn3)C2)c1 ZINC001051526151 762277067 /nfs/dbraw/zinc/27/70/67/762277067.db2.gz GEHTWNKJVBFGSP-ZDUSSCGKSA-N 1 1 331.401 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cccnc2)C1 ZINC000982920715 754199201 /nfs/dbraw/zinc/19/92/01/754199201.db2.gz FRBXVNHTZFQWDR-WBVHZDCISA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cccnc2)C1 ZINC000982920715 754199203 /nfs/dbraw/zinc/19/92/03/754199203.db2.gz FRBXVNHTZFQWDR-WBVHZDCISA-N 1 1 340.427 0.758 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989661006 754269079 /nfs/dbraw/zinc/26/90/79/754269079.db2.gz FDTDHHOFMAIIND-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001008952799 754353533 /nfs/dbraw/zinc/35/35/33/754353533.db2.gz PEYWZPAOLBDZOA-AYDFFVQHSA-N 1 1 341.415 0.415 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC000989730993 754358928 /nfs/dbraw/zinc/35/89/28/754358928.db2.gz SQGISJLMZUNESG-BBRMVZONSA-N 1 1 338.415 0.513 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3nonc3C)C2)C1=O ZINC001009035025 754460987 /nfs/dbraw/zinc/46/09/87/754460987.db2.gz AUCJUTZPBZBEKB-HIFRSBDPSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3nonc3C)C2)C1=O ZINC001009035025 754460989 /nfs/dbraw/zinc/46/09/89/754460989.db2.gz AUCJUTZPBZBEKB-HIFRSBDPSA-N 1 1 347.419 0.288 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C)c1 ZINC000989805535 754479311 /nfs/dbraw/zinc/47/93/11/754479311.db2.gz QICJVHGGDKGMJR-KMFMINBZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001009119431 754550701 /nfs/dbraw/zinc/55/07/01/754550701.db2.gz ANBYUZIPDKFIFG-AWEZNQCLSA-N 1 1 331.420 0.847 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000990002094 754637139 /nfs/dbraw/zinc/63/71/39/754637139.db2.gz QNNHETBKLMAPMA-GUTXKFCHSA-N 1 1 343.431 0.947 20 30 ECEDMO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1CCC(=O)N1 ZINC001009264053 754720932 /nfs/dbraw/zinc/72/09/32/754720932.db2.gz PWMIDWUZLIINAP-IRXDYDNUSA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCC(=O)N1 ZINC001009264053 754720934 /nfs/dbraw/zinc/72/09/34/754720934.db2.gz PWMIDWUZLIINAP-IRXDYDNUSA-N 1 1 325.412 0.897 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC001009269802 754726650 /nfs/dbraw/zinc/72/66/50/754726650.db2.gz PSHZSJDJNBPJHA-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC001009269802 754726652 /nfs/dbraw/zinc/72/66/52/754726652.db2.gz PSHZSJDJNBPJHA-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC001009274122 754731054 /nfs/dbraw/zinc/73/10/54/754731054.db2.gz HJFKGIHJWYZLOV-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC001009274122 754731059 /nfs/dbraw/zinc/73/10/59/754731059.db2.gz HJFKGIHJWYZLOV-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC001009274076 754731094 /nfs/dbraw/zinc/73/10/94/754731094.db2.gz HJFKGIHJWYZLOV-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC001009274076 754731099 /nfs/dbraw/zinc/73/10/99/754731099.db2.gz HJFKGIHJWYZLOV-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990158827 754784800 /nfs/dbraw/zinc/78/48/00/754784800.db2.gz AGJVKFNWZXZCSM-PZSREKOKSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3coc(OC)n3)C2)C1=O ZINC001028716661 754821041 /nfs/dbraw/zinc/82/10/41/754821041.db2.gz DAZXNHCHENMFDF-GXTWGEPZSA-N 1 1 348.403 0.522 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)C1=O ZINC000990254801 754881599 /nfs/dbraw/zinc/88/15/99/754881599.db2.gz WVEBOPLEHUFJFZ-MPGHIAIKSA-N 1 1 341.415 0.844 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)cc1 ZINC001028732867 754901861 /nfs/dbraw/zinc/90/18/61/754901861.db2.gz QFIKMTWSVOEMDN-WBVHZDCISA-N 1 1 325.412 0.950 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)c3cnc(C)[nH]3)CC2)C1=O ZINC000990287536 754924994 /nfs/dbraw/zinc/92/49/94/754924994.db2.gz MUHNLWGLVNMJIS-CQSZACIVSA-N 1 1 331.420 0.699 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990289285 754927250 /nfs/dbraw/zinc/92/72/50/754927250.db2.gz OZHJISLUDIVCFX-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=O)NC2CC2)CC3)[nH]1 ZINC000990279247 754935946 /nfs/dbraw/zinc/93/59/46/754935946.db2.gz YUHMKBNGJOYLBB-MAUKXSAKSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)NC2CC2)CC3)[nH]1 ZINC000990279247 754935951 /nfs/dbraw/zinc/93/59/51/754935951.db2.gz YUHMKBNGJOYLBB-MAUKXSAKSA-N 1 1 341.415 0.892 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001028740495 754939265 /nfs/dbraw/zinc/93/92/65/754939265.db2.gz RAYBNJDECMZLKR-HZPDHXFCSA-N 1 1 341.415 0.520 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC001028743961 754950908 /nfs/dbraw/zinc/95/09/08/754950908.db2.gz FZSMCFPGMPDTOY-CQSZACIVSA-N 1 1 325.376 0.334 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(C)n3)C2)CC1 ZINC001009624935 755083213 /nfs/dbraw/zinc/08/32/13/755083213.db2.gz BTQRAVZGICXKGL-MRXNPFEDSA-N 1 1 344.463 0.539 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000983307804 755125303 /nfs/dbraw/zinc/12/53/03/755125303.db2.gz YALXMDOHUBVGNR-KBPBESRZSA-N 1 1 343.431 0.949 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCOC)c1cnc(C#N)cn1 ZINC001126433657 755253394 /nfs/dbraw/zinc/25/33/94/755253394.db2.gz GTAHLSOCEDOUJA-UHFFFAOYSA-N 1 1 348.451 0.648 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cncnc4)[C@@H]3C2)C1=O ZINC001075717136 755260514 /nfs/dbraw/zinc/26/05/14/755260514.db2.gz YQFAXVRGGUHLDU-NUEKZKHPSA-N 1 1 341.415 0.410 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)cc1 ZINC001028849365 755302076 /nfs/dbraw/zinc/30/20/76/755302076.db2.gz BAMDJCWPFCEEPY-GJZGRUSLSA-N 1 1 343.427 0.885 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001028853773 755314249 /nfs/dbraw/zinc/31/42/49/755314249.db2.gz YECISOUVFXKRNG-ZFWWWQNUSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001028853160 755315553 /nfs/dbraw/zinc/31/55/53/755315553.db2.gz QTGMROLFIWSCLE-UKRRQHHQSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]([C@H](C)c3nc(C)no3)C2)nn1 ZINC001028853117 755315674 /nfs/dbraw/zinc/31/56/74/755315674.db2.gz PISHVKPZOBZPOW-YPMHNXCESA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)c3nc(C)no3)C2)nn1 ZINC001028853117 755315675 /nfs/dbraw/zinc/31/56/75/755315675.db2.gz PISHVKPZOBZPOW-YPMHNXCESA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001028855144 755317100 /nfs/dbraw/zinc/31/71/00/755317100.db2.gz VTVJADZRPIXFQU-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cncn3C)C2)nn1 ZINC001028854891 755317166 /nfs/dbraw/zinc/31/71/66/755317166.db2.gz OPKPDBOTMHHOCL-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001028857635 755322555 /nfs/dbraw/zinc/32/25/55/755322555.db2.gz ZJFSYKRFRGESBK-UWWQBHOKSA-N 1 1 340.427 0.672 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000990524152 755335711 /nfs/dbraw/zinc/33/57/11/755335711.db2.gz OKESFONCBDGCAQ-JYJNAYRXSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3nccs3)C2)C1=O ZINC001028885618 755383894 /nfs/dbraw/zinc/38/38/94/755383894.db2.gz BBWSCSJBMIYPLP-CHWSQXEVSA-N 1 1 334.445 0.982 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cn(CC)nn3)C2)C1=O ZINC001028897205 755426324 /nfs/dbraw/zinc/42/63/24/755426324.db2.gz GDRMWMUVGAPEJS-ZFWWWQNUSA-N 1 1 346.435 0.137 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cn(CCOC)nn3)CCC[C@@H]12 ZINC000990592886 755460672 /nfs/dbraw/zinc/46/06/72/755460672.db2.gz YQQIRHFVSVHERQ-NVXWUHKLSA-N 1 1 331.420 0.675 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC001075962635 755489679 /nfs/dbraw/zinc/48/96/79/755489679.db2.gz OUGZJHDHMVJOPQ-CMPLNLGQSA-N 1 1 325.390 0.259 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)[C@@H](O)C1 ZINC001083484229 755644324 /nfs/dbraw/zinc/64/43/24/755644324.db2.gz ZUWFEMOFBOOARH-OAGGEKHMSA-N 1 1 337.464 0.763 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCCC3=O)C2)cc1 ZINC001010103529 755652487 /nfs/dbraw/zinc/65/24/87/755652487.db2.gz DDVFLGUFVUWUAR-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ccon1 ZINC001075995422 755657486 /nfs/dbraw/zinc/65/74/86/755657486.db2.gz MTFPPUQFFZWHNT-ZFWWWQNUSA-N 1 1 332.404 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ccon1 ZINC001075995422 755657490 /nfs/dbraw/zinc/65/74/90/755657490.db2.gz MTFPPUQFFZWHNT-ZFWWWQNUSA-N 1 1 332.404 0.326 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088793257 755707212 /nfs/dbraw/zinc/70/72/12/755707212.db2.gz AUELNGAVENEHNG-OIISXLGYSA-N 1 1 325.412 0.753 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1CC#Cc1ccccc1 ZINC001088793257 755707216 /nfs/dbraw/zinc/70/72/16/755707216.db2.gz AUELNGAVENEHNG-OIISXLGYSA-N 1 1 325.412 0.753 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2cccc3OC)[C@@H](O)C1 ZINC001083502040 755746149 /nfs/dbraw/zinc/74/61/49/755746149.db2.gz QWEXYCAGUVCRSV-HIFRSBDPSA-N 1 1 330.388 0.694 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(=O)NC)CC2 ZINC000990736825 755803881 /nfs/dbraw/zinc/80/38/81/755803881.db2.gz FMOAWRDERMBLRF-LLDVTBCESA-N 1 1 335.448 0.827 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)[C@@H](O)C1 ZINC001083513744 755821683 /nfs/dbraw/zinc/82/16/83/755821683.db2.gz WWVKXILOCHZVII-XQQFMLRXSA-N 1 1 336.440 0.269 20 30 ECEDMO C=CCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(C)=O)CC1 ZINC001105676853 755870493 /nfs/dbraw/zinc/87/04/93/755870493.db2.gz ZLWUBAVIERWFTA-CALCHBBNSA-N 1 1 334.464 0.448 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010255092 755891266 /nfs/dbraw/zinc/89/12/66/755891266.db2.gz NISWUCSSIXXPGL-RDJZCZTQSA-N 1 1 345.399 0.673 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001010255092 755891272 /nfs/dbraw/zinc/89/12/72/755891272.db2.gz NISWUCSSIXXPGL-RDJZCZTQSA-N 1 1 345.399 0.673 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001060087642 755917172 /nfs/dbraw/zinc/91/71/72/755917172.db2.gz JTOLMOWUWBZXEY-GJZGRUSLSA-N 1 1 342.447 0.762 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088828812 755960908 /nfs/dbraw/zinc/96/09/08/755960908.db2.gz VRWIMSUXJFIDOD-ONERCXAPSA-N 1 1 345.378 0.458 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088828812 755960910 /nfs/dbraw/zinc/96/09/10/755960910.db2.gz VRWIMSUXJFIDOD-ONERCXAPSA-N 1 1 345.378 0.458 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)c3ccccc32)[C@@H](O)C1 ZINC001083538240 755985983 /nfs/dbraw/zinc/98/59/83/755985983.db2.gz OZEGQPAPCKGELN-JZXOWHBKSA-N 1 1 327.428 0.795 20 30 ECEDMO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076028947 756017268 /nfs/dbraw/zinc/01/72/68/756017268.db2.gz RYELVQANZRDAJI-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076028947 756017273 /nfs/dbraw/zinc/01/72/73/756017273.db2.gz RYELVQANZRDAJI-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001010337059 756018607 /nfs/dbraw/zinc/01/86/07/756018607.db2.gz CBCKHLXRZOUMTD-ZIAGYGMSSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001010337059 756018615 /nfs/dbraw/zinc/01/86/15/756018615.db2.gz CBCKHLXRZOUMTD-ZIAGYGMSSA-N 1 1 331.420 0.320 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1C#N ZINC001010380765 756063223 /nfs/dbraw/zinc/06/32/23/756063223.db2.gz FXIGHPOAWWWQLH-HUUCEWRRSA-N 1 1 342.399 0.536 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1C#N ZINC001010380765 756063227 /nfs/dbraw/zinc/06/32/27/756063227.db2.gz FXIGHPOAWWWQLH-HUUCEWRRSA-N 1 1 342.399 0.536 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001010453584 756147610 /nfs/dbraw/zinc/14/76/10/756147610.db2.gz DJZSUNQGTWSLMQ-TZMCWYRMSA-N 1 1 330.388 0.378 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001010453584 756147613 /nfs/dbraw/zinc/14/76/13/756147613.db2.gz DJZSUNQGTWSLMQ-TZMCWYRMSA-N 1 1 330.388 0.378 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CO[C@@H](C)CC ZINC001076185905 756187572 /nfs/dbraw/zinc/18/75/72/756187572.db2.gz RTKCOIONAMMYCY-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CO[C@@H](C)CC ZINC001076185905 756187576 /nfs/dbraw/zinc/18/75/76/756187576.db2.gz RTKCOIONAMMYCY-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001010598006 756293593 /nfs/dbraw/zinc/29/35/93/756293593.db2.gz YFDYCKQORQIIBQ-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001010598006 756293594 /nfs/dbraw/zinc/29/35/94/756293594.db2.gz YFDYCKQORQIIBQ-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO CC(C)(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 ZINC001051608569 762457020 /nfs/dbraw/zinc/45/70/20/762457020.db2.gz DVTZKVUFIMQLGK-MRXNPFEDSA-N 1 1 345.447 0.764 20 30 ECEDMO O=C(C#CC1CC1)N1CCO[C@H](C[NH2+]Cc2noc3c2COCC3)C1 ZINC001051608867 762457734 /nfs/dbraw/zinc/45/77/34/762457734.db2.gz LISSFPBTFLQHBG-CQSZACIVSA-N 1 1 345.399 0.478 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)c(C(N)=O)cn3)[C@@H]2C1 ZINC001076266630 756303504 /nfs/dbraw/zinc/30/35/04/756303504.db2.gz FMMHBGVIVZWBSR-XJKSGUPXSA-N 1 1 326.400 0.659 20 30 ECEDMO CC(C)(C)n1ncnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051609017 762458478 /nfs/dbraw/zinc/45/84/78/762458478.db2.gz MNLDJTDPRZTMEU-HNNXBMFYSA-N 1 1 345.447 0.764 20 30 ECEDMO C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001076303743 756334212 /nfs/dbraw/zinc/33/42/12/756334212.db2.gz HXEHKAQPABTRBY-HOTGVXAUSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001076303743 756334216 /nfs/dbraw/zinc/33/42/16/756334216.db2.gz HXEHKAQPABTRBY-HOTGVXAUSA-N 1 1 337.464 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010649140 756349549 /nfs/dbraw/zinc/34/95/49/756349549.db2.gz CQOKVRAMJHYFNJ-DZGCQCFKSA-N 1 1 327.388 0.477 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010649140 756349554 /nfs/dbraw/zinc/34/95/54/756349554.db2.gz CQOKVRAMJHYFNJ-DZGCQCFKSA-N 1 1 327.388 0.477 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)[nH]1 ZINC001010660667 756362581 /nfs/dbraw/zinc/36/25/81/756362581.db2.gz FDDBNAUHRDYSCB-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)nn1 ZINC001076345284 756396155 /nfs/dbraw/zinc/39/61/55/756396155.db2.gz YSSIGJVNWAJYPC-AEGPPILISA-N 1 1 346.435 0.264 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](CC)C(N)=O)C[C@H]32)nn1 ZINC001076345284 756396160 /nfs/dbraw/zinc/39/61/60/756396160.db2.gz YSSIGJVNWAJYPC-AEGPPILISA-N 1 1 346.435 0.264 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)(F)F)[C@@H](O)C1 ZINC001083547671 756464374 /nfs/dbraw/zinc/46/43/74/756464374.db2.gz XLHAVSSTXZKEBA-PWSUYJOCSA-N 1 1 332.326 0.796 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)(F)F)[C@@H](O)C1 ZINC001083547671 756464377 /nfs/dbraw/zinc/46/43/77/756464377.db2.gz XLHAVSSTXZKEBA-PWSUYJOCSA-N 1 1 332.326 0.796 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1 ZINC001076401778 756475605 /nfs/dbraw/zinc/47/56/05/756475605.db2.gz YVBZAWCTYHYHIK-JKSUJKDBSA-N 1 1 330.432 0.969 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001076411425 756482231 /nfs/dbraw/zinc/48/22/31/756482231.db2.gz HNZILATZFNAUNE-QCTRZYONSA-N 1 1 347.459 0.520 20 30 ECEDMO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001076428837 756498523 /nfs/dbraw/zinc/49/85/23/756498523.db2.gz MGISHMDDSXODOM-HOCLYGCPSA-N 1 1 345.447 0.238 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)[C@@H]2C1 ZINC001076438709 756515441 /nfs/dbraw/zinc/51/54/41/756515441.db2.gz MGTFGSKMJMXDRD-LSDHHAIUSA-N 1 1 345.447 0.490 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076440615 756518725 /nfs/dbraw/zinc/51/87/25/756518725.db2.gz CIZZZZMQEDLFIF-SQWLQELKSA-N 1 1 329.404 0.409 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001054239495 767850486 /nfs/dbraw/zinc/85/04/86/767850486.db2.gz PFOZOYPDWCNNHM-SFHVURJKSA-N 1 1 344.415 0.437 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1c1cnc(C#N)cn1 ZINC001060123907 756616988 /nfs/dbraw/zinc/61/69/88/756616988.db2.gz PXVKQDMYTHVENR-CABCVRRESA-N 1 1 328.420 0.918 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001076541561 756625043 /nfs/dbraw/zinc/62/50/43/756625043.db2.gz GYDRGCSITAJRBO-DLBZAZTESA-N 1 1 336.399 0.883 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001076541561 756625047 /nfs/dbraw/zinc/62/50/47/756625047.db2.gz GYDRGCSITAJRBO-DLBZAZTESA-N 1 1 336.399 0.883 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 ZINC001076545163 756639010 /nfs/dbraw/zinc/63/90/10/756639010.db2.gz MCRHIPVSYQEZJG-UONOGXRCSA-N 1 1 334.420 0.379 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1 ZINC001076568938 756669569 /nfs/dbraw/zinc/66/95/69/756669569.db2.gz DFRVFBWFNICZMN-UONOGXRCSA-N 1 1 326.404 0.776 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@H+]1C ZINC001010925273 756674643 /nfs/dbraw/zinc/67/46/43/756674643.db2.gz MUZGBOMKDMJHPQ-GOEBONIOSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001040361485 756678026 /nfs/dbraw/zinc/67/80/26/756678026.db2.gz RVKKKLMRRSDRLG-IUODEOHRSA-N 1 1 326.828 0.735 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001040361485 756678031 /nfs/dbraw/zinc/67/80/31/756678031.db2.gz RVKKKLMRRSDRLG-IUODEOHRSA-N 1 1 326.828 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cncc(F)c2)CC1 ZINC001010981457 756723508 /nfs/dbraw/zinc/72/35/08/756723508.db2.gz PZVSPUDSJJFGEZ-INIZCTEOSA-N 1 1 344.390 0.603 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cncc(F)c2)CC1 ZINC001010981457 756723512 /nfs/dbraw/zinc/72/35/12/756723512.db2.gz PZVSPUDSJJFGEZ-INIZCTEOSA-N 1 1 344.390 0.603 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ncccc2C#N)C1 ZINC001060129909 756825607 /nfs/dbraw/zinc/82/56/07/756825607.db2.gz XOOIAQGUWTVXDR-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ncccc2C#N)C1 ZINC001060129909 756825617 /nfs/dbraw/zinc/82/56/17/756825617.db2.gz XOOIAQGUWTVXDR-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)cc1 ZINC001076713279 756904211 /nfs/dbraw/zinc/90/42/11/756904211.db2.gz SRHKARPDBNLKMX-HUUCEWRRSA-N 1 1 339.355 0.029 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)cc1 ZINC001076713279 756904214 /nfs/dbraw/zinc/90/42/14/756904214.db2.gz SRHKARPDBNLKMX-HUUCEWRRSA-N 1 1 339.355 0.029 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990932061 756911607 /nfs/dbraw/zinc/91/16/07/756911607.db2.gz IYQTUADAWCUXGA-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(OCC)no2)C1 ZINC000996125567 756996738 /nfs/dbraw/zinc/99/67/38/756996738.db2.gz RXKXVPINQPMTOR-ZDUSSCGKSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(OCC)no2)C1 ZINC000996125567 756996747 /nfs/dbraw/zinc/99/67/47/756996747.db2.gz RXKXVPINQPMTOR-ZDUSSCGKSA-N 1 1 346.387 0.112 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001048796218 757025868 /nfs/dbraw/zinc/02/58/68/757025868.db2.gz HRJMFDRHPKYHNK-OWCLPIDISA-N 1 1 340.383 0.557 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001076770561 757037138 /nfs/dbraw/zinc/03/71/38/757037138.db2.gz WTVRMZPDBXJMNF-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001076770561 757037144 /nfs/dbraw/zinc/03/71/44/757037144.db2.gz WTVRMZPDBXJMNF-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO Cn1cnc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]3C2)n1 ZINC001048801938 757039412 /nfs/dbraw/zinc/03/94/12/757039412.db2.gz CHKQJWLKNOAOKW-IYBDPMFKSA-N 1 1 336.399 0.891 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1O ZINC001048814019 757080309 /nfs/dbraw/zinc/08/03/09/757080309.db2.gz RQIRGUCGVCETDJ-JYJNAYRXSA-N 1 1 335.448 0.018 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(OCC(N)=O)c3)CCC[C@@H]12 ZINC000990972609 757109346 /nfs/dbraw/zinc/10/93/46/757109346.db2.gz KIPHGKGHEPEBSO-APWZRJJASA-N 1 1 341.411 0.911 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001048825659 757119858 /nfs/dbraw/zinc/11/98/58/757119858.db2.gz CCIBFBWWXFUDTR-JJTUDDRGSA-N 1 1 347.459 0.589 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@H]2C1 ZINC001048848794 757175020 /nfs/dbraw/zinc/17/50/20/757175020.db2.gz UVPKXAVYXZROCF-HRCADAONSA-N 1 1 335.448 0.448 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@H]2C1 ZINC001048855951 757193523 /nfs/dbraw/zinc/19/35/23/757193523.db2.gz MENVZUBUFCDCQD-KFWWJZLASA-N 1 1 344.463 0.945 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001011217168 757206208 /nfs/dbraw/zinc/20/62/08/757206208.db2.gz JIWPBKBFPYHRRU-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001011217168 757206215 /nfs/dbraw/zinc/20/62/15/757206215.db2.gz JIWPBKBFPYHRRU-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO CC[C@H](C[NH+]1CC(n2cc(CNC(=O)C#CC(C)C)nn2)C1)OC ZINC001107169372 757206766 /nfs/dbraw/zinc/20/67/66/757206766.db2.gz DWNCVFXZNPQUJH-MRXNPFEDSA-N 1 1 333.436 0.835 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2C1 ZINC001048868497 757233227 /nfs/dbraw/zinc/23/32/27/757233227.db2.gz AQCOOQRZGBOLMM-JZXOWHBKSA-N 1 1 341.459 0.408 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001048868971 757234232 /nfs/dbraw/zinc/23/42/32/757234232.db2.gz RPEUPKQAYWZCFV-KSZLIROESA-N 1 1 341.459 0.408 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@@H]2C1 ZINC001048869371 757235820 /nfs/dbraw/zinc/23/58/20/757235820.db2.gz VKGHQZUYQZORPS-JZXOWHBKSA-N 1 1 342.443 0.971 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)no1 ZINC001076816492 757237933 /nfs/dbraw/zinc/23/79/33/757237933.db2.gz LLMGWQBBWGYILR-IAGOWNOFSA-N 1 1 340.383 0.759 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)no1 ZINC001076816492 757237938 /nfs/dbraw/zinc/23/79/38/757237938.db2.gz LLMGWQBBWGYILR-IAGOWNOFSA-N 1 1 340.383 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc[nH]1)C2 ZINC000996260505 757242522 /nfs/dbraw/zinc/24/25/22/757242522.db2.gz RGWCVUCCNJGLHQ-QPSCCSFWSA-N 1 1 341.415 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc[nH]1)C2 ZINC000996260505 757242533 /nfs/dbraw/zinc/24/25/33/757242533.db2.gz RGWCVUCCNJGLHQ-QPSCCSFWSA-N 1 1 341.415 0.369 20 30 ECEDMO C=CCCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001048873825 757250843 /nfs/dbraw/zinc/25/08/43/757250843.db2.gz MCLZYTKEPOCHLA-JYJNAYRXSA-N 1 1 349.475 0.715 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1O ZINC001076812353 757255486 /nfs/dbraw/zinc/25/54/86/757255486.db2.gz DYCYADWIXVUHQC-BRWVUGGUSA-N 1 1 346.406 0.453 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O ZINC001076812767 757258300 /nfs/dbraw/zinc/25/83/00/757258300.db2.gz SQGIBRQJJRAOAT-RBSFLKMASA-N 1 1 334.445 0.375 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)cc1 ZINC001076823606 757273555 /nfs/dbraw/zinc/27/35/55/757273555.db2.gz HFINIMNAGFRLRW-BRWVUGGUSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)cc1 ZINC001076823606 757273561 /nfs/dbraw/zinc/27/35/61/757273561.db2.gz HFINIMNAGFRLRW-BRWVUGGUSA-N 1 1 329.400 0.646 20 30 ECEDMO C=CCC(CC=C)C(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107173967 757282099 /nfs/dbraw/zinc/28/20/99/757282099.db2.gz KYIJWFCRCHNCLC-ZDUSSCGKSA-N 1 1 333.436 0.900 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2c2cnc(C#N)cn2)C1 ZINC001060145562 757342323 /nfs/dbraw/zinc/34/23/23/757342323.db2.gz UKKXBDLUNCDWKM-HIFRSBDPSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCCC(=O)N3)nn2)C1 ZINC001107184368 757417058 /nfs/dbraw/zinc/41/70/58/757417058.db2.gz KAHCNBLRGWTZPN-ZDUSSCGKSA-N 1 1 346.435 0.386 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)COc3c(C)occc3=O)C[C@H]2C1 ZINC001048931065 757445813 /nfs/dbraw/zinc/44/58/13/757445813.db2.gz YLIVXKFXYKPCBW-GASCZTMLSA-N 1 1 330.384 0.741 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC001011314886 757491236 /nfs/dbraw/zinc/49/12/36/757491236.db2.gz QMUFHYQSCCSMTA-JKSUJKDBSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC001011314886 757491240 /nfs/dbraw/zinc/49/12/40/757491240.db2.gz QMUFHYQSCCSMTA-JKSUJKDBSA-N 1 1 335.448 0.426 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@H]2C1 ZINC001048952382 757498967 /nfs/dbraw/zinc/49/89/67/757498967.db2.gz KCHMBHHUOULGFZ-SCRDCRAPSA-N 1 1 349.822 0.508 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@H]2C1 ZINC001048960581 757523202 /nfs/dbraw/zinc/52/32/02/757523202.db2.gz FKMGKWWJSOEPIG-XWTMOSNGSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nonc3C)C(C)(C)C2)nn1 ZINC000996391760 757527088 /nfs/dbraw/zinc/52/70/88/757527088.db2.gz ZKDCXBQIGYRIBI-AWEZNQCLSA-N 1 1 345.407 0.796 20 30 ECEDMO CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)C1CCCC1 ZINC001076907157 757562920 /nfs/dbraw/zinc/56/29/20/757562920.db2.gz CUXVEIVKGWGPJB-BRWVUGGUSA-N 1 1 346.431 0.866 20 30 ECEDMO Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907282 757563570 /nfs/dbraw/zinc/56/35/70/757563570.db2.gz IYCGJEQZBYZYTK-ZIAGYGMSSA-N 1 1 345.428 0.669 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001048977179 757579291 /nfs/dbraw/zinc/57/92/91/757579291.db2.gz OHRSYQRBGSAXLQ-GJZGRUSLSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048977454 757581399 /nfs/dbraw/zinc/58/13/99/757581399.db2.gz UZOQZZFCPNYHCQ-GJZGRUSLSA-N 1 1 325.453 0.713 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001105900601 762560322 /nfs/dbraw/zinc/56/03/22/762560322.db2.gz PYUNVZNBKDUOOC-AWEZNQCLSA-N 1 1 343.391 0.223 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000996442219 757610940 /nfs/dbraw/zinc/61/09/40/757610940.db2.gz NZXZGUVGFFAMMK-AWEZNQCLSA-N 1 1 326.400 0.345 20 30 ECEDMO CCn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076923813 757624094 /nfs/dbraw/zinc/62/40/94/757624094.db2.gz JWDLSLFMPBKXSK-NVXWUHKLSA-N 1 1 339.399 0.750 20 30 ECEDMO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076923813 757624100 /nfs/dbraw/zinc/62/41/00/757624100.db2.gz JWDLSLFMPBKXSK-NVXWUHKLSA-N 1 1 339.399 0.750 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(CCOC)nn2)C1 ZINC001021585833 757643410 /nfs/dbraw/zinc/64/34/10/757643410.db2.gz WOGWAKBNYOHMJG-WBVHZDCISA-N 1 1 345.447 0.874 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001021592188 757655611 /nfs/dbraw/zinc/65/56/11/757655611.db2.gz PTLAYCDYCAPENE-KGLIPLIRSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001021612274 757685536 /nfs/dbraw/zinc/68/55/36/757685536.db2.gz XPSIJOJKSQVUBT-HUUCEWRRSA-N 1 1 328.416 0.946 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]3C2)c1 ZINC001049047769 757775282 /nfs/dbraw/zinc/77/52/82/757775282.db2.gz SOQPHOUYZQWSEP-RRQGHBQHSA-N 1 1 340.427 0.543 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC001021699515 757815103 /nfs/dbraw/zinc/81/51/03/757815103.db2.gz QYZNVICLACWZJW-WOSRLPQWSA-N 1 1 341.415 0.511 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021713159 757848804 /nfs/dbraw/zinc/84/88/04/757848804.db2.gz MQRDOYLNGIHDOM-KGLIPLIRSA-N 1 1 334.420 0.427 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021713269 757849397 /nfs/dbraw/zinc/84/93/97/757849397.db2.gz NODHWWOKKYCISU-GJZGRUSLSA-N 1 1 348.447 0.769 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021714067 757851258 /nfs/dbraw/zinc/85/12/58/757851258.db2.gz UYMLKJSKRTWANF-GJZGRUSLSA-N 1 1 348.447 0.817 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2nc(C)ccc2=O)C1 ZINC001021716380 757852951 /nfs/dbraw/zinc/85/29/51/757852951.db2.gz DGMKLKVEABPQTM-IRXDYDNUSA-N 1 1 342.443 0.888 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(=O)NC)CC[C@@H]32)cn1 ZINC001021717555 757856140 /nfs/dbraw/zinc/85/61/40/757856140.db2.gz PIFCPEYJIDHZOE-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021724090 757865059 /nfs/dbraw/zinc/86/50/59/757865059.db2.gz JAOCSFZYMSCNRG-HOTGVXAUSA-N 1 1 347.463 0.779 20 30 ECEDMO C=CCC[C@H](C)[NH+]1CC(n2cc(CNC(=O)Cc3nnc[nH]3)nn2)C1 ZINC001107227036 757886351 /nfs/dbraw/zinc/88/63/51/757886351.db2.gz BAOMSEAAFFJWBZ-LBPRGKRZSA-N 1 1 344.423 0.467 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3cn(C)nn3)C(C)(C)C2)cn1 ZINC000996537314 757958693 /nfs/dbraw/zinc/95/86/93/757958693.db2.gz XOUMGRISMWWSAS-INIZCTEOSA-N 1 1 338.415 0.832 20 30 ECEDMO C=CCO[C@H](C)C(=O)NCc1cn(C2C[NH+]([C@@H](C)COC)C2)nn1 ZINC001107240727 758040928 /nfs/dbraw/zinc/04/09/28/758040928.db2.gz GTGVJNWXHKDEEL-QWHCGFSZSA-N 1 1 337.424 0.377 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001077052065 758043371 /nfs/dbraw/zinc/04/33/71/758043371.db2.gz QRYDPHXJTIFUJA-MWLCHTKSSA-N 1 1 332.326 0.790 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001077052065 758043378 /nfs/dbraw/zinc/04/33/78/758043378.db2.gz QRYDPHXJTIFUJA-MWLCHTKSSA-N 1 1 332.326 0.790 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001077044870 758044538 /nfs/dbraw/zinc/04/45/38/758044538.db2.gz MCKFHGAMVPIDBG-HZPDHXFCSA-N 1 1 329.400 0.922 20 30 ECEDMO N#Cc1cnc(NC/C=C/CNC(=O)CC[NH+]2CCOCC2)cn1 ZINC001107254548 758053406 /nfs/dbraw/zinc/05/34/06/758053406.db2.gz WMPMVTUCMYCMFW-OWOJBTEDSA-N 1 1 330.392 0.155 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001077084917 758120351 /nfs/dbraw/zinc/12/03/51/758120351.db2.gz ZODZUJMPIZXNFD-NUEKZKHPSA-N 1 1 337.464 0.761 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC001107279991 758145926 /nfs/dbraw/zinc/14/59/26/758145926.db2.gz PPFQWXNWBDDSMW-GDBMZVCRSA-N 1 1 334.424 0.237 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049160060 758173013 /nfs/dbraw/zinc/17/30/13/758173013.db2.gz SRZQMCZRERLNTA-ZNMIVQPWSA-N 1 1 329.404 0.267 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001077108708 758192216 /nfs/dbraw/zinc/19/22/16/758192216.db2.gz PVVLBRLFQKTIEX-UONOGXRCSA-N 1 1 325.453 0.766 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)CNC(=O)OC)CCC[C@@H]12 ZINC001107303362 758221122 /nfs/dbraw/zinc/22/11/22/758221122.db2.gz QUHOCEIQIPDBCW-RHSMWYFYSA-N 1 1 339.436 0.906 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnnn1CC ZINC001077124071 758256422 /nfs/dbraw/zinc/25/64/22/758256422.db2.gz LXOBSXFXMUBJDU-KBPBESRZSA-N 1 1 346.435 0.020 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnnn1CC ZINC001077124071 758256425 /nfs/dbraw/zinc/25/64/25/758256425.db2.gz LXOBSXFXMUBJDU-KBPBESRZSA-N 1 1 346.435 0.020 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cocn3)CCC[C@@H]12 ZINC001107320880 758264927 /nfs/dbraw/zinc/26/49/27/758264927.db2.gz GEWIQJNHJUGMKR-RHSMWYFYSA-N 1 1 330.388 0.398 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H](O)COC)CC2 ZINC001107331070 758271964 /nfs/dbraw/zinc/27/19/64/758271964.db2.gz ZXOJUGFYMLSIKX-BFYDXBDKSA-N 1 1 326.437 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1CCOCC1 ZINC001077124227 758282999 /nfs/dbraw/zinc/28/29/99/758282999.db2.gz NYHJYTBQFYRGIF-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1CCOCC1 ZINC001077124227 758283012 /nfs/dbraw/zinc/28/30/12/758283012.db2.gz NYHJYTBQFYRGIF-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]2C1 ZINC001049200427 758283565 /nfs/dbraw/zinc/28/35/65/758283565.db2.gz PAHPMAWCTXBOIT-BETUJISGSA-N 1 1 334.420 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1coc(C)n1 ZINC001077124570 758284628 /nfs/dbraw/zinc/28/46/28/758284628.db2.gz YNOYEILHTKHQOD-WFASDCNBSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1coc(C)n1 ZINC001077124570 758284634 /nfs/dbraw/zinc/28/46/34/758284634.db2.gz YNOYEILHTKHQOD-WFASDCNBSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC1(O)CCC1 ZINC001077124517 758284727 /nfs/dbraw/zinc/28/47/27/758284727.db2.gz WHWPJXZEPKVXGP-GJZGRUSLSA-N 1 1 335.448 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC1(O)CCC1 ZINC001077124517 758284729 /nfs/dbraw/zinc/28/47/29/758284729.db2.gz WHWPJXZEPKVXGP-GJZGRUSLSA-N 1 1 335.448 0.400 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)cc1 ZINC001049202134 758290347 /nfs/dbraw/zinc/29/03/47/758290347.db2.gz DZQWIMAPLQJTDB-CALCHBBNSA-N 1 1 336.399 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@]1(F)CCOC1 ZINC001077125455 758290845 /nfs/dbraw/zinc/29/08/45/758290845.db2.gz VHJCPPHJDMJWDE-ZQIUZPCESA-N 1 1 339.411 0.224 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@]1(F)CCOC1 ZINC001077125455 758290855 /nfs/dbraw/zinc/29/08/55/758290855.db2.gz VHJCPPHJDMJWDE-ZQIUZPCESA-N 1 1 339.411 0.224 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@]1(F)CCOC1 ZINC001077125453 758291357 /nfs/dbraw/zinc/29/13/57/758291357.db2.gz VHJCPPHJDMJWDE-GRDNDAEWSA-N 1 1 339.411 0.224 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@]1(F)CCOC1 ZINC001077125453 758291367 /nfs/dbraw/zinc/29/13/67/758291367.db2.gz VHJCPPHJDMJWDE-GRDNDAEWSA-N 1 1 339.411 0.224 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](OC)C1CCC1 ZINC001077125504 758292473 /nfs/dbraw/zinc/29/24/73/758292473.db2.gz WDIVDKCQXUUARU-BHYGNILZSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](OC)C1CCC1 ZINC001077125504 758292478 /nfs/dbraw/zinc/29/24/78/758292478.db2.gz WDIVDKCQXUUARU-BHYGNILZSA-N 1 1 349.475 0.910 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@H]2C1 ZINC001049205164 758300181 /nfs/dbraw/zinc/30/01/81/758300181.db2.gz XHHKOYANNFCWGD-IYBDPMFKSA-N 1 1 336.399 0.689 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCOCC1)CC2 ZINC001107337172 758321983 /nfs/dbraw/zinc/32/19/83/758321983.db2.gz WKDKVVMKXONAAN-IIDMSEBBSA-N 1 1 348.447 0.366 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCOC3)CCC[C@@H]12 ZINC001107345129 758355103 /nfs/dbraw/zinc/35/51/03/758355103.db2.gz XSZZOQZUYYKJQD-IIDMSEBBSA-N 1 1 348.447 0.414 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)c[nH]1 ZINC001107366448 758377913 /nfs/dbraw/zinc/37/79/13/758377913.db2.gz DXLGRPFYVALCAC-SJLPKXTDSA-N 1 1 346.431 0.870 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCO3)CCC[C@@H]12 ZINC001107359879 758389209 /nfs/dbraw/zinc/38/92/09/758389209.db2.gz PGFPRRPQEMSCQG-IIDMSEBBSA-N 1 1 348.447 0.556 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC)CC2 ZINC001107378685 758408478 /nfs/dbraw/zinc/40/84/78/758408478.db2.gz HDMAFXPNKJJCIU-FHLIZLRMSA-N 1 1 337.464 0.810 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3c(OC)ncnc3OC)C[C@H]2C1 ZINC001049247253 758428022 /nfs/dbraw/zinc/42/80/22/758428022.db2.gz GZJXAMKTLSMWBL-BETUJISGSA-N 1 1 330.388 0.521 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nnc(C3CC3)o2)C1 ZINC001022220716 758441663 /nfs/dbraw/zinc/44/16/63/758441663.db2.gz LKOHSLFZYNHOKX-ZNMIVQPWSA-N 1 1 343.431 0.781 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nnc(C3CC3)o2)C1 ZINC001022220716 758441669 /nfs/dbraw/zinc/44/16/69/758441669.db2.gz LKOHSLFZYNHOKX-ZNMIVQPWSA-N 1 1 343.431 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2nc(C)no2)C1 ZINC001022221527 758442997 /nfs/dbraw/zinc/44/29/97/758442997.db2.gz IJUYLWDDYYTXHK-MHEUCROKSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H](C)c2nc(C)no2)C1 ZINC001022221527 758443006 /nfs/dbraw/zinc/44/30/06/758443006.db2.gz IJUYLWDDYYTXHK-MHEUCROKSA-N 1 1 331.420 0.773 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC(=O)NC3)CCC[C@@H]12 ZINC001107458440 758592808 /nfs/dbraw/zinc/59/28/08/758592808.db2.gz BWDADPCQQWBXPE-GPMSIDNRSA-N 1 1 347.459 0.523 20 30 ECEDMO NC(=O)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC#Cc1ccccc1 ZINC001049383435 758605793 /nfs/dbraw/zinc/60/57/93/758605793.db2.gz RSPARKLHIPLWJD-SJORKVTESA-N 1 1 325.412 0.979 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12 ZINC001107457939 758620266 /nfs/dbraw/zinc/62/02/66/758620266.db2.gz XYSHJKSNDQVTLO-VQIMIIECSA-N 1 1 348.491 0.697 20 30 ECEDMO O=C(NCCNCC#Cc1ccc(F)cc1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779978 758631386 /nfs/dbraw/zinc/63/13/86/758631386.db2.gz UPZLRAQSEJYZGH-ZWKOTPCHSA-N 1 1 345.418 0.746 20 30 ECEDMO O=C(NCCNCC#Cc1ccc(F)cc1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779978 758631397 /nfs/dbraw/zinc/63/13/97/758631397.db2.gz UPZLRAQSEJYZGH-ZWKOTPCHSA-N 1 1 345.418 0.746 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)C1=O ZINC000996726699 758641656 /nfs/dbraw/zinc/64/16/56/758641656.db2.gz ZDRBIRARDVMVQJ-SJORKVTESA-N 1 1 348.491 0.838 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001077267001 758644649 /nfs/dbraw/zinc/64/46/49/758644649.db2.gz UVPBKAZQNFCHMM-CHWSQXEVSA-N 1 1 331.376 0.405 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001030332134 762647169 /nfs/dbraw/zinc/64/71/69/762647169.db2.gz YNZRJPWIIFAWKI-BMFZPTHFSA-N 1 1 335.448 0.684 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)NC2CC2)c[nH]1 ZINC001049425879 758669791 /nfs/dbraw/zinc/66/97/91/758669791.db2.gz PYZGTHJZBRXCPW-JKSUJKDBSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)NC2CC2)c[nH]1 ZINC001049425879 758669793 /nfs/dbraw/zinc/66/97/93/758669793.db2.gz PYZGTHJZBRXCPW-JKSUJKDBSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)NC2CC2)[nH]1 ZINC001049426298 758670952 /nfs/dbraw/zinc/67/09/52/758670952.db2.gz UIMINUWUYMARAE-HZPDHXFCSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)NC2CC2)[nH]1 ZINC001049426298 758670956 /nfs/dbraw/zinc/67/09/56/758670956.db2.gz UIMINUWUYMARAE-HZPDHXFCSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)CC(C)(C)O)C1=O ZINC001049445672 758717680 /nfs/dbraw/zinc/71/76/80/758717680.db2.gz FVFFCVVSGONGPJ-JYJNAYRXSA-N 1 1 349.475 1.000 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001049503156 758815631 /nfs/dbraw/zinc/81/56/31/758815631.db2.gz UEOXKKXJVYYYKG-RBSFLKMASA-N 1 1 331.416 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(-c2cccnc2)nn1 ZINC001049509464 758828112 /nfs/dbraw/zinc/82/81/12/758828112.db2.gz UZFAJQFCQAENMF-IAGOWNOFSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](Cn1cccn1)N(C)C ZINC001049518600 758846138 /nfs/dbraw/zinc/84/61/38/758846138.db2.gz UVMSXTXQLQDXCI-KZNAEPCWSA-N 1 1 343.475 0.902 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](Cn1cccn1)N(C)C ZINC001049518598 758846923 /nfs/dbraw/zinc/84/69/23/758846923.db2.gz UVMSXTXQLQDXCI-KURKYZTESA-N 1 1 343.475 0.902 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001049558864 758920097 /nfs/dbraw/zinc/92/00/97/758920097.db2.gz SVURHTQMJCBDEO-STQMWFEESA-N 1 1 339.417 0.792 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001049560398 758923770 /nfs/dbraw/zinc/92/37/70/758923770.db2.gz RXVHHHFPTHOKIB-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2cn[nH]n2)C1=O ZINC001049572171 758943241 /nfs/dbraw/zinc/94/32/41/758943241.db2.gz XURXVNHETDMCHP-KKUMJFAQSA-N 1 1 344.419 0.271 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C(N)=O)cn1C ZINC001049577530 758951492 /nfs/dbraw/zinc/95/14/92/758951492.db2.gz QYCHZQUYBVGWMJ-GJZGRUSLSA-N 1 1 328.416 0.826 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001077388180 758961206 /nfs/dbraw/zinc/96/12/06/758961206.db2.gz QNSLJJQLKVIVIZ-UKRRQHHQSA-N 1 1 330.388 0.694 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001077388180 758961210 /nfs/dbraw/zinc/96/12/10/758961210.db2.gz QNSLJJQLKVIVIZ-UKRRQHHQSA-N 1 1 330.388 0.694 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC001077385851 758971078 /nfs/dbraw/zinc/97/10/78/758971078.db2.gz LUBZUCGOMPKDOZ-FVQBIDKESA-N 1 1 332.375 0.561 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@@H](C)CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001077391970 758978629 /nfs/dbraw/zinc/97/86/29/758978629.db2.gz HHRAUMUABFTUQQ-CABCVRRESA-N 1 1 338.452 0.660 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001077394692 758983979 /nfs/dbraw/zinc/98/39/79/758983979.db2.gz ZDUWAKGYALGCSA-YOEHRIQHSA-N 1 1 341.452 0.047 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001077395889 758988778 /nfs/dbraw/zinc/98/87/78/758988778.db2.gz YQKSPUIKYPRJRE-GJZGRUSLSA-N 1 1 341.452 0.311 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049611365 758993162 /nfs/dbraw/zinc/99/31/62/758993162.db2.gz GFMUIKIIWQENGR-YLFCFFPRSA-N 1 1 333.432 0.321 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001077398371 758995338 /nfs/dbraw/zinc/99/53/38/758995338.db2.gz QYLFNHLGELJYCK-HUUCEWRRSA-N 1 1 329.404 0.477 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3CCC)C2)c1 ZINC001022685186 758997419 /nfs/dbraw/zinc/99/74/19/758997419.db2.gz JVELQJCWUFJQAX-GASCZTMLSA-N 1 1 339.403 0.510 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001049615137 758997540 /nfs/dbraw/zinc/99/75/40/758997540.db2.gz IBFPJNJZOQKBKR-CVEARBPZSA-N 1 1 339.403 0.922 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001022717381 759034437 /nfs/dbraw/zinc/03/44/37/759034437.db2.gz BIPWSHNOKGTEBP-BHYGNILZSA-N 1 1 329.444 0.943 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c(C)nc3ccnn3c2C)[C@@H](O)C1 ZINC001083586239 759108275 /nfs/dbraw/zinc/10/82/75/759108275.db2.gz KJBPUWHCDPRNQS-KGLIPLIRSA-N 1 1 329.404 0.697 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(C)nc3ccnn3c2C)[C@@H](O)C1 ZINC001083586239 759108278 /nfs/dbraw/zinc/10/82/78/759108278.db2.gz KJBPUWHCDPRNQS-KGLIPLIRSA-N 1 1 329.404 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001049719544 759127732 /nfs/dbraw/zinc/12/77/32/759127732.db2.gz MRJZBSPRFGAMSI-LSDHHAIUSA-N 1 1 342.443 0.835 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nnc2c1CCCC2 ZINC001049726300 759137469 /nfs/dbraw/zinc/13/74/69/759137469.db2.gz CWMMMSDBUDKPCR-DLBZAZTESA-N 1 1 327.432 0.855 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001077425683 759210462 /nfs/dbraw/zinc/21/04/62/759210462.db2.gz BKJLVNUHNDPOEE-CHWSQXEVSA-N 1 1 329.404 0.871 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C(=O)NC)nc1 ZINC001049848549 759297371 /nfs/dbraw/zinc/29/73/71/759297371.db2.gz OJHFYUUUJLFOCC-JKSUJKDBSA-N 1 1 326.400 0.753 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)N(C)C)cn1 ZINC001049853875 759305025 /nfs/dbraw/zinc/30/50/25/759305025.db2.gz HXFSOKCKIRWYJB-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)N(C)C)cn1 ZINC001049853875 759305031 /nfs/dbraw/zinc/30/50/31/759305031.db2.gz HXFSOKCKIRWYJB-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001049866252 759316581 /nfs/dbraw/zinc/31/65/81/759316581.db2.gz ZLZLSWXRERPWNS-SQWLQELKSA-N 1 1 339.461 0.157 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 ZINC000991098720 759323301 /nfs/dbraw/zinc/32/33/01/759323301.db2.gz CLLMRHDBYAJWRK-PGUXBMHVSA-N 1 1 340.811 0.450 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 ZINC000991098720 759323303 /nfs/dbraw/zinc/32/33/03/759323303.db2.gz CLLMRHDBYAJWRK-PGUXBMHVSA-N 1 1 340.811 0.450 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049872297 759327045 /nfs/dbraw/zinc/32/70/45/759327045.db2.gz QYLSUWMWYSGXJE-ZIAGYGMSSA-N 1 1 348.447 0.958 20 30 ECEDMO C=CCOCC(=O)N1CCC(OC2C[NH+]([C@H](C)COC)C2)CC1 ZINC001105698697 759335728 /nfs/dbraw/zinc/33/57/28/759335728.db2.gz OSJYJAFKCZOPAI-CQSZACIVSA-N 1 1 326.437 0.916 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nn3cccnc23)C1 ZINC001047631074 759346675 /nfs/dbraw/zinc/34/66/75/759346675.db2.gz HTDNVZVAZHEUCT-KBPBESRZSA-N 1 1 329.404 0.731 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1nc2ncccn2n1 ZINC001049891065 759359554 /nfs/dbraw/zinc/35/95/54/759359554.db2.gz QJTYIMOUWVKOEU-ZIAGYGMSSA-N 1 1 326.404 0.918 20 30 ECEDMO COCC#CCN1CC(OC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001105699025 759361032 /nfs/dbraw/zinc/36/10/32/759361032.db2.gz VGXLVLXYGPOTPM-SFHVURJKSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001047635284 759362461 /nfs/dbraw/zinc/36/24/61/759362461.db2.gz WNFSOHNLQOENCB-KBPBESRZSA-N 1 1 328.372 0.810 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCc3sccc3C2)C1 ZINC001047636041 759366224 /nfs/dbraw/zinc/36/62/24/759366224.db2.gz KZYPPZOKFLCSMD-HOTGVXAUSA-N 1 1 347.484 0.633 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047637351 759369082 /nfs/dbraw/zinc/36/90/82/759369082.db2.gz VHLPJWULZPYOAF-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047637351 759369094 /nfs/dbraw/zinc/36/90/94/759369094.db2.gz VHLPJWULZPYOAF-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001049912707 759396928 /nfs/dbraw/zinc/39/69/28/759396928.db2.gz NOYJVIGENJMVEV-OWCLPIDISA-N 1 1 327.432 0.847 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3C[C@H](C)O)CC1 ZINC001049918803 759402829 /nfs/dbraw/zinc/40/28/29/759402829.db2.gz MOTHSKUHJIXKCI-JQHSSLGASA-N 1 1 333.476 0.778 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3C[C@H](C)O)CC1 ZINC001049918803 759402835 /nfs/dbraw/zinc/40/28/35/759402835.db2.gz MOTHSKUHJIXKCI-JQHSSLGASA-N 1 1 333.476 0.778 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CCN(CC(N)=O)C3)C2)CC1 ZINC001054245150 767862157 /nfs/dbraw/zinc/86/21/57/767862157.db2.gz PEDUSMBIQWMQMT-IBGZPJMESA-N 1 1 346.475 0.131 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CC[C@H](CCNc2cc(C)[nH+]c(C)n2)C1 ZINC001111605198 759579595 /nfs/dbraw/zinc/57/95/95/759579595.db2.gz OPORKAHXGRLTEJ-HNNXBMFYSA-N 1 1 343.431 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2cocn2)CC1 ZINC001017344313 767872057 /nfs/dbraw/zinc/87/20/57/767872057.db2.gz XHDCPXKIOQHCQA-INIZCTEOSA-N 1 1 342.399 0.661 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2cocn2)CC1 ZINC001017344313 767872064 /nfs/dbraw/zinc/87/20/64/767872064.db2.gz XHDCPXKIOQHCQA-INIZCTEOSA-N 1 1 342.399 0.661 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN(CC#Cc3ccccc3)C2)C1 ZINC001032201843 759582195 /nfs/dbraw/zinc/58/21/95/759582195.db2.gz KQDALSNEIVERAW-LJQANCHMSA-N 1 1 341.455 0.807 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN(CC#Cc3ccccc3)C2)C1 ZINC001032201843 759582199 /nfs/dbraw/zinc/58/21/99/759582199.db2.gz KQDALSNEIVERAW-LJQANCHMSA-N 1 1 341.455 0.807 20 30 ECEDMO COCCc1nc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC001047836061 759588104 /nfs/dbraw/zinc/58/81/04/759588104.db2.gz MTXPDEWKXVCEKU-DZGCQCFKSA-N 1 1 346.431 0.999 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001050049144 759615194 /nfs/dbraw/zinc/61/51/94/759615194.db2.gz GGYTYYRZKDXHAX-JJXSEGSLSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001050049144 759615200 /nfs/dbraw/zinc/61/52/00/759615200.db2.gz GGYTYYRZKDXHAX-JJXSEGSLSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001050090046 759685488 /nfs/dbraw/zinc/68/54/88/759685488.db2.gz ZNAVMQDIJCSWTN-LSDHHAIUSA-N 1 1 346.431 0.838 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 ZINC001050103389 759707435 /nfs/dbraw/zinc/70/74/35/759707435.db2.gz HKCOWSMYSBHWRK-XJKSGUPXSA-N 1 1 337.387 0.227 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1ncc(C#N)cc1F ZINC001050106216 759715919 /nfs/dbraw/zinc/71/59/19/759715919.db2.gz MLCMKUIEEDLHLH-BYCMXARLSA-N 1 1 347.394 0.506 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1ncc(C#N)cc1F ZINC001050106216 759715922 /nfs/dbraw/zinc/71/59/22/759715922.db2.gz MLCMKUIEEDLHLH-BYCMXARLSA-N 1 1 347.394 0.506 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([C@H](C)[NH2+]Cc3nnn(C)n3)C2)c1 ZINC001047973752 759759143 /nfs/dbraw/zinc/75/91/43/759759143.db2.gz VWZDPAKJZLLKSQ-GXTWGEPZSA-N 1 1 339.403 0.227 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001050152518 759812578 /nfs/dbraw/zinc/81/25/78/759812578.db2.gz RYAPAGHGMGCOFJ-SDDRHHMPSA-N 1 1 340.811 0.260 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001050152518 759812584 /nfs/dbraw/zinc/81/25/84/759812584.db2.gz RYAPAGHGMGCOFJ-SDDRHHMPSA-N 1 1 340.811 0.260 20 30 ECEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2C1 ZINC001054284183 767894178 /nfs/dbraw/zinc/89/41/78/767894178.db2.gz HZCGHJDXBZNNGN-AWEZNQCLSA-N 1 1 328.372 0.403 20 30 ECEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2C1 ZINC001054284183 767894184 /nfs/dbraw/zinc/89/41/84/767894184.db2.gz HZCGHJDXBZNNGN-AWEZNQCLSA-N 1 1 328.372 0.403 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001050181400 759886651 /nfs/dbraw/zinc/88/66/51/759886651.db2.gz WXLUTMRGZJVISG-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 ZINC001050183352 759890893 /nfs/dbraw/zinc/89/08/93/759890893.db2.gz ZIORPVLPOHNPFC-WCQYABFASA-N 1 1 328.376 0.140 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@H](CC)C(N)=O)C[C@H]32)nc1 ZINC001050186481 759899171 /nfs/dbraw/zinc/89/91/71/759899171.db2.gz PVBHRKBYPKDWCO-USXIJHARSA-N 1 1 340.427 0.863 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001050198621 759922279 /nfs/dbraw/zinc/92/22/79/759922279.db2.gz SXTLNIHCDFUBEA-QWHCGFSZSA-N 1 1 339.823 0.811 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001050198621 759922283 /nfs/dbraw/zinc/92/22/83/759922283.db2.gz SXTLNIHCDFUBEA-QWHCGFSZSA-N 1 1 339.823 0.811 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001050231669 760002521 /nfs/dbraw/zinc/00/25/21/760002521.db2.gz UPXZUPISQZYVRZ-KGLIPLIRSA-N 1 1 346.435 0.342 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](CC[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001050234442 760012575 /nfs/dbraw/zinc/01/25/75/760012575.db2.gz HBHMHWNVAOJJTN-WBVHZDCISA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cc(C)ccc3O2)[C@@H](O)C1 ZINC001083641986 760207853 /nfs/dbraw/zinc/20/78/53/760207853.db2.gz KXJVPWKJDPUOIA-RYRKJORJSA-N 1 1 328.412 0.873 20 30 ECEDMO N#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CC2CC2)CC2(CCOCC2)C1 ZINC001099557524 760453159 /nfs/dbraw/zinc/45/31/59/760453159.db2.gz GSADBXJGUFXMHK-OAHLLOKOSA-N 1 1 348.447 0.414 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CC2CC2)CC2(CCOCC2)C1 ZINC001099557524 760453162 /nfs/dbraw/zinc/45/31/62/760453162.db2.gz GSADBXJGUFXMHK-OAHLLOKOSA-N 1 1 348.447 0.414 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nnnn1C1CCCCC1 ZINC001127046284 760456620 /nfs/dbraw/zinc/45/66/20/760456620.db2.gz PBATZMFRGOMRFH-ZIAGYGMSSA-N 1 1 348.451 0.983 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCn3cccn3)nn2)C1 ZINC001107129347 760517096 /nfs/dbraw/zinc/51/70/96/760517096.db2.gz SYMSBPKWLXIQRC-UHFFFAOYSA-N 1 1 329.408 0.614 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNc1cncc(C#N)n1 ZINC001054409431 767962653 /nfs/dbraw/zinc/96/26/53/767962653.db2.gz QMPHVLBAAITUBK-HZSPNIEDSA-N 1 1 328.420 0.806 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054406229 767961532 /nfs/dbraw/zinc/96/15/32/767961532.db2.gz BOGKAWYJTXSFQV-HZSPNIEDSA-N 1 1 328.420 0.228 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054406236 767961673 /nfs/dbraw/zinc/96/16/73/767961673.db2.gz BOGKAWYJTXSFQV-MGPQQGTHSA-N 1 1 328.420 0.228 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nncn3CC2)[C@@H](O)C1 ZINC001083653004 760587776 /nfs/dbraw/zinc/58/77/76/760587776.db2.gz QFUHGLKJOVAAQA-ZNMIVQPWSA-N 1 1 333.436 0.358 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNc1cnc(C#N)cn1 ZINC001054410710 767963795 /nfs/dbraw/zinc/96/37/95/767963795.db2.gz YFSGLGFHYMBBLG-MGPQQGTHSA-N 1 1 328.420 0.806 20 30 ECEDMO CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC000995800286 760625483 /nfs/dbraw/zinc/62/54/83/760625483.db2.gz XKKZVSVTQQFWFQ-CQSZACIVSA-N 1 1 333.411 0.988 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)C1=O ZINC001030024862 760639031 /nfs/dbraw/zinc/63/90/31/760639031.db2.gz IXXQZJIJIHXSFU-RBSFLKMASA-N 1 1 348.447 0.023 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)C1=O ZINC001030024862 760639037 /nfs/dbraw/zinc/63/90/37/760639037.db2.gz IXXQZJIJIHXSFU-RBSFLKMASA-N 1 1 348.447 0.023 20 30 ECEDMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C2 ZINC001048518670 760649652 /nfs/dbraw/zinc/64/96/52/760649652.db2.gz OIBZPBHMUKXHIP-AVRGHOLYSA-N 1 1 343.431 0.994 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050672275 760652250 /nfs/dbraw/zinc/65/22/50/760652250.db2.gz HLRCLAVQSQKVQN-XJKSGUPXSA-N 1 1 328.416 0.958 20 30 ECEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CS(=O)(=O)C1)C2 ZINC001048528758 760667139 /nfs/dbraw/zinc/66/71/39/760667139.db2.gz KWGIXFORGKHGRG-YOWGUQMCSA-N 1 1 326.462 0.966 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2coc3c2C(=O)NCCC3)[C@@H](O)C1 ZINC001083657063 760683575 /nfs/dbraw/zinc/68/35/75/760683575.db2.gz DDKBNLVKHQRHOS-OLZOCXBDSA-N 1 1 333.388 0.307 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2coc3c2C(=O)NCCC3)[C@@H](O)C1 ZINC001083657063 760683578 /nfs/dbraw/zinc/68/35/78/760683578.db2.gz DDKBNLVKHQRHOS-OLZOCXBDSA-N 1 1 333.388 0.307 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001048588814 760762758 /nfs/dbraw/zinc/76/27/58/760762758.db2.gz NKLMWSZJYAJFGB-CRWXNKLISA-N 1 1 327.450 0.223 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)[C@]3(C)CCC(=O)N3)C2)C1=O ZINC001030027109 760763199 /nfs/dbraw/zinc/76/31/99/760763199.db2.gz IXTNPLVNMUXBHM-LBTNJELSSA-N 1 1 348.447 0.023 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)[C@]3(C)CCC(=O)N3)C2)C1=O ZINC001030027109 760763202 /nfs/dbraw/zinc/76/32/02/760763202.db2.gz IXTNPLVNMUXBHM-LBTNJELSSA-N 1 1 348.447 0.023 20 30 ECEDMO C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](C)CN3CCOCC3)C2)CC1 ZINC001050756847 760789917 /nfs/dbraw/zinc/78/99/17/760789917.db2.gz KALUALBQOJINID-KRWDZBQOSA-N 1 1 333.476 0.902 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([C@H](C)NC(=O)CSCC#N)C1 ZINC001050770430 760813477 /nfs/dbraw/zinc/81/34/77/760813477.db2.gz ASZGJDFPRIKDOM-GXTWGEPZSA-N 1 1 349.460 0.802 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1ccc(C#N)nn1 ZINC001048710473 760994850 /nfs/dbraw/zinc/99/48/50/760994850.db2.gz ADNNQQBYDYBUCG-VHDGCEQUSA-N 1 1 328.420 0.773 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1cncc(C#N)n1 ZINC001048711308 760996591 /nfs/dbraw/zinc/99/65/91/760996591.db2.gz VUQYYZKPPLMNCP-VHDGCEQUSA-N 1 1 328.420 0.773 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]3C2)C1=O ZINC001048723763 761045515 /nfs/dbraw/zinc/04/55/15/761045515.db2.gz OTJUJDSEAFCMFU-YVSFHVDLSA-N 1 1 346.475 0.258 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]3C2)C1=O ZINC001048723763 761045526 /nfs/dbraw/zinc/04/55/26/761045526.db2.gz OTJUJDSEAFCMFU-YVSFHVDLSA-N 1 1 346.475 0.258 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N3CCCCC3)C[C@@H]2C1 ZINC001048724767 761047294 /nfs/dbraw/zinc/04/72/94/761047294.db2.gz GHIWHFDZZNDQRL-QXSJWSMHSA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2C1 ZINC001048724717 761048004 /nfs/dbraw/zinc/04/80/04/761048004.db2.gz DVKYMKZDQRNVES-KBXIAJHMSA-N 1 1 332.448 0.936 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C[C@@H]2C1 ZINC001048726464 761052221 /nfs/dbraw/zinc/05/22/21/761052221.db2.gz FEEYQCNXVONWML-OEYIWLLWSA-N 1 1 344.390 0.902 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C[C@@H]2C1 ZINC001048726464 761052227 /nfs/dbraw/zinc/05/22/27/761052227.db2.gz FEEYQCNXVONWML-OEYIWLLWSA-N 1 1 344.390 0.902 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)C1=O ZINC001048748103 761106022 /nfs/dbraw/zinc/10/60/22/761106022.db2.gz AGQHZQFXVBEWMD-LZWOXQAQSA-N 1 1 341.415 0.511 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001048754322 761118369 /nfs/dbraw/zinc/11/83/69/761118369.db2.gz PCILPEWPEJMLEJ-ULQDDVLXSA-N 1 1 349.475 0.693 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048757743 761122417 /nfs/dbraw/zinc/12/24/17/761122417.db2.gz MROWQHNZENPJMH-JYJNAYRXSA-N 1 1 335.448 0.162 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1O ZINC001048758074 761123770 /nfs/dbraw/zinc/12/37/70/761123770.db2.gz WISZGTUVBALWLJ-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC000991481765 761151178 /nfs/dbraw/zinc/15/11/78/761151178.db2.gz JGLFZHSBVYXREV-ZIAGYGMSSA-N 1 1 334.420 0.482 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001077446873 761171618 /nfs/dbraw/zinc/17/16/18/761171618.db2.gz XPJOYRODDRVNJA-MGPQQGTHSA-N 1 1 334.445 0.297 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001212145890 761199584 /nfs/dbraw/zinc/19/95/84/761199584.db2.gz CPXHDVJOFWLAHF-BZUAXINKSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1OC ZINC001212145890 761199586 /nfs/dbraw/zinc/19/95/86/761199586.db2.gz CPXHDVJOFWLAHF-BZUAXINKSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CCCC)C1 ZINC001077447717 761203623 /nfs/dbraw/zinc/20/36/23/761203623.db2.gz KTHPXXJYDPWLGK-BZUAXINKSA-N 1 1 325.453 0.225 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1ncc(C)o1 ZINC001050962100 761229918 /nfs/dbraw/zinc/22/99/18/761229918.db2.gz FPWGBYFEBXXXPG-HOTGVXAUSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1ncc(C)o1 ZINC001050962100 761229922 /nfs/dbraw/zinc/22/99/22/761229922.db2.gz FPWGBYFEBXXXPG-HOTGVXAUSA-N 1 1 346.431 0.398 20 30 ECEDMO C=CCC[NH+]1CC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)C1 ZINC001105714034 761246437 /nfs/dbraw/zinc/24/64/37/761246437.db2.gz GTDMEPLLDAUFFH-UHFFFAOYSA-N 1 1 344.477 0.689 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054515787 768025841 /nfs/dbraw/zinc/02/58/41/768025841.db2.gz RHWHFGQFJJKUAM-KFWWJZLASA-N 1 1 342.447 0.761 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)c[nH]1 ZINC000991529527 761396392 /nfs/dbraw/zinc/39/63/92/761396392.db2.gz WTMLDUSRRZVJFU-CZUORRHYSA-N 1 1 341.415 0.701 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC(OC2C[NH+](C[C@H](C)O)C2)CC1 ZINC001105736247 761420142 /nfs/dbraw/zinc/42/01/42/761420142.db2.gz SIQGDFYGLHNRFG-KBPBESRZSA-N 1 1 326.437 0.650 20 30 ECEDMO C=C(C)CCN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082287 761456409 /nfs/dbraw/zinc/45/64/09/761456409.db2.gz XZKXEEAQXMOTJH-DLBZAZTESA-N 1 1 339.480 0.879 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(S(N)(=O)=O)o3)CCC[C@H]12 ZINC000991567510 761655595 /nfs/dbraw/zinc/65/55/95/761655595.db2.gz MIZJPPMTBYEDBU-WFASDCNBSA-N 1 1 339.417 0.840 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(S(N)(=O)=O)o3)CCC[C@@H]12 ZINC000991567503 761655674 /nfs/dbraw/zinc/65/56/74/761655674.db2.gz MIZJPPMTBYEDBU-IUODEOHRSA-N 1 1 339.417 0.840 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CSCC#N)C1 ZINC001051205730 761685900 /nfs/dbraw/zinc/68/59/00/761685900.db2.gz MPUXTIAYXNFEAA-KGLIPLIRSA-N 1 1 349.460 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)nc1 ZINC001051213843 761703284 /nfs/dbraw/zinc/70/32/84/761703284.db2.gz FTLCQTZPEHFGCY-IRXDYDNUSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H]2CCCOC2)nc1 ZINC001051213843 761703291 /nfs/dbraw/zinc/70/32/91/761703291.db2.gz FTLCQTZPEHFGCY-IRXDYDNUSA-N 1 1 343.427 0.920 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1CNc1ccnc(C#N)n1 ZINC001060285201 761766935 /nfs/dbraw/zinc/76/69/35/761766935.db2.gz QDRNWAPSCGYOSZ-AWEZNQCLSA-N 1 1 339.403 0.768 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCCNC3=O)cccc2C1 ZINC001051290269 761837620 /nfs/dbraw/zinc/83/76/20/761837620.db2.gz ILQSNTGRFSVVQX-KRWDZBQOSA-N 1 1 325.412 0.820 20 30 ECEDMO CC#CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CNC(=O)N3)cccc2C1 ZINC001051299801 761852535 /nfs/dbraw/zinc/85/25/35/761852535.db2.gz PDUMFCOLROBDKN-INIZCTEOSA-N 1 1 326.400 0.366 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001014466410 762722402 /nfs/dbraw/zinc/72/24/02/762722402.db2.gz CCRRRAYFHNFGGL-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1cc(C)ncc1C#N ZINC001105918089 762756323 /nfs/dbraw/zinc/75/63/23/762756323.db2.gz WQUQGZQUWXMXPF-OAHLLOKOSA-N 1 1 333.436 0.305 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)ccc1C#N ZINC001105927314 762842658 /nfs/dbraw/zinc/84/26/58/762842658.db2.gz FGENRDITYUFTDS-QAPCUYQASA-N 1 1 343.431 0.637 20 30 ECEDMO Cc1nn[nH]c1C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001051748137 762864951 /nfs/dbraw/zinc/86/49/51/762864951.db2.gz WITPIJYUDMTFTJ-HNNXBMFYSA-N 1 1 340.387 0.616 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001051750677 762873287 /nfs/dbraw/zinc/87/32/87/762873287.db2.gz OQYBJIFOXBZSSU-CABCVRRESA-N 1 1 340.387 0.214 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1=O ZINC001014615802 762907684 /nfs/dbraw/zinc/90/76/84/762907684.db2.gz JMAIGVFXUHFBGO-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1=O ZINC001014615802 762907686 /nfs/dbraw/zinc/90/76/86/762907686.db2.gz JMAIGVFXUHFBGO-CABCVRRESA-N 1 1 344.390 0.866 20 30 ECEDMO Cc1nc(NCC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001106295034 768092296 /nfs/dbraw/zinc/09/22/96/768092296.db2.gz WVRIIMNQSVCBBE-IUODEOHRSA-N 1 1 331.420 0.899 20 30 ECEDMO Cc1nc(NCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001106295034 768092304 /nfs/dbraw/zinc/09/23/04/768092304.db2.gz WVRIIMNQSVCBBE-IUODEOHRSA-N 1 1 331.420 0.899 20 30 ECEDMO Cc1nsc(NCC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001106294189 768095805 /nfs/dbraw/zinc/09/58/05/768095805.db2.gz QEWHKYSQIMWCTB-GWCFXTLKSA-N 1 1 337.449 0.961 20 30 ECEDMO Cc1nsc(NCC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001106294189 768095812 /nfs/dbraw/zinc/09/58/12/768095812.db2.gz QEWHKYSQIMWCTB-GWCFXTLKSA-N 1 1 337.449 0.961 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051803317 763001593 /nfs/dbraw/zinc/00/15/93/763001593.db2.gz LZAUNAFQSLGATF-RHSMWYFYSA-N 1 1 348.451 0.927 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncc(C)o3)C2)c1 ZINC001051816169 763031168 /nfs/dbraw/zinc/03/11/68/763031168.db2.gz HLIZKFCGZLWAJH-INIZCTEOSA-N 1 1 340.383 0.990 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cn(CC)nn2)C1 ZINC001051834252 763077217 /nfs/dbraw/zinc/07/72/17/763077217.db2.gz KXSIAVHBLXEZLT-OAGGEKHMSA-N 1 1 349.435 0.206 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C(C)C)o2)C1 ZINC001014768249 763121628 /nfs/dbraw/zinc/12/16/28/763121628.db2.gz AJLGOHVBFPFJSH-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C(C)C)o2)C1 ZINC001014768249 763121634 /nfs/dbraw/zinc/12/16/34/763121634.db2.gz AJLGOHVBFPFJSH-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnc4n3CCC4)C2)C1=O ZINC001014768341 763121742 /nfs/dbraw/zinc/12/17/42/763121742.db2.gz CEIHIEMTFHMEAJ-KBPBESRZSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnc4n3CCC4)C2)C1=O ZINC001014768341 763121750 /nfs/dbraw/zinc/12/17/50/763121750.db2.gz CEIHIEMTFHMEAJ-KBPBESRZSA-N 1 1 343.431 0.420 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(OC)no2)C1 ZINC001014780093 763140426 /nfs/dbraw/zinc/14/04/26/763140426.db2.gz PGVITSWZCLOUNC-HIFRSBDPSA-N 1 1 332.404 0.471 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(OC)no2)C1 ZINC001014780093 763140431 /nfs/dbraw/zinc/14/04/31/763140431.db2.gz PGVITSWZCLOUNC-HIFRSBDPSA-N 1 1 332.404 0.471 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnc(C)cn2)C1 ZINC001014781246 763141963 /nfs/dbraw/zinc/14/19/63/763141963.db2.gz ZSKKAFUGQFYNRD-RDJZCZTQSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnc(C)cn2)C1 ZINC001014781246 763141966 /nfs/dbraw/zinc/14/19/66/763141966.db2.gz ZSKKAFUGQFYNRD-RDJZCZTQSA-N 1 1 327.432 0.573 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3nc(CC)c[nH]3)C2)C1=O ZINC001014788316 763158706 /nfs/dbraw/zinc/15/87/06/763158706.db2.gz GBVJDGYMFRXMNK-GJZGRUSLSA-N 1 1 345.447 0.492 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3nc(CC)c[nH]3)C2)C1=O ZINC001014788316 763158710 /nfs/dbraw/zinc/15/87/10/763158710.db2.gz GBVJDGYMFRXMNK-GJZGRUSLSA-N 1 1 345.447 0.492 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)c1 ZINC001014810531 763210951 /nfs/dbraw/zinc/21/09/51/763210951.db2.gz HSEYZUNKEBCEHV-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000940296379 763262386 /nfs/dbraw/zinc/26/23/86/763262386.db2.gz ZGYLMDPNKWYMJG-WOSRLPQWSA-N 1 1 343.431 0.805 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(=O)cn1 ZINC001089857507 763263502 /nfs/dbraw/zinc/26/35/02/763263502.db2.gz ZHTCIMFTJSXGOP-FQLMCAECSA-N 1 1 326.400 0.576 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001014840828 763287328 /nfs/dbraw/zinc/28/73/28/763287328.db2.gz UIBFAODFEABPLG-VXGBXAGGSA-N 1 1 333.392 0.015 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001014840828 763287335 /nfs/dbraw/zinc/28/73/35/763287335.db2.gz UIBFAODFEABPLG-VXGBXAGGSA-N 1 1 333.392 0.015 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001046936412 763419961 /nfs/dbraw/zinc/41/99/61/763419961.db2.gz VATJSXIZVCNYIL-GFCCVEGCSA-N 1 1 343.378 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2c(C)nnn2CC)C1 ZINC001046943586 763432290 /nfs/dbraw/zinc/43/22/90/763432290.db2.gz VBZRIDWKBFNYKX-GFCCVEGCSA-N 1 1 325.363 0.927 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c(C)nnn2CC)C1 ZINC001046943586 763432298 /nfs/dbraw/zinc/43/22/98/763432298.db2.gz VBZRIDWKBFNYKX-GFCCVEGCSA-N 1 1 325.363 0.927 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c(C)nnn2CC)C1 ZINC001046943587 763432413 /nfs/dbraw/zinc/43/24/13/763432413.db2.gz VBZRIDWKBFNYKX-LBPRGKRZSA-N 1 1 325.363 0.927 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c(C)nnn2CC)C1 ZINC001046943587 763432420 /nfs/dbraw/zinc/43/24/20/763432420.db2.gz VBZRIDWKBFNYKX-LBPRGKRZSA-N 1 1 325.363 0.927 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(C(C)C)no2)C1 ZINC001030462030 763433047 /nfs/dbraw/zinc/43/30/47/763433047.db2.gz IASJRQNJYOVACY-AWEZNQCLSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(C(C)C)no2)C1 ZINC001030462030 763433050 /nfs/dbraw/zinc/43/30/50/763433050.db2.gz IASJRQNJYOVACY-AWEZNQCLSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccnc(OC)c2)C1 ZINC001030461982 763433323 /nfs/dbraw/zinc/43/33/23/763433323.db2.gz FYJWEPOHLJVBNB-INIZCTEOSA-N 1 1 328.416 0.488 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccnc(OC)c2)C1 ZINC001030461982 763433329 /nfs/dbraw/zinc/43/33/29/763433329.db2.gz FYJWEPOHLJVBNB-INIZCTEOSA-N 1 1 328.416 0.488 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046944596 763433338 /nfs/dbraw/zinc/43/33/38/763433338.db2.gz JSYZROHHVCEDLS-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001054654919 768134507 /nfs/dbraw/zinc/13/45/07/768134507.db2.gz HAELATAIKWWIRO-UKRRQHHQSA-N 1 1 330.436 0.823 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001046951793 763447888 /nfs/dbraw/zinc/44/78/88/763447888.db2.gz NXMONJJERNKJQO-MJBXVCDLSA-N 1 1 330.375 0.887 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001046951793 763447893 /nfs/dbraw/zinc/44/78/93/763447893.db2.gz NXMONJJERNKJQO-MJBXVCDLSA-N 1 1 330.375 0.887 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000995086666 763450050 /nfs/dbraw/zinc/45/00/50/763450050.db2.gz PFPJAAYAQRBVCD-MRXNPFEDSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cn(C(C)(C)C)nn2)C1 ZINC001030464358 763457134 /nfs/dbraw/zinc/45/71/34/763457134.db2.gz QGTDXWRBCVKUBP-INIZCTEOSA-N 1 1 344.463 0.431 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cn(C(C)(C)C)nn2)C1 ZINC001030464358 763457140 /nfs/dbraw/zinc/45/71/40/763457140.db2.gz QGTDXWRBCVKUBP-INIZCTEOSA-N 1 1 344.463 0.431 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C23CCC(CC2)C3)C1 ZINC000995090813 763468875 /nfs/dbraw/zinc/46/88/75/763468875.db2.gz LIYDZJQHJFJUCC-RCDNUKIMSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C23CCC(CC2)C3)C1 ZINC000995090813 763468882 /nfs/dbraw/zinc/46/88/82/763468882.db2.gz LIYDZJQHJFJUCC-RCDNUKIMSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001046967879 763483272 /nfs/dbraw/zinc/48/32/72/763483272.db2.gz ZHURZULHWGZAAW-QWHCGFSZSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001046981684 763503258 /nfs/dbraw/zinc/50/32/58/763503258.db2.gz TVZVOACRLWQICN-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001046981684 763503265 /nfs/dbraw/zinc/50/32/65/763503265.db2.gz TVZVOACRLWQICN-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001046983569 763509409 /nfs/dbraw/zinc/50/94/09/763509409.db2.gz GVPSKCDKVICBSB-NSHDSACASA-N 1 1 326.347 0.987 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001046985887 763515899 /nfs/dbraw/zinc/51/58/99/763515899.db2.gz JXYFAOVMPJQBNW-RYUDHWBXSA-N 1 1 337.374 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001046985887 763515907 /nfs/dbraw/zinc/51/59/07/763515907.db2.gz JXYFAOVMPJQBNW-RYUDHWBXSA-N 1 1 337.374 0.616 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001046985437 763516111 /nfs/dbraw/zinc/51/61/11/763516111.db2.gz DWPYBUSFTHCHFQ-NSHDSACASA-N 1 1 349.341 0.755 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001046985437 763516115 /nfs/dbraw/zinc/51/61/15/763516115.db2.gz DWPYBUSFTHCHFQ-NSHDSACASA-N 1 1 349.341 0.755 20 30 ECEDMO CN(CCOCCNc1cncc(C#N)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001127320042 768141215 /nfs/dbraw/zinc/14/12/15/768141215.db2.gz KZEYXNDYVMRABG-CYBMUJFWSA-N 1 1 332.408 0.187 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)C1 ZINC001046996253 763537420 /nfs/dbraw/zinc/53/74/20/763537420.db2.gz NWFFCEODBOKYQY-OLZOCXBDSA-N 1 1 330.379 0.304 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)C1 ZINC001046996253 763537424 /nfs/dbraw/zinc/53/74/24/763537424.db2.gz NWFFCEODBOKYQY-OLZOCXBDSA-N 1 1 330.379 0.304 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)nn3C)C2)CC1 ZINC001051994466 763540799 /nfs/dbraw/zinc/54/07/99/763540799.db2.gz YASVHSMGZXLYTC-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(-n3cccn3)ccn2)[C@@H](O)C1 ZINC001083770377 763597520 /nfs/dbraw/zinc/59/75/20/763597520.db2.gz GEXVQWDJWBUSDN-CVEARBPZSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cccn3)ccn2)[C@@H](O)C1 ZINC001083770377 763597527 /nfs/dbraw/zinc/59/75/27/763597527.db2.gz GEXVQWDJWBUSDN-CVEARBPZSA-N 1 1 327.388 0.618 20 30 ECEDMO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccnn3C)C2)CC1 ZINC001052018421 763597761 /nfs/dbraw/zinc/59/77/61/763597761.db2.gz JZGXBPQBGVVIIH-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@@H]2C)c1 ZINC001088846951 763613887 /nfs/dbraw/zinc/61/38/87/763613887.db2.gz PNHAOBKXCJKVOQ-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C2)CC1 ZINC001052027576 763622764 /nfs/dbraw/zinc/62/27/64/763622764.db2.gz HPMLCHIWNBOLGZ-HNNXBMFYSA-N 1 1 344.463 0.561 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nnn3CC)C2)CC1 ZINC001052035467 763642108 /nfs/dbraw/zinc/64/21/08/763642108.db2.gz COYRLAORVYCTHA-HNNXBMFYSA-N 1 1 330.436 0.072 20 30 ECEDMO Cc1ccncc1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052037561 763655213 /nfs/dbraw/zinc/65/52/13/763655213.db2.gz NNOLFGFKRHMBOH-QGZVFWFLSA-N 1 1 327.432 0.675 20 30 ECEDMO COc1ccncc1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052043423 763674795 /nfs/dbraw/zinc/67/47/95/763674795.db2.gz XVTLAUUWFGSACN-MRXNPFEDSA-N 1 1 343.431 0.375 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnn(C(C)(C)C)n1 ZINC001017583512 768152638 /nfs/dbraw/zinc/15/26/38/768152638.db2.gz ZNTQBLWKSCDEDS-OKILXGFUSA-N 1 1 330.436 0.669 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052044729 763680539 /nfs/dbraw/zinc/68/05/39/763680539.db2.gz KYWRJSPCSRVTTQ-QZTJIDSGSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212185570 763685521 /nfs/dbraw/zinc/68/55/21/763685521.db2.gz XJYOGVRUERJFIZ-BZUAXINKSA-N 1 1 337.464 0.861 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212185570 763685528 /nfs/dbraw/zinc/68/55/28/763685528.db2.gz XJYOGVRUERJFIZ-BZUAXINKSA-N 1 1 337.464 0.861 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cncc4[nH]ccc43)C2)CC1 ZINC001052046646 763687466 /nfs/dbraw/zinc/68/74/66/763687466.db2.gz BJKSWXOKMFGKKP-AWEZNQCLSA-N 1 1 338.415 0.919 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncc(OC)cn3)C2)CC1 ZINC001052049156 763700390 /nfs/dbraw/zinc/70/03/90/763700390.db2.gz IHTNAHSMLAMUNE-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3coc(C(N)=O)c3)C2)CC1 ZINC001052057013 763729885 /nfs/dbraw/zinc/72/98/85/763729885.db2.gz JQOMCDILWPWSMJ-CQSZACIVSA-N 1 1 332.404 0.397 20 30 ECEDMO Cc1ccn([C@H](C)CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052060475 763740964 /nfs/dbraw/zinc/74/09/64/763740964.db2.gz FOCHXMYJPYEZBA-IAGOWNOFSA-N 1 1 344.463 0.885 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H](C)n3ccc(C)n3)C2)CC1 ZINC001052060478 763741247 /nfs/dbraw/zinc/74/12/47/763741247.db2.gz FREUALZBTAUJGC-MSOLQXFVSA-N 1 1 343.475 0.994 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2cnon2)C3)nn1 ZINC001047159336 763743661 /nfs/dbraw/zinc/74/36/61/763743661.db2.gz DKPKYSSDMCUTMT-OBJOEFQTSA-N 1 1 343.391 0.630 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cnon2)C3)nn1 ZINC001047159336 763743664 /nfs/dbraw/zinc/74/36/64/763743664.db2.gz DKPKYSSDMCUTMT-OBJOEFQTSA-N 1 1 343.391 0.630 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3cncnc3)C2)CC1 ZINC001052070007 763767118 /nfs/dbraw/zinc/76/71/18/763767118.db2.gz ATANYZVGIQEMAH-DOTOQJQBSA-N 1 1 327.432 0.432 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052073993 763778155 /nfs/dbraw/zinc/77/81/55/763778155.db2.gz RFBPQYZYEWFMFJ-SFHVURJKSA-N 1 1 332.492 0.570 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CCc3ccnc(C)n3)CC2)C1 ZINC000941501929 763784096 /nfs/dbraw/zinc/78/40/96/763784096.db2.gz IJUYHXSVOYTSDS-UHFFFAOYSA-N 1 1 329.448 0.732 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081360 763797197 /nfs/dbraw/zinc/79/71/97/763797197.db2.gz AETWYRYKTIYURO-ZWKOTPCHSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081360 763797202 /nfs/dbraw/zinc/79/72/02/763797202.db2.gz AETWYRYKTIYURO-ZWKOTPCHSA-N 1 1 332.492 0.713 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3n[nH]c4c3CCC4)C2)C1=O ZINC001015069275 763802836 /nfs/dbraw/zinc/80/28/36/763802836.db2.gz FIFONZZYIPANCQ-WFASDCNBSA-N 1 1 343.431 0.489 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]c4c3CCC4)C2)C1=O ZINC001015069275 763802845 /nfs/dbraw/zinc/80/28/45/763802845.db2.gz FIFONZZYIPANCQ-WFASDCNBSA-N 1 1 343.431 0.489 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052086644 763814815 /nfs/dbraw/zinc/81/48/15/763814815.db2.gz DZOSGEQEPXNXAK-HNNXBMFYSA-N 1 1 337.855 0.941 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052086644 763814820 /nfs/dbraw/zinc/81/48/20/763814820.db2.gz DZOSGEQEPXNXAK-HNNXBMFYSA-N 1 1 337.855 0.941 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)CC1 ZINC001052087377 763819181 /nfs/dbraw/zinc/81/91/81/763819181.db2.gz UWTCYCZICDGMAZ-HNNXBMFYSA-N 1 1 329.448 0.998 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001047234497 763823666 /nfs/dbraw/zinc/82/36/66/763823666.db2.gz VYJINUAXEBIVNY-YSVLISHTSA-N 1 1 343.431 0.403 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001047234497 763823672 /nfs/dbraw/zinc/82/36/72/763823672.db2.gz VYJINUAXEBIVNY-YSVLISHTSA-N 1 1 343.431 0.403 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ocnc3CC)C2)C1=O ZINC001031964553 763834204 /nfs/dbraw/zinc/83/42/04/763834204.db2.gz FRYRTHCXLSRHBC-AWEZNQCLSA-N 1 1 332.404 0.686 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001015082259 763840073 /nfs/dbraw/zinc/84/00/73/763840073.db2.gz AEHICQJDAYDMJY-LLVKDONJSA-N 1 1 327.406 0.697 20 30 ECEDMO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052098965 763855408 /nfs/dbraw/zinc/85/54/08/763855408.db2.gz SEIKWTGEDUYYHV-BBRMVZONSA-N 1 1 344.463 0.872 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(CCC)nn3)C2)CC1 ZINC001052102377 763866557 /nfs/dbraw/zinc/86/65/57/763866557.db2.gz FKFYLRRKLRYFPV-MRXNPFEDSA-N 1 1 344.463 0.544 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052105308 763875378 /nfs/dbraw/zinc/87/53/78/763875378.db2.gz HVVJZMIJRBTVNR-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(OC)nn3)C2)CC1 ZINC001052105970 763878264 /nfs/dbraw/zinc/87/82/64/763878264.db2.gz XKPPFLDAMUKWHK-CQSZACIVSA-N 1 1 331.420 0.503 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(CC4CC4)c3)C2)CC1 ZINC001052105994 763878359 /nfs/dbraw/zinc/87/83/59/763878359.db2.gz YHYHZCPZWHXDFM-SFHVURJKSA-N 1 1 341.459 0.758 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106201 763879821 /nfs/dbraw/zinc/87/98/21/763879821.db2.gz FMMUSWXHBQRPBJ-HOCLYGCPSA-N 1 1 342.447 0.257 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106970 763882937 /nfs/dbraw/zinc/88/29/37/763882937.db2.gz YFYCVVAKDKRUSP-WBVHZDCISA-N 1 1 343.475 0.919 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052107267 763884597 /nfs/dbraw/zinc/88/45/97/763884597.db2.gz CNICCVIYETXHFJ-QGZVFWFLSA-N 1 1 330.476 0.324 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106344908 768173305 /nfs/dbraw/zinc/17/33/05/768173305.db2.gz RXUMGJGSVHHQHH-JSGCOSHPSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2cnc(C#N)cn2)C1 ZINC001106344908 768173308 /nfs/dbraw/zinc/17/33/08/768173308.db2.gz RXUMGJGSVHHQHH-JSGCOSHPSA-N 1 1 332.408 0.376 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3Cc4cccnc4C3)C2)CC1 ZINC001052112772 763908292 /nfs/dbraw/zinc/90/82/92/763908292.db2.gz DAIHLSKDHZTNEJ-QZTJIDSGSA-N 1 1 338.455 0.648 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C2)CC1 ZINC001052117031 763925376 /nfs/dbraw/zinc/92/53/76/763925376.db2.gz DOADBYHMSMYECR-MRXNPFEDSA-N 1 1 349.479 0.182 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C2)CC1 ZINC001052117031 763925386 /nfs/dbraw/zinc/92/53/86/763925386.db2.gz DOADBYHMSMYECR-MRXNPFEDSA-N 1 1 349.479 0.182 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052120143 763937988 /nfs/dbraw/zinc/93/79/88/763937988.db2.gz ZIKZZLJFKKAKGX-ZBFHGGJFSA-N 1 1 342.447 0.257 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCn3cc(C)cn3)C2)CC1 ZINC001052122569 763947336 /nfs/dbraw/zinc/94/73/36/763947336.db2.gz WWAYMSIJPJEPCS-QGZVFWFLSA-N 1 1 331.464 0.986 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCn3cc(C)cn3)C2)CC1 ZINC001052122569 763947338 /nfs/dbraw/zinc/94/73/38/763947338.db2.gz WWAYMSIJPJEPCS-QGZVFWFLSA-N 1 1 331.464 0.986 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001047310013 763950131 /nfs/dbraw/zinc/95/01/31/763950131.db2.gz JERNPWWUVXTDBL-BFHYXJOUSA-N 1 1 328.420 0.997 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001047310317 763951488 /nfs/dbraw/zinc/95/14/88/763951488.db2.gz QHFLNELOSMLOTG-BFHYXJOUSA-N 1 1 328.420 0.419 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052124203 763951599 /nfs/dbraw/zinc/95/15/99/763951599.db2.gz ZQNIGISIWKHAFA-WBVHZDCISA-N 1 1 331.464 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052124203 763951608 /nfs/dbraw/zinc/95/16/08/763951608.db2.gz ZQNIGISIWKHAFA-WBVHZDCISA-N 1 1 331.464 0.928 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088864420 763960931 /nfs/dbraw/zinc/96/09/31/763960931.db2.gz JMUSGTCTMDDQOE-FWYOQMDTSA-N 1 1 326.400 0.759 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C2)CC1 ZINC001052130748 763963145 /nfs/dbraw/zinc/96/31/45/763963145.db2.gz BTDZOPOFQCQYDH-OAHLLOKOSA-N 1 1 343.431 0.199 20 30 ECEDMO COCC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](COC)OC ZINC001099220072 768178975 /nfs/dbraw/zinc/17/89/75/768178975.db2.gz GXVAAEJFKJDYAN-CVEARBPZSA-N 1 1 340.464 0.904 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](COC)OC ZINC001099220072 768178980 /nfs/dbraw/zinc/17/89/80/768178980.db2.gz GXVAAEJFKJDYAN-CVEARBPZSA-N 1 1 340.464 0.904 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001047338627 764047201 /nfs/dbraw/zinc/04/72/01/764047201.db2.gz ZPKMAHMUADISRR-HOTGVXAUSA-N 1 1 332.404 0.430 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(OC)nc3)C2)C1=O ZINC001015185861 764097435 /nfs/dbraw/zinc/09/74/35/764097435.db2.gz KUMFHTFKFRJOFO-HUUCEWRRSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(OC)nc3)C2)C1=O ZINC001015185861 764097444 /nfs/dbraw/zinc/09/74/44/764097444.db2.gz KUMFHTFKFRJOFO-HUUCEWRRSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)Cc3ccoc3)C2)C1=O ZINC001047358444 764106460 /nfs/dbraw/zinc/10/64/60/764106460.db2.gz XAQYYKTXXNGBGW-PMPSAXMXSA-N 1 1 347.415 0.113 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)Cc3ccoc3)C2)C1=O ZINC001047358444 764106467 /nfs/dbraw/zinc/10/64/67/764106467.db2.gz XAQYYKTXXNGBGW-PMPSAXMXSA-N 1 1 347.415 0.113 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnoc3CC)C2)C1=O ZINC001032018553 764137939 /nfs/dbraw/zinc/13/79/39/764137939.db2.gz LOWMYQJRXXYATH-CQSZACIVSA-N 1 1 332.404 0.686 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCOC)c2C)C1 ZINC001047376947 764158976 /nfs/dbraw/zinc/15/89/76/764158976.db2.gz CKWRYIWNQXGFDB-HOTGVXAUSA-N 1 1 336.436 0.531 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ncc(OC)cn3)C2)C1=O ZINC001015212613 764160088 /nfs/dbraw/zinc/16/00/88/764160088.db2.gz QJLIMCMTBGCJTE-TZMCWYRMSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ncc(OC)cn3)C2)C1=O ZINC001015212613 764160089 /nfs/dbraw/zinc/16/00/89/764160089.db2.gz QJLIMCMTBGCJTE-TZMCWYRMSA-N 1 1 345.403 0.076 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001106976168 764186208 /nfs/dbraw/zinc/18/62/08/764186208.db2.gz WACCJDDTKJBQKW-GJZGRUSLSA-N 1 1 344.419 0.472 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)c1 ZINC001052289227 764200332 /nfs/dbraw/zinc/20/03/32/764200332.db2.gz VRWOVNRUSBYTAU-DZGCQCFKSA-N 1 1 329.404 0.749 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001047395217 764203666 /nfs/dbraw/zinc/20/36/66/764203666.db2.gz ZJNHCEAKZDHMFE-GJZGRUSLSA-N 1 1 345.403 0.768 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001047395217 764203672 /nfs/dbraw/zinc/20/36/72/764203672.db2.gz ZJNHCEAKZDHMFE-GJZGRUSLSA-N 1 1 345.403 0.768 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2C[NH+]([C@@H](CC)C(N)=O)C2)cc1 ZINC001032030865 764206374 /nfs/dbraw/zinc/20/63/74/764206374.db2.gz JSXVMOFRPNGUBR-INIZCTEOSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398049 764214446 /nfs/dbraw/zinc/21/44/46/764214446.db2.gz AGUPXHKFAOYTDZ-XIRDDKMYSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001047406949 764245967 /nfs/dbraw/zinc/24/59/67/764245967.db2.gz BDKMCDZJUIMTOG-STQMWFEESA-N 1 1 345.403 0.367 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2COCC3)C1 ZINC001047406953 764246347 /nfs/dbraw/zinc/24/63/47/764246347.db2.gz BKPUZXRWMHCUOE-ROUUACIJSA-N 1 1 328.412 0.900 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3cnn(C)c3)C2)nn1 ZINC001032040985 764249254 /nfs/dbraw/zinc/24/92/54/764249254.db2.gz ACODFMUCHZSGKB-UHFFFAOYSA-N 1 1 329.408 0.450 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3nccnc3c2)C1 ZINC001047410517 764260371 /nfs/dbraw/zinc/26/03/71/764260371.db2.gz MFARBNXZPQTYMT-GJZGRUSLSA-N 1 1 325.372 0.165 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cn2)OCCO3)C1 ZINC001047412491 764263620 /nfs/dbraw/zinc/26/36/20/764263620.db2.gz UAEQHLQIGJGPTA-KBPBESRZSA-N 1 1 333.388 0.546 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001047414451 764269954 /nfs/dbraw/zinc/26/99/54/764269954.db2.gz INGOGSGQNYNVNA-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001047414451 764269963 /nfs/dbraw/zinc/26/99/63/764269963.db2.gz INGOGSGQNYNVNA-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO CCN(CCNc1ccc(C#N)nc1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106988096 764275942 /nfs/dbraw/zinc/27/59/42/764275942.db2.gz OGJACYRPNFMEQZ-CZUORRHYSA-N 1 1 331.420 0.933 20 30 ECEDMO CCN(CCNc1ccc(C#N)nc1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106988096 764275951 /nfs/dbraw/zinc/27/59/51/764275951.db2.gz OGJACYRPNFMEQZ-CZUORRHYSA-N 1 1 331.420 0.933 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3nonc3C)C2)nn1 ZINC001098762828 764282781 /nfs/dbraw/zinc/28/27/81/764282781.db2.gz PGLZJLWZSGRXCR-CQSZACIVSA-N 1 1 345.407 0.651 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)c3cnn(C)n3)C2)cc1C#N ZINC001032047519 764296897 /nfs/dbraw/zinc/29/68/97/764296897.db2.gz DLSZLJNOLCDRAQ-UHFFFAOYSA-N 1 1 340.387 0.557 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001047426877 764311790 /nfs/dbraw/zinc/31/17/90/764311790.db2.gz KYKQKGFJIYQTTG-KBMXLJTQSA-N 1 1 348.447 0.538 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(N)=O)c2)C1 ZINC001047433795 764332680 /nfs/dbraw/zinc/33/26/80/764332680.db2.gz QPQAYRKQEWFULU-HOTGVXAUSA-N 1 1 331.416 0.869 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn3ccc(C)cc23)C1 ZINC001047438523 764346161 /nfs/dbraw/zinc/34/61/61/764346161.db2.gz QKBXWUKAQDJMLH-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn3ccc(C)cc23)C1 ZINC001047438523 764346164 /nfs/dbraw/zinc/34/61/64/764346164.db2.gz QKBXWUKAQDJMLH-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ncc[nH]3)CC2)C1=O ZINC001052370620 764348250 /nfs/dbraw/zinc/34/82/50/764348250.db2.gz CWGVIPIBSWMOSU-KGLIPLIRSA-N 1 1 331.420 0.781 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(NC(C)=O)n2)C1 ZINC001047439147 764349051 /nfs/dbraw/zinc/34/90/51/764349051.db2.gz ZFDKZXBDILXQCO-STQMWFEESA-N 1 1 338.433 0.795 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(NC(C)=O)n2)C1 ZINC001047439147 764349054 /nfs/dbraw/zinc/34/90/54/764349054.db2.gz ZFDKZXBDILXQCO-STQMWFEESA-N 1 1 338.433 0.795 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001077478818 764352045 /nfs/dbraw/zinc/35/20/45/764352045.db2.gz PGLUDWBSCGFWLQ-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3sccn3c2=O)C1 ZINC001047447401 764375831 /nfs/dbraw/zinc/37/58/31/764375831.db2.gz QLHCEAMPDZYROV-STQMWFEESA-N 1 1 348.428 0.449 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001047451948 764388199 /nfs/dbraw/zinc/38/81/99/764388199.db2.gz PPLPINOZTGIHNX-HOTGVXAUSA-N 1 1 327.384 0.322 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001047451948 764388205 /nfs/dbraw/zinc/38/82/05/764388205.db2.gz PPLPINOZTGIHNX-HOTGVXAUSA-N 1 1 327.384 0.322 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001047452048 764390205 /nfs/dbraw/zinc/39/02/05/764390205.db2.gz VEEALPWVQAWBSG-IRXDYDNUSA-N 1 1 341.411 0.712 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001047452048 764390212 /nfs/dbraw/zinc/39/02/12/764390212.db2.gz VEEALPWVQAWBSG-IRXDYDNUSA-N 1 1 341.411 0.712 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001047456265 764399372 /nfs/dbraw/zinc/39/93/72/764399372.db2.gz OWJHCGASRFYGMT-RYUDHWBXSA-N 1 1 342.321 0.636 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001047473538 764443742 /nfs/dbraw/zinc/44/37/42/764443742.db2.gz SULATWKYXZBBCI-BPUTZDHNSA-N 1 1 346.431 0.064 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cnn(C)c2)C1 ZINC000991895847 764466698 /nfs/dbraw/zinc/46/66/98/764466698.db2.gz MHMQIVRLTSWTBP-BCLQGDPASA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cnn(C)c2)C1 ZINC000991895847 764466704 /nfs/dbraw/zinc/46/67/04/764466704.db2.gz MHMQIVRLTSWTBP-BCLQGDPASA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001047481695 764474319 /nfs/dbraw/zinc/47/43/19/764474319.db2.gz FTLXCMMORWTQPS-GJZGRUSLSA-N 1 1 327.388 0.096 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001047481695 764474323 /nfs/dbraw/zinc/47/43/23/764474323.db2.gz FTLXCMMORWTQPS-GJZGRUSLSA-N 1 1 327.388 0.096 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001052429004 764476354 /nfs/dbraw/zinc/47/63/54/764476354.db2.gz LFHZGNTWVQTRMM-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2-c2cnn(C)c2)C1 ZINC001047501279 764527091 /nfs/dbraw/zinc/52/70/91/764527091.db2.gz PLVBXROATGPHDM-GJZGRUSLSA-N 1 1 330.388 0.983 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2-c2cnn(C)c2)C1 ZINC001047501279 764527094 /nfs/dbraw/zinc/52/70/94/764527094.db2.gz PLVBXROATGPHDM-GJZGRUSLSA-N 1 1 330.388 0.983 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC001052458541 764544326 /nfs/dbraw/zinc/54/43/26/764544326.db2.gz DMGLGCBUVBYHNH-ROUUACIJSA-N 1 1 343.475 0.951 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@@H]2O)C1 ZINC001083780737 764547498 /nfs/dbraw/zinc/54/74/98/764547498.db2.gz IIWSZUDKPMPOSM-MAZHCROVSA-N 1 1 348.472 0.623 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001047528777 764604061 /nfs/dbraw/zinc/60/40/61/764604061.db2.gz BMAWBIRBXNHXKO-HOTGVXAUSA-N 1 1 343.431 0.217 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001047529916 764609345 /nfs/dbraw/zinc/60/93/45/764609345.db2.gz UYNRJDIANIRXEO-GJZGRUSLSA-N 1 1 348.447 0.216 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)nn(C)c3C)C2)C1=O ZINC001015447665 764658477 /nfs/dbraw/zinc/65/84/77/764658477.db2.gz SDKQQNWAXNRVSY-LSDHHAIUSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)nn(C)c3C)C2)C1=O ZINC001015447665 764658481 /nfs/dbraw/zinc/65/84/81/764658481.db2.gz SDKQQNWAXNRVSY-LSDHHAIUSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]ncc2Br)C1 ZINC001047567828 764713170 /nfs/dbraw/zinc/71/31/70/764713170.db2.gz XSXWMYWJTMZGOV-QWRGUYRKSA-N 1 1 343.225 0.865 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001052554896 764748275 /nfs/dbraw/zinc/74/82/75/764748275.db2.gz TUIGBIYXGLVWPI-BBRMVZONSA-N 1 1 328.416 0.816 20 30 ECEDMO CN(C(=O)[C@@]1(C)CCOC1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047576575 764748338 /nfs/dbraw/zinc/74/83/38/764748338.db2.gz OHCKQGKHLSXBAZ-LNLFQRSKSA-N 1 1 343.427 0.988 20 30 ECEDMO CN(C(=O)[C@@]1(C)CCOC1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047576575 764748346 /nfs/dbraw/zinc/74/83/46/764748346.db2.gz OHCKQGKHLSXBAZ-LNLFQRSKSA-N 1 1 343.427 0.988 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001052563152 764765817 /nfs/dbraw/zinc/76/58/17/764765817.db2.gz IWNSBMUEGFPRFW-OAHLLOKOSA-N 1 1 343.493 0.959 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001047582567 764772422 /nfs/dbraw/zinc/77/24/22/764772422.db2.gz XVTCNWFAUWEBTN-KCXAZCMYSA-N 1 1 330.432 0.675 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001047588755 764792050 /nfs/dbraw/zinc/79/20/50/764792050.db2.gz SCCKQEWGLRNGOC-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001047589020 764793634 /nfs/dbraw/zinc/79/36/34/764793634.db2.gz YJBJXJXYWVNDFS-KKUMJFAQSA-N 1 1 344.477 0.281 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001047589020 764793642 /nfs/dbraw/zinc/79/36/42/764793642.db2.gz YJBJXJXYWVNDFS-KKUMJFAQSA-N 1 1 344.477 0.281 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc[nH]c3C2)C1 ZINC001047589355 764794522 /nfs/dbraw/zinc/79/45/22/764794522.db2.gz FQRXOODKPSUYJO-COXVUDFISA-N 1 1 332.448 0.984 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001047589355 764794529 /nfs/dbraw/zinc/79/45/29/764794529.db2.gz FQRXOODKPSUYJO-COXVUDFISA-N 1 1 332.448 0.984 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001047589355 764794535 /nfs/dbraw/zinc/79/45/35/764794535.db2.gz FQRXOODKPSUYJO-COXVUDFISA-N 1 1 332.448 0.984 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC)c2C2CC2)C1 ZINC001047589601 764796314 /nfs/dbraw/zinc/79/63/14/764796314.db2.gz MHMMNKLUXHKIBW-HOTGVXAUSA-N 1 1 330.432 0.921 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC)c2C2CC2)C1 ZINC001047589601 764796322 /nfs/dbraw/zinc/79/63/22/764796322.db2.gz MHMMNKLUXHKIBW-HOTGVXAUSA-N 1 1 330.432 0.921 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)[C@@H](O)C1 ZINC001083729172 768241162 /nfs/dbraw/zinc/24/11/62/768241162.db2.gz HCGSUMDHMPHSOH-UNEWFSDZSA-N 1 1 332.448 0.653 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(Cl)no3)C2)C1=O ZINC001032144607 764799899 /nfs/dbraw/zinc/79/98/99/764799899.db2.gz YSGVQFNYSDUCMJ-NSHDSACASA-N 1 1 338.795 0.777 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC001052586397 764801707 /nfs/dbraw/zinc/80/17/07/764801707.db2.gz IZGNQOADSIEGDW-AWEZNQCLSA-N 1 1 341.415 0.939 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)ccc1F ZINC001015504224 764819124 /nfs/dbraw/zinc/81/91/24/764819124.db2.gz NVYJDRMJIQGWHQ-ZIAGYGMSSA-N 1 1 330.363 0.524 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)ccc1F ZINC001015504224 764819131 /nfs/dbraw/zinc/81/91/31/764819131.db2.gz NVYJDRMJIQGWHQ-ZIAGYGMSSA-N 1 1 330.363 0.524 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)occc3=O)C1 ZINC001047595518 764821261 /nfs/dbraw/zinc/82/12/61/764821261.db2.gz FBOBBNXBRZSWMM-RDJZCZTQSA-N 1 1 340.379 0.933 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)occc3=O)C1 ZINC001047595518 764821269 /nfs/dbraw/zinc/82/12/69/764821269.db2.gz FBOBBNXBRZSWMM-RDJZCZTQSA-N 1 1 340.379 0.933 20 30 ECEDMO CC(=O)N1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)C1 ZINC001032156800 764827092 /nfs/dbraw/zinc/82/70/92/764827092.db2.gz ZHDQKPVNEKAIJP-IBGZPJMESA-N 1 1 339.439 0.955 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC001052607784 764841600 /nfs/dbraw/zinc/84/16/00/764841600.db2.gz SMIXYWSVQWBUIY-OAHLLOKOSA-N 1 1 341.415 0.490 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)COC3)C1 ZINC001047607312 764863405 /nfs/dbraw/zinc/86/34/05/764863405.db2.gz YSXNFBUTLYPNIC-ROUUACIJSA-N 1 1 328.412 0.786 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001047614256 764884937 /nfs/dbraw/zinc/88/49/37/764884937.db2.gz FOALNDRPFHGACV-JQFCIGGWSA-N 1 1 330.432 0.606 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(C)n3)[C@H]2C)C1=O ZINC001089046335 764888011 /nfs/dbraw/zinc/88/80/11/764888011.db2.gz DOVGZHHXYMPUJM-IVMMDQJWSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnc(C)n3)[C@H]2C)C1=O ZINC001089046335 764888020 /nfs/dbraw/zinc/88/80/20/764888020.db2.gz DOVGZHHXYMPUJM-IVMMDQJWSA-N 1 1 343.431 0.765 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(cccc3C)n2)C1 ZINC001047623383 764909575 /nfs/dbraw/zinc/90/95/75/764909575.db2.gz WFIJMSBVVSILAS-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001047624034 764912029 /nfs/dbraw/zinc/91/20/29/764912029.db2.gz DBEHDDSYUIJCSY-HOTGVXAUSA-N 1 1 346.431 0.184 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C ZINC001089061159 764924248 /nfs/dbraw/zinc/92/42/48/764924248.db2.gz NNJAYGUQQCQJGD-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047627708 764926193 /nfs/dbraw/zinc/92/61/93/764926193.db2.gz VCCDBGYZTRPWQW-BZSNNMDCSA-N 1 1 342.443 0.513 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3cnoc3)CC2)C1=O ZINC001052650442 764933485 /nfs/dbraw/zinc/93/34/85/764933485.db2.gz FEDOVERXVZIMRZ-JKSUJKDBSA-N 1 1 346.431 0.975 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001052670891 764970932 /nfs/dbraw/zinc/97/09/32/764970932.db2.gz JIFLDTUJLIHHMH-HOTGVXAUSA-N 1 1 341.415 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nonc3C)[C@H]2C)C1=O ZINC001089075953 764971934 /nfs/dbraw/zinc/97/19/34/764971934.db2.gz CBJUHXUKZAKPRV-AGIUHOORSA-N 1 1 333.392 0.358 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nonc3C)[C@H]2C)C1=O ZINC001089075953 764971939 /nfs/dbraw/zinc/97/19/39/764971939.db2.gz CBJUHXUKZAKPRV-AGIUHOORSA-N 1 1 333.392 0.358 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CCS(C)(=O)=O)CC2)c1 ZINC001052696674 765001195 /nfs/dbraw/zinc/00/11/95/765001195.db2.gz TWKQXWDWLOVJFT-INIZCTEOSA-N 1 1 349.456 0.692 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CCS(C)(=O)=O)CC2)c1 ZINC001052696674 765001206 /nfs/dbraw/zinc/00/12/06/765001206.db2.gz TWKQXWDWLOVJFT-INIZCTEOSA-N 1 1 349.456 0.692 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cnnn4)cn3)CCC[C@@H]12 ZINC000991978029 765034464 /nfs/dbraw/zinc/03/44/64/765034464.db2.gz WDSISNNWHNYFIR-NVXWUHKLSA-N 1 1 339.403 0.970 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001052759595 765074628 /nfs/dbraw/zinc/07/46/28/765074628.db2.gz WMLDXMMZBRCXBP-HNNXBMFYSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H](CC)C(N)=O)CC2)nn1 ZINC001052774704 765095983 /nfs/dbraw/zinc/09/59/83/765095983.db2.gz HGHGKKMGJWBYIY-TZMCWYRMSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cncn3C)CC2)nn1 ZINC001052774794 765096387 /nfs/dbraw/zinc/09/63/87/765096387.db2.gz JQLGKMHRKPYDQG-CQSZACIVSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)CC2)nn1 ZINC001052775262 765097499 /nfs/dbraw/zinc/09/74/99/765097499.db2.gz RUROSBIJOIEDGS-ZDUSSCGKSA-N 1 1 344.423 0.377 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)CC2)nn1 ZINC001052775262 765097505 /nfs/dbraw/zinc/09/75/05/765097505.db2.gz RUROSBIJOIEDGS-ZDUSSCGKSA-N 1 1 344.423 0.377 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)ccc1F ZINC001015626975 765099381 /nfs/dbraw/zinc/09/93/81/765099381.db2.gz QFSHZZOVFWBURP-ZDUSSCGKSA-N 1 1 341.346 0.785 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)ccc1F ZINC001015626975 765099388 /nfs/dbraw/zinc/09/93/88/765099388.db2.gz QFSHZZOVFWBURP-ZDUSSCGKSA-N 1 1 341.346 0.785 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CNC(=O)N1 ZINC001015635206 765109146 /nfs/dbraw/zinc/10/91/46/765109146.db2.gz QKMAIDGYUVGWST-LSDHHAIUSA-N 1 1 346.818 0.563 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CNC(=O)N1 ZINC001015635206 765109153 /nfs/dbraw/zinc/10/91/53/765109153.db2.gz QKMAIDGYUVGWST-LSDHHAIUSA-N 1 1 346.818 0.563 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001052784149 765115787 /nfs/dbraw/zinc/11/57/87/765115787.db2.gz XBTDZBRLHWHSSA-CVEARBPZSA-N 1 1 337.464 0.577 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ocnc2C)C1 ZINC000992003054 765118219 /nfs/dbraw/zinc/11/82/19/765118219.db2.gz IKIHIHODBIIUPN-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ocnc2C)C1 ZINC000992003054 765118222 /nfs/dbraw/zinc/11/82/22/765118222.db2.gz IKIHIHODBIIUPN-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC001052795117 765134096 /nfs/dbraw/zinc/13/40/96/765134096.db2.gz HVTDALJMRPWELB-CYBMUJFWSA-N 1 1 327.388 0.549 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)c1 ZINC001015678774 765150249 /nfs/dbraw/zinc/15/02/49/765150249.db2.gz NIKIBBCHBFNRDR-HZPDHXFCSA-N 1 1 336.399 0.646 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CCn3nc(C)nc3C)C2)c1 ZINC001015679105 765150422 /nfs/dbraw/zinc/15/04/22/765150422.db2.gz UDKIOMRMHGNCRH-QGZVFWFLSA-N 1 1 338.415 0.776 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cccnn3)CC2)C1=O ZINC001052817076 765176087 /nfs/dbraw/zinc/17/60/87/765176087.db2.gz RRNQIUTUQLRRFP-GDBMZVCRSA-N 1 1 343.431 0.848 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000992027726 765203966 /nfs/dbraw/zinc/20/39/66/765203966.db2.gz HBKUJROVWPFRRN-QRTARXTBSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000992028942 765206997 /nfs/dbraw/zinc/20/69/97/765206997.db2.gz OFRXXDMOLYYVMD-HOCLYGCPSA-N 1 1 332.404 0.500 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC001052842766 765215515 /nfs/dbraw/zinc/21/55/15/765215515.db2.gz AJNDCUWAJPMJBK-CYBMUJFWSA-N 1 1 334.420 0.311 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC001052848552 765222803 /nfs/dbraw/zinc/22/28/03/765222803.db2.gz GQSPDBYIOKEWHT-HUUCEWRRSA-N 1 1 331.420 0.847 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001052863556 765247682 /nfs/dbraw/zinc/24/76/82/765247682.db2.gz PPGASJQCTAXIQZ-GFCCVEGCSA-N 1 1 342.827 0.604 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cncn3)CC2)C1=O ZINC001052918201 765342904 /nfs/dbraw/zinc/34/29/04/765342904.db2.gz PZUXHEYZTROTPT-HUUCEWRRSA-N 1 1 346.435 0.036 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nccnc2C(N)=O)CC1 ZINC001052921414 765351164 /nfs/dbraw/zinc/35/11/64/765351164.db2.gz ILDVZZLVONBSGS-NSHDSACASA-N 1 1 337.811 0.912 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nccnc2C(N)=O)CC1 ZINC001052921414 765351167 /nfs/dbraw/zinc/35/11/67/765351167.db2.gz ILDVZZLVONBSGS-NSHDSACASA-N 1 1 337.811 0.912 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3cnn(CC)c3)C2)nn1 ZINC001015810141 765366652 /nfs/dbraw/zinc/36/66/52/765366652.db2.gz AZMHWJDGDWGDGD-HNNXBMFYSA-N 1 1 343.435 0.727 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)nn1 ZINC001015810124 765367339 /nfs/dbraw/zinc/36/73/39/765367339.db2.gz AQUSIKHBSRKIQU-ZDUSSCGKSA-N 1 1 349.826 0.818 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)nn1 ZINC001015810124 765367347 /nfs/dbraw/zinc/36/73/47/765367347.db2.gz AQUSIKHBSRKIQU-ZDUSSCGKSA-N 1 1 349.826 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(OC)ns2)C1 ZINC000992072112 765371866 /nfs/dbraw/zinc/37/18/66/765371866.db2.gz CZWQUHPYGGDKHN-LBPRGKRZSA-N 1 1 348.428 0.190 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(OC)ns2)C1 ZINC000992072112 765371871 /nfs/dbraw/zinc/37/18/71/765371871.db2.gz CZWQUHPYGGDKHN-LBPRGKRZSA-N 1 1 348.428 0.190 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000992077088 765395484 /nfs/dbraw/zinc/39/54/84/765395484.db2.gz AUNOKXAWSKKUJI-OAGGEKHMSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001052947418 765402405 /nfs/dbraw/zinc/40/24/05/765402405.db2.gz PFSGJGIVYLPLKK-HUUCEWRRSA-N 1 1 343.855 0.957 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)c1 ZINC001015834223 765402878 /nfs/dbraw/zinc/40/28/78/765402878.db2.gz ICDOYFZLIVCAKI-HOTGVXAUSA-N 1 1 326.400 0.917 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001052947417 765403434 /nfs/dbraw/zinc/40/34/34/765403434.db2.gz PFSGJGIVYLPLKK-GJZGRUSLSA-N 1 1 343.855 0.957 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC001052957292 765411404 /nfs/dbraw/zinc/41/14/04/765411404.db2.gz DVMQGPVRUWZXLA-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(C)nc3C)C2)C1=O ZINC001015868996 765468698 /nfs/dbraw/zinc/46/86/98/765468698.db2.gz FWZSGQBFTVXXJJ-GOEBONIOSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)nc3C)C2)C1=O ZINC001015868996 765468703 /nfs/dbraw/zinc/46/87/03/765468703.db2.gz FWZSGQBFTVXXJJ-GOEBONIOSA-N 1 1 343.431 0.684 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC001053031429 765504539 /nfs/dbraw/zinc/50/45/39/765504539.db2.gz FWYAFCAQAQKWRB-HZPDHXFCSA-N 1 1 342.443 0.978 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001053084814 765561616 /nfs/dbraw/zinc/56/16/16/765561616.db2.gz XCMRIXYGEQPWRT-HOCLYGCPSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001053084814 765561623 /nfs/dbraw/zinc/56/16/23/765561623.db2.gz XCMRIXYGEQPWRT-HOCLYGCPSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2nnn(C)n2)C1 ZINC001053093489 765568467 /nfs/dbraw/zinc/56/84/67/765568467.db2.gz NPVZHUKKMFXOGF-CABCVRRESA-N 1 1 330.436 0.940 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001053093658 765570040 /nfs/dbraw/zinc/57/00/40/765570040.db2.gz PGVQBYZSUDSJNZ-IAGOWNOFSA-N 1 1 346.475 0.145 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1)[C@H]1CCNC1=O ZINC001089150860 765573689 /nfs/dbraw/zinc/57/36/89/765573689.db2.gz PCXQDNBJCFXTEF-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001053100452 765577548 /nfs/dbraw/zinc/57/75/48/765577548.db2.gz HBUKMXDIFMJWCG-GOEBONIOSA-N 1 1 345.443 0.766 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001127237367 765653091 /nfs/dbraw/zinc/65/30/91/765653091.db2.gz FILLEDSJILOAQB-MRXNPFEDSA-N 1 1 347.419 0.171 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001127237367 765653097 /nfs/dbraw/zinc/65/30/97/765653097.db2.gz FILLEDSJILOAQB-MRXNPFEDSA-N 1 1 347.419 0.171 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)[C@@H](O)C1 ZINC001083729556 768311798 /nfs/dbraw/zinc/31/17/98/768311798.db2.gz DDHRGGHDVYVRLH-XQQFMLRXSA-N 1 1 333.354 0.055 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(C)csc3n2)C1 ZINC001077497711 765700946 /nfs/dbraw/zinc/70/09/46/765700946.db2.gz TZAGRTJPOLOVLT-ZIAGYGMSSA-N 1 1 332.429 0.431 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(C)csc3n2)C1 ZINC001077497711 765700954 /nfs/dbraw/zinc/70/09/54/765700954.db2.gz TZAGRTJPOLOVLT-ZIAGYGMSSA-N 1 1 332.429 0.431 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)nc1 ZINC001016021799 765726789 /nfs/dbraw/zinc/72/67/89/765726789.db2.gz ATTKFVFGAKVKBR-AWEZNQCLSA-N 1 1 340.383 0.016 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)nc1 ZINC001016021799 765726791 /nfs/dbraw/zinc/72/67/91/765726791.db2.gz ATTKFVFGAKVKBR-AWEZNQCLSA-N 1 1 340.383 0.016 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H](C)C(N)=O)CC3)c1 ZINC000992173570 765766712 /nfs/dbraw/zinc/76/67/12/765766712.db2.gz GGQNYJNENMPOHL-PNPHSEOMSA-N 1 1 326.400 0.664 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@@H](C)C(N)=O)CC3)c1 ZINC000992173570 765766714 /nfs/dbraw/zinc/76/67/14/765766714.db2.gz GGQNYJNENMPOHL-PNPHSEOMSA-N 1 1 326.400 0.664 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12 ZINC000992172217 765767408 /nfs/dbraw/zinc/76/74/08/765767408.db2.gz OAEMVVYPTXBKMP-BASYENTBSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@H]12 ZINC000992172226 765767690 /nfs/dbraw/zinc/76/76/90/765767690.db2.gz OAEMVVYPTXBKMP-LLDVTBCESA-N 1 1 335.448 0.921 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 ZINC000992175963 765775305 /nfs/dbraw/zinc/77/53/05/765775305.db2.gz VNMOUYJTJWFPJP-VLXAULBPSA-N 1 1 341.839 0.885 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 ZINC000992175963 765775306 /nfs/dbraw/zinc/77/53/06/765775306.db2.gz VNMOUYJTJWFPJP-VLXAULBPSA-N 1 1 341.839 0.885 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cc(OC)ncn1)CCO2 ZINC001053259388 765858362 /nfs/dbraw/zinc/85/83/62/765858362.db2.gz UORASAQNNJKRND-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CCCN1CC2(C1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263776 765866355 /nfs/dbraw/zinc/86/63/55/765866355.db2.gz YKJXZFLRRZPZQL-JKSUJKDBSA-N 1 1 335.448 0.339 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccns2)C1 ZINC000992205161 765889398 /nfs/dbraw/zinc/88/93/98/765889398.db2.gz DFIMAXVHTBHIAY-RUXDESIVSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccns2)C1 ZINC000992205161 765889406 /nfs/dbraw/zinc/88/94/06/765889406.db2.gz DFIMAXVHTBHIAY-RUXDESIVSA-N 1 1 346.456 0.865 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C2)c1 ZINC001016214976 765919023 /nfs/dbraw/zinc/91/90/23/765919023.db2.gz XRRLFLQLTBONBS-HNNXBMFYSA-N 1 1 340.383 0.398 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(C(=O)C#CC2CC2)CC1 ZINC001017738860 768338540 /nfs/dbraw/zinc/33/85/40/768338540.db2.gz YLSRWULYGOWHKL-PBHICJAKSA-N 1 1 329.444 0.872 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)Cn1c[nH+]c3c1CCCC3)CCO2 ZINC001053343137 766005320 /nfs/dbraw/zinc/00/53/20/766005320.db2.gz YPZRLWXHDIZLBM-UHFFFAOYSA-N 1 1 328.416 0.308 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nnnn4CC3)CCC[C@@H]12 ZINC000992254865 766070691 /nfs/dbraw/zinc/07/06/91/766070691.db2.gz ZLRQGZASUAXSFV-IIDMSEBBSA-N 1 1 342.447 0.762 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nnnn4CC3)CCC[C@H]12 ZINC000992254866 766071362 /nfs/dbraw/zinc/07/13/62/766071362.db2.gz ZLRQGZASUAXSFV-RLFYNMQTSA-N 1 1 342.447 0.762 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=O)N(C)C)CC3)nn1 ZINC000992304537 766216015 /nfs/dbraw/zinc/21/60/15/766216015.db2.gz MOGFCPHMQKIJMP-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)N(C)C)CC3)nn1 ZINC000992304537 766216018 /nfs/dbraw/zinc/21/60/18/766216018.db2.gz MOGFCPHMQKIJMP-WMLDXEAASA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)c1cnn(-c3cc[nH+]cc3)c1)CCO2 ZINC001053485173 766218138 /nfs/dbraw/zinc/21/81/38/766218138.db2.gz FBWPZCJMMZJAIC-UHFFFAOYSA-N 1 1 337.383 0.427 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccn(C)c2)C1 ZINC001016392789 766218562 /nfs/dbraw/zinc/21/85/62/766218562.db2.gz FDPNKWGCPSMOFQ-JCYILVPMSA-N 1 1 342.443 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccn(C)c2)C1 ZINC001016392789 766218567 /nfs/dbraw/zinc/21/85/67/766218567.db2.gz FDPNKWGCPSMOFQ-JCYILVPMSA-N 1 1 342.443 0.842 20 30 ECEDMO C#CCN1CC[C@@]2(NC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@H]12 ZINC000992310891 766232663 /nfs/dbraw/zinc/23/26/63/766232663.db2.gz NDXUSNRLKPBXHS-WMZOPIPTSA-N 1 1 329.448 0.805 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCN(C)S3(=O)=O)CCC[C@@H]12 ZINC000992315594 766247032 /nfs/dbraw/zinc/24/70/32/766247032.db2.gz VAASLQQDLNOYEP-IIAWOOMASA-N 1 1 341.477 0.710 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001016414011 766253374 /nfs/dbraw/zinc/25/33/74/766253374.db2.gz FNXIGRZPZPZDJJ-UHFFFAOYSA-N 1 1 340.387 0.811 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)Cn1nc(C)ccc1=O)CCO2 ZINC001053513979 766267254 /nfs/dbraw/zinc/26/72/54/766267254.db2.gz JRVBFCCALSHNBE-UHFFFAOYSA-N 1 1 346.431 0.431 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4cnon4)CCC[C@H]23)C1=O ZINC000992344825 766330887 /nfs/dbraw/zinc/33/08/87/766330887.db2.gz JFDSSWUMWBWDMM-ZQIUZPCESA-N 1 1 345.403 0.583 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992351288 766351088 /nfs/dbraw/zinc/35/10/88/766351088.db2.gz MRPKUMWALNCYDL-KSSFIOAISA-N 1 1 344.415 0.875 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)O2 ZINC001053585210 766375262 /nfs/dbraw/zinc/37/52/62/766375262.db2.gz DOQJGFQHVHAQBH-KGLIPLIRSA-N 1 1 343.855 0.419 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)O2 ZINC001053585210 766375266 /nfs/dbraw/zinc/37/52/66/766375266.db2.gz DOQJGFQHVHAQBH-KGLIPLIRSA-N 1 1 343.855 0.419 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cnon1 ZINC001045797341 766383307 /nfs/dbraw/zinc/38/33/07/766383307.db2.gz BNILEYXNHLRJST-IKGGRYGDSA-N 1 1 343.431 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cnon1 ZINC001045797341 766383318 /nfs/dbraw/zinc/38/33/18/766383318.db2.gz BNILEYXNHLRJST-IKGGRYGDSA-N 1 1 343.431 0.733 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3n(n1)CCC3)O2 ZINC001053608729 766424468 /nfs/dbraw/zinc/42/44/68/766424468.db2.gz JIYIGDHSKRHOGE-HNNXBMFYSA-N 1 1 328.416 0.816 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001016526540 766435955 /nfs/dbraw/zinc/43/59/55/766435955.db2.gz NWXIZDIGDGQFSR-ODIFPOPNSA-N 1 1 340.427 0.734 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251262 766436985 /nfs/dbraw/zinc/43/69/85/766436985.db2.gz UOBBJGWQQUOTHE-ARFHVFGLSA-N 1 1 333.432 0.132 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001016527437 766439082 /nfs/dbraw/zinc/43/90/82/766439082.db2.gz CARGKIRIJQEJNC-IYXRBSQSSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn3c(n1)COCC3)O2 ZINC001053618530 766445558 /nfs/dbraw/zinc/44/55/58/766445558.db2.gz ZWKNUDGBWVWBEC-CQSZACIVSA-N 1 1 344.415 0.400 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C)nc1COC)O2 ZINC001053619231 766448451 /nfs/dbraw/zinc/44/84/51/766448451.db2.gz NRZVHMJEKIMCCN-CQSZACIVSA-N 1 1 346.431 0.553 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001045879693 766461843 /nfs/dbraw/zinc/46/18/43/766461843.db2.gz JAFCNTWEZOLYBX-KGLIPLIRSA-N 1 1 342.399 0.258 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001045879693 766461849 /nfs/dbraw/zinc/46/18/49/766461849.db2.gz JAFCNTWEZOLYBX-KGLIPLIRSA-N 1 1 342.399 0.258 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@@H]12 ZINC000992396629 766473033 /nfs/dbraw/zinc/47/30/33/766473033.db2.gz MZCOLKAKXANSMK-DIFFPNOSSA-N 1 1 346.387 0.647 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3n(n1)CCCO3)O2 ZINC001053630460 766478171 /nfs/dbraw/zinc/47/81/71/766478171.db2.gz JJURISHMKSGANB-CQSZACIVSA-N 1 1 344.415 0.652 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC000992409402 766509194 /nfs/dbraw/zinc/50/91/94/766509194.db2.gz VHZBDCGRIYXDRL-DZGCQCFKSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001045947426 766518683 /nfs/dbraw/zinc/51/86/83/766518683.db2.gz FIPUQCZZYZPPTE-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001045947426 766518685 /nfs/dbraw/zinc/51/86/85/766518685.db2.gz FIPUQCZZYZPPTE-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCCC(=O)N1)O2 ZINC001053662699 766536106 /nfs/dbraw/zinc/53/61/06/766536106.db2.gz TYYAIEVEDZPFML-LSDHHAIUSA-N 1 1 333.432 0.418 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)nc1 ZINC000992423581 766540989 /nfs/dbraw/zinc/54/09/89/766540989.db2.gz QVWOFLMYRWNWQA-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cn(C4CCOCC4)nn3)CCC[C@H]12 ZINC000992424135 766541541 /nfs/dbraw/zinc/54/15/41/766541541.db2.gz GZRGBLDSGODIPX-WMZOPIPTSA-N 1 1 343.431 0.990 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cn(C4CCOCC4)nn3)CCC[C@H]12 ZINC000992424120 766541666 /nfs/dbraw/zinc/54/16/66/766541666.db2.gz GZRGBLDSGODIPX-FUHWJXTLSA-N 1 1 343.431 0.990 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001045973134 766541845 /nfs/dbraw/zinc/54/18/45/766541845.db2.gz GXJXFBNQXYWIAI-SFHVURJKSA-N 1 1 333.432 0.930 20 30 ECEDMO N#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001045974749 766545618 /nfs/dbraw/zinc/54/56/18/766545618.db2.gz KSJWLHQVSSFUKJ-SFHVURJKSA-N 1 1 334.464 0.937 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccc(=O)n(C)n1)C2 ZINC001045983749 766554853 /nfs/dbraw/zinc/55/48/53/766554853.db2.gz QTOBLFWQOYXEOJ-SFHVURJKSA-N 1 1 328.416 0.732 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001045984025 766556306 /nfs/dbraw/zinc/55/63/06/766556306.db2.gz VMLBXKGTXZPZAE-GOSISDBHSA-N 1 1 345.447 0.228 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cn(C)c(=O)n1C)C2 ZINC001045985750 766557168 /nfs/dbraw/zinc/55/71/68/766557168.db2.gz BKUIMCJEYHDBDB-SFHVURJKSA-N 1 1 330.432 0.675 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cn([C@H]4CCOC4)nn3)CCC[C@H]12 ZINC000992434499 766558939 /nfs/dbraw/zinc/55/89/39/766558939.db2.gz UDOGLMGYOHSBEO-JLJPHGGASA-N 1 1 329.404 0.600 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC3(C[NH+](CCCO)C3)O2)nn1 ZINC001053677190 766560402 /nfs/dbraw/zinc/56/04/02/766560402.db2.gz SYFMFUCFGUWCRD-AWEZNQCLSA-N 1 1 349.435 0.200 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001045988095 766560709 /nfs/dbraw/zinc/56/07/09/766560709.db2.gz IMJLQFGPZCFPIM-HNAYVOBHSA-N 1 1 345.443 0.767 20 30 ECEDMO COCC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC001045989301 766564350 /nfs/dbraw/zinc/56/43/50/766564350.db2.gz HILJORYAOYWRAD-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cn([C@@H]4CCOC4)nn3)CCC[C@H]12 ZINC000992437935 766571185 /nfs/dbraw/zinc/57/11/85/766571185.db2.gz YGWGGNWPISTDPA-UWWQBHOKSA-N 1 1 343.431 0.990 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(C)nnc3C)C2)C1=O ZINC001031699823 766598615 /nfs/dbraw/zinc/59/86/15/766598615.db2.gz YDTSXGRGLOOEIN-MRXNPFEDSA-N 1 1 343.431 0.542 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1OC ZINC001212257565 766598940 /nfs/dbraw/zinc/59/89/40/766598940.db2.gz FGBAABVJXZLPPM-BFHYXJOUSA-N 1 1 337.445 0.805 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1OC ZINC001212257565 766598946 /nfs/dbraw/zinc/59/89/46/766598946.db2.gz FGBAABVJXZLPPM-BFHYXJOUSA-N 1 1 337.445 0.805 20 30 ECEDMO C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)O2 ZINC001053700415 766619487 /nfs/dbraw/zinc/61/94/87/766619487.db2.gz UHCAPACFQUUKMS-JKSUJKDBSA-N 1 1 337.464 0.633 20 30 ECEDMO C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700415 766619493 /nfs/dbraw/zinc/61/94/93/766619493.db2.gz UHCAPACFQUUKMS-JKSUJKDBSA-N 1 1 337.464 0.633 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12 ZINC000992459727 766625516 /nfs/dbraw/zinc/62/55/16/766625516.db2.gz ARHSWGKASPWTHN-CXAGYDPISA-N 1 1 332.404 0.017 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)nn3C)CC2)C1 ZINC001046012169 766638071 /nfs/dbraw/zinc/63/80/71/766638071.db2.gz MNBKSILZGUTBHO-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO Cc1nccnc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011956 766638368 /nfs/dbraw/zinc/63/83/68/766638368.db2.gz JJPRJRULRFWMII-GOEBONIOSA-N 1 1 342.447 0.663 20 30 ECEDMO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)nn1C ZINC001046013463 766642685 /nfs/dbraw/zinc/64/26/85/766642685.db2.gz YWXKCEBULMHHKI-PBHICJAKSA-N 1 1 344.463 0.607 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)nn1C ZINC001046013463 766642689 /nfs/dbraw/zinc/64/26/89/766642689.db2.gz YWXKCEBULMHHKI-PBHICJAKSA-N 1 1 344.463 0.607 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3nnc[nH]3)CC2)C1 ZINC001046017792 766655284 /nfs/dbraw/zinc/65/52/84/766655284.db2.gz QUCBUBQPQRHZAC-OAHLLOKOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001046017792 766655291 /nfs/dbraw/zinc/65/52/91/766655291.db2.gz QUCBUBQPQRHZAC-OAHLLOKOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001046017792 766655295 /nfs/dbraw/zinc/65/52/95/766655295.db2.gz QUCBUBQPQRHZAC-OAHLLOKOSA-N 1 1 332.452 0.532 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 ZINC001046022636 766669839 /nfs/dbraw/zinc/66/98/39/766669839.db2.gz VAJVRGCHIDWPEX-JKSUJKDBSA-N 1 1 330.436 0.081 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 ZINC001046022669 766670306 /nfs/dbraw/zinc/67/03/06/766670306.db2.gz VOHCTOZXTRGRFM-CVEARBPZSA-N 1 1 330.436 0.081 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 ZINC001046026077 766681030 /nfs/dbraw/zinc/68/10/30/766681030.db2.gz CDKAZXQWSMJQCD-IRXDYDNUSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nn(C)cc3C)CC2)C1 ZINC001046026630 766684201 /nfs/dbraw/zinc/68/42/01/766684201.db2.gz CZVBJQACNWCEGV-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccnn3C)CC2)C1 ZINC001046026775 766684232 /nfs/dbraw/zinc/68/42/32/766684232.db2.gz HOTWHFJCOBGQAR-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc(C)[nH]3)CC2)C1 ZINC001046028420 766691688 /nfs/dbraw/zinc/69/16/88/766691688.db2.gz BQIYHTCMFFFCSW-MRXNPFEDSA-N 1 1 346.479 0.840 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccncc2)C1 ZINC001016667673 766694291 /nfs/dbraw/zinc/69/42/91/766694291.db2.gz FTTGSVGXJAUNOC-JCYILVPMSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccncc2)C1 ZINC001016667673 766694295 /nfs/dbraw/zinc/69/42/95/766694295.db2.gz FTTGSVGXJAUNOC-JCYILVPMSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccsn2)C1 ZINC001016670336 766699048 /nfs/dbraw/zinc/69/90/48/766699048.db2.gz KXQFZIHVDPNTKB-PIMMBPRGSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccsn2)C1 ZINC001016670336 766699052 /nfs/dbraw/zinc/69/90/52/766699052.db2.gz KXQFZIHVDPNTKB-PIMMBPRGSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(F)cc2)C1 ZINC000994752009 766699979 /nfs/dbraw/zinc/69/99/79/766699979.db2.gz OZGJVSDPQXOHRR-INIZCTEOSA-N 1 1 329.375 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(F)cc2)C1 ZINC000994752009 766699981 /nfs/dbraw/zinc/69/99/81/766699981.db2.gz OZGJVSDPQXOHRR-INIZCTEOSA-N 1 1 329.375 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CCN(Cc1cnon1)CC2 ZINC001016671809 766702626 /nfs/dbraw/zinc/70/26/26/766702626.db2.gz ZRGDMPMDRIONKT-JKSUJKDBSA-N 1 1 343.431 0.638 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CCN(Cc1cnon1)CC2 ZINC001016671809 766702632 /nfs/dbraw/zinc/70/26/32/766702632.db2.gz ZRGDMPMDRIONKT-JKSUJKDBSA-N 1 1 343.431 0.638 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccnn3C)CC2)C1 ZINC001046033214 766708816 /nfs/dbraw/zinc/70/88/16/766708816.db2.gz AZUQSRKGDGHEBT-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033540 766710034 /nfs/dbraw/zinc/71/00/34/766710034.db2.gz HEWFPKQDYNELHW-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2ccc(C)o2)C1 ZINC000994753464 766711473 /nfs/dbraw/zinc/71/14/73/766711473.db2.gz GKLBXDPYODGDMU-KRWDZBQOSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2ccc(C)o2)C1 ZINC000994753464 766711480 /nfs/dbraw/zinc/71/14/80/766711480.db2.gz GKLBXDPYODGDMU-KRWDZBQOSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccn2CC)C1 ZINC000994756155 766724131 /nfs/dbraw/zinc/72/41/31/766724131.db2.gz UMJCKWBYKUPULH-HNNXBMFYSA-N 1 1 328.416 0.546 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccn2CC)C1 ZINC000994756155 766724141 /nfs/dbraw/zinc/72/41/41/766724141.db2.gz UMJCKWBYKUPULH-HNNXBMFYSA-N 1 1 328.416 0.546 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc4cccn4cn3)CC2)C1 ZINC001046037833 766736976 /nfs/dbraw/zinc/73/69/76/766736976.db2.gz AEJQHNRNIFXTNJ-QGZVFWFLSA-N 1 1 337.427 0.800 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001041998823 782576074 /nfs/dbraw/zinc/57/60/74/782576074.db2.gz CNGTYIXCZIMTLK-HIFRSBDPSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC001046039048 766741132 /nfs/dbraw/zinc/74/11/32/766741132.db2.gz MYBZCVKKRVXBMF-KRWDZBQOSA-N 1 1 342.443 0.241 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1OC ZINC001212264256 766741363 /nfs/dbraw/zinc/74/13/63/766741363.db2.gz FESJXRNFJQJZGL-CGTJXYLNSA-N 1 1 346.427 0.919 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1OC ZINC001212264256 766741368 /nfs/dbraw/zinc/74/13/68/766741368.db2.gz FESJXRNFJQJZGL-CGTJXYLNSA-N 1 1 346.427 0.919 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC001046039285 766742056 /nfs/dbraw/zinc/74/20/56/766742056.db2.gz OXQRAKMSFWLRCK-AWEZNQCLSA-N 1 1 329.404 0.038 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3CC)CC2)C1 ZINC001046040501 766747990 /nfs/dbraw/zinc/74/79/90/766747990.db2.gz CWILWXFEPAEZLR-MRXNPFEDSA-N 1 1 343.475 0.838 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046040558 766748059 /nfs/dbraw/zinc/74/80/59/766748059.db2.gz FAFSKTDXCXPBGO-IRXDYDNUSA-N 1 1 348.491 0.697 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)C1 ZINC001046041012 766749598 /nfs/dbraw/zinc/74/95/98/766749598.db2.gz NEGATEYPUSVABP-FUHWJXTLSA-N 1 1 343.475 0.850 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3snnc3CC)CC2)C1 ZINC001046041680 766753802 /nfs/dbraw/zinc/75/38/02/766753802.db2.gz MMXZMICYIVVDMF-ZDUSSCGKSA-N 1 1 333.461 0.566 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc(OC)c3)CC2)C1 ZINC001046042999 766759745 /nfs/dbraw/zinc/75/97/45/766759745.db2.gz QZKHRNDVFBGWSW-INIZCTEOSA-N 1 1 328.416 0.556 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC001046043661 766762522 /nfs/dbraw/zinc/76/25/22/766762522.db2.gz COKISBYZJZDFOA-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn(CCOC)n3)CC2)C1 ZINC001046043985 766765093 /nfs/dbraw/zinc/76/50/93/766765093.db2.gz GQSQSMJZDSZALQ-INIZCTEOSA-N 1 1 347.463 0.548 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001046044738 766767847 /nfs/dbraw/zinc/76/78/47/766767847.db2.gz QCLHAMUOBZVHBP-AWEZNQCLSA-N 1 1 346.431 0.787 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001046047415 766777303 /nfs/dbraw/zinc/77/73/03/766777303.db2.gz OWFSMPGOCHEISX-IAGOWNOFSA-N 1 1 348.491 0.697 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001046048672 766781965 /nfs/dbraw/zinc/78/19/65/766781965.db2.gz BVVUMTXBYJBTHS-LSDHHAIUSA-N 1 1 336.480 0.681 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046050054 766786429 /nfs/dbraw/zinc/78/64/29/766786429.db2.gz CZBQWXPISOSLQR-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccn2nnnc12 ZINC001089643749 766796398 /nfs/dbraw/zinc/79/63/98/766796398.db2.gz AYDRJIDKAKLIIF-CYBMUJFWSA-N 1 1 326.404 0.978 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)CC2)C1 ZINC001046054438 766800252 /nfs/dbraw/zinc/80/02/52/766800252.db2.gz NIEKQYXKPIRGEN-HUUCEWRRSA-N 1 1 344.463 0.629 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccnc3OC)CC2)C1 ZINC001046056768 766811400 /nfs/dbraw/zinc/81/14/00/766811400.db2.gz IRFGTQPKYMPRHU-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC3=CCOCC3)CC2)C1 ZINC001046057540 766815492 /nfs/dbraw/zinc/81/54/92/766815492.db2.gz POTQCAIFRNVQRQ-GOSISDBHSA-N 1 1 331.460 0.965 20 30 ECEDMO C=C1CCC(C(=O)N2CCN([C@H]3CC[N@H+]([C@@H](C)C(N)=O)C3)CC2)CC1 ZINC001046058120 766816567 /nfs/dbraw/zinc/81/65/67/766816567.db2.gz COCGRBCIOLGEAH-RDJZCZTQSA-N 1 1 348.491 0.825 20 30 ECEDMO C=C1CCC(C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)CC1 ZINC001046058437 766819001 /nfs/dbraw/zinc/81/90/01/766819001.db2.gz JZMKUNZVSWRXTK-INIZCTEOSA-N 1 1 334.464 0.437 20 30 ECEDMO C=C1CCC(C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)CC1 ZINC001046058437 766819009 /nfs/dbraw/zinc/81/90/09/766819009.db2.gz JZMKUNZVSWRXTK-INIZCTEOSA-N 1 1 334.464 0.437 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@H]3CC[N@H+](CC(=O)N(C)C)C3)CC2)C1 ZINC001046059424 766823191 /nfs/dbraw/zinc/82/31/91/766823191.db2.gz GWKVQLYFKUNTFG-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCCS2(=O)=O)CC1 ZINC001016745485 766835284 /nfs/dbraw/zinc/83/52/84/766835284.db2.gz OLVFLBZNPGEMRN-HUUCEWRRSA-N 1 1 338.473 0.948 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC001046064263 766842048 /nfs/dbraw/zinc/84/20/48/766842048.db2.gz JGTAZHYSTHUWRU-CQSZACIVSA-N 1 1 345.447 0.522 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)C1 ZINC001046067272 766857548 /nfs/dbraw/zinc/85/75/48/766857548.db2.gz WHPBMINOARSDFZ-INIZCTEOSA-N 1 1 342.443 0.951 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)C1 ZINC001046069244 766868155 /nfs/dbraw/zinc/86/81/55/766868155.db2.gz DYCYJQKCUXRVCX-CYBMUJFWSA-N 1 1 346.456 0.312 20 30 ECEDMO CCN(c1nc(C)cc(C#N)n1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089650741 766872616 /nfs/dbraw/zinc/87/26/16/766872616.db2.gz SDPYCMZEIHQOAV-KGLIPLIRSA-N 1 1 330.436 0.939 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CCC=C)nn3)CC2)C1 ZINC001046070386 766873270 /nfs/dbraw/zinc/87/32/70/766873270.db2.gz UMPJRBZAUGBVOY-INIZCTEOSA-N 1 1 342.447 0.320 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C(C)C)nn3)CC2)C1 ZINC001046075202 766894474 /nfs/dbraw/zinc/89/44/74/766894474.db2.gz PJRLMZMPLKDFTC-OAHLLOKOSA-N 1 1 330.436 0.324 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC001046075669 766898254 /nfs/dbraw/zinc/89/82/54/766898254.db2.gz WPBQYFNEKGAVKB-GOSISDBHSA-N 1 1 341.459 0.651 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H](C)N3CCCC3=O)CC2)C1 ZINC001046076266 766902796 /nfs/dbraw/zinc/90/27/96/766902796.db2.gz LGNYQAHKDPTARH-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H](C)N3CCCC3=O)CC2)C1 ZINC001046076262 766902950 /nfs/dbraw/zinc/90/29/50/766902950.db2.gz LGNYQAHKDPTARH-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC001046077125 766906577 /nfs/dbraw/zinc/90/65/77/766906577.db2.gz KIFYRNUXTWANHX-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(N(C)C)nn3)CC2)C1 ZINC001046077542 766907971 /nfs/dbraw/zinc/90/79/71/766907971.db2.gz XQXWPTHEAVUFQC-HNNXBMFYSA-N 1 1 342.447 0.008 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncccc3OC)CC2)C1 ZINC001046080291 766916399 /nfs/dbraw/zinc/91/63/99/766916399.db2.gz MFPKHKSIEYEEEE-HNNXBMFYSA-N 1 1 328.416 0.556 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC001046080448 766916762 /nfs/dbraw/zinc/91/67/62/766916762.db2.gz HDESVCJPTZYZBX-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC001046082964 766922102 /nfs/dbraw/zinc/92/21/02/766922102.db2.gz YZWKIQHBUPRXKS-QGZVFWFLSA-N 1 1 342.443 0.090 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccnc3OCC)CC2)C1 ZINC001046083165 766922864 /nfs/dbraw/zinc/92/28/64/766922864.db2.gz LOJCZGXXLADCFC-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC001046084137 766923990 /nfs/dbraw/zinc/92/39/90/766923990.db2.gz KPTRHTXHUUJLLF-AWEZNQCLSA-N 1 1 331.420 0.132 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)C1)CO2 ZINC001053822840 766941731 /nfs/dbraw/zinc/94/17/31/766941731.db2.gz XCKQLIJSYTXLIP-HUUCEWRRSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(C)nc1OC)CO2 ZINC001053823649 766944272 /nfs/dbraw/zinc/94/42/72/766944272.db2.gz PPCHSQNPIDCYID-ZDUSSCGKSA-N 1 1 332.404 0.943 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(OCCOC)c2)[C@H](OC)C1 ZINC001212270687 766980922 /nfs/dbraw/zinc/98/09/22/766980922.db2.gz XROJKZHXOOAYLH-HZPDHXFCSA-N 1 1 347.415 0.559 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OCCOC)c2)[C@H](OC)C1 ZINC001212270687 766980929 /nfs/dbraw/zinc/98/09/29/766980929.db2.gz XROJKZHXOOAYLH-HZPDHXFCSA-N 1 1 347.415 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ncnn2CCC)C1 ZINC001031740826 766986331 /nfs/dbraw/zinc/98/63/31/766986331.db2.gz KWNNWYVFVPCFFS-INIZCTEOSA-N 1 1 344.463 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ncnn2CCC)C1 ZINC001031740826 766986337 /nfs/dbraw/zinc/98/63/37/766986337.db2.gz KWNNWYVFVPCFFS-INIZCTEOSA-N 1 1 344.463 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(OC)ccn2)C1 ZINC001031741224 766987790 /nfs/dbraw/zinc/98/77/90/766987790.db2.gz SSRMZJQUQVITDD-SFHVURJKSA-N 1 1 342.443 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(OC)ccn2)C1 ZINC001031741224 766987797 /nfs/dbraw/zinc/98/77/97/766987797.db2.gz SSRMZJQUQVITDD-SFHVURJKSA-N 1 1 342.443 0.736 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]2O)c1 ZINC001083765328 766996199 /nfs/dbraw/zinc/99/61/99/766996199.db2.gz YWFCNHSLBBMKBX-JQHSSLGASA-N 1 1 343.427 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nccnc2C)C1 ZINC001031742937 767005666 /nfs/dbraw/zinc/00/56/66/767005666.db2.gz XOEQYSPPSRUOIF-KRWDZBQOSA-N 1 1 327.432 0.431 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nccnc2C)C1 ZINC001031742937 767005676 /nfs/dbraw/zinc/00/56/76/767005676.db2.gz XOEQYSPPSRUOIF-KRWDZBQOSA-N 1 1 327.432 0.431 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCn3cncc3C1)CO2 ZINC001053850960 767017696 /nfs/dbraw/zinc/01/76/96/767017696.db2.gz HLKCIBAFGARVAN-GJZGRUSLSA-N 1 1 330.432 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001046202824 767056215 /nfs/dbraw/zinc/05/62/15/767056215.db2.gz MSGACIUKKRIIMS-CRAIPNDOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001046202824 767056224 /nfs/dbraw/zinc/05/62/24/767056224.db2.gz MSGACIUKKRIIMS-CRAIPNDOSA-N 1 1 345.447 0.710 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046223032 767091305 /nfs/dbraw/zinc/09/13/05/767091305.db2.gz GEYCCKIQOTZSRO-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046223032 767091313 /nfs/dbraw/zinc/09/13/13/767091313.db2.gz GEYCCKIQOTZSRO-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC3(C[C@H]3NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001016883466 767093579 /nfs/dbraw/zinc/09/35/79/767093579.db2.gz CEPKAIMUNBLCIZ-QWHCGFSZSA-N 1 1 344.419 0.176 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC3(C[C@H]3NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001016883466 767093589 /nfs/dbraw/zinc/09/35/89/767093589.db2.gz CEPKAIMUNBLCIZ-QWHCGFSZSA-N 1 1 344.419 0.176 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2nccs2)C1 ZINC000938756438 767107118 /nfs/dbraw/zinc/10/71/18/767107118.db2.gz PJHSDPFJZBXQIE-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2nccs2)C1 ZINC000938756438 767107119 /nfs/dbraw/zinc/10/71/19/767107119.db2.gz PJHSDPFJZBXQIE-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000938826079 767124340 /nfs/dbraw/zinc/12/43/40/767124340.db2.gz AWHCZWHBNLFQJI-IKGGRYGDSA-N 1 1 346.475 0.143 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cn(CC)nn1)CO2 ZINC001053878638 767127189 /nfs/dbraw/zinc/12/71/89/767127189.db2.gz JQZZELRQDMMKLD-OAHLLOKOSA-N 1 1 333.436 0.766 20 30 ECEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001089736011 767137246 /nfs/dbraw/zinc/13/72/46/767137246.db2.gz SNEDSGXWKSWJQT-UONOGXRCSA-N 1 1 343.493 0.861 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3onc(C)c3C)C2)C1=O ZINC001031756353 767159214 /nfs/dbraw/zinc/15/92/14/767159214.db2.gz AYVDVHXWMXYOQI-CQSZACIVSA-N 1 1 332.404 0.740 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](OCC)C2CC2)[C@H](OC)C1 ZINC001212290073 767164815 /nfs/dbraw/zinc/16/48/15/767164815.db2.gz SVJAHUIXGHFYFQ-BZUAXINKSA-N 1 1 326.437 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001046399481 767195944 /nfs/dbraw/zinc/19/59/44/767195944.db2.gz HSSJYIVSJVFPEC-PXAZEXFGSA-N 1 1 347.419 0.405 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046424234 767210954 /nfs/dbraw/zinc/21/09/54/767210954.db2.gz ANZPMSOCNHWDBB-CQSZACIVSA-N 1 1 327.406 0.697 20 30 ECEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046425719 767212053 /nfs/dbraw/zinc/21/20/53/767212053.db2.gz KYWWHBCRALEPEU-AWEZNQCLSA-N 1 1 327.406 0.697 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CN=NC1=O ZINC001089795221 767220106 /nfs/dbraw/zinc/22/01/06/767220106.db2.gz LJJCOCUPWCRCLC-XGUBFFRZSA-N 1 1 329.404 0.176 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cncn3C)C2)C1=O ZINC001046454418 767237032 /nfs/dbraw/zinc/23/70/32/767237032.db2.gz IQUXLNZOJKUFCX-GUYCJALGSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cncn3C)C2)C1=O ZINC001046454418 767237033 /nfs/dbraw/zinc/23/70/33/767237033.db2.gz IQUXLNZOJKUFCX-GUYCJALGSA-N 1 1 331.420 0.401 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046538131 767288838 /nfs/dbraw/zinc/28/88/38/767288838.db2.gz GEQQVRFAYZZKSE-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046538131 767288839 /nfs/dbraw/zinc/28/88/39/767288839.db2.gz GEQQVRFAYZZKSE-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C=C(C)CN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053903902 767309013 /nfs/dbraw/zinc/30/90/13/767309013.db2.gz ALPBWLDJICSAPL-HOTGVXAUSA-N 1 1 337.464 0.631 20 30 ECEDMO C=C(C)CN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053903902 767309021 /nfs/dbraw/zinc/30/90/21/767309021.db2.gz ALPBWLDJICSAPL-HOTGVXAUSA-N 1 1 337.464 0.631 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC000994970181 767312451 /nfs/dbraw/zinc/31/24/51/767312451.db2.gz CEJYUURIILFUIT-ZIAGYGMSSA-N 1 1 343.435 0.886 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089820955 767319888 /nfs/dbraw/zinc/31/98/88/767319888.db2.gz PYFMDRHDIDYAGY-YVSFHVDLSA-N 1 1 347.459 0.590 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001046576353 767321134 /nfs/dbraw/zinc/32/11/34/767321134.db2.gz JJYFYJCANGALAO-XPCVCDNBSA-N 1 1 328.420 0.853 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1COC3(CN(CC#N)C3)C1)CC2 ZINC001053908580 767330822 /nfs/dbraw/zinc/33/08/22/767330822.db2.gz WHRIZYMLJCZPDP-KBPBESRZSA-N 1 1 329.404 0.237 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2n(n1)CCO2 ZINC001089821749 767331576 /nfs/dbraw/zinc/33/15/76/767331576.db2.gz YBRSBPPXLDYFBB-AYDFFVQHSA-N 1 1 326.400 0.691 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC001089826797 767341022 /nfs/dbraw/zinc/34/10/22/767341022.db2.gz LDQKOIGXJRIVHM-JJXSEGSLSA-N 1 1 345.447 0.327 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001106147822 767353383 /nfs/dbraw/zinc/35/33/83/767353383.db2.gz YMIQRMPPUQUWFW-KBPBESRZSA-N 1 1 332.408 0.112 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001046605032 767356709 /nfs/dbraw/zinc/35/67/09/767356709.db2.gz PAAJPXLLVHOCHW-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001046605032 767356715 /nfs/dbraw/zinc/35/67/15/767356715.db2.gz PAAJPXLLVHOCHW-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCCC(=O)N1)CO2 ZINC001053921141 767362746 /nfs/dbraw/zinc/36/27/46/767362746.db2.gz BDSFJDBUENZVDU-GJZGRUSLSA-N 1 1 335.448 0.971 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106147405 767370066 /nfs/dbraw/zinc/37/00/66/767370066.db2.gz NTCWLAZWVYQHRE-HOTGVXAUSA-N 1 1 331.420 0.717 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001106147501 767372316 /nfs/dbraw/zinc/37/23/16/767372316.db2.gz PSAUZGPVFKTUEQ-ZIAGYGMSSA-N 1 1 332.408 0.112 20 30 ECEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001046618296 767373082 /nfs/dbraw/zinc/37/30/82/767373082.db2.gz DXAJLKXKTUCIAO-HDMKZQKVSA-N 1 1 335.448 0.923 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046629344 767398428 /nfs/dbraw/zinc/39/84/28/767398428.db2.gz XMIQTZPWCATURE-GLJUWKHASA-N 1 1 344.390 0.899 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046629344 767398436 /nfs/dbraw/zinc/39/84/36/767398436.db2.gz XMIQTZPWCATURE-GLJUWKHASA-N 1 1 344.390 0.899 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001046630994 767401867 /nfs/dbraw/zinc/40/18/67/767401867.db2.gz BJHLEJVWTRYJOR-VKJFTORMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001046630994 767401870 /nfs/dbraw/zinc/40/18/70/767401870.db2.gz BJHLEJVWTRYJOR-VKJFTORMSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccnc(OC)n2)C1 ZINC001089836920 767432396 /nfs/dbraw/zinc/43/23/96/767432396.db2.gz WEXZQUXBLHTSKI-YXWQFLTLSA-N 1 1 326.400 0.901 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001046664290 767436337 /nfs/dbraw/zinc/43/63/37/767436337.db2.gz HDPWUWVPQJHHCJ-CQSZACIVSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CCN(CC(=O)NC)CC3)CC1 ZINC001016984617 767439005 /nfs/dbraw/zinc/43/90/05/767439005.db2.gz GGLBUCOOMBTVQE-INIZCTEOSA-N 1 1 346.475 0.048 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001106165397 767465594 /nfs/dbraw/zinc/46/55/94/767465594.db2.gz LTSALKUCCQJRQI-ZIAGYGMSSA-N 1 1 346.435 0.284 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001046681542 767471579 /nfs/dbraw/zinc/47/15/79/767471579.db2.gz ONKZXDAEQTVBEQ-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001046681542 767471583 /nfs/dbraw/zinc/47/15/83/767471583.db2.gz ONKZXDAEQTVBEQ-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001046684830 767479017 /nfs/dbraw/zinc/47/90/17/767479017.db2.gz MJFUHGIOAJBIIH-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046692745 767495245 /nfs/dbraw/zinc/49/52/45/767495245.db2.gz YRGKVOCWCJMUOT-KBPBESRZSA-N 1 1 337.464 0.476 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC[C@H]1CC)CO2 ZINC001053974140 767502155 /nfs/dbraw/zinc/50/21/55/767502155.db2.gz HWNUXDBORYMFEW-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)CN1C(=O)CCC1=O)CO2 ZINC001054004563 767571952 /nfs/dbraw/zinc/57/19/52/767571952.db2.gz QCSHJODBTWSXLR-ZDUSSCGKSA-N 1 1 335.404 0.061 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1CCNC1=O ZINC001017091510 767574638 /nfs/dbraw/zinc/57/46/38/767574638.db2.gz DTADQKHDLAHQKT-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nncn3C1)CO2 ZINC001054017360 767608812 /nfs/dbraw/zinc/60/88/12/767608812.db2.gz XSGSNEFMODMCFP-KGLIPLIRSA-N 1 1 331.420 0.376 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001046768758 767617011 /nfs/dbraw/zinc/61/70/11/767617011.db2.gz FLXYKIHCHQBYRQ-INIZCTEOSA-N 1 1 330.392 0.578 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(N)=O)nc1)CO2 ZINC001054023759 767621211 /nfs/dbraw/zinc/62/12/11/767621211.db2.gz GSLXBJVZOLRRKM-AWEZNQCLSA-N 1 1 344.415 0.720 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001054039443 767637970 /nfs/dbraw/zinc/63/79/70/767637970.db2.gz BCIVMYSYHTZFQG-HOTGVXAUSA-N 1 1 327.384 0.661 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001054039443 767637976 /nfs/dbraw/zinc/63/79/76/767637976.db2.gz BCIVMYSYHTZFQG-HOTGVXAUSA-N 1 1 327.384 0.661 20 30 ECEDMO C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001054050658 767650075 /nfs/dbraw/zinc/65/00/75/767650075.db2.gz IQOUFYKCCUXWAU-OAHLLOKOSA-N 1 1 326.404 0.943 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)COC)C3)C1=O ZINC001054063118 767660439 /nfs/dbraw/zinc/66/04/39/767660439.db2.gz SXIASWVLZRBYFF-CRAIPNDOSA-N 1 1 335.448 0.734 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC001060476341 767686191 /nfs/dbraw/zinc/68/61/91/767686191.db2.gz DFMVMTSUWCXIOE-PJGLDBICSA-N 1 1 325.416 0.702 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC001060476342 767686376 /nfs/dbraw/zinc/68/63/76/767686376.db2.gz DFMVMTSUWCXIOE-XJBGLIRHSA-N 1 1 325.416 0.702 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001060476528 767690623 /nfs/dbraw/zinc/69/06/23/767690623.db2.gz XSWVRXSZQDDWNX-QVDCYYDOSA-N 1 1 325.416 0.702 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001054118631 767705814 /nfs/dbraw/zinc/70/58/14/767705814.db2.gz MCMYFZBGWVSDDK-GOSISDBHSA-N 1 1 343.431 0.903 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)c1 ZINC001017209266 767724311 /nfs/dbraw/zinc/72/43/11/767724311.db2.gz ZTDMRLLQPKJGKI-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC3N=NC(=O)N3C1)C2 ZINC001054155650 767751328 /nfs/dbraw/zinc/75/13/28/767751328.db2.gz WIKXALXCSBEKMS-KDOFPFPSSA-N 1 1 343.431 0.494 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C(N)=O)C3)s1 ZINC001054188960 767789999 /nfs/dbraw/zinc/78/99/99/767789999.db2.gz XSVQYHFWLJXBDP-INIZCTEOSA-N 1 1 332.429 0.920 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)CC1 ZINC000992927800 767800740 /nfs/dbraw/zinc/80/07/40/767800740.db2.gz VSTTZSATAYAHIT-YESZJQIVSA-N 1 1 346.475 0.034 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001054234402 767843342 /nfs/dbraw/zinc/84/33/42/767843342.db2.gz CTKPUFJKXDMNSL-AEFFLSMTSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(=O)Nc1cc(C)on1)C2 ZINC001054238721 767848757 /nfs/dbraw/zinc/84/87/57/767848757.db2.gz CYNIRRKALJCCSC-KRWDZBQOSA-N 1 1 330.388 0.869 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106539022 768419084 /nfs/dbraw/zinc/41/90/84/768419084.db2.gz DELFVWNWNDAGAS-DZGCQCFKSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106539022 768419081 /nfs/dbraw/zinc/41/90/81/768419081.db2.gz DELFVWNWNDAGAS-DZGCQCFKSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccnc(C#N)n2)C1 ZINC001106540106 768419945 /nfs/dbraw/zinc/41/99/45/768419945.db2.gz WQMOJTGZWALHBD-ZIAGYGMSSA-N 1 1 346.435 0.186 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccnc(C#N)n2)C1 ZINC001106540106 768419947 /nfs/dbraw/zinc/41/99/47/768419947.db2.gz WQMOJTGZWALHBD-ZIAGYGMSSA-N 1 1 346.435 0.186 20 30 ECEDMO C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106642533 768546080 /nfs/dbraw/zinc/54/60/80/768546080.db2.gz OPYLIUDXGISERK-OUCADQQQSA-N 1 1 332.408 0.374 20 30 ECEDMO C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106642533 768546083 /nfs/dbraw/zinc/54/60/83/768546083.db2.gz OPYLIUDXGISERK-OUCADQQQSA-N 1 1 332.408 0.374 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001017977777 768574726 /nfs/dbraw/zinc/57/47/26/768574726.db2.gz HOKNKBCENQTXPZ-KFWWJZLASA-N 1 1 330.436 0.877 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C ZINC001106678562 768589387 /nfs/dbraw/zinc/58/93/87/768589387.db2.gz SZRRGUMPQGXDMU-MGPQQGTHSA-N 1 1 348.451 0.112 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1C ZINC001106678562 768589391 /nfs/dbraw/zinc/58/93/91/768589391.db2.gz SZRRGUMPQGXDMU-MGPQQGTHSA-N 1 1 348.451 0.112 20 30 ECEDMO C=C(Br)CN1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038137703 783905089 /nfs/dbraw/zinc/90/50/89/783905089.db2.gz QPPKUXQJFIZBOQ-RYUDHWBXSA-N 1 1 332.242 0.416 20 30 ECEDMO C=C(Br)CN1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038137703 783905096 /nfs/dbraw/zinc/90/50/96/783905096.db2.gz QPPKUXQJFIZBOQ-RYUDHWBXSA-N 1 1 332.242 0.416 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)C1 ZINC001055197136 768658055 /nfs/dbraw/zinc/65/80/55/768658055.db2.gz QVYAYPOTNXNROV-OJLVUWQFSA-N 1 1 340.431 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C[C@H](C)OC)C[C@H]2C1 ZINC001055236406 768692085 /nfs/dbraw/zinc/69/20/85/768692085.db2.gz GZGWHZOPOJCAMA-NXOAAHMSSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C[C@H](C)OC)C[C@H]2C1 ZINC001055236406 768692089 /nfs/dbraw/zinc/69/20/89/768692089.db2.gz GZGWHZOPOJCAMA-NXOAAHMSSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001055251408 768710295 /nfs/dbraw/zinc/71/02/95/768710295.db2.gz APTSADRMLDHFJS-WCVJEAGWSA-N 1 1 333.432 0.036 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(=O)C3CCC3)C2)nn1 ZINC001098789996 768727907 /nfs/dbraw/zinc/72/79/07/768727907.db2.gz MIDAHTFJJDXCED-HNNXBMFYSA-N 1 1 346.435 0.243 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)C1 ZINC001055362157 768813677 /nfs/dbraw/zinc/81/36/77/768813677.db2.gz LKOLAJMVXKBQID-TUVASFSCSA-N 1 1 340.431 0.916 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001018239817 768947463 /nfs/dbraw/zinc/94/74/63/768947463.db2.gz XSVHWKWZXLSRKW-BETUJISGSA-N 1 1 334.420 0.568 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C ZINC000993414166 768996759 /nfs/dbraw/zinc/99/67/59/768996759.db2.gz NCRCAZUMSYDBDM-KBPBESRZSA-N 1 1 334.420 0.092 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001031276127 769034425 /nfs/dbraw/zinc/03/44/25/769034425.db2.gz LYOUHJVJOVGYDM-CQSZACIVSA-N 1 1 329.400 0.934 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031275909 769038214 /nfs/dbraw/zinc/03/82/14/769038214.db2.gz CVVRDSKQZQDJPJ-CQSZACIVSA-N 1 1 329.400 0.934 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001060579925 769049435 /nfs/dbraw/zinc/04/94/35/769049435.db2.gz KPJAMTBPPMWVKB-RUXDESIVSA-N 1 1 328.420 0.704 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001018300373 769054652 /nfs/dbraw/zinc/05/46/52/769054652.db2.gz YMHNROHGWKJDIH-HRCADAONSA-N 1 1 327.432 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)c3ccn[nH]3)CCCO2)C1=O ZINC001078344322 782717723 /nfs/dbraw/zinc/71/77/23/782717723.db2.gz MTXHFIAJCKFLAE-ZIAGYGMSSA-N 1 1 347.419 0.017 20 30 ECEDMO Cc1cnoc1C(=O)NC1CC[NH+](CCNC(=O)C#CC(C)C)CC1 ZINC001055573001 769150877 /nfs/dbraw/zinc/15/08/77/769150877.db2.gz NFMPTKHPDVFOHP-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H](C)OC)C2)CC1 ZINC001018357516 769180855 /nfs/dbraw/zinc/18/08/55/769180855.db2.gz GZHWRCMOUQQLNI-HZPDHXFCSA-N 1 1 335.448 0.427 20 30 ECEDMO C=C(C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055584820 769182733 /nfs/dbraw/zinc/18/27/33/769182733.db2.gz QSNXGBHTDXJMMR-UHFFFAOYSA-N 1 1 334.424 0.471 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)C[C@H]21 ZINC001042084156 782734140 /nfs/dbraw/zinc/73/41/40/782734140.db2.gz OXKOFBQFFOSURL-ZIAGYGMSSA-N 1 1 327.450 0.131 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001055625875 769290715 /nfs/dbraw/zinc/29/07/15/769290715.db2.gz LJXFNNAIZTZATC-AWEZNQCLSA-N 1 1 349.479 0.185 20 30 ECEDMO CCc1nocc1C(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055632169 769305715 /nfs/dbraw/zinc/30/57/15/769305715.db2.gz PWYYXBKENACFPY-GFCCVEGCSA-N 1 1 347.419 0.707 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000993687603 769483114 /nfs/dbraw/zinc/48/31/14/769483114.db2.gz MRMDKNBXRAETCL-WFASDCNBSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993687603 769483123 /nfs/dbraw/zinc/48/31/23/769483123.db2.gz MRMDKNBXRAETCL-WFASDCNBSA-N 1 1 339.403 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)C=C(C)C)C1 ZINC001055739190 769560319 /nfs/dbraw/zinc/56/03/19/769560319.db2.gz NPYOLTMXQNXZNY-LPHOPBHVSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)C=C(C)C)C1 ZINC001055739190 769560325 /nfs/dbraw/zinc/56/03/25/769560325.db2.gz NPYOLTMXQNXZNY-LPHOPBHVSA-N 1 1 347.459 0.520 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)[C@@H]2C)c1 ZINC000993768699 769588356 /nfs/dbraw/zinc/58/83/56/769588356.db2.gz FPEBCXRUBRZKIL-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)[C@@H]2C)c1 ZINC000993768699 769588363 /nfs/dbraw/zinc/58/83/63/769588363.db2.gz FPEBCXRUBRZKIL-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO Cc1nc(N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)ccc1C#N ZINC001055750932 769595920 /nfs/dbraw/zinc/59/59/20/769595920.db2.gz LEBZMQZALBBCJA-HNNXBMFYSA-N 1 1 329.404 0.241 20 30 ECEDMO Cc1nc(N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)ccc1C#N ZINC001055750932 769595930 /nfs/dbraw/zinc/59/59/30/769595930.db2.gz LEBZMQZALBBCJA-HNNXBMFYSA-N 1 1 329.404 0.241 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ncc(C#N)cc3Cl)CC2)C1 ZINC001055750939 769596148 /nfs/dbraw/zinc/59/61/48/769596148.db2.gz LVAVWCMETJFVKJ-AWEZNQCLSA-N 1 1 349.822 0.586 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3ncc(C#N)cc3Cl)CC2)C1 ZINC001055750939 769596155 /nfs/dbraw/zinc/59/61/55/769596155.db2.gz LVAVWCMETJFVKJ-AWEZNQCLSA-N 1 1 349.822 0.586 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H]1C ZINC000993802716 769642741 /nfs/dbraw/zinc/64/27/41/769642741.db2.gz HNUAIQVDGRIJMV-KGLIPLIRSA-N 1 1 330.432 0.739 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CCF)C2)c1 ZINC001018682649 769756307 /nfs/dbraw/zinc/75/63/07/769756307.db2.gz OPFYMPQXKRMVRG-LBPRGKRZSA-N 1 1 331.355 0.452 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CCCC1 ZINC001042104245 782776643 /nfs/dbraw/zinc/77/66/43/782776643.db2.gz MGUQOKMBNPJQNP-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C ZINC000993898019 769804739 /nfs/dbraw/zinc/80/47/39/769804739.db2.gz DZCYEUUSIFMCOY-GXTWGEPZSA-N 1 1 334.420 0.243 20 30 ECEDMO C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001055831104 769890718 /nfs/dbraw/zinc/89/07/18/769890718.db2.gz KEJHHTHGMCLTOF-KRWDZBQOSA-N 1 1 341.452 0.001 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001055832313 769895546 /nfs/dbraw/zinc/89/55/46/769895546.db2.gz KIPBUSLAVHLYMK-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055836719 769914591 /nfs/dbraw/zinc/91/45/91/769914591.db2.gz DREVGPDSRDYASZ-KDOFPFPSSA-N 1 1 337.464 0.763 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)c[nH]1 ZINC000993950598 769934094 /nfs/dbraw/zinc/93/40/94/769934094.db2.gz HRGIZGBLGFRRPW-AWEZNQCLSA-N 1 1 338.371 0.601 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)c1 ZINC000993951120 769936518 /nfs/dbraw/zinc/93/65/18/769936518.db2.gz IVORQADKWNEHJE-MRXNPFEDSA-N 1 1 349.394 0.778 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]21 ZINC001042123776 782810267 /nfs/dbraw/zinc/81/02/67/782810267.db2.gz VEIBUGQCMQJMEY-CABCVRRESA-N 1 1 326.462 0.920 20 30 ECEDMO N#Cc1cncc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)n1 ZINC001055912488 770188864 /nfs/dbraw/zinc/18/88/64/770188864.db2.gz KSMZFIGCTZABOL-ZBFHGGJFSA-N 1 1 340.431 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2scnc2CC)C1 ZINC000994149878 770211654 /nfs/dbraw/zinc/21/16/54/770211654.db2.gz FDODDCNUUBRLCL-AWEZNQCLSA-N 1 1 346.456 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2scnc2CC)C1 ZINC000994149878 770211664 /nfs/dbraw/zinc/21/16/64/770211664.db2.gz FDODDCNUUBRLCL-AWEZNQCLSA-N 1 1 346.456 0.744 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001018897459 770228816 /nfs/dbraw/zinc/22/88/16/770228816.db2.gz GPYPMEYVWWYIRW-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001018897459 770228821 /nfs/dbraw/zinc/22/88/21/770228821.db2.gz GPYPMEYVWWYIRW-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCCO2)[nH]1 ZINC001078382897 782818003 /nfs/dbraw/zinc/81/80/03/782818003.db2.gz SMZUXRKERMDDAT-CYBMUJFWSA-N 1 1 343.391 0.334 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H]1C ZINC000994164458 770233494 /nfs/dbraw/zinc/23/34/94/770233494.db2.gz GUOKMGKDIBJCBS-UONOGXRCSA-N 1 1 336.436 0.864 20 30 ECEDMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCCO2)nn1 ZINC001078383662 782819168 /nfs/dbraw/zinc/81/91/68/782819168.db2.gz BPTHCGMYEJBGGG-OAHLLOKOSA-N 1 1 343.391 0.036 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001055935340 770280879 /nfs/dbraw/zinc/28/08/79/770280879.db2.gz RINIINZBSRLEAA-SFHVURJKSA-N 1 1 346.431 0.471 20 30 ECEDMO C=CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055955295 770357263 /nfs/dbraw/zinc/35/72/63/770357263.db2.gz ZELVJYNRHWKDLI-CRAIPNDOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055971511 770401959 /nfs/dbraw/zinc/40/19/59/770401959.db2.gz FOGMRHARVIJYMU-CRAIPNDOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001018972610 770437407 /nfs/dbraw/zinc/43/74/07/770437407.db2.gz FUYQWXMPQHARHN-STQMWFEESA-N 1 1 329.408 0.763 20 30 ECEDMO C[N@@H+](CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1)C1CCC1 ZINC001055986173 770454725 /nfs/dbraw/zinc/45/47/25/770454725.db2.gz CMVQLVKDIPFGLA-LJQANCHMSA-N 1 1 347.459 0.354 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001055990884 770476306 /nfs/dbraw/zinc/47/63/06/770476306.db2.gz DQFIXSIJBZVNPB-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001055990884 770476310 /nfs/dbraw/zinc/47/63/10/770476310.db2.gz DQFIXSIJBZVNPB-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnnn2C(C)C)C1 ZINC001018986179 770485133 /nfs/dbraw/zinc/48/51/33/770485133.db2.gz ULOLVRCQDAGDPF-GJZGRUSLSA-N 1 1 345.451 0.042 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnnn2C(C)C)C1 ZINC001018986179 770485138 /nfs/dbraw/zinc/48/51/38/770485138.db2.gz ULOLVRCQDAGDPF-GJZGRUSLSA-N 1 1 345.451 0.042 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019011381 770562857 /nfs/dbraw/zinc/56/28/57/770562857.db2.gz JBZFCZWMKIUJCC-GOEBONIOSA-N 1 1 329.444 0.658 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)[C@@H]1C ZINC000994296539 770590801 /nfs/dbraw/zinc/59/08/01/770590801.db2.gz TWOXNMKBKITEKT-PBHICJAKSA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC)[C@@H]1C ZINC000994296539 770590806 /nfs/dbraw/zinc/59/08/06/770590806.db2.gz TWOXNMKBKITEKT-PBHICJAKSA-N 1 1 327.428 0.926 20 30 ECEDMO CC1(C)C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001089364974 770669411 /nfs/dbraw/zinc/66/94/11/770669411.db2.gz JHDQHEIMSRGJQH-ZFWWWQNUSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]2O)CC1 ZINC001083751369 770681910 /nfs/dbraw/zinc/68/19/10/770681910.db2.gz STAUEJMBXUIITD-BBWFWOEESA-N 1 1 348.447 0.152 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC(C)(C)C1 ZINC001089365448 770727644 /nfs/dbraw/zinc/72/76/44/770727644.db2.gz SJGJCPYJHSUUOC-WCQYABFASA-N 1 1 331.420 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnc(CC)s2)C1 ZINC000994400526 770741202 /nfs/dbraw/zinc/74/12/02/770741202.db2.gz XIGOMSKVOBMAGZ-ZDUSSCGKSA-N 1 1 346.456 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnc(CC)s2)C1 ZINC000994400526 770741205 /nfs/dbraw/zinc/74/12/05/770741205.db2.gz XIGOMSKVOBMAGZ-ZDUSSCGKSA-N 1 1 346.456 0.744 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 ZINC001056097784 770819812 /nfs/dbraw/zinc/81/98/12/770819812.db2.gz VMSNDTVMMNMHFI-PBHICJAKSA-N 1 1 338.452 0.348 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001056124236 770881319 /nfs/dbraw/zinc/88/13/19/770881319.db2.gz KWZUOIZPBCANOB-APWZRJJASA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CC1CC1)C2 ZINC001019142808 770914083 /nfs/dbraw/zinc/91/40/83/770914083.db2.gz AMCUBZRJIZYTCK-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CC1CC1)C2 ZINC001019142808 770914088 /nfs/dbraw/zinc/91/40/88/770914088.db2.gz AMCUBZRJIZYTCK-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2O)CC1 ZINC001083754783 770929665 /nfs/dbraw/zinc/92/96/65/770929665.db2.gz SWNWIOMRNQOHOD-XHSDSOJGSA-N 1 1 345.447 0.673 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cccc(F)c4C#N)C[C@H]32)C1 ZINC001056182515 771003391 /nfs/dbraw/zinc/00/33/91/771003391.db2.gz PKKAAKJPUHSFNF-UWWPHRKUSA-N 1 1 344.390 0.579 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cccc(F)c4C#N)C[C@H]32)C1 ZINC001056182515 771003399 /nfs/dbraw/zinc/00/33/99/771003399.db2.gz PKKAAKJPUHSFNF-UWWPHRKUSA-N 1 1 344.390 0.579 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001031419399 771038902 /nfs/dbraw/zinc/03/89/02/771038902.db2.gz ZOANJRXGJBTLOG-KRWDZBQOSA-N 1 1 346.406 0.718 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001031419399 771038906 /nfs/dbraw/zinc/03/89/06/771038906.db2.gz ZOANJRXGJBTLOG-KRWDZBQOSA-N 1 1 346.406 0.718 20 30 ECEDMO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCc3[nH+]ccn32)nn1 ZINC001056320851 771120003 /nfs/dbraw/zinc/12/00/03/771120003.db2.gz FXJRZJFIAVUCOS-QDEZUTFSSA-N 1 1 349.398 0.673 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC(C)(C)C1 ZINC001089423895 771125545 /nfs/dbraw/zinc/12/55/45/771125545.db2.gz PSDPFCLCXXUGKQ-INIZCTEOSA-N 1 1 348.491 0.391 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC001019407759 771261315 /nfs/dbraw/zinc/26/13/15/771261315.db2.gz UHQFLGPCALUDHA-LZWOXQAQSA-N 1 1 333.436 0.888 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001042188303 782909175 /nfs/dbraw/zinc/90/91/75/782909175.db2.gz RSXJYCYXNFDCIL-JKSUJKDBSA-N 1 1 349.475 0.980 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001056451849 771282458 /nfs/dbraw/zinc/28/24/58/771282458.db2.gz ZRBVBGULRKPXMX-QDEZUTFSSA-N 1 1 340.431 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)COCC ZINC001056452909 771283214 /nfs/dbraw/zinc/28/32/14/771283214.db2.gz OBMYTZZXDRUWSR-BBWFWOEESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)COCC ZINC001056452909 771283222 /nfs/dbraw/zinc/28/32/22/771283222.db2.gz OBMYTZZXDRUWSR-BBWFWOEESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001056466696 771303923 /nfs/dbraw/zinc/30/39/23/771303923.db2.gz CXHQHDLCVPZJNU-CIRFHOKZSA-N 1 1 335.411 0.602 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001056466696 771303931 /nfs/dbraw/zinc/30/39/31/771303931.db2.gz CXHQHDLCVPZJNU-CIRFHOKZSA-N 1 1 335.411 0.602 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)ns3)C[C@H]21 ZINC001056466998 771304682 /nfs/dbraw/zinc/30/46/82/771304682.db2.gz JXALOHNSVLHBSR-RFQIPJPRSA-N 1 1 331.445 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)ns3)C[C@H]21 ZINC001056466998 771304684 /nfs/dbraw/zinc/30/46/84/771304684.db2.gz JXALOHNSVLHBSR-RFQIPJPRSA-N 1 1 331.445 0.495 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC(C)(C)C1 ZINC001089491397 771325551 /nfs/dbraw/zinc/32/55/51/771325551.db2.gz NFERQSTWCDIZBG-QLFBSQMISA-N 1 1 335.448 0.649 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056496033 771334763 /nfs/dbraw/zinc/33/47/63/771334763.db2.gz JCXWUPYNAJDWEU-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(F)nc3)C2)C1=O ZINC001031586596 771345603 /nfs/dbraw/zinc/34/56/03/771345603.db2.gz FSLNSDWTPZHJEX-AWEZNQCLSA-N 1 1 332.379 0.669 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001019482447 771345920 /nfs/dbraw/zinc/34/59/20/771345920.db2.gz VFOKDIMXQWZRSE-JQWIXIFHSA-N 1 1 330.396 0.456 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001031589047 771353271 /nfs/dbraw/zinc/35/32/71/771353271.db2.gz IBULDJZSDBOSGV-CQSZACIVSA-N 1 1 331.420 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCN2C(=O)CNC2=O)cc1 ZINC001038583783 771382705 /nfs/dbraw/zinc/38/27/05/771382705.db2.gz YLKHWORGVCUKCU-OAHLLOKOSA-N 1 1 340.383 0.024 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CCN2C(=O)CNC2=O)cc1 ZINC001038583783 771382712 /nfs/dbraw/zinc/38/27/12/771382712.db2.gz YLKHWORGVCUKCU-OAHLLOKOSA-N 1 1 340.383 0.024 20 30 ECEDMO CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001056642290 771458651 /nfs/dbraw/zinc/45/86/51/771458651.db2.gz HVVWLADTWNOXGI-CHWSQXEVSA-N 1 1 328.420 0.875 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001056647996 771466334 /nfs/dbraw/zinc/46/63/34/771466334.db2.gz DGQGUFXDGTZRJE-HZPDHXFCSA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001056647996 771466338 /nfs/dbraw/zinc/46/63/38/771466338.db2.gz DGQGUFXDGTZRJE-HZPDHXFCSA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001056648377 771467528 /nfs/dbraw/zinc/46/75/28/771467528.db2.gz SPMMXLMEKMIECB-GDBMZVCRSA-N 1 1 329.404 0.109 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001056648377 771467533 /nfs/dbraw/zinc/46/75/33/771467533.db2.gz SPMMXLMEKMIECB-GDBMZVCRSA-N 1 1 329.404 0.109 20 30 ECEDMO Cc1csc(=O)n1CC[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619367 771468049 /nfs/dbraw/zinc/46/80/49/771468049.db2.gz VPZORAUVLGDUAT-UHFFFAOYSA-N 1 1 345.428 0.780 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001031619597 771469809 /nfs/dbraw/zinc/46/98/09/771469809.db2.gz AEOPRGAJYHWLEY-OAHLLOKOSA-N 1 1 327.388 0.335 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031621685 771482285 /nfs/dbraw/zinc/48/22/85/771482285.db2.gz MMHQLKSTQHLJDZ-QGZVFWFLSA-N 1 1 328.416 0.437 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001056666201 771488946 /nfs/dbraw/zinc/48/89/46/771488946.db2.gz HKUHWHDMPSSVOH-GVDBMIGSSA-N 1 1 347.459 0.427 20 30 ECEDMO N#Cc1nccnc1N[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056666998 771490286 /nfs/dbraw/zinc/49/02/86/771490286.db2.gz OJBWMFQBDRXXMT-CYBMUJFWSA-N 1 1 330.392 0.083 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)C2CCN(C(=O)C3CC3)CC2)C1=O ZINC001089568293 771527499 /nfs/dbraw/zinc/52/74/99/771527499.db2.gz JVWYQPVQJSGRHJ-MRXNPFEDSA-N 1 1 335.448 0.469 20 30 ECEDMO N#Cc1cc(C[NH2+][C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)ccc1F ZINC001019628906 771629801 /nfs/dbraw/zinc/62/98/01/771629801.db2.gz WOPPLXPXYYYPMC-ZDUSSCGKSA-N 1 1 328.351 0.749 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)c1 ZINC001042211971 782946281 /nfs/dbraw/zinc/94/62/81/782946281.db2.gz XKSNWUIJBOUXLM-DOMZBBRYSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)c1 ZINC001042211971 782946286 /nfs/dbraw/zinc/94/62/86/782946286.db2.gz XKSNWUIJBOUXLM-DOMZBBRYSA-N 1 1 330.363 0.605 20 30 ECEDMO Cc1ccc(C#N)c(N(C)[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056879846 771756877 /nfs/dbraw/zinc/75/68/77/771756877.db2.gz NWPCVTAHIRUGGU-CVEARBPZSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1ccc(C#N)c(N(C)[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056879846 771756881 /nfs/dbraw/zinc/75/68/81/771756881.db2.gz NWPCVTAHIRUGGU-CVEARBPZSA-N 1 1 343.431 0.629 20 30 ECEDMO CCc1nc(C#N)cc(N(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001056926745 771815519 /nfs/dbraw/zinc/81/55/19/771815519.db2.gz OPCVHFHBEIBSCN-UKRRQHHQSA-N 1 1 342.447 0.899 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H]3CCCOC3)C2)CC1 ZINC001019814335 771829203 /nfs/dbraw/zinc/82/92/03/771829203.db2.gz ZLNJPISNLZUHRX-WMZOPIPTSA-N 1 1 333.476 0.949 20 30 ECEDMO CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056942271 771840420 /nfs/dbraw/zinc/84/04/20/771840420.db2.gz ULDPOCOBGWVKRD-ZFWWWQNUSA-N 1 1 328.420 0.727 20 30 ECEDMO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001057006575 771936840 /nfs/dbraw/zinc/93/68/40/771936840.db2.gz VFAXTVPCVFLEBO-GJZGRUSLSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001057006574 771936929 /nfs/dbraw/zinc/93/69/29/771936929.db2.gz VFAXTVPCVFLEBO-CABCVRRESA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057027320 771963065 /nfs/dbraw/zinc/96/30/65/771963065.db2.gz DTFADWMMZYDCAZ-KGLIPLIRSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3cncc(C#N)n3)C2)O1 ZINC001057062343 772018926 /nfs/dbraw/zinc/01/89/26/772018926.db2.gz OUEJQZKNKRAYCT-VHDGCEQUSA-N 1 1 344.419 0.104 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3cncc(C#N)n3)C2)O1 ZINC001057062343 772018931 /nfs/dbraw/zinc/01/89/31/772018931.db2.gz OUEJQZKNKRAYCT-VHDGCEQUSA-N 1 1 344.419 0.104 20 30 ECEDMO CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001057066768 772028056 /nfs/dbraw/zinc/02/80/56/772028056.db2.gz YWLSSMQEDXQHOO-UKRRQHHQSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncc2)[C@H]1C ZINC001020004104 772067487 /nfs/dbraw/zinc/06/74/87/772067487.db2.gz CTENULCCDXZSMZ-XIRDDKMYSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncc2)[C@H]1C ZINC001020004104 772067492 /nfs/dbraw/zinc/06/74/92/772067492.db2.gz CTENULCCDXZSMZ-XIRDDKMYSA-N 1 1 340.427 0.898 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001057115400 772108843 /nfs/dbraw/zinc/10/88/43/772108843.db2.gz RMVJZFPINCIKQW-OAHLLOKOSA-N 1 1 347.394 0.462 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001057115400 772108846 /nfs/dbraw/zinc/10/88/46/772108846.db2.gz RMVJZFPINCIKQW-OAHLLOKOSA-N 1 1 347.394 0.462 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057146736 772165203 /nfs/dbraw/zinc/16/52/03/772165203.db2.gz LUZPKOZAJFTHJR-KRWDZBQOSA-N 1 1 343.431 0.713 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057146736 772165206 /nfs/dbraw/zinc/16/52/06/772165206.db2.gz LUZPKOZAJFTHJR-KRWDZBQOSA-N 1 1 343.431 0.713 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001057157619 772188691 /nfs/dbraw/zinc/18/86/91/772188691.db2.gz KJPFVTYQSJAJDH-CQSZACIVSA-N 1 1 328.420 0.729 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cn(C)nn3)C2)C1 ZINC001078465453 782997315 /nfs/dbraw/zinc/99/73/15/782997315.db2.gz ZQSBEQJOMCLJMH-HNNXBMFYSA-N 1 1 333.436 0.879 20 30 ECEDMO C=CCCC1(C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001057211799 772285664 /nfs/dbraw/zinc/28/56/64/772285664.db2.gz DCGOWPKNNSFISM-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nccc(C)n2)C1 ZINC001020250810 772352299 /nfs/dbraw/zinc/35/22/99/772352299.db2.gz RYHAQXBIBVGHMT-JYJNAYRXSA-N 1 1 327.432 0.619 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057256016 772353569 /nfs/dbraw/zinc/35/35/69/772353569.db2.gz FREAXIZGVJJEOQ-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]c2)[C@H]1C ZINC001020324517 772442364 /nfs/dbraw/zinc/44/23/64/772442364.db2.gz ULKZUDIJUMOAFY-BPUTZDHNSA-N 1 1 328.416 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]c2)[C@H]1C ZINC001020324517 772442367 /nfs/dbraw/zinc/44/23/67/772442367.db2.gz ULKZUDIJUMOAFY-BPUTZDHNSA-N 1 1 328.416 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nonc2C)[C@H]1C ZINC001020374158 772505624 /nfs/dbraw/zinc/50/56/24/772505624.db2.gz CTERDCJYRNUPCG-IHRRRGAJSA-N 1 1 345.403 0.195 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nonc2C)[C@H]1C ZINC001020374158 772505625 /nfs/dbraw/zinc/50/56/25/772505625.db2.gz CTERDCJYRNUPCG-IHRRRGAJSA-N 1 1 345.403 0.195 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001057390958 772559649 /nfs/dbraw/zinc/55/96/49/772559649.db2.gz WXVLECGEWPSTCQ-UHFFFAOYSA-N 1 1 334.420 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1coc(C)c1 ZINC001057428666 772603767 /nfs/dbraw/zinc/60/37/67/772603767.db2.gz IMNNMDRBYUZFCV-INIZCTEOSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1coc(C)c1 ZINC001057428666 772603768 /nfs/dbraw/zinc/60/37/68/772603768.db2.gz IMNNMDRBYUZFCV-INIZCTEOSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001057447376 772624910 /nfs/dbraw/zinc/62/49/10/772624910.db2.gz WVAFFKRCDNDRJG-UHFFFAOYSA-N 1 1 348.447 0.747 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001057519491 772710472 /nfs/dbraw/zinc/71/04/72/772710472.db2.gz XDHRIZLLYGAVJZ-SFHVURJKSA-N 1 1 335.448 0.069 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001057600445 772797781 /nfs/dbraw/zinc/79/77/81/772797781.db2.gz APAMKAOWSSQQGE-GOEBONIOSA-N 1 1 329.404 0.109 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001057600445 772797784 /nfs/dbraw/zinc/79/77/84/772797784.db2.gz APAMKAOWSSQQGE-GOEBONIOSA-N 1 1 329.404 0.109 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001057655345 772871234 /nfs/dbraw/zinc/87/12/34/772871234.db2.gz NXYXPVHERCYHPM-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001057655345 772871239 /nfs/dbraw/zinc/87/12/39/772871239.db2.gz NXYXPVHERCYHPM-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001057738639 772955264 /nfs/dbraw/zinc/95/52/64/772955264.db2.gz DONUMDRVJLAJDT-HZPDHXFCSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2ccc(C#N)nn2)C1 ZINC001057773929 772974685 /nfs/dbraw/zinc/97/46/85/772974685.db2.gz ZJCJRCXWOHFZEV-HOTGVXAUSA-N 1 1 338.415 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2ccc(C#N)nn2)C1 ZINC001057773929 772974688 /nfs/dbraw/zinc/97/46/88/772974688.db2.gz ZJCJRCXWOHFZEV-HOTGVXAUSA-N 1 1 338.415 0.849 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](Nc3nccnc3C#N)C2)O1 ZINC001057774876 772975538 /nfs/dbraw/zinc/97/55/38/772975538.db2.gz YSDQIQGHUUHXHT-UMVBOHGHSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](Nc3nccnc3C#N)C2)O1 ZINC001057774876 772975543 /nfs/dbraw/zinc/97/55/43/772975543.db2.gz YSDQIQGHUUHXHT-UMVBOHGHSA-N 1 1 344.419 0.470 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057785468 772980943 /nfs/dbraw/zinc/98/09/43/772980943.db2.gz DTUXSZWNDPVOEJ-CQSZACIVSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057791311 772986973 /nfs/dbraw/zinc/98/69/73/772986973.db2.gz IENVLKALTMLWLP-AWEZNQCLSA-N 1 1 328.420 0.633 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001057806808 773005949 /nfs/dbraw/zinc/00/59/49/773005949.db2.gz SCRQXVLGDYCFSI-HNNXBMFYSA-N 1 1 325.453 0.622 20 30 ECEDMO Cc1ccc(C#N)c(N2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001057845419 773063407 /nfs/dbraw/zinc/06/34/07/773063407.db2.gz DOWUTNKZAIWMJN-INIZCTEOSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1ccc(C#N)c(N2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001057845419 773063410 /nfs/dbraw/zinc/06/34/10/773063410.db2.gz DOWUTNKZAIWMJN-INIZCTEOSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001057845418 773063606 /nfs/dbraw/zinc/06/36/06/773063606.db2.gz DOTCZDDUZUCNEI-OAHLLOKOSA-N 1 1 344.419 0.072 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001057845418 773063610 /nfs/dbraw/zinc/06/36/10/773063610.db2.gz DOTCZDDUZUCNEI-OAHLLOKOSA-N 1 1 344.419 0.072 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccoc1C ZINC001057961114 773290768 /nfs/dbraw/zinc/29/07/68/773290768.db2.gz JOPAPCGHQKFTHC-INIZCTEOSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccoc1C ZINC001057961114 773290772 /nfs/dbraw/zinc/29/07/72/773290772.db2.gz JOPAPCGHQKFTHC-INIZCTEOSA-N 1 1 347.415 0.236 20 30 ECEDMO C=CCOCC(=O)NCCN(CCO)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001057966575 773301435 /nfs/dbraw/zinc/30/14/35/773301435.db2.gz MAANYINOARJVHK-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057970226 773309747 /nfs/dbraw/zinc/30/97/47/773309747.db2.gz FCCGJBXGLHGRRI-INIZCTEOSA-N 1 1 338.415 0.531 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057970226 773309752 /nfs/dbraw/zinc/30/97/52/773309752.db2.gz FCCGJBXGLHGRRI-INIZCTEOSA-N 1 1 338.415 0.531 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2cnc(F)cn2)CC1 ZINC001057970522 773310495 /nfs/dbraw/zinc/31/04/95/773310495.db2.gz YWSPLLQEZHKOPG-AWEZNQCLSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2cnc(F)cn2)CC1 ZINC001057970522 773310503 /nfs/dbraw/zinc/31/05/03/773310503.db2.gz YWSPLLQEZHKOPG-AWEZNQCLSA-N 1 1 331.395 0.798 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058041154 773411168 /nfs/dbraw/zinc/41/11/68/773411168.db2.gz RYECPTNPRABLFQ-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058043564 773416590 /nfs/dbraw/zinc/41/65/90/773416590.db2.gz WPKKUSBIGTTWTK-CQSZACIVSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058043564 773416592 /nfs/dbraw/zinc/41/65/92/773416592.db2.gz WPKKUSBIGTTWTK-CQSZACIVSA-N 1 1 344.419 0.106 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001040613415 783101952 /nfs/dbraw/zinc/10/19/52/783101952.db2.gz LBMMGHHWNKENDG-LPHOPBHVSA-N 1 1 349.475 0.601 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001058157684 773657612 /nfs/dbraw/zinc/65/76/12/773657612.db2.gz FISSDABVPKSBFD-OAHLLOKOSA-N 1 1 337.464 0.622 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058219200 773793607 /nfs/dbraw/zinc/79/36/07/773793607.db2.gz NAOJVHXPJFJXEY-CABCVRRESA-N 1 1 328.420 0.918 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058254185 773851248 /nfs/dbraw/zinc/85/12/48/773851248.db2.gz YFQMWKYOCOPXCX-KRWDZBQOSA-N 1 1 327.469 0.868 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058264427 773876419 /nfs/dbraw/zinc/87/64/19/773876419.db2.gz ZCFOTYXLRHZSDM-CVEARBPZSA-N 1 1 338.415 0.531 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058264427 773876424 /nfs/dbraw/zinc/87/64/24/773876424.db2.gz ZCFOTYXLRHZSDM-CVEARBPZSA-N 1 1 338.415 0.531 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)O1 ZINC001058264365 773876706 /nfs/dbraw/zinc/87/67/06/773876706.db2.gz VYGXUMKVGBRYDR-UMVBOHGHSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)O1 ZINC001058264365 773876713 /nfs/dbraw/zinc/87/67/13/773876713.db2.gz VYGXUMKVGBRYDR-UMVBOHGHSA-N 1 1 344.419 0.152 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001058288309 773924148 /nfs/dbraw/zinc/92/41/48/773924148.db2.gz ZBDKDDMYWVIXGA-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](F)C(C)C ZINC001058433827 774171968 /nfs/dbraw/zinc/17/19/68/774171968.db2.gz YHXMBCMMYSXORK-GJZGRUSLSA-N 1 1 341.427 0.015 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](F)C(C)C ZINC001058433827 774171973 /nfs/dbraw/zinc/17/19/73/774171973.db2.gz YHXMBCMMYSXORK-GJZGRUSLSA-N 1 1 341.427 0.015 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058464263 774234402 /nfs/dbraw/zinc/23/44/02/774234402.db2.gz RTYSKEQTHQIPJI-HOTGVXAUSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001058468941 774245083 /nfs/dbraw/zinc/24/50/83/774245083.db2.gz VKIJJOOWENSBEC-OAHLLOKOSA-N 1 1 336.436 0.731 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)C1 ZINC001058521121 774353198 /nfs/dbraw/zinc/35/31/98/774353198.db2.gz FJBBUXHGHKJKOY-UKRRQHHQSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)C1 ZINC001058521121 774353207 /nfs/dbraw/zinc/35/32/07/774353207.db2.gz FJBBUXHGHKJKOY-UKRRQHHQSA-N 1 1 344.419 0.152 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)C1 ZINC001058542946 774398657 /nfs/dbraw/zinc/39/86/57/774398657.db2.gz HDPQPGGFTUUMCZ-AWEZNQCLSA-N 1 1 328.420 0.775 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCN(c3nccnc3C#N)C2)C1 ZINC001058543117 774399177 /nfs/dbraw/zinc/39/91/77/774399177.db2.gz LRXRSTUGMKXRPY-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001058550625 774417899 /nfs/dbraw/zinc/41/78/99/774417899.db2.gz AJSSFASXIDHWEI-ZIAGYGMSSA-N 1 1 328.420 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nccc(OC)n2)C1 ZINC001058590020 774491810 /nfs/dbraw/zinc/49/18/10/774491810.db2.gz RXXFNOAFDHDHLN-KGLIPLIRSA-N 1 1 329.404 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nccc(OC)n2)C1 ZINC001058590020 774491814 /nfs/dbraw/zinc/49/18/14/774491814.db2.gz RXXFNOAFDHDHLN-KGLIPLIRSA-N 1 1 329.404 0.278 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nc(C)cc(C)n2)C1 ZINC001058589914 774491924 /nfs/dbraw/zinc/49/19/24/774491924.db2.gz PLRFFGSQTOWVBE-HOTGVXAUSA-N 1 1 327.432 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nc(C)cc(C)n2)C1 ZINC001058589914 774491927 /nfs/dbraw/zinc/49/19/27/774491927.db2.gz PLRFFGSQTOWVBE-HOTGVXAUSA-N 1 1 327.432 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cncc(Cl)n2)C1 ZINC001058589834 774492186 /nfs/dbraw/zinc/49/21/86/774492186.db2.gz NPPBBHNLAZSYAU-STQMWFEESA-N 1 1 333.823 0.923 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cncc(Cl)n2)C1 ZINC001058589834 774492188 /nfs/dbraw/zinc/49/21/88/774492188.db2.gz NPPBBHNLAZSYAU-STQMWFEESA-N 1 1 333.823 0.923 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(c3ccnc(C#N)n3)[C@H]2C1 ZINC001044942164 774749719 /nfs/dbraw/zinc/74/97/19/774749719.db2.gz ZJIOGXNJAGQCIF-KKUMJFAQSA-N 1 1 340.431 0.870 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001044980180 774794262 /nfs/dbraw/zinc/79/42/62/774794262.db2.gz KUPBCRXSMIRSLZ-ZIAGYGMSSA-N 1 1 325.453 0.476 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001044985247 774801182 /nfs/dbraw/zinc/80/11/82/774801182.db2.gz IHEMTNLLCHVKNM-KGLIPLIRSA-N 1 1 325.453 0.474 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001044993757 774809948 /nfs/dbraw/zinc/80/99/48/774809948.db2.gz BBIDCFRSYYKZAE-UHFFFAOYSA-N 1 1 346.431 0.570 20 30 ECEDMO CC(C)n1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001045000619 774817821 /nfs/dbraw/zinc/81/78/21/774817821.db2.gz OVKDHBDRTMBSJQ-ZDUSSCGKSA-N 1 1 342.407 0.848 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001045003477 774823242 /nfs/dbraw/zinc/82/32/42/774823242.db2.gz VBFWOWYVQKKXCK-HUUCEWRRSA-N 1 1 335.448 0.210 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(c4cnc(C#N)cn4)[C@H]3C2)C1 ZINC001045041769 774887810 /nfs/dbraw/zinc/88/78/10/774887810.db2.gz XGLDEWNZVGOBQD-DZKIICNBSA-N 1 1 340.431 0.727 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001045063617 774919297 /nfs/dbraw/zinc/91/92/97/774919297.db2.gz CXCHJYBBWSVRMY-HUUCEWRRSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cnsn1 ZINC001045073401 774935032 /nfs/dbraw/zinc/93/50/32/774935032.db2.gz FNDZCKBUFJZFKA-GJZGRUSLSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cnsn1 ZINC001045073401 774935036 /nfs/dbraw/zinc/93/50/36/774935036.db2.gz FNDZCKBUFJZFKA-GJZGRUSLSA-N 1 1 333.461 0.716 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)c2[nH]nnc2C)C1=O ZINC001045145855 775051218 /nfs/dbraw/zinc/05/12/18/775051218.db2.gz ZWNIXPUNYYINSV-QWHCGFSZSA-N 1 1 332.408 0.094 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)c(C#N)cn1 ZINC001043876085 775179581 /nfs/dbraw/zinc/17/95/81/775179581.db2.gz SKLKLMLCMNFARP-YCPHGPKFSA-N 1 1 329.404 0.022 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccncc3C2)[C@@H](n2ccnn2)C1 ZINC001070025978 790371088 /nfs/dbraw/zinc/37/10/88/790371088.db2.gz VEUOXBMJOMRAMT-UAGQMJEPSA-N 1 1 338.415 0.616 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccncc3C2)[C@@H](n2ccnn2)C1 ZINC001070025978 790371105 /nfs/dbraw/zinc/37/11/05/790371105.db2.gz VEUOXBMJOMRAMT-UAGQMJEPSA-N 1 1 338.415 0.616 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001045458331 775640060 /nfs/dbraw/zinc/64/00/60/775640060.db2.gz AZPFLTQYWBDTJK-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070026871 790374580 /nfs/dbraw/zinc/37/45/80/790374580.db2.gz LOEVWMRVWFHCMV-XHSDSOJGSA-N 1 1 332.452 0.680 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070026871 790374594 /nfs/dbraw/zinc/37/45/94/790374594.db2.gz LOEVWMRVWFHCMV-XHSDSOJGSA-N 1 1 332.452 0.680 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001044192122 775889495 /nfs/dbraw/zinc/88/94/95/775889495.db2.gz SRDKGLCKNGFCAB-PMPSAXMXSA-N 1 1 343.431 0.492 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)c[nH]1 ZINC001045758338 776150385 /nfs/dbraw/zinc/15/03/85/776150385.db2.gz VIXKIEPNHGLOND-QLFBSQMISA-N 1 1 327.388 0.454 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)c(C#N)cn1 ZINC001044386530 776260612 /nfs/dbraw/zinc/26/06/12/776260612.db2.gz UXDKXPNVEOQAQN-VYDXJSESSA-N 1 1 343.431 0.412 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001044405128 776280757 /nfs/dbraw/zinc/28/07/57/776280757.db2.gz RVSGYVKIQOAXFG-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001044464751 776324151 /nfs/dbraw/zinc/32/41/51/776324151.db2.gz RNVCLIOFZJXZIA-GJZGRUSLSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(COC)on2)[C@@H](n2ccnn2)C1 ZINC001070045439 790438439 /nfs/dbraw/zinc/43/84/39/790438439.db2.gz ALITXKAUVSDPJG-CABCVRRESA-N 1 1 346.391 0.644 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(COC)on2)[C@@H](n2ccnn2)C1 ZINC001070045439 790438443 /nfs/dbraw/zinc/43/84/43/790438443.db2.gz ALITXKAUVSDPJG-CABCVRRESA-N 1 1 346.391 0.644 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046749 790442269 /nfs/dbraw/zinc/44/22/69/790442269.db2.gz MHHPQEMQOFEZEV-IKGGRYGDSA-N 1 1 344.463 0.516 20 30 ECEDMO Cc1nsc(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)c1C#N ZINC001044547597 776418268 /nfs/dbraw/zinc/41/82/68/776418268.db2.gz PBXPGOXVZQWNQV-HONMWMINSA-N 1 1 349.460 0.331 20 30 ECEDMO C#CCCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001079641881 776587147 /nfs/dbraw/zinc/58/71/47/776587147.db2.gz DDLYYNIRXLXGHZ-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001079641881 776587155 /nfs/dbraw/zinc/58/71/55/776587155.db2.gz DDLYYNIRXLXGHZ-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642982 776590400 /nfs/dbraw/zinc/59/04/00/776590400.db2.gz SLWYJMKBHYPDKC-KMUNFCNLSA-N 1 1 346.362 0.742 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642982 776590410 /nfs/dbraw/zinc/59/04/10/776590410.db2.gz SLWYJMKBHYPDKC-KMUNFCNLSA-N 1 1 346.362 0.742 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001044702971 776664092 /nfs/dbraw/zinc/66/40/92/776664092.db2.gz CTVFFWJCHGEETI-IKGGRYGDSA-N 1 1 343.431 0.493 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001079681867 776675899 /nfs/dbraw/zinc/67/58/99/776675899.db2.gz GJZDKQRNNMLDMA-QGZVFWFLSA-N 1 1 349.475 0.958 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3nnn(C)n3)C[C@@H]2C)c1 ZINC001044743567 776728805 /nfs/dbraw/zinc/72/88/05/776728805.db2.gz WHVCGVLFCFMCPO-SWLSCSKDSA-N 1 1 339.403 0.369 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079703900 776728938 /nfs/dbraw/zinc/72/89/38/776728938.db2.gz BGPGMJSKSMCOBM-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079703900 776728943 /nfs/dbraw/zinc/72/89/43/776728943.db2.gz BGPGMJSKSMCOBM-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704283 776730649 /nfs/dbraw/zinc/73/06/49/776730649.db2.gz RNEHPXOMNZQGDF-ZWNOBZJWSA-N 1 1 331.405 0.243 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704283 776730654 /nfs/dbraw/zinc/73/06/54/776730654.db2.gz RNEHPXOMNZQGDF-ZWNOBZJWSA-N 1 1 331.405 0.243 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)Cn1nccn1 ZINC001079773903 776843462 /nfs/dbraw/zinc/84/34/62/776843462.db2.gz DUDHTBCYTXMFKR-RHSMWYFYSA-N 1 1 341.390 0.905 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)Cn1nccn1 ZINC001079773903 776843468 /nfs/dbraw/zinc/84/34/68/776843468.db2.gz DUDHTBCYTXMFKR-RHSMWYFYSA-N 1 1 341.390 0.905 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079776055 776849484 /nfs/dbraw/zinc/84/94/84/776849484.db2.gz AEUMKYQOIZYNFI-NVXWUHKLSA-N 1 1 349.475 0.957 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068528052 790486248 /nfs/dbraw/zinc/48/62/48/790486248.db2.gz TUJFNMVSIUKIQD-KKUMJFAQSA-N 1 1 342.447 0.950 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079860239 776990798 /nfs/dbraw/zinc/99/07/98/776990798.db2.gz XMJJZCPFZHTUCH-IJEWVQPXSA-N 1 1 337.464 0.977 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1C ZINC001079879401 777013275 /nfs/dbraw/zinc/01/32/75/777013275.db2.gz QAXCXUCDXITWNV-OLMNPRSZSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1C ZINC001079879401 777013280 /nfs/dbraw/zinc/01/32/80/777013280.db2.gz QAXCXUCDXITWNV-OLMNPRSZSA-N 1 1 341.459 0.819 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001079981756 777189008 /nfs/dbraw/zinc/18/90/08/777189008.db2.gz ZVOJFPRKDNLKPG-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001079984651 777193293 /nfs/dbraw/zinc/19/32/93/777193293.db2.gz DQRBTJRJOYFQTA-MGPQQGTHSA-N 1 1 333.436 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](CC)OCC)C1 ZINC001080009249 777222654 /nfs/dbraw/zinc/22/26/54/777222654.db2.gz WETQOFBFXLCJJT-IRXDYDNUSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](CC)OCC)C1 ZINC001080009249 777222661 /nfs/dbraw/zinc/22/26/61/777222661.db2.gz WETQOFBFXLCJJT-IRXDYDNUSA-N 1 1 349.475 0.958 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001080084088 777357677 /nfs/dbraw/zinc/35/76/77/777357677.db2.gz QAWMVXRUDGBFMN-UKRRQHHQSA-N 1 1 334.420 0.516 20 30 ECEDMO CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001080140032 777448143 /nfs/dbraw/zinc/44/81/43/777448143.db2.gz GQRSTNGYTNLRDZ-CYBMUJFWSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080177783 777508017 /nfs/dbraw/zinc/50/80/17/777508017.db2.gz ABJVHUKAPZZDMM-RCDNUKIMSA-N 1 1 347.459 0.875 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001080201186 777547698 /nfs/dbraw/zinc/54/76/98/777547698.db2.gz UJELRRDEQQIGLY-BEFAXECRSA-N 1 1 347.459 0.570 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2C)cc1 ZINC001080244892 777601993 /nfs/dbraw/zinc/60/19/93/777601993.db2.gz QPOHEHXUMCIQKB-WQVCFCJDSA-N 1 1 339.395 0.523 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2C)cc1 ZINC001080244892 777601997 /nfs/dbraw/zinc/60/19/97/777601997.db2.gz QPOHEHXUMCIQKB-WQVCFCJDSA-N 1 1 339.395 0.523 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)c1 ZINC001080410705 777811378 /nfs/dbraw/zinc/81/13/78/777811378.db2.gz OPFVXNWPUHETRI-WQVCFCJDSA-N 1 1 326.400 0.344 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)c1 ZINC001080410705 777811390 /nfs/dbraw/zinc/81/13/90/777811390.db2.gz OPFVXNWPUHETRI-WQVCFCJDSA-N 1 1 326.400 0.344 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080413420 777814051 /nfs/dbraw/zinc/81/40/51/777814051.db2.gz XYIPWYPUEZZJJQ-QMOGDXDJSA-N 1 1 346.431 0.069 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1nccnc1C#N ZINC001043252880 778048409 /nfs/dbraw/zinc/04/84/09/778048409.db2.gz VPAHBHGHRWEXFL-UMVBOHGHSA-N 1 1 328.420 0.949 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001080564354 778049624 /nfs/dbraw/zinc/04/96/24/778049624.db2.gz UBXYQWGVZXINRM-HNNXBMFYSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001043415669 778292311 /nfs/dbraw/zinc/29/23/11/778292311.db2.gz RWZKLJGHVHIADO-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001043450410 778354701 /nfs/dbraw/zinc/35/47/01/778354701.db2.gz VANCGYLZFWERBA-MRXNPFEDSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001043462193 778372741 /nfs/dbraw/zinc/37/27/41/778372741.db2.gz HENKJYMXFGUESS-AWEZNQCLSA-N 1 1 344.415 0.254 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3ccncc3C#N)C2)C1 ZINC001043515925 778448052 /nfs/dbraw/zinc/44/80/52/778448052.db2.gz ALSXRFBPZMICGO-CKEIUWERSA-N 1 1 327.432 0.976 20 30 ECEDMO C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001043578835 778542918 /nfs/dbraw/zinc/54/29/18/778542918.db2.gz FMJAIBXBJOGKJR-BXUZGUMPSA-N 1 1 325.376 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc(F)ncn2)C1 ZINC001043587811 778550362 /nfs/dbraw/zinc/55/03/62/778550362.db2.gz ZMRXEVMGYGBCHD-MCIONIFRSA-N 1 1 331.395 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc(F)ncn2)C1 ZINC001043587811 778550366 /nfs/dbraw/zinc/55/03/66/778550366.db2.gz ZMRXEVMGYGBCHD-MCIONIFRSA-N 1 1 331.395 0.972 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCOCC1 ZINC001070108499 790630513 /nfs/dbraw/zinc/63/05/13/790630513.db2.gz FFUPBZSFZPUIEZ-HZPDHXFCSA-N 1 1 349.475 0.625 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070109095 790632656 /nfs/dbraw/zinc/63/26/56/790632656.db2.gz FFJLAPAOTBLUBH-OAGGEKHMSA-N 1 1 339.399 0.982 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070109095 790632660 /nfs/dbraw/zinc/63/26/60/790632660.db2.gz FFJLAPAOTBLUBH-OAGGEKHMSA-N 1 1 339.399 0.982 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)O2 ZINC001068586949 790639458 /nfs/dbraw/zinc/63/94/58/790639458.db2.gz NZYRLUQHBZWTLU-ZFWWWQNUSA-N 1 1 348.447 0.507 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](n2ccnn2)C1 ZINC001070111387 790640913 /nfs/dbraw/zinc/64/09/13/790640913.db2.gz GWWCFXFGLKYRGT-KGLIPLIRSA-N 1 1 329.408 0.931 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070112121 790643309 /nfs/dbraw/zinc/64/33/09/790643309.db2.gz MYTXYEXOTHIBBW-UHFFFAOYSA-N 1 1 344.415 0.387 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001043766721 778834902 /nfs/dbraw/zinc/83/49/02/778834902.db2.gz KAVUWMUBNUJUGZ-GJZGRUSLSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001043766721 778834906 /nfs/dbraw/zinc/83/49/06/778834906.db2.gz KAVUWMUBNUJUGZ-GJZGRUSLSA-N 1 1 349.475 0.456 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043768884 778838987 /nfs/dbraw/zinc/83/89/87/778838987.db2.gz DTPNGUIDYFFSLT-AWEZNQCLSA-N 1 1 335.448 0.210 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043773366 778850847 /nfs/dbraw/zinc/85/08/47/778850847.db2.gz NQNKYGNXIYJSFY-CABCVRRESA-N 1 1 337.464 0.763 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070122235 790682873 /nfs/dbraw/zinc/68/28/73/790682873.db2.gz QSZVJHWARIXUDV-HNNXBMFYSA-N 1 1 335.448 0.379 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001068620744 790731013 /nfs/dbraw/zinc/73/10/13/790731013.db2.gz QZNJXGRTCGHION-UONOGXRCSA-N 1 1 336.436 0.364 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001078481502 779956564 /nfs/dbraw/zinc/95/65/64/779956564.db2.gz VIECSXVVDKGROV-HNNXBMFYSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21 ZINC001042285403 779988196 /nfs/dbraw/zinc/98/81/96/779988196.db2.gz NTRGAKGSOAXMRW-OCCSQVGLSA-N 1 1 330.388 0.295 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC001042301682 780023255 /nfs/dbraw/zinc/02/32/55/780023255.db2.gz LXRUDRCLLDKOEB-UONOGXRCSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 ZINC001042302437 780024160 /nfs/dbraw/zinc/02/41/60/780024160.db2.gz SOUIJNQHFWKSNK-KGLIPLIRSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001042303038 780024251 /nfs/dbraw/zinc/02/42/51/780024251.db2.gz CJEXHNOXZSCJCC-KBPBESRZSA-N 1 1 344.415 0.668 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001042303038 780024253 /nfs/dbraw/zinc/02/42/53/780024253.db2.gz CJEXHNOXZSCJCC-KBPBESRZSA-N 1 1 344.415 0.668 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 ZINC001042312076 780052073 /nfs/dbraw/zinc/05/20/73/780052073.db2.gz MUVLHGKMUXVXTD-AAEUAGOBSA-N 1 1 328.376 0.140 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc4nc(C)nn43)C[C@@H]21 ZINC001042314303 780058087 /nfs/dbraw/zinc/05/80/87/780058087.db2.gz ZXIUYBNRMOGHCH-ZBFHGGJFSA-N 1 1 338.415 0.992 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]21 ZINC001042354448 780126981 /nfs/dbraw/zinc/12/69/81/780126981.db2.gz SHDNWMLUKOHRNJ-OCCSQVGLSA-N 1 1 330.388 0.046 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 ZINC001042362315 780147228 /nfs/dbraw/zinc/14/72/28/780147228.db2.gz JKEGHNKXJLADFC-ZFWWWQNUSA-N 1 1 326.400 0.740 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070158531 790781827 /nfs/dbraw/zinc/78/18/27/790781827.db2.gz OKLJNOKYEYNQNR-UPJWGTAASA-N 1 1 325.800 0.409 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[C@H]([NH2+]Cc3cnon3)C23CCC3)nn1 ZINC001078743949 780422853 /nfs/dbraw/zinc/42/28/53/780422853.db2.gz LARXBPNASBYCFQ-UONOGXRCSA-N 1 1 343.391 0.678 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH]cn1 ZINC001078757161 780450104 /nfs/dbraw/zinc/45/01/04/780450104.db2.gz ZYUDOOVMAFIDDR-ZFWWWQNUSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH]cn1 ZINC001078757161 780450108 /nfs/dbraw/zinc/45/01/08/780450108.db2.gz ZYUDOOVMAFIDDR-ZFWWWQNUSA-N 1 1 331.420 0.061 20 30 ECEDMO C=CCOCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001078885389 780583552 /nfs/dbraw/zinc/58/35/52/780583552.db2.gz ZKRZXVGBDKXAKE-JKSUJKDBSA-N 1 1 337.464 0.980 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001078948897 780643470 /nfs/dbraw/zinc/64/34/70/780643470.db2.gz SKFSCBFAKUWKKY-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001078948897 780643473 /nfs/dbraw/zinc/64/34/73/780643473.db2.gz SKFSCBFAKUWKKY-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001078964814 780660844 /nfs/dbraw/zinc/66/08/44/780660844.db2.gz WRJJCKCQVNTWEX-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO CN(c1ccnc(C#N)n1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001068657235 790818906 /nfs/dbraw/zinc/81/89/06/790818906.db2.gz OHMWDHMQEDXBBN-CQSZACIVSA-N 1 1 328.420 0.870 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001042776598 780797054 /nfs/dbraw/zinc/79/70/54/780797054.db2.gz OCOZIFFPFKGWCE-OWCLPIDISA-N 1 1 343.431 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccc(CO)cc2)C1 ZINC001042959815 781100971 /nfs/dbraw/zinc/10/09/71/781100971.db2.gz FNOFZJDRWVYLCB-IBGZPJMESA-N 1 1 341.455 0.919 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccc(CO)cc2)C1 ZINC001042959815 781100976 /nfs/dbraw/zinc/10/09/76/781100976.db2.gz FNOFZJDRWVYLCB-IBGZPJMESA-N 1 1 341.455 0.919 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H]2CCN(CC=C)C2=O)C1 ZINC001042961087 781104065 /nfs/dbraw/zinc/10/40/65/781104065.db2.gz XQGURBMTVWCNKV-IRXDYDNUSA-N 1 1 344.459 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H]2CCN(CC=C)C2=O)C1 ZINC001042961087 781104071 /nfs/dbraw/zinc/10/40/71/781104071.db2.gz XQGURBMTVWCNKV-IRXDYDNUSA-N 1 1 344.459 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nc(CC)no2)C1 ZINC001042963544 781106491 /nfs/dbraw/zinc/10/64/91/781106491.db2.gz ROLDBRWVMIVZRL-AWEZNQCLSA-N 1 1 331.420 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nc(CC)no2)C1 ZINC001042963544 781106496 /nfs/dbraw/zinc/10/64/96/781106496.db2.gz ROLDBRWVMIVZRL-AWEZNQCLSA-N 1 1 331.420 0.372 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042970042 781117946 /nfs/dbraw/zinc/11/79/46/781117946.db2.gz GYXSEPRMYKECLS-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001042973917 781122555 /nfs/dbraw/zinc/12/25/55/781122555.db2.gz DVMIEHIJTCLDGA-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542446 781245203 /nfs/dbraw/zinc/24/52/03/781245203.db2.gz VIIHJXWKUOQMBW-MLGOLLRUSA-N 1 1 339.399 0.835 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581094 781286275 /nfs/dbraw/zinc/28/62/75/781286275.db2.gz DINCWBZBYINWNX-IVMMDQJWSA-N 1 1 342.403 0.194 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079589694 781292151 /nfs/dbraw/zinc/29/21/51/781292151.db2.gz LYTVXNFRXHFABQ-UXIGCNINSA-N 1 1 339.403 0.715 20 30 ECEDMO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079600287 781306128 /nfs/dbraw/zinc/30/61/28/781306128.db2.gz ZQLDNCCIDKOBTL-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001041422773 781475111 /nfs/dbraw/zinc/47/51/11/781475111.db2.gz QISNKAARILAXQW-INIZCTEOSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041422788 781475502 /nfs/dbraw/zinc/47/55/02/781475502.db2.gz QUQNMTZQFGDZLY-DYVFJYSZSA-N 1 1 331.420 0.657 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O ZINC001077676934 781484452 /nfs/dbraw/zinc/48/44/52/781484452.db2.gz QEIADSZDCONUKM-ZTFGCOKTSA-N 1 1 342.443 0.704 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC001041476941 781591064 /nfs/dbraw/zinc/59/10/64/781591064.db2.gz VHUUDEXEMUOFCV-GOSISDBHSA-N 1 1 329.400 0.945 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001077743567 781632409 /nfs/dbraw/zinc/63/24/09/781632409.db2.gz DNVFEVJETSKOMJ-ZIAGYGMSSA-N 1 1 337.445 0.735 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C2)C1 ZINC001041512557 781672909 /nfs/dbraw/zinc/67/29/09/781672909.db2.gz NEICZVSWRDHKDG-YQVWRLOYSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2O)nn1 ZINC001077801496 781722200 /nfs/dbraw/zinc/72/22/00/781722200.db2.gz UNWSJXNIAVVOIX-GDBMZVCRSA-N 1 1 333.436 0.819 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2O)nn1 ZINC001077802406 781722992 /nfs/dbraw/zinc/72/29/92/781722992.db2.gz GPGAJQFOLFRCBJ-GDBMZVCRSA-N 1 1 331.420 0.739 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077811978 781738366 /nfs/dbraw/zinc/73/83/66/781738366.db2.gz VQFJDTBGDGCAHC-HZMVEIRTSA-N 1 1 348.447 0.416 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077811978 781738373 /nfs/dbraw/zinc/73/83/73/781738373.db2.gz VQFJDTBGDGCAHC-HZMVEIRTSA-N 1 1 348.447 0.416 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001041599626 781828317 /nfs/dbraw/zinc/82/83/17/781828317.db2.gz ISWHFUHPVDXKQD-KSSFIOAISA-N 1 1 327.432 0.478 20 30 ECEDMO C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCS3(=O)=O)C2)CC1 ZINC001040722432 783332386 /nfs/dbraw/zinc/33/23/86/783332386.db2.gz WHFPZGIVXYWQEM-OAHLLOKOSA-N 1 1 338.473 0.901 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 ZINC001040764713 783387928 /nfs/dbraw/zinc/38/79/28/783387928.db2.gz YCMYAAQNRPFMBK-CXAGYDPISA-N 1 1 347.419 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)CCC(=C)C)C1 ZINC001040047032 783435655 /nfs/dbraw/zinc/43/56/55/783435655.db2.gz IAMCXSKJIZHKBY-LPHOPBHVSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)CCC(=C)C)C1 ZINC001040047032 783435662 /nfs/dbraw/zinc/43/56/62/783435662.db2.gz IAMCXSKJIZHKBY-LPHOPBHVSA-N 1 1 347.459 0.520 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001040104066 783554021 /nfs/dbraw/zinc/55/40/21/783554021.db2.gz JLZYXCQSKRSNHN-KRWDZBQOSA-N 1 1 325.453 0.618 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070177871 783604732 /nfs/dbraw/zinc/60/47/32/783604732.db2.gz SKXLWNLGUJYXDY-HZSPNIEDSA-N 1 1 339.827 0.941 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001070192772 783626248 /nfs/dbraw/zinc/62/62/48/783626248.db2.gz OJDOBTQZOYIGSE-CABCVRRESA-N 1 1 342.428 0.690 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1n1ccnn1 ZINC001070213158 783668982 /nfs/dbraw/zinc/66/89/82/783668982.db2.gz GKWJCPDIKBDFFF-NEPJUHHUSA-N 1 1 349.782 0.182 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001070394678 783954271 /nfs/dbraw/zinc/95/42/71/783954271.db2.gz OOPYVTRJFCKLLL-NSHDSACASA-N 1 1 326.360 0.258 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nccnc2N)C1 ZINC001070400990 783969953 /nfs/dbraw/zinc/96/99/53/783969953.db2.gz HQFZAJGQCJRDOO-LLVKDONJSA-N 1 1 327.392 0.687 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nnn(C)c2C)C1 ZINC001070401362 783971565 /nfs/dbraw/zinc/97/15/65/783971565.db2.gz MXZLZYLSFOOYQF-CYBMUJFWSA-N 1 1 341.419 0.589 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001070403455 783978672 /nfs/dbraw/zinc/97/86/72/783978672.db2.gz SXKINUJQUCXFRC-CYBMUJFWSA-N 1 1 325.372 0.863 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001070406395 783987525 /nfs/dbraw/zinc/98/75/25/783987525.db2.gz UAZXZSORKLDKSX-CQSZACIVSA-N 1 1 343.431 0.317 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001070409710 783997385 /nfs/dbraw/zinc/99/73/85/783997385.db2.gz KMEKFTXMKONMLO-KGLIPLIRSA-N 1 1 345.447 0.870 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CCN(CC#N)C2)O1 ZINC001070412514 784005618 /nfs/dbraw/zinc/00/56/18/784005618.db2.gz BPVHAFYLWJKCEM-VNHYZAJKSA-N 1 1 346.435 0.058 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CCN(CC#N)C2)O1 ZINC001070412514 784005629 /nfs/dbraw/zinc/00/56/29/784005629.db2.gz BPVHAFYLWJKCEM-VNHYZAJKSA-N 1 1 346.435 0.058 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnc[nH]c2=O)C1 ZINC001070413147 784008816 /nfs/dbraw/zinc/00/88/16/784008816.db2.gz URMZUNOWTWOPHN-LLVKDONJSA-N 1 1 326.360 0.258 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cncn2C)C1 ZINC001070415822 784017554 /nfs/dbraw/zinc/01/75/54/784017554.db2.gz DVHFQGCLWFYPCA-CYBMUJFWSA-N 1 1 326.404 0.886 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001070417189 784021666 /nfs/dbraw/zinc/02/16/66/784021666.db2.gz WPFUGQQWDZIPNL-LLVKDONJSA-N 1 1 341.371 0.454 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001070421508 784032070 /nfs/dbraw/zinc/03/20/70/784032070.db2.gz NMIORFBSKINLOM-OJLVUWQFSA-N 1 1 328.416 0.731 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001070423140 784036023 /nfs/dbraw/zinc/03/60/23/784036023.db2.gz RFGLFKFXXOAIKM-GFCCVEGCSA-N 1 1 342.403 0.788 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001070423186 784037418 /nfs/dbraw/zinc/03/74/18/784037418.db2.gz SGXSOBNRRHQFCE-GFCCVEGCSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070423186 784037425 /nfs/dbraw/zinc/03/74/25/784037425.db2.gz SGXSOBNRRHQFCE-GFCCVEGCSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070423186 784037430 /nfs/dbraw/zinc/03/74/30/784037430.db2.gz SGXSOBNRRHQFCE-GFCCVEGCSA-N 1 1 342.403 0.591 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001070424584 784039363 /nfs/dbraw/zinc/03/93/63/784039363.db2.gz OXZIBIYEFDGKQP-YUTCNCBUSA-N 1 1 331.420 0.513 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001070429796 784048376 /nfs/dbraw/zinc/04/83/76/784048376.db2.gz RAJUMUYULHSCHK-LLVKDONJSA-N 1 1 340.387 0.189 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(C)n2)C1 ZINC001070431561 784053957 /nfs/dbraw/zinc/05/39/57/784053957.db2.gz YNRFLVUVVPNNDG-GFCCVEGCSA-N 1 1 329.408 0.834 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nonc2C)C1 ZINC001070436068 784066216 /nfs/dbraw/zinc/06/62/16/784066216.db2.gz ZTJVAVCSVHHVJI-LBPRGKRZSA-N 1 1 328.376 0.844 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001070905416 784086930 /nfs/dbraw/zinc/08/69/30/784086930.db2.gz YJARYRMKBLUPQS-UKRRQHHQSA-N 1 1 334.420 0.890 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001070917370 784111490 /nfs/dbraw/zinc/11/14/90/784111490.db2.gz WKRGTEVQBOBYEY-HUUCEWRRSA-N 1 1 337.464 0.862 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070478107 784161262 /nfs/dbraw/zinc/16/12/62/784161262.db2.gz KNOYOIINPBVKTR-GOEBONIOSA-N 1 1 328.420 0.846 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001070493265 784187257 /nfs/dbraw/zinc/18/72/57/784187257.db2.gz RDWDAGXNWGZQMO-XYJFISCASA-N 1 1 341.459 0.279 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC001070948441 784197520 /nfs/dbraw/zinc/19/75/20/784197520.db2.gz MKEOFWWIGXOIKO-HUUCEWRRSA-N 1 1 336.436 0.223 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(C)o2)CC1 ZINC001070955901 784219658 /nfs/dbraw/zinc/21/96/58/784219658.db2.gz BOMSZLFFIMKXPD-UHFFFAOYSA-N 1 1 331.416 0.804 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(C)o2)CC1 ZINC001070955901 784219662 /nfs/dbraw/zinc/21/96/62/784219662.db2.gz BOMSZLFFIMKXPD-UHFFFAOYSA-N 1 1 331.416 0.804 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC001070956702 784223116 /nfs/dbraw/zinc/22/31/16/784223116.db2.gz YYDNKTSRXMWWME-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC001070956702 784223123 /nfs/dbraw/zinc/22/31/23/784223123.db2.gz YYDNKTSRXMWWME-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccn(C)n2)CC1 ZINC001070963489 784243747 /nfs/dbraw/zinc/24/37/47/784243747.db2.gz TZMYOQPFMVWEHO-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)C(N)=O)CC1 ZINC001070970399 784268839 /nfs/dbraw/zinc/26/88/39/784268839.db2.gz CSFIQQMSZNSABQ-UHFFFAOYSA-N 1 1 338.452 0.115 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCC)CC1 ZINC001070970733 784271136 /nfs/dbraw/zinc/27/11/36/784271136.db2.gz UWHMINJOZSHCHK-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CCC)CC1 ZINC001070970733 784271144 /nfs/dbraw/zinc/27/11/44/784271144.db2.gz UWHMINJOZSHCHK-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001070971484 784274250 /nfs/dbraw/zinc/27/42/50/784274250.db2.gz BMPOQXFELBTBJR-UHFFFAOYSA-N 1 1 333.392 0.022 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001070971484 784274257 /nfs/dbraw/zinc/27/42/57/784274257.db2.gz BMPOQXFELBTBJR-UHFFFAOYSA-N 1 1 333.392 0.022 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)c2CC)CC1 ZINC001070977690 784296869 /nfs/dbraw/zinc/29/68/69/784296869.db2.gz CIGNHUBTDHPOMG-UHFFFAOYSA-N 1 1 347.463 0.823 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)c2CC)CC1 ZINC001070977690 784296873 /nfs/dbraw/zinc/29/68/73/784296873.db2.gz CIGNHUBTDHPOMG-UHFFFAOYSA-N 1 1 347.463 0.823 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2nc(C)cc2C)CC1 ZINC001070979022 784300850 /nfs/dbraw/zinc/30/08/50/784300850.db2.gz OOWKVDQNTWUROZ-UHFFFAOYSA-N 1 1 345.447 0.174 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2nc(C)cc2C)CC1 ZINC001070979022 784300857 /nfs/dbraw/zinc/30/08/57/784300857.db2.gz OOWKVDQNTWUROZ-UHFFFAOYSA-N 1 1 345.447 0.174 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](C[C@@H](C)O)CC2)cc1 ZINC001070985137 784325018 /nfs/dbraw/zinc/32/50/18/784325018.db2.gz HUEVXVQDEOZFPM-OAHLLOKOSA-N 1 1 343.427 0.313 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](C[C@@H](C)O)CC2)cc1 ZINC001070985137 784325026 /nfs/dbraw/zinc/32/50/26/784325026.db2.gz HUEVXVQDEOZFPM-OAHLLOKOSA-N 1 1 343.427 0.313 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070993200 784349344 /nfs/dbraw/zinc/34/93/44/784349344.db2.gz QJVINBPDLAVAKP-OAHLLOKOSA-N 1 1 334.420 0.891 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C(N)=O)co2)CC1 ZINC001070998689 784364974 /nfs/dbraw/zinc/36/49/74/784364974.db2.gz OHPFUOKBKIILHV-UHFFFAOYSA-N 1 1 348.403 0.219 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C(N)=O)co2)CC1 ZINC001070998689 784364983 /nfs/dbraw/zinc/36/49/83/784364983.db2.gz OHPFUOKBKIILHV-UHFFFAOYSA-N 1 1 348.403 0.219 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001070999991 784367465 /nfs/dbraw/zinc/36/74/65/784367465.db2.gz JCCCFOHHIUIDLR-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C(C)(F)F)CC1 ZINC001070999989 784369124 /nfs/dbraw/zinc/36/91/24/784369124.db2.gz JBSCXHHRRVTTHS-ZDUSSCGKSA-N 1 1 329.391 0.952 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C(C)(F)F)CC1 ZINC001070999989 784369132 /nfs/dbraw/zinc/36/91/32/784369132.db2.gz JBSCXHHRRVTTHS-ZDUSSCGKSA-N 1 1 329.391 0.952 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001071004742 784383219 /nfs/dbraw/zinc/38/32/19/784383219.db2.gz QDVSWIRSZOFMEH-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCN1CCOC[C@@H]1c1nc(CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001070593162 784398754 /nfs/dbraw/zinc/39/87/54/784398754.db2.gz RNCNYHSTBHPGCB-CYBMUJFWSA-N 1 1 346.435 0.076 20 30 ECEDMO C=CCN1CCOC[C@@H]1c1nnc(CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001070593162 784398764 /nfs/dbraw/zinc/39/87/64/784398764.db2.gz RNCNYHSTBHPGCB-CYBMUJFWSA-N 1 1 346.435 0.076 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(OC)nn2)CC1 ZINC001071012927 784411625 /nfs/dbraw/zinc/41/16/25/784411625.db2.gz KQPCBIMCWWFANO-UHFFFAOYSA-N 1 1 347.419 0.325 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(OC)nn2)CC1 ZINC001071012927 784411629 /nfs/dbraw/zinc/41/16/29/784411629.db2.gz KQPCBIMCWWFANO-UHFFFAOYSA-N 1 1 347.419 0.325 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2ccnc2)n1 ZINC001070600347 784415661 /nfs/dbraw/zinc/41/56/61/784415661.db2.gz RFXOCUGPEDJXTA-GJZGRUSLSA-N 1 1 342.403 0.441 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CCC=C)CC2)nc1 ZINC001071015884 784423851 /nfs/dbraw/zinc/42/38/51/784423851.db2.gz YJVWVMVEHPBTQL-UHFFFAOYSA-N 1 1 340.427 0.903 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CCC=C)CC2)nc1 ZINC001071015884 784423855 /nfs/dbraw/zinc/42/38/55/784423855.db2.gz YJVWVMVEHPBTQL-UHFFFAOYSA-N 1 1 340.427 0.903 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)C[C@H](C)O2 ZINC001071129318 784570048 /nfs/dbraw/zinc/57/00/48/784570048.db2.gz JBFZNCWOXROBQF-YJBOKZPZSA-N 1 1 329.400 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1)C[C@H](C)O2 ZINC001071142614 784593060 /nfs/dbraw/zinc/59/30/60/784593060.db2.gz RIVXUTJBTKESEO-YJBOKZPZSA-N 1 1 330.432 0.678 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1)C[C@@H](C)O2 ZINC001071142453 784593249 /nfs/dbraw/zinc/59/32/49/784593249.db2.gz QKVQJSRYBRZPAN-QAPCUYQASA-N 1 1 330.432 0.678 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nccnc1N)C[C@H](C)O2 ZINC001071147394 784603020 /nfs/dbraw/zinc/60/30/20/784603020.db2.gz PXYSLTZSPMJSLL-GUYCJALGSA-N 1 1 329.404 0.388 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070758019 784658266 /nfs/dbraw/zinc/65/82/66/784658266.db2.gz LKOGQKVTWMKVJN-OAHLLOKOSA-N 1 1 332.404 0.339 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1C)C[C@@H](C)O2 ZINC001071173831 784660485 /nfs/dbraw/zinc/66/04/85/784660485.db2.gz OIHVJZAPGMAMAA-BEFAXECRSA-N 1 1 344.459 0.986 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nccn1)C[C@@H](C)O2 ZINC001071174334 784661213 /nfs/dbraw/zinc/66/12/13/784661213.db2.gz WRCMLEUWJIWCIA-WBVHZDCISA-N 1 1 333.436 0.936 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3ccncc13)C[C@@H](C)O2 ZINC001071175695 784665111 /nfs/dbraw/zinc/66/51/11/784665111.db2.gz IZPVVVFEYSZODT-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3ccncc13)C[C@@H](C)O2 ZINC001071175695 784665116 /nfs/dbraw/zinc/66/51/16/784665116.db2.gz IZPVVVFEYSZODT-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)C[C@H](C)O2 ZINC001071176584 784666741 /nfs/dbraw/zinc/66/67/41/784666741.db2.gz XUZNKYPVPFAGIK-KSSFIOAISA-N 1 1 345.447 0.972 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)C[C@H](C)O2 ZINC001071176584 784666745 /nfs/dbraw/zinc/66/67/45/784666745.db2.gz XUZNKYPVPFAGIK-KSSFIOAISA-N 1 1 345.447 0.972 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@@H](C)O2 ZINC001071177455 784669204 /nfs/dbraw/zinc/66/92/04/784669204.db2.gz AIIAGJVYKZWXHM-KDOFPFPSSA-N 1 1 344.415 0.109 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@H](C)O2 ZINC001071178104 784671133 /nfs/dbraw/zinc/67/11/33/784671133.db2.gz KRMFQDDBQRRZGM-KSSFIOAISA-N 1 1 346.431 0.662 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1[nH]c(=O)[nH]c1C)C[C@@H](C)O2 ZINC001071178576 784672866 /nfs/dbraw/zinc/67/28/66/784672866.db2.gz RXINEEDJXVBMME-SJKOYZFVSA-N 1 1 332.404 0.752 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn3c(n1)COCC3)C[C@H](C)O2 ZINC001071180214 784677851 /nfs/dbraw/zinc/67/78/51/784677851.db2.gz IMNBRSOVONVKBL-KSSFIOAISA-N 1 1 346.431 0.905 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc[nH]c1=O)C[C@@H](C)O2 ZINC001071180852 784679185 /nfs/dbraw/zinc/67/91/85/784679185.db2.gz SGITZLAXTPNKTC-CXAGYDPISA-N 1 1 330.388 0.511 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)C[C@@H](C)O2 ZINC001071185624 784688900 /nfs/dbraw/zinc/68/89/00/784688900.db2.gz JPXLAYYUTCPSJG-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)C[C@@H](C)O2 ZINC001071185624 784688905 /nfs/dbraw/zinc/68/89/05/784688905.db2.gz JPXLAYYUTCPSJG-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071189129 784694546 /nfs/dbraw/zinc/69/45/46/784694546.db2.gz GMECVBLOTKQZBE-HNAYVOBHSA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071189129 784694551 /nfs/dbraw/zinc/69/45/51/784694551.db2.gz GMECVBLOTKQZBE-HNAYVOBHSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@H](C)O2 ZINC001071191228 784701968 /nfs/dbraw/zinc/70/19/68/784701968.db2.gz CNBKHVWDQREVDI-YVEFUNNKSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@H](C)O2 ZINC001071191228 784701970 /nfs/dbraw/zinc/70/19/70/784701970.db2.gz CNBKHVWDQREVDI-YVEFUNNKSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@H](C)O2 ZINC001071193165 784705931 /nfs/dbraw/zinc/70/59/31/784705931.db2.gz XSZYRMGLKTVHSA-UGSOOPFHSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cncnc1)C[C@H](C)O2 ZINC001071193071 784706368 /nfs/dbraw/zinc/70/63/68/784706368.db2.gz WCDYZJFQUVJLRY-MAUKXSAKSA-N 1 1 328.416 0.734 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccnc1)C[C@@H](C)O2 ZINC001071194439 784709321 /nfs/dbraw/zinc/70/93/21/784709321.db2.gz JGZZDCLEUPPQGC-SJLPKXTDSA-N 1 1 330.432 0.988 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CCO)C3)C2)cc1 ZINC001071197605 784715877 /nfs/dbraw/zinc/71/58/77/784715877.db2.gz VTSGBWVBWBEQDE-KXBFYZLASA-N 1 1 328.412 0.966 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@@H](C)O2 ZINC001071202220 784725248 /nfs/dbraw/zinc/72/52/48/784725248.db2.gz RJEBWPUDZMQJRH-DYVFJYSZSA-N 1 1 332.404 0.651 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cn1)C[C@@H](C)O2 ZINC001071203970 784729659 /nfs/dbraw/zinc/72/96/59/784729659.db2.gz KRTKGCRUCSHCJG-BEFAXECRSA-N 1 1 343.427 0.958 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@@H](C)O2 ZINC001071211344 784746263 /nfs/dbraw/zinc/74/62/63/784746263.db2.gz GGLMYIMVDPJBAQ-FZKQIMNGSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3cccnn31)C[C@@H](C)O2 ZINC001071216725 784756728 /nfs/dbraw/zinc/75/67/28/784756728.db2.gz VJSALOGZUQJMSI-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3cccnn31)C[C@H](C)O2 ZINC001071216724 784757164 /nfs/dbraw/zinc/75/71/64/784757164.db2.gz VJSALOGZUQJMSI-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)s1)C[C@H](C)O2 ZINC001071218482 784762272 /nfs/dbraw/zinc/76/22/72/784762272.db2.gz NWYBFGLKQRTOEK-SJCJKPOMSA-N 1 1 347.440 0.786 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)s1)C[C@H](C)O2 ZINC001071218482 784762276 /nfs/dbraw/zinc/76/22/76/784762276.db2.gz NWYBFGLKQRTOEK-SJCJKPOMSA-N 1 1 347.440 0.786 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001070866671 784769675 /nfs/dbraw/zinc/76/96/75/784769675.db2.gz GMBMWRJJXMKNAN-SJORKVTESA-N 1 1 348.491 0.531 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnccn1)C[C@@H](C)O2 ZINC001071225749 784782314 /nfs/dbraw/zinc/78/23/14/784782314.db2.gz OZNXSPCUVBJVQX-QAPCUYQASA-N 1 1 328.416 0.734 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@@H](C)O2 ZINC001071232166 784796357 /nfs/dbraw/zinc/79/63/57/784796357.db2.gz ZYLVXGMKMKKFMZ-DNVCBOLYSA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@H](C)O2 ZINC001071235777 784803905 /nfs/dbraw/zinc/80/39/05/784803905.db2.gz KCZLJZAVMJZMLF-KBXCAEBGSA-N 1 1 341.415 0.991 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)C[C@H](C)O2 ZINC001071238060 784807861 /nfs/dbraw/zinc/80/78/61/784807861.db2.gz IKRHZZQOGNLTSW-DOTOQJQBSA-N 1 1 333.436 0.936 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CCC1=O)C[C@@H](C)O2 ZINC001071238623 784808699 /nfs/dbraw/zinc/80/86/99/784808699.db2.gz OTNVLXDBVUPNMA-RDTXWAMCSA-N 1 1 349.431 0.403 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@H](C)O2 ZINC001071241608 784817247 /nfs/dbraw/zinc/81/72/47/784817247.db2.gz XUSPLIGIUQAPAT-UGSOOPFHSA-N 1 1 346.431 0.995 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@H](C)O2 ZINC001071244224 784821764 /nfs/dbraw/zinc/82/17/64/784821764.db2.gz RGCVUAALKFXJHY-KSSFIOAISA-N 1 1 346.431 0.053 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cc(C)cn1)C[C@@H](C)O2 ZINC001071244032 784822404 /nfs/dbraw/zinc/82/24/04/784822404.db2.gz ONELCDANCFKXLZ-SJLPKXTDSA-N 1 1 330.432 0.907 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@H](C)O2 ZINC001071244222 784822594 /nfs/dbraw/zinc/82/25/94/784822594.db2.gz RGCVUAALKFXJHY-KBXCAEBGSA-N 1 1 346.431 0.053 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ncn(C)n3)C2)C(=O)C1 ZINC001071264205 784884641 /nfs/dbraw/zinc/88/46/41/784884641.db2.gz QFSXCGPVWARHIJ-AWEZNQCLSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ncn(C)n3)C2)C(=O)C1 ZINC001071264205 784884642 /nfs/dbraw/zinc/88/46/42/784884642.db2.gz QFSXCGPVWARHIJ-AWEZNQCLSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)C(=O)C1 ZINC001071265391 784887700 /nfs/dbraw/zinc/88/77/00/784887700.db2.gz GZRFEQWKQHKNRF-BXWFABGCSA-N 1 1 347.459 0.734 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)C(=O)C1 ZINC001071265391 784887704 /nfs/dbraw/zinc/88/77/04/784887704.db2.gz GZRFEQWKQHKNRF-BXWFABGCSA-N 1 1 347.459 0.734 20 30 ECEDMO C#CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C(=O)C1 ZINC001071267566 784892536 /nfs/dbraw/zinc/89/25/36/784892536.db2.gz LSEGYARDXIUKME-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ncccn3)C2)C(=O)C1 ZINC001071275713 784916701 /nfs/dbraw/zinc/91/67/01/784916701.db2.gz NUNLQUQAJMKPJA-OAHLLOKOSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ncccn3)C2)C(=O)C1 ZINC001071275713 784916703 /nfs/dbraw/zinc/91/67/03/784916703.db2.gz NUNLQUQAJMKPJA-OAHLLOKOSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277144 784922371 /nfs/dbraw/zinc/92/23/71/784922371.db2.gz LMHCOZFNLSZZNS-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3nonc3C)C2)C(=O)C1 ZINC001071278526 784925607 /nfs/dbraw/zinc/92/56/07/784925607.db2.gz FBNLMIBNMHMGOO-AWEZNQCLSA-N 1 1 347.419 0.703 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3nonc3C)C2)C(=O)C1 ZINC001071278526 784925612 /nfs/dbraw/zinc/92/56/12/784925612.db2.gz FBNLMIBNMHMGOO-AWEZNQCLSA-N 1 1 347.419 0.703 20 30 ECEDMO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001068756770 791078032 /nfs/dbraw/zinc/07/80/32/791078032.db2.gz HNJLFOZGMKEBRA-AWEZNQCLSA-N 1 1 332.404 0.644 20 30 ECEDMO C=CCOCC(=O)N[C@H]1COC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001068764526 791099933 /nfs/dbraw/zinc/09/99/33/791099933.db2.gz SFQUEHTTYMSRJJ-CQSZACIVSA-N 1 1 339.436 0.015 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC[C@@H]1C ZINC001071896498 785290387 /nfs/dbraw/zinc/29/03/87/785290387.db2.gz GLRYGSBHLKKWHE-UONOGXRCSA-N 1 1 341.415 0.937 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC[C@H]1C ZINC001071608677 785390900 /nfs/dbraw/zinc/39/09/00/785390900.db2.gz CPKMDBPVMCERKS-UKRRQHHQSA-N 1 1 328.416 0.715 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C ZINC001071619724 785405990 /nfs/dbraw/zinc/40/59/90/785405990.db2.gz TWKGVTHQYNUERA-HOTGVXAUSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1C ZINC001071645694 785441887 /nfs/dbraw/zinc/44/18/87/785441887.db2.gz LQBPCMZPCHVNEM-WDEREUQCSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1C ZINC001071645694 785441892 /nfs/dbraw/zinc/44/18/92/785441892.db2.gz LQBPCMZPCHVNEM-WDEREUQCSA-N 1 1 325.390 0.143 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C ZINC001071987774 785482183 /nfs/dbraw/zinc/48/21/83/785482183.db2.gz FSKTYQIESHHXNE-ZIAGYGMSSA-N 1 1 336.436 0.816 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C ZINC001071989056 785485181 /nfs/dbraw/zinc/48/51/81/785485181.db2.gz NKCKPCQOLCNSDF-NWDGAFQWSA-N 1 1 330.392 0.576 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)CC[C@H]1C ZINC001072043966 785567305 /nfs/dbraw/zinc/56/73/05/785567305.db2.gz HLKSURKISWTGDO-TZMCWYRMSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)CC[C@H]1C ZINC001072043966 785567315 /nfs/dbraw/zinc/56/73/15/785567315.db2.gz HLKSURKISWTGDO-TZMCWYRMSA-N 1 1 326.404 0.957 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1C ZINC001072050481 785574613 /nfs/dbraw/zinc/57/46/13/785574613.db2.gz YFLZPCVUKQYASO-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@H]1C ZINC001071725088 785594254 /nfs/dbraw/zinc/59/42/54/785594254.db2.gz QCWJNMRWVZCYLB-DGCLKSJQSA-N 1 1 344.423 0.853 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001072061184 785598350 /nfs/dbraw/zinc/59/83/50/785598350.db2.gz ZGELLGZDFNFWKU-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](C)C2)nn1 ZINC001072124451 785704442 /nfs/dbraw/zinc/70/44/42/785704442.db2.gz ANZOXYNQHROOEL-KBPBESRZSA-N 1 1 348.451 0.383 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](C)C1 ZINC001072282840 785969146 /nfs/dbraw/zinc/96/91/46/785969146.db2.gz KJFFPVFEHLDIGE-WFASDCNBSA-N 1 1 331.420 0.803 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001072282935 785969224 /nfs/dbraw/zinc/96/92/24/785969224.db2.gz LUZTVAUMMCSZDN-SWLSCSKDSA-N 1 1 331.420 0.803 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)cn1 ZINC001072287358 785983824 /nfs/dbraw/zinc/98/38/24/785983824.db2.gz VTGBLFHPAUINPX-RHSMWYFYSA-N 1 1 342.443 0.980 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cc(C)no4)C3)C2)C1=O ZINC001072462194 786219550 /nfs/dbraw/zinc/21/95/50/786219550.db2.gz AVFPHOQCVYWVAB-AWEZNQCLSA-N 1 1 344.415 0.918 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)nc1 ZINC001072464961 786222810 /nfs/dbraw/zinc/22/28/10/786222810.db2.gz PBRYOKQWIMTBMG-WMLDXEAASA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C2)nc1 ZINC001072465484 786223536 /nfs/dbraw/zinc/22/35/36/786223536.db2.gz VWGBRTBHDQFJCW-RHSMWYFYSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cn[nH]c4)C3)C2)C1=O ZINC001072511640 786304162 /nfs/dbraw/zinc/30/41/62/786304162.db2.gz PIRGHOKVCOKYBU-AWEZNQCLSA-N 1 1 329.404 0.345 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cn[nH]c4)C3)C2)C1=O ZINC001072511641 786304555 /nfs/dbraw/zinc/30/45/55/786304555.db2.gz PIRGHOKVCOKYBU-CQSZACIVSA-N 1 1 329.404 0.345 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ncoc4C)C3)C2)C1=O ZINC001072528506 786330602 /nfs/dbraw/zinc/33/06/02/786330602.db2.gz NGZUGWQMDGAENE-CQSZACIVSA-N 1 1 344.415 0.918 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCN(C3CCC3)C1=O)C2 ZINC001072552659 786356905 /nfs/dbraw/zinc/35/69/05/786356905.db2.gz RGMIGZNOYOIGBP-DZGCQCFKSA-N 1 1 330.432 0.834 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)C2 ZINC001072553420 786358417 /nfs/dbraw/zinc/35/84/17/786358417.db2.gz ZGRSSDLVJCUFQH-KBPBESRZSA-N 1 1 339.461 0.505 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)C2 ZINC001072553421 786359150 /nfs/dbraw/zinc/35/91/50/786359150.db2.gz ZGRSSDLVJCUFQH-KGLIPLIRSA-N 1 1 339.461 0.505 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@@H]21 ZINC001074271581 786557885 /nfs/dbraw/zinc/55/78/85/786557885.db2.gz OKDSPIRWBUBCLE-JKSUJKDBSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@@H]21 ZINC001074271581 786557892 /nfs/dbraw/zinc/55/78/92/786557892.db2.gz OKDSPIRWBUBCLE-JKSUJKDBSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@@H]21 ZINC001074271579 786558636 /nfs/dbraw/zinc/55/86/36/786558636.db2.gz OKDSPIRWBUBCLE-HOTGVXAUSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@@H]21 ZINC001074271579 786558641 /nfs/dbraw/zinc/55/86/41/786558641.db2.gz OKDSPIRWBUBCLE-HOTGVXAUSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001073551228 786563000 /nfs/dbraw/zinc/56/30/00/786563000.db2.gz GBWVCNSRSPSKCC-UHFFFAOYSA-N 1 1 336.480 0.649 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001073551415 786563741 /nfs/dbraw/zinc/56/37/41/786563741.db2.gz MFRXCDSEWGOREZ-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001074274171 786563832 /nfs/dbraw/zinc/56/38/32/786563832.db2.gz RVBIISKZARTXLG-CABCVRRESA-N 1 1 346.431 0.878 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001074274171 786563838 /nfs/dbraw/zinc/56/38/38/786563838.db2.gz RVBIISKZARTXLG-CABCVRRESA-N 1 1 346.431 0.878 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)c3cocn3)C2)C1=O ZINC001073556870 786590746 /nfs/dbraw/zinc/59/07/46/786590746.db2.gz QSAWERAECVFKAN-UKRRQHHQSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)c3cocn3)C2)C1=O ZINC001073556870 786590755 /nfs/dbraw/zinc/59/07/55/786590755.db2.gz QSAWERAECVFKAN-UKRRQHHQSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 ZINC001074285216 786593887 /nfs/dbraw/zinc/59/38/87/786593887.db2.gz XELCSXVNTWPYML-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 ZINC001074285216 786593895 /nfs/dbraw/zinc/59/38/95/786593895.db2.gz XELCSXVNTWPYML-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 ZINC001074285256 786594099 /nfs/dbraw/zinc/59/40/99/786594099.db2.gz XYLUXIZBQNQHPJ-HOTGVXAUSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 ZINC001074285256 786594106 /nfs/dbraw/zinc/59/41/06/786594106.db2.gz XYLUXIZBQNQHPJ-HOTGVXAUSA-N 1 1 331.416 0.877 20 30 ECEDMO CC(C)C#CC(=O)N1CCN(C2CN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001073570730 786640948 /nfs/dbraw/zinc/64/09/48/786640948.db2.gz AAYULTXMROGEFU-UHFFFAOYSA-N 1 1 348.491 0.341 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001074354564 786740323 /nfs/dbraw/zinc/74/03/23/786740323.db2.gz RZDSTVUWDSJJJJ-GJZGRUSLSA-N 1 1 348.451 0.674 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001074354564 786740329 /nfs/dbraw/zinc/74/03/29/786740329.db2.gz RZDSTVUWDSJJJJ-GJZGRUSLSA-N 1 1 348.451 0.674 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c(CC)c(CC)n[nH]c2=O)C1 ZINC001073627401 786806536 /nfs/dbraw/zinc/80/65/36/786806536.db2.gz RJGVCMFTJZEGKH-CYBMUJFWSA-N 1 1 346.431 0.761 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(CC)c(CC)n[nH]c2=O)C1 ZINC001073627401 786806547 /nfs/dbraw/zinc/80/65/47/786806547.db2.gz RJGVCMFTJZEGKH-CYBMUJFWSA-N 1 1 346.431 0.761 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073630313 786815419 /nfs/dbraw/zinc/81/54/19/786815419.db2.gz RRZFOBCQGZDDOK-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073630313 786815435 /nfs/dbraw/zinc/81/54/35/786815435.db2.gz RRZFOBCQGZDDOK-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@@H]3C2)nc1 ZINC001074385621 786821005 /nfs/dbraw/zinc/82/10/05/786821005.db2.gz VGOAUVSRGAZBPD-IAGOWNOFSA-N 1 1 329.400 0.625 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@@H]3C2)nc1 ZINC001074385621 786821015 /nfs/dbraw/zinc/82/10/15/786821015.db2.gz VGOAUVSRGAZBPD-IAGOWNOFSA-N 1 1 329.400 0.625 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(N(C)C)nc2)C1 ZINC001073672839 786934625 /nfs/dbraw/zinc/93/46/25/786934625.db2.gz QNESRSSTUORGTE-INIZCTEOSA-N 1 1 330.432 0.992 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC001073677474 786947740 /nfs/dbraw/zinc/94/77/40/786947740.db2.gz IABRTTQUQDCGJW-ZDUSSCGKSA-N 1 1 327.388 0.754 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC001073677474 786947747 /nfs/dbraw/zinc/94/77/47/786947747.db2.gz IABRTTQUQDCGJW-ZDUSSCGKSA-N 1 1 327.388 0.754 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001073690738 786977130 /nfs/dbraw/zinc/97/71/30/786977130.db2.gz FXRCEBOMZHEOHR-HNNXBMFYSA-N 1 1 334.420 0.374 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001073691460 786978742 /nfs/dbraw/zinc/97/87/42/786978742.db2.gz VIWMFLSYSUTYJT-HNNXBMFYSA-N 1 1 336.436 0.926 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001073697023 786991186 /nfs/dbraw/zinc/99/11/86/786991186.db2.gz WPFFPMTXYMQGLQ-NSHDSACASA-N 1 1 326.347 0.812 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001073697023 786991192 /nfs/dbraw/zinc/99/11/92/786991192.db2.gz WPFFPMTXYMQGLQ-NSHDSACASA-N 1 1 326.347 0.812 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001073713379 787030543 /nfs/dbraw/zinc/03/05/43/787030543.db2.gz ZWMSMYKQQSYPEX-VVLHAWIVSA-N 1 1 338.448 0.821 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001073714560 787035917 /nfs/dbraw/zinc/03/59/17/787035917.db2.gz TYLXBBBXOIWCDK-MRXNPFEDSA-N 1 1 342.403 0.669 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001073722261 787055360 /nfs/dbraw/zinc/05/53/60/787055360.db2.gz IKMRZGTYUPDGJM-CQSZACIVSA-N 1 1 330.392 0.521 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccnc2-n2cccn2)C1 ZINC001073723165 787061942 /nfs/dbraw/zinc/06/19/42/787061942.db2.gz BBVJWCMFDNWSNE-OAHLLOKOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccnc2-n2cccn2)C1 ZINC001073723165 787061955 /nfs/dbraw/zinc/06/19/55/787061955.db2.gz BBVJWCMFDNWSNE-OAHLLOKOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001073740232 787093666 /nfs/dbraw/zinc/09/36/66/787093666.db2.gz COOFXNQZGJNSDA-DOTOQJQBSA-N 1 1 344.459 0.755 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001073743295 787101399 /nfs/dbraw/zinc/10/13/99/787101399.db2.gz RXRZLWCOLJDTLG-OAHLLOKOSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001073743295 787101407 /nfs/dbraw/zinc/10/14/07/787101407.db2.gz RXRZLWCOLJDTLG-OAHLLOKOSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001073745962 787111345 /nfs/dbraw/zinc/11/13/45/787111345.db2.gz LUTXBRJEOPXFJA-CABCVRRESA-N 1 1 330.432 0.680 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001073745962 787111354 /nfs/dbraw/zinc/11/13/54/787111354.db2.gz LUTXBRJEOPXFJA-CABCVRRESA-N 1 1 330.432 0.680 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)CC2 ZINC001073745908 787111841 /nfs/dbraw/zinc/11/18/41/787111841.db2.gz KPGTYUKMHALENV-HOCLYGCPSA-N 1 1 331.420 0.485 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001073749246 787124734 /nfs/dbraw/zinc/12/47/34/787124734.db2.gz UQRMCNHIMWUYLL-AEFFLSMTSA-N 1 1 344.459 0.984 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCn2cccn2)CCCO1 ZINC001073775424 787182156 /nfs/dbraw/zinc/18/21/56/787182156.db2.gz SOOBWKDNAQPHFD-BBWFWOEESA-N 1 1 348.447 0.681 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001073791208 787205666 /nfs/dbraw/zinc/20/56/66/787205666.db2.gz CSMLSEIFGZMISA-LBPRGKRZSA-N 1 1 348.378 0.770 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001073791208 787205670 /nfs/dbraw/zinc/20/56/70/787205670.db2.gz CSMLSEIFGZMISA-LBPRGKRZSA-N 1 1 348.378 0.770 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073796448 787219253 /nfs/dbraw/zinc/21/92/53/787219253.db2.gz MYFGFWGTRKQQAS-LSDHHAIUSA-N 1 1 344.477 0.594 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073796448 787219258 /nfs/dbraw/zinc/21/92/58/787219258.db2.gz MYFGFWGTRKQQAS-LSDHHAIUSA-N 1 1 344.477 0.594 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001073804033 787234083 /nfs/dbraw/zinc/23/40/83/787234083.db2.gz ARYJDXPVPIWUOR-AWEZNQCLSA-N 1 1 344.415 0.904 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)COC)CCCO2)nn1 ZINC001073807072 787237581 /nfs/dbraw/zinc/23/75/81/787237581.db2.gz FAZZGTFZMCSYOQ-UONOGXRCSA-N 1 1 337.424 0.320 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnn2C2CCOCC2)C1 ZINC001073807550 787238909 /nfs/dbraw/zinc/23/89/09/787238909.db2.gz SMQULOGXBIGXBW-INIZCTEOSA-N 1 1 346.431 0.689 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnn2C2CCOCC2)C1 ZINC001073807550 787238910 /nfs/dbraw/zinc/23/89/10/787238910.db2.gz SMQULOGXBIGXBW-INIZCTEOSA-N 1 1 346.431 0.689 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001073810104 787241851 /nfs/dbraw/zinc/24/18/51/787241851.db2.gz IQTGBMKAYFERMQ-LLVKDONJSA-N 1 1 348.432 0.935 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2C[N@@H+](C[C@@H](C)O)CCCO2)nn1 ZINC001073812841 787244626 /nfs/dbraw/zinc/24/46/26/787244626.db2.gz GHUHNPDMLKOCEN-KGLIPLIRSA-N 1 1 337.424 0.056 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001074579736 787311419 /nfs/dbraw/zinc/31/14/19/787311419.db2.gz SSHKESIVJRUKGF-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074581994 787322663 /nfs/dbraw/zinc/32/26/63/787322663.db2.gz BUNIWKXTZPVJOI-OAHLLOKOSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nc3ccccn3c2F)C1 ZINC001073840575 787324559 /nfs/dbraw/zinc/32/45/59/787324559.db2.gz VTSICRXRZVZERH-CYBMUJFWSA-N 1 1 330.363 0.927 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2nc3ccccn3c2F)C1 ZINC001073840575 787324569 /nfs/dbraw/zinc/32/45/69/787324569.db2.gz VTSICRXRZVZERH-CYBMUJFWSA-N 1 1 330.363 0.927 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074593510 787350100 /nfs/dbraw/zinc/35/01/00/787350100.db2.gz VADUEWUFSMSGFQ-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074594423 787355824 /nfs/dbraw/zinc/35/58/24/787355824.db2.gz ZMHIIDYEXIFNJY-UHFFFAOYSA-N 1 1 344.415 0.075 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001073850747 787360500 /nfs/dbraw/zinc/36/05/00/787360500.db2.gz KFEYZRSXKLJTGV-INIZCTEOSA-N 1 1 344.415 0.892 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001073850747 787360509 /nfs/dbraw/zinc/36/05/09/787360509.db2.gz KFEYZRSXKLJTGV-INIZCTEOSA-N 1 1 344.415 0.892 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074603751 787376371 /nfs/dbraw/zinc/37/63/71/787376371.db2.gz XHJJIDFRUWEJEU-HUUCEWRRSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001073862484 787391295 /nfs/dbraw/zinc/39/12/95/787391295.db2.gz SKUBLJOGYJXPBY-HNNXBMFYSA-N 1 1 346.431 0.838 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001073862649 787391710 /nfs/dbraw/zinc/39/17/10/787391710.db2.gz VKXUCRDFWNDXKO-HNNXBMFYSA-N 1 1 343.427 0.842 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001073862649 787391720 /nfs/dbraw/zinc/39/17/20/787391720.db2.gz VKXUCRDFWNDXKO-HNNXBMFYSA-N 1 1 343.427 0.842 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@H](C)C(=O)NC)CCCO2)nc1 ZINC001073865571 787399578 /nfs/dbraw/zinc/39/95/78/787399578.db2.gz JWKAVNDKAMUBEE-HIFRSBDPSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@H](C)C(=O)NC)CCCO2)nc1 ZINC001073865571 787399593 /nfs/dbraw/zinc/39/95/93/787399593.db2.gz JWKAVNDKAMUBEE-HIFRSBDPSA-N 1 1 344.415 0.018 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001073873616 787416147 /nfs/dbraw/zinc/41/61/47/787416147.db2.gz FXWJCHXYIYRNRD-HUUCEWRRSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001073873616 787416156 /nfs/dbraw/zinc/41/61/56/787416156.db2.gz FXWJCHXYIYRNRD-HUUCEWRRSA-N 1 1 330.432 0.919 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001073895784 787463505 /nfs/dbraw/zinc/46/35/05/787463505.db2.gz BGXMPLJPUVNXII-GDBMZVCRSA-N 1 1 330.432 0.745 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001073898872 787473045 /nfs/dbraw/zinc/47/30/45/787473045.db2.gz DYSBUAWZTXYZJH-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001073898872 787473046 /nfs/dbraw/zinc/47/30/46/787473046.db2.gz DYSBUAWZTXYZJH-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001073899618 787475220 /nfs/dbraw/zinc/47/52/20/787475220.db2.gz YRFUVHZFYGRRMO-HZPDHXFCSA-N 1 1 347.463 0.932 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001073902043 787482703 /nfs/dbraw/zinc/48/27/03/787482703.db2.gz QDDQZINIAGRTTL-LSDHHAIUSA-N 1 1 333.436 0.624 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001073908255 787496741 /nfs/dbraw/zinc/49/67/41/787496741.db2.gz FYTLZVGZOLXNKL-CQSZACIVSA-N 1 1 332.404 0.577 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc(OCC)cn2)C1 ZINC001073914414 787518232 /nfs/dbraw/zinc/51/82/32/787518232.db2.gz RSZNEIAREKKGEC-AWEZNQCLSA-N 1 1 332.404 0.719 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(OCC)cn2)C1 ZINC001073914414 787518241 /nfs/dbraw/zinc/51/82/41/787518241.db2.gz RSZNEIAREKKGEC-AWEZNQCLSA-N 1 1 332.404 0.719 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001073915308 787521341 /nfs/dbraw/zinc/52/13/41/787521341.db2.gz XSPFMOCBQSGWKB-OAHLLOKOSA-N 1 1 346.431 0.967 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001074656574 787521436 /nfs/dbraw/zinc/52/14/36/787521436.db2.gz REZIQYGCEYFLKF-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)C[C@H]1C ZINC001074064442 787799299 /nfs/dbraw/zinc/79/92/99/787799299.db2.gz YNDNDSBPUIJQAX-TZMCWYRMSA-N 1 1 349.460 0.802 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001074091552 787860945 /nfs/dbraw/zinc/86/09/45/787860945.db2.gz YPOQGHUPSRUXRD-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC2CC2)C3)c1 ZINC001072592899 788386790 /nfs/dbraw/zinc/38/67/90/788386790.db2.gz TYDQFOJODUBXAK-UHFFFAOYSA-N 1 1 327.388 0.313 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC2CC2)C3)c1 ZINC001072592899 788386801 /nfs/dbraw/zinc/38/68/01/788386801.db2.gz TYDQFOJODUBXAK-UHFFFAOYSA-N 1 1 327.388 0.313 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)C1=O ZINC001072634697 788475403 /nfs/dbraw/zinc/47/54/03/788475403.db2.gz HJWROQJSAXDQIG-CQSZACIVSA-N 1 1 327.388 0.265 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C[N@H+](C)CCC)C2)c1 ZINC001072706408 788624624 /nfs/dbraw/zinc/62/46/24/788624624.db2.gz MZDOCPLXJSXBOU-PBHICJAKSA-N 1 1 342.443 0.981 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC001072712133 788636560 /nfs/dbraw/zinc/63/65/60/788636560.db2.gz IJEXUDLBFUUVTG-INIZCTEOSA-N 1 1 328.416 0.192 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001072721175 788648130 /nfs/dbraw/zinc/64/81/30/788648130.db2.gz HLNYRMGAQILGPS-MRXNPFEDSA-N 1 1 329.444 0.850 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC001072732830 788666100 /nfs/dbraw/zinc/66/61/00/788666100.db2.gz ZXHARUXHRZQXSV-CQSZACIVSA-N 1 1 341.415 0.320 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001074992489 788682197 /nfs/dbraw/zinc/68/21/97/788682197.db2.gz FILPEKGSMQSOIX-JKSUJKDBSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001074993566 788684654 /nfs/dbraw/zinc/68/46/54/788684654.db2.gz RDQFZIRAOJKVFI-GDBMZVCRSA-N 1 1 346.431 0.727 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001072748173 788707126 /nfs/dbraw/zinc/70/71/26/788707126.db2.gz VTHOCDBXXLDHBQ-PMPSAXMXSA-N 1 1 347.459 0.781 20 30 ECEDMO C#CCC[N@H+]1CCC2(CN(C(=O)c3coc(S(C)(=O)=O)c3)C2)C1 ZINC001072755218 788726516 /nfs/dbraw/zinc/72/65/16/788726516.db2.gz ZKRJGGXXZKHMMV-UHFFFAOYSA-N 1 1 336.413 0.854 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3coc(S(C)(=O)=O)c3)C2)C1 ZINC001072755218 788726522 /nfs/dbraw/zinc/72/65/22/788726522.db2.gz ZKRJGGXXZKHMMV-UHFFFAOYSA-N 1 1 336.413 0.854 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CN3CCCS3(=O)=O)C2)C1 ZINC001072800752 788830123 /nfs/dbraw/zinc/83/01/23/788830123.db2.gz ZCAPGIUMXCLSKU-UHFFFAOYSA-N 1 1 347.868 0.309 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CN3CCCS3(=O)=O)C2)C1 ZINC001072800752 788830136 /nfs/dbraw/zinc/83/01/36/788830136.db2.gz ZCAPGIUMXCLSKU-UHFFFAOYSA-N 1 1 347.868 0.309 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cn(-c4cccnc4)nn3)C2)C1 ZINC001072801975 788835420 /nfs/dbraw/zinc/83/54/20/788835420.db2.gz HMIFBMUDSLMRKR-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001075070085 788847828 /nfs/dbraw/zinc/84/78/28/788847828.db2.gz SLQJOZNABRUBMA-UKRRQHHQSA-N 1 1 334.420 0.890 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2 ZINC001072822358 788889876 /nfs/dbraw/zinc/88/98/76/788889876.db2.gz CTGYRKQKPZESCK-KRWDZBQOSA-N 1 1 341.459 0.515 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3coc(S(N)(=O)=O)c3)C2)C1 ZINC001072864833 788990395 /nfs/dbraw/zinc/99/03/95/788990395.db2.gz SZLSENKRZUCICU-UHFFFAOYSA-N 1 1 337.401 0.098 20 30 ECEDMO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075264040 789133915 /nfs/dbraw/zinc/13/39/15/789133915.db2.gz XTYIRTZKTPHCAI-NWDGAFQWSA-N 1 1 342.407 0.298 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCCC1)C2 ZINC001072994446 789245139 /nfs/dbraw/zinc/24/51/39/789245139.db2.gz BFLLGORWRSRIHB-CVEARBPZSA-N 1 1 347.459 0.734 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001073027979 789302511 /nfs/dbraw/zinc/30/25/11/789302511.db2.gz XGWYMPVTLWBCMS-UHFFFAOYSA-N 1 1 346.431 0.729 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073038793 789321716 /nfs/dbraw/zinc/32/17/16/789321716.db2.gz REHDOQYKOFJBOV-GJZGRUSLSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001073042008 789332531 /nfs/dbraw/zinc/33/25/31/789332531.db2.gz PMJIEXKPPLWNJC-UHFFFAOYSA-N 1 1 346.431 0.729 20 30 ECEDMO C#CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC001075408437 789333831 /nfs/dbraw/zinc/33/38/31/789333831.db2.gz GIYGUCWFGSWDJS-CRAIPNDOSA-N 1 1 345.447 0.746 20 30 ECEDMO C=CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001075415956 789344400 /nfs/dbraw/zinc/34/44/00/789344400.db2.gz QYCGSTRIUPBIPH-YOEHRIQHSA-N 1 1 333.436 0.909 20 30 ECEDMO C=CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001075415953 789344910 /nfs/dbraw/zinc/34/49/10/789344910.db2.gz QYCGSTRIUPBIPH-PBHICJAKSA-N 1 1 333.436 0.909 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1 ZINC001073052459 789350583 /nfs/dbraw/zinc/35/05/83/789350583.db2.gz UQBMNQGHBGYSCU-UHFFFAOYSA-N 1 1 332.404 0.085 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC001073054990 789357119 /nfs/dbraw/zinc/35/71/19/789357119.db2.gz RNKWNSXOFMXNAE-UHFFFAOYSA-N 1 1 325.372 0.606 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001073073833 789393490 /nfs/dbraw/zinc/39/34/90/789393490.db2.gz QBYILYMUBVTWEB-UHFFFAOYSA-N 1 1 330.388 0.296 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC001073083453 789410215 /nfs/dbraw/zinc/41/02/15/789410215.db2.gz BPXNRGWAYCYCOQ-UHFFFAOYSA-N 1 1 330.432 0.971 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C)on4)[C@@H]3C2)C1=O ZINC001075525940 789455368 /nfs/dbraw/zinc/45/53/68/789455368.db2.gz XJWHHKYYUWGKGV-CWRNSKLLSA-N 1 1 344.415 0.916 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC001073124636 789480751 /nfs/dbraw/zinc/48/07/51/789480751.db2.gz WMFLDLRNMASBFY-UHFFFAOYSA-N 1 1 340.811 0.167 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC001073124636 789480755 /nfs/dbraw/zinc/48/07/55/789480755.db2.gz WMFLDLRNMASBFY-UHFFFAOYSA-N 1 1 340.811 0.167 20 30 ECEDMO C=CC[N@@H+]1CCC2(CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001073150169 789531452 /nfs/dbraw/zinc/53/14/52/789531452.db2.gz NNTKMVAQLDAARR-CQSZACIVSA-N 1 1 327.450 0.179 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(C)(NC(=O)CSCC#N)CC1 ZINC001073158945 789550814 /nfs/dbraw/zinc/55/08/14/789550814.db2.gz XMRNUXXXLLBBCR-UHFFFAOYSA-N 1 1 349.460 0.946 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001075658642 789624067 /nfs/dbraw/zinc/62/40/67/789624067.db2.gz LYZQIPFDYFPNJO-OSAQELSMSA-N 1 1 329.404 0.509 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2N(c2ccc(C#N)nn2)CC3)C1 ZINC001069266272 789717846 /nfs/dbraw/zinc/71/78/46/789717846.db2.gz JTFFPHSYVOJXAK-DHSIGJKJSA-N 1 1 340.431 0.918 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C#CC3CC3)C(C)(C)C2)C1 ZINC001073388993 789780550 /nfs/dbraw/zinc/78/05/50/789780550.db2.gz SSFHTISCDUWTEL-HOTGVXAUSA-N 1 1 347.459 0.474 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C#CC3CC3)C(C)(C)C2)C1 ZINC001073388993 789780555 /nfs/dbraw/zinc/78/05/55/789780555.db2.gz SSFHTISCDUWTEL-HOTGVXAUSA-N 1 1 347.459 0.474 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](Nc3cncc(C#N)n3)C(C)(C)C2)C1 ZINC001069572608 789908771 /nfs/dbraw/zinc/90/87/71/789908771.db2.gz ZLTMAGHERDWGLT-TZMCWYRMSA-N 1 1 328.420 0.949 20 30 ECEDMO Cc1ccc(C#N)c(NC2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001069719269 789986646 /nfs/dbraw/zinc/98/66/46/789986646.db2.gz IRXUUUQBTAFQSS-UYSNPLJNSA-N 1 1 343.431 0.994 20 30 ECEDMO Cc1ccc(C#N)c(NC2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001069719269 789986652 /nfs/dbraw/zinc/98/66/52/789986652.db2.gz IRXUUUQBTAFQSS-UYSNPLJNSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC(Nc3cnc(C#N)cn3)C2)O1 ZINC001069801573 790041451 /nfs/dbraw/zinc/04/14/51/790041451.db2.gz LUPFNJIEVIBGNK-BNQIPGGESA-N 1 1 344.419 0.469 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC(Nc3cnc(C#N)cn3)C2)O1 ZINC001069801573 790041458 /nfs/dbraw/zinc/04/14/58/790041458.db2.gz LUPFNJIEVIBGNK-BNQIPGGESA-N 1 1 344.419 0.469 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2=CCN(c3ccncc3C#N)CC2)C1 ZINC001069815646 790050211 /nfs/dbraw/zinc/05/02/11/790050211.db2.gz RNVPLIIHJIZXJA-QGZVFWFLSA-N 1 1 341.415 0.537 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(c3ccncc3C#N)CC2)C1 ZINC001069815646 790050215 /nfs/dbraw/zinc/05/02/15/790050215.db2.gz RNVPLIIHJIZXJA-QGZVFWFLSA-N 1 1 341.415 0.537 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 ZINC001069831192 790064581 /nfs/dbraw/zinc/06/45/81/790064581.db2.gz YPWLWUQYIKLQKN-CJNGLKHVSA-N 1 1 340.431 0.799 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCNC(=O)C3)c2C1 ZINC001069857539 790107309 /nfs/dbraw/zinc/10/73/09/790107309.db2.gz YCGKEGJHFUJOPF-CQSZACIVSA-N 1 1 345.447 0.807 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCNC(=O)C3)c2C1 ZINC001069857539 790107312 /nfs/dbraw/zinc/10/73/12/790107312.db2.gz YCGKEGJHFUJOPF-CQSZACIVSA-N 1 1 345.447 0.807 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)c2C1 ZINC001069865087 790121882 /nfs/dbraw/zinc/12/18/82/790121882.db2.gz ULPOMCCNTPLHHR-INIZCTEOSA-N 1 1 329.448 0.823 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)c2C1 ZINC001069877137 790139491 /nfs/dbraw/zinc/13/94/91/790139491.db2.gz GDNKNUADDISVCQ-IRXDYDNUSA-N 1 1 341.459 0.965 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)c2C1 ZINC001069881660 790146520 /nfs/dbraw/zinc/14/65/20/790146520.db2.gz QQSALVXSMGCZPA-IBGZPJMESA-N 1 1 341.459 0.824 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001069929324 790201479 /nfs/dbraw/zinc/20/14/79/790201479.db2.gz CDWWWKWTQJWATR-WCVJEAGWSA-N 1 1 349.435 0.247 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001069929324 790201481 /nfs/dbraw/zinc/20/14/81/790201481.db2.gz CDWWWKWTQJWATR-WCVJEAGWSA-N 1 1 349.435 0.247 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929963 790202939 /nfs/dbraw/zinc/20/29/39/790202939.db2.gz WFABSCKVNBGHGM-FMKPAKJESA-N 1 1 343.435 0.733 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942288 790218327 /nfs/dbraw/zinc/21/83/27/790218327.db2.gz VKFQLTJBCWGCMI-PMPSAXMXSA-N 1 1 332.452 0.680 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069953761 790235823 /nfs/dbraw/zinc/23/58/23/790235823.db2.gz XYCXJQQYBZJQSX-KGLIPLIRSA-N 1 1 345.407 0.631 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069960161 790242874 /nfs/dbraw/zinc/24/28/74/790242874.db2.gz FYELPIYPKQLPBT-CVEARBPZSA-N 1 1 344.394 0.973 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069960161 790242879 /nfs/dbraw/zinc/24/28/79/790242879.db2.gz FYELPIYPKQLPBT-CVEARBPZSA-N 1 1 344.394 0.973 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069962107 790245722 /nfs/dbraw/zinc/24/57/22/790245722.db2.gz FKRLVTNMJBWODJ-CABCVRRESA-N 1 1 342.403 0.208 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001068839112 791235523 /nfs/dbraw/zinc/23/55/23/791235523.db2.gz MTVGBEVNMHUYMF-OAHLLOKOSA-N 1 1 344.415 0.481 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)C[C@@H](NC(=O)C#CC2CC2)CO3)C1 ZINC001068860707 791287458 /nfs/dbraw/zinc/28/74/58/791287458.db2.gz PWHWWVBGSDFXPB-HZPDHXFCSA-N 1 1 345.443 0.228 20 30 ECEDMO C=CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068994952 791564704 /nfs/dbraw/zinc/56/47/04/791564704.db2.gz SJGFDMHHVYVNTD-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3cncc(C#N)n3)C2)C1 ZINC001066675173 791965938 /nfs/dbraw/zinc/96/59/38/791965938.db2.gz CTYDBMBODUDEIB-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001066675253 791966023 /nfs/dbraw/zinc/96/60/23/791966023.db2.gz FSPREBGJBWZGHZ-ZBFHGGJFSA-N 1 1 343.431 0.934 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](CNc2ccc(C#N)nn2)C1 ZINC001066675554 791968850 /nfs/dbraw/zinc/96/88/50/791968850.db2.gz MZTXUPFOTCDDOE-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2nccc(C)n2)C1 ZINC001066690844 792000656 /nfs/dbraw/zinc/00/06/56/792000656.db2.gz YKFVPFDURJAZFF-CVEARBPZSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2nccc(C)n2)C1 ZINC001066690844 792000660 /nfs/dbraw/zinc/00/06/60/792000660.db2.gz YKFVPFDURJAZFF-CVEARBPZSA-N 1 1 343.431 0.522 20 30 ECEDMO CC(C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066697814 792015777 /nfs/dbraw/zinc/01/57/77/792015777.db2.gz DCTVVEQOCRTHJA-OAHLLOKOSA-N 1 1 328.420 0.727 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3ncccc3C#N)C2)C1 ZINC001067852633 792371690 /nfs/dbraw/zinc/37/16/90/792371690.db2.gz IUSYRZANAKFFQE-BCLQGDPASA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3ncccc3C#N)C2)C1 ZINC001067852633 792371701 /nfs/dbraw/zinc/37/17/01/792371701.db2.gz IUSYRZANAKFFQE-BCLQGDPASA-N 1 1 343.431 0.981 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CC(CNc2cncc(C#N)n2)C1 ZINC001067873734 792405158 /nfs/dbraw/zinc/40/51/58/792405158.db2.gz XXWDDYWJDQRQIY-UHFFFAOYSA-N 1 1 325.376 0.860 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCOC1 ZINC001066973378 792492181 /nfs/dbraw/zinc/49/21/81/792492181.db2.gz YHFGAVFAZXICJW-CVEARBPZSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCOC1 ZINC001066973378 792492185 /nfs/dbraw/zinc/49/21/85/792492185.db2.gz YHFGAVFAZXICJW-CVEARBPZSA-N 1 1 335.448 0.427 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H](Nc2cnc(C#N)cn2)C1 ZINC001067167214 792770056 /nfs/dbraw/zinc/77/00/56/792770056.db2.gz VAORIBONLXDLDJ-SMDDNHRTSA-N 1 1 325.376 0.812 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001067166988 792770232 /nfs/dbraw/zinc/77/02/32/792770232.db2.gz PSKIZPCMLWJBJT-WCQYABFASA-N 1 1 325.376 0.234 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001068175261 792787301 /nfs/dbraw/zinc/78/73/01/792787301.db2.gz LSSAYIIHXNGGDM-FPCVCCKLSA-N 1 1 325.416 0.703 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001068208645 792830789 /nfs/dbraw/zinc/83/07/89/792830789.db2.gz PLBGVBYIEAMWLW-HGTKMLMNSA-N 1 1 340.431 0.631 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001067293345 792947045 /nfs/dbraw/zinc/94/70/45/792947045.db2.gz UNOIZHXMPHRQDY-KRWDZBQOSA-N 1 1 336.436 0.826 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067293085 792947102 /nfs/dbraw/zinc/94/71/02/792947102.db2.gz IKDMAPKWPBGMCM-PBHICJAKSA-N 1 1 325.453 0.572 20 30 ECEDMO CC(C)C#CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067363584 793042003 /nfs/dbraw/zinc/04/20/03/793042003.db2.gz RTLRMTVJSHFXGF-HZPDHXFCSA-N 1 1 337.464 0.672 20 30 ECEDMO CC(C)C#CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067363584 793042009 /nfs/dbraw/zinc/04/20/09/793042009.db2.gz RTLRMTVJSHFXGF-HZPDHXFCSA-N 1 1 337.464 0.672 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001067431775 793149526 /nfs/dbraw/zinc/14/95/26/793149526.db2.gz WBLKRDQXQMJTPU-OAHLLOKOSA-N 1 1 337.464 0.816 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)C[N@@H+](C)C(C)C)CCO2 ZINC001068406372 793239456 /nfs/dbraw/zinc/23/94/56/793239456.db2.gz QVIPDDHOIJHWSC-UHFFFAOYSA-N 1 1 335.448 0.426 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001068407322 793244008 /nfs/dbraw/zinc/24/40/08/793244008.db2.gz YZQNODUWQMTRLQ-UHFFFAOYSA-N 1 1 347.459 0.570 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001068415897 793268790 /nfs/dbraw/zinc/26/87/90/793268790.db2.gz CBUHIWCCOHHAQM-INIZCTEOSA-N 1 1 347.459 0.427 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COC ZINC001267436257 837412690 /nfs/dbraw/zinc/41/26/90/837412690.db2.gz FADLOWALSNRVSJ-CEXWTWQISA-N 1 1 342.439 0.893 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001267483063 837539502 /nfs/dbraw/zinc/53/95/02/837539502.db2.gz YWPUCEJHMPZCFE-CYBMUJFWSA-N 1 1 349.435 0.354 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001267483063 837539510 /nfs/dbraw/zinc/53/95/10/837539510.db2.gz YWPUCEJHMPZCFE-CYBMUJFWSA-N 1 1 349.435 0.354 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CNC(=O)C(N)=O)c1ccccc1 ZINC001267518601 837664576 /nfs/dbraw/zinc/66/45/76/837664576.db2.gz APOIYUHFHWCYQL-OAHLLOKOSA-N 1 1 346.431 0.343 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ncnn2CC)C1 ZINC001267523726 837682844 /nfs/dbraw/zinc/68/28/44/837682844.db2.gz LPEFAPOZLQXLSF-WMLDXEAASA-N 1 1 335.452 0.953 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[C@H]1CC[N@H+](Cc2ncnn2CC)C1 ZINC001267523726 837682850 /nfs/dbraw/zinc/68/28/50/837682850.db2.gz LPEFAPOZLQXLSF-WMLDXEAASA-N 1 1 335.452 0.953 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001267540574 837724674 /nfs/dbraw/zinc/72/46/74/837724674.db2.gz PFSOBSOGROUOAY-IHRRRGAJSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001267540574 837724682 /nfs/dbraw/zinc/72/46/82/837724682.db2.gz PFSOBSOGROUOAY-IHRRRGAJSA-N 1 1 341.402 0.950 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001267545193 837735404 /nfs/dbraw/zinc/73/54/04/837735404.db2.gz PMJRHZGIGOTINS-QZTJIDSGSA-N 1 1 349.475 0.723 20 30 ECEDMO CCCN(C(=O)C[C@@H]1CCC(=O)N1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267547761 837742614 /nfs/dbraw/zinc/74/26/14/837742614.db2.gz QSTAGAPILSCUIL-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO CCCN(C(=O)C[C@@H]1CCC(=O)N1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267547761 837742623 /nfs/dbraw/zinc/74/26/23/837742623.db2.gz QSTAGAPILSCUIL-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)CSC)C1 ZINC001267554052 837758826 /nfs/dbraw/zinc/75/88/26/837758826.db2.gz DUJKDUYKAIYGJI-KBPBESRZSA-N 1 1 325.478 0.563 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)C2(C(F)F)CC2)C1 ZINC001267555910 837761799 /nfs/dbraw/zinc/76/17/99/837761799.db2.gz KHGKCGNKYIWJES-QWHCGFSZSA-N 1 1 341.402 0.998 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C#CC(C)C)C1 ZINC001267556613 837764566 /nfs/dbraw/zinc/76/45/66/837764566.db2.gz RUGJVCCFBHGWTE-OAHLLOKOSA-N 1 1 348.447 0.486 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CCNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001267560381 837771015 /nfs/dbraw/zinc/77/10/15/837771015.db2.gz JMLHWTNNGCKAMC-LBPRGKRZSA-N 1 1 328.372 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001267561899 837772837 /nfs/dbraw/zinc/77/28/37/837772837.db2.gz RQKCAERHRBSCES-RDJZCZTQSA-N 1 1 325.412 0.998 20 30 ECEDMO C=CCCC[N@H+]1CC[C@@H](CCNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001267569411 837796842 /nfs/dbraw/zinc/79/68/42/837796842.db2.gz UYTNWKVSHOZMSX-CQSZACIVSA-N 1 1 336.436 0.723 20 30 ECEDMO C=CCN1CCN(CCN(C)C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001267572021 837805958 /nfs/dbraw/zinc/80/59/58/837805958.db2.gz DHXCRLQHOWJVQO-UHFFFAOYSA-N 1 1 348.495 0.320 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)C1 ZINC001266246966 835552802 /nfs/dbraw/zinc/55/28/02/835552802.db2.gz ZFHJBKNWHYNICL-CQSZACIVSA-N 1 1 331.482 0.815 20 30 ECEDMO CCOCCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](CC#CCOC)C1 ZINC001266251487 835557115 /nfs/dbraw/zinc/55/71/15/835557115.db2.gz DGEXKQCCVGYNQK-CVEARBPZSA-N 1 1 326.437 0.658 20 30 ECEDMO CCOCCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001266251487 835557126 /nfs/dbraw/zinc/55/71/26/835557126.db2.gz DGEXKQCCVGYNQK-CVEARBPZSA-N 1 1 326.437 0.658 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCNC(=O)C2CCCCC2)CC1 ZINC001266257248 835563351 /nfs/dbraw/zinc/56/33/51/835563351.db2.gz ZPSIMRHCYURJCO-UHFFFAOYSA-N 1 1 348.491 0.440 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC001266272243 835594579 /nfs/dbraw/zinc/59/45/79/835594579.db2.gz YLVHRKHLJMCUHN-UHFFFAOYSA-N 1 1 346.479 0.794 20 30 ECEDMO CC(=O)Nc1cc(C(=O)NCCC[NH+]2CCN(CC#N)CC2)ccn1 ZINC001266276111 835601327 /nfs/dbraw/zinc/60/13/27/835601327.db2.gz YVJNILVLOCUMAD-UHFFFAOYSA-N 1 1 344.419 0.301 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnc2n1CCCCC2 ZINC001266288315 835631399 /nfs/dbraw/zinc/63/13/99/835631399.db2.gz FINFJKJWFLRRRE-AWEZNQCLSA-N 1 1 347.463 0.962 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnc2n1CCCCC2 ZINC001266288315 835631401 /nfs/dbraw/zinc/63/14/01/835631401.db2.gz FINFJKJWFLRRRE-AWEZNQCLSA-N 1 1 347.463 0.962 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccccc1 ZINC001266289054 835633008 /nfs/dbraw/zinc/63/30/08/835633008.db2.gz ZSNNVVMJRBJEBF-CQSZACIVSA-N 1 1 346.431 0.677 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1ccccc1 ZINC001266289054 835633011 /nfs/dbraw/zinc/63/30/11/835633011.db2.gz ZSNNVVMJRBJEBF-CQSZACIVSA-N 1 1 346.431 0.677 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1noc2ccccc12 ZINC001266295188 835642076 /nfs/dbraw/zinc/64/20/76/835642076.db2.gz CUZBAXDRGHTOMQ-ZDUSSCGKSA-N 1 1 342.399 0.556 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1noc2ccccc12 ZINC001266295188 835642078 /nfs/dbraw/zinc/64/20/78/835642078.db2.gz CUZBAXDRGHTOMQ-ZDUSSCGKSA-N 1 1 342.399 0.556 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1scnc1C(F)F ZINC001266296757 835644654 /nfs/dbraw/zinc/64/46/54/835644654.db2.gz AKHOYXZEUGQUOJ-VIFPVBQESA-N 1 1 344.387 0.880 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1scnc1C(F)F ZINC001266296757 835644658 /nfs/dbraw/zinc/64/46/58/835644658.db2.gz AKHOYXZEUGQUOJ-VIFPVBQESA-N 1 1 344.387 0.880 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC001266299455 835656497 /nfs/dbraw/zinc/65/64/97/835656497.db2.gz QRLMMOGZHMHQFD-UHFFFAOYSA-N 1 1 338.415 0.248 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CCCC1(F)F ZINC001266313230 835681282 /nfs/dbraw/zinc/68/12/82/835681282.db2.gz HETXDTBIUPPAKL-OLZOCXBDSA-N 1 1 329.391 0.998 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H]1CCCC1(F)F ZINC001266313230 835681285 /nfs/dbraw/zinc/68/12/85/835681285.db2.gz HETXDTBIUPPAKL-OLZOCXBDSA-N 1 1 329.391 0.998 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266320934 835693081 /nfs/dbraw/zinc/69/30/81/835693081.db2.gz JBALOAFCXSWXGY-HUUCEWRRSA-N 1 1 347.463 0.889 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001266325935 835704054 /nfs/dbraw/zinc/70/40/54/835704054.db2.gz VEUXTZPAKSNNLM-OCCSQVGLSA-N 1 1 347.390 0.776 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001266325935 835704062 /nfs/dbraw/zinc/70/40/62/835704062.db2.gz VEUXTZPAKSNNLM-OCCSQVGLSA-N 1 1 347.390 0.776 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001266327359 835706927 /nfs/dbraw/zinc/70/69/27/835706927.db2.gz DBNDCWVFOKHAMT-OLZOCXBDSA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001266327359 835706932 /nfs/dbraw/zinc/70/69/32/835706932.db2.gz DBNDCWVFOKHAMT-OLZOCXBDSA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[N@@H+](C)[C@@H]2CCN(C(C)C)C2=O)nn1 ZINC001266335179 835717981 /nfs/dbraw/zinc/71/79/81/835717981.db2.gz LMUOIOJPOYTUKI-OAHLLOKOSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)NCC[N@H+](C)[C@@H]2CCN(C(C)C)C2=O)nn1 ZINC001266335179 835717987 /nfs/dbraw/zinc/71/79/87/835717987.db2.gz LMUOIOJPOYTUKI-OAHLLOKOSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2scnc2C)C1 ZINC001266350846 835747763 /nfs/dbraw/zinc/74/77/63/835747763.db2.gz YKFQYSCLHKZJIR-CYBMUJFWSA-N 1 1 336.461 0.877 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2scnc2C)C1 ZINC001266350846 835747770 /nfs/dbraw/zinc/74/77/70/835747770.db2.gz YKFQYSCLHKZJIR-CYBMUJFWSA-N 1 1 336.461 0.877 20 30 ECEDMO C=CCCOCC(=O)N[C@H]1CC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001266363143 835774498 /nfs/dbraw/zinc/77/44/98/835774498.db2.gz FEIJYHUKOXNNRW-HNNXBMFYSA-N 1 1 344.477 0.594 20 30 ECEDMO C=CCCOCC(=O)N[C@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001266363143 835774508 /nfs/dbraw/zinc/77/45/08/835774508.db2.gz FEIJYHUKOXNNRW-HNNXBMFYSA-N 1 1 344.477 0.594 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001266363938 835774768 /nfs/dbraw/zinc/77/47/68/835774768.db2.gz OKQAKCWQIZLCGM-CQSZACIVSA-N 1 1 342.399 0.733 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001266363938 835774777 /nfs/dbraw/zinc/77/47/77/835774777.db2.gz OKQAKCWQIZLCGM-CQSZACIVSA-N 1 1 342.399 0.733 20 30 ECEDMO C=CCNC(=O)CN1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001266373295 835785053 /nfs/dbraw/zinc/78/50/53/835785053.db2.gz ACSLWUPBMKRTJA-INIZCTEOSA-N 1 1 348.491 0.744 20 30 ECEDMO C=CCNC(=O)CN1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001266373295 835785066 /nfs/dbraw/zinc/78/50/66/835785066.db2.gz ACSLWUPBMKRTJA-INIZCTEOSA-N 1 1 348.491 0.744 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC(C)C)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001266387862 835796699 /nfs/dbraw/zinc/79/66/99/835796699.db2.gz JQHYVVBZXQQFBR-CVEARBPZSA-N 1 1 337.464 0.768 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC(C)C)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001266387862 835796706 /nfs/dbraw/zinc/79/67/06/835796706.db2.gz JQHYVVBZXQQFBR-CVEARBPZSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCCCC(=O)NCC[N@@H+](CC)[C@H]1CCN(c2ccn(C)n2)C1=O ZINC001266388242 835797281 /nfs/dbraw/zinc/79/72/81/835797281.db2.gz WLKFXKJVHAQNMS-HNNXBMFYSA-N 1 1 345.447 0.767 20 30 ECEDMO C#CCCCC(=O)NCC[N@H+](CC)[C@H]1CCN(c2ccn(C)n2)C1=O ZINC001266388242 835797290 /nfs/dbraw/zinc/79/72/90/835797290.db2.gz WLKFXKJVHAQNMS-HNNXBMFYSA-N 1 1 345.447 0.767 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2cc(OC)ccn2)C1=O ZINC001266408534 835813671 /nfs/dbraw/zinc/81/36/71/835813671.db2.gz LPDZRRVGJFZSOD-INIZCTEOSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccn(C)c2)C1 ZINC001266451204 835854382 /nfs/dbraw/zinc/85/43/82/835854382.db2.gz BFBYJRUACMIBAZ-HNNXBMFYSA-N 1 1 330.432 0.559 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 ZINC001266451583 835854966 /nfs/dbraw/zinc/85/49/66/835854966.db2.gz FIMCDLAYVUIWFV-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001266455602 835858137 /nfs/dbraw/zinc/85/81/37/835858137.db2.gz IDWAUCUSKNRXFW-KBPBESRZSA-N 1 1 348.451 0.290 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001266457886 835861319 /nfs/dbraw/zinc/86/13/19/835861319.db2.gz OEEJBFGXDJNAED-OCCSQVGLSA-N 1 1 332.379 0.553 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001266457886 835861322 /nfs/dbraw/zinc/86/13/22/835861322.db2.gz OEEJBFGXDJNAED-OCCSQVGLSA-N 1 1 332.379 0.553 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001266460969 835862881 /nfs/dbraw/zinc/86/28/81/835862881.db2.gz GZNNYCYRMQEAJD-UKRRQHHQSA-N 1 1 346.431 0.381 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001266460969 835862888 /nfs/dbraw/zinc/86/28/88/835862888.db2.gz GZNNYCYRMQEAJD-UKRRQHHQSA-N 1 1 346.431 0.381 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001266469274 835872099 /nfs/dbraw/zinc/87/20/99/835872099.db2.gz IPSRCJAVMMNPCZ-AWEZNQCLSA-N 1 1 333.436 0.425 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001266482674 835882716 /nfs/dbraw/zinc/88/27/16/835882716.db2.gz GLYYUYQLHFKKGR-ZDUSSCGKSA-N 1 1 332.404 0.592 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001266482674 835882719 /nfs/dbraw/zinc/88/27/19/835882719.db2.gz GLYYUYQLHFKKGR-ZDUSSCGKSA-N 1 1 332.404 0.592 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc(F)cc1 ZINC001266492886 835892622 /nfs/dbraw/zinc/89/26/22/835892622.db2.gz YSFMCGOPCPBPAL-INIZCTEOSA-N 1 1 331.391 0.698 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(F)cc1 ZINC001266492886 835892626 /nfs/dbraw/zinc/89/26/26/835892626.db2.gz YSFMCGOPCPBPAL-INIZCTEOSA-N 1 1 331.391 0.698 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnn3ncccc23)C1 ZINC001266517061 835927615 /nfs/dbraw/zinc/92/76/15/835927615.db2.gz FNWNOMKXLLQTCU-CYBMUJFWSA-N 1 1 342.403 0.083 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(CC(C)C)CCNC2=O)C1 ZINC001266517147 835928581 /nfs/dbraw/zinc/92/85/81/835928581.db2.gz HIACXJWXVUKSJD-QFBILLFUSA-N 1 1 349.475 0.627 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccn3nccc23)C1 ZINC001266520770 835934487 /nfs/dbraw/zinc/93/44/87/835934487.db2.gz SUZALUOLGOHPMQ-CQSZACIVSA-N 1 1 339.399 0.135 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001266523609 835938793 /nfs/dbraw/zinc/93/87/93/835938793.db2.gz RBHLLULNIRQWGB-LVQVYYBASA-N 1 1 332.448 0.891 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001266523609 835938798 /nfs/dbraw/zinc/93/87/98/835938798.db2.gz RBHLLULNIRQWGB-LVQVYYBASA-N 1 1 332.448 0.891 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN(CC(=O)NCC#N)C2)C1 ZINC001266528404 835945123 /nfs/dbraw/zinc/94/51/23/835945123.db2.gz PAKOPNIKZLHRKN-HZPDHXFCSA-N 1 1 349.479 0.186 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001266537389 835956464 /nfs/dbraw/zinc/95/64/64/835956464.db2.gz KRGIUTUBTPVVAD-AWEZNQCLSA-N 1 1 334.424 0.193 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2nc(CC)oc2C)C1 ZINC001266537960 835957109 /nfs/dbraw/zinc/95/71/09/835957109.db2.gz VXEVGVHGBYJVSG-ZDUSSCGKSA-N 1 1 334.420 0.899 20 30 ECEDMO Cc1ccc(C)c(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001266545780 835967615 /nfs/dbraw/zinc/96/76/15/835967615.db2.gz QUEVSXBYFQGRFS-HNNXBMFYSA-N 1 1 328.416 0.995 20 30 ECEDMO Cc1ccc(C)c(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001266545780 835967620 /nfs/dbraw/zinc/96/76/20/835967620.db2.gz QUEVSXBYFQGRFS-HNNXBMFYSA-N 1 1 328.416 0.995 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)c2csc(COC)n2)C1 ZINC001266551489 835977179 /nfs/dbraw/zinc/97/71/79/835977179.db2.gz TUXUXJWWVHNGRZ-CYBMUJFWSA-N 1 1 337.445 0.991 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCC)CCNC(=O)c2n[nH]cc2F)C1=O ZINC001266570911 836001078 /nfs/dbraw/zinc/00/10/78/836001078.db2.gz APQYOFILRJTJPR-CYBMUJFWSA-N 1 1 337.399 0.778 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1c(C)nsc1C)CC(=O)NCC#N ZINC001266579335 836009474 /nfs/dbraw/zinc/00/94/74/836009474.db2.gz OEMZKPOXPKWGLI-UHFFFAOYSA-N 1 1 337.449 0.842 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1c(C)nsc1C)CC(=O)NCC#N ZINC001266579335 836009483 /nfs/dbraw/zinc/00/94/83/836009483.db2.gz OEMZKPOXPKWGLI-UHFFFAOYSA-N 1 1 337.449 0.842 20 30 ECEDMO CN(C)S(=O)(=O)CCC[N@@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001266592375 836023940 /nfs/dbraw/zinc/02/39/40/836023940.db2.gz QCELTISZJYSMIR-UHFFFAOYSA-N 1 1 341.477 0.262 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccco1)C1CC1 ZINC001266611701 836045781 /nfs/dbraw/zinc/04/57/81/836045781.db2.gz UFUQALSONAXPKW-ZIAGYGMSSA-N 1 1 330.388 0.603 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccco1)C1CC1 ZINC001266611701 836045789 /nfs/dbraw/zinc/04/57/89/836045789.db2.gz UFUQALSONAXPKW-ZIAGYGMSSA-N 1 1 330.388 0.603 20 30 ECEDMO CN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)CNC(=O)C1CC1 ZINC001266649306 836084534 /nfs/dbraw/zinc/08/45/34/836084534.db2.gz YYRYEGFHCYURAU-UHFFFAOYSA-N 1 1 332.379 0.772 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C(C)=O)C1 ZINC001266655552 836091081 /nfs/dbraw/zinc/09/10/81/836091081.db2.gz BDZYZVHFUAKLNU-SJORKVTESA-N 1 1 335.448 0.427 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2csnn2)C1 ZINC001266658832 836094511 /nfs/dbraw/zinc/09/45/11/836094511.db2.gz IXHOLGQBKSLVCY-JSGCOSHPSA-N 1 1 349.460 0.767 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2n[nH]cc2F)C1 ZINC001266658846 836094594 /nfs/dbraw/zinc/09/45/94/836094594.db2.gz JAVCMHQCLUCOEF-TZMCWYRMSA-N 1 1 347.394 0.225 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]nc2C)C1 ZINC001266660591 836098885 /nfs/dbraw/zinc/09/88/85/836098885.db2.gz YQQSMKHGTYPDGJ-GDBMZVCRSA-N 1 1 343.431 0.394 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccnc2)C1 ZINC001266662129 836099429 /nfs/dbraw/zinc/09/94/29/836099429.db2.gz CDSPALVVNCRPPG-IRXDYDNUSA-N 1 1 330.432 0.846 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001266751115 836243702 /nfs/dbraw/zinc/24/37/02/836243702.db2.gz BRUKYVBVEZLYNE-CQSZACIVSA-N 1 1 331.482 0.672 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001266760441 836259820 /nfs/dbraw/zinc/25/98/20/836259820.db2.gz GIERUQPTNMKZKK-OAGGEKHMSA-N 1 1 337.464 0.919 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001266843001 836369626 /nfs/dbraw/zinc/36/96/26/836369626.db2.gz YUWGZHVTCWEHAH-IRXDYDNUSA-N 1 1 349.475 0.913 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC001266845305 836372881 /nfs/dbraw/zinc/37/28/81/836372881.db2.gz VZNDGALQQPAHFV-OAHLLOKOSA-N 1 1 346.431 0.272 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC001266845305 836372888 /nfs/dbraw/zinc/37/28/88/836372888.db2.gz VZNDGALQQPAHFV-OAHLLOKOSA-N 1 1 346.431 0.272 20 30 ECEDMO COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001266848511 836378140 /nfs/dbraw/zinc/37/81/40/836378140.db2.gz BZDXDENZJBJKHQ-IAGOWNOFSA-N 1 1 348.447 0.728 20 30 ECEDMO COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001266848511 836378152 /nfs/dbraw/zinc/37/81/52/836378152.db2.gz BZDXDENZJBJKHQ-IAGOWNOFSA-N 1 1 348.447 0.728 20 30 ECEDMO COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1cn(C)nn1 ZINC001266859808 836396986 /nfs/dbraw/zinc/39/69/86/836396986.db2.gz QCOAPAUWVXRZGK-INIZCTEOSA-N 1 1 333.436 0.368 20 30 ECEDMO COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)CCc1cn(C)nn1 ZINC001266859808 836396992 /nfs/dbraw/zinc/39/69/92/836396992.db2.gz QCOAPAUWVXRZGK-INIZCTEOSA-N 1 1 333.436 0.368 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c(C)noc2C)C1 ZINC001266888873 836435663 /nfs/dbraw/zinc/43/56/63/836435663.db2.gz GXDWNJNWYTWNEG-DOMZBBRYSA-N 1 1 346.431 0.871 20 30 ECEDMO Cc1ncc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001266890555 836440099 /nfs/dbraw/zinc/44/00/99/836440099.db2.gz GPUJTENQZPVIMS-WCQYABFASA-N 1 1 332.408 0.188 20 30 ECEDMO Cc1ncc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001266890555 836440103 /nfs/dbraw/zinc/44/01/03/836440103.db2.gz GPUJTENQZPVIMS-WCQYABFASA-N 1 1 332.408 0.188 20 30 ECEDMO Cc1ncc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001266890553 836440278 /nfs/dbraw/zinc/44/02/78/836440278.db2.gz GPUJTENQZPVIMS-DGCLKSJQSA-N 1 1 332.408 0.188 20 30 ECEDMO Cc1ncc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001266890553 836440282 /nfs/dbraw/zinc/44/02/82/836440282.db2.gz GPUJTENQZPVIMS-DGCLKSJQSA-N 1 1 332.408 0.188 20 30 ECEDMO C[C@@H](NC(=O)COCC(F)F)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266892712 836441907 /nfs/dbraw/zinc/44/19/07/836441907.db2.gz XAVFPJKGORSACP-VXGBXAGGSA-N 1 1 346.378 0.125 20 30 ECEDMO C[C@@H](NC(=O)COCC(F)F)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266892712 836441910 /nfs/dbraw/zinc/44/19/10/836441910.db2.gz XAVFPJKGORSACP-VXGBXAGGSA-N 1 1 346.378 0.125 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2nnc[nH]2)C1 ZINC001266893417 836443945 /nfs/dbraw/zinc/44/39/45/836443945.db2.gz QSADFVJFYJNZMN-CABCVRRESA-N 1 1 333.436 0.604 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2nc[nH]n2)C1 ZINC001266893417 836443951 /nfs/dbraw/zinc/44/39/51/836443951.db2.gz QSADFVJFYJNZMN-CABCVRRESA-N 1 1 333.436 0.604 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2nc[nH]n2)C1 ZINC001266893417 836443954 /nfs/dbraw/zinc/44/39/54/836443954.db2.gz QSADFVJFYJNZMN-CABCVRRESA-N 1 1 333.436 0.604 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(OC)no2)C1 ZINC001266894857 836445170 /nfs/dbraw/zinc/44/51/70/836445170.db2.gz XPXMWMPMQZIREH-STQMWFEESA-N 1 1 348.403 0.263 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(OC)no2)C1 ZINC001266894847 836445277 /nfs/dbraw/zinc/44/52/77/836445277.db2.gz XPXMWMPMQZIREH-CHWSQXEVSA-N 1 1 348.403 0.263 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001266898541 836450624 /nfs/dbraw/zinc/45/06/24/836450624.db2.gz WPDXHMGLNLZASK-KBPBESRZSA-N 1 1 336.436 0.721 20 30 ECEDMO CC(C)=C[C@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1(C)C ZINC001266903063 836458522 /nfs/dbraw/zinc/45/85/22/836458522.db2.gz HTTJMNKDUXRJLE-IUKJFTNHSA-N 1 1 344.459 0.911 20 30 ECEDMO CC(C)=C[C@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1(C)C ZINC001266903063 836458527 /nfs/dbraw/zinc/45/85/27/836458527.db2.gz HTTJMNKDUXRJLE-IUKJFTNHSA-N 1 1 344.459 0.911 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001267110598 836795880 /nfs/dbraw/zinc/79/58/80/836795880.db2.gz GFFMXEJANAHEHS-DZGCQCFKSA-N 1 1 334.420 0.831 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CCC(OC)CC2)C1 ZINC001267112441 836799695 /nfs/dbraw/zinc/79/96/95/836799695.db2.gz YMKRATWKEDIYSE-CGZBRXJRSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)C2CCC(OC)CC2)C1 ZINC001267112441 836799708 /nfs/dbraw/zinc/79/97/08/836799708.db2.gz YMKRATWKEDIYSE-CGZBRXJRSA-N 1 1 349.475 0.864 20 30 ECEDMO Cc1ccc(CC(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)cn1 ZINC001267114381 836804743 /nfs/dbraw/zinc/80/47/43/836804743.db2.gz FAJHYGWTMMTNDJ-MRXNPFEDSA-N 1 1 343.431 0.495 20 30 ECEDMO Cc1ccc(CC(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)cn1 ZINC001267114381 836804755 /nfs/dbraw/zinc/80/47/55/836804755.db2.gz FAJHYGWTMMTNDJ-MRXNPFEDSA-N 1 1 343.431 0.495 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccnc(C)n2)C1 ZINC001267114918 836806757 /nfs/dbraw/zinc/80/67/57/836806757.db2.gz NFDZDRZDDCNBDS-UKRRQHHQSA-N 1 1 343.431 0.459 20 30 ECEDMO Cc1ncncc1C(=O)NCCC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267160271 836870489 /nfs/dbraw/zinc/87/04/89/836870489.db2.gz DXSOBKGQWIUSRR-AWEZNQCLSA-N 1 1 344.419 0.399 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1cccc(-n2cccn2)n1 ZINC001267215852 837006550 /nfs/dbraw/zinc/00/65/50/837006550.db2.gz OJQZURYGBGWKQY-UHFFFAOYSA-N 1 1 327.388 0.579 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cnc(C3CC3)nc2)C1=O ZINC001267220472 837012556 /nfs/dbraw/zinc/01/25/56/837012556.db2.gz UGQSWWSWOFJWOK-OAHLLOKOSA-N 1 1 343.431 0.803 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cnc(C3CC3)nc2)C1=O ZINC001267220472 837012563 /nfs/dbraw/zinc/01/25/63/837012563.db2.gz UGQSWWSWOFJWOK-OAHLLOKOSA-N 1 1 343.431 0.803 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](OC)C1CCCCC1 ZINC001267234873 837040849 /nfs/dbraw/zinc/04/08/49/837040849.db2.gz RBBYUMSIAFNTJR-ZBFHGGJFSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](OC)C1CCCCC1 ZINC001267234873 837040860 /nfs/dbraw/zinc/04/08/60/837040860.db2.gz RBBYUMSIAFNTJR-ZBFHGGJFSA-N 1 1 337.464 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2ncc(OC)cn2)C1=O ZINC001267244873 837057360 /nfs/dbraw/zinc/05/73/60/837057360.db2.gz UFSKHJXRONRDJX-CQSZACIVSA-N 1 1 347.419 0.324 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CC)CCNC(=O)c2ccn(CC)n2)C1=O ZINC001267251224 837070472 /nfs/dbraw/zinc/07/04/72/837070472.db2.gz YVHZIAVNZPXOFF-HNNXBMFYSA-N 1 1 333.436 0.742 20 30 ECEDMO CC[N@H+](CCNC(=O)Cc1ccc2c(c1)CCC2)CC(=O)NCC#N ZINC001267256321 837079610 /nfs/dbraw/zinc/07/96/10/837079610.db2.gz RDKCKRGJAQEYGF-UHFFFAOYSA-N 1 1 342.443 0.796 20 30 ECEDMO CC[N@@H+](CCNC(=O)Cc1ccc2c(c1)CCC2)CC(=O)NCC#N ZINC001267256321 837079620 /nfs/dbraw/zinc/07/96/20/837079620.db2.gz RDKCKRGJAQEYGF-UHFFFAOYSA-N 1 1 342.443 0.796 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc(C)n(C(C)C)n1 ZINC001267259666 837087715 /nfs/dbraw/zinc/08/77/15/837087715.db2.gz SFLOPBGWCSIQPZ-UHFFFAOYSA-N 1 1 333.436 0.574 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc(C)n(C(C)C)n1 ZINC001267259666 837087723 /nfs/dbraw/zinc/08/77/23/837087723.db2.gz SFLOPBGWCSIQPZ-UHFFFAOYSA-N 1 1 333.436 0.574 20 30 ECEDMO Cc1cc(C(=O)NCCC[N@@H+](CC(=O)NCC#N)C(C)C)c(C)nn1 ZINC001267264821 837100440 /nfs/dbraw/zinc/10/04/40/837100440.db2.gz FSAFHABUOKCBIK-UHFFFAOYSA-N 1 1 346.435 0.564 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001267267046 837103443 /nfs/dbraw/zinc/10/34/43/837103443.db2.gz KPBPRZHEDMFFFI-STQMWFEESA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)Cc2ccn(C)n2)C1=O ZINC001267266947 837103938 /nfs/dbraw/zinc/10/39/38/837103938.db2.gz JSOCGYLSJXCXIN-JKSUJKDBSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)CCc2c[nH]cn2)C1=O ZINC001267269535 837109029 /nfs/dbraw/zinc/10/90/29/837109029.db2.gz OMORYFZIPGEMAL-HOTGVXAUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1ccnc(C)n1 ZINC001267274557 837118636 /nfs/dbraw/zinc/11/86/36/837118636.db2.gz AOULLAQICAXVBQ-MRXNPFEDSA-N 1 1 345.447 0.600 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccnc(C)n1 ZINC001267274557 837118643 /nfs/dbraw/zinc/11/86/43/837118643.db2.gz AOULLAQICAXVBQ-MRXNPFEDSA-N 1 1 345.447 0.600 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2nccn21 ZINC001267275324 837119040 /nfs/dbraw/zinc/11/90/40/837119040.db2.gz FMKWTNOBCZBGDA-CQSZACIVSA-N 1 1 339.399 0.278 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2nccn21 ZINC001267275324 837119044 /nfs/dbraw/zinc/11/90/44/837119044.db2.gz FMKWTNOBCZBGDA-CQSZACIVSA-N 1 1 339.399 0.278 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2occc2C)C1 ZINC001267285022 837137168 /nfs/dbraw/zinc/13/71/68/837137168.db2.gz AEPLQRXCHUCNSA-CYBMUJFWSA-N 1 1 348.403 0.652 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2occc2C)C1 ZINC001267285022 837137172 /nfs/dbraw/zinc/13/71/72/837137172.db2.gz AEPLQRXCHUCNSA-CYBMUJFWSA-N 1 1 348.403 0.652 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001267290230 837141757 /nfs/dbraw/zinc/14/17/57/837141757.db2.gz XROKLEFLXWMXKS-CQSZACIVSA-N 1 1 331.420 0.662 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](CNC(=O)C#CC(C)C)C1 ZINC001267293428 837148168 /nfs/dbraw/zinc/14/81/68/837148168.db2.gz SFSWQFBNUWNZBW-MRXNPFEDSA-N 1 1 332.448 0.846 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2c(F)cccc2OC)C1 ZINC001267295095 837150817 /nfs/dbraw/zinc/15/08/17/837150817.db2.gz QSXVTSAIJWSNKS-CYBMUJFWSA-N 1 1 347.390 0.635 20 30 ECEDMO CCc1nnc(C)cc1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267296776 837153679 /nfs/dbraw/zinc/15/36/79/837153679.db2.gz VHHLMAFHBCBHDN-CYBMUJFWSA-N 1 1 344.419 0.039 20 30 ECEDMO CCc1nnc(C)cc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267296776 837153686 /nfs/dbraw/zinc/15/36/86/837153686.db2.gz VHHLMAFHBCBHDN-CYBMUJFWSA-N 1 1 344.419 0.039 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267296992 837156176 /nfs/dbraw/zinc/15/61/76/837156176.db2.gz YYWKYLPDOLMUAT-CVEARBPZSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267296992 837156182 /nfs/dbraw/zinc/15/61/82/837156182.db2.gz YYWKYLPDOLMUAT-CVEARBPZSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ncc3ccccn32)C1 ZINC001267297252 837157618 /nfs/dbraw/zinc/15/76/18/837157618.db2.gz FNWXHKORPBCNIH-AWEZNQCLSA-N 1 1 341.415 0.688 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC001267297345 837158206 /nfs/dbraw/zinc/15/82/06/837158206.db2.gz HQHZNYLCAAXNOB-ZDUSSCGKSA-N 1 1 341.415 0.650 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC001267297345 837158209 /nfs/dbraw/zinc/15/82/09/837158209.db2.gz HQHZNYLCAAXNOB-ZDUSSCGKSA-N 1 1 341.415 0.650 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2cncc(C)c2)C1 ZINC001267298947 837161301 /nfs/dbraw/zinc/16/13/01/837161301.db2.gz UCJUYSMEFCDYLF-JKSUJKDBSA-N 1 1 342.443 0.509 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001267298532 837162483 /nfs/dbraw/zinc/16/24/83/837162483.db2.gz OPLRMDUIJCMLDF-OLZOCXBDSA-N 1 1 349.456 0.946 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001267302738 837167463 /nfs/dbraw/zinc/16/74/63/837167463.db2.gz HKRYDKBASZXSQV-DOTOQJQBSA-N 1 1 347.463 0.829 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001267307070 837177497 /nfs/dbraw/zinc/17/74/97/837177497.db2.gz LANGNZJNEYAREL-CYBMUJFWSA-N 1 1 328.416 0.305 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)c2ccccc2)C1 ZINC001267307392 837179308 /nfs/dbraw/zinc/17/93/08/837179308.db2.gz RNLRNIAJMRNHPS-CVEARBPZSA-N 1 1 327.428 0.978 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCNC(=O)Cn2cccn2)C2CC2)C1=O ZINC001267322405 837199083 /nfs/dbraw/zinc/19/90/83/837199083.db2.gz YRMHXFIQZBRIMY-HNNXBMFYSA-N 1 1 331.420 0.251 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCNC(=O)Cn2cccn2)C2CC2)C1=O ZINC001267322405 837199086 /nfs/dbraw/zinc/19/90/86/837199086.db2.gz YRMHXFIQZBRIMY-HNNXBMFYSA-N 1 1 331.420 0.251 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1ccn(C(C)(C)C)n1)C1CC1 ZINC001267325392 837202536 /nfs/dbraw/zinc/20/25/36/837202536.db2.gz CYULVIHWHKVBIR-UHFFFAOYSA-N 1 1 345.447 0.582 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1ccn(C(C)(C)C)n1)C1CC1 ZINC001267325392 837202546 /nfs/dbraw/zinc/20/25/46/837202546.db2.gz CYULVIHWHKVBIR-UHFFFAOYSA-N 1 1 345.447 0.582 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@H+](Cc1ccn(C)c(=O)c1)C1CC1 ZINC001267326957 837205332 /nfs/dbraw/zinc/20/53/32/837205332.db2.gz VCHWJKHELOFMPX-GOSISDBHSA-N 1 1 333.432 0.793 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(CC)[nH]c(=O)c1)C1CC1 ZINC001267329127 837210274 /nfs/dbraw/zinc/21/02/74/837210274.db2.gz DAOWFLUXKPQSHR-UHFFFAOYSA-N 1 1 344.415 0.293 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cc(CC)[nH]c(=O)c1)C1CC1 ZINC001267329127 837210280 /nfs/dbraw/zinc/21/02/80/837210280.db2.gz DAOWFLUXKPQSHR-UHFFFAOYSA-N 1 1 344.415 0.293 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC001279669447 837328938 /nfs/dbraw/zinc/32/89/38/837328938.db2.gz ZWPRKQFCPLWCHH-UHFFFAOYSA-N 1 1 331.420 0.315 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1cccc2c[nH]nc21 ZINC001267411611 837368007 /nfs/dbraw/zinc/36/80/07/837368007.db2.gz HLIKIEWHJNCRGS-LBPRGKRZSA-N 1 1 329.404 0.915 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC001267582047 837846408 /nfs/dbraw/zinc/84/64/08/837846408.db2.gz AYFYBQREEGRNRU-AWEZNQCLSA-N 1 1 326.462 0.805 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC001267582685 837849304 /nfs/dbraw/zinc/84/93/04/837849304.db2.gz YRRMLQNPTKNPBU-QFBILLFUSA-N 1 1 347.459 0.993 20 30 ECEDMO CCN1CCOC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC#CCOC)C1 ZINC001267586763 837864405 /nfs/dbraw/zinc/86/44/05/837864405.db2.gz ZCLWJAFWLJTMAD-IRXDYDNUSA-N 1 1 337.464 0.137 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001267587021 837866560 /nfs/dbraw/zinc/86/65/60/837866560.db2.gz DZEWJIWDXKBBRU-QWHCGFSZSA-N 1 1 338.452 0.952 20 30 ECEDMO C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1)c1cccnc1 ZINC001267593087 837889075 /nfs/dbraw/zinc/88/90/75/837889075.db2.gz CTNHFMCJGICHLQ-GJZGRUSLSA-N 1 1 343.431 0.605 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C[N@H+](C)C[C@H](O)COC)CC1 ZINC001267599391 837911523 /nfs/dbraw/zinc/91/15/23/837911523.db2.gz MYNLLSGAKVZTAR-HOCLYGCPSA-N 1 1 326.437 0.202 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)Cn2cncc2C)CC1 ZINC001267600890 837920147 /nfs/dbraw/zinc/92/01/47/837920147.db2.gz VKABLCVSUNWPSO-UHFFFAOYSA-N 1 1 347.463 0.664 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[C@H]2CCCOC2)C1 ZINC001267601511 837922673 /nfs/dbraw/zinc/92/26/73/837922673.db2.gz OPISHXDPVFLEPA-LSDHHAIUSA-N 1 1 336.436 0.271 20 30 ECEDMO C#CC[N@H+](C)CC1CCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001267601598 837923514 /nfs/dbraw/zinc/92/35/14/837923514.db2.gz QMBOUXJKFVWSRK-UHFFFAOYSA-N 1 1 339.417 0.344 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001267615064 837992705 /nfs/dbraw/zinc/99/27/05/837992705.db2.gz GCGUKQUQOHIRMR-NVXWUHKLSA-N 1 1 342.443 0.812 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001267615064 837992707 /nfs/dbraw/zinc/99/27/07/837992707.db2.gz GCGUKQUQOHIRMR-NVXWUHKLSA-N 1 1 342.443 0.812 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001267615289 837995305 /nfs/dbraw/zinc/99/53/05/837995305.db2.gz LFBLDMNAJVCXLH-GOEBONIOSA-N 1 1 347.463 0.542 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001267615289 837995313 /nfs/dbraw/zinc/99/53/13/837995313.db2.gz LFBLDMNAJVCXLH-GOEBONIOSA-N 1 1 347.463 0.542 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cnn2C)C1 ZINC001267618532 838052045 /nfs/dbraw/zinc/05/20/45/838052045.db2.gz QAUCNUBKGSREKJ-ZIAGYGMSSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2c(C)cnn2C)C1 ZINC001267618532 838052054 /nfs/dbraw/zinc/05/20/54/838052054.db2.gz QAUCNUBKGSREKJ-ZIAGYGMSSA-N 1 1 333.436 0.613 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001267626015 838072808 /nfs/dbraw/zinc/07/28/08/838072808.db2.gz KSMFQMUSQNDCHD-INIZCTEOSA-N 1 1 344.459 0.992 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001267626015 838072819 /nfs/dbraw/zinc/07/28/19/838072819.db2.gz KSMFQMUSQNDCHD-INIZCTEOSA-N 1 1 344.459 0.992 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCOCC(F)F)C1 ZINC001267626399 838076991 /nfs/dbraw/zinc/07/69/91/838076991.db2.gz UMSVFDOAYJZTMD-STQMWFEESA-N 1 1 345.390 0.377 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCOCC(F)F)C1 ZINC001267626399 838077001 /nfs/dbraw/zinc/07/70/01/838077001.db2.gz UMSVFDOAYJZTMD-STQMWFEESA-N 1 1 345.390 0.377 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267627729 838082115 /nfs/dbraw/zinc/08/21/15/838082115.db2.gz KMNPZIMVDFHHSZ-KGLIPLIRSA-N 1 1 334.420 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCOCCOC)C2)cn1 ZINC001267633572 838097881 /nfs/dbraw/zinc/09/78/81/838097881.db2.gz DYEHKSOZMCUXCX-KRWDZBQOSA-N 1 1 331.416 0.920 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2ncccc2O)C1 ZINC001267637922 838111777 /nfs/dbraw/zinc/11/17/77/838111777.db2.gz HUBWJONQLSRHPU-CYBMUJFWSA-N 1 1 332.404 0.483 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ncccc2O)C1 ZINC001267637922 838111782 /nfs/dbraw/zinc/11/17/82/838111782.db2.gz HUBWJONQLSRHPU-CYBMUJFWSA-N 1 1 332.404 0.483 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001267638706 838115603 /nfs/dbraw/zinc/11/56/03/838115603.db2.gz QMXBLUAICXIJPA-ZIAGYGMSSA-N 1 1 333.436 0.505 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC2CCCC2)C1 ZINC001267646954 838135430 /nfs/dbraw/zinc/13/54/30/838135430.db2.gz TWQDOIQICGACHR-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001267657780 838172411 /nfs/dbraw/zinc/17/24/11/838172411.db2.gz FABLQMOXNGUUGZ-AWEZNQCLSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001267657780 838172418 /nfs/dbraw/zinc/17/24/18/838172418.db2.gz FABLQMOXNGUUGZ-AWEZNQCLSA-N 1 1 326.462 0.757 20 30 ECEDMO COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(CCOC)n2)C1 ZINC001267665367 838190412 /nfs/dbraw/zinc/19/04/12/838190412.db2.gz GRQLRJKVPBSKEG-MRXNPFEDSA-N 1 1 348.447 0.573 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H](CC)SC)C2)C1=O ZINC001267678429 838233585 /nfs/dbraw/zinc/23/35/85/838233585.db2.gz CVFAXEUXHOJGOR-UONOGXRCSA-N 1 1 325.478 0.963 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnccc1=O ZINC001267713510 838335919 /nfs/dbraw/zinc/33/59/19/838335919.db2.gz KAKFGEHHISQXOM-GJZGRUSLSA-N 1 1 332.404 0.121 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC001267730431 838416161 /nfs/dbraw/zinc/41/61/61/838416161.db2.gz WNJBZWPZNMGCDC-INIZCTEOSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C[N@H+](C)Cc2nnc(C)[nH]2)CC1 ZINC001267730412 838416584 /nfs/dbraw/zinc/41/65/84/838416584.db2.gz VMHMLCXSWUZMTC-CYBMUJFWSA-N 1 1 333.436 0.822 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C[N@@H+](C)Cc2nnc(C)[nH]2)CC1 ZINC001267730412 838416586 /nfs/dbraw/zinc/41/65/86/838416586.db2.gz VMHMLCXSWUZMTC-CYBMUJFWSA-N 1 1 333.436 0.822 20 30 ECEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001267733121 838426094 /nfs/dbraw/zinc/42/60/94/838426094.db2.gz CPPQEFRXKOTRQA-UHFFFAOYSA-N 1 1 336.480 0.507 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C2(COC)CCOCC2)C1 ZINC001267743521 838445195 /nfs/dbraw/zinc/44/51/95/838445195.db2.gz WFDKCYGHWLQATD-OAHLLOKOSA-N 1 1 326.437 0.823 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC001267754382 838477049 /nfs/dbraw/zinc/47/70/49/838477049.db2.gz GAXRKCNOBHIHAV-DGCLKSJQSA-N 1 1 334.445 0.322 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC001267754382 838477053 /nfs/dbraw/zinc/47/70/53/838477053.db2.gz GAXRKCNOBHIHAV-DGCLKSJQSA-N 1 1 334.445 0.322 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](N(C)C(=O)CCc3ccon3)C2)C1=O ZINC001267767472 838504943 /nfs/dbraw/zinc/50/49/43/838504943.db2.gz JQJIIKDAHGDDQA-JKSUJKDBSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](N(C)C(=O)CCc3ccon3)C2)C1=O ZINC001267767472 838504963 /nfs/dbraw/zinc/50/49/63/838504963.db2.gz JQJIIKDAHGDDQA-JKSUJKDBSA-N 1 1 346.431 0.927 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001267768004 838506614 /nfs/dbraw/zinc/50/66/14/838506614.db2.gz RVFOXBFQYRAVKF-CQSZACIVSA-N 1 1 333.436 0.829 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001267768004 838506619 /nfs/dbraw/zinc/50/66/19/838506619.db2.gz RVFOXBFQYRAVKF-CQSZACIVSA-N 1 1 333.436 0.829 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001267768363 838506635 /nfs/dbraw/zinc/50/66/35/838506635.db2.gz URAWPXVDDDIMIM-HNNXBMFYSA-N 1 1 333.436 0.106 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001267768363 838506640 /nfs/dbraw/zinc/50/66/40/838506640.db2.gz URAWPXVDDDIMIM-HNNXBMFYSA-N 1 1 333.436 0.106 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccnc2)C1 ZINC001267780706 838552458 /nfs/dbraw/zinc/55/24/58/838552458.db2.gz TZHYMDQRNPJVNT-GDBMZVCRSA-N 1 1 328.416 0.756 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cccnc2)C1 ZINC001267780706 838552465 /nfs/dbraw/zinc/55/24/65/838552465.db2.gz TZHYMDQRNPJVNT-GDBMZVCRSA-N 1 1 328.416 0.756 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267782690 838558444 /nfs/dbraw/zinc/55/84/44/838558444.db2.gz BGHDRMAVAVGXLL-GDBMZVCRSA-N 1 1 346.493 0.671 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267782690 838558449 /nfs/dbraw/zinc/55/84/49/838558449.db2.gz BGHDRMAVAVGXLL-GDBMZVCRSA-N 1 1 346.493 0.671 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](OCC)C2CC2)C1 ZINC001267785922 838562595 /nfs/dbraw/zinc/56/25/95/838562595.db2.gz ISDKSELBOQYAFG-RDJZCZTQSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](OCC)C2CC2)C1 ZINC001267785922 838562599 /nfs/dbraw/zinc/56/25/99/838562599.db2.gz ISDKSELBOQYAFG-RDJZCZTQSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnc(C)n2)C1 ZINC001267791307 838571578 /nfs/dbraw/zinc/57/15/78/838571578.db2.gz XJGGTEQSMAYQPN-UKRRQHHQSA-N 1 1 343.431 0.459 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnc(C)n2)C1 ZINC001267791307 838571585 /nfs/dbraw/zinc/57/15/85/838571585.db2.gz XJGGTEQSMAYQPN-UKRRQHHQSA-N 1 1 343.431 0.459 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2[nH]c(C)nc2C)C1 ZINC001267791889 838572722 /nfs/dbraw/zinc/57/27/22/838572722.db2.gz YCWYXNJJUAMLGO-CQSZACIVSA-N 1 1 333.436 0.865 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2[nH]c(C)nc2C)C1 ZINC001267791889 838572727 /nfs/dbraw/zinc/57/27/27/838572727.db2.gz YCWYXNJJUAMLGO-CQSZACIVSA-N 1 1 333.436 0.865 20 30 ECEDMO COCC#CC[NH+]1CCC(CCNC(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001267944515 838831920 /nfs/dbraw/zinc/83/19/20/838831920.db2.gz AXHJRLVDNZFDSS-AWEZNQCLSA-N 1 1 344.477 0.288 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2CC)C1 ZINC001267949428 838841209 /nfs/dbraw/zinc/84/12/09/838841209.db2.gz KWFCBFAMQAQGEL-CVEARBPZSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001267962425 838875160 /nfs/dbraw/zinc/87/51/60/838875160.db2.gz MWANDBCLVFJBSK-MRXNPFEDSA-N 1 1 346.431 0.998 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001267962425 838875164 /nfs/dbraw/zinc/87/51/64/838875164.db2.gz MWANDBCLVFJBSK-MRXNPFEDSA-N 1 1 346.431 0.998 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](OC)C(C)C)CC2 ZINC001267974290 838909303 /nfs/dbraw/zinc/90/93/03/838909303.db2.gz SMQJDXMWEZXWPI-QGZVFWFLSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1C[N@@H+](CCC2CCOCC2)CCO1 ZINC001268021369 838997267 /nfs/dbraw/zinc/99/72/67/838997267.db2.gz FRMUAMRUGLYCOL-KRWDZBQOSA-N 1 1 338.448 0.660 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccoc2C)C1 ZINC001268021792 838998926 /nfs/dbraw/zinc/99/89/26/838998926.db2.gz KHJQXSGEDNDSBC-AWEZNQCLSA-N 1 1 335.404 0.711 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccoc2C)C1 ZINC001268021792 838998931 /nfs/dbraw/zinc/99/89/31/838998931.db2.gz KHJQXSGEDNDSBC-AWEZNQCLSA-N 1 1 335.404 0.711 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)SC)CC2 ZINC001268044117 839200819 /nfs/dbraw/zinc/20/08/19/839200819.db2.gz XRUXDOLTUZBSLE-CQSZACIVSA-N 1 1 337.489 0.802 20 30 ECEDMO Cn1nnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000980997811 839299637 /nfs/dbraw/zinc/29/96/37/839299637.db2.gz FPKRQZDLYADJFR-NWDGAFQWSA-N 1 1 328.380 0.241 20 30 ECEDMO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)CC2 ZINC000329470641 282120059 /nfs/dbraw/zinc/12/00/59/282120059.db2.gz YYAPPJLAFADZLD-SGMGOOAPSA-N 1 1 336.440 0.202 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001077911229 781926860 /nfs/dbraw/zinc/92/68/60/781926860.db2.gz FJBOIVFDDYNMEF-IIAWOOMASA-N 1 1 349.435 0.056 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)CNc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000413921078 208377489 /nfs/dbraw/zinc/37/74/89/208377489.db2.gz NTSZDUAAZONJKK-CQSZACIVSA-N 1 1 330.388 0.533 20 30 ECEDMO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000330578115 254639582 /nfs/dbraw/zinc/63/95/82/254639582.db2.gz PEMYLRLFNQQPSC-QLFBSQMISA-N 1 1 340.468 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000491125460 254898461 /nfs/dbraw/zinc/89/84/61/254898461.db2.gz FBRVLUOPBPFQRI-CABCVRRESA-N 1 1 332.404 0.543 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001077941415 781980265 /nfs/dbraw/zinc/98/02/65/781980265.db2.gz METDCSSEYSEWJK-HUUCEWRRSA-N 1 1 327.388 0.823 20 30 ECEDMO C[C@](O)(CNC(=O)/C=C\c1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000255133406 296741226 /nfs/dbraw/zinc/74/12/26/296741226.db2.gz PYSQJYBISCFOLQ-XFHJGTJQSA-N 1 1 329.400 0.771 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1 ZINC001077960195 782017666 /nfs/dbraw/zinc/01/76/66/782017666.db2.gz KZTNIECDDWPDQP-UKRRQHHQSA-N 1 1 335.404 0.920 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1 ZINC001077960195 782017673 /nfs/dbraw/zinc/01/76/73/782017673.db2.gz KZTNIECDDWPDQP-UKRRQHHQSA-N 1 1 335.404 0.920 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000375502968 269909475 /nfs/dbraw/zinc/90/94/75/269909475.db2.gz YAMIGPAXLAZCRH-CQSZACIVSA-N 1 1 337.445 0.944 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000375502968 269909476 /nfs/dbraw/zinc/90/94/76/269909476.db2.gz YAMIGPAXLAZCRH-CQSZACIVSA-N 1 1 337.445 0.944 20 30 ECEDMO C[C@H](CNC(=O)Cn1cnc(C#N)n1)[N@@H+]1CCc2sccc2C1 ZINC000178398450 263154618 /nfs/dbraw/zinc/15/46/18/263154618.db2.gz INMFOBPBIDGMRK-LLVKDONJSA-N 1 1 330.417 0.774 20 30 ECEDMO C[C@H](CNC(=O)Cn1cnc(C#N)n1)[N@H+]1CCc2sccc2C1 ZINC000178398450 263154620 /nfs/dbraw/zinc/15/46/20/263154620.db2.gz INMFOBPBIDGMRK-LLVKDONJSA-N 1 1 330.417 0.774 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000274250932 263453231 /nfs/dbraw/zinc/45/32/31/263453231.db2.gz YLVJHLBDAXQTLU-UHFFFAOYSA-N 1 1 343.431 0.042 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000282393620 264040503 /nfs/dbraw/zinc/04/05/03/264040503.db2.gz PXFDIFBOXKPNRD-AWEZNQCLSA-N 1 1 339.399 0.883 20 30 ECEDMO N#Cc1cccnc1N1CCC[N@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC000363608611 270007162 /nfs/dbraw/zinc/00/71/62/270007162.db2.gz GHKNRMYHJOQMKG-MRXNPFEDSA-N 1 1 326.404 0.723 20 30 ECEDMO CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H](C)CO ZINC000339628558 266104064 /nfs/dbraw/zinc/10/40/64/266104064.db2.gz GLGGRTNCYRSNSG-LBPRGKRZSA-N 1 1 335.408 0.206 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 ZINC000359456018 266153896 /nfs/dbraw/zinc/15/38/96/266153896.db2.gz HFPOUBNPBPDHIY-AWEZNQCLSA-N 1 1 349.460 0.693 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 ZINC000359456018 266153898 /nfs/dbraw/zinc/15/38/98/266153898.db2.gz HFPOUBNPBPDHIY-AWEZNQCLSA-N 1 1 349.460 0.693 20 30 ECEDMO C[C@H](C(=O)N1CCC(n2cnc(C#N)n2)CC1)[NH+]1CCSCC1 ZINC000369380118 267124799 /nfs/dbraw/zinc/12/47/99/267124799.db2.gz RHGURQTWOSEDJS-GFCCVEGCSA-N 1 1 334.449 0.751 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000354434263 267164494 /nfs/dbraw/zinc/16/44/94/267164494.db2.gz YWZHXYXHRQZZEB-GFCCVEGCSA-N 1 1 348.378 0.551 20 30 ECEDMO CN(C)c1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000519699267 267294229 /nfs/dbraw/zinc/29/42/29/267294229.db2.gz OAYNMEZNVAWTJF-UHFFFAOYSA-N 1 1 345.428 0.978 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@](O)(C(N)=O)C3)C2=O)cc1 ZINC000286344779 268113406 /nfs/dbraw/zinc/11/34/06/268113406.db2.gz XIVMRVLOADRLOM-MAUKXSAKSA-N 1 1 342.399 0.366 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CCC(=O)N3CCOCC3)C2)nc1 ZINC000366437554 268181687 /nfs/dbraw/zinc/18/16/87/268181687.db2.gz KMYMYQRUXNAIGE-OAHLLOKOSA-N 1 1 330.388 0.655 20 30 ECEDMO N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)nc1 ZINC000329327716 268184327 /nfs/dbraw/zinc/18/43/27/268184327.db2.gz URBXOCCUWBFNST-HOTGVXAUSA-N 1 1 341.415 0.323 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000295413043 268255526 /nfs/dbraw/zinc/25/55/26/268255526.db2.gz WKRVNJNSKFKUDC-MRXNPFEDSA-N 1 1 337.445 0.824 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000295413039 268256510 /nfs/dbraw/zinc/25/65/10/268256510.db2.gz WKRVNJNSKFKUDC-INIZCTEOSA-N 1 1 337.445 0.824 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000528432793 268300705 /nfs/dbraw/zinc/30/07/05/268300705.db2.gz SBRBJEUYOBXTGB-ZIAGYGMSSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000528432793 268300706 /nfs/dbraw/zinc/30/07/06/268300706.db2.gz SBRBJEUYOBXTGB-ZIAGYGMSSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000528390991 268301808 /nfs/dbraw/zinc/30/18/08/268301808.db2.gz QMPQLJGMSWVUJJ-FUHWJXTLSA-N 1 1 345.443 0.952 20 30 ECEDMO N#Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371029658 268302791 /nfs/dbraw/zinc/30/27/91/268302791.db2.gz YFZPXHMMDGQCBG-AWEZNQCLSA-N 1 1 334.445 0.756 20 30 ECEDMO N#Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371029658 268302792 /nfs/dbraw/zinc/30/27/92/268302792.db2.gz YFZPXHMMDGQCBG-AWEZNQCLSA-N 1 1 334.445 0.756 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000364923611 268307257 /nfs/dbraw/zinc/30/72/57/268307257.db2.gz LIMMVQXSPYOGNJ-LLVKDONJSA-N 1 1 342.446 0.701 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000364923611 268307259 /nfs/dbraw/zinc/30/72/59/268307259.db2.gz LIMMVQXSPYOGNJ-LLVKDONJSA-N 1 1 342.446 0.701 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000358426679 268308129 /nfs/dbraw/zinc/30/81/29/268308129.db2.gz MDIPOQRWYFRGAC-LLVKDONJSA-N 1 1 342.446 0.701 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCn2ncnc2C1)N1CC[NH+](C)CC1 ZINC000329971087 276015434 /nfs/dbraw/zinc/01/54/34/276015434.db2.gz VINXJYVEMVBYFQ-AWEZNQCLSA-N 1 1 335.456 0.280 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000356305054 276876292 /nfs/dbraw/zinc/87/62/92/276876292.db2.gz QAXGHGWJLSUXJX-GXTWGEPZSA-N 1 1 328.438 0.608 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041720786 782050471 /nfs/dbraw/zinc/05/04/71/782050471.db2.gz VUSWAVSZZWQWQY-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCNC[C@H]1C)C(C)C ZINC000419572370 277850008 /nfs/dbraw/zinc/85/00/08/277850008.db2.gz QFYOFGJSYKIBEJ-HZPDHXFCSA-N 1 1 336.480 0.622 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000330409994 279225280 /nfs/dbraw/zinc/22/52/80/279225280.db2.gz YLCMDWCWTGCEJF-MCIONIFRSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000330409994 279225284 /nfs/dbraw/zinc/22/52/84/279225284.db2.gz YLCMDWCWTGCEJF-MCIONIFRSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000337066575 279225891 /nfs/dbraw/zinc/22/58/91/279225891.db2.gz KXXULMHREHKIQL-HUUCEWRRSA-N 1 1 345.513 0.186 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000092618539 280134490 /nfs/dbraw/zinc/13/44/90/280134490.db2.gz DOQGBYFSXDWIKM-JYJNAYRXSA-N 1 1 349.479 0.265 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000330268743 280340310 /nfs/dbraw/zinc/34/03/10/280340310.db2.gz RJNHGKGGPZFWDZ-RBSFLKMASA-N 1 1 338.452 0.564 20 30 ECEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330761060 437607613 /nfs/dbraw/zinc/60/76/13/437607613.db2.gz NFKGYVXGTXMLML-LSDHHAIUSA-N 1 1 332.466 0.440 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCC2(N3CCOCC3)CC2)[C@H](C)C1 ZINC000329409597 290086463 /nfs/dbraw/zinc/08/64/63/290086463.db2.gz AGQRYJFTEMOJDG-CABCVRRESA-N 1 1 340.468 0.152 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)COc2ccc(C#N)cc2)CC1 ZINC000025228175 436148741 /nfs/dbraw/zinc/14/87/41/436148741.db2.gz DQOKHYWPHHRCPF-UHFFFAOYSA-N 1 1 330.388 0.264 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000076951937 436221581 /nfs/dbraw/zinc/22/15/81/436221581.db2.gz XQVXPJVBRNKOQZ-CQSZACIVSA-N 1 1 331.482 0.672 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000076951937 436221584 /nfs/dbraw/zinc/22/15/84/436221584.db2.gz XQVXPJVBRNKOQZ-CQSZACIVSA-N 1 1 331.482 0.672 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000046044892 436383871 /nfs/dbraw/zinc/38/38/71/436383871.db2.gz CJFOWMXBFUJLFK-UHFFFAOYSA-N 1 1 329.404 0.522 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[NH+](C3CC3)CC2)CC1 ZINC000091542956 436452257 /nfs/dbraw/zinc/45/22/57/436452257.db2.gz ALYPSOSMHKTBOV-QGZVFWFLSA-N 1 1 333.480 0.459 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092654197 436473705 /nfs/dbraw/zinc/47/37/05/436473705.db2.gz YEGAVPOZLXAGCS-UHFFFAOYSA-N 1 1 331.376 0.560 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092654197 436473706 /nfs/dbraw/zinc/47/37/06/436473706.db2.gz YEGAVPOZLXAGCS-UHFFFAOYSA-N 1 1 331.376 0.560 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000092802132 436476142 /nfs/dbraw/zinc/47/61/42/436476142.db2.gz NMWDRYQYPCZCDQ-AWEZNQCLSA-N 1 1 342.465 0.248 20 30 ECEDMO C[C@H]1CCC[N@@H+](CCCCNc2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000052247816 436505071 /nfs/dbraw/zinc/50/50/71/436505071.db2.gz BYUFBLBCKBDBAS-ZDUSSCGKSA-N 1 1 333.436 0.880 20 30 ECEDMO C[N@H+]1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000052588550 436511710 /nfs/dbraw/zinc/51/17/10/436511710.db2.gz KSLKPUINRBIRCJ-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000109753021 436626410 /nfs/dbraw/zinc/62/64/10/436626410.db2.gz RADMACCWMOEHMG-IEBWSBKVSA-N 1 1 347.507 0.897 20 30 ECEDMO Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCO[C@H](C#N)C2)CC1 ZINC000106306421 436591826 /nfs/dbraw/zinc/59/18/26/436591826.db2.gz HRHBIHHHCLUNSK-GOSISDBHSA-N 1 1 342.443 0.864 20 30 ECEDMO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(C#N)CC1 ZINC000057876489 436617531 /nfs/dbraw/zinc/61/75/31/436617531.db2.gz ALTFOQDLFZVHRF-AWEZNQCLSA-N 1 1 328.420 0.749 20 30 ECEDMO CNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000111693843 436632120 /nfs/dbraw/zinc/63/21/20/436632120.db2.gz GPIQRGBOIYEGSL-HOTGVXAUSA-N 1 1 331.416 0.950 20 30 ECEDMO C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000550518905 302346821 /nfs/dbraw/zinc/34/68/21/302346821.db2.gz PRSSZAFRVNLFDO-CYBMUJFWSA-N 1 1 326.400 0.905 20 30 ECEDMO N#Cc1cnn2cc(CNCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cnc12 ZINC000552771330 302397421 /nfs/dbraw/zinc/39/74/21/302397421.db2.gz PPFQEUNECNPPPT-AWEZNQCLSA-N 1 1 341.419 0.278 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000271884442 436697274 /nfs/dbraw/zinc/69/72/74/436697274.db2.gz AACKBOBSJILWIE-NSHDSACASA-N 1 1 334.342 0.404 20 30 ECEDMO C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000151270201 436699727 /nfs/dbraw/zinc/69/97/27/436699727.db2.gz RXHCFBCLMVESKH-XJKSGUPXSA-N 1 1 332.404 0.955 20 30 ECEDMO C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000151270201 436699729 /nfs/dbraw/zinc/69/97/29/436699729.db2.gz RXHCFBCLMVESKH-XJKSGUPXSA-N 1 1 332.404 0.955 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000270149539 436671748 /nfs/dbraw/zinc/67/17/48/436671748.db2.gz FVJVDFOQZCIXBX-OAHLLOKOSA-N 1 1 342.399 0.284 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)nn1CCC#N ZINC000271053548 436676996 /nfs/dbraw/zinc/67/69/96/436676996.db2.gz XPUMBKBRTNMDMI-ZDUSSCGKSA-N 1 1 346.435 0.892 20 30 ECEDMO N#CCCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000273077025 436733441 /nfs/dbraw/zinc/73/34/41/436733441.db2.gz GAOXFFODEUMRJX-UHFFFAOYSA-N 1 1 344.415 0.920 20 30 ECEDMO C[NH+]1CCN([C@H](C(=O)N2CCN(CC#N)CC2)c2ccccc2)CC1 ZINC000152653391 436737425 /nfs/dbraw/zinc/73/74/25/436737425.db2.gz DLHVEFUNWRHXJS-SFHVURJKSA-N 1 1 341.459 0.643 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000068191609 436737994 /nfs/dbraw/zinc/73/79/94/436737994.db2.gz DENWHHRMUWZWLR-UHFFFAOYSA-N 1 1 337.445 0.929 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000152704998 436738308 /nfs/dbraw/zinc/73/83/08/436738308.db2.gz XTEVTBUTLRHLKF-UHFFFAOYSA-N 1 1 345.447 0.739 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153331604 436754966 /nfs/dbraw/zinc/75/49/66/436754966.db2.gz RTNZEANVULXZGD-SNVBAGLBSA-N 1 1 349.439 0.741 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153332030 436755075 /nfs/dbraw/zinc/75/50/75/436755075.db2.gz HYOLCTLHKUADMV-SNVBAGLBSA-N 1 1 335.412 0.351 20 30 ECEDMO C=CC[C@H](CO)NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248559249 436803574 /nfs/dbraw/zinc/80/35/74/436803574.db2.gz IZQXBBWWEAOWAZ-IAGOWNOFSA-N 1 1 333.432 0.989 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293022735 436844642 /nfs/dbraw/zinc/84/46/42/436844642.db2.gz QVOAGZXRFSSKJN-UKRRQHHQSA-N 1 1 334.424 0.415 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293022735 436844647 /nfs/dbraw/zinc/84/46/47/436844647.db2.gz QVOAGZXRFSSKJN-UKRRQHHQSA-N 1 1 334.424 0.415 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000131017557 436846017 /nfs/dbraw/zinc/84/60/17/436846017.db2.gz FZNAUAYMMDCPST-OAHLLOKOSA-N 1 1 336.436 0.319 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131303219 436850081 /nfs/dbraw/zinc/85/00/81/436850081.db2.gz GFZFAUKTGMWLAQ-GOEBONIOSA-N 1 1 349.479 0.409 20 30 ECEDMO CN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000131823000 436858194 /nfs/dbraw/zinc/85/81/94/436858194.db2.gz COMKWNXHKXIEQB-UHFFFAOYSA-N 1 1 344.415 0.912 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCC[N@H+](C)CC#C ZINC000293299710 436864911 /nfs/dbraw/zinc/86/49/11/436864911.db2.gz HKLVOTFYXNEUOQ-UHFFFAOYSA-N 1 1 345.374 0.848 20 30 ECEDMO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000157497900 436828991 /nfs/dbraw/zinc/82/89/91/436828991.db2.gz OVMKXOXNRDDCRV-SWLSCSKDSA-N 1 1 330.388 0.123 20 30 ECEDMO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000157497900 436828994 /nfs/dbraw/zinc/82/89/94/436828994.db2.gz OVMKXOXNRDDCRV-SWLSCSKDSA-N 1 1 330.388 0.123 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000293917120 436918678 /nfs/dbraw/zinc/91/86/78/436918678.db2.gz GQBMMBQBVFTJKD-UHFFFAOYSA-N 1 1 328.372 0.053 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000293955103 436921869 /nfs/dbraw/zinc/92/18/69/436921869.db2.gz KOMJGLYSITWTDB-UHFFFAOYSA-N 1 1 346.387 0.704 20 30 ECEDMO Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@H](N3CC=CC3)C2)n1C ZINC000262012274 436901420 /nfs/dbraw/zinc/90/14/20/436901420.db2.gz WWQQYMXVGYLTJO-HNNXBMFYSA-N 1 1 329.452 0.678 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162696629 436910186 /nfs/dbraw/zinc/91/01/86/436910186.db2.gz BWKRUSVXVXQLHE-HOTGVXAUSA-N 1 1 349.479 0.233 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000294034350 436928666 /nfs/dbraw/zinc/92/86/66/436928666.db2.gz RVXJZLYLVQCBNK-WBVHZDCISA-N 1 1 328.416 0.672 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000298138410 437029777 /nfs/dbraw/zinc/02/97/77/437029777.db2.gz ZWCLXDACFDGHPB-OAHLLOKOSA-N 1 1 335.429 0.749 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)CC1 ZINC000281612372 436984840 /nfs/dbraw/zinc/98/48/40/436984840.db2.gz MZAQRWNXCMLXHY-CQSZACIVSA-N 1 1 328.420 0.730 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000172065621 436996619 /nfs/dbraw/zinc/99/66/19/436996619.db2.gz AUYBNBYJSIXTBF-UHFFFAOYSA-N 1 1 349.456 0.901 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284518523 437055962 /nfs/dbraw/zinc/05/59/62/437055962.db2.gz JVYWIZFDRXVLQS-UHFFFAOYSA-N 1 1 345.443 0.870 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284518523 437055965 /nfs/dbraw/zinc/05/59/65/437055965.db2.gz JVYWIZFDRXVLQS-UHFFFAOYSA-N 1 1 345.443 0.870 20 30 ECEDMO N#CCOc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000264739479 437074942 /nfs/dbraw/zinc/07/49/42/437074942.db2.gz JLUUUUHXKDSFCF-MRXNPFEDSA-N 1 1 344.415 0.587 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)c1 ZINC000174695630 437085451 /nfs/dbraw/zinc/08/54/51/437085451.db2.gz DASZPDMFGKZZFB-INIZCTEOSA-N 1 1 329.400 0.786 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)c1 ZINC000174695630 437085454 /nfs/dbraw/zinc/08/54/54/437085454.db2.gz DASZPDMFGKZZFB-INIZCTEOSA-N 1 1 329.400 0.786 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000286630886 437110958 /nfs/dbraw/zinc/11/09/58/437110958.db2.gz ZRBLKDLJGBHWEV-UONOGXRCSA-N 1 1 325.478 0.965 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CO)CC1 ZINC000305756533 437165104 /nfs/dbraw/zinc/16/51/04/437165104.db2.gz BDRBVXBJQHJWSE-IKGGRYGDSA-N 1 1 336.480 0.772 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000175936335 437124490 /nfs/dbraw/zinc/12/44/90/437124490.db2.gz VQJVCWYKKGVPED-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO O=S1(=O)C[C@H]([NH2+]CC#Cc2ccccc2)[C@@H](N2CCOCC2)C1 ZINC000276936074 437177248 /nfs/dbraw/zinc/17/72/48/437177248.db2.gz JHZJDXYAHMSLBE-IRXDYDNUSA-N 1 1 334.441 0.126 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000331984043 437190362 /nfs/dbraw/zinc/19/03/62/437190362.db2.gz MSOFLOJZSILACT-WDEREUQCSA-N 1 1 329.422 0.225 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000331984043 437190365 /nfs/dbraw/zinc/19/03/65/437190365.db2.gz MSOFLOJZSILACT-WDEREUQCSA-N 1 1 329.422 0.225 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)CCO1 ZINC000332043389 437200493 /nfs/dbraw/zinc/20/04/93/437200493.db2.gz JWVWFKWYDHYIEN-CQSZACIVSA-N 1 1 343.431 1.077 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000332054591 437202378 /nfs/dbraw/zinc/20/23/78/437202378.db2.gz WYAMNCVVMMYMSR-WFASDCNBSA-N 1 1 327.450 0.879 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000332054591 437202381 /nfs/dbraw/zinc/20/23/81/437202381.db2.gz WYAMNCVVMMYMSR-WFASDCNBSA-N 1 1 327.450 0.879 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000178421173 437214311 /nfs/dbraw/zinc/21/43/11/437214311.db2.gz WXPUELCEZLQURA-UHFFFAOYSA-N 1 1 332.404 0.890 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000332380472 437215050 /nfs/dbraw/zinc/21/50/50/437215050.db2.gz OHAYEPCCRFQHAJ-JLZZUVOBSA-N 1 1 346.435 0.336 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000325387464 437230062 /nfs/dbraw/zinc/23/00/62/437230062.db2.gz BOSLIKQKAYGPSF-UXLLHSPISA-N 1 1 329.400 0.898 20 30 ECEDMO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277799799 437256136 /nfs/dbraw/zinc/25/61/36/437256136.db2.gz KNMFKRGFJPNTDP-HOTGVXAUSA-N 1 1 326.400 0.870 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277799799 437256142 /nfs/dbraw/zinc/25/61/42/437256142.db2.gz KNMFKRGFJPNTDP-HOTGVXAUSA-N 1 1 326.400 0.870 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000181215496 437313877 /nfs/dbraw/zinc/31/38/77/437313877.db2.gz POSQEFZMPOIARL-UHFFFAOYSA-N 1 1 346.435 0.664 20 30 ECEDMO C=C(C)CN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CC(=C)C)CC1 ZINC000181252648 437315743 /nfs/dbraw/zinc/31/57/43/437315743.db2.gz SIXLJYNAZFIZRM-UHFFFAOYSA-N 1 1 336.480 0.673 20 30 ECEDMO C=C(C)CN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CC(=C)C)CC1 ZINC000181252648 437315747 /nfs/dbraw/zinc/31/57/47/437315747.db2.gz SIXLJYNAZFIZRM-UHFFFAOYSA-N 1 1 336.480 0.673 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)n1C ZINC000329115137 437320005 /nfs/dbraw/zinc/32/00/05/437320005.db2.gz MLGZEMLADYIFAF-WBMJQRKESA-N 1 1 337.424 0.828 20 30 ECEDMO C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000336870353 437300278 /nfs/dbraw/zinc/30/02/78/437300278.db2.gz IYXBQULKMPIAJQ-HUUCEWRRSA-N 1 1 338.429 0.664 20 30 ECEDMO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000336870353 437300281 /nfs/dbraw/zinc/30/02/81/437300281.db2.gz IYXBQULKMPIAJQ-HUUCEWRRSA-N 1 1 338.429 0.664 20 30 ECEDMO Cn1c(=O)c2cc(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)cnc2n(C)c1=O ZINC000329335480 437353140 /nfs/dbraw/zinc/35/31/40/437353140.db2.gz XSKAVVBJUMVQRV-NSHDSACASA-N 1 1 343.387 0.174 20 30 ECEDMO C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000329361407 437357856 /nfs/dbraw/zinc/35/78/56/437357856.db2.gz YNFSOZMGMXPKOW-KBPBESRZSA-N 1 1 326.441 0.469 20 30 ECEDMO Cc1ccc2c(c1)C(=O)N(CC(=O)NC[C@H]1CN(C)CCN1C)C2=O ZINC000329402721 437363698 /nfs/dbraw/zinc/36/36/98/437363698.db2.gz ZMTYUMPSDZCTOP-ZDUSSCGKSA-N 1 1 344.415 0.793 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000329422774 437367465 /nfs/dbraw/zinc/36/74/65/437367465.db2.gz HQAIIPWOKMXSBD-MLGOLLRUSA-N 1 1 337.424 0.605 20 30 ECEDMO CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000329160633 437328834 /nfs/dbraw/zinc/32/88/34/437328834.db2.gz YISDMHKXYUZERJ-LLVKDONJSA-N 1 1 331.376 0.823 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000337148782 437336764 /nfs/dbraw/zinc/33/67/64/437336764.db2.gz HLKLHTVHRNVZKA-CQSZACIVSA-N 1 1 344.481 0.652 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000338343078 437405563 /nfs/dbraw/zinc/40/55/63/437405563.db2.gz HWKGGSTWQWIHIJ-NEPJUHHUSA-N 1 1 332.408 0.639 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000338343078 437405566 /nfs/dbraw/zinc/40/55/66/437405566.db2.gz HWKGGSTWQWIHIJ-NEPJUHHUSA-N 1 1 332.408 0.639 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000338347601 437405643 /nfs/dbraw/zinc/40/56/43/437405643.db2.gz IGVNPJUTFYZOHQ-UHFFFAOYSA-N 1 1 344.371 0.226 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000338347601 437405647 /nfs/dbraw/zinc/40/56/47/437405647.db2.gz IGVNPJUTFYZOHQ-UHFFFAOYSA-N 1 1 344.371 0.226 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000329751712 437409642 /nfs/dbraw/zinc/40/96/42/437409642.db2.gz VVOOSGBPRFIGGD-ZFWWWQNUSA-N 1 1 329.466 0.481 20 30 ECEDMO CS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000329916663 437431602 /nfs/dbraw/zinc/43/16/02/437431602.db2.gz ZAMUKVSCGPYLLM-KGLIPLIRSA-N 1 1 344.481 0.147 20 30 ECEDMO CN1CCO[C@@H]2C[N@@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000329895537 437426580 /nfs/dbraw/zinc/42/65/80/437426580.db2.gz BZRNFQFKQMTHHM-BZUAXINKSA-N 1 1 340.383 0.205 20 30 ECEDMO CN1CCO[C@@H]2C[N@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000329895537 437426583 /nfs/dbraw/zinc/42/65/83/437426583.db2.gz BZRNFQFKQMTHHM-BZUAXINKSA-N 1 1 340.383 0.205 20 30 ECEDMO CC[C@H](NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)C(=O)N1CCOCC1 ZINC000329516365 437377955 /nfs/dbraw/zinc/37/79/55/437377955.db2.gz DLFVWUHMBLUKMH-KKUMJFAQSA-N 1 1 338.452 0.564 20 30 ECEDMO CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCN(C)C1=O ZINC000329517051 437378874 /nfs/dbraw/zinc/37/88/74/437378874.db2.gz PDYADAXFYOAFDL-CYBMUJFWSA-N 1 1 325.457 0.089 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000329589335 437387197 /nfs/dbraw/zinc/38/71/97/437387197.db2.gz NEKQBLZAJOQYSE-OTSWZTIHSA-N 1 1 331.482 0.853 20 30 ECEDMO NC(=O)C1([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000183829679 437394486 /nfs/dbraw/zinc/39/44/86/437394486.db2.gz CHSXRRQWTDVFDU-UHFFFAOYSA-N 1 1 339.317 0.781 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)CC1 ZINC000329678136 437400812 /nfs/dbraw/zinc/40/08/12/437400812.db2.gz VKYVTFXPOXBHJD-GXTWGEPZSA-N 1 1 329.466 0.964 20 30 ECEDMO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@H](Cn2cccn2)C1 ZINC000330239292 437473480 /nfs/dbraw/zinc/47/34/80/437473480.db2.gz BBVLSFSKMNGVNG-KGLIPLIRSA-N 1 1 330.392 0.709 20 30 ECEDMO C[C@@H](Cn1cncn1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000330254620 437475839 /nfs/dbraw/zinc/47/58/39/437475839.db2.gz JNEPFPPHBABEGN-KBPBESRZSA-N 1 1 336.440 0.766 20 30 ECEDMO CC(C)N1C[C@@H](NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000330265771 437476147 /nfs/dbraw/zinc/47/61/47/437476147.db2.gz ZQZKTBUOYYZIPN-KGLIPLIRSA-N 1 1 325.457 0.135 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000289759109 437440004 /nfs/dbraw/zinc/44/00/04/437440004.db2.gz QWYXVXJFJCVFDZ-IMJJTQAJSA-N 1 1 335.448 0.850 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N1CC[C@H](N2CCCC2=O)C1 ZINC000330048302 437449001 /nfs/dbraw/zinc/44/90/01/437449001.db2.gz IJXNXTPEPLKZJL-ZDUSSCGKSA-N 1 1 326.466 0.646 20 30 ECEDMO C[N@H+]1CCN(CCNS(=O)(=O)c2cncc(C#N)c2)CC1(C)C ZINC000290061036 437460612 /nfs/dbraw/zinc/46/06/12/437460612.db2.gz FBZQXIMOZTYNNL-UHFFFAOYSA-N 1 1 337.449 0.258 20 30 ECEDMO COCCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000186159002 437462474 /nfs/dbraw/zinc/46/24/74/437462474.db2.gz AAWAKSSRPYWBDH-UHFFFAOYSA-N 1 1 330.432 0.747 20 30 ECEDMO CC[C@@H]1CN(C(=O)NCc2nnc3n2CCC3)C[C@H]1[NH+]1CCOCC1 ZINC000330163017 437463586 /nfs/dbraw/zinc/46/35/86/437463586.db2.gz AQQWWIFVECRHTM-ZIAGYGMSSA-N 1 1 348.451 0.681 20 30 ECEDMO CCOCCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000330379228 437495666 /nfs/dbraw/zinc/49/56/66/437495666.db2.gz GRGFWIIQIZGCHB-UHFFFAOYSA-N 1 1 326.441 0.423 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000330411540 437505163 /nfs/dbraw/zinc/50/51/63/437505163.db2.gz KKNUZXKNLRXMJA-BFHYXJOUSA-N 1 1 332.470 0.554 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330444539 437512916 /nfs/dbraw/zinc/51/29/16/437512916.db2.gz CMJLLJWEKYGJET-STQMWFEESA-N 1 1 330.454 0.008 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330444539 437512924 /nfs/dbraw/zinc/51/29/24/437512924.db2.gz CMJLLJWEKYGJET-STQMWFEESA-N 1 1 330.454 0.008 20 30 ECEDMO C[C@@H](CNC(=O)c1coc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000330479332 437525565 /nfs/dbraw/zinc/52/55/65/437525565.db2.gz LZMGBEYSHFPAFE-JTQLQIEISA-N 1 1 331.394 0.200 20 30 ECEDMO C#CCOc1ccccc1NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000188063837 437525782 /nfs/dbraw/zinc/52/57/82/437525782.db2.gz WLJRZHGCZGZEMQ-UHFFFAOYSA-N 1 1 344.415 0.984 20 30 ECEDMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(C(=O)NCCCO)CC2)C1 ZINC000330481281 437527169 /nfs/dbraw/zinc/52/71/69/437527169.db2.gz PFKLBWURHBTSFR-OAHLLOKOSA-N 1 1 340.468 0.595 20 30 ECEDMO C[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)CN1CCN(C)CC1 ZINC000354116058 437535069 /nfs/dbraw/zinc/53/50/69/437535069.db2.gz WBXWOBLOWZGYRR-AWEZNQCLSA-N 1 1 328.482 0.483 20 30 ECEDMO C[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)C[NH+]1CCN(C)CC1 ZINC000354116058 437535077 /nfs/dbraw/zinc/53/50/77/437535077.db2.gz WBXWOBLOWZGYRR-AWEZNQCLSA-N 1 1 328.482 0.483 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)c2c[nH]nc2[C@@H]2CCOC2)CC1 ZINC000330362872 437491024 /nfs/dbraw/zinc/49/10/24/437491024.db2.gz ZZOGRXUQIWCORT-GFCCVEGCSA-N 1 1 335.408 0.382 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188683384 437564112 /nfs/dbraw/zinc/56/41/12/437564112.db2.gz INKYSCVBVRXYLF-HNNXBMFYSA-N 1 1 342.399 0.642 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC000330632596 437573691 /nfs/dbraw/zinc/57/36/91/437573691.db2.gz IIEQDFKXHLHHDI-KGLIPLIRSA-N 1 1 327.425 0.895 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)nn1CCC#N ZINC000343426044 437579903 /nfs/dbraw/zinc/57/99/03/437579903.db2.gz LYTGQRYQLURKEU-CHWSQXEVSA-N 1 1 332.408 0.595 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000330671935 437584878 /nfs/dbraw/zinc/58/48/78/437584878.db2.gz NNGDIDKPSFVPDZ-CYBMUJFWSA-N 1 1 337.445 0.927 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000330671935 437584883 /nfs/dbraw/zinc/58/48/83/437584883.db2.gz NNGDIDKPSFVPDZ-CYBMUJFWSA-N 1 1 337.445 0.927 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000360718446 437635949 /nfs/dbraw/zinc/63/59/49/437635949.db2.gz YBHXRWAIZZKIFQ-UHFFFAOYSA-N 1 1 344.477 0.739 20 30 ECEDMO CC(C)[C@H](C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000330911432 437648161 /nfs/dbraw/zinc/64/81/61/437648161.db2.gz GCAHJAMTANXCBG-LSDHHAIUSA-N 1 1 336.436 0.364 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000360973024 437653489 /nfs/dbraw/zinc/65/34/89/437653489.db2.gz RGILJFGCOPTTPU-SJORKVTESA-N 1 1 335.496 0.706 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)NC2CCC(S(C)(=O)=O)CC2)C1 ZINC000330937537 437654543 /nfs/dbraw/zinc/65/45/43/437654543.db2.gz UPMQGONTBOKNEM-ROKHWSDSSA-N 1 1 347.481 0.567 20 30 ECEDMO COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292182309 437668353 /nfs/dbraw/zinc/66/83/53/437668353.db2.gz MOFZWDWZIKVKBH-CYBMUJFWSA-N 1 1 332.360 0.086 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000291760397 437625460 /nfs/dbraw/zinc/62/54/60/437625460.db2.gz LCWOGRQIJROHLK-DLBZAZTESA-N 1 1 344.463 0.822 20 30 ECEDMO CC(C)N1C[C@H](NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000331225678 437721576 /nfs/dbraw/zinc/72/15/76/437721576.db2.gz XNCNUBSIIDINSR-QLFBSQMISA-N 1 1 340.468 0.951 20 30 ECEDMO CC(C)N1C[C@H](NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000331225678 437721578 /nfs/dbraw/zinc/72/15/78/437721578.db2.gz XNCNUBSIIDINSR-QLFBSQMISA-N 1 1 340.468 0.951 20 30 ECEDMO CNC(=O)CN1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000363132541 437771696 /nfs/dbraw/zinc/77/16/96/437771696.db2.gz DGLTZUNKWHDOAV-UHFFFAOYSA-N 1 1 343.431 0.641 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000292802259 437724029 /nfs/dbraw/zinc/72/40/29/437724029.db2.gz ZJEKNQYRFATFLY-UHFFFAOYSA-N 1 1 349.391 0.942 20 30 ECEDMO CC[N@H+]1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000362310965 437730737 /nfs/dbraw/zinc/73/07/37/437730737.db2.gz YQQKCIFTZNJVBI-QGZVFWFLSA-N 1 1 335.496 0.706 20 30 ECEDMO COCc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ncn1 ZINC000331289859 437734388 /nfs/dbraw/zinc/73/43/88/437734388.db2.gz JMXAJNLMYYDZOV-GFCCVEGCSA-N 1 1 337.424 0.946 20 30 ECEDMO COC(=O)CN(CC#N)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000345520272 437792200 /nfs/dbraw/zinc/79/22/00/437792200.db2.gz HACXPJUWLBGRTM-MRXNPFEDSA-N 1 1 345.399 0.803 20 30 ECEDMO COC(=O)CN(CC#N)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000345520272 437792208 /nfs/dbraw/zinc/79/22/08/437792208.db2.gz HACXPJUWLBGRTM-MRXNPFEDSA-N 1 1 345.399 0.803 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363855534 437805911 /nfs/dbraw/zinc/80/59/11/437805911.db2.gz OKXFINZZCLHJLH-HUUCEWRRSA-N 1 1 328.368 0.746 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000346419691 437811264 /nfs/dbraw/zinc/81/12/64/437811264.db2.gz XUJRTIKWSPRYHB-OAHLLOKOSA-N 1 1 335.496 0.895 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000364218382 437812102 /nfs/dbraw/zinc/81/21/02/437812102.db2.gz PBJGLDDXEYQLNV-VBNZEHGJSA-N 1 1 335.379 0.888 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000364218382 437812106 /nfs/dbraw/zinc/81/21/06/437812106.db2.gz PBJGLDDXEYQLNV-VBNZEHGJSA-N 1 1 335.379 0.888 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000365241658 437880083 /nfs/dbraw/zinc/88/00/83/437880083.db2.gz RWAPWADKZWLBNJ-SJORKVTESA-N 1 1 349.479 0.725 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000341890118 437921793 /nfs/dbraw/zinc/92/17/93/437921793.db2.gz GGMNYDLPZILTAO-CQSZACIVSA-N 1 1 333.502 0.138 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000341890118 437921798 /nfs/dbraw/zinc/92/17/98/437921798.db2.gz GGMNYDLPZILTAO-CQSZACIVSA-N 1 1 333.502 0.138 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@]23CCOC3)CC1 ZINC000341959160 437933177 /nfs/dbraw/zinc/93/31/77/437933177.db2.gz WAUTWZMEUWQOOP-SJLPKXTDSA-N 1 1 334.464 0.934 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000342027680 437949403 /nfs/dbraw/zinc/94/94/03/437949403.db2.gz WSXMXDOEDNNSMP-UHFFFAOYSA-N 1 1 339.436 0.019 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)nn1 ZINC000425394933 438024885 /nfs/dbraw/zinc/02/48/85/438024885.db2.gz GOFFEJAPOXMYLZ-OAHLLOKOSA-N 1 1 336.440 0.620 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000425858912 438045132 /nfs/dbraw/zinc/04/51/32/438045132.db2.gz DLKCRMQEWAFKRB-MJBXVCDLSA-N 1 1 335.404 0.706 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)C1 ZINC000372169488 438045211 /nfs/dbraw/zinc/04/52/11/438045211.db2.gz NQNOOCNXXKKQMI-HNNXBMFYSA-N 1 1 325.372 0.895 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)C1 ZINC000372169488 438045213 /nfs/dbraw/zinc/04/52/13/438045213.db2.gz NQNOOCNXXKKQMI-HNNXBMFYSA-N 1 1 325.372 0.895 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000425908907 438047305 /nfs/dbraw/zinc/04/73/05/438047305.db2.gz LBCXXJMAYYSMSA-UGUYLWEFSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000425910650 438048471 /nfs/dbraw/zinc/04/84/71/438048471.db2.gz XBORQZUVZZKEKP-VGWMRTNUSA-N 1 1 335.448 0.636 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426123741 438049024 /nfs/dbraw/zinc/04/90/24/438049024.db2.gz PMYUHHOKDCPSRN-NSHDSACASA-N 1 1 334.342 0.749 20 30 ECEDMO C=CCCC[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417985548 438096812 /nfs/dbraw/zinc/09/68/12/438096812.db2.gz PQEDXORLMLFLHK-CYBMUJFWSA-N 1 1 344.481 0.360 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000372237794 438054787 /nfs/dbraw/zinc/05/47/87/438054787.db2.gz UGRJBCIGDGBKEQ-QGZVFWFLSA-N 1 1 339.480 0.834 20 30 ECEDMO CN(C(=O)NCC(=O)NCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000358281706 438193437 /nfs/dbraw/zinc/19/34/37/438193437.db2.gz VGXYNGVKMHIXRY-OAHLLOKOSA-N 1 1 329.404 0.542 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000367130933 438168781 /nfs/dbraw/zinc/16/87/81/438168781.db2.gz LITYDLWUIFSGLM-ILXRZTDVSA-N 1 1 344.481 0.244 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000374664495 438222011 /nfs/dbraw/zinc/22/20/11/438222011.db2.gz QDLWJDFDECURSE-OAHLLOKOSA-N 1 1 343.362 1.542 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000374664495 438222013 /nfs/dbraw/zinc/22/20/13/438222013.db2.gz QDLWJDFDECURSE-OAHLLOKOSA-N 1 1 343.362 1.542 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(CCC[N@@H+]3C)CC2)C1=O ZINC000374861044 438235732 /nfs/dbraw/zinc/23/57/32/438235732.db2.gz XPGIUJCDPANWOP-UHFFFAOYSA-N 1 1 348.403 0.050 20 30 ECEDMO N#CCNC(=O)CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000358307290 438197678 /nfs/dbraw/zinc/19/76/78/438197678.db2.gz GDLLJSYQTOMZTM-UHFFFAOYSA-N 1 1 335.433 0.258 20 30 ECEDMO C#CCCCS(=O)(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376353881 438279223 /nfs/dbraw/zinc/27/92/23/438279223.db2.gz RTXRLBDPGATNKZ-HOTGVXAUSA-N 1 1 327.494 0.687 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(C#N)ccc2=O)C1 ZINC000419024386 438293833 /nfs/dbraw/zinc/29/38/33/438293833.db2.gz KSDOFQSGEYQCIE-HNNXBMFYSA-N 1 1 332.404 0.193 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000434714165 438319011 /nfs/dbraw/zinc/31/90/11/438319011.db2.gz NVADXEUWPQWCGP-DOMZBBRYSA-N 1 1 336.436 0.098 20 30 ECEDMO Cc1cc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nn1CCC#N ZINC000368462417 438334025 /nfs/dbraw/zinc/33/40/25/438334025.db2.gz QWWMYVNBQBYZFU-UONOGXRCSA-N 1 1 332.408 1.090 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000435104596 438345330 /nfs/dbraw/zinc/34/53/30/438345330.db2.gz RQHDOPNMFYWDAB-QGZVFWFLSA-N 1 1 347.419 0.236 20 30 ECEDMO CCCn1nc2c(cc1=O)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000368657015 438360408 /nfs/dbraw/zinc/36/04/08/438360408.db2.gz CWWQRXNXLCTYGA-ZDUSSCGKSA-N 1 1 331.420 0.772 20 30 ECEDMO CCCn1nc2c(cc1=O)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000368657015 438360412 /nfs/dbraw/zinc/36/04/12/438360412.db2.gz CWWQRXNXLCTYGA-ZDUSSCGKSA-N 1 1 331.420 0.772 20 30 ECEDMO C[C@](O)(CNC(=O)C1(c2cccc(C#N)c2)CC1)C[NH+]1CCOCC1 ZINC000435581043 438370530 /nfs/dbraw/zinc/37/05/30/438370530.db2.gz UEFPTEHESNRRSB-SFHVURJKSA-N 1 1 343.427 0.789 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000369123018 438424934 /nfs/dbraw/zinc/42/49/34/438424934.db2.gz WWUBSCKCLRNFGL-KGLIPLIRSA-N 1 1 330.454 0.119 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000369118434 438425631 /nfs/dbraw/zinc/42/56/31/438425631.db2.gz UXHHXEKHCVRHSF-ZIAGYGMSSA-N 1 1 330.454 0.119 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000352544312 438437583 /nfs/dbraw/zinc/43/75/83/438437583.db2.gz PYWGDMQVQMMBHV-KGLIPLIRSA-N 1 1 344.481 0.350 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000352544312 438437587 /nfs/dbraw/zinc/43/75/87/438437587.db2.gz PYWGDMQVQMMBHV-KGLIPLIRSA-N 1 1 344.481 0.350 20 30 ECEDMO CN1C(=O)CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1=O ZINC000391205211 438438910 /nfs/dbraw/zinc/43/89/10/438438910.db2.gz RSNOQJIYCZWLLP-CYBMUJFWSA-N 1 1 335.385 0.069 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000438206645 438470887 /nfs/dbraw/zinc/47/08/87/438470887.db2.gz JJNIBUJUMSNOTE-QGZVFWFLSA-N 1 1 348.403 0.772 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000421004304 438458704 /nfs/dbraw/zinc/45/87/04/438458704.db2.gz NYXGFIVXLVDEJB-IAGOWNOFSA-N 1 1 335.496 0.705 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)n1 ZINC000439341027 438508483 /nfs/dbraw/zinc/50/84/83/438508483.db2.gz LBIMLJYKSJTTRS-LBPRGKRZSA-N 1 1 332.408 0.827 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)n1 ZINC000442270342 438602501 /nfs/dbraw/zinc/60/25/01/438602501.db2.gz LEUZKXGPXTYVDJ-VXGBXAGGSA-N 1 1 332.408 0.825 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)n1 ZINC000442270342 438602503 /nfs/dbraw/zinc/60/25/03/438602503.db2.gz LEUZKXGPXTYVDJ-VXGBXAGGSA-N 1 1 332.408 0.825 20 30 ECEDMO Cc1ccc(C(=O)NCC[NH+]2CCC2)cc1S(=O)(=O)NCC#N ZINC000443956457 438656938 /nfs/dbraw/zinc/65/69/38/438656938.db2.gz JNKWLKBIISUEMU-UHFFFAOYSA-N 1 1 336.417 0.232 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000452110445 438643599 /nfs/dbraw/zinc/64/35/99/438643599.db2.gz ZBYJJHPTXSUVQX-JKSUJKDBSA-N 1 1 334.416 0.731 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000452110445 438643602 /nfs/dbraw/zinc/64/36/02/438643602.db2.gz ZBYJJHPTXSUVQX-JKSUJKDBSA-N 1 1 334.416 0.731 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000410845333 438664245 /nfs/dbraw/zinc/66/42/45/438664245.db2.gz WHXVCWLIVWYITP-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000410845333 438664247 /nfs/dbraw/zinc/66/42/47/438664247.db2.gz WHXVCWLIVWYITP-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](O)C(C)(C)C3)CC2)o1 ZINC000447873303 438679136 /nfs/dbraw/zinc/67/91/36/438679136.db2.gz HDLMNXQNUGUBLY-AWEZNQCLSA-N 1 1 347.419 0.206 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412117299 438685288 /nfs/dbraw/zinc/68/52/88/438685288.db2.gz ZAJYMUTXFBDWFU-XJADACSNSA-N 1 1 337.464 0.981 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412117299 438685294 /nfs/dbraw/zinc/68/52/94/438685294.db2.gz ZAJYMUTXFBDWFU-XJADACSNSA-N 1 1 337.464 0.981 20 30 ECEDMO C[C@H]1C[C@]1(C#N)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000448847004 438685529 /nfs/dbraw/zinc/68/55/29/438685529.db2.gz JUSVCPCTQIWXSD-HNAYVOBHSA-N 1 1 340.427 0.997 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(C#N)c2)C1 ZINC000453656632 438687243 /nfs/dbraw/zinc/68/72/43/438687243.db2.gz VQYQPZKUPAVOPG-CQSZACIVSA-N 1 1 330.388 0.642 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)NCC#Cc2cccc(F)c2)CC[N@@H+](C)C1 ZINC000413532736 438694095 /nfs/dbraw/zinc/69/40/95/438694095.db2.gz NGQCVFGGDYMASN-OAHLLOKOSA-N 1 1 347.390 0.923 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000451340922 438697961 /nfs/dbraw/zinc/69/79/61/438697961.db2.gz XTIALBAJMGQKKG-PBHICJAKSA-N 1 1 331.372 0.596 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000451340922 438697965 /nfs/dbraw/zinc/69/79/65/438697965.db2.gz XTIALBAJMGQKKG-PBHICJAKSA-N 1 1 331.372 0.596 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451622574 438700982 /nfs/dbraw/zinc/70/09/82/438700982.db2.gz GPDBLAZFSBRBME-SOUVJXGZSA-N 1 1 330.384 0.359 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000575210292 438742155 /nfs/dbraw/zinc/74/21/55/438742155.db2.gz NJKQPVJMNWQARC-KGLIPLIRSA-N 1 1 331.420 0.782 20 30 ECEDMO C[N@@H+]1CCN(c2cncc(C#N)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000497004161 438756048 /nfs/dbraw/zinc/75/60/48/438756048.db2.gz OXUDPSLMWDUPOU-ZDUSSCGKSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2cncc(C#N)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000497004161 438756050 /nfs/dbraw/zinc/75/60/50/438756050.db2.gz OXUDPSLMWDUPOU-ZDUSSCGKSA-N 1 1 332.408 0.993 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@H](CC#N)C1)c(=O)n2C ZINC000595616132 438834194 /nfs/dbraw/zinc/83/41/94/438834194.db2.gz PZDFZXKPIYAMSX-CYBMUJFWSA-N 1 1 344.419 0.449 20 30 ECEDMO COCCOC[C@@H](O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629738 438837015 /nfs/dbraw/zinc/83/70/15/438837015.db2.gz JPOOWYMMPBHIBU-ZDUSSCGKSA-N 1 1 325.434 0.766 20 30 ECEDMO CC(C)N1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1=O ZINC000516175428 438895664 /nfs/dbraw/zinc/89/56/64/438895664.db2.gz OSOBDCARDCPKCD-ZDUSSCGKSA-N 1 1 336.417 0.326 20 30 ECEDMO C=CCN(C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000578182066 438904046 /nfs/dbraw/zinc/90/40/46/438904046.db2.gz VTCBIZSUQNBBIB-ZIAGYGMSSA-N 1 1 337.445 0.956 20 30 ECEDMO C=CCC[C@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000458441774 438887702 /nfs/dbraw/zinc/88/77/02/438887702.db2.gz UOQUBGYJHMYPRH-UONOGXRCSA-N 1 1 326.441 0.200 20 30 ECEDMO C[C@@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)N1CC[NH+](C)CC1 ZINC000601676986 438953644 /nfs/dbraw/zinc/95/36/44/438953644.db2.gz HBDNZPBIQSTLTK-AWEZNQCLSA-N 1 1 327.432 0.817 20 30 ECEDMO C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000590745888 438953857 /nfs/dbraw/zinc/95/38/57/438953857.db2.gz HRBMJCIJBISGSV-QRQLOZEOSA-N 1 1 345.443 0.897 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000601742678 438964205 /nfs/dbraw/zinc/96/42/05/438964205.db2.gz XPNIKNHZYWRXGZ-TXEJJXNPSA-N 1 1 332.408 0.929 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000601742678 438964212 /nfs/dbraw/zinc/96/42/12/438964212.db2.gz XPNIKNHZYWRXGZ-TXEJJXNPSA-N 1 1 332.408 0.929 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000590971671 438970999 /nfs/dbraw/zinc/97/09/99/438970999.db2.gz DZOWZBNWSGEJRB-IKGGRYGDSA-N 1 1 334.464 0.790 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000459826153 439009708 /nfs/dbraw/zinc/00/97/08/439009708.db2.gz WBCHASDCZVXWFB-HUUCEWRRSA-N 1 1 325.453 0.715 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000459826153 439009712 /nfs/dbraw/zinc/00/97/12/439009712.db2.gz WBCHASDCZVXWFB-HUUCEWRRSA-N 1 1 325.453 0.715 20 30 ECEDMO COC[C@]1(C(N)=O)CCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000591646350 439046906 /nfs/dbraw/zinc/04/69/06/439046906.db2.gz BHTVTAFXMLSPLD-KRWDZBQOSA-N 1 1 333.388 0.912 20 30 ECEDMO COC[C@]1(C(N)=O)CCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000591646350 439046910 /nfs/dbraw/zinc/04/69/10/439046910.db2.gz BHTVTAFXMLSPLD-KRWDZBQOSA-N 1 1 333.388 0.912 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000597218648 439058470 /nfs/dbraw/zinc/05/84/70/439058470.db2.gz QXJVRCGNOICAMU-AWEZNQCLSA-N 1 1 341.477 0.079 20 30 ECEDMO CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000459936279 439041257 /nfs/dbraw/zinc/04/12/57/439041257.db2.gz IUUYVPZMYSNBGG-JKSUJKDBSA-N 1 1 326.400 0.679 20 30 ECEDMO N#CCC[C@@H](C#N)C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000591737523 439077539 /nfs/dbraw/zinc/07/75/39/439077539.db2.gz LANABJFOTYWJPP-UONOGXRCSA-N 1 1 328.438 0.508 20 30 ECEDMO C=CCn1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)nn1 ZINC000566732606 439083907 /nfs/dbraw/zinc/08/39/07/439083907.db2.gz DBXZOADZHIVDFH-AWEZNQCLSA-N 1 1 333.348 0.902 20 30 ECEDMO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000602933407 439165053 /nfs/dbraw/zinc/16/50/53/439165053.db2.gz CIHDBRPHZYJVTN-YCPHGPKFSA-N 1 1 340.420 0.710 20 30 ECEDMO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000602933407 439165056 /nfs/dbraw/zinc/16/50/56/439165056.db2.gz CIHDBRPHZYJVTN-YCPHGPKFSA-N 1 1 340.420 0.710 20 30 ECEDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000592195390 439177177 /nfs/dbraw/zinc/17/71/77/439177177.db2.gz KADOAPMCSVDWDU-UONOGXRCSA-N 1 1 331.372 0.743 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)Nc2cc(C)c(C#N)cn2)CC[N@@H+](C)C1 ZINC000603138708 439195952 /nfs/dbraw/zinc/19/59/52/439195952.db2.gz WDGGNNGXTOSSOL-CYBMUJFWSA-N 1 1 331.376 0.830 20 30 ECEDMO N#CCc1ccc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000592341023 439208729 /nfs/dbraw/zinc/20/87/29/439208729.db2.gz QSKFXCINUFOBOI-UHFFFAOYSA-N 1 1 346.456 0.534 20 30 ECEDMO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000598584974 439280355 /nfs/dbraw/zinc/28/03/55/439280355.db2.gz LJWHOJVXOAOYHS-MRXNPFEDSA-N 1 1 336.480 0.917 20 30 ECEDMO N#Cc1cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000603332441 439240514 /nfs/dbraw/zinc/24/05/14/439240514.db2.gz DJBOPRWAUBLMAC-UHFFFAOYSA-N 1 1 332.408 0.301 20 30 ECEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2ccccc2C#N)CC1 ZINC000603400832 439255339 /nfs/dbraw/zinc/25/53/39/439255339.db2.gz BRYWRPFBDSOQAU-UHFFFAOYSA-N 1 1 336.461 0.864 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)n1cnc(C#N)n1 ZINC000598366831 439256588 /nfs/dbraw/zinc/25/65/88/439256588.db2.gz FMGNSYHKBGQYIX-BFHYXJOUSA-N 1 1 344.419 0.470 20 30 ECEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc1N ZINC000603423241 439259471 /nfs/dbraw/zinc/25/94/71/439259471.db2.gz NBPLFWPUYGJUIX-OAHLLOKOSA-N 1 1 330.436 0.744 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)n(CCC#N)n1 ZINC000527375538 439269118 /nfs/dbraw/zinc/26/91/18/439269118.db2.gz KRACBLHSAMUDKT-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000490973329 439319598 /nfs/dbraw/zinc/31/95/98/439319598.db2.gz KGYVCTLCDSYPPT-HXUWFJFHSA-N 1 1 339.439 0.895 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000490973329 439319602 /nfs/dbraw/zinc/31/96/02/439319602.db2.gz KGYVCTLCDSYPPT-HXUWFJFHSA-N 1 1 339.439 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000491072428 439327636 /nfs/dbraw/zinc/32/76/36/439327636.db2.gz SCRPTLDJRNXBHB-SOUVJXGZSA-N 1 1 330.384 0.578 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000491120181 439333095 /nfs/dbraw/zinc/33/30/95/439333095.db2.gz LOEDAPOUAOBSKR-UHFFFAOYSA-N 1 1 335.429 0.408 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000491120181 439333099 /nfs/dbraw/zinc/33/30/99/439333099.db2.gz LOEDAPOUAOBSKR-UHFFFAOYSA-N 1 1 335.429 0.408 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000491125759 439334412 /nfs/dbraw/zinc/33/44/12/439334412.db2.gz GTQGHIYDLCBKMA-UONOGXRCSA-N 1 1 347.381 0.257 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000491125759 439334414 /nfs/dbraw/zinc/33/44/14/439334414.db2.gz GTQGHIYDLCBKMA-UONOGXRCSA-N 1 1 347.381 0.257 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000491123126 439335601 /nfs/dbraw/zinc/33/56/01/439335601.db2.gz ZQQQMBRUXBHWSQ-CABCVRRESA-N 1 1 337.420 0.496 20 30 ECEDMO CN(C[C@@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1)S(C)(=O)=O ZINC000598617808 439289305 /nfs/dbraw/zinc/28/93/05/439289305.db2.gz VVMFTUMDQOMOJY-KBPBESRZSA-N 1 1 331.482 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1coc(S(=O)(=O)NC)c1 ZINC000490871342 439305482 /nfs/dbraw/zinc/30/54/82/439305482.db2.gz BCBHEHQKCOYMNY-LBPRGKRZSA-N 1 1 326.374 0.442 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1coc(S(=O)(=O)NC)c1 ZINC000490871342 439305486 /nfs/dbraw/zinc/30/54/86/439305486.db2.gz BCBHEHQKCOYMNY-LBPRGKRZSA-N 1 1 326.374 0.442 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC2(CC1)[C@H](O)C[C@H]2OCC ZINC000491266956 439360004 /nfs/dbraw/zinc/36/00/04/439360004.db2.gz RJLJXMONPNJVKE-HZPDHXFCSA-N 1 1 337.464 0.903 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000491179842 439344897 /nfs/dbraw/zinc/34/48/97/439344897.db2.gz IDBQMCMDGKKJKQ-QWHCGFSZSA-N 1 1 334.338 0.890 20 30 ECEDMO COCCOCC[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000593116907 439345917 /nfs/dbraw/zinc/34/59/17/439345917.db2.gz MCKSOGVHGNMWTA-HNNXBMFYSA-N 1 1 338.452 0.218 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC000491202423 439348277 /nfs/dbraw/zinc/34/82/77/439348277.db2.gz ODDLKYJJPMXGQR-UHFFFAOYSA-N 1 1 342.392 0.846 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000491203226 439348552 /nfs/dbraw/zinc/34/85/52/439348552.db2.gz UHPKHTKGXKZZTC-GASCZTMLSA-N 1 1 329.400 0.357 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000569609089 439349490 /nfs/dbraw/zinc/34/94/90/439349490.db2.gz SRUNVQYDVIODNS-LBPRGKRZSA-N 1 1 338.389 0.967 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000569609089 439349496 /nfs/dbraw/zinc/34/94/96/439349496.db2.gz SRUNVQYDVIODNS-LBPRGKRZSA-N 1 1 338.389 0.967 20 30 ECEDMO C[NH+](C)CCN1CCC(CNC(=O)Cc2ccc(C#N)nc2)CC1 ZINC000528562841 439349554 /nfs/dbraw/zinc/34/95/54/439349554.db2.gz VXTSIMDRRFTLHJ-UHFFFAOYSA-N 1 1 329.448 0.886 20 30 ECEDMO C#CCNc1nc(NCc2cccnc2)[nH+]c(NCc2cccnc2)n1 ZINC000491221539 439353006 /nfs/dbraw/zinc/35/30/06/439353006.db2.gz XOCSVDXGALDMIO-UHFFFAOYSA-N 1 1 346.398 0.197 20 30 ECEDMO C#CCNc1nc(NCc2cccnc2)nc(NCc2cccnc2)[nH+]1 ZINC000491221539 439353012 /nfs/dbraw/zinc/35/30/12/439353012.db2.gz XOCSVDXGALDMIO-UHFFFAOYSA-N 1 1 346.398 0.197 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000491474930 439390086 /nfs/dbraw/zinc/39/00/86/439390086.db2.gz RBPTWKLXKYCLQH-UHFFFAOYSA-N 1 1 326.400 0.812 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@]1(CO)C[C@H](OCC)C1(C)C ZINC000491474059 439390112 /nfs/dbraw/zinc/39/01/12/439390112.db2.gz JSRHOYRXKIIPSA-WMLDXEAASA-N 1 1 325.453 0.807 20 30 ECEDMO C#CCN(CC#CC)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000491538333 439401332 /nfs/dbraw/zinc/40/13/32/439401332.db2.gz YEPZWEZHNIFJJZ-UHFFFAOYSA-N 1 1 333.432 0.536 20 30 ECEDMO C#CCNC(=O)CC[NH2+]CCCN1CCN(Cc2ccccc2)CC1 ZINC000491806959 439455261 /nfs/dbraw/zinc/45/52/61/439455261.db2.gz RZFNDXOOBMHGNR-UHFFFAOYSA-N 1 1 342.487 0.923 20 30 ECEDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599278102 439414156 /nfs/dbraw/zinc/41/41/56/439414156.db2.gz ADZYEDMPDHBVLP-ZIAGYGMSSA-N 1 1 345.465 0.071 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CC[NH+](C(COC)COC)CC2)nc1 ZINC000491664627 439422576 /nfs/dbraw/zinc/42/25/76/439422576.db2.gz JLPVLPXFEUUPEB-UHFFFAOYSA-N 1 1 346.431 0.228 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc2c(ncnc2N(C)C)n1C ZINC000491716856 439434581 /nfs/dbraw/zinc/43/45/81/439434581.db2.gz OUGXGXFHOHBAMR-UHFFFAOYSA-N 1 1 328.420 0.719 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000491717588 439435255 /nfs/dbraw/zinc/43/52/55/439435255.db2.gz WXBZOKJUQBGHBF-UHFFFAOYSA-N 1 1 335.354 0.862 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCOC[C@@H]1OCCOC ZINC000491764209 439445043 /nfs/dbraw/zinc/44/50/43/439445043.db2.gz BYTDFCBBXUMYDU-GJZGRUSLSA-N 1 1 327.425 0.061 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)c1 ZINC000491776177 439447598 /nfs/dbraw/zinc/44/75/98/439447598.db2.gz YTDDTBUFQKXSMF-HNNXBMFYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2CC)c1 ZINC000491776177 439447603 /nfs/dbraw/zinc/44/76/03/439447603.db2.gz YTDDTBUFQKXSMF-HNNXBMFYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000491569327 439408423 /nfs/dbraw/zinc/40/84/23/439408423.db2.gz VPZBKJLNLIZKFQ-CVEARBPZSA-N 1 1 337.464 0.808 20 30 ECEDMO Cn1cnnc1N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000594026178 439510173 /nfs/dbraw/zinc/51/01/73/439510173.db2.gz FGTURPFRDRPONX-HNNXBMFYSA-N 1 1 342.403 0.249 20 30 ECEDMO CC[N@@H+](C)C[C@H](O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000593963403 439503389 /nfs/dbraw/zinc/50/33/89/439503389.db2.gz KPNXHGLYGJKCQM-AWEZNQCLSA-N 1 1 333.436 0.858 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000491820509 439457570 /nfs/dbraw/zinc/45/75/70/439457570.db2.gz XUXOEMZHRQZDJJ-UHFFFAOYSA-N 1 1 348.422 0.739 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)n(CCC#N)n1 ZINC000532610993 439518553 /nfs/dbraw/zinc/51/85/53/439518553.db2.gz FUHWHJAKSWWAFF-CQSZACIVSA-N 1 1 346.435 0.842 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)n(CCC#N)n1 ZINC000532610993 439518557 /nfs/dbraw/zinc/51/85/57/439518557.db2.gz FUHWHJAKSWWAFF-CQSZACIVSA-N 1 1 346.435 0.842 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000599618631 439518905 /nfs/dbraw/zinc/51/89/05/439518905.db2.gz QTXZOSMGQGMNES-CQSZACIVSA-N 1 1 338.452 0.573 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC1 ZINC000599638582 439524141 /nfs/dbraw/zinc/52/41/41/439524141.db2.gz OLNJGQKRAIUGNI-JENIJYKNSA-N 1 1 348.491 0.773 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[NH+](C(C)C)CC2)n(CCC#N)n1 ZINC000533319816 439524702 /nfs/dbraw/zinc/52/47/02/439524702.db2.gz ULHBZRNWUCWNMO-UHFFFAOYSA-N 1 1 332.408 0.596 20 30 ECEDMO N#Cc1ccc(OCCNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000594229356 439527706 /nfs/dbraw/zinc/52/77/06/439527706.db2.gz IOYZFNGGYFNHRP-LSDHHAIUSA-N 1 1 330.388 0.397 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000536529450 439538231 /nfs/dbraw/zinc/53/82/31/439538231.db2.gz IGZMCIOZYQUDOS-MRXNPFEDSA-N 1 1 328.416 0.931 20 30 ECEDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 ZINC000594475160 439566532 /nfs/dbraw/zinc/56/65/32/439566532.db2.gz SIPIMENEOOYTDL-UHFFFAOYSA-N 1 1 346.497 0.899 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)C1 ZINC000609672328 439583703 /nfs/dbraw/zinc/58/37/03/439583703.db2.gz AATGBKHXVGUATO-WMZOPIPTSA-N 1 1 333.480 0.507 20 30 ECEDMO COc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)c(F)cc1C#N ZINC000599951627 439583999 /nfs/dbraw/zinc/58/39/99/439583999.db2.gz GXOKIFRNNRGBLA-LLVKDONJSA-N 1 1 334.351 0.855 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000584599199 439603090 /nfs/dbraw/zinc/60/30/90/439603090.db2.gz SCOOENVTLQXQAW-IRXDYDNUSA-N 1 1 333.432 0.539 20 30 ECEDMO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595138886 439660731 /nfs/dbraw/zinc/66/07/31/439660731.db2.gz HXOYWLTYRILTOY-SFHVURJKSA-N 1 1 349.479 0.233 20 30 ECEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595138886 439660734 /nfs/dbraw/zinc/66/07/34/439660734.db2.gz HXOYWLTYRILTOY-SFHVURJKSA-N 1 1 349.479 0.233 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000586863799 439664137 /nfs/dbraw/zinc/66/41/37/439664137.db2.gz ASSOUSPDHIRKLN-XHDPSFHLSA-N 1 1 348.378 0.149 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000586863799 439664141 /nfs/dbraw/zinc/66/41/41/439664141.db2.gz ASSOUSPDHIRKLN-XHDPSFHLSA-N 1 1 348.378 0.149 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000612414615 439703147 /nfs/dbraw/zinc/70/31/47/439703147.db2.gz NKBMCRLFUAPUNJ-LSDHHAIUSA-N 1 1 325.453 0.932 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595383741 439717774 /nfs/dbraw/zinc/71/77/74/439717774.db2.gz DYEIXTGSHFKJAM-LBPRGKRZSA-N 1 1 341.458 0.839 20 30 ECEDMO N#CCC(=O)N1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000574051845 439681433 /nfs/dbraw/zinc/68/14/33/439681433.db2.gz ZSNOTMZOYLVPJW-UHFFFAOYSA-N 1 1 344.371 0.802 20 30 ECEDMO COCC[N@@H+](CCN1C(=O)CN(C)C1=O)Cc1ccc(C#N)cc1 ZINC000595297298 439693210 /nfs/dbraw/zinc/69/32/10/439693210.db2.gz QTDMMJBQMZCAGH-UHFFFAOYSA-N 1 1 330.388 0.901 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000595469916 439731731 /nfs/dbraw/zinc/73/17/31/439731731.db2.gz JSDUEYMJKKWYLQ-HUUCEWRRSA-N 1 1 338.452 0.573 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595469916 439731733 /nfs/dbraw/zinc/73/17/33/439731733.db2.gz JSDUEYMJKKWYLQ-HUUCEWRRSA-N 1 1 338.452 0.573 20 30 ECEDMO N#CC[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000595492579 439734473 /nfs/dbraw/zinc/73/44/73/439734473.db2.gz XCNQUHSNYVTPIC-LSDHHAIUSA-N 1 1 335.452 0.909 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1 ZINC001041735314 782082329 /nfs/dbraw/zinc/08/23/29/782082329.db2.gz DSPWEYJAMWKLAI-PDOTXMHQSA-N 1 1 332.404 0.085 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(CC[N@H+](CC(=O)NC)C3)C2)nn1 ZINC001041733504 782080604 /nfs/dbraw/zinc/08/06/04/782080604.db2.gz XKUBVVDCVZFKIP-KRWDZBQOSA-N 1 1 346.435 0.138 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@](F)(C#N)C2)CC1 ZINC000615542907 439801888 /nfs/dbraw/zinc/80/18/88/439801888.db2.gz IVHFZPIWUUDFHM-ZBFHGGJFSA-N 1 1 325.432 0.907 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000615791729 439806523 /nfs/dbraw/zinc/80/65/23/439806523.db2.gz TXSIDAPTWGEFSK-HZPDHXFCSA-N 1 1 333.480 0.649 20 30 ECEDMO C=C[C@H](CO)[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC000641774190 439914826 /nfs/dbraw/zinc/91/48/26/439914826.db2.gz LMAPNOHUUHSRQT-CYBMUJFWSA-N 1 1 340.383 0.853 20 30 ECEDMO C=CCN(C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H](C)COC ZINC000663617924 440121835 /nfs/dbraw/zinc/12/18/35/440121835.db2.gz PDTNKVCCYRTPPU-CQSZACIVSA-N 1 1 326.441 0.383 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656341134 440779765 /nfs/dbraw/zinc/77/97/65/440779765.db2.gz WUOBZSQSSMPMJR-JJXSEGSLSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000662167854 440977626 /nfs/dbraw/zinc/97/76/26/440977626.db2.gz LXMDETMRRGXUCY-CYBMUJFWSA-N 1 1 330.392 0.663 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000546707551 322120571 /nfs/dbraw/zinc/12/05/71/322120571.db2.gz ISSRMSBGCFNJFU-UHFFFAOYSA-N 1 1 345.403 0.852 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000556499976 322192332 /nfs/dbraw/zinc/19/23/32/322192332.db2.gz QWYGFEMCDFBPRQ-GXTWGEPZSA-N 1 1 328.372 0.668 20 30 ECEDMO C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)S(C)(=O)=O ZINC000568976047 322639052 /nfs/dbraw/zinc/63/90/52/322639052.db2.gz QFTCULCHTPDWET-NSHDSACASA-N 1 1 330.431 0.355 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)ncc1C#N ZINC000577647412 322842147 /nfs/dbraw/zinc/84/21/47/322842147.db2.gz NLYJCTDOBMGYND-GFCCVEGCSA-N 1 1 345.403 0.285 20 30 ECEDMO C[C@](O)(CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000579091675 322885618 /nfs/dbraw/zinc/88/56/18/322885618.db2.gz LPAWOIHDQDDZKQ-SCTDSRPQSA-N 1 1 343.427 0.861 20 30 ECEDMO CC(C)COC[C@@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000154901690 528100741 /nfs/dbraw/zinc/10/07/41/528100741.db2.gz FXABNZZMDOUGNG-GJZGRUSLSA-N 1 1 333.436 0.892 20 30 ECEDMO CC(C)COC[C@@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000154901690 528100746 /nfs/dbraw/zinc/10/07/46/528100746.db2.gz FXABNZZMDOUGNG-GJZGRUSLSA-N 1 1 333.436 0.892 20 30 ECEDMO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CCN(C)CC2)C1 ZINC000328724394 546004818 /nfs/dbraw/zinc/00/48/18/546004818.db2.gz SSOLYGVFCOYRAR-JKSUJKDBSA-N 1 1 325.501 0.858 20 30 ECEDMO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CCN(C)CC2)C1 ZINC000328724394 546004821 /nfs/dbraw/zinc/00/48/21/546004821.db2.gz SSOLYGVFCOYRAR-JKSUJKDBSA-N 1 1 325.501 0.858 20 30 ECEDMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H](N2CCOCC2)C1 ZINC000329953688 546036847 /nfs/dbraw/zinc/03/68/47/546036847.db2.gz NKBHRPRZSKYOIH-GJZGRUSLSA-N 1 1 333.436 0.766 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC000619492437 546333915 /nfs/dbraw/zinc/33/39/15/546333915.db2.gz OZKUCFWZKDRGGJ-UHFFFAOYSA-N 1 1 345.428 0.997 20 30 ECEDMO C[C@@H](C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)n1cnc(C#N)n1 ZINC000619599855 546345293 /nfs/dbraw/zinc/34/52/93/546345293.db2.gz HKZNJXHNHUAEAP-STQMWFEESA-N 1 1 332.408 0.422 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000619873780 546376273 /nfs/dbraw/zinc/37/62/73/546376273.db2.gz WEFZIAYSVRYMFH-HNNXBMFYSA-N 1 1 344.415 0.452 20 30 ECEDMO C=C(CNC(=O)Cn1ccnc1C)CNC(=O)Cn1cc[nH+]c1C ZINC000620747790 546450548 /nfs/dbraw/zinc/45/05/48/546450548.db2.gz VCJCRMLAESYZBY-UHFFFAOYSA-N 1 1 330.392 0.185 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626171113 547309975 /nfs/dbraw/zinc/30/99/75/547309975.db2.gz VBYURSKYCVXKTQ-AWEZNQCLSA-N 1 1 331.482 0.672 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626171113 547309977 /nfs/dbraw/zinc/30/99/77/547309977.db2.gz VBYURSKYCVXKTQ-AWEZNQCLSA-N 1 1 331.482 0.672 20 30 ECEDMO C=C[C@@H](O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000668451036 547659833 /nfs/dbraw/zinc/65/98/33/547659833.db2.gz LIYWZCCTQGLZJM-HZPDHXFCSA-N 1 1 331.416 0.547 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668638933 547709114 /nfs/dbraw/zinc/70/91/14/547709114.db2.gz DCQQLZXKKRXOMX-DOTOQJQBSA-N 1 1 336.480 0.742 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668638933 547709118 /nfs/dbraw/zinc/70/91/18/547709118.db2.gz DCQQLZXKKRXOMX-DOTOQJQBSA-N 1 1 336.480 0.742 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000668685405 547725190 /nfs/dbraw/zinc/72/51/90/547725190.db2.gz LKWWHCQTJPIRFX-RDJZCZTQSA-N 1 1 338.496 0.847 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000668689470 547726582 /nfs/dbraw/zinc/72/65/82/547726582.db2.gz RZIDRDYCYHOYEB-QGZVFWFLSA-N 1 1 338.496 0.942 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000668689470 547726587 /nfs/dbraw/zinc/72/65/87/547726587.db2.gz RZIDRDYCYHOYEB-QGZVFWFLSA-N 1 1 338.496 0.942 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)NCc1ccc(C(=O)NO)cc1 ZINC000671996255 548251222 /nfs/dbraw/zinc/25/12/22/548251222.db2.gz FZBHIUPPQUZMAN-CQSZACIVSA-N 1 1 331.376 0.249 20 30 ECEDMO C[NH+]1CCN(C(C)(C)C(=O)NCc2ccc(C(=O)NO)cc2)CC1 ZINC000671997207 548251711 /nfs/dbraw/zinc/25/17/11/548251711.db2.gz PMKCQZDMGTUESN-UHFFFAOYSA-N 1 1 334.420 0.448 20 30 ECEDMO C=CCOCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000679516529 549101040 /nfs/dbraw/zinc/10/10/40/549101040.db2.gz GIXLJCLFODFARY-HNNXBMFYSA-N 1 1 339.436 0.019 20 30 ECEDMO N#CCCN1CC[NH+](CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000679671404 549115190 /nfs/dbraw/zinc/11/51/90/549115190.db2.gz IQERCTMQXPSCOH-UHFFFAOYSA-N 1 1 328.416 0.907 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001041776049 782178653 /nfs/dbraw/zinc/17/86/53/782178653.db2.gz VONANUBBLXYFPX-GOSISDBHSA-N 1 1 348.447 0.819 20 30 ECEDMO CON=Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000729359040 578295384 /nfs/dbraw/zinc/29/53/84/578295384.db2.gz AAHSAZGDMBKSBK-INIZCTEOSA-N 1 1 346.431 0.984 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cnn(CC#N)c2)CC1=O ZINC000729627041 578297579 /nfs/dbraw/zinc/29/75/79/578297579.db2.gz GSSUCIYEIFZFKD-ZFWWWQNUSA-N 1 1 344.419 0.678 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000730106513 578303434 /nfs/dbraw/zinc/30/34/34/578303434.db2.gz IKHWGHLREGLGIJ-KRWDZBQOSA-N 1 1 341.411 0.774 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000730106513 578303435 /nfs/dbraw/zinc/30/34/35/578303435.db2.gz IKHWGHLREGLGIJ-KRWDZBQOSA-N 1 1 341.411 0.774 20 30 ECEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNc1ccc(C#N)cn1 ZINC000730116338 578303557 /nfs/dbraw/zinc/30/35/57/578303557.db2.gz RHQZFIGDISIDHH-AWEZNQCLSA-N 1 1 345.451 0.300 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000730277090 578304430 /nfs/dbraw/zinc/30/44/30/578304430.db2.gz WZGHUMWDHRGNTP-INIZCTEOSA-N 1 1 349.456 0.320 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000730277090 578304431 /nfs/dbraw/zinc/30/44/31/578304431.db2.gz WZGHUMWDHRGNTP-INIZCTEOSA-N 1 1 349.456 0.320 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000730283776 578304725 /nfs/dbraw/zinc/30/47/25/578304725.db2.gz PHAZLOZUWJMPGX-HNNXBMFYSA-N 1 1 335.429 0.189 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000730283776 578304726 /nfs/dbraw/zinc/30/47/26/578304726.db2.gz PHAZLOZUWJMPGX-HNNXBMFYSA-N 1 1 335.429 0.189 20 30 ECEDMO CC(C)S(=O)(=O)NN=C1CC[NH+](CCN2CCOCC2)CC1 ZINC000731558003 578312976 /nfs/dbraw/zinc/31/29/76/578312976.db2.gz HDZQTEQERXMUIP-UHFFFAOYSA-N 1 1 332.470 0.098 20 30 ECEDMO O=C(NCC[NH2+]Cc1cn(-c2ccccc2)nn1)C1N=CC=CC1=O ZINC000733334143 578336151 /nfs/dbraw/zinc/33/61/51/578336151.db2.gz BKYXPJZKGXUQEK-WUKNDPDISA-N 1 1 338.371 0.883 20 30 ECEDMO C[NH+](C)[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccco1 ZINC000733886027 578348769 /nfs/dbraw/zinc/34/87/69/578348769.db2.gz DJGTUQXHWIBAOQ-WGKGOADCSA-N 1 1 346.387 0.915 20 30 ECEDMO CC(C)C[N@@H+](CC(=O)NCC#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735828036 578397353 /nfs/dbraw/zinc/39/73/53/578397353.db2.gz YTXCOUJPKNFUJR-UHFFFAOYSA-N 1 1 327.392 0.964 20 30 ECEDMO C(=NNCCC[NH+]1CCOCC1)c1cn(Cc2cccnc2)nn1 ZINC000799487799 578665999 /nfs/dbraw/zinc/66/59/99/578665999.db2.gz CDLVXHWVMVMVEA-UHFFFAOYSA-N 1 1 329.408 0.367 20 30 ECEDMO N#Cc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)nc1 ZINC000780474758 578694546 /nfs/dbraw/zinc/69/45/46/578694546.db2.gz DNBFWNCOBPYCPB-AWEZNQCLSA-N 1 1 344.419 0.340 20 30 ECEDMO CC1(C)CN(c2ccc(S(N)(=O)=O)cc2C#N)CC[N@H+]1CCO ZINC000780629542 578698188 /nfs/dbraw/zinc/69/81/88/578698188.db2.gz JLRXHIVXJKUZAF-UHFFFAOYSA-N 1 1 338.433 0.099 20 30 ECEDMO CCN1CC[NH+](CCCNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780887884 578702134 /nfs/dbraw/zinc/70/21/34/578702134.db2.gz IVCBHQGAJAQMLL-KRWDZBQOSA-N 1 1 330.432 0.735 20 30 ECEDMO C#CCC[NH+]1CCC(NC(=O)C(C)(C)S(=O)(=O)C2CC2)CC1 ZINC000786213347 578782327 /nfs/dbraw/zinc/78/23/27/578782327.db2.gz VVKFCJUPCSPLCN-UHFFFAOYSA-N 1 1 326.462 0.946 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2c[nH]c(C#N)c2)C1 ZINC000786906198 578796962 /nfs/dbraw/zinc/79/69/62/578796962.db2.gz FUBFLTJQHSUJDI-OAHLLOKOSA-N 1 1 348.403 0.516 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000789354655 578852446 /nfs/dbraw/zinc/85/24/46/578852446.db2.gz AWHBFQVTRJMJSJ-UHFFFAOYSA-N 1 1 331.482 0.667 20 30 ECEDMO COCCN(C)c1ccc(C=[NH+]NC2CCS(=O)(=O)CC2)cn1 ZINC000790174280 578869250 /nfs/dbraw/zinc/86/92/50/578869250.db2.gz RGKRKJXYCSBYJZ-UHFFFAOYSA-N 1 1 340.449 0.665 20 30 ECEDMO C[NH+]1CCN(c2ncc(C=[NH+][N-]c3nc4ccccn4n3)cn2)CC1 ZINC000790195365 578869604 /nfs/dbraw/zinc/86/96/04/578869604.db2.gz FDNWTVSQKUVRBK-UHFFFAOYSA-N 1 1 337.391 0.717 20 30 ECEDMO N#CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cn1 ZINC000765929227 579076053 /nfs/dbraw/zinc/07/60/53/579076053.db2.gz BYKPMHJTCUWQNU-AWEZNQCLSA-N 1 1 330.392 0.478 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000770302175 579164315 /nfs/dbraw/zinc/16/43/15/579164315.db2.gz KDIDPWTZQFIUKQ-XJKSGUPXSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000770302175 579164316 /nfs/dbraw/zinc/16/43/16/579164316.db2.gz KDIDPWTZQFIUKQ-XJKSGUPXSA-N 1 1 345.399 0.472 20 30 ECEDMO C#C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCCO1 ZINC000773276078 579223690 /nfs/dbraw/zinc/22/36/90/579223690.db2.gz ITKFAXJHNQYBGE-QLFBSQMISA-N 1 1 336.436 0.054 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ccncc1 ZINC000774470750 579248643 /nfs/dbraw/zinc/24/86/43/579248643.db2.gz NJYFBVAEFUFQEA-INIZCTEOSA-N 1 1 346.431 0.654 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@H](C)[C@H]2CC)c1=O ZINC000774618030 579252356 /nfs/dbraw/zinc/25/23/56/579252356.db2.gz HYWLPROYJWKFDE-UONOGXRCSA-N 1 1 334.420 0.622 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)[C@@H]1CCCO1 ZINC000775784104 579271103 /nfs/dbraw/zinc/27/11/03/579271103.db2.gz GXPHMYANNYHOLB-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#C[C@H]([NH2+]Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)[C@H]1CCCO1 ZINC000775788570 579271206 /nfs/dbraw/zinc/27/12/06/579271206.db2.gz HGLFDWVDZCKBLM-UONOGXRCSA-N 1 1 344.371 0.882 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@@H]1CCCO1 ZINC000776228071 579278231 /nfs/dbraw/zinc/27/82/31/579278231.db2.gz OETGOVSFCJSODP-IKGGRYGDSA-N 1 1 334.464 0.589 20 30 ECEDMO C#CCCN1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000776596388 579285778 /nfs/dbraw/zinc/28/57/78/579285778.db2.gz ZXMZZHXHZBHFSV-OAHLLOKOSA-N 1 1 332.400 0.796 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000764471303 579576772 /nfs/dbraw/zinc/57/67/72/579576772.db2.gz LGIVHPQJZFCUGA-CQSZACIVSA-N 1 1 347.481 0.387 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000764471303 579576774 /nfs/dbraw/zinc/57/67/74/579576774.db2.gz LGIVHPQJZFCUGA-CQSZACIVSA-N 1 1 347.481 0.387 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2)CC1 ZINC000744366330 579808830 /nfs/dbraw/zinc/80/88/30/579808830.db2.gz MXOQJAYBCQESFC-MRXNPFEDSA-N 1 1 328.416 0.954 20 30 ECEDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC[C@@H]21 ZINC000746447453 579839460 /nfs/dbraw/zinc/83/94/60/579839460.db2.gz ZDECPTXHHXWTNR-JSGCOSHPSA-N 1 1 330.392 0.288 20 30 ECEDMO CNC(=O)C1([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCC1 ZINC000747962548 579855716 /nfs/dbraw/zinc/85/57/16/579855716.db2.gz QXUZAVXWKZAGPY-UHFFFAOYSA-N 1 1 335.429 0.980 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000835797360 588917715 /nfs/dbraw/zinc/91/77/15/588917715.db2.gz MDUKBXCSKFNNMU-HIFRSBDPSA-N 1 1 327.384 0.800 20 30 ECEDMO C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)C(=O)OC ZINC000837941369 588966137 /nfs/dbraw/zinc/96/61/37/588966137.db2.gz FQIMYBGWDPXHAX-ILXRZTDVSA-N 1 1 349.431 0.000 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000867282559 589006875 /nfs/dbraw/zinc/00/68/75/589006875.db2.gz SBZBPODRVCEHGC-UHFFFAOYSA-N 1 1 337.464 0.982 20 30 ECEDMO C=CCC1(O)CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000889433771 586060796 /nfs/dbraw/zinc/06/07/96/586060796.db2.gz JBEQDTAVFSRTLQ-AWEZNQCLSA-N 1 1 338.452 0.439 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](Nc2nc3ccccc3c(=O)n2CCO)C1 ZINC000895199927 586169071 /nfs/dbraw/zinc/16/90/71/586169071.db2.gz DXHQELGRTAYPJU-AWEZNQCLSA-N 1 1 326.400 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](Nc2nc3ccccc3c(=O)n2CCO)C1 ZINC000895199927 586169073 /nfs/dbraw/zinc/16/90/73/586169073.db2.gz DXHQELGRTAYPJU-AWEZNQCLSA-N 1 1 326.400 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@]2(c3cnn(C)c3)CCCO2)C1 ZINC000896487749 586243587 /nfs/dbraw/zinc/24/35/87/586243587.db2.gz CBXXGVYOWKGBJG-WMZOPIPTSA-N 1 1 345.447 0.823 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@]2(c3cnn(C)c3)CCCO2)C1 ZINC000896487749 586243589 /nfs/dbraw/zinc/24/35/89/586243589.db2.gz CBXXGVYOWKGBJG-WMZOPIPTSA-N 1 1 345.447 0.823 20 30 ECEDMO C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896550981 586253114 /nfs/dbraw/zinc/25/31/14/586253114.db2.gz BJAGDRBQPNHNEJ-PBHICJAKSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896550981 586253117 /nfs/dbraw/zinc/25/31/17/586253117.db2.gz BJAGDRBQPNHNEJ-PBHICJAKSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896550981 586253119 /nfs/dbraw/zinc/25/31/19/586253119.db2.gz BJAGDRBQPNHNEJ-PBHICJAKSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896562175 586255534 /nfs/dbraw/zinc/25/55/34/586255534.db2.gz FQZTWLBHHHYAQF-BBRMVZONSA-N 1 1 343.431 0.039 20 30 ECEDMO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896562175 586255538 /nfs/dbraw/zinc/25/55/38/586255538.db2.gz FQZTWLBHHHYAQF-BBRMVZONSA-N 1 1 343.431 0.039 20 30 ECEDMO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896562175 586255541 /nfs/dbraw/zinc/25/55/41/586255541.db2.gz FQZTWLBHHHYAQF-BBRMVZONSA-N 1 1 343.431 0.039 20 30 ECEDMO N#Cc1csc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)n1 ZINC000897262056 586290869 /nfs/dbraw/zinc/29/08/69/586290869.db2.gz TWTXNMFIKKUXTR-CHWSQXEVSA-N 1 1 335.433 0.755 20 30 ECEDMO C#C[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893054465 586308168 /nfs/dbraw/zinc/30/81/68/586308168.db2.gz XUHWWUYIUQZAES-IRXDYDNUSA-N 1 1 334.464 0.590 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000897490740 586333071 /nfs/dbraw/zinc/33/30/71/586333071.db2.gz MEVYIVIQNHHXHP-ZIAGYGMSSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000897490740 586333074 /nfs/dbraw/zinc/33/30/74/586333074.db2.gz MEVYIVIQNHHXHP-ZIAGYGMSSA-N 1 1 327.450 0.303 20 30 ECEDMO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(=O)n(C)c1=O ZINC000897591448 586348103 /nfs/dbraw/zinc/34/81/03/586348103.db2.gz LNAJJLHAGHTXIT-MRXNPFEDSA-N 1 1 340.383 0.529 20 30 ECEDMO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(=O)n(C)c1=O ZINC000897591448 586348105 /nfs/dbraw/zinc/34/81/05/586348105.db2.gz LNAJJLHAGHTXIT-MRXNPFEDSA-N 1 1 340.383 0.529 20 30 ECEDMO C#CC1(O)CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000894111046 586375493 /nfs/dbraw/zinc/37/54/93/586375493.db2.gz XPWOWOWEHSUTII-INIZCTEOSA-N 1 1 329.400 0.143 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)Cc2ccccc2CC#N)CC[N@@H+](C)C1 ZINC000840504620 586380787 /nfs/dbraw/zinc/38/07/87/586380787.db2.gz QZHOFVNFPYQKET-INIZCTEOSA-N 1 1 329.400 0.858 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)Cc2ccc(C#N)nc2)C1 ZINC000898250533 586409074 /nfs/dbraw/zinc/40/90/74/586409074.db2.gz SRLWABJHWAABOZ-UHFFFAOYSA-N 1 1 332.404 0.301 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2n[nH]cc2C(=O)OCC)C1 ZINC000898760944 586447339 /nfs/dbraw/zinc/44/73/39/586447339.db2.gz FCPYTDRJZLKYPW-ZFWWWQNUSA-N 1 1 344.415 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2n[nH]cc2C(=O)OCC)C1 ZINC000898760944 586447340 /nfs/dbraw/zinc/44/73/40/586447340.db2.gz FCPYTDRJZLKYPW-ZFWWWQNUSA-N 1 1 344.415 1.000 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1 ZINC000900045049 586520826 /nfs/dbraw/zinc/52/08/26/586520826.db2.gz IOVNJVGSNGYRII-CVEARBPZSA-N 1 1 326.400 0.714 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1 ZINC000900045049 586520828 /nfs/dbraw/zinc/52/08/28/586520828.db2.gz IOVNJVGSNGYRII-CVEARBPZSA-N 1 1 326.400 0.714 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cnccc3C#N)CC2)CC1 ZINC000900614515 586648387 /nfs/dbraw/zinc/64/83/87/586648387.db2.gz GTQJUHODRIOTNK-UHFFFAOYSA-N 1 1 342.403 0.078 20 30 ECEDMO COc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)o1 ZINC000901138618 586697268 /nfs/dbraw/zinc/69/72/68/586697268.db2.gz JKJUXILJOGKWGF-UHFFFAOYSA-N 1 1 326.422 0.809 20 30 ECEDMO C(=NNCCC[NH+]1CCOCC1)c1cn(Cc2ccccc2)nn1 ZINC000901235078 586702729 /nfs/dbraw/zinc/70/27/29/586702729.db2.gz UFCIMZBZEMGSOL-UHFFFAOYSA-N 1 1 328.420 0.972 20 30 ECEDMO C[C@@H]([NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)C(=O)N(C)CCC#N ZINC000901617107 586712628 /nfs/dbraw/zinc/71/26/28/586712628.db2.gz AADPFYKDZDROMM-NEPJUHHUSA-N 1 1 326.397 0.887 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1 ZINC000902730469 586755512 /nfs/dbraw/zinc/75/55/12/586755512.db2.gz RZCCUAUGTAAZFW-LBPRGKRZSA-N 1 1 326.356 0.789 20 30 ECEDMO C=CCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C(C)C ZINC000839248455 586843643 /nfs/dbraw/zinc/84/36/43/586843643.db2.gz ZKPMXAUZJQJCEV-AWEZNQCLSA-N 1 1 325.453 0.713 20 30 ECEDMO C=CCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C(C)C ZINC000839248455 586843647 /nfs/dbraw/zinc/84/36/47/586843647.db2.gz ZKPMXAUZJQJCEV-AWEZNQCLSA-N 1 1 325.453 0.713 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc(C#N)ccn1 ZINC000905422209 586891881 /nfs/dbraw/zinc/89/18/81/586891881.db2.gz ZORNYNLDXAFVAF-UHFFFAOYSA-N 1 1 346.460 0.864 20 30 ECEDMO CCN1CCC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1=O ZINC000905551418 586902239 /nfs/dbraw/zinc/90/22/39/586902239.db2.gz MJXFKIMIIQJZAG-OAHLLOKOSA-N 1 1 335.429 0.932 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C#N)cn3)CC2)C1 ZINC000906948909 587002269 /nfs/dbraw/zinc/00/22/69/587002269.db2.gz YYXOLDIFPJTAKH-OAHLLOKOSA-N 1 1 349.460 0.354 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000907019356 587007068 /nfs/dbraw/zinc/00/70/68/587007068.db2.gz FZCOAPWUSSNANX-UHFFFAOYSA-N 1 1 325.376 0.447 20 30 ECEDMO C=CCN1CCN(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O ZINC000839956229 587013910 /nfs/dbraw/zinc/01/39/10/587013910.db2.gz RIGWRDXTMDJACT-HNNXBMFYSA-N 1 1 336.436 0.438 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000907174505 587019781 /nfs/dbraw/zinc/01/97/81/587019781.db2.gz IJODSRGNILZMAQ-UHFFFAOYSA-N 1 1 335.473 0.972 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCNc2ncccc2C#N)[C@@H](C)C1 ZINC000806535040 587100301 /nfs/dbraw/zinc/10/03/01/587100301.db2.gz KWLCAPJYNZRVMJ-UONOGXRCSA-N 1 1 346.435 0.462 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000806716534 587106216 /nfs/dbraw/zinc/10/62/16/587106216.db2.gz UYQXPSXBOULSSO-INIZCTEOSA-N 1 1 326.400 0.617 20 30 ECEDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000807986987 587140933 /nfs/dbraw/zinc/14/09/33/587140933.db2.gz BYEWKAAOABPFHW-VLUKHXRESA-N 1 1 334.420 0.846 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000809504669 587178835 /nfs/dbraw/zinc/17/88/35/587178835.db2.gz PROSFFRLJVSHCC-HNNXBMFYSA-N 1 1 344.415 0.784 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC000810366783 587193728 /nfs/dbraw/zinc/19/37/28/587193728.db2.gz QCAXSRBLAANDOW-KBPBESRZSA-N 1 1 346.362 0.615 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000817846672 587389170 /nfs/dbraw/zinc/38/91/70/587389170.db2.gz WEADOPKWSJQAKH-SJORKVTESA-N 1 1 325.412 0.979 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000817853840 587389432 /nfs/dbraw/zinc/38/94/32/587389432.db2.gz RWCQIBIZVHMAMN-NSHDSACASA-N 1 1 332.242 0.859 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)[C@H]2C1 ZINC000818033624 587397962 /nfs/dbraw/zinc/39/79/62/587397962.db2.gz KKVOXXKKZZFDLO-BBWFWOEESA-N 1 1 329.400 0.913 20 30 ECEDMO C#C[C@H](C)NC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000820436713 587533928 /nfs/dbraw/zinc/53/39/28/587533928.db2.gz YVSPSTKNXGTSCR-HNNXBMFYSA-N 1 1 334.464 0.984 20 30 ECEDMO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCCCC#N ZINC000820788311 587556370 /nfs/dbraw/zinc/55/63/70/587556370.db2.gz CVWZPLFAVFUNJA-GFCCVEGCSA-N 1 1 327.396 0.861 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@]1(O)C(=O)Nc2ccccc21 ZINC000829021069 588312359 /nfs/dbraw/zinc/31/23/59/588312359.db2.gz XSIROEIHJCVCOD-YJBOKZPZSA-N 1 1 327.384 0.430 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@]1(O)C(=O)Nc2ccccc21 ZINC000829021069 588312361 /nfs/dbraw/zinc/31/23/61/588312361.db2.gz XSIROEIHJCVCOD-YJBOKZPZSA-N 1 1 327.384 0.430 20 30 ECEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000829799101 588342258 /nfs/dbraw/zinc/34/22/58/588342258.db2.gz KDBKMEXQXXJVTR-MRXNPFEDSA-N 1 1 343.427 0.902 20 30 ECEDMO NS(=O)(=O)c1ccc(C=NNCCC[NH+]2CCOCC2)s1 ZINC000844594816 589113712 /nfs/dbraw/zinc/11/37/12/589113712.db2.gz SPGIFFFUOGPDRI-UHFFFAOYSA-N 1 1 332.451 0.041 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCn1ccnc1)Cc1cnn(C)c1 ZINC000846094183 589184499 /nfs/dbraw/zinc/18/44/99/589184499.db2.gz BEQMOZNNMAEONR-KRWDZBQOSA-N 1 1 340.431 0.743 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCn1ccnc1)Cc1cnn(C)c1 ZINC000846094183 589184500 /nfs/dbraw/zinc/18/45/00/589184500.db2.gz BEQMOZNNMAEONR-KRWDZBQOSA-N 1 1 340.431 0.743 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ncc1C#N ZINC000847489498 589251264 /nfs/dbraw/zinc/25/12/64/589251264.db2.gz OQDRJEASBBIKJQ-ZIAGYGMSSA-N 1 1 343.387 0.180 20 30 ECEDMO CN1CCN(c2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cn2)CC1 ZINC000852872116 589520817 /nfs/dbraw/zinc/52/08/17/589520817.db2.gz BMWJBMNZRXJLBV-UHFFFAOYSA-N 1 1 341.459 0.453 20 30 ECEDMO Cc1cc(NCCn2cncn2)c(C#N)c(NCCn2cncn2)[nH+]1 ZINC000853270835 589539765 /nfs/dbraw/zinc/53/97/65/589539765.db2.gz OHVWUKUMBKCNMW-UHFFFAOYSA-N 1 1 338.379 0.669 20 30 ECEDMO C[N@@H+]1CCN(c2cc(C#N)cnn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000853447012 589542491 /nfs/dbraw/zinc/54/24/91/589542491.db2.gz BGTIGWGVXUUIBL-CYBMUJFWSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2cc(C#N)cnn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000853447012 589542492 /nfs/dbraw/zinc/54/24/92/589542492.db2.gz BGTIGWGVXUUIBL-CYBMUJFWSA-N 1 1 332.408 0.993 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000855288716 589625909 /nfs/dbraw/zinc/62/59/09/589625909.db2.gz LEWQHQYECVPNJH-KXEGMRRWSA-N 1 1 334.420 0.892 20 30 ECEDMO C#CCCN(CCOC)C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000856388164 589662555 /nfs/dbraw/zinc/66/25/55/589662555.db2.gz MKCWYKRPDZZNQX-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCCN(CCOC)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000856391085 589662653 /nfs/dbraw/zinc/66/26/53/589662653.db2.gz NAHWWLUYKYXLFM-SJORKVTESA-N 1 1 332.448 0.954 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC([C@H](O)c2ccnn2C)CC1 ZINC000856907658 589679305 /nfs/dbraw/zinc/67/93/05/589679305.db2.gz CSQBDLNEFMJQKO-KRWDZBQOSA-N 1 1 347.463 0.830 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000860093154 589744245 /nfs/dbraw/zinc/74/42/45/589744245.db2.gz SRRLXZSDKYSELD-LLVKDONJSA-N 1 1 328.413 0.843 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000860093154 589744247 /nfs/dbraw/zinc/74/42/47/589744247.db2.gz SRRLXZSDKYSELD-LLVKDONJSA-N 1 1 328.413 0.843 20 30 ECEDMO C#Cc1cccc(NC(=O)CNS(=O)(=O)CC2([NH+](C)C)CC2)c1 ZINC000866549142 589749618 /nfs/dbraw/zinc/74/96/18/589749618.db2.gz FFCWZHAXPHYNJK-UHFFFAOYSA-N 1 1 335.429 0.620 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000858494970 589752576 /nfs/dbraw/zinc/75/25/76/589752576.db2.gz ZMHWEOQSNHMVEO-ZBFHGGJFSA-N 1 1 332.404 0.872 20 30 ECEDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000866765466 589771622 /nfs/dbraw/zinc/77/16/22/589771622.db2.gz VTNGHEBCFGJUFU-CYBMUJFWSA-N 1 1 341.364 0.223 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)Cc1cc(C(=O)OCC)no1 ZINC000859172248 589804883 /nfs/dbraw/zinc/80/48/83/589804883.db2.gz MTERQAURLDAJRF-UHFFFAOYSA-N 1 1 343.405 0.226 20 30 ECEDMO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000867843183 589852542 /nfs/dbraw/zinc/85/25/42/589852542.db2.gz HVKIJPNUHYQJAJ-KRWDZBQOSA-N 1 1 348.447 0.319 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000867843717 589852587 /nfs/dbraw/zinc/85/25/87/589852587.db2.gz DCHCEYHFOHMTGK-CQSZACIVSA-N 1 1 336.436 0.175 20 30 ECEDMO C[C@H](CCS(C)(=O)=O)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867944730 589864386 /nfs/dbraw/zinc/86/43/86/589864386.db2.gz HQVTVWWRPDQTMV-ABAIWWIYSA-N 1 1 335.429 0.684 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCS(=O)(=O)C1 ZINC000867948684 589864614 /nfs/dbraw/zinc/86/46/14/589864614.db2.gz BQPALMCGWSIVPS-GOEBONIOSA-N 1 1 333.413 0.438 20 30 ECEDMO COc1ccc([C@@H]2CN(C(=O)Cn3cnc(C#N)n3)CC[NH2+]2)cc1 ZINC000870142932 590002456 /nfs/dbraw/zinc/00/24/56/590002456.db2.gz PCMMUHFSWNQZIU-AWEZNQCLSA-N 1 1 326.360 0.331 20 30 ECEDMO C[NH+]1CCN(N=Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000872325454 590114898 /nfs/dbraw/zinc/11/48/98/590114898.db2.gz RVPKLNKDJLOSCM-UHFFFAOYSA-N 1 1 332.448 0.979 20 30 ECEDMO C#C[C@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000872931262 590175463 /nfs/dbraw/zinc/17/54/63/590175463.db2.gz ZJAWPCXVJHYKKZ-BZSNNMDCSA-N 1 1 348.491 0.884 20 30 ECEDMO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)cc1C#N ZINC000873710336 590197417 /nfs/dbraw/zinc/19/74/17/590197417.db2.gz SVKRPNNHXQMVQI-UHFFFAOYSA-N 1 1 348.428 0.670 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3cccc(C#N)c3)CC[C@H]21 ZINC000875051320 590265427 /nfs/dbraw/zinc/26/54/27/590265427.db2.gz BLOWKYPFNIZKLP-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000875207354 590282074 /nfs/dbraw/zinc/28/20/74/590282074.db2.gz XKGBWGWOTHJFMS-RDJZCZTQSA-N 1 1 345.443 0.778 20 30 ECEDMO C=CC(C)(C)CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000875333336 590294001 /nfs/dbraw/zinc/29/40/01/590294001.db2.gz FKYGOBKECRLPMR-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC(C)(C)CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000875333336 590294003 /nfs/dbraw/zinc/29/40/03/590294003.db2.gz FKYGOBKECRLPMR-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000875599430 590312811 /nfs/dbraw/zinc/31/28/11/590312811.db2.gz QLILGYSQYGDCRV-ARFHVFGLSA-N 1 1 335.448 0.474 20 30 ECEDMO CN1C(=O)[C@H]2C[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@H]2C1=O ZINC000879534449 590321348 /nfs/dbraw/zinc/32/13/48/590321348.db2.gz QICHKKHMHILNCN-TUAOUCFPSA-N 1 1 344.396 0.272 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879694230 590335165 /nfs/dbraw/zinc/33/51/65/590335165.db2.gz XUTMYHLTTUPVNV-SOUVJXGZSA-N 1 1 349.406 0.993 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000880478357 590395179 /nfs/dbraw/zinc/39/51/79/590395179.db2.gz BSKQYZPBAMGQMF-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876673548 590396821 /nfs/dbraw/zinc/39/68/21/590396821.db2.gz OERZWMNVPWGQEN-WQGACYEGSA-N 1 1 347.440 0.779 20 30 ECEDMO COCC[NH2+]C1CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876944673 590428697 /nfs/dbraw/zinc/42/86/97/590428697.db2.gz OSMJCHHJKYNPDH-GOSISDBHSA-N 1 1 342.443 0.972 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC000877593945 590473407 /nfs/dbraw/zinc/47/34/07/590473407.db2.gz KCFUZTRHBGOPJN-MRXNPFEDSA-N 1 1 344.415 0.878 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC000877593945 590473408 /nfs/dbraw/zinc/47/34/08/590473408.db2.gz KCFUZTRHBGOPJN-MRXNPFEDSA-N 1 1 344.415 0.878 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000877893740 590485183 /nfs/dbraw/zinc/48/51/83/590485183.db2.gz UQMYEIDGADSEFK-INIZCTEOSA-N 1 1 337.464 0.492 20 30 ECEDMO C=CC[C@H](C(=O)OC)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000877955867 590488917 /nfs/dbraw/zinc/48/89/17/590488917.db2.gz FQPSSTQMAWIWPU-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CC[C@H](C(=O)OC)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000877955867 590488919 /nfs/dbraw/zinc/48/89/19/590488919.db2.gz FQPSSTQMAWIWPU-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879268608 590575029 /nfs/dbraw/zinc/57/50/29/590575029.db2.gz FNVFEMMXLNKKRU-IMJJTQAJSA-N 1 1 328.416 0.629 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879268608 590575031 /nfs/dbraw/zinc/57/50/31/590575031.db2.gz FNVFEMMXLNKKRU-IMJJTQAJSA-N 1 1 328.416 0.629 20 30 ECEDMO C#CCC1(O)CCN(C(=O)NCC(C)(C)N2CCN(C)CC2)CC1 ZINC000883097421 590604917 /nfs/dbraw/zinc/60/49/17/590604917.db2.gz JYULDQKDDDGATE-UHFFFAOYSA-N 1 1 336.480 0.572 20 30 ECEDMO C#CCC1(O)CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000883097421 590604919 /nfs/dbraw/zinc/60/49/19/590604919.db2.gz JYULDQKDDDGATE-UHFFFAOYSA-N 1 1 336.480 0.572 20 30 ECEDMO N#CCCc1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC000885222349 590697009 /nfs/dbraw/zinc/69/70/09/590697009.db2.gz YYSNRLFVTJYLIJ-UHFFFAOYSA-N 1 1 337.445 0.878 20 30 ECEDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885318477 590716110 /nfs/dbraw/zinc/71/61/10/590716110.db2.gz OYDUYNAKKLEGAH-XPCVCDNBSA-N 1 1 325.434 0.256 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCCN(CC)S(C)(=O)=O)C1 ZINC000884087418 590736420 /nfs/dbraw/zinc/73/64/20/590736420.db2.gz BVKUPWSBDQGNOW-AWEZNQCLSA-N 1 1 344.481 0.055 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCN(CC)S(C)(=O)=O)C1 ZINC000884087418 590736423 /nfs/dbraw/zinc/73/64/23/590736423.db2.gz BVKUPWSBDQGNOW-AWEZNQCLSA-N 1 1 344.481 0.055 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000884085347 590736612 /nfs/dbraw/zinc/73/66/12/590736612.db2.gz RUEPSOBGBUWGRS-CVEARBPZSA-N 1 1 342.447 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000884085347 590736613 /nfs/dbraw/zinc/73/66/13/590736613.db2.gz RUEPSOBGBUWGRS-CVEARBPZSA-N 1 1 342.447 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](CC)C(=O)N2CCOCC2)C1 ZINC000884208874 590775586 /nfs/dbraw/zinc/77/55/86/590775586.db2.gz MGLOZDKRKWULHD-HUUCEWRRSA-N 1 1 336.436 0.021 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](CC)C(=O)N2CCOCC2)C1 ZINC000884208874 590775590 /nfs/dbraw/zinc/77/55/90/590775590.db2.gz MGLOZDKRKWULHD-HUUCEWRRSA-N 1 1 336.436 0.021 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000886359566 590834647 /nfs/dbraw/zinc/83/46/47/590834647.db2.gz FOJQFTZTVKRUCW-OAHLLOKOSA-N 1 1 349.456 0.338 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCn2nc(C(=O)OC)cc21 ZINC000886588591 590862037 /nfs/dbraw/zinc/86/20/37/590862037.db2.gz VPMVSMQAOHHFTQ-LLVKDONJSA-N 1 1 327.406 0.695 20 30 ECEDMO C#CC[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000890129371 591134188 /nfs/dbraw/zinc/13/41/88/591134188.db2.gz NJLFTDIJGACHJL-MSOLQXFVSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000890360833 591150912 /nfs/dbraw/zinc/15/09/12/591150912.db2.gz CXKBYYDTSCFYHL-CVEARBPZSA-N 1 1 332.448 0.738 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000890360833 591150914 /nfs/dbraw/zinc/15/09/14/591150914.db2.gz CXKBYYDTSCFYHL-CVEARBPZSA-N 1 1 332.448 0.738 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000890365284 591151931 /nfs/dbraw/zinc/15/19/31/591151931.db2.gz RVFKOTVSTINJPV-MRXNPFEDSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCN2CCOC(C)(C)C2)C1 ZINC000890365284 591151932 /nfs/dbraw/zinc/15/19/32/591151932.db2.gz RVFKOTVSTINJPV-MRXNPFEDSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@]2(CO)C[C@H](OCC)C2(C)C)C1 ZINC000890367528 591152631 /nfs/dbraw/zinc/15/26/31/591152631.db2.gz NUOOAEALPCNQQC-RLFYNMQTSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@]2(CO)C[C@H](OCC)C2(C)C)C1 ZINC000890367528 591152634 /nfs/dbraw/zinc/15/26/34/591152634.db2.gz NUOOAEALPCNQQC-RLFYNMQTSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCOC[C@@H]2c2noc(C)n2)C1 ZINC000890367294 591153532 /nfs/dbraw/zinc/15/35/32/591153532.db2.gz LJLDVJWKNRDDKS-UONOGXRCSA-N 1 1 333.392 0.559 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@@H]2c2noc(C)n2)C1 ZINC000890367294 591153534 /nfs/dbraw/zinc/15/35/34/591153534.db2.gz LJLDVJWKNRDDKS-UONOGXRCSA-N 1 1 333.392 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](O)COc2ccccc2)C1 ZINC000890377028 591155786 /nfs/dbraw/zinc/15/57/86/591155786.db2.gz FVPZAUBURKPRDV-HOTGVXAUSA-N 1 1 331.416 0.823 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](O)COc2ccccc2)C1 ZINC000890377028 591155788 /nfs/dbraw/zinc/15/57/88/591155788.db2.gz FVPZAUBURKPRDV-HOTGVXAUSA-N 1 1 331.416 0.823 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946586659 611355329 /nfs/dbraw/zinc/35/53/29/611355329.db2.gz RJTMVGLAZHFCJA-BBWFWOEESA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC1(O)CN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000929941924 611370324 /nfs/dbraw/zinc/37/03/24/611370324.db2.gz JJWSNIQUEVKFHX-OAHLLOKOSA-N 1 1 342.399 0.348 20 30 ECEDMO C#CC1(O)CN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000929941924 611370327 /nfs/dbraw/zinc/37/03/27/611370327.db2.gz JJWSNIQUEVKFHX-OAHLLOKOSA-N 1 1 342.399 0.348 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)cc1 ZINC000930069961 611386451 /nfs/dbraw/zinc/38/64/51/611386451.db2.gz OSWQZKXUQCAODF-HNNXBMFYSA-N 1 1 335.429 0.620 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CC(=O)NC)[C@@H](C)C2)CC1 ZINC000948071573 611408635 /nfs/dbraw/zinc/40/86/35/611408635.db2.gz ZANAMXTUCOPMAH-HOCLYGCPSA-N 1 1 334.464 0.047 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000946699655 611423209 /nfs/dbraw/zinc/42/32/09/611423209.db2.gz YOXIULBEGKQCQI-INIZCTEOSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000946699655 611423213 /nfs/dbraw/zinc/42/32/13/611423213.db2.gz YOXIULBEGKQCQI-INIZCTEOSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000948099828 611426433 /nfs/dbraw/zinc/42/64/33/611426433.db2.gz ZTYNNMSVQZXIFJ-ZADUAIBHSA-N 1 1 346.431 0.116 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CCN1CCNC1=O ZINC000947175876 611451032 /nfs/dbraw/zinc/45/10/32/611451032.db2.gz UWGJBNHJGCJCQT-JSGCOSHPSA-N 1 1 344.419 0.494 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1=O ZINC000159968911 611467736 /nfs/dbraw/zinc/46/77/36/611467736.db2.gz DWEAKNQMGJBNGT-KBPBESRZSA-N 1 1 334.420 0.479 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1=O ZINC000159968911 611467738 /nfs/dbraw/zinc/46/77/38/611467738.db2.gz DWEAKNQMGJBNGT-KBPBESRZSA-N 1 1 334.420 0.479 20 30 ECEDMO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000946775093 611468901 /nfs/dbraw/zinc/46/89/01/611468901.db2.gz AYLJMCRVVUOCKV-NUEKZKHPSA-N 1 1 333.432 0.084 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cnn(C)n3)CC[C@@H]2C1 ZINC000946781838 611474911 /nfs/dbraw/zinc/47/49/11/611474911.db2.gz CRPKOQYTOUZFOX-IYBDPMFKSA-N 1 1 329.448 0.941 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(CC#N)cc3)C[C@]2(C)C1 ZINC000930903791 611482220 /nfs/dbraw/zinc/48/22/20/611482220.db2.gz JUUFHGIQSSWJFR-APWZRJJASA-N 1 1 340.427 0.779 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)NCc2ccc(OCCOC)cc2)CC1 ZINC000931145735 611511505 /nfs/dbraw/zinc/51/15/05/611511505.db2.gz PNTXAWHUEPWZMZ-UHFFFAOYSA-N 1 1 346.427 0.788 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000931291017 611529390 /nfs/dbraw/zinc/52/93/90/611529390.db2.gz LJXMAQAXKMMQIC-AWEZNQCLSA-N 1 1 338.452 0.573 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1C ZINC000947477799 611552665 /nfs/dbraw/zinc/55/26/65/611552665.db2.gz YLHILLUBEQLQPC-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1C ZINC000947477799 611552668 /nfs/dbraw/zinc/55/26/68/611552668.db2.gz YLHILLUBEQLQPC-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO COC1(OC)CCOC[C@@H]1[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000931667558 611564151 /nfs/dbraw/zinc/56/41/51/611564151.db2.gz LTDZGKDVTWKKRX-IPYPFGDCSA-N 1 1 327.425 0.797 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000947499490 611567641 /nfs/dbraw/zinc/56/76/41/611567641.db2.gz BNJIDOCMNVSROQ-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C[C@@H]1C ZINC000947502308 611569255 /nfs/dbraw/zinc/56/92/55/611569255.db2.gz MOPUDTQXIOJTAA-WCQYABFASA-N 1 1 328.372 0.628 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C[C@H]1C ZINC000947547893 611590881 /nfs/dbraw/zinc/59/08/81/611590881.db2.gz VFXLIEDIWHKXKQ-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000932044167 611595540 /nfs/dbraw/zinc/59/55/40/611595540.db2.gz DMBBDXRLUVUUJV-AWEZNQCLSA-N 1 1 341.411 0.781 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC000948458343 611605416 /nfs/dbraw/zinc/60/54/16/611605416.db2.gz KZFZJKFIGNLVDI-IAQYHMDHSA-N 1 1 340.387 0.668 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948458391 611605659 /nfs/dbraw/zinc/60/56/59/611605659.db2.gz ORCLZXUOHHLHBM-TYNCELHUSA-N 1 1 329.404 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1Cc2ccccc2OCC1=O ZINC000927591935 611616822 /nfs/dbraw/zinc/61/68/22/611616822.db2.gz MJCFPILCJSYTIB-INIZCTEOSA-N 1 1 341.411 0.621 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1Cc2ccccc2OCC1=O ZINC000927591935 611616823 /nfs/dbraw/zinc/61/68/23/611616823.db2.gz MJCFPILCJSYTIB-INIZCTEOSA-N 1 1 341.411 0.621 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C[C@@H]1C ZINC000947365356 608593267 /nfs/dbraw/zinc/59/32/67/608593267.db2.gz MHELYKCJBAZPQK-DZGCQCFKSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccnc3c2nnn3C)C[C@H]1C ZINC000947663725 611641142 /nfs/dbraw/zinc/64/11/42/611641142.db2.gz YKMRIVMAAZGOPY-OLZOCXBDSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C[C@@H]1C ZINC000947383008 608632882 /nfs/dbraw/zinc/63/28/82/608632882.db2.gz JYLDREIQUSAGRV-RYUDHWBXSA-N 1 1 327.388 0.890 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 ZINC000949340520 608644999 /nfs/dbraw/zinc/64/49/99/608644999.db2.gz RLFQIZALWDPSKM-HNNXBMFYSA-N 1 1 334.416 0.656 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 ZINC000949340520 608645002 /nfs/dbraw/zinc/64/50/02/608645002.db2.gz RLFQIZALWDPSKM-HNNXBMFYSA-N 1 1 334.416 0.656 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 ZINC000949343843 608646454 /nfs/dbraw/zinc/64/64/54/608646454.db2.gz UOHCRIWMISIKRK-INIZCTEOSA-N 1 1 335.448 0.034 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 ZINC000949343843 608646457 /nfs/dbraw/zinc/64/64/57/608646457.db2.gz UOHCRIWMISIKRK-INIZCTEOSA-N 1 1 335.448 0.034 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(=O)n(C)cn3)CC2)C1 ZINC000949389118 608665666 /nfs/dbraw/zinc/66/56/66/608665666.db2.gz SZBKGLHXMPGNNC-UHFFFAOYSA-N 1 1 344.415 0.111 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(=O)n(C)cn3)CC2)C1 ZINC000949389118 608665669 /nfs/dbraw/zinc/66/56/69/608665669.db2.gz SZBKGLHXMPGNNC-UHFFFAOYSA-N 1 1 344.415 0.111 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)C(C)(C)S(C)(=O)=O)CCO2 ZINC000949202669 608672271 /nfs/dbraw/zinc/67/22/71/608672271.db2.gz RJPNNBLBMZHKLU-UHFFFAOYSA-N 1 1 344.477 0.689 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 ZINC000949433552 608677670 /nfs/dbraw/zinc/67/76/70/608677670.db2.gz YZPBQUVMYIJYPO-AWEZNQCLSA-N 1 1 336.436 0.280 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000948554681 611652075 /nfs/dbraw/zinc/65/20/75/611652075.db2.gz ZILMAXQNVYKLQB-CYBMUJFWSA-N 1 1 339.417 0.487 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H](C)C2)nn1 ZINC000947796122 608778150 /nfs/dbraw/zinc/77/81/50/608778150.db2.gz JVWHXJDIELXSJL-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CC1 ZINC000937035525 608917647 /nfs/dbraw/zinc/91/76/47/608917647.db2.gz JHCBBKFJZBBBDM-LUKYLMHMSA-N 1 1 345.443 0.321 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CC1 ZINC000937035525 608917649 /nfs/dbraw/zinc/91/76/49/608917649.db2.gz JHCBBKFJZBBBDM-LUKYLMHMSA-N 1 1 345.443 0.321 20 30 ECEDMO N#C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CCN1C1CC1 ZINC000925148620 608928869 /nfs/dbraw/zinc/92/88/69/608928869.db2.gz KDMZTBKWPHVKKN-OWCLPIDISA-N 1 1 349.504 0.948 20 30 ECEDMO C[C@@H](NC(=O)NCC#CCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000923778915 608930698 /nfs/dbraw/zinc/93/06/98/608930698.db2.gz HXPFFUAVYIWLRP-NVXWUHKLSA-N 1 1 331.416 0.571 20 30 ECEDMO C[C@@H](NC(=O)NCC#CCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000923778915 608930699 /nfs/dbraw/zinc/93/06/99/608930699.db2.gz HXPFFUAVYIWLRP-NVXWUHKLSA-N 1 1 331.416 0.571 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937064520 608945871 /nfs/dbraw/zinc/94/58/71/608945871.db2.gz DMIZKJNUXREKRY-CQSZACIVSA-N 1 1 340.387 0.764 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000937777866 609070360 /nfs/dbraw/zinc/07/03/60/609070360.db2.gz HUUDKJNGQPUPDW-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000937777866 609070362 /nfs/dbraw/zinc/07/03/62/609070362.db2.gz HUUDKJNGQPUPDW-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2c(C)c(C)nn(C)c2=O)CC1 ZINC000948664842 611681062 /nfs/dbraw/zinc/68/10/62/611681062.db2.gz BAUCHVRLWLQSIJ-HNNXBMFYSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC000937788015 609087111 /nfs/dbraw/zinc/08/71/11/609087111.db2.gz HPARRHIEVGQDQW-ZFWWWQNUSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC000937788015 609087112 /nfs/dbraw/zinc/08/71/12/609087112.db2.gz HPARRHIEVGQDQW-ZFWWWQNUSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCOC1 ZINC000937277376 609102438 /nfs/dbraw/zinc/10/24/38/609102438.db2.gz BEVBNOGGXKIEQS-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCOC1 ZINC000937277376 609102440 /nfs/dbraw/zinc/10/24/40/609102440.db2.gz BEVBNOGGXKIEQS-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000937977447 609430170 /nfs/dbraw/zinc/43/01/70/609430170.db2.gz BCAQMIRMIZFXDW-IRXDYDNUSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000937977447 609430172 /nfs/dbraw/zinc/43/01/72/609430172.db2.gz BCAQMIRMIZFXDW-IRXDYDNUSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000938170565 609481680 /nfs/dbraw/zinc/48/16/80/609481680.db2.gz KDDSZFYNIZCUSL-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000938170565 609481683 /nfs/dbraw/zinc/48/16/83/609481683.db2.gz KDDSZFYNIZCUSL-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2scnc2C)C1 ZINC000938171573 609483959 /nfs/dbraw/zinc/48/39/59/609483959.db2.gz FKRDIOUKZVIUCT-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2scnc2C)C1 ZINC000938171573 609483960 /nfs/dbraw/zinc/48/39/60/609483960.db2.gz FKRDIOUKZVIUCT-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO CC(C)N1CC[NH+](CCC(=O)NCc2ccc(C(=O)NO)cc2)CC1 ZINC000907813199 609623598 /nfs/dbraw/zinc/62/35/98/609623598.db2.gz VJIJINNLQHLXRL-UHFFFAOYSA-N 1 1 348.447 0.838 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000908013359 609636645 /nfs/dbraw/zinc/63/66/45/609636645.db2.gz BGKCEMDHPKNHMG-CABCVRRESA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000908013359 609636647 /nfs/dbraw/zinc/63/66/47/609636647.db2.gz BGKCEMDHPKNHMG-CABCVRRESA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000908016557 609637895 /nfs/dbraw/zinc/63/78/95/609637895.db2.gz WYIPHSCVTZMTBL-ZIAGYGMSSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000908016557 609637897 /nfs/dbraw/zinc/63/78/97/609637897.db2.gz WYIPHSCVTZMTBL-ZIAGYGMSSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000907999599 609639542 /nfs/dbraw/zinc/63/95/42/609639542.db2.gz AQSCELFMBVRDDZ-CVEARBPZSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000907999599 609639544 /nfs/dbraw/zinc/63/95/44/609639544.db2.gz AQSCELFMBVRDDZ-CVEARBPZSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000907999605 609640030 /nfs/dbraw/zinc/64/00/30/609640030.db2.gz AQSCELFMBVRDDZ-JKSUJKDBSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000907999605 609640031 /nfs/dbraw/zinc/64/00/31/609640031.db2.gz AQSCELFMBVRDDZ-JKSUJKDBSA-N 1 1 335.429 0.778 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000908254287 609649163 /nfs/dbraw/zinc/64/91/63/609649163.db2.gz GHRUKCWDORGVPU-UHFFFAOYSA-N 1 1 339.403 0.571 20 30 ECEDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000908345426 609651237 /nfs/dbraw/zinc/65/12/37/609651237.db2.gz FLVARNGRBRCHRE-MAUKXSAKSA-N 1 1 344.415 0.780 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1=O ZINC000151209615 609658358 /nfs/dbraw/zinc/65/83/58/609658358.db2.gz ADZDWXZCQHQOEU-OKILXGFUSA-N 1 1 332.404 0.233 20 30 ECEDMO C[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)[C@H]1C[N@H+](C)CCN1C ZINC000920001571 609670537 /nfs/dbraw/zinc/67/05/37/609670537.db2.gz UZIXEWWNZXQAMY-ZIAGYGMSSA-N 1 1 328.482 0.624 20 30 ECEDMO C[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000920001571 609670539 /nfs/dbraw/zinc/67/05/39/609670539.db2.gz UZIXEWWNZXQAMY-ZIAGYGMSSA-N 1 1 328.482 0.624 20 30 ECEDMO CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC#CC[NH+](C)C ZINC000913522312 609685749 /nfs/dbraw/zinc/68/57/49/609685749.db2.gz DGMKWPZXTMZETP-HNNXBMFYSA-N 1 1 333.436 0.164 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C ZINC000947853981 609697872 /nfs/dbraw/zinc/69/78/72/609697872.db2.gz YNEZNGPIMFHJRY-YPMHNXCESA-N 1 1 332.404 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC)CC1 ZINC000948739150 611708473 /nfs/dbraw/zinc/70/84/73/611708473.db2.gz APXDAJTZDUJARM-HNNXBMFYSA-N 1 1 337.489 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC)CC1 ZINC000948739150 611708474 /nfs/dbraw/zinc/70/84/74/611708474.db2.gz APXDAJTZDUJARM-HNNXBMFYSA-N 1 1 337.489 0.802 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1C ZINC000947830170 611711449 /nfs/dbraw/zinc/71/14/49/611711449.db2.gz GSCAVXDCSQNBBI-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1C ZINC000947830170 611711452 /nfs/dbraw/zinc/71/14/52/611711452.db2.gz GSCAVXDCSQNBBI-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nocc2C)C1 ZINC000938786866 610000889 /nfs/dbraw/zinc/00/08/89/610000889.db2.gz QXSIUBXWDYSYES-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nocc2C)C1 ZINC000938786866 610000893 /nfs/dbraw/zinc/00/08/93/610000893.db2.gz QXSIUBXWDYSYES-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938878560 610008384 /nfs/dbraw/zinc/00/83/84/610008384.db2.gz NHXGXVKZYVAJBA-OAHLLOKOSA-N 1 1 340.387 0.764 20 30 ECEDMO C=CCOc1ccc(CC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000913039739 610031456 /nfs/dbraw/zinc/03/14/56/610031456.db2.gz KRIIHRFRKSIRAM-UHFFFAOYSA-N 1 1 331.416 0.860 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000938968781 610058706 /nfs/dbraw/zinc/05/87/06/610058706.db2.gz NWEUIBDPEXGXPT-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C2)CC1 ZINC000939812415 610137489 /nfs/dbraw/zinc/13/74/89/610137489.db2.gz WLIOVZHGIVJVDZ-NVXWUHKLSA-N 1 1 344.463 0.060 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)ncn2)C1 ZINC000940057760 610200680 /nfs/dbraw/zinc/20/06/80/610200680.db2.gz DKCDZOBUGYFXEX-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(C)ncn2)C1 ZINC000940057760 610200682 /nfs/dbraw/zinc/20/06/82/610200682.db2.gz DKCDZOBUGYFXEX-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000940383191 610277423 /nfs/dbraw/zinc/27/74/23/610277423.db2.gz JIXUSIKRBKUGLY-MIGQKNRLSA-N 1 1 346.431 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2nccc2C)C1 ZINC000940461304 610288769 /nfs/dbraw/zinc/28/87/69/610288769.db2.gz VAKDDQNZQHYSSK-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2nccc2C)C1 ZINC000940461304 610288770 /nfs/dbraw/zinc/28/87/70/610288770.db2.gz VAKDDQNZQHYSSK-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnc4n3CCOC4)CC2)C1 ZINC000941445004 610309577 /nfs/dbraw/zinc/30/95/77/610309577.db2.gz ZQDIELMZFBJWQJ-UHFFFAOYSA-N 1 1 345.447 0.431 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3cnn4c3CCCC4)CC2)C1 ZINC000941444709 610309695 /nfs/dbraw/zinc/30/96/95/610309695.db2.gz VMKBAOBAYCQAJB-UHFFFAOYSA-N 1 1 343.475 0.776 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941433014 610313140 /nfs/dbraw/zinc/31/31/40/610313140.db2.gz LJWBXTXNZDTPLJ-QGZVFWFLSA-N 1 1 332.492 0.426 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2CC)C1 ZINC000941437471 610315155 /nfs/dbraw/zinc/31/51/55/610315155.db2.gz HJIGQQXHBNLNPS-CJNGLKHVSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2CC)C1 ZINC000941437471 610315156 /nfs/dbraw/zinc/31/51/56/610315156.db2.gz HJIGQQXHBNLNPS-CJNGLKHVSA-N 1 1 343.431 0.400 20 30 ECEDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCN(C2CN(CC#N)C2)CC1 ZINC000941467466 610328228 /nfs/dbraw/zinc/32/82/28/610328228.db2.gz ANPQYPHJKZOUGD-UHFFFAOYSA-N 1 1 347.507 0.991 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3csc(NC(C)=O)n3)CC2)C1 ZINC000941472124 610330477 /nfs/dbraw/zinc/33/04/77/610330477.db2.gz UVLXGWDMJGHNAX-UHFFFAOYSA-N 1 1 349.460 0.730 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3cccnc3)CC2)C1 ZINC000941476153 610332460 /nfs/dbraw/zinc/33/24/60/610332460.db2.gz OZTYSVNTVAENKH-UHFFFAOYSA-N 1 1 326.444 0.866 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000940692648 610332549 /nfs/dbraw/zinc/33/25/49/610332549.db2.gz CMOYCZXSDZTUJY-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940692661 610332756 /nfs/dbraw/zinc/33/27/56/610332756.db2.gz CXIAGNGLZRECDT-KGLIPLIRSA-N 1 1 331.420 0.981 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940685610 610335389 /nfs/dbraw/zinc/33/53/89/610335389.db2.gz DNYNTMSHPODZJB-CQSZACIVSA-N 1 1 331.420 0.805 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC000941494494 610341476 /nfs/dbraw/zinc/34/14/76/610341476.db2.gz MGABOBVGOMQQRV-WKULXVSPSA-N 1 1 331.460 0.814 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000940785275 610360549 /nfs/dbraw/zinc/36/05/49/610360549.db2.gz JFKNEZJDHXMXIM-AWEZNQCLSA-N 1 1 343.493 0.815 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940786349 610361579 /nfs/dbraw/zinc/36/15/79/610361579.db2.gz VGZUDLWUUGSOHK-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(OC)cn3)CC2)C1 ZINC000941534087 610365637 /nfs/dbraw/zinc/36/56/37/610365637.db2.gz LDFMQDMWRULZKB-UHFFFAOYSA-N 1 1 330.432 0.647 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000940802458 610369947 /nfs/dbraw/zinc/36/99/47/610369947.db2.gz FHQDISDDYSHDHK-CVEARBPZSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000940802458 610369950 /nfs/dbraw/zinc/36/99/50/610369950.db2.gz FHQDISDDYSHDHK-CVEARBPZSA-N 1 1 328.416 0.372 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000941592301 610388395 /nfs/dbraw/zinc/38/83/95/610388395.db2.gz GMNJELJRJUROTQ-JKSUJKDBSA-N 1 1 348.491 0.683 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000941593818 610389263 /nfs/dbraw/zinc/38/92/63/610389263.db2.gz UQBZDOTVJYNHLK-HOTGVXAUSA-N 1 1 346.475 0.130 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2coc(C)n2)CC1 ZINC000940848118 610398547 /nfs/dbraw/zinc/39/85/47/610398547.db2.gz NCPQKFWZZJHWQH-INIZCTEOSA-N 1 1 344.415 0.755 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2coc(C)n2)CC1 ZINC000940848118 610398549 /nfs/dbraw/zinc/39/85/49/610398549.db2.gz NCPQKFWZZJHWQH-INIZCTEOSA-N 1 1 344.415 0.755 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC000941635641 610421529 /nfs/dbraw/zinc/42/15/29/610421529.db2.gz VOSNAPKUZNOBBE-IBGZPJMESA-N 1 1 348.491 0.649 20 30 ECEDMO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(CC#N)C2)CC1 ZINC000941636406 610422337 /nfs/dbraw/zinc/42/23/37/610422337.db2.gz KZVXKSOMKZWICE-GOSISDBHSA-N 1 1 347.507 0.993 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000940875988 610422403 /nfs/dbraw/zinc/42/24/03/610422403.db2.gz VMFLNJPJKBXUOE-HNNXBMFYSA-N 1 1 346.431 0.353 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c4c(nn3C)CCC4)CC2)C1 ZINC000941636880 610422932 /nfs/dbraw/zinc/42/29/32/610422932.db2.gz WXDJUGPTQOUKNM-UHFFFAOYSA-N 1 1 341.459 0.374 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](C)C1 ZINC000942394968 610429228 /nfs/dbraw/zinc/42/92/28/610429228.db2.gz VHSQRQDIJTZKHK-GJZGRUSLSA-N 1 1 348.447 0.906 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)C1 ZINC000941661756 610434739 /nfs/dbraw/zinc/43/47/39/610434739.db2.gz GSYMHNBCNHTMNR-UHFFFAOYSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000941648787 610439926 /nfs/dbraw/zinc/43/99/26/610439926.db2.gz ADUBXXUCIJAZMR-MRXNPFEDSA-N 1 1 348.491 0.840 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000941675163 610448017 /nfs/dbraw/zinc/44/80/17/610448017.db2.gz RVTDQBVLBDQJDH-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941676874 610449617 /nfs/dbraw/zinc/44/96/17/610449617.db2.gz GFYKWKRRYHSBPH-CALCHBBNSA-N 1 1 332.492 0.711 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000942435029 610460500 /nfs/dbraw/zinc/46/05/00/610460500.db2.gz PZKCMDKKUPPGEE-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC000941687860 610464464 /nfs/dbraw/zinc/46/44/64/610464464.db2.gz VDJYYMVKODEEGB-UHFFFAOYSA-N 1 1 332.452 0.152 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cccc4nnn(C)c43)CC2)C1 ZINC000941693489 610466791 /nfs/dbraw/zinc/46/67/91/610466791.db2.gz VFKYMVFGZMMYCL-UHFFFAOYSA-N 1 1 340.431 0.596 20 30 ECEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)C(N)=O ZINC000940996962 610476417 /nfs/dbraw/zinc/47/64/17/610476417.db2.gz LFVPVGVUYGVIKU-AWEZNQCLSA-N 1 1 332.379 0.899 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)C(N)=O ZINC000940996962 610476420 /nfs/dbraw/zinc/47/64/20/610476420.db2.gz LFVPVGVUYGVIKU-AWEZNQCLSA-N 1 1 332.379 0.899 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1NC(=O)C(N)=O ZINC000940996841 610476534 /nfs/dbraw/zinc/47/65/34/610476534.db2.gz IKMPJIVGZGHORD-CQSZACIVSA-N 1 1 332.379 0.899 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](C)C1 ZINC000942517823 610491403 /nfs/dbraw/zinc/49/14/03/610491403.db2.gz GVEWADIYHFPIGW-ZIAGYGMSSA-N 1 1 329.466 0.425 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)CC2(C)C)c1 ZINC000941015734 610495212 /nfs/dbraw/zinc/49/52/12/610495212.db2.gz SKGMYPVBHADERH-HOTGVXAUSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](C)C1 ZINC000942529441 610501034 /nfs/dbraw/zinc/50/10/34/610501034.db2.gz KKMQQUMCRCBUJC-TZMCWYRMSA-N 1 1 327.392 0.684 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](C)C1 ZINC000942546956 610507170 /nfs/dbraw/zinc/50/71/70/610507170.db2.gz CZVVFKJENXKGKS-AAEUAGOBSA-N 1 1 342.407 0.157 20 30 ECEDMO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562178 610518143 /nfs/dbraw/zinc/51/81/43/610518143.db2.gz IGVNCECOHWIVKR-HOCLYGCPSA-N 1 1 338.415 0.702 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000941088992 610530887 /nfs/dbraw/zinc/53/08/87/610530887.db2.gz QRXIDPHXBTZEFQ-HUUCEWRRSA-N 1 1 330.432 0.957 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C[C@H]2C)c1 ZINC000942616379 610538702 /nfs/dbraw/zinc/53/87/02/610538702.db2.gz LJWWUWGRNSJRBB-CZUORRHYSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CCS(C)(=O)=O)C[C@H]2C)c1 ZINC000942616379 610538704 /nfs/dbraw/zinc/53/87/04/610538704.db2.gz LJWWUWGRNSJRBB-CZUORRHYSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@@H]2C)c1 ZINC000942618372 610539753 /nfs/dbraw/zinc/53/97/53/610539753.db2.gz VAUORSGCQVCCFG-GUYCJALGSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C[C@@H]2C)c1 ZINC000942618372 610539756 /nfs/dbraw/zinc/53/97/56/610539756.db2.gz VAUORSGCQVCCFG-GUYCJALGSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000941882078 610540571 /nfs/dbraw/zinc/54/05/71/610540571.db2.gz ORBZWNOJBBLSPH-LSDHHAIUSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000941134536 610558781 /nfs/dbraw/zinc/55/87/81/610558781.db2.gz YEEHTHAYSQGBTL-GOEBONIOSA-N 1 1 345.447 0.778 20 30 ECEDMO C[C@@H]1C[N@H+](CCS(C)(=O)=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931365 610568530 /nfs/dbraw/zinc/56/85/30/610568530.db2.gz YMAQFPXYNDIJDS-DGCLKSJQSA-N 1 1 338.433 0.371 20 30 ECEDMO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931365 610568532 /nfs/dbraw/zinc/56/85/32/610568532.db2.gz YMAQFPXYNDIJDS-DGCLKSJQSA-N 1 1 338.433 0.371 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccnc3nc(C)nn32)C(C)(C)C1 ZINC000941161674 610569812 /nfs/dbraw/zinc/56/98/12/610569812.db2.gz RJJOBVJGZUUNHD-AWEZNQCLSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000941240569 610613262 /nfs/dbraw/zinc/61/32/62/610613262.db2.gz GMZKPYQJZBMLHS-JTDSTZFVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000941240569 610613263 /nfs/dbraw/zinc/61/32/63/610613263.db2.gz GMZKPYQJZBMLHS-JTDSTZFVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nccs2)C1 ZINC000941241231 610614436 /nfs/dbraw/zinc/61/44/36/610614436.db2.gz ZKCQGVGTQQDLOB-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nccs2)C1 ZINC000941241231 610614438 /nfs/dbraw/zinc/61/44/38/610614438.db2.gz ZKCQGVGTQQDLOB-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c(C)ncn2C)C1 ZINC000941242112 610614879 /nfs/dbraw/zinc/61/48/79/610614879.db2.gz UUMDCKZKSKCDKN-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c(C)ncn2C)C1 ZINC000941242112 610614880 /nfs/dbraw/zinc/61/48/80/610614880.db2.gz UUMDCKZKSKCDKN-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccnc(C)n2)C1 ZINC000941245468 610616316 /nfs/dbraw/zinc/61/63/16/610616316.db2.gz OXXMCVSAYDJRNX-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccnc(C)n2)C1 ZINC000941245468 610616319 /nfs/dbraw/zinc/61/63/19/610616319.db2.gz OXXMCVSAYDJRNX-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000942796314 610625320 /nfs/dbraw/zinc/62/53/20/610625320.db2.gz AQXCYIWMTIITHO-CABCVRRESA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2cnco2)C1 ZINC000942884511 610663987 /nfs/dbraw/zinc/66/39/87/610663987.db2.gz ULFUKZXLEUGRPL-CABCVRRESA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2cnco2)C1 ZINC000942884511 610663989 /nfs/dbraw/zinc/66/39/89/610663989.db2.gz ULFUKZXLEUGRPL-CABCVRRESA-N 1 1 344.415 0.835 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](C)C1 ZINC000942130442 610665582 /nfs/dbraw/zinc/66/55/82/610665582.db2.gz NSAZSUNVUHGQLH-WCQYABFASA-N 1 1 329.828 0.424 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](C)C1 ZINC000942130442 610665583 /nfs/dbraw/zinc/66/55/83/610665583.db2.gz NSAZSUNVUHGQLH-WCQYABFASA-N 1 1 329.828 0.424 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1OC ZINC000942133554 610671094 /nfs/dbraw/zinc/67/10/94/610671094.db2.gz YKRMMUNBCFGRJR-IXDOHACOSA-N 1 1 347.459 0.616 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1)C2 ZINC000942153039 610676315 /nfs/dbraw/zinc/67/63/15/610676315.db2.gz NNFRMOLTMOUBBK-DZGCQCFKSA-N 1 1 343.431 0.975 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](C)C1 ZINC000942257457 610714166 /nfs/dbraw/zinc/71/41/66/610714166.db2.gz LPNLNHWLBXTPRG-RYUDHWBXSA-N 1 1 341.433 0.943 20 30 ECEDMO O=C(C#CC1CC1)N1CCN(C2C[NH+](C[C@@H]3CCCCO3)C2)CC1 ZINC000941401186 610719526 /nfs/dbraw/zinc/71/95/26/610719526.db2.gz WOZXBPRQVLMECW-SFHVURJKSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2cocn2)C1 ZINC000943137656 610732978 /nfs/dbraw/zinc/73/29/78/610732978.db2.gz RDRTYRLFQZZFMR-ZBFHGGJFSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)c2cocn2)C1 ZINC000943137656 610732979 /nfs/dbraw/zinc/73/29/79/610732979.db2.gz RDRTYRLFQZZFMR-ZBFHGGJFSA-N 1 1 344.415 0.883 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000943165603 610734648 /nfs/dbraw/zinc/73/46/48/610734648.db2.gz OBWSPKCHXQOART-GJZGRUSLSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943154502 610737030 /nfs/dbraw/zinc/73/70/30/610737030.db2.gz AMKHUVXPIGUNHW-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943154502 610737031 /nfs/dbraw/zinc/73/70/31/610737031.db2.gz AMKHUVXPIGUNHW-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]2C)nc1 ZINC000944191214 610775753 /nfs/dbraw/zinc/77/57/53/610775753.db2.gz ABYLZBMDJPKSII-CZUORRHYSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C[C@H]2C)nc1 ZINC000944191214 610775754 /nfs/dbraw/zinc/77/57/54/610775754.db2.gz ABYLZBMDJPKSII-CZUORRHYSA-N 1 1 338.415 0.832 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943289657 610781904 /nfs/dbraw/zinc/78/19/04/610781904.db2.gz NERJERWZPHZFNK-IAGOWNOFSA-N 1 1 347.459 0.618 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)C#CC3CC3)C2)C1 ZINC000943289657 610781906 /nfs/dbraw/zinc/78/19/06/610781906.db2.gz NERJERWZPHZFNK-IAGOWNOFSA-N 1 1 347.459 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2C)cn1 ZINC000944214382 610786813 /nfs/dbraw/zinc/78/68/13/610786813.db2.gz KMXDTYVTMMDTIZ-CJNGLKHVSA-N 1 1 328.416 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C1CC1)CC2 ZINC000944816962 610796995 /nfs/dbraw/zinc/79/69/95/610796995.db2.gz BPKUBGGCKRDTSC-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C1CC1)CC2 ZINC000944816962 610796998 /nfs/dbraw/zinc/79/69/98/610796998.db2.gz BPKUBGGCKRDTSC-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1oncc1C ZINC000944257315 610809852 /nfs/dbraw/zinc/80/98/52/610809852.db2.gz KKHUWTKWZVOGBX-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1oncc1C ZINC000944257315 610809855 /nfs/dbraw/zinc/80/98/55/610809855.db2.gz KKHUWTKWZVOGBX-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000944907757 610834911 /nfs/dbraw/zinc/83/49/11/610834911.db2.gz OKWUCVNYYBKHLL-JSGCOSHPSA-N 1 1 334.420 0.892 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000944415624 610858200 /nfs/dbraw/zinc/85/82/00/610858200.db2.gz BIKTWYGCZWGAJK-CABCVRRESA-N 1 1 332.448 0.939 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](C)C1 ZINC000943513870 610881320 /nfs/dbraw/zinc/88/13/20/610881320.db2.gz AYXJHFOADUXZRB-HUUCEWRRSA-N 1 1 348.451 0.582 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2C)CC1 ZINC000945184735 610938571 /nfs/dbraw/zinc/93/85/71/610938571.db2.gz XMIUPIZBJJPYGI-NVXWUHKLSA-N 1 1 348.491 0.246 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(=O)NC)n2)[C@@H](C)C1 ZINC000944532350 610951801 /nfs/dbraw/zinc/95/18/01/610951801.db2.gz KUUJNBWRLILPPO-KBPBESRZSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000943760897 610978449 /nfs/dbraw/zinc/97/84/49/610978449.db2.gz FSUGNVIFLATYQF-SMDDNHRTSA-N 1 1 332.404 0.589 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 ZINC000944653112 611061327 /nfs/dbraw/zinc/06/13/27/611061327.db2.gz KYYCLCKQFLLSQO-STQMWFEESA-N 1 1 334.420 0.167 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000944051312 611103568 /nfs/dbraw/zinc/10/35/68/611103568.db2.gz LMJGFLZBPXZDLS-BPLDGKMQSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC000944705307 611105784 /nfs/dbraw/zinc/10/57/84/611105784.db2.gz JYPMGWFSIFWLOK-QXSJWSMHSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC000944705307 611105786 /nfs/dbraw/zinc/10/57/86/611105786.db2.gz JYPMGWFSIFWLOK-QXSJWSMHSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1ccc[nH]1 ZINC000944056656 611106276 /nfs/dbraw/zinc/10/62/76/611106276.db2.gz NQMSUSIOFCPDNN-SJORKVTESA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1ccc[nH]1 ZINC000944056656 611106277 /nfs/dbraw/zinc/10/62/77/611106277.db2.gz NQMSUSIOFCPDNN-SJORKVTESA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC000944100196 611131920 /nfs/dbraw/zinc/13/19/20/611131920.db2.gz NYQBEFDRVLLAJD-OAGGEKHMSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC000944100196 611131922 /nfs/dbraw/zinc/13/19/22/611131922.db2.gz NYQBEFDRVLLAJD-OAGGEKHMSA-N 1 1 329.444 0.991 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)CC[C@@H]2C1 ZINC000946831280 611181603 /nfs/dbraw/zinc/18/16/03/611181603.db2.gz QVIVJRLUESIPRG-OKILXGFUSA-N 1 1 338.843 0.986 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC[C@@H]2C1 ZINC000946836643 611185148 /nfs/dbraw/zinc/18/51/48/611185148.db2.gz IXWLQODKCDOVGT-OKILXGFUSA-N 1 1 328.416 0.921 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CCOC)c3)CC[C@@H]2C1 ZINC000946875360 611215204 /nfs/dbraw/zinc/21/52/04/611215204.db2.gz NFAMRQQXBHWXOY-IYBDPMFKSA-N 1 1 330.432 0.947 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)CC[C@@H]2C1 ZINC000946884763 611224687 /nfs/dbraw/zinc/22/46/87/611224687.db2.gz MLEPCAHCEUWDHO-GASCZTMLSA-N 1 1 348.447 0.627 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000946080843 611224871 /nfs/dbraw/zinc/22/48/71/611224871.db2.gz WZBLTTLPJOJWKR-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000946119223 611235419 /nfs/dbraw/zinc/23/54/19/611235419.db2.gz HUHDGUHRWUGZGO-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000923487763 611249517 /nfs/dbraw/zinc/24/95/17/611249517.db2.gz HFFLFOCXJVHZRB-XSDHEKCYSA-N 1 1 337.464 0.804 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)CC[C@@H]2C1 ZINC000946911403 611253516 /nfs/dbraw/zinc/25/35/16/611253516.db2.gz SHCXBZOAYGBUHM-IYBDPMFKSA-N 1 1 340.427 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3sc(C)cn3c2=O)C1 ZINC000923563904 611263377 /nfs/dbraw/zinc/26/33/77/611263377.db2.gz ZKJHVGAPFGAUHQ-GFCCVEGCSA-N 1 1 330.413 0.892 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3sc(C)cn3c2=O)C1 ZINC000923563904 611263378 /nfs/dbraw/zinc/26/33/78/611263378.db2.gz ZKJHVGAPFGAUHQ-GFCCVEGCSA-N 1 1 330.413 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 ZINC000923565247 611264179 /nfs/dbraw/zinc/26/41/79/611264179.db2.gz DXAPRXADRKIHJD-HNNXBMFYSA-N 1 1 339.399 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 ZINC000923565247 611264180 /nfs/dbraw/zinc/26/41/80/611264180.db2.gz DXAPRXADRKIHJD-HNNXBMFYSA-N 1 1 339.399 0.398 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCCNC(=O)c2cccnc2)C1 ZINC000923569801 611264516 /nfs/dbraw/zinc/26/45/16/611264516.db2.gz GAMAPOFJGOBDAE-INIZCTEOSA-N 1 1 328.416 0.805 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCNC(=O)c2cccnc2)C1 ZINC000923569801 611264517 /nfs/dbraw/zinc/26/45/17/611264517.db2.gz GAMAPOFJGOBDAE-INIZCTEOSA-N 1 1 328.416 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000923572054 611265229 /nfs/dbraw/zinc/26/52/29/611265229.db2.gz UVWARWPURRNKPQ-OLZOCXBDSA-N 1 1 329.466 0.164 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000923572054 611265230 /nfs/dbraw/zinc/26/52/30/611265230.db2.gz UVWARWPURRNKPQ-OLZOCXBDSA-N 1 1 329.466 0.164 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN(C)c2ncnc3nc[nH]c32)C1 ZINC000923582199 611269529 /nfs/dbraw/zinc/26/95/29/611269529.db2.gz GNISDQVDVWGPTQ-LBPRGKRZSA-N 1 1 327.392 0.003 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN(C)c2ncnc3nc[nH]c32)C1 ZINC000923582199 611269530 /nfs/dbraw/zinc/26/95/30/611269530.db2.gz GNISDQVDVWGPTQ-LBPRGKRZSA-N 1 1 327.392 0.003 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000923589390 611270542 /nfs/dbraw/zinc/27/05/42/611270542.db2.gz PYNWXVQLLSPBCO-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000923589390 611270543 /nfs/dbraw/zinc/27/05/43/611270543.db2.gz PYNWXVQLLSPBCO-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c3ccccc3n(C)c2=O)C1 ZINC000923590196 611270614 /nfs/dbraw/zinc/27/06/14/611270614.db2.gz ZPTDOWGDQXZUJC-CQSZACIVSA-N 1 1 326.400 0.554 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c3ccccc3n(C)c2=O)C1 ZINC000923590196 611270616 /nfs/dbraw/zinc/27/06/16/611270616.db2.gz ZPTDOWGDQXZUJC-CQSZACIVSA-N 1 1 326.400 0.554 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)CC)CC2)C1 ZINC000923591464 611271058 /nfs/dbraw/zinc/27/10/58/611271058.db2.gz BJGHHMYWNHAVLA-HNNXBMFYSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)CC)CC2)C1 ZINC000923591464 611271059 /nfs/dbraw/zinc/27/10/59/611271059.db2.gz BJGHHMYWNHAVLA-HNNXBMFYSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccn(C)c2)CC1 ZINC000946455478 611273193 /nfs/dbraw/zinc/27/31/93/611273193.db2.gz LERVNNWTLGZONZ-KRWDZBQOSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccn(C)c2)CC1 ZINC000946455478 611273195 /nfs/dbraw/zinc/27/31/95/611273195.db2.gz LERVNNWTLGZONZ-KRWDZBQOSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000923594083 611275195 /nfs/dbraw/zinc/27/51/95/611275195.db2.gz ZCPQBHHAFIFNJX-OAHLLOKOSA-N 1 1 349.456 0.569 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000923594083 611275196 /nfs/dbraw/zinc/27/51/96/611275196.db2.gz ZCPQBHHAFIFNJX-OAHLLOKOSA-N 1 1 349.456 0.569 20 30 ECEDMO C#CCn1cc(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000834609871 611294861 /nfs/dbraw/zinc/29/48/61/611294861.db2.gz NOGAOCWSKJEIIS-LJQANCHMSA-N 1 1 338.411 0.770 20 30 ECEDMO Fc1cnccc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000834925844 611305756 /nfs/dbraw/zinc/30/57/56/611305756.db2.gz RYBPEEAAXAEUGR-UHFFFAOYSA-N 1 1 325.413 0.741 20 30 ECEDMO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)N=S(=O)(CC)CC ZINC000922022598 611331361 /nfs/dbraw/zinc/33/13/61/611331361.db2.gz OUCZDJWWZWYNPO-UHFFFAOYSA-N 1 1 335.495 0.768 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCO[C@@](C)(C#N)C2)C1 ZINC000933593963 611734809 /nfs/dbraw/zinc/73/48/09/611734809.db2.gz FZWFWWYAJVTRBV-WBVHZDCISA-N 1 1 338.452 0.074 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@@H](C)C1 ZINC000947903167 611736760 /nfs/dbraw/zinc/73/67/60/611736760.db2.gz DTCSBBQUHAGCFZ-KBPBESRZSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@@H](C)C1 ZINC000947903167 611736762 /nfs/dbraw/zinc/73/67/62/611736762.db2.gz DTCSBBQUHAGCFZ-KBPBESRZSA-N 1 1 346.431 0.975 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000933720415 611744111 /nfs/dbraw/zinc/74/41/11/611744111.db2.gz UOSMZBHVZDXTNS-GASCZTMLSA-N 1 1 332.425 0.973 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H](C)C2)cn1 ZINC000947947911 611752325 /nfs/dbraw/zinc/75/23/25/611752325.db2.gz KLGXBARYXVOTDD-GUYCJALGSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H](C)C2)cn1 ZINC000947947911 611752326 /nfs/dbraw/zinc/75/23/26/611752326.db2.gz KLGXBARYXVOTDD-GUYCJALGSA-N 1 1 340.427 0.924 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@H](O)C3(O)CCOCC3)CC2)c(F)c1 ZINC000929460542 611756502 /nfs/dbraw/zinc/75/65/02/611756502.db2.gz CKZPFQNVEMXKJJ-KRWDZBQOSA-N 1 1 349.406 0.722 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934274305 611785025 /nfs/dbraw/zinc/78/50/25/611785025.db2.gz ODIFLIMGJLCUTK-FGTMMUONSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934274305 611785028 /nfs/dbraw/zinc/78/50/28/611785028.db2.gz ODIFLIMGJLCUTK-FGTMMUONSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934274305 611785030 /nfs/dbraw/zinc/78/50/30/611785030.db2.gz ODIFLIMGJLCUTK-FGTMMUONSA-N 1 1 345.443 0.829 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC000950644983 611814712 /nfs/dbraw/zinc/81/47/12/611814712.db2.gz CHMOZAZEBVKLNQ-BMFZPTHFSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC000950644983 611814713 /nfs/dbraw/zinc/81/47/13/611814713.db2.gz CHMOZAZEBVKLNQ-BMFZPTHFSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC000950648123 611816150 /nfs/dbraw/zinc/81/61/50/611816150.db2.gz AWGPHIPFCCNXBX-LVQVYYBASA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC000950648123 611816153 /nfs/dbraw/zinc/81/61/53/611816153.db2.gz AWGPHIPFCCNXBX-LVQVYYBASA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000950648678 611816660 /nfs/dbraw/zinc/81/66/60/611816660.db2.gz YLCFMMUBYRPOPM-KFWWJZLASA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000950648678 611816663 /nfs/dbraw/zinc/81/66/63/611816663.db2.gz YLCFMMUBYRPOPM-KFWWJZLASA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cccn1C ZINC000950753957 611889315 /nfs/dbraw/zinc/88/93/15/611889315.db2.gz PDWPOJKWSUUFMD-CABCVRRESA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cccn1C ZINC000950753957 611889316 /nfs/dbraw/zinc/88/93/16/611889316.db2.gz PDWPOJKWSUUFMD-CABCVRRESA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000950755284 611890896 /nfs/dbraw/zinc/89/08/96/611890896.db2.gz IQGQCDRAQFFYBR-HMDCTGQHSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000950755284 611890897 /nfs/dbraw/zinc/89/08/97/611890897.db2.gz IQGQCDRAQFFYBR-HMDCTGQHSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCc1ncc[nH]1 ZINC000950755875 611891833 /nfs/dbraw/zinc/89/18/33/611891833.db2.gz WWEJGANHQBFCHG-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCc1ncc[nH]1 ZINC000950755875 611891834 /nfs/dbraw/zinc/89/18/34/611891834.db2.gz WWEJGANHQBFCHG-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(C)c1C ZINC000949183478 611892610 /nfs/dbraw/zinc/89/26/10/611892610.db2.gz KLGHGAJLCANMQP-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1n[nH]c(C)c1C ZINC000949183478 611892611 /nfs/dbraw/zinc/89/26/11/611892611.db2.gz KLGHGAJLCANMQP-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC000950192482 611900303 /nfs/dbraw/zinc/90/03/03/611900303.db2.gz CXBMSEDTBPCXLC-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC000950192482 611900305 /nfs/dbraw/zinc/90/03/05/611900305.db2.gz CXBMSEDTBPCXLC-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000950244046 611926147 /nfs/dbraw/zinc/92/61/47/611926147.db2.gz SZDFRAQYIFVZHF-XOKHGSTOSA-N 1 1 340.427 0.734 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3nnn(C)c3C)CC2)C1 ZINC000949329341 611940751 /nfs/dbraw/zinc/94/07/51/611940751.db2.gz SBGRWADZBWWPOZ-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3nnn(C)c3C)CC2)C1 ZINC000949329341 611940753 /nfs/dbraw/zinc/94/07/53/611940753.db2.gz SBGRWADZBWWPOZ-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950320716 611969818 /nfs/dbraw/zinc/96/98/18/611969818.db2.gz URYGRTWUZOCQPA-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950320714 611969888 /nfs/dbraw/zinc/96/98/88/611969888.db2.gz URYGRTWUZOCQPA-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000950385881 611994024 /nfs/dbraw/zinc/99/40/24/611994024.db2.gz DZQMCUJOFTXWJC-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@]23CC[N@@H+](C2)CCC3)c[nH]1 ZINC000949491512 612004017 /nfs/dbraw/zinc/00/40/17/612004017.db2.gz PTVOVCJACKVSAR-QAPCUYQASA-N 1 1 341.415 0.703 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cn(CC)nn3)CC2)C1 ZINC000949504947 612012800 /nfs/dbraw/zinc/01/28/00/612012800.db2.gz XUJUJVIWLFXSAG-UHFFFAOYSA-N 1 1 331.420 0.628 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)n3C)CC2)C1 ZINC000949531857 612023493 /nfs/dbraw/zinc/02/34/93/612023493.db2.gz RHQDGMDOUWKUTJ-UHFFFAOYSA-N 1 1 348.447 0.607 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)C1 ZINC000949537045 612025186 /nfs/dbraw/zinc/02/51/86/612025186.db2.gz XJWQXKPFXOCBQS-CQSZACIVSA-N 1 1 349.431 0.309 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)cc1 ZINC000949597211 612038489 /nfs/dbraw/zinc/03/84/89/612038489.db2.gz OABVQTPNEFUEHD-SFHVURJKSA-N 1 1 338.411 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2nonc2C)C1 ZINC000951223365 612088037 /nfs/dbraw/zinc/08/80/37/612088037.db2.gz FQWJBPAZOAIJIY-KBPBESRZSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2nonc2C)C1 ZINC000951223365 612088040 /nfs/dbraw/zinc/08/80/40/612088040.db2.gz FQWJBPAZOAIJIY-KBPBESRZSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000951223593 612088251 /nfs/dbraw/zinc/08/82/51/612088251.db2.gz LKCKZSHGSNDKOI-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000951223593 612088253 /nfs/dbraw/zinc/08/82/53/612088253.db2.gz LKCKZSHGSNDKOI-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000951223860 612088834 /nfs/dbraw/zinc/08/88/34/612088834.db2.gz RJHHBENCDONEPM-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000951223860 612088838 /nfs/dbraw/zinc/08/88/38/612088838.db2.gz RJHHBENCDONEPM-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000951252927 612106956 /nfs/dbraw/zinc/10/69/56/612106956.db2.gz MXWADJYZYQBFRR-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000951252927 612106957 /nfs/dbraw/zinc/10/69/57/612106957.db2.gz MXWADJYZYQBFRR-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000951950958 612149692 /nfs/dbraw/zinc/14/96/92/612149692.db2.gz NIFFLIJBMKMVFI-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000951950958 612149694 /nfs/dbraw/zinc/14/96/94/612149694.db2.gz NIFFLIJBMKMVFI-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000952014349 612177269 /nfs/dbraw/zinc/17/72/69/612177269.db2.gz KCCFPASIIBDRSW-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC000951385862 612198868 /nfs/dbraw/zinc/19/88/68/612198868.db2.gz OASKHZSIOKYPHW-XOKHGSTOSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000951495309 612269586 /nfs/dbraw/zinc/26/95/86/612269586.db2.gz YIYQVMPCJXRUFK-CVEARBPZSA-N 1 1 340.427 0.735 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1)CC2 ZINC000955136729 612299286 /nfs/dbraw/zinc/29/92/86/612299286.db2.gz ONKCSAVYFDJABB-DGCLKSJQSA-N 1 1 329.404 0.583 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000954470938 612309043 /nfs/dbraw/zinc/30/90/43/612309043.db2.gz WCJTWOOAEYVYOH-HIFRSBDPSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)CC2=CCOCC2)C1 ZINC000955228879 612367182 /nfs/dbraw/zinc/36/71/82/612367182.db2.gz CAKKNCBZUQFEAF-KRWDZBQOSA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)CC2=CCOCC2)C1 ZINC000955228879 612367183 /nfs/dbraw/zinc/36/71/83/612367183.db2.gz CAKKNCBZUQFEAF-KRWDZBQOSA-N 1 1 345.443 0.490 20 30 ECEDMO C=CCn1cccc1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954545800 612389298 /nfs/dbraw/zinc/38/92/98/612389298.db2.gz KXVZEBRDANKDIH-MRXNPFEDSA-N 1 1 346.431 0.288 20 30 ECEDMO C=CCn1cccc1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954545800 612389303 /nfs/dbraw/zinc/38/93/03/612389303.db2.gz KXVZEBRDANKDIH-MRXNPFEDSA-N 1 1 346.431 0.288 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000955337494 612456439 /nfs/dbraw/zinc/45/64/39/612456439.db2.gz NXTCMJUUPBSHEA-LBPRGKRZSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccnc(C)c2)C1 ZINC000954630385 612466801 /nfs/dbraw/zinc/46/68/01/612466801.db2.gz DUPLVCQSQOYUID-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccnc(C)c2)C1 ZINC000954630385 612466803 /nfs/dbraw/zinc/46/68/03/612466803.db2.gz DUPLVCQSQOYUID-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(F)cn2)C1 ZINC000954630831 612468638 /nfs/dbraw/zinc/46/86/38/612468638.db2.gz LIJAKDRWTTYPEG-INIZCTEOSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(F)cn2)C1 ZINC000954630831 612468639 /nfs/dbraw/zinc/46/86/39/612468639.db2.gz LIJAKDRWTTYPEG-INIZCTEOSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2occc2C)C1 ZINC000954631105 612469089 /nfs/dbraw/zinc/46/90/89/612469089.db2.gz OZRNJHABVKCVJD-INIZCTEOSA-N 1 1 343.427 0.897 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2occc2C)C1 ZINC000954631105 612469093 /nfs/dbraw/zinc/46/90/93/612469093.db2.gz OZRNJHABVKCVJD-INIZCTEOSA-N 1 1 343.427 0.897 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CCOCC2)C1 ZINC000954631337 612470230 /nfs/dbraw/zinc/47/02/30/612470230.db2.gz XCLWVRRMCBHVLV-INIZCTEOSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CCOCC2)C1 ZINC000954631337 612470234 /nfs/dbraw/zinc/47/02/34/612470234.db2.gz XCLWVRRMCBHVLV-INIZCTEOSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000955407897 612551541 /nfs/dbraw/zinc/55/15/41/612551541.db2.gz DPBCUAIEEAMQSV-VNQPRFMTSA-N 1 1 333.432 0.321 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000955407897 612551545 /nfs/dbraw/zinc/55/15/45/612551545.db2.gz DPBCUAIEEAMQSV-VNQPRFMTSA-N 1 1 333.432 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C)n2C)C1 ZINC000953725317 612559308 /nfs/dbraw/zinc/55/93/08/612559308.db2.gz QUCDFWYRGOTUJD-KRWDZBQOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C)n2C)C1 ZINC000953725317 612559312 /nfs/dbraw/zinc/55/93/12/612559312.db2.gz QUCDFWYRGOTUJD-KRWDZBQOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2cc[nH]n2)CC1 ZINC000953773577 612608753 /nfs/dbraw/zinc/60/87/53/612608753.db2.gz OYIXWAILRJLPOS-INIZCTEOSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2cc[nH]n2)CC1 ZINC000953773577 612608756 /nfs/dbraw/zinc/60/87/56/612608756.db2.gz OYIXWAILRJLPOS-INIZCTEOSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2ccn[nH]2)CC1 ZINC000953773577 612608759 /nfs/dbraw/zinc/60/87/59/612608759.db2.gz OYIXWAILRJLPOS-INIZCTEOSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2ccn[nH]2)CC1 ZINC000953773577 612608763 /nfs/dbraw/zinc/60/87/63/612608763.db2.gz OYIXWAILRJLPOS-INIZCTEOSA-N 1 1 343.431 0.570 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC000956019343 612616804 /nfs/dbraw/zinc/61/68/04/612616804.db2.gz AGRXUMTUEGDLMI-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)nc1 ZINC000956020579 612619631 /nfs/dbraw/zinc/61/96/31/612619631.db2.gz XEBHJTHXCCDHDG-HOTGVXAUSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC000956022190 612622987 /nfs/dbraw/zinc/62/29/87/612622987.db2.gz JUAIZPAUXIWBFY-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cscn1 ZINC000956072702 612676724 /nfs/dbraw/zinc/67/67/24/612676724.db2.gz GWOZEONRWJIYQK-ZFWWWQNUSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cscn1 ZINC000956072702 612676725 /nfs/dbraw/zinc/67/67/25/612676725.db2.gz GWOZEONRWJIYQK-ZFWWWQNUSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccncn1 ZINC000956073082 612677314 /nfs/dbraw/zinc/67/73/14/612677314.db2.gz MUWZRDOVFRORTJ-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccncn1 ZINC000956073082 612677315 /nfs/dbraw/zinc/67/73/15/612677315.db2.gz MUWZRDOVFRORTJ-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2coc(CC)n2)C1 ZINC000954114138 612677326 /nfs/dbraw/zinc/67/73/26/612677326.db2.gz BVVCVDMNRHGZCA-HNNXBMFYSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2coc(CC)n2)C1 ZINC000954114138 612677327 /nfs/dbraw/zinc/67/73/27/612677327.db2.gz BVVCVDMNRHGZCA-HNNXBMFYSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cncs1 ZINC000956073298 612677432 /nfs/dbraw/zinc/67/74/32/612677432.db2.gz OLUGKUKMNUVHSO-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cncs1 ZINC000956073298 612677436 /nfs/dbraw/zinc/67/74/36/612677436.db2.gz OLUGKUKMNUVHSO-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc1 ZINC000954912258 612781619 /nfs/dbraw/zinc/78/16/19/612781619.db2.gz GULADYGTROJTHP-CQSZACIVSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC000954912248 612781645 /nfs/dbraw/zinc/78/16/45/612781645.db2.gz GRFXVJGVIVQPRX-CZUORRHYSA-N 1 1 340.427 0.543 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC000954308563 612840930 /nfs/dbraw/zinc/84/09/30/612840930.db2.gz WAESIIUEZDHSNK-ZDUSSCGKSA-N 1 1 346.435 0.231 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954317478 612845813 /nfs/dbraw/zinc/84/58/13/612845813.db2.gz KVJVMANGXQHZQA-QGZVFWFLSA-N 1 1 339.439 0.831 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000956375159 612861741 /nfs/dbraw/zinc/86/17/41/612861741.db2.gz MBMLFVJVNFEMCP-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ncoc2C)C1 ZINC000956746940 612942560 /nfs/dbraw/zinc/94/25/60/612942560.db2.gz OTIWZWLGLWLQKE-KSSFIOAISA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ncoc2C)C1 ZINC000956746940 612942561 /nfs/dbraw/zinc/94/25/61/612942561.db2.gz OTIWZWLGLWLQKE-KSSFIOAISA-N 1 1 344.415 0.801 20 30 ECEDMO N#CCc1cncc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737499 720745393 /nfs/dbraw/zinc/74/53/93/720745393.db2.gz BZJASCUEGFQOAF-GJZGRUSLSA-N 1 1 337.387 0.675 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC001041786345 782204300 /nfs/dbraw/zinc/20/43/00/782204300.db2.gz UGLNYZZXRIBMEK-MRXNPFEDSA-N 1 1 332.360 0.068 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC001041786449 782204269 /nfs/dbraw/zinc/20/42/69/782204269.db2.gz HNXPUMRPDACNLT-KRWDZBQOSA-N 1 1 342.403 0.532 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC001041786805 782206572 /nfs/dbraw/zinc/20/65/72/782206572.db2.gz WDQBVYNTEQBQME-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786805 782206580 /nfs/dbraw/zinc/20/65/80/782206580.db2.gz WDQBVYNTEQBQME-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786805 782206587 /nfs/dbraw/zinc/20/65/87/782206587.db2.gz WDQBVYNTEQBQME-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786805 782206591 /nfs/dbraw/zinc/20/65/91/782206591.db2.gz WDQBVYNTEQBQME-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786805 782206598 /nfs/dbraw/zinc/20/65/98/782206598.db2.gz WDQBVYNTEQBQME-KBXCAEBGSA-N 1 1 327.432 0.857 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)Cc3cc[nH]n3)C(C)(C)C2)C1=O ZINC000972984102 738476499 /nfs/dbraw/zinc/47/64/99/738476499.db2.gz BFDLVTKGIUBIGU-CABCVRRESA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)Cc3cc[nH]n3)C(C)(C)C2)C1=O ZINC000972984102 738476501 /nfs/dbraw/zinc/47/65/01/738476501.db2.gz BFDLVTKGIUBIGU-CABCVRRESA-N 1 1 345.447 0.566 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)CC1=O ZINC001038319409 738481485 /nfs/dbraw/zinc/48/14/85/738481485.db2.gz XUOLREFNVWLXJZ-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)CC1=O ZINC001038319409 738481486 /nfs/dbraw/zinc/48/14/86/738481486.db2.gz XUOLREFNVWLXJZ-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000969156194 731536211 /nfs/dbraw/zinc/53/62/11/731536211.db2.gz LZWJAPGYWFXEEO-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)nc1 ZINC001041793173 782220288 /nfs/dbraw/zinc/22/02/88/782220288.db2.gz FLZSYCMSNXHAQR-FZKQIMNGSA-N 1 1 326.400 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)C3=COCCO3)C2)C1=O ZINC000969242677 731639651 /nfs/dbraw/zinc/63/96/51/731639651.db2.gz KPSMDGXHAJJRNM-GXTWGEPZSA-N 1 1 335.404 0.098 20 30 ECEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001213344628 731745018 /nfs/dbraw/zinc/74/50/18/731745018.db2.gz ZEWSOKBOEBCYSL-MGPQQGTHSA-N 1 1 326.441 0.454 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069980162 790273680 /nfs/dbraw/zinc/27/36/80/790273680.db2.gz GKUKUGGXRLFRBG-CABCVRRESA-N 1 1 342.403 0.782 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069980162 790273685 /nfs/dbraw/zinc/27/36/85/790273685.db2.gz GKUKUGGXRLFRBG-CABCVRRESA-N 1 1 342.403 0.782 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3csc4nccn34)[C@H]2C1 ZINC001083276808 738550037 /nfs/dbraw/zinc/55/00/37/738550037.db2.gz XIJPCBYSHQIHQZ-LSDHHAIUSA-N 1 1 344.440 0.873 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C)ncn3)C2)C1=O ZINC000969509012 731937541 /nfs/dbraw/zinc/93/75/41/731937541.db2.gz RNAHEVVJLOCVLP-XJKSGUPXSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3coc(C)n3)C2)C1=O ZINC000969548830 731957669 /nfs/dbraw/zinc/95/76/69/731957669.db2.gz OSQRGSMEXGRDAQ-ABAIWWIYSA-N 1 1 332.404 0.820 20 30 ECEDMO C[C@H](NC(=O)c1ncn(C)n1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969595702 731988989 /nfs/dbraw/zinc/98/89/89/731988989.db2.gz BROPCSVEKXJBRQ-JTQLQIEISA-N 1 1 330.417 0.999 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969597461 731995352 /nfs/dbraw/zinc/99/53/52/731995352.db2.gz ZVIXQHYVRKOZNJ-WBMJQRKESA-N 1 1 345.374 0.722 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccc(C)nn3)C2)C1=O ZINC000969655372 732026220 /nfs/dbraw/zinc/02/62/20/732026220.db2.gz WVVSXEUWDBMNJU-XJKSGUPXSA-N 1 1 343.431 0.622 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCN(C(=O)CC)C2)CC1 ZINC001098524548 732068188 /nfs/dbraw/zinc/06/81/88/732068188.db2.gz LWPDOAGZBJOQFY-INIZCTEOSA-N 1 1 349.475 0.554 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969787100 732347832 /nfs/dbraw/zinc/34/78/32/732347832.db2.gz BGUNIGFIPYVLJP-NVXWUHKLSA-N 1 1 339.439 0.953 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969787737 732348803 /nfs/dbraw/zinc/34/88/03/732348803.db2.gz FVPPESZRLQBXPV-BBRMVZONSA-N 1 1 340.427 0.973 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000969841856 732429004 /nfs/dbraw/zinc/42/90/04/732429004.db2.gz MAWITXOQGYYLJC-SWLSCSKDSA-N 1 1 344.415 0.529 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ccnn2C)C1 ZINC000969868506 732463440 /nfs/dbraw/zinc/46/34/40/732463440.db2.gz JKAZEBKQQRUYKI-PBHICJAKSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ccnn2C)C1 ZINC000969868506 732463444 /nfs/dbraw/zinc/46/34/44/732463444.db2.gz JKAZEBKQQRUYKI-PBHICJAKSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cc(C)n(C)n2)C1 ZINC000969865791 732463947 /nfs/dbraw/zinc/46/39/47/732463947.db2.gz QTUBBZWPFTZTCE-QAPCUYQASA-N 1 1 343.475 0.763 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cc(C)n(C)n2)C1 ZINC000969865791 732463949 /nfs/dbraw/zinc/46/39/49/732463949.db2.gz QTUBBZWPFTZTCE-QAPCUYQASA-N 1 1 343.475 0.763 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001041816193 782260954 /nfs/dbraw/zinc/26/09/54/782260954.db2.gz LVHUQYJZWRHMGH-SFHVURJKSA-N 1 1 346.431 0.265 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC000969910165 732505988 /nfs/dbraw/zinc/50/59/88/732505988.db2.gz DQZNMVFBGGQVTO-MFKMUULPSA-N 1 1 347.419 0.261 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001041817117 782262600 /nfs/dbraw/zinc/26/26/00/782262600.db2.gz VPXCZSMSVAARAC-GOSISDBHSA-N 1 1 348.447 0.817 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC000970015845 732622043 /nfs/dbraw/zinc/62/20/43/732622043.db2.gz ZQLFOWHXJSONNO-MCIONIFRSA-N 1 1 348.451 0.710 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nncn1C ZINC001025090541 738629542 /nfs/dbraw/zinc/62/95/42/738629542.db2.gz KWBUPVAQSCEIDH-KFWWJZLASA-N 1 1 333.436 0.877 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001041824190 782278108 /nfs/dbraw/zinc/27/81/08/782278108.db2.gz UNCCDFQAAQFUSM-MRXNPFEDSA-N 1 1 339.823 0.812 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001041824190 782278111 /nfs/dbraw/zinc/27/81/11/782278111.db2.gz UNCCDFQAAQFUSM-MRXNPFEDSA-N 1 1 339.823 0.812 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001078088476 782284853 /nfs/dbraw/zinc/28/48/53/782284853.db2.gz TWDXOOLXVMGXBU-GDBMZVCRSA-N 1 1 329.404 0.709 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2ccc3nccn3c2)CC1 ZINC001098530537 733022057 /nfs/dbraw/zinc/02/20/57/733022057.db2.gz BJDBXUPJKJPYTF-UHFFFAOYSA-N 1 1 326.400 0.866 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CNc2ccnc(C#N)n2)C(C)(C)C)C1 ZINC001125828478 738676177 /nfs/dbraw/zinc/67/61/77/738676177.db2.gz TUJYQNKYHRJHTH-OLZOCXBDSA-N 1 1 346.435 0.044 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CNc2ccnc(C#N)n2)C(C)(C)C)C1 ZINC001125828478 738676180 /nfs/dbraw/zinc/67/61/80/738676180.db2.gz TUJYQNKYHRJHTH-OLZOCXBDSA-N 1 1 346.435 0.044 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC001041840248 782319144 /nfs/dbraw/zinc/31/91/44/782319144.db2.gz WUOHFGKCFMGVMQ-WMZOPIPTSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc(F)c[nH]3)C2)C1=O ZINC000970175679 733129045 /nfs/dbraw/zinc/12/90/45/733129045.db2.gz UTDNQANMJZLEFS-XHDPSFHLSA-N 1 1 334.395 0.991 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nncn3C)C2)cc1 ZINC000970198261 733180071 /nfs/dbraw/zinc/18/00/71/733180071.db2.gz ICCZPGZQTYQMDO-OAHLLOKOSA-N 1 1 339.399 0.831 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC000970223559 733234254 /nfs/dbraw/zinc/23/42/54/733234254.db2.gz PFTNAEUBXBSRIU-KGLIPLIRSA-N 1 1 330.432 0.997 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970263880 733272257 /nfs/dbraw/zinc/27/22/57/733272257.db2.gz GKUYRTMASZLCRA-YGRLFVJLSA-N 1 1 332.429 0.692 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCN(C)C1=O)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970294283 733324204 /nfs/dbraw/zinc/32/42/04/733324204.db2.gz YUXJJEUYXZOVMO-GUYCJALGSA-N 1 1 340.427 0.973 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)C[C@H](C)OC)CC2)nc1 ZINC001098536552 733342735 /nfs/dbraw/zinc/34/27/35/733342735.db2.gz LPIHVQYVKXUJRX-HNNXBMFYSA-N 1 1 345.443 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1ccnc(C#N)n1 ZINC001104252978 733367458 /nfs/dbraw/zinc/36/74/58/733367458.db2.gz AVKZWVILINHBTO-KGLIPLIRSA-N 1 1 326.404 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1ccnc(C#N)n1 ZINC001104252978 733367460 /nfs/dbraw/zinc/36/74/60/733367460.db2.gz AVKZWVILINHBTO-KGLIPLIRSA-N 1 1 326.404 0.032 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2O)C1 ZINC000970394805 733461817 /nfs/dbraw/zinc/46/18/17/733461817.db2.gz GDCLGLCCUWVAHE-KFWWJZLASA-N 1 1 335.448 0.372 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCCC3)C2)c1 ZINC000970399257 733470741 /nfs/dbraw/zinc/47/07/41/733470741.db2.gz OMEVBBPKAKNZFA-AWEZNQCLSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]2O)C1 ZINC000970403497 733475838 /nfs/dbraw/zinc/47/58/38/733475838.db2.gz WBCFXFCYKDXAMC-PMPSAXMXSA-N 1 1 349.475 0.905 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCCC3)C2)nn1 ZINC000970543922 733660313 /nfs/dbraw/zinc/66/03/13/733660313.db2.gz DIQOAKAWFLWRHE-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC000970562856 733677733 /nfs/dbraw/zinc/67/77/33/733677733.db2.gz LSFKDBZDVUFHKN-QWHCGFSZSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC000970713843 733861417 /nfs/dbraw/zinc/86/14/17/733861417.db2.gz KVXGCCRJKMSVLE-OLZOCXBDSA-N 1 1 346.431 0.831 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970714800 733863629 /nfs/dbraw/zinc/86/36/29/733863629.db2.gz SZNODWKTCJUJJF-JSGCOSHPSA-N 1 1 344.415 0.585 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC000970766572 733924391 /nfs/dbraw/zinc/92/43/91/733924391.db2.gz MGUOSALIQPXRDN-CHWSQXEVSA-N 1 1 328.416 0.590 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3cnc(C)cn3)C2)CC1 ZINC000970792322 733943056 /nfs/dbraw/zinc/94/30/56/733943056.db2.gz JIKCRLZWLROTQS-QGZVFWFLSA-N 1 1 341.459 0.821 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cnccn3)C2)C1=O ZINC000970992607 734151973 /nfs/dbraw/zinc/15/19/73/734151973.db2.gz CBSXFODYSJBSNL-DZGCQCFKSA-N 1 1 329.404 0.410 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC000971020930 734187058 /nfs/dbraw/zinc/18/70/58/734187058.db2.gz PBEMFEIREXWDPF-JKSUJKDBSA-N 1 1 344.415 0.253 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CNc3ccc(C#N)nn3)CC2)C1 ZINC001067477268 734240807 /nfs/dbraw/zinc/24/08/07/734240807.db2.gz XPNWVMPDZLCABN-ZDUSSCGKSA-N 1 1 344.419 0.065 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cnn(C)c3C)C2)C1=O ZINC000971084068 734245117 /nfs/dbraw/zinc/24/51/17/734245117.db2.gz SCGMTLAPZBDYQH-HOCLYGCPSA-N 1 1 345.447 0.662 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104318695 734285266 /nfs/dbraw/zinc/28/52/66/734285266.db2.gz PVCMRMMBITYUPX-MRXNPFEDSA-N 1 1 340.387 0.480 20 30 ECEDMO CCC(CC)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001211503876 734301085 /nfs/dbraw/zinc/30/10/85/734301085.db2.gz JHIKRFHNSVXAAN-GDBMZVCRSA-N 1 1 337.464 0.625 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104327919 734343681 /nfs/dbraw/zinc/34/36/81/734343681.db2.gz CEVIUSSJAMUDIF-HNNXBMFYSA-N 1 1 331.420 0.616 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2ncccc2C#N)CCO1 ZINC001104328155 734344496 /nfs/dbraw/zinc/34/44/96/734344496.db2.gz GFXQLGWTHQOJIH-HNNXBMFYSA-N 1 1 331.420 0.616 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2ncccc2C#N)CCO1 ZINC001104328156 734344596 /nfs/dbraw/zinc/34/45/96/734344596.db2.gz GFXQLGWTHQOJIH-OAHLLOKOSA-N 1 1 331.420 0.616 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 ZINC001104329051 734348994 /nfs/dbraw/zinc/34/89/94/734348994.db2.gz UFJYAIOEVGXSPP-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC000971276729 734415912 /nfs/dbraw/zinc/41/59/12/734415912.db2.gz GZXQSVFZGCLGLE-UKRRQHHQSA-N 1 1 344.415 0.720 20 30 ECEDMO C[N@@H+](CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971290130 734423649 /nfs/dbraw/zinc/42/36/49/734423649.db2.gz XXWYXFAFSZHANB-ZDUSSCGKSA-N 1 1 343.387 0.182 20 30 ECEDMO Cn1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)cc1=O ZINC000971371391 734482072 /nfs/dbraw/zinc/48/20/72/734482072.db2.gz HVHZPKZCECHUOG-MRXNPFEDSA-N 1 1 339.399 0.932 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 ZINC001104349575 734521809 /nfs/dbraw/zinc/52/18/09/734521809.db2.gz ILCNBDPLSVHVII-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCCCOC)C[C@H]32)nn1 ZINC001114943361 734537363 /nfs/dbraw/zinc/53/73/63/734537363.db2.gz YKVOLDCEHWZSEG-FOLVSLTJSA-N 1 1 333.436 0.941 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451895 734610108 /nfs/dbraw/zinc/61/01/08/734610108.db2.gz MYUAOVFQWSNTIE-CABCVRRESA-N 1 1 328.372 0.699 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078174069 782426487 /nfs/dbraw/zinc/42/64/87/782426487.db2.gz AJKFLRGKWRXOMH-QJPTWQEYSA-N 1 1 332.242 0.008 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@@H+]2CC(N)=O)[nH]1 ZINC001025222888 738833799 /nfs/dbraw/zinc/83/37/99/738833799.db2.gz XOPFUBJSPYGMNR-CABCVRRESA-N 1 1 329.404 0.831 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CN=NC1=O ZINC001025224489 738835220 /nfs/dbraw/zinc/83/52/20/738835220.db2.gz RCNIBAPJQHZJEE-CABCVRRESA-N 1 1 331.420 0.853 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCC=C)C[C@@H]32)nn1 ZINC001083219785 734675059 /nfs/dbraw/zinc/67/50/59/734675059.db2.gz NSEBAUUHJZUBJG-JKSUJKDBSA-N 1 1 331.420 0.956 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971544691 734738226 /nfs/dbraw/zinc/73/82/26/734738226.db2.gz DKOLNDVCEIYBFS-CQSZACIVSA-N 1 1 343.366 0.417 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545152 734738740 /nfs/dbraw/zinc/73/87/40/734738740.db2.gz LICLZRHWHFOZJM-CQSZACIVSA-N 1 1 343.366 0.417 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545152 734738744 /nfs/dbraw/zinc/73/87/44/734738744.db2.gz LICLZRHWHFOZJM-CQSZACIVSA-N 1 1 343.366 0.417 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nc(CC)no2)C1 ZINC000971703615 734964825 /nfs/dbraw/zinc/96/48/25/734964825.db2.gz JHSXHTZMLBBEDU-GJZGRUSLSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nc(CC)no2)C1 ZINC000971703615 734964829 /nfs/dbraw/zinc/96/48/29/734964829.db2.gz JHSXHTZMLBBEDU-GJZGRUSLSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nnc(C)[nH]2)C1 ZINC000971704764 734966242 /nfs/dbraw/zinc/96/62/42/734966242.db2.gz WOVOWELJDADLBN-CABCVRRESA-N 1 1 330.436 0.243 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nnc(C)[nH]2)C1 ZINC000971704764 734966245 /nfs/dbraw/zinc/96/62/45/734966245.db2.gz WOVOWELJDADLBN-CABCVRRESA-N 1 1 330.436 0.243 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CCC(C)C)C1 ZINC001149168053 735084783 /nfs/dbraw/zinc/08/47/83/735084783.db2.gz NNHHAWQFBIEIAD-HNNXBMFYSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CCC(C)C)C1 ZINC001149168053 735084787 /nfs/dbraw/zinc/08/47/87/735084787.db2.gz NNHHAWQFBIEIAD-HNNXBMFYSA-N 1 1 325.453 0.932 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001078199601 782479123 /nfs/dbraw/zinc/47/91/23/782479123.db2.gz OUAAKBJMEVQWPX-IAGOWNOFSA-N 1 1 331.416 0.674 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 ZINC001098558722 735270739 /nfs/dbraw/zinc/27/07/39/735270739.db2.gz UQOURDQRSGPLKT-UHFFFAOYSA-N 1 1 343.427 0.852 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972079241 735620430 /nfs/dbraw/zinc/62/04/30/735620430.db2.gz MZVFSCDLTCZVQO-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972079241 735620434 /nfs/dbraw/zinc/62/04/34/735620434.db2.gz MZVFSCDLTCZVQO-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H]3CC)[C@H]2C1 ZINC001083241613 735643984 /nfs/dbraw/zinc/64/39/84/735643984.db2.gz QHEZWEKACIVIKU-OWCLPIDISA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H]3CC)[C@H]2C1 ZINC001083241613 735643989 /nfs/dbraw/zinc/64/39/89/735643989.db2.gz QHEZWEKACIVIKU-OWCLPIDISA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H]3CC)[C@H]2C1 ZINC001083241612 735644247 /nfs/dbraw/zinc/64/42/47/735644247.db2.gz QHEZWEKACIVIKU-HRCADAONSA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H]3CC)[C@H]2C1 ZINC001083241612 735644250 /nfs/dbraw/zinc/64/42/50/735644250.db2.gz QHEZWEKACIVIKU-HRCADAONSA-N 1 1 335.448 0.875 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)n1 ZINC000972116388 735663076 /nfs/dbraw/zinc/66/30/76/735663076.db2.gz PFNOLFHIFZQRNX-JTQLQIEISA-N 1 1 331.405 0.490 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972198435 735777594 /nfs/dbraw/zinc/77/75/94/735777594.db2.gz GXCLWOMNVDOFGF-ZFWWWQNUSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972198435 735777598 /nfs/dbraw/zinc/77/75/98/735777598.db2.gz GXCLWOMNVDOFGF-ZFWWWQNUSA-N 1 1 345.378 0.411 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)c1 ZINC000972292547 735900221 /nfs/dbraw/zinc/90/02/21/735900221.db2.gz SFIFSEVNWMJFQX-CVEARBPZSA-N 1 1 326.400 0.440 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@@H]2CCOC2)CCO3)c1 ZINC000972318795 735938494 /nfs/dbraw/zinc/93/84/94/735938494.db2.gz GUTDJJLPHYZCII-KSSFIOAISA-N 1 1 344.415 0.840 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)[C@H]2C1 ZINC001083247330 735988767 /nfs/dbraw/zinc/98/87/67/735988767.db2.gz LMHKZJWDEDSDAY-UHOFOFEASA-N 1 1 331.420 0.397 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(N(C)C)cn3)C2)C1 ZINC000972380139 736047811 /nfs/dbraw/zinc/04/78/11/736047811.db2.gz FMYHHXBKBCRPCH-SFHVURJKSA-N 1 1 343.431 0.483 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(N(C)C)cn3)C2)C1 ZINC000972380139 736047816 /nfs/dbraw/zinc/04/78/16/736047816.db2.gz FMYHHXBKBCRPCH-SFHVURJKSA-N 1 1 343.431 0.483 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(N(C)C)cn3)C2)C1 ZINC000972380138 736048102 /nfs/dbraw/zinc/04/81/02/736048102.db2.gz FMYHHXBKBCRPCH-GOSISDBHSA-N 1 1 343.431 0.483 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(N(C)C)cn3)C2)C1 ZINC000972380138 736048108 /nfs/dbraw/zinc/04/81/08/736048108.db2.gz FMYHHXBKBCRPCH-GOSISDBHSA-N 1 1 343.431 0.483 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccnn3C)C2)C1 ZINC000972386236 736055990 /nfs/dbraw/zinc/05/59/90/736055990.db2.gz ALOKIYHWJBQOQG-CRAIPNDOSA-N 1 1 330.432 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccnn3C)C2)C1 ZINC000972386236 736055994 /nfs/dbraw/zinc/05/59/94/736055994.db2.gz ALOKIYHWJBQOQG-CRAIPNDOSA-N 1 1 330.432 0.850 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC001098569468 736078471 /nfs/dbraw/zinc/07/84/71/736078471.db2.gz NSJCRKVNYGFEFO-UHFFFAOYSA-N 1 1 346.431 0.656 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 ZINC000972408003 736137755 /nfs/dbraw/zinc/13/77/55/736137755.db2.gz IGDPYXRHAMJXDZ-QAPCUYQASA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 ZINC000972408003 736137759 /nfs/dbraw/zinc/13/77/59/736137759.db2.gz IGDPYXRHAMJXDZ-QAPCUYQASA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972406198 736139798 /nfs/dbraw/zinc/13/97/98/736139798.db2.gz CUSCVUQZNWZMAG-QGZVFWFLSA-N 1 1 342.403 0.846 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972408911 736140395 /nfs/dbraw/zinc/14/03/95/736140395.db2.gz QDTXJRKQBFHWCH-RDTXWAMCSA-N 1 1 349.431 0.403 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972408911 736140399 /nfs/dbraw/zinc/14/03/99/736140399.db2.gz QDTXJRKQBFHWCH-RDTXWAMCSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)C1 ZINC000972440799 736200101 /nfs/dbraw/zinc/20/01/01/736200101.db2.gz LIBKHSWBEKBOKW-QFBILLFUSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)C1 ZINC000972440799 736200105 /nfs/dbraw/zinc/20/01/05/736200105.db2.gz LIBKHSWBEKBOKW-QFBILLFUSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(C)c3)C2)C1 ZINC000972448954 736225416 /nfs/dbraw/zinc/22/54/16/736225416.db2.gz DQHJFYRJECSRIY-GOSISDBHSA-N 1 1 329.400 0.326 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(C)c3)C2)C1 ZINC000972448954 736225417 /nfs/dbraw/zinc/22/54/17/736225417.db2.gz DQHJFYRJECSRIY-GOSISDBHSA-N 1 1 329.400 0.326 20 30 ECEDMO N#CCN1CCO[C@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC000972467089 736269952 /nfs/dbraw/zinc/26/99/52/736269952.db2.gz VVFSYRJPMRYHCH-GOSISDBHSA-N 1 1 343.431 0.589 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 ZINC000972480884 736308787 /nfs/dbraw/zinc/30/87/87/736308787.db2.gz VFPPYZXRMHVRMO-CRAIPNDOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 ZINC000972480884 736308788 /nfs/dbraw/zinc/30/87/88/736308788.db2.gz VFPPYZXRMHVRMO-CRAIPNDOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001023025235 736406020 /nfs/dbraw/zinc/40/60/20/736406020.db2.gz BCNDEWCQARRJER-WQVCFCJDSA-N 1 1 338.415 0.732 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513500 736509598 /nfs/dbraw/zinc/50/95/98/736509598.db2.gz HNRZOSNVEVMIEX-QZTJIDSGSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513500 736509602 /nfs/dbraw/zinc/50/96/02/736509602.db2.gz HNRZOSNVEVMIEX-QZTJIDSGSA-N 1 1 335.448 0.782 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CN(CC#N)CCO3)C1 ZINC000972516575 736525976 /nfs/dbraw/zinc/52/59/76/736525976.db2.gz APLDCRBXIIPTQM-AEFFLSMTSA-N 1 1 334.464 0.935 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)C3=COCCO3)C2)C1=O ZINC001023210076 736588276 /nfs/dbraw/zinc/58/82/76/736588276.db2.gz ACEMEYKANTZSHF-LSDHHAIUSA-N 1 1 349.431 0.490 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001023244197 736615905 /nfs/dbraw/zinc/61/59/05/736615905.db2.gz GCJKHFIYFDIBFS-ZFWWWQNUSA-N 1 1 331.420 0.638 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001023255017 736624652 /nfs/dbraw/zinc/62/46/52/736624652.db2.gz NGZLEMUNZOTMCO-GDBMZVCRSA-N 1 1 345.447 0.947 20 30 ECEDMO Cc1nc(CN2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n[nH]1 ZINC001023296632 736656063 /nfs/dbraw/zinc/65/60/63/736656063.db2.gz ZGYDPXKZHZBVFH-GFCCVEGCSA-N 1 1 327.392 0.955 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001023347167 736712914 /nfs/dbraw/zinc/71/29/14/736712914.db2.gz RPEQKRKMVODXHZ-CJNGLKHVSA-N 1 1 342.399 0.995 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1COC(=O)N1 ZINC001023343950 736714946 /nfs/dbraw/zinc/71/49/46/736714946.db2.gz CIYLEHIAJNIZQD-IAGOWNOFSA-N 1 1 341.411 0.975 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001023344318 736715568 /nfs/dbraw/zinc/71/55/68/736715568.db2.gz LVNUCDNCLSRVKM-HOTGVXAUSA-N 1 1 342.399 0.995 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972553720 736719694 /nfs/dbraw/zinc/71/96/94/736719694.db2.gz JCOKUHJLGHYCPX-KRWDZBQOSA-N 1 1 332.404 0.607 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972553720 736719701 /nfs/dbraw/zinc/71/97/01/736719701.db2.gz JCOKUHJLGHYCPX-KRWDZBQOSA-N 1 1 332.404 0.607 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001023362999 736741027 /nfs/dbraw/zinc/74/10/27/736741027.db2.gz YZWBEHGLNVOULQ-KBPBESRZSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC001023424172 736807602 /nfs/dbraw/zinc/80/76/02/736807602.db2.gz QFTOQPUHJVWSCI-WMZOPIPTSA-N 1 1 343.475 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cnsn2)C1 ZINC001023422696 736810408 /nfs/dbraw/zinc/81/04/08/736810408.db2.gz PAGSHHYDNBHMFG-HOCLYGCPSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cnsn2)C1 ZINC001023422696 736810410 /nfs/dbraw/zinc/81/04/10/736810410.db2.gz PAGSHHYDNBHMFG-HOCLYGCPSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001023444450 736841316 /nfs/dbraw/zinc/84/13/16/736841316.db2.gz MACWFLZTTQELNL-AWEZNQCLSA-N 1 1 338.473 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001023444634 736841894 /nfs/dbraw/zinc/84/18/94/736841894.db2.gz RNHUHFDCHVBKES-UPJWGTAASA-N 1 1 334.338 0.794 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001023445368 736842396 /nfs/dbraw/zinc/84/23/96/736842396.db2.gz NPDOIBHMGPMMGN-ZDUSSCGKSA-N 1 1 332.404 0.959 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC([N@H+](CCO)Cc2cnon2)CC1 ZINC001098577038 736857955 /nfs/dbraw/zinc/85/79/55/736857955.db2.gz BSYVOZBTDPXMCJ-ZDUSSCGKSA-N 1 1 338.408 0.446 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC([N@@H+](CCO)Cc2cnon2)CC1 ZINC001098577038 736857959 /nfs/dbraw/zinc/85/79/59/736857959.db2.gz BSYVOZBTDPXMCJ-ZDUSSCGKSA-N 1 1 338.408 0.446 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)NC)n3)[C@H]2C1 ZINC001083261382 736921094 /nfs/dbraw/zinc/92/10/94/736921094.db2.gz RMLWVKAPAYFKPR-LSDHHAIUSA-N 1 1 330.388 0.152 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)NC)n3)[C@H]2C1 ZINC001083261382 736921095 /nfs/dbraw/zinc/92/10/95/736921095.db2.gz RMLWVKAPAYFKPR-LSDHHAIUSA-N 1 1 330.388 0.152 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001023512197 736939208 /nfs/dbraw/zinc/93/92/08/736939208.db2.gz IKYTWVFMJSOAKK-CYBMUJFWSA-N 1 1 329.404 0.959 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3[nH]nnc3C)C2)C1=O ZINC001023524242 736959790 /nfs/dbraw/zinc/95/97/90/736959790.db2.gz ZMNKFAKLZSJUAK-ZIAGYGMSSA-N 1 1 346.435 0.342 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+]([C@H](C)COC)CCO3)nn1 ZINC000972585382 736970446 /nfs/dbraw/zinc/97/04/46/736970446.db2.gz LVTRDLQUAOQAQV-PBHICJAKSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+]([C@H](C)COC)CCO3)nn1 ZINC000972585382 736970448 /nfs/dbraw/zinc/97/04/48/736970448.db2.gz LVTRDLQUAOQAQV-PBHICJAKSA-N 1 1 349.435 0.416 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001023565611 737018647 /nfs/dbraw/zinc/01/86/47/737018647.db2.gz BKZDNKIJTRUTOC-CZUORRHYSA-N 1 1 341.415 0.568 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+](CCn3cncn3)C2)c1 ZINC001023583352 737040083 /nfs/dbraw/zinc/04/00/83/737040083.db2.gz FMSOHQJKSIWVKA-MRXNPFEDSA-N 1 1 338.415 0.796 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001023583365 737040126 /nfs/dbraw/zinc/04/01/26/737040126.db2.gz FRDPSFVHRUVKAL-RDJZCZTQSA-N 1 1 340.427 0.783 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001023638140 737125421 /nfs/dbraw/zinc/12/54/21/737125421.db2.gz YEBHXLDUTIALLQ-KBPBESRZSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001023650886 737141981 /nfs/dbraw/zinc/14/19/81/737141981.db2.gz DQAIFNFETOXDBN-CYBMUJFWSA-N 1 1 329.404 0.959 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972627776 737148358 /nfs/dbraw/zinc/14/83/58/737148358.db2.gz JYGXGXUPJIKOHW-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972627776 737148361 /nfs/dbraw/zinc/14/83/61/737148361.db2.gz JYGXGXUPJIKOHW-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972629429 737160089 /nfs/dbraw/zinc/16/00/89/737160089.db2.gz ZIFOWYDXJAVKNP-MOPGFXCFSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972629429 737160090 /nfs/dbraw/zinc/16/00/90/737160090.db2.gz ZIFOWYDXJAVKNP-MOPGFXCFSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972642233 737214258 /nfs/dbraw/zinc/21/42/58/737214258.db2.gz FKNMLKZYQORXGL-GOSISDBHSA-N 1 1 329.400 0.326 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972642233 737214260 /nfs/dbraw/zinc/21/42/60/737214260.db2.gz FKNMLKZYQORXGL-GOSISDBHSA-N 1 1 329.400 0.326 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC001023710807 737218938 /nfs/dbraw/zinc/21/89/38/737218938.db2.gz RJDPMYGKXFYURA-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)cn1 ZINC001023711265 737219802 /nfs/dbraw/zinc/21/98/02/737219802.db2.gz YHBCZAMNBOAIRP-AWEZNQCLSA-N 1 1 328.416 0.593 20 30 ECEDMO C#CC[NH+]1CCC2(CC1)CN(C(=O)CCc1nc[nH]n1)C[C@@H](C)O2 ZINC001098580587 737240630 /nfs/dbraw/zinc/24/06/30/737240630.db2.gz OPYSAUUPRVESDD-CQSZACIVSA-N 1 1 331.420 0.452 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972652742 737259113 /nfs/dbraw/zinc/25/91/13/737259113.db2.gz BCKQNOBPZHDOQN-IBGZPJMESA-N 1 1 328.412 0.506 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972652742 737259119 /nfs/dbraw/zinc/25/91/19/737259119.db2.gz BCKQNOBPZHDOQN-IBGZPJMESA-N 1 1 328.412 0.506 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738672 737271837 /nfs/dbraw/zinc/27/18/37/737271837.db2.gz HHBOOIPZIOCTGG-CYBMUJFWSA-N 1 1 331.420 0.984 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCCC[NH2+]Cc1nc(CC)no1 ZINC001167677857 737304272 /nfs/dbraw/zinc/30/42/72/737304272.db2.gz JCPZNDRFZZZVON-ZDUSSCGKSA-N 1 1 337.424 0.699 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972670216 737320599 /nfs/dbraw/zinc/32/05/99/737320599.db2.gz ZJJLAXNEKWFLDQ-QGZVFWFLSA-N 1 1 349.456 0.545 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972670216 737320602 /nfs/dbraw/zinc/32/06/02/737320602.db2.gz ZJJLAXNEKWFLDQ-QGZVFWFLSA-N 1 1 349.456 0.545 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000972694766 737406055 /nfs/dbraw/zinc/40/60/55/737406055.db2.gz AAUXYKQCRJSDDO-UONOGXRCSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972704405 737497109 /nfs/dbraw/zinc/49/71/09/737497109.db2.gz HYJMLEDZXKJTCZ-QGZVFWFLSA-N 1 1 333.436 0.627 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC000972704423 737503448 /nfs/dbraw/zinc/50/34/48/737503448.db2.gz IHUVPAYPXCRWBL-KDOFPFPSSA-N 1 1 349.431 0.309 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCCN(C)C3=O)C2)cn1 ZINC000972756480 737597612 /nfs/dbraw/zinc/59/76/12/737597612.db2.gz MPXSCYOFSOFVMW-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)cn1 ZINC000972756940 737598107 /nfs/dbraw/zinc/59/81/07/737598107.db2.gz QAXKDIRDHQGEAA-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972758714 737601350 /nfs/dbraw/zinc/60/13/50/737601350.db2.gz AJLJFRSAKKIJTG-HOTGVXAUSA-N 1 1 326.400 0.870 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972792621 737683361 /nfs/dbraw/zinc/68/33/61/737683361.db2.gz BZOCPHFSRJFAGX-MRXNPFEDSA-N 1 1 338.415 0.551 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972792621 737683365 /nfs/dbraw/zinc/68/33/65/737683365.db2.gz BZOCPHFSRJFAGX-MRXNPFEDSA-N 1 1 338.415 0.551 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cnn(C)c3)C(C)(C)C2)C1=O ZINC000972799678 737689680 /nfs/dbraw/zinc/68/96/80/737689680.db2.gz JFPGOFCSYPITJW-GJZGRUSLSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cnn(C)c3)C(C)(C)C2)C1=O ZINC000972799678 737689682 /nfs/dbraw/zinc/68/96/82/737689682.db2.gz JFPGOFCSYPITJW-GJZGRUSLSA-N 1 1 345.447 0.647 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)COC[C@H]2CCCO2)CC1 ZINC001098584340 737715222 /nfs/dbraw/zinc/71/52/22/737715222.db2.gz SZSNFOVDHBFUHN-QGZVFWFLSA-N 1 1 338.448 0.491 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001024394957 737938329 /nfs/dbraw/zinc/93/83/29/737938329.db2.gz ONJALEUHVVJNJP-GDBMZVCRSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001024394957 737938333 /nfs/dbraw/zinc/93/83/33/737938333.db2.gz ONJALEUHVVJNJP-GDBMZVCRSA-N 1 1 345.447 0.791 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCn1cncn1 ZINC001024487156 738014696 /nfs/dbraw/zinc/01/46/96/738014696.db2.gz NPYLSEBFAZTRDJ-SJORKVTESA-N 1 1 344.463 0.346 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039761095 738044849 /nfs/dbraw/zinc/04/48/49/738044849.db2.gz YSZTWCJPFCWTOI-KBXCAEBGSA-N 1 1 337.464 0.620 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001024530283 738065219 /nfs/dbraw/zinc/06/52/19/738065219.db2.gz DJVNNGXCGWTCNS-GFCCVEGCSA-N 1 1 339.417 0.535 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001024530283 738065224 /nfs/dbraw/zinc/06/52/24/738065224.db2.gz DJVNNGXCGWTCNS-GFCCVEGCSA-N 1 1 339.417 0.535 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]2CCC[N@H+](CC(N)=O)[C@@H]21 ZINC001087278847 738075515 /nfs/dbraw/zinc/07/55/15/738075515.db2.gz NNDTZOSEDZIYAS-YUELXQCFSA-N 1 1 329.404 0.590 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]2CCC[N@@H+](CC(N)=O)[C@@H]21 ZINC001087278847 738075518 /nfs/dbraw/zinc/07/55/18/738075518.db2.gz NNDTZOSEDZIYAS-YUELXQCFSA-N 1 1 329.404 0.590 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC001087282080 738100386 /nfs/dbraw/zinc/10/03/86/738100386.db2.gz RBYLZPBQSPSVBM-UHOFOFEASA-N 1 1 343.431 0.851 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cc(=O)n(C)cn3)C(C)(C)[C@H]21 ZINC001087291045 738131964 /nfs/dbraw/zinc/13/19/64/738131964.db2.gz NGRQLOVVMUVIKE-KCXAZCMYSA-N 1 1 328.416 0.632 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@@H]21 ZINC001087298771 738159918 /nfs/dbraw/zinc/15/99/18/738159918.db2.gz KRZWTQYKQIRSHU-ZTFGCOKTSA-N 1 1 348.491 0.600 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)n1 ZINC001024607662 738161164 /nfs/dbraw/zinc/16/11/64/738161164.db2.gz GHKNHAYQUFDJSL-OAHLLOKOSA-N 1 1 339.403 0.866 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(C#N)c2)n1 ZINC001024607662 738161165 /nfs/dbraw/zinc/16/11/65/738161165.db2.gz GHKNHAYQUFDJSL-OAHLLOKOSA-N 1 1 339.403 0.866 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001024628523 738185594 /nfs/dbraw/zinc/18/55/94/738185594.db2.gz RYLVDZVPGZATBY-HOTGVXAUSA-N 1 1 341.415 0.710 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N(C)C)nc1 ZINC001024763208 738274944 /nfs/dbraw/zinc/27/49/44/738274944.db2.gz CVYJBAWTWSQPFO-HNNXBMFYSA-N 1 1 328.416 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N(C)C)nc1 ZINC001024763208 738274945 /nfs/dbraw/zinc/27/49/45/738274945.db2.gz CVYJBAWTWSQPFO-HNNXBMFYSA-N 1 1 328.416 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N2CCC2)nc1 ZINC001024764115 738276225 /nfs/dbraw/zinc/27/62/25/738276225.db2.gz MZSRLURYAGOGMM-MRXNPFEDSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N2CCC2)nc1 ZINC001024764115 738276227 /nfs/dbraw/zinc/27/62/27/738276227.db2.gz MZSRLURYAGOGMM-MRXNPFEDSA-N 1 1 340.427 0.880 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001024805360 738310745 /nfs/dbraw/zinc/31/07/45/738310745.db2.gz ABFJVTITYBIVJO-KBPBESRZSA-N 1 1 329.466 0.615 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025243120 738918637 /nfs/dbraw/zinc/91/86/37/738918637.db2.gz AFWZFJPCLWNLGD-HOTGVXAUSA-N 1 1 345.447 0.451 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025243122 738918723 /nfs/dbraw/zinc/91/87/23/738918723.db2.gz AFWZFJPCLWNLGD-JKSUJKDBSA-N 1 1 345.447 0.451 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 ZINC001025246332 738920677 /nfs/dbraw/zinc/92/06/77/738920677.db2.gz VTIBSBRVHXXZST-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2cncc(C#N)n2)C1 ZINC001104578738 739001825 /nfs/dbraw/zinc/00/18/25/739001825.db2.gz CSTDMLBQVVATRX-OCCSQVGLSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2cncc(C#N)n2)C1 ZINC001104578738 739001830 /nfs/dbraw/zinc/00/18/30/739001830.db2.gz CSTDMLBQVVATRX-OCCSQVGLSA-N 1 1 332.408 0.328 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1nc(C)n(C)c1=O ZINC001025298683 739019614 /nfs/dbraw/zinc/01/96/14/739019614.db2.gz YTVSBMLNIAXLRK-HOTGVXAUSA-N 1 1 345.447 0.369 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](C[C@H](O)Cn2cccn2)CC1 ZINC000981989450 751421946 /nfs/dbraw/zinc/42/19/46/751421946.db2.gz DLDHHGFPIPINOH-BBWFWOEESA-N 1 1 348.447 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000973410332 739223124 /nfs/dbraw/zinc/22/31/24/739223124.db2.gz CDBXAEGJTGMFTI-IHRRRGAJSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000973410332 739223128 /nfs/dbraw/zinc/22/31/28/739223128.db2.gz CDBXAEGJTGMFTI-IHRRRGAJSA-N 1 1 329.404 0.193 20 30 ECEDMO C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104623368 739257400 /nfs/dbraw/zinc/25/74/00/739257400.db2.gz ZQWGUVKEQOSUKE-CQSZACIVSA-N 1 1 331.420 0.934 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)NC)nn1 ZINC001028191979 751429864 /nfs/dbraw/zinc/42/98/64/751429864.db2.gz DZDMLCZFRCOZTD-OLZOCXBDSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)NC)nn1 ZINC001028191979 751429868 /nfs/dbraw/zinc/42/98/68/751429868.db2.gz DZDMLCZFRCOZTD-OLZOCXBDSA-N 1 1 334.424 0.183 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001112011417 739349304 /nfs/dbraw/zinc/34/93/04/739349304.db2.gz NWYAVCWUKYPDAQ-YCPHGPKFSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccn3nnnc23)C1 ZINC001025427041 739487060 /nfs/dbraw/zinc/48/70/60/739487060.db2.gz BRHAGNWLZXWXEB-UONOGXRCSA-N 1 1 326.404 0.978 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000973550055 739513516 /nfs/dbraw/zinc/51/35/16/739513516.db2.gz ZFCSMUJMVUYDEJ-QCODTGAPSA-N 1 1 335.448 0.825 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001025493390 739659734 /nfs/dbraw/zinc/65/97/34/739659734.db2.gz NNUAHWBALBCDML-KBPBESRZSA-N 1 1 339.403 0.521 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@H]2O)C1 ZINC001025549026 739705004 /nfs/dbraw/zinc/70/50/04/739705004.db2.gz WBCFXFCYKDXAMC-BZUAXINKSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2O)C1 ZINC001025545621 739706466 /nfs/dbraw/zinc/70/64/66/739706466.db2.gz JANPDONFNBQVKE-BZUAXINKSA-N 1 1 349.475 0.905 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001025556206 739714696 /nfs/dbraw/zinc/71/46/96/739714696.db2.gz SUWXPNYQSFYMPN-KGLIPLIRSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001025556208 739714903 /nfs/dbraw/zinc/71/49/03/739714903.db2.gz SUWXPNYQSFYMPN-ZIAGYGMSSA-N 1 1 348.451 0.383 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001025630057 739795661 /nfs/dbraw/zinc/79/56/61/739795661.db2.gz OMEYLQXYOCABBJ-QWHCGFSZSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCOC2)C1=O ZINC001025705869 739884850 /nfs/dbraw/zinc/88/48/50/739884850.db2.gz FEMVXNAOBKNXLQ-OWYFMNJBSA-N 1 1 333.432 0.246 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCOC2)C1=O ZINC001025716692 739890857 /nfs/dbraw/zinc/89/08/57/739890857.db2.gz XHBHXCREPBBURA-KDEOKCCVSA-N 1 1 333.432 0.246 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCN3C(C)=O)[C@H]2C1 ZINC001083286641 740165527 /nfs/dbraw/zinc/16/55/27/740165527.db2.gz VGWUSCNIUZYIRT-IXDOHACOSA-N 1 1 335.448 0.875 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC000982067851 751532463 /nfs/dbraw/zinc/53/24/63/751532463.db2.gz PQBMTSIBEDLFKP-UHFFFAOYSA-N 1 1 339.399 0.996 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2OCC[C@H]2C)C1=O ZINC001026054224 740340779 /nfs/dbraw/zinc/34/07/79/740340779.db2.gz WVLUZDTYTWIONN-LGFJLYTPSA-N 1 1 333.432 0.245 20 30 ECEDMO CN(C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cnc(C#N)cn1 ZINC001058691012 740486707 /nfs/dbraw/zinc/48/67/07/740486707.db2.gz ZXMPSDNDJVNZHI-HUUCEWRRSA-N 1 1 342.447 0.975 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104794974 740519167 /nfs/dbraw/zinc/51/91/67/740519167.db2.gz OUJATVDBLQCDGN-ZFWWWQNUSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104794974 740519169 /nfs/dbraw/zinc/51/91/69/740519169.db2.gz OUJATVDBLQCDGN-ZFWWWQNUSA-N 1 1 346.435 0.716 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)Cn2ncn3nccc3c2=O)CC1 ZINC000982069701 751560239 /nfs/dbraw/zinc/56/02/39/751560239.db2.gz DHAVYLUHZTWBMX-UHFFFAOYSA-N 1 1 344.419 0.392 20 30 ECEDMO C=C(C)C[N@H+]1CCCN(C(=O)Cn2ncn3nccc3c2=O)CC1 ZINC000982070277 751560312 /nfs/dbraw/zinc/56/03/12/751560312.db2.gz MSZWPOLMGYFRCJ-UHFFFAOYSA-N 1 1 330.392 0.001 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000973953238 740664076 /nfs/dbraw/zinc/66/40/76/740664076.db2.gz AFNJJJLUQAKXBN-GUTXKFCHSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000973953238 740664080 /nfs/dbraw/zinc/66/40/80/740664080.db2.gz AFNJJJLUQAKXBN-GUTXKFCHSA-N 1 1 329.404 0.193 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000973995671 740748016 /nfs/dbraw/zinc/74/80/16/740748016.db2.gz YIDUJSJEECPKAJ-BNOWGMLFSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cncc(C#N)n1 ZINC001104862713 740750135 /nfs/dbraw/zinc/75/01/35/740750135.db2.gz PTYZLMCWSVVGQP-ZFWWWQNUSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cncc(C#N)n1 ZINC001104862713 740750137 /nfs/dbraw/zinc/75/01/37/740750137.db2.gz PTYZLMCWSVVGQP-ZFWWWQNUSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)C1 ZINC000982092484 751578113 /nfs/dbraw/zinc/57/81/13/751578113.db2.gz IYAVNXKWGBUZDU-HNNXBMFYSA-N 1 1 343.431 0.486 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2ccoc2)C1 ZINC000974056846 740855351 /nfs/dbraw/zinc/85/53/51/740855351.db2.gz MZIJLBWNXCAOTB-XHSDSOJGSA-N 1 1 329.400 0.683 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2ccoc2)C1 ZINC000974056846 740855355 /nfs/dbraw/zinc/85/53/55/740855355.db2.gz MZIJLBWNXCAOTB-XHSDSOJGSA-N 1 1 329.400 0.683 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@H]1C(F)(F)F ZINC001112062410 740895670 /nfs/dbraw/zinc/89/56/70/740895670.db2.gz LAPAEJNKPRJRLB-IJLUTSLNSA-N 1 1 349.353 0.140 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1ncnn1CC ZINC001038365047 740955911 /nfs/dbraw/zinc/95/59/11/740955911.db2.gz AQPFNXNPQGJQCT-CABCVRRESA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1ncnn1CC ZINC001038365047 740955913 /nfs/dbraw/zinc/95/59/13/740955913.db2.gz AQPFNXNPQGJQCT-CABCVRRESA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnoc2CC)C1 ZINC000974138671 740997638 /nfs/dbraw/zinc/99/76/38/740997638.db2.gz LUVQFZXFUMWLRV-GUTXKFCHSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnoc2CC)C1 ZINC000974138671 740997640 /nfs/dbraw/zinc/99/76/40/740997640.db2.gz LUVQFZXFUMWLRV-GUTXKFCHSA-N 1 1 344.415 0.712 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)nc1 ZINC001059856989 751602917 /nfs/dbraw/zinc/60/29/17/751602917.db2.gz HRVTVJWWJDRJLX-FZKCQIBNSA-N 1 1 341.415 0.876 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H](CNc1ccnc(C#N)n1)CC(C)C ZINC001104974453 741073356 /nfs/dbraw/zinc/07/33/56/741073356.db2.gz PWMHQOIKMBAUAQ-CQSZACIVSA-N 1 1 341.419 0.918 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)CC2)nn1 ZINC000982114264 751607587 /nfs/dbraw/zinc/60/75/87/751607587.db2.gz YZWVBBQYHRKZLC-OAHLLOKOSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[N@H+]([C@@H]3CCCN(C)C3=O)CC2)nn1 ZINC000982114264 751607589 /nfs/dbraw/zinc/60/75/89/751607589.db2.gz YZWVBBQYHRKZLC-OAHLLOKOSA-N 1 1 346.435 0.233 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CC(N)=O)C2)cn1 ZINC001087406247 741158723 /nfs/dbraw/zinc/15/87/23/741158723.db2.gz WDTVSJPSKUJMKR-HJWJTTGWSA-N 1 1 338.411 0.331 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000974294387 741262028 /nfs/dbraw/zinc/26/20/28/741262028.db2.gz KSJXDSQKFXMSSJ-BBWFWOEESA-N 1 1 340.427 0.924 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC000982144008 751641345 /nfs/dbraw/zinc/64/13/45/751641345.db2.gz RPBZDXQGCDNYPI-UHFFFAOYSA-N 1 1 348.447 0.771 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001105215712 741487356 /nfs/dbraw/zinc/48/73/56/741487356.db2.gz GBLDLNYETQSRRV-UHFFFAOYSA-N 1 1 325.376 0.841 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnc(C)o2)CC1 ZINC001026509029 741496054 /nfs/dbraw/zinc/49/60/54/741496054.db2.gz WUSXJDZJDSXYQA-GPANFISMSA-N 1 1 345.447 0.993 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)nn1 ZINC001105243095 741544007 /nfs/dbraw/zinc/54/40/07/741544007.db2.gz UYKFLPAPDYSWMH-HOTGVXAUSA-N 1 1 333.436 0.998 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)nn1 ZINC001105256668 741571617 /nfs/dbraw/zinc/57/16/17/741571617.db2.gz MXTTUCVQBQMZDP-OAHLLOKOSA-N 1 1 344.463 0.362 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)nn1 ZINC001105256703 741571782 /nfs/dbraw/zinc/57/17/82/741571782.db2.gz NWLXSAUJDBKYKR-QGZVFWFLSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256703 741571784 /nfs/dbraw/zinc/57/17/84/741571784.db2.gz NWLXSAUJDBKYKR-QGZVFWFLSA-N 1 1 344.463 0.649 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)c(C)cc3=O)C2)nn1 ZINC001105264290 741598921 /nfs/dbraw/zinc/59/89/21/741598921.db2.gz DEXDAGAFYMHSSK-UHFFFAOYSA-N 1 1 342.403 0.258 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCC(NC(=O)CN3CCCC3)CC2)C1=O ZINC001026606537 741607073 /nfs/dbraw/zinc/60/70/73/741607073.db2.gz HRNDECSIJASBCG-JCYILVPMSA-N 1 1 348.491 0.886 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc(F)cc3F)C2)nn1 ZINC001105271140 741616345 /nfs/dbraw/zinc/61/63/45/741616345.db2.gz XWHUZDBQXMPJML-UHFFFAOYSA-N 1 1 334.330 0.924 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(N(C)C)nc3)C2)nn1 ZINC001105275718 741622431 /nfs/dbraw/zinc/62/24/31/741622431.db2.gz ZBWYJIMOSFPDPZ-UHFFFAOYSA-N 1 1 341.419 0.712 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cc(C)nn3C)C2)nn1 ZINC001105280782 741636687 /nfs/dbraw/zinc/63/66/87/741636687.db2.gz CVYLSOZVBDGFDV-UHFFFAOYSA-N 1 1 329.408 0.222 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H](CNc1ccnc(C#N)n1)C(C)(C)C ZINC001125934807 741638647 /nfs/dbraw/zinc/63/86/47/741638647.db2.gz XBSKFDTVILYWMA-CYBMUJFWSA-N 1 1 341.419 0.918 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3occ4c3CCOC4)C2)nn1 ZINC001105289881 741650711 /nfs/dbraw/zinc/65/07/11/741650711.db2.gz KLHHZXQLYVWKAR-UHFFFAOYSA-N 1 1 343.387 0.917 20 30 ECEDMO COc1ccc(CN2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1C#N ZINC001030154122 761885673 /nfs/dbraw/zinc/88/56/73/761885673.db2.gz FWXVJZDMPARUGA-MRXNPFEDSA-N 1 1 328.416 0.961 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC000982153982 751660784 /nfs/dbraw/zinc/66/07/84/751660784.db2.gz NEIPHHPTTRSQTP-CYBMUJFWSA-N 1 1 327.450 0.179 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312469 741729552 /nfs/dbraw/zinc/72/95/52/741729552.db2.gz NSBLKYFVOCBDMN-KBPBESRZSA-N 1 1 332.452 0.667 20 30 ECEDMO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974472446 741778136 /nfs/dbraw/zinc/77/81/36/741778136.db2.gz MSIXTPYDAMSMLF-UONOGXRCSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974472446 741778140 /nfs/dbraw/zinc/77/81/40/741778140.db2.gz MSIXTPYDAMSMLF-UONOGXRCSA-N 1 1 329.404 0.557 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974473992 741781281 /nfs/dbraw/zinc/78/12/81/741781281.db2.gz WLHCPMCXLMTRID-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974473992 741781285 /nfs/dbraw/zinc/78/12/85/741781285.db2.gz WLHCPMCXLMTRID-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CCOCC3)[C@@H](O)C2)cc1 ZINC001083303805 741894182 /nfs/dbraw/zinc/89/41/82/741894182.db2.gz RQOKULLANSMKDN-SJORKVTESA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3CCOCC3)[C@@H](O)C2)cc1 ZINC001083303805 741894188 /nfs/dbraw/zinc/89/41/88/741894188.db2.gz RQOKULLANSMKDN-SJORKVTESA-N 1 1 329.400 0.646 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974578622 741910935 /nfs/dbraw/zinc/91/09/35/741910935.db2.gz RBKFPMMDMRPCRJ-JSGCOSHPSA-N 1 1 329.404 0.222 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000974638086 741959730 /nfs/dbraw/zinc/95/97/30/741959730.db2.gz DKOSELGCLBGVDR-CYBMUJFWSA-N 1 1 329.466 0.425 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974645283 741964917 /nfs/dbraw/zinc/96/49/17/741964917.db2.gz SBEBVEVURJGNQI-CABCVRRESA-N 1 1 335.448 0.331 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001058738220 741973562 /nfs/dbraw/zinc/97/35/62/741973562.db2.gz UYLPNBQFYOIBPC-OWCLPIDISA-N 1 1 340.431 0.931 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C(C)(C)C1 ZINC000974688065 742006479 /nfs/dbraw/zinc/00/64/79/742006479.db2.gz HBTLLYLBFKRDRJ-HOTGVXAUSA-N 1 1 325.412 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(CC)CC1 ZINC001058739663 742020482 /nfs/dbraw/zinc/02/04/82/742020482.db2.gz QYFUDBDJDQRKQK-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(CC)CC1 ZINC001058739663 742020485 /nfs/dbraw/zinc/02/04/85/742020485.db2.gz QYFUDBDJDQRKQK-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cnn(C)c3)C2)C1=O ZINC001006697492 751692326 /nfs/dbraw/zinc/69/23/26/751692326.db2.gz INQAHQSBAVYLGM-GJZGRUSLSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnn(C)c3)C2)C1=O ZINC001006697492 751692330 /nfs/dbraw/zinc/69/23/30/751692330.db2.gz INQAHQSBAVYLGM-GJZGRUSLSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974847944 742241274 /nfs/dbraw/zinc/24/12/74/742241274.db2.gz ZUAUFDWQJXSPNR-CYBMUJFWSA-N 1 1 329.466 0.425 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000974874513 742278738 /nfs/dbraw/zinc/27/87/38/742278738.db2.gz OFVDKOOLPOWONJ-UONOGXRCSA-N 1 1 343.418 0.802 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(C4CC4)n3)C2)nn1 ZINC001105336318 742361025 /nfs/dbraw/zinc/36/10/25/742361025.db2.gz CMSKATNDKQRHQB-UHFFFAOYSA-N 1 1 339.403 0.918 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000975067911 742470751 /nfs/dbraw/zinc/47/07/51/742470751.db2.gz ZVUIBCKTVQUTKK-UONOGXRCSA-N 1 1 330.436 0.476 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@]2(C)C1 ZINC000982233154 751737675 /nfs/dbraw/zinc/73/76/75/751737675.db2.gz JQYVCJMHTPLGBV-DSIZOQBWSA-N 1 1 332.448 0.984 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000975194696 742587820 /nfs/dbraw/zinc/58/78/20/742587820.db2.gz RZCRHERZWJNTPC-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1 ZINC000982250075 751762005 /nfs/dbraw/zinc/76/20/05/751762005.db2.gz IULATQFYXXUMSC-OLMNPRSZSA-N 1 1 343.431 0.934 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnnn3CC)C2)nc1 ZINC001028935977 742917028 /nfs/dbraw/zinc/91/70/28/742917028.db2.gz OFOSCDRDQXTWNO-HNNXBMFYSA-N 1 1 338.415 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnnn3CC)C2)nc1 ZINC001028935977 742917034 /nfs/dbraw/zinc/91/70/34/742917034.db2.gz OFOSCDRDQXTWNO-HNNXBMFYSA-N 1 1 338.415 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)nc1 ZINC001028935942 742917159 /nfs/dbraw/zinc/91/71/59/742917159.db2.gz NNRVJYCAEKWWHU-ZBFHGGJFSA-N 1 1 326.400 0.393 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001028939303 742931901 /nfs/dbraw/zinc/93/19/01/742931901.db2.gz KJTPODAAVUOGNW-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)nc1 ZINC001028939720 742936781 /nfs/dbraw/zinc/93/67/81/742936781.db2.gz QVJCJBGIJNMYTF-MRXNPFEDSA-N 1 1 340.427 0.737 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001006756211 751776650 /nfs/dbraw/zinc/77/66/50/751776650.db2.gz DFHZHDLQOLJTLZ-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001006756211 751776657 /nfs/dbraw/zinc/77/66/57/751776657.db2.gz DFHZHDLQOLJTLZ-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001028941120 742939617 /nfs/dbraw/zinc/93/96/17/742939617.db2.gz SDKXIGMKUOWZHT-BBRMVZONSA-N 1 1 326.400 0.393 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001028962799 743003372 /nfs/dbraw/zinc/00/33/72/743003372.db2.gz BUZSYFQRNHGPAF-KGLIPLIRSA-N 1 1 329.828 0.424 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001028962799 743003380 /nfs/dbraw/zinc/00/33/80/743003380.db2.gz BUZSYFQRNHGPAF-KGLIPLIRSA-N 1 1 329.828 0.424 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000988288971 751789145 /nfs/dbraw/zinc/78/91/45/751789145.db2.gz VTOXXUFDIBAHCG-STQMWFEESA-N 1 1 347.419 0.816 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nc2ccc(F)cc2o1 ZINC001125999081 743182704 /nfs/dbraw/zinc/18/27/04/743182704.db2.gz XGPOXFUYVUBOFK-UHFFFAOYSA-N 1 1 332.335 0.312 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([NH2+]Cc3csnn3)CC2)nn1 ZINC000997073515 743199062 /nfs/dbraw/zinc/19/90/62/743199062.db2.gz GUNUPQRXSQEDJI-UHFFFAOYSA-N 1 1 333.421 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3nonc3C)CC2)C1=O ZINC000983454984 743200434 /nfs/dbraw/zinc/20/04/34/743200434.db2.gz WWBZNGNJHZDYPV-HNNXBMFYSA-N 1 1 347.419 0.242 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3nonc3C)CC2)C1=O ZINC000983454984 743200441 /nfs/dbraw/zinc/20/04/41/743200441.db2.gz WWBZNGNJHZDYPV-HNNXBMFYSA-N 1 1 347.419 0.242 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)nc1 ZINC000997092749 743224973 /nfs/dbraw/zinc/22/49/73/743224973.db2.gz JLSXBXUVXSIOEO-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001027234029 743245909 /nfs/dbraw/zinc/24/59/09/743245909.db2.gz OJCRHEGXLPQKLJ-NVXWUHKLSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC000975854309 743355692 /nfs/dbraw/zinc/35/56/92/743355692.db2.gz XVJIXFAPWGCFMH-ZBFHGGJFSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC000975854309 743355697 /nfs/dbraw/zinc/35/56/97/743355697.db2.gz XVJIXFAPWGCFMH-ZBFHGGJFSA-N 1 1 343.431 0.618 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CCOCC)nn2)C1 ZINC001105380860 743421916 /nfs/dbraw/zinc/42/19/16/743421916.db2.gz IKYBHNYODYEXRK-ZDUSSCGKSA-N 1 1 337.424 0.379 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC(NCc3ncccn3)CC2)CC1 ZINC000997363457 743535275 /nfs/dbraw/zinc/53/52/75/743535275.db2.gz GGIIIVNGOHPALL-UHFFFAOYSA-N 1 1 341.459 0.902 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001059170494 743542092 /nfs/dbraw/zinc/54/20/92/743542092.db2.gz BFHFSALBJGELQZ-OBJOEFQTSA-N 1 1 330.392 0.046 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001059170494 743542103 /nfs/dbraw/zinc/54/21/03/743542103.db2.gz BFHFSALBJGELQZ-OBJOEFQTSA-N 1 1 330.392 0.046 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cnc(N(C)C)cn3)C[C@@]2(C)C1 ZINC000982279709 751853419 /nfs/dbraw/zinc/85/34/19/751853419.db2.gz DSRVCEBVVIKWBA-HDICACEKSA-N 1 1 327.432 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]c1 ZINC000976319874 743812162 /nfs/dbraw/zinc/81/21/62/743812162.db2.gz LXACDHTXLWKKJZ-OAGGEKHMSA-N 1 1 343.431 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]c1 ZINC000976319874 743812166 /nfs/dbraw/zinc/81/21/66/743812166.db2.gz LXACDHTXLWKKJZ-OAGGEKHMSA-N 1 1 343.431 0.665 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976363945 743858362 /nfs/dbraw/zinc/85/83/62/743858362.db2.gz VQRMLEJXPDMISN-HVOFVXBASA-N 1 1 341.415 0.557 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000976408659 743919064 /nfs/dbraw/zinc/91/90/64/743919064.db2.gz OOERGRWTCAJZJR-BSLXNSKLSA-N 1 1 327.388 0.025 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccn(C)n3)[C@H]2C)C1=O ZINC001088561465 751875879 /nfs/dbraw/zinc/87/58/79/751875879.db2.gz SWWQWIICRPDGDK-KBMXLJTQSA-N 1 1 345.447 0.329 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccn(C)n3)[C@H]2C)C1=O ZINC001088561465 751875890 /nfs/dbraw/zinc/87/58/90/751875890.db2.gz SWWQWIICRPDGDK-KBMXLJTQSA-N 1 1 345.447 0.329 20 30 ECEDMO C#Cc1cncc(C(=O)N(CC)[C@@H]2CCC[N@H+](CC(N)=O)CC2)c1 ZINC000998117594 743987084 /nfs/dbraw/zinc/98/70/84/743987084.db2.gz SCSYCSHWGSWIPH-MRXNPFEDSA-N 1 1 328.416 0.865 20 30 ECEDMO C#Cc1cncc(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC(N)=O)CC2)c1 ZINC000998117594 743987085 /nfs/dbraw/zinc/98/70/85/743987085.db2.gz SCSYCSHWGSWIPH-MRXNPFEDSA-N 1 1 328.416 0.865 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000998134006 743998050 /nfs/dbraw/zinc/99/80/50/743998050.db2.gz HWZDYPNTGQSCJQ-KBPBESRZSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cn(C)cn3)C2)C1=O ZINC001027366594 744001463 /nfs/dbraw/zinc/00/14/63/744001463.db2.gz PBYBFXABWIHKSW-HOCLYGCPSA-N 1 1 345.447 0.743 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1 ZINC000976537390 744042581 /nfs/dbraw/zinc/04/25/81/744042581.db2.gz SMUWAKFNRWRDMJ-MUYACECFSA-N 1 1 327.388 0.025 20 30 ECEDMO C[N@H+]([C@@H]1CCC(=O)NC1=O)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027375961 744055231 /nfs/dbraw/zinc/05/52/31/744055231.db2.gz ZZFOLZPAUHPZCW-UONOGXRCSA-N 1 1 343.387 0.228 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000976604000 744128548 /nfs/dbraw/zinc/12/85/48/744128548.db2.gz GOYSENHWMRXXLS-LCEIHVTHSA-N 1 1 349.475 0.882 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000976604000 744128551 /nfs/dbraw/zinc/12/85/51/744128551.db2.gz GOYSENHWMRXXLS-LCEIHVTHSA-N 1 1 349.475 0.882 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001020604655 751890982 /nfs/dbraw/zinc/89/09/82/751890982.db2.gz IZZASBGJWQPOFB-LPWJVIDDSA-N 1 1 335.408 0.464 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976692678 744207869 /nfs/dbraw/zinc/20/78/69/744207869.db2.gz WLCGGOJEGUQHNV-AIANPOQGSA-N 1 1 342.443 0.812 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CCO1 ZINC001027408773 744226262 /nfs/dbraw/zinc/22/62/62/744226262.db2.gz XRLLFINSLOKLEV-DOTOQJQBSA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CCO1 ZINC001027408773 744226266 /nfs/dbraw/zinc/22/62/66/744226266.db2.gz XRLLFINSLOKLEV-DOTOQJQBSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000976695817 744240868 /nfs/dbraw/zinc/24/08/68/744240868.db2.gz PYLPMPIPLRRDAP-WTTBNOFXSA-N 1 1 342.443 0.955 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC34CCC4)C[C@H]21 ZINC000976733637 744257771 /nfs/dbraw/zinc/25/77/71/744257771.db2.gz APBPOHFSLGOOMA-ALYAQQCSSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC34CCC4)C[C@H]21 ZINC000976733637 744257774 /nfs/dbraw/zinc/25/77/74/744257774.db2.gz APBPOHFSLGOOMA-ALYAQQCSSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cscn3)C[C@H]21 ZINC000976741149 744276670 /nfs/dbraw/zinc/27/66/70/744276670.db2.gz OYFIZFUQJDQNJY-MYZSUADSSA-N 1 1 344.440 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cscn3)C[C@H]21 ZINC000976741149 744276674 /nfs/dbraw/zinc/27/66/74/744276674.db2.gz OYFIZFUQJDQNJY-MYZSUADSSA-N 1 1 344.440 0.427 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC000998754816 744315882 /nfs/dbraw/zinc/31/58/82/744315882.db2.gz PTQYKKTVJJXGIL-OLZOCXBDSA-N 1 1 347.423 0.265 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3CCF)C2)c1 ZINC000998850322 744370874 /nfs/dbraw/zinc/37/08/74/744370874.db2.gz SAWOIQXEDVJHOF-ZDUSSCGKSA-N 1 1 345.382 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnnc2)[C@H]1C ZINC001020626773 751914276 /nfs/dbraw/zinc/91/42/76/751914276.db2.gz LJTPMJVBQRBCJD-BPUTZDHNSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnnc2)[C@H]1C ZINC001020626773 751914283 /nfs/dbraw/zinc/91/42/83/751914283.db2.gz LJTPMJVBQRBCJD-BPUTZDHNSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccnc2OC)C1 ZINC000999010177 744463974 /nfs/dbraw/zinc/46/39/74/744463974.db2.gz TZGAMJWFBVYJJC-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccnc2OC)C1 ZINC000999010177 744463977 /nfs/dbraw/zinc/46/39/77/744463977.db2.gz TZGAMJWFBVYJJC-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@H]32)nc1 ZINC000976914343 744474343 /nfs/dbraw/zinc/47/43/43/744474343.db2.gz DZGZYOCACFJYEV-HWWDLCQESA-N 1 1 349.394 0.455 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@H]32)cn1 ZINC000976911888 744487976 /nfs/dbraw/zinc/48/79/76/744487976.db2.gz MKJIMUORBIWJFD-VQFNDLOPSA-N 1 1 349.394 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2ncccn2)C1 ZINC001027446909 744488132 /nfs/dbraw/zinc/48/81/32/744488132.db2.gz XGCPSGJBWBBMEV-SJORKVTESA-N 1 1 341.459 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2ncccn2)C1 ZINC001027446909 744488135 /nfs/dbraw/zinc/48/81/35/744488135.db2.gz XGCPSGJBWBBMEV-SJORKVTESA-N 1 1 341.459 0.997 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cn4c(n3)COCC4)C[C@@]2(C)C1 ZINC000982305965 751925049 /nfs/dbraw/zinc/92/50/49/751925049.db2.gz BOPFMOKCMGTVKU-HDICACEKSA-N 1 1 328.416 0.831 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+][C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000999127715 744524482 /nfs/dbraw/zinc/52/44/82/744524482.db2.gz JCVFKUZDEDVKKZ-AWEZNQCLSA-N 1 1 330.436 0.922 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC000999320883 744625647 /nfs/dbraw/zinc/62/56/47/744625647.db2.gz ZAVCYRTXEGRAHO-QGZVFWFLSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC000999320882 744625929 /nfs/dbraw/zinc/62/59/29/744625929.db2.gz ZAVCYRTXEGRAHO-KRWDZBQOSA-N 1 1 340.427 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1=O ZINC001027475788 744710988 /nfs/dbraw/zinc/71/09/88/744710988.db2.gz ZOPZZFIGBCLXKZ-OCCSQVGLSA-N 1 1 332.408 0.128 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C(C)(C)C1 ZINC000977271630 744827385 /nfs/dbraw/zinc/82/73/85/744827385.db2.gz HGRUBEMFLLRKGC-VIFPVBQESA-N 1 1 329.326 0.907 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C(C)(C)C1 ZINC000977271630 744827388 /nfs/dbraw/zinc/82/73/88/744827388.db2.gz HGRUBEMFLLRKGC-VIFPVBQESA-N 1 1 329.326 0.907 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CC(=O)NC)CC1(C)C ZINC000977273780 744828662 /nfs/dbraw/zinc/82/86/62/744828662.db2.gz PKEXLJVMXIDYLK-DZKIICNBSA-N 1 1 337.464 0.930 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[N@H+](CC(=O)NC)CC1(C)C ZINC000977273780 744828665 /nfs/dbraw/zinc/82/86/65/744828665.db2.gz PKEXLJVMXIDYLK-DZKIICNBSA-N 1 1 337.464 0.930 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3nc(C)c[nH]3)C(C)(C)C2)C1=O ZINC000977287256 744843423 /nfs/dbraw/zinc/84/34/23/744843423.db2.gz BQOLPBONPRPGDX-UONOGXRCSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3nc(C)c[nH]3)C(C)(C)C2)C1=O ZINC000977287256 744843425 /nfs/dbraw/zinc/84/34/25/744843425.db2.gz BQOLPBONPRPGDX-UONOGXRCSA-N 1 1 345.447 0.945 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C(C)(C)C1 ZINC000977321824 744866292 /nfs/dbraw/zinc/86/62/92/744866292.db2.gz SYIDCLPWBAJGDH-ZDUSSCGKSA-N 1 1 327.388 0.404 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001027506008 744866965 /nfs/dbraw/zinc/86/69/65/744866965.db2.gz VPYLHPVXNGCOLE-HIFRSBDPSA-N 1 1 331.420 0.864 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1C ZINC001088565259 751955106 /nfs/dbraw/zinc/95/51/06/751955106.db2.gz JDDWGEHKWMONRV-IPYPFGDCSA-N 1 1 331.420 0.918 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)C(C)(C)C1 ZINC000977380026 744915319 /nfs/dbraw/zinc/91/53/19/744915319.db2.gz RSHGEPQSMRZWSH-OAHLLOKOSA-N 1 1 330.432 0.710 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H](C)Cc2cnc[nH]2)C1=O ZINC001167979777 744977430 /nfs/dbraw/zinc/97/74/30/744977430.db2.gz XDBFYNLCKDJLLY-ZFWWWQNUSA-N 1 1 333.436 0.471 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000977444610 744998052 /nfs/dbraw/zinc/99/80/52/744998052.db2.gz GHNXWXYDIPUETR-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn[nH]c3)nn2)C1 ZINC000999953213 745090437 /nfs/dbraw/zinc/09/04/37/745090437.db2.gz AGMDUWKQROBORJ-CYBMUJFWSA-N 1 1 335.799 0.931 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cn[nH]c3)nn2)C1 ZINC000999953213 745090445 /nfs/dbraw/zinc/09/04/45/745090445.db2.gz AGMDUWKQROBORJ-CYBMUJFWSA-N 1 1 335.799 0.931 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC000999959467 745100869 /nfs/dbraw/zinc/10/08/69/745100869.db2.gz FXHBHQDKNKWVFF-CQSZACIVSA-N 1 1 327.392 0.821 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)n[nH]3)nn2)C1 ZINC000999960171 745101107 /nfs/dbraw/zinc/10/11/07/745101107.db2.gz CJXYFNDMUQRPNM-AWEZNQCLSA-N 1 1 327.392 0.510 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cscn3)nn2)C1 ZINC000999963560 745106749 /nfs/dbraw/zinc/10/67/49/745106749.db2.gz SDKUOQUZWHBFGB-CYBMUJFWSA-N 1 1 330.417 0.935 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3C)nn2)C1 ZINC000999964603 745109534 /nfs/dbraw/zinc/10/95/34/745109534.db2.gz CMBDLWIQMBVPGI-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCc2cn([C@H]3CC[N@@H+](CCF)C3)nn2)c1 ZINC000999976852 745125676 /nfs/dbraw/zinc/12/56/76/745125676.db2.gz XPCWIODDWDCRAY-ZDUSSCGKSA-N 1 1 331.355 0.624 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCc2cn([C@H]3CC[N@H+](CCF)C3)nn2)c1 ZINC000999976852 745125678 /nfs/dbraw/zinc/12/56/78/745125678.db2.gz XPCWIODDWDCRAY-ZDUSSCGKSA-N 1 1 331.355 0.624 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncccc3O)nn2)C1 ZINC000999982424 745133761 /nfs/dbraw/zinc/13/37/61/745133761.db2.gz ZMOYDIXOWBXHCR-AWEZNQCLSA-N 1 1 340.387 0.579 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ncccc3O)nn2)C1 ZINC000999982424 745133764 /nfs/dbraw/zinc/13/37/64/745133764.db2.gz ZMOYDIXOWBXHCR-AWEZNQCLSA-N 1 1 340.387 0.579 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn4c(n3)CCC4)nn2)C1 ZINC000999988699 745144976 /nfs/dbraw/zinc/14/49/76/745144976.db2.gz XLBVWOYKFJWMIJ-CQSZACIVSA-N 1 1 339.403 0.231 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000977528125 745148062 /nfs/dbraw/zinc/14/80/62/745148062.db2.gz UZNCCUBSKOYFES-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000977528125 745148065 /nfs/dbraw/zinc/14/80/65/745148065.db2.gz UZNCCUBSKOYFES-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3CC)nn2)C1 ZINC000999992751 745150505 /nfs/dbraw/zinc/15/05/05/745150505.db2.gz PYJCSVIDXOYRST-OIISXLGYSA-N 1 1 345.447 0.980 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(C)c(=O)c3)nn2)C1 ZINC000999997027 745156621 /nfs/dbraw/zinc/15/66/21/745156621.db2.gz LEGOUUSUANJQRS-OAHLLOKOSA-N 1 1 342.403 0.340 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999998116 745158604 /nfs/dbraw/zinc/15/86/04/745158604.db2.gz QWPHVVHFZNCWGI-HOTGVXAUSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999998116 745158608 /nfs/dbraw/zinc/15/86/08/745158608.db2.gz QWPHVVHFZNCWGI-HOTGVXAUSA-N 1 1 332.452 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncc(F)cc3F)nn2)C1 ZINC000999998485 745159337 /nfs/dbraw/zinc/15/93/37/745159337.db2.gz SNNLSOOYZYYRSL-ZDUSSCGKSA-N 1 1 346.341 0.761 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCNC(=O)CC3)nn2)C1 ZINC000999998926 745160015 /nfs/dbraw/zinc/16/00/15/745160015.db2.gz ACNSEEYINHFVCD-HIFRSBDPSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3csnn3)nn2)C1 ZINC001000000625 745162511 /nfs/dbraw/zinc/16/25/11/745162511.db2.gz KMTVBIXCRJKMSP-LBPRGKRZSA-N 1 1 333.421 0.883 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncc(OC)cn3)nn2)C1 ZINC001000002841 745166656 /nfs/dbraw/zinc/16/66/56/745166656.db2.gz MYGVMNLLCVYGAX-ZDUSSCGKSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]nc3C)nn2)C1 ZINC001000015168 745184479 /nfs/dbraw/zinc/18/44/79/745184479.db2.gz NBNRPXXFYRGUIW-CQSZACIVSA-N 1 1 327.392 0.510 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001000028880 745202691 /nfs/dbraw/zinc/20/26/91/745202691.db2.gz MDSJYFLPZJYZPX-AWEZNQCLSA-N 1 1 327.392 0.821 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cn([C@@H]3CC[N@H+](CC)C3)nn2)nn1 ZINC001000030815 745204929 /nfs/dbraw/zinc/20/49/29/745204929.db2.gz LQTBDIRLCNOGKV-CYBMUJFWSA-N 1 1 330.396 0.252 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3coc(COC)n3)nn2)C1 ZINC001000035774 745211652 /nfs/dbraw/zinc/21/16/52/745211652.db2.gz MFJNZIWLHCVGSM-CYBMUJFWSA-N 1 1 346.391 0.775 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(CC)cn3)nn2)C1 ZINC001000035606 745212181 /nfs/dbraw/zinc/21/21/81/745212181.db2.gz PAWADDMRPYHOPN-OAHLLOKOSA-N 1 1 341.419 0.695 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000977590025 745219948 /nfs/dbraw/zinc/21/99/48/745219948.db2.gz YGZSIPFKKNHEEN-GFCCVEGCSA-N 1 1 336.436 0.720 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC000977596572 745234574 /nfs/dbraw/zinc/23/45/74/745234574.db2.gz FNXPPKSWPZTKLK-AWEZNQCLSA-N 1 1 340.387 0.764 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccn(C)n3)C(C)(C)C2)C1=O ZINC000977583270 745241530 /nfs/dbraw/zinc/24/15/30/745241530.db2.gz CJABEWYFYILITD-HUUCEWRRSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccn(C)n3)C(C)(C)C2)C1=O ZINC000977583270 745241536 /nfs/dbraw/zinc/24/15/36/745241536.db2.gz CJABEWYFYILITD-HUUCEWRRSA-N 1 1 345.447 0.647 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNc1cc(C)ncc1C#N ZINC001111494849 745243998 /nfs/dbraw/zinc/24/39/98/745243998.db2.gz MEAGWEDTHZMUEW-UHFFFAOYSA-N 1 1 347.463 0.648 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001059230115 745271567 /nfs/dbraw/zinc/27/15/67/745271567.db2.gz DSGYFJRABURWQK-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001059230115 745271571 /nfs/dbraw/zinc/27/15/71/745271571.db2.gz DSGYFJRABURWQK-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C(C)(C)C1 ZINC000977629433 745285237 /nfs/dbraw/zinc/28/52/37/745285237.db2.gz OQGXUWLRNLJBPB-IAGOWNOFSA-N 1 1 333.476 0.947 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C(C)(C)C1 ZINC000977635183 745295780 /nfs/dbraw/zinc/29/57/80/745295780.db2.gz ZFUXRXFJARQRML-GJZGRUSLSA-N 1 1 329.448 0.999 20 30 ECEDMO C=CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)nn1 ZINC001098698706 745367949 /nfs/dbraw/zinc/36/79/49/745367949.db2.gz XKFAOAQURYFOQW-CYBMUJFWSA-N 1 1 330.396 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccn(C(C)C)n2)C1 ZINC001000256144 745389109 /nfs/dbraw/zinc/38/91/09/745389109.db2.gz XPTUAMGGRIUFRB-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccn(C(C)C)n2)C1 ZINC001000256144 745389114 /nfs/dbraw/zinc/38/91/14/745389114.db2.gz XPTUAMGGRIUFRB-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@]2(C)C1 ZINC000982344465 752005151 /nfs/dbraw/zinc/00/51/51/752005151.db2.gz GMAUOMYZDTUJAV-HDICACEKSA-N 1 1 344.415 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C)n(C)n1 ZINC001075790554 745474223 /nfs/dbraw/zinc/47/42/23/745474223.db2.gz CJWIWTZBKYOMIJ-BBRMVZONSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(C)n(C)n1 ZINC001075790554 745474225 /nfs/dbraw/zinc/47/42/25/745474225.db2.gz CJWIWTZBKYOMIJ-BBRMVZONSA-N 1 1 345.447 0.451 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001000427164 745490966 /nfs/dbraw/zinc/49/09/66/745490966.db2.gz MBTKSLRWPDOUGO-BPUTZDHNSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001000429121 745493126 /nfs/dbraw/zinc/49/31/26/745493126.db2.gz ZCMNPVCEFULAIV-BPUTZDHNSA-N 1 1 333.436 0.877 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cc1 ZINC001083414433 745543140 /nfs/dbraw/zinc/54/31/40/745543140.db2.gz CKHWOFZENFFSJS-SJORKVTESA-N 1 1 340.383 0.870 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cc1 ZINC001083414433 745543143 /nfs/dbraw/zinc/54/31/43/745543143.db2.gz CKHWOFZENFFSJS-SJORKVTESA-N 1 1 340.383 0.870 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)c1 ZINC001027568596 745595772 /nfs/dbraw/zinc/59/57/72/745595772.db2.gz NSUYJCLMPMNPPF-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@H+](CC(=O)NC3CC3)CC2)c[nH]1 ZINC001000587923 745620465 /nfs/dbraw/zinc/62/04/65/745620465.db2.gz OLUMNFSEPMWVIE-UHFFFAOYSA-N 1 1 327.388 0.527 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@@H+](CC(=O)NC3CC3)CC2)c[nH]1 ZINC001000587923 745620468 /nfs/dbraw/zinc/62/04/68/745620468.db2.gz OLUMNFSEPMWVIE-UHFFFAOYSA-N 1 1 327.388 0.527 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC001000594466 745623909 /nfs/dbraw/zinc/62/39/09/745623909.db2.gz PSANYLZZUOMWHK-MRXNPFEDSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cnsn1 ZINC000977930297 745686903 /nfs/dbraw/zinc/68/69/03/745686903.db2.gz SGLFNTYDLYWFIE-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cnsn1 ZINC000977930297 745686905 /nfs/dbraw/zinc/68/69/05/745686905.db2.gz SGLFNTYDLYWFIE-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982352372 752026689 /nfs/dbraw/zinc/02/66/89/752026689.db2.gz JGAHMLDWJJPMKA-KDURUIRLSA-N 1 1 345.443 0.719 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nncn1C ZINC001029342353 745758243 /nfs/dbraw/zinc/75/82/43/745758243.db2.gz KQKJELBCYKJHQA-XHSDSOJGSA-N 1 1 342.447 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nncn1C ZINC001029342353 745758248 /nfs/dbraw/zinc/75/82/48/745758248.db2.gz KQKJELBCYKJHQA-XHSDSOJGSA-N 1 1 342.447 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nnc(C)o2)CC1 ZINC001000791448 745768480 /nfs/dbraw/zinc/76/84/80/745768480.db2.gz NSMSOTDMIHVNFN-INIZCTEOSA-N 1 1 343.431 0.724 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nnc(C)o2)CC1 ZINC001000791448 745768486 /nfs/dbraw/zinc/76/84/86/745768486.db2.gz NSMSOTDMIHVNFN-INIZCTEOSA-N 1 1 343.431 0.724 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000984097908 745818681 /nfs/dbraw/zinc/81/86/81/745818681.db2.gz XWVZSPWSPZCMNQ-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(Br)CN1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007004047 752041485 /nfs/dbraw/zinc/04/14/85/752041485.db2.gz UDKXWMMCSCYRBU-OLZOCXBDSA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(Br)CN1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007004047 752041492 /nfs/dbraw/zinc/04/14/92/752041492.db2.gz UDKXWMMCSCYRBU-OLZOCXBDSA-N 1 1 346.269 0.806 20 30 ECEDMO NC(=O)CC(=O)N1CC[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C1 ZINC001041986219 782550905 /nfs/dbraw/zinc/55/09/05/782550905.db2.gz OPMTTZZVIFIHEG-DOTOQJQBSA-N 1 1 343.402 0.975 20 30 ECEDMO COCC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001105394504 745940875 /nfs/dbraw/zinc/94/08/75/745940875.db2.gz YWKFVRVRRSXHQZ-OAHLLOKOSA-N 1 1 333.432 0.215 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC000978132103 745973418 /nfs/dbraw/zinc/97/34/18/745973418.db2.gz PWEJSUGOXFXOSA-NGFQHRJXSA-N 1 1 329.404 0.243 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ccnnc3)C2)C1=O ZINC001027592980 746003964 /nfs/dbraw/zinc/00/39/64/746003964.db2.gz YSPIXVSBFATUJE-HZPDHXFCSA-N 1 1 343.431 0.800 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001059337493 746007412 /nfs/dbraw/zinc/00/74/12/746007412.db2.gz JIYHHLWXEARFRK-HNNXBMFYSA-N 1 1 334.420 0.749 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)[C@@H]2C1 ZINC000978187612 746010115 /nfs/dbraw/zinc/01/01/15/746010115.db2.gz KIPGKQCBELNYRS-TVFCKZIOSA-N 1 1 343.471 0.952 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C(F)(F)F)n(C)n3)[C@@H]2C1 ZINC000978205335 746038383 /nfs/dbraw/zinc/03/83/83/746038383.db2.gz PFJACXJNTWGZJM-RTCCRHLQSA-N 1 1 326.322 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccns4)[C@@H]3C2)C1=O ZINC000978211604 746046191 /nfs/dbraw/zinc/04/61/91/746046191.db2.gz FIJHLJMNNPYGJI-YIYPIFLZSA-N 1 1 346.456 0.838 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000984225685 746084969 /nfs/dbraw/zinc/08/49/69/746084969.db2.gz RIGFFPCHFFFRIW-CABCVRRESA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001027600530 746089110 /nfs/dbraw/zinc/08/91/10/746089110.db2.gz GKIBBDUGBCLUQL-ZDUSSCGKSA-N 1 1 334.420 0.197 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC000978244575 746102589 /nfs/dbraw/zinc/10/25/89/746102589.db2.gz LKRBHHVIPJQLMG-YHUYYLMFSA-N 1 1 335.448 0.351 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnc(C)s2)C1 ZINC001001140561 746108325 /nfs/dbraw/zinc/10/83/25/746108325.db2.gz GXGAUADZIXBSNK-AWEZNQCLSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnc(C)s2)C1 ZINC001001140561 746108327 /nfs/dbraw/zinc/10/83/27/746108327.db2.gz GXGAUADZIXBSNK-AWEZNQCLSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4c3oc(=O)n4C)[C@@H]2C1 ZINC000978254878 746124468 /nfs/dbraw/zinc/12/44/68/746124468.db2.gz JRUPGVFUABGWLZ-ZSOGYDGISA-N 1 1 325.368 0.672 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)[nH]c4ncn(C)c43)[C@@H]2C1 ZINC000978277203 746137380 /nfs/dbraw/zinc/13/73/80/746137380.db2.gz VRIPANTXWZANNJ-XYYAHUGASA-N 1 1 327.388 0.768 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3c3ncccn3)[C@@H]2C1 ZINC000978285465 746149629 /nfs/dbraw/zinc/14/96/29/746149629.db2.gz VELNBUSRFOQBIZ-LVQVYYBASA-N 1 1 327.432 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001007062941 752065952 /nfs/dbraw/zinc/06/59/52/752065952.db2.gz JLVSUKZDCJUGOU-GOEBONIOSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC001007062941 752065955 /nfs/dbraw/zinc/06/59/55/752065955.db2.gz JLVSUKZDCJUGOU-GOEBONIOSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001007062941 752065958 /nfs/dbraw/zinc/06/59/58/752065958.db2.gz JLVSUKZDCJUGOU-GOEBONIOSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)C1=O ZINC001007062941 752065962 /nfs/dbraw/zinc/06/59/62/752065962.db2.gz JLVSUKZDCJUGOU-GOEBONIOSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)c4ccccc43)[C@@H]2C1 ZINC000978296369 746167077 /nfs/dbraw/zinc/16/70/77/746167077.db2.gz GPZYYNSPHRIHNC-VQHPVUNQSA-N 1 1 325.412 0.994 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001001225097 746182422 /nfs/dbraw/zinc/18/24/22/746182422.db2.gz CQYKWVASCIULRU-JYJNAYRXSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001001231561 746190340 /nfs/dbraw/zinc/19/03/40/746190340.db2.gz WYKTVFCLJLCEQZ-OAGGEKHMSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ncoc2CC)C1 ZINC001001259424 746219557 /nfs/dbraw/zinc/21/95/57/746219557.db2.gz LPXGMJBQHKPYEP-AWEZNQCLSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ncoc2CC)C1 ZINC001001259424 746219565 /nfs/dbraw/zinc/21/95/65/746219565.db2.gz LPXGMJBQHKPYEP-AWEZNQCLSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4ccccn4c3=O)[C@@H]2C1 ZINC000978372230 746257790 /nfs/dbraw/zinc/25/77/90/746257790.db2.gz UQDHXYBWSICECN-MKZZRHPPSA-N 1 1 336.395 0.625 20 30 ECEDMO Cn1cc(C[NH+]2CCC(CNC(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC001001330943 746283049 /nfs/dbraw/zinc/28/30/49/746283049.db2.gz PHWRDXCSFHWKFK-UHFFFAOYSA-N 1 1 327.392 0.657 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ccncn3)C2)C1=O ZINC001027620390 746305401 /nfs/dbraw/zinc/30/54/01/746305401.db2.gz FILFAOPTXJHWHK-ZBFHGGJFSA-N 1 1 343.431 0.800 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC001001379913 746326286 /nfs/dbraw/zinc/32/62/86/746326286.db2.gz XWBNAXMWDDMTML-UHFFFAOYSA-N 1 1 337.379 0.955 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC000984349853 746331024 /nfs/dbraw/zinc/33/10/24/746331024.db2.gz JDEORVYHTMKQIE-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC000984349853 746331029 /nfs/dbraw/zinc/33/10/29/746331029.db2.gz JDEORVYHTMKQIE-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1CC ZINC001087802474 746363316 /nfs/dbraw/zinc/36/33/16/746363316.db2.gz SIRUONVAFQZWSK-UONOGXRCSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1CC ZINC001087802474 746363320 /nfs/dbraw/zinc/36/33/20/746363320.db2.gz SIRUONVAFQZWSK-UONOGXRCSA-N 1 1 330.388 0.162 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3CC3CCC3)[C@@H]2C1 ZINC000978527714 746406707 /nfs/dbraw/zinc/40/67/07/746406707.db2.gz RFCAAAAXKUFNLU-ZJPYXAASSA-N 1 1 333.476 0.967 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nnc(C)n3C2)CC1 ZINC001001468739 746410035 /nfs/dbraw/zinc/41/00/35/746410035.db2.gz VUGJBOMZELKOIB-INIZCTEOSA-N 1 1 327.432 0.921 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2nnc(C)[nH]2)CC1 ZINC001001491399 746429188 /nfs/dbraw/zinc/42/91/88/746429188.db2.gz JHVJBQLVYWACHO-INIZCTEOSA-N 1 1 344.463 0.539 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2nnc(C)[nH]2)CC1 ZINC001001491399 746429190 /nfs/dbraw/zinc/42/91/90/746429190.db2.gz JHVJBQLVYWACHO-INIZCTEOSA-N 1 1 344.463 0.539 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001515780 746453757 /nfs/dbraw/zinc/45/37/57/746453757.db2.gz QTJJZKNWVAHGII-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1CC ZINC001087840612 746469598 /nfs/dbraw/zinc/46/95/98/746469598.db2.gz FWDCUBQIMBVFQS-DZGCQCFKSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1cc(F)ncn1 ZINC001126555166 746506141 /nfs/dbraw/zinc/50/61/41/746506141.db2.gz DBKIRGIOKXRDBH-AWEZNQCLSA-N 1 1 349.410 0.282 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1cc(F)ncn1 ZINC001126555166 746506146 /nfs/dbraw/zinc/50/61/46/746506146.db2.gz DBKIRGIOKXRDBH-AWEZNQCLSA-N 1 1 349.410 0.282 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101358944 746521183 /nfs/dbraw/zinc/52/11/83/746521183.db2.gz ZRWUCBQSOJBDLA-JCGVRSQUSA-N 1 1 348.447 0.706 20 30 ECEDMO COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)n1 ZINC001087909465 746640198 /nfs/dbraw/zinc/64/01/98/746640198.db2.gz MJCGORFCGGSKMA-MJBXVCDLSA-N 1 1 329.404 0.925 20 30 ECEDMO COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)n1 ZINC001087909465 746640200 /nfs/dbraw/zinc/64/02/00/746640200.db2.gz MJCGORFCGGSKMA-MJBXVCDLSA-N 1 1 329.404 0.925 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978736263 746651435 /nfs/dbraw/zinc/65/14/35/746651435.db2.gz UUEZWWRYXUOODH-UNIGVISCSA-N 1 1 343.431 0.709 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087938649 746688616 /nfs/dbraw/zinc/68/86/16/746688616.db2.gz FAWQMTCWFVXMOB-OLZOCXBDSA-N 1 1 339.403 0.609 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087938649 746688620 /nfs/dbraw/zinc/68/86/20/746688620.db2.gz FAWQMTCWFVXMOB-OLZOCXBDSA-N 1 1 339.403 0.609 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940056 746693951 /nfs/dbraw/zinc/69/39/51/746693951.db2.gz LWXJRJOAVSWNDF-GUTXKFCHSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@H]32)nn1 ZINC000978811195 746732305 /nfs/dbraw/zinc/73/23/05/746732305.db2.gz AUROTIBYAYWSJC-QKDCVEJESA-N 1 1 341.419 0.305 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@H]32)nn1 ZINC000978811195 746732308 /nfs/dbraw/zinc/73/23/08/746732308.db2.gz AUROTIBYAYWSJC-QKDCVEJESA-N 1 1 341.419 0.305 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027673800 746740580 /nfs/dbraw/zinc/74/05/80/746740580.db2.gz MQVJMEDIYPTGSY-LLVKDONJSA-N 1 1 328.800 0.214 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027673800 746740585 /nfs/dbraw/zinc/74/05/85/746740585.db2.gz MQVJMEDIYPTGSY-LLVKDONJSA-N 1 1 328.800 0.214 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3ncn(C)c3=O)C[C@@]2(C)C1 ZINC000982403878 752119605 /nfs/dbraw/zinc/11/96/05/752119605.db2.gz ZMSYSUJOSAPDCA-HDICACEKSA-N 1 1 345.447 0.166 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC000978824203 746751990 /nfs/dbraw/zinc/75/19/90/746751990.db2.gz AGNMVDMQISKJKN-VIQHNZTISA-N 1 1 345.447 0.590 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC000978824203 746751993 /nfs/dbraw/zinc/75/19/93/746751993.db2.gz AGNMVDMQISKJKN-VIQHNZTISA-N 1 1 345.447 0.590 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@@H]2C1 ZINC001087963007 746756060 /nfs/dbraw/zinc/75/60/60/746756060.db2.gz VIBQLTFBSOKWNY-CABCVRRESA-N 1 1 333.436 0.895 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)C[C@@H]2C1 ZINC001087984738 746825861 /nfs/dbraw/zinc/82/58/61/746825861.db2.gz OOOJJSHJQWQJPB-ZACQAIPSSA-N 1 1 331.460 0.904 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nnc[nH]4)[C@@H]3C2)cc1F ZINC000978875880 746841572 /nfs/dbraw/zinc/84/15/72/746841572.db2.gz FFNCVGGHJODHCD-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)cc1F ZINC000978875880 746841574 /nfs/dbraw/zinc/84/15/74/746841574.db2.gz FFNCVGGHJODHCD-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)cc1F ZINC000978875880 746841583 /nfs/dbraw/zinc/84/15/83/746841583.db2.gz FFNCVGGHJODHCD-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)cc1F ZINC000978875880 746841591 /nfs/dbraw/zinc/84/15/91/746841591.db2.gz FFNCVGGHJODHCD-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)cc1F ZINC000978875880 746841599 /nfs/dbraw/zinc/84/15/99/746841599.db2.gz FFNCVGGHJODHCD-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nnc[nH]4)[C@@H]3C2)c1 ZINC000978879506 746847224 /nfs/dbraw/zinc/84/72/24/746847224.db2.gz PAAXDZPIAUOKGN-ZSOGYDGISA-N 1 1 340.362 0.923 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCNC1=O ZINC001029480963 746895885 /nfs/dbraw/zinc/89/58/85/746895885.db2.gz SXBINUCEHBBOLJ-LEOABGAYSA-N 1 1 333.432 0.531 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(C)C1=O ZINC001029481936 746902741 /nfs/dbraw/zinc/90/27/41/746902741.db2.gz MIEBBYWFTFYDCU-LEOABGAYSA-N 1 1 333.432 0.483 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nocc4C)[C@@H]3C2)C1=O ZINC000978948400 746937647 /nfs/dbraw/zinc/93/76/47/746937647.db2.gz BJXMBTYUSBMIFU-APIJFGDWSA-N 1 1 344.415 0.678 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c([nH]c3=O)CCOC4)[C@@H]2C1 ZINC000978962971 746961965 /nfs/dbraw/zinc/96/19/65/746961965.db2.gz PZXCLYNHFSOHLN-PHZGNYQRSA-N 1 1 341.411 0.791 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4n3CCOC4)C[C@@H]2C1 ZINC001088001074 746995280 /nfs/dbraw/zinc/99/52/80/746995280.db2.gz SFOJDJUFUISRLI-CABCVRRESA-N 1 1 328.416 0.831 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007155192 752135966 /nfs/dbraw/zinc/13/59/66/752135966.db2.gz JWZCDDUKKAZQCP-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007155192 752135972 /nfs/dbraw/zinc/13/59/72/752135972.db2.gz JWZCDDUKKAZQCP-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C[C@@H]2C1 ZINC001088019014 747074207 /nfs/dbraw/zinc/07/42/07/747074207.db2.gz SWZVLKPVDFQJAQ-KFWWJZLASA-N 1 1 343.431 0.350 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C[C@H]3CCc4ncnn43)C2)c[nH]1 ZINC001007164849 752147446 /nfs/dbraw/zinc/14/74/46/752147446.db2.gz POHIVPKYXIPJOF-UKRRQHHQSA-N 1 1 339.403 0.860 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001002241697 747118285 /nfs/dbraw/zinc/11/82/85/747118285.db2.gz BAPRKDITOOIZJZ-CXAGYDPISA-N 1 1 340.427 0.591 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1NC(=O)CSCC#N ZINC001211888575 747122836 /nfs/dbraw/zinc/12/28/36/747122836.db2.gz CXJDJHBNTGTQLR-BFHYXJOUSA-N 1 1 327.450 0.628 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000979079197 747131313 /nfs/dbraw/zinc/13/13/13/747131313.db2.gz AVRSLRMYLIGAKM-UNEWFSDZSA-N 1 1 340.427 0.639 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3-n3cnnn3)[C@@H]2C1 ZINC000979079925 747133373 /nfs/dbraw/zinc/13/33/73/747133373.db2.gz DFJJLMNTJNSYBA-PHZGNYQRSA-N 1 1 336.399 0.593 20 30 ECEDMO CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046281 747141326 /nfs/dbraw/zinc/14/13/26/747141326.db2.gz NGIIBGRMOPREAW-QGRXYFRJSA-N 1 1 343.471 0.653 20 30 ECEDMO CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046281 747141328 /nfs/dbraw/zinc/14/13/28/747141328.db2.gz NGIIBGRMOPREAW-QGRXYFRJSA-N 1 1 343.471 0.653 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nc(C)nn4C3)C[C@@H]2C1 ZINC001088050022 747146111 /nfs/dbraw/zinc/14/61/11/747146111.db2.gz LJGHNNQOIKOWGT-IKGGRYGDSA-N 1 1 341.459 0.953 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001002290336 747176161 /nfs/dbraw/zinc/17/61/61/747176161.db2.gz KDHZISNRUCWGRQ-QAPCUYQASA-N 1 1 337.464 0.884 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001002290336 747176164 /nfs/dbraw/zinc/17/61/64/747176164.db2.gz KDHZISNRUCWGRQ-QAPCUYQASA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)nn1 ZINC001029506256 747196410 /nfs/dbraw/zinc/19/64/10/747196410.db2.gz HOOGUDLHYLHBLB-GUTXKFCHSA-N 1 1 344.419 0.032 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnc(C)cn2)C1=O ZINC001027733232 747204888 /nfs/dbraw/zinc/20/48/88/747204888.db2.gz WZYRCSTYJPVADZ-GDBMZVCRSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnc(C)cn2)C1=O ZINC001027733232 747204891 /nfs/dbraw/zinc/20/48/91/747204891.db2.gz WZYRCSTYJPVADZ-GDBMZVCRSA-N 1 1 343.431 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn[nH]c2)[C@@H]1CC ZINC000985047543 747299893 /nfs/dbraw/zinc/29/98/93/747299893.db2.gz LTXVXHQYIQFYMB-XHSDSOJGSA-N 1 1 343.431 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn[nH]c2)[C@@H]1CC ZINC000985047543 747299896 /nfs/dbraw/zinc/29/98/96/747299896.db2.gz LTXVXHQYIQFYMB-XHSDSOJGSA-N 1 1 343.431 0.617 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001002404610 747303398 /nfs/dbraw/zinc/30/33/98/747303398.db2.gz IHQRWAYFFDDFBS-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)cn2)C1 ZINC001105410339 747450675 /nfs/dbraw/zinc/45/06/75/747450675.db2.gz VHEOHCZYHWGCHO-OAHLLOKOSA-N 1 1 331.420 0.569 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)cn2)C1 ZINC001105410339 747450683 /nfs/dbraw/zinc/45/06/83/747450683.db2.gz VHEOHCZYHWGCHO-OAHLLOKOSA-N 1 1 331.420 0.569 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]3C2)nn1 ZINC001088135234 747466932 /nfs/dbraw/zinc/46/69/32/747466932.db2.gz BYXDVZQNSNQTGR-MCIONIFRSA-N 1 1 346.435 0.122 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@@H]2C1 ZINC001088137552 747473845 /nfs/dbraw/zinc/47/38/45/747473845.db2.gz SJYAHQSZZLRHKA-YCPHGPKFSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@@H]2C1 ZINC001088137552 747473847 /nfs/dbraw/zinc/47/38/47/747473847.db2.gz SJYAHQSZZLRHKA-YCPHGPKFSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNCc3nncs3)C2)CC1 ZINC000985154080 747476295 /nfs/dbraw/zinc/47/62/95/747476295.db2.gz CGAZILJAAYYCTG-CTYIDZIISA-N 1 1 347.488 0.868 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@@H]2C1 ZINC001088140284 747490725 /nfs/dbraw/zinc/49/07/25/747490725.db2.gz DFBXCLVCDKZBEB-KGLIPLIRSA-N 1 1 341.415 0.911 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@@H]2C1 ZINC001088141953 747495710 /nfs/dbraw/zinc/49/57/10/747495710.db2.gz LJMVGFOCKNIUKP-CABCVRRESA-N 1 1 346.431 0.283 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncccn1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979279048 747504825 /nfs/dbraw/zinc/50/48/25/747504825.db2.gz TWSUAVBUYNFKAD-DOMZBBRYSA-N 1 1 340.387 0.696 20 30 ECEDMO C[C@H]([NH2+]Cc1ncccn1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979279057 747504867 /nfs/dbraw/zinc/50/48/67/747504867.db2.gz TWSUAVBUYNFKAD-WFASDCNBSA-N 1 1 340.387 0.696 20 30 ECEDMO C[C@H]([NH2+]Cc1ccon1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979292345 747525948 /nfs/dbraw/zinc/52/59/48/747525948.db2.gz LNWLCKXIJGDAGJ-XHDPSFHLSA-N 1 1 329.360 0.894 20 30 ECEDMO C[C@@H]([NH2+]Cc1nncs1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979283907 747531971 /nfs/dbraw/zinc/53/19/71/747531971.db2.gz ALNYIJBGBUMUKE-ZWNOBZJWSA-N 1 1 346.416 0.757 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@@H]2C1 ZINC001088156394 747550530 /nfs/dbraw/zinc/55/05/30/747550530.db2.gz KUHLYUIYBVZIOD-KGLIPLIRSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@@H]2C1 ZINC001088156394 747550534 /nfs/dbraw/zinc/55/05/34/747550534.db2.gz KUHLYUIYBVZIOD-KGLIPLIRSA-N 1 1 326.462 0.920 20 30 ECEDMO C[C@H]([NH2+]Cc1ccon1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979295169 747558714 /nfs/dbraw/zinc/55/87/14/747558714.db2.gz QVJZODIVPFJLAA-NHYWBVRUSA-N 1 1 329.360 0.894 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)C3=COCCO3)CC2)C1=O ZINC000985236084 747579141 /nfs/dbraw/zinc/57/91/41/747579141.db2.gz NPFJHWXNSUUBPK-HNNXBMFYSA-N 1 1 349.431 0.584 20 30 ECEDMO CC(C)n1cc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 ZINC000979328401 747620243 /nfs/dbraw/zinc/62/02/43/747620243.db2.gz HGEISZBHYOSFHV-RHSMWYFYSA-N 1 1 345.447 0.978 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000982433723 752197152 /nfs/dbraw/zinc/19/71/52/752197152.db2.gz QOBGHHRBUGXCKI-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000982433723 752197154 /nfs/dbraw/zinc/19/71/54/752197154.db2.gz QOBGHHRBUGXCKI-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](CC)C(N)=O)CC[C@@H]3C2)cn1 ZINC001088175285 747677609 /nfs/dbraw/zinc/67/76/09/747677609.db2.gz OGDFNXSECYZBPO-VYDXJSESSA-N 1 1 340.427 0.721 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@@H]2C1 ZINC001088187311 747705119 /nfs/dbraw/zinc/70/51/19/747705119.db2.gz QATLFAOXRGBMCD-FGTMMUONSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]Cc3ccon3)C2)nn1 ZINC000979386998 747745262 /nfs/dbraw/zinc/74/52/62/747745262.db2.gz PGZATZCEZCKHHY-DOMZBBRYSA-N 1 1 346.391 0.471 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]Cc3ccon3)C2)nn1 ZINC000979387004 747745612 /nfs/dbraw/zinc/74/56/12/747745612.db2.gz PGZATZCEZCKHHY-IUODEOHRSA-N 1 1 346.391 0.471 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCOCC3)C[C@@H]2C1 ZINC001088208630 747749416 /nfs/dbraw/zinc/74/94/16/747749416.db2.gz KEWXDJTVMYTXBV-QYZOEREBSA-N 1 1 345.487 0.901 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)c1ccc(C#N)nn1 ZINC001112181084 747761059 /nfs/dbraw/zinc/76/10/59/747761059.db2.gz CGIWIRNAUMYRGX-HIFRSBDPSA-N 1 1 330.436 0.831 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)Cc3cc[nH]n3)CC2)C1=O ZINC000985349011 747767723 /nfs/dbraw/zinc/76/77/23/747767723.db2.gz KYBVIQMEVSDIAC-MRXNPFEDSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000985349011 747767727 /nfs/dbraw/zinc/76/77/27/747767727.db2.gz KYBVIQMEVSDIAC-MRXNPFEDSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000985349011 747767731 /nfs/dbraw/zinc/76/77/31/747767731.db2.gz KYBVIQMEVSDIAC-MRXNPFEDSA-N 1 1 345.447 0.662 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC001088231266 747780028 /nfs/dbraw/zinc/78/00/28/747780028.db2.gz NAQPGDATFFVUSP-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001088233041 747790069 /nfs/dbraw/zinc/79/00/69/747790069.db2.gz GRJBNBKYBLTTCI-INIZCTEOSA-N 1 1 345.447 0.782 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001088234788 747804614 /nfs/dbraw/zinc/80/46/14/747804614.db2.gz BOSHBZQMCCUJBD-OAHLLOKOSA-N 1 1 331.420 0.771 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001088234788 747804621 /nfs/dbraw/zinc/80/46/21/747804621.db2.gz BOSHBZQMCCUJBD-OAHLLOKOSA-N 1 1 331.420 0.771 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC2(F)F)C1 ZINC001002827055 747840880 /nfs/dbraw/zinc/84/08/80/747840880.db2.gz SIHVXSMPINLALY-OLZOCXBDSA-N 1 1 325.359 0.314 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC2(F)F)C1 ZINC001002827055 747840887 /nfs/dbraw/zinc/84/08/87/747840887.db2.gz SIHVXSMPINLALY-OLZOCXBDSA-N 1 1 325.359 0.314 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccccc2)C1 ZINC001002828756 747844022 /nfs/dbraw/zinc/84/40/22/747844022.db2.gz GSFZJDIXICDHCU-KRWDZBQOSA-N 1 1 325.412 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccccc2)C1 ZINC001002828756 747844027 /nfs/dbraw/zinc/84/40/27/747844027.db2.gz GSFZJDIXICDHCU-KRWDZBQOSA-N 1 1 325.412 0.972 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001088237650 747846821 /nfs/dbraw/zinc/84/68/21/747846821.db2.gz ZLCBEXDFDXBABL-JKSUJKDBSA-N 1 1 348.447 0.021 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CC(OC)C2)C1 ZINC001002834226 747855425 /nfs/dbraw/zinc/85/54/25/747855425.db2.gz CRUKZCFZOQPRAM-GPANFISMSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CC(OC)C2)C1 ZINC001002834226 747855433 /nfs/dbraw/zinc/85/54/33/747855433.db2.gz CRUKZCFZOQPRAM-GPANFISMSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000982440342 752218442 /nfs/dbraw/zinc/21/84/42/752218442.db2.gz YGILOMWKDHGEHV-ZBFHGGJFSA-N 1 1 328.416 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000982440342 752218444 /nfs/dbraw/zinc/21/84/44/752218444.db2.gz YGILOMWKDHGEHV-ZBFHGGJFSA-N 1 1 328.416 0.691 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001002849556 747874436 /nfs/dbraw/zinc/87/44/36/747874436.db2.gz UVWQJNRHVMARDO-CVEARBPZSA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ocnc2C)C1=O ZINC001027807076 747941783 /nfs/dbraw/zinc/94/17/83/747941783.db2.gz BNBSDCPZDQJIBB-UONOGXRCSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ocnc2C)C1=O ZINC001027807076 747941786 /nfs/dbraw/zinc/94/17/86/747941786.db2.gz BNBSDCPZDQJIBB-UONOGXRCSA-N 1 1 332.404 0.964 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1 ZINC001007256260 752226909 /nfs/dbraw/zinc/22/69/09/752226909.db2.gz CSUSPHPPGXNGMU-GJZGRUSLSA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1 ZINC001007256258 752227028 /nfs/dbraw/zinc/22/70/28/752227028.db2.gz CSUSPHPPGXNGMU-CABCVRRESA-N 1 1 328.372 0.747 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059547567 747967194 /nfs/dbraw/zinc/96/71/94/747967194.db2.gz OUEMVCKNIJRJKT-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059547567 747967201 /nfs/dbraw/zinc/96/72/01/747967201.db2.gz OUEMVCKNIJRJKT-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO CN(C)c1noc(C[N@H+](C)C2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC000985427713 747990896 /nfs/dbraw/zinc/99/08/96/747990896.db2.gz CYLVNDPUZYYTQV-UHFFFAOYSA-N 1 1 331.420 0.972 20 30 ECEDMO CN(C)c1noc(C[N@@H+](C)C2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC000985427713 747990901 /nfs/dbraw/zinc/99/09/01/747990901.db2.gz CYLVNDPUZYYTQV-UHFFFAOYSA-N 1 1 331.420 0.972 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813784 748011944 /nfs/dbraw/zinc/01/19/44/748011944.db2.gz BGGKAPWVVHBOIZ-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813784 748011955 /nfs/dbraw/zinc/01/19/55/748011955.db2.gz BGGKAPWVVHBOIZ-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO CN(C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001027822047 748116804 /nfs/dbraw/zinc/11/68/04/748116804.db2.gz WTYHHPDHRQUZPW-CQSZACIVSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001027822047 748116808 /nfs/dbraw/zinc/11/68/08/748116808.db2.gz WTYHHPDHRQUZPW-CQSZACIVSA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cccn2)[nH]1 ZINC001027821882 748131818 /nfs/dbraw/zinc/13/18/18/748131818.db2.gz TYYYBVJLXZOBBW-GJZGRUSLSA-N 1 1 342.403 0.338 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001029724721 748160153 /nfs/dbraw/zinc/16/01/53/748160153.db2.gz NZLPGDIPDZHHPB-CVEARBPZSA-N 1 1 342.399 0.947 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979659351 748174499 /nfs/dbraw/zinc/17/44/99/748174499.db2.gz XSSRGFLJLDMMFU-QHSBEEBCSA-N 1 1 343.431 0.709 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001029737955 748192565 /nfs/dbraw/zinc/19/25/65/748192565.db2.gz QHDQADQCYIIPKR-CQSZACIVSA-N 1 1 339.403 0.525 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1 ZINC000985476204 748218192 /nfs/dbraw/zinc/21/81/92/748218192.db2.gz OUFSUJCAIBGDEG-KRWDZBQOSA-N 1 1 344.463 0.299 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC000979677161 748229581 /nfs/dbraw/zinc/22/95/81/748229581.db2.gz VYKZCTHCZPATJW-BFHYXJOUSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@@H]2C1 ZINC000979737312 748315658 /nfs/dbraw/zinc/31/56/58/748315658.db2.gz YTKBXKVLZZNTPW-MJBXVCDLSA-N 1 1 346.435 0.170 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccn4nnnc34)C[C@@H]2C1 ZINC000979756314 748370921 /nfs/dbraw/zinc/37/09/21/748370921.db2.gz ZYECTUNXQDGYGE-RRFJBIMHSA-N 1 1 338.415 0.978 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000979772216 748396421 /nfs/dbraw/zinc/39/64/21/748396421.db2.gz JSEVDCZGQJCDMF-BFYDXBDKSA-N 1 1 340.427 0.639 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cncn3C)CC2)C1=O ZINC000985524995 748403763 /nfs/dbraw/zinc/40/37/63/748403763.db2.gz FQLGULUFTKUBDB-HNNXBMFYSA-N 1 1 345.447 0.743 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001029802947 748484572 /nfs/dbraw/zinc/48/45/72/748484572.db2.gz HGRLBBQJZHNLEG-IAGOWNOFSA-N 1 1 340.427 0.975 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3csnn3)CC2)C1=O ZINC000985560083 748517767 /nfs/dbraw/zinc/51/77/67/748517767.db2.gz FNKNUWJHCHGXHK-CQSZACIVSA-N 1 1 349.460 0.861 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000985563322 748533063 /nfs/dbraw/zinc/53/30/63/748533063.db2.gz YVXCTTVDVAISIS-UHFFFAOYSA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000979859212 748539283 /nfs/dbraw/zinc/53/92/83/748539283.db2.gz YLYAJLORSCTIFM-ZNEHSRBWSA-N 1 1 343.431 0.851 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCNC3=O)CC2)c(F)c1 ZINC001003431460 748549158 /nfs/dbraw/zinc/54/91/58/748549158.db2.gz JBNRGQIRKMDQKY-HNNXBMFYSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCS(C)(=O)=O)C2 ZINC001040121574 748591930 /nfs/dbraw/zinc/59/19/30/748591930.db2.gz SIZJXQCHDYKERC-HIFRSBDPSA-N 1 1 327.450 0.505 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCS(C)(=O)=O)C2 ZINC001040121574 748591935 /nfs/dbraw/zinc/59/19/35/748591935.db2.gz SIZJXQCHDYKERC-HIFRSBDPSA-N 1 1 327.450 0.505 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029822190 748604422 /nfs/dbraw/zinc/60/44/22/748604422.db2.gz ZLCQHUINMRZUTB-CJNGLKHVSA-N 1 1 341.415 0.520 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001059587283 748618465 /nfs/dbraw/zinc/61/84/65/748618465.db2.gz ONCJFMDYJUZUTC-MBNYWOFBSA-N 1 1 349.822 0.996 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001059587283 748618470 /nfs/dbraw/zinc/61/84/70/748618470.db2.gz ONCJFMDYJUZUTC-MBNYWOFBSA-N 1 1 349.822 0.996 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@H+](C)[C@@H](CC)C(N)=O)CC2)c1 ZINC000985637339 748775658 /nfs/dbraw/zinc/77/56/58/748775658.db2.gz GBIVBQNRCJFPRO-INIZCTEOSA-N 1 1 328.416 0.863 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn4c(n3)COCC4)C[C@H]2C1 ZINC000979984381 748779421 /nfs/dbraw/zinc/77/94/21/748779421.db2.gz GQQSZSMWAXVUHH-KKUMJFAQSA-N 1 1 328.416 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc[nH]c1 ZINC001003677730 748786744 /nfs/dbraw/zinc/78/67/44/748786744.db2.gz ZKLSVSPLLFJNQW-NCOADZHNSA-N 1 1 340.427 0.974 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc[nH]c1 ZINC001003677730 748786747 /nfs/dbraw/zinc/78/67/47/748786747.db2.gz ZKLSVSPLLFJNQW-NCOADZHNSA-N 1 1 340.427 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001003753760 748863315 /nfs/dbraw/zinc/86/33/15/748863315.db2.gz RZYINYXJFYFSLW-ZDUSSCGKSA-N 1 1 348.428 0.135 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001003753760 748863319 /nfs/dbraw/zinc/86/33/19/748863319.db2.gz RZYINYXJFYFSLW-ZDUSSCGKSA-N 1 1 348.428 0.135 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CC[NH+]([C@H](C)C(=O)NC)CC2)nn1 ZINC001003766882 748875173 /nfs/dbraw/zinc/87/51/73/748875173.db2.gz UJBQTZLMQUJWAR-GFCCVEGCSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3ccnn3C)CC2)nn1 ZINC000985695023 748882078 /nfs/dbraw/zinc/88/20/78/748882078.db2.gz KFPDYCIKVLTVOT-UHFFFAOYSA-N 1 1 343.435 0.934 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2cn(C3CCOCC3)nn2)CC1 ZINC000985740557 748984452 /nfs/dbraw/zinc/98/44/52/748984452.db2.gz DBJSRXUZDVQKRN-UHFFFAOYSA-N 1 1 331.420 0.799 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000985774614 749057221 /nfs/dbraw/zinc/05/72/21/749057221.db2.gz SUFWACMNJYUIED-HNNXBMFYSA-N 1 1 329.466 0.567 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001003958591 749081811 /nfs/dbraw/zinc/08/18/11/749081811.db2.gz PAINYIVVGPQPCY-UHFFFAOYSA-N 1 1 328.800 0.214 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001059648291 749113259 /nfs/dbraw/zinc/11/32/59/749113259.db2.gz QAHMCMLGSWLGFG-GOEBONIOSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001003992322 749118508 /nfs/dbraw/zinc/11/85/08/749118508.db2.gz NKCIINONUWONEJ-UHFFFAOYSA-N 1 1 330.388 0.034 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3nc4ncccn4n3)C[C@@H]2C1 ZINC000980187348 749139922 /nfs/dbraw/zinc/13/99/22/749139922.db2.gz IEBYVCANKBKMOJ-ZNMIVQPWSA-N 1 1 338.415 0.978 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059654312 749149231 /nfs/dbraw/zinc/14/92/31/749149231.db2.gz ALVNZPMNCBHEGH-SCRDCRAPSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059654312 749149236 /nfs/dbraw/zinc/14/92/36/749149236.db2.gz ALVNZPMNCBHEGH-SCRDCRAPSA-N 1 1 330.392 0.128 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001027890017 749152800 /nfs/dbraw/zinc/15/28/00/749152800.db2.gz MLYJVGCZRJLXIV-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001027890017 749152805 /nfs/dbraw/zinc/15/28/05/749152805.db2.gz MLYJVGCZRJLXIV-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1ccnc(C#N)n1 ZINC001126254698 749154582 /nfs/dbraw/zinc/15/45/82/749154582.db2.gz MIPMFEIFOGEFJG-CYBMUJFWSA-N 1 1 332.408 0.011 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001098734691 749167110 /nfs/dbraw/zinc/16/71/10/749167110.db2.gz WGNMJQRSIDADNB-ZBFHGGJFSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC34CC4)CC2)CC1 ZINC000985825235 749181706 /nfs/dbraw/zinc/18/17/06/749181706.db2.gz DHATXLQDBXVGHN-INIZCTEOSA-N 1 1 344.459 0.692 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(=O)NC)C[C@H]3C2)nc1 ZINC000980206762 749183384 /nfs/dbraw/zinc/18/33/84/749183384.db2.gz IAOZEGKDGQYPOS-ARFHVFGLSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cnn(CCOC)c3)C[C@H]2C1 ZINC000980234935 749217571 /nfs/dbraw/zinc/21/75/71/749217571.db2.gz YGOXHUJETKZZIF-ZOBUZTSGSA-N 1 1 330.432 0.993 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC000980235511 749219073 /nfs/dbraw/zinc/21/90/73/749219073.db2.gz ATIZEUAFIJRKIQ-XQQFMLRXSA-N 1 1 327.388 0.039 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC000980243656 749248615 /nfs/dbraw/zinc/24/86/15/749248615.db2.gz KANHSZXKVFFCAL-MELADBBJSA-N 1 1 343.431 0.982 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001004149945 749263123 /nfs/dbraw/zinc/26/31/23/749263123.db2.gz OMQDHQTUHGRFPA-HOCLYGCPSA-N 1 1 334.464 0.306 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001004149945 749263132 /nfs/dbraw/zinc/26/31/32/749263132.db2.gz OMQDHQTUHGRFPA-HOCLYGCPSA-N 1 1 334.464 0.306 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001004198368 749304562 /nfs/dbraw/zinc/30/45/62/749304562.db2.gz CTQLVNKUNMOEGF-UHFFFAOYSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CCNC(=O)CSCC#N)C2)C1 ZINC001059671791 749314556 /nfs/dbraw/zinc/31/45/56/749314556.db2.gz LBKVQMXSYKMVEV-UONOGXRCSA-N 1 1 338.477 0.550 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(CC(NC(=O)C(F)F)C2)C1 ZINC001013938061 761945566 /nfs/dbraw/zinc/94/55/66/761945566.db2.gz KKSARRCZZVNYHS-LMYLPIETSA-N 1 1 339.386 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(CC(NC(=O)C(F)F)C2)C1 ZINC001013938061 761945572 /nfs/dbraw/zinc/94/55/72/761945572.db2.gz KKSARRCZZVNYHS-LMYLPIETSA-N 1 1 339.386 0.893 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001004449748 749512385 /nfs/dbraw/zinc/51/23/85/749512385.db2.gz OOSJQAOIIIBUAR-GFCCVEGCSA-N 1 1 345.403 0.618 20 30 ECEDMO CCc1nc(NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)cc(C)[nH+]1 ZINC001105809169 761957697 /nfs/dbraw/zinc/95/76/97/761957697.db2.gz XCOQWIAYABBAHI-GFCCVEGCSA-N 1 1 328.376 0.750 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000980437995 749592988 /nfs/dbraw/zinc/59/29/88/749592988.db2.gz RONQRNWYDFSMKL-OBJOEFQTSA-N 1 1 347.394 0.271 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000980437995 749592994 /nfs/dbraw/zinc/59/29/94/749592994.db2.gz RONQRNWYDFSMKL-OBJOEFQTSA-N 1 1 347.394 0.271 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)Cc3n[nH]c(C)n3)C2)CC1 ZINC000980479357 749631819 /nfs/dbraw/zinc/63/18/19/749631819.db2.gz VCPQROACBMIRAZ-MRXNPFEDSA-N 1 1 344.463 0.491 20 30 ECEDMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000986186139 749645086 /nfs/dbraw/zinc/64/50/86/749645086.db2.gz PNCNNZYUQSSTOU-FZMZJTMJSA-N 1 1 345.382 0.840 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000986184181 749650780 /nfs/dbraw/zinc/65/07/80/749650780.db2.gz LTDDHOOFGUOERB-DGCLKSJQSA-N 1 1 342.407 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)n(C)n3)[C@H]2C)C1=O ZINC001088485217 749663447 /nfs/dbraw/zinc/66/34/47/749663447.db2.gz XPNHLPKSLPWCSQ-IJEWVQPXSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)n(C)n3)[C@H]2C)C1=O ZINC001088485217 749663449 /nfs/dbraw/zinc/66/34/49/749663449.db2.gz XPNHLPKSLPWCSQ-IJEWVQPXSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3cc(C)cn3)[C@H]2C)C1=O ZINC001088485397 749667308 /nfs/dbraw/zinc/66/73/08/749667308.db2.gz IJMUQSFMHRYRRL-PMPSAXMXSA-N 1 1 345.447 0.557 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc(C)cn3)[C@H]2C)C1=O ZINC001088485397 749667310 /nfs/dbraw/zinc/66/73/10/749667310.db2.gz IJMUQSFMHRYRRL-PMPSAXMXSA-N 1 1 345.447 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nonc1C ZINC001027944524 749679793 /nfs/dbraw/zinc/67/97/93/749679793.db2.gz ZCGLOXFVCIKKJL-HOCLYGCPSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nonc1C ZINC001027944524 749679798 /nfs/dbraw/zinc/67/97/98/749679798.db2.gz ZCGLOXFVCIKKJL-HOCLYGCPSA-N 1 1 331.420 0.556 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000980548165 749760343 /nfs/dbraw/zinc/76/03/43/749760343.db2.gz CDHZRYDJGLITKF-NZBPQXDJSA-N 1 1 343.431 0.709 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000980579091 749807148 /nfs/dbraw/zinc/80/71/48/749807148.db2.gz JSJQHFSBWQIWNI-HHARLNAUSA-N 1 1 349.475 0.930 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000980579699 749808540 /nfs/dbraw/zinc/80/85/40/749808540.db2.gz VDZMHMMADXRRLJ-FPCVCCKLSA-N 1 1 346.431 0.794 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C3=COCCO3)CC2)C1=O ZINC000980661687 749936742 /nfs/dbraw/zinc/93/67/42/749936742.db2.gz IWVACXNNFFRTSE-CQSZACIVSA-N 1 1 335.404 0.196 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C3=COCCO3)CC2)C1=O ZINC000980661687 749936747 /nfs/dbraw/zinc/93/67/47/749936747.db2.gz IWVACXNNFFRTSE-CQSZACIVSA-N 1 1 335.404 0.196 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)c3cn[nH]c3)CC2)C1=O ZINC001029941463 749989444 /nfs/dbraw/zinc/98/94/44/749989444.db2.gz XDWDHWYYRBLFHC-MRXNPFEDSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001058850416 750195126 /nfs/dbraw/zinc/19/51/26/750195126.db2.gz PHXOTZURYMMUMC-UHFFFAOYSA-N 1 1 337.464 0.459 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCCNc2cncc(C#N)n2)C1 ZINC001114946578 750239321 /nfs/dbraw/zinc/23/93/21/750239321.db2.gz PJMQECDOVDBVOT-HIFRSBDPSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCCNc2cncc(C#N)n2)C1 ZINC001114946578 750239327 /nfs/dbraw/zinc/23/93/27/750239327.db2.gz PJMQECDOVDBVOT-HIFRSBDPSA-N 1 1 346.435 0.766 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001027993863 750250454 /nfs/dbraw/zinc/25/04/54/750250454.db2.gz CGMOEEANMCEICJ-LLVKDONJSA-N 1 1 327.406 0.697 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[NH+]3CCC(C)CC3)C2)nn1 ZINC001105347339 750290545 /nfs/dbraw/zinc/29/05/45/750290545.db2.gz AILXGYRYQMGLTG-UHFFFAOYSA-N 1 1 344.463 0.506 20 30 ECEDMO Cc1nsc(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001058857193 750351882 /nfs/dbraw/zinc/35/18/82/750351882.db2.gz MFADMBKILNXQBH-WCQYABFASA-N 1 1 335.433 0.667 20 30 ECEDMO Cc1nsc(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001058857193 750351888 /nfs/dbraw/zinc/35/18/88/750351888.db2.gz MFADMBKILNXQBH-WCQYABFASA-N 1 1 335.433 0.667 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]nc2C)C1=O ZINC001028061865 750443347 /nfs/dbraw/zinc/44/33/47/750443347.db2.gz GTKMBEAUNNHOBD-UKRRQHHQSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]nc2C)C1=O ZINC001028061865 750443351 /nfs/dbraw/zinc/44/33/51/750443351.db2.gz GTKMBEAUNNHOBD-UKRRQHHQSA-N 1 1 331.420 0.699 20 30 ECEDMO Cc1nsc(N(C)CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001105355531 750521779 /nfs/dbraw/zinc/52/17/79/750521779.db2.gz QCPWDLDPYVWWTQ-ZDUSSCGKSA-N 1 1 337.449 0.548 20 30 ECEDMO Cc1nsc(N(C)CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001105355531 750521785 /nfs/dbraw/zinc/52/17/85/750521785.db2.gz QCPWDLDPYVWWTQ-ZDUSSCGKSA-N 1 1 337.449 0.548 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000981276335 750523623 /nfs/dbraw/zinc/52/36/23/750523623.db2.gz LQKNOPOVNPBVGD-MRXNPFEDSA-N 1 1 337.464 0.982 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nccc(C)n3)[C@H]2C)nn1 ZINC000987132249 750525190 /nfs/dbraw/zinc/52/51/90/750525190.db2.gz HNOXYURXCHFCKG-ZIAGYGMSSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)[C@H]2C)nn1 ZINC000987166523 750560254 /nfs/dbraw/zinc/56/02/54/750560254.db2.gz HHZLATBUVATBLR-CHWSQXEVSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001028086652 750615122 /nfs/dbraw/zinc/61/51/22/750615122.db2.gz XTMZGASDJJKYHE-AALSBFMBSA-N 1 1 333.432 0.246 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088549831 750632682 /nfs/dbraw/zinc/63/26/82/750632682.db2.gz FRUOTKZYPMEWTQ-ONERCXAPSA-N 1 1 346.362 0.885 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088549831 750632686 /nfs/dbraw/zinc/63/26/86/750632686.db2.gz FRUOTKZYPMEWTQ-ONERCXAPSA-N 1 1 346.362 0.885 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3nnn(C)n3)C2)nc1 ZINC000981463985 750719534 /nfs/dbraw/zinc/71/95/34/750719534.db2.gz LHDBZHFKTWRHTL-UONOGXRCSA-N 1 1 339.403 0.417 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001005848688 750723336 /nfs/dbraw/zinc/72/33/36/750723336.db2.gz PLOPWXFORSFSDJ-DZGCQCFKSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001005848688 750723338 /nfs/dbraw/zinc/72/33/38/750723338.db2.gz PLOPWXFORSFSDJ-DZGCQCFKSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCCN(CCOC)c1cc(C)[nH+]c(C)n1 ZINC001126312126 750728186 /nfs/dbraw/zinc/72/81/86/750728186.db2.gz PTKVHNDCRZNVTC-QGZVFWFLSA-N 1 1 336.436 0.990 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001005869278 750747546 /nfs/dbraw/zinc/74/75/46/750747546.db2.gz NJYWSEKCSLMECY-GFCCVEGCSA-N 1 1 343.431 0.947 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001059795074 750761626 /nfs/dbraw/zinc/76/16/26/750761626.db2.gz XKESAVNJLBWPDI-HLLBOEOZSA-N 1 1 343.431 0.543 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001059795074 750761629 /nfs/dbraw/zinc/76/16/29/750761629.db2.gz XKESAVNJLBWPDI-HLLBOEOZSA-N 1 1 343.431 0.543 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)Cn2nnc(-c3ccco3)n2)CC1 ZINC000981520544 750768275 /nfs/dbraw/zinc/76/82/75/750768275.db2.gz VDJRJTQNBAOHFI-UHFFFAOYSA-N 1 1 328.376 0.491 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001005925250 750807445 /nfs/dbraw/zinc/80/74/45/750807445.db2.gz UPNMIALPPVEHOU-XHDPSFHLSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001005929212 750812622 /nfs/dbraw/zinc/81/26/22/750812622.db2.gz UOYLDEWONRQYED-OLZOCXBDSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001005929206 750813105 /nfs/dbraw/zinc/81/31/05/750813105.db2.gz UOYLDEWONRQYED-CHWSQXEVSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001005940193 750822948 /nfs/dbraw/zinc/82/29/48/750822948.db2.gz RPFZKLSMFDJPQY-YWPYICTPSA-N 1 1 343.431 0.803 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001005940699 750823880 /nfs/dbraw/zinc/82/38/80/750823880.db2.gz UABOVLNGIQZPER-CHWSQXEVSA-N 1 1 343.431 0.805 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)ccc1F ZINC001028109344 750911588 /nfs/dbraw/zinc/91/15/88/750911588.db2.gz HDENSLCVVNIXQZ-HIFRSBDPSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)ccc1F ZINC001028109344 750911592 /nfs/dbraw/zinc/91/15/92/750911592.db2.gz HDENSLCVVNIXQZ-HIFRSBDPSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1 ZINC001028110894 750924060 /nfs/dbraw/zinc/92/40/60/750924060.db2.gz UYTMDVUQUHBCRM-LSDHHAIUSA-N 1 1 327.388 0.320 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000981693660 750979347 /nfs/dbraw/zinc/97/93/47/750979347.db2.gz RJRUIUNJAYKDLO-UHFFFAOYSA-N 1 1 339.403 0.753 20 30 ECEDMO Cn1nncc1C[N@H+]1CCCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000981693660 750979349 /nfs/dbraw/zinc/97/93/49/750979349.db2.gz RJRUIUNJAYKDLO-UHFFFAOYSA-N 1 1 339.403 0.753 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000981720842 751012708 /nfs/dbraw/zinc/01/27/08/751012708.db2.gz UHUXJNPEJSENSF-UHFFFAOYSA-N 1 1 327.388 0.054 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001006110496 751024009 /nfs/dbraw/zinc/02/40/09/751024009.db2.gz CWDPPMZDEBZVTB-NEPJUHHUSA-N 1 1 329.404 0.415 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000987620175 751041487 /nfs/dbraw/zinc/04/14/87/751041487.db2.gz GWPVUQBXQDIVQC-RISCZKNCSA-N 1 1 340.387 0.811 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCCNC2=O)c1 ZINC001028127866 751134615 /nfs/dbraw/zinc/13/46/15/751134615.db2.gz YGNLETIOLLXSJR-CVEARBPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCCNC2=O)c1 ZINC001028127866 751134616 /nfs/dbraw/zinc/13/46/16/751134616.db2.gz YGNLETIOLLXSJR-CVEARBPZSA-N 1 1 326.400 0.536 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001028136348 751173593 /nfs/dbraw/zinc/17/35/93/751173593.db2.gz NCWYAQKFIIIJFU-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001028137117 751185841 /nfs/dbraw/zinc/18/58/41/751185841.db2.gz GDPLKHONGPNJFT-CQSZACIVSA-N 1 1 330.432 0.741 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3coc(S(N)(=O)=O)c3)C2)C1 ZINC000981853539 751201494 /nfs/dbraw/zinc/20/14/94/751201494.db2.gz PCHAMCBJSXFGCM-UHFFFAOYSA-N 1 1 337.401 0.098 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+]([C@H]3CCNC3=O)CC2)cn1 ZINC001006313137 751231977 /nfs/dbraw/zinc/23/19/77/751231977.db2.gz LHOOMBFBSFDOKA-INIZCTEOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cnn(C)c2)C1 ZINC001006319774 751242402 /nfs/dbraw/zinc/24/24/02/751242402.db2.gz NHWRUXLDYFNRFO-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cnn(C)c2)C1 ZINC001006319774 751242406 /nfs/dbraw/zinc/24/24/06/751242406.db2.gz NHWRUXLDYFNRFO-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc(C)n[nH]2)C1 ZINC001006322388 751244849 /nfs/dbraw/zinc/24/48/49/751244849.db2.gz UPRXCHOQSAOBHV-BBRMVZONSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc(C)n[nH]2)C1 ZINC001006322388 751244850 /nfs/dbraw/zinc/24/48/50/751244850.db2.gz UPRXCHOQSAOBHV-BBRMVZONSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc(C)n[nH]2)C1 ZINC001006322392 751244869 /nfs/dbraw/zinc/24/48/69/751244869.db2.gz UPRXCHOQSAOBHV-CJNGLKHVSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc(C)n[nH]2)C1 ZINC001006322392 751244871 /nfs/dbraw/zinc/24/48/71/751244871.db2.gz UPRXCHOQSAOBHV-CJNGLKHVSA-N 1 1 343.431 0.392 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[N@H+](CCN3C(=O)CNC3=O)CC2)C1 ZINC000981909400 751263620 /nfs/dbraw/zinc/26/36/20/751263620.db2.gz LYCSVLIMZWBUOS-UHFFFAOYSA-N 1 1 334.420 0.429 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[N@@H+](CCN3C(=O)CNC3=O)CC2)C1 ZINC000981909400 751263624 /nfs/dbraw/zinc/26/36/24/751263624.db2.gz LYCSVLIMZWBUOS-UHFFFAOYSA-N 1 1 334.420 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cncn2C)C1 ZINC001006354894 751283082 /nfs/dbraw/zinc/28/30/82/751283082.db2.gz CXGQWBAUQGDKKX-ZFWWWQNUSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cncn2C)C1 ZINC001006354894 751283085 /nfs/dbraw/zinc/28/30/85/751283085.db2.gz CXGQWBAUQGDKKX-ZFWWWQNUSA-N 1 1 343.431 0.094 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC000981932746 751285975 /nfs/dbraw/zinc/28/59/75/751285975.db2.gz DRUAYTAEMZUHMX-UHFFFAOYSA-N 1 1 340.855 0.095 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC000981932746 751285979 /nfs/dbraw/zinc/28/59/79/751285979.db2.gz DRUAYTAEMZUHMX-UHFFFAOYSA-N 1 1 340.855 0.095 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000987886069 751316143 /nfs/dbraw/zinc/31/61/43/751316143.db2.gz CNZYPXQFBHHQSY-HIFRSBDPSA-N 1 1 343.431 0.759 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007338975 752305597 /nfs/dbraw/zinc/30/55/97/752305597.db2.gz WGQWJWWYJYZOGP-KBPBESRZSA-N 1 1 329.404 0.367 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007338975 752305606 /nfs/dbraw/zinc/30/56/06/752305606.db2.gz WGQWJWWYJYZOGP-KBPBESRZSA-N 1 1 329.404 0.367 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)s1 ZINC001007341270 752308531 /nfs/dbraw/zinc/30/85/31/752308531.db2.gz XRNHXICMYGCKAO-LLVKDONJSA-N 1 1 331.405 0.387 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)s1 ZINC001007341270 752308538 /nfs/dbraw/zinc/30/85/38/752308538.db2.gz XRNHXICMYGCKAO-LLVKDONJSA-N 1 1 331.405 0.387 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC001088605515 752333706 /nfs/dbraw/zinc/33/37/06/752333706.db2.gz VHGPQHLHQMFNHI-KGLIPLIRSA-N 1 1 334.420 0.092 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C(C)C)C2)nc1 ZINC001020947200 752373612 /nfs/dbraw/zinc/37/36/12/752373612.db2.gz RSYUQBRMYMDETR-HDJSIYSDSA-N 1 1 339.403 0.681 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@@]2(C)C1 ZINC000982485646 752410399 /nfs/dbraw/zinc/41/03/99/752410399.db2.gz IUCZEOGFWCCRFQ-ZOCIIQOWSA-N 1 1 341.459 0.724 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](CCCC)C(N)=O)C[C@H]1OC ZINC001212034016 752422388 /nfs/dbraw/zinc/42/23/88/752422388.db2.gz QVTOPGQUXLLEJC-HZSPNIEDSA-N 1 1 327.425 0.049 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](CCCC)C(N)=O)C[C@H]1OC ZINC001212034016 752422394 /nfs/dbraw/zinc/42/23/94/752422394.db2.gz QVTOPGQUXLLEJC-HZSPNIEDSA-N 1 1 327.425 0.049 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041436 752433825 /nfs/dbraw/zinc/43/38/25/752433825.db2.gz PPDZMOFNKVGUTR-COLVAYQJSA-N 1 1 329.360 0.698 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041436 752433826 /nfs/dbraw/zinc/43/38/26/752433826.db2.gz PPDZMOFNKVGUTR-COLVAYQJSA-N 1 1 329.360 0.698 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCCCC(=O)N3)C2)nn1 ZINC001105366573 752463719 /nfs/dbraw/zinc/46/37/19/752463719.db2.gz XQTNUUMGKURZHQ-CYBMUJFWSA-N 1 1 346.435 0.386 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)n1C ZINC000988649982 752469935 /nfs/dbraw/zinc/46/99/35/752469935.db2.gz DEGDZUBWGOTYCQ-AAEUAGOBSA-N 1 1 341.419 0.970 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2[nH]cnc2C)C1=O ZINC001028353586 752474637 /nfs/dbraw/zinc/47/46/37/752474637.db2.gz YLHPHWDMGJCVSZ-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2[nH]cnc2C)C1=O ZINC001028353586 752474643 /nfs/dbraw/zinc/47/46/43/752474643.db2.gz YLHPHWDMGJCVSZ-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2csnn2)C1 ZINC001007519187 752475849 /nfs/dbraw/zinc/47/58/49/752475849.db2.gz KPPRESMDBURPDZ-ZFWWWQNUSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2csnn2)C1 ZINC001007519187 752475854 /nfs/dbraw/zinc/47/58/54/752475854.db2.gz KPPRESMDBURPDZ-ZFWWWQNUSA-N 1 1 333.461 0.716 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)NC(=O)CC)C2)nn1 ZINC001098678349 752517366 /nfs/dbraw/zinc/51/73/66/752517366.db2.gz HJMQEEPWUCDGIY-JSGCOSHPSA-N 1 1 334.424 0.242 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC000982495686 752524756 /nfs/dbraw/zinc/52/47/56/752524756.db2.gz RVJZYGRIEQGVHZ-JSGCOSHPSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC000982495686 752524761 /nfs/dbraw/zinc/52/47/61/752524761.db2.gz RVJZYGRIEQGVHZ-JSGCOSHPSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2coc(CC)n2)C1 ZINC000937856791 752578054 /nfs/dbraw/zinc/57/80/54/752578054.db2.gz CMCGERBRTNICCZ-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2coc(CC)n2)C1 ZINC000937856791 752578060 /nfs/dbraw/zinc/57/80/60/752578060.db2.gz CMCGERBRTNICCZ-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)cc1 ZINC001028421753 752596094 /nfs/dbraw/zinc/59/60/94/752596094.db2.gz VIVMELDAYQKMSJ-IAGOWNOFSA-N 1 1 329.400 0.912 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)c1 ZINC001028448309 752683099 /nfs/dbraw/zinc/68/30/99/752683099.db2.gz DAKPNWQORYSYST-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCC2)[nH]1 ZINC001021232967 752683366 /nfs/dbraw/zinc/68/33/66/752683366.db2.gz RQMNPLPXCWGMJV-GOOCMWNKSA-N 1 1 341.415 0.844 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001021235345 752687420 /nfs/dbraw/zinc/68/74/20/752687420.db2.gz DYXDELMCAUWYOW-APHBMKBZSA-N 1 1 341.415 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001028452004 752688879 /nfs/dbraw/zinc/68/88/79/752688879.db2.gz CZYCKQWMANHMOG-GJZGRUSLSA-N 1 1 345.447 0.865 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](CNC(=O)c3[nH]nc(C)c3C)C2)C1=O ZINC001028452004 752688884 /nfs/dbraw/zinc/68/88/84/752688884.db2.gz CZYCKQWMANHMOG-GJZGRUSLSA-N 1 1 345.447 0.865 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cnn(CC)c3)C2)C1=O ZINC001028452033 752690452 /nfs/dbraw/zinc/69/04/52/752690452.db2.gz DRWDVXWYHVRFSS-HOCLYGCPSA-N 1 1 345.447 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000982515261 752692960 /nfs/dbraw/zinc/69/29/60/752692960.db2.gz DQQNIHHCNBMAHN-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000982515261 752692966 /nfs/dbraw/zinc/69/29/66/752692966.db2.gz DQQNIHHCNBMAHN-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC001007653610 752716938 /nfs/dbraw/zinc/71/69/38/752716938.db2.gz JJHWLAXEUZWZDJ-VQIMIIECSA-N 1 1 345.443 0.324 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001021260320 752718984 /nfs/dbraw/zinc/71/89/84/752718984.db2.gz KCPPNXQPSDRIKT-BMRXWSCTSA-N 1 1 335.448 0.825 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001028468305 752764364 /nfs/dbraw/zinc/76/43/64/752764364.db2.gz SBHXOLGPJJGNPF-CJNGLKHVSA-N 1 1 341.415 0.725 20 30 ECEDMO COc1nccc(C[N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028489030 752825500 /nfs/dbraw/zinc/82/55/00/752825500.db2.gz RMEKHFGKTPIDTE-GFCCVEGCSA-N 1 1 340.387 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cscn2)C1 ZINC000982540789 752826739 /nfs/dbraw/zinc/82/67/39/752826739.db2.gz XJKNEPDIDJCEKR-ZFWWWQNUSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cscn2)C1 ZINC000982540789 752826747 /nfs/dbraw/zinc/82/67/47/752826747.db2.gz XJKNEPDIDJCEKR-ZFWWWQNUSA-N 1 1 346.456 0.819 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001028490610 752830810 /nfs/dbraw/zinc/83/08/10/752830810.db2.gz MTWPPGCXXZRIAN-ROUUACIJSA-N 1 1 342.443 0.827 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)[nH]1 ZINC001028487292 752832275 /nfs/dbraw/zinc/83/22/75/752832275.db2.gz URGOYPCIZNDDKE-CYBMUJFWSA-N 1 1 329.404 0.560 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)c[nH]1 ZINC001028491775 752835663 /nfs/dbraw/zinc/83/56/63/752835663.db2.gz LCFKXIHKFIXVKT-GFCCVEGCSA-N 1 1 343.387 0.087 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 ZINC001007720138 752857155 /nfs/dbraw/zinc/85/71/55/752857155.db2.gz WOSHHVZPZOXKEE-CXAGYDPISA-N 1 1 345.403 0.332 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C3CCOCC3)n2)[C@@H](O)C1 ZINC001083461274 752883727 /nfs/dbraw/zinc/88/37/27/752883727.db2.gz VJCLTUASFUWMAI-SJORKVTESA-N 1 1 348.447 0.976 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001007751688 752895999 /nfs/dbraw/zinc/89/59/99/752895999.db2.gz ANCCZNJUADFHNX-BBRMVZONSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001007751688 752896004 /nfs/dbraw/zinc/89/60/04/752896004.db2.gz ANCCZNJUADFHNX-BBRMVZONSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000988804318 752902578 /nfs/dbraw/zinc/90/25/78/752902578.db2.gz NCZHSWOPWVKHQB-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000988804318 752902584 /nfs/dbraw/zinc/90/25/84/752902584.db2.gz NCZHSWOPWVKHQB-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001007757354 752902818 /nfs/dbraw/zinc/90/28/18/752902818.db2.gz ZMFRLJKUWNNVFG-LBPRGKRZSA-N 1 1 330.417 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000982559312 752903021 /nfs/dbraw/zinc/90/30/21/752903021.db2.gz NCZNKLWKYRXKAG-HOCLYGCPSA-N 1 1 344.415 0.279 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000982559312 752903027 /nfs/dbraw/zinc/90/30/27/752903027.db2.gz NCZNKLWKYRXKAG-HOCLYGCPSA-N 1 1 344.415 0.279 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@]2(C)C1 ZINC000982600121 753024508 /nfs/dbraw/zinc/02/45/08/753024508.db2.gz UKHMFCFJRZJDHQ-AFAVFJNCSA-N 1 1 334.420 0.331 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000991617371 762182215 /nfs/dbraw/zinc/18/22/15/762182215.db2.gz XQTXYARXLYZIEY-UHFFFAOYSA-N 1 1 340.387 0.847 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC001126378419 753065662 /nfs/dbraw/zinc/06/56/62/753065662.db2.gz MKZRBGXDVQASON-ZDUSSCGKSA-N 1 1 334.342 0.972 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cnnn3CC)C2)C1=O ZINC001028526058 753066215 /nfs/dbraw/zinc/06/62/15/753066215.db2.gz OSXYTHNUQDLBPS-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCC#N)CC2)CC1 ZINC000426440774 753084004 /nfs/dbraw/zinc/08/40/04/753084004.db2.gz AHJJHNBDICUFAH-UHFFFAOYSA-N 1 1 335.452 0.876 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028536165 753095260 /nfs/dbraw/zinc/09/52/60/753095260.db2.gz NIOAKAKHDFNEAR-UONOGXRCSA-N 1 1 331.420 0.777 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3nnnc3C(C)C)C[C@@]2(C)C1 ZINC000982631190 753129822 /nfs/dbraw/zinc/12/98/22/753129822.db2.gz UPCQRSFYSAYMRN-CALCHBBNSA-N 1 1 330.436 0.600 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3CS(=O)(=O)C3)C2)cc1 ZINC001028563461 753149277 /nfs/dbraw/zinc/14/92/77/753149277.db2.gz JKKKWRXWJVVGBA-HNNXBMFYSA-N 1 1 347.440 0.541 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3CS(=O)(=O)C3)C2)cc1 ZINC001028563461 753149278 /nfs/dbraw/zinc/14/92/78/753149278.db2.gz JKKKWRXWJVVGBA-HNNXBMFYSA-N 1 1 347.440 0.541 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)NC[C@](C)(O)c1cccs1 ZINC000261747320 753178604 /nfs/dbraw/zinc/17/86/04/753178604.db2.gz NBZDQJFIXZRSKD-CJNGLKHVSA-N 1 1 339.509 0.366 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000989064717 753202123 /nfs/dbraw/zinc/20/21/23/753202123.db2.gz JZYVOKRIZXXBNJ-IKGGRYGDSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2CC(OC)C2)C1 ZINC000989066248 753203954 /nfs/dbraw/zinc/20/39/54/753203954.db2.gz VMEAPDWMYNOSLV-XGHPGWEVSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2CC(OC)C2)C1 ZINC000989066248 753203961 /nfs/dbraw/zinc/20/39/61/753203961.db2.gz VMEAPDWMYNOSLV-XGHPGWEVSA-N 1 1 347.459 0.616 20 30 ECEDMO O=C(CCn1cnnn1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000982658917 753233409 /nfs/dbraw/zinc/23/34/09/753233409.db2.gz DPHIOHNLQZIXTM-UHFFFAOYSA-N 1 1 338.415 0.649 20 30 ECEDMO O=C(CCn1cnnn1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000982658917 753233417 /nfs/dbraw/zinc/23/34/17/753233417.db2.gz DPHIOHNLQZIXTM-UHFFFAOYSA-N 1 1 338.415 0.649 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001008118778 753334118 /nfs/dbraw/zinc/33/41/18/753334118.db2.gz BLAMSEGPYSJWNM-CYBMUJFWSA-N 1 1 344.423 0.854 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000982700039 753353485 /nfs/dbraw/zinc/35/34/85/753353485.db2.gz TYWHLZKFABQUJA-GJZGRUSLSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000982700039 753353493 /nfs/dbraw/zinc/35/34/93/753353493.db2.gz TYWHLZKFABQUJA-GJZGRUSLSA-N 1 1 335.448 0.210 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC001051495170 762207820 /nfs/dbraw/zinc/20/78/20/762207820.db2.gz RMSFHKNKCUSGNQ-OLZOCXBDSA-N 1 1 334.424 0.510 20 30 ECEDMO CCCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 ZINC001051495414 762208496 /nfs/dbraw/zinc/20/84/96/762208496.db2.gz ULALQSXJQGIODY-TZMCWYRMSA-N 1 1 334.424 0.473 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc3n2CCCCC3)C1 ZINC001051495775 762209435 /nfs/dbraw/zinc/20/94/35/762209435.db2.gz YAHNVJNJIVZVJJ-KGLIPLIRSA-N 1 1 346.435 0.481 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)ncn2)[C@@H]1C ZINC001088631658 753430918 /nfs/dbraw/zinc/43/09/18/753430918.db2.gz YGJBCKOSYHLJBG-NJAFHUGGSA-N 1 1 341.459 0.962 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ncn2)[C@@H]1C ZINC001088631658 753430920 /nfs/dbraw/zinc/43/09/20/753430920.db2.gz YGJBCKOSYHLJBG-NJAFHUGGSA-N 1 1 341.459 0.962 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3nc(C)ccc3=O)C[C@@]2(C)C1 ZINC000982752181 753482965 /nfs/dbraw/zinc/48/29/65/753482965.db2.gz IIRQQEXWMUVFBH-HDICACEKSA-N 1 1 328.416 0.355 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2ncc(C#N)cc2Cl)C1 ZINC001105852829 762221107 /nfs/dbraw/zinc/22/11/07/762221107.db2.gz AKQFKKLEQYADRC-NWDGAFQWSA-N 1 1 337.811 0.447 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000982778522 753533167 /nfs/dbraw/zinc/53/31/67/753533167.db2.gz IUWBNBKZCFXFFD-ZDUSSCGKSA-N 1 1 340.387 0.670 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)O1 ZINC001008287742 753550663 /nfs/dbraw/zinc/55/06/63/753550663.db2.gz OOAYJJHZUOURLG-FVQBIDKESA-N 1 1 347.459 0.472 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)O1 ZINC001008287742 753550667 /nfs/dbraw/zinc/55/06/67/753550667.db2.gz OOAYJJHZUOURLG-FVQBIDKESA-N 1 1 347.459 0.472 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)[nH]n1 ZINC001083356998 753663383 /nfs/dbraw/zinc/66/33/83/753663383.db2.gz VTRYUZWQDWKBBS-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)[nH]n1 ZINC001083356998 753663384 /nfs/dbraw/zinc/66/33/84/753663384.db2.gz VTRYUZWQDWKBBS-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001083368115 753702084 /nfs/dbraw/zinc/70/20/84/753702084.db2.gz CZRRMBOFHBRCIT-IKGGRYGDSA-N 1 1 346.406 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC23CC3)C1 ZINC000989371567 753710061 /nfs/dbraw/zinc/71/00/61/753710061.db2.gz FBCPMBFCRZBXEZ-JYJNAYRXSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC23CC3)C1 ZINC000989371567 753710065 /nfs/dbraw/zinc/71/00/65/753710065.db2.gz FBCPMBFCRZBXEZ-JYJNAYRXSA-N 1 1 329.444 0.991 20 30 ECEDMO N#Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3ccn[nH]3)CCO2)c1 ZINC001051507111 762238816 /nfs/dbraw/zinc/23/88/16/762238816.db2.gz ITECFBLJPWYEPH-QGZVFWFLSA-N 1 1 339.399 0.841 20 30 ECEDMO Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)c(C)n1 ZINC001083392593 753794649 /nfs/dbraw/zinc/79/46/49/753794649.db2.gz PYMONZDXDBLNKD-SJORKVTESA-N 1 1 339.399 0.873 20 30 ECEDMO Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)c(C)n1 ZINC001083392593 753794651 /nfs/dbraw/zinc/79/46/51/753794651.db2.gz PYMONZDXDBLNKD-SJORKVTESA-N 1 1 339.399 0.873 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2cncc(C#N)n2)CC[N@H+]1C ZINC001105533400 753802362 /nfs/dbraw/zinc/80/23/62/753802362.db2.gz RIIRWIOVJIZQSS-KBPBESRZSA-N 1 1 330.436 0.973 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3cc[nH]c(=O)c3)[C@@H](O)C2)c1 ZINC001083396883 753812941 /nfs/dbraw/zinc/81/29/41/753812941.db2.gz JRCRGGVBYCDHPY-CVEARBPZSA-N 1 1 338.367 0.634 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3cc[nH]c(=O)c3)[C@@H](O)C2)c1 ZINC001083396883 753812947 /nfs/dbraw/zinc/81/29/47/753812947.db2.gz JRCRGGVBYCDHPY-CVEARBPZSA-N 1 1 338.367 0.634 20 30 ECEDMO C=C[C@@H](C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1)c1ccccc1 ZINC001105375866 753839136 /nfs/dbraw/zinc/83/91/36/753839136.db2.gz SDPAVORVPDPZCG-QGZVFWFLSA-N 1 1 341.415 0.713 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000982822399 753861121 /nfs/dbraw/zinc/86/11/21/753861121.db2.gz YVYDTMCBZGPPDS-DVOMOZLQSA-N 1 1 343.431 0.805 20 30 ECEDMO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583370 753865315 /nfs/dbraw/zinc/86/53/15/753865315.db2.gz VUPSXRWYSYTPBT-HUUCEWRRSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583369 753866178 /nfs/dbraw/zinc/86/61/78/753866178.db2.gz VUPSXRWYSYTPBT-GJZGRUSLSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cnn(CC)n2)C1 ZINC001028601035 753877032 /nfs/dbraw/zinc/87/70/32/753877032.db2.gz HOJQBWYGPWWUCE-RDJZCZTQSA-N 1 1 344.463 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cnn(CC)n2)C1 ZINC001028601035 753877040 /nfs/dbraw/zinc/87/70/40/753877040.db2.gz HOJQBWYGPWWUCE-RDJZCZTQSA-N 1 1 344.463 0.334 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001028601722 753882639 /nfs/dbraw/zinc/88/26/39/753882639.db2.gz UEFSREZMCYYIMF-WBVHZDCISA-N 1 1 329.448 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000982859208 754011267 /nfs/dbraw/zinc/01/12/67/754011267.db2.gz HUFSBWTWVKIORY-ZBFHGGJFSA-N 1 1 328.416 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000982859208 754011273 /nfs/dbraw/zinc/01/12/73/754011273.db2.gz HUFSBWTWVKIORY-ZBFHGGJFSA-N 1 1 328.416 0.691 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)N3CCCCC3=O)C2)nn1 ZINC001105376716 754047220 /nfs/dbraw/zinc/04/72/20/754047220.db2.gz DHRGQINKCCKBRP-ZDUSSCGKSA-N 1 1 346.435 0.338 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(NC(=O)C(F)F)CCC[C@@H]12 ZINC001014123292 762266580 /nfs/dbraw/zinc/26/65/80/762266580.db2.gz FNTRFCJAYKFDNI-AHIWAGSCSA-N 1 1 339.386 0.989 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(NC(=O)C(F)F)CCC[C@@H]12 ZINC001014123292 762266587 /nfs/dbraw/zinc/26/65/87/762266587.db2.gz FNTRFCJAYKFDNI-AHIWAGSCSA-N 1 1 339.386 0.989 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3ncc(C)cn3)C[C@@H]2C)nn1 ZINC000989537684 754086788 /nfs/dbraw/zinc/08/67/88/754086788.db2.gz WKMLPULKNAEFST-UONOGXRCSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nncn3C)C[C@H]2C)nn1 ZINC000989544077 754093182 /nfs/dbraw/zinc/09/31/82/754093182.db2.gz OUVFBVGIKXDULM-OLZOCXBDSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3ncnn3C)C[C@H]2C)nn1 ZINC000989544813 754093864 /nfs/dbraw/zinc/09/38/64/754093864.db2.gz XUJSCRQARKCWKK-CHWSQXEVSA-N 1 1 344.423 0.376 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC001075944458 754105921 /nfs/dbraw/zinc/10/59/21/754105921.db2.gz BGZQMGDQTUUIPI-DZGCQCFKSA-N 1 1 336.457 0.367 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC001075944458 754105923 /nfs/dbraw/zinc/10/59/23/754105923.db2.gz BGZQMGDQTUUIPI-DZGCQCFKSA-N 1 1 336.457 0.367 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028638964 754133802 /nfs/dbraw/zinc/13/38/02/754133802.db2.gz PVQMYLSRCOCRCY-NSHDSACASA-N 1 1 325.390 0.002 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000989607335 754189294 /nfs/dbraw/zinc/18/92/94/754189294.db2.gz MTMYWRAWQBKELA-UHFFFAOYSA-N 1 1 336.436 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C2=COCCC2)C1 ZINC000982919901 754196474 /nfs/dbraw/zinc/19/64/74/754196474.db2.gz AXOADQXTHQZLMW-RDJZCZTQSA-N 1 1 345.443 0.743 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C2=COCCC2)C1 ZINC000982919901 754196476 /nfs/dbraw/zinc/19/64/76/754196476.db2.gz AXOADQXTHQZLMW-RDJZCZTQSA-N 1 1 345.443 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2c[nH]nc2C)C1 ZINC000982923523 754210629 /nfs/dbraw/zinc/21/06/29/754210629.db2.gz PVAWQKDFENECBK-ZBFHGGJFSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2c[nH]nc2C)C1 ZINC000982923523 754210634 /nfs/dbraw/zinc/21/06/34/754210634.db2.gz PVAWQKDFENECBK-ZBFHGGJFSA-N 1 1 343.431 0.394 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000983053514 754514644 /nfs/dbraw/zinc/51/46/44/754514644.db2.gz HWZXXOPBTMVPJS-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(NC[C@@H]2CN(C)CCN2C)=[NH+]C)C1 ZINC000088645735 754574896 /nfs/dbraw/zinc/57/48/96/754574896.db2.gz WUMUCTMAXBCWSH-HUUCEWRRSA-N 1 1 339.484 0.083 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000983091550 754602416 /nfs/dbraw/zinc/60/24/16/754602416.db2.gz RMOXJEHGERLDJC-OAHLLOKOSA-N 1 1 331.420 0.486 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000983091550 754602419 /nfs/dbraw/zinc/60/24/19/754602419.db2.gz RMOXJEHGERLDJC-OAHLLOKOSA-N 1 1 331.420 0.486 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 ZINC001105872928 762318634 /nfs/dbraw/zinc/31/86/34/762318634.db2.gz FVZCOXAKPDBJPN-LSDHHAIUSA-N 1 1 346.435 0.420 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001009221216 754672161 /nfs/dbraw/zinc/67/21/61/754672161.db2.gz JKXAZFKAQCNSSH-ZRJCITRHSA-N 1 1 345.403 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cc(F)c[nH]3)C2)C1=O ZINC001028697526 754703039 /nfs/dbraw/zinc/70/30/39/754703039.db2.gz QOGAOYVIOBLSEM-DOMZBBRYSA-N 1 1 334.395 0.992 20 30 ECEDMO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccn[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105611574 754741986 /nfs/dbraw/zinc/74/19/86/754741986.db2.gz SYMCTPABGZXGER-PSBWJHGTSA-N 1 1 344.459 0.942 20 30 ECEDMO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ccn[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105611516 754750071 /nfs/dbraw/zinc/75/00/71/754750071.db2.gz SCZGWQWMMDGAOZ-ZAWLATJESA-N 1 1 344.459 0.942 20 30 ECEDMO Cc1nc([C@H](C)NC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n[nH]1 ZINC001051555498 762330487 /nfs/dbraw/zinc/33/04/87/762330487.db2.gz NIMHGCQPZPIVGU-GXFFZTMASA-N 1 1 343.391 0.505 20 30 ECEDMO Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)[nH]1 ZINC001051555498 762330491 /nfs/dbraw/zinc/33/04/91/762330491.db2.gz NIMHGCQPZPIVGU-GXFFZTMASA-N 1 1 343.391 0.505 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001028707818 754778561 /nfs/dbraw/zinc/77/85/61/754778561.db2.gz XVWPJSFVGDCMQZ-AWEZNQCLSA-N 1 1 327.388 0.994 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001009351420 754797449 /nfs/dbraw/zinc/79/74/49/754797449.db2.gz JEGNJTHNIBEADU-WMLDXEAASA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001009351420 754797451 /nfs/dbraw/zinc/79/74/51/754797451.db2.gz JEGNJTHNIBEADU-WMLDXEAASA-N 1 1 327.428 0.926 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1)c1ncccn1 ZINC001051563230 762345860 /nfs/dbraw/zinc/34/58/60/762345860.db2.gz QLEZHWZYRXACAR-IUODEOHRSA-N 1 1 340.387 0.868 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001028739742 754940803 /nfs/dbraw/zinc/94/08/03/754940803.db2.gz IHDKBESBGUECKG-QWRGUYRKSA-N 1 1 345.241 0.357 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001028739742 754940807 /nfs/dbraw/zinc/94/08/07/754940807.db2.gz IHDKBESBGUECKG-QWRGUYRKSA-N 1 1 345.241 0.357 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001028740869 754945480 /nfs/dbraw/zinc/94/54/80/754945480.db2.gz TWUWXJFOESAVHF-JKSUJKDBSA-N 1 1 341.415 0.520 20 30 ECEDMO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1=O ZINC001028742680 754950113 /nfs/dbraw/zinc/95/01/13/754950113.db2.gz ZRTKCEGGTMQTJK-IRXDYDNUSA-N 1 1 340.427 0.975 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 ZINC001075948824 755048144 /nfs/dbraw/zinc/04/81/44/755048144.db2.gz JUXKFRJXFBNUBW-LOWDOPEQSA-N 1 1 332.322 0.499 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)cc1 ZINC001028773844 755062665 /nfs/dbraw/zinc/06/26/65/755062665.db2.gz OFFNMXYLLFWYDP-HUUCEWRRSA-N 1 1 327.388 0.178 20 30 ECEDMO CN1CCC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC001075700256 755067735 /nfs/dbraw/zinc/06/77/35/755067735.db2.gz IJYFZUIFSLBTGV-VBNZEHGJSA-N 1 1 341.415 0.653 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001028793305 755142780 /nfs/dbraw/zinc/14/27/80/755142780.db2.gz VEOYUPUVGUNEFK-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](CNc3ccncc3C#N)C2)C1 ZINC001060034497 755160391 /nfs/dbraw/zinc/16/03/91/755160391.db2.gz JYTPGNSVEMBNDC-HUUCEWRRSA-N 1 1 327.432 0.977 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CCC[C@H](N(C)c2cc(C)[nH+]c(C)n2)C1 ZINC001098689787 755187083 /nfs/dbraw/zinc/18/70/83/755187083.db2.gz ILRAFVQTMRDGDA-HNNXBMFYSA-N 1 1 343.431 0.660 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)s1 ZINC001028807680 755192937 /nfs/dbraw/zinc/19/29/37/755192937.db2.gz PKHIZRKCOATIJH-HONMWMINSA-N 1 1 332.429 0.679 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2ccnc(C#N)n2)C1 ZINC001060308230 762378530 /nfs/dbraw/zinc/37/85/30/762378530.db2.gz UVFUGQQAXJRFDB-LSDHHAIUSA-N 1 1 342.447 0.905 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001028864075 755335134 /nfs/dbraw/zinc/33/51/34/755335134.db2.gz JOLLWNDZTQKWPI-QRTARXTBSA-N 1 1 335.448 0.684 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ncccn3)C2)C1=O ZINC001028881904 755380603 /nfs/dbraw/zinc/38/06/03/755380603.db2.gz DYOBEAXEXNFHQY-ZIAGYGMSSA-N 1 1 329.404 0.315 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001009768831 755382774 /nfs/dbraw/zinc/38/27/74/755382774.db2.gz QRNFMQLUXBBQOY-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001009768831 755382778 /nfs/dbraw/zinc/38/27/78/755382778.db2.gz QRNFMQLUXBBQOY-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001028918687 755477464 /nfs/dbraw/zinc/47/74/64/755477464.db2.gz LDGFRNQMQHZDTE-ZIAGYGMSSA-N 1 1 344.415 0.587 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cc(C)on1 ZINC001075970948 755521380 /nfs/dbraw/zinc/52/13/80/755521380.db2.gz JXVNFUDTCHGDCX-BBRMVZONSA-N 1 1 346.431 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cc(C)on1 ZINC001075970948 755521385 /nfs/dbraw/zinc/52/13/85/755521385.db2.gz JXVNFUDTCHGDCX-BBRMVZONSA-N 1 1 346.431 0.634 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1 ZINC001075985853 755565802 /nfs/dbraw/zinc/56/58/02/755565802.db2.gz ULINNJFMYAHEFK-GOEBONIOSA-N 1 1 331.416 0.827 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001060063329 755689164 /nfs/dbraw/zinc/68/91/64/755689164.db2.gz JBADUPRZQNHUPP-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001060063329 755689166 /nfs/dbraw/zinc/68/91/66/755689166.db2.gz JBADUPRZQNHUPP-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@H]12 ZINC000990711208 755705122 /nfs/dbraw/zinc/70/51/22/755705122.db2.gz LZFXZTPYVQSAFR-LIRRHRJNSA-N 1 1 345.443 0.908 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3cccnc3)C2)nn1 ZINC001098657757 755719760 /nfs/dbraw/zinc/71/97/60/755719760.db2.gz ZVQKLGQOILLACN-MRXNPFEDSA-N 1 1 326.404 0.965 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@@H]12 ZINC000990714907 755726416 /nfs/dbraw/zinc/72/64/16/755726416.db2.gz UMQMGJXNXUMVKM-AUUYWEPGSA-N 1 1 345.443 0.908 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(CC)c(CC)n[nH]c2=O)[C@@H](O)C1 ZINC001083500670 755740561 /nfs/dbraw/zinc/74/05/61/755740561.db2.gz CWEWPZXEYVBPIO-KGLIPLIRSA-N 1 1 334.420 0.658 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)[C@@H](O)C1 ZINC001083503760 755761140 /nfs/dbraw/zinc/76/11/40/755761140.db2.gz BECKFMJADYYPMU-IMJJTQAJSA-N 1 1 335.448 0.208 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@@H](O)C1 ZINC001083517068 755848804 /nfs/dbraw/zinc/84/88/04/755848804.db2.gz JROZGMOKOWHYFF-NEPJUHHUSA-N 1 1 331.376 0.025 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@H]12 ZINC000990767117 755853494 /nfs/dbraw/zinc/85/34/94/755853494.db2.gz XFHLZBLFPNYDGQ-BLLLJJGKSA-N 1 1 332.408 0.066 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CCCCO2)C1 ZINC000990767447 755854743 /nfs/dbraw/zinc/85/47/43/755854743.db2.gz IMZVVWZWWILGAZ-HOTGVXAUSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CCCCO2)C1 ZINC000990767447 755854746 /nfs/dbraw/zinc/85/47/46/755854746.db2.gz IMZVVWZWWILGAZ-HOTGVXAUSA-N 1 1 333.432 0.370 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccccc3O)C2)C1=O ZINC001010266895 755909809 /nfs/dbraw/zinc/90/98/09/755909809.db2.gz HOSXDQBLANTEHV-ZFWWWQNUSA-N 1 1 329.400 0.983 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccccc3O)C2)C1=O ZINC001010266895 755909812 /nfs/dbraw/zinc/90/98/12/755909812.db2.gz HOSXDQBLANTEHV-ZFWWWQNUSA-N 1 1 329.400 0.983 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CC(=O)NC)CC1 ZINC001105678826 755936809 /nfs/dbraw/zinc/93/68/09/755936809.db2.gz QCDTWVDTQGOFOH-IYBDPMFKSA-N 1 1 334.464 0.448 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@@H]1O ZINC001083535476 755972518 /nfs/dbraw/zinc/97/25/18/755972518.db2.gz SQCLZBXDRCCGRA-QYZOEREBSA-N 1 1 341.455 0.754 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@@H]1O ZINC001083535823 755976344 /nfs/dbraw/zinc/97/63/44/755976344.db2.gz OFRCXGSGLQTAGG-QYZOEREBSA-N 1 1 341.455 0.754 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2ncccn2)[C@@H](O)C1 ZINC001083539434 756026108 /nfs/dbraw/zinc/02/61/08/756026108.db2.gz XWZOUZAOUXMWIG-KFWWJZLASA-N 1 1 331.420 0.183 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCn3ccnn3)C2)nn1 ZINC001098661315 756036384 /nfs/dbraw/zinc/03/63/84/756036384.db2.gz JOUWPSTVUKUOPI-AWEZNQCLSA-N 1 1 330.396 0.009 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001076058170 756042469 /nfs/dbraw/zinc/04/24/69/756042469.db2.gz WGJUGYAUTJFUAG-JJXSEGSLSA-N 1 1 335.448 0.908 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nc(C)nn4C3)[C@@H]2C1 ZINC001076079413 756069970 /nfs/dbraw/zinc/06/99/70/756069970.db2.gz VHSXALKPWHVNTJ-HRCADAONSA-N 1 1 327.432 0.705 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)[C@@H]2C1 ZINC001076109315 756095267 /nfs/dbraw/zinc/09/52/67/756095267.db2.gz CIMIPGKPNQRRIM-NWDGAFQWSA-N 1 1 328.380 0.026 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cncc(C)c3)C2)C1=O ZINC001010427635 756124249 /nfs/dbraw/zinc/12/42/49/756124249.db2.gz JWYYWKQOXXACSK-HZPDHXFCSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cncc(C)c3)C2)C1=O ZINC001010427635 756124252 /nfs/dbraw/zinc/12/42/52/756124252.db2.gz JWYYWKQOXXACSK-HZPDHXFCSA-N 1 1 328.416 0.981 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)c1 ZINC001010457812 756151918 /nfs/dbraw/zinc/15/19/18/756151918.db2.gz ODDUPYRRTDPDFY-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)c1 ZINC001010457812 756151919 /nfs/dbraw/zinc/15/19/19/756151919.db2.gz ODDUPYRRTDPDFY-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CCOC)nn2)C1 ZINC001098662136 756155635 /nfs/dbraw/zinc/15/56/35/756155635.db2.gz XVPMSGAOKZWVTC-INIZCTEOSA-N 1 1 333.436 0.981 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001076183158 756181178 /nfs/dbraw/zinc/18/11/78/756181178.db2.gz NLLDDWMFXITPKJ-NSHDSACASA-N 1 1 328.376 0.716 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)ccc1F ZINC001010501038 756189063 /nfs/dbraw/zinc/18/90/63/756189063.db2.gz ZSHCRDYYWURJSM-DZGCQCFKSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)ccc1F ZINC001010501038 756189065 /nfs/dbraw/zinc/18/90/65/756189065.db2.gz ZSHCRDYYWURJSM-DZGCQCFKSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)CSC)C2)C1 ZINC001010513673 756198347 /nfs/dbraw/zinc/19/83/47/756198347.db2.gz ZISDNQDORRSYKB-HNNXBMFYSA-N 1 1 349.500 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)CSC)C2)C1 ZINC001010513673 756198351 /nfs/dbraw/zinc/19/83/51/756198351.db2.gz ZISDNQDORRSYKB-HNNXBMFYSA-N 1 1 349.500 0.898 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)s1 ZINC001076196338 756202532 /nfs/dbraw/zinc/20/25/32/756202532.db2.gz BGPRFVPQRJWRHY-ZLKJLUDKSA-N 1 1 345.428 0.334 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)s1 ZINC001076196338 756202536 /nfs/dbraw/zinc/20/25/36/756202536.db2.gz BGPRFVPQRJWRHY-ZLKJLUDKSA-N 1 1 345.428 0.334 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)[C@@H]2C1 ZINC001076243681 756274109 /nfs/dbraw/zinc/27/41/09/756274109.db2.gz CQBCBZIHNZXCCZ-DZGCQCFKSA-N 1 1 330.432 0.855 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCOCC1 ZINC001076321537 756369435 /nfs/dbraw/zinc/36/94/35/756369435.db2.gz JLWDBAJSHZXAKZ-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCOCC1 ZINC001076321537 756369440 /nfs/dbraw/zinc/36/94/40/756369440.db2.gz JLWDBAJSHZXAKZ-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)cc1F ZINC001010666771 756371062 /nfs/dbraw/zinc/37/10/62/756371062.db2.gz DWWNIMYQIPPBDD-INIZCTEOSA-N 1 1 346.406 0.720 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)cc1F ZINC001010666771 756371066 /nfs/dbraw/zinc/37/10/66/756371066.db2.gz DWWNIMYQIPPBDD-INIZCTEOSA-N 1 1 346.406 0.720 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]32)nn1 ZINC001076334634 756375093 /nfs/dbraw/zinc/37/50/93/756375093.db2.gz BIPXXSCUKFBELZ-GOEBONIOSA-N 1 1 341.419 0.544 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cnn(C)c4)C[C@H]32)nn1 ZINC001076334634 756375099 /nfs/dbraw/zinc/37/50/99/756375099.db2.gz BIPXXSCUKFBELZ-GOEBONIOSA-N 1 1 341.419 0.544 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)CCCO3)[C@@H](O)C1 ZINC001083547468 756463090 /nfs/dbraw/zinc/46/30/90/756463090.db2.gz MRFJOXCXSRJPOY-SJORKVTESA-N 1 1 328.412 0.739 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)CCCO3)[C@@H](O)C1 ZINC001083547468 756463092 /nfs/dbraw/zinc/46/30/92/756463092.db2.gz MRFJOXCXSRJPOY-SJORKVTESA-N 1 1 328.412 0.739 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4nnc[nH]4)[C@@H]3C2)c1 ZINC001076443428 756504848 /nfs/dbraw/zinc/50/48/48/756504848.db2.gz LJHRGSJQCWZULZ-JKSUJKDBSA-N 1 1 336.399 0.952 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)[C@@H]2C1 ZINC001076438971 756515270 /nfs/dbraw/zinc/51/52/70/756515270.db2.gz XJCLNYBWAAEISJ-UONOGXRCSA-N 1 1 331.420 0.100 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nccc(C)n3)C2)nn1 ZINC001098663280 756517917 /nfs/dbraw/zinc/51/79/17/756517917.db2.gz BKTSAOPSKCYCTA-AWEZNQCLSA-N 1 1 327.392 0.739 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001010829412 756577202 /nfs/dbraw/zinc/57/72/02/756577202.db2.gz FRGKFUXQEBWJNV-CABCVRRESA-N 1 1 332.448 0.939 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCOC)nn2)C1 ZINC001098663608 756619087 /nfs/dbraw/zinc/61/90/87/756619087.db2.gz HMYWEGKELCZQCM-HOCLYGCPSA-N 1 1 337.424 0.115 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)[C@@H]2C1 ZINC001076565733 756649932 /nfs/dbraw/zinc/64/99/32/756649932.db2.gz CCYQGZZHPRPYEZ-GOEBONIOSA-N 1 1 328.416 0.898 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCC)n3)[C@@H]2C1 ZINC001076556325 756652356 /nfs/dbraw/zinc/65/23/56/756652356.db2.gz DAJCZTSEAHGAFK-GOEBONIOSA-N 1 1 328.416 0.823 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1c1cncc(C#N)n1 ZINC001060125276 756692205 /nfs/dbraw/zinc/69/22/05/756692205.db2.gz PLRDPJLFWHDXDQ-LSDHHAIUSA-N 1 1 328.420 0.918 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)Cn2cc[nH+]c2C)nc1 ZINC001076598870 756714763 /nfs/dbraw/zinc/71/47/63/756714763.db2.gz SGDHSHLVTPWVDV-ZDUSSCGKSA-N 1 1 339.399 0.893 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)COc3cccc(C(N)=O)c3)[C@@H]2C1 ZINC001076601765 756719398 /nfs/dbraw/zinc/71/93/98/756719398.db2.gz HQUZLAWXFPBLEI-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO C[N@@H+](CC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1)C1CCC1 ZINC001011026551 756787792 /nfs/dbraw/zinc/78/77/92/756787792.db2.gz AHPAEXBVBHQAQP-UHFFFAOYSA-N 1 1 329.404 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccc(C)o2)C1 ZINC000990912553 756832796 /nfs/dbraw/zinc/83/27/96/756832796.db2.gz MBWNAKQPPXAVOP-INIZCTEOSA-N 1 1 329.400 0.555 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccc(C)o2)C1 ZINC000990912553 756832806 /nfs/dbraw/zinc/83/28/06/756832806.db2.gz MBWNAKQPPXAVOP-INIZCTEOSA-N 1 1 329.400 0.555 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CC(OCC)C2)CC1 ZINC001011085598 756899958 /nfs/dbraw/zinc/89/99/58/756899958.db2.gz SZQVXGGIPNQVGK-JCYILVPMSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CC(OCC)C2)CC1 ZINC001011085598 756899964 /nfs/dbraw/zinc/89/99/64/756899964.db2.gz SZQVXGGIPNQVGK-JCYILVPMSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC(=O)N(CCOC)C3)CCC[C@H]12 ZINC000990933923 756906198 /nfs/dbraw/zinc/90/61/98/756906198.db2.gz HVCOPKHYAQRZFF-RLFYNMQTSA-N 1 1 333.432 0.228 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001011107480 756937478 /nfs/dbraw/zinc/93/74/78/756937478.db2.gz IGTRJMFTDQIGPQ-INIZCTEOSA-N 1 1 333.432 0.180 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001011107480 756937483 /nfs/dbraw/zinc/93/74/83/756937483.db2.gz IGTRJMFTDQIGPQ-INIZCTEOSA-N 1 1 333.432 0.180 20 30 ECEDMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)n1 ZINC001048771503 756944553 /nfs/dbraw/zinc/94/45/53/756944553.db2.gz NLUCJEDMIZRGFX-TXEJJXNPSA-N 1 1 325.376 0.219 20 30 ECEDMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)n1 ZINC001048771503 756944556 /nfs/dbraw/zinc/94/45/56/756944556.db2.gz NLUCJEDMIZRGFX-TXEJJXNPSA-N 1 1 325.376 0.219 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nn(C)cc2C)CC1 ZINC001011117413 756958910 /nfs/dbraw/zinc/95/89/10/756958910.db2.gz QEFLXPFAPIGZFC-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nn(C)cc2C)CC1 ZINC001011117413 756958914 /nfs/dbraw/zinc/95/89/14/756958914.db2.gz QEFLXPFAPIGZFC-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)c(OC)c2C)[C@@H](O)C1 ZINC001083553531 757015221 /nfs/dbraw/zinc/01/52/21/757015221.db2.gz IYTVYJPOWIHETP-CABCVRRESA-N 1 1 332.400 0.810 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)c(OC)c2C)[C@@H](O)C1 ZINC001083553531 757015225 /nfs/dbraw/zinc/01/52/25/757015225.db2.gz IYTVYJPOWIHETP-CABCVRRESA-N 1 1 332.400 0.810 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC001011155470 757049205 /nfs/dbraw/zinc/04/92/05/757049205.db2.gz UGJSEUQAIUMQPO-OAHLLOKOSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CC4(F)F)C[C@H]3C2)C1=O ZINC001048807235 757059884 /nfs/dbraw/zinc/05/98/84/757059884.db2.gz LYXJLUMTDOBVEK-RQJABVFESA-N 1 1 339.386 0.819 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001048813423 757077698 /nfs/dbraw/zinc/07/76/98/757077698.db2.gz BOTLWNMRPODEOI-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]n1 ZINC001076774474 757085673 /nfs/dbraw/zinc/08/56/73/757085673.db2.gz VTRYUZWQDWKBBS-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]n1 ZINC001076774474 757085679 /nfs/dbraw/zinc/08/56/79/757085679.db2.gz VTRYUZWQDWKBBS-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC001011168020 757099295 /nfs/dbraw/zinc/09/92/95/757099295.db2.gz CCFPGGVXRFQDRQ-SJORKVTESA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC001011168020 757099307 /nfs/dbraw/zinc/09/93/07/757099307.db2.gz CCFPGGVXRFQDRQ-SJORKVTESA-N 1 1 347.459 0.572 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001048826886 757122448 /nfs/dbraw/zinc/12/24/48/757122448.db2.gz MSCYFYZNRPRBTN-QXSJWSMHSA-N 1 1 335.448 0.446 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cccc(OCC(N)=O)c3)C[C@H]2C1 ZINC001048848892 757174571 /nfs/dbraw/zinc/17/45/71/757174571.db2.gz XLCJBIHDLIOJFB-IYBDPMFKSA-N 1 1 341.411 0.578 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@H]2C1 ZINC001048848795 757174910 /nfs/dbraw/zinc/17/49/10/757174910.db2.gz UVPKXAVYXZROCF-OAGGEKHMSA-N 1 1 335.448 0.448 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@H]2C1 ZINC001048848872 757174948 /nfs/dbraw/zinc/17/49/48/757174948.db2.gz WSDVMKCDWONMBN-SOUVJXGZSA-N 1 1 333.432 0.880 20 30 ECEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048861466 757210522 /nfs/dbraw/zinc/21/05/22/757210522.db2.gz HXDAGYVTPBPAOG-KKUMJFAQSA-N 1 1 337.464 0.713 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3ccon3)C[C@H]2C1 ZINC001048868809 757234635 /nfs/dbraw/zinc/23/46/35/757234635.db2.gz OMEFMGAJTXMJDY-UXLLHSPISA-N 1 1 328.416 0.662 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3ccon3)C[C@H]2C1 ZINC001048868809 757234641 /nfs/dbraw/zinc/23/46/41/757234641.db2.gz OMEFMGAJTXMJDY-UXLLHSPISA-N 1 1 328.416 0.662 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@H]12 ZINC000990998618 757306530 /nfs/dbraw/zinc/30/65/30/757306530.db2.gz PFCLHOVYNYLAEH-HOCLYGCPSA-N 1 1 341.477 0.711 20 30 ECEDMO C=C(C)CN1CC(n2cc(CNC(=O)C[N@H+](C)C3CCC3)nn2)C1 ZINC001107179153 757356748 /nfs/dbraw/zinc/35/67/48/757356748.db2.gz DHEHZEFQPIFIPO-UHFFFAOYSA-N 1 1 332.452 0.811 20 30 ECEDMO Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001076855734 757397684 /nfs/dbraw/zinc/39/76/84/757397684.db2.gz KSFYFQAUHMBPEZ-HZPDHXFCSA-N 1 1 342.403 0.175 20 30 ECEDMO Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001076855734 757397703 /nfs/dbraw/zinc/39/77/03/757397703.db2.gz KSFYFQAUHMBPEZ-HZPDHXFCSA-N 1 1 342.403 0.175 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cccnc3)C2)cc1 ZINC001076891833 757486262 /nfs/dbraw/zinc/48/62/62/757486262.db2.gz CZPYDNKOWXOLAK-QZTJIDSGSA-N 1 1 336.395 0.857 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cccnc3)C2)cc1 ZINC001076891833 757486266 /nfs/dbraw/zinc/48/62/66/757486266.db2.gz CZPYDNKOWXOLAK-QZTJIDSGSA-N 1 1 336.395 0.857 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccnc2C)CC1 ZINC001011314244 757487127 /nfs/dbraw/zinc/48/71/27/757487127.db2.gz NYRFJRJBWXPDCS-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccnc2C)CC1 ZINC001011314244 757487136 /nfs/dbraw/zinc/48/71/36/757487136.db2.gz NYRFJRJBWXPDCS-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc(C)n2C)CC1 ZINC001011314705 757489630 /nfs/dbraw/zinc/48/96/30/757489630.db2.gz FUZQAAZCDLYCTN-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc(C)n2C)CC1 ZINC001011314705 757489634 /nfs/dbraw/zinc/48/96/34/757489634.db2.gz FUZQAAZCDLYCTN-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCCS3(=O)=O)C[C@H]2C1 ZINC001048960204 757520266 /nfs/dbraw/zinc/52/02/66/757520266.db2.gz WDVYGOFGSKVSKJ-ZNMIVQPWSA-N 1 1 326.462 0.920 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC001021557227 757598150 /nfs/dbraw/zinc/59/81/50/757598150.db2.gz FAVXAFHLCHEERV-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)nn1 ZINC001098676559 762565067 /nfs/dbraw/zinc/56/50/67/762565067.db2.gz PHTYDKWBOIKIFM-HUUCEWRRSA-N 1 1 335.408 0.133 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@H]2C1 ZINC001049007075 757673956 /nfs/dbraw/zinc/67/39/56/757673956.db2.gz RAJONSXJGVQWBK-SOUVJXGZSA-N 1 1 327.432 0.334 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2nccnc2C#N)C1 ZINC001107210030 757689439 /nfs/dbraw/zinc/68/94/39/757689439.db2.gz BNDVAWZVBJVWPH-RDFMZFSFSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2nccnc2C#N)C1 ZINC001107210030 757689440 /nfs/dbraw/zinc/68/94/40/757689440.db2.gz BNDVAWZVBJVWPH-RDFMZFSFSA-N 1 1 330.392 0.153 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)[C@H]3CCC(=O)N3)nn2)C1 ZINC001107212105 757743848 /nfs/dbraw/zinc/74/38/48/757743848.db2.gz OFHZSAQCWMRNOS-IUODEOHRSA-N 1 1 346.435 0.242 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)cc1 ZINC001021660465 757748044 /nfs/dbraw/zinc/74/80/44/757748044.db2.gz AMQAIYWJWYHULG-HZPDHXFCSA-N 1 1 326.400 0.856 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]3C[N@@H+](CCCO)CC[C@@H]32)nn1 ZINC001021685990 757781092 /nfs/dbraw/zinc/78/10/92/757781092.db2.gz WCPCDLCUFQTRBW-ZBFHGGJFSA-N 1 1 333.436 0.773 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cnccc2=O)C1 ZINC001021704374 757825980 /nfs/dbraw/zinc/82/59/80/757825980.db2.gz SCGZLOACMUPOSH-IAGOWNOFSA-N 1 1 342.443 0.970 20 30 ECEDMO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001076984033 757835929 /nfs/dbraw/zinc/83/59/29/757835929.db2.gz SFQYRAZTORETND-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001076984033 757835939 /nfs/dbraw/zinc/83/59/39/757835939.db2.gz SFQYRAZTORETND-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001021712565 757847679 /nfs/dbraw/zinc/84/76/79/757847679.db2.gz JWLOYLYYTLGELB-VXGBXAGGSA-N 1 1 346.387 0.456 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021732699 757877050 /nfs/dbraw/zinc/87/70/50/757877050.db2.gz GVJZZIDHLXTMBF-OCCSQVGLSA-N 1 1 330.388 0.046 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001076994360 757888612 /nfs/dbraw/zinc/88/86/12/757888612.db2.gz AAAYTMIXNXIVBM-FVQBIDKESA-N 1 1 332.375 0.561 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021742445 757891837 /nfs/dbraw/zinc/89/18/37/757891837.db2.gz LFPPHACEJDXMDF-ZFWWWQNUSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C(N)=O)n2)C1 ZINC001021743872 757894058 /nfs/dbraw/zinc/89/40/58/757894058.db2.gz SECCDLHTCUQMJW-BBRMVZONSA-N 1 1 326.400 0.740 20 30 ECEDMO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001049085481 757919209 /nfs/dbraw/zinc/91/92/09/757919209.db2.gz UEODUCGCTQLRCH-GJZGRUSLSA-N 1 1 348.447 0.824 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)CC[N@H+](C)CCC)nn2)C1 ZINC001107230419 757939176 /nfs/dbraw/zinc/93/91/76/757939176.db2.gz DOPXLTVVKPZBRO-UHFFFAOYSA-N 1 1 332.452 0.506 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](CC[C@H]4CCOC4)C[C@@H]3C2)nn1 ZINC001049103771 757965718 /nfs/dbraw/zinc/96/57/18/757965718.db2.gz UZPARHWDYMBBGO-HRCADAONSA-N 1 1 345.447 0.895 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4nc(C)c[nH]4)C[C@H]3C2)C1=O ZINC001049105000 757969957 /nfs/dbraw/zinc/96/99/57/757969957.db2.gz DHGBEMLILMPGHE-ZNMIVQPWSA-N 1 1 343.431 0.509 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001077027130 757982026 /nfs/dbraw/zinc/98/20/26/757982026.db2.gz CQZSJJSLGCORES-BZUAXINKSA-N 1 1 333.436 0.527 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2O)CC[N@H+]1C ZINC001077023470 757997491 /nfs/dbraw/zinc/99/74/91/757997491.db2.gz BGJGJIZXVSODFI-RAEVTNRLSA-N 1 1 348.472 0.621 20 30 ECEDMO Cn1ncc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@H]3C2)n1 ZINC001049115031 758002788 /nfs/dbraw/zinc/00/27/88/758002788.db2.gz BYYNISLIJYIPNZ-TXEJJXNPSA-N 1 1 342.428 0.952 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)c3[nH]nc(C)c3C)C2)C1=O ZINC001021913827 758051474 /nfs/dbraw/zinc/05/14/74/758051474.db2.gz KUIXHSVKOKQOPS-MJBXVCDLSA-N 1 1 331.420 0.664 20 30 ECEDMO Cc1cc(NC/C=C/CNC(=O)CC[NH+]2CCOCC2)c(C#N)cn1 ZINC001107254247 758054092 /nfs/dbraw/zinc/05/40/92/758054092.db2.gz RWHIGVJZMRBADQ-NSCUHMNNSA-N 1 1 343.431 0.490 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077065320 758076824 /nfs/dbraw/zinc/07/68/24/758076824.db2.gz YGGKCXROBVCIDS-RRFJBIMHSA-N 1 1 341.452 0.309 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077065320 758076833 /nfs/dbraw/zinc/07/68/33/758076833.db2.gz YGGKCXROBVCIDS-RRFJBIMHSA-N 1 1 341.452 0.309 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049160111 758173212 /nfs/dbraw/zinc/17/32/12/758173212.db2.gz UIEWCGNNNJLZGC-QLFBSQMISA-N 1 1 329.404 0.267 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cnc(OCC4CC4)cn3)C[C@H]2C1 ZINC001049166720 758196479 /nfs/dbraw/zinc/19/64/79/758196479.db2.gz JYDSKHAHFZNNQF-GASCZTMLSA-N 1 1 326.400 0.902 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 ZINC001077110537 758197591 /nfs/dbraw/zinc/19/75/91/758197591.db2.gz WWVKXILOCHZVII-JHJVBQTASA-N 1 1 336.440 0.269 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(COCC)CC1 ZINC001077106309 758202580 /nfs/dbraw/zinc/20/25/80/758202580.db2.gz HBPOMGOQUQYNJP-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(COCC)CC1 ZINC001077106309 758202586 /nfs/dbraw/zinc/20/25/86/758202586.db2.gz HBPOMGOQUQYNJP-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)CSCC#N ZINC001077107563 758208838 /nfs/dbraw/zinc/20/88/38/758208838.db2.gz NAVKQPLGOFZPTQ-LBPRGKRZSA-N 1 1 328.482 0.984 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cn[nH]c3)CCC[C@@H]12 ZINC001107294393 758213660 /nfs/dbraw/zinc/21/36/60/758213660.db2.gz ZMLHYHHRIBASKN-RHSMWYFYSA-N 1 1 331.420 0.686 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001077116895 758232167 /nfs/dbraw/zinc/23/21/67/758232167.db2.gz CKVGWAPXGZDYOV-CHWSQXEVSA-N 1 1 345.403 0.415 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)C[C@@H]3C2)nc1 ZINC001049177847 758234055 /nfs/dbraw/zinc/23/40/55/758234055.db2.gz QWHULTCJVBALOI-IYBDPMFKSA-N 1 1 336.399 0.358 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccncn1 ZINC001077124944 758288406 /nfs/dbraw/zinc/28/84/06/758288406.db2.gz JWBLYDLGQFKBCP-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccncn1 ZINC001077124944 758288414 /nfs/dbraw/zinc/28/84/14/758288414.db2.gz JWBLYDLGQFKBCP-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001077125069 758288926 /nfs/dbraw/zinc/28/89/26/758288926.db2.gz LSHLJSHVLMRTRQ-XSWJXKHESA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001077125069 758288936 /nfs/dbraw/zinc/28/89/36/758288936.db2.gz LSHLJSHVLMRTRQ-XSWJXKHESA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(CC)on1 ZINC001077125465 758289769 /nfs/dbraw/zinc/28/97/69/758289769.db2.gz VQAQCNQGZDUHOW-BBRMVZONSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(CC)on1 ZINC001077125465 758289777 /nfs/dbraw/zinc/28/97/77/758289777.db2.gz VQAQCNQGZDUHOW-BBRMVZONSA-N 1 1 346.431 0.959 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001089895640 758293728 /nfs/dbraw/zinc/29/37/28/758293728.db2.gz FXWUWAYUTZPAOO-VGWMRTNUSA-N 1 1 345.447 0.245 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C=C(C)C)CC2(CCOCC2)C1 ZINC001099563659 758297202 /nfs/dbraw/zinc/29/72/02/758297202.db2.gz JLMFZXLAMMVGJZ-INIZCTEOSA-N 1 1 347.459 0.689 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C=C(C)C)CC2(CCOCC2)C1 ZINC001099563659 758297210 /nfs/dbraw/zinc/29/72/10/758297210.db2.gz JLMFZXLAMMVGJZ-INIZCTEOSA-N 1 1 347.459 0.689 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC/C=C\CNc2ccnc(C#N)n2)C1 ZINC001107374987 758401615 /nfs/dbraw/zinc/40/16/15/758401615.db2.gz LXTHJSIFITVVKZ-JZIMQPMSSA-N 1 1 342.447 0.832 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(c3cncc(C#N)n3)C[C@H]2C1 ZINC001049244363 758421494 /nfs/dbraw/zinc/42/14/94/758421494.db2.gz FROQVKWKIGWDNA-YCPHGPKFSA-N 1 1 340.431 0.727 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(C)C)CC2 ZINC001107404626 758482193 /nfs/dbraw/zinc/48/21/93/758482193.db2.gz FXEUJDCOJIKSDE-CRAIPNDOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(C)CC)CC2 ZINC001107404932 758482593 /nfs/dbraw/zinc/48/25/93/758482593.db2.gz WEPMITYYMUMJBS-VQIMIIECSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(C)CC)CC2 ZINC001107401367 758498705 /nfs/dbraw/zinc/49/87/05/758498705.db2.gz KLRZHWVMBWJFCX-FRQCXROJSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(N)=O ZINC001049383104 758604430 /nfs/dbraw/zinc/60/44/30/758604430.db2.gz PVMIIHLMVOBSIQ-QWRGUYRKSA-N 1 1 330.226 0.836 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(N)=O ZINC001049383104 758604432 /nfs/dbraw/zinc/60/44/32/758604432.db2.gz PVMIIHLMVOBSIQ-QWRGUYRKSA-N 1 1 330.226 0.836 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(c4cncc(C#N)n4)C[C@H]3C2)C1 ZINC001049384592 758606738 /nfs/dbraw/zinc/60/67/38/758606738.db2.gz RBSMCDTVDZGCSY-ILXRZTDVSA-N 1 1 340.431 0.585 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)S(C)(=O)=O)CCC[C@@H]12 ZINC001107453913 758611466 /nfs/dbraw/zinc/61/14/66/758611466.db2.gz IANYEMYZMDIDDE-SQWLQELKSA-N 1 1 326.462 0.804 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)S(C)(=O)=O)CCC[C@@H]12 ZINC001107453913 758611469 /nfs/dbraw/zinc/61/14/69/758611469.db2.gz IANYEMYZMDIDDE-SQWLQELKSA-N 1 1 326.462 0.804 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC001107457707 758618763 /nfs/dbraw/zinc/61/87/63/758618763.db2.gz LFBLLXXKBNRMPJ-RHSMWYFYSA-N 1 1 333.436 0.519 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCN3C(=O)CCC3=O)CCC[C@@H]12 ZINC001107466429 758625525 /nfs/dbraw/zinc/62/55/25/758625525.db2.gz KBOUOMRUQNYMOD-DNVCBOLYSA-N 1 1 345.443 0.910 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCn2cncn2)c1 ZINC001049400541 758632503 /nfs/dbraw/zinc/63/25/03/758632503.db2.gz HKGKRWTXFZSIOB-HZPDHXFCSA-N 1 1 339.403 0.857 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3CCCCN3C)CC2)C1=O ZINC000996726696 758641364 /nfs/dbraw/zinc/64/13/64/758641364.db2.gz ZDRBIRARDVMVQJ-IAGOWNOFSA-N 1 1 348.491 0.838 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)N2CCC2)[nH]1 ZINC001049424825 758668296 /nfs/dbraw/zinc/66/82/96/758668296.db2.gz HTXNWEKDHYNBQO-JKSUJKDBSA-N 1 1 341.415 0.798 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH]c(C#N)c1 ZINC001049425037 758668349 /nfs/dbraw/zinc/66/83/49/758668349.db2.gz KDCAWRZETJFALH-HUUCEWRRSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(CC)c2)C1=O ZINC001032320960 758681565 /nfs/dbraw/zinc/68/15/65/758681565.db2.gz AIVLUELYIFRBPQ-HRCADAONSA-N 1 1 343.431 0.589 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(CC)c2)C1=O ZINC001032320960 758681571 /nfs/dbraw/zinc/68/15/71/758681571.db2.gz AIVLUELYIFRBPQ-HRCADAONSA-N 1 1 343.431 0.589 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(F)c[nH]3)CCC[C@@H]12 ZINC001107475325 758688043 /nfs/dbraw/zinc/68/80/43/758688043.db2.gz LUWDYYKFCKSQGR-RHSMWYFYSA-N 1 1 347.394 0.768 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001077296700 758724241 /nfs/dbraw/zinc/72/42/41/758724241.db2.gz YKOPXONELPSVBX-GHMZBOCLSA-N 1 1 330.310 0.237 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001077296700 758724248 /nfs/dbraw/zinc/72/42/48/758724248.db2.gz YKOPXONELPSVBX-GHMZBOCLSA-N 1 1 330.310 0.237 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001077294205 758737580 /nfs/dbraw/zinc/73/75/80/758737580.db2.gz XAAGKLLFIZUDME-HZPDHXFCSA-N 1 1 349.431 0.236 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC001049466804 758762651 /nfs/dbraw/zinc/76/26/51/758762651.db2.gz KCANZQARAPARMQ-HUUCEWRRSA-N 1 1 344.415 0.017 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC001107500518 758772123 /nfs/dbraw/zinc/77/21/23/758772123.db2.gz HVJHSJYMCAYVSJ-CZUORRHYSA-N 1 1 334.424 0.387 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001049474768 758779037 /nfs/dbraw/zinc/77/90/37/758779037.db2.gz RIRPCSWJJKQWHQ-UONOGXRCSA-N 1 1 331.416 0.470 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001049476663 758782572 /nfs/dbraw/zinc/78/25/72/758782572.db2.gz YYBSEFHXOZUZBT-CABCVRRESA-N 1 1 345.443 0.860 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1Cl ZINC001105909601 762658824 /nfs/dbraw/zinc/65/88/24/762658824.db2.gz KFIFFGBXBQBHGU-LBPRGKRZSA-N 1 1 339.827 0.837 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2O)C1 ZINC001049495014 758802786 /nfs/dbraw/zinc/80/27/86/758802786.db2.gz RJYDOLJQGLKRKI-GJZGRUSLSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(OCC(N)=O)c1 ZINC001049507362 758824083 /nfs/dbraw/zinc/82/40/83/758824083.db2.gz HOEJQGFEJDVSML-SJORKVTESA-N 1 1 341.411 0.863 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001083573928 758867509 /nfs/dbraw/zinc/86/75/09/758867509.db2.gz ZWHDGUDMQOPCCV-SQNIBIBYSA-N 1 1 342.443 0.704 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001049556985 758918948 /nfs/dbraw/zinc/91/89/48/758918948.db2.gz DJPKTSFDEUZWCP-RRFJBIMHSA-N 1 1 343.431 0.635 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001049559438 758921741 /nfs/dbraw/zinc/92/17/41/758921741.db2.gz HBOLXYZZHYLXBW-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001049560103 758922205 /nfs/dbraw/zinc/92/22/05/758922205.db2.gz ZUYKUHWMJSJRIG-MGPQQGTHSA-N 1 1 331.420 0.797 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C(N)=O)cn1C ZINC001049572746 758944220 /nfs/dbraw/zinc/94/42/20/758944220.db2.gz NKNLORXFGCRPSL-HUUCEWRRSA-N 1 1 328.416 0.826 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049575314 758948704 /nfs/dbraw/zinc/94/87/04/758948704.db2.gz BPPHFNBELVAPFP-KGLIPLIRSA-N 1 1 330.388 0.038 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1COCCN1CC(F)F ZINC001049611206 758991387 /nfs/dbraw/zinc/99/13/87/758991387.db2.gz FQFQLUHYDSBHCT-KFWWJZLASA-N 1 1 341.402 0.651 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049613066 758992925 /nfs/dbraw/zinc/99/29/25/758992925.db2.gz PKVWKJITORGNCU-CABCVRRESA-N 1 1 331.420 0.061 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C)nn3C)C[C@]2(C)C1 ZINC001101147814 758993673 /nfs/dbraw/zinc/99/36/73/758993673.db2.gz RJWJPXBTLFXFBV-QAPCUYQASA-N 1 1 330.432 0.772 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(C)CCOCC1 ZINC001077399043 758996090 /nfs/dbraw/zinc/99/60/90/758996090.db2.gz SFIPQBCJRNNMJP-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(C)CCOCC1 ZINC001077399043 758996092 /nfs/dbraw/zinc/99/60/92/758996092.db2.gz SFIPQBCJRNNMJP-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049621368 759004543 /nfs/dbraw/zinc/00/45/43/759004543.db2.gz MFWOHPVLLLHXQA-XLAORIBOSA-N 1 1 347.459 0.711 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049622650 759005078 /nfs/dbraw/zinc/00/50/78/759005078.db2.gz WXYIVKZGLQDIIM-XWTMOSNGSA-N 1 1 347.459 0.711 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nc2ccccn2c1=O ZINC001049627530 759011597 /nfs/dbraw/zinc/01/15/97/759011597.db2.gz XTCSLONWMXXYBB-LSDHHAIUSA-N 1 1 341.415 0.747 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001077420291 759039015 /nfs/dbraw/zinc/03/90/15/759039015.db2.gz UJTSQUUGGOQPAL-ZIAGYGMSSA-N 1 1 347.415 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001049673872 759075391 /nfs/dbraw/zinc/07/53/91/759075391.db2.gz AHPGHYRJECMFIS-ZIAGYGMSSA-N 1 1 325.372 0.976 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001049692582 759107704 /nfs/dbraw/zinc/10/77/04/759107704.db2.gz TYUXJUWVXURQSZ-CVEARBPZSA-N 1 1 329.375 0.728 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC#Cc1ccc(F)cc1 ZINC001049692582 759107709 /nfs/dbraw/zinc/10/77/09/759107709.db2.gz TYUXJUWVXURQSZ-CVEARBPZSA-N 1 1 329.375 0.728 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)NC)c1 ZINC001049710860 759118602 /nfs/dbraw/zinc/11/86/02/759118602.db2.gz YQEBIORWNYXELP-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)NC)c1 ZINC001049710860 759118608 /nfs/dbraw/zinc/11/86/08/759118608.db2.gz YQEBIORWNYXELP-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001049719543 759127417 /nfs/dbraw/zinc/12/74/17/759127417.db2.gz MRJZBSPRFGAMSI-HUUCEWRRSA-N 1 1 342.443 0.835 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)NC1CC1 ZINC001049742485 759157552 /nfs/dbraw/zinc/15/75/52/759157552.db2.gz UGNVTVUAHOZCQF-VQHPVUNQSA-N 1 1 347.459 0.921 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)c[nH]c1CC(N)=O ZINC001049744962 759159785 /nfs/dbraw/zinc/15/97/85/759159785.db2.gz CJGXHRQULUTVAI-CABCVRRESA-N 1 1 328.416 0.663 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049824649 759258807 /nfs/dbraw/zinc/25/88/07/759258807.db2.gz JFNUGLQRUXIKMB-KBPBESRZSA-N 1 1 346.431 0.405 20 30 ECEDMO N#Cc1ccc(CN2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)s1 ZINC001030348565 762697895 /nfs/dbraw/zinc/69/78/95/762697895.db2.gz UYBIESMGMUMJEW-CZUORRHYSA-N 1 1 346.456 0.783 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049830788 759265976 /nfs/dbraw/zinc/26/59/76/759265976.db2.gz IABQNKQWAAWMGO-CABCVRRESA-N 1 1 348.447 0.960 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(Br)c[nH]2)[C@@H](O)C1 ZINC001083614807 759314598 /nfs/dbraw/zinc/31/45/98/759314598.db2.gz OVORHSWSUIEJFI-NEPJUHHUSA-N 1 1 326.194 0.575 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)NC)c2)C1 ZINC001047633804 759357538 /nfs/dbraw/zinc/35/75/38/759357538.db2.gz MGHPLKHZECKTJJ-HOTGVXAUSA-N 1 1 331.416 0.739 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001047644712 759391323 /nfs/dbraw/zinc/39/13/23/759391323.db2.gz OZYXQMUXNSGKQP-HOTGVXAUSA-N 1 1 344.415 0.578 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001047644712 759391332 /nfs/dbraw/zinc/39/13/32/759391332.db2.gz OZYXQMUXNSGKQP-HOTGVXAUSA-N 1 1 344.415 0.578 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 ZINC001049918427 759401263 /nfs/dbraw/zinc/40/12/63/759401263.db2.gz KXJGNJMDVZBFON-UONOGXRCSA-N 1 1 332.408 0.018 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C(N)=O)nc1 ZINC001049926568 759411644 /nfs/dbraw/zinc/41/16/44/759411644.db2.gz CLBDIALOLYYDHC-CVEARBPZSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3nnn(C)c32)C1 ZINC001047654104 759415951 /nfs/dbraw/zinc/41/59/51/759415951.db2.gz QXURIRHYPSGOKB-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C(N)=O)ccn1 ZINC001049935740 759428099 /nfs/dbraw/zinc/42/80/99/759428099.db2.gz LJNGOXGUWKILIK-JKSUJKDBSA-N 1 1 326.400 0.883 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(N)=O)C2 ZINC001054249445 767867267 /nfs/dbraw/zinc/86/72/67/767867267.db2.gz WKOSAQWLUXDLII-YJBOKZPZSA-N 1 1 332.448 0.867 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)CC(N)=O)[C@@H]3C2)cc1F ZINC001050003749 759534573 /nfs/dbraw/zinc/53/45/73/759534573.db2.gz RXVJAGBEYGEFNK-GOEBONIOSA-N 1 1 344.390 0.996 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3ccc(=O)n(C)c3=O)[C@@H]2C1 ZINC001050060350 759633516 /nfs/dbraw/zinc/63/35/16/759633516.db2.gz VTMACASFDMUCPT-LSDHHAIUSA-N 1 1 346.431 0.046 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3COCCN3C)cc2C1 ZINC001054261552 767878436 /nfs/dbraw/zinc/87/84/36/767878436.db2.gz IPYMKJNLHNBGJB-GOSISDBHSA-N 1 1 327.428 0.972 20 30 ECEDMO CC#CCN1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)cc2C1 ZINC001054260558 767878471 /nfs/dbraw/zinc/87/84/71/767878471.db2.gz SHNCHNDRAJOMJJ-GOSISDBHSA-N 1 1 327.428 0.972 20 30 ECEDMO CC#CCN1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)cc2C1 ZINC001054260558 767878477 /nfs/dbraw/zinc/87/84/77/767878477.db2.gz SHNCHNDRAJOMJJ-GOSISDBHSA-N 1 1 327.428 0.972 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3nc4ncc(C)cn4n3)[C@@H]2C1 ZINC001050073134 759657384 /nfs/dbraw/zinc/65/73/84/759657384.db2.gz YNIKDUWGGOFLKC-LSDHHAIUSA-N 1 1 338.415 0.992 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(OC2C[NH+]([C@H](C)COC)C2)CC1 ZINC001105708772 759659779 /nfs/dbraw/zinc/65/97/79/759659779.db2.gz YVQRTIFUYMZNLE-CABCVRRESA-N 1 1 338.448 0.751 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 ZINC001050077121 759663690 /nfs/dbraw/zinc/66/36/90/759663690.db2.gz OPCKRIJCZOKINL-DGAVXFQQSA-N 1 1 346.349 0.889 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccc(C#N)cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125111398 759718025 /nfs/dbraw/zinc/71/80/25/759718025.db2.gz WHLPRUYBIHHMPS-LSDHHAIUSA-N 1 1 331.420 0.160 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccc(C#N)cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125111394 759718118 /nfs/dbraw/zinc/71/81/18/759718118.db2.gz WHLPRUYBIHHMPS-GJZGRUSLSA-N 1 1 331.420 0.160 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)cncc2C)C1 ZINC000995570170 759807276 /nfs/dbraw/zinc/80/72/76/759807276.db2.gz RTPJTYPDQVSAAK-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)cncc2C)C1 ZINC000995570170 759807287 /nfs/dbraw/zinc/80/72/87/759807287.db2.gz RTPJTYPDQVSAAK-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccnc1 ZINC001099556289 759872370 /nfs/dbraw/zinc/87/23/70/759872370.db2.gz IKVXJWQXAPHHCR-FJIDUMEYSA-N 1 1 342.443 0.702 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001050191007 759904255 /nfs/dbraw/zinc/90/42/55/759904255.db2.gz ARBZKECTQRGBBZ-ZWKOTPCHSA-N 1 1 339.439 0.879 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 ZINC001050194505 759914214 /nfs/dbraw/zinc/91/42/14/759914214.db2.gz FKMABOASSJBJNP-UONOGXRCSA-N 1 1 346.431 0.263 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001050197455 759918718 /nfs/dbraw/zinc/91/87/18/759918718.db2.gz QGSQPZZFLIKKON-NWDGAFQWSA-N 1 1 340.811 0.214 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001050197455 759918724 /nfs/dbraw/zinc/91/87/24/759918724.db2.gz QGSQPZZFLIKKON-NWDGAFQWSA-N 1 1 340.811 0.214 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050205697 759939626 /nfs/dbraw/zinc/93/96/26/759939626.db2.gz RSUGJLKRCXSGCX-MELADBBJSA-N 1 1 327.450 0.177 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)[C@@H](O)C1 ZINC001083637789 759993521 /nfs/dbraw/zinc/99/35/21/759993521.db2.gz LUBZUCGOMPKDOZ-BMFZPTHFSA-N 1 1 332.375 0.561 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1OC ZINC001212349350 760013942 /nfs/dbraw/zinc/01/39/42/760013942.db2.gz QZCCLYHFBLJRDP-RBSFLKMASA-N 1 1 333.436 0.937 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993018734 767911596 /nfs/dbraw/zinc/91/15/96/767911596.db2.gz UFNXCZMIEMPKOJ-RISCZKNCSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993018734 767911601 /nfs/dbraw/zinc/91/16/01/767911601.db2.gz UFNXCZMIEMPKOJ-RISCZKNCSA-N 1 1 345.432 0.776 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001017392608 767923597 /nfs/dbraw/zinc/92/35/97/767923597.db2.gz ZBDPZMLBTCTRAY-INIZCTEOSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(C)(C)C)C1 ZINC001048264375 760186564 /nfs/dbraw/zinc/18/65/64/760186564.db2.gz KOZNNUIAMGXVPF-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(C)(C)C)C1 ZINC001048264375 760186571 /nfs/dbraw/zinc/18/65/71/760186571.db2.gz KOZNNUIAMGXVPF-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CC[C@H](NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001050377309 760204359 /nfs/dbraw/zinc/20/43/59/760204359.db2.gz JJTDPYMEOIGHPV-MGPQQGTHSA-N 1 1 346.435 0.470 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CC[C@H](NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001050377309 760204368 /nfs/dbraw/zinc/20/43/68/760204368.db2.gz JJTDPYMEOIGHPV-MGPQQGTHSA-N 1 1 346.435 0.470 20 30 ECEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@H](OC)C1 ZINC001212141277 760207239 /nfs/dbraw/zinc/20/72/39/760207239.db2.gz LKERSPVAAPBWTI-ZIAGYGMSSA-N 1 1 339.440 0.770 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001017398146 767930593 /nfs/dbraw/zinc/93/05/93/767930593.db2.gz NLGYMULQOARXLW-CQSZACIVSA-N 1 1 341.415 0.727 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001083645642 760338101 /nfs/dbraw/zinc/33/81/01/760338101.db2.gz LESSFGYIDHSSQA-SJORKVTESA-N 1 1 339.399 0.425 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2ncc3cc(C)cnc32)[C@@H](O)C1 ZINC001083646772 760379682 /nfs/dbraw/zinc/37/96/82/760379682.db2.gz ULZHWNUYBJUISJ-CVEARBPZSA-N 1 1 343.431 0.867 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3nnn(C)n3)C2)cn1 ZINC001048451987 760552708 /nfs/dbraw/zinc/55/27/08/760552708.db2.gz IEXIFOUZLFFODH-JSGCOSHPSA-N 1 1 339.403 0.084 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCCS3(=O)=O)C2)CC1 ZINC001050605589 760560957 /nfs/dbraw/zinc/56/09/57/760560957.db2.gz UPTKYNIXVJOIHU-HNNXBMFYSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](CNCc3cnon3)[C@H](C)C2)CC1 ZINC001048479356 760593042 /nfs/dbraw/zinc/59/30/42/760593042.db2.gz MQBJFYOGGYLKHD-GDBMZVCRSA-N 1 1 345.447 0.599 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC001127061950 760623881 /nfs/dbraw/zinc/62/38/81/760623881.db2.gz ZLTNRHHRQVLZHD-ZIAGYGMSSA-N 1 1 342.403 0.467 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H]1O ZINC001048530300 760668437 /nfs/dbraw/zinc/66/84/37/760668437.db2.gz BUKOMHUOBKOKPG-KKUMJFAQSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001050729259 760743934 /nfs/dbraw/zinc/74/39/34/760743934.db2.gz PIAMCGIRBGWGAG-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)C2 ZINC001048591994 760767356 /nfs/dbraw/zinc/76/73/56/760767356.db2.gz ZCARLVSLUODCIQ-YOWGUQMCSA-N 1 1 326.400 0.787 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)C2 ZINC001048591626 760767565 /nfs/dbraw/zinc/76/75/65/760767565.db2.gz DQYPHXZVLSWMCV-QDMKHBRRSA-N 1 1 330.432 0.720 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)C[C@H](C)O2 ZINC001111538474 760798083 /nfs/dbraw/zinc/79/80/83/760798083.db2.gz KAEWTQAOXGSCHL-GJZGRUSLSA-N 1 1 348.447 0.530 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCCO4)C[C@H]3C2)C1=O ZINC001048666964 760899234 /nfs/dbraw/zinc/89/92/34/760899234.db2.gz SLFHLMVKYAOCCE-QKPAOTATSA-N 1 1 333.432 0.343 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)c1 ZINC001048671776 760906071 /nfs/dbraw/zinc/90/60/71/760906071.db2.gz JCWGMXDDGZBAFQ-IYBDPMFKSA-N 1 1 337.387 0.135 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1cnc(C#N)cn1 ZINC001048710901 760996462 /nfs/dbraw/zinc/99/64/62/760996462.db2.gz LHWVDKKMMBAPJO-VHDGCEQUSA-N 1 1 328.420 0.773 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)[C@@H](O)C1 ZINC001083673863 761002346 /nfs/dbraw/zinc/00/23/46/761002346.db2.gz BANILUWFCJRBLZ-CFVMTHIKSA-N 1 1 334.420 0.655 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CCOCC2)[nH]1 ZINC001050871893 761045555 /nfs/dbraw/zinc/04/55/55/761045555.db2.gz HGHSNBBSCKEEJH-OAHLLOKOSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CCOCC2)[nH]1 ZINC001050871893 761045565 /nfs/dbraw/zinc/04/55/65/761045565.db2.gz HGHSNBBSCKEEJH-OAHLLOKOSA-N 1 1 332.404 0.744 20 30 ECEDMO Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)on1 ZINC001048725028 761046624 /nfs/dbraw/zinc/04/66/24/761046624.db2.gz MXQWSNPTIMFPRO-DOERSZECSA-N 1 1 345.403 0.860 20 30 ECEDMO Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)on1 ZINC001048725028 761046629 /nfs/dbraw/zinc/04/66/29/761046629.db2.gz MXQWSNPTIMFPRO-DOERSZECSA-N 1 1 345.403 0.860 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@@H]2C1 ZINC001048725010 761047393 /nfs/dbraw/zinc/04/73/93/761047393.db2.gz MQLDHFUBQJKBBY-AYDFFVQHSA-N 1 1 330.432 0.690 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001048727920 761056202 /nfs/dbraw/zinc/05/62/02/761056202.db2.gz PHLUZHLSCVNMRB-ZQDZILKHSA-N 1 1 339.461 0.361 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1)C1CC1 ZINC001048749671 761107387 /nfs/dbraw/zinc/10/73/87/761107387.db2.gz KEYZBQSUYFTZMY-OKILXGFUSA-N 1 1 341.415 0.511 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1O ZINC001048753776 761116347 /nfs/dbraw/zinc/11/63/47/761116347.db2.gz FJVYSDNGSDNLAH-GJZGRUSLSA-N 1 1 337.464 0.550 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cc(C)on1 ZINC001050962761 761230931 /nfs/dbraw/zinc/23/09/31/761230931.db2.gz QSFKOQBLSDHVEL-IRXDYDNUSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cc(C)on1 ZINC001050962761 761230935 /nfs/dbraw/zinc/23/09/35/761230935.db2.gz QSFKOQBLSDHVEL-IRXDYDNUSA-N 1 1 346.431 0.398 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC(F)F)C1 ZINC001103266703 761251263 /nfs/dbraw/zinc/25/12/63/761251263.db2.gz ABWRSBSWDFMOSP-ZIAGYGMSSA-N 1 1 332.391 0.992 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(OC2C[NH+](C[C@H](O)COC)C2)CC1 ZINC001105719845 761317087 /nfs/dbraw/zinc/31/70/87/761317087.db2.gz PDYYHAVGUQNSNR-AWEZNQCLSA-N 1 1 340.464 0.898 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@H]1OC ZINC001212152694 761422179 /nfs/dbraw/zinc/42/21/79/761422179.db2.gz YMOPMJDFOWVPCD-DJIMGWMZSA-N 1 1 343.427 0.703 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1C ZINC001054559905 768041736 /nfs/dbraw/zinc/04/17/36/768041736.db2.gz LIAPXESYHGZYMD-RISCZKNCSA-N 1 1 341.419 0.828 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001051164079 761591782 /nfs/dbraw/zinc/59/17/82/761591782.db2.gz NLDRMEDYZJNAJC-CQSZACIVSA-N 1 1 345.403 0.832 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001051164079 761591787 /nfs/dbraw/zinc/59/17/87/761591787.db2.gz NLDRMEDYZJNAJC-CQSZACIVSA-N 1 1 345.403 0.832 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2Cc2ccc(C#N)s2)C1 ZINC001051240304 761742002 /nfs/dbraw/zinc/74/20/02/761742002.db2.gz FYUVVWQOVSEGCB-UONOGXRCSA-N 1 1 348.472 0.888 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2COCCN2CC#Cc2ccccc2)C1 ZINC001051242869 761747669 /nfs/dbraw/zinc/74/76/69/761747669.db2.gz ZBLURNWNMNZIIT-MOPGFXCFSA-N 1 1 341.455 0.807 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)C3CN(C(C)=O)C3)cccc2C1 ZINC001051286533 761826528 /nfs/dbraw/zinc/82/65/28/761826528.db2.gz JNPLJXARRKJHAZ-UHFFFAOYSA-N 1 1 325.412 0.772 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)C3CS(=O)(=O)C3)cccc2C1 ZINC001051291657 761835964 /nfs/dbraw/zinc/83/59/64/761835964.db2.gz XEWDZAKMNZETNU-UHFFFAOYSA-N 1 1 332.425 0.339 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCC(=O)N3C)cccc2C1 ZINC001051298007 761849583 /nfs/dbraw/zinc/84/95/83/761849583.db2.gz XVMMRIAMRFAWDX-QGZVFWFLSA-N 1 1 325.412 0.915 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2cccc3c2CCN(CC#N)C3)C1 ZINC001051306630 761858224 /nfs/dbraw/zinc/85/82/24/761858224.db2.gz IZTMNPDQMQCFCK-SFHVURJKSA-N 1 1 342.443 0.905 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCc2cccc3c2CCN(CC#N)C3)C1 ZINC001051306630 761858233 /nfs/dbraw/zinc/85/82/33/761858233.db2.gz IZTMNPDQMQCFCK-SFHVURJKSA-N 1 1 342.443 0.905 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)c3cn(C)c(=O)n3C)cccc2C1 ZINC001051307122 761859087 /nfs/dbraw/zinc/85/90/87/761859087.db2.gz LUICYHNEFOIDKX-UHFFFAOYSA-N 1 1 338.411 0.645 20 30 ECEDMO C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC000991688193 762737098 /nfs/dbraw/zinc/73/70/98/762737098.db2.gz MYRSDBXHXOYXGI-HNNXBMFYSA-N 1 1 346.435 0.279 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ncccc2C#N)C[C@H]1O ZINC001051749108 762867898 /nfs/dbraw/zinc/86/78/98/762867898.db2.gz BOISJVRKXOYJBJ-HUUCEWRRSA-N 1 1 340.387 0.214 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001106294985 768091777 /nfs/dbraw/zinc/09/17/77/768091777.db2.gz WKLFSMOJYGTKKC-SMDDNHRTSA-N 1 1 332.408 0.294 20 30 ECEDMO Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001106294985 768091785 /nfs/dbraw/zinc/09/17/85/768091785.db2.gz WKLFSMOJYGTKKC-SMDDNHRTSA-N 1 1 332.408 0.294 20 30 ECEDMO C[C@@H](CCNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001106293212 768092963 /nfs/dbraw/zinc/09/29/63/768092963.db2.gz BZYHZYHYKDKOKL-FZMZJTMJSA-N 1 1 335.383 0.730 20 30 ECEDMO C[C@@H](CCNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001106293212 768092971 /nfs/dbraw/zinc/09/29/71/768092971.db2.gz BZYHZYHYKDKOKL-FZMZJTMJSA-N 1 1 335.383 0.730 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991716636 762929726 /nfs/dbraw/zinc/92/97/26/762929726.db2.gz MVISTTMPGVYTLZ-INIZCTEOSA-N 1 1 325.412 0.489 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1nc(C#N)c(Cl)s1 ZINC001105944390 762988733 /nfs/dbraw/zinc/98/87/33/762988733.db2.gz OGMIIGXNPLXRAE-SECBINFHSA-N 1 1 345.856 0.899 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@H](C[NH2+][C@@H](C)c3nnnn3C)C2)CC1 ZINC001051803371 763001856 /nfs/dbraw/zinc/00/18/56/763001856.db2.gz MVDSWPYZYVIHJV-DZGCQCFKSA-N 1 1 348.451 0.835 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3CCC)C2)C1 ZINC001051814874 763029180 /nfs/dbraw/zinc/02/91/80/763029180.db2.gz LRNBYFYOODWKGF-CQSZACIVSA-N 1 1 348.451 0.756 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC001051833960 763075610 /nfs/dbraw/zinc/07/56/10/763075610.db2.gz BPDZXVLXEGEXFL-OAGGEKHMSA-N 1 1 346.431 0.693 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC001046779050 763112977 /nfs/dbraw/zinc/11/29/77/763112977.db2.gz OJRCXDJYWQOCNS-CRAIPNDOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC001046779050 763112978 /nfs/dbraw/zinc/11/29/78/763112978.db2.gz OJRCXDJYWQOCNS-CRAIPNDOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncnn2CC)C1 ZINC001014769261 763123987 /nfs/dbraw/zinc/12/39/87/763123987.db2.gz JUQGDFVYYKVAAL-GJZGRUSLSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncnn2CC)C1 ZINC001014769261 763124000 /nfs/dbraw/zinc/12/40/00/763124000.db2.gz JUQGDFVYYKVAAL-GJZGRUSLSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001014769760 763125447 /nfs/dbraw/zinc/12/54/47/763125447.db2.gz MRESAGQBPNVNMI-SJORKVTESA-N 1 1 342.443 0.173 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3cscn3)C2)nn1 ZINC001051860559 763136314 /nfs/dbraw/zinc/13/63/14/763136314.db2.gz MFRAPLKJYRSDEB-CYBMUJFWSA-N 1 1 348.432 0.551 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2csnc2OC)C1 ZINC001014778300 763137100 /nfs/dbraw/zinc/13/71/00/763137100.db2.gz CJPVEVYBEIKMCX-CABCVRRESA-N 1 1 348.472 0.940 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2csnc2OC)C1 ZINC001014778300 763137107 /nfs/dbraw/zinc/13/71/07/763137107.db2.gz CJPVEVYBEIKMCX-CABCVRRESA-N 1 1 348.472 0.940 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001046806165 763147911 /nfs/dbraw/zinc/14/79/11/763147911.db2.gz PXBPERWXKKPHJO-RDTXWAMCSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001046806165 763147919 /nfs/dbraw/zinc/14/79/19/763147919.db2.gz PXBPERWXKKPHJO-RDTXWAMCSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)COc2cnn(C)c2)C1 ZINC001089853626 763195608 /nfs/dbraw/zinc/19/56/08/763195608.db2.gz WPLLKTBXQGFNMF-HJWJTTGWSA-N 1 1 328.416 0.601 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)cc1F ZINC001014813008 763218327 /nfs/dbraw/zinc/21/83/27/763218327.db2.gz XJDZWYDGJDYWMY-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)cc1F ZINC001014813008 763218336 /nfs/dbraw/zinc/21/83/36/763218336.db2.gz XJDZWYDGJDYWMY-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c(C)nn(C)c3C)C2)C1=O ZINC001031883835 763297208 /nfs/dbraw/zinc/29/72/08/763297208.db2.gz CSAKOYLEDBNCNN-HNNXBMFYSA-N 1 1 345.447 0.485 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3cc(C)on3)C2)cn1 ZINC001051908109 763302212 /nfs/dbraw/zinc/30/22/12/763302212.db2.gz DZGKXBRRNXGPKU-QGZVFWFLSA-N 1 1 340.383 0.990 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)s1 ZINC001014861857 763325388 /nfs/dbraw/zinc/32/53/88/763325388.db2.gz ZIJDYPPNGQHELC-SMDDNHRTSA-N 1 1 332.429 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)s1 ZINC001014861857 763325397 /nfs/dbraw/zinc/32/53/97/763325397.db2.gz ZIJDYPPNGQHELC-SMDDNHRTSA-N 1 1 332.429 0.979 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2O)C1 ZINC000991767587 763341263 /nfs/dbraw/zinc/34/12/63/763341263.db2.gz JUKOZANFJQYRCB-CABCVRRESA-N 1 1 346.431 0.626 20 30 ECEDMO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001031896375 763415961 /nfs/dbraw/zinc/41/59/61/763415961.db2.gz GBTLLGRBEIECQH-HNNXBMFYSA-N 1 1 342.399 0.251 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3cncc(C#N)n3)C2)C1 ZINC001051947337 763416914 /nfs/dbraw/zinc/41/69/14/763416914.db2.gz FNGYSDGBBQNFMF-SSDMNJCBSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3cncc(C#N)n3)C2)C1 ZINC001051947337 763416920 /nfs/dbraw/zinc/41/69/20/763416920.db2.gz FNGYSDGBBQNFMF-SSDMNJCBSA-N 1 1 344.419 0.376 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001046948892 763440467 /nfs/dbraw/zinc/44/04/67/763440467.db2.gz ORSZJYHVVDFXAL-HZSPNIEDSA-N 1 1 331.407 0.965 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnn2CCOC)C1 ZINC001046948484 763441014 /nfs/dbraw/zinc/44/10/14/763441014.db2.gz IZHSGOLTQOFHHS-ZDUSSCGKSA-N 1 1 340.374 0.850 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnn2CCOC)C1 ZINC001046948484 763441019 /nfs/dbraw/zinc/44/10/19/763441019.db2.gz IZHSGOLTQOFHHS-ZDUSSCGKSA-N 1 1 340.374 0.850 20 30 ECEDMO Cn1c(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c[nH]c1=O ZINC001031898054 763441976 /nfs/dbraw/zinc/44/19/76/763441976.db2.gz ALPLSZKUEQQZPS-UHFFFAOYSA-N 1 1 331.401 0.921 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001046953127 763451654 /nfs/dbraw/zinc/45/16/54/763451654.db2.gz GBQSWZRCIDBSCO-GFCCVEGCSA-N 1 1 338.358 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001046953127 763451660 /nfs/dbraw/zinc/45/16/60/763451660.db2.gz GBQSWZRCIDBSCO-GFCCVEGCSA-N 1 1 338.358 0.734 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001046953605 763452334 /nfs/dbraw/zinc/45/23/34/763452334.db2.gz HUQCMNGAWMBOPB-NSHDSACASA-N 1 1 348.353 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001046953605 763452339 /nfs/dbraw/zinc/45/23/39/763452339.db2.gz HUQCMNGAWMBOPB-NSHDSACASA-N 1 1 348.353 0.896 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001046956819 763460299 /nfs/dbraw/zinc/46/02/99/763460299.db2.gz GRJTZUQVJDMSTA-JTQLQIEISA-N 1 1 334.330 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001046956819 763460306 /nfs/dbraw/zinc/46/03/06/763460306.db2.gz GRJTZUQVJDMSTA-JTQLQIEISA-N 1 1 334.330 0.673 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001105994605 763468158 /nfs/dbraw/zinc/46/81/58/763468158.db2.gz DAAPXZXHZHPNFP-LSDHHAIUSA-N 1 1 346.435 0.500 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046962279 763471628 /nfs/dbraw/zinc/47/16/28/763471628.db2.gz GPDBYUZZYVGNDZ-VXGBXAGGSA-N 1 1 330.379 0.660 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046962518 763471938 /nfs/dbraw/zinc/47/19/38/763471938.db2.gz MLHMCBTUUYHHCL-NEPJUHHUSA-N 1 1 328.363 0.107 20 30 ECEDMO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)nc1 ZINC001105995217 763473803 /nfs/dbraw/zinc/47/38/03/763473803.db2.gz PRXTZDCTQMCRSK-KBPBESRZSA-N 1 1 340.387 0.616 20 30 ECEDMO C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046969032 763487709 /nfs/dbraw/zinc/48/77/09/763487709.db2.gz UPXBWASCMFPDPS-NEPJUHHUSA-N 1 1 330.379 0.707 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCS(C)(=O)=O ZINC001099498044 763496545 /nfs/dbraw/zinc/49/65/45/763496545.db2.gz SFEFOOMBUBBGNY-JONQDZQNSA-N 1 1 338.473 0.613 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c(C)cnn3C)C2)C1=O ZINC001031908963 763516907 /nfs/dbraw/zinc/51/69/07/763516907.db2.gz XZEHACSENSRQCN-AWEZNQCLSA-N 1 1 331.420 0.177 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@](C)(O)C3CC3)C2)CC1 ZINC001052010721 763579287 /nfs/dbraw/zinc/57/92/87/763579287.db2.gz FBMFUZSCMGDKRS-MJGOQNOKSA-N 1 1 333.476 0.779 20 30 ECEDMO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccnn3C)C2)CC1 ZINC001052018076 763596108 /nfs/dbraw/zinc/59/61/08/763596108.db2.gz BRKBJOXNIUUGOG-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N2CCC2)C3)[nH]1 ZINC001047053700 763598098 /nfs/dbraw/zinc/59/80/98/763598098.db2.gz HSUIELXNMHRBJV-QEJZJMRPSA-N 1 1 341.415 0.701 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H](N2CC[NH+](CCn3cccn3)CC2)C1 ZINC001052024536 763613290 /nfs/dbraw/zinc/61/32/90/763613290.db2.gz GHKGKOGWCIFFDB-SFHVURJKSA-N 1 1 341.459 0.515 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)C2)CC1 ZINC001052028947 763624471 /nfs/dbraw/zinc/62/44/71/763624471.db2.gz VEYOTWCPMHSXBZ-IAGOWNOFSA-N 1 1 341.459 0.681 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001047071000 763628394 /nfs/dbraw/zinc/62/83/94/763628394.db2.gz AABHXYCBFYQULL-QHSBEEBCSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001047071000 763628396 /nfs/dbraw/zinc/62/83/96/763628396.db2.gz AABHXYCBFYQULL-QHSBEEBCSA-N 1 1 344.419 0.374 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000941231879 763662024 /nfs/dbraw/zinc/66/20/24/763662024.db2.gz XIZWLDNCTWDRKQ-ZIAGYGMSSA-N 1 1 326.462 0.804 20 30 ECEDMO COc1ccncc1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052043422 763674665 /nfs/dbraw/zinc/67/46/65/763674665.db2.gz XVTLAUUWFGSACN-INIZCTEOSA-N 1 1 343.431 0.375 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052043477 763675006 /nfs/dbraw/zinc/67/50/06/763675006.db2.gz ZIMNDJWIGFDVBP-MAUKXSAKSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052043477 763675009 /nfs/dbraw/zinc/67/50/09/763675009.db2.gz ZIMNDJWIGFDVBP-MAUKXSAKSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C2)CC1 ZINC001052047681 763690944 /nfs/dbraw/zinc/69/09/44/763690944.db2.gz WJSZAXUDVXUDOA-OAHLLOKOSA-N 1 1 345.447 0.142 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C2)CC1 ZINC001052047681 763690950 /nfs/dbraw/zinc/69/09/50/763690950.db2.gz WJSZAXUDVXUDOA-OAHLLOKOSA-N 1 1 345.447 0.142 20 30 ECEDMO CCc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cc(=O)[nH]1 ZINC001052048748 763698683 /nfs/dbraw/zinc/69/86/83/763698683.db2.gz DEHOVXDSLICDHS-MRXNPFEDSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052049173 763700279 /nfs/dbraw/zinc/70/02/79/763700279.db2.gz IPRAKFZTULAXNQ-QGZVFWFLSA-N 1 1 331.464 0.904 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052049173 763700283 /nfs/dbraw/zinc/70/02/83/763700283.db2.gz IPRAKFZTULAXNQ-QGZVFWFLSA-N 1 1 331.464 0.904 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(OC)nc3)C2)CC1 ZINC001052049809 763703376 /nfs/dbraw/zinc/70/33/76/763703376.db2.gz QHJDZNVQVIWGMK-QGZVFWFLSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cncc(C)c3)C2)CC1 ZINC001052055497 763724638 /nfs/dbraw/zinc/72/46/38/763724638.db2.gz MVIYYQOMFLHRAQ-SFHVURJKSA-N 1 1 326.444 0.784 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cc1 ZINC001015042090 763734023 /nfs/dbraw/zinc/73/40/23/763734023.db2.gz HYZYPJAMFANMOR-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3nccn3C)C2)CC1 ZINC001052058545 763734432 /nfs/dbraw/zinc/73/44/32/763734432.db2.gz YCDKFANMWYHCAD-MRXNPFEDSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C2)CC1 ZINC001052059555 763737590 /nfs/dbraw/zinc/73/75/90/763737590.db2.gz KOPLIKQQFBAVQU-KRWDZBQOSA-N 1 1 343.475 0.431 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(CC#Cc3ccccc3)C2)O1 ZINC001030515603 763761726 /nfs/dbraw/zinc/76/17/26/763761726.db2.gz CJEKCPFJFDMRKI-CRAIPNDOSA-N 1 1 327.428 0.558 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(CC#Cc3ccccc3)C2)O1 ZINC001030515603 763761728 /nfs/dbraw/zinc/76/17/28/763761728.db2.gz CJEKCPFJFDMRKI-CRAIPNDOSA-N 1 1 327.428 0.558 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(C)n3C)C2)CC1 ZINC001052071507 763772127 /nfs/dbraw/zinc/77/21/27/763772127.db2.gz ULBWYCHVTJFVJT-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3cncc(C)c3)CC2)C1 ZINC000941501923 763783672 /nfs/dbraw/zinc/78/36/72/763783672.db2.gz IGDORZVUJCNOHC-UHFFFAOYSA-N 1 1 326.444 0.784 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941604114 763817332 /nfs/dbraw/zinc/81/73/32/763817332.db2.gz TUGMHVDUGWZGLZ-PKOBYXMFSA-N 1 1 344.503 0.855 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001047234499 763822922 /nfs/dbraw/zinc/82/29/22/763822922.db2.gz WBQSEHJBJOPASX-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001047234499 763822928 /nfs/dbraw/zinc/82/29/28/763822928.db2.gz WBQSEHJBJOPASX-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)n1cccn1 ZINC001052102639 763866602 /nfs/dbraw/zinc/86/66/02/763866602.db2.gz GGJJJUXNPBMCIN-HZPDHXFCSA-N 1 1 330.436 0.576 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H](C)n3cccn3)C2)CC1 ZINC001052103083 763868181 /nfs/dbraw/zinc/86/81/81/763868181.db2.gz LBERIBKUGNKKJP-SJORKVTESA-N 1 1 329.448 0.686 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106344435 768171765 /nfs/dbraw/zinc/17/17/65/768171765.db2.gz MVYYRAVRCFUWHV-GXTWGEPZSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106344435 768171771 /nfs/dbraw/zinc/17/17/71/768171771.db2.gz MVYYRAVRCFUWHV-GXTWGEPZSA-N 1 1 332.408 0.376 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)CC1 ZINC001052106135 763879673 /nfs/dbraw/zinc/87/96/73/763879673.db2.gz CQMNHCBATIAESJ-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)CC1 ZINC001052106135 763879687 /nfs/dbraw/zinc/87/96/87/763879687.db2.gz CQMNHCBATIAESJ-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001017596735 768171881 /nfs/dbraw/zinc/17/18/81/768171881.db2.gz MFWMXPPLOLHQDW-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001017596735 768171883 /nfs/dbraw/zinc/17/18/83/768171883.db2.gz MFWMXPPLOLHQDW-OAGGEKHMSA-N 1 1 335.448 0.733 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#CC)CC3)C2)cn1 ZINC001052109683 763896468 /nfs/dbraw/zinc/89/64/68/763896468.db2.gz GLJBTOCBKCHYRD-IBGZPJMESA-N 1 1 336.439 0.918 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212186981 763927006 /nfs/dbraw/zinc/92/70/06/763927006.db2.gz FTWFVZLVSGECAF-YNEHKIRRSA-N 1 1 336.354 0.919 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212186981 763927011 /nfs/dbraw/zinc/92/70/11/763927011.db2.gz FTWFVZLVSGECAF-YNEHKIRRSA-N 1 1 336.354 0.919 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3noc4c3COCC4)C2)CC1 ZINC001052118261 763931617 /nfs/dbraw/zinc/93/16/17/763931617.db2.gz ASPULRISPMTFKG-CQSZACIVSA-N 1 1 346.431 0.765 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)N1CCCCC1=O ZINC001052119767 763937793 /nfs/dbraw/zinc/93/77/93/763937793.db2.gz VNPLFHNRMSELSC-JKSUJKDBSA-N 1 1 347.463 0.129 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C2)CC1 ZINC001052121629 763943696 /nfs/dbraw/zinc/94/36/96/763943696.db2.gz FHBZGNRTZNAMTI-AWEZNQCLSA-N 1 1 343.431 0.199 20 30 ECEDMO CN(CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)c1ccccc1 ZINC001052122753 763947296 /nfs/dbraw/zinc/94/72/96/763947296.db2.gz ZMDTZKOZYTYXBR-GOSISDBHSA-N 1 1 341.459 0.865 20 30 ECEDMO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001031981923 763958515 /nfs/dbraw/zinc/95/85/15/763958515.db2.gz YALRLVOYVBSVGF-CABCVRRESA-N 1 1 342.399 0.236 20 30 ECEDMO CN(C(=O)c1cocn1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047323037 763994310 /nfs/dbraw/zinc/99/43/10/763994310.db2.gz LDFQEDBKCPYMJB-HOTGVXAUSA-N 1 1 326.356 0.864 20 30 ECEDMO CN(C(=O)c1cocn1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047323037 763994319 /nfs/dbraw/zinc/99/43/19/763994319.db2.gz LDFQEDBKCPYMJB-HOTGVXAUSA-N 1 1 326.356 0.864 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CCN(C(=O)Cc3c[nH]cn3)CC2)nc1 ZINC001017606085 768181388 /nfs/dbraw/zinc/18/13/88/768181388.db2.gz KZDAHNXYOFCHJD-UHFFFAOYSA-N 1 1 349.394 0.917 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)CC2)s1 ZINC001052183231 764020249 /nfs/dbraw/zinc/02/02/49/764020249.db2.gz AFMUSVINASRBAA-LBPRGKRZSA-N 1 1 345.432 0.777 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001052220257 764078301 /nfs/dbraw/zinc/07/83/01/764078301.db2.gz IFMQEIVRIQIMPP-LSDHHAIUSA-N 1 1 325.453 0.742 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccn[nH]3)CC2)C1=O ZINC001052223017 764085130 /nfs/dbraw/zinc/08/51/30/764085130.db2.gz AZLPRSXHNFQUME-ZFWWWQNUSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnns3)CC2)C1=O ZINC001052232795 764101037 /nfs/dbraw/zinc/10/10/37/764101037.db2.gz PNORUSBIMNEKLO-OLZOCXBDSA-N 1 1 349.460 0.909 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncnc3sccc32)C1 ZINC001047385538 764181435 /nfs/dbraw/zinc/18/14/35/764181435.db2.gz RIQOMNVBYXTTBN-STQMWFEESA-N 1 1 330.413 0.832 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncnc3sccc32)C1 ZINC001047385538 764181439 /nfs/dbraw/zinc/18/14/39/764181439.db2.gz RIQOMNVBYXTTBN-STQMWFEESA-N 1 1 330.413 0.832 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001047392497 764196397 /nfs/dbraw/zinc/19/63/97/764196397.db2.gz LNULCPREYAYPNL-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(=O)CC)c2)C1 ZINC001047398495 764216048 /nfs/dbraw/zinc/21/60/48/764216048.db2.gz RDTKJQKZMQEXHP-HOTGVXAUSA-N 1 1 329.400 0.785 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(=O)CC)c2)C1 ZINC001047398495 764216053 /nfs/dbraw/zinc/21/60/53/764216053.db2.gz RDTKJQKZMQEXHP-HOTGVXAUSA-N 1 1 329.400 0.785 20 30 ECEDMO C=CCn1cc(C(=O)NCC2C[NH+](Cc3c(C)noc3C)C2)nn1 ZINC001032034808 764223011 /nfs/dbraw/zinc/22/30/11/764223011.db2.gz FSAGMZDWCDXMMO-UHFFFAOYSA-N 1 1 330.392 0.931 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)F)n2)C1 ZINC001047401770 764227344 /nfs/dbraw/zinc/22/73/44/764227344.db2.gz BKFLQWVMLQWHQN-STQMWFEESA-N 1 1 326.347 0.348 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)F)n2)C1 ZINC001047401770 764227347 /nfs/dbraw/zinc/22/73/47/764227347.db2.gz BKFLQWVMLQWHQN-STQMWFEESA-N 1 1 326.347 0.348 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001047403160 764231947 /nfs/dbraw/zinc/23/19/47/764231947.db2.gz BQEAYAVCRUNBNO-HOTGVXAUSA-N 1 1 330.388 0.180 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001047404030 764234275 /nfs/dbraw/zinc/23/42/75/764234275.db2.gz QJQWYWYHGKLKMH-HOTGVXAUSA-N 1 1 330.388 0.180 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001047404030 764234285 /nfs/dbraw/zinc/23/42/85/764234285.db2.gz QJQWYWYHGKLKMH-HOTGVXAUSA-N 1 1 330.388 0.180 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2NC(C)=O)C1 ZINC001047405875 764241508 /nfs/dbraw/zinc/24/15/08/764241508.db2.gz ZSPHRKBSLPLOEP-GJZGRUSLSA-N 1 1 330.388 0.180 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2C[NH+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001032042355 764266692 /nfs/dbraw/zinc/26/66/92/764266692.db2.gz ZHSAXPVKCNFYHI-OAHLLOKOSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001047415326 764272993 /nfs/dbraw/zinc/27/29/93/764272993.db2.gz UBFKNECJXJDGIG-IHRRRGAJSA-N 1 1 347.381 0.540 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001047415326 764272998 /nfs/dbraw/zinc/27/29/98/764272998.db2.gz UBFKNECJXJDGIG-IHRRRGAJSA-N 1 1 347.381 0.540 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2nocc2C)C[C@@H]1O ZINC001047414999 764273218 /nfs/dbraw/zinc/27/32/18/764273218.db2.gz AVFXIEVNMQUKGH-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2nocc2C)C[C@@H]1O ZINC001047414999 764273225 /nfs/dbraw/zinc/27/32/25/764273225.db2.gz AVFXIEVNMQUKGH-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001047416416 764277640 /nfs/dbraw/zinc/27/76/40/764277640.db2.gz BANDPNBOIGIICQ-KBPBESRZSA-N 1 1 329.356 0.674 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3ccccc3n2)C1 ZINC001047432071 764325843 /nfs/dbraw/zinc/32/58/43/764325843.db2.gz YSLRBSZZDCXUEX-HOTGVXAUSA-N 1 1 326.400 0.404 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccc(OC)nn32)C1 ZINC001047432621 764327801 /nfs/dbraw/zinc/32/78/01/764327801.db2.gz CAQZSHYIVUAWIW-KBPBESRZSA-N 1 1 345.403 0.431 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2C(F)(F)F)C1 ZINC001047435733 764337015 /nfs/dbraw/zinc/33/70/15/764337015.db2.gz NWLUTEPMXWOFQG-UWVGGRQHSA-N 1 1 331.294 0.834 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2C(F)(F)F)C1 ZINC001047435733 764337023 /nfs/dbraw/zinc/33/70/23/764337023.db2.gz NWLUTEPMXWOFQG-UWVGGRQHSA-N 1 1 331.294 0.834 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(=O)[nH]ccc3n2)C1 ZINC001047435696 764337070 /nfs/dbraw/zinc/33/70/70/764337070.db2.gz MRHVYAXTPREEMX-HOTGVXAUSA-N 1 1 340.383 0.476 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(=O)[nH]ccc3n2)C1 ZINC001047435696 764337076 /nfs/dbraw/zinc/33/70/76/764337076.db2.gz MRHVYAXTPREEMX-HOTGVXAUSA-N 1 1 340.383 0.476 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccccc3c2O)C1 ZINC001047441175 764355385 /nfs/dbraw/zinc/35/53/85/764355385.db2.gz HIKGYPHIYCTZRO-HOTGVXAUSA-N 1 1 327.384 0.831 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccccc3c2O)C1 ZINC001047441175 764355389 /nfs/dbraw/zinc/35/53/89/764355389.db2.gz HIKGYPHIYCTZRO-HOTGVXAUSA-N 1 1 327.384 0.831 20 30 ECEDMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)ncc1=O ZINC001015323322 764366807 /nfs/dbraw/zinc/36/68/07/764366807.db2.gz HVTWMUWLKBYKMU-HNNXBMFYSA-N 1 1 337.383 0.656 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)c3cccnc32)C1 ZINC001047465636 764423266 /nfs/dbraw/zinc/42/32/66/764423266.db2.gz CTKGGSHHOPOHRX-HOTGVXAUSA-N 1 1 343.431 0.819 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)c3cccnc32)C1 ZINC001047466303 764425050 /nfs/dbraw/zinc/42/50/50/764425050.db2.gz OOQWDUABPQAXFQ-HOTGVXAUSA-N 1 1 341.415 0.267 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001047468494 764428477 /nfs/dbraw/zinc/42/84/77/764428477.db2.gz JLAPCHPONIXSFU-KKUMJFAQSA-N 1 1 333.436 0.229 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001047471636 764438780 /nfs/dbraw/zinc/43/87/80/764438780.db2.gz RCMPUHUVUWNBKN-KBMXLJTQSA-N 1 1 348.447 0.997 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CNC(=O)C1 ZINC001015374651 764470851 /nfs/dbraw/zinc/47/08/51/764470851.db2.gz DPCCVRZWDPOJTJ-QAPCUYQASA-N 1 1 326.400 0.775 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001047502111 764529408 /nfs/dbraw/zinc/52/94/08/764529408.db2.gz VQQZPPPFGHTXSP-SOUVJXGZSA-N 1 1 332.404 0.402 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047504092 764535337 /nfs/dbraw/zinc/53/53/37/764535337.db2.gz ZUYWIFOMHMLHBT-IHRRRGAJSA-N 1 1 347.381 0.397 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001047503898 764535487 /nfs/dbraw/zinc/53/54/87/764535487.db2.gz PHXHDUPDNAUSLK-COXVUDFISA-N 1 1 347.463 0.390 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nc(C)no2)CC1 ZINC001052457300 764541335 /nfs/dbraw/zinc/54/13/35/764541335.db2.gz QYAASWPXKNSART-HOTGVXAUSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nc(C)no2)CC1 ZINC001052457300 764541342 /nfs/dbraw/zinc/54/13/42/764541342.db2.gz QYAASWPXKNSART-HOTGVXAUSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098766760 764564692 /nfs/dbraw/zinc/56/46/92/764564692.db2.gz GRBKBTUNSOOIOB-RDJZCZTQSA-N 1 1 344.463 0.506 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766760 764564698 /nfs/dbraw/zinc/56/46/98/764564698.db2.gz GRBKBTUNSOOIOB-RDJZCZTQSA-N 1 1 344.463 0.506 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)c1 ZINC001047520792 764577749 /nfs/dbraw/zinc/57/77/49/764577749.db2.gz CDDSAHAMGNQUMH-SZMVWBNQSA-N 1 1 343.427 0.607 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)c1 ZINC001047521118 764579047 /nfs/dbraw/zinc/57/90/47/764579047.db2.gz KQZVJZHJLVLSJS-BZSNNMDCSA-N 1 1 343.427 0.749 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(CC)ncnc2CC)C1 ZINC001047531069 764612616 /nfs/dbraw/zinc/61/26/16/764612616.db2.gz HCMVACGWCUTZLL-HOTGVXAUSA-N 1 1 330.432 0.742 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001060406440 764622107 /nfs/dbraw/zinc/62/21/07/764622107.db2.gz ALCVWHCBZIZCPI-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001047537221 764627997 /nfs/dbraw/zinc/62/79/97/764627997.db2.gz YUEYFIGCMUFLJD-ILXRZTDVSA-N 1 1 348.451 0.095 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2c3ccccc3CC2=O)C1 ZINC001047544814 764649433 /nfs/dbraw/zinc/64/94/33/764649433.db2.gz INQHINMZXPEHSN-IRXDYDNUSA-N 1 1 343.427 0.655 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)[C@H]2C[N@@H+]([C@H](C)COC)C[C@@H]2O)cc1 ZINC001047555647 764685345 /nfs/dbraw/zinc/68/53/45/764685345.db2.gz KHBCUNIPKSFJDN-JLSDUUJJSA-N 1 1 346.427 0.851 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001047562390 764698212 /nfs/dbraw/zinc/69/82/12/764698212.db2.gz QNXHPHFNCFZLDG-RYUDHWBXSA-N 1 1 348.432 0.621 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001047562390 764698214 /nfs/dbraw/zinc/69/82/14/764698214.db2.gz QNXHPHFNCFZLDG-RYUDHWBXSA-N 1 1 348.432 0.621 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1OC ZINC001212193542 764745072 /nfs/dbraw/zinc/74/50/72/764745072.db2.gz GVZUIVUMCRFZHL-ZHALLVOQSA-N 1 1 348.443 0.821 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000943972926 764750034 /nfs/dbraw/zinc/75/00/34/764750034.db2.gz ABWQVEZKVJHBBN-DAXOMENPSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001052563702 764765632 /nfs/dbraw/zinc/76/56/32/764765632.db2.gz WDFDLTLHLUAXJG-AWEZNQCLSA-N 1 1 327.450 0.016 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1OC ZINC001212194448 764770765 /nfs/dbraw/zinc/77/07/65/764770765.db2.gz SEEKTGXXGYDSES-INMHGKMJSA-N 1 1 326.437 0.698 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001047589018 764792999 /nfs/dbraw/zinc/79/29/99/764792999.db2.gz YJBJXJXYWVNDFS-ILXRZTDVSA-N 1 1 344.477 0.281 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001047589018 764793005 /nfs/dbraw/zinc/79/30/05/764793005.db2.gz YJBJXJXYWVNDFS-ILXRZTDVSA-N 1 1 344.477 0.281 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(Cl)no3)C2)C1=O ZINC001032144606 764799153 /nfs/dbraw/zinc/79/91/53/764799153.db2.gz YSGVQFNYSDUCMJ-LLVKDONJSA-N 1 1 338.795 0.777 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3csnn3)CC2)C1=O ZINC001052598823 764826642 /nfs/dbraw/zinc/82/66/42/764826642.db2.gz ORJUVUCRSHAMFI-GXTWGEPZSA-N 1 1 349.460 0.909 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)cn1 ZINC001047599251 764836104 /nfs/dbraw/zinc/83/61/04/764836104.db2.gz NLZBPXYALOVWMU-JQFCIGGWSA-N 1 1 329.400 0.217 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)cn1 ZINC001047599221 764836872 /nfs/dbraw/zinc/83/68/72/764836872.db2.gz MJWYMOQFAFCBMX-ROUUACIJSA-N 1 1 343.427 0.749 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001015513178 764845620 /nfs/dbraw/zinc/84/56/20/764845620.db2.gz BJGVLDKTVBVAST-LSDHHAIUSA-N 1 1 327.388 0.272 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001015513432 764847597 /nfs/dbraw/zinc/84/75/97/764847597.db2.gz DPGLBIYKYZZRBR-GWCFXTLKSA-N 1 1 333.417 0.334 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001015513432 764847605 /nfs/dbraw/zinc/84/76/05/764847605.db2.gz DPGLBIYKYZZRBR-GWCFXTLKSA-N 1 1 333.417 0.334 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+]([C@H](C)COC)C[C@@H]1O ZINC001047602106 764848371 /nfs/dbraw/zinc/84/83/71/764848371.db2.gz ZOQDQVPLCMLNNQ-KBMXLJTQSA-N 1 1 347.415 0.246 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001089888407 764870909 /nfs/dbraw/zinc/87/09/09/764870909.db2.gz FYBIVTKJPWINKQ-AJNGGQMLSA-N 1 1 346.431 0.235 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(C)n3)[C@H]2C)C1=O ZINC001089046334 764888655 /nfs/dbraw/zinc/88/86/55/764888655.db2.gz DOVGZHHXYMPUJM-INWMFGNUSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnc(C)n3)[C@H]2C)C1=O ZINC001089046334 764888662 /nfs/dbraw/zinc/88/86/62/764888662.db2.gz DOVGZHHXYMPUJM-INWMFGNUSA-N 1 1 343.431 0.765 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001047618602 764897868 /nfs/dbraw/zinc/89/78/68/764897868.db2.gz HTIDSNRVSFJQDR-GJZGRUSLSA-N 1 1 332.404 0.870 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3nccc(C)n3n2)C1 ZINC001047618793 764898802 /nfs/dbraw/zinc/89/88/02/764898802.db2.gz OTKMENWUWWNAEY-KBPBESRZSA-N 1 1 344.419 0.516 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(C)=O)CC2)C1 ZINC001047621198 764904824 /nfs/dbraw/zinc/90/48/24/764904824.db2.gz IEXPHRBOKJSPMM-IRXDYDNUSA-N 1 1 337.464 0.715 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c3ccccc3oc2=O)C1 ZINC001047624340 764914232 /nfs/dbraw/zinc/91/42/32/764914232.db2.gz LLCUXPQBABARHR-GJZGRUSLSA-N 1 1 345.399 0.674 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)NC(=O)COC ZINC001099093062 764915768 /nfs/dbraw/zinc/91/57/68/764915768.db2.gz LTKNJANMHDGBMI-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO N#CCN1CC[C@]2(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991959254 764946655 /nfs/dbraw/zinc/94/66/55/764946655.db2.gz XXWXTXLJRQJDBM-CSNMLKFASA-N 1 1 330.432 0.486 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3n[nH]cc3F)CC2)C1=O ZINC001052691757 764996748 /nfs/dbraw/zinc/99/67/48/764996748.db2.gz YHJCVMKIZURGBQ-JSGCOSHPSA-N 1 1 349.410 0.920 20 30 ECEDMO C#CCNCc1cn([C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001098775507 765032787 /nfs/dbraw/zinc/03/27/87/765032787.db2.gz ZQXNGGUAHGQKBJ-MRXNPFEDSA-N 1 1 332.452 0.506 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-n4cnnn4)cn3)CCC[C@H]12 ZINC000991978032 765035083 /nfs/dbraw/zinc/03/50/83/765035083.db2.gz WDSISNNWHNYFIR-RDJZCZTQSA-N 1 1 339.403 0.970 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001052762097 765077454 /nfs/dbraw/zinc/07/74/54/765077454.db2.gz VCOOKPKKKMXMNV-CYBMUJFWSA-N 1 1 334.420 0.244 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001060417862 765108972 /nfs/dbraw/zinc/10/89/72/765108972.db2.gz BBHFEORLFFMISL-XVTHAXPKSA-N 1 1 340.431 0.772 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001052783412 765113602 /nfs/dbraw/zinc/11/36/02/765113602.db2.gz DXIDWYBDNCZURF-UIORMTCPSA-N 1 1 334.420 0.521 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C[C@H](O)CN3C(=O)CCC3=O)C2)C1 ZINC001015671271 765145021 /nfs/dbraw/zinc/14/50/21/765145021.db2.gz WYQQUXAOQYIOPF-KGLIPLIRSA-N 1 1 349.431 0.043 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001015678500 765150597 /nfs/dbraw/zinc/15/05/97/765150597.db2.gz JDALUNRRMBPPNF-MRXNPFEDSA-N 1 1 326.400 0.489 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ncccn3)CC2)C1=O ZINC001052811916 765165162 /nfs/dbraw/zinc/16/51/62/765165162.db2.gz UOOJMSDYLDRDQS-GJZGRUSLSA-N 1 1 343.431 0.848 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)s1 ZINC001015697429 765182297 /nfs/dbraw/zinc/18/22/97/765182297.db2.gz SYXTXIQPGRFKKJ-DDTOSNHZSA-N 1 1 348.428 0.343 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)s1 ZINC001015697429 765182299 /nfs/dbraw/zinc/18/22/99/765182299.db2.gz SYXTXIQPGRFKKJ-DDTOSNHZSA-N 1 1 348.428 0.343 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001052845231 765218502 /nfs/dbraw/zinc/21/85/02/765218502.db2.gz VTYNCSGOARGJRJ-CQSZACIVSA-N 1 1 336.436 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](CNC(=O)COC)CC1 ZINC001054788743 768275674 /nfs/dbraw/zinc/27/56/74/768275674.db2.gz SQQJJOSLPZHXPX-ULQDDVLXSA-N 1 1 349.475 0.769 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](CNC(=O)COC)CC1 ZINC001054788743 768275679 /nfs/dbraw/zinc/27/56/79/768275679.db2.gz SQQJJOSLPZHXPX-ULQDDVLXSA-N 1 1 349.475 0.769 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000992044047 765270147 /nfs/dbraw/zinc/27/01/47/765270147.db2.gz DTGSXQYKJJLILH-OPFPJEHXSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001052920180 765349035 /nfs/dbraw/zinc/34/90/35/765349035.db2.gz VHQDASIORTYNCF-LBPRGKRZSA-N 1 1 342.827 0.604 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cscn3)C2)C1=O ZINC001015802207 765350335 /nfs/dbraw/zinc/35/03/35/765350335.db2.gz GIZWFFIQYMAVND-GXTWGEPZSA-N 1 1 334.445 0.663 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cscn3)C2)C1=O ZINC001015802207 765350344 /nfs/dbraw/zinc/35/03/44/765350344.db2.gz GIZWFFIQYMAVND-GXTWGEPZSA-N 1 1 334.445 0.663 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)C1CC(=O)NC(=O)C1 ZINC001015836722 765410121 /nfs/dbraw/zinc/41/01/21/765410121.db2.gz JAYXFQIUZPXUHN-MRXNPFEDSA-N 1 1 339.395 0.281 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)C1CC(=O)NC(=O)C1 ZINC001015836722 765410131 /nfs/dbraw/zinc/41/01/31/765410131.db2.gz JAYXFQIUZPXUHN-MRXNPFEDSA-N 1 1 339.395 0.281 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(CC(=O)NC)CC2)CC1 ZINC001052959492 765415879 /nfs/dbraw/zinc/41/58/79/765415879.db2.gz VSDUOPZEQUCUAV-MRXNPFEDSA-N 1 1 334.464 0.048 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(CC)nn3C)C2)C1=O ZINC001015897306 765511421 /nfs/dbraw/zinc/51/14/21/765511421.db2.gz LFTVHNYIEDUDDG-GJZGRUSLSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(CC)nn3C)C2)C1=O ZINC001015897306 765511426 /nfs/dbraw/zinc/51/14/26/765511426.db2.gz LFTVHNYIEDUDDG-GJZGRUSLSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001053046882 765524609 /nfs/dbraw/zinc/52/46/09/765524609.db2.gz NYUGICDPDNKOFD-LSDHHAIUSA-N 1 1 348.447 0.675 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000992121646 765558936 /nfs/dbraw/zinc/55/89/36/765558936.db2.gz WQCOLMMPLDGPFJ-GNHJJJEISA-N 1 1 340.427 0.639 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001053084815 765561553 /nfs/dbraw/zinc/56/15/53/765561553.db2.gz XCMRIXYGEQPWRT-ZBFHGGJFSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001053084815 765561557 /nfs/dbraw/zinc/56/15/57/765561557.db2.gz XCMRIXYGEQPWRT-ZBFHGGJFSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001053093500 765570251 /nfs/dbraw/zinc/57/02/51/765570251.db2.gz NSVNMIBURDSDQU-SJORKVTESA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cnnn2)C1 ZINC001053102995 765580835 /nfs/dbraw/zinc/58/08/35/765580835.db2.gz YRQHGBGISRPKDE-CVEARBPZSA-N 1 1 330.436 0.790 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001017706866 768311452 /nfs/dbraw/zinc/31/14/52/768311452.db2.gz UHIBJIKAMXKGJZ-TXEJJXNPSA-N 1 1 339.417 0.792 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H](O)CNc2cc(CC)[nH+]c(C)n2)c1 ZINC001106099586 765696810 /nfs/dbraw/zinc/69/68/10/765696810.db2.gz DJBQAVZKIUSDDV-INIZCTEOSA-N 1 1 339.399 0.927 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)ccc1F ZINC000992165196 765729616 /nfs/dbraw/zinc/72/96/16/765729616.db2.gz ZQGJISXRBOVBRP-RHSMWYFYSA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)ccc1F ZINC000992165196 765729619 /nfs/dbraw/zinc/72/96/19/765729619.db2.gz ZQGJISXRBOVBRP-RHSMWYFYSA-N 1 1 330.363 0.796 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)nc1 ZINC001016026747 765730357 /nfs/dbraw/zinc/73/03/57/765730357.db2.gz IOIRKEXLBSARSO-HOTGVXAUSA-N 1 1 340.427 0.783 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc1F ZINC001016028686 765731086 /nfs/dbraw/zinc/73/10/86/765731086.db2.gz AUDRMEQXXBAOJX-ZFWWWQNUSA-N 1 1 330.363 0.666 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc1F ZINC001016028686 765731088 /nfs/dbraw/zinc/73/10/88/765731088.db2.gz AUDRMEQXXBAOJX-ZFWWWQNUSA-N 1 1 330.363 0.666 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H](C)C(N)=O)CC3)c1 ZINC000992173578 765766792 /nfs/dbraw/zinc/76/67/92/765766792.db2.gz GGQNYJNENMPOHL-QITLCBANSA-N 1 1 326.400 0.664 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@@H](C)C(N)=O)CC3)c1 ZINC000992173578 765766794 /nfs/dbraw/zinc/76/67/94/765766794.db2.gz GGQNYJNENMPOHL-QITLCBANSA-N 1 1 326.400 0.664 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)c1 ZINC000992175731 765774177 /nfs/dbraw/zinc/77/41/77/765774177.db2.gz JDXKYNGKDRVHTL-QAPCUYQASA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)c1 ZINC000992175731 765774181 /nfs/dbraw/zinc/77/41/81/765774181.db2.gz JDXKYNGKDRVHTL-QAPCUYQASA-N 1 1 326.400 0.536 20 30 ECEDMO N#Cc1cc(C(=O)N2CCOC3(C[NH+](C[C@H]4CCOC4)C3)C2)c[nH]1 ZINC001053227276 765795866 /nfs/dbraw/zinc/79/58/66/765795866.db2.gz XSFSIYBBPPRSNJ-CYBMUJFWSA-N 1 1 330.388 0.450 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001106108032 765841645 /nfs/dbraw/zinc/84/16/45/765841645.db2.gz FUSZVEXCTBHBLS-TZMCWYRMSA-N 1 1 332.408 0.030 20 30 ECEDMO Cn1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)ccc1=O ZINC001016180773 765874917 /nfs/dbraw/zinc/87/49/17/765874917.db2.gz KDELIXLWRPUDIH-INIZCTEOSA-N 1 1 336.395 0.636 20 30 ECEDMO Cn1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)ccc1=O ZINC001016180773 765874921 /nfs/dbraw/zinc/87/49/21/765874921.db2.gz KDELIXLWRPUDIH-INIZCTEOSA-N 1 1 336.395 0.636 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1)CC(C)(C)C ZINC001106109376 765876108 /nfs/dbraw/zinc/87/61/08/765876108.db2.gz XQMGUKARKNYKOA-AWEZNQCLSA-N 1 1 333.436 0.820 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cnsn2)C1 ZINC000992207567 765895093 /nfs/dbraw/zinc/89/50/93/765895093.db2.gz NOKLDFPZRRSEKA-YIZWMMSDSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cnsn2)C1 ZINC000992207567 765895098 /nfs/dbraw/zinc/89/50/98/765895098.db2.gz NOKLDFPZRRSEKA-YIZWMMSDSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)[C@@H]2CCCO2)C1 ZINC000992208592 765903089 /nfs/dbraw/zinc/90/30/89/765903089.db2.gz RBBLXJNNFDPJPI-CKUJCDMFSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)[C@@H]2CCCO2)C1 ZINC000992208592 765903094 /nfs/dbraw/zinc/90/30/94/765903094.db2.gz RBBLXJNNFDPJPI-CKUJCDMFSA-N 1 1 333.432 0.274 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3c(C)noc3C)C2)C1=O ZINC001016236379 765956148 /nfs/dbraw/zinc/95/61/48/765956148.db2.gz ZSZFRCAQYVMSGN-GOEBONIOSA-N 1 1 346.431 0.811 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3c(C)noc3C)C2)C1=O ZINC001016236379 765956151 /nfs/dbraw/zinc/95/61/51/765956151.db2.gz ZSZFRCAQYVMSGN-GOEBONIOSA-N 1 1 346.431 0.811 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3c(C)n[nH]c3C)C2)C1=O ZINC001016239715 765960570 /nfs/dbraw/zinc/96/05/70/765960570.db2.gz VKZBRBRPMJOXTI-HOCLYGCPSA-N 1 1 345.447 0.546 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3c(C)n[nH]c3C)C2)C1=O ZINC001016239715 765960576 /nfs/dbraw/zinc/96/05/76/765960576.db2.gz VKZBRBRPMJOXTI-HOCLYGCPSA-N 1 1 345.447 0.546 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCOC3(CN(CC#N)C3)C1)CC2 ZINC001053393476 766074932 /nfs/dbraw/zinc/07/49/32/766074932.db2.gz NEVOVMSEDVHMSG-AWEZNQCLSA-N 1 1 329.404 0.191 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000992261956 766092345 /nfs/dbraw/zinc/09/23/45/766092345.db2.gz BJFXVWQFNVBALC-PCKAHOCUSA-N 1 1 340.427 0.639 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001089221540 766096087 /nfs/dbraw/zinc/09/60/87/766096087.db2.gz FIJCPEWKKGZBMP-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cocn2)C1 ZINC001016320773 766108659 /nfs/dbraw/zinc/10/86/59/766108659.db2.gz LIPZORFCXOYEFK-PIMMBPRGSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cocn2)C1 ZINC001016320773 766108666 /nfs/dbraw/zinc/10/86/66/766108666.db2.gz LIPZORFCXOYEFK-PIMMBPRGSA-N 1 1 330.388 0.491 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001016358157 766182677 /nfs/dbraw/zinc/18/26/77/766182677.db2.gz YNSVKXWDXPIFQL-DZGCQCFKSA-N 1 1 331.416 0.858 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001016358157 766182681 /nfs/dbraw/zinc/18/26/81/766182681.db2.gz YNSVKXWDXPIFQL-DZGCQCFKSA-N 1 1 331.416 0.858 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCN(C)S3(=O)=O)CCC[C@@H]12 ZINC000992305608 766221031 /nfs/dbraw/zinc/22/10/31/766221031.db2.gz DESXNSBXLBLMNH-IIAWOOMASA-N 1 1 339.461 0.157 20 30 ECEDMO C#CCN1CC[C@@]2(NC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC000992310886 766232239 /nfs/dbraw/zinc/23/22/39/766232239.db2.gz NDXUSNRLKPBXHS-AEFFLSMTSA-N 1 1 329.448 0.805 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@H](C)C(=O)NC)CC3)nn1 ZINC000992312276 766243031 /nfs/dbraw/zinc/24/30/31/766243031.db2.gz ZWDKXLMOMOLTDT-MRRJBJDNSA-N 1 1 346.435 0.325 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNc1cc(CC)[nH+]c(C)n1 ZINC001106125413 766256820 /nfs/dbraw/zinc/25/68/20/766256820.db2.gz UMYUFCXBWZPFHW-ZNMIVQPWSA-N 1 1 334.420 0.828 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](C[C@H]4CCOC4)C3)C2)nc1 ZINC001053512327 766264880 /nfs/dbraw/zinc/26/48/80/766264880.db2.gz PAMHREDQZRZCNI-MRXNPFEDSA-N 1 1 341.411 0.626 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)CCO2 ZINC001053554485 766323796 /nfs/dbraw/zinc/32/37/96/766323796.db2.gz PBJBFBYJQREQQD-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992348883 766347748 /nfs/dbraw/zinc/34/77/48/766347748.db2.gz GDVOJNHVIAVHNS-DYVFJYSZSA-N 1 1 330.388 0.485 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001045772512 766349887 /nfs/dbraw/zinc/34/98/87/766349887.db2.gz HRHSCWVVXHCSRC-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ncc[nH]2)C1 ZINC001016483305 766360865 /nfs/dbraw/zinc/36/08/65/766360865.db2.gz XSHDUGOTXATYRU-RUXDESIVSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ncc[nH]2)C1 ZINC001016483305 766360873 /nfs/dbraw/zinc/36/08/73/766360873.db2.gz XSHDUGOTXATYRU-RUXDESIVSA-N 1 1 329.404 0.227 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001045784618 766368283 /nfs/dbraw/zinc/36/82/83/766368283.db2.gz DKVBMUKTESZDMQ-INIZCTEOSA-N 1 1 334.420 0.483 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250647 766409972 /nfs/dbraw/zinc/40/99/72/766409972.db2.gz DMVMXXRCIUWLNW-GVDBMIGSSA-N 1 1 336.432 0.411 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccn3nnnc13)O2 ZINC001053604584 766415233 /nfs/dbraw/zinc/41/52/33/766415233.db2.gz KEPJYHRMJAQZSK-ZDUSSCGKSA-N 1 1 340.387 0.111 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3n[nH]nc3n1)O2 ZINC001053608901 766425817 /nfs/dbraw/zinc/42/58/17/766425817.db2.gz OGAFLBJGJKWTIJ-GFCCVEGCSA-N 1 1 340.387 0.339 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@@H]12 ZINC000992375916 766427074 /nfs/dbraw/zinc/42/70/74/766427074.db2.gz FKNIKTHRTDMTQG-ACJLOTCBSA-N 1 1 346.431 0.453 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001016522539 766427617 /nfs/dbraw/zinc/42/76/17/766427617.db2.gz JQZFKIHTIQFYEF-IYXRBSQSSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnnn1C ZINC001045849814 766433071 /nfs/dbraw/zinc/43/30/71/766433071.db2.gz BARUKPKHPYBKGX-WTTBNOFXSA-N 1 1 345.447 0.972 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnnn1C ZINC001045849814 766433076 /nfs/dbraw/zinc/43/30/76/766433076.db2.gz BARUKPKHPYBKGX-WTTBNOFXSA-N 1 1 345.447 0.972 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@@H]12 ZINC000992380246 766435198 /nfs/dbraw/zinc/43/51/98/766435198.db2.gz MBPIAOYJQOEJHE-PXAZEXFGSA-N 1 1 334.420 0.616 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001045957304 766529249 /nfs/dbraw/zinc/52/92/49/766529249.db2.gz ZOXJMIOOBNDNDT-LJQANCHMSA-N 1 1 348.491 0.699 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001045974697 766545179 /nfs/dbraw/zinc/54/51/79/766545179.db2.gz JREIJQLNAZKKPQ-SFHVURJKSA-N 1 1 346.431 0.266 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001045983540 766554842 /nfs/dbraw/zinc/55/48/42/766554842.db2.gz PHSGBDFQMYWQPK-SFHVURJKSA-N 1 1 348.447 0.771 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001045983493 766554876 /nfs/dbraw/zinc/55/48/76/766554876.db2.gz OHUHXUWQPBFTEC-GOSISDBHSA-N 1 1 344.415 0.437 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(N)=O)C2 ZINC001045986910 766559050 /nfs/dbraw/zinc/55/90/50/766559050.db2.gz DQSOAZXNRZMYDV-YJBOKZPZSA-N 1 1 332.448 0.867 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@H]12 ZINC000992436782 766565265 /nfs/dbraw/zinc/56/52/65/766565265.db2.gz XGBKKGIBQVFJFM-GUYCJALGSA-N 1 1 342.403 0.721 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)nn1 ZINC001098778892 766591503 /nfs/dbraw/zinc/59/15/03/766591503.db2.gz CQGYTYBFPMLICP-AWEZNQCLSA-N 1 1 328.376 0.742 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 ZINC001046000309 766599520 /nfs/dbraw/zinc/59/95/20/766599520.db2.gz PGFSTEGXIUTYMK-KRWDZBQOSA-N 1 1 328.416 0.175 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC001046001045 766600731 /nfs/dbraw/zinc/60/07/31/766600731.db2.gz CQZCJBQHZYTNTG-INIZCTEOSA-N 1 1 334.464 0.403 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12 ZINC000992453696 766612769 /nfs/dbraw/zinc/61/27/69/766612769.db2.gz HSDURHGOPJPZRG-RHSMWYFYSA-N 1 1 331.420 0.027 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccnc1C(N)=O)O2 ZINC001053699549 766617292 /nfs/dbraw/zinc/61/72/92/766617292.db2.gz GCLZFQOXZDOZHA-ZDUSSCGKSA-N 1 1 342.399 0.167 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 ZINC001046007629 766621395 /nfs/dbraw/zinc/62/13/95/766621395.db2.gz FHELKHJKDNGNAY-IAGOWNOFSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 ZINC001046007628 766621553 /nfs/dbraw/zinc/62/15/53/766621553.db2.gz FHELKHJKDNGNAY-DLBZAZTESA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(N)=O)ccn1)O2 ZINC001053707398 766634342 /nfs/dbraw/zinc/63/43/42/766634342.db2.gz HJCFTBICLSOUFR-CQSZACIVSA-N 1 1 342.399 0.167 20 30 ECEDMO Cc1nocc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046013248 766642805 /nfs/dbraw/zinc/64/28/05/766642805.db2.gz VIYWXHYGUSGGJK-CZUORRHYSA-N 1 1 331.420 0.861 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cccc(=O)[nH]3)CC2)C1 ZINC001046015243 766647425 /nfs/dbraw/zinc/64/74/25/766647425.db2.gz NAAMCUUQKVATMU-HNNXBMFYSA-N 1 1 328.416 0.643 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001046017003 766652418 /nfs/dbraw/zinc/65/24/18/766652418.db2.gz JQZYFOOKZMFUGQ-HIFRSBDPSA-N 1 1 331.420 0.099 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001213271000 766665632 /nfs/dbraw/zinc/66/56/32/766665632.db2.gz CNFFKHJVMFVBSA-ZIAGYGMSSA-N 1 1 340.468 0.722 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001213271000 766665637 /nfs/dbraw/zinc/66/56/37/766665637.db2.gz CNFFKHJVMFVBSA-ZIAGYGMSSA-N 1 1 340.468 0.722 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046022096 766668649 /nfs/dbraw/zinc/66/86/49/766668649.db2.gz OMPNPOVECVTRDM-DZGCQCFKSA-N 1 1 331.420 0.099 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)no3)CC2)C1 ZINC001046023229 766672416 /nfs/dbraw/zinc/67/24/16/766672416.db2.gz INSNRUGKBBGMEZ-AWEZNQCLSA-N 1 1 332.404 0.539 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnnc(C)c3)CC2)C1 ZINC001046025135 766678581 /nfs/dbraw/zinc/67/85/81/766678581.db2.gz VFIGURNWHCUZRN-KRWDZBQOSA-N 1 1 327.432 0.640 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992483985 766685699 /nfs/dbraw/zinc/68/56/99/766685699.db2.gz ZKYVBWNHYRAPMB-CXAGYDPISA-N 1 1 332.404 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C2=COCCO2)C1 ZINC001016668593 766696324 /nfs/dbraw/zinc/69/63/24/766696324.db2.gz QSKNVWCPSOMAGQ-NRXISQOPSA-N 1 1 347.415 0.078 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C2=COCCO2)C1 ZINC001016668593 766696327 /nfs/dbraw/zinc/69/63/27/766696327.db2.gz QSKNVWCPSOMAGQ-NRXISQOPSA-N 1 1 347.415 0.078 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@H]2CCOC2)C1 ZINC001016669780 766697824 /nfs/dbraw/zinc/69/78/24/766697824.db2.gz BKVSFPFAZCXSAF-LBDPXKHJSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@H]2CCOC2)C1 ZINC001016669780 766697827 /nfs/dbraw/zinc/69/78/27/766697827.db2.gz BKVSFPFAZCXSAF-LBDPXKHJSA-N 1 1 333.432 0.226 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cncc4nc[nH]c43)CC2)C1 ZINC001046031390 766701019 /nfs/dbraw/zinc/70/10/19/766701019.db2.gz OGLXMFKEXIPAKY-AWEZNQCLSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]cc4ncnc3-4)CC2)C1 ZINC001046031390 766701024 /nfs/dbraw/zinc/70/10/24/766701024.db2.gz OGLXMFKEXIPAKY-AWEZNQCLSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]cc4ncnc3-4)CC2)C1 ZINC001046031390 766701030 /nfs/dbraw/zinc/70/10/30/766701030.db2.gz OGLXMFKEXIPAKY-AWEZNQCLSA-N 1 1 340.431 0.976 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn(C)c3C)CC2)C1 ZINC001046032515 766705746 /nfs/dbraw/zinc/70/57/46/766705746.db2.gz DXUPXOJNYQCWQV-SFHVURJKSA-N 1 1 343.475 0.513 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccn(CC)n3)CC2)C1 ZINC001046032970 766706885 /nfs/dbraw/zinc/70/68/85/766706885.db2.gz PHKNMIIXKCOZIC-SFHVURJKSA-N 1 1 343.475 0.687 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)CC2)C1 ZINC001046032737 766706925 /nfs/dbraw/zinc/70/69/25/766706925.db2.gz IIVFHMWFJIUKQZ-WMZOPIPTSA-N 1 1 343.475 0.679 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033541 766709997 /nfs/dbraw/zinc/70/99/97/766709997.db2.gz HEWFPKQDYNELHW-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2csc(C)n2)C1 ZINC000994753575 766712255 /nfs/dbraw/zinc/71/22/55/766712255.db2.gz JAZRDLWPYOCBKY-HNNXBMFYSA-N 1 1 346.456 0.419 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2csc(C)n2)C1 ZINC000994753575 766712258 /nfs/dbraw/zinc/71/22/58/766712258.db2.gz JAZRDLWPYOCBKY-HNNXBMFYSA-N 1 1 346.456 0.419 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@@H]12 ZINC000992497448 766713744 /nfs/dbraw/zinc/71/37/44/766713744.db2.gz JQPNFFSNRZWXAE-GZBFAFLISA-N 1 1 327.450 0.367 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046034429 766714384 /nfs/dbraw/zinc/71/43/84/766714384.db2.gz VNXSMALEQBYVTF-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cc(OC)no3)CC2)C1 ZINC001046034285 766715004 /nfs/dbraw/zinc/71/50/04/766715004.db2.gz RIFBNVMYKOXUPS-HNNXBMFYSA-N 1 1 346.431 0.468 20 30 ECEDMO CCN(c1ccc(C#N)cn1)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089627030 766717825 /nfs/dbraw/zinc/71/78/25/766717825.db2.gz JPPIWIBJNOWWPD-HIFRSBDPSA-N 1 1 331.420 0.615 20 30 ECEDMO CCN(c1ccc(C#N)cn1)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089627030 766717833 /nfs/dbraw/zinc/71/78/33/766717833.db2.gz JPPIWIBJNOWWPD-HIFRSBDPSA-N 1 1 331.420 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC2CC(OCC)C2)C1 ZINC000994755374 766719245 /nfs/dbraw/zinc/71/92/45/766719245.db2.gz RLRWZVPJLDVPKB-PREGVCBESA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC2CC(OCC)C2)C1 ZINC000994755374 766719249 /nfs/dbraw/zinc/71/92/49/766719249.db2.gz RLRWZVPJLDVPKB-PREGVCBESA-N 1 1 347.459 0.616 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nnn3CC)CC2)C1 ZINC001046035282 766720006 /nfs/dbraw/zinc/72/00/06/766720006.db2.gz IOFXAKIMUJRTTI-HNNXBMFYSA-N 1 1 332.452 0.625 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC000994756520 766721890 /nfs/dbraw/zinc/72/18/90/766721890.db2.gz XTIUICPLSWLCMX-JSGCOSHPSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC000994756520 766721895 /nfs/dbraw/zinc/72/18/95/766721895.db2.gz XTIUICPLSWLCMX-JSGCOSHPSA-N 1 1 339.386 0.846 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046035986 766724433 /nfs/dbraw/zinc/72/44/33/766724433.db2.gz XURLDOJUHKJHNW-QZTJIDSGSA-N 1 1 347.507 0.706 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3CC#C)CC2)C1 ZINC001046036331 766725841 /nfs/dbraw/zinc/72/58/41/766725841.db2.gz HEZMLCBMAGAMTK-OALUTQOASA-N 1 1 342.487 0.326 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001046036209 766726133 /nfs/dbraw/zinc/72/61/33/766726133.db2.gz CTXGRIMEWCRDMI-ULQDDVLXSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001046036203 766726193 /nfs/dbraw/zinc/72/61/93/766726193.db2.gz CNUVFHVXIRGYPE-OALUTQOASA-N 1 1 344.503 0.713 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc4n3CCC4)CC2)C1 ZINC001046036486 766727210 /nfs/dbraw/zinc/72/72/10/766727210.db2.gz LOFYTELHLNLKQV-HNNXBMFYSA-N 1 1 327.432 0.295 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncs3)CC2)C1 ZINC001046037503 766734110 /nfs/dbraw/zinc/73/41/10/766734110.db2.gz RBRDNWSCWXGSHM-OAHLLOKOSA-N 1 1 332.473 0.927 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC001046037606 766735057 /nfs/dbraw/zinc/73/50/57/766735057.db2.gz UPTGYRQXBOURQR-HNNXBMFYSA-N 1 1 336.480 0.683 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)S(C)(=O)=O)CC2)C1 ZINC001046038603 766739196 /nfs/dbraw/zinc/73/91/96/766739196.db2.gz NBFNWSXQUOFHMZ-LSDHHAIUSA-N 1 1 343.493 0.214 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)S(C)(=O)=O)CC2)C1 ZINC001046038603 766739204 /nfs/dbraw/zinc/73/92/04/766739204.db2.gz NBFNWSXQUOFHMZ-LSDHHAIUSA-N 1 1 343.493 0.214 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OCC)n[nH]3)CC2)C1 ZINC001046039817 766743626 /nfs/dbraw/zinc/74/36/26/766743626.db2.gz YSMHQCVRNDZYOG-AWEZNQCLSA-N 1 1 331.420 0.274 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnn4c3CCC4)C2)C1=O ZINC001031717970 766748181 /nfs/dbraw/zinc/74/81/81/766748181.db2.gz QKWJVXWWRQUOQI-INIZCTEOSA-N 1 1 343.431 0.278 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001046043802 766763535 /nfs/dbraw/zinc/76/35/35/766763535.db2.gz DMXPJMCZLVJDJZ-CQSZACIVSA-N 1 1 344.415 0.234 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(COC)o3)CC2)C1 ZINC001046043798 766763675 /nfs/dbraw/zinc/76/36/75/766763675.db2.gz DJVASYLALUPKLS-OAHLLOKOSA-N 1 1 331.416 0.891 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC001046044644 766767725 /nfs/dbraw/zinc/76/77/25/766767725.db2.gz NNBIUSAEOPZAMC-KRWDZBQOSA-N 1 1 343.475 0.513 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC001046045332 766770373 /nfs/dbraw/zinc/77/03/73/766770373.db2.gz WMRGRHGIXNKDGA-MRXNPFEDSA-N 1 1 344.459 0.794 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106132837 766776037 /nfs/dbraw/zinc/77/60/37/766776037.db2.gz ASTSJISMJWAZSN-NHYWBVRUSA-N 1 1 328.376 0.444 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001046047490 766777729 /nfs/dbraw/zinc/77/77/29/766777729.db2.gz RBVMVCDIAXLAPY-RFSXOUPVSA-N 1 1 331.460 0.814 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC001046047192 766777980 /nfs/dbraw/zinc/77/79/80/766777980.db2.gz LYHOAUVNGAQMFL-OAHLLOKOSA-N 1 1 344.415 0.234 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046050322 766787362 /nfs/dbraw/zinc/78/73/62/766787362.db2.gz KKTSTAFMAHAZMZ-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@@H]12 ZINC000992531339 766794279 /nfs/dbraw/zinc/79/42/79/766794279.db2.gz VFTKGTIZESRGOH-CJNGLKHVSA-N 1 1 332.408 0.066 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](CC[C@H]4CCOC4)C3)C2)[nH]1 ZINC001053772954 766804781 /nfs/dbraw/zinc/80/47/81/766804781.db2.gz ACWJTIZIBUADCZ-DZGCQCFKSA-N 1 1 344.415 0.886 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046055610 766806399 /nfs/dbraw/zinc/80/63/99/766806399.db2.gz FXTJGRCSVKWWPC-VQIMIIECSA-N 1 1 348.491 0.697 20 30 ECEDMO CC[C@H](C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(C#N)c1)CO2)OC ZINC001053780318 766820723 /nfs/dbraw/zinc/82/07/23/766820723.db2.gz GYWYHHBDGIQBRR-HUUCEWRRSA-N 1 1 332.404 0.884 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(OC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000994790758 766833763 /nfs/dbraw/zinc/83/37/63/766833763.db2.gz BERPNSGCKLQJHP-XJKSGUPXSA-N 1 1 348.447 0.459 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN([C@@H]3CC[N@H+](CCF)C3)CC2)c1 ZINC001046062950 766836496 /nfs/dbraw/zinc/83/64/96/766836496.db2.gz XCTDVXAXYGMFKG-QGZVFWFLSA-N 1 1 330.407 0.865 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC001046063133 766837198 /nfs/dbraw/zinc/83/71/98/766837198.db2.gz YILJGWWWBCGMBO-MRXNPFEDSA-N 1 1 342.443 0.241 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cccc(C(N)=O)n3)CCC[C@H]12 ZINC000992550037 766840944 /nfs/dbraw/zinc/84/09/44/766840944.db2.gz PENRCSRKSKTJGX-MAUKXSAKSA-N 1 1 326.400 0.931 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC001046064374 766842764 /nfs/dbraw/zinc/84/27/64/766842764.db2.gz LYTCDVOQJZLKHU-KRWDZBQOSA-N 1 1 346.479 0.542 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992552648 766854954 /nfs/dbraw/zinc/85/49/54/766854954.db2.gz YFVLTRSKOHFCCK-HWWQOWPSSA-N 1 1 339.823 0.905 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992552648 766854961 /nfs/dbraw/zinc/85/49/61/766854961.db2.gz YFVLTRSKOHFCCK-HWWQOWPSSA-N 1 1 339.823 0.905 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ccnc3C(C)C)CC2)C1 ZINC001046066735 766854980 /nfs/dbraw/zinc/85/49/80/766854980.db2.gz PXWSSVLQXXWHJN-KRWDZBQOSA-N 1 1 343.475 0.858 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046069669 766870142 /nfs/dbraw/zinc/87/01/42/766870142.db2.gz JRAPZQLCWWLIOM-WMZOPIPTSA-N 1 1 343.475 0.830 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046069669 766870153 /nfs/dbraw/zinc/87/01/53/766870153.db2.gz JRAPZQLCWWLIOM-WMZOPIPTSA-N 1 1 343.475 0.830 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046069669 766870164 /nfs/dbraw/zinc/87/01/64/766870164.db2.gz JRAPZQLCWWLIOM-WMZOPIPTSA-N 1 1 343.475 0.830 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)nc(C)n3)CC2)C1 ZINC001046070561 766874057 /nfs/dbraw/zinc/87/40/57/766874057.db2.gz XEGGBGGOCJFAOF-QGZVFWFLSA-N 1 1 341.459 0.949 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(OC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000994821594 766885638 /nfs/dbraw/zinc/88/56/38/766885638.db2.gz HTYXMURHDRDJNS-CJNGLKHVSA-N 1 1 348.447 0.459 20 30 ECEDMO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2OC)cc1 ZINC001212268064 766891647 /nfs/dbraw/zinc/89/16/47/766891647.db2.gz OSXQVFNMBUSIHM-ZTFGCOKTSA-N 1 1 346.427 0.899 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](C[C@@H](C)O)C3)CC2)cn1 ZINC001046076123 766900689 /nfs/dbraw/zinc/90/06/89/766900689.db2.gz JEMWSCSPJBUDFQ-QAPCUYQASA-N 1 1 342.443 0.276 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H](C)N3CCCC3=O)CC2)C1 ZINC001046076264 766902142 /nfs/dbraw/zinc/90/21/42/766902142.db2.gz LGNYQAHKDPTARH-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c4c(nn3C)CCC4)CC2)C1 ZINC001046077506 766907347 /nfs/dbraw/zinc/90/73/47/766907347.db2.gz XKVHTQQIQMCBPH-OAHLLOKOSA-N 1 1 341.459 0.374 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnn(CC)c3)CC2)C1 ZINC001046077367 766907584 /nfs/dbraw/zinc/90/75/84/766907584.db2.gz NJEXPKSDUOLBST-KRWDZBQOSA-N 1 1 331.464 0.850 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC001046077337 766907898 /nfs/dbraw/zinc/90/78/98/766907898.db2.gz MSBCLPUIMNLBMF-CVEARBPZSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077337 766907903 /nfs/dbraw/zinc/90/79/03/766907903.db2.gz MSBCLPUIMNLBMF-CVEARBPZSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077337 766907909 /nfs/dbraw/zinc/90/79/09/766907909.db2.gz MSBCLPUIMNLBMF-CVEARBPZSA-N 1 1 343.475 0.919 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC001046082106 766920917 /nfs/dbraw/zinc/92/09/17/766920917.db2.gz NJSGPKJVBQKZKB-KRWDZBQOSA-N 1 1 342.443 0.090 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)C1 ZINC001046082081 766920993 /nfs/dbraw/zinc/92/09/93/766920993.db2.gz MVGLISGJBIRSQT-MRXNPFEDSA-N 1 1 331.464 0.974 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4nncn4C3)CC2)C1 ZINC001046084768 766925749 /nfs/dbraw/zinc/92/57/49/766925749.db2.gz BUUMDJMNEBNEGK-HOTGVXAUSA-N 1 1 344.463 0.245 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)c(=O)n3C)CC2)C1 ZINC001046086270 766928176 /nfs/dbraw/zinc/92/81/76/766928176.db2.gz UYYPAXORBGKQBR-OAHLLOKOSA-N 1 1 347.463 0.132 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC001046086050 766928256 /nfs/dbraw/zinc/92/82/56/766928256.db2.gz GKOQHMUDIZVVIW-FUHWJXTLSA-N 1 1 343.475 0.765 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)nc3)CC2)C1 ZINC001046089871 766932166 /nfs/dbraw/zinc/93/21/66/766932166.db2.gz KGPFDNTYBSIMRG-HNNXBMFYSA-N 1 1 343.431 0.199 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001046124511 766955020 /nfs/dbraw/zinc/95/50/20/766955020.db2.gz IGOLGEOCCHZXNK-GUYCJALGSA-N 1 1 345.403 0.163 20 30 ECEDMO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001089671203 766972854 /nfs/dbraw/zinc/97/28/54/766972854.db2.gz ZLVHFGNQTRKUKZ-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)CO2 ZINC001053865263 767069776 /nfs/dbraw/zinc/06/97/76/767069776.db2.gz UZQLILDCGRKFTA-ZIAGYGMSSA-N 1 1 336.436 0.313 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001046222513 767091447 /nfs/dbraw/zinc/09/14/47/767091447.db2.gz VRDJUBQBPYNCGX-KDOFPFPSSA-N 1 1 344.415 0.768 20 30 ECEDMO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001046225860 767096016 /nfs/dbraw/zinc/09/60/16/767096016.db2.gz GZWHZIHBCXBGGF-GUYCJALGSA-N 1 1 339.403 0.860 20 30 ECEDMO C#CCN1CC2(C1)C[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)CO2 ZINC001053873413 767097624 /nfs/dbraw/zinc/09/76/24/767097624.db2.gz YCURPSXKDICBIQ-CQSZACIVSA-N 1 1 328.416 0.355 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001089700456 767101002 /nfs/dbraw/zinc/10/10/02/767101002.db2.gz CHGKTGLYZFTCSY-LSDHHAIUSA-N 1 1 344.463 0.866 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253407 767110783 /nfs/dbraw/zinc/11/07/83/767110783.db2.gz XXMILUYAMFDVIZ-MAUKXSAKSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253407 767110784 /nfs/dbraw/zinc/11/07/84/767110784.db2.gz XXMILUYAMFDVIZ-MAUKXSAKSA-N 1 1 341.415 0.867 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2nc(C)ccc2C#N)CC[N@H+]1C ZINC001106141732 767111243 /nfs/dbraw/zinc/11/12/43/767111243.db2.gz HHNPRVBZSSRTPC-HRCADAONSA-N 1 1 345.447 0.881 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(OC)no3)C2)C1=O ZINC001046254077 767112012 /nfs/dbraw/zinc/11/20/12/767112012.db2.gz HZVHKONQKPAUNY-PXAZEXFGSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(OC)no3)C2)C1=O ZINC001046254077 767112014 /nfs/dbraw/zinc/11/20/14/767112014.db2.gz HZVHKONQKPAUNY-PXAZEXFGSA-N 1 1 348.403 0.664 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046289240 767129806 /nfs/dbraw/zinc/12/98/06/767129806.db2.gz SXRBDRRWJODEER-PBHICJAKSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046289240 767129808 /nfs/dbraw/zinc/12/98/08/767129808.db2.gz SXRBDRRWJODEER-PBHICJAKSA-N 1 1 346.362 0.886 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001089725108 767130691 /nfs/dbraw/zinc/13/06/91/767130691.db2.gz FZIRZCWTYYUEHN-LBPRGKRZSA-N 1 1 342.403 0.271 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(=O)[nH]n1 ZINC001089765337 767148005 /nfs/dbraw/zinc/14/80/05/767148005.db2.gz DADCNYSMVJZPAU-AYDFFVQHSA-N 1 1 326.400 0.988 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cnnn1 ZINC001089768838 767149732 /nfs/dbraw/zinc/14/97/32/767149732.db2.gz DCQWWDMRDPIUNT-JJXSEGSLSA-N 1 1 330.436 0.808 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cnco2)C1 ZINC000938937375 767153629 /nfs/dbraw/zinc/15/36/29/767153629.db2.gz IBVDYEGKGCXBPG-KBPBESRZSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cnco2)C1 ZINC000938937375 767153631 /nfs/dbraw/zinc/15/36/31/767153631.db2.gz IBVDYEGKGCXBPG-KBPBESRZSA-N 1 1 330.388 0.445 20 30 ECEDMO CN1CC[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001031777724 767188996 /nfs/dbraw/zinc/18/89/96/767188996.db2.gz LKEVVQVVZZOOMT-KRWDZBQOSA-N 1 1 340.427 0.975 20 30 ECEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001212321216 767214465 /nfs/dbraw/zinc/21/44/65/767214465.db2.gz WUJJBKIOJVCGNY-HZPDHXFCSA-N 1 1 326.437 0.579 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CN=NC1=O ZINC001089795392 767220221 /nfs/dbraw/zinc/22/02/21/767220221.db2.gz NGJCGZJUQDXFPU-XQLPTFJDSA-N 1 1 329.404 0.176 20 30 ECEDMO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C#CC2CC2)C1 ZINC001089805128 767233160 /nfs/dbraw/zinc/23/31/60/767233160.db2.gz BDTHZDRFGGIAEM-QAETUUGQSA-N 1 1 329.444 0.657 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CS(=O)(=O)C1 ZINC001089806101 767233985 /nfs/dbraw/zinc/23/39/85/767233985.db2.gz NEXALCQJKCXAFL-HNKHHVNMSA-N 1 1 338.473 0.776 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)nc1OC)CO2 ZINC001053890887 767244973 /nfs/dbraw/zinc/24/49/73/767244973.db2.gz LQMUMRASXSMHKR-CYBMUJFWSA-N 1 1 334.420 0.968 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn3nnnc3c1)CO2 ZINC001053891073 767248288 /nfs/dbraw/zinc/24/82/88/767248288.db2.gz PVWCUYOQMZKCKE-AWEZNQCLSA-N 1 1 342.403 0.664 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046525777 767279327 /nfs/dbraw/zinc/27/93/27/767279327.db2.gz RZCDNUJCZBCZPP-MRXNPFEDSA-N 1 1 325.453 0.620 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089820162 767312239 /nfs/dbraw/zinc/31/22/39/767312239.db2.gz LJINRPKUJOEBSP-HZMVEIRTSA-N 1 1 345.443 0.037 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001046577565 767322862 /nfs/dbraw/zinc/32/28/62/767322862.db2.gz UILPVSLXNNGPGI-VIRABCJISA-N 1 1 328.420 0.853 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908378 767329968 /nfs/dbraw/zinc/32/99/68/767329968.db2.gz RDTPMDGFAVXHQS-HZPDHXFCSA-N 1 1 342.443 0.737 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046588842 767340336 /nfs/dbraw/zinc/34/03/36/767340336.db2.gz RUPVLGSBSGRUAW-RHSMWYFYSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046588842 767340345 /nfs/dbraw/zinc/34/03/45/767340345.db2.gz RUPVLGSBSGRUAW-RHSMWYFYSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001046595252 767348458 /nfs/dbraw/zinc/34/84/58/767348458.db2.gz ZVYQZDABZOAHMV-GUYCJALGSA-N 1 1 347.419 0.107 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC001046605685 767356479 /nfs/dbraw/zinc/35/64/79/767356479.db2.gz WTLIBRLDODRILX-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)c1 ZINC001046605750 767356900 /nfs/dbraw/zinc/35/69/00/767356900.db2.gz XILSLDGTOHXJKF-KBXCAEBGSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)c1 ZINC001046605750 767356909 /nfs/dbraw/zinc/35/69/09/767356909.db2.gz XILSLDGTOHXJKF-KBXCAEBGSA-N 1 1 340.383 0.062 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001106146460 767367826 /nfs/dbraw/zinc/36/78/26/767367826.db2.gz AAFHPFADIVELCE-UONOGXRCSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CCN1CC2(C1)C[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)CO2 ZINC001053923902 767370206 /nfs/dbraw/zinc/37/02/06/767370206.db2.gz FUIWOXUITMIUCC-CQSZACIVSA-N 1 1 344.415 0.477 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924132 767371495 /nfs/dbraw/zinc/37/14/95/767371495.db2.gz LJYYPPORYAJEFZ-JKSUJKDBSA-N 1 1 342.443 0.737 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@H]2COC3(CN(CC#N)C3)C2)C1 ZINC001053925379 767378745 /nfs/dbraw/zinc/37/87/45/767378745.db2.gz JQHIURORAXQPLB-DYVFJYSZSA-N 1 1 338.427 0.682 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC001089830159 767384219 /nfs/dbraw/zinc/38/42/19/767384219.db2.gz AUKWYFMUQMVTOR-JJXSEGSLSA-N 1 1 332.448 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 ZINC001106155423 767393560 /nfs/dbraw/zinc/39/35/60/767393560.db2.gz YHWJRBFWZKKUTJ-CVEARBPZSA-N 1 1 341.415 0.248 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 ZINC001106155423 767393572 /nfs/dbraw/zinc/39/35/72/767393572.db2.gz YHWJRBFWZKKUTJ-CVEARBPZSA-N 1 1 341.415 0.248 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046628130 767394285 /nfs/dbraw/zinc/39/42/85/767394285.db2.gz KEHUOZJQUHKUIE-RVKKMQEKSA-N 1 1 326.400 0.760 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001078288893 782621066 /nfs/dbraw/zinc/62/10/66/782621066.db2.gz UWRKHKHANUAIEO-BBRMVZONSA-N 1 1 328.416 0.782 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001046631265 767402007 /nfs/dbraw/zinc/40/20/07/767402007.db2.gz CZARNLYBCBWTEA-VKJFTORMSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001046631265 767402011 /nfs/dbraw/zinc/40/20/11/767402011.db2.gz CZARNLYBCBWTEA-VKJFTORMSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(C)n1 ZINC001106153821 767403450 /nfs/dbraw/zinc/40/34/50/767403450.db2.gz AFMNHKWWIXSZQC-CABCVRRESA-N 1 1 331.420 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(C)n1 ZINC001106153821 767403455 /nfs/dbraw/zinc/40/34/55/767403455.db2.gz AFMNHKWWIXSZQC-CABCVRRESA-N 1 1 331.420 0.080 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001078292544 782627951 /nfs/dbraw/zinc/62/79/51/782627951.db2.gz NFEUOUMHPFIDSM-HZPDHXFCSA-N 1 1 329.400 0.464 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001078292544 782627958 /nfs/dbraw/zinc/62/79/58/782627958.db2.gz NFEUOUMHPFIDSM-HZPDHXFCSA-N 1 1 329.400 0.464 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 ZINC001046642539 767411161 /nfs/dbraw/zinc/41/11/61/767411161.db2.gz MLPZWBHERXPNDZ-LZWOXQAQSA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 ZINC001046642539 767411165 /nfs/dbraw/zinc/41/11/65/767411165.db2.gz MLPZWBHERXPNDZ-LZWOXQAQSA-N 1 1 338.415 0.753 20 30 ECEDMO Cc1cc(NC[C@H](O)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C#N)cn1 ZINC001106157742 767421714 /nfs/dbraw/zinc/42/17/14/767421714.db2.gz JPGIMURDVFMPQZ-CVEARBPZSA-N 1 1 345.447 0.447 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001106158244 767424442 /nfs/dbraw/zinc/42/44/42/767424442.db2.gz QVXZBQALLKCNFR-KGLIPLIRSA-N 1 1 332.408 0.112 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2COC3(C[NH+](CCC4CC4)C3)C2)nn1 ZINC001053949375 767432148 /nfs/dbraw/zinc/43/21/48/767432148.db2.gz FPAYJFNEWWEJOY-CQSZACIVSA-N 1 1 331.420 0.837 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(OCC)no3)C2)C1=O ZINC001031852995 767433872 /nfs/dbraw/zinc/43/38/72/767433872.db2.gz UOBSNCVUBBUVGX-CYBMUJFWSA-N 1 1 348.403 0.522 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1ncn(C)c1=O ZINC001089838652 767434893 /nfs/dbraw/zinc/43/48/93/767434893.db2.gz LVDWYBWYJZSCIF-FZKCQIBNSA-N 1 1 345.447 0.327 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001046670880 767448619 /nfs/dbraw/zinc/44/86/19/767448619.db2.gz ADRZIRNDGXEXQP-RHSMWYFYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046691447 767490567 /nfs/dbraw/zinc/49/05/67/767490567.db2.gz IVXLOGISHYATSV-ZBFHGGJFSA-N 1 1 349.475 0.642 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(CC3CC3)nn1)CO2 ZINC001053969726 767491790 /nfs/dbraw/zinc/49/17/90/767491790.db2.gz VVIVSGCADLZVGX-CQSZACIVSA-N 1 1 331.420 0.837 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1c(C)csc1=O)CO2 ZINC001054004868 767571976 /nfs/dbraw/zinc/57/19/76/767571976.db2.gz YTAXFVVZDQLMFC-CYBMUJFWSA-N 1 1 337.445 0.754 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046753326 767590512 /nfs/dbraw/zinc/59/05/12/767590512.db2.gz UXEIYHMCPKDAGX-KKUMJFAQSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046753326 767590515 /nfs/dbraw/zinc/59/05/15/767590515.db2.gz UXEIYHMCPKDAGX-KKUMJFAQSA-N 1 1 329.404 0.591 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001046753213 767591218 /nfs/dbraw/zinc/59/12/18/767591218.db2.gz SPYKQBSJJSLAAE-YRGRVCCFSA-N 1 1 349.460 0.961 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001046753213 767591225 /nfs/dbraw/zinc/59/12/25/767591225.db2.gz SPYKQBSJJSLAAE-YRGRVCCFSA-N 1 1 349.460 0.961 20 30 ECEDMO Cn1cc(C[N@H+](C)C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001017106464 767594711 /nfs/dbraw/zinc/59/47/11/767594711.db2.gz HVMBHTLBMPFIOF-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001017106464 767594718 /nfs/dbraw/zinc/59/47/18/767594718.db2.gz HVMBHTLBMPFIOF-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(N)=O)ccn1)CO2 ZINC001054026604 767629069 /nfs/dbraw/zinc/62/90/69/767629069.db2.gz CFTYIGOTPWYKPQ-ZDUSSCGKSA-N 1 1 330.388 0.330 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC#N)O1 ZINC001054043931 767642760 /nfs/dbraw/zinc/64/27/60/767642760.db2.gz OBNIEHQUPUGXGW-FHLIZLRMSA-N 1 1 342.443 0.772 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC#N)O1 ZINC001054043931 767642766 /nfs/dbraw/zinc/64/27/66/767642766.db2.gz OBNIEHQUPUGXGW-FHLIZLRMSA-N 1 1 342.443 0.772 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cn(C)cn3)C2)C1=O ZINC001007128745 767643570 /nfs/dbraw/zinc/64/35/70/767643570.db2.gz MITSGSPADQQCLX-HIFRSBDPSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(C)cn3)C2)C1=O ZINC001007128745 767643572 /nfs/dbraw/zinc/64/35/72/767643572.db2.gz MITSGSPADQQCLX-HIFRSBDPSA-N 1 1 331.420 0.401 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054048768 767647623 /nfs/dbraw/zinc/64/76/23/767647623.db2.gz IHNAUVGALMEQMU-IRXDYDNUSA-N 1 1 340.427 0.576 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054048768 767647626 /nfs/dbraw/zinc/64/76/26/767647626.db2.gz IHNAUVGALMEQMU-IRXDYDNUSA-N 1 1 340.427 0.576 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001054102637 767691463 /nfs/dbraw/zinc/69/14/63/767691463.db2.gz PXCKXLXWBSPSDE-WMLDXEAASA-N 1 1 333.436 0.486 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001054118557 767706495 /nfs/dbraw/zinc/70/64/95/767706495.db2.gz LHTWZGPNBIGTER-UGSOOPFHSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001054154310 767750617 /nfs/dbraw/zinc/75/06/17/767750617.db2.gz CIKWMOZAGFKIFZ-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)nc1 ZINC001017248397 767767877 /nfs/dbraw/zinc/76/78/77/767767877.db2.gz KWPHTSZUWIWSHP-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[C@]3(CCN(CC#N)C3)C2)C1 ZINC001054184915 767783403 /nfs/dbraw/zinc/78/34/03/767783403.db2.gz OKWYERCBZWRSFK-FUHWJXTLSA-N 1 1 334.464 0.934 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[C@]3(CCN(CC#N)C3)C2)C1 ZINC001054184915 767783408 /nfs/dbraw/zinc/78/34/08/767783408.db2.gz OKWYERCBZWRSFK-FUHWJXTLSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3n[nH]nc3C1)C2 ZINC001054225680 767832612 /nfs/dbraw/zinc/83/26/12/767832612.db2.gz AFXXDINFIPKSQV-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3[nH]nnc3C1)C2 ZINC001054225680 767832621 /nfs/dbraw/zinc/83/26/21/767832621.db2.gz AFXXDINFIPKSQV-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3[nH]nnc3C1)C2 ZINC001054225680 767832629 /nfs/dbraw/zinc/83/26/29/767832629.db2.gz AFXXDINFIPKSQV-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3nn[nH]c3C1)C2 ZINC001054225680 767832637 /nfs/dbraw/zinc/83/26/37/767832637.db2.gz AFXXDINFIPKSQV-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3nn[nH]c3C1)C2 ZINC001054225680 767832645 /nfs/dbraw/zinc/83/26/45/767832645.db2.gz AFXXDINFIPKSQV-KDOFPFPSSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCc3n[nH]nc3C1)C2 ZINC001054225682 767832938 /nfs/dbraw/zinc/83/29/38/767832938.db2.gz AFXXDINFIPKSQV-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCc3[nH]nnc3C1)C2 ZINC001054225682 767832946 /nfs/dbraw/zinc/83/29/46/767832946.db2.gz AFXXDINFIPKSQV-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCc3[nH]nnc3C1)C2 ZINC001054225682 767832957 /nfs/dbraw/zinc/83/29/57/767832957.db2.gz AFXXDINFIPKSQV-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCc3nn[nH]c3C1)C2 ZINC001054225682 767832963 /nfs/dbraw/zinc/83/29/63/767832963.db2.gz AFXXDINFIPKSQV-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCc3nn[nH]c3C1)C2 ZINC001054225682 767832971 /nfs/dbraw/zinc/83/29/71/767832971.db2.gz AFXXDINFIPKSQV-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C2 ZINC001054228397 767837921 /nfs/dbraw/zinc/83/79/21/767837921.db2.gz YVCCCLMNFWGQBD-QGZVFWFLSA-N 1 1 346.387 0.458 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)cn1 ZINC001054230312 767839418 /nfs/dbraw/zinc/83/94/18/767839418.db2.gz RBSUDCWYPRLRLS-KUHUBIRLSA-N 1 1 340.427 0.865 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)[C@@H](O)C1 ZINC001083731481 768416296 /nfs/dbraw/zinc/41/62/96/768416296.db2.gz AMGOAGWSTZGVIZ-UAGQMJEPSA-N 1 1 332.448 0.881 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106539024 768419208 /nfs/dbraw/zinc/41/92/08/768419208.db2.gz DELFVWNWNDAGAS-UKRRQHHQSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106539024 768419213 /nfs/dbraw/zinc/41/92/13/768419213.db2.gz DELFVWNWNDAGAS-UKRRQHHQSA-N 1 1 346.435 0.764 20 30 ECEDMO Cc1cc(NCC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001106641740 768544988 /nfs/dbraw/zinc/54/49/88/768544988.db2.gz DMYMFFSMZXBSPU-SUYBPPKGSA-N 1 1 345.447 0.709 20 30 ECEDMO Cc1cc(NCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001106641740 768544991 /nfs/dbraw/zinc/54/49/91/768544991.db2.gz DMYMFFSMZXBSPU-SUYBPPKGSA-N 1 1 345.447 0.709 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001017977778 768574578 /nfs/dbraw/zinc/57/45/78/768574578.db2.gz HOKNKBCENQTXPZ-SOUVJXGZSA-N 1 1 330.436 0.877 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C1 ZINC001042057016 782688680 /nfs/dbraw/zinc/68/86/80/782688680.db2.gz FAUHAVPSKAUISC-HZPDHXFCSA-N 1 1 330.432 0.348 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001042057015 782689785 /nfs/dbraw/zinc/68/97/85/782689785.db2.gz FAUHAVPSKAUISC-HOTGVXAUSA-N 1 1 330.432 0.348 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001055313473 768769644 /nfs/dbraw/zinc/76/96/44/768769644.db2.gz RUVCRLJSVWADHD-AFIMGQEJSA-N 1 1 335.448 0.182 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001055324713 768782869 /nfs/dbraw/zinc/78/28/69/768782869.db2.gz DJSOXNMEQGKOGB-CALCHBBNSA-N 1 1 347.459 0.285 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001055337469 768792898 /nfs/dbraw/zinc/79/28/98/768792898.db2.gz DKKNEQASSTXTMB-IYBDPMFKSA-N 1 1 347.459 0.427 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001055361669 768813974 /nfs/dbraw/zinc/81/39/74/768813974.db2.gz JTEPXEOMVZDHPW-CALCHBBNSA-N 1 1 349.475 0.982 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993343795 768814900 /nfs/dbraw/zinc/81/49/00/768814900.db2.gz CGGZSHKQUYUBNS-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001055372820 768826849 /nfs/dbraw/zinc/82/68/49/768826849.db2.gz HCALLGZBQSKAJH-OAGGEKHMSA-N 1 1 337.464 0.835 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055379520 768836996 /nfs/dbraw/zinc/83/69/96/768836996.db2.gz GBHJMAANVBOMPU-VQHPVUNQSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001018214780 768899748 /nfs/dbraw/zinc/89/97/48/768899748.db2.gz WMEVHACCDMBRCF-IJEWVQPXSA-N 1 1 341.477 0.710 20 30 ECEDMO CCN(CCNc1ncccc1C#N)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001106773216 768913929 /nfs/dbraw/zinc/91/39/29/768913929.db2.gz LVUKROOEJQCHPP-OAHLLOKOSA-N 1 1 331.420 0.934 20 30 ECEDMO CCN(CCNc1ncccc1C#N)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001106773216 768913933 /nfs/dbraw/zinc/91/39/33/768913933.db2.gz LVUKROOEJQCHPP-OAHLLOKOSA-N 1 1 331.420 0.934 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993388654 768940497 /nfs/dbraw/zinc/94/04/97/768940497.db2.gz CYTDPBFNCXAPMG-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001060579924 769049228 /nfs/dbraw/zinc/04/92/28/769049228.db2.gz KPJAMTBPPMWVKB-JXQTWKCFSA-N 1 1 328.420 0.704 20 30 ECEDMO CC1(C)C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001089354542 769055719 /nfs/dbraw/zinc/05/57/19/769055719.db2.gz ISHOSQVZHAHUHI-ZFWWWQNUSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055540140 769060710 /nfs/dbraw/zinc/06/07/10/769060710.db2.gz IXXZRCQQQMZCEJ-INIZCTEOSA-N 1 1 336.480 0.744 20 30 ECEDMO C=CCCC(=O)NCCN1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055540140 769060719 /nfs/dbraw/zinc/06/07/19/769060719.db2.gz IXXZRCQQQMZCEJ-INIZCTEOSA-N 1 1 336.480 0.744 20 30 ECEDMO Cc1ccnc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001055569078 769139305 /nfs/dbraw/zinc/13/93/05/769139305.db2.gz PBZDOZVYDOCWQN-GFCCVEGCSA-N 1 1 344.419 0.255 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2ccsn2)CC1 ZINC001055574198 769157603 /nfs/dbraw/zinc/15/76/03/769157603.db2.gz WCBDSBNIHRWVBF-UHFFFAOYSA-N 1 1 346.456 0.867 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001060593956 769183230 /nfs/dbraw/zinc/18/32/30/769183230.db2.gz MSQHWBQMFPDFMG-UHFFFAOYSA-N 1 1 339.403 0.815 20 30 ECEDMO C=CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC001018360376 769192272 /nfs/dbraw/zinc/19/22/72/769192272.db2.gz WMIFFXYTGXIHAF-HNNXBMFYSA-N 1 1 345.447 0.982 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H]1C ZINC000993527208 769227945 /nfs/dbraw/zinc/22/79/45/769227945.db2.gz ZMVNDNUGJFSIJR-STQMWFEESA-N 1 1 328.376 0.535 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cnco2)CC1 ZINC001055604285 769238915 /nfs/dbraw/zinc/23/89/15/769238915.db2.gz WXUGJTKZUHLDJI-CYBMUJFWSA-N 1 1 348.403 0.023 20 30 ECEDMO C=C1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000993571576 769269260 /nfs/dbraw/zinc/26/92/60/769269260.db2.gz TYXMGTYNKIGPIP-IAGOWNOFSA-N 1 1 347.459 0.923 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2cnns2)CC1 ZINC001055630300 769299931 /nfs/dbraw/zinc/29/99/31/769299931.db2.gz YXAVWFVKWFGYET-SNVBAGLBSA-N 1 1 336.421 0.008 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H]1C ZINC000993552572 769308759 /nfs/dbraw/zinc/30/87/59/769308759.db2.gz SQXJBURJIJIZGB-AAEUAGOBSA-N 1 1 328.372 0.628 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H]1C ZINC000993552572 769308772 /nfs/dbraw/zinc/30/87/72/769308772.db2.gz SQXJBURJIJIZGB-AAEUAGOBSA-N 1 1 328.372 0.628 20 30 ECEDMO C=CC(C)(C)C(=O)NC1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633420 769310489 /nfs/dbraw/zinc/31/04/89/769310489.db2.gz NJDLHRDHNFUHIN-UHFFFAOYSA-N 1 1 338.496 0.847 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000993569947 769337957 /nfs/dbraw/zinc/33/79/57/769337957.db2.gz OGMGXTARDXGMIV-LSDHHAIUSA-N 1 1 333.432 0.533 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H]1C ZINC000993603317 769348567 /nfs/dbraw/zinc/34/85/67/769348567.db2.gz MNJBSOXQIPYDJE-TZMCWYRMSA-N 1 1 326.404 0.969 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H]1C ZINC000993593909 769386078 /nfs/dbraw/zinc/38/60/78/769386078.db2.gz XWUIYKWNZQSEAZ-LSDHHAIUSA-N 1 1 346.431 0.496 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001078358335 782768098 /nfs/dbraw/zinc/76/80/98/782768098.db2.gz NWYGQLVIAVJXBS-CZUORRHYSA-N 1 1 346.435 0.555 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042103101 782771942 /nfs/dbraw/zinc/77/19/42/782771942.db2.gz AVMLUGZJEQSKCF-GFCCVEGCSA-N 1 1 343.855 0.549 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001078360642 782773741 /nfs/dbraw/zinc/77/37/41/782773741.db2.gz YVPCMCGEFWZMSM-OLZOCXBDSA-N 1 1 349.439 0.295 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)c3ncccc3O)C2)CC1 ZINC000993854964 769761494 /nfs/dbraw/zinc/76/14/94/769761494.db2.gz KKZKIMZESCTIOA-UHFFFAOYSA-N 1 1 342.399 0.073 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000993930979 769843823 /nfs/dbraw/zinc/84/38/23/769843823.db2.gz LDEPELXQPPXGOG-AWEZNQCLSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001055826071 769868569 /nfs/dbraw/zinc/86/85/69/769868569.db2.gz WLJPYNIROURTKT-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055826084 769870188 /nfs/dbraw/zinc/87/01/88/769870188.db2.gz WPHBUSLNWJSSKN-RKVPGOIHSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000993918328 769880185 /nfs/dbraw/zinc/88/01/85/769880185.db2.gz KLXFCLIBRMMDBP-VNHYZAJKSA-N 1 1 343.431 0.662 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001055832357 769895495 /nfs/dbraw/zinc/89/54/95/769895495.db2.gz KYSVQMGUCVSARY-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C[C@H](C[C@H](C)Nc1cnc(C#N)cn1)NC(=O)CC[NH+]1CCOCC1 ZINC001089356461 769956645 /nfs/dbraw/zinc/95/66/45/769956645.db2.gz XRTKZDFVZGNBSG-UONOGXRCSA-N 1 1 346.435 0.766 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)C[C@@H]21 ZINC001042116268 782798452 /nfs/dbraw/zinc/79/84/52/782798452.db2.gz AZJBLKYYZYJRCG-HIFRSBDPSA-N 1 1 339.399 0.908 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC000993993022 769974808 /nfs/dbraw/zinc/97/48/08/769974808.db2.gz YDQMOZUDSWNIGO-KGLIPLIRSA-N 1 1 334.424 0.334 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994028150 770042305 /nfs/dbraw/zinc/04/23/05/770042305.db2.gz DRWCMHNUJYQXDS-HZSPNIEDSA-N 1 1 343.431 0.662 20 30 ECEDMO C#CCCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055894448 770122558 /nfs/dbraw/zinc/12/25/58/770122558.db2.gz CNKRHEUYQLWVMX-QFBILLFUSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001055910068 770177854 /nfs/dbraw/zinc/17/78/54/770177854.db2.gz GQVBHDKMOBYEGP-SFHVURJKSA-N 1 1 346.431 0.465 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H]1C ZINC000994170768 770204200 /nfs/dbraw/zinc/20/42/00/770204200.db2.gz NUFBFRBICKCQGJ-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001018898128 770233863 /nfs/dbraw/zinc/23/38/63/770233863.db2.gz YTZPGWBAOOGGLF-CQSZACIVSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001018898128 770233868 /nfs/dbraw/zinc/23/38/68/770233868.db2.gz YTZPGWBAOOGGLF-CQSZACIVSA-N 1 1 335.448 0.590 20 30 ECEDMO N#Cc1cncc(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)n1 ZINC001055928583 770250337 /nfs/dbraw/zinc/25/03/37/770250337.db2.gz WHNGGJHZEZLPJI-CQSZACIVSA-N 1 1 337.387 0.771 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccon3)C2)c[nH]1 ZINC001078384017 782819919 /nfs/dbraw/zinc/81/99/19/782819919.db2.gz KBQCHTGPLAUCKO-HNNXBMFYSA-N 1 1 329.360 0.895 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001055933399 770271331 /nfs/dbraw/zinc/27/13/31/770271331.db2.gz OXKCZNGEOYMPLU-APWZRJJASA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C ZINC000994201408 770292653 /nfs/dbraw/zinc/29/26/53/770292653.db2.gz GABYVCKCZQCYFY-OIISXLGYSA-N 1 1 342.443 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C ZINC000994201408 770292655 /nfs/dbraw/zinc/29/26/55/770292655.db2.gz GABYVCKCZQCYFY-OIISXLGYSA-N 1 1 342.443 0.937 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@](CO)(NC(=O)C#CC3CC3)C2)C1 ZINC001055939194 770293308 /nfs/dbraw/zinc/29/33/08/770293308.db2.gz UBIMTRRBXFBFDG-APWZRJJASA-N 1 1 347.459 0.211 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001055952240 770338872 /nfs/dbraw/zinc/33/88/72/770338872.db2.gz FVUHBBIICAKJGA-KRWDZBQOSA-N 1 1 334.420 0.627 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001018955550 770377567 /nfs/dbraw/zinc/37/75/67/770377567.db2.gz NMZWOZKTSDSYPE-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)CC[N@H+]1C ZINC001055988972 770469225 /nfs/dbraw/zinc/46/92/25/770469225.db2.gz RTDCJTGDMZGBBC-KBPBESRZSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2ncccn2)C1 ZINC001018986133 770484935 /nfs/dbraw/zinc/48/49/35/770484935.db2.gz RWIZVRAXZCPZCQ-JYJNAYRXSA-N 1 1 327.432 0.826 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2ncccn2)C1 ZINC001018986133 770484949 /nfs/dbraw/zinc/48/49/49/770484949.db2.gz RWIZVRAXZCPZCQ-JYJNAYRXSA-N 1 1 327.432 0.826 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@H]21 ZINC001042142994 782843892 /nfs/dbraw/zinc/84/38/92/782843892.db2.gz SGJKYZFCWFSQOH-GDBMZVCRSA-N 1 1 346.431 0.612 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001056020068 770574489 /nfs/dbraw/zinc/57/44/89/770574489.db2.gz RYSCBIOZCKLHRJ-APWZRJJASA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H]1C ZINC000994295949 770589079 /nfs/dbraw/zinc/58/90/79/770589079.db2.gz OWCMCGQQBREFNV-DGCLKSJQSA-N 1 1 325.372 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H]1C ZINC000994295949 770589084 /nfs/dbraw/zinc/58/90/84/770589084.db2.gz OWCMCGQQBREFNV-DGCLKSJQSA-N 1 1 325.372 0.946 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001056032626 770620224 /nfs/dbraw/zinc/62/02/24/770620224.db2.gz ODZWVKPWUCLCFS-SFHVURJKSA-N 1 1 337.464 0.601 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC000994339275 770630338 /nfs/dbraw/zinc/63/03/38/770630338.db2.gz RAJLGRDRCZVPHC-STQMWFEESA-N 1 1 336.436 0.862 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@H]21 ZINC001042151935 782858064 /nfs/dbraw/zinc/85/80/64/782858064.db2.gz BNDOEIJREFWDPQ-UKRRQHHQSA-N 1 1 329.400 0.943 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCCS3(=O)=O)C[C@@H]21 ZINC001042152637 782858740 /nfs/dbraw/zinc/85/87/40/782858740.db2.gz OOWAEDQSLGUHGC-CABCVRRESA-N 1 1 341.477 0.521 20 30 ECEDMO N#Cc1cnccc1N1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001056052868 770686861 /nfs/dbraw/zinc/68/68/61/770686861.db2.gz VDYWVXBYYQPFRG-WBVHZDCISA-N 1 1 341.415 0.465 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046996689 770876690 /nfs/dbraw/zinc/87/66/90/770876690.db2.gz WWRGCBWEUYHTTA-GFCCVEGCSA-N 1 1 340.374 0.434 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCOC1)C2 ZINC001019143101 770914742 /nfs/dbraw/zinc/91/47/42/770914742.db2.gz HOMGGLIKEQMPGK-CVEARBPZSA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCOC1)C2 ZINC001019143101 770914754 /nfs/dbraw/zinc/91/47/54/770914754.db2.gz HOMGGLIKEQMPGK-CVEARBPZSA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)C#N)C2 ZINC001019143728 770916099 /nfs/dbraw/zinc/91/60/99/770916099.db2.gz SRQQYELLZHPSDY-GJZGRUSLSA-N 1 1 328.416 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)C#N)C2 ZINC001019143728 770916105 /nfs/dbraw/zinc/91/61/05/770916105.db2.gz SRQQYELLZHPSDY-GJZGRUSLSA-N 1 1 328.416 0.305 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@@H]21 ZINC001042163737 782878874 /nfs/dbraw/zinc/87/88/74/782878874.db2.gz ZBBSNZYNETXRQH-CVEARBPZSA-N 1 1 347.463 0.861 20 30 ECEDMO COc1ccc(C#N)cc1CN1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031383849 770988487 /nfs/dbraw/zinc/98/84/87/770988487.db2.gz OTBWNLNYEPBBBH-CQSZACIVSA-N 1 1 328.416 0.819 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC(C)(C)C1 ZINC001089390943 771025233 /nfs/dbraw/zinc/02/52/33/771025233.db2.gz JORRQTYJAHSPOS-CYBMUJFWSA-N 1 1 348.451 0.560 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001056233896 771026357 /nfs/dbraw/zinc/02/63/57/771026357.db2.gz AMWYNYDNHYTVED-OEUWWYETSA-N 1 1 340.431 0.773 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC(C)(C)C1 ZINC001089392724 771028050 /nfs/dbraw/zinc/02/80/50/771028050.db2.gz WWTSCWGGUDGBNC-ZDUSSCGKSA-N 1 1 346.435 0.007 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3ccc(F)cc3)C2)C1 ZINC001031419855 771040266 /nfs/dbraw/zinc/04/02/66/771040266.db2.gz IHNJUPXJZIWQAZ-GOSISDBHSA-N 1 1 345.418 0.698 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(CC#Cc3ccc(F)cc3)C2)C1 ZINC001031419855 771040270 /nfs/dbraw/zinc/04/02/70/771040270.db2.gz IHNJUPXJZIWQAZ-GOSISDBHSA-N 1 1 345.418 0.698 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H](C)C#N)C3)C1 ZINC001019316346 771145325 /nfs/dbraw/zinc/14/53/25/771145325.db2.gz LMUJHYJYWQWPFU-GJZGRUSLSA-N 1 1 348.447 0.316 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC001089432788 771157344 /nfs/dbraw/zinc/15/73/44/771157344.db2.gz DNMKWSWGCSEKJQ-KBPBESRZSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC001089432788 771157348 /nfs/dbraw/zinc/15/73/48/771157348.db2.gz DNMKWSWGCSEKJQ-KBPBESRZSA-N 1 1 326.462 0.661 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)c1 ZINC001019356760 771197212 /nfs/dbraw/zinc/19/72/12/771197212.db2.gz DWEAWOWAGJSEII-FZMZJTMJSA-N 1 1 325.376 0.152 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001019366913 771212199 /nfs/dbraw/zinc/21/21/99/771212199.db2.gz LVPUDJWRAWMKPU-KGLIPLIRSA-N 1 1 341.415 0.981 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001042184766 782905666 /nfs/dbraw/zinc/90/56/66/782905666.db2.gz ZGDNSBRZKYATAC-KGLIPLIRSA-N 1 1 348.447 0.673 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4C#N)C[C@H]32)C1 ZINC001056407637 771236730 /nfs/dbraw/zinc/23/67/30/771236730.db2.gz WPWWWICFXHTZLH-BCUIYNNISA-N 1 1 326.404 0.241 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001019390939 771240727 /nfs/dbraw/zinc/24/07/27/771240727.db2.gz HGHSUZIOZHODQQ-CRAIPNDOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001019390939 771240731 /nfs/dbraw/zinc/24/07/31/771240731.db2.gz HGHSUZIOZHODQQ-CRAIPNDOSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3(n4cnnn4)CCCCC3)C[C@@H]21 ZINC001042185799 782907097 /nfs/dbraw/zinc/90/70/97/782907097.db2.gz XRZQSHVZVNTMEU-HOTGVXAUSA-N 1 1 342.447 0.889 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001019405315 771259103 /nfs/dbraw/zinc/25/91/03/771259103.db2.gz BFUFVTUXLOPXLJ-UAGQMJEPSA-N 1 1 345.447 0.970 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)CC[N@H+]1C ZINC001056447683 771278962 /nfs/dbraw/zinc/27/89/62/771278962.db2.gz HJCVIJFGSZMIEG-DEQQHWRFSA-N 1 1 340.431 0.629 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001056450555 771280978 /nfs/dbraw/zinc/28/09/78/771280978.db2.gz ATTQVJMVCKNTBX-CLWVCHIJSA-N 1 1 340.431 0.773 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCOCCNc1nccnc1C#N ZINC001127473075 771301947 /nfs/dbraw/zinc/30/19/47/771301947.db2.gz ZKDSQXSJSKVMKZ-UONOGXRCSA-N 1 1 346.435 0.433 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001056472842 771311801 /nfs/dbraw/zinc/31/18/01/771311801.db2.gz WZBCXAAKCWALHT-HOTGVXAUSA-N 1 1 346.431 0.986 20 30 ECEDMO C=C(Br)CN1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031593856 771365109 /nfs/dbraw/zinc/36/51/09/771365109.db2.gz LETPELCCXIZRTQ-GFCCVEGCSA-N 1 1 332.242 0.274 20 30 ECEDMO C=C(Br)CN1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031593856 771365112 /nfs/dbraw/zinc/36/51/12/771365112.db2.gz LETPELCCXIZRTQ-GFCCVEGCSA-N 1 1 332.242 0.274 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC(C)(C)C1 ZINC001089502812 771366677 /nfs/dbraw/zinc/36/66/77/771366677.db2.gz SIDBDBQRIXUXCZ-ZDUSSCGKSA-N 1 1 348.447 0.490 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001019500390 771368079 /nfs/dbraw/zinc/36/80/79/771368079.db2.gz UVSCQXDYMIQXGN-BPUTZDHNSA-N 1 1 333.436 0.970 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)CC(C)(C)C2)nn1 ZINC001089514692 771381982 /nfs/dbraw/zinc/38/19/82/771381982.db2.gz OTJGCHRPOGIOFV-CHWSQXEVSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC(C)(C)C1 ZINC001089514470 771382241 /nfs/dbraw/zinc/38/22/41/771382241.db2.gz NIJZTXIVEKETAF-YNAXMUEKSA-N 1 1 348.447 0.767 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089519650 771392699 /nfs/dbraw/zinc/39/26/99/771392699.db2.gz OCTLQHRVJRAQIX-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc3ncccn3n2)CC(C)(C)C1 ZINC001089524164 771398912 /nfs/dbraw/zinc/39/89/12/771398912.db2.gz MWMAZHQWKNQLLM-CYBMUJFWSA-N 1 1 326.404 0.978 20 30 ECEDMO CN(CCOCCNc1ccnc(C#N)n1)C(=O)CCc1cnc[nH]1 ZINC001127511466 771406731 /nfs/dbraw/zinc/40/67/31/771406731.db2.gz WQNSMVAOOTUVLE-UHFFFAOYSA-N 1 1 343.391 0.013 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056599243 771419314 /nfs/dbraw/zinc/41/93/14/771419314.db2.gz DAGSBQWWCHAFGD-HUUCEWRRSA-N 1 1 329.404 0.605 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056599243 771419317 /nfs/dbraw/zinc/41/93/17/771419317.db2.gz DAGSBQWWCHAFGD-HUUCEWRRSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC(C)(C)C1 ZINC001089551540 771464449 /nfs/dbraw/zinc/46/44/49/771464449.db2.gz IIJQYQUYNIXZMA-CYBMUJFWSA-N 1 1 348.447 0.557 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001056648122 771467384 /nfs/dbraw/zinc/46/73/84/771467384.db2.gz HMTDYHTWVNSMSX-UKRRQHHQSA-N 1 1 347.394 0.826 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001056648122 771467387 /nfs/dbraw/zinc/46/73/87/771467387.db2.gz HMTDYHTWVNSMSX-UKRRQHHQSA-N 1 1 347.394 0.826 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561156 771493943 /nfs/dbraw/zinc/49/39/43/771493943.db2.gz NLNLVHBJLRXGKC-ZIAGYGMSSA-N 1 1 341.477 0.308 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001056715251 771545690 /nfs/dbraw/zinc/54/56/90/771545690.db2.gz LXZDFGCUURTYPJ-HUUCEWRRSA-N 1 1 342.447 0.761 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3ccncc3C#N)C2)O1 ZINC001056812207 771675241 /nfs/dbraw/zinc/67/52/41/771675241.db2.gz OJIFMGLUTHKXJF-XNRPHZJLSA-N 1 1 329.404 0.107 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3ccncc3C#N)C2)O1 ZINC001056812207 771675242 /nfs/dbraw/zinc/67/52/42/771675242.db2.gz OJIFMGLUTHKXJF-XNRPHZJLSA-N 1 1 329.404 0.107 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)nn3)C2)C1 ZINC001056930341 771821674 /nfs/dbraw/zinc/82/16/74/771821674.db2.gz HRHFGHQZTBNYHA-HUUCEWRRSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)nn3)C2)C1 ZINC001056930341 771821677 /nfs/dbraw/zinc/82/16/77/771821677.db2.gz HRHFGHQZTBNYHA-HUUCEWRRSA-N 1 1 344.419 0.106 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 ZINC001056989368 771915437 /nfs/dbraw/zinc/91/54/37/771915437.db2.gz NKQDOHGMELWRRX-AWEZNQCLSA-N 1 1 325.376 0.591 20 30 ECEDMO CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001057006770 771937025 /nfs/dbraw/zinc/93/70/25/771937025.db2.gz YWLSSMQEDXQHOO-HIFRSBDPSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3ccnc(C#N)n3)C2)C1 ZINC001057030260 771968018 /nfs/dbraw/zinc/96/80/18/771968018.db2.gz YZMGRHXJCBXZOQ-ZIAGYGMSSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2cc(C)ncn2)C1 ZINC001057060589 772015105 /nfs/dbraw/zinc/01/51/05/772015105.db2.gz MISRYNACWQCLEQ-CVEARBPZSA-N 1 1 327.432 0.920 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2cc(C)ncn2)C1 ZINC001057060589 772015110 /nfs/dbraw/zinc/01/51/10/772015110.db2.gz MISRYNACWQCLEQ-CVEARBPZSA-N 1 1 327.432 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(C)(F)F)[C@H]1C ZINC001019997996 772061390 /nfs/dbraw/zinc/06/13/90/772061390.db2.gz MQNJYVNBHRAMSE-AVGNSLFASA-N 1 1 327.375 0.845 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(C)(F)F)[C@H]1C ZINC001019997996 772061396 /nfs/dbraw/zinc/06/13/96/772061396.db2.gz MQNJYVNBHRAMSE-AVGNSLFASA-N 1 1 327.375 0.845 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C3CC3)C2)c[nH]1 ZINC001020088188 772144145 /nfs/dbraw/zinc/14/41/45/772144145.db2.gz DAGOJHHRGTYDAW-XYPYZODXSA-N 1 1 326.364 0.258 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001020123570 772185604 /nfs/dbraw/zinc/18/56/04/772185604.db2.gz BQVHMZMPACSTHJ-WHOFXGATSA-N 1 1 329.404 0.700 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057235026 772320270 /nfs/dbraw/zinc/32/02/70/772320270.db2.gz YSLRHQMLVPNBKY-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC1CC1 ZINC001057236269 772321525 /nfs/dbraw/zinc/32/15/25/772321525.db2.gz IHILNWYVZRWEGJ-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC1CC1 ZINC001057236269 772321531 /nfs/dbraw/zinc/32/15/31/772321531.db2.gz IHILNWYVZRWEGJ-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001020250446 772350084 /nfs/dbraw/zinc/35/00/84/772350084.db2.gz FWTNSGNCODUHHT-KKUMJFAQSA-N 1 1 345.451 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2noc(CC)n2)C1 ZINC001020250938 772351699 /nfs/dbraw/zinc/35/16/99/772351699.db2.gz XJJGGAZPFNULJV-IHRRRGAJSA-N 1 1 331.420 0.466 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2noc(CC)n2)C1 ZINC001020250938 772351701 /nfs/dbraw/zinc/35/17/01/772351701.db2.gz XJJGGAZPFNULJV-IHRRRGAJSA-N 1 1 331.420 0.466 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001057390116 772558417 /nfs/dbraw/zinc/55/84/17/772558417.db2.gz OZSOHALAXAUQRH-INIZCTEOSA-N 1 1 337.464 0.459 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057390744 772559457 /nfs/dbraw/zinc/55/94/57/772559457.db2.gz ODOIKPOCKBMKLQ-HZPDHXFCSA-N 1 1 337.464 0.457 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057539015 772734236 /nfs/dbraw/zinc/73/42/36/772734236.db2.gz KUONETAVHGNLGY-QGZVFWFLSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001057694873 772919115 /nfs/dbraw/zinc/91/91/15/772919115.db2.gz RADXYPPTKYWUMR-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001057848639 773068970 /nfs/dbraw/zinc/06/89/70/773068970.db2.gz WIAHRMNTXYNJCC-HNNXBMFYSA-N 1 1 328.420 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C(C)=C/CC ZINC001057961011 773290041 /nfs/dbraw/zinc/29/00/41/773290041.db2.gz FUPHPZBYJSRDNH-NHKNYXOTSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C(C)=C/CC ZINC001057961011 773290044 /nfs/dbraw/zinc/29/00/44/773290044.db2.gz FUPHPZBYJSRDNH-NHKNYXOTSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1(C)C ZINC001057961152 773290684 /nfs/dbraw/zinc/29/06/84/773290684.db2.gz KQDYBYNIQXCBEY-GJZGRUSLSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC1(C)C ZINC001057961152 773290688 /nfs/dbraw/zinc/29/06/88/773290688.db2.gz KQDYBYNIQXCBEY-GJZGRUSLSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cccs1 ZINC001057961336 773291951 /nfs/dbraw/zinc/29/19/51/773291951.db2.gz SHHLQZSGDZDORM-AWEZNQCLSA-N 1 1 349.456 0.396 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cccs1 ZINC001057961336 773291957 /nfs/dbraw/zinc/29/19/57/773291957.db2.gz SHHLQZSGDZDORM-AWEZNQCLSA-N 1 1 349.456 0.396 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(c2nccnc2C#N)CC1 ZINC001058087288 773508490 /nfs/dbraw/zinc/50/84/90/773508490.db2.gz MPBLOMDVPGZVQY-ZFWWWQNUSA-N 1 1 342.447 0.973 20 30 ECEDMO C=CCCC1(C(=O)NCCN(CCO)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001058111181 773555096 /nfs/dbraw/zinc/55/50/96/773555096.db2.gz ONPFTWYDKPHODS-UHFFFAOYSA-N 1 1 348.447 0.875 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058113066 773559096 /nfs/dbraw/zinc/55/90/96/773559096.db2.gz UYKRUDUYURKDKE-ZFWWWQNUSA-N 1 1 336.436 0.587 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058134494 773604450 /nfs/dbraw/zinc/60/44/50/773604450.db2.gz GMNOZRFWWIMXKS-ZBFHGGJFSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058134494 773604452 /nfs/dbraw/zinc/60/44/52/773604452.db2.gz GMNOZRFWWIMXKS-ZBFHGGJFSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058134537 773604469 /nfs/dbraw/zinc/60/44/69/773604469.db2.gz HNIUHVBPZCTFLO-HUUCEWRRSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058134537 773604470 /nfs/dbraw/zinc/60/44/70/773604470.db2.gz HNIUHVBPZCTFLO-HUUCEWRRSA-N 1 1 329.404 0.369 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001058157683 773657791 /nfs/dbraw/zinc/65/77/91/773657791.db2.gz FISSDABVPKSBFD-HNNXBMFYSA-N 1 1 337.464 0.622 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001058265578 773880046 /nfs/dbraw/zinc/88/00/46/773880046.db2.gz MDNPTBUQLLONAY-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058303883 773938294 /nfs/dbraw/zinc/93/82/94/773938294.db2.gz NGPGCUXOIHYTCW-AWEZNQCLSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001058304213 773938958 /nfs/dbraw/zinc/93/89/58/773938958.db2.gz YKFGOCZXDQSLCS-UHFFFAOYSA-N 1 1 339.480 0.868 20 30 ECEDMO Cc1nc(N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001058316819 773960888 /nfs/dbraw/zinc/96/08/88/773960888.db2.gz IQVNTQSCFSTMKS-GJZGRUSLSA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1nc(N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001058316819 773960891 /nfs/dbraw/zinc/96/08/91/773960891.db2.gz IQVNTQSCFSTMKS-GJZGRUSLSA-N 1 1 329.404 0.287 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040637427 783151234 /nfs/dbraw/zinc/15/12/34/783151234.db2.gz YFIUVKHKQUZYGI-KBXCAEBGSA-N 1 1 348.447 0.873 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001058437450 774178489 /nfs/dbraw/zinc/17/84/89/774178489.db2.gz DPXGYMQLVDCOFV-GJZGRUSLSA-N 1 1 339.480 0.866 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001058468144 774243044 /nfs/dbraw/zinc/24/30/44/774243044.db2.gz BKWXWEHPTUMIGK-OAHLLOKOSA-N 1 1 327.469 0.868 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)C[N@@H+](C)C(C)C ZINC001058469105 774246070 /nfs/dbraw/zinc/24/60/70/774246070.db2.gz YZTXKXFNKVZQTQ-OAHLLOKOSA-N 1 1 327.469 0.866 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058469116 774246116 /nfs/dbraw/zinc/24/61/16/774246116.db2.gz ZHWACSKZDOGILV-CABCVRRESA-N 1 1 325.453 0.478 20 30 ECEDMO N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001058469219 774246195 /nfs/dbraw/zinc/24/61/95/774246195.db2.gz BMZQCFHIIFDOKL-QWHCGFSZSA-N 1 1 337.387 0.817 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)no1 ZINC001058482535 774275958 /nfs/dbraw/zinc/27/59/58/774275958.db2.gz GODIVADTPVAKNT-NSHDSACASA-N 1 1 341.375 0.407 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058521070 774353176 /nfs/dbraw/zinc/35/31/76/774353176.db2.gz DRGZWLKAMDVUNU-HOTGVXAUSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058521070 774353182 /nfs/dbraw/zinc/35/31/82/774353182.db2.gz DRGZWLKAMDVUNU-HOTGVXAUSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058521645 774353559 /nfs/dbraw/zinc/35/35/59/774353559.db2.gz QJHLETGVOYVDHJ-DOTOQJQBSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058521645 774353564 /nfs/dbraw/zinc/35/35/64/774353564.db2.gz QJHLETGVOYVDHJ-DOTOQJQBSA-N 1 1 343.431 0.757 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001058546703 774408240 /nfs/dbraw/zinc/40/82/40/774408240.db2.gz LDDOPGIKUASGLP-GXTWGEPZSA-N 1 1 328.420 0.693 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001058590312 774492231 /nfs/dbraw/zinc/49/22/31/774492231.db2.gz ZJMGYOGQAWKZBX-HOTGVXAUSA-N 1 1 327.432 0.886 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001044960721 774769959 /nfs/dbraw/zinc/76/99/59/774769959.db2.gz HGGHJKADZBRMFP-RYUDHWBXSA-N 1 1 341.375 0.767 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C#CC3CC3)C2)CC[N@H+]1C ZINC001039868088 783206102 /nfs/dbraw/zinc/20/61/02/783206102.db2.gz WNHPRJBVRJGVKW-FRQCXROJSA-N 1 1 347.459 0.210 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001044980179 774794314 /nfs/dbraw/zinc/79/43/14/774794314.db2.gz KUPBCRXSMIRSLZ-UONOGXRCSA-N 1 1 325.453 0.476 20 30 ECEDMO CCn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001045002318 774821041 /nfs/dbraw/zinc/82/10/41/774821041.db2.gz LRKJTZCSWOPXPE-AWEZNQCLSA-N 1 1 327.392 0.892 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1)c1nnnn1C ZINC001045005677 774828426 /nfs/dbraw/zinc/82/84/26/774828426.db2.gz RQDWZKGZBPISCY-GWCFXTLKSA-N 1 1 328.380 0.365 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001045073110 774935312 /nfs/dbraw/zinc/93/53/12/774935312.db2.gz ZHQPVVLXPMCGFB-HUUCEWRRSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)C2=NC(=O)N(C)C2)C1=O ZINC001045184390 775105952 /nfs/dbraw/zinc/10/59/52/775105952.db2.gz PAWZRFMBOMODCK-STQMWFEESA-N 1 1 347.419 0.107 20 30 ECEDMO CCc1nc(N2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cc(C)[nH+]1 ZINC001043880443 775195517 /nfs/dbraw/zinc/19/55/17/775195517.db2.gz MHRWZIOURXSUTH-KGLIPLIRSA-N 1 1 340.387 0.527 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nncn1C ZINC001045238410 775199584 /nfs/dbraw/zinc/19/95/84/775199584.db2.gz WMDYLULJBUTAGD-DZKIICNBSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043909532 775284402 /nfs/dbraw/zinc/28/44/02/775284402.db2.gz JXBASJHMBQAZFN-OCCSQVGLSA-N 1 1 334.420 0.339 20 30 ECEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001044030845 775549906 /nfs/dbraw/zinc/54/99/06/775549906.db2.gz RDEGZWLIFVZDPA-UHFFFAOYSA-N 1 1 334.424 0.288 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001045642575 775953449 /nfs/dbraw/zinc/95/34/49/775953449.db2.gz ITELVLJCHPDTRQ-NSHDSACASA-N 1 1 335.857 0.401 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044302004 776098843 /nfs/dbraw/zinc/09/88/43/776098843.db2.gz DNPOBPUOPMEPOR-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H](n2ccnn2)C1 ZINC001070042312 790429612 /nfs/dbraw/zinc/42/96/12/790429612.db2.gz GDAOATFPHHKOLJ-CABCVRRESA-N 1 1 340.387 0.822 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H](n2ccnn2)C1 ZINC001070042312 790429617 /nfs/dbraw/zinc/42/96/17/790429617.db2.gz GDAOATFPHHKOLJ-CABCVRRESA-N 1 1 340.387 0.822 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001044418209 776287823 /nfs/dbraw/zinc/28/78/23/776287823.db2.gz JYCLEDJKWNOZJK-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001068506411 790434978 /nfs/dbraw/zinc/43/49/78/790434978.db2.gz MNCJJPNPBAQZIW-MGPQQGTHSA-N 1 1 328.420 0.997 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)CC[N@H+]1C ZINC001044452147 776313943 /nfs/dbraw/zinc/31/39/43/776313943.db2.gz DRONPANQUSUEHE-UGQVUOCMSA-N 1 1 343.431 0.349 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)C1 ZINC001044506054 776370523 /nfs/dbraw/zinc/37/05/23/776370523.db2.gz YCJKFFQUVNDUBW-ZBFHGGJFSA-N 1 1 343.431 0.351 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)C[C@@H]1O ZINC001044560202 776440224 /nfs/dbraw/zinc/44/02/24/776440224.db2.gz RYIMORNSLQGYGW-KBXIAJHMSA-N 1 1 346.431 0.604 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)CC[N@H+]1C ZINC001044666555 776607313 /nfs/dbraw/zinc/60/73/13/776607313.db2.gz MLJHGDNLVRGFPS-HZMVEIRTSA-N 1 1 343.431 0.349 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001079770811 776834955 /nfs/dbraw/zinc/83/49/55/776834955.db2.gz MXQZMRCINYAMHS-MRXNPFEDSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079772044 776837758 /nfs/dbraw/zinc/83/77/58/776837758.db2.gz DEZKKQCWTSGADG-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001079776555 776851782 /nfs/dbraw/zinc/85/17/82/776851782.db2.gz JHJDLBYSHMHQPU-HUUCEWRRSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079776877 776852830 /nfs/dbraw/zinc/85/28/30/776852830.db2.gz NXCYTKGLZFHXCA-IJEWVQPXSA-N 1 1 335.448 0.424 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079804083 776902512 /nfs/dbraw/zinc/90/25/12/776902512.db2.gz SKWBAHDFVDQKGO-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070068038 790496887 /nfs/dbraw/zinc/49/68/87/790496887.db2.gz CHJMRBAXIAYILH-KGLIPLIRSA-N 1 1 327.392 0.720 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070068038 790496892 /nfs/dbraw/zinc/49/68/92/790496892.db2.gz CHJMRBAXIAYILH-KGLIPLIRSA-N 1 1 327.392 0.720 20 30 ECEDMO CCN(C(=O)[C@@H](Cn1cccn1)[NH+](C)C)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001079943673 777121279 /nfs/dbraw/zinc/12/12/79/777121279.db2.gz KRHSFHFQQLSMDT-UKRRQHHQSA-N 1 1 346.435 0.032 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001079978505 777183987 /nfs/dbraw/zinc/18/39/87/777183987.db2.gz QYPGBXHCGSSVNR-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COC(C)C)C1 ZINC001080009099 777220917 /nfs/dbraw/zinc/22/09/17/777220917.db2.gz QGUIGPWUMLMXHQ-INIZCTEOSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COC(C)C)C1 ZINC001080009099 777220924 /nfs/dbraw/zinc/22/09/24/777220924.db2.gz QGUIGPWUMLMXHQ-INIZCTEOSA-N 1 1 335.448 0.568 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001080036154 777281578 /nfs/dbraw/zinc/28/15/78/777281578.db2.gz MIBPROCPQLYULQ-VXGBXAGGSA-N 1 1 341.433 0.943 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn(CC)cn2)[C@@H](n2ccnn2)C1 ZINC001070080800 790536153 /nfs/dbraw/zinc/53/61/53/790536153.db2.gz ZHKIXKMXBQCKNP-HIFRSBDPSA-N 1 1 329.408 0.726 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC)cn2)[C@@H](n2ccnn2)C1 ZINC001070080800 790536163 /nfs/dbraw/zinc/53/61/63/790536163.db2.gz ZHKIXKMXBQCKNP-HIFRSBDPSA-N 1 1 329.408 0.726 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001080190633 777524992 /nfs/dbraw/zinc/52/49/92/777524992.db2.gz ZBVNSWVHDZPPPF-OAHLLOKOSA-N 1 1 337.464 0.816 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001080195984 777536294 /nfs/dbraw/zinc/53/62/94/777536294.db2.gz BZTUTYDGISSWFQ-MGPQQGTHSA-N 1 1 331.407 0.965 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001080196416 777537455 /nfs/dbraw/zinc/53/74/55/777537455.db2.gz XJDHHNNQVNNOIA-NXHRZFHOSA-N 1 1 333.476 0.947 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001080290625 777651934 /nfs/dbraw/zinc/65/19/34/777651934.db2.gz KVMGGGIKJDKKFK-KBRIMQKVSA-N 1 1 340.427 0.973 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001080290625 777651942 /nfs/dbraw/zinc/65/19/42/777651942.db2.gz KVMGGGIKJDKKFK-KBRIMQKVSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001080325433 777687813 /nfs/dbraw/zinc/68/78/13/777687813.db2.gz CUWGVNAXKRZAHF-XHSDSOJGSA-N 1 1 349.475 0.814 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080361072 777750307 /nfs/dbraw/zinc/75/03/07/777750307.db2.gz RTTOYLBIERLIJX-FVQBIDKESA-N 1 1 326.400 0.156 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080361072 777750308 /nfs/dbraw/zinc/75/03/08/777750308.db2.gz RTTOYLBIERLIJX-FVQBIDKESA-N 1 1 326.400 0.156 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1 ZINC001070088974 790565990 /nfs/dbraw/zinc/56/59/90/790565990.db2.gz OUONPQWJHZAKPZ-KGLIPLIRSA-N 1 1 326.360 0.057 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001043202208 777946125 /nfs/dbraw/zinc/94/61/25/777946125.db2.gz BQSRHOYHMMOWJU-LBPRGKRZSA-N 1 1 343.855 0.549 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001080556683 778018533 /nfs/dbraw/zinc/01/85/33/778018533.db2.gz QSOQKGRQJNBCRI-RDTXWAMCSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001043235385 778025516 /nfs/dbraw/zinc/02/55/16/778025516.db2.gz OPOXGSFMRHZOAF-HOTGVXAUSA-N 1 1 347.459 0.496 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001043235549 778027374 /nfs/dbraw/zinc/02/73/74/778027374.db2.gz UJTZTCPMUDFXCQ-CABCVRRESA-N 1 1 349.475 0.905 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080559412 778033743 /nfs/dbraw/zinc/03/37/43/778033743.db2.gz FAQYXHDSYOJRHX-KBXCAEBGSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)CC[N@H+](C)CC)C2)CCC1 ZINC001043350289 778206204 /nfs/dbraw/zinc/20/62/04/778206204.db2.gz PWILGFYKQMDSTN-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3C)C2)CCC1 ZINC001043352709 778211059 /nfs/dbraw/zinc/21/10/59/778211059.db2.gz NLFLZHCPJCBDCD-UHFFFAOYSA-N 1 1 344.415 0.075 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)O2 ZINC001068575919 790615620 /nfs/dbraw/zinc/61/56/20/790615620.db2.gz XOTYXQLDSVRAJM-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070112089 790643636 /nfs/dbraw/zinc/64/36/36/790643636.db2.gz LZJARMJOJIPWEH-UHFFFAOYSA-N 1 1 344.415 0.387 20 30 ECEDMO C[N@@H+](CC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1)C1CCC1 ZINC001070112181 790644460 /nfs/dbraw/zinc/64/44/60/790644460.db2.gz OWTNJCWHXDMUOR-UHFFFAOYSA-N 1 1 347.459 0.666 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 ZINC001068588954 790645003 /nfs/dbraw/zinc/64/50/03/790645003.db2.gz PBHRTTWZVBOZPK-JURCDPSOSA-N 1 1 328.420 0.853 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001043680280 778712201 /nfs/dbraw/zinc/71/22/01/778712201.db2.gz PTDVXCMUAZNKSX-LSDHHAIUSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001043768406 778838701 /nfs/dbraw/zinc/83/87/01/778838701.db2.gz BUXTVHHUBAFHCF-MRXNPFEDSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070145864 790747339 /nfs/dbraw/zinc/74/73/39/790747339.db2.gz WSDCOMYAIOZLKT-MCIONIFRSA-N 1 1 339.827 0.941 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]21 ZINC001042311132 780048718 /nfs/dbraw/zinc/04/87/18/780048718.db2.gz GEQMUPJUFQGZPL-QWRGUYRKSA-N 1 1 332.360 0.066 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042319925 780068748 /nfs/dbraw/zinc/06/87/48/780068748.db2.gz LPSMGOYVUJKNRO-HOCLYGCPSA-N 1 1 329.400 0.622 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC)[C@H]2C1 ZINC001042327088 780076568 /nfs/dbraw/zinc/07/65/68/780076568.db2.gz UZNKOBLXDKLPPY-AEFFLSMTSA-N 1 1 339.439 0.879 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001042344715 780108497 /nfs/dbraw/zinc/10/84/97/780108497.db2.gz ADIJHJTULBQTOJ-VXGBXAGGSA-N 1 1 340.811 0.214 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001042344715 780108502 /nfs/dbraw/zinc/10/85/02/780108502.db2.gz ADIJHJTULBQTOJ-VXGBXAGGSA-N 1 1 340.811 0.214 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@@H]21 ZINC001042358728 780141660 /nfs/dbraw/zinc/14/16/60/780141660.db2.gz UBJLGYITIYUBIZ-GJZGRUSLSA-N 1 1 338.415 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001042361176 780143623 /nfs/dbraw/zinc/14/36/23/780143623.db2.gz AYXIZPMZVONFTI-RHSMWYFYSA-N 1 1 341.411 0.720 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)C[C@@H]21 ZINC001042367064 780154243 /nfs/dbraw/zinc/15/42/43/780154243.db2.gz ABWPXEPDHUVNIY-HIFRSBDPSA-N 1 1 346.435 0.089 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001042502307 780359416 /nfs/dbraw/zinc/35/94/16/780359416.db2.gz KJOCETFYNOYJOO-XJKCOSOUSA-N 1 1 342.447 0.939 20 30 ECEDMO Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)o1 ZINC001070159932 790787302 /nfs/dbraw/zinc/78/73/02/790787302.db2.gz WIRGEFUQIBEVNE-HONMWMINSA-N 1 1 343.391 0.584 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2ccc(C#N)cc2F)C1 ZINC001042572998 780464360 /nfs/dbraw/zinc/46/43/60/780464360.db2.gz CGGADDHOKWTECV-KRWDZBQOSA-N 1 1 346.406 0.671 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2ccc(C#N)cc2F)C1 ZINC001042572998 780464367 /nfs/dbraw/zinc/46/43/67/780464367.db2.gz CGGADDHOKWTECV-KRWDZBQOSA-N 1 1 346.406 0.671 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C ZINC001042620974 780541548 /nfs/dbraw/zinc/54/15/48/780541548.db2.gz BJPKTXJBCQGPQK-BMFZPTHFSA-N 1 1 338.415 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C ZINC001042620974 780541551 /nfs/dbraw/zinc/54/15/51/780541551.db2.gz BJPKTXJBCQGPQK-BMFZPTHFSA-N 1 1 338.415 0.387 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1CN(CC#N)C[C@H]1O ZINC001079129675 780789756 /nfs/dbraw/zinc/78/97/56/780789756.db2.gz ADGRZWAPYWSMIA-KZNAEPCWSA-N 1 1 342.443 0.678 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C(C)(F)F)C1 ZINC001079210146 780881936 /nfs/dbraw/zinc/88/19/36/780881936.db2.gz BDOPDTOYYNBRNX-ZDUSSCGKSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C(C)(F)F)C1 ZINC001079210146 780881940 /nfs/dbraw/zinc/88/19/40/780881940.db2.gz BDOPDTOYYNBRNX-ZDUSSCGKSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)CCc3cnc[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244756 780918310 /nfs/dbraw/zinc/91/83/10/780918310.db2.gz CWAVJSWKFSWWLN-DLBZAZTESA-N 1 1 342.443 0.915 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)c3[nH]nnc3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079254422 780927338 /nfs/dbraw/zinc/92/73/38/780927338.db2.gz CACGMKDRNSOMMU-LSDHHAIUSA-N 1 1 343.431 0.689 20 30 ECEDMO C=C(C)C[NH+]1CCC2(CN(C(=O)Cc3ncn[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079269044 780945351 /nfs/dbraw/zinc/94/53/51/780945351.db2.gz CIRMGYOGORIDMN-LSDHHAIUSA-N 1 1 345.447 0.863 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042861719 780955822 /nfs/dbraw/zinc/95/58/22/780955822.db2.gz RJZUJEHEKSOYTG-KBRIMQKVSA-N 1 1 343.431 0.615 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001079343389 781007131 /nfs/dbraw/zinc/00/71/31/781007131.db2.gz FRRZDQCSLHNCAS-GFCCVEGCSA-N 1 1 349.460 0.904 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2nnc(C)[nH]2)C1 ZINC001042961076 781104023 /nfs/dbraw/zinc/10/40/23/781104023.db2.gz XMNLBHNTEJONPY-DOMZBBRYSA-N 1 1 330.436 0.414 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCCN2CCCC2=O)C1 ZINC001042961990 781104891 /nfs/dbraw/zinc/10/48/91/781104891.db2.gz BOEXVPSLDIHDCF-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCCN2CCCC2=O)C1 ZINC001042961990 781104894 /nfs/dbraw/zinc/10/48/94/781104894.db2.gz BOEXVPSLDIHDCF-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2nnc(CC)o2)C1 ZINC001042962499 781105790 /nfs/dbraw/zinc/10/57/90/781105790.db2.gz IATJSSUEGDITLB-ZFWWWQNUSA-N 1 1 345.447 0.933 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2nnc(CC)o2)C1 ZINC001042962499 781105792 /nfs/dbraw/zinc/10/57/92/781105792.db2.gz IATJSSUEGDITLB-ZFWWWQNUSA-N 1 1 345.447 0.933 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2nc(CC)no2)C1 ZINC001042963998 781107907 /nfs/dbraw/zinc/10/79/07/781107907.db2.gz YEHFKQOMPMLSKB-ZFWWWQNUSA-N 1 1 345.447 0.933 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2nc(CC)no2)C1 ZINC001042963998 781107914 /nfs/dbraw/zinc/10/79/14/781107914.db2.gz YEHFKQOMPMLSKB-ZFWWWQNUSA-N 1 1 345.447 0.933 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001079441830 781122860 /nfs/dbraw/zinc/12/28/60/781122860.db2.gz LSXSNYGXJBAGOG-WQVCFCJDSA-N 1 1 345.447 0.809 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001079441830 781122863 /nfs/dbraw/zinc/12/28/63/781122863.db2.gz LSXSNYGXJBAGOG-WQVCFCJDSA-N 1 1 345.447 0.809 20 30 ECEDMO CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042977184 781127188 /nfs/dbraw/zinc/12/71/88/781127188.db2.gz GVYHWDJHZJOUSE-MGPQQGTHSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493402 781180569 /nfs/dbraw/zinc/18/05/69/781180569.db2.gz NTZLAOYSLYROIS-HFBAOOFYSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493402 781180573 /nfs/dbraw/zinc/18/05/73/781180573.db2.gz NTZLAOYSLYROIS-HFBAOOFYSA-N 1 1 344.390 0.912 20 30 ECEDMO CCN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079564223 781268347 /nfs/dbraw/zinc/26/83/47/781268347.db2.gz YPBFVHQPCSKBLE-UHFFFAOYSA-N 1 1 331.420 0.901 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079600979 781307618 /nfs/dbraw/zinc/30/76/18/781307618.db2.gz BSBCXTGQWANRCW-BYCMXARLSA-N 1 1 339.403 0.715 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)CC[N@H+]1C ZINC001041387523 781410318 /nfs/dbraw/zinc/41/03/18/781410318.db2.gz ILDATSMFMCIPGV-KLZNWCGWSA-N 1 1 343.431 0.349 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]2O)C1 ZINC001077645663 781417907 /nfs/dbraw/zinc/41/79/07/781417907.db2.gz RBAPHYYYROGRRA-BFHYXJOUSA-N 1 1 331.420 0.283 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001077661381 781450607 /nfs/dbraw/zinc/45/06/07/781450607.db2.gz QWARSLICQKTHCX-QZTJIDSGSA-N 1 1 325.412 0.861 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001077661381 781450614 /nfs/dbraw/zinc/45/06/14/781450614.db2.gz QWARSLICQKTHCX-QZTJIDSGSA-N 1 1 325.412 0.861 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077670882 781467823 /nfs/dbraw/zinc/46/78/23/781467823.db2.gz NSEHNSADVLTDNY-BPLDGKMQSA-N 1 1 338.839 0.668 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041420832 781471457 /nfs/dbraw/zinc/47/14/57/781471457.db2.gz FDHZFLJIKNIQJS-KBXCAEBGSA-N 1 1 343.431 0.494 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077694443 781531075 /nfs/dbraw/zinc/53/10/75/781531075.db2.gz SHINFTHLBHTLGX-TVFCKZIOSA-N 1 1 341.411 0.811 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077694443 781531082 /nfs/dbraw/zinc/53/10/82/781531082.db2.gz SHINFTHLBHTLGX-TVFCKZIOSA-N 1 1 341.411 0.811 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC001041450333 781541769 /nfs/dbraw/zinc/54/17/69/781541769.db2.gz CTXHIPSQCPATRO-SFHVURJKSA-N 1 1 331.416 0.473 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451546 781544390 /nfs/dbraw/zinc/54/43/90/781544390.db2.gz NCUGAFFWFYPCNC-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451546 781544397 /nfs/dbraw/zinc/54/43/97/781544397.db2.gz NCUGAFFWFYPCNC-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)COc3c(C)occc3=O)C2)C1 ZINC001041460660 781561428 /nfs/dbraw/zinc/56/14/28/781561428.db2.gz FYMOGXOSYKTNDQ-GOSISDBHSA-N 1 1 330.384 0.885 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnc4c(c3)nnn4C)C2)C1 ZINC001041475104 781588081 /nfs/dbraw/zinc/58/80/81/781588081.db2.gz HUUQFMWYWJWPOW-GOSISDBHSA-N 1 1 338.415 0.925 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNc3ccncc3C#N)C2)C1 ZINC001041507407 781657206 /nfs/dbraw/zinc/65/72/06/781657206.db2.gz ZWRKRQLSWNFSKB-GOEBONIOSA-N 1 1 343.431 0.356 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-n4cnnn4)cn3)C2)C1 ZINC001041507552 781657268 /nfs/dbraw/zinc/65/72/68/781657268.db2.gz YFDXZTAYGUWJGC-QGZVFWFLSA-N 1 1 337.387 0.229 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(N3CCCC3)n2)C1 ZINC001077783397 781687270 /nfs/dbraw/zinc/68/72/70/781687270.db2.gz DXTJACAIZQQXHQ-HUUCEWRRSA-N 1 1 331.420 0.428 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001077795120 781708203 /nfs/dbraw/zinc/70/82/03/781708203.db2.gz AURAQGFMGWVNQU-ARFHVFGLSA-N 1 1 328.412 0.910 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001077801430 781722074 /nfs/dbraw/zinc/72/20/74/781722074.db2.gz ROJOJJPNWIRLNE-RKDXNWHRSA-N 1 1 333.314 0.185 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1[nH]cnc1CC ZINC001077808106 781733146 /nfs/dbraw/zinc/73/31/46/781733146.db2.gz SDBSXIHXSBETNT-ZFWWWQNUSA-N 1 1 345.447 0.694 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1[nH]cnc1CC ZINC001077808106 781733150 /nfs/dbraw/zinc/73/31/50/781733150.db2.gz SDBSXIHXSBETNT-ZFWWWQNUSA-N 1 1 345.447 0.694 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O)nn1 ZINC001077812686 781740621 /nfs/dbraw/zinc/74/06/21/781740621.db2.gz MYEVAGCPWDGLPD-NVXWUHKLSA-N 1 1 341.415 0.829 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2O)nn1 ZINC001077812686 781740630 /nfs/dbraw/zinc/74/06/30/781740630.db2.gz MYEVAGCPWDGLPD-NVXWUHKLSA-N 1 1 341.415 0.829 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001077849839 781813518 /nfs/dbraw/zinc/81/35/18/781813518.db2.gz RBBZANNTAHMSRF-ZIAGYGMSSA-N 1 1 330.388 0.694 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C2)C1 ZINC001041603909 781834583 /nfs/dbraw/zinc/83/45/83/781834583.db2.gz ZCOFPNVMJQYFMD-KRWDZBQOSA-N 1 1 325.372 0.835 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001077876648 781854294 /nfs/dbraw/zinc/85/42/94/781854294.db2.gz HGVBYSDHFOWWAN-GVDBMIGSSA-N 1 1 343.427 0.989 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2ncccc2C#N)CCCO1 ZINC001039908395 783259316 /nfs/dbraw/zinc/25/93/16/783259316.db2.gz YOOJYDDSVSLGRX-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(c3ccc(C#N)cn3)CCCO2)C1 ZINC001039915175 783274787 /nfs/dbraw/zinc/27/47/87/783274787.db2.gz LORQQDQKSQXCPT-JKSUJKDBSA-N 1 1 343.431 0.616 20 30 ECEDMO COc1c[nH]c(C(=O)N2CCC3(C2)CC[NH+](CC#N)CC3)cc1=O ZINC001040772536 783409136 /nfs/dbraw/zinc/40/91/36/783409136.db2.gz DOFAEFVDHYZOAN-UHFFFAOYSA-N 1 1 330.388 0.835 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(N(C)c2cncc(C#N)n2)CC1 ZINC001068707596 790945495 /nfs/dbraw/zinc/94/54/95/790945495.db2.gz WSXIDCKPJPKQGO-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC(C)C)C1 ZINC001040097081 783533328 /nfs/dbraw/zinc/53/33/28/783533328.db2.gz VMJAZTGGPNGCAU-LPHOPBHVSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCC1(C(=O)N2CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C2)CCC1 ZINC001040098180 783535441 /nfs/dbraw/zinc/53/54/41/783535441.db2.gz ACMASXWLUOVCCT-IBGZPJMESA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@@H]1n1ccnn1 ZINC001070161075 783566851 /nfs/dbraw/zinc/56/68/51/783566851.db2.gz TXVMAUDBBKQALA-KGLIPLIRSA-N 1 1 349.826 0.728 20 30 ECEDMO C=CCCC(=O)NCC1(NC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001070168971 783584977 /nfs/dbraw/zinc/58/49/77/783584977.db2.gz CXICLYZLBVWCLX-UHFFFAOYSA-N 1 1 334.420 0.939 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070182403 783608215 /nfs/dbraw/zinc/60/82/15/783608215.db2.gz IXEPMPATEJCFSI-UHFFFAOYSA-N 1 1 335.448 0.523 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2nccn2CC)C[C@@H]1n1ccnn1 ZINC001070186704 783618785 /nfs/dbraw/zinc/61/87/85/783618785.db2.gz LHTZWUAZZHPPGE-OLZOCXBDSA-N 1 1 349.826 0.902 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070254172 783748874 /nfs/dbraw/zinc/74/88/74/783748874.db2.gz BWZIXOKTSLKEHZ-GOEBONIOSA-N 1 1 347.459 0.379 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1n1ccnn1 ZINC001070288115 783794043 /nfs/dbraw/zinc/79/40/43/783794043.db2.gz ANGGKZJEOPBXNR-BBWFWOEESA-N 1 1 344.463 0.517 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@@H]1n1ccnn1 ZINC001070303399 783806785 /nfs/dbraw/zinc/80/67/85/783806785.db2.gz VHXAQRMTUZYNKY-VNHYZAJKSA-N 1 1 339.827 0.799 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2cc(C#N)ccc2F)C1 ZINC001038135751 783901129 /nfs/dbraw/zinc/90/11/29/783901129.db2.gz JMYUFLUCOCMLNK-NVXWUHKLSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2cc(C#N)ccc2F)C1 ZINC001038135751 783901135 /nfs/dbraw/zinc/90/11/35/783901135.db2.gz JMYUFLUCOCMLNK-NVXWUHKLSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2cccc(C#N)c2)C1 ZINC001038138633 783906271 /nfs/dbraw/zinc/90/62/71/783906271.db2.gz XHVYMASHVHJMMU-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2cccc(C#N)c2)C1 ZINC001038138633 783906275 /nfs/dbraw/zinc/90/62/75/783906275.db2.gz XHVYMASHVHJMMU-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)c(F)c2)C1 ZINC001038138230 783907154 /nfs/dbraw/zinc/90/71/54/783907154.db2.gz UPESNXBFUGSBDV-DOTOQJQBSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)c(F)c2)C1 ZINC001038138230 783907159 /nfs/dbraw/zinc/90/71/59/783907159.db2.gz UPESNXBFUGSBDV-DOTOQJQBSA-N 1 1 346.406 0.718 20 30 ECEDMO C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ncn[nH]2)CC1 ZINC001070380413 783917590 /nfs/dbraw/zinc/91/75/90/783917590.db2.gz FEBDYKXSFVZFGK-HIFRSBDPSA-N 1 1 346.435 0.470 20 30 ECEDMO C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2nc[nH]n2)CC1 ZINC001070380413 783917593 /nfs/dbraw/zinc/91/75/93/783917593.db2.gz FEBDYKXSFVZFGK-HIFRSBDPSA-N 1 1 346.435 0.470 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001070385514 783928861 /nfs/dbraw/zinc/92/88/61/783928861.db2.gz YMBMIWCTNKKWMY-KBPBESRZSA-N 1 1 346.387 0.445 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cccnn2)C1 ZINC001070387426 783935098 /nfs/dbraw/zinc/93/50/98/783935098.db2.gz PGPBIOWWKGILPS-HNNXBMFYSA-N 1 1 337.383 0.888 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cccnn2)C1 ZINC001070387426 783935105 /nfs/dbraw/zinc/93/51/05/783935105.db2.gz PGPBIOWWKGILPS-HNNXBMFYSA-N 1 1 337.383 0.888 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCc2ccncc2O[C@H]2CCN(CC#N)C2)C1 ZINC001070388437 783937570 /nfs/dbraw/zinc/93/75/70/783937570.db2.gz HECKLDHAGSXPRL-HOTGVXAUSA-N 1 1 343.431 0.626 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H]2CCNC(=O)CC2)c[nH]1 ZINC001038173545 783949322 /nfs/dbraw/zinc/94/93/22/783949322.db2.gz AHHKECYZGRHUBZ-DOMZBBRYSA-N 1 1 329.404 0.607 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001070394367 783952225 /nfs/dbraw/zinc/95/22/25/783952225.db2.gz HIZZZDHWCWNBLL-HNNXBMFYSA-N 1 1 339.399 0.786 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2C)C1 ZINC001070397720 783962224 /nfs/dbraw/zinc/96/22/24/783962224.db2.gz IDJOYWBBBHNODV-ZDUSSCGKSA-N 1 1 326.404 0.804 20 30 ECEDMO COCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001070402513 783974908 /nfs/dbraw/zinc/97/49/08/783974908.db2.gz BJUOMGUZFCEFOK-ZDUSSCGKSA-N 1 1 342.403 0.975 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)cn2)C1 ZINC001070403619 783980612 /nfs/dbraw/zinc/98/06/12/783980612.db2.gz XRRHJDSCXRBLFG-CYBMUJFWSA-N 1 1 326.404 0.886 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001070404794 783982364 /nfs/dbraw/zinc/98/23/64/783982364.db2.gz OZFSTAJNVZZPLI-NEPJUHHUSA-N 1 1 342.403 0.710 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001070406132 783986464 /nfs/dbraw/zinc/98/64/64/783986464.db2.gz MLLFFUSWDNGPHN-AWEZNQCLSA-N 1 1 343.431 0.317 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2N)C1 ZINC001070406518 783986853 /nfs/dbraw/zinc/98/68/53/783986853.db2.gz XFZXHYTWVPNEPL-LLVKDONJSA-N 1 1 329.408 0.631 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccnc3ccnn32)C1 ZINC001070411222 784000112 /nfs/dbraw/zinc/00/01/12/784000112.db2.gz HKNTWNJBAGCZGQ-ZDUSSCGKSA-N 1 1 349.398 0.805 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001070411309 784000708 /nfs/dbraw/zinc/00/07/08/784000708.db2.gz KMPAOXXXBBVKQI-KBPBESRZSA-N 1 1 345.447 0.870 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001070412604 784004677 /nfs/dbraw/zinc/00/46/77/784004677.db2.gz FWKONQRTWFQULW-ZFWWWQNUSA-N 1 1 343.431 0.365 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001070414511 784014667 /nfs/dbraw/zinc/01/46/67/784014667.db2.gz OJBTUAYPYVIJKG-ZIAGYGMSSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC001070416076 784016858 /nfs/dbraw/zinc/01/68/58/784016858.db2.gz IQFUKXREFVSVSV-GFCCVEGCSA-N 1 1 349.398 0.985 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001070434048 784061636 /nfs/dbraw/zinc/06/16/36/784061636.db2.gz LDLZITFJUGPRPK-LSDHHAIUSA-N 1 1 343.431 0.317 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001038255357 784068929 /nfs/dbraw/zinc/06/89/29/784068929.db2.gz NKJAJTFDRKOYHW-ZIAGYGMSSA-N 1 1 331.420 0.919 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C1=COCCO1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070437077 784069984 /nfs/dbraw/zinc/06/99/84/784069984.db2.gz KVLBJDNOBYUHHA-CYBMUJFWSA-N 1 1 345.403 0.415 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442571 784085246 /nfs/dbraw/zinc/08/52/46/784085246.db2.gz JTLLYBUTQKLFCX-CABCVRRESA-N 1 1 342.447 0.068 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070911474 784102007 /nfs/dbraw/zinc/10/20/07/784102007.db2.gz AWOFNTRUXIOKBY-MJBXVCDLSA-N 1 1 345.403 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](C)OCC=C)C1 ZINC001070921500 784118673 /nfs/dbraw/zinc/11/86/73/784118673.db2.gz AIZNMBCDVYDLIL-BBWFWOEESA-N 1 1 347.459 0.782 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](C)OCC=C)C1 ZINC001070921500 784118677 /nfs/dbraw/zinc/11/86/77/784118677.db2.gz AIZNMBCDVYDLIL-BBWFWOEESA-N 1 1 347.459 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](C)CCOC)C1 ZINC001070921983 784120027 /nfs/dbraw/zinc/12/00/27/784120027.db2.gz VSPYXPANSYYEGV-ZACQAIPSSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](C)CCOC)C1 ZINC001070921983 784120030 /nfs/dbraw/zinc/12/00/30/784120030.db2.gz VSPYXPANSYYEGV-ZACQAIPSSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001070921780 784120530 /nfs/dbraw/zinc/12/05/30/784120530.db2.gz NOKQANGWPSKBGN-SJORKVTESA-N 1 1 345.443 0.231 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001070921780 784120532 /nfs/dbraw/zinc/12/05/32/784120532.db2.gz NOKQANGWPSKBGN-SJORKVTESA-N 1 1 345.443 0.231 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)COCC2CC2)C1 ZINC001070464752 784140027 /nfs/dbraw/zinc/14/00/27/784140027.db2.gz IQANDLDRMLWYDD-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)COCC2CC2)C1 ZINC001070464752 784140030 /nfs/dbraw/zinc/14/00/30/784140030.db2.gz IQANDLDRMLWYDD-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)OCC)C1 ZINC001070467772 784144053 /nfs/dbraw/zinc/14/40/53/784144053.db2.gz DASQEWCTDASXSU-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)OCC)C1 ZINC001070467772 784144057 /nfs/dbraw/zinc/14/40/57/784144057.db2.gz DASQEWCTDASXSU-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)cn2)CC1 ZINC001070935149 784154558 /nfs/dbraw/zinc/15/45/58/784154558.db2.gz ZZZZEQVSBVYGTK-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)cn2)CC1 ZINC001070935149 784154563 /nfs/dbraw/zinc/15/45/63/784154563.db2.gz ZZZZEQVSBVYGTK-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001070529587 784234414 /nfs/dbraw/zinc/23/44/14/784234414.db2.gz WJZADMRZYVNYSD-DOTOQJQBSA-N 1 1 329.448 0.279 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2CC(OCC)C2)CC1 ZINC001070960904 784235491 /nfs/dbraw/zinc/23/54/91/784235491.db2.gz AWZWRQWRXIXBDD-UHFFFAOYSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C2CC(OCC)C2)CC1 ZINC001070960904 784235492 /nfs/dbraw/zinc/23/54/92/784235492.db2.gz AWZWRQWRXIXBDD-UHFFFAOYSA-N 1 1 335.448 0.475 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H](NCC#N)C2)C1 ZINC001070534708 784240161 /nfs/dbraw/zinc/24/01/61/784240161.db2.gz KAYMHNICZJBYFL-IJEWVQPXSA-N 1 1 330.436 0.169 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963253 784242038 /nfs/dbraw/zinc/24/20/38/784242038.db2.gz JHUCIMWINRCZHX-KRWDZBQOSA-N 1 1 348.491 0.555 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963254 784242374 /nfs/dbraw/zinc/24/23/74/784242374.db2.gz JHUCIMWINRCZHX-QGZVFWFLSA-N 1 1 348.491 0.555 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001070969477 784265746 /nfs/dbraw/zinc/26/57/46/784265746.db2.gz STVNKSDKHYXUTL-WMZOPIPTSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001070969477 784265751 /nfs/dbraw/zinc/26/57/51/784265751.db2.gz STVNKSDKHYXUTL-WMZOPIPTSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cncs2)CC1 ZINC001070971724 784276350 /nfs/dbraw/zinc/27/63/50/784276350.db2.gz OGMRCPYWLZIWIV-UHFFFAOYSA-N 1 1 336.461 0.912 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001070563721 784280705 /nfs/dbraw/zinc/28/07/05/784280705.db2.gz IFCZVGJPFRNZRV-DOTOQJQBSA-N 1 1 331.464 0.976 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2CC)CC1 ZINC001070972901 784282006 /nfs/dbraw/zinc/28/20/06/784282006.db2.gz RGQZYCASWNEMJT-UHFFFAOYSA-N 1 1 347.463 0.823 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2CC)CC1 ZINC001070972901 784282016 /nfs/dbraw/zinc/28/20/16/784282016.db2.gz RGQZYCASWNEMJT-UHFFFAOYSA-N 1 1 347.463 0.823 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001070974978 784287098 /nfs/dbraw/zinc/28/70/98/784287098.db2.gz AJKJRLKWOIYMHA-MRXNPFEDSA-N 1 1 336.480 0.697 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#C)cc2)CC1 ZINC001070985734 784325897 /nfs/dbraw/zinc/32/58/97/784325897.db2.gz UPIACVGQLLIVMM-UHFFFAOYSA-N 1 1 337.423 0.955 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#C)cc2)CC1 ZINC001070985734 784325900 /nfs/dbraw/zinc/32/59/00/784325900.db2.gz UPIACVGQLLIVMM-UHFFFAOYSA-N 1 1 337.423 0.955 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2[nH]c(C)nc2C)CC1 ZINC001071000027 784370622 /nfs/dbraw/zinc/37/06/22/784370622.db2.gz KRXVTUJTUSRZCQ-UHFFFAOYSA-N 1 1 331.420 0.314 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2[nH]c(C)nc2C)CC1 ZINC001071000027 784370628 /nfs/dbraw/zinc/37/06/28/784370628.db2.gz KRXVTUJTUSRZCQ-UHFFFAOYSA-N 1 1 331.420 0.314 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001071007848 784392865 /nfs/dbraw/zinc/39/28/65/784392865.db2.gz YNJNUYZCVRUWGJ-OAHLLOKOSA-N 1 1 347.463 0.815 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(C(C)C)nn2)CC1 ZINC001071011638 784407074 /nfs/dbraw/zinc/40/70/74/784407074.db2.gz NBQXGWPTKNSOQH-UHFFFAOYSA-N 1 1 348.451 0.699 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C(C)C)nn2)CC1 ZINC001071011638 784407081 /nfs/dbraw/zinc/40/70/81/784407081.db2.gz NBQXGWPTKNSOQH-UHFFFAOYSA-N 1 1 348.451 0.699 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NC(=O)CSCC#N)C2)C1 ZINC001071013399 784412480 /nfs/dbraw/zinc/41/24/80/784412480.db2.gz BDCYDVITYAXZAR-ZIAGYGMSSA-N 1 1 338.477 0.692 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2ncc[nH]2)n1 ZINC001070599421 784413653 /nfs/dbraw/zinc/41/36/53/784413653.db2.gz ZVNNQOYZLZKQJG-KBPBESRZSA-N 1 1 342.403 0.510 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnns2)n1 ZINC001070601555 784418589 /nfs/dbraw/zinc/41/85/89/784418589.db2.gz NLAFGAJKMQWAIB-NWDGAFQWSA-N 1 1 346.416 0.709 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 ZINC001070605113 784425357 /nfs/dbraw/zinc/42/53/57/784425357.db2.gz BHARFNWRRAEWJN-QWHCGFSZSA-N 1 1 335.408 0.362 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2c(C)noc2C)CC1 ZINC001071020865 784441443 /nfs/dbraw/zinc/44/14/43/784441443.db2.gz YYYRUIKJBKVIOI-UHFFFAOYSA-N 1 1 346.431 0.508 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2c(C)noc2C)CC1 ZINC001071020865 784441447 /nfs/dbraw/zinc/44/14/47/784441447.db2.gz YYYRUIKJBKVIOI-UHFFFAOYSA-N 1 1 346.431 0.508 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001071023026 784448341 /nfs/dbraw/zinc/44/83/41/784448341.db2.gz MDCLMOGVEZBLQD-QGZVFWFLSA-N 1 1 348.491 0.535 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1)C1CCC1 ZINC001071062206 784500763 /nfs/dbraw/zinc/50/07/63/784500763.db2.gz PSNFSAPHLFFVQF-AEFFLSMTSA-N 1 1 334.464 0.980 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001071088004 784531034 /nfs/dbraw/zinc/53/10/34/784531034.db2.gz BIBIJXMZNCCCGS-WBVHZDCISA-N 1 1 331.420 0.356 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001071088004 784531042 /nfs/dbraw/zinc/53/10/42/784531042.db2.gz BIBIJXMZNCCCGS-WBVHZDCISA-N 1 1 331.420 0.356 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1c1cncn1C ZINC001070675656 784535561 /nfs/dbraw/zinc/53/55/61/784535561.db2.gz OAYBIKNNSFXKEE-CHWSQXEVSA-N 1 1 329.408 0.621 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)C[C@@H](C)O2 ZINC001071129317 784569844 /nfs/dbraw/zinc/56/98/44/784569844.db2.gz JBFZNCWOXROBQF-QAPCUYQASA-N 1 1 329.400 0.649 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001071148673 784605430 /nfs/dbraw/zinc/60/54/30/784605430.db2.gz XWMQWCGMVIKEKG-IAGOWNOFSA-N 1 1 349.475 0.862 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001071148673 784605435 /nfs/dbraw/zinc/60/54/35/784605435.db2.gz XWMQWCGMVIKEKG-IAGOWNOFSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C)c1C)C[C@H](C)O2 ZINC001071149680 784608171 /nfs/dbraw/zinc/60/81/71/784608171.db2.gz PLJIQYVEUIDARC-GUYCJALGSA-N 1 1 331.420 0.452 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@@H](C)O2 ZINC001071158845 784624121 /nfs/dbraw/zinc/62/41/21/784624121.db2.gz CCQKPHAURLYTOZ-CXAGYDPISA-N 1 1 333.436 0.884 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070757896 784658678 /nfs/dbraw/zinc/65/86/78/784658678.db2.gz GLTUEZPJCBAPNZ-OAHLLOKOSA-N 1 1 334.420 0.891 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1[nH]c(=O)[nH]c1C)C[C@H](C)O2 ZINC001071178067 784671772 /nfs/dbraw/zinc/67/17/72/784671772.db2.gz KHSKVQQRKKHMSK-SJCJKPOMSA-N 1 1 332.404 0.752 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)C[C@H](C)O2 ZINC001071180382 784678851 /nfs/dbraw/zinc/67/88/51/784678851.db2.gz LQLFUOUNMLATLO-SGTLLEGYSA-N 1 1 344.415 0.325 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@@H](C)O2 ZINC001071195405 784712207 /nfs/dbraw/zinc/71/22/07/784712207.db2.gz XNQWOBRMWGOVQG-PBHICJAKSA-N 1 1 333.436 0.718 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CCCO)C3)C2)c1 ZINC001071211154 784744485 /nfs/dbraw/zinc/74/44/85/784744485.db2.gz COQURKXELXCORS-KXBFYZLASA-N 1 1 343.427 0.751 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn[nH]n1)C[C@H](C)O2 ZINC001071211205 784745293 /nfs/dbraw/zinc/74/52/93/784745293.db2.gz DNTNOUILNLKZTI-WMLDXEAASA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@H](C)O2 ZINC001071211205 784745300 /nfs/dbraw/zinc/74/53/00/784745300.db2.gz DNTNOUILNLKZTI-WMLDXEAASA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@H](C)O2 ZINC001071211205 784745304 /nfs/dbraw/zinc/74/53/04/784745304.db2.gz DNTNOUILNLKZTI-WMLDXEAASA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@H](C)O2 ZINC001071211205 784745308 /nfs/dbraw/zinc/74/53/08/784745308.db2.gz DNTNOUILNLKZTI-WMLDXEAASA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@H](C)O2 ZINC001071211205 784745313 /nfs/dbraw/zinc/74/53/13/784745313.db2.gz DNTNOUILNLKZTI-WMLDXEAASA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn[nH]n1)C[C@H](C)O2 ZINC001071211206 784746325 /nfs/dbraw/zinc/74/63/25/784746325.db2.gz DNTNOUILNLKZTI-YOEHRIQHSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@H](C)O2 ZINC001071211206 784746329 /nfs/dbraw/zinc/74/63/29/784746329.db2.gz DNTNOUILNLKZTI-YOEHRIQHSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@H](C)O2 ZINC001071211206 784746333 /nfs/dbraw/zinc/74/63/33/784746333.db2.gz DNTNOUILNLKZTI-YOEHRIQHSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@H](C)O2 ZINC001071211206 784746340 /nfs/dbraw/zinc/74/63/40/784746340.db2.gz DNTNOUILNLKZTI-YOEHRIQHSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@H](C)O2 ZINC001071211206 784746347 /nfs/dbraw/zinc/74/63/47/784746347.db2.gz DNTNOUILNLKZTI-YOEHRIQHSA-N 1 1 331.420 0.452 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@H](C)O2 ZINC001071212573 784748873 /nfs/dbraw/zinc/74/88/73/784748873.db2.gz ZUKCBWDSPDHULZ-SCLBCKFNSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@@H](C)O2 ZINC001071218370 784762842 /nfs/dbraw/zinc/76/28/42/784762842.db2.gz MRLVJKGVGDKBDL-DYVFJYSZSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@@H](C)O2 ZINC001071218370 784762847 /nfs/dbraw/zinc/76/28/47/784762847.db2.gz MRLVJKGVGDKBDL-DYVFJYSZSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC)nn1)C[C@H](C)O2 ZINC001071224969 784779715 /nfs/dbraw/zinc/77/97/15/784779715.db2.gz DBCMUVNNHJFESI-WMLDXEAASA-N 1 1 331.420 0.627 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cncn1C)C[C@@H](C)O2 ZINC001071226169 784784000 /nfs/dbraw/zinc/78/40/00/784784000.db2.gz VMOAICNNPDFIGP-QAPCUYQASA-N 1 1 330.432 0.678 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@H](C)O2 ZINC001071238078 784807435 /nfs/dbraw/zinc/80/74/35/784807435.db2.gz IOZYNUSTTJQPLY-GUYCJALGSA-N 1 1 332.404 0.272 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3n[nH]nc3c1)C[C@@H](C)O2 ZINC001071240758 784813592 /nfs/dbraw/zinc/81/35/92/784813592.db2.gz KLXBRYCEONMGFQ-FZKQIMNGSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@H](C)O2 ZINC001071241076 784815363 /nfs/dbraw/zinc/81/53/63/784815363.db2.gz OQADCHNSOKEETM-YJBOKZPZSA-N 1 1 329.400 0.173 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn(C)c1)C[C@H](C)O2 ZINC001071243078 784819635 /nfs/dbraw/zinc/81/96/35/784819635.db2.gz APZQMVINXYVKJS-MAUKXSAKSA-N 1 1 330.432 0.678 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(C(N)=O)c1)C[C@H](C)O2 ZINC001071244557 784823240 /nfs/dbraw/zinc/82/32/40/784823240.db2.gz WTSCUOMMFZSMOF-UGSOOPFHSA-N 1 1 344.415 0.672 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C(=O)C1 ZINC001071258458 784862968 /nfs/dbraw/zinc/86/29/68/784862968.db2.gz HVRINFGNLHQADK-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)C(=O)C1 ZINC001071263648 784880985 /nfs/dbraw/zinc/88/09/85/784880985.db2.gz ARWWLDDMNUIAGX-NVXWUHKLSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)C(=O)C1 ZINC001071263648 784880996 /nfs/dbraw/zinc/88/09/96/784880996.db2.gz ARWWLDDMNUIAGX-NVXWUHKLSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C(=O)C1 ZINC001071267565 784892685 /nfs/dbraw/zinc/89/26/85/784892685.db2.gz LSEGYARDXIUKME-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCN1CCN([C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C(=O)C1 ZINC001071271948 784905303 /nfs/dbraw/zinc/90/53/03/784905303.db2.gz BKSXQCGACCIBKA-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001071343655 784983280 /nfs/dbraw/zinc/98/32/80/784983280.db2.gz BWAZVFAAQOZMRF-ZIAGYGMSSA-N 1 1 338.477 0.835 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc3c2nnn3C)CC[C@H]1C ZINC001071766464 785074213 /nfs/dbraw/zinc/07/42/13/785074213.db2.gz WCYUNIMQBJXQFQ-OLZOCXBDSA-N 1 1 326.404 0.969 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CCn1cncn1 ZINC001071438088 785087082 /nfs/dbraw/zinc/08/70/82/785087082.db2.gz LTERLTHXFSGBDJ-JSGCOSHPSA-N 1 1 327.392 0.761 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)CC[C@@H]1C ZINC001071541532 785274297 /nfs/dbraw/zinc/27/42/97/785274297.db2.gz ALSXIJPHKKKIFR-ZFWWWQNUSA-N 1 1 329.400 0.767 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001071921128 785337210 /nfs/dbraw/zinc/33/72/10/785337210.db2.gz BGRPXGXENQVXLC-IUODEOHRSA-N 1 1 331.420 0.803 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc3ccc(OC)nn32)CC[C@@H]1C ZINC001071618785 785404974 /nfs/dbraw/zinc/40/49/74/785404974.db2.gz DRVSAOVJPBYVPF-QWHCGFSZSA-N 1 1 327.388 0.954 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cnc3ccc(OC)nn32)CC[C@@H]1C ZINC001071618785 785404980 /nfs/dbraw/zinc/40/49/80/785404980.db2.gz DRVSAOVJPBYVPF-QWHCGFSZSA-N 1 1 327.388 0.954 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1C ZINC001071988784 785484585 /nfs/dbraw/zinc/48/45/85/785484585.db2.gz KXJQKVNZTHOBKW-CHWSQXEVSA-N 1 1 344.419 0.967 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@H]1C ZINC001071702048 785555973 /nfs/dbraw/zinc/55/59/73/785555973.db2.gz SGHSDFSOEAZQTQ-OLZOCXBDSA-N 1 1 325.376 0.273 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@H]1C ZINC001071702048 785555975 /nfs/dbraw/zinc/55/59/75/785555975.db2.gz SGHSDFSOEAZQTQ-OLZOCXBDSA-N 1 1 325.376 0.273 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@H]1C ZINC001071724732 785593540 /nfs/dbraw/zinc/59/35/40/785593540.db2.gz LJHHVUJCACUASP-DGCLKSJQSA-N 1 1 342.407 0.300 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001071746543 785629461 /nfs/dbraw/zinc/62/94/61/785629461.db2.gz YTKQBEIFEHUAFP-SWLSCSKDSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001071746543 785629467 /nfs/dbraw/zinc/62/94/67/785629467.db2.gz YTKQBEIFEHUAFP-SWLSCSKDSA-N 1 1 339.403 0.865 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001072093219 785656438 /nfs/dbraw/zinc/65/64/38/785656438.db2.gz DERKALHPTLHRQM-GDBMZVCRSA-N 1 1 335.448 0.474 20 30 ECEDMO C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072252472 785892916 /nfs/dbraw/zinc/89/29/16/785892916.db2.gz VJYDNHSFBWCJCB-YPMHNXCESA-N 1 1 342.407 0.298 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSCC#N)C[C@H]1C ZINC001074240056 786485829 /nfs/dbraw/zinc/48/58/29/786485829.db2.gz OFXYFTPQCJABOH-KGLIPLIRSA-N 1 1 340.493 0.938 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3ccoc3)C2)C1=O ZINC001073535191 786501474 /nfs/dbraw/zinc/50/14/74/786501474.db2.gz GGLWGTYGJVZBGP-JKSUJKDBSA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)c3ccoc3)C2)C1=O ZINC001073535191 786501477 /nfs/dbraw/zinc/50/14/77/786501477.db2.gz GGLWGTYGJVZBGP-JKSUJKDBSA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ncc(OC)cn3)C[C@H]21 ZINC001074293634 786612779 /nfs/dbraw/zinc/61/27/79/786612779.db2.gz ARZCJGLYOBOKDG-HUUCEWRRSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ncc(OC)cn3)C[C@H]21 ZINC001074293634 786612782 /nfs/dbraw/zinc/61/27/82/786612782.db2.gz ARZCJGLYOBOKDG-HUUCEWRRSA-N 1 1 332.404 0.977 20 30 ECEDMO Cn1nccc1C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073566762 786626929 /nfs/dbraw/zinc/62/69/29/786626929.db2.gz UJDLCEQODFSOLZ-HNNXBMFYSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1nccc1C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073566762 786626937 /nfs/dbraw/zinc/62/69/37/786626937.db2.gz UJDLCEQODFSOLZ-HNNXBMFYSA-N 1 1 342.403 0.641 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 ZINC001074302152 786632404 /nfs/dbraw/zinc/63/24/04/786632404.db2.gz MAJPZELJRGCRRV-HUUCEWRRSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 ZINC001074302152 786632408 /nfs/dbraw/zinc/63/24/08/786632408.db2.gz MAJPZELJRGCRRV-HUUCEWRRSA-N 1 1 332.404 0.272 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)[nH]1 ZINC001073573980 786653184 /nfs/dbraw/zinc/65/31/84/786653184.db2.gz GEAKPRFGMKFVPZ-ZFWWWQNUSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)c[nH]1 ZINC001073575635 786655124 /nfs/dbraw/zinc/65/51/24/786655124.db2.gz KQYZOVVPYRSJRY-CJNGLKHVSA-N 1 1 332.404 0.744 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(CCOC)nc2C)C1 ZINC001073600897 786744841 /nfs/dbraw/zinc/74/48/41/786744841.db2.gz AIAFITZJRUSGCA-OAHLLOKOSA-N 1 1 336.436 0.845 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001074357318 786746388 /nfs/dbraw/zinc/74/63/88/786746388.db2.gz YNLFDWDMYYYDKT-CABCVRRESA-N 1 1 349.431 0.307 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001074357318 786746393 /nfs/dbraw/zinc/74/63/93/786746393.db2.gz YNLFDWDMYYYDKT-CABCVRRESA-N 1 1 349.431 0.307 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3n[nH]nc32)C1 ZINC001073618149 786781513 /nfs/dbraw/zinc/78/15/13/786781513.db2.gz VTKJGVVMBHGYEZ-CYBMUJFWSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 ZINC001074384669 786819484 /nfs/dbraw/zinc/81/94/84/786819484.db2.gz KAZPDNSYORVUBH-JKSUJKDBSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 ZINC001074384669 786819493 /nfs/dbraw/zinc/81/94/93/786819493.db2.gz KAZPDNSYORVUBH-JKSUJKDBSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001073634434 786830483 /nfs/dbraw/zinc/83/04/83/786830483.db2.gz RTEPAZZHQLYABF-SNVBAGLBSA-N 1 1 330.310 0.882 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001073634434 786830494 /nfs/dbraw/zinc/83/04/94/786830494.db2.gz RTEPAZZHQLYABF-SNVBAGLBSA-N 1 1 330.310 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001073634818 786830573 /nfs/dbraw/zinc/83/05/73/786830573.db2.gz WTAXEFPVYQOCCJ-DOTOQJQBSA-N 1 1 342.443 0.812 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3ncccc23)C1 ZINC001073637331 786837944 /nfs/dbraw/zinc/83/79/44/786837944.db2.gz WMJDZEDOFAZUMR-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3ncccc23)C1 ZINC001073637331 786837956 /nfs/dbraw/zinc/83/79/56/786837956.db2.gz WMJDZEDOFAZUMR-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@H]21 ZINC001074393191 786838367 /nfs/dbraw/zinc/83/83/67/786838367.db2.gz WWFNPGDQKAHRBN-CABCVRRESA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@H]21 ZINC001074393191 786838377 /nfs/dbraw/zinc/83/83/77/786838377.db2.gz WWFNPGDQKAHRBN-CABCVRRESA-N 1 1 334.420 0.920 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2C(F)F)C1 ZINC001073637257 786838815 /nfs/dbraw/zinc/83/88/15/786838815.db2.gz UKIPMLWGIQHNSR-LLVKDONJSA-N 1 1 326.347 0.812 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2C(F)F)C1 ZINC001073637257 786838824 /nfs/dbraw/zinc/83/88/24/786838824.db2.gz UKIPMLWGIQHNSR-LLVKDONJSA-N 1 1 326.347 0.812 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 ZINC001074401149 786860006 /nfs/dbraw/zinc/86/00/06/786860006.db2.gz YZTNZWIWDJMITE-CABCVRRESA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 ZINC001074401149 786860017 /nfs/dbraw/zinc/86/00/17/786860017.db2.gz YZTNZWIWDJMITE-CABCVRRESA-N 1 1 332.404 0.272 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001073647557 786867313 /nfs/dbraw/zinc/86/73/13/786867313.db2.gz LAZVDKQLKATXPM-CYBMUJFWSA-N 1 1 329.356 0.987 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001073647557 786867326 /nfs/dbraw/zinc/86/73/26/786867326.db2.gz LAZVDKQLKATXPM-CYBMUJFWSA-N 1 1 329.356 0.987 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074404407 786873838 /nfs/dbraw/zinc/87/38/38/786873838.db2.gz BLWPICOLJISSPZ-HUUCEWRRSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074404407 786873848 /nfs/dbraw/zinc/87/38/48/786873848.db2.gz BLWPICOLJISSPZ-HUUCEWRRSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC001074408239 786888553 /nfs/dbraw/zinc/88/85/53/786888553.db2.gz SIBYGNUSMPKRCL-JKSUJKDBSA-N 1 1 331.416 0.726 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC001074408239 786888559 /nfs/dbraw/zinc/88/85/59/786888559.db2.gz SIBYGNUSMPKRCL-JKSUJKDBSA-N 1 1 331.416 0.726 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 ZINC001074415886 786914507 /nfs/dbraw/zinc/91/45/07/786914507.db2.gz YFGSQMTUQUNYPG-UKRRQHHQSA-N 1 1 334.420 0.215 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 ZINC001074415886 786914515 /nfs/dbraw/zinc/91/45/15/786914515.db2.gz YFGSQMTUQUNYPG-UKRRQHHQSA-N 1 1 334.420 0.215 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3cn[nH]n3)C2)cc1 ZINC001073674489 786939515 /nfs/dbraw/zinc/93/95/15/786939515.db2.gz DXOSAEHZDIVKHL-HNNXBMFYSA-N 1 1 340.387 0.697 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001073677460 786947650 /nfs/dbraw/zinc/94/76/50/786947650.db2.gz HPELPAUYVPOLBN-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001073677460 786947658 /nfs/dbraw/zinc/94/76/58/786947658.db2.gz HPELPAUYVPOLBN-NSHDSACASA-N 1 1 344.337 0.893 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073677238 786947712 /nfs/dbraw/zinc/94/77/12/786947712.db2.gz BDZXWECRZDWKMU-ZDUSSCGKSA-N 1 1 344.415 0.973 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001073686912 786969730 /nfs/dbraw/zinc/96/97/30/786969730.db2.gz DOKRXTZNNNJHKS-CQSZACIVSA-N 1 1 347.415 0.557 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001073687592 786971849 /nfs/dbraw/zinc/97/18/49/786971849.db2.gz WBKVBRSPGWYEKT-CQSZACIVSA-N 1 1 345.399 0.005 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001073687592 786971856 /nfs/dbraw/zinc/97/18/56/786971856.db2.gz WBKVBRSPGWYEKT-CQSZACIVSA-N 1 1 345.399 0.005 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001073712494 787024995 /nfs/dbraw/zinc/02/49/95/787024995.db2.gz CWLCVNIYFZREMJ-VVLHAWIVSA-N 1 1 338.448 0.821 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001073712713 787027966 /nfs/dbraw/zinc/02/79/66/787027966.db2.gz KEZDHJKLJRKGIY-CABCVRRESA-N 1 1 346.431 0.758 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001073713161 787029739 /nfs/dbraw/zinc/02/97/39/787029739.db2.gz UZNKCXUUMZECPT-AWEZNQCLSA-N 1 1 343.391 0.064 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)CCCO2)cc1 ZINC001073724495 787064355 /nfs/dbraw/zinc/06/43/55/787064355.db2.gz XIFWSQWTRRFMDM-SJORKVTESA-N 1 1 343.427 0.753 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)CCCO2)cc1 ZINC001073724495 787064364 /nfs/dbraw/zinc/06/43/64/787064364.db2.gz XIFWSQWTRRFMDM-SJORKVTESA-N 1 1 343.427 0.753 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001073744738 787107369 /nfs/dbraw/zinc/10/73/69/787107369.db2.gz PUGXGIMLBJWXBL-UONOGXRCSA-N 1 1 340.493 0.937 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001073749247 787125271 /nfs/dbraw/zinc/12/52/71/787125271.db2.gz UQRMCNHIMWUYLL-FUHWJXTLSA-N 1 1 344.459 0.984 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3cc(C)cnc23)C1 ZINC001073796050 787218015 /nfs/dbraw/zinc/21/80/15/787218015.db2.gz JAGZBZVDCAZAAZ-CQSZACIVSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3cc(C)cnc23)C1 ZINC001073796050 787218017 /nfs/dbraw/zinc/21/80/17/787218017.db2.gz JAGZBZVDCAZAAZ-CQSZACIVSA-N 1 1 327.388 0.492 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)O)CCCO2)nn1 ZINC001073812842 787245062 /nfs/dbraw/zinc/24/50/62/787245062.db2.gz GHUHNPDMLKOCEN-UONOGXRCSA-N 1 1 337.424 0.056 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001074565437 787271506 /nfs/dbraw/zinc/27/15/06/787271506.db2.gz HNNPVFUZAJJOSC-UHFFFAOYSA-N 1 1 346.431 0.465 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001074566614 787275876 /nfs/dbraw/zinc/27/58/76/787275876.db2.gz QAQFVRTUAHNUKR-UHFFFAOYSA-N 1 1 349.475 0.744 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC1(O)CCN(C(=O)C#CC(C)C)CC1 ZINC001074579420 787310424 /nfs/dbraw/zinc/31/04/24/787310424.db2.gz GEOQSOTTYCRCOM-UHFFFAOYSA-N 1 1 346.431 0.321 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074580871 787314711 /nfs/dbraw/zinc/31/47/11/787314711.db2.gz AJPVSCLALUZYDA-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074581981 787322757 /nfs/dbraw/zinc/32/27/57/787322757.db2.gz BKEPJWJBTKEJLF-ZBFHGGJFSA-N 1 1 347.459 0.067 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn3nccc3nc2C)C1 ZINC001073840543 787324385 /nfs/dbraw/zinc/32/43/85/787324385.db2.gz VCXOTKDDJQZWOH-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn3nccc3nc2C)C1 ZINC001073840223 787324929 /nfs/dbraw/zinc/32/49/29/787324929.db2.gz SIJHARQNNOKVBL-CQSZACIVSA-N 1 1 327.388 0.492 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn3nccc3nc2C)C1 ZINC001073840223 787324939 /nfs/dbraw/zinc/32/49/39/787324939.db2.gz SIJHARQNNOKVBL-CQSZACIVSA-N 1 1 327.388 0.492 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001073847678 787347579 /nfs/dbraw/zinc/34/75/79/787347579.db2.gz HCMCNEKXINMYCN-LSDHHAIUSA-N 1 1 347.419 0.084 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001073847678 787347587 /nfs/dbraw/zinc/34/75/87/787347587.db2.gz HCMCNEKXINMYCN-LSDHHAIUSA-N 1 1 347.419 0.084 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001073861878 787387741 /nfs/dbraw/zinc/38/77/41/787387741.db2.gz JONILTFBNOUUOT-AWEZNQCLSA-N 1 1 332.404 0.448 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001073862828 787390592 /nfs/dbraw/zinc/39/05/92/787390592.db2.gz YPLYBULHTYKSPS-CYBMUJFWSA-N 1 1 341.367 0.024 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001073862828 787390603 /nfs/dbraw/zinc/39/06/03/787390603.db2.gz YPLYBULHTYKSPS-CYBMUJFWSA-N 1 1 341.367 0.024 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(=O)NC)CCCO2)nc1 ZINC001073865572 787400017 /nfs/dbraw/zinc/40/00/17/787400017.db2.gz JWKAVNDKAMUBEE-UKRRQHHQSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)CCCO2)nc1 ZINC001073865572 787400023 /nfs/dbraw/zinc/40/00/23/787400023.db2.gz JWKAVNDKAMUBEE-UKRRQHHQSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)cn1 ZINC001073866139 787400925 /nfs/dbraw/zinc/40/09/25/787400925.db2.gz STEHZXQPGKPGDD-YJBOKZPZSA-N 1 1 343.427 0.920 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001073883608 787429532 /nfs/dbraw/zinc/42/95/32/787429532.db2.gz SNSHAXMPMHIWOW-HNNXBMFYSA-N 1 1 346.431 0.497 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001073883608 787429539 /nfs/dbraw/zinc/42/95/39/787429539.db2.gz SNSHAXMPMHIWOW-HNNXBMFYSA-N 1 1 346.431 0.497 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001073883724 787431525 /nfs/dbraw/zinc/43/15/25/787431525.db2.gz VZHRIACJHCRNJB-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 ZINC001074625415 787436448 /nfs/dbraw/zinc/43/64/48/787436448.db2.gz AIFWBSUGZXSNDZ-CYBMUJFWSA-N 1 1 338.452 0.346 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001074627745 787444105 /nfs/dbraw/zinc/44/41/05/787444105.db2.gz RNJXGYPWFVLGKA-OAGGEKHMSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001074627745 787444110 /nfs/dbraw/zinc/44/41/10/787444110.db2.gz RNJXGYPWFVLGKA-OAGGEKHMSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001073890671 787449080 /nfs/dbraw/zinc/44/90/80/787449080.db2.gz HNNKKEPLQPCUGH-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001073898816 787473160 /nfs/dbraw/zinc/47/31/60/787473160.db2.gz COALIGFHWCBANT-HZPDHXFCSA-N 1 1 347.463 0.932 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(N(C)C)ccn2)C1 ZINC001073905965 787491164 /nfs/dbraw/zinc/49/11/64/787491164.db2.gz PAXVUBNUWMHCRI-MRXNPFEDSA-N 1 1 330.432 0.992 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001073906411 787492327 /nfs/dbraw/zinc/49/23/27/787492327.db2.gz WXSWPKQIQRMULI-ZDUSSCGKSA-N 1 1 330.388 0.025 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001073906411 787492333 /nfs/dbraw/zinc/49/23/33/787492333.db2.gz WXSWPKQIQRMULI-ZDUSSCGKSA-N 1 1 330.388 0.025 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001073949724 787569361 /nfs/dbraw/zinc/56/93/61/787569361.db2.gz UWUVNAQMAPHLLV-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001074707112 787649529 /nfs/dbraw/zinc/64/95/29/787649529.db2.gz UKNZLIDLIHPLHJ-UONOGXRCSA-N 1 1 336.436 0.100 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001074731430 787722167 /nfs/dbraw/zinc/72/21/67/787722167.db2.gz QXJSMSQZWXBJMJ-ZIAGYGMSSA-N 1 1 336.436 0.100 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072592329 788386459 /nfs/dbraw/zinc/38/64/59/788386459.db2.gz ADLWVKFJYCSTNC-UHFFFAOYSA-N 1 1 325.376 0.363 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072592329 788386468 /nfs/dbraw/zinc/38/64/68/788386468.db2.gz ADLWVKFJYCSTNC-UHFFFAOYSA-N 1 1 325.376 0.363 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cn(C)cn4)C3)C2)C1=O ZINC001072616444 788438889 /nfs/dbraw/zinc/43/88/89/788438889.db2.gz BCAOKSKSQKJHLK-HNNXBMFYSA-N 1 1 343.431 0.355 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)C1=O ZINC001072635622 788476145 /nfs/dbraw/zinc/47/61/45/788476145.db2.gz SXSTZQNBQFBUOF-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CC[N@@H+](CCN2CCNC2=O)C3)c[nH]1 ZINC001072643840 788491817 /nfs/dbraw/zinc/49/18/17/788491817.db2.gz BLOLSRAQQRQAKL-UHFFFAOYSA-N 1 1 342.403 0.059 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001074891724 788498518 /nfs/dbraw/zinc/49/85/18/788498518.db2.gz KMYBHEDAJJGTMN-ZFWWWQNUSA-N 1 1 334.420 0.890 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001074974753 788649905 /nfs/dbraw/zinc/64/99/05/788649905.db2.gz IUTYUQZPLGFLMP-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001074992438 788682162 /nfs/dbraw/zinc/68/21/62/788682162.db2.gz DVNDIOQIHQNVBO-GDBMZVCRSA-N 1 1 346.431 0.727 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001072797186 788816335 /nfs/dbraw/zinc/81/63/35/788816335.db2.gz OIJRWDWVZBUPFQ-MRXNPFEDSA-N 1 1 349.475 0.982 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)C2)C1 ZINC001072803250 788838706 /nfs/dbraw/zinc/83/87/06/788838706.db2.gz JLIQTQHXOQPOKB-ZDUSSCGKSA-N 1 1 330.436 0.699 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC001072901242 789072149 /nfs/dbraw/zinc/07/21/49/789072149.db2.gz GVTKAFXLZSKAES-UHFFFAOYSA-N 1 1 338.795 0.236 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC001072901242 789072153 /nfs/dbraw/zinc/07/21/53/789072153.db2.gz GVTKAFXLZSKAES-UHFFFAOYSA-N 1 1 338.795 0.236 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4CNC(=O)N4)C3)C2)s1 ZINC001072932001 789132546 /nfs/dbraw/zinc/13/25/46/789132546.db2.gz OFHLEQGDBGXEBG-CYBMUJFWSA-N 1 1 345.428 0.335 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001072934834 789134758 /nfs/dbraw/zinc/13/47/58/789134758.db2.gz XHKGCQULFKSWLZ-UHFFFAOYSA-N 1 1 328.372 0.086 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)N(C)C1CC1)C2 ZINC001072994586 789245166 /nfs/dbraw/zinc/24/51/66/789245166.db2.gz ISNPGZCQKMPCMQ-CVEARBPZSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cc(C)c(C(N)=O)cn3)C2)C1 ZINC001072999841 789255228 /nfs/dbraw/zinc/25/52/28/789255228.db2.gz UNFOYBRUFKSVHU-UHFFFAOYSA-N 1 1 326.400 0.660 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001073027156 789299782 /nfs/dbraw/zinc/29/97/82/789299782.db2.gz DUHPJEDQESYVIV-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccn[nH]3)CC2)C1 ZINC001075387674 789314613 /nfs/dbraw/zinc/31/46/13/789314613.db2.gz BGHDXKZLPSHCTO-DOTOQJQBSA-N 1 1 330.432 0.961 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)c3[nH]nnc3C)CC2)C1 ZINC001075392754 789319357 /nfs/dbraw/zinc/31/93/57/789319357.db2.gz JVQYXVZTINWXEN-CABCVRRESA-N 1 1 331.420 0.736 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C4=COCCO4)[C@@H]3C2)C1=O ZINC001075517367 789443181 /nfs/dbraw/zinc/44/31/81/789443181.db2.gz YZOJSOQLXUDVHC-RRFJBIMHSA-N 1 1 347.415 0.194 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC001073111144 789458477 /nfs/dbraw/zinc/45/84/77/789458477.db2.gz UJOGPGYKSXXESL-AWEZNQCLSA-N 1 1 329.404 0.411 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnn(C)c4)[C@@H]3C2)C1=O ZINC001075533900 789466470 /nfs/dbraw/zinc/46/64/70/789466470.db2.gz NBWYVKAHDFSTRM-NUEKZKHPSA-N 1 1 343.431 0.353 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC001073124631 789480587 /nfs/dbraw/zinc/48/05/87/789480587.db2.gz VYZSYDLLVUSTQY-UHFFFAOYSA-N 1 1 332.360 0.068 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cccn4C)[C@@H]3C2)C1=O ZINC001075558289 789493435 /nfs/dbraw/zinc/49/34/35/789493435.db2.gz FGVQHGCYUCGECY-USXIJHARSA-N 1 1 342.443 0.958 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)O)C2 ZINC001073135668 789507224 /nfs/dbraw/zinc/50/72/24/789507224.db2.gz LEBNZWSHLNIFOA-AWEZNQCLSA-N 1 1 329.400 0.622 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001073158936 789550555 /nfs/dbraw/zinc/55/05/55/789550555.db2.gz WWLOBESFPLPVOV-HNNXBMFYSA-N 1 1 346.431 0.727 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccnn4C)[C@@H]3C2)C1=O ZINC001075609118 789562333 /nfs/dbraw/zinc/56/23/33/789562333.db2.gz XTSQTRUOXKTZLG-CWRNSKLLSA-N 1 1 343.431 0.353 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001075619465 789579984 /nfs/dbraw/zinc/57/99/84/789579984.db2.gz DEYPAWXBYMJUQN-UHOFOFEASA-N 1 1 326.400 0.978 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C(=O)C(C)(C)C)[C@@H]3C2)C1=O ZINC001075625369 789585448 /nfs/dbraw/zinc/58/54/48/789585448.db2.gz BKOWHGYGIDBJOO-SOUVJXGZSA-N 1 1 347.459 0.921 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ocnc4C)[C@@H]3C2)C1=O ZINC001075654394 789622818 /nfs/dbraw/zinc/62/28/18/789622818.db2.gz WYABGFOTBCEJFF-SOUVJXGZSA-N 1 1 344.415 0.916 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001073255912 789661585 /nfs/dbraw/zinc/66/15/85/789661585.db2.gz HOJAGKXYWYZWLF-UHFFFAOYSA-N 1 1 337.464 0.865 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[N@H+](C[C@@H]2CCOC2)C3)CC1 ZINC001073457494 789865636 /nfs/dbraw/zinc/86/56/36/789865636.db2.gz SPEIBBQAOGPTDR-KRWDZBQOSA-N 1 1 345.487 0.902 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[N@@H+](C[C@@H]2CCOC2)C3)CC1 ZINC001073457494 789865643 /nfs/dbraw/zinc/86/56/43/789865643.db2.gz SPEIBBQAOGPTDR-KRWDZBQOSA-N 1 1 345.487 0.902 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3ccc(C#N)cn3)C(C)(C)C2)C1 ZINC001069545260 789890561 /nfs/dbraw/zinc/89/05/61/789890561.db2.gz HMFQOGWIWBTKIV-LSDHHAIUSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3ccc(C#N)cn3)C(C)(C)C2)C1 ZINC001069545260 789890568 /nfs/dbraw/zinc/89/05/68/789890568.db2.gz HMFQOGWIWBTKIV-LSDHHAIUSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3ccncc3C#N)C(C)(C)C2)C1 ZINC001069553510 789895133 /nfs/dbraw/zinc/89/51/33/789895133.db2.gz YCPPIIXEIDCRMY-JKSUJKDBSA-N 1 1 343.431 0.355 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3ccncc3C#N)C(C)(C)C2)C1 ZINC001069553510 789895137 /nfs/dbraw/zinc/89/51/37/789895137.db2.gz YCPPIIXEIDCRMY-JKSUJKDBSA-N 1 1 343.431 0.355 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC(Nc2nccnc2C#N)C1 ZINC001069719612 789986884 /nfs/dbraw/zinc/98/68/84/789986884.db2.gz QNNKBKVAYKPDCH-YIZWMMSDSA-N 1 1 330.392 0.080 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC(Nc2nccnc2C#N)C1 ZINC001069719612 789986886 /nfs/dbraw/zinc/98/68/86/789986886.db2.gz QNNKBKVAYKPDCH-YIZWMMSDSA-N 1 1 330.392 0.080 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC(Nc3ccnc(C#N)n3)C2)C1 ZINC001069794904 790039155 /nfs/dbraw/zinc/03/91/55/790039155.db2.gz OPFPSECJRNAOBF-IYXRBSQSSA-N 1 1 328.420 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(Nc2nccnc2C#N)C1 ZINC001069801927 790042005 /nfs/dbraw/zinc/04/20/05/790042005.db2.gz HUNOEHCYHYXFFT-XUJLQICISA-N 1 1 338.415 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(Nc2nccnc2C#N)C1 ZINC001069801927 790042010 /nfs/dbraw/zinc/04/20/10/790042010.db2.gz HUNOEHCYHYXFFT-XUJLQICISA-N 1 1 338.415 0.847 20 30 ECEDMO C=CCN1CCn2ncc(CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)c2C1 ZINC001069870541 790131359 /nfs/dbraw/zinc/13/13/59/790131359.db2.gz DDMBNABVVNKZPV-KRWDZBQOSA-N 1 1 347.463 0.610 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)c2C1 ZINC001069877138 790139437 /nfs/dbraw/zinc/13/94/37/790139437.db2.gz GDNKNUADDISVCQ-SJORKVTESA-N 1 1 341.459 0.965 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069900445 790168160 /nfs/dbraw/zinc/16/81/60/790168160.db2.gz FPXSQBYXJUHKJH-CABCVRRESA-N 1 1 329.408 0.401 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069900445 790168162 /nfs/dbraw/zinc/16/81/62/790168162.db2.gz FPXSQBYXJUHKJH-CABCVRRESA-N 1 1 329.408 0.401 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069908814 790177863 /nfs/dbraw/zinc/17/78/63/790177863.db2.gz RRWSFYZZNJWURW-CABCVRRESA-N 1 1 329.408 0.470 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069908814 790177868 /nfs/dbraw/zinc/17/78/68/790177868.db2.gz RRWSFYZZNJWURW-CABCVRRESA-N 1 1 329.408 0.470 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069908814 790177875 /nfs/dbraw/zinc/17/78/75/790177875.db2.gz RRWSFYZZNJWURW-CABCVRRESA-N 1 1 329.408 0.470 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069908814 790177881 /nfs/dbraw/zinc/17/78/81/790177881.db2.gz RRWSFYZZNJWURW-CABCVRRESA-N 1 1 329.408 0.470 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2cncn2)[C@@H](n2ccnn2)C1 ZINC001069911866 790180646 /nfs/dbraw/zinc/18/06/46/790180646.db2.gz AUKGVQZFTZKPSI-MCIONIFRSA-N 1 1 330.396 0.048 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](n2ccnn2)C1 ZINC001069915123 790184843 /nfs/dbraw/zinc/18/48/43/790184843.db2.gz MHGVEXUDLZRKSK-KGLIPLIRSA-N 1 1 335.408 0.349 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@@H](n2ccnn2)C1 ZINC001069918128 790188105 /nfs/dbraw/zinc/18/81/05/790188105.db2.gz AFDRPLFGYAHWMB-KGLIPLIRSA-N 1 1 329.408 0.726 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@@H](n2ccnn2)C1 ZINC001069918128 790188108 /nfs/dbraw/zinc/18/81/08/790188108.db2.gz AFDRPLFGYAHWMB-KGLIPLIRSA-N 1 1 329.408 0.726 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069943150 790220393 /nfs/dbraw/zinc/22/03/93/790220393.db2.gz DLUCPFCMDQZIPG-ZBFHGGJFSA-N 1 1 339.403 0.099 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069943150 790220395 /nfs/dbraw/zinc/22/03/95/790220395.db2.gz DLUCPFCMDQZIPG-ZBFHGGJFSA-N 1 1 339.403 0.099 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001069950410 790230127 /nfs/dbraw/zinc/23/01/27/790230127.db2.gz RYOCVDUJPNNGLK-XOUADPBQSA-N 1 1 341.419 0.723 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001069950410 790230132 /nfs/dbraw/zinc/23/01/32/790230132.db2.gz RYOCVDUJPNNGLK-XOUADPBQSA-N 1 1 341.419 0.723 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001069950410 790230140 /nfs/dbraw/zinc/23/01/40/790230140.db2.gz RYOCVDUJPNNGLK-XOUADPBQSA-N 1 1 341.419 0.723 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069950226 790230495 /nfs/dbraw/zinc/23/04/95/790230495.db2.gz HZONMASSRCCIBR-CABCVRRESA-N 1 1 343.435 0.724 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069950226 790230497 /nfs/dbraw/zinc/23/04/97/790230497.db2.gz HZONMASSRCCIBR-CABCVRRESA-N 1 1 343.435 0.724 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2ccc(C#N)nn2)C[C@H]1C ZINC001069176412 791759694 /nfs/dbraw/zinc/75/96/94/791759694.db2.gz SHCDEYCSPHPXAO-BXUZGUMPSA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3ncccc3C#N)C2)C1 ZINC001066675131 791966177 /nfs/dbraw/zinc/96/61/77/791966177.db2.gz BNDFSXCCKWFFNQ-ZBFHGGJFSA-N 1 1 343.431 0.934 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2cnc(F)cn2)C1 ZINC001066689191 791996965 /nfs/dbraw/zinc/99/69/65/791996965.db2.gz GRAURZGAEKQATD-KGLIPLIRSA-N 1 1 347.394 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2cnc(F)cn2)C1 ZINC001066689191 791996973 /nfs/dbraw/zinc/99/69/73/791996973.db2.gz GRAURZGAEKQATD-KGLIPLIRSA-N 1 1 347.394 0.353 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[NH+]([C@@H]3CCN(C(C)=O)C3)CC2)n1 ZINC001066694287 792009332 /nfs/dbraw/zinc/00/93/32/792009332.db2.gz MJCFWUZOATZGKR-OAHLLOKOSA-N 1 1 328.420 0.653 20 30 ECEDMO N#Cc1nccc(N2CC[NH+]([C@@H]3CCN(C(=O)C4CC4)C3)CC2)n1 ZINC001066694648 792009536 /nfs/dbraw/zinc/00/95/36/792009536.db2.gz RJLQZRWKHLSSSM-CQSZACIVSA-N 1 1 326.404 0.481 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccc(C#N)nc3)C2)C1 ZINC001067838611 792351830 /nfs/dbraw/zinc/35/18/30/792351830.db2.gz POEBIYMFHBABGS-VDSRIPIWSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccc(C#N)nc3)C2)C1 ZINC001067838611 792351841 /nfs/dbraw/zinc/35/18/41/792351841.db2.gz POEBIYMFHBABGS-VDSRIPIWSA-N 1 1 329.404 0.591 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccc(C#N)nc3)C2)C1 ZINC001067852685 792371169 /nfs/dbraw/zinc/37/11/69/792371169.db2.gz LTZSFRUFLILBOR-IMRCBTMISA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccc(C#N)nc3)C2)C1 ZINC001067852685 792371177 /nfs/dbraw/zinc/37/11/77/792371177.db2.gz LTZSFRUFLILBOR-IMRCBTMISA-N 1 1 343.431 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNc2cnc(C#N)cn2)C1 ZINC001067898762 792443794 /nfs/dbraw/zinc/44/37/94/792443794.db2.gz XVASJKOWKPJTBB-XUJLQICISA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNc2cnc(C#N)cn2)C1 ZINC001067898762 792443801 /nfs/dbraw/zinc/44/38/01/792443801.db2.gz XVASJKOWKPJTBB-XUJLQICISA-N 1 1 338.415 0.753 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H](Nc2cncc(C#N)n2)C1 ZINC001067167483 792770665 /nfs/dbraw/zinc/77/06/65/792770665.db2.gz ZYQXRMIKMDSKIK-RISCZKNCSA-N 1 1 325.376 0.812 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3ccnc(C#N)n3)CC2)C1 ZINC001067247391 792883446 /nfs/dbraw/zinc/88/34/46/792883446.db2.gz AUHKOVARAWVIAU-CYBMUJFWSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3ccnc(C#N)n3)CC2)C1 ZINC001067247391 792883456 /nfs/dbraw/zinc/88/34/56/792883456.db2.gz AUHKOVARAWVIAU-CYBMUJFWSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCCN(C)C(=O)C#CC(C)C)C1 ZINC001067362801 793040954 /nfs/dbraw/zinc/04/09/54/793040954.db2.gz BIXRWAXGGUHROT-INIZCTEOSA-N 1 1 337.464 0.673 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCCN(C)C(=O)C#CC(C)C)C1 ZINC001067362801 793040964 /nfs/dbraw/zinc/04/09/64/793040964.db2.gz BIXRWAXGGUHROT-INIZCTEOSA-N 1 1 337.464 0.673 20 30 ECEDMO CC(C)C#CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001067363863 793041683 /nfs/dbraw/zinc/04/16/83/793041683.db2.gz YRZBLYUMATWLLV-DLBZAZTESA-N 1 1 349.475 0.816 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)C#CC1CC1 ZINC001067380592 793062150 /nfs/dbraw/zinc/06/21/50/793062150.db2.gz PSKVBPVHVDTJGO-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNc2ccnc(C#N)n2)C[C@@H]1C ZINC001068335711 793070823 /nfs/dbraw/zinc/07/08/23/793070823.db2.gz ORYGAGPSWSQGHC-GXTWGEPZSA-N 1 1 339.403 0.624 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068397766 793212248 /nfs/dbraw/zinc/21/22/48/793212248.db2.gz ABSJSSGHHWWDSE-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001068398913 793215487 /nfs/dbraw/zinc/21/54/87/793215487.db2.gz JIYSEPRDAAPKPV-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCOC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068398743 793215630 /nfs/dbraw/zinc/21/56/30/793215630.db2.gz CKBNRXRUVOAWHP-UHFFFAOYSA-N 1 1 344.415 0.291 20 30 ECEDMO C=CCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068447791 793327479 /nfs/dbraw/zinc/32/74/79/793327479.db2.gz VMGRTARVGBVOLV-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO CN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)c1cn(C)c(=O)[nH]1 ZINC001267424410 837396589 /nfs/dbraw/zinc/39/65/89/837396589.db2.gz ODYOKLZYBTVYKF-UHFFFAOYSA-N 1 1 331.351 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CCN2C(=O)CCC2=O)C1 ZINC001267465422 837469767 /nfs/dbraw/zinc/46/97/67/837469767.db2.gz FPYSMZKDIIRHCU-HNNXBMFYSA-N 1 1 333.432 0.862 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1n[nH]cc1C)c1ccccc1 ZINC001267522186 837675362 /nfs/dbraw/zinc/67/53/62/837675362.db2.gz ZTYAUVCBIZNWHY-HNNXBMFYSA-N 1 1 339.399 0.528 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2coc(C)n2)C1 ZINC001267524510 837682571 /nfs/dbraw/zinc/68/25/71/837682571.db2.gz UJTJFRDGRMZCNG-GXTWGEPZSA-N 1 1 332.404 0.563 20 30 ECEDMO C=CCCC[N@H+]1CC[C@@H](CCNC(=O)CN2CCCS2(=O)=O)C1 ZINC001267536339 837716146 /nfs/dbraw/zinc/71/61/46/837716146.db2.gz QZRPTIARTQVEEE-OAHLLOKOSA-N 1 1 343.493 0.816 20 30 ECEDMO CCc1c[nH]c(CC(=O)NCC[C@H]2CC[N@@H+](CC#CCOC)C2)n1 ZINC001267536340 837716161 /nfs/dbraw/zinc/71/61/61/837716161.db2.gz QZYQHTPEKBALJP-HNNXBMFYSA-N 1 1 332.448 0.993 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2cnc3n2CCOC3)C1 ZINC001267536229 837716308 /nfs/dbraw/zinc/71/63/08/837716308.db2.gz OVQNEEKJECPOIT-OAHLLOKOSA-N 1 1 346.431 0.505 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001267536517 837717607 /nfs/dbraw/zinc/71/76/07/837717607.db2.gz UUOFPHVCMKIGGD-STQMWFEESA-N 1 1 342.390 0.890 20 30 ECEDMO CCCN(C(=O)CSCC#N)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001267539697 837724089 /nfs/dbraw/zinc/72/40/89/837724089.db2.gz UEJUZLNXIBOQOJ-STQMWFEESA-N 1 1 326.466 0.691 20 30 ECEDMO CCCN(C(=O)CSCC#N)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001267539697 837724093 /nfs/dbraw/zinc/72/40/93/837724093.db2.gz UEJUZLNXIBOQOJ-STQMWFEESA-N 1 1 326.466 0.691 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2cnn3c2OCCC3)C1 ZINC001267543874 837732135 /nfs/dbraw/zinc/73/21/35/837732135.db2.gz GYEKJNYGOVVWEY-HNNXBMFYSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CCNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001267545670 837736506 /nfs/dbraw/zinc/73/65/06/837736506.db2.gz VLWONKRMQPCPHI-AWEZNQCLSA-N 1 1 329.400 0.626 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCC)[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001267548599 837744484 /nfs/dbraw/zinc/74/44/84/837744484.db2.gz JDFIHQLXBRUHMF-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCC)[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001267548599 837744491 /nfs/dbraw/zinc/74/44/91/837744491.db2.gz JDFIHQLXBRUHMF-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)c2[nH]cnc2C)C1 ZINC001267549746 837750689 /nfs/dbraw/zinc/75/06/89/837750689.db2.gz IDXSSZFABQWXCV-HUUCEWRRSA-N 1 1 345.447 0.783 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)c2[nH]cnc2C)C1 ZINC001267549746 837750694 /nfs/dbraw/zinc/75/06/94/837750694.db2.gz IDXSSZFABQWXCV-HUUCEWRRSA-N 1 1 345.447 0.783 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2[nH]nnc2C)C1 ZINC001267551866 837752862 /nfs/dbraw/zinc/75/28/62/837752862.db2.gz HXZIXMYGALKUND-STQMWFEESA-N 1 1 334.424 0.246 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2cncc(C)c2)C1 ZINC001267552654 837755108 /nfs/dbraw/zinc/75/51/08/837755108.db2.gz QALJBRKOLMNJII-INIZCTEOSA-N 1 1 342.443 0.510 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001267554743 837759923 /nfs/dbraw/zinc/75/99/23/837759923.db2.gz BMMLHSDUAVRCCR-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2nnc(C)o2)C1 ZINC001267557108 837764348 /nfs/dbraw/zinc/76/43/48/837764348.db2.gz YPQIYABCXTXXOO-CYBMUJFWSA-N 1 1 335.408 0.051 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001267558384 837765439 /nfs/dbraw/zinc/76/54/39/837765439.db2.gz XYIWKISESMIQGN-CABCVRRESA-N 1 1 335.452 0.765 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001267557627 837765886 /nfs/dbraw/zinc/76/58/86/837765886.db2.gz JREVIZJHOGZIQM-LBPRGKRZSA-N 1 1 339.417 0.392 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001267558654 837768323 /nfs/dbraw/zinc/76/83/23/837768323.db2.gz DJTSNSHSISXLAU-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cncc(CC)c2)C1 ZINC001267561894 837772585 /nfs/dbraw/zinc/77/25/85/837772585.db2.gz VOMLOFDPKCAGNT-MRXNPFEDSA-N 1 1 342.443 0.835 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001267564862 837780243 /nfs/dbraw/zinc/78/02/43/837780243.db2.gz GOMYXVJMRLYILE-OAGGEKHMSA-N 1 1 335.448 0.708 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CCNC(=O)Cc3cnc[nH]3)C2)C1=O ZINC001267566934 837785898 /nfs/dbraw/zinc/78/58/98/837785898.db2.gz KLLOWXCZDGMPEK-HOCLYGCPSA-N 1 1 345.447 0.567 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)Cc2c(C)noc2C)CC1 ZINC001267575832 837828249 /nfs/dbraw/zinc/82/82/49/837828249.db2.gz LTDSIEDEVOOHDO-UHFFFAOYSA-N 1 1 332.448 0.933 20 30 ECEDMO CC#CCN1CC[NH+](CCN(C)C(=O)Cc2c(C)noc2C)CC1 ZINC001267575832 837828257 /nfs/dbraw/zinc/82/82/57/837828257.db2.gz LTDSIEDEVOOHDO-UHFFFAOYSA-N 1 1 332.448 0.933 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCNC(=O)C2(C)CCC2)CC1 ZINC001266270310 835590906 /nfs/dbraw/zinc/59/09/06/835590906.db2.gz ZXLZLALJTTVYFO-UHFFFAOYSA-N 1 1 334.464 0.050 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)[C@@H]2CCCCN(C)C2=O)CC1 ZINC001266275942 835600368 /nfs/dbraw/zinc/60/03/68/835600368.db2.gz SDHRCCBXDQUIHC-KRWDZBQOSA-N 1 1 348.491 0.392 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn(CC)nc1C1CC1 ZINC001266278937 835605886 /nfs/dbraw/zinc/60/58/86/835605886.db2.gz WWKOQEJDTADGGR-ZDUSSCGKSA-N 1 1 345.447 0.580 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn(CC)nc1C1CC1 ZINC001266278937 835605892 /nfs/dbraw/zinc/60/58/92/835605892.db2.gz WWKOQEJDTADGGR-ZDUSSCGKSA-N 1 1 345.447 0.580 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1ccccc1 ZINC001266289053 835632936 /nfs/dbraw/zinc/63/29/36/835632936.db2.gz ZSNNVVMJRBJEBF-AWEZNQCLSA-N 1 1 346.431 0.677 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1ccccc1 ZINC001266289053 835632940 /nfs/dbraw/zinc/63/29/40/835632940.db2.gz ZSNNVVMJRBJEBF-AWEZNQCLSA-N 1 1 346.431 0.677 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2c[nH]nc2-c2ccoc2)CC1 ZINC001266290030 835633248 /nfs/dbraw/zinc/63/32/48/835633248.db2.gz KXMAXFMWEJQWBA-UHFFFAOYSA-N 1 1 327.388 0.650 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C[C@@H](C)n2ccc(C)n2)C1=O ZINC001266306506 835670811 /nfs/dbraw/zinc/67/08/11/835670811.db2.gz UWWBZNLFUYNKOM-HZPDHXFCSA-N 1 1 347.463 0.978 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C[C@@H](C)n2ccc(C)n2)C1=O ZINC001266306506 835670817 /nfs/dbraw/zinc/67/08/17/835670817.db2.gz UWWBZNLFUYNKOM-HZPDHXFCSA-N 1 1 347.463 0.978 20 30 ECEDMO C=CCOCCCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001266314937 835682347 /nfs/dbraw/zinc/68/23/47/835682347.db2.gz MQNPPCQKAOOKTG-STQMWFEESA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCOCCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001266314937 835682350 /nfs/dbraw/zinc/68/23/50/835682350.db2.gz MQNPPCQKAOOKTG-STQMWFEESA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCCF)C1 ZINC001266335979 835718802 /nfs/dbraw/zinc/71/88/02/835718802.db2.gz HWQPAOKVSDJONJ-RYUDHWBXSA-N 1 1 328.388 0.327 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CCCF)C1 ZINC001266335979 835718804 /nfs/dbraw/zinc/71/88/04/835718804.db2.gz HWQPAOKVSDJONJ-RYUDHWBXSA-N 1 1 328.388 0.327 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H](C)c2c(C)n[nH]c2C)C1=O ZINC001266340102 835726090 /nfs/dbraw/zinc/72/60/90/835726090.db2.gz KECYEONRQFOYPL-DOMZBBRYSA-N 1 1 347.463 0.965 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@H](C)c2c(C)n[nH]c2C)C1=O ZINC001266340102 835726092 /nfs/dbraw/zinc/72/60/92/835726092.db2.gz KECYEONRQFOYPL-DOMZBBRYSA-N 1 1 347.463 0.965 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccc2[nH]c(C)nc21 ZINC001266345168 835734538 /nfs/dbraw/zinc/73/45/38/835734538.db2.gz XJXOZYZZESRKDZ-LBPRGKRZSA-N 1 1 341.415 0.671 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccc2[nH]c(C)nc21 ZINC001266345168 835734545 /nfs/dbraw/zinc/73/45/45/835734545.db2.gz XJXOZYZZESRKDZ-LBPRGKRZSA-N 1 1 341.415 0.671 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnn(C)c1C(F)F ZINC001266347784 835739907 /nfs/dbraw/zinc/73/99/07/835739907.db2.gz RFBJZCIMQBBIPY-JTQLQIEISA-N 1 1 343.378 0.710 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnn(C)c1C(F)F ZINC001266347784 835739912 /nfs/dbraw/zinc/73/99/12/835739912.db2.gz RFBJZCIMQBBIPY-JTQLQIEISA-N 1 1 343.378 0.710 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOC2CCOCC2)C1 ZINC001266353412 835755010 /nfs/dbraw/zinc/75/50/10/835755010.db2.gz VEAOVQYZDCOXBF-AWEZNQCLSA-N 1 1 339.436 0.065 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCOC2CCOCC2)C1 ZINC001266353412 835755020 /nfs/dbraw/zinc/75/50/20/835755020.db2.gz VEAOVQYZDCOXBF-AWEZNQCLSA-N 1 1 339.436 0.065 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001266362326 835773299 /nfs/dbraw/zinc/77/32/99/835773299.db2.gz DCJYOHRJQVPCMN-QGZVFWFLSA-N 1 1 337.427 0.940 20 30 ECEDMO C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001266362326 835773311 /nfs/dbraw/zinc/77/33/11/835773311.db2.gz DCJYOHRJQVPCMN-QGZVFWFLSA-N 1 1 337.427 0.940 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001266363144 835774305 /nfs/dbraw/zinc/77/43/05/835774305.db2.gz FEIJYHUKOXNNRW-OAHLLOKOSA-N 1 1 344.477 0.594 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001266363144 835774315 /nfs/dbraw/zinc/77/43/15/835774315.db2.gz FEIJYHUKOXNNRW-OAHLLOKOSA-N 1 1 344.477 0.594 20 30 ECEDMO CCc1cc(C(=O)N[C@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)no1 ZINC001266381212 835792281 /nfs/dbraw/zinc/79/22/81/835792281.db2.gz YOTBXEARLGBGDC-AWEZNQCLSA-N 1 1 345.403 0.461 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@H+](CC)[C@H]1CCN(C2CCC2)C1=O ZINC001266390962 835800655 /nfs/dbraw/zinc/80/06/55/835800655.db2.gz UDMSXHNMQJSDBN-ZBFHGGJFSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001266398681 835805691 /nfs/dbraw/zinc/80/56/91/835805691.db2.gz CUXQYOLVJRCXTJ-GJZGRUSLSA-N 1 1 345.447 0.022 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001266398681 835805697 /nfs/dbraw/zinc/80/56/97/835805697.db2.gz CUXQYOLVJRCXTJ-GJZGRUSLSA-N 1 1 345.447 0.022 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001266452498 835854138 /nfs/dbraw/zinc/85/41/38/835854138.db2.gz OIHARHOPRDBDSP-CQSZACIVSA-N 1 1 332.466 0.404 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1nccn1CC ZINC001266457259 835860392 /nfs/dbraw/zinc/86/03/92/835860392.db2.gz ICWUNLJGZQZBRH-KGLIPLIRSA-N 1 1 333.436 0.788 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1nccn1CC ZINC001266457259 835860395 /nfs/dbraw/zinc/86/03/95/835860395.db2.gz ICWUNLJGZQZBRH-KGLIPLIRSA-N 1 1 333.436 0.788 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCC[N@H+]1CCCN1CCCC1=O ZINC001266457857 835860735 /nfs/dbraw/zinc/86/07/35/835860735.db2.gz NTBSMQJYJRQOFZ-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001266458825 835862238 /nfs/dbraw/zinc/86/22/38/835862238.db2.gz CWDAXISMWOBUEH-CQSZACIVSA-N 1 1 331.482 0.672 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnn1CC(C)C ZINC001266464559 835865948 /nfs/dbraw/zinc/86/59/48/835865948.db2.gz CQOKMKUUGBLDBC-HNNXBMFYSA-N 1 1 345.447 0.483 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnn1CC(C)C ZINC001266464559 835865955 /nfs/dbraw/zinc/86/59/55/835865955.db2.gz CQOKMKUUGBLDBC-HNNXBMFYSA-N 1 1 345.447 0.483 20 30 ECEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1CCN(C)S(C)(=O)=O ZINC001266464968 835866124 /nfs/dbraw/zinc/86/61/24/835866124.db2.gz MEWMSZRBAMTWOT-CQSZACIVSA-N 1 1 331.482 0.815 20 30 ECEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+]1CCN(C)S(C)(=O)=O ZINC001266464968 835866127 /nfs/dbraw/zinc/86/61/27/835866127.db2.gz MEWMSZRBAMTWOT-CQSZACIVSA-N 1 1 331.482 0.815 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2n1CCC2 ZINC001266467933 835868646 /nfs/dbraw/zinc/86/86/46/835868646.db2.gz GSFLAQXIKSJFEO-KGLIPLIRSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cnc2n1CCC2 ZINC001266467933 835868654 /nfs/dbraw/zinc/86/86/54/835868654.db2.gz GSFLAQXIKSJFEO-KGLIPLIRSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2n1CCC2 ZINC001266467935 835868672 /nfs/dbraw/zinc/86/86/72/835868672.db2.gz GSFLAQXIKSJFEO-ZIAGYGMSSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2n1CCC2 ZINC001266467935 835868679 /nfs/dbraw/zinc/86/86/79/835868679.db2.gz GSFLAQXIKSJFEO-ZIAGYGMSSA-N 1 1 345.447 0.714 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)COCc1nccn1C ZINC001266468038 835869825 /nfs/dbraw/zinc/86/98/25/835869825.db2.gz IKJSOGMIBIMLTL-HNNXBMFYSA-N 1 1 334.420 0.167 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)COCc1nccn1C ZINC001266468038 835869834 /nfs/dbraw/zinc/86/98/34/835869834.db2.gz IKJSOGMIBIMLTL-HNNXBMFYSA-N 1 1 334.420 0.167 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001266469701 835871127 /nfs/dbraw/zinc/87/11/27/835871127.db2.gz QRCWPDMCKJYIPI-MAUKXSAKSA-N 1 1 335.448 0.333 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001266511028 835918145 /nfs/dbraw/zinc/91/81/45/835918145.db2.gz IKZMSEOCKKKGIO-HZPDHXFCSA-N 1 1 340.489 0.909 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001266513767 835924906 /nfs/dbraw/zinc/92/49/06/835924906.db2.gz GNKAUUFMAUOKNZ-CABCVRRESA-N 1 1 340.489 0.909 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@]2(CC(C)C)CCNC2=O)C1 ZINC001266517145 835928401 /nfs/dbraw/zinc/92/84/01/835928401.db2.gz HIACXJWXVUKSJD-APWZRJJASA-N 1 1 349.475 0.627 20 30 ECEDMO CC(C)Cn1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001266517758 835930105 /nfs/dbraw/zinc/93/01/05/835930105.db2.gz MXDNSZQTWWEFIZ-CQSZACIVSA-N 1 1 346.435 0.231 20 30 ECEDMO CC(C)Cn1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001266517758 835930109 /nfs/dbraw/zinc/93/01/09/835930109.db2.gz MXDNSZQTWWEFIZ-CQSZACIVSA-N 1 1 346.435 0.231 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(OC)cn2)C1 ZINC001266528310 835944916 /nfs/dbraw/zinc/94/49/16/835944916.db2.gz NMBPWDCTOWIDMA-HNNXBMFYSA-N 1 1 331.416 0.721 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(C3CC3)no2)C1 ZINC001266537227 835955252 /nfs/dbraw/zinc/95/52/52/835955252.db2.gz HAZVUCHVVHVPHE-QWHCGFSZSA-N 1 1 344.415 0.742 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001266537090 835955357 /nfs/dbraw/zinc/95/53/57/835955357.db2.gz DXNINNNKLWAEDF-NVXWUHKLSA-N 1 1 347.463 0.829 20 30 ECEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](C[C@H](O)COC)C2)CCOCC1 ZINC001266545962 835967396 /nfs/dbraw/zinc/96/73/96/835967396.db2.gz RWTLMTIMWAUCAF-CVEARBPZSA-N 1 1 340.464 0.805 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cnc2C)C1 ZINC001266546680 835967572 /nfs/dbraw/zinc/96/75/72/835967572.db2.gz VFEGPIQFDZYZID-UONOGXRCSA-N 1 1 333.436 0.389 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)COc2ccccc2F)C1 ZINC001266549518 835973535 /nfs/dbraw/zinc/97/35/35/835973535.db2.gz XDQDBSAZIBTIEC-AWEZNQCLSA-N 1 1 349.406 0.945 20 30 ECEDMO CC#CC[N@@H+](CCC)CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001266560527 835988375 /nfs/dbraw/zinc/98/83/75/835988375.db2.gz QIRZTMIWEIETJC-AWEZNQCLSA-N 1 1 331.420 0.614 20 30 ECEDMO CC#CC[N@@H+](CCNC(=O)c1cnc2c(c1)NC(=O)CO2)C1CC1 ZINC001266600089 836033740 /nfs/dbraw/zinc/03/37/40/836033740.db2.gz IULTUMZGGWMTHK-UHFFFAOYSA-N 1 1 328.372 0.630 20 30 ECEDMO CC(C)[C@@H](C(=O)NCCN1CCC(NCC#N)CC1)[NH+]1CCCC1 ZINC001279453052 836033933 /nfs/dbraw/zinc/03/39/33/836033933.db2.gz CIJCLPKLEXDYSM-KRWDZBQOSA-N 1 1 335.496 0.801 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)c1ccc(C(N)=O)nc1)C1CC1 ZINC001266622136 836058501 /nfs/dbraw/zinc/05/85/01/836058501.db2.gz RCNLWKOPPCQMPT-UHFFFAOYSA-N 1 1 330.388 0.025 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cc[nH]n2)C1 ZINC001266658925 836095076 /nfs/dbraw/zinc/09/50/76/836095076.db2.gz KAHMJNQPNQGQAY-HOCLYGCPSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccn[nH]2)C1 ZINC001266658925 836095082 /nfs/dbraw/zinc/09/50/82/836095082.db2.gz KAHMJNQPNQGQAY-HOCLYGCPSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccn[nH]2)C1 ZINC001266658925 836095088 /nfs/dbraw/zinc/09/50/88/836095088.db2.gz KAHMJNQPNQGQAY-HOCLYGCPSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CC[NH2+]Cc1nc(-c2ccco2)no1 ZINC001266696580 836159208 /nfs/dbraw/zinc/15/92/08/836159208.db2.gz MNEKEXCATZICGD-GFCCVEGCSA-N 1 1 332.360 0.916 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001408542153 836180198 /nfs/dbraw/zinc/18/01/98/836180198.db2.gz HAVGILMSESLQGK-GFCCVEGCSA-N 1 1 331.844 0.670 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001408542153 836180202 /nfs/dbraw/zinc/18/02/02/836180202.db2.gz HAVGILMSESLQGK-GFCCVEGCSA-N 1 1 331.844 0.670 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001279490180 836199898 /nfs/dbraw/zinc/19/98/98/836199898.db2.gz KGGCVOSLXNKICB-RHSMWYFYSA-N 1 1 325.453 0.810 20 30 ECEDMO N#CCSCC(=O)NCC1=CC[N@@H+](CCN2CCCC2=O)CC1 ZINC001279493433 836217252 /nfs/dbraw/zinc/21/72/52/836217252.db2.gz SRJMVULWWCLCLQ-UHFFFAOYSA-N 1 1 336.461 0.614 20 30 ECEDMO C[C@](O)(CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001266746803 836232718 /nfs/dbraw/zinc/23/27/18/836232718.db2.gz JJSHKHQIQQQNDZ-GUYCJALGSA-N 1 1 336.436 0.005 20 30 ECEDMO C[C@](O)(CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001266746803 836232725 /nfs/dbraw/zinc/23/27/25/836232725.db2.gz JJSHKHQIQQQNDZ-GUYCJALGSA-N 1 1 336.436 0.005 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001266751179 836241863 /nfs/dbraw/zinc/24/18/63/836241863.db2.gz CSOXVWYFNJLLRI-LSDHHAIUSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266751026 836242268 /nfs/dbraw/zinc/24/22/68/836242268.db2.gz ASLIIEBXAUWNML-CVEARBPZSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266751026 836242274 /nfs/dbraw/zinc/24/22/74/836242274.db2.gz ASLIIEBXAUWNML-CVEARBPZSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001266758117 836254568 /nfs/dbraw/zinc/25/45/68/836254568.db2.gz NYUGNGXOMAQGQI-HZPDHXFCSA-N 1 1 336.480 0.294 20 30 ECEDMO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1)c1c[nH]cn1 ZINC001266768015 836275719 /nfs/dbraw/zinc/27/57/19/836275719.db2.gz WJFRCEAFLPKZFO-ZDUSSCGKSA-N 1 1 346.435 0.155 20 30 ECEDMO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1)c1c[nH]cn1 ZINC001266768015 836275721 /nfs/dbraw/zinc/27/57/21/836275721.db2.gz WJFRCEAFLPKZFO-ZDUSSCGKSA-N 1 1 346.435 0.155 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC1CC1 ZINC001266839593 836361865 /nfs/dbraw/zinc/36/18/65/836361865.db2.gz DQPRHJVUKICLAZ-QAPCUYQASA-N 1 1 337.464 0.810 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC1CC1 ZINC001266839593 836361873 /nfs/dbraw/zinc/36/18/73/836361873.db2.gz DQPRHJVUKICLAZ-QAPCUYQASA-N 1 1 337.464 0.810 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CCNC(=O)C1CC1 ZINC001266842437 836368937 /nfs/dbraw/zinc/36/89/37/836368937.db2.gz OAFYBULUSYXJCJ-GDBMZVCRSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CCNC(=O)C1CC1 ZINC001266842437 836368944 /nfs/dbraw/zinc/36/89/44/836368944.db2.gz OAFYBULUSYXJCJ-GDBMZVCRSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CCc1cncn1C ZINC001266858604 836395413 /nfs/dbraw/zinc/39/54/13/836395413.db2.gz UGZLDBHUPKAZOK-INIZCTEOSA-N 1 1 347.463 0.626 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1cncn1C ZINC001266858604 836395426 /nfs/dbraw/zinc/39/54/26/836395426.db2.gz UGZLDBHUPKAZOK-INIZCTEOSA-N 1 1 347.463 0.626 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cnns2)C1 ZINC001266889070 836437676 /nfs/dbraw/zinc/43/76/76/836437676.db2.gz HTDBSGQVTQCUBB-NWDGAFQWSA-N 1 1 337.449 0.671 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cnns2)C1 ZINC001266889071 836437738 /nfs/dbraw/zinc/43/77/38/836437738.db2.gz HTDBSGQVTQCUBB-RYUDHWBXSA-N 1 1 337.449 0.671 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2coc(OC)n2)C1 ZINC001266892721 836442021 /nfs/dbraw/zinc/44/20/21/836442021.db2.gz XDGFDGGGKMAOAP-CHWSQXEVSA-N 1 1 348.403 0.263 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(OC)no2)C1 ZINC001266894854 836445127 /nfs/dbraw/zinc/44/51/27/836445127.db2.gz XPXMWMPMQZIREH-QWHCGFSZSA-N 1 1 348.403 0.263 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001266898362 836450548 /nfs/dbraw/zinc/45/05/48/836450548.db2.gz VHBOGSLSUPITQO-HZPDHXFCSA-N 1 1 334.464 0.048 20 30 ECEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001266899367 836452562 /nfs/dbraw/zinc/45/25/62/836452562.db2.gz ZFDXDANZSOURLN-NPCUJANDSA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001266899367 836452569 /nfs/dbraw/zinc/45/25/69/836452569.db2.gz ZFDXDANZSOURLN-NPCUJANDSA-N 1 1 335.448 0.683 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001408553906 836651770 /nfs/dbraw/zinc/65/17/70/836651770.db2.gz UVLIMYZRAYFUPL-OAHLLOKOSA-N 1 1 331.420 0.947 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)n2cccn2)C1 ZINC001267101224 836771560 /nfs/dbraw/zinc/77/15/60/836771560.db2.gz RCONIVHZTJURME-GJZGRUSLSA-N 1 1 331.420 0.116 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)n2cccn2)C1 ZINC001267101224 836771566 /nfs/dbraw/zinc/77/15/66/836771566.db2.gz RCONIVHZTJURME-GJZGRUSLSA-N 1 1 331.420 0.116 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)CCc2ccoc2)C1 ZINC001267103071 836779049 /nfs/dbraw/zinc/77/90/49/836779049.db2.gz RRXLIVMVOIFTTP-OAHLLOKOSA-N 1 1 332.404 0.775 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)CCc2ccoc2)C1 ZINC001267103071 836779058 /nfs/dbraw/zinc/77/90/58/836779058.db2.gz RRXLIVMVOIFTTP-OAHLLOKOSA-N 1 1 332.404 0.775 20 30 ECEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001267108313 836791686 /nfs/dbraw/zinc/79/16/86/836791686.db2.gz MHEZHBHRQCNTGP-KGLIPLIRSA-N 1 1 346.497 0.318 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnc(C)nc2C)C1 ZINC001267112330 836800251 /nfs/dbraw/zinc/80/02/51/836800251.db2.gz QMEHFGOEAGKPEM-OAHLLOKOSA-N 1 1 343.431 0.379 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cnc(C)nc2C)C1 ZINC001267112330 836800258 /nfs/dbraw/zinc/80/02/58/836800258.db2.gz QMEHFGOEAGKPEM-OAHLLOKOSA-N 1 1 343.431 0.379 20 30 ECEDMO CCc1ncc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)s1 ZINC001267117224 836814585 /nfs/dbraw/zinc/81/45/85/836814585.db2.gz QNUPLQQDZAMZJO-GFCCVEGCSA-N 1 1 349.460 0.882 20 30 ECEDMO CCc1ncc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)s1 ZINC001267117224 836814591 /nfs/dbraw/zinc/81/45/91/836814591.db2.gz QNUPLQQDZAMZJO-GFCCVEGCSA-N 1 1 349.460 0.882 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001267142759 836843797 /nfs/dbraw/zinc/84/37/97/836843797.db2.gz VXUFHEKYZQMSOQ-VXGBXAGGSA-N 1 1 334.424 0.011 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CCOC1 ZINC001267162379 836879956 /nfs/dbraw/zinc/87/99/56/836879956.db2.gz DRUMSMLDXOUNRL-GJZGRUSLSA-N 1 1 336.436 0.414 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCOCC1 ZINC001267165395 836887419 /nfs/dbraw/zinc/88/74/19/836887419.db2.gz VEOJIQJDLALPKB-DLBZAZTESA-N 1 1 349.475 0.913 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CCN(C)C1=O ZINC001267169187 836898695 /nfs/dbraw/zinc/89/86/95/836898695.db2.gz KXULGOCILSWBNM-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001267171529 836904805 /nfs/dbraw/zinc/90/48/05/836904805.db2.gz JEQAHEYQJXZTHA-LSDHHAIUSA-N 1 1 326.462 0.948 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001267173042 836909805 /nfs/dbraw/zinc/90/98/05/836909805.db2.gz DONHCZONRXCFHW-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2n[nH]c3c2CCC3)C1=O ZINC001267205216 836984266 /nfs/dbraw/zinc/98/42/66/836984266.db2.gz FNTQPVITIDSXAU-AWEZNQCLSA-N 1 1 331.420 0.347 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2n[nH]c3c2CCC3)C1=O ZINC001267205216 836984270 /nfs/dbraw/zinc/98/42/70/836984270.db2.gz FNTQPVITIDSXAU-AWEZNQCLSA-N 1 1 331.420 0.347 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001267213575 837002427 /nfs/dbraw/zinc/00/24/27/837002427.db2.gz QEKXIEHAGKJXDV-KBPBESRZSA-N 1 1 347.463 0.579 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001267213575 837002432 /nfs/dbraw/zinc/00/24/32/837002432.db2.gz QEKXIEHAGKJXDV-KBPBESRZSA-N 1 1 347.463 0.579 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1c[nH]c2cnccc12 ZINC001267213166 837002527 /nfs/dbraw/zinc/00/25/27/837002527.db2.gz BKEPUHRZDCAGSF-CYBMUJFWSA-N 1 1 341.415 0.291 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1c[nH]c2cnccc12 ZINC001267213166 837002533 /nfs/dbraw/zinc/00/25/33/837002533.db2.gz BKEPUHRZDCAGSF-CYBMUJFWSA-N 1 1 341.415 0.291 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(F)c(OC)c1 ZINC001267219784 837010877 /nfs/dbraw/zinc/01/08/77/837010877.db2.gz XELOZBYBCRETSR-LBPRGKRZSA-N 1 1 335.379 0.634 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc(F)c(OC)c1 ZINC001267219784 837010887 /nfs/dbraw/zinc/01/08/87/837010887.db2.gz XELOZBYBCRETSR-LBPRGKRZSA-N 1 1 335.379 0.634 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1snnc1C(C)C ZINC001267223846 837018967 /nfs/dbraw/zinc/01/89/67/837018967.db2.gz RKODVENWSRUNPM-LLVKDONJSA-N 1 1 337.449 0.461 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1snnc1C(C)C ZINC001267223846 837018975 /nfs/dbraw/zinc/01/89/75/837018975.db2.gz RKODVENWSRUNPM-LLVKDONJSA-N 1 1 337.449 0.461 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccc(NC(C)=O)c1 ZINC001267229813 837031619 /nfs/dbraw/zinc/03/16/19/837031619.db2.gz DUDKUQGJBGYJBY-ZDUSSCGKSA-N 1 1 344.415 0.445 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(NC(C)=O)c1 ZINC001267229813 837031631 /nfs/dbraw/zinc/03/16/31/837031631.db2.gz DUDKUQGJBGYJBY-ZDUSSCGKSA-N 1 1 344.415 0.445 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1ccncc1C ZINC001267241329 837049372 /nfs/dbraw/zinc/04/93/72/837049372.db2.gz SJNHYBOHOBWKHZ-UHFFFAOYSA-N 1 1 347.419 0.454 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1ccncc1C ZINC001267241329 837049376 /nfs/dbraw/zinc/04/93/76/837049376.db2.gz SJNHYBOHOBWKHZ-UHFFFAOYSA-N 1 1 347.419 0.454 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cncnc1CC ZINC001267256328 837079663 /nfs/dbraw/zinc/07/96/63/837079663.db2.gz RIUOBPOOTCMPTF-CYBMUJFWSA-N 1 1 331.420 0.229 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cncnc1CC ZINC001267256328 837079674 /nfs/dbraw/zinc/07/96/74/837079674.db2.gz RIUOBPOOTCMPTF-CYBMUJFWSA-N 1 1 331.420 0.229 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001267272979 837115437 /nfs/dbraw/zinc/11/54/37/837115437.db2.gz BJPXVUAWXXKALR-GFCCVEGCSA-N 1 1 343.387 0.508 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001267272979 837115442 /nfs/dbraw/zinc/11/54/42/837115442.db2.gz BJPXVUAWXXKALR-GFCCVEGCSA-N 1 1 343.387 0.508 20 30 ECEDMO COCC#CC[N@@H+](CCCNC(=O)c1cc(=O)n(C)cn1)C(C)C ZINC001267274406 837116644 /nfs/dbraw/zinc/11/66/44/837116644.db2.gz VDDLOTQNXQZKFX-UHFFFAOYSA-N 1 1 334.420 0.260 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cncs1 ZINC001267276645 837120978 /nfs/dbraw/zinc/12/09/78/837120978.db2.gz SLKGMIIATLPVJN-UONOGXRCSA-N 1 1 348.472 0.794 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1cncs1 ZINC001267276645 837120983 /nfs/dbraw/zinc/12/09/83/837120983.db2.gz SLKGMIIATLPVJN-UONOGXRCSA-N 1 1 348.472 0.794 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)Cc2nonc2C)C1=O ZINC001267279324 837125531 /nfs/dbraw/zinc/12/55/31/837125531.db2.gz BRLSODXFOGUYDP-ZFWWWQNUSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)Cc2nonc2C)C1=O ZINC001267279324 837125535 /nfs/dbraw/zinc/12/55/35/837125535.db2.gz BRLSODXFOGUYDP-ZFWWWQNUSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001267284067 837133618 /nfs/dbraw/zinc/13/36/18/837133618.db2.gz WQJWKSSSIMLUSS-DZGCQCFKSA-N 1 1 333.436 0.406 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001267284067 837133624 /nfs/dbraw/zinc/13/36/24/837133624.db2.gz WQJWKSSSIMLUSS-DZGCQCFKSA-N 1 1 333.436 0.406 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccn2)C1 ZINC001267285917 837136590 /nfs/dbraw/zinc/13/65/90/837136590.db2.gz QPKRYCWNSIVXLQ-ZDUSSCGKSA-N 1 1 345.403 0.145 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccccn2)C1 ZINC001267285917 837136598 /nfs/dbraw/zinc/13/65/98/837136598.db2.gz QPKRYCWNSIVXLQ-ZDUSSCGKSA-N 1 1 345.403 0.145 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001267285898 837137280 /nfs/dbraw/zinc/13/72/80/837137280.db2.gz QJQUHWCCKMLPQY-UONOGXRCSA-N 1 1 331.420 0.527 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001267288798 837140402 /nfs/dbraw/zinc/14/04/02/837140402.db2.gz UXMTYUUIQNJYJI-LSDHHAIUSA-N 1 1 343.493 0.672 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267291672 837141645 /nfs/dbraw/zinc/14/16/45/837141645.db2.gz JZWAPNIPRLIQQF-HIFRSBDPSA-N 1 1 332.466 0.186 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267291672 837141650 /nfs/dbraw/zinc/14/16/50/837141650.db2.gz JZWAPNIPRLIQQF-HIFRSBDPSA-N 1 1 332.466 0.186 20 30 ECEDMO C#CCCOc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC)C2)cc1 ZINC001267293155 837146783 /nfs/dbraw/zinc/14/67/83/837146783.db2.gz MVWBBFRKUWFRMQ-HNNXBMFYSA-N 1 1 343.427 0.886 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)nc(C)c2)C1 ZINC001267295277 837150892 /nfs/dbraw/zinc/15/08/92/837150892.db2.gz SRJGGWSNRFLANR-HNNXBMFYSA-N 1 1 328.416 0.500 20 30 ECEDMO C#CCCCCCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267298967 837161082 /nfs/dbraw/zinc/16/10/82/837161082.db2.gz UNHNJWAKEZZESN-KGLIPLIRSA-N 1 1 336.436 0.592 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ncc(C)cc2C)C1 ZINC001267299471 837163917 /nfs/dbraw/zinc/16/39/17/837163917.db2.gz YIWXVFZHMDXPHB-HZPDHXFCSA-N 1 1 342.443 0.888 20 30 ECEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001267302312 837165896 /nfs/dbraw/zinc/16/58/96/837165896.db2.gz CGIAYNQIJOWDBE-HNNXBMFYSA-N 1 1 337.464 0.886 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001267302581 837167164 /nfs/dbraw/zinc/16/71/64/837167164.db2.gz GGQYRZMCJWNSJM-BHYGNILZSA-N 1 1 330.432 0.612 20 30 ECEDMO C#CCNC(=O)CN1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267302531 837167559 /nfs/dbraw/zinc/16/75/59/837167559.db2.gz FPPRHHQKEUQIQF-OAHLLOKOSA-N 1 1 336.480 0.152 20 30 ECEDMO C#CCNC(=O)CN1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267302531 837167563 /nfs/dbraw/zinc/16/75/63/837167563.db2.gz FPPRHHQKEUQIQF-OAHLLOKOSA-N 1 1 336.480 0.152 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001267302564 837167999 /nfs/dbraw/zinc/16/79/99/837167999.db2.gz GFMFKVTXIYHTFV-AWEZNQCLSA-N 1 1 346.431 0.743 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cncc(OC)n2)C1 ZINC001267302032 837168493 /nfs/dbraw/zinc/16/84/93/837168493.db2.gz AGQHWUCEQCGFPG-STQMWFEESA-N 1 1 347.419 0.228 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001267304141 837171088 /nfs/dbraw/zinc/17/10/88/837171088.db2.gz FKOPPVVMTQTZIC-LSDHHAIUSA-N 1 1 345.447 0.401 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001267303939 837171705 /nfs/dbraw/zinc/17/17/05/837171705.db2.gz UDTWVWPHZWMDCG-GJZGRUSLSA-N 1 1 348.451 0.266 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CCc2nccs2)C1 ZINC001267309807 837185240 /nfs/dbraw/zinc/18/52/40/837185240.db2.gz OJHYYEDUGWOXEI-KBPBESRZSA-N 1 1 348.472 0.652 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)c1cncc(C#C)c1 ZINC001267317243 837192754 /nfs/dbraw/zinc/19/27/54/837192754.db2.gz SPRHPHIASPQTET-HNNXBMFYSA-N 1 1 340.427 0.643 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)[C@]1(F)CCOC1 ZINC001267317078 837193664 /nfs/dbraw/zinc/19/36/64/837193664.db2.gz NNRPSNMJONDUIA-BBRMVZONSA-N 1 1 327.400 0.081 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCNC(=O)C#CC(C)C)C1CC1 ZINC001267324987 837203720 /nfs/dbraw/zinc/20/37/20/837203720.db2.gz ALOJBFZPXZZCQP-AWEZNQCLSA-N 1 1 348.447 0.627 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CCNC(=O)C#CC(C)C)C1CC1 ZINC001267324987 837203726 /nfs/dbraw/zinc/20/37/26/837203726.db2.gz ALOJBFZPXZZCQP-AWEZNQCLSA-N 1 1 348.447 0.627 20 30 ECEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001267337753 837222635 /nfs/dbraw/zinc/22/26/35/837222635.db2.gz HWEZXJGPRQYCQU-GXTWGEPZSA-N 1 1 329.466 0.613 20 30 ECEDMO COCC#CC[N@@H+](CCCNC(=O)c1cn(C)c(=O)n1C)C(C)C ZINC001267340098 837224195 /nfs/dbraw/zinc/22/41/95/837224195.db2.gz CNUFSRZQAJASDF-UHFFFAOYSA-N 1 1 336.436 0.204 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1[nH]cnc1C)c1ccccc1 ZINC001267382935 837310432 /nfs/dbraw/zinc/31/04/32/837310432.db2.gz VZOVFVRDIFGOSY-OAHLLOKOSA-N 1 1 339.399 0.528 20 30 ECEDMO CCCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267581715 837845379 /nfs/dbraw/zinc/84/53/79/837845379.db2.gz RWHJIBJGZJDFKC-HNNXBMFYSA-N 1 1 348.447 0.416 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001267582465 837848870 /nfs/dbraw/zinc/84/88/70/837848870.db2.gz IUBUNHHHAKIJCL-UONOGXRCSA-N 1 1 331.482 0.671 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267585160 837858953 /nfs/dbraw/zinc/85/89/53/837858953.db2.gz PJJQRABUJRIZPD-CQSZACIVSA-N 1 1 345.447 0.044 20 30 ECEDMO CCN1CCOC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC#CCOC)C1 ZINC001267586762 837864256 /nfs/dbraw/zinc/86/42/56/837864256.db2.gz ZCLWJAFWLJTMAD-IAGOWNOFSA-N 1 1 337.464 0.137 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(OC)n2)C1 ZINC001267591931 837883574 /nfs/dbraw/zinc/88/35/74/837883574.db2.gz LGXJLXGNTPFJQS-AWEZNQCLSA-N 1 1 344.415 0.234 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC001267593211 837889571 /nfs/dbraw/zinc/88/95/71/837889571.db2.gz FMOUXZXXSMTWAY-LBPRGKRZSA-N 1 1 349.822 0.769 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H]2CC[N@@H+](Cc3ncnn3C)C2)nc1 ZINC001267594280 837895083 /nfs/dbraw/zinc/89/50/83/837895083.db2.gz CHTVQNVPSUZSJA-HNNXBMFYSA-N 1 1 338.415 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H]2CC[N@H+](Cc3ncnn3C)C2)nc1 ZINC001267594280 837895090 /nfs/dbraw/zinc/89/50/90/837895090.db2.gz CHTVQNVPSUZSJA-HNNXBMFYSA-N 1 1 338.415 0.833 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)c2cnon2)CC1 ZINC001267602636 837926860 /nfs/dbraw/zinc/92/68/60/837926860.db2.gz ICBXCMCXTYUCHT-GFCCVEGCSA-N 1 1 335.408 0.544 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(C[N@H+](C)C[C@H](O)COC)CC2)c1 ZINC001267602667 837928008 /nfs/dbraw/zinc/92/80/08/837928008.db2.gz DIYQUIQEXSUZTM-SFHVURJKSA-N 1 1 345.443 0.854 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cnn3ccncc23)CC1 ZINC001267607892 837952392 /nfs/dbraw/zinc/95/23/92/837952392.db2.gz ZMQMFZNBRZBBEE-UHFFFAOYSA-N 1 1 326.404 0.052 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)c2ccnc(OC)n2)CC1 ZINC001267608913 837964759 /nfs/dbraw/zinc/96/47/59/837964759.db2.gz HSAAODAICXANNP-UHFFFAOYSA-N 1 1 331.420 0.198 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3c2nnn3C)C1 ZINC001267618550 838052516 /nfs/dbraw/zinc/05/25/16/838052516.db2.gz QQJFGHPEZSWVIJ-CYBMUJFWSA-N 1 1 344.419 0.760 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001267619288 838055663 /nfs/dbraw/zinc/05/56/63/838055663.db2.gz FXXMYSKVMQKHLN-UKRRQHHQSA-N 1 1 342.443 0.836 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001267619288 838055678 /nfs/dbraw/zinc/05/56/78/838055678.db2.gz FXXMYSKVMQKHLN-UKRRQHHQSA-N 1 1 342.443 0.836 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCCOC(C)C)C1 ZINC001267621538 838061338 /nfs/dbraw/zinc/06/13/38/838061338.db2.gz XCXYSFLKNOHVNB-JKSUJKDBSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCOC(C)C)C1 ZINC001267621538 838061351 /nfs/dbraw/zinc/06/13/51/838061351.db2.gz XCXYSFLKNOHVNB-JKSUJKDBSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)nn2C)C1 ZINC001267631796 838094829 /nfs/dbraw/zinc/09/48/29/838094829.db2.gz IKAKBSRSMOVSOV-HUUCEWRRSA-N 1 1 345.447 0.260 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001267638628 838116715 /nfs/dbraw/zinc/11/67/15/838116715.db2.gz PBPYLXYLWXAJFY-MRXNPFEDSA-N 1 1 325.453 0.302 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC001267639061 838118016 /nfs/dbraw/zinc/11/80/16/838118016.db2.gz XPILOWJKUGCVBT-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)COc2cc(C)on2)C1 ZINC001267657687 838172109 /nfs/dbraw/zinc/17/21/09/838172109.db2.gz CDZISDBUAMHKIX-OAHLLOKOSA-N 1 1 335.404 0.792 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001267665815 838189913 /nfs/dbraw/zinc/18/99/13/838189913.db2.gz LZZXFDQUSKJFQJ-HNNXBMFYSA-N 1 1 348.447 0.860 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001267665897 838191329 /nfs/dbraw/zinc/19/13/29/838191329.db2.gz NHFWHJMTVRRJCI-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267680211 838238170 /nfs/dbraw/zinc/23/81/70/838238170.db2.gz ZFHSUMXHGIRHKU-INIZCTEOSA-N 1 1 336.480 0.553 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)CCc3ccnn3C)C2)C1=O ZINC001267683187 838243964 /nfs/dbraw/zinc/24/39/64/838243964.db2.gz IXNGAHJYCXKTND-MRXNPFEDSA-N 1 1 345.447 0.188 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ocnc2C2CC2)C1 ZINC001267685178 838247591 /nfs/dbraw/zinc/24/75/91/838247591.db2.gz ZVQBRYOIXYKRDK-ZDUSSCGKSA-N 1 1 344.415 0.695 20 30 ECEDMO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)C1 ZINC001267690025 838259029 /nfs/dbraw/zinc/25/90/29/838259029.db2.gz KTLVGDPJSDNEEF-RDJZCZTQSA-N 1 1 337.464 0.577 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001267693938 838275582 /nfs/dbraw/zinc/27/55/82/838275582.db2.gz VYSWEGHYLXJDIB-UHFFFAOYSA-N 1 1 328.372 0.981 20 30 ECEDMO C=CCC1(C(=O)NCC2C[NH+]([C@H](C)C(=O)N(C)C)C2)CCOCC1 ZINC001267696971 838289197 /nfs/dbraw/zinc/28/91/97/838289197.db2.gz BWIKEUHPJLAUMD-CQSZACIVSA-N 1 1 337.464 0.884 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2nn(C)c3ccccc32)C1 ZINC001267697039 838289473 /nfs/dbraw/zinc/28/94/73/838289473.db2.gz CTEWYSCGNFJLLS-UHFFFAOYSA-N 1 1 326.400 0.885 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NC(C)C)C2)nc1 ZINC001267701867 838302143 /nfs/dbraw/zinc/30/21/43/838302143.db2.gz AMKSSINDXGVYII-INIZCTEOSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nnn(C(C)(C)C)n1 ZINC001267705725 838310740 /nfs/dbraw/zinc/31/07/40/838310740.db2.gz KVNMXNVAUZLDGD-STQMWFEESA-N 1 1 334.424 0.529 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nnn(C(C)(C)C)n1 ZINC001267705725 838310749 /nfs/dbraw/zinc/31/07/49/838310749.db2.gz KVNMXNVAUZLDGD-STQMWFEESA-N 1 1 334.424 0.529 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC001267707753 838311380 /nfs/dbraw/zinc/31/13/80/838311380.db2.gz GLAGADDJTYEOHH-OAHLLOKOSA-N 1 1 328.416 0.615 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CC2CCN(C(=O)COCC)CC2)C1=O ZINC001267714383 838342000 /nfs/dbraw/zinc/34/20/00/838342000.db2.gz FUTVELHXHRCNMB-MRXNPFEDSA-N 1 1 337.464 0.980 20 30 ECEDMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001267723215 838380181 /nfs/dbraw/zinc/38/01/81/838380181.db2.gz SKZRRUZXDPQDHO-INIZCTEOSA-N 1 1 331.391 0.894 20 30 ECEDMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001267723215 838380188 /nfs/dbraw/zinc/38/01/88/838380188.db2.gz SKZRRUZXDPQDHO-INIZCTEOSA-N 1 1 331.391 0.894 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(=O)NC)cc2)C1 ZINC001267724283 838385403 /nfs/dbraw/zinc/38/54/03/838385403.db2.gz SDRNFYKGGQDUPU-YOEHRIQHSA-N 1 1 343.427 0.775 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC001267733539 838425398 /nfs/dbraw/zinc/42/53/98/838425398.db2.gz SJVDDQBRJGNAQU-GOEBONIOSA-N 1 1 335.448 0.331 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)c2cnc(C)n2C)CC1 ZINC001267739693 838438471 /nfs/dbraw/zinc/43/84/71/838438471.db2.gz IKOAIFYFGNWCEE-UHFFFAOYSA-N 1 1 347.463 0.815 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001267746680 838452785 /nfs/dbraw/zinc/45/27/85/838452785.db2.gz QCCIQNMRDQZVJS-UONOGXRCSA-N 1 1 348.451 0.730 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001267746680 838452791 /nfs/dbraw/zinc/45/27/91/838452791.db2.gz QCCIQNMRDQZVJS-UONOGXRCSA-N 1 1 348.451 0.730 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(C)cc2)C1 ZINC001267766466 838500962 /nfs/dbraw/zinc/50/09/62/838500962.db2.gz BKVHSQJONSFCLO-KRWDZBQOSA-N 1 1 327.428 0.820 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(C)cc2)C1 ZINC001267766466 838500967 /nfs/dbraw/zinc/50/09/67/838500967.db2.gz BKVHSQJONSFCLO-KRWDZBQOSA-N 1 1 327.428 0.820 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)c2CC)C1 ZINC001267771668 838521941 /nfs/dbraw/zinc/52/19/41/838521941.db2.gz LENVNSWEUJJDLL-LSDHHAIUSA-N 1 1 344.459 0.872 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)c2CC)C1 ZINC001267771668 838521946 /nfs/dbraw/zinc/52/19/46/838521946.db2.gz LENVNSWEUJJDLL-LSDHHAIUSA-N 1 1 344.459 0.872 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn3ccccc23)C1 ZINC001267775367 838538613 /nfs/dbraw/zinc/53/86/13/838538613.db2.gz QRPBNCSJRXJIAP-CQSZACIVSA-N 1 1 341.415 0.783 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3ccccc23)C1 ZINC001267775367 838538618 /nfs/dbraw/zinc/53/86/18/838538618.db2.gz QRPBNCSJRXJIAP-CQSZACIVSA-N 1 1 341.415 0.783 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001267780217 838552786 /nfs/dbraw/zinc/55/27/86/838552786.db2.gz ZSSAWKWQYSFARZ-MRXNPFEDSA-N 1 1 347.463 0.840 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001267780217 838552790 /nfs/dbraw/zinc/55/27/90/838552790.db2.gz ZSSAWKWQYSFARZ-MRXNPFEDSA-N 1 1 347.463 0.840 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2cccs2)C1 ZINC001267780662 838554517 /nfs/dbraw/zinc/55/45/17/838554517.db2.gz SGIFXNBDJBGFIR-AWEZNQCLSA-N 1 1 333.457 0.963 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2cccs2)C1 ZINC001267780662 838554524 /nfs/dbraw/zinc/55/45/24/838554524.db2.gz SGIFXNBDJBGFIR-AWEZNQCLSA-N 1 1 333.457 0.963 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001267784347 838559795 /nfs/dbraw/zinc/55/97/95/838559795.db2.gz OWEKIIDPTCYDRO-YJBOKZPZSA-N 1 1 337.464 0.859 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001267784347 838559799 /nfs/dbraw/zinc/55/97/99/838559799.db2.gz OWEKIIDPTCYDRO-YJBOKZPZSA-N 1 1 337.464 0.859 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CCCCO2)C1 ZINC001267785733 838560871 /nfs/dbraw/zinc/56/08/71/838560871.db2.gz QGDLMSWANIZHKO-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CCCCO2)C1 ZINC001267785733 838560879 /nfs/dbraw/zinc/56/08/79/838560879.db2.gz QGDLMSWANIZHKO-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCOCCC(=O)N(CC)[C@H]1CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001267786697 838566106 /nfs/dbraw/zinc/56/61/06/838566106.db2.gz OQQBWTVCANIADN-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CCc2cn[nH]c2)C1 ZINC001267788874 838568670 /nfs/dbraw/zinc/56/86/70/838568670.db2.gz AQXAEKYEGZFSOE-HNNXBMFYSA-N 1 1 331.420 0.015 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CCc2cn[nH]c2)C1 ZINC001267788874 838568674 /nfs/dbraw/zinc/56/86/74/838568674.db2.gz AQXAEKYEGZFSOE-HNNXBMFYSA-N 1 1 331.420 0.015 20 30 ECEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001267790717 838570775 /nfs/dbraw/zinc/57/07/75/838570775.db2.gz SEGXDZHHWXAWPL-CQSZACIVSA-N 1 1 336.436 0.769 20 30 ECEDMO CC(C)=CC[NH2+]Cc1cn(C2CN(C(=O)CSCC#N)C2)nn1 ZINC001105170217 838709878 /nfs/dbraw/zinc/70/98/78/838709878.db2.gz ZRFCWWRUMXKAQW-UHFFFAOYSA-N 1 1 334.449 0.974 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)c1cnsn1)CC2 ZINC001267972516 838902554 /nfs/dbraw/zinc/90/25/54/838902554.db2.gz JLAPAIMABZRYHV-UHFFFAOYSA-N 1 1 348.432 0.106 20 30 ECEDMO Cc1[nH]ccc1C(=O)N1CCC2(CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001267973183 838903858 /nfs/dbraw/zinc/90/38/58/838903858.db2.gz HLMQELNSVMQMJO-UHFFFAOYSA-N 1 1 343.431 0.891 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1ccc2cncn2c1C ZINC001267994195 838941380 /nfs/dbraw/zinc/94/13/80/838941380.db2.gz OUHDWFUZFBWSCT-CYBMUJFWSA-N 1 1 341.415 0.348 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)Cc2ccccc2)C1 ZINC001268028737 839043294 /nfs/dbraw/zinc/04/32/94/839043294.db2.gz MKVJFTDNUDPNAF-KRWDZBQOSA-N 1 1 345.443 0.738 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)Cc2ccccc2)C1 ZINC001268028737 839043303 /nfs/dbraw/zinc/04/33/03/839043303.db2.gz MKVJFTDNUDPNAF-KRWDZBQOSA-N 1 1 345.443 0.738 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)c1cnns1)CC2 ZINC001268042316 839187029 /nfs/dbraw/zinc/18/70/29/839187029.db2.gz ORCLFXNYRVKJHI-LBPRGKRZSA-N 1 1 349.460 0.767 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1CC(F)(F)F ZINC001268058348 839243528 /nfs/dbraw/zinc/24/35/28/839243528.db2.gz AOBABURLTXXGNT-LLVKDONJSA-N 1 1 346.357 0.975 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C(C)(C)C ZINC001268060323 839245333 /nfs/dbraw/zinc/24/53/33/839245333.db2.gz UZHBQPFOILIPML-LRDDRELGSA-N 1 1 338.456 0.692 20 30 ECEDMO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001268063170 839248279 /nfs/dbraw/zinc/24/82/79/839248279.db2.gz IENAOCXCDUEXJH-WMLDXEAASA-N 1 1 347.463 0.876 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[N@@H+](C[C@@H]3CCNC(=O)CC3)CC2)c[nH]1 ZINC000981006217 839315647 /nfs/dbraw/zinc/31/56/47/839315647.db2.gz OHCDHMHYLQLPIL-AWEZNQCLSA-N 1 1 343.431 0.951 20 30 ECEDMO CN(CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCS(=O)(=O)C1 ZINC000330081525 282335430 /nfs/dbraw/zinc/33/54/30/282335430.db2.gz JZIKKWHBUJFLFE-BFHYXJOUSA-N 1 1 329.466 0.689 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)N(CCC#N)CCOC ZINC000352513015 283342722 /nfs/dbraw/zinc/34/27/22/283342722.db2.gz UCFXLGQZEIUQTH-AWEZNQCLSA-N 1 1 332.470 0.557 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCCCCn2cc[nH+]c2C)C1=O ZINC000266128010 248115964 /nfs/dbraw/zinc/11/59/64/248115964.db2.gz ZKRSKLKLGMPDHG-UHFFFAOYSA-N 1 1 347.375 0.065 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267585186 251171626 /nfs/dbraw/zinc/17/16/26/251171626.db2.gz HJNAKIXJRUJIMJ-HZPDHXFCSA-N 1 1 325.453 0.200 20 30 ECEDMO COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000411925722 208172240 /nfs/dbraw/zinc/17/22/40/208172240.db2.gz ZOVNFKBGSDSPIH-DZGCQCFKSA-N 1 1 344.415 0.922 20 30 ECEDMO CC(C)C[C@H](CNC(=O)N1C[C@@H](O)C[C@H]1CO)[NH+]1CCOCC1 ZINC000331101794 254648448 /nfs/dbraw/zinc/64/84/48/254648448.db2.gz CIKWTVFVRXNEEC-ILXRZTDVSA-N 1 1 329.441 0.075 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000376271735 254753998 /nfs/dbraw/zinc/75/39/98/254753998.db2.gz DJQVMVAWULJXLH-INIZCTEOSA-N 1 1 343.431 0.838 20 30 ECEDMO C=CCC1(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCOCC1 ZINC000424734135 254781223 /nfs/dbraw/zinc/78/12/23/254781223.db2.gz TWGAXFKMRILTOV-UHFFFAOYSA-N 1 1 337.464 0.982 20 30 ECEDMO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000441245705 254799488 /nfs/dbraw/zinc/79/94/88/254799488.db2.gz NLZOQXIONZCPFC-HOCLYGCPSA-N 1 1 325.409 0.287 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC3(COC(=O)N3)CC2)cc1 ZINC000495292912 255002537 /nfs/dbraw/zinc/00/25/37/255002537.db2.gz XRLJXZAMGCKSJI-UHFFFAOYSA-N 1 1 328.372 0.749 20 30 ECEDMO CC(N=NC1=[NH+]CCN1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496971835 255146713 /nfs/dbraw/zinc/14/67/13/255146713.db2.gz CDDYZOUTNIOMAZ-HNNXBMFYSA-N 1 1 345.403 0.949 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCCNC2=O)CC1 ZINC000329811849 285320179 /nfs/dbraw/zinc/32/01/79/285320179.db2.gz RTIIPNLZAGWNAX-ZIAGYGMSSA-N 1 1 325.457 0.883 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000253355719 165207667 /nfs/dbraw/zinc/20/76/67/165207667.db2.gz GLVCRWIOSHUGDW-CABCVRRESA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000253355719 165207671 /nfs/dbraw/zinc/20/76/71/165207671.db2.gz GLVCRWIOSHUGDW-CABCVRRESA-N 1 1 330.436 0.579 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001077962668 782021766 /nfs/dbraw/zinc/02/17/66/782021766.db2.gz PHNTZOPLTOCBFV-VXGBXAGGSA-N 1 1 326.828 0.987 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001077962668 782021770 /nfs/dbraw/zinc/02/17/70/782021770.db2.gz PHNTZOPLTOCBFV-VXGBXAGGSA-N 1 1 326.828 0.987 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001077966743 782033225 /nfs/dbraw/zinc/03/32/25/782033225.db2.gz FWHLIOVLZMLWQG-HZPDHXFCSA-N 1 1 345.403 0.661 20 30 ECEDMO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC[N@@H+]1C ZINC000488629421 421222716 /nfs/dbraw/zinc/22/27/16/421222716.db2.gz LYGPRNRNELAJJZ-CYBMUJFWSA-N 1 1 332.408 0.534 20 30 ECEDMO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC[N@H+]1C ZINC000488629421 421222717 /nfs/dbraw/zinc/22/27/17/421222717.db2.gz LYGPRNRNELAJJZ-CYBMUJFWSA-N 1 1 332.408 0.534 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000283975582 264176001 /nfs/dbraw/zinc/17/60/01/264176001.db2.gz LTXHSFFGLVGNDQ-CQSZACIVSA-N 1 1 346.431 0.820 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000284849391 264246606 /nfs/dbraw/zinc/24/66/06/264246606.db2.gz CDKKGIRLKPTEDE-GJZGRUSLSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000284849391 264246608 /nfs/dbraw/zinc/24/66/08/264246608.db2.gz CDKKGIRLKPTEDE-GJZGRUSLSA-N 1 1 335.429 0.960 20 30 ECEDMO N#Cc1ccc(CN2CCCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000333844895 270005864 /nfs/dbraw/zinc/00/58/64/270005864.db2.gz OZJBGJVHGWWIQP-PIIMJCKOSA-N 1 1 339.443 0.993 20 30 ECEDMO N#Cc1cccnc1N1CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000363613297 270007251 /nfs/dbraw/zinc/00/72/51/270007251.db2.gz LAAXFYJYQPAPBO-QGZVFWFLSA-N 1 1 345.447 0.158 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528423748 270008191 /nfs/dbraw/zinc/00/81/91/270008191.db2.gz KIWNQAXYNPCKRP-INIZCTEOSA-N 1 1 341.415 0.854 20 30 ECEDMO CCC(CC)[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000342504232 266006775 /nfs/dbraw/zinc/00/67/75/266006775.db2.gz CVXUPVCJHUNYAY-HIFRSBDPSA-N 1 1 348.451 0.964 20 30 ECEDMO CCN1C(=O)[C@@H]2C[N@H+](Cc3cnc4ccc(C#N)cn34)CCN2C1=O ZINC000378368573 266141464 /nfs/dbraw/zinc/14/14/64/266141464.db2.gz HBAVGYUONQSOLJ-AWEZNQCLSA-N 1 1 338.371 0.674 20 30 ECEDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cnc4ccc(C#N)cn34)CCN2C1=O ZINC000378368573 266141466 /nfs/dbraw/zinc/14/14/66/266141466.db2.gz HBAVGYUONQSOLJ-AWEZNQCLSA-N 1 1 338.371 0.674 20 30 ECEDMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370740123 266165219 /nfs/dbraw/zinc/16/52/19/266165219.db2.gz RBAIUKUSSKFDRG-YPMHNXCESA-N 1 1 331.376 0.641 20 30 ECEDMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370740123 266165224 /nfs/dbraw/zinc/16/52/24/266165224.db2.gz RBAIUKUSSKFDRG-YPMHNXCESA-N 1 1 331.376 0.641 20 30 ECEDMO C[C@@H]1CN(C(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)C[C@@H](C)O1 ZINC000373402528 267037688 /nfs/dbraw/zinc/03/76/88/267037688.db2.gz BIFZOGUZZZNEAA-CHWSQXEVSA-N 1 1 332.408 0.422 20 30 ECEDMO C[C@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)N1CC[NH+](C)CC1 ZINC000293663995 267128591 /nfs/dbraw/zinc/12/85/91/267128591.db2.gz HXUFODIXTMFKMO-GDBMZVCRSA-N 1 1 343.431 0.569 20 30 ECEDMO Cc1cc(S(=O)(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1C#N ZINC000365219707 267353988 /nfs/dbraw/zinc/35/39/88/267353988.db2.gz KNYNNPDSSGESEM-AWEZNQCLSA-N 1 1 337.445 0.944 20 30 ECEDMO Cc1cc(S(=O)(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)ccc1C#N ZINC000365219707 267353992 /nfs/dbraw/zinc/35/39/92/267353992.db2.gz KNYNNPDSSGESEM-AWEZNQCLSA-N 1 1 337.445 0.944 20 30 ECEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366427050 268099728 /nfs/dbraw/zinc/09/97/28/268099728.db2.gz HNCXXVVNPRTLRQ-NEPJUHHUSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366427050 268099731 /nfs/dbraw/zinc/09/97/31/268099731.db2.gz HNCXXVVNPRTLRQ-NEPJUHHUSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000370262663 268138000 /nfs/dbraw/zinc/13/80/00/268138000.db2.gz RVJSSBBCDOIHBO-CQSZACIVSA-N 1 1 336.417 0.640 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C2)nc1 ZINC000292274935 268184867 /nfs/dbraw/zinc/18/48/67/268184867.db2.gz SMBRCWQRJHQQQH-ZDUSSCGKSA-N 1 1 329.360 0.348 20 30 ECEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)CN3CCOCC3)C2)nc1 ZINC000366374288 268185362 /nfs/dbraw/zinc/18/53/62/268185362.db2.gz HMVCYRRKGBVRAG-CVEARBPZSA-N 1 1 332.404 0.099 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000284118404 268250087 /nfs/dbraw/zinc/25/00/87/268250087.db2.gz VEURUKYZKUYQES-OAHLLOKOSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000528432479 268297663 /nfs/dbraw/zinc/29/76/63/268297663.db2.gz ZYWQXEKYOLAFMM-HOTGVXAUSA-N 1 1 329.400 0.995 20 30 ECEDMO N#Cc1cncn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000289284491 268315475 /nfs/dbraw/zinc/31/54/75/268315475.db2.gz AGOORRNCBGQZAW-UHFFFAOYSA-N 1 1 337.383 0.459 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(C(=O)NCC(=O)NCC#N)C[C@@H]2[C@@H]1c1ccccc1 ZINC000377065846 277196613 /nfs/dbraw/zinc/19/66/13/277196613.db2.gz HLXDRNPJOUXBEI-VYDXJSESSA-N 1 1 341.415 0.570 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)N(CCC#N)CCC#N ZINC000189418580 437598439 /nfs/dbraw/zinc/59/84/39/437598439.db2.gz XPMNWXAAJUSKNS-OAHLLOKOSA-N 1 1 335.452 0.419 20 30 ECEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000337171948 278258237 /nfs/dbraw/zinc/25/82/37/278258237.db2.gz GGKJBYCJGPLNBP-HZSPNIEDSA-N 1 1 330.454 0.166 20 30 ECEDMO C=CC[N@H+](CC(=O)NC(N)=O)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343573602 437605676 /nfs/dbraw/zinc/60/56/76/437605676.db2.gz PVQYWRONIGORPI-LLVKDONJSA-N 1 1 329.364 0.406 20 30 ECEDMO C=CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343573602 437605680 /nfs/dbraw/zinc/60/56/80/437605680.db2.gz PVQYWRONIGORPI-LLVKDONJSA-N 1 1 329.364 0.406 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cnc(N(C)C)cn2)CC1 ZINC000330745715 437605177 /nfs/dbraw/zinc/60/51/77/437605177.db2.gz FFLQSUXXMNNSQV-UHFFFAOYSA-N 1 1 334.424 0.400 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041721244 782052783 /nfs/dbraw/zinc/05/27/83/782052783.db2.gz MNPKUISXMVNTPS-ZBFHGGJFSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041721244 782052793 /nfs/dbraw/zinc/05/27/93/782052793.db2.gz MNPKUISXMVNTPS-ZBFHGGJFSA-N 1 1 326.462 0.922 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000330370931 289238191 /nfs/dbraw/zinc/23/81/91/289238191.db2.gz HCJSCHSBHBBYTF-MGPQQGTHSA-N 1 1 332.470 0.412 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CSCN1C(=O)C1CCC1 ZINC000329363436 290035648 /nfs/dbraw/zinc/03/56/48/290035648.db2.gz JFHUVBAJKAGZRH-ZIAGYGMSSA-N 1 1 340.493 0.890 20 30 ECEDMO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CCCCS3(=O)=O)C2)C1 ZINC000330234321 290246246 /nfs/dbraw/zinc/24/62/46/290246246.db2.gz YIUADWLVWVXTOR-HIFRSBDPSA-N 1 1 329.466 0.895 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000337946780 298273753 /nfs/dbraw/zinc/27/37/53/298273753.db2.gz PPMNIMFYKWOEGI-CQSZACIVSA-N 1 1 345.513 0.423 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000337946780 298273756 /nfs/dbraw/zinc/27/37/56/298273756.db2.gz PPMNIMFYKWOEGI-CQSZACIVSA-N 1 1 345.513 0.423 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)C1CC1 ZINC000009983047 436036819 /nfs/dbraw/zinc/03/68/19/436036819.db2.gz ZKGFABZCTZYMCI-KSSFIOAISA-N 1 1 348.447 0.366 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1)C1CC1 ZINC000072563329 436049588 /nfs/dbraw/zinc/04/95/88/436049588.db2.gz FQFGXXHXCKBHDG-SFHVURJKSA-N 1 1 348.447 0.366 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c1 ZINC000072632829 436049707 /nfs/dbraw/zinc/04/97/07/436049707.db2.gz HYHFBABFBWQXMZ-AWEZNQCLSA-N 1 1 336.417 0.640 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(/C=N/OC)cc2)CC1 ZINC000025229817 436147377 /nfs/dbraw/zinc/14/73/77/436147377.db2.gz CONGKEQXZWNTGE-YBFXNURJSA-N 1 1 332.404 0.607 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000029932820 436212662 /nfs/dbraw/zinc/21/26/62/436212662.db2.gz TWVAIFFBWWMPEG-LBPRGKRZSA-N 1 1 332.404 0.878 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000029932820 436212668 /nfs/dbraw/zinc/21/26/68/436212668.db2.gz TWVAIFFBWWMPEG-LBPRGKRZSA-N 1 1 332.404 0.878 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(C#N)cn1C ZINC000081729936 436354034 /nfs/dbraw/zinc/35/40/34/436354034.db2.gz GEYSJDLBPVDJCX-AWEZNQCLSA-N 1 1 331.420 0.569 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000079983418 436310762 /nfs/dbraw/zinc/31/07/62/436310762.db2.gz ZBRQTVUOSOMUMA-CYBMUJFWSA-N 1 1 330.454 0.010 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000079983418 436310764 /nfs/dbraw/zinc/31/07/64/436310764.db2.gz ZBRQTVUOSOMUMA-CYBMUJFWSA-N 1 1 330.454 0.010 20 30 ECEDMO CN(CC(=O)Nc1sccc1C#N)C[C@@H](O)C[NH+]1CCOCC1 ZINC000083245010 436371119 /nfs/dbraw/zinc/37/11/19/436371119.db2.gz PWJBPDJAQIYPML-CYBMUJFWSA-N 1 1 338.433 0.183 20 30 ECEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000047011153 436408073 /nfs/dbraw/zinc/40/80/73/436408073.db2.gz PHOMCBXVQSOSQC-INIZCTEOSA-N 1 1 349.456 0.883 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000089943448 436420980 /nfs/dbraw/zinc/42/09/80/436420980.db2.gz QIDQGJWPBSKQGU-OAHLLOKOSA-N 1 1 337.387 0.826 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000104188383 436557974 /nfs/dbraw/zinc/55/79/74/436557974.db2.gz NBPKSWRJDNNFBG-CYBMUJFWSA-N 1 1 337.445 0.832 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000108865493 436621561 /nfs/dbraw/zinc/62/15/61/436621561.db2.gz XUDLJTYNPNNHKA-GOSISDBHSA-N 1 1 342.487 0.874 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000115581051 436647789 /nfs/dbraw/zinc/64/77/89/436647789.db2.gz BAWKAPDERBSYTK-UHFFFAOYSA-N 1 1 340.453 0.018 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000115581051 436647790 /nfs/dbraw/zinc/64/77/90/436647790.db2.gz BAWKAPDERBSYTK-UHFFFAOYSA-N 1 1 340.453 0.018 20 30 ECEDMO C=CC1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000114603002 436642741 /nfs/dbraw/zinc/64/27/41/436642741.db2.gz GPDLWVTVHZSRQD-UHFFFAOYSA-N 1 1 338.496 0.984 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1OC ZINC000546005274 302242692 /nfs/dbraw/zinc/24/26/92/302242692.db2.gz ICMQOZOFINGTMD-UHFFFAOYSA-N 1 1 348.403 0.590 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000551705571 302361270 /nfs/dbraw/zinc/36/12/70/302361270.db2.gz CJCOJZRRICTRGF-AWEZNQCLSA-N 1 1 344.415 0.606 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1 ZINC000120432159 436688520 /nfs/dbraw/zinc/68/85/20/436688520.db2.gz ARCQNBXGSLXZTA-HOTGVXAUSA-N 1 1 335.429 0.748 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1 ZINC000120432159 436688525 /nfs/dbraw/zinc/68/85/25/436688525.db2.gz ARCQNBXGSLXZTA-HOTGVXAUSA-N 1 1 335.429 0.748 20 30 ECEDMO CCC[NH+]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 ZINC000120445324 436688688 /nfs/dbraw/zinc/68/86/88/436688688.db2.gz SUDOUZBNDZZMGU-UHFFFAOYSA-N 1 1 332.408 0.828 20 30 ECEDMO C=CCNC(=O)CN(C)[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)NCC=C ZINC000272310121 436710329 /nfs/dbraw/zinc/71/03/29/436710329.db2.gz ITGDJBLFCNNTPN-IYBDPMFKSA-N 1 1 336.480 0.766 20 30 ECEDMO C=CCNC(=O)CN(C)[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NCC=C ZINC000272310121 436710332 /nfs/dbraw/zinc/71/03/32/436710332.db2.gz ITGDJBLFCNNTPN-IYBDPMFKSA-N 1 1 336.480 0.766 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 ZINC000269758520 436668388 /nfs/dbraw/zinc/66/83/88/436668388.db2.gz GDJBLYUDUASFMK-AWEZNQCLSA-N 1 1 340.449 0.773 20 30 ECEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000194922051 436673820 /nfs/dbraw/zinc/67/38/20/436673820.db2.gz SCKCMMQXQITJBM-MELADBBJSA-N 1 1 342.399 0.936 20 30 ECEDMO C#CC[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C1CCCCC1 ZINC000065960494 436675353 /nfs/dbraw/zinc/67/53/53/436675353.db2.gz CUDOIYAPQDKAQV-UHFFFAOYSA-N 1 1 344.415 0.904 20 30 ECEDMO C#CC[N@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C1CCCCC1 ZINC000065960494 436675357 /nfs/dbraw/zinc/67/53/57/436675357.db2.gz CUDOIYAPQDKAQV-UHFFFAOYSA-N 1 1 344.415 0.904 20 30 ECEDMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437748 436685102 /nfs/dbraw/zinc/68/51/02/436685102.db2.gz CMQGIVUQJMWVPI-CYBMUJFWSA-N 1 1 344.419 0.700 20 30 ECEDMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437748 436685106 /nfs/dbraw/zinc/68/51/06/436685106.db2.gz CMQGIVUQJMWVPI-CYBMUJFWSA-N 1 1 344.419 0.700 20 30 ECEDMO C=CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000121554533 436719668 /nfs/dbraw/zinc/71/96/68/436719668.db2.gz DCRJEHNSKSTZQU-UHFFFAOYSA-N 1 1 337.445 0.637 20 30 ECEDMO C=CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000121554533 436719671 /nfs/dbraw/zinc/71/96/71/436719671.db2.gz DCRJEHNSKSTZQU-UHFFFAOYSA-N 1 1 337.445 0.637 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000122317650 436732993 /nfs/dbraw/zinc/73/29/93/436732993.db2.gz DHOUPDWIOQYOSE-ZIAGYGMSSA-N 1 1 344.419 0.678 20 30 ECEDMO C=CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000124429095 436749507 /nfs/dbraw/zinc/74/95/07/436749507.db2.gz JIIJOCFEPYBLPE-UHFFFAOYSA-N 1 1 344.415 0.244 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000153153659 436751607 /nfs/dbraw/zinc/75/16/07/436751607.db2.gz CQKVTDDNPPREHL-HNNXBMFYSA-N 1 1 327.388 0.332 20 30 ECEDMO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153273181 436753449 /nfs/dbraw/zinc/75/34/49/436753449.db2.gz PUTHHRFPMXJCMX-NWDGAFQWSA-N 1 1 334.424 0.412 20 30 ECEDMO CN1CC[NH+](CCCCNS(=O)(=O)c2ccccc2C#N)CC1 ZINC000127383013 436801276 /nfs/dbraw/zinc/80/12/76/436801276.db2.gz BASXNVHZVQIOOI-UHFFFAOYSA-N 1 1 336.461 0.864 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000159066134 436854641 /nfs/dbraw/zinc/85/46/41/436854641.db2.gz BNIIALZZRXIKLG-LBPRGKRZSA-N 1 1 332.408 0.804 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000159066134 436854644 /nfs/dbraw/zinc/85/46/44/436854644.db2.gz BNIIALZZRXIKLG-LBPRGKRZSA-N 1 1 332.408 0.804 20 30 ECEDMO CCc1nsc(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)n1 ZINC000131735537 436857333 /nfs/dbraw/zinc/85/73/33/436857333.db2.gz CWLLREKGDHNFJM-UHFFFAOYSA-N 1 1 336.465 0.985 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000274428379 436825339 /nfs/dbraw/zinc/82/53/39/436825339.db2.gz JKNXSQDMMOSIGU-ZDUSSCGKSA-N 1 1 348.403 0.346 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000274437067 436826085 /nfs/dbraw/zinc/82/60/85/436826085.db2.gz KUXFTAJAVWCQPT-UHFFFAOYSA-N 1 1 338.795 0.581 20 30 ECEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCS(C)(=O)=O ZINC000129876391 436831499 /nfs/dbraw/zinc/83/14/99/436831499.db2.gz VVIARIAFHXGAEK-UHFFFAOYSA-N 1 1 337.445 0.883 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000293949106 436922486 /nfs/dbraw/zinc/92/24/86/436922486.db2.gz JUULPUAOMOVFTO-AWEZNQCLSA-N 1 1 326.404 0.972 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000293529640 436884987 /nfs/dbraw/zinc/88/49/87/436884987.db2.gz ZUDIFLSVZZGGFV-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000134347511 436896101 /nfs/dbraw/zinc/89/61/01/436896101.db2.gz RASGCTZVRLBFEF-CVEARBPZSA-N 1 1 337.445 0.994 20 30 ECEDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000134347511 436896104 /nfs/dbraw/zinc/89/61/04/436896104.db2.gz RASGCTZVRLBFEF-CVEARBPZSA-N 1 1 337.445 0.994 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000293685663 436900419 /nfs/dbraw/zinc/90/04/19/436900419.db2.gz BKKKQKZTJGZGMZ-UHFFFAOYSA-N 1 1 337.445 0.622 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000293825961 436911249 /nfs/dbraw/zinc/91/12/49/436911249.db2.gz PJHNQAJBUMNANF-UHFFFAOYSA-N 1 1 341.389 0.837 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)CC1 ZINC000275394175 436963507 /nfs/dbraw/zinc/96/35/07/436963507.db2.gz RBBPHIYEOMXOKQ-RDJZCZTQSA-N 1 1 330.432 0.974 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000171211267 436972382 /nfs/dbraw/zinc/97/23/82/436972382.db2.gz ASGQHGKZWJYJQA-UHFFFAOYSA-N 1 1 345.447 0.968 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000294070689 436931941 /nfs/dbraw/zinc/93/19/41/436931941.db2.gz VUTHUWCYNSDVKC-UHFFFAOYSA-N 1 1 344.415 0.910 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000294080110 436932646 /nfs/dbraw/zinc/93/26/46/436932646.db2.gz WOMGHMARIZRLPT-SFHVURJKSA-N 1 1 342.399 0.426 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC2C[NH+](C(C)C)C2)c1 ZINC000275173471 436935992 /nfs/dbraw/zinc/93/59/92/436935992.db2.gz BALRGQYXZBMACB-UHFFFAOYSA-N 1 1 335.429 0.421 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCCCn1cc[nH+]c1C ZINC000282810873 437020807 /nfs/dbraw/zinc/02/08/07/437020807.db2.gz KWCQSLNJNZUGRJ-UHFFFAOYSA-N 1 1 329.426 0.278 20 30 ECEDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000275642896 436995162 /nfs/dbraw/zinc/99/51/62/436995162.db2.gz KOIAQQCOLNWIOC-GFCCVEGCSA-N 1 1 327.381 0.696 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000275642896 436995165 /nfs/dbraw/zinc/99/51/65/436995165.db2.gz KOIAQQCOLNWIOC-GFCCVEGCSA-N 1 1 327.381 0.696 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000298609203 437043763 /nfs/dbraw/zinc/04/37/63/437043763.db2.gz NYJVTDQLSOJGJK-UHFFFAOYSA-N 1 1 345.403 0.921 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000173736555 437062089 /nfs/dbraw/zinc/06/20/89/437062089.db2.gz CZNRMLNRCDZSQU-IRXDYDNUSA-N 1 1 328.416 0.726 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000173736555 437062094 /nfs/dbraw/zinc/06/20/94/437062094.db2.gz CZNRMLNRCDZSQU-IRXDYDNUSA-N 1 1 328.416 0.726 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 ZINC000299314446 437068925 /nfs/dbraw/zinc/06/89/25/437068925.db2.gz LDDYLFHPYVOWOD-NWDGAFQWSA-N 1 1 331.338 0.611 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 ZINC000285588370 437079792 /nfs/dbraw/zinc/07/97/92/437079792.db2.gz BTIXDLXUOBVLQM-HOTGVXAUSA-N 1 1 342.399 0.220 20 30 ECEDMO C[N@@H+](CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000264821045 437089700 /nfs/dbraw/zinc/08/97/00/437089700.db2.gz HNNHHJFWJKYZAW-UHFFFAOYSA-N 1 1 328.420 0.879 20 30 ECEDMO COc1cc(OC)c2ncc(C#N)c(N3CC[NH2+][C@@H](C(N)=O)C3)c2c1 ZINC000286034198 437086715 /nfs/dbraw/zinc/08/67/15/437086715.db2.gz GSKFWFCDFDOCJI-CYBMUJFWSA-N 1 1 341.371 0.387 20 30 ECEDMO CC[N@@H+](C)CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000264928076 437101428 /nfs/dbraw/zinc/10/14/28/437101428.db2.gz RQESHQDIYFSYJG-UHFFFAOYSA-N 1 1 338.433 0.560 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000299710815 437104527 /nfs/dbraw/zinc/10/45/27/437104527.db2.gz PNQFYAOQOREEMT-UHFFFAOYSA-N 1 1 326.356 0.822 20 30 ECEDMO Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)nn1CCC#N ZINC000331486233 437104982 /nfs/dbraw/zinc/10/49/82/437104982.db2.gz URVIRXNKHYKMAW-HNNXBMFYSA-N 1 1 346.435 1.291 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000176370595 437142763 /nfs/dbraw/zinc/14/27/63/437142763.db2.gz RPZDIGDHMOPPAS-KGLIPLIRSA-N 1 1 327.392 0.116 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175951203 437125495 /nfs/dbraw/zinc/12/54/95/437125495.db2.gz YIUUWADJZFGOAS-UHFFFAOYSA-N 1 1 336.367 0.720 20 30 ECEDMO Cc1nnc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(C#N)c1C ZINC000301804928 437129991 /nfs/dbraw/zinc/12/99/91/437129991.db2.gz DSAQKVFBBRTCPM-HNNXBMFYSA-N 1 1 328.420 0.884 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COCCOC(C)C ZINC000265881660 437205783 /nfs/dbraw/zinc/20/57/83/437205783.db2.gz YLVPHUDLECQUAB-KGLIPLIRSA-N 1 1 345.440 0.121 20 30 ECEDMO CC(=O)N1CCN(CCNC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000328797454 437265589 /nfs/dbraw/zinc/26/55/89/437265589.db2.gz FDDXBDLISZPVJX-CQSZACIVSA-N 1 1 328.482 0.544 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C)c2C#N)C1 ZINC000266719238 437233592 /nfs/dbraw/zinc/23/35/92/437233592.db2.gz ZJOFCCODAGCBBT-CYBMUJFWSA-N 1 1 330.388 0.642 20 30 ECEDMO C[C@H](NC(=O)CCN1CCCS1(=O)=O)[C@H](C)[NH+]1CCOCC1 ZINC000329080952 437314295 /nfs/dbraw/zinc/31/42/95/437314295.db2.gz CWJHQTWRLUGJIR-STQMWFEESA-N 1 1 333.454 0.478 20 30 ECEDMO C#CC[N@@H+](CC)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000267302084 437317349 /nfs/dbraw/zinc/31/73/49/437317349.db2.gz KIDKJPLDFWKWOW-UHFFFAOYSA-N 1 1 343.427 0.730 20 30 ECEDMO C#CC[N@H+](CC)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000267302084 437317353 /nfs/dbraw/zinc/31/73/53/437317353.db2.gz KIDKJPLDFWKWOW-UHFFFAOYSA-N 1 1 343.427 0.730 20 30 ECEDMO C[C@@H]1C[C@@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000329132514 437322887 /nfs/dbraw/zinc/32/28/87/437322887.db2.gz YKWNYNZSEGEFOV-KGLIPLIRSA-N 1 1 326.441 0.469 20 30 ECEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000266968356 437272375 /nfs/dbraw/zinc/27/23/75/437272375.db2.gz YUKQMVAUKRMVRC-CYBMUJFWSA-N 1 1 337.445 0.336 20 30 ECEDMO C#CC[N@H+](CC)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000266968356 437272379 /nfs/dbraw/zinc/27/23/79/437272379.db2.gz YUKQMVAUKRMVRC-CYBMUJFWSA-N 1 1 337.445 0.336 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)C1 ZINC000328902752 437282400 /nfs/dbraw/zinc/28/24/00/437282400.db2.gz GZCBLULOSVMGFM-OAGGEKHMSA-N 1 1 338.452 0.359 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)C1 ZINC000328902752 437282403 /nfs/dbraw/zinc/28/24/03/437282403.db2.gz GZCBLULOSVMGFM-OAGGEKHMSA-N 1 1 338.452 0.359 20 30 ECEDMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1COCCN1C ZINC000328918363 437283807 /nfs/dbraw/zinc/28/38/07/437283807.db2.gz AGOQCNBFNXMZSV-CVEARBPZSA-N 1 1 347.463 0.879 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001077981536 782066587 /nfs/dbraw/zinc/06/65/87/782066587.db2.gz ROUWMQWSVWRRNO-HUUCEWRRSA-N 1 1 333.388 0.211 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC(=O)N1CCCCC1 ZINC000328914098 437284515 /nfs/dbraw/zinc/28/45/15/437284515.db2.gz PZLNMNVYXCDMOC-CQSZACIVSA-N 1 1 325.457 0.138 20 30 ECEDMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000329132759 437322228 /nfs/dbraw/zinc/32/22/28/437322228.db2.gz YMLWAOWXJSHJQL-MCIONIFRSA-N 1 1 344.481 0.541 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CCn2cccn2)CC1 ZINC000180645608 437297535 /nfs/dbraw/zinc/29/75/35/437297535.db2.gz BPWITOFGWONZPS-INIZCTEOSA-N 1 1 332.452 0.507 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCn2cccn2)CC1 ZINC000180645608 437297539 /nfs/dbraw/zinc/29/75/39/437297539.db2.gz BPWITOFGWONZPS-INIZCTEOSA-N 1 1 332.452 0.507 20 30 ECEDMO C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329261322 437343012 /nfs/dbraw/zinc/34/30/12/437343012.db2.gz AXEDWKAYUHLJNE-LBPRGKRZSA-N 1 1 344.481 0.564 20 30 ECEDMO CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000329318554 437350930 /nfs/dbraw/zinc/35/09/30/437350930.db2.gz SUNGCZDUNWMJTP-CYBMUJFWSA-N 1 1 344.481 0.518 20 30 ECEDMO C[C@@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C1=CC[N@@H+](C)CC1 ZINC000329345642 437355934 /nfs/dbraw/zinc/35/59/34/437355934.db2.gz QZZHXYDJGNSYER-TZMCWYRMSA-N 1 1 344.481 0.564 20 30 ECEDMO C[C@H](C(=O)N(C)CC(=O)NC[C@H]1C[N@@H+](C)CCN1C)n1cccn1 ZINC000329389512 437361893 /nfs/dbraw/zinc/36/18/93/437361893.db2.gz UMZDYPLMNYZMGE-KGLIPLIRSA-N 1 1 336.440 0.105 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@H]3COC[C@H]3n3ccnn3)CC[C@H]21 ZINC000329388501 437362494 /nfs/dbraw/zinc/36/24/94/437362494.db2.gz RJAVRWUKQWZKSU-LXTVHRRPSA-N 1 1 334.424 0.548 20 30 ECEDMO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3COC[C@H]3n3ccnn3)CC[C@H]21 ZINC000329388501 437362496 /nfs/dbraw/zinc/36/24/96/437362496.db2.gz RJAVRWUKQWZKSU-LXTVHRRPSA-N 1 1 334.424 0.548 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3COC[C@H]3n3ccnn3)CC[C@H]21 ZINC000329388501 437362499 /nfs/dbraw/zinc/36/24/99/437362499.db2.gz RJAVRWUKQWZKSU-LXTVHRRPSA-N 1 1 334.424 0.548 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000268125026 437369556 /nfs/dbraw/zinc/36/95/56/437369556.db2.gz RTOYYSANKYMFBI-CYBMUJFWSA-N 1 1 343.435 0.663 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000329450291 437371738 /nfs/dbraw/zinc/37/17/38/437371738.db2.gz LLWJGJGQFJUMQU-GFCCVEGCSA-N 1 1 332.408 0.961 20 30 ECEDMO Cc1cccc2c(=O)n(CC(=O)NC[C@@H]3C[N@H+](C)CCN3C)cnc12 ZINC000329480337 437375010 /nfs/dbraw/zinc/37/50/10/437375010.db2.gz PFXBAGDUQZBTNZ-CQSZACIVSA-N 1 1 343.431 0.907 20 30 ECEDMO Cc1nc(Cn2nnc(NC(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)c2C)no1 ZINC000329141416 437324451 /nfs/dbraw/zinc/32/44/51/437324451.db2.gz UGRIGQTUFYFVFM-UWVGGRQHSA-N 1 1 348.411 0.896 20 30 ECEDMO COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@H]1C ZINC000329162609 437329151 /nfs/dbraw/zinc/32/91/51/437329151.db2.gz ZRUAGRXMPHGKEG-BFYDXBDKSA-N 1 1 341.452 0.891 20 30 ECEDMO COCC[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@H]1C ZINC000329162609 437329152 /nfs/dbraw/zinc/32/91/52/437329152.db2.gz ZRUAGRXMPHGKEG-BFYDXBDKSA-N 1 1 341.452 0.891 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000337128487 437335132 /nfs/dbraw/zinc/33/51/32/437335132.db2.gz AQZGAAODJCEOAZ-HNNXBMFYSA-N 1 1 344.481 0.700 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000183174023 437376376 /nfs/dbraw/zinc/37/63/76/437376376.db2.gz XMSXDHASIIGYJY-HUUCEWRRSA-N 1 1 348.472 0.914 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CCCSC2)CC1 ZINC000329241089 437338770 /nfs/dbraw/zinc/33/87/70/437338770.db2.gz NEKNOOYEBHZEHQ-ZDUSSCGKSA-N 1 1 328.482 0.797 20 30 ECEDMO C[C@@H]1C[C@H](CCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000329730297 437405033 /nfs/dbraw/zinc/40/50/33/437405033.db2.gz GDVZZMVAPSYZMT-HUUCEWRRSA-N 1 1 340.468 0.859 20 30 ECEDMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000329773494 437411020 /nfs/dbraw/zinc/41/10/20/437411020.db2.gz LLWVCGOWHDUMIB-CYBMUJFWSA-N 1 1 347.481 0.520 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000329773494 437411023 /nfs/dbraw/zinc/41/10/23/437411023.db2.gz LLWVCGOWHDUMIB-CYBMUJFWSA-N 1 1 347.481 0.520 20 30 ECEDMO Cc1nsc(N2CC[NH+](CCC(=O)N3CCOCC3)CC2)c1C#N ZINC000329792735 437412874 /nfs/dbraw/zinc/41/28/74/437412874.db2.gz VGFATMBSNQQZTG-UHFFFAOYSA-N 1 1 349.460 0.694 20 30 ECEDMO C[C@](O)(CNC(=O)CN1CCCCCC1=O)C[NH+]1CCOCC1 ZINC000329821136 437417534 /nfs/dbraw/zinc/41/75/34/437417534.db2.gz GRUUOGWNBXMKDD-INIZCTEOSA-N 1 1 327.425 0.429 20 30 ECEDMO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000329836318 437418963 /nfs/dbraw/zinc/41/89/63/437418963.db2.gz MMNCVCLQTQUROT-DOMZBBRYSA-N 1 1 345.465 0.338 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337785434 437378677 /nfs/dbraw/zinc/37/86/77/437378677.db2.gz WUUFCLAHFPXREP-CABCVRRESA-N 1 1 344.481 0.509 20 30 ECEDMO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000337837974 437380192 /nfs/dbraw/zinc/38/01/92/437380192.db2.gz DEKOXQMBRMLELD-KGLIPLIRSA-N 1 1 335.408 0.073 20 30 ECEDMO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000337837974 437380196 /nfs/dbraw/zinc/38/01/96/437380196.db2.gz DEKOXQMBRMLELD-KGLIPLIRSA-N 1 1 335.408 0.073 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000268213148 437382092 /nfs/dbraw/zinc/38/20/92/437382092.db2.gz OZXJRHJWMGPMIW-LRDDRELGSA-N 1 1 326.400 0.887 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)[C@@H](C)C1 ZINC000329576902 437385359 /nfs/dbraw/zinc/38/53/59/437385359.db2.gz VVVGGQYYMJILAF-IHRRRGAJSA-N 1 1 338.452 0.298 20 30 ECEDMO C#CC(C)(C)[N@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000279286007 437390251 /nfs/dbraw/zinc/39/02/51/437390251.db2.gz OWGHOKPOJYVQOK-UHFFFAOYSA-N 1 1 337.445 0.336 20 30 ECEDMO C#CC(C)(C)[N@@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000279286007 437390253 /nfs/dbraw/zinc/39/02/53/437390253.db2.gz OWGHOKPOJYVQOK-UHFFFAOYSA-N 1 1 337.445 0.336 20 30 ECEDMO COCC[NH+]1CCC(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)CC1 ZINC000329640616 437395024 /nfs/dbraw/zinc/39/50/24/437395024.db2.gz ZWFYPHYAIQYEDE-WCQYABFASA-N 1 1 333.454 0.034 20 30 ECEDMO [O-]C(=[NH+][C@H]1CCc2c[nH]nc2C1)N1CCC[C@H]1CN1CCOCC1 ZINC000329681264 437400957 /nfs/dbraw/zinc/40/09/57/437400957.db2.gz WUPWKRYNIGNMKF-GJZGRUSLSA-N 1 1 333.436 0.978 20 30 ECEDMO C[C@H](NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000330234874 437473037 /nfs/dbraw/zinc/47/30/37/437473037.db2.gz YOFOBKAPZGUXRX-GXTWGEPZSA-N 1 1 344.481 0.517 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCCN2C)[NH+]1CCOCC1 ZINC000329955030 437435857 /nfs/dbraw/zinc/43/58/57/437435857.db2.gz ORQKSIFQERSMIX-XHSDSOJGSA-N 1 1 340.468 0.272 20 30 ECEDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000329954831 437435873 /nfs/dbraw/zinc/43/58/73/437435873.db2.gz NZEOXLUZLAAXDV-GFCCVEGCSA-N 1 1 336.440 0.444 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000329954831 437435877 /nfs/dbraw/zinc/43/58/77/437435877.db2.gz NZEOXLUZLAAXDV-GFCCVEGCSA-N 1 1 336.440 0.444 20 30 ECEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000329992419 437443238 /nfs/dbraw/zinc/44/32/38/437443238.db2.gz KLWWSKNBCGHYCR-FOLVSLTJSA-N 1 1 338.452 0.421 20 30 ECEDMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000329992419 437443241 /nfs/dbraw/zinc/44/32/41/437443241.db2.gz KLWWSKNBCGHYCR-FOLVSLTJSA-N 1 1 338.452 0.421 20 30 ECEDMO COCC(=O)NC1CN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000330006456 437445149 /nfs/dbraw/zinc/44/51/49/437445149.db2.gz FAVDZODURPPJJS-UHFFFAOYSA-N 1 1 346.391 0.650 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCn2cnnc2[C@H]1C)[NH+]1CCOCC1 ZINC000330059213 437449367 /nfs/dbraw/zinc/44/93/67/437449367.db2.gz KPCABBPTAUAORT-KGLIPLIRSA-N 1 1 336.440 0.926 20 30 ECEDMO C[C@H](CNC(=O)N1CC[C@@H](N2CCCC2=O)C1)C[NH+]1CCOCC1 ZINC000330118705 437457011 /nfs/dbraw/zinc/45/70/11/437457011.db2.gz YWILRQNPKZFRFT-HUUCEWRRSA-N 1 1 338.452 0.565 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O)N1CC[NH+](C)CC1 ZINC000330137694 437459186 /nfs/dbraw/zinc/45/91/86/437459186.db2.gz IBDWXTRQONSEKN-ZIAGYGMSSA-N 1 1 348.451 0.508 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)C2 ZINC000290081568 437461686 /nfs/dbraw/zinc/46/16/86/437461686.db2.gz OUYFPBBSVRGHAU-MRXNPFEDSA-N 1 1 345.447 0.828 20 30 ECEDMO C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000290083235 437462487 /nfs/dbraw/zinc/46/24/87/437462487.db2.gz OYQDLOUFCWZFNG-AWEZNQCLSA-N 1 1 346.431 0.430 20 30 ECEDMO C[C@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCN1S(C)(=O)=O ZINC000330189362 437466884 /nfs/dbraw/zinc/46/68/84/437466884.db2.gz LSLHVDQUVYGHFA-RYUDHWBXSA-N 1 1 341.437 0.078 20 30 ECEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCS(=O)(=O)C1 ZINC000330196673 437467609 /nfs/dbraw/zinc/46/76/09/437467609.db2.gz QQTRMUBMOLVNAI-OLZOCXBDSA-N 1 1 326.422 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)CCC)CC2)C1=O ZINC000330380752 437495891 /nfs/dbraw/zinc/49/58/91/437495891.db2.gz HQNRUQBXLAWXQK-CQSZACIVSA-N 1 1 329.466 0.567 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)c2cnn(C)c2C)CC1 ZINC000330387364 437496648 /nfs/dbraw/zinc/49/66/48/437496648.db2.gz VXFNPJXNCRIHGR-LLVKDONJSA-N 1 1 336.440 0.504 20 30 ECEDMO COCCN1CN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1=O ZINC000330391024 437500301 /nfs/dbraw/zinc/50/03/01/437500301.db2.gz HCHDRZNQORAUSW-UONOGXRCSA-N 1 1 326.441 0.769 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cn(C)nc2C)CC1 ZINC000330504507 437534432 /nfs/dbraw/zinc/53/44/32/437534432.db2.gz DYSFBGWQDQAPDL-NSHDSACASA-N 1 1 336.440 0.504 20 30 ECEDMO C=C[C@H](CO)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000291037424 437554968 /nfs/dbraw/zinc/55/49/68/437554968.db2.gz PEHWBUGNPFYBOQ-HUUCEWRRSA-N 1 1 333.436 0.438 20 30 ECEDMO CC(C)(CNC(=O)NCC(=O)NCC#N)[N@H+]1CCc2ccccc2C1 ZINC000343694228 437629107 /nfs/dbraw/zinc/62/91/07/437629107.db2.gz NNPQCTXPUZCWDF-UHFFFAOYSA-N 1 1 343.431 0.762 20 30 ECEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000354515193 437631202 /nfs/dbraw/zinc/63/12/02/437631202.db2.gz ZVIDSTMCQWOBLV-LBPRGKRZSA-N 1 1 348.451 1.293 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000343737077 437642036 /nfs/dbraw/zinc/64/20/36/437642036.db2.gz HYKURBXDVORABX-UKRRQHHQSA-N 1 1 334.464 0.494 20 30 ECEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCCN1C(=O)CNC1=O ZINC000330904078 437646432 /nfs/dbraw/zinc/64/64/32/437646432.db2.gz YTNRZVHDUIHDIB-GFCCVEGCSA-N 1 1 325.413 0.319 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340482803 437665151 /nfs/dbraw/zinc/66/51/51/437665151.db2.gz XXWDJIRRFPZFRM-FPCVCCKLSA-N 1 1 335.448 0.827 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000343895647 437685394 /nfs/dbraw/zinc/68/53/94/437685394.db2.gz HTRCJSZHOJACDS-LSDHHAIUSA-N 1 1 331.420 0.633 20 30 ECEDMO C[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CC[NH+](C)CC1 ZINC000355309863 437695819 /nfs/dbraw/zinc/69/58/19/437695819.db2.gz NWCZWUPJBQUZTB-HNNXBMFYSA-N 1 1 342.447 0.238 20 30 ECEDMO CO[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1OC ZINC000331125082 437693206 /nfs/dbraw/zinc/69/32/06/437693206.db2.gz QWLILIUOZIGMBJ-SOUVJXGZSA-N 1 1 329.441 0.603 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000362933460 437762805 /nfs/dbraw/zinc/76/28/05/437762805.db2.gz TUTQWLAFNBMIRW-HZPDHXFCSA-N 1 1 327.384 0.586 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000344075854 437728068 /nfs/dbraw/zinc/72/80/68/437728068.db2.gz VKQGTJNONUAMHI-QWHCGFSZSA-N 1 1 329.466 0.471 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000344075854 437728071 /nfs/dbraw/zinc/72/80/71/437728071.db2.gz VKQGTJNONUAMHI-QWHCGFSZSA-N 1 1 329.466 0.471 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000344075846 437728359 /nfs/dbraw/zinc/72/83/59/437728359.db2.gz VKQGTJNONUAMHI-OLZOCXBDSA-N 1 1 329.466 0.471 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000344075846 437728362 /nfs/dbraw/zinc/72/83/62/437728362.db2.gz VKQGTJNONUAMHI-OLZOCXBDSA-N 1 1 329.466 0.471 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000344075834 437728558 /nfs/dbraw/zinc/72/85/58/437728558.db2.gz VKQGTJNONUAMHI-CHWSQXEVSA-N 1 1 329.466 0.471 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000344075834 437728560 /nfs/dbraw/zinc/72/85/60/437728560.db2.gz VKQGTJNONUAMHI-CHWSQXEVSA-N 1 1 329.466 0.471 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340794643 437735523 /nfs/dbraw/zinc/73/55/23/437735523.db2.gz HZKRREFOEXEXPL-WCVJEAGWSA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000362444642 437738087 /nfs/dbraw/zinc/73/80/87/437738087.db2.gz HQBQCDVUNPKPQG-CQSZACIVSA-N 1 1 331.420 0.207 20 30 ECEDMO C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000364920090 437826620 /nfs/dbraw/zinc/82/66/20/437826620.db2.gz YDGZNWWFHGZRDH-LBPRGKRZSA-N 1 1 341.408 0.775 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000364920090 437826627 /nfs/dbraw/zinc/82/66/27/437826627.db2.gz YDGZNWWFHGZRDH-LBPRGKRZSA-N 1 1 341.408 0.775 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000346211343 437806616 /nfs/dbraw/zinc/80/66/16/437806616.db2.gz SYKBLRKPXRMPAP-NHIYQJMISA-N 1 1 335.448 0.825 20 30 ECEDMO C[NH+]1CCN(CC2(C)CCN(S(=O)(=O)CCCC#N)CC2)CC1 ZINC000364006776 437810532 /nfs/dbraw/zinc/81/05/32/437810532.db2.gz ZJLPANGLWLKNCF-UHFFFAOYSA-N 1 1 342.509 0.969 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000364018895 437811007 /nfs/dbraw/zinc/81/10/07/437811007.db2.gz FVKITYVOTOZULA-GFCCVEGCSA-N 1 1 346.435 0.804 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 ZINC000364338657 437815134 /nfs/dbraw/zinc/81/51/34/437815134.db2.gz MJFNFCYTJXJIOM-MRXNPFEDSA-N 1 1 326.400 0.823 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000364939681 437832950 /nfs/dbraw/zinc/83/29/50/437832950.db2.gz YRFQBWHAQBZUMC-CQSZACIVSA-N 1 1 347.415 0.861 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424046188 437883476 /nfs/dbraw/zinc/88/34/76/437883476.db2.gz VIAUTTJUUNCUGA-UHFFFAOYSA-N 1 1 327.450 0.201 20 30 ECEDMO C=CC[C@@H](CO)CNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000341697148 437888500 /nfs/dbraw/zinc/88/85/00/437888500.db2.gz WYCATQKOHKVYCM-HZPDHXFCSA-N 1 1 326.485 0.742 20 30 ECEDMO C=CC[C@@H](CO)CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341799741 437899450 /nfs/dbraw/zinc/89/94/50/437899450.db2.gz HJRPGYQTIGYZES-CABCVRRESA-N 1 1 340.468 0.413 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000424551318 437972988 /nfs/dbraw/zinc/97/29/88/437972988.db2.gz VFAXKYFLYOQXDW-JYJNAYRXSA-N 1 1 344.415 0.262 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)C[C@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348110739 438015231 /nfs/dbraw/zinc/01/52/31/438015231.db2.gz VNJMPZRLQMKIMC-VXGBXAGGSA-N 1 1 325.413 0.627 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348110739 438015240 /nfs/dbraw/zinc/01/52/40/438015240.db2.gz VNJMPZRLQMKIMC-VXGBXAGGSA-N 1 1 325.413 0.627 20 30 ECEDMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1 ZINC000425396370 438024636 /nfs/dbraw/zinc/02/46/36/438024636.db2.gz YSQBJNPAEMJCES-UHFFFAOYSA-N 1 1 336.436 0.318 20 30 ECEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCN(CCO)CC1 ZINC000357643639 438033475 /nfs/dbraw/zinc/03/34/75/438033475.db2.gz GKCWCSDUYIINLQ-KRWDZBQOSA-N 1 1 333.432 0.686 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1ccnn1C ZINC000348088141 438008673 /nfs/dbraw/zinc/00/86/73/438008673.db2.gz PNTUQSJUDAGDSZ-SQWLQELKSA-N 1 1 337.443 0.955 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)C1(C#N)CCCCC1 ZINC000366312983 438051737 /nfs/dbraw/zinc/05/17/37/438051737.db2.gz OSPVQOWTFITKJN-QWHCGFSZSA-N 1 1 332.404 0.266 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000366729295 438118568 /nfs/dbraw/zinc/11/85/68/438118568.db2.gz LBHYQPJMEOQCNX-MRXNPFEDSA-N 1 1 343.431 0.711 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000366729295 438118572 /nfs/dbraw/zinc/11/85/72/438118572.db2.gz LBHYQPJMEOQCNX-MRXNPFEDSA-N 1 1 343.431 0.711 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)CCCCO)CC2)o1 ZINC000349954834 438188311 /nfs/dbraw/zinc/18/83/11/438188311.db2.gz OVXMASVQIINHHR-UHFFFAOYSA-N 1 1 335.408 0.208 20 30 ECEDMO CC[C@@H]1CN(C(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000358269892 438191189 /nfs/dbraw/zinc/19/11/89/438191189.db2.gz DVNVYBFAYFNWOU-MRXNPFEDSA-N 1 1 343.431 0.932 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375507874 438258668 /nfs/dbraw/zinc/25/86/68/438258668.db2.gz ZGGIQGTWOVHJOS-HBNTYKKESA-N 1 1 334.342 0.590 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375507874 438258670 /nfs/dbraw/zinc/25/86/70/438258670.db2.gz ZGGIQGTWOVHJOS-HBNTYKKESA-N 1 1 334.342 0.590 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375782558 438262868 /nfs/dbraw/zinc/26/28/68/438262868.db2.gz LCLIDNLWISUXEA-UONOGXRCSA-N 1 1 325.409 0.658 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375782558 438262871 /nfs/dbraw/zinc/26/28/71/438262871.db2.gz LCLIDNLWISUXEA-UONOGXRCSA-N 1 1 325.409 0.658 20 30 ECEDMO COC(=O)[C@@H]1CN(CC#CC[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000375357076 438250500 /nfs/dbraw/zinc/25/05/00/438250500.db2.gz TTXWELMBCWCWFU-KLHDSHLOSA-N 1 1 336.432 0.472 20 30 ECEDMO COC(=O)[C@@H]1CN(CC#CC[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000375357076 438250505 /nfs/dbraw/zinc/25/05/05/438250505.db2.gz TTXWELMBCWCWFU-KLHDSHLOSA-N 1 1 336.432 0.472 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434998250 438339287 /nfs/dbraw/zinc/33/92/87/438339287.db2.gz AAXHQLBTELPVOM-MRXNPFEDSA-N 1 1 349.431 0.571 20 30 ECEDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)NCC(=O)NCC#N)CC2)C1CC1 ZINC000377022216 438300886 /nfs/dbraw/zinc/30/08/86/438300886.db2.gz ZYHAMUSNZGYQJW-CYBMUJFWSA-N 1 1 333.436 0.532 20 30 ECEDMO C[N@@H+]1CC[C@@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C[C@@H]21 ZINC000377603183 438312751 /nfs/dbraw/zinc/31/27/51/438312751.db2.gz GHAXVEXBZRIHNX-CABCVRRESA-N 1 1 334.445 0.753 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C[C@@H]21 ZINC000377603183 438312757 /nfs/dbraw/zinc/31/27/57/438312757.db2.gz GHAXVEXBZRIHNX-CABCVRRESA-N 1 1 334.445 0.753 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000435432238 438364790 /nfs/dbraw/zinc/36/47/90/438364790.db2.gz HZAHICSFEMPZPF-UHFFFAOYSA-N 1 1 342.446 0.062 20 30 ECEDMO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nn1CCC#N ZINC000378520524 438395560 /nfs/dbraw/zinc/39/55/60/438395560.db2.gz NYJNHWHWWCROSJ-HUUCEWRRSA-N 1 1 346.435 1.480 20 30 ECEDMO Cc1cc(NC(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nn1CCC#N ZINC000378520524 438395565 /nfs/dbraw/zinc/39/55/65/438395565.db2.gz NYJNHWHWWCROSJ-HUUCEWRRSA-N 1 1 346.435 1.480 20 30 ECEDMO N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369346596 438458293 /nfs/dbraw/zinc/45/82/93/438458293.db2.gz NMZCONJIEUCYJD-AWEZNQCLSA-N 1 1 346.391 0.680 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H]2CC[C@H](O)CC2)CC1 ZINC000439297465 438506660 /nfs/dbraw/zinc/50/66/60/438506660.db2.gz SAZVHRUZZXOSDM-ULQDDVLXSA-N 1 1 336.480 0.914 20 30 ECEDMO CN(C(=O)C(C)(C)C#N)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000408096169 438511019 /nfs/dbraw/zinc/51/10/19/438511019.db2.gz WTBJPSLVSBXTDC-UHFFFAOYSA-N 1 1 349.479 0.233 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC3CCOCC3)CC2)o1 ZINC000408116702 438514938 /nfs/dbraw/zinc/51/49/38/438514938.db2.gz ZDHYMZWKRJNCEI-UHFFFAOYSA-N 1 1 339.417 0.884 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000370080413 438549602 /nfs/dbraw/zinc/54/96/02/438549602.db2.gz FXRIHRHHEHTFQC-AEFFLSMTSA-N 1 1 334.464 0.526 20 30 ECEDMO COCCC[N@H+]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000370291173 438567912 /nfs/dbraw/zinc/56/79/12/438567912.db2.gz YLBBIHKJEMNBJX-AWEZNQCLSA-N 1 1 332.470 0.509 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)C1=O ZINC000370316771 438570506 /nfs/dbraw/zinc/57/05/06/438570506.db2.gz SZZZRHIDJXPVIW-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)C1=O ZINC000370316771 438570507 /nfs/dbraw/zinc/57/05/07/438570507.db2.gz SZZZRHIDJXPVIW-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO N#CC1(CS(=O)(=O)NCC[NH+]2CCC(O)CC2)CCCCC1 ZINC000451983776 438622781 /nfs/dbraw/zinc/62/27/81/438622781.db2.gz CPFIYWFEMNSNCL-UHFFFAOYSA-N 1 1 329.466 0.837 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000447389041 438677401 /nfs/dbraw/zinc/67/74/01/438677401.db2.gz YDMORUOLZSKUFW-SOUVJXGZSA-N 1 1 327.425 0.093 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CCCC1 ZINC000451672453 438706382 /nfs/dbraw/zinc/70/63/82/438706382.db2.gz SNALSKAILCHMKB-AWEZNQCLSA-N 1 1 329.466 0.837 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NCC#Cc2cccc(F)c2)CC[N@@H+](C)C1 ZINC000413532735 438693953 /nfs/dbraw/zinc/69/39/53/438693953.db2.gz NGQCVFGGDYMASN-HNNXBMFYSA-N 1 1 347.390 0.923 20 30 ECEDMO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)CC2(CC#N)CC2)C1 ZINC000451039826 438694922 /nfs/dbraw/zinc/69/49/22/438694922.db2.gz ZXVQQVQXMIUZRS-AWEZNQCLSA-N 1 1 329.466 0.956 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)CC2(CC#N)CC2)C1 ZINC000451039826 438694925 /nfs/dbraw/zinc/69/49/25/438694925.db2.gz ZXVQQVQXMIUZRS-AWEZNQCLSA-N 1 1 329.466 0.956 20 30 ECEDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000453967747 438703691 /nfs/dbraw/zinc/70/36/91/438703691.db2.gz JANZJXHIQAQBRP-CQSZACIVSA-N 1 1 346.435 1.217 20 30 ECEDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000453967747 438703694 /nfs/dbraw/zinc/70/36/94/438703694.db2.gz JANZJXHIQAQBRP-CQSZACIVSA-N 1 1 346.435 1.217 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](C)C(=O)NC)C3)C2)nn1 ZINC001041728416 782069708 /nfs/dbraw/zinc/06/97/08/782069708.db2.gz HWUXJPMPDUQXTK-SUMWQHHRSA-N 1 1 346.435 0.137 20 30 ECEDMO CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCCC[NH+]1CCOCC1 ZINC000557563912 438803393 /nfs/dbraw/zinc/80/33/93/438803393.db2.gz MVTQCGCKEPALQD-UHFFFAOYSA-N 1 1 348.451 0.757 20 30 ECEDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000554534070 438766949 /nfs/dbraw/zinc/76/69/49/438766949.db2.gz JHLZMCSFQFRUFY-OAHLLOKOSA-N 1 1 344.481 0.508 20 30 ECEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000558561360 438812961 /nfs/dbraw/zinc/81/29/61/438812961.db2.gz CZKPKTLYYZJIGN-CABCVRRESA-N 1 1 344.481 0.556 20 30 ECEDMO C[C@@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](C)[N@@H+]1CCO ZINC000595519711 438814226 /nfs/dbraw/zinc/81/42/26/438814226.db2.gz ZPHUXZMQWGYRLN-SOLBZPMBSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](C)N1CCO ZINC000595519711 438814230 /nfs/dbraw/zinc/81/42/30/438814230.db2.gz ZPHUXZMQWGYRLN-SOLBZPMBSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](C)N1CCO ZINC000595519711 438814235 /nfs/dbraw/zinc/81/42/35/438814235.db2.gz ZPHUXZMQWGYRLN-SOLBZPMBSA-N 1 1 347.459 0.879 20 30 ECEDMO COC[C@]1(CO)CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000595529473 438817674 /nfs/dbraw/zinc/81/76/74/438817674.db2.gz XQXZPAUZKSFLHS-SJLPKXTDSA-N 1 1 334.416 0.823 20 30 ECEDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 ZINC000514995745 438843879 /nfs/dbraw/zinc/84/38/79/438843879.db2.gz OKWSYFZPKSEGJL-CQSZACIVSA-N 1 1 346.435 0.986 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@](O)(C3CC3)C2)CC1 ZINC000595748636 438856316 /nfs/dbraw/zinc/85/63/16/438856316.db2.gz BPNWUCHFJZOOAF-MJGOQNOKSA-N 1 1 348.491 0.916 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CC2=CCCOC2)CC1 ZINC000595746985 438856693 /nfs/dbraw/zinc/85/66/93/438856693.db2.gz IAOPUXVBCGNIPQ-KRWDZBQOSA-N 1 1 334.464 0.957 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC2=CCCOC2)CC1 ZINC000595746985 438856697 /nfs/dbraw/zinc/85/66/97/438856697.db2.gz IAOPUXVBCGNIPQ-KRWDZBQOSA-N 1 1 334.464 0.957 20 30 ECEDMO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CC(=O)NCC#N)cc1 ZINC000515376597 438864552 /nfs/dbraw/zinc/86/45/52/438864552.db2.gz UNJVPZNAZBQPGS-UHFFFAOYSA-N 1 1 337.445 0.987 20 30 ECEDMO C[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000589329994 438870131 /nfs/dbraw/zinc/87/01/31/438870131.db2.gz HYMPSUVGUYVUQB-CYBMUJFWSA-N 1 1 336.417 0.047 20 30 ECEDMO C=CCn1cc(C[NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)nn1 ZINC000564855883 438878681 /nfs/dbraw/zinc/87/86/81/438878681.db2.gz FKXJJOOSTQUSEF-MRXNPFEDSA-N 1 1 345.403 0.952 20 30 ECEDMO C=CCn1cc(C[NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)nn1 ZINC000564855882 438879557 /nfs/dbraw/zinc/87/95/57/438879557.db2.gz FKXJJOOSTQUSEF-INIZCTEOSA-N 1 1 345.403 0.952 20 30 ECEDMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CCC#N)CC1 ZINC000564915790 438885837 /nfs/dbraw/zinc/88/58/37/438885837.db2.gz MEWOFTJZIVQNAB-NSHDSACASA-N 1 1 347.419 0.253 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)n3)CC[C@@H]21 ZINC000564947278 438892967 /nfs/dbraw/zinc/89/29/67/438892967.db2.gz HKYNOVOTWPXGBP-OCCSQVGLSA-N 1 1 327.388 0.834 20 30 ECEDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)[C@@H]2C1 ZINC000589929520 438893811 /nfs/dbraw/zinc/89/38/11/438893811.db2.gz JOTYXGLMPCPUJR-GXFFZTMASA-N 1 1 336.373 0.791 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)c1C#N ZINC000565372555 438947223 /nfs/dbraw/zinc/94/72/23/438947223.db2.gz LCGXNENFTHVQHC-ZDUSSCGKSA-N 1 1 330.436 0.591 20 30 ECEDMO Cn1c(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(C#N)c(=O)n(C)c1=O ZINC000596570649 438977869 /nfs/dbraw/zinc/97/78/69/438977869.db2.gz MBBZVDRCIXBCJE-CYBMUJFWSA-N 1 1 331.420 0.490 20 30 ECEDMO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000517752866 438978318 /nfs/dbraw/zinc/97/83/18/438978318.db2.gz KUIULJMRAASDCC-ZDUSSCGKSA-N 1 1 334.424 0.123 20 30 ECEDMO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000517752866 438978321 /nfs/dbraw/zinc/97/83/21/438978321.db2.gz KUIULJMRAASDCC-ZDUSSCGKSA-N 1 1 334.424 0.123 20 30 ECEDMO N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000602283123 439058792 /nfs/dbraw/zinc/05/87/92/439058792.db2.gz PATHAJHJLAIULL-HOTGVXAUSA-N 1 1 347.463 0.177 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)C1 ZINC000597251819 439063435 /nfs/dbraw/zinc/06/34/35/439063435.db2.gz NFJZJTCSAUZATH-INIZCTEOSA-N 1 1 334.464 0.935 20 30 ECEDMO C[C@H](CC#N)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000597053324 439034374 /nfs/dbraw/zinc/03/43/74/439034374.db2.gz UEMVNVVQNQJCEX-OAHLLOKOSA-N 1 1 328.416 0.997 20 30 ECEDMO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000591850526 439086928 /nfs/dbraw/zinc/08/69/28/439086928.db2.gz JKNNJIRNXWSUES-ARFHVFGLSA-N 1 1 335.452 0.384 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)CC2(C#N)CCOCC2)C[C@@H]1C ZINC000597471131 439105902 /nfs/dbraw/zinc/10/59/02/439105902.db2.gz VXYQSXSFJNUXBM-AWEZNQCLSA-N 1 1 337.420 0.793 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)CC2(C#N)CCOCC2)C[C@@H]1C ZINC000597471131 439105906 /nfs/dbraw/zinc/10/59/06/439105906.db2.gz VXYQSXSFJNUXBM-AWEZNQCLSA-N 1 1 337.420 0.793 20 30 ECEDMO COC(=O)c1ccc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c(C#N)n1 ZINC000521272135 439113252 /nfs/dbraw/zinc/11/32/52/439113252.db2.gz RWYXISUVPIIOFO-CQSZACIVSA-N 1 1 331.376 0.492 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592150846 439167001 /nfs/dbraw/zinc/16/70/01/439167001.db2.gz HPLNHJYFMMFOIA-DOTOQJQBSA-N 1 1 333.436 0.029 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592150846 439167004 /nfs/dbraw/zinc/16/70/04/439167004.db2.gz HPLNHJYFMMFOIA-DOTOQJQBSA-N 1 1 333.436 0.029 20 30 ECEDMO N#CCNCc1cn(Cc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000603253891 439220718 /nfs/dbraw/zinc/22/07/18/439220718.db2.gz GLRFCGHXHSFGEZ-UHFFFAOYSA-N 1 1 326.404 0.772 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488144118 439176879 /nfs/dbraw/zinc/17/68/79/439176879.db2.gz FDMPXKFYRMWJJY-UHFFFAOYSA-N 1 1 326.194 0.883 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488144118 439176885 /nfs/dbraw/zinc/17/68/85/439176885.db2.gz FDMPXKFYRMWJJY-UHFFFAOYSA-N 1 1 326.194 0.883 20 30 ECEDMO C[N@@H+]1C[C@@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)[C@@H]2C1 ZINC000581366203 439204296 /nfs/dbraw/zinc/20/42/96/439204296.db2.gz GAYMCLGDMTUFMF-LSDHHAIUSA-N 1 1 334.445 0.753 20 30 ECEDMO C[N@H+]1C[C@@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)[C@@H]2C1 ZINC000581366203 439204300 /nfs/dbraw/zinc/20/43/00/439204300.db2.gz GAYMCLGDMTUFMF-LSDHHAIUSA-N 1 1 334.445 0.753 20 30 ECEDMO C=CCNc1ncc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000581488189 439217490 /nfs/dbraw/zinc/21/74/90/439217490.db2.gz UHUCVIUGTKXFBM-GFCCVEGCSA-N 1 1 349.460 0.777 20 30 ECEDMO CCN1C(=O)[C@H]2C[N@H+](Cc3cnc4c(C#N)cnn4c3)CCN2C1=O ZINC000592505525 439244075 /nfs/dbraw/zinc/24/40/75/439244075.db2.gz YKFFKRJPQOOZOM-CYBMUJFWSA-N 1 1 339.359 0.069 20 30 ECEDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cnc4c(C#N)cnn4c3)CCN2C1=O ZINC000592505525 439244080 /nfs/dbraw/zinc/24/40/80/439244080.db2.gz YKFFKRJPQOOZOM-CYBMUJFWSA-N 1 1 339.359 0.069 20 30 ECEDMO CCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H](C)C#N ZINC000598359329 439255550 /nfs/dbraw/zinc/25/55/50/439255550.db2.gz KJLGARJOMLPBMP-HUUCEWRRSA-N 1 1 336.436 0.460 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000490915969 439312511 /nfs/dbraw/zinc/31/25/11/439312511.db2.gz QXDADLAWWSHTLS-ZIAGYGMSSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000490915969 439312515 /nfs/dbraw/zinc/31/25/15/439312515.db2.gz QXDADLAWWSHTLS-ZIAGYGMSSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCN(C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000490937631 439314940 /nfs/dbraw/zinc/31/49/40/439314940.db2.gz VICULVHPNZZQSD-ZFWWWQNUSA-N 1 1 339.461 0.469 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000491066323 439326960 /nfs/dbraw/zinc/32/69/60/439326960.db2.gz BTVTVFKAKIXYRL-UHFFFAOYSA-N 1 1 342.399 0.796 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000491069966 439329082 /nfs/dbraw/zinc/32/90/82/439329082.db2.gz ZNZMOZWMHRVIAG-UHFFFAOYSA-N 1 1 330.432 0.790 20 30 ECEDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528374201 439331389 /nfs/dbraw/zinc/33/13/89/439331389.db2.gz WRNSWTVYQWTGCP-KBPBESRZSA-N 1 1 339.395 0.872 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)N1CCC(C(=O)OCC)CC1 ZINC000491118337 439332784 /nfs/dbraw/zinc/33/27/84/439332784.db2.gz COURCJWNXAFSHN-UHFFFAOYSA-N 1 1 345.465 0.051 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528405004 439333811 /nfs/dbraw/zinc/33/38/11/439333811.db2.gz PWGRBRNSTFVCPD-KBPBESRZSA-N 1 1 331.420 0.525 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528405004 439333816 /nfs/dbraw/zinc/33/38/16/439333816.db2.gz PWGRBRNSTFVCPD-KBPBESRZSA-N 1 1 331.420 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(S(=O)(=O)NC)oc1C ZINC000490877862 439307578 /nfs/dbraw/zinc/30/75/78/439307578.db2.gz ZGLCVKDJOMVHHQ-LBPRGKRZSA-N 1 1 340.401 0.751 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cn(Cc2ccccn2)nn1 ZINC000490897320 439310539 /nfs/dbraw/zinc/31/05/39/439310539.db2.gz BHCWOEFHUYXSBM-OAHLLOKOSA-N 1 1 325.372 0.976 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cn(Cc2ccccn2)nn1 ZINC000490897320 439310544 /nfs/dbraw/zinc/31/05/44/439310544.db2.gz BHCWOEFHUYXSBM-OAHLLOKOSA-N 1 1 325.372 0.976 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000490915018 439311231 /nfs/dbraw/zinc/31/12/31/439311231.db2.gz KSQKQAAFCCGNKV-MGPQQGTHSA-N 1 1 327.450 0.301 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528727314 439362632 /nfs/dbraw/zinc/36/26/32/439362632.db2.gz BVQHWLIOEMDZBH-UHFFFAOYSA-N 1 1 338.452 0.081 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528727314 439362636 /nfs/dbraw/zinc/36/26/36/439362636.db2.gz BVQHWLIOEMDZBH-UHFFFAOYSA-N 1 1 338.452 0.081 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000491201703 439347958 /nfs/dbraw/zinc/34/79/58/439347958.db2.gz IUIXUHMYHKDHIB-CVEARBPZSA-N 1 1 332.448 0.784 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1C ZINC000491209239 439348116 /nfs/dbraw/zinc/34/81/16/439348116.db2.gz DKKZBTSLJCGAJI-UHFFFAOYSA-N 1 1 330.388 0.104 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)NCc2ccccc2OC)CC1 ZINC000491200958 439348799 /nfs/dbraw/zinc/34/87/99/439348799.db2.gz DLKSOXMJXITRPM-UHFFFAOYSA-N 1 1 343.427 0.773 20 30 ECEDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528560857 439348908 /nfs/dbraw/zinc/34/89/08/439348908.db2.gz MURGZECFZSIZMC-HOTGVXAUSA-N 1 1 346.431 0.986 20 30 ECEDMO C#CCN1CCN(C(=O)CON=C(N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000491210526 439349559 /nfs/dbraw/zinc/34/95/59/439349559.db2.gz VNRKPWNVLQMNLI-IYBDPMFKSA-N 1 1 349.479 0.525 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000491231719 439354404 /nfs/dbraw/zinc/35/44/04/439354404.db2.gz VSYFBPRZLHBFTJ-UHFFFAOYSA-N 1 1 347.371 0.980 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCNC(=O)/C=C\c2ccco2)CC1 ZINC000491414439 439380624 /nfs/dbraw/zinc/38/06/24/439380624.db2.gz IJOBIOURZDYGEH-SREVYHEPSA-N 1 1 329.400 0.967 20 30 ECEDMO C#C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)(C)C ZINC000491622394 439411451 /nfs/dbraw/zinc/41/14/51/439411451.db2.gz HECYJICNQZQLCU-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)cc1 ZINC000491636559 439417419 /nfs/dbraw/zinc/41/74/19/439417419.db2.gz VMHHFRLDVYWOTF-HNNXBMFYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CC)cc1 ZINC000491636559 439417421 /nfs/dbraw/zinc/41/74/21/439417421.db2.gz VMHHFRLDVYWOTF-HNNXBMFYSA-N 1 1 349.456 0.764 20 30 ECEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)CCOCC1 ZINC000599299056 439423963 /nfs/dbraw/zinc/42/39/63/439423963.db2.gz AGKPNJCZJIZTGR-DLBZAZTESA-N 1 1 337.464 0.712 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491673347 439424407 /nfs/dbraw/zinc/42/44/07/439424407.db2.gz IJMXGALIGYKCBD-UKRRQHHQSA-N 1 1 347.381 0.399 20 30 ECEDMO C#CCN1C(=O)C[C@@H]([N@H+]2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)C1=O ZINC000491715619 439433557 /nfs/dbraw/zinc/43/35/57/439433557.db2.gz KRAQRDBTRIMQLI-BZUAXINKSA-N 1 1 340.379 0.636 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000491730900 439436731 /nfs/dbraw/zinc/43/67/31/439436731.db2.gz FOVXBLOEGICOPW-HNNXBMFYSA-N 1 1 328.416 0.742 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C[C@](C)(C(=O)OCC)CC2=O)CC1 ZINC000491730286 439436747 /nfs/dbraw/zinc/43/67/47/439436747.db2.gz ONJWEAGXEMQMJH-GOSISDBHSA-N 1 1 349.431 0.207 20 30 ECEDMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000593657104 439437393 /nfs/dbraw/zinc/43/73/93/439437393.db2.gz GVNJONKRYAQINJ-UHFFFAOYSA-N 1 1 334.424 0.829 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000491745945 439440602 /nfs/dbraw/zinc/44/06/02/439440602.db2.gz ZDWPIFCZARHHML-UHFFFAOYSA-N 1 1 337.401 0.251 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000491803251 439453455 /nfs/dbraw/zinc/45/34/55/439453455.db2.gz IVAXARCYXFIZPM-HNNXBMFYSA-N 1 1 349.456 0.764 20 30 ECEDMO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583441585 439465118 /nfs/dbraw/zinc/46/51/18/439465118.db2.gz XHPQZPVVBFPFLX-GFCCVEGCSA-N 1 1 348.432 0.362 20 30 ECEDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583441585 439465123 /nfs/dbraw/zinc/46/51/23/439465123.db2.gz XHPQZPVVBFPFLX-GFCCVEGCSA-N 1 1 348.432 0.362 20 30 ECEDMO CN(CC[NH3+])C(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593783021 439465541 /nfs/dbraw/zinc/46/55/41/439465541.db2.gz SGLRIRGVKAEWAJ-UHFFFAOYSA-N 1 1 343.431 0.056 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599435832 439467097 /nfs/dbraw/zinc/46/70/97/439467097.db2.gz BWWKBUHEEBJOCH-UONOGXRCSA-N 1 1 342.461 0.896 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](CCOC[C@H]3CCCO3)CC2)c1C#N ZINC000530413421 439497658 /nfs/dbraw/zinc/49/76/58/439497658.db2.gz NEOXXWSEDZDUST-OAHLLOKOSA-N 1 1 333.436 0.918 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1S(C)(=O)=O ZINC000491815950 439458129 /nfs/dbraw/zinc/45/81/29/439458129.db2.gz QZBKQIPBZBVUMJ-UHFFFAOYSA-N 1 1 337.445 0.844 20 30 ECEDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000599619441 439519756 /nfs/dbraw/zinc/51/97/56/439519756.db2.gz SCWYNSGSWDXUEL-CYBMUJFWSA-N 1 1 330.388 0.592 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](CO)C[C@H]2C)CC1 ZINC000599675763 439535817 /nfs/dbraw/zinc/53/58/17/439535817.db2.gz ZQGIMTYDZGNOHO-BRWVUGGUSA-N 1 1 336.480 0.772 20 30 ECEDMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC(=O)NCc2ccc(C#N)cc2)n1 ZINC000599687015 439536595 /nfs/dbraw/zinc/53/65/95/439536595.db2.gz ZGCIXXFJWXICKR-GOEBONIOSA-N 1 1 341.371 0.986 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NC(=O)NC1CCCC1 ZINC000536342598 439538943 /nfs/dbraw/zinc/53/89/43/439538943.db2.gz AWBJEDRLKBDFPN-UHFFFAOYSA-N 1 1 347.423 0.496 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000599693956 439539016 /nfs/dbraw/zinc/53/90/16/439539016.db2.gz QEIVZSSNJFBVKR-IUODEOHRSA-N 1 1 342.465 0.056 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000599693956 439539021 /nfs/dbraw/zinc/53/90/21/439539021.db2.gz QEIVZSSNJFBVKR-IUODEOHRSA-N 1 1 342.465 0.056 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000599691881 439539118 /nfs/dbraw/zinc/53/91/18/439539118.db2.gz HLXVQUIIBSNDJE-STQMWFEESA-N 1 1 330.454 0.008 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000599691881 439539120 /nfs/dbraw/zinc/53/91/20/439539120.db2.gz HLXVQUIIBSNDJE-STQMWFEESA-N 1 1 330.454 0.008 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC[N@H+]1C ZINC000542830655 439559312 /nfs/dbraw/zinc/55/93/12/439559312.db2.gz MVZMVWIFDGVOJW-RYUDHWBXSA-N 1 1 333.440 0.920 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000543751406 439563008 /nfs/dbraw/zinc/56/30/08/439563008.db2.gz KZPNJCXNFFUTDK-OAHLLOKOSA-N 1 1 349.479 0.266 20 30 ECEDMO N#CCc1ccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000572242054 439568330 /nfs/dbraw/zinc/56/83/30/439568330.db2.gz XQPMFOLNZWZRCV-UHFFFAOYSA-N 1 1 344.415 0.207 20 30 ECEDMO CC1=CC[N@@H+](CCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000546590440 439570651 /nfs/dbraw/zinc/57/06/51/439570651.db2.gz HSOWPQQGIRDJKE-UHFFFAOYSA-N 1 1 345.451 1.090 20 30 ECEDMO CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1(C#N)CCC1 ZINC000609516559 439573746 /nfs/dbraw/zinc/57/37/46/439573746.db2.gz UARSSRICQNVIGG-OAHLLOKOSA-N 1 1 348.447 0.604 20 30 ECEDMO COc1cc(NC(=O)C(=O)NCCn2cc[nH+]c2C)c(F)cc1C#N ZINC000599943231 439582706 /nfs/dbraw/zinc/58/27/06/439582706.db2.gz KFGSNCFHHOGRDY-UHFFFAOYSA-N 1 1 345.334 0.966 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000610906916 439656021 /nfs/dbraw/zinc/65/60/21/439656021.db2.gz JSGRELKAKDOVFU-DOMZBBRYSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000610906916 439656025 /nfs/dbraw/zinc/65/60/25/439656025.db2.gz JSGRELKAKDOVFU-DOMZBBRYSA-N 1 1 330.388 0.641 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595165922 439665576 /nfs/dbraw/zinc/66/55/76/439665576.db2.gz LDRIKYCPMXZJPV-KSSFIOAISA-N 1 1 348.447 0.460 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000587729905 439669577 /nfs/dbraw/zinc/66/95/77/439669577.db2.gz LLVNLBRCEQYGNG-ZENOOKHLSA-N 1 1 344.415 0.571 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000587729905 439669584 /nfs/dbraw/zinc/66/95/84/439669584.db2.gz LLVNLBRCEQYGNG-ZENOOKHLSA-N 1 1 344.415 0.571 20 30 ECEDMO N#Cc1ccncc1N1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000584875634 439624033 /nfs/dbraw/zinc/62/40/33/439624033.db2.gz JLRWINDSWAPPGE-INIZCTEOSA-N 1 1 346.431 0.632 20 30 ECEDMO COc1cc(C#N)ccc1OCCCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600810255 439705998 /nfs/dbraw/zinc/70/59/98/439705998.db2.gz XIXGTOOEVZCPGR-HNNXBMFYSA-N 1 1 347.415 0.909 20 30 ECEDMO N#Cc1cccnc1N1CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000600845722 439709375 /nfs/dbraw/zinc/70/93/75/439709375.db2.gz GDXJNRCXDCQKFJ-MRXNPFEDSA-N 1 1 346.431 0.368 20 30 ECEDMO N#CCCN1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000611176316 439678396 /nfs/dbraw/zinc/67/83/96/439678396.db2.gz ZKMVDBYUGPSWMX-OAHLLOKOSA-N 1 1 334.376 0.866 20 30 ECEDMO CN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000611301917 439688738 /nfs/dbraw/zinc/68/87/38/439688738.db2.gz FABRXAOBFIKQBT-UHFFFAOYSA-N 1 1 331.420 0.545 20 30 ECEDMO N#Cc1ccc(CC[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000595290275 439690709 /nfs/dbraw/zinc/69/07/09/439690709.db2.gz UNLYUHXFAFTHHD-UHFFFAOYSA-N 1 1 342.443 0.577 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCCCN1CCOCC1 ZINC000600714739 439693682 /nfs/dbraw/zinc/69/36/82/439693682.db2.gz CGEBEYPOXYJFQR-KRWDZBQOSA-N 1 1 333.432 1.000 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000613311133 439754783 /nfs/dbraw/zinc/75/47/83/439754783.db2.gz XYCRMIZVUIHVTC-NHYWBVRUSA-N 1 1 346.387 0.341 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000613311133 439754784 /nfs/dbraw/zinc/75/47/84/439754784.db2.gz XYCRMIZVUIHVTC-NHYWBVRUSA-N 1 1 346.387 0.341 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000595411188 439724650 /nfs/dbraw/zinc/72/46/50/439724650.db2.gz OTFWINVOAWOTOJ-LSDHHAIUSA-N 1 1 342.465 0.167 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000595500499 439734895 /nfs/dbraw/zinc/73/48/95/439734895.db2.gz RQHNQVDSEBSWDN-OCCSQVGLSA-N 1 1 349.435 0.614 20 30 ECEDMO C[C@@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1CCO ZINC000614600968 439781597 /nfs/dbraw/zinc/78/15/97/439781597.db2.gz YEYBPUBLWJUCQA-WBVHZDCISA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CCO ZINC000614600968 439781598 /nfs/dbraw/zinc/78/15/98/439781598.db2.gz YEYBPUBLWJUCQA-WBVHZDCISA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CCO ZINC000614600968 439781599 /nfs/dbraw/zinc/78/15/99/439781599.db2.gz YEYBPUBLWJUCQA-WBVHZDCISA-N 1 1 333.432 0.491 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)CC1 ZINC000664019920 440215633 /nfs/dbraw/zinc/21/56/33/440215633.db2.gz OEFOMNWPFIVFSV-TZMCWYRMSA-N 1 1 329.466 0.902 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000649188233 440410061 /nfs/dbraw/zinc/41/00/61/440410061.db2.gz HBXJTBLMFMOQEV-ROUUACIJSA-N 1 1 329.444 0.866 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(=O)NC)C2)C1 ZINC001041736680 782085551 /nfs/dbraw/zinc/08/55/51/782085551.db2.gz VXNCNNVSIMSCKT-QILLFSRXSA-N 1 1 335.448 0.638 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CC3(O)CCC3)CC2)o1 ZINC000546098803 322116054 /nfs/dbraw/zinc/11/60/54/322116054.db2.gz GXJPQYHXAOGOJK-UHFFFAOYSA-N 1 1 347.419 0.350 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)c1C#N ZINC000562346873 322270773 /nfs/dbraw/zinc/27/07/73/322270773.db2.gz AGVKNWUAYNIHIN-INIZCTEOSA-N 1 1 342.447 0.876 20 30 ECEDMO N#Cc1cnn2c1NC[C@@H](C[N@H+]1CCO[C@H](COCC3CC3)C1)C2 ZINC000563149677 322301494 /nfs/dbraw/zinc/30/14/94/322301494.db2.gz KRACBXITJVEHAV-HOCLYGCPSA-N 1 1 331.420 0.924 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(S(C)(=O)=O)CCC3)C2)C1 ZINC001041765462 782158368 /nfs/dbraw/zinc/15/83/68/782158368.db2.gz LQNJYKWXQQRXNH-MRXNPFEDSA-N 1 1 338.473 0.901 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)[N@H+](C)C1 ZINC000329020122 546011902 /nfs/dbraw/zinc/01/19/02/546011902.db2.gz HOKGYNONIYODFR-AGIUHOORSA-N 1 1 335.408 0.827 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)[N@@H+](C)C1 ZINC000329020122 546011905 /nfs/dbraw/zinc/01/19/05/546011905.db2.gz HOKGYNONIYODFR-AGIUHOORSA-N 1 1 335.408 0.827 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)[N@@H+](C)C1 ZINC000328998591 546012766 /nfs/dbraw/zinc/01/27/66/546012766.db2.gz VBWOFXSEHBANJK-SNPRPXQTSA-N 1 1 338.452 0.357 20 30 ECEDMO C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329343364 546020986 /nfs/dbraw/zinc/02/09/86/546020986.db2.gz CFPISVUWQHHFBC-JQWIXIFHSA-N 1 1 339.469 0.691 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CCCOC1 ZINC000329761762 546033608 /nfs/dbraw/zinc/03/36/08/546033608.db2.gz RWHPFDRPEJJABD-LSDHHAIUSA-N 1 1 339.436 0.835 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CCn2ccnc2C1)N1CC[NH+](C)CC1 ZINC000329855907 546035781 /nfs/dbraw/zinc/03/57/81/546035781.db2.gz ULMFZPIPFWVLDU-OAHLLOKOSA-N 1 1 334.468 0.885 20 30 ECEDMO CN(C)S(=O)(=O)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000619620127 546349683 /nfs/dbraw/zinc/34/96/83/546349683.db2.gz XGWMQXMBNLFBLL-UHFFFAOYSA-N 1 1 344.481 0.511 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000619721684 546364398 /nfs/dbraw/zinc/36/43/98/546364398.db2.gz QTKSRSQYGBUYKC-XYJFISCASA-N 1 1 347.459 0.879 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000623862380 546851358 /nfs/dbraw/zinc/85/13/58/546851358.db2.gz SFHBRNIHBFBJJD-OAHLLOKOSA-N 1 1 346.431 0.871 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000623862380 546851364 /nfs/dbraw/zinc/85/13/64/546851364.db2.gz SFHBRNIHBFBJJD-OAHLLOKOSA-N 1 1 346.431 0.871 20 30 ECEDMO CCC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)NC ZINC000625108476 547022212 /nfs/dbraw/zinc/02/22/12/547022212.db2.gz RBBJSVJLMGTOND-UHFFFAOYSA-N 1 1 327.384 0.744 20 30 ECEDMO CCC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)NC ZINC000625108476 547022214 /nfs/dbraw/zinc/02/22/14/547022214.db2.gz RBBJSVJLMGTOND-UHFFFAOYSA-N 1 1 327.384 0.744 20 30 ECEDMO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@H]1COCCO1 ZINC000625536571 547141812 /nfs/dbraw/zinc/14/18/12/547141812.db2.gz GTGWLLGHTLXHJA-AWEZNQCLSA-N 1 1 328.368 0.633 20 30 ECEDMO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@H]1COCCO1 ZINC000625536571 547141817 /nfs/dbraw/zinc/14/18/17/547141817.db2.gz GTGWLLGHTLXHJA-AWEZNQCLSA-N 1 1 328.368 0.633 20 30 ECEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000625705434 547205113 /nfs/dbraw/zinc/20/51/13/547205113.db2.gz VIXMKWKHDLYTDL-CYBMUJFWSA-N 1 1 348.447 0.866 20 30 ECEDMO C=CC[C@@H]1CC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000625705434 547205119 /nfs/dbraw/zinc/20/51/19/547205119.db2.gz VIXMKWKHDLYTDL-CYBMUJFWSA-N 1 1 348.447 0.866 20 30 ECEDMO C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCNC(=O)CC1 ZINC000669033155 547816502 /nfs/dbraw/zinc/81/65/02/547816502.db2.gz INGIZKOQDKNXBL-KGLIPLIRSA-N 1 1 346.435 0.326 20 30 ECEDMO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000669057832 547821561 /nfs/dbraw/zinc/82/15/61/547821561.db2.gz XLSYMFLNXKXXEJ-HNNXBMFYSA-N 1 1 343.435 0.776 20 30 ECEDMO C(#CC[N@H+]1CC[C@@H](n2cncn2)C1)CN1CC[C@H](n2cncn2)C1 ZINC000671243420 548112411 /nfs/dbraw/zinc/11/24/11/548112411.db2.gz DGPLELGVSMFUNT-IYBDPMFKSA-N 1 1 326.408 0.067 20 30 ECEDMO C(#CC[N@@H+]1CC[C@H](n2cncn2)C1)CN1CC[C@@H](n2cncn2)C1 ZINC000671243420 548112414 /nfs/dbraw/zinc/11/24/14/548112414.db2.gz DGPLELGVSMFUNT-IYBDPMFKSA-N 1 1 326.408 0.067 20 30 ECEDMO C(#CC[N@H+]1CC[C@H](n2cncn2)C1)CN1CC[C@@H](n2cncn2)C1 ZINC000671243420 548112416 /nfs/dbraw/zinc/11/24/16/548112416.db2.gz DGPLELGVSMFUNT-IYBDPMFKSA-N 1 1 326.408 0.067 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@H]2O)nc1 ZINC001078031106 782176015 /nfs/dbraw/zinc/17/60/15/782176015.db2.gz BZPHSRPBGXVPEY-KURKYZTESA-N 1 1 343.427 0.653 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC001041777130 782181445 /nfs/dbraw/zinc/18/14/45/782181445.db2.gz IFNUVHZGAFKIAN-MAUKXSAKSA-N 1 1 343.431 0.801 20 30 ECEDMO N#Cc1ccnc(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)c1 ZINC000751307400 579365678 /nfs/dbraw/zinc/36/56/78/579365678.db2.gz GASFZDZKBMELFV-UHFFFAOYSA-N 1 1 329.404 0.324 20 30 ECEDMO C#CCOCCNC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000753382594 579400027 /nfs/dbraw/zinc/40/00/27/579400027.db2.gz KVBKLDFNJMZFEZ-UHFFFAOYSA-N 1 1 336.480 0.836 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729503435 578296445 /nfs/dbraw/zinc/29/64/45/578296445.db2.gz XMBURNRHYZMCQE-LSDHHAIUSA-N 1 1 344.419 0.528 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)CCC)CC1 ZINC000730097675 578303275 /nfs/dbraw/zinc/30/32/75/578303275.db2.gz HHOCDYHHDKHNEH-HNNXBMFYSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)CCC)CC1 ZINC000730097675 578303276 /nfs/dbraw/zinc/30/32/76/578303276.db2.gz HHOCDYHHDKHNEH-HNNXBMFYSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 ZINC000730274387 578304413 /nfs/dbraw/zinc/30/44/13/578304413.db2.gz PHQTZVCMZUCYRM-CABCVRRESA-N 1 1 342.399 0.477 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 ZINC000730274387 578304414 /nfs/dbraw/zinc/30/44/14/578304414.db2.gz PHQTZVCMZUCYRM-CABCVRRESA-N 1 1 342.399 0.477 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000730281957 578304675 /nfs/dbraw/zinc/30/46/75/578304675.db2.gz CHIZXWAOOSJHDD-HOTGVXAUSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2noc(CC)n2)C1 ZINC000732561539 578327503 /nfs/dbraw/zinc/32/75/03/578327503.db2.gz AAVVEESMQWCEPR-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2noc(CC)n2)C1 ZINC000732561539 578327505 /nfs/dbraw/zinc/32/75/05/578327505.db2.gz AAVVEESMQWCEPR-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000732561981 578327538 /nfs/dbraw/zinc/32/75/38/578327538.db2.gz CBZAFVYYYDYNOB-YOEHRIQHSA-N 1 1 340.427 0.578 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000732561981 578327539 /nfs/dbraw/zinc/32/75/39/578327539.db2.gz CBZAFVYYYDYNOB-YOEHRIQHSA-N 1 1 340.427 0.578 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)C2(C#N)CCC2)C1 ZINC000736841714 578456175 /nfs/dbraw/zinc/45/61/75/578456175.db2.gz KAKLHRXDNSLXDT-CQSZACIVSA-N 1 1 337.420 0.696 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CCCO1 ZINC000793914863 578566234 /nfs/dbraw/zinc/56/62/34/578566234.db2.gz VQWSRQYDBOSBQJ-JYJNAYRXSA-N 1 1 349.475 0.910 20 30 ECEDMO CC(C)C(CS(=O)(=O)N(C)C)=NNCCC[NH+]1CCOCC1 ZINC000794937775 578601800 /nfs/dbraw/zinc/60/18/00/578601800.db2.gz KXRXDZXTBJKDES-UHFFFAOYSA-N 1 1 334.486 0.202 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc(C#N)o2)C1 ZINC000796151898 578623135 /nfs/dbraw/zinc/62/31/35/578623135.db2.gz CAOKKOXIISLESA-CQSZACIVSA-N 1 1 349.387 0.781 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000781214013 578706490 /nfs/dbraw/zinc/70/64/90/578706490.db2.gz FOYAPXZJXSZJHJ-XJKSGUPXSA-N 1 1 331.416 0.895 20 30 ECEDMO N#CCn1c(C[N@@H+](CCO)C2CCOCC2)nc2ccccc2c1=O ZINC000781979807 578718033 /nfs/dbraw/zinc/71/80/33/578718033.db2.gz CRLWNZBMALOEFY-UHFFFAOYSA-N 1 1 342.399 0.893 20 30 ECEDMO N#CCn1c(C[N@H+](CCO)C2CCOCC2)nc2ccccc2c1=O ZINC000781979807 578718034 /nfs/dbraw/zinc/71/80/34/578718034.db2.gz CRLWNZBMALOEFY-UHFFFAOYSA-N 1 1 342.399 0.893 20 30 ECEDMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000782583601 578728172 /nfs/dbraw/zinc/72/81/72/578728172.db2.gz DYNIAHCTRQRCOY-ZDUSSCGKSA-N 1 1 330.388 0.985 20 30 ECEDMO C#C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000784847814 578758333 /nfs/dbraw/zinc/75/83/33/578758333.db2.gz AGLRNISYTMZRLN-ZDUSSCGKSA-N 1 1 342.399 0.151 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000787637133 578811950 /nfs/dbraw/zinc/81/19/50/578811950.db2.gz JYDOCZXDLVOBQJ-KKUMJFAQSA-N 1 1 349.456 0.764 20 30 ECEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000790972492 578885257 /nfs/dbraw/zinc/88/52/57/578885257.db2.gz CPCHSYBZXXRDPR-CYBMUJFWSA-N 1 1 332.408 0.582 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000770300257 579164164 /nfs/dbraw/zinc/16/41/64/579164164.db2.gz TVUFVFSTHDQYMQ-DOMZBBRYSA-N 1 1 346.387 0.363 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770300257 579164165 /nfs/dbraw/zinc/16/41/65/579164165.db2.gz TVUFVFSTHDQYMQ-DOMZBBRYSA-N 1 1 346.387 0.363 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000770300269 579164308 /nfs/dbraw/zinc/16/43/08/579164308.db2.gz TVUFVFSTHDQYMQ-WFASDCNBSA-N 1 1 346.387 0.363 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770300269 579164309 /nfs/dbraw/zinc/16/43/09/579164309.db2.gz TVUFVFSTHDQYMQ-WFASDCNBSA-N 1 1 346.387 0.363 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1c(C(=O)OCC)cnn1C)[C@@H]1CCCO1 ZINC000775793644 579271399 /nfs/dbraw/zinc/27/13/99/579271399.db2.gz WGEGPIWYBVJIHE-STQMWFEESA-N 1 1 334.376 0.306 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N[C@@H](C(=O)NC)c1ccccc1)[C@@H]1CCCO1 ZINC000775792334 579271435 /nfs/dbraw/zinc/27/14/35/579271435.db2.gz QKYSAINBUCYCBG-YQQAZPJKSA-N 1 1 329.400 0.360 20 30 ECEDMO C#C[C@@H]([NH2+]CC1(CN[C@@H](C#C)[C@@H]2CCCO2)COC1)[C@@H]1CCCO1 ZINC000775801783 579271671 /nfs/dbraw/zinc/27/16/71/579271671.db2.gz WJMJDOWBCNPMME-MHORFTMASA-N 1 1 332.444 0.544 20 30 ECEDMO C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CCCO1 ZINC000776225235 579277982 /nfs/dbraw/zinc/27/79/82/579277982.db2.gz AKHSDZMIVOXMMZ-FGTMMUONSA-N 1 1 348.491 0.977 20 30 ECEDMO C#C[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000776225235 579277984 /nfs/dbraw/zinc/27/79/84/579277984.db2.gz AKHSDZMIVOXMMZ-FGTMMUONSA-N 1 1 348.491 0.977 20 30 ECEDMO C#C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H]1CCCO1 ZINC000776229962 579278215 /nfs/dbraw/zinc/27/82/15/579278215.db2.gz HVAMSJOVHHHQES-ARFHVFGLSA-N 1 1 348.447 0.115 20 30 ECEDMO C[C@@H]1CN=C(NN=Cc2ccc(C=NNC3=[NH+]C[C@@H](C)N3)cc2)N1 ZINC000779791420 579320819 /nfs/dbraw/zinc/32/08/19/579320819.db2.gz CLYDTRXFIXAJPC-VXGBXAGGSA-N 1 1 326.408 0.229 20 30 ECEDMO CCNC(=O)COc1ccc(C=NNC2=[NH+]C[C@H](C)N2)cc1OC ZINC000779791972 579320872 /nfs/dbraw/zinc/32/08/72/579320872.db2.gz HDWULLYBPCGEHU-NSHDSACASA-N 1 1 333.392 0.481 20 30 ECEDMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000761045898 579520024 /nfs/dbraw/zinc/52/00/24/579520024.db2.gz AAOSQBFNHDVEFE-GFCCVEGCSA-N 1 1 334.351 0.877 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)c1 ZINC000742238729 579783678 /nfs/dbraw/zinc/78/36/78/579783678.db2.gz ASBZWMGKDZJBKB-AWEZNQCLSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000744364598 579808862 /nfs/dbraw/zinc/80/88/62/579808862.db2.gz RHSXIQGYBUSSAY-UHFFFAOYSA-N 1 1 341.477 0.360 20 30 ECEDMO Cc1cccc(NCCNC(=O)CCNC(=O)C2N=CC=CC2=O)[nH+]1 ZINC000746317018 579835965 /nfs/dbraw/zinc/83/59/65/579835965.db2.gz TZXBAULJTAOXDW-WUKNDPDISA-N 1 1 343.387 0.835 20 30 ECEDMO C#CC[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837943274 588966510 /nfs/dbraw/zinc/96/65/10/588966510.db2.gz ODLQJBLIRXUYGE-JKSUJKDBSA-N 1 1 330.384 0.569 20 30 ECEDMO C#CC[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837943274 588966512 /nfs/dbraw/zinc/96/65/12/588966512.db2.gz ODLQJBLIRXUYGE-JKSUJKDBSA-N 1 1 330.384 0.569 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000841215208 588982741 /nfs/dbraw/zinc/98/27/41/588982741.db2.gz KZJSALMENUOBCS-UHFFFAOYSA-N 1 1 329.278 0.486 20 30 ECEDMO CS(=O)(=O)c1ccc(C=NNCCC[NH+]2CCOCC2)s1 ZINC000841637656 588996603 /nfs/dbraw/zinc/99/66/03/588996603.db2.gz UOECOQNBBXVOKH-UHFFFAOYSA-N 1 1 331.463 0.797 20 30 ECEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCC(=O)OC)cc1 ZINC000841892051 589004555 /nfs/dbraw/zinc/00/45/55/589004555.db2.gz CGWLKVYUWDPNPQ-MRXNPFEDSA-N 1 1 330.384 0.952 20 30 ECEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCC(=O)OC)cc1 ZINC000841892051 589004556 /nfs/dbraw/zinc/00/45/56/589004556.db2.gz CGWLKVYUWDPNPQ-MRXNPFEDSA-N 1 1 330.384 0.952 20 30 ECEDMO C#CC1(O)CN(C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000890527373 586052285 /nfs/dbraw/zinc/05/22/85/586052285.db2.gz RLDWIESRPKIMTJ-CVEARBPZSA-N 1 1 330.432 0.441 20 30 ECEDMO C#CCNS(=O)(=O)N1CCN(c2[nH+]cnc3[nH]cc(CC)c32)CC1 ZINC000895057162 586158659 /nfs/dbraw/zinc/15/86/59/586158659.db2.gz DZYQWUYLZOHYCK-UHFFFAOYSA-N 1 1 348.432 0.110 20 30 ECEDMO CN1CC[NH+](C(C)(C)CNC(=O)NCC#C[C@@H]2CCCCO2)CC1 ZINC000891745373 586193103 /nfs/dbraw/zinc/19/31/03/586193103.db2.gz ABOGXHMQDJKCSV-INIZCTEOSA-N 1 1 336.480 0.884 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ncnc3[nH]cc(CC)c32)CC1 ZINC000892515655 586270873 /nfs/dbraw/zinc/27/08/73/586270873.db2.gz WIRMQNOHJLJSJA-UHFFFAOYSA-N 1 1 340.431 0.782 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ncnc3[nH]cc(CC)c32)CC1 ZINC000892515655 586270875 /nfs/dbraw/zinc/27/08/75/586270875.db2.gz WIRMQNOHJLJSJA-UHFFFAOYSA-N 1 1 340.431 0.782 20 30 ECEDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cnn(CCC#N)c2C)CC1 ZINC000896797856 586272189 /nfs/dbraw/zinc/27/21/89/586272189.db2.gz MKDZJCUQADLXBV-ZDUSSCGKSA-N 1 1 347.419 0.815 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000897490737 586333313 /nfs/dbraw/zinc/33/33/13/586333313.db2.gz MEVYIVIQNHHXHP-KBPBESRZSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000897490737 586333315 /nfs/dbraw/zinc/33/33/15/586333315.db2.gz MEVYIVIQNHHXHP-KBPBESRZSA-N 1 1 327.450 0.303 20 30 ECEDMO C[C@](N)(C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)c1ccc(Br)cc1 ZINC000841849947 586380515 /nfs/dbraw/zinc/38/05/15/586380515.db2.gz QJXWDSCSKTXMOJ-GAJTVXKRSA-N 1 1 337.221 0.851 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)C1 ZINC000900726963 586657126 /nfs/dbraw/zinc/65/71/26/586657126.db2.gz YMWYJILFWKVPSH-LJQANCHMSA-N 1 1 341.455 0.882 20 30 ECEDMO C[N@H+]1CCCC[C@H]1CCC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000900717264 586658834 /nfs/dbraw/zinc/65/88/34/586658834.db2.gz BPEZRCUVKXMQMU-IJEWVQPXSA-N 1 1 339.461 0.648 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCSC[C@@H]2C#N)C1 ZINC000901323286 586708323 /nfs/dbraw/zinc/70/83/23/586708323.db2.gz QNLJZZGHBYQNHQ-STQMWFEESA-N 1 1 325.434 0.729 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCSC[C@@H]2C#N)C1 ZINC000901323286 586708325 /nfs/dbraw/zinc/70/83/25/586708325.db2.gz QNLJZZGHBYQNHQ-STQMWFEESA-N 1 1 325.434 0.729 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cccc(C#CCO)c1 ZINC000907588747 586741281 /nfs/dbraw/zinc/74/12/81/586741281.db2.gz QSLDGWFNFVDSNA-OAHLLOKOSA-N 1 1 330.428 0.948 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000838543468 586815011 /nfs/dbraw/zinc/81/50/11/586815011.db2.gz CTTYPFCKRVSFMC-CYBMUJFWSA-N 1 1 329.466 0.713 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000838543468 586815014 /nfs/dbraw/zinc/81/50/14/586815014.db2.gz CTTYPFCKRVSFMC-CYBMUJFWSA-N 1 1 329.466 0.713 20 30 ECEDMO C#CCCCS(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000804983053 586868157 /nfs/dbraw/zinc/86/81/57/586868157.db2.gz JIZNRTXMDYDRDK-CQSZACIVSA-N 1 1 329.466 0.262 20 30 ECEDMO C#CCCCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000804983053 586868158 /nfs/dbraw/zinc/86/81/58/586868158.db2.gz JIZNRTXMDYDRDK-CQSZACIVSA-N 1 1 329.466 0.262 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2cnc3n2CCOC3)c1 ZINC000905699596 586909430 /nfs/dbraw/zinc/90/94/30/586909430.db2.gz KBNYZTLPUZFTFP-UHFFFAOYSA-N 1 1 346.412 0.848 20 30 ECEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905910325 586925168 /nfs/dbraw/zinc/92/51/68/586925168.db2.gz ASIUVHNEYRFPEK-PKOBYXMFSA-N 1 1 345.443 0.973 20 30 ECEDMO COc1cccc([C@H](C#N)NC(=O)C2CN(C)CC[N@@H+](C)C2)c1OC ZINC000906576730 586956452 /nfs/dbraw/zinc/95/64/52/586956452.db2.gz GFAQAQIRHVOAPH-HNNXBMFYSA-N 1 1 346.431 0.878 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000907064449 587011456 /nfs/dbraw/zinc/01/14/56/587011456.db2.gz BADKVCWFPKBJPL-UHFFFAOYSA-N 1 1 330.413 0.912 20 30 ECEDMO C=CCN1CCN(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)C1=O ZINC000839973149 587024410 /nfs/dbraw/zinc/02/44/10/587024410.db2.gz IZYOKRJDILMYFW-LSDHHAIUSA-N 1 1 338.452 0.731 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806594816 587101276 /nfs/dbraw/zinc/10/12/76/587101276.db2.gz RRNNJNDQNNVZSP-LBPRGKRZSA-N 1 1 331.338 0.707 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCCO1 ZINC000809304993 587173504 /nfs/dbraw/zinc/17/35/04/587173504.db2.gz UUQDGCONXRJGOA-FZKCQIBNSA-N 1 1 335.448 0.663 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CCCc2n[nH]cc21 ZINC000814728322 587278833 /nfs/dbraw/zinc/27/88/33/587278833.db2.gz SRTKOIQLQVWZMA-UHFFFAOYSA-N 1 1 336.465 0.637 20 30 ECEDMO C[C@@H]1C(=NNC(=S)NCC(N)=O)CCC[N@H+]1Cc1ccccc1 ZINC000814844824 587279605 /nfs/dbraw/zinc/27/96/05/587279605.db2.gz QKVBRCBBVJPJTB-GFCCVEGCSA-N 1 1 333.461 0.976 20 30 ECEDMO C[C@@H]1C(=NNC(=S)NCC(N)=O)CCC[N@@H+]1Cc1ccccc1 ZINC000814844824 587279606 /nfs/dbraw/zinc/27/96/06/587279606.db2.gz QKVBRCBBVJPJTB-GFCCVEGCSA-N 1 1 333.461 0.976 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000815705318 587296765 /nfs/dbraw/zinc/29/67/65/587296765.db2.gz GMYIXPJECKCDTK-XJKSGUPXSA-N 1 1 327.384 0.800 20 30 ECEDMO C#C[C@H](CO)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000823316005 587715511 /nfs/dbraw/zinc/71/55/11/587715511.db2.gz SZDOGTQYBDUKBO-LMMKCTJWSA-N 1 1 328.412 0.635 20 30 ECEDMO C#C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000823316004 587715600 /nfs/dbraw/zinc/71/56/00/587715600.db2.gz SZDOGTQYBDUKBO-AOIWGVFYSA-N 1 1 328.412 0.635 20 30 ECEDMO C#CC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000826951577 588091474 /nfs/dbraw/zinc/09/14/74/588091474.db2.gz NDEPWIPBZNLOBO-UHFFFAOYSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000827707453 588136629 /nfs/dbraw/zinc/13/66/29/588136629.db2.gz PXHVFNZGTKQDQJ-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCN1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C)CC1 ZINC000828243099 588167379 /nfs/dbraw/zinc/16/73/79/588167379.db2.gz PVZBUKRMGZZZQZ-CABCVRRESA-N 1 1 330.436 0.106 20 30 ECEDMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000829974978 588351419 /nfs/dbraw/zinc/35/14/19/588351419.db2.gz MXGPECCZYQANKF-XJKSGUPXSA-N 1 1 338.408 0.026 20 30 ECEDMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000829974978 588351421 /nfs/dbraw/zinc/35/14/21/588351421.db2.gz MXGPECCZYQANKF-XJKSGUPXSA-N 1 1 338.408 0.026 20 30 ECEDMO C#CCN(CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000832548161 588488475 /nfs/dbraw/zinc/48/84/75/588488475.db2.gz QSYPWDMPKMLHFM-AWEZNQCLSA-N 1 1 339.436 0.382 20 30 ECEDMO C#CCN(CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000832548161 588488477 /nfs/dbraw/zinc/48/84/77/588488477.db2.gz QSYPWDMPKMLHFM-AWEZNQCLSA-N 1 1 339.436 0.382 20 30 ECEDMO Cn1c(C=NNC(=S)NCCC[NH+]2CCOCC2)cnc1Cl ZINC000848400304 589292763 /nfs/dbraw/zinc/29/27/63/589292763.db2.gz GHMZORREEWMUBR-UHFFFAOYSA-N 1 1 344.872 0.594 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccncc1 ZINC000848932858 589316212 /nfs/dbraw/zinc/31/62/12/589316212.db2.gz CNRYHUBGGSTULI-XHSDSOJGSA-N 1 1 344.415 0.092 20 30 ECEDMO C#CC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594628 589342508 /nfs/dbraw/zinc/34/25/08/589342508.db2.gz GMGZJZIBXJOYBA-IKGGRYGDSA-N 1 1 332.448 0.734 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(C2CCOCC2)n1 ZINC000850459820 589367367 /nfs/dbraw/zinc/36/73/67/589367367.db2.gz HHQSRRXHABWLQP-UHFFFAOYSA-N 1 1 347.419 0.244 20 30 ECEDMO C#C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000852128673 589445132 /nfs/dbraw/zinc/44/51/32/589445132.db2.gz WBDKKIKUWYTAGQ-WMZOPIPTSA-N 1 1 348.491 0.883 20 30 ECEDMO C#C[C@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000852128673 589445133 /nfs/dbraw/zinc/44/51/33/589445133.db2.gz WBDKKIKUWYTAGQ-WMZOPIPTSA-N 1 1 348.491 0.883 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000852752422 589510091 /nfs/dbraw/zinc/51/00/91/589510091.db2.gz YCQXOCADLHBLJN-UHFFFAOYSA-N 1 1 343.383 0.823 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000852752422 589510093 /nfs/dbraw/zinc/51/00/93/589510093.db2.gz YCQXOCADLHBLJN-UHFFFAOYSA-N 1 1 343.383 0.823 20 30 ECEDMO C#CCC[N@H+](CCOC)C[C@H](O)Cn1c(-c2ccccc2)noc1=O ZINC000852751724 589510163 /nfs/dbraw/zinc/51/01/63/589510163.db2.gz KQQIPZYSZCETOI-INIZCTEOSA-N 1 1 345.399 0.836 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000852752788 589510367 /nfs/dbraw/zinc/51/03/67/589510367.db2.gz LTBMYKFQRYZNRF-HNNXBMFYSA-N 1 1 332.400 0.914 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000852752788 589510369 /nfs/dbraw/zinc/51/03/69/589510369.db2.gz LTBMYKFQRYZNRF-HNNXBMFYSA-N 1 1 332.400 0.914 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000854248261 589576612 /nfs/dbraw/zinc/57/66/12/589576612.db2.gz SHYYVYDMKYZSHA-KGLIPLIRSA-N 1 1 341.477 0.691 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000854248261 589576614 /nfs/dbraw/zinc/57/66/14/589576614.db2.gz SHYYVYDMKYZSHA-KGLIPLIRSA-N 1 1 341.477 0.691 20 30 ECEDMO Cn1nccc1[C@@H](O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000856803180 589676518 /nfs/dbraw/zinc/67/65/18/589676518.db2.gz CJXGMKDIMPIPDN-ROUUACIJSA-N 1 1 345.447 0.974 20 30 ECEDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000866765471 589771614 /nfs/dbraw/zinc/77/16/14/589771614.db2.gz VTNGHEBCFGJUFU-ZDUSSCGKSA-N 1 1 341.364 0.223 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCS(=O)(=O)C1 ZINC000867948686 589864420 /nfs/dbraw/zinc/86/44/20/589864420.db2.gz BQPALMCGWSIVPS-ZBFHGGJFSA-N 1 1 333.413 0.438 20 30 ECEDMO CCC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867975608 589866290 /nfs/dbraw/zinc/86/62/90/589866290.db2.gz OAFZQHUIRLDPBM-HZPDHXFCSA-N 1 1 326.400 0.872 20 30 ECEDMO CON(C)C(=O)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000863587304 590025251 /nfs/dbraw/zinc/02/52/51/590025251.db2.gz UYCRETAOQLOARA-LLVKDONJSA-N 1 1 325.390 0.330 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000863786964 590038340 /nfs/dbraw/zinc/03/83/40/590038340.db2.gz LDSDHDQZLMHORZ-GVDBMIGSSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCc3nc(COC)nn3C2)C1 ZINC000888559161 590053479 /nfs/dbraw/zinc/05/34/79/590053479.db2.gz KSQJPGMSDULCTJ-KGLIPLIRSA-N 1 1 346.435 0.136 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCc3nc(COC)nn3C2)C1 ZINC000888559161 590053482 /nfs/dbraw/zinc/05/34/82/590053482.db2.gz KSQJPGMSDULCTJ-KGLIPLIRSA-N 1 1 346.435 0.136 20 30 ECEDMO C#CCNC(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCC(=O)N(CC2CCC2)C1 ZINC000871773659 590086815 /nfs/dbraw/zinc/08/68/15/590086815.db2.gz ZGGLVBPEHMKHQZ-GXTWGEPZSA-N 1 1 334.420 0.661 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000865084537 590124127 /nfs/dbraw/zinc/12/41/27/590124127.db2.gz CMDYZQQTKCPUBX-AWEZNQCLSA-N 1 1 339.436 0.430 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872616997 590133881 /nfs/dbraw/zinc/13/38/81/590133881.db2.gz HWJGUMRWEPGFKG-LSDHHAIUSA-N 1 1 335.429 0.696 20 30 ECEDMO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(C#N)c1 ZINC000872618573 590134371 /nfs/dbraw/zinc/13/43/71/590134371.db2.gz ZZPVZWQIZCISTL-LSDHHAIUSA-N 1 1 335.429 0.696 20 30 ECEDMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000872926050 590174650 /nfs/dbraw/zinc/17/46/50/590174650.db2.gz BGPAZLTXMGNJNF-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO C=CC(C)(C)CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000875333330 590293944 /nfs/dbraw/zinc/29/39/44/590293944.db2.gz FKYGOBKECRLPMR-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC(C)(C)CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000875333330 590293945 /nfs/dbraw/zinc/29/39/45/590293945.db2.gz FKYGOBKECRLPMR-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879435837 590311746 /nfs/dbraw/zinc/31/17/46/590311746.db2.gz VCDRFVHLCRMQLA-CYBMUJFWSA-N 1 1 332.404 0.893 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000875595893 590311859 /nfs/dbraw/zinc/31/18/59/590311859.db2.gz FHJSYWBXPQWYOQ-GOEBONIOSA-N 1 1 335.448 0.664 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](O)CC(C)(C)C2)CC1 ZINC000879623098 590330200 /nfs/dbraw/zinc/33/02/00/590330200.db2.gz RNIJJUJGYFBWHZ-HZPDHXFCSA-N 1 1 336.480 0.772 20 30 ECEDMO N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CC([N@@H+]3CC[C@@H](O)C3)C1)C2 ZINC000876278565 590371175 /nfs/dbraw/zinc/37/11/75/590371175.db2.gz FVBHNDLPORCFLY-DOTOQJQBSA-N 1 1 326.400 0.486 20 30 ECEDMO N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CC([N@H+]3CC[C@@H](O)C3)C1)C2 ZINC000876278565 590371178 /nfs/dbraw/zinc/37/11/78/590371178.db2.gz FVBHNDLPORCFLY-DOTOQJQBSA-N 1 1 326.400 0.486 20 30 ECEDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143016 590371720 /nfs/dbraw/zinc/37/17/20/590371720.db2.gz XJXSKXHIXFAJDL-CABCVRRESA-N 1 1 334.445 0.895 20 30 ECEDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143016 590371725 /nfs/dbraw/zinc/37/17/25/590371725.db2.gz XJXSKXHIXFAJDL-CABCVRRESA-N 1 1 334.445 0.895 20 30 ECEDMO COCCC[N@H+](C)CCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876770909 590412376 /nfs/dbraw/zinc/41/23/76/590412376.db2.gz KMFSFGOXWIKWFB-QGZVFWFLSA-N 1 1 330.432 0.830 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876770909 590412378 /nfs/dbraw/zinc/41/23/78/590412378.db2.gz KMFSFGOXWIKWFB-QGZVFWFLSA-N 1 1 330.432 0.830 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881251816 590443161 /nfs/dbraw/zinc/44/31/61/590443161.db2.gz OTWRSLOJOMQMKO-OAHLLOKOSA-N 1 1 348.451 0.551 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878315017 590514818 /nfs/dbraw/zinc/51/48/18/590514818.db2.gz DCCDIJANDKENCD-ZDUSSCGKSA-N 1 1 335.420 0.897 20 30 ECEDMO C#CCC(CC#C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882634672 590565948 /nfs/dbraw/zinc/56/59/48/590565948.db2.gz IKWOPEGZQLSVTH-GOSISDBHSA-N 1 1 331.460 0.562 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(c3ccc(C#N)cc3CS(N)(=O)=O)CC[C@@H]21 ZINC000882698304 590575453 /nfs/dbraw/zinc/57/54/53/590575453.db2.gz JBDKCDBDWCFLIL-ZFWWWQNUSA-N 1 1 334.445 0.877 20 30 ECEDMO C#CCC1(O)CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000883096973 590604820 /nfs/dbraw/zinc/60/48/20/590604820.db2.gz XRUNDHOABASIDB-INIZCTEOSA-N 1 1 337.464 0.903 20 30 ECEDMO C=C(Cl)CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883490797 590621779 /nfs/dbraw/zinc/62/17/79/590621779.db2.gz ZQGRPRJIYBZHCJ-CQSZACIVSA-N 1 1 330.860 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(C(=O)NC)cc2)C1 ZINC000884048852 590719260 /nfs/dbraw/zinc/71/92/60/590719260.db2.gz XZMKBEUJPSONNI-INIZCTEOSA-N 1 1 328.416 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C(=O)NC)cc2)C1 ZINC000884048852 590719263 /nfs/dbraw/zinc/71/92/63/590719263.db2.gz XZMKBEUJPSONNI-INIZCTEOSA-N 1 1 328.416 0.943 20 30 ECEDMO CC(C)CN1CCO[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884180232 590765260 /nfs/dbraw/zinc/76/52/60/590765260.db2.gz QQGCOUJKVXVMDO-GARNVTTQSA-N 1 1 334.464 0.599 20 30 ECEDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885952080 590783870 /nfs/dbraw/zinc/78/38/70/590783870.db2.gz WFGRCQRCCIBREO-ZIAGYGMSSA-N 1 1 329.466 0.835 20 30 ECEDMO CC(C)(O)C[NH+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000136837807 590796563 /nfs/dbraw/zinc/79/65/63/590796563.db2.gz IHFGJUTVDFCXPA-UHFFFAOYSA-N 1 1 330.384 0.682 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(CC(N)=O)cc2)C1 ZINC000884356486 590812564 /nfs/dbraw/zinc/81/25/64/590812564.db2.gz GJKHWWXHUVBEOH-MRXNPFEDSA-N 1 1 328.416 0.611 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(CC(N)=O)cc2)C1 ZINC000884356486 590812566 /nfs/dbraw/zinc/81/25/66/590812566.db2.gz GJKHWWXHUVBEOH-MRXNPFEDSA-N 1 1 328.416 0.611 20 30 ECEDMO COCC(COC)[NH+]1CCN(C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886244936 590818342 /nfs/dbraw/zinc/81/83/42/590818342.db2.gz FMYXBOIFCSQOEC-MRXNPFEDSA-N 1 1 325.453 0.710 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000886361760 590835604 /nfs/dbraw/zinc/83/56/04/590835604.db2.gz UVMUBUSBGLTITL-HNNXBMFYSA-N 1 1 341.415 0.849 20 30 ECEDMO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1COC[C@H]1O ZINC000886512917 590855114 /nfs/dbraw/zinc/85/51/14/590855114.db2.gz PIMGZFLNKFYSJO-DAXOMENPSA-N 1 1 338.367 0.915 20 30 ECEDMO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1COC[C@H]1O ZINC000886512917 590855116 /nfs/dbraw/zinc/85/51/16/590855116.db2.gz PIMGZFLNKFYSJO-DAXOMENPSA-N 1 1 338.367 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](Nc2ccnc(C(=O)N3CCOCC3)c2)C1 ZINC000884610409 590870988 /nfs/dbraw/zinc/87/09/88/590870988.db2.gz LOJDMNKSIQXRPA-INIZCTEOSA-N 1 1 328.416 0.485 20 30 ECEDMO C=CCC1(O)CC[NH+](CC2=C(C(=O)OCC)[C@@H](C)NC(=O)N2)CC1 ZINC000886755684 590880303 /nfs/dbraw/zinc/88/03/03/590880303.db2.gz PGLZWNJBOAAUSJ-GFCCVEGCSA-N 1 1 337.420 0.908 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)C1 ZINC000890365757 591152084 /nfs/dbraw/zinc/15/20/84/591152084.db2.gz YKTUGBGEJOQOEC-HDMKZQKVSA-N 1 1 349.431 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)C1 ZINC000890365757 591152088 /nfs/dbraw/zinc/15/20/88/591152088.db2.gz YKTUGBGEJOQOEC-HDMKZQKVSA-N 1 1 349.431 0.305 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000890367996 591152663 /nfs/dbraw/zinc/15/26/63/591152663.db2.gz ZSZXHCLZIQHWML-HOTGVXAUSA-N 1 1 336.480 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)C1 ZINC000890368173 591152881 /nfs/dbraw/zinc/15/28/81/591152881.db2.gz DOEPPCLRWGRUBL-PMPSAXMXSA-N 1 1 332.448 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)C1 ZINC000890368173 591152882 /nfs/dbraw/zinc/15/28/82/591152882.db2.gz DOEPPCLRWGRUBL-PMPSAXMXSA-N 1 1 332.448 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@]2(O)C[C@@H](OCC)C2(C)C)C1 ZINC000890367814 591153467 /nfs/dbraw/zinc/15/34/67/591153467.db2.gz UTNGSYNCALFDLD-HDMKZQKVSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@]2(O)C[C@@H](OCC)C2(C)C)C1 ZINC000890367814 591153470 /nfs/dbraw/zinc/15/34/70/591153470.db2.gz UTNGSYNCALFDLD-HDMKZQKVSA-N 1 1 337.464 0.949 20 30 ECEDMO C[N@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cccc(CC#N)n2)C1 ZINC000890402088 591156389 /nfs/dbraw/zinc/15/63/89/591156389.db2.gz OVZPVHWEFAEHEB-ZDUSSCGKSA-N 1 1 329.404 0.934 20 30 ECEDMO C#CCOc1ccccc1C[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000922493654 611352842 /nfs/dbraw/zinc/35/28/42/611352842.db2.gz MJWRXNKTMWSZLK-UHFFFAOYSA-N 1 1 344.458 0.846 20 30 ECEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000922518251 611353154 /nfs/dbraw/zinc/35/31/54/611353154.db2.gz WNDAQIUUUBGABT-GZBFAFLISA-N 1 1 342.465 0.295 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946605676 611362109 /nfs/dbraw/zinc/36/21/09/611362109.db2.gz UZELJIGYQIEEDY-BETUJISGSA-N 1 1 346.880 0.954 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946605676 611362110 /nfs/dbraw/zinc/36/21/10/611362110.db2.gz UZELJIGYQIEEDY-BETUJISGSA-N 1 1 346.880 0.954 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946612509 611363817 /nfs/dbraw/zinc/36/38/17/611363817.db2.gz LHOXFBZNZBWYJO-SOUVJXGZSA-N 1 1 333.432 0.880 20 30 ECEDMO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000930058637 611385496 /nfs/dbraw/zinc/38/54/96/611385496.db2.gz QTCNHZGSACRMFM-UHFFFAOYSA-N 1 1 330.388 0.845 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CC2(O)CCC2)CC1 ZINC000946680985 611411543 /nfs/dbraw/zinc/41/15/43/611411543.db2.gz HRWBSYWNHWXNDJ-INIZCTEOSA-N 1 1 347.459 0.496 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CC2(O)CCC2)CC1 ZINC000946680985 611411547 /nfs/dbraw/zinc/41/15/47/611411547.db2.gz HRWBSYWNHWXNDJ-INIZCTEOSA-N 1 1 347.459 0.496 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)CC[C@@H]2C1 ZINC000946689423 611414700 /nfs/dbraw/zinc/41/47/00/611414700.db2.gz CNRKLVVZJMJPBR-IYBDPMFKSA-N 1 1 347.463 0.718 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000946699656 611423299 /nfs/dbraw/zinc/42/32/99/611423299.db2.gz YOXIULBEGKQCQI-MRXNPFEDSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000946699656 611423301 /nfs/dbraw/zinc/42/33/01/611423301.db2.gz YOXIULBEGKQCQI-MRXNPFEDSA-N 1 1 333.432 0.228 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(CC#N)C[C@H]3CC2)C1 ZINC000946731204 611441168 /nfs/dbraw/zinc/44/11/68/611441168.db2.gz GINZLZLUQZVYSI-IXDOHACOSA-N 1 1 334.464 0.790 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(CC#N)C[C@H]3CC2)C1 ZINC000946731204 611441170 /nfs/dbraw/zinc/44/11/70/611441170.db2.gz GINZLZLUQZVYSI-IXDOHACOSA-N 1 1 334.464 0.790 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947174538 611448754 /nfs/dbraw/zinc/44/87/54/611448754.db2.gz NABDTWUZZQYDHZ-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000930768810 611462506 /nfs/dbraw/zinc/46/25/06/611462506.db2.gz KAKIYBDZTBMJCP-GJZGRUSLSA-N 1 1 337.464 0.932 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC[N@H+]1C ZINC000925352240 611474341 /nfs/dbraw/zinc/47/43/41/611474341.db2.gz CKWDAGLZUHIBDE-CZUORRHYSA-N 1 1 328.420 0.877 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3cnn(C)n3)CC[C@@H]2C1 ZINC000946781896 611474842 /nfs/dbraw/zinc/47/48/42/611474842.db2.gz GJWAGKARFGUFOB-IYBDPMFKSA-N 1 1 329.448 0.941 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC[C@@H]2C1 ZINC000946784393 611475793 /nfs/dbraw/zinc/47/57/93/611475793.db2.gz JDEFJUZBFTZOAD-OKILXGFUSA-N 1 1 328.416 0.921 20 30 ECEDMO N#Cc1sccc1N1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000930928766 611483646 /nfs/dbraw/zinc/48/36/46/611483646.db2.gz VCZNIKGCWYJBON-HNNXBMFYSA-N 1 1 337.445 0.644 20 30 ECEDMO N#Cc1sccc1N1CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000930929857 611483784 /nfs/dbraw/zinc/48/37/84/611483784.db2.gz ZWZLROQLQOUNCD-CZUORRHYSA-N 1 1 337.445 0.644 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947369409 611501721 /nfs/dbraw/zinc/50/17/21/611501721.db2.gz LURQQOLXLMZIAR-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C ZINC000947441327 611539169 /nfs/dbraw/zinc/53/91/69/611539169.db2.gz IKAJSUHQURPZFD-OCCSQVGLSA-N 1 1 326.462 0.966 20 30 ECEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000931601028 611553179 /nfs/dbraw/zinc/55/31/79/611553179.db2.gz SGCPEKKBQMCPCN-AWEZNQCLSA-N 1 1 332.379 0.866 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCCS2(=O)=O)CC1 ZINC000948421617 611585815 /nfs/dbraw/zinc/58/58/15/611585815.db2.gz XATSGCIJZNJOTB-HNNXBMFYSA-N 1 1 341.477 0.358 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@@H]1C ZINC000947560693 611595870 /nfs/dbraw/zinc/59/58/70/611595870.db2.gz TWYMYAFWOZQNFF-KBPBESRZSA-N 1 1 341.415 0.937 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@@H]1C ZINC000947560696 611595904 /nfs/dbraw/zinc/59/59/04/611595904.db2.gz TWYMYAFWOZQNFF-UONOGXRCSA-N 1 1 341.415 0.937 20 30 ECEDMO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]21 ZINC000932063747 611597986 /nfs/dbraw/zinc/59/79/86/611597986.db2.gz SYIJESITJOUCJH-IJEWVQPXSA-N 1 1 332.404 0.773 20 30 ECEDMO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]21 ZINC000932063747 611597988 /nfs/dbraw/zinc/59/79/88/611597988.db2.gz SYIJESITJOUCJH-IJEWVQPXSA-N 1 1 332.404 0.773 20 30 ECEDMO C#CC[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C(C)(C)C ZINC000932462618 611630146 /nfs/dbraw/zinc/63/01/46/611630146.db2.gz ASCWLBKLZQOXNM-UHFFFAOYSA-N 1 1 331.416 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)C[C@H]1C ZINC000947663028 611640828 /nfs/dbraw/zinc/64/08/28/611640828.db2.gz OLFJSRPBYKTYRT-CHWSQXEVSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccns1 ZINC000937338790 608599640 /nfs/dbraw/zinc/59/96/40/608599640.db2.gz JJVNBIFGQYPBEQ-IHRRRGAJSA-N 1 1 344.440 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccns1 ZINC000937338790 608599643 /nfs/dbraw/zinc/59/96/43/608599643.db2.gz JJVNBIFGQYPBEQ-IHRRRGAJSA-N 1 1 344.440 0.666 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C[C@H]1C ZINC000947383009 608632661 /nfs/dbraw/zinc/63/26/61/608632661.db2.gz JYLDREIQUSAGRV-VXGBXAGGSA-N 1 1 327.388 0.890 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)CN3CN=NC3=O)CC2)C1 ZINC000949343595 608645528 /nfs/dbraw/zinc/64/55/28/608645528.db2.gz JISLSRSYUIBFPA-UHFFFAOYSA-N 1 1 335.408 0.253 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC000949369127 608656125 /nfs/dbraw/zinc/65/61/25/608656125.db2.gz LJSOBIFZBLZFQU-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC000949369127 608656130 /nfs/dbraw/zinc/65/61/30/608656130.db2.gz LJSOBIFZBLZFQU-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)C#CC2CC2)C1 ZINC000937403235 608722187 /nfs/dbraw/zinc/72/21/87/608722187.db2.gz UHQNCBBBUMUKQV-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)C#CC2CC2)C1 ZINC000937403235 608722189 /nfs/dbraw/zinc/72/21/89/608722189.db2.gz UHQNCBBBUMUKQV-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccncc2)CC1 ZINC000947229724 608793098 /nfs/dbraw/zinc/79/30/98/608793098.db2.gz HCNPHXPMKVJJBE-KRWDZBQOSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccncc2)CC1 ZINC000947229724 608793101 /nfs/dbraw/zinc/79/31/01/608793101.db2.gz HCNPHXPMKVJJBE-KRWDZBQOSA-N 1 1 340.427 0.900 20 30 ECEDMO N#CC1(NC(=O)CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCCCC1 ZINC000934252974 608804272 /nfs/dbraw/zinc/80/42/72/608804272.db2.gz RQJPSPZBCDXART-JKSUJKDBSA-N 1 1 334.464 0.860 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1oncc1C ZINC000937501512 608830243 /nfs/dbraw/zinc/83/02/43/608830243.db2.gz DUQIVNNJQLHYSS-KKUMJFAQSA-N 1 1 342.399 0.506 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1oncc1C ZINC000937501512 608830248 /nfs/dbraw/zinc/83/02/48/608830248.db2.gz DUQIVNNJQLHYSS-KKUMJFAQSA-N 1 1 342.399 0.506 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000936985260 608848758 /nfs/dbraw/zinc/84/87/58/608848758.db2.gz KZUFMSZTGSDGNE-CVEARBPZSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000936985260 608848759 /nfs/dbraw/zinc/84/87/59/608848759.db2.gz KZUFMSZTGSDGNE-CVEARBPZSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2csnn2)CC1 ZINC000947553357 608890331 /nfs/dbraw/zinc/89/03/31/608890331.db2.gz IGPOUTRDOSLFGA-AWEZNQCLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2csnn2)CC1 ZINC000947553357 608890334 /nfs/dbraw/zinc/89/03/34/608890334.db2.gz IGPOUTRDOSLFGA-AWEZNQCLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC000936650275 608928136 /nfs/dbraw/zinc/92/81/36/608928136.db2.gz ZFQZAUIEBYFSSZ-WBVHZDCISA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC000936650275 608928139 /nfs/dbraw/zinc/92/81/39/608928139.db2.gz ZFQZAUIEBYFSSZ-WBVHZDCISA-N 1 1 342.443 0.796 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000947309120 608944909 /nfs/dbraw/zinc/94/49/09/608944909.db2.gz CGPSIYWWHRAARK-VXGBXAGGSA-N 1 1 345.432 0.776 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937066098 608947354 /nfs/dbraw/zinc/94/73/54/608947354.db2.gz SYOLSWGBHCKINX-KBPBESRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C[C@@H]1C ZINC000947722397 608964743 /nfs/dbraw/zinc/96/47/43/608964743.db2.gz JJKIJTPYWPIKCA-KBPBESRZSA-N 1 1 330.432 0.739 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cnnn1C ZINC000947217684 608965619 /nfs/dbraw/zinc/96/56/19/608965619.db2.gz PTOSDUCGGBNTOE-NEPJUHHUSA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cnnn1C ZINC000947217684 608965621 /nfs/dbraw/zinc/96/56/21/608965621.db2.gz PTOSDUCGGBNTOE-NEPJUHHUSA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CCn1cncn1 ZINC000947217930 608969456 /nfs/dbraw/zinc/96/94/56/608969456.db2.gz UCSBZJJMOADUMV-QWHCGFSZSA-N 1 1 327.392 0.761 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937181596 609020844 /nfs/dbraw/zinc/02/08/44/609020844.db2.gz PSHKQUSPELWAEC-AWEZNQCLSA-N 1 1 340.387 0.764 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947666254 609028814 /nfs/dbraw/zinc/02/88/14/609028814.db2.gz CNJAGOPDPMKLTC-SMDDNHRTSA-N 1 1 330.388 0.521 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937194738 609031250 /nfs/dbraw/zinc/03/12/50/609031250.db2.gz AHFYMJDZWORQEO-HUUCEWRRSA-N 1 1 329.404 0.653 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000937211976 609048600 /nfs/dbraw/zinc/04/86/00/609048600.db2.gz QXPJEKSBMYGSDR-DAXOMENPSA-N 1 1 343.431 0.899 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)cn1 ZINC000949144761 609081937 /nfs/dbraw/zinc/08/19/37/609081937.db2.gz VTUZCMZGNJSYCR-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000937797813 609089999 /nfs/dbraw/zinc/08/99/99/609089999.db2.gz BHRSAYQLFPSBHM-KWCYVHTRSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000928452757 611690007 /nfs/dbraw/zinc/69/00/07/611690007.db2.gz MOVUERPVMRJQTM-IUODEOHRSA-N 1 1 335.429 0.421 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@@H]1C ZINC000947796551 611694978 /nfs/dbraw/zinc/69/49/78/611694978.db2.gz OKRUNQAZVLECJS-GJZGRUSLSA-N 1 1 346.435 0.171 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC000938170549 609482172 /nfs/dbraw/zinc/48/21/72/609482172.db2.gz KAKJMXZXQNEHMF-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000938170549 609482175 /nfs/dbraw/zinc/48/21/75/609482175.db2.gz KAKJMXZXQNEHMF-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000938170549 609482177 /nfs/dbraw/zinc/48/21/77/609482177.db2.gz KAKJMXZXQNEHMF-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000938170827 609482422 /nfs/dbraw/zinc/48/24/22/609482422.db2.gz OWPRGCDEMRJGIT-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000938170827 609482425 /nfs/dbraw/zinc/48/24/25/609482425.db2.gz OWPRGCDEMRJGIT-GJZGRUSLSA-N 1 1 342.399 0.216 20 30 ECEDMO CCN1CC[NH+](CCCNC(=O)c2cccc(C#CCO)c2)CC1 ZINC000900192941 609527492 /nfs/dbraw/zinc/52/74/92/609527492.db2.gz UZZAGRSJTOQRSY-UHFFFAOYSA-N 1 1 329.444 0.788 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000907999679 609640013 /nfs/dbraw/zinc/64/00/13/609640013.db2.gz BWCRGFNFKRXXHS-IRXDYDNUSA-N 1 1 349.456 0.919 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccsc1C#N)[C@H]1C[N@H+](C)CCN1C ZINC000919979956 609668181 /nfs/dbraw/zinc/66/81/81/609668181.db2.gz AKTUSDFKGMJAQJ-WDEREUQCSA-N 1 1 328.463 0.532 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccsc1C#N)[C@H]1C[N@@H+](C)CCN1C ZINC000919979956 609668184 /nfs/dbraw/zinc/66/81/84/609668184.db2.gz AKTUSDFKGMJAQJ-WDEREUQCSA-N 1 1 328.463 0.532 20 30 ECEDMO C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)[C@H]1C[N@H+](C)CCN1C ZINC000920001570 609670439 /nfs/dbraw/zinc/67/04/39/609670439.db2.gz UZIXEWWNZXQAMY-UONOGXRCSA-N 1 1 328.482 0.624 20 30 ECEDMO C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000920001570 609670440 /nfs/dbraw/zinc/67/04/40/609670440.db2.gz UZIXEWWNZXQAMY-UONOGXRCSA-N 1 1 328.482 0.624 20 30 ECEDMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCC#CCO)C1 ZINC000923761444 609682885 /nfs/dbraw/zinc/68/28/85/609682885.db2.gz RKVSPHHWYBUZNY-QGZVFWFLSA-N 1 1 331.416 0.491 20 30 ECEDMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCC#CCO)C1 ZINC000923761444 609682888 /nfs/dbraw/zinc/68/28/88/609682888.db2.gz RKVSPHHWYBUZNY-QGZVFWFLSA-N 1 1 331.416 0.491 20 30 ECEDMO CN(C(=O)C(N)=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000948733015 611706135 /nfs/dbraw/zinc/70/61/35/611706135.db2.gz HOJSDCIFHSFSAE-AWEZNQCLSA-N 1 1 332.379 0.996 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000910285861 609714189 /nfs/dbraw/zinc/71/41/89/609714189.db2.gz VNWQRYGZGXALRU-WPCFGXOUSA-N 1 1 334.420 0.846 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)nc1 ZINC000938374476 609760432 /nfs/dbraw/zinc/76/04/32/609760432.db2.gz FRRAZSWTTYCMGU-HNNXBMFYSA-N 1 1 337.383 0.599 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)nn1 ZINC000948836767 609763800 /nfs/dbraw/zinc/76/38/00/609763800.db2.gz OOSHDXYBBRAYTQ-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000948850086 609769398 /nfs/dbraw/zinc/76/93/98/609769398.db2.gz WTZJMPSTLFKIQZ-GJZGRUSLSA-N 1 1 343.493 0.909 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C[C@H]1C ZINC000948030616 609774635 /nfs/dbraw/zinc/77/46/35/609774635.db2.gz HGBWOIXNQOKRKS-HUUCEWRRSA-N 1 1 343.493 0.262 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000948110444 609815599 /nfs/dbraw/zinc/81/55/99/609815599.db2.gz YYUUHRVLTOXMOT-ZFWWWQNUSA-N 1 1 336.436 0.362 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000948110444 609815600 /nfs/dbraw/zinc/81/56/00/609815600.db2.gz YYUUHRVLTOXMOT-ZFWWWQNUSA-N 1 1 336.436 0.362 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938545951 609860986 /nfs/dbraw/zinc/86/09/86/609860986.db2.gz QPSPEBGCNTYLKL-CQSZACIVSA-N 1 1 340.387 0.764 20 30 ECEDMO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000911870919 609917048 /nfs/dbraw/zinc/91/70/48/609917048.db2.gz HNKAQAKREIZRDV-FUHWJXTLSA-N 1 1 331.416 0.897 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(C)c(C#N)c1 ZINC000929895444 609919991 /nfs/dbraw/zinc/91/99/91/609919991.db2.gz RGLMRVRCXLJCAR-UHFFFAOYSA-N 1 1 332.404 0.177 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000938654438 609923120 /nfs/dbraw/zinc/92/31/20/609923120.db2.gz ZRXGFPXGWISUDL-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000938654438 609923121 /nfs/dbraw/zinc/92/31/21/609923121.db2.gz ZRXGFPXGWISUDL-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)C1 ZINC000923597553 609926595 /nfs/dbraw/zinc/92/65/95/609926595.db2.gz YHLHWOMABORIPP-KGLIPLIRSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)C1 ZINC000923597553 609926598 /nfs/dbraw/zinc/92/65/98/609926598.db2.gz YHLHWOMABORIPP-KGLIPLIRSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)Cc1noc2c1CCCC2 ZINC000915905816 609926963 /nfs/dbraw/zinc/92/69/63/609926963.db2.gz SSSLXVOCCZICRW-UHFFFAOYSA-N 1 1 325.434 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2occc2C)C1 ZINC000938701699 609944886 /nfs/dbraw/zinc/94/48/86/609944886.db2.gz YJPHHJHYNUPXSD-HOTGVXAUSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2occc2C)C1 ZINC000938701699 609944888 /nfs/dbraw/zinc/94/48/88/609944888.db2.gz YJPHHJHYNUPXSD-HOTGVXAUSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)OC(C)(C)C)nn2)C1 ZINC000923598828 609962119 /nfs/dbraw/zinc/96/21/19/609962119.db2.gz OHISANVNJUAEOJ-ZDUSSCGKSA-N 1 1 347.419 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)OC(C)(C)C)nn2)C1 ZINC000923598828 609962121 /nfs/dbraw/zinc/96/21/21/609962121.db2.gz OHISANVNJUAEOJ-ZDUSSCGKSA-N 1 1 347.419 0.447 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cocn2)C1 ZINC000938756408 609982000 /nfs/dbraw/zinc/98/20/00/609982000.db2.gz OWDSGDKPORXBSX-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cocn2)C1 ZINC000938756408 609982002 /nfs/dbraw/zinc/98/20/02/609982002.db2.gz OWDSGDKPORXBSX-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cnns2)C1 ZINC000938756863 609982692 /nfs/dbraw/zinc/98/26/92/609982692.db2.gz ZMYPIXXIMBVBNU-OLZOCXBDSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cnns2)C1 ZINC000938756863 609982696 /nfs/dbraw/zinc/98/26/96/609982696.db2.gz ZMYPIXXIMBVBNU-OLZOCXBDSA-N 1 1 347.444 0.309 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)CC[N@H+]1C ZINC000925336996 609993334 /nfs/dbraw/zinc/99/33/34/609993334.db2.gz VLYXEZNELLEGRE-UKRRQHHQSA-N 1 1 328.420 0.877 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000938862827 609994469 /nfs/dbraw/zinc/99/44/69/609994469.db2.gz BYRBGZISGDMKGY-FZKCQIBNSA-N 1 1 335.448 0.779 20 30 ECEDMO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000913041385 610031940 /nfs/dbraw/zinc/03/19/40/610031940.db2.gz SHYJTYBGUOPHAB-JKSUJKDBSA-N 1 1 326.400 0.728 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000919296839 610038568 /nfs/dbraw/zinc/03/85/68/610038568.db2.gz LJBUOXAWHNVIML-JKSUJKDBSA-N 1 1 345.447 0.276 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000919305283 610039509 /nfs/dbraw/zinc/03/95/09/610039509.db2.gz NBHRZBOGZJZFPO-UHFFFAOYSA-N 1 1 342.465 0.106 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)C(C)(C)C#N)C1 ZINC000919350852 610041714 /nfs/dbraw/zinc/04/17/14/610041714.db2.gz ZWEQRGRIWVOOKM-ZDUSSCGKSA-N 1 1 325.409 0.552 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC000938968783 610058754 /nfs/dbraw/zinc/05/87/54/610058754.db2.gz NWEUIBDPEXGXPT-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cnccn2)CC1 ZINC000940095400 610207059 /nfs/dbraw/zinc/20/70/59/610207059.db2.gz DSNKROKFUYIYDG-INIZCTEOSA-N 1 1 341.415 0.249 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cnccn2)CC1 ZINC000940095400 610207061 /nfs/dbraw/zinc/20/70/61/610207061.db2.gz DSNKROKFUYIYDG-INIZCTEOSA-N 1 1 341.415 0.249 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2(C)CCN(C(=O)c3[nH]nnc3C)CC2)C1=O ZINC000940248656 610249789 /nfs/dbraw/zinc/24/97/89/610249789.db2.gz DKHMDAWSHNMVBB-ZDUSSCGKSA-N 1 1 346.435 0.484 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CN3CCCCCCC3=O)CC2)C1 ZINC000941427512 610301283 /nfs/dbraw/zinc/30/12/83/610301283.db2.gz CIJKJRWBSUETFV-UHFFFAOYSA-N 1 1 348.491 0.794 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3ccnn3C)CC2)C1 ZINC000941410810 610301939 /nfs/dbraw/zinc/30/19/39/610301939.db2.gz NMQBENOVSKQAIQ-OAHLLOKOSA-N 1 1 329.448 0.375 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3nnn(C(C)(C)C)n3)CC2)C1 ZINC000941416640 610304659 /nfs/dbraw/zinc/30/46/59/610304659.db2.gz JVWQUQGUHTUKHF-UHFFFAOYSA-N 1 1 347.467 0.446 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccn(C(F)F)n3)CC2)C1 ZINC000941422406 610307513 /nfs/dbraw/zinc/30/75/13/610307513.db2.gz MHEDIXIRLOHGBN-UHFFFAOYSA-N 1 1 337.374 0.744 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC000941423231 610308181 /nfs/dbraw/zinc/30/81/81/610308181.db2.gz VBUZZYZZDQUTBO-INIZCTEOSA-N 1 1 348.491 0.648 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)C1 ZINC000941429005 610310839 /nfs/dbraw/zinc/31/08/39/610310839.db2.gz XSJMZDPTAYPFGN-HNNXBMFYSA-N 1 1 348.491 0.648 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000940596390 610310998 /nfs/dbraw/zinc/31/09/98/610310998.db2.gz NIDKSGGZAPXLOW-QAPCUYQASA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000940596390 610311000 /nfs/dbraw/zinc/31/10/00/610311000.db2.gz NIDKSGGZAPXLOW-QAPCUYQASA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4ncncc4C3)CC2)C1 ZINC000941432538 610312781 /nfs/dbraw/zinc/31/27/81/610312781.db2.gz DBZGRFIUDWPTFF-HNNXBMFYSA-N 1 1 341.459 0.596 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC000941432522 610312786 /nfs/dbraw/zinc/31/27/86/610312786.db2.gz CLWOQIAZDPLLEI-SFHVURJKSA-N 1 1 346.519 0.816 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941433248 610313628 /nfs/dbraw/zinc/31/36/28/610313628.db2.gz SWONTUVMCCLBKX-SFHVURJKSA-N 1 1 346.519 0.816 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940659400 610326741 /nfs/dbraw/zinc/32/67/41/610326741.db2.gz XSCHMDVIKJYPEE-OAHLLOKOSA-N 1 1 343.431 0.995 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940659400 610326742 /nfs/dbraw/zinc/32/67/42/610326742.db2.gz XSCHMDVIKJYPEE-OAHLLOKOSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3ccncc3)CC2)C1 ZINC000941471023 610329582 /nfs/dbraw/zinc/32/95/82/610329582.db2.gz NMKNOASPIBOYTR-UHFFFAOYSA-N 1 1 326.444 0.866 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2csnn2)CC1 ZINC000941464900 610333974 /nfs/dbraw/zinc/33/39/74/610333974.db2.gz BVCXKLMEVKMRDC-AWEZNQCLSA-N 1 1 347.444 0.310 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2csnn2)CC1 ZINC000941464900 610333975 /nfs/dbraw/zinc/33/39/75/610333975.db2.gz BVCXKLMEVKMRDC-AWEZNQCLSA-N 1 1 347.444 0.310 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC000941465866 610334188 /nfs/dbraw/zinc/33/41/88/610334188.db2.gz TZDYWSXWVITVJO-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC000941465866 610334189 /nfs/dbraw/zinc/33/41/89/610334189.db2.gz TZDYWSXWVITVJO-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000941485827 610338062 /nfs/dbraw/zinc/33/80/62/610338062.db2.gz BQODOQLGYJZPJY-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000941485827 610338064 /nfs/dbraw/zinc/33/80/64/610338064.db2.gz BQODOQLGYJZPJY-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc4nccn4c3)CC2)C1 ZINC000941487740 610339197 /nfs/dbraw/zinc/33/91/97/610339197.db2.gz QKIPYAIHDUWIDA-UHFFFAOYSA-N 1 1 338.415 0.195 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccn4nnnc4c3)CC2)C1 ZINC000941513594 610352741 /nfs/dbraw/zinc/35/27/41/610352741.db2.gz KGFPLQCYSONQQA-UHFFFAOYSA-N 1 1 341.419 0.142 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@H](C)C1 ZINC000942259823 610365042 /nfs/dbraw/zinc/36/50/42/610365042.db2.gz UNJFKAGAWWDCJS-DGCLKSJQSA-N 1 1 328.844 0.981 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@H](C)C1 ZINC000942259823 610365044 /nfs/dbraw/zinc/36/50/44/610365044.db2.gz UNJFKAGAWWDCJS-DGCLKSJQSA-N 1 1 328.844 0.981 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](C)C1 ZINC000942260683 610365206 /nfs/dbraw/zinc/36/52/06/610365206.db2.gz ZIEIXBHAIXDSIW-QWRGUYRKSA-N 1 1 325.390 0.000 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000940812327 610385600 /nfs/dbraw/zinc/38/56/00/610385600.db2.gz ARYWUGJCQOVOQP-UHFFFAOYSA-N 1 1 340.387 0.766 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000941592594 610388217 /nfs/dbraw/zinc/38/82/17/610388217.db2.gz JGZCGSFMCOBXJY-GJZGRUSLSA-N 1 1 334.464 0.293 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)C1 ZINC000941593033 610388678 /nfs/dbraw/zinc/38/86/78/610388678.db2.gz MXBXATVGSRYVFD-UHFFFAOYSA-N 1 1 327.432 0.982 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](C)C1 ZINC000942313087 610392441 /nfs/dbraw/zinc/39/24/41/610392441.db2.gz FJRPSSKBPRAPQE-KGLIPLIRSA-N 1 1 334.420 0.742 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn4cc(C)cnc34)CC2)C1 ZINC000941590015 610399047 /nfs/dbraw/zinc/39/90/47/610399047.db2.gz DKPKJVBGEIAILI-UHFFFAOYSA-N 1 1 340.431 0.666 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC000941590325 610399108 /nfs/dbraw/zinc/39/91/08/610399108.db2.gz KYOGGEJDUPUMGW-UHFFFAOYSA-N 1 1 329.448 0.468 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3sccn3c2=O)[C@@H](C)C1 ZINC000942341893 610412613 /nfs/dbraw/zinc/41/26/13/610412613.db2.gz CIXZVVHFTDHQKT-WCQYABFASA-N 1 1 330.413 0.829 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000941596680 610414008 /nfs/dbraw/zinc/41/40/08/610414008.db2.gz MUMRCVWLZAGKNX-HNNXBMFYSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn4ccccc4n3)CC2)C1 ZINC000941657092 610431229 /nfs/dbraw/zinc/43/12/29/610431229.db2.gz REJCUYLLZXANMJ-UHFFFAOYSA-N 1 1 337.427 0.800 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4cccnc4C3)CC2)C1 ZINC000941650802 610440952 /nfs/dbraw/zinc/44/09/52/610440952.db2.gz GXEUEBWJVASAMI-MRXNPFEDSA-N 1 1 326.444 0.811 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C(C)(C)C1 ZINC000940926641 610443066 /nfs/dbraw/zinc/44/30/66/610443066.db2.gz WHZUSYPVESYBKV-CQSZACIVSA-N 1 1 343.431 0.899 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cncc(C(N)=O)c3)CC2)C1 ZINC000941670328 610444141 /nfs/dbraw/zinc/44/41/41/610444141.db2.gz OBYHMFYBLKLRNB-UHFFFAOYSA-N 1 1 343.431 0.199 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cncnc3CC)CC2)C1 ZINC000941670329 610444216 /nfs/dbraw/zinc/44/42/16/610444216.db2.gz OCEDTYCRUYLPHZ-UHFFFAOYSA-N 1 1 327.432 0.504 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000941671898 610445205 /nfs/dbraw/zinc/44/52/05/610445205.db2.gz OGTSJFRMJDORFX-AWEZNQCLSA-N 1 1 329.448 0.529 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C3CCN(C(N)=O)CC3)CC2)C1 ZINC000941662148 610453538 /nfs/dbraw/zinc/45/35/38/610453538.db2.gz YUQQZBHAOPLGDF-UHFFFAOYSA-N 1 1 349.479 0.182 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3nnnc3c2)C(C)(C)C1 ZINC000940945259 610456813 /nfs/dbraw/zinc/45/68/13/610456813.db2.gz ZLCZKAPNBIRQMV-AWEZNQCLSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC000940963863 610468544 /nfs/dbraw/zinc/46/85/44/610468544.db2.gz GKQDZRMRGCVKRD-CQSZACIVSA-N 1 1 329.404 0.086 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](C)C1 ZINC000942543412 610505762 /nfs/dbraw/zinc/50/57/62/610505762.db2.gz VJCZVINZWKMTRH-GJZGRUSLSA-N 1 1 343.431 0.899 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](C)C1 ZINC000942543242 610506025 /nfs/dbraw/zinc/50/60/25/610506025.db2.gz RKNLMCNSDGJTBP-LSDHHAIUSA-N 1 1 341.415 0.346 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000941050281 610511380 /nfs/dbraw/zinc/51/13/80/610511380.db2.gz RZOAVGGDIRLXDY-CABCVRRESA-N 1 1 344.463 0.866 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C)C1 ZINC000942607635 610536566 /nfs/dbraw/zinc/53/65/66/610536566.db2.gz INVPYISVLLEJQK-KBPBESRZSA-N 1 1 348.447 0.721 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941942370 610571519 /nfs/dbraw/zinc/57/15/19/610571519.db2.gz IELAGZKBJHTBIS-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC000941176166 610576792 /nfs/dbraw/zinc/57/67/92/610576792.db2.gz FWTBWAIERRJLRO-MCIONIFRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC000941176166 610576794 /nfs/dbraw/zinc/57/67/94/610576794.db2.gz FWTBWAIERRJLRO-MCIONIFRSA-N 1 1 339.386 0.846 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)CC2(C)C)cn1 ZINC000941169687 610583688 /nfs/dbraw/zinc/58/36/88/610583688.db2.gz QAMHITRKURHNQW-HNNXBMFYSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)CC2(C)C)cn1 ZINC000941169687 610583689 /nfs/dbraw/zinc/58/36/89/610583689.db2.gz QAMHITRKURHNQW-HNNXBMFYSA-N 1 1 328.416 0.639 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)C1 ZINC000941205797 610595783 /nfs/dbraw/zinc/59/57/83/610595783.db2.gz DXXSKBMCPGRHFR-LBPRGKRZSA-N 1 1 329.404 0.429 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C(C)(C)C1 ZINC000941217412 610601255 /nfs/dbraw/zinc/60/12/55/610601255.db2.gz OEMXPOJETILEJN-AWEZNQCLSA-N 1 1 340.431 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000941242163 610615069 /nfs/dbraw/zinc/61/50/69/610615069.db2.gz XOAZJOSRSSLFCT-RDBSUJKOSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000941242163 610615071 /nfs/dbraw/zinc/61/50/71/610615071.db2.gz XOAZJOSRSSLFCT-RDBSUJKOSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccc(C)n2)C1 ZINC000941237512 610620752 /nfs/dbraw/zinc/62/07/52/610620752.db2.gz BJQVQXKAJVZHNW-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccc(C)n2)C1 ZINC000941237512 610620753 /nfs/dbraw/zinc/62/07/53/610620753.db2.gz BJQVQXKAJVZHNW-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000941237929 610621339 /nfs/dbraw/zinc/62/13/39/610621339.db2.gz MAMPTIFPSORZRJ-RFGFWPKPSA-N 1 1 339.386 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000941237929 610621342 /nfs/dbraw/zinc/62/13/42/610621342.db2.gz MAMPTIFPSORZRJ-RFGFWPKPSA-N 1 1 339.386 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC000941238108 610622248 /nfs/dbraw/zinc/62/22/48/610622248.db2.gz UQBKIMOYAYXTGT-ZBFHGGJFSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC000941238108 610622250 /nfs/dbraw/zinc/62/22/50/610622250.db2.gz UQBKIMOYAYXTGT-ZBFHGGJFSA-N 1 1 343.431 0.075 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000941238467 610622644 /nfs/dbraw/zinc/62/26/44/610622644.db2.gz WUXDJWWWPTZHDO-ZDUSSCGKSA-N 1 1 334.424 0.170 20 30 ECEDMO Cc1cc(C)n(CC[NH+]2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC000941349205 610685582 /nfs/dbraw/zinc/68/55/82/610685582.db2.gz WSTNAZVVAOVBRT-AWEZNQCLSA-N 1 1 344.463 0.488 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941404666 610721167 /nfs/dbraw/zinc/72/11/67/610721167.db2.gz MISISTVSBZENJF-SFHVURJKSA-N 1 1 332.492 0.711 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 ZINC000944136024 610752517 /nfs/dbraw/zinc/75/25/17/610752517.db2.gz QLKXKWOFZHYAJQ-ZYHUDNBSSA-N 1 1 342.827 0.460 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 ZINC000944136024 610752518 /nfs/dbraw/zinc/75/25/18/610752518.db2.gz QLKXKWOFZHYAJQ-ZYHUDNBSSA-N 1 1 342.827 0.460 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cnsn2)CC1 ZINC000944759026 610766413 /nfs/dbraw/zinc/76/64/13/610766413.db2.gz XQCQJJWUTIQGQH-AWEZNQCLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cnsn2)CC1 ZINC000944759026 610766414 /nfs/dbraw/zinc/76/64/14/610766414.db2.gz XQCQJJWUTIQGQH-AWEZNQCLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2C)cn1 ZINC000944215230 610787203 /nfs/dbraw/zinc/78/72/03/610787203.db2.gz RBUUOMNISQPARZ-RHSMWYFYSA-N 1 1 338.415 0.795 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)C[C@@H]2C)cn1 ZINC000944215037 610787241 /nfs/dbraw/zinc/78/72/41/610787241.db2.gz QCXWATOXTXVTDC-BBRMVZONSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)C[C@@H]2C)cn1 ZINC000944215037 610787242 /nfs/dbraw/zinc/78/72/42/610787242.db2.gz QCXWATOXTXVTDC-BBRMVZONSA-N 1 1 349.456 0.548 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000945030346 610887056 /nfs/dbraw/zinc/88/70/56/610887056.db2.gz JIJKQCZKMXSTIF-HUUCEWRRSA-N 1 1 332.448 0.939 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(=O)NC)n2)[C@H](C)C1 ZINC000944532351 610951724 /nfs/dbraw/zinc/95/17/24/610951724.db2.gz KUUJNBWRLILPPO-KGLIPLIRSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)C2CC=CC2)C1 ZINC000944524624 610969434 /nfs/dbraw/zinc/96/94/34/610969434.db2.gz DMADAPVYXHHPNT-IRXDYDNUSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)C2CC=CC2)C1 ZINC000944524624 610969436 /nfs/dbraw/zinc/96/94/36/610969436.db2.gz DMADAPVYXHHPNT-IRXDYDNUSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@@H](C)C1 ZINC000944621603 611018346 /nfs/dbraw/zinc/01/83/46/611018346.db2.gz XMWYMXVULHQRJC-SMDDNHRTSA-N 1 1 326.404 0.815 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc(C)n[nH]1 ZINC000943892345 611019837 /nfs/dbraw/zinc/01/98/37/611019837.db2.gz IHNGLJBDWVXMHU-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc(C)n[nH]1 ZINC000943892345 611019839 /nfs/dbraw/zinc/01/98/39/611019839.db2.gz IHNGLJBDWVXMHU-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=COCCC1 ZINC000943906575 611027832 /nfs/dbraw/zinc/02/78/32/611027832.db2.gz JWVYBHYIZSSUSK-SJORKVTESA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1=COCCC1 ZINC000943906575 611027838 /nfs/dbraw/zinc/02/78/38/611027838.db2.gz JWVYBHYIZSSUSK-SJORKVTESA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC(C)(C)C)CCO1 ZINC000944645873 611055094 /nfs/dbraw/zinc/05/50/94/611055094.db2.gz CLFNPGFZYRMUGA-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC(C)(C)C)CCO1 ZINC000944645873 611055096 /nfs/dbraw/zinc/05/50/96/611055096.db2.gz CLFNPGFZYRMUGA-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](OC)C1CC1 ZINC000943990134 611072383 /nfs/dbraw/zinc/07/23/83/611072383.db2.gz SBKCLCPPCZQBQL-IKGGRYGDSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](OC)C1CC1 ZINC000943990134 611072386 /nfs/dbraw/zinc/07/23/86/611072386.db2.gz SBKCLCPPCZQBQL-IKGGRYGDSA-N 1 1 347.459 0.616 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944659818 611075868 /nfs/dbraw/zinc/07/58/68/611075868.db2.gz VIRGMIREBKWSCG-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000944027999 611089468 /nfs/dbraw/zinc/08/94/68/611089468.db2.gz ZYXNVRDHNYRKGH-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@@H](C)C1 ZINC000944044888 611094065 /nfs/dbraw/zinc/09/40/65/611094065.db2.gz BBZRKNGSQOUZGM-DZGCQCFKSA-N 1 1 331.420 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=COCCO1 ZINC000944097390 611130393 /nfs/dbraw/zinc/13/03/93/611130393.db2.gz ARGYHNRYQDPLAX-CABCVRRESA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=COCCO1 ZINC000944097390 611130394 /nfs/dbraw/zinc/13/03/94/611130394.db2.gz ARGYHNRYQDPLAX-CABCVRRESA-N 1 1 347.415 0.079 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](C)O)C[C@H]3CC2)nn1 ZINC000946810491 611169881 /nfs/dbraw/zinc/16/98/81/611169881.db2.gz HNAGVGSNPILTKU-KFWWJZLASA-N 1 1 333.436 0.629 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3nc4nccc(C)n4n3)CC[C@@H]2C1 ZINC000946881334 611221133 /nfs/dbraw/zinc/22/11/33/611221133.db2.gz XCAKWYNLRWUYJQ-GASCZTMLSA-N 1 1 338.415 0.850 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)CC[C@@H]2C1 ZINC000946884769 611224674 /nfs/dbraw/zinc/22/46/74/611224674.db2.gz MQAOZLVJRKDWCX-OKILXGFUSA-N 1 1 334.420 0.237 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCOCC3)CC[C@@H]2C1 ZINC000946900039 611241752 /nfs/dbraw/zinc/24/17/52/611241752.db2.gz VIDAXSZNNWRYOG-OTWHNJEPSA-N 1 1 345.487 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCCNC(=O)c2cccnc2)C1 ZINC000923569802 611264559 /nfs/dbraw/zinc/26/45/59/611264559.db2.gz GAMAPOFJGOBDAE-MRXNPFEDSA-N 1 1 328.416 0.805 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCNC(=O)c2cccnc2)C1 ZINC000923569802 611264561 /nfs/dbraw/zinc/26/45/61/611264561.db2.gz GAMAPOFJGOBDAE-MRXNPFEDSA-N 1 1 328.416 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2F)C1 ZINC000923592056 611271500 /nfs/dbraw/zinc/27/15/00/611271500.db2.gz IQDWITXVCIDFFM-LLVKDONJSA-N 1 1 339.392 0.301 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2F)C1 ZINC000923592056 611271502 /nfs/dbraw/zinc/27/15/02/611271502.db2.gz IQDWITXVCIDFFM-LLVKDONJSA-N 1 1 339.392 0.301 20 30 ECEDMO C#CCN(CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000834518851 611290646 /nfs/dbraw/zinc/29/06/46/611290646.db2.gz UDPPLMXRUUKOJN-UHFFFAOYSA-N 1 1 347.419 0.929 20 30 ECEDMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)CC[C@@H]2C1 ZINC000946558350 611319113 /nfs/dbraw/zinc/31/91/13/611319113.db2.gz AZPOPLAJDUBRGK-BETUJISGSA-N 1 1 329.404 0.416 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000922023694 611331291 /nfs/dbraw/zinc/33/12/91/611331291.db2.gz AIJLKGBOWUIHEJ-OAHLLOKOSA-N 1 1 346.497 0.755 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000922023694 611331293 /nfs/dbraw/zinc/33/12/93/611331293.db2.gz AIJLKGBOWUIHEJ-OAHLLOKOSA-N 1 1 346.497 0.755 20 30 ECEDMO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000922025445 611331490 /nfs/dbraw/zinc/33/14/90/611331490.db2.gz ISHVSCKYIWWOKW-UONOGXRCSA-N 1 1 330.454 0.118 20 30 ECEDMO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000922025445 611331491 /nfs/dbraw/zinc/33/14/91/611331491.db2.gz ISHVSCKYIWWOKW-UONOGXRCSA-N 1 1 330.454 0.118 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@@H]2CCN2CC)[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000922155646 611340343 /nfs/dbraw/zinc/34/03/43/611340343.db2.gz DJMZTHMJRIANQU-GEEKYZPCSA-N 1 1 334.464 0.209 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@@H]2CCN2CC)[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC ZINC000922155646 611340345 /nfs/dbraw/zinc/34/03/45/611340345.db2.gz DJMZTHMJRIANQU-GEEKYZPCSA-N 1 1 334.464 0.209 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC)[C@@H]1C(=O)NC[C@H]1CCN1CC ZINC000922155646 611340347 /nfs/dbraw/zinc/34/03/47/611340347.db2.gz DJMZTHMJRIANQU-GEEKYZPCSA-N 1 1 334.464 0.209 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC)[C@@H]1C(=O)NC[C@H]1CCN1CC ZINC000922155646 611340350 /nfs/dbraw/zinc/34/03/50/611340350.db2.gz DJMZTHMJRIANQU-GEEKYZPCSA-N 1 1 334.464 0.209 20 30 ECEDMO C[N@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000922184158 611342257 /nfs/dbraw/zinc/34/22/57/611342257.db2.gz ORNJZBMJLBFMDP-JKSUJKDBSA-N 1 1 341.415 0.662 20 30 ECEDMO C#CCN(C(=O)NCC1(S(C)(=O)=O)CCC1)C1CC[NH+](C)CC1 ZINC000922281447 611345120 /nfs/dbraw/zinc/34/51/20/611345120.db2.gz WKZJGMUXDQINFT-UHFFFAOYSA-N 1 1 341.477 0.693 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)C[C@]2(O)CCOC2)c1 ZINC000929289438 611742833 /nfs/dbraw/zinc/74/28/33/611742833.db2.gz CCUWBXHCQBESSA-FUHWJXTLSA-N 1 1 332.400 0.441 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)C[C@]2(O)CCOC2)c1 ZINC000929289438 611742835 /nfs/dbraw/zinc/74/28/35/611742835.db2.gz CCUWBXHCQBESSA-FUHWJXTLSA-N 1 1 332.400 0.441 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C ZINC000947929756 611744912 /nfs/dbraw/zinc/74/49/12/611744912.db2.gz NXOKQTUACMACNK-NEPJUHHUSA-N 1 1 330.392 0.576 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)C[C@]2(C)C1 ZINC000933731589 611745140 /nfs/dbraw/zinc/74/51/40/611745140.db2.gz CNAYTXZLOYWNDM-ZBFHGGJFSA-N 1 1 334.445 0.610 20 30 ECEDMO C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC000948955495 611767456 /nfs/dbraw/zinc/76/74/56/611767456.db2.gz WZUMUHPLXSIVJN-HOTGVXAUSA-N 1 1 326.400 0.407 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2c3ccccc3CCN2CC#N)C1 ZINC000948987448 611787863 /nfs/dbraw/zinc/78/78/63/611787863.db2.gz YDSLZNURLBQUBZ-ZWKOTPCHSA-N 1 1 342.443 0.946 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2c3ccccc3CCN2CC#N)C1 ZINC000948987448 611787866 /nfs/dbraw/zinc/78/78/66/611787866.db2.gz YDSLZNURLBQUBZ-ZWKOTPCHSA-N 1 1 342.443 0.946 20 30 ECEDMO Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000929750464 611790172 /nfs/dbraw/zinc/79/01/72/611790172.db2.gz XPBQAFIJLGCYLW-OAHLLOKOSA-N 1 1 326.400 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC000949007017 611804045 /nfs/dbraw/zinc/80/40/45/611804045.db2.gz HKNFNPZREQDPGL-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC000949007017 611804048 /nfs/dbraw/zinc/80/40/48/611804048.db2.gz HKNFNPZREQDPGL-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC000949095625 611852348 /nfs/dbraw/zinc/85/23/48/611852348.db2.gz SUTGXIZLKWRWFM-SJORKVTESA-N 1 1 349.475 0.729 20 30 ECEDMO C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)S(C)(=O)=O)CCO2 ZINC000949120795 611861657 /nfs/dbraw/zinc/86/16/57/611861657.db2.gz FJVUCGVXRLIODR-AWEZNQCLSA-N 1 1 342.461 0.136 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccccc1O ZINC000950754518 611889744 /nfs/dbraw/zinc/88/97/44/611889744.db2.gz VLOAEAWWYHMQMS-ZBFHGGJFSA-N 1 1 341.411 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccccc1O ZINC000950754518 611889747 /nfs/dbraw/zinc/88/97/47/611889747.db2.gz VLOAEAWWYHMQMS-ZBFHGGJFSA-N 1 1 341.411 0.821 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cncc(F)c1 ZINC000950755624 611891152 /nfs/dbraw/zinc/89/11/52/611891152.db2.gz QCYDKYBIPXUOBT-HOTGVXAUSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cncc(F)c1 ZINC000950755624 611891155 /nfs/dbraw/zinc/89/11/55/611891155.db2.gz QCYDKYBIPXUOBT-HOTGVXAUSA-N 1 1 344.390 0.649 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000950244045 611926070 /nfs/dbraw/zinc/92/60/70/611926070.db2.gz SZDFRAQYIFVZHF-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298513 611931678 /nfs/dbraw/zinc/93/16/78/611931678.db2.gz NOSDCVOAZSYFHW-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949378895 611957193 /nfs/dbraw/zinc/95/71/93/611957193.db2.gz CPDOJXOTIRRJIP-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(Cl)CN1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949381786 611959383 /nfs/dbraw/zinc/95/93/83/611959383.db2.gz XJFUWJCIIFCRGS-NPCAHTBFSA-N 1 1 325.840 0.746 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000949390278 611961540 /nfs/dbraw/zinc/96/15/40/611961540.db2.gz AXSWRIIISFCBMC-DZGCQCFKSA-N 1 1 336.436 0.222 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000949390278 611961543 /nfs/dbraw/zinc/96/15/43/611961543.db2.gz AXSWRIIISFCBMC-DZGCQCFKSA-N 1 1 336.436 0.222 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 ZINC000949391583 611962308 /nfs/dbraw/zinc/96/23/08/611962308.db2.gz JYMCFULJSIYPME-OAHLLOKOSA-N 1 1 333.432 0.372 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 ZINC000949391583 611962310 /nfs/dbraw/zinc/96/23/10/611962310.db2.gz JYMCFULJSIYPME-OAHLLOKOSA-N 1 1 333.432 0.372 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC000949471334 611991869 /nfs/dbraw/zinc/99/18/69/611991869.db2.gz YHHDFNKSEQFWGH-CABCVRRESA-N 1 1 335.448 0.590 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC000949471334 611991870 /nfs/dbraw/zinc/99/18/70/611991870.db2.gz YHHDFNKSEQFWGH-CABCVRRESA-N 1 1 335.448 0.590 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(CC)n3)CC2)C1 ZINC000949496181 612006402 /nfs/dbraw/zinc/00/64/02/612006402.db2.gz WXNZDULTKWJQBI-UHFFFAOYSA-N 1 1 346.431 0.756 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(CC)n3)CC2)C1 ZINC000949496181 612006403 /nfs/dbraw/zinc/00/64/03/612006403.db2.gz WXNZDULTKWJQBI-UHFFFAOYSA-N 1 1 346.431 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(OC)no1 ZINC000949502093 612010732 /nfs/dbraw/zinc/01/07/32/612010732.db2.gz JMTLYXZXPKBBHI-STQMWFEESA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(OC)no1 ZINC000949502093 612010734 /nfs/dbraw/zinc/01/07/34/612010734.db2.gz JMTLYXZXPKBBHI-STQMWFEESA-N 1 1 346.387 0.112 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950517241 612049577 /nfs/dbraw/zinc/04/95/77/612049577.db2.gz KHABMQLRFRQIDM-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950518141 612050013 /nfs/dbraw/zinc/05/00/13/612050013.db2.gz XHUMZTLHWDIIBQ-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C ZINC000949670856 612057154 /nfs/dbraw/zinc/05/71/54/612057154.db2.gz IJQOGKNEDGSRRX-QXSJWSMHSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C ZINC000949670856 612057155 /nfs/dbraw/zinc/05/71/55/612057155.db2.gz IJQOGKNEDGSRRX-QXSJWSMHSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cscn2)C1 ZINC000951223342 612087695 /nfs/dbraw/zinc/08/76/95/612087695.db2.gz FAPGVOUAWIDZCQ-ZFWWWQNUSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cscn2)C1 ZINC000951223342 612087698 /nfs/dbraw/zinc/08/76/98/612087698.db2.gz FAPGVOUAWIDZCQ-ZFWWWQNUSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cn2ccnc2)C1 ZINC000951224010 612088767 /nfs/dbraw/zinc/08/87/67/612088767.db2.gz VZLYSSFSWNNSLB-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cn2ccnc2)C1 ZINC000951224010 612088768 /nfs/dbraw/zinc/08/87/68/612088768.db2.gz VZLYSSFSWNNSLB-HOTGVXAUSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccnnc2)C1 ZINC000951224180 612089397 /nfs/dbraw/zinc/08/93/97/612089397.db2.gz YZYQMVRFHIALIP-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccnnc2)C1 ZINC000951224180 612089398 /nfs/dbraw/zinc/08/93/98/612089398.db2.gz YZYQMVRFHIALIP-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)COC)C2)C1 ZINC000953054072 612148215 /nfs/dbraw/zinc/14/82/15/612148215.db2.gz KGGDGTIYAWNUEJ-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)COC)C2)C1 ZINC000953054072 612148217 /nfs/dbraw/zinc/14/82/17/612148217.db2.gz KGGDGTIYAWNUEJ-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CCC[C@H]2C)nc1 ZINC000951378680 612195084 /nfs/dbraw/zinc/19/50/84/612195084.db2.gz XRCUJUAILMFHHC-GDBMZVCRSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CCC[C@@H]2C)nc1 ZINC000951378682 612195144 /nfs/dbraw/zinc/19/51/44/612195144.db2.gz XRCUJUAILMFHHC-GOEBONIOSA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000953192233 612198602 /nfs/dbraw/zinc/19/86/02/612198602.db2.gz GDOFWUUSAVCBTD-DYVFJYSZSA-N 1 1 329.404 0.802 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000952065271 612210048 /nfs/dbraw/zinc/21/00/48/612210048.db2.gz WVANYTJSWAQHSR-OAGGEKHMSA-N 1 1 346.431 0.890 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000951437186 612233436 /nfs/dbraw/zinc/23/34/36/612233436.db2.gz JGKSZKNIBWVRFU-IRXDYDNUSA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000951437186 612233438 /nfs/dbraw/zinc/23/34/38/612233438.db2.gz JGKSZKNIBWVRFU-IRXDYDNUSA-N 1 1 341.411 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1[nH]c(C)nc1C ZINC000952165181 612259148 /nfs/dbraw/zinc/25/91/48/612259148.db2.gz IFSQMRDQMXQTID-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1[nH]c(C)nc1C ZINC000952165181 612259151 /nfs/dbraw/zinc/25/91/51/612259151.db2.gz IFSQMRDQMXQTID-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000954470939 612309162 /nfs/dbraw/zinc/30/91/62/612309162.db2.gz WCJTWOOAEYVYOH-UKRRQHHQSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cccnc1C ZINC000951576918 612358680 /nfs/dbraw/zinc/35/86/80/612358680.db2.gz FTPYDILKCOYGJW-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cccnc1C ZINC000951576918 612358683 /nfs/dbraw/zinc/35/86/83/612358683.db2.gz FTPYDILKCOYGJW-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CC(OC)C2)C1 ZINC000954532246 612372067 /nfs/dbraw/zinc/37/20/67/612372067.db2.gz DWJCCSAOHXVWMC-BCLQGDPASA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CC(OC)C2)C1 ZINC000954532246 612372070 /nfs/dbraw/zinc/37/20/70/612372070.db2.gz DWJCCSAOHXVWMC-BCLQGDPASA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CCOC2)C1 ZINC000954630607 612467107 /nfs/dbraw/zinc/46/71/07/612467107.db2.gz DXQDUNWSHCHVTL-ZBFHGGJFSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CCOC2)C1 ZINC000954630607 612467110 /nfs/dbraw/zinc/46/71/10/612467110.db2.gz DXQDUNWSHCHVTL-ZBFHGGJFSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccn(C)c2C)C1 ZINC000954630792 612468552 /nfs/dbraw/zinc/46/85/52/612468552.db2.gz JVWOOMKKHABZPR-KRWDZBQOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccn(C)c2C)C1 ZINC000954630792 612468553 /nfs/dbraw/zinc/46/85/53/612468553.db2.gz JVWOOMKKHABZPR-KRWDZBQOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c(C)ccn2C)C1 ZINC000954631450 612469970 /nfs/dbraw/zinc/46/99/70/612469970.db2.gz XOJSXZYDGOCESQ-INIZCTEOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c(C)ccn2C)C1 ZINC000954631450 612469972 /nfs/dbraw/zinc/46/99/72/612469972.db2.gz XOJSXZYDGOCESQ-INIZCTEOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000955929265 612497258 /nfs/dbraw/zinc/49/72/58/612497258.db2.gz FWYJOUSSGOVYNK-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000953998332 612536300 /nfs/dbraw/zinc/53/63/00/612536300.db2.gz YAEKJMRGMKVTAP-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000956837679 612607762 /nfs/dbraw/zinc/60/77/62/612607762.db2.gz PKYBHKBTMGIXPC-RVZJWNSFSA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956842440 612616121 /nfs/dbraw/zinc/61/61/21/612616121.db2.gz GLQNFVWQMZXICS-YVEFUNNKSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2nccs2)C1 ZINC000951802425 612638336 /nfs/dbraw/zinc/63/83/36/612638336.db2.gz SQOGCUSXOFUGRT-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2nccs2)C1 ZINC000951802425 612638339 /nfs/dbraw/zinc/63/83/39/612638339.db2.gz SQOGCUSXOFUGRT-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000954105427 612667498 /nfs/dbraw/zinc/66/74/98/612667498.db2.gz GUANWFIELOJGGP-HNNXBMFYSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC000956072442 612676829 /nfs/dbraw/zinc/67/68/29/612676829.db2.gz FDLSTJPNGVCIQM-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC000956072442 612676832 /nfs/dbraw/zinc/67/68/32/612676832.db2.gz FDLSTJPNGVCIQM-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956935698 612718675 /nfs/dbraw/zinc/71/86/75/612718675.db2.gz YIBMSTWXUXVGEJ-SJCJKPOMSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000954195140 612755731 /nfs/dbraw/zinc/75/57/31/612755731.db2.gz XVJABBURVMIJGY-IHRRRGAJSA-N 1 1 339.386 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000954195140 612755734 /nfs/dbraw/zinc/75/57/34/612755734.db2.gz XVJABBURVMIJGY-IHRRRGAJSA-N 1 1 339.386 0.654 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000954916162 612785313 /nfs/dbraw/zinc/78/53/13/612785313.db2.gz FAAJUNFBHLXDCI-OAHLLOKOSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000954931248 612794408 /nfs/dbraw/zinc/79/44/08/612794408.db2.gz SIHWKRDOFXXZRD-GOSISDBHSA-N 1 1 339.439 0.974 20 30 ECEDMO CN(C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954280524 612820579 /nfs/dbraw/zinc/82/05/79/612820579.db2.gz IBVDMOAWRATNIM-HOTGVXAUSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000954983784 612836003 /nfs/dbraw/zinc/83/60/03/612836003.db2.gz CDZYEEFCBGZKGY-SIXWZSSISA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000954983784 612836007 /nfs/dbraw/zinc/83/60/07/612836007.db2.gz CDZYEEFCBGZKGY-SIXWZSSISA-N 1 1 329.444 0.943 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC000955079732 612887027 /nfs/dbraw/zinc/88/70/27/612887027.db2.gz XHTXYURMYNPZON-MRXNPFEDSA-N 1 1 333.432 0.178 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC000955079732 612887030 /nfs/dbraw/zinc/88/70/30/612887030.db2.gz XHTXYURMYNPZON-MRXNPFEDSA-N 1 1 333.432 0.178 20 30 ECEDMO N#Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(C#N)c1 ZINC001164739292 720662524 /nfs/dbraw/zinc/66/25/24/720662524.db2.gz MTIJVCFJDMLBPK-HOTGVXAUSA-N 1 1 347.382 0.957 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C)ncc3C#N)CC[C@@H]2C1 ZINC001164851869 720848424 /nfs/dbraw/zinc/84/84/24/720848424.db2.gz IILIRKXZQKTPKP-ZBFHGGJFSA-N 1 1 331.420 0.830 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000971872616 735291048 /nfs/dbraw/zinc/29/10/48/735291048.db2.gz CQXQJQKYJVDVDZ-DAXOMENPSA-N 1 1 341.415 0.653 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccnc4nc(C)nn43)C2)C1 ZINC001041787225 782205924 /nfs/dbraw/zinc/20/59/24/782205924.db2.gz XPGLTNXVNHRZQF-SFHVURJKSA-N 1 1 338.415 0.994 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)cc(C)nc3=O)[C@H]2C1 ZINC001083234210 735447994 /nfs/dbraw/zinc/44/79/94/735447994.db2.gz RINKEXYEEQAABP-JKSUJKDBSA-N 1 1 346.431 0.348 20 30 ECEDMO C[NH+]=C(NCc1cn[nH]c1C)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000262026506 735462342 /nfs/dbraw/zinc/46/23/42/735462342.db2.gz ZUOBCMAAMHWFMF-GFCCVEGCSA-N 1 1 332.412 0.136 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N(CCO)CCNc1ccc(C#N)nn1 ZINC001111582777 731481405 /nfs/dbraw/zinc/48/14/05/731481405.db2.gz NRXMHUBZIMHLGY-HNNXBMFYSA-N 1 1 346.435 0.455 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N(CCO)CCNc1cncc(C#N)n1 ZINC001111582791 731488947 /nfs/dbraw/zinc/48/89/47/731488947.db2.gz OIVYTXDJBHLNAK-OAHLLOKOSA-N 1 1 346.435 0.455 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000969151189 731527095 /nfs/dbraw/zinc/52/70/95/731527095.db2.gz RRWDJNHZLBXTTQ-ZIAGYGMSSA-N 1 1 327.450 0.062 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ncccc2C#N)C1 ZINC001125280008 731572647 /nfs/dbraw/zinc/57/26/47/731572647.db2.gz OMHUJDQFKZJWSH-GOEBONIOSA-N 1 1 345.447 0.551 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ccncc2C#N)C1 ZINC001125280416 731577140 /nfs/dbraw/zinc/57/71/40/731577140.db2.gz RSERICCELIUASZ-GDBMZVCRSA-N 1 1 345.447 0.551 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](CC)C(N)=O)C3)C2)cn1 ZINC001041795190 782224697 /nfs/dbraw/zinc/22/46/97/782224697.db2.gz ZORPOVLLGFZPBS-VQIMIIECSA-N 1 1 340.427 0.865 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001211495516 731720543 /nfs/dbraw/zinc/72/05/43/731720543.db2.gz OHQFKCVMHHRYDJ-QLFBSQMISA-N 1 1 335.448 0.542 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001211495516 731720547 /nfs/dbraw/zinc/72/05/47/731720547.db2.gz OHQFKCVMHHRYDJ-QLFBSQMISA-N 1 1 335.448 0.542 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CN(C)CCO1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969440416 731880623 /nfs/dbraw/zinc/88/06/23/731880623.db2.gz GKUIKZUXHIOQIT-MLGOLLRUSA-N 1 1 348.472 0.887 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC000973026924 738556844 /nfs/dbraw/zinc/55/68/44/738556844.db2.gz ACXCTCLUNVEONW-DZKIICNBSA-N 1 1 343.431 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC000973026924 738556847 /nfs/dbraw/zinc/55/68/47/738556847.db2.gz ACXCTCLUNVEONW-DZKIICNBSA-N 1 1 343.431 0.447 20 30 ECEDMO CC(C)N1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000969506134 731935122 /nfs/dbraw/zinc/93/51/22/731935122.db2.gz NBCIWTLURIWNCI-WBMJQRKESA-N 1 1 343.431 0.946 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000969527646 731945607 /nfs/dbraw/zinc/94/56/07/731945607.db2.gz ZAERHTVYRGTZJA-WBMJQRKESA-N 1 1 341.415 0.723 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H](C)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000969841861 732429081 /nfs/dbraw/zinc/42/90/81/732429081.db2.gz MAWITXOQGYYLJC-WFASDCNBSA-N 1 1 344.415 0.529 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ncnn2C)c1 ZINC001025078106 738610234 /nfs/dbraw/zinc/61/02/34/738610234.db2.gz MWPXJCHGMVVZNU-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H](O)C1 ZINC000969872822 732471251 /nfs/dbraw/zinc/47/12/51/732471251.db2.gz XCQQMBGSJSYAQR-PMPSAXMXSA-N 1 1 347.459 0.208 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H](O)C1 ZINC000969872822 732471253 /nfs/dbraw/zinc/47/12/53/732471253.db2.gz XCQQMBGSJSYAQR-PMPSAXMXSA-N 1 1 347.459 0.208 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069983976 790277990 /nfs/dbraw/zinc/27/79/90/790277990.db2.gz YKYQKUDGZNXBTK-WCVJEAGWSA-N 1 1 331.420 0.458 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC001098526438 732526216 /nfs/dbraw/zinc/52/62/16/732526216.db2.gz JLEYQSMSKMAVCV-HNNXBMFYSA-N 1 1 344.459 0.823 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC001098526438 732526218 /nfs/dbraw/zinc/52/62/18/732526218.db2.gz JLEYQSMSKMAVCV-HNNXBMFYSA-N 1 1 344.459 0.823 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC001098526438 732526221 /nfs/dbraw/zinc/52/62/21/732526221.db2.gz JLEYQSMSKMAVCV-HNNXBMFYSA-N 1 1 344.459 0.823 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC001098526851 732612693 /nfs/dbraw/zinc/61/26/93/732612693.db2.gz QEIQRQPWLGJRRQ-CQSZACIVSA-N 1 1 332.448 0.986 20 30 ECEDMO C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC001098526851 732612696 /nfs/dbraw/zinc/61/26/96/732612696.db2.gz QEIQRQPWLGJRRQ-CQSZACIVSA-N 1 1 332.448 0.986 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC001098526851 732612699 /nfs/dbraw/zinc/61/26/99/732612699.db2.gz QEIQRQPWLGJRRQ-CQSZACIVSA-N 1 1 332.448 0.986 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3c4n(c(=O)n3C)CCCC4)[C@H]2C1 ZINC001083193732 732626019 /nfs/dbraw/zinc/62/60/19/732626019.db2.gz GLYNFJDIZDIQIQ-LSDHHAIUSA-N 1 1 346.431 0.234 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c4n(c(=O)n3C)CCCC4)[C@H]2C1 ZINC001083193732 732626023 /nfs/dbraw/zinc/62/60/23/732626023.db2.gz GLYNFJDIZDIQIQ-LSDHHAIUSA-N 1 1 346.431 0.234 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C(=O)N2CCC[C@H]2CC)CC1 ZINC001098527332 732733272 /nfs/dbraw/zinc/73/32/72/732733272.db2.gz YREYDLHLMBBGKY-OAHLLOKOSA-N 1 1 335.448 0.306 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CN3CCc4ccccc43)[C@H]2C1 ZINC001083278165 738648568 /nfs/dbraw/zinc/64/85/68/738648568.db2.gz KWSLJSZBQFEPJX-RBUKOAKNSA-N 1 1 339.439 0.984 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CN3CCc4ccccc43)[C@H]2C1 ZINC001083278165 738648574 /nfs/dbraw/zinc/64/85/74/738648574.db2.gz KWSLJSZBQFEPJX-RBUKOAKNSA-N 1 1 339.439 0.984 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CNc2ccc(C#N)nn2)C(C)(C)C)C1 ZINC001125828178 738668447 /nfs/dbraw/zinc/66/84/47/738668447.db2.gz NSBZTMSONOIQGP-ZIAGYGMSSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CNc2ccc(C#N)nn2)C(C)(C)C)C1 ZINC001125828178 738668449 /nfs/dbraw/zinc/66/84/49/738668449.db2.gz NSBZTMSONOIQGP-ZIAGYGMSSA-N 1 1 346.435 0.622 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001025111813 738668655 /nfs/dbraw/zinc/66/86/55/738668655.db2.gz MIZNFXNLOMBAKZ-DZKIICNBSA-N 1 1 348.451 0.662 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CNc2ccc(C#N)nn2)C(C)(C)C)C1 ZINC001125828176 738668784 /nfs/dbraw/zinc/66/87/84/738668784.db2.gz NSBZTMSONOIQGP-KGLIPLIRSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CNc2ccc(C#N)nn2)C(C)(C)C)C1 ZINC001125828176 738668785 /nfs/dbraw/zinc/66/87/85/738668785.db2.gz NSBZTMSONOIQGP-KGLIPLIRSA-N 1 1 346.435 0.622 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125327195 733047131 /nfs/dbraw/zinc/04/71/31/733047131.db2.gz IDCQCOGWHXTULD-HZPDHXFCSA-N 1 1 345.447 0.693 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC001098532946 733054708 /nfs/dbraw/zinc/05/47/08/733054708.db2.gz LTDWOAKKEIBILA-CQSZACIVSA-N 1 1 345.447 0.218 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001098532946 733054709 /nfs/dbraw/zinc/05/47/09/733054709.db2.gz LTDWOAKKEIBILA-CQSZACIVSA-N 1 1 345.447 0.218 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001098532946 733054710 /nfs/dbraw/zinc/05/47/10/733054710.db2.gz LTDWOAKKEIBILA-CQSZACIVSA-N 1 1 345.447 0.218 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001098532946 733054711 /nfs/dbraw/zinc/05/47/11/733054711.db2.gz LTDWOAKKEIBILA-CQSZACIVSA-N 1 1 345.447 0.218 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001098532946 733054713 /nfs/dbraw/zinc/05/47/13/733054713.db2.gz LTDWOAKKEIBILA-CQSZACIVSA-N 1 1 345.447 0.218 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC001041838843 782317452 /nfs/dbraw/zinc/31/74/52/782317452.db2.gz FTOQSCRBFOCYLB-FUHWJXTLSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C2)C1 ZINC001041842189 782321991 /nfs/dbraw/zinc/32/19/91/782321991.db2.gz COBXVTYBWSBFCT-CRAIPNDOSA-N 1 1 327.432 0.707 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC001041846156 782327736 /nfs/dbraw/zinc/32/77/36/782327736.db2.gz XWJGILROVZJKFL-KRWDZBQOSA-N 1 1 346.435 0.268 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970263792 733272424 /nfs/dbraw/zinc/27/24/24/733272424.db2.gz FLDYJFRNSWVTIJ-WMLDXEAASA-N 1 1 325.412 0.611 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNc2ccc(C#N)nn2)CC1 ZINC001067470960 733330770 /nfs/dbraw/zinc/33/07/70/733330770.db2.gz KNCGWIJGTQQDBL-AWEZNQCLSA-N 1 1 344.419 0.208 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nncn2C)nc1 ZINC001025141491 738712581 /nfs/dbraw/zinc/71/25/81/738712581.db2.gz QQXPNCJCTMKKNV-OAHLLOKOSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cn(C)nn2)cn1 ZINC001025141753 738712949 /nfs/dbraw/zinc/71/29/49/738712949.db2.gz DQSQSOJUBZBAAJ-QGZVFWFLSA-N 1 1 338.415 0.976 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC([N@@H+](CCO)CCF)CC1 ZINC001098536870 733462220 /nfs/dbraw/zinc/46/22/20/733462220.db2.gz RJUUYJQJUQLFBS-UHFFFAOYSA-N 1 1 349.406 0.962 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2O)C1 ZINC000970398336 733465919 /nfs/dbraw/zinc/46/59/19/733465919.db2.gz CSUTWHBQWHWYSM-OAGGEKHMSA-N 1 1 349.475 0.903 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000970448480 733545962 /nfs/dbraw/zinc/54/59/62/733545962.db2.gz ZCTUKZYUDOSLEJ-WQVCFCJDSA-N 1 1 335.448 0.635 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001078135853 782354976 /nfs/dbraw/zinc/35/49/76/782354976.db2.gz UHOJHFCDNQHJDD-HZPDHXFCSA-N 1 1 342.403 0.403 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC000970554486 733670887 /nfs/dbraw/zinc/67/08/87/733670887.db2.gz KOMFZMJQIDWKBJ-TZMCWYRMSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccncn3)C2)C1=O ZINC000970613792 733743442 /nfs/dbraw/zinc/74/34/42/733743442.db2.gz SMLGVGQXRUPYDN-IUODEOHRSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cn(CC)nn3)C2)C1=O ZINC000970660816 733793026 /nfs/dbraw/zinc/79/30/26/733793026.db2.gz SVGCHOQQLBIKFH-IUODEOHRSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001111985452 738758941 /nfs/dbraw/zinc/75/89/41/738758941.db2.gz JNCOXHUAZKZAEY-HNNXBMFYSA-N 1 1 343.431 0.708 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cn(CC)cn3)C2)C1=O ZINC000970751743 733911682 /nfs/dbraw/zinc/91/16/82/733911682.db2.gz JGJYJYLMTINCBP-XJKSGUPXSA-N 1 1 345.447 0.740 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC000970763225 733925208 /nfs/dbraw/zinc/92/52/08/733925208.db2.gz JVGLTHCEGUSUCT-OLZOCXBDSA-N 1 1 328.416 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC000973107854 738764933 /nfs/dbraw/zinc/76/49/33/738764933.db2.gz IBLFOWRLZCEXSI-DZKIICNBSA-N 1 1 344.415 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC000973107854 738764938 /nfs/dbraw/zinc/76/49/38/738764938.db2.gz IBLFOWRLZCEXSI-DZKIICNBSA-N 1 1 344.415 0.387 20 30 ECEDMO C#Cc1cccc(NC(=O)C[NH2+]CCCNC(=O)Cc2cnc[nH]2)c1 ZINC001167355679 733991341 /nfs/dbraw/zinc/99/13/41/733991341.db2.gz VPJOKPJIPPIJBV-UHFFFAOYSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC001041881928 782384859 /nfs/dbraw/zinc/38/48/59/782384859.db2.gz XXXAPOJVASQOJS-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971047313 734209449 /nfs/dbraw/zinc/20/94/49/734209449.db2.gz XMBWADRRDZDZEV-OAHLLOKOSA-N 1 1 325.376 0.278 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(c2ccncc2C#N)CCO1 ZINC001104318164 734277610 /nfs/dbraw/zinc/27/76/10/734277610.db2.gz CMHTYQAJNALZNH-HNNXBMFYSA-N 1 1 340.387 0.480 20 30 ECEDMO Cc1ccc(C#N)c(N2CCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001104318252 734279488 /nfs/dbraw/zinc/27/94/88/734279488.db2.gz DXSFPQGKYJJRPZ-INIZCTEOSA-N 1 1 345.447 0.923 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 ZINC001104323067 734301806 /nfs/dbraw/zinc/30/18/06/734301806.db2.gz IAOPPRGZXMVNLX-OAHLLOKOSA-N 1 1 346.435 0.402 20 30 ECEDMO Cc1nc(NCCN(CCO)C(=O)C[C@H]2CC[N@H+](C)C2)ccc1C#N ZINC001111489269 734408381 /nfs/dbraw/zinc/40/83/81/734408381.db2.gz QQDSYQIAMAHOAI-OAHLLOKOSA-N 1 1 345.447 0.836 20 30 ECEDMO C[N@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971287215 734421058 /nfs/dbraw/zinc/42/10/58/734421058.db2.gz BSPFNTMAHIOBOP-CQSZACIVSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971287215 734421062 /nfs/dbraw/zinc/42/10/62/734421062.db2.gz BSPFNTMAHIOBOP-CQSZACIVSA-N 1 1 329.404 0.655 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3nc(C4CC4)no3)[C@H]2C1 ZINC001083216056 734455209 /nfs/dbraw/zinc/45/52/09/734455209.db2.gz GHESTMGINSKTDR-LSDHHAIUSA-N 1 1 344.415 0.815 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3nc(C4CC4)no3)[C@H]2C1 ZINC001083216056 734455212 /nfs/dbraw/zinc/45/52/12/734455212.db2.gz GHESTMGINSKTDR-LSDHHAIUSA-N 1 1 344.415 0.815 20 30 ECEDMO C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363881 734476314 /nfs/dbraw/zinc/47/63/14/734476314.db2.gz KHENGMFTEIAPMQ-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO CN1CCC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000971375583 734487530 /nfs/dbraw/zinc/48/75/30/734487530.db2.gz BPRYLDBUNGGFBS-HUUCEWRRSA-N 1 1 329.404 0.653 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000971378306 734489247 /nfs/dbraw/zinc/48/92/47/734489247.db2.gz HZZPQTREMULIRS-MSOLQXFVSA-N 1 1 342.443 0.922 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2ncccc2C#N)CCO1 ZINC001104350433 734527618 /nfs/dbraw/zinc/52/76/18/734527618.db2.gz WUDWKXIXDWHVTA-GDBMZVCRSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](C)OC)C[C@@H]32)nn1 ZINC001083217515 734560282 /nfs/dbraw/zinc/56/02/82/734560282.db2.gz CDKVDSLVMOPGBK-AEGPPILISA-N 1 1 335.408 0.024 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451667 734610215 /nfs/dbraw/zinc/61/02/15/734610215.db2.gz MMFDPWCHIOOMDU-CABCVRRESA-N 1 1 328.372 0.699 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451667 734610217 /nfs/dbraw/zinc/61/02/17/734610217.db2.gz MMFDPWCHIOOMDU-CABCVRRESA-N 1 1 328.372 0.699 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078174549 782427930 /nfs/dbraw/zinc/42/79/30/782427930.db2.gz PCOQBYJYAALIRE-IAOVAPTHSA-N 1 1 346.406 0.310 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CC(=C)C)C[C@@H]32)nn1 ZINC001083219815 734675374 /nfs/dbraw/zinc/67/53/74/734675374.db2.gz OZHNHKRTKZNTJJ-JKSUJKDBSA-N 1 1 331.420 0.956 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CC(=C)C)C[C@@H]32)nn1 ZINC001083219815 734675375 /nfs/dbraw/zinc/67/53/75/734675375.db2.gz OZHNHKRTKZNTJJ-JKSUJKDBSA-N 1 1 331.420 0.956 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545622 734739634 /nfs/dbraw/zinc/73/96/34/734739634.db2.gz VPHIEESDWJGLAA-LLVKDONJSA-N 1 1 331.405 0.339 20 30 ECEDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C(C)(C)C#N)C2)C1 ZINC001143398413 734877863 /nfs/dbraw/zinc/87/78/63/734877863.db2.gz MLZQVZPPSHNMHD-QGZVFWFLSA-N 1 1 336.436 0.223 20 30 ECEDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C(C)(C)C#N)C2)C1 ZINC001143398413 734877865 /nfs/dbraw/zinc/87/78/65/734877865.db2.gz MLZQVZPPSHNMHD-QGZVFWFLSA-N 1 1 336.436 0.223 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000973184019 738869645 /nfs/dbraw/zinc/86/96/45/738869645.db2.gz OZMZTXPOTKQCOS-VGWMRTNUSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000973184019 738869648 /nfs/dbraw/zinc/86/96/48/738869648.db2.gz OZMZTXPOTKQCOS-VGWMRTNUSA-N 1 1 333.432 0.417 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CCCC2)C1 ZINC001104379233 735055693 /nfs/dbraw/zinc/05/56/93/735055693.db2.gz HOYRYXKABUTXLH-CQSZACIVSA-N 1 1 344.419 0.520 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CCCC2)C1 ZINC001104379233 735055696 /nfs/dbraw/zinc/05/56/96/735055696.db2.gz HOYRYXKABUTXLH-CQSZACIVSA-N 1 1 344.419 0.520 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001078196360 782474630 /nfs/dbraw/zinc/47/46/30/782474630.db2.gz XQSUPNOSUJHJFP-HUUCEWRRSA-N 1 1 325.372 0.066 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ncc4ccccc43)[C@H]2C1 ZINC001083225742 735112050 /nfs/dbraw/zinc/11/20/50/735112050.db2.gz KSMQXOIRZGDSIP-ZWKOTPCHSA-N 1 1 338.411 0.971 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ncc4ccccc43)[C@H]2C1 ZINC001083225742 735112053 /nfs/dbraw/zinc/11/20/53/735112053.db2.gz KSMQXOIRZGDSIP-ZWKOTPCHSA-N 1 1 338.411 0.971 20 30 ECEDMO C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)Cc2cc(C)n[nH]2)c1 ZINC001125547463 735118352 /nfs/dbraw/zinc/11/83/52/735118352.db2.gz ZKQNTGYHEHFCGY-UHFFFAOYSA-N 1 1 339.399 0.586 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001078197502 782476879 /nfs/dbraw/zinc/47/68/79/782476879.db2.gz MOBXNPXHYQHKMC-UKRRQHHQSA-N 1 1 327.388 0.144 20 30 ECEDMO C#CC[N@@H+]1CC=C(CCNC(=O)CS(=O)(=O)N(CC)CC)CC1 ZINC001161375800 735238402 /nfs/dbraw/zinc/23/84/02/735238402.db2.gz ATZAEAUHUAQHNX-UHFFFAOYSA-N 1 1 341.477 0.430 20 30 ECEDMO CN1C[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)NC1=O ZINC000972084488 735625659 /nfs/dbraw/zinc/62/56/59/735625659.db2.gz CQNVOOLUOZDNME-HOTGVXAUSA-N 1 1 341.415 0.615 20 30 ECEDMO CN1C[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3C#N)C2)NC1=O ZINC000972084806 735627174 /nfs/dbraw/zinc/62/71/74/735627174.db2.gz GGSZHSQEPXPWSC-HZPDHXFCSA-N 1 1 341.415 0.615 20 30 ECEDMO CN1C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3C#N)C2)NC1=O ZINC000972084806 735627176 /nfs/dbraw/zinc/62/71/76/735627176.db2.gz GGSZHSQEPXPWSC-HZPDHXFCSA-N 1 1 341.415 0.615 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000972112397 735656672 /nfs/dbraw/zinc/65/66/72/735656672.db2.gz PWXVSKVRIUQTNG-ZDUSSCGKSA-N 1 1 343.366 0.567 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3C#N)C2)n1 ZINC000972117360 735663315 /nfs/dbraw/zinc/66/33/15/735663315.db2.gz UHGHDTGTZNVMDC-CQSZACIVSA-N 1 1 325.376 0.428 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3C#N)C2)n1 ZINC000972117360 735663318 /nfs/dbraw/zinc/66/33/18/735663318.db2.gz UHGHDTGTZNVMDC-CQSZACIVSA-N 1 1 325.376 0.428 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC001098564392 735691574 /nfs/dbraw/zinc/69/15/74/735691574.db2.gz ZHGWMQRNWHNVPF-UHFFFAOYSA-N 1 1 332.404 0.036 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972205252 735782819 /nfs/dbraw/zinc/78/28/19/735782819.db2.gz CTBCFCBIEJLCJD-HIFRSBDPSA-N 1 1 345.378 0.411 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCOCC2)C1 ZINC000972246695 735835091 /nfs/dbraw/zinc/83/50/91/735835091.db2.gz QNZBZTUPXZYKDQ-QAPCUYQASA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCOCC2)C1 ZINC000972246695 735835095 /nfs/dbraw/zinc/83/50/95/735835095.db2.gz QNZBZTUPXZYKDQ-QAPCUYQASA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc4nc(C)nn43)[C@H]2C1 ZINC001083246304 735891947 /nfs/dbraw/zinc/89/19/47/735891947.db2.gz KMTKMNFBXRGQPE-UONOGXRCSA-N 1 1 328.376 0.144 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc4nc(C)nn43)[C@H]2C1 ZINC001083246304 735891950 /nfs/dbraw/zinc/89/19/50/735891950.db2.gz KMTKMNFBXRGQPE-UONOGXRCSA-N 1 1 328.376 0.144 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001098569677 736081913 /nfs/dbraw/zinc/08/19/13/736081913.db2.gz YBOSQPLNSQRIQM-UHFFFAOYSA-N 1 1 348.447 0.145 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1ccc(C)o1 ZINC001114939583 736091741 /nfs/dbraw/zinc/09/17/41/736091741.db2.gz KRLJDXYSVNOQSA-WVZRYYJFSA-N 1 1 329.400 0.487 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1ccc(C)o1 ZINC001114939583 736091744 /nfs/dbraw/zinc/09/17/44/736091744.db2.gz KRLJDXYSVNOQSA-WVZRYYJFSA-N 1 1 329.400 0.487 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)N2CCCCC2=O)CC1 ZINC001098571094 736156740 /nfs/dbraw/zinc/15/67/40/736156740.db2.gz MYBAEONUONSPGG-HNNXBMFYSA-N 1 1 335.448 0.306 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCc3sccc3C2)C1 ZINC001078219883 782512224 /nfs/dbraw/zinc/51/22/24/782512224.db2.gz QEGZCLZXLFSZTM-HUUCEWRRSA-N 1 1 335.473 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)C1=O ZINC000972434597 736186009 /nfs/dbraw/zinc/18/60/09/736186009.db2.gz XPUMCCSGWJWCPP-GJZGRUSLSA-N 1 1 331.420 0.272 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3ccccc3)C2)C1 ZINC000972449224 736225787 /nfs/dbraw/zinc/22/57/87/736225787.db2.gz IQFWXQPBZCKZTF-IBGZPJMESA-N 1 1 341.411 0.952 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3ccccc3)C2)C1 ZINC000972449224 736225793 /nfs/dbraw/zinc/22/57/93/736225793.db2.gz IQFWXQPBZCKZTF-IBGZPJMESA-N 1 1 341.411 0.952 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](C)OC)C[C@@H]32)cn1 ZINC001083252772 736240273 /nfs/dbraw/zinc/24/02/73/736240273.db2.gz CZKDJJWRTNPEPQ-XOKHGSTOSA-N 1 1 329.400 0.623 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC000972471342 736280719 /nfs/dbraw/zinc/28/07/19/736280719.db2.gz IWVVQMXGTJQLQY-KRWDZBQOSA-N 1 1 332.404 0.273 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC000972471342 736280722 /nfs/dbraw/zinc/28/07/22/736280722.db2.gz IWVVQMXGTJQLQY-KRWDZBQOSA-N 1 1 332.404 0.273 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 ZINC000972478800 736304517 /nfs/dbraw/zinc/30/45/17/736304517.db2.gz LFHJGVUAFTULBB-KRWDZBQOSA-N 1 1 331.420 0.167 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 ZINC000972478800 736304523 /nfs/dbraw/zinc/30/45/23/736304523.db2.gz LFHJGVUAFTULBB-KRWDZBQOSA-N 1 1 331.420 0.167 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 ZINC000972480886 736308763 /nfs/dbraw/zinc/30/87/63/736308763.db2.gz VFPPYZXRMHVRMO-QAPCUYQASA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 ZINC000972480886 736308766 /nfs/dbraw/zinc/30/87/66/736308766.db2.gz VFPPYZXRMHVRMO-QAPCUYQASA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)ccc3=O)[C@H]2C1 ZINC001083254765 736310052 /nfs/dbraw/zinc/31/00/52/736310052.db2.gz LFKYJSSXHMFTSP-JKSUJKDBSA-N 1 1 346.431 0.430 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](c2cccnc2)N(C)C)CC1 ZINC001098575053 736482215 /nfs/dbraw/zinc/48/22/15/736482215.db2.gz AAUZTODARHARBG-SFHVURJKSA-N 1 1 344.459 0.603 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)CC1 ZINC001098575207 736491198 /nfs/dbraw/zinc/49/11/98/736491198.db2.gz GTGXUNJVFKGITA-OAHLLOKOSA-N 1 1 337.464 0.716 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)nn1 ZINC000972518324 736536584 /nfs/dbraw/zinc/53/65/84/736536584.db2.gz TVYUMSNREROSBW-UKRRQHHQSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3ccnn3C)C2)C1=O ZINC001023267463 736632164 /nfs/dbraw/zinc/63/21/64/736632164.db2.gz UICJOBSPZRTAPD-GDBMZVCRSA-N 1 1 345.447 0.649 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001023296406 736656101 /nfs/dbraw/zinc/65/61/01/736656101.db2.gz WWSMFJHEVUMNFA-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001023319074 736679213 /nfs/dbraw/zinc/67/92/13/736679213.db2.gz SWTMMUPENKIOIB-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001023319081 736679335 /nfs/dbraw/zinc/67/93/35/736679335.db2.gz TVTZQPNBRPWPMP-RISCZKNCSA-N 1 1 343.387 0.133 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)c[nH]1 ZINC001023320153 736680296 /nfs/dbraw/zinc/68/02/96/736680296.db2.gz UBWFWMVJXYBZHL-SWLSCSKDSA-N 1 1 329.404 0.607 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccnc(OC)c3)C2)C1 ZINC000972551834 736701471 /nfs/dbraw/zinc/70/14/71/736701471.db2.gz HLXKQPZKTDUVCN-LJQANCHMSA-N 1 1 343.427 0.959 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccnc(OC)c3)C2)C1 ZINC000972551834 736701474 /nfs/dbraw/zinc/70/14/74/736701474.db2.gz HLXKQPZKTDUVCN-LJQANCHMSA-N 1 1 343.427 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC000972554319 736726725 /nfs/dbraw/zinc/72/67/25/736726725.db2.gz OBNJEUUBQLEUGG-RVKKMQEKSA-N 1 1 333.432 0.215 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC000972554319 736726728 /nfs/dbraw/zinc/72/67/28/736726728.db2.gz OBNJEUUBQLEUGG-RVKKMQEKSA-N 1 1 333.432 0.215 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023365903 736739841 /nfs/dbraw/zinc/73/98/41/736739841.db2.gz LJBOFDMTDOPMDH-HUUCEWRRSA-N 1 1 343.431 0.614 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2ccon2)C1 ZINC001059846894 751375697 /nfs/dbraw/zinc/37/56/97/751375697.db2.gz HOVPXTLOQFOJSM-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2ccon2)C1 ZINC001059846894 751375703 /nfs/dbraw/zinc/37/57/03/751375703.db2.gz HOVPXTLOQFOJSM-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cn(C)nn2)C1 ZINC001023424034 736806640 /nfs/dbraw/zinc/80/66/40/736806640.db2.gz MEVQFNAZRAJTTD-RDJZCZTQSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cn(C)nn2)C1 ZINC001023424034 736806643 /nfs/dbraw/zinc/80/66/43/736806643.db2.gz MEVQFNAZRAJTTD-RDJZCZTQSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001023439027 736834026 /nfs/dbraw/zinc/83/40/26/736834026.db2.gz MUVSPTXDPHNUPQ-AWEZNQCLSA-N 1 1 326.404 0.898 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)c1 ZINC001023583464 737039875 /nfs/dbraw/zinc/03/98/75/737039875.db2.gz IDJSXBSVQIXIBJ-UKRRQHHQSA-N 1 1 328.416 0.639 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001023626241 737106181 /nfs/dbraw/zinc/10/61/81/737106181.db2.gz XAUKADTXJHMUEW-AWEZNQCLSA-N 1 1 348.447 0.492 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628730 737152786 /nfs/dbraw/zinc/15/27/86/737152786.db2.gz VAPDKGVAQGEKFP-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628730 737152787 /nfs/dbraw/zinc/15/27/87/737152787.db2.gz VAPDKGVAQGEKFP-QFBILLFUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972635600 737185281 /nfs/dbraw/zinc/18/52/81/737185281.db2.gz SGFGBMKDUFZXRG-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972635600 737185282 /nfs/dbraw/zinc/18/52/82/737185282.db2.gz SGFGBMKDUFZXRG-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001023699620 737218114 /nfs/dbraw/zinc/21/81/14/737218114.db2.gz GHMJLRLOPBTQBS-LLVKDONJSA-N 1 1 334.376 0.362 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001023728648 737253605 /nfs/dbraw/zinc/25/36/05/737253605.db2.gz ALVNSYJUTCTILY-AWEZNQCLSA-N 1 1 328.416 0.906 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655155 737261139 /nfs/dbraw/zinc/26/11/39/737261139.db2.gz DMMVDDMICXIWKB-WMZOPIPTSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655155 737261141 /nfs/dbraw/zinc/26/11/41/737261141.db2.gz DMMVDDMICXIWKB-WMZOPIPTSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncnc3CC)C2)C1 ZINC000972682212 737370207 /nfs/dbraw/zinc/37/02/07/737370207.db2.gz DSOLKVYDBUXBPE-GOSISDBHSA-N 1 1 328.416 0.979 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncnc3CC)C2)C1 ZINC000972682212 737370212 /nfs/dbraw/zinc/37/02/12/737370212.db2.gz DSOLKVYDBUXBPE-GOSISDBHSA-N 1 1 328.416 0.979 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000972685444 737377037 /nfs/dbraw/zinc/37/70/37/737377037.db2.gz WOJVKEFFPIHFAC-LLVKDONJSA-N 1 1 328.800 0.214 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000972685444 737377041 /nfs/dbraw/zinc/37/70/41/737377041.db2.gz WOJVKEFFPIHFAC-LLVKDONJSA-N 1 1 328.800 0.214 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC000972700355 737454217 /nfs/dbraw/zinc/45/42/17/737454217.db2.gz WBGOPJOULUQQLE-YOEHRIQHSA-N 1 1 336.436 0.409 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC000972700355 737454221 /nfs/dbraw/zinc/45/42/21/737454221.db2.gz WBGOPJOULUQQLE-YOEHRIQHSA-N 1 1 336.436 0.409 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCN(CC)C3=O)C2)cn1 ZINC000972754931 737595537 /nfs/dbraw/zinc/59/55/37/737595537.db2.gz AAPQAKOCYJFTPQ-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)OC)C[C@H]21 ZINC000972834626 737759135 /nfs/dbraw/zinc/75/91/35/737759135.db2.gz CHLAUYAROWJIBP-LVQVYYBASA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)OC)C[C@H]21 ZINC000972834626 737759138 /nfs/dbraw/zinc/75/91/38/737759138.db2.gz CHLAUYAROWJIBP-LVQVYYBASA-N 1 1 333.432 0.178 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cnc(C)[nH]3)C(C)(C)C2)C1=O ZINC000972859171 737771530 /nfs/dbraw/zinc/77/15/30/737771530.db2.gz HOYZWHKOTQMRKD-LSDHHAIUSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cnc(C)[nH]3)C(C)(C)C2)C1=O ZINC000972859171 737771531 /nfs/dbraw/zinc/77/15/31/737771531.db2.gz HOYZWHKOTQMRKD-LSDHHAIUSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cnc(C)[nH]3)C(C)(C)C2)C1=O ZINC000972859170 737771848 /nfs/dbraw/zinc/77/18/48/737771848.db2.gz HOYZWHKOTQMRKD-HUUCEWRRSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cnc(C)[nH]3)C(C)(C)C2)C1=O ZINC000972859170 737771851 /nfs/dbraw/zinc/77/18/51/737771851.db2.gz HOYZWHKOTQMRKD-HUUCEWRRSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cocn3)C(C)(C)C2)C1=O ZINC000972863878 737781475 /nfs/dbraw/zinc/78/14/75/737781475.db2.gz QGHFSYOXRMXLCK-UONOGXRCSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cocn3)C(C)(C)C2)C1=O ZINC000972863878 737781480 /nfs/dbraw/zinc/78/14/80/737781480.db2.gz QGHFSYOXRMXLCK-UONOGXRCSA-N 1 1 332.404 0.902 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N2CCC2)[nH]1 ZINC001024398481 737939692 /nfs/dbraw/zinc/93/96/92/737939692.db2.gz OTAPHMSVVFNDPC-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N2CCC2)[nH]1 ZINC001024398481 737939694 /nfs/dbraw/zinc/93/96/94/737939694.db2.gz OTAPHMSVVFNDPC-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ncc[nH]2)C1=O ZINC001024432037 737968172 /nfs/dbraw/zinc/96/81/72/737968172.db2.gz RLQJKYOXUPIGEV-UONOGXRCSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ncc[nH]2)C1=O ZINC001024432037 737968176 /nfs/dbraw/zinc/96/81/76/737968176.db2.gz RLQJKYOXUPIGEV-UONOGXRCSA-N 1 1 331.420 0.781 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnc(COC)s2)CC1 ZINC001098586361 737996769 /nfs/dbraw/zinc/99/67/69/737996769.db2.gz DUYKBTPJOZNCKM-UHFFFAOYSA-N 1 1 337.445 0.822 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039761097 738045085 /nfs/dbraw/zinc/04/50/85/738045085.db2.gz YSZTWCJPFCWTOI-KSSFIOAISA-N 1 1 337.464 0.620 20 30 ECEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001024541755 738082092 /nfs/dbraw/zinc/08/20/92/738082092.db2.gz QHPVYAIUIHGDLM-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001024576039 738122677 /nfs/dbraw/zinc/12/26/77/738122677.db2.gz OUCLGMDSZNZDCW-CYBMUJFWSA-N 1 1 327.388 0.549 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001024576039 738122678 /nfs/dbraw/zinc/12/26/78/738122678.db2.gz OUCLGMDSZNZDCW-CYBMUJFWSA-N 1 1 327.388 0.549 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@@H]21 ZINC001087299631 738163550 /nfs/dbraw/zinc/16/35/50/738163550.db2.gz ZQRKZSOIYOMLQM-ZTFGCOKTSA-N 1 1 346.475 0.047 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001024758970 738274039 /nfs/dbraw/zinc/27/40/39/738274039.db2.gz CCNQTQHIUDKRQN-CYBMUJFWSA-N 1 1 344.419 0.968 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cn(C)c(=O)n1C ZINC001087320025 738293898 /nfs/dbraw/zinc/29/38/98/738293898.db2.gz XVGHYBUTIDOHEK-VNQPRFMTSA-N 1 1 344.459 0.966 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2nonc2C)C1=O ZINC001024824914 738325815 /nfs/dbraw/zinc/32/58/15/738325815.db2.gz ALGPQSKWAKZXLD-KGLIPLIRSA-N 1 1 347.419 0.749 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2nonc2C)C1=O ZINC001024824914 738325820 /nfs/dbraw/zinc/32/58/20/738325820.db2.gz ALGPQSKWAKZXLD-KGLIPLIRSA-N 1 1 347.419 0.749 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025241535 738906814 /nfs/dbraw/zinc/90/68/14/738906814.db2.gz YDDSPJRHSIIRLY-HOTGVXAUSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CC2OCCCO2)C1 ZINC000973205461 738912364 /nfs/dbraw/zinc/91/23/64/738912364.db2.gz OPIADAHBWGLYRG-KKUMJFAQSA-N 1 1 349.431 0.001 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CC2OCCCO2)C1 ZINC000973205461 738912366 /nfs/dbraw/zinc/91/23/66/738912366.db2.gz OPIADAHBWGLYRG-KKUMJFAQSA-N 1 1 349.431 0.001 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 ZINC001025246333 738920444 /nfs/dbraw/zinc/92/04/44/738920444.db2.gz VTIBSBRVHXXZST-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2cncc(C#N)n2)C1 ZINC001104578736 739002263 /nfs/dbraw/zinc/00/22/63/739002263.db2.gz CSTDMLBQVVATRX-GXTWGEPZSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2cncc(C#N)n2)C1 ZINC001104578736 739002269 /nfs/dbraw/zinc/00/22/69/739002269.db2.gz CSTDMLBQVVATRX-GXTWGEPZSA-N 1 1 332.408 0.328 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)cc1 ZINC001028182826 751404818 /nfs/dbraw/zinc/40/48/18/751404818.db2.gz FZNVINWIMORXHS-DOTOQJQBSA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCNC2=O)cc1 ZINC001028182826 751404821 /nfs/dbraw/zinc/40/48/21/751404821.db2.gz FZNVINWIMORXHS-DOTOQJQBSA-N 1 1 341.411 0.781 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025295894 739015778 /nfs/dbraw/zinc/01/57/78/739015778.db2.gz HPGQLQAYEHYGOK-HUUCEWRRSA-N 1 1 348.447 0.960 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001025296308 739015978 /nfs/dbraw/zinc/01/59/78/739015978.db2.gz JIJKUEMEEDEPAS-CABCVRRESA-N 1 1 348.447 0.912 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2nc(C)cc(C#N)n2)C1 ZINC001104579261 739020657 /nfs/dbraw/zinc/02/06/57/739020657.db2.gz LPSPWAJKTJLZAS-UKRRQHHQSA-N 1 1 346.435 0.636 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2nc(C)cc(C#N)n2)C1 ZINC001104579261 739020659 /nfs/dbraw/zinc/02/06/59/739020659.db2.gz LPSPWAJKTJLZAS-UKRRQHHQSA-N 1 1 346.435 0.636 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2nc(C)cc(C#N)n2)C1 ZINC001104579262 739020963 /nfs/dbraw/zinc/02/09/63/739020963.db2.gz LPSPWAJKTJLZAS-ZFWWWQNUSA-N 1 1 346.435 0.636 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2nc(C)cc(C#N)n2)C1 ZINC001104579262 739020968 /nfs/dbraw/zinc/02/09/68/739020968.db2.gz LPSPWAJKTJLZAS-ZFWWWQNUSA-N 1 1 346.435 0.636 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001083279784 739105976 /nfs/dbraw/zinc/10/59/76/739105976.db2.gz PJJFFCINCIYLBI-LSDHHAIUSA-N 1 1 343.431 0.170 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001083279784 739105977 /nfs/dbraw/zinc/10/59/77/739105977.db2.gz PJJFFCINCIYLBI-LSDHHAIUSA-N 1 1 343.431 0.170 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(C)ncn2)nn1 ZINC001028187554 751421919 /nfs/dbraw/zinc/42/19/19/751421919.db2.gz KTPWTOVOLPNGSG-OAHLLOKOSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(C)ncn2)nn1 ZINC001028187554 751421922 /nfs/dbraw/zinc/42/19/22/751421922.db2.gz KTPWTOVOLPNGSG-OAHLLOKOSA-N 1 1 341.419 0.957 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CCN2C(=O)CCC2=O)CC1 ZINC000981990988 751423450 /nfs/dbraw/zinc/42/34/50/751423450.db2.gz ZWHDWCFBYKMBHQ-CABCVRRESA-N 1 1 349.431 0.261 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CCN2C(=O)CCC2=O)CC1 ZINC000981990988 751423455 /nfs/dbraw/zinc/42/34/55/751423455.db2.gz ZWHDWCFBYKMBHQ-CABCVRRESA-N 1 1 349.431 0.261 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)N(C)C)nn1 ZINC001028192155 751431323 /nfs/dbraw/zinc/43/13/23/751431323.db2.gz HLLCTPGGYHCSTM-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C)nn1 ZINC001028192155 751431327 /nfs/dbraw/zinc/43/13/27/751431327.db2.gz HLLCTPGGYHCSTM-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001025389671 739352892 /nfs/dbraw/zinc/35/28/92/739352892.db2.gz YWUPUMNLLNJFOB-OLZOCXBDSA-N 1 1 331.420 0.805 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001025545117 739706658 /nfs/dbraw/zinc/70/66/58/739706658.db2.gz HAKAZFFJQZYLNU-UONOGXRCSA-N 1 1 348.447 0.490 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)c(C)sc3=O)[C@H]2C1 ZINC001083283680 739744316 /nfs/dbraw/zinc/74/43/16/739744316.db2.gz NPUAAGWODWZNER-UONOGXRCSA-N 1 1 337.445 0.624 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)c(C)sc3=O)[C@H]2C1 ZINC001083283680 739744318 /nfs/dbraw/zinc/74/43/18/739744318.db2.gz NPUAAGWODWZNER-UONOGXRCSA-N 1 1 337.445 0.624 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001025593265 739754829 /nfs/dbraw/zinc/75/48/29/739754829.db2.gz AKUXDDYOHKDCFD-CHWSQXEVSA-N 1 1 342.403 0.271 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC(=O)NC)C2)nc1 ZINC001025598292 739763271 /nfs/dbraw/zinc/76/32/71/739763271.db2.gz XZEATLDEECRCJH-UKRRQHHQSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001025605647 739770284 /nfs/dbraw/zinc/77/02/84/739770284.db2.gz KBTYECZKDPPIJW-KBPBESRZSA-N 1 1 328.416 0.905 20 30 ECEDMO C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001058661448 739960885 /nfs/dbraw/zinc/96/08/85/739960885.db2.gz WPZIZUKALBNLRY-HNNXBMFYSA-N 1 1 346.431 0.215 20 30 ECEDMO C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001058661448 739960890 /nfs/dbraw/zinc/96/08/90/739960890.db2.gz WPZIZUKALBNLRY-HNNXBMFYSA-N 1 1 346.431 0.215 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070006577 790307263 /nfs/dbraw/zinc/30/72/63/790307263.db2.gz DTGFEVKORJHAMQ-IMJJTQAJSA-N 1 1 341.419 0.789 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(Nc3ccc(C#N)cn3)CCC2)C1 ZINC001111777654 740229599 /nfs/dbraw/zinc/22/95/99/740229599.db2.gz MUQRXEWIVVHIEI-CQSZACIVSA-N 1 1 329.404 0.735 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(Nc3ccc(C#N)cn3)CCC2)C1 ZINC001111777654 740229604 /nfs/dbraw/zinc/22/96/04/740229604.db2.gz MUQRXEWIVVHIEI-CQSZACIVSA-N 1 1 329.404 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)on2)C1 ZINC000973851106 740482281 /nfs/dbraw/zinc/48/22/81/740482281.db2.gz RWNGQXMSJDKZFA-GUTXKFCHSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)on2)C1 ZINC000973851106 740482283 /nfs/dbraw/zinc/48/22/83/740482283.db2.gz RWNGQXMSJDKZFA-GUTXKFCHSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC000973866559 740506523 /nfs/dbraw/zinc/50/65/23/740506523.db2.gz NYPMKEBKZKHVDZ-ZNMIVQPWSA-N 1 1 344.415 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC000973866559 740506526 /nfs/dbraw/zinc/50/65/26/740506526.db2.gz NYPMKEBKZKHVDZ-ZNMIVQPWSA-N 1 1 344.415 0.766 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104854136 740723324 /nfs/dbraw/zinc/72/33/24/740723324.db2.gz AIAGDKAKBCLKFW-UONOGXRCSA-N 1 1 330.436 0.903 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000988111179 751573797 /nfs/dbraw/zinc/57/37/97/751573797.db2.gz UGRHPZBKSKAEBO-OJLVUWQFSA-N 1 1 346.431 0.888 20 30 ECEDMO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]21 ZINC001026306713 740800609 /nfs/dbraw/zinc/80/06/09/740800609.db2.gz PJAHYACUOJVGOX-USXIJHARSA-N 1 1 344.459 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000974037541 740817105 /nfs/dbraw/zinc/81/71/05/740817105.db2.gz OZMZTXPOTKQCOS-FZKCQIBNSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000974037541 740817106 /nfs/dbraw/zinc/81/71/06/740817106.db2.gz OZMZTXPOTKQCOS-FZKCQIBNSA-N 1 1 333.432 0.417 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000974052970 740852908 /nfs/dbraw/zinc/85/29/08/740852908.db2.gz CJUKTCCTBRYQLA-NZBPQXDJSA-N 1 1 343.431 0.994 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974189866 741079177 /nfs/dbraw/zinc/07/91/77/741079177.db2.gz JRYCBOJDXXVCHQ-UUAJXVIYSA-N 1 1 346.475 0.188 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c(C)ncn2C)C1 ZINC000974229574 741139552 /nfs/dbraw/zinc/13/95/52/741139552.db2.gz LVKITTWYFDMRIG-ZNMIVQPWSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c(C)ncn2C)C1 ZINC000974229574 741139555 /nfs/dbraw/zinc/13/95/55/741139555.db2.gz LVKITTWYFDMRIG-ZNMIVQPWSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1cnc(C)cn1 ZINC001038367723 741162194 /nfs/dbraw/zinc/16/21/94/741162194.db2.gz MXHYJMLGQZPDMV-IRXDYDNUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1cnc(C)cn1 ZINC001038367723 741162195 /nfs/dbraw/zinc/16/21/95/741162195.db2.gz MXHYJMLGQZPDMV-IRXDYDNUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1noc(CCC)n1 ZINC001038368947 741251496 /nfs/dbraw/zinc/25/14/96/741251496.db2.gz SGOSSSXNWCHLJU-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1noc(CCC)n1 ZINC001038368947 741251499 /nfs/dbraw/zinc/25/14/99/741251499.db2.gz SGOSSSXNWCHLJU-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1ncnn1CCF ZINC001038369008 741256572 /nfs/dbraw/zinc/25/65/72/741256572.db2.gz SOWQIOYHJUXGDN-CABCVRRESA-N 1 1 348.426 0.036 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1ncnn1CCF ZINC001038369008 741256575 /nfs/dbraw/zinc/25/65/75/741256575.db2.gz SOWQIOYHJUXGDN-CABCVRRESA-N 1 1 348.426 0.036 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3ccncc3)C2)nn1 ZINC001105133174 741405176 /nfs/dbraw/zinc/40/51/76/741405176.db2.gz SXQFHMFVOVUIEP-UHFFFAOYSA-N 1 1 342.403 0.662 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](Nc2ccc(C#N)nn2)C(C)C)C1 ZINC001105188578 741455573 /nfs/dbraw/zinc/45/55/73/741455573.db2.gz FAVUWBOIGRTHQG-GJZGRUSLSA-N 1 1 346.435 0.622 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](Nc2ccc(C#N)nn2)C(C)C)C1 ZINC001105188578 741455576 /nfs/dbraw/zinc/45/55/76/741455576.db2.gz FAVUWBOIGRTHQG-GJZGRUSLSA-N 1 1 346.435 0.622 20 30 ECEDMO C#CCCCCC(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001105219731 741484415 /nfs/dbraw/zinc/48/44/15/741484415.db2.gz NVMDPRRIPBMUJN-CQSZACIVSA-N 1 1 333.436 0.980 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCNC2=O)cc1 ZINC001038371502 741505012 /nfs/dbraw/zinc/50/50/12/741505012.db2.gz KDIKPQVPIAAKAY-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCNC2=O)cc1 ZINC001038371502 741505016 /nfs/dbraw/zinc/50/50/16/741505016.db2.gz KDIKPQVPIAAKAY-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccncc3C)C2)nn1 ZINC001105240208 741530607 /nfs/dbraw/zinc/53/06/07/741530607.db2.gz CTTLMSAPUBQSJT-UHFFFAOYSA-N 1 1 326.404 0.883 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CCOC(C)C)nn2)C1 ZINC001105240556 741533503 /nfs/dbraw/zinc/53/35/03/741533503.db2.gz RMBQWZVWWUOHGS-CQSZACIVSA-N 1 1 349.435 0.214 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CN(C)C(=O)C3CC3)C2)nn1 ZINC001105253930 741566950 /nfs/dbraw/zinc/56/69/50/741566950.db2.gz KXOIXMRSWLZYAR-UHFFFAOYSA-N 1 1 346.435 0.196 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105256582 741571160 /nfs/dbraw/zinc/57/11/60/741571160.db2.gz JUUXIAKRVLFFGW-OAHLLOKOSA-N 1 1 331.424 0.149 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259766 741585898 /nfs/dbraw/zinc/58/58/98/741585898.db2.gz LQQWTXHKTYDYIX-MRXNPFEDSA-N 1 1 330.436 0.115 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)COCc3cc(C)on3)C2)nn1 ZINC001105268316 741610183 /nfs/dbraw/zinc/61/01/83/741610183.db2.gz JBAFXNGQCOZFFQ-UHFFFAOYSA-N 1 1 346.391 0.450 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268508 741610874 /nfs/dbraw/zinc/61/08/74/741610874.db2.gz QHURMIWIBDPUCR-NVXWUHKLSA-N 1 1 344.463 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C ZINC001026618420 741619921 /nfs/dbraw/zinc/61/99/21/741619921.db2.gz WDOCDHZTAORZDI-MCIONIFRSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C ZINC001026618420 741619923 /nfs/dbraw/zinc/61/99/23/741619923.db2.gz WDOCDHZTAORZDI-MCIONIFRSA-N 1 1 329.404 0.084 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(COC)o3)C2)nn1 ZINC001105278613 741634119 /nfs/dbraw/zinc/63/41/19/741634119.db2.gz NOERLCRKNGZDFD-UHFFFAOYSA-N 1 1 331.376 0.990 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1nccnc1C#N ZINC001105302746 741696375 /nfs/dbraw/zinc/69/63/75/741696375.db2.gz SUCMCSIWFWXDOT-BPLDGKMQSA-N 1 1 346.435 0.620 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1nccnc1C#N ZINC001105302746 741696377 /nfs/dbraw/zinc/69/63/77/741696377.db2.gz SUCMCSIWFWXDOT-BPLDGKMQSA-N 1 1 346.435 0.620 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000982153976 751660501 /nfs/dbraw/zinc/66/05/01/751660501.db2.gz MRVGOTMUNISKMP-UHFFFAOYSA-N 1 1 326.400 0.742 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)Cc3cnoc3)C2)nn1 ZINC001105309997 741719420 /nfs/dbraw/zinc/71/94/20/741719420.db2.gz LREJNRGCZPRSIR-UHFFFAOYSA-N 1 1 346.391 0.184 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058730661 741762725 /nfs/dbraw/zinc/76/27/25/741762725.db2.gz DCQLEYKNUPNVOE-YOEHRIQHSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001105318630 741763544 /nfs/dbraw/zinc/76/35/44/741763544.db2.gz IIQMHDNDXXDMLD-UHFFFAOYSA-N 1 1 332.452 0.669 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974639625 741960681 /nfs/dbraw/zinc/96/06/81/741960681.db2.gz ITIXGDGUUGZQRI-LSDHHAIUSA-N 1 1 335.448 0.331 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000974661357 741968373 /nfs/dbraw/zinc/96/83/73/741968373.db2.gz XROTZPFJCWMEPV-AWEZNQCLSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(=O)C3CC3)C2)nn1 ZINC001098622853 742073637 /nfs/dbraw/zinc/07/36/37/742073637.db2.gz RATRMEVJPIQBLJ-OAHLLOKOSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccnn2C)CC1(C)C ZINC000974706709 742084747 /nfs/dbraw/zinc/08/47/47/742084747.db2.gz WRHFXNKPTITOSV-IRXDYDNUSA-N 1 1 343.475 0.844 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccnn2C)CC1(C)C ZINC000974706709 742084750 /nfs/dbraw/zinc/08/47/50/742084750.db2.gz WRHFXNKPTITOSV-IRXDYDNUSA-N 1 1 343.475 0.844 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C2CC2)n1 ZINC001114939749 742123232 /nfs/dbraw/zinc/12/32/32/742123232.db2.gz NVZMJCXCQHWUSA-PBOSXPJTSA-N 1 1 342.399 0.350 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C2CC2)n1 ZINC001114939749 742123233 /nfs/dbraw/zinc/12/32/33/742123233.db2.gz NVZMJCXCQHWUSA-PBOSXPJTSA-N 1 1 342.399 0.350 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974742183 742140634 /nfs/dbraw/zinc/14/06/34/742140634.db2.gz MPBHDFGHAHUGFQ-STQMWFEESA-N 1 1 331.420 0.396 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974749980 742144680 /nfs/dbraw/zinc/14/46/80/742144680.db2.gz HBGLFXZRUKAJPM-GFCCVEGCSA-N 1 1 339.417 0.391 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000974853740 742262566 /nfs/dbraw/zinc/26/25/66/742262566.db2.gz AQJIXQUDBLZRGM-HNNXBMFYSA-N 1 1 341.415 0.795 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000974853740 742262570 /nfs/dbraw/zinc/26/25/70/742262570.db2.gz AQJIXQUDBLZRGM-HNNXBMFYSA-N 1 1 341.415 0.795 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974999513 742427923 /nfs/dbraw/zinc/42/79/23/742427923.db2.gz WODZQRDBIDCOSE-GJZGRUSLSA-N 1 1 341.415 0.566 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974999513 742427926 /nfs/dbraw/zinc/42/79/26/742427926.db2.gz WODZQRDBIDCOSE-GJZGRUSLSA-N 1 1 341.415 0.566 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000975000453 742428260 /nfs/dbraw/zinc/42/82/60/742428260.db2.gz YETLACXEJBUMLK-JKSUJKDBSA-N 1 1 340.427 0.546 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000975000453 742428263 /nfs/dbraw/zinc/42/82/63/742428263.db2.gz YETLACXEJBUMLK-JKSUJKDBSA-N 1 1 340.427 0.546 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)nn1 ZINC001105337007 742440245 /nfs/dbraw/zinc/44/02/45/742440245.db2.gz PEYHJYDZBXKDJO-QGZVFWFLSA-N 1 1 344.463 0.647 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](C[C@H](O)Cn3cccn3)C[C@]2(C)C1 ZINC000982233512 751738853 /nfs/dbraw/zinc/73/88/53/751738853.db2.gz SEUJJZJESSELTB-UOVPBQLFSA-N 1 1 345.447 0.574 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000975198773 742592464 /nfs/dbraw/zinc/59/24/64/742592464.db2.gz ZQJBYQOIZCDYRM-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC000975267582 742676764 /nfs/dbraw/zinc/67/67/64/742676764.db2.gz XOTRPFGEYYRZMX-CABCVRRESA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC000975267582 742676765 /nfs/dbraw/zinc/67/67/65/742676765.db2.gz XOTRPFGEYYRZMX-CABCVRRESA-N 1 1 343.431 0.476 20 30 ECEDMO N#Cc1nccnc1N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001058926849 751766141 /nfs/dbraw/zinc/76/61/41/751766141.db2.gz OJBWMFQBDRXXMT-ZDUSSCGKSA-N 1 1 330.392 0.083 20 30 ECEDMO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCC(=O)N1 ZINC001028935792 742916760 /nfs/dbraw/zinc/91/67/60/742916760.db2.gz LWNTWODMHFURLQ-IRXDYDNUSA-N 1 1 325.412 0.755 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001028968331 743018181 /nfs/dbraw/zinc/01/81/81/743018181.db2.gz NPNMBDOSMJMSNR-CQSZACIVSA-N 1 1 326.404 0.816 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1 ZINC000982258600 751785572 /nfs/dbraw/zinc/78/55/72/751785572.db2.gz LBRQEBUCILVBIR-UYHISHBKSA-N 1 1 343.431 0.805 20 30 ECEDMO CC[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCC[C@@]2(CCCOC2)C1 ZINC000261952581 743110364 /nfs/dbraw/zinc/11/03/64/743110364.db2.gz LRDOKCODANQZJW-IEBWSBKVSA-N 1 1 349.523 0.844 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(COC)no3)C2)c1 ZINC001020567406 751802318 /nfs/dbraw/zinc/80/23/18/751802318.db2.gz AATIHRZJLDFNFL-HDJSIYSDSA-N 1 1 341.371 0.643 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000997084502 743211135 /nfs/dbraw/zinc/21/11/35/743211135.db2.gz XWWZOLBMNQXXDS-INIZCTEOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000997104202 743240721 /nfs/dbraw/zinc/24/07/21/743240721.db2.gz QGJZGZVWLIHQMQ-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC000997212205 743355861 /nfs/dbraw/zinc/35/58/61/743355861.db2.gz WBOJGUYLHFGGNH-UHFFFAOYSA-N 1 1 338.415 0.515 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC000975854274 743356583 /nfs/dbraw/zinc/35/65/83/743356583.db2.gz OGTQXFIBOPUALP-HOTGVXAUSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC000975854274 743356592 /nfs/dbraw/zinc/35/65/92/743356592.db2.gz OGTQXFIBOPUALP-HOTGVXAUSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CCC)n[nH]2)C1 ZINC000997305364 743467910 /nfs/dbraw/zinc/46/79/10/743467910.db2.gz LIKRHKJLODGIQG-INIZCTEOSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CCC)n[nH]2)C1 ZINC000997305364 743467914 /nfs/dbraw/zinc/46/79/14/743467914.db2.gz LIKRHKJLODGIQG-INIZCTEOSA-N 1 1 343.431 0.400 20 30 ECEDMO C[C@H]([NH2+]Cc1nnn(C)n1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001029075781 743544634 /nfs/dbraw/zinc/54/46/34/743544634.db2.gz JUPSHXRNJRJZSA-NSHDSACASA-N 1 1 342.407 0.440 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cocn3)C2)C1=O ZINC001027331026 743767673 /nfs/dbraw/zinc/76/76/73/743767673.db2.gz YNTKSMZMOWNPRX-ZFWWWQNUSA-N 1 1 332.404 0.998 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)Cc3ccon3)C2)C1=O ZINC001027338471 743808936 /nfs/dbraw/zinc/80/89/36/743808936.db2.gz KMBBCEYGCHUQOT-JKSUJKDBSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(C[NH2+]Cc3nc(C)no3)CC2)nn1 ZINC000998143957 744003113 /nfs/dbraw/zinc/00/31/13/744003113.db2.gz VRCYQIGCGZBUEU-UHFFFAOYSA-N 1 1 345.407 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC000998190055 744040683 /nfs/dbraw/zinc/04/06/83/744040683.db2.gz SAFQUJDAWMQQCJ-IRXDYDNUSA-N 1 1 335.448 0.570 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000998193804 744042684 /nfs/dbraw/zinc/04/26/84/744042684.db2.gz CDFOWKCBSWTGDU-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000998200173 744046551 /nfs/dbraw/zinc/04/65/51/744046551.db2.gz SUTOUSNMMFMXKO-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(C[NH2+]Cc3nnn(C)n3)CC2)nc1 ZINC000998226456 744062784 /nfs/dbraw/zinc/06/27/84/744062784.db2.gz IPZAARUQOFLSLL-UHFFFAOYSA-N 1 1 339.403 0.228 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001058771032 744084334 /nfs/dbraw/zinc/08/43/34/744084334.db2.gz ONNIRASPVNTJQG-GJZGRUSLSA-N 1 1 337.464 0.478 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001006833827 751886563 /nfs/dbraw/zinc/88/65/63/751886563.db2.gz LDRQITIAPWCGNA-HIFRSBDPSA-N 1 1 340.427 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccns1 ZINC000976627877 744164671 /nfs/dbraw/zinc/16/46/71/744164671.db2.gz SWIGAMSJMYXAIE-SFDCQRBFSA-N 1 1 344.440 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccns1 ZINC000976627877 744164674 /nfs/dbraw/zinc/16/46/74/744164674.db2.gz SWIGAMSJMYXAIE-SFDCQRBFSA-N 1 1 344.440 0.427 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000976672062 744204532 /nfs/dbraw/zinc/20/45/32/744204532.db2.gz QURUNBPEMDNHKY-VXNCWWDNSA-N 1 1 343.471 0.951 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000998589673 744246435 /nfs/dbraw/zinc/24/64/35/744246435.db2.gz VQIZSMHGJBFSEZ-LSDHHAIUSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3nc(C)c[nH]3)C[C@H]21 ZINC000976733829 744258229 /nfs/dbraw/zinc/25/82/29/744258229.db2.gz DSAISTVVMIBSAJ-LJISPDSOSA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3nc(C)c[nH]3)C[C@H]21 ZINC000976733829 744258233 /nfs/dbraw/zinc/25/82/33/744258233.db2.gz DSAISTVVMIBSAJ-LJISPDSOSA-N 1 1 341.415 0.002 20 30 ECEDMO CN(C)c1noc(C[NH2+]C2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998655383 744270353 /nfs/dbraw/zinc/27/03/53/744270353.db2.gz QCCPKFJEDHEPET-UHFFFAOYSA-N 1 1 343.391 0.728 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3[nH]ccc3C)C[C@H]21 ZINC000976741794 744277624 /nfs/dbraw/zinc/27/76/24/744277624.db2.gz QHCXIPBDFZLQPP-QSJFSLAZSA-N 1 1 340.427 0.607 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3[nH]ccc3C)C[C@H]21 ZINC000976741794 744277627 /nfs/dbraw/zinc/27/76/27/744277627.db2.gz QHCXIPBDFZLQPP-QSJFSLAZSA-N 1 1 340.427 0.607 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000976763891 744304869 /nfs/dbraw/zinc/30/48/69/744304869.db2.gz VSZHSZCCXCEOHT-ILYVXUQDSA-N 1 1 341.455 0.990 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC000998750652 744314350 /nfs/dbraw/zinc/31/43/50/744314350.db2.gz FIUDPVCYKJTIJC-VHSXEESVSA-N 1 1 345.329 0.476 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000998841510 744368831 /nfs/dbraw/zinc/36/88/31/744368831.db2.gz BXSQKBNSWVNGNK-CYBMUJFWSA-N 1 1 327.392 0.892 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000998961407 744432280 /nfs/dbraw/zinc/43/22/80/744432280.db2.gz MSQBIRIRKXXFBG-CYBMUJFWSA-N 1 1 342.407 0.677 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC000976860798 744440931 /nfs/dbraw/zinc/44/09/31/744440931.db2.gz HEXZYNGQSHKGCW-LCSDZXHASA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocc1C ZINC000976983434 744553779 /nfs/dbraw/zinc/55/37/79/744553779.db2.gz CIFWQKIKXIZUIK-HDEZJCGLSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocc1C ZINC000976983434 744553780 /nfs/dbraw/zinc/55/37/80/744553780.db2.gz CIFWQKIKXIZUIK-HDEZJCGLSA-N 1 1 341.411 0.872 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999183623 744554613 /nfs/dbraw/zinc/55/46/13/744554613.db2.gz VSFLOXIOYLFGJD-IMJJTQAJSA-N 1 1 333.436 0.877 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC000999319460 744623660 /nfs/dbraw/zinc/62/36/60/744623660.db2.gz IOXPETURXWPFCK-ZDUSSCGKSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001027472133 744665750 /nfs/dbraw/zinc/66/57/50/744665750.db2.gz ZEKNAUPACFYPSK-AWEZNQCLSA-N 1 1 342.871 0.436 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001027472133 744665752 /nfs/dbraw/zinc/66/57/52/744665752.db2.gz ZEKNAUPACFYPSK-AWEZNQCLSA-N 1 1 342.871 0.436 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3ncccn3)C2)nn1 ZINC000999522805 744737085 /nfs/dbraw/zinc/73/70/85/744737085.db2.gz KQSFKESAGQENEC-UHFFFAOYSA-N 1 1 327.392 0.647 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001027515143 744920207 /nfs/dbraw/zinc/92/02/07/744920207.db2.gz VKFAKCIQONXMJN-AWEZNQCLSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3ncccn3)C(C)(C)C2)C1=O ZINC000977393202 744920838 /nfs/dbraw/zinc/92/08/38/744920838.db2.gz TWWDTAMJOZKGKJ-KBPBESRZSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3ncccn3)C(C)(C)C2)C1=O ZINC000977393202 744920843 /nfs/dbraw/zinc/92/08/43/744920843.db2.gz TWWDTAMJOZKGKJ-KBPBESRZSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC000999853693 744947434 /nfs/dbraw/zinc/94/74/34/744947434.db2.gz USPQGNUILFVBOJ-ZDUSSCGKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccnn3C)C2)C1=O ZINC001006901712 751958545 /nfs/dbraw/zinc/95/85/45/751958545.db2.gz XNHNTIIDKWBBAE-ZFWWWQNUSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccnn3C)C2)C1=O ZINC001006901712 751958551 /nfs/dbraw/zinc/95/85/51/751958551.db2.gz XNHNTIIDKWBBAE-ZFWWWQNUSA-N 1 1 331.420 0.401 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977430824 744987868 /nfs/dbraw/zinc/98/78/68/744987868.db2.gz AHTLWTLCZFDTEB-ZFWWWQNUSA-N 1 1 331.420 0.703 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cn3cccn3)on2)C(C)(C)C1 ZINC000977457843 745021083 /nfs/dbraw/zinc/02/10/83/745021083.db2.gz FRJJBGIHIYVBQT-OAHLLOKOSA-N 1 1 327.388 0.993 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cn3cccn3)on2)C(C)(C)C1 ZINC000977457843 745021086 /nfs/dbraw/zinc/02/10/86/745021086.db2.gz FRJJBGIHIYVBQT-OAHLLOKOSA-N 1 1 327.388 0.993 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087477780 745028082 /nfs/dbraw/zinc/02/80/82/745028082.db2.gz HZSUEPBRZVKLOD-JSGCOSHPSA-N 1 1 335.379 0.780 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087477780 745028088 /nfs/dbraw/zinc/02/80/88/745028088.db2.gz HZSUEPBRZVKLOD-JSGCOSHPSA-N 1 1 335.379 0.780 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)nc1 ZINC000999895608 745028820 /nfs/dbraw/zinc/02/88/20/745028820.db2.gz IZHPDJXDFXYLMJ-UHFFFAOYSA-N 1 1 340.427 0.735 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc3nc(C)nn32)C(C)(C)C1 ZINC000977464186 745049074 /nfs/dbraw/zinc/04/90/74/745049074.db2.gz FYVMDEGBTNTQQL-CQSZACIVSA-N 1 1 326.404 0.896 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc3nc(C)nn32)C(C)(C)C1 ZINC000977464186 745049081 /nfs/dbraw/zinc/04/90/81/745049081.db2.gz FYVMDEGBTNTQQL-CQSZACIVSA-N 1 1 326.404 0.896 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@@H]2CCC[N@H+]2C)nc1 ZINC000977486964 745079194 /nfs/dbraw/zinc/07/91/94/745079194.db2.gz JLJXOASRXRIFCT-WBVHZDCISA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3scnc3C)nn2)C1 ZINC000999955459 745095039 /nfs/dbraw/zinc/09/50/39/745095039.db2.gz KVTXKSZTGBPFEE-ZDUSSCGKSA-N 1 1 330.417 0.853 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC000999959465 745100671 /nfs/dbraw/zinc/10/06/71/745100671.db2.gz FXHBHQDKNKWVFF-AWEZNQCLSA-N 1 1 327.392 0.821 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)n[nH]3)nn2)C1 ZINC000999960099 745101414 /nfs/dbraw/zinc/10/14/14/745101414.db2.gz BPWVCSXWGLACCO-AWEZNQCLSA-N 1 1 327.392 0.510 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nccnc3N)nn2)C1 ZINC000999960708 745102869 /nfs/dbraw/zinc/10/28/69/745102869.db2.gz FJXQGMKBUZRGSY-ZDUSSCGKSA-N 1 1 342.407 0.403 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000977498710 745103145 /nfs/dbraw/zinc/10/31/45/745103145.db2.gz WQSUKKCPICVGHM-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 ZINC000999965949 745110909 /nfs/dbraw/zinc/11/09/09/745110909.db2.gz KEKQOPVIZMXNHB-OAHLLOKOSA-N 1 1 329.408 0.765 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)ncn3)nn2)C1 ZINC000999970725 745118498 /nfs/dbraw/zinc/11/84/98/745118498.db2.gz FMAZHHALHFPNON-AWEZNQCLSA-N 1 1 325.376 0.187 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3csnc3C)nn2)C1 ZINC000999975926 745124621 /nfs/dbraw/zinc/12/46/21/745124621.db2.gz SGRDHHAXMIILRT-ZDUSSCGKSA-N 1 1 330.417 0.853 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnnc(C)c3)nn2)C1 ZINC000999980990 745131980 /nfs/dbraw/zinc/13/19/80/745131980.db2.gz PTZUZWLFPYUUJO-MRXNPFEDSA-N 1 1 339.403 0.577 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC2(C)C)nc1 ZINC000977514532 745134837 /nfs/dbraw/zinc/13/48/37/745134837.db2.gz PYVVGYZUHSBUIL-HUUCEWRRSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)nc1 ZINC000977514532 745134839 /nfs/dbraw/zinc/13/48/39/745134839.db2.gz PYVVGYZUHSBUIL-HUUCEWRRSA-N 1 1 326.400 0.392 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)ccn3C)nn2)C1 ZINC000999984416 745136974 /nfs/dbraw/zinc/13/69/74/745136974.db2.gz MHMMFUGHMLIRLT-HNNXBMFYSA-N 1 1 326.404 0.735 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nn(C)cc3Cl)nn2)C1 ZINC000999985299 745138371 /nfs/dbraw/zinc/13/83/71/745138371.db2.gz AYTJMXZWCXJGEC-GFCCVEGCSA-N 1 1 347.810 0.475 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999987977 745143675 /nfs/dbraw/zinc/14/36/75/745143675.db2.gz RQUIBDDTCLTRSN-SJORKVTESA-N 1 1 342.447 0.116 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)nn2)C1 ZINC000999991323 745148494 /nfs/dbraw/zinc/14/84/94/745148494.db2.gz KZAJNDUMRLYVBJ-VNQPRFMTSA-N 1 1 348.451 0.046 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000977529240 745149469 /nfs/dbraw/zinc/14/94/69/745149469.db2.gz MESYFANXKGSIRZ-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnnn3CC)nn2)C1 ZINC000999992216 745150126 /nfs/dbraw/zinc/15/01/26/745150126.db2.gz QDHSTBYODFQHNU-ZDUSSCGKSA-N 1 1 330.396 0.252 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnnn3CC)nn2)C1 ZINC000999992215 745150387 /nfs/dbraw/zinc/15/03/87/745150387.db2.gz QDHSTBYODFQHNU-CYBMUJFWSA-N 1 1 330.396 0.252 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC000999995087 745153698 /nfs/dbraw/zinc/15/36/98/745153698.db2.gz CWAZUQCFGXIVTB-CVEARBPZSA-N 1 1 348.426 0.208 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CCF)C2)nn1 ZINC000999995087 745153699 /nfs/dbraw/zinc/15/36/99/745153699.db2.gz CWAZUQCFGXIVTB-CVEARBPZSA-N 1 1 348.426 0.208 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088569784 751977491 /nfs/dbraw/zinc/97/74/91/751977491.db2.gz LFZVZHQRHBQSAE-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088569784 751977495 /nfs/dbraw/zinc/97/74/95/751977495.db2.gz LFZVZHQRHBQSAE-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3csnn3)nn2)C1 ZINC001000003404 745168352 /nfs/dbraw/zinc/16/83/52/745168352.db2.gz YBOUVNJSTSWHOD-LBPRGKRZSA-N 1 1 333.421 0.883 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001000003947 745170160 /nfs/dbraw/zinc/17/01/60/745170160.db2.gz RNCBONQPSYQXPF-ZDUSSCGKSA-N 1 1 349.826 0.941 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001000003947 745170166 /nfs/dbraw/zinc/17/01/66/745170166.db2.gz RNCBONQPSYQXPF-ZDUSSCGKSA-N 1 1 349.826 0.941 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C)n3C)nn2)C1 ZINC001000008608 745176165 /nfs/dbraw/zinc/17/61/65/745176165.db2.gz JGWGAZVWOXEWRH-AWEZNQCLSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(=O)cn3)nn2)C1 ZINC001000016238 745186976 /nfs/dbraw/zinc/18/69/76/745186976.db2.gz RPQFVCZRKASGFE-ZDUSSCGKSA-N 1 1 343.391 0.114 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3conc3C)nn2)C1 ZINC001000018703 745188836 /nfs/dbraw/zinc/18/88/36/745188836.db2.gz ZJGIJBMCPWNIMZ-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ocnc3C3CC3)nn2)C1 ZINC001000020159 745191281 /nfs/dbraw/zinc/19/12/81/745191281.db2.gz JJUBOGODOFVPOE-CQSZACIVSA-N 1 1 340.387 0.954 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[C@H]3C(N)=O)nn2)C1 ZINC001000025070 745195882 /nfs/dbraw/zinc/19/58/82/745195882.db2.gz NUCQFJJQXNDRIV-KFWWJZLASA-N 1 1 346.435 0.229 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cn([C@H]3CC[N@@H+](CCF)C3)nn2)nn1 ZINC001000029093 745202873 /nfs/dbraw/zinc/20/28/73/745202873.db2.gz GBIJWWJDTSBFJG-ZDUSSCGKSA-N 1 1 348.386 0.202 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cn([C@H]3CC[N@H+](CCF)C3)nn2)nn1 ZINC001000029093 745202877 /nfs/dbraw/zinc/20/28/77/745202877.db2.gz GBIJWWJDTSBFJG-ZDUSSCGKSA-N 1 1 348.386 0.202 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(=O)[nH]c3)nn2)C1 ZINC001000035117 745210345 /nfs/dbraw/zinc/21/03/45/745210345.db2.gz MEGDJHRMZWLBLL-OAHLLOKOSA-N 1 1 340.387 0.579 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cncnc1 ZINC000977593346 745226515 /nfs/dbraw/zinc/22/65/15/745226515.db2.gz OOLRQOPNDORQIB-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cncnc1 ZINC000977593346 745226521 /nfs/dbraw/zinc/22/65/21/745226521.db2.gz OOLRQOPNDORQIB-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO COCC(=O)N1CCC([C@@H]2[N@@H+](CC(=O)NCC#N)CC23CCC3)CC1 ZINC001105384567 745253638 /nfs/dbraw/zinc/25/36/38/745253638.db2.gz JUKAECVYEPNZMV-KRWDZBQOSA-N 1 1 348.447 0.366 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)NC(=O)C3CCC3)C2)nn1 ZINC001105384964 745259574 /nfs/dbraw/zinc/25/95/74/745259574.db2.gz QWNUWEYAOKJMKU-LBPRGKRZSA-N 1 1 346.435 0.242 20 30 ECEDMO C=CCCn1cc(C(=O)NCCC[NH2+]Cc2nc(CC)no2)nn1 ZINC001167991320 745274204 /nfs/dbraw/zinc/27/42/04/745274204.db2.gz MOHODHMSKKGTSC-UHFFFAOYSA-N 1 1 333.396 0.709 20 30 ECEDMO C=CCCn1cc(C(=O)NCCC[NH2+]Cc2nc(N(C)C)no2)nn1 ZINC001167992262 745276541 /nfs/dbraw/zinc/27/65/41/745276541.db2.gz UYGQIVUPBVUTQB-UHFFFAOYSA-N 1 1 348.411 0.213 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3nnc(C)o3)C2)nn1 ZINC001020699845 751988253 /nfs/dbraw/zinc/98/82/53/751988253.db2.gz AZQROMFTTKGXPU-YUSALJHKSA-N 1 1 331.380 0.767 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001075780140 745317805 /nfs/dbraw/zinc/31/78/05/745317805.db2.gz DLSMERAIQDTBSG-HRCADAONSA-N 1 1 325.416 0.712 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1=O ZINC001075780406 745321702 /nfs/dbraw/zinc/32/17/02/745321702.db2.gz LICSQYXRHSNSAZ-GVDBMIGSSA-N 1 1 327.428 0.719 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001059248002 745401228 /nfs/dbraw/zinc/40/12/28/745401228.db2.gz YZNLVTWTLCYCKX-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001059248002 745401234 /nfs/dbraw/zinc/40/12/34/745401234.db2.gz YZNLVTWTLCYCKX-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027552343 745401962 /nfs/dbraw/zinc/40/19/62/745401962.db2.gz VMVLTRWRWJACLD-HOTGVXAUSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccncc4)[C@@H]3C2)C1=O ZINC000977734004 745430579 /nfs/dbraw/zinc/43/05/79/745430579.db2.gz UQZPGPLQJBDYAF-WCXIOVBPSA-N 1 1 340.427 0.776 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001000412904 745482416 /nfs/dbraw/zinc/48/24/16/745482416.db2.gz ZSGWAONSJRIBAM-YCPHGPKFSA-N 1 1 348.451 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3cnn(C)c3)CC2)C1=O ZINC001000424981 745489431 /nfs/dbraw/zinc/48/94/31/745489431.db2.gz HJVNUSDBRQAPFD-INIZCTEOSA-N 1 1 343.431 0.569 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000977807920 745527905 /nfs/dbraw/zinc/52/79/05/745527905.db2.gz CXHVNZPLNBIPJR-HZPDHXFCSA-N 1 1 333.432 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000977807920 745527910 /nfs/dbraw/zinc/52/79/10/745527910.db2.gz CXHVNZPLNBIPJR-HZPDHXFCSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCN2C(=O)c2ccn[nH]2)CC1 ZINC000977854887 745568974 /nfs/dbraw/zinc/56/89/74/745568974.db2.gz MVNSJYVCJZNYSW-HNNXBMFYSA-N 1 1 343.431 0.428 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001000600276 745626535 /nfs/dbraw/zinc/62/65/35/745626535.db2.gz SVKAYQNXIYRTHL-GFCCVEGCSA-N 1 1 341.415 0.915 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001000600276 745626539 /nfs/dbraw/zinc/62/65/39/745626539.db2.gz SVKAYQNXIYRTHL-GFCCVEGCSA-N 1 1 341.415 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ncccn1 ZINC000977916815 745643102 /nfs/dbraw/zinc/64/31/02/745643102.db2.gz GSNQNHDMLUAQJJ-GJZGRUSLSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ncccn1 ZINC000977916815 745643106 /nfs/dbraw/zinc/64/31/06/745643106.db2.gz GSNQNHDMLUAQJJ-GJZGRUSLSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CCOC1 ZINC000977921226 745650431 /nfs/dbraw/zinc/65/04/31/745650431.db2.gz QVYGUAHYNXWIOD-OAGGEKHMSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CCOC1 ZINC000977921226 745650435 /nfs/dbraw/zinc/65/04/35/745650435.db2.gz QVYGUAHYNXWIOD-OAGGEKHMSA-N 1 1 333.432 0.180 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCC2)nc1 ZINC001028268871 752018667 /nfs/dbraw/zinc/01/86/67/752018667.db2.gz BEFTXLDJZFHBDX-OAHLLOKOSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCC2)nc1 ZINC001028268871 752018672 /nfs/dbraw/zinc/01/86/72/752018672.db2.gz BEFTXLDJZFHBDX-OAHLLOKOSA-N 1 1 326.400 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1=CCOCC1 ZINC000977925039 745678627 /nfs/dbraw/zinc/67/86/27/745678627.db2.gz GOQIEXOOOJKDCR-IRXDYDNUSA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1=CCOCC1 ZINC000977925039 745678630 /nfs/dbraw/zinc/67/86/30/745678630.db2.gz GOQIEXOOOJKDCR-IRXDYDNUSA-N 1 1 345.443 0.490 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000977948944 745702220 /nfs/dbraw/zinc/70/22/20/745702220.db2.gz VZPVACRRBTULRK-QLFBSQMISA-N 1 1 337.464 0.977 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000977948944 745702222 /nfs/dbraw/zinc/70/22/22/745702222.db2.gz VZPVACRRBTULRK-QLFBSQMISA-N 1 1 337.464 0.977 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC000977951821 745706628 /nfs/dbraw/zinc/70/66/28/745706628.db2.gz MDKNHIPTVXFJBO-RYUDHWBXSA-N 1 1 333.392 0.569 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC001000702653 745709406 /nfs/dbraw/zinc/70/94/06/745709406.db2.gz VZPZOZBFADDBJX-ZACQAIPSSA-N 1 1 347.459 0.947 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)c1 ZINC000977961150 745720875 /nfs/dbraw/zinc/72/08/75/745720875.db2.gz CFTPGAPWJKLTBJ-ZSOGYDGISA-N 1 1 327.388 0.073 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)N3CCCC3=O)C2)nn1 ZINC001105360884 752032091 /nfs/dbraw/zinc/03/20/91/752032091.db2.gz LLGFRUZJERLEKF-ZDUSSCGKSA-N 1 1 346.435 0.338 20 30 ECEDMO Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)o1 ZINC000978022790 745787974 /nfs/dbraw/zinc/78/79/74/745787974.db2.gz QGEHLGQFEMDXBA-XYYAHUGASA-N 1 1 326.360 0.686 20 30 ECEDMO Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)o1 ZINC000978022790 745787977 /nfs/dbraw/zinc/78/79/77/745787977.db2.gz QGEHLGQFEMDXBA-XYYAHUGASA-N 1 1 326.360 0.686 20 30 ECEDMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)nn1 ZINC000978025121 745790355 /nfs/dbraw/zinc/79/03/55/745790355.db2.gz WKNHVTGMPHAECC-ZSOGYDGISA-N 1 1 325.376 0.123 20 30 ECEDMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)nn1 ZINC000978025121 745790358 /nfs/dbraw/zinc/79/03/58/745790358.db2.gz WKNHVTGMPHAECC-ZSOGYDGISA-N 1 1 325.376 0.123 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001000861426 745835332 /nfs/dbraw/zinc/83/53/32/745835332.db2.gz ZWKQSQPUSBWHAL-AWEZNQCLSA-N 1 1 331.420 0.871 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978059849 745840392 /nfs/dbraw/zinc/84/03/92/745840392.db2.gz KHVXSMSCJWKTPZ-QZKOUSHUSA-N 1 1 329.404 0.271 20 30 ECEDMO Cn1nncc1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC000978085544 745872080 /nfs/dbraw/zinc/87/20/80/745872080.db2.gz UXPARGRRWUDSKF-PHZGNYQRSA-N 1 1 336.399 0.795 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087548565 745961803 /nfs/dbraw/zinc/96/18/03/745961803.db2.gz BYJGODLGXGWQRQ-LSDHHAIUSA-N 1 1 329.404 0.748 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087548565 745961806 /nfs/dbraw/zinc/96/18/06/745961806.db2.gz BYJGODLGXGWQRQ-LSDHHAIUSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000978147365 745980025 /nfs/dbraw/zinc/98/00/25/745980025.db2.gz MRSYNAAXXFDKCZ-BBWFWOEESA-N 1 1 346.475 0.238 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)O1 ZINC000984183483 746003133 /nfs/dbraw/zinc/00/31/33/746003133.db2.gz HMQWOKNYQBNCGN-HYVNUMGLSA-N 1 1 347.459 0.568 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)O1 ZINC000984183483 746003138 /nfs/dbraw/zinc/00/31/38/746003138.db2.gz HMQWOKNYQBNCGN-HYVNUMGLSA-N 1 1 347.459 0.568 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028071 752053469 /nfs/dbraw/zinc/05/34/69/752053469.db2.gz HEPMPFVUUFFILG-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028071 752053475 /nfs/dbraw/zinc/05/34/75/752053475.db2.gz HEPMPFVUUFFILG-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncn(C)n3)[C@H]2CC)C1=O ZINC001087563587 746042775 /nfs/dbraw/zinc/04/27/75/746042775.db2.gz DYZIETRJCCJYAD-BFHYXJOUSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncn(C)n3)[C@H]2CC)C1=O ZINC001087563587 746042781 /nfs/dbraw/zinc/04/27/81/746042781.db2.gz DYZIETRJCCJYAD-BFHYXJOUSA-N 1 1 346.435 0.185 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000984225686 746085825 /nfs/dbraw/zinc/08/58/25/746085825.db2.gz RIGFFPCHFFFRIW-GJZGRUSLSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000984229192 746090014 /nfs/dbraw/zinc/09/00/14/746090014.db2.gz XEFQLZPHGYLAPH-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c4c(nn3C)CCC4)C2)nn1 ZINC001105360980 752060929 /nfs/dbraw/zinc/06/09/29/752060929.db2.gz MBVIPBGTFXYEEX-UHFFFAOYSA-N 1 1 341.419 0.473 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCN(CC)C2=O)CC1 ZINC001001171570 746134278 /nfs/dbraw/zinc/13/42/78/746134278.db2.gz PNGJZZOLYVHROV-IKGGRYGDSA-N 1 1 347.459 0.947 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001059349780 746157169 /nfs/dbraw/zinc/15/71/69/746157169.db2.gz MCLDTKHBXWKEBL-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001001208144 746161788 /nfs/dbraw/zinc/16/17/88/746161788.db2.gz RDLHOEMYTGJLOQ-INIZCTEOSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)nn1 ZINC001027607244 746166400 /nfs/dbraw/zinc/16/64/00/746166400.db2.gz UIIABCGEOFYJQT-CQSZACIVSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)nn1 ZINC001027607244 746166403 /nfs/dbraw/zinc/16/64/03/746166403.db2.gz UIIABCGEOFYJQT-CQSZACIVSA-N 1 1 346.435 0.233 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1CC ZINC001087678942 746177405 /nfs/dbraw/zinc/17/74/05/746177405.db2.gz NIKIMEKWESSDFR-LSDHHAIUSA-N 1 1 341.415 0.488 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@@H+]([C@H]3CCNC3=O)CC2)nn1 ZINC001001244068 746202429 /nfs/dbraw/zinc/20/24/29/746202429.db2.gz CUQURLIYNMRXAV-HNNXBMFYSA-N 1 1 344.419 0.105 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@H+]([C@H]3CCNC3=O)CC2)nn1 ZINC001001244068 746202436 /nfs/dbraw/zinc/20/24/36/746202436.db2.gz CUQURLIYNMRXAV-HNNXBMFYSA-N 1 1 344.419 0.105 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001001254970 746213539 /nfs/dbraw/zinc/21/35/39/746213539.db2.gz TZXUWWVNBCHPJZ-AWEZNQCLSA-N 1 1 327.450 0.345 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087707589 746217370 /nfs/dbraw/zinc/21/73/70/746217370.db2.gz AXIDSZWXWANXPJ-YESZJQIVSA-N 1 1 340.427 0.689 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4ccc(OC)nn43)[C@@H]2C1 ZINC000978358980 746240465 /nfs/dbraw/zinc/24/04/65/746240465.db2.gz JFWQXYPPRNMVSF-ZSOGYDGISA-N 1 1 339.399 0.669 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000978367342 746248332 /nfs/dbraw/zinc/24/83/32/746248332.db2.gz XMXMBBOYYKRCFM-CNDDSTCGSA-N 1 1 325.390 0.021 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3OCC(N)=O)[C@@H]2C1 ZINC000978422755 746323004 /nfs/dbraw/zinc/32/30/04/746323004.db2.gz IMTTWRJNPYDOFX-PHZGNYQRSA-N 1 1 341.411 0.482 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1CC ZINC001087795734 746351831 /nfs/dbraw/zinc/35/18/31/746351831.db2.gz UTAWVQRFVNTFQE-WCQYABFASA-N 1 1 328.376 0.024 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ncccn3)C2)C1=O ZINC001027625733 746351996 /nfs/dbraw/zinc/35/19/96/746351996.db2.gz SBGLRZHPUNGOOW-GJZGRUSLSA-N 1 1 343.431 0.800 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 ZINC000978529950 746409822 /nfs/dbraw/zinc/40/98/22/746409822.db2.gz YMFVUJGAZHBQFT-QKDCVEJESA-N 1 1 339.403 0.541 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001027634821 746411931 /nfs/dbraw/zinc/41/19/31/746411931.db2.gz PCLJCJGYEKITTM-GJZGRUSLSA-N 1 1 331.420 0.484 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001481755 746420636 /nfs/dbraw/zinc/42/06/36/746420636.db2.gz DTUQQKRLZBVSHX-BXUZGUMPSA-N 1 1 329.404 0.272 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2csnc2C)C1 ZINC001001498526 746434869 /nfs/dbraw/zinc/43/48/69/746434869.db2.gz NWWCKKCJGIOAEX-HNNXBMFYSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2csnc2C)C1 ZINC001001498526 746434874 /nfs/dbraw/zinc/43/48/74/746434874.db2.gz NWWCKKCJGIOAEX-HNNXBMFYSA-N 1 1 346.456 0.737 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)cc1 ZINC000978583999 746471062 /nfs/dbraw/zinc/47/10/62/746471062.db2.gz QQRBOUDRZYRGCZ-NNZMDNLPSA-N 1 1 337.423 0.854 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)CCC)C2)C1=O ZINC001087853655 746506599 /nfs/dbraw/zinc/50/65/99/746506599.db2.gz BAAPPJMINPIKEY-HZPDHXFCSA-N 1 1 337.464 0.859 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059381997 746509840 /nfs/dbraw/zinc/50/98/40/746509840.db2.gz FRMFYNFGFFAUSY-YDHLFZDLSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059381997 746509845 /nfs/dbraw/zinc/50/98/45/746509845.db2.gz FRMFYNFGFFAUSY-YDHLFZDLSA-N 1 1 344.419 0.517 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN(CC(F)F)C3)[C@@H]2C1 ZINC000978637203 746528656 /nfs/dbraw/zinc/52/86/56/746528656.db2.gz FGKRMRJASZTBOE-ZQDZILKHSA-N 1 1 325.403 0.891 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978697976 746593707 /nfs/dbraw/zinc/59/37/07/746593707.db2.gz PPBJOFPUXJRAKO-NFAWXSAZSA-N 1 1 343.431 0.995 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@H]32)c1 ZINC000978698600 746594302 /nfs/dbraw/zinc/59/43/02/746594302.db2.gz MAAODEYDRWPJSH-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@H]32)c1 ZINC000978698600 746594307 /nfs/dbraw/zinc/59/43/07/746594307.db2.gz MAAODEYDRWPJSH-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CCNC(=O)C#CC(C)(C)C)C2)C1 ZINC001059396916 746622444 /nfs/dbraw/zinc/62/24/44/746622444.db2.gz IBXDDRRSDJSCRU-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CCNC(=O)C#CC(C)(C)C)C2)C1 ZINC001059396916 746622447 /nfs/dbraw/zinc/62/24/47/746622447.db2.gz IBXDDRRSDJSCRU-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000978716538 746630457 /nfs/dbraw/zinc/63/04/57/746630457.db2.gz KJHIOVUZMMNACW-SUJAAXHWSA-N 1 1 333.432 0.104 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cocn4)C[C@@H]3C2)C1=O ZINC001087908913 746632100 /nfs/dbraw/zinc/63/21/00/746632100.db2.gz RFLRFCNFWWZNEW-IJEWVQPXSA-N 1 1 344.415 0.855 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC000978731717 746644113 /nfs/dbraw/zinc/64/41/13/746644113.db2.gz BRXGODHCMWDWKH-TUVASFSCSA-N 1 1 330.436 0.496 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001087911370 746646549 /nfs/dbraw/zinc/64/65/49/746646549.db2.gz SNRAKRUGEYGCJF-IMJJTQAJSA-N 1 1 328.416 0.825 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)c[nH]c3CC(N)=O)[C@@H]2C1 ZINC000978743115 746669981 /nfs/dbraw/zinc/66/99/81/746669981.db2.gz GAEREIIEVUMRKP-ZSOGYDGISA-N 1 1 328.416 0.282 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3ncn(C)c3=O)C[C@@]2(C)C1 ZINC000982401677 752112583 /nfs/dbraw/zinc/11/25/83/752112583.db2.gz LKQNVSHAILCKGM-HDICACEKSA-N 1 1 345.447 0.166 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccnnc4)[C@@H]3C2)C1=O ZINC000978766159 746684344 /nfs/dbraw/zinc/68/43/44/746684344.db2.gz NYNAGIXDXYBNPI-LVQVYYBASA-N 1 1 341.415 0.171 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000984596262 746706173 /nfs/dbraw/zinc/70/61/73/746706173.db2.gz XPSFRCPRLBDHHA-OLZOCXBDSA-N 1 1 347.419 0.959 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)cc1 ZINC000978800662 746720042 /nfs/dbraw/zinc/72/00/42/746720042.db2.gz AIVMYMREAMHOSP-OSYLJGHBSA-N 1 1 341.411 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2n[nH]cc2C)C1 ZINC001001784429 746721193 /nfs/dbraw/zinc/72/11/93/746721193.db2.gz GFSOTURKCJTAMQ-AWEZNQCLSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2n[nH]cc2C)C1 ZINC001001784429 746721198 /nfs/dbraw/zinc/72/11/98/746721198.db2.gz GFSOTURKCJTAMQ-AWEZNQCLSA-N 1 1 329.404 0.004 20 30 ECEDMO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001001813957 746741704 /nfs/dbraw/zinc/74/17/04/746741704.db2.gz ZGRFCHVQQIIUMX-APIJFGDWSA-N 1 1 335.448 0.777 20 30 ECEDMO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001001813957 746741708 /nfs/dbraw/zinc/74/17/08/746741708.db2.gz ZGRFCHVQQIIUMX-APIJFGDWSA-N 1 1 335.448 0.777 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1=O ZINC001087962041 746747175 /nfs/dbraw/zinc/74/71/75/746747175.db2.gz VJCKCTWJWQXVMK-FGTMMUONSA-N 1 1 341.455 0.967 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)nn1 ZINC000978821103 746749155 /nfs/dbraw/zinc/74/91/55/746749155.db2.gz VCCZAABSPGMJHB-TUVASFSCSA-N 1 1 331.420 0.408 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)CC[C@@H]2C1 ZINC001087962477 746750385 /nfs/dbraw/zinc/75/03/85/746750385.db2.gz SOOMZQRHOVGAGY-SJORKVTESA-N 1 1 345.443 0.039 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nccn4C)C[C@H]32)nn1 ZINC000978822417 746750616 /nfs/dbraw/zinc/75/06/16/746750616.db2.gz XXBVCQAAAAWSPH-ZSOGYDGISA-N 1 1 341.419 0.305 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nccn4C)C[C@H]32)nn1 ZINC000978822417 746750620 /nfs/dbraw/zinc/75/06/20/746750620.db2.gz XXBVCQAAAAWSPH-ZSOGYDGISA-N 1 1 341.419 0.305 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccnn3C3CCOCC3)[C@@H]2C1 ZINC000978830212 746759133 /nfs/dbraw/zinc/75/91/33/746759133.db2.gz KWGBQOKYZRBPKX-PHZGNYQRSA-N 1 1 328.416 0.775 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001898592 746793076 /nfs/dbraw/zinc/79/30/76/746793076.db2.gz RGFDYVPYBNPLPZ-NSHDSACASA-N 1 1 328.800 0.165 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000978867959 746818727 /nfs/dbraw/zinc/81/87/27/746818727.db2.gz XHPFAODTUYHHHM-UUAJXVIYSA-N 1 1 349.475 0.930 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@@H]2C1 ZINC001087985471 746878945 /nfs/dbraw/zinc/87/89/45/746878945.db2.gz QWTMSPVBZJGTIO-IKGGRYGDSA-N 1 1 347.459 0.285 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]nc3-c3cnn(C)c3)[C@@H]2C1 ZINC000978941713 746922714 /nfs/dbraw/zinc/92/27/14/746922714.db2.gz DHNXILWWAVYVCJ-XMQYKBBCSA-N 1 1 326.404 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC[NH+](CCS(C)(=O)=O)CC2)nc1 ZINC001002056958 746935052 /nfs/dbraw/zinc/93/50/52/746935052.db2.gz FILOCKNBCOBBQS-UHFFFAOYSA-N 1 1 349.456 0.549 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC000978948893 746938783 /nfs/dbraw/zinc/93/87/83/746938783.db2.gz YGZLGWHMUAOUQO-SYQHCUMBSA-N 1 1 344.415 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC000978951947 746944154 /nfs/dbraw/zinc/94/41/54/746944154.db2.gz DVFVEJBTAHCZTP-IMJJTQAJSA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC000978951947 746944157 /nfs/dbraw/zinc/94/41/57/746944157.db2.gz DVFVEJBTAHCZTP-IMJJTQAJSA-N 1 1 328.416 0.737 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3nonc3C)C2)C1=O ZINC001027705374 746950606 /nfs/dbraw/zinc/95/06/06/746950606.db2.gz QTZCNQYARIQQNJ-KGLIPLIRSA-N 1 1 347.419 0.701 20 30 ECEDMO N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992057 746951267 /nfs/dbraw/zinc/95/12/67/746951267.db2.gz BDCKQEXKVNFEGE-SOLBZPMBSA-N 1 1 346.475 0.934 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001002139071 747019124 /nfs/dbraw/zinc/01/91/24/747019124.db2.gz QVPADAXTHVHWOI-OAHLLOKOSA-N 1 1 343.855 0.814 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001002144948 747024356 /nfs/dbraw/zinc/02/43/56/747024356.db2.gz KCXNSRYXQVKLEA-UHFFFAOYSA-N 1 1 348.491 0.248 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2csnn2)C1 ZINC000979058803 747102534 /nfs/dbraw/zinc/10/25/34/747102534.db2.gz RMEUBHKKLKUQJY-SCRDCRAPSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2csnn2)C1 ZINC000979058803 747102540 /nfs/dbraw/zinc/10/25/40/747102540.db2.gz RMEUBHKKLKUQJY-SCRDCRAPSA-N 1 1 347.444 0.260 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002245642 747121782 /nfs/dbraw/zinc/12/17/82/747121782.db2.gz GJKPHXSRSZKOHQ-SIXLDLHFSA-N 1 1 349.475 0.882 20 30 ECEDMO COCCCCC[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 ZINC001211888820 747127055 /nfs/dbraw/zinc/12/70/55/747127055.db2.gz QCYUORBFRRNSAA-ZIAGYGMSSA-N 1 1 329.466 0.875 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059463163 747143245 /nfs/dbraw/zinc/14/32/45/747143245.db2.gz SAFVNLQAPWXREX-RBSFLKMASA-N 1 1 342.447 0.950 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](OC)c3cnn(C)c3)C[C@@H]2C1 ZINC001088053690 747162680 /nfs/dbraw/zinc/16/26/80/747162680.db2.gz VBPMDCIYRDYDDP-PVAVHDDUSA-N 1 1 330.432 0.911 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@@H]2C1 ZINC001088082912 747289148 /nfs/dbraw/zinc/28/91/48/747289148.db2.gz QVYVYIGHQJHUNY-OAGGEKHMSA-N 1 1 341.459 0.724 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001002404611 747303326 /nfs/dbraw/zinc/30/33/26/747303326.db2.gz IHQRWAYFFDDFBS-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)NC)CC[C@@H]3C2)c1 ZINC001088100106 747386444 /nfs/dbraw/zinc/38/64/44/747386444.db2.gz UKUHSLFZFODYDM-UNEWFSDZSA-N 1 1 340.427 0.591 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088113154 747412166 /nfs/dbraw/zinc/41/21/66/747412166.db2.gz QLOVBMLGCQAVGG-TWMKSMIVSA-N 1 1 345.447 0.650 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@@H]2C1 ZINC001088114435 747419420 /nfs/dbraw/zinc/41/94/20/747419420.db2.gz NHJCSLYNHSOOIP-OAGGEKHMSA-N 1 1 344.463 0.982 20 30 ECEDMO O=C(C#CC1CC1)N1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001002511508 747449191 /nfs/dbraw/zinc/44/91/91/747449191.db2.gz AIEVTCMCTCMNHB-OAHLLOKOSA-N 1 1 326.400 0.749 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H](C)OC)CC[C@@H]3C2)nn1 ZINC001088133164 747460124 /nfs/dbraw/zinc/46/01/24/747460124.db2.gz UNMSZBLZXBSSFR-ZNMIVQPWSA-N 1 1 333.436 0.893 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@@H]2C1 ZINC001088137551 747473799 /nfs/dbraw/zinc/47/37/99/747473799.db2.gz SJYAHQSZZLRHKA-IJEWVQPXSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@@H]2C1 ZINC001088137551 747473800 /nfs/dbraw/zinc/47/38/00/747473800.db2.gz SJYAHQSZZLRHKA-IJEWVQPXSA-N 1 1 326.462 0.920 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000979279765 747504946 /nfs/dbraw/zinc/50/49/46/747504946.db2.gz WUPQNPWKMVVCTK-UAGQMJEPSA-N 1 1 340.427 0.782 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2C#N)C1 ZINC001059498579 747531967 /nfs/dbraw/zinc/53/19/67/747531967.db2.gz KYZUIUDXARXZRG-FFHGMXDLSA-N 1 1 340.431 0.916 20 30 ECEDMO C[C@@H]([NH2+]Cc1ccon1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979295165 747558133 /nfs/dbraw/zinc/55/81/33/747558133.db2.gz QVJZODIVPFJLAA-ABAIWWIYSA-N 1 1 329.360 0.894 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)nn1 ZINC001105342383 747568912 /nfs/dbraw/zinc/56/89/12/747568912.db2.gz AGJSTCNXDSYEGH-WBVHZDCISA-N 1 1 342.447 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)C3=COCCO3)CC2)C1=O ZINC000985236086 747579522 /nfs/dbraw/zinc/57/95/22/747579522.db2.gz NPFJHWXNSUUBPK-OAHLLOKOSA-N 1 1 349.431 0.584 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]2C1 ZINC001088168988 747582855 /nfs/dbraw/zinc/58/28/55/747582855.db2.gz BUIZVIHPLSXLGP-MNOVXSKESA-N 1 1 334.376 0.476 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)COc3cccnc3)C2)nn1 ZINC001105342787 747589530 /nfs/dbraw/zinc/58/95/30/747589530.db2.gz WMMASINIJUYPQL-UHFFFAOYSA-N 1 1 342.403 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cnco1 ZINC001002640422 747603846 /nfs/dbraw/zinc/60/38/46/747603846.db2.gz OFXKSZSLSRUMMA-CABCVRRESA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cnco1 ZINC001002640422 747603850 /nfs/dbraw/zinc/60/38/50/747603850.db2.gz OFXKSZSLSRUMMA-CABCVRRESA-N 1 1 344.415 0.835 20 30 ECEDMO Cc1ccnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979325399 747616203 /nfs/dbraw/zinc/61/62/03/747616203.db2.gz BLOVLGKUUKFWTK-HOCLYGCPSA-N 1 1 328.416 0.904 20 30 ECEDMO CCn1c(C)nnc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979332030 747655435 /nfs/dbraw/zinc/65/54/35/747655435.db2.gz KVIAFOCZYLZFAX-CJNGLKHVSA-N 1 1 345.447 0.725 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC001088190796 747702106 /nfs/dbraw/zinc/70/21/06/747702106.db2.gz SJFPKULNWZWQGL-KGLIPLIRSA-N 1 1 346.431 0.120 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]Cc3cnn(C)n3)C2)C1 ZINC000979375882 747702827 /nfs/dbraw/zinc/70/28/27/747702827.db2.gz ITOJIEDPNISWKO-UKRRQHHQSA-N 1 1 333.436 0.877 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@H](C)O)CC[C@@H]3C2)CC1 ZINC001088212043 747745579 /nfs/dbraw/zinc/74/55/79/747745579.db2.gz LXCLOAYZMPMTDC-JQHSSLGASA-N 1 1 333.476 0.493 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@H](C)O)CC[C@@H]3C2)CC1 ZINC001088212043 747745582 /nfs/dbraw/zinc/74/55/82/747745582.db2.gz LXCLOAYZMPMTDC-JQHSSLGASA-N 1 1 333.476 0.493 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@H](C)O)CC[C@@H]3C2)CC1 ZINC001088212043 747745585 /nfs/dbraw/zinc/74/55/85/747745585.db2.gz LXCLOAYZMPMTDC-JQHSSLGASA-N 1 1 333.476 0.493 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]2C1 ZINC001088218555 747760564 /nfs/dbraw/zinc/76/05/64/747760564.db2.gz WYRLZSVZTPXMTA-CABCVRRESA-N 1 1 326.400 0.598 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CCn3cncn3)CC2)C1 ZINC001088228155 747776321 /nfs/dbraw/zinc/77/63/21/747776321.db2.gz JLBRRGKSRREOTB-QGZVFWFLSA-N 1 1 345.447 0.631 20 30 ECEDMO CNC(=O)C[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001088230581 747783553 /nfs/dbraw/zinc/78/35/53/747783553.db2.gz UHTXGMQJMULSAO-HIFRSBDPSA-N 1 1 336.436 0.222 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001088230581 747783559 /nfs/dbraw/zinc/78/35/59/747783559.db2.gz UHTXGMQJMULSAO-HIFRSBDPSA-N 1 1 336.436 0.222 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 ZINC001088231574 747790827 /nfs/dbraw/zinc/79/08/27/747790827.db2.gz VHQKRKDLMYZQQG-MSOLQXFVSA-N 1 1 349.475 0.280 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3nnc(C)[nH]3)CC2)C1 ZINC001088233746 747797610 /nfs/dbraw/zinc/79/76/10/747797610.db2.gz YPQFCYUIGACSBD-MRXNPFEDSA-N 1 1 345.447 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001088233890 747800536 /nfs/dbraw/zinc/80/05/36/747800536.db2.gz CIGMQOOWHLWBAL-MRXNPFEDSA-N 1 1 346.435 0.026 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001088235165 747815557 /nfs/dbraw/zinc/81/55/57/747815557.db2.gz LPOMAORUEHTVOL-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001088235297 747815614 /nfs/dbraw/zinc/81/56/14/747815614.db2.gz OABOCSYAHWPHER-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001002826151 747838792 /nfs/dbraw/zinc/83/87/92/747838792.db2.gz LJQXFIXYGPWJKW-IKGGRYGDSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001002826151 747838795 /nfs/dbraw/zinc/83/87/95/747838795.db2.gz LJQXFIXYGPWJKW-IKGGRYGDSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001002830484 747848072 /nfs/dbraw/zinc/84/80/72/747848072.db2.gz UDHABSPNEHMQFR-HNNXBMFYSA-N 1 1 342.399 0.073 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001002830484 747848081 /nfs/dbraw/zinc/84/80/81/747848081.db2.gz UDHABSPNEHMQFR-HNNXBMFYSA-N 1 1 342.399 0.073 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2cnc(C)o2)C1 ZINC001002836153 747858661 /nfs/dbraw/zinc/85/86/61/747858661.db2.gz RCNGIFZUMWOJHQ-INIZCTEOSA-N 1 1 344.415 0.198 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2cnc(C)o2)C1 ZINC001002836153 747858671 /nfs/dbraw/zinc/85/86/71/747858671.db2.gz RCNGIFZUMWOJHQ-INIZCTEOSA-N 1 1 344.415 0.198 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c(C)ncn2C)C1 ZINC001002836250 747858955 /nfs/dbraw/zinc/85/89/55/747858955.db2.gz SSHWWPGSUCFLFE-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c(C)ncn2C)C1 ZINC001002836250 747858964 /nfs/dbraw/zinc/85/89/64/747858964.db2.gz SSHWWPGSUCFLFE-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001088238898 747871792 /nfs/dbraw/zinc/87/17/92/747871792.db2.gz GZJVIBUQDLHONK-OAHLLOKOSA-N 1 1 331.420 0.391 20 30 ECEDMO C[N@@H+](C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)[C@H]1CCCNC1=O ZINC000985388262 747875616 /nfs/dbraw/zinc/87/56/16/747875616.db2.gz KHHUZSSVMISDFK-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cnnn3C)CC2)C1=O ZINC000985407699 747924354 /nfs/dbraw/zinc/92/43/54/747924354.db2.gz KWBLIXVKHOJXBT-AWEZNQCLSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001088239669 747931131 /nfs/dbraw/zinc/93/11/31/747931131.db2.gz CQGRRQMQACXZMA-INIZCTEOSA-N 1 1 333.436 0.794 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001002963568 748015970 /nfs/dbraw/zinc/01/59/70/748015970.db2.gz RERCRPBNZZJDKL-UHFFFAOYSA-N 1 1 335.857 0.355 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3ccon3)C2)C1=O ZINC001029682710 748046497 /nfs/dbraw/zinc/04/64/97/748046497.db2.gz YTGSMOOGZGNZMZ-ZBFHGGJFSA-N 1 1 346.431 0.784 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979567935 748056935 /nfs/dbraw/zinc/05/69/35/748056935.db2.gz RRSJLHCZGAHESZ-UXIGCNINSA-N 1 1 329.404 0.605 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000262526385 748121684 /nfs/dbraw/zinc/12/16/84/748121684.db2.gz LEZSFRMWVOWHTR-KRWDZBQOSA-N 1 1 348.470 0.508 20 30 ECEDMO CN1CCN(C)[C@@H](CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000262526385 748121688 /nfs/dbraw/zinc/12/16/88/748121688.db2.gz LEZSFRMWVOWHTR-KRWDZBQOSA-N 1 1 348.470 0.508 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3nnc(C)o3)C2)C1=O ZINC001007270038 752241796 /nfs/dbraw/zinc/24/17/96/752241796.db2.gz XEMKVDXCNZVKAU-KGLIPLIRSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3nnc(C)o3)C2)C1=O ZINC001007270038 752241799 /nfs/dbraw/zinc/24/17/99/752241799.db2.gz XEMKVDXCNZVKAU-KGLIPLIRSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cncnc3)C2)C1=O ZINC001029714276 748128957 /nfs/dbraw/zinc/12/89/57/748128957.db2.gz ZZHHSNRYXAPBNJ-ZBFHGGJFSA-N 1 1 343.431 0.657 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001029725380 748162594 /nfs/dbraw/zinc/16/25/94/748162594.db2.gz ZICDPFJAGYGZKH-HOTGVXAUSA-N 1 1 342.399 0.947 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979659331 748174531 /nfs/dbraw/zinc/17/45/31/748174531.db2.gz XSSRGFLJLDMMFU-GBOPCIDUSA-N 1 1 343.431 0.709 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cnnn2C)CC1 ZINC000985476179 748218271 /nfs/dbraw/zinc/21/82/71/748218271.db2.gz ONNAKJQVBXACSO-KRWDZBQOSA-N 1 1 344.463 0.336 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001027828333 748227961 /nfs/dbraw/zinc/22/79/61/748227961.db2.gz JKDDLPLYXUGXIP-MOPGFXCFSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001027828333 748227971 /nfs/dbraw/zinc/22/79/71/748227971.db2.gz JKDDLPLYXUGXIP-MOPGFXCFSA-N 1 1 341.455 0.949 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC001003157551 748241745 /nfs/dbraw/zinc/24/17/45/748241745.db2.gz AYBPWHWTCCEIMJ-IRXDYDNUSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC001003157551 748241750 /nfs/dbraw/zinc/24/17/50/748241750.db2.gz AYBPWHWTCCEIMJ-IRXDYDNUSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4nncn4c3)C2)nn1 ZINC001105344356 748322471 /nfs/dbraw/zinc/32/24/71/748322471.db2.gz ZJLWDRVYGOCOOL-UHFFFAOYSA-N 1 1 338.375 0.294 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3csnn3)C2)C1=O ZINC001029795201 748446695 /nfs/dbraw/zinc/44/66/95/748446695.db2.gz PPDUIPDMLBJRCI-GXTWGEPZSA-N 1 1 349.460 0.719 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 ZINC000979830668 748486731 /nfs/dbraw/zinc/48/67/31/748486731.db2.gz SYUSBZJMIPBJCX-YESZJQIVSA-N 1 1 340.427 0.958 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccccc3C#N)C2)n1 ZINC001029806579 748504374 /nfs/dbraw/zinc/50/43/74/748504374.db2.gz NMVIXIDUJOLISS-ZDUSSCGKSA-N 1 1 339.403 0.676 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001029811427 748535388 /nfs/dbraw/zinc/53/53/88/748535388.db2.gz FEYULGSCHNQHMO-ZOFXXKQRSA-N 1 1 347.459 0.446 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058815130 748537342 /nfs/dbraw/zinc/53/73/42/748537342.db2.gz NFSAJSGHKJPKEB-UHFFFAOYSA-N 1 1 325.453 0.315 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001003471441 748589131 /nfs/dbraw/zinc/58/91/31/748589131.db2.gz IRVHFFNCQQHRKF-CQSZACIVSA-N 1 1 340.427 0.593 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC001003472102 748589450 /nfs/dbraw/zinc/58/94/50/748589450.db2.gz VHJKZQWJHMVGKX-CZUORRHYSA-N 1 1 340.427 0.591 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@H](CCNc2ccnc(C#N)n2)C1 ZINC001111613158 748736752 /nfs/dbraw/zinc/73/67/52/748736752.db2.gz SRHPOZISJYMYNH-AWEZNQCLSA-N 1 1 330.436 0.762 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 ZINC000979980294 748757554 /nfs/dbraw/zinc/75/75/54/748757554.db2.gz MHJHCKQQFDYTRC-ARFHVFGLSA-N 1 1 334.464 0.163 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000979967450 748759678 /nfs/dbraw/zinc/75/96/78/748759678.db2.gz LOKZPUCXSYESLB-NOLJZWGESA-N 1 1 346.406 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000979967450 748759700 /nfs/dbraw/zinc/75/97/00/748759700.db2.gz LOKZPUCXSYESLB-NOLJZWGESA-N 1 1 346.406 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000979969173 748763137 /nfs/dbraw/zinc/76/31/37/748763137.db2.gz XTKXNXASXXGWJZ-IHRRRGAJSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000979969173 748763142 /nfs/dbraw/zinc/76/31/42/748763142.db2.gz XTKXNXASXXGWJZ-IHRRRGAJSA-N 1 1 329.404 0.132 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)[C@H]1COC(=O)N1 ZINC001027860759 748816197 /nfs/dbraw/zinc/81/61/97/748816197.db2.gz KXADXBHTXOIURN-JKSUJKDBSA-N 1 1 345.374 0.866 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)[C@H]1COC(=O)N1 ZINC001027860759 748816201 /nfs/dbraw/zinc/81/62/01/748816201.db2.gz KXADXBHTXOIURN-JKSUJKDBSA-N 1 1 345.374 0.866 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985666453 748839054 /nfs/dbraw/zinc/83/90/54/748839054.db2.gz JQWJGFQGVODRDX-OAGGEKHMSA-N 1 1 335.448 0.779 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059624606 748878169 /nfs/dbraw/zinc/87/81/69/748878169.db2.gz SXHHMERRFUFYCE-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059624606 748878171 /nfs/dbraw/zinc/87/81/71/748878171.db2.gz SXHHMERRFUFYCE-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)[C@@H]3CCCNC3=O)CC2)nn1 ZINC000985694256 748882773 /nfs/dbraw/zinc/88/27/73/748882773.db2.gz DEKFUUUARBHHNS-OAHLLOKOSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000985696409 748887273 /nfs/dbraw/zinc/88/72/73/748887273.db2.gz JEKYTARLNJWJPX-AWEZNQCLSA-N 1 1 329.466 0.519 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)C2(S(C)(=O)=O)CCCC2)CC1 ZINC000985699779 748890914 /nfs/dbraw/zinc/89/09/14/748890914.db2.gz UANHHCPEJMKLQK-UHFFFAOYSA-N 1 1 326.462 0.900 20 30 ECEDMO C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001003810284 748923589 /nfs/dbraw/zinc/92/35/89/748923589.db2.gz SGKUKMPJNBUFJV-MDHDOXDCSA-N 1 1 345.403 0.758 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985742243 748990087 /nfs/dbraw/zinc/99/00/87/748990087.db2.gz FJNWCVJGSVCBDC-UHFFFAOYSA-N 1 1 332.404 0.668 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(N)=O)cn3C)C[C@@H]2C1 ZINC000980143968 749060403 /nfs/dbraw/zinc/06/04/03/749060403.db2.gz QVPWAIKABMRVLI-GZBFAFLISA-N 1 1 328.416 0.588 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)c1 ZINC000980149170 749070829 /nfs/dbraw/zinc/07/08/29/749070829.db2.gz OBYYGLPVXJFERY-HYVNUMGLSA-N 1 1 340.427 0.639 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@H]3C2)cc1 ZINC000980166692 749101254 /nfs/dbraw/zinc/10/12/54/749101254.db2.gz QGJSKTSLECRNGO-JYJNAYRXSA-N 1 1 326.400 0.760 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)cn3)C[C@H]2C1 ZINC000980168825 749104676 /nfs/dbraw/zinc/10/46/76/749104676.db2.gz SRMTXDSPSVGSBQ-KKUMJFAQSA-N 1 1 328.416 0.634 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cc2cnc[nH]2)C1 ZINC001059648492 749108620 /nfs/dbraw/zinc/10/86/20/749108620.db2.gz UAWFPZVLUJTZGR-UONOGXRCSA-N 1 1 332.404 0.345 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 ZINC000980194425 749128970 /nfs/dbraw/zinc/12/89/70/749128970.db2.gz QRXBWMAVBXPCMW-ZNMIVQPWSA-N 1 1 348.447 0.721 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001004003892 749132202 /nfs/dbraw/zinc/13/22/02/749132202.db2.gz OCBPPOVAVPKDIK-ZDUSSCGKSA-N 1 1 344.415 0.422 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC000980184740 749133700 /nfs/dbraw/zinc/13/37/00/749133700.db2.gz QOVNSQXPMDFXKP-AEGPPILISA-N 1 1 331.416 0.279 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCn1cncn1 ZINC001027888258 749142619 /nfs/dbraw/zinc/14/26/19/749142619.db2.gz KIFLGIFPLGWOFP-OAGGEKHMSA-N 1 1 333.436 0.840 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C(F)F)CC2)CC1 ZINC000985824611 749177404 /nfs/dbraw/zinc/17/74/04/749177404.db2.gz IMLJDTVROMXRRJ-UHFFFAOYSA-N 1 1 328.363 0.157 20 30 ECEDMO CC(C)=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)CC1 ZINC000985825876 749183565 /nfs/dbraw/zinc/18/35/65/749183565.db2.gz RYDPDGGSSBWWRZ-MRXNPFEDSA-N 1 1 347.463 0.994 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccnc4nc(C)nn43)C[C@H]2C1 ZINC000980207436 749185841 /nfs/dbraw/zinc/18/58/41/749185841.db2.gz JOZCRDMOZCGWEO-KKUMJFAQSA-N 1 1 338.415 0.896 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]2C1 ZINC000980201955 749194282 /nfs/dbraw/zinc/19/42/82/749194282.db2.gz BWUYLSJZJRHBQT-CFVMTHIKSA-N 1 1 328.416 0.967 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC000980235565 749218665 /nfs/dbraw/zinc/21/86/65/749218665.db2.gz BHYHWNCHGBXVIJ-IHRRRGAJSA-N 1 1 341.415 0.429 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ncccn3)C2)C1=O ZINC001029872882 749248478 /nfs/dbraw/zinc/24/84/78/749248478.db2.gz WNWDTFBJJRYQSI-LSDHHAIUSA-N 1 1 343.431 0.657 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 ZINC000980249716 749254885 /nfs/dbraw/zinc/25/48/85/749254885.db2.gz YLVOTRQOWIDCMY-ZNMIVQPWSA-N 1 1 346.431 0.120 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC000980258808 749266045 /nfs/dbraw/zinc/26/60/45/749266045.db2.gz ZVTHWYCQKGQXPQ-MELADBBJSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC000980258805 749266208 /nfs/dbraw/zinc/26/62/08/749266208.db2.gz ZVTHWYCQKGQXPQ-IHRRRGAJSA-N 1 1 344.415 0.340 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CCNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001059674752 749342999 /nfs/dbraw/zinc/34/29/99/749342999.db2.gz UAVGEUVJIJFOFY-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059674934 749345438 /nfs/dbraw/zinc/34/54/38/749345438.db2.gz XDHLGXAROXWIPN-HOTGVXAUSA-N 1 1 335.448 0.333 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cn(C)nn3)C2)nc1 ZINC001029891850 749465657 /nfs/dbraw/zinc/46/56/57/749465657.db2.gz LTBPTKGXGCVKIL-HNNXBMFYSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cn(C)nn3)C2)nc1 ZINC001029891850 749465661 /nfs/dbraw/zinc/46/56/61/749465661.db2.gz LTBPTKGXGCVKIL-HNNXBMFYSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCCNC3=O)C2)cn1 ZINC001029892050 749466604 /nfs/dbraw/zinc/46/66/04/749466604.db2.gz NZBXSSCABUUPCE-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC(N)=O)CC2)c1 ZINC001004544535 749607560 /nfs/dbraw/zinc/60/75/60/749607560.db2.gz UJLDBWVUTDXFMT-QGZVFWFLSA-N 1 1 340.427 0.865 20 30 ECEDMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000980510503 749658348 /nfs/dbraw/zinc/65/83/48/749658348.db2.gz YWONRDFVWPCABC-QWRGUYRKSA-N 1 1 328.380 0.050 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001027950349 749782878 /nfs/dbraw/zinc/78/28/78/749782878.db2.gz CDUFVFOLQXZRDI-ZIAGYGMSSA-N 1 1 345.403 0.163 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC000986404384 749863521 /nfs/dbraw/zinc/86/35/21/749863521.db2.gz ZXJHBPKTLFLLCY-CFVMTHIKSA-N 1 1 329.404 0.658 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C[NH2+]Cc3nnn(C)n3)C[C@H]2C)cc1 ZINC000980669331 749937620 /nfs/dbraw/zinc/93/76/20/749937620.db2.gz VJLHIQJCYTUIOQ-HIFRSBDPSA-N 1 1 338.415 0.832 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)[C@@H]3CCOC3)CC2)C1=O ZINC001029943611 750018200 /nfs/dbraw/zinc/01/82/00/750018200.db2.gz NXLFYPJPPOZPAT-SJORKVTESA-N 1 1 349.475 0.980 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2nc(N(C)C)no2)CC1 ZINC001029946291 750025290 /nfs/dbraw/zinc/02/52/90/750025290.db2.gz KPOTVFHRAGSAAM-GFCCVEGCSA-N 1 1 334.424 0.966 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(C[N@@H+](C)Cc2nc(N(C)C)no2)CC1 ZINC001029946291 750025299 /nfs/dbraw/zinc/02/52/99/750025299.db2.gz KPOTVFHRAGSAAM-GFCCVEGCSA-N 1 1 334.424 0.966 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cn3cccn3)CC2)C1=O ZINC000980709556 750027336 /nfs/dbraw/zinc/02/73/36/750027336.db2.gz ILMGGNICIZDIDK-OAHLLOKOSA-N 1 1 331.420 0.204 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cn3cccn3)CC2)C1=O ZINC000980709556 750027339 /nfs/dbraw/zinc/02/73/39/750027339.db2.gz ILMGGNICIZDIDK-OAHLLOKOSA-N 1 1 331.420 0.204 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058847035 750109249 /nfs/dbraw/zinc/10/92/49/750109249.db2.gz LJJDPFDANYINSK-OAHLLOKOSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058846693 750115817 /nfs/dbraw/zinc/11/58/17/750115817.db2.gz COCIBMKTDNNDHQ-CVEARBPZSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3c[nH]c(C)n3)CC2)C1=O ZINC000980843033 750251062 /nfs/dbraw/zinc/25/10/62/750251062.db2.gz RCSWXLGKHQUWKM-OAHLLOKOSA-N 1 1 331.420 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3c[nH]c(C)n3)CC2)C1=O ZINC000980843033 750251065 /nfs/dbraw/zinc/25/10/65/750251065.db2.gz RCSWXLGKHQUWKM-OAHLLOKOSA-N 1 1 331.420 0.653 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)Cn2ncn(C)c2=O)CC1 ZINC001005629395 750458368 /nfs/dbraw/zinc/45/83/68/750458368.db2.gz QNQLKHZWAZYQRS-UHFFFAOYSA-N 1 1 327.816 0.257 20 30 ECEDMO CN(CCN(C)c1cccc(F)c1C#N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001105355713 750526496 /nfs/dbraw/zinc/52/64/96/750526496.db2.gz YGSHHOJHKATMDP-INIZCTEOSA-N 1 1 334.395 0.923 20 30 ECEDMO CN(CCN(C)c1cccc(F)c1C#N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001105355713 750526497 /nfs/dbraw/zinc/52/64/97/750526497.db2.gz YGSHHOJHKATMDP-INIZCTEOSA-N 1 1 334.395 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnn(CC)n2)CC1 ZINC000981361384 750624489 /nfs/dbraw/zinc/62/44/89/750624489.db2.gz JFRQNWUVEIDVKQ-KRWDZBQOSA-N 1 1 344.463 0.430 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cnn(CC)n2)CC1 ZINC000981361384 750624492 /nfs/dbraw/zinc/62/44/92/750624492.db2.gz JFRQNWUVEIDVKQ-KRWDZBQOSA-N 1 1 344.463 0.430 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)C2=COCCC2)C1 ZINC001005788069 750637582 /nfs/dbraw/zinc/63/75/82/750637582.db2.gz VOGYGUHQWFJKSB-YOEHRIQHSA-N 1 1 345.443 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)C2=COCCC2)C1 ZINC001005788069 750637585 /nfs/dbraw/zinc/63/75/85/750637585.db2.gz VOGYGUHQWFJKSB-YOEHRIQHSA-N 1 1 345.443 0.741 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1=O ZINC000981396310 750659980 /nfs/dbraw/zinc/65/99/80/750659980.db2.gz OLVMEUSDZQYICC-CYBMUJFWSA-N 1 1 347.419 0.359 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1=O ZINC000981396310 750659984 /nfs/dbraw/zinc/65/99/84/750659984.db2.gz OLVMEUSDZQYICC-CYBMUJFWSA-N 1 1 347.419 0.359 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1=O ZINC000981397430 750661864 /nfs/dbraw/zinc/66/18/64/750661864.db2.gz CJJFHNCCENZGRT-CQSZACIVSA-N 1 1 345.403 0.117 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1=O ZINC000981397430 750661866 /nfs/dbraw/zinc/66/18/66/750661866.db2.gz CJJFHNCCENZGRT-CQSZACIVSA-N 1 1 345.403 0.117 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001005871352 750748733 /nfs/dbraw/zinc/74/87/33/750748733.db2.gz RAKVYJNQQZJRSL-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001005940086 750823131 /nfs/dbraw/zinc/82/31/31/750823131.db2.gz QSTUAPYIIFEAEX-NEPJUHHUSA-N 1 1 329.404 0.415 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001005947946 750833545 /nfs/dbraw/zinc/83/35/45/750833545.db2.gz SSADRBSVBXZWMG-QWHCGFSZSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CCn3cccn3)[C@@H]2C)CC1 ZINC000987573249 750975332 /nfs/dbraw/zinc/97/53/32/750975332.db2.gz ZIUCMNLKQRGCRK-WMZOPIPTSA-N 1 1 343.475 0.807 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001006068121 750986306 /nfs/dbraw/zinc/98/63/06/750986306.db2.gz NVOLCWCJOUWZJP-NSHDSACASA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@]34CCOC4)C2)nn1 ZINC001105357957 751077456 /nfs/dbraw/zinc/07/74/56/751077456.db2.gz PGFKXPSXTAEJCN-WBVHZDCISA-N 1 1 331.420 0.754 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC000981758592 751081133 /nfs/dbraw/zinc/08/11/33/751081133.db2.gz WEYZLFZKAHSKKU-CQSZACIVSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cccc(OCC(N)=O)c3)C2)C1 ZINC000981801166 751116746 /nfs/dbraw/zinc/11/67/46/751116746.db2.gz OIZYMLUIKDONAR-UHFFFAOYSA-N 1 1 341.411 0.722 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CC4CC4)c3)C2)nn1 ZINC001105358321 751190820 /nfs/dbraw/zinc/19/08/20/751190820.db2.gz WFQTYSGLXLUAOL-UHFFFAOYSA-N 1 1 341.419 0.857 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC000981859900 751205859 /nfs/dbraw/zinc/20/58/59/751205859.db2.gz UCOAAYMOPQLYFX-UHFFFAOYSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccccn2)C1 ZINC001006312310 751230373 /nfs/dbraw/zinc/23/03/73/751230373.db2.gz DFKFAPRPPWNDAU-PBHICJAKSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccccn2)C1 ZINC001006312310 751230375 /nfs/dbraw/zinc/23/03/75/751230375.db2.gz DFKFAPRPPWNDAU-PBHICJAKSA-N 1 1 340.427 0.756 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1=O ZINC000981879624 751230521 /nfs/dbraw/zinc/23/05/21/751230521.db2.gz ICMWJWFJZBRKDM-CQSZACIVSA-N 1 1 347.419 0.061 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1=O ZINC000981879624 751230525 /nfs/dbraw/zinc/23/05/25/751230525.db2.gz ICMWJWFJZBRKDM-CQSZACIVSA-N 1 1 347.419 0.061 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccn(C)n2)C1 ZINC001006312944 751231955 /nfs/dbraw/zinc/23/19/55/751231955.db2.gz CQIJPBBAJNXEMJ-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccn(C)n2)C1 ZINC001006312944 751231958 /nfs/dbraw/zinc/23/19/58/751231958.db2.gz CQIJPBBAJNXEMJ-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C2(CF)CC2)C1 ZINC001006316689 751238144 /nfs/dbraw/zinc/23/81/44/751238144.db2.gz UXTGSEYXICRKNB-HIFRSBDPSA-N 1 1 335.423 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C2(CF)CC2)C1 ZINC001006316689 751238150 /nfs/dbraw/zinc/23/81/50/751238150.db2.gz UXTGSEYXICRKNB-HIFRSBDPSA-N 1 1 335.423 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cncn2C)C1 ZINC001006317185 751238947 /nfs/dbraw/zinc/23/89/47/751238947.db2.gz XUCWNKVDMPGCER-ZFWWWQNUSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cncn2C)C1 ZINC001006317185 751238951 /nfs/dbraw/zinc/23/89/51/751238951.db2.gz XUCWNKVDMPGCER-ZFWWWQNUSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccco2)C1 ZINC001006318970 751240836 /nfs/dbraw/zinc/24/08/36/751240836.db2.gz KIITUHLNHUHMPD-HIFRSBDPSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccco2)C1 ZINC001006318970 751240839 /nfs/dbraw/zinc/24/08/39/751240839.db2.gz KIITUHLNHUHMPD-HIFRSBDPSA-N 1 1 329.400 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1=COCCC1 ZINC001075893587 751258880 /nfs/dbraw/zinc/25/88/80/751258880.db2.gz HXIIXHGYVLPBEJ-HOCLYGCPSA-N 1 1 333.432 0.789 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1=COCCC1 ZINC001075893587 751258886 /nfs/dbraw/zinc/25/88/86/751258886.db2.gz HXIIXHGYVLPBEJ-HOCLYGCPSA-N 1 1 333.432 0.789 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000981935820 751294662 /nfs/dbraw/zinc/29/46/62/751294662.db2.gz UEQDJIBDZWCXED-LBPRGKRZSA-N 1 1 326.828 0.687 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000981935820 751294666 /nfs/dbraw/zinc/29/46/66/751294666.db2.gz UEQDJIBDZWCXED-LBPRGKRZSA-N 1 1 326.828 0.687 20 30 ECEDMO C#CCCCC(=O)NCC[NH2+]Cc1nn2c(nc(C)cc2=O)s1 ZINC001126355454 752383593 /nfs/dbraw/zinc/38/35/93/752383593.db2.gz ADMKZIISRGVPPA-UHFFFAOYSA-N 1 1 333.417 0.469 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001212022126 752412050 /nfs/dbraw/zinc/41/20/50/752412050.db2.gz BIGVOXNIBKPUNT-ZIAGYGMSSA-N 1 1 326.441 0.476 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001212022126 752412055 /nfs/dbraw/zinc/41/20/55/752412055.db2.gz BIGVOXNIBKPUNT-ZIAGYGMSSA-N 1 1 326.441 0.476 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001212022326 752413968 /nfs/dbraw/zinc/41/39/68/752413968.db2.gz LUKIMEDCZJDLRG-ARFHVFGLSA-N 1 1 326.437 0.964 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1OC ZINC001212024113 752417771 /nfs/dbraw/zinc/41/77/71/752417771.db2.gz JZFBHOOYEQBPOY-BZUAXINKSA-N 1 1 326.437 0.964 20 30 ECEDMO COCCN(CCNC(=O)C[N@@H+](C)C(C)C)c1ccncc1C#N ZINC001126361196 752442384 /nfs/dbraw/zinc/44/23/84/752442384.db2.gz VYIXZQDDZZEQAI-UHFFFAOYSA-N 1 1 333.436 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ncc(C)cn2)C1 ZINC001007519232 752475446 /nfs/dbraw/zinc/47/54/46/752475446.db2.gz MMIQFCARUIIHGJ-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ncc(C)cn2)C1 ZINC001007519232 752475452 /nfs/dbraw/zinc/47/54/52/752475452.db2.gz MMIQFCARUIIHGJ-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937838677 752569428 /nfs/dbraw/zinc/56/94/28/752569428.db2.gz FLEDPLRYRFHDOX-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937838677 752569432 /nfs/dbraw/zinc/56/94/32/752569432.db2.gz FLEDPLRYRFHDOX-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937839155 752570808 /nfs/dbraw/zinc/57/08/08/752570808.db2.gz QCGYXNSPYDZHCC-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC001126366280 752580704 /nfs/dbraw/zinc/58/07/04/752580704.db2.gz UCIIJGHUZVSRBU-CYBMUJFWSA-N 1 1 334.342 0.978 20 30 ECEDMO C=C(C)CNCc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644635 752583343 /nfs/dbraw/zinc/58/33/43/752583343.db2.gz CPIYQHXKNXKFME-JKSUJKDBSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cccn3C)C2)C1=O ZINC001028413338 752586585 /nfs/dbraw/zinc/58/65/85/752586585.db2.gz AZAKUSQWKJNMDO-GDBMZVCRSA-N 1 1 330.432 0.864 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3COCCO3)C2)cc1 ZINC001028421754 752595307 /nfs/dbraw/zinc/59/53/07/752595307.db2.gz VIVMELDAYQKMSJ-IRXDYDNUSA-N 1 1 329.400 0.912 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001028429239 752635267 /nfs/dbraw/zinc/63/52/67/752635267.db2.gz JRWGBHVLKRUGDQ-UKRRQHHQSA-N 1 1 331.420 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCOC2)[C@@H]1C ZINC000988737503 752636331 /nfs/dbraw/zinc/63/63/31/752636331.db2.gz ACCXBFKFQUPXLY-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCOC2)[C@@H]1C ZINC000988737503 752636334 /nfs/dbraw/zinc/63/63/34/752636334.db2.gz ACCXBFKFQUPXLY-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(C)(F)F)[C@@H]1C ZINC000988738393 752640995 /nfs/dbraw/zinc/64/09/95/752640995.db2.gz MQNJYVNBHRAMSE-AGIUHOORSA-N 1 1 327.375 0.845 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(C)(F)F)[C@@H]1C ZINC000988738393 752640996 /nfs/dbraw/zinc/64/09/96/752640996.db2.gz MQNJYVNBHRAMSE-AGIUHOORSA-N 1 1 327.375 0.845 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cccn2)[C@@H]1C ZINC000988739103 752641799 /nfs/dbraw/zinc/64/17/99/752641799.db2.gz TYJCVCKFFFDBDK-PMPSAXMXSA-N 1 1 343.431 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cccn2)[C@@H]1C ZINC000988739103 752641802 /nfs/dbraw/zinc/64/18/02/752641802.db2.gz TYJCVCKFFFDBDK-PMPSAXMXSA-N 1 1 343.431 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1C ZINC000988738743 752642085 /nfs/dbraw/zinc/64/20/85/752642085.db2.gz SLUAWLJNDHSKRJ-RDBSUJKOSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1C ZINC000988738743 752642091 /nfs/dbraw/zinc/64/20/91/752642091.db2.gz SLUAWLJNDHSKRJ-RDBSUJKOSA-N 1 1 329.404 0.227 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)C3=COCCC3)C2)C1=O ZINC001028445456 752673426 /nfs/dbraw/zinc/67/34/26/752673426.db2.gz QIKQEORXNSHNLP-ZBFHGGJFSA-N 1 1 333.432 0.906 20 30 ECEDMO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCC(=O)N1 ZINC001028448680 752685011 /nfs/dbraw/zinc/68/50/11/752685011.db2.gz LWNTWODMHFURLQ-DLBZAZTESA-N 1 1 325.412 0.755 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@]2(C)C1 ZINC000982552992 752879093 /nfs/dbraw/zinc/87/90/93/752879093.db2.gz GIXCBFYDOKWCBL-QGWWYQLQSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)C3=CCOCC3)C2)C1=O ZINC001028497588 752891719 /nfs/dbraw/zinc/89/17/19/752891719.db2.gz AIUOPNSDTPNWKF-ZBFHGGJFSA-N 1 1 333.432 0.558 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001007778036 752924014 /nfs/dbraw/zinc/92/40/14/752924014.db2.gz VKBPCZCZKODFJW-NSHDSACASA-N 1 1 327.406 0.697 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001211814027 752938136 /nfs/dbraw/zinc/93/81/36/752938136.db2.gz QGJBIIQQRIQBDT-JCURWCKSSA-N 1 1 344.415 0.398 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001211814027 752938145 /nfs/dbraw/zinc/93/81/45/752938145.db2.gz QGJBIIQQRIQBDT-JCURWCKSSA-N 1 1 344.415 0.398 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)CN1C(=O)C#CC1CC1 ZINC000988828757 752942214 /nfs/dbraw/zinc/94/22/14/752942214.db2.gz XXMWDCNTGDIGAQ-TZMCWYRMSA-N 1 1 329.404 0.301 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cnnc(C)c3)C2)C1=O ZINC001028507039 752963488 /nfs/dbraw/zinc/96/34/88/752963488.db2.gz NXEIFNSLWBOSDW-GDBMZVCRSA-N 1 1 343.431 0.624 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028518521 753013846 /nfs/dbraw/zinc/01/38/46/753013846.db2.gz CSNXTSPFPIUUMM-NXEZZACHSA-N 1 1 332.198 0.442 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028518521 753013853 /nfs/dbraw/zinc/01/38/53/753013853.db2.gz CSNXTSPFPIUUMM-NXEZZACHSA-N 1 1 332.198 0.442 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2cn[nH]c2)C(C)(C)C1 ZINC001007920697 753072677 /nfs/dbraw/zinc/07/26/77/753072677.db2.gz RINAUCDEBYLMGW-GJZGRUSLSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2cn[nH]c2)C(C)(C)C1 ZINC001007920697 753072682 /nfs/dbraw/zinc/07/26/82/753072682.db2.gz RINAUCDEBYLMGW-GJZGRUSLSA-N 1 1 343.431 0.474 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCCN(CCOC)c1nc(C)cc(C#N)n1 ZINC001126380429 753113191 /nfs/dbraw/zinc/11/31/91/753113191.db2.gz NFACOWVZTUMJHY-UHFFFAOYSA-N 1 1 348.451 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC000982645039 753201827 /nfs/dbraw/zinc/20/18/27/753201827.db2.gz OTDNKDNKOCQIRY-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC000982645039 753201831 /nfs/dbraw/zinc/20/18/31/753201831.db2.gz OTDNKDNKOCQIRY-HOCLYGCPSA-N 1 1 343.431 0.096 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000982648533 753210262 /nfs/dbraw/zinc/21/02/62/753210262.db2.gz OHMJOCXMHZFDJO-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CCN3CCOCC3)C[C@@]2(C)C1 ZINC000982651398 753220504 /nfs/dbraw/zinc/22/05/04/753220504.db2.gz LJGOZSKANLDBFO-KDURUIRLSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001008065274 753262825 /nfs/dbraw/zinc/26/28/25/753262825.db2.gz ZMWCLUHDURCBQR-ZIAGYGMSSA-N 1 1 329.391 0.556 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1 ZINC001008076397 753280193 /nfs/dbraw/zinc/28/01/93/753280193.db2.gz OMQFADLVIZUXDR-DOMZBBRYSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC(OC)C2)C1 ZINC000938122148 753345478 /nfs/dbraw/zinc/34/54/78/753345478.db2.gz BCBFYAIKBNMBOW-GRAKBVBRSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC(OC)C2)C1 ZINC000938122148 753345483 /nfs/dbraw/zinc/34/54/83/753345483.db2.gz BCBFYAIKBNMBOW-GRAKBVBRSA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC001051495172 762207713 /nfs/dbraw/zinc/20/77/13/762207713.db2.gz RMSFHKNKCUSGNQ-STQMWFEESA-N 1 1 334.424 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC000982706703 753360242 /nfs/dbraw/zinc/36/02/42/753360242.db2.gz XDSXTPGNTMKGHE-HOTGVXAUSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC000982706703 753360246 /nfs/dbraw/zinc/36/02/46/753360246.db2.gz XDSXTPGNTMKGHE-HOTGVXAUSA-N 1 1 342.443 0.999 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C3CC3)s2)C1 ZINC001051495784 762209659 /nfs/dbraw/zinc/20/96/59/762209659.db2.gz YFGVUXYPZCLNDA-PWSUYJOCSA-N 1 1 335.433 0.892 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982712531 753383500 /nfs/dbraw/zinc/38/35/00/753383500.db2.gz FDHSOVUHTMSRJE-HDICACEKSA-N 1 1 346.431 0.122 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CN3CCCCCC3=O)C2)nn1 ZINC001105370955 753393277 /nfs/dbraw/zinc/39/32/77/753393277.db2.gz CBDIWMKNJADNHG-UHFFFAOYSA-N 1 1 346.435 0.340 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC001008168208 753406402 /nfs/dbraw/zinc/40/64/02/753406402.db2.gz PRTBAKRZCAQSNN-OAHLLOKOSA-N 1 1 328.416 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nccc(C)n2)[C@@H]1C ZINC001088630990 753443293 /nfs/dbraw/zinc/44/32/93/753443293.db2.gz LQSKBCGIZCLJST-IKGGRYGDSA-N 1 1 341.459 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nccc(C)n2)[C@@H]1C ZINC001088630990 753443295 /nfs/dbraw/zinc/44/32/95/753443295.db2.gz LQSKBCGIZCLJST-IKGGRYGDSA-N 1 1 341.459 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000982740614 753451289 /nfs/dbraw/zinc/45/12/89/753451289.db2.gz YHARDXPIJJWCOS-IRXDYDNUSA-N 1 1 327.428 0.462 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000982740614 753451294 /nfs/dbraw/zinc/45/12/94/753451294.db2.gz YHARDXPIJJWCOS-IRXDYDNUSA-N 1 1 327.428 0.462 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)c1 ZINC001083339979 753610295 /nfs/dbraw/zinc/61/02/95/753610295.db2.gz LGVZCZQTZWBTMF-CVEARBPZSA-N 1 1 325.372 0.116 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)c1 ZINC001083339979 753610297 /nfs/dbraw/zinc/61/02/97/753610297.db2.gz LGVZCZQTZWBTMF-CVEARBPZSA-N 1 1 325.372 0.116 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(C)nc3)C2)nn1 ZINC001105372636 753674372 /nfs/dbraw/zinc/67/43/72/753674372.db2.gz QOTLRKMQZCCJAE-UHFFFAOYSA-N 1 1 326.404 0.883 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083368817 753704801 /nfs/dbraw/zinc/70/48/01/753704801.db2.gz XQHNDVYOWPHBLU-IKGGRYGDSA-N 1 1 328.416 0.314 20 30 ECEDMO C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)C1=NC(=O)N(C)C1)CCO2 ZINC001105480870 753708159 /nfs/dbraw/zinc/70/81/59/753708159.db2.gz LZGXJBWWMVHOAA-UHFFFAOYSA-N 1 1 346.431 0.892 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001059972250 753736382 /nfs/dbraw/zinc/73/63/82/753736382.db2.gz KTFALHHKLYQWJF-IRXDYDNUSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685302 753764669 /nfs/dbraw/zinc/76/46/69/753764669.db2.gz FCXZCVNQNKGVAN-CVEARBPZSA-N 1 1 330.436 0.259 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001008465294 753768487 /nfs/dbraw/zinc/76/84/87/753768487.db2.gz QJJGZROQRICLJF-HOTGVXAUSA-N 1 1 349.475 0.907 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001008468918 753772333 /nfs/dbraw/zinc/77/23/33/753772333.db2.gz OKZBTYJRSIQFJN-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001008468918 753772337 /nfs/dbraw/zinc/77/23/37/753772337.db2.gz OKZBTYJRSIQFJN-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)c1 ZINC001083392598 753794691 /nfs/dbraw/zinc/79/46/91/753794691.db2.gz QEDUBENSGUULKO-ZACQAIPSSA-N 1 1 340.383 0.395 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)c1 ZINC001083392598 753794693 /nfs/dbraw/zinc/79/46/93/753794693.db2.gz QEDUBENSGUULKO-ZACQAIPSSA-N 1 1 340.383 0.395 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ncccc2C#N)C1 ZINC001105532346 753801299 /nfs/dbraw/zinc/80/12/99/753801299.db2.gz WSAJIHVKSKYFDE-MRXNPFEDSA-N 1 1 345.447 0.957 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982819397 753849850 /nfs/dbraw/zinc/84/98/50/753849850.db2.gz DNQOHKWLMXUSQT-OIISXLGYSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ncc(C)cn2)C1 ZINC001028601422 753881571 /nfs/dbraw/zinc/88/15/71/753881571.db2.gz OACYMZXNPIHNRO-SJORKVTESA-N 1 1 341.459 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ncc(C)cn2)C1 ZINC001028601422 753881586 /nfs/dbraw/zinc/88/15/86/753881586.db2.gz OACYMZXNPIHNRO-SJORKVTESA-N 1 1 341.459 0.821 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001028611637 753919564 /nfs/dbraw/zinc/91/95/64/753919564.db2.gz GGRKCFGFDCEVIA-GXTWGEPZSA-N 1 1 345.403 0.021 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001008573329 753925970 /nfs/dbraw/zinc/92/59/70/753925970.db2.gz AHYYYLBQAUNSJO-ZNMIVQPWSA-N 1 1 336.436 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccc(C#N)nc1 ZINC001105599084 753970273 /nfs/dbraw/zinc/97/02/73/753970273.db2.gz GPPPLFLYMSMWQT-KRWDZBQOSA-N 1 1 325.416 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccc(C#N)nc1 ZINC001105599084 753970279 /nfs/dbraw/zinc/97/02/79/753970279.db2.gz GPPPLFLYMSMWQT-KRWDZBQOSA-N 1 1 325.416 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccc(C#N)cn1 ZINC001105599365 753970802 /nfs/dbraw/zinc/97/08/02/753970802.db2.gz WNOAPMJOSOPLEX-INIZCTEOSA-N 1 1 325.416 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccc(C#N)cn1 ZINC001105599365 753970808 /nfs/dbraw/zinc/97/08/08/753970808.db2.gz WNOAPMJOSOPLEX-INIZCTEOSA-N 1 1 325.416 0.945 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCN(CC)C3=O)CC2)cn1 ZINC000989512534 754062993 /nfs/dbraw/zinc/06/29/93/754062993.db2.gz NLPNUNJSDUWMDX-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCN(CC)C3=O)CC2)cn1 ZINC000989512534 754062998 /nfs/dbraw/zinc/06/29/98/754062998.db2.gz NLPNUNJSDUWMDX-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C[C@@H]2C)nn1 ZINC000989544771 754093731 /nfs/dbraw/zinc/09/37/31/754093731.db2.gz XFIFEFKJWLJFJL-RYUDHWBXSA-N 1 1 331.380 0.630 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028639421 754138083 /nfs/dbraw/zinc/13/80/83/754138083.db2.gz XIIBMXOAYBNHPU-NSHDSACASA-N 1 1 327.406 0.555 20 30 ECEDMO Cc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC001051524200 762275256 /nfs/dbraw/zinc/27/52/56/762275256.db2.gz RUENRISLXOYBSG-CQSZACIVSA-N 1 1 340.387 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccoc2)C1 ZINC000982921229 754201046 /nfs/dbraw/zinc/20/10/46/754201046.db2.gz HLEKLMKPIZFCTE-HOCLYGCPSA-N 1 1 329.400 0.956 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccoc2)C1 ZINC000982921229 754201055 /nfs/dbraw/zinc/20/10/55/754201055.db2.gz HLEKLMKPIZFCTE-HOCLYGCPSA-N 1 1 329.400 0.956 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cccnn2)C1 ZINC000982922637 754204429 /nfs/dbraw/zinc/20/44/29/754204429.db2.gz MPYCZOYZAYASPC-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cccnn2)C1 ZINC000982922637 754204433 /nfs/dbraw/zinc/20/44/33/754204433.db2.gz MPYCZOYZAYASPC-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3csnn3)C2)C1=O ZINC001028720072 754833889 /nfs/dbraw/zinc/83/38/89/754833889.db2.gz PLDAKJLYZCONIK-WCQYABFASA-N 1 1 335.433 0.377 20 30 ECEDMO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)c[nH]1 ZINC000990287656 754924670 /nfs/dbraw/zinc/92/46/70/754924670.db2.gz IXEFPQKRNMOZJQ-WBVHZDCISA-N 1 1 339.403 0.905 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990289209 754926897 /nfs/dbraw/zinc/92/68/97/754926897.db2.gz OJBJOWRWMCUQKK-PZSREKOKSA-N 1 1 329.404 0.748 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990290445 754928689 /nfs/dbraw/zinc/92/86/89/754928689.db2.gz WTGCEKHEMIXEBL-KEYYUXOJSA-N 1 1 329.404 0.877 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001028744279 754950674 /nfs/dbraw/zinc/95/06/74/754950674.db2.gz JXSMLGIUECGANH-NSHDSACASA-N 1 1 343.366 0.473 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001028744279 754950679 /nfs/dbraw/zinc/95/06/79/754950679.db2.gz JXSMLGIUECGANH-NSHDSACASA-N 1 1 343.366 0.473 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccn(C)n3)C2)C1=O ZINC001009537575 754987045 /nfs/dbraw/zinc/98/70/45/754987045.db2.gz NRSNMMZTDYPRKL-ZFWWWQNUSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccn(C)n3)C2)C1=O ZINC001009537575 754987051 /nfs/dbraw/zinc/98/70/51/754987051.db2.gz NRSNMMZTDYPRKL-ZFWWWQNUSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cncn3C)[C@H]2C)C1=O ZINC001088711488 755086751 /nfs/dbraw/zinc/08/67/51/755086751.db2.gz KZJKYCJLGLIFPN-HZSPNIEDSA-N 1 1 331.420 0.400 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cncn3C)[C@H]2C)C1=O ZINC001088711488 755086759 /nfs/dbraw/zinc/08/67/59/755086759.db2.gz KZJKYCJLGLIFPN-HZSPNIEDSA-N 1 1 331.420 0.400 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)c1 ZINC001028792890 755141970 /nfs/dbraw/zinc/14/19/70/755141970.db2.gz OTFZWJKLUTXSHI-AWEZNQCLSA-N 1 1 335.429 0.159 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](CCS(C)(=O)=O)C2)c1 ZINC001028792890 755141971 /nfs/dbraw/zinc/14/19/71/755141971.db2.gz OTFZWJKLUTXSHI-AWEZNQCLSA-N 1 1 335.429 0.159 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001028808659 755197717 /nfs/dbraw/zinc/19/77/17/755197717.db2.gz CNMWAJWYTJXJTJ-OAGGEKHMSA-N 1 1 335.448 0.638 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C)C2)C1=O ZINC000983324098 755212603 /nfs/dbraw/zinc/21/26/03/755212603.db2.gz ZHXKXVZKOVDZDC-FPCVCCKLSA-N 1 1 334.464 0.352 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C ZINC001088725254 755277118 /nfs/dbraw/zinc/27/71/18/755277118.db2.gz KZMITXNCOKQSNC-KGLIPLIRSA-N 1 1 334.420 0.658 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccn(CC)n3)C2)C1=O ZINC001028846245 755292657 /nfs/dbraw/zinc/29/26/57/755292657.db2.gz ZZIHVQOJEGQARL-HOCLYGCPSA-N 1 1 345.447 0.742 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCn3cccn3)C2)nn1 ZINC001028853112 755315189 /nfs/dbraw/zinc/31/51/89/755315189.db2.gz PIDUEOPDFACQOS-AWEZNQCLSA-N 1 1 329.408 0.413 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001087466374 755391160 /nfs/dbraw/zinc/39/11/60/755391160.db2.gz PPKFLWXLAKSGBP-BRWVUGGUSA-N 1 1 343.402 0.869 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001087466374 755391165 /nfs/dbraw/zinc/39/11/65/755391165.db2.gz PPKFLWXLAKSGBP-BRWVUGGUSA-N 1 1 343.402 0.869 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cn(CC)nn3)C2)C1=O ZINC001028897203 755426190 /nfs/dbraw/zinc/42/61/90/755426190.db2.gz GDRMWMUVGAPEJS-HIFRSBDPSA-N 1 1 346.435 0.137 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@H]1C(C)C ZINC001105665998 755534513 /nfs/dbraw/zinc/53/45/13/755534513.db2.gz CAJLJIPBXBYSJS-JOCBIADPSA-N 1 1 336.480 0.818 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083472595 755591855 /nfs/dbraw/zinc/59/18/55/755591855.db2.gz GQVBJASQYTZKCT-PILAGYSTSA-N 1 1 342.443 0.560 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)[C@@H](O)C1 ZINC001083477156 755605323 /nfs/dbraw/zinc/60/53/23/755605323.db2.gz CZEQTELJDSOQST-OAGGEKHMSA-N 1 1 333.436 0.527 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)[C@@H](O)C1 ZINC001083477156 755605327 /nfs/dbraw/zinc/60/53/27/755605327.db2.gz CZEQTELJDSOQST-OAGGEKHMSA-N 1 1 333.436 0.527 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(C)cn3)C2)nn1 ZINC001098656099 755661113 /nfs/dbraw/zinc/66/11/13/755661113.db2.gz LPWPQDFPNOLJRK-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001060063269 755688596 /nfs/dbraw/zinc/68/85/96/755688596.db2.gz JUURXIIXWCGOMR-AWEZNQCLSA-N 1 1 339.403 0.626 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H]2C)C1=O ZINC001088804399 755746889 /nfs/dbraw/zinc/74/68/89/755746889.db2.gz UIKGLUZPUXZZSH-XMEMRUQMSA-N 1 1 333.432 0.245 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H]2C)C1=O ZINC001088804399 755746890 /nfs/dbraw/zinc/74/68/90/755746890.db2.gz UIKGLUZPUXZZSH-XMEMRUQMSA-N 1 1 333.432 0.245 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)c1 ZINC000990720615 755751596 /nfs/dbraw/zinc/75/15/96/755751596.db2.gz BTCJSRHOVZOMOD-GOEBONIOSA-N 1 1 341.415 0.844 20 30 ECEDMO Cc1cc(=O)n2nc(C[NH2+]CCNC(=O)C#CC3CC3)sc2n1 ZINC001126886710 755802566 /nfs/dbraw/zinc/80/25/66/755802566.db2.gz XOUSOBGBIKHJDD-UHFFFAOYSA-N 1 1 331.401 0.079 20 30 ECEDMO CC(C)[C@@H]1N(C(=O)C[N@@H+](C)C(C)C)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2 ZINC001105675950 755842024 /nfs/dbraw/zinc/84/20/24/755842024.db2.gz SGPHNPAVCCVLRQ-XYVMCAHJSA-N 1 1 336.480 0.816 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2c(CC)nn(C)c2CC)[C@@H](O)C1 ZINC001083532113 755956679 /nfs/dbraw/zinc/95/66/79/755956679.db2.gz YEBHDTBZQJQSAZ-WBVHZDCISA-N 1 1 334.464 0.825 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001076028686 756016299 /nfs/dbraw/zinc/01/62/99/756016299.db2.gz KLUBKQVNHULTAB-LSDHHAIUSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001076028686 756016303 /nfs/dbraw/zinc/01/63/03/756016303.db2.gz KLUBKQVNHULTAB-LSDHHAIUSA-N 1 1 335.448 0.522 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3OCCCO3)C2)nn1 ZINC001098661457 756051479 /nfs/dbraw/zinc/05/14/79/756051479.db2.gz MVGRPJZTCNVJLV-HNNXBMFYSA-N 1 1 349.435 0.870 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CC3CCOCC3)C2)C1=O ZINC001010403727 756086774 /nfs/dbraw/zinc/08/67/74/756086774.db2.gz VJIDYCFUJKURIF-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC3CCOCC3)C2)C1=O ZINC001010403727 756086779 /nfs/dbraw/zinc/08/67/79/756086779.db2.gz VJIDYCFUJKURIF-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)n1 ZINC001076137568 756125081 /nfs/dbraw/zinc/12/50/81/756125081.db2.gz YJFOTRCBOGVBMK-JKSUJKDBSA-N 1 1 336.399 0.408 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)n1 ZINC001076137568 756125084 /nfs/dbraw/zinc/12/50/84/756125084.db2.gz YJFOTRCBOGVBMK-JKSUJKDBSA-N 1 1 336.399 0.408 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001076177565 756177171 /nfs/dbraw/zinc/17/71/71/756177171.db2.gz HGFDBNGLNNRVGG-QWHCGFSZSA-N 1 1 331.420 0.853 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001076183019 756181508 /nfs/dbraw/zinc/18/15/08/756181508.db2.gz IUDHYSFASDVKNR-OUCADQQQSA-N 1 1 331.420 0.851 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cc1F ZINC001010497957 756184986 /nfs/dbraw/zinc/18/49/86/756184986.db2.gz QGHRCVTWLCRLRT-UKRRQHHQSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cc1F ZINC001010497957 756184989 /nfs/dbraw/zinc/18/49/89/756184989.db2.gz QGHRCVTWLCRLRT-UKRRQHHQSA-N 1 1 344.390 0.914 20 30 ECEDMO O=C([C@@H]1CNC(=O)N1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076196649 756202594 /nfs/dbraw/zinc/20/25/94/756202594.db2.gz MZHTWWYOORDHJN-YESZJQIVSA-N 1 1 338.411 0.252 20 30 ECEDMO O=C([C@@H]1CNC(=O)N1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076196649 756202599 /nfs/dbraw/zinc/20/25/99/756202599.db2.gz MZHTWWYOORDHJN-YESZJQIVSA-N 1 1 338.411 0.252 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076218102 756221647 /nfs/dbraw/zinc/22/16/47/756221647.db2.gz WBSHMWQJJONGOE-SWLSCSKDSA-N 1 1 347.419 0.232 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076218102 756221652 /nfs/dbraw/zinc/22/16/52/756221652.db2.gz WBSHMWQJJONGOE-SWLSCSKDSA-N 1 1 347.419 0.232 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)n(C)n2)CC1 ZINC001010552426 756232475 /nfs/dbraw/zinc/23/24/75/756232475.db2.gz LUHXFTXLXOZEIK-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)n(C)n2)CC1 ZINC001010552426 756232478 /nfs/dbraw/zinc/23/24/78/756232478.db2.gz LUHXFTXLXOZEIK-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO Cn1cc(Cl)c(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051608698 762457057 /nfs/dbraw/zinc/45/70/57/762457057.db2.gz HBUMWHNKMAZGKX-ZDUSSCGKSA-N 1 1 336.823 0.804 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1nnnn1C1CC1 ZINC001051608642 762457121 /nfs/dbraw/zinc/45/71/21/762457121.db2.gz GRXRHGPJRRGEHI-SWLSCSKDSA-N 1 1 344.419 0.299 20 30 ECEDMO CC(C)n1cc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 ZINC001051609530 762459726 /nfs/dbraw/zinc/45/97/26/762459726.db2.gz VVYYVNQVSZFHNF-INIZCTEOSA-N 1 1 331.420 0.589 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)[nH]1 ZINC001010660673 756363170 /nfs/dbraw/zinc/36/31/70/756363170.db2.gz FDDBNAUHRDYSCB-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)cc1F ZINC001010677047 756388107 /nfs/dbraw/zinc/38/81/07/756388107.db2.gz MMNJCSJWKDEHAC-CYBMUJFWSA-N 1 1 344.350 0.385 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)cc1F ZINC001010677047 756388110 /nfs/dbraw/zinc/38/81/10/756388110.db2.gz MMNJCSJWKDEHAC-CYBMUJFWSA-N 1 1 344.350 0.385 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)nn1 ZINC001076345285 756395683 /nfs/dbraw/zinc/39/56/83/756395683.db2.gz YSSIGJVNWAJYPC-NWANDNLSSA-N 1 1 346.435 0.264 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@H+]([C@H](CC)C(N)=O)C[C@H]32)nn1 ZINC001076345285 756395685 /nfs/dbraw/zinc/39/56/85/756395685.db2.gz YSSIGJVNWAJYPC-NWANDNLSSA-N 1 1 346.435 0.264 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)COC)C2 ZINC001010722866 756444465 /nfs/dbraw/zinc/44/44/65/756444465.db2.gz MGBSDYIZSNNEDP-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)COC)C2 ZINC001010722866 756444467 /nfs/dbraw/zinc/44/44/67/756444467.db2.gz MGBSDYIZSNNEDP-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001010768987 756501174 /nfs/dbraw/zinc/50/11/74/756501174.db2.gz WDZAQXPXHOGORK-GJZGRUSLSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001010768987 756501175 /nfs/dbraw/zinc/50/11/75/756501175.db2.gz WDZAQXPXHOGORK-GJZGRUSLSA-N 1 1 329.404 0.376 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001076508820 756581173 /nfs/dbraw/zinc/58/11/73/756581173.db2.gz GMCXPBDLJXUMKG-LSDHHAIUSA-N 1 1 325.453 0.768 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001076505309 756588702 /nfs/dbraw/zinc/58/87/02/756588702.db2.gz PZYJJSLQMZLQOA-YJBOKZPZSA-N 1 1 335.448 0.523 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1C#N ZINC001010841015 756589781 /nfs/dbraw/zinc/58/97/81/756589781.db2.gz MDDADXUROAXBPM-UONOGXRCSA-N 1 1 344.371 0.366 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1C#N ZINC001010841015 756589784 /nfs/dbraw/zinc/58/97/84/756589784.db2.gz MDDADXUROAXBPM-UONOGXRCSA-N 1 1 344.371 0.366 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[C@@H]2C1 ZINC001076555187 756638223 /nfs/dbraw/zinc/63/82/23/756638223.db2.gz ANUFXDIVTRYSCU-ZMSDIMECSA-N 1 1 329.444 0.943 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076581904 756684223 /nfs/dbraw/zinc/68/42/23/756684223.db2.gz CIJJALVJAUMHFR-BFHYXJOUSA-N 1 1 327.450 0.177 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)[C@@H]2C1 ZINC001076600517 756716312 /nfs/dbraw/zinc/71/63/12/756716312.db2.gz JGTRXXMCEMFPFW-ARFHVFGLSA-N 1 1 327.432 0.705 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001010979416 756721609 /nfs/dbraw/zinc/72/16/09/756721609.db2.gz VMKWYGQOJIYMPQ-DFEHZGFQSA-N 1 1 332.448 0.795 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)c[nH]1 ZINC000990929303 756895090 /nfs/dbraw/zinc/89/50/90/756895090.db2.gz QBDNRSWTIGOVEU-CVEARBPZSA-N 1 1 341.415 0.844 20 30 ECEDMO Cn1cnc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@H]3C2)n1 ZINC001048803730 757047460 /nfs/dbraw/zinc/04/74/60/757047460.db2.gz KMGPIESDKBUJNL-TXEJJXNPSA-N 1 1 342.428 0.952 20 30 ECEDMO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](CC[C@@H]3CCCO3)C2)nn1 ZINC001107149606 757051482 /nfs/dbraw/zinc/05/14/82/757051482.db2.gz KPYANJAGPSZRML-DOMZBBRYSA-N 1 1 332.408 0.480 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001048873182 757248174 /nfs/dbraw/zinc/24/81/74/757248174.db2.gz ATTHNWOJOWXYKP-GJZGRUSLSA-N 1 1 334.420 0.578 20 30 ECEDMO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001048873443 757249198 /nfs/dbraw/zinc/24/91/98/757249198.db2.gz GAJYWYJZOHJTIA-ILXRZTDVSA-N 1 1 337.464 0.571 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001048873377 757249350 /nfs/dbraw/zinc/24/93/50/757249350.db2.gz DQWQAUGPBMVNNU-GJZGRUSLSA-N 1 1 346.431 0.271 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107175585 757251666 /nfs/dbraw/zinc/25/16/66/757251666.db2.gz OVNIGEIEWLEZCG-JTQLQIEISA-N 1 1 341.843 0.911 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001048874441 757253486 /nfs/dbraw/zinc/25/34/86/757253486.db2.gz ZNVVFFSZLIJNRY-JYJNAYRXSA-N 1 1 335.448 0.162 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12 ZINC000990994875 757293718 /nfs/dbraw/zinc/29/37/18/757293718.db2.gz GBJWXRLCFHJHQP-GDBMZVCRSA-N 1 1 339.461 0.158 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccsn4)C[C@H]3C2)C1=O ZINC001048885599 757300195 /nfs/dbraw/zinc/30/01/95/757300195.db2.gz ATZJSDMYCMFQQR-GUTXKFCHSA-N 1 1 346.456 0.934 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3nc(OC)cc(OC)n3)C[C@H]2C1 ZINC001048894502 757320071 /nfs/dbraw/zinc/32/00/71/757320071.db2.gz DMVYPHCAENOLHQ-BETUJISGSA-N 1 1 330.388 0.521 20 30 ECEDMO C#CCC1(C(=O)NCc2cn(C3C[NH+](C[C@@H](C)OC)C3)nn2)CCC1 ZINC001107178148 757331853 /nfs/dbraw/zinc/33/18/53/757331853.db2.gz JPXWQLLYTFFYMO-CQSZACIVSA-N 1 1 345.447 0.980 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2c2ccc(C#N)nn2)C1 ZINC001060144760 757358104 /nfs/dbraw/zinc/35/81/04/757358104.db2.gz IBXBEJODSIESDY-ZFWWWQNUSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCC(=O)N3C)nn2)C1 ZINC001107190920 757440122 /nfs/dbraw/zinc/44/01/22/757440122.db2.gz HZKKFCSFGQWDCB-AWEZNQCLSA-N 1 1 346.435 0.338 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCn3ccnc3)nn2)C1 ZINC001107190946 757441649 /nfs/dbraw/zinc/44/16/49/757441649.db2.gz JEHYOBXIKHYQKI-UHFFFAOYSA-N 1 1 329.408 0.614 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C[C@H]2C1 ZINC001048955001 757504860 /nfs/dbraw/zinc/50/48/60/757504860.db2.gz NBNWSZVWWGLUOS-OAGGEKHMSA-N 1 1 327.432 0.562 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@H]2C1 ZINC001048961274 757527089 /nfs/dbraw/zinc/52/70/89/757527089.db2.gz XPIZPBORRIGIIN-VVLHAWIVSA-N 1 1 335.448 0.589 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c[nH]1 ZINC001076907156 757563004 /nfs/dbraw/zinc/56/30/04/757563004.db2.gz CQZBPPVQKBBJBX-IAGOWNOFSA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c[nH]1 ZINC001076907156 757563012 /nfs/dbraw/zinc/56/30/12/757563012.db2.gz CQZBPPVQKBBJBX-IAGOWNOFSA-N 1 1 335.367 0.733 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001021592477 757656760 /nfs/dbraw/zinc/65/67/60/757656760.db2.gz DEKLXOZKIWWWTE-JKSUJKDBSA-N 1 1 326.400 0.664 20 30 ECEDMO C=CCC1(C(=O)NCc2cn(C3C[NH+](C[C@@H](C)O)C3)nn2)CCC1 ZINC001107205226 757658536 /nfs/dbraw/zinc/65/85/36/757658536.db2.gz PPPIDFPKVSIQHQ-CYBMUJFWSA-N 1 1 333.436 0.878 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021615774 757688747 /nfs/dbraw/zinc/68/87/47/757688747.db2.gz GTRPIJRHCSTBDC-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cncs1 ZINC001076981025 757797694 /nfs/dbraw/zinc/79/76/94/757797694.db2.gz HDMCLKAXRCJNMX-ZFWWWQNUSA-N 1 1 348.472 0.794 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cncs1 ZINC001076981025 757797697 /nfs/dbraw/zinc/79/76/97/757797697.db2.gz HDMCLKAXRCJNMX-ZFWWWQNUSA-N 1 1 348.472 0.794 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021712311 757846625 /nfs/dbraw/zinc/84/66/25/757846625.db2.gz IKGVBPSIKKUELA-LSDHHAIUSA-N 1 1 346.431 0.265 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4OCC[C@H]4C)C[C@H]3C2)C1=O ZINC001049067117 757862268 /nfs/dbraw/zinc/86/22/68/757862268.db2.gz YYPWFEGVXFNKEX-UUAJXVIYSA-N 1 1 347.459 0.589 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001021729871 757871546 /nfs/dbraw/zinc/87/15/46/757871546.db2.gz IFXMZFCJHQZILL-KBPBESRZSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CC[NH2+][C@H]1CN(C(=O)c2cn[nH]c2-c2cnn(C)c2)CC1(C)C ZINC000996500314 757872087 /nfs/dbraw/zinc/87/20/87/757872087.db2.gz GWVZSLSKOVUSNP-AWEZNQCLSA-N 1 1 326.404 0.884 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001021730367 757874170 /nfs/dbraw/zinc/87/41/70/757874170.db2.gz MXZMLQQGTUBYSH-CVEARBPZSA-N 1 1 332.448 0.723 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)n2C)C1 ZINC001021739064 757887699 /nfs/dbraw/zinc/88/76/99/757887699.db2.gz GHWFHVKPARMBNB-CABCVRRESA-N 1 1 330.432 0.674 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049104447 757967478 /nfs/dbraw/zinc/96/74/78/757967478.db2.gz MPVBCCLEGNCKPQ-QEOTZNIISA-N 1 1 347.459 0.636 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)[C@@H](O)C1 ZINC001083560303 757973135 /nfs/dbraw/zinc/97/31/35/757973135.db2.gz ZMOHOTSCNOGERM-NXHRZFHOSA-N 1 1 327.428 0.698 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001049111914 757988705 /nfs/dbraw/zinc/98/87/05/757988705.db2.gz XMHBTFUXAJSRGM-IKGGRYGDSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)C[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107229041 757990378 /nfs/dbraw/zinc/99/03/78/757990378.db2.gz AAWYRVYUNDXQRR-CQSZACIVSA-N 1 1 330.436 0.116 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@H]2C1 ZINC001049113533 757997258 /nfs/dbraw/zinc/99/72/58/757997258.db2.gz OOBKFBSVZGMDSO-IJEWVQPXSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)nn2)C1 ZINC001107238083 758028876 /nfs/dbraw/zinc/02/88/76/758028876.db2.gz GJPMHZSJGHJRFU-GASCZTMLSA-N 1 1 344.463 0.647 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CNC(=O)C3CCC3)nn2)C1 ZINC001107238565 758032752 /nfs/dbraw/zinc/03/27/52/758032752.db2.gz CYGIGASKIPENOB-UHFFFAOYSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001077046078 758045702 /nfs/dbraw/zinc/04/57/02/758045702.db2.gz BEIZMYGONABYAN-ARFHVFGLSA-N 1 1 335.448 0.372 20 30 ECEDMO N#Cc1cnc(NC/C=C\CNC(=O)CC[NH+]2CCOCC2)c(F)c1 ZINC001107253272 758048023 /nfs/dbraw/zinc/04/80/23/758048023.db2.gz AEZKQTTYXSTRMP-UPHRSURJSA-N 1 1 347.394 0.899 20 30 ECEDMO C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001077066548 758079326 /nfs/dbraw/zinc/07/93/26/758079326.db2.gz RRODHOXZRAWDOU-LSDHHAIUSA-N 1 1 341.452 0.311 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@]4(C)CCOC4)C[C@H]3C2)C1=O ZINC001049133501 758080878 /nfs/dbraw/zinc/08/08/78/758080878.db2.gz KHELXKCXCUOZPE-CYJAXWMASA-N 1 1 347.459 0.590 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnccn3)CCC[C@@H]12 ZINC001107261632 758088224 /nfs/dbraw/zinc/08/82/24/758088224.db2.gz LEFIQDHNEUBLNN-RHSMWYFYSA-N 1 1 342.403 0.091 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001077084247 758119074 /nfs/dbraw/zinc/11/90/74/758119074.db2.gz NYPROSYFVZIAKV-FVQBIDKESA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001077084247 758119078 /nfs/dbraw/zinc/11/90/78/758119078.db2.gz NYPROSYFVZIAKV-FVQBIDKESA-N 1 1 335.448 0.208 20 30 ECEDMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C1CC1 ZINC001021991675 758142388 /nfs/dbraw/zinc/14/23/88/758142388.db2.gz VCFKEXIRMATUSD-JLLWLGSASA-N 1 1 340.391 0.819 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(=O)CC)c2)C1 ZINC001077088747 758156303 /nfs/dbraw/zinc/15/63/03/758156303.db2.gz HRHKEHJKXOHPBO-HZPDHXFCSA-N 1 1 329.400 0.833 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001011660732 758231344 /nfs/dbraw/zinc/23/13/44/758231344.db2.gz CIXSEYWHKKJVNN-GXTWGEPZSA-N 1 1 340.387 0.811 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@H]3C2)cn1 ZINC001049177413 758231399 /nfs/dbraw/zinc/23/13/99/758231399.db2.gz AMVNZEWHYSDUAR-IYBDPMFKSA-N 1 1 338.411 0.299 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@](C)(O)C=C ZINC001077123895 758251015 /nfs/dbraw/zinc/25/10/15/758251015.db2.gz FKBZAUCUNCVXLE-RLFYNMQTSA-N 1 1 335.448 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@](C)(O)C=C ZINC001077123895 758251027 /nfs/dbraw/zinc/25/10/27/758251027.db2.gz FKBZAUCUNCVXLE-RLFYNMQTSA-N 1 1 335.448 0.422 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)OC)CCC[C@@H]12 ZINC001107317018 758255268 /nfs/dbraw/zinc/25/52/68/758255268.db2.gz RCVFDBTUZRXYFX-IIDMSEBBSA-N 1 1 335.448 0.522 20 30 ECEDMO Cc1cc(N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](O)C2)nc(C)[nH+]1 ZINC001051658186 762612419 /nfs/dbraw/zinc/61/24/19/762612419.db2.gz NDNMCBPXKVAGTH-UKRRQHHQSA-N 1 1 340.387 0.663 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]2C1 ZINC001049191478 758260611 /nfs/dbraw/zinc/26/06/11/758260611.db2.gz WSPUMXZMMSRABV-JCGIZDLHSA-N 1 1 339.439 0.735 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077128878 758266812 /nfs/dbraw/zinc/26/68/12/758266812.db2.gz JJSNXEGCBTYWAD-RBSFLKMASA-N 1 1 329.872 0.878 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001107330944 758272156 /nfs/dbraw/zinc/27/21/56/758272156.db2.gz UTOFGNRKYGOPLU-GDBMZVCRSA-N 1 1 344.477 0.594 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001107330944 758272161 /nfs/dbraw/zinc/27/21/61/758272161.db2.gz UTOFGNRKYGOPLU-GDBMZVCRSA-N 1 1 344.477 0.594 20 30 ECEDMO CCNC(=O)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107327246 758293541 /nfs/dbraw/zinc/29/35/41/758293541.db2.gz UNBABKJDKNQMOC-VQIMIIECSA-N 1 1 349.475 0.913 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cocn3)CCC[C@@H]12 ZINC001107329006 758303189 /nfs/dbraw/zinc/30/31/89/758303189.db2.gz FAYPKWTVYWBWSV-CZUORRHYSA-N 1 1 331.376 0.289 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3ccon3)CCC[C@@H]12 ZINC001107343047 758312715 /nfs/dbraw/zinc/31/27/15/758312715.db2.gz IWTJGIJDEGIWRY-CRAIPNDOSA-N 1 1 346.431 0.880 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)Cn3c(=O)oc4ccccc43)C[C@H]2C1 ZINC001049209843 758316295 /nfs/dbraw/zinc/31/62/95/758316295.db2.gz LQCAVLXWFWHARF-OKILXGFUSA-N 1 1 325.368 0.618 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cn(C)cn3)CCC[C@@H]12 ZINC001107356978 758382820 /nfs/dbraw/zinc/38/28/20/758382820.db2.gz QYZXMQLDKCGCJK-CRAIPNDOSA-N 1 1 345.447 0.697 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N(C)C3)C[C@H]2C1 ZINC001049235138 758404437 /nfs/dbraw/zinc/40/44/37/758404437.db2.gz UBYADXNOROTPBD-MCIONIFRSA-N 1 1 325.840 0.998 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001014410725 762628139 /nfs/dbraw/zinc/62/81/39/762628139.db2.gz VZOLJFCDNAQUKR-HIFRSBDPSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001014410725 762628140 /nfs/dbraw/zinc/62/81/40/762628140.db2.gz VZOLJFCDNAQUKR-HIFRSBDPSA-N 1 1 329.404 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2noc(CCC)n2)C1 ZINC001022220539 758440580 /nfs/dbraw/zinc/44/05/80/758440580.db2.gz IVHVOMAHZRIQHR-ZNMIVQPWSA-N 1 1 345.447 0.857 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2noc(CCC)n2)C1 ZINC001022220539 758440584 /nfs/dbraw/zinc/44/05/84/758440584.db2.gz IVHVOMAHZRIQHR-ZNMIVQPWSA-N 1 1 345.447 0.857 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001049268397 758459485 /nfs/dbraw/zinc/45/94/85/758459485.db2.gz NSIXCIFWWHDOTH-PMPSAXMXSA-N 1 1 339.480 0.959 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC)CC2 ZINC001107403185 758473661 /nfs/dbraw/zinc/47/36/61/758473661.db2.gz YRLJGAQWMUAYLZ-HDMKZQKVSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cn[nH]c2)C1=O ZINC001049339929 758536040 /nfs/dbraw/zinc/53/60/40/758536040.db2.gz GZMJCASWZREURD-XHSDSOJGSA-N 1 1 343.431 0.876 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC001011773612 758542717 /nfs/dbraw/zinc/54/27/17/758542717.db2.gz YVMJPJOYMQFYOK-NHYWBVRUSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)CCOC)CCC[C@@H]12 ZINC001107453817 758611430 /nfs/dbraw/zinc/61/14/30/758611430.db2.gz AKRZJDPAEUBPOT-GDBMZVCRSA-N 1 1 342.461 0.042 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)CCOC)CCC[C@@H]12 ZINC001107453817 758611433 /nfs/dbraw/zinc/61/14/33/758611433.db2.gz AKRZJDPAEUBPOT-GDBMZVCRSA-N 1 1 342.461 0.042 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@@H](O)C1 ZINC001083569704 758617591 /nfs/dbraw/zinc/61/75/91/758617591.db2.gz INNOPIWIFMUXEV-KXNHARMFSA-N 1 1 338.326 0.070 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001077261945 758622554 /nfs/dbraw/zinc/62/25/54/758622554.db2.gz TXEFEMKPSQGBDG-HUUCEWRRSA-N 1 1 326.356 0.134 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001011805771 758629407 /nfs/dbraw/zinc/62/94/07/758629407.db2.gz QCPORGRWDCWGLK-YOEHRIQHSA-N 1 1 340.427 0.545 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001077297879 758728301 /nfs/dbraw/zinc/72/83/01/758728301.db2.gz BFZSEAOTVIUGNL-HUUCEWRRSA-N 1 1 327.388 0.823 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1nc(C#N)c(Cl)s1 ZINC001105909932 762660491 /nfs/dbraw/zinc/66/04/91/762660491.db2.gz OXQZIIMTNQZLMW-SECBINFHSA-N 1 1 345.856 0.899 20 30 ECEDMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001014426291 762660067 /nfs/dbraw/zinc/66/00/67/762660067.db2.gz GPHFNZFKBOXSMX-OAHLLOKOSA-N 1 1 344.806 0.569 20 30 ECEDMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001014426291 762660070 /nfs/dbraw/zinc/66/00/70/762660070.db2.gz GPHFNZFKBOXSMX-OAHLLOKOSA-N 1 1 344.806 0.569 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527992 758865507 /nfs/dbraw/zinc/86/55/07/758865507.db2.gz YUIXPWNDABEGNT-TUAOUCFPSA-N 1 1 340.811 0.402 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527992 758865515 /nfs/dbraw/zinc/86/55/15/758865515.db2.gz YUIXPWNDABEGNT-TUAOUCFPSA-N 1 1 340.811 0.402 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001049542192 758895545 /nfs/dbraw/zinc/89/55/45/758895545.db2.gz HANVHIZVYLEEPQ-PMPSAXMXSA-N 1 1 339.480 0.961 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001077358932 758902929 /nfs/dbraw/zinc/90/29/29/758902929.db2.gz NLYCDHFRNUILIA-FVQBIDKESA-N 1 1 332.375 0.876 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001077358932 758902934 /nfs/dbraw/zinc/90/29/34/758902934.db2.gz NLYCDHFRNUILIA-FVQBIDKESA-N 1 1 332.375 0.876 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 ZINC001049559195 758921342 /nfs/dbraw/zinc/92/13/42/758921342.db2.gz VVEGGTUBCXHGTN-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(COC)CC1 ZINC001077369204 758921927 /nfs/dbraw/zinc/92/19/27/758921927.db2.gz RZACOJRQEPWWNU-GJZGRUSLSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(COC)CC1 ZINC001077369204 758921932 /nfs/dbraw/zinc/92/19/32/758921932.db2.gz RZACOJRQEPWWNU-GJZGRUSLSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049575315 758948838 /nfs/dbraw/zinc/94/88/38/758948838.db2.gz BPPHFNBELVAPFP-UONOGXRCSA-N 1 1 330.388 0.038 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049610115 758989136 /nfs/dbraw/zinc/98/91/36/758989136.db2.gz ZIUNTYSKMCEENA-RRFJBIMHSA-N 1 1 327.388 0.064 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc3ccc(OC)nn32)[C@@H](O)C1 ZINC001083581232 759072331 /nfs/dbraw/zinc/07/23/31/759072331.db2.gz OZGYCWZGZKOMHL-YPMHNXCESA-N 1 1 331.376 0.089 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc3ccc(OC)nn32)[C@@H](O)C1 ZINC001083581232 759072336 /nfs/dbraw/zinc/07/23/36/759072336.db2.gz OZGYCWZGZKOMHL-YPMHNXCESA-N 1 1 331.376 0.089 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)cc1 ZINC001049693405 759106997 /nfs/dbraw/zinc/10/69/97/759106997.db2.gz YNANOKWWALDDPG-HOTGVXAUSA-N 1 1 342.399 0.640 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001049780540 759197026 /nfs/dbraw/zinc/19/70/26/759197026.db2.gz IDDRJKQFNPBHPT-ZNMIVQPWSA-N 1 1 339.461 0.109 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001049783979 759201629 /nfs/dbraw/zinc/20/16/29/759201629.db2.gz VVEYODVDEBHVPZ-BRSBDYLESA-N 1 1 342.443 0.987 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049787507 759207165 /nfs/dbraw/zinc/20/71/65/759207165.db2.gz ITZYNLZFUJQJOA-CABCVRRESA-N 1 1 344.415 0.015 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049812039 759244199 /nfs/dbraw/zinc/24/41/99/759244199.db2.gz OGOOPVWEMRUAHV-KBPBESRZSA-N 1 1 330.388 0.437 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049828313 759262311 /nfs/dbraw/zinc/26/23/11/759262311.db2.gz ZKVDNEQCFVCXEP-KGLIPLIRSA-N 1 1 346.431 0.405 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049827591 759262657 /nfs/dbraw/zinc/26/26/57/759262657.db2.gz XACKELGMCPDHBQ-KBPBESRZSA-N 1 1 348.447 0.958 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn([C@H]2CCOC2)nn1 ZINC001049832234 759269625 /nfs/dbraw/zinc/26/96/25/759269625.db2.gz UQJRNAFLLMVEEO-USXIJHARSA-N 1 1 343.431 0.942 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@@H](O)C1 ZINC001083612292 759296166 /nfs/dbraw/zinc/29/61/66/759296166.db2.gz LVULXBOKKKPUGX-CABCVRRESA-N 1 1 336.436 0.112 20 30 ECEDMO C=C(C)CN1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@@H](O)C1 ZINC001083612292 759296170 /nfs/dbraw/zinc/29/61/70/759296170.db2.gz LVULXBOKKKPUGX-CABCVRRESA-N 1 1 336.436 0.112 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049849702 759298653 /nfs/dbraw/zinc/29/86/53/759298653.db2.gz PPWJHFYCOLGKQR-OLZOCXBDSA-N 1 1 328.376 0.283 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O ZINC001049871871 759324980 /nfs/dbraw/zinc/32/49/80/759324980.db2.gz SQOMWOJCTZWQCF-LSDHHAIUSA-N 1 1 333.436 0.532 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049872296 759327427 /nfs/dbraw/zinc/32/74/27/759327427.db2.gz QYLSUWMWYSGXJE-UONOGXRCSA-N 1 1 348.447 0.958 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049880737 759338204 /nfs/dbraw/zinc/33/82/04/759338204.db2.gz DSROFUQILOPUCQ-KBPBESRZSA-N 1 1 334.420 0.570 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001047634098 759357790 /nfs/dbraw/zinc/35/77/90/759357790.db2.gz VXBLJUPGPKNGLN-HOTGVXAUSA-N 1 1 341.415 0.487 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001047634098 759357801 /nfs/dbraw/zinc/35/78/01/759357801.db2.gz VXBLJUPGPKNGLN-HOTGVXAUSA-N 1 1 341.415 0.487 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001047636574 759368547 /nfs/dbraw/zinc/36/85/47/759368547.db2.gz QNRKXAMWNUSHMY-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001049898352 759375403 /nfs/dbraw/zinc/37/54/03/759375403.db2.gz ATYFSRGJXQVONH-HZSPNIEDSA-N 1 1 327.450 0.320 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001047639010 759377650 /nfs/dbraw/zinc/37/76/50/759377650.db2.gz CSBDBSNBXIONBL-HOTGVXAUSA-N 1 1 341.415 0.417 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001047639010 759377659 /nfs/dbraw/zinc/37/76/59/759377659.db2.gz CSBDBSNBXIONBL-HOTGVXAUSA-N 1 1 341.415 0.417 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001047648721 759406791 /nfs/dbraw/zinc/40/67/91/759406791.db2.gz ACBWVJYXCJWKTA-YESZJQIVSA-N 1 1 328.412 0.825 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3nnn(C)c32)C1 ZINC001047654385 759416230 /nfs/dbraw/zinc/41/62/30/759416230.db2.gz WAXZZVSSQMRFIF-GJZGRUSLSA-N 1 1 329.404 0.662 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001054242215 767857690 /nfs/dbraw/zinc/85/76/90/767857690.db2.gz HURBFNYZALZFLX-HKUYNNGSSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(C)c(=O)n1C)C2 ZINC001054246271 767862438 /nfs/dbraw/zinc/86/24/38/767862438.db2.gz TWRBZEKFBCXYBB-GOSISDBHSA-N 1 1 330.432 0.675 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001050003478 759532695 /nfs/dbraw/zinc/53/26/95/759532695.db2.gz CSVCZMLMWXFTRV-JKSUJKDBSA-N 1 1 326.400 0.856 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001050025169 759564886 /nfs/dbraw/zinc/56/48/86/759564886.db2.gz QPWOIACYJKIGPQ-SWLSCSKDSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(-c4cccnc4)nn3)[C@@H]2C1 ZINC001050060585 759634508 /nfs/dbraw/zinc/63/45/08/759634508.db2.gz SZIYMLNFCTVWJU-WMLDXEAASA-N 1 1 336.399 0.832 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089435 759684253 /nfs/dbraw/zinc/68/42/53/759684253.db2.gz HEZILHRPXIQAIR-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089435 759684258 /nfs/dbraw/zinc/68/42/58/759684258.db2.gz HEZILHRPXIQAIR-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125111393 759717611 /nfs/dbraw/zinc/71/76/11/759717611.db2.gz WHLPRUYBIHHMPS-CABCVRRESA-N 1 1 331.420 0.160 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)c(C)n1 ZINC001125132768 759793352 /nfs/dbraw/zinc/79/33/52/759793352.db2.gz HMJFZLXSARHPNC-INIZCTEOSA-N 1 1 347.463 0.859 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC=C(CNC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001017364554 767896398 /nfs/dbraw/zinc/89/63/98/767896398.db2.gz ACQPHABXFFGDAR-HNNXBMFYSA-N 1 1 341.415 0.727 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cnccc3=O)[C@@H]2C1 ZINC001050174118 759865287 /nfs/dbraw/zinc/86/52/87/759865287.db2.gz GPIRTPVDKJTXKD-JKSUJKDBSA-N 1 1 328.416 0.580 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001050179743 759879741 /nfs/dbraw/zinc/87/97/41/759879741.db2.gz QCLZEBMZFAAVBO-ZMSDIMECSA-N 1 1 343.431 0.799 20 30 ECEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054292019 767900496 /nfs/dbraw/zinc/90/04/96/767900496.db2.gz PIAYHSXGOQALSK-INIZCTEOSA-N 1 1 349.456 0.886 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993015805 767906314 /nfs/dbraw/zinc/90/63/14/767906314.db2.gz PNFVCPQTBRJMRD-NVXWUHKLSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993015805 767906318 /nfs/dbraw/zinc/90/63/18/767906318.db2.gz PNFVCPQTBRJMRD-NVXWUHKLSA-N 1 1 338.415 0.694 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1OC ZINC001212139477 759973275 /nfs/dbraw/zinc/97/32/75/759973275.db2.gz YYUBCAMZHSEQBH-IAGOWNOFSA-N 1 1 343.427 0.450 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=C)C)nn2)C1 ZINC001098672838 760032580 /nfs/dbraw/zinc/03/25/80/760032580.db2.gz JMJSXGBKKZYYNO-GDBMZVCRSA-N 1 1 331.420 0.756 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001050297175 760078127 /nfs/dbraw/zinc/07/81/27/760078127.db2.gz LLRNLJNSEZFHPH-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001050316208 760111859 /nfs/dbraw/zinc/11/18/59/760111859.db2.gz GFAYSTHUKIUMFT-AULYBMBSSA-N 1 1 342.407 0.488 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)n1 ZINC001050328655 760136261 /nfs/dbraw/zinc/13/62/61/760136261.db2.gz KQRMQOCIACINKI-IPYPFGDCSA-N 1 1 342.447 0.946 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1c1cnc(C#N)cn1 ZINC001050454179 760289350 /nfs/dbraw/zinc/28/93/50/760289350.db2.gz FRVGCQNRLWYLTD-NFAWXSAZSA-N 1 1 328.420 0.773 20 30 ECEDMO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583836 760450102 /nfs/dbraw/zinc/45/01/02/760450102.db2.gz PBMJFOSJXGEUIL-BPLDGKMQSA-N 1 1 338.839 0.668 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(C)c2)C1=O ZINC001032272392 760458144 /nfs/dbraw/zinc/45/81/44/760458144.db2.gz WRXAADAZLOUZNE-SOUVJXGZSA-N 1 1 329.404 0.106 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(C)c2)C1=O ZINC001032272392 760458147 /nfs/dbraw/zinc/45/81/47/760458147.db2.gz WRXAADAZLOUZNE-SOUVJXGZSA-N 1 1 329.404 0.106 20 30 ECEDMO N#CCSCC(=O)NCc1cn(C2C[NH+](CCCF)C2)nn1 ZINC001107129743 760523268 /nfs/dbraw/zinc/52/32/68/760523268.db2.gz NDDPZPDXOOAPDH-UHFFFAOYSA-N 1 1 326.401 0.367 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@H]12 ZINC000991385352 760625870 /nfs/dbraw/zinc/62/58/70/760625870.db2.gz KXWPTEYVZXONJU-QFBILLFUSA-N 1 1 340.427 0.860 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)C2 ZINC001048533405 760673527 /nfs/dbraw/zinc/67/35/27/760673527.db2.gz BMJIXGJYWUQFHB-QDMKHBRRSA-N 1 1 328.416 0.776 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C2)CC1 ZINC001050695957 760679265 /nfs/dbraw/zinc/67/92/65/760679265.db2.gz PZRDBPUUXRVDQK-MRXNPFEDSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccnc3c1nnn3C)C2 ZINC001048556957 760711967 /nfs/dbraw/zinc/71/19/67/760711967.db2.gz ZKJULBQWYVHGBK-BTTYYORXSA-N 1 1 338.415 0.969 20 30 ECEDMO C=CCC(CC=C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001048558026 760714313 /nfs/dbraw/zinc/71/43/13/760714313.db2.gz KENFNBVSILUXCL-IKGGRYGDSA-N 1 1 349.475 0.879 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001048586327 760757944 /nfs/dbraw/zinc/75/79/44/760757944.db2.gz FKNKPZLIYPBGML-YYIAUSFCSA-N 1 1 335.448 0.779 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1cncc(C#N)n1 ZINC001048613596 760792760 /nfs/dbraw/zinc/79/27/60/760792760.db2.gz VAHLTEJREPLBEN-ZNMIVQPWSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1cncc(C#N)n1 ZINC001048613596 760792766 /nfs/dbraw/zinc/79/27/66/760792766.db2.gz VAHLTEJREPLBEN-ZNMIVQPWSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cnn(C)c4)C[C@H]3C2)C1=O ZINC001048672186 760908278 /nfs/dbraw/zinc/90/82/78/760908278.db2.gz CZWCRKZJHYXAHL-OWCLPIDISA-N 1 1 343.431 0.211 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C)n[nH]4)C[C@H]3C2)C1=O ZINC001048703698 760978537 /nfs/dbraw/zinc/97/85/37/760978537.db2.gz BYZSHVZWJMNQDS-IJEWVQPXSA-N 1 1 343.431 0.509 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)c4cc(C)[nH]n4)C[C@H]3C2)C1=O ZINC001048703698 760978542 /nfs/dbraw/zinc/97/85/42/760978542.db2.gz BYZSHVZWJMNQDS-IJEWVQPXSA-N 1 1 343.431 0.509 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C)[nH]n4)C[C@H]3C2)C1=O ZINC001048703698 760978552 /nfs/dbraw/zinc/97/85/52/760978552.db2.gz BYZSHVZWJMNQDS-IJEWVQPXSA-N 1 1 343.431 0.509 20 30 ECEDMO C[NH+](C)CC#CCNC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000913519230 761047771 /nfs/dbraw/zinc/04/77/71/761047771.db2.gz SROVYYGZEUAZSE-UHFFFAOYSA-N 1 1 329.448 0.275 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3noc4c3COCC4)C[C@@H]2C1 ZINC001048725605 761050024 /nfs/dbraw/zinc/05/00/24/761050024.db2.gz TYAZSBJWLSUKHH-UPJWGTAASA-N 1 1 330.388 0.797 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3noc4c3COCC4)C[C@@H]2C1 ZINC001048725605 761050031 /nfs/dbraw/zinc/05/00/31/761050031.db2.gz TYAZSBJWLSUKHH-UPJWGTAASA-N 1 1 330.388 0.797 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)c[nH]1 ZINC001050880892 761064000 /nfs/dbraw/zinc/06/40/00/761064000.db2.gz ZDOWDRTWHSIJFM-XJKSGUPXSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H]2CCCOC2)c[nH]1 ZINC001050880892 761064008 /nfs/dbraw/zinc/06/40/08/761064008.db2.gz ZDOWDRTWHSIJFM-XJKSGUPXSA-N 1 1 332.404 0.744 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001017462220 768008403 /nfs/dbraw/zinc/00/84/03/768008403.db2.gz OVZNFVDFJSGFSV-CQSZACIVSA-N 1 1 341.415 0.727 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001077446838 761173992 /nfs/dbraw/zinc/17/39/92/761173992.db2.gz WORCFSGSUOFYOT-MGPQQGTHSA-N 1 1 336.461 0.849 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)C1 ZINC000991491993 761194705 /nfs/dbraw/zinc/19/47/05/761194705.db2.gz YZNSKLCRHHWHOQ-CABCVRRESA-N 1 1 346.431 0.626 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001077449004 761231331 /nfs/dbraw/zinc/23/13/31/761231331.db2.gz QHLRGZNCUVLPLZ-GVDBMIGSSA-N 1 1 328.412 0.964 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001013257222 761233090 /nfs/dbraw/zinc/23/30/90/761233090.db2.gz AFPBJAOLNLGLAA-RISCZKNCSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001013263317 761243978 /nfs/dbraw/zinc/24/39/78/761243978.db2.gz RZDYGQIAUMDDOW-IAQYHMDHSA-N 1 1 340.387 0.811 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2cnc3ccc(C)cc32)[C@@H](O)C1 ZINC001083724444 768025721 /nfs/dbraw/zinc/02/57/21/768025721.db2.gz IUXGZXHCSVDECY-WBVHZDCISA-N 1 1 326.400 0.529 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cnc3ccc(C)cc32)[C@@H](O)C1 ZINC001083724444 768025725 /nfs/dbraw/zinc/02/57/25/768025725.db2.gz IUXGZXHCSVDECY-WBVHZDCISA-N 1 1 326.400 0.529 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1OC ZINC001212150070 761318806 /nfs/dbraw/zinc/31/88/06/761318806.db2.gz NUWFDLPDMZOYHW-IAGOWNOFSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CCCC(=O)N(C)C)CC2)C1 ZINC001105730974 761382473 /nfs/dbraw/zinc/38/24/73/761382473.db2.gz GNKVWVBHWLPQBS-UHFFFAOYSA-N 1 1 349.475 0.960 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001054543654 768036165 /nfs/dbraw/zinc/03/61/65/768036165.db2.gz PLBZHEDUSWLSLX-RBZJEDDUSA-N 1 1 332.448 0.984 20 30 ECEDMO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001054587526 768055284 /nfs/dbraw/zinc/05/52/84/768055284.db2.gz LRNUGKLLMYWWKY-SMDDNHRTSA-N 1 1 345.382 0.698 20 30 ECEDMO C#CCCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001051190702 761653614 /nfs/dbraw/zinc/65/36/14/761653614.db2.gz XSDFMENHSMVCSS-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1c1ccncc1C#N ZINC001051196903 761668779 /nfs/dbraw/zinc/66/87/79/761668779.db2.gz ORDMAFRZPXZEPI-LNCBFAARSA-N 1 1 343.431 0.756 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1c1ccncc1C#N ZINC001051196903 761668785 /nfs/dbraw/zinc/66/87/85/761668785.db2.gz ORDMAFRZPXZEPI-LNCBFAARSA-N 1 1 343.431 0.756 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(CCO)CCNc1nccnc1C#N ZINC001111525450 761816344 /nfs/dbraw/zinc/81/63/44/761816344.db2.gz AOBMOAOVGBCESD-UHFFFAOYSA-N 1 1 334.424 0.311 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](n3cc(CNCC#N)nn3)C2)CC[N@H+]1C ZINC001098676892 762838452 /nfs/dbraw/zinc/83/84/52/762838452.db2.gz ZKNWSMMOSKWACE-OWCLPIDISA-N 1 1 345.451 0.395 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001105933914 762886620 /nfs/dbraw/zinc/88/66/20/762886620.db2.gz DBZDJJPUTBNJEP-HNNXBMFYSA-N 1 1 348.451 0.749 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001105935235 762891144 /nfs/dbraw/zinc/89/11/44/762891144.db2.gz QFXARQCKQXKBJG-INIZCTEOSA-N 1 1 347.463 0.776 20 30 ECEDMO Cc1nc(NCC[C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001106295031 768092436 /nfs/dbraw/zinc/09/24/36/768092436.db2.gz WVRIIMNQSVCBBE-DOMZBBRYSA-N 1 1 331.420 0.899 20 30 ECEDMO Cc1nc(NCC[C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001106295031 768092443 /nfs/dbraw/zinc/09/24/43/768092443.db2.gz WVRIIMNQSVCBBE-DOMZBBRYSA-N 1 1 331.420 0.899 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn(CC)n3)C2)C1 ZINC001051815004 763029388 /nfs/dbraw/zinc/02/93/88/763029388.db2.gz OAJFLIJDLJRDLV-HNNXBMFYSA-N 1 1 333.436 0.971 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H](C[NH2+][C@H](C)c3nnnn3C)C2)C1 ZINC001051814946 763029555 /nfs/dbraw/zinc/02/95/55/763029555.db2.gz MVUGNXSWCOWBMQ-CHWSQXEVSA-N 1 1 334.424 0.444 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCOCC3=O)C2)c1 ZINC001014736622 763058756 /nfs/dbraw/zinc/05/87/56/763058756.db2.gz LFAYGOCJDNQERN-INIZCTEOSA-N 1 1 342.399 0.108 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CCN3CCCC3=O)C2)cn1 ZINC001046779481 763113779 /nfs/dbraw/zinc/11/37/79/763113779.db2.gz UGHUGJJGEGKUBZ-LJQANCHMSA-N 1 1 340.427 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(OC)ns2)C1 ZINC001014771153 763128498 /nfs/dbraw/zinc/12/84/98/763128498.db2.gz WKSIUVZQNFLXRV-HIFRSBDPSA-N 1 1 348.472 0.940 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(OC)ns2)C1 ZINC001014771153 763128503 /nfs/dbraw/zinc/12/85/03/763128503.db2.gz WKSIUVZQNFLXRV-HIFRSBDPSA-N 1 1 348.472 0.940 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001105972514 763134868 /nfs/dbraw/zinc/13/48/68/763134868.db2.gz LGICJAOTFJMDOL-HUUCEWRRSA-N 1 1 331.420 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nn(CC)nc2C)C1 ZINC001014778331 763138604 /nfs/dbraw/zinc/13/86/04/763138604.db2.gz CVUHSDJCKQAIDJ-WBVHZDCISA-N 1 1 344.463 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nn(CC)nc2C)C1 ZINC001014778331 763138611 /nfs/dbraw/zinc/13/86/11/763138611.db2.gz CVUHSDJCKQAIDJ-WBVHZDCISA-N 1 1 344.463 0.395 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001054635280 768109518 /nfs/dbraw/zinc/10/95/18/768109518.db2.gz GUKYJYKMUUWMJO-YPMHNXCESA-N 1 1 337.374 0.893 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001054636290 768110860 /nfs/dbraw/zinc/11/08/60/768110860.db2.gz JTCVSIRVROZWHD-JSGCOSHPSA-N 1 1 329.404 0.158 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001046817740 763168776 /nfs/dbraw/zinc/16/87/76/763168776.db2.gz CSYFXOMPSBUBJZ-KRWDZBQOSA-N 1 1 326.404 0.959 20 30 ECEDMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)cc1=O ZINC001014792847 763170068 /nfs/dbraw/zinc/17/00/68/763170068.db2.gz OAFQDOWUQNOINO-OAHLLOKOSA-N 1 1 337.383 0.656 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COc1cnn(C)c1 ZINC001089853499 763186670 /nfs/dbraw/zinc/18/66/70/763186670.db2.gz USFDUEWJUPMPPC-HPBDAGMYSA-N 1 1 342.443 0.991 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 ZINC001046829684 763188595 /nfs/dbraw/zinc/18/85/95/763188595.db2.gz IXUKNDAJSHLCPL-YDHLFZDLSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 ZINC001046829684 763188599 /nfs/dbraw/zinc/18/85/99/763188599.db2.gz IXUKNDAJSHLCPL-YDHLFZDLSA-N 1 1 344.419 0.376 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001046849104 763226713 /nfs/dbraw/zinc/22/67/13/763226713.db2.gz BFZMJVNALMGMKH-KXBFYZLASA-N 1 1 348.491 0.389 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1=O ZINC001030432782 763242179 /nfs/dbraw/zinc/24/21/79/763242179.db2.gz OIBKYAYSCARKJW-RDJZCZTQSA-N 1 1 348.491 0.552 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001106921413 763345561 /nfs/dbraw/zinc/34/55/61/763345561.db2.gz GHALGBKUKARFNL-OAHLLOKOSA-N 1 1 346.435 0.718 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001106921413 763345570 /nfs/dbraw/zinc/34/55/70/763345570.db2.gz GHALGBKUKARFNL-OAHLLOKOSA-N 1 1 346.435 0.718 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046927354 763401332 /nfs/dbraw/zinc/40/13/32/763401332.db2.gz YCFWYSHYNNNANW-KBPBESRZSA-N 1 1 331.407 0.967 20 30 ECEDMO C[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046930220 763406498 /nfs/dbraw/zinc/40/64/98/763406498.db2.gz YGANVKKUJNXQIX-JQWIXIFHSA-N 1 1 326.347 0.954 20 30 ECEDMO Cc1cc(NC2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C#N)cn1 ZINC001051944987 763413612 /nfs/dbraw/zinc/41/36/12/763413612.db2.gz YHLBBVZJYIVQFN-NPCAHTBFSA-N 1 1 327.432 0.942 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001046934106 763414815 /nfs/dbraw/zinc/41/48/15/763414815.db2.gz HMGNMDFHWXZEHJ-LLVKDONJSA-N 1 1 325.363 0.713 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001046934106 763414821 /nfs/dbraw/zinc/41/48/21/763414821.db2.gz HMGNMDFHWXZEHJ-LLVKDONJSA-N 1 1 325.363 0.713 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001040925252 763416786 /nfs/dbraw/zinc/41/67/86/763416786.db2.gz UULDQSYXPAJEEN-CRAIPNDOSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001046944203 763432884 /nfs/dbraw/zinc/43/28/84/763432884.db2.gz KPWNTPAZYWXEDJ-LLVKDONJSA-N 1 1 336.346 0.997 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046946270 763436512 /nfs/dbraw/zinc/43/65/12/763436512.db2.gz VCMVRASCEGKNAO-CHWSQXEVSA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046946270 763436513 /nfs/dbraw/zinc/43/65/13/763436513.db2.gz VCMVRASCEGKNAO-CHWSQXEVSA-N 1 1 327.375 0.561 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001046955396 763457747 /nfs/dbraw/zinc/45/77/47/763457747.db2.gz ZMNBVDKCECWXTB-UONOGXRCSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CCc2csc(C)n2)C1 ZINC001030464552 763458858 /nfs/dbraw/zinc/45/88/58/763458858.db2.gz ZBEUVNMMYPLYNR-INIZCTEOSA-N 1 1 332.473 0.892 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCc2csc(C)n2)C1 ZINC001030464552 763458866 /nfs/dbraw/zinc/45/88/66/763458866.db2.gz ZBEUVNMMYPLYNR-INIZCTEOSA-N 1 1 332.473 0.892 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001046956644 763459846 /nfs/dbraw/zinc/45/98/46/763459846.db2.gz BLWILTLPROHDRP-CYBMUJFWSA-N 1 1 348.357 0.835 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001046956644 763459851 /nfs/dbraw/zinc/45/98/51/763459851.db2.gz BLWILTLPROHDRP-CYBMUJFWSA-N 1 1 348.357 0.835 20 30 ECEDMO N#Cc1cncc(NC[C@@H](O)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)n1 ZINC001105994545 763465889 /nfs/dbraw/zinc/46/58/89/763465889.db2.gz BRGUYFUOISXHNP-OLZOCXBDSA-N 1 1 341.375 0.011 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001046960689 763466964 /nfs/dbraw/zinc/46/69/64/763466964.db2.gz BMQYKHPUFLGCEF-CYBMUJFWSA-N 1 1 348.357 0.835 20 30 ECEDMO N#Cc1cnccc1NC[C@H](O)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001105996036 763489453 /nfs/dbraw/zinc/48/94/53/763489453.db2.gz ZAKUXXSTRKRQRB-ZFWWWQNUSA-N 1 1 340.387 0.038 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncc(F)cc2F)C1 ZINC000995100666 763511024 /nfs/dbraw/zinc/51/10/24/763511024.db2.gz MSXLSUYEZYIFCO-AWEZNQCLSA-N 1 1 348.353 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncc(F)cc2F)C1 ZINC000995100666 763511028 /nfs/dbraw/zinc/51/10/28/763511028.db2.gz MSXLSUYEZYIFCO-AWEZNQCLSA-N 1 1 348.353 0.398 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc(C)cn3)C2)CC1 ZINC001051985996 763518661 /nfs/dbraw/zinc/51/86/61/763518661.db2.gz FGQMYBJICSLXEY-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001046994821 763533047 /nfs/dbraw/zinc/53/30/47/763533047.db2.gz HEXWXTXSUIFFTI-HNNXBMFYSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001046994821 763533049 /nfs/dbraw/zinc/53/30/49/763533049.db2.gz HEXWXTXSUIFFTI-HNNXBMFYSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046997078 763539063 /nfs/dbraw/zinc/53/90/63/763539063.db2.gz SVOUMRHODLWZTI-LBPRGKRZSA-N 1 1 338.358 0.491 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3nc[nH]n3)C2)CC1 ZINC001052007136 763572373 /nfs/dbraw/zinc/57/23/73/763572373.db2.gz WNHXFOAZBHQTRS-INIZCTEOSA-N 1 1 346.479 0.922 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(CC)o2)C1 ZINC000995115947 763573646 /nfs/dbraw/zinc/57/36/46/763573646.db2.gz JLSRTFNRDQACKX-HNNXBMFYSA-N 1 1 329.400 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(CC)o2)C1 ZINC000995115947 763573655 /nfs/dbraw/zinc/57/36/55/763573655.db2.gz JLSRTFNRDQACKX-HNNXBMFYSA-N 1 1 329.400 0.880 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(F)cn3)C2)C1=O ZINC001014978951 763600918 /nfs/dbraw/zinc/60/09/18/763600918.db2.gz OHDRPXDKEKTLBQ-CVEARBPZSA-N 1 1 346.406 0.741 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3ccc(F)cn3)C2)C1=O ZINC001014978951 763600920 /nfs/dbraw/zinc/60/09/20/763600920.db2.gz OHDRPXDKEKTLBQ-CVEARBPZSA-N 1 1 346.406 0.741 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)C1 ZINC001106003902 763609079 /nfs/dbraw/zinc/60/90/79/763609079.db2.gz KAAUCURPAVRNSI-CVEARBPZSA-N 1 1 345.447 0.820 20 30 ECEDMO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NC2(C#N)CCN(C)CC2)cn1 ZINC001127702910 763612452 /nfs/dbraw/zinc/61/24/52/763612452.db2.gz MPOLNNLGWBITPN-CVEARBPZSA-N 1 1 344.463 0.560 20 30 ECEDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(C#N)CCN(C)CC2)cn1 ZINC001127702910 763612453 /nfs/dbraw/zinc/61/24/53/763612453.db2.gz MPOLNNLGWBITPN-CVEARBPZSA-N 1 1 344.463 0.560 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030232 763628044 /nfs/dbraw/zinc/62/80/44/763628044.db2.gz KCMOFJLCSDNCPV-DLBZAZTESA-N 1 1 343.475 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 ZINC001047078356 763636266 /nfs/dbraw/zinc/63/62/66/763636266.db2.gz MLPZWBHERXPNDZ-DZKIICNBSA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 ZINC001047078356 763636275 /nfs/dbraw/zinc/63/62/75/763636275.db2.gz MLPZWBHERXPNDZ-DZKIICNBSA-N 1 1 338.415 0.753 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001052035237 763640348 /nfs/dbraw/zinc/64/03/48/763640348.db2.gz FGYQJDAKWLSISG-ROUUACIJSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(OCC)nc3)C2)CC1 ZINC001052035514 763644077 /nfs/dbraw/zinc/64/40/77/763644077.db2.gz KUTNCEQVCDPQJB-QGZVFWFLSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)CC1 ZINC001052040340 763661216 /nfs/dbraw/zinc/66/12/16/763661216.db2.gz CUDWDTUZFNMMIR-HNNXBMFYSA-N 1 1 345.447 0.405 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)CC1 ZINC001052040340 763661219 /nfs/dbraw/zinc/66/12/19/763661219.db2.gz CUDWDTUZFNMMIR-HNNXBMFYSA-N 1 1 345.447 0.405 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C2)CC1 ZINC001052041237 763664924 /nfs/dbraw/zinc/66/49/24/763664924.db2.gz WQAADOBCEVQYRI-AWEZNQCLSA-N 1 1 338.415 0.423 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)CC1 ZINC001052041534 763667829 /nfs/dbraw/zinc/66/78/29/763667829.db2.gz KELGGWBMVYNBDT-ULQDDVLXSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCn4cncc4C3)C2)CC1 ZINC001052043333 763674742 /nfs/dbraw/zinc/67/47/42/763674742.db2.gz VHPFWIWCRYRETR-IAGOWNOFSA-N 1 1 341.459 0.297 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCc4nccn4C3)C2)CC1 ZINC001052044028 763677075 /nfs/dbraw/zinc/67/70/75/763677075.db2.gz BCZGZSUTCVXJHF-IRXDYDNUSA-N 1 1 341.459 0.297 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3CCC(C(N)=O)CC3)C2)CC1 ZINC001052044274 763678991 /nfs/dbraw/zinc/67/89/91/763678991.db2.gz FKBVRZYXAAHCAG-UYSNPLJNSA-N 1 1 347.463 0.020 20 30 ECEDMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001015024552 763692565 /nfs/dbraw/zinc/69/25/65/763692565.db2.gz NMTFPNLFEIWWDT-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001052050633 763707529 /nfs/dbraw/zinc/70/75/29/763707529.db2.gz LMCLKOCPPOFWSP-GXTWGEPZSA-N 1 1 349.460 0.659 20 30 ECEDMO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052052598 763717668 /nfs/dbraw/zinc/71/76/68/763717668.db2.gz QWWYGWIHFGSZTO-QGZVFWFLSA-N 1 1 342.443 0.572 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)CC1 ZINC001052053464 763719131 /nfs/dbraw/zinc/71/91/31/763719131.db2.gz LTJXZNKJUNIPBG-XWTMOSNGSA-N 1 1 331.460 0.653 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)CC1 ZINC001052056261 763727258 /nfs/dbraw/zinc/72/72/58/763727258.db2.gz WGPGSMWZBRUHHQ-GVDBMIGSSA-N 1 1 341.459 0.375 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3csc(=O)[nH]3)C2)CC1 ZINC001052068082 763759970 /nfs/dbraw/zinc/75/99/70/763759970.db2.gz VDXYQFXRMRTPCH-ZDUSSCGKSA-N 1 1 334.445 0.704 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCc4cccnc43)C2)CC1 ZINC001052068631 763763266 /nfs/dbraw/zinc/76/32/66/763763266.db2.gz LLAVPPHXKDELBF-ZWKOTPCHSA-N 1 1 338.455 0.963 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccc(=O)[nH]c3)C2)CC1 ZINC001052070064 763766983 /nfs/dbraw/zinc/76/69/83/763766983.db2.gz CKBCQLIIXBPXKJ-KRWDZBQOSA-N 1 1 342.443 0.572 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3cnn(C)c3)C2)CC1 ZINC001052071754 763773288 /nfs/dbraw/zinc/77/32/88/763773288.db2.gz YTOLMRVIZRVFLT-OAHLLOKOSA-N 1 1 333.436 0.203 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3cnn(C)c3)C2)CC1 ZINC001052071754 763773293 /nfs/dbraw/zinc/77/32/93/763773293.db2.gz YTOLMRVIZRVFLT-OAHLLOKOSA-N 1 1 333.436 0.203 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052081683 763799060 /nfs/dbraw/zinc/79/90/60/763799060.db2.gz FBRFKLBABKZHIZ-GOSISDBHSA-N 1 1 346.519 0.960 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)CC1 ZINC001052084262 763808467 /nfs/dbraw/zinc/80/84/67/763808467.db2.gz UDWKOOCPOTUCJY-ZDUSSCGKSA-N 1 1 331.420 0.132 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)CC1 ZINC001052084262 763808474 /nfs/dbraw/zinc/80/84/74/763808474.db2.gz UDWKOOCPOTUCJY-ZDUSSCGKSA-N 1 1 331.420 0.132 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(C)nc3C)C2)CC1 ZINC001052099402 763857880 /nfs/dbraw/zinc/85/78/80/763857880.db2.gz IKTHWZHAYJONTD-INIZCTEOSA-N 1 1 327.432 0.559 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)nc2)C1 ZINC001106343874 768170385 /nfs/dbraw/zinc/17/03/85/768170385.db2.gz DZFAFALZEPDYTG-XJKSGUPXSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)nc2)C1 ZINC001106343874 768170388 /nfs/dbraw/zinc/17/03/88/768170388.db2.gz DZFAFALZEPDYTG-XJKSGUPXSA-N 1 1 331.420 0.981 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)c3cnn(C)c3)C2)CC1 ZINC001052102246 763866697 /nfs/dbraw/zinc/86/66/97/763866697.db2.gz YNQPWWKWNHJHGA-QGZVFWFLSA-N 1 1 343.475 0.549 20 30 ECEDMO C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052103879 763870944 /nfs/dbraw/zinc/87/09/44/763870944.db2.gz VPWFVCOTGUHTPV-RDJZCZTQSA-N 1 1 344.463 0.341 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052104936 763874692 /nfs/dbraw/zinc/87/46/92/763874692.db2.gz BOVORJCTPSQAHH-INIZCTEOSA-N 1 1 328.420 0.151 20 30 ECEDMO C=C(C)CN1CCN([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052108448 763892059 /nfs/dbraw/zinc/89/20/59/763892059.db2.gz MLKIJKGWCWPSPX-QGZVFWFLSA-N 1 1 332.492 0.877 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212186965 763914564 /nfs/dbraw/zinc/91/45/64/763914564.db2.gz DYWTWTIQNBIZCW-BZUAXINKSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)CC1 ZINC001052116905 763925751 /nfs/dbraw/zinc/92/57/51/763925751.db2.gz AKHANABGRWPZRM-MRXNPFEDSA-N 1 1 330.432 0.686 20 30 ECEDMO CC[C@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)N1CCCC1=O ZINC001052119943 763938034 /nfs/dbraw/zinc/93/80/34/763938034.db2.gz WBWQCNNYQSGGAZ-JKSUJKDBSA-N 1 1 347.463 0.129 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(N(C)C)cn3)C2)CC1 ZINC001052123748 763949644 /nfs/dbraw/zinc/94/96/44/763949644.db2.gz ORNWJQOBZGECKY-KRWDZBQOSA-N 1 1 341.459 0.613 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123900 763951294 /nfs/dbraw/zinc/95/12/94/763951294.db2.gz SUDKNSJOARJCRF-AEFFLSMTSA-N 1 1 343.475 0.765 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cncc(F)c3)C2)CC1 ZINC001052125188 763953157 /nfs/dbraw/zinc/95/31/57/763953157.db2.gz LOFMSUUXOYWAOU-QGZVFWFLSA-N 1 1 345.422 0.895 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001031985096 763985275 /nfs/dbraw/zinc/98/52/75/763985275.db2.gz NIHFIMOFZNNESW-AWEZNQCLSA-N 1 1 331.420 0.475 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(N3CC=CC3)cc2)[C@@H](O)C1 ZINC001083774107 764006269 /nfs/dbraw/zinc/00/62/69/764006269.db2.gz QWARSLICQKTHCX-MSOLQXFVSA-N 1 1 325.412 0.861 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(N3CC=CC3)cc2)[C@@H](O)C1 ZINC001083774107 764006273 /nfs/dbraw/zinc/00/62/73/764006273.db2.gz QWARSLICQKTHCX-MSOLQXFVSA-N 1 1 325.412 0.861 20 30 ECEDMO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047332161 764029473 /nfs/dbraw/zinc/02/94/73/764029473.db2.gz PSLVNOBBWJNKSZ-IRXDYDNUSA-N 1 1 339.399 0.528 20 30 ECEDMO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047332161 764029479 /nfs/dbraw/zinc/02/94/79/764029479.db2.gz PSLVNOBBWJNKSZ-IRXDYDNUSA-N 1 1 339.399 0.528 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001047337037 764043317 /nfs/dbraw/zinc/04/33/17/764043317.db2.gz BQNJWOVOJCZJMT-KBMXLJTQSA-N 1 1 332.404 0.573 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001047338287 764046023 /nfs/dbraw/zinc/04/60/23/764046023.db2.gz UAUYDNRCVMTGRG-JQFCIGGWSA-N 1 1 346.431 0.820 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cccnc2C)C1 ZINC000942154606 764052774 /nfs/dbraw/zinc/05/27/74/764052774.db2.gz RRKLVEGDPRJUPT-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cccnc2C)C1 ZINC000942154606 764052783 /nfs/dbraw/zinc/05/27/83/764052783.db2.gz RRKLVEGDPRJUPT-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccn[nH]3)CC2)C1=O ZINC001052223016 764084817 /nfs/dbraw/zinc/08/48/17/764084817.db2.gz AZLPRSXHNFQUME-UKRRQHHQSA-N 1 1 331.420 0.781 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001047353769 764089913 /nfs/dbraw/zinc/08/99/13/764089913.db2.gz KPJWJOCPVBBCIG-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001047353769 764089923 /nfs/dbraw/zinc/08/99/23/764089923.db2.gz KPJWJOCPVBBCIG-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cn[nH]c3)CC2)C1=O ZINC001052230545 764099956 /nfs/dbraw/zinc/09/99/56/764099956.db2.gz XSMUURKPWXKZSP-HUUCEWRRSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cncnc3CC)C2)nn1 ZINC001098784716 768190901 /nfs/dbraw/zinc/19/09/01/768190901.db2.gz KDCUFCKLDDTDFW-CQSZACIVSA-N 1 1 341.419 0.993 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001047376411 764157906 /nfs/dbraw/zinc/15/79/06/764157906.db2.gz IIJRRMFUCUJGFC-IRXDYDNUSA-N 1 1 341.415 0.556 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OC)n(C)n3)C2)C1=O ZINC001015219683 764176189 /nfs/dbraw/zinc/17/61/89/764176189.db2.gz ZHLLIDWTFJTLJI-JSGCOSHPSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(OC)n(C)n3)C2)C1=O ZINC001015219683 764176192 /nfs/dbraw/zinc/17/61/92/764176192.db2.gz ZHLLIDWTFJTLJI-JSGCOSHPSA-N 1 1 347.419 0.020 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001047383861 764177829 /nfs/dbraw/zinc/17/78/29/764177829.db2.gz KIHQZCTXPBHXOG-OWSLCNJRSA-N 1 1 343.427 0.686 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001047383861 764177835 /nfs/dbraw/zinc/17/78/35/764177835.db2.gz KIHQZCTXPBHXOG-OWSLCNJRSA-N 1 1 343.427 0.686 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCNc1ccnc(C#N)n1 ZINC001106361775 768195712 /nfs/dbraw/zinc/19/57/12/768195712.db2.gz IZEXCMGVSDGKEZ-UONOGXRCSA-N 1 1 330.436 0.951 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001047391230 764194196 /nfs/dbraw/zinc/19/41/96/764194196.db2.gz NHLWTECQQCEGSM-GJZGRUSLSA-N 1 1 330.388 0.828 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001047391230 764194202 /nfs/dbraw/zinc/19/42/02/764194202.db2.gz NHLWTECQQCEGSM-GJZGRUSLSA-N 1 1 330.388 0.828 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289876 764200437 /nfs/dbraw/zinc/20/04/37/764200437.db2.gz GFJIVMFEKNUOEL-OCCSQVGLSA-N 1 1 331.420 0.947 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001047401656 764224784 /nfs/dbraw/zinc/22/47/84/764224784.db2.gz BRMAKWSZEJDUKM-ILXRZTDVSA-N 1 1 337.464 0.713 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001047402816 764230197 /nfs/dbraw/zinc/23/01/97/764230197.db2.gz TYOWOSUNHJJRPY-KKUMJFAQSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncnc3ccsc32)C1 ZINC001047405503 764238237 /nfs/dbraw/zinc/23/82/37/764238237.db2.gz GUMCZWOQGFCNPK-STQMWFEESA-N 1 1 330.413 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNc1ccnc(C#N)n1 ZINC001106985480 764239785 /nfs/dbraw/zinc/23/97/85/764239785.db2.gz QCOHRBWFESTWOE-AWEZNQCLSA-N 1 1 326.404 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNc1ccnc(C#N)n1 ZINC001106985480 764239791 /nfs/dbraw/zinc/23/97/91/764239791.db2.gz QCOHRBWFESTWOE-AWEZNQCLSA-N 1 1 326.404 0.128 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001047406115 764240399 /nfs/dbraw/zinc/24/03/99/764240399.db2.gz NKVSEMYGTWDNTD-KBPBESRZSA-N 1 1 348.447 0.678 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)c[nH]1 ZINC001052319374 764242060 /nfs/dbraw/zinc/24/20/60/764242060.db2.gz YBYKFPFHVZAYBY-UKRRQHHQSA-N 1 1 329.404 0.749 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052319040 764242262 /nfs/dbraw/zinc/24/22/62/764242262.db2.gz QFUFXDJAVKRGGI-OCCSQVGLSA-N 1 1 331.420 0.947 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001047411011 764260216 /nfs/dbraw/zinc/26/02/16/764260216.db2.gz RFVZFJKCHOIBGR-STQMWFEESA-N 1 1 344.337 0.586 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001047412540 764263856 /nfs/dbraw/zinc/26/38/56/764263856.db2.gz XKWUNOVGFWBSPH-NJAFHUGGSA-N 1 1 328.412 0.862 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001047412540 764263864 /nfs/dbraw/zinc/26/38/64/764263864.db2.gz XKWUNOVGFWBSPH-NJAFHUGGSA-N 1 1 328.412 0.862 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001047414162 764270217 /nfs/dbraw/zinc/27/02/17/764270217.db2.gz GCMRRQIKXKPHAC-PMPSAXMXSA-N 1 1 345.447 0.525 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)c2ncn(C)n2)C1 ZINC000995268711 764270568 /nfs/dbraw/zinc/27/05/68/764270568.db2.gz SRFCSYNATQACPK-MRXNPFEDSA-N 1 1 338.415 0.808 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001212188744 764301553 /nfs/dbraw/zinc/30/15/53/764301553.db2.gz AUUPZYZXQABVDS-HZPDHXFCSA-N 1 1 331.416 0.504 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cn(C)nn3)CC2)C1=O ZINC001052358401 764324974 /nfs/dbraw/zinc/32/49/74/764324974.db2.gz HQUBQFTZOZHATH-ZFWWWQNUSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(OC)cccc2OC)C1 ZINC001047443136 764361357 /nfs/dbraw/zinc/36/13/57/764361357.db2.gz ASSFNKMHFIWCFY-GJZGRUSLSA-N 1 1 334.416 0.936 20 30 ECEDMO CN(C[C@@H](O)CNc1ccncc1C#N)C(=O)C[N@@H+](C)C1CCC1 ZINC001124835197 764370375 /nfs/dbraw/zinc/37/03/75/764370375.db2.gz ZWOMLFURWMVCST-HNNXBMFYSA-N 1 1 331.420 0.091 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC1 ZINC001052382657 764376524 /nfs/dbraw/zinc/37/65/24/764376524.db2.gz QZNACMSAAAUOJK-CQSZACIVSA-N 1 1 333.432 0.766 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001047451559 764388114 /nfs/dbraw/zinc/38/81/14/764388114.db2.gz IQGFKYTVPXYOSS-HOTGVXAUSA-N 1 1 329.400 0.874 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001047451559 764388125 /nfs/dbraw/zinc/38/81/25/764388125.db2.gz IQGFKYTVPXYOSS-HOTGVXAUSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCOC3)C1 ZINC001047453635 764395596 /nfs/dbraw/zinc/39/55/96/764395596.db2.gz MIQGGBGXJSGMSS-ROUUACIJSA-N 1 1 328.412 0.900 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001047464773 764421970 /nfs/dbraw/zinc/42/19/70/764421970.db2.gz JFBFUSOMJVYILV-KBPBESRZSA-N 1 1 347.415 0.649 20 30 ECEDMO Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2CCCC[N@H+]2C)c(C#N)cn1 ZINC001124866318 764457387 /nfs/dbraw/zinc/45/73/87/764457387.db2.gz ZUUIJIPAWIWFFL-NVXWUHKLSA-N 1 1 345.447 0.399 20 30 ECEDMO Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2CCCC[N@H+]2C)c(C#N)cn1 ZINC001124866317 764457594 /nfs/dbraw/zinc/45/75/94/764457594.db2.gz ZUUIJIPAWIWFFL-DOTOQJQBSA-N 1 1 345.447 0.399 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001047479581 764465890 /nfs/dbraw/zinc/46/58/90/764465890.db2.gz SNAJJDPGLAFSMF-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2O)cc1 ZINC001047480792 764471078 /nfs/dbraw/zinc/47/10/78/764471078.db2.gz RTEFPNRADXETLJ-JQFCIGGWSA-N 1 1 343.427 0.262 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2O)cc1 ZINC001047480792 764471081 /nfs/dbraw/zinc/47/10/81/764471081.db2.gz RTEFPNRADXETLJ-JQFCIGGWSA-N 1 1 343.427 0.262 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001052428420 764473983 /nfs/dbraw/zinc/47/39/83/764473983.db2.gz IGXWSEAVPMHUMF-OAHLLOKOSA-N 1 1 348.447 0.484 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccccc2C(N)=O)C1 ZINC001047481866 764475487 /nfs/dbraw/zinc/47/54/87/764475487.db2.gz JTRXKYSQGSALOD-HOTGVXAUSA-N 1 1 331.416 0.408 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001052429006 764476631 /nfs/dbraw/zinc/47/66/31/764476631.db2.gz LFHZGNTWVQTRMM-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001077579624 764483758 /nfs/dbraw/zinc/48/37/58/764483758.db2.gz JKFXPXYNYSAKHX-MGPQQGTHSA-N 1 1 331.407 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3coc(COC)n3)C2)C1=O ZINC001032083548 764503902 /nfs/dbraw/zinc/50/39/02/764503902.db2.gz XEYFWRWWJFTNNU-CQSZACIVSA-N 1 1 348.403 0.270 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCOCC2=O)CC1 ZINC001052447122 764515520 /nfs/dbraw/zinc/51/55/20/764515520.db2.gz AUAIUZLZTTYVNA-ZDUSSCGKSA-N 1 1 329.828 0.568 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001047501825 764529670 /nfs/dbraw/zinc/52/96/70/764529670.db2.gz XADJFYOZAUHUNK-COXVUDFISA-N 1 1 332.448 0.605 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H]([NH2+]Cc2nnnn2C)[C@@H](C)C1 ZINC001054745437 768221193 /nfs/dbraw/zinc/22/11/93/768221193.db2.gz IYJFQVLDFCMNRZ-STQMWFEESA-N 1 1 329.408 0.448 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001047525650 764593408 /nfs/dbraw/zinc/59/34/08/764593408.db2.gz XGJFCKDDPPXNJR-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001047525650 764593412 /nfs/dbraw/zinc/59/34/12/764593412.db2.gz XGJFCKDDPPXNJR-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089876556 764607267 /nfs/dbraw/zinc/60/72/67/764607267.db2.gz ULGNMUDJHUORNS-HNKHHVNMSA-N 1 1 343.427 0.231 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047533584 764617591 /nfs/dbraw/zinc/61/75/91/764617591.db2.gz XXVHBUVUVWMZBI-QZWWFDLISA-N 1 1 348.447 0.057 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001089877009 764621997 /nfs/dbraw/zinc/62/19/97/764621997.db2.gz XCDXPHJSNDENDL-TUUVXOQKSA-N 1 1 345.443 0.784 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001032115341 764628758 /nfs/dbraw/zinc/62/87/58/764628758.db2.gz WFMOFQWGAQYJIP-AWEZNQCLSA-N 1 1 344.415 0.539 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnnn1 ZINC001089879835 764635652 /nfs/dbraw/zinc/63/56/52/764635652.db2.gz FNHVRCIKIMBRKR-JONQDZQNSA-N 1 1 330.436 0.808 20 30 ECEDMO CN(C(=O)c1ccnnc1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047541502 764638917 /nfs/dbraw/zinc/63/89/17/764638917.db2.gz AEQHZLUXSPQZCC-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)c1ccnnc1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047541502 764638919 /nfs/dbraw/zinc/63/89/19/764638919.db2.gz AEQHZLUXSPQZCC-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3conc3COC)C2)C1=O ZINC001032120166 764660249 /nfs/dbraw/zinc/66/02/49/764660249.db2.gz OSYKJNDASKIJIY-OAHLLOKOSA-N 1 1 348.403 0.270 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)N(C)C ZINC001099073781 764679264 /nfs/dbraw/zinc/67/92/64/764679264.db2.gz CHSONVBGLXZIFR-HUUCEWRRSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)N(C)C ZINC001099073781 764679271 /nfs/dbraw/zinc/67/92/71/764679271.db2.gz CHSONVBGLXZIFR-HUUCEWRRSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@H](C)F)C[C@@H]2O)nn1 ZINC001047554476 764680626 /nfs/dbraw/zinc/68/06/26/764680626.db2.gz XOWMQTAZYWUKKM-UBHSHLNASA-N 1 1 325.388 0.329 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001047556547 764686981 /nfs/dbraw/zinc/68/69/81/764686981.db2.gz QQMAUYUTKIBLRO-KBPBESRZSA-N 1 1 332.404 0.753 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001015458835 764688405 /nfs/dbraw/zinc/68/84/05/764688405.db2.gz IBGORBALCVDWIA-CQSZACIVSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cncn3C)CC2)C1=O ZINC001052532359 764706726 /nfs/dbraw/zinc/70/67/26/764706726.db2.gz DQOMLONGCSGUDE-GJZGRUSLSA-N 1 1 345.447 0.791 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001047566590 764709956 /nfs/dbraw/zinc/70/99/56/764709956.db2.gz PNDRNQYPJIDOLF-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001047566590 764709961 /nfs/dbraw/zinc/70/99/61/764709961.db2.gz PNDRNQYPJIDOLF-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccccc2NC(C)=O)C1 ZINC001047569547 764720763 /nfs/dbraw/zinc/72/07/63/764720763.db2.gz ZIULPZXKURWWNM-ROUUACIJSA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccccc2NC(C)=O)C1 ZINC001047569547 764720771 /nfs/dbraw/zinc/72/07/71/764720771.db2.gz ZIULPZXKURWWNM-ROUUACIJSA-N 1 1 343.427 0.714 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cncn3)n2)C1 ZINC001047581781 764768580 /nfs/dbraw/zinc/76/85/80/764768580.db2.gz OARJNQFVMWAVSX-GJZGRUSLSA-N 1 1 342.403 0.356 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cn(CC)cn3)C2)C1=O ZINC001032132371 764769463 /nfs/dbraw/zinc/76/94/63/764769463.db2.gz VOJFXXLBVNRMHR-OAHLLOKOSA-N 1 1 331.420 0.352 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC001047591303 764803738 /nfs/dbraw/zinc/80/37/38/764803738.db2.gz VORFBBLMCKSEST-GJZGRUSLSA-N 1 1 342.399 0.821 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)cc1C#N ZINC001015504911 764820199 /nfs/dbraw/zinc/82/01/99/764820199.db2.gz RRZKPXWGZJTZOA-CABCVRRESA-N 1 1 342.399 0.393 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)cc1C#N ZINC001015504911 764820207 /nfs/dbraw/zinc/82/02/07/764820207.db2.gz RRZKPXWGZJTZOA-CABCVRRESA-N 1 1 342.399 0.393 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)CC1 ZINC001052621279 764865527 /nfs/dbraw/zinc/86/55/27/764865527.db2.gz ZNANMHBSPKMLKA-HNNXBMFYSA-N 1 1 330.436 0.936 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cn[nH]c2)C1 ZINC000991946501 764867843 /nfs/dbraw/zinc/86/78/43/764867843.db2.gz RXKJTIFXRFVWHC-ZALBZXLWSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cn[nH]c2)C1 ZINC000991946501 764867853 /nfs/dbraw/zinc/86/78/53/764867853.db2.gz RXKJTIFXRFVWHC-ZALBZXLWSA-N 1 1 329.404 0.132 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001047612956 764881597 /nfs/dbraw/zinc/88/15/97/764881597.db2.gz UJDVHBSRZAUJHK-KBPBESRZSA-N 1 1 329.360 0.034 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001047612956 764881606 /nfs/dbraw/zinc/88/16/06/764881606.db2.gz UJDVHBSRZAUJHK-KBPBESRZSA-N 1 1 329.360 0.034 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001047615155 764888825 /nfs/dbraw/zinc/88/88/25/764888825.db2.gz KTTXMXSZSKBEET-GJZGRUSLSA-N 1 1 332.400 0.383 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001047615155 764888835 /nfs/dbraw/zinc/88/88/35/764888835.db2.gz KTTXMXSZSKBEET-GJZGRUSLSA-N 1 1 332.400 0.383 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3oc2=O)C1 ZINC001047617083 764894587 /nfs/dbraw/zinc/89/45/87/764894587.db2.gz YIWPEIWVZUKFRP-GJZGRUSLSA-N 1 1 326.352 0.543 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3oc2=O)C1 ZINC001047617083 764894594 /nfs/dbraw/zinc/89/45/94/764894594.db2.gz YIWPEIWVZUKFRP-GJZGRUSLSA-N 1 1 326.352 0.543 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)CC1 ZINC001052636567 764906735 /nfs/dbraw/zinc/90/67/35/764906735.db2.gz TVWZTFMMVBUUAG-SNVBAGLBSA-N 1 1 343.229 0.703 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)CC1 ZINC001052636567 764906740 /nfs/dbraw/zinc/90/67/40/764906740.db2.gz TVWZTFMMVBUUAG-SNVBAGLBSA-N 1 1 343.229 0.703 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3cnoc3)CC2)C1=O ZINC001052650440 764933821 /nfs/dbraw/zinc/93/38/21/764933821.db2.gz FEDOVERXVZIMRZ-HOTGVXAUSA-N 1 1 346.431 0.975 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC001052699840 765005806 /nfs/dbraw/zinc/00/58/06/765005806.db2.gz CTHYISCLPWKGJN-LLVKDONJSA-N 1 1 341.437 0.218 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000991978090 765034756 /nfs/dbraw/zinc/03/47/56/765034756.db2.gz UMKSECYRUVALLG-XHSDSOJGSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCS(C)(=O)=O)CC1 ZINC001052721471 765042501 /nfs/dbraw/zinc/04/25/01/765042501.db2.gz DERNJZVCIRGHQB-ZNMIVQPWSA-N 1 1 344.477 0.593 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCS(C)(=O)=O)CC1 ZINC001052721471 765042507 /nfs/dbraw/zinc/04/25/07/765042507.db2.gz DERNJZVCIRGHQB-ZNMIVQPWSA-N 1 1 344.477 0.593 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnn(C)n3)CC2)C1=O ZINC001052792119 765130607 /nfs/dbraw/zinc/13/06/07/765130607.db2.gz LHTXMMXIRNJKRG-DZGCQCFKSA-N 1 1 346.435 0.186 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)[nH]1 ZINC000992013636 765159225 /nfs/dbraw/zinc/15/92/25/765159225.db2.gz WUCCDPZZCKEWII-ZBFHGGJFSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ncc[nH]3)CC2)C1=O ZINC001052823721 765184430 /nfs/dbraw/zinc/18/44/30/765184430.db2.gz MPYCPGUUHWIOCJ-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001052832278 765197480 /nfs/dbraw/zinc/19/74/80/765197480.db2.gz WBIWQAOWNIAQHT-CVEARBPZSA-N 1 1 345.447 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC001052849364 765223646 /nfs/dbraw/zinc/22/36/46/765223646.db2.gz SRUJRXZIWJKHFC-HNNXBMFYSA-N 1 1 347.463 0.928 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000992046214 765275056 /nfs/dbraw/zinc/27/50/56/765275056.db2.gz IKIGMRFLXACICI-DNOWBOINSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C)n2)C1 ZINC001089126880 765332480 /nfs/dbraw/zinc/33/24/80/765332480.db2.gz KSBVZMPNZAESMF-HIFRSBDPSA-N 1 1 343.431 0.706 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001052921818 765351689 /nfs/dbraw/zinc/35/16/89/765351689.db2.gz IMZDRMDWBAKWLZ-MGPQQGTHSA-N 1 1 328.420 0.488 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCO[C@H]3CC3(F)F)C2)nn1 ZINC001015809406 765366777 /nfs/dbraw/zinc/36/67/77/765366777.db2.gz AEWPXWLLQVTFTQ-AAEUAGOBSA-N 1 1 341.362 0.692 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCO[C@H]3CC3(F)F)C2)nn1 ZINC001015809406 765366787 /nfs/dbraw/zinc/36/67/87/765366787.db2.gz AEWPXWLLQVTFTQ-AAEUAGOBSA-N 1 1 341.362 0.692 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)nn1 ZINC001015809421 765366825 /nfs/dbraw/zinc/36/68/25/765366825.db2.gz AKBSQRJBBOREAO-OLZOCXBDSA-N 1 1 342.407 0.047 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001015819186 765380102 /nfs/dbraw/zinc/38/01/02/765380102.db2.gz BCZJTVFQGFEJGT-HNNXBMFYSA-N 1 1 343.435 0.900 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001015819186 765380111 /nfs/dbraw/zinc/38/01/11/765380111.db2.gz BCZJTVFQGFEJGT-HNNXBMFYSA-N 1 1 343.435 0.900 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)C2)nn1 ZINC001015820607 765383620 /nfs/dbraw/zinc/38/36/20/765383620.db2.gz JFKSYQLTJMAEQW-AWEZNQCLSA-N 1 1 343.435 0.635 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3nonc3C)CC2)C1=O ZINC001052973904 765439812 /nfs/dbraw/zinc/43/98/12/765439812.db2.gz FWGNFJKBPAGOEF-KGLIPLIRSA-N 1 1 347.419 0.749 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CNC(=O)C#CC1CC1 ZINC001052982969 765456270 /nfs/dbraw/zinc/45/62/70/765456270.db2.gz ZEJBKFNERXYMQB-RDJZCZTQSA-N 1 1 347.459 0.333 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CSCC#N)C1 ZINC001052986273 765462084 /nfs/dbraw/zinc/46/20/84/765462084.db2.gz FKLMKZMIYMFQAI-OCCSQVGLSA-N 1 1 349.460 0.659 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN([C@@H](C)C(N)=O)CC1 ZINC001052987590 765464019 /nfs/dbraw/zinc/46/40/19/765464019.db2.gz OZISAAHUFUYOJE-CLWVCHIJSA-N 1 1 347.463 0.159 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001053029391 765501319 /nfs/dbraw/zinc/50/13/19/765501319.db2.gz RBCISHGRTWCWIU-IRXDYDNUSA-N 1 1 349.475 0.982 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001053044626 765522563 /nfs/dbraw/zinc/52/25/63/765522563.db2.gz QUNHOHQCQBJCLN-LSDHHAIUSA-N 1 1 345.443 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001053084812 765561717 /nfs/dbraw/zinc/56/17/17/765561717.db2.gz XCMRIXYGEQPWRT-GDBMZVCRSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001053084812 765561726 /nfs/dbraw/zinc/56/17/26/765561726.db2.gz XCMRIXYGEQPWRT-GDBMZVCRSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(OC)nn3)C2)C1=O ZINC001015945808 765593157 /nfs/dbraw/zinc/59/31/57/765593157.db2.gz MSVGCKGPCDSLFY-OCCSQVGLSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(OC)nn3)C2)C1=O ZINC001015945808 765593163 /nfs/dbraw/zinc/59/31/63/765593163.db2.gz MSVGCKGPCDSLFY-OCCSQVGLSA-N 1 1 345.403 0.076 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)CSCC#N)C1 ZINC001053115658 765602178 /nfs/dbraw/zinc/60/21/78/765602178.db2.gz QWLJJSJMFYAPRI-KBPBESRZSA-N 1 1 340.493 0.796 20 30 ECEDMO C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)c1c[nH]c(C#N)c1 ZINC001077496701 765677610 /nfs/dbraw/zinc/67/76/10/765677610.db2.gz FLSTZKVATOAOLZ-QWHCGFSZSA-N 1 1 331.420 0.853 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)[C@@H](O)C1 ZINC001083729609 768316825 /nfs/dbraw/zinc/31/68/25/768316825.db2.gz MLVNDDUUGSBCTM-XQQFMLRXSA-N 1 1 335.370 0.608 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1CCN1CCNC1=O ZINC000993173095 768316890 /nfs/dbraw/zinc/31/68/90/768316890.db2.gz TWSLCHKJEQRNKA-JSGCOSHPSA-N 1 1 344.419 0.494 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNc2ncc(C#N)cc2F)C1 ZINC001106104760 765754130 /nfs/dbraw/zinc/75/41/30/765754130.db2.gz PJHKSIGRHHWUDO-YPMHNXCESA-N 1 1 335.383 0.323 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993172452 768318579 /nfs/dbraw/zinc/31/85/79/768318579.db2.gz RQIJPFTWPPHBAI-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993172452 768318583 /nfs/dbraw/zinc/31/85/83/768318583.db2.gz RQIJPFTWPPHBAI-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCOC3(C[NH+](CC4CCOCC4)C3)C2)[nH]1 ZINC001053216760 765776837 /nfs/dbraw/zinc/77/68/37/765776837.db2.gz OZMCIRYFSOCZIQ-UHFFFAOYSA-N 1 1 344.415 0.840 20 30 ECEDMO N#Cc1cc(C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCOC4)C3)C2)c[nH]1 ZINC001053226958 765793783 /nfs/dbraw/zinc/79/37/83/765793783.db2.gz FRLYNVXWADWLIJ-CQSZACIVSA-N 1 1 344.415 0.840 20 30 ECEDMO C=C(C)CCN1CC2(C1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263261 765864256 /nfs/dbraw/zinc/86/42/56/765864256.db2.gz JSWIXAHKHUZBGH-DLBZAZTESA-N 1 1 349.475 0.729 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)C[C@H](C)n1cc[nH+]c1CC)CCO2 ZINC001053263738 765865451 /nfs/dbraw/zinc/86/54/51/765865451.db2.gz XAVVMLNZEHYOEB-HNNXBMFYSA-N 1 1 330.432 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cncnc2)C1 ZINC000992204971 765888439 /nfs/dbraw/zinc/88/84/39/765888439.db2.gz AMISTTZCMDWQHQ-BCLQGDPASA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cncnc2)C1 ZINC000992204971 765888449 /nfs/dbraw/zinc/88/84/49/765888449.db2.gz AMISTTZCMDWQHQ-BCLQGDPASA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2n[nH]cc2C)C1 ZINC000992206322 765891329 /nfs/dbraw/zinc/89/13/29/765891329.db2.gz IIELZOVEBJDXFD-NRXISQOPSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2n[nH]cc2C)C1 ZINC000992206322 765891334 /nfs/dbraw/zinc/89/13/34/765891334.db2.gz IIELZOVEBJDXFD-NRXISQOPSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2c[nH]cn2)C1 ZINC000992209648 765912364 /nfs/dbraw/zinc/91/23/64/765912364.db2.gz YGLLKRDVKKKHJX-XUJLQICISA-N 1 1 343.431 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2c[nH]cn2)C1 ZINC000992209648 765912367 /nfs/dbraw/zinc/91/23/67/765912367.db2.gz YGLLKRDVKKKHJX-XUJLQICISA-N 1 1 343.431 0.061 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCN(C)C1=O)CCO2 ZINC001053298168 765928968 /nfs/dbraw/zinc/92/89/68/765928968.db2.gz JDEKBGHIBCIHFO-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cc(C(N)=O)cn1C)CCO2 ZINC001053328767 765982420 /nfs/dbraw/zinc/98/24/20/765982420.db2.gz GXHYLXDHLWOOPD-UHFFFAOYSA-N 1 1 346.431 0.617 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CCO2 ZINC001053393391 766074734 /nfs/dbraw/zinc/07/47/34/766074734.db2.gz LHJIQFWSUHNRPD-OAHLLOKOSA-N 1 1 330.432 0.853 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H](C)[C@@H]1CCC(=O)N1)CCO2 ZINC001053442290 766139047 /nfs/dbraw/zinc/13/90/47/766139047.db2.gz IHWNVGOQAUEZSC-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nnnc3C(C)C)CCC[C@H]12 ZINC000992307361 766226883 /nfs/dbraw/zinc/22/68/83/766226883.db2.gz RMTXNBIRYYUQIQ-YOEHRIQHSA-N 1 1 330.436 0.933 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001016406964 766243712 /nfs/dbraw/zinc/24/37/12/766243712.db2.gz TVKARSOJHSTTRQ-SSDMNJCBSA-N 1 1 329.404 0.700 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2-n2cccn2)[C@@H](O)C1 ZINC001083688784 766259727 /nfs/dbraw/zinc/25/97/27/766259727.db2.gz JYWBXUWQKDPYFN-CABCVRRESA-N 1 1 325.372 0.066 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2-n2cccn2)[C@@H](O)C1 ZINC001083688784 766259733 /nfs/dbraw/zinc/25/97/33/766259733.db2.gz JYWBXUWQKDPYFN-CABCVRRESA-N 1 1 325.372 0.066 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106127337 766292678 /nfs/dbraw/zinc/29/26/78/766292678.db2.gz YFPSLFLOVANJLB-AWEZNQCLSA-N 1 1 342.403 0.862 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)nn1 ZINC000992329695 766296234 /nfs/dbraw/zinc/29/62/34/766296234.db2.gz XBQJHHYWGQYMOJ-CZUORRHYSA-N 1 1 332.408 0.066 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)nn1 ZINC000992329695 766296240 /nfs/dbraw/zinc/29/62/40/766296240.db2.gz XBQJHHYWGQYMOJ-CZUORRHYSA-N 1 1 332.408 0.066 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccncn2)C1 ZINC000992333388 766311531 /nfs/dbraw/zinc/31/15/31/766311531.db2.gz IFEDOAJUAAYKDZ-XUJLQICISA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccncn2)C1 ZINC000992333388 766311540 /nfs/dbraw/zinc/31/15/40/766311540.db2.gz IFEDOAJUAAYKDZ-XUJLQICISA-N 1 1 341.415 0.199 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2O)cc1 ZINC001083690747 766352040 /nfs/dbraw/zinc/35/20/40/766352040.db2.gz IWABKRFRAVSEJW-JQHSSLGASA-N 1 1 328.412 0.869 20 30 ECEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#N ZINC001045791892 766376444 /nfs/dbraw/zinc/37/64/44/766376444.db2.gz QYZSVCHGJRQNST-PMPSAXMXSA-N 1 1 330.436 0.402 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3nn(C)cc3C)C2)C1=O ZINC001031664298 766385278 /nfs/dbraw/zinc/38/52/78/766385278.db2.gz PICOJTHXVNREFG-CQSZACIVSA-N 1 1 331.420 0.177 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3n1CCC3)O2 ZINC001053609790 766428331 /nfs/dbraw/zinc/42/83/31/766428331.db2.gz DXZCKZXAHJQTHS-AWEZNQCLSA-N 1 1 328.416 0.816 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC1 ZINC001045850077 766433090 /nfs/dbraw/zinc/43/30/90/766433090.db2.gz OUEBEMNTHJBPAJ-TWMKSMIVSA-N 1 1 347.459 0.875 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC001031678940 766439511 /nfs/dbraw/zinc/43/95/11/766439511.db2.gz ZTGXJTUTPQWNET-WQVCFCJDSA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)NC)nn1 ZINC001045861228 766440258 /nfs/dbraw/zinc/44/02/58/766440258.db2.gz KHQUVEMPYXUINK-MJBXVCDLSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)NC)nn1 ZINC001045861228 766440262 /nfs/dbraw/zinc/44/02/62/766440262.db2.gz KHQUVEMPYXUINK-MJBXVCDLSA-N 1 1 346.435 0.278 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001031678477 766442080 /nfs/dbraw/zinc/44/20/80/766442080.db2.gz MIJALCOWQWAMDM-CVEARBPZSA-N 1 1 335.448 0.638 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000992381776 766443519 /nfs/dbraw/zinc/44/35/19/766443519.db2.gz LCPGMIOVBWXZOK-ISXOHVOVSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3nccn3C1)O2 ZINC001053618639 766446603 /nfs/dbraw/zinc/44/66/03/766446603.db2.gz BVKLSJJKVRYVJT-CVEARBPZSA-N 1 1 342.443 0.818 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)cn1 ZINC001045880326 766462550 /nfs/dbraw/zinc/46/25/50/766462550.db2.gz QYMVDVVDZYGPGW-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC)cn1 ZINC001045880326 766462554 /nfs/dbraw/zinc/46/25/54/766462554.db2.gz QYMVDVVDZYGPGW-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(OC)n(C)n1)O2 ZINC001053626516 766468879 /nfs/dbraw/zinc/46/88/79/766468879.db2.gz XVXSHYUYJTZMMJ-CYBMUJFWSA-N 1 1 332.404 0.415 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)N1C(=O)CCC1=O)C2 ZINC001045942112 766512632 /nfs/dbraw/zinc/51/26/32/766512632.db2.gz RNYQKXAGCRWUHM-BEFAXECRSA-N 1 1 345.443 0.862 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001045943702 766514128 /nfs/dbraw/zinc/51/41/28/766514128.db2.gz MXIMBDQHKAVKIQ-KBXCAEBGSA-N 1 1 346.431 0.312 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CCC3(CN(CC#N)C3)O1)CC2 ZINC001053654083 766519572 /nfs/dbraw/zinc/51/95/72/766519572.db2.gz FGHQJUNUPSCPEB-GOEBONIOSA-N 1 1 343.431 0.627 20 30 ECEDMO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)O2 ZINC001053654609 766520325 /nfs/dbraw/zinc/52/03/25/766520325.db2.gz RBSZZWGUZNIRKL-RDJZCZTQSA-N 1 1 342.443 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccns2)C1 ZINC001016591240 766552890 /nfs/dbraw/zinc/55/28/90/766552890.db2.gz IOCINJLIVAWDQL-RUXDESIVSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccns2)C1 ZINC001016591240 766552896 /nfs/dbraw/zinc/55/28/96/766552896.db2.gz IOCINJLIVAWDQL-RUXDESIVSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3nncn3c1)O2 ZINC001053676324 766559327 /nfs/dbraw/zinc/55/93/27/766559327.db2.gz ZOENCFSHWTWOBS-HNNXBMFYSA-N 1 1 339.399 0.716 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212255630 766559783 /nfs/dbraw/zinc/55/97/83/766559783.db2.gz OBDLSJLTZDJVED-ZTFGCOKTSA-N 1 1 341.411 0.912 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212255630 766559787 /nfs/dbraw/zinc/55/97/87/766559787.db2.gz OBDLSJLTZDJVED-ZTFGCOKTSA-N 1 1 341.411 0.912 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC3(C[NH+](C[C@H](C)O)C3)O2)nn1 ZINC001053677005 766560271 /nfs/dbraw/zinc/56/02/71/766560271.db2.gz OTYSZUYWMWWKMM-KBPBESRZSA-N 1 1 349.435 0.198 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCCN1C(N)=O)O2 ZINC001053687541 766590750 /nfs/dbraw/zinc/59/07/50/766590750.db2.gz TYBQZRTXPZYPKE-CABCVRRESA-N 1 1 348.447 0.293 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1conc1COC)O2 ZINC001053687817 766591963 /nfs/dbraw/zinc/59/19/63/766591963.db2.gz ZTOIVFBJHRFWRY-ZDUSSCGKSA-N 1 1 333.388 0.808 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(C)nnc3C)C2)C1=O ZINC001031699822 766598704 /nfs/dbraw/zinc/59/87/04/766598704.db2.gz YDTSXGRGLOOEIN-INIZCTEOSA-N 1 1 343.431 0.542 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCn3cncn3)CC2)C1 ZINC001046001684 766603254 /nfs/dbraw/zinc/60/32/54/766603254.db2.gz FINBOXPESPLGHS-INIZCTEOSA-N 1 1 332.452 0.463 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)O2 ZINC001053694336 766603455 /nfs/dbraw/zinc/60/34/55/766603455.db2.gz POCNYMNFYDWRHR-LSDHHAIUSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3snnc3C)CC2)C1 ZINC001046003226 766607179 /nfs/dbraw/zinc/60/71/79/766607179.db2.gz ZCSLWHJDCXUKOU-CQSZACIVSA-N 1 1 333.461 0.702 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3n[nH]nc3c1)O2 ZINC001053695816 766607315 /nfs/dbraw/zinc/60/73/15/766607315.db2.gz SCVAWFUJRXANPA-AWEZNQCLSA-N 1 1 339.399 0.944 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)O2 ZINC001053700524 766620019 /nfs/dbraw/zinc/62/00/19/766620019.db2.gz WUQSYHONWGKNBD-CVEARBPZSA-N 1 1 335.448 0.080 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700524 766620021 /nfs/dbraw/zinc/62/00/21/766620021.db2.gz WUQSYHONWGKNBD-CVEARBPZSA-N 1 1 335.448 0.080 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@H]12 ZINC000992463576 766635008 /nfs/dbraw/zinc/63/50/08/766635008.db2.gz JXPYPPDHXNOBLJ-GUYCJALGSA-N 1 1 332.404 0.017 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001046011282 766636117 /nfs/dbraw/zinc/63/61/17/766636117.db2.gz BHFBBIHWLRKEMX-HOCLYGCPSA-N 1 1 330.436 0.298 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)n(C)n3)CC2)C1 ZINC001046012619 766640437 /nfs/dbraw/zinc/64/04/37/766640437.db2.gz RGNJGGZXLCZQCC-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 ZINC000992475086 766664329 /nfs/dbraw/zinc/66/43/29/766664329.db2.gz MWAXETDFAQNYBR-ABAIWWIYSA-N 1 1 340.811 0.404 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 ZINC000992475086 766664336 /nfs/dbraw/zinc/66/43/36/766664336.db2.gz MWAXETDFAQNYBR-ABAIWWIYSA-N 1 1 340.811 0.404 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@](C)(O)C3CC3)CC2)C1 ZINC001046021228 766665721 /nfs/dbraw/zinc/66/57/21/766665721.db2.gz DEGXWYLGAHDSSW-MJGOQNOKSA-N 1 1 333.476 0.779 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnn3CC)CC2)C1 ZINC001046021985 766667287 /nfs/dbraw/zinc/66/72/87/766667287.db2.gz IULYTPJEFIRFJC-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1OC ZINC001212262147 766671413 /nfs/dbraw/zinc/67/14/13/766671413.db2.gz DPVZKKSKNXFNFJ-BRWVUGGUSA-N 1 1 338.448 0.801 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 ZINC001046023475 766672107 /nfs/dbraw/zinc/67/21/07/766672107.db2.gz NXHRNVWNAAZDAS-CVEARBPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC2CC(OCC)C2)C[C@H]1OC ZINC001212262245 766677450 /nfs/dbraw/zinc/67/74/50/766677450.db2.gz IPPJZLPRXCFEBP-BHUNQDJPSA-N 1 1 338.448 0.657 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 ZINC001046027248 766685563 /nfs/dbraw/zinc/68/55/63/766685563.db2.gz LGXKVPQBYRQKAM-SJORKVTESA-N 1 1 337.464 0.587 20 30 ECEDMO Cn1nccc1C[N@H+]1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046027146 766686074 /nfs/dbraw/zinc/68/60/74/766686074.db2.gz IMKCBKHVOLUDTL-GOSISDBHSA-N 1 1 341.459 0.552 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)cn1 ZINC001046027497 766686898 /nfs/dbraw/zinc/68/68/98/766686898.db2.gz NVLGCUCEWIOUOP-SFHVURJKSA-N 1 1 341.459 0.552 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1OC ZINC001212262471 766688536 /nfs/dbraw/zinc/68/85/36/766688536.db2.gz PEFGYZQKMWKDDR-IAGOWNOFSA-N 1 1 338.448 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccnc(C)c2)C1 ZINC000994750298 766695115 /nfs/dbraw/zinc/69/51/15/766695115.db2.gz HOKBVGNIYNIWPH-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccnc(C)c2)C1 ZINC000994750298 766695122 /nfs/dbraw/zinc/69/51/22/766695122.db2.gz HOKBVGNIYNIWPH-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)CC2)C1 ZINC001046029942 766695177 /nfs/dbraw/zinc/69/51/77/766695177.db2.gz GJMVBSZJLFXDBI-IAGOWNOFSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4c[nH]nc43)CC2)C1 ZINC001046029942 766695181 /nfs/dbraw/zinc/69/51/81/766695181.db2.gz GJMVBSZJLFXDBI-IAGOWNOFSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4c[nH]nc43)CC2)C1 ZINC001046029942 766695213 /nfs/dbraw/zinc/69/52/13/766695213.db2.gz GJMVBSZJLFXDBI-IAGOWNOFSA-N 1 1 341.459 0.681 20 30 ECEDMO CCN(c1ncccc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089625168 766696141 /nfs/dbraw/zinc/69/61/41/766696141.db2.gz MUQVNKVIOCNSPT-UKRRQHHQSA-N 1 1 331.420 0.615 20 30 ECEDMO CCN(c1ncccc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089625168 766696145 /nfs/dbraw/zinc/69/61/45/766696145.db2.gz MUQVNKVIOCNSPT-UKRRQHHQSA-N 1 1 331.420 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccn(C)n2)C1 ZINC001016670366 766698854 /nfs/dbraw/zinc/69/88/54/766698854.db2.gz LYOJFMQHZHYAED-XUJLQICISA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccn(C)n2)C1 ZINC001016670366 766698857 /nfs/dbraw/zinc/69/88/57/766698857.db2.gz LYOJFMQHZHYAED-XUJLQICISA-N 1 1 343.431 0.237 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)c3ccnn3C)CC2)C1 ZINC001046031716 766702334 /nfs/dbraw/zinc/70/23/34/766702334.db2.gz UNKQRYOZRYYALM-IAGOWNOFSA-N 1 1 343.475 0.765 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn(C(F)F)n3)CC2)C1 ZINC001046032792 766706540 /nfs/dbraw/zinc/70/65/40/766706540.db2.gz NBIAWYBZTUOMEZ-CYBMUJFWSA-N 1 1 337.374 0.744 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033434 766708881 /nfs/dbraw/zinc/70/88/81/766708881.db2.gz FSMWKBQRQIHURH-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc4n[nH]nc43)CC2)C1 ZINC001046033692 766710042 /nfs/dbraw/zinc/71/00/42/766710042.db2.gz YXSPURNKVQNGCO-CQSZACIVSA-N 1 1 338.415 0.423 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nn(C)cc3Cl)CC2)C1 ZINC001046034903 766715768 /nfs/dbraw/zinc/71/57/68/766715768.db2.gz YMMXEXCITLHQKB-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnc(Cl)n2C)C1 ZINC000994755387 766719202 /nfs/dbraw/zinc/71/92/02/766719202.db2.gz RMUVZDNTIGSYJM-LBPRGKRZSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnc(Cl)n2C)C1 ZINC000994755387 766719207 /nfs/dbraw/zinc/71/92/07/766719207.db2.gz RMUVZDNTIGSYJM-LBPRGKRZSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nnn3CC)CC2)C1 ZINC001046035586 766721251 /nfs/dbraw/zinc/72/12/51/766721251.db2.gz QBISLKNLDRJKCB-INIZCTEOSA-N 1 1 344.463 0.462 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C3CC3)CCC2)C1 ZINC000994756270 766725588 /nfs/dbraw/zinc/72/55/88/766725588.db2.gz WIVOSVFHABAIMC-INIZCTEOSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C3CC3)CCC2)C1 ZINC000994756270 766725597 /nfs/dbraw/zinc/72/55/97/766725597.db2.gz WIVOSVFHABAIMC-INIZCTEOSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1 ZINC001046036205 766725960 /nfs/dbraw/zinc/72/59/60/766725960.db2.gz COQQIQFVSREDFF-BZUAXINKSA-N 1 1 327.432 0.365 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046036205 766725966 /nfs/dbraw/zinc/72/59/66/766725966.db2.gz COQQIQFVSREDFF-BZUAXINKSA-N 1 1 327.432 0.365 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046036205 766725970 /nfs/dbraw/zinc/72/59/70/766725970.db2.gz COQQIQFVSREDFF-BZUAXINKSA-N 1 1 327.432 0.365 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2snnc2CC)C1 ZINC000994756358 766726358 /nfs/dbraw/zinc/72/63/58/766726358.db2.gz WVLYMYSRVCKRIN-ZDUSSCGKSA-N 1 1 347.444 0.139 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2snnc2CC)C1 ZINC000994756358 766726361 /nfs/dbraw/zinc/72/63/61/766726361.db2.gz WVLYMYSRVCKRIN-ZDUSSCGKSA-N 1 1 347.444 0.139 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC001046036716 766728314 /nfs/dbraw/zinc/72/83/14/766728314.db2.gz NZCVCHRLRBTXCL-LPHOPBHVSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)C1 ZINC001046038167 766738322 /nfs/dbraw/zinc/73/83/22/766738322.db2.gz BOFOHGFEAFTNBE-CQSZACIVSA-N 1 1 338.415 0.423 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC001046040746 766749303 /nfs/dbraw/zinc/74/93/03/766749303.db2.gz IDXNXFRCYNGSGR-INIZCTEOSA-N 1 1 334.464 0.403 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2N(CC(=O)NC)CC3)CC1 ZINC000992513506 766752832 /nfs/dbraw/zinc/75/28/32/766752832.db2.gz VVMRNEDXQGXNIY-VQIMIIECSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C(N)=O)cn3)CCC[C@H]12 ZINC000992520362 766765130 /nfs/dbraw/zinc/76/51/30/766765130.db2.gz GYEZCGAZSMEMBI-YJBOKZPZSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OCC)no3)CC2)C1 ZINC001046044882 766768651 /nfs/dbraw/zinc/76/86/51/766768651.db2.gz SQVMSJNJZGFRJZ-HNNXBMFYSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC001046046090 766773807 /nfs/dbraw/zinc/77/38/07/766773807.db2.gz VXGWRKQEXDPEKB-AEFFLSMTSA-N 1 1 343.475 0.765 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3coc(OC)n3)CC2)C1 ZINC001046048165 766779844 /nfs/dbraw/zinc/77/98/44/766779844.db2.gz RMRGGFNDOCKMFB-AWEZNQCLSA-N 1 1 332.404 0.539 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3nc(C)no3)CC2)C1 ZINC001046049232 766783112 /nfs/dbraw/zinc/78/31/12/766783112.db2.gz LLDSXIFGPGJWOP-MRXNPFEDSA-N 1 1 345.447 0.552 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046050139 766785669 /nfs/dbraw/zinc/78/56/69/766785669.db2.gz FTJAPSZZFXRKPI-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)cc1 ZINC001046050208 766785892 /nfs/dbraw/zinc/78/58/92/766785892.db2.gz HHRVJXOZMVYISV-IBGZPJMESA-N 1 1 341.455 0.882 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccccn3)CC2)C1 ZINC001046050382 766787333 /nfs/dbraw/zinc/78/73/33/766787333.db2.gz LDRMUDLWKJYCKY-GOSISDBHSA-N 1 1 326.444 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccnc3OC)CC2)C1 ZINC001046056504 766810599 /nfs/dbraw/zinc/81/05/99/766810599.db2.gz FVUHIDGFAZDDNX-OAHLLOKOSA-N 1 1 328.416 0.556 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC001046058380 766818344 /nfs/dbraw/zinc/81/83/44/766818344.db2.gz JEQDWYIXZQPKPH-INIZCTEOSA-N 1 1 345.447 0.041 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001046062086 766831800 /nfs/dbraw/zinc/83/18/00/766831800.db2.gz AYOIBBGHEBCBTO-IKGGRYGDSA-N 1 1 348.491 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H](C)OC)CC1 ZINC001060753254 766851727 /nfs/dbraw/zinc/85/17/27/766851727.db2.gz DSTXYWDGXJVVFN-VQHPVUNQSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H](C)OC)CC1 ZINC001060753254 766851734 /nfs/dbraw/zinc/85/17/34/766851734.db2.gz DSTXYWDGXJVVFN-VQHPVUNQSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1 ZINC001046066159 766854077 /nfs/dbraw/zinc/85/40/77/766854077.db2.gz ZGTHTKRDHUPRAB-KSZLIROESA-N 1 1 331.460 0.819 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)C1 ZINC001046067832 766860677 /nfs/dbraw/zinc/86/06/77/766860677.db2.gz VZPDILUYQRLINT-MRXNPFEDSA-N 1 1 342.443 0.951 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@@H]3CC[N@H+](CC(=C)C)C3)CC2)nn1 ZINC001046068684 766865158 /nfs/dbraw/zinc/86/51/58/766865158.db2.gz QNJUHFCXNBSJLQ-MRXNPFEDSA-N 1 1 344.463 0.872 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccc(C)cc3=O)CC2)C1 ZINC001046069392 766868126 /nfs/dbraw/zinc/86/81/26/766868126.db2.gz FRVHEYIBRAAHHQ-QGZVFWFLSA-N 1 1 344.459 0.561 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc4nncn4c3)CC2)C1 ZINC001046069824 766869292 /nfs/dbraw/zinc/86/92/92/766869292.db2.gz LMCYVWOYAJUWKF-INIZCTEOSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3conc3COC)CC2)C1 ZINC001046074518 766891695 /nfs/dbraw/zinc/89/16/95/766891695.db2.gz ATRVAAPHABIWGY-AWEZNQCLSA-N 1 1 332.404 0.286 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H](C)n3cccn3)CC2)C1 ZINC001046075417 766895107 /nfs/dbraw/zinc/89/51/07/766895107.db2.gz SJQYQZRZABIKNQ-SJORKVTESA-N 1 1 329.448 0.686 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nonc3C)CC2)C1 ZINC001046075425 766895332 /nfs/dbraw/zinc/89/53/32/766895332.db2.gz SOQSYKDXKWMGQN-OAHLLOKOSA-N 1 1 333.436 0.715 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C(C)C)nn3)CC2)C1 ZINC001046075483 766898324 /nfs/dbraw/zinc/89/83/24/766898324.db2.gz URKJLEOIMXYPDK-OAHLLOKOSA-N 1 1 332.452 0.877 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCCN(C)C3=O)CC2)C1 ZINC001046075912 766898520 /nfs/dbraw/zinc/89/85/20/766898520.db2.gz IDQDWDVRCVUULS-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)C1 ZINC001046075794 766898708 /nfs/dbraw/zinc/89/87/08/766898708.db2.gz FAVABAFQUOPMNQ-OAHLLOKOSA-N 1 1 329.448 0.539 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](CCOC)C3)CC2)cn1 ZINC001046076711 766905383 /nfs/dbraw/zinc/90/53/83/766905383.db2.gz PBIWWVYZMFIPSE-SFHVURJKSA-N 1 1 342.443 0.541 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC001046077323 766907236 /nfs/dbraw/zinc/90/72/36/766907236.db2.gz MLGXYLPGMYPMPO-HKUYNNGSSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCN([C@H]2CC[N@H+](CC)C2)CC1 ZINC001046078811 766911911 /nfs/dbraw/zinc/91/19/11/766911911.db2.gz PUBKHPGNVLZAJL-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC001046081018 766917812 /nfs/dbraw/zinc/91/78/12/766917812.db2.gz UCDUMXCWIVEIIH-HNNXBMFYSA-N 1 1 340.431 0.518 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3Cc4cccnc4C3)CC2)C1 ZINC001046081564 766919232 /nfs/dbraw/zinc/91/92/32/766919232.db2.gz MDPIISYBOFOMPX-ZWKOTPCHSA-N 1 1 338.455 0.648 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)C1 ZINC001046082731 766922094 /nfs/dbraw/zinc/92/20/94/766922094.db2.gz WALKBPJTWILFDS-QGZVFWFLSA-N 1 1 340.427 0.251 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC001046082983 766922398 /nfs/dbraw/zinc/92/23/98/766922398.db2.gz ZKBXCYYGZVFXHV-KRWDZBQOSA-N 1 1 344.459 0.643 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3csc(C)n3)CC2)C1 ZINC001046083755 766923644 /nfs/dbraw/zinc/92/36/44/766923644.db2.gz ZKYXINIIFNBGME-INIZCTEOSA-N 1 1 332.473 0.846 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncc(C(N)=O)c3)CC2)C1 ZINC001046084856 766926108 /nfs/dbraw/zinc/92/61/08/766926108.db2.gz WMOMVOCXLDPCLO-MRXNPFEDSA-N 1 1 343.431 0.199 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046085761 766927915 /nfs/dbraw/zinc/92/79/15/766927915.db2.gz QVYGTBSXKBYOGY-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCn3cc(C)cn3)CC2)C1 ZINC001046086175 766928047 /nfs/dbraw/zinc/92/80/47/766928047.db2.gz MSZMILCPNHTJQD-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)N3CCCCC3=O)CC2)C1 ZINC001046086431 766928648 /nfs/dbraw/zinc/92/86/48/766928648.db2.gz NVMSRFQCFDVYJF-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN(C)c3ccccc3)CC2)C1 ZINC001046086801 766929742 /nfs/dbraw/zinc/92/97/42/766929742.db2.gz ZJWRFRLQTXJFMQ-LJQANCHMSA-N 1 1 340.471 0.975 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3csc(COC)n3)CC2)C1 ZINC001046087811 766930267 /nfs/dbraw/zinc/93/02/67/766930267.db2.gz XPJAMKNBCBOWCD-AWEZNQCLSA-N 1 1 348.472 0.755 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC001046089287 766930940 /nfs/dbraw/zinc/93/09/40/766930940.db2.gz BCFPAYWYIDDPCL-KRWDZBQOSA-N 1 1 346.479 0.542 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnsn3)C2)C1=O ZINC001046170016 767010974 /nfs/dbraw/zinc/01/09/74/767010974.db2.gz XSUGICABYSKKFI-WFASDCNBSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cnsn3)C2)C1=O ZINC001046170016 767010984 /nfs/dbraw/zinc/01/09/84/767010984.db2.gz XSUGICABYSKKFI-WFASDCNBSA-N 1 1 335.433 0.519 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(CCC)CC2)C1 ZINC001046198754 767050553 /nfs/dbraw/zinc/05/05/53/767050553.db2.gz SINVGZNQMWYTLM-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(CCC)CC2)C1 ZINC001046198754 767050564 /nfs/dbraw/zinc/05/05/64/767050564.db2.gz SINVGZNQMWYTLM-HNNXBMFYSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1OC ZINC001212275152 767051709 /nfs/dbraw/zinc/05/17/09/767051709.db2.gz DUKXOIVTCPNVRI-BZUAXINKSA-N 1 1 328.453 0.946 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3nnnn3c1)CO2 ZINC001053869379 767084006 /nfs/dbraw/zinc/08/40/06/767084006.db2.gz KUJUKVSXHIHPMD-CQSZACIVSA-N 1 1 342.403 0.664 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046223033 767091010 /nfs/dbraw/zinc/09/10/10/767091010.db2.gz GEYCCKIQOTZSRO-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046223033 767091020 /nfs/dbraw/zinc/09/10/20/767091020.db2.gz GEYCCKIQOTZSRO-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046241064 767104778 /nfs/dbraw/zinc/10/47/78/767104778.db2.gz WRWDENFIVPVSFZ-QGZVFWFLSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)N2CCCCC2=O)[C@H](OC)C1 ZINC001212279164 767105217 /nfs/dbraw/zinc/10/52/17/767105217.db2.gz FSWTUWFUHQFSSW-ARFHVFGLSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2ccon2)C1 ZINC000938755994 767106848 /nfs/dbraw/zinc/10/68/48/767106848.db2.gz FEQIDDXCHFIKOP-HOTGVXAUSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2ccon2)C1 ZINC000938755994 767106850 /nfs/dbraw/zinc/10/68/50/767106850.db2.gz FEQIDDXCHFIKOP-HOTGVXAUSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccns2)C1 ZINC000938756476 767107056 /nfs/dbraw/zinc/10/70/56/767107056.db2.gz PUYANHCRZKHZCJ-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccns2)C1 ZINC000938756476 767107057 /nfs/dbraw/zinc/10/70/57/767107057.db2.gz PUYANHCRZKHZCJ-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046248236 767107626 /nfs/dbraw/zinc/10/76/26/767107626.db2.gz NESOAUUJLIZBCB-GTNSWQLSSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046248236 767107631 /nfs/dbraw/zinc/10/76/31/767107631.db2.gz NESOAUUJLIZBCB-GTNSWQLSSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001046253240 767110823 /nfs/dbraw/zinc/11/08/23/767110823.db2.gz SQCODVVAQBMSGT-ACJLOTCBSA-N 1 1 343.431 0.997 20 30 ECEDMO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001046252872 767110829 /nfs/dbraw/zinc/11/08/29/767110829.db2.gz LIJXKWPSRUAODP-YOEHRIQHSA-N 1 1 339.403 0.860 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253406 767110861 /nfs/dbraw/zinc/11/08/61/767110861.db2.gz XXMILUYAMFDVIZ-CRAIPNDOSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253406 767110862 /nfs/dbraw/zinc/11/08/62/767110862.db2.gz XXMILUYAMFDVIZ-CRAIPNDOSA-N 1 1 341.415 0.867 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCC4)[C@@H]3C2)[nH]1 ZINC001042016786 782604598 /nfs/dbraw/zinc/60/45/98/782604598.db2.gz UKRXWXGAIPSLOR-CZUORRHYSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(OC)no3)C2)C1=O ZINC001046254080 767112001 /nfs/dbraw/zinc/11/20/01/767112001.db2.gz HZVHKONQKPAUNY-YVEFUNNKSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(OC)no3)C2)C1=O ZINC001046254080 767112002 /nfs/dbraw/zinc/11/20/02/767112002.db2.gz HZVHKONQKPAUNY-YVEFUNNKSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3coc(C)n3)C2)C1=O ZINC001046268843 767118396 /nfs/dbraw/zinc/11/83/96/767118396.db2.gz JVAOOWKEHTWKFI-PBHICJAKSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3coc(C)n3)C2)C1=O ZINC001046268843 767118398 /nfs/dbraw/zinc/11/83/98/767118398.db2.gz JVAOOWKEHTWKFI-PBHICJAKSA-N 1 1 332.404 0.964 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001089735524 767136970 /nfs/dbraw/zinc/13/69/70/767136970.db2.gz MXOVWGNNTVHCDP-KBPBESRZSA-N 1 1 341.477 0.308 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001046313869 767141974 /nfs/dbraw/zinc/14/19/74/767141974.db2.gz XMXAZMFVAWAYEB-KBXCAEBGSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001046313869 767141975 /nfs/dbraw/zinc/14/19/75/767141975.db2.gz XMXAZMFVAWAYEB-KBXCAEBGSA-N 1 1 345.447 0.710 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cncn1 ZINC001089764627 767147886 /nfs/dbraw/zinc/14/78/86/767147886.db2.gz QYMDWOGUUZZKBC-HZMVEIRTSA-N 1 1 327.432 0.860 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046328370 767151814 /nfs/dbraw/zinc/15/18/14/767151814.db2.gz YTGJTUINJCRHKC-VKJFTORMSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046328370 767151815 /nfs/dbraw/zinc/15/18/15/767151815.db2.gz YTGJTUINJCRHKC-VKJFTORMSA-N 1 1 335.448 0.827 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1cncc(C#N)n1 ZINC001089771170 767155543 /nfs/dbraw/zinc/15/55/43/767155543.db2.gz LRWNMWJDSQDHFP-ZBFHGGJFSA-N 1 1 340.431 0.777 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1cncc(C#N)n1 ZINC001089771170 767155545 /nfs/dbraw/zinc/15/55/45/767155545.db2.gz LRWNMWJDSQDHFP-ZBFHGGJFSA-N 1 1 340.431 0.777 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1CCCC ZINC001127609008 767163487 /nfs/dbraw/zinc/16/34/87/767163487.db2.gz LWVGYBRXBKCFHB-KGLIPLIRSA-N 1 1 336.440 0.660 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001046374768 767178769 /nfs/dbraw/zinc/17/87/69/767178769.db2.gz RNFLYVDCKHDHFM-RDTXWAMCSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001046374768 767178771 /nfs/dbraw/zinc/17/87/71/767178771.db2.gz RNFLYVDCKHDHFM-RDTXWAMCSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001046445334 767229971 /nfs/dbraw/zinc/22/99/71/767229971.db2.gz CLWOUIKBAPYTRR-CQSZACIVSA-N 1 1 325.390 0.145 20 30 ECEDMO Cn1cc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)nn1 ZINC001089808028 767236423 /nfs/dbraw/zinc/23/64/23/767236423.db2.gz FQLHTEQZBFYPJW-RANZSIQMSA-N 1 1 339.443 0.897 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(CCOC)nn1 ZINC001089809409 767240623 /nfs/dbraw/zinc/24/06/23/767240623.db2.gz QJONSOCQQSKZPU-IVSAIRAKSA-N 1 1 343.431 0.340 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046539422 767290351 /nfs/dbraw/zinc/29/03/51/767290351.db2.gz PSNDLUWMCBXBPQ-QFBILLFUSA-N 1 1 343.402 0.894 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046539422 767290353 /nfs/dbraw/zinc/29/03/53/767290353.db2.gz PSNDLUWMCBXBPQ-QFBILLFUSA-N 1 1 343.402 0.894 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001042021546 782615213 /nfs/dbraw/zinc/61/52/13/782615213.db2.gz QPDRCJWLBTZQHF-CABCVRRESA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001042021546 782615219 /nfs/dbraw/zinc/61/52/19/782615219.db2.gz QPDRCJWLBTZQHF-CABCVRRESA-N 1 1 327.856 0.994 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046575245 767318656 /nfs/dbraw/zinc/31/86/56/767318656.db2.gz BZHGKUIENQEGLO-FQUUOJAGSA-N 1 1 328.420 0.275 20 30 ECEDMO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908280 767329556 /nfs/dbraw/zinc/32/95/56/767329556.db2.gz ORTLWHQZXHEQEC-HUUCEWRRSA-N 1 1 328.416 0.347 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046588417 767338890 /nfs/dbraw/zinc/33/88/90/767338890.db2.gz QJOBCSNPOVCPJG-YOEHRIQHSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046588417 767338896 /nfs/dbraw/zinc/33/88/96/767338896.db2.gz QJOBCSNPOVCPJG-YOEHRIQHSA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046589285 767340882 /nfs/dbraw/zinc/34/08/82/767340882.db2.gz UONVCHOHEVSHFP-WMLDXEAASA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046589285 767340889 /nfs/dbraw/zinc/34/08/89/767340889.db2.gz UONVCHOHEVSHFP-WMLDXEAASA-N 1 1 345.378 0.459 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001046604238 767355375 /nfs/dbraw/zinc/35/53/75/767355375.db2.gz HLBHTXICZZETLW-DJJJIMSYSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001046604238 767355380 /nfs/dbraw/zinc/35/53/80/767355380.db2.gz HLBHTXICZZETLW-DJJJIMSYSA-N 1 1 340.427 0.924 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001106152981 767386066 /nfs/dbraw/zinc/38/60/66/767386066.db2.gz MTRRQFDHHCJYAF-BPLDGKMQSA-N 1 1 331.420 0.491 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046626594 767390176 /nfs/dbraw/zinc/39/01/76/767390176.db2.gz ANXILYQDETWUGR-QWQRMKEZSA-N 1 1 344.390 0.899 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046626594 767390186 /nfs/dbraw/zinc/39/01/86/767390186.db2.gz ANXILYQDETWUGR-QWQRMKEZSA-N 1 1 344.390 0.899 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC001089832355 767395411 /nfs/dbraw/zinc/39/54/11/767395411.db2.gz USXHMWURAZKQAK-HZMVEIRTSA-N 1 1 344.459 0.594 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCCC2=CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001089832401 767395546 /nfs/dbraw/zinc/39/55/46/767395546.db2.gz SNRPCWPTWGHTNQ-HNNXBMFYSA-N 1 1 340.431 0.943 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCCC2=CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001089832384 767395669 /nfs/dbraw/zinc/39/56/69/767395669.db2.gz RUKYJPCDHRXOBI-OAHLLOKOSA-N 1 1 340.431 0.943 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001078288915 782620640 /nfs/dbraw/zinc/62/06/40/782620640.db2.gz VSOSXMCNBMTMHK-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001078288915 782620646 /nfs/dbraw/zinc/62/06/46/782620646.db2.gz VSOSXMCNBMTMHK-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)C[N@H+](C)C2CCC2)ccc1C#N ZINC001106153838 767403696 /nfs/dbraw/zinc/40/36/96/767403696.db2.gz ARQLWIMIISKFIX-HNNXBMFYSA-N 1 1 331.420 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001016978135 767428006 /nfs/dbraw/zinc/42/80/06/767428006.db2.gz SDOXIGQOXLZUSD-VXLLPVPCSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001016978135 767428012 /nfs/dbraw/zinc/42/80/12/767428012.db2.gz SDOXIGQOXLZUSD-VXLLPVPCSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2COC3(C[NH+](CCC4CC4)C3)C2)nn1 ZINC001053949374 767431516 /nfs/dbraw/zinc/43/15/16/767431516.db2.gz FPAYJFNEWWEJOY-AWEZNQCLSA-N 1 1 331.420 0.837 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106165068 767461054 /nfs/dbraw/zinc/46/10/54/767461054.db2.gz CVQPHUUMRKMTHX-GXTWGEPZSA-N 1 1 335.383 0.466 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001046681908 767472480 /nfs/dbraw/zinc/47/24/80/767472480.db2.gz VALDJPCRKLIZPN-MRXNPFEDSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001046681908 767472487 /nfs/dbraw/zinc/47/24/87/767472487.db2.gz VALDJPCRKLIZPN-MRXNPFEDSA-N 1 1 329.408 0.592 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001046684597 767477557 /nfs/dbraw/zinc/47/75/57/767477557.db2.gz JMNFZAHWGXPBDJ-GJZGRUSLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001046689472 767485908 /nfs/dbraw/zinc/48/59/08/767485908.db2.gz KVXUDYOAEGWBIW-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001046689472 767485911 /nfs/dbraw/zinc/48/59/11/767485911.db2.gz KVXUDYOAEGWBIW-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001060464544 767508859 /nfs/dbraw/zinc/50/88/59/767508859.db2.gz ZVAYWPFXSRPOKD-KBPBESRZSA-N 1 1 334.420 0.898 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC000992730440 767509238 /nfs/dbraw/zinc/50/92/38/767509238.db2.gz LEQMTXYLUBTGLP-YZVOILCLSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC000992730440 767509242 /nfs/dbraw/zinc/50/92/42/767509242.db2.gz LEQMTXYLUBTGLP-YZVOILCLSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCCN1C(N)=O)CO2 ZINC001053980884 767521895 /nfs/dbraw/zinc/52/18/95/767521895.db2.gz UKNJRSRSXQOKJP-KGLIPLIRSA-N 1 1 336.436 0.455 20 30 ECEDMO Cn1nncc1C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001017092317 767574505 /nfs/dbraw/zinc/57/45/05/767574505.db2.gz HNUGJISBIHYUOV-CYBMUJFWSA-N 1 1 341.419 0.999 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001017105939 767594384 /nfs/dbraw/zinc/59/43/84/767594384.db2.gz DARVPSYVBYIIQZ-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCN1C(C)=O)CO2 ZINC001054018648 767611573 /nfs/dbraw/zinc/61/15/73/767611573.db2.gz HGBOAPAWXOYREP-HZPDHXFCSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(N)=O)ccn1)CO2 ZINC001054026603 767629201 /nfs/dbraw/zinc/62/92/01/767629201.db2.gz CFTYIGOTPWYKPQ-CYBMUJFWSA-N 1 1 330.388 0.330 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001054036618 767636416 /nfs/dbraw/zinc/63/64/16/767636416.db2.gz OXVBQCROLQEWQL-ROUUACIJSA-N 1 1 327.428 0.493 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001054036618 767636422 /nfs/dbraw/zinc/63/64/22/767636422.db2.gz OXVBQCROLQEWQL-ROUUACIJSA-N 1 1 327.428 0.493 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001054039445 767638496 /nfs/dbraw/zinc/63/84/96/767638496.db2.gz BCIVMYSYHTZFQG-JKSUJKDBSA-N 1 1 327.384 0.661 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001054039445 767638502 /nfs/dbraw/zinc/63/85/02/767638502.db2.gz BCIVMYSYHTZFQG-JKSUJKDBSA-N 1 1 327.384 0.661 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1=O ZINC001031050689 767648198 /nfs/dbraw/zinc/64/81/98/767648198.db2.gz UEOXCUYWFZINRZ-IRXDYDNUSA-N 1 1 348.491 0.837 20 30 ECEDMO C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001054050657 767649878 /nfs/dbraw/zinc/64/98/78/767649878.db2.gz IQOUFYKCCUXWAU-HNNXBMFYSA-N 1 1 326.404 0.943 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001060476393 767686418 /nfs/dbraw/zinc/68/64/18/767686418.db2.gz KKSCMOUQIUIZOO-IDAWXYBZSA-N 1 1 325.416 0.702 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001060476391 767686494 /nfs/dbraw/zinc/68/64/94/767686494.db2.gz KKSCMOUQIUIZOO-FEMNKSEZSA-N 1 1 325.416 0.702 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001054118290 767706325 /nfs/dbraw/zinc/70/63/25/767706325.db2.gz FHPMDRGXIHZEEH-SJCJKPOMSA-N 1 1 329.404 0.688 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001054156539 767752695 /nfs/dbraw/zinc/75/26/95/767752695.db2.gz SNQNRZVOEOEXGB-QGZVFWFLSA-N 1 1 333.436 0.472 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001054156379 767752950 /nfs/dbraw/zinc/75/29/50/767752950.db2.gz NXMRJTICZJPHOY-SFHVURJKSA-N 1 1 347.463 0.863 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1 ZINC000992895692 767763219 /nfs/dbraw/zinc/76/32/19/767763219.db2.gz NKROGNLEWGJJBO-TXPKVOOTSA-N 1 1 345.443 0.037 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1 ZINC000992895692 767763223 /nfs/dbraw/zinc/76/32/23/767763223.db2.gz NKROGNLEWGJJBO-TXPKVOOTSA-N 1 1 345.443 0.037 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCCS1(=O)=O)C2 ZINC001054170284 767767302 /nfs/dbraw/zinc/76/73/02/767767302.db2.gz DQKKZDPRQPXCJK-RDJZCZTQSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCCS1(=O)=O)C2 ZINC001054170284 767767310 /nfs/dbraw/zinc/76/73/10/767767310.db2.gz DQKKZDPRQPXCJK-RDJZCZTQSA-N 1 1 338.473 0.901 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C(N)=O)C3)cc1 ZINC001054188360 767788081 /nfs/dbraw/zinc/78/80/81/767788081.db2.gz MVCUANSBSLULHU-SFHVURJKSA-N 1 1 326.400 0.858 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001054226938 767834808 /nfs/dbraw/zinc/83/48/08/767834808.db2.gz GHNBMJKZKKVLQA-SFHVURJKSA-N 1 1 348.447 0.771 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)cn1 ZINC001054230311 767839299 /nfs/dbraw/zinc/83/92/99/767839299.db2.gz RBSUDCWYPRLRLS-IFXJQAMLSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001054234565 767843276 /nfs/dbraw/zinc/84/32/76/767843276.db2.gz GDKQKEMISWGVLW-HKUYNNGSSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(=O)n(C)n1)C2 ZINC001054237597 767847566 /nfs/dbraw/zinc/84/75/66/767847566.db2.gz ZJSNROJTFRCSAQ-SFHVURJKSA-N 1 1 328.416 0.732 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@H]1C ZINC001106505326 768385892 /nfs/dbraw/zinc/38/58/92/768385892.db2.gz ORAAXSLPJCCFTC-ZIAGYGMSSA-N 1 1 345.447 0.409 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993206072 768478820 /nfs/dbraw/zinc/47/88/20/768478820.db2.gz STWIHFCLHYMECO-IAQYHMDHSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993206072 768478826 /nfs/dbraw/zinc/47/88/26/768478826.db2.gz STWIHFCLHYMECO-IAQYHMDHSA-N 1 1 329.404 0.748 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCNc1ccnc(C#N)n1 ZINC001106616039 768513324 /nfs/dbraw/zinc/51/33/24/768513324.db2.gz OWMRLGUEHNVAHM-ZIAGYGMSSA-N 1 1 330.436 0.951 20 30 ECEDMO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001106623362 768523517 /nfs/dbraw/zinc/52/35/17/768523517.db2.gz CQMOXDRHUULHBA-KGLIPLIRSA-N 1 1 330.436 0.951 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)[C@@H](O)C1 ZINC001083733948 768571998 /nfs/dbraw/zinc/57/19/98/768571998.db2.gz LQECMEZQHMGKEW-MJBXVCDLSA-N 1 1 331.407 0.701 20 30 ECEDMO CC(C)c1cc(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)n[nH]1 ZINC001106687883 768600182 /nfs/dbraw/zinc/60/01/82/768600182.db2.gz AXMOPINYZZCNAZ-CHWSQXEVSA-N 1 1 346.435 0.471 20 30 ECEDMO CC#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268079 768724550 /nfs/dbraw/zinc/72/45/50/768724550.db2.gz BQRWSGTYKVEBOC-IXDOHACOSA-N 1 1 347.459 0.427 20 30 ECEDMO CC#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268079 768724554 /nfs/dbraw/zinc/72/45/54/768724554.db2.gz BQRWSGTYKVEBOC-IXDOHACOSA-N 1 1 347.459 0.427 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001055305571 768762797 /nfs/dbraw/zinc/76/27/97/768762797.db2.gz OGULBFALGSDGSZ-OLMMMNRUSA-N 1 1 349.475 0.715 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 ZINC001055340642 768797743 /nfs/dbraw/zinc/79/77/43/768797743.db2.gz UCQJFCGGDDYYOY-KFWWJZLASA-N 1 1 337.387 0.779 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001055381101 768839115 /nfs/dbraw/zinc/83/91/15/768839115.db2.gz SUMREYVLCRSELV-TWMKSMIVSA-N 1 1 349.475 0.836 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]21 ZINC001042062946 782700880 /nfs/dbraw/zinc/70/08/80/782700880.db2.gz QBWJQHRQPHIFSD-LSDHHAIUSA-N 1 1 345.443 0.718 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)COc3c(C)nn(C)c3C)C[C@@H]21 ZINC001042063529 782701929 /nfs/dbraw/zinc/70/19/29/782701929.db2.gz YNGWEBRYLSXGOI-HOTGVXAUSA-N 1 1 330.432 0.972 20 30 ECEDMO CCN(CCNc1ncccc1C#N)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001106773215 768914277 /nfs/dbraw/zinc/91/42/77/768914277.db2.gz LVUKROOEJQCHPP-HNNXBMFYSA-N 1 1 331.420 0.934 20 30 ECEDMO CCN(CCNc1ncccc1C#N)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001106773215 768914283 /nfs/dbraw/zinc/91/42/83/768914283.db2.gz LVUKROOEJQCHPP-HNNXBMFYSA-N 1 1 331.420 0.934 20 30 ECEDMO C#CCN1CC[C@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]21 ZINC001042065425 782706805 /nfs/dbraw/zinc/70/68/05/782706805.db2.gz STUQSBQJNBRJCL-DOTOQJQBSA-N 1 1 329.448 0.614 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2cnccn2)CC1 ZINC001055502550 768954644 /nfs/dbraw/zinc/95/46/44/768954644.db2.gz HFXYBUSHPVRQMU-UHFFFAOYSA-N 1 1 331.420 0.753 20 30 ECEDMO CSCC(=O)NCC[NH+]1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001055511281 768978784 /nfs/dbraw/zinc/97/87/84/768978784.db2.gz YLMLDURFMFBYEQ-UHFFFAOYSA-N 1 1 349.460 0.560 20 30 ECEDMO Cc1noc(C)c1C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055514227 768983872 /nfs/dbraw/zinc/98/38/72/768983872.db2.gz BTNMDWITBUJYRA-LLVKDONJSA-N 1 1 347.419 0.762 20 30 ECEDMO Cn1cc(C(=O)NCC[NH+]2CCC(NC(=O)C#CC3CC3)CC2)cn1 ZINC001055515153 768984907 /nfs/dbraw/zinc/98/49/07/768984907.db2.gz UEAXZZLKCKUMLA-UHFFFAOYSA-N 1 1 343.431 0.144 20 30 ECEDMO Cc1ncsc1C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055528657 769010333 /nfs/dbraw/zinc/01/03/33/769010333.db2.gz HFFNMHCUFDCNPX-LLVKDONJSA-N 1 1 349.460 0.922 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cnsn2)CC1 ZINC001055532084 769029720 /nfs/dbraw/zinc/02/97/20/769029720.db2.gz WUUWBCKGZIELKW-UHFFFAOYSA-N 1 1 349.460 0.652 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2cncs2)CC1 ZINC001055532391 769030808 /nfs/dbraw/zinc/03/08/08/769030808.db2.gz DDHWZTWDYRIRAI-LLVKDONJSA-N 1 1 335.433 0.613 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1C[NH+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001031276059 769034912 /nfs/dbraw/zinc/03/49/12/769034912.db2.gz IWEDVKOVKQAVLB-IFXJQAMLSA-N 1 1 341.411 0.934 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)N1CCOCC1 ZINC001018295714 769049190 /nfs/dbraw/zinc/04/91/90/769049190.db2.gz UJALAYLQELYYFX-KSZLIROESA-N 1 1 331.460 0.796 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001018295713 769049302 /nfs/dbraw/zinc/04/93/02/769049302.db2.gz UJALAYLQELYYFX-FGTMMUONSA-N 1 1 331.460 0.796 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CCC(Nc3nccnc3C#N)CC2)C1 ZINC001060583421 769065391 /nfs/dbraw/zinc/06/53/91/769065391.db2.gz CTZRASVUCVZGTP-PIMMBPRGSA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CCC(Nc3nccnc3C#N)CC2)C1 ZINC001060583421 769065399 /nfs/dbraw/zinc/06/53/99/769065399.db2.gz CTZRASVUCVZGTP-PIMMBPRGSA-N 1 1 344.419 0.518 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001042077750 782720659 /nfs/dbraw/zinc/72/06/59/782720659.db2.gz OOSZNODIQXDQPC-CABCVRRESA-N 1 1 344.463 0.917 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cncnc2)CC1 ZINC001055563538 769122684 /nfs/dbraw/zinc/12/26/84/769122684.db2.gz HGXLPMYCZCPJEP-UHFFFAOYSA-N 1 1 343.431 0.446 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2ncccc2O)CC1 ZINC001055563836 769122847 /nfs/dbraw/zinc/12/28/47/769122847.db2.gz LUVPWWCFYNPKLY-LBPRGKRZSA-N 1 1 345.403 0.257 20 30 ECEDMO CC(C)(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2ncc[nH]2)CC1 ZINC001055573580 769154129 /nfs/dbraw/zinc/15/41/29/769154129.db2.gz ZOEXOBLTRDWQPG-UHFFFAOYSA-N 1 1 345.447 0.770 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3CCOC3)C2)CC1 ZINC001018357043 769178931 /nfs/dbraw/zinc/17/89/31/769178931.db2.gz ADUCTRLNEOGNPM-SJORKVTESA-N 1 1 349.475 0.982 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583594 769181847 /nfs/dbraw/zinc/18/18/47/769181847.db2.gz UDVLSRJGIRLXFP-SQWLQELKSA-N 1 1 349.479 0.183 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583594 769181852 /nfs/dbraw/zinc/18/18/52/769181852.db2.gz UDVLSRJGIRLXFP-SQWLQELKSA-N 1 1 349.479 0.183 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)CC1 ZINC001018357873 769182540 /nfs/dbraw/zinc/18/25/40/769182540.db2.gz IZVNJONXMCBIFW-IAGOWNOFSA-N 1 1 347.459 0.429 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H]1C ZINC000993510273 769196063 /nfs/dbraw/zinc/19/60/63/769196063.db2.gz UGSHDVWWTIVDHR-UKRRQHHQSA-N 1 1 328.416 0.715 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001055597688 769220280 /nfs/dbraw/zinc/22/02/80/769220280.db2.gz BGYQDJRDNHULQH-GDBMZVCRSA-N 1 1 349.479 0.327 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)C[C@H]21 ZINC001042084127 782733837 /nfs/dbraw/zinc/73/38/37/782733837.db2.gz OHKHUXGGXZZJLQ-HUUCEWRRSA-N 1 1 341.477 0.521 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H]1C ZINC000993536689 769240516 /nfs/dbraw/zinc/24/05/16/769240516.db2.gz WZXMKZRHBSNPIJ-KBPBESRZSA-N 1 1 342.403 0.926 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CC[NH+](CCNC(=O)c3cnon3)CC2)C1 ZINC001055622116 769277647 /nfs/dbraw/zinc/27/76/47/769277647.db2.gz CYGARADHIHLABU-UHFFFAOYSA-N 1 1 347.419 0.736 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2ncccn2)CC1 ZINC001055623396 769282957 /nfs/dbraw/zinc/28/29/57/769282957.db2.gz GCPHVXWDXWSIMB-UHFFFAOYSA-N 1 1 343.431 0.446 20 30 ECEDMO C=CCCCC(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055627650 769293616 /nfs/dbraw/zinc/29/36/16/769293616.db2.gz VBJSHRWDIMIVSZ-UHFFFAOYSA-N 1 1 334.424 0.471 20 30 ECEDMO Cc1cc(C(=O)NC2CC[NH+](CCNC(=O)[C@H](C)C#N)CC2)on1 ZINC001055629891 769298096 /nfs/dbraw/zinc/29/80/96/769298096.db2.gz NDWSGFMBGUXZBS-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO C=CCCCC(=O)NC1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633486 769312374 /nfs/dbraw/zinc/31/23/74/769312374.db2.gz PKJGIVNXHJCLEH-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H]1C ZINC000993633280 769445098 /nfs/dbraw/zinc/44/50/98/769445098.db2.gz OUADAVWZVFKPJF-JSGCOSHPSA-N 1 1 327.392 0.826 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H]1C ZINC000993773411 769597416 /nfs/dbraw/zinc/59/74/16/769597416.db2.gz QQQUEADYZRQILA-ZYHUDNBSSA-N 1 1 341.437 0.216 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H]1C ZINC000993773408 769597751 /nfs/dbraw/zinc/59/77/51/769597751.db2.gz QQQUEADYZRQILA-JQWIXIFHSA-N 1 1 341.437 0.216 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC001078358386 782768495 /nfs/dbraw/zinc/76/84/95/782768495.db2.gz OSRIYMZLIKPFCO-NWDGAFQWSA-N 1 1 339.827 0.940 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC001078358865 782769959 /nfs/dbraw/zinc/76/99/59/782769959.db2.gz XRKGTMDGHNEZTL-DZGCQCFKSA-N 1 1 348.451 0.900 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H]1C ZINC000993858605 769705140 /nfs/dbraw/zinc/70/51/40/769705140.db2.gz RZDUMFNHOCOUTA-KBPBESRZSA-N 1 1 330.432 0.957 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001078359922 782771359 /nfs/dbraw/zinc/77/13/59/782771359.db2.gz HSQXLERIDUGKIZ-TZMCWYRMSA-N 1 1 346.435 0.559 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000993902269 769810093 /nfs/dbraw/zinc/81/00/93/769810093.db2.gz NWWCUEYTGDTJSK-XJKCOSOUSA-N 1 1 343.431 0.805 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000993866916 769814434 /nfs/dbraw/zinc/81/44/34/769814434.db2.gz RPHNRTOFENJEPW-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H](C[C@@H](C)Nc1cncc(C#N)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001089356225 769844974 /nfs/dbraw/zinc/84/49/74/769844974.db2.gz VYFHLRAAESWMOU-ZIAGYGMSSA-N 1 1 346.435 0.766 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001018748345 769860221 /nfs/dbraw/zinc/86/02/21/769860221.db2.gz WTQJSYFVJWSCHS-LBPRGKRZSA-N 1 1 328.380 0.287 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001055824610 769861825 /nfs/dbraw/zinc/86/18/25/769861825.db2.gz XUTCOEFTOAGVNQ-CRAIPNDOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H]1C ZINC000993913930 769872082 /nfs/dbraw/zinc/87/20/82/769872082.db2.gz FMYFTTUAXOKQBY-QWHCGFSZSA-N 1 1 330.392 0.046 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C ZINC000993915271 769874540 /nfs/dbraw/zinc/87/45/40/769874540.db2.gz JDJLZNJNWCIDHL-DZGCQCFKSA-N 1 1 348.447 0.633 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@](CO)(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001055837779 769918921 /nfs/dbraw/zinc/91/89/21/769918921.db2.gz OHEDAFDESFWKAB-BEFAXECRSA-N 1 1 349.475 0.907 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CCC(Nc3ccnc(C#N)n3)CC2)CC[N@H+]1C ZINC001060629677 769952410 /nfs/dbraw/zinc/95/24/10/769952410.db2.gz AKILWGOWBNNTKC-XSCHDIRWSA-N 1 1 342.447 0.950 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]21 ZINC001042115685 782796276 /nfs/dbraw/zinc/79/62/76/782796276.db2.gz YWIGKMYWFLCPMH-ZFWWWQNUSA-N 1 1 338.473 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]21 ZINC001042115685 782796277 /nfs/dbraw/zinc/79/62/77/782796277.db2.gz YWIGKMYWFLCPMH-ZFWWWQNUSA-N 1 1 338.473 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C ZINC000994192926 770282170 /nfs/dbraw/zinc/28/21/70/770282170.db2.gz HROXLXPGNJUGQR-FMKPAKJESA-N 1 1 343.431 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C ZINC000994192926 770282174 /nfs/dbraw/zinc/28/21/74/770282174.db2.gz HROXLXPGNJUGQR-FMKPAKJESA-N 1 1 343.431 0.332 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938686 770290788 /nfs/dbraw/zinc/29/07/88/770290788.db2.gz KFCRMSHECGWHQY-DNVCBOLYSA-N 1 1 347.459 0.354 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938685 770290961 /nfs/dbraw/zinc/29/09/61/770290961.db2.gz KFCRMSHECGWHQY-BEFAXECRSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H]1C ZINC000994206439 770304127 /nfs/dbraw/zinc/30/41/27/770304127.db2.gz CKTQORTXQGPGCF-GHMZBOCLSA-N 1 1 334.376 0.502 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C ZINC000994207023 770304543 /nfs/dbraw/zinc/30/45/43/770304543.db2.gz FIAWNNZNFLTLPY-NWDGAFQWSA-N 1 1 330.392 0.576 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@@H]1C ZINC000994209472 770310632 /nfs/dbraw/zinc/31/06/32/770310632.db2.gz KQKCZDCLNVTXAY-WDEREUQCSA-N 1 1 334.376 0.502 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046927333 770380926 /nfs/dbraw/zinc/38/09/26/770380926.db2.gz XIDWFNMDNOGCHW-KGLIPLIRSA-N 1 1 331.407 0.967 20 30 ECEDMO Oc1cccc(C=NNC(=S)NCCC[NH+]2CCOCC2)c1O ZINC000916309877 770445497 /nfs/dbraw/zinc/44/54/97/770445497.db2.gz KKYQSCLXJDVDLI-UHFFFAOYSA-N 1 1 338.433 0.618 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001055986232 770454571 /nfs/dbraw/zinc/45/45/71/770454571.db2.gz DKDOHNZZWOAAGX-LJQANCHMSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@@H]21 ZINC001042141961 782844191 /nfs/dbraw/zinc/84/41/91/782844191.db2.gz ITZOIYGERWKLOM-WBVHZDCISA-N 1 1 344.459 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@@H]21 ZINC001042141961 782844196 /nfs/dbraw/zinc/84/41/96/782844196.db2.gz ITZOIYGERWKLOM-WBVHZDCISA-N 1 1 344.459 0.931 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001019004232 770541413 /nfs/dbraw/zinc/54/14/13/770541413.db2.gz GGLZJXVEDDTLRL-AWEZNQCLSA-N 1 1 341.415 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001019004232 770541421 /nfs/dbraw/zinc/54/14/21/770541421.db2.gz GGLZJXVEDDTLRL-AWEZNQCLSA-N 1 1 341.415 0.182 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001056011410 770544805 /nfs/dbraw/zinc/54/48/05/770544805.db2.gz LIHHSYBYMXHWHE-QGZVFWFLSA-N 1 1 334.420 0.627 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2ncc(C#N)cc2F)CC1 ZINC001056020438 770577033 /nfs/dbraw/zinc/57/70/33/770577033.db2.gz QGBHYPHCRGHAJJ-TZMCWYRMSA-N 1 1 331.395 0.939 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001056031466 770615057 /nfs/dbraw/zinc/61/50/57/770615057.db2.gz AAGBMEIQPTZKDL-YOEHRIQHSA-N 1 1 338.452 0.348 20 30 ECEDMO CC#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001056058114 770701522 /nfs/dbraw/zinc/70/15/22/770701522.db2.gz DOFLWOYPRCSDHO-APWZRJJASA-N 1 1 349.475 0.744 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001056060801 770710543 /nfs/dbraw/zinc/71/05/43/770710543.db2.gz ORYDZCHDNZUZLS-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001019073854 770717089 /nfs/dbraw/zinc/71/70/89/770717089.db2.gz LCKCRWLVUIQPBG-CJNGLKHVSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC2(F)F)C1 ZINC000994466847 770858221 /nfs/dbraw/zinc/85/82/21/770858221.db2.gz ZBYWLILUKMALQJ-OLZOCXBDSA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC2(F)F)C1 ZINC000994466847 770858233 /nfs/dbraw/zinc/85/82/33/770858233.db2.gz ZBYWLILUKMALQJ-OLZOCXBDSA-N 1 1 325.359 0.456 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001056127661 770890214 /nfs/dbraw/zinc/89/02/14/770890214.db2.gz GLVNWOZJYPXROG-QAPCUYQASA-N 1 1 337.464 0.764 20 30 ECEDMO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001056181165 771001218 /nfs/dbraw/zinc/00/12/18/771001218.db2.gz FRSFOWRYOBMUFO-QSJFSLAZSA-N 1 1 341.415 0.143 20 30 ECEDMO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001056181165 771001223 /nfs/dbraw/zinc/00/12/23/771001223.db2.gz FRSFOWRYOBMUFO-QSJFSLAZSA-N 1 1 341.415 0.143 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001060699676 771015815 /nfs/dbraw/zinc/01/58/15/771015815.db2.gz CTRZGDKTUOIULR-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001060699676 771015820 /nfs/dbraw/zinc/01/58/20/771015820.db2.gz CTRZGDKTUOIULR-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001056235573 771027450 /nfs/dbraw/zinc/02/74/50/771027450.db2.gz OCHFBOYFIGVWPF-QSJFSLAZSA-N 1 1 340.431 0.773 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001031439136 771074224 /nfs/dbraw/zinc/07/42/24/771074224.db2.gz CKVXKTBHJJQUTF-JKSUJKDBSA-N 1 1 334.464 0.448 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056309920 771104769 /nfs/dbraw/zinc/10/47/69/771104769.db2.gz JCXWUPYNAJDWEU-GVDBMIGSSA-N 1 1 347.459 0.712 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)n3CC)C2)c1 ZINC001019356722 771196991 /nfs/dbraw/zinc/19/69/91/771196991.db2.gz CTMSALHACPKNAE-INIZCTEOSA-N 1 1 338.415 0.987 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CC[N@H+](C)CC ZINC001056403466 771230830 /nfs/dbraw/zinc/23/08/30/771230830.db2.gz YKQIXPWUIICNEZ-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC(Nc1ccnc(C#N)n1)C2 ZINC001056511710 771344830 /nfs/dbraw/zinc/34/48/30/771344830.db2.gz VJFMDPAPGGQWHB-QQJWGNSGSA-N 1 1 340.431 0.704 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001031594175 771366031 /nfs/dbraw/zinc/36/60/31/771366031.db2.gz ABSDFQXIBAQNOQ-KRWDZBQOSA-N 1 1 346.406 0.576 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001031594175 771366033 /nfs/dbraw/zinc/36/60/33/771366033.db2.gz ABSDFQXIBAQNOQ-KRWDZBQOSA-N 1 1 346.406 0.576 20 30 ECEDMO CC(C)(C)N1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001031603921 771400907 /nfs/dbraw/zinc/40/09/07/771400907.db2.gz BMKVRJSPUZFVTG-OAHLLOKOSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1cc(C)ncn1 ZINC001127511600 771408976 /nfs/dbraw/zinc/40/89/76/771408976.db2.gz YQKPCQAXZZYRCM-INIZCTEOSA-N 1 1 345.447 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1cc(C)ncn1 ZINC001127511600 771408979 /nfs/dbraw/zinc/40/89/79/771408979.db2.gz YQKPCQAXZZYRCM-INIZCTEOSA-N 1 1 345.447 0.770 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001031612099 771442491 /nfs/dbraw/zinc/44/24/91/771442491.db2.gz FNSGNTKYHNBXJH-CQSZACIVSA-N 1 1 330.388 0.236 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001056629768 771448265 /nfs/dbraw/zinc/44/82/65/771448265.db2.gz SXBBOEWYWDPPHG-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCCO1 ZINC001089547915 771449080 /nfs/dbraw/zinc/44/90/80/771449080.db2.gz HVOYJIQOZRXRTR-AWEZNQCLSA-N 1 1 346.435 0.402 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001056648459 771467940 /nfs/dbraw/zinc/46/79/40/771467940.db2.gz XCJMDUMBXZIZOK-KGLIPLIRSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001056648459 771467942 /nfs/dbraw/zinc/46/79/42/771467942.db2.gz XCJMDUMBXZIZOK-KGLIPLIRSA-N 1 1 330.392 0.082 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)CC(C)(C)C1 ZINC001089559651 771486535 /nfs/dbraw/zinc/48/65/35/771486535.db2.gz QTHLXBLUCUJBPC-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO N#Cc1nccc(N[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001056717409 771549293 /nfs/dbraw/zinc/54/92/93/771549293.db2.gz KFLIZQGIKJJQCY-OLZOCXBDSA-N 1 1 337.387 0.557 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001056719905 771553152 /nfs/dbraw/zinc/55/31/52/771553152.db2.gz NWVLZCFRQRGKJT-IXDOHACOSA-N 1 1 349.475 0.816 20 30 ECEDMO CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246412 771571293 /nfs/dbraw/zinc/57/12/93/771571293.db2.gz SRMMZZUIFUTKAZ-KZNAEPCWSA-N 1 1 328.412 0.949 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246412 771571294 /nfs/dbraw/zinc/57/12/94/771571294.db2.gz SRMMZZUIFUTKAZ-KZNAEPCWSA-N 1 1 328.412 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)/C(C)=C/C)CCCO1 ZINC001019612100 771594375 /nfs/dbraw/zinc/59/43/75/771594375.db2.gz XLGCHMYAFRKIPT-DJKUPCSYSA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)/C(C)=C/C)CCCO1 ZINC001019612100 771594378 /nfs/dbraw/zinc/59/43/78/771594378.db2.gz XLGCHMYAFRKIPT-DJKUPCSYSA-N 1 1 347.459 0.784 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001056760747 771601887 /nfs/dbraw/zinc/60/18/87/771601887.db2.gz KRWLXHGNQAOWRT-HIFRSBDPSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001056760747 771601889 /nfs/dbraw/zinc/60/18/89/771601889.db2.gz KRWLXHGNQAOWRT-HIFRSBDPSA-N 1 1 344.419 0.470 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nn(CC)nc3C)C2)cn1 ZINC001019675183 771703723 /nfs/dbraw/zinc/70/37/23/771703723.db2.gz FFNQNUFONZMSKZ-INIZCTEOSA-N 1 1 338.415 0.987 20 30 ECEDMO CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001056942322 771840409 /nfs/dbraw/zinc/84/04/09/771840409.db2.gz VZQOTIPDJBVHBF-UKRRQHHQSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1occc1C ZINC001056973280 771890479 /nfs/dbraw/zinc/89/04/79/771890479.db2.gz KORFWANYIUPJRJ-HNNXBMFYSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1occc1C ZINC001056973280 771890487 /nfs/dbraw/zinc/89/04/87/771890487.db2.gz KORFWANYIUPJRJ-HNNXBMFYSA-N 1 1 347.415 0.236 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 ZINC001056989430 771915755 /nfs/dbraw/zinc/91/57/55/771915755.db2.gz PRVRMTCHFMSCAY-CYBMUJFWSA-N 1 1 325.376 0.591 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057027930 771963460 /nfs/dbraw/zinc/96/34/60/771963460.db2.gz SUWJWFXWSPZPGD-ZFWWWQNUSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057060564 772015136 /nfs/dbraw/zinc/01/51/36/772015136.db2.gz MCPBBDYDLRZSES-CABCVRRESA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057060564 772015141 /nfs/dbraw/zinc/01/51/41/772015141.db2.gz MCPBBDYDLRZSES-CABCVRRESA-N 1 1 338.415 0.483 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@H]21 ZINC001042244296 782975765 /nfs/dbraw/zinc/97/57/65/782975765.db2.gz WQYUOPLCFRUDKA-GOEBONIOSA-N 1 1 342.443 0.911 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=COCCO2)[C@H]1C ZINC001020030769 772091327 /nfs/dbraw/zinc/09/13/27/772091327.db2.gz MDFNRIGTGSWPOZ-KKUMJFAQSA-N 1 1 347.415 0.078 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=COCCO2)[C@H]1C ZINC001020030769 772091333 /nfs/dbraw/zinc/09/13/33/772091333.db2.gz MDFNRIGTGSWPOZ-KKUMJFAQSA-N 1 1 347.415 0.078 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnn(C)c2)[C@H]1C ZINC001020046417 772108973 /nfs/dbraw/zinc/10/89/73/772108973.db2.gz RXZLZCJGBHCFSA-BPUTZDHNSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnn(C)c2)[C@H]1C ZINC001020046417 772108976 /nfs/dbraw/zinc/10/89/76/772108976.db2.gz RXZLZCJGBHCFSA-BPUTZDHNSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)no2)[C@H]1C ZINC001020051699 772111912 /nfs/dbraw/zinc/11/19/12/772111912.db2.gz PAACVVKBJNPVMH-KKUMJFAQSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)no2)[C@H]1C ZINC001020051699 772111913 /nfs/dbraw/zinc/11/19/13/772111913.db2.gz PAACVVKBJNPVMH-KKUMJFAQSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncs2)[C@H]1C ZINC001020095533 772154036 /nfs/dbraw/zinc/15/40/36/772154036.db2.gz NQYTWFLLFFNVAB-IHRRRGAJSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncs2)[C@H]1C ZINC001020095533 772154037 /nfs/dbraw/zinc/15/40/37/772154037.db2.gz NQYTWFLLFFNVAB-IHRRRGAJSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](O)C(C)C)[C@H]1C ZINC001020234452 772326359 /nfs/dbraw/zinc/32/63/59/772326359.db2.gz SQOBMDHJIBQKGS-YHUYYLMFSA-N 1 1 335.448 0.207 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](O)C(C)C)[C@H]1C ZINC001020234452 772326365 /nfs/dbraw/zinc/32/63/65/772326365.db2.gz SQOBMDHJIBQKGS-YHUYYLMFSA-N 1 1 335.448 0.207 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]21 ZINC001042265456 783005134 /nfs/dbraw/zinc/00/51/34/783005134.db2.gz GMURVTVGCOHBLA-JSGCOSHPSA-N 1 1 325.372 0.605 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC)[C@H]3C2)nn1 ZINC001042267875 783011375 /nfs/dbraw/zinc/01/13/75/783011375.db2.gz XMMCMRZLMOLVSZ-HIFRSBDPSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC)[C@H]3C2)nn1 ZINC001042267875 783011384 /nfs/dbraw/zinc/01/13/84/783011384.db2.gz XMMCMRZLMOLVSZ-HIFRSBDPSA-N 1 1 346.435 0.137 20 30 ECEDMO Cc1cc(NC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001057303109 772431956 /nfs/dbraw/zinc/43/19/56/772431956.db2.gz DGIVFVVMJMPOAK-KRWDZBQOSA-N 1 1 343.431 0.417 20 30 ECEDMO Cc1cc(NC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001057303109 772431959 /nfs/dbraw/zinc/43/19/59/772431959.db2.gz DGIVFVVMJMPOAK-KRWDZBQOSA-N 1 1 343.431 0.417 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057536482 772731800 /nfs/dbraw/zinc/73/18/00/772731800.db2.gz ZPJMXQSLQAFTOK-QGZVFWFLSA-N 1 1 349.475 0.600 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540051 772735292 /nfs/dbraw/zinc/73/52/92/772735292.db2.gz DTTSMGWZXRFCGA-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540756 772736340 /nfs/dbraw/zinc/73/63/40/772736340.db2.gz DOVKYHIKXQQZKZ-UHFFFAOYSA-N 1 1 339.480 0.703 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001057570255 772766210 /nfs/dbraw/zinc/76/62/10/772766210.db2.gz LUTPQRJTAHNHAK-LSDHHAIUSA-N 1 1 338.452 0.346 20 30 ECEDMO N#Cc1nccc(N[C@@H]2CCCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC001057675802 772902129 /nfs/dbraw/zinc/90/21/29/772902129.db2.gz DKTAWLWAHZIBMZ-KDOFPFPSSA-N 1 1 340.431 0.659 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739880 772957050 /nfs/dbraw/zinc/95/70/50/772957050.db2.gz ULERTABPJDKPPM-BZUAXINKSA-N 1 1 339.480 0.866 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057786223 772981572 /nfs/dbraw/zinc/98/15/72/772981572.db2.gz NVLBHMMNQLRNAM-QGZVFWFLSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057786223 772981574 /nfs/dbraw/zinc/98/15/74/772981574.db2.gz NVLBHMMNQLRNAM-QGZVFWFLSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001057821589 773031283 /nfs/dbraw/zinc/03/12/83/773031283.db2.gz LJDAJRPVPWTTIY-HNNXBMFYSA-N 1 1 335.448 0.069 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057885366 773130465 /nfs/dbraw/zinc/13/04/65/773130465.db2.gz RUEWNNIIJIKZJL-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057945688 773245859 /nfs/dbraw/zinc/24/58/59/773245859.db2.gz CUCKARBVVGDGEL-OCCSQVGLSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@@H]1C=CCC1 ZINC001057961026 773289973 /nfs/dbraw/zinc/28/99/73/773289973.db2.gz GGHSKXDPAQXXMO-SJORKVTESA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@@H]1C=CCC1 ZINC001057961026 773289978 /nfs/dbraw/zinc/28/99/78/773289978.db2.gz GGHSKXDPAQXXMO-SJORKVTESA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C1CC1 ZINC001057961059 773290749 /nfs/dbraw/zinc/29/07/49/773290749.db2.gz HJNGHWSYMNATEI-HOCLYGCPSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C1CC1 ZINC001057961059 773290753 /nfs/dbraw/zinc/29/07/53/773290753.db2.gz HJNGHWSYMNATEI-HOCLYGCPSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccc(C)nn2)CC1 ZINC001057970459 773309583 /nfs/dbraw/zinc/30/95/83/773309583.db2.gz UCUHYXKSGDBHCI-INIZCTEOSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccc(C)nn2)CC1 ZINC001057970459 773309594 /nfs/dbraw/zinc/30/95/94/773309594.db2.gz UCUHYXKSGDBHCI-INIZCTEOSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057973947 773317263 /nfs/dbraw/zinc/31/72/63/773317263.db2.gz FGAOYUWRESKMQR-SJORKVTESA-N 1 1 349.475 0.744 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058041271 773411405 /nfs/dbraw/zinc/41/14/05/773411405.db2.gz ZACOPOGKEXGQGO-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058134492 773604553 /nfs/dbraw/zinc/60/45/53/773604553.db2.gz GMNOZRFWWIMXKS-GOEBONIOSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058134492 773604555 /nfs/dbraw/zinc/60/45/55/773604555.db2.gz GMNOZRFWWIMXKS-GOEBONIOSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058134479 773604583 /nfs/dbraw/zinc/60/45/83/773604583.db2.gz GJXBZXLKMAZCSF-HOCLYGCPSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001058134479 773604586 /nfs/dbraw/zinc/60/45/86/773604586.db2.gz GJXBZXLKMAZCSF-HOCLYGCPSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058168066 773683634 /nfs/dbraw/zinc/68/36/34/773683634.db2.gz SZBBWYFPYDOQMZ-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058168066 773683638 /nfs/dbraw/zinc/68/36/38/773683638.db2.gz SZBBWYFPYDOQMZ-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058287727 773922258 /nfs/dbraw/zinc/92/22/58/773922258.db2.gz BLFUHEFUSHWJAI-AWEZNQCLSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001058305923 773942083 /nfs/dbraw/zinc/94/20/83/773942083.db2.gz NEIWYKBLDYTYOU-GJZGRUSLSA-N 1 1 339.480 0.866 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)c(C)n3)C2)C1 ZINC001058376026 774058786 /nfs/dbraw/zinc/05/87/86/774058786.db2.gz CFLYIABZVLTMNL-HZPDHXFCSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)c(C)n3)C2)C1 ZINC001058376026 774058795 /nfs/dbraw/zinc/05/87/95/774058795.db2.gz CFLYIABZVLTMNL-HZPDHXFCSA-N 1 1 343.431 0.677 20 30 ECEDMO C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001039819484 783149592 /nfs/dbraw/zinc/14/95/92/783149592.db2.gz RKKJRJZMSFPWMF-RDTXWAMCSA-N 1 1 337.464 0.763 20 30 ECEDMO N#Cc1nccc(N2CC[C@@H](NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC001058414901 774135808 /nfs/dbraw/zinc/13/58/08/774135808.db2.gz BMQRZTZPICSPEQ-DYVFJYSZSA-N 1 1 326.404 0.529 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058464265 774234458 /nfs/dbraw/zinc/23/44/58/774234458.db2.gz RTYSKEQTHQIPJI-JKSUJKDBSA-N 1 1 339.480 0.868 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001058546824 774409507 /nfs/dbraw/zinc/40/95/07/774409507.db2.gz OLGXEGKGCYTFGQ-ZIAGYGMSSA-N 1 1 342.447 0.947 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001058573799 774457742 /nfs/dbraw/zinc/45/77/42/774457742.db2.gz WTDRHNCOYUUVJD-SOUVJXGZSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(C)nc(CO)n2)C1 ZINC001058589955 774491968 /nfs/dbraw/zinc/49/19/68/774491968.db2.gz QNYNYRNKRPXQJR-CABCVRRESA-N 1 1 343.431 0.070 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(C)nc(CO)n2)C1 ZINC001058589955 774491973 /nfs/dbraw/zinc/49/19/73/774491973.db2.gz QNYNYRNKRPXQJR-CABCVRRESA-N 1 1 343.431 0.070 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(c3nccnc3C#N)[C@H]2C1 ZINC001044940975 774748841 /nfs/dbraw/zinc/74/88/41/774748841.db2.gz CAQIMHAXOLOCHV-IMJJTQAJSA-N 1 1 340.431 0.870 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)n1C ZINC001044984095 774799025 /nfs/dbraw/zinc/79/90/25/774799025.db2.gz ZIEJGNLZBDRHMS-ZDUSSCGKSA-N 1 1 341.419 0.972 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001044985249 774801095 /nfs/dbraw/zinc/80/10/95/774801095.db2.gz IHEMTNLLCHVKNM-UONOGXRCSA-N 1 1 325.453 0.474 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001044986358 774801819 /nfs/dbraw/zinc/80/18/19/774801819.db2.gz UZHUAMPKRIOPQO-TZMCWYRMSA-N 1 1 334.420 0.339 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001045006361 774829301 /nfs/dbraw/zinc/82/93/01/774829301.db2.gz APGARJHEJIOEBT-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001045007503 774831395 /nfs/dbraw/zinc/83/13/95/774831395.db2.gz XTMUVXSRKGROQG-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO CCCCn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC001045033625 774871289 /nfs/dbraw/zinc/87/12/89/774871289.db2.gz HGBHSTNCKPOKHV-HNNXBMFYSA-N 1 1 330.436 0.967 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070023294 790357287 /nfs/dbraw/zinc/35/72/87/790357287.db2.gz KZCLRQXJHUXHSP-NEPJUHHUSA-N 1 1 337.334 0.780 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070023294 790357297 /nfs/dbraw/zinc/35/72/97/790357297.db2.gz KZCLRQXJHUXHSP-NEPJUHHUSA-N 1 1 337.334 0.780 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 ZINC001045552197 775782395 /nfs/dbraw/zinc/78/23/95/775782395.db2.gz QVBYKQNENOFOKY-ZIAGYGMSSA-N 1 1 336.436 0.098 20 30 ECEDMO C=CCn1cc(C(=O)NC2(C)CC[NH+](CC(=O)N3CCC3)CC2)nn1 ZINC001045580670 775829467 /nfs/dbraw/zinc/82/94/67/775829467.db2.gz LTOWJQZTVKENKB-UHFFFAOYSA-N 1 1 346.435 0.281 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001068497281 790409832 /nfs/dbraw/zinc/40/98/32/790409832.db2.gz QABJUVCRJITFEX-YDHLFZDLSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001068497281 790409839 /nfs/dbraw/zinc/40/98/39/790409839.db2.gz QABJUVCRJITFEX-YDHLFZDLSA-N 1 1 344.419 0.376 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001044290816 776068264 /nfs/dbraw/zinc/06/82/64/776068264.db2.gz GQOUDZHFFMXOMS-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCCNC2=O)c1 ZINC001045745213 776127755 /nfs/dbraw/zinc/12/77/55/776127755.db2.gz IONHAOLCNZPMED-YCPHGPKFSA-N 1 1 341.415 0.844 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(Cc3ccccc3C#N)C2)C1 ZINC001044322670 776148831 /nfs/dbraw/zinc/14/88/31/776148831.db2.gz NCZMDTQDLYYUCI-GOSISDBHSA-N 1 1 342.443 0.922 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(Cc3ccccc3C#N)C2)C1 ZINC001044322670 776148833 /nfs/dbraw/zinc/14/88/33/776148833.db2.gz NCZMDTQDLYYUCI-GOSISDBHSA-N 1 1 342.443 0.922 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@@H](n2ccnn2)C1 ZINC001070042577 790430292 /nfs/dbraw/zinc/43/02/92/790430292.db2.gz SQRYALYWUGODGI-KGLIPLIRSA-N 1 1 328.376 0.507 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@@H](n2ccnn2)C1 ZINC001070042577 790430295 /nfs/dbraw/zinc/43/02/95/790430295.db2.gz SQRYALYWUGODGI-KGLIPLIRSA-N 1 1 328.376 0.507 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070046813 790442444 /nfs/dbraw/zinc/44/24/44/790442444.db2.gz PTWPESGZIQHNEH-KGLIPLIRSA-N 1 1 330.417 0.342 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001044475648 776336387 /nfs/dbraw/zinc/33/63/87/776336387.db2.gz XIKAAMPHWOCBKV-CYBMUJFWSA-N 1 1 346.431 0.662 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC)C[C@@H]2n2ccnn2)nn1 ZINC001070048268 790446401 /nfs/dbraw/zinc/44/64/01/790446401.db2.gz HYDIZZYVERREFH-OCCSQVGLSA-N 1 1 330.396 0.121 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC)C[C@@H]2n2ccnn2)nn1 ZINC001070048268 790446407 /nfs/dbraw/zinc/44/64/07/790446407.db2.gz HYDIZZYVERREFH-OCCSQVGLSA-N 1 1 330.396 0.121 20 30 ECEDMO CCN(C(=O)C#CC(C)C)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001079725974 776766410 /nfs/dbraw/zinc/76/64/10/776766410.db2.gz XFYSGUYRJARKQR-UHFFFAOYSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001079776556 776851206 /nfs/dbraw/zinc/85/12/06/776851206.db2.gz JHJDLBYSHMHQPU-LSDHHAIUSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1C ZINC001079878112 777011767 /nfs/dbraw/zinc/01/17/67/777011767.db2.gz GWPLKJMFXMAOOC-YUELXQCFSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1C ZINC001079878112 777011775 /nfs/dbraw/zinc/01/17/75/777011775.db2.gz GWPLKJMFXMAOOC-YUELXQCFSA-N 1 1 333.461 0.572 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CN(C(=O)C#CC(C)C)C1 ZINC001079899683 777044125 /nfs/dbraw/zinc/04/41/25/777044125.db2.gz IFDRVAXBBWHJFP-NVXWUHKLSA-N 1 1 347.459 0.568 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070071581 790508210 /nfs/dbraw/zinc/50/82/10/790508210.db2.gz BAWLLWHOFXBVDQ-VYDXJSESSA-N 1 1 346.435 0.064 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070071581 790508219 /nfs/dbraw/zinc/50/82/19/790508219.db2.gz BAWLLWHOFXBVDQ-VYDXJSESSA-N 1 1 346.435 0.064 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)O2 ZINC001068538910 790514320 /nfs/dbraw/zinc/51/43/20/790514320.db2.gz BLNWVVOGQKTXAE-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079978569 777184041 /nfs/dbraw/zinc/18/40/41/777184041.db2.gz UAGWCXFXUMKBNL-UHFFFAOYSA-N 1 1 325.453 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COCCC)C1 ZINC001080009023 777220763 /nfs/dbraw/zinc/22/07/63/777220763.db2.gz MWBPIEFRFXEKTH-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COCCC)C1 ZINC001080009023 777220770 /nfs/dbraw/zinc/22/07/70/777220770.db2.gz MWBPIEFRFXEKTH-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](C)CCOC)C1 ZINC001080009206 777222403 /nfs/dbraw/zinc/22/24/03/777222403.db2.gz UWSZCNRLDSCHHR-WBVHZDCISA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](C)CCOC)C1 ZINC001080009206 777222410 /nfs/dbraw/zinc/22/24/10/777222410.db2.gz UWSZCNRLDSCHHR-WBVHZDCISA-N 1 1 349.475 0.816 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)nc1 ZINC001070078920 790530350 /nfs/dbraw/zinc/53/03/50/790530350.db2.gz XKLCMUIPAXPHIZ-SJORKVTESA-N 1 1 336.399 0.720 20 30 ECEDMO CCN(C(=O)Cn1c[nH+]cc1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001080105037 777396598 /nfs/dbraw/zinc/39/65/98/777396598.db2.gz AJJCMKVYPOJVFW-UHFFFAOYSA-N 1 1 340.387 0.764 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261390 777622303 /nfs/dbraw/zinc/62/23/03/777622303.db2.gz MIAGNGKSBIUQQL-DAXOMENPSA-N 1 1 326.400 0.631 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261390 777622307 /nfs/dbraw/zinc/62/23/07/777622307.db2.gz MIAGNGKSBIUQQL-DAXOMENPSA-N 1 1 326.400 0.631 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2CC)[C@@H](n2ccnn2)C1 ZINC001070085927 790554984 /nfs/dbraw/zinc/55/49/84/790554984.db2.gz YWYZXRKNANYOTN-KGLIPLIRSA-N 1 1 329.408 0.795 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2CC)[C@@H](n2ccnn2)C1 ZINC001070085927 790554993 /nfs/dbraw/zinc/55/49/93/790554993.db2.gz YWYZXRKNANYOTN-KGLIPLIRSA-N 1 1 329.408 0.795 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001080308322 777665872 /nfs/dbraw/zinc/66/58/72/777665872.db2.gz GCJVMBPWGQGPPV-GDBMZVCRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001080308322 777665880 /nfs/dbraw/zinc/66/58/80/777665880.db2.gz GCJVMBPWGQGPPV-GDBMZVCRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H](n2ccnn2)C1 ZINC001070088881 790564889 /nfs/dbraw/zinc/56/48/89/790564889.db2.gz KEVXWPRYMLAXOP-CVEARBPZSA-N 1 1 343.435 0.860 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001080473963 777907263 /nfs/dbraw/zinc/90/72/63/777907263.db2.gz GNYBJGIABCNHJY-FPCVCCKLSA-N 1 1 335.448 0.636 20 30 ECEDMO Cc1cc(N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)c(C#N)cn1 ZINC001043205040 777954385 /nfs/dbraw/zinc/95/43/85/777954385.db2.gz YGJZKSHCMOPCIW-HACGYAERSA-N 1 1 327.432 0.894 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC001070093500 790579168 /nfs/dbraw/zinc/57/91/68/790579168.db2.gz UKEMUNCEJXWKJR-UHFFFAOYSA-N 1 1 337.464 0.912 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001043211773 777972975 /nfs/dbraw/zinc/97/29/75/777972975.db2.gz VYPFVTZWWOXTRG-YUELXQCFSA-N 1 1 344.419 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001043211773 777972978 /nfs/dbraw/zinc/97/29/78/777972978.db2.gz VYPFVTZWWOXTRG-YUELXQCFSA-N 1 1 344.419 0.328 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080559399 778033938 /nfs/dbraw/zinc/03/39/38/778033938.db2.gz DUKYKGBCNPEDOM-UAGQMJEPSA-N 1 1 349.475 0.979 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)O2 ZINC001068575598 790614533 /nfs/dbraw/zinc/61/45/33/790614533.db2.gz PYNMRJCPDHUZES-CVEARBPZSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001070105960 790621317 /nfs/dbraw/zinc/62/13/17/790621317.db2.gz PUQKGLICSPHXBR-OAGGEKHMSA-N 1 1 343.435 0.880 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001070105960 790621321 /nfs/dbraw/zinc/62/13/21/790621321.db2.gz PUQKGLICSPHXBR-OAGGEKHMSA-N 1 1 343.435 0.880 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070108005 790629058 /nfs/dbraw/zinc/62/90/58/790629058.db2.gz BLPNQUFLKCDQNB-CABCVRRESA-N 1 1 341.419 0.730 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070108005 790629064 /nfs/dbraw/zinc/62/90/64/790629064.db2.gz BLPNQUFLKCDQNB-CABCVRRESA-N 1 1 341.419 0.730 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCC1(NC(=O)C#CC(C)C)CCOCC1 ZINC001070108894 790631547 /nfs/dbraw/zinc/63/15/47/790631547.db2.gz VJXJHEPFSVYOIO-UHFFFAOYSA-N 1 1 337.464 0.769 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001043613689 778594590 /nfs/dbraw/zinc/59/45/90/778594590.db2.gz VRRZIOQAGOOSBV-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(c4ncccc4C#N)C[C@@H]32)C1 ZINC001043728197 778783550 /nfs/dbraw/zinc/78/35/50/778783550.db2.gz VLIUWRHDMPWVBH-OWCLPIDISA-N 1 1 341.415 0.321 20 30 ECEDMO CC(=O)N1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H](n2ccnn2)C1 ZINC001070114786 790654212 /nfs/dbraw/zinc/65/42/12/790654212.db2.gz GNOHJODLFGWUFC-CVEARBPZSA-N 1 1 328.351 0.850 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043771786 778846311 /nfs/dbraw/zinc/84/63/11/778846311.db2.gz YYBRHTHKLIXFRD-YOEHRIQHSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070123678 790691659 /nfs/dbraw/zinc/69/16/59/790691659.db2.gz YHYIHXBKULSCPH-AWEZNQCLSA-N 1 1 337.464 0.932 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)cn3)C2)O1 ZINC001068615751 790716419 /nfs/dbraw/zinc/71/64/19/790716419.db2.gz YIXLESPSZCMXCT-DTZQCDIJSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)cn3)C2)O1 ZINC001068615751 790716429 /nfs/dbraw/zinc/71/64/29/790716429.db2.gz YIXLESPSZCMXCT-DTZQCDIJSA-N 1 1 343.431 0.979 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC001042301702 780022981 /nfs/dbraw/zinc/02/29/81/780022981.db2.gz MJAHYVQZANEDIB-QWHCGFSZSA-N 1 1 334.420 0.426 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@H]21 ZINC001042310540 780046489 /nfs/dbraw/zinc/04/64/89/780046489.db2.gz UGBSIEVCOIZKKD-CZUORRHYSA-N 1 1 338.415 0.980 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001042320069 780068144 /nfs/dbraw/zinc/06/81/44/780068144.db2.gz MSPDTUHQPLCUBR-ZFWWWQNUSA-N 1 1 342.399 0.115 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001042320069 780068148 /nfs/dbraw/zinc/06/81/48/780068148.db2.gz MSPDTUHQPLCUBR-ZFWWWQNUSA-N 1 1 342.399 0.115 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC)[C@@H]3C2)cn1 ZINC001042320676 780069612 /nfs/dbraw/zinc/06/96/12/780069612.db2.gz SUNOUFFSURAEQW-CZUORRHYSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC)[C@@H]3C2)cn1 ZINC001042320676 780069620 /nfs/dbraw/zinc/06/96/20/780069620.db2.gz SUNOUFFSURAEQW-CZUORRHYSA-N 1 1 326.400 0.345 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3nc4nccc(C)n4n3)C[C@H]21 ZINC001042335436 780091186 /nfs/dbraw/zinc/09/11/86/780091186.db2.gz KKFPAWGVTXYJEB-LSDHHAIUSA-N 1 1 338.415 0.992 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C ZINC001042358561 780141086 /nfs/dbraw/zinc/14/10/86/780141086.db2.gz HBCDWIXOXSVGKB-BXUZGUMPSA-N 1 1 325.376 0.494 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001042629785 780554893 /nfs/dbraw/zinc/55/48/93/780554893.db2.gz WZSCKIYKGNRSTG-QHSBEEBCSA-N 1 1 344.419 0.008 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001042629785 780554898 /nfs/dbraw/zinc/55/48/98/780554898.db2.gz WZSCKIYKGNRSTG-QHSBEEBCSA-N 1 1 344.419 0.008 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001042661607 780604917 /nfs/dbraw/zinc/60/49/17/780604917.db2.gz XQKUMDCGDUQCQI-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn[nH]n2)C1 ZINC001079138000 780801793 /nfs/dbraw/zinc/80/17/93/780801793.db2.gz HLILADFIMUFHNX-HZPDHXFCSA-N 1 1 327.388 0.678 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn[nH]n2)C1 ZINC001079138000 780801801 /nfs/dbraw/zinc/80/18/01/780801801.db2.gz HLILADFIMUFHNX-HZPDHXFCSA-N 1 1 327.388 0.678 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H](C)CC)C1 ZINC001042794389 780829040 /nfs/dbraw/zinc/82/90/40/780829040.db2.gz KNLDLPDVFGSKIO-CABCVRRESA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H](C)CC)C1 ZINC001042794389 780829046 /nfs/dbraw/zinc/82/90/46/780829046.db2.gz KNLDLPDVFGSKIO-CABCVRRESA-N 1 1 335.448 0.210 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21 ZINC001079260841 780932423 /nfs/dbraw/zinc/93/24/23/780932423.db2.gz SAAKAUMIJYPMGW-IXDOHACOSA-N 1 1 346.475 0.934 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccccn3)C2)C1=O ZINC001079357562 781025377 /nfs/dbraw/zinc/02/53/77/781025377.db2.gz RHNWYPVAIKIJCN-BMFZPTHFSA-N 1 1 328.416 0.919 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccccn3)C2)C1=O ZINC001079357562 781025383 /nfs/dbraw/zinc/02/53/83/781025383.db2.gz RHNWYPVAIKIJCN-BMFZPTHFSA-N 1 1 328.416 0.919 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cn(C)nc2C)C1 ZINC001042961115 781104257 /nfs/dbraw/zinc/10/42/57/781104257.db2.gz YIDBXVUETCGDNS-KRWDZBQOSA-N 1 1 329.448 0.469 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cn(C)nc2C)C1 ZINC001042961115 781104262 /nfs/dbraw/zinc/10/42/62/781104262.db2.gz YIDBXVUETCGDNS-KRWDZBQOSA-N 1 1 329.448 0.469 20 30 ECEDMO O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001042963716 781106881 /nfs/dbraw/zinc/10/68/81/781106881.db2.gz SWOIZQLZQTXBEQ-CVEARBPZSA-N 1 1 345.443 0.106 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042970397 781118745 /nfs/dbraw/zinc/11/87/45/781118745.db2.gz LWFMIZRJVRVBBF-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043043046 781233839 /nfs/dbraw/zinc/23/38/39/781233839.db2.gz BSMNXXYKPMCJKN-HNNXBMFYSA-N 1 1 337.464 0.905 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043044070 781236998 /nfs/dbraw/zinc/23/69/98/781236998.db2.gz SQTSCKPWEZXWLL-CQSZACIVSA-N 1 1 337.464 0.761 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043060894 781258578 /nfs/dbraw/zinc/25/85/78/781258578.db2.gz XNSVZUJMGTWHLD-HZPDHXFCSA-N 1 1 347.459 0.354 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592456 781295691 /nfs/dbraw/zinc/29/56/91/781295691.db2.gz HKCHOBBSROJUQX-UHOFOFEASA-N 1 1 342.403 0.194 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)nc1 ZINC001077631399 781386012 /nfs/dbraw/zinc/38/60/12/781386012.db2.gz CZDUEKPYNGFSPB-XJKSGUPXSA-N 1 1 328.416 0.782 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2O)C1 ZINC001077642056 781410486 /nfs/dbraw/zinc/41/04/86/781410486.db2.gz UYRBAPVNGODJJU-HUUCEWRRSA-N 1 1 331.416 0.403 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)CC[N@H+]1C ZINC001041388980 781412980 /nfs/dbraw/zinc/41/29/80/781412980.db2.gz WRMINJYNESKYQK-ZJIFWQFVSA-N 1 1 343.431 0.349 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2O)c1 ZINC001077649747 781423767 /nfs/dbraw/zinc/42/37/67/781423767.db2.gz CFFXWLCRJFZPPA-GVDBMIGSSA-N 1 1 329.400 0.407 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3cccc(F)c3C#N)C[C@H]2O)CC[N@H+]1C ZINC001041397289 781431728 /nfs/dbraw/zinc/43/17/28/781431728.db2.gz RRPXFVAKXJSJNQ-GADXADSLSA-N 1 1 346.406 0.703 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3coc(S(N)(=O)=O)c3)C2)C1 ZINC001041414274 781457864 /nfs/dbraw/zinc/45/78/64/781457864.db2.gz HESDNHQDVMFYLY-OAHLLOKOSA-N 1 1 337.401 0.098 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041420834 781472039 /nfs/dbraw/zinc/47/20/39/781472039.db2.gz FDHZFLJIKNIQJS-KSSFIOAISA-N 1 1 343.431 0.494 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CCN(C(=O)c4cn[nH]n4)C3)C2)C1=O ZINC001041435130 781506910 /nfs/dbraw/zinc/50/69/10/781506910.db2.gz OUQURWIJTFYZTG-RHSMWYFYSA-N 1 1 344.419 0.130 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O ZINC001077698166 781537752 /nfs/dbraw/zinc/53/77/52/781537752.db2.gz WUQXGTDMKILSRA-TVFCKZIOSA-N 1 1 330.428 0.982 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C2)C1 ZINC001041448923 781539502 /nfs/dbraw/zinc/53/95/02/781539502.db2.gz GWNSJBLRIXTCKM-LJQANCHMSA-N 1 1 344.459 0.933 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C2)C1 ZINC001041448923 781539511 /nfs/dbraw/zinc/53/95/11/781539511.db2.gz GWNSJBLRIXTCKM-LJQANCHMSA-N 1 1 344.459 0.933 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](CNc2cnc(C#N)cn2)C1 ZINC001041478465 781594366 /nfs/dbraw/zinc/59/43/66/781594366.db2.gz AZQYHIOAIGDMPK-LSDHHAIUSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNc2cncc(C#N)n2)C1 ZINC001041478540 781596177 /nfs/dbraw/zinc/59/61/77/781596177.db2.gz BPNWLHONZDESDV-CABCVRRESA-N 1 1 344.419 0.472 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCCCS3(=O)=O)C2)C1 ZINC001041480901 781601445 /nfs/dbraw/zinc/60/14/45/781601445.db2.gz XEBKEBCOXQVEID-MRXNPFEDSA-N 1 1 341.477 0.522 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](CNc2nccnc2C#N)C1 ZINC001041482541 781605083 /nfs/dbraw/zinc/60/50/83/781605083.db2.gz NWGWEXHPCKEJSW-ZFWWWQNUSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C(F)(F)F)C1 ZINC001077749254 781641044 /nfs/dbraw/zinc/64/10/44/781641044.db2.gz JIPMPFQJZQPVMI-NXEZZACHSA-N 1 1 331.294 0.800 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C(F)(F)F)C1 ZINC001077749254 781641053 /nfs/dbraw/zinc/64/10/53/781641053.db2.gz JIPMPFQJZQPVMI-NXEZZACHSA-N 1 1 331.294 0.800 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001041504912 781650891 /nfs/dbraw/zinc/65/08/91/781650891.db2.gz HJFSOKFHUALRDC-RHSMWYFYSA-N 1 1 343.431 0.934 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCCS3(=O)=O)C2)C1 ZINC001041504937 781651044 /nfs/dbraw/zinc/65/10/44/781651044.db2.gz DQICNAYUPIGPAL-DOTOQJQBSA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCCS3(=O)=O)C2)C1 ZINC001041504937 781651050 /nfs/dbraw/zinc/65/10/50/781651050.db2.gz DQICNAYUPIGPAL-DOTOQJQBSA-N 1 1 338.473 0.901 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)nn1 ZINC001077801162 781721759 /nfs/dbraw/zinc/72/17/59/781721759.db2.gz FQIDORWWHWGKKV-IIAWOOMASA-N 1 1 349.435 0.198 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001077848901 781812421 /nfs/dbraw/zinc/81/24/21/781812421.db2.gz XCZMGIOQSFDMOH-HUUCEWRRSA-N 1 1 335.404 0.657 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2Br)C1 ZINC001077855998 781824051 /nfs/dbraw/zinc/82/40/51/781824051.db2.gz ZRSVNMGGALMRAK-NXEZZACHSA-N 1 1 329.198 0.523 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040046855 783435158 /nfs/dbraw/zinc/43/51/58/783435158.db2.gz FRDFSHNMBMWUFH-KRWDZBQOSA-N 1 1 334.420 0.627 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001040788707 783441611 /nfs/dbraw/zinc/44/16/11/783441611.db2.gz ISGHGPOSTWNKCX-CWRNSKLLSA-N 1 1 340.431 0.870 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001040813395 783490115 /nfs/dbraw/zinc/49/01/15/783490115.db2.gz QDTIHFYUVMYCOQ-MSOLQXFVSA-N 1 1 348.447 0.873 20 30 ECEDMO C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001040099754 783541717 /nfs/dbraw/zinc/54/17/17/783541717.db2.gz LGDLZPRTZQDNQK-QGZVFWFLSA-N 1 1 325.453 0.763 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1n1ccnn1 ZINC001070184095 783612752 /nfs/dbraw/zinc/61/27/52/783612752.db2.gz JPTKHXLQSHGPLH-KGLIPLIRSA-N 1 1 349.826 0.348 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001070291960 783798973 /nfs/dbraw/zinc/79/89/73/783798973.db2.gz DAHXARMTFZJKCI-IMJJTQAJSA-N 1 1 343.435 0.798 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)c3cn[nH]c3)[nH]2)[C@H](C2CC2)C1 ZINC001070351225 783863665 /nfs/dbraw/zinc/86/36/65/783863665.db2.gz NGYBNCIYJFDEJP-UONOGXRCSA-N 1 1 339.403 0.516 20 30 ECEDMO C#CC[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3cn[nH]c3)n2)[C@H](C2CC2)C1 ZINC001070351225 783863671 /nfs/dbraw/zinc/86/36/71/783863671.db2.gz NGYBNCIYJFDEJP-UONOGXRCSA-N 1 1 339.403 0.516 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3cn[nH]c3)n2)[C@H](C2CC2)C1 ZINC001070351225 783863676 /nfs/dbraw/zinc/86/36/76/783863676.db2.gz NGYBNCIYJFDEJP-UONOGXRCSA-N 1 1 339.403 0.516 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(F)c(C#N)c2)C1 ZINC001038134173 783899381 /nfs/dbraw/zinc/89/93/81/783899381.db2.gz FCHIEAMTXZFUQZ-DOTOQJQBSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(F)c(C#N)c2)C1 ZINC001038134173 783899386 /nfs/dbraw/zinc/89/93/86/783899386.db2.gz FCHIEAMTXZFUQZ-DOTOQJQBSA-N 1 1 346.406 0.718 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CCCN2CCCC2=O)[nH]1 ZINC001038164027 783937984 /nfs/dbraw/zinc/93/79/84/783937984.db2.gz OMIDUIPYTFSKNM-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2snnc2C)C1 ZINC001070396601 783960246 /nfs/dbraw/zinc/96/02/46/783960246.db2.gz SYLQINNYWUVQMY-NSHDSACASA-N 1 1 330.417 0.922 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCO2)C1 ZINC001070398283 783964310 /nfs/dbraw/zinc/96/43/10/783964310.db2.gz QCJSZIXYYZMCAY-HIFRSBDPSA-N 1 1 332.404 0.254 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(C)nn2C)C1 ZINC001070399193 783966019 /nfs/dbraw/zinc/96/60/19/783966019.db2.gz FNVXUORUCVSDGH-ZDUSSCGKSA-N 1 1 326.404 0.804 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(C)n(C)n2)C1 ZINC001070400159 783969016 /nfs/dbraw/zinc/96/90/16/783969016.db2.gz SDSXEWNJBGXFMB-ZDUSSCGKSA-N 1 1 326.404 0.804 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2C)C1 ZINC001070404505 783981653 /nfs/dbraw/zinc/98/16/53/783981653.db2.gz HLZCFEHMSXZTEJ-ZBFHGGJFSA-N 1 1 345.447 0.169 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2C)C1 ZINC001070404833 783982123 /nfs/dbraw/zinc/98/21/23/783982123.db2.gz QIBFYWCEVVFDSW-ZBFHGGJFSA-N 1 1 347.463 0.722 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001070404796 783982796 /nfs/dbraw/zinc/98/27/96/783982796.db2.gz OZFSTAJNVZZPLI-RYUDHWBXSA-N 1 1 342.403 0.710 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001070406079 783986294 /nfs/dbraw/zinc/98/62/94/783986294.db2.gz LDMZQRRTMLQYGL-LBPRGKRZSA-N 1 1 345.403 0.997 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2CCC(O)CC2)C1 ZINC001070406156 783986445 /nfs/dbraw/zinc/98/64/45/783986445.db2.gz MXNJFDFRMSGKNR-BBBYJDLNSA-N 1 1 330.432 1.000 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001070407388 783990920 /nfs/dbraw/zinc/99/09/20/783990920.db2.gz DZVQUBCDRSMVNB-WCQYABFASA-N 1 1 333.392 0.500 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCF)C1 ZINC001070412481 784004072 /nfs/dbraw/zinc/00/40/72/784004072.db2.gz AXKGWDWXCPYABT-HOCLYGCPSA-N 1 1 347.438 0.882 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCF)C1 ZINC001070412481 784004077 /nfs/dbraw/zinc/00/40/77/784004077.db2.gz AXKGWDWXCPYABT-HOCLYGCPSA-N 1 1 347.438 0.882 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn3ncccc23)C1 ZINC001070412916 784007059 /nfs/dbraw/zinc/00/70/59/784007059.db2.gz OBWGYBMRBBRCNW-ZDUSSCGKSA-N 1 1 349.398 0.805 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn3ccncc23)C1 ZINC001070413118 784008384 /nfs/dbraw/zinc/00/83/84/784008384.db2.gz UDQFPNRDRNCSNP-ZDUSSCGKSA-N 1 1 349.398 0.805 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001070420281 784028827 /nfs/dbraw/zinc/02/88/27/784028827.db2.gz VHFUBWLIXKCJMZ-JSGCOSHPSA-N 1 1 346.435 0.415 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1 ZINC001070424640 784039763 /nfs/dbraw/zinc/03/97/63/784039763.db2.gz QIITTWRCLXQWRN-YUELXQCFSA-N 1 1 334.420 0.399 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1[nH]cnc1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070454392 784121133 /nfs/dbraw/zinc/12/11/33/784121133.db2.gz YOGNAKRFYLCNQZ-CYBMUJFWSA-N 1 1 341.419 0.872 20 30 ECEDMO Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cn(C)cn2)co1 ZINC001070476200 784157921 /nfs/dbraw/zinc/15/79/21/784157921.db2.gz BTFXOXGTGHPBCX-DIOULYMOSA-N 1 1 342.403 0.960 20 30 ECEDMO C=C(C)CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001070946008 784189742 /nfs/dbraw/zinc/18/97/42/784189742.db2.gz LVKVEINTGXWGSZ-MRXNPFEDSA-N 1 1 336.480 0.697 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC001070947198 784193451 /nfs/dbraw/zinc/19/34/51/784193451.db2.gz MGYYZZUQFXNOMW-GJZGRUSLSA-N 1 1 336.436 0.223 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC001070948556 784197330 /nfs/dbraw/zinc/19/73/30/784197330.db2.gz RDAWORPMMZMAMG-CABCVRRESA-N 1 1 336.436 0.366 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC001070948556 784197337 /nfs/dbraw/zinc/19/73/37/784197337.db2.gz RDAWORPMMZMAMG-CABCVRRESA-N 1 1 336.436 0.366 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC001070948439 784197680 /nfs/dbraw/zinc/19/76/80/784197680.db2.gz MKEOFWWIGXOIKO-CABCVRRESA-N 1 1 336.436 0.223 20 30 ECEDMO CC(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951199 784204772 /nfs/dbraw/zinc/20/47/72/784204772.db2.gz DTVFPQOYHYBBKE-UHFFFAOYSA-N 1 1 331.420 0.806 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC(=O)NCC[N@H+](CC3CC3)CC2)c1 ZINC001070951307 784205923 /nfs/dbraw/zinc/20/59/23/784205923.db2.gz IZOMQDCHIQWYCO-UHFFFAOYSA-N 1 1 329.404 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC001070951632 784206146 /nfs/dbraw/zinc/20/61/46/784206146.db2.gz UJMQSFWWFPHPCL-UHFFFAOYSA-N 1 1 348.451 0.354 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC001070951632 784206150 /nfs/dbraw/zinc/20/61/50/784206150.db2.gz UJMQSFWWFPHPCL-UHFFFAOYSA-N 1 1 348.451 0.354 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC001070951632 784206156 /nfs/dbraw/zinc/20/61/56/784206156.db2.gz UJMQSFWWFPHPCL-UHFFFAOYSA-N 1 1 348.451 0.354 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001070955053 784215702 /nfs/dbraw/zinc/21/57/02/784215702.db2.gz IDQCTUKNBYBASV-CQSZACIVSA-N 1 1 337.420 0.166 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001070955053 784215708 /nfs/dbraw/zinc/21/57/08/784215708.db2.gz IDQCTUKNBYBASV-CQSZACIVSA-N 1 1 337.420 0.166 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956279 784220319 /nfs/dbraw/zinc/22/03/19/784220319.db2.gz KFDMZHCIJIUISZ-UHFFFAOYSA-N 1 1 327.388 0.174 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956279 784220323 /nfs/dbraw/zinc/22/03/23/784220323.db2.gz KFDMZHCIJIUISZ-UHFFFAOYSA-N 1 1 327.388 0.174 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@](C)(O)C2CC2)CC1 ZINC001070956091 784220407 /nfs/dbraw/zinc/22/04/07/784220407.db2.gz HIOBZIRUUFGVGM-SFHVURJKSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2CCC(O)CC2)CC1 ZINC001070958453 784227222 /nfs/dbraw/zinc/22/72/22/784227222.db2.gz AHSMIDVISGXDKN-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C2CCC(O)CC2)CC1 ZINC001070958453 784227229 /nfs/dbraw/zinc/22/72/29/784227229.db2.gz AHSMIDVISGXDKN-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1c1cn(C)cn1 ZINC001070530519 784234919 /nfs/dbraw/zinc/23/49/19/784234919.db2.gz YZMVUIULSYVXDL-GXTWGEPZSA-N 1 1 344.419 0.633 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001070963525 784244659 /nfs/dbraw/zinc/24/46/59/784244659.db2.gz VGXHGIHMLWYGBJ-KRWDZBQOSA-N 1 1 348.491 0.533 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@]2(C)CCO[C@H]2C)CC1 ZINC001070984127 784321011 /nfs/dbraw/zinc/32/10/11/784321011.db2.gz VGQGBCJNJNQBBK-MAUKXSAKSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@]2(C)CCO[C@H]2C)CC1 ZINC001070984127 784321019 /nfs/dbraw/zinc/32/10/19/784321019.db2.gz VGQGBCJNJNQBBK-MAUKXSAKSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)C(F)F)CC1 ZINC001070998571 784363570 /nfs/dbraw/zinc/36/35/70/784363570.db2.gz IUNBJDJAJUETFL-UHFFFAOYSA-N 1 1 329.391 0.952 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)C(F)F)CC1 ZINC001070998571 784363579 /nfs/dbraw/zinc/36/35/79/784363579.db2.gz IUNBJDJAJUETFL-UHFFFAOYSA-N 1 1 329.391 0.952 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cn2ccc(C)n2)CC1 ZINC001071000298 784372986 /nfs/dbraw/zinc/37/29/86/784372986.db2.gz WZNCYSLHQCQQMV-UHFFFAOYSA-N 1 1 347.463 0.808 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001071009358 784398696 /nfs/dbraw/zinc/39/86/96/784398696.db2.gz MOERHBFSBSZTES-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001071009358 784398703 /nfs/dbraw/zinc/39/87/03/784398703.db2.gz MOERHBFSBSZTES-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ncccn2)CC1 ZINC001071009329 784399043 /nfs/dbraw/zinc/39/90/43/784399043.db2.gz LMSSHTDNSLXXHQ-UHFFFAOYSA-N 1 1 345.447 0.636 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCc2ncccn2)CC1 ZINC001071009329 784399052 /nfs/dbraw/zinc/39/90/52/784399052.db2.gz LMSSHTDNSLXXHQ-UHFFFAOYSA-N 1 1 345.447 0.636 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnnn2C)n1 ZINC001070596801 784407951 /nfs/dbraw/zinc/40/79/51/784407951.db2.gz ZUOKVPYWUBWOJD-STQMWFEESA-N 1 1 345.407 0.539 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C2=CCOCC2)n1 ZINC001070602686 784420521 /nfs/dbraw/zinc/42/05/21/784420521.db2.gz XTYDDYMJRUMFSM-JKSUJKDBSA-N 1 1 344.415 0.891 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CC3CC3)CC2)cn1 ZINC001071016111 784424915 /nfs/dbraw/zinc/42/49/15/784424915.db2.gz AGRTTXWMCJBXOI-UHFFFAOYSA-N 1 1 340.427 0.737 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CC3CC3)CC2)cn1 ZINC001071016111 784424918 /nfs/dbraw/zinc/42/49/18/784424918.db2.gz AGRTTXWMCJBXOI-UHFFFAOYSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc(C)c[nH]2)n1 ZINC001070605682 784427207 /nfs/dbraw/zinc/42/72/07/784427207.db2.gz WNJKAYHXFLYUKW-UONOGXRCSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ccn(C)n2)n1 ZINC001070605904 784428565 /nfs/dbraw/zinc/42/85/65/784428565.db2.gz AVQJHCJJXNNFGO-UONOGXRCSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2csc(C)n2)CC1 ZINC001071019236 784434859 /nfs/dbraw/zinc/43/48/59/784434859.db2.gz AEROFTALOUNZHJ-UHFFFAOYSA-N 1 1 348.472 0.668 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2csc(C)n2)CC1 ZINC001071019236 784434864 /nfs/dbraw/zinc/43/48/64/784434864.db2.gz AEROFTALOUNZHJ-UHFFFAOYSA-N 1 1 348.472 0.668 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001071021892 784444447 /nfs/dbraw/zinc/44/44/47/784444447.db2.gz LCTQQNNTQBBSFC-CALCHBBNSA-N 1 1 348.491 0.533 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cn2ccnc2)CC1 ZINC001071025387 784454746 /nfs/dbraw/zinc/45/47/46/784454746.db2.gz DLQFMBCTZNRZPS-UHFFFAOYSA-N 1 1 333.436 0.500 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001070633858 784468242 /nfs/dbraw/zinc/46/82/42/784468242.db2.gz YZBWQUAJWZCTHV-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001071052560 784485665 /nfs/dbraw/zinc/48/56/65/784485665.db2.gz CRDZQXHGQSEFRT-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO Cn1cncc1[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC#N ZINC001070710573 784579835 /nfs/dbraw/zinc/57/98/35/784579835.db2.gz HSWKTYAVZJOBTF-RRFJBIMHSA-N 1 1 330.436 0.169 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1 ZINC001070721103 784595547 /nfs/dbraw/zinc/59/55/47/784595547.db2.gz OLOPKFPANAZCII-OAGGEKHMSA-N 1 1 344.463 0.702 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001070729556 784612319 /nfs/dbraw/zinc/61/23/19/784612319.db2.gz QOMPNEZTJZZYAB-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001070730699 784616881 /nfs/dbraw/zinc/61/68/81/784616881.db2.gz PPPLIQFGKMQNFU-OAHLLOKOSA-N 1 1 332.404 0.339 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001070732134 784622909 /nfs/dbraw/zinc/62/29/09/784622909.db2.gz WUHFYJFLTUQUOB-LSDHHAIUSA-N 1 1 337.464 0.862 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)O1 ZINC001071167161 784644432 /nfs/dbraw/zinc/64/44/32/784644432.db2.gz UTYVTOGJCFAMAB-KSSFIOAISA-N 1 1 333.432 0.180 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)O1 ZINC001071167161 784644438 /nfs/dbraw/zinc/64/44/38/784644438.db2.gz UTYVTOGJCFAMAB-KSSFIOAISA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(N(C)C)cn1)C[C@H](C)O2 ZINC001071168966 784646377 /nfs/dbraw/zinc/64/63/77/784646377.db2.gz KFZGJRVNDJYXNN-KBXCAEBGSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(N(C)C)cn1)C[C@H](C)O2 ZINC001071168966 784646378 /nfs/dbraw/zinc/64/63/78/784646378.db2.gz KFZGJRVNDJYXNN-KBXCAEBGSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C3CCC3)nn1)C[C@@H](C)O2 ZINC001071168767 784646442 /nfs/dbraw/zinc/64/64/42/784646442.db2.gz HIFWOKHNBXJCAY-KDOFPFPSSA-N 1 1 343.431 0.942 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C3CCC3)nn1)C[C@@H](C)O2 ZINC001071168767 784646443 /nfs/dbraw/zinc/64/64/43/784646443.db2.gz HIFWOKHNBXJCAY-KDOFPFPSSA-N 1 1 343.431 0.942 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070758323 784659263 /nfs/dbraw/zinc/65/92/63/784659263.db2.gz YIHYYENSNSZCTO-PBHICJAKSA-N 1 1 334.420 0.626 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cc(OC)no1)C[C@@H](C)O2 ZINC001071173806 784660672 /nfs/dbraw/zinc/66/06/72/784660672.db2.gz NVURPFOCGHJEOE-RDTXWAMCSA-N 1 1 347.415 0.941 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3ccncc13)C[C@H](C)O2 ZINC001071175694 784665559 /nfs/dbraw/zinc/66/55/59/784665559.db2.gz IZPVVVFEYSZODT-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3ccncc13)C[C@H](C)O2 ZINC001071175694 784665563 /nfs/dbraw/zinc/66/55/63/784665563.db2.gz IZPVVVFEYSZODT-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@@H](C)O2 ZINC001071178533 784673192 /nfs/dbraw/zinc/67/31/92/784673192.db2.gz RBKHRWXWTHUFMZ-RDTXWAMCSA-N 1 1 344.415 0.109 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@H](C)O2 ZINC001071178926 784674870 /nfs/dbraw/zinc/67/48/70/784674870.db2.gz YHOMATQEISLHHA-KBXCAEBGSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(=O)Nc1ccccc1)C[C@H](C)O2 ZINC001071186158 784690785 /nfs/dbraw/zinc/69/07/85/784690785.db2.gz RFDJFIFIFOHJAG-KXBFYZLASA-N 1 1 341.411 0.950 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc3n[nH]nc31)C[C@@H](C)O2 ZINC001071190207 784697259 /nfs/dbraw/zinc/69/72/59/784697259.db2.gz VPYMGROBTFOLMV-PXAZEXFGSA-N 1 1 342.403 0.844 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@@H](C)O2 ZINC001071191146 784699826 /nfs/dbraw/zinc/69/98/26/784699826.db2.gz AXVFSLXQMZEQAB-KDOFPFPSSA-N 1 1 346.431 0.662 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@H](C)O2 ZINC001071191302 784701606 /nfs/dbraw/zinc/70/16/06/784701606.db2.gz DWGMAOSGLWXEKK-SJCJKPOMSA-N 1 1 333.388 0.870 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@@H](C)O2 ZINC001071191495 784701934 /nfs/dbraw/zinc/70/19/34/784701934.db2.gz GZSFRTYRSCDRJT-KDOFPFPSSA-N 1 1 344.415 0.109 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@@H](C)O2 ZINC001071193027 784705690 /nfs/dbraw/zinc/70/56/90/784705690.db2.gz VKYMHVKHLABUTI-DYVFJYSZSA-N 1 1 332.404 0.272 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@@H](C)O2 ZINC001071195137 784712286 /nfs/dbraw/zinc/71/22/86/784712286.db2.gz SFYMPARPKUFWDE-PBHICJAKSA-N 1 1 331.420 0.166 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001071196511 784714468 /nfs/dbraw/zinc/71/44/68/784714468.db2.gz CWYGQJQQERDZPI-KDOFPFPSSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001071196511 784714474 /nfs/dbraw/zinc/71/44/74/784714474.db2.gz CWYGQJQQERDZPI-KDOFPFPSSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@H](C)O2 ZINC001071199696 784721103 /nfs/dbraw/zinc/72/11/03/784721103.db2.gz OVIBVTGNKDXMBL-SUMWQHHRSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@H](C)O2 ZINC001071201573 784723395 /nfs/dbraw/zinc/72/33/95/784723395.db2.gz GZQBDDLOMHAXDJ-GUYCJALGSA-N 1 1 332.404 0.651 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@@H](C)O2 ZINC001071201867 784724508 /nfs/dbraw/zinc/72/45/08/784724508.db2.gz MDSPGRLQOILXHP-PXAZEXFGSA-N 1 1 332.404 0.982 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](Cc3ccccc3C#N)C2)O1 ZINC001071207046 784737192 /nfs/dbraw/zinc/73/71/92/784737192.db2.gz UESOIWWRXCNYPH-SCLBCKFNSA-N 1 1 342.399 0.235 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](Cc3ccccc3C#N)C2)O1 ZINC001071207046 784737196 /nfs/dbraw/zinc/73/71/96/784737196.db2.gz UESOIWWRXCNYPH-SCLBCKFNSA-N 1 1 342.399 0.235 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COC1CCOCC1)C[C@H](C)O2 ZINC001071215405 784753396 /nfs/dbraw/zinc/75/33/96/784753396.db2.gz BCRRUVRARRBIDA-YJBOKZPZSA-N 1 1 336.432 0.507 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cnnn1)C[C@H](C)O2 ZINC001071222432 784774492 /nfs/dbraw/zinc/77/44/92/784774492.db2.gz BWJGXOGHFDQWIW-RDJZCZTQSA-N 1 1 348.451 0.721 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC)nn1)C[C@@H](C)O2 ZINC001071224968 784779942 /nfs/dbraw/zinc/77/99/42/784779942.db2.gz DBCMUVNNHJFESI-RHSMWYFYSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@H](C)O2 ZINC001071225306 784780133 /nfs/dbraw/zinc/78/01/33/784780133.db2.gz IUQPMPAPNDQKLG-UGSOOPFHSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@H](C)O2 ZINC001071225305 784781002 /nfs/dbraw/zinc/78/10/02/784781002.db2.gz IUQPMPAPNDQKLG-SCLBCKFNSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC3CC3)nn1)C[C@@H](C)O2 ZINC001071226084 784783952 /nfs/dbraw/zinc/78/39/52/784783952.db2.gz UWDDPEWQOREVML-KDOFPFPSSA-N 1 1 343.431 0.627 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC3CC3)nn1)C[C@@H](C)O2 ZINC001071226084 784783960 /nfs/dbraw/zinc/78/39/60/784783960.db2.gz UWDDPEWQOREVML-KDOFPFPSSA-N 1 1 343.431 0.627 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@H](C)O2 ZINC001071226397 784785416 /nfs/dbraw/zinc/78/54/16/784785416.db2.gz ZOSAISNXCIWWKM-SCLBCKFNSA-N 1 1 344.415 0.442 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@@H](C)O2 ZINC001071229826 784791623 /nfs/dbraw/zinc/79/16/23/784791623.db2.gz AQSPUHUTIAMXOJ-DNVCBOLYSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@H](C)O2 ZINC001071230735 784793375 /nfs/dbraw/zinc/79/33/75/784793375.db2.gz KCQRBSKLZDVPDM-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@H](C)O2 ZINC001071233519 784797674 /nfs/dbraw/zinc/79/76/74/784797674.db2.gz KBJJBOMOUMSXDL-SUMWQHHRSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@H](C)O2 ZINC001071233519 784797677 /nfs/dbraw/zinc/79/76/77/784797677.db2.gz KBJJBOMOUMSXDL-SUMWQHHRSA-N 1 1 332.404 0.367 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cnc1C)C[C@@H](C)O2 ZINC001071234311 784800718 /nfs/dbraw/zinc/80/07/18/784800718.db2.gz WZNROJCWSYWMHM-RDTXWAMCSA-N 1 1 330.432 0.976 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@@H](C)O2 ZINC001071235778 784802546 /nfs/dbraw/zinc/80/25/46/784802546.db2.gz KCZLJZAVMJZMLF-KDOFPFPSSA-N 1 1 341.415 0.991 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(F)F)C1 ZINC001070899139 784805656 /nfs/dbraw/zinc/80/56/56/784805656.db2.gz ODVHBMMPHPXRHT-TUAOUCFPSA-N 1 1 329.347 0.934 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(F)F)C1 ZINC001070899139 784805663 /nfs/dbraw/zinc/80/56/63/784805663.db2.gz ODVHBMMPHPXRHT-TUAOUCFPSA-N 1 1 329.347 0.934 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cncnc1CC)C[C@@H](C)O2 ZINC001071241132 784814806 /nfs/dbraw/zinc/81/48/06/784814806.db2.gz PDJOGEUUOXRMJO-RDTXWAMCSA-N 1 1 328.416 0.978 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncnc1CC)C[C@@H](C)O2 ZINC001071241132 784814809 /nfs/dbraw/zinc/81/48/09/784814809.db2.gz PDJOGEUUOXRMJO-RDTXWAMCSA-N 1 1 328.416 0.978 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c(C)n[nH]c1C)C[C@H](C)O2 ZINC001071241100 784815744 /nfs/dbraw/zinc/81/57/44/784815744.db2.gz OVNHCFNFGBBTAP-UGSOOPFHSA-N 1 1 330.432 0.894 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)C[C@@H](C)O2 ZINC001071246583 784827911 /nfs/dbraw/zinc/82/79/11/784827911.db2.gz XTQZMVOCGWDALP-FZKQIMNGSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)C[C@@H](C)O2 ZINC001071246583 784827921 /nfs/dbraw/zinc/82/79/21/784827921.db2.gz XTQZMVOCGWDALP-FZKQIMNGSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)C[C@@H](C)O2 ZINC001071246592 784828614 /nfs/dbraw/zinc/82/86/14/784828614.db2.gz XXVOAGYLSIIXFO-ACJLOTCBSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)C[C@@H](C)O2 ZINC001071246592 784828623 /nfs/dbraw/zinc/82/86/23/784828623.db2.gz XXVOAGYLSIIXFO-ACJLOTCBSA-N 1 1 342.399 0.119 20 30 ECEDMO CC#CCN1CCN([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C(=O)C1 ZINC001071258457 784862714 /nfs/dbraw/zinc/86/27/14/784862714.db2.gz HVRINFGNLHQADK-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C(=O)C1 ZINC001071272159 784906723 /nfs/dbraw/zinc/90/67/23/784906723.db2.gz HKZRXDBRPGTLJM-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CCC=C)CO2 ZINC001068750823 791067375 /nfs/dbraw/zinc/06/73/75/791067375.db2.gz IYFWBJSJKJHOSJ-HOTGVXAUSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CCC=C)CO2 ZINC001068750823 791067386 /nfs/dbraw/zinc/06/73/86/791067386.db2.gz IYFWBJSJKJHOSJ-HOTGVXAUSA-N 1 1 345.443 0.536 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001071340470 784979470 /nfs/dbraw/zinc/97/94/70/784979470.db2.gz PEJGPJNNHCRWJG-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)CC[C@H]1C ZINC001071828448 785179062 /nfs/dbraw/zinc/17/90/62/785179062.db2.gz OSDXXWGBXVWZMP-KGLIPLIRSA-N 1 1 330.432 0.739 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1C ZINC001071862041 785234750 /nfs/dbraw/zinc/23/47/50/785234750.db2.gz UUUZXWACZMXMAQ-QWHCGFSZSA-N 1 1 330.392 0.046 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCn3cccn3)C2)nn1 ZINC001071884130 785270366 /nfs/dbraw/zinc/27/03/66/785270366.db2.gz YEEHICAWZAVTNL-LSDHHAIUSA-N 1 1 343.435 0.944 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cccc(OCC(N)=O)c2)CC[C@@H]1C ZINC001071541521 785274542 /nfs/dbraw/zinc/27/45/42/785274542.db2.gz ALSXIJPHKKKIFR-DZGCQCFKSA-N 1 1 329.400 0.767 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@H]1C ZINC001071889762 785275925 /nfs/dbraw/zinc/27/59/25/785275925.db2.gz CAXWRPXYLOJWPH-HUUCEWRRSA-N 1 1 348.451 0.724 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@@H]1C ZINC001071889760 785276452 /nfs/dbraw/zinc/27/64/52/785276452.db2.gz CAXWRPXYLOJWPH-GJZGRUSLSA-N 1 1 348.451 0.724 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C ZINC001071548240 785283904 /nfs/dbraw/zinc/28/39/04/785283904.db2.gz CIGYXMUJEPKARE-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC[C@H]1C ZINC001071896500 785290109 /nfs/dbraw/zinc/29/01/09/785290109.db2.gz GLRYGSBHLKKWHE-ZIAGYGMSSA-N 1 1 341.415 0.937 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071922893 785342204 /nfs/dbraw/zinc/34/22/04/785342204.db2.gz ZCRGOJJRZONZNH-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC001071622620 785408451 /nfs/dbraw/zinc/40/84/51/785408451.db2.gz MFNVFCMLLYCYPD-WCQYABFASA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC001071622620 785408456 /nfs/dbraw/zinc/40/84/56/785408456.db2.gz MFNVFCMLLYCYPD-WCQYABFASA-N 1 1 339.417 0.533 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@@H]1C ZINC001071968760 785438192 /nfs/dbraw/zinc/43/81/92/785438192.db2.gz WVTYXVYQJCQVHC-KBPBESRZSA-N 1 1 333.436 0.536 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1C ZINC001071989055 785485452 /nfs/dbraw/zinc/48/54/52/785485452.db2.gz NKCKPCQOLCNSDF-NEPJUHHUSA-N 1 1 330.392 0.576 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)N(C)C)C2)nc1 ZINC001071998475 785501616 /nfs/dbraw/zinc/50/16/16/785501616.db2.gz JGGBGSVBBMACFS-ZFWWWQNUSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)N(C)C)C2)nc1 ZINC001071998475 785501626 /nfs/dbraw/zinc/50/16/26/785501626.db2.gz JGGBGSVBBMACFS-ZFWWWQNUSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001072096607 785661975 /nfs/dbraw/zinc/66/19/75/785661975.db2.gz BMHIZGGFOHRBLV-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001072098425 785666465 /nfs/dbraw/zinc/66/64/65/785666465.db2.gz YVYYKYRHUNHOQK-HIFRSBDPSA-N 1 1 332.404 0.195 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)c1 ZINC001072287696 785987359 /nfs/dbraw/zinc/98/73/59/785987359.db2.gz ZTILFNFKWFFNPQ-YOEHRIQHSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)c1 ZINC001072287694 785987391 /nfs/dbraw/zinc/98/73/91/785987391.db2.gz ZTILFNFKWFFNPQ-RHSMWYFYSA-N 1 1 342.443 0.980 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSCC#N)C1 ZINC001072476988 786240925 /nfs/dbraw/zinc/24/09/25/786240925.db2.gz XRBBXXJBBFHDHW-KGLIPLIRSA-N 1 1 340.493 0.938 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C)cn1 ZINC001072479278 786246933 /nfs/dbraw/zinc/24/69/33/786246933.db2.gz VCEWVIAHRUVLER-RHSMWYFYSA-N 1 1 342.443 0.981 20 30 ECEDMO Cc1csc(=O)n1CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072553041 786357724 /nfs/dbraw/zinc/35/77/24/786357724.db2.gz VRNRNCANTRTSCF-LBPRGKRZSA-N 1 1 334.445 0.912 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC(C)CC1)C2 ZINC001072559314 786366399 /nfs/dbraw/zinc/36/63/99/786366399.db2.gz XFGBUCHYRHZLEJ-OAHLLOKOSA-N 1 1 332.448 0.939 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@@H]21 ZINC001074260150 786535574 /nfs/dbraw/zinc/53/55/74/786535574.db2.gz UJLMTQUYJSTETP-LSDHHAIUSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@@H]21 ZINC001074260150 786535576 /nfs/dbraw/zinc/53/55/76/786535576.db2.gz UJLMTQUYJSTETP-LSDHHAIUSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@H]21 ZINC001074271578 786558617 /nfs/dbraw/zinc/55/86/17/786558617.db2.gz OKDSPIRWBUBCLE-CVEARBPZSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@H]21 ZINC001074271578 786558624 /nfs/dbraw/zinc/55/86/24/786558624.db2.gz OKDSPIRWBUBCLE-CVEARBPZSA-N 1 1 346.431 0.905 20 30 ECEDMO C=C(C)CCC(=O)N1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001073552656 786568475 /nfs/dbraw/zinc/56/84/75/786568475.db2.gz FCWLNSHTYFCGOT-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(Cl)CN1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073562472 786611294 /nfs/dbraw/zinc/61/12/94/786611294.db2.gz VTLLTJJRIPQERA-ZIAGYGMSSA-N 1 1 331.844 0.277 20 30 ECEDMO C=C(Cl)CN1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073562472 786611297 /nfs/dbraw/zinc/61/12/97/786611297.db2.gz VTLLTJJRIPQERA-ZIAGYGMSSA-N 1 1 331.844 0.277 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001073569067 786634648 /nfs/dbraw/zinc/63/46/48/786634648.db2.gz JRGLRKWGVVUFBM-UHFFFAOYSA-N 1 1 346.475 0.095 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001074317526 786662293 /nfs/dbraw/zinc/66/22/93/786662293.db2.gz RCZBGKSQISFBJW-KBPBESRZSA-N 1 1 332.404 0.982 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001074317526 786662297 /nfs/dbraw/zinc/66/22/97/786662297.db2.gz RCZBGKSQISFBJW-KBPBESRZSA-N 1 1 332.404 0.982 20 30 ECEDMO Cn1nccc1C[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073577344 786662324 /nfs/dbraw/zinc/66/23/24/786662324.db2.gz YYDYEPZQDLUFDG-MRXNPFEDSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1nccc1C[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073577344 786662328 /nfs/dbraw/zinc/66/23/28/786662328.db2.gz YYDYEPZQDLUFDG-MRXNPFEDSA-N 1 1 342.403 0.641 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 ZINC001074322335 786671781 /nfs/dbraw/zinc/67/17/81/786671781.db2.gz SVIAGROKPJVDSM-JKSUJKDBSA-N 1 1 334.420 0.677 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 ZINC001074322335 786671791 /nfs/dbraw/zinc/67/17/91/786671791.db2.gz SVIAGROKPJVDSM-JKSUJKDBSA-N 1 1 334.420 0.677 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001073598264 786736485 /nfs/dbraw/zinc/73/64/85/786736485.db2.gz USBMUEVTASXCII-OAHLLOKOSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001073598264 786736492 /nfs/dbraw/zinc/73/64/92/786736492.db2.gz USBMUEVTASXCII-OAHLLOKOSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001073605436 786760413 /nfs/dbraw/zinc/76/04/13/786760413.db2.gz KPMQAJCNQZKTGX-RHSMWYFYSA-N 1 1 345.447 0.630 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001073605436 786760423 /nfs/dbraw/zinc/76/04/23/786760423.db2.gz KPMQAJCNQZKTGX-RHSMWYFYSA-N 1 1 345.447 0.630 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001073605843 786760597 /nfs/dbraw/zinc/76/05/97/786760597.db2.gz WLJXCAVHPZEMNB-CYBMUJFWSA-N 1 1 336.440 0.825 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001073607933 786762502 /nfs/dbraw/zinc/76/25/02/786762502.db2.gz APJOCGNJPNSNFU-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001073607933 786762505 /nfs/dbraw/zinc/76/25/05/786762505.db2.gz APJOCGNJPNSNFU-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc3[nH]cnc32)C1 ZINC001073611211 786768494 /nfs/dbraw/zinc/76/84/94/786768494.db2.gz QJXJKCXDEGXJEG-ZDUSSCGKSA-N 1 1 327.388 0.802 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001073634574 786829681 /nfs/dbraw/zinc/82/96/81/786829681.db2.gz SQNPRLROINYMHB-LBPRGKRZSA-N 1 1 344.371 0.691 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001073634574 786829691 /nfs/dbraw/zinc/82/96/91/786829691.db2.gz SQNPRLROINYMHB-LBPRGKRZSA-N 1 1 344.371 0.691 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001073640162 786847220 /nfs/dbraw/zinc/84/72/20/786847220.db2.gz XZDRMCWTRPMKHX-ZDUSSCGKSA-N 1 1 344.337 0.899 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001073640162 786847225 /nfs/dbraw/zinc/84/72/25/786847225.db2.gz XZDRMCWTRPMKHX-ZDUSSCGKSA-N 1 1 344.337 0.899 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]21 ZINC001074405210 786877417 /nfs/dbraw/zinc/87/74/17/786877417.db2.gz NYWBSYBXMPCJHF-HOTGVXAUSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]21 ZINC001074405210 786877422 /nfs/dbraw/zinc/87/74/22/786877422.db2.gz NYWBSYBXMPCJHF-HOTGVXAUSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@H]21 ZINC001074405211 786877866 /nfs/dbraw/zinc/87/78/66/786877866.db2.gz NYWBSYBXMPCJHF-HZPDHXFCSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@H]21 ZINC001074405211 786877877 /nfs/dbraw/zinc/87/78/77/786877877.db2.gz NYWBSYBXMPCJHF-HZPDHXFCSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001073657901 786894836 /nfs/dbraw/zinc/89/48/36/786894836.db2.gz RDUYQHLEGFAQFN-CYBMUJFWSA-N 1 1 327.388 0.802 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001073661178 786906607 /nfs/dbraw/zinc/90/66/07/786906607.db2.gz XTWKPXRUPRMQQN-INIZCTEOSA-N 1 1 343.427 0.969 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001073661178 786906613 /nfs/dbraw/zinc/90/66/13/786906613.db2.gz XTWKPXRUPRMQQN-INIZCTEOSA-N 1 1 343.427 0.969 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2COC)C1 ZINC001073668145 786920524 /nfs/dbraw/zinc/92/05/24/786920524.db2.gz XJZFKGJSNIFIBX-CQSZACIVSA-N 1 1 336.436 0.963 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001073670696 786925152 /nfs/dbraw/zinc/92/51/52/786925152.db2.gz LWOADAWIKVFNIN-UYSNPLJNSA-N 1 1 335.448 0.509 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073677286 786947876 /nfs/dbraw/zinc/94/78/76/786947876.db2.gz CIIARLGSMIEXCZ-ZDUSSCGKSA-N 1 1 342.399 0.420 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nnc3ccccc3n2)C1 ZINC001073696895 786990896 /nfs/dbraw/zinc/99/08/96/786990896.db2.gz RZBYDLQIRBLJHJ-CQSZACIVSA-N 1 1 339.399 0.869 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2nnc3ccccc3n2)C1 ZINC001073696895 786990904 /nfs/dbraw/zinc/99/09/04/786990904.db2.gz RZBYDLQIRBLJHJ-CQSZACIVSA-N 1 1 339.399 0.869 20 30 ECEDMO CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700512 787000560 /nfs/dbraw/zinc/00/05/60/787000560.db2.gz OGMSMPDVMMTZOI-VIHIWDAPSA-N 1 1 347.459 0.080 20 30 ECEDMO CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700512 787000570 /nfs/dbraw/zinc/00/05/70/787000570.db2.gz OGMSMPDVMMTZOI-VIHIWDAPSA-N 1 1 347.459 0.080 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001073703376 787006241 /nfs/dbraw/zinc/00/62/41/787006241.db2.gz MYCUKZHYVMGTLB-GJZGRUSLSA-N 1 1 333.436 0.624 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001073712596 787027015 /nfs/dbraw/zinc/02/70/15/787027015.db2.gz GVOURYPSYJOTEP-LSDHHAIUSA-N 1 1 346.431 0.378 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001073712596 787027020 /nfs/dbraw/zinc/02/70/20/787027020.db2.gz GVOURYPSYJOTEP-LSDHHAIUSA-N 1 1 346.431 0.378 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001073712969 787029129 /nfs/dbraw/zinc/02/91/29/787029129.db2.gz QKOAOSHRBTWWOH-CYBMUJFWSA-N 1 1 345.403 0.338 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001073713551 787031490 /nfs/dbraw/zinc/03/14/90/787031490.db2.gz DSFVJMZGIOYSQP-MRXNPFEDSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001073713551 787031495 /nfs/dbraw/zinc/03/14/95/787031495.db2.gz DSFVJMZGIOYSQP-MRXNPFEDSA-N 1 1 340.387 0.116 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)CCCO2)cc1 ZINC001073723366 787063220 /nfs/dbraw/zinc/06/32/20/787063220.db2.gz HSLDXALCEWQMKL-WMLDXEAASA-N 1 1 343.427 0.623 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)CCCO2)cc1 ZINC001073723366 787063232 /nfs/dbraw/zinc/06/32/32/787063232.db2.gz HSLDXALCEWQMKL-WMLDXEAASA-N 1 1 343.427 0.623 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001073726161 787067562 /nfs/dbraw/zinc/06/75/62/787067562.db2.gz FNZOUIHQWXSTGP-CQSZACIVSA-N 1 1 329.404 0.975 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001073745564 787109998 /nfs/dbraw/zinc/10/99/98/787109998.db2.gz BDHZWORJNBOLEC-CABCVRRESA-N 1 1 347.463 0.703 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)OC)CCCO2)c1 ZINC001073763233 787151969 /nfs/dbraw/zinc/15/19/69/787151969.db2.gz YVYXFMBNNNLTKN-RHSMWYFYSA-N 1 1 331.416 0.919 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2ncn3C)C1 ZINC001073762923 787152490 /nfs/dbraw/zinc/15/24/90/787152490.db2.gz QJBQYNHSIKAFOP-CQSZACIVSA-N 1 1 341.415 0.812 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001074520274 787160281 /nfs/dbraw/zinc/16/02/81/787160281.db2.gz SNQIZUGBLCRCES-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001074520438 787160421 /nfs/dbraw/zinc/16/04/21/787160421.db2.gz WGHRJUIOQWNSJT-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001073796255 787218251 /nfs/dbraw/zinc/21/82/51/787218251.db2.gz KZGFLHBVCGFQQP-DOTOQJQBSA-N 1 1 332.375 0.970 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001073796255 787218256 /nfs/dbraw/zinc/21/82/56/787218256.db2.gz KZGFLHBVCGFQQP-DOTOQJQBSA-N 1 1 332.375 0.970 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)OC)CCCO2)nn1 ZINC001073807417 787238440 /nfs/dbraw/zinc/23/84/40/787238440.db2.gz OGIAPMVXBGUXOS-ZIAGYGMSSA-N 1 1 337.424 0.320 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001073815468 787250269 /nfs/dbraw/zinc/25/02/69/787250269.db2.gz BKJLLGJXXQBRRC-CQSZACIVSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001073815468 787250274 /nfs/dbraw/zinc/25/02/74/787250274.db2.gz BKJLLGJXXQBRRC-CQSZACIVSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001073821645 787267207 /nfs/dbraw/zinc/26/72/07/787267207.db2.gz OJQPBKZJFCNSDW-INIZCTEOSA-N 1 1 347.415 0.760 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001074564374 787268230 /nfs/dbraw/zinc/26/82/30/787268230.db2.gz QFPGBQWNGOYDRF-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001074565714 787272075 /nfs/dbraw/zinc/27/20/75/787272075.db2.gz RTSXJKFTRIFRQK-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CC(F)F)[C@@H]1C ZINC001074570109 787287090 /nfs/dbraw/zinc/28/70/90/787287090.db2.gz NUWGLMXVMXDKGP-DCAQKATOSA-N 1 1 326.351 0.782 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3cnon3)C2)cc1 ZINC001073828049 787291220 /nfs/dbraw/zinc/29/12/20/787291220.db2.gz FMKKLHDWLIIFTN-HNNXBMFYSA-N 1 1 341.371 0.962 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074579387 787310567 /nfs/dbraw/zinc/31/05/67/787310567.db2.gz FLQAVPLZBKCSRZ-HZPDHXFCSA-N 1 1 349.475 0.456 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C)c1nnnn1C ZINC001074589130 787339211 /nfs/dbraw/zinc/33/92/11/787339211.db2.gz OHGOEBXKMZOURI-SCVCMEIPSA-N 1 1 328.380 0.364 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nc[nH]c3C2)C1 ZINC001073847626 787345803 /nfs/dbraw/zinc/34/58/03/787345803.db2.gz FQNJUHAIUYMRIM-LSDHHAIUSA-N 1 1 330.432 0.745 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC001073847626 787345807 /nfs/dbraw/zinc/34/58/07/787345807.db2.gz FQNJUHAIUYMRIM-LSDHHAIUSA-N 1 1 330.432 0.745 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC001073847626 787345809 /nfs/dbraw/zinc/34/58/09/787345809.db2.gz FQNJUHAIUYMRIM-LSDHHAIUSA-N 1 1 330.432 0.745 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001073847675 787346185 /nfs/dbraw/zinc/34/61/85/787346185.db2.gz HCMCNEKXINMYCN-CABCVRRESA-N 1 1 347.419 0.084 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001073847675 787346191 /nfs/dbraw/zinc/34/61/91/787346191.db2.gz HCMCNEKXINMYCN-CABCVRRESA-N 1 1 347.419 0.084 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001074593305 787348605 /nfs/dbraw/zinc/34/86/05/787348605.db2.gz NSWXVODITVFVQV-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001073871975 787411241 /nfs/dbraw/zinc/41/12/41/787411241.db2.gz NFXUVKSVKMNUGB-HOTGVXAUSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccnc2N(C)C)C1 ZINC001073889621 787445269 /nfs/dbraw/zinc/44/52/69/787445269.db2.gz VWGYNJQLLROULF-OAHLLOKOSA-N 1 1 330.432 0.992 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001073889559 787445551 /nfs/dbraw/zinc/44/55/51/787445551.db2.gz UHYFWJSCFJFFSP-CQSZACIVSA-N 1 1 329.400 0.730 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001073889559 787445554 /nfs/dbraw/zinc/44/55/54/787445554.db2.gz UHYFWJSCFJFFSP-CQSZACIVSA-N 1 1 329.400 0.730 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001073896046 787465192 /nfs/dbraw/zinc/46/51/92/787465192.db2.gz JMSRDSGAQZAXDX-CVEARBPZSA-N 1 1 325.453 0.490 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(CC#CC)CCCO2)CC1 ZINC001073899590 787475354 /nfs/dbraw/zinc/47/53/54/787475354.db2.gz YDFGWJVCAATGAT-GOSISDBHSA-N 1 1 331.460 0.562 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001073902041 787482791 /nfs/dbraw/zinc/48/27/91/787482791.db2.gz QDDQZINIAGRTTL-GJZGRUSLSA-N 1 1 333.436 0.624 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001073902040 787483216 /nfs/dbraw/zinc/48/32/16/787483216.db2.gz QDDQZINIAGRTTL-CABCVRRESA-N 1 1 333.436 0.624 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001073908534 787496059 /nfs/dbraw/zinc/49/60/59/787496059.db2.gz NSNTTXISHDFLPA-ABHNRTSZSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001073914907 787520170 /nfs/dbraw/zinc/52/01/70/787520170.db2.gz IPTRHUCXMMFNJE-LBPRGKRZSA-N 1 1 329.356 0.987 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001073914907 787520175 /nfs/dbraw/zinc/52/01/75/787520175.db2.gz IPTRHUCXMMFNJE-LBPRGKRZSA-N 1 1 329.356 0.987 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)C[C@@H]1C ZINC001073972380 787612663 /nfs/dbraw/zinc/61/26/63/787612663.db2.gz WJNOVFWWFCJLOU-GXTWGEPZSA-N 1 1 349.460 0.802 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001074026762 787716302 /nfs/dbraw/zinc/71/63/02/787716302.db2.gz FWTVYLNYSUPLDD-WBVHZDCISA-N 1 1 349.475 0.864 20 30 ECEDMO C=CC[N@@H+]1CCn2c(nnc2C2CCN(C(=O)c3cnon3)CC2)C1 ZINC001074111477 787901531 /nfs/dbraw/zinc/90/15/31/787901531.db2.gz TVXSVQBXLYRRCL-UHFFFAOYSA-N 1 1 343.391 0.683 20 30 ECEDMO C=CC[N@H+]1CCn2c(nnc2C2CCN(C(=O)c3cnon3)CC2)C1 ZINC001074111477 787901537 /nfs/dbraw/zinc/90/15/37/787901537.db2.gz TVXSVQBXLYRRCL-UHFFFAOYSA-N 1 1 343.391 0.683 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCCNC2=O)C3)c[nH]1 ZINC001072639823 788483069 /nfs/dbraw/zinc/48/30/69/788483069.db2.gz OKVHTWKRJSEPES-CQSZACIVSA-N 1 1 327.388 0.313 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)C1=O ZINC001072644597 788493100 /nfs/dbraw/zinc/49/31/00/788493100.db2.gz KWHAIHQAWCYBOW-AWEZNQCLSA-N 1 1 327.388 0.265 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC001072737673 788674769 /nfs/dbraw/zinc/67/47/69/788674769.db2.gz WLFNBRCLVUFFOF-WFASDCNBSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)NC)C2 ZINC001072814367 788870220 /nfs/dbraw/zinc/87/02/20/788870220.db2.gz BNEVQPOFWXLCRR-AWEZNQCLSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C2)C1 ZINC001072852533 788964097 /nfs/dbraw/zinc/96/40/97/788964097.db2.gz FXYPOYGISMHPAX-UHFFFAOYSA-N 1 1 336.457 0.369 20 30 ECEDMO C#CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)CN3CCOCC3)C2)C1 ZINC001072852994 788966236 /nfs/dbraw/zinc/96/62/36/788966236.db2.gz WHDSGOCPCGBCHZ-UHFFFAOYSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)CN3CCOCC3)C2)C1 ZINC001072852994 788966241 /nfs/dbraw/zinc/96/62/41/788966241.db2.gz WHDSGOCPCGBCHZ-UHFFFAOYSA-N 1 1 333.476 0.902 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N2CCOCC2)C3)C1 ZINC001072964509 789174200 /nfs/dbraw/zinc/17/42/00/789174200.db2.gz ZCAHDFBSWFBFIJ-UHFFFAOYSA-N 1 1 347.459 0.736 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)N2CCOCC2)C3)C1 ZINC001072964509 789174202 /nfs/dbraw/zinc/17/42/02/789174202.db2.gz ZCAHDFBSWFBFIJ-UHFFFAOYSA-N 1 1 347.459 0.736 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073027472 789300498 /nfs/dbraw/zinc/30/04/98/789300498.db2.gz JXKMTBUUGNKYEL-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001075389131 789316446 /nfs/dbraw/zinc/31/64/46/789316446.db2.gz YAVWCMDRBRYOLL-HOTGVXAUSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cccnc1 ZINC001075409729 789335536 /nfs/dbraw/zinc/33/55/36/789335536.db2.gz BOFJKLHXOKBPPP-HOCLYGCPSA-N 1 1 328.416 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cccnc1 ZINC001075409729 789335543 /nfs/dbraw/zinc/33/55/43/789335543.db2.gz BOFJKLHXOKBPPP-HOCLYGCPSA-N 1 1 328.416 0.804 20 30 ECEDMO C#CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001075413098 789340122 /nfs/dbraw/zinc/34/01/22/789340122.db2.gz IPIQAIRMNGCNLK-GDBMZVCRSA-N 1 1 331.420 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C2)C1 ZINC001073058554 789366805 /nfs/dbraw/zinc/36/68/05/789366805.db2.gz VWAZBPIXNFVSMJ-UHFFFAOYSA-N 1 1 325.372 0.112 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC001073112351 789462470 /nfs/dbraw/zinc/46/24/70/789462470.db2.gz YOWBMWUAAIMFMD-ZDUSSCGKSA-N 1 1 344.415 0.668 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2 ZINC001073112351 789462473 /nfs/dbraw/zinc/46/24/73/789462473.db2.gz YOWBMWUAAIMFMD-ZDUSSCGKSA-N 1 1 344.415 0.668 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001073158089 789547976 /nfs/dbraw/zinc/54/79/76/789547976.db2.gz LNLKGYOQYZMFAX-AWEZNQCLSA-N 1 1 341.839 0.521 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001073158089 789547982 /nfs/dbraw/zinc/54/79/82/789547982.db2.gz LNLKGYOQYZMFAX-AWEZNQCLSA-N 1 1 341.839 0.521 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)c1 ZINC001075658452 789624092 /nfs/dbraw/zinc/62/40/92/789624092.db2.gz CWDDFXAJGCNHPO-GOEBONIOSA-N 1 1 341.415 0.655 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)c1 ZINC001075658452 789624098 /nfs/dbraw/zinc/62/40/98/789624098.db2.gz CWDDFXAJGCNHPO-GOEBONIOSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001073346823 789748599 /nfs/dbraw/zinc/74/85/99/789748599.db2.gz DKJWOQKKHZGXTN-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(CC)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001069377371 789785103 /nfs/dbraw/zinc/78/51/03/789785103.db2.gz ZPZBLDPNCVGWBL-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073438834 789841800 /nfs/dbraw/zinc/84/18/00/789841800.db2.gz CGONFUKPQXVWRR-ZDUSSCGKSA-N 1 1 327.450 0.179 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N3CCOCC3)C2)C1 ZINC001073449055 789855420 /nfs/dbraw/zinc/85/54/20/789855420.db2.gz LMUWPZCZNNBUDV-QGZVFWFLSA-N 1 1 331.460 0.655 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2C[C@H](Nc3ccnc(C#N)n3)C(C)(C)C2)CC[N@H+]1C ZINC001069625795 789938929 /nfs/dbraw/zinc/93/89/29/789938929.db2.gz APLXMXPQXHZHNP-MCIONIFRSA-N 1 1 342.447 0.759 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2=CCN(c3nccnc3C#N)CC2)CC[N@H+]1C ZINC001069833868 790065752 /nfs/dbraw/zinc/06/57/52/790065752.db2.gz PHQAJGBEADBRBU-UKRRQHHQSA-N 1 1 340.431 0.941 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N3)c2C1 ZINC001069854873 790102700 /nfs/dbraw/zinc/10/27/00/790102700.db2.gz BSBZQOLUJOSJJP-CQSZACIVSA-N 1 1 331.420 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N3)c2C1 ZINC001069854873 790102705 /nfs/dbraw/zinc/10/27/05/790102705.db2.gz BSBZQOLUJOSJJP-CQSZACIVSA-N 1 1 331.420 0.560 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)c2C1 ZINC001069877135 790139454 /nfs/dbraw/zinc/13/94/54/790139454.db2.gz GDNKNUADDISVCQ-DLBZAZTESA-N 1 1 341.459 0.965 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2cnccc2C)[C@@H](n2ccnn2)C1 ZINC001069948376 790227763 /nfs/dbraw/zinc/22/77/63/790227763.db2.gz ZIGPCXLLCZJZOL-CVEARBPZSA-N 1 1 326.404 0.752 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2cnccc2C)[C@@H](n2ccnn2)C1 ZINC001069948376 790227765 /nfs/dbraw/zinc/22/77/65/790227765.db2.gz ZIGPCXLLCZJZOL-CVEARBPZSA-N 1 1 326.404 0.752 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H](n2ccnn2)C1 ZINC001069950536 790230298 /nfs/dbraw/zinc/23/02/98/790230298.db2.gz ZOLUEPJWHXXZAN-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H](n2ccnn2)C1 ZINC001069950536 790230302 /nfs/dbraw/zinc/23/03/02/790230302.db2.gz ZOLUEPJWHXXZAN-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nc[nH]c3n2)[C@@H](n2ccnn2)C1 ZINC001069952380 790233179 /nfs/dbraw/zinc/23/31/79/790233179.db2.gz HZJVIKDYGDHMPJ-KGLIPLIRSA-N 1 1 338.375 0.391 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3nc[nH]c3n2)[C@@H](n2ccnn2)C1 ZINC001069952380 790233185 /nfs/dbraw/zinc/23/31/85/790233185.db2.gz HZJVIKDYGDHMPJ-KGLIPLIRSA-N 1 1 338.375 0.391 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001069965732 790252168 /nfs/dbraw/zinc/25/21/68/790252168.db2.gz CNRRMRACLUWGGS-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069968036 790255119 /nfs/dbraw/zinc/25/51/19/790255119.db2.gz BZQIUPAKPCVUSQ-CABCVRRESA-N 1 1 341.419 0.803 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069968036 790255125 /nfs/dbraw/zinc/25/51/25/790255125.db2.gz BZQIUPAKPCVUSQ-CABCVRRESA-N 1 1 341.419 0.803 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001068859761 791282386 /nfs/dbraw/zinc/28/23/86/791282386.db2.gz VMMGTENNNFXDNC-HNNXBMFYSA-N 1 1 347.459 0.616 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2nccnc2C#N)[C@@H]1C ZINC001068862012 791290225 /nfs/dbraw/zinc/29/02/25/791290225.db2.gz QLZBKLRHOYSTBO-WCQYABFASA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001068862554 791291374 /nfs/dbraw/zinc/29/13/74/791291374.db2.gz FGJBXSITXSIGRN-OAHLLOKOSA-N 1 1 342.399 0.091 20 30 ECEDMO C[C@@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068870773 791313306 /nfs/dbraw/zinc/31/33/06/791313306.db2.gz GZUWDZAOURGJHW-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)CO2 ZINC001068917674 791416767 /nfs/dbraw/zinc/41/67/67/791416767.db2.gz ZIAKRRGNFSDAAT-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](Nc2nccnc2C#N)C[C@H]1C ZINC001069107731 791707949 /nfs/dbraw/zinc/70/79/49/791707949.db2.gz QURGAWJZZPNNJK-YPMHNXCESA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)C[C@@H]1C ZINC001069176528 791759742 /nfs/dbraw/zinc/75/97/42/791759742.db2.gz UWPMHGWRXBZRHI-AAEUAGOBSA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)C[C@H]1C ZINC001069176531 791759762 /nfs/dbraw/zinc/75/97/62/791759762.db2.gz UWPMHGWRXBZRHI-YPMHNXCESA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3cncc(C#N)n3)C2)C1 ZINC001066675171 791965520 /nfs/dbraw/zinc/96/55/20/791965520.db2.gz CTYDBMBODUDEIB-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3ncccc3C#N)C2)C1 ZINC001066675128 791966339 /nfs/dbraw/zinc/96/63/39/791966339.db2.gz BNDFSXCCKWFFNQ-GDBMZVCRSA-N 1 1 343.431 0.934 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001066675881 791970406 /nfs/dbraw/zinc/97/04/06/791970406.db2.gz VSNWUGSAEKUJTM-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(C(=O)C4CCC4)C3)CC2)nn1 ZINC001066694990 792009492 /nfs/dbraw/zinc/00/94/92/792009492.db2.gz XQWULERZYDLOOD-INIZCTEOSA-N 1 1 340.431 0.871 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066697707 792013963 /nfs/dbraw/zinc/01/39/63/792013963.db2.gz ATTUADFXYPGXHS-PBHICJAKSA-N 1 1 338.415 0.836 20 30 ECEDMO CCCC(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066697810 792015498 /nfs/dbraw/zinc/01/54/98/792015498.db2.gz DBAFYCWMKNQPIF-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)CC2)C1 ZINC001066736422 792069191 /nfs/dbraw/zinc/06/91/91/792069191.db2.gz MZMALXYTXHYOGZ-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3nccnc3C#N)CC2)C1 ZINC001066736422 792069205 /nfs/dbraw/zinc/06/92/05/792069205.db2.gz MZMALXYTXHYOGZ-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1OCC[C@H]1C ZINC001067709366 792165071 /nfs/dbraw/zinc/16/50/71/792165071.db2.gz OZLQCXSYEJTZNZ-IKGGRYGDSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1OCC[C@H]1C ZINC001067709366 792165075 /nfs/dbraw/zinc/16/50/75/792165075.db2.gz OZLQCXSYEJTZNZ-IKGGRYGDSA-N 1 1 349.475 0.816 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)c1cncc(C#N)n1 ZINC001067762840 792246126 /nfs/dbraw/zinc/24/61/26/792246126.db2.gz KBTATXYLXRXKPL-HIFRSBDPSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(CNc3cncc(C#N)n3)C2)C1 ZINC001067888976 792427607 /nfs/dbraw/zinc/42/76/07/792427607.db2.gz JYGYAUBXLSUHFH-IYXRBSQSSA-N 1 1 328.420 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNc2ccc(C#N)nn2)C1 ZINC001067898198 792442689 /nfs/dbraw/zinc/44/26/89/792442689.db2.gz NMWPVLNHABAULX-BCLQGDPASA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNc2ccc(C#N)nn2)C1 ZINC001067898198 792442697 /nfs/dbraw/zinc/44/26/97/792442697.db2.gz NMWPVLNHABAULX-BCLQGDPASA-N 1 1 338.415 0.753 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001067002032 792546392 /nfs/dbraw/zinc/54/63/92/792546392.db2.gz FEFHMEPTYODDFE-UHFFFAOYSA-N 1 1 325.453 0.980 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)CC2(C)C)C1 ZINC001068102471 792674498 /nfs/dbraw/zinc/67/44/98/792674498.db2.gz QBHGJHQEQUUSST-LSDHHAIUSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)CC2(C)C)C1 ZINC001068102471 792674504 /nfs/dbraw/zinc/67/45/04/792674504.db2.gz QBHGJHQEQUUSST-LSDHHAIUSA-N 1 1 343.431 0.615 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H](Nc2ccc(C#N)nn2)C1 ZINC001067109530 792706019 /nfs/dbraw/zinc/70/60/19/792706019.db2.gz UOYAQEYRKQDGMG-SMDDNHRTSA-N 1 1 325.376 0.812 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067115922 792712740 /nfs/dbraw/zinc/71/27/40/792712740.db2.gz BHHHNKLXGTYQOJ-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001067115923 792713072 /nfs/dbraw/zinc/71/30/72/792713072.db2.gz BHZIVINFGQXEEY-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1ccc(C#N)cn1 ZINC001067117615 792716281 /nfs/dbraw/zinc/71/62/81/792716281.db2.gz HQZBGXBPIYCIRU-ZBFHGGJFSA-N 1 1 343.431 0.934 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001068348633 793097338 /nfs/dbraw/zinc/09/73/38/793097338.db2.gz VZAAXJWSKLKGAL-LSDHHAIUSA-N 1 1 335.448 0.590 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001068357208 793119619 /nfs/dbraw/zinc/11/96/19/793119619.db2.gz SWYSZJQVPAOHAD-OAHLLOKOSA-N 1 1 333.432 0.180 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNc2ccnc(C#N)n2)C[C@H]1C ZINC001068359462 793123382 /nfs/dbraw/zinc/12/33/82/793123382.db2.gz RAAGQTGZELJZEO-TZMCWYRMSA-N 1 1 339.403 0.624 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001068389281 793182401 /nfs/dbraw/zinc/18/24/01/793182401.db2.gz BFQPNEYLMYPXAM-HOTGVXAUSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)C(C)(C)[N@H+](C)CC)CCO2 ZINC001068409277 793251221 /nfs/dbraw/zinc/25/12/21/793251221.db2.gz ZRRFXTLPASQZCK-UHFFFAOYSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC001267440694 837420972 /nfs/dbraw/zinc/42/09/72/837420972.db2.gz WGWBJFDZONTGMM-CYBMUJFWSA-N 1 1 341.415 0.671 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001267465452 837469964 /nfs/dbraw/zinc/46/99/64/837469964.db2.gz GGMQJEJHOPHAGF-CVEARBPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cc(C)cn2)C1 ZINC001267510022 837599341 /nfs/dbraw/zinc/59/93/41/837599341.db2.gz ZUPNQYRPZFMHPP-JKSUJKDBSA-N 1 1 347.463 0.710 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C(=O)C(C)(C)C)C1 ZINC001267513149 837605127 /nfs/dbraw/zinc/60/51/27/837605127.db2.gz DRPNAYIOQGCVAT-ZIAGYGMSSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1n[nH]cc1C)c1ccccc1 ZINC001267522187 837675737 /nfs/dbraw/zinc/67/57/37/837675737.db2.gz ZTYAUVCBIZNWHY-OAHLLOKOSA-N 1 1 339.399 0.528 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001267530762 837703327 /nfs/dbraw/zinc/70/33/27/837703327.db2.gz ZPZPJDGDRNDYDZ-LUKYLMHMSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)CNC(=O)c2ccncc2)C1 ZINC001267531616 837705434 /nfs/dbraw/zinc/70/54/34/837705434.db2.gz VKYRISQEXCNQMD-OAHLLOKOSA-N 1 1 328.416 0.663 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CN2CCCS2(=O)=O)C1 ZINC001267542307 837729314 /nfs/dbraw/zinc/72/93/14/837729314.db2.gz TZVPGZRWODHVSY-OAHLLOKOSA-N 1 1 341.477 0.358 20 30 ECEDMO COCc1ccc(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)o1 ZINC001267543552 837730451 /nfs/dbraw/zinc/73/04/51/837730451.db2.gz DUPAJZWXYRUSMD-ZDUSSCGKSA-N 1 1 348.403 0.508 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267548195 837744335 /nfs/dbraw/zinc/74/43/35/837744335.db2.gz AAFFSXZCBWXHIA-ZIAGYGMSSA-N 1 1 336.436 0.864 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)/C=C/c2ccco2)C1 ZINC001267550113 837749015 /nfs/dbraw/zinc/74/90/15/837749015.db2.gz PAQCEUORPXZNIF-XGACYXMMSA-N 1 1 330.388 0.761 20 30 ECEDMO Cc1cnc(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cc1C ZINC001267552035 837755503 /nfs/dbraw/zinc/75/55/03/837755503.db2.gz JUHXCSRLYHKQNA-HNNXBMFYSA-N 1 1 343.431 0.780 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CCNC(=O)Cc3ccon3)C2)C1=O ZINC001267553713 837756377 /nfs/dbraw/zinc/75/63/77/837756377.db2.gz ACPAYWFHOZNVSX-GOEBONIOSA-N 1 1 346.431 0.832 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC001267555510 837762423 /nfs/dbraw/zinc/76/24/23/837762423.db2.gz HCJUEYZLCQIUED-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)C2C=CC=CC=C2)C1 ZINC001267558464 837767501 /nfs/dbraw/zinc/76/75/01/837767501.db2.gz AVBSTDLHDDPRGR-HNNXBMFYSA-N 1 1 328.416 0.753 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001267560811 837771052 /nfs/dbraw/zinc/77/10/52/837771052.db2.gz NEBRTGOQZZQAPQ-NSHDSACASA-N 1 1 325.390 0.002 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2Cc3ccccc32)C1 ZINC001267564063 837778812 /nfs/dbraw/zinc/77/88/12/837778812.db2.gz LNOFLNAKISKTKC-YOEHRIQHSA-N 1 1 340.427 0.794 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001267564471 837779339 /nfs/dbraw/zinc/77/93/39/837779339.db2.gz BLPALCPUPZDFIW-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001267567212 837786460 /nfs/dbraw/zinc/78/64/60/837786460.db2.gz MPOABMQBUPCUKN-HNNXBMFYSA-N 1 1 327.428 0.785 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001267573581 837814971 /nfs/dbraw/zinc/81/49/71/837814971.db2.gz VADSVAXPUVDBFL-GOSISDBHSA-N 1 1 348.491 0.344 20 30 ECEDMO CC#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001267573581 837814979 /nfs/dbraw/zinc/81/49/79/837814979.db2.gz VADSVAXPUVDBFL-GOSISDBHSA-N 1 1 348.491 0.344 20 30 ECEDMO CN(CCN1CCN(CC#N)CC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267575952 837827310 /nfs/dbraw/zinc/82/73/10/837827310.db2.gz OJBATJBNXXGXBT-SJORKVTESA-N 1 1 333.480 0.603 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)[C@]23CCO[C@@H]2CCCC3)CC1 ZINC001266267014 835583499 /nfs/dbraw/zinc/58/34/99/835583499.db2.gz LBTYLDZUSWHQKU-SJLPKXTDSA-N 1 1 334.464 0.983 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)[C@H](OC)c2cnn(C)c2)CC1 ZINC001266269196 835586712 /nfs/dbraw/zinc/58/67/12/835586712.db2.gz BRGNYILSMKYOSJ-QGZVFWFLSA-N 1 1 347.463 0.255 20 30 ECEDMO CC(C)[C@@H](C)C(=O)NCCC[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC001266273817 835596249 /nfs/dbraw/zinc/59/62/49/835596249.db2.gz SLCMIYNDTNQGJI-OAHLLOKOSA-N 1 1 337.468 0.042 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)c2c[nH]c3ncccc23)CC1 ZINC001266277615 835602721 /nfs/dbraw/zinc/60/27/21/835602721.db2.gz JEGUHAWIUCTGGB-UHFFFAOYSA-N 1 1 326.404 0.824 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C(=O)Nc2ccccc2)C1=O ZINC001266293069 835638051 /nfs/dbraw/zinc/63/80/51/835638051.db2.gz HKZOUSYMTWBDLJ-HNNXBMFYSA-N 1 1 344.415 0.460 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C(=O)Nc2ccccc2)C1=O ZINC001266293069 835638053 /nfs/dbraw/zinc/63/80/53/835638053.db2.gz HKZOUSYMTWBDLJ-HNNXBMFYSA-N 1 1 344.415 0.460 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)CNC(=O)c2ccc(C)s2)CC1 ZINC001266297379 835646964 /nfs/dbraw/zinc/64/69/64/835646964.db2.gz OLWNFNBDQRPYBW-UHFFFAOYSA-N 1 1 348.472 0.153 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)/C=C\c2ccc[nH]2)C1 ZINC001266318079 835687274 /nfs/dbraw/zinc/68/72/74/835687274.db2.gz YKYHKBMXQZLRNU-MWWKQMNYSA-N 1 1 343.431 0.981 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)/C=C\c2ccc[nH]2)C1 ZINC001266318079 835687278 /nfs/dbraw/zinc/68/72/78/835687278.db2.gz YKYHKBMXQZLRNU-MWWKQMNYSA-N 1 1 343.431 0.981 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(OC)nc2C)C1 ZINC001266319489 835689221 /nfs/dbraw/zinc/68/92/21/835689221.db2.gz MRNNERQXEZYJCE-OAHLLOKOSA-N 1 1 332.404 0.524 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CC[N@H+](Cc2cnc(OC)nc2C)C1 ZINC001266319489 835689222 /nfs/dbraw/zinc/68/92/22/835689222.db2.gz MRNNERQXEZYJCE-OAHLLOKOSA-N 1 1 332.404 0.524 20 30 ECEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001266322784 835697202 /nfs/dbraw/zinc/69/72/02/835697202.db2.gz NWMGEJLAEAJOOE-HNNXBMFYSA-N 1 1 348.447 0.484 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2nccc3occc32)C1 ZINC001266331446 835713650 /nfs/dbraw/zinc/71/36/50/835713650.db2.gz QKYPANXYROWLCM-OLZOCXBDSA-N 1 1 340.383 0.770 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2nccc3occc32)C1 ZINC001266331446 835713657 /nfs/dbraw/zinc/71/36/57/835713657.db2.gz QKYPANXYROWLCM-OLZOCXBDSA-N 1 1 340.383 0.770 20 30 ECEDMO CNC(=O)C1(C(=O)NCC[N@H+](C)CC#Cc2ccc(F)cc2)CC1 ZINC001266338154 835722173 /nfs/dbraw/zinc/72/21/73/835722173.db2.gz YBUCKLHBSRVAAL-UHFFFAOYSA-N 1 1 331.391 0.751 20 30 ECEDMO CNC(=O)C1(C(=O)NCC[N@@H+](C)CC#Cc2ccc(F)cc2)CC1 ZINC001266338154 835722181 /nfs/dbraw/zinc/72/21/81/835722181.db2.gz YBUCKLHBSRVAAL-UHFFFAOYSA-N 1 1 331.391 0.751 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001266344814 835733625 /nfs/dbraw/zinc/73/36/25/835733625.db2.gz MFLYFDXPCWWURU-RDTXWAMCSA-N 1 1 339.439 0.730 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001266344814 835733631 /nfs/dbraw/zinc/73/36/31/835733631.db2.gz MFLYFDXPCWWURU-RDTXWAMCSA-N 1 1 339.439 0.730 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cccc(C)c1C ZINC001266354622 835757890 /nfs/dbraw/zinc/75/78/90/835757890.db2.gz HHUCGNYEXRYYHD-UHFFFAOYSA-N 1 1 346.431 0.977 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cccc(C)c1C ZINC001266354622 835757898 /nfs/dbraw/zinc/75/78/98/835757898.db2.gz HHUCGNYEXRYYHD-UHFFFAOYSA-N 1 1 346.431 0.977 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cccnc2N(C)C)C1=O ZINC001266358344 835764695 /nfs/dbraw/zinc/76/46/95/835764695.db2.gz RCIBAFAZTAPVLB-HNNXBMFYSA-N 1 1 345.447 0.596 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cccnc2N(C)C)C1=O ZINC001266358344 835764698 /nfs/dbraw/zinc/76/46/98/835764698.db2.gz RCIBAFAZTAPVLB-HNNXBMFYSA-N 1 1 345.447 0.596 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001266367833 835779528 /nfs/dbraw/zinc/77/95/28/835779528.db2.gz NMXRZFQQNCKIKA-NSHDSACASA-N 1 1 346.387 0.886 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001266367833 835779536 /nfs/dbraw/zinc/77/95/36/835779536.db2.gz NMXRZFQQNCKIKA-NSHDSACASA-N 1 1 346.387 0.886 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@H+](CC)Cc1ccc2c(c1)nnn2C ZINC001266391093 835800345 /nfs/dbraw/zinc/80/03/45/835800345.db2.gz ZCKZHNARYQLUPG-AWEZNQCLSA-N 1 1 343.431 0.945 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001266393137 835800412 /nfs/dbraw/zinc/80/04/12/835800412.db2.gz WGQOKZWAXKUVHH-QGZVFWFLSA-N 1 1 347.463 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CC)CC(=O)N(C)CC2CC2)cn1 ZINC001266431672 835835348 /nfs/dbraw/zinc/83/53/48/835835348.db2.gz JORSCKGIWADZAO-UHFFFAOYSA-N 1 1 342.443 0.983 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC)CC(=O)N(C)CC2CC2)cn1 ZINC001266431672 835835355 /nfs/dbraw/zinc/83/53/55/835835355.db2.gz JORSCKGIWADZAO-UHFFFAOYSA-N 1 1 342.443 0.983 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cn(C)nc1C(C)C ZINC001266437646 835841372 /nfs/dbraw/zinc/84/13/72/835841372.db2.gz HMAKXYGGGMKYQA-CQSZACIVSA-N 1 1 347.463 0.733 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cn(C)nc1C(C)C ZINC001266437646 835841376 /nfs/dbraw/zinc/84/13/76/835841376.db2.gz HMAKXYGGGMKYQA-CQSZACIVSA-N 1 1 347.463 0.733 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1ncc2n1CCCC2 ZINC001266437516 835841645 /nfs/dbraw/zinc/84/16/45/835841645.db2.gz BRQRSBFZQFZOBV-CQSZACIVSA-N 1 1 345.447 0.409 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1ncc2n1CCCC2 ZINC001266437516 835841653 /nfs/dbraw/zinc/84/16/53/835841653.db2.gz BRQRSBFZQFZOBV-CQSZACIVSA-N 1 1 345.447 0.409 20 30 ECEDMO Cc1cc(CC(=O)N2CCC[C@@H](C[N@H+](C)CC(=O)NCC#N)C2)no1 ZINC001266451515 835854930 /nfs/dbraw/zinc/85/49/30/835854930.db2.gz DCPOPCSCINNQNX-AWEZNQCLSA-N 1 1 347.419 0.336 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@H](C[N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001266456577 835858898 /nfs/dbraw/zinc/85/88/98/835858898.db2.gz ZQHNMEFFOPDTEZ-OAHLLOKOSA-N 1 1 343.493 0.365 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(=O)NC ZINC001266464833 835866045 /nfs/dbraw/zinc/86/60/45/835866045.db2.gz JJWMWRASVLCNEG-AWEZNQCLSA-N 1 1 336.436 0.791 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)NC ZINC001266464833 835866049 /nfs/dbraw/zinc/86/60/49/835866049.db2.gz JJWMWRASVLCNEG-AWEZNQCLSA-N 1 1 336.436 0.791 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C1(COC)CCOCC1 ZINC001266467970 835868355 /nfs/dbraw/zinc/86/83/55/835868355.db2.gz HENPTVHWPLFFTI-INIZCTEOSA-N 1 1 338.448 0.660 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C1(COC)CCOCC1 ZINC001266467970 835868363 /nfs/dbraw/zinc/86/83/63/835868363.db2.gz HENPTVHWPLFFTI-INIZCTEOSA-N 1 1 338.448 0.660 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001266468849 835872139 /nfs/dbraw/zinc/87/21/39/835872139.db2.gz BASIOSRSHFMTMJ-MRXNPFEDSA-N 1 1 330.432 0.664 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001266472485 835875927 /nfs/dbraw/zinc/87/59/27/835875927.db2.gz KNLWHMWWEBFUNH-OAHLLOKOSA-N 1 1 348.447 0.767 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1nc(C)cc1C ZINC001266474050 835877265 /nfs/dbraw/zinc/87/72/65/835877265.db2.gz GUGKCAATQNTVDU-MRXNPFEDSA-N 1 1 345.447 0.220 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1nc(C)cc1C ZINC001266474050 835877269 /nfs/dbraw/zinc/87/72/69/835877269.db2.gz GUGKCAATQNTVDU-MRXNPFEDSA-N 1 1 345.447 0.220 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001266492815 835892492 /nfs/dbraw/zinc/89/24/92/835892492.db2.gz XDZYYTUZIMRZDV-DZGCQCFKSA-N 1 1 329.466 0.615 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccoc2C)C1 ZINC001266499553 835901596 /nfs/dbraw/zinc/90/15/96/835901596.db2.gz CMALTDSCQXNJIP-CYBMUJFWSA-N 1 1 348.403 0.652 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccoc2C)C1 ZINC001266499553 835901611 /nfs/dbraw/zinc/90/16/11/835901611.db2.gz CMALTDSCQXNJIP-CYBMUJFWSA-N 1 1 348.403 0.652 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001266513605 835923535 /nfs/dbraw/zinc/92/35/35/835923535.db2.gz DANFPOQGWLAOMB-HZPDHXFCSA-N 1 1 349.475 0.912 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001266514671 835925700 /nfs/dbraw/zinc/92/57/00/835925700.db2.gz UKCNNJPOJIQFAV-AWEZNQCLSA-N 1 1 348.451 0.059 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001266517828 835929782 /nfs/dbraw/zinc/92/97/82/835929782.db2.gz OBCXCIAHVQSYJK-KGLIPLIRSA-N 1 1 343.431 0.019 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001266518340 835930510 /nfs/dbraw/zinc/93/05/10/835930510.db2.gz YZWSTBWIAZSUCV-KGLIPLIRSA-N 1 1 345.447 0.572 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ncc(C)cc2OC)C1 ZINC001266518362 835930805 /nfs/dbraw/zinc/93/08/05/835930805.db2.gz ZKCAMGLBGOPSAJ-CQSZACIVSA-N 1 1 346.431 0.753 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ncc(F)cc2F)C1 ZINC001266519969 835931932 /nfs/dbraw/zinc/93/19/32/835931932.db2.gz CIPYRBHGHXBDIZ-SNVBAGLBSA-N 1 1 337.330 0.051 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ncc(F)cc2F)C1 ZINC001266519969 835931942 /nfs/dbraw/zinc/93/19/42/835931942.db2.gz CIPYRBHGHXBDIZ-SNVBAGLBSA-N 1 1 337.330 0.051 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2CCC)C1 ZINC001266519935 835932013 /nfs/dbraw/zinc/93/20/13/835932013.db2.gz BTRJSYCAXBMOBS-ZDUSSCGKSA-N 1 1 333.436 0.716 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnc3ccccn23)C1 ZINC001266519814 835932296 /nfs/dbraw/zinc/93/22/96/835932296.db2.gz ABXSCDCPKBDSDN-CYBMUJFWSA-N 1 1 340.387 0.026 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnc3ccccn23)C1 ZINC001266519814 835932298 /nfs/dbraw/zinc/93/22/98/835932298.db2.gz ABXSCDCPKBDSDN-CYBMUJFWSA-N 1 1 340.387 0.026 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)ccc2OC)C1 ZINC001266523764 835939328 /nfs/dbraw/zinc/93/93/28/835939328.db2.gz UOSJJFJGVWTMII-ZDUSSCGKSA-N 1 1 347.390 0.635 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001266537012 835955214 /nfs/dbraw/zinc/95/52/14/835955214.db2.gz CFKIQVHJINVRJJ-ZDUSSCGKSA-N 1 1 332.466 0.450 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C#C)nc2)C1 ZINC001266544501 835965300 /nfs/dbraw/zinc/96/53/00/835965300.db2.gz CBKMUVITGSJKGB-HUUCEWRRSA-N 1 1 338.411 0.253 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 ZINC001266544395 835965669 /nfs/dbraw/zinc/96/56/69/835965669.db2.gz ANIFXJADYWYIIE-KBPBESRZSA-N 1 1 340.468 0.710 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)CNC(=O)CC(C)(C)C)C1 ZINC001266548955 835972032 /nfs/dbraw/zinc/97/20/32/835972032.db2.gz KSJILRZNHNZRSC-OAHLLOKOSA-N 1 1 337.464 0.627 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2nc(C)c(C)s2)C1 ZINC001266549125 835972212 /nfs/dbraw/zinc/97/22/12/835972212.db2.gz OCCKUUNBORCILN-TZMCWYRMSA-N 1 1 348.472 0.950 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)c1c(C)ccn1C ZINC001266558945 835986704 /nfs/dbraw/zinc/98/67/04/835986704.db2.gz WLIBHUWGTRGYSD-OAHLLOKOSA-N 1 1 332.448 0.913 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1c(C)[nH]nc1Cl ZINC001266562944 835991638 /nfs/dbraw/zinc/99/16/38/835991638.db2.gz UVLIUNDRRWCOMN-UHFFFAOYSA-N 1 1 339.827 0.563 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1c(C)[nH]nc1Cl ZINC001266562944 835991646 /nfs/dbraw/zinc/99/16/46/835991646.db2.gz UVLIUNDRRWCOMN-UHFFFAOYSA-N 1 1 339.827 0.563 20 30 ECEDMO N#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001039230760 836017616 /nfs/dbraw/zinc/01/76/16/836017616.db2.gz MCGGFFMAMJHIND-SJORKVTESA-N 1 1 334.464 0.935 20 30 ECEDMO C#CCCCC(=O)NCC[N@H+](C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001266590912 836022788 /nfs/dbraw/zinc/02/27/88/836022788.db2.gz SDRZQENFBRRCNV-AWEZNQCLSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCCCC(=O)NCC[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001266590912 836022800 /nfs/dbraw/zinc/02/28/00/836022800.db2.gz SDRZQENFBRRCNV-AWEZNQCLSA-N 1 1 326.462 0.805 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)C(C)(C)N1CCOCC1)C1CC1 ZINC001266616042 836051020 /nfs/dbraw/zinc/05/10/20/836051020.db2.gz ZUISCEUDKBUTRL-UHFFFAOYSA-N 1 1 337.464 0.328 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)Cc1ccc(C)nc1)C1CC1 ZINC001266619317 836054946 /nfs/dbraw/zinc/05/49/46/836054946.db2.gz IOHUTSVOUGHTRB-OAHLLOKOSA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)Cc1ccc(C)nc1)C1CC1 ZINC001266619317 836054961 /nfs/dbraw/zinc/05/49/61/836054961.db2.gz IOHUTSVOUGHTRB-OAHLLOKOSA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(=O)n(C)[nH]1 ZINC001266647856 836082745 /nfs/dbraw/zinc/08/27/45/836082745.db2.gz FJGWCUAZDPFPEN-GOOCMWNKSA-N 1 1 345.447 0.914 20 30 ECEDMO C#CCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(=O)n(C)[nH]1 ZINC001266647856 836082756 /nfs/dbraw/zinc/08/27/56/836082756.db2.gz FJGWCUAZDPFPEN-GOOCMWNKSA-N 1 1 345.447 0.914 20 30 ECEDMO COc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NCC#N)o1 ZINC001266653420 836089222 /nfs/dbraw/zinc/08/92/22/836089222.db2.gz GCUOQFLCXNZIRJ-YHWZYXNKSA-N 1 1 346.387 0.653 20 30 ECEDMO COc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NCC#N)o1 ZINC001266653420 836089228 /nfs/dbraw/zinc/08/92/28/836089228.db2.gz GCUOQFLCXNZIRJ-YHWZYXNKSA-N 1 1 346.387 0.653 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C(C)=O)C1 ZINC001266655551 836092036 /nfs/dbraw/zinc/09/20/36/836092036.db2.gz BDZYZVHFUAKLNU-IRXDYDNUSA-N 1 1 335.448 0.427 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001266737216 836219975 /nfs/dbraw/zinc/21/99/75/836219975.db2.gz NGUFBQCEQZQTSO-ZDUSSCGKSA-N 1 1 332.379 0.907 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001266737216 836219982 /nfs/dbraw/zinc/21/99/82/836219982.db2.gz NGUFBQCEQZQTSO-ZDUSSCGKSA-N 1 1 332.379 0.907 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc(C)cn2)C1 ZINC001266743643 836228764 /nfs/dbraw/zinc/22/87/64/836228764.db2.gz PKCJNJBJIDHVTO-OAHLLOKOSA-N 1 1 333.436 0.322 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cncnc2)C1 ZINC001266747180 836235914 /nfs/dbraw/zinc/23/59/14/836235914.db2.gz ORKUXCGXWUQNQO-KBPBESRZSA-N 1 1 331.420 0.609 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCCF)C1 ZINC001266757694 836253127 /nfs/dbraw/zinc/25/31/27/836253127.db2.gz GNZDDTDVLKBTAX-ZDUSSCGKSA-N 1 1 342.415 0.576 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCCF)C1 ZINC001266757694 836253137 /nfs/dbraw/zinc/25/31/37/836253137.db2.gz GNZDDTDVLKBTAX-ZDUSSCGKSA-N 1 1 342.415 0.576 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC001266764694 836268828 /nfs/dbraw/zinc/26/88/28/836268828.db2.gz UWSZNFNUVBLCLB-GFCCVEGCSA-N 1 1 344.419 0.369 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC001266764694 836268842 /nfs/dbraw/zinc/26/88/42/836268842.db2.gz UWSZNFNUVBLCLB-GFCCVEGCSA-N 1 1 344.419 0.369 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001266804087 836326999 /nfs/dbraw/zinc/32/69/99/836326999.db2.gz AYQYZHXNCSMKGM-QWHCGFSZSA-N 1 1 349.435 0.258 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)CCCOC)C1 ZINC001279518277 836344306 /nfs/dbraw/zinc/34/43/06/836344306.db2.gz HNXLTHVGSATBIC-SJLPKXTDSA-N 1 1 340.464 0.642 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)CCCOC)C1 ZINC001279518277 836344318 /nfs/dbraw/zinc/34/43/18/836344318.db2.gz HNXLTHVGSATBIC-SJLPKXTDSA-N 1 1 340.464 0.642 20 30 ECEDMO CN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@]1(C)CCC(=O)N1 ZINC001266830293 836355800 /nfs/dbraw/zinc/35/58/00/836355800.db2.gz VNHNUAQYIIHTFA-KRWDZBQOSA-N 1 1 332.379 0.914 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC(C)C ZINC001266840344 836366329 /nfs/dbraw/zinc/36/63/29/836366329.db2.gz SJRSQWIZRZOKIH-RHSMWYFYSA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC(C)C ZINC001266840344 836366333 /nfs/dbraw/zinc/36/63/33/836366333.db2.gz SJRSQWIZRZOKIH-RHSMWYFYSA-N 1 1 325.453 0.809 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001266895441 836446925 /nfs/dbraw/zinc/44/69/25/836446925.db2.gz OGAMVRODXWLIOL-KBPBESRZSA-N 1 1 332.404 0.250 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(C)C ZINC001266904774 836462864 /nfs/dbraw/zinc/46/28/64/836462864.db2.gz JLALSRQUPPTSBS-OJKRMQCYSA-N 1 1 348.447 0.337 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(C)C ZINC001266904774 836462871 /nfs/dbraw/zinc/46/28/71/836462871.db2.gz JLALSRQUPPTSBS-OJKRMQCYSA-N 1 1 348.447 0.337 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1ccc2cncn2c1C ZINC001266951182 836516463 /nfs/dbraw/zinc/51/64/63/836516463.db2.gz ZXPNQWXUZRWXEM-OLZOCXBDSA-N 1 1 341.415 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)CC[NH2+]Cc2nnc3n2CCOC3)cn1 ZINC001266992689 836575964 /nfs/dbraw/zinc/57/59/64/836575964.db2.gz OIBHVKQLWGYORQ-UHFFFAOYSA-N 1 1 340.387 0.046 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC1(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001299160869 836675640 /nfs/dbraw/zinc/67/56/40/836675640.db2.gz ZSRHZYNRNXDYIX-UHFFFAOYSA-N 1 1 335.448 0.523 20 30 ECEDMO CCCCO[C@@H](C)C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267099911 836769474 /nfs/dbraw/zinc/76/94/74/836769474.db2.gz FLBXMMXXTZDSKN-GJZGRUSLSA-N 1 1 338.452 0.754 20 30 ECEDMO CCCCO[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267099911 836769482 /nfs/dbraw/zinc/76/94/82/836769482.db2.gz FLBXMMXXTZDSKN-GJZGRUSLSA-N 1 1 338.452 0.754 20 30 ECEDMO COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2ccn(C)n2)C1 ZINC001267103891 836779124 /nfs/dbraw/zinc/77/91/24/836779124.db2.gz IFBCZGBUDYJIEP-QGZVFWFLSA-N 1 1 332.448 0.925 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCCCC)C1 ZINC001267106255 836786148 /nfs/dbraw/zinc/78/61/48/836786148.db2.gz PPOXKJJPEPMCAK-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCCCC)C1 ZINC001267106255 836786154 /nfs/dbraw/zinc/78/61/54/836786154.db2.gz PPOXKJJPEPMCAK-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001267108255 836791112 /nfs/dbraw/zinc/79/11/12/836791112.db2.gz NPKPTEXFXAZSKO-LBPRGKRZSA-N 1 1 333.392 0.021 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001267108255 836791115 /nfs/dbraw/zinc/79/11/15/836791115.db2.gz NPKPTEXFXAZSKO-LBPRGKRZSA-N 1 1 333.392 0.021 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@H]([N@H+](C)CCNS(C)(=O)=O)C1 ZINC001267112312 836800342 /nfs/dbraw/zinc/80/03/42/836800342.db2.gz XXZXIHFMXBXJJH-HNNXBMFYSA-N 1 1 343.493 0.652 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@H]([N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001267112312 836800354 /nfs/dbraw/zinc/80/03/54/836800354.db2.gz XXZXIHFMXBXJJH-HNNXBMFYSA-N 1 1 343.493 0.652 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001267112829 836802569 /nfs/dbraw/zinc/80/25/69/836802569.db2.gz YAWLZAHRGIDUBL-ZIAGYGMSSA-N 1 1 331.420 0.392 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1)c1cccnc1 ZINC001267113778 836803093 /nfs/dbraw/zinc/80/30/93/836803093.db2.gz RTTLPTSFLVHPCO-HOCLYGCPSA-N 1 1 343.431 0.748 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)c1cccnc1 ZINC001267113778 836803102 /nfs/dbraw/zinc/80/31/02/836803102.db2.gz RTTLPTSFLVHPCO-HOCLYGCPSA-N 1 1 343.431 0.748 20 30 ECEDMO C[C@@H](CCNC(=O)c1[nH]nc2c1CCCC2)[NH2+]CC(=O)NCC#N ZINC001267135002 836835609 /nfs/dbraw/zinc/83/56/09/836835609.db2.gz YUOAVTYQIABVLY-NSHDSACASA-N 1 1 332.408 0.026 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC2(F)F)CC1 ZINC001279583438 836841389 /nfs/dbraw/zinc/84/13/89/836841389.db2.gz YSYNIECXTKGLDM-CYBMUJFWSA-N 1 1 325.359 0.529 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC2(F)F)CC1 ZINC001279583438 836841395 /nfs/dbraw/zinc/84/13/95/836841395.db2.gz YSYNIECXTKGLDM-CYBMUJFWSA-N 1 1 325.359 0.529 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C#N)[nH]1 ZINC001267164023 836882937 /nfs/dbraw/zinc/88/29/37/836882937.db2.gz AJTCMVKBNLEYOB-AWEZNQCLSA-N 1 1 342.403 0.501 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001267175156 836914843 /nfs/dbraw/zinc/91/48/43/836914843.db2.gz PHHKRGNMNUYXJC-CABCVRRESA-N 1 1 329.448 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1nc(COC)no1 ZINC001267199995 836973361 /nfs/dbraw/zinc/97/33/61/836973361.db2.gz ATUUOYPYCWHTFQ-KGLIPLIRSA-N 1 1 349.435 0.423 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1nc(COC)no1 ZINC001267199995 836973365 /nfs/dbraw/zinc/97/33/65/836973365.db2.gz ATUUOYPYCWHTFQ-KGLIPLIRSA-N 1 1 349.435 0.423 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001267212783 837001903 /nfs/dbraw/zinc/00/19/03/837001903.db2.gz SVZAPPWGUMBGQE-LBPRGKRZSA-N 1 1 326.441 0.869 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001267212783 837001912 /nfs/dbraw/zinc/00/19/12/837001912.db2.gz SVZAPPWGUMBGQE-LBPRGKRZSA-N 1 1 326.441 0.869 20 30 ECEDMO C=CCC1(C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CCOCC1 ZINC001267227127 837027735 /nfs/dbraw/zinc/02/77/35/837027735.db2.gz DDLVDMNUXFXUAY-ZDUSSCGKSA-N 1 1 337.420 0.213 20 30 ECEDMO C=CCC1(C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)CCOCC1 ZINC001267227127 837027742 /nfs/dbraw/zinc/02/77/42/837027742.db2.gz DDLVDMNUXFXUAY-ZDUSSCGKSA-N 1 1 337.420 0.213 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnc(COC)s1 ZINC001267232984 837036951 /nfs/dbraw/zinc/03/69/51/837036951.db2.gz HEVZDVIIZQAEGZ-NSHDSACASA-N 1 1 338.433 0.089 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnc(COC)s1 ZINC001267232984 837036961 /nfs/dbraw/zinc/03/69/61/837036961.db2.gz HEVZDVIIZQAEGZ-NSHDSACASA-N 1 1 338.433 0.089 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C)n(C(C)C)n1 ZINC001267234148 837039245 /nfs/dbraw/zinc/03/92/45/837039245.db2.gz GKUKYSFTJOHUFA-CQSZACIVSA-N 1 1 333.436 0.572 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C)n(C(C)C)n1 ZINC001267234148 837039256 /nfs/dbraw/zinc/03/92/56/837039256.db2.gz GKUKYSFTJOHUFA-CQSZACIVSA-N 1 1 333.436 0.572 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1nc(C)n2ccccc12 ZINC001267244789 837057014 /nfs/dbraw/zinc/05/70/14/837057014.db2.gz QAXFBWNTAROMIY-UHFFFAOYSA-N 1 1 341.415 0.444 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1nc(C)n2ccccc12 ZINC001267244789 837057020 /nfs/dbraw/zinc/05/70/20/837057020.db2.gz QAXFBWNTAROMIY-UHFFFAOYSA-N 1 1 341.415 0.444 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001267251246 837069893 /nfs/dbraw/zinc/06/98/93/837069893.db2.gz ZRJNICYIJGEPNO-UHFFFAOYSA-N 1 1 330.388 0.970 20 30 ECEDMO COCC#CC[N@@H+](CCCNC(=O)c1ccc2n[nH]nc2n1)C(C)C ZINC001267265455 837101959 /nfs/dbraw/zinc/10/19/59/837101959.db2.gz OCKZIRGMKZMWGF-UHFFFAOYSA-N 1 1 344.419 0.833 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001267267001 837103124 /nfs/dbraw/zinc/10/31/24/837103124.db2.gz KGWBSHDUQXGENL-JSGCOSHPSA-N 1 1 336.436 0.919 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(N)=O ZINC001267267001 837103132 /nfs/dbraw/zinc/10/31/32/837103132.db2.gz KGWBSHDUQXGENL-JSGCOSHPSA-N 1 1 336.436 0.919 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC001267267002 837103983 /nfs/dbraw/zinc/10/39/83/837103983.db2.gz KGWBSHDUQXGENL-OCCSQVGLSA-N 1 1 336.436 0.919 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(N)=O ZINC001267267002 837103985 /nfs/dbraw/zinc/10/39/85/837103985.db2.gz KGWBSHDUQXGENL-OCCSQVGLSA-N 1 1 336.436 0.919 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001267267043 837104101 /nfs/dbraw/zinc/10/41/01/837104101.db2.gz KPBPRZHEDMFFFI-QWHCGFSZSA-N 1 1 334.424 0.312 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC001267268167 837107151 /nfs/dbraw/zinc/10/71/51/837107151.db2.gz WWZKEVFBSRVFDA-CQSZACIVSA-N 1 1 333.432 0.766 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001267268938 837107806 /nfs/dbraw/zinc/10/78/06/837107806.db2.gz IIKRHIXOCCDWGR-CVEARBPZSA-N 1 1 336.480 0.744 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)CCc2c[nH]cn2)C1=O ZINC001267269537 837109115 /nfs/dbraw/zinc/10/91/15/837109115.db2.gz OMORYFZIPGEMAL-HZPDHXFCSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1nc(CC)c[nH]1 ZINC001267270669 837110234 /nfs/dbraw/zinc/11/02/34/837110234.db2.gz VNYQLGUYHOOBEK-DZGCQCFKSA-N 1 1 345.447 0.233 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1nc(CC)c[nH]1 ZINC001267270669 837110239 /nfs/dbraw/zinc/11/02/39/837110239.db2.gz VNYQLGUYHOOBEK-DZGCQCFKSA-N 1 1 345.447 0.233 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1nc(CC)c[nH]1 ZINC001267270673 837111295 /nfs/dbraw/zinc/11/12/95/837111295.db2.gz VNYQLGUYHOOBEK-UKRRQHHQSA-N 1 1 345.447 0.233 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1nc(CC)c[nH]1 ZINC001267270673 837111300 /nfs/dbraw/zinc/11/13/00/837111300.db2.gz VNYQLGUYHOOBEK-UKRRQHHQSA-N 1 1 345.447 0.233 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2nonc2c1 ZINC001267273261 837114741 /nfs/dbraw/zinc/11/47/41/837114741.db2.gz DHDOJZIUSCTPLX-ZDUSSCGKSA-N 1 1 343.387 0.719 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2nonc2c1 ZINC001267273261 837114747 /nfs/dbraw/zinc/11/47/47/837114747.db2.gz DHDOJZIUSCTPLX-ZDUSSCGKSA-N 1 1 343.387 0.719 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001267274237 837117190 /nfs/dbraw/zinc/11/71/90/837117190.db2.gz MELYDFYXHSRBBI-HOTGVXAUSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001267276677 837119971 /nfs/dbraw/zinc/11/99/71/837119971.db2.gz PQFUVPVAUMEHLT-LSDHHAIUSA-N 1 1 347.463 0.922 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001267276677 837119975 /nfs/dbraw/zinc/11/99/75/837119975.db2.gz PQFUVPVAUMEHLT-LSDHHAIUSA-N 1 1 347.463 0.922 20 30 ECEDMO COCC#CC[N@@H+](CCCNC(=O)CN1CCCNC1=O)C(C)C ZINC001267284476 837134304 /nfs/dbraw/zinc/13/43/04/837134304.db2.gz IZMBIUIQTXODOP-UHFFFAOYSA-N 1 1 338.452 0.268 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC001267293727 837148080 /nfs/dbraw/zinc/14/80/80/837148080.db2.gz XVIILROEQJODBG-HUUCEWRRSA-N 1 1 337.464 0.768 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001267293746 837148228 /nfs/dbraw/zinc/14/82/28/837148228.db2.gz YHVSYZMJBGQNIJ-ZIAGYGMSSA-N 1 1 333.436 0.471 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2scnc2CC)C1 ZINC001267295433 837149056 /nfs/dbraw/zinc/14/90/56/837149056.db2.gz WHJYXYLKFFUSNF-GFCCVEGCSA-N 1 1 334.445 0.507 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](CNC(=O)C3(C(N)=O)CC3)C2)c1 ZINC001267302171 837166183 /nfs/dbraw/zinc/16/61/83/837166183.db2.gz MRLXYMYXJOASRF-CYBMUJFWSA-N 1 1 344.390 0.901 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc(COC)on2)C1 ZINC001267303836 837171185 /nfs/dbraw/zinc/17/11/85/837171185.db2.gz SCDKTUVSCUOMPC-GFCCVEGCSA-N 1 1 336.392 0.175 20 30 ECEDMO CC(C)Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267307164 837179434 /nfs/dbraw/zinc/17/94/34/837179434.db2.gz MXPZVOVQPMTJDT-AWEZNQCLSA-N 1 1 345.447 0.905 20 30 ECEDMO CC(C)Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267307164 837179440 /nfs/dbraw/zinc/17/94/40/837179440.db2.gz MXPZVOVQPMTJDT-AWEZNQCLSA-N 1 1 345.447 0.905 20 30 ECEDMO CCC[N@@H+](CCNC(=O)C#CC1CC1)[C@@H](C)C(=O)NC(=O)NCC ZINC001267312741 837187660 /nfs/dbraw/zinc/18/76/60/837187660.db2.gz MJCFBQMQEXISPF-ZDUSSCGKSA-N 1 1 336.436 0.462 20 30 ECEDMO CCC[N@@H+](CCNC(=O)C#CC1CC1)[C@H](C)C(=O)NC(=O)NCC ZINC001267312740 837187732 /nfs/dbraw/zinc/18/77/32/837187732.db2.gz MJCFBQMQEXISPF-CYBMUJFWSA-N 1 1 336.436 0.462 20 30 ECEDMO CCC[N@@H+](CCNC(=O)C#CC(C)(C)C)CCN(C)S(C)(=O)=O ZINC001267312598 837187750 /nfs/dbraw/zinc/18/77/50/837187750.db2.gz HFGFDZVOZVUWOS-UHFFFAOYSA-N 1 1 345.509 0.756 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1c(C)nn(CC)c1C)C1CC1 ZINC001267334551 837217173 /nfs/dbraw/zinc/21/71/73/837217173.db2.gz AELFCLJSZASETN-UHFFFAOYSA-N 1 1 345.447 0.463 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1c(C)nn(CC)c1C)C1CC1 ZINC001267334551 837217183 /nfs/dbraw/zinc/21/71/83/837217183.db2.gz AELFCLJSZASETN-UHFFFAOYSA-N 1 1 345.447 0.463 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@@H]1CCCCN(C)C1=O)C1CC1 ZINC001267335880 837218459 /nfs/dbraw/zinc/21/84/59/837218459.db2.gz DVXDFOHEUQBBRL-INIZCTEOSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001267337756 837222160 /nfs/dbraw/zinc/22/21/60/837222160.db2.gz HWEZXJGPRQYCQU-TZMCWYRMSA-N 1 1 329.466 0.613 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cccn2)C1 ZINC001267577756 837835342 /nfs/dbraw/zinc/83/53/42/837835342.db2.gz DRKMBUYVJXDYSK-HZPDHXFCSA-N 1 1 347.463 0.744 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC001267580812 837841896 /nfs/dbraw/zinc/84/18/96/837841896.db2.gz DSBIXCNPKKIIJH-JSGCOSHPSA-N 1 1 332.404 0.515 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001267582464 837847185 /nfs/dbraw/zinc/84/71/85/837847185.db2.gz IUBUNHHHAKIJCL-KGLIPLIRSA-N 1 1 331.482 0.671 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H]2CC[N@H+](CC(=O)NCC)C2)nn1 ZINC001267582926 837849867 /nfs/dbraw/zinc/84/98/67/837849867.db2.gz HQTGIYZLVBRPDM-ZDUSSCGKSA-N 1 1 334.424 0.042 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cnc(C3CC3)o2)C1 ZINC001267584615 837857379 /nfs/dbraw/zinc/85/73/79/837857379.db2.gz HBJBYOVVLSBZAC-CYBMUJFWSA-N 1 1 344.415 0.695 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC(=O)N(C)CC)C1 ZINC001267585635 837860572 /nfs/dbraw/zinc/86/05/72/837860572.db2.gz YVMJAUGBODLBTQ-SJORKVTESA-N 1 1 348.491 0.343 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cccc(OC)n2)C1 ZINC001267594923 837896847 /nfs/dbraw/zinc/89/68/47/837896847.db2.gz NUBPAEUAVGSCKM-AWEZNQCLSA-N 1 1 346.431 0.834 20 30 ECEDMO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC#CCOC)C1)N1CCCC1=O ZINC001267597410 837904691 /nfs/dbraw/zinc/90/46/91/837904691.db2.gz WUFUVWYCOAMYQA-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2ccccc2F)C1 ZINC001267602012 837924746 /nfs/dbraw/zinc/92/47/46/837924746.db2.gz UYAMXQPNYFQAMT-OAHLLOKOSA-N 1 1 345.418 0.946 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2nocc2C)CC1 ZINC001267603026 837929830 /nfs/dbraw/zinc/92/98/30/837929830.db2.gz OTFRPLVVSKEIRB-UHFFFAOYSA-N 1 1 332.404 0.516 20 30 ECEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC001267603794 837931767 /nfs/dbraw/zinc/93/17/67/837931767.db2.gz BCCZSCSOJAZDHI-UHFFFAOYSA-N 1 1 331.482 0.672 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCc2ncccn2)C1 ZINC001267632965 838094209 /nfs/dbraw/zinc/09/42/09/838094209.db2.gz XNPWSXVMIAKPGU-CABCVRRESA-N 1 1 345.447 0.681 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCc2ncccn2)C1 ZINC001267632965 838094220 /nfs/dbraw/zinc/09/42/20/838094220.db2.gz XNPWSXVMIAKPGU-CABCVRRESA-N 1 1 345.447 0.681 20 30 ECEDMO CCC(=O)N1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CC#CCOC)C2)C1 ZINC001267633812 838102303 /nfs/dbraw/zinc/10/23/03/838102303.db2.gz PYIATSUYTRKUHH-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO CCC(=O)N1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC#CCOC)C2)C1 ZINC001267633812 838102307 /nfs/dbraw/zinc/10/23/07/838102307.db2.gz PYIATSUYTRKUHH-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001267638627 838116866 /nfs/dbraw/zinc/11/68/66/838116866.db2.gz PBPYLXYLWXAJFY-INIZCTEOSA-N 1 1 325.453 0.302 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)ccn2C)C1 ZINC001267645673 838130274 /nfs/dbraw/zinc/13/02/74/838130274.db2.gz CZIJDEBXPQBGGL-HNNXBMFYSA-N 1 1 330.432 0.477 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001267658608 838174465 /nfs/dbraw/zinc/17/44/65/838174465.db2.gz PUHUAUSRYOPIKP-AWEZNQCLSA-N 1 1 334.420 0.872 20 30 ECEDMO C=CCNC(=O)[C@@H](C)N1CC(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267664088 838187636 /nfs/dbraw/zinc/18/76/36/838187636.db2.gz UXUWKQOQIDRTKP-CYBMUJFWSA-N 1 1 333.436 0.498 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H](CC)SC)C2)C1=O ZINC001267678428 838232709 /nfs/dbraw/zinc/23/27/09/838232709.db2.gz CVFAXEUXHOJGOR-KGLIPLIRSA-N 1 1 325.478 0.963 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCc2ccnn2C)C1 ZINC001267683475 838244886 /nfs/dbraw/zinc/24/48/86/838244886.db2.gz LZLLXIVYTPGZFD-ZDUSSCGKSA-N 1 1 333.436 0.091 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001267685525 838251833 /nfs/dbraw/zinc/25/18/33/838251833.db2.gz DAUBNGCNHDUHLQ-UHFFFAOYSA-N 1 1 326.400 0.803 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001267692389 838267091 /nfs/dbraw/zinc/26/70/91/838267091.db2.gz DUYFRVMMAVLJFQ-VIFPVBQESA-N 1 1 341.362 0.700 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001267696479 838285443 /nfs/dbraw/zinc/28/54/43/838285443.db2.gz HGJFZGODFQVMNM-OAHLLOKOSA-N 1 1 348.447 0.673 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)CCNC(=O)c2cccs2)C1 ZINC001267698865 838293065 /nfs/dbraw/zinc/29/30/65/838293065.db2.gz INSFTHFHHHEOLT-UHFFFAOYSA-N 1 1 349.456 0.566 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001267703313 838301348 /nfs/dbraw/zinc/30/13/48/838301348.db2.gz OJZKRTHTGABIAB-LSDHHAIUSA-N 1 1 345.447 0.179 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001267703310 838301495 /nfs/dbraw/zinc/30/14/95/838301495.db2.gz OJZKRTHTGABIAB-GJZGRUSLSA-N 1 1 345.447 0.179 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001267703311 838301724 /nfs/dbraw/zinc/30/17/24/838301724.db2.gz OJZKRTHTGABIAB-HUUCEWRRSA-N 1 1 345.447 0.179 20 30 ECEDMO COc1ccccc1C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267703734 838307424 /nfs/dbraw/zinc/30/74/24/838307424.db2.gz VHLFRZKTBQRGKH-CQSZACIVSA-N 1 1 344.415 0.729 20 30 ECEDMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC#Cc1ccccc1 ZINC001267717455 838364624 /nfs/dbraw/zinc/36/46/24/838364624.db2.gz WCPKGUCXYKZEFM-BZSNNMDCSA-N 1 1 328.412 0.721 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001267725141 838392471 /nfs/dbraw/zinc/39/24/71/838392471.db2.gz UKZKSYYXXHZWEE-UHFFFAOYSA-N 1 1 343.431 0.973 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001267725731 838395529 /nfs/dbraw/zinc/39/55/29/838395529.db2.gz ZXAMHDLIEVDNHY-RYUDHWBXSA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001267725731 838395531 /nfs/dbraw/zinc/39/55/31/838395531.db2.gz ZXAMHDLIEVDNHY-RYUDHWBXSA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCCC#CC)C1 ZINC001267729527 838415784 /nfs/dbraw/zinc/41/57/84/838415784.db2.gz ZTQGELLDHLGMNR-CABCVRRESA-N 1 1 348.447 0.771 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCCC#CC)C1 ZINC001267729527 838415788 /nfs/dbraw/zinc/41/57/88/838415788.db2.gz ZTQGELLDHLGMNR-CABCVRRESA-N 1 1 348.447 0.771 20 30 ECEDMO Cc1ccc(C(=O)N2CCC(C[N@H+](C)CC(=O)NCC#N)CC2)nn1 ZINC001267730272 838416507 /nfs/dbraw/zinc/41/65/07/838416507.db2.gz RLXSNVYYSWQSBX-UHFFFAOYSA-N 1 1 344.419 0.209 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001267734908 838428590 /nfs/dbraw/zinc/42/85/90/838428590.db2.gz DXQOYFDCJPGCEU-AWEZNQCLSA-N 1 1 341.415 0.598 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001267734908 838428598 /nfs/dbraw/zinc/42/85/98/838428598.db2.gz DXQOYFDCJPGCEU-AWEZNQCLSA-N 1 1 341.415 0.598 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H](CCC)OC)CC1 ZINC001267740122 838439044 /nfs/dbraw/zinc/43/90/44/838439044.db2.gz UTEFHZCSHFANNO-MRXNPFEDSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001267747967 838457213 /nfs/dbraw/zinc/45/72/13/838457213.db2.gz JESRFNHOIOUTEY-IUODEOHRSA-N 1 1 339.399 0.505 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001267747967 838457218 /nfs/dbraw/zinc/45/72/18/838457218.db2.gz JESRFNHOIOUTEY-IUODEOHRSA-N 1 1 339.399 0.505 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn3cc(C)cnc23)C1 ZINC001267749270 838466059 /nfs/dbraw/zinc/46/60/59/838466059.db2.gz KEMGXXRAHAGKSN-CQSZACIVSA-N 1 1 327.388 0.492 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cnn3cc(C)cnc23)C1 ZINC001267749270 838466064 /nfs/dbraw/zinc/46/60/64/838466064.db2.gz KEMGXXRAHAGKSN-CQSZACIVSA-N 1 1 327.388 0.492 20 30 ECEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001267758163 838484135 /nfs/dbraw/zinc/48/41/35/838484135.db2.gz IQDWUCQHFXWSSR-CQSZACIVSA-N 1 1 329.466 0.521 20 30 ECEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001267758163 838484140 /nfs/dbraw/zinc/48/41/40/838484140.db2.gz IQDWUCQHFXWSSR-CQSZACIVSA-N 1 1 329.466 0.521 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CCOC)nc2C)C1 ZINC001267762360 838490058 /nfs/dbraw/zinc/49/00/58/838490058.db2.gz FTNOLPHKDHLFLC-MRXNPFEDSA-N 1 1 348.447 0.634 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(CCOC)nc2C)C1 ZINC001267762360 838490059 /nfs/dbraw/zinc/49/00/59/838490059.db2.gz FTNOLPHKDHLFLC-MRXNPFEDSA-N 1 1 348.447 0.634 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001267763485 838492442 /nfs/dbraw/zinc/49/24/42/838492442.db2.gz XRZSIHJNPQTSST-SWLSCSKDSA-N 1 1 346.431 0.309 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001267763485 838492444 /nfs/dbraw/zinc/49/24/44/838492444.db2.gz XRZSIHJNPQTSST-SWLSCSKDSA-N 1 1 346.431 0.309 20 30 ECEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267763807 838493422 /nfs/dbraw/zinc/49/34/22/838493422.db2.gz PUBNXRAHWZWDKY-OCCSQVGLSA-N 1 1 336.436 0.871 20 30 ECEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001267763807 838493424 /nfs/dbraw/zinc/49/34/24/838493424.db2.gz PUBNXRAHWZWDKY-OCCSQVGLSA-N 1 1 336.436 0.871 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001267767477 838504797 /nfs/dbraw/zinc/50/47/97/838504797.db2.gz JQMJKRAOFAYNLT-RDJZCZTQSA-N 1 1 343.427 0.825 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001267767477 838504804 /nfs/dbraw/zinc/50/48/04/838504804.db2.gz JQMJKRAOFAYNLT-RDJZCZTQSA-N 1 1 343.427 0.825 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2cnn(C)c2C)C1 ZINC001267767971 838505837 /nfs/dbraw/zinc/50/58/37/838505837.db2.gz REUFUYCQTTZJKW-ZBFHGGJFSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2cnn(C)c2C)C1 ZINC001267767971 838505842 /nfs/dbraw/zinc/50/58/42/838505842.db2.gz REUFUYCQTTZJKW-ZBFHGGJFSA-N 1 1 347.463 0.494 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cn(C)nc2C)C1 ZINC001267773791 838535314 /nfs/dbraw/zinc/53/53/14/838535314.db2.gz QFSOIRWURBEUQN-KRWDZBQOSA-N 1 1 332.448 0.844 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)CCc2cn(C)nc2C)C1 ZINC001267773791 838535317 /nfs/dbraw/zinc/53/53/17/838535317.db2.gz QFSOIRWURBEUQN-KRWDZBQOSA-N 1 1 332.448 0.844 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2F)C1 ZINC001267778055 838544900 /nfs/dbraw/zinc/54/49/00/838544900.db2.gz WETANRWCZPNEMH-OAHLLOKOSA-N 1 1 331.391 0.650 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2F)C1 ZINC001267778055 838544905 /nfs/dbraw/zinc/54/49/05/838544905.db2.gz WETANRWCZPNEMH-OAHLLOKOSA-N 1 1 331.391 0.650 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccnc2)C1 ZINC001267777689 838545212 /nfs/dbraw/zinc/54/52/12/838545212.db2.gz SNWQJIIJALQXNN-ZBFHGGJFSA-N 1 1 328.416 0.467 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccnc2)C1 ZINC001267777689 838545219 /nfs/dbraw/zinc/54/52/19/838545219.db2.gz SNWQJIIJALQXNN-ZBFHGGJFSA-N 1 1 328.416 0.467 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001267780216 838552743 /nfs/dbraw/zinc/55/27/43/838552743.db2.gz ZSSAWKWQYSFARZ-INIZCTEOSA-N 1 1 347.463 0.840 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001267780216 838552748 /nfs/dbraw/zinc/55/27/48/838552748.db2.gz ZSSAWKWQYSFARZ-INIZCTEOSA-N 1 1 347.463 0.840 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2nccn2CC)C1 ZINC001267784598 838560266 /nfs/dbraw/zinc/56/02/66/838560266.db2.gz QWPOCYRLYRRXSV-HUUCEWRRSA-N 1 1 345.447 0.577 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2nccn2CC)C1 ZINC001267784598 838560271 /nfs/dbraw/zinc/56/02/71/838560271.db2.gz QWPOCYRLYRRXSV-HUUCEWRRSA-N 1 1 345.447 0.577 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cc2cnc[nH]2)CC1 ZINC001267929970 838809995 /nfs/dbraw/zinc/80/99/95/838809995.db2.gz UOIPNELRHHKEAQ-MGPQQGTHSA-N 1 1 333.436 0.660 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)c1ccnnc1)CC2 ZINC001267974167 838909193 /nfs/dbraw/zinc/90/91/93/838909193.db2.gz OQHIERPTJHLSOL-UHFFFAOYSA-N 1 1 342.403 0.044 20 30 ECEDMO O=C(C#CC1CC1)NC[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)CCO1 ZINC001268021728 838998857 /nfs/dbraw/zinc/99/88/57/838998857.db2.gz JDGBQDRHZOYVMM-HZPDHXFCSA-N 1 1 333.432 0.133 20 30 ECEDMO O=C(C#CC1CC1)NC[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)CCO1 ZINC001268021728 838998865 /nfs/dbraw/zinc/99/88/65/838998865.db2.gz JDGBQDRHZOYVMM-HZPDHXFCSA-N 1 1 333.432 0.133 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001268024741 839014618 /nfs/dbraw/zinc/01/46/18/839014618.db2.gz KUMPRCCGXXFGCS-KBPBESRZSA-N 1 1 337.420 0.307 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 ZINC001268030319 839050639 /nfs/dbraw/zinc/05/06/39/839050639.db2.gz PAJDLZQTPBBNTI-KGLIPLIRSA-N 1 1 340.468 0.853 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCCO1)CC2 ZINC001268042872 839189459 /nfs/dbraw/zinc/18/94/59/839189459.db2.gz XRDSWGXNYVQFHL-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1nccc(C)n1 ZINC001268067996 839259158 /nfs/dbraw/zinc/25/91/58/839259158.db2.gz IBDUYOHOBZVUTA-CVEARBPZSA-N 1 1 329.448 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1nccc(C)n1 ZINC001268067996 839259165 /nfs/dbraw/zinc/25/91/65/839259165.db2.gz IBDUYOHOBZVUTA-CVEARBPZSA-N 1 1 329.448 0.819 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000153020861 530061619 /nfs/dbraw/zinc/06/16/19/530061619.db2.gz OIGCYSIACBMCQE-INIZCTEOSA-N 1 1 326.400 0.937 20 30 ECEDMO CN(CCC#N)C(=O)CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000092796439 282395623 /nfs/dbraw/zinc/39/56/23/282395623.db2.gz WPRPVUIKVBHYID-QGZVFWFLSA-N 1 1 335.496 0.850 20 30 ECEDMO CN(CCC#N)C(=O)CCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000092796439 282395629 /nfs/dbraw/zinc/39/56/29/282395629.db2.gz WPRPVUIKVBHYID-QGZVFWFLSA-N 1 1 335.496 0.850 20 30 ECEDMO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000330202623 283710398 /nfs/dbraw/zinc/71/03/98/283710398.db2.gz ZNXAKJOWYYZADX-ZDUSSCGKSA-N 1 1 345.382 0.863 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000246076319 243191189 /nfs/dbraw/zinc/19/11/89/243191189.db2.gz DMNMPNZNXVQYPP-SJORKVTESA-N 1 1 331.416 0.704 20 30 ECEDMO CNS(=O)(=O)CCC[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000111208762 220109390 /nfs/dbraw/zinc/10/93/90/220109390.db2.gz VYBRCJBMDUASAI-UHFFFAOYSA-N 1 1 325.434 0.946 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000451340923 211377688 /nfs/dbraw/zinc/37/76/88/211377688.db2.gz XTIALBAJMGQKKG-RHSMWYFYSA-N 1 1 331.372 0.596 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000451340923 211377689 /nfs/dbraw/zinc/37/76/89/211377689.db2.gz XTIALBAJMGQKKG-RHSMWYFYSA-N 1 1 331.372 0.596 20 30 ECEDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000411924679 208170593 /nfs/dbraw/zinc/17/05/93/208170593.db2.gz YCVIWZRIWUFJRT-OAHLLOKOSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@H+](C)C1 ZINC000411924679 208170596 /nfs/dbraw/zinc/17/05/96/208170596.db2.gz YCVIWZRIWUFJRT-OAHLLOKOSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000411924679 208170599 /nfs/dbraw/zinc/17/05/99/208170599.db2.gz YCVIWZRIWUFJRT-OAHLLOKOSA-N 1 1 344.415 0.923 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccc(C#N)o3)CC2)CC1 ZINC000429862126 210338088 /nfs/dbraw/zinc/33/80/88/210338088.db2.gz QSVGEQCMJUXVTF-UHFFFAOYSA-N 1 1 330.388 0.777 20 30 ECEDMO CC(=O)NC[C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)CCO1 ZINC000329305744 254604529 /nfs/dbraw/zinc/60/45/29/254604529.db2.gz AWODXLDPGCXMOL-CYBMUJFWSA-N 1 1 330.454 0.626 20 30 ECEDMO CN1CCN(C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)C[C@H]1C#N ZINC000372140513 254745017 /nfs/dbraw/zinc/74/50/17/254745017.db2.gz OZPOBXPEDJUXBY-CQSZACIVSA-N 1 1 330.436 0.391 20 30 ECEDMO CN1CCN(C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)C[C@H]1C#N ZINC000372140513 254745019 /nfs/dbraw/zinc/74/50/19/254745019.db2.gz OZPOBXPEDJUXBY-CQSZACIVSA-N 1 1 330.436 0.391 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411833028 254767620 /nfs/dbraw/zinc/76/76/20/254767620.db2.gz GSVNHPNGYWBALW-UHFFFAOYSA-N 1 1 343.493 0.911 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000491099736 254897686 /nfs/dbraw/zinc/89/76/86/254897686.db2.gz CQLUFCMOZYBPCO-UHFFFAOYSA-N 1 1 331.391 0.903 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000419341453 209063567 /nfs/dbraw/zinc/06/35/67/209063567.db2.gz ANDNTDRALOJYHH-HNNXBMFYSA-N 1 1 331.372 0.691 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000419341453 209063570 /nfs/dbraw/zinc/06/35/70/209063570.db2.gz ANDNTDRALOJYHH-HNNXBMFYSA-N 1 1 331.372 0.691 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)N(CCC#N)CCOC)C[C@H]1C ZINC000337095998 285397980 /nfs/dbraw/zinc/39/79/80/285397980.db2.gz QUPDUAXJRUKYID-CABCVRRESA-N 1 1 346.497 0.898 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NC[C@H](C)[N@@H+](C)C2CC2)N(S(C)(=O)=O)C1 ZINC000329826858 286102725 /nfs/dbraw/zinc/10/27/25/286102725.db2.gz CMEHFCRSZBGHNU-WCFLWFBJSA-N 1 1 333.454 0.475 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[NH+]2CCN(CC(N)=O)CC2)cc1Cl ZINC000171633893 227187308 /nfs/dbraw/zinc/18/73/08/227187308.db2.gz GRULZNVSKIYHBC-UHFFFAOYSA-N 1 1 349.822 0.643 20 30 ECEDMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)nn1-c1cccc(C#N)c1 ZINC000358052301 269910342 /nfs/dbraw/zinc/91/03/42/269910342.db2.gz SUDMPOYUFXLYPN-SFHVURJKSA-N 1 1 339.399 0.849 20 30 ECEDMO C[NH+]1CCC(O)(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000269795863 263205319 /nfs/dbraw/zinc/20/53/19/263205319.db2.gz RKLGNDZNRJSPQA-UHFFFAOYSA-N 1 1 345.371 0.571 20 30 ECEDMO N#Cc1ccc2c(c1)N(C(=O)C(=O)NCC[NH+]1CCSCC1)CC2 ZINC000270134907 263223937 /nfs/dbraw/zinc/22/39/37/263223937.db2.gz CFTZZAWWGVULII-UHFFFAOYSA-N 1 1 344.440 0.612 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000283852299 264159187 /nfs/dbraw/zinc/15/91/87/264159187.db2.gz FUACKHYWRWQOEJ-AWEZNQCLSA-N 1 1 344.415 0.259 20 30 ECEDMO CC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000334133728 266155431 /nfs/dbraw/zinc/15/54/31/266155431.db2.gz WPYKKFFCCBAVLX-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO CCNC(=O)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C ZINC000339319392 266170906 /nfs/dbraw/zinc/17/09/06/266170906.db2.gz FMFYAVNOKLXZQX-CQSZACIVSA-N 1 1 338.433 0.477 20 30 ECEDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000289716729 267108628 /nfs/dbraw/zinc/10/86/28/267108628.db2.gz IETMQUZEVFKDSQ-CRAIPNDOSA-N 1 1 342.443 0.969 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372105417 267282471 /nfs/dbraw/zinc/28/24/71/267282471.db2.gz LMHPEMIYLONWOQ-LSDHHAIUSA-N 1 1 342.399 0.785 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000516649203 267337174 /nfs/dbraw/zinc/33/71/74/267337174.db2.gz KRCQKLKXURFENS-AWEZNQCLSA-N 1 1 342.403 0.724 20 30 ECEDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)ccc1C#N ZINC000296326333 267360214 /nfs/dbraw/zinc/36/02/14/267360214.db2.gz UMRNHAMUOHWYBY-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1C#N ZINC000296326333 267360217 /nfs/dbraw/zinc/36/02/17/267360217.db2.gz UMRNHAMUOHWYBY-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000288774859 267379273 /nfs/dbraw/zinc/37/92/73/267379273.db2.gz KCEIEBLYLSQMSC-UHFFFAOYSA-N 1 1 345.447 0.805 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCN(C)CC[NH+](C)C ZINC000288774859 267379277 /nfs/dbraw/zinc/37/92/77/267379277.db2.gz KCEIEBLYLSQMSC-UHFFFAOYSA-N 1 1 345.447 0.805 20 30 ECEDMO Cc1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1C#N ZINC000296281030 267487982 /nfs/dbraw/zinc/48/79/82/267487982.db2.gz RAJBWFZZRPOVMF-CQSZACIVSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1C#N ZINC000296281030 267487987 /nfs/dbraw/zinc/48/79/87/267487987.db2.gz RAJBWFZZRPOVMF-CQSZACIVSA-N 1 1 337.445 0.992 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000362408378 268067073 /nfs/dbraw/zinc/06/70/73/268067073.db2.gz BBFYIPBLTASLBY-GOSISDBHSA-N 1 1 326.400 0.777 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000363683394 268135055 /nfs/dbraw/zinc/13/50/55/268135055.db2.gz RHCLVFXEPCMPOG-GJZGRUSLSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000368336758 268137705 /nfs/dbraw/zinc/13/77/05/268137705.db2.gz QDLQYOJMEJJRGP-UONOGXRCSA-N 1 1 326.356 0.481 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000336888625 268178525 /nfs/dbraw/zinc/17/85/25/268178525.db2.gz KGEMEMKLTMLGIS-MRXNPFEDSA-N 1 1 341.415 0.839 20 30 ECEDMO N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)nc1 ZINC000329327721 268185045 /nfs/dbraw/zinc/18/50/45/268185045.db2.gz URBXOCCUWBFNST-JKSUJKDBSA-N 1 1 341.415 0.323 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000528432475 268296585 /nfs/dbraw/zinc/29/65/85/268296585.db2.gz ZYWQXEKYOLAFMM-CVEARBPZSA-N 1 1 329.400 0.995 20 30 ECEDMO CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCC3(CC#N)CC3)CC2)C1 ZINC000374016982 276393018 /nfs/dbraw/zinc/39/30/18/276393018.db2.gz HOTNIFPSKGHSQP-INIZCTEOSA-N 1 1 349.479 0.728 20 30 ECEDMO CC[N@H+]1CCO[C@H](CN2CCN(C(=O)NCC3(CC#N)CC3)CC2)C1 ZINC000374016982 276393019 /nfs/dbraw/zinc/39/30/19/276393019.db2.gz HOTNIFPSKGHSQP-INIZCTEOSA-N 1 1 349.479 0.728 20 30 ECEDMO C[C@H](CNC(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1)C[NH+]1CCOCC1 ZINC000329998840 278159479 /nfs/dbraw/zinc/15/94/79/278159479.db2.gz SZITWRYQKCTZCM-VYDXJSESSA-N 1 1 341.452 0.749 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC001041720161 782051239 /nfs/dbraw/zinc/05/12/39/782051239.db2.gz LRDCFJZRSZBZPG-GOSISDBHSA-N 1 1 346.431 0.198 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000374415188 279214957 /nfs/dbraw/zinc/21/49/57/279214957.db2.gz LGUBYHMQMYCHBC-AWEZNQCLSA-N 1 1 346.497 0.491 20 30 ECEDMO CC(C)[C@H](CNC(=O)N(C)[C@H]1CCN(C)C1=O)N1CC[NH+](C)CC1 ZINC000329433868 280224786 /nfs/dbraw/zinc/22/47/86/280224786.db2.gz IZXHHVLTRJSTPW-GJZGRUSLSA-N 1 1 339.484 0.335 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000340224412 437611198 /nfs/dbraw/zinc/61/11/98/437611198.db2.gz XDJMVAZYXAZIDK-UHFFFAOYSA-N 1 1 345.443 0.822 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000340224412 437611204 /nfs/dbraw/zinc/61/12/04/437611204.db2.gz XDJMVAZYXAZIDK-UHFFFAOYSA-N 1 1 345.443 0.822 20 30 ECEDMO CN(CCCNC(=O)C[NH+]1CCC(C)(C#N)CC1)S(C)(=O)=O ZINC000330789271 437614832 /nfs/dbraw/zinc/61/48/32/437614832.db2.gz ZHZQZNJSNDNISQ-UHFFFAOYSA-N 1 1 330.454 0.010 20 30 ECEDMO N#CCN1CCC(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000074135061 436108855 /nfs/dbraw/zinc/10/88/55/436108855.db2.gz GIQNIGRSEPSKNL-QGZVFWFLSA-N 1 1 349.479 0.871 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038567 436074954 /nfs/dbraw/zinc/07/49/54/436074954.db2.gz HBRAYIAOHLMECE-UHFFFAOYSA-N 1 1 346.431 0.967 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038567 436074963 /nfs/dbraw/zinc/07/49/63/436074963.db2.gz HBRAYIAOHLMECE-UHFFFAOYSA-N 1 1 346.431 0.967 20 30 ECEDMO CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000073659839 436088310 /nfs/dbraw/zinc/08/83/10/436088310.db2.gz DEMLYOIOBFKDGO-CABCVRRESA-N 1 1 338.429 0.807 20 30 ECEDMO CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000073659839 436088311 /nfs/dbraw/zinc/08/83/11/436088311.db2.gz DEMLYOIOBFKDGO-CABCVRRESA-N 1 1 338.429 0.807 20 30 ECEDMO C=CCCC[N@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000076738048 436215364 /nfs/dbraw/zinc/21/53/64/436215364.db2.gz WFXXBWKDSPBLHH-UHFFFAOYSA-N 1 1 339.461 0.891 20 30 ECEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000086462961 436393623 /nfs/dbraw/zinc/39/36/23/436393623.db2.gz LDJCXMFVKXUXAC-CQSZACIVSA-N 1 1 346.435 0.926 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCOc2cccc(C(N)=O)c2)CC1 ZINC000081728745 436354937 /nfs/dbraw/zinc/35/49/37/436354937.db2.gz LAKODACHZFEQID-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000047952026 436434257 /nfs/dbraw/zinc/43/42/57/436434257.db2.gz WKLOSXOHSYYLBJ-CYBMUJFWSA-N 1 1 346.435 0.375 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000091210586 436444962 /nfs/dbraw/zinc/44/49/62/436444962.db2.gz OUOBHSVHWLSEOD-LSDHHAIUSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000091210586 436444966 /nfs/dbraw/zinc/44/49/66/436444966.db2.gz OUOBHSVHWLSEOD-LSDHHAIUSA-N 1 1 341.477 0.550 20 30 ECEDMO C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000091282259 436449273 /nfs/dbraw/zinc/44/92/73/436449273.db2.gz MHHIICINQQJPIJ-CQSZACIVSA-N 1 1 344.415 0.776 20 30 ECEDMO CCCC[N@@H+](C)CC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000052486166 436507844 /nfs/dbraw/zinc/50/78/44/436507844.db2.gz GNJROIFEBHGZQB-UHFFFAOYSA-N 1 1 347.463 0.904 20 30 ECEDMO CNC(=O)NC(=O)CC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000101586685 436548339 /nfs/dbraw/zinc/54/83/39/436548339.db2.gz GCWJGKBEQGSLNM-OAHLLOKOSA-N 1 1 329.404 0.715 20 30 ECEDMO C#CCN(C(=S)NC[C@@H]1CCC[N@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000054974787 436563785 /nfs/dbraw/zinc/56/37/85/436563785.db2.gz OFADBYHXTZONSY-UONOGXRCSA-N 1 1 343.518 0.468 20 30 ECEDMO C#CCN(C(=S)NC[C@@H]1CCC[N@@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000054974787 436563788 /nfs/dbraw/zinc/56/37/88/436563788.db2.gz OFADBYHXTZONSY-UONOGXRCSA-N 1 1 343.518 0.468 20 30 ECEDMO C#CCNC(=O)[C@@H](C)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000056215171 436588986 /nfs/dbraw/zinc/58/89/86/436588986.db2.gz SHLKYZQWSMRGTM-OAHLLOKOSA-N 1 1 342.443 0.553 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231173 436630542 /nfs/dbraw/zinc/63/05/42/436630542.db2.gz FPYSFXHRBGKFIY-IAGOWNOFSA-N 1 1 335.496 0.849 20 30 ECEDMO CCN(CCC#N)C(=O)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231020 436630917 /nfs/dbraw/zinc/63/09/17/436630917.db2.gz IKEXLUHOKIPQBA-QGZVFWFLSA-N 1 1 335.496 0.850 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000551705572 302361522 /nfs/dbraw/zinc/36/15/22/302361522.db2.gz CJCOJZRRICTRGF-CQSZACIVSA-N 1 1 344.415 0.606 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000118103422 436659189 /nfs/dbraw/zinc/65/91/89/436659189.db2.gz VRXFTWVPBWYPMD-OAHLLOKOSA-N 1 1 344.415 0.751 20 30 ECEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000272058612 436702499 /nfs/dbraw/zinc/70/24/99/436702499.db2.gz WDRXIKPGMLMGGP-CYBMUJFWSA-N 1 1 341.415 0.824 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000194646543 436668645 /nfs/dbraw/zinc/66/86/45/436668645.db2.gz GGAIXJVNPHWOIV-HNNXBMFYSA-N 1 1 349.456 0.812 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000123155720 436739352 /nfs/dbraw/zinc/73/93/52/436739352.db2.gz VGTYBIMKZDETTD-CQSZACIVSA-N 1 1 342.465 0.248 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCNC(=O)CC2)c(OC)c1 ZINC000068334116 436741231 /nfs/dbraw/zinc/74/12/31/436741231.db2.gz NIOJATKVYJWDKL-HNNXBMFYSA-N 1 1 334.416 0.985 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCNC(=O)CC2)c(OC)c1 ZINC000068334116 436741233 /nfs/dbraw/zinc/74/12/33/436741233.db2.gz NIOJATKVYJWDKL-HNNXBMFYSA-N 1 1 334.416 0.985 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cccnc2N2CCOCC2)CC1 ZINC000068468128 436745861 /nfs/dbraw/zinc/74/58/61/436745861.db2.gz LONFLYJPZFIDSP-UHFFFAOYSA-N 1 1 328.416 0.699 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@](C)(O)C3)CC2)o1 ZINC000124451016 436750706 /nfs/dbraw/zinc/75/07/06/436750706.db2.gz SDNBSSHFCCTZEM-QGZVFWFLSA-N 1 1 347.419 0.350 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000246534153 436780559 /nfs/dbraw/zinc/78/05/59/436780559.db2.gz BBIIYTYDDQFLCO-GJZGRUSLSA-N 1 1 338.452 0.431 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246534153 436780563 /nfs/dbraw/zinc/78/05/63/436780563.db2.gz BBIIYTYDDQFLCO-GJZGRUSLSA-N 1 1 338.452 0.431 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCN1CCOCC1 ZINC000155553091 436798166 /nfs/dbraw/zinc/79/81/66/436798166.db2.gz FKTIQNJMWROUTN-HNNXBMFYSA-N 1 1 330.436 0.581 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000293355302 436870330 /nfs/dbraw/zinc/87/03/30/436870330.db2.gz LFGDSKQGNHRGHX-UHFFFAOYSA-N 1 1 344.415 0.963 20 30 ECEDMO C#C[C@@H](C)NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000274753099 436870417 /nfs/dbraw/zinc/87/04/17/436870417.db2.gz FRVRUKIABYOVKI-CQSZACIVSA-N 1 1 328.416 0.895 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000293381263 436871172 /nfs/dbraw/zinc/87/11/72/436871172.db2.gz MVTAKRDJQAMKRQ-AWEZNQCLSA-N 1 1 329.400 0.872 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccsc1C(=O)OC ZINC000293390325 436873312 /nfs/dbraw/zinc/87/33/12/436873312.db2.gz NQKWTRYWOXSVQL-UHFFFAOYSA-N 1 1 337.401 0.545 20 30 ECEDMO C[C@@H](CS(C)(=O)=O)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163098939 436919650 /nfs/dbraw/zinc/91/96/50/436919650.db2.gz HSLVSDQWHCRKKU-NSHDSACASA-N 1 1 330.431 0.355 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)cc1C(=O)OC ZINC000293473963 436881014 /nfs/dbraw/zinc/88/10/14/436881014.db2.gz VCLVVVJVXHMRHG-UHFFFAOYSA-N 1 1 345.399 0.791 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000293610756 436892546 /nfs/dbraw/zinc/89/25/46/436892546.db2.gz VPAKYDJYDWLVER-UHFFFAOYSA-N 1 1 346.406 0.521 20 30 ECEDMO C#CCCOc1ccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000295016549 436961658 /nfs/dbraw/zinc/96/16/58/436961658.db2.gz YOMQFJSUNPPPPF-UHFFFAOYSA-N 1 1 343.427 0.983 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN(C)CCN1C)N[C@H]1CCOc2ccccc21 ZINC000262794569 436941814 /nfs/dbraw/zinc/94/18/14/436941814.db2.gz OYGRIKQBBXLQQO-HOCLYGCPSA-N 1 1 331.464 0.921 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281227857 436957205 /nfs/dbraw/zinc/95/72/05/436957205.db2.gz OEDDAOFZTBQTNA-RHSMWYFYSA-N 1 1 326.400 0.766 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296095980 436983137 /nfs/dbraw/zinc/98/31/37/436983137.db2.gz GCVSDTXBGFVUEE-CQSZACIVSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296095980 436983141 /nfs/dbraw/zinc/98/31/41/436983141.db2.gz GCVSDTXBGFVUEE-CQSZACIVSA-N 1 1 341.408 0.822 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCN1c2ccccc2CC1=O ZINC000296268704 436987810 /nfs/dbraw/zinc/98/78/10/436987810.db2.gz HJKPLCWLFPHYLY-UHFFFAOYSA-N 1 1 328.416 0.830 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000296725120 436997520 /nfs/dbraw/zinc/99/75/20/436997520.db2.gz CLGOOMPPBQOWTK-HNNXBMFYSA-N 1 1 330.432 0.946 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCCO[C@@H]1c1nccn1C ZINC000297486034 437007655 /nfs/dbraw/zinc/00/76/55/437007655.db2.gz MWYQWCWERPYCJL-GJZGRUSLSA-N 1 1 333.436 0.895 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282090494 437010186 /nfs/dbraw/zinc/01/01/86/437010186.db2.gz RWFIZKMRIWIMFD-UHFFFAOYSA-N 1 1 342.443 0.749 20 30 ECEDMO C#CCN(CC)C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000299216640 437060141 /nfs/dbraw/zinc/06/01/41/437060141.db2.gz XBFQHWZKVCLOCM-UHFFFAOYSA-N 1 1 343.427 0.982 20 30 ECEDMO Cn1cc(N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)cn1 ZINC000173962606 437070043 /nfs/dbraw/zinc/07/00/43/437070043.db2.gz FHKIXHREJKEVHK-QGZVFWFLSA-N 1 1 341.415 0.854 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299357442 437072674 /nfs/dbraw/zinc/07/26/74/437072674.db2.gz PMAUOFPMESACAH-UHFFFAOYSA-N 1 1 332.360 0.913 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264759461 437078983 /nfs/dbraw/zinc/07/89/83/437078983.db2.gz BUJWLDSTMQLEDF-AWEZNQCLSA-N 1 1 329.404 0.167 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000264848752 437095514 /nfs/dbraw/zinc/09/55/14/437095514.db2.gz MPBABTDCOHKDLT-INIZCTEOSA-N 1 1 343.431 0.151 20 30 ECEDMO Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)nn1CCC#N ZINC000331486240 437105584 /nfs/dbraw/zinc/10/55/84/437105584.db2.gz URVIRXNKHYKMAW-OAHLLOKOSA-N 1 1 346.435 1.291 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)CC1 ZINC000305083130 437159519 /nfs/dbraw/zinc/15/95/19/437159519.db2.gz TUTLYBWLYGGLOC-SFHVURJKSA-N 1 1 327.428 0.356 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@@H]2CO)CC1 ZINC000305083130 437159523 /nfs/dbraw/zinc/15/95/23/437159523.db2.gz TUTLYBWLYGGLOC-SFHVURJKSA-N 1 1 327.428 0.356 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)NCC2(S(C)(=O)=O)CC2)CC1 ZINC000331787081 437160413 /nfs/dbraw/zinc/16/04/13/437160413.db2.gz BSXZSEYMQFBZJK-UHFFFAOYSA-N 1 1 329.466 0.903 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001077981234 782065691 /nfs/dbraw/zinc/06/56/91/782065691.db2.gz DXSPCHILYXQRST-ZIAGYGMSSA-N 1 1 330.392 0.161 20 30 ECEDMO CCc1nnc(NC[C@@](C)(O)C[NH+]2CCOCC2)c(C#N)c1CC ZINC000301651265 437129430 /nfs/dbraw/zinc/12/94/30/437129430.db2.gz SDIMIRZUQBIACY-QGZVFWFLSA-N 1 1 333.436 0.968 20 30 ECEDMO C[C@H]1C[N@H+](C2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)CCO1 ZINC000332043385 437200187 /nfs/dbraw/zinc/20/01/87/437200187.db2.gz JWVWFKWYDHYIEN-AWEZNQCLSA-N 1 1 343.431 1.077 20 30 ECEDMO CN(C)CC[NH+]1CCC(NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000328707646 437254547 /nfs/dbraw/zinc/25/45/47/437254547.db2.gz QBQKWNZZCIKOMZ-GASCZTMLSA-N 1 1 326.441 0.026 20 30 ECEDMO C[C@H]1CCCC[N@H+]1CCC(=O)NCCN1CCS(=O)(=O)CC1 ZINC000328764639 437261244 /nfs/dbraw/zinc/26/12/44/437261244.db2.gz GKILVNDAPLWQPE-AWEZNQCLSA-N 1 1 331.482 0.938 20 30 ECEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000336905394 437308274 /nfs/dbraw/zinc/30/82/74/437308274.db2.gz DSMDFACNZVSNBX-ZIAGYGMSSA-N 1 1 344.481 0.556 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000336909393 437309248 /nfs/dbraw/zinc/30/92/48/437309248.db2.gz GYBRXIFOHQDZIZ-UHFFFAOYSA-N 1 1 325.438 0.832 20 30 ECEDMO C[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000336924000 437312047 /nfs/dbraw/zinc/31/20/47/437312047.db2.gz VDGDGPNDPPUZNB-MCIONIFRSA-N 1 1 330.454 0.166 20 30 ECEDMO C[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000336923999 437312247 /nfs/dbraw/zinc/31/22/47/437312247.db2.gz VDGDGPNDPPUZNB-HZSPNIEDSA-N 1 1 330.454 0.166 20 30 ECEDMO CCC[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC[N@@H+]1CCOC ZINC000336936813 437314289 /nfs/dbraw/zinc/31/42/89/437314289.db2.gz GKVNFOMYDBGJJN-HUUCEWRRSA-N 1 1 346.497 0.755 20 30 ECEDMO CCC[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC[N@H+]1CCOC ZINC000336936813 437314293 /nfs/dbraw/zinc/31/42/93/437314293.db2.gz GKVNFOMYDBGJJN-HUUCEWRRSA-N 1 1 346.497 0.755 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000181246408 437314829 /nfs/dbraw/zinc/31/48/29/437314829.db2.gz MIRCJQUKXKDYQG-CYBMUJFWSA-N 1 1 339.461 0.889 20 30 ECEDMO C[C@@H](CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)C[NH+]1CCOCC1 ZINC000329092069 437316327 /nfs/dbraw/zinc/31/63/27/437316327.db2.gz XAEZENDXMHFIDG-MJBXVCDLSA-N 1 1 339.440 0.171 20 30 ECEDMO C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC[N@H+](CC)CCC)C1=O ZINC000288393320 437316405 /nfs/dbraw/zinc/31/64/05/437316405.db2.gz YIMWVGUPIPBCHR-CQSZACIVSA-N 1 1 338.452 0.080 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000336944745 437316792 /nfs/dbraw/zinc/31/67/92/437316792.db2.gz MRNHZPJGDOMQQY-AWEZNQCLSA-N 1 1 332.470 0.556 20 30 ECEDMO C#CCC(CC#C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000278563100 437321844 /nfs/dbraw/zinc/32/18/44/437321844.db2.gz HYUVYKJJFSIHSM-UHFFFAOYSA-N 1 1 329.444 0.806 20 30 ECEDMO C#CCC(CC#C)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000278563100 437321847 /nfs/dbraw/zinc/32/18/47/437321847.db2.gz HYUVYKJJFSIHSM-UHFFFAOYSA-N 1 1 329.444 0.806 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@]2(O)CCOC2)C[C@H](C)O1 ZINC000328855873 437273163 /nfs/dbraw/zinc/27/31/63/437273163.db2.gz UALLAQAYGXNNQL-DVOMOZLQSA-N 1 1 329.441 0.529 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@]2(O)CCOC2)C[C@H](C)O1 ZINC000328855873 437273166 /nfs/dbraw/zinc/27/31/66/437273166.db2.gz UALLAQAYGXNNQL-DVOMOZLQSA-N 1 1 329.441 0.529 20 30 ECEDMO C=CCNC(=O)CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000180406836 437288815 /nfs/dbraw/zinc/28/88/15/437288815.db2.gz FRCLBCVYSRUHCS-UHFFFAOYSA-N 1 1 328.376 0.677 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000328967137 437293604 /nfs/dbraw/zinc/29/36/04/437293604.db2.gz NGLNDEADWIACMC-HUUCEWRRSA-N 1 1 345.399 0.877 20 30 ECEDMO CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000328967952 437294333 /nfs/dbraw/zinc/29/43/33/437294333.db2.gz AEKHVNYMFVWBRH-ASEORRQLSA-N 1 1 334.424 0.963 20 30 ECEDMO CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000328967952 437294338 /nfs/dbraw/zinc/29/43/38/437294338.db2.gz AEKHVNYMFVWBRH-ASEORRQLSA-N 1 1 334.424 0.963 20 30 ECEDMO CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000328967952 437294344 /nfs/dbraw/zinc/29/43/44/437294344.db2.gz AEKHVNYMFVWBRH-ASEORRQLSA-N 1 1 334.424 0.963 20 30 ECEDMO Cc1[nH+]ccn1C[C@@H](C)C[NH+]=C([O-])N1CCCS(=O)(=O)CC1 ZINC000328974701 437296899 /nfs/dbraw/zinc/29/68/99/437296899.db2.gz BBKUEPFJWQKCCW-LBPRGKRZSA-N 1 1 328.438 0.862 20 30 ECEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCCS(=O)(=O)CC1 ZINC000328974701 437296907 /nfs/dbraw/zinc/29/69/07/437296907.db2.gz BBKUEPFJWQKCCW-LBPRGKRZSA-N 1 1 328.438 0.862 20 30 ECEDMO CC[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000329278094 437345769 /nfs/dbraw/zinc/34/57/69/437345769.db2.gz LXKIICWJKVWFQG-AWEZNQCLSA-N 1 1 326.441 0.565 20 30 ECEDMO CC(C)[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C1=O)N1CC[NH+](C)CC1 ZINC000329433523 437368310 /nfs/dbraw/zinc/36/83/10/437368310.db2.gz IZXHHVLTRJSTPW-CABCVRRESA-N 1 1 339.484 0.335 20 30 ECEDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000329917722 437431488 /nfs/dbraw/zinc/43/14/88/437431488.db2.gz ZMMYJYJUZGXEEG-ZIAGYGMSSA-N 1 1 346.497 0.249 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000329751711 437410114 /nfs/dbraw/zinc/41/01/14/437410114.db2.gz VVOOSGBPRFIGGD-DZGCQCFKSA-N 1 1 329.466 0.481 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCOCC2(CCOCC2)C1 ZINC000329753802 437410187 /nfs/dbraw/zinc/41/01/87/437410187.db2.gz KHXGGMGLBFJAQT-HNNXBMFYSA-N 1 1 340.468 0.275 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000329826627 437417683 /nfs/dbraw/zinc/41/76/83/437417683.db2.gz CKPIUEPSLGYGME-MELADBBJSA-N 1 1 347.481 0.866 20 30 ECEDMO CC(C)c1nnc(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)s1 ZINC000329845188 437421261 /nfs/dbraw/zinc/42/12/61/437421261.db2.gz QELSQCHASWMWGY-NSHDSACASA-N 1 1 326.470 0.911 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000329857854 437421806 /nfs/dbraw/zinc/42/18/06/437421806.db2.gz VPWJAFIDLCHEJK-AWEZNQCLSA-N 1 1 335.456 1.355 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000329857855 437422640 /nfs/dbraw/zinc/42/26/40/437422640.db2.gz VPWJAFIDLCHEJK-CQSZACIVSA-N 1 1 335.456 1.355 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CN2CCOCC2=O)C[C@@H](C)O1 ZINC000329885389 437425067 /nfs/dbraw/zinc/42/50/67/437425067.db2.gz UOQRTEUDMMAPSA-CHWSQXEVSA-N 1 1 327.425 0.690 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000337760873 437378870 /nfs/dbraw/zinc/37/88/70/437378870.db2.gz KDIFINHBGCHCRE-KGLIPLIRSA-N 1 1 332.470 0.556 20 30 ECEDMO CC(C)N1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000329522961 437379537 /nfs/dbraw/zinc/37/95/37/437379537.db2.gz RJYWSWVDZSENML-CQSZACIVSA-N 1 1 326.441 0.421 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337785437 437379768 /nfs/dbraw/zinc/37/97/68/437379768.db2.gz WUUFCLAHFPXREP-LSDHHAIUSA-N 1 1 344.481 0.509 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cnc3c(c2)nnn3C)CC1 ZINC000329700754 437402300 /nfs/dbraw/zinc/40/23/00/437402300.db2.gz ZZXKJSZDTZBOEZ-UHFFFAOYSA-N 1 1 345.407 0.221 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCc2ncnn2C1 ZINC000330257111 437476909 /nfs/dbraw/zinc/47/69/09/437476909.db2.gz LEMFJINJFWVRQX-KBPBESRZSA-N 1 1 348.451 0.692 20 30 ECEDMO O=C(N[C@@H]1CCn2ccnc2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330275900 437478232 /nfs/dbraw/zinc/47/82/32/437478232.db2.gz MEDJGOQITRREBB-LSDHHAIUSA-N 1 1 333.436 0.766 20 30 ECEDMO C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ncnn1C ZINC000329943852 437434048 /nfs/dbraw/zinc/43/40/48/437434048.db2.gz WKVFDESVDCPWTR-LSDHHAIUSA-N 1 1 349.483 0.892 20 30 ECEDMO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000339049476 437437350 /nfs/dbraw/zinc/43/73/50/437437350.db2.gz ZGIKVEODGXMNEO-JTQLQIEISA-N 1 1 336.373 0.981 20 30 ECEDMO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000339049476 437437356 /nfs/dbraw/zinc/43/73/56/437437356.db2.gz ZGIKVEODGXMNEO-JTQLQIEISA-N 1 1 336.373 0.981 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000185483492 437440561 /nfs/dbraw/zinc/44/05/61/437440561.db2.gz MVAPKFJXQSKVGH-UHFFFAOYSA-N 1 1 343.391 0.575 20 30 ECEDMO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1 ZINC000330124398 437457629 /nfs/dbraw/zinc/45/76/29/437457629.db2.gz BCNYCBNTLGMGRT-ZIAGYGMSSA-N 1 1 331.482 0.999 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC000330118573 437457737 /nfs/dbraw/zinc/45/77/37/437457737.db2.gz YTZNGMVNTBFYFF-ZIAGYGMSSA-N 1 1 337.424 0.901 20 30 ECEDMO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2cccnn2)CC1 ZINC000330190478 437465769 /nfs/dbraw/zinc/46/57/69/437465769.db2.gz MNCXNKCJYSXWNI-CYBMUJFWSA-N 1 1 327.392 0.724 20 30 ECEDMO CC(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000330212856 437469022 /nfs/dbraw/zinc/46/90/22/437469022.db2.gz KNDWPWDMISJXKJ-HOCLYGCPSA-N 1 1 340.468 0.715 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000330377344 437496176 /nfs/dbraw/zinc/49/61/76/437496176.db2.gz FEFJEFAOZQZQNH-UONOGXRCSA-N 1 1 346.497 0.490 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339723824 437500826 /nfs/dbraw/zinc/50/08/26/437500826.db2.gz MBEQHFWANDWFRC-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330409660 437505537 /nfs/dbraw/zinc/50/55/37/437505537.db2.gz YHTCNDIYNGDPLT-MCIONIFRSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330409660 437505541 /nfs/dbraw/zinc/50/55/41/437505541.db2.gz YHTCNDIYNGDPLT-MCIONIFRSA-N 1 1 332.470 0.100 20 30 ECEDMO CC(=O)N1CC[NH+](Cc2ccccc2NCC(=O)NCC#N)CC1 ZINC000187526421 437505690 /nfs/dbraw/zinc/50/56/90/437505690.db2.gz ZEBSRBWSFCRTFV-UHFFFAOYSA-N 1 1 329.404 0.402 20 30 ECEDMO NC(=O)NC[C@H]1CCCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000330483001 437526686 /nfs/dbraw/zinc/52/66/86/437526686.db2.gz YNFGVKDFLYXCLZ-CYBMUJFWSA-N 1 1 327.429 0.417 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC000330632595 437572457 /nfs/dbraw/zinc/57/24/57/437572457.db2.gz IIEQDFKXHLHHDI-KBPBESRZSA-N 1 1 327.425 0.895 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)N2CCC[C@H]2C(=O)OCC)CC1 ZINC000330647303 437578384 /nfs/dbraw/zinc/57/83/84/437578384.db2.gz HMXMRYFMCUKCLE-AWEZNQCLSA-N 1 1 345.465 0.499 20 30 ECEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC(=O)NC)c2)C[C@@H]1C ZINC000330666178 437583153 /nfs/dbraw/zinc/58/31/53/437583153.db2.gz WFCQCSUUQBLBIM-GXTWGEPZSA-N 1 1 336.440 0.979 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000343734641 437640080 /nfs/dbraw/zinc/64/00/80/437640080.db2.gz DANBSMZXFSWSKW-KRWDZBQOSA-N 1 1 348.491 0.886 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC2(CC1)[C@H](O)C[C@H]2OCC ZINC000360941904 437653129 /nfs/dbraw/zinc/65/31/29/437653129.db2.gz OBJDJXZBLDHPJJ-CHWSQXEVSA-N 1 1 325.409 0.250 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)CCCN2CCOCC2)CC1 ZINC000361561355 437672180 /nfs/dbraw/zinc/67/21/80/437672180.db2.gz JAQANOZQFJZMMR-UHFFFAOYSA-N 1 1 331.482 0.279 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000331027630 437675562 /nfs/dbraw/zinc/67/55/62/437675562.db2.gz XJGXDBFKMCPENG-ZDUSSCGKSA-N 1 1 339.440 0.702 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(CC(=O)OC)CC1 ZINC000355275067 437692638 /nfs/dbraw/zinc/69/26/38/437692638.db2.gz GAQJFKYBMJRKRL-QGZVFWFLSA-N 1 1 348.443 0.945 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](CCCN3C(=O)CNC3=O)CC2)nc1 ZINC000193500392 437710984 /nfs/dbraw/zinc/71/09/84/437710984.db2.gz QVXLQDCZVGMNKA-UHFFFAOYSA-N 1 1 328.376 0.017 20 30 ECEDMO CCOC(=O)c1cnc(NC(=O)NC[C@H]2CN(C)CCN2C)n1C ZINC000331245865 437725316 /nfs/dbraw/zinc/72/53/16/437725316.db2.gz UJWQVVLNOJLAIJ-NSHDSACASA-N 1 1 338.412 0.169 20 30 ECEDMO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000331269483 437730868 /nfs/dbraw/zinc/73/08/68/437730868.db2.gz LVPXSRMODSCEGY-LBPRGKRZSA-N 1 1 329.397 0.061 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000331289814 437733665 /nfs/dbraw/zinc/73/36/65/437733665.db2.gz JHFRKAWPYBEWDV-ZIAGYGMSSA-N 1 1 346.497 0.631 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000340787481 437733925 /nfs/dbraw/zinc/73/39/25/437733925.db2.gz IEMCOFRXSAWJDQ-INIZCTEOSA-N 1 1 338.496 0.801 20 30 ECEDMO C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331307022 437738046 /nfs/dbraw/zinc/73/80/46/437738046.db2.gz SCPQWCZVIGWWHW-ZDUSSCGKSA-N 1 1 348.513 0.291 20 30 ECEDMO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000340805048 437739701 /nfs/dbraw/zinc/73/97/01/437739701.db2.gz VVYCIFZFTUGCKK-CVEARBPZSA-N 1 1 338.496 0.847 20 30 ECEDMO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000356181738 437753697 /nfs/dbraw/zinc/75/36/97/437753697.db2.gz BPLFLPZOHIKELB-UHFFFAOYSA-N 1 1 349.416 0.578 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)nn1CCC#N ZINC000344441443 437755708 /nfs/dbraw/zinc/75/57/08/437755708.db2.gz LJCGPLGBZQAKBE-STQMWFEESA-N 1 1 332.408 0.643 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000346675613 437819164 /nfs/dbraw/zinc/81/91/64/437819164.db2.gz WOBMKKPIVQJXNR-RDJZCZTQSA-N 1 1 333.432 0.686 20 30 ECEDMO C[C@@H](CO)N1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000346675613 437819168 /nfs/dbraw/zinc/81/91/68/437819168.db2.gz WOBMKKPIVQJXNR-RDJZCZTQSA-N 1 1 333.432 0.686 20 30 ECEDMO C[C@@H](CO)N1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000346675613 437819172 /nfs/dbraw/zinc/81/91/72/437819172.db2.gz WOBMKKPIVQJXNR-RDJZCZTQSA-N 1 1 333.432 0.686 20 30 ECEDMO C[NH+](C)[C@]1(C(=O)N2CCN(CC#N)CC2)CCOc2ccccc21 ZINC000363287466 437779387 /nfs/dbraw/zinc/77/93/87/437779387.db2.gz AUUJGXRYCFIZCM-GOSISDBHSA-N 1 1 328.416 0.894 20 30 ECEDMO C[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C[NH+]1CCOCC1 ZINC000363337980 437784877 /nfs/dbraw/zinc/78/48/77/437784877.db2.gz YCVHBWSSZFVQEN-HOCLYGCPSA-N 1 1 335.452 0.336 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000363678564 437805028 /nfs/dbraw/zinc/80/50/28/437805028.db2.gz LMIFXWAKRLXLAP-LBPRGKRZSA-N 1 1 347.419 0.609 20 30 ECEDMO CC(=O)NCC[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347623568 437916954 /nfs/dbraw/zinc/91/69/54/437916954.db2.gz LVXRDZLBODXBQS-MRXNPFEDSA-N 1 1 333.436 0.881 20 30 ECEDMO C=CCCn1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000424633056 437980804 /nfs/dbraw/zinc/98/08/04/437980804.db2.gz CICXFQJXRMDDKU-HNNXBMFYSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)nn1 ZINC000424723922 437987027 /nfs/dbraw/zinc/98/70/27/437987027.db2.gz DJFNUACVKFBKOE-UHFFFAOYSA-N 1 1 334.424 0.090 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000425878345 438046405 /nfs/dbraw/zinc/04/64/05/438046405.db2.gz PSDXPPZNZYLFDU-IHRRRGAJSA-N 1 1 325.409 0.324 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428815458 438096102 /nfs/dbraw/zinc/09/61/02/438096102.db2.gz JFGJPWRTSYXTKW-SFHVURJKSA-N 1 1 345.399 0.815 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428815458 438096106 /nfs/dbraw/zinc/09/61/06/438096106.db2.gz JFGJPWRTSYXTKW-SFHVURJKSA-N 1 1 345.399 0.815 20 30 ECEDMO C=CCNC(=O)NC(=O)CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372331078 438069398 /nfs/dbraw/zinc/06/93/98/438069398.db2.gz NGUKCXFVUUPINH-QLFBSQMISA-N 1 1 338.452 0.477 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000372331078 438069402 /nfs/dbraw/zinc/06/94/02/438069402.db2.gz NGUKCXFVUUPINH-QLFBSQMISA-N 1 1 338.452 0.477 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000358090239 438149792 /nfs/dbraw/zinc/14/97/92/438149792.db2.gz IIPCESGKXBDSLS-OAHLLOKOSA-N 1 1 336.779 0.333 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)NCC[N@H+](C)C(C)C)CC2)c1C#N ZINC000349772371 438179300 /nfs/dbraw/zinc/17/93/00/438179300.db2.gz NVRGDICVASEHTN-UHFFFAOYSA-N 1 1 347.467 0.772 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358206184 438180416 /nfs/dbraw/zinc/18/04/16/438180416.db2.gz JLWSXCGJKRSVSL-KGLIPLIRSA-N 1 1 331.482 0.800 20 30 ECEDMO CN1CCN(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)C(=O)C1 ZINC000374730816 438225851 /nfs/dbraw/zinc/22/58/51/438225851.db2.gz JAOODSFECZVNRA-GOSISDBHSA-N 1 1 347.463 0.033 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000374413743 438206827 /nfs/dbraw/zinc/20/68/27/438206827.db2.gz DXDQIKIEZMESFW-MCIONIFRSA-N 1 1 330.454 0.166 20 30 ECEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCNC[C@H]1C)C(C)C ZINC000419572126 438363144 /nfs/dbraw/zinc/36/31/44/438363144.db2.gz QFYOFGJSYKIBEJ-CVEARBPZSA-N 1 1 336.480 0.622 20 30 ECEDMO C=C(C)CS(=O)(=O)N1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000369184850 438433072 /nfs/dbraw/zinc/43/30/72/438433072.db2.gz SGBAKMPDNIMVHQ-HNNXBMFYSA-N 1 1 331.482 0.231 20 30 ECEDMO C=C(C)CS(=O)(=O)N1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369184850 438433079 /nfs/dbraw/zinc/43/30/79/438433079.db2.gz SGBAKMPDNIMVHQ-HNNXBMFYSA-N 1 1 331.482 0.231 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369208429 438439586 /nfs/dbraw/zinc/43/95/86/438439586.db2.gz XURZFAIAIKXIDS-LXTVHRRPSA-N 1 1 326.466 0.881 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369348043 438457473 /nfs/dbraw/zinc/45/74/73/438457473.db2.gz RQCPOOZRTZOKQB-AEFFLSMTSA-N 1 1 335.496 0.753 20 30 ECEDMO CC[N@H+]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@H](C)C1 ZINC000352674330 438461125 /nfs/dbraw/zinc/46/11/25/438461125.db2.gz PTWLDJIXFYEQOE-SJORKVTESA-N 1 1 335.496 0.705 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353094533 438501314 /nfs/dbraw/zinc/50/13/14/438501314.db2.gz CDSMBHSPUMBQRS-KRWDZBQOSA-N 1 1 325.453 0.838 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H]2CC[C@H](O)CC2)CC1 ZINC000439297464 438506560 /nfs/dbraw/zinc/50/65/60/438506560.db2.gz SAZVHRUZZXOSDM-BRWVUGGUSA-N 1 1 336.480 0.914 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000422220015 438533716 /nfs/dbraw/zinc/53/37/16/438533716.db2.gz QUBGVSXVNRAJJK-UHFFFAOYSA-N 1 1 349.460 0.925 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)NCc2ccc(C#N)s2)CC[N@@H+](C)C1 ZINC000422227391 438535836 /nfs/dbraw/zinc/53/58/36/438535836.db2.gz GGLBVUIEYMTGPX-LLVKDONJSA-N 1 1 336.417 0.866 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000441013229 438574711 /nfs/dbraw/zinc/57/47/11/438574711.db2.gz UBHSHTUJTWWTMI-TZMCWYRMSA-N 1 1 346.435 1.073 20 30 ECEDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C[C@@H]1C ZINC000441116963 438577966 /nfs/dbraw/zinc/57/79/66/438577966.db2.gz LIOPSMFSQHSBQJ-STQMWFEESA-N 1 1 346.435 1.215 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C[C@@H]1C ZINC000441116963 438577969 /nfs/dbraw/zinc/57/79/69/438577969.db2.gz LIOPSMFSQHSBQJ-STQMWFEESA-N 1 1 346.435 1.215 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000441235687 438580543 /nfs/dbraw/zinc/58/05/43/438580543.db2.gz SOQTVDQNRQQITF-SWLSCSKDSA-N 1 1 325.409 0.240 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)nn1CCC#N ZINC000442301721 438604537 /nfs/dbraw/zinc/60/45/37/438604537.db2.gz INJLEVJQNXXKAH-QWHCGFSZSA-N 1 1 332.408 0.595 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)nn1CCC#N ZINC000442301721 438604538 /nfs/dbraw/zinc/60/45/38/438604538.db2.gz INJLEVJQNXXKAH-QWHCGFSZSA-N 1 1 332.408 0.595 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000447397718 438676784 /nfs/dbraw/zinc/67/67/84/438676784.db2.gz OTBZXUXZVFHWAO-OWCLPIDISA-N 1 1 341.452 0.340 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000447397718 438676786 /nfs/dbraw/zinc/67/67/86/438676786.db2.gz OTBZXUXZVFHWAO-OWCLPIDISA-N 1 1 341.452 0.340 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411833167 438681851 /nfs/dbraw/zinc/68/18/51/438681851.db2.gz HJENWDFUGQGBCF-UHFFFAOYSA-N 1 1 341.477 0.687 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000411933355 438682912 /nfs/dbraw/zinc/68/29/12/438682912.db2.gz AXUUPSOGHUYBTR-HZPDHXFCSA-N 1 1 349.479 0.089 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000411915264 438683082 /nfs/dbraw/zinc/68/30/82/438683082.db2.gz ZAYRMKVASDXWNY-GJZGRUSLSA-N 1 1 325.453 0.836 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(C)C[C@H](C(=O)OC)C1 ZINC000411915264 438683089 /nfs/dbraw/zinc/68/30/89/438683089.db2.gz ZAYRMKVASDXWNY-GJZGRUSLSA-N 1 1 325.453 0.836 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(C)C[C@H](C(=O)OC)C1 ZINC000411915264 438683093 /nfs/dbraw/zinc/68/30/93/438683093.db2.gz ZAYRMKVASDXWNY-GJZGRUSLSA-N 1 1 325.453 0.836 20 30 ECEDMO N#CC1(c2ccccn2)CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000548884163 438734403 /nfs/dbraw/zinc/73/44/03/438734403.db2.gz WTBBODNEZYXQPL-MRXNPFEDSA-N 1 1 339.443 0.855 20 30 ECEDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1C#N ZINC000451667557 438707211 /nfs/dbraw/zinc/70/72/11/438707211.db2.gz JHKQLJUVMJKUNK-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)ccc1C#N ZINC000451667557 438707215 /nfs/dbraw/zinc/70/72/15/438707215.db2.gz JHKQLJUVMJKUNK-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1F ZINC000451675153 438707888 /nfs/dbraw/zinc/70/78/88/438707888.db2.gz ZUSNVNJIGYNMIK-ZDUSSCGKSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1F ZINC000451675153 438707890 /nfs/dbraw/zinc/70/78/90/438707890.db2.gz ZUSNVNJIGYNMIK-ZDUSSCGKSA-N 1 1 341.408 0.822 20 30 ECEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@@H](C)C1 ZINC000554128523 438761007 /nfs/dbraw/zinc/76/10/07/438761007.db2.gz MJKNYHFWLZVRHX-SQWLQELKSA-N 1 1 327.432 1.554 20 30 ECEDMO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H](C)[N@@H+]1CCO ZINC000456239201 438766296 /nfs/dbraw/zinc/76/62/96/438766296.db2.gz JXXMUHPYNBHPOQ-OKILXGFUSA-N 1 1 344.415 0.202 20 30 ECEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588123925 438819323 /nfs/dbraw/zinc/81/93/23/438819323.db2.gz OZEPVLVOGGZCBJ-INIZCTEOSA-N 1 1 349.479 0.471 20 30 ECEDMO C[C@@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](C)C[N@H+]1CCO ZINC000595550339 438822397 /nfs/dbraw/zinc/82/23/97/438822397.db2.gz HAZDUOZQEWGRFF-SOLBZPMBSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](C)CN1CCO ZINC000595550339 438822404 /nfs/dbraw/zinc/82/24/04/438822404.db2.gz HAZDUOZQEWGRFF-SOLBZPMBSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](C)CN1CCO ZINC000595550339 438822406 /nfs/dbraw/zinc/82/24/06/438822406.db2.gz HAZDUOZQEWGRFF-SOLBZPMBSA-N 1 1 347.459 0.879 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](Nc2nc(C)cc(C#N)n2)CC1=O ZINC000601178058 438826967 /nfs/dbraw/zinc/82/69/67/438826967.db2.gz JSQYJWZIZGIYAR-CQSZACIVSA-N 1 1 332.408 0.248 20 30 ECEDMO N#Cc1sccc1N1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000595632333 438836694 /nfs/dbraw/zinc/83/66/94/438836694.db2.gz NTPMJLQEJFLEPP-UHFFFAOYSA-N 1 1 334.445 0.991 20 30 ECEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000563255429 438862820 /nfs/dbraw/zinc/86/28/20/438862820.db2.gz HLCYUEFCPPIBKO-CABCVRRESA-N 1 1 342.465 0.119 20 30 ECEDMO N#Cc1cccc(CNC(=O)CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595864455 438873398 /nfs/dbraw/zinc/87/33/98/438873398.db2.gz ANHCHQXFBUGHEZ-SFHVURJKSA-N 1 1 342.443 0.705 20 30 ECEDMO CC[N@H+]1CCCN(S(=O)(=O)N(CCC#N)CCOC)[C@H](C)C1 ZINC000601439344 438893684 /nfs/dbraw/zinc/89/36/84/438893684.db2.gz DSJNIEHFFGVFCG-CQSZACIVSA-N 1 1 332.470 0.509 20 30 ECEDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000590315011 438909436 /nfs/dbraw/zinc/90/94/36/438909436.db2.gz CNJBFPJRORHQSW-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000590315011 438909441 /nfs/dbraw/zinc/90/94/41/438909441.db2.gz CNJBFPJRORHQSW-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601476239 438909782 /nfs/dbraw/zinc/90/97/82/438909782.db2.gz KTNGECYFVOFQCN-CVEARBPZSA-N 1 1 347.463 0.129 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2ccc(C#N)cc2=O)C1 ZINC000596329511 438956272 /nfs/dbraw/zinc/95/62/72/438956272.db2.gz MQEBIHGTIPNDFV-OAHLLOKOSA-N 1 1 332.404 0.193 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NCCc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000596669522 438987989 /nfs/dbraw/zinc/98/79/89/438987989.db2.gz OBZSIWDXWKEDAA-INIZCTEOSA-N 1 1 344.415 0.847 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000602018647 438997455 /nfs/dbraw/zinc/99/74/55/438997455.db2.gz HDKYANGKIOSVMJ-UHFFFAOYSA-N 1 1 347.394 0.390 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000596783393 438999008 /nfs/dbraw/zinc/99/90/08/438999008.db2.gz GTYYLOUNXKZTBY-UHFFFAOYSA-N 1 1 336.342 0.777 20 30 ECEDMO COCCOCC[N@H+](C)CCC(=O)NC1(C#N)CCN(C)CC1 ZINC000602094482 439011039 /nfs/dbraw/zinc/01/10/39/439011039.db2.gz ABVTXHWXWNCOOY-UHFFFAOYSA-N 1 1 326.441 0.075 20 30 ECEDMO COCCOCC[N@@H+](C)CCC(=O)NC1(C#N)CCN(C)CC1 ZINC000602094482 439011043 /nfs/dbraw/zinc/01/10/43/439011043.db2.gz ABVTXHWXWNCOOY-UHFFFAOYSA-N 1 1 326.441 0.075 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)C1 ZINC000602238169 439044866 /nfs/dbraw/zinc/04/48/66/439044866.db2.gz NWNNBCZLGKKNDI-INIZCTEOSA-N 1 1 349.479 0.281 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC2)c1 ZINC000460004448 439055127 /nfs/dbraw/zinc/05/51/27/439055127.db2.gz JQHIDQSYEWYPNB-AWEZNQCLSA-N 1 1 329.404 0.657 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000597218649 439057897 /nfs/dbraw/zinc/05/78/97/439057897.db2.gz QXJVRCGNOICAMU-CQSZACIVSA-N 1 1 341.477 0.079 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000602193817 439037738 /nfs/dbraw/zinc/03/77/38/439037738.db2.gz IBLMKVOWSHHBRC-KRWDZBQOSA-N 1 1 342.443 0.991 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](O)C3(C)C)CC2)o1 ZINC000580141946 439066221 /nfs/dbraw/zinc/06/62/21/439066221.db2.gz SDYCYHPLQMNQOP-CQSZACIVSA-N 1 1 347.419 0.349 20 30 ECEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)C1 ZINC000580271225 439075298 /nfs/dbraw/zinc/07/52/98/439075298.db2.gz KHRHCSGZEKVXOE-OUCADQQQSA-N 1 1 331.420 0.122 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@@](C)(CO)C1 ZINC000602963571 439170742 /nfs/dbraw/zinc/17/07/42/439170742.db2.gz GXWVHSQMWCJURG-BPQIPLTHSA-N 1 1 334.416 0.964 20 30 ECEDMO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000597626995 439143697 /nfs/dbraw/zinc/14/36/97/439143697.db2.gz WFMAJVIQYUTLQR-MSOLQXFVSA-N 1 1 337.427 0.747 20 30 ECEDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](O)C(F)(F)F ZINC000592431446 439226736 /nfs/dbraw/zinc/22/67/36/439226736.db2.gz ZLJMEGOFWXCUQO-KWQFWETISA-N 1 1 337.323 0.628 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000567852655 439187296 /nfs/dbraw/zinc/18/72/96/439187296.db2.gz JIMDQZDLLLGZIC-YQQAZPJKSA-N 1 1 326.437 0.557 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000592333808 439205886 /nfs/dbraw/zinc/20/58/86/439205886.db2.gz SLHBDEKUYAOBBM-UHFFFAOYSA-N 1 1 332.404 0.063 20 30 ECEDMO N#Cc1ncn(CC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000597993147 439210140 /nfs/dbraw/zinc/21/01/40/439210140.db2.gz ZRWOXWLMQUUUSI-HNNXBMFYSA-N 1 1 340.387 0.033 20 30 ECEDMO COCCC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000598597097 439285009 /nfs/dbraw/zinc/28/50/09/439285009.db2.gz VHHPAGJRQGMZAX-UONOGXRCSA-N 1 1 332.466 0.813 20 30 ECEDMO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603410265 439255359 /nfs/dbraw/zinc/25/53/59/439255359.db2.gz HIYFBDXVDHRVFF-OAHLLOKOSA-N 1 1 345.447 0.423 20 30 ECEDMO N#CCCCCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603428124 439259808 /nfs/dbraw/zinc/25/98/08/439259808.db2.gz KIOCRQSXBZKPGA-INIZCTEOSA-N 1 1 337.468 0.776 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490924176 439312923 /nfs/dbraw/zinc/31/29/23/439312923.db2.gz OEFXDNIXMDOZPN-GUTXKFCHSA-N 1 1 339.461 0.444 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490924176 439312929 /nfs/dbraw/zinc/31/29/29/439312929.db2.gz OEFXDNIXMDOZPN-GUTXKFCHSA-N 1 1 339.461 0.444 20 30 ECEDMO N#Cc1ccc(CNC(=O)CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000604499408 439317097 /nfs/dbraw/zinc/31/70/97/439317097.db2.gz CFGACWJPOXAXBB-GOSISDBHSA-N 1 1 342.443 0.971 20 30 ECEDMO COC(=O)c1cccc(CN2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1C#N ZINC000582346776 439323267 /nfs/dbraw/zinc/32/32/67/439323267.db2.gz BLCUJTWVQFADIN-AWEZNQCLSA-N 1 1 345.399 0.881 20 30 ECEDMO C#CCNC(=O)CN1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000491126988 439337331 /nfs/dbraw/zinc/33/73/31/439337331.db2.gz VAEWDGRNIXMDCF-UHFFFAOYSA-N 1 1 330.432 0.574 20 30 ECEDMO COCc1noc(CN2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)n1 ZINC000598607042 439287504 /nfs/dbraw/zinc/28/75/04/439287504.db2.gz LGCGILBETLMIMU-ZDUSSCGKSA-N 1 1 337.424 0.634 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000528479458 439338323 /nfs/dbraw/zinc/33/83/23/439338323.db2.gz VNINZOFQPGWRMA-GJZGRUSLSA-N 1 1 342.465 0.452 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cn1c2ccccc2n(C)c1=O ZINC000490894056 439306907 /nfs/dbraw/zinc/30/69/07/439306907.db2.gz ZCVBHLGRPGMHAX-CQSZACIVSA-N 1 1 327.384 0.981 20 30 ECEDMO CC(=O)NCC(=O)N1CCC[N@H+](CCOc2ccccc2C#N)CC1 ZINC000528730819 439362830 /nfs/dbraw/zinc/36/28/30/439362830.db2.gz RNNNWZWPYAPMGZ-UHFFFAOYSA-N 1 1 344.415 0.607 20 30 ECEDMO CC(=O)NCC(=O)N1CCC[N@@H+](CCOc2ccccc2C#N)CC1 ZINC000528730819 439362835 /nfs/dbraw/zinc/36/28/35/439362835.db2.gz RNNNWZWPYAPMGZ-UHFFFAOYSA-N 1 1 344.415 0.607 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000491295886 439363110 /nfs/dbraw/zinc/36/31/10/439363110.db2.gz JPYLMERUVPBZHA-AWEZNQCLSA-N 1 1 341.419 0.978 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cccnc1C(=O)OC ZINC000491298980 439365049 /nfs/dbraw/zinc/36/50/49/439365049.db2.gz XQFXVEWGUKSCFE-UHFFFAOYSA-N 1 1 325.390 0.102 20 30 ECEDMO C[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CC[N@H+]1CCO ZINC000528465734 439340010 /nfs/dbraw/zinc/34/00/10/439340010.db2.gz QVBCHDDKPWWACN-OAHLLOKOSA-N 1 1 341.411 0.284 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000528551764 439348882 /nfs/dbraw/zinc/34/88/82/439348882.db2.gz PCNIGCPNERKCMQ-ZIAGYGMSSA-N 1 1 328.438 0.062 20 30 ECEDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528560856 439348938 /nfs/dbraw/zinc/34/89/38/439348938.db2.gz MURGZECFZSIZMC-CVEARBPZSA-N 1 1 346.431 0.986 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000491254226 439357726 /nfs/dbraw/zinc/35/77/26/439357726.db2.gz RHOZBTLFKKXRIL-AWEZNQCLSA-N 1 1 349.456 0.812 20 30 ECEDMO C#C[C@@H]1COCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000491339939 439368212 /nfs/dbraw/zinc/36/82/12/439368212.db2.gz UJMGCCVXTNSBTP-VIYLOZMYSA-N 1 1 348.447 0.114 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)C[C@@](C)(O)c2ccccc2)CC1 ZINC000491487027 439392177 /nfs/dbraw/zinc/39/21/77/439392177.db2.gz ZZHHWIXJNGIOLZ-LJQANCHMSA-N 1 1 329.444 0.603 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)C[C@@](C)(O)c2ccccc2)CC1 ZINC000491487027 439392180 /nfs/dbraw/zinc/39/21/80/439392180.db2.gz ZZHHWIXJNGIOLZ-LJQANCHMSA-N 1 1 329.444 0.603 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000491508191 439395866 /nfs/dbraw/zinc/39/58/66/439395866.db2.gz YVGZRDMLSSZHGQ-UHFFFAOYSA-N 1 1 327.428 0.531 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C(=O)NCCc1ccccc1 ZINC000491463350 439385759 /nfs/dbraw/zinc/38/57/59/439385759.db2.gz MQXLBLYJXFMBAQ-MRXNPFEDSA-N 1 1 344.459 0.988 20 30 ECEDMO CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599278094 439413488 /nfs/dbraw/zinc/41/34/88/439413488.db2.gz ADZYEDMPDHBVLP-KBPBESRZSA-N 1 1 345.465 0.071 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000491623550 439413835 /nfs/dbraw/zinc/41/38/35/439413835.db2.gz FWLBIJRWBGPFMJ-UHFFFAOYSA-N 1 1 329.448 0.518 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000491623550 439413844 /nfs/dbraw/zinc/41/38/44/439413844.db2.gz FWLBIJRWBGPFMJ-UHFFFAOYSA-N 1 1 329.448 0.518 20 30 ECEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000491626965 439414420 /nfs/dbraw/zinc/41/44/20/439414420.db2.gz JHTQSTSVYUVSHY-LBPRGKRZSA-N 1 1 349.435 0.638 20 30 ECEDMO C#C[C@H](C)[N@H+](C)CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000491626965 439414426 /nfs/dbraw/zinc/41/44/26/439414426.db2.gz JHTQSTSVYUVSHY-LBPRGKRZSA-N 1 1 349.435 0.638 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000491725061 439435631 /nfs/dbraw/zinc/43/56/31/439435631.db2.gz CUBIMELJYWPBHW-CABCVRRESA-N 1 1 341.477 0.693 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000491725061 439435633 /nfs/dbraw/zinc/43/56/33/439435633.db2.gz CUBIMELJYWPBHW-CABCVRRESA-N 1 1 341.477 0.693 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C2OCCO2)c1 ZINC000491737097 439440644 /nfs/dbraw/zinc/44/06/44/439440644.db2.gz VSAAXXSGNNNKCZ-UHFFFAOYSA-N 1 1 345.399 0.742 20 30 ECEDMO C#CCN1C(=O)C[C@H]([N@H+]2CCC[C@H](C(=O)N[C@H](C)CCC)C2)C1=O ZINC000491773263 439445909 /nfs/dbraw/zinc/44/59/09/439445909.db2.gz VKJUPBHGSZNMCI-ILXRZTDVSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000491771330 439446456 /nfs/dbraw/zinc/44/64/56/439446456.db2.gz RHGSPEIWSGEDPB-CPUCHLNUSA-N 1 1 344.415 0.580 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2cscn2)CC1 ZINC000491779802 439448028 /nfs/dbraw/zinc/44/80/28/439448028.db2.gz JJCDFAGDINNKEP-UHFFFAOYSA-N 1 1 335.477 0.925 20 30 ECEDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599385793 439451138 /nfs/dbraw/zinc/45/11/38/439451138.db2.gz NBMVXCFPIYMVDL-CABCVRRESA-N 1 1 344.477 0.957 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Cn2cnc(C#N)n2)cc1 ZINC000529835236 439463832 /nfs/dbraw/zinc/46/38/32/439463832.db2.gz YXTNPWGCMSIQCV-CQSZACIVSA-N 1 1 340.387 0.549 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Cn2cnc(C#N)n2)cc1 ZINC000529835236 439463839 /nfs/dbraw/zinc/46/38/39/439463839.db2.gz YXTNPWGCMSIQCV-CQSZACIVSA-N 1 1 340.387 0.549 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000491893313 439470951 /nfs/dbraw/zinc/47/09/51/439470951.db2.gz HXKWOUPDHPNXNG-SREVYHEPSA-N 1 1 326.400 0.852 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cc2ccc(C#N)nc2)CC1 ZINC000599477259 439485215 /nfs/dbraw/zinc/48/52/15/439485215.db2.gz DBPODWPLKKSFEF-OAHLLOKOSA-N 1 1 329.448 0.886 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000530335798 439498643 /nfs/dbraw/zinc/49/86/43/439498643.db2.gz XCUCBNBKXSTXMO-ZDUSSCGKSA-N 1 1 333.436 0.817 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000599570428 439509283 /nfs/dbraw/zinc/50/92/83/439509283.db2.gz XMSOWNJTQPPDTD-KCXAZCMYSA-N 1 1 325.409 0.693 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000599570428 439509284 /nfs/dbraw/zinc/50/92/84/439509284.db2.gz XMSOWNJTQPPDTD-KCXAZCMYSA-N 1 1 325.409 0.693 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)n(CCC#N)n1 ZINC000533000486 439522175 /nfs/dbraw/zinc/52/21/75/439522175.db2.gz CDTWBLPBVFGDQY-GFCCVEGCSA-N 1 1 332.408 0.502 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC1(CS(C)(=O)=O)CC1 ZINC000536608021 439538905 /nfs/dbraw/zinc/53/89/05/439538905.db2.gz MEWMEZVTFSQBOL-UHFFFAOYSA-N 1 1 325.438 0.553 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000599690903 439538928 /nfs/dbraw/zinc/53/89/28/439538928.db2.gz BDCOBUABAPXQPK-HIFRSBDPSA-N 1 1 344.481 0.302 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000599690903 439538933 /nfs/dbraw/zinc/53/89/33/439538933.db2.gz BDCOBUABAPXQPK-HIFRSBDPSA-N 1 1 344.481 0.302 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(CC#N)CC2)CC1 ZINC000542849809 439560918 /nfs/dbraw/zinc/56/09/18/439560918.db2.gz GALKUUUVVYORJM-UHFFFAOYSA-N 1 1 335.452 0.874 20 30 ECEDMO C[C@@H]1C[N@H+](CCCNC(=O)NC2CCN(CC#N)CC2)C[C@H](C)O1 ZINC000609338084 439567366 /nfs/dbraw/zinc/56/73/66/439567366.db2.gz PTZHBWLFIHPGJO-GASCZTMLSA-N 1 1 337.468 0.773 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)C1 ZINC000609672327 439583727 /nfs/dbraw/zinc/58/37/27/439583727.db2.gz AATGBKHXVGUATO-SJLPKXTDSA-N 1 1 333.480 0.507 20 30 ECEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600098868 439612762 /nfs/dbraw/zinc/61/27/62/439612762.db2.gz KONQYVLRUHOCGA-ZDUSSCGKSA-N 1 1 346.387 0.078 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000610605431 439631678 /nfs/dbraw/zinc/63/16/78/439631678.db2.gz WMFOTWPGZLSINR-HUUCEWRRSA-N 1 1 330.388 0.202 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000610605431 439631683 /nfs/dbraw/zinc/63/16/83/439631683.db2.gz WMFOTWPGZLSINR-HUUCEWRRSA-N 1 1 330.388 0.202 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000585718667 439644499 /nfs/dbraw/zinc/64/44/99/439644499.db2.gz RRNNSXVNAAIILQ-SJLPKXTDSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000585718667 439644503 /nfs/dbraw/zinc/64/45/03/439644503.db2.gz RRNNSXVNAAIILQ-SJLPKXTDSA-N 1 1 334.464 0.982 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000586850606 439662917 /nfs/dbraw/zinc/66/29/17/439662917.db2.gz VXUDNARZFXPITI-ZDUSSCGKSA-N 1 1 332.404 0.430 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000595181201 439670475 /nfs/dbraw/zinc/67/04/75/439670475.db2.gz BOKDENRPYOEJOX-KGLIPLIRSA-N 1 1 325.478 0.965 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522523 439703048 /nfs/dbraw/zinc/70/30/48/439703048.db2.gz GRHKKHFBXZKSKL-WMLDXEAASA-N 1 1 337.468 0.135 20 30 ECEDMO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000611551299 439706211 /nfs/dbraw/zinc/70/62/11/439706211.db2.gz JYCOTQMHZMCMPB-HNNXBMFYSA-N 1 1 340.424 0.687 20 30 ECEDMO CO[C@H](C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C)[C@@H]1CCOC1 ZINC000595337882 439706689 /nfs/dbraw/zinc/70/66/89/439706689.db2.gz CIODJOYIJUTIOR-IIAWOOMASA-N 1 1 331.420 0.910 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595384753 439717760 /nfs/dbraw/zinc/71/77/60/439717760.db2.gz MRMMHTWKFVWGTR-OAHLLOKOSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1ccsc1NC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595214616 439674677 /nfs/dbraw/zinc/67/46/77/439674677.db2.gz IYSIWBFNHGFOFB-CYBMUJFWSA-N 1 1 348.428 0.616 20 30 ECEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611174516 439677744 /nfs/dbraw/zinc/67/77/44/439677744.db2.gz GOWABJCMHACPFH-KRWDZBQOSA-N 1 1 346.431 0.916 20 30 ECEDMO COCCNC(=O)CN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595285051 439690425 /nfs/dbraw/zinc/69/04/25/439690425.db2.gz JIPRKYRQPRYCHN-UHFFFAOYSA-N 1 1 330.432 0.481 20 30 ECEDMO CN1CCN(c2ncccc2C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600723177 439695000 /nfs/dbraw/zinc/69/50/00/439695000.db2.gz WHGQYVYCJCHZBV-INIZCTEOSA-N 1 1 329.448 0.978 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000613036400 439749104 /nfs/dbraw/zinc/74/91/04/439749104.db2.gz RJIYPQQRLFLGKH-MRXNPFEDSA-N 1 1 325.453 0.763 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000613034724 439749121 /nfs/dbraw/zinc/74/91/21/439749121.db2.gz JUGWNQXXBAWSMU-WMZOPIPTSA-N 1 1 328.416 0.710 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000595411184 439724437 /nfs/dbraw/zinc/72/44/37/439724437.db2.gz OTFWINVOAWOTOJ-GJZGRUSLSA-N 1 1 342.465 0.167 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(CCC(=O)OC)C2=O)C1=O ZINC000595471566 439732179 /nfs/dbraw/zinc/73/21/79/439732179.db2.gz BOXVUSPHGVDZFR-ZIAGYGMSSA-N 1 1 337.420 0.259 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(CCC(=O)OC)C2=O)C1=O ZINC000595471566 439732182 /nfs/dbraw/zinc/73/21/82/439732182.db2.gz BOXVUSPHGVDZFR-ZIAGYGMSSA-N 1 1 337.420 0.259 20 30 ECEDMO CC1(C)CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC[N@H+]1CCO ZINC000614895618 439789693 /nfs/dbraw/zinc/78/96/93/439789693.db2.gz WRSGBSIJHLUTBB-UHFFFAOYSA-N 1 1 344.415 0.203 20 30 ECEDMO C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)CC1(O)CCOCC1 ZINC000614922625 439790685 /nfs/dbraw/zinc/79/06/85/439790685.db2.gz YMGRHHRNRXBBDI-INIZCTEOSA-N 1 1 334.416 0.966 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1C#N ZINC000614957997 439791220 /nfs/dbraw/zinc/79/12/20/439791220.db2.gz ZOEFJBNNAJKKMJ-UHFFFAOYSA-N 1 1 344.415 0.720 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1C#N ZINC000614957997 439791221 /nfs/dbraw/zinc/79/12/21/439791221.db2.gz ZOEFJBNNAJKKMJ-UHFFFAOYSA-N 1 1 344.415 0.720 20 30 ECEDMO N#C[C@]1(F)CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000615536831 439801958 /nfs/dbraw/zinc/80/19/58/439801958.db2.gz LFNSHKCRBWPNJM-IUODEOHRSA-N 1 1 325.388 0.221 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615546791 439802371 /nfs/dbraw/zinc/80/23/71/439802371.db2.gz RRKRDZNACZDOES-XJKSGUPXSA-N 1 1 339.415 0.576 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@](F)(C#N)C2)CC1 ZINC000615531857 439801681 /nfs/dbraw/zinc/80/16/81/439801681.db2.gz QXEKARUONQWNIU-MRXNPFEDSA-N 1 1 339.415 0.624 20 30 ECEDMO C=CC[C@]1(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCC[NH2+]1 ZINC000662732608 439862683 /nfs/dbraw/zinc/86/26/83/439862683.db2.gz FOHYFIOLDXHIMD-FUHWJXTLSA-N 1 1 336.480 0.207 20 30 ECEDMO C=CC[C@@]1(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCC[NH2+]1 ZINC000662732611 439864672 /nfs/dbraw/zinc/86/46/72/439864672.db2.gz FOHYFIOLDXHIMD-WMZOPIPTSA-N 1 1 336.480 0.207 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000658812179 440129863 /nfs/dbraw/zinc/12/98/63/440129863.db2.gz YMSBAYAGLYRSFZ-HNNXBMFYSA-N 1 1 337.464 0.716 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000658812179 440129871 /nfs/dbraw/zinc/12/98/71/440129871.db2.gz YMSBAYAGLYRSFZ-HNNXBMFYSA-N 1 1 337.464 0.716 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NC2CCN(CC#N)CC2)C[C@H](C)O1 ZINC000619032896 440198172 /nfs/dbraw/zinc/19/81/72/440198172.db2.gz KFYFWZHWSYJEIY-GASCZTMLSA-N 1 1 337.468 0.725 20 30 ECEDMO C[C@@H]1C[N@H+](CCN(C)C(=O)NC2CCN(CC#N)CC2)C[C@H](C)O1 ZINC000619032896 440198180 /nfs/dbraw/zinc/19/81/80/440198180.db2.gz KFYFWZHWSYJEIY-GASCZTMLSA-N 1 1 337.468 0.725 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000665828416 440539089 /nfs/dbraw/zinc/53/90/89/440539089.db2.gz BVUHBWSPLQIPGB-HZPDHXFCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=C(C)C[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1=O ZINC000630972510 440994696 /nfs/dbraw/zinc/99/46/96/440994696.db2.gz LSKSFNJGYFXBEW-ZIAGYGMSSA-N 1 1 336.436 0.816 20 30 ECEDMO C=CCCn1cc(CNCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000657341556 440997800 /nfs/dbraw/zinc/99/78/00/440997800.db2.gz ZNADSBFWPDHXRF-MRXNPFEDSA-N 1 1 334.468 0.887 20 30 ECEDMO C=CCCn1cc(C[NH2+]CCC(=O)N2CCN(C(C)=O)CC2)nn1 ZINC000657353141 441003280 /nfs/dbraw/zinc/00/32/80/441003280.db2.gz GHFHLZUNSATFMT-UHFFFAOYSA-N 1 1 334.424 0.025 20 30 ECEDMO C=CCNC(=O)[C@H](C)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335164 441015564 /nfs/dbraw/zinc/01/55/64/441015564.db2.gz GJPMKQHMEWRQMF-LSDHHAIUSA-N 1 1 346.479 0.689 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-n4ccnc4)nn3)C2)C1 ZINC001041737443 782087081 /nfs/dbraw/zinc/08/70/81/782087081.db2.gz KYFZDNHFAGVDQM-GOSISDBHSA-N 1 1 336.399 0.834 20 30 ECEDMO C[C@H](C(=O)N1CCN(c2cnccc2C#N)CC1)N1CC[NH+](C)CC1 ZINC000557746041 322209701 /nfs/dbraw/zinc/20/97/01/322209701.db2.gz ONYVRNCVIUMXJI-OAHLLOKOSA-N 1 1 342.447 0.238 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000563098801 322297909 /nfs/dbraw/zinc/29/79/09/322297909.db2.gz QGCOWCROZJEAIX-UHFFFAOYSA-N 1 1 330.392 0.581 20 30 ECEDMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)c1ccco1 ZINC000565595276 322465319 /nfs/dbraw/zinc/46/53/19/322465319.db2.gz BXNBPPAALVQWCW-GFCCVEGCSA-N 1 1 327.344 0.904 20 30 ECEDMO Cc1nn(C)c(N2CCN(c3cc[nH+]cc3C(N)=O)CC2)c1C#N ZINC000570257908 322681431 /nfs/dbraw/zinc/68/14/31/322681431.db2.gz VJDZJNCCYBYTNA-UHFFFAOYSA-N 1 1 325.376 0.421 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000174903076 527109423 /nfs/dbraw/zinc/10/94/23/527109423.db2.gz NQWDDLDPIDYVKM-CYBMUJFWSA-N 1 1 333.363 0.987 20 30 ECEDMO Cn1ncc2c1C[C@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)CC2 ZINC000328697226 546004247 /nfs/dbraw/zinc/00/42/47/546004247.db2.gz DKWCCKCGFTYKBS-CXAGYDPISA-N 1 1 336.436 0.565 20 30 ECEDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000619516851 546338003 /nfs/dbraw/zinc/33/80/03/546338003.db2.gz KZAJGZRJNBIHFE-YXJHDRRASA-N 1 1 334.416 0.964 20 30 ECEDMO C=C(CNC(=O)[C@H]1CCCCN1C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000620747679 546450364 /nfs/dbraw/zinc/45/03/64/546450364.db2.gz FIFULRWLGFMDMJ-HZPDHXFCSA-N 1 1 336.480 0.744 20 30 ECEDMO C=C(CNC(=O)[C@H]1CCCCN1C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000620747679 546450368 /nfs/dbraw/zinc/45/03/68/546450368.db2.gz FIFULRWLGFMDMJ-HZPDHXFCSA-N 1 1 336.480 0.744 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+](C)CCOC)C1 ZINC000668559058 547686867 /nfs/dbraw/zinc/68/68/67/547686867.db2.gz XWLYYHTYYHIRBR-OAHLLOKOSA-N 1 1 325.453 0.886 20 30 ECEDMO C=CCn1c(-c2ncccn2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000669053916 547820953 /nfs/dbraw/zinc/82/09/53/547820953.db2.gz PGCHPCBWPTVNOM-CQSZACIVSA-N 1 1 341.419 0.832 20 30 ECEDMO C=CCCCNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000669288953 547868774 /nfs/dbraw/zinc/86/87/74/547868774.db2.gz SKRBXDOUGWPSFI-HUUCEWRRSA-N 1 1 335.448 0.828 20 30 ECEDMO CCn1c(N)c(C(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)c(=O)[nH]c1=O ZINC000678763565 549049178 /nfs/dbraw/zinc/04/91/78/549049178.db2.gz FJMMQUAOWYMSLH-JTQLQIEISA-N 1 1 341.371 0.956 20 30 ECEDMO CN1CCCC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000681340091 549249884 /nfs/dbraw/zinc/24/98/84/549249884.db2.gz XYGNEIKMIUWCLG-HZPDHXFCSA-N 1 1 334.464 0.191 20 30 ECEDMO CN1CCCC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000681340091 549249885 /nfs/dbraw/zinc/24/98/85/549249885.db2.gz XYGNEIKMIUWCLG-HZPDHXFCSA-N 1 1 334.464 0.191 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@H]2O)cn1 ZINC001078032644 782180680 /nfs/dbraw/zinc/18/06/80/782180680.db2.gz YTNYDBWXQGEMSL-BLYBZDDLSA-N 1 1 343.427 0.653 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2OCCc3ccsc32)C1 ZINC001078033590 782183294 /nfs/dbraw/zinc/18/32/94/782183294.db2.gz SCKUPBJYDKHJEF-RBSFLKMASA-N 1 1 334.441 0.937 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2OCCc3ccsc32)C1 ZINC001078033590 782183301 /nfs/dbraw/zinc/18/33/01/782183301.db2.gz SCKUPBJYDKHJEF-RBSFLKMASA-N 1 1 334.441 0.937 20 30 ECEDMO C#CCOCCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000753382898 579399973 /nfs/dbraw/zinc/39/99/73/579399973.db2.gz PRPCEKNZAHNKKZ-ROUUACIJSA-N 1 1 345.443 0.818 20 30 ECEDMO CC(C)[N@@H+]1CC(=NNC(=S)NCCN2CCOCC2)[C@@H](C)C1 ZINC000754254855 579414997 /nfs/dbraw/zinc/41/49/97/579414997.db2.gz QLMXATJSPQUIOF-ZDUSSCGKSA-N 1 1 327.498 0.499 20 30 ECEDMO N#Cc1c(N2CC[NH+]([C@@H]3CCOC3)CC2)cccc1S(N)(=O)=O ZINC000755025908 579427932 /nfs/dbraw/zinc/42/79/32/579427932.db2.gz HWIJKJAOZUJWEW-GFCCVEGCSA-N 1 1 336.417 0.117 20 30 ECEDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C1 ZINC000755920908 579441305 /nfs/dbraw/zinc/44/13/05/579441305.db2.gz IYUAVTPPKFPNDP-LLVKDONJSA-N 1 1 331.401 0.933 20 30 ECEDMO C#Cc1ccc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)nc1 ZINC000758269069 579469931 /nfs/dbraw/zinc/46/99/31/579469931.db2.gz AOSXGLZNSOYRHL-CQSZACIVSA-N 1 1 335.429 0.254 20 30 ECEDMO N#Cc1ccccc1N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000725718669 578133048 /nfs/dbraw/zinc/13/30/48/578133048.db2.gz ASYFBWPRILQKNB-UHFFFAOYSA-N 1 1 328.416 0.929 20 30 ECEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNc1ncccc1C#N ZINC000730122729 578303598 /nfs/dbraw/zinc/30/35/98/578303598.db2.gz SWYYOWRFSSOAAG-CQSZACIVSA-N 1 1 345.451 0.300 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(OCC(=O)NC)c1 ZINC000730280163 578304573 /nfs/dbraw/zinc/30/45/73/578304573.db2.gz NYIKPQGOLNRAGZ-INIZCTEOSA-N 1 1 329.400 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(OCC(=O)NC)c1 ZINC000730280163 578304574 /nfs/dbraw/zinc/30/45/74/578304574.db2.gz NYIKPQGOLNRAGZ-INIZCTEOSA-N 1 1 329.400 0.525 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000732448032 578325443 /nfs/dbraw/zinc/32/54/43/578325443.db2.gz MTFMLDPELRAAIN-JJLJGCLUSA-N 1 1 347.419 0.439 20 30 ECEDMO C[NH+](C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccco1 ZINC000733886025 578348867 /nfs/dbraw/zinc/34/88/67/578348867.db2.gz DJGTUQXHWIBAOQ-ICDILTBESA-N 1 1 346.387 0.915 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000795335427 578608381 /nfs/dbraw/zinc/60/83/81/578608381.db2.gz FSLOTPKYGTXNCT-GFCCVEGCSA-N 1 1 329.169 0.961 20 30 ECEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000780057795 578685508 /nfs/dbraw/zinc/68/55/08/578685508.db2.gz YUTOPQZVSVGVFT-QWHCGFSZSA-N 1 1 330.388 0.984 20 30 ECEDMO N#Cc1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC000780651870 578698455 /nfs/dbraw/zinc/69/84/55/578698455.db2.gz GNWJMJHQPVZEEC-MRXNPFEDSA-N 1 1 329.404 0.959 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000780919151 578702687 /nfs/dbraw/zinc/70/26/87/578702687.db2.gz QUQYRYNKCKCIAB-HOTGVXAUSA-N 1 1 344.415 0.295 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780939198 578703226 /nfs/dbraw/zinc/70/32/26/578703226.db2.gz HZPIGQVSAKBQLH-QAPCUYQASA-N 1 1 344.459 0.981 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780940183 578703250 /nfs/dbraw/zinc/70/32/50/578703250.db2.gz ONELVKZQVCQJIF-QGZVFWFLSA-N 1 1 344.415 0.260 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000781012543 578704557 /nfs/dbraw/zinc/70/45/57/578704557.db2.gz GFDLPCXNVWCCHM-CXAGYDPISA-N 1 1 345.399 0.687 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000781012543 578704558 /nfs/dbraw/zinc/70/45/58/578704558.db2.gz GFDLPCXNVWCCHM-CXAGYDPISA-N 1 1 345.399 0.687 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000783012146 578737491 /nfs/dbraw/zinc/73/74/91/578737491.db2.gz RJLJLVGPSDCCEN-AWEZNQCLSA-N 1 1 331.482 0.961 20 30 ECEDMO Cc1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)sn1 ZINC000785449346 578769494 /nfs/dbraw/zinc/76/94/94/578769494.db2.gz JVBQUSNIDMONTO-UHFFFAOYSA-N 1 1 327.479 0.972 20 30 ECEDMO C=CCNC(=O)COC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000785639978 578771695 /nfs/dbraw/zinc/77/16/95/578771695.db2.gz DRSLGENUEPYVTB-UONOGXRCSA-N 1 1 337.420 0.165 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788002582 578825148 /nfs/dbraw/zinc/82/51/48/578825148.db2.gz FGODPAYPUNEANR-ZDUSSCGKSA-N 1 1 339.436 0.476 20 30 ECEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1)C1CC1 ZINC000788472434 578838036 /nfs/dbraw/zinc/83/80/36/578838036.db2.gz PRKBHIZKGKPQSR-DOTOQJQBSA-N 1 1 331.420 0.964 20 30 ECEDMO C#C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CCCO1 ZINC000773311787 579224580 /nfs/dbraw/zinc/22/45/80/579224580.db2.gz OFNVVOUSWGEQGZ-BHYGNILZSA-N 1 1 334.464 0.635 20 30 ECEDMO C#C[C@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000773311787 579224581 /nfs/dbraw/zinc/22/45/81/579224581.db2.gz OFNVVOUSWGEQGZ-BHYGNILZSA-N 1 1 334.464 0.635 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C)[C@@H]1CCCO1 ZINC000773553854 579229778 /nfs/dbraw/zinc/22/97/78/579229778.db2.gz AWVSPTAREQOPCX-KKUMJFAQSA-N 1 1 337.420 0.446 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C)[C@@H]1CCCO1 ZINC000773553854 579229779 /nfs/dbraw/zinc/22/97/79/579229779.db2.gz AWVSPTAREQOPCX-KKUMJFAQSA-N 1 1 337.420 0.446 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCCO1 ZINC000773781944 579233489 /nfs/dbraw/zinc/23/34/89/579233489.db2.gz AHMFWBQZPCXWBU-KGLIPLIRSA-N 1 1 339.355 0.503 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)[C@H]1CCCO1 ZINC000775801521 579271708 /nfs/dbraw/zinc/27/17/08/579271708.db2.gz URNNOTRIHGLTHO-FUHWJXTLSA-N 1 1 327.428 0.936 20 30 ECEDMO C#C[C@@H]([NH2+]CC1(CN[C@@H](C#C)[C@@H]2CCCO2)COC1)[C@H]1CCCO1 ZINC000775801784 579271782 /nfs/dbraw/zinc/27/17/82/579271782.db2.gz WJMJDOWBCNPMME-USTZCAOPSA-N 1 1 332.444 0.544 20 30 ECEDMO C#C[C@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000776232977 579278363 /nfs/dbraw/zinc/27/83/63/579278363.db2.gz UUOCCRAZKSPHTD-IRXDYDNUSA-N 1 1 336.480 0.835 20 30 ECEDMO CC(C)(CO)[NH+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000778944365 579312618 /nfs/dbraw/zinc/31/26/18/579312618.db2.gz MTAPBVSYHDYOOU-UHFFFAOYSA-N 1 1 330.384 0.682 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(C2CCOCC2)C1=O ZINC000760890515 579517055 /nfs/dbraw/zinc/51/70/55/579517055.db2.gz YVEURMUPQPJWHW-HNNXBMFYSA-N 1 1 346.435 0.508 20 30 ECEDMO C[N@@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)C1CC1 ZINC000761117409 579522210 /nfs/dbraw/zinc/52/22/10/579522210.db2.gz CTPDNIIWIHVKLU-UHFFFAOYSA-N 1 1 334.351 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000764236231 579573807 /nfs/dbraw/zinc/57/38/07/579573807.db2.gz MYHLZSPDUUVXTN-PBHICJAKSA-N 1 1 338.411 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000764236231 579573808 /nfs/dbraw/zinc/57/38/08/579573808.db2.gz MYHLZSPDUUVXTN-PBHICJAKSA-N 1 1 338.411 0.999 20 30 ECEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000739006114 579660993 /nfs/dbraw/zinc/66/09/93/579660993.db2.gz QAAODDHZBIHZIW-PVEMMZBWSA-N 1 1 349.435 0.494 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)CC1 ZINC000744364520 579808838 /nfs/dbraw/zinc/80/88/38/579808838.db2.gz JDYVEKMSLSSSJH-OAHLLOKOSA-N 1 1 341.477 0.216 20 30 ECEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746377773 579837492 /nfs/dbraw/zinc/83/74/92/579837492.db2.gz NUGJQPZTOQORKG-MJBXVCDLSA-N 1 1 346.435 0.828 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746453414 579839479 /nfs/dbraw/zinc/83/94/79/579839479.db2.gz KYWITWYDEROXEJ-CQSZACIVSA-N 1 1 346.435 0.829 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1 ZINC000835795215 588917646 /nfs/dbraw/zinc/91/76/46/588917646.db2.gz WVBUWPGLENJJFP-CJNGLKHVSA-N 1 1 327.384 0.800 20 30 ECEDMO C#CCO[C@@H](C)C(=O)OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000837847720 588963082 /nfs/dbraw/zinc/96/30/82/588963082.db2.gz KGLNRNTZPKLLKO-LSDHHAIUSA-N 1 1 340.420 0.041 20 30 ECEDMO C#CC[C@@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C(=O)OC ZINC000837943416 588966476 /nfs/dbraw/zinc/96/64/76/588966476.db2.gz WHPWUMXAYAASTA-QGZVFWFLSA-N 1 1 343.427 0.729 20 30 ECEDMO C#CC1(O)CN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000890527376 586052298 /nfs/dbraw/zinc/05/22/98/586052298.db2.gz RLDWIESRPKIMTJ-JKSUJKDBSA-N 1 1 330.432 0.441 20 30 ECEDMO C=CC[C@H]1CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000890558914 586053987 /nfs/dbraw/zinc/05/39/87/586053987.db2.gz WFLDFSVPLDLICC-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891535885 586174235 /nfs/dbraw/zinc/17/42/35/586174235.db2.gz HSIZLXBTMWLYLA-UHFFFAOYSA-N 1 1 349.431 0.829 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000895915986 586212701 /nfs/dbraw/zinc/21/27/01/586212701.db2.gz RNFFSNCBLLDLSG-ZDUSSCGKSA-N 1 1 327.475 0.764 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000896487698 586243033 /nfs/dbraw/zinc/24/30/33/586243033.db2.gz BOEJOOQQFQSOKH-BBWFWOEESA-N 1 1 334.464 0.325 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(CN3CCNC3=O)CC2)C1 ZINC000896489856 586243763 /nfs/dbraw/zinc/24/37/63/586243763.db2.gz OVAUJBABQRAOJL-MRXNPFEDSA-N 1 1 347.463 0.531 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CN3CCNC3=O)CC2)C1 ZINC000896489856 586243765 /nfs/dbraw/zinc/24/37/65/586243765.db2.gz OVAUJBABQRAOJL-MRXNPFEDSA-N 1 1 347.463 0.531 20 30 ECEDMO C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896546279 586251152 /nfs/dbraw/zinc/25/11/52/586251152.db2.gz UUVVSPBZRAIQCA-JCGIZDLHSA-N 1 1 339.443 0.991 20 30 ECEDMO CO[C@@]1(C[NH2+]Cc2cc(C#N)cnc2Cl)CCS(=O)(=O)C1 ZINC000896681893 586266587 /nfs/dbraw/zinc/26/65/87/586266587.db2.gz HIOKKIOSNUQGHB-CYBMUJFWSA-N 1 1 329.809 0.900 20 30 ECEDMO N#CC1(c2ccc(C[N@@H+]3CCN4[C@@H](CNS4(=O)=O)C3)cc2)CC1 ZINC000897275554 586292218 /nfs/dbraw/zinc/29/22/18/586292218.db2.gz OGEZHAQJRPNJCG-HNNXBMFYSA-N 1 1 332.429 0.576 20 30 ECEDMO N#CC1(c2ccc(C[N@H+]3CCN4[C@@H](CNS4(=O)=O)C3)cc2)CC1 ZINC000897275554 586292221 /nfs/dbraw/zinc/29/22/21/586292221.db2.gz OGEZHAQJRPNJCG-HNNXBMFYSA-N 1 1 332.429 0.576 20 30 ECEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000897282106 586293610 /nfs/dbraw/zinc/29/36/10/586293610.db2.gz BGKDFIURIWROBW-INIZCTEOSA-N 1 1 349.460 0.371 20 30 ECEDMO CN(CCC#N)c1ccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000897282106 586293612 /nfs/dbraw/zinc/29/36/12/586293612.db2.gz BGKDFIURIWROBW-INIZCTEOSA-N 1 1 349.460 0.371 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000897441323 586322694 /nfs/dbraw/zinc/32/26/94/586322694.db2.gz CMXOYQPOPAPRJC-KGLIPLIRSA-N 1 1 327.450 0.160 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000897441323 586322696 /nfs/dbraw/zinc/32/26/96/586322696.db2.gz CMXOYQPOPAPRJC-KGLIPLIRSA-N 1 1 327.450 0.160 20 30 ECEDMO C[N@@H+](CCO)CCNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000899739198 586504779 /nfs/dbraw/zinc/50/47/79/586504779.db2.gz SQTIPQHPOOTMDA-CQSZACIVSA-N 1 1 334.395 0.564 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000900045167 586520702 /nfs/dbraw/zinc/52/07/02/586520702.db2.gz MKRWDAJFMXSLOH-RHSMWYFYSA-N 1 1 329.404 0.057 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC000900274248 586536584 /nfs/dbraw/zinc/53/65/84/586536584.db2.gz MAVGVIKVLDDRGI-YJBOKZPZSA-N 1 1 329.400 0.520 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c1 ZINC000900274248 586536586 /nfs/dbraw/zinc/53/65/86/586536586.db2.gz MAVGVIKVLDDRGI-YJBOKZPZSA-N 1 1 329.400 0.520 20 30 ECEDMO C=CCN(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000900309580 586537635 /nfs/dbraw/zinc/53/76/35/586537635.db2.gz FWBHAUBSUKHARK-ZFWWWQNUSA-N 1 1 330.450 0.035 20 30 ECEDMO C=CCN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000900309580 586537637 /nfs/dbraw/zinc/53/76/37/586537637.db2.gz FWBHAUBSUKHARK-ZFWWWQNUSA-N 1 1 330.450 0.035 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C[C@@H]([C@@H]3CCCO3)CC2=O)CC1 ZINC000902092523 586719936 /nfs/dbraw/zinc/71/99/36/586719936.db2.gz DYUHQSLQWPVAIJ-HOTGVXAUSA-N 1 1 333.432 0.433 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)[C@@H]3C[C@]3(C(C)C)C2=O)CC1 ZINC000902093804 586720055 /nfs/dbraw/zinc/72/00/55/586720055.db2.gz ZSSQCANCUMXEJD-KBXCAEBGSA-N 1 1 331.416 0.436 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccncc2)nc1 ZINC000903504598 586778547 /nfs/dbraw/zinc/77/85/47/586778547.db2.gz UHSBVDWHULAKEN-AWEZNQCLSA-N 1 1 329.385 0.683 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510498 586781107 /nfs/dbraw/zinc/78/11/07/586781107.db2.gz QZYPXCFDHBSECF-CWRNSKLLSA-N 1 1 349.479 0.287 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)C2CN(C)CC[N@@H+](C)C2)c1 ZINC000906332813 586944496 /nfs/dbraw/zinc/94/44/96/586944496.db2.gz BLVXJUJASRNFJH-UHFFFAOYSA-N 1 1 328.416 0.216 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCCO[C@H](C)C#N)CC1=O ZINC000801861495 587004690 /nfs/dbraw/zinc/00/46/90/587004690.db2.gz IISAKNOYUYROSX-QLFBSQMISA-N 1 1 337.420 0.791 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000804352839 587083651 /nfs/dbraw/zinc/08/36/51/587083651.db2.gz QRCKMEJAPOGXLC-NSHDSACASA-N 1 1 348.241 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000804499572 587086255 /nfs/dbraw/zinc/08/62/55/587086255.db2.gz KMHHEBKRKBPMRQ-ZNMIVQPWSA-N 1 1 341.477 0.308 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000804499572 587086256 /nfs/dbraw/zinc/08/62/56/587086256.db2.gz KMHHEBKRKBPMRQ-ZNMIVQPWSA-N 1 1 341.477 0.308 20 30 ECEDMO CCCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@@H+](C)C1 ZINC000843992173 589085974 /nfs/dbraw/zinc/08/59/74/589085974.db2.gz PFBKBHWQRRVQCI-CMTMBAJVSA-N 1 1 334.420 0.846 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000806912468 587111099 /nfs/dbraw/zinc/11/10/99/587111099.db2.gz NTXXDDBILFPOEP-UHFFFAOYSA-N 1 1 348.491 0.533 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NCC[N@H+](C)CCCOC ZINC000807458111 587128703 /nfs/dbraw/zinc/12/87/03/587128703.db2.gz SSKMZBLAPJLGOO-UHFFFAOYSA-N 1 1 336.230 0.096 20 30 ECEDMO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)(C)C ZINC000808282112 587151929 /nfs/dbraw/zinc/15/19/29/587151929.db2.gz WQAAJWKEXWNEMR-HOTGVXAUSA-N 1 1 336.480 0.740 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H]1CCCO1 ZINC000809311584 587174982 /nfs/dbraw/zinc/17/49/82/587174982.db2.gz XZYZPPZKAFBIFM-IAGOWNOFSA-N 1 1 347.459 0.760 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000810318635 587192353 /nfs/dbraw/zinc/19/23/53/587192353.db2.gz HLFMXNJTMQOSFI-QGZVFWFLSA-N 1 1 327.428 0.914 20 30 ECEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000811646070 587222923 /nfs/dbraw/zinc/22/29/23/587222923.db2.gz JTIYADYHIVIBQS-TXEJJXNPSA-N 1 1 340.387 0.800 20 30 ECEDMO C=C[C@H](O)C(=O)O[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000814548538 587276907 /nfs/dbraw/zinc/27/69/07/587276907.db2.gz DIYYIRCRNOWKAQ-KBMXLJTQSA-N 1 1 332.400 0.856 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000817820546 587387333 /nfs/dbraw/zinc/38/73/33/587387333.db2.gz YEGLXGKUMMLPAX-MRXNPFEDSA-N 1 1 329.400 0.121 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCS(=O)(=O)C2CC2)c1 ZINC000819368574 587477700 /nfs/dbraw/zinc/47/77/00/587477700.db2.gz HZVRIGYCYYLQBB-UHFFFAOYSA-N 1 1 342.442 0.499 20 30 ECEDMO CN1CCN(Cc2cccc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)c2)CC1 ZINC000844194939 589102290 /nfs/dbraw/zinc/10/22/90/589102290.db2.gz OFSNRURGRGPHAL-SJORKVTESA-N 1 1 327.432 0.275 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)n1cnc(C#N)n1 ZINC000820092368 587508547 /nfs/dbraw/zinc/50/85/47/587508547.db2.gz FEXYXYHABRBNMD-MKVSYHDVSA-N 1 1 336.399 0.957 20 30 ECEDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000821331888 587586075 /nfs/dbraw/zinc/58/60/75/587586075.db2.gz GYNLFVXFDOYCPU-BBWFWOEESA-N 1 1 329.400 0.708 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cn1 ZINC000822550667 587665655 /nfs/dbraw/zinc/66/56/55/587665655.db2.gz HECLWANUPUWAQM-IRXDYDNUSA-N 1 1 341.415 0.465 20 30 ECEDMO CN(C[C@H](O)C[NH+]1CCN(CCC#N)CC1)C(=O)OC(C)(C)C ZINC000822785321 587680268 /nfs/dbraw/zinc/68/02/68/587680268.db2.gz NPGRENYBJIITIJ-AWEZNQCLSA-N 1 1 326.441 0.745 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000823849864 587745827 /nfs/dbraw/zinc/74/58/27/587745827.db2.gz BHNBDIKZWLYMTP-AWEZNQCLSA-N 1 1 341.371 0.886 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)COc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000840498901 587964330 /nfs/dbraw/zinc/96/43/30/587964330.db2.gz AMXWIRKVGPCZOH-AWEZNQCLSA-N 1 1 331.372 0.500 20 30 ECEDMO C[NH+]1CCN(C(=O)CNc2ncc(Br)cc2C#N)CC1 ZINC000827550147 588127256 /nfs/dbraw/zinc/12/72/56/588127256.db2.gz APTMGJITJKRVIE-UHFFFAOYSA-N 1 1 338.209 0.902 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000827643720 588133489 /nfs/dbraw/zinc/13/34/89/588133489.db2.gz NPCJFGUAPFYFAY-OAHLLOKOSA-N 1 1 332.466 0.303 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCO1 ZINC000829215930 588318885 /nfs/dbraw/zinc/31/88/85/588318885.db2.gz ZRUYBNRVEGDMCL-HYVNUMGLSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000829793470 588342393 /nfs/dbraw/zinc/34/23/93/588342393.db2.gz FYPFFVWLSKWJSH-LLVKDONJSA-N 1 1 330.388 0.784 20 30 ECEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000829793470 588342395 /nfs/dbraw/zinc/34/23/95/588342395.db2.gz FYPFFVWLSKWJSH-LLVKDONJSA-N 1 1 330.388 0.784 20 30 ECEDMO C#CCN(CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)C(=O)OC(C)(C)C ZINC000830627409 588379303 /nfs/dbraw/zinc/37/93/03/588379303.db2.gz HHHIJKKPBPIASY-ZIAGYGMSSA-N 1 1 339.436 0.692 20 30 ECEDMO C#CCN(CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)C(=O)OC(C)(C)C ZINC000830627409 588379304 /nfs/dbraw/zinc/37/93/04/588379304.db2.gz HHHIJKKPBPIASY-ZIAGYGMSSA-N 1 1 339.436 0.692 20 30 ECEDMO C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@H](O)c1cccc(C#N)c1 ZINC000844367803 589109455 /nfs/dbraw/zinc/10/94/55/589109455.db2.gz PKPQYFSLKANCAZ-AWEZNQCLSA-N 1 1 330.388 0.854 20 30 ECEDMO COC(=O)[C@@H](NC(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1)C(C)C ZINC000844371662 589109532 /nfs/dbraw/zinc/10/95/32/589109532.db2.gz PXLOSIPMGKQOMT-RDJZCZTQSA-N 1 1 347.415 0.837 20 30 ECEDMO COC(=O)[C@@H](NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)C(C)C ZINC000844371662 589109533 /nfs/dbraw/zinc/10/95/33/589109533.db2.gz PXLOSIPMGKQOMT-RDJZCZTQSA-N 1 1 347.415 0.837 20 30 ECEDMO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000845218467 589139015 /nfs/dbraw/zinc/13/90/15/589139015.db2.gz DGTGRKJFDVIJMO-KRWDZBQOSA-N 1 1 346.431 0.955 20 30 ECEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@](O)(C(N)=O)c2ccccc2)n1 ZINC000851996183 589437024 /nfs/dbraw/zinc/43/70/24/589437024.db2.gz JUPQHYVKMVXPFS-SFHVURJKSA-N 1 1 326.400 0.711 20 30 ECEDMO C#CCn1ccc(C[N@H+](CC)C[C@@](O)(C(N)=O)c2ccccc2)n1 ZINC000851996183 589437026 /nfs/dbraw/zinc/43/70/26/589437026.db2.gz JUPQHYVKMVXPFS-SFHVURJKSA-N 1 1 326.400 0.711 20 30 ECEDMO C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000852128670 589445377 /nfs/dbraw/zinc/44/53/77/589445377.db2.gz WBDKKIKUWYTAGQ-AEFFLSMTSA-N 1 1 348.491 0.883 20 30 ECEDMO C#C[C@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000852128670 589445379 /nfs/dbraw/zinc/44/53/79/589445379.db2.gz WBDKKIKUWYTAGQ-AEFFLSMTSA-N 1 1 348.491 0.883 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331911 589491383 /nfs/dbraw/zinc/49/13/83/589491383.db2.gz DRTWDCFODMWPPS-SJLPKXTDSA-N 1 1 332.448 0.878 20 30 ECEDMO COc1cc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1C#N ZINC000852828409 589515768 /nfs/dbraw/zinc/51/57/68/589515768.db2.gz XJJYCOBYIXMJJU-OAHLLOKOSA-N 1 1 342.399 0.603 20 30 ECEDMO C#CCCN(CCOC)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000853786685 589558909 /nfs/dbraw/zinc/55/89/09/589558909.db2.gz MQASVZQBPGHYDO-QGZVFWFLSA-N 1 1 338.496 0.941 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000854248260 589576621 /nfs/dbraw/zinc/57/66/21/589576621.db2.gz SHYYVYDMKYZSHA-KBPBESRZSA-N 1 1 341.477 0.691 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000854248260 589576623 /nfs/dbraw/zinc/57/66/23/589576623.db2.gz SHYYVYDMKYZSHA-KBPBESRZSA-N 1 1 341.477 0.691 20 30 ECEDMO C#CCNC(=O)CN1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856595987 589667832 /nfs/dbraw/zinc/66/78/32/589667832.db2.gz OSPOOPMAZNRVQY-KRWDZBQOSA-N 1 1 330.432 0.736 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000856801348 589676250 /nfs/dbraw/zinc/67/62/50/589676250.db2.gz OIKAOIUYUWQDBG-QGZVFWFLSA-N 1 1 333.436 0.928 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858355503 589743908 /nfs/dbraw/zinc/74/39/08/589743908.db2.gz LCDKJJSOTBKMOF-AWEZNQCLSA-N 1 1 329.466 0.903 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858355503 589743911 /nfs/dbraw/zinc/74/39/11/589743911.db2.gz LCDKJJSOTBKMOF-AWEZNQCLSA-N 1 1 329.466 0.903 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000858766457 589772863 /nfs/dbraw/zinc/77/28/63/589772863.db2.gz NBKPTRYXYGKPEI-OAHLLOKOSA-N 1 1 334.464 0.889 20 30 ECEDMO CCCCCCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000859325142 589822132 /nfs/dbraw/zinc/82/21/32/589822132.db2.gz RYGVIIFQKHNELD-UHFFFAOYSA-N 1 1 327.469 0.988 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868720948 589923247 /nfs/dbraw/zinc/92/32/47/589923247.db2.gz AVVDGXUPMDLLFX-RDJZCZTQSA-N 1 1 336.480 0.999 20 30 ECEDMO C=C(Cl)C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C(=O)OCC ZINC000870031425 589990503 /nfs/dbraw/zinc/99/05/03/589990503.db2.gz QJMGMNUVQNAXJV-QWHCGFSZSA-N 1 1 331.844 0.813 20 30 ECEDMO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000871051499 590047048 /nfs/dbraw/zinc/04/70/48/590047048.db2.gz WNXUKAPKJSTKAY-JSGCOSHPSA-N 1 1 328.424 0.790 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ncnc3[nH]c(Cl)cc32)CC1 ZINC000865536819 590148971 /nfs/dbraw/zinc/14/89/71/590148971.db2.gz MBPJDWRIRPRICC-UHFFFAOYSA-N 1 1 346.822 0.824 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ncnc3[nH]c(Cl)cc32)CC1 ZINC000865536819 590148973 /nfs/dbraw/zinc/14/89/73/590148973.db2.gz MBPJDWRIRPRICC-UHFFFAOYSA-N 1 1 346.822 0.824 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000873024683 590179690 /nfs/dbraw/zinc/17/96/90/590179690.db2.gz YVZRXRFEXWPBHX-KBPBESRZSA-N 1 1 327.450 0.018 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000873023894 590179774 /nfs/dbraw/zinc/17/97/74/590179774.db2.gz AXMSUQGEJSKDRP-AWEZNQCLSA-N 1 1 347.419 0.985 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)nn1CCC#N ZINC000874369780 590236147 /nfs/dbraw/zinc/23/61/47/590236147.db2.gz UXONIAQUEMEWMF-KGLIPLIRSA-N 1 1 344.419 0.739 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000874991221 590261378 /nfs/dbraw/zinc/26/13/78/590261378.db2.gz XUGIQCREDQQHHQ-CABCVRRESA-N 1 1 347.415 0.687 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000875504038 590306353 /nfs/dbraw/zinc/30/63/53/590306353.db2.gz MZWPPXFGSAKXGU-HOCLYGCPSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000875596843 590312275 /nfs/dbraw/zinc/31/22/75/590312275.db2.gz UNTIAIGHYORFOR-XHSDSOJGSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC(CCO)(CCO)CC1 ZINC000875622999 590316333 /nfs/dbraw/zinc/31/63/33/590316333.db2.gz NLRAQOMXQNEEIA-UHFFFAOYSA-N 1 1 325.453 0.498 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000875916220 590345716 /nfs/dbraw/zinc/34/57/16/590345716.db2.gz DCMOCBKOKIUACA-CABCVRRESA-N 1 1 325.453 0.901 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000875919642 590346288 /nfs/dbraw/zinc/34/62/88/590346288.db2.gz MUOLABGNSNKKII-IAGOWNOFSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000875923201 590346722 /nfs/dbraw/zinc/34/67/22/590346722.db2.gz YIJYSFXPEJFNCK-IRXDYDNUSA-N 1 1 336.480 0.836 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000880069109 590364820 /nfs/dbraw/zinc/36/48/20/590364820.db2.gz WAKKYAUOILIEHX-GVDBMIGSSA-N 1 1 331.416 0.439 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCS1(=O)=O ZINC000876669863 590396936 /nfs/dbraw/zinc/39/69/36/590396936.db2.gz AEHINMUJEUMHAS-ABAIWWIYSA-N 1 1 333.413 0.391 20 30 ECEDMO N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876849261 590419291 /nfs/dbraw/zinc/41/92/91/590419291.db2.gz XRNOIVAPKJNIDG-AEFFLSMTSA-N 1 1 339.443 0.251 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000876908456 590425446 /nfs/dbraw/zinc/42/54/46/590425446.db2.gz OFOUDTCXKCHOPU-SJORKVTESA-N 1 1 339.395 0.952 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCc2ccc(C(N)=O)cc2)CC1 ZINC000877892554 590484734 /nfs/dbraw/zinc/48/47/34/590484734.db2.gz ADRXQOSTZLDURL-UHFFFAOYSA-N 1 1 330.432 0.248 20 30 ECEDMO C#CCNC(=O)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879080634 590563013 /nfs/dbraw/zinc/56/30/13/590563013.db2.gz NDZMTTDALJRJLK-CYBMUJFWSA-N 1 1 327.425 0.286 20 30 ECEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879156395 590567152 /nfs/dbraw/zinc/56/71/52/590567152.db2.gz RWPNTIIPWCNKDH-DOPJRALCSA-N 1 1 341.367 0.757 20 30 ECEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879156395 590567154 /nfs/dbraw/zinc/56/71/54/590567154.db2.gz RWPNTIIPWCNKDH-DOPJRALCSA-N 1 1 341.367 0.757 20 30 ECEDMO C#CCC1(O)CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000883417339 590616668 /nfs/dbraw/zinc/61/66/68/590616668.db2.gz XNLQSUXASXLSSG-MRXNPFEDSA-N 1 1 348.491 0.715 20 30 ECEDMO C#CCC1(O)CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000883417339 590616669 /nfs/dbraw/zinc/61/66/69/590616669.db2.gz XNLQSUXASXLSSG-MRXNPFEDSA-N 1 1 348.491 0.715 20 30 ECEDMO C#C[C@@H](CCC)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883601436 590628735 /nfs/dbraw/zinc/62/87/35/590628735.db2.gz XWTAQXFUQJBCHJ-IRXDYDNUSA-N 1 1 336.480 0.884 20 30 ECEDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000883900067 590680731 /nfs/dbraw/zinc/68/07/31/590680731.db2.gz DFUZFHIOMIJPLT-INIZCTEOSA-N 1 1 328.420 0.879 20 30 ECEDMO C#C[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000883912264 590683560 /nfs/dbraw/zinc/68/35/60/590683560.db2.gz LUAOLOLQWPVQHR-ZWKOTPCHSA-N 1 1 348.491 0.838 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[N@H+]1C ZINC000885314940 590714804 /nfs/dbraw/zinc/71/48/04/590714804.db2.gz KIZYQZIIYQDWLO-XPCVCDNBSA-N 1 1 325.434 0.113 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CCN(C(=O)C3CC3)CC2)C1 ZINC000884047329 590717145 /nfs/dbraw/zinc/71/71/45/590717145.db2.gz ORSNYEJQBGNSDK-MRXNPFEDSA-N 1 1 332.448 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCN(C(=O)C3CC3)CC2)C1 ZINC000884047329 590717148 /nfs/dbraw/zinc/71/71/48/590717148.db2.gz ORSNYEJQBGNSDK-MRXNPFEDSA-N 1 1 332.448 0.784 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884182820 590765729 /nfs/dbraw/zinc/76/57/29/590765729.db2.gz USESCHKENRTMSY-MJBXVCDLSA-N 1 1 341.452 0.437 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884182820 590765733 /nfs/dbraw/zinc/76/57/33/590765733.db2.gz USESCHKENRTMSY-MJBXVCDLSA-N 1 1 341.452 0.437 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000884182819 590766085 /nfs/dbraw/zinc/76/60/85/590766085.db2.gz USESCHKENRTMSY-MCIONIFRSA-N 1 1 341.452 0.437 20 30 ECEDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000136297458 590777572 /nfs/dbraw/zinc/77/75/72/590777572.db2.gz OVISKAPBHVSSHV-UHFFFAOYSA-N 1 1 343.427 0.863 20 30 ECEDMO CC[C@H](C)NC(=O)CN1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885938225 590783023 /nfs/dbraw/zinc/78/30/23/590783023.db2.gz VOLPBBVXWOQUBB-JKSUJKDBSA-N 1 1 336.480 0.964 20 30 ECEDMO COCC[N@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000886089918 590793220 /nfs/dbraw/zinc/79/32/20/590793220.db2.gz MNDWDZSDTRRZCJ-KBPBESRZSA-N 1 1 330.450 0.567 20 30 ECEDMO COCC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000886089918 590793225 /nfs/dbraw/zinc/79/32/25/590793225.db2.gz MNDWDZSDTRRZCJ-KBPBESRZSA-N 1 1 330.450 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCOC[C@@H]2OCCOC)C1 ZINC000884277896 590794994 /nfs/dbraw/zinc/79/49/94/590794994.db2.gz XYORBOYLTNYALU-XHSDSOJGSA-N 1 1 339.436 0.204 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCOC[C@@H]2OCCOC)C1 ZINC000884277896 590794998 /nfs/dbraw/zinc/79/49/98/590794998.db2.gz XYORBOYLTNYALU-XHSDSOJGSA-N 1 1 339.436 0.204 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886174462 590800505 /nfs/dbraw/zinc/80/05/05/590800505.db2.gz AYTVVBCUFHZMKN-HRCADAONSA-N 1 1 326.437 0.777 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000884328622 590806427 /nfs/dbraw/zinc/80/64/27/590806427.db2.gz UQGJTGQKAGWVJV-VNQPRFMTSA-N 1 1 335.448 0.908 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000889761786 591087112 /nfs/dbraw/zinc/08/71/12/591087112.db2.gz MGDQOHJJVQMFHL-BBWFWOEESA-N 1 1 329.400 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCNC(=O)[C@H]2c2ccccc2)C1 ZINC000890372555 591154633 /nfs/dbraw/zinc/15/46/33/591154633.db2.gz JWVNYHVWTQSBAX-DLBZAZTESA-N 1 1 340.427 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCNC(=O)[C@H]2c2ccccc2)C1 ZINC000890372555 591154637 /nfs/dbraw/zinc/15/46/37/591154637.db2.gz JWVNYHVWTQSBAX-DLBZAZTESA-N 1 1 340.427 0.967 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[C@@H]1Oc1cnn(C)c1 ZINC000922627201 611356702 /nfs/dbraw/zinc/35/67/02/611356702.db2.gz JMRNOFRTFDUDAM-CVEARBPZSA-N 1 1 333.436 0.974 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946612880 611364118 /nfs/dbraw/zinc/36/41/18/611364118.db2.gz XZOAOVVKSHRGJX-OAGGEKHMSA-N 1 1 345.443 0.718 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)CC[C@@H]2C1 ZINC000946642645 611383350 /nfs/dbraw/zinc/38/33/50/611383350.db2.gz OJSJLIJIDNTYCB-GASCZTMLSA-N 1 1 328.416 0.831 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3nc(OC)cc(OC)n3)CC[C@@H]2C1 ZINC000946644441 611385238 /nfs/dbraw/zinc/38/52/38/611385238.db2.gz CEYRXZPZXMFEJS-OKILXGFUSA-N 1 1 344.415 0.911 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000930295218 611409431 /nfs/dbraw/zinc/40/94/31/611409431.db2.gz AFYDNHMRUOGYST-OAHLLOKOSA-N 1 1 339.436 0.065 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930296293 611409577 /nfs/dbraw/zinc/40/95/77/611409577.db2.gz OTMIYFGDNLNEFP-KGLIPLIRSA-N 1 1 341.477 0.391 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930296293 611409578 /nfs/dbraw/zinc/40/95/78/611409578.db2.gz OTMIYFGDNLNEFP-KGLIPLIRSA-N 1 1 341.477 0.391 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C)[C@@H]1CCCO1 ZINC000930468347 611430569 /nfs/dbraw/zinc/43/05/69/611430569.db2.gz YXSLAIGBFDVFRP-JYJNAYRXSA-N 1 1 335.448 0.472 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C)[C@@H]1CCCO1 ZINC000930468347 611430571 /nfs/dbraw/zinc/43/05/71/611430571.db2.gz YXSLAIGBFDVFRP-JYJNAYRXSA-N 1 1 335.448 0.472 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cnnn1C ZINC000947176425 611452995 /nfs/dbraw/zinc/45/29/95/611452995.db2.gz XFIKNNXONSSHTO-AAEUAGOBSA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cnnn1C ZINC000947176425 611452998 /nfs/dbraw/zinc/45/29/98/611452998.db2.gz XFIKNNXONSSHTO-AAEUAGOBSA-N 1 1 327.392 0.798 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC000948207345 611468277 /nfs/dbraw/zinc/46/82/77/611468277.db2.gz PSJDBIJPEYNDGY-IAQYHMDHSA-N 1 1 340.387 0.668 20 30 ECEDMO C[C@H]1[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC000925321233 611469099 /nfs/dbraw/zinc/46/90/99/611469099.db2.gz RBKYZCPYBFIHRD-DZGCQCFKSA-N 1 1 328.420 0.877 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC[C@@H]2C1 ZINC000946777085 611469363 /nfs/dbraw/zinc/46/93/63/611469363.db2.gz ZUVKPTVOFVNEFV-VVLHAWIVSA-N 1 1 347.459 0.426 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2CC1 ZINC000946788154 611479976 /nfs/dbraw/zinc/47/99/76/611479976.db2.gz LTQJVYITTIWRLY-SIRPWMCASA-N 1 1 349.475 0.882 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000946796562 611485507 /nfs/dbraw/zinc/48/55/07/611485507.db2.gz LSFPUSHYUTUZSO-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC000948247985 611487863 /nfs/dbraw/zinc/48/78/63/611487863.db2.gz AEGOWPKREAOYGR-AWEZNQCLSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC000948247985 611487867 /nfs/dbraw/zinc/48/78/67/611487867.db2.gz AEGOWPKREAOYGR-AWEZNQCLSA-N 1 1 347.394 0.367 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930991687 611494132 /nfs/dbraw/zinc/49/41/32/611494132.db2.gz GNGMSFLXZPSEGG-UONOGXRCSA-N 1 1 341.477 0.391 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000930991687 611494136 /nfs/dbraw/zinc/49/41/36/611494136.db2.gz GNGMSFLXZPSEGG-UONOGXRCSA-N 1 1 341.477 0.391 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000948306458 611512626 /nfs/dbraw/zinc/51/26/26/611512626.db2.gz HYQPASWMHSJMLD-GXTWGEPZSA-N 1 1 331.420 0.947 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000947499489 611567637 /nfs/dbraw/zinc/56/76/37/611567637.db2.gz BNJIDOCMNVSROQ-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931820090 611572128 /nfs/dbraw/zinc/57/21/28/611572128.db2.gz LDQJBELWDZXZQB-KGLIPLIRSA-N 1 1 341.477 0.343 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000931820090 611572130 /nfs/dbraw/zinc/57/21/30/611572130.db2.gz LDQJBELWDZXZQB-KGLIPLIRSA-N 1 1 341.477 0.343 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC000947512080 611574703 /nfs/dbraw/zinc/57/47/03/611574703.db2.gz TYOZVCDLYFCWPB-NEPJUHHUSA-N 1 1 340.811 0.671 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC000947512080 611574705 /nfs/dbraw/zinc/57/47/05/611574705.db2.gz TYOZVCDLYFCWPB-NEPJUHHUSA-N 1 1 340.811 0.671 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C[C@@H]1C ZINC000947546365 611590579 /nfs/dbraw/zinc/59/05/79/611590579.db2.gz GNQXOJVWQQNVTC-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000948444481 611599533 /nfs/dbraw/zinc/59/95/33/611599533.db2.gz BGAVPWRVWTVUHE-NEPJUHHUSA-N 1 1 342.827 0.650 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@@H]1C ZINC000947593742 611610846 /nfs/dbraw/zinc/61/08/46/611610846.db2.gz QLQWTKGEXYHDDP-LSDHHAIUSA-N 1 1 341.415 0.488 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000947629835 611626069 /nfs/dbraw/zinc/62/60/69/611626069.db2.gz QJLNVEHMUVKIPF-DOMZBBRYSA-N 1 1 339.403 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000947631799 611626581 /nfs/dbraw/zinc/62/65/81/611626581.db2.gz NQABTRMMASULAJ-OAHLLOKOSA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000947035968 611640448 /nfs/dbraw/zinc/64/04/48/611640448.db2.gz JVZDIDIXCPMASP-RYUDHWBXSA-N 1 1 345.432 0.776 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000937333854 608593906 /nfs/dbraw/zinc/59/39/06/608593906.db2.gz AUKSEUAUBJSBOY-KGLIPLIRSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000937333854 608593909 /nfs/dbraw/zinc/59/39/09/608593909.db2.gz AUKSEUAUBJSBOY-KGLIPLIRSA-N 1 1 329.404 0.180 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccnc3c2nnn3C)C[C@@H]1C ZINC000947663031 611640871 /nfs/dbraw/zinc/64/08/71/611640871.db2.gz OLFJSRPBYKTYRT-STQMWFEESA-N 1 1 326.404 0.969 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000924038240 608611915 /nfs/dbraw/zinc/61/19/15/608611915.db2.gz YXPLXSNXVNFTAT-RDJZCZTQSA-N 1 1 334.464 0.637 20 30 ECEDMO C#CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C(C)(C)C ZINC000932465385 608624107 /nfs/dbraw/zinc/62/41/07/608624107.db2.gz VHAOXAOVAIJBSA-UHFFFAOYSA-N 1 1 345.509 0.896 20 30 ECEDMO COc1ncc(NC(=O)NCCC[N@@H+](C)CCN(C)C)cc1C#N ZINC000932515399 608629214 /nfs/dbraw/zinc/62/92/14/608629214.db2.gz BBCOJIHACBDDCA-UHFFFAOYSA-N 1 1 334.424 0.967 20 30 ECEDMO COc1ncc(NC(=O)NCCCN(C)CC[NH+](C)C)cc1C#N ZINC000932515399 608629215 /nfs/dbraw/zinc/62/92/15/608629215.db2.gz BBCOJIHACBDDCA-UHFFFAOYSA-N 1 1 334.424 0.967 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cocc2C)C1 ZINC000955025412 608665492 /nfs/dbraw/zinc/66/54/92/608665492.db2.gz SZPUUDZVRUJOBM-INIZCTEOSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cocc2C)C1 ZINC000955025412 608665494 /nfs/dbraw/zinc/66/54/94/608665494.db2.gz SZPUUDZVRUJOBM-INIZCTEOSA-N 1 1 329.400 0.968 20 30 ECEDMO CCOC(=O)[C@@H]1CCN(CC#CC[N@H+]2CC[C@@H](C(=O)OCC)C2)C1 ZINC000932640908 611647329 /nfs/dbraw/zinc/64/73/29/611647329.db2.gz DIHKGIPZNLKFRX-HZPDHXFCSA-N 1 1 336.432 0.760 20 30 ECEDMO C=CCC1(C(=O)NCC[N@@H+](C)CCO)CN(C(=O)OC(C)(C)C)C1 ZINC000924997492 608693999 /nfs/dbraw/zinc/69/39/99/608693999.db2.gz FIJHAOIDLUWYSJ-UHFFFAOYSA-N 1 1 341.452 0.840 20 30 ECEDMO C[N@H+](CCN1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)Cc1ccccc1 ZINC000933116977 608717749 /nfs/dbraw/zinc/71/77/49/608717749.db2.gz XQLBQJRPQVBKRD-IAGOWNOFSA-N 1 1 333.457 0.989 20 30 ECEDMO C[N@@H+](CCN1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)Cc1ccccc1 ZINC000933116977 608717750 /nfs/dbraw/zinc/71/77/50/608717750.db2.gz XQLBQJRPQVBKRD-IAGOWNOFSA-N 1 1 333.457 0.989 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC000947464113 608763630 /nfs/dbraw/zinc/76/36/30/608763630.db2.gz RAENHOKXFBXHAS-ZIAGYGMSSA-N 1 1 342.871 0.482 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC000947464113 608763634 /nfs/dbraw/zinc/76/36/34/608763634.db2.gz RAENHOKXFBXHAS-ZIAGYGMSSA-N 1 1 342.871 0.482 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000947229385 608791671 /nfs/dbraw/zinc/79/16/71/608791671.db2.gz BDXSPVJAAHBKPF-INIZCTEOSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000947229385 608791672 /nfs/dbraw/zinc/79/16/72/608791672.db2.gz BDXSPVJAAHBKPF-INIZCTEOSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cscn2)CC1 ZINC000947230412 608813995 /nfs/dbraw/zinc/81/39/95/608813995.db2.gz POAVRFOBTGIBTQ-HNNXBMFYSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cscn2)CC1 ZINC000947230412 608813999 /nfs/dbraw/zinc/81/39/99/608813999.db2.gz POAVRFOBTGIBTQ-HNNXBMFYSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnco1 ZINC000937502126 608833950 /nfs/dbraw/zinc/83/39/50/608833950.db2.gz FPKPOPPJVLDBDV-IHRRRGAJSA-N 1 1 328.372 0.198 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnco1 ZINC000937502126 608833955 /nfs/dbraw/zinc/83/39/55/608833955.db2.gz FPKPOPPJVLDBDV-IHRRRGAJSA-N 1 1 328.372 0.198 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000937005565 608884918 /nfs/dbraw/zinc/88/49/18/608884918.db2.gz LGGSFGHXSPPEDW-CABCVRRESA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000937005565 608884919 /nfs/dbraw/zinc/88/49/19/608884919.db2.gz LGGSFGHXSPPEDW-CABCVRRESA-N 1 1 335.448 0.733 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000936913540 608911489 /nfs/dbraw/zinc/91/14/89/608911489.db2.gz SFMDISIEBYVRLL-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C[C@@H]1C ZINC000947711228 608930571 /nfs/dbraw/zinc/93/05/71/608930571.db2.gz UDHGCKKUUHBDRI-WDEREUQCSA-N 1 1 341.437 0.216 20 30 ECEDMO C[C@H]1CN(C(=O)NCC#CCO)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000923780229 608935867 /nfs/dbraw/zinc/93/58/67/608935867.db2.gz JFNWQEIDTAQDOM-RDJZCZTQSA-N 1 1 331.416 0.431 20 30 ECEDMO C[C@H]1CN(C(=O)NCC#CCO)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000923780229 608935870 /nfs/dbraw/zinc/93/58/70/608935870.db2.gz JFNWQEIDTAQDOM-RDJZCZTQSA-N 1 1 331.416 0.431 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000936119561 608963278 /nfs/dbraw/zinc/96/32/78/608963278.db2.gz MHEMRLWWDIGUJL-KFWWJZLASA-N 1 1 332.404 0.500 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C[C@@H]1C ZINC000947731507 609010810 /nfs/dbraw/zinc/01/08/10/609010810.db2.gz MTQQKFWGINJKGM-KBPBESRZSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC000937736402 609050843 /nfs/dbraw/zinc/05/08/43/609050843.db2.gz LWRDHGSJUYYEEH-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC000937736402 609050847 /nfs/dbraw/zinc/05/08/47/609050847.db2.gz LWRDHGSJUYYEEH-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cnns2)C1 ZINC000936758538 609057749 /nfs/dbraw/zinc/05/77/49/609057749.db2.gz JXQWQFATNXECQO-STQMWFEESA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cnns2)C1 ZINC000936758538 609057751 /nfs/dbraw/zinc/05/77/51/609057751.db2.gz JXQWQFATNXECQO-STQMWFEESA-N 1 1 347.444 0.309 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000937756130 609060889 /nfs/dbraw/zinc/06/08/89/609060889.db2.gz LOCNFUCAYFQODT-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000937796157 609089423 /nfs/dbraw/zinc/08/94/23/609089423.db2.gz RJUWXPJJESSYRR-QEJZJMRPSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937799053 609090810 /nfs/dbraw/zinc/09/08/10/609090810.db2.gz UWNYBUSIVRWYPI-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937322932 609131626 /nfs/dbraw/zinc/13/16/26/609131626.db2.gz HWZQCEVDGMABCR-GJZGRUSLSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)ncn2)C1 ZINC000938170526 609482334 /nfs/dbraw/zinc/48/23/34/609482334.db2.gz JGBJNZAPCYTFFB-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)ncn2)C1 ZINC000938170526 609482335 /nfs/dbraw/zinc/48/23/35/609482335.db2.gz JGBJNZAPCYTFFB-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000938170968 609482795 /nfs/dbraw/zinc/48/27/95/609482795.db2.gz RMLRXJGJMBOLJO-MPGHIAIKSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000938170968 609482799 /nfs/dbraw/zinc/48/27/99/609482799.db2.gz RMLRXJGJMBOLJO-MPGHIAIKSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncc(C)c2)C1 ZINC000938170803 609482805 /nfs/dbraw/zinc/48/28/05/609482805.db2.gz NBUHUMGOIWKYHG-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncc(C)c2)C1 ZINC000938170803 609482809 /nfs/dbraw/zinc/48/28/09/609482809.db2.gz NBUHUMGOIWKYHG-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2nccc2C)C1 ZINC000938170531 609482910 /nfs/dbraw/zinc/48/29/10/609482910.db2.gz JKGHUKACPCBHTI-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2nccc2C)C1 ZINC000938170531 609482912 /nfs/dbraw/zinc/48/29/12/609482912.db2.gz JKGHUKACPCBHTI-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000938173583 609486146 /nfs/dbraw/zinc/48/61/46/609486146.db2.gz VIUYDHZVLQVGTK-GJZGRUSLSA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000938173583 609486149 /nfs/dbraw/zinc/48/61/49/609486149.db2.gz VIUYDHZVLQVGTK-GJZGRUSLSA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2coc(OC)n2)C1 ZINC000938173808 609486386 /nfs/dbraw/zinc/48/63/86/609486386.db2.gz XXMNDWJLXVNVNQ-JSGCOSHPSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2coc(OC)n2)C1 ZINC000938173808 609486387 /nfs/dbraw/zinc/48/63/87/609486387.db2.gz XXMNDWJLXVNVNQ-JSGCOSHPSA-N 1 1 346.387 0.112 20 30 ECEDMO C=C(C)Cn1c(-c2cccnn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000909302122 609692903 /nfs/dbraw/zinc/69/29/03/609692903.db2.gz RZWZAGFYQPYEHO-AWEZNQCLSA-N 1 1 341.419 0.832 20 30 ECEDMO C=C(C)Cn1c(-c2cccnn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000909302122 609692904 /nfs/dbraw/zinc/69/29/04/609692904.db2.gz RZWZAGFYQPYEHO-AWEZNQCLSA-N 1 1 341.419 0.832 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921322457 609703275 /nfs/dbraw/zinc/70/32/75/609703275.db2.gz SLHYIYFGYMQILV-AGIUHOORSA-N 1 1 332.495 0.492 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921322457 609703276 /nfs/dbraw/zinc/70/32/76/609703276.db2.gz SLHYIYFGYMQILV-AGIUHOORSA-N 1 1 332.495 0.492 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2c3c(nn2C)CCCC3)CC1 ZINC000921436568 609716293 /nfs/dbraw/zinc/71/62/93/609716293.db2.gz XHMQVNRSLVSDPG-UHFFFAOYSA-N 1 1 336.461 0.675 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000938322406 609735987 /nfs/dbraw/zinc/73/59/87/609735987.db2.gz RVTDQBVLBDQJDH-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2coc(OC)n2)C1 ZINC000938333778 609740792 /nfs/dbraw/zinc/74/07/92/609740792.db2.gz YSQUOINKOMSCLL-JSGCOSHPSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2coc(OC)n2)C1 ZINC000938333778 609740793 /nfs/dbraw/zinc/74/07/93/609740793.db2.gz YSQUOINKOMSCLL-JSGCOSHPSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1 ZINC000923594555 609740977 /nfs/dbraw/zinc/74/09/77/609740977.db2.gz CDZUAKYOYKBRRC-HZPDHXFCSA-N 1 1 328.416 0.480 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1 ZINC000923594555 609740979 /nfs/dbraw/zinc/74/09/79/609740979.db2.gz CDZUAKYOYKBRRC-HZPDHXFCSA-N 1 1 328.416 0.480 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC000938372421 609759155 /nfs/dbraw/zinc/75/91/55/609759155.db2.gz GPEUJIWYKMPOHC-INIZCTEOSA-N 1 1 337.383 0.599 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000938375198 609760424 /nfs/dbraw/zinc/76/04/24/609760424.db2.gz LUVXCLHAJOWHDU-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000948850087 609769494 /nfs/dbraw/zinc/76/94/94/609769494.db2.gz WTZJMPSTLFKIQZ-HUUCEWRRSA-N 1 1 343.493 0.909 20 30 ECEDMO CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910905451 609778879 /nfs/dbraw/zinc/77/88/79/609778879.db2.gz FJALYFBGNDEXRM-SUMWQHHRSA-N 1 1 346.456 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000923595207 609780534 /nfs/dbraw/zinc/78/05/34/609780534.db2.gz RNRWYBCSYPIMEZ-AWEZNQCLSA-N 1 1 343.383 0.359 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000923595207 609780536 /nfs/dbraw/zinc/78/05/36/609780536.db2.gz RNRWYBCSYPIMEZ-AWEZNQCLSA-N 1 1 343.383 0.359 20 30 ECEDMO C#CCCCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000174123530 609787421 /nfs/dbraw/zinc/78/74/21/609787421.db2.gz JPWJRBVOCOQYKQ-UHFFFAOYSA-N 1 1 330.436 0.701 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000938540386 609858289 /nfs/dbraw/zinc/85/82/89/609858289.db2.gz VYHZMPFKQNRYDX-ZIAGYGMSSA-N 1 1 346.435 0.089 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)Cc1csc(C#N)c1 ZINC000915696393 609919813 /nfs/dbraw/zinc/91/98/13/609919813.db2.gz HXZJCSIUTFAYKA-UHFFFAOYSA-N 1 1 344.506 0.923 20 30 ECEDMO CN(CCCNS(=O)(=O)Cc1csc(C#N)c1)CC[NH+](C)C ZINC000915696393 609919816 /nfs/dbraw/zinc/91/98/16/609919816.db2.gz HXZJCSIUTFAYKA-UHFFFAOYSA-N 1 1 344.506 0.923 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000938695632 609945824 /nfs/dbraw/zinc/94/58/24/609945824.db2.gz YRNNVIWCOSAQHO-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000938695632 609945827 /nfs/dbraw/zinc/94/58/27/609945827.db2.gz YRNNVIWCOSAQHO-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cs1 ZINC000916812392 609949491 /nfs/dbraw/zinc/94/94/91/609949491.db2.gz GIEMQLOAXHECNO-NWDGAFQWSA-N 1 1 327.431 0.200 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H](C)N1CC#N ZINC000916843262 609951255 /nfs/dbraw/zinc/95/12/55/609951255.db2.gz UNNRDZSDMLIZDZ-XUWVNRHRSA-N 1 1 335.452 0.477 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCCCC1 ZINC000917056232 609959851 /nfs/dbraw/zinc/95/98/51/609959851.db2.gz PVAQGSOEZUXOSF-OAHLLOKOSA-N 1 1 340.493 0.770 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CCCCC1 ZINC000917056232 609959853 /nfs/dbraw/zinc/95/98/53/609959853.db2.gz PVAQGSOEZUXOSF-OAHLLOKOSA-N 1 1 340.493 0.770 20 30 ECEDMO N#CCN1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000917308413 609969145 /nfs/dbraw/zinc/96/91/45/609969145.db2.gz RMEMQGJWMYRQPW-LSDHHAIUSA-N 1 1 337.493 0.853 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCn3c(CO)nnc3C2)cc1 ZINC000930007514 609994709 /nfs/dbraw/zinc/99/47/09/609994709.db2.gz SURMFGNPOSIHBI-UHFFFAOYSA-N 1 1 325.372 0.596 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCn3c(CO)nnc3C2)cc1 ZINC000930007514 609994711 /nfs/dbraw/zinc/99/47/11/609994711.db2.gz SURMFGNPOSIHBI-UHFFFAOYSA-N 1 1 325.372 0.596 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000938830154 610029642 /nfs/dbraw/zinc/02/96/42/610029642.db2.gz LRKBEBVKPHXUNA-OLZOCXBDSA-N 1 1 345.403 0.761 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938904019 610036358 /nfs/dbraw/zinc/03/63/58/610036358.db2.gz WXSMXVKGAPVIEI-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)[nH]3)[C@@H](C)C2)nn1 ZINC000939277357 610146694 /nfs/dbraw/zinc/14/66/94/610146694.db2.gz ORJYCABWUJQWHS-JQWIXIFHSA-N 1 1 330.396 0.141 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000939307450 610157951 /nfs/dbraw/zinc/15/79/51/610157951.db2.gz QGYUEGZFTAXNQB-GJZGRUSLSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000939307450 610157952 /nfs/dbraw/zinc/15/79/52/610157952.db2.gz QGYUEGZFTAXNQB-GJZGRUSLSA-N 1 1 343.431 0.109 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000939406175 610192496 /nfs/dbraw/zinc/19/24/96/610192496.db2.gz MAJRKCYXXMIQFM-UONOGXRCSA-N 1 1 343.431 0.981 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000940063998 610199293 /nfs/dbraw/zinc/19/92/93/610199293.db2.gz WXBIMNSXYPFWDC-MRVWCRGKSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000940100841 610213271 /nfs/dbraw/zinc/21/32/71/610213271.db2.gz PERFBSIIGWLEFH-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC000939615014 610248356 /nfs/dbraw/zinc/24/83/56/610248356.db2.gz FWBPJFYEDSYYBF-CZUORRHYSA-N 1 1 338.415 0.371 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nn(C)cc2C)C1 ZINC000940350830 610271026 /nfs/dbraw/zinc/27/10/26/610271026.db2.gz WXOQULBXURYOQV-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nn(C)cc2C)C1 ZINC000940350830 610271027 /nfs/dbraw/zinc/27/10/27/610271027.db2.gz WXOQULBXURYOQV-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ncc(OC)cc3F)CC2)C1 ZINC000941431334 610312237 /nfs/dbraw/zinc/31/22/37/610312237.db2.gz OPPUVMIBISGANT-UHFFFAOYSA-N 1 1 334.395 0.857 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(C(F)F)ncn3)CC2)C1 ZINC000941455724 610318210 /nfs/dbraw/zinc/31/82/10/610318210.db2.gz BUEIFGMYDGGJMT-UHFFFAOYSA-N 1 1 349.385 0.880 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)CC2)C1 ZINC000941449342 610323890 /nfs/dbraw/zinc/32/38/90/610323890.db2.gz OGXJUCMYVXWIKG-UHFFFAOYSA-N 1 1 343.431 0.688 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940659312 610326736 /nfs/dbraw/zinc/32/67/36/610326736.db2.gz VZPVUZMLEXADJA-BXUZGUMPSA-N 1 1 331.420 0.851 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941470390 610329264 /nfs/dbraw/zinc/32/92/64/610329264.db2.gz DIUHUGXQYOUCHZ-SFHVURJKSA-N 1 1 332.492 0.568 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940692655 610332713 /nfs/dbraw/zinc/33/27/13/610332713.db2.gz CRRJSXDRTQNQOB-ZIAGYGMSSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)C1 ZINC000941479997 610334912 /nfs/dbraw/zinc/33/49/12/610334912.db2.gz FPXYSLCPKSQUOT-IBGZPJMESA-N 1 1 339.439 0.842 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000940770987 610363859 /nfs/dbraw/zinc/36/38/59/610363859.db2.gz AEXBNJIHENUTQO-IJEWVQPXSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4cnn(C)c4C3)CC2)C1 ZINC000941534420 610365604 /nfs/dbraw/zinc/36/56/04/610365604.db2.gz ZAQVNLMTOBCEOJ-HNNXBMFYSA-N 1 1 343.475 0.539 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3c[nH]c(=O)cc3OC)CC2)C1 ZINC000941568554 610377362 /nfs/dbraw/zinc/37/73/62/610377362.db2.gz RVKBDSFSMLOHON-UHFFFAOYSA-N 1 1 346.431 0.814 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4ccncc4C3)CC2)C1 ZINC000941566283 610386402 /nfs/dbraw/zinc/38/64/02/610386402.db2.gz AAGVHMNGUUWHAU-MRXNPFEDSA-N 1 1 326.444 0.811 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000941596014 610390747 /nfs/dbraw/zinc/39/07/47/610390747.db2.gz SLZPASCJOCHIMH-GOSISDBHSA-N 1 1 332.492 0.711 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940847439 610398310 /nfs/dbraw/zinc/39/83/10/610398310.db2.gz XIPHWXUKGONZHZ-UONOGXRCSA-N 1 1 345.447 0.786 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3conc3COC)CC2)C1 ZINC000941636365 610422494 /nfs/dbraw/zinc/42/24/94/610422494.db2.gz JDSGFHUJALSEQW-UHFFFAOYSA-N 1 1 332.404 0.286 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000941638662 610424145 /nfs/dbraw/zinc/42/41/45/610424145.db2.gz SFIGOKXRNSFHET-CQSZACIVSA-N 1 1 343.431 0.982 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(OC)cc[nH]c3=O)CC2)C1 ZINC000941640908 610425802 /nfs/dbraw/zinc/42/58/02/610425802.db2.gz IOMYQGJQSDQZJO-UHFFFAOYSA-N 1 1 344.415 0.261 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](OC)C2CC2)CC1 ZINC000940904445 610427582 /nfs/dbraw/zinc/42/75/82/610427582.db2.gz FDYAERMQEQBXMN-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](OC)C2CC2)CC1 ZINC000940904445 610427584 /nfs/dbraw/zinc/42/75/84/610427584.db2.gz FDYAERMQEQBXMN-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nc1 ZINC000942428243 610444289 /nfs/dbraw/zinc/44/42/89/610444289.db2.gz BMKKYTWYDHOHFW-GDBMZVCRSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000941678048 610450910 /nfs/dbraw/zinc/45/09/10/610450910.db2.gz UONMEJKEUDOLTF-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)C1 ZINC000941682462 610461696 /nfs/dbraw/zinc/46/16/96/610461696.db2.gz UDGIGPZXEBJFML-KRWDZBQOSA-N 1 1 343.475 0.913 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)F)[C@H](OC)C1 ZINC000941004780 610488697 /nfs/dbraw/zinc/48/86/97/610488697.db2.gz QPFGXBSLJXYHBH-HZSPNIEDSA-N 1 1 339.411 0.174 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)F)[C@H](OC)C1 ZINC000941004780 610488700 /nfs/dbraw/zinc/48/87/00/610488700.db2.gz QPFGXBSLJXYHBH-HZSPNIEDSA-N 1 1 339.411 0.174 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 ZINC000941788197 610493989 /nfs/dbraw/zinc/49/39/89/610493989.db2.gz DDYIIMAZMXMAFI-MWLCHTKSSA-N 1 1 343.229 0.408 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 ZINC000941788197 610493992 /nfs/dbraw/zinc/49/39/92/610493992.db2.gz DDYIIMAZMXMAFI-MWLCHTKSSA-N 1 1 343.229 0.408 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)CC1(C)C ZINC000941038580 610500666 /nfs/dbraw/zinc/50/06/66/610500666.db2.gz FTWPDPNQDSOHOE-QLFBSQMISA-N 1 1 337.464 0.882 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](C)C1 ZINC000942530123 610501379 /nfs/dbraw/zinc/50/13/79/610501379.db2.gz PHPYEFAGDTUSGQ-HIFRSBDPSA-N 1 1 339.403 0.521 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@H](C)C1 ZINC000942581459 610524947 /nfs/dbraw/zinc/52/49/47/610524947.db2.gz HDGYBPBNMLJIGT-OCCSQVGLSA-N 1 1 326.404 0.827 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941091339 610532369 /nfs/dbraw/zinc/53/23/69/610532369.db2.gz QMEBSRIFBBXCFF-KBPBESRZSA-N 1 1 343.493 0.813 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]2C)c1 ZINC000942618368 610539744 /nfs/dbraw/zinc/53/97/44/610539744.db2.gz VAUORSGCQVCCFG-CXAGYDPISA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C[C@H]2C)c1 ZINC000942618368 610539747 /nfs/dbraw/zinc/53/97/47/610539747.db2.gz VAUORSGCQVCCFG-CXAGYDPISA-N 1 1 338.415 0.832 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000948381469 610561791 /nfs/dbraw/zinc/56/17/91/610561791.db2.gz PCZDJNHVFCMJRC-CYBMUJFWSA-N 1 1 334.424 0.266 20 30 ECEDMO C[C@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929538 610567030 /nfs/dbraw/zinc/56/70/30/610567030.db2.gz NTECYKUFRLVKHR-JSGCOSHPSA-N 1 1 327.392 0.618 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931203 610568221 /nfs/dbraw/zinc/56/82/21/610568221.db2.gz XPVCAPHONBAKMH-SWLSCSKDSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941967804 610581396 /nfs/dbraw/zinc/58/13/96/610581396.db2.gz UPTTTYOLVQSJTF-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000942728307 610588710 /nfs/dbraw/zinc/58/87/10/610588710.db2.gz CFCDTEWCNHREIL-LSDHHAIUSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000941245388 610616073 /nfs/dbraw/zinc/61/60/73/610616073.db2.gz NSMISRVZXLISSF-TWMKSMIVSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000941245388 610616075 /nfs/dbraw/zinc/61/60/75/610616075.db2.gz NSMISRVZXLISSF-TWMKSMIVSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c(C)ccn2C)C1 ZINC000941237535 610620729 /nfs/dbraw/zinc/62/07/29/610620729.db2.gz BVDBURMQPSNKGA-CVEARBPZSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c(C)ccn2C)C1 ZINC000941237535 610620731 /nfs/dbraw/zinc/62/07/31/610620731.db2.gz BVDBURMQPSNKGA-CVEARBPZSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c(C)noc2C)C1 ZINC000941237990 610621657 /nfs/dbraw/zinc/62/16/57/610621657.db2.gz OLULSFPPBSEKBM-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c(C)noc2C)C1 ZINC000941237990 610621660 /nfs/dbraw/zinc/62/16/60/610621660.db2.gz OLULSFPPBSEKBM-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942054185 610633394 /nfs/dbraw/zinc/63/33/94/610633394.db2.gz WFYRXBBIMBMTPX-BBRMVZONSA-N 1 1 339.403 0.572 20 30 ECEDMO Cc1noc(CCC[NH+]2CC(N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC000941348888 610685592 /nfs/dbraw/zinc/68/55/92/610685592.db2.gz SFTGJDMOKJSASK-CYBMUJFWSA-N 1 1 346.435 0.299 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 ZINC000942175256 610686255 /nfs/dbraw/zinc/68/62/55/610686255.db2.gz HMLCUOBZAWRVES-UKRRQHHQSA-N 1 1 338.473 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000942231650 610708802 /nfs/dbraw/zinc/70/88/02/610708802.db2.gz JUTFUJSLSCEWEY-HMDCTGQHSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000942231650 610708804 /nfs/dbraw/zinc/70/88/04/610708804.db2.gz JUTFUJSLSCEWEY-HMDCTGQHSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2CC(OC)C2)CC1 ZINC000941379777 610709062 /nfs/dbraw/zinc/70/90/62/610709062.db2.gz ZNLDTLMPMHUHNV-JCYILVPMSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2CC(OC)C2)CC1 ZINC000941379777 610709065 /nfs/dbraw/zinc/70/90/65/610709065.db2.gz ZNLDTLMPMHUHNV-JCYILVPMSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 ZINC000944136104 610752610 /nfs/dbraw/zinc/75/26/10/610752610.db2.gz RRYWLWHWJUKCHJ-KGLIPLIRSA-N 1 1 336.436 0.673 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000943229762 610755802 /nfs/dbraw/zinc/75/58/02/610755802.db2.gz DGINRGXADULXAX-GXTWGEPZSA-N 1 1 334.420 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)C(F)F)C1 ZINC000943334892 610807002 /nfs/dbraw/zinc/80/70/02/610807002.db2.gz CXEZXBPAEBGOPN-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)C(F)F)C1 ZINC000943334892 610807005 /nfs/dbraw/zinc/80/70/05/610807005.db2.gz CXEZXBPAEBGOPN-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000944894646 610821560 /nfs/dbraw/zinc/82/15/60/610821560.db2.gz XBJJSRIZBSHDTE-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000944894646 610821561 /nfs/dbraw/zinc/82/15/61/610821561.db2.gz XBJJSRIZBSHDTE-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2C)nn1 ZINC000943497564 610884104 /nfs/dbraw/zinc/88/41/04/610884104.db2.gz LQSBEDWSTIXJEN-KGLIPLIRSA-N 1 1 344.423 0.196 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@@H](C)C1 ZINC000944444145 610889740 /nfs/dbraw/zinc/88/97/40/610889740.db2.gz JKNJDHZXIFQFJV-AAEUAGOBSA-N 1 1 325.372 0.804 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC000945035153 610890191 /nfs/dbraw/zinc/89/01/91/610890191.db2.gz KGGMCZYYKAOTOA-CABCVRRESA-N 1 1 332.448 0.939 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC000945184738 610938475 /nfs/dbraw/zinc/93/84/75/610938475.db2.gz XMIUPIZBJJPYGI-RDJZCZTQSA-N 1 1 348.491 0.246 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C ZINC000945319498 611023439 /nfs/dbraw/zinc/02/34/39/611023439.db2.gz UZORMKWGXUQCJP-BBRMVZONSA-N 1 1 328.416 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccc[nH]2)CCO1 ZINC000944649001 611057707 /nfs/dbraw/zinc/05/77/07/611057707.db2.gz XXSUBNRORSSSLW-ZBFHGGJFSA-N 1 1 344.415 0.070 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccc[nH]2)CCO1 ZINC000944649001 611057709 /nfs/dbraw/zinc/05/77/09/611057709.db2.gz XXSUBNRORSSSLW-ZBFHGGJFSA-N 1 1 344.415 0.070 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 ZINC000944014008 611085375 /nfs/dbraw/zinc/08/53/75/611085375.db2.gz CJJPDABOKKDZHK-JQWIXIFHSA-N 1 1 342.827 0.507 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 ZINC000944014008 611085378 /nfs/dbraw/zinc/08/53/78/611085378.db2.gz CJJPDABOKKDZHK-JQWIXIFHSA-N 1 1 342.827 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC000944100029 611131812 /nfs/dbraw/zinc/13/18/12/611131812.db2.gz LIHGVZGIKBFTQW-ZBFHGGJFSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC000944100029 611131813 /nfs/dbraw/zinc/13/18/13/611131813.db2.gz LIHGVZGIKBFTQW-ZBFHGGJFSA-N 1 1 346.406 0.972 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]2C1 ZINC000946821747 611173168 /nfs/dbraw/zinc/17/31/68/611173168.db2.gz RYKOYPLOEYDTFK-OKILXGFUSA-N 1 1 333.432 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]3CC2)nc1 ZINC000946864098 611207715 /nfs/dbraw/zinc/20/77/15/611207715.db2.gz TVVXGAJVVDUDFV-BMFZPTHFSA-N 1 1 340.427 0.721 20 30 ECEDMO C#CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000921528122 611246864 /nfs/dbraw/zinc/24/68/64/611246864.db2.gz SYWYOHVBTXVAKF-QZTJIDSGSA-N 1 1 348.491 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CNc2ccc(S(C)(=O)=O)cc2)C1 ZINC000923553604 611259808 /nfs/dbraw/zinc/25/98/08/611259808.db2.gz LIXWUUZBUOFLCG-HNNXBMFYSA-N 1 1 349.456 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CNc2ccc(S(C)(=O)=O)cc2)C1 ZINC000923553604 611259811 /nfs/dbraw/zinc/25/98/11/611259811.db2.gz LIXWUUZBUOFLCG-HNNXBMFYSA-N 1 1 349.456 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn(CC3(CC)COC3)nn2)C1 ZINC000923555473 611259967 /nfs/dbraw/zinc/25/99/67/611259967.db2.gz RFQZKRCAWUYSRO-AWEZNQCLSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC3(CC)COC3)nn2)C1 ZINC000923555473 611259969 /nfs/dbraw/zinc/25/99/69/611259969.db2.gz RFQZKRCAWUYSRO-AWEZNQCLSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000923589097 611270404 /nfs/dbraw/zinc/27/04/04/611270404.db2.gz NAJXVQMKNKHFSF-LLVKDONJSA-N 1 1 341.458 0.152 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000923589097 611270406 /nfs/dbraw/zinc/27/04/06/611270406.db2.gz NAJXVQMKNKHFSF-LLVKDONJSA-N 1 1 341.458 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000923590587 611270830 /nfs/dbraw/zinc/27/08/30/611270830.db2.gz XIVULCPUWMOKQP-SDDRHHMPSA-N 1 1 331.338 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000923590587 611270832 /nfs/dbraw/zinc/27/08/32/611270832.db2.gz XIVULCPUWMOKQP-SDDRHHMPSA-N 1 1 331.338 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(CS(N)(=O)=O)c2)C1 ZINC000923584713 611271452 /nfs/dbraw/zinc/27/14/52/611271452.db2.gz REQTZOQGSZKYNV-HNNXBMFYSA-N 1 1 335.429 0.303 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CS(N)(=O)=O)c2)C1 ZINC000923584713 611271454 /nfs/dbraw/zinc/27/14/54/611271454.db2.gz REQTZOQGSZKYNV-HNNXBMFYSA-N 1 1 335.429 0.303 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000834600449 611294406 /nfs/dbraw/zinc/29/44/06/611294406.db2.gz YQDOGHZOTBLUOJ-IAGOWNOFSA-N 1 1 348.491 0.248 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2CC1 ZINC000946514584 611294986 /nfs/dbraw/zinc/29/49/86/611294986.db2.gz HNMLPTJEMWLTTD-TUVASFSCSA-N 1 1 332.448 0.984 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2CC1 ZINC000946521318 611298532 /nfs/dbraw/zinc/29/85/32/611298532.db2.gz NXDQQTMPHAUUMP-FQUUOJAGSA-N 1 1 332.404 0.122 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000835489875 611307972 /nfs/dbraw/zinc/30/79/72/611307972.db2.gz MKBGZMGARXZSFM-MRXNPFEDSA-N 1 1 329.400 0.569 20 30 ECEDMO NS(=O)(=O)c1ccc(C=NNCCC[NH+]2CCOCC2)c(F)c1 ZINC000842531835 611315278 /nfs/dbraw/zinc/31/52/78/611315278.db2.gz MVDRQCODPDUGDL-UHFFFAOYSA-N 1 1 344.412 0.119 20 30 ECEDMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1 ZINC000946558861 611319622 /nfs/dbraw/zinc/31/96/22/611319622.db2.gz NHFHXFVQWAEJFE-MELADBBJSA-N 1 1 343.431 0.805 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000930173308 611335739 /nfs/dbraw/zinc/33/57/39/611335739.db2.gz IFVPTZXGWQAJOV-HNNXBMFYSA-N 1 1 335.429 0.749 20 30 ECEDMO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933651944 611738519 /nfs/dbraw/zinc/73/85/19/611738519.db2.gz QGJRNOMFJHQJKP-UHFFFAOYSA-N 1 1 332.404 0.716 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1 ZINC000933698047 611742080 /nfs/dbraw/zinc/74/20/80/611742080.db2.gz NEJXKHCSRXTMJG-HIFRSBDPSA-N 1 1 349.456 0.853 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933699188 611742309 /nfs/dbraw/zinc/74/23/09/611742309.db2.gz KHUPOQULJHNPBE-MCIONIFRSA-N 1 1 329.466 0.432 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000933732508 611745273 /nfs/dbraw/zinc/74/52/73/611745273.db2.gz KVLPNXBNBIOPRO-ZNMIVQPWSA-N 1 1 336.413 0.274 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000933732508 611745274 /nfs/dbraw/zinc/74/52/74/611745274.db2.gz KVLPNXBNBIOPRO-ZNMIVQPWSA-N 1 1 336.413 0.274 20 30 ECEDMO CN1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+](C)CC1 ZINC000933993607 611764290 /nfs/dbraw/zinc/76/42/90/611764290.db2.gz YXQHKELOIIUIOT-OAHLLOKOSA-N 1 1 347.488 0.904 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C)nn1 ZINC000949866871 611789782 /nfs/dbraw/zinc/78/97/82/611789782.db2.gz JNPITZMTWSWIJR-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C)nn1 ZINC000949866871 611789784 /nfs/dbraw/zinc/78/97/84/611789784.db2.gz JNPITZMTWSWIJR-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)CCC1(O)CCC1 ZINC000929826127 611798142 /nfs/dbraw/zinc/79/81/42/611798142.db2.gz UDGPFIXFJKMWQG-CABCVRRESA-N 1 1 345.447 0.915 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)CCC1(O)CCC1 ZINC000929826127 611798144 /nfs/dbraw/zinc/79/81/44/611798144.db2.gz UDGPFIXFJKMWQG-CABCVRRESA-N 1 1 345.447 0.915 20 30 ECEDMO CCN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC000949891854 611802096 /nfs/dbraw/zinc/80/20/96/611802096.db2.gz ZDHTYLNAYBLBSF-OAHLLOKOSA-N 1 1 342.403 0.290 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000950645428 611814408 /nfs/dbraw/zinc/81/44/08/611814408.db2.gz WXZUSVAZHCKNHB-YUELXQCFSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000950645428 611814412 /nfs/dbraw/zinc/81/44/12/611814412.db2.gz WXZUSVAZHCKNHB-YUELXQCFSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CCC[NH+]1CCC2(CC1)CN(C(=O)CCc1nc[nH]n1)CCO2 ZINC000949063916 611837550 /nfs/dbraw/zinc/83/75/50/611837550.db2.gz DIXOZZXTNXBQSW-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)C[C@H]2CC[N@H+](C)C2)nn1 ZINC000950053112 611853882 /nfs/dbraw/zinc/85/38/82/611853882.db2.gz QFYKBWZXVFKWIS-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000950080822 611861458 /nfs/dbraw/zinc/86/14/58/611861458.db2.gz SMUAHOZPKJWTIF-IRXDYDNUSA-N 1 1 325.412 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccsn1 ZINC000950735038 611870732 /nfs/dbraw/zinc/87/07/32/611870732.db2.gz ZINHESWQTHHJLP-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccsn1 ZINC000950735038 611870733 /nfs/dbraw/zinc/87/07/33/611870733.db2.gz ZINHESWQTHHJLP-JSGCOSHPSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC000950140010 611881516 /nfs/dbraw/zinc/88/15/16/611881516.db2.gz AOENPMOPEPFOJK-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC000950140010 611881517 /nfs/dbraw/zinc/88/15/17/611881517.db2.gz AOENPMOPEPFOJK-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1scnc1C ZINC000950753967 611889522 /nfs/dbraw/zinc/88/95/22/611889522.db2.gz PFJUFGMIGOOJTA-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1scnc1C ZINC000950753967 611889525 /nfs/dbraw/zinc/88/95/25/611889525.db2.gz PFJUFGMIGOOJTA-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cccnc1 ZINC000950754542 611889658 /nfs/dbraw/zinc/88/96/58/611889658.db2.gz VVRVRGNVVIRCSK-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cccnc1 ZINC000950754542 611889659 /nfs/dbraw/zinc/88/96/59/611889659.db2.gz VVRVRGNVVIRCSK-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000950234040 611919319 /nfs/dbraw/zinc/91/93/19/611919319.db2.gz LWJPAKHJLUNWRX-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000950245678 611926687 /nfs/dbraw/zinc/92/66/87/611926687.db2.gz GSLJFKSJCAQJAP-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC000949340550 611945038 /nfs/dbraw/zinc/94/50/38/611945038.db2.gz SLEALWOQYPXBEJ-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000950855098 611947203 /nfs/dbraw/zinc/94/72/03/611947203.db2.gz YGSMYQARODJCED-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC000949400858 611965425 /nfs/dbraw/zinc/96/54/25/611965425.db2.gz OZGRVYPFKMPXSY-CVEARBPZSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC000949400858 611965427 /nfs/dbraw/zinc/96/54/27/611965427.db2.gz OZGRVYPFKMPXSY-CVEARBPZSA-N 1 1 328.416 0.453 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)C1 ZINC000949429675 611977045 /nfs/dbraw/zinc/97/70/45/611977045.db2.gz BINWVSYPCJLTCQ-LSDHHAIUSA-N 1 1 333.432 0.215 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)C1 ZINC000949429675 611977047 /nfs/dbraw/zinc/97/70/47/611977047.db2.gz BINWVSYPCJLTCQ-LSDHHAIUSA-N 1 1 333.432 0.215 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949448365 611984179 /nfs/dbraw/zinc/98/41/79/611984179.db2.gz BNUANMOXSKFRFU-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC3(CC2)C[N@H+](CC#CC)CCO3)nn1 ZINC000949489610 612003138 /nfs/dbraw/zinc/00/31/38/612003138.db2.gz KZBZVAPZIOMIJW-UHFFFAOYSA-N 1 1 343.431 0.794 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC3(CC2)C[N@@H+](CC#CC)CCO3)nn1 ZINC000949489610 612003139 /nfs/dbraw/zinc/00/31/39/612003139.db2.gz KZBZVAPZIOMIJW-UHFFFAOYSA-N 1 1 343.431 0.794 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cc3nonc3C)CC2)C1 ZINC000949503549 612011667 /nfs/dbraw/zinc/01/16/67/612011667.db2.gz HQKYTCXZJRDEQR-UHFFFAOYSA-N 1 1 332.404 0.637 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC000949515295 612017705 /nfs/dbraw/zinc/01/77/05/612017705.db2.gz KFBKAMHSQCAFDB-UHFFFAOYSA-N 1 1 343.427 0.716 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC000949515295 612017706 /nfs/dbraw/zinc/01/77/06/612017706.db2.gz KFBKAMHSQCAFDB-UHFFFAOYSA-N 1 1 343.427 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1coc(C)n1 ZINC000949563046 612032055 /nfs/dbraw/zinc/03/20/55/612032055.db2.gz QCRDYMJDPIZUHF-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1coc(C)n1 ZINC000949563046 612032057 /nfs/dbraw/zinc/03/20/57/612032057.db2.gz QCRDYMJDPIZUHF-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cncnc2)C1 ZINC000950534877 612058374 /nfs/dbraw/zinc/05/83/74/612058374.db2.gz GCMDBEYGRIMQKX-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cncnc2)C1 ZINC000950534877 612058375 /nfs/dbraw/zinc/05/83/75/612058375.db2.gz GCMDBEYGRIMQKX-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cccn2C)C1 ZINC000951223369 612087656 /nfs/dbraw/zinc/08/76/56/612087656.db2.gz FRUKAFJBSYLASF-RDJZCZTQSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cccn2C)C1 ZINC000951223369 612087658 /nfs/dbraw/zinc/08/76/58/612087658.db2.gz FRUKAFJBSYLASF-RDJZCZTQSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2oncc2C)C1 ZINC000951223532 612088692 /nfs/dbraw/zinc/08/86/92/612088692.db2.gz JVFXTLSJKLZGRE-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2oncc2C)C1 ZINC000951223532 612088695 /nfs/dbraw/zinc/08/86/95/612088695.db2.gz JVFXTLSJKLZGRE-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC000951224009 612089140 /nfs/dbraw/zinc/08/91/40/612089140.db2.gz VZLYSSFSWNNSLB-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC000951224009 612089143 /nfs/dbraw/zinc/08/91/43/612089143.db2.gz VZLYSSFSWNNSLB-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000952065348 612210045 /nfs/dbraw/zinc/21/00/45/612210045.db2.gz YMEDXEYLGZKJJT-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000953830931 612332348 /nfs/dbraw/zinc/33/23/48/612332348.db2.gz HIYFNAYBMZWYSP-MRXNPFEDSA-N 1 1 333.432 0.180 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000953830931 612332352 /nfs/dbraw/zinc/33/23/52/612332352.db2.gz HIYFNAYBMZWYSP-MRXNPFEDSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2ncc[nH]2)C1 ZINC000954631302 612469169 /nfs/dbraw/zinc/46/91/69/612469169.db2.gz VNMCQJRASFHQSD-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2ncc[nH]2)C1 ZINC000954631302 612469173 /nfs/dbraw/zinc/46/91/73/612469173.db2.gz VNMCQJRASFHQSD-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(CC)on2)C1 ZINC000954631253 612469687 /nfs/dbraw/zinc/46/96/87/612469687.db2.gz SLORDWCMTJDSQR-INIZCTEOSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(CC)on2)C1 ZINC000954631253 612469690 /nfs/dbraw/zinc/46/96/90/612469690.db2.gz SLORDWCMTJDSQR-INIZCTEOSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccsn2)C1 ZINC000954632370 612471994 /nfs/dbraw/zinc/47/19/94/612471994.db2.gz VMHPBPVGTBABJW-AWEZNQCLSA-N 1 1 332.429 0.524 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccsn2)C1 ZINC000954632370 612471996 /nfs/dbraw/zinc/47/19/96/612471996.db2.gz VMHPBPVGTBABJW-AWEZNQCLSA-N 1 1 332.429 0.524 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000953988414 612527500 /nfs/dbraw/zinc/52/75/00/612527500.db2.gz ZCNCVPSQHIXOON-KRWDZBQOSA-N 1 1 347.459 0.570 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000953988414 612527504 /nfs/dbraw/zinc/52/75/04/612527504.db2.gz ZCNCVPSQHIXOON-KRWDZBQOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1=CCOCC1 ZINC000955978609 612556644 /nfs/dbraw/zinc/55/66/44/612556644.db2.gz LOYAETKVNCXOLR-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C1=CCOCC1 ZINC000955978609 612556646 /nfs/dbraw/zinc/55/66/46/612556646.db2.gz LOYAETKVNCXOLR-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956803434 612567678 /nfs/dbraw/zinc/56/76/78/612567678.db2.gz BUXRDETZYKLAGT-KRWDZBQOSA-N 1 1 340.387 0.812 20 30 ECEDMO N#Cc1cccc(CN2CCN(C(=O)CC[NH+]3CCOCC3)CC2)c1 ZINC000951762581 612573738 /nfs/dbraw/zinc/57/37/38/612573738.db2.gz CUPTUHMXPPOQBR-UHFFFAOYSA-N 1 1 342.443 0.925 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956834043 612604811 /nfs/dbraw/zinc/60/48/11/612604811.db2.gz IZIIJFVPAFVXOV-UGSOOPFHSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC000951785566 612610211 /nfs/dbraw/zinc/61/02/11/612610211.db2.gz UHEDEGFPOJOJMR-ZACQAIPSSA-N 1 1 348.447 0.368 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000954088589 612647195 /nfs/dbraw/zinc/64/71/95/612647195.db2.gz SPOXBADCNYPFSL-UHFFFAOYSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000956929485 612713119 /nfs/dbraw/zinc/71/31/19/612713119.db2.gz PVOTUXWHOIMQFC-CXAGYDPISA-N 1 1 346.435 0.137 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956935697 612718490 /nfs/dbraw/zinc/71/84/90/612718490.db2.gz YIBMSTWXUXVGEJ-PXAZEXFGSA-N 1 1 329.404 0.559 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954834646 612727487 /nfs/dbraw/zinc/72/74/87/612727487.db2.gz FMIMDNYOTGSRFF-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000956374657 612861144 /nfs/dbraw/zinc/86/11/44/612861144.db2.gz IBJJANBRDQDHNA-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000954402988 612893180 /nfs/dbraw/zinc/89/31/80/612893180.db2.gz FOXQHXZONRAPJH-OAGGEKHMSA-N 1 1 335.448 0.731 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954405309 612894581 /nfs/dbraw/zinc/89/45/81/612894581.db2.gz PAGUHPLKWQJGHY-IMJJTQAJSA-N 1 1 335.448 0.589 20 30 ECEDMO C=CCN(CC(=O)OCC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000091773475 612920735 /nfs/dbraw/zinc/92/07/35/612920735.db2.gz WSKKLCITVMNQJN-UHFFFAOYSA-N 1 1 333.436 0.780 20 30 ECEDMO CCOC(=O)c1cc(C)nc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C#N ZINC001164666912 719383688 /nfs/dbraw/zinc/38/36/88/719383688.db2.gz MCCZUWZWXGDZDU-LSDHHAIUSA-N 1 1 330.388 0.958 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC001041782438 782195357 /nfs/dbraw/zinc/19/53/57/782195357.db2.gz XRDYXYXUAYCOGS-MAUKXSAKSA-N 1 1 332.448 0.867 20 30 ECEDMO Cc1cc(N[C@H](C)CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)c(C#N)cn1 ZINC001098215689 735359450 /nfs/dbraw/zinc/35/94/50/735359450.db2.gz SUCBZIGRJNTXMI-RHSMWYFYSA-N 1 1 345.447 0.709 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cccnc2N(C)C)CC1 ZINC001098561106 735467756 /nfs/dbraw/zinc/46/77/56/735467756.db2.gz RROJKTMHMZTXKA-UHFFFAOYSA-N 1 1 330.432 0.680 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4c3cnn4C)[C@H]2C1 ZINC001083234999 735469104 /nfs/dbraw/zinc/46/91/04/735469104.db2.gz HPGIZDMRFIYBHL-JKSUJKDBSA-N 1 1 341.415 0.988 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4c3cnn4C)[C@H]2C1 ZINC001083234999 735469107 /nfs/dbraw/zinc/46/91/07/735469107.db2.gz HPGIZDMRFIYBHL-JKSUJKDBSA-N 1 1 341.415 0.988 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[NH2+]Cc2cn(-c3ccccc3)nn2)[nH]1 ZINC001125813958 738449176 /nfs/dbraw/zinc/44/91/76/738449176.db2.gz OASGZBYDGNKKQJ-UHFFFAOYSA-N 1 1 335.371 0.987 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000969150203 731526703 /nfs/dbraw/zinc/52/67/03/731526703.db2.gz DSURHCHFVBBIMU-CHWSQXEVSA-N 1 1 349.884 0.791 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000969150203 731526705 /nfs/dbraw/zinc/52/67/05/731526705.db2.gz DSURHCHFVBBIMU-CHWSQXEVSA-N 1 1 349.884 0.791 20 30 ECEDMO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCS1(=O)=O ZINC000969153353 731534170 /nfs/dbraw/zinc/53/41/70/731534170.db2.gz FZAQVLFWEYGOFM-GJZGRUSLSA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCS1(=O)=O ZINC000969153353 731534172 /nfs/dbraw/zinc/53/41/72/731534172.db2.gz FZAQVLFWEYGOFM-GJZGRUSLSA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn3ccnc3c2)[C@@H](n2ccnn2)C1 ZINC001069977116 790269650 /nfs/dbraw/zinc/26/96/50/790269650.db2.gz JWPKZMNFNMMKDA-CVEARBPZSA-N 1 1 349.398 0.604 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3ccnc3c2)[C@@H](n2ccnn2)C1 ZINC001069977116 790269655 /nfs/dbraw/zinc/26/96/55/790269655.db2.gz JWPKZMNFNMMKDA-CVEARBPZSA-N 1 1 349.398 0.604 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)nc1 ZINC001041793099 782219681 /nfs/dbraw/zinc/21/96/81/782219681.db2.gz DJKQPIOYHKZBPF-QFBILLFUSA-N 1 1 338.411 0.489 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ccc(C#N)nc2)C1 ZINC001125280628 731582912 /nfs/dbraw/zinc/58/29/12/731582912.db2.gz UVBLYZNVWBPVEE-YOEHRIQHSA-N 1 1 345.447 0.551 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)cn1 ZINC001041795056 782225406 /nfs/dbraw/zinc/22/54/06/782225406.db2.gz ZCDQGNVUGCUCJH-LJQANCHMSA-N 1 1 340.427 0.689 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)nc1 ZINC001041793174 782221808 /nfs/dbraw/zinc/22/18/08/782221808.db2.gz FLZSYCMSNXHAQR-SCLBCKFNSA-N 1 1 326.400 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@]1(C)CCCOC1 ZINC001078061777 782230889 /nfs/dbraw/zinc/23/08/89/782230889.db2.gz HNQAACJTMUKNKY-BXWFABGCSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@]1(C)CCCOC1 ZINC001078061777 782230899 /nfs/dbraw/zinc/23/08/99/782230899.db2.gz HNQAACJTMUKNKY-BXWFABGCSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C(C)=C\CC)C1 ZINC001041798086 782231477 /nfs/dbraw/zinc/23/14/77/782231477.db2.gz GSDBUNJVCHBVDY-GSHXUFRSSA-N 1 1 333.432 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C(C)=C\CC)C1 ZINC001041798086 782231485 /nfs/dbraw/zinc/23/14/85/782231485.db2.gz GSDBUNJVCHBVDY-GSHXUFRSSA-N 1 1 333.432 0.130 20 30 ECEDMO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005288 738534205 /nfs/dbraw/zinc/53/42/05/738534205.db2.gz DQYGTNVUODDECS-ZIAGYGMSSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005288 738534207 /nfs/dbraw/zinc/53/42/07/738534207.db2.gz DQYGTNVUODDECS-ZIAGYGMSSA-N 1 1 329.404 0.605 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973010208 738537797 /nfs/dbraw/zinc/53/77/97/738537797.db2.gz MHCOYLFVCQLZTO-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973010208 738537800 /nfs/dbraw/zinc/53/78/00/738537800.db2.gz MHCOYLFVCQLZTO-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973009814 738541036 /nfs/dbraw/zinc/54/10/36/738541036.db2.gz KPHVZXXJQSRBEL-RISCZKNCSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973009814 738541039 /nfs/dbraw/zinc/54/10/39/738541039.db2.gz KPHVZXXJQSRBEL-RISCZKNCSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CN(C)CCO1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969440414 731880369 /nfs/dbraw/zinc/88/03/69/731880369.db2.gz GKUIKZUXHIOQIT-BLLLJJGKSA-N 1 1 348.472 0.887 20 30 ECEDMO C[C@H](NC(=O)[C@H]1COCCN1C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969516424 731936491 /nfs/dbraw/zinc/93/64/91/731936491.db2.gz BNZCELXOZJAWET-BLLLJJGKSA-N 1 1 348.472 0.887 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]([NH+]2CCN(c3ncccn3)CC2)C1 ZINC001111965215 738566213 /nfs/dbraw/zinc/56/62/13/738566213.db2.gz VBEGCSSXCBXEHF-MRXNPFEDSA-N 1 1 343.431 0.239 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046147 738577913 /nfs/dbraw/zinc/57/79/13/738577913.db2.gz APOKUXPTFOCWQG-NHYWBVRUSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046147 738577915 /nfs/dbraw/zinc/57/79/15/738577915.db2.gz APOKUXPTFOCWQG-NHYWBVRUSA-N 1 1 343.431 0.994 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)C1 ZINC000969817480 732408372 /nfs/dbraw/zinc/40/83/72/732408372.db2.gz KXWMUIZPEQBMFB-BYNSBNAKSA-N 1 1 334.420 0.069 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)C1 ZINC000969817480 732408375 /nfs/dbraw/zinc/40/83/75/732408375.db2.gz KXWMUIZPEQBMFB-BYNSBNAKSA-N 1 1 334.420 0.069 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H](C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969841718 732429055 /nfs/dbraw/zinc/42/90/55/732429055.db2.gz LHHCUWTYCAQBMC-CQSZACIVSA-N 1 1 330.432 0.957 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000969968166 732574334 /nfs/dbraw/zinc/57/43/34/732574334.db2.gz OYRKFPBQMDGTKU-KFWWJZLASA-N 1 1 330.363 0.509 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2CCC)C1 ZINC000970017782 732628456 /nfs/dbraw/zinc/62/84/56/732628456.db2.gz ZVFLRGGBDDAYKU-MCIONIFRSA-N 1 1 334.424 0.365 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC001098527069 732676829 /nfs/dbraw/zinc/67/68/29/732676829.db2.gz SWRPSIRVXNOKRD-HNNXBMFYSA-N 1 1 344.459 0.823 20 30 ECEDMO C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC001098527069 732676833 /nfs/dbraw/zinc/67/68/33/732676833.db2.gz SWRPSIRVXNOKRD-HNNXBMFYSA-N 1 1 344.459 0.823 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC001098527069 732676835 /nfs/dbraw/zinc/67/68/35/732676835.db2.gz SWRPSIRVXNOKRD-HNNXBMFYSA-N 1 1 344.459 0.823 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC001041821354 782271162 /nfs/dbraw/zinc/27/11/62/782271162.db2.gz DYQBARPNXWJHJQ-SFHVURJKSA-N 1 1 332.448 0.725 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001078081996 782273792 /nfs/dbraw/zinc/27/37/92/782273792.db2.gz AOGPPZCBCPCFBS-RTBURBONSA-N 1 1 335.407 0.967 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001078081996 782273797 /nfs/dbraw/zinc/27/37/97/782273797.db2.gz AOGPPZCBCPCFBS-RTBURBONSA-N 1 1 335.407 0.967 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001041824979 782280170 /nfs/dbraw/zinc/28/01/70/782280170.db2.gz ZPGJSZJSBHEHNJ-CXAGYDPISA-N 1 1 334.420 0.475 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001078098690 782299753 /nfs/dbraw/zinc/29/97/53/782299753.db2.gz AKPNGSZRUJZFCU-HUUCEWRRSA-N 1 1 332.404 0.182 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccc(C#N)cn1)C(=O)CCc1cnc[nH]1 ZINC001125319896 732945396 /nfs/dbraw/zinc/94/53/96/732945396.db2.gz FDAWQZOPXFZAGR-OAHLLOKOSA-N 1 1 342.403 0.565 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C[C@@H](C)N2CCCC2=O)CC1 ZINC001098530591 733022880 /nfs/dbraw/zinc/02/28/80/733022880.db2.gz DPGCFQBAXIYLDN-OAHLLOKOSA-N 1 1 335.448 0.306 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001098532756 733051344 /nfs/dbraw/zinc/05/13/44/733051344.db2.gz CUXALYIXCQJTJO-CYBMUJFWSA-N 1 1 333.436 0.381 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC001098532756 733051334 /nfs/dbraw/zinc/05/13/34/733051334.db2.gz CUXALYIXCQJTJO-CYBMUJFWSA-N 1 1 333.436 0.381 20 30 ECEDMO C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001098532756 733051338 /nfs/dbraw/zinc/05/13/38/733051338.db2.gz CUXALYIXCQJTJO-CYBMUJFWSA-N 1 1 333.436 0.381 20 30 ECEDMO C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001098532756 733051346 /nfs/dbraw/zinc/05/13/46/733051346.db2.gz CUXALYIXCQJTJO-CYBMUJFWSA-N 1 1 333.436 0.381 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001098532756 733051350 /nfs/dbraw/zinc/05/13/50/733051350.db2.gz CUXALYIXCQJTJO-CYBMUJFWSA-N 1 1 333.436 0.381 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC001041840229 782319489 /nfs/dbraw/zinc/31/94/89/782319489.db2.gz WJMZCOVVTCBVJL-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c1 ZINC001125370597 733178493 /nfs/dbraw/zinc/17/84/93/733178493.db2.gz PWIXXMFMPCSYKG-LBPRGKRZSA-N 1 1 343.391 0.034 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC001041844082 782326862 /nfs/dbraw/zinc/32/68/62/782326862.db2.gz ZXNOZFXQYSNSIY-MAUKXSAKSA-N 1 1 327.432 0.788 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970263879 733272601 /nfs/dbraw/zinc/27/26/01/733272601.db2.gz GKUYRTMASZLCRA-QMTHXVAHSA-N 1 1 332.429 0.692 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2O)CC1 ZINC000970335312 733379497 /nfs/dbraw/zinc/37/94/97/733379497.db2.gz KTQUHYBDZJUPFB-SJORKVTESA-N 1 1 349.475 0.905 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNc2ccc(C#N)nc2)CC1 ZINC001067471144 733436330 /nfs/dbraw/zinc/43/63/30/733436330.db2.gz UOAFLBHADOUQSU-MRXNPFEDSA-N 1 1 343.431 0.813 20 30 ECEDMO C=CCOCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001149128575 738719710 /nfs/dbraw/zinc/71/97/10/738719710.db2.gz AYZWMYIXCPZECS-HNNXBMFYSA-N 1 1 334.420 0.808 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)noc2C)C1 ZINC001111583499 733542370 /nfs/dbraw/zinc/54/23/70/733542370.db2.gz ZMRFZFHCBZURLE-KSSFIOAISA-N 1 1 344.415 0.625 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)noc2C)C1 ZINC001111583499 733542372 /nfs/dbraw/zinc/54/23/72/733542372.db2.gz ZMRFZFHCBZURLE-KSSFIOAISA-N 1 1 344.415 0.625 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2c(OC)cc[nH]c2=O)CC1 ZINC001098537413 733604982 /nfs/dbraw/zinc/60/49/82/733604982.db2.gz ZLYLMQBRNZHLAO-UHFFFAOYSA-N 1 1 333.388 0.328 20 30 ECEDMO C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001098538191 733682225 /nfs/dbraw/zinc/68/22/25/733682225.db2.gz KRHOETDLQKGFMV-ZDUSSCGKSA-N 1 1 329.828 0.303 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001041862580 782361090 /nfs/dbraw/zinc/36/10/90/782361090.db2.gz YZYSSGFVBYXQRF-MLGOLLRUSA-N 1 1 339.823 0.716 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001041862580 782361099 /nfs/dbraw/zinc/36/10/99/782361099.db2.gz YZYSSGFVBYXQRF-MLGOLLRUSA-N 1 1 339.823 0.716 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NS(C)(=O)=O ZINC001114942372 733779240 /nfs/dbraw/zinc/77/92/40/733779240.db2.gz KRUZDCKQCMHNMK-IGQOVBAYSA-N 1 1 343.493 0.715 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3nocc3C)C2)C1=O ZINC000970703947 733849054 /nfs/dbraw/zinc/84/90/54/733849054.db2.gz AEEMEWKMYUCMKP-TZMCWYRMSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cn(CC)cn3)C2)C1=O ZINC000970751740 733911664 /nfs/dbraw/zinc/91/16/64/733911664.db2.gz JGJYJYLMTINCBP-BBRMVZONSA-N 1 1 345.447 0.740 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N(C)C3CC3)C2)cn1 ZINC000970752957 733912711 /nfs/dbraw/zinc/91/27/11/733912711.db2.gz DWTMYGIGXRUMMW-ZDUSSCGKSA-N 1 1 340.427 0.734 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970761871 733921609 /nfs/dbraw/zinc/92/16/09/733921609.db2.gz AGIMBORJRAQIKH-YGRLFVJLSA-N 1 1 332.429 0.835 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC000970766577 733924476 /nfs/dbraw/zinc/92/44/76/733924476.db2.gz MGUOSALIQPXRDN-QWHCGFSZSA-N 1 1 328.416 0.590 20 30 ECEDMO CC(C)(C)C(=O)Nc1ccc(/C=N/O)nc1-n1cnc(C[NH3+])cc1=N ZINC001167351234 733976804 /nfs/dbraw/zinc/97/68/04/733976804.db2.gz JOYONFXKCOMAEG-LXGRGLMWSA-N 1 1 343.391 0.998 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CN(CCn3cncn3)C2)CC1 ZINC000970922404 734091314 /nfs/dbraw/zinc/09/13/14/734091314.db2.gz XFVOHGBASPJXDI-OAHLLOKOSA-N 1 1 344.463 0.060 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167422033 734211236 /nfs/dbraw/zinc/21/12/36/734211236.db2.gz GYXACIRTOKHZJP-CYBMUJFWSA-N 1 1 346.435 0.104 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC#CCOC)C[C@H]32)nn1 ZINC001114957509 734216643 /nfs/dbraw/zinc/21/66/43/734216643.db2.gz UARXALOVPIIWFK-FOLVSLTJSA-N 1 1 329.404 0.164 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C1CC1 ZINC001111488899 734266431 /nfs/dbraw/zinc/26/64/31/734266431.db2.gz ZAPYXIIZEWDTEA-MIGQKNRLSA-N 1 1 335.448 0.920 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C1CC1 ZINC001111488899 734266434 /nfs/dbraw/zinc/26/64/34/734266434.db2.gz ZAPYXIIZEWDTEA-MIGQKNRLSA-N 1 1 335.448 0.920 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNc1ccc(C#N)cn1 ZINC001111584732 734269824 /nfs/dbraw/zinc/26/98/24/734269824.db2.gz LKMJOHXUFAPLFB-OAHLLOKOSA-N 1 1 331.420 0.670 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N1CCC(OC(C)(C)C)CC1 ZINC000261705382 734275373 /nfs/dbraw/zinc/27/53/73/734275373.db2.gz GQCITWFISJKHID-HNNXBMFYSA-N 1 1 337.512 0.841 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ncccc2C#N)CCO1 ZINC001104318989 734286398 /nfs/dbraw/zinc/28/63/98/734286398.db2.gz XWPNRZYKCHGIKJ-OAHLLOKOSA-N 1 1 331.420 0.615 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104318912 734286829 /nfs/dbraw/zinc/28/68/29/734286829.db2.gz VSOKGZGKDXFWKY-AWEZNQCLSA-N 1 1 332.408 0.010 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(c3nccnc3C#N)CCO2)C1 ZINC001104321678 734296712 /nfs/dbraw/zinc/29/67/12/734296712.db2.gz LPVIZVVJCKZAIN-UONOGXRCSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(c3ccc(C#N)nc3)CCO2)C1 ZINC001104322146 734299480 /nfs/dbraw/zinc/29/94/80/734299480.db2.gz WKMJUULAIYZOEB-PBHICJAKSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CCO1 ZINC001104330366 734370046 /nfs/dbraw/zinc/37/00/46/734370046.db2.gz NOZGHEWBALUBJB-UKRRQHHQSA-N 1 1 332.404 0.453 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239796 734382223 /nfs/dbraw/zinc/38/22/23/734382223.db2.gz SUVKYHJJNBGDDN-CQSZACIVSA-N 1 1 330.388 0.475 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239796 734382224 /nfs/dbraw/zinc/38/22/24/734382224.db2.gz SUVKYHJJNBGDDN-CQSZACIVSA-N 1 1 330.388 0.475 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNc2ccc(C#N)nc2)C1 ZINC001111489301 734411734 /nfs/dbraw/zinc/41/17/34/734411734.db2.gz SAGHGGFBWPVGDH-CQSZACIVSA-N 1 1 331.420 0.528 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973141058 738818585 /nfs/dbraw/zinc/81/85/85/738818585.db2.gz FYZRMJQDMJUEQQ-FMKGYKFTSA-N 1 1 329.404 0.461 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3ccc(C#N)nc3)CCO2)C1 ZINC001104350553 734527974 /nfs/dbraw/zinc/52/79/74/734527974.db2.gz ZKXODRREVWMNBF-WMLDXEAASA-N 1 1 343.431 0.616 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001039381924 734550056 /nfs/dbraw/zinc/55/00/56/734550056.db2.gz NHMAYJSUBBRJON-ZNMIVQPWSA-N 1 1 331.416 0.613 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@H]2O)C1 ZINC001078175058 782431373 /nfs/dbraw/zinc/43/13/73/782431373.db2.gz VKTHOUJJVQEJCH-KBRIMQKVSA-N 1 1 346.406 0.310 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)N3CCOCC3)CC2)C1 ZINC000949536602 734696802 /nfs/dbraw/zinc/69/68/02/734696802.db2.gz BRVVIEQPQYSJTP-KRWDZBQOSA-N 1 1 349.475 0.424 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069987007 790281793 /nfs/dbraw/zinc/28/17/93/790281793.db2.gz NWPBKHXSLCIPNC-KEYYUXOJSA-N 1 1 346.435 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nnc(CC)o2)C1 ZINC000971703967 734965429 /nfs/dbraw/zinc/96/54/29/734965429.db2.gz NYKSPGBWIVLIPA-GJZGRUSLSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nnc(CC)o2)C1 ZINC000971703967 734965432 /nfs/dbraw/zinc/96/54/32/734965432.db2.gz NYKSPGBWIVLIPA-GJZGRUSLSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cn(C)nc2C)C1 ZINC000971704617 734965808 /nfs/dbraw/zinc/96/58/08/734965808.db2.gz VILJXIGFOQXBNX-ROUUACIJSA-N 1 1 343.475 0.859 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cn(C)nc2C)C1 ZINC000971704616 734965948 /nfs/dbraw/zinc/96/59/48/734965948.db2.gz VILJXIGFOQXBNX-MSOLQXFVSA-N 1 1 343.475 0.859 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CCCC2)C1 ZINC001104379232 735055432 /nfs/dbraw/zinc/05/54/32/735055432.db2.gz HOYRYXKABUTXLH-AWEZNQCLSA-N 1 1 344.419 0.520 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CCCC2)C1 ZINC001104379232 735055436 /nfs/dbraw/zinc/05/54/36/735055436.db2.gz HOYRYXKABUTXLH-AWEZNQCLSA-N 1 1 344.419 0.520 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000973182963 738875784 /nfs/dbraw/zinc/87/57/84/738875784.db2.gz KGLAKEQUQIBYNO-FMKGYKFTSA-N 1 1 329.404 0.604 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1 ZINC001098556211 735080515 /nfs/dbraw/zinc/08/05/15/735080515.db2.gz MSLKYKUWNICNRH-UHFFFAOYSA-N 1 1 337.464 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC000971863010 735269509 /nfs/dbraw/zinc/26/95/09/735269509.db2.gz WHYBGEYTNXUQDY-TWMKSMIVSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC000971863010 735269510 /nfs/dbraw/zinc/26/95/10/735269510.db2.gz WHYBGEYTNXUQDY-TWMKSMIVSA-N 1 1 345.443 0.322 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972076017 735615895 /nfs/dbraw/zinc/61/58/95/735615895.db2.gz PMPLQGJJNITOKC-JKSUJKDBSA-N 1 1 326.400 0.727 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078332 735618089 /nfs/dbraw/zinc/61/80/89/735618089.db2.gz FXKYGGUXKVCBDL-CVEARBPZSA-N 1 1 326.400 0.727 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972078334 735618156 /nfs/dbraw/zinc/61/81/56/735618156.db2.gz FXKYGGUXKVCBDL-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3csc(COC)n3)[C@H]2C1 ZINC001083243604 735699686 /nfs/dbraw/zinc/69/96/86/735699686.db2.gz KYACGLXLMGGKBN-UONOGXRCSA-N 1 1 337.445 0.930 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3csc(COC)n3)[C@H]2C1 ZINC001083243604 735699688 /nfs/dbraw/zinc/69/96/88/735699688.db2.gz KYACGLXLMGGKBN-UONOGXRCSA-N 1 1 337.445 0.930 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cnoc3)C2)C1=O ZINC000972155017 735720731 /nfs/dbraw/zinc/72/07/31/735720731.db2.gz SIIFSLIVMLJLJI-LSDHHAIUSA-N 1 1 332.404 0.537 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000972193986 735771270 /nfs/dbraw/zinc/77/12/70/735771270.db2.gz XJZZCWCNTXOZJV-HNNXBMFYSA-N 1 1 337.383 0.988 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC000972246141 735834540 /nfs/dbraw/zinc/83/45/40/735834540.db2.gz OGVGDNGZXOYMDC-GXTWGEPZSA-N 1 1 347.419 0.059 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC000972248136 735840318 /nfs/dbraw/zinc/84/03/18/735840318.db2.gz WSMWQGRUSVUEEQ-CXAGYDPISA-N 1 1 336.436 0.673 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001098566803 735859339 /nfs/dbraw/zinc/85/93/39/735859339.db2.gz PCPSRKBAMVWPGV-QGZVFWFLSA-N 1 1 337.464 0.016 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCN(C(=O)CC(N)=O)C3)C2)cc1 ZINC000972307057 735919883 /nfs/dbraw/zinc/91/98/83/735919883.db2.gz CAKQXXDHIGVCOE-GOSISDBHSA-N 1 1 342.399 0.237 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCN(C(=O)CC(N)=O)C3)C2)cc1 ZINC000972307057 735919885 /nfs/dbraw/zinc/91/98/85/735919885.db2.gz CAKQXXDHIGVCOE-GOSISDBHSA-N 1 1 342.399 0.237 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCCN(C)C3=O)[C@H]2C1 ZINC001083246725 735968547 /nfs/dbraw/zinc/96/85/47/735968547.db2.gz HDUZSCJEHQJYNH-OWCLPIDISA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCCN(C)C3=O)[C@H]2C1 ZINC001083246725 735968552 /nfs/dbraw/zinc/96/85/52/735968552.db2.gz HDUZSCJEHQJYNH-OWCLPIDISA-N 1 1 333.432 0.180 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCCN(C)C3=O)[C@H]2C1 ZINC001083246997 735978711 /nfs/dbraw/zinc/97/87/11/735978711.db2.gz VVAOXWYUFSVBPI-OWCLPIDISA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1ccc(C)o1 ZINC001114939582 736091562 /nfs/dbraw/zinc/09/15/62/736091562.db2.gz KRLJDXYSVNOQSA-SZOQZIPDSA-N 1 1 329.400 0.487 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1ccc(C)o1 ZINC001114939582 736091566 /nfs/dbraw/zinc/09/15/66/736091566.db2.gz KRLJDXYSVNOQSA-SZOQZIPDSA-N 1 1 329.400 0.487 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CN3Cc4ccccc4C3=O)[C@H]2C1 ZINC001083251115 736101938 /nfs/dbraw/zinc/10/19/38/736101938.db2.gz BPJJTISWXNHGOQ-DLBZAZTESA-N 1 1 341.411 0.740 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)CN3Cc4ccccc4C3=O)[C@H]2C1 ZINC001083251115 736101940 /nfs/dbraw/zinc/10/19/40/736101940.db2.gz BPJJTISWXNHGOQ-DLBZAZTESA-N 1 1 341.411 0.740 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972410949 736145431 /nfs/dbraw/zinc/14/54/31/736145431.db2.gz YCKNNENUXZEGRD-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972410949 736145436 /nfs/dbraw/zinc/14/54/36/736145436.db2.gz YCKNNENUXZEGRD-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)CCO2 ZINC000972416569 736154295 /nfs/dbraw/zinc/15/42/95/736154295.db2.gz JVQHDLSSOUOZHY-PKOBYXMFSA-N 1 1 331.460 0.797 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](C)OC)C[C@@H]32)nc1 ZINC001083251911 736159695 /nfs/dbraw/zinc/15/96/95/736159695.db2.gz NVXVHHIVMKECCK-XOKHGSTOSA-N 1 1 329.400 0.623 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972423304 736169579 /nfs/dbraw/zinc/16/95/79/736169579.db2.gz BTZXXLRQPPHYSU-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001078219791 782511960 /nfs/dbraw/zinc/51/19/60/782511960.db2.gz NFRHPCISMITYIR-BZUAXINKSA-N 1 1 337.464 0.905 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972424166 736171042 /nfs/dbraw/zinc/17/10/42/736171042.db2.gz GTOTYJYZTYLAQX-CRAIPNDOSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972424166 736171043 /nfs/dbraw/zinc/17/10/43/736171043.db2.gz GTOTYJYZTYLAQX-CRAIPNDOSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCn4cncc4C3)C2)C1 ZINC000972439043 736196512 /nfs/dbraw/zinc/19/65/12/736196512.db2.gz SYJPZFNYCXVJNJ-VQIMIIECSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCn4cncc4C3)C2)C1 ZINC000972439043 736196514 /nfs/dbraw/zinc/19/65/14/736196514.db2.gz SYJPZFNYCXVJNJ-VQIMIIECSA-N 1 1 342.443 0.772 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CN(CC#N)CCO2 ZINC000972444393 736211374 /nfs/dbraw/zinc/21/13/74/736211374.db2.gz RXSZMVRMARZTGV-AEFFLSMTSA-N 1 1 334.464 0.934 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC000972448567 736227515 /nfs/dbraw/zinc/22/75/15/736227515.db2.gz AINLQLDWZLNBBI-QGZVFWFLSA-N 1 1 336.436 0.281 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(C)c3)C2)C1 ZINC000972450586 736232898 /nfs/dbraw/zinc/23/28/98/736232898.db2.gz WQAFICLSLOMULY-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(C)c3)C2)C1 ZINC000972450586 736232903 /nfs/dbraw/zinc/23/29/03/736232903.db2.gz WQAFICLSLOMULY-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972452346 736234892 /nfs/dbraw/zinc/23/48/92/736234892.db2.gz BGLVYKRNMDKDHM-KRWDZBQOSA-N 1 1 332.404 0.227 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972452346 736234894 /nfs/dbraw/zinc/23/48/94/736234894.db2.gz BGLVYKRNMDKDHM-KRWDZBQOSA-N 1 1 332.404 0.227 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC000972472562 736284040 /nfs/dbraw/zinc/28/40/40/736284040.db2.gz ZKEPAKVCOZWQJX-KRWDZBQOSA-N 1 1 332.404 0.273 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001111491420 736407056 /nfs/dbraw/zinc/40/70/56/736407056.db2.gz ZMAKLLFXLYNOHP-YJNKXOJESA-N 1 1 336.436 0.324 20 30 ECEDMO C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039578887 736584492 /nfs/dbraw/zinc/58/44/92/736584492.db2.gz AUPYCRCZZTVEQI-SFHVURJKSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001023208291 736585030 /nfs/dbraw/zinc/58/50/30/736585030.db2.gz OPCQOJYLNZHURJ-IIAWOOMASA-N 1 1 346.431 0.070 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000972547504 736672327 /nfs/dbraw/zinc/67/23/27/736672327.db2.gz BOVAERPNCHWSNV-ROUUACIJSA-N 1 1 335.448 0.782 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001023344320 736716751 /nfs/dbraw/zinc/71/67/51/736716751.db2.gz LVNUCDNCLSRVKM-JKSUJKDBSA-N 1 1 342.399 0.995 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001006424353 751375085 /nfs/dbraw/zinc/37/50/85/751375085.db2.gz DVMYLYVWELDTEP-GFCCVEGCSA-N 1 1 335.857 0.353 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nncn2C)C1 ZINC001023424370 736813211 /nfs/dbraw/zinc/81/32/11/736813211.db2.gz WIYKFNNDEYZTGM-HOTGVXAUSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nncn2C)C1 ZINC001023424370 736813212 /nfs/dbraw/zinc/81/32/12/736813212.db2.gz WIYKFNNDEYZTGM-HOTGVXAUSA-N 1 1 344.463 0.241 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001023464039 736875519 /nfs/dbraw/zinc/87/55/19/736875519.db2.gz ALOFVRKBMZBWKQ-LBPRGKRZSA-N 1 1 339.417 0.392 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001023502922 736928559 /nfs/dbraw/zinc/92/85/59/736928559.db2.gz KCBSDOOWYJCZMC-ZFWWWQNUSA-N 1 1 331.420 0.770 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cnco3)C2)C1=O ZINC001023517625 736949996 /nfs/dbraw/zinc/94/99/96/736949996.db2.gz DJCQHONLZOGFSM-ZIAGYGMSSA-N 1 1 332.404 0.903 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC000972615301 737099525 /nfs/dbraw/zinc/09/95/25/737099525.db2.gz OTMIPFGDNLVLAG-GOSISDBHSA-N 1 1 346.431 0.997 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001023637473 737123525 /nfs/dbraw/zinc/12/35/25/737123525.db2.gz MLPBOFXIPRFKAP-HIFRSBDPSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001023644709 737133286 /nfs/dbraw/zinc/13/32/86/737133286.db2.gz QVIRHXZZJWOSTG-LSDHHAIUSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnccn3)C2)C1 ZINC000972624586 737137182 /nfs/dbraw/zinc/13/71/82/737137182.db2.gz QFZBNOGHXBIUDW-SFHVURJKSA-N 1 1 328.416 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnccn3)C2)C1 ZINC000972624586 737137184 /nfs/dbraw/zinc/13/71/84/737137184.db2.gz QFZBNOGHXBIUDW-SFHVURJKSA-N 1 1 328.416 0.736 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC2(CC[NH+](CC(N)=O)CC2)O1 ZINC001098579974 737156039 /nfs/dbraw/zinc/15/60/39/737156039.db2.gz AHKMHAZXLCDBKT-GFCCVEGCSA-N 1 1 345.403 0.067 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972629656 737161371 /nfs/dbraw/zinc/16/13/71/737161371.db2.gz CGCLYPHIPFQJOI-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638855 737201330 /nfs/dbraw/zinc/20/13/30/737201330.db2.gz ODDYAXSKMVPOHF-KDOFPFPSSA-N 1 1 343.431 0.236 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638855 737201332 /nfs/dbraw/zinc/20/13/32/737201332.db2.gz ODDYAXSKMVPOHF-KDOFPFPSSA-N 1 1 343.431 0.236 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 ZINC000972668930 737312551 /nfs/dbraw/zinc/31/25/51/737312551.db2.gz GGHPWPJKBCBLEV-IBGZPJMESA-N 1 1 341.411 0.726 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 ZINC000972668930 737312552 /nfs/dbraw/zinc/31/25/52/737312552.db2.gz GGHPWPJKBCBLEV-IBGZPJMESA-N 1 1 341.411 0.726 20 30 ECEDMO C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001098581916 737326415 /nfs/dbraw/zinc/32/64/15/737326415.db2.gz GFCUJVGBXNPFDR-UHFFFAOYSA-N 1 1 326.828 0.921 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689449 737387373 /nfs/dbraw/zinc/38/73/73/737387373.db2.gz YKCSKZTZFIYOOM-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689449 737387375 /nfs/dbraw/zinc/38/73/75/737387375.db2.gz YKCSKZTZFIYOOM-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cn(CC)cn3)C2)C1=O ZINC000972740783 737580376 /nfs/dbraw/zinc/58/03/76/737580376.db2.gz SUKKHVORUFSUSQ-ZBFHGGJFSA-N 1 1 345.447 0.836 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)nc1 ZINC000972754374 737595532 /nfs/dbraw/zinc/59/55/32/737595532.db2.gz XRWPBYQYIOFCBO-UKRRQHHQSA-N 1 1 340.383 0.014 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)C3=COCCO3)C(C)(C)C2)C1=O ZINC000972783518 737662330 /nfs/dbraw/zinc/66/23/30/737662330.db2.gz QRHYSMCESYRQGQ-HIFRSBDPSA-N 1 1 349.431 0.488 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)C3=COCCO3)C(C)(C)C2)C1=O ZINC000972783518 737662333 /nfs/dbraw/zinc/66/23/33/737662333.db2.gz QRHYSMCESYRQGQ-HIFRSBDPSA-N 1 1 349.431 0.488 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)NC(=O)C2CCC2)CC1 ZINC001098584421 737715580 /nfs/dbraw/zinc/71/55/80/737715580.db2.gz VJHDKSFFSUILOI-AWEZNQCLSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H](C)OC)C[C@H]21 ZINC000972834627 737758987 /nfs/dbraw/zinc/75/89/87/737758987.db2.gz CHLAUYAROWJIBP-XUWVNRHRSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H](C)OC)C[C@H]21 ZINC000972834627 737758991 /nfs/dbraw/zinc/75/89/91/737758991.db2.gz CHLAUYAROWJIBP-XUWVNRHRSA-N 1 1 333.432 0.178 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cocn3)C(C)(C)C2)C1=O ZINC000972863879 737781486 /nfs/dbraw/zinc/78/14/86/737781486.db2.gz QGHFSYOXRMXLCK-ZIAGYGMSSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cocn3)C(C)(C)C2)C1=O ZINC000972863879 737781487 /nfs/dbraw/zinc/78/14/87/737781487.db2.gz QGHFSYOXRMXLCK-ZIAGYGMSSA-N 1 1 332.404 0.902 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001024157228 737788235 /nfs/dbraw/zinc/78/82/35/737788235.db2.gz JIQCSPVRFQEJIO-MGPQQGTHSA-N 1 1 346.431 0.661 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H](n2ccnn2)C1 ZINC001069994987 790290616 /nfs/dbraw/zinc/29/06/16/790290616.db2.gz BUUVCARMRDONON-CVEARBPZSA-N 1 1 342.403 0.913 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnsn2)C1=O ZINC001024342621 737909634 /nfs/dbraw/zinc/90/96/34/737909634.db2.gz YOWZYPKLXRSJPO-OCCSQVGLSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnsn2)C1=O ZINC001024342621 737909636 /nfs/dbraw/zinc/90/96/36/737909636.db2.gz YOWZYPKLXRSJPO-OCCSQVGLSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(N)=O)cc3)[C@H]2C1 ZINC001083266301 737920685 /nfs/dbraw/zinc/92/06/85/737920685.db2.gz QOXOZIRTRYCIFO-LSDHHAIUSA-N 1 1 330.388 0.888 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(N)=O)cc3)[C@H]2C1 ZINC001083266301 737920687 /nfs/dbraw/zinc/92/06/87/737920687.db2.gz QOXOZIRTRYCIFO-LSDHHAIUSA-N 1 1 330.388 0.888 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001024438726 737974735 /nfs/dbraw/zinc/97/47/35/737974735.db2.gz VMPJZQUPNRNLDU-LSDHHAIUSA-N 1 1 343.431 0.757 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cncn1C ZINC001024488357 738015899 /nfs/dbraw/zinc/01/58/99/738015899.db2.gz XTGNARQERBXKKY-WMZOPIPTSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cncn1C ZINC001024488357 738015902 /nfs/dbraw/zinc/01/59/02/738015902.db2.gz XTGNARQERBXKKY-WMZOPIPTSA-N 1 1 343.475 0.988 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087287455 738118536 /nfs/dbraw/zinc/11/85/36/738118536.db2.gz IBXCHDZIPGOHNL-ILXRZTDVSA-N 1 1 338.473 0.660 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087287455 738118539 /nfs/dbraw/zinc/11/85/39/738118539.db2.gz IBXCHDZIPGOHNL-ILXRZTDVSA-N 1 1 338.473 0.660 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@H]21 ZINC001087292380 738133240 /nfs/dbraw/zinc/13/32/40/738133240.db2.gz KHGWXUVLNSXOGR-BMFZPTHFSA-N 1 1 345.447 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001087305364 738198208 /nfs/dbraw/zinc/19/82/08/738198208.db2.gz RODBGJDPABQSQN-BYCMXARLSA-N 1 1 328.416 0.966 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001024650773 738199814 /nfs/dbraw/zinc/19/98/14/738199814.db2.gz LKSKAXLAXLLXTR-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001024650773 738199816 /nfs/dbraw/zinc/19/98/16/738199816.db2.gz LKSKAXLAXLLXTR-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001024663808 738209062 /nfs/dbraw/zinc/20/90/62/738209062.db2.gz MDIHTGMPSPFEQN-GJZGRUSLSA-N 1 1 330.436 0.620 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1nc(C)n(C)c1=O ZINC001087316884 738272983 /nfs/dbraw/zinc/27/29/83/738272983.db2.gz YWPLJNTUIFNADU-VNQPRFMTSA-N 1 1 347.463 0.681 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001024758808 738274122 /nfs/dbraw/zinc/27/41/22/738274122.db2.gz ZEJOUMXFEJPVIJ-LLVKDONJSA-N 1 1 334.376 0.504 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 ZINC001025246334 738920489 /nfs/dbraw/zinc/92/04/89/738920489.db2.gz VTIBSBRVHXXZST-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001112006038 739251191 /nfs/dbraw/zinc/25/11/91/739251191.db2.gz DAVVTQAXYCRWKM-BXWFABGCSA-N 1 1 347.459 0.475 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+]([C@H]2CCN(CC)C2=O)CC1 ZINC000981994978 751433496 /nfs/dbraw/zinc/43/34/96/751433496.db2.gz YDTUNQIAVYIJEK-PMPSAXMXSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+]([C@H]2CCN(CC)C2=O)CC1 ZINC000981994978 751433500 /nfs/dbraw/zinc/43/35/00/751433500.db2.gz YDTUNQIAVYIJEK-PMPSAXMXSA-N 1 1 335.448 0.733 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001025380740 739311893 /nfs/dbraw/zinc/31/18/93/739311893.db2.gz JMQLZJFOVPPIIR-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001025388181 739348386 /nfs/dbraw/zinc/34/83/86/739348386.db2.gz FFOWHWOCXNGKTO-QWHCGFSZSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001028196351 751447011 /nfs/dbraw/zinc/44/70/11/751447011.db2.gz JIGYTCWUFVPCSI-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001025454169 739547528 /nfs/dbraw/zinc/54/75/28/739547528.db2.gz WQNZBCNYRNCLAI-KBPBESRZSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001025458227 739571756 /nfs/dbraw/zinc/57/17/56/739571756.db2.gz HFPYRZMSNUPONZ-STQMWFEESA-N 1 1 332.404 0.957 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001025460215 739575784 /nfs/dbraw/zinc/57/57/84/739575784.db2.gz XUQAUTYIZFDNCT-VXGBXAGGSA-N 1 1 339.417 0.391 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000973614165 739585658 /nfs/dbraw/zinc/58/56/58/739585658.db2.gz ICQSDEAEYBZZRM-MGNMYUMUSA-N 1 1 329.444 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001025467701 739609542 /nfs/dbraw/zinc/60/95/42/739609542.db2.gz CHJKWCLGJNODTQ-NWDGAFQWSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001025481837 739641484 /nfs/dbraw/zinc/64/14/84/739641484.db2.gz XHPMENSGWHSAJX-OWCLPIDISA-N 1 1 345.443 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001025481837 739641486 /nfs/dbraw/zinc/64/14/86/739641486.db2.gz XHPMENSGWHSAJX-OWCLPIDISA-N 1 1 345.443 0.128 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001025500578 739660645 /nfs/dbraw/zinc/66/06/45/739660645.db2.gz UKYPEIDDZQYMRH-AAEUAGOBSA-N 1 1 344.423 0.710 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC(=O)NC)C2)nc1 ZINC001025598293 739763246 /nfs/dbraw/zinc/76/32/46/739763246.db2.gz XZEATLDEECRCJH-ZFWWWQNUSA-N 1 1 328.416 0.639 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025618268 739780973 /nfs/dbraw/zinc/78/09/73/739780973.db2.gz KGOIYLUBIRCBKG-QWHCGFSZSA-N 1 1 332.404 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c(OC)ncnc2OC)C1 ZINC001025636640 739804739 /nfs/dbraw/zinc/80/47/39/739804739.db2.gz AUCJZUDEGNLWTF-STQMWFEESA-N 1 1 332.404 0.957 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cccn2)C1=O ZINC001025688171 739865412 /nfs/dbraw/zinc/86/54/12/739865412.db2.gz PUJKMFJPNIFFOI-OWYFMNJBSA-N 1 1 343.431 0.277 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001025705276 739882266 /nfs/dbraw/zinc/88/22/66/739882266.db2.gz KXLMCHBPIMNRNQ-DMRKSPOLSA-N 1 1 339.395 0.914 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCOC2)C1=O ZINC001025716693 739890911 /nfs/dbraw/zinc/89/09/11/739890911.db2.gz XHBHXCREPBBURA-KSXIZUIISA-N 1 1 333.432 0.246 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N ZINC001058659253 739913073 /nfs/dbraw/zinc/91/30/73/739913073.db2.gz VWQGGVOWHSZBEL-LSDHHAIUSA-N 1 1 338.452 0.346 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC2(F)F)C1=O ZINC001025771744 739935198 /nfs/dbraw/zinc/93/51/98/739935198.db2.gz AZHLRBPMIXECBW-MLGHIDQZSA-N 1 1 325.359 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)C1=O ZINC001006540599 751496533 /nfs/dbraw/zinc/49/65/33/751496533.db2.gz BLYMVCHQGQSGST-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)C1=O ZINC001006540599 751496535 /nfs/dbraw/zinc/49/65/35/751496535.db2.gz BLYMVCHQGQSGST-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C2)nn1 ZINC001098605422 740289866 /nfs/dbraw/zinc/28/98/66/740289866.db2.gz ZCBOAEKCDVYMJW-IUODEOHRSA-N 1 1 334.424 0.242 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001026096565 740375044 /nfs/dbraw/zinc/37/50/44/740375044.db2.gz WNSWFUQZPBMGRW-PFHJDOJBSA-N 1 1 347.459 0.635 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC(C(=O)N(C)C)CC1 ZINC001026139421 740408503 /nfs/dbraw/zinc/40/85/03/740408503.db2.gz WKPZFBIVIATNQI-NDQLQDMOSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)S(C)(=O)=O)C2)C1 ZINC000982048448 751549406 /nfs/dbraw/zinc/54/94/06/751549406.db2.gz MCCYEHYAWFMFNR-UHFFFAOYSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)S(C)(=O)=O)C2)C1 ZINC000982048448 751549407 /nfs/dbraw/zinc/54/94/07/751549407.db2.gz MCCYEHYAWFMFNR-UHFFFAOYSA-N 1 1 326.462 0.757 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(OCC)cn3)[C@H]2C1 ZINC001083292251 740555738 /nfs/dbraw/zinc/55/57/38/740555738.db2.gz WWVLOIYEIGQONY-LSDHHAIUSA-N 1 1 332.404 0.977 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(OCC)cn3)[C@H]2C1 ZINC001083292251 740555740 /nfs/dbraw/zinc/55/57/40/740555740.db2.gz WWVLOIYEIGQONY-LSDHHAIUSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1C(F)(F)F ZINC001112056767 740714732 /nfs/dbraw/zinc/71/47/32/740714732.db2.gz NWLYSCQIYFEIDX-HBNTYKKESA-N 1 1 337.342 0.302 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccnc(C#N)n1 ZINC001104854135 740723295 /nfs/dbraw/zinc/72/32/95/740723295.db2.gz AIAGDKAKBCLKFW-KGLIPLIRSA-N 1 1 330.436 0.903 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC000982080913 751575186 /nfs/dbraw/zinc/57/51/86/751575186.db2.gz VTFSXNDRZLAZDA-UHFFFAOYSA-N 1 1 330.388 0.296 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2csnc2C)C1 ZINC000974051741 740844610 /nfs/dbraw/zinc/84/46/10/740844610.db2.gz RHCCIINOZNDQQW-GUTXKFCHSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2csnc2C)C1 ZINC000974051741 740844613 /nfs/dbraw/zinc/84/46/13/740844613.db2.gz RHCCIINOZNDQQW-GUTXKFCHSA-N 1 1 346.456 0.926 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nc1 ZINC001059856990 751602537 /nfs/dbraw/zinc/60/25/37/751602537.db2.gz HRVTVJWWJDRJLX-QKPAOTATSA-N 1 1 341.415 0.876 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC000982116115 751608371 /nfs/dbraw/zinc/60/83/71/751608371.db2.gz GTPNMRCXWYWSPT-UHFFFAOYSA-N 1 1 332.360 0.068 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C ZINC001105014348 741167810 /nfs/dbraw/zinc/16/78/10/741167810.db2.gz LFOVTHZITNGUEC-IXDOHACOSA-N 1 1 348.491 0.294 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccsn2)C1 ZINC000974250023 741173030 /nfs/dbraw/zinc/17/30/30/741173030.db2.gz CEPLBTDSKDYLLB-SCRDCRAPSA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccsn2)C1 ZINC000974250023 741173032 /nfs/dbraw/zinc/17/30/32/741173032.db2.gz CEPLBTDSKDYLLB-SCRDCRAPSA-N 1 1 332.429 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2ccco2)C1 ZINC000974266186 741199303 /nfs/dbraw/zinc/19/93/03/741199303.db2.gz ZTOVDZFJZHEPOF-LZWOXQAQSA-N 1 1 329.400 0.683 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2ccco2)C1 ZINC000974266186 741199305 /nfs/dbraw/zinc/19/93/05/741199305.db2.gz ZTOVDZFJZHEPOF-LZWOXQAQSA-N 1 1 329.400 0.683 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001078236342 782537470 /nfs/dbraw/zinc/53/74/70/782537470.db2.gz FXEXBOJRUBAIRW-ZIAGYGMSSA-N 1 1 327.388 0.823 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001078236342 782537478 /nfs/dbraw/zinc/53/74/78/782537478.db2.gz FXEXBOJRUBAIRW-ZIAGYGMSSA-N 1 1 327.388 0.823 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001006645667 751616321 /nfs/dbraw/zinc/61/63/21/751616321.db2.gz QVMGNLSUJKRRSW-JKSUJKDBSA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001006645667 751616324 /nfs/dbraw/zinc/61/63/24/751616324.db2.gz QVMGNLSUJKRRSW-JKSUJKDBSA-N 1 1 344.415 0.301 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000974289800 741249206 /nfs/dbraw/zinc/24/92/06/741249206.db2.gz JRQUKPCLENORBJ-LEOABGAYSA-N 1 1 335.448 0.825 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001078236342 782537486 /nfs/dbraw/zinc/53/74/86/782537486.db2.gz FXEXBOJRUBAIRW-ZIAGYGMSSA-N 1 1 327.388 0.823 20 30 ECEDMO CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001105216351 741488473 /nfs/dbraw/zinc/48/84/73/741488473.db2.gz SORDDYZCBYIXBT-UHFFFAOYSA-N 1 1 343.391 0.301 20 30 ECEDMO C#CCCCC(=O)N1CC(n2cc(C[NH2+]CCOC(C)C)nn2)C1 ZINC001105227720 741508885 /nfs/dbraw/zinc/50/88/85/741508885.db2.gz VWJSSNLGESCNLI-UHFFFAOYSA-N 1 1 333.436 0.980 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCOCC(F)F)C2)nn1 ZINC001105240498 741531399 /nfs/dbraw/zinc/53/13/99/741531399.db2.gz PJSOHJZOVFIVES-UHFFFAOYSA-N 1 1 343.378 0.999 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240454 741531513 /nfs/dbraw/zinc/53/15/13/741531513.db2.gz NQQXZSJOJPQCHX-HIFRSBDPSA-N 1 1 343.435 0.149 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243512 741542178 /nfs/dbraw/zinc/54/21/78/741542178.db2.gz BHGMAHMHPOKXTO-CZUORRHYSA-N 1 1 330.436 0.115 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243512 741542180 /nfs/dbraw/zinc/54/21/80/741542180.db2.gz BHGMAHMHPOKXTO-CZUORRHYSA-N 1 1 330.436 0.115 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H](Nc1ccnc(C#N)n1)C(C)C ZINC001105246083 741546262 /nfs/dbraw/zinc/54/62/62/741546262.db2.gz FDQOIBIYRXXIAT-CYBMUJFWSA-N 1 1 327.392 0.528 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3Cl)C2)nn1 ZINC001105268375 741610117 /nfs/dbraw/zinc/61/01/17/741610117.db2.gz LMMGXKUOMHIFQX-UHFFFAOYSA-N 1 1 335.799 0.638 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(Cl)n3C)C2)nn1 ZINC001105283420 741641142 /nfs/dbraw/zinc/64/11/42/741641142.db2.gz MPMBFJJNRMWQCS-UHFFFAOYSA-N 1 1 335.799 0.638 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105285261 741644957 /nfs/dbraw/zinc/64/49/57/741644957.db2.gz KCTJHHGCZMDOTI-LEOABGAYSA-N 1 1 329.404 0.360 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](OC)[C@H]3CCOC3)C2)nn1 ZINC001105292377 741656385 /nfs/dbraw/zinc/65/63/85/741656385.db2.gz MIGRKIHXMLSUFF-XJKSGUPXSA-N 1 1 349.435 0.379 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312570 741730496 /nfs/dbraw/zinc/73/04/96/741730496.db2.gz SGTMHJYYQUPMNU-GJZGRUSLSA-N 1 1 344.463 0.505 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)COc3ccc(C(N)=O)cc3)C2)C1 ZINC000982155382 751662863 /nfs/dbraw/zinc/66/28/63/751662863.db2.gz VSLMMFQHZLUZNA-UHFFFAOYSA-N 1 1 341.411 0.722 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000982167210 751670559 /nfs/dbraw/zinc/67/05/59/751670559.db2.gz DQHKUHJLFDVMBN-UHFFFAOYSA-N 1 1 326.400 0.742 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C3(CF)CCOCC3)C2)nn1 ZINC001105326933 741805216 /nfs/dbraw/zinc/80/52/16/741805216.db2.gz MEWIWZFATIAORE-UHFFFAOYSA-N 1 1 337.399 0.703 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000982177105 751677617 /nfs/dbraw/zinc/67/76/17/751677617.db2.gz DMLRYEKZJRFYIL-UHFFFAOYSA-N 1 1 326.400 0.742 20 30 ECEDMO C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974578512 741911013 /nfs/dbraw/zinc/91/10/13/741911013.db2.gz PWCDAZKFZGKBPN-OCCSQVGLSA-N 1 1 331.420 0.775 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C(C)(C)C1 ZINC000974623526 741949041 /nfs/dbraw/zinc/94/90/41/741949041.db2.gz RWWWJDLZXZBTSA-CYBMUJFWSA-N 1 1 332.452 0.821 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974639617 741960485 /nfs/dbraw/zinc/96/04/85/741960485.db2.gz ITIXGDGUUGZQRI-CABCVRRESA-N 1 1 335.448 0.331 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974640649 741961106 /nfs/dbraw/zinc/96/11/06/741961106.db2.gz JLDDLJGDNUZGTC-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C(C)(C)C1 ZINC000974754135 742149231 /nfs/dbraw/zinc/14/92/31/742149231.db2.gz NZWJKPNXBCBPMH-CQSZACIVSA-N 1 1 338.473 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C(C)(C)C1 ZINC000974754135 742149233 /nfs/dbraw/zinc/14/92/33/742149233.db2.gz NZWJKPNXBCBPMH-CQSZACIVSA-N 1 1 338.473 0.661 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cn3ccnn3)o2)C(C)(C)C1 ZINC000974855691 742264681 /nfs/dbraw/zinc/26/46/81/742264681.db2.gz PBRCIESZCFRTJG-OAHLLOKOSA-N 1 1 327.388 0.993 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cn3ccnn3)o2)C(C)(C)C1 ZINC000974855691 742264685 /nfs/dbraw/zinc/26/46/85/742264685.db2.gz PBRCIESZCFRTJG-OAHLLOKOSA-N 1 1 327.388 0.993 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001114945659 742277888 /nfs/dbraw/zinc/27/78/88/742277888.db2.gz SLGIXTNEGUUIPW-UOIKSKOESA-N 1 1 344.390 0.722 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001114945659 742277892 /nfs/dbraw/zinc/27/78/92/742277892.db2.gz SLGIXTNEGUUIPW-UOIKSKOESA-N 1 1 344.390 0.722 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000974871229 742284855 /nfs/dbraw/zinc/28/48/55/742284855.db2.gz KEQBTAXHQZYIRP-STQMWFEESA-N 1 1 329.391 0.412 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000974891435 742296970 /nfs/dbraw/zinc/29/69/70/742296970.db2.gz KMBGYIPJOOIITP-LBPRGKRZSA-N 1 1 342.407 0.157 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000974891435 742296976 /nfs/dbraw/zinc/29/69/76/742296976.db2.gz KMBGYIPJOOIITP-LBPRGKRZSA-N 1 1 342.407 0.157 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3c[nH]nc3C)C(C)(C)C2)C1=O ZINC000974889258 742308798 /nfs/dbraw/zinc/30/87/98/742308798.db2.gz GNUJKRZAWAEEQR-CABCVRRESA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3c[nH]nc3C)C(C)(C)C2)C1=O ZINC000974889258 742308804 /nfs/dbraw/zinc/30/88/04/742308804.db2.gz GNUJKRZAWAEEQR-CABCVRRESA-N 1 1 345.447 0.945 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000975060355 742466929 /nfs/dbraw/zinc/46/69/29/742466929.db2.gz ACPIGUKTCQMGJQ-UONOGXRCSA-N 1 1 330.436 0.476 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000975114164 742511361 /nfs/dbraw/zinc/51/13/61/742511361.db2.gz OGIRQXJRSILHAL-CQSZACIVSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000975114164 742511363 /nfs/dbraw/zinc/51/13/63/742511363.db2.gz OGIRQXJRSILHAL-CQSZACIVSA-N 1 1 326.462 0.661 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000975185906 742598328 /nfs/dbraw/zinc/59/83/28/742598328.db2.gz NJMRUAXGFHTWAJ-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000975214444 742611051 /nfs/dbraw/zinc/61/10/51/742611051.db2.gz AUNDGGISAUXYAM-DJIMGWMZSA-N 1 1 329.444 0.801 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000975279973 742688888 /nfs/dbraw/zinc/68/88/88/742688888.db2.gz JFIKXGMPBGGENJ-HIFRSBDPSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001028937014 742922008 /nfs/dbraw/zinc/92/20/08/742922008.db2.gz LMLVMTJRDMMULS-UKRRQHHQSA-N 1 1 344.415 0.409 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001028958752 742992730 /nfs/dbraw/zinc/99/27/30/742992730.db2.gz LZTIPYZEGVOUTQ-LBPRGKRZSA-N 1 1 325.372 0.805 20 30 ECEDMO N#Cc1cc(C(=O)NCC[NH2+]Cc2cn(-c3ccccc3)nn2)c[nH]1 ZINC001125994836 743135819 /nfs/dbraw/zinc/13/58/19/743135819.db2.gz MIOXDJPSGCKWES-UHFFFAOYSA-N 1 1 335.371 0.987 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997051840 743171997 /nfs/dbraw/zinc/17/19/97/743171997.db2.gz VMLLZBHPQUMHFN-BTUGKURYSA-N 1 1 347.459 0.779 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cn(CC)nn2)C1=O ZINC001028231968 751802789 /nfs/dbraw/zinc/80/27/89/751802789.db2.gz ZSEJDXPVQCVBJD-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cn(CC)nn2)C1=O ZINC001028231968 751802795 /nfs/dbraw/zinc/80/27/95/751802795.db2.gz ZSEJDXPVQCVBJD-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CNCc3ccon3)C2)CC1 ZINC001027234213 743247460 /nfs/dbraw/zinc/24/74/60/743247460.db2.gz RLYQJCSTGASICF-HNNXBMFYSA-N 1 1 330.432 0.958 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000997251438 743409069 /nfs/dbraw/zinc/40/90/69/743409069.db2.gz ZPLUAXHTFFYAES-MRXNPFEDSA-N 1 1 325.412 0.489 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)C3=COCCO3)C2)C1=O ZINC001027282988 743437806 /nfs/dbraw/zinc/43/78/06/743437806.db2.gz DJUQOQUDRBMHQR-LSDHHAIUSA-N 1 1 349.431 0.584 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000997302458 743464644 /nfs/dbraw/zinc/46/46/44/743464644.db2.gz YQPWSGIZNFANFI-KWCYVHTRSA-N 1 1 343.855 0.989 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000997331133 743497177 /nfs/dbraw/zinc/49/71/77/743497177.db2.gz IIBUIXJXEHGHMJ-OAHLLOKOSA-N 1 1 325.412 0.950 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000997335157 743501960 /nfs/dbraw/zinc/50/19/60/743501960.db2.gz YQYVXSMCABTPOP-PWSUYJOCSA-N 1 1 342.827 0.554 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccco1 ZINC000976068261 743517582 /nfs/dbraw/zinc/51/75/82/743517582.db2.gz AHDZVLOGQKHCNL-KNCOVGOOSA-N 1 1 327.384 0.564 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccco1 ZINC000976068261 743517585 /nfs/dbraw/zinc/51/75/85/743517585.db2.gz AHDZVLOGQKHCNL-KNCOVGOOSA-N 1 1 327.384 0.564 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(OC)ccn2)C1 ZINC000997357359 743528973 /nfs/dbraw/zinc/52/89/73/743528973.db2.gz GCWHAPKFMHMLTG-INIZCTEOSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(OC)ccn2)C1 ZINC000997357359 743528979 /nfs/dbraw/zinc/52/89/79/743528979.db2.gz GCWHAPKFMHMLTG-INIZCTEOSA-N 1 1 342.399 0.128 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnn(C)n1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001029075780 743544650 /nfs/dbraw/zinc/54/46/50/743544650.db2.gz JUPSHXRNJRJZSA-LLVKDONJSA-N 1 1 342.407 0.440 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnn(C)n1)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001029083780 743599648 /nfs/dbraw/zinc/59/96/48/743599648.db2.gz DJBLUGSQYKNOOK-LLVKDONJSA-N 1 1 342.407 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc[nH]1 ZINC000976165562 743640948 /nfs/dbraw/zinc/64/09/48/743640948.db2.gz SYFPCJIBJFWYGJ-LQKXBSAESA-N 1 1 326.400 0.299 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc[nH]1 ZINC000976165562 743640952 /nfs/dbraw/zinc/64/09/52/743640952.db2.gz SYFPCJIBJFWYGJ-LQKXBSAESA-N 1 1 326.400 0.299 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ccnn3C)C2)C1=O ZINC001027326826 743743536 /nfs/dbraw/zinc/74/35/36/743743536.db2.gz CCGTZDUVARQTSN-GJZGRUSLSA-N 1 1 345.447 0.743 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000976287551 743789406 /nfs/dbraw/zinc/78/94/06/743789406.db2.gz ULMIXZZGFJNBCP-QSJFSLAZSA-N 1 1 342.443 0.955 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)OC ZINC000997769931 743800169 /nfs/dbraw/zinc/80/01/69/743800169.db2.gz RYZVZZXDBCPSRD-OWYFMNJBSA-N 1 1 333.432 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)OC ZINC000997769931 743800173 /nfs/dbraw/zinc/80/01/73/743800173.db2.gz RYZVZZXDBCPSRD-OWYFMNJBSA-N 1 1 333.432 0.367 20 30 ECEDMO C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC000982283089 751862741 /nfs/dbraw/zinc/86/27/41/751862741.db2.gz MRYGQSHRNNYEDC-CIRFHOKZSA-N 1 1 332.448 0.544 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)[C@H]1C ZINC001020596754 751874571 /nfs/dbraw/zinc/87/45/71/751874571.db2.gz IBYVVDCDWCWIKM-XAJHFOFHSA-N 1 1 347.459 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)[C@H]1C ZINC001020596754 751874585 /nfs/dbraw/zinc/87/45/85/751874585.db2.gz IBYVVDCDWCWIKM-XAJHFOFHSA-N 1 1 347.459 0.615 20 30 ECEDMO C[N@H+]([C@@H]1CCC(=O)NC1=O)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027371505 744015595 /nfs/dbraw/zinc/01/55/95/744015595.db2.gz DAIZYRXMZJWUQE-GXTWGEPZSA-N 1 1 343.387 0.228 20 30 ECEDMO C#Cc1ccc(C(=O)N(CC)[C@@H]2CCC[N@H+](CC(N)=O)CC2)nc1 ZINC000998177819 744031548 /nfs/dbraw/zinc/03/15/48/744031548.db2.gz WJDPYNJDLREEFB-OAHLLOKOSA-N 1 1 328.416 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC(N)=O)CC2)nc1 ZINC000998177819 744031550 /nfs/dbraw/zinc/03/15/50/744031550.db2.gz WJDPYNJDLREEFB-OAHLLOKOSA-N 1 1 328.416 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC000976534829 744060305 /nfs/dbraw/zinc/06/03/05/744060305.db2.gz CHWUOKLUGKELET-SIXLDLHFSA-N 1 1 338.411 0.201 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000976541073 744082228 /nfs/dbraw/zinc/08/22/28/744082228.db2.gz PXWAVNTUDSLNJJ-QMCVQRASSA-N 1 1 338.411 0.201 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)CC[N@H+]1C ZINC000976595623 744120872 /nfs/dbraw/zinc/12/08/72/744120872.db2.gz NZRUTLLJFBVDRV-UYLCMAPUSA-N 1 1 341.415 0.413 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001058773389 744199271 /nfs/dbraw/zinc/19/92/71/744199271.db2.gz GZBRYGWFLZJSMU-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C2CC2)C1 ZINC001006852591 751903000 /nfs/dbraw/zinc/90/30/00/751903000.db2.gz PUFZDENQAMWYMH-BXWFABGCSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C2CC2)C1 ZINC001006852591 751903007 /nfs/dbraw/zinc/90/30/07/751903007.db2.gz PUFZDENQAMWYMH-BXWFABGCSA-N 1 1 329.444 0.991 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCCNc2ccc(C#N)nn2)C1 ZINC001114946845 751908262 /nfs/dbraw/zinc/90/82/62/751908262.db2.gz UYIDQNJYLGTEMX-UKRRQHHQSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCCNc2ccc(C#N)nn2)C1 ZINC001114946845 751908263 /nfs/dbraw/zinc/90/82/63/751908263.db2.gz UYIDQNJYLGTEMX-UKRRQHHQSA-N 1 1 346.435 0.766 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982299211 751910674 /nfs/dbraw/zinc/91/06/74/751910674.db2.gz ZICDIIZWZKRSLC-DOPJRALCSA-N 1 1 348.447 0.721 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]32)nc1 ZINC000976916487 744475575 /nfs/dbraw/zinc/47/55/75/744475575.db2.gz NVWASTVKVPUHJF-AIANPOQGSA-N 1 1 338.411 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]32)nc1 ZINC000976910921 744486538 /nfs/dbraw/zinc/48/65/38/744486538.db2.gz YROYMMHQDDXAEB-WTTBNOFXSA-N 1 1 338.411 0.344 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2nccn2C)C1 ZINC001027446854 744487936 /nfs/dbraw/zinc/48/79/36/744487936.db2.gz VFABSNWUVTTWDD-SJORKVTESA-N 1 1 343.475 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2nccn2C)C1 ZINC001027446854 744487940 /nfs/dbraw/zinc/48/79/40/744487940.db2.gz VFABSNWUVTTWDD-SJORKVTESA-N 1 1 343.475 0.941 20 30 ECEDMO C=C1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000999112367 744518432 /nfs/dbraw/zinc/51/84/32/744518432.db2.gz FLQGKFCETTXZQS-SJORKVTESA-N 1 1 347.459 0.923 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nncn2C)C1 ZINC000999188565 744557513 /nfs/dbraw/zinc/55/75/13/744557513.db2.gz AWQWBABQURZCBC-ZNMIVQPWSA-N 1 1 333.436 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000999285190 744600895 /nfs/dbraw/zinc/60/08/95/744600895.db2.gz ORFZGPVDHPAKEZ-QOKNQOGYSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000999285190 744600899 /nfs/dbraw/zinc/60/08/99/744600899.db2.gz ORFZGPVDHPAKEZ-QOKNQOGYSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nc(CC)no2)C1 ZINC000999393818 744672632 /nfs/dbraw/zinc/67/26/32/744672632.db2.gz YNGBCFACKKPDKE-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nc(CC)no2)C1 ZINC000999393818 744672635 /nfs/dbraw/zinc/67/26/35/744672635.db2.gz YNGBCFACKKPDKE-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC000999395849 744673931 /nfs/dbraw/zinc/67/39/31/744673931.db2.gz KRSNFZDIZUVRKN-FQMQPWHVSA-N 1 1 329.444 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC000999395849 744673933 /nfs/dbraw/zinc/67/39/33/744673933.db2.gz KRSNFZDIZUVRKN-FQMQPWHVSA-N 1 1 329.444 0.988 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@H]32)C1 ZINC000977158213 744726607 /nfs/dbraw/zinc/72/66/07/744726607.db2.gz RZYDNKWCJNEHIS-BARDWOONSA-N 1 1 333.432 0.246 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@H]32)C1 ZINC000977158213 744726609 /nfs/dbraw/zinc/72/66/09/744726609.db2.gz RZYDNKWCJNEHIS-BARDWOONSA-N 1 1 333.432 0.246 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000977198972 744775080 /nfs/dbraw/zinc/77/50/80/744775080.db2.gz KDVXEVDJOVGURO-CVGURMSBSA-N 1 1 341.415 0.557 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC)CC2(C)C)cc1 ZINC000977213727 744792603 /nfs/dbraw/zinc/79/26/03/744792603.db2.gz WTJRMPUPKOJPTP-MRXNPFEDSA-N 1 1 343.427 0.885 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)NC)CC2(C)C)cc1 ZINC000977213727 744792606 /nfs/dbraw/zinc/79/26/06/744792606.db2.gz WTJRMPUPKOJPTP-MRXNPFEDSA-N 1 1 343.427 0.885 20 30 ECEDMO C=CC[N@H+]1C[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977388939 744910363 /nfs/dbraw/zinc/91/03/63/744910363.db2.gz OKSDCAXSCNIGRG-HIFRSBDPSA-N 1 1 333.436 0.941 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977385357 744919389 /nfs/dbraw/zinc/91/93/89/744919389.db2.gz GHRGBSAWWRGQIG-HOCLYGCPSA-N 1 1 345.447 0.778 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC000999867195 744965603 /nfs/dbraw/zinc/96/56/03/744965603.db2.gz AQDSRJYBVITFMY-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)n(C)n3)C2)nn1 ZINC001105382643 744991223 /nfs/dbraw/zinc/99/12/23/744991223.db2.gz LDQQXNCASWONPQ-UHFFFAOYSA-N 1 1 343.435 0.937 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001006906537 751964117 /nfs/dbraw/zinc/96/41/17/751964117.db2.gz UDWPMGBRMHOHRJ-BMFZPTHFSA-N 1 1 346.431 0.746 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC000977474807 745068456 /nfs/dbraw/zinc/06/84/56/745068456.db2.gz BGKOWEMQENUFIV-UKRRQHHQSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC000999959073 745099828 /nfs/dbraw/zinc/09/98/28/745099828.db2.gz DHGXCFOECLQFRW-CQSZACIVSA-N 1 1 327.392 0.821 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)n[nH]3)nn2)C1 ZINC000999960174 745101379 /nfs/dbraw/zinc/10/13/79/745101379.db2.gz CJXYFNDMUQRPNM-CQSZACIVSA-N 1 1 327.392 0.510 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999961199 745103481 /nfs/dbraw/zinc/10/34/81/745103481.db2.gz IHGIIRNLPCHRIU-HOTGVXAUSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999961199 745103485 /nfs/dbraw/zinc/10/34/85/745103485.db2.gz IHGIIRNLPCHRIU-HOTGVXAUSA-N 1 1 330.436 0.259 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)C3=COCCC3)nn2)C1 ZINC000999961734 745104614 /nfs/dbraw/zinc/10/46/14/745104614.db2.gz JHAJATXBDTWKEG-INIZCTEOSA-N 1 1 329.404 0.859 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]c(C)c3C)nn2)C1 ZINC000999963854 745107679 /nfs/dbraw/zinc/10/76/79/745107679.db2.gz UEPBQZOVBKOXCP-AWEZNQCLSA-N 1 1 327.392 0.428 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cncs3)nn2)C1 ZINC000999964224 745108805 /nfs/dbraw/zinc/10/88/05/745108805.db2.gz WMNLSWVPNVSIOV-CYBMUJFWSA-N 1 1 330.417 0.935 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncoc3CC)nn2)C1 ZINC000999964244 745108887 /nfs/dbraw/zinc/10/88/87/745108887.db2.gz WXDNEPPKNKSTEL-ZDUSSCGKSA-N 1 1 328.376 0.639 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cccn3C)nn2)C1 ZINC000999964747 745109430 /nfs/dbraw/zinc/10/94/30/745109430.db2.gz DFHKWNAWSNNBCZ-HNNXBMFYSA-N 1 1 326.404 0.817 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1cc(C#N)c[nH]1 ZINC000977520657 745113679 /nfs/dbraw/zinc/11/36/79/745113679.db2.gz PXXJPQMGFCWNLT-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)n(C)n3)nn2)C1 ZINC000999969877 745115629 /nfs/dbraw/zinc/11/56/29/745115629.db2.gz ZIYWUJGIOYKVGO-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO COCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC000999976338 745125750 /nfs/dbraw/zinc/12/57/50/745125750.db2.gz UKHHJQWAPRUHDP-HNNXBMFYSA-N 1 1 343.391 0.301 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3=CCOCC3)nn2)C1 ZINC000999980871 745131733 /nfs/dbraw/zinc/13/17/33/745131733.db2.gz OLMKZVRHZTYLJN-MRXNPFEDSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccc3[O-])nn2)C1 ZINC000999981788 745133201 /nfs/dbraw/zinc/13/32/01/745133201.db2.gz WVOHNAKVDAZTPC-CYBMUJFWSA-N 1 1 326.360 0.189 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccc3O)nn2)C1 ZINC000999981788 745133207 /nfs/dbraw/zinc/13/32/07/745133207.db2.gz WVOHNAKVDAZTPC-CYBMUJFWSA-N 1 1 326.360 0.189 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncccc3[O-])nn2)C1 ZINC000999981789 745133311 /nfs/dbraw/zinc/13/33/11/745133311.db2.gz WVOHNAKVDAZTPC-ZDUSSCGKSA-N 1 1 326.360 0.189 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncccc3O)nn2)C1 ZINC000999981789 745133320 /nfs/dbraw/zinc/13/33/20/745133320.db2.gz WVOHNAKVDAZTPC-ZDUSSCGKSA-N 1 1 326.360 0.189 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nccc(C)n3)nn2)C1 ZINC000999985172 745138209 /nfs/dbraw/zinc/13/82/09/745138209.db2.gz ONXZBVLDLZFAOS-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(=O)n(C)o3)nn2)C1 ZINC000999986453 745140401 /nfs/dbraw/zinc/14/04/01/745140401.db2.gz SNFPWUOAFKYXSN-ZDUSSCGKSA-N 1 1 346.391 0.323 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999987987 745143727 /nfs/dbraw/zinc/14/37/27/745143727.db2.gz RRTZKKGABQECRK-VNQPRFMTSA-N 1 1 330.436 0.115 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999987987 745143729 /nfs/dbraw/zinc/14/37/29/745143729.db2.gz RRTZKKGABQECRK-VNQPRFMTSA-N 1 1 330.436 0.115 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CCN(CC#N)C3)nn2)CC[N@H+]1C ZINC000999988399 745144206 /nfs/dbraw/zinc/14/42/06/745144206.db2.gz USNJTPNBVJUYSO-VHDGCEQUSA-N 1 1 331.424 0.005 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C4CC4)o3)nn2)C1 ZINC000999993313 745151008 /nfs/dbraw/zinc/15/10/08/745151008.db2.gz RWKYHUAFKJJBJH-AWEZNQCLSA-N 1 1 340.387 0.954 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(F)cncc3F)nn2)C1 ZINC000999993223 745151389 /nfs/dbraw/zinc/15/13/89/745151389.db2.gz RHKCPBCKGLLLBV-LBPRGKRZSA-N 1 1 346.341 0.761 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC(=O)N3)nn2)C1 ZINC000999995234 745154584 /nfs/dbraw/zinc/15/45/84/745154584.db2.gz FMSDYWHNYICGSW-LSDHHAIUSA-N 1 1 346.435 0.386 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1 ZINC000999995772 745155512 /nfs/dbraw/zinc/15/55/12/745155512.db2.gz HRGOSSSHFYWLNC-RBSFLKMASA-N 1 1 339.403 0.301 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)nn2)C1 ZINC000999995772 745155516 /nfs/dbraw/zinc/15/55/16/745155516.db2.gz HRGOSSSHFYWLNC-RBSFLKMASA-N 1 1 339.403 0.301 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)nn2)C1 ZINC000999995772 745155521 /nfs/dbraw/zinc/15/55/21/745155521.db2.gz HRGOSSSHFYWLNC-RBSFLKMASA-N 1 1 339.403 0.301 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCNC(=O)CC3)nn2)C1 ZINC000999998925 745159974 /nfs/dbraw/zinc/15/99/74/745159974.db2.gz ACNSEEYINHFVCD-DZGCQCFKSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]nc3CCC)nn2)C1 ZINC001000002154 745165669 /nfs/dbraw/zinc/16/56/69/745165669.db2.gz HHGYCZTUGVPSQX-CQSZACIVSA-N 1 1 341.419 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(OC)ccn3)nn2)C1 ZINC001000013717 745183079 /nfs/dbraw/zinc/18/30/79/745183079.db2.gz JBLAYTPJBUAXHR-AWEZNQCLSA-N 1 1 340.387 0.492 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 ZINC001000015731 745185298 /nfs/dbraw/zinc/18/52/98/745185298.db2.gz PEKZWIJGIRPNNN-GFCCVEGCSA-N 1 1 333.371 0.893 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000020237 745191322 /nfs/dbraw/zinc/19/13/22/745191322.db2.gz LEXLUOKASMRNAX-MRXNPFEDSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(COC)on3)nn2)C1 ZINC001000031430 745206045 /nfs/dbraw/zinc/20/60/45/745206045.db2.gz OEFYORSAINJJHE-CYBMUJFWSA-N 1 1 344.375 0.223 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(C(C)C)n3)nn2)C1 ZINC001000034497 745209491 /nfs/dbraw/zinc/20/94/91/745209491.db2.gz WGJGTRXXDVSKPY-OAHLLOKOSA-N 1 1 341.419 0.866 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(OC)nc3)nn2)C1 ZINC001000035118 745210579 /nfs/dbraw/zinc/21/05/79/745210579.db2.gz KGTHVVFSSANGJS-CQSZACIVSA-N 1 1 343.391 0.440 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCN3C(C)=O)nn2)C1 ZINC001000036007 745212711 /nfs/dbraw/zinc/21/27/11/745212711.db2.gz SFERAGIIQHKUIK-HOTGVXAUSA-N 1 1 346.435 0.338 20 30 ECEDMO CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149137098 751981721 /nfs/dbraw/zinc/98/17/21/751981721.db2.gz MWYCMDQPLZRNNV-CQSZACIVSA-N 1 1 328.457 0.832 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncnc3CC)nn2)C1 ZINC001000042795 745223375 /nfs/dbraw/zinc/22/33/75/745223375.db2.gz HRAIBYLQIULCBG-CQSZACIVSA-N 1 1 339.403 0.441 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC34CCOCC4)nn2)C1 ZINC001000048015 745229062 /nfs/dbraw/zinc/22/90/62/745229062.db2.gz VCTUOBSZDCEGNT-CVEARBPZSA-N 1 1 343.431 0.591 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(C)n2)C1 ZINC001149175325 745246306 /nfs/dbraw/zinc/24/63/06/745246306.db2.gz PEOXJTDDBHYFRH-INIZCTEOSA-N 1 1 331.416 0.861 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C)n2)C1 ZINC001149175325 745246310 /nfs/dbraw/zinc/24/63/10/745246310.db2.gz PEOXJTDDBHYFRH-INIZCTEOSA-N 1 1 331.416 0.861 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)c3cnn(C)c3)C2)nn1 ZINC001105384753 745256431 /nfs/dbraw/zinc/25/64/31/745256431.db2.gz OARWSMNLASTGPO-GFCCVEGCSA-N 1 1 329.408 0.474 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CC4(O)CCC4)[C@@H]3C2)C1=O ZINC001075776552 745272051 /nfs/dbraw/zinc/27/20/51/745272051.db2.gz UKXZQGYHTGIBEO-HRCADAONSA-N 1 1 347.459 0.611 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001075780139 745317517 /nfs/dbraw/zinc/31/75/17/745317517.db2.gz DLSMERAIQDTBSG-ARFHVFGLSA-N 1 1 325.416 0.712 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3[nH]cnc3C)C(C)(C)C2)C1=O ZINC000977660454 745354062 /nfs/dbraw/zinc/35/40/62/745354062.db2.gz FYEKDHSSZQJPTQ-UONOGXRCSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3[nH]cnc3C)C(C)(C)C2)C1=O ZINC000977660454 745354066 /nfs/dbraw/zinc/35/40/66/745354066.db2.gz FYEKDHSSZQJPTQ-UONOGXRCSA-N 1 1 345.447 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cncs1 ZINC001075786738 745410226 /nfs/dbraw/zinc/41/02/26/745410226.db2.gz GQXGOVJDPPAPRG-STQMWFEESA-N 1 1 334.445 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cncs1 ZINC001075786738 745410228 /nfs/dbraw/zinc/41/02/28/745410228.db2.gz GQXGOVJDPPAPRG-STQMWFEESA-N 1 1 334.445 0.865 20 30 ECEDMO C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 ZINC001105387493 745430338 /nfs/dbraw/zinc/43/03/38/745430338.db2.gz XDCIMXLQAILGEI-MRXNPFEDSA-N 1 1 332.448 0.771 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001000389066 745468954 /nfs/dbraw/zinc/46/89/54/745468954.db2.gz ILTWGBAURVNXNQ-INIZCTEOSA-N 1 1 343.431 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001000389066 745468957 /nfs/dbraw/zinc/46/89/57/745468957.db2.gz ILTWGBAURVNXNQ-INIZCTEOSA-N 1 1 343.431 0.571 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC000983906968 745488430 /nfs/dbraw/zinc/48/84/30/745488430.db2.gz VWDKUSORVTVQDU-KKUMJFAQSA-N 1 1 331.420 0.460 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3cnon3)C2)nn1 ZINC001000427332 745491812 /nfs/dbraw/zinc/49/18/12/745491812.db2.gz LQHPLOZODMMZEN-GFCCVEGCSA-N 1 1 331.380 0.632 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000977807923 745527917 /nfs/dbraw/zinc/52/79/17/745527917.db2.gz CXHVNZPLNBIPJR-JKSUJKDBSA-N 1 1 333.432 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000977807923 745527922 /nfs/dbraw/zinc/52/79/22/745527922.db2.gz CXHVNZPLNBIPJR-JKSUJKDBSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCN1CC[C@H](N2CC=C(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001000520486 745563035 /nfs/dbraw/zinc/56/30/35/745563035.db2.gz FKZGEMBYEODQHV-IRXDYDNUSA-N 1 1 346.475 0.616 20 30 ECEDMO C=CCN1CC[C@H](N2CC=C(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001000520486 745563036 /nfs/dbraw/zinc/56/30/36/745563036.db2.gz FKZGEMBYEODQHV-IRXDYDNUSA-N 1 1 346.475 0.616 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)nn1 ZINC001098700626 745642311 /nfs/dbraw/zinc/64/23/11/745642311.db2.gz QIOZHEYYJVOZHL-BPUTZDHNSA-N 1 1 333.436 1.000 20 30 ECEDMO C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001105392101 745646644 /nfs/dbraw/zinc/64/66/44/745646644.db2.gz SJPKEDARLIINLC-DZGCQCFKSA-N 1 1 332.448 0.770 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1nccnc1C#N ZINC001126518020 745647625 /nfs/dbraw/zinc/64/76/25/745647625.db2.gz PCEAUTGOFMGJRT-CQSZACIVSA-N 1 1 346.435 0.259 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001000641510 745657201 /nfs/dbraw/zinc/65/72/01/745657201.db2.gz ZNVPSFBUUCZPTL-MRXNPFEDSA-N 1 1 340.383 0.915 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001000641510 745657203 /nfs/dbraw/zinc/65/72/03/745657203.db2.gz ZNVPSFBUUCZPTL-MRXNPFEDSA-N 1 1 340.383 0.915 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(C#N)nc1 ZINC001126518510 745663785 /nfs/dbraw/zinc/66/37/85/745663785.db2.gz YOUBBRUUUQDVHT-OAHLLOKOSA-N 1 1 345.447 0.864 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNc1nccnc1C#N ZINC001111494993 745682551 /nfs/dbraw/zinc/68/25/51/745682551.db2.gz TUESUSHPHALDFE-UHFFFAOYSA-N 1 1 334.424 0.313 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccn(C)c1 ZINC000977929079 745684210 /nfs/dbraw/zinc/68/42/10/745684210.db2.gz ONYVVFUSPIFIFA-IRXDYDNUSA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccn(C)c1 ZINC000977929079 745684214 /nfs/dbraw/zinc/68/42/14/745684214.db2.gz ONYVVFUSPIFIFA-IRXDYDNUSA-N 1 1 342.443 0.796 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1nccnc1C#N ZINC001126522963 745715763 /nfs/dbraw/zinc/71/57/63/745715763.db2.gz IFIWLQJOIVTJJD-KGLIPLIRSA-N 1 1 346.435 0.115 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000984089365 745796269 /nfs/dbraw/zinc/79/62/69/745796269.db2.gz DFCFGHRXGRKRHG-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000984089365 745796273 /nfs/dbraw/zinc/79/62/73/745796273.db2.gz DFCFGHRXGRKRHG-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCN(CC)C2=O)nc1 ZINC001028271674 752037384 /nfs/dbraw/zinc/03/73/84/752037384.db2.gz LKHIYQYQIJRRLV-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCN(CC)C2=O)nc1 ZINC001028271674 752037391 /nfs/dbraw/zinc/03/73/91/752037391.db2.gz LKHIYQYQIJRRLV-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnco1 ZINC000978066180 745849821 /nfs/dbraw/zinc/84/98/21/745849821.db2.gz KWEMYXHHXULVSM-KGLIPLIRSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnco1 ZINC000978066180 745849825 /nfs/dbraw/zinc/84/98/25/745849825.db2.gz KWEMYXHHXULVSM-KGLIPLIRSA-N 1 1 330.388 0.445 20 30 ECEDMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)c1N ZINC000978049798 745857444 /nfs/dbraw/zinc/85/74/44/745857444.db2.gz BVQANJXRUOXOMM-XGWQRUHWSA-N 1 1 349.438 0.962 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027586034 745868684 /nfs/dbraw/zinc/86/86/84/745868684.db2.gz VVITXGUNMIPMOJ-XHSDSOJGSA-N 1 1 333.436 0.792 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2ccccc2OCC(N)=O)CC1 ZINC001000918851 745898649 /nfs/dbraw/zinc/89/86/49/745898649.db2.gz UDLOROGNHHHVJO-UHFFFAOYSA-N 1 1 341.411 0.936 20 30 ECEDMO CC#CCN1CC=C(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975555 745945447 /nfs/dbraw/zinc/94/54/47/745945447.db2.gz IZKCSDDKLBAGLU-TVRKMHQQSA-N 1 1 329.444 0.621 20 30 ECEDMO CC#CCN1CC=C(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975555 745945450 /nfs/dbraw/zinc/94/54/50/745945450.db2.gz IZKCSDDKLBAGLU-TVRKMHQQSA-N 1 1 329.444 0.621 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028067 752053510 /nfs/dbraw/zinc/05/35/10/752053510.db2.gz HEPMPFVUUFFILG-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028067 752053513 /nfs/dbraw/zinc/05/35/13/752053513.db2.gz HEPMPFVUUFFILG-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028444 752053754 /nfs/dbraw/zinc/05/37/54/752053754.db2.gz IYWUCYSCCRLSES-GDBMZVCRSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028444 752053763 /nfs/dbraw/zinc/05/37/63/752053763.db2.gz IYWUCYSCCRLSES-GDBMZVCRSA-N 1 1 341.415 0.867 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)[C@@H]2C1 ZINC000978186200 746031492 /nfs/dbraw/zinc/03/14/92/746031492.db2.gz HGFKKXZIUMWKIQ-TVFCKZIOSA-N 1 1 343.471 0.952 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1 ZINC000978252006 746085658 /nfs/dbraw/zinc/08/56/58/746085658.db2.gz YXQBGPYBPKATKN-PHZGNYQRSA-N 1 1 327.384 0.092 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3n[nH]cc3F)CC2)C1=O ZINC001001122722 746093475 /nfs/dbraw/zinc/09/34/75/746093475.db2.gz FLLJCFBVAAQOSH-CQSZACIVSA-N 1 1 347.394 0.698 20 30 ECEDMO NC(=O)CC(=O)N1CC[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@H]2C1 ZINC001041986221 782551136 /nfs/dbraw/zinc/55/11/36/782551136.db2.gz OPMTTZZVIFIHEG-RDJZCZTQSA-N 1 1 343.402 0.975 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)[C@H]1CC ZINC001087646933 746144113 /nfs/dbraw/zinc/14/41/13/746144113.db2.gz AWDLALXCZKKNHB-QLFBSQMISA-N 1 1 326.462 0.804 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1CC ZINC001087659265 746162949 /nfs/dbraw/zinc/16/29/49/746162949.db2.gz XCQBSBYTCQDOPC-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)c4ccccc43)[C@@H]2C1 ZINC000978296342 746167067 /nfs/dbraw/zinc/16/70/67/746167067.db2.gz GPZYYNSPHRIHNC-LUKYLMHMSA-N 1 1 325.412 0.994 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+](CCn3cncn3)CC2)nn1 ZINC001001240232 746199155 /nfs/dbraw/zinc/19/91/55/746199155.db2.gz BFFDLGBVZKGUFZ-UHFFFAOYSA-N 1 1 342.407 0.118 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001027612382 746209504 /nfs/dbraw/zinc/20/95/04/746209504.db2.gz IDQSKFVMCMJBPS-UONOGXRCSA-N 1 1 329.466 0.519 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)[C@H]1CC ZINC001087703338 746210603 /nfs/dbraw/zinc/21/06/03/746210603.db2.gz QZVVRBUALAJLIM-OFQRWUPVSA-N 1 1 329.448 0.912 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC001001257769 746216873 /nfs/dbraw/zinc/21/68/73/746216873.db2.gz ZEBWCGYNWHBELC-BBWFWOEESA-N 1 1 347.459 0.947 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087707588 746217821 /nfs/dbraw/zinc/21/78/21/746217821.db2.gz AXIDSZWXWANXPJ-GVDBMIGSSA-N 1 1 340.427 0.689 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC001001266839 746227401 /nfs/dbraw/zinc/22/74/01/746227401.db2.gz MXCBELSSDVEXHG-UHFFFAOYSA-N 1 1 339.399 0.716 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)[C@H]1CC ZINC001087778725 746319374 /nfs/dbraw/zinc/31/93/74/746319374.db2.gz OJKCESSMIAPIBP-HLLBOEOZSA-N 1 1 345.447 0.921 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1=CC[N@@H+](CCCO)CC1 ZINC001001379398 746325384 /nfs/dbraw/zinc/32/53/84/746325384.db2.gz SAASODYXAIGTEV-UHFFFAOYSA-N 1 1 329.400 0.838 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnon3)C2)C1=O ZINC001027623845 746332443 /nfs/dbraw/zinc/33/24/43/746332443.db2.gz DGPVBBIHIZMQJU-TZMCWYRMSA-N 1 1 333.392 0.393 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC001001502774 746439459 /nfs/dbraw/zinc/43/94/59/746439459.db2.gz ZTNCCIMBVDDUCE-JSGCOSHPSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001001508538 746446774 /nfs/dbraw/zinc/44/67/74/746446774.db2.gz DQISCUMLFSSPAB-LBPRGKRZSA-N 1 1 329.404 0.416 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000978593110 746464025 /nfs/dbraw/zinc/46/40/25/746464025.db2.gz KLFIFBZYBCUUCA-GUTXKFCHSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000978593110 746464028 /nfs/dbraw/zinc/46/40/28/746464028.db2.gz KLFIFBZYBCUUCA-GUTXKFCHSA-N 1 1 329.404 0.132 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)C(F)F)C2)C1=O ZINC001087853386 746504869 /nfs/dbraw/zinc/50/48/69/746504869.db2.gz MZLFHWYRLVFVMB-CHWSQXEVSA-N 1 1 345.390 0.324 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)cn1 ZINC001027656202 746595129 /nfs/dbraw/zinc/59/51/29/746595129.db2.gz LYQQMVSTZDQHNQ-HOTGVXAUSA-N 1 1 328.416 0.863 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H]3CCNC3=O)C2)cn1 ZINC001027656564 746599168 /nfs/dbraw/zinc/59/91/68/746599168.db2.gz TULQCDVQQVZWGX-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CCn3cncn3)C2)cn1 ZINC001027656685 746599723 /nfs/dbraw/zinc/59/97/23/746599723.db2.gz XDAHBFOPIOENEJ-QGZVFWFLSA-N 1 1 338.415 0.891 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)c1 ZINC000978706217 746606830 /nfs/dbraw/zinc/60/68/30/746606830.db2.gz CEJDHBYAUBHSTD-NNZMDNLPSA-N 1 1 335.411 0.867 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC000978724388 746625224 /nfs/dbraw/zinc/62/52/24/746625224.db2.gz ZSLYGSAPICXIKH-MTSZKFMLSA-N 1 1 330.432 0.805 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978730384 746642879 /nfs/dbraw/zinc/64/28/79/746642879.db2.gz DTGSXQYKJJLILH-KCQAQPDRSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087925160 746670305 /nfs/dbraw/zinc/67/03/05/746670305.db2.gz ZSTATBDXJNBLHX-YUELXQCFSA-N 1 1 343.431 0.757 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087939016 746688462 /nfs/dbraw/zinc/68/84/62/746688462.db2.gz VYNQLWQIDFRRMK-XQQFMLRXSA-N 1 1 329.404 0.415 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)cc1 ZINC000978808589 746729974 /nfs/dbraw/zinc/72/99/74/746729974.db2.gz SXRFOMRUFDQPQA-YYQUZTFQSA-N 1 1 341.411 0.480 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087961850 746746669 /nfs/dbraw/zinc/74/66/69/746746669.db2.gz MHOSDNJPCHFFBA-BMFZPTHFSA-N 1 1 329.444 0.847 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2csc(COC)n2)C1 ZINC000958744975 752119511 /nfs/dbraw/zinc/11/95/11/752119511.db2.gz YCGPFPHOYHSFRS-AAEUAGOBSA-N 1 1 325.434 0.888 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000978836939 746783132 /nfs/dbraw/zinc/78/31/32/746783132.db2.gz FNWYWUZCUVCZKK-NCOADZHNSA-N 1 1 346.475 0.047 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC001001893477 746790564 /nfs/dbraw/zinc/79/05/64/746790564.db2.gz FISJQKKXPLQGEL-LUYZLQTOSA-N 1 1 341.415 0.842 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](N(C)[C@H](CC)C(N)=O)C2)CC1 ZINC001027693522 746857611 /nfs/dbraw/zinc/85/76/11/746857611.db2.gz DMLWERWUTGPKRC-DLBZAZTESA-N 1 1 348.491 0.518 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001001978598 746858654 /nfs/dbraw/zinc/85/86/54/746858654.db2.gz RKPIIPHMTCMVNP-HNNXBMFYSA-N 1 1 326.400 0.203 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)C(F)F ZINC001002000752 746880348 /nfs/dbraw/zinc/88/03/48/746880348.db2.gz WLZGVWIRTADZEY-OLZOCXBDSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)C(F)F ZINC001002000752 746880355 /nfs/dbraw/zinc/88/03/55/746880355.db2.gz WLZGVWIRTADZEY-OLZOCXBDSA-N 1 1 327.375 0.799 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@@H]2C1 ZINC001087985688 746896141 /nfs/dbraw/zinc/89/61/41/746896141.db2.gz ZFCIOEAMSLPTRJ-ZACQAIPSSA-N 1 1 349.475 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cccn2CC)C1 ZINC001002024133 746902528 /nfs/dbraw/zinc/90/25/28/746902528.db2.gz RXNZNAUWKYZRFC-KRWDZBQOSA-N 1 1 342.443 0.794 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cccn2CC)C1 ZINC001002024133 746902534 /nfs/dbraw/zinc/90/25/34/746902534.db2.gz RXNZNAUWKYZRFC-KRWDZBQOSA-N 1 1 342.443 0.794 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059430941 746910850 /nfs/dbraw/zinc/91/08/50/746910850.db2.gz SJXNWTAYDZJION-JOCQHMNTSA-N 1 1 339.403 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccns2)C1 ZINC000978951896 746944081 /nfs/dbraw/zinc/94/40/81/746944081.db2.gz DFIMAXVHTBHIAY-MJBXVCDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccns2)C1 ZINC000978951896 746944083 /nfs/dbraw/zinc/94/40/83/746944083.db2.gz DFIMAXVHTBHIAY-MJBXVCDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccnn2C)C1 ZINC000978952560 746945515 /nfs/dbraw/zinc/94/55/15/746945515.db2.gz JHGXFYBRQIRTOC-LZWOXQAQSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccnn2C)C1 ZINC000978952560 746945520 /nfs/dbraw/zinc/94/55/20/746945520.db2.gz JHGXFYBRQIRTOC-LZWOXQAQSA-N 1 1 343.431 0.142 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001007155103 752136236 /nfs/dbraw/zinc/13/62/36/752136236.db2.gz JCPKLASIRKKSRR-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3nonc3C)C2)C1=O ZINC001027705373 746950995 /nfs/dbraw/zinc/95/09/95/746950995.db2.gz QTZCNQYARIQQNJ-KBPBESRZSA-N 1 1 347.419 0.701 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CN3CCOCC3)C[C@@H]2C1 ZINC001088012469 747054033 /nfs/dbraw/zinc/05/40/33/747054033.db2.gz LRDROUAZXNGEBT-SJORKVTESA-N 1 1 333.476 0.758 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CN3CCOCC3)C[C@@H]2C1 ZINC001088012469 747054037 /nfs/dbraw/zinc/05/40/37/747054037.db2.gz LRDROUAZXNGEBT-SJORKVTESA-N 1 1 333.476 0.758 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001002194958 747069624 /nfs/dbraw/zinc/06/96/24/747069624.db2.gz JOYUKRPSMSTHRX-HFTRVMKXSA-N 1 1 349.475 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000979080686 747133792 /nfs/dbraw/zinc/13/37/92/747133792.db2.gz NTEUGXPJZYNRER-XOKHGSTOSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CCCC)n3)[C@@H]2C1 ZINC000979081215 747173586 /nfs/dbraw/zinc/17/35/86/747173586.db2.gz HDATWEXNWBFHJB-PHZGNYQRSA-N 1 1 342.443 0.974 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](CC)C(N)=O ZINC001029511345 747207328 /nfs/dbraw/zinc/20/73/28/747207328.db2.gz IZXVWNGNDHMUKX-NPJQDHAYSA-N 1 1 335.448 0.907 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CC)C(N)=O ZINC001029511345 747207333 /nfs/dbraw/zinc/20/73/33/747207333.db2.gz IZXVWNGNDHMUKX-NPJQDHAYSA-N 1 1 335.448 0.907 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001088074596 747234605 /nfs/dbraw/zinc/23/46/05/747234605.db2.gz VQRSWIOGACCSLI-HZSPNIEDSA-N 1 1 325.840 0.998 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001088074596 747234607 /nfs/dbraw/zinc/23/46/07/747234607.db2.gz VQRSWIOGACCSLI-HZSPNIEDSA-N 1 1 325.840 0.998 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc4c3nnn4C)C[C@@H]2C1 ZINC001088082783 747286874 /nfs/dbraw/zinc/28/68/74/747286874.db2.gz KRJMMOQBUVHAQT-KGLIPLIRSA-N 1 1 338.415 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC001002401203 747299249 /nfs/dbraw/zinc/29/92/49/747299249.db2.gz FDKPKOLXSAKACW-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC001002401203 747299255 /nfs/dbraw/zinc/29/92/55/747299255.db2.gz FDKPKOLXSAKACW-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088087534 747331778 /nfs/dbraw/zinc/33/17/78/747331778.db2.gz ZYRWEBWWZACGTB-OCCSQVGLSA-N 1 1 330.363 0.463 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088087534 747331785 /nfs/dbraw/zinc/33/17/85/747331785.db2.gz ZYRWEBWWZACGTB-OCCSQVGLSA-N 1 1 330.363 0.463 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)C3=CCOCC3)C2)C1=O ZINC001007189240 752174704 /nfs/dbraw/zinc/17/47/04/752174704.db2.gz LFYQDPBTHBYMKO-JKSUJKDBSA-N 1 1 333.432 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)C3=CCOCC3)C2)C1=O ZINC001007189240 752174708 /nfs/dbraw/zinc/17/47/08/752174708.db2.gz LFYQDPBTHBYMKO-JKSUJKDBSA-N 1 1 333.432 0.701 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]2C1 ZINC001088126139 747440958 /nfs/dbraw/zinc/44/09/58/747440958.db2.gz QLCHUWXHTVACFX-KGLIPLIRSA-N 1 1 326.462 0.613 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC001002518083 747460202 /nfs/dbraw/zinc/46/02/02/747460202.db2.gz RYAARIUJZQPLPF-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]2C1 ZINC001088137851 747475735 /nfs/dbraw/zinc/47/57/35/747475735.db2.gz HMXSPYMOWRPDIO-OCCSQVGLSA-N 1 1 325.372 0.462 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]2C1 ZINC001088142501 747496659 /nfs/dbraw/zinc/49/66/59/747496659.db2.gz NDOVPXIJZUSTFK-CABCVRRESA-N 1 1 328.416 0.680 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccn4nnnc4c3)C[C@@]2(C)C1 ZINC000982431109 752189393 /nfs/dbraw/zinc/18/93/93/752189393.db2.gz FSFUIAQGHLUBSH-HDICACEKSA-N 1 1 338.415 0.932 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2nocc2C)C1 ZINC000979302319 747549662 /nfs/dbraw/zinc/54/96/62/747549662.db2.gz IGHBPHSALYPRRY-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2nocc2C)C1 ZINC000979302319 747549666 /nfs/dbraw/zinc/54/96/66/747549666.db2.gz IGHBPHSALYPRRY-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ncoc2C)C1=O ZINC001027780509 747648531 /nfs/dbraw/zinc/64/85/31/747648531.db2.gz QTXGEVGEQQOHCG-KBPBESRZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ncoc2C)C1=O ZINC001027780509 747648533 /nfs/dbraw/zinc/64/85/33/747648533.db2.gz QTXGEVGEQQOHCG-KBPBESRZSA-N 1 1 332.404 0.964 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cnn(C)c3)CC2)C1 ZINC001088228067 747776200 /nfs/dbraw/zinc/77/62/00/747776200.db2.gz HDNBWJSGWMVKEI-QGZVFWFLSA-N 1 1 330.432 0.996 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC001088231267 747779880 /nfs/dbraw/zinc/77/98/80/747779880.db2.gz NAQPGDATFFVUSP-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001088229911 747781034 /nfs/dbraw/zinc/78/10/34/747781034.db2.gz COQFOMWVFDMAES-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001088233117 747789845 /nfs/dbraw/zinc/78/98/45/747789845.db2.gz IHOZOPBGNFHFQF-INIZCTEOSA-N 1 1 345.447 0.782 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 ZINC001088233891 747801078 /nfs/dbraw/zinc/80/10/78/747801078.db2.gz CKFFTRHWFGRBRB-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC001088234176 747802627 /nfs/dbraw/zinc/80/26/27/747802627.db2.gz KHSBPOWDXSKOKK-OAHLLOKOSA-N 1 1 344.415 0.759 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001088234337 747803945 /nfs/dbraw/zinc/80/39/45/747803945.db2.gz OZMIBBOAGSKROV-INIZCTEOSA-N 1 1 348.451 0.579 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001088235466 747817778 /nfs/dbraw/zinc/81/77/78/747817778.db2.gz SHLVSIZHLDJERR-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001007236918 752214829 /nfs/dbraw/zinc/21/48/29/752214829.db2.gz RGLYYAAVOKWUSC-GJZGRUSLSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001007236918 752214833 /nfs/dbraw/zinc/21/48/33/752214833.db2.gz RGLYYAAVOKWUSC-GJZGRUSLSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001088236995 747833363 /nfs/dbraw/zinc/83/33/63/747833363.db2.gz JFMDWKYSGWJUBK-CABCVRRESA-N 1 1 336.436 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccncc2C)C1 ZINC001002825784 747838304 /nfs/dbraw/zinc/83/83/04/747838304.db2.gz HGMRFMDMYVZSJW-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccncc2C)C1 ZINC001002825784 747838314 /nfs/dbraw/zinc/83/83/14/747838314.db2.gz HGMRFMDMYVZSJW-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cn(C)cn3)CC2)C1=O ZINC000985381378 747839757 /nfs/dbraw/zinc/83/97/57/747839757.db2.gz KVIVJQACUIWNGV-MRXNPFEDSA-N 1 1 345.447 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)n2cccn2)C1 ZINC001002830916 747849107 /nfs/dbraw/zinc/84/91/07/747849107.db2.gz YMQMQFKFLIQWBQ-HOCLYGCPSA-N 1 1 343.431 0.116 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)n2cccn2)C1 ZINC001002830916 747849112 /nfs/dbraw/zinc/84/91/12/747849112.db2.gz YMQMQFKFLIQWBQ-HOCLYGCPSA-N 1 1 343.431 0.116 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001002837059 747859860 /nfs/dbraw/zinc/85/98/60/747859860.db2.gz XMXJAUMZBAIBBY-IKGGRYGDSA-N 1 1 345.443 0.250 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001002837059 747859876 /nfs/dbraw/zinc/85/98/76/747859876.db2.gz XMXJAUMZBAIBBY-IKGGRYGDSA-N 1 1 345.443 0.250 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2nccnc2N)C1=O ZINC001027800684 747867011 /nfs/dbraw/zinc/86/70/11/747867011.db2.gz YHZKTJABFFOKQX-QWHCGFSZSA-N 1 1 344.419 0.040 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nccnc2N)C1=O ZINC001027800684 747867019 /nfs/dbraw/zinc/86/70/19/747867019.db2.gz YHZKTJABFFOKQX-QWHCGFSZSA-N 1 1 344.419 0.040 20 30 ECEDMO C[N@@H+](C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000985389328 747874287 /nfs/dbraw/zinc/87/42/87/747874287.db2.gz RSYBFRQOMVVMQP-CQSZACIVSA-N 1 1 343.387 0.228 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000988503924 752221399 /nfs/dbraw/zinc/22/13/99/752221399.db2.gz VQYDZURZSUQBFG-YPMHNXCESA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C)no2)C1 ZINC000979468407 747905484 /nfs/dbraw/zinc/90/54/84/747905484.db2.gz XYJVXHIHCZVWNX-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C)no2)C1 ZINC000979468407 747905485 /nfs/dbraw/zinc/90/54/85/747905485.db2.gz XYJVXHIHCZVWNX-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(CO[C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001088240286 747937270 /nfs/dbraw/zinc/93/72/70/747937270.db2.gz UNDBZIUGSAFMHX-IAGOWNOFSA-N 1 1 334.464 0.791 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001088240423 747939415 /nfs/dbraw/zinc/93/94/15/747939415.db2.gz YORHTFDRRGHPFS-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)s1 ZINC001007257584 752229157 /nfs/dbraw/zinc/22/91/57/752229157.db2.gz HBCMCVZSQVAELN-GWCFXTLKSA-N 1 1 334.401 0.809 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)s1 ZINC001007257584 752229158 /nfs/dbraw/zinc/22/91/58/752229158.db2.gz HBCMCVZSQVAELN-GWCFXTLKSA-N 1 1 334.401 0.809 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979565680 748051625 /nfs/dbraw/zinc/05/16/25/748051625.db2.gz JJOMRCXSGQRWSY-WHOFXGATSA-N 1 1 329.404 0.605 20 30 ECEDMO CN1CCC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001029690890 748078698 /nfs/dbraw/zinc/07/86/98/748078698.db2.gz KEUWQVBPBSKWBS-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979613464 748121872 /nfs/dbraw/zinc/12/18/72/748121872.db2.gz PHKBRKLJLZSNNU-JURCDPSOSA-N 1 1 343.431 0.709 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@@H]1CCCNC1=O ZINC001029712656 748124875 /nfs/dbraw/zinc/12/48/75/748124875.db2.gz XREACIWUFRQPPM-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001029725097 748160884 /nfs/dbraw/zinc/16/08/84/748160884.db2.gz SYPVSQHDWZCDHR-CZUORRHYSA-N 1 1 342.399 0.947 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979666428 748187935 /nfs/dbraw/zinc/18/79/35/748187935.db2.gz UUEZWWRYXUOODH-LMRQPLJMSA-N 1 1 343.431 0.709 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cn(C)nn2)C1 ZINC001029758156 748271070 /nfs/dbraw/zinc/27/10/70/748271070.db2.gz SMUPSCWUJDZJPU-RDJZCZTQSA-N 1 1 344.463 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cn(C)nn2)C1 ZINC001029758156 748271075 /nfs/dbraw/zinc/27/10/75/748271075.db2.gz SMUPSCWUJDZJPU-RDJZCZTQSA-N 1 1 344.463 0.193 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000979772912 748398725 /nfs/dbraw/zinc/39/87/25/748398725.db2.gz FNWYWUZCUVCZKK-VQHPVUNQSA-N 1 1 346.475 0.047 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCOCC3=O)C[C@@H]2C1 ZINC000979793434 748408988 /nfs/dbraw/zinc/40/89/88/748408988.db2.gz FSOJNZUFPWOIIM-XHSDSOJGSA-N 1 1 335.448 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC001003468843 748586785 /nfs/dbraw/zinc/58/67/85/748586785.db2.gz WKXQLQUNTTYDLM-OAHLLOKOSA-N 1 1 326.400 0.203 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029822008 748603338 /nfs/dbraw/zinc/60/33/38/748603338.db2.gz WXWHPVNTIMTOQI-CVEARBPZSA-N 1 1 341.415 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001059584678 748603433 /nfs/dbraw/zinc/60/34/33/748603433.db2.gz UQBLLNLNQJUZMP-YESZJQIVSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001059584678 748603436 /nfs/dbraw/zinc/60/34/36/748603436.db2.gz UQBLLNLNQJUZMP-YESZJQIVSA-N 1 1 349.475 0.456 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007319426 752286645 /nfs/dbraw/zinc/28/66/45/752286645.db2.gz HXFZHNJTJRVEHV-ZIAGYGMSSA-N 1 1 331.420 0.919 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCCNC3=O)C2)c1 ZINC001029835023 748668027 /nfs/dbraw/zinc/66/80/27/748668027.db2.gz KUUREZATUIMQLM-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cc(C)cn3)C2)nn1 ZINC001098630829 748679971 /nfs/dbraw/zinc/67/99/71/748679971.db2.gz XGEZLSRYSOJQJB-HNNXBMFYSA-N 1 1 329.408 0.532 20 30 ECEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCCCC[C@@H](NCC#N)C1 ZINC001088326161 748729798 /nfs/dbraw/zinc/72/97/98/748729798.db2.gz ISNXLYQVYCMKCA-CVEARBPZSA-N 1 1 332.452 0.698 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cn(C)nn2)C1 ZINC001029845257 748751020 /nfs/dbraw/zinc/75/10/20/748751020.db2.gz BLADNFIVUOPKMF-IMJJTQAJSA-N 1 1 333.436 0.687 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cn(C)nn2)C1 ZINC001029845257 748751025 /nfs/dbraw/zinc/75/10/25/748751025.db2.gz BLADNFIVUOPKMF-IMJJTQAJSA-N 1 1 333.436 0.687 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(F)c1 ZINC001003641879 748753848 /nfs/dbraw/zinc/75/38/48/748753848.db2.gz KHEFHOALTNMOHF-CABCVRRESA-N 1 1 344.390 0.899 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003642169 748754536 /nfs/dbraw/zinc/75/45/36/748754536.db2.gz NAUKVXQUGNERFM-SJORKVTESA-N 1 1 325.412 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000979966668 748758378 /nfs/dbraw/zinc/75/83/78/748758378.db2.gz BYVKDKAKJWYLRG-KKUMJFAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000979966668 748758383 /nfs/dbraw/zinc/75/83/83/748758383.db2.gz BYVKDKAKJWYLRG-KKUMJFAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000979969187 748762900 /nfs/dbraw/zinc/76/29/00/748762900.db2.gz YGLLKRDVKKKHJX-DZKIICNBSA-N 1 1 343.431 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000979969187 748762902 /nfs/dbraw/zinc/76/29/02/748762902.db2.gz YGLLKRDVKKKHJX-DZKIICNBSA-N 1 1 343.431 0.061 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC([N@@H+](C)CCN3C(=O)CNC3=O)CC2)C1 ZINC000985635871 748771367 /nfs/dbraw/zinc/77/13/67/748771367.db2.gz FZXMJOARSXGYLQ-UHFFFAOYSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)COC)C[C@@H]2C1 ZINC000985636410 748772605 /nfs/dbraw/zinc/77/26/05/748772605.db2.gz VZHUGMWAFPLZNG-PMPSAXMXSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)COC)C[C@@H]2C1 ZINC000985636410 748772610 /nfs/dbraw/zinc/77/26/10/748772610.db2.gz VZHUGMWAFPLZNG-PMPSAXMXSA-N 1 1 333.432 0.037 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)ccc1F ZINC001027860778 748816446 /nfs/dbraw/zinc/81/64/46/748816446.db2.gz LCVSUSMGDZHHBJ-DZGCQCFKSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)ccc1F ZINC001027860778 748816453 /nfs/dbraw/zinc/81/64/53/748816453.db2.gz LCVSUSMGDZHHBJ-DZGCQCFKSA-N 1 1 346.362 0.886 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)[C@@H]3CCN(C)C3=O)CC2)nn1 ZINC000985696566 748887313 /nfs/dbraw/zinc/88/73/13/748887313.db2.gz VDDNJYQVYSIYDI-OAHLLOKOSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC([N@H+](C)[C@@H](CC)C(N)=O)CC2)nn1 ZINC000985700338 748890529 /nfs/dbraw/zinc/89/05/29/748890529.db2.gz PFVCSXSCXPEEPM-HNNXBMFYSA-N 1 1 348.451 0.655 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001003798115 748909418 /nfs/dbraw/zinc/90/94/18/748909418.db2.gz ZUGVBVJTUSONQE-LLLHUVSDSA-N 1 1 349.475 0.882 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(C)nc3C)C2)nn1 ZINC001105345556 748975909 /nfs/dbraw/zinc/97/59/09/748975909.db2.gz GXIPZRMNLFGQER-UHFFFAOYSA-N 1 1 327.392 0.658 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)[C@@H](CC)C(N)=O)CC2)cn1 ZINC000985757628 749020552 /nfs/dbraw/zinc/02/05/52/749020552.db2.gz RYDOJVIXUFLEEB-INIZCTEOSA-N 1 1 328.416 0.863 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC([N@H+](C)[C@H](C)C(N)=O)CC1 ZINC000985758008 749021301 /nfs/dbraw/zinc/02/13/01/749021301.db2.gz TVYJGEQDSCNHAO-CYBMUJFWSA-N 1 1 344.415 0.504 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCCNC3=O)C[C@H]2C1 ZINC000980143833 749060410 /nfs/dbraw/zinc/06/04/10/749060410.db2.gz QFLIXUNAXVPIKH-JYJNAYRXSA-N 1 1 332.448 0.642 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4nnnc4c3)C[C@@H]2C1 ZINC000980166072 749100242 /nfs/dbraw/zinc/10/02/42/749100242.db2.gz DONDKZXGRLZXTD-ARFHVFGLSA-N 1 1 338.415 0.978 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@@H]3C2)cc1 ZINC000980166695 749100988 /nfs/dbraw/zinc/10/09/88/749100988.db2.gz QGJSKTSLECRNGO-XHSDSOJGSA-N 1 1 326.400 0.760 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980167394 749101964 /nfs/dbraw/zinc/10/19/64/749101964.db2.gz SHDVGEUWEUKPIU-RRFJBIMHSA-N 1 1 346.431 0.742 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)cn3)C[C@@H]2C1 ZINC000980168841 749104606 /nfs/dbraw/zinc/10/46/06/749104606.db2.gz SRMTXDSPSVGSBQ-ZNMIVQPWSA-N 1 1 328.416 0.634 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001059647710 749107732 /nfs/dbraw/zinc/10/77/32/749107732.db2.gz FHCWUBSSWUAITD-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)nc1 ZINC001003997671 749124791 /nfs/dbraw/zinc/12/47/91/749124791.db2.gz HKOANOLBUSHJHR-UHFFFAOYSA-N 1 1 340.427 0.880 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCCO)C[C@H]3C2)nn1 ZINC000980192536 749125375 /nfs/dbraw/zinc/12/53/75/749125375.db2.gz UKDCNNPTEALGHD-RRFJBIMHSA-N 1 1 333.436 0.677 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)nc1 ZINC001004002282 749129989 /nfs/dbraw/zinc/12/99/89/749129989.db2.gz BCPWIUKWKZMAFJ-HNNXBMFYSA-N 1 1 340.383 0.062 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1ncccc1C#N ZINC001126255490 749151778 /nfs/dbraw/zinc/15/17/78/749151778.db2.gz WTZQROMELUOZRV-HNNXBMFYSA-N 1 1 331.420 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3nonc3C)CC2)C1=O ZINC000985812333 749153508 /nfs/dbraw/zinc/15/35/08/749153508.db2.gz AYONAELGTUVQHE-CQSZACIVSA-N 1 1 347.419 0.701 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000980219371 749215167 /nfs/dbraw/zinc/21/51/67/749215167.db2.gz OIXLZMAQWHVQNP-ZNMIVQPWSA-N 1 1 346.431 0.168 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001004110924 749220439 /nfs/dbraw/zinc/22/04/39/749220439.db2.gz QAPWXPNKAXUMHF-UHFFFAOYSA-N 1 1 328.800 0.214 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cnon3)C2)C1=O ZINC001029870470 749224962 /nfs/dbraw/zinc/22/49/62/749224962.db2.gz UBMMPNAPTOPNGT-TZMCWYRMSA-N 1 1 333.392 0.250 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nc4nccc(C)n4n3)C[C@@H]2C1 ZINC000980230096 749225882 /nfs/dbraw/zinc/22/58/82/749225882.db2.gz KHAWYMOKHHKJEC-RRFJBIMHSA-N 1 1 338.415 0.896 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(OC)ncnc3OC)C[C@@H]2C1 ZINC000980243575 749249254 /nfs/dbraw/zinc/24/92/54/749249254.db2.gz BNOOORYHZAXSSH-BFHYXJOUSA-N 1 1 344.415 0.957 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC000980263005 749269877 /nfs/dbraw/zinc/26/98/77/749269877.db2.gz IXSQOPOUQBHJBW-DZGCQCFKSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3[nH]cnc3CC)C2)C1=O ZINC000980282355 749310024 /nfs/dbraw/zinc/31/00/24/749310024.db2.gz DEOOINXJCZJVRM-HIFRSBDPSA-N 1 1 345.447 0.905 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN([C@H]3CCCNC3=O)CC2)CC1 ZINC001004210531 749321054 /nfs/dbraw/zinc/32/10/54/749321054.db2.gz WTXPXZZLZSVQJI-KRWDZBQOSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(OCC(N)=O)c1 ZINC001027917169 749392775 /nfs/dbraw/zinc/39/27/75/749392775.db2.gz BUYDJSZFEDDOTJ-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2conc2C)C1 ZINC000980364550 749442553 /nfs/dbraw/zinc/44/25/53/749442553.db2.gz CMTAUTMSADQOAJ-DZKIICNBSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2conc2C)C1 ZINC000980364550 749442559 /nfs/dbraw/zinc/44/25/59/749442559.db2.gz CMTAUTMSADQOAJ-DZKIICNBSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001004456762 749523509 /nfs/dbraw/zinc/52/35/09/749523509.db2.gz HTIUSBGCCWETTE-GJZGRUSLSA-N 1 1 346.431 0.311 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001004459753 749527284 /nfs/dbraw/zinc/52/72/84/749527284.db2.gz WKXYQYPUDBMNRV-QGZVFWFLSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001004517864 749589104 /nfs/dbraw/zinc/58/91/04/749589104.db2.gz YTKCBYRCJLTQPR-KBMXLJTQSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001004517864 749589112 /nfs/dbraw/zinc/58/91/12/749589112.db2.gz YTKCBYRCJLTQPR-KBMXLJTQSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)[C@@H]3CCN(C)C3=O)C2)CC1 ZINC000980477467 749630151 /nfs/dbraw/zinc/63/01/51/749630151.db2.gz HAWGZICATUHPJE-DLBZAZTESA-N 1 1 346.475 0.095 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)c2nnn(C)n2)C1 ZINC001029921693 749631914 /nfs/dbraw/zinc/63/19/14/749631914.db2.gz PIUVCXPJZMBDSB-INIZCTEOSA-N 1 1 338.415 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)c2nnn(C)n2)C1 ZINC001029921693 749631919 /nfs/dbraw/zinc/63/19/19/749631919.db2.gz PIUVCXPJZMBDSB-INIZCTEOSA-N 1 1 338.415 0.950 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1C ZINC000986178611 749637829 /nfs/dbraw/zinc/63/78/29/749637829.db2.gz VIPKTSHONAKYQC-SMDDNHRTSA-N 1 1 341.419 0.970 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)nn1 ZINC000986181535 749639860 /nfs/dbraw/zinc/63/98/60/749639860.db2.gz GSPCBMKOHYLKPL-IAQYHMDHSA-N 1 1 327.392 0.891 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)n[nH]3)[C@H]2C)C1=O ZINC001088482929 749642643 /nfs/dbraw/zinc/64/26/43/749642643.db2.gz GWLCWLKFHMZDNR-IPYPFGDCSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)n[nH]3)[C@H]2C)C1=O ZINC001088482929 749642646 /nfs/dbraw/zinc/64/26/46/749642646.db2.gz GWLCWLKFHMZDNR-IPYPFGDCSA-N 1 1 331.420 0.698 20 30 ECEDMO C[NH+]=C(NCC1(N(C)C)CCOCC1)N1CCC(C(=O)OC)CC1 ZINC000262764479 749678636 /nfs/dbraw/zinc/67/86/36/749678636.db2.gz GYJNXTRWJGHVEH-UHFFFAOYSA-N 1 1 340.468 0.558 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3[nH]cnc3C)C2)C1=O ZINC000980567659 749808248 /nfs/dbraw/zinc/80/82/48/749808248.db2.gz VCGVZRBAVRSJSL-ZIAGYGMSSA-N 1 1 331.420 0.651 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001004794353 749875645 /nfs/dbraw/zinc/87/56/45/749875645.db2.gz ADMVNMLJNOKESO-BXUZGUMPSA-N 1 1 342.407 0.583 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2nc(N(C)C)no2)CC1 ZINC001029946292 750025555 /nfs/dbraw/zinc/02/55/55/750025555.db2.gz KPOTVFHRAGSAAM-LBPRGKRZSA-N 1 1 334.424 0.966 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(C[N@@H+](C)Cc2nc(N(C)C)no2)CC1 ZINC001029946292 750025564 /nfs/dbraw/zinc/02/55/64/750025564.db2.gz KPOTVFHRAGSAAM-LBPRGKRZSA-N 1 1 334.424 0.966 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H](C)n3cccn3)CC2)C1=O ZINC000980747848 750080953 /nfs/dbraw/zinc/08/09/53/750080953.db2.gz AHOFRLGLUMLVAA-CVEARBPZSA-N 1 1 345.447 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H](C)n3cccn3)CC2)C1=O ZINC000980747848 750080955 /nfs/dbraw/zinc/08/09/55/750080955.db2.gz AHOFRLGLUMLVAA-CVEARBPZSA-N 1 1 345.447 0.765 20 30 ECEDMO CN(CCN(C)c1ncccc1C#N)C(=O)CC[NH+]1CCOCC1 ZINC001105434527 750087792 /nfs/dbraw/zinc/08/77/92/750087792.db2.gz YHGBIQWSMNGLIX-UHFFFAOYSA-N 1 1 331.420 0.570 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001058846774 750101702 /nfs/dbraw/zinc/10/17/02/750101702.db2.gz FOWSRNURSCYDST-JKSUJKDBSA-N 1 1 337.464 0.315 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058848838 750162810 /nfs/dbraw/zinc/16/28/10/750162810.db2.gz LEPFFJDIGZJUKF-CABCVRRESA-N 1 1 325.453 0.478 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001058850031 750185211 /nfs/dbraw/zinc/18/52/11/750185211.db2.gz AWYMNPVTWYEDOK-UHFFFAOYSA-N 1 1 339.480 0.561 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001058850164 750185699 /nfs/dbraw/zinc/18/56/99/750185699.db2.gz FZKSQNXURPSBQV-UHFFFAOYSA-N 1 1 325.453 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2c[nH]nc2CC)C1=O ZINC001027990239 750241664 /nfs/dbraw/zinc/24/16/64/750241664.db2.gz SUEQRGHZMNGMHB-BBRMVZONSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c[nH]nc2CC)C1=O ZINC001027990239 750241669 /nfs/dbraw/zinc/24/16/69/750241669.db2.gz SUEQRGHZMNGMHB-BBRMVZONSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]nc2CC)C1=O ZINC001027990241 750241863 /nfs/dbraw/zinc/24/18/63/750241863.db2.gz SUEQRGHZMNGMHB-CZUORRHYSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]nc2CC)C1=O ZINC001027990241 750241867 /nfs/dbraw/zinc/24/18/67/750241867.db2.gz SUEQRGHZMNGMHB-CZUORRHYSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3ccon3)CC2)C1=O ZINC000980874819 750290659 /nfs/dbraw/zinc/29/06/59/750290659.db2.gz AQNSRTVKYFGWLP-HNNXBMFYSA-N 1 1 332.404 0.538 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3ccon3)CC2)C1=O ZINC000980874819 750290666 /nfs/dbraw/zinc/29/06/66/750290666.db2.gz AQNSRTVKYFGWLP-HNNXBMFYSA-N 1 1 332.404 0.538 20 30 ECEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029989497 750402748 /nfs/dbraw/zinc/40/27/48/750402748.db2.gz AZLCLIQDAXJCLA-UHFFFAOYSA-N 1 1 332.379 0.853 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001075885450 750439951 /nfs/dbraw/zinc/43/99/51/750439951.db2.gz XGQGTQFEOADPFV-SQWLQELKSA-N 1 1 328.416 0.709 20 30 ECEDMO [NH2+]=C(NCc1ccc2cncn2c1)N1CCN(c2ncccn2)CC1 ZINC000263153918 750489190 /nfs/dbraw/zinc/48/91/90/750489190.db2.gz PTTQKFXXXZKICO-UHFFFAOYSA-N 1 1 336.403 0.761 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC000981281728 750539929 /nfs/dbraw/zinc/53/99/29/750539929.db2.gz KGOFMTLEHQXEJI-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cnsn2)C1 ZINC001005748910 750588881 /nfs/dbraw/zinc/58/88/81/750588881.db2.gz JEBWWANIVCJZGE-FZMZJTMJSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cnsn2)C1 ZINC001005748910 750588887 /nfs/dbraw/zinc/58/88/87/750588887.db2.gz JEBWWANIVCJZGE-FZMZJTMJSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ncoc2C)C1 ZINC001005771399 750615722 /nfs/dbraw/zinc/61/57/22/750615722.db2.gz PTKNKXXCMNDXBK-WFASDCNBSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ncoc2C)C1 ZINC001005771399 750615726 /nfs/dbraw/zinc/61/57/26/750615726.db2.gz PTKNKXXCMNDXBK-WFASDCNBSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nonc2C)CC1 ZINC000981361295 750624779 /nfs/dbraw/zinc/62/47/79/750624779.db2.gz DDYLMXPGUWIDIK-INIZCTEOSA-N 1 1 331.420 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nonc2C)CC1 ZINC000981361295 750624783 /nfs/dbraw/zinc/62/47/83/750624783.db2.gz DDYLMXPGUWIDIK-INIZCTEOSA-N 1 1 331.420 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ncc(C)cn2)CC1 ZINC000981361667 750625891 /nfs/dbraw/zinc/62/58/91/750625891.db2.gz XMNVXDISBDIHTB-KRWDZBQOSA-N 1 1 341.459 0.917 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ncc(C)cn2)CC1 ZINC000981361667 750625893 /nfs/dbraw/zinc/62/58/93/750625893.db2.gz XMNVXDISBDIHTB-KRWDZBQOSA-N 1 1 341.459 0.917 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000981370415 750634056 /nfs/dbraw/zinc/63/40/56/750634056.db2.gz SKRONVQFJSSZCZ-GZBFAFLISA-N 1 1 343.431 0.853 20 30 ECEDMO C=CCn1cc(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001005825531 750692965 /nfs/dbraw/zinc/69/29/65/750692965.db2.gz YATWJYQCZZENFX-IUODEOHRSA-N 1 1 346.435 0.135 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001005862894 750742348 /nfs/dbraw/zinc/74/23/48/750742348.db2.gz OSXJEGXPGOPXOQ-OLZOCXBDSA-N 1 1 343.431 0.947 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059794320 750755058 /nfs/dbraw/zinc/75/50/58/750755058.db2.gz FRMFYNFGFFAUSY-GUTXKFCHSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059794320 750755061 /nfs/dbraw/zinc/75/50/61/750755061.db2.gz FRMFYNFGFFAUSY-GUTXKFCHSA-N 1 1 344.419 0.517 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2ccc(=O)n(CCOC)c2)CC1 ZINC000981536943 750787031 /nfs/dbraw/zinc/78/70/31/750787031.db2.gz QNLAETHBKMURLL-UHFFFAOYSA-N 1 1 331.416 0.666 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2ccc(=O)n(CCOC)c2)CC1 ZINC000981536943 750787032 /nfs/dbraw/zinc/78/70/32/750787032.db2.gz QNLAETHBKMURLL-UHFFFAOYSA-N 1 1 331.416 0.666 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2sccc2-n2cnnn2)CC1 ZINC000981541993 750792264 /nfs/dbraw/zinc/79/22/64/750792264.db2.gz DBCANVKCFUFORE-UHFFFAOYSA-N 1 1 330.417 0.895 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2sccc2-n2cnnn2)CC1 ZINC000981541993 750792267 /nfs/dbraw/zinc/79/22/67/750792267.db2.gz DBCANVKCFUFORE-UHFFFAOYSA-N 1 1 330.417 0.895 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)Cn3c[nH+]cc3C)CC2)C1=O ZINC000981625033 750897317 /nfs/dbraw/zinc/89/73/17/750897317.db2.gz PZMXDBFVOBGCQY-MRXNPFEDSA-N 1 1 345.447 0.513 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001028110118 750907532 /nfs/dbraw/zinc/90/75/32/750907532.db2.gz RIPJRFZTPUGTLN-HIFRSBDPSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001028110118 750907533 /nfs/dbraw/zinc/90/75/33/750907533.db2.gz RIPJRFZTPUGTLN-HIFRSBDPSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3cnn(C)c3)C2)nn1 ZINC001098640985 750939815 /nfs/dbraw/zinc/93/98/15/750939815.db2.gz OYNNMELNLPLGMF-HNNXBMFYSA-N 1 1 329.408 0.303 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000987543846 750953334 /nfs/dbraw/zinc/95/33/34/750953334.db2.gz QINXZKIUULDZTR-XBFCOCLRSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001006076528 750993079 /nfs/dbraw/zinc/99/30/79/750993079.db2.gz ZISXMSCOSFGWAH-CQSZACIVSA-N 1 1 326.462 0.757 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CC[NH+]([C@@H](C)C(=O)NC)CC2)nn1 ZINC001006111769 751026003 /nfs/dbraw/zinc/02/60/03/751026003.db2.gz BQLJXWPYAREERM-ZDUSSCGKSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)C(F)F)C1 ZINC000987644761 751050180 /nfs/dbraw/zinc/05/01/80/751050180.db2.gz VZNQVQVWTAMADN-STQMWFEESA-N 1 1 327.375 0.656 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)C(F)F)C1 ZINC000987644761 751050185 /nfs/dbraw/zinc/05/01/85/751050185.db2.gz VZNQVQVWTAMADN-STQMWFEESA-N 1 1 327.375 0.656 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CCC[N@@H+](CC(=O)N1CCOCC1)C2 ZINC000981761265 751071838 /nfs/dbraw/zinc/07/18/38/751071838.db2.gz GEXKFPMLRGLUPJ-UHFFFAOYSA-N 1 1 345.443 0.183 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CCC[N@H+](CC(=O)N1CCOCC1)C2 ZINC000981761265 751071845 /nfs/dbraw/zinc/07/18/45/751071845.db2.gz GEXKFPMLRGLUPJ-UHFFFAOYSA-N 1 1 345.443 0.183 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001059821246 751095588 /nfs/dbraw/zinc/09/55/88/751095588.db2.gz OHWXXJNSUDUZPT-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001006185801 751100992 /nfs/dbraw/zinc/10/09/92/751100992.db2.gz HZKYJIOPIPBHLY-DZGCQCFKSA-N 1 1 337.464 0.882 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001006185801 751100997 /nfs/dbraw/zinc/10/09/97/751100997.db2.gz HZKYJIOPIPBHLY-DZGCQCFKSA-N 1 1 337.464 0.882 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCN(CC)C2=O)c1 ZINC001028128680 751153968 /nfs/dbraw/zinc/15/39/68/751153968.db2.gz JQCOREOFKVXLEG-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCN(CC)C2=O)c1 ZINC001028128680 751153972 /nfs/dbraw/zinc/15/39/72/751153972.db2.gz JQCOREOFKVXLEG-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001028136459 751173060 /nfs/dbraw/zinc/17/30/60/751173060.db2.gz PWTFPOXAHPJDMV-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)s1 ZINC001028139672 751190166 /nfs/dbraw/zinc/19/01/66/751190166.db2.gz BKYOFVRVNDEAPM-GDLCADMTSA-N 1 1 332.429 0.822 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)s1 ZINC001028139672 751190167 /nfs/dbraw/zinc/19/01/67/751190167.db2.gz BKYOFVRVNDEAPM-GDLCADMTSA-N 1 1 332.429 0.822 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCN(C(=O)C3(C(N)=O)CC3)CC2)c1 ZINC000981865238 751216961 /nfs/dbraw/zinc/21/69/61/751216961.db2.gz QCUQXSCTLVWINN-UHFFFAOYSA-N 1 1 326.400 0.858 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)C3(C(N)=O)CC3)CC2)c1 ZINC000981865238 751216968 /nfs/dbraw/zinc/21/69/68/751216968.db2.gz QCUQXSCTLVWINN-UHFFFAOYSA-N 1 1 326.400 0.858 20 30 ECEDMO C#CC[N@H+]1CCCC2(CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C2)C1 ZINC000981877083 751237401 /nfs/dbraw/zinc/23/74/01/751237401.db2.gz NMLAPVROJOBLCG-UHFFFAOYSA-N 1 1 344.459 0.933 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C2)C1 ZINC000981877083 751237406 /nfs/dbraw/zinc/23/74/06/751237406.db2.gz NMLAPVROJOBLCG-UHFFFAOYSA-N 1 1 344.459 0.933 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2nccs2)C1 ZINC001006318326 751240567 /nfs/dbraw/zinc/24/05/67/751240567.db2.gz HTJBZDWVCGPOTQ-JSGCOSHPSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2nccs2)C1 ZINC001006318326 751240569 /nfs/dbraw/zinc/24/05/69/751240569.db2.gz HTJBZDWVCGPOTQ-JSGCOSHPSA-N 1 1 346.456 0.817 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000987828283 751243495 /nfs/dbraw/zinc/24/34/95/751243495.db2.gz ZKKBZTXRSCQTKG-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001087435800 751309671 /nfs/dbraw/zinc/30/96/71/751309671.db2.gz HOHYIYMDOVPSNL-OWCLPIDISA-N 1 1 328.416 0.828 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccnnc2)C1=O ZINC001028161063 751317468 /nfs/dbraw/zinc/31/74/68/751317468.db2.gz FNUPLVLFVXMBKI-HUUCEWRRSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccnnc2)C1=O ZINC001028161063 751317476 /nfs/dbraw/zinc/31/74/76/751317476.db2.gz FNUPLVLFVXMBKI-HUUCEWRRSA-N 1 1 329.404 0.458 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(=O)[nH]n3)[C@@H](O)C2)c1 ZINC001083321406 751335585 /nfs/dbraw/zinc/33/55/85/751335585.db2.gz IQMHJJYMEHSPMH-CABCVRRESA-N 1 1 339.355 0.029 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3ccc(=O)[nH]n3)[C@@H](O)C2)c1 ZINC001083321406 751335591 /nfs/dbraw/zinc/33/55/91/751335591.db2.gz IQMHJJYMEHSPMH-CABCVRRESA-N 1 1 339.355 0.029 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000988621226 752401370 /nfs/dbraw/zinc/40/13/70/752401370.db2.gz KEJKLSSOLYYVPB-SMDDNHRTSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2[C@H](C)C(=O)N(C)C)CC1 ZINC001028333106 752401584 /nfs/dbraw/zinc/40/15/84/752401584.db2.gz DQXFYOFOOJCEIW-WBVHZDCISA-N 1 1 348.491 0.389 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C#CC2CC2)C3)C1 ZINC001007476160 752425233 /nfs/dbraw/zinc/42/52/33/752425233.db2.gz FVSSHYYAZXJDRY-BXWFABGCSA-N 1 1 329.444 0.849 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001059910732 752427119 /nfs/dbraw/zinc/42/71/19/752427119.db2.gz WMJPWIIWFYHMBX-HIFRSBDPSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001059911344 752456951 /nfs/dbraw/zinc/45/69/51/752456951.db2.gz JFQJCLLVFFFSOH-GOEBONIOSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001059911344 752456956 /nfs/dbraw/zinc/45/69/56/752456956.db2.gz JFQJCLLVFFFSOH-GOEBONIOSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001059911484 752457999 /nfs/dbraw/zinc/45/79/99/752457999.db2.gz LJEILFKVMMAOKI-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001059911484 752458005 /nfs/dbraw/zinc/45/80/05/752458005.db2.gz LJEILFKVMMAOKI-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nn(C)c3F)C2)nn1 ZINC001105367919 752466241 /nfs/dbraw/zinc/46/62/41/752466241.db2.gz IKVVPYUWPHMIRV-UHFFFAOYSA-N 1 1 333.371 0.432 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnn4cc[nH]c34)C2)nn1 ZINC001105367860 752466477 /nfs/dbraw/zinc/46/64/77/752466477.db2.gz DLSFIOYLNPUHEO-UHFFFAOYSA-N 1 1 340.391 0.617 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3OC)C2)nn1 ZINC001105368179 752467943 /nfs/dbraw/zinc/46/79/43/752467943.db2.gz QXDXYILNKAOPJQ-UHFFFAOYSA-N 1 1 345.407 0.383 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001059912172 752468665 /nfs/dbraw/zinc/46/86/65/752468665.db2.gz XERHBNNOUQRUJN-RHSMWYFYSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001059912172 752468668 /nfs/dbraw/zinc/46/86/68/752468668.db2.gz XERHBNNOUQRUJN-RHSMWYFYSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nccnc2C)C1 ZINC001007520203 752477249 /nfs/dbraw/zinc/47/72/49/752477249.db2.gz YPBYSCRCDMSHJA-WMZOPIPTSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nccnc2C)C1 ZINC001007520203 752477252 /nfs/dbraw/zinc/47/72/52/752477252.db2.gz YPBYSCRCDMSHJA-WMZOPIPTSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnc(C)cn2)C1 ZINC001007520018 752477312 /nfs/dbraw/zinc/47/73/12/752477312.db2.gz WHGHFKKJWZRBAC-AEFFLSMTSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnc(C)cn2)C1 ZINC001007520018 752477314 /nfs/dbraw/zinc/47/73/14/752477314.db2.gz WHGHFKKJWZRBAC-AEFFLSMTSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000982501338 752570761 /nfs/dbraw/zinc/57/07/61/752570761.db2.gz IGFQSRMORXMINS-HOCLYGCPSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000982501338 752570768 /nfs/dbraw/zinc/57/07/68/752570768.db2.gz IGFQSRMORXMINS-HOCLYGCPSA-N 1 1 343.431 0.394 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001028413041 752585217 /nfs/dbraw/zinc/58/52/17/752585217.db2.gz VKPREQSRHKRQDQ-RYUDHWBXSA-N 1 1 333.226 0.749 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001028413041 752585221 /nfs/dbraw/zinc/58/52/21/752585221.db2.gz VKPREQSRHKRQDQ-RYUDHWBXSA-N 1 1 333.226 0.749 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001028432198 752625629 /nfs/dbraw/zinc/62/56/29/752625629.db2.gz YVQWXJOUGWDTJP-GOEBONIOSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncn2C)[C@@H]1C ZINC000988733390 752628211 /nfs/dbraw/zinc/62/82/11/752628211.db2.gz BQQFWEQMHYKIBX-ILXRZTDVSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncn2C)[C@@H]1C ZINC000988733390 752628216 /nfs/dbraw/zinc/62/82/16/752628216.db2.gz BQQFWEQMHYKIBX-ILXRZTDVSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000988737478 752636513 /nfs/dbraw/zinc/63/65/13/752636513.db2.gz ZHRVKAHFHIKEKB-XDKXFUCDSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000988737478 752636515 /nfs/dbraw/zinc/63/65/15/752636515.db2.gz ZHRVKAHFHIKEKB-XDKXFUCDSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncs2)[C@@H]1C ZINC000988738440 752641133 /nfs/dbraw/zinc/64/11/33/752641133.db2.gz NQYTWFLLFFNVAB-RDBSUJKOSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncs2)[C@@H]1C ZINC000988738440 752641136 /nfs/dbraw/zinc/64/11/36/752641136.db2.gz NQYTWFLLFFNVAB-RDBSUJKOSA-N 1 1 346.456 0.960 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)c1 ZINC001021222143 752671385 /nfs/dbraw/zinc/67/13/85/752671385.db2.gz WCSAITQPDPMTNX-FLTXBFBQSA-N 1 1 327.388 0.500 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cn(C)nc3C)C2)C1=O ZINC001028454384 752699248 /nfs/dbraw/zinc/69/92/48/752699248.db2.gz VAKPWSFFBGEAAK-GOEBONIOSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC ZINC001212092506 752713029 /nfs/dbraw/zinc/71/30/29/752713029.db2.gz CVDBAMCCGBYKSJ-HUUCEWRRSA-N 1 1 337.424 0.076 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC ZINC001212092506 752713031 /nfs/dbraw/zinc/71/30/31/752713031.db2.gz CVDBAMCCGBYKSJ-HUUCEWRRSA-N 1 1 337.424 0.076 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001075921068 752727065 /nfs/dbraw/zinc/72/70/65/752727065.db2.gz HCRDMKDIHYSKLX-AWEZNQCLSA-N 1 1 348.447 0.976 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)c1 ZINC001028467516 752761128 /nfs/dbraw/zinc/76/11/28/752761128.db2.gz CWEBBRHUZPSCDW-TZMCWYRMSA-N 1 1 339.403 0.717 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001028468306 752764295 /nfs/dbraw/zinc/76/42/95/752764295.db2.gz SBHXOLGPJJGNPF-CZUORRHYSA-N 1 1 341.415 0.725 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001028490203 752829123 /nfs/dbraw/zinc/82/91/23/752829123.db2.gz JHCDZAIZWIGBBP-RTBURBONSA-N 1 1 341.455 0.807 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(OC)no3)C2)C1=O ZINC001028492351 752838886 /nfs/dbraw/zinc/83/88/86/752838886.db2.gz LJXSPHYOSKZHAK-QWHCGFSZSA-N 1 1 348.403 0.522 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 ZINC001007720150 752856909 /nfs/dbraw/zinc/85/69/09/752856909.db2.gz WOSHHVZPZOXKEE-SUMWQHHRSA-N 1 1 345.403 0.332 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)[C@@H](O)C1 ZINC001083459213 752875500 /nfs/dbraw/zinc/87/55/00/752875500.db2.gz AAAYTMIXNXIVBM-BMFZPTHFSA-N 1 1 332.375 0.561 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001059931294 752900661 /nfs/dbraw/zinc/90/06/61/752900661.db2.gz PPNRBEZCOGGVFW-KGLIPLIRSA-N 1 1 328.420 0.633 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 ZINC000988804319 752902398 /nfs/dbraw/zinc/90/23/98/752902398.db2.gz NCZHSWOPWVKHQB-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 ZINC000988804319 752902401 /nfs/dbraw/zinc/90/24/01/752902401.db2.gz NCZHSWOPWVKHQB-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO O=C(C#CC1CC1)NCC[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001059933939 752938807 /nfs/dbraw/zinc/93/88/07/752938807.db2.gz BLFXQQXPTUXKMP-KRWDZBQOSA-N 1 1 347.459 0.477 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000982575983 752952180 /nfs/dbraw/zinc/95/21/80/752952180.db2.gz SHVSLYPIDXAYQD-ZBFHGGJFSA-N 1 1 343.431 0.015 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000982575983 752952185 /nfs/dbraw/zinc/95/21/85/752952185.db2.gz SHVSLYPIDXAYQD-ZBFHGGJFSA-N 1 1 343.431 0.015 20 30 ECEDMO CS[C@H](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101202043 752970933 /nfs/dbraw/zinc/97/09/33/752970933.db2.gz OXSGXZVNTSYADW-IOASZLSFSA-N 1 1 338.477 0.548 20 30 ECEDMO CS[C@H](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101202043 752970936 /nfs/dbraw/zinc/97/09/36/752970936.db2.gz OXSGXZVNTSYADW-IOASZLSFSA-N 1 1 338.477 0.548 20 30 ECEDMO O=C(NC[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COC(=O)N1 ZINC001028519692 753018279 /nfs/dbraw/zinc/01/82/79/753018279.db2.gz RMEWLYUGRGQTAK-GOEBONIOSA-N 1 1 345.374 0.724 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)ccc1F ZINC001028520166 753048188 /nfs/dbraw/zinc/04/81/88/753048188.db2.gz XZGGYOGDQJBDKL-DOMZBBRYSA-N 1 1 346.362 0.744 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCCN(CCOC)c1ccc(C#N)nn1 ZINC001126381151 753106897 /nfs/dbraw/zinc/10/68/97/753106897.db2.gz VZARSLLGRAMDNI-UHFFFAOYSA-N 1 1 334.424 0.259 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001028551125 753114967 /nfs/dbraw/zinc/11/49/67/753114967.db2.gz HSRYVKYWPDUYIR-OAGGEKHMSA-N 1 1 333.436 0.697 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001007952612 753121373 /nfs/dbraw/zinc/12/13/73/753121373.db2.gz MYTCNJOXZUQSIH-CVEARBPZSA-N 1 1 345.447 0.559 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)C3CS(=O)(=O)C3)C2)c1 ZINC001028563426 753149271 /nfs/dbraw/zinc/14/92/71/753149271.db2.gz IBNQGFGOPJUYNC-HNNXBMFYSA-N 1 1 347.440 0.541 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)C3CS(=O)(=O)C3)C2)c1 ZINC001028563426 753149272 /nfs/dbraw/zinc/14/92/72/753149272.db2.gz IBNQGFGOPJUYNC-HNNXBMFYSA-N 1 1 347.440 0.541 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000982658240 753231556 /nfs/dbraw/zinc/23/15/56/753231556.db2.gz UQELCGYEGBQOKO-STQMWFEESA-N 1 1 329.404 0.416 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1 ZINC001008065988 753264519 /nfs/dbraw/zinc/26/45/19/753264519.db2.gz QIWRGGYUUVTOOU-SWLSCSKDSA-N 1 1 343.431 0.805 20 30 ECEDMO CN1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001051493409 762199700 /nfs/dbraw/zinc/19/97/00/762199700.db2.gz JUGJFPYYOOAODK-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(-c3ccoc3)no2)C1 ZINC001051494493 762205223 /nfs/dbraw/zinc/20/52/23/762205223.db2.gz ISCKTJWARSGBPX-WCQYABFASA-N 1 1 345.359 0.806 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001008122151 753339453 /nfs/dbraw/zinc/33/94/53/753339453.db2.gz SLMKMCSDDNEMNY-AWEZNQCLSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nc2C)[C@@H]1C ZINC001088630981 753442606 /nfs/dbraw/zinc/44/26/06/753442606.db2.gz KXSPXILAZTUUNM-NJAFHUGGSA-N 1 1 343.475 0.905 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC000982739818 753450610 /nfs/dbraw/zinc/45/06/10/753450610.db2.gz QPTCPAHCMIDWLU-AWEZNQCLSA-N 1 1 344.415 0.728 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)n1 ZINC001008214257 753470614 /nfs/dbraw/zinc/47/06/14/753470614.db2.gz NTFJZJQPODPEKP-AWEZNQCLSA-N 1 1 325.376 0.476 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC001008214257 753470619 /nfs/dbraw/zinc/47/06/19/753470619.db2.gz NTFJZJQPODPEKP-AWEZNQCLSA-N 1 1 325.376 0.476 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098680568 753572958 /nfs/dbraw/zinc/57/29/58/753572958.db2.gz HJEUPKOLACXTBA-IRXDYDNUSA-N 1 1 344.463 0.505 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001101949038 753642905 /nfs/dbraw/zinc/64/29/05/753642905.db2.gz QPFWATDWZMXHMZ-HUUCEWRRSA-N 1 1 328.478 0.765 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3=COCCC3)[C@@H](O)C2)cc1 ZINC001083366835 753695683 /nfs/dbraw/zinc/69/56/83/753695683.db2.gz BGQYINSLTAMRND-SJORKVTESA-N 1 1 327.384 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3=COCCC3)[C@@H](O)C2)cc1 ZINC001083366835 753695688 /nfs/dbraw/zinc/69/56/88/753695688.db2.gz BGQYINSLTAMRND-SJORKVTESA-N 1 1 327.384 0.914 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CNC(=O)[C@H](C)CC)C2)nn1 ZINC001105374249 753750194 /nfs/dbraw/zinc/75/01/94/753750194.db2.gz QVZULPVSAFQYPX-GFCCVEGCSA-N 1 1 334.424 0.099 20 30 ECEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@@]2(C)C1 ZINC000982817856 753846550 /nfs/dbraw/zinc/84/65/50/753846550.db2.gz VTNVPSTVDWRTRN-QRQLOZEOSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001028605425 753905896 /nfs/dbraw/zinc/90/58/96/753905896.db2.gz TXUQNTPHSKZBFJ-BZUAXINKSA-N 1 1 330.432 0.959 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001028608892 753910973 /nfs/dbraw/zinc/91/09/73/753910973.db2.gz FBWDSXPDCSOKOB-NEPJUHHUSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001028608892 753910979 /nfs/dbraw/zinc/91/09/79/753910979.db2.gz FBWDSXPDCSOKOB-NEPJUHHUSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001008575048 753926966 /nfs/dbraw/zinc/92/69/66/753926966.db2.gz ONKNVFFGKCUBKI-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)N(C)C)CC2)cn1 ZINC000989512788 754064209 /nfs/dbraw/zinc/06/42/09/754064209.db2.gz TTYFGRWZLWWXCO-CQSZACIVSA-N 1 1 328.416 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H](C)C(=O)N(C)C)CC2)cn1 ZINC000989512788 754064214 /nfs/dbraw/zinc/06/42/14/754064214.db2.gz TTYFGRWZLWWXCO-CQSZACIVSA-N 1 1 328.416 0.688 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CCc3cnc[nH]3)C2)c[nH]1 ZINC000982892955 754104448 /nfs/dbraw/zinc/10/44/48/754104448.db2.gz IHLWQZNEADOLOX-GFCCVEGCSA-N 1 1 340.387 0.821 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCO[C@H](C[NH2+]Cc3ncccn3)C2)c1 ZINC001051523240 762273155 /nfs/dbraw/zinc/27/31/55/762273155.db2.gz AMWYQWRRDPQLMW-CYBMUJFWSA-N 1 1 326.360 0.307 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cncn2C)C1 ZINC000982922074 754204108 /nfs/dbraw/zinc/20/41/08/754204108.db2.gz JMJHNASPCAMBLV-CABCVRRESA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cncn2C)C1 ZINC000982922074 754204110 /nfs/dbraw/zinc/20/41/10/754204110.db2.gz JMJHNASPCAMBLV-CABCVRRESA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cncnc2)C1 ZINC000982923886 754208439 /nfs/dbraw/zinc/20/84/39/754208439.db2.gz SITDZTKPFNXNOQ-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cncnc2)C1 ZINC000982923886 754208445 /nfs/dbraw/zinc/20/84/45/754208445.db2.gz SITDZTKPFNXNOQ-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028649792 754224748 /nfs/dbraw/zinc/22/47/48/754224748.db2.gz JZUDOPWRSMDNOO-CYBMUJFWSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001028649792 754224752 /nfs/dbraw/zinc/22/47/52/754224752.db2.gz JZUDOPWRSMDNOO-CYBMUJFWSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001028649792 754224757 /nfs/dbraw/zinc/22/47/57/754224757.db2.gz JZUDOPWRSMDNOO-CYBMUJFWSA-N 1 1 340.387 0.937 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCO[C@H](C[NH2+]Cc3nccs3)C2)c1 ZINC001051524796 762276009 /nfs/dbraw/zinc/27/60/09/762276009.db2.gz XQMWGDFJXSWXTK-GFCCVEGCSA-N 1 1 331.401 0.974 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)Cn3cc[nH+]c3C)CC2)C1=O ZINC000989672851 754298349 /nfs/dbraw/zinc/29/83/49/754298349.db2.gz AWYZURYZZITBAO-INIZCTEOSA-N 1 1 345.447 0.513 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC000989730994 754359549 /nfs/dbraw/zinc/35/95/49/754359549.db2.gz SQGISJLMZUNESG-CJNGLKHVSA-N 1 1 338.415 0.513 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001008986472 754388766 /nfs/dbraw/zinc/38/87/66/754388766.db2.gz PFKMLEZSPUYEKK-ZIAGYGMSSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001008986472 754388771 /nfs/dbraw/zinc/38/87/71/754388771.db2.gz PFKMLEZSPUYEKK-ZIAGYGMSSA-N 1 1 331.420 0.320 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]CCn3cccn3)C[C@@H]2C)CC1 ZINC000989828774 754498469 /nfs/dbraw/zinc/49/84/69/754498469.db2.gz IPAWCURUHCIMRD-WMZOPIPTSA-N 1 1 343.475 0.807 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000983080425 754573941 /nfs/dbraw/zinc/57/39/41/754573941.db2.gz ZFLOOWXLUWDZLD-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000983080425 754573943 /nfs/dbraw/zinc/57/39/43/754573943.db2.gz ZFLOOWXLUWDZLD-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 ZINC001105872926 762317842 /nfs/dbraw/zinc/31/78/42/762317842.db2.gz FVZCOXAKPDBJPN-GJZGRUSLSA-N 1 1 346.435 0.420 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]21 ZINC001009191006 754633884 /nfs/dbraw/zinc/63/38/84/754633884.db2.gz NGOREKNXBGDQFR-JNNCMOEMSA-N 1 1 329.444 0.561 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]21 ZINC001009191006 754633889 /nfs/dbraw/zinc/63/38/89/754633889.db2.gz NGOREKNXBGDQFR-JNNCMOEMSA-N 1 1 329.444 0.561 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3ccncc3C#N)C2)C1 ZINC001060008258 754700066 /nfs/dbraw/zinc/70/00/66/754700066.db2.gz WVJBOPKHBWINAT-YOEHRIQHSA-N 1 1 343.431 0.356 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3ccncc3C#N)C2)C1 ZINC001060008258 754700069 /nfs/dbraw/zinc/70/00/69/754700069.db2.gz WVJBOPKHBWINAT-YOEHRIQHSA-N 1 1 343.431 0.356 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3ccncc3C#N)C2)C1 ZINC001060008255 754700514 /nfs/dbraw/zinc/70/05/14/754700514.db2.gz WVJBOPKHBWINAT-PBHICJAKSA-N 1 1 343.431 0.356 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3ccncc3C#N)C2)C1 ZINC001060008255 754700518 /nfs/dbraw/zinc/70/05/18/754700518.db2.gz WVJBOPKHBWINAT-PBHICJAKSA-N 1 1 343.431 0.356 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC001009243027 754701428 /nfs/dbraw/zinc/70/14/28/754701428.db2.gz HKNXYAXCNWNJPN-CVEARBPZSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC001009243027 754701430 /nfs/dbraw/zinc/70/14/30/754701430.db2.gz HKNXYAXCNWNJPN-CVEARBPZSA-N 1 1 326.400 0.917 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001009272658 754729311 /nfs/dbraw/zinc/72/93/11/754729311.db2.gz YSVITRDDTJFASG-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001009272658 754729316 /nfs/dbraw/zinc/72/93/16/754729316.db2.gz YSVITRDDTJFASG-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccncn2)C1 ZINC000983169114 754763251 /nfs/dbraw/zinc/76/32/51/754763251.db2.gz BRFHACJCZWGFNE-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccncn2)C1 ZINC000983169114 754763253 /nfs/dbraw/zinc/76/32/53/754763253.db2.gz BRFHACJCZWGFNE-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001028714748 754807811 /nfs/dbraw/zinc/80/78/11/754807811.db2.gz WOUDQZDHXNAXDT-CYBMUJFWSA-N 1 1 329.404 0.959 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001028715066 754810372 /nfs/dbraw/zinc/81/03/72/754810372.db2.gz ZDVJVDOXFMGETP-ZDUSSCGKSA-N 1 1 327.388 0.406 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)noc2C)C1 ZINC000990202185 754829146 /nfs/dbraw/zinc/82/91/46/754829146.db2.gz WCSJNMLSLMDUAI-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)noc2C)C1 ZINC000990202185 754829149 /nfs/dbraw/zinc/82/91/49/754829149.db2.gz WCSJNMLSLMDUAI-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)C1=O ZINC000990254803 754881445 /nfs/dbraw/zinc/88/14/45/754881445.db2.gz WVEBOPLEHUFJFZ-RLFYNMQTSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncccn3)C2)c[nH]1 ZINC001051562780 762344361 /nfs/dbraw/zinc/34/43/61/762344361.db2.gz KMUXNLNJTLAIOK-CQSZACIVSA-N 1 1 326.360 0.307 20 30 ECEDMO O=C(NC[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC1=O ZINC001028734990 754919415 /nfs/dbraw/zinc/91/94/15/754919415.db2.gz FKZXDACETVAYKP-DOTOQJQBSA-N 1 1 343.402 0.751 20 30 ECEDMO O=C(NC[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC1=O ZINC001028734992 754919862 /nfs/dbraw/zinc/91/98/62/754919862.db2.gz FKZXDACETVAYKP-RDJZCZTQSA-N 1 1 343.402 0.751 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)C1=O ZINC000990286407 754922570 /nfs/dbraw/zinc/92/25/70/754922570.db2.gz CVBWGHSFFOSGEU-DAYGRLMNSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001028735962 754923879 /nfs/dbraw/zinc/92/38/79/754923879.db2.gz UVPKCPZTPZAOQY-UKRRQHHQSA-N 1 1 344.390 0.772 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001028740816 754945497 /nfs/dbraw/zinc/94/54/97/754945497.db2.gz SPGAOSSXZZGUNY-BBRMVZONSA-N 1 1 341.415 0.520 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001028743840 754951981 /nfs/dbraw/zinc/95/19/81/754951981.db2.gz CYSOJJGKDQZWAC-GFCCVEGCSA-N 1 1 343.366 0.473 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001028745148 754952938 /nfs/dbraw/zinc/95/29/38/754952938.db2.gz VYPCABZKOJVZMG-LBPRGKRZSA-N 1 1 325.376 0.334 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccn(C)n3)C2)C1=O ZINC001009537572 754987064 /nfs/dbraw/zinc/98/70/64/754987064.db2.gz NRSNMMZTDYPRKL-HIFRSBDPSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccn(C)n3)C2)C1=O ZINC001009537572 754987071 /nfs/dbraw/zinc/98/70/71/754987071.db2.gz NRSNMMZTDYPRKL-HIFRSBDPSA-N 1 1 331.420 0.401 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)c3c[nH]c(=O)cn3)C2)c1 ZINC001028767296 755041245 /nfs/dbraw/zinc/04/12/45/755041245.db2.gz CBBYFTTVRRFTPE-HNNXBMFYSA-N 1 1 337.383 0.893 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC001075948974 755054434 /nfs/dbraw/zinc/05/44/34/755054434.db2.gz RSOLTTACXIGANU-GOEBONIOSA-N 1 1 326.400 0.279 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)cc1 ZINC001028773718 755061807 /nfs/dbraw/zinc/06/18/07/755061807.db2.gz OFFNMXYLLFWYDP-CABCVRRESA-N 1 1 327.388 0.178 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001009639071 755107860 /nfs/dbraw/zinc/10/78/60/755107860.db2.gz VFAAUCSSNDPXBR-ZDUSSCGKSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3n[nH]cc3F)C2)C1=O ZINC001028783812 755117555 /nfs/dbraw/zinc/11/75/55/755117555.db2.gz HBNWUFRJFMAEGR-AAEUAGOBSA-N 1 1 335.383 0.387 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNc3nccnc3C#N)C2)C1 ZINC001060034247 755155689 /nfs/dbraw/zinc/15/56/89/755155689.db2.gz DECGZAHKKHGWOH-KBPBESRZSA-N 1 1 328.420 0.950 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001028805229 755182927 /nfs/dbraw/zinc/18/29/27/755182927.db2.gz KTUBYTWLRZPLGY-CFVMTHIKSA-N 1 1 344.390 0.757 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCn2nc(C)nc2C)C1 ZINC001028809056 755197934 /nfs/dbraw/zinc/19/79/34/755197934.db2.gz JYLZXIGHEGJHNL-ZACQAIPSSA-N 1 1 347.463 0.924 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001028809130 755198223 /nfs/dbraw/zinc/19/82/23/755198223.db2.gz KOHBZZFRMJDJKC-IMJJTQAJSA-N 1 1 333.436 0.827 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001028809130 755198227 /nfs/dbraw/zinc/19/82/27/755198227.db2.gz KOHBZZFRMJDJKC-IMJJTQAJSA-N 1 1 333.436 0.827 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001028852116 755309545 /nfs/dbraw/zinc/30/95/45/755309545.db2.gz FTFOZUHEWAAABD-AWEZNQCLSA-N 1 1 343.435 0.758 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001028852104 755309875 /nfs/dbraw/zinc/30/98/75/755309875.db2.gz FIPMPJKFWOBYJT-STQMWFEESA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)nn1 ZINC001028852083 755310373 /nfs/dbraw/zinc/31/03/73/755310373.db2.gz FEFBYMRBHOZZSN-GJZGRUSLSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3cc(OC)no3)C2)nn1 ZINC001028852233 755310385 /nfs/dbraw/zinc/31/03/85/755310385.db2.gz GSRLLFINDMVQSU-GFCCVEGCSA-N 1 1 346.391 0.713 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cc(OC)no3)C2)nn1 ZINC001028852233 755310387 /nfs/dbraw/zinc/31/03/87/755310387.db2.gz GSRLLFINDMVQSU-GFCCVEGCSA-N 1 1 346.391 0.713 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)nn1 ZINC001028857459 755322632 /nfs/dbraw/zinc/32/26/32/755322632.db2.gz IJALVDJFCSFZCE-LSDHHAIUSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](CCn3cncn3)C2)nn1 ZINC001028857769 755322737 /nfs/dbraw/zinc/32/27/37/755322737.db2.gz KKBQPJSYIWTGNH-CQSZACIVSA-N 1 1 344.423 0.198 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001028862535 755330509 /nfs/dbraw/zinc/33/05/09/755330509.db2.gz UTHBFWJCOJOLBU-BPUTZDHNSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001028862535 755330510 /nfs/dbraw/zinc/33/05/10/755330510.db2.gz UTHBFWJCOJOLBU-BPUTZDHNSA-N 1 1 333.436 0.734 20 30 ECEDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)C#CC(C)C)cc1 ZINC001126816158 755514174 /nfs/dbraw/zinc/51/41/74/755514174.db2.gz TZATYLFUJUSXPJ-UHFFFAOYSA-N 1 1 342.403 0.536 20 30 ECEDMO Cc1ccc(F)c(-n2nnnc2C[NH2+]CCNC(=O)C#CC(C)C)c1 ZINC001126823281 755555806 /nfs/dbraw/zinc/55/58/06/755555806.db2.gz SUQWRBHAIPVSHS-UHFFFAOYSA-N 1 1 344.394 0.975 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1 ZINC001075985846 755565454 /nfs/dbraw/zinc/56/54/54/755565454.db2.gz UAPDGGXODRVDOR-GOEBONIOSA-N 1 1 329.400 0.274 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)COCCCC ZINC001075988519 755569471 /nfs/dbraw/zinc/56/94/71/755569471.db2.gz RESWRCBHNOZFJO-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)COCCCC ZINC001075988519 755569473 /nfs/dbraw/zinc/56/94/73/755569473.db2.gz RESWRCBHNOZFJO-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncn[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105667327 755614614 /nfs/dbraw/zinc/61/46/14/755614614.db2.gz QPBPUNCGVJHKQC-DTDBQYNISA-N 1 1 345.447 0.337 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)[C@@H](O)C1 ZINC001083483968 755643287 /nfs/dbraw/zinc/64/32/87/755643287.db2.gz PDKBEXTWSMZLMT-OAGGEKHMSA-N 1 1 335.448 0.372 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)c1 ZINC000990699115 755646253 /nfs/dbraw/zinc/64/62/53/755646253.db2.gz MABUKUWPJJUUEB-ZFWWWQNUSA-N 1 1 341.415 0.701 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990702437 755649747 /nfs/dbraw/zinc/64/97/47/755649747.db2.gz BARRQDXRWQYZHA-TXEJJXNPSA-N 1 1 329.404 0.700 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@H]1C ZINC001088791773 755702346 /nfs/dbraw/zinc/70/23/46/755702346.db2.gz BADZQTHOFWVPGT-CABCVRRESA-N 1 1 330.436 0.935 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088793408 755707541 /nfs/dbraw/zinc/70/75/41/755707541.db2.gz GJMHHJCRLACRFP-HONMWMINSA-N 1 1 332.429 0.835 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088793408 755707542 /nfs/dbraw/zinc/70/75/42/755707542.db2.gz GJMHHJCRLACRFP-HONMWMINSA-N 1 1 332.429 0.835 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2cccc3OC)[C@@H](O)C1 ZINC001083501331 755743401 /nfs/dbraw/zinc/74/34/01/755743401.db2.gz IDRBQRFUMWYOLC-HIFRSBDPSA-N 1 1 328.372 0.141 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(NC(=O)CC)c2)[C@@H](O)C1 ZINC001083502484 755747810 /nfs/dbraw/zinc/74/78/10/755747810.db2.gz IKHUTCIRHXQZNE-CVEARBPZSA-N 1 1 329.400 0.833 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(NC(=O)CC)c2)[C@@H](O)C1 ZINC001083502484 755747814 /nfs/dbraw/zinc/74/78/14/755747814.db2.gz IKHUTCIRHXQZNE-CVEARBPZSA-N 1 1 329.400 0.833 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000990722382 755758936 /nfs/dbraw/zinc/75/89/36/755758936.db2.gz MUJRNAQYUSBSBQ-AAEUAGOBSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083526032 755918852 /nfs/dbraw/zinc/91/88/52/755918852.db2.gz XYTOCXUQYJFLJC-INMHGKMJSA-N 1 1 333.432 0.876 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1O ZINC001083537295 755980670 /nfs/dbraw/zinc/98/06/70/755980670.db2.gz MXOXXPORPFJLIZ-SQNIBIBYSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)c3ccccc32)[C@@H](O)C1 ZINC001083538241 755986502 /nfs/dbraw/zinc/98/65/02/755986502.db2.gz OZEGQPAPCKGELN-NUJGCVRESA-N 1 1 327.428 0.795 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001010321780 755994220 /nfs/dbraw/zinc/99/42/20/755994220.db2.gz COFRIYDEYAICNS-ZFWWWQNUSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001010321780 755994223 /nfs/dbraw/zinc/99/42/23/755994223.db2.gz COFRIYDEYAICNS-ZFWWWQNUSA-N 1 1 329.404 0.376 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001076028694 756017526 /nfs/dbraw/zinc/01/75/26/756017526.db2.gz KTTLGGJEGCOXFU-WMLDXEAASA-N 1 1 343.427 0.623 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001076028694 756017531 /nfs/dbraw/zinc/01/75/31/756017531.db2.gz KTTLGGJEGCOXFU-WMLDXEAASA-N 1 1 343.427 0.623 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001076074001 756059127 /nfs/dbraw/zinc/05/91/27/756059127.db2.gz KCQSXMFFRGPIPJ-YWPYICTPSA-N 1 1 347.419 0.230 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001076074001 756059133 /nfs/dbraw/zinc/05/91/33/756059133.db2.gz KCQSXMFFRGPIPJ-YWPYICTPSA-N 1 1 347.419 0.230 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001076074124 756059401 /nfs/dbraw/zinc/05/94/01/756059401.db2.gz NEZRMGHAERQTDA-STQMWFEESA-N 1 1 331.420 0.853 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(F)nc3)C2)C1=O ZINC001010384155 756068302 /nfs/dbraw/zinc/06/83/02/756068302.db2.gz KCTAXGXTVWOUCA-ZIAGYGMSSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(F)nc3)C2)C1=O ZINC001010384155 756068308 /nfs/dbraw/zinc/06/83/08/756068308.db2.gz KCTAXGXTVWOUCA-ZIAGYGMSSA-N 1 1 332.379 0.812 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)cc1 ZINC001076119458 756099646 /nfs/dbraw/zinc/09/96/46/756099646.db2.gz LQVFCCSYPLGOPH-XOKHGSTOSA-N 1 1 325.412 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)cc1 ZINC001076119458 756099650 /nfs/dbraw/zinc/09/96/50/756099650.db2.gz LQVFCCSYPLGOPH-XOKHGSTOSA-N 1 1 325.412 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4cnoc4)[C@@H]3C2)C1=O ZINC001076163838 756169370 /nfs/dbraw/zinc/16/93/70/756169370.db2.gz TUEXABSLSRIJHF-ARFHVFGLSA-N 1 1 344.415 0.537 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c1 ZINC001010479933 756170200 /nfs/dbraw/zinc/17/02/00/756170200.db2.gz RXILGKOABYCFOB-OLZOCXBDSA-N 1 1 325.376 0.469 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)[C@@H]3C2)c1 ZINC001076186427 756188010 /nfs/dbraw/zinc/18/80/10/756188010.db2.gz DWSHOMOGVGQWJC-DOTOQJQBSA-N 1 1 349.394 0.988 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)s1 ZINC001010547128 756227144 /nfs/dbraw/zinc/22/71/44/756227144.db2.gz SLMWAGLKVKUUHW-RYUDHWBXSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)s1 ZINC001010547128 756227148 /nfs/dbraw/zinc/22/71/48/756227148.db2.gz SLMWAGLKVKUUHW-RYUDHWBXSA-N 1 1 332.429 0.836 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076248727 756266859 /nfs/dbraw/zinc/26/68/59/756266859.db2.gz APWZHUJTIGGKSX-XWTMOSNGSA-N 1 1 337.423 0.692 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076248727 756266861 /nfs/dbraw/zinc/26/68/61/756266861.db2.gz APWZHUJTIGGKSX-XWTMOSNGSA-N 1 1 337.423 0.692 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1=CCOCC1 ZINC001076250609 756287187 /nfs/dbraw/zinc/28/71/87/756287187.db2.gz ROFKXEREEJTDRC-HOCLYGCPSA-N 1 1 333.432 0.442 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1=CCOCC1 ZINC001076250609 756287192 /nfs/dbraw/zinc/28/71/92/756287192.db2.gz ROFKXEREEJTDRC-HOCLYGCPSA-N 1 1 333.432 0.442 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076263430 756300871 /nfs/dbraw/zinc/30/08/71/756300871.db2.gz AGEIWZYJLZPOQP-JJXSEGSLSA-N 1 1 331.420 0.402 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001076301746 756332804 /nfs/dbraw/zinc/33/28/04/756332804.db2.gz JEPVDHZYRMYRKQ-GRDNDAEWSA-N 1 1 325.453 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cncnc1 ZINC001076313944 756358641 /nfs/dbraw/zinc/35/86/41/756358641.db2.gz FAPZUZXAGNEFSE-HOCLYGCPSA-N 1 1 343.431 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cncnc1 ZINC001076313944 756358646 /nfs/dbraw/zinc/35/86/46/756358646.db2.gz FAPZUZXAGNEFSE-HOCLYGCPSA-N 1 1 343.431 0.128 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)s1 ZINC001010677046 756388151 /nfs/dbraw/zinc/38/81/51/756388151.db2.gz MFEIAEZNOCXCNL-SNVBAGLBSA-N 1 1 332.389 0.308 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)s1 ZINC001010677046 756388152 /nfs/dbraw/zinc/38/81/52/756388152.db2.gz MFEIAEZNOCXCNL-SNVBAGLBSA-N 1 1 332.389 0.308 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)C(F)F)C2 ZINC001010721379 756441891 /nfs/dbraw/zinc/44/18/91/756441891.db2.gz HKZPJSJJAXELIA-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)C(F)F)C2 ZINC001010721379 756441895 /nfs/dbraw/zinc/44/18/95/756441895.db2.gz HKZPJSJJAXELIA-ZDUSSCGKSA-N 1 1 339.386 0.800 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccncn4)[C@@H]3C2)C1=O ZINC001076376384 756443257 /nfs/dbraw/zinc/44/32/57/756443257.db2.gz ALJZBMCFYQKAPG-CWRNSKLLSA-N 1 1 341.415 0.410 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076412264 756483250 /nfs/dbraw/zinc/48/32/50/756483250.db2.gz XMNPUTNKBIRMRG-IJEWVQPXSA-N 1 1 331.420 0.647 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001010755411 756484055 /nfs/dbraw/zinc/48/40/55/756484055.db2.gz URJWCKQGWACNJL-CYBMUJFWSA-N 1 1 332.429 0.789 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001010755411 756484060 /nfs/dbraw/zinc/48/40/60/756484060.db2.gz URJWCKQGWACNJL-CYBMUJFWSA-N 1 1 332.429 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC1(O)CCC1 ZINC001076421336 756491715 /nfs/dbraw/zinc/49/17/15/756491715.db2.gz ISAVMTFXQMJMJL-GJZGRUSLSA-N 1 1 335.448 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC1(O)CCC1 ZINC001076421336 756491718 /nfs/dbraw/zinc/49/17/18/756491718.db2.gz ISAVMTFXQMJMJL-GJZGRUSLSA-N 1 1 335.448 0.400 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)ccn3C)C2)C1=O ZINC001010765603 756496929 /nfs/dbraw/zinc/49/69/29/756496929.db2.gz DPVYQBVBSIYMME-CABCVRRESA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)ccn3C)C2)C1=O ZINC001010765603 756496931 /nfs/dbraw/zinc/49/69/31/756496931.db2.gz DPVYQBVBSIYMME-CABCVRRESA-N 1 1 330.432 0.925 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)nc1 ZINC001076475968 756562399 /nfs/dbraw/zinc/56/23/99/756562399.db2.gz OMIAROVKDWUYNX-BHYGNILZSA-N 1 1 338.411 0.440 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)nc1 ZINC001076475819 756562452 /nfs/dbraw/zinc/56/24/52/756562452.db2.gz HDHTZYSENWSUAS-GOEBONIOSA-N 1 1 326.400 0.297 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)nc1 ZINC001076475819 756562455 /nfs/dbraw/zinc/56/24/55/756562455.db2.gz HDHTZYSENWSUAS-GOEBONIOSA-N 1 1 326.400 0.297 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)C[N@H+](C)CCC)nn1 ZINC001076576023 756673793 /nfs/dbraw/zinc/67/37/93/756673793.db2.gz RTQNUTHHHIGWFR-ZDUSSCGKSA-N 1 1 336.440 0.431 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010925503 756675071 /nfs/dbraw/zinc/67/50/71/756675071.db2.gz RKVYMBGSLQPONL-OCCSQVGLSA-N 1 1 329.404 0.368 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1c1cncc(C#N)n1 ZINC001060125275 756692140 /nfs/dbraw/zinc/69/21/40/756692140.db2.gz PLRDPJLFWHDXDQ-HUUCEWRRSA-N 1 1 328.420 0.918 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000990891917 756709645 /nfs/dbraw/zinc/70/96/45/756709645.db2.gz GJVPWWJZKBJLCP-UHFFFAOYSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)n2cccc2)CC1 ZINC001011014073 756768201 /nfs/dbraw/zinc/76/82/01/756768201.db2.gz PLHQEZWQMLQYGY-SJORKVTESA-N 1 1 342.443 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)n2cccc2)CC1 ZINC001011014073 756768205 /nfs/dbraw/zinc/76/82/05/756768205.db2.gz PLHQEZWQMLQYGY-SJORKVTESA-N 1 1 342.443 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011020421 756774540 /nfs/dbraw/zinc/77/45/40/756774540.db2.gz UUYDMHFXKSBPPN-INIZCTEOSA-N 1 1 339.399 0.268 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011020421 756774541 /nfs/dbraw/zinc/77/45/41/756774541.db2.gz UUYDMHFXKSBPPN-INIZCTEOSA-N 1 1 339.399 0.268 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCN(C(=O)CCc3cnc[nH]3)CC2)[nH]1 ZINC001011020412 756774862 /nfs/dbraw/zinc/77/48/62/756774862.db2.gz UHYZLRPWYYENOZ-UHFFFAOYSA-N 1 1 326.360 0.527 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@H]3C2)[nH]1 ZINC001048771356 756944647 /nfs/dbraw/zinc/94/46/47/756944647.db2.gz IKDFSAWMTNGNHD-BETUJISGSA-N 1 1 327.388 0.122 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)C1=O ZINC001048771440 756944772 /nfs/dbraw/zinc/94/47/72/756944772.db2.gz LMFDOVVLFXDNRO-DVOMOZLQSA-N 1 1 341.415 0.511 20 30 ECEDMO C[C@H](c1nncn1C)[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771872 756945635 /nfs/dbraw/zinc/94/56/35/756945635.db2.gz QAHWPOLQFXCGLI-UPJWGTAASA-N 1 1 339.403 0.780 20 30 ECEDMO C[C@H](c1nncn1C)[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771872 756945637 /nfs/dbraw/zinc/94/56/37/756945637.db2.gz QAHWPOLQFXCGLI-UPJWGTAASA-N 1 1 339.403 0.780 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771812 756945797 /nfs/dbraw/zinc/94/57/97/756945797.db2.gz PMYGGMIGIXIOIL-RWMBFGLXSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H](c1nncn1C)[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048779205 756966085 /nfs/dbraw/zinc/96/60/85/756966085.db2.gz QEAQKHZQNYHIPE-FPMFFAJLSA-N 1 1 339.403 0.780 20 30 ECEDMO C[C@@H](c1nncn1C)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048779205 756966095 /nfs/dbraw/zinc/96/60/95/756966095.db2.gz QEAQKHZQNYHIPE-FPMFFAJLSA-N 1 1 339.403 0.780 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)C#CC(C)(C)C)C1 ZINC001076770558 757036370 /nfs/dbraw/zinc/03/63/70/757036370.db2.gz WQLGZFPTSJDHSV-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)C#CC(C)(C)C)C1 ZINC001076770558 757036379 /nfs/dbraw/zinc/03/63/79/757036379.db2.gz WQLGZFPTSJDHSV-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C=CCOCCN1CC(n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107147293 757044601 /nfs/dbraw/zinc/04/46/01/757044601.db2.gz YBPHSVHCCVNJJM-MRXNPFEDSA-N 1 1 348.451 0.048 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nn1 ZINC001011155139 757047638 /nfs/dbraw/zinc/04/76/38/757047638.db2.gz CXAHAOUMSVUKCY-AWEZNQCLSA-N 1 1 346.435 0.090 20 30 ECEDMO COCCCCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 ZINC001107149603 757051307 /nfs/dbraw/zinc/05/13/07/757051307.db2.gz KJNBUPGOVKBEHF-ZDUSSCGKSA-N 1 1 334.424 0.727 20 30 ECEDMO CCO[C@H](C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1)C1CC1 ZINC001107149805 757053320 /nfs/dbraw/zinc/05/33/20/757053320.db2.gz RAWKVALPUHFSGO-BLLLJJGKSA-N 1 1 346.435 0.726 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nc1 ZINC001011159419 757063240 /nfs/dbraw/zinc/06/32/40/757063240.db2.gz VREWHCBNPNYZGQ-OAHLLOKOSA-N 1 1 326.400 0.299 20 30 ECEDMO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](CCC[C@H]3CCOC3)C2)nn1 ZINC001107149501 757085834 /nfs/dbraw/zinc/08/58/34/757085834.db2.gz HJYIFPAUOAJMIR-KBPBESRZSA-N 1 1 346.435 0.727 20 30 ECEDMO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](C[C@H]3CC(C)(C)CO3)C2)nn1 ZINC001107149482 757086587 /nfs/dbraw/zinc/08/65/87/757086587.db2.gz GVPXUHYKZKQJQK-IUODEOHRSA-N 1 1 346.435 0.726 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@H]2C1 ZINC001048818873 757097796 /nfs/dbraw/zinc/09/77/96/757097796.db2.gz VTMNSLRHXUXDKI-SOUVJXGZSA-N 1 1 343.431 0.729 20 30 ECEDMO CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048827970 757124210 /nfs/dbraw/zinc/12/42/10/757124210.db2.gz AWNPZGIKJFNILY-IKGGRYGDSA-N 1 1 347.459 0.304 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@@H]2C1 ZINC001048833677 757139042 /nfs/dbraw/zinc/13/90/42/757139042.db2.gz RRQTZZHAGOAPNQ-QXSJWSMHSA-N 1 1 339.867 0.992 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@@H]2C1 ZINC001048833677 757139048 /nfs/dbraw/zinc/13/90/48/757139048.db2.gz RRQTZZHAGOAPNQ-QXSJWSMHSA-N 1 1 339.867 0.992 20 30 ECEDMO C#CCCCC(=O)NCc1cn(C2C[NH+](C[C@H](CC)OC)C2)nn1 ZINC001107165115 757166808 /nfs/dbraw/zinc/16/68/08/757166808.db2.gz OGMISGJOEJCYMQ-INIZCTEOSA-N 1 1 333.436 0.980 20 30 ECEDMO O=C(C#CC1CC1)NCc1cn(C2C[NH+](CC[C@H]3CCCO3)C2)nn1 ZINC001107169468 757207189 /nfs/dbraw/zinc/20/71/89/757207189.db2.gz JUMPMHQQMXGLAH-QGZVFWFLSA-N 1 1 343.431 0.734 20 30 ECEDMO C#CCOCCC(=O)NCc1cn(C2C[NH+](C[C@@H](CC)OC)C2)nn1 ZINC001107171357 757218829 /nfs/dbraw/zinc/21/88/29/757218829.db2.gz UXBMWMJYOQIXEK-MRXNPFEDSA-N 1 1 349.435 0.216 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@H]2C1 ZINC001048867859 757232819 /nfs/dbraw/zinc/23/28/19/757232819.db2.gz HBURYADVFQGMDK-RVKKMQEKSA-N 1 1 337.423 0.927 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O ZINC001076812417 757255507 /nfs/dbraw/zinc/25/55/07/757255507.db2.gz GPGYEXNOJSYOOZ-FGTMMUONSA-N 1 1 327.428 0.294 20 30 ECEDMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)[nH]1 ZINC001076813794 757263514 /nfs/dbraw/zinc/26/35/14/757263514.db2.gz ZQEIYSUPLYYRFV-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)[nH]1 ZINC001076813794 757263517 /nfs/dbraw/zinc/26/35/17/757263517.db2.gz ZQEIYSUPLYYRFV-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)CC[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC001107180168 757298453 /nfs/dbraw/zinc/29/84/53/757298453.db2.gz FAENXQVUFPTGPP-INIZCTEOSA-N 1 1 344.463 0.649 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@H]2C1 ZINC001048893522 757317880 /nfs/dbraw/zinc/31/78/80/757317880.db2.gz FFLJQHKDVFESIM-OKILXGFUSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12 ZINC000991001912 757366262 /nfs/dbraw/zinc/36/62/62/757366262.db2.gz XZIVVFCODPJGHS-GDBMZVCRSA-N 1 1 339.461 0.158 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@H]12 ZINC000991001917 757366816 /nfs/dbraw/zinc/36/68/16/757366816.db2.gz XZIVVFCODPJGHS-HOCLYGCPSA-N 1 1 339.461 0.158 20 30 ECEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048913321 757384430 /nfs/dbraw/zinc/38/44/30/757384430.db2.gz YIAMMUYQCPDSJR-KKUMJFAQSA-N 1 1 337.464 0.571 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)CCc3c(C)nc[nH]c3=O)C[C@H]2C1 ZINC001048915634 757395817 /nfs/dbraw/zinc/39/58/17/757395817.db2.gz GGUGKBRJAVYBQZ-GASCZTMLSA-N 1 1 328.416 0.837 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000996332026 757396335 /nfs/dbraw/zinc/39/63/35/757396335.db2.gz WUXXJLAQXPPWMF-RDBSUJKOSA-N 1 1 333.436 0.733 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)cc1 ZINC001076872863 757403908 /nfs/dbraw/zinc/40/39/08/757403908.db2.gz WAQYFKXNKCUWEM-HZPDHXFCSA-N 1 1 338.367 0.634 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)cc1 ZINC001076872863 757403915 /nfs/dbraw/zinc/40/39/15/757403915.db2.gz WAQYFKXNKCUWEM-HZPDHXFCSA-N 1 1 338.367 0.634 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3ccc(=O)[nH]c3)nn2)C1 ZINC001107187842 757418126 /nfs/dbraw/zinc/41/81/26/757418126.db2.gz KHQVSQGXDGYRTI-UHFFFAOYSA-N 1 1 342.403 0.670 20 30 ECEDMO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001048941174 757475144 /nfs/dbraw/zinc/47/51/44/757475144.db2.gz KZJYPALTFPPJIR-GJZGRUSLSA-N 1 1 334.420 0.578 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)[nH]1 ZINC001076898289 757517069 /nfs/dbraw/zinc/51/70/69/757517069.db2.gz BUMNHTDIDLXRCL-HZPDHXFCSA-N 1 1 332.404 0.478 20 30 ECEDMO CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001076907305 757563287 /nfs/dbraw/zinc/56/32/87/757563287.db2.gz JQIUMNXZWYADRN-HZPDHXFCSA-N 1 1 342.403 0.120 20 30 ECEDMO CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001076907305 757563296 /nfs/dbraw/zinc/56/32/96/757563296.db2.gz JQIUMNXZWYADRN-HZPDHXFCSA-N 1 1 342.403 0.120 20 30 ECEDMO Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001076907549 757565570 /nfs/dbraw/zinc/56/55/70/757565570.db2.gz SPTOCLOWMDWWCA-HZPDHXFCSA-N 1 1 342.403 0.175 20 30 ECEDMO Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001076907549 757565573 /nfs/dbraw/zinc/56/55/73/757565573.db2.gz SPTOCLOWMDWWCA-HZPDHXFCSA-N 1 1 342.403 0.175 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000996438429 757600677 /nfs/dbraw/zinc/60/06/77/757600677.db2.gz ZQDRNEAGLVWYNZ-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(CCOC)nn2)C1 ZINC001021583871 757640054 /nfs/dbraw/zinc/64/00/54/757640054.db2.gz IJJHRVOHJTWZLA-ZBFHGGJFSA-N 1 1 331.420 0.484 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021608030 757680740 /nfs/dbraw/zinc/68/07/40/757680740.db2.gz ZFISHMXYTMCTQI-HOTGVXAUSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001021613113 757685953 /nfs/dbraw/zinc/68/59/53/757685953.db2.gz IRHSRDUBHJFKLV-NVXWUHKLSA-N 1 1 340.427 0.669 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ccc(C#N)cn2)C1 ZINC001107211790 757702801 /nfs/dbraw/zinc/70/28/01/757702801.db2.gz ZEDXIYIOZDATFK-JZIMQPMSSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ccc(C#N)cn2)C1 ZINC001107211790 757702808 /nfs/dbraw/zinc/70/28/08/757702808.db2.gz ZEDXIYIOZDATFK-JZIMQPMSSA-N 1 1 329.404 0.758 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCCNC2=O)C1 ZINC001021625070 757704536 /nfs/dbraw/zinc/70/45/36/757704536.db2.gz NKMAZVBQGNRANS-HZPDHXFCSA-N 1 1 332.448 0.738 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021632061 757713459 /nfs/dbraw/zinc/71/34/59/757713459.db2.gz FTSLIIJMUBLTQA-HOTGVXAUSA-N 1 1 347.463 0.861 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019759 757713797 /nfs/dbraw/zinc/71/37/97/757713797.db2.gz WBXSWIZDHQHDAG-OWCLPIDISA-N 1 1 339.399 0.130 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001049021962 757720093 /nfs/dbraw/zinc/72/00/93/757720093.db2.gz GSWOHHYFHGMBLG-IYBDPMFKSA-N 1 1 338.411 0.714 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001021653233 757742907 /nfs/dbraw/zinc/74/29/07/757742907.db2.gz VWOVGQFHMSVYHK-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)[C@H]3CCC(=O)N3)nn2)C1 ZINC001107212106 757744115 /nfs/dbraw/zinc/74/41/15/757744115.db2.gz OFHZSAQCWMRNOS-SWLSCSKDSA-N 1 1 346.435 0.242 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(=O)NC)CC[C@@H]32)c1 ZINC001021668514 757763109 /nfs/dbraw/zinc/76/31/09/757763109.db2.gz ONMZCBMCUHQTDI-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]3C2)c1 ZINC001049047717 757774546 /nfs/dbraw/zinc/77/45/46/757774546.db2.gz RUZYWUAPVJSVEJ-XHSDSOJGSA-N 1 1 326.400 0.331 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@H]2C1 ZINC001049058083 757812454 /nfs/dbraw/zinc/81/24/54/757812454.db2.gz VXAMSRUGHQMFRW-GASCZTMLSA-N 1 1 342.443 0.550 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC/C=C/CNc1ccnc(C#N)n1 ZINC001107219786 757837768 /nfs/dbraw/zinc/83/77/68/757837768.db2.gz YHSSNYBGHOKRJN-ISANGGDFSA-N 1 1 328.420 0.727 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021712308 757847548 /nfs/dbraw/zinc/84/75/48/757847548.db2.gz IKGVBPSIKKUELA-GJZGRUSLSA-N 1 1 346.431 0.265 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021732697 757878236 /nfs/dbraw/zinc/87/82/36/757878236.db2.gz GVJZZIDHLXTMBF-GXTWGEPZSA-N 1 1 330.388 0.046 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]2C1 ZINC001049093070 757943261 /nfs/dbraw/zinc/94/32/61/757943261.db2.gz UJBQRUIPYHZQPC-GASCZTMLSA-N 1 1 326.462 0.778 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001077019805 757951359 /nfs/dbraw/zinc/95/13/59/757951359.db2.gz CTBOUJREVUPHKD-GUYCJALGSA-N 1 1 325.453 0.809 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)o4)C[C@@H]3C2)nn1 ZINC001049103651 757965961 /nfs/dbraw/zinc/96/59/61/757965961.db2.gz RQDZGDGZGLDGLP-BETUJISGSA-N 1 1 343.391 0.360 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)o4)C[C@@H]3C2)nn1 ZINC001049103651 757965965 /nfs/dbraw/zinc/96/59/65/757965965.db2.gz RQDZGDGZGLDGLP-BETUJISGSA-N 1 1 343.391 0.360 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]2C1 ZINC001049111258 757986575 /nfs/dbraw/zinc/98/65/75/757986575.db2.gz MQDUCGXRWIQUIU-NPJQDHAYSA-N 1 1 335.448 0.622 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@H]2C1 ZINC001049113285 757997012 /nfs/dbraw/zinc/99/70/12/757997012.db2.gz MAKVOLDUHFXYAX-ZJPYXAASSA-N 1 1 342.443 0.702 20 30 ECEDMO CC(C)OCCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101133721 758009430 /nfs/dbraw/zinc/00/94/30/758009430.db2.gz PXILHENBGHMRHS-PBHICJAKSA-N 1 1 336.436 0.222 20 30 ECEDMO CC(C)OCCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101133721 758009442 /nfs/dbraw/zinc/00/94/42/758009442.db2.gz PXILHENBGHMRHS-PBHICJAKSA-N 1 1 336.436 0.222 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001011578992 758053239 /nfs/dbraw/zinc/05/32/39/758053239.db2.gz AVRPZMCEJGDAIB-ZDUSSCGKSA-N 1 1 329.404 0.592 20 30 ECEDMO N#Cc1ccc(NC/C=C/CNC(=O)CC[NH+]2CCOCC2)nc1 ZINC001107254456 758054012 /nfs/dbraw/zinc/05/40/12/758054012.db2.gz UBWLDUKVFHSONN-OWOJBTEDSA-N 1 1 329.404 0.760 20 30 ECEDMO Cc1cc(NC/C=C\CNC(=O)CC[NH+]2CCOCC2)c(C#N)cn1 ZINC001107254246 758054349 /nfs/dbraw/zinc/05/43/49/758054349.db2.gz RWHIGVJZMRBADQ-IHWYPQMZSA-N 1 1 343.431 0.490 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001077084504 758118831 /nfs/dbraw/zinc/11/88/31/758118831.db2.gz SIAHKGIYBRWFHC-NUEKZKHPSA-N 1 1 337.464 0.761 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@H]2C1 ZINC001049145813 758121447 /nfs/dbraw/zinc/12/14/47/758121447.db2.gz VKZKVHKVABVKRK-OKILXGFUSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C2)CCC1 ZINC001049149231 758129168 /nfs/dbraw/zinc/12/91/68/758129168.db2.gz CTETWOUDTAUNJI-HOTGVXAUSA-N 1 1 349.475 0.552 20 30 ECEDMO COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12 ZINC001107290959 758185895 /nfs/dbraw/zinc/18/58/95/758185895.db2.gz FKJGXEPXDQZBLJ-IIAWOOMASA-N 1 1 341.477 0.611 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]2C1 ZINC001049169340 758204199 /nfs/dbraw/zinc/20/41/99/758204199.db2.gz MXXOPMHDNJVWQX-PHIMTYICSA-N 1 1 334.376 0.476 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC001011660734 758232674 /nfs/dbraw/zinc/23/26/74/758232674.db2.gz CIXSEYWHKKJVNN-TZMCWYRMSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1coc(CC)n1 ZINC001077123741 758249577 /nfs/dbraw/zinc/24/95/77/758249577.db2.gz BAMVPXDUCFITTO-ZFWWWQNUSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1coc(CC)n1 ZINC001077123741 758249589 /nfs/dbraw/zinc/24/95/89/758249589.db2.gz BAMVPXDUCFITTO-ZFWWWQNUSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ocnc1C ZINC001077123890 758250810 /nfs/dbraw/zinc/25/08/10/758250810.db2.gz DYLNQNGKCYVMHB-JSGCOSHPSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ocnc1C ZINC001077123890 758250820 /nfs/dbraw/zinc/25/08/20/758250820.db2.gz DYLNQNGKCYVMHB-JSGCOSHPSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cncnc1 ZINC001077124019 758251745 /nfs/dbraw/zinc/25/17/45/758251745.db2.gz JWDVGGYEHIALCM-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cncnc1 ZINC001077124019 758251747 /nfs/dbraw/zinc/25/17/47/758251747.db2.gz JWDVGGYEHIALCM-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001011669696 758259554 /nfs/dbraw/zinc/25/95/54/758259554.db2.gz SLPWEEGQPDAFTO-XHDPSFHLSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001077128771 758266714 /nfs/dbraw/zinc/26/67/14/758266714.db2.gz DGCNXTMUHPOOFR-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCCOCC ZINC001077124551 758284022 /nfs/dbraw/zinc/28/40/22/758284022.db2.gz XLLMARNHSNBEFY-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCCOCC ZINC001077124551 758284031 /nfs/dbraw/zinc/28/40/31/758284031.db2.gz XLLMARNHSNBEFY-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](CC)OCC ZINC001077124417 758284665 /nfs/dbraw/zinc/28/46/65/758284665.db2.gz VJDCJPHYHYHHFJ-HRCADAONSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](CC)OCC ZINC001077124417 758284669 /nfs/dbraw/zinc/28/46/69/758284669.db2.gz VJDCJPHYHYHHFJ-HRCADAONSA-N 1 1 337.464 0.910 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077138339 758294703 /nfs/dbraw/zinc/29/47/03/758294703.db2.gz DOPOGCKXEIRNQW-BFYDXBDKSA-N 1 1 333.432 0.876 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001077139100 758295254 /nfs/dbraw/zinc/29/52/54/758295254.db2.gz XKRZCZYDBKQWSW-HUUCEWRRSA-N 1 1 345.399 0.759 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001077133316 758301168 /nfs/dbraw/zinc/30/11/68/758301168.db2.gz MCFLGUFKHONRKK-VXGBXAGGSA-N 1 1 346.387 0.978 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(=O)n(CCC)n3)C[C@H]2C1 ZINC001049209814 758316362 /nfs/dbraw/zinc/31/63/62/758316362.db2.gz JRTNPMQICDSCLC-GASCZTMLSA-N 1 1 328.416 0.680 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cscn2)C1 ZINC001051660520 762618429 /nfs/dbraw/zinc/61/84/29/762618429.db2.gz VULDLWYFEGTTCE-HOTGVXAUSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nocc2C)C1 ZINC001051660534 762618450 /nfs/dbraw/zinc/61/84/50/762618450.db2.gz WCUZUTKDTDNSLF-WBVHZDCISA-N 1 1 346.431 0.398 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccon1)CC2 ZINC001107366879 758379448 /nfs/dbraw/zinc/37/94/48/758379448.db2.gz XNFFATBOULQTLP-CRAIPNDOSA-N 1 1 344.415 0.675 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccon1)CC2 ZINC001107366879 758379460 /nfs/dbraw/zinc/37/94/60/758379460.db2.gz XNFFATBOULQTLP-CRAIPNDOSA-N 1 1 344.415 0.675 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cn(C)nn3)CCC[C@@H]12 ZINC001107388930 758415003 /nfs/dbraw/zinc/41/50/03/758415003.db2.gz CHFOQOOZSOUFRB-NVXWUHKLSA-N 1 1 331.420 0.439 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C#CC(C)C)CCC[C@@H]12 ZINC001107393343 758450598 /nfs/dbraw/zinc/45/05/98/758450598.db2.gz LBTZHFBCPHGYAI-VQIMIIECSA-N 1 1 329.444 0.756 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC/C=C\CNc2cncc(C#N)n2)no1 ZINC001107402004 758472090 /nfs/dbraw/zinc/47/20/90/758472090.db2.gz ALFAIKQOFXWVJT-ARJAWSKDSA-N 1 1 341.375 0.796 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2ccnn2)C1 ZINC001077195697 758482573 /nfs/dbraw/zinc/48/25/73/758482573.db2.gz KGWJDDGVPRDRIP-DGCLKSJQSA-N 1 1 333.417 0.680 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCNC(=O)COC)CCC[C@@H]12 ZINC001107426825 758537613 /nfs/dbraw/zinc/53/76/13/758537613.db2.gz WLYWJHCECLHFCB-CRAIPNDOSA-N 1 1 335.448 0.523 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001011773611 758542952 /nfs/dbraw/zinc/54/29/52/758542952.db2.gz YVMJPJOYMQFYOK-IAQYHMDHSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCNS(C)(=O)=O)CCC[C@@H]12 ZINC001107429265 758546286 /nfs/dbraw/zinc/54/62/86/758546286.db2.gz DTLPNPKAKCOBSP-GDBMZVCRSA-N 1 1 341.477 0.310 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001077232285 758558272 /nfs/dbraw/zinc/55/82/72/758558272.db2.gz FOYIZDHPKMPCJO-KKOKHZNYSA-N 1 1 338.326 0.070 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001077232285 758558275 /nfs/dbraw/zinc/55/82/75/758558275.db2.gz FOYIZDHPKMPCJO-KKOKHZNYSA-N 1 1 338.326 0.070 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O ZINC001077237612 758572854 /nfs/dbraw/zinc/57/28/54/758572854.db2.gz MPMYVGBPUKPNCM-GUDVDZBRSA-N 1 1 341.455 0.684 20 30 ECEDMO N#Cc1ccccc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127777664 758599896 /nfs/dbraw/zinc/59/98/96/758599896.db2.gz APUMDVXBOIBLDX-SJORKVTESA-N 1 1 328.416 0.627 20 30 ECEDMO N#Cc1ccccc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127777664 758599905 /nfs/dbraw/zinc/59/99/05/758599905.db2.gz APUMDVXBOIBLDX-SJORKVTESA-N 1 1 328.416 0.627 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(N)=O ZINC001049381166 758600865 /nfs/dbraw/zinc/60/08/65/758600865.db2.gz GUXPVQRSIIWZPD-CVEARBPZSA-N 1 1 326.400 0.999 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CCCC[N@H+]2C)nn1 ZINC001077254817 758607009 /nfs/dbraw/zinc/60/70/09/758607009.db2.gz KPNCBKIFHRVTIV-DZGCQCFKSA-N 1 1 348.451 0.573 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001077265857 758643405 /nfs/dbraw/zinc/64/34/05/758643405.db2.gz KJBPUWHCDPRNQS-ZIAGYGMSSA-N 1 1 329.404 0.697 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001077265857 758643407 /nfs/dbraw/zinc/64/34/07/758643407.db2.gz KJBPUWHCDPRNQS-ZIAGYGMSSA-N 1 1 329.404 0.697 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)C1 ZINC001077275032 758664751 /nfs/dbraw/zinc/66/47/51/758664751.db2.gz OEMBXYKZPPSGPH-KBRIMQKVSA-N 1 1 330.432 0.961 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CCn3ncn(C)c3=O)CCC[C@@H]12 ZINC001107486361 758721980 /nfs/dbraw/zinc/72/19/80/758721980.db2.gz CFMZQUSMDDTQSX-RHSMWYFYSA-N 1 1 333.436 0.519 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCNC3=O)CCC[C@@H]12 ZINC001107494866 758749321 /nfs/dbraw/zinc/74/93/21/758749321.db2.gz DBBBQBNZWXDIGU-HDMKZQKVSA-N 1 1 333.432 0.133 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnco3)CCC[C@@H]12 ZINC001107488985 758756170 /nfs/dbraw/zinc/75/61/70/758756170.db2.gz GQOIQMXSOIBESC-RHSMWYFYSA-N 1 1 330.388 0.398 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001049483280 758793982 /nfs/dbraw/zinc/79/39/82/758793982.db2.gz UQCBIBJPFVTAIN-KBPBESRZSA-N 1 1 346.435 0.409 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083573448 758835507 /nfs/dbraw/zinc/83/55/07/758835507.db2.gz JHDKHGLGAYUFAN-KURKYZTESA-N 1 1 342.443 0.704 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#N ZINC001049516316 758840760 /nfs/dbraw/zinc/84/07/60/758840760.db2.gz BQVLPPUIJHCSKK-OWCLPIDISA-N 1 1 330.436 0.402 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)cc1F ZINC001014429554 762667280 /nfs/dbraw/zinc/66/72/80/762667280.db2.gz OKZIHWVKUQSVNO-ZDUSSCGKSA-N 1 1 329.339 0.075 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)cc1F ZINC001014429554 762667284 /nfs/dbraw/zinc/66/72/84/762667284.db2.gz OKZIHWVKUQSVNO-ZDUSSCGKSA-N 1 1 329.339 0.075 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001049542194 758895938 /nfs/dbraw/zinc/89/59/38/758895938.db2.gz HBNSQDMNJSHWJB-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049543117 758899138 /nfs/dbraw/zinc/89/91/38/758899138.db2.gz UDBQTAZVJRUKPG-GJZGRUSLSA-N 1 1 337.464 0.408 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001049557283 758918867 /nfs/dbraw/zinc/91/88/67/758918867.db2.gz FUCZTZVOOMOGEF-CHWSQXEVSA-N 1 1 337.401 0.239 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 ZINC001049559982 758922560 /nfs/dbraw/zinc/92/25/60/758922560.db2.gz YYBMTSZCFRYZDA-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001049564955 758929462 /nfs/dbraw/zinc/92/94/62/758929462.db2.gz QMXHMCZXQIUTHB-KBPBESRZSA-N 1 1 325.372 0.976 20 30 ECEDMO CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O ZINC001049565238 758930460 /nfs/dbraw/zinc/93/04/60/758930460.db2.gz JSIRDTZDPFJILB-HOTGVXAUSA-N 1 1 349.475 0.408 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nncn2CC1 ZINC001049605586 758983135 /nfs/dbraw/zinc/98/31/35/758983135.db2.gz PMFBLOFEGGOUPS-OWCLPIDISA-N 1 1 327.432 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1COCCN1CC(F)F ZINC001049611211 758991572 /nfs/dbraw/zinc/99/15/72/758991572.db2.gz FQFQLUHYDSBHCT-ZNMIVQPWSA-N 1 1 341.402 0.651 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC001049642940 759043395 /nfs/dbraw/zinc/04/33/95/759043395.db2.gz BQEYRIXSWLFDLV-UONOGXRCSA-N 1 1 348.447 0.816 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCS(=O)(=O)CC1 ZINC001049767850 759181588 /nfs/dbraw/zinc/18/15/88/759181588.db2.gz HMUQCOSXZCEJRY-CVEARBPZSA-N 1 1 338.473 0.900 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001049770798 759185482 /nfs/dbraw/zinc/18/54/82/759185482.db2.gz WPADBLSNBASQAP-LSDHHAIUSA-N 1 1 346.431 0.339 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-n2ccnc2)nn1 ZINC001049783385 759199769 /nfs/dbraw/zinc/19/97/69/759199769.db2.gz OYNQEMFXQUTTFO-HZPDHXFCSA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049791802 759215429 /nfs/dbraw/zinc/21/54/29/759215429.db2.gz ZJINJYXMBVSTBC-RYUDHWBXSA-N 1 1 340.811 0.356 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049791802 759215439 /nfs/dbraw/zinc/21/54/39/759215439.db2.gz ZJINJYXMBVSTBC-RYUDHWBXSA-N 1 1 340.811 0.356 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001049827080 759260864 /nfs/dbraw/zinc/26/08/64/759260864.db2.gz JHWOFRVFADBWHK-USXIJHARSA-N 1 1 343.431 0.627 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049827402 759262042 /nfs/dbraw/zinc/26/20/42/759262042.db2.gz VPGXFHLYSFRULC-ZIAGYGMSSA-N 1 1 348.447 0.958 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001049839822 759279681 /nfs/dbraw/zinc/27/96/81/759279681.db2.gz DIXSASVAELSBAZ-ZIAGYGMSSA-N 1 1 344.415 0.811 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001049839822 759279688 /nfs/dbraw/zinc/27/96/88/759279688.db2.gz DIXSASVAELSBAZ-ZIAGYGMSSA-N 1 1 344.415 0.811 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001049839779 759280023 /nfs/dbraw/zinc/28/00/23/759280023.db2.gz JYGUVIFNRXTEGV-RRQGHBQHSA-N 1 1 327.432 0.998 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 ZINC000991098722 759324315 /nfs/dbraw/zinc/32/43/15/759324315.db2.gz CLLMRHDBYAJWRK-ZIBATOQPSA-N 1 1 340.811 0.450 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 ZINC000991098722 759324325 /nfs/dbraw/zinc/32/43/25/759324325.db2.gz CLLMRHDBYAJWRK-ZIBATOQPSA-N 1 1 340.811 0.450 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001047630016 759345441 /nfs/dbraw/zinc/34/54/41/759345441.db2.gz JWKXJLPQXSQFIM-HOTGVXAUSA-N 1 1 340.383 0.476 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O ZINC001049886753 759351912 /nfs/dbraw/zinc/35/19/12/759351912.db2.gz UHSSPXKBZKJARX-GJZGRUSLSA-N 1 1 348.447 0.912 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1nc2ncccn2n1 ZINC001049890133 759355793 /nfs/dbraw/zinc/35/57/93/759355793.db2.gz KPVLPVKDTRNONB-GJZGRUSLSA-N 1 1 338.415 0.755 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001047637468 759369117 /nfs/dbraw/zinc/36/91/17/759369117.db2.gz YKBQPLYUXDPLHQ-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)COc1ccc(C(N)=O)cc1 ZINC001049898378 759376243 /nfs/dbraw/zinc/37/62/43/759376243.db2.gz BDXMNJRWJRYYRT-IRXDYDNUSA-N 1 1 341.411 0.863 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2nc(C)ccc2=O)C1 ZINC001089890096 759391082 /nfs/dbraw/zinc/39/10/82/759391082.db2.gz QOFDVAPNOOKRRI-QAETUUGQSA-N 1 1 342.443 0.907 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccnc1C(N)=O ZINC001049907929 759392673 /nfs/dbraw/zinc/39/26/73/759392673.db2.gz LMUUGOWFZFAQPN-HUUCEWRRSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccn(C)c1=O ZINC001089890267 759401846 /nfs/dbraw/zinc/40/18/46/759401846.db2.gz QZRWKCDFVXVRPP-SVGFKBNWSA-N 1 1 325.412 0.801 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccnc1C(N)=O)C2 ZINC001054242049 767857172 /nfs/dbraw/zinc/85/71/72/767857172.db2.gz DODCMPAKEXWYMI-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001047654100 759415680 /nfs/dbraw/zinc/41/56/80/759415680.db2.gz QRAPCBFGIIZGEA-GJZGRUSLSA-N 1 1 328.372 0.029 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001047654100 759415684 /nfs/dbraw/zinc/41/56/84/759415684.db2.gz QRAPCBFGIIZGEA-GJZGRUSLSA-N 1 1 328.372 0.029 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001054243081 767858596 /nfs/dbraw/zinc/85/85/96/767858596.db2.gz WNDOWLHLUTUULQ-GDBMZVCRSA-N 1 1 339.461 0.016 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CCN(CC(N)=O)C3)C2)CC1 ZINC001054245152 767860950 /nfs/dbraw/zinc/86/09/50/767860950.db2.gz PEDUSMBIQWMQMT-LJQANCHMSA-N 1 1 346.475 0.131 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047793191 759528559 /nfs/dbraw/zinc/52/85/59/759528559.db2.gz GUPWWACQCXCVMF-MNOVXSKESA-N 1 1 328.380 0.050 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001050046751 759611329 /nfs/dbraw/zinc/61/13/29/759611329.db2.gz IMCMNSZSGDHVPV-SQWLQELKSA-N 1 1 343.431 0.871 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3ccc(=O)n(C)c3=O)[C@@H]2C1 ZINC001050059539 759631355 /nfs/dbraw/zinc/63/13/55/759631355.db2.gz FUYQPOVGOZBHFI-LSDHHAIUSA-N 1 1 346.431 0.046 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001060209150 759646525 /nfs/dbraw/zinc/64/65/25/759646525.db2.gz CRKBMRFMGHAJCZ-ZFWWWQNUSA-N 1 1 345.403 0.136 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001060209150 759646529 /nfs/dbraw/zinc/64/65/29/759646529.db2.gz CRKBMRFMGHAJCZ-ZFWWWQNUSA-N 1 1 345.403 0.136 20 30 ECEDMO CN1C[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)CCC1=O ZINC001032208354 759659505 /nfs/dbraw/zinc/65/95/05/759659505.db2.gz VGSOPTODMUOUFL-QGZVFWFLSA-N 1 1 340.427 0.975 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001050081864 759670609 /nfs/dbraw/zinc/67/06/09/759670609.db2.gz WBMKNKJIXHAYGX-QWHCGFSZSA-N 1 1 339.827 0.257 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001050081864 759670615 /nfs/dbraw/zinc/67/06/15/759670615.db2.gz WBMKNKJIXHAYGX-QWHCGFSZSA-N 1 1 339.827 0.257 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001050095888 759693476 /nfs/dbraw/zinc/69/34/76/759693476.db2.gz CSUQOPACPHTJMU-HZMVEIRTSA-N 1 1 347.459 0.746 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050096895 759694781 /nfs/dbraw/zinc/69/47/81/759694781.db2.gz AUBGTUMXMZVVRX-KBPBESRZSA-N 1 1 340.493 0.938 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1 ZINC001050103066 759706749 /nfs/dbraw/zinc/70/67/49/759706749.db2.gz BJIYOBJJKRFUJO-XJKSGUPXSA-N 1 1 339.399 0.501 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1cccc(F)c1C#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125111117 759710128 /nfs/dbraw/zinc/71/01/28/759710128.db2.gz SALONKSJKAWEMH-KBPBESRZSA-N 1 1 348.422 0.905 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001050145576 759796350 /nfs/dbraw/zinc/79/63/50/759796350.db2.gz CPJKLMCTYKKSFZ-SOUVJXGZSA-N 1 1 330.436 0.734 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001050161161 759830474 /nfs/dbraw/zinc/83/04/74/759830474.db2.gz KAIIZMIEEBJZTN-DZGCQCFKSA-N 1 1 333.432 0.928 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)[C@@H]2C1 ZINC001050188664 759902788 /nfs/dbraw/zinc/90/27/88/759902788.db2.gz IZQSWYWFJWUCHG-JKSUJKDBSA-N 1 1 328.416 0.498 20 30 ECEDMO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C)c1nnnn1C ZINC000995649928 759935779 /nfs/dbraw/zinc/93/57/79/759935779.db2.gz MFFJYMSJEXOJHX-GXFFZTMASA-N 1 1 342.407 0.611 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@H]4CCCO4)[C@@H]3C2)C1=O ZINC001050208166 759942376 /nfs/dbraw/zinc/94/23/76/759942376.db2.gz DWCAHCRQAKHWGA-MWDXBVQZSA-N 1 1 347.459 0.875 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001050224528 759976405 /nfs/dbraw/zinc/97/64/05/759976405.db2.gz ZOAOXZMKDBDJIH-KGLIPLIRSA-N 1 1 331.420 0.638 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)c[nH]1 ZINC001007137418 767908513 /nfs/dbraw/zinc/90/85/13/767908513.db2.gz IBJNYHLUPGOMFM-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001012565018 760300353 /nfs/dbraw/zinc/30/03/53/760300353.db2.gz BYAIZOFTUHDWRJ-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H](C)[C@H](C[NH2+]Cc3nnn(C)n3)C2)c1 ZINC001048384493 760412277 /nfs/dbraw/zinc/41/22/77/760412277.db2.gz WOJWYZHHFAZXPC-SWLSCSKDSA-N 1 1 339.403 0.084 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2ncc3cccnc32)[C@@H](O)C1 ZINC001083651796 760541489 /nfs/dbraw/zinc/54/14/89/760541489.db2.gz LUEHMPMBLDYMHE-CABCVRRESA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccon1)C2 ZINC000995845774 760679850 /nfs/dbraw/zinc/67/98/50/760679850.db2.gz SOWWPEBEDJXLDS-OEAJRASXSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccon1)C2 ZINC000995845774 760679856 /nfs/dbraw/zinc/67/98/56/760679856.db2.gz SOWWPEBEDJXLDS-OEAJRASXSA-N 1 1 342.399 0.634 20 30 ECEDMO C=CCCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001048558800 760715344 /nfs/dbraw/zinc/71/53/44/760715344.db2.gz WLJDWCGZXJUWSN-JYJNAYRXSA-N 1 1 349.475 0.857 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001048561682 760721075 /nfs/dbraw/zinc/72/10/75/760721075.db2.gz HIDDWRJEPMRSQK-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001048568474 760730329 /nfs/dbraw/zinc/73/03/29/760730329.db2.gz AKTCCCJKOLSLRV-CRWXNKLISA-N 1 1 334.420 0.520 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001048574775 760739899 /nfs/dbraw/zinc/73/98/99/760739899.db2.gz SRVQZNCIVAERJZ-YOWGUQMCSA-N 1 1 331.416 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)CCC)C1 ZINC001048576244 760745001 /nfs/dbraw/zinc/74/50/01/760745001.db2.gz YKICQWUEJURHNM-QAETUUGQSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)CCC)C1 ZINC001048576244 760745005 /nfs/dbraw/zinc/74/50/05/760745005.db2.gz YKICQWUEJURHNM-QAETUUGQSA-N 1 1 349.475 0.550 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001048588441 760760622 /nfs/dbraw/zinc/76/06/22/760760622.db2.gz BCDKHVPMMWFEJR-QKPAOTATSA-N 1 1 338.473 0.946 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001048588815 760762485 /nfs/dbraw/zinc/76/24/85/760762485.db2.gz NKLMWSZJYAJFGB-XJFOESAGSA-N 1 1 327.450 0.223 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1ncccc1C#N ZINC001048613452 760792319 /nfs/dbraw/zinc/79/23/19/760792319.db2.gz RMZNTCNPBLVHFK-ARFHVFGLSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1ncccc1C#N ZINC001048613452 760792324 /nfs/dbraw/zinc/79/23/24/760792324.db2.gz RMZNTCNPBLVHFK-ARFHVFGLSA-N 1 1 343.431 0.757 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1 ZINC000995911028 760804025 /nfs/dbraw/zinc/80/40/25/760804025.db2.gz VLIVELJIWJYCBH-UGUYLWEFSA-N 1 1 341.415 0.842 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccccn4)C[C@H]3C2)C1=O ZINC001048644582 760846939 /nfs/dbraw/zinc/84/69/39/760846939.db2.gz AEXDRMRSDRPZOT-UXLLHSPISA-N 1 1 340.427 0.872 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)C1=O ZINC001048644586 760847010 /nfs/dbraw/zinc/84/70/10/760847010.db2.gz AKCKFLUFSOSPDE-IXDOHACOSA-N 1 1 340.427 0.872 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCOC4)C[C@H]3C2)C1=O ZINC001048712732 761002252 /nfs/dbraw/zinc/00/22/52/761002252.db2.gz DTDXTIRMKWEVBO-WCVJEAGWSA-N 1 1 333.432 0.200 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@H]2CCOC2)c1 ZINC001050864292 761032921 /nfs/dbraw/zinc/03/29/21/761032921.db2.gz AAAAAFNMPMKZIU-ZFWWWQNUSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@H+]2CC[C@H]2CCOC2)c1 ZINC001050864292 761032929 /nfs/dbraw/zinc/03/29/29/761032929.db2.gz AAAAAFNMPMKZIU-ZFWWWQNUSA-N 1 1 332.404 0.744 20 30 ECEDMO COc1coc(C[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)cc1=O ZINC001048724922 761047709 /nfs/dbraw/zinc/04/77/09/761047709.db2.gz KTRQVJWZODOUPD-UPJWGTAASA-N 1 1 331.372 0.698 20 30 ECEDMO COc1coc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)cc1=O ZINC001048724922 761047719 /nfs/dbraw/zinc/04/77/19/761047719.db2.gz KTRQVJWZODOUPD-UPJWGTAASA-N 1 1 331.372 0.698 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)cc1 ZINC001048732897 761067837 /nfs/dbraw/zinc/06/78/37/761067837.db2.gz UBMSZWHVYFGGLN-GASCZTMLSA-N 1 1 342.399 0.355 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccn(C)c4)C[C@H]3C2)C1=O ZINC001048764062 761135436 /nfs/dbraw/zinc/13/54/36/761135436.db2.gz LPTRLFGJJCVVSO-IXDOHACOSA-N 1 1 342.443 0.816 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000991481065 761147256 /nfs/dbraw/zinc/14/72/56/761147256.db2.gz WJWNMPMWSXXRHG-HNNXBMFYSA-N 1 1 329.404 0.700 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001077446477 761158488 /nfs/dbraw/zinc/15/84/88/761158488.db2.gz IZLDZMZKGXMADL-HZSPNIEDSA-N 1 1 334.445 0.297 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001077446477 761158492 /nfs/dbraw/zinc/15/84/92/761158492.db2.gz IZLDZMZKGXMADL-HZSPNIEDSA-N 1 1 334.445 0.297 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cncs1 ZINC001050962076 761230500 /nfs/dbraw/zinc/23/05/00/761230500.db2.gz DYIVKNJAUVBLIU-ZBFHGGJFSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cncs1 ZINC001050962076 761230504 /nfs/dbraw/zinc/23/05/04/761230504.db2.gz DYIVKNJAUVBLIU-ZBFHGGJFSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1CCC(F)(F)F ZINC001050962709 761231709 /nfs/dbraw/zinc/23/17/09/761231709.db2.gz OWSFQCYQDDVUFW-KBPBESRZSA-N 1 1 347.381 0.853 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1CCC(F)(F)F ZINC001050962709 761231710 /nfs/dbraw/zinc/23/17/10/761231710.db2.gz OWSFQCYQDDVUFW-KBPBESRZSA-N 1 1 347.381 0.853 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001013263320 761243939 /nfs/dbraw/zinc/24/39/39/761243939.db2.gz RZDYGQIAUMDDOW-NHYWBVRUSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212148705 761261184 /nfs/dbraw/zinc/26/11/84/761261184.db2.gz PRDCJYDVNPWOEN-HZPDHXFCSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212148705 761261187 /nfs/dbraw/zinc/26/11/87/761261187.db2.gz PRDCJYDVNPWOEN-HZPDHXFCSA-N 1 1 335.448 0.522 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1CC ZINC001050993375 761289451 /nfs/dbraw/zinc/28/94/51/761289451.db2.gz SYLWOYOWXPTZBH-HOTGVXAUSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1CC ZINC001050993375 761289454 /nfs/dbraw/zinc/28/94/54/761289454.db2.gz SYLWOYOWXPTZBH-HOTGVXAUSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CCCN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051028017 761361329 /nfs/dbraw/zinc/36/13/29/761361329.db2.gz BPOISTOBZLNGOH-BNQMIIOLSA-N 1 1 335.448 0.243 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(=O)n(CCOC)c3)CCC[C@@H]12 ZINC000991542955 761484168 /nfs/dbraw/zinc/48/41/68/761484168.db2.gz SOMDMBBOUFSWLN-APWZRJJASA-N 1 1 343.427 0.855 20 30 ECEDMO N#CCN1CCOC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001051111518 761510189 /nfs/dbraw/zinc/51/01/89/761510189.db2.gz TWXPCFFJLPONDA-ZDUSSCGKSA-N 1 1 333.392 0.225 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNc3ccnc(C#N)n3)[C@H](C)C2)C1 ZINC001054572548 768045627 /nfs/dbraw/zinc/04/56/27/768045627.db2.gz ZXGHHLAHZIRRSD-RBSFLKMASA-N 1 1 342.447 0.618 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007143890 768057326 /nfs/dbraw/zinc/05/73/26/768057326.db2.gz PFXOZWMUXBQAPR-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007143890 768057330 /nfs/dbraw/zinc/05/73/30/768057330.db2.gz PFXOZWMUXBQAPR-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CC[C@H]3C(N)=O)cccc2C1 ZINC001051296504 761844666 /nfs/dbraw/zinc/84/46/66/761844666.db2.gz SITJHJDBPLHTHM-SJORKVTESA-N 1 1 325.412 0.806 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ccncc2C#N)C[C@H]1O ZINC001051699603 762727125 /nfs/dbraw/zinc/72/71/25/762727125.db2.gz HNDCGDVLFNHRLP-GDBMZVCRSA-N 1 1 340.387 0.214 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001014471909 762728100 /nfs/dbraw/zinc/72/81/00/762728100.db2.gz STQUYDNCGMDCPB-KFWWJZLASA-N 1 1 336.436 0.183 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2COC(=O)N2)cc1 ZINC001017518265 768079027 /nfs/dbraw/zinc/07/90/27/768079027.db2.gz AFZVFUZKBSTERE-OWCLPIDISA-N 1 1 340.383 0.842 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2COC(=O)N2)cc1 ZINC001017518265 768079031 /nfs/dbraw/zinc/07/90/31/768079031.db2.gz AFZVFUZKBSTERE-OWCLPIDISA-N 1 1 340.383 0.842 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001105934302 762878627 /nfs/dbraw/zinc/87/86/27/762878627.db2.gz HIVSYAGGKWHUGZ-HNNXBMFYSA-N 1 1 348.451 0.749 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1=O ZINC001014613062 762901757 /nfs/dbraw/zinc/90/17/57/762901757.db2.gz ATKDVKVEBCLSSM-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC1=O ZINC001014613062 762901762 /nfs/dbraw/zinc/90/17/62/762901762.db2.gz ATKDVKVEBCLSSM-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1=O ZINC001014615958 762908942 /nfs/dbraw/zinc/90/89/42/762908942.db2.gz KEWREQIMGABDAA-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991716637 762930051 /nfs/dbraw/zinc/93/00/51/762930051.db2.gz MVISTTMPGVYTLZ-MRXNPFEDSA-N 1 1 325.412 0.489 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)s1 ZINC001014709833 763023107 /nfs/dbraw/zinc/02/31/07/763023107.db2.gz DFCOQEPREBCVHD-VXGBXAGGSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)s1 ZINC001014709833 763023110 /nfs/dbraw/zinc/02/31/10/763023110.db2.gz DFCOQEPREBCVHD-VXGBXAGGSA-N 1 1 332.429 0.836 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001046783203 763120025 /nfs/dbraw/zinc/12/00/25/763120025.db2.gz KOQFGYXEXCZHFE-ORAYPTAESA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001046783203 763120029 /nfs/dbraw/zinc/12/00/29/763120029.db2.gz KOQFGYXEXCZHFE-ORAYPTAESA-N 1 1 340.427 0.924 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)cn1 ZINC001089842435 763134442 /nfs/dbraw/zinc/13/44/42/763134442.db2.gz JRGQWLUGNBTQRC-AYDFFVQHSA-N 1 1 328.416 0.749 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)C1=O ZINC001031864684 763142384 /nfs/dbraw/zinc/14/23/84/763142384.db2.gz NXHSOCOUTJWDRP-ZACQAIPSSA-N 1 1 347.459 0.636 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001017553839 768111650 /nfs/dbraw/zinc/11/16/50/768111650.db2.gz ZVKPNORLJWJREJ-GFCCVEGCSA-N 1 1 345.403 0.784 20 30 ECEDMO Cc1nsc(NC2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001051879117 763189585 /nfs/dbraw/zinc/18/95/85/763189585.db2.gz SPYKQBSJJSLAAE-YIZWMMSDSA-N 1 1 349.460 0.961 20 30 ECEDMO Cc1nsc(NC2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001051879117 763189589 /nfs/dbraw/zinc/18/95/89/763189589.db2.gz SPYKQBSJJSLAAE-YIZWMMSDSA-N 1 1 349.460 0.961 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046830579 763189740 /nfs/dbraw/zinc/18/97/40/763189740.db2.gz ZMEZNFLNESHBMV-JQFCIGGWSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046830579 763189742 /nfs/dbraw/zinc/18/97/42/763189742.db2.gz ZMEZNFLNESHBMV-JQFCIGGWSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001046830434 763189882 /nfs/dbraw/zinc/18/98/82/763189882.db2.gz WWLGTAUSHROKAE-FRFSOERESA-N 1 1 343.431 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001046830434 763189884 /nfs/dbraw/zinc/18/98/84/763189884.db2.gz WWLGTAUSHROKAE-FRFSOERESA-N 1 1 343.431 0.403 20 30 ECEDMO C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001098784249 768116204 /nfs/dbraw/zinc/11/62/04/768116204.db2.gz CIFYPWGUOMEFRN-SJORKVTESA-N 1 1 344.463 0.649 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001105983209 763220659 /nfs/dbraw/zinc/22/06/59/763220659.db2.gz YXVJVGAEIGKSIL-GJZGRUSLSA-N 1 1 346.435 0.500 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(=O)cn1 ZINC001089857503 763264124 /nfs/dbraw/zinc/26/41/24/763264124.db2.gz ZHTCIMFTJSXGOP-AYDFFVQHSA-N 1 1 326.400 0.576 20 30 ECEDMO C=CCOCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001105987264 763278368 /nfs/dbraw/zinc/27/83/68/763278368.db2.gz BJPJJRPRYNYIOZ-ZIAGYGMSSA-N 1 1 336.440 0.377 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cc(C)on3)C2)cn1 ZINC001051908108 763302000 /nfs/dbraw/zinc/30/20/00/763302000.db2.gz DZGKXBRRNXGPKU-KRWDZBQOSA-N 1 1 340.383 0.990 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046930221 763406448 /nfs/dbraw/zinc/40/64/48/763406448.db2.gz YGANVKKUJNXQIX-PWSUYJOCSA-N 1 1 326.347 0.954 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001046931060 763409124 /nfs/dbraw/zinc/40/91/24/763409124.db2.gz PTDDIRZCWKUAKO-UONOGXRCSA-N 1 1 331.407 0.967 20 30 ECEDMO Cc1cc(C#N)nc(NC2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001051944797 763413345 /nfs/dbraw/zinc/41/33/45/763413345.db2.gz PEGKMZDOSKMRCZ-MOKVOYLWSA-N 1 1 328.420 0.915 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CC(Nc3nccnc3C#N)C2)C1 ZINC001051947626 763418079 /nfs/dbraw/zinc/41/80/79/763418079.db2.gz IXUKNDAJSHLCPL-PIMMBPRGSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2CC(Nc3nccnc3C#N)C2)C1 ZINC001051947626 763418082 /nfs/dbraw/zinc/41/80/82/763418082.db2.gz IXUKNDAJSHLCPL-PIMMBPRGSA-N 1 1 344.419 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ncnn2C(C)C)C1 ZINC001030461981 763433775 /nfs/dbraw/zinc/43/37/75/763433775.db2.gz FXXYLYONVLCIFW-HNNXBMFYSA-N 1 1 330.436 0.257 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ncnn2C(C)C)C1 ZINC001030461981 763433780 /nfs/dbraw/zinc/43/37/80/763433780.db2.gz FXXYLYONVLCIFW-HNNXBMFYSA-N 1 1 330.436 0.257 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CC(=C)Br)C1 ZINC001030462398 763437801 /nfs/dbraw/zinc/43/78/01/763437801.db2.gz VOZLBWANEQHPEV-ZDUSSCGKSA-N 1 1 326.238 0.793 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CC(=C)Br)C1 ZINC001030462398 763437803 /nfs/dbraw/zinc/43/78/03/763437803.db2.gz VOZLBWANEQHPEV-ZDUSSCGKSA-N 1 1 326.238 0.793 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C)n2CCC)C1 ZINC001030462423 763439595 /nfs/dbraw/zinc/43/95/95/763439595.db2.gz WNOGWXGBTDWLPV-INIZCTEOSA-N 1 1 344.463 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C)n2CCC)C1 ZINC001030462423 763439603 /nfs/dbraw/zinc/43/96/03/763439603.db2.gz WNOGWXGBTDWLPV-INIZCTEOSA-N 1 1 344.463 0.395 20 30 ECEDMO Cn1c(C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)c[nH]c1=O ZINC001031899048 763443730 /nfs/dbraw/zinc/44/37/30/763443730.db2.gz QNSOFUYFGSNQLS-UHFFFAOYSA-N 1 1 325.372 0.859 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000995086646 763450872 /nfs/dbraw/zinc/45/08/72/763450872.db2.gz JODGWGSIEXKSNX-HNNXBMFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CCO[C@@H]2CC2(F)F)C1 ZINC001030464008 763454605 /nfs/dbraw/zinc/45/46/05/763454605.db2.gz DFHHCPOQJQKDGN-UONOGXRCSA-N 1 1 327.375 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCO[C@@H]2CC2(F)F)C1 ZINC001030464008 763454611 /nfs/dbraw/zinc/45/46/11/763454611.db2.gz DFHHCPOQJQKDGN-UONOGXRCSA-N 1 1 327.375 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C[C@@H](O)c2ccccc2)C1 ZINC001030464271 763456837 /nfs/dbraw/zinc/45/68/37/763456837.db2.gz NGAWCUMDRRUXRT-ZWKOTPCHSA-N 1 1 327.428 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C[C@@H](O)c2ccccc2)C1 ZINC001030464271 763456843 /nfs/dbraw/zinc/45/68/43/763456843.db2.gz NGAWCUMDRRUXRT-ZWKOTPCHSA-N 1 1 327.428 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001046974966 763494760 /nfs/dbraw/zinc/49/47/60/763494760.db2.gz RIXOSOAWMQIMNY-FRRDWIJNSA-N 1 1 327.375 0.595 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001046974966 763494761 /nfs/dbraw/zinc/49/47/61/763494761.db2.gz RIXOSOAWMQIMNY-FRRDWIJNSA-N 1 1 327.375 0.595 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)CC1 ZINC001051977367 763497094 /nfs/dbraw/zinc/49/70/94/763497094.db2.gz UXWCEARWXWUVCF-QGZVFWFLSA-N 1 1 328.416 0.175 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCC2(F)F)nn1 ZINC001046977858 763498475 /nfs/dbraw/zinc/49/84/75/763498475.db2.gz NMVFUSIKXOMTBR-LBPRGKRZSA-N 1 1 343.378 0.534 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001046987907 763518991 /nfs/dbraw/zinc/51/89/91/763518991.db2.gz YFPFWUJEESBZQR-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001046987907 763518996 /nfs/dbraw/zinc/51/89/96/763518996.db2.gz YFPFWUJEESBZQR-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001046989577 763521948 /nfs/dbraw/zinc/52/19/48/763521948.db2.gz BMNWAHGYJZOHEW-ZIAGYGMSSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001046989577 763521953 /nfs/dbraw/zinc/52/19/53/763521953.db2.gz BMNWAHGYJZOHEW-ZIAGYGMSSA-N 1 1 327.375 0.561 20 30 ECEDMO CN1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1=O ZINC001031910239 763524775 /nfs/dbraw/zinc/52/47/75/763524775.db2.gz KECDHNHHHVOYAP-INIZCTEOSA-N 1 1 326.400 0.585 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001046991414 763526024 /nfs/dbraw/zinc/52/60/24/763526024.db2.gz FVPNPLJLWQZLEN-HUUCEWRRSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001046991414 763526026 /nfs/dbraw/zinc/52/60/26/763526026.db2.gz FVPNPLJLWQZLEN-HUUCEWRRSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001046997096 763539689 /nfs/dbraw/zinc/53/96/89/763539689.db2.gz TXPXZZYCHOWHHR-LBPRGKRZSA-N 1 1 348.357 0.753 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001046997096 763539692 /nfs/dbraw/zinc/53/96/92/763539692.db2.gz TXPXZZYCHOWHHR-LBPRGKRZSA-N 1 1 348.357 0.753 20 30 ECEDMO C#CCC1(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]c(C)n2)CCOCC1 ZINC001106001970 763571739 /nfs/dbraw/zinc/57/17/39/763571739.db2.gz AZGFAAMPVJYJDS-HNNXBMFYSA-N 1 1 346.431 0.803 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@](C)(O)C3CC3)C2)CC1 ZINC001052010722 763579074 /nfs/dbraw/zinc/57/90/74/763579074.db2.gz FBMFUZSCMGDKRS-PKOBYXMFSA-N 1 1 333.476 0.779 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N2CCC2)C3)c[nH]1 ZINC001047052986 763597494 /nfs/dbraw/zinc/59/74/94/763597494.db2.gz ORRZTCUJGNPIBW-NOLJZWGESA-N 1 1 341.415 0.701 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2nccnc2C#N)C1 ZINC001106004411 763598263 /nfs/dbraw/zinc/59/82/63/763598263.db2.gz QXECWTFCCQOZLJ-KGLIPLIRSA-N 1 1 346.435 0.215 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212184878 763607080 /nfs/dbraw/zinc/60/70/80/763607080.db2.gz HNHFFCIQQFVDLT-OWCLPIDISA-N 1 1 335.448 0.615 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212184878 763607085 /nfs/dbraw/zinc/60/70/85/763607085.db2.gz HNHFFCIQQFVDLT-OWCLPIDISA-N 1 1 335.448 0.615 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc4ccnn43)C2)CC1 ZINC001052035402 763642432 /nfs/dbraw/zinc/64/24/32/763642432.db2.gz CGRSEEMQDVMZCJ-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052035531 763643824 /nfs/dbraw/zinc/64/38/24/763643824.db2.gz LBYVGBHRJXDOBZ-MRXNPFEDSA-N 1 1 327.432 0.295 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052035626 763643985 /nfs/dbraw/zinc/64/39/85/763643985.db2.gz LWNLRTOVNQYCQE-IAGOWNOFSA-N 1 1 333.480 0.603 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnccc3C)C2)CC1 ZINC001052037289 763653859 /nfs/dbraw/zinc/65/38/59/763653859.db2.gz JXUIJGAYBLAUIJ-GOSISDBHSA-N 1 1 326.444 0.784 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052040159 763661315 /nfs/dbraw/zinc/66/13/15/763661315.db2.gz AEONRZQSVSZKDB-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052040159 763661323 /nfs/dbraw/zinc/66/13/23/763661323.db2.gz AEONRZQSVSZKDB-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C2)CC1 ZINC001052041415 763666784 /nfs/dbraw/zinc/66/67/84/763666784.db2.gz HNGVHXKUVBPWKF-INIZCTEOSA-N 1 1 331.464 0.919 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)CC1 ZINC001052041533 763668225 /nfs/dbraw/zinc/66/82/25/763668225.db2.gz KELGGWBMVYNBDT-BBWFWOEESA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)CC1 ZINC001052044029 763676921 /nfs/dbraw/zinc/67/69/21/763676921.db2.gz BCZGZSUTCVXJHF-SJORKVTESA-N 1 1 341.459 0.297 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)nc3COC)C2)CC1 ZINC001052044066 763677174 /nfs/dbraw/zinc/67/71/74/763677174.db2.gz BYZYSCUJVGYOPA-HNNXBMFYSA-N 1 1 345.447 0.032 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3COCCN3CC)C2)CC1 ZINC001052044716 763680225 /nfs/dbraw/zinc/68/02/25/763680225.db2.gz KIOCUHZRMDGKEC-DLBZAZTESA-N 1 1 336.480 0.112 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3COCCN3CC)C2)CC1 ZINC001052044716 763680229 /nfs/dbraw/zinc/68/02/29/763680229.db2.gz KIOCUHZRMDGKEC-DLBZAZTESA-N 1 1 336.480 0.112 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045360 763682364 /nfs/dbraw/zinc/68/23/64/763682364.db2.gz RNVSAVSHUAFDHU-INIZCTEOSA-N 1 1 333.411 0.318 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)CC1 ZINC001052045444 763683139 /nfs/dbraw/zinc/68/31/39/763683139.db2.gz SXQSHZUDMZCUMU-CVEARBPZSA-N 1 1 342.447 0.188 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Cl)n(C)n3)C2)CC1 ZINC001052048863 763699086 /nfs/dbraw/zinc/69/90/86/763699086.db2.gz DUMCECGBBKXLJL-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052786 763717073 /nfs/dbraw/zinc/71/70/73/763717073.db2.gz XKYCYPRFWIWSSH-QGZVFWFLSA-N 1 1 327.432 0.261 20 30 ECEDMO CC(C)n1ccc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052054923 763721888 /nfs/dbraw/zinc/72/18/88/763721888.db2.gz GPMDMTVWYQCHFS-QGZVFWFLSA-N 1 1 344.463 0.749 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C2)CC1 ZINC001052054790 763721992 /nfs/dbraw/zinc/72/19/92/763721992.db2.gz DHAQHYIFFKSIMU-MRXNPFEDSA-N 1 1 332.452 0.245 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C2)CC1 ZINC001052054790 763721996 /nfs/dbraw/zinc/72/19/96/763721996.db2.gz DHAQHYIFFKSIMU-MRXNPFEDSA-N 1 1 332.452 0.245 20 30 ECEDMO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001124489419 763748513 /nfs/dbraw/zinc/74/85/13/763748513.db2.gz ZZTHLVGWWATJGH-GFCCVEGCSA-N 1 1 344.433 0.870 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071772 763773757 /nfs/dbraw/zinc/77/37/57/763773757.db2.gz ZGQAXQUXPNRABE-OKZBNKHCSA-N 1 1 332.492 0.568 20 30 ECEDMO Cc1cc(CCC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)no1 ZINC001052079521 763793063 /nfs/dbraw/zinc/79/30/63/763793063.db2.gz BXIHDWYEAKISEJ-INIZCTEOSA-N 1 1 331.420 0.658 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cccnc3C)C2)CC1 ZINC001052081375 763797534 /nfs/dbraw/zinc/79/75/34/763797534.db2.gz AHGFCHAPWALYGU-GOSISDBHSA-N 1 1 326.444 0.784 20 30 ECEDMO CC#CCN1CCN([C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081455 763799206 /nfs/dbraw/zinc/79/92/06/763799206.db2.gz BQHNFTIKSOFSMF-ROUUACIJSA-N 1 1 332.492 0.570 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC000941567390 763801183 /nfs/dbraw/zinc/80/11/83/763801183.db2.gz TUWWYDDVMOSVDW-UHFFFAOYSA-N 1 1 332.452 0.152 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3[nH]c(C)nc3C)C2)CC1 ZINC001052085662 763811920 /nfs/dbraw/zinc/81/19/20/763811920.db2.gz IHXGQRKAFBMCDG-INIZCTEOSA-N 1 1 329.448 0.882 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052086444 763815129 /nfs/dbraw/zinc/81/51/29/763815129.db2.gz AJISHCRUXVXVRE-AWEZNQCLSA-N 1 1 336.827 0.279 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052087227 763817598 /nfs/dbraw/zinc/81/75/98/763817598.db2.gz PQSBPDMUKXKYLQ-HNNXBMFYSA-N 1 1 335.839 0.388 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C2)CC1 ZINC001052090195 763826637 /nfs/dbraw/zinc/82/66/37/763826637.db2.gz XWSUGYOIVRSDPB-QGZVFWFLSA-N 1 1 344.459 0.561 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C2)CC1 ZINC001052090195 763826643 /nfs/dbraw/zinc/82/66/43/763826643.db2.gz XWSUGYOIVRSDPB-QGZVFWFLSA-N 1 1 344.459 0.561 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(COC)on3)C2)CC1 ZINC001052094207 763839307 /nfs/dbraw/zinc/83/93/07/763839307.db2.gz ZSZCYTCDTVRCMS-OAHLLOKOSA-N 1 1 346.431 0.676 20 30 ECEDMO C[C@@H](CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)n1cccn1 ZINC001052102638 763866203 /nfs/dbraw/zinc/86/62/03/763866203.db2.gz GGJJJUXNPBMCIN-HOTGVXAUSA-N 1 1 330.436 0.576 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4nccn4c3)C2)CC1 ZINC001052105931 763878709 /nfs/dbraw/zinc/87/87/09/763878709.db2.gz WBPAESQZKMMBHV-KRWDZBQOSA-N 1 1 337.427 0.800 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106344409 768171781 /nfs/dbraw/zinc/17/17/81/768171781.db2.gz MCBWWWJWTJPPHC-TZMCWYRMSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106344409 768171785 /nfs/dbraw/zinc/17/17/85/768171785.db2.gz MCBWWWJWTJPPHC-TZMCWYRMSA-N 1 1 332.408 0.376 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106273 763880430 /nfs/dbraw/zinc/88/04/30/763880430.db2.gz GXAOJAQMNQOPPW-PKOBYXMFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106968 763883737 /nfs/dbraw/zinc/88/37/37/763883737.db2.gz YFYCVVAKDKRUSP-NVXWUHKLSA-N 1 1 343.475 0.919 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)CC1 ZINC001052114508 763916516 /nfs/dbraw/zinc/91/65/16/763916516.db2.gz LZJKWSNDRLKTOM-INIZCTEOSA-N 1 1 328.416 0.643 20 30 ECEDMO Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052117689 763930403 /nfs/dbraw/zinc/93/04/03/763930403.db2.gz XHANNTPAFBFWPK-INIZCTEOSA-N 1 1 344.463 0.701 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)CC1 ZINC001052123384 763948228 /nfs/dbraw/zinc/94/82/28/763948228.db2.gz GIEJRBHSGSLNFM-ZWKOTPCHSA-N 1 1 346.475 0.239 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001047310299 763952085 /nfs/dbraw/zinc/95/20/85/763952085.db2.gz PXNUZJLJAVBJBD-BFHYXJOUSA-N 1 1 328.420 0.997 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3nn(CC)nc3C)C2)CC1 ZINC001052124561 763952984 /nfs/dbraw/zinc/95/29/84/763952984.db2.gz DNXRCZNUVOHLMU-HNNXBMFYSA-N 1 1 332.452 0.625 20 30 ECEDMO C=C(Br)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047321671 763988507 /nfs/dbraw/zinc/98/85/07/763988507.db2.gz IMXFMFYRBWTCPN-AGIUHOORSA-N 1 1 346.269 0.493 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCO[C@H]3C=C)C2)C1=O ZINC001031988197 763997138 /nfs/dbraw/zinc/99/71/38/763997138.db2.gz ORWBPCQPYSRAGW-PMPSAXMXSA-N 1 1 333.432 0.412 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047323940 763997906 /nfs/dbraw/zinc/99/79/06/763997906.db2.gz BXSWOZBQOSGZMF-JYJNAYRXSA-N 1 1 348.472 0.717 20 30 ECEDMO CN(C(=O)Cc1ccon1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047325995 764004825 /nfs/dbraw/zinc/00/48/25/764004825.db2.gz MMKYYTYDKIHLKS-IRXDYDNUSA-N 1 1 340.383 0.792 20 30 ECEDMO CN(C(=O)Cc1ccon1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047325995 764004838 /nfs/dbraw/zinc/00/48/38/764004838.db2.gz MMKYYTYDKIHLKS-IRXDYDNUSA-N 1 1 340.383 0.792 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc[nH]c3C)C2)C1=O ZINC001047339317 764049415 /nfs/dbraw/zinc/04/94/15/764049415.db2.gz ORGWIYQGXWGUIF-JYJNAYRXSA-N 1 1 346.431 0.227 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc[nH]c3C)C2)C1=O ZINC001047339317 764049420 /nfs/dbraw/zinc/04/94/20/764049420.db2.gz ORGWIYQGXWGUIF-JYJNAYRXSA-N 1 1 346.431 0.227 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001052221867 764083670 /nfs/dbraw/zinc/08/36/70/764083670.db2.gz UYFNFOSEBNXDBQ-CABCVRRESA-N 1 1 325.453 0.742 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ccon3)CC2)C1=O ZINC001052260949 764149474 /nfs/dbraw/zinc/14/94/74/764149474.db2.gz QYGISCLAXOWUIG-GDBMZVCRSA-N 1 1 346.431 0.975 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001047384471 764179423 /nfs/dbraw/zinc/17/94/23/764179423.db2.gz SKESALCBHOPNGJ-NCOADZHNSA-N 1 1 342.443 0.291 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001047384471 764179428 /nfs/dbraw/zinc/17/94/28/764179428.db2.gz SKESALCBHOPNGJ-NCOADZHNSA-N 1 1 342.443 0.291 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001106057589 764183108 /nfs/dbraw/zinc/18/31/08/764183108.db2.gz CVQZYKRZHVGKRP-CABCVRRESA-N 1 1 331.420 0.635 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)c1 ZINC001052290296 764200666 /nfs/dbraw/zinc/20/06/66/764200666.db2.gz MZOPQOIJVAJTAL-JSGCOSHPSA-N 1 1 343.387 0.276 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001047395391 764205333 /nfs/dbraw/zinc/20/53/33/764205333.db2.gz IDSISMGOJWBGTC-KBPBESRZSA-N 1 1 340.374 0.656 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001047398124 764214656 /nfs/dbraw/zinc/21/46/56/764214656.db2.gz DPWMBZMCJYJKSN-JYJNAYRXSA-N 1 1 337.464 0.571 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001047398294 764216226 /nfs/dbraw/zinc/21/62/26/764216226.db2.gz JKOFDSDUWDNXNV-PMPSAXMXSA-N 1 1 337.464 0.571 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2cccc3OC)C1 ZINC001047401723 764224748 /nfs/dbraw/zinc/22/47/48/764224748.db2.gz FOGNCLCCUIIFQT-GJZGRUSLSA-N 1 1 328.372 0.093 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2cccc3OC)C1 ZINC001047401723 764224759 /nfs/dbraw/zinc/22/47/59/764224759.db2.gz FOGNCLCCUIIFQT-GJZGRUSLSA-N 1 1 328.372 0.093 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2OCCO3)C1 ZINC001047401449 764225953 /nfs/dbraw/zinc/22/59/53/764225953.db2.gz QVAUYSYEQNKQMU-GJZGRUSLSA-N 1 1 330.384 0.598 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001047403265 764231795 /nfs/dbraw/zinc/23/17/95/764231795.db2.gz DRBKTMPXAJYIJE-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052314681 764234294 /nfs/dbraw/zinc/23/42/94/764234294.db2.gz LETVYXFKWMMNNP-ZDUSSCGKSA-N 1 1 338.433 0.515 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052314681 764234305 /nfs/dbraw/zinc/23/43/05/764234305.db2.gz LETVYXFKWMMNNP-ZDUSSCGKSA-N 1 1 338.433 0.515 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001047410012 764259148 /nfs/dbraw/zinc/25/91/48/764259148.db2.gz ZKPLDRGHJCLIQF-IRXDYDNUSA-N 1 1 334.464 0.777 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001047414583 764272126 /nfs/dbraw/zinc/27/21/26/764272126.db2.gz NABLYLCZNCXXAP-KBPBESRZSA-N 1 1 331.372 0.321 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001047414583 764272131 /nfs/dbraw/zinc/27/21/31/764272131.db2.gz NABLYLCZNCXXAP-KBPBESRZSA-N 1 1 331.372 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cc(C)on2)C[C@@H]1O ZINC001047415030 764274130 /nfs/dbraw/zinc/27/41/30/764274130.db2.gz CUCMHZXIFIVURX-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cc(C)on2)C[C@@H]1O ZINC001047415030 764274133 /nfs/dbraw/zinc/27/41/33/764274133.db2.gz CUCMHZXIFIVURX-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)c2nnn(C)n2)C1 ZINC000995274073 764285065 /nfs/dbraw/zinc/28/50/65/764285065.db2.gz PMEYLEWWWUHJTD-OAHLLOKOSA-N 1 1 339.403 0.203 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001047419012 764286631 /nfs/dbraw/zinc/28/66/31/764286631.db2.gz DDMQTABFFWYEEN-KBPBESRZSA-N 1 1 330.388 0.200 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001047419012 764286633 /nfs/dbraw/zinc/28/66/33/764286633.db2.gz DDMQTABFFWYEEN-KBPBESRZSA-N 1 1 330.388 0.200 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001032057799 764360309 /nfs/dbraw/zinc/36/03/09/764360309.db2.gz VXIWQFLOLRKNEX-AWEZNQCLSA-N 1 1 331.420 0.475 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC1 ZINC001052382291 764376742 /nfs/dbraw/zinc/37/67/42/764376742.db2.gz JJCWVKRELSOEDW-CQSZACIVSA-N 1 1 333.432 0.766 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001047452515 764391202 /nfs/dbraw/zinc/39/12/02/764391202.db2.gz NKBHXFOSLDKPBH-BPUTZDHNSA-N 1 1 332.375 0.829 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001047452515 764391210 /nfs/dbraw/zinc/39/12/10/764391210.db2.gz NKBHXFOSLDKPBH-BPUTZDHNSA-N 1 1 332.375 0.829 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001047453899 764396754 /nfs/dbraw/zinc/39/67/54/764396754.db2.gz UOXUMZNETNXOJL-BOSXTWCSSA-N 1 1 340.423 0.864 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001047453899 764396758 /nfs/dbraw/zinc/39/67/58/764396758.db2.gz UOXUMZNETNXOJL-BOSXTWCSSA-N 1 1 340.423 0.864 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)n3ccccc23)C1 ZINC001047457138 764401506 /nfs/dbraw/zinc/40/15/06/764401506.db2.gz MCVCBPDOYDURRM-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)n3ccccc23)C1 ZINC001047457138 764401512 /nfs/dbraw/zinc/40/15/12/764401512.db2.gz MCVCBPDOYDURRM-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccc(Cl)cc32)C1 ZINC001047457961 764404774 /nfs/dbraw/zinc/40/47/74/764404774.db2.gz BQHNXVZHJNYHJX-KKUMJFAQSA-N 1 1 334.803 0.953 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccc(Cl)cc32)C1 ZINC001047457961 764404778 /nfs/dbraw/zinc/40/47/78/764404778.db2.gz BQHNXVZHJNYHJX-KKUMJFAQSA-N 1 1 334.803 0.953 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001052393981 764407497 /nfs/dbraw/zinc/40/74/97/764407497.db2.gz SMWRTLOKRNPPBZ-NSHDSACASA-N 1 1 340.815 0.100 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001047471640 764439142 /nfs/dbraw/zinc/43/91/42/764439142.db2.gz RHGGOUTWVDNXQT-KSZLIROESA-N 1 1 349.475 0.014 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001047479376 764466200 /nfs/dbraw/zinc/46/62/00/764466200.db2.gz OHTGAVGAJWCKCO-KBMXLJTQSA-N 1 1 327.384 0.249 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001047479376 764466204 /nfs/dbraw/zinc/46/62/04/764466204.db2.gz OHTGAVGAJWCKCO-KBMXLJTQSA-N 1 1 327.384 0.249 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001052428015 764472586 /nfs/dbraw/zinc/47/25/86/764472586.db2.gz DPVAKUVRABDNIK-CYBMUJFWSA-N 1 1 349.884 0.745 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001047501757 764529606 /nfs/dbraw/zinc/52/96/06/764529606.db2.gz UAWAOYJIXADOMM-COXVUDFISA-N 1 1 332.448 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cn(C)nn2)CC1 ZINC001052457151 764539524 /nfs/dbraw/zinc/53/95/24/764539524.db2.gz PMQRSWVGSVNBAI-RDJZCZTQSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cn(C)nn2)CC1 ZINC001052457151 764539531 /nfs/dbraw/zinc/53/95/31/764539531.db2.gz PMQRSWVGSVNBAI-RDJZCZTQSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccnn2C)CC1 ZINC001052456977 764540000 /nfs/dbraw/zinc/54/00/00/764540000.db2.gz MNRQWHBBZWBPGK-WMZOPIPTSA-N 1 1 343.475 0.988 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001047513969 764558065 /nfs/dbraw/zinc/55/80/65/764558065.db2.gz STKZKXPUKDWHHW-IRXDYDNUSA-N 1 1 349.475 0.859 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001047513969 764558067 /nfs/dbraw/zinc/55/80/67/764558067.db2.gz STKZKXPUKDWHHW-IRXDYDNUSA-N 1 1 349.475 0.859 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2O)CC1 ZINC001047514199 764558343 /nfs/dbraw/zinc/55/83/43/764558343.db2.gz VVGUXFHQTVFZQV-KBMXLJTQSA-N 1 1 337.464 0.713 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2O)CC1 ZINC001047514199 764558349 /nfs/dbraw/zinc/55/83/49/764558349.db2.gz VVGUXFHQTVFZQV-KBMXLJTQSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cccn3)n2)C1 ZINC001047523380 764584618 /nfs/dbraw/zinc/58/46/18/764584618.db2.gz XTWKFGLZKNGICL-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc(C)no2)C1 ZINC000991914253 764593965 /nfs/dbraw/zinc/59/39/65/764593965.db2.gz XYJVXHIHCZVWNX-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc(C)no2)C1 ZINC000991914253 764593975 /nfs/dbraw/zinc/59/39/75/764593975.db2.gz XYJVXHIHCZVWNX-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047528630 764604404 /nfs/dbraw/zinc/60/44/04/764604404.db2.gz VEEIBTPQLPMZBV-GRDNDAEWSA-N 1 1 327.444 0.888 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCOCC1 ZINC001089876182 764614753 /nfs/dbraw/zinc/61/47/53/764614753.db2.gz QAMRPAYADLYPMF-MHORFTMASA-N 1 1 345.487 0.899 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC1 ZINC001052493339 764615009 /nfs/dbraw/zinc/61/50/09/764615009.db2.gz RPUKOXSRHLFLEP-HNNXBMFYSA-N 1 1 328.416 0.717 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089877008 764622062 /nfs/dbraw/zinc/62/20/62/764622062.db2.gz XCDXPHJSNDENDL-HNKHHVNMSA-N 1 1 345.443 0.784 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001047535819 764623059 /nfs/dbraw/zinc/62/30/59/764623059.db2.gz KBBYHEPJFGAKDH-GJZGRUSLSA-N 1 1 332.404 0.182 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001047551652 764669615 /nfs/dbraw/zinc/66/96/15/764669615.db2.gz VFVKZFNEQCJSIB-HOTGVXAUSA-N 1 1 325.368 0.691 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001047551652 764669620 /nfs/dbraw/zinc/66/96/20/764669620.db2.gz VFVKZFNEQCJSIB-HOTGVXAUSA-N 1 1 325.368 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2-n2cnnn2)CC1 ZINC001052517229 764669840 /nfs/dbraw/zinc/66/98/40/764669840.db2.gz WEMPMMQLBFKNQH-LBPRGKRZSA-N 1 1 330.417 0.941 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001047564504 764703281 /nfs/dbraw/zinc/70/32/81/764703281.db2.gz RCSVAZVFZHCSFQ-GJZGRUSLSA-N 1 1 342.403 0.356 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001047566481 764710955 /nfs/dbraw/zinc/71/09/55/764710955.db2.gz NHRAXESNYIGLON-KBPBESRZSA-N 1 1 327.388 0.325 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001047566481 764710956 /nfs/dbraw/zinc/71/09/56/764710956.db2.gz NHRAXESNYIGLON-KBPBESRZSA-N 1 1 327.388 0.325 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001212194036 764760835 /nfs/dbraw/zinc/76/08/35/764760835.db2.gz NLCJDBSQUYOQFT-BFYDXBDKSA-N 1 1 336.436 0.105 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OC)cc2F)C1 ZINC001047584778 764779294 /nfs/dbraw/zinc/77/92/94/764779294.db2.gz ZDXRLXBXPFZRQI-IRXDYDNUSA-N 1 1 334.391 0.904 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)CC1 ZINC001052590020 764810088 /nfs/dbraw/zinc/81/00/88/764810088.db2.gz UEAFWJJWSDGHSF-GJZGRUSLSA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)CC1 ZINC001052590020 764810096 /nfs/dbraw/zinc/81/00/96/764810096.db2.gz UEAFWJJWSDGHSF-GJZGRUSLSA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+](CC[C@H](C)F)C[C@@H]1O ZINC001047601940 764847185 /nfs/dbraw/zinc/84/71/85/764847185.db2.gz RENLGUJKALOXFC-BPUTZDHNSA-N 1 1 349.406 0.959 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC(C)C)c2C)C1 ZINC001047612885 764881901 /nfs/dbraw/zinc/88/19/01/764881901.db2.gz QEJGTEYCTBIKKV-IRXDYDNUSA-N 1 1 332.448 0.988 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC(C)C)c2C)C1 ZINC001047612885 764881907 /nfs/dbraw/zinc/88/19/07/764881907.db2.gz QEJGTEYCTBIKKV-IRXDYDNUSA-N 1 1 332.448 0.988 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015529127 764896321 /nfs/dbraw/zinc/89/63/21/764896321.db2.gz BVINBJPLPLDDJI-FZMZJTMJSA-N 1 1 332.429 0.931 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015529127 764896328 /nfs/dbraw/zinc/89/63/28/764896328.db2.gz BVINBJPLPLDDJI-FZMZJTMJSA-N 1 1 332.429 0.931 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001047618875 764898992 /nfs/dbraw/zinc/89/89/92/764898992.db2.gz SUWJTKZJEQXOOK-GJZGRUSLSA-N 1 1 332.404 0.870 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)CC2)n1 ZINC001052635462 764905319 /nfs/dbraw/zinc/90/53/19/764905319.db2.gz IXRYVXXMGJCCIU-MRXNPFEDSA-N 1 1 338.415 0.846 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001047624677 764915353 /nfs/dbraw/zinc/91/53/53/764915353.db2.gz WLZYNHDQTFWGGS-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001047624677 764915356 /nfs/dbraw/zinc/91/53/56/764915356.db2.gz WLZYNHDQTFWGGS-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO CN(C(=O)c1ccn(C)n1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047625478 764916397 /nfs/dbraw/zinc/91/63/97/764916397.db2.gz FZQUKUVYGFEBBS-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO CN(C(=O)c1ccn(C)n1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047625478 764916406 /nfs/dbraw/zinc/91/64/06/764916406.db2.gz FZQUKUVYGFEBBS-IRXDYDNUSA-N 1 1 339.399 0.609 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)C1=O ZINC001015550475 764937650 /nfs/dbraw/zinc/93/76/50/764937650.db2.gz STBHAWMKZHUDPN-DLBZAZTESA-N 1 1 343.402 0.846 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1=O ZINC001015550475 764937659 /nfs/dbraw/zinc/93/76/59/764937659.db2.gz STBHAWMKZHUDPN-DLBZAZTESA-N 1 1 343.402 0.846 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001015553501 764948720 /nfs/dbraw/zinc/94/87/20/764948720.db2.gz YLXMYTJERNNNGZ-UONOGXRCSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001015553501 764948726 /nfs/dbraw/zinc/94/87/26/764948726.db2.gz YLXMYTJERNNNGZ-UONOGXRCSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)nn1 ZINC001098774964 764981955 /nfs/dbraw/zinc/98/19/55/764981955.db2.gz VRPVBDVCBAHQRO-CVEARBPZSA-N 1 1 346.435 0.338 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3n[nH]cc3F)CC2)C1=O ZINC001052691756 764996547 /nfs/dbraw/zinc/99/65/47/764996547.db2.gz YHJCVMKIZURGBQ-GXTWGEPZSA-N 1 1 349.410 0.920 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000991981777 765048940 /nfs/dbraw/zinc/04/89/40/765048940.db2.gz SLCQULSZFKYKKH-HGMXIMQMSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)CC2)nn1 ZINC001052775731 765099283 /nfs/dbraw/zinc/09/92/83/765099283.db2.gz XNPPYNJLODRJSW-CQSZACIVSA-N 1 1 344.423 0.340 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cccnc3C)C2)C1=O ZINC001015631385 765103981 /nfs/dbraw/zinc/10/39/81/765103981.db2.gz KCVWIDIQHJECDG-HOCLYGCPSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cccnc3C)C2)C1=O ZINC001015631385 765103989 /nfs/dbraw/zinc/10/39/89/765103989.db2.gz KCVWIDIQHJECDG-HOCLYGCPSA-N 1 1 328.416 0.981 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CNC(=O)N1 ZINC001015635203 765109432 /nfs/dbraw/zinc/10/94/32/765109432.db2.gz QKMAIDGYUVGWST-CABCVRRESA-N 1 1 346.818 0.563 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CNC(=O)N1 ZINC001015635203 765109433 /nfs/dbraw/zinc/10/94/33/765109433.db2.gz QKMAIDGYUVGWST-CABCVRRESA-N 1 1 346.818 0.563 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000992003133 765118257 /nfs/dbraw/zinc/11/82/57/765118257.db2.gz YXRKEMKQKWKOSY-NRXISQOPSA-N 1 1 335.448 0.684 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000992003133 765118260 /nfs/dbraw/zinc/11/82/60/765118260.db2.gz YXRKEMKQKWKOSY-NRXISQOPSA-N 1 1 335.448 0.684 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001099103348 765145370 /nfs/dbraw/zinc/14/53/70/765145370.db2.gz YKOVKGWBILZGLU-ZDUSSCGKSA-N 1 1 329.466 0.118 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)c[nH]1 ZINC000992010818 765147988 /nfs/dbraw/zinc/14/79/88/765147988.db2.gz POLOVVYOEQIWOV-HZPDHXFCSA-N 1 1 341.415 0.844 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001015698316 765184225 /nfs/dbraw/zinc/18/42/25/765184225.db2.gz ITQDSKNHYBCZRD-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001015698316 765184232 /nfs/dbraw/zinc/18/42/32/765184232.db2.gz ITQDSKNHYBCZRD-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001052832281 765197433 /nfs/dbraw/zinc/19/74/33/765197433.db2.gz WBIWQAOWNIAQHT-JKSUJKDBSA-N 1 1 345.447 0.922 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F ZINC001015711540 765212559 /nfs/dbraw/zinc/21/25/59/765212559.db2.gz KAQPINNBUPKCTC-MJBXVCDLSA-N 1 1 330.363 0.509 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1F ZINC001015711540 765212563 /nfs/dbraw/zinc/21/25/63/765212563.db2.gz KAQPINNBUPKCTC-MJBXVCDLSA-N 1 1 330.363 0.509 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC001052843295 765214691 /nfs/dbraw/zinc/21/46/91/765214691.db2.gz JPZBBKLONZVOSU-CYBMUJFWSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001015718831 765232329 /nfs/dbraw/zinc/23/23/29/765232329.db2.gz ZQUFNHPXVALSCX-GJZGRUSLSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001015718831 765232337 /nfs/dbraw/zinc/23/23/37/765232337.db2.gz ZQUFNHPXVALSCX-GJZGRUSLSA-N 1 1 331.420 0.169 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2nc3ncccn3n2)CC1 ZINC001052931845 765374622 /nfs/dbraw/zinc/37/46/22/765374622.db2.gz DNNHQRBBOQVCAR-AWEZNQCLSA-N 1 1 326.404 0.661 20 30 ECEDMO C=CCCOCC(=O)NC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001052987263 765464149 /nfs/dbraw/zinc/46/41/49/765464149.db2.gz LJJSHSODWUVYCY-GDBMZVCRSA-N 1 1 348.447 0.995 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001017689011 768295098 /nfs/dbraw/zinc/29/50/98/768295098.db2.gz LFEWVBDYRFHVBZ-BETUJISGSA-N 1 1 325.372 0.976 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001017689011 768295102 /nfs/dbraw/zinc/29/51/02/768295102.db2.gz LFEWVBDYRFHVBZ-BETUJISGSA-N 1 1 325.372 0.976 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000992111845 765519717 /nfs/dbraw/zinc/51/97/17/765519717.db2.gz ABFFDONQJBDAIB-ROKHWSDSSA-N 1 1 346.435 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001053047708 765525378 /nfs/dbraw/zinc/52/53/78/765525378.db2.gz RNQDNSUIJUGBIL-CABCVRRESA-N 1 1 346.431 0.122 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)cc1 ZINC001030776930 765541786 /nfs/dbraw/zinc/54/17/86/765541786.db2.gz GLPICXRSONRYEC-HNNXBMFYSA-N 1 1 325.412 0.998 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN2CCOCC2=O)C1 ZINC001053087410 765562519 /nfs/dbraw/zinc/56/25/19/765562519.db2.gz KSJLWKLSQSTOKN-DLBZAZTESA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2nnn(C)n2)C1 ZINC001053093011 765568308 /nfs/dbraw/zinc/56/83/08/765568308.db2.gz KAFZFRSZXSTOGI-CABCVRRESA-N 1 1 330.436 0.940 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)c2nnn(C)n2)C1 ZINC001053093491 765568826 /nfs/dbraw/zinc/56/88/26/765568826.db2.gz NPVZHUKKMFXOGF-HUUCEWRRSA-N 1 1 330.436 0.940 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2O)cc1 ZINC001077493683 765584483 /nfs/dbraw/zinc/58/44/83/765584483.db2.gz GFZNBDHGFFIQNN-BRWVUGGUSA-N 1 1 341.411 0.064 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2O)cc1 ZINC001077493683 765584491 /nfs/dbraw/zinc/58/44/91/765584491.db2.gz GFZNBDHGFFIQNN-BRWVUGGUSA-N 1 1 341.411 0.064 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)CC[N@H+]1C ZINC001106092752 765587880 /nfs/dbraw/zinc/58/78/80/765587880.db2.gz MSAGYBCZTLSLGQ-KCQAQPDRSA-N 1 1 331.420 0.573 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001016014065 765721130 /nfs/dbraw/zinc/72/11/30/765721130.db2.gz SSNDICOLBVDFJJ-UKRRQHHQSA-N 1 1 342.399 0.176 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001016014065 765721135 /nfs/dbraw/zinc/72/11/35/765721135.db2.gz SSNDICOLBVDFJJ-UKRRQHHQSA-N 1 1 342.399 0.176 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016027125 765730283 /nfs/dbraw/zinc/73/02/83/765730283.db2.gz MVSFTPGLTSFURW-CABCVRRESA-N 1 1 342.399 0.536 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001016027125 765730285 /nfs/dbraw/zinc/73/02/85/765730285.db2.gz MVSFTPGLTSFURW-CABCVRRESA-N 1 1 342.399 0.536 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@H]12 ZINC000992168229 765740365 /nfs/dbraw/zinc/74/03/65/765740365.db2.gz CVTYUAINBSKFEL-LLDVTBCESA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nnc4c3CCCC4)CCC[C@H]12 ZINC000992174796 765773227 /nfs/dbraw/zinc/77/32/27/765773227.db2.gz SQFMYSPERQCVFW-WMZOPIPTSA-N 1 1 327.432 0.903 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001099126396 765838781 /nfs/dbraw/zinc/83/87/81/765838781.db2.gz RTICZRRNQPNBCR-OAHLLOKOSA-N 1 1 334.464 0.000 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CCO2 ZINC001053256350 765853568 /nfs/dbraw/zinc/85/35/68/765853568.db2.gz ZTRTUPSAOHBCEK-IAGOWNOFSA-N 1 1 331.460 0.797 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H](O)CNc1ncccc1C#N)CC(C)(C)C ZINC001106108898 765867344 /nfs/dbraw/zinc/86/73/44/765867344.db2.gz RLRMSLUDTWJUDW-AWEZNQCLSA-N 1 1 333.436 0.820 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC000992206070 765890432 /nfs/dbraw/zinc/89/04/32/765890432.db2.gz HIXAZNUFHWQFLK-KNIAUWFNSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)[C@@H]2CCOC2)C1 ZINC000992206070 765890437 /nfs/dbraw/zinc/89/04/37/765890437.db2.gz HIXAZNUFHWQFLK-KNIAUWFNSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)C2=CCOCC2)C1 ZINC000992207387 765898459 /nfs/dbraw/zinc/89/84/59/765898459.db2.gz LXRSHBHLWKXFGW-PREGVCBESA-N 1 1 345.443 0.442 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)C2=CCOCC2)C1 ZINC000992207387 765898463 /nfs/dbraw/zinc/89/84/63/765898463.db2.gz LXRSHBHLWKXFGW-PREGVCBESA-N 1 1 345.443 0.442 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cn(C)c(=O)cn1)CCO2 ZINC001053351428 766015392 /nfs/dbraw/zinc/01/53/92/766015392.db2.gz ZKRIHVSJNSECBY-UHFFFAOYSA-N 1 1 332.404 0.273 20 30 ECEDMO C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001017748819 768345046 /nfs/dbraw/zinc/34/50/46/768345046.db2.gz VDBRYDJXQZTRPW-FNYPPERVSA-N 1 1 329.444 0.548 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)[nH]1 ZINC001007101837 766073678 /nfs/dbraw/zinc/07/36/78/766073678.db2.gz TZHZQLJDEZWABU-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)CCO2 ZINC001053429746 766119938 /nfs/dbraw/zinc/11/99/38/766119938.db2.gz WDLJYOBTPRLPBX-SFHVURJKSA-N 1 1 337.439 0.745 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)cc1 ZINC000992294183 766175442 /nfs/dbraw/zinc/17/54/42/766175442.db2.gz QLLMTLWBDFQYCZ-LPHOPBHVSA-N 1 1 341.411 0.911 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)cc1 ZINC000992294183 766175447 /nfs/dbraw/zinc/17/54/47/766175447.db2.gz QLLMTLWBDFQYCZ-LPHOPBHVSA-N 1 1 341.411 0.911 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001016356027 766178579 /nfs/dbraw/zinc/17/85/79/766178579.db2.gz CITJAGIPDXEOFJ-YMAMQOFZSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001016356027 766178581 /nfs/dbraw/zinc/17/85/81/766178581.db2.gz CITJAGIPDXEOFJ-YMAMQOFZSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3nnnc3C(C)C)CCC[C@H]12 ZINC000992306827 766221827 /nfs/dbraw/zinc/22/18/27/766221827.db2.gz QPPGHQVKCDNOID-YOEHRIQHSA-N 1 1 330.436 0.933 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@H]2C[N@H+](C)[C@@H]2CCNC2=O)nc1 ZINC001089253735 766274879 /nfs/dbraw/zinc/27/48/79/766274879.db2.gz OASMSHBIGOHIAE-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@H]2C[N@H+](C)[C@H]2CCNC2=O)nc1 ZINC001089253736 766274909 /nfs/dbraw/zinc/27/49/09/766274909.db2.gz OASMSHBIGOHIAE-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H](Nc2ccnc(C#N)n2)[C@@H](C)C1 ZINC001112332661 766310981 /nfs/dbraw/zinc/31/09/81/766310981.db2.gz ZTLRIOXZIMBWFW-STQMWFEESA-N 1 1 330.436 0.759 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3COC(=O)N3)C2)cc1C#N ZINC001031647879 766335580 /nfs/dbraw/zinc/33/55/80/766335580.db2.gz UQRUEYOFBYFWGD-CQSZACIVSA-N 1 1 344.371 0.223 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)[C@@H](O)C1 ZINC001083690324 766342761 /nfs/dbraw/zinc/34/27/61/766342761.db2.gz NHVQBCKHARYABT-OLZOCXBDSA-N 1 1 332.404 0.412 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)[C@@H](O)C1 ZINC001083690324 766342771 /nfs/dbraw/zinc/34/27/71/766342771.db2.gz NHVQBCKHARYABT-OLZOCXBDSA-N 1 1 332.404 0.412 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CCC1=O ZINC001045775635 766353964 /nfs/dbraw/zinc/35/39/64/766353964.db2.gz NBQIBQJYXWWKRW-CVEARBPZSA-N 1 1 343.427 0.614 20 30 ECEDMO COC[C@H](C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)O2 ZINC001053588136 766380747 /nfs/dbraw/zinc/38/07/47/766380747.db2.gz PDJPPHPNGIPMEB-JSGCOSHPSA-N 1 1 332.404 0.884 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)cc1 ZINC001045859845 766439163 /nfs/dbraw/zinc/43/91/63/766439163.db2.gz PPHODOYHRJXVDO-CVEARBPZSA-N 1 1 341.411 0.863 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)cc1 ZINC001045859845 766439167 /nfs/dbraw/zinc/43/91/67/766439167.db2.gz PPHODOYHRJXVDO-CVEARBPZSA-N 1 1 341.411 0.863 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H](C)C(N)=O)CC3)cn1 ZINC000992407153 766504412 /nfs/dbraw/zinc/50/44/12/766504412.db2.gz JQSAKZWXCCIGPA-DWQUBVKVSA-N 1 1 326.400 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@H](C)C(N)=O)CC3)cn1 ZINC000992407153 766504420 /nfs/dbraw/zinc/50/44/20/766504420.db2.gz JQSAKZWXCCIGPA-DWQUBVKVSA-N 1 1 326.400 0.664 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001045948623 766520025 /nfs/dbraw/zinc/52/00/25/766520025.db2.gz MTOHDVZOFZZNJA-SFHVURJKSA-N 1 1 345.447 0.310 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001045950466 766521753 /nfs/dbraw/zinc/52/17/53/766521753.db2.gz CGHYWDUHYCOELM-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001045950466 766521759 /nfs/dbraw/zinc/52/17/59/766521759.db2.gz CGHYWDUHYCOELM-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)ccc3=O)CCC[C@@H]12 ZINC000992418565 766529213 /nfs/dbraw/zinc/52/92/13/766529213.db2.gz CVIJBLWRVDWFFP-QAPCUYQASA-N 1 1 328.416 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@H](C)C(=O)NC)CC3)nc1 ZINC000992422488 766532999 /nfs/dbraw/zinc/53/29/99/766532999.db2.gz OHMUBWMJDJKCJJ-NRXGSXMXSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001045982775 766553040 /nfs/dbraw/zinc/55/30/40/766553040.db2.gz FPNCCLJWYGQPGJ-KDOFPFPSSA-N 1 1 348.447 0.865 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cn([C@@H]4CCOC4)nn3)CCC[C@H]12 ZINC000992434504 766559042 /nfs/dbraw/zinc/55/90/42/766559042.db2.gz UDOGLMGYOHSBEO-UKPHBRMFSA-N 1 1 329.404 0.600 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3ncccn3n1)O2 ZINC001053681823 766573551 /nfs/dbraw/zinc/57/35/51/766573551.db2.gz VIFADCQZFCNNJH-CQSZACIVSA-N 1 1 339.399 0.716 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3snnc3C)CC2)C1 ZINC001046003225 766608066 /nfs/dbraw/zinc/60/80/66/766608066.db2.gz ZCSLWHJDCXUKOU-AWEZNQCLSA-N 1 1 333.461 0.702 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cncnc3C)CC2)C1 ZINC001046005995 766613540 /nfs/dbraw/zinc/61/35/40/766613540.db2.gz DCZCRUMIBLDJBL-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO COc1cc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)on1 ZINC001046012066 766638166 /nfs/dbraw/zinc/63/81/66/766638166.db2.gz KKPYTMGNWFDNMO-KGLIPLIRSA-N 1 1 347.419 0.561 20 30 ECEDMO COc1cc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)on1 ZINC001046012066 766638172 /nfs/dbraw/zinc/63/81/72/766638172.db2.gz KKPYTMGNWFDNMO-KGLIPLIRSA-N 1 1 347.419 0.561 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CC)c3)CC2)C1 ZINC001046013814 766645001 /nfs/dbraw/zinc/64/50/01/766645001.db2.gz KPTPIKIGDUZZOY-QGZVFWFLSA-N 1 1 329.448 0.758 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 ZINC001046022559 766669446 /nfs/dbraw/zinc/66/94/46/766669446.db2.gz VAJVRGCHIDWPEX-HOTGVXAUSA-N 1 1 330.436 0.081 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC001046023979 766673924 /nfs/dbraw/zinc/67/39/24/766673924.db2.gz AXGBEYZCSWZUSV-QGZVFWFLSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992483129 766683975 /nfs/dbraw/zinc/68/39/75/766683975.db2.gz YZQUBWCZIUXJRH-DYVFJYSZSA-N 1 1 332.404 0.789 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046028403 766691856 /nfs/dbraw/zinc/69/18/56/766691856.db2.gz BHQXRJUIXUBDCI-DLBZAZTESA-N 1 1 333.480 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C(C)(F)F)C1 ZINC001016668297 766694663 /nfs/dbraw/zinc/69/46/63/766694663.db2.gz MZORFGIWLMMOSX-BPCQOVAHSA-N 1 1 327.375 0.845 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C(C)(F)F)C1 ZINC001016668297 766694670 /nfs/dbraw/zinc/69/46/70/766694670.db2.gz MZORFGIWLMMOSX-BPCQOVAHSA-N 1 1 327.375 0.845 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992487590 766695704 /nfs/dbraw/zinc/69/57/04/766695704.db2.gz DNTJKEAVCAYAGR-CXAGYDPISA-N 1 1 330.388 0.236 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC001046030548 766698442 /nfs/dbraw/zinc/69/84/42/766698442.db2.gz UNCKKUNFJOHJMR-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cnns2)C1 ZINC001016670083 766699151 /nfs/dbraw/zinc/69/91/51/766699151.db2.gz HUPCOAAXMIBTAJ-BPCQOVAHSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cnns2)C1 ZINC001016670083 766699158 /nfs/dbraw/zinc/69/91/58/766699158.db2.gz HUPCOAAXMIBTAJ-BPCQOVAHSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2nn(C)cc2Cl)C1 ZINC000994752610 766703160 /nfs/dbraw/zinc/70/31/60/766703160.db2.gz SYVZJLVWNMDAQU-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2nn(C)cc2Cl)C1 ZINC000994752610 766703170 /nfs/dbraw/zinc/70/31/70/766703170.db2.gz SYVZJLVWNMDAQU-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnc(C)nc2C)C1 ZINC000994750965 766703925 /nfs/dbraw/zinc/70/39/25/766703925.db2.gz JRRVCUKNCDLBPJ-INIZCTEOSA-N 1 1 341.415 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnc(C)nc2C)C1 ZINC000994750965 766703933 /nfs/dbraw/zinc/70/39/33/766703933.db2.gz JRRVCUKNCDLBPJ-INIZCTEOSA-N 1 1 341.415 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2OC)C1 ZINC000994753349 766709440 /nfs/dbraw/zinc/70/94/40/766709440.db2.gz ZCRQIXLZOGQIPH-AWEZNQCLSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2OC)C1 ZINC000994753349 766709444 /nfs/dbraw/zinc/70/94/44/766709444.db2.gz ZCRQIXLZOGQIPH-AWEZNQCLSA-N 1 1 342.399 0.128 20 30 ECEDMO CCN(c1ccc(C#N)c(C)n1)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089627679 766713795 /nfs/dbraw/zinc/71/37/95/766713795.db2.gz QYKZOVIFCIWCGY-CJNGLKHVSA-N 1 1 345.447 0.923 20 30 ECEDMO CCN(c1ccc(C#N)c(C)n1)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089627679 766713802 /nfs/dbraw/zinc/71/38/02/766713802.db2.gz QYKZOVIFCIWCGY-CJNGLKHVSA-N 1 1 345.447 0.923 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2O)C1 ZINC001083763490 766714305 /nfs/dbraw/zinc/71/43/05/766714305.db2.gz NAMQIMHNLYYMQH-KFWWJZLASA-N 1 1 335.448 0.420 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(F)CCOCC3)CC2)C1 ZINC001046035557 766721200 /nfs/dbraw/zinc/72/12/00/766721200.db2.gz OYZMKLXOLNTNPU-MRXNPFEDSA-N 1 1 337.439 0.747 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)C1 ZINC001046036474 766726954 /nfs/dbraw/zinc/72/69/54/766726954.db2.gz LAODSRAFPUMUOG-QFBILLFUSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nnc(C)n4C3)CCC[C@H]12 ZINC000992502950 766732221 /nfs/dbraw/zinc/73/22/21/766732221.db2.gz CNBPBLYGWFUNHZ-RVKKMQEKSA-N 1 1 327.432 0.895 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(F)F)ncn3)CC2)C1 ZINC001046037853 766736995 /nfs/dbraw/zinc/73/69/95/766736995.db2.gz ATJHQAMXGGFSJK-ZDUSSCGKSA-N 1 1 349.385 0.880 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3COC)CC2)C1 ZINC001046038537 766738994 /nfs/dbraw/zinc/73/89/94/766738994.db2.gz MQSNXCYVNPQPNF-HNNXBMFYSA-N 1 1 345.447 0.032 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1OC ZINC001212264306 766739018 /nfs/dbraw/zinc/73/90/18/766739018.db2.gz GARLIERXPOTYCL-DJIMGWMZSA-N 1 1 338.448 0.657 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046040671 766748302 /nfs/dbraw/zinc/74/83/02/766748302.db2.gz HFOUEZJUCLCRIO-QZTJIDSGSA-N 1 1 347.507 0.849 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046042763 766757968 /nfs/dbraw/zinc/75/79/68/766757968.db2.gz MNSMLGYPAPAHIZ-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@H]12 ZINC000992522129 766763638 /nfs/dbraw/zinc/76/36/38/766763638.db2.gz DIPNBZXSAIBIBS-YOEHRIQHSA-N 1 1 346.435 0.456 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncc(OC)cn3)CC2)C1 ZINC001046043854 766763888 /nfs/dbraw/zinc/76/38/88/766763888.db2.gz FXCOKPLLGCUHJC-OAHLLOKOSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]nc2CC)C1 ZINC000994768862 766765304 /nfs/dbraw/zinc/76/53/04/766765304.db2.gz MENAOGIGTYSBQF-HNNXBMFYSA-N 1 1 329.404 0.010 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]nc2CC)C1 ZINC000994768862 766765308 /nfs/dbraw/zinc/76/53/08/766765308.db2.gz MENAOGIGTYSBQF-HNNXBMFYSA-N 1 1 329.404 0.010 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncc(OC)cn3)CC2)C1 ZINC001046044636 766767286 /nfs/dbraw/zinc/76/72/86/766767286.db2.gz NIMGDLYWLBRXDU-AWEZNQCLSA-N 1 1 331.420 0.503 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(OC2CCN(C(=O)CC)CC2)C1 ZINC000994773374 766779862 /nfs/dbraw/zinc/77/98/62/766779862.db2.gz SWKXFHJFBMTPND-KRWDZBQOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(OC2CCN(C(=O)CC)CC2)C1 ZINC000994773374 766779872 /nfs/dbraw/zinc/77/98/72/766779872.db2.gz SWKXFHJFBMTPND-KRWDZBQOSA-N 1 1 347.459 0.712 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046048822 766781154 /nfs/dbraw/zinc/78/11/54/766781154.db2.gz DVDUGWNAMPJWCB-CVEARBPZSA-N 1 1 348.491 0.696 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001046049078 766782780 /nfs/dbraw/zinc/78/27/80/766782780.db2.gz IPGZGSVMWCZPHL-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ccccn3)CC2)C1 ZINC001046050383 766787919 /nfs/dbraw/zinc/78/79/19/766787919.db2.gz LDRMUDLWKJYCKY-SFHVURJKSA-N 1 1 326.444 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H](C)n3ccc(C)n3)CC2)C1 ZINC001046051196 766790731 /nfs/dbraw/zinc/79/07/31/766790731.db2.gz YEJYZQQZXNHFLT-MSOLQXFVSA-N 1 1 343.475 0.994 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)CO2 ZINC001053771031 766798567 /nfs/dbraw/zinc/79/85/67/766798567.db2.gz BVHZGQSSSJGTQJ-QWHCGFSZSA-N 1 1 329.828 0.029 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)CO2 ZINC001053771031 766798569 /nfs/dbraw/zinc/79/85/69/766798569.db2.gz BVHZGQSSSJGTQJ-QWHCGFSZSA-N 1 1 329.828 0.029 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)c3cncnc3)CC2)C1 ZINC001046054389 766801114 /nfs/dbraw/zinc/80/11/14/766801114.db2.gz MGMFGTAPINIHNZ-WBVHZDCISA-N 1 1 327.432 0.432 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC001046056851 766811494 /nfs/dbraw/zinc/81/14/94/766811494.db2.gz VFSLSDFDNOGMIT-HNNXBMFYSA-N 1 1 345.447 0.899 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@@H]3CC[N@H+]([C@@H](C)C(N)=O)C3)CC2)C1 ZINC001046059403 766822637 /nfs/dbraw/zinc/82/26/37/766822637.db2.gz GMLSDGNXJDIWLL-LSDHHAIUSA-N 1 1 334.464 0.435 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCC4)[C@@H]3C2)c1 ZINC001042000013 782579872 /nfs/dbraw/zinc/57/98/72/782579872.db2.gz KFBRYUYFYBEVHE-GDBMZVCRSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC001046062343 766834277 /nfs/dbraw/zinc/83/42/77/766834277.db2.gz FTQBHXIXBBQHAP-OWCLPIDISA-N 1 1 334.464 0.293 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cccnc3C)CC2)C1 ZINC001046064089 766841680 /nfs/dbraw/zinc/84/16/80/766841680.db2.gz FIZSVQQDBSOCFJ-SFHVURJKSA-N 1 1 326.444 0.784 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3Cc4ccncc4C3)CC2)C1 ZINC001046064706 766845866 /nfs/dbraw/zinc/84/58/66/766845866.db2.gz RYJYADCRJBMEOE-IEBWSBKVSA-N 1 1 338.455 0.648 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064838 766846954 /nfs/dbraw/zinc/84/69/54/766846954.db2.gz WESAPYNSJZSNRT-INIZCTEOSA-N 1 1 333.480 0.460 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046068742 766864872 /nfs/dbraw/zinc/86/48/72/766864872.db2.gz RWNIUCXJERSVFZ-WBVHZDCISA-N 1 1 331.464 0.993 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068742 766864881 /nfs/dbraw/zinc/86/48/81/766864881.db2.gz RWNIUCXJERSVFZ-WBVHZDCISA-N 1 1 331.464 0.993 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068742 766864890 /nfs/dbraw/zinc/86/48/90/766864890.db2.gz RWNIUCXJERSVFZ-WBVHZDCISA-N 1 1 331.464 0.993 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)COc3cccnc3)CC2)C1 ZINC001046071121 766877748 /nfs/dbraw/zinc/87/77/48/766877748.db2.gz FXPCDFAUOWQJQD-MRXNPFEDSA-N 1 1 328.416 0.312 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001016767080 766882897 /nfs/dbraw/zinc/88/28/97/766882897.db2.gz WGRUVHZAOHTROP-GRTSSRMGSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CC)nn3)CC2)C1 ZINC001046074389 766889543 /nfs/dbraw/zinc/88/95/43/766889543.db2.gz ACDQABURHIDJHP-OAHLLOKOSA-N 1 1 330.436 0.153 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CCC)nn3)CC2)C1 ZINC001046074783 766891045 /nfs/dbraw/zinc/89/10/45/766891045.db2.gz HAHNGJQCXNDRDL-OAHLLOKOSA-N 1 1 330.436 0.153 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H](C)n3cccn3)CC2)C1 ZINC001046075415 766895082 /nfs/dbraw/zinc/89/50/82/766895082.db2.gz SJQYQZRZABIKNQ-IAGOWNOFSA-N 1 1 329.448 0.686 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC001046075772 766900175 /nfs/dbraw/zinc/90/01/75/766900175.db2.gz YEEDUXQVLZMKAW-GOSISDBHSA-N 1 1 341.459 0.651 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(OC)cc[nH]c3=O)CC2)C1 ZINC001046076382 766902817 /nfs/dbraw/zinc/90/28/17/766902817.db2.gz MSEGCXXQUCENTR-CQSZACIVSA-N 1 1 344.415 0.261 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3conc3COC)CC2)C1 ZINC001046077652 766909408 /nfs/dbraw/zinc/90/94/08/766909408.db2.gz PLQOBJDMRKLAQK-OAHLLOKOSA-N 1 1 346.431 0.676 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)COc3ccccc3)CC2)C1 ZINC001046079955 766914411 /nfs/dbraw/zinc/91/44/11/766914411.db2.gz IDBHPRZEBWMQNU-KRWDZBQOSA-N 1 1 327.428 0.917 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC001046080233 766915907 /nfs/dbraw/zinc/91/59/07/766915907.db2.gz CRZBRIOWLJHHGM-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nn(C)c3F)CC2)C1 ZINC001046080446 766916783 /nfs/dbraw/zinc/91/67/83/766916783.db2.gz GXKILAXMTVSMLC-OAHLLOKOSA-N 1 1 347.438 0.723 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046082043 766921066 /nfs/dbraw/zinc/92/10/66/766921066.db2.gz RRLBXTSFDYVWRU-ZWKOTPCHSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3csc(C)n3)CC2)C1 ZINC001046083756 766923526 /nfs/dbraw/zinc/92/35/26/766923526.db2.gz ZKYXINIIFNBGME-MRXNPFEDSA-N 1 1 332.473 0.846 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccnc3C)CC2)C1 ZINC001046083982 766923576 /nfs/dbraw/zinc/92/35/76/766923576.db2.gz GJJFWOHVLKFHBT-QGZVFWFLSA-N 1 1 331.464 0.986 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC001046084138 766924312 /nfs/dbraw/zinc/92/43/12/766924312.db2.gz KPTRHTXHUUJLLF-CQSZACIVSA-N 1 1 331.420 0.132 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)N3CCCC3=O)CC2)C1 ZINC001046086089 766928323 /nfs/dbraw/zinc/92/83/23/766928323.db2.gz LTZWXWIUJGKYFE-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046086354 766928583 /nfs/dbraw/zinc/92/85/83/766928583.db2.gz WDLYNGHFWNVVMU-IAGOWNOFSA-N 1 1 333.480 0.603 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC001046089862 766931959 /nfs/dbraw/zinc/93/19/59/766931959.db2.gz KCFSAGWUHYKQSU-QGZVFWFLSA-N 1 1 346.479 0.542 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)c3nonc3C)CC2)C1 ZINC001046090363 766932491 /nfs/dbraw/zinc/93/24/91/766932491.db2.gz UKIJMGXQTBIRLA-ZDUSSCGKSA-N 1 1 339.827 0.963 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3nonc3C)CC2)C1 ZINC001046090363 766932492 /nfs/dbraw/zinc/93/24/92/766932492.db2.gz UKIJMGXQTBIRLA-ZDUSSCGKSA-N 1 1 339.827 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)C3CCOCC3)C2)C1=O ZINC001046097834 766935049 /nfs/dbraw/zinc/93/50/49/766935049.db2.gz IRPNELYICSYJOI-YJBOKZPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)C)C1)CO2 ZINC001053822839 766941767 /nfs/dbraw/zinc/94/17/67/766941767.db2.gz XCKQLIJSYTXLIP-GJZGRUSLSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001046116679 766943564 /nfs/dbraw/zinc/94/35/64/766943564.db2.gz BSJOSPZNNXBIQP-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001046116679 766943570 /nfs/dbraw/zinc/94/35/70/766943570.db2.gz BSJOSPZNNXBIQP-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CCC1 ZINC001046119567 766947970 /nfs/dbraw/zinc/94/79/70/766947970.db2.gz FPTKIXKIWFLFOA-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OCCOC)c2)[C@H](OC)C1 ZINC001212269989 766976162 /nfs/dbraw/zinc/97/61/62/766976162.db2.gz AQWHYUSQVRAJAH-HZPDHXFCSA-N 1 1 347.415 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nnc(CC)o2)C1 ZINC001031742596 766991292 /nfs/dbraw/zinc/99/12/92/766991292.db2.gz MKBPVGFCLUWGSV-HIFRSBDPSA-N 1 1 345.447 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nnc(CC)o2)C1 ZINC001031742596 766991294 /nfs/dbraw/zinc/99/12/94/766991294.db2.gz MKBPVGFCLUWGSV-HIFRSBDPSA-N 1 1 345.447 0.839 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3n(n1)CCCO3)CO2 ZINC001053867985 767079465 /nfs/dbraw/zinc/07/94/65/767079465.db2.gz ZCLUSWZHDKYSGS-CYBMUJFWSA-N 1 1 332.404 0.815 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nncn3CC1)CO2 ZINC001053873954 767100253 /nfs/dbraw/zinc/10/02/53/767100253.db2.gz OGJDIVRFDBENMM-CABCVRRESA-N 1 1 345.447 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccns2)C1 ZINC000938756475 767107281 /nfs/dbraw/zinc/10/72/81/767107281.db2.gz PUYANHCRZKHZCJ-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccns2)C1 ZINC000938756475 767107284 /nfs/dbraw/zinc/10/72/84/767107284.db2.gz PUYANHCRZKHZCJ-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc(C)no2)C1 ZINC000938756700 767108166 /nfs/dbraw/zinc/10/81/66/767108166.db2.gz VRIBREDLWSETPX-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc(C)no2)C1 ZINC000938756700 767108168 /nfs/dbraw/zinc/10/81/68/767108168.db2.gz VRIBREDLWSETPX-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)CC[N@H+]1C ZINC001106141309 767114842 /nfs/dbraw/zinc/11/48/42/767114842.db2.gz AWEZLDKYAAXDNE-QLFBSQMISA-N 1 1 331.420 0.573 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046288284 767129014 /nfs/dbraw/zinc/12/90/14/767129014.db2.gz NFVWNOIGXVTVAM-RHSMWYFYSA-N 1 1 328.372 0.747 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046288284 767129015 /nfs/dbraw/zinc/12/90/15/767129015.db2.gz NFVWNOIGXVTVAM-RHSMWYFYSA-N 1 1 328.372 0.747 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046289252 767129860 /nfs/dbraw/zinc/12/98/60/767129860.db2.gz SYQZWYCCJLUFPL-SWLSCSKDSA-N 1 1 334.401 0.809 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046289252 767129862 /nfs/dbraw/zinc/12/98/62/767129862.db2.gz SYQZWYCCJLUFPL-SWLSCSKDSA-N 1 1 334.401 0.809 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001089729655 767133479 /nfs/dbraw/zinc/13/34/79/767133479.db2.gz RMUFGDFBFRCLCE-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001089735946 767137225 /nfs/dbraw/zinc/13/72/25/767137225.db2.gz RKPVAOWHRCEQPL-STQMWFEESA-N 1 1 329.466 0.471 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001046311530 767140761 /nfs/dbraw/zinc/14/07/61/767140761.db2.gz DPRIYXWXQPILEH-ZIAGYGMSSA-N 1 1 335.448 0.372 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046318557 767145494 /nfs/dbraw/zinc/14/54/94/767145494.db2.gz CPZZGUSDCWEYBP-VKJFTORMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046318557 767145495 /nfs/dbraw/zinc/14/54/95/767145495.db2.gz CPZZGUSDCWEYBP-VKJFTORMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cnnn1 ZINC001089768837 767149712 /nfs/dbraw/zinc/14/97/12/767149712.db2.gz DCQWWDMRDPIUNT-FZKCQIBNSA-N 1 1 330.436 0.808 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001046329389 767152019 /nfs/dbraw/zinc/15/20/19/767152019.db2.gz NZDKQZLJJBWHOX-OSAQELSMSA-N 1 1 347.394 0.730 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001046329389 767152020 /nfs/dbraw/zinc/15/20/20/767152020.db2.gz NZDKQZLJJBWHOX-OSAQELSMSA-N 1 1 347.394 0.730 20 30 ECEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001046445134 767229774 /nfs/dbraw/zinc/22/97/74/767229774.db2.gz AJDYLFXTSVXSIG-AWEZNQCLSA-N 1 1 327.406 0.697 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001046445058 767229781 /nfs/dbraw/zinc/22/97/81/767229781.db2.gz YXCBAWASGKZPNW-GOSISDBHSA-N 1 1 331.416 0.712 20 30 ECEDMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805876 767233659 /nfs/dbraw/zinc/23/36/59/767233659.db2.gz LZCODRGMSIRYMZ-HPBDAGMYSA-N 1 1 339.443 0.897 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1nnc(C)[nH]1 ZINC001089806676 767234093 /nfs/dbraw/zinc/23/40/93/767234093.db2.gz SHLQOLLQWQNJQS-JJXSEGSLSA-N 1 1 327.432 0.848 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CS(=O)(=O)C1 ZINC001089807428 767235754 /nfs/dbraw/zinc/23/57/54/767235754.db2.gz ZKHCWELOAUFSTJ-XZDPQHSOSA-N 1 1 336.457 0.223 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@H](OC)C1 ZINC001212338396 767258453 /nfs/dbraw/zinc/25/84/53/767258453.db2.gz IKYYQQQWHOFJSO-GDBMZVCRSA-N 1 1 336.436 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3coc(OC)n3)C2)C1=O ZINC001046518355 767275330 /nfs/dbraw/zinc/27/53/30/767275330.db2.gz MASKVPZRWJNVJU-DYVFJYSZSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3coc(OC)n3)C2)C1=O ZINC001046518355 767275331 /nfs/dbraw/zinc/27/53/31/767275331.db2.gz MASKVPZRWJNVJU-DYVFJYSZSA-N 1 1 348.403 0.664 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001046540953 767292095 /nfs/dbraw/zinc/29/20/95/767292095.db2.gz BKVZQTAUAKATPN-QAPCUYQASA-N 1 1 341.415 0.662 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001046577564 767322879 /nfs/dbraw/zinc/32/28/79/767322879.db2.gz UILPVSLXNNGPGI-UXOAXIEHSA-N 1 1 328.420 0.853 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046588692 767340159 /nfs/dbraw/zinc/34/01/59/767340159.db2.gz QZVDHCFHTLRJEQ-YOEHRIQHSA-N 1 1 327.388 0.320 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046588692 767340166 /nfs/dbraw/zinc/34/01/66/767340166.db2.gz QZVDHCFHTLRJEQ-YOEHRIQHSA-N 1 1 327.388 0.320 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC001046605989 767357865 /nfs/dbraw/zinc/35/78/65/767357865.db2.gz ZXDBBROJUQRPTK-IBGZPJMESA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC001046605989 767357871 /nfs/dbraw/zinc/35/78/71/767357871.db2.gz ZXDBBROJUQRPTK-IBGZPJMESA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cccc(NC(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001127639040 767366411 /nfs/dbraw/zinc/36/64/11/767366411.db2.gz SCCRZWOFSKCMAA-RHSMWYFYSA-N 1 1 342.443 0.652 20 30 ECEDMO C#Cc1cccc(NC(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001127639040 767366418 /nfs/dbraw/zinc/36/64/18/767366418.db2.gz SCCRZWOFSKCMAA-RHSMWYFYSA-N 1 1 342.443 0.652 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)cn1 ZINC001089829218 767367705 /nfs/dbraw/zinc/36/77/05/767367705.db2.gz UQFJMPBWADMPJV-AYDFFVQHSA-N 1 1 328.416 0.749 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccc4nnnn4c3)C2)cc1 ZINC001031844201 767369669 /nfs/dbraw/zinc/36/96/69/767369669.db2.gz DIYWTIBYYYLCRX-UHFFFAOYSA-N 1 1 347.382 0.858 20 30 ECEDMO C=CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924457 767373527 /nfs/dbraw/zinc/37/35/27/767373527.db2.gz UEKAXQYQTFAZCI-LSDHHAIUSA-N 1 1 330.432 0.899 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)CO2 ZINC001053940962 767410587 /nfs/dbraw/zinc/41/05/87/767410587.db2.gz PEXDCSVEQULYHG-OAHLLOKOSA-N 1 1 330.432 0.989 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001046646752 767414822 /nfs/dbraw/zinc/41/48/22/767414822.db2.gz DOAKBMDMWMCKSF-GUIRCDHDSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001046646752 767414828 /nfs/dbraw/zinc/41/48/28/767414828.db2.gz DOAKBMDMWMCKSF-GUIRCDHDSA-N 1 1 344.419 0.374 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ccc(C)cc1=O)CO2 ZINC001053945253 767421036 /nfs/dbraw/zinc/42/10/36/767421036.db2.gz QQPSIFYOOZXANI-OAHLLOKOSA-N 1 1 331.416 0.692 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 ZINC001127649449 767437982 /nfs/dbraw/zinc/43/79/82/767437982.db2.gz QMWGZNXHQJTCLX-UHFFFAOYSA-N 1 1 337.387 0.806 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001046670882 767448747 /nfs/dbraw/zinc/44/87/47/767448747.db2.gz ADRZIRNDGXEXQP-YOEHRIQHSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001046672536 767455071 /nfs/dbraw/zinc/45/50/71/767455071.db2.gz VXNMXUKYCRJHHK-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc3ncccn3n1)CO2 ZINC001053959663 767455027 /nfs/dbraw/zinc/45/50/27/767455027.db2.gz DMGSKUXRWPVXME-GFCCVEGCSA-N 1 1 328.376 0.274 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001046684764 767478843 /nfs/dbraw/zinc/47/88/43/767478843.db2.gz MAWIQDWKWDCWRN-GJZGRUSLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001046695048 767497075 /nfs/dbraw/zinc/49/70/75/767497075.db2.gz BENDBZFEOWWHLF-UHFFFAOYSA-N 1 1 349.475 0.764 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001046697476 767506123 /nfs/dbraw/zinc/50/61/23/767506123.db2.gz KYAJLWIPRYUPSO-PDOTXMHQSA-N 1 1 334.420 0.521 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCN(C(N)=O)CC1)CO2 ZINC001054004426 767570746 /nfs/dbraw/zinc/57/07/46/767570746.db2.gz NEPCGXHXJISMJB-CQSZACIVSA-N 1 1 336.436 0.313 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001046753559 767591053 /nfs/dbraw/zinc/59/10/53/767591053.db2.gz ZSPNQHPLDYIDJJ-FVQBIDKESA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001046753559 767591060 /nfs/dbraw/zinc/59/10/60/767591060.db2.gz ZSPNQHPLDYIDJJ-FVQBIDKESA-N 1 1 343.431 0.899 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@H]1CCCNC1=O ZINC001017106656 767595453 /nfs/dbraw/zinc/59/54/53/767595453.db2.gz JSRQWVUDHLNFOM-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017125795 767627993 /nfs/dbraw/zinc/62/79/93/767627993.db2.gz FSGFCWULOXHYIR-HIFRSBDPSA-N 1 1 330.436 0.855 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017125795 767627996 /nfs/dbraw/zinc/62/79/96/767627996.db2.gz FSGFCWULOXHYIR-HIFRSBDPSA-N 1 1 330.436 0.855 20 30 ECEDMO CC#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001054036611 767635246 /nfs/dbraw/zinc/63/52/46/767635246.db2.gz OUDBFIZGKLRXQT-RTBURBONSA-N 1 1 341.455 0.883 20 30 ECEDMO CC#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001054036611 767635249 /nfs/dbraw/zinc/63/52/49/767635249.db2.gz OUDBFIZGKLRXQT-RTBURBONSA-N 1 1 341.455 0.883 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001054036616 767636247 /nfs/dbraw/zinc/63/62/47/767636247.db2.gz OXVBQCROLQEWQL-MSOLQXFVSA-N 1 1 327.428 0.493 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001054036616 767636254 /nfs/dbraw/zinc/63/62/54/767636254.db2.gz OXVBQCROLQEWQL-MSOLQXFVSA-N 1 1 327.428 0.493 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001054039591 767638088 /nfs/dbraw/zinc/63/80/88/767638088.db2.gz DATGRVSBFMBUTL-CVEARBPZSA-N 1 1 327.384 0.661 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054048769 767647550 /nfs/dbraw/zinc/64/75/50/767647550.db2.gz IHNAUVGALMEQMU-SJORKVTESA-N 1 1 340.427 0.576 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054048769 767647554 /nfs/dbraw/zinc/64/75/54/767647554.db2.gz IHNAUVGALMEQMU-SJORKVTESA-N 1 1 340.427 0.576 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001054102534 767690800 /nfs/dbraw/zinc/69/08/00/767690800.db2.gz OFSGXMFZTGPKBP-QAPCUYQASA-N 1 1 348.447 0.319 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCCS1(=O)=O)C2 ZINC001054140886 767734837 /nfs/dbraw/zinc/73/48/37/767734837.db2.gz BEUUDWAAFFUFIL-MRXNPFEDSA-N 1 1 341.477 0.522 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ccc(=O)n(C)c1=O)C2 ZINC001054141738 767736494 /nfs/dbraw/zinc/73/64/94/767736494.db2.gz OOLFDAMJYUEIPB-SFHVURJKSA-N 1 1 346.431 0.048 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2 ZINC001054153557 767749298 /nfs/dbraw/zinc/74/92/98/767749298.db2.gz SUYLPIAEVNQOSJ-ZBFHGGJFSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC3N=NC(=O)N3C1)C2 ZINC001054155652 767751629 /nfs/dbraw/zinc/75/16/29/767751629.db2.gz WIKXALXCSBEKMS-RDTXWAMCSA-N 1 1 343.431 0.494 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054161729 767759329 /nfs/dbraw/zinc/75/93/29/767759329.db2.gz NLQARMBIPJKQQM-GDBMZVCRSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054161729 767759331 /nfs/dbraw/zinc/75/93/31/767759331.db2.gz NLQARMBIPJKQQM-GDBMZVCRSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)nn1 ZINC001054213331 767811134 /nfs/dbraw/zinc/81/11/34/767811134.db2.gz XMCMRUXUCUXZBD-QGZVFWFLSA-N 1 1 346.435 0.268 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)nn1 ZINC001054213331 767811142 /nfs/dbraw/zinc/81/11/42/767811142.db2.gz XMCMRUXUCUXZBD-QGZVFWFLSA-N 1 1 346.435 0.268 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001054213558 767811818 /nfs/dbraw/zinc/81/18/18/767811818.db2.gz HELWMRJNVCFOOK-GOSISDBHSA-N 1 1 333.432 0.930 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001054214985 767813965 /nfs/dbraw/zinc/81/39/65/767813965.db2.gz JCOZGPIHXMABMJ-KRWDZBQOSA-N 1 1 334.420 0.429 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)C1 ZINC000992943287 767818809 /nfs/dbraw/zinc/81/88/09/767818809.db2.gz PJHWORDQHKIWQO-FCEWJHQRSA-N 1 1 329.444 0.658 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001054225404 767831908 /nfs/dbraw/zinc/83/19/08/767831908.db2.gz WLJPDIHYDFTPEM-SFHVURJKSA-N 1 1 348.447 0.819 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(=O)n(C)n1)C2 ZINC001054236752 767845622 /nfs/dbraw/zinc/84/56/22/767845622.db2.gz NDILAFHFPGTZBQ-SFHVURJKSA-N 1 1 328.416 0.732 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)CCC1=O)C2 ZINC001054238426 767848110 /nfs/dbraw/zinc/84/81/10/767848110.db2.gz UECCUNRBPIJEJA-GOSISDBHSA-N 1 1 331.416 0.473 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(C)CCOCCNc1ccncc1C#N ZINC001127346625 768372433 /nfs/dbraw/zinc/37/24/33/768372433.db2.gz DXYRSXSLXKHALF-UHFFFAOYSA-N 1 1 333.436 0.604 20 30 ECEDMO CN(CCOCCNc1cnc(C#N)cn1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001127348110 768383866 /nfs/dbraw/zinc/38/38/66/768383866.db2.gz WNOYAFACOGKCHS-AWEZNQCLSA-N 1 1 346.435 0.577 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CCn1cncn1 ZINC000993195401 768417917 /nfs/dbraw/zinc/41/79/17/768417917.db2.gz HMYLMFIMVFHOHT-WFASDCNBSA-N 1 1 327.392 0.761 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nnc2c1CCCC2 ZINC001017959019 768553208 /nfs/dbraw/zinc/55/32/08/768553208.db2.gz OABRQEUEKOWYPL-GASCZTMLSA-N 1 1 327.432 0.855 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1coc(OC)n1 ZINC001077541849 768610323 /nfs/dbraw/zinc/61/03/23/768610323.db2.gz SYQSDMOKJGCIAN-JSGCOSHPSA-N 1 1 348.403 0.405 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1coc(OC)n1 ZINC001077541849 768610326 /nfs/dbraw/zinc/61/03/26/768610326.db2.gz SYQSDMOKJGCIAN-JSGCOSHPSA-N 1 1 348.403 0.405 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001042059140 782691805 /nfs/dbraw/zinc/69/18/05/782691805.db2.gz ZZTVAYHHSYLIEA-SJORKVTESA-N 1 1 345.443 0.181 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001042059140 782691812 /nfs/dbraw/zinc/69/18/12/782691812.db2.gz ZZTVAYHHSYLIEA-SJORKVTESA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCOCC)C[C@H]2C1 ZINC001055242190 768697752 /nfs/dbraw/zinc/69/77/52/768697752.db2.gz GRFRIZNARDEMTQ-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCOCC)C[C@H]2C1 ZINC001055242190 768697758 /nfs/dbraw/zinc/69/77/58/768697758.db2.gz GRFRIZNARDEMTQ-BBWFWOEESA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001055251405 768710478 /nfs/dbraw/zinc/71/04/78/768710478.db2.gz APTSADRMLDHFJS-CAOSSQGBSA-N 1 1 333.432 0.036 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001055252234 768712574 /nfs/dbraw/zinc/71/25/74/768712574.db2.gz YXELTZPSJNXZFB-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268915 768725139 /nfs/dbraw/zinc/72/51/39/768725139.db2.gz WNQHCQLISXNJGB-OWCLPIDISA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268915 768725142 /nfs/dbraw/zinc/72/51/42/768725142.db2.gz WNQHCQLISXNJGB-OWCLPIDISA-N 1 1 335.448 0.590 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055270003 768726802 /nfs/dbraw/zinc/72/68/02/768726802.db2.gz XKMRXLFDQGUHGM-XHSDSOJGSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055270003 768726805 /nfs/dbraw/zinc/72/68/05/768726805.db2.gz XKMRXLFDQGUHGM-XHSDSOJGSA-N 1 1 333.432 0.037 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001042059139 782691786 /nfs/dbraw/zinc/69/17/86/782691786.db2.gz ZZTVAYHHSYLIEA-IRXDYDNUSA-N 1 1 345.443 0.181 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001042059139 782691790 /nfs/dbraw/zinc/69/17/90/782691790.db2.gz ZZTVAYHHSYLIEA-IRXDYDNUSA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N ZINC001055294960 768749157 /nfs/dbraw/zinc/74/91/57/768749157.db2.gz QOSNHZQELMCHQI-RJZRQDKASA-N 1 1 326.404 0.668 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 ZINC001055294770 768749275 /nfs/dbraw/zinc/74/92/75/768749275.db2.gz NAPSUMFGKJOPIO-KBXIAJHMSA-N 1 1 326.404 0.668 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055313275 768768548 /nfs/dbraw/zinc/76/85/48/768768548.db2.gz JIVOBWKSTYZBPO-OAFZBRQQSA-N 1 1 349.475 0.572 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H]1C ZINC000993326521 768768721 /nfs/dbraw/zinc/76/87/21/768768721.db2.gz AVCRXZACHXWXSW-UONOGXRCSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H]1C ZINC000993326523 768768813 /nfs/dbraw/zinc/76/88/13/768768813.db2.gz AVCRXZACHXWXSW-ZIAGYGMSSA-N 1 1 333.432 0.764 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055324715 768782992 /nfs/dbraw/zinc/78/29/92/768782992.db2.gz DMAZBBWUDYKDLM-YESZJQIVSA-N 1 1 331.460 0.904 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001055339793 768796673 /nfs/dbraw/zinc/79/66/73/768796673.db2.gz IKIXCQSRLFXXGV-OAGGEKHMSA-N 1 1 347.459 0.426 20 30 ECEDMO CCN(CCNc1cc(C)ncc1C#N)C(=O)CC[NH+]1CCOCC1 ZINC001106798249 769012259 /nfs/dbraw/zinc/01/22/59/769012259.db2.gz VQTLNKKYJCHBSD-UHFFFAOYSA-N 1 1 345.447 0.666 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2cnn(CC)n2)CC1 ZINC001055570177 769141267 /nfs/dbraw/zinc/14/12/67/769141267.db2.gz GVJOMBYKVDKTRV-UHFFFAOYSA-N 1 1 348.451 0.575 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055578928 769176176 /nfs/dbraw/zinc/17/61/76/769176176.db2.gz ZYCKCJHMFKHIDK-OAHLLOKOSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055578928 769176181 /nfs/dbraw/zinc/17/61/81/769176181.db2.gz ZYCKCJHMFKHIDK-OAHLLOKOSA-N 1 1 336.480 0.601 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H](C)OC)C2)CC1 ZINC001018357514 769181248 /nfs/dbraw/zinc/18/12/48/769181248.db2.gz GZHWRCMOUQQLNI-CVEARBPZSA-N 1 1 335.448 0.427 20 30 ECEDMO Cc1cnoc1C(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055631255 769302111 /nfs/dbraw/zinc/30/21/11/769302111.db2.gz DMTQCNUNUGIYHI-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C ZINC000993587785 769375425 /nfs/dbraw/zinc/37/54/25/769375425.db2.gz OYOKOCXKHNYTJB-ZIAGYGMSSA-N 1 1 332.404 0.106 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)s1 ZINC001078357992 782766108 /nfs/dbraw/zinc/76/61/08/782766108.db2.gz GONWUVSFDKXWBI-VXGBXAGGSA-N 1 1 337.449 0.967 20 30 ECEDMO CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078358062 782767589 /nfs/dbraw/zinc/76/75/89/782767589.db2.gz ILXQZVQXDNYORJ-ZIAGYGMSSA-N 1 1 334.424 0.555 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC001018633069 769684964 /nfs/dbraw/zinc/68/49/64/769684964.db2.gz SWNIYDGOFWJUJD-QWRGUYRKSA-N 1 1 327.348 0.377 20 30 ECEDMO Cn1nc(C2CC2)nc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001018731848 769821148 /nfs/dbraw/zinc/82/11/48/769821148.db2.gz LTAMJDRJYINJIJ-ZDUSSCGKSA-N 1 1 339.403 0.897 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001055832877 769899743 /nfs/dbraw/zinc/89/97/43/769899743.db2.gz WVXJUNOHGWWYQP-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO C=CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055837165 769918093 /nfs/dbraw/zinc/91/80/93/769918093.db2.gz KTWIWPOJSRUTKW-CRAIPNDOSA-N 1 1 337.464 0.907 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccon3)C2)c1 ZINC001078368710 782792914 /nfs/dbraw/zinc/79/29/14/782792914.db2.gz ACGJCBYESJBNAB-AWEZNQCLSA-N 1 1 329.360 0.895 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]21 ZINC001042115799 782796351 /nfs/dbraw/zinc/79/63/51/782796351.db2.gz BZDFWCWYVDTGTA-GOEBONIOSA-N 1 1 328.416 0.832 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001042115801 782796360 /nfs/dbraw/zinc/79/63/60/782796360.db2.gz BZDFWCWYVDTGTA-ZBFHGGJFSA-N 1 1 328.416 0.832 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC001018830393 770031879 /nfs/dbraw/zinc/03/18/79/770031879.db2.gz IZCIOXHFLOPRLP-HNNXBMFYSA-N 1 1 336.399 0.766 20 30 ECEDMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1 ZINC001078373760 782799139 /nfs/dbraw/zinc/79/91/39/782799139.db2.gz IMNOEQXXNYYQSA-CYBMUJFWSA-N 1 1 343.391 0.036 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H]1C ZINC000994089127 770117530 /nfs/dbraw/zinc/11/75/30/770117530.db2.gz DTZUAXRLEDFRFP-JKSUJKDBSA-N 1 1 330.432 0.853 20 30 ECEDMO N#Cc1cnc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)cn1 ZINC001055912675 770190236 /nfs/dbraw/zinc/19/02/36/770190236.db2.gz OATRBPIUQBJIKQ-ZBFHGGJFSA-N 1 1 340.431 0.871 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001055923363 770232406 /nfs/dbraw/zinc/23/24/06/770232406.db2.gz GPVOEZSDBXYBKM-HNNXBMFYSA-N 1 1 342.447 0.975 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)nn1 ZINC001055928388 770250240 /nfs/dbraw/zinc/25/02/40/770250240.db2.gz QSBUEMNMEPYGOV-CQSZACIVSA-N 1 1 337.387 0.771 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000994201538 770292680 /nfs/dbraw/zinc/29/26/80/770292680.db2.gz RHVOHOJFTIGWAJ-CQSZACIVSA-N 1 1 330.432 0.957 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055939624 770295213 /nfs/dbraw/zinc/29/52/13/770295213.db2.gz DJAVYLPKRHSOTE-QFBILLFUSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994205315 770300854 /nfs/dbraw/zinc/30/08/54/770300854.db2.gz JLGMWOJJVYKQOI-CZUORRHYSA-N 1 1 346.431 0.334 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994205315 770300863 /nfs/dbraw/zinc/30/08/63/770300863.db2.gz JLGMWOJJVYKQOI-CZUORRHYSA-N 1 1 346.431 0.334 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C ZINC000994207025 770305780 /nfs/dbraw/zinc/30/57/80/770305780.db2.gz FIAWNNZNFLTLPY-RYUDHWBXSA-N 1 1 330.392 0.576 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001042138098 782835985 /nfs/dbraw/zinc/83/59/85/782835985.db2.gz KVWAYNCUJUBSJE-XJKSGUPXSA-N 1 1 328.416 0.684 20 30 ECEDMO Oc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1O ZINC000916310106 770445530 /nfs/dbraw/zinc/44/55/30/770445530.db2.gz NVBYOLWJAATRJP-UHFFFAOYSA-N 1 1 338.433 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ncnn2CC)C1 ZINC001018986181 770485786 /nfs/dbraw/zinc/48/57/86/770485786.db2.gz UMKUURSPKBMJMS-GJZGRUSLSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ncnn2CC)C1 ZINC001018986181 770485789 /nfs/dbraw/zinc/48/57/89/770485789.db2.gz UMKUURSPKBMJMS-GJZGRUSLSA-N 1 1 330.436 0.086 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]21 ZINC001042140452 782842307 /nfs/dbraw/zinc/84/23/07/782842307.db2.gz AQEBWQBXPXMDMY-KGLIPLIRSA-N 1 1 332.404 0.448 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2CCN(C(=O)COc3c(C)occc3=O)C[C@@H]21 ZINC001042142375 782843418 /nfs/dbraw/zinc/84/34/18/782843418.db2.gz NWZRFKSUQVGCMZ-GJZGRUSLSA-N 1 1 330.384 0.883 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)COc3c(C)occc3=O)C[C@@H]21 ZINC001042142375 782843428 /nfs/dbraw/zinc/84/34/28/782843428.db2.gz NWZRFKSUQVGCMZ-GJZGRUSLSA-N 1 1 330.384 0.883 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019011221 770563103 /nfs/dbraw/zinc/56/31/03/770563103.db2.gz DBQYRWHCEYXPON-UHFFFAOYSA-N 1 1 326.400 0.666 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC001056020746 770578028 /nfs/dbraw/zinc/57/80/28/770578028.db2.gz XMPOSRCSZWDIRV-AWEZNQCLSA-N 1 1 328.420 0.790 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001056031464 770614694 /nfs/dbraw/zinc/61/46/94/770614694.db2.gz AAGBMEIQPTZKDL-WMLDXEAASA-N 1 1 338.452 0.348 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC000994336440 770635224 /nfs/dbraw/zinc/63/52/24/770635224.db2.gz KEHYXMVSFXVHQS-OLZOCXBDSA-N 1 1 334.420 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001056054965 770691114 /nfs/dbraw/zinc/69/11/14/770691114.db2.gz BGFGHBVDKUSQMW-FPXQBCRKSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001056054965 770691120 /nfs/dbraw/zinc/69/11/20/770691120.db2.gz BGFGHBVDKUSQMW-FPXQBCRKSA-N 1 1 347.459 0.210 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001056067677 770733923 /nfs/dbraw/zinc/73/39/23/770733923.db2.gz HXELTPIJNICZAF-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001019108747 770807033 /nfs/dbraw/zinc/80/70/33/770807033.db2.gz SPCAOZJLUJIXRJ-KGLIPLIRSA-N 1 1 341.415 0.981 20 30 ECEDMO CCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001078398738 782871148 /nfs/dbraw/zinc/87/11/48/782871148.db2.gz SMTXUDAWOYEJNG-HNNXBMFYSA-N 1 1 331.420 0.419 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)c3cc(CCC)[nH]n3)C2)C1=O ZINC001019219488 771014943 /nfs/dbraw/zinc/01/49/43/771014943.db2.gz XDFXELDIVRNWGU-LSDHHAIUSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC(C)(C)C1 ZINC001089391501 771026172 /nfs/dbraw/zinc/02/61/72/771026172.db2.gz MNUSUBBYLKZWNC-CYBMUJFWSA-N 1 1 348.451 0.560 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001056236120 771028383 /nfs/dbraw/zinc/02/83/83/771028383.db2.gz RZFKOGILJYIFPV-DLTWYDFYSA-N 1 1 340.431 0.773 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3ccccc3)C2)C1 ZINC001031418813 771037342 /nfs/dbraw/zinc/03/73/42/771037342.db2.gz NVWZMIQBTBYADM-SFHVURJKSA-N 1 1 327.428 0.559 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3ccccc3)C2)C1 ZINC001031418813 771037347 /nfs/dbraw/zinc/03/73/47/771037347.db2.gz NVWZMIQBTBYADM-SFHVURJKSA-N 1 1 327.428 0.559 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1 ZINC001056254749 771047218 /nfs/dbraw/zinc/04/72/18/771047218.db2.gz RXXUBZNREICBOP-HVOFVXBASA-N 1 1 326.404 0.241 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](F)CC)C2)C1 ZINC001019287982 771106956 /nfs/dbraw/zinc/10/69/56/771106956.db2.gz JYQPNHOIKUJIDB-GJZGRUSLSA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](F)CC)C2)C1 ZINC001019287982 771106957 /nfs/dbraw/zinc/10/69/57/771106957.db2.gz JYQPNHOIKUJIDB-GJZGRUSLSA-N 1 1 335.423 0.893 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC(C)(C)C1 ZINC001089423961 771125302 /nfs/dbraw/zinc/12/53/02/771125302.db2.gz QSMSSUAYLRYQCJ-OAHLLOKOSA-N 1 1 336.480 0.553 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC)[C@H]3C2)cc1 ZINC001042180636 782901049 /nfs/dbraw/zinc/90/10/49/782901049.db2.gz WGUQUHPUYWSIIP-RDJZCZTQSA-N 1 1 325.412 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC)[C@H]3C2)cc1 ZINC001042180636 782901057 /nfs/dbraw/zinc/90/10/57/782901057.db2.gz WGUQUHPUYWSIIP-RDJZCZTQSA-N 1 1 325.412 0.950 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001019366912 771212163 /nfs/dbraw/zinc/21/21/63/771212163.db2.gz LVPUDJWRAWMKPU-KBPBESRZSA-N 1 1 341.415 0.981 20 30 ECEDMO C=C(Br)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]nn2)C1 ZINC001019404635 771258709 /nfs/dbraw/zinc/25/87/09/771258709.db2.gz YDANNECPQHPCOT-NSHDSACASA-N 1 1 328.214 0.836 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(C)nc3)C2)C1=O ZINC001031552253 771268034 /nfs/dbraw/zinc/26/80/34/771268034.db2.gz QHLRQIVRSQBROJ-MRXNPFEDSA-N 1 1 328.416 0.839 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCOCCNc1ccncc1C#N ZINC001127472608 771300873 /nfs/dbraw/zinc/30/08/73/771300873.db2.gz QPEYGPHTZLVDGD-ZBFHGGJFSA-N 1 1 345.447 0.460 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127487053 771337345 /nfs/dbraw/zinc/33/73/45/771337345.db2.gz YXPWMFICNLYJFW-AWEZNQCLSA-N 1 1 346.435 0.719 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001019488282 771351459 /nfs/dbraw/zinc/35/14/59/771351459.db2.gz ZVQFXVHWTRGWOR-BPUTZDHNSA-N 1 1 333.436 0.877 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C#CC(C)C ZINC001212241036 771357922 /nfs/dbraw/zinc/35/79/22/771357922.db2.gz IIHFDMCIEACTKK-RRFJBIMHSA-N 1 1 331.420 0.240 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccccc3C#N)C2)C1 ZINC001031595132 771365180 /nfs/dbraw/zinc/36/51/80/771365180.db2.gz RMXIRHRERRZDPO-KRWDZBQOSA-N 1 1 328.416 0.437 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(Cc3ccccc3C#N)C2)C1 ZINC001031595132 771365183 /nfs/dbraw/zinc/36/51/83/771365183.db2.gz RMXIRHRERRZDPO-KRWDZBQOSA-N 1 1 328.416 0.437 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1cnc(F)cn1 ZINC001127511498 771407324 /nfs/dbraw/zinc/40/73/24/771407324.db2.gz XKOSDHYQQSKLQK-AWEZNQCLSA-N 1 1 349.410 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCOCCNc1cnc(F)cn1 ZINC001127511498 771407329 /nfs/dbraw/zinc/40/73/29/771407329.db2.gz XKOSDHYQQSKLQK-AWEZNQCLSA-N 1 1 349.410 0.600 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)CC(C)(C)C1 ZINC001089535847 771411485 /nfs/dbraw/zinc/41/14/85/771411485.db2.gz VJBXOZNCQHSUSH-ZDUSSCGKSA-N 1 1 334.420 0.168 20 30 ECEDMO Cc1nc(N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001056599254 771419293 /nfs/dbraw/zinc/41/92/93/771419293.db2.gz DKZPOXGSANGSMV-CABCVRRESA-N 1 1 329.404 0.605 20 30 ECEDMO Cc1nc(N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001056599254 771419296 /nfs/dbraw/zinc/41/92/96/771419296.db2.gz DKZPOXGSANGSMV-CABCVRRESA-N 1 1 329.404 0.605 20 30 ECEDMO CN(CCOCCNc1ccncc1C#N)C(=O)C[N@@H+](C)C1CCC1 ZINC001127515554 771420123 /nfs/dbraw/zinc/42/01/23/771420123.db2.gz YYXHKTIBWMLMQH-UHFFFAOYSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)CC(C)(C)C1 ZINC001089538741 771429718 /nfs/dbraw/zinc/42/97/18/771429718.db2.gz FAOGENICKVAXBZ-OAHLLOKOSA-N 1 1 330.432 0.792 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)C3CC(F)(F)C3)C2)C1=O ZINC001031609183 771430372 /nfs/dbraw/zinc/43/03/72/771430372.db2.gz PGMJJNIFQSOWPN-ZDUSSCGKSA-N 1 1 327.375 0.867 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CCCO1 ZINC001089546121 771445328 /nfs/dbraw/zinc/44/53/28/771445328.db2.gz GJXGELAPQKJIMI-GOEBONIOSA-N 1 1 346.431 0.843 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCCO1 ZINC001089547843 771448411 /nfs/dbraw/zinc/44/84/11/771448411.db2.gz GSNADYCVVSLUST-OAHLLOKOSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC(C)(C)C1 ZINC001089555944 771474105 /nfs/dbraw/zinc/47/41/05/771474105.db2.gz OCOJTYMMKVKKGG-ZDUSSCGKSA-N 1 1 336.436 0.721 20 30 ECEDMO Cc1nc(N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)ccc1C#N ZINC001056667160 771490428 /nfs/dbraw/zinc/49/04/28/771490428.db2.gz XYLLJADMDPQANN-MRXNPFEDSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)C2CCN(C(=O)C3(C)CC3)CC2)C1=O ZINC001089572577 771543076 /nfs/dbraw/zinc/54/30/76/771543076.db2.gz TZVSVJPYUGYILB-MRXNPFEDSA-N 1 1 349.475 0.859 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)C1 ZINC001019590003 771553777 /nfs/dbraw/zinc/55/37/77/771553777.db2.gz KEMWBWFMLIMWIO-JKSUJKDBSA-N 1 1 333.432 0.085 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@@H](Nc3ccnc(C#N)n3)C2)no1 ZINC001056727115 771561932 /nfs/dbraw/zinc/56/19/32/771561932.db2.gz JONWVZSSMVNBFT-LLVKDONJSA-N 1 1 341.375 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CC2)CCCO1 ZINC001019611577 771592996 /nfs/dbraw/zinc/59/29/96/771592996.db2.gz LNROVBHRRFYGMB-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CC2)CCCO1 ZINC001019611577 771592998 /nfs/dbraw/zinc/59/29/98/771592998.db2.gz LNROVBHRRFYGMB-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CC3CCOCC3)C2)CC1 ZINC001019815256 771830309 /nfs/dbraw/zinc/83/03/09/771830309.db2.gz CIWLQZAAQKZKND-SFHVURJKSA-N 1 1 333.476 0.949 20 30 ECEDMO CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056942372 771840288 /nfs/dbraw/zinc/84/02/88/771840288.db2.gz WWDWPGLFNUSABC-UONOGXRCSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057027319 771963145 /nfs/dbraw/zinc/96/31/45/771963145.db2.gz DTFADWMMZYDCAZ-KBPBESRZSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001057053009 772001686 /nfs/dbraw/zinc/00/16/86/772001686.db2.gz UUVFQXQHSRITML-BPLDGKMQSA-N 1 1 328.420 0.726 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057060647 772014984 /nfs/dbraw/zinc/01/49/84/772014984.db2.gz OIFOCOHYYUUXJC-CVEARBPZSA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057060647 772014989 /nfs/dbraw/zinc/01/49/89/772014989.db2.gz OIFOCOHYYUUXJC-CVEARBPZSA-N 1 1 338.415 0.483 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)nn3)C2)O1 ZINC001057062723 772019876 /nfs/dbraw/zinc/01/98/76/772019876.db2.gz SCJIPTBVZKJSTL-BPLDGKMQSA-N 1 1 344.419 0.104 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)nn3)C2)O1 ZINC001057062723 772019881 /nfs/dbraw/zinc/01/98/81/772019881.db2.gz SCJIPTBVZKJSTL-BPLDGKMQSA-N 1 1 344.419 0.104 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001057066320 772027310 /nfs/dbraw/zinc/02/73/10/772027310.db2.gz PCOUNAUZKVKWHE-ZIAGYGMSSA-N 1 1 328.420 0.870 20 30 ECEDMO Cc1cc(N2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001057115359 772108633 /nfs/dbraw/zinc/10/86/33/772108633.db2.gz OWNCJWDPNTUYBM-KRWDZBQOSA-N 1 1 343.431 0.631 20 30 ECEDMO Cc1cc(N2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001057115359 772108634 /nfs/dbraw/zinc/10/86/34/772108634.db2.gz OWNCJWDPNTUYBM-KRWDZBQOSA-N 1 1 343.431 0.631 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3nccnc3C#N)CC2)C1 ZINC001057146670 772165316 /nfs/dbraw/zinc/16/53/16/772165316.db2.gz ILJUNEIOAYBMII-OAHLLOKOSA-N 1 1 344.419 0.108 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3nccnc3C#N)CC2)C1 ZINC001057146670 772165319 /nfs/dbraw/zinc/16/53/19/772165319.db2.gz ILJUNEIOAYBMII-OAHLLOKOSA-N 1 1 344.419 0.108 20 30 ECEDMO C#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001057213443 772289669 /nfs/dbraw/zinc/28/96/69/772289669.db2.gz IKDNDUDPMMZMRG-QGZVFWFLSA-N 1 1 343.427 0.313 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CCC[C@@H]1C)NC(=O)c1ccc(C#N)[nH]1 ZINC001078466342 783000300 /nfs/dbraw/zinc/00/03/00/783000300.db2.gz ZDOGAGAQWROZDY-STQMWFEESA-N 1 1 331.420 0.995 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)C1 ZINC001020249732 772349155 /nfs/dbraw/zinc/34/91/55/772349155.db2.gz HZPCXOHSOPZLAA-BPUTZDHNSA-N 1 1 333.432 0.226 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)C1 ZINC001020249732 772349160 /nfs/dbraw/zinc/34/91/60/772349160.db2.gz HZPCXOHSOPZLAA-BPUTZDHNSA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)CC[N@H+]1C ZINC001020299310 772414597 /nfs/dbraw/zinc/41/45/97/772414597.db2.gz GSKCQDBDNDXQRG-OSRDXIQISA-N 1 1 343.431 0.946 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3ncccc3C#N)CC2)C1 ZINC001057303486 772433554 /nfs/dbraw/zinc/43/35/54/772433554.db2.gz YSGHULSYSUGBNS-HNNXBMFYSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3ncccc3C#N)CC2)C1 ZINC001057303486 772433557 /nfs/dbraw/zinc/43/35/57/772433557.db2.gz YSGHULSYSUGBNS-HNNXBMFYSA-N 1 1 329.404 0.687 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001078471693 783014849 /nfs/dbraw/zinc/01/48/49/783014849.db2.gz BFASJWFPEZZEKE-OAGGEKHMSA-N 1 1 349.435 0.113 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)c3[nH]nc4c3CCC4)C2)C1=O ZINC001020345269 772474472 /nfs/dbraw/zinc/47/44/72/772474472.db2.gz TZORNQYYFWRYGI-HUBLWGQQSA-N 1 1 343.431 0.536 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001057445016 772621911 /nfs/dbraw/zinc/62/19/11/772621911.db2.gz CMSXRDDTNYZERJ-HNNXBMFYSA-N 1 1 346.431 0.501 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057535980 772731337 /nfs/dbraw/zinc/73/13/37/772731337.db2.gz IPNROKVBHPMSPU-SJORKVTESA-N 1 1 347.459 0.354 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057538260 772733699 /nfs/dbraw/zinc/73/36/99/772733699.db2.gz ZELXMXHMOJJTPY-IAGOWNOFSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C1CCC(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001057636026 772843378 /nfs/dbraw/zinc/84/33/78/772843378.db2.gz LWHFULHUHNDNJX-INIZCTEOSA-N 1 1 337.464 0.622 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](Nc2cncc(C#N)n2)C1 ZINC001057652742 772868454 /nfs/dbraw/zinc/86/84/54/772868454.db2.gz GXZLUYFONUOIBK-CYBMUJFWSA-N 1 1 325.376 0.956 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739175 772955738 /nfs/dbraw/zinc/95/57/38/772955738.db2.gz OZTLPHCFYSABNS-HUUCEWRRSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2nccc(OC)n2)C1 ZINC001057773927 772974863 /nfs/dbraw/zinc/97/48/63/772974863.db2.gz ZGUUTCZDJBKTDX-GJZGRUSLSA-N 1 1 343.431 0.986 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2nccc(OC)n2)C1 ZINC001057773927 772974866 /nfs/dbraw/zinc/97/48/66/772974866.db2.gz ZGUUTCZDJBKTDX-GJZGRUSLSA-N 1 1 343.431 0.986 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(c3ncccc3C#N)CC2)C1 ZINC001057786103 772981769 /nfs/dbraw/zinc/98/17/69/772981769.db2.gz HIOFNJOMQSVSQP-MRXNPFEDSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CCN(c3ncccc3C#N)CC2)C1 ZINC001057786103 772981771 /nfs/dbraw/zinc/98/17/71/772981771.db2.gz HIOFNJOMQSVSQP-MRXNPFEDSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CCC1 ZINC001076837475 783073155 /nfs/dbraw/zinc/07/31/55/783073155.db2.gz GIHVPVWEYGWOBM-JKSUJKDBSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCC1 ZINC001076837475 783073157 /nfs/dbraw/zinc/07/31/57/783073157.db2.gz GIHVPVWEYGWOBM-JKSUJKDBSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCn1cccc1C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001057902298 773161328 /nfs/dbraw/zinc/16/13/28/773161328.db2.gz GKWSERDJQFYOLA-OAHLLOKOSA-N 1 1 348.447 0.319 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001057903461 773163940 /nfs/dbraw/zinc/16/39/40/773163940.db2.gz KSHYIBJNYHQQPB-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057928952 773204569 /nfs/dbraw/zinc/20/45/69/773204569.db2.gz DOZBPTSEQWAKOB-HNNXBMFYSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C(C)(C)[N@H+](C)CC ZINC001057942709 773236541 /nfs/dbraw/zinc/23/65/41/773236541.db2.gz QXAYONKZMLBTCG-CQSZACIVSA-N 1 1 343.468 0.245 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001040605153 783089252 /nfs/dbraw/zinc/08/92/52/783089252.db2.gz HJBQKOWYKCWYEA-GOSISDBHSA-N 1 1 337.464 0.601 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001040613414 783101613 /nfs/dbraw/zinc/10/16/13/783101613.db2.gz LBMMGHHWNKENDG-APWZRJJASA-N 1 1 349.475 0.601 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(c2nccnc2C#N)CC1 ZINC001058087285 773508521 /nfs/dbraw/zinc/50/85/21/773508521.db2.gz MPBLOMDVPGZVQY-DZGCQCFKSA-N 1 1 342.447 0.973 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058087239 773508638 /nfs/dbraw/zinc/50/86/38/773508638.db2.gz KUWQBOLTRZWTCV-CJNGLKHVSA-N 1 1 342.447 0.973 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058158435 773661480 /nfs/dbraw/zinc/66/14/80/773661480.db2.gz YMVQMQPVQVTUTB-MAUKXSAKSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001058288267 773923890 /nfs/dbraw/zinc/92/38/90/773923890.db2.gz XKLVPQPGNJFWEK-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001058304243 773939068 /nfs/dbraw/zinc/93/90/68/773939068.db2.gz ZIVBBANSHVSONE-UONOGXRCSA-N 1 1 325.453 0.333 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058373504 774055987 /nfs/dbraw/zinc/05/59/87/774055987.db2.gz KADLDYJUDVKVCY-QWHCGFSZSA-N 1 1 328.420 0.557 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3nc(C)ccc3C#N)C2)C1 ZINC001058376176 774060155 /nfs/dbraw/zinc/06/01/55/774060155.db2.gz GVFBUYQATNMSHE-HZPDHXFCSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3nc(C)ccc3C#N)C2)C1 ZINC001058376176 774060162 /nfs/dbraw/zinc/06/01/62/774060162.db2.gz GVFBUYQATNMSHE-HZPDHXFCSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058376693 774060540 /nfs/dbraw/zinc/06/05/40/774060540.db2.gz TXMBPPCAGMOHRU-GOEBONIOSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058376693 774060546 /nfs/dbraw/zinc/06/05/46/774060546.db2.gz TXMBPPCAGMOHRU-GOEBONIOSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058376905 774061821 /nfs/dbraw/zinc/06/18/21/774061821.db2.gz YZJBKDPNSVDKIL-ZFWWWQNUSA-N 1 1 347.394 0.508 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058376905 774061827 /nfs/dbraw/zinc/06/18/27/774061827.db2.gz YZJBKDPNSVDKIL-ZFWWWQNUSA-N 1 1 347.394 0.508 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001058434997 774173512 /nfs/dbraw/zinc/17/35/12/774173512.db2.gz BZKNITUENRYULV-CABCVRRESA-N 1 1 327.469 0.724 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058468796 774245276 /nfs/dbraw/zinc/24/52/76/774245276.db2.gz RHJUIZZSLFEKOP-CVEARBPZSA-N 1 1 339.480 0.868 20 30 ECEDMO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001039830978 783170269 /nfs/dbraw/zinc/17/02/69/783170269.db2.gz MVQFRUMUIOQBLT-KSSFIOAISA-N 1 1 346.431 0.471 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001058525766 774363250 /nfs/dbraw/zinc/36/32/50/774363250.db2.gz ZVMRUUULKQYMKR-KCQAQPDRSA-N 1 1 328.420 0.773 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C)n3)C2)nn1 ZINC001058567556 774450367 /nfs/dbraw/zinc/45/03/67/774450367.db2.gz YXAFBFLVKUDQRS-ZDUSSCGKSA-N 1 1 327.392 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncnc(CC)c2F)C1 ZINC001058589814 774491907 /nfs/dbraw/zinc/49/19/07/774491907.db2.gz NFUBBPDOXIWNNF-ZFWWWQNUSA-N 1 1 345.422 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncnc(CC)c2F)C1 ZINC001058589814 774491913 /nfs/dbraw/zinc/49/19/13/774491913.db2.gz NFUBBPDOXIWNNF-ZFWWWQNUSA-N 1 1 345.422 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nccc(SC)n2)C1 ZINC001058590714 774492728 /nfs/dbraw/zinc/49/27/28/774492728.db2.gz LHBZMZLICUQIEK-KGLIPLIRSA-N 1 1 345.472 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nccc(SC)n2)C1 ZINC001058590714 774492732 /nfs/dbraw/zinc/49/27/32/774492732.db2.gz LHBZMZLICUQIEK-KGLIPLIRSA-N 1 1 345.472 0.991 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3cnon3)C[C@@H]2C)CC1 ZINC001044870862 774693944 /nfs/dbraw/zinc/69/39/44/774693944.db2.gz HBIVOWPFHFWZGT-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039867544 783205431 /nfs/dbraw/zinc/20/54/31/783205431.db2.gz KVMKFFZJWHATPH-GPMSIDNRSA-N 1 1 349.475 0.600 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1)c1nnnn1C ZINC001044979354 774792949 /nfs/dbraw/zinc/79/29/49/774792949.db2.gz QNLZMNKBNQSXPC-JQWIXIFHSA-N 1 1 328.380 0.365 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001044985958 774801650 /nfs/dbraw/zinc/80/16/50/774801650.db2.gz PTQZKGDBFDPCLP-UONOGXRCSA-N 1 1 337.464 0.618 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001044998662 774814999 /nfs/dbraw/zinc/81/49/99/774814999.db2.gz JYHIQAWIYMUAPX-INIZCTEOSA-N 1 1 349.475 0.742 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2CCF)[nH]1 ZINC001045000784 774818561 /nfs/dbraw/zinc/81/85/61/774818561.db2.gz YODYSEJQCDXGAR-ZDUSSCGKSA-N 1 1 345.382 0.842 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001045003409 774822596 /nfs/dbraw/zinc/82/25/96/774822596.db2.gz SIFRURAPZLYPBT-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001045059637 774912488 /nfs/dbraw/zinc/91/24/88/774912488.db2.gz USVCUPVMTMQDNT-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)C1 ZINC001045101521 774978840 /nfs/dbraw/zinc/97/88/40/774978840.db2.gz APYCMKJIMHLQAR-MRXNPFEDSA-N 1 1 349.475 0.457 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001045237825 775198687 /nfs/dbraw/zinc/19/86/87/775198687.db2.gz VJOZNVRJKBLVLX-JYJNAYRXSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2n2ccnn2)CC1 ZINC001070016644 790335788 /nfs/dbraw/zinc/33/57/88/790335788.db2.gz WDVBASFZTKJEPH-IMJJTQAJSA-N 1 1 333.436 0.747 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](n2ccnn2)C1 ZINC001070023123 790358418 /nfs/dbraw/zinc/35/84/18/790358418.db2.gz CFCDNGSDJUWDGJ-KGLIPLIRSA-N 1 1 328.376 0.528 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](n2ccnn2)C1 ZINC001070023123 790358431 /nfs/dbraw/zinc/35/84/31/790358431.db2.gz CFCDNGSDJUWDGJ-KGLIPLIRSA-N 1 1 328.376 0.528 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(C#N)cn2)C1 ZINC001045431169 775603894 /nfs/dbraw/zinc/60/38/94/775603894.db2.gz ZOLHRANKRVROOH-KFWWJZLASA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(C#N)cn2)C1 ZINC001045431169 775603899 /nfs/dbraw/zinc/60/38/99/775603899.db2.gz ZOLHRANKRVROOH-KFWWJZLASA-N 1 1 344.419 0.518 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001045458519 775639957 /nfs/dbraw/zinc/63/99/57/775639957.db2.gz DIFVYPOZPGLNSV-UHFFFAOYSA-N 1 1 325.453 0.763 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028897 790382565 /nfs/dbraw/zinc/38/25/65/790382565.db2.gz KHLWBEVCAYNSKH-BBWFWOEESA-N 1 1 346.479 0.928 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028897 790382573 /nfs/dbraw/zinc/38/25/73/790382573.db2.gz KHLWBEVCAYNSKH-BBWFWOEESA-N 1 1 346.479 0.928 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2OC)[C@@H](n2ccnn2)C1 ZINC001070029161 790385082 /nfs/dbraw/zinc/38/50/82/790385082.db2.gz YEMXMAHVZWAMAT-OLZOCXBDSA-N 1 1 344.375 0.229 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2OC)[C@@H](n2ccnn2)C1 ZINC001070029161 790385091 /nfs/dbraw/zinc/38/50/91/790385091.db2.gz YEMXMAHVZWAMAT-OLZOCXBDSA-N 1 1 344.375 0.229 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044298564 776090780 /nfs/dbraw/zinc/09/07/80/776090780.db2.gz NQVKKSHHEUABOY-MRXNPFEDSA-N 1 1 325.453 0.620 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O ZINC001044314222 776125067 /nfs/dbraw/zinc/12/50/67/776125067.db2.gz LSMSHTCKAVCVLI-CABCVRRESA-N 1 1 340.387 0.133 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001044364541 776222374 /nfs/dbraw/zinc/22/23/74/776222374.db2.gz ZNSPPWBSQOBYOL-INIZCTEOSA-N 1 1 341.411 0.065 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044469852 776330052 /nfs/dbraw/zinc/33/00/52/776330052.db2.gz GXXMPQZJKFXSLD-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001044528146 776400493 /nfs/dbraw/zinc/40/04/93/776400493.db2.gz WWFLSCRHJVQPPO-PWSUYJOCSA-N 1 1 328.380 0.193 20 30 ECEDMO Cc1nc(N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)ccc1C#N ZINC001044538042 776408171 /nfs/dbraw/zinc/40/81/71/776408171.db2.gz JDMVFJQDTVUBES-WQVCFCJDSA-N 1 1 343.431 0.412 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055909 790467479 /nfs/dbraw/zinc/46/74/79/790467479.db2.gz XESQDZJXERFNMC-KGLIPLIRSA-N 1 1 329.408 0.849 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001068539766 790518217 /nfs/dbraw/zinc/51/82/17/790518217.db2.gz RTCJVRFUXLRJAI-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001080009280 777222713 /nfs/dbraw/zinc/22/27/13/777222713.db2.gz XJPZDWHLCJGIMY-KRWDZBQOSA-N 1 1 345.443 0.183 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001080009280 777222715 /nfs/dbraw/zinc/22/27/15/777222715.db2.gz XJPZDWHLCJGIMY-KRWDZBQOSA-N 1 1 345.443 0.183 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001070075733 790521657 /nfs/dbraw/zinc/52/16/57/790521657.db2.gz BZPAFUWLDNDDGB-CVEARBPZSA-N 1 1 343.435 0.562 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001070076875 790524637 /nfs/dbraw/zinc/52/46/37/790524637.db2.gz ZBBXFJAYOGXING-CABCVRRESA-N 1 1 329.408 0.265 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001070076875 790524647 /nfs/dbraw/zinc/52/46/47/790524647.db2.gz ZBBXFJAYOGXING-CABCVRRESA-N 1 1 329.408 0.265 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001080061271 777321262 /nfs/dbraw/zinc/32/12/62/777321262.db2.gz LZAVLFTWRKCJLD-MWLCHTKSSA-N 1 1 326.784 0.138 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001080061271 777321268 /nfs/dbraw/zinc/32/12/68/777321268.db2.gz LZAVLFTWRKCJLD-MWLCHTKSSA-N 1 1 326.784 0.138 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001080231510 777585847 /nfs/dbraw/zinc/58/58/47/777585847.db2.gz MBOLSFSLMFAHIE-DGCLKSJQSA-N 1 1 344.423 0.710 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070085542 790553503 /nfs/dbraw/zinc/55/35/03/790553503.db2.gz FMWCWKBZHXOYFK-OAGGEKHMSA-N 1 1 346.435 0.064 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080259915 777620829 /nfs/dbraw/zinc/62/08/29/777620829.db2.gz NICBISPMHLDXDW-DAXOMENPSA-N 1 1 326.400 0.631 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001080284752 777645756 /nfs/dbraw/zinc/64/57/56/777645756.db2.gz NCAMNGOIRZZOEX-RBSFLKMASA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001080284752 777645764 /nfs/dbraw/zinc/64/57/64/777645764.db2.gz NCAMNGOIRZZOEX-RBSFLKMASA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001043099228 777728335 /nfs/dbraw/zinc/72/83/35/777728335.db2.gz GVZSEFMBCQMIID-JKSUJKDBSA-N 1 1 334.464 0.400 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043133042 777795227 /nfs/dbraw/zinc/79/52/27/777795227.db2.gz KZKGGSGBGDSRFV-UHFFFAOYSA-N 1 1 334.420 0.483 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458927 777890392 /nfs/dbraw/zinc/89/03/92/777890392.db2.gz KHRXJNLCGIXRAS-MXASKKJJSA-N 1 1 325.412 0.596 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458927 777890400 /nfs/dbraw/zinc/89/04/00/777890400.db2.gz KHRXJNLCGIXRAS-MXASKKJJSA-N 1 1 325.412 0.596 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC001068563394 790576614 /nfs/dbraw/zinc/57/66/14/790576614.db2.gz QBXWDRCVOJBKEQ-HZPDHXFCSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001043202207 777946243 /nfs/dbraw/zinc/94/62/43/777946243.db2.gz BQSRHOYHMMOWJU-GFCCVEGCSA-N 1 1 343.855 0.549 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043209316 777966543 /nfs/dbraw/zinc/96/65/43/777966543.db2.gz RAYGVERAHVJPQR-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3C#N)C2)C1 ZINC001043211653 777973193 /nfs/dbraw/zinc/97/31/93/777973193.db2.gz QNQNAEVEVCOBFW-KBRIMQKVSA-N 1 1 343.431 0.355 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3C#N)C2)C1 ZINC001043211653 777973197 /nfs/dbraw/zinc/97/31/97/777973197.db2.gz QNQNAEVEVCOBFW-KBRIMQKVSA-N 1 1 343.431 0.355 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080559765 778038152 /nfs/dbraw/zinc/03/81/52/778038152.db2.gz NJASXWPKFKOGEK-OAHLLOKOSA-N 1 1 335.448 0.427 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001043251853 778047793 /nfs/dbraw/zinc/04/77/93/778047793.db2.gz NROCKXMKRBBRDJ-UMVBOHGHSA-N 1 1 328.420 0.949 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2C)nn1 ZINC001080589894 778101825 /nfs/dbraw/zinc/10/18/25/778101825.db2.gz RAMYECRGNFCUJH-QLFBSQMISA-N 1 1 333.436 0.941 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C(C)C)C2)CCC1 ZINC001043353143 778212804 /nfs/dbraw/zinc/21/28/04/778212804.db2.gz RCLXBQHNRBKUIB-UHFFFAOYSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001043417127 778294687 /nfs/dbraw/zinc/29/46/87/778294687.db2.gz ZCQUXNAWPMXTGI-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043429768 778312949 /nfs/dbraw/zinc/31/29/49/778312949.db2.gz FOIDQQKMQGUIQA-UONOGXRCSA-N 1 1 325.453 0.474 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001043435963 778331016 /nfs/dbraw/zinc/33/10/16/778331016.db2.gz OTLDOKLLGVCPKG-DZGCQCFKSA-N 1 1 344.415 0.138 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043615455 778597525 /nfs/dbraw/zinc/59/75/25/778597525.db2.gz QWTMLHFCWWJUGV-KGLIPLIRSA-N 1 1 339.480 0.864 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001070109418 790634630 /nfs/dbraw/zinc/63/46/30/790634630.db2.gz VWWBYMQCMBRLCX-CVEARBPZSA-N 1 1 341.419 0.253 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001070109418 790634632 /nfs/dbraw/zinc/63/46/32/790634632.db2.gz VWWBYMQCMBRLCX-CVEARBPZSA-N 1 1 341.419 0.253 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 ZINC001068587182 790640231 /nfs/dbraw/zinc/64/02/31/790640231.db2.gz SFMWEQDLWJVNBY-KGLIPLIRSA-N 1 1 336.436 0.362 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 ZINC001068615313 790715191 /nfs/dbraw/zinc/71/51/91/790715191.db2.gz NMWPVLNHABAULX-BPUTZDHNSA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 ZINC001068615313 790715199 /nfs/dbraw/zinc/71/51/99/790715199.db2.gz NMWPVLNHABAULX-BPUTZDHNSA-N 1 1 338.415 0.753 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC001042301334 780022451 /nfs/dbraw/zinc/02/24/51/780022451.db2.gz GKZCBDGJTXOTAM-UONOGXRCSA-N 1 1 348.447 0.816 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 ZINC001042302663 780024554 /nfs/dbraw/zinc/02/45/54/780024554.db2.gz WDJZNMPMPVSLON-KGLIPLIRSA-N 1 1 334.420 0.427 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 ZINC001042311013 780049151 /nfs/dbraw/zinc/04/91/51/780049151.db2.gz DGAFSZQUWJDBIY-ZIAGYGMSSA-N 1 1 334.420 0.379 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]21 ZINC001042312805 780054214 /nfs/dbraw/zinc/05/42/14/780054214.db2.gz QDGBYODFXYYFTO-GHMZBOCLSA-N 1 1 334.376 0.619 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001042348175 780113972 /nfs/dbraw/zinc/11/39/72/780113972.db2.gz GWCVWORAHPKLDU-OLZOCXBDSA-N 1 1 327.388 0.135 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@H]21 ZINC001042348820 780116279 /nfs/dbraw/zinc/11/62/79/780116279.db2.gz FYDMFTBICJZBIF-UONOGXRCSA-N 1 1 330.388 0.868 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@@H]1n1ccnn1 ZINC001070154901 790773640 /nfs/dbraw/zinc/77/36/40/790773640.db2.gz CKJBZNXWSIWHPM-MCIONIFRSA-N 1 1 349.826 0.830 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](n2ccnn2)C1 ZINC001070159441 790785278 /nfs/dbraw/zinc/78/52/78/790785278.db2.gz CLMKOBLYPAXAJG-XYPHTWIQSA-N 1 1 349.398 0.851 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2ccc(C#N)cc2)C1 ZINC001042572953 780464084 /nfs/dbraw/zinc/46/40/84/780464084.db2.gz ASUYXCXHFRXFFN-KRWDZBQOSA-N 1 1 328.416 0.531 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2ccc(C#N)cc2)C1 ZINC001042572953 780464086 /nfs/dbraw/zinc/46/40/86/780464086.db2.gz ASUYXCXHFRXFFN-KRWDZBQOSA-N 1 1 328.416 0.531 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2ccc(C#N)cc2F)C1 ZINC001042572999 780464428 /nfs/dbraw/zinc/46/44/28/780464428.db2.gz CGGADDHOKWTECV-QGZVFWFLSA-N 1 1 346.406 0.671 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2ccc(C#N)cc2F)C1 ZINC001042572999 780464431 /nfs/dbraw/zinc/46/44/31/780464431.db2.gz CGGADDHOKWTECV-QGZVFWFLSA-N 1 1 346.406 0.671 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001042584824 780484721 /nfs/dbraw/zinc/48/47/21/780484721.db2.gz JHQVVJOHYNVBPU-UIBBOPPKSA-N 1 1 342.447 0.938 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001042633456 780564115 /nfs/dbraw/zinc/56/41/15/780564115.db2.gz FJJHMQNJKVJPEF-BPLDGKMQSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001042664038 780607657 /nfs/dbraw/zinc/60/76/57/780607657.db2.gz LUPHGARQKAKXMQ-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO CN(c1cncc(C#N)n1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001068656952 790818337 /nfs/dbraw/zinc/81/83/37/790818337.db2.gz HMQBUUOHGOHJMN-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001042805203 780853234 /nfs/dbraw/zinc/85/32/34/780853234.db2.gz LBJIJFHYQPISSQ-GJZGRUSLSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)CCc3nc[nH]n3)[C@@H]3COC[C@@H]32)CC1 ZINC001079233786 780909330 /nfs/dbraw/zinc/90/93/30/780909330.db2.gz WMMRRUHIAXCMDF-LSDHHAIUSA-N 1 1 343.431 0.310 20 30 ECEDMO CN(c1nccnc1C#N)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001068664209 790837444 /nfs/dbraw/zinc/83/74/44/790837444.db2.gz ZHPIYRFIHIZLMP-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1nccnc1C#N)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001068664209 790837459 /nfs/dbraw/zinc/83/74/59/790837459.db2.gz ZHPIYRFIHIZLMP-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCOC(C)C)C1 ZINC001079355301 781021736 /nfs/dbraw/zinc/02/17/36/781021736.db2.gz UMTLXZIRJUPASF-KRWDZBQOSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCOC(C)C)C1 ZINC001079355301 781021740 /nfs/dbraw/zinc/02/17/40/781021740.db2.gz UMTLXZIRJUPASF-KRWDZBQOSA-N 1 1 349.475 0.958 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001042941532 781074306 /nfs/dbraw/zinc/07/43/06/781074306.db2.gz NMYOHQLEADOODO-HOTGVXAUSA-N 1 1 347.459 0.352 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ncoc3C)C2)C1=O ZINC001079471631 781157069 /nfs/dbraw/zinc/15/70/69/781157069.db2.gz LFEHMLFETZVSTQ-BNOWGMLFSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ncoc3C)C2)C1=O ZINC001079471631 781157073 /nfs/dbraw/zinc/15/70/73/781157073.db2.gz LFEHMLFETZVSTQ-BNOWGMLFSA-N 1 1 332.404 0.820 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493479 781180949 /nfs/dbraw/zinc/18/09/49/781180949.db2.gz RLBYHOXBIMHBCU-LERXQTSPSA-N 1 1 332.429 0.835 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493479 781180952 /nfs/dbraw/zinc/18/09/52/781180952.db2.gz RLBYHOXBIMHBCU-LERXQTSPSA-N 1 1 332.429 0.835 20 30 ECEDMO CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001079581397 781286120 /nfs/dbraw/zinc/28/61/20/781286120.db2.gz NJFIFYKLYLUATC-DAXOMENPSA-N 1 1 343.431 0.946 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001079581397 781286123 /nfs/dbraw/zinc/28/61/23/781286123.db2.gz NJFIFYKLYLUATC-DAXOMENPSA-N 1 1 343.431 0.946 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001079592511 781295490 /nfs/dbraw/zinc/29/54/90/781295490.db2.gz JNNRDLZEYWQHSI-UEKVPHQBSA-N 1 1 329.404 0.604 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001079592511 781295498 /nfs/dbraw/zinc/29/54/98/781295498.db2.gz JNNRDLZEYWQHSI-UEKVPHQBSA-N 1 1 329.404 0.604 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001077659847 781445806 /nfs/dbraw/zinc/44/58/06/781445806.db2.gz GEXVQWDJWBUSDN-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001077659847 781445811 /nfs/dbraw/zinc/44/58/11/781445811.db2.gz GEXVQWDJWBUSDN-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001041420127 781470679 /nfs/dbraw/zinc/47/06/79/781470679.db2.gz ZOSISDONXTVHRN-SFHVURJKSA-N 1 1 334.464 0.261 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C2)C1 ZINC001041425269 781480413 /nfs/dbraw/zinc/48/04/13/781480413.db2.gz UQFAQAYSQFYTLI-KRWDZBQOSA-N 1 1 325.372 0.835 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675454 781481383 /nfs/dbraw/zinc/48/13/83/781481383.db2.gz NWBVEOCLNBNKSP-JHJVBQTASA-N 1 1 346.269 0.541 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077679162 781492802 /nfs/dbraw/zinc/49/28/02/781492802.db2.gz IOJDHEZXXXYTRF-RAIGVLPGSA-N 1 1 346.269 0.398 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077679411 781494120 /nfs/dbraw/zinc/49/41/20/781494120.db2.gz QSDDDWKSLKPBPX-BMGDILEWSA-N 1 1 342.443 0.561 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001077770558 781671742 /nfs/dbraw/zinc/67/17/42/781671742.db2.gz IHGRDXCBEKVLSE-HUUCEWRRSA-N 1 1 325.372 0.066 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@]3(CCN(C(=O)c4cnco4)C3)C2)C1=O ZINC001041514400 781675825 /nfs/dbraw/zinc/67/58/25/781675825.db2.gz HJFOCGOVWZSZCN-KDOFPFPSSA-N 1 1 344.415 1.000 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C2)C1 ZINC001041528610 781705958 /nfs/dbraw/zinc/70/59/58/781705958.db2.gz VWMBXAVVUXUQSI-LJQANCHMSA-N 1 1 342.443 0.958 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001077846280 781809282 /nfs/dbraw/zinc/80/92/82/781809282.db2.gz JLYMEJFTRBFPIX-GDBMZVCRSA-N 1 1 330.388 0.694 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccnc4c3nnn4C)C2)C1 ZINC001041607686 781841830 /nfs/dbraw/zinc/84/18/30/781841830.db2.gz ZQHHYZOMWRRILE-SFHVURJKSA-N 1 1 338.415 0.925 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)cc1 ZINC001041617758 781863020 /nfs/dbraw/zinc/86/30/20/781863020.db2.gz RVSFUTGCGHWUQM-SFHVURJKSA-N 1 1 342.399 0.499 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001040734349 783348157 /nfs/dbraw/zinc/34/81/57/783348157.db2.gz VGBZXERUGYFFEL-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001040059005 783460632 /nfs/dbraw/zinc/46/06/32/783460632.db2.gz DPDHTTFKEDLBCP-DNVCBOLYSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C(Br)C[NH+]1CCC2(CCN(C(=O)C(N)=O)C2)CC1 ZINC001040828591 783522083 /nfs/dbraw/zinc/52/20/83/783522083.db2.gz NSDXEEGPYZSQLN-UHFFFAOYSA-N 1 1 330.226 0.695 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1n1ccnn1 ZINC001070166541 783581341 /nfs/dbraw/zinc/58/13/41/783581341.db2.gz CIIREEZHLSHJCT-OLZOCXBDSA-N 1 1 348.794 0.787 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 ZINC001070182414 783608500 /nfs/dbraw/zinc/60/85/00/783608500.db2.gz JKSTZQITJKCSHV-CQSZACIVSA-N 1 1 338.452 0.660 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070212686 783667984 /nfs/dbraw/zinc/66/79/84/783667984.db2.gz MPLWXILYLKJXES-OAGGEKHMSA-N 1 1 330.436 0.127 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070212686 783667986 /nfs/dbraw/zinc/66/79/86/783667986.db2.gz MPLWXILYLKJXES-OAGGEKHMSA-N 1 1 330.436 0.127 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070252410 783745016 /nfs/dbraw/zinc/74/50/16/783745016.db2.gz FACVTPPQBSPGSJ-HNNXBMFYSA-N 1 1 347.459 0.666 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001070254520 783749871 /nfs/dbraw/zinc/74/98/71/783749871.db2.gz NELLZXIXMNZWGI-MRXNPFEDSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001070292548 783799531 /nfs/dbraw/zinc/79/95/31/783799531.db2.gz SIRUOSLHRORFGM-YUELXQCFSA-N 1 1 329.408 0.408 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001070301186 783805786 /nfs/dbraw/zinc/80/57/86/783805786.db2.gz PEROQIGLISWBDI-SJORKVTESA-N 1 1 346.479 0.928 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@@H]1n1ccnn1 ZINC001070332573 783840327 /nfs/dbraw/zinc/84/03/27/783840327.db2.gz LIVBLTUHAYQUKG-PMPSAXMXSA-N 1 1 330.436 0.127 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1n1ccnn1 ZINC001070332573 783840332 /nfs/dbraw/zinc/84/03/32/783840332.db2.gz LIVBLTUHAYQUKG-PMPSAXMXSA-N 1 1 330.436 0.127 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnccn2)C1 ZINC001070384617 783926018 /nfs/dbraw/zinc/92/60/18/783926018.db2.gz AHKLUVVQWIOOIK-HNNXBMFYSA-N 1 1 337.383 0.888 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnccn2)C1 ZINC001070384617 783926023 /nfs/dbraw/zinc/92/60/23/783926023.db2.gz AHKLUVVQWIOOIK-HNNXBMFYSA-N 1 1 337.383 0.888 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001070394368 783952002 /nfs/dbraw/zinc/95/20/02/783952002.db2.gz HIZZZDHWCWNBLL-OAHLLOKOSA-N 1 1 339.399 0.786 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001070395026 783955157 /nfs/dbraw/zinc/95/51/57/783955157.db2.gz XZNKHHOAXCJXEU-LBPRGKRZSA-N 1 1 340.387 0.648 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCN2C)C1 ZINC001070399280 783965467 /nfs/dbraw/zinc/96/54/67/783965467.db2.gz IFDXGPOKOBAYQZ-GDBMZVCRSA-N 1 1 329.448 0.933 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCN2C)C1 ZINC001070399280 783965470 /nfs/dbraw/zinc/96/54/70/783965470.db2.gz IFDXGPOKOBAYQZ-GDBMZVCRSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001070403234 783977109 /nfs/dbraw/zinc/97/71/09/783977109.db2.gz OBBOPUNSOVCUIC-KGLIPLIRSA-N 1 1 343.431 0.365 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001070403444 783978842 /nfs/dbraw/zinc/97/88/42/783978842.db2.gz SUCXPPOISUTZFU-DGCLKSJQSA-N 1 1 342.403 0.710 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC001038193698 783979958 /nfs/dbraw/zinc/97/99/58/783979958.db2.gz VLTVZCLYUFNORO-KRWDZBQOSA-N 1 1 326.400 0.727 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001038193698 783979963 /nfs/dbraw/zinc/97/99/63/783979963.db2.gz VLTVZCLYUFNORO-KRWDZBQOSA-N 1 1 326.400 0.727 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001070406236 783985414 /nfs/dbraw/zinc/98/54/14/783985414.db2.gz PIVNFAABXCJSOI-GFCCVEGCSA-N 1 1 343.387 0.444 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2CCC(O)CC2)C1 ZINC001070406157 783986262 /nfs/dbraw/zinc/98/62/62/783986262.db2.gz MXNJFDFRMSGKNR-NPCAHTBFSA-N 1 1 330.432 1.000 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001070411587 784001779 /nfs/dbraw/zinc/00/17/79/784001779.db2.gz SLYONOHNCRJXED-XUWXXGDYSA-N 1 1 328.416 0.875 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001070411593 784002342 /nfs/dbraw/zinc/00/23/42/784002342.db2.gz SNKPRRZUTMVEPD-KBPBESRZSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001070414596 784014600 /nfs/dbraw/zinc/01/46/00/784014600.db2.gz QHQMIDQHMGYUFF-LLVKDONJSA-N 1 1 328.376 0.499 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2[nH]nnc2C)C1 ZINC001070419980 784027743 /nfs/dbraw/zinc/02/77/43/784027743.db2.gz MTGBMRXEJFDTQU-GFCCVEGCSA-N 1 1 327.392 0.579 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001070422880 784034974 /nfs/dbraw/zinc/03/49/74/784034974.db2.gz KUXRJJLHYPKWQL-AAEUAGOBSA-N 1 1 332.408 0.073 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cncc(OC)n2)C1 ZINC001070427683 784044761 /nfs/dbraw/zinc/04/47/61/784044761.db2.gz AWDJJASUWARNTC-LBPRGKRZSA-N 1 1 340.387 0.561 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001070432696 784058281 /nfs/dbraw/zinc/05/82/81/784058281.db2.gz NXLCKBJFEJWLDW-HOCLYGCPSA-N 1 1 343.431 0.459 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001070434183 784061002 /nfs/dbraw/zinc/06/10/02/784061002.db2.gz ORMGWWLPLAPABR-LLVKDONJSA-N 1 1 340.387 0.189 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001070434214 784062009 /nfs/dbraw/zinc/06/20/09/784062009.db2.gz PDNYGGCYIBLPFO-LSDHHAIUSA-N 1 1 345.447 0.870 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)[C@H]1CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070443190 784090718 /nfs/dbraw/zinc/09/07/18/784090718.db2.gz ZWCDCZCACLHCLF-LSDHHAIUSA-N 1 1 345.447 0.954 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001070907626 784094735 /nfs/dbraw/zinc/09/47/35/784094735.db2.gz UKWFHSVTUSYNTN-YUELXQCFSA-N 1 1 346.387 0.970 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001070907626 784094739 /nfs/dbraw/zinc/09/47/39/784094739.db2.gz UKWFHSVTUSYNTN-YUELXQCFSA-N 1 1 346.387 0.970 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001070913595 784105420 /nfs/dbraw/zinc/10/54/20/784105420.db2.gz QVUZNJYTODJGTQ-OAGGEKHMSA-N 1 1 349.406 0.865 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001070913595 784105423 /nfs/dbraw/zinc/10/54/23/784105423.db2.gz QVUZNJYTODJGTQ-OAGGEKHMSA-N 1 1 349.406 0.865 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1nc[nH]n1)C[C@H]2c1nnc(C)[nH]1 ZINC001070450352 784108512 /nfs/dbraw/zinc/10/85/12/784108512.db2.gz BWSJRTCZBKECKY-LBPRGKRZSA-N 1 1 342.407 0.349 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn3c(n2)CCC3)CC1 ZINC001070964343 784247942 /nfs/dbraw/zinc/24/79/42/784247942.db2.gz DVHFBLMWSNXMIM-UHFFFAOYSA-N 1 1 345.447 0.670 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn3c(n2)CCC3)CC1 ZINC001070964343 784247945 /nfs/dbraw/zinc/24/79/45/784247945.db2.gz DVHFBLMWSNXMIM-UHFFFAOYSA-N 1 1 345.447 0.670 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2ccnn2C)CC1 ZINC001070964319 784248561 /nfs/dbraw/zinc/24/85/61/784248561.db2.gz CQMLNCXFGULWLJ-OAHLLOKOSA-N 1 1 345.447 0.197 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2ccnn2C)CC1 ZINC001070964319 784248567 /nfs/dbraw/zinc/24/85/67/784248567.db2.gz CQMLNCXFGULWLJ-OAHLLOKOSA-N 1 1 345.447 0.197 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001070554034 784265342 /nfs/dbraw/zinc/26/53/42/784265342.db2.gz DEOCFRXGYVDPCQ-OAHLLOKOSA-N 1 1 339.436 0.019 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](C(C)C)CC1 ZINC001070970546 784269159 /nfs/dbraw/zinc/26/91/59/784269159.db2.gz LAINBDZNPYWXFP-INIZCTEOSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](C(C)C)CC1 ZINC001070970546 784269169 /nfs/dbraw/zinc/26/91/69/784269169.db2.gz LAINBDZNPYWXFP-INIZCTEOSA-N 1 1 334.464 0.143 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1 ZINC001070979926 784304695 /nfs/dbraw/zinc/30/46/95/784304695.db2.gz FZOVYPLRTGHZPE-UHFFFAOYSA-N 1 1 346.431 0.556 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1 ZINC001070979926 784304705 /nfs/dbraw/zinc/30/47/05/784304705.db2.gz FZOVYPLRTGHZPE-UHFFFAOYSA-N 1 1 346.431 0.556 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cc(C)nn2C)CC1 ZINC001070981012 784309409 /nfs/dbraw/zinc/30/94/09/784309409.db2.gz FRCXSJPWVHSRLP-UHFFFAOYSA-N 1 1 347.463 0.498 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001070999933 784367981 /nfs/dbraw/zinc/36/79/81/784367981.db2.gz GKJKLUZDBGXQSF-INIZCTEOSA-N 1 1 336.480 0.555 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001070999934 784368746 /nfs/dbraw/zinc/36/87/46/784368746.db2.gz GKJKLUZDBGXQSF-MRXNPFEDSA-N 1 1 336.480 0.555 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cncc(OC)n2)CC1 ZINC001071005639 784385671 /nfs/dbraw/zinc/38/56/71/784385671.db2.gz BJEPWGMBZUAVHO-UHFFFAOYSA-N 1 1 347.419 0.325 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cncc(OC)n2)CC1 ZINC001071005639 784385677 /nfs/dbraw/zinc/38/56/77/784385677.db2.gz BJEPWGMBZUAVHO-UHFFFAOYSA-N 1 1 347.419 0.325 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCCN2C)n1 ZINC001070601766 784419097 /nfs/dbraw/zinc/41/90/97/784419097.db2.gz UOUPCKUWXLFOOD-XHSDSOJGSA-N 1 1 345.447 0.638 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C[C@H]2CCOC2)n1 ZINC001070602354 784420556 /nfs/dbraw/zinc/42/05/56/784420556.db2.gz PMSPSRKFAXDBLU-OWCLPIDISA-N 1 1 346.431 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C[C@@H]2CCOC2)n1 ZINC001070602352 784420630 /nfs/dbraw/zinc/42/06/30/784420630.db2.gz PMSPSRKFAXDBLU-HRCADAONSA-N 1 1 346.431 0.971 20 30 ECEDMO C#CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001070606237 784428147 /nfs/dbraw/zinc/42/81/47/784428147.db2.gz TZVIEGTZFGZIBL-OWCLPIDISA-N 1 1 345.447 0.496 20 30 ECEDMO C#CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001070606237 784428156 /nfs/dbraw/zinc/42/81/56/784428156.db2.gz TZVIEGTZFGZIBL-OWCLPIDISA-N 1 1 345.447 0.496 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccn(C)n2)CC1 ZINC001071020857 784441329 /nfs/dbraw/zinc/44/13/29/784441329.db2.gz YMFUADMUFUVROQ-UHFFFAOYSA-N 1 1 333.436 0.650 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cncnc2CC)CC1 ZINC001071022029 784444280 /nfs/dbraw/zinc/44/42/80/784444280.db2.gz QZHJCSPAEVZXMA-UHFFFAOYSA-N 1 1 345.447 0.879 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cncnc2CC)CC1 ZINC001071022029 784444284 /nfs/dbraw/zinc/44/42/84/784444284.db2.gz QZHJCSPAEVZXMA-UHFFFAOYSA-N 1 1 345.447 0.879 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccon2)C1 ZINC001070630645 784462265 /nfs/dbraw/zinc/46/22/65/784462265.db2.gz ZNOCJAHHLOTMNK-MRVWCRGKSA-N 1 1 328.376 0.652 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 ZINC001071133699 784576547 /nfs/dbraw/zinc/57/65/47/784576547.db2.gz FQLZLLISFSVDJR-GDBMZVCRSA-N 1 1 334.424 0.331 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001070712423 784583012 /nfs/dbraw/zinc/58/30/12/784583012.db2.gz VPIYKQCFMPVCHF-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001070712423 784583014 /nfs/dbraw/zinc/58/30/14/784583014.db2.gz VPIYKQCFMPVCHF-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 ZINC001071144567 784596447 /nfs/dbraw/zinc/59/64/47/784596447.db2.gz PXQZMYQGOCMLCL-HOCLYGCPSA-N 1 1 344.477 0.689 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071154832 784617582 /nfs/dbraw/zinc/61/75/82/784617582.db2.gz PZEBQVRPZVAOJC-CXAGYDPISA-N 1 1 332.404 0.574 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@H](C)O2 ZINC001071159481 784625913 /nfs/dbraw/zinc/62/59/13/784625913.db2.gz MOBMSRSJUICVPT-KBXCAEBGSA-N 1 1 333.432 0.180 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@H](C)O2 ZINC001071159711 784627321 /nfs/dbraw/zinc/62/73/21/784627321.db2.gz PXGURVFSJPFFFM-GUYCJALGSA-N 1 1 335.404 0.860 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@@H](C)O2 ZINC001071160971 784631985 /nfs/dbraw/zinc/63/19/85/784631985.db2.gz BPZGKDUVSXLTTB-DYVFJYSZSA-N 1 1 331.420 0.331 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@H](C)O2 ZINC001071166558 784641758 /nfs/dbraw/zinc/64/17/58/784641758.db2.gz JYYBBGQQUMFAJV-SUMWQHHRSA-N 1 1 331.420 0.371 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nnn1CC)C[C@H](C)O2 ZINC001071175146 784662773 /nfs/dbraw/zinc/66/27/73/784662773.db2.gz BMBOEWOJCUPHDR-SUMWQHHRSA-N 1 1 331.420 0.545 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001071175533 784663277 /nfs/dbraw/zinc/66/32/77/784663277.db2.gz FZHIUXIGLVKMAH-YJBOKZPZSA-N 1 1 333.432 0.972 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@H](C)O2 ZINC001071175510 784663452 /nfs/dbraw/zinc/66/34/52/784663452.db2.gz FVCNHOQZZHKXCX-KBXCAEBGSA-N 1 1 344.415 0.604 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3n1CCOC3)C[C@@H](C)O2 ZINC001071175963 784665094 /nfs/dbraw/zinc/66/50/94/784665094.db2.gz OFKYWEUUDPVFGF-KDOFPFPSSA-N 1 1 344.415 0.352 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc(C3CC3)nn1)C[C@H](C)O2 ZINC001071176590 784666144 /nfs/dbraw/zinc/66/61/44/784666144.db2.gz XYRUANMSPVBESQ-KBXCAEBGSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)C[C@@H](C)O2 ZINC001071176583 784666292 /nfs/dbraw/zinc/66/62/92/784666292.db2.gz XUZNKYPVPFAGIK-KDOFPFPSSA-N 1 1 345.447 0.972 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)C[C@@H](C)O2 ZINC001071176583 784666297 /nfs/dbraw/zinc/66/62/97/784666297.db2.gz XUZNKYPVPFAGIK-KDOFPFPSSA-N 1 1 345.447 0.972 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3n[nH]cc3c1)C[C@H](C)O2 ZINC001071178776 784674243 /nfs/dbraw/zinc/67/42/43/784674243.db2.gz WBEWMKJXIGUJPB-SCLBCKFNSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc[nH]c1=O)C[C@H](C)O2 ZINC001071180143 784677420 /nfs/dbraw/zinc/67/74/20/784677420.db2.gz HFKUHCNKALCOOL-SUMWQHHRSA-N 1 1 330.388 0.511 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cc(C)nn1C)C[C@H](C)O2 ZINC001071189546 784695182 /nfs/dbraw/zinc/69/51/82/784695182.db2.gz MGEZFPSJZPUIPN-YJBOKZPZSA-N 1 1 330.432 0.596 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@H](C)O2 ZINC001071201220 784723592 /nfs/dbraw/zinc/72/35/92/784723592.db2.gz AKJVSWWWOSFPID-SJCJKPOMSA-N 1 1 330.388 0.429 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(CC)c1CC)C[C@@H](C)O2 ZINC001071211504 784745991 /nfs/dbraw/zinc/74/59/91/784745991.db2.gz JELHZBBVKNCZJJ-KDOFPFPSSA-N 1 1 345.447 0.799 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(CC)c1CC)C[C@@H](C)O2 ZINC001071211504 784745994 /nfs/dbraw/zinc/74/59/94/784745994.db2.gz JELHZBBVKNCZJJ-KDOFPFPSSA-N 1 1 345.447 0.799 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@@H](C)O2 ZINC001071218350 784761844 /nfs/dbraw/zinc/76/18/44/784761844.db2.gz MKKDOARBXVFHOX-IEBWSBKVSA-N 1 1 349.475 0.424 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cnnn1)C[C@@H](C)O2 ZINC001071223990 784778386 /nfs/dbraw/zinc/77/83/86/784778386.db2.gz XSGJPDHBHMDQGE-GDBMZVCRSA-N 1 1 334.424 0.331 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cnnn1)C[C@H](C)O2 ZINC001071223991 784778718 /nfs/dbraw/zinc/77/87/18/784778718.db2.gz XSGJPDHBHMDQGE-GOEBONIOSA-N 1 1 334.424 0.331 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@@H](C)O2 ZINC001071226248 784783890 /nfs/dbraw/zinc/78/38/90/784783890.db2.gz WZFDXFVHHYEEQJ-FZKQIMNGSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@@H](C)O2 ZINC001071236072 784802382 /nfs/dbraw/zinc/80/23/82/784802382.db2.gz ONOCGDHUZXTKFW-RDTXWAMCSA-N 1 1 341.415 0.991 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@@H](C)O2 ZINC001071237763 784806361 /nfs/dbraw/zinc/80/63/61/784806361.db2.gz CIQWGNADMFWPEM-RDTXWAMCSA-N 1 1 346.431 0.662 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@@H](C)O2 ZINC001071238077 784807406 /nfs/dbraw/zinc/80/74/06/784807406.db2.gz IOZYNUSTTJQPLY-DYVFJYSZSA-N 1 1 332.404 0.272 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3n[nH]nc3c1)C[C@H](C)O2 ZINC001071240760 784813812 /nfs/dbraw/zinc/81/38/12/784813812.db2.gz KLXBRYCEONMGFQ-UGSOOPFHSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)C[C@H](C)O2 ZINC001071246584 784828359 /nfs/dbraw/zinc/82/83/59/784828359.db2.gz XTQZMVOCGWDALP-SCLBCKFNSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)C[C@H](C)O2 ZINC001071246584 784828366 /nfs/dbraw/zinc/82/83/66/784828366.db2.gz XTQZMVOCGWDALP-SCLBCKFNSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258970 784865981 /nfs/dbraw/zinc/86/59/81/784865981.db2.gz VKRAYVAICZRYEQ-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001071322270 784950203 /nfs/dbraw/zinc/95/02/03/784950203.db2.gz ADBPFLXDDSPSKQ-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001071803556 785127597 /nfs/dbraw/zinc/12/75/97/785127597.db2.gz OEXJCMQHRCODDS-KGLIPLIRSA-N 1 1 348.447 0.864 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001071812390 785142030 /nfs/dbraw/zinc/14/20/30/785142030.db2.gz RSASWEJRXRKXKR-ZIAGYGMSSA-N 1 1 325.453 0.882 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001071508612 785215458 /nfs/dbraw/zinc/21/54/58/785215458.db2.gz QUDFCCXQVBITLW-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001071514785 785231946 /nfs/dbraw/zinc/23/19/46/785231946.db2.gz PBEUTYZIWUGWMI-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001068763878 791095956 /nfs/dbraw/zinc/09/59/56/791095956.db2.gz DSGCPSBJMOJPME-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)CC[C@H]1C ZINC001071541529 785274123 /nfs/dbraw/zinc/27/41/23/785274123.db2.gz ALSXIJPHKKKIFR-HIFRSBDPSA-N 1 1 329.400 0.767 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@@H]1C ZINC001071889764 785275829 /nfs/dbraw/zinc/27/58/29/785275829.db2.gz CAXWRPXYLOJWPH-LSDHHAIUSA-N 1 1 348.451 0.724 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc3ccc(OC)nn32)CC[C@H]1C ZINC001071618783 785404782 /nfs/dbraw/zinc/40/47/82/785404782.db2.gz DRVSAOVJPBYVPF-CHWSQXEVSA-N 1 1 327.388 0.954 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cnc3ccc(OC)nn32)CC[C@H]1C ZINC001071618783 785404789 /nfs/dbraw/zinc/40/47/89/785404789.db2.gz DRVSAOVJPBYVPF-CHWSQXEVSA-N 1 1 327.388 0.954 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1C ZINC001071966488 785432638 /nfs/dbraw/zinc/43/26/38/785432638.db2.gz FLTZBYFWASFWRS-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1C ZINC001071967072 785434186 /nfs/dbraw/zinc/43/41/86/785434186.db2.gz JRFQJZPTBYRQSA-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@H]1C ZINC001071701211 785554453 /nfs/dbraw/zinc/55/44/53/785554453.db2.gz FGOYPRIHHDTZPN-CHWSQXEVSA-N 1 1 327.392 0.826 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1C ZINC001072048076 785571789 /nfs/dbraw/zinc/57/17/89/785571789.db2.gz IBJCLEKXTOKQKW-OLZOCXBDSA-N 1 1 334.420 0.309 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1C ZINC001072050286 785573790 /nfs/dbraw/zinc/57/37/90/785573790.db2.gz USRARVDSQNVTQR-STQMWFEESA-N 1 1 336.436 0.862 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001072053379 785581987 /nfs/dbraw/zinc/58/19/87/785581987.db2.gz WGJQHHPYWYAHKR-CZUORRHYSA-N 1 1 346.431 0.972 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@@H]1C ZINC001071724336 785592483 /nfs/dbraw/zinc/59/24/83/785592483.db2.gz FVIZABKAXQJKBG-JQWIXIFHSA-N 1 1 330.396 0.463 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)CC[C@@H]1C ZINC001071735192 785610039 /nfs/dbraw/zinc/61/00/39/785610039.db2.gz HQGBHAJPSMLPHW-GJZGRUSLSA-N 1 1 330.436 0.935 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)CC[C@@H]1C ZINC001071735192 785610046 /nfs/dbraw/zinc/61/00/46/785610046.db2.gz HQGBHAJPSMLPHW-GJZGRUSLSA-N 1 1 330.436 0.935 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001072097599 785664409 /nfs/dbraw/zinc/66/44/09/785664409.db2.gz OSHADNBIXBVZGL-CABCVRRESA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001072097601 785664541 /nfs/dbraw/zinc/66/45/41/785664541.db2.gz OSHADNBIXBVZGL-HUUCEWRRSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001072336785 786042146 /nfs/dbraw/zinc/04/21/46/786042146.db2.gz NRDOOBDNVOSJSG-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001072338460 786043994 /nfs/dbraw/zinc/04/39/94/786043994.db2.gz DNYWBARQKCHUBV-HIFRSBDPSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001072354954 786068167 /nfs/dbraw/zinc/06/81/67/786068167.db2.gz PPWJOFVVYUGCGC-KGLIPLIRSA-N 1 1 325.453 0.882 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001072479219 786247483 /nfs/dbraw/zinc/24/74/83/786247483.db2.gz ULKPPARETVURFQ-SWLSCSKDSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)C[C@H]4CCOC4)C3)C2)C1=O ZINC001072572432 786381956 /nfs/dbraw/zinc/38/19/56/786381956.db2.gz LCYKCZUKYKUDME-CVEARBPZSA-N 1 1 347.459 0.734 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3nnc(C)[nH]3)C[C@@H]21 ZINC001074239024 786483851 /nfs/dbraw/zinc/48/38/51/786483851.db2.gz VETWNGLNFJJJFK-GJZGRUSLSA-N 1 1 333.436 0.924 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3nnc(C)[nH]3)C[C@@H]21 ZINC001074239024 786483857 /nfs/dbraw/zinc/48/38/57/786483857.db2.gz VETWNGLNFJJJFK-GJZGRUSLSA-N 1 1 333.436 0.924 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)c3ccoc3)C2)C1=O ZINC001073535188 786501652 /nfs/dbraw/zinc/50/16/52/786501652.db2.gz GGLWGTYGJVZBGP-CVEARBPZSA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)c3ccoc3)C2)C1=O ZINC001073535188 786501653 /nfs/dbraw/zinc/50/16/53/786501653.db2.gz GGLWGTYGJVZBGP-CVEARBPZSA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001073544877 786535965 /nfs/dbraw/zinc/53/59/65/786535965.db2.gz ILZZEGXASQZYFV-CABCVRRESA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001073544877 786535967 /nfs/dbraw/zinc/53/59/67/786535967.db2.gz ILZZEGXASQZYFV-CABCVRRESA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@H]21 ZINC001074294794 786616753 /nfs/dbraw/zinc/61/67/53/786616753.db2.gz SUNMOTIUQGRMQD-HUUCEWRRSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@H]21 ZINC001074294794 786616773 /nfs/dbraw/zinc/61/67/73/786616773.db2.gz SUNMOTIUQGRMQD-HUUCEWRRSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001073603767 786755723 /nfs/dbraw/zinc/75/57/23/786755723.db2.gz ODTVVLFEVLNEBD-HZPDHXFCSA-N 1 1 346.431 0.607 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001073603767 786755726 /nfs/dbraw/zinc/75/57/26/786755726.db2.gz ODTVVLFEVLNEBD-HZPDHXFCSA-N 1 1 346.431 0.607 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnn2CC(F)F)C1 ZINC001073604142 786756933 /nfs/dbraw/zinc/75/69/33/786756933.db2.gz YFNHZNKNBQPCHU-LBPRGKRZSA-N 1 1 326.347 0.602 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnn2CC(F)F)C1 ZINC001073604142 786756940 /nfs/dbraw/zinc/75/69/40/786756940.db2.gz YFNHZNKNBQPCHU-LBPRGKRZSA-N 1 1 326.347 0.602 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC001073605240 786758396 /nfs/dbraw/zinc/75/83/96/786758396.db2.gz FZRQCEHIWFPLQS-OAHLLOKOSA-N 1 1 331.420 0.847 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074369470 786778595 /nfs/dbraw/zinc/77/85/95/786778595.db2.gz WXEVRALFONFDGB-CVEARBPZSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074369470 786778604 /nfs/dbraw/zinc/77/86/04/786778604.db2.gz WXEVRALFONFDGB-CVEARBPZSA-N 1 1 346.431 0.995 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625973 786799349 /nfs/dbraw/zinc/79/93/49/786799349.db2.gz KDMMQGCMOMTSDB-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001073629982 786812310 /nfs/dbraw/zinc/81/23/10/786812310.db2.gz KFNFUNCFCBIVTE-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOC)[C@H]3C2)cn1 ZINC001074384524 786819046 /nfs/dbraw/zinc/81/90/46/786819046.db2.gz IEGBBOKTNBRNGS-IRXDYDNUSA-N 1 1 329.400 0.625 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CCOC)[C@H]3C2)cn1 ZINC001074384524 786819057 /nfs/dbraw/zinc/81/90/57/786819057.db2.gz IEGBBOKTNBRNGS-IRXDYDNUSA-N 1 1 329.400 0.625 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001073631023 786819586 /nfs/dbraw/zinc/81/95/86/786819586.db2.gz MIKUUYLWVWGNKI-AWEZNQCLSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001073636932 786835571 /nfs/dbraw/zinc/83/55/71/786835571.db2.gz KWBDHQNJGUPFGP-YOEHRIQHSA-N 1 1 343.427 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccon2)CCCO1 ZINC001073639096 786841912 /nfs/dbraw/zinc/84/19/12/786841912.db2.gz AWSGLDIARWMJHC-SJORKVTESA-N 1 1 346.431 0.479 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccon2)CCCO1 ZINC001073639096 786841918 /nfs/dbraw/zinc/84/19/18/786841918.db2.gz AWSGLDIARWMJHC-SJORKVTESA-N 1 1 346.431 0.479 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001073639880 786846232 /nfs/dbraw/zinc/84/62/32/786846232.db2.gz MTPHIXIDZAKEAM-ZDUSSCGKSA-N 1 1 333.388 0.860 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 ZINC001074408238 786888824 /nfs/dbraw/zinc/88/88/24/786888824.db2.gz SIBYGNUSMPKRCL-HZPDHXFCSA-N 1 1 331.416 0.726 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 ZINC001074408238 786888836 /nfs/dbraw/zinc/88/88/36/786888836.db2.gz SIBYGNUSMPKRCL-HZPDHXFCSA-N 1 1 331.416 0.726 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001073660744 786903174 /nfs/dbraw/zinc/90/31/74/786903174.db2.gz NJBDTABNTMZCPZ-HZPDHXFCSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001073660744 786903181 /nfs/dbraw/zinc/90/31/81/786903181.db2.gz NJBDTABNTMZCPZ-HZPDHXFCSA-N 1 1 330.432 0.594 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001073667470 786916934 /nfs/dbraw/zinc/91/69/34/786916934.db2.gz HAEUZFRSLFMKQT-HZPDHXFCSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001073670375 786924728 /nfs/dbraw/zinc/92/47/28/786924728.db2.gz HHQGGRDBPXJREI-HOTGVXAUSA-N 1 1 330.432 0.676 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001073670858 786926924 /nfs/dbraw/zinc/92/69/24/786926924.db2.gz QCPIYYSOQGSNMQ-WBVHZDCISA-N 1 1 330.432 0.676 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001073690087 786975008 /nfs/dbraw/zinc/97/50/08/786975008.db2.gz LVITYTFUQUKNKL-LBPRGKRZSA-N 1 1 330.392 0.750 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001073713329 787030764 /nfs/dbraw/zinc/03/07/64/787030764.db2.gz YSOLDHQAAGCPPX-QZTJIDSGSA-N 1 1 349.475 0.328 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001073713329 787030773 /nfs/dbraw/zinc/03/07/73/787030773.db2.gz YSOLDHQAAGCPPX-QZTJIDSGSA-N 1 1 349.475 0.328 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001073716338 787039718 /nfs/dbraw/zinc/03/97/18/787039718.db2.gz AIFDGGREGNWWTI-HNNXBMFYSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001073716338 787039728 /nfs/dbraw/zinc/03/97/28/787039728.db2.gz AIFDGGREGNWWTI-HNNXBMFYSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001073726052 787066527 /nfs/dbraw/zinc/06/65/27/787066527.db2.gz CAJFDTOXCCYFJH-HNNXBMFYSA-N 1 1 341.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001073726052 787066537 /nfs/dbraw/zinc/06/65/37/787066537.db2.gz CAJFDTOXCCYFJH-HNNXBMFYSA-N 1 1 341.415 0.800 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001073748270 787120803 /nfs/dbraw/zinc/12/08/03/787120803.db2.gz VWRMFAWKFZSSLK-GXTWGEPZSA-N 1 1 349.460 0.802 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001074510521 787127590 /nfs/dbraw/zinc/12/75/90/787127590.db2.gz HHLLMHQGLOWLQI-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001074511843 787131918 /nfs/dbraw/zinc/13/19/18/787131918.db2.gz ZAKNEVQDIXFKKN-HUUCEWRRSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCN1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816162 787251284 /nfs/dbraw/zinc/25/12/84/787251284.db2.gz WGNBXVGTMQPGGJ-MRXNPFEDSA-N 1 1 335.452 0.451 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001073820768 787265391 /nfs/dbraw/zinc/26/53/91/787265391.db2.gz WOENMPHHXZYYHK-HIFRSBDPSA-N 1 1 334.420 0.747 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001073821232 787266590 /nfs/dbraw/zinc/26/65/90/787266590.db2.gz DCEFCKLERGDTHR-MRXNPFEDSA-N 1 1 347.415 0.760 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001073821232 787266594 /nfs/dbraw/zinc/26/65/94/787266594.db2.gz DCEFCKLERGDTHR-MRXNPFEDSA-N 1 1 347.415 0.760 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001073821362 787267988 /nfs/dbraw/zinc/26/79/88/787267988.db2.gz HUVKGMCCBCYIHN-CQSZACIVSA-N 1 1 332.404 0.107 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001073824349 787276341 /nfs/dbraw/zinc/27/63/41/787276341.db2.gz QYWZWOQJRXERJF-INIZCTEOSA-N 1 1 344.415 0.884 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3cnon3)C2)c1 ZINC001073827987 787291454 /nfs/dbraw/zinc/29/14/54/787291454.db2.gz CEIJHFRVIYWDJH-HNNXBMFYSA-N 1 1 341.371 0.962 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3cnon3)C2)c1 ZINC001073827987 787291459 /nfs/dbraw/zinc/29/14/59/787291459.db2.gz CEIJHFRVIYWDJH-HNNXBMFYSA-N 1 1 341.371 0.962 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001073854165 787369144 /nfs/dbraw/zinc/36/91/44/787369144.db2.gz YEZGPMWBSNJRMV-HUUCEWRRSA-N 1 1 336.436 0.150 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001073857069 787375841 /nfs/dbraw/zinc/37/58/41/787375841.db2.gz YIFKJXJPFXAGTO-ZDUSSCGKSA-N 1 1 343.387 0.279 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001073862480 787391236 /nfs/dbraw/zinc/39/12/36/787391236.db2.gz SISZLVXORMZKCN-AWEZNQCLSA-N 1 1 335.379 0.884 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001073862480 787391247 /nfs/dbraw/zinc/39/12/47/787391247.db2.gz SISZLVXORMZKCN-AWEZNQCLSA-N 1 1 335.379 0.884 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001073872598 787412241 /nfs/dbraw/zinc/41/22/41/787412241.db2.gz UQRPYALKJNRYNR-HZPDHXFCSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001073889558 787444805 /nfs/dbraw/zinc/44/48/05/787444805.db2.gz UHYFWJSCFJFFSP-AWEZNQCLSA-N 1 1 329.400 0.730 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001073889558 787444807 /nfs/dbraw/zinc/44/48/07/787444807.db2.gz UHYFWJSCFJFFSP-AWEZNQCLSA-N 1 1 329.400 0.730 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001073890986 787450502 /nfs/dbraw/zinc/45/05/02/787450502.db2.gz KNTYDOLCHJYLOJ-HZPDHXFCSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001073905640 787489570 /nfs/dbraw/zinc/48/95/70/787489570.db2.gz LGIWJIPVVHEAKA-AWEZNQCLSA-N 1 1 330.388 0.025 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2c(OC)ncnc2OC)C1 ZINC001073908378 787497051 /nfs/dbraw/zinc/49/70/51/787497051.db2.gz JSSHVTAJNLKBMM-GFCCVEGCSA-N 1 1 336.392 0.501 20 30 ECEDMO C[N@@H+](C[C@H]1CCCCN1C(=O)C#CC1CC1)[C@@H]1CCC(=O)NC1=O ZINC001074012864 787676067 /nfs/dbraw/zinc/67/60/67/787676067.db2.gz RADGCTPPRHXCKZ-HUUCEWRRSA-N 1 1 331.416 0.518 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001074016767 787685646 /nfs/dbraw/zinc/68/56/46/787685646.db2.gz JKDBNJPAFREXAZ-CVEARBPZSA-N 1 1 337.464 0.720 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074731343 787722294 /nfs/dbraw/zinc/72/22/94/787722294.db2.gz OBVJLDFZBOIPJI-OAHLLOKOSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001074062201 787793338 /nfs/dbraw/zinc/79/33/38/787793338.db2.gz CDMCWXZUOORXSP-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)C[C@@H]1C ZINC001074064439 787799132 /nfs/dbraw/zinc/79/91/32/787799132.db2.gz YNDNDSBPUIJQAX-GXTWGEPZSA-N 1 1 349.460 0.802 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001074091549 787862316 /nfs/dbraw/zinc/86/23/16/787862316.db2.gz YPOQGHUPSRUXRD-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001072756364 788728617 /nfs/dbraw/zinc/72/86/17/788728617.db2.gz PJOXAOIARRVUGQ-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cnc4ccc(OC)nn43)C2)C1 ZINC001072867354 788993161 /nfs/dbraw/zinc/99/31/61/788993161.db2.gz APOLCRAVWONNJA-UHFFFAOYSA-N 1 1 339.399 0.909 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001072867949 788994247 /nfs/dbraw/zinc/99/42/47/788994247.db2.gz VEGRFXXFRHQEBU-ZDUSSCGKSA-N 1 1 329.404 0.104 20 30 ECEDMO CC#CC[N@@H+]1CCC2(CN(C(=O)c3cnc4ccc(OC)nn43)C2)C1 ZINC001072867942 788994825 /nfs/dbraw/zinc/99/48/25/788994825.db2.gz VBKYZKOKRMMWCK-UHFFFAOYSA-N 1 1 339.399 0.909 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCN(C)C2=O)C3)c1 ZINC001072968312 789180108 /nfs/dbraw/zinc/18/01/08/789180108.db2.gz FNKANKSVYOPGDP-MRXNPFEDSA-N 1 1 338.411 0.442 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)c1 ZINC001072986819 789228445 /nfs/dbraw/zinc/22/84/45/789228445.db2.gz AMMFWCCYRMLYAG-CVEARBPZSA-N 1 1 338.411 0.714 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCN(CC)C1=O)C2 ZINC001072999766 789255512 /nfs/dbraw/zinc/25/55/12/789255512.db2.gz OYWMBZLWNSNBKG-OAGGEKHMSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001073025361 789295026 /nfs/dbraw/zinc/29/50/26/789295026.db2.gz LFPRVSTWMXBSPU-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001073029425 789306022 /nfs/dbraw/zinc/30/60/22/789306022.db2.gz WWYXDFOYPNHNGO-HNNXBMFYSA-N 1 1 346.431 0.727 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CC[N@@H+](C[C@H]2CCOC2)C3)nn1 ZINC001073043323 789334776 /nfs/dbraw/zinc/33/47/76/789334776.db2.gz SSYLRAAOBHHBKF-CQSZACIVSA-N 1 1 331.420 0.649 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)N(C)C)C3)nn1 ZINC001073049047 789345657 /nfs/dbraw/zinc/34/56/57/789345657.db2.gz TTWCYWWAYXCSFC-UHFFFAOYSA-N 1 1 346.435 0.090 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N(C)C)C3)nn1 ZINC001073049047 789345665 /nfs/dbraw/zinc/34/56/65/789345665.db2.gz TTWCYWWAYXCSFC-UHFFFAOYSA-N 1 1 346.435 0.090 20 30 ECEDMO C=CC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073107682 789452565 /nfs/dbraw/zinc/45/25/65/789452565.db2.gz ZUEDRNPWXYFAFF-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073107682 789452570 /nfs/dbraw/zinc/45/25/70/789452570.db2.gz ZUEDRNPWXYFAFF-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CCC2(CN(C(=O)c3cn(C4CCOCC4)nn3)C2)C1 ZINC001073108572 789453577 /nfs/dbraw/zinc/45/35/77/789453577.db2.gz DDAZLTDMJDJXGU-UHFFFAOYSA-N 1 1 331.420 0.964 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CCOC)CC1 ZINC001073122218 789477483 /nfs/dbraw/zinc/47/74/83/789477483.db2.gz YWQUJFPTQSCSQH-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CCOC)CC1 ZINC001073122218 789477489 /nfs/dbraw/zinc/47/74/89/789477489.db2.gz YWQUJFPTQSCSQH-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(=O)NC)C2 ZINC001073152631 789535724 /nfs/dbraw/zinc/53/57/24/789535724.db2.gz KMBJLOVNWDEVOL-OAHLLOKOSA-N 1 1 339.439 0.879 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CSCC#N ZINC001075677063 789639962 /nfs/dbraw/zinc/63/99/62/789639962.db2.gz NSJHUMVEEUZMRT-ZDUSSCGKSA-N 1 1 328.482 0.986 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CCOC)C(C)(C)C1 ZINC001073282730 789699724 /nfs/dbraw/zinc/69/97/24/789699724.db2.gz AQBNXSAZSJSQIP-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CCOC)C(C)(C)C1 ZINC001073282730 789699733 /nfs/dbraw/zinc/69/97/33/789699733.db2.gz AQBNXSAZSJSQIP-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2N(c2ccnc(C#N)n2)CC3)C1 ZINC001069266309 789717835 /nfs/dbraw/zinc/71/78/35/789717835.db2.gz KCVCJVPYTRJTCE-IYOUNJFTSA-N 1 1 340.431 0.918 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)C1 ZINC001073425452 789820720 /nfs/dbraw/zinc/82/07/20/789820720.db2.gz VRGJTALNWJTAMV-UHFFFAOYSA-N 1 1 328.416 0.899 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3cncc(C#N)n3)C(C)(C)C2)C1 ZINC001069545318 789890286 /nfs/dbraw/zinc/89/02/86/789890286.db2.gz ILPKREGPAOMOIU-ZIAGYGMSSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3cncc(C#N)n3)C(C)(C)C2)C1 ZINC001069545318 789890290 /nfs/dbraw/zinc/89/02/90/789890290.db2.gz ILPKREGPAOMOIU-ZIAGYGMSSA-N 1 1 344.419 0.328 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC(Nc2cnc(C#N)cn2)C1 ZINC001069719962 789987411 /nfs/dbraw/zinc/98/74/11/789987411.db2.gz YWCBRZMSLYYMMN-UXUKBGGZSA-N 1 1 330.392 0.080 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC(Nc2cnc(C#N)cn2)C1 ZINC001069719962 789987413 /nfs/dbraw/zinc/98/74/13/789987413.db2.gz YWCBRZMSLYYMMN-UXUKBGGZSA-N 1 1 330.392 0.080 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2=CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001069815392 790049392 /nfs/dbraw/zinc/04/93/92/790049392.db2.gz IFQGIDIXWRSCNN-KRWDZBQOSA-N 1 1 341.415 0.537 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2=CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001069815392 790049398 /nfs/dbraw/zinc/04/93/98/790049398.db2.gz IFQGIDIXWRSCNN-KRWDZBQOSA-N 1 1 341.415 0.537 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCc2cccc(N3CC[C@@H](NCC#N)C3)n2)C1 ZINC001069840597 790074429 /nfs/dbraw/zinc/07/44/29/790074429.db2.gz HQZDLGMBYWRBFX-GOEBONIOSA-N 1 1 342.447 0.341 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3COCCO3)c2C1 ZINC001069854187 790101306 /nfs/dbraw/zinc/10/13/06/790101306.db2.gz XPPDXBPXPRPWIE-MRXNPFEDSA-N 1 1 334.420 0.697 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3COCCO3)c2C1 ZINC001069854187 790101309 /nfs/dbraw/zinc/10/13/09/790101309.db2.gz XPPDXBPXPRPWIE-MRXNPFEDSA-N 1 1 334.420 0.697 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)N3C)c2C1 ZINC001069870204 790130950 /nfs/dbraw/zinc/13/09/50/790130950.db2.gz YRNJAEFZFJPPQR-HNNXBMFYSA-N 1 1 345.447 0.902 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)N3C)c2C1 ZINC001069870204 790130953 /nfs/dbraw/zinc/13/09/53/790130953.db2.gz YRNJAEFZFJPPQR-HNNXBMFYSA-N 1 1 345.447 0.902 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)c2C1 ZINC001069881350 790146207 /nfs/dbraw/zinc/14/62/07/790146207.db2.gz AFIHZYAPHLPANG-IBGZPJMESA-N 1 1 341.459 0.824 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](n2ccnn2)C1 ZINC001069892349 790160817 /nfs/dbraw/zinc/16/08/17/790160817.db2.gz TWCMLOQDIPZULF-CABCVRRESA-N 1 1 328.376 0.143 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](n2ccnn2)C1 ZINC001069892349 790160822 /nfs/dbraw/zinc/16/08/22/790160822.db2.gz TWCMLOQDIPZULF-CABCVRRESA-N 1 1 328.376 0.143 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@@H](n2ccnn2)C1 ZINC001069898311 790166297 /nfs/dbraw/zinc/16/62/97/790166297.db2.gz HMLMMMKVYKGOAC-ILXRZTDVSA-N 1 1 335.408 0.001 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001069901655 790171148 /nfs/dbraw/zinc/17/11/48/790171148.db2.gz NGTXJUFTRUAYQF-CABCVRRESA-N 1 1 329.408 0.172 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)C2CCC2)CCOCC1 ZINC001069936273 790210516 /nfs/dbraw/zinc/21/05/16/790210516.db2.gz ZIFCUDQLEMEKIF-INIZCTEOSA-N 1 1 347.459 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)C2CCC2)CCOCC1 ZINC001069936273 790210523 /nfs/dbraw/zinc/21/05/23/790210523.db2.gz ZIFCUDQLEMEKIF-INIZCTEOSA-N 1 1 347.459 0.666 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001069945346 790223247 /nfs/dbraw/zinc/22/32/47/790223247.db2.gz JUSOKCYYDQDEBP-XHSDSOJGSA-N 1 1 345.451 0.406 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069955639 790238101 /nfs/dbraw/zinc/23/81/01/790238101.db2.gz FVJFKFHZCUVIRD-KEYYUXOJSA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069955639 790238107 /nfs/dbraw/zinc/23/81/07/790238107.db2.gz FVJFKFHZCUVIRD-KEYYUXOJSA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001069965750 790251981 /nfs/dbraw/zinc/25/19/81/790251981.db2.gz DDONXBHKHZRDOY-ZNMIVQPWSA-N 1 1 346.435 0.112 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@H](NC(=O)C#CC2CC2)CO3)CC[N@H+]1C ZINC001068862852 791293292 /nfs/dbraw/zinc/29/32/92/791293292.db2.gz JPPPFLHPNTZIJK-VNQPRFMTSA-N 1 1 345.443 0.226 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2COC3(CN(C(=O)C#CC(C)(C)C)C3)C2)C1 ZINC001068874365 791321348 /nfs/dbraw/zinc/32/13/48/791321348.db2.gz OFZSEZKHLCHOIC-LSDHHAIUSA-N 1 1 347.459 0.474 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001068874723 791322324 /nfs/dbraw/zinc/32/23/24/791322324.db2.gz WJNFVGWWHBILQE-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001068912666 791405273 /nfs/dbraw/zinc/40/52/73/791405273.db2.gz LOHUIDOJFNPBQE-STQMWFEESA-N 1 1 336.436 0.362 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001068917409 791415774 /nfs/dbraw/zinc/41/57/74/791415774.db2.gz WSQWCAZJMJCZGM-JKSUJKDBSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001069004729 791578201 /nfs/dbraw/zinc/57/82/01/791578201.db2.gz YYCGBNCNDRSKPM-QWHCGFSZSA-N 1 1 334.420 0.116 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3ncccc3C#N)C2)C1 ZINC001066675130 791966318 /nfs/dbraw/zinc/96/63/18/791966318.db2.gz BNDFSXCCKWFFNQ-HOCLYGCPSA-N 1 1 343.431 0.934 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3ccncc3C#N)C2)C1 ZINC001066675736 791970387 /nfs/dbraw/zinc/97/03/87/791970387.db2.gz RSCVZGVKIYREQT-HOCLYGCPSA-N 1 1 343.431 0.356 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](CNc2cnc(C#N)cn2)C1 ZINC001066675811 791970476 /nfs/dbraw/zinc/97/04/76/791970476.db2.gz UFFPDOOOOANQMK-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNc3ccc(C#N)cn3)C2)CC[N@H+]1C ZINC001066686688 791988698 /nfs/dbraw/zinc/98/86/98/791988698.db2.gz XQACRRITYMYVCC-VNQPRFMTSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](CNc2ccncc2C#N)C1 ZINC001066691576 792005937 /nfs/dbraw/zinc/00/59/37/792005937.db2.gz WPGZRWVFDXCGHZ-NVXWUHKLSA-N 1 1 343.431 0.499 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)CC1 ZINC001066728835 792054369 /nfs/dbraw/zinc/05/43/69/792054369.db2.gz GYXADWRJDWGIKT-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCO1 ZINC001066755805 792110238 /nfs/dbraw/zinc/11/02/38/792110238.db2.gz ITGCLQORVUZVCY-HOTGVXAUSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCO1 ZINC001066755805 792110245 /nfs/dbraw/zinc/11/02/45/792110245.db2.gz ITGCLQORVUZVCY-HOTGVXAUSA-N 1 1 335.448 0.570 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1cnc(C#N)cn1 ZINC001067742110 792211830 /nfs/dbraw/zinc/21/18/30/792211830.db2.gz HZFJKUPIXMISBR-LSDHHAIUSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1ccnc(C#N)n1 ZINC001067742653 792212333 /nfs/dbraw/zinc/21/23/33/792212333.db2.gz NQJBMYYUQQQQON-ZIAGYGMSSA-N 1 1 328.420 0.870 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1CN(C)c1ccnc(C#N)n1 ZINC001067763257 792246562 /nfs/dbraw/zinc/24/65/62/792246562.db2.gz UCCVRPMRUHACMI-AWEZNQCLSA-N 1 1 339.403 0.981 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)c1ccnc(C#N)n1 ZINC001067763210 792246574 /nfs/dbraw/zinc/24/65/74/792246574.db2.gz SLMPKHJLFIWNKI-KGLIPLIRSA-N 1 1 328.420 0.727 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccc(C#N)nc3)C2)C1 ZINC001067852686 792372179 /nfs/dbraw/zinc/37/21/79/792372179.db2.gz LTZSFRUFLILBOR-QWFMPGPPSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccc(C#N)nc3)C2)C1 ZINC001067852686 792372189 /nfs/dbraw/zinc/37/21/89/792372189.db2.gz LTZSFRUFLILBOR-QWFMPGPPSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3cnc(C#N)cn3)C2)C1 ZINC001067852748 792372777 /nfs/dbraw/zinc/37/27/77/792372777.db2.gz OJNMMHWYQHNAFU-PIMMBPRGSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3cnc(C#N)cn3)C2)C1 ZINC001067852748 792372788 /nfs/dbraw/zinc/37/27/88/792372788.db2.gz OJNMMHWYQHNAFU-PIMMBPRGSA-N 1 1 344.419 0.376 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC[C@H]1C ZINC001067960991 792508570 /nfs/dbraw/zinc/50/85/70/792508570.db2.gz KYUKGTNSQIXJGC-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001066987488 792516592 /nfs/dbraw/zinc/51/65/92/792516592.db2.gz VPXCYSTUKRKTCG-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001066987488 792516604 /nfs/dbraw/zinc/51/66/04/792516604.db2.gz VPXCYSTUKRKTCG-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1cc(C#N)c[nH]1 ZINC001067007764 792561916 /nfs/dbraw/zinc/56/19/16/792561916.db2.gz LYICPXJEEDCAAF-OAHLLOKOSA-N 1 1 331.420 0.901 20 30 ECEDMO C#CCCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001067078791 792672404 /nfs/dbraw/zinc/67/24/04/792672404.db2.gz QFIWNSHFNBJDCD-MRXNPFEDSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CCCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001067078791 792672411 /nfs/dbraw/zinc/67/24/11/792672411.db2.gz QFIWNSHFNBJDCD-MRXNPFEDSA-N 1 1 337.464 0.818 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3ccc(C#N)nc3)CC2(C)C)C1 ZINC001068102069 792672507 /nfs/dbraw/zinc/67/25/07/792672507.db2.gz GYZIAHAKMJNKIH-HOTGVXAUSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3ccc(C#N)nc3)CC2(C)C)C1 ZINC001068102069 792672514 /nfs/dbraw/zinc/67/25/14/792672514.db2.gz GYZIAHAKMJNKIH-HOTGVXAUSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3cncc(C#N)n3)CC2(C)C)C1 ZINC001068102689 792676038 /nfs/dbraw/zinc/67/60/38/792676038.db2.gz VWMIWGUOACSYKO-KGLIPLIRSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3cncc(C#N)n3)CC2(C)C)C1 ZINC001068102689 792676042 /nfs/dbraw/zinc/67/60/42/792676042.db2.gz VWMIWGUOACSYKO-KGLIPLIRSA-N 1 1 344.419 0.010 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001067292652 792946245 /nfs/dbraw/zinc/94/62/45/792946245.db2.gz SYZKTGYNRRLANI-CRAIPNDOSA-N 1 1 339.480 0.962 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1C ZINC001067400186 793099146 /nfs/dbraw/zinc/09/91/46/793099146.db2.gz BDYKTSUCQDBGRC-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1C ZINC001067421668 793130632 /nfs/dbraw/zinc/13/06/32/793130632.db2.gz YVLPQAZHRPHSQF-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001068389018 793181167 /nfs/dbraw/zinc/18/11/67/793181167.db2.gz USAUEWFFGFJQJR-UHFFFAOYSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001068389283 793182666 /nfs/dbraw/zinc/18/26/66/793182666.db2.gz BFQPNEYLMYPXAM-JKSUJKDBSA-N 1 1 347.459 0.427 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001068406497 793239710 /nfs/dbraw/zinc/23/97/10/793239710.db2.gz VUCASHYKZOPGCX-UHFFFAOYSA-N 1 1 349.475 0.816 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068406527 793240794 /nfs/dbraw/zinc/24/07/94/793240794.db2.gz WRIPQHUZAUEOBX-UHFFFAOYSA-N 1 1 333.432 0.180 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001068451833 793334525 /nfs/dbraw/zinc/33/45/25/793334525.db2.gz UFUAJBICOOGFJC-CYBMUJFWSA-N 1 1 336.436 0.316 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cccn2)C1 ZINC001267502481 837578141 /nfs/dbraw/zinc/57/81/41/837578141.db2.gz UWJSXWPTXABLKY-LSDHHAIUSA-N 1 1 333.436 0.402 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@H]1CC[C@@H](F)C1)CC(=O)NCC#N ZINC001267508531 837595105 /nfs/dbraw/zinc/59/51/05/837595105.db2.gz XPNMMCGQOCBIBJ-UONOGXRCSA-N 1 1 326.416 0.981 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(CC=C)C1=O ZINC001267530633 837704433 /nfs/dbraw/zinc/70/44/33/837704433.db2.gz VRSVIAIBJPNLQO-WCXIOVBPSA-N 1 1 345.443 0.487 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](CCC)S(N)(=O)=O)C1 ZINC001267544886 837733431 /nfs/dbraw/zinc/73/34/31/837733431.db2.gz VGWZACAWDNZXRQ-KBPBESRZSA-N 1 1 331.482 0.943 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](CCC)S(N)(=O)=O)C1 ZINC001267544886 837733437 /nfs/dbraw/zinc/73/34/37/837733437.db2.gz VGWZACAWDNZXRQ-KBPBESRZSA-N 1 1 331.482 0.943 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cnn(C)c2)C1 ZINC001267552167 837754592 /nfs/dbraw/zinc/75/45/92/837754592.db2.gz VTUYUDLXGFELAU-UONOGXRCSA-N 1 1 333.436 0.553 20 30 ECEDMO CN(CC[N@H+]1CC[C@H](CCNC(=O)C#CC2CC2)C1)S(C)(=O)=O ZINC001267555149 837761634 /nfs/dbraw/zinc/76/16/34/837761634.db2.gz DEEVJVKVRYJGDB-HNNXBMFYSA-N 1 1 341.477 0.119 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001267557039 837764602 /nfs/dbraw/zinc/76/46/02/837764602.db2.gz XJNASGLTXZNXQU-LSDHHAIUSA-N 1 1 335.448 0.474 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2cn(C)nc2COC)C1 ZINC001267557266 837766108 /nfs/dbraw/zinc/76/61/08/837766108.db2.gz AXVZJJKCONSUFJ-HNNXBMFYSA-N 1 1 348.447 0.658 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccnn2C(C)C)C1 ZINC001267559609 837768993 /nfs/dbraw/zinc/76/89/93/837768993.db2.gz YHMXCXYKEMLKCG-OAHLLOKOSA-N 1 1 345.447 0.655 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)C(F)(F)F)C1 ZINC001267561586 837773745 /nfs/dbraw/zinc/77/37/45/837773745.db2.gz GMOFOSFERUYPAT-NWDGAFQWSA-N 1 1 333.354 0.762 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@@H]2CC[N@H+](CC(=O)N(C)CC)C2)c1 ZINC001267564943 837782108 /nfs/dbraw/zinc/78/21/08/837782108.db2.gz HUESKCRONVZNHQ-MRXNPFEDSA-N 1 1 342.443 0.983 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@@H]2CC[N@H+](C[C@H](O)COC)C2)cn1 ZINC001267567293 837786200 /nfs/dbraw/zinc/78/62/00/837786200.db2.gz APSHJIATFYPTKK-PBHICJAKSA-N 1 1 331.416 0.512 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CCNC(=O)CNC(=O)NCc2ccco2)C1 ZINC001267571598 837806316 /nfs/dbraw/zinc/80/63/16/837806316.db2.gz OPXQRTOUVLHYEN-CQSZACIVSA-N 1 1 332.404 0.540 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CCN1CCN(CC#N)CC1 ZINC001267573813 837817659 /nfs/dbraw/zinc/81/76/59/837817659.db2.gz ZPPHVTRJWPBQCC-KRWDZBQOSA-N 1 1 335.496 0.706 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cn(CCC(C)C)nn2)CC1 ZINC001267574328 837820730 /nfs/dbraw/zinc/82/07/30/837820730.db2.gz CLPAAKCSCWZOMA-UHFFFAOYSA-N 1 1 346.479 0.647 20 30 ECEDMO Cc1nccc(C(=O)NCCC[C@H]2CCC[N@H+]2CC(=O)NCC#N)n1 ZINC001266244575 835549300 /nfs/dbraw/zinc/54/93/00/835549300.db2.gz RYLXLOAUAYYGRD-AWEZNQCLSA-N 1 1 344.419 0.399 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CC[NH+](CCCNC(=O)C2CCC2)CC1 ZINC001266254778 835560313 /nfs/dbraw/zinc/56/03/13/835560313.db2.gz VHFXGYNPDYETFO-HNNXBMFYSA-N 1 1 334.464 0.048 20 30 ECEDMO COc1cncc(CN2CC[NH+](CCCNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001266259485 835568142 /nfs/dbraw/zinc/56/81/42/835568142.db2.gz FGKCYZXOJFUGPD-AWEZNQCLSA-N 1 1 346.435 0.269 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001266275234 835598465 /nfs/dbraw/zinc/59/84/65/835598465.db2.gz RBAUQZGCANTLET-STQMWFEESA-N 1 1 331.420 0.016 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001266275234 835598469 /nfs/dbraw/zinc/59/84/69/835598469.db2.gz RBAUQZGCANTLET-STQMWFEESA-N 1 1 331.420 0.016 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001266274957 835598726 /nfs/dbraw/zinc/59/87/26/835598726.db2.gz HGJVBJLKRYKMDS-VNQPRFMTSA-N 1 1 330.432 0.924 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001266274957 835598731 /nfs/dbraw/zinc/59/87/31/835598731.db2.gz HGJVBJLKRYKMDS-VNQPRFMTSA-N 1 1 330.432 0.924 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccn(C(F)F)n1 ZINC001266278822 835605121 /nfs/dbraw/zinc/60/51/21/835605121.db2.gz SWVVXLHRSQNGAD-SNVBAGLBSA-N 1 1 327.335 0.078 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccn(C(F)F)n1 ZINC001266278822 835605124 /nfs/dbraw/zinc/60/51/24/835605124.db2.gz SWVVXLHRSQNGAD-SNVBAGLBSA-N 1 1 327.335 0.078 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)C[C@H]2CCOC[C@@H]2OCC)CC1 ZINC001266288043 835630777 /nfs/dbraw/zinc/63/07/77/835630777.db2.gz OYTKFVQMHBELND-SJORKVTESA-N 1 1 337.464 0.185 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1=O ZINC001266297348 835646701 /nfs/dbraw/zinc/64/67/01/835646701.db2.gz LSZAKYAYHFGVMB-GVDBMIGSSA-N 1 1 349.475 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1=O ZINC001266297348 835646706 /nfs/dbraw/zinc/64/67/06/835646706.db2.gz LSZAKYAYHFGVMB-GVDBMIGSSA-N 1 1 349.475 0.884 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@H](C)Oc2ccccn2)CC1 ZINC001266297962 835649963 /nfs/dbraw/zinc/64/99/63/835649963.db2.gz ZOYZTWOGMQQWTB-INIZCTEOSA-N 1 1 330.432 0.606 20 30 ECEDMO COCC#CC[N@@H+](C)[C@H](C)CNC(=O)CC(=O)NCC(F)(F)F ZINC001282479702 835726835 /nfs/dbraw/zinc/72/68/35/835726835.db2.gz ZSFUSVNFISLDIT-LLVKDONJSA-N 1 1 337.342 0.141 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345344 835735600 /nfs/dbraw/zinc/73/56/00/835735600.db2.gz RRLJOYZEBIKRKI-ZFWWWQNUSA-N 1 1 345.447 0.642 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345344 835735615 /nfs/dbraw/zinc/73/56/15/835735615.db2.gz RRLJOYZEBIKRKI-ZFWWWQNUSA-N 1 1 345.447 0.642 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC=C)C1 ZINC001266356304 835760268 /nfs/dbraw/zinc/76/02/68/835760268.db2.gz SQNKEYUDBLEPPS-QGZVFWFLSA-N 1 1 325.412 0.703 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC=C)C1 ZINC001266356304 835760275 /nfs/dbraw/zinc/76/02/75/835760275.db2.gz SQNKEYUDBLEPPS-QGZVFWFLSA-N 1 1 325.412 0.703 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCCO2)CC1 ZINC001266365986 835778327 /nfs/dbraw/zinc/77/83/27/835778327.db2.gz KZIKHLXYKSFKRM-UONOGXRCSA-N 1 1 334.420 0.166 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)CC[C@H]2CCOC2)CC1 ZINC001266368113 835780086 /nfs/dbraw/zinc/78/00/86/835780086.db2.gz DCJBNHXFLIVMKB-LSDHHAIUSA-N 1 1 348.447 0.414 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001266390660 835800679 /nfs/dbraw/zinc/80/06/79/835800679.db2.gz GXYCHPXOMSXHPT-GDBMZVCRSA-N 1 1 335.448 0.522 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001266390660 835800684 /nfs/dbraw/zinc/80/06/84/835800684.db2.gz GXYCHPXOMSXHPT-GDBMZVCRSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1cc(C)ncn1 ZINC001266394377 835802500 /nfs/dbraw/zinc/80/25/00/835802500.db2.gz NYYQPIIQIRCNDH-KRWDZBQOSA-N 1 1 329.448 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1cc(C)ncn1 ZINC001266394377 835802506 /nfs/dbraw/zinc/80/25/06/835802506.db2.gz NYYQPIIQIRCNDH-KRWDZBQOSA-N 1 1 329.448 0.821 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1ccn(C)c1CC ZINC001266418394 835823851 /nfs/dbraw/zinc/82/38/51/835823851.db2.gz YHQNKUKJWFWHKS-AWEZNQCLSA-N 1 1 332.448 0.777 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1ccn(C)c1CC ZINC001266418394 835823859 /nfs/dbraw/zinc/82/38/59/835823859.db2.gz YHQNKUKJWFWHKS-AWEZNQCLSA-N 1 1 332.448 0.777 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ccc(C2CC2)cn1)CC(=O)NCC#N ZINC001266434662 835838832 /nfs/dbraw/zinc/83/88/32/835838832.db2.gz JHFKPLIHEBYDJB-UHFFFAOYSA-N 1 1 329.404 0.650 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ccc(C2CC2)cn1)CC(=O)NCC#N ZINC001266434662 835838840 /nfs/dbraw/zinc/83/88/40/835838840.db2.gz JHFKPLIHEBYDJB-UHFFFAOYSA-N 1 1 329.404 0.650 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC001266434588 835839160 /nfs/dbraw/zinc/83/91/60/835839160.db2.gz GBHYORPZCJMFKG-MRXNPFEDSA-N 1 1 345.443 0.893 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)n2cccn2)C1 ZINC001266448974 835852828 /nfs/dbraw/zinc/85/28/28/835852828.db2.gz WZVZJVKDPIINFS-HOTGVXAUSA-N 1 1 345.447 0.364 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001266467983 835870326 /nfs/dbraw/zinc/87/03/26/835870326.db2.gz HPADSGNQQOURBK-ZDUSSCGKSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001266467983 835870333 /nfs/dbraw/zinc/87/03/33/835870333.db2.gz HPADSGNQQOURBK-ZDUSSCGKSA-N 1 1 335.354 0.908 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc2n[nH]nc21 ZINC001266471311 835874260 /nfs/dbraw/zinc/87/42/60/835874260.db2.gz MKXGRIXVVFFJQK-LBPRGKRZSA-N 1 1 328.376 0.197 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccnc2n[nH]nc21 ZINC001266471311 835874265 /nfs/dbraw/zinc/87/42/65/835874265.db2.gz MKXGRIXVVFFJQK-LBPRGKRZSA-N 1 1 328.376 0.197 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001266472284 835876679 /nfs/dbraw/zinc/87/66/79/835876679.db2.gz HAYOLECPKUAIOO-AWEZNQCLSA-N 1 1 334.420 0.074 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C(F)F ZINC001266482654 835882783 /nfs/dbraw/zinc/88/27/83/835882783.db2.gz FZZIYWUDISWKTK-NWDGAFQWSA-N 1 1 329.391 0.996 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C(F)F ZINC001266482654 835882787 /nfs/dbraw/zinc/88/27/87/835882787.db2.gz FZZIYWUDISWKTK-NWDGAFQWSA-N 1 1 329.391 0.996 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001266488832 835889542 /nfs/dbraw/zinc/88/95/42/835889542.db2.gz QHRYLSJXMKSNJG-UKRRQHHQSA-N 1 1 345.447 0.397 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001266488832 835889547 /nfs/dbraw/zinc/88/95/47/835889547.db2.gz QHRYLSJXMKSNJG-UKRRQHHQSA-N 1 1 345.447 0.397 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001266498658 835898222 /nfs/dbraw/zinc/89/82/22/835898222.db2.gz ZBWMXDNIIRZMID-CQSZACIVSA-N 1 1 332.404 0.577 20 30 ECEDMO CCCCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001266505138 835907180 /nfs/dbraw/zinc/90/71/80/835907180.db2.gz DFAPRPDBMYPFEH-ZDUSSCGKSA-N 1 1 331.420 0.854 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CCc2ccoc2)C1 ZINC001266509089 835913977 /nfs/dbraw/zinc/91/39/77/835913977.db2.gz MCBJKSCHBHGCFG-GOEBONIOSA-N 1 1 331.416 0.788 20 30 ECEDMO C#CCCCCC(=O)NC[C@H]1CC[N@H+](CC(=O)NC(=O)NCC)C1 ZINC001266509976 835915835 /nfs/dbraw/zinc/91/58/35/835915835.db2.gz WZZNVUQRZPYPFQ-CQSZACIVSA-N 1 1 336.436 0.464 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001266514669 835925775 /nfs/dbraw/zinc/92/57/75/835925775.db2.gz UJUMOHVKHQPSIV-BHYGNILZSA-N 1 1 340.427 0.373 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(COC)CCC2)C1 ZINC001266523437 835938419 /nfs/dbraw/zinc/93/84/19/835938419.db2.gz NPMFQSZQSHXUKS-CABCVRRESA-N 1 1 335.448 0.379 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2ncccc2F)C1 ZINC001266527844 835943007 /nfs/dbraw/zinc/94/30/07/835943007.db2.gz FKMAOQFESSMVRQ-UONOGXRCSA-N 1 1 348.422 0.892 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2nc(Cl)cs2)C1 ZINC001266528017 835943602 /nfs/dbraw/zinc/94/36/02/835943602.db2.gz IBKOVCCXVYJKQX-VIFPVBQESA-N 1 1 341.824 0.488 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2nc(Cl)cs2)C1 ZINC001266528017 835943610 /nfs/dbraw/zinc/94/36/10/835943610.db2.gz IBKOVCCXVYJKQX-VIFPVBQESA-N 1 1 341.824 0.488 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN(CC(=O)NCC#N)C2)C1 ZINC001266528405 835944811 /nfs/dbraw/zinc/94/48/11/835944811.db2.gz PAKOPNIKZLHRKN-JKSUJKDBSA-N 1 1 349.479 0.186 20 30 ECEDMO N#CCSCC(=O)NCCN1CCC([NH2+]Cc2ncccn2)CC1 ZINC001279423854 835945858 /nfs/dbraw/zinc/94/58/58/835945858.db2.gz CKWSTSVWWZHNRT-UHFFFAOYSA-N 1 1 348.476 0.404 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001266546879 835968632 /nfs/dbraw/zinc/96/86/32/835968632.db2.gz YTEYXUHCZBGNCR-GJZGRUSLSA-N 1 1 328.416 0.373 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)c2cccnc2)C1 ZINC001266546880 835969059 /nfs/dbraw/zinc/96/90/59/835969059.db2.gz YTEYXUHCZBGNCR-HUUCEWRRSA-N 1 1 328.416 0.373 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)c2cnn(C)c2C2CC2)C1 ZINC001266551634 835977217 /nfs/dbraw/zinc/97/72/17/835977217.db2.gz WKKAZNPRADJNML-CQSZACIVSA-N 1 1 330.432 0.999 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001266565014 835993432 /nfs/dbraw/zinc/99/34/32/835993432.db2.gz IZWQZLRAWVIQLQ-HNNXBMFYSA-N 1 1 338.452 0.255 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1cccc2c[nH]nc21 ZINC001266566404 835996621 /nfs/dbraw/zinc/99/66/21/835996621.db2.gz BYNCRQFMXSXVED-UHFFFAOYSA-N 1 1 341.415 0.754 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1cccc2c[nH]nc21 ZINC001266566404 835996628 /nfs/dbraw/zinc/99/66/28/835996628.db2.gz BYNCRQFMXSXVED-UHFFFAOYSA-N 1 1 341.415 0.754 20 30 ECEDMO C=CCCOCC(=O)N1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001266569596 835999170 /nfs/dbraw/zinc/99/91/70/835999170.db2.gz DEYHMDWBTBWKPK-ZDUSSCGKSA-N 1 1 335.408 0.092 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1ccnc2ccnn21)C1CC1 ZINC001266594970 836026678 /nfs/dbraw/zinc/02/66/78/836026678.db2.gz VUQRWKGCLUMCJX-UHFFFAOYSA-N 1 1 342.403 0.226 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1ccnc2ccnn21)C1CC1 ZINC001266594970 836026691 /nfs/dbraw/zinc/02/66/91/836026691.db2.gz VUQRWKGCLUMCJX-UHFFFAOYSA-N 1 1 342.403 0.226 20 30 ECEDMO C=CCNC(=O)CN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001266614303 836048284 /nfs/dbraw/zinc/04/82/84/836048284.db2.gz ZXKVVJKYKWYXTL-DLBZAZTESA-N 1 1 348.491 0.886 20 30 ECEDMO CC(C)(C)OCC(=O)N1CC2(C1)CCC[N@H+](CC(=O)NCC#N)C2 ZINC001282956688 836054307 /nfs/dbraw/zinc/05/43/07/836054307.db2.gz JSNWRHJJZMXGHE-UHFFFAOYSA-N 1 1 336.436 0.366 20 30 ECEDMO CC(C)(C)OCC(=O)N1CC2(C1)CCC[N@@H+](CC(=O)NCC#N)C2 ZINC001282956688 836054319 /nfs/dbraw/zinc/05/43/19/836054319.db2.gz JSNWRHJJZMXGHE-UHFFFAOYSA-N 1 1 336.436 0.366 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(F)cc(F)c1)C1CC1 ZINC001266619217 836054914 /nfs/dbraw/zinc/05/49/14/836054914.db2.gz DSIQLDVEXCUYRN-UHFFFAOYSA-N 1 1 336.342 0.799 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1cc(F)cc(F)c1)C1CC1 ZINC001266619217 836054928 /nfs/dbraw/zinc/05/49/28/836054928.db2.gz DSIQLDVEXCUYRN-UHFFFAOYSA-N 1 1 336.342 0.799 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CN(C(C)=O)C2)C1 ZINC001266658371 836092444 /nfs/dbraw/zinc/09/24/44/836092444.db2.gz CEJIIFNZSAESBW-AEFFLSMTSA-N 1 1 349.475 0.980 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2nnc(C)[nH]2)C1 ZINC001266660296 836098778 /nfs/dbraw/zinc/09/87/78/836098778.db2.gz VZUORWFMWYGDMQ-HOTGVXAUSA-N 1 1 345.447 0.618 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CNC(=O)CC)C1 ZINC001266743278 836225777 /nfs/dbraw/zinc/22/57/77/836225777.db2.gz LRPMSANDHMZTRT-ZIAGYGMSSA-N 1 1 338.452 0.032 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnccc2C)C1 ZINC001266742577 836227141 /nfs/dbraw/zinc/22/71/41/836227141.db2.gz CARNKMGKYBDTKY-HNNXBMFYSA-N 1 1 328.416 0.581 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001266749143 836237222 /nfs/dbraw/zinc/23/72/22/836237222.db2.gz FCJGFODMKOJRRL-CYBMUJFWSA-N 1 1 334.424 0.171 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001266749510 836238606 /nfs/dbraw/zinc/23/86/06/836238606.db2.gz IPFWUEAYKCLLCI-HNNXBMFYSA-N 1 1 345.447 0.634 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)COC ZINC001266844760 836371111 /nfs/dbraw/zinc/37/11/11/836371111.db2.gz PLMBKWXEABBARJ-IKGGRYGDSA-N 1 1 337.464 0.062 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1c(C)cc(C)nc1=O ZINC001266858308 836396634 /nfs/dbraw/zinc/39/66/34/836396634.db2.gz SAKRSSGJFUXFKL-MRXNPFEDSA-N 1 1 330.432 0.854 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(C)nc2C)C1 ZINC001266893795 836443526 /nfs/dbraw/zinc/44/35/26/836443526.db2.gz SKULXFMEROIUKS-ZFWWWQNUSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266901031 836453719 /nfs/dbraw/zinc/45/37/19/836453719.db2.gz IIUNMSZKWHYZLW-NRKLIOEPSA-N 1 1 346.475 0.044 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266901031 836453724 /nfs/dbraw/zinc/45/37/24/836453724.db2.gz IIUNMSZKWHYZLW-NRKLIOEPSA-N 1 1 346.475 0.044 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nccn1C(F)F ZINC001266948656 836512565 /nfs/dbraw/zinc/51/25/65/836512565.db2.gz FRSHTRPVWARZNJ-OLZOCXBDSA-N 1 1 339.390 0.970 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC001267099696 836768799 /nfs/dbraw/zinc/76/87/99/836768799.db2.gz BXTLLTDVLIVWNP-GJZGRUSLSA-N 1 1 333.436 0.497 20 30 ECEDMO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001267104173 836780080 /nfs/dbraw/zinc/78/00/80/836780080.db2.gz NLSUVKLDAQCLFW-LSDHHAIUSA-N 1 1 343.431 0.709 20 30 ECEDMO CCS(=O)(=O)NCC[N@H+](C)[C@@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001267106041 836786390 /nfs/dbraw/zinc/78/63/90/836786390.db2.gz ODGMGJHXXBHNLW-OAHLLOKOSA-N 1 1 343.493 0.508 20 30 ECEDMO CCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001267106041 836786394 /nfs/dbraw/zinc/78/63/94/836786394.db2.gz ODGMGJHXXBHNLW-OAHLLOKOSA-N 1 1 343.493 0.508 20 30 ECEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267108388 836790828 /nfs/dbraw/zinc/79/08/28/836790828.db2.gz OKTZADUTPIOEPS-HUUCEWRRSA-N 1 1 326.462 0.757 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)cnn2C)C1 ZINC001267108346 836791141 /nfs/dbraw/zinc/79/11/41/836791141.db2.gz MZNWTPWSAQXYGL-CABCVRRESA-N 1 1 347.463 0.956 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(COCC)CC2)C1 ZINC001267109576 836795018 /nfs/dbraw/zinc/79/50/18/836795018.db2.gz ZOOGCFXJSZFYPG-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)C2(COCC)CC2)C1 ZINC001267109576 836795023 /nfs/dbraw/zinc/79/50/23/836795023.db2.gz ZOOGCFXJSZFYPG-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)c1ccco1 ZINC001267111621 836798425 /nfs/dbraw/zinc/79/84/25/836798425.db2.gz QYCOHUKTTVLSSL-ZIAGYGMSSA-N 1 1 332.404 0.946 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)c1ccco1 ZINC001267111621 836798432 /nfs/dbraw/zinc/79/84/32/836798432.db2.gz QYCOHUKTTVLSSL-ZIAGYGMSSA-N 1 1 332.404 0.946 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001418379375 836818350 /nfs/dbraw/zinc/81/83/50/836818350.db2.gz MLKJRAOAJXSEON-VXGBXAGGSA-N 1 1 337.873 0.599 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001418379375 836818356 /nfs/dbraw/zinc/81/83/56/836818356.db2.gz MLKJRAOAJXSEON-VXGBXAGGSA-N 1 1 337.873 0.599 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CCOC1 ZINC001267163442 836881846 /nfs/dbraw/zinc/88/18/46/836881846.db2.gz UDUHRZMBIZYHIM-JKSUJKDBSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1nncn1C ZINC001267163809 836883016 /nfs/dbraw/zinc/88/30/16/836883016.db2.gz AANYSTJMSSIREV-HUUCEWRRSA-N 1 1 333.436 0.714 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1nncn1C ZINC001267163809 836883022 /nfs/dbraw/zinc/88/30/22/836883022.db2.gz AANYSTJMSSIREV-HUUCEWRRSA-N 1 1 333.436 0.714 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC1(F)F ZINC001267164848 836885459 /nfs/dbraw/zinc/88/54/59/836885459.db2.gz OAALICFQXZNAMV-STQMWFEESA-N 1 1 327.375 0.752 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CCn3cncc3C2)C1=O ZINC001267202670 836979757 /nfs/dbraw/zinc/97/97/57/836979757.db2.gz GSLOPWNJUXAXJA-HOCLYGCPSA-N 1 1 345.447 0.280 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CCn3cncc3C2)C1=O ZINC001267202670 836979764 /nfs/dbraw/zinc/97/97/64/836979764.db2.gz GSLOPWNJUXAXJA-HOCLYGCPSA-N 1 1 345.447 0.280 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001267213184 837002909 /nfs/dbraw/zinc/00/29/09/837002909.db2.gz CHKVCDMFICLJSY-KGLIPLIRSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001267213184 837002921 /nfs/dbraw/zinc/00/29/21/837002921.db2.gz CHKVCDMFICLJSY-KGLIPLIRSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@H+](C)Cc2cccc(C(N)=O)c2)nn1 ZINC001267221075 837012618 /nfs/dbraw/zinc/01/26/18/837012618.db2.gz RVDSQEQTGOANMM-UHFFFAOYSA-N 1 1 342.403 0.425 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H](OC)C(F)(F)F ZINC001267224431 837020365 /nfs/dbraw/zinc/02/03/65/837020365.db2.gz CPZNYCJMRAOXIC-GHMZBOCLSA-N 1 1 337.342 0.140 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H](OC)C(F)(F)F ZINC001267224431 837020374 /nfs/dbraw/zinc/02/03/74/837020374.db2.gz CPZNYCJMRAOXIC-GHMZBOCLSA-N 1 1 337.342 0.140 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)CCNC(=O)c1cccnc1C(N)=O ZINC001267230799 837033572 /nfs/dbraw/zinc/03/35/72/837033572.db2.gz CTXJVOWJPTYPBZ-UHFFFAOYSA-N 1 1 336.395 0.894 20 30 ECEDMO C[N@H+](CC#Cc1ccccc1)CCNC(=O)c1cccnc1C(N)=O ZINC001267230799 837033583 /nfs/dbraw/zinc/03/35/83/837033583.db2.gz CTXJVOWJPTYPBZ-UHFFFAOYSA-N 1 1 336.395 0.894 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2cc(OC)ncn2)C1=O ZINC001267242260 837050945 /nfs/dbraw/zinc/05/09/45/837050945.db2.gz ZERXDQXOHCKSCC-CQSZACIVSA-N 1 1 347.419 0.324 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1sc(C)cc1OC ZINC001267251041 837068927 /nfs/dbraw/zinc/06/89/27/837068927.db2.gz SLGLOSXQSQAZJL-UHFFFAOYSA-N 1 1 337.445 0.866 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1sc(C)cc1OC ZINC001267251041 837068934 /nfs/dbraw/zinc/06/89/34/837068934.db2.gz SLGLOSXQSQAZJL-UHFFFAOYSA-N 1 1 337.445 0.866 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc2c([nH]1)CCCC2 ZINC001267254068 837073714 /nfs/dbraw/zinc/07/37/14/837073714.db2.gz BIVOBTGZGLDSQN-UHFFFAOYSA-N 1 1 330.432 0.695 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc2c([nH]1)CCCC2 ZINC001267254068 837073725 /nfs/dbraw/zinc/07/37/25/837073725.db2.gz BIVOBTGZGLDSQN-UHFFFAOYSA-N 1 1 330.432 0.695 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001267266325 837103632 /nfs/dbraw/zinc/10/36/32/837103632.db2.gz CYUHWMBRXLJBOC-CVEARBPZSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001267266325 837103637 /nfs/dbraw/zinc/10/36/37/837103637.db2.gz CYUHWMBRXLJBOC-CVEARBPZSA-N 1 1 349.475 0.912 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC001267267274 837105607 /nfs/dbraw/zinc/10/56/07/837105607.db2.gz NNDQEQFMLYVZBY-GDBMZVCRSA-N 1 1 347.415 0.628 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCCc1cccnc1 ZINC001267279873 837128091 /nfs/dbraw/zinc/12/80/91/837128091.db2.gz MSGLZDWEAQAUNY-QGZVFWFLSA-N 1 1 342.443 0.734 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCc1cccnc1 ZINC001267279873 837128096 /nfs/dbraw/zinc/12/80/96/837128096.db2.gz MSGLZDWEAQAUNY-QGZVFWFLSA-N 1 1 342.443 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC(C)C)cn1 ZINC001267280999 837128920 /nfs/dbraw/zinc/12/89/20/837128920.db2.gz IKIULIOCEWZGCI-INIZCTEOSA-N 1 1 328.416 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC(C)C)cn1 ZINC001267280999 837128923 /nfs/dbraw/zinc/12/89/23/837128923.db2.gz IKIULIOCEWZGCI-INIZCTEOSA-N 1 1 328.416 0.782 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3cccnc32)C1 ZINC001267299909 837164068 /nfs/dbraw/zinc/16/40/68/837164068.db2.gz HJXKDBLPSVEHTR-HIFRSBDPSA-N 1 1 341.415 0.189 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3cccnc32)C1 ZINC001267299909 837164073 /nfs/dbraw/zinc/16/40/73/837164073.db2.gz HJXKDBLPSVEHTR-HIFRSBDPSA-N 1 1 341.415 0.189 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001267306502 837177746 /nfs/dbraw/zinc/17/77/46/837177746.db2.gz HZGGNYUFNDPDDE-CYBMUJFWSA-N 1 1 345.403 0.689 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001267307472 837179608 /nfs/dbraw/zinc/17/96/08/837179608.db2.gz SWUNAUJLETYCRC-HUUCEWRRSA-N 1 1 338.452 0.560 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CCc2nccs2)C1 ZINC001267309808 837184959 /nfs/dbraw/zinc/18/49/59/837184959.db2.gz OJHYYEDUGWOXEI-KGLIPLIRSA-N 1 1 348.472 0.652 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NC[C@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001267310604 837185938 /nfs/dbraw/zinc/18/59/38/837185938.db2.gz YXCQBCMZWQIDGG-ZIAGYGMSSA-N 1 1 340.468 0.723 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCC)CCNC(=O)c2nccnc2N)C1=O ZINC001267312398 837187818 /nfs/dbraw/zinc/18/78/18/837187818.db2.gz ZFZDKLNDTQNIPU-ZDUSSCGKSA-N 1 1 346.435 0.288 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)c1cccc(C(=O)NC)n1 ZINC001267319889 837198101 /nfs/dbraw/zinc/19/81/01/837198101.db2.gz SJAVLGVVRMIQEA-UHFFFAOYSA-N 1 1 346.431 0.533 20 30 ECEDMO CCc1cc(C(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)c(C)nn1 ZINC001267330700 837211183 /nfs/dbraw/zinc/21/11/83/837211183.db2.gz KECDIZVKTKYEDV-UHFFFAOYSA-N 1 1 344.419 0.181 20 30 ECEDMO CCc1cc(C(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)c(C)nn1 ZINC001267330700 837211189 /nfs/dbraw/zinc/21/11/89/837211189.db2.gz KECDIZVKTKYEDV-UHFFFAOYSA-N 1 1 344.419 0.181 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1COCCO1)c1ccccc1 ZINC001267350604 837238023 /nfs/dbraw/zinc/23/80/23/837238023.db2.gz GIVQHELFJCEPGR-HOTGVXAUSA-N 1 1 347.415 0.151 20 30 ECEDMO CNC(=O)NCCC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1C#N ZINC001267369173 837268399 /nfs/dbraw/zinc/26/83/99/837268399.db2.gz SKZAJJIIZVNBPR-UHFFFAOYSA-N 1 1 335.383 0.564 20 30 ECEDMO C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001267581660 837845922 /nfs/dbraw/zinc/84/59/22/837845922.db2.gz CDLRVJIZOVRNPX-CQSZACIVSA-N 1 1 343.493 0.365 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001267586940 837865065 /nfs/dbraw/zinc/86/50/65/837865065.db2.gz CJXQDNKCLZLTSU-LBPRGKRZSA-N 1 1 349.391 0.080 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn3cccnc23)C1 ZINC001267587156 837865623 /nfs/dbraw/zinc/86/56/23/837865623.db2.gz HTBHGXYSXZSEAG-OAHLLOKOSA-N 1 1 341.415 0.773 20 30 ECEDMO CC(C)c1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C2)no1 ZINC001267586858 837865929 /nfs/dbraw/zinc/86/59/29/837865929.db2.gz AYDNLJAJPFGSAS-ZDUSSCGKSA-N 1 1 347.419 0.832 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001267586911 837866956 /nfs/dbraw/zinc/86/69/56/837866956.db2.gz BZWKFSFZDVPJTR-ROUUACIJSA-N 1 1 339.439 0.955 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)ccn2)C1 ZINC001267587957 837869142 /nfs/dbraw/zinc/86/91/42/837869142.db2.gz STLIBBDHDVAQSI-AWEZNQCLSA-N 1 1 346.431 0.786 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)C2)C1 ZINC001267590877 837879932 /nfs/dbraw/zinc/87/99/32/837879932.db2.gz XOQBHOZNDSUCRA-AWEZNQCLSA-N 1 1 343.493 0.672 20 30 ECEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001267592277 837885386 /nfs/dbraw/zinc/88/53/86/837885386.db2.gz QUKMPGRCOQNDLD-CYBMUJFWSA-N 1 1 329.404 0.911 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NC3CC3)C2)cn1 ZINC001267593061 837888914 /nfs/dbraw/zinc/88/89/14/837888914.db2.gz BWIYXKGQCOYATL-CQSZACIVSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCNC(=O)CN(C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267593583 837892473 /nfs/dbraw/zinc/89/24/73/837892473.db2.gz NVDVHYJJXVYMKL-JKSUJKDBSA-N 1 1 336.480 0.411 20 30 ECEDMO C=CCNC(=O)CN(C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267593583 837892484 /nfs/dbraw/zinc/89/24/84/837892484.db2.gz NVDVHYJJXVYMKL-JKSUJKDBSA-N 1 1 336.480 0.411 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)c2cccnc2)C1 ZINC001267596118 837899794 /nfs/dbraw/zinc/89/97/94/837899794.db2.gz WUQQPMYGMJZZIK-HZPDHXFCSA-N 1 1 342.443 0.763 20 30 ECEDMO Cc1noc(C)c1CC(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267601254 837920565 /nfs/dbraw/zinc/92/05/65/837920565.db2.gz LJVKUWWFWWLCQI-AWEZNQCLSA-N 1 1 347.419 0.302 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[C@@H]2CCCOC2)C1 ZINC001267601509 837922496 /nfs/dbraw/zinc/92/24/96/837922496.db2.gz OPISHXDPVFLEPA-GJZGRUSLSA-N 1 1 336.436 0.271 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)c2nonc2C)CC1 ZINC001267604232 837934599 /nfs/dbraw/zinc/93/45/99/837934599.db2.gz RGYZAQWRDJJFMV-CYBMUJFWSA-N 1 1 349.435 0.853 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H](OCC)[C@@H]2CCOC2)CC1 ZINC001267608760 837959628 /nfs/dbraw/zinc/95/96/28/837959628.db2.gz BXTYAVKGTHIPRM-SJORKVTESA-N 1 1 337.464 0.137 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cn3ccc(C)cc3n2)CC1 ZINC001267608828 837964739 /nfs/dbraw/zinc/96/47/39/837964739.db2.gz DIDWGRIGQOLTOY-UHFFFAOYSA-N 1 1 339.443 0.966 20 30 ECEDMO C[N@H+](CC(=O)NCC1CC1)C[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625662 838074120 /nfs/dbraw/zinc/07/41/20/838074120.db2.gz OTHXSHXEGSTXGZ-CQSZACIVSA-N 1 1 338.477 0.550 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)OCC(C)C)C1 ZINC001267631101 838089948 /nfs/dbraw/zinc/08/99/48/838089948.db2.gz AVGAXOKWCMNHAY-HOTGVXAUSA-N 1 1 337.464 0.577 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001267638783 838115666 /nfs/dbraw/zinc/11/56/66/838115666.db2.gz RULVTZUPPWHHHU-HZPDHXFCSA-N 1 1 325.453 0.300 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC001267639199 838118374 /nfs/dbraw/zinc/11/83/74/838118374.db2.gz ZVUBBONZLZEKFW-AWEZNQCLSA-N 1 1 333.436 0.723 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)Nc2cnccn2)C1 ZINC001267646035 838131412 /nfs/dbraw/zinc/13/14/12/838131412.db2.gz KGIRPMKUZVEVFD-HNNXBMFYSA-N 1 1 343.431 0.855 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)Nc2cnccn2)C1 ZINC001267646035 838131416 /nfs/dbraw/zinc/13/14/16/838131416.db2.gz KGIRPMKUZVEVFD-HNNXBMFYSA-N 1 1 343.431 0.855 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CCc2cnn(C)c2)C1 ZINC001267646089 838132127 /nfs/dbraw/zinc/13/21/27/838132127.db2.gz LNTLLMHENKLNEB-RDJZCZTQSA-N 1 1 332.448 0.781 20 30 ECEDMO CCO[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1)C1CC1 ZINC001267653331 838157345 /nfs/dbraw/zinc/15/73/45/838157345.db2.gz PQBWEBVYVVYNEB-CJNGLKHVSA-N 1 1 336.436 0.222 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCNC(=O)C2CC2)C1 ZINC001267653516 838157642 /nfs/dbraw/zinc/15/76/42/838157642.db2.gz VERDNAPOUHFYPL-INIZCTEOSA-N 1 1 349.475 0.723 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn3ncccc23)C1 ZINC001267659344 838179480 /nfs/dbraw/zinc/17/94/80/838179480.db2.gz YTYZWYKPRQMNSF-HNNXBMFYSA-N 1 1 341.415 0.773 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cncc(CC)c2)C1 ZINC001267665726 838190068 /nfs/dbraw/zinc/19/00/68/838190068.db2.gz KSIIGACFRGOEQO-INIZCTEOSA-N 1 1 342.443 0.787 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH+]1CC(CNC(=O)c2ccnn2C)C1 ZINC001267676617 838222791 /nfs/dbraw/zinc/22/27/91/838222791.db2.gz NPQMKTBFWRFSNB-UHFFFAOYSA-N 1 1 331.420 0.282 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC001267681603 838239339 /nfs/dbraw/zinc/23/93/39/838239339.db2.gz ONRBVTSHJXUNRK-KBPBESRZSA-N 1 1 337.464 0.766 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC1C[NH+](CC(=O)N2CCCC[C@H]2C)C1 ZINC001267680896 838240896 /nfs/dbraw/zinc/24/08/96/838240896.db2.gz AUSQAWIXHOUKIG-CABCVRRESA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ncc3n2CCCC3)C1 ZINC001267699547 838291179 /nfs/dbraw/zinc/29/11/79/838291179.db2.gz WSRCUSWNPOKYFW-ZDUSSCGKSA-N 1 1 345.447 0.572 20 30 ECEDMO C=CCOCC(=O)N1CCC(C[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001267718412 838369340 /nfs/dbraw/zinc/36/93/40/838369340.db2.gz JRMQOSLEVRBKTA-AWEZNQCLSA-N 1 1 337.420 0.165 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)Cc2ccon2)CC1 ZINC001267724812 838391392 /nfs/dbraw/zinc/39/13/92/838391392.db2.gz NUGRVDMLWYSNSD-UHFFFAOYSA-N 1 1 334.420 0.690 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCCC#CC)C1 ZINC001267729528 838415310 /nfs/dbraw/zinc/41/53/10/838415310.db2.gz ZTQGELLDHLGMNR-GJZGRUSLSA-N 1 1 348.447 0.771 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CCCC#CC)C1 ZINC001267729528 838415314 /nfs/dbraw/zinc/41/53/14/838415314.db2.gz ZTQGELLDHLGMNR-GJZGRUSLSA-N 1 1 348.447 0.771 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001267733774 838424474 /nfs/dbraw/zinc/42/44/74/838424474.db2.gz CLRGONVLMACJHK-HNNXBMFYSA-N 1 1 330.384 0.912 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001267733774 838424478 /nfs/dbraw/zinc/42/44/78/838424478.db2.gz CLRGONVLMACJHK-HNNXBMFYSA-N 1 1 330.384 0.912 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO[C@@H]2CCOC2)C1 ZINC001267744138 838447000 /nfs/dbraw/zinc/44/70/00/838447000.db2.gz FRKGEHKTJIAEPK-KURKYZTESA-N 1 1 349.475 0.470 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(C[N@H+](C)CC(=O)NC)CC2)c1 ZINC001267745652 838451642 /nfs/dbraw/zinc/45/16/42/838451642.db2.gz ADZOUMQLQLMBBC-UHFFFAOYSA-N 1 1 328.416 0.593 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2cccnc2C)CC1 ZINC001267746099 838452008 /nfs/dbraw/zinc/45/20/08/838452008.db2.gz QKBHRCSPZGWPIT-UHFFFAOYSA-N 1 1 342.443 0.923 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(C)cc2)C1 ZINC001267766470 838500932 /nfs/dbraw/zinc/50/09/32/838500932.db2.gz BKVHSQJONSFCLO-QGZVFWFLSA-N 1 1 327.428 0.820 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(C)cc2)C1 ZINC001267766470 838500939 /nfs/dbraw/zinc/50/09/39/838500939.db2.gz BKVHSQJONSFCLO-QGZVFWFLSA-N 1 1 327.428 0.820 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001267767217 838502789 /nfs/dbraw/zinc/50/27/89/838502789.db2.gz NGDBJLOYMKMENS-CVEARBPZSA-N 1 1 330.432 0.628 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2ccsc2)C1 ZINC001267780966 838553322 /nfs/dbraw/zinc/55/33/22/838553322.db2.gz YVJNIVOYPFREIT-HNNXBMFYSA-N 1 1 333.457 0.963 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2ccsc2)C1 ZINC001267780966 838553325 /nfs/dbraw/zinc/55/33/25/838553325.db2.gz YVJNIVOYPFREIT-HNNXBMFYSA-N 1 1 333.457 0.963 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CCn2ccnc2)C1 ZINC001267788245 838567395 /nfs/dbraw/zinc/56/73/95/838567395.db2.gz SWGPBPSACWRPOJ-OAHLLOKOSA-N 1 1 333.436 0.498 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCn2ccnc2)C1 ZINC001267788245 838567397 /nfs/dbraw/zinc/56/73/97/838567397.db2.gz SWGPBPSACWRPOJ-OAHLLOKOSA-N 1 1 333.436 0.498 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001267794928 838574607 /nfs/dbraw/zinc/57/46/07/838574607.db2.gz SOUMPTGCTKBBQG-GDBMZVCRSA-N 1 1 345.447 0.196 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001267794928 838574610 /nfs/dbraw/zinc/57/46/10/838574610.db2.gz SOUMPTGCTKBBQG-GDBMZVCRSA-N 1 1 345.447 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NCc1noc(CC)n1 ZINC001267806632 838584279 /nfs/dbraw/zinc/58/42/79/838584279.db2.gz OEABAOLUNQKLPH-KGLIPLIRSA-N 1 1 333.436 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NCc1noc(CC)n1 ZINC001267806632 838584285 /nfs/dbraw/zinc/58/42/85/838584285.db2.gz OEABAOLUNQKLPH-KGLIPLIRSA-N 1 1 333.436 0.714 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2cccnc2)C1 ZINC001267923697 838799058 /nfs/dbraw/zinc/79/90/58/838799058.db2.gz BLCRMXJNKGVYEL-GOEBONIOSA-N 1 1 330.432 0.895 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2cccnc2)C1 ZINC001267923697 838799069 /nfs/dbraw/zinc/79/90/69/838799069.db2.gz BLCRMXJNKGVYEL-GOEBONIOSA-N 1 1 330.432 0.895 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC001267949168 838841270 /nfs/dbraw/zinc/84/12/70/838841270.db2.gz AYEOZQDJYOJVLD-MRXNPFEDSA-N 1 1 330.432 0.992 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC001267949168 838841279 /nfs/dbraw/zinc/84/12/79/838841279.db2.gz AYEOZQDJYOJVLD-MRXNPFEDSA-N 1 1 330.432 0.992 20 30 ECEDMO COCC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC(=O)N1C)CC2 ZINC001267973813 838905920 /nfs/dbraw/zinc/90/59/20/838905920.db2.gz BACRRBSUWDXTPR-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1C[N@@H+](CCC2CCOCC2)CCO1 ZINC001268021370 838997353 /nfs/dbraw/zinc/99/73/53/838997353.db2.gz FRMUAMRUGLYCOL-QGZVFWFLSA-N 1 1 338.448 0.660 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001268023805 839010519 /nfs/dbraw/zinc/01/05/19/839010519.db2.gz QVSAVKUOYZDKOC-OAHLLOKOSA-N 1 1 348.447 0.794 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001268025893 839026050 /nfs/dbraw/zinc/02/60/50/839026050.db2.gz KYNSGQLHFUMAFA-CQSZACIVSA-N 1 1 345.403 0.832 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)c2[nH]nc(C)c2C)CCCC1 ZINC001268031651 839064422 /nfs/dbraw/zinc/06/44/22/839064422.db2.gz JPTSIPFFKPONER-CQSZACIVSA-N 1 1 345.447 0.797 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1OCC[C@H]1CC)CC2 ZINC001268044901 839205232 /nfs/dbraw/zinc/20/52/32/839205232.db2.gz NEOCBKMAUZIMDS-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[N@H+](C[C@@H](O)Cn3cccn3)CC2)c[nH]1 ZINC000981006224 839314117 /nfs/dbraw/zinc/31/41/17/839314117.db2.gz OXFWDGQKMYCLCU-MRXNPFEDSA-N 1 1 342.403 0.292 20 30 ECEDMO CNS(=O)(=O)CCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000104101552 219347167 /nfs/dbraw/zinc/34/71/67/219347167.db2.gz CIPMYKBEYLKFSN-UHFFFAOYSA-N 1 1 340.424 0.759 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000246396150 243243143 /nfs/dbraw/zinc/24/31/43/243243143.db2.gz JCXBBOOJGGFPKM-HHXXYDBFSA-N 1 1 345.443 0.950 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000451329638 211378117 /nfs/dbraw/zinc/37/81/17/211378117.db2.gz OAUKXMLEBWZLMG-SFHVURJKSA-N 1 1 345.399 0.686 20 30 ECEDMO C#CC[NH+](CC#C)C[C@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000267693495 251260577 /nfs/dbraw/zinc/26/05/77/251260577.db2.gz SMUTYZWQRVWLHG-HNNXBMFYSA-N 1 1 331.368 0.790 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451889336 285001712 /nfs/dbraw/zinc/00/17/12/285001712.db2.gz LWRWOHUOOPTVJF-MELADBBJSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451889336 285001713 /nfs/dbraw/zinc/00/17/13/285001713.db2.gz LWRWOHUOOPTVJF-MELADBBJSA-N 1 1 332.470 0.100 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)C1 ZINC000329707432 285053229 /nfs/dbraw/zinc/05/32/29/285053229.db2.gz KMUWTGBCEKQLGH-BZUAXINKSA-N 1 1 340.468 0.416 20 30 ECEDMO COCC(COC)[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000411862263 208154600 /nfs/dbraw/zinc/15/46/00/208154600.db2.gz OOXONMDBEKNSEK-UHFFFAOYSA-N 1 1 346.431 0.776 20 30 ECEDMO C#CCO[C@@H](C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000294714196 254584308 /nfs/dbraw/zinc/58/43/08/254584308.db2.gz ZUAFIIKINYXKGA-HNNXBMFYSA-N 1 1 343.427 0.980 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000337066573 254663136 /nfs/dbraw/zinc/66/31/36/254663136.db2.gz KXXULMHREHKIQL-GJZGRUSLSA-N 1 1 345.513 0.186 20 30 ECEDMO CC[C@@](C)(C#N)C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000352577043 254711861 /nfs/dbraw/zinc/71/18/61/254711861.db2.gz MJBHFYVVBPNXGG-INIZCTEOSA-N 1 1 332.408 0.535 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1=O ZINC000496632685 255116439 /nfs/dbraw/zinc/11/64/39/255116439.db2.gz MLWZGGJNTRDFLW-DYVFJYSZSA-N 1 1 341.452 0.981 20 30 ECEDMO OCC[C@H]1CSCCN1CC#CC[N@H+]1CCSC[C@@H]1CCO ZINC000341886583 285267478 /nfs/dbraw/zinc/26/74/78/285267478.db2.gz GQCYATHWRCXGMP-HOTGVXAUSA-N 1 1 344.546 0.589 20 30 ECEDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283830225 264156170 /nfs/dbraw/zinc/15/61/70/264156170.db2.gz DVEARDZOVRBNKL-CZUORRHYSA-N 1 1 328.416 0.973 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)c1 ZINC000283982608 264176996 /nfs/dbraw/zinc/17/69/96/264176996.db2.gz MDEHGZINRQTULJ-UHFFFAOYSA-N 1 1 332.429 0.339 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000369356029 270007426 /nfs/dbraw/zinc/00/74/26/270007426.db2.gz UGDKOIDJLUIXAZ-QGZVFWFLSA-N 1 1 328.416 0.695 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000346026727 266128295 /nfs/dbraw/zinc/12/82/95/266128295.db2.gz SMLPQGPYFNEORJ-UHFFFAOYSA-N 1 1 327.406 0.159 20 30 ECEDMO CCN1C(=O)[C@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCN2C1=O ZINC000369450132 266142515 /nfs/dbraw/zinc/14/25/15/266142515.db2.gz BJQQKKCHALKTSI-OAHLLOKOSA-N 1 1 328.372 0.905 20 30 ECEDMO CC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000334133925 266154542 /nfs/dbraw/zinc/15/45/42/266154542.db2.gz WUCOXTZZLVOLNX-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCn2cnc(C#N)n2)C1 ZINC000286456492 267013887 /nfs/dbraw/zinc/01/38/87/267013887.db2.gz AQCFHRCNIVUEDG-CQSZACIVSA-N 1 1 333.440 0.961 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001077969183 782039104 /nfs/dbraw/zinc/03/91/04/782039104.db2.gz BLEYOYJKVSDYFM-VGWMRTNUSA-N 1 1 337.464 0.766 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1sccc1C#N ZINC000340223286 267150132 /nfs/dbraw/zinc/15/01/32/267150132.db2.gz QBNILZHBUVRCNL-GFCCVEGCSA-N 1 1 349.460 0.700 20 30 ECEDMO C[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340998327 267204644 /nfs/dbraw/zinc/20/46/44/267204644.db2.gz SYCFVYSMOQCBJE-DZGCQCFKSA-N 1 1 344.415 0.782 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000368336757 268137920 /nfs/dbraw/zinc/13/79/20/268137920.db2.gz QDLQYOJMEJJRGP-KGLIPLIRSA-N 1 1 326.356 0.481 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000353374838 268200187 /nfs/dbraw/zinc/20/01/87/268200187.db2.gz ORNRHJBJNDKCOH-ZDUSSCGKSA-N 1 1 348.428 0.189 20 30 ECEDMO N#Cc1ccc(S(N)(=O)=O)cc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000367718777 268208971 /nfs/dbraw/zinc/20/89/71/268208971.db2.gz ZWGPXTUDLXHVCJ-STQMWFEESA-N 1 1 336.417 0.481 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000348484053 268277435 /nfs/dbraw/zinc/27/74/35/268277435.db2.gz KORWGSXQIAVQMG-CYBMUJFWSA-N 1 1 336.417 0.640 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000528432783 268295719 /nfs/dbraw/zinc/29/57/19/268295719.db2.gz SBRBJEUYOBXTGB-KBPBESRZSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000528432783 268295721 /nfs/dbraw/zinc/29/57/21/268295721.db2.gz SBRBJEUYOBXTGB-KBPBESRZSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000528390980 268297415 /nfs/dbraw/zinc/29/74/15/268297415.db2.gz QMPQLJGMSWVUJJ-AEFFLSMTSA-N 1 1 345.443 0.952 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000491775645 275383748 /nfs/dbraw/zinc/38/37/48/275383748.db2.gz VINZCNSBENGFPN-ZIAGYGMSSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000491775645 275383749 /nfs/dbraw/zinc/38/37/49/275383749.db2.gz VINZCNSBENGFPN-ZIAGYGMSSA-N 1 1 339.436 0.740 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000356305059 276871229 /nfs/dbraw/zinc/87/12/29/276871229.db2.gz QAXGHGWJLSUXJX-OCCSQVGLSA-N 1 1 328.438 0.608 20 30 ECEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336938581 278267149 /nfs/dbraw/zinc/26/71/49/278267149.db2.gz HQXYJAHRQPDRCF-XGUBFFRZSA-N 1 1 344.481 0.412 20 30 ECEDMO C[C@H](CNC(=O)N1CCc2n[nH]c(=O)cc2C1)C[NH+]1CCOCC1 ZINC000330077414 279240833 /nfs/dbraw/zinc/24/08/33/279240833.db2.gz MYQRMHYEFKKDHB-GFCCVEGCSA-N 1 1 335.408 0.423 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(C(C)=O)CC1 ZINC000330753978 437605150 /nfs/dbraw/zinc/60/51/50/437605150.db2.gz WHFRQWPCFLWDBN-OAHLLOKOSA-N 1 1 326.441 0.612 20 30 ECEDMO CC1(C)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCS1(=O)=O ZINC000329776270 281146487 /nfs/dbraw/zinc/14/64/87/281146487.db2.gz NXJCVVFWKMKLMF-NSHDSACASA-N 1 1 326.422 0.621 20 30 ECEDMO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000343625824 437606745 /nfs/dbraw/zinc/60/67/45/437606745.db2.gz LGGYNZAJSQIEAD-KFWWJZLASA-N 1 1 348.472 0.912 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CCCCS2(=O)=O)CCSC1 ZINC000329615291 289399192 /nfs/dbraw/zinc/39/91/92/289399192.db2.gz DDLFGQSIJVQWFV-OCCSQVGLSA-N 1 1 349.522 0.895 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)c(OC)c1 ZINC000340224935 437614088 /nfs/dbraw/zinc/61/40/88/437614088.db2.gz DMDNKOITGMPXHR-LSDHHAIUSA-N 1 1 334.416 0.984 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000077842110 436257277 /nfs/dbraw/zinc/25/72/77/436257277.db2.gz HMODUFNJKLOGJM-INIZCTEOSA-N 1 1 344.415 0.850 20 30 ECEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)C[C@@H](O)CN1CCOCC1 ZINC000083246583 436370853 /nfs/dbraw/zinc/37/08/53/436370853.db2.gz LCULISMIPUHNTF-MRXNPFEDSA-N 1 1 328.416 0.936 20 30 ECEDMO C[N@H+](Cc1cn2ccccc2c1C#N)C[C@@H](O)CN1CCOCC1 ZINC000083246583 436370857 /nfs/dbraw/zinc/37/08/57/436370857.db2.gz LCULISMIPUHNTF-MRXNPFEDSA-N 1 1 328.416 0.936 20 30 ECEDMO CN(CC(F)(F)F)C(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942894 436420950 /nfs/dbraw/zinc/42/09/50/436420950.db2.gz HHLLPXIHNMBPME-UHFFFAOYSA-N 1 1 332.330 0.749 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)N(C)CCC#N ZINC000092800815 436476425 /nfs/dbraw/zinc/47/64/25/436476425.db2.gz GXEUNNNRUFUMFV-CQSZACIVSA-N 1 1 341.419 0.621 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CCOC3)CC2)o1 ZINC000106882456 436603710 /nfs/dbraw/zinc/60/37/10/436603710.db2.gz WRULOWOTILFLLH-CYBMUJFWSA-N 1 1 333.392 0.224 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCOC3)CC2)o1 ZINC000106882456 436603712 /nfs/dbraw/zinc/60/37/12/436603712.db2.gz WRULOWOTILFLLH-CYBMUJFWSA-N 1 1 333.392 0.224 20 30 ECEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000057148295 436605527 /nfs/dbraw/zinc/60/55/27/436605527.db2.gz QASXSJLSSZFDCL-FRRDWIJNSA-N 1 1 333.436 0.734 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000114959047 436645897 /nfs/dbraw/zinc/64/58/97/436645897.db2.gz ISJSQESLLQKJGQ-AWEZNQCLSA-N 1 1 337.468 0.099 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H](O)CC3)CC2)o1 ZINC000550158745 302344304 /nfs/dbraw/zinc/34/43/04/302344304.db2.gz CWHPMESYLXFBIA-CQSZACIVSA-N 1 1 347.419 0.350 20 30 ECEDMO CC(C)[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1nc(-c2nc[nH]n2)no1 ZINC000120788566 436697327 /nfs/dbraw/zinc/69/73/27/436697327.db2.gz HIDKRHKNKOSCCE-GFCCVEGCSA-N 1 1 346.395 0.904 20 30 ECEDMO CC(C)[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1nc(-c2nc[nH]n2)no1 ZINC000120788380 436698430 /nfs/dbraw/zinc/69/84/30/436698430.db2.gz HIDKRHKNKOSCCE-LBPRGKRZSA-N 1 1 346.395 0.904 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000139128242 436662300 /nfs/dbraw/zinc/66/23/00/436662300.db2.gz AHHBUIJHFVONGM-UHFFFAOYSA-N 1 1 349.391 0.189 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](NC(N)=O)C2)c(OC)c1 ZINC000270698312 436674869 /nfs/dbraw/zinc/67/48/69/436674869.db2.gz XLWVQJPFPLMDAS-CABCVRRESA-N 1 1 349.431 0.906 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000120067633 436677966 /nfs/dbraw/zinc/67/79/66/436677966.db2.gz HCEGEHHDCVVYBK-UHFFFAOYSA-N 1 1 340.387 0.452 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000273272381 436741584 /nfs/dbraw/zinc/74/15/84/436741584.db2.gz JVNZDUWCIMUTIN-INIZCTEOSA-N 1 1 347.463 0.830 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)C[C@H](C)O1 ZINC000153334381 436754273 /nfs/dbraw/zinc/75/42/73/436754273.db2.gz VFWTZBMUKSYKSR-TXEJJXNPSA-N 1 1 334.424 0.364 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2sccc2C#N)CC1 ZINC000128076988 436811159 /nfs/dbraw/zinc/81/11/59/436811159.db2.gz BDTYAZWWALNVCI-CYBMUJFWSA-N 1 1 332.429 0.998 20 30 ECEDMO C=CCNC(=O)NC(=O)CN[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249276512 436818004 /nfs/dbraw/zinc/81/80/04/436818004.db2.gz KBSXBWMLAOTSFC-GJZGRUSLSA-N 1 1 340.468 0.725 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCC#N)CCC#N)CC1=O ZINC000246402772 436780199 /nfs/dbraw/zinc/78/01/99/436780199.db2.gz JZLJLALZOAPZLE-HOTGVXAUSA-N 1 1 345.447 0.975 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000155326563 436794027 /nfs/dbraw/zinc/79/40/27/436794027.db2.gz KUZVDAZMGXTXOC-CVEARBPZSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1 ZINC000155326563 436794029 /nfs/dbraw/zinc/79/40/29/436794029.db2.gz KUZVDAZMGXTXOC-CVEARBPZSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1cccnc1N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000247657127 436795976 /nfs/dbraw/zinc/79/59/76/436795976.db2.gz PVFKCGDRAOKJRP-SJORKVTESA-N 1 1 346.431 0.632 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@H]2CO)c(OC)c1 ZINC000274066006 436796040 /nfs/dbraw/zinc/79/60/40/436796040.db2.gz BAVKMHZIQQQFJE-ARFHVFGLSA-N 1 1 337.416 0.591 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@H](C#N)C2)CC1=O ZINC000247609173 436796057 /nfs/dbraw/zinc/79/60/57/436796057.db2.gz MCNNYKWQESLZQX-KFWWJZLASA-N 1 1 334.420 0.070 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)N1CCOCC1 ZINC000155504916 436796670 /nfs/dbraw/zinc/79/66/70/436796670.db2.gz REKSVTDNYIIXRN-AWEZNQCLSA-N 1 1 344.419 0.108 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H]([C@H](C)O)C3)CC2)o1 ZINC000248610789 436805582 /nfs/dbraw/zinc/80/55/82/436805582.db2.gz WEOSITMDZUNGBG-JSGCOSHPSA-N 1 1 347.419 0.206 20 30 ECEDMO C=CCNC(=O)CNC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000252734476 436840014 /nfs/dbraw/zinc/84/00/14/436840014.db2.gz MXPWSXBEXJMCDP-GJZGRUSLSA-N 1 1 340.468 0.725 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)NCCC[NH+]2CCN(C)CC2)c1 ZINC000293149024 436852974 /nfs/dbraw/zinc/85/29/74/436852974.db2.gz RLDXHASSJYJLDJ-UHFFFAOYSA-N 1 1 329.448 0.992 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000159125626 436853851 /nfs/dbraw/zinc/85/38/51/436853851.db2.gz VCFBRMHSZGBKKI-INIZCTEOSA-N 1 1 333.436 0.928 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1F ZINC000293246815 436861005 /nfs/dbraw/zinc/86/10/05/436861005.db2.gz DDIBVSHBWNSTJO-UHFFFAOYSA-N 1 1 349.362 0.622 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000293340503 436867703 /nfs/dbraw/zinc/86/77/03/436867703.db2.gz KAOAYTNTMDVMNU-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000292839060 436831449 /nfs/dbraw/zinc/83/14/49/436831449.db2.gz VNBQNENXONYWEU-UHFFFAOYSA-N 1 1 343.431 0.564 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292923445 436835440 /nfs/dbraw/zinc/83/54/40/436835440.db2.gz IKELAANJSJWGTH-GOEBONIOSA-N 1 1 333.436 0.996 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135423748 436915732 /nfs/dbraw/zinc/91/57/32/436915732.db2.gz LWTXNOFALSBFNJ-UHFFFAOYSA-N 1 1 346.435 0.522 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000293518511 436885084 /nfs/dbraw/zinc/88/50/84/436885084.db2.gz YPZLMNHWIGRYBG-UHFFFAOYSA-N 1 1 344.415 0.398 20 30 ECEDMO CN1CCN(c2ccc(CNC(=[NH2+])NC[C@@H]3CCCO3)cn2)CC1 ZINC000161487381 436891393 /nfs/dbraw/zinc/89/13/93/436891393.db2.gz NEOWUPPAISWYQJ-HNNXBMFYSA-N 1 1 332.452 0.417 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)NCC[N@H+](C)CCCOC ZINC000274948475 436898114 /nfs/dbraw/zinc/89/81/14/436898114.db2.gz OKZLXLKFPSXGEY-UHFFFAOYSA-N 1 1 347.415 0.722 20 30 ECEDMO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295272408 436963035 /nfs/dbraw/zinc/96/30/35/436963035.db2.gz CIMOPWDFFUHNHN-NXHRZFHOSA-N 1 1 331.416 0.703 20 30 ECEDMO CN(CC[N@@H+](C)CCOCCC#N)c1ccc(S(N)(=O)=O)cc1 ZINC000295181767 436963428 /nfs/dbraw/zinc/96/34/28/436963428.db2.gz IEZNXMCGGFGEII-UHFFFAOYSA-N 1 1 340.449 0.632 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295454173 436968934 /nfs/dbraw/zinc/96/89/34/436968934.db2.gz FGFVAWZHGADSTA-MELADBBJSA-N 1 1 344.415 0.668 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295454173 436968937 /nfs/dbraw/zinc/96/89/37/436968937.db2.gz FGFVAWZHGADSTA-MELADBBJSA-N 1 1 344.415 0.668 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295552786 436972089 /nfs/dbraw/zinc/97/20/89/436972089.db2.gz TULMURISPJZHIN-HNNXBMFYSA-N 1 1 347.415 0.909 20 30 ECEDMO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000281302097 436961474 /nfs/dbraw/zinc/96/14/74/436961474.db2.gz YQOIJRQIYDWIIZ-KCPJHIHWSA-N 1 1 341.367 0.931 20 30 ECEDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000281302097 436961477 /nfs/dbraw/zinc/96/14/77/436961477.db2.gz YQOIJRQIYDWIIZ-KCPJHIHWSA-N 1 1 341.367 0.931 20 30 ECEDMO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275813669 437015893 /nfs/dbraw/zinc/01/58/93/437015893.db2.gz OTAIUYUIBIKESG-LBPRGKRZSA-N 1 1 345.403 0.934 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCSC[C@@H]3C)CC2)o1 ZINC000172588973 437021231 /nfs/dbraw/zinc/02/12/31/437021231.db2.gz AEXHJCNLQHIXGG-LBPRGKRZSA-N 1 1 349.460 0.941 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCSC[C@@H]3C)CC2)o1 ZINC000172588973 437021232 /nfs/dbraw/zinc/02/12/32/437021232.db2.gz AEXHJCNLQHIXGG-LBPRGKRZSA-N 1 1 349.460 0.941 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000281698552 436991557 /nfs/dbraw/zinc/99/15/57/436991557.db2.gz BKIQQTGZSNNNFC-CYBMUJFWSA-N 1 1 341.437 0.696 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000296920613 436997683 /nfs/dbraw/zinc/99/76/83/436997683.db2.gz OEPWLYKEZFSTMF-MRXNPFEDSA-N 1 1 346.479 0.952 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000281791954 436998097 /nfs/dbraw/zinc/99/80/97/436998097.db2.gz UPCXRLKEMDRAKN-SFHVURJKSA-N 1 1 342.399 0.902 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000296860281 436998147 /nfs/dbraw/zinc/99/81/47/436998147.db2.gz KLJOSFUZUQMDAK-SJORKVTESA-N 1 1 333.432 0.725 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000296723038 436998679 /nfs/dbraw/zinc/99/86/79/436998679.db2.gz CGSLTVAWBOYDKL-JKSUJKDBSA-N 1 1 342.443 0.932 20 30 ECEDMO Cc1nsc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1C#N ZINC000297299062 437007866 /nfs/dbraw/zinc/00/78/66/437007866.db2.gz BAHHYEVHSLDSBH-UHFFFAOYSA-N 1 1 336.421 0.609 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000173372636 437046365 /nfs/dbraw/zinc/04/63/65/437046365.db2.gz VIVUDMUATJTOJF-UHFFFAOYSA-N 1 1 333.396 0.082 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000264620790 437054673 /nfs/dbraw/zinc/05/46/73/437054673.db2.gz RKYGNQZEUPSXIJ-AWEZNQCLSA-N 1 1 336.417 0.176 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000264620790 437054678 /nfs/dbraw/zinc/05/46/78/437054678.db2.gz RKYGNQZEUPSXIJ-AWEZNQCLSA-N 1 1 336.417 0.176 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000286468236 437091213 /nfs/dbraw/zinc/09/12/13/437091213.db2.gz KLUUNBJXNDEUSB-KGLIPLIRSA-N 1 1 325.478 0.965 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000299649529 437100169 /nfs/dbraw/zinc/10/01/69/437100169.db2.gz XOHXIBWSXXFUMS-UHFFFAOYSA-N 1 1 336.480 0.577 20 30 ECEDMO C[N@H+](CCN1CCOCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000265061905 437103621 /nfs/dbraw/zinc/10/36/21/437103621.db2.gz SSZMHBQECVBYIV-QGZVFWFLSA-N 1 1 328.416 0.928 20 30 ECEDMO C[N@@H+](CCN1CCOCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000265061905 437103625 /nfs/dbraw/zinc/10/36/25/437103625.db2.gz SSZMHBQECVBYIV-QGZVFWFLSA-N 1 1 328.416 0.928 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000265396397 437120515 /nfs/dbraw/zinc/12/05/15/437120515.db2.gz GJWFIGOTLKFNHW-VLUKHXRESA-N 1 1 334.420 0.751 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000178487006 437216450 /nfs/dbraw/zinc/21/64/50/437216450.db2.gz MFXGDNQXRGBSHC-CYBMUJFWSA-N 1 1 344.415 0.890 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000316804572 437189275 /nfs/dbraw/zinc/18/92/75/437189275.db2.gz DEQGKFIOISZVPL-CYBMUJFWSA-N 1 1 342.442 0.499 20 30 ECEDMO C#CCOc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000265961489 437214474 /nfs/dbraw/zinc/21/44/74/437214474.db2.gz QNGLAFRSETVQBM-INIZCTEOSA-N 1 1 329.400 0.768 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266187976 437221870 /nfs/dbraw/zinc/22/18/70/437221870.db2.gz MQXMSOGQESZAPF-NWDGAFQWSA-N 1 1 332.408 0.449 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266187976 437221872 /nfs/dbraw/zinc/22/18/72/437221872.db2.gz MQXMSOGQESZAPF-NWDGAFQWSA-N 1 1 332.408 0.449 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000266696606 437230603 /nfs/dbraw/zinc/23/06/03/437230603.db2.gz WBZATFOMFXWNAU-CYBMUJFWSA-N 1 1 346.387 0.342 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000328828264 437269683 /nfs/dbraw/zinc/26/96/83/437269683.db2.gz IUCVZLLKUGGILI-ZBFHGGJFSA-N 1 1 338.452 0.564 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3COC[C@H](C2)O3)C[C@@H](C)O1 ZINC000328696381 437252459 /nfs/dbraw/zinc/25/24/59/437252459.db2.gz KTPMQHRSHKFUGW-TUVASFSCSA-N 1 1 341.452 0.888 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000328720419 437255692 /nfs/dbraw/zinc/25/56/92/437255692.db2.gz QOHHKMCPFFTPRJ-OAHLLOKOSA-N 1 1 338.452 0.564 20 30 ECEDMO C[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)n1cnc(C#N)n1 ZINC000337013032 437322715 /nfs/dbraw/zinc/32/27/15/437322715.db2.gz IQKKXVNJPPHQAI-ZDUSSCGKSA-N 1 1 333.440 0.101 20 30 ECEDMO C[N@@H+](CCNS(=O)(=O)N1CCO[C@H](C#N)C1)C1CCCCC1 ZINC000336925415 437312414 /nfs/dbraw/zinc/31/24/14/437312414.db2.gz UXEKPAQYVGRUGP-CQSZACIVSA-N 1 1 330.454 0.310 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)c1ccc(C#N)o1 ZINC000288356615 437312904 /nfs/dbraw/zinc/31/29/04/437312904.db2.gz JHHVPKGZUSINQZ-UHFFFAOYSA-N 1 1 328.438 0.655 20 30 ECEDMO CN(CCCN(C)S(=O)(=O)c1ccc(C#N)o1)CC[NH+](C)C ZINC000288356615 437312911 /nfs/dbraw/zinc/31/29/11/437312911.db2.gz JHHVPKGZUSINQZ-UHFFFAOYSA-N 1 1 328.438 0.655 20 30 ECEDMO C[C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)n1cnc(C#N)n1 ZINC000336933861 437314095 /nfs/dbraw/zinc/31/40/95/437314095.db2.gz DKLLPNHFNLYOGK-NSHDSACASA-N 1 1 330.417 0.947 20 30 ECEDMO C[C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)n1cnc(C#N)n1 ZINC000336933861 437314098 /nfs/dbraw/zinc/31/40/98/437314098.db2.gz DKLLPNHFNLYOGK-NSHDSACASA-N 1 1 330.417 0.947 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)CO[C@H](C)COC)c1 ZINC000278127523 437283515 /nfs/dbraw/zinc/28/35/15/437283515.db2.gz VSHZYBIUNDXQHI-RHSMWYFYSA-N 1 1 334.416 0.951 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)CO[C@H](C)COC)c1 ZINC000278127523 437283518 /nfs/dbraw/zinc/28/35/18/437283518.db2.gz VSHZYBIUNDXQHI-RHSMWYFYSA-N 1 1 334.416 0.951 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000288183798 437289464 /nfs/dbraw/zinc/28/94/64/437289464.db2.gz NICKNCKWONPBJW-HNNXBMFYSA-N 1 1 327.388 0.332 20 30 ECEDMO CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000328971137 437293663 /nfs/dbraw/zinc/29/36/63/437293663.db2.gz BLICVVBYJKOVME-MYPMTAMASA-N 1 1 348.451 0.974 20 30 ECEDMO CC(=O)N1CCC[C@](O)(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000328964827 437293954 /nfs/dbraw/zinc/29/39/54/437293954.db2.gz MAKORTYOXXDMGX-NVXWUHKLSA-N 1 1 341.452 0.673 20 30 ECEDMO CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329320357 437352614 /nfs/dbraw/zinc/35/26/14/437352614.db2.gz UBKAEMHPJIBACA-LBPRGKRZSA-N 1 1 330.454 0.104 20 30 ECEDMO C[C@@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)N1CC[NH+](C)CC1 ZINC000329328169 437353655 /nfs/dbraw/zinc/35/36/55/437353655.db2.gz XRDJDGKUGYKUNR-AWEZNQCLSA-N 1 1 344.525 0.422 20 30 ECEDMO CN1CCN(C)[C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000329390081 437362715 /nfs/dbraw/zinc/36/27/15/437362715.db2.gz USYMCQMPSYHJEE-OAHLLOKOSA-N 1 1 325.501 0.999 20 30 ECEDMO Cc1cccc2c(=O)n(CC(=O)NC[C@H]3C[N@H+](C)CCN3C)cnc12 ZINC000329480336 437374161 /nfs/dbraw/zinc/37/41/61/437374161.db2.gz PFXBAGDUQZBTNZ-AWEZNQCLSA-N 1 1 343.431 0.907 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCCNc1cccc(C)[nH+]1 ZINC000337057865 437323958 /nfs/dbraw/zinc/32/39/58/437323958.db2.gz DOANODCPZXBPKA-UHFFFAOYSA-N 1 1 341.437 0.498 20 30 ECEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000337171951 437338296 /nfs/dbraw/zinc/33/82/96/437338296.db2.gz GGKJBYCJGPLNBP-RDBSUJKOSA-N 1 1 330.454 0.166 20 30 ECEDMO C[C@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329711726 437403712 /nfs/dbraw/zinc/40/37/12/437403712.db2.gz OXIDWTGFGCOASY-ZDUSSCGKSA-N 1 1 344.481 0.171 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000338424825 437409075 /nfs/dbraw/zinc/40/90/75/437409075.db2.gz NILGMBWRDOMGGE-UHFFFAOYSA-N 1 1 340.453 0.459 20 30 ECEDMO O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000329773569 437411744 /nfs/dbraw/zinc/41/17/44/437411744.db2.gz LNYMZGCINGFJOI-TUAOUCFPSA-N 1 1 329.422 0.776 20 30 ECEDMO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000329773569 437411746 /nfs/dbraw/zinc/41/17/46/437411746.db2.gz LNYMZGCINGFJOI-TUAOUCFPSA-N 1 1 329.422 0.776 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCN1CCCS1(=O)=O ZINC000329795260 437414874 /nfs/dbraw/zinc/41/48/74/437414874.db2.gz CSDBVGOELJYPSH-DGCLKSJQSA-N 1 1 330.454 0.008 20 30 ECEDMO Cn1nccc1C1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329845305 437420211 /nfs/dbraw/zinc/42/02/11/437420211.db2.gz OOEKPOZFFHEHMH-HNNXBMFYSA-N 1 1 334.468 0.759 20 30 ECEDMO CN1CC[NH+](CC2(C)CCN(C(=O)NCCn3cncn3)CC2)CC1 ZINC000329864220 437422581 /nfs/dbraw/zinc/42/25/81/437422581.db2.gz ZNGYVCAUOSTTPV-UHFFFAOYSA-N 1 1 349.483 0.542 20 30 ECEDMO C[C@](O)(CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)C[NH+]1CCOCC1 ZINC000329514079 437378842 /nfs/dbraw/zinc/37/88/42/437378842.db2.gz LTBHPUCTUOUVNT-NHIYQJMISA-N 1 1 328.409 0.078 20 30 ECEDMO C#CC(C)(C)[N@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000279247145 437386489 /nfs/dbraw/zinc/38/64/89/437386489.db2.gz KTMMZXSJTORIGZ-UHFFFAOYSA-N 1 1 335.429 0.567 20 30 ECEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000279247145 437386492 /nfs/dbraw/zinc/38/64/92/437386492.db2.gz KTMMZXSJTORIGZ-UHFFFAOYSA-N 1 1 335.429 0.567 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329620683 437392471 /nfs/dbraw/zinc/39/24/71/437392471.db2.gz RICPUYMEJDSLQM-CHWSQXEVSA-N 1 1 335.452 0.958 20 30 ECEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329620683 437392472 /nfs/dbraw/zinc/39/24/72/437392472.db2.gz RICPUYMEJDSLQM-CHWSQXEVSA-N 1 1 335.452 0.958 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329620683 437392477 /nfs/dbraw/zinc/39/24/77/437392477.db2.gz RICPUYMEJDSLQM-CHWSQXEVSA-N 1 1 335.452 0.958 20 30 ECEDMO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC(=O)N1C ZINC000330235478 437472716 /nfs/dbraw/zinc/47/27/16/437472716.db2.gz YUAFZPNFQYHPSA-DVOMOZLQSA-N 1 1 349.435 0.596 20 30 ECEDMO Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC(=O)N1C ZINC000330235478 437472721 /nfs/dbraw/zinc/47/27/21/437472721.db2.gz YUAFZPNFQYHPSA-DVOMOZLQSA-N 1 1 349.435 0.596 20 30 ECEDMO CC(C)(C(N)=O)N1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000330322547 437482551 /nfs/dbraw/zinc/48/25/51/437482551.db2.gz SOPAVXWNPLUJIX-UHFFFAOYSA-N 1 1 343.497 0.881 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330318694 437482694 /nfs/dbraw/zinc/48/26/94/437482694.db2.gz CPLODKCNBSOKIV-QWHCGFSZSA-N 1 1 349.439 0.412 20 30 ECEDMO CC[N@@H+]1CCC[C@H]([NH+]=C([O-])N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330318694 437482695 /nfs/dbraw/zinc/48/26/95/437482695.db2.gz CPLODKCNBSOKIV-QWHCGFSZSA-N 1 1 349.439 0.412 20 30 ECEDMO CC[N@H+]1CCC[C@H]([NH+]=C([O-])N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330318694 437482698 /nfs/dbraw/zinc/48/26/98/437482698.db2.gz CPLODKCNBSOKIV-QWHCGFSZSA-N 1 1 349.439 0.412 20 30 ECEDMO C=CCOCC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000339035703 437435335 /nfs/dbraw/zinc/43/53/35/437435335.db2.gz OJDGWQMMOSBSTP-UHFFFAOYSA-N 1 1 328.420 0.983 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000339398868 437463243 /nfs/dbraw/zinc/46/32/43/437463243.db2.gz DVXGWDOUCUCYMP-XUWVNRHRSA-N 1 1 335.448 0.779 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1C#N ZINC000330208231 437468970 /nfs/dbraw/zinc/46/89/70/437468970.db2.gz GPRLHSVGCVOYAB-UHFFFAOYSA-N 1 1 346.416 0.506 20 30 ECEDMO Cc1c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cccc1S(N)(=O)=O ZINC000330428658 437508287 /nfs/dbraw/zinc/50/82/87/437508287.db2.gz KAGPQZYJTKCRSY-LBPRGKRZSA-N 1 1 340.449 0.193 20 30 ECEDMO Cc1c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cccc1S(N)(=O)=O ZINC000330428648 437509097 /nfs/dbraw/zinc/50/90/97/437509097.db2.gz KAGPQZYJTKCRSY-GFCCVEGCSA-N 1 1 340.449 0.193 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330442992 437513031 /nfs/dbraw/zinc/51/30/31/437513031.db2.gz BKADXUSWUHVALN-RYUDHWBXSA-N 1 1 348.469 0.075 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330442992 437513037 /nfs/dbraw/zinc/51/30/37/437513037.db2.gz BKADXUSWUHVALN-RYUDHWBXSA-N 1 1 348.469 0.075 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000330446057 437513501 /nfs/dbraw/zinc/51/35/01/437513501.db2.gz UUNYTDJNRYEXGS-LBPRGKRZSA-N 1 1 340.453 0.315 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000343158351 437520605 /nfs/dbraw/zinc/52/06/05/437520605.db2.gz QNSWEPQDKLNZDU-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000360107240 437521973 /nfs/dbraw/zinc/52/19/73/437521973.db2.gz GRDYAJPDOHURCD-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000330506494 437532968 /nfs/dbraw/zinc/53/29/68/437532968.db2.gz DBXNGISJFQITAQ-LBPRGKRZSA-N 1 1 345.421 0.588 20 30 ECEDMO C[N@@H+]1CC=C(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000290488247 437491666 /nfs/dbraw/zinc/49/16/66/437491666.db2.gz XFWQJRHSRIJVSO-UHFFFAOYSA-N 1 1 348.428 0.215 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](CC)CCC ZINC000360173429 437546474 /nfs/dbraw/zinc/54/64/74/437546474.db2.gz ZDQFCHJAXOASQA-CABCVRRESA-N 1 1 325.453 0.932 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000330558469 437551539 /nfs/dbraw/zinc/55/15/39/437551539.db2.gz ILTHMDTXZLIMTE-GOSISDBHSA-N 1 1 337.464 0.860 20 30 ECEDMO C=C[C@@H](CO)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000291037418 437554725 /nfs/dbraw/zinc/55/47/25/437554725.db2.gz PEHWBUGNPFYBOQ-CABCVRRESA-N 1 1 333.436 0.438 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000330859761 437635666 /nfs/dbraw/zinc/63/56/66/437635666.db2.gz PDJDRUDNBXNNFW-AVGNSLFASA-N 1 1 329.441 0.780 20 30 ECEDMO C=CC[N@@H+](CCOC)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000191081232 437646423 /nfs/dbraw/zinc/64/64/23/437646423.db2.gz OYLWTPGMLFKZTQ-OAHLLOKOSA-N 1 1 333.436 0.648 20 30 ECEDMO C=CC[N@H+](CCOC)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000191081232 437646427 /nfs/dbraw/zinc/64/64/27/437646427.db2.gz OYLWTPGMLFKZTQ-OAHLLOKOSA-N 1 1 333.436 0.648 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000330980515 437664556 /nfs/dbraw/zinc/66/45/56/437664556.db2.gz PMFCLYBSHZJDBR-RDBSUJKOSA-N 1 1 342.440 0.882 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000355066344 437666435 /nfs/dbraw/zinc/66/64/35/437666435.db2.gz OBADYFANFMJXOA-KBPBESRZSA-N 1 1 347.419 0.901 20 30 ECEDMO CN1CCN(C(=O)CC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292371491 437685491 /nfs/dbraw/zinc/68/54/91/437685491.db2.gz YPQXRKNMOBXKNS-MRXNPFEDSA-N 1 1 343.431 0.570 20 30 ECEDMO CC[C@@H](CNC(=O)NCC(=O)NCC#N)[N@H+]1CCc2ccccc2C1 ZINC000344012073 437718011 /nfs/dbraw/zinc/71/80/11/437718011.db2.gz XBNKUWUAKYSIOR-INIZCTEOSA-N 1 1 343.431 0.762 20 30 ECEDMO Cc1nc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)ccc1C#N ZINC000363090352 437769281 /nfs/dbraw/zinc/76/92/81/437769281.db2.gz YDZCCKKZKSCRFK-MRXNPFEDSA-N 1 1 341.415 0.640 20 30 ECEDMO C[N@@H+](CCCN1C(=O)CNC1=O)CCOCc1ccc(C#N)cc1 ZINC000344098148 437730025 /nfs/dbraw/zinc/73/00/25/437730025.db2.gz DIQGJCWFTGOYSA-UHFFFAOYSA-N 1 1 330.388 0.949 20 30 ECEDMO COC[C@@H]1CN(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000331277331 437732568 /nfs/dbraw/zinc/73/25/68/437732568.db2.gz YLIFZLTZRBJIFC-OAGGEKHMSA-N 1 1 342.484 0.662 20 30 ECEDMO Cc1oc(C(=O)NCCC[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000331353923 437744769 /nfs/dbraw/zinc/74/47/69/437744769.db2.gz YVOUPNBYCAQDTE-UHFFFAOYSA-N 1 1 331.394 0.262 20 30 ECEDMO CC(C)Oc1ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc1C#N ZINC000415595676 437827511 /nfs/dbraw/zinc/82/75/11/437827511.db2.gz BEVQFCRDCNZNKD-UHFFFAOYSA-N 1 1 340.330 0.994 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C2CCN(c3ncccn3)CC2)CC1 ZINC000363210986 437776480 /nfs/dbraw/zinc/77/64/80/437776480.db2.gz YVYFNHWWLFVQCW-UHFFFAOYSA-N 1 1 327.432 0.861 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)CC1 ZINC000341134932 437800517 /nfs/dbraw/zinc/80/05/17/437800517.db2.gz YMQSHUZCHBDVCM-BBWFWOEESA-N 1 1 335.496 0.703 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1=O ZINC000363681787 437804908 /nfs/dbraw/zinc/80/49/08/437804908.db2.gz FIOLNGZGTCIHEM-LBPRGKRZSA-N 1 1 348.403 0.096 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363855529 437806713 /nfs/dbraw/zinc/80/67/13/437806713.db2.gz OKXFINZZCLHJLH-CABCVRRESA-N 1 1 328.368 0.746 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)C[C@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348110734 438015063 /nfs/dbraw/zinc/01/50/63/438015063.db2.gz VNJMPZRLQMKIMC-NWDGAFQWSA-N 1 1 325.413 0.627 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348110734 438015067 /nfs/dbraw/zinc/01/50/67/438015067.db2.gz VNJMPZRLQMKIMC-NWDGAFQWSA-N 1 1 325.413 0.627 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000425566880 438027312 /nfs/dbraw/zinc/02/73/12/438027312.db2.gz RJJPBJMYNYPKLQ-HOCLYGCPSA-N 1 1 341.452 0.566 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000342558078 438031525 /nfs/dbraw/zinc/03/15/25/438031525.db2.gz PYGMUAYDPWICJV-ZDUSSCGKSA-N 1 1 338.433 0.088 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000425910647 438048372 /nfs/dbraw/zinc/04/83/72/438048372.db2.gz XBORQZUVZZKEKP-FZKCQIBNSA-N 1 1 335.448 0.636 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426123738 438050094 /nfs/dbraw/zinc/05/00/94/438050094.db2.gz PMYUHHOKDCPSRN-LLVKDONJSA-N 1 1 334.342 0.749 20 30 ECEDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CC(=O)N(CC)CCC#N ZINC000372291007 438063933 /nfs/dbraw/zinc/06/39/33/438063933.db2.gz ZSXSWOJUKUBPKY-ZIAGYGMSSA-N 1 1 325.409 0.791 20 30 ECEDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CC(=O)N(CC)CCC#N ZINC000372291007 438063938 /nfs/dbraw/zinc/06/39/38/438063938.db2.gz ZSXSWOJUKUBPKY-ZIAGYGMSSA-N 1 1 325.409 0.791 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366446528 438073321 /nfs/dbraw/zinc/07/33/21/438073321.db2.gz SYBJTZSRXDGKPV-OLZOCXBDSA-N 1 1 329.356 0.540 20 30 ECEDMO CN1CCC[C@@]2(CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)C1=O ZINC000372900905 438118584 /nfs/dbraw/zinc/11/85/84/438118584.db2.gz DMOYXIRAUIKZOE-KRWDZBQOSA-N 1 1 331.420 0.587 20 30 ECEDMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)nn1-c1cccc(C#N)c1 ZINC000358052300 438131625 /nfs/dbraw/zinc/13/16/25/438131625.db2.gz SUDMPOYUFXLYPN-GOSISDBHSA-N 1 1 339.399 0.849 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000358090238 438149633 /nfs/dbraw/zinc/14/96/33/438149633.db2.gz IIPCESGKXBDSLS-HNNXBMFYSA-N 1 1 336.779 0.333 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCC(=O)N(C)CCC#N)O1 ZINC000367226099 438185287 /nfs/dbraw/zinc/18/52/87/438185287.db2.gz TXWVHCVCNDDFSS-XGUBFFRZSA-N 1 1 337.420 0.932 20 30 ECEDMO N#CC1(CS(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCC1 ZINC000349724641 438172215 /nfs/dbraw/zinc/17/22/15/438172215.db2.gz UJRSFOTZFYFRLV-ZDUSSCGKSA-N 1 1 342.465 0.187 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000374458294 438212127 /nfs/dbraw/zinc/21/21/27/438212127.db2.gz JJYRURZVSBWFQA-DGCLKSJQSA-N 1 1 325.438 0.822 20 30 ECEDMO C=CCNC(=O)c1ccc(NC[C@@](C)(O)C[NH+]2CCOCC2)nc1 ZINC000433387635 438244936 /nfs/dbraw/zinc/24/49/36/438244936.db2.gz RNTWKQDEGRNYKO-QGZVFWFLSA-N 1 1 334.420 0.493 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCOC[C@@H](C)C3)CC2)o1 ZINC000374329750 438201790 /nfs/dbraw/zinc/20/17/90/438201790.db2.gz GIUFCQTUFNRLKK-ZDUSSCGKSA-N 1 1 347.419 0.472 20 30 ECEDMO Cc1oc(C#N)cc1C(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000376051401 438270912 /nfs/dbraw/zinc/27/09/12/438270912.db2.gz WJIBPYHGQRHMTF-UHFFFAOYSA-N 1 1 346.431 0.940 20 30 ECEDMO C#CCCCS(=O)(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376353878 438279646 /nfs/dbraw/zinc/27/96/46/438279646.db2.gz RTXRLBDPGATNKZ-CVEARBPZSA-N 1 1 327.494 0.687 20 30 ECEDMO C#CCCCS(=O)(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000376398348 438282129 /nfs/dbraw/zinc/28/21/29/438282129.db2.gz WSAXHIOTTSGPMD-SJORKVTESA-N 1 1 336.457 0.955 20 30 ECEDMO C#CCCCS(=O)(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000376398348 438282132 /nfs/dbraw/zinc/28/21/32/438282132.db2.gz WSAXHIOTTSGPMD-SJORKVTESA-N 1 1 336.457 0.955 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000367793085 438250984 /nfs/dbraw/zinc/25/09/84/438250984.db2.gz PIXHXDNGMALEGB-UONOGXRCSA-N 1 1 329.466 0.713 20 30 ECEDMO COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000367818573 438253947 /nfs/dbraw/zinc/25/39/47/438253947.db2.gz IHMNFMBOUKSLLX-RHSMWYFYSA-N 1 1 332.404 0.917 20 30 ECEDMO C[N@@H+](CC(=O)NC1(C#N)CCC1)C1CCN(c2ncccn2)CC1 ZINC000377015897 438298931 /nfs/dbraw/zinc/29/89/31/438298931.db2.gz UAQHJUBCOYGHMR-UHFFFAOYSA-N 1 1 328.420 0.940 20 30 ECEDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 ZINC000377019510 438300416 /nfs/dbraw/zinc/30/04/16/438300416.db2.gz LIMWAKQNTYSXTM-ZDUSSCGKSA-N 1 1 332.408 0.993 20 30 ECEDMO Cn1cc([C@@H](CO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000358793719 438301565 /nfs/dbraw/zinc/30/15/65/438301565.db2.gz RCSUTGILKXSSCG-OAHLLOKOSA-N 1 1 334.401 0.389 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000377239852 438305193 /nfs/dbraw/zinc/30/51/93/438305193.db2.gz DOHMBMNJILJCPO-KRWDZBQOSA-N 1 1 348.447 0.601 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000377239852 438305197 /nfs/dbraw/zinc/30/51/97/438305197.db2.gz DOHMBMNJILJCPO-KRWDZBQOSA-N 1 1 348.447 0.601 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2n[nH]c(C)c2C#N)CC1=O ZINC000377244778 438306329 /nfs/dbraw/zinc/30/63/29/438306329.db2.gz VRRQPEXPRHUIRW-OLZOCXBDSA-N 1 1 344.419 0.861 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NCC[N@H+](CC)CCC)CC1 ZINC000352032009 438372254 /nfs/dbraw/zinc/37/22/54/438372254.db2.gz ISWAOUBVAMQKGL-UHFFFAOYSA-N 1 1 339.484 0.348 20 30 ECEDMO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000420408310 438407291 /nfs/dbraw/zinc/40/72/91/438407291.db2.gz VQHNUUFMDRGMNI-UHFFFAOYSA-N 1 1 330.207 0.915 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000378600842 438407308 /nfs/dbraw/zinc/40/73/08/438407308.db2.gz QTUFJDSQDFINNZ-UHFFFAOYSA-N 1 1 336.480 0.649 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000378602188 438408299 /nfs/dbraw/zinc/40/82/99/438408299.db2.gz WQFXBYLHUZFPHK-GOSISDBHSA-N 1 1 349.479 0.279 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000405313886 438467385 /nfs/dbraw/zinc/46/73/85/438467385.db2.gz QEQWSZGMNJQOBP-NWDGAFQWSA-N 1 1 341.820 0.651 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000405313886 438467388 /nfs/dbraw/zinc/46/73/88/438467388.db2.gz QEQWSZGMNJQOBP-NWDGAFQWSA-N 1 1 341.820 0.651 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)c1 ZINC000407951629 438470927 /nfs/dbraw/zinc/47/09/27/438470927.db2.gz CNSVWXYOQFICMX-AWEZNQCLSA-N 1 1 337.449 0.848 20 30 ECEDMO Cc1nnc(N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c(C#N)c1C ZINC000369346644 438457531 /nfs/dbraw/zinc/45/75/31/438457531.db2.gz NOTZTVFLBXUDGR-HNNXBMFYSA-N 1 1 330.436 0.784 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369359604 438460696 /nfs/dbraw/zinc/46/06/96/438460696.db2.gz RVMQCAKNCWQDOM-CABCVRRESA-N 1 1 337.468 0.099 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000370091311 438549768 /nfs/dbraw/zinc/54/97/68/438549768.db2.gz BFBQEBYKBFKGDU-GVDBMIGSSA-N 1 1 337.464 0.490 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)C1=O ZINC000370316778 438569894 /nfs/dbraw/zinc/56/98/94/438569894.db2.gz SZZZRHIDJXPVIW-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)C1=O ZINC000370316778 438569898 /nfs/dbraw/zinc/56/98/98/438569898.db2.gz SZZZRHIDJXPVIW-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000440950036 438571929 /nfs/dbraw/zinc/57/19/29/438571929.db2.gz AKYOFRFSSGFBOU-OCCSQVGLSA-N 1 1 346.435 1.215 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452355468 438654099 /nfs/dbraw/zinc/65/40/99/438654099.db2.gz XTYIKNKLJBJDOT-HNNXBMFYSA-N 1 1 347.415 0.909 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000410845332 438664173 /nfs/dbraw/zinc/66/41/73/438664173.db2.gz WHXVCWLIVWYITP-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000410845332 438664176 /nfs/dbraw/zinc/66/41/76/438664176.db2.gz WHXVCWLIVWYITP-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000412074532 438686134 /nfs/dbraw/zinc/68/61/34/438686134.db2.gz LTIWFBOVHBOCOV-NWDGAFQWSA-N 1 1 325.434 0.775 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000412074532 438686137 /nfs/dbraw/zinc/68/61/37/438686137.db2.gz LTIWFBOVHBOCOV-NWDGAFQWSA-N 1 1 325.434 0.775 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)C1 ZINC000448924519 438686285 /nfs/dbraw/zinc/68/62/85/438686285.db2.gz ZNYLXAONVJPNDJ-JFIYKMOQSA-N 1 1 334.464 0.790 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)CCCC1 ZINC000451672454 438706546 /nfs/dbraw/zinc/70/65/46/438706546.db2.gz SNALSKAILCHMKB-CQSZACIVSA-N 1 1 329.466 0.837 20 30 ECEDMO C=CCOc1ccc(CC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000450026510 438688562 /nfs/dbraw/zinc/68/85/62/438688562.db2.gz JHBPVPXCAYZYFI-IBGZPJMESA-N 1 1 348.443 0.993 20 30 ECEDMO CCOC(=O)[C@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)CC12COC2 ZINC000451138209 438696127 /nfs/dbraw/zinc/69/61/27/438696127.db2.gz QFCBGUHNJINWPE-ZIAGYGMSSA-N 1 1 337.420 0.506 20 30 ECEDMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)CC12COC2 ZINC000451138209 438696131 /nfs/dbraw/zinc/69/61/31/438696131.db2.gz QFCBGUHNJINWPE-ZIAGYGMSSA-N 1 1 337.420 0.506 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)nn1 ZINC001041729918 782071007 /nfs/dbraw/zinc/07/10/07/782071007.db2.gz XOFPCMSJGQMGCO-KRWDZBQOSA-N 1 1 346.435 0.090 20 30 ECEDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@@H](C)C1 ZINC000554128522 438760351 /nfs/dbraw/zinc/76/03/51/438760351.db2.gz MJKNYHFWLZVRHX-OFQRWUPVSA-N 1 1 327.432 1.554 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCC[C@H]3O)CC2)o1 ZINC000556828934 438791427 /nfs/dbraw/zinc/79/14/27/438791427.db2.gz FFUWSDOUXVYUKS-HUUCEWRRSA-N 1 1 347.419 0.349 20 30 ECEDMO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ncc1C#N ZINC000457537755 438809591 /nfs/dbraw/zinc/80/95/91/438809591.db2.gz SCZZESLLJPUNHF-MRXNPFEDSA-N 1 1 343.431 0.934 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCCCCN1CC[NH+](C)CC1 ZINC000558565032 438814519 /nfs/dbraw/zinc/81/45/19/438814519.db2.gz RXYUTFJHSRRWII-OAHLLOKOSA-N 1 1 345.513 0.330 20 30 ECEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588127793 438820482 /nfs/dbraw/zinc/82/04/82/438820482.db2.gz QXUBZJQYDIMZPM-OAHLLOKOSA-N 1 1 349.479 0.327 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000577198844 438823921 /nfs/dbraw/zinc/82/39/21/438823921.db2.gz BDHZFGNSCTVLIA-CQSZACIVSA-N 1 1 344.415 0.606 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2nc(C)cc(C#N)n2)CC1=O ZINC000601178057 438828115 /nfs/dbraw/zinc/82/81/15/438828115.db2.gz JSQYJWZIZGIYAR-AWEZNQCLSA-N 1 1 332.408 0.248 20 30 ECEDMO N#CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000595623126 438836961 /nfs/dbraw/zinc/83/69/61/438836961.db2.gz IGKSETUZWFTQQV-HNNXBMFYSA-N 1 1 328.420 0.751 20 30 ECEDMO N#CC[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000595623126 438836967 /nfs/dbraw/zinc/83/69/67/438836967.db2.gz IGKSETUZWFTQQV-HNNXBMFYSA-N 1 1 328.420 0.751 20 30 ECEDMO C[NH+](C)C1(CS(=O)(=O)N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000601296056 438842249 /nfs/dbraw/zinc/84/22/49/438842249.db2.gz NVMFQTDCZPAOET-UHFFFAOYSA-N 1 1 349.460 0.499 20 30 ECEDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccccc1CC#N ZINC000601343412 438854190 /nfs/dbraw/zinc/85/41/90/438854190.db2.gz ORMGIFOQDGUCTO-ZDUSSCGKSA-N 1 1 337.401 0.278 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCOc3cccc(C#N)c3)C[C@H]21 ZINC000595786935 438860903 /nfs/dbraw/zinc/86/09/03/438860903.db2.gz CVHNRFYROIMZCU-XHSDSOJGSA-N 1 1 336.413 0.681 20 30 ECEDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCOc3cccc(C#N)c3)C[C@H]21 ZINC000595786935 438860911 /nfs/dbraw/zinc/86/09/11/438860911.db2.gz CVHNRFYROIMZCU-XHSDSOJGSA-N 1 1 336.413 0.681 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563419448 438864044 /nfs/dbraw/zinc/86/40/44/438864044.db2.gz VVAGYDSPSHXZJF-HNNXBMFYSA-N 1 1 344.481 0.653 20 30 ECEDMO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000595829707 438867817 /nfs/dbraw/zinc/86/78/17/438867817.db2.gz XOMCDXVFOKZLTL-INIZCTEOSA-N 1 1 343.431 0.862 20 30 ECEDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000595829707 438867823 /nfs/dbraw/zinc/86/78/23/438867823.db2.gz XOMCDXVFOKZLTL-INIZCTEOSA-N 1 1 343.431 0.862 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595825209 438868077 /nfs/dbraw/zinc/86/80/77/438868077.db2.gz CVWWYNZXSHCOGG-NWDGAFQWSA-N 1 1 325.413 0.074 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595825209 438868081 /nfs/dbraw/zinc/86/80/81/438868081.db2.gz CVWWYNZXSHCOGG-NWDGAFQWSA-N 1 1 325.413 0.074 20 30 ECEDMO CN(CCC#N)C[C@@H](O)CNCC1([NH+](C)C)Cc2ccccc2C1 ZINC000564855041 438879054 /nfs/dbraw/zinc/87/90/54/438879054.db2.gz VPJORNCUEIOYJF-SFHVURJKSA-N 1 1 330.476 0.882 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2(C#N)CC3(CC3)C2)CC1=O ZINC000601581478 438936332 /nfs/dbraw/zinc/93/63/32/438936332.db2.gz HWCAHIHGTSYQHD-CQSZACIVSA-N 1 1 348.447 0.366 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2ccc(C#N)cc2=O)C1 ZINC000596329509 438956169 /nfs/dbraw/zinc/95/61/69/438956169.db2.gz MQEBIHGTIPNDFV-HNNXBMFYSA-N 1 1 332.404 0.193 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000591059853 438980713 /nfs/dbraw/zinc/98/07/13/438980713.db2.gz PVUXWKBZHYRNDK-ABAIWWIYSA-N 1 1 325.434 0.633 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000591059853 438980720 /nfs/dbraw/zinc/98/07/20/438980720.db2.gz PVUXWKBZHYRNDK-ABAIWWIYSA-N 1 1 325.434 0.633 20 30 ECEDMO N#Cc1ccc(NCCCN2CCN(c3cc[nH+]cc3)CC2)nc1N ZINC000579140492 438986487 /nfs/dbraw/zinc/98/64/87/438986487.db2.gz FZAIRVSIXCOEIO-UHFFFAOYSA-N 1 1 337.431 1.555 20 30 ECEDMO C[NH+]1CCN([C@@H](CNS(=O)(=O)CCC#N)c2cccs2)CC1 ZINC000565933395 438990655 /nfs/dbraw/zinc/99/06/55/438990655.db2.gz RGEYONDPRXNLAG-ZDUSSCGKSA-N 1 1 342.490 0.870 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CCN(CCC#N)CC2)cn2cc[nH+]c12 ZINC000602079635 439008076 /nfs/dbraw/zinc/00/80/76/439008076.db2.gz FRUSRBYWXGWPDS-UHFFFAOYSA-N 1 1 340.387 0.639 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597206740 439058295 /nfs/dbraw/zinc/05/82/95/439058295.db2.gz UZSIXESDCRDEQY-UHFFFAOYSA-N 1 1 338.452 0.661 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000602119974 439014550 /nfs/dbraw/zinc/01/45/50/439014550.db2.gz PYCKUMNCYCGQBU-UONOGXRCSA-N 1 1 328.420 0.727 20 30 ECEDMO C=C(C)[C@H](CO)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591477980 439018209 /nfs/dbraw/zinc/01/82/09/439018209.db2.gz UUUHCMIXJTUJPQ-AWEZNQCLSA-N 1 1 343.405 0.742 20 30 ECEDMO C=C(C)[C@H](CO)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591477980 439018213 /nfs/dbraw/zinc/01/82/13/439018213.db2.gz UUUHCMIXJTUJPQ-AWEZNQCLSA-N 1 1 343.405 0.742 20 30 ECEDMO C=CCN(C)C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000459906009 439030645 /nfs/dbraw/zinc/03/06/45/439030645.db2.gz IJGUOAQWPORLHZ-IYBDPMFKSA-N 1 1 336.480 0.648 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597400320 439093097 /nfs/dbraw/zinc/09/30/97/439093097.db2.gz XLFXCBLYHGRFFM-OAHLLOKOSA-N 1 1 348.447 0.462 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCC1(C#N)CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000597317679 439076612 /nfs/dbraw/zinc/07/66/12/439076612.db2.gz HAHFBIIMPPDWQJ-KGLIPLIRSA-N 1 1 336.436 0.412 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCC1(C#N)CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000597317679 439076615 /nfs/dbraw/zinc/07/66/15/439076615.db2.gz HAHFBIIMPPDWQJ-KGLIPLIRSA-N 1 1 336.436 0.412 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592150568 439166744 /nfs/dbraw/zinc/16/67/44/439166744.db2.gz GVCUUUZJTZZHCF-CPUCHLNUSA-N 1 1 337.420 0.527 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592150568 439166749 /nfs/dbraw/zinc/16/67/49/439166749.db2.gz GVCUUUZJTZZHCF-CPUCHLNUSA-N 1 1 337.420 0.527 20 30 ECEDMO C=C(C)C[C@@H](NCc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)OC ZINC000602735583 439128678 /nfs/dbraw/zinc/12/86/78/439128678.db2.gz XXJPJEWHIPYCJM-OAHLLOKOSA-N 1 1 333.436 0.826 20 30 ECEDMO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000597625571 439142024 /nfs/dbraw/zinc/14/20/24/439142024.db2.gz PJPRODITLMVKDD-ZBFHGGJFSA-N 1 1 328.416 0.832 20 30 ECEDMO C[N@@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](CO)C1 ZINC000602906937 439157291 /nfs/dbraw/zinc/15/72/91/439157291.db2.gz VICQYQGLLRTCET-DLBZAZTESA-N 1 1 328.416 0.662 20 30 ECEDMO C[N@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](CO)C1 ZINC000602906937 439157296 /nfs/dbraw/zinc/15/72/96/439157296.db2.gz VICQYQGLLRTCET-DLBZAZTESA-N 1 1 328.416 0.662 20 30 ECEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592147317 439164907 /nfs/dbraw/zinc/16/49/07/439164907.db2.gz NXPPSEZXWRVFGX-DOTOQJQBSA-N 1 1 333.388 0.735 20 30 ECEDMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592145163 439165231 /nfs/dbraw/zinc/16/52/31/439165231.db2.gz MIQJWHYUENKAOV-RHSMWYFYSA-N 1 1 334.372 0.563 20 30 ECEDMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592145164 439165271 /nfs/dbraw/zinc/16/52/71/439165271.db2.gz MIQJWHYUENKAOV-WMLDXEAASA-N 1 1 334.372 0.563 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)Cn1cc(COc2cccc(C#N)c2)nn1 ZINC000603258183 439220808 /nfs/dbraw/zinc/22/08/08/439220808.db2.gz GCZNRMHGZDEZRZ-MRXNPFEDSA-N 1 1 345.403 0.668 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000592193217 439174614 /nfs/dbraw/zinc/17/46/14/439174614.db2.gz DOBYHRZVCFDHQW-HIFRSBDPSA-N 1 1 331.372 0.743 20 30 ECEDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000592197929 439177720 /nfs/dbraw/zinc/17/77/20/439177720.db2.gz QAPXLFATLASJDG-DZGCQCFKSA-N 1 1 331.372 0.743 20 30 ECEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989235 439178982 /nfs/dbraw/zinc/17/89/82/439178982.db2.gz IMXYKAPROOARCI-QGZVFWFLSA-N 1 1 344.415 0.478 20 30 ECEDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000592200547 439179878 /nfs/dbraw/zinc/17/98/78/439179878.db2.gz SXSIFEICAXADGJ-UONOGXRCSA-N 1 1 334.372 0.801 20 30 ECEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Cn2cnc(C#N)n2)C1 ZINC000598193540 439237772 /nfs/dbraw/zinc/23/77/72/439237772.db2.gz BQVXTBPQHPUIJI-MRXNPFEDSA-N 1 1 338.415 0.925 20 30 ECEDMO N#CC1(NC(=O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)CCC1 ZINC000527128211 439255011 /nfs/dbraw/zinc/25/50/11/439255011.db2.gz ROQPDJHABSJHJJ-UHFFFAOYSA-N 1 1 347.463 0.179 20 30 ECEDMO N#CC1(NC(=O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CCC1 ZINC000527128211 439255016 /nfs/dbraw/zinc/25/50/16/439255016.db2.gz ROQPDJHABSJHJJ-UHFFFAOYSA-N 1 1 347.463 0.179 20 30 ECEDMO COCC[N@H+](C)CCNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000568625359 439261296 /nfs/dbraw/zinc/26/12/96/439261296.db2.gz ZAPZEGOQODTZHN-UHFFFAOYSA-N 1 1 325.434 0.750 20 30 ECEDMO COCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000568625359 439261300 /nfs/dbraw/zinc/26/13/00/439261300.db2.gz ZAPZEGOQODTZHN-UHFFFAOYSA-N 1 1 325.434 0.750 20 30 ECEDMO COCCNC(=O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000603445459 439262016 /nfs/dbraw/zinc/26/20/16/439262016.db2.gz NLZMQDJGFSXYHT-KRWDZBQOSA-N 1 1 338.452 0.515 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)OCC)CC1 ZINC000491066281 439326322 /nfs/dbraw/zinc/32/63/22/439326322.db2.gz VPAVPZSDBBIPEZ-LBPRGKRZSA-N 1 1 340.424 0.939 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000491066318 439326684 /nfs/dbraw/zinc/32/66/84/439326684.db2.gz BTMVMHQMQLSTDQ-UHFFFAOYSA-N 1 1 328.416 0.750 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000598597209 439285142 /nfs/dbraw/zinc/28/51/42/439285142.db2.gz POLNYIJJVIHXBX-AWEZNQCLSA-N 1 1 332.404 0.846 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000490680222 439286849 /nfs/dbraw/zinc/28/68/49/439286849.db2.gz YWFDMTKSNPKVOT-UKRRQHHQSA-N 1 1 349.456 0.811 20 30 ECEDMO CN1CCN(C(C)(C)C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000603893156 439290777 /nfs/dbraw/zinc/29/07/77/439290777.db2.gz MWTTYHMSJOVOSG-UHFFFAOYSA-N 1 1 327.436 0.717 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCCCC)C2)CC1 ZINC000490841200 439302053 /nfs/dbraw/zinc/30/20/53/439302053.db2.gz SJJZRGXKKOINLF-KRWDZBQOSA-N 1 1 348.491 0.392 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)CCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528514861 439343680 /nfs/dbraw/zinc/34/36/80/439343680.db2.gz BKERISZOEFGMJF-HNNXBMFYSA-N 1 1 341.411 0.284 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@@H](O)COc1ccccc1C#N ZINC000528524951 439344847 /nfs/dbraw/zinc/34/48/47/439344847.db2.gz SBJJVJMHAMHCLS-BFYDXBDKSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)[C@H](C)CN1CCO ZINC000528524951 439344852 /nfs/dbraw/zinc/34/48/52/439344852.db2.gz SBJJVJMHAMHCLS-BFYDXBDKSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)[C@H](C)CN1CCO ZINC000528524951 439344854 /nfs/dbraw/zinc/34/48/54/439344854.db2.gz SBJJVJMHAMHCLS-BFYDXBDKSA-N 1 1 333.432 0.685 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000491200985 439349037 /nfs/dbraw/zinc/34/90/37/439349037.db2.gz DTUNQHBBVAKWDP-GFCCVEGCSA-N 1 1 333.354 0.907 20 30 ECEDMO C#CCNC(=O)CCN1CCC[C@@H]([N@H+](C)CCC(=O)NCC#C)CC1 ZINC000491425578 439380432 /nfs/dbraw/zinc/38/04/32/439380432.db2.gz ATLGTNZLVUEMGL-QGZVFWFLSA-N 1 1 346.475 0.052 20 30 ECEDMO C#CCNC(=O)CCN1CCC[C@@H]([N@@H+](C)CCC(=O)NCC#C)CC1 ZINC000491425578 439380436 /nfs/dbraw/zinc/38/04/36/439380436.db2.gz ATLGTNZLVUEMGL-QGZVFWFLSA-N 1 1 346.475 0.052 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000491405842 439377505 /nfs/dbraw/zinc/37/75/05/439377505.db2.gz KYNIMHWQAGGROH-UHFFFAOYSA-N 1 1 349.456 0.771 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000491494231 439393557 /nfs/dbraw/zinc/39/35/57/439393557.db2.gz BLJRBTOLEPBRGJ-CJNGLKHVSA-N 1 1 331.420 0.011 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000491617428 439412882 /nfs/dbraw/zinc/41/28/82/439412882.db2.gz BBNCPXZTBBMOBH-UHFFFAOYSA-N 1 1 331.416 0.924 20 30 ECEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000491626955 439413570 /nfs/dbraw/zinc/41/35/70/439413570.db2.gz JHTQSTSVYUVSHY-GFCCVEGCSA-N 1 1 349.435 0.638 20 30 ECEDMO C#C[C@@H](C)[N@H+](C)CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000491626955 439413575 /nfs/dbraw/zinc/41/35/75/439413575.db2.gz JHTQSTSVYUVSHY-GFCCVEGCSA-N 1 1 349.435 0.638 20 30 ECEDMO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000583079521 439418076 /nfs/dbraw/zinc/41/80/76/439418076.db2.gz XVEFSQFXTDNVBI-QGZVFWFLSA-N 1 1 346.479 0.129 20 30 ECEDMO CNc1cc2c(nn1)CC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C2 ZINC000599287301 439419050 /nfs/dbraw/zinc/41/90/50/439419050.db2.gz KYBQXTUCWWKIPM-CQSZACIVSA-N 1 1 331.420 0.948 20 30 ECEDMO CNc1cc2c(nn1)CC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C2 ZINC000599287301 439419055 /nfs/dbraw/zinc/41/90/55/439419055.db2.gz KYBQXTUCWWKIPM-CQSZACIVSA-N 1 1 331.420 0.948 20 30 ECEDMO C#CCNC(=O)CC[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000491644712 439419870 /nfs/dbraw/zinc/41/98/70/439419870.db2.gz LBHWVUVVIGGZDA-UHFFFAOYSA-N 1 1 336.480 0.342 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000491682292 439426604 /nfs/dbraw/zinc/42/66/04/439426604.db2.gz RGGWDJSYFODMDF-KBPBESRZSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000491682292 439426607 /nfs/dbraw/zinc/42/66/07/439426607.db2.gz RGGWDJSYFODMDF-KBPBESRZSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CCNC(=O)CC[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000491764045 439444793 /nfs/dbraw/zinc/44/47/93/439444793.db2.gz BOUIITRXGSCMPJ-UHFFFAOYSA-N 1 1 328.460 0.533 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000491774401 439446757 /nfs/dbraw/zinc/44/67/57/439446757.db2.gz WDZQVYQWLMQMSJ-CQSZACIVSA-N 1 1 325.409 0.163 20 30 ECEDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000570791519 439450907 /nfs/dbraw/zinc/45/09/07/439450907.db2.gz NTHVYWSFRRDMCJ-CQSZACIVSA-N 1 1 346.435 0.986 20 30 ECEDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000570791519 439450911 /nfs/dbraw/zinc/45/09/11/439450911.db2.gz NTHVYWSFRRDMCJ-CQSZACIVSA-N 1 1 346.435 0.986 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3nccnn3)CC2)cc1 ZINC000599510262 439496190 /nfs/dbraw/zinc/49/61/90/439496190.db2.gz VMXVWQWHKPLKSB-OAHLLOKOSA-N 1 1 340.387 0.305 20 30 ECEDMO N#CCN1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530578272 439500104 /nfs/dbraw/zinc/50/01/04/439500104.db2.gz SFINDXZBLBYDHE-GOSISDBHSA-N 1 1 328.416 0.291 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000599558312 439504890 /nfs/dbraw/zinc/50/48/90/439504890.db2.gz HWJPRWAWEMJMSJ-CRAIPNDOSA-N 1 1 348.399 0.756 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000599564252 439507211 /nfs/dbraw/zinc/50/72/11/439507211.db2.gz REQODHBUIHMRJO-QGZVFWFLSA-N 1 1 331.372 0.438 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000599564252 439507213 /nfs/dbraw/zinc/50/72/13/439507213.db2.gz REQODHBUIHMRJO-QGZVFWFLSA-N 1 1 331.372 0.438 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)CC1 ZINC000491814875 439458834 /nfs/dbraw/zinc/45/88/34/439458834.db2.gz DPVXJVSMQRAAHU-BQFCYCMXSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)CC1 ZINC000491814875 439458840 /nfs/dbraw/zinc/45/88/40/439458840.db2.gz DPVXJVSMQRAAHU-BQFCYCMXSA-N 1 1 335.448 0.032 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000540349654 439548200 /nfs/dbraw/zinc/54/82/00/439548200.db2.gz FGYTZOBNBHNIEJ-QZTJIDSGSA-N 1 1 347.507 0.847 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000599940216 439581228 /nfs/dbraw/zinc/58/12/28/439581228.db2.gz MXEOUZNKTMVGKT-DOTOQJQBSA-N 1 1 328.416 0.905 20 30 ECEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000585777628 439649317 /nfs/dbraw/zinc/64/93/17/439649317.db2.gz FJTPHEVTJWQIML-HUUCEWRRSA-N 1 1 349.479 0.327 20 30 ECEDMO CCN(C(=O)C(=O)Nc1cc(C)n(CCC#N)n1)[C@@H]1CC[N@@H+](CC)C1 ZINC000595131461 439658452 /nfs/dbraw/zinc/65/84/52/439658452.db2.gz LNPGHAVDPJFSHV-CQSZACIVSA-N 1 1 346.435 0.986 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]2C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000600808282 439704057 /nfs/dbraw/zinc/70/40/57/439704057.db2.gz KMBNAZKLPNHADH-IRXDYDNUSA-N 1 1 328.416 0.710 20 30 ECEDMO Cc1onc(CC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1C#N ZINC000611528518 439704275 /nfs/dbraw/zinc/70/42/75/439704275.db2.gz NLKBVYFRDXXQBG-AWEZNQCLSA-N 1 1 331.420 0.636 20 30 ECEDMO N#Cc1cccc(N2CC[NH+](C[C@@H](O)CC3(O)CCOCC3)CC2)n1 ZINC000600847214 439709968 /nfs/dbraw/zinc/70/99/68/439709968.db2.gz XNIVTNZVOAZHCV-INIZCTEOSA-N 1 1 346.431 0.368 20 30 ECEDMO C[C@@](O)(C[C@H](O)C[NH+]1CCN(c2cnccc2C#N)CC1)C1CC1 ZINC000600847297 439710069 /nfs/dbraw/zinc/71/00/69/439710069.db2.gz YZFXTOHYTWJLHS-FUHWJXTLSA-N 1 1 330.432 0.987 20 30 ECEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1CS(=O)(=O)C1 ZINC000601019537 439723094 /nfs/dbraw/zinc/72/30/94/439723094.db2.gz KNDGBCTYXQJDQF-UHFFFAOYSA-N 1 1 335.429 0.493 20 30 ECEDMO N#Cc1ccc(CC[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000595287135 439691194 /nfs/dbraw/zinc/69/11/94/439691194.db2.gz BMFIZEXWOGVQQT-UHFFFAOYSA-N 1 1 342.443 0.577 20 30 ECEDMO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1C#N)CN1CCN(C)CC1 ZINC000600729097 439695960 /nfs/dbraw/zinc/69/59/60/439695960.db2.gz WSUOYXLVJJYGFQ-FUHWJXTLSA-N 1 1 346.475 0.771 20 30 ECEDMO N#CCCn1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000614289201 439773483 /nfs/dbraw/zinc/77/34/83/439773483.db2.gz LELXRBONYAXZCX-AWEZNQCLSA-N 1 1 332.408 0.983 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000612659137 439734423 /nfs/dbraw/zinc/73/44/23/439734423.db2.gz PELRLWPTTNAOEN-CVEARBPZSA-N 1 1 325.453 0.810 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@](F)(C#N)C1 ZINC000615546789 439802360 /nfs/dbraw/zinc/80/23/60/439802360.db2.gz RRKRDZNACZDOES-CJNGLKHVSA-N 1 1 339.415 0.576 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641670386 439888907 /nfs/dbraw/zinc/88/89/07/439888907.db2.gz PHSNVZYEILYEHY-BBWFWOEESA-N 1 1 337.464 0.490 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000658529629 439979115 /nfs/dbraw/zinc/97/91/15/439979115.db2.gz DOELZFDLOXTYKC-OAHLLOKOSA-N 1 1 337.464 0.716 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N([C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1=O ZINC000663323948 440056759 /nfs/dbraw/zinc/05/67/59/440056759.db2.gz LJRPHLRZWNTSPY-RBSFLKMASA-N 1 1 349.431 0.753 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC1CCN(CC#N)CC1 ZINC000618812227 440162305 /nfs/dbraw/zinc/16/23/05/440162305.db2.gz OUTYAYOEABFQKE-OAHLLOKOSA-N 1 1 349.479 0.869 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659705979 440441023 /nfs/dbraw/zinc/44/10/23/440441023.db2.gz BCOHAGSKGWQHTK-ZIAGYGMSSA-N 1 1 326.416 0.041 20 30 ECEDMO C=CCn1cc(CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)nn1 ZINC000638363200 440522256 /nfs/dbraw/zinc/52/22/56/440522256.db2.gz PTJUBBCFPNCUAY-MRXNPFEDSA-N 1 1 328.420 0.540 20 30 ECEDMO C=CCn1cc(CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)nn1 ZINC000638363200 440522260 /nfs/dbraw/zinc/52/22/60/440522260.db2.gz PTJUBBCFPNCUAY-MRXNPFEDSA-N 1 1 328.420 0.540 20 30 ECEDMO C=CCOCCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660865863 440748023 /nfs/dbraw/zinc/74/80/23/440748023.db2.gz UZLVEYSFPOULLK-MRXNPFEDSA-N 1 1 340.468 0.285 20 30 ECEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000661378706 440842297 /nfs/dbraw/zinc/84/22/97/440842297.db2.gz KUCHGQOGXRPHTH-INIZCTEOSA-N 1 1 336.480 0.507 20 30 ECEDMO C=CC[C@]1(C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)CCC[NH2+]1 ZINC000662401737 441030496 /nfs/dbraw/zinc/03/04/96/441030496.db2.gz QYLNIWYAVGZWES-CRAIPNDOSA-N 1 1 334.464 0.355 20 30 ECEDMO C[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)CN1CCN(C)CC1 ZINC000557169217 322205365 /nfs/dbraw/zinc/20/53/65/322205365.db2.gz DRPFIFZSOLNHCL-AWEZNQCLSA-N 1 1 327.436 0.574 20 30 ECEDMO CN1CC[NH+](CCCCNS(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000562462249 322275554 /nfs/dbraw/zinc/27/55/54/322275554.db2.gz ZSQZIVRDSJEVQA-UHFFFAOYSA-N 1 1 342.490 0.926 20 30 ECEDMO CN1C(=O)NCC12CC[NH+](CC(=O)NCc1cccc(C#N)c1)CC2 ZINC000570712189 322697502 /nfs/dbraw/zinc/69/75/02/322697502.db2.gz LPQNXKWUMBPEKF-UHFFFAOYSA-N 1 1 341.415 0.664 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078006133 782119836 /nfs/dbraw/zinc/11/98/36/782119836.db2.gz TUNDGPCXOOLCJK-KZNAEPCWSA-N 1 1 342.443 0.561 20 30 ECEDMO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000329291907 546019031 /nfs/dbraw/zinc/01/90/31/546019031.db2.gz NNHGWANOKHUOGV-UONOGXRCSA-N 1 1 347.481 0.725 20 30 ECEDMO Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[NH+](C)CC2)CC(=O)N1C1CC1 ZINC000329532380 546026516 /nfs/dbraw/zinc/02/65/16/546026516.db2.gz XDGRVWJYEIZMEW-CZUORRHYSA-N 1 1 346.435 0.386 20 30 ECEDMO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@]1(CO)CCOC1 ZINC000625318091 547069625 /nfs/dbraw/zinc/06/96/25/547069625.db2.gz HHYAROIZABZIHB-GOSISDBHSA-N 1 1 328.368 0.369 20 30 ECEDMO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@]1(CO)CCOC1 ZINC000625318091 547069629 /nfs/dbraw/zinc/06/96/29/547069629.db2.gz HHYAROIZABZIHB-GOSISDBHSA-N 1 1 328.368 0.369 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000667939801 547573518 /nfs/dbraw/zinc/57/35/18/547573518.db2.gz QUDZIZIYEGGBTH-CABCVRRESA-N 1 1 338.452 0.161 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000668651769 547712845 /nfs/dbraw/zinc/71/28/45/547712845.db2.gz MIIZLGSCDOFPGF-LSDHHAIUSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)CCCOC)C1 ZINC000669104859 547828895 /nfs/dbraw/zinc/82/88/95/547828895.db2.gz PNQSVQUOJXQTFI-HNNXBMFYSA-N 1 1 325.453 0.886 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672305367 548302779 /nfs/dbraw/zinc/30/27/79/548302779.db2.gz MEQXBGIRKZSTIQ-PMPSAXMXSA-N 1 1 335.448 0.684 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2O)nc1 ZINC001078031123 782176443 /nfs/dbraw/zinc/17/64/43/782176443.db2.gz CNBHXTXOROGZGH-USXIJHARSA-N 1 1 329.400 0.407 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC001041777128 782181319 /nfs/dbraw/zinc/18/13/19/782181319.db2.gz IFIDQQKERTXTJF-YOEHRIQHSA-N 1 1 329.404 0.411 20 30 ECEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752307045 579383039 /nfs/dbraw/zinc/38/30/39/579383039.db2.gz AQDOOLQUNBOYQI-HZSPNIEDSA-N 1 1 338.367 0.651 20 30 ECEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752307045 579383040 /nfs/dbraw/zinc/38/30/40/579383040.db2.gz AQDOOLQUNBOYQI-HZSPNIEDSA-N 1 1 338.367 0.651 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)[C@H](C)C2(C)CC2)c1=O ZINC000753112517 579395353 /nfs/dbraw/zinc/39/53/53/579395353.db2.gz UGTDKYAFBSPNIS-CYBMUJFWSA-N 1 1 334.420 0.622 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)[C@H](C)C2(C)CC2)c1=O ZINC000753112517 579395354 /nfs/dbraw/zinc/39/53/54/579395354.db2.gz UGTDKYAFBSPNIS-CYBMUJFWSA-N 1 1 334.420 0.622 20 30 ECEDMO C#CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000753377549 579399896 /nfs/dbraw/zinc/39/98/96/579399896.db2.gz HQZNIZCNBMEMCS-ZWKOTPCHSA-N 1 1 345.443 0.818 20 30 ECEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cccc(S(N)(=O)=O)c1 ZINC000753936179 579409458 /nfs/dbraw/zinc/40/94/58/579409458.db2.gz RZUPNPPYFRTVLY-OKILXGFUSA-N 1 1 335.433 0.918 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000757195721 579460074 /nfs/dbraw/zinc/46/00/74/579460074.db2.gz ODBUCVWNTVFCNY-DNZUHHBVSA-N 1 1 348.447 0.997 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759911652 579500646 /nfs/dbraw/zinc/50/06/46/579500646.db2.gz OZLQBSUDNIQBDN-ZIAGYGMSSA-N 1 1 326.400 0.657 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759911652 579500647 /nfs/dbraw/zinc/50/06/47/579500647.db2.gz OZLQBSUDNIQBDN-ZIAGYGMSSA-N 1 1 326.400 0.657 20 30 ECEDMO C#CCNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000728392817 578289119 /nfs/dbraw/zinc/28/91/19/578289119.db2.gz ISGVHXGXAKJBQB-UHFFFAOYSA-N 1 1 343.431 0.652 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(S(=O)(=O)NC)c1 ZINC000730097168 578303305 /nfs/dbraw/zinc/30/33/05/578303305.db2.gz FLEQNZQAOIIDNV-HNNXBMFYSA-N 1 1 335.429 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(S(=O)(=O)NC)c1 ZINC000730097168 578303306 /nfs/dbraw/zinc/30/33/06/578303306.db2.gz FLEQNZQAOIIDNV-HNNXBMFYSA-N 1 1 335.429 0.309 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000730281329 578304554 /nfs/dbraw/zinc/30/45/54/578304554.db2.gz IUCJVSSYEKZKOL-HOTGVXAUSA-N 1 1 332.448 0.025 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)NCCn2cc[nH+]c2C)c1 ZINC000731129068 578310602 /nfs/dbraw/zinc/31/06/02/578310602.db2.gz GQTIXPVTKUENAK-UHFFFAOYSA-N 1 1 326.356 0.958 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732558939 578327363 /nfs/dbraw/zinc/32/73/63/578327363.db2.gz FCWLRZUIDQENIA-ROUUACIJSA-N 1 1 332.492 0.711 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)NCC[NH+]2CCSCC2)nc1 ZINC000732885822 578330646 /nfs/dbraw/zinc/33/06/46/578330646.db2.gz NRSBRAXSMZWSQF-UHFFFAOYSA-N 1 1 334.449 0.713 20 30 ECEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000734669201 578365957 /nfs/dbraw/zinc/36/59/57/578365957.db2.gz QTSYKEGKRPTVGK-UWZWCOGJSA-N 1 1 349.435 0.496 20 30 ECEDMO N#Cc1cc(-c2nn[nH]n2)c(SCCC[NH+]2CCOCC2)nc1N ZINC000737706343 578518477 /nfs/dbraw/zinc/51/84/77/578518477.db2.gz XGARRWJITVYPKF-UHFFFAOYSA-N 1 1 346.420 0.530 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CCO1 ZINC000794833931 578600444 /nfs/dbraw/zinc/60/04/44/578600444.db2.gz SMODWDBRTWGAEB-ZFWWWQNUSA-N 1 1 330.388 0.654 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CCO1 ZINC000794833931 578600445 /nfs/dbraw/zinc/60/04/45/578600445.db2.gz SMODWDBRTWGAEB-ZFWWWQNUSA-N 1 1 330.388 0.654 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000795084512 578604698 /nfs/dbraw/zinc/60/46/98/578604698.db2.gz DIVCMIKELLIKCD-HUUCEWRRSA-N 1 1 335.429 0.894 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000798398549 578645139 /nfs/dbraw/zinc/64/51/39/578645139.db2.gz XCQAINGZJJGLTR-LSDHHAIUSA-N 1 1 338.452 0.003 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000798452552 578645822 /nfs/dbraw/zinc/64/58/22/578645822.db2.gz IYUVVWKAHQYNST-MSOLQXFVSA-N 1 1 345.443 0.827 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000782035750 578719151 /nfs/dbraw/zinc/71/91/51/578719151.db2.gz WSIJPRAJUUVQPW-MOPGFXCFSA-N 1 1 341.455 0.967 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000787637147 578811923 /nfs/dbraw/zinc/81/19/23/578811923.db2.gz JYDOCZXDLVOBQJ-ZNMIVQPWSA-N 1 1 349.456 0.764 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCO1 ZINC000787706951 578814024 /nfs/dbraw/zinc/81/40/24/578814024.db2.gz PMLLWLRZGGHGMI-YVSFHVDLSA-N 1 1 349.475 0.768 20 30 ECEDMO COCCN(C)c1ccc(C=[NH+]N[C@H]2CCS(=O)(=O)C2)cn1 ZINC000790138497 578868711 /nfs/dbraw/zinc/86/87/11/578868711.db2.gz NXESCMKDTOHHKD-ZDUSSCGKSA-N 1 1 326.422 0.275 20 30 ECEDMO CC(=NN1CC(=O)N(C)C1=O)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000768380375 579124992 /nfs/dbraw/zinc/12/49/92/579124992.db2.gz QUAWUWQFTXWPHA-UHFFFAOYSA-N 1 1 346.387 0.842 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000770300267 579164135 /nfs/dbraw/zinc/16/41/35/579164135.db2.gz TVUFVFSTHDQYMQ-SWLSCSKDSA-N 1 1 346.387 0.363 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000770300267 579164136 /nfs/dbraw/zinc/16/41/36/579164136.db2.gz TVUFVFSTHDQYMQ-SWLSCSKDSA-N 1 1 346.387 0.363 20 30 ECEDMO C#C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCCO1 ZINC000773276074 579223733 /nfs/dbraw/zinc/22/37/33/579223733.db2.gz ITKFAXJHNQYBGE-ILXRZTDVSA-N 1 1 336.436 0.054 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@H]1CCCO1 ZINC000774824552 579256970 /nfs/dbraw/zinc/25/69/70/579256970.db2.gz KBQCESAVVJFMFA-BFHYXJOUSA-N 1 1 333.388 0.296 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CCCO1 ZINC000774824555 579257020 /nfs/dbraw/zinc/25/70/20/579257020.db2.gz KBQCESAVVJFMFA-IHRRRGAJSA-N 1 1 333.388 0.296 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)[C@@H]1CCCO1 ZINC000775794371 579271548 /nfs/dbraw/zinc/27/15/48/579271548.db2.gz QGVJFHUQVQEQNI-IRXDYDNUSA-N 1 1 343.427 0.661 20 30 ECEDMO C#C[C@@H]([NH2+]CC1(CN[C@@H](C#C)[C@H]2CCCO2)COC1)[C@@H]1CCCO1 ZINC000775801782 579271744 /nfs/dbraw/zinc/27/17/44/579271744.db2.gz WJMJDOWBCNPMME-FZDBZEDMSA-N 1 1 332.444 0.544 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCCOc2ccccc2)CC1 ZINC000761031722 579519806 /nfs/dbraw/zinc/51/98/06/579519806.db2.gz BATNTAAOWMQYJI-UHFFFAOYSA-N 1 1 337.445 0.541 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000836488682 588931653 /nfs/dbraw/zinc/93/16/53/588931653.db2.gz LONLHQIWVDLQQC-CQSZACIVSA-N 1 1 339.436 0.694 20 30 ECEDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCNc1ncccc1C#N ZINC000837857090 588963344 /nfs/dbraw/zinc/96/33/44/588963344.db2.gz PKGBOTVKUAUPBS-CYBMUJFWSA-N 1 1 332.408 0.073 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCNc1ncccc1C#N ZINC000837857090 588963347 /nfs/dbraw/zinc/96/33/47/588963347.db2.gz PKGBOTVKUAUPBS-CYBMUJFWSA-N 1 1 332.408 0.073 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCNc1ccc(C#N)cn1 ZINC000842175932 589017373 /nfs/dbraw/zinc/01/73/73/589017373.db2.gz YAZHUYNVHWYKRS-UONOGXRCSA-N 1 1 346.435 0.462 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)CC1 ZINC000895883662 586210395 /nfs/dbraw/zinc/21/03/95/586210395.db2.gz DELREZMJYPMSCC-JKSUJKDBSA-N 1 1 336.432 0.855 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000896487713 586243336 /nfs/dbraw/zinc/24/33/36/586243336.db2.gz BOEJOOQQFQSOKH-GVDBMIGSSA-N 1 1 334.464 0.325 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)C1 ZINC000896489443 586243468 /nfs/dbraw/zinc/24/34/68/586243468.db2.gz OPTZPQAYVDRMFN-CYBMUJFWSA-N 1 1 345.403 0.403 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)C1 ZINC000896489443 586243470 /nfs/dbraw/zinc/24/34/70/586243470.db2.gz OPTZPQAYVDRMFN-CYBMUJFWSA-N 1 1 345.403 0.403 20 30 ECEDMO O=C(NCC[N@H+]1CCCOCC1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000895047582 586426920 /nfs/dbraw/zinc/42/69/20/586426920.db2.gz YWMXAKPLFOMJJJ-UHFFFAOYSA-N 1 1 337.420 0.756 20 30 ECEDMO C#CCSCC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000899231127 586478004 /nfs/dbraw/zinc/47/80/04/586478004.db2.gz SOKUNWXRQYDFMV-OAHLLOKOSA-N 1 1 325.478 0.266 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900273732 586536430 /nfs/dbraw/zinc/53/64/30/586536430.db2.gz BVJRGTXGXSXUPZ-LJQANCHMSA-N 1 1 343.427 0.912 20 30 ECEDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000900318174 586536434 /nfs/dbraw/zinc/53/64/34/586536434.db2.gz OEPNOYFRGIICCH-GOSISDBHSA-N 1 1 343.431 0.449 20 30 ECEDMO C#C[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@@H]1CCCO1 ZINC000775346969 586916979 /nfs/dbraw/zinc/91/69/79/586916979.db2.gz KQBOKAAPISLMHJ-JSGCOSHPSA-N 1 1 327.388 0.945 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)CC2)c(F)c1 ZINC000905926799 586923195 /nfs/dbraw/zinc/92/31/95/586923195.db2.gz ITZIZNKDSGOTLF-YJBOKZPZSA-N 1 1 349.406 0.722 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cn1 ZINC000804644284 587089344 /nfs/dbraw/zinc/08/93/44/587089344.db2.gz GCHHPJNFYNQZIC-ALOPSCKCSA-N 1 1 340.427 0.876 20 30 ECEDMO CCCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@@H+](C)C1 ZINC000843992178 589086037 /nfs/dbraw/zinc/08/60/37/589086037.db2.gz PFBKBHWQRRVQCI-WPCFGXOUSA-N 1 1 334.420 0.846 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[C@H]1CCCO1 ZINC000809305456 587173489 /nfs/dbraw/zinc/17/34/89/587173489.db2.gz DGXNHDYDTKQZBP-YYIAUSFCSA-N 1 1 347.459 0.757 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@H]1CCCO1 ZINC000809313677 587175104 /nfs/dbraw/zinc/17/51/04/587175104.db2.gz UQGTWPPKZQAJSZ-LSDHHAIUSA-N 1 1 335.448 0.616 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1C#N ZINC000811391251 587218677 /nfs/dbraw/zinc/21/86/77/587218677.db2.gz ZHAWUFQOWSOINS-ZFWWWQNUSA-N 1 1 344.463 0.979 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000814145066 587270771 /nfs/dbraw/zinc/27/07/71/587270771.db2.gz KLGGDKYNEWKULI-ZBFHGGJFSA-N 1 1 347.440 0.374 20 30 ECEDMO N#Cc1csc(C=NNC(=S)NCCC[NH+]2CCOCC2)n1 ZINC000814728309 587278921 /nfs/dbraw/zinc/27/89/21/587278921.db2.gz SCAKUFNMYDMLCQ-UHFFFAOYSA-N 1 1 338.462 0.535 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000815704446 587296620 /nfs/dbraw/zinc/29/66/20/587296620.db2.gz HKQLXVNRTLFEGG-IUODEOHRSA-N 1 1 345.374 0.939 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000817839436 587388472 /nfs/dbraw/zinc/38/84/72/587388472.db2.gz LODNQXRMNNLYRS-BBRMVZONSA-N 1 1 329.400 0.119 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000817839436 587388475 /nfs/dbraw/zinc/38/84/75/587388475.db2.gz LODNQXRMNNLYRS-BBRMVZONSA-N 1 1 329.400 0.119 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)c1 ZINC000817846398 587389080 /nfs/dbraw/zinc/38/90/80/587389080.db2.gz RBFDYGJRRWSNIQ-UHFFFAOYSA-N 1 1 331.441 0.449 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1c(C)oc(C)c1S(N)(=O)=O ZINC000818595629 587439529 /nfs/dbraw/zinc/43/95/29/587439529.db2.gz FULFQWFMCUEHMY-UHFFFAOYSA-N 1 1 327.406 0.229 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(-n3nnnc3C)cc2F)CC1 ZINC000822934802 587692069 /nfs/dbraw/zinc/69/20/69/587692069.db2.gz JBQHDAGJFRNBEU-UHFFFAOYSA-N 1 1 342.378 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCn1cnc2c1ncnc2N ZINC000823764471 587742353 /nfs/dbraw/zinc/74/23/53/587742353.db2.gz ZDUDXRQMSWCKGQ-ZDUSSCGKSA-N 1 1 341.419 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCn1cnc2c1ncnc2N ZINC000823764471 587742354 /nfs/dbraw/zinc/74/23/54/587742354.db2.gz ZDUDXRQMSWCKGQ-ZDUSSCGKSA-N 1 1 341.419 0.355 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000826051251 587985459 /nfs/dbraw/zinc/98/54/59/587985459.db2.gz BQOJXXJRHILEOT-OAHLLOKOSA-N 1 1 334.464 0.984 20 30 ECEDMO N#Cc1c(F)cccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000831804156 588450715 /nfs/dbraw/zinc/45/07/15/588450715.db2.gz ADNFWIFHHAGQPP-LBPRGKRZSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1c(F)cccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000831804156 588450717 /nfs/dbraw/zinc/45/07/17/588450717.db2.gz ADNFWIFHHAGQPP-LBPRGKRZSA-N 1 1 341.408 0.822 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)C(C)(C)NC(=O)COC(C)(C)C)CC1 ZINC000845361323 589144163 /nfs/dbraw/zinc/14/41/63/589144163.db2.gz KUNIBRQGUGGYQW-UHFFFAOYSA-N 1 1 337.464 0.864 20 30 ECEDMO N#CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000847608999 589258725 /nfs/dbraw/zinc/25/87/25/589258725.db2.gz ZMNQXBFTUPHBBY-KGLIPLIRSA-N 1 1 330.392 0.478 20 30 ECEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851871901 589430180 /nfs/dbraw/zinc/43/01/80/589430180.db2.gz VUESRHYQNHASTK-AEFFLSMTSA-N 1 1 330.432 0.525 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852249426 589452905 /nfs/dbraw/zinc/45/29/05/589452905.db2.gz BVFBDWOWULZGIK-CQSZACIVSA-N 1 1 345.465 0.140 20 30 ECEDMO C#C[C@@H](NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)C1CCOCC1 ZINC000852258673 589453136 /nfs/dbraw/zinc/45/31/36/589453136.db2.gz YWHPAPPDQULXJQ-NVXWUHKLSA-N 1 1 336.480 0.740 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC[S@@](=O)CC(F)(F)F ZINC000852358237 589492360 /nfs/dbraw/zinc/49/23/60/589492360.db2.gz PCIVTWUFFCFIOY-OAQYLSRUSA-N 1 1 327.372 0.552 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C ZINC000852714709 589507093 /nfs/dbraw/zinc/50/70/93/589507093.db2.gz ZXUYOFVZYQBKHW-CJNGLKHVSA-N 1 1 345.399 0.946 20 30 ECEDMO C#CCN1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000111661445 589561964 /nfs/dbraw/zinc/56/19/64/589561964.db2.gz QGKFQGXTRCDWLH-IBGZPJMESA-N 1 1 340.471 0.753 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000854094036 589571183 /nfs/dbraw/zinc/57/11/83/589571183.db2.gz BRNQSINNZMKQRA-QGZVFWFLSA-N 1 1 336.480 0.838 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000854094036 589571185 /nfs/dbraw/zinc/57/11/85/589571185.db2.gz BRNQSINNZMKQRA-QGZVFWFLSA-N 1 1 336.480 0.838 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000855363948 589627799 /nfs/dbraw/zinc/62/77/99/589627799.db2.gz WRTXITXKMJEMPI-OAHLLOKOSA-N 1 1 349.456 0.764 20 30 ECEDMO C#C[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C1CCOCC1 ZINC000856119906 589655155 /nfs/dbraw/zinc/65/51/55/589655155.db2.gz XHQSFIRDVYNAFU-BZSNNMDCSA-N 1 1 344.459 1.000 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000857721448 589702105 /nfs/dbraw/zinc/70/21/05/589702105.db2.gz KVJZRDWVRUWBTK-UHFFFAOYSA-N 1 1 347.375 0.788 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000858191962 589730538 /nfs/dbraw/zinc/73/05/38/589730538.db2.gz CTDMOSIIURHMBO-CABCVRRESA-N 1 1 338.452 0.301 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000866731262 589764365 /nfs/dbraw/zinc/76/43/65/589764365.db2.gz RXEIXNXVMZKUEI-UHFFFAOYSA-N 1 1 342.440 0.811 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000859217901 589808782 /nfs/dbraw/zinc/80/87/82/589808782.db2.gz HQABQMJRDLNQIQ-HUUCEWRRSA-N 1 1 331.372 0.824 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000859217901 589808783 /nfs/dbraw/zinc/80/87/83/589808783.db2.gz HQABQMJRDLNQIQ-HUUCEWRRSA-N 1 1 331.372 0.824 20 30 ECEDMO C=C(Cl)C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C(=O)OCC ZINC000870031426 589990533 /nfs/dbraw/zinc/99/05/33/589990533.db2.gz QJMGMNUVQNAXJV-STQMWFEESA-N 1 1 331.844 0.813 20 30 ECEDMO CON(C)C(=O)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000863587898 590025686 /nfs/dbraw/zinc/02/56/86/590025686.db2.gz UYCRETAOQLOARA-NSHDSACASA-N 1 1 325.390 0.330 20 30 ECEDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1c(C)cccc1C#N ZINC000871808273 590087785 /nfs/dbraw/zinc/08/77/85/590087785.db2.gz XPLGNFBDRSBXNS-CYBMUJFWSA-N 1 1 337.401 0.392 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@]1(C#N)CCCOC1 ZINC000865106283 590125551 /nfs/dbraw/zinc/12/55/51/590125551.db2.gz GKXKJRBUGLHQEH-PBHICJAKSA-N 1 1 336.436 0.366 20 30 ECEDMO N#Cc1c(F)cccc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000872617031 590133665 /nfs/dbraw/zinc/13/36/65/590133665.db2.gz IFIILWQMVAIJLQ-NWDGAFQWSA-N 1 1 339.392 0.527 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000873023895 590179630 /nfs/dbraw/zinc/17/96/30/590179630.db2.gz AXMSUQGEJSKDRP-CQSZACIVSA-N 1 1 347.419 0.985 20 30 ECEDMO N#Cc1cc(F)cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000873718175 590198242 /nfs/dbraw/zinc/19/82/42/590198242.db2.gz LMZQYSJPNDRZBQ-GJZGRUSLSA-N 1 1 346.362 0.615 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000874991223 590261275 /nfs/dbraw/zinc/26/12/75/590261275.db2.gz XUGIQCREDQQHHQ-HUUCEWRRSA-N 1 1 347.415 0.687 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000875596244 590311937 /nfs/dbraw/zinc/31/19/37/590311937.db2.gz JGURZCXKGMFHMW-BZUAXINKSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000875598768 590312544 /nfs/dbraw/zinc/31/25/44/590312544.db2.gz KUMPXPQPDDKPPC-CVEARBPZSA-N 1 1 337.464 0.625 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000875604366 590314648 /nfs/dbraw/zinc/31/46/48/590314648.db2.gz MFKFTFSSEOKQTC-HNNXBMFYSA-N 1 1 344.415 0.193 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 ZINC000880101871 590369218 /nfs/dbraw/zinc/36/92/18/590369218.db2.gz OTGLLOPANGVUPU-UHFFFAOYSA-N 1 1 339.399 0.933 20 30 ECEDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)C[C@@H]2C1 ZINC000880314260 590383248 /nfs/dbraw/zinc/38/32/48/590383248.db2.gz YACHBZUYQBQTSH-BBWFWOEESA-N 1 1 329.400 0.708 20 30 ECEDMO N#Cc1cc(CN2C[C@@H]3C[C@]3(O)C2)cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000880420576 590391830 /nfs/dbraw/zinc/39/18/30/590391830.db2.gz JPSZEPMPQQGSPZ-VJANTYMQSA-N 1 1 325.412 0.691 20 30 ECEDMO N#Cc1cc(CN2C[C@@H]3C[C@]3(O)C2)cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000880420576 590391831 /nfs/dbraw/zinc/39/18/31/590391831.db2.gz JPSZEPMPQQGSPZ-VJANTYMQSA-N 1 1 325.412 0.691 20 30 ECEDMO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876673550 590396917 /nfs/dbraw/zinc/39/69/17/590396917.db2.gz OERZWMNVPWGQEN-XHBSWPGZSA-N 1 1 347.440 0.779 20 30 ECEDMO CS(=O)(=O)CC1(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876701816 590399962 /nfs/dbraw/zinc/39/99/62/590399962.db2.gz YFVZWJHKANPBBP-OAHLLOKOSA-N 1 1 347.440 0.686 20 30 ECEDMO Cc1nc(C#N)cc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000881791332 590474118 /nfs/dbraw/zinc/47/41/18/590474118.db2.gz ISDUPLMFNBHBLR-UHFFFAOYSA-N 1 1 328.420 0.791 20 30 ECEDMO Cc1nc(C#N)cc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000881791332 590474120 /nfs/dbraw/zinc/47/41/20/590474120.db2.gz ISDUPLMFNBHBLR-UHFFFAOYSA-N 1 1 328.420 0.791 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000878315131 590514758 /nfs/dbraw/zinc/51/47/58/590514758.db2.gz GVTPXCYZBULBBZ-ILXRZTDVSA-N 1 1 327.450 0.029 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000878315908 590515598 /nfs/dbraw/zinc/51/55/98/590515598.db2.gz XZDOOIQJGJUXQC-AWEZNQCLSA-N 1 1 327.450 0.173 20 30 ECEDMO C#CCNC(=O)CC[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000878871683 590548923 /nfs/dbraw/zinc/54/89/23/590548923.db2.gz SXQOJFCWCIXVER-OAHLLOKOSA-N 1 1 325.478 0.266 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](Nc2cc(C#N)nc(C)n2)CC1=O ZINC000882477985 590552558 /nfs/dbraw/zinc/55/25/58/590552558.db2.gz XVXYZRNXWHWMEI-CQSZACIVSA-N 1 1 332.408 0.248 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000882636180 590566979 /nfs/dbraw/zinc/56/69/79/590566979.db2.gz PCXOIMBZIBSCPV-SFHVURJKSA-N 1 1 342.443 0.589 20 30 ECEDMO C=C(C)C[C@@H](CO)NC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000883127815 590606305 /nfs/dbraw/zinc/60/63/05/590606305.db2.gz IMZXAZYHJWBVDZ-HNNXBMFYSA-N 1 1 340.468 0.603 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885111747 590684292 /nfs/dbraw/zinc/68/42/92/590684292.db2.gz SLPUJZXEKBFXKT-UHFFFAOYSA-N 1 1 325.434 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000884163238 590759074 /nfs/dbraw/zinc/75/90/74/590759074.db2.gz ASEANNLIDCOLEQ-RYUDHWBXSA-N 1 1 346.353 0.546 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000884163238 590759076 /nfs/dbraw/zinc/75/90/76/590759076.db2.gz ASEANNLIDCOLEQ-RYUDHWBXSA-N 1 1 346.353 0.546 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884178589 590764147 /nfs/dbraw/zinc/76/41/47/590764147.db2.gz PLLAQNASCDKXTN-HOTGVXAUSA-N 1 1 331.416 0.824 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000884204729 590773954 /nfs/dbraw/zinc/77/39/54/590773954.db2.gz CMXFEWFAXDADFB-YOEHRIQHSA-N 1 1 345.443 0.996 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886043332 590789052 /nfs/dbraw/zinc/78/90/52/590789052.db2.gz AFGARMRKSCZJFM-HOTGVXAUSA-N 1 1 334.464 0.670 20 30 ECEDMO N#CC1(C[C@@H](O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CCC1 ZINC000886081149 590792585 /nfs/dbraw/zinc/79/25/85/590792585.db2.gz JJPNHCADJORAQE-HZPDHXFCSA-N 1 1 334.464 0.845 20 30 ECEDMO N#CC1(C[C@@H](O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CCC1 ZINC000886081149 590792589 /nfs/dbraw/zinc/79/25/89/590792589.db2.gz JJPNHCADJORAQE-HZPDHXFCSA-N 1 1 334.464 0.845 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)CC1 ZINC000886631589 590866430 /nfs/dbraw/zinc/86/64/30/590866430.db2.gz QNXGTXOJOINOSW-ZHALLVOQSA-N 1 1 348.491 0.916 20 30 ECEDMO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NCCCCC#N)c1 ZINC000884630831 590878499 /nfs/dbraw/zinc/87/84/99/590878499.db2.gz LAPSHHDIEPXWNE-INIZCTEOSA-N 1 1 344.415 0.978 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)C1 ZINC000890361518 591150963 /nfs/dbraw/zinc/15/09/63/591150963.db2.gz SPQALSZQIWBFDJ-SUMWQHHRSA-N 1 1 348.403 0.187 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)C1 ZINC000890361518 591150966 /nfs/dbraw/zinc/15/09/66/591150966.db2.gz SPQALSZQIWBFDJ-SUMWQHHRSA-N 1 1 348.403 0.187 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)C1 ZINC000890365853 591151880 /nfs/dbraw/zinc/15/18/80/591151880.db2.gz ZUVDLFMGANIEFL-IKGGRYGDSA-N 1 1 349.475 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)C1 ZINC000890365853 591151881 /nfs/dbraw/zinc/15/18/81/591151881.db2.gz ZUVDLFMGANIEFL-IKGGRYGDSA-N 1 1 349.475 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccn(CC(=O)N(C)C)n2)C1 ZINC000890372670 591154918 /nfs/dbraw/zinc/15/49/18/591154918.db2.gz MIUOWJUBKZJVLS-CYBMUJFWSA-N 1 1 332.408 0.190 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccn(CC(=O)N(C)C)n2)C1 ZINC000890372670 591154920 /nfs/dbraw/zinc/15/49/20/591154920.db2.gz MIUOWJUBKZJVLS-CYBMUJFWSA-N 1 1 332.408 0.190 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cccc(C)c3=O)CC[C@@H]2C1 ZINC000946591295 611357626 /nfs/dbraw/zinc/35/76/26/611357626.db2.gz RRIVELZEWXRWQE-CALCHBBNSA-N 1 1 327.428 0.960 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)CC[C@@H]2C1 ZINC000946612541 611363804 /nfs/dbraw/zinc/36/38/04/611363804.db2.gz OQGZOAASRHURBR-GASCZTMLSA-N 1 1 341.477 0.378 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C ZINC000948010875 611383605 /nfs/dbraw/zinc/38/36/05/611383605.db2.gz FFIQOVXRYHYPCH-VXGBXAGGSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C ZINC000948010875 611383608 /nfs/dbraw/zinc/38/36/08/611383608.db2.gz FFIQOVXRYHYPCH-VXGBXAGGSA-N 1 1 342.827 0.602 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@@H]2C1 ZINC000946664538 611401154 /nfs/dbraw/zinc/40/11/54/611401154.db2.gz XPGFNYCHZZUKBM-OKILXGFUSA-N 1 1 332.404 0.305 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C ZINC000948037169 611394877 /nfs/dbraw/zinc/39/48/77/611394877.db2.gz NXZNCCREKYSFRT-BMFZPTHFSA-N 1 1 344.415 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C ZINC000948037169 611394880 /nfs/dbraw/zinc/39/48/80/611394880.db2.gz NXZNCCREKYSFRT-BMFZPTHFSA-N 1 1 344.415 0.278 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)CC[C@@H]2C1 ZINC000946677719 611410200 /nfs/dbraw/zinc/41/02/00/611410200.db2.gz KNLMRVUZBYVDII-TWMKSMIVSA-N 1 1 347.459 0.603 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)NCCNc1ccc(C)c[nH+]1)[C@H]1CCCO1 ZINC000930469536 611430871 /nfs/dbraw/zinc/43/08/71/611430871.db2.gz IFIHWYMYAQAFFP-ZIAGYGMSSA-N 1 1 330.388 0.215 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1=O ZINC000925275738 611464688 /nfs/dbraw/zinc/46/46/88/611464688.db2.gz UKCGSXDETHAZQU-MCIONIFRSA-N 1 1 325.409 0.609 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2CC1 ZINC000946786627 611477939 /nfs/dbraw/zinc/47/79/39/611477939.db2.gz LUPUUEZGWOFMKO-TWMKSMIVSA-N 1 1 349.475 0.836 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC[N@H+]3C)CC2)c1C#N ZINC000925419879 611480785 /nfs/dbraw/zinc/48/07/85/611480785.db2.gz GUKXDRFKPTUPCA-CYBMUJFWSA-N 1 1 331.424 0.136 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000948277948 611499135 /nfs/dbraw/zinc/49/91/35/611499135.db2.gz NZBJEZABXISZEY-TZMCWYRMSA-N 1 1 331.420 0.947 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)CC(=O)N2CCN(C)CC2)cc1 ZINC000931487678 611545157 /nfs/dbraw/zinc/54/51/57/611545157.db2.gz GDPMPVDTZBCUSF-UHFFFAOYSA-N 1 1 342.443 0.702 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3cc(C#N)ccc3F)CC[C@H]21 ZINC000931597562 611552520 /nfs/dbraw/zinc/55/25/20/611552520.db2.gz BYDZDMPRENJZPV-CZUORRHYSA-N 1 1 344.390 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1C ZINC000947478819 611553243 /nfs/dbraw/zinc/55/32/43/611553243.db2.gz HWMIVEBXDGBFEK-CHWSQXEVSA-N 1 1 328.376 0.535 20 30 ECEDMO COC1(OC)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1O ZINC000931642381 611560649 /nfs/dbraw/zinc/56/06/49/611560649.db2.gz RMIVNYOFINJAAF-KBPBESRZSA-N 1 1 339.436 0.773 20 30 ECEDMO COC1(OC)CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1O ZINC000931642381 611560650 /nfs/dbraw/zinc/56/06/50/611560650.db2.gz RMIVNYOFINJAAF-KBPBESRZSA-N 1 1 339.436 0.773 20 30 ECEDMO COC1(OC)CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1O ZINC000931641712 611560720 /nfs/dbraw/zinc/56/07/20/611560720.db2.gz HMTAMHDBQZXROM-AWEZNQCLSA-N 1 1 339.436 0.727 20 30 ECEDMO COC1(OC)CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1O ZINC000931641712 611560721 /nfs/dbraw/zinc/56/07/21/611560721.db2.gz HMTAMHDBQZXROM-AWEZNQCLSA-N 1 1 339.436 0.727 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948416568 611583263 /nfs/dbraw/zinc/58/32/63/611583263.db2.gz IWRAFHDCGUUFSG-HZPDHXFCSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C[C@@H]1C ZINC000947546363 611590419 /nfs/dbraw/zinc/59/04/19/611590419.db2.gz GNQXOJVWQQNVTC-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@H]1C ZINC000947593739 611610840 /nfs/dbraw/zinc/61/08/40/611610840.db2.gz QLQWTKGEXYHDDP-CABCVRRESA-N 1 1 341.415 0.488 20 30 ECEDMO C#CC[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C(C)C ZINC000932392623 611621589 /nfs/dbraw/zinc/62/15/89/611621589.db2.gz ASTPAMRXLWUEIJ-UHFFFAOYSA-N 1 1 336.480 0.389 20 30 ECEDMO C#CC[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C(C)C ZINC000932392623 611621591 /nfs/dbraw/zinc/62/15/91/611621591.db2.gz ASTPAMRXLWUEIJ-UHFFFAOYSA-N 1 1 336.480 0.389 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)C1 ZINC000924035631 608727374 /nfs/dbraw/zinc/72/73/74/608727374.db2.gz JOZUKFDPPQSWLB-GJZGRUSLSA-N 1 1 334.420 0.614 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)C1 ZINC000924035631 608727378 /nfs/dbraw/zinc/72/73/78/608727378.db2.gz JOZUKFDPPQSWLB-GJZGRUSLSA-N 1 1 334.420 0.614 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC([C@H]3COC(=O)N3)CC2)C1 ZINC000924035636 608727451 /nfs/dbraw/zinc/72/74/51/608727451.db2.gz JOZUKFDPPQSWLB-HUUCEWRRSA-N 1 1 334.420 0.614 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([C@H]3COC(=O)N3)CC2)C1 ZINC000924035636 608727454 /nfs/dbraw/zinc/72/74/54/608727454.db2.gz JOZUKFDPPQSWLB-HUUCEWRRSA-N 1 1 334.420 0.614 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000948590942 611663098 /nfs/dbraw/zinc/66/30/98/611663098.db2.gz QFIWDEYPGVENEE-CQSZACIVSA-N 1 1 332.404 0.285 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC000947463618 608762631 /nfs/dbraw/zinc/76/26/31/608762631.db2.gz KDHRGLFKGRJGSM-CVEARBPZSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000947229956 608798742 /nfs/dbraw/zinc/79/87/42/608798742.db2.gz JQBRNIHJXMLEOU-HOTGVXAUSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000947229956 608798746 /nfs/dbraw/zinc/79/87/46/608798746.db2.gz JQBRNIHJXMLEOU-HOTGVXAUSA-N 1 1 333.432 0.370 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C ZINC000947498747 608822800 /nfs/dbraw/zinc/82/28/00/608822800.db2.gz YNBWUOHMMIIVRR-VXGBXAGGSA-N 1 1 339.417 0.533 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1C ZINC000947512083 608845552 /nfs/dbraw/zinc/84/55/52/608845552.db2.gz TYOZVCDLYFCWPB-NWDGAFQWSA-N 1 1 340.811 0.671 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1C ZINC000947512083 608845554 /nfs/dbraw/zinc/84/55/54/608845554.db2.gz TYOZVCDLYFCWPB-NWDGAFQWSA-N 1 1 340.811 0.671 20 30 ECEDMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCC#CCO)C2)cc(OC)c1 ZINC000923777345 608926440 /nfs/dbraw/zinc/92/64/40/608926440.db2.gz PGQAPRWRURXVAJ-HNNXBMFYSA-N 1 1 347.415 0.573 20 30 ECEDMO COc1cc(C[N@H+]2CC[C@H](NC(=O)NCC#CCO)C2)cc(OC)c1 ZINC000923777345 608926443 /nfs/dbraw/zinc/92/64/43/608926443.db2.gz PGQAPRWRURXVAJ-HNNXBMFYSA-N 1 1 347.415 0.573 20 30 ECEDMO C[C@H](NC(=O)NCC#CCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000923778914 608930850 /nfs/dbraw/zinc/93/08/50/608930850.db2.gz HXPFFUAVYIWLRP-DOTOQJQBSA-N 1 1 331.416 0.571 20 30 ECEDMO C[C@H](NC(=O)NCC#CCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000923778914 608930852 /nfs/dbraw/zinc/93/08/52/608930852.db2.gz HXPFFUAVYIWLRP-DOTOQJQBSA-N 1 1 331.416 0.571 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937177353 609022558 /nfs/dbraw/zinc/02/25/58/609022558.db2.gz ZQBQFPYZMWDECX-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947666251 609028531 /nfs/dbraw/zinc/02/85/31/609028531.db2.gz CNJAGOPDPMKLTC-BXUZGUMPSA-N 1 1 330.388 0.521 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000937710863 609028608 /nfs/dbraw/zinc/02/86/08/609028608.db2.gz UWMQGFOKVRLVEE-XHSDSOJGSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000937710863 609028610 /nfs/dbraw/zinc/02/86/10/609028610.db2.gz UWMQGFOKVRLVEE-XHSDSOJGSA-N 1 1 333.432 0.370 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C)cc1C#N ZINC000947667333 609040977 /nfs/dbraw/zinc/04/09/77/609040977.db2.gz QHKGEXUZXFKAIB-BXUZGUMPSA-N 1 1 330.388 0.521 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2coc(C)n2)C[C@H]1C ZINC000948657463 611680041 /nfs/dbraw/zinc/68/00/41/611680041.db2.gz YIMQQEMNJIERNG-XPKDYRNWSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2coc(C)n2)C[C@H]1C ZINC000948657463 611680044 /nfs/dbraw/zinc/68/00/44/611680044.db2.gz YIMQQEMNJIERNG-XPKDYRNWSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000936787094 609086335 /nfs/dbraw/zinc/08/63/35/609086335.db2.gz WEQBAMFMWPOTQY-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000936787094 609086337 /nfs/dbraw/zinc/08/63/37/609086337.db2.gz WEQBAMFMWPOTQY-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000936787094 609086338 /nfs/dbraw/zinc/08/63/38/609086338.db2.gz WEQBAMFMWPOTQY-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000936787094 609086339 /nfs/dbraw/zinc/08/63/39/609086339.db2.gz WEQBAMFMWPOTQY-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000936787094 609086340 /nfs/dbraw/zinc/08/63/40/609086340.db2.gz WEQBAMFMWPOTQY-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)[C@H](C)C2)nn1 ZINC000947792040 611692521 /nfs/dbraw/zinc/69/25/21/611692521.db2.gz HZOAGVSFJDSKTR-TZMCWYRMSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H](C)C2)nn1 ZINC000947792040 611692523 /nfs/dbraw/zinc/69/25/23/611692523.db2.gz HZOAGVSFJDSKTR-TZMCWYRMSA-N 1 1 346.435 0.325 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000937976977 609428920 /nfs/dbraw/zinc/42/89/20/609428920.db2.gz YNMQMZLKANZQSE-MSOLQXFVSA-N 1 1 339.439 0.879 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000937977356 609429424 /nfs/dbraw/zinc/42/94/24/609429424.db2.gz PQOGQGADLJLQMJ-IRXDYDNUSA-N 1 1 325.412 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](OC)C2CC2)C1 ZINC000938170438 609482194 /nfs/dbraw/zinc/48/21/94/609482194.db2.gz HPLDZPVTRRIPGP-HRCADAONSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](OC)C2CC2)C1 ZINC000938170438 609482196 /nfs/dbraw/zinc/48/21/96/609482196.db2.gz HPLDZPVTRRIPGP-HRCADAONSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC000938170818 609482310 /nfs/dbraw/zinc/48/23/10/609482310.db2.gz OCJZAYZXBLYMNK-UGUYLWEFSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC000938170818 609482313 /nfs/dbraw/zinc/48/23/13/609482313.db2.gz OCJZAYZXBLYMNK-UGUYLWEFSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccn2CC)C1 ZINC000938170509 609482510 /nfs/dbraw/zinc/48/25/10/609482510.db2.gz IWXXDPRDXLJLFH-HOTGVXAUSA-N 1 1 342.443 0.936 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccn2CC)C1 ZINC000938170509 609482512 /nfs/dbraw/zinc/48/25/12/609482512.db2.gz IWXXDPRDXLJLFH-HOTGVXAUSA-N 1 1 342.443 0.936 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2occc2C)C1 ZINC000938171005 609482986 /nfs/dbraw/zinc/48/29/86/609482986.db2.gz SDPJKMYTXMXFHU-HOTGVXAUSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2occc2C)C1 ZINC000938171005 609482990 /nfs/dbraw/zinc/48/29/90/609482990.db2.gz SDPJKMYTXMXFHU-HOTGVXAUSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC000938171048 609483184 /nfs/dbraw/zinc/48/31/84/609483184.db2.gz UNGIGNVGLJUUBF-IRXDYDNUSA-N 1 1 340.427 0.439 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC000938171048 609483185 /nfs/dbraw/zinc/48/31/85/609483185.db2.gz UNGIGNVGLJUUBF-IRXDYDNUSA-N 1 1 340.427 0.439 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)SC)C1 ZINC000938171196 609483496 /nfs/dbraw/zinc/48/34/96/609483496.db2.gz YIKWKLXAGPRAPS-SOUVJXGZSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)SC)C1 ZINC000938171196 609483497 /nfs/dbraw/zinc/48/34/97/609483497.db2.gz YIKWKLXAGPRAPS-SOUVJXGZSA-N 1 1 337.489 0.943 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C ZINC000947810712 611701187 /nfs/dbraw/zinc/70/11/87/611701187.db2.gz OORGMZNCTPMUMO-ZIAGYGMSSA-N 1 1 341.415 0.937 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC000938211623 609542764 /nfs/dbraw/zinc/54/27/64/609542764.db2.gz PWXNAMHYBJXMEE-ZDUSSCGKSA-N 1 1 330.388 0.480 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000938227311 609554695 /nfs/dbraw/zinc/55/46/95/609554695.db2.gz ZFKYCVMMMJKGRP-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCn1cc(CNC(=O)CCC[NH+]2CCN(C(C)C)CC2)cn1 ZINC000907790923 609622654 /nfs/dbraw/zinc/62/26/54/609622654.db2.gz RRQKJDKQGQWCBJ-UHFFFAOYSA-N 1 1 331.464 0.939 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908013166 609636778 /nfs/dbraw/zinc/63/67/78/609636778.db2.gz AGKNEWADQBRBEU-HOTGVXAUSA-N 1 1 349.456 0.972 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000908013166 609636780 /nfs/dbraw/zinc/63/67/80/609636780.db2.gz AGKNEWADQBRBEU-HOTGVXAUSA-N 1 1 349.456 0.972 20 30 ECEDMO C#CCCCc1nnc(N2CC[NH+](C(COC)COC)CC2)n1C ZINC000908530986 609655498 /nfs/dbraw/zinc/65/54/98/609655498.db2.gz HOTQLVPEAVVQKQ-UHFFFAOYSA-N 1 1 335.452 0.554 20 30 ECEDMO C#CCCCc1nnc(N2CC[NH+](CCc3cnccn3)CC2)n1C ZINC000908530050 609656539 /nfs/dbraw/zinc/65/65/39/609656539.db2.gz WWLLLNCVKLLSEU-UHFFFAOYSA-N 1 1 339.447 0.926 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCC[N@H+](C)CCO ZINC000919957008 609666435 /nfs/dbraw/zinc/66/64/35/609666435.db2.gz YLABZEJBAACYRU-UHFFFAOYSA-N 1 1 325.434 0.519 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCC[N@@H+](C)CCO ZINC000919957008 609666436 /nfs/dbraw/zinc/66/64/36/609666436.db2.gz YLABZEJBAACYRU-UHFFFAOYSA-N 1 1 325.434 0.519 20 30 ECEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920208789 609675144 /nfs/dbraw/zinc/67/51/44/609675144.db2.gz OCHGJZJLJRYQNM-ZDUSSCGKSA-N 1 1 344.415 0.706 20 30 ECEDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)N(C)CCC#N)C2 ZINC000920282509 609677980 /nfs/dbraw/zinc/67/79/80/609677980.db2.gz RBXMXBTXZONUIU-TUVASFSCSA-N 1 1 344.481 0.146 20 30 ECEDMO C#CCCCc1nnc(N2CC[NH+](CCOC)CC2)n1CCOC ZINC000909191657 609684919 /nfs/dbraw/zinc/68/49/19/609684919.db2.gz ZWKUWANBZSXQOJ-UHFFFAOYSA-N 1 1 335.452 0.649 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000933094094 611707423 /nfs/dbraw/zinc/70/74/23/611707423.db2.gz QGZPEKCMDHFUAP-CQSZACIVSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)C2CCC(C(=O)OC)CC2)CC1 ZINC000921436721 609716374 /nfs/dbraw/zinc/71/63/74/609716374.db2.gz AFNUCKXUNZGUDB-UHFFFAOYSA-N 1 1 342.461 0.735 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cccc3c2COC3=O)CC1 ZINC000921438850 609716553 /nfs/dbraw/zinc/71/65/53/609716553.db2.gz LDMQFDQGPOIYOC-UHFFFAOYSA-N 1 1 334.397 0.733 20 30 ECEDMO C=CCNc1ncc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)s1 ZINC000910413790 609720326 /nfs/dbraw/zinc/72/03/26/609720326.db2.gz UXWAYOBTKNHNOM-LLVKDONJSA-N 1 1 338.433 0.918 20 30 ECEDMO C=CCNc1ncc(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)s1 ZINC000910413790 609720328 /nfs/dbraw/zinc/72/03/28/609720328.db2.gz UXWAYOBTKNHNOM-LLVKDONJSA-N 1 1 338.433 0.918 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000947760829 609732454 /nfs/dbraw/zinc/73/24/54/609732454.db2.gz AFRSEHVHKWSHAU-UONOGXRCSA-N 1 1 348.447 0.633 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000938373870 609759811 /nfs/dbraw/zinc/75/98/11/609759811.db2.gz SIUNTCWCAJPXST-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C[C@H]1C ZINC000948017957 609766037 /nfs/dbraw/zinc/76/60/37/609766037.db2.gz YBKFLBFIJYTTDM-NEPJUHHUSA-N 1 1 327.812 0.857 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C[C@H]1C ZINC000948017957 609766039 /nfs/dbraw/zinc/76/60/39/609766039.db2.gz YBKFLBFIJYTTDM-NEPJUHHUSA-N 1 1 327.812 0.857 20 30 ECEDMO C#CCN(C(=O)C(=O)NC[C@@H]1CCN1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000910881990 609772451 /nfs/dbraw/zinc/77/24/51/609772451.db2.gz AEXHNSUVFQKPRR-INIZCTEOSA-N 1 1 348.491 0.531 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000938532942 609852021 /nfs/dbraw/zinc/85/20/21/609852021.db2.gz RFSGPKWXQXZYAL-KBPBESRZSA-N 1 1 346.435 0.089 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000938661510 609924768 /nfs/dbraw/zinc/92/47/68/609924768.db2.gz WMEZHCGSJBDZQO-HOTGVXAUSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000938661510 609924770 /nfs/dbraw/zinc/92/47/70/609924770.db2.gz WMEZHCGSJBDZQO-HOTGVXAUSA-N 1 1 328.416 0.785 20 30 ECEDMO CC[N@@H+](CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(C)C ZINC000916160553 609933274 /nfs/dbraw/zinc/93/32/74/609933274.db2.gz BCCJSMVNXUOUAN-UKRRQHHQSA-N 1 1 342.465 0.296 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000938703286 609951429 /nfs/dbraw/zinc/95/14/29/609951429.db2.gz WRCDPBCTMQUNDA-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C(C)(F)F)C1 ZINC000938756280 609982033 /nfs/dbraw/zinc/98/20/33/609982033.db2.gz LUBFISUHAONXAY-STQMWFEESA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C(C)(F)F)C1 ZINC000938756280 609982034 /nfs/dbraw/zinc/98/20/34/609982034.db2.gz LUBFISUHAONXAY-STQMWFEESA-N 1 1 327.375 0.799 20 30 ECEDMO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@@H+](C)C[C@@H]3CO)CC2)o1 ZINC000912740310 609996653 /nfs/dbraw/zinc/99/66/53/609996653.db2.gz UNNVPLKUUWIQMH-CQSZACIVSA-N 1 1 347.419 0.206 20 30 ECEDMO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@H+](C)C[C@@H]3CO)CC2)o1 ZINC000912740310 609996655 /nfs/dbraw/zinc/99/66/55/609996655.db2.gz UNNVPLKUUWIQMH-CQSZACIVSA-N 1 1 347.419 0.206 20 30 ECEDMO C#CCC1(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC1 ZINC000919060912 610029906 /nfs/dbraw/zinc/02/99/06/610029906.db2.gz PUBNQAFNEHSHPJ-INIZCTEOSA-N 1 1 334.464 0.638 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000938904046 610036199 /nfs/dbraw/zinc/03/61/99/610036199.db2.gz XHSAPEWIIGEGCX-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938904162 610036509 /nfs/dbraw/zinc/03/65/09/610036509.db2.gz ZPYJKVRMCSVPKN-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000939120805 610086282 /nfs/dbraw/zinc/08/62/82/610086282.db2.gz QNTKZGFZCRHNSN-WQVCFCJDSA-N 1 1 343.431 0.947 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000939934029 610170794 /nfs/dbraw/zinc/17/07/94/610170794.db2.gz HPCXRBDKHPMFDO-CQSZACIVSA-N 1 1 343.431 0.949 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000939934299 610171109 /nfs/dbraw/zinc/17/11/09/610171109.db2.gz NWVXHDUPXUQHRU-IJEWVQPXSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2oncc2C)C1 ZINC000939446622 610201368 /nfs/dbraw/zinc/20/13/68/610201368.db2.gz JTNNITRYEIYJMH-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2oncc2C)C1 ZINC000939446622 610201369 /nfs/dbraw/zinc/20/13/69/610201369.db2.gz JTNNITRYEIYJMH-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cccn2C)C1 ZINC000939458198 610206313 /nfs/dbraw/zinc/20/63/13/610206313.db2.gz GIPGURFXMDWSTA-ZBFHGGJFSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cccn2C)C1 ZINC000939458198 610206314 /nfs/dbraw/zinc/20/63/14/610206314.db2.gz GIPGURFXMDWSTA-ZBFHGGJFSA-N 1 1 328.416 0.453 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940100538 610212958 /nfs/dbraw/zinc/21/29/58/610212958.db2.gz GDCSGYOBCHGDQY-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccnn2CC)C1 ZINC000940156033 610224114 /nfs/dbraw/zinc/22/41/14/610224114.db2.gz CSHGGRRGSNHQMX-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccnn2CC)C1 ZINC000940156033 610224116 /nfs/dbraw/zinc/22/41/16/610224116.db2.gz CSHGGRRGSNHQMX-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC000940202444 610240402 /nfs/dbraw/zinc/24/04/02/610240402.db2.gz VIPULRKJRKQQKM-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC000940202444 610240403 /nfs/dbraw/zinc/24/04/03/610240403.db2.gz VIPULRKJRKQQKM-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000940295557 610261434 /nfs/dbraw/zinc/26/14/34/610261434.db2.gz YYKYKHZAABEXJD-UPJWGTAASA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000940295557 610261435 /nfs/dbraw/zinc/26/14/35/610261435.db2.gz YYKYKHZAABEXJD-UPJWGTAASA-N 1 1 325.359 0.456 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc(C)nc3OC)CC2)C1 ZINC000941431264 610312064 /nfs/dbraw/zinc/31/20/64/610312064.db2.gz MBPWBPATQBRLNC-UHFFFAOYSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)C1 ZINC000941456807 610319176 /nfs/dbraw/zinc/31/91/76/610319176.db2.gz TZNIMLYLQYXSMY-PKOBYXMFSA-N 1 1 344.503 0.855 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)C1 ZINC000941463261 610321591 /nfs/dbraw/zinc/32/15/91/610321591.db2.gz OTVHADZMYFXSKD-UHFFFAOYSA-N 1 1 340.427 0.251 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC000941475237 610331859 /nfs/dbraw/zinc/33/18/59/610331859.db2.gz JFNACHVRXINVPF-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC000941475237 610331860 /nfs/dbraw/zinc/33/18/60/610331860.db2.gz JFNACHVRXINVPF-KGLIPLIRSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC000941464962 610333760 /nfs/dbraw/zinc/33/37/60/610333760.db2.gz DIZNGDAFFLZTPH-INIZCTEOSA-N 1 1 346.406 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC000941464962 610333762 /nfs/dbraw/zinc/33/37/62/610333762.db2.gz DIZNGDAFFLZTPH-INIZCTEOSA-N 1 1 346.406 0.926 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(C)cc(=O)oc3C)CC2)C1 ZINC000941480387 610334930 /nfs/dbraw/zinc/33/49/30/610334930.db2.gz LLCFWMAIPHYWRW-UHFFFAOYSA-N 1 1 343.427 0.722 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccnc(OC)n3)CC2)C1 ZINC000941484151 610337275 /nfs/dbraw/zinc/33/72/75/610337275.db2.gz OLQIPCYNTSNIAV-UHFFFAOYSA-N 1 1 331.420 0.503 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(OC)n(C)n3)CC2)C1 ZINC000941479457 610341786 /nfs/dbraw/zinc/34/17/86/610341786.db2.gz DWRKXQVUKUMYCF-UHFFFAOYSA-N 1 1 333.436 0.447 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N[C@@H](CC)C3)CC2)C1 ZINC000941499628 610344250 /nfs/dbraw/zinc/34/42/50/610344250.db2.gz XTYZDGCQKZTNIE-CVEARBPZSA-N 1 1 346.475 0.143 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)C1 ZINC000941505644 610347762 /nfs/dbraw/zinc/34/77/62/610347762.db2.gz ARHPBNZNKFEEOZ-UHFFFAOYSA-N 1 1 331.464 0.594 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C ZINC000947895402 610362118 /nfs/dbraw/zinc/36/21/18/610362118.db2.gz MCRZNNYTBXTDTN-STQMWFEESA-N 1 1 336.436 0.862 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941531665 610362898 /nfs/dbraw/zinc/36/28/98/610362898.db2.gz CYVLEEXAIBEBBE-KRWDZBQOSA-N 1 1 332.492 0.570 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000940789223 610363015 /nfs/dbraw/zinc/36/30/15/610363015.db2.gz FDYMQQLCENNJBP-UHFFFAOYSA-N 1 1 340.387 0.766 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)CC2)C1 ZINC000941537361 610367087 /nfs/dbraw/zinc/36/70/87/610367087.db2.gz IWVSTVQTTDQJGZ-UHFFFAOYSA-N 1 1 342.403 0.292 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000942282882 610372040 /nfs/dbraw/zinc/37/20/40/610372040.db2.gz QGECETIGRHHVLQ-VKJFTORMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000942282882 610372043 /nfs/dbraw/zinc/37/20/43/610372043.db2.gz QGECETIGRHHVLQ-VKJFTORMSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941567281 610376921 /nfs/dbraw/zinc/37/69/21/610376921.db2.gz PZFCHWLJMCXQEO-CZUORRHYSA-N 1 1 340.899 0.765 20 30 ECEDMO C=CCN1CC(N2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CC2)C1 ZINC000941566377 610386276 /nfs/dbraw/zinc/38/62/76/610386276.db2.gz DOMRFLIXBGQQMW-INIZCTEOSA-N 1 1 343.475 0.768 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](C)C1 ZINC000942313405 610392784 /nfs/dbraw/zinc/39/27/84/610392784.db2.gz IWYILFJAZPMJRP-PWSUYJOCSA-N 1 1 340.811 0.528 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](C)C1 ZINC000942313405 610392786 /nfs/dbraw/zinc/39/27/86/610392786.db2.gz IWYILFJAZPMJRP-PWSUYJOCSA-N 1 1 340.811 0.528 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@H](C)n3ccnc3)CC2)C1 ZINC000941587837 610397392 /nfs/dbraw/zinc/39/73/92/610397392.db2.gz WIRMIGQJCYRVLI-INIZCTEOSA-N 1 1 329.448 0.686 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000940867461 610403534 /nfs/dbraw/zinc/40/35/34/610403534.db2.gz AYULSCMQBWSAEI-ZDUSSCGKSA-N 1 1 332.404 0.189 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(C)nc(C)n3)CC2)C1 ZINC000941605504 610404408 /nfs/dbraw/zinc/40/44/08/610404408.db2.gz LMGZJVIVNXWONI-UHFFFAOYSA-N 1 1 327.432 0.559 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)C1 ZINC000941614589 610410706 /nfs/dbraw/zinc/41/07/06/610410706.db2.gz FEGHQRKXCMSZPL-HOTGVXAUSA-N 1 1 348.491 0.790 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3nccn4cc(C)nc34)CC2)C1 ZINC000941634086 610419530 /nfs/dbraw/zinc/41/95/30/610419530.db2.gz DIQPBAHBNKKCCW-UHFFFAOYSA-N 1 1 340.431 0.666 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn(C(C)C)nn3)CC2)C1 ZINC000941620091 610425477 /nfs/dbraw/zinc/42/54/77/610425477.db2.gz ALDLUURMXYXYMV-UHFFFAOYSA-N 1 1 330.436 0.324 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](C)C1 ZINC000942394969 610429290 /nfs/dbraw/zinc/42/92/90/610429290.db2.gz VHSQRQDIJTZKHK-HUUCEWRRSA-N 1 1 348.447 0.906 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cn4ccccc4n3)CC2)C1 ZINC000941657117 610431258 /nfs/dbraw/zinc/43/12/58/610431258.db2.gz SXCJHGYJOPFQFW-UHFFFAOYSA-N 1 1 325.416 0.962 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000940917881 610440251 /nfs/dbraw/zinc/44/02/51/610440251.db2.gz DQVXIGUZKRZHRM-KGLIPLIRSA-N 1 1 343.418 0.802 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000941674602 610447571 /nfs/dbraw/zinc/44/75/71/610447571.db2.gz FFERZQDJENGWGG-HNNXBMFYSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C1 ZINC000941665340 610456706 /nfs/dbraw/zinc/45/67/06/610456706.db2.gz STJACMOADHLNLP-UHFFFAOYSA-N 1 1 338.415 0.423 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1NC(=O)C(N)=O ZINC000940996840 610476323 /nfs/dbraw/zinc/47/63/23/610476323.db2.gz IKMPJIVGZGHORD-AWEZNQCLSA-N 1 1 332.379 0.899 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)[C@@H](C)C1 ZINC000942526869 610498994 /nfs/dbraw/zinc/49/89/94/610498994.db2.gz CLLIVQOORIEZNP-ZFWWWQNUSA-N 1 1 327.388 0.993 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H](C)C1 ZINC000942527290 610499857 /nfs/dbraw/zinc/49/98/57/610499857.db2.gz KDVCTGWGSSVJNU-GXTWGEPZSA-N 1 1 341.415 0.795 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](C)C1 ZINC000942543037 610505950 /nfs/dbraw/zinc/50/59/50/610505950.db2.gz ODAGBBHIZBNPJO-HUUCEWRRSA-N 1 1 341.415 0.346 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](C)C1 ZINC000942546957 610506943 /nfs/dbraw/zinc/50/69/43/610506943.db2.gz CZVVFKJENXKGKS-DGCLKSJQSA-N 1 1 342.407 0.157 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562417 610518927 /nfs/dbraw/zinc/51/89/27/610518927.db2.gz LDKOIEOJMHCJGN-WFASDCNBSA-N 1 1 339.403 0.722 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000941102632 610536895 /nfs/dbraw/zinc/53/68/95/610536895.db2.gz CTDYULOBPAOQDR-ULQDDVLXSA-N 1 1 349.475 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2C)c1 ZINC000942617828 610539588 /nfs/dbraw/zinc/53/95/88/610539588.db2.gz SBZBVMUAOQCUBZ-CZUORRHYSA-N 1 1 328.416 0.591 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nc1 ZINC000941881920 610540821 /nfs/dbraw/zinc/54/08/21/610540821.db2.gz MPJVOJNAZBNWSA-GOEBONIOSA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000941162362 610570093 /nfs/dbraw/zinc/57/00/93/610570093.db2.gz ZIYQZBVZQWAIEG-CYBMUJFWSA-N 1 1 334.420 0.120 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000941231020 610602160 /nfs/dbraw/zinc/60/21/60/610602160.db2.gz LRHIKAMERSHWGP-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941227088 610610858 /nfs/dbraw/zinc/61/08/58/610610858.db2.gz ZZZRSAFZXLSLLV-NWDGAFQWSA-N 1 1 349.884 0.647 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941227088 610610859 /nfs/dbraw/zinc/61/08/59/610610859.db2.gz ZZZRSAFZXLSLLV-NWDGAFQWSA-N 1 1 349.884 0.647 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000941238007 610621925 /nfs/dbraw/zinc/62/19/25/610621925.db2.gz PLPROLXPHPEUGM-ZACQAIPSSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000941238007 610621927 /nfs/dbraw/zinc/62/19/27/610621927.db2.gz PLPROLXPHPEUGM-ZACQAIPSSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnnc(C)c2)C1 ZINC000941238059 610622054 /nfs/dbraw/zinc/62/20/54/610622054.db2.gz RKMGEUOVTWHZGK-CVEARBPZSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnnc(C)c2)C1 ZINC000941238059 610622057 /nfs/dbraw/zinc/62/20/57/610622057.db2.gz RKMGEUOVTWHZGK-CVEARBPZSA-N 1 1 341.415 0.213 20 30 ECEDMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000942796320 610625128 /nfs/dbraw/zinc/62/51/28/610625128.db2.gz AQXCYIWMTIITHO-HUUCEWRRSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942055827 610634388 /nfs/dbraw/zinc/63/43/88/610634388.db2.gz CJJPHNWDGVLZHZ-WBVHZDCISA-N 1 1 338.415 0.551 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942056238 610634442 /nfs/dbraw/zinc/63/44/42/610634442.db2.gz FLYSPUWFIDSLBP-BBRMVZONSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](C)C1 ZINC000942080377 610640931 /nfs/dbraw/zinc/64/09/31/610640931.db2.gz XTMFXBNGIAOZJG-UONOGXRCSA-N 1 1 332.452 0.821 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)[C@@H](C)C1 ZINC000942096595 610647937 /nfs/dbraw/zinc/64/79/37/610647937.db2.gz UNGLHSVSEBWSCF-XJKSGUPXSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC000941288052 610651865 /nfs/dbraw/zinc/65/18/65/610651865.db2.gz ZZMAKHMMDLILQH-BXWFABGCSA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC000941288052 610651867 /nfs/dbraw/zinc/65/18/67/610651867.db2.gz ZZMAKHMMDLILQH-BXWFABGCSA-N 1 1 345.443 0.181 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C2C[NH+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC000941349155 610685506 /nfs/dbraw/zinc/68/55/06/610685506.db2.gz VHKPDJWGNCERCL-CRAIPNDOSA-N 1 1 342.443 0.708 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H](C)C1 ZINC000942208476 610697348 /nfs/dbraw/zinc/69/73/48/610697348.db2.gz PKKGERBEWOAADQ-QWHCGFSZSA-N 1 1 330.392 0.946 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000941391321 610705698 /nfs/dbraw/zinc/70/56/98/610705698.db2.gz ZDRIUGLMEQOMOI-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408611 610722498 /nfs/dbraw/zinc/72/24/98/610722498.db2.gz NBAHOPNMVCUHNJ-ROUUACIJSA-N 1 1 344.503 0.713 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408609 610722506 /nfs/dbraw/zinc/72/25/06/610722506.db2.gz NBAHOPNMVCUHNJ-MSOLQXFVSA-N 1 1 344.503 0.713 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@@H]2C)nc1 ZINC000944191210 610775689 /nfs/dbraw/zinc/77/56/89/610775689.db2.gz ABYLZBMDJPKSII-BBRMVZONSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C[C@@H]2C)nc1 ZINC000944191210 610775692 /nfs/dbraw/zinc/77/56/92/610775692.db2.gz ABYLZBMDJPKSII-BBRMVZONSA-N 1 1 338.415 0.832 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 ZINC000944788561 610786748 /nfs/dbraw/zinc/78/67/48/610786748.db2.gz GHNXASSQLPPAJH-KOLCDFICSA-N 1 1 328.800 0.117 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 ZINC000944788561 610786749 /nfs/dbraw/zinc/78/67/49/610786749.db2.gz GHNXASSQLPPAJH-KOLCDFICSA-N 1 1 328.800 0.117 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)C1 ZINC000944932507 610848440 /nfs/dbraw/zinc/84/84/40/610848440.db2.gz ZSVUQBPUURFDFA-INIZCTEOSA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)C1 ZINC000944932507 610848441 /nfs/dbraw/zinc/84/84/41/610848441.db2.gz ZSVUQBPUURFDFA-INIZCTEOSA-N 1 1 345.443 0.181 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@@H]2C)nn1 ZINC000943480942 610868280 /nfs/dbraw/zinc/86/82/80/610868280.db2.gz HFPZKUAWIDYTRP-JSGCOSHPSA-N 1 1 344.423 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C[C@@H]2C)nn1 ZINC000943480942 610868282 /nfs/dbraw/zinc/86/82/82/610868282.db2.gz HFPZKUAWIDYTRP-JSGCOSHPSA-N 1 1 344.423 0.233 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000945030345 610887223 /nfs/dbraw/zinc/88/72/23/610887223.db2.gz JIJKQCZKMXSTIF-GJZGRUSLSA-N 1 1 332.448 0.939 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000944519471 610926365 /nfs/dbraw/zinc/92/63/65/610926365.db2.gz LBSRGGMNHOQELY-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H](C)C1 ZINC000943648050 610928022 /nfs/dbraw/zinc/92/80/22/610928022.db2.gz SAZBGDHLKRHUEL-IUODEOHRSA-N 1 1 341.415 0.795 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000943910402 611025293 /nfs/dbraw/zinc/02/52/93/611025293.db2.gz RMFSGLQZCYIOMP-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)/C(C)=C/C)CCO1 ZINC000944644238 611049591 /nfs/dbraw/zinc/04/95/91/611049591.db2.gz BVXMMSHNVPOGDW-ZGTFBXRNSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)/C(C)=C/C)CCO1 ZINC000944644238 611049595 /nfs/dbraw/zinc/04/95/95/611049595.db2.gz BVXMMSHNVPOGDW-ZGTFBXRNSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccco2)CCO1 ZINC000944647214 611056606 /nfs/dbraw/zinc/05/66/06/611056606.db2.gz MOQJCGXWUUVBAK-CABCVRRESA-N 1 1 345.399 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccco2)CCO1 ZINC000944647214 611056609 /nfs/dbraw/zinc/05/66/09/611056609.db2.gz MOQJCGXWUUVBAK-CABCVRRESA-N 1 1 345.399 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C=C(C)C)CCO1 ZINC000944649085 611057917 /nfs/dbraw/zinc/05/79/17/611057917.db2.gz ZSFRIEAGAKSCEK-CVEARBPZSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C=C(C)C)CCO1 ZINC000944649085 611057920 /nfs/dbraw/zinc/05/79/20/611057920.db2.gz ZSFRIEAGAKSCEK-CVEARBPZSA-N 1 1 333.432 0.394 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000944027948 611088645 /nfs/dbraw/zinc/08/86/45/611088645.db2.gz YKEOFTVAQOXDGI-ZIAGYGMSSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000944051715 611103372 /nfs/dbraw/zinc/10/33/72/611103372.db2.gz RKTSBTNKXQHZNQ-DAXOMENPSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1ccnc1 ZINC000944109990 611128243 /nfs/dbraw/zinc/12/82/43/611128243.db2.gz WCYIYJOGTNXNNX-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1ccnc1 ZINC000944109990 611128245 /nfs/dbraw/zinc/12/82/45/611128245.db2.gz WCYIYJOGTNXNNX-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)CC[C@@H]2C1 ZINC000946884738 611224784 /nfs/dbraw/zinc/22/47/84/611224784.db2.gz LDFLDWQXYOVMAZ-GASCZTMLSA-N 1 1 348.447 0.627 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC[C@@H]2C1 ZINC000946897330 611237938 /nfs/dbraw/zinc/23/79/38/611237938.db2.gz ZLACKBYQVANYJC-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO N#Cc1ccc([C@H](O)CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413097 611240678 /nfs/dbraw/zinc/24/06/78/611240678.db2.gz BLDCKKQSTFILNM-VQHPVUNQSA-N 1 1 342.399 0.459 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC[C@@H]2C1 ZINC000946915651 611258127 /nfs/dbraw/zinc/25/81/27/611258127.db2.gz PRIWMKSYWVEDSJ-QLFBSQMISA-N 1 1 333.432 0.786 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC[C@@H]2C1 ZINC000946915688 611258180 /nfs/dbraw/zinc/25/81/80/611258180.db2.gz RDUPXTIPEBNWBG-QLFBSQMISA-N 1 1 331.416 0.233 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nnn(-c3cnn(C)c3)c2C)C1 ZINC000923558198 611262611 /nfs/dbraw/zinc/26/26/11/611262611.db2.gz XPZVQGIOYLFFMT-CYBMUJFWSA-N 1 1 327.392 0.137 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nnn(-c3cnn(C)c3)c2C)C1 ZINC000923558198 611262612 /nfs/dbraw/zinc/26/26/12/611262612.db2.gz XPZVQGIOYLFFMT-CYBMUJFWSA-N 1 1 327.392 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000923565518 611264163 /nfs/dbraw/zinc/26/41/63/611264163.db2.gz HVSUHENQSXBICE-OAHLLOKOSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000923565518 611264164 /nfs/dbraw/zinc/26/41/64/611264164.db2.gz HVSUHENQSXBICE-OAHLLOKOSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000923573835 611267060 /nfs/dbraw/zinc/26/70/60/611267060.db2.gz BZAJPCSPZJFXGI-VLUKHXRESA-N 1 1 330.388 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000923573835 611267062 /nfs/dbraw/zinc/26/70/62/611267062.db2.gz BZAJPCSPZJFXGI-VLUKHXRESA-N 1 1 330.388 0.117 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc(C(N)=O)c3ccccc32)C1 ZINC000923581926 611269575 /nfs/dbraw/zinc/26/95/75/611269575.db2.gz MFGRFVRMWAJODR-CQSZACIVSA-N 1 1 338.411 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc(C(N)=O)c3ccccc32)C1 ZINC000923581926 611269576 /nfs/dbraw/zinc/26/95/76/611269576.db2.gz MFGRFVRMWAJODR-CQSZACIVSA-N 1 1 338.411 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000923588637 611269876 /nfs/dbraw/zinc/26/98/76/611269876.db2.gz KDIWXJVWAPRUAP-INIZCTEOSA-N 1 1 327.432 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000923588637 611269878 /nfs/dbraw/zinc/26/98/78/611269878.db2.gz KDIWXJVWAPRUAP-INIZCTEOSA-N 1 1 327.432 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)C1 ZINC000923589998 611270371 /nfs/dbraw/zinc/27/03/71/611270371.db2.gz OLECMWXOEFXVHW-ZDUSSCGKSA-N 1 1 340.387 0.504 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)C1 ZINC000923589998 611270372 /nfs/dbraw/zinc/27/03/72/611270372.db2.gz OLECMWXOEFXVHW-ZDUSSCGKSA-N 1 1 340.387 0.504 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000923590955 611271083 /nfs/dbraw/zinc/27/10/83/611271083.db2.gz JIKYYKKUXLRTPH-CYBMUJFWSA-N 1 1 334.420 0.311 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000923590955 611271084 /nfs/dbraw/zinc/27/10/84/611271084.db2.gz JIKYYKKUXLRTPH-CYBMUJFWSA-N 1 1 334.420 0.311 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000923593260 611272041 /nfs/dbraw/zinc/27/20/41/611272041.db2.gz MRFVVTDWGBIHBF-OAHLLOKOSA-N 1 1 335.429 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000923593260 611272043 /nfs/dbraw/zinc/27/20/43/611272043.db2.gz MRFVVTDWGBIHBF-OAHLLOKOSA-N 1 1 335.429 0.886 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)CC(=O)N2CCOCC2)cc1 ZINC000929226520 611293133 /nfs/dbraw/zinc/29/31/33/611293133.db2.gz ZZCLLJDWJFFRLF-UHFFFAOYSA-N 1 1 329.400 0.787 20 30 ECEDMO C[C@@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)c2nccn21 ZINC000834925448 611305444 /nfs/dbraw/zinc/30/54/44/611305444.db2.gz NXSUBKOHVGKVAQ-GFCCVEGCSA-N 1 1 336.465 0.738 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)o1 ZINC000921910371 611325396 /nfs/dbraw/zinc/32/53/96/611325396.db2.gz IHHZEONALDOUJG-LBPRGKRZSA-N 1 1 325.390 0.683 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)o1 ZINC000921910371 611325397 /nfs/dbraw/zinc/32/53/97/611325397.db2.gz IHHZEONALDOUJG-LBPRGKRZSA-N 1 1 325.390 0.683 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921912241 611326330 /nfs/dbraw/zinc/32/63/30/611326330.db2.gz WRMNSFXSHHOHGK-CQSZACIVSA-N 1 1 330.454 0.310 20 30 ECEDMO C[N@@H+](CCNC(=O)c1ccc(C2(C#N)CC2)cc1)CCOCCO ZINC000922116688 611336724 /nfs/dbraw/zinc/33/67/24/611336724.db2.gz CYLOUOFLOWDGOG-UHFFFAOYSA-N 1 1 331.416 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccns2)CC1 ZINC000946960253 611345382 /nfs/dbraw/zinc/34/53/82/611345382.db2.gz CVFAMJZHTUYINJ-AWEZNQCLSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccns2)CC1 ZINC000946960253 611345384 /nfs/dbraw/zinc/34/53/84/611345384.db2.gz CVFAMJZHTUYINJ-AWEZNQCLSA-N 1 1 346.456 0.962 20 30 ECEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929395390 611750283 /nfs/dbraw/zinc/75/02/83/611750283.db2.gz QZDSYWTVTQMTOS-MSOLQXFVSA-N 1 1 334.416 0.909 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)C1=O ZINC000933835192 611752167 /nfs/dbraw/zinc/75/21/67/611752167.db2.gz POOHSXUEUDGIJT-KSSFIOAISA-N 1 1 336.432 0.944 20 30 ECEDMO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000948963022 611773894 /nfs/dbraw/zinc/77/38/94/611773894.db2.gz VHARGOMXWYOGLI-IKGGRYGDSA-N 1 1 325.412 0.847 20 30 ECEDMO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000948963022 611773896 /nfs/dbraw/zinc/77/38/96/611773896.db2.gz VHARGOMXWYOGLI-IKGGRYGDSA-N 1 1 325.412 0.847 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)C1(O)CCCC1 ZINC000929824475 611797595 /nfs/dbraw/zinc/79/75/95/611797595.db2.gz LIHFHVFTXXDRDA-DZGCQCFKSA-N 1 1 331.420 0.525 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)C1(O)CCCC1 ZINC000929824475 611797597 /nfs/dbraw/zinc/79/75/97/611797597.db2.gz LIHFHVFTXXDRDA-DZGCQCFKSA-N 1 1 331.420 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1=COCCC1 ZINC000949070129 611841384 /nfs/dbraw/zinc/84/13/84/611841384.db2.gz XBVRHIOKKPFKQO-CVEARBPZSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1=COCCC1 ZINC000949070129 611841386 /nfs/dbraw/zinc/84/13/86/611841386.db2.gz XBVRHIOKKPFKQO-CVEARBPZSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccnn1CC ZINC000950755644 611891353 /nfs/dbraw/zinc/89/13/53/611891353.db2.gz QOAZVRDPSMRREI-GJZGRUSLSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccnn1CC ZINC000950755644 611891354 /nfs/dbraw/zinc/89/13/54/611891354.db2.gz QOAZVRDPSMRREI-GJZGRUSLSA-N 1 1 343.431 0.331 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)cn1 ZINC000949184464 611893011 /nfs/dbraw/zinc/89/30/11/611893011.db2.gz MPNAGQCNOZAFNM-UKPHBRMFSA-N 1 1 340.427 0.591 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950761756 611895142 /nfs/dbraw/zinc/89/51/42/611895142.db2.gz NGMQGEZWNRFDQV-IRXDYDNUSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950761756 611895143 /nfs/dbraw/zinc/89/51/43/611895143.db2.gz NGMQGEZWNRFDQV-IRXDYDNUSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[NH+]1CCC2(CC1)CN(C(=O)c1c[nH]c(C)cc1=O)CCO2 ZINC000949220745 611906054 /nfs/dbraw/zinc/90/60/54/611906054.db2.gz MIAAWKUWQDGFTB-UHFFFAOYSA-N 1 1 329.400 0.624 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000950229857 611914243 /nfs/dbraw/zinc/91/42/43/611914243.db2.gz FJWNMZXKFONTQS-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000950234041 611919279 /nfs/dbraw/zinc/91/92/79/611919279.db2.gz LWJPAKHJLUNWRX-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298031 611931243 /nfs/dbraw/zinc/93/12/43/611931243.db2.gz HTZMPMLCXYQTMA-SMDDNHRTSA-N 1 1 340.387 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc[nH]c1C ZINC000949305371 611933555 /nfs/dbraw/zinc/93/35/55/611933555.db2.gz PPTGYOTVKAVYLZ-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc[nH]c1C ZINC000949305371 611933557 /nfs/dbraw/zinc/93/35/57/611933557.db2.gz PPTGYOTVKAVYLZ-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950862878 611951525 /nfs/dbraw/zinc/95/15/25/611951525.db2.gz NGZFDXAJDXQUDI-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949395645 611963536 /nfs/dbraw/zinc/96/35/36/611963536.db2.gz XQOURJDOFKYURT-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949395645 611963537 /nfs/dbraw/zinc/96/35/37/611963537.db2.gz XQOURJDOFKYURT-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)cn3)CC2)C1 ZINC000949418841 611972401 /nfs/dbraw/zinc/97/24/01/611972401.db2.gz GXMWTQIZPNZVFR-UHFFFAOYSA-N 1 1 346.431 0.663 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)C1 ZINC000949429672 611976821 /nfs/dbraw/zinc/97/68/21/611976821.db2.gz BINWVSYPCJLTCQ-CABCVRRESA-N 1 1 333.432 0.215 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)C1 ZINC000949429672 611976823 /nfs/dbraw/zinc/97/68/23/611976823.db2.gz BINWVSYPCJLTCQ-CABCVRRESA-N 1 1 333.432 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C ZINC000950909827 611979125 /nfs/dbraw/zinc/97/91/25/611979125.db2.gz CSOLAOOCLDYEBF-KFWWJZLASA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C ZINC000950909827 611979127 /nfs/dbraw/zinc/97/91/27/611979127.db2.gz CSOLAOOCLDYEBF-KFWWJZLASA-N 1 1 343.431 0.094 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1)C1CCC1 ZINC000949449582 611984739 /nfs/dbraw/zinc/98/47/39/611984739.db2.gz PRGMJWQWRKDKSZ-AWEZNQCLSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000949451786 611985610 /nfs/dbraw/zinc/98/56/10/611985610.db2.gz ARLRJQQDGUNANU-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 ZINC000949458582 611988359 /nfs/dbraw/zinc/98/83/59/611988359.db2.gz IQIIWKNOTHXVDN-KRWDZBQOSA-N 1 1 335.448 0.925 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468790 611990627 /nfs/dbraw/zinc/99/06/27/611990627.db2.gz MFWXRBUEOSYALP-HNNXBMFYSA-N 1 1 335.448 0.925 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468790 611990629 /nfs/dbraw/zinc/99/06/29/611990629.db2.gz MFWXRBUEOSYALP-HNNXBMFYSA-N 1 1 335.448 0.925 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000949490421 612003421 /nfs/dbraw/zinc/00/34/21/612003421.db2.gz AFFWKCPQHNAHFL-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498573 612008499 /nfs/dbraw/zinc/00/84/99/612008499.db2.gz TVLTZALYCBUCPK-DOMZBBRYSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC000949501546 612010190 /nfs/dbraw/zinc/01/01/90/612010190.db2.gz WZLZGWHBYFUXQV-UHFFFAOYSA-N 1 1 344.415 0.444 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949502241 612010726 /nfs/dbraw/zinc/01/07/26/612010726.db2.gz KLLMZPRIQIOBMO-CQSZACIVSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)Cc2ccn[nH]2)CC1 ZINC000950428044 612015016 /nfs/dbraw/zinc/01/50/16/612015016.db2.gz GHGFJZNMAYCSTP-MRXNPFEDSA-N 1 1 343.431 0.015 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC000949523579 612019444 /nfs/dbraw/zinc/01/94/44/612019444.db2.gz UAAJKGJYYOSQSY-UHFFFAOYSA-N 1 1 346.431 0.663 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950481645 612035243 /nfs/dbraw/zinc/03/52/43/612035243.db2.gz DRSHPANKKYCSIS-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000949741923 612071637 /nfs/dbraw/zinc/07/16/37/612071637.db2.gz MISWBPDODWDHKJ-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000951223662 612088336 /nfs/dbraw/zinc/08/83/36/612088336.db2.gz MXKOZRSPEUTTDG-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000951223662 612088337 /nfs/dbraw/zinc/08/83/37/612088337.db2.gz MXKOZRSPEUTTDG-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2conc2C)C1 ZINC000951223753 612088358 /nfs/dbraw/zinc/08/83/58/612088358.db2.gz PCQIRTFJGVZSSF-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2conc2C)C1 ZINC000951223753 612088361 /nfs/dbraw/zinc/08/83/61/612088361.db2.gz PCQIRTFJGVZSSF-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000952786700 612101048 /nfs/dbraw/zinc/10/10/48/612101048.db2.gz NQMJZGSYWGESNJ-ZVDSWSACSA-N 1 1 348.447 0.457 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000952786700 612101050 /nfs/dbraw/zinc/10/10/50/612101050.db2.gz NQMJZGSYWGESNJ-ZVDSWSACSA-N 1 1 348.447 0.457 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000951957541 612152669 /nfs/dbraw/zinc/15/26/69/612152669.db2.gz CDTZNYWTJIFDFR-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1conc1CC ZINC000951987390 612167393 /nfs/dbraw/zinc/16/73/93/612167393.db2.gz HMVIHLQHYWLRQE-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1conc1CC ZINC000951987390 612167396 /nfs/dbraw/zinc/16/73/96/612167396.db2.gz HMVIHLQHYWLRQE-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000952014376 612177113 /nfs/dbraw/zinc/17/71/13/612177113.db2.gz KOEZDDXTTMNTAM-XOKHGSTOSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000952014457 612177222 /nfs/dbraw/zinc/17/72/22/612177222.db2.gz MLANTOOIFHTAFD-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000952014458 612177355 /nfs/dbraw/zinc/17/73/55/612177355.db2.gz MLANTOOIFHTAFD-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC000953137782 612178183 /nfs/dbraw/zinc/17/81/83/612178183.db2.gz KVRDHBFDBVAXJN-VQIMIIECSA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC000953137782 612178184 /nfs/dbraw/zinc/17/81/84/612178184.db2.gz KVRDHBFDBVAXJN-VQIMIIECSA-N 1 1 345.443 0.181 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000951375174 612190754 /nfs/dbraw/zinc/19/07/54/612190754.db2.gz VOMQPTMENDZFBG-AWEZNQCLSA-N 1 1 340.387 0.812 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCCC[N@@H+]2C)nc1 ZINC000951377008 612193421 /nfs/dbraw/zinc/19/34/21/612193421.db2.gz NQDIPLPARQKOPY-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000952034651 612193539 /nfs/dbraw/zinc/19/35/39/612193539.db2.gz OJIDSZUSDCQRCC-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cn2c[nH+]cc2C)cn1 ZINC000951386025 612199213 /nfs/dbraw/zinc/19/92/13/612199213.db2.gz RWQOHDRCNIUMLU-INIZCTEOSA-N 1 1 337.383 0.599 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000951387310 612199596 /nfs/dbraw/zinc/19/95/96/612199596.db2.gz AQRJIBAKGRSHLB-ZBFHGGJFSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000951387310 612199597 /nfs/dbraw/zinc/19/95/97/612199597.db2.gz AQRJIBAKGRSHLB-ZBFHGGJFSA-N 1 1 346.406 0.972 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000951491346 612267962 /nfs/dbraw/zinc/26/79/62/612267962.db2.gz CHDLWZNBFRCBQW-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCOC2)C1 ZINC000953880228 612385735 /nfs/dbraw/zinc/38/57/35/612385735.db2.gz JDDULNUIHGQMKA-HOCLYGCPSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCOC2)C1 ZINC000953880228 612385737 /nfs/dbraw/zinc/38/57/37/612385737.db2.gz JDDULNUIHGQMKA-HOCLYGCPSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(=O)[nH]c2)C1 ZINC000955298780 612416365 /nfs/dbraw/zinc/41/63/65/612416365.db2.gz JRHQMEWFTXXXQB-HNNXBMFYSA-N 1 1 342.399 0.168 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(=O)[nH]c2)C1 ZINC000955298780 612416370 /nfs/dbraw/zinc/41/63/70/612416370.db2.gz JRHQMEWFTXXXQB-HNNXBMFYSA-N 1 1 342.399 0.168 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000955337340 612456166 /nfs/dbraw/zinc/45/61/66/612456166.db2.gz JTZCBZNVVQUPRY-GFCCVEGCSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000955339708 612460037 /nfs/dbraw/zinc/46/00/37/612460037.db2.gz KQOAQLMSABQIGZ-RDJZCZTQSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(CC)n[nH]2)C1 ZINC000954630865 612468063 /nfs/dbraw/zinc/46/80/63/612468063.db2.gz MZPXSZOJNQBOAE-INIZCTEOSA-N 1 1 343.431 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(CC)n[nH]2)C1 ZINC000954630865 612468068 /nfs/dbraw/zinc/46/80/68/612468068.db2.gz MZPXSZOJNQBOAE-INIZCTEOSA-N 1 1 343.431 0.353 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC2CCOCC2)C1 ZINC000954631297 612469236 /nfs/dbraw/zinc/46/92/36/612469236.db2.gz VDHHZTHGFXZDOK-KRWDZBQOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC2CCOCC2)C1 ZINC000954631297 612469240 /nfs/dbraw/zinc/46/92/40/612469240.db2.gz VDHHZTHGFXZDOK-KRWDZBQOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)[nH]n2)C1 ZINC000954631503 612470023 /nfs/dbraw/zinc/47/00/23/612470023.db2.gz YTVXCTFXYJCVBN-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)n[nH]2)C1 ZINC000954631503 612470027 /nfs/dbraw/zinc/47/00/27/612470027.db2.gz YTVXCTFXYJCVBN-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)n[nH]2)C1 ZINC000954631503 612470031 /nfs/dbraw/zinc/47/00/31/612470031.db2.gz YTVXCTFXYJCVBN-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)[nH]n2)C1 ZINC000954631503 612470035 /nfs/dbraw/zinc/47/00/35/612470035.db2.gz YTVXCTFXYJCVBN-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)[nH]n2)C1 ZINC000954631503 612470039 /nfs/dbraw/zinc/47/00/39/612470039.db2.gz YTVXCTFXYJCVBN-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCOC2)C1 ZINC000954631330 612470591 /nfs/dbraw/zinc/47/05/91/612470591.db2.gz WVRYAERAHBJHCU-HOCLYGCPSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCOC2)C1 ZINC000954631330 612470597 /nfs/dbraw/zinc/47/05/97/612470597.db2.gz WVRYAERAHBJHCU-HOCLYGCPSA-N 1 1 333.432 0.180 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000955347443 612477365 /nfs/dbraw/zinc/47/73/65/612477365.db2.gz UOFPGHSBFQNHRO-LBPRGKRZSA-N 1 1 345.403 0.713 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000955364901 612503204 /nfs/dbraw/zinc/50/32/04/612503204.db2.gz WRSAOIHNEQCWOX-GJYPPUQNSA-N 1 1 347.459 0.733 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000956777412 612520192 /nfs/dbraw/zinc/52/01/92/612520192.db2.gz XRUZXMBTLHSSTD-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953998411 612536463 /nfs/dbraw/zinc/53/64/63/612536463.db2.gz ZITOLGXHYNKLAD-FZMZJTMJSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956802332 612565211 /nfs/dbraw/zinc/56/52/11/612565211.db2.gz KZZLBQZCMSSHPI-UGSOOPFHSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956802331 612565770 /nfs/dbraw/zinc/56/57/70/612565770.db2.gz KZZLBQZCMSSHPI-SCLBCKFNSA-N 1 1 343.431 0.949 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956842857 612617487 /nfs/dbraw/zinc/61/74/87/612617487.db2.gz MYXVUXMSLOKMCJ-QGZVFWFLSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2ccc(C)o2)C1 ZINC000954093410 612651052 /nfs/dbraw/zinc/65/10/52/612651052.db2.gz AEJWCPAOSFDEOQ-KRWDZBQOSA-N 1 1 343.427 0.897 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2ccc(C)o2)C1 ZINC000954093410 612651058 /nfs/dbraw/zinc/65/10/58/612651058.db2.gz AEJWCPAOSFDEOQ-KRWDZBQOSA-N 1 1 343.427 0.897 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000954109910 612674242 /nfs/dbraw/zinc/67/42/42/612674242.db2.gz JUTUOBSKDQQZFZ-IAQYHMDHSA-N 1 1 329.404 0.509 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=CCOCC1 ZINC000956073024 612676632 /nfs/dbraw/zinc/67/66/32/612676632.db2.gz KTKQKMAPXMRXTA-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1=CCOCC1 ZINC000956073024 612676634 /nfs/dbraw/zinc/67/66/34/612676634.db2.gz KTKQKMAPXMRXTA-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000954840877 612736812 /nfs/dbraw/zinc/73/68/12/612736812.db2.gz SWWXAZIRHALIQC-ZDUSSCGKSA-N 1 1 346.435 0.089 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956226652 612788129 /nfs/dbraw/zinc/78/81/29/612788129.db2.gz UIHSAUCGYPEIEW-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC23CCC3)C1 ZINC000954286617 612823574 /nfs/dbraw/zinc/82/35/74/612823574.db2.gz GKZWUGQJEMAXDI-HOTGVXAUSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC23CCC3)C1 ZINC000954286617 612823575 /nfs/dbraw/zinc/82/35/75/612823575.db2.gz GKZWUGQJEMAXDI-HOTGVXAUSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c(C)cnn2C)C1 ZINC000955039263 612866453 /nfs/dbraw/zinc/86/64/53/612866453.db2.gz ODZWUXAYFACDBS-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c(C)cnn2C)C1 ZINC000955039263 612866454 /nfs/dbraw/zinc/86/64/54/612866454.db2.gz ODZWUXAYFACDBS-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000954412107 612897068 /nfs/dbraw/zinc/89/70/68/612897068.db2.gz BHWJSSAFVDZETO-GOEBONIOSA-N 1 1 343.431 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CCN(C(C)=O)CC2 ZINC000956522080 612910463 /nfs/dbraw/zinc/91/04/63/612910463.db2.gz OQTPAQAQTVKTKY-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CCN(C(C)=O)CC2 ZINC000956522080 612910464 /nfs/dbraw/zinc/91/04/64/612910464.db2.gz OQTPAQAQTVKTKY-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3cnc(C#N)c(C#N)n3)CC[C@H]2C1 ZINC001164853778 720879884 /nfs/dbraw/zinc/87/98/84/720879884.db2.gz CTSSURGWARGHSP-BBRMVZONSA-N 1 1 342.403 0.393 20 30 ECEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164935488 721886876 /nfs/dbraw/zinc/88/68/76/721886876.db2.gz WZIUALUNPDKCGO-JKSUJKDBSA-N 1 1 343.431 0.954 20 30 ECEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164935488 721886877 /nfs/dbraw/zinc/88/68/77/721886877.db2.gz WZIUALUNPDKCGO-JKSUJKDBSA-N 1 1 343.431 0.954 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC001041786248 782203414 /nfs/dbraw/zinc/20/34/14/782203414.db2.gz TWYDLBSXIJNXDV-SFHVURJKSA-N 1 1 339.399 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC(C)(C)O)[C@@H]2C1 ZINC000971971869 735455817 /nfs/dbraw/zinc/45/58/17/735455817.db2.gz REBXNPBWVTXUBP-OWCLPIDISA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC(C)(C)O)[C@@H]2C1 ZINC000971971869 735455818 /nfs/dbraw/zinc/45/58/18/735455818.db2.gz REBXNPBWVTXUBP-OWCLPIDISA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC000971996832 735481593 /nfs/dbraw/zinc/48/15/93/735481593.db2.gz ICJGSLHXFUMLTB-BBWFWOEESA-N 1 1 335.448 0.032 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Cc3cnn(C)c3)[C@H]2C1 ZINC001083235929 735496269 /nfs/dbraw/zinc/49/62/69/735496269.db2.gz CLUOGQDHLPJXRO-HYVNUMGLSA-N 1 1 330.432 0.534 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Cc3cnn(C)c3)[C@H]2C1 ZINC001083235929 735496272 /nfs/dbraw/zinc/49/62/72/735496272.db2.gz CLUOGQDHLPJXRO-HYVNUMGLSA-N 1 1 330.432 0.534 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@H]2C1 ZINC001083236300 735502296 /nfs/dbraw/zinc/50/22/96/735502296.db2.gz UWXFNKVPIUUADN-CWRNSKLLSA-N 1 1 347.419 0.026 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@H]2C1 ZINC001083236300 735502298 /nfs/dbraw/zinc/50/22/98/735502298.db2.gz UWXFNKVPIUUADN-CWRNSKLLSA-N 1 1 347.419 0.026 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cncn4)n3)[C@H]2C1 ZINC001083236661 735510450 /nfs/dbraw/zinc/51/04/50/735510450.db2.gz PAUHGMBYKVTMHH-LSDHHAIUSA-N 1 1 340.387 0.374 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cncn4)n3)[C@H]2C1 ZINC001083236661 735510452 /nfs/dbraw/zinc/51/04/52/735510452.db2.gz PAUHGMBYKVTMHH-LSDHHAIUSA-N 1 1 340.387 0.374 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+](CC(=O)NC)C3)C2)nc1 ZINC001041791407 782216876 /nfs/dbraw/zinc/21/68/76/782216876.db2.gz KXSIKOQDZVNFLA-SFHVURJKSA-N 1 1 326.400 0.347 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(COC)o2)[C@@H](n2ccnn2)C1 ZINC001069974969 790267840 /nfs/dbraw/zinc/26/78/40/790267840.db2.gz ZEBDIMHZLUATBP-CABCVRRESA-N 1 1 343.387 0.696 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(COC)o2)[C@@H](n2ccnn2)C1 ZINC001069974969 790267842 /nfs/dbraw/zinc/26/78/42/790267842.db2.gz ZEBDIMHZLUATBP-CABCVRRESA-N 1 1 343.387 0.696 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](CC)C(N)=O)C3)C2)nc1 ZINC001041793072 782220463 /nfs/dbraw/zinc/22/04/63/782220463.db2.gz CSTVKEKHADSZML-VQIMIIECSA-N 1 1 340.427 0.865 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3snnc3C)C2)C1=O ZINC000969279630 731669530 /nfs/dbraw/zinc/66/95/30/731669530.db2.gz AYPUOVWYTWYJDY-GWCFXTLKSA-N 1 1 349.460 0.684 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000969302790 731693686 /nfs/dbraw/zinc/69/36/86/731693686.db2.gz FWSYEGDBTGVNRL-ARILJUKYSA-N 1 1 334.420 0.067 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000969302790 731693687 /nfs/dbraw/zinc/69/36/87/731693687.db2.gz FWSYEGDBTGVNRL-ARILJUKYSA-N 1 1 334.420 0.067 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC000969326112 731720934 /nfs/dbraw/zinc/72/09/34/731720934.db2.gz DSCWVTSEOVYCGL-BLLLJJGKSA-N 1 1 345.447 0.809 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001211497247 731731879 /nfs/dbraw/zinc/73/18/79/731731879.db2.gz CVKPOJVVFSNULB-IJEWVQPXSA-N 1 1 335.448 0.235 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001211497247 731731881 /nfs/dbraw/zinc/73/18/81/731731881.db2.gz CVKPOJVVFSNULB-IJEWVQPXSA-N 1 1 335.448 0.235 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cncnc3C)C2)C1=O ZINC000969345683 731740550 /nfs/dbraw/zinc/74/05/50/731740550.db2.gz NBHMSLNVPNUDLH-WBMJQRKESA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC000969352506 731749963 /nfs/dbraw/zinc/74/99/63/731749963.db2.gz TZVYSTDOTRTSQZ-WFASDCNBSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC000969354260 731751889 /nfs/dbraw/zinc/75/18/89/731751889.db2.gz BGQHGJZVVLRQGV-CJNGLKHVSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC000969354259 731752033 /nfs/dbraw/zinc/75/20/33/731752033.db2.gz BGQHGJZVVLRQGV-BBRMVZONSA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969408956 731812916 /nfs/dbraw/zinc/81/29/16/731812916.db2.gz AGIMBORJRAQIKH-QMTHXVAHSA-N 1 1 332.429 0.835 20 30 ECEDMO CCOCC(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001111963856 738556312 /nfs/dbraw/zinc/55/63/12/738556312.db2.gz YIUKLMGBSHBRLJ-MRXNPFEDSA-N 1 1 343.431 0.713 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3nccn3CC)C2)C1=O ZINC000969578170 731983808 /nfs/dbraw/zinc/98/38/08/731983808.db2.gz HSCUPIQTHUOAFA-HIFRSBDPSA-N 1 1 345.447 0.740 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1 ZINC000969625043 732007258 /nfs/dbraw/zinc/00/72/58/732007258.db2.gz HQDNVJLYWOQNQJ-CYBMUJFWSA-N 1 1 329.339 0.225 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969683844 732046252 /nfs/dbraw/zinc/04/62/52/732046252.db2.gz GELLGIUAHFNOPO-BMFZPTHFSA-N 1 1 335.448 0.636 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@H](C)C#N)C3)C1 ZINC000969694550 732054209 /nfs/dbraw/zinc/05/42/09/732054209.db2.gz KGEVRHXSFDZHML-WCVJEAGWSA-N 1 1 348.447 0.457 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@H](C)C#N)C3)C1 ZINC000969694550 732054214 /nfs/dbraw/zinc/05/42/14/732054214.db2.gz KGEVRHXSFDZHML-WCVJEAGWSA-N 1 1 348.447 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000973057377 738593416 /nfs/dbraw/zinc/59/34/16/738593416.db2.gz XBQXYQBXYACRSK-VGWMRTNUSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000973057377 738593420 /nfs/dbraw/zinc/59/34/20/738593420.db2.gz XBQXYQBXYACRSK-VGWMRTNUSA-N 1 1 333.432 0.417 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)C1 ZINC000969817479 732408235 /nfs/dbraw/zinc/40/82/35/732408235.db2.gz KXWMUIZPEQBMFB-APIJFGDWSA-N 1 1 334.420 0.069 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)C1 ZINC000969817479 732408237 /nfs/dbraw/zinc/40/82/37/732408237.db2.gz KXWMUIZPEQBMFB-APIJFGDWSA-N 1 1 334.420 0.069 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ncccn2)C1 ZINC000969870410 732468447 /nfs/dbraw/zinc/46/84/47/732468447.db2.gz XNKVHTHGGDAYCE-ZBFHGGJFSA-N 1 1 327.432 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ncccn2)C1 ZINC000969870410 732468450 /nfs/dbraw/zinc/46/84/50/732468450.db2.gz XNKVHTHGGDAYCE-ZBFHGGJFSA-N 1 1 327.432 0.511 20 30 ECEDMO C=C(Cl)CN1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083193043 732474903 /nfs/dbraw/zinc/47/49/03/732474903.db2.gz ZCAQDMDEPZKJAD-AEGPPILISA-N 1 1 327.856 0.992 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3nn(CC)nc3C)C2)c1 ZINC000969892005 732488374 /nfs/dbraw/zinc/48/83/74/732488374.db2.gz PVSJLUFNOROPQR-MRXNPFEDSA-N 1 1 338.415 0.987 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 ZINC000969896313 732496790 /nfs/dbraw/zinc/49/67/90/732496790.db2.gz NKIPMFOEXSYRDW-ZACQAIPSSA-N 1 1 347.459 0.210 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001041821568 782270858 /nfs/dbraw/zinc/27/08/58/782270858.db2.gz GPQALBZMYPNZEF-QGZVFWFLSA-N 1 1 329.404 0.690 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3-n3cnnn3)C2)C1 ZINC001041822201 782273240 /nfs/dbraw/zinc/27/32/40/782273240.db2.gz PSKYZDSPANZWDL-SFHVURJKSA-N 1 1 336.399 0.834 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC001041829637 782292064 /nfs/dbraw/zinc/29/20/64/782292064.db2.gz ZYTBOAQNTCDBAX-KRWDZBQOSA-N 1 1 326.404 0.777 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1 ZINC001098528755 732891743 /nfs/dbraw/zinc/89/17/43/732891743.db2.gz OUFOEVONZAXAOP-OAHLLOKOSA-N 1 1 335.448 0.163 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)C[N@@H+](C)C1CCC1 ZINC001125320251 732949792 /nfs/dbraw/zinc/94/97/92/732949792.db2.gz GQQVSRVWHWGAND-HNNXBMFYSA-N 1 1 346.435 0.088 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@H](C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001039114801 732962243 /nfs/dbraw/zinc/96/22/43/732962243.db2.gz HGUCSBUUDCMIHR-DOMZBBRYSA-N 1 1 343.431 0.934 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCCN(C)C2=O)CC1 ZINC001098530565 733021361 /nfs/dbraw/zinc/02/13/61/733021361.db2.gz CIBWIQLRMDGYJK-INIZCTEOSA-N 1 1 337.464 0.716 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC001098533101 733064314 /nfs/dbraw/zinc/06/43/14/733064314.db2.gz SKEXEEJJOWNWHI-CQSZACIVSA-N 1 1 347.463 0.771 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001098533101 733064315 /nfs/dbraw/zinc/06/43/15/733064315.db2.gz SKEXEEJJOWNWHI-CQSZACIVSA-N 1 1 347.463 0.771 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001098533101 733064316 /nfs/dbraw/zinc/06/43/16/733064316.db2.gz SKEXEEJJOWNWHI-CQSZACIVSA-N 1 1 347.463 0.771 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001098533101 733064317 /nfs/dbraw/zinc/06/43/17/733064317.db2.gz SKEXEEJJOWNWHI-CQSZACIVSA-N 1 1 347.463 0.771 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001098533101 733064318 /nfs/dbraw/zinc/06/43/18/733064318.db2.gz SKEXEEJJOWNWHI-CQSZACIVSA-N 1 1 347.463 0.771 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCOCC3=O)CC2)C1 ZINC001039134975 733084186 /nfs/dbraw/zinc/08/41/86/733084186.db2.gz WTNKVSWOLCLZLM-KRWDZBQOSA-N 1 1 347.459 0.429 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC001041839830 782318443 /nfs/dbraw/zinc/31/84/43/782318443.db2.gz RXSDIWGIQQQHDN-WMZOPIPTSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC000970239197 733242520 /nfs/dbraw/zinc/24/25/20/733242520.db2.gz JBGPVPMKEDCDSV-YCPHGPKFSA-N 1 1 348.451 0.926 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2O)CC1 ZINC000970322012 733354203 /nfs/dbraw/zinc/35/42/03/733354203.db2.gz ARTJFGGSPWWBIL-PMPSAXMXSA-N 1 1 335.448 0.515 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2O)C1 ZINC000970398337 733465557 /nfs/dbraw/zinc/46/55/57/733465557.db2.gz CSUTWHBQWHWYSM-PMPSAXMXSA-N 1 1 349.475 0.903 20 30 ECEDMO C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111984035 738737625 /nfs/dbraw/zinc/73/76/25/738737625.db2.gz WJWGKIAHVQXVTL-MPGHIAIKSA-N 1 1 334.464 0.211 20 30 ECEDMO C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111984035 738737629 /nfs/dbraw/zinc/73/76/29/738737629.db2.gz WJWGKIAHVQXVTL-MPGHIAIKSA-N 1 1 334.464 0.211 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)Cn2nc(C)ccc2=O)CC1 ZINC001098538213 733682274 /nfs/dbraw/zinc/68/22/74/733682274.db2.gz LKPMEMLMRKZUED-UHFFFAOYSA-N 1 1 348.447 0.413 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)Cc2cnc[nH]2)CC1 ZINC001167331516 733797765 /nfs/dbraw/zinc/79/77/65/733797765.db2.gz OCCFJMDLNHGDNK-ZDUSSCGKSA-N 1 1 333.436 0.519 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1scnc1C1CC1 ZINC001114942431 733798393 /nfs/dbraw/zinc/79/83/93/733798393.db2.gz MKOSKHORLGTZPS-JYAVWHMHSA-N 1 1 346.456 0.983 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1scnc1C1CC1 ZINC001114942431 733798395 /nfs/dbraw/zinc/79/83/95/733798395.db2.gz MKOSKHORLGTZPS-JYAVWHMHSA-N 1 1 346.456 0.983 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)C(C)(C)C)CC1 ZINC001098540522 733853817 /nfs/dbraw/zinc/85/38/17/733853817.db2.gz QSAJCFFOPLPRAO-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC001078143120 782370677 /nfs/dbraw/zinc/37/06/77/782370677.db2.gz CKXRVOBAMJSOPC-GHMZBOCLSA-N 1 1 330.310 0.087 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC001078143120 782370684 /nfs/dbraw/zinc/37/06/84/782370684.db2.gz CKXRVOBAMJSOPC-GHMZBOCLSA-N 1 1 330.310 0.087 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1CCNCC#N ZINC001104289979 733953024 /nfs/dbraw/zinc/95/30/24/733953024.db2.gz VWUNBDZDQBGXJZ-BZUAXINKSA-N 1 1 332.452 0.411 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1 ZINC001111488285 734112003 /nfs/dbraw/zinc/11/20/03/734112003.db2.gz FMPMDXMTMSWCNF-FPCVCCKLSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1 ZINC001111488285 734112008 /nfs/dbraw/zinc/11/20/08/734112008.db2.gz FMPMDXMTMSWCNF-FPCVCCKLSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cnn(C)c3)C2)C1=O ZINC000971049920 734212287 /nfs/dbraw/zinc/21/22/87/734212287.db2.gz VXHYTVPFLGYNMQ-CABCVRRESA-N 1 1 331.420 0.353 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(c3ccncc3C#N)CCO2)C1 ZINC001104321312 734295595 /nfs/dbraw/zinc/29/55/95/734295595.db2.gz AIYJGHXVUZNRNR-GDBMZVCRSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(c3ncccc3C#N)CCO2)C1 ZINC001104321382 734295716 /nfs/dbraw/zinc/29/57/16/734295716.db2.gz CWUVBXACWFNMBR-GDBMZVCRSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cnsn3)C2)C1=O ZINC000971138226 734309488 /nfs/dbraw/zinc/30/94/88/734309488.db2.gz QXRMXNMSDMJLJF-YPMHNXCESA-N 1 1 335.433 0.471 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cnsn3)C2)C1=O ZINC000971138222 734309696 /nfs/dbraw/zinc/30/96/96/734309696.db2.gz QXRMXNMSDMJLJF-AAEUAGOBSA-N 1 1 335.433 0.471 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2nc(C)ccc2C#N)CCO1 ZINC001104327685 734341760 /nfs/dbraw/zinc/34/17/60/734341760.db2.gz AFWKYBHJIFELMN-INIZCTEOSA-N 1 1 345.447 0.925 20 30 ECEDMO Cc1ccc(C#N)c(NCCN(CCO)C(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001111489350 734414156 /nfs/dbraw/zinc/41/41/56/734414156.db2.gz UPJDZVLCGYWFHB-OAHLLOKOSA-N 1 1 345.447 0.836 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4cccnn43)[C@H]2C1 ZINC001083215542 734441706 /nfs/dbraw/zinc/44/17/06/734441706.db2.gz FORGRJYNQJUJSQ-LSDHHAIUSA-N 1 1 325.372 0.278 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4cccnn43)[C@H]2C1 ZINC001083215542 734441711 /nfs/dbraw/zinc/44/17/11/734441711.db2.gz FORGRJYNQJUJSQ-LSDHHAIUSA-N 1 1 325.372 0.278 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 ZINC001098550449 734452583 /nfs/dbraw/zinc/45/25/83/734452583.db2.gz OKEFEDKCNNYEKV-INIZCTEOSA-N 1 1 337.464 0.859 20 30 ECEDMO C[N@@H+](CCN1CCCC1=O)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971344374 734461295 /nfs/dbraw/zinc/46/12/95/734461295.db2.gz RMUCWXJBZKTXHM-CQSZACIVSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000971356327 734469740 /nfs/dbraw/zinc/46/97/40/734469740.db2.gz LJCUTQSUUCWIGC-AWEZNQCLSA-N 1 1 348.472 0.985 20 30 ECEDMO Cn1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)cc1=O ZINC000971371390 734482154 /nfs/dbraw/zinc/48/21/54/734482154.db2.gz HVHZPKZCECHUOG-INIZCTEOSA-N 1 1 339.399 0.932 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973141056 738818660 /nfs/dbraw/zinc/81/86/60/738818660.db2.gz FYZRMJQDMJUEQQ-DOERSZECSA-N 1 1 329.404 0.461 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000971378308 734489031 /nfs/dbraw/zinc/48/90/31/734489031.db2.gz HZZPQTREMULIRS-ROUUACIJSA-N 1 1 342.443 0.922 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 ZINC001104350285 734525236 /nfs/dbraw/zinc/52/52/36/734525236.db2.gz SPMZGOUTDQVVJQ-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]2O)C1 ZINC001078174253 782426885 /nfs/dbraw/zinc/42/68/85/782426885.db2.gz GKUKJTKJVWOKAL-KBRIMQKVSA-N 1 1 346.406 0.310 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000973152372 738839899 /nfs/dbraw/zinc/83/98/99/738839899.db2.gz YQVBOGOJAQUUMG-FMKGYKFTSA-N 1 1 329.404 0.604 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)C1 ZINC000949537075 734701394 /nfs/dbraw/zinc/70/13/94/734701394.db2.gz YGLKSPNDYXWIAM-AWEZNQCLSA-N 1 1 336.436 0.409 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)C1 ZINC000949537075 734701396 /nfs/dbraw/zinc/70/13/96/734701396.db2.gz YGLKSPNDYXWIAM-AWEZNQCLSA-N 1 1 336.436 0.409 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC000971512365 734701527 /nfs/dbraw/zinc/70/15/27/734701527.db2.gz BTMQXXFHNGGFMZ-LBPRGKRZSA-N 1 1 327.816 0.823 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC000971512365 734701531 /nfs/dbraw/zinc/70/15/31/734701531.db2.gz BTMQXXFHNGGFMZ-LBPRGKRZSA-N 1 1 327.816 0.823 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C2)C1=O ZINC000971528075 734714686 /nfs/dbraw/zinc/71/46/86/734714686.db2.gz HKTMTPXAHFOPKD-HZPDHXFCSA-N 1 1 345.447 0.282 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nccn2C)C1 ZINC000971703673 734965078 /nfs/dbraw/zinc/96/50/78/734965078.db2.gz LADXZOJEJLXCPR-HOTGVXAUSA-N 1 1 329.448 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nccn2C)C1 ZINC000971703673 734965080 /nfs/dbraw/zinc/96/50/80/734965080.db2.gz LADXZOJEJLXCPR-HOTGVXAUSA-N 1 1 329.448 0.550 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000973184021 738869513 /nfs/dbraw/zinc/86/95/13/738869513.db2.gz OZMZTXPOTKQCOS-YHUYYLMFSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000973184021 738869517 /nfs/dbraw/zinc/86/95/17/738869517.db2.gz OZMZTXPOTKQCOS-YHUYYLMFSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000973180238 738871399 /nfs/dbraw/zinc/87/13/99/738871399.db2.gz AGNPTBPKUUOXDN-DZKIICNBSA-N 1 1 339.399 0.361 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000973180238 738871404 /nfs/dbraw/zinc/87/14/04/738871404.db2.gz AGNPTBPKUUOXDN-DZKIICNBSA-N 1 1 339.399 0.361 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000973181675 738873733 /nfs/dbraw/zinc/87/37/33/738873733.db2.gz YOQFGTXFXOQCKW-UBHSHLNASA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973188744 738876952 /nfs/dbraw/zinc/87/69/52/738876952.db2.gz FRYQLGXWTHHSMX-OPQSFPLASA-N 1 1 329.404 0.461 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000973192126 738882198 /nfs/dbraw/zinc/88/21/98/738882198.db2.gz HVPBJLHQZPPIOH-UBHSHLNASA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC000972082640 735623395 /nfs/dbraw/zinc/62/33/95/735623395.db2.gz PNPAHHTWLMCYRN-CHWSQXEVSA-N 1 1 347.419 0.059 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cn([C@H]4CCOC4)nn3)[C@H]2C1 ZINC001083243048 735674697 /nfs/dbraw/zinc/67/46/97/735674697.db2.gz KFOZVKMIOMRQIJ-CWRNSKLLSA-N 1 1 347.419 0.341 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)[C@@H](n2ccnn2)C1 ZINC001069988540 790282832 /nfs/dbraw/zinc/28/28/32/790282832.db2.gz XZXPPYQIVJSKFO-ZNMIVQPWSA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)[C@@H](n2ccnn2)C1 ZINC001069988540 790282837 /nfs/dbraw/zinc/28/28/37/790282837.db2.gz XZXPPYQIVJSKFO-ZNMIVQPWSA-N 1 1 346.435 0.112 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3conc3C)C2)C1=O ZINC000972222414 735807841 /nfs/dbraw/zinc/80/78/41/735807841.db2.gz NAYWFEAFKSJNHG-ZFWWWQNUSA-N 1 1 332.404 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2cnco2)C1 ZINC001059847905 751359330 /nfs/dbraw/zinc/35/93/30/751359330.db2.gz XFBMTNMWMJSUOE-CABCVRRESA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2cnco2)C1 ZINC001059847905 751359337 /nfs/dbraw/zinc/35/93/37/751359337.db2.gz XFBMTNMWMJSUOE-CABCVRRESA-N 1 1 344.415 0.741 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001098566584 735840182 /nfs/dbraw/zinc/84/01/82/735840182.db2.gz CQFBWEYBHHAMDH-INIZCTEOSA-N 1 1 325.453 0.178 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@@H+](C)CCN3CCCC3=O)C2)c1 ZINC000972292396 735900167 /nfs/dbraw/zinc/90/01/67/735900167.db2.gz PRYKXNXIYPDRNG-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO COC[C@@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972340273 735971154 /nfs/dbraw/zinc/97/11/54/735971154.db2.gz VWMKYAUPSKEAFA-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972340273 735971161 /nfs/dbraw/zinc/97/11/61/735971161.db2.gz VWMKYAUPSKEAFA-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972343500 735976692 /nfs/dbraw/zinc/97/66/92/735976692.db2.gz RWJMPRYWWGCKFU-ZNMIVQPWSA-N 1 1 344.390 0.851 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CNC(=O)C2CCC2)CC1 ZINC001098570877 736134905 /nfs/dbraw/zinc/13/49/05/736134905.db2.gz JBURLHACCNFFCL-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCN1CCO[C@]2(CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000972409063 736141143 /nfs/dbraw/zinc/14/11/43/736141143.db2.gz NXIUHXDCLZDIBI-FUHWJXTLSA-N 1 1 347.463 0.303 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)OCCOCC)CC1 ZINC001098571901 736199398 /nfs/dbraw/zinc/19/93/98/736199398.db2.gz YQYDXEUDLZFGDL-MRXNPFEDSA-N 1 1 340.464 0.737 20 30 ECEDMO Cn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111588741 736203769 /nfs/dbraw/zinc/20/37/69/736203769.db2.gz IUPCTZASSTUHOV-GUYCJALGSA-N 1 1 329.404 0.249 20 30 ECEDMO Cn1cccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111588741 736203772 /nfs/dbraw/zinc/20/37/72/736203772.db2.gz IUPCTZASSTUHOV-GUYCJALGSA-N 1 1 329.404 0.249 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN3C(C)=O)[C@H]2C1 ZINC001083252618 736205610 /nfs/dbraw/zinc/20/56/10/736205610.db2.gz VGWUSCNIUZYIRT-YESZJQIVSA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 ZINC000972459558 736254183 /nfs/dbraw/zinc/25/41/83/736254183.db2.gz XDQWOHIKUMKEJR-YJBOKZPZSA-N 1 1 335.448 0.925 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 ZINC000972459558 736254185 /nfs/dbraw/zinc/25/41/85/736254185.db2.gz XDQWOHIKUMKEJR-YJBOKZPZSA-N 1 1 335.448 0.925 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972479526 736302139 /nfs/dbraw/zinc/30/21/39/736302139.db2.gz BOANDMUOUPPXSD-WMZOPIPTSA-N 1 1 348.447 0.987 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000972479600 736302607 /nfs/dbraw/zinc/30/26/07/736302607.db2.gz WRCAKMBKUCPUKL-IMBTUZDBSA-N 1 1 348.443 0.365 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000972479600 736302611 /nfs/dbraw/zinc/30/26/11/736302611.db2.gz WRCAKMBKUCPUKL-IMBTUZDBSA-N 1 1 348.443 0.365 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000972479599 736302961 /nfs/dbraw/zinc/30/29/61/736302961.db2.gz WRCAKMBKUCPUKL-BMFAXAFESA-N 1 1 348.443 0.365 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000972479599 736302964 /nfs/dbraw/zinc/30/29/64/736302964.db2.gz WRCAKMBKUCPUKL-BMFAXAFESA-N 1 1 348.443 0.365 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CCCC2)C1 ZINC001022956318 736316578 /nfs/dbraw/zinc/31/65/78/736316578.db2.gz ANUJOYRDCUNJCA-IXDOHACOSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CCCC2)C1 ZINC001022956318 736316581 /nfs/dbraw/zinc/31/65/81/736316581.db2.gz ANUJOYRDCUNJCA-IXDOHACOSA-N 1 1 347.459 0.352 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 ZINC000972494705 736395012 /nfs/dbraw/zinc/39/50/12/736395012.db2.gz UEWUJGXOQMSIMW-QGZVFWFLSA-N 1 1 334.420 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 ZINC000972494705 736395014 /nfs/dbraw/zinc/39/50/14/736395014.db2.gz UEWUJGXOQMSIMW-QGZVFWFLSA-N 1 1 334.420 0.922 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)CCn3cccn3)C2)nn1 ZINC000972501369 736428262 /nfs/dbraw/zinc/42/82/62/736428262.db2.gz PMEGQLQPXCOZSC-AWEZNQCLSA-N 1 1 329.408 0.507 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nc[nH]c3=O)C2)C1 ZINC000972511911 736496224 /nfs/dbraw/zinc/49/62/24/736496224.db2.gz KRZPFBDCYROIHQ-QGZVFWFLSA-N 1 1 330.388 0.431 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)CC1 ZINC001098575477 736505810 /nfs/dbraw/zinc/50/58/10/736505810.db2.gz QIWDRAVBYMQDDT-HNNXBMFYSA-N 1 1 335.448 0.163 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCn3cccn3)C2)nn1 ZINC000972515742 736517209 /nfs/dbraw/zinc/51/72/09/736517209.db2.gz BJNCUIJCGMUVHL-OAHLLOKOSA-N 1 1 343.435 0.897 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@H+](C)[C@H](CC)C(N)=O)C2)nn1 ZINC000972516083 736523683 /nfs/dbraw/zinc/52/36/83/736523683.db2.gz HFXUFAXGMQXCDZ-GXTWGEPZSA-N 1 1 334.424 0.264 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001023277263 736638810 /nfs/dbraw/zinc/63/88/10/736638810.db2.gz LTHWAHHHZCSYAJ-ZBFHGGJFSA-N 1 1 345.447 0.947 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023297755 736660440 /nfs/dbraw/zinc/66/04/40/736660440.db2.gz NSWKPITZVMSKQK-QWHCGFSZSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023309173 736667155 /nfs/dbraw/zinc/66/71/55/736667155.db2.gz ZNJUIHOEGZEDPG-STQMWFEESA-N 1 1 343.431 0.995 20 30 ECEDMO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001023319010 736679383 /nfs/dbraw/zinc/67/93/83/736679383.db2.gz QRXKQWXBEXYRSN-LBPRGKRZSA-N 1 1 327.392 0.657 20 30 ECEDMO Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001023319010 736679385 /nfs/dbraw/zinc/67/93/85/736679385.db2.gz QRXKQWXBEXYRSN-LBPRGKRZSA-N 1 1 327.392 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2ccn[nH]2)C1 ZINC001059846749 751372163 /nfs/dbraw/zinc/37/21/63/751372163.db2.gz DBSAZTRANRPGDG-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2ccn[nH]2)C1 ZINC001059846749 751372171 /nfs/dbraw/zinc/37/21/71/751372171.db2.gz DBSAZTRANRPGDG-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972553199 736711881 /nfs/dbraw/zinc/71/18/81/736711881.db2.gz BPWKCRZRCBAETG-SFHVURJKSA-N 1 1 346.431 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@@H](C)OC)C1 ZINC001059846942 751376507 /nfs/dbraw/zinc/37/65/07/751376507.db2.gz IOXHOTOUVDYQPP-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@@H](C)OC)C1 ZINC001059846942 751376514 /nfs/dbraw/zinc/37/65/14/751376514.db2.gz IOXHOTOUVDYQPP-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001023503255 736928694 /nfs/dbraw/zinc/92/86/94/736928694.db2.gz NOHLNGLZKMZMJP-HIFRSBDPSA-N 1 1 331.420 0.770 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001023510896 736936334 /nfs/dbraw/zinc/93/63/34/736936334.db2.gz SVQOACJGQOHDLF-KBPBESRZSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001023510275 736941265 /nfs/dbraw/zinc/94/12/65/736941265.db2.gz GUKMPOMRWNBSDB-CYBMUJFWSA-N 1 1 325.376 0.132 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001023547304 736989876 /nfs/dbraw/zinc/98/98/76/736989876.db2.gz IXSDOBFULTYBFP-FIDHJVLJSA-N 1 1 347.459 0.494 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)C1 ZINC000972591173 737008051 /nfs/dbraw/zinc/00/80/51/737008051.db2.gz XSCSIPSSXPCYNT-MAUKXSAKSA-N 1 1 330.432 0.915 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)C1 ZINC000972591173 737008055 /nfs/dbraw/zinc/00/80/55/737008055.db2.gz XSCSIPSSXPCYNT-MAUKXSAKSA-N 1 1 330.432 0.915 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC([N@H+](CCO)C[C@H](C)OC)CC1 ZINC001098577844 737008073 /nfs/dbraw/zinc/00/80/73/737008073.db2.gz SHAUPZXBFAUENN-GJZGRUSLSA-N 1 1 328.453 0.898 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972591675 737013997 /nfs/dbraw/zinc/01/39/97/737013997.db2.gz DNYUEJZBOPHHDO-QGZVFWFLSA-N 1 1 348.451 0.676 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)s1 ZINC001023566024 737018559 /nfs/dbraw/zinc/01/85/59/737018559.db2.gz HSSKOQKPCSGPBI-RISCZKNCSA-N 1 1 347.444 0.629 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001023593792 737053762 /nfs/dbraw/zinc/05/37/62/737053762.db2.gz BVQZQVZHOPXHBX-KURKYZTESA-N 1 1 339.439 0.988 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC000972616534 737104009 /nfs/dbraw/zinc/10/40/09/737104009.db2.gz ZYPZGOVOXGESPG-QGZVFWFLSA-N 1 1 332.404 0.607 20 30 ECEDMO COc1ccc(C[N@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)cc1C#N ZINC000981972288 751386370 /nfs/dbraw/zinc/38/63/70/751386370.db2.gz QBNXVJMJZQLTCM-UHFFFAOYSA-N 1 1 342.399 0.477 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnnn3C)C2)nn1 ZINC001023637063 737123395 /nfs/dbraw/zinc/12/33/95/737123395.db2.gz CDBYGLVBHUBSTA-ZDUSSCGKSA-N 1 1 344.423 0.235 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnnn3C)C2)nn1 ZINC001023637063 737123399 /nfs/dbraw/zinc/12/33/99/737123399.db2.gz CDBYGLVBHUBSTA-ZDUSSCGKSA-N 1 1 344.423 0.235 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O ZINC001023690279 737209931 /nfs/dbraw/zinc/20/99/31/737209931.db2.gz HFWKDPATPJENJR-BRWVUGGUSA-N 1 1 347.459 0.351 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001023729146 737252263 /nfs/dbraw/zinc/25/22/63/737252263.db2.gz IJGRBWPBRYWFRV-CQSZACIVSA-N 1 1 328.416 0.906 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC000972667692 737304863 /nfs/dbraw/zinc/30/48/63/737304863.db2.gz RAELNMHKAACWMI-QGZVFWFLSA-N 1 1 345.403 0.069 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC000972667692 737304866 /nfs/dbraw/zinc/30/48/66/737304866.db2.gz RAELNMHKAACWMI-QGZVFWFLSA-N 1 1 345.403 0.069 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001023758299 737313098 /nfs/dbraw/zinc/31/30/98/737313098.db2.gz UZDIJUYCHPZDCV-HUUCEWRRSA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001023758299 737313099 /nfs/dbraw/zinc/31/30/99/737313099.db2.gz UZDIJUYCHPZDCV-HUUCEWRRSA-N 1 1 343.855 0.814 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN(CC(=O)N(C)C)C2)CC1 ZINC001023762483 737327331 /nfs/dbraw/zinc/32/73/31/737327331.db2.gz XYNDIGQTHYKZOA-INIZCTEOSA-N 1 1 348.491 0.248 20 30 ECEDMO C=C(Cl)CN1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972676947 737356723 /nfs/dbraw/zinc/35/67/23/737356723.db2.gz MSRZLASCKGZMKZ-HOCLYGCPSA-N 1 1 327.856 0.994 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972688122 737380910 /nfs/dbraw/zinc/38/09/10/737380910.db2.gz MGEAJKGCITZEBW-VQIMIIECSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972688122 737380914 /nfs/dbraw/zinc/38/09/14/737380914.db2.gz MGEAJKGCITZEBW-VQIMIIECSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083264309 737403090 /nfs/dbraw/zinc/40/30/90/737403090.db2.gz RWKBWHJRTISHFM-IAOVAPTHSA-N 1 1 330.384 0.924 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083264309 737403092 /nfs/dbraw/zinc/40/30/92/737403092.db2.gz RWKBWHJRTISHFM-IAOVAPTHSA-N 1 1 330.384 0.924 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972707453 737519469 /nfs/dbraw/zinc/51/94/69/737519469.db2.gz JOGIRDYZAHDUDW-SFHVURJKSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972707453 737519470 /nfs/dbraw/zinc/51/94/70/737519470.db2.gz JOGIRDYZAHDUDW-SFHVURJKSA-N 1 1 342.399 0.121 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCCC3)C2)nc1 ZINC000972750986 737590492 /nfs/dbraw/zinc/59/04/92/737590492.db2.gz GVEKIVVYOCZIBM-INIZCTEOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCCC3)C2)nc1 ZINC000972750986 737590494 /nfs/dbraw/zinc/59/04/94/737590494.db2.gz GVEKIVVYOCZIBM-INIZCTEOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCNC3=O)C2)nc1 ZINC000972756251 737597685 /nfs/dbraw/zinc/59/76/85/737597685.db2.gz KJDUENYWNJYVCS-OAHLLOKOSA-N 1 1 341.415 0.234 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([N@H+](C)[C@H](CC)C(N)=O)C1 ZINC000972757867 737598921 /nfs/dbraw/zinc/59/89/21/737598921.db2.gz WUNNMNIQJUSPFW-UKRRQHHQSA-N 1 1 344.415 0.504 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cnn(C)c3)C(C)(C)C2)C1=O ZINC000972799679 737689724 /nfs/dbraw/zinc/68/97/24/737689724.db2.gz JFPGOFCSYPITJW-HUUCEWRRSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cnn(C)c3)C(C)(C)C2)C1=O ZINC000972799679 737689725 /nfs/dbraw/zinc/68/97/25/737689725.db2.gz JFPGOFCSYPITJW-HUUCEWRRSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cn[nH]c3)C(C)(C)C2)C1=O ZINC000972834531 737758331 /nfs/dbraw/zinc/75/83/31/737758331.db2.gz KGAPXPQISMXRAI-UONOGXRCSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cn[nH]c3)C(C)(C)C2)C1=O ZINC000972834531 737758333 /nfs/dbraw/zinc/75/83/33/737758333.db2.gz KGAPXPQISMXRAI-UONOGXRCSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cnc(C)[nH]3)C(C)(C)C2)C1=O ZINC000972859168 737771778 /nfs/dbraw/zinc/77/17/78/737771778.db2.gz HOYZWHKOTQMRKD-CABCVRRESA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cnc(C)[nH]3)C(C)(C)C2)C1=O ZINC000972859168 737771783 /nfs/dbraw/zinc/77/17/83/737771783.db2.gz HOYZWHKOTQMRKD-CABCVRRESA-N 1 1 345.447 0.945 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001024157227 737788266 /nfs/dbraw/zinc/78/82/66/737788266.db2.gz JIQCSPVRFQEJIO-HZSPNIEDSA-N 1 1 346.431 0.661 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC001024321648 737890057 /nfs/dbraw/zinc/89/00/57/737890057.db2.gz IZFJTGICZMSVTF-HOTGVXAUSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC001024321648 737890061 /nfs/dbraw/zinc/89/00/61/737890061.db2.gz IZFJTGICZMSVTF-HOTGVXAUSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001039727157 737892027 /nfs/dbraw/zinc/89/20/27/737892027.db2.gz YACXNQVJNYGACW-QAPCUYQASA-N 1 1 337.464 0.905 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2CCn2cncn2)c1 ZINC001024380669 737929030 /nfs/dbraw/zinc/92/90/30/737929030.db2.gz QJGOPQINWNHVKG-AWEZNQCLSA-N 1 1 327.392 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cccn2nnnc12 ZINC001087288149 738120184 /nfs/dbraw/zinc/12/01/84/738120184.db2.gz SAZXUHVHRIJINR-VHDGCEQUSA-N 1 1 338.415 0.976 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C3CCN(C(N)=O)CC3)[C@H]2C1 ZINC001083269888 738170966 /nfs/dbraw/zinc/17/09/66/738170966.db2.gz CCFVORKVYXPYLO-LSDHHAIUSA-N 1 1 336.436 0.265 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H](C)CC)CCOCC1 ZINC001069998150 790294131 /nfs/dbraw/zinc/29/41/31/790294131.db2.gz IVJAOBUSGRBGQK-CVEARBPZSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H](C)CC)CCOCC1 ZINC001069998150 790294135 /nfs/dbraw/zinc/29/41/35/790294135.db2.gz IVJAOBUSGRBGQK-CVEARBPZSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001024690435 738222001 /nfs/dbraw/zinc/22/20/01/738222001.db2.gz VNZBYPMUBZQLAF-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001024690435 738222003 /nfs/dbraw/zinc/22/20/03/738222003.db2.gz VNZBYPMUBZQLAF-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087307752 738224884 /nfs/dbraw/zinc/22/48/84/738224884.db2.gz GJNVZXZVLYDWCQ-WQVCFCJDSA-N 1 1 346.431 0.167 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N2CCC2)nn1 ZINC001024696018 738225338 /nfs/dbraw/zinc/22/53/38/738225338.db2.gz CQAPOVOGHJHKAB-AWEZNQCLSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N2CCC2)nn1 ZINC001024696018 738225345 /nfs/dbraw/zinc/22/53/45/738225345.db2.gz CQAPOVOGHJHKAB-AWEZNQCLSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001024705053 738232496 /nfs/dbraw/zinc/23/24/96/738232496.db2.gz VHDRIUSGIDXWRX-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001024710081 738238290 /nfs/dbraw/zinc/23/82/90/738238290.db2.gz QAMQRKHYMSODMU-AWEZNQCLSA-N 1 1 341.415 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCC(=O)NC1=O ZINC001087312304 738245344 /nfs/dbraw/zinc/24/53/44/738245344.db2.gz CFENYXMPMOWTEU-UHOFOFEASA-N 1 1 346.431 0.167 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ncccn2)C1=O ZINC001024724582 738251732 /nfs/dbraw/zinc/25/17/32/738251732.db2.gz XOBXHYRTHSDJDN-HUUCEWRRSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ncccn2)C1=O ZINC001024724582 738251735 /nfs/dbraw/zinc/25/17/35/738251735.db2.gz XOBXHYRTHSDJDN-HUUCEWRRSA-N 1 1 343.431 0.848 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N(C)C)cn1 ZINC001024769610 738277605 /nfs/dbraw/zinc/27/76/05/738277605.db2.gz JRWYCMHJTMLJSM-INIZCTEOSA-N 1 1 328.416 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N(C)C)cn1 ZINC001024769610 738277607 /nfs/dbraw/zinc/27/76/07/738277607.db2.gz JRWYCMHJTMLJSM-INIZCTEOSA-N 1 1 328.416 0.735 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)csc3=O)[C@H]2C1 ZINC001083272062 738284239 /nfs/dbraw/zinc/28/42/39/738284239.db2.gz RJKLRBMZNIFWIT-UONOGXRCSA-N 1 1 337.445 0.706 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cn(C)c(=O)n1C ZINC001087319032 738287181 /nfs/dbraw/zinc/28/71/81/738287181.db2.gz HNPWODOHZDURHG-VHDGCEQUSA-N 1 1 330.432 0.576 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CCC3=O)C(C)(C)[C@H]21 ZINC001087318116 738289437 /nfs/dbraw/zinc/28/94/37/738289437.db2.gz RDEPAVQZRCJBJF-JLZZUVOBSA-N 1 1 333.432 0.927 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001025247107 738921517 /nfs/dbraw/zinc/92/15/17/738921517.db2.gz IQXSSLDUQNGKGV-GJZGRUSLSA-N 1 1 346.431 0.980 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025276803 738997386 /nfs/dbraw/zinc/99/73/86/738997386.db2.gz KZULEWVLWDUJHP-UONOGXRCSA-N 1 1 332.404 0.017 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@@H+]2CCO)nn1 ZINC001025275086 738998837 /nfs/dbraw/zinc/99/88/37/738998837.db2.gz SCUBHBVHEVIZDY-CVEARBPZSA-N 1 1 333.436 0.916 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001025277841 739000120 /nfs/dbraw/zinc/00/01/20/739000120.db2.gz PZLMWYDGVMEETA-CVEARBPZSA-N 1 1 345.443 0.908 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001025300564 739021673 /nfs/dbraw/zinc/02/16/73/739021673.db2.gz CWQRNSKBPWXUAE-CABCVRRESA-N 1 1 346.435 0.409 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000973338197 739105790 /nfs/dbraw/zinc/10/57/90/739105790.db2.gz MBANAOIWEGZDMJ-JYJNAYRXSA-N 1 1 328.416 0.418 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000973338197 739105791 /nfs/dbraw/zinc/10/57/91/739105791.db2.gz MBANAOIWEGZDMJ-JYJNAYRXSA-N 1 1 328.416 0.418 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH]nc4C3)[C@H]2C1 ZINC001083279931 739112818 /nfs/dbraw/zinc/11/28/18/739112818.db2.gz WAAXVLZECDUIQS-RRQGHBQHSA-N 1 1 328.416 0.450 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH]nc4C3)[C@H]2C1 ZINC001083279931 739112822 /nfs/dbraw/zinc/11/28/22/739112822.db2.gz WAAXVLZECDUIQS-RRQGHBQHSA-N 1 1 328.416 0.450 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2cnon2)C1 ZINC001059848056 751417209 /nfs/dbraw/zinc/41/72/09/751417209.db2.gz YOTLAKMQCPPXRD-ZFWWWQNUSA-N 1 1 345.403 0.136 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2cnon2)C1 ZINC001059848056 751417212 /nfs/dbraw/zinc/41/72/12/751417212.db2.gz YOTLAKMQCPPXRD-ZFWWWQNUSA-N 1 1 345.403 0.136 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC000973368595 739155217 /nfs/dbraw/zinc/15/52/17/739155217.db2.gz VWPDGRJOQCSHOG-DZKIICNBSA-N 1 1 344.415 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC000973368595 739155218 /nfs/dbraw/zinc/15/52/18/739155218.db2.gz VWPDGRJOQCSHOG-DZKIICNBSA-N 1 1 344.415 0.387 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC000973410808 739224031 /nfs/dbraw/zinc/22/40/31/739224031.db2.gz QTUVQFKZTFHWSU-FPXQBCRKSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC000973410808 739224033 /nfs/dbraw/zinc/22/40/33/739224033.db2.gz QTUVQFKZTFHWSU-FPXQBCRKSA-N 1 1 347.459 0.664 20 30 ECEDMO C[C@@H](CNc1ccc(C#N)cn1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104623367 739257428 /nfs/dbraw/zinc/25/74/28/739257428.db2.gz ZQWGUVKEQOSUKE-AWEZNQCLSA-N 1 1 331.420 0.934 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)NC)nn1 ZINC001028191981 751429749 /nfs/dbraw/zinc/42/97/49/751429749.db2.gz DZDMLCZFRCOZTD-STQMWFEESA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC)nn1 ZINC001028191981 751429754 /nfs/dbraw/zinc/42/97/54/751429754.db2.gz DZDMLCZFRCOZTD-STQMWFEESA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCN(C)C2=O)nn1 ZINC001028193275 751434957 /nfs/dbraw/zinc/43/49/57/751434957.db2.gz ZNXTWJSFBARMRD-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCN(C)C2=O)nn1 ZINC001028193275 751434961 /nfs/dbraw/zinc/43/49/61/751434961.db2.gz ZNXTWJSFBARMRD-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000987995229 751435797 /nfs/dbraw/zinc/43/57/97/751435797.db2.gz YTQLHGMQMZUUDF-DLBZAZTESA-N 1 1 347.459 0.427 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000987995229 751435800 /nfs/dbraw/zinc/43/58/00/751435800.db2.gz YTQLHGMQMZUUDF-DLBZAZTESA-N 1 1 347.459 0.427 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001025457374 739561507 /nfs/dbraw/zinc/56/15/07/739561507.db2.gz BQUXATWLYWBUJG-RYUDHWBXSA-N 1 1 341.433 0.943 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC000973632946 739602299 /nfs/dbraw/zinc/60/22/99/739602299.db2.gz RQHJHVCNWSLUCC-JZIBPQBNSA-N 1 1 329.404 0.989 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001025493392 739660020 /nfs/dbraw/zinc/66/00/20/739660020.db2.gz NNUAHWBALBCDML-UONOGXRCSA-N 1 1 339.403 0.521 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001006531369 751486649 /nfs/dbraw/zinc/48/66/49/751486649.db2.gz WQFPEZBIFPOJPA-ZFWWWQNUSA-N 1 1 340.427 0.591 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCn1cncn1)C2 ZINC000982023668 751487064 /nfs/dbraw/zinc/48/70/64/751487064.db2.gz QQRJVEISMFSUNJ-CVEARBPZSA-N 1 1 345.447 0.794 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)C(=O)N(C)C)C2 ZINC000982023521 751487213 /nfs/dbraw/zinc/48/72/13/751487213.db2.gz KGNCLBKFIFQJFC-OAGGEKHMSA-N 1 1 349.475 0.979 20 30 ECEDMO COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001025705235 739882304 /nfs/dbraw/zinc/88/23/04/739882304.db2.gz KDKSARGGFHEPNI-ALYAQQCSSA-N 1 1 339.395 0.914 20 30 ECEDMO COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001025705235 739882307 /nfs/dbraw/zinc/88/23/07/739882307.db2.gz KDKSARGGFHEPNI-ALYAQQCSSA-N 1 1 339.395 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3cnc[nH]3)CC2)C1=O ZINC000982035553 751516595 /nfs/dbraw/zinc/51/65/95/751516595.db2.gz KNPSNOGSTUDZHM-OAHLLOKOSA-N 1 1 331.420 0.273 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3cnc[nH]3)CC2)C1=O ZINC000982035553 751516598 /nfs/dbraw/zinc/51/65/98/751516598.db2.gz KNPSNOGSTUDZHM-OAHLLOKOSA-N 1 1 331.420 0.273 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCOC)nn1 ZINC001087392355 740409061 /nfs/dbraw/zinc/40/90/61/740409061.db2.gz GLBMJZFRQPNAFN-HWMZRRJGSA-N 1 1 345.447 0.893 20 30 ECEDMO CN(C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cncc(C#N)n1 ZINC001058690324 740473331 /nfs/dbraw/zinc/47/33/31/740473331.db2.gz HHROSSLKMZYNMP-CABCVRRESA-N 1 1 342.447 0.975 20 30 ECEDMO CN(C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1nccnc1C#N ZINC001058690198 740476980 /nfs/dbraw/zinc/47/69/80/740476980.db2.gz CYCUAIAHRDUMTJ-CABCVRRESA-N 1 1 342.447 0.975 20 30 ECEDMO COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1C(F)(F)F ZINC001112051380 740526911 /nfs/dbraw/zinc/52/69/11/740526911.db2.gz SVYXVCIBTAKKCX-ZYHUDNBSSA-N 1 1 330.310 0.652 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)n1 ZINC001026229117 740533548 /nfs/dbraw/zinc/53/35/48/740533548.db2.gz HGNAFLQEIAFSNN-RWMBFGLXSA-N 1 1 340.391 0.050 20 30 ECEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2O)C1 ZINC001111595357 740541852 /nfs/dbraw/zinc/54/18/52/740541852.db2.gz ZFCBEGLMJRMRIO-UGSOOPFHSA-N 1 1 342.399 0.616 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2O)C1 ZINC001111595357 740541854 /nfs/dbraw/zinc/54/18/54/740541854.db2.gz ZFCBEGLMJRMRIO-UGSOOPFHSA-N 1 1 342.399 0.616 20 30 ECEDMO C[C@@H]([NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1C(F)(F)F)C(N)=O ZINC001112052978 740569269 /nfs/dbraw/zinc/56/92/69/740569269.db2.gz MEKPFHFMPLAGOV-IWSPIJDZSA-N 1 1 338.355 0.096 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000973921381 740598707 /nfs/dbraw/zinc/59/87/07/740598707.db2.gz JTZBYTKPKDDFSP-GUTXKFCHSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000973921381 740598709 /nfs/dbraw/zinc/59/87/09/740598709.db2.gz JTZBYTKPKDDFSP-GUTXKFCHSA-N 1 1 329.404 0.193 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104854134 740723107 /nfs/dbraw/zinc/72/31/07/740723107.db2.gz AIAGDKAKBCLKFW-KBPBESRZSA-N 1 1 330.436 0.903 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000973998674 740747008 /nfs/dbraw/zinc/74/70/08/740747008.db2.gz JYRGUAQCBGHXIA-XHSDSOJGSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000973998674 740747010 /nfs/dbraw/zinc/74/70/10/740747010.db2.gz JYRGUAQCBGHXIA-XHSDSOJGSA-N 1 1 335.448 0.827 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ncnc2nc[nH]c21 ZINC001104861781 740747915 /nfs/dbraw/zinc/74/79/15/740747915.db2.gz AJUVSIYFVNWGNY-STQMWFEESA-N 1 1 341.419 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cncc(C#N)n1 ZINC001104862712 740750254 /nfs/dbraw/zinc/75/02/54/740750254.db2.gz PTYZLMCWSVVGQP-HIFRSBDPSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cncc(C#N)n1 ZINC001104862712 740750257 /nfs/dbraw/zinc/75/02/57/740750257.db2.gz PTYZLMCWSVVGQP-HIFRSBDPSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccncc1C#N ZINC001104862939 740753952 /nfs/dbraw/zinc/75/39/52/740753952.db2.gz TYNMCKHAKTUJOB-PBHICJAKSA-N 1 1 325.416 0.732 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccncc1C#N ZINC001104862939 740753955 /nfs/dbraw/zinc/75/39/55/740753955.db2.gz TYNMCKHAKTUJOB-PBHICJAKSA-N 1 1 325.416 0.732 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC3CC3)C2)O1 ZINC001059855738 751580500 /nfs/dbraw/zinc/58/05/00/751580500.db2.gz AHSJJYCPSRANLM-DJIMGWMZSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC3CC3)C2)O1 ZINC001059855738 751580504 /nfs/dbraw/zinc/58/05/04/751580504.db2.gz AHSJJYCPSRANLM-DJIMGWMZSA-N 1 1 347.459 0.474 20 30 ECEDMO CC(C)C[C@H](CNc1ccncc1C#N)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104926614 740949580 /nfs/dbraw/zinc/94/95/80/740949580.db2.gz XBSZZUGYZSEUME-NVXWUHKLSA-N 1 1 345.447 0.649 20 30 ECEDMO CC(C)C[C@H](CNc1ccncc1C#N)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104926614 740949582 /nfs/dbraw/zinc/94/95/82/740949582.db2.gz XBSZZUGYZSEUME-NVXWUHKLSA-N 1 1 345.447 0.649 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC000982107916 751601265 /nfs/dbraw/zinc/60/12/65/751601265.db2.gz XCONPFKYEHVGOP-CQSZACIVSA-N 1 1 331.420 0.964 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000974181739 741065420 /nfs/dbraw/zinc/06/54/20/741065420.db2.gz NFZWIGCHCFFZFU-IVSAIRAKSA-N 1 1 346.431 0.936 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001112068641 741074087 /nfs/dbraw/zinc/07/40/87/741074087.db2.gz JDSLHPDDQCYUPN-YUSALJHKSA-N 1 1 346.353 0.746 20 30 ECEDMO N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)n1 ZINC001059857222 751610250 /nfs/dbraw/zinc/61/02/50/751610250.db2.gz SMNILOQCEPCLLH-MYZSUADSSA-N 1 1 342.403 0.271 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC000974251440 741178830 /nfs/dbraw/zinc/17/88/30/741178830.db2.gz HAPUDVFIGWLHFH-CRWXNKLISA-N 1 1 339.386 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC000974251440 741178831 /nfs/dbraw/zinc/17/88/31/741178831.db2.gz HAPUDVFIGWLHFH-CRWXNKLISA-N 1 1 339.386 0.893 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000974263364 741193489 /nfs/dbraw/zinc/19/34/89/741193489.db2.gz SDENCAXCBPQZQS-TWMKSMIVSA-N 1 1 346.475 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000974264997 741196426 /nfs/dbraw/zinc/19/64/26/741196426.db2.gz HWCJKHXHUJGTFG-ZNMIVQPWSA-N 1 1 342.399 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000974264997 741196430 /nfs/dbraw/zinc/19/64/30/741196430.db2.gz HWCJKHXHUJGTFG-ZNMIVQPWSA-N 1 1 342.399 0.262 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000974289799 741248929 /nfs/dbraw/zinc/24/89/29/741248929.db2.gz JRQUKPCLENORBJ-JKJDWNRSSA-N 1 1 335.448 0.825 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000974293361 741259212 /nfs/dbraw/zinc/25/92/12/741259212.db2.gz CBBAKNHGUNVOIG-HLLBOEOZSA-N 1 1 340.427 0.924 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC000982143846 751641435 /nfs/dbraw/zinc/64/14/35/751641435.db2.gz IHJLMEOQNCQPDW-UHFFFAOYSA-N 1 1 332.448 0.725 20 30 ECEDMO CO[C@H](C)C[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001105217527 741482113 /nfs/dbraw/zinc/48/21/13/741482113.db2.gz CBXVVMYCUNVRRU-LLVKDONJSA-N 1 1 343.391 0.299 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CC3OCCCO3)C2)nn1 ZINC001105221891 741496741 /nfs/dbraw/zinc/49/67/41/741496741.db2.gz ZJZLNUZVNVKMNB-UHFFFAOYSA-N 1 1 335.408 0.480 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)COC)nn2)C1 ZINC001105223613 741500442 /nfs/dbraw/zinc/50/04/42/741500442.db2.gz AORIPWZOALWROM-BLLLJJGKSA-N 1 1 337.424 0.113 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000988189458 751645324 /nfs/dbraw/zinc/64/53/24/751645324.db2.gz VHGJQDOXZPWRSW-LSDHHAIUSA-N 1 1 337.464 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000988189458 751645327 /nfs/dbraw/zinc/64/53/27/751645327.db2.gz VHGJQDOXZPWRSW-LSDHHAIUSA-N 1 1 337.464 0.836 20 30 ECEDMO C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235656 741527749 /nfs/dbraw/zinc/52/77/49/741527749.db2.gz MVFIYBFJEDGALN-ZIAGYGMSSA-N 1 1 334.380 0.382 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1 ZINC001026570828 741564387 /nfs/dbraw/zinc/56/43/87/741564387.db2.gz RKOIJFAOPWEWSX-FVQBIDKESA-N 1 1 333.432 0.084 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1 ZINC001026570828 741564390 /nfs/dbraw/zinc/56/43/90/741564390.db2.gz RKOIJFAOPWEWSX-FVQBIDKESA-N 1 1 333.432 0.084 20 30 ECEDMO C#CCC1(C(=O)N2CC(n3cc(C[NH2+]CCOCC)nn3)C2)CCC1 ZINC001105259641 741581629 /nfs/dbraw/zinc/58/16/29/741581629.db2.gz GQKPXYJNLJNFCA-UHFFFAOYSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc(C)cc3OC)C2)nn1 ZINC001105262186 741588667 /nfs/dbraw/zinc/58/86/67/741588667.db2.gz MRFLYZOBJLDGTH-UHFFFAOYSA-N 1 1 342.403 0.963 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001105264380 741595272 /nfs/dbraw/zinc/59/52/72/741595272.db2.gz HAURRTSXTLIIEU-MRXNPFEDSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264380 741595275 /nfs/dbraw/zinc/59/52/75/741595275.db2.gz HAURRTSXTLIIEU-MRXNPFEDSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)nn1 ZINC001105275278 741621384 /nfs/dbraw/zinc/62/13/84/741621384.db2.gz JMYGBJNVWRHQGL-KRWDZBQOSA-N 1 1 344.463 0.505 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(OC)n(C)n3)C2)nn1 ZINC001105278409 741633021 /nfs/dbraw/zinc/63/30/21/741633021.db2.gz BNYXZFUSCXRVAX-UHFFFAOYSA-N 1 1 345.407 0.383 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)cc(=O)oc3C)C2)nn1 ZINC001105278597 741634232 /nfs/dbraw/zinc/63/42/32/741634232.db2.gz MPCWLUQMPYJOHE-UHFFFAOYSA-N 1 1 343.387 0.821 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OC)c3cnn(C)c3)C2)nn1 ZINC001105292523 741656978 /nfs/dbraw/zinc/65/69/78/741656978.db2.gz SNUUFOSQDNXNNH-OAHLLOKOSA-N 1 1 345.407 0.058 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058730660 741762693 /nfs/dbraw/zinc/76/26/93/741762693.db2.gz DCQLEYKNUPNVOE-WMLDXEAASA-N 1 1 325.453 0.478 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ncc[nH]3)C(C)(C)C2)C1=O ZINC000974567676 741901355 /nfs/dbraw/zinc/90/13/55/741901355.db2.gz MEDKRAKSZOTIHR-QWHCGFSZSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ncc[nH]3)C(C)(C)C2)C1=O ZINC000974567676 741901358 /nfs/dbraw/zinc/90/13/58/741901358.db2.gz MEDKRAKSZOTIHR-QWHCGFSZSA-N 1 1 331.420 0.637 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974577910 741910559 /nfs/dbraw/zinc/91/05/59/741910559.db2.gz ANPYLGJGIUDZLJ-INIZCTEOSA-N 1 1 338.415 0.551 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974577910 741910560 /nfs/dbraw/zinc/91/05/60/741910560.db2.gz ANPYLGJGIUDZLJ-INIZCTEOSA-N 1 1 338.415 0.551 20 30 ECEDMO CC(C)(C)n1nnc(C[NH2+]C[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001026835380 741932654 /nfs/dbraw/zinc/93/26/54/741932654.db2.gz WKMVBNQJDVHZPI-AWEZNQCLSA-N 1 1 330.436 0.780 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000982173208 751683320 /nfs/dbraw/zinc/68/33/20/751683320.db2.gz HQSHUXGOBWIHOY-LZWOXQAQSA-N 1 1 349.431 0.307 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000982173208 751683323 /nfs/dbraw/zinc/68/33/23/751683323.db2.gz HQSHUXGOBWIHOY-LZWOXQAQSA-N 1 1 349.431 0.307 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cccnn2)C1 ZINC001006703093 751701802 /nfs/dbraw/zinc/70/18/02/751701802.db2.gz DTERSWRJNLLNND-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cccnn2)C1 ZINC001006703093 751701805 /nfs/dbraw/zinc/70/18/05/751701805.db2.gz DTERSWRJNLLNND-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000974868280 742274298 /nfs/dbraw/zinc/27/42/98/742274298.db2.gz GGXOAFDKONMLAL-KBPBESRZSA-N 1 1 343.418 0.802 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3csnn3)C(C)(C)C2)C1=O ZINC000974893330 742300314 /nfs/dbraw/zinc/30/03/14/742300314.db2.gz GOLQFTOUTLEMLX-QWHCGFSZSA-N 1 1 349.460 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3csnn3)C(C)(C)C2)C1=O ZINC000974893330 742300321 /nfs/dbraw/zinc/30/03/21/742300321.db2.gz GOLQFTOUTLEMLX-QWHCGFSZSA-N 1 1 349.460 0.765 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C(C)(C)C1 ZINC000974888209 742306979 /nfs/dbraw/zinc/30/69/79/742306979.db2.gz ACKZNABLWKKEFM-CQSZACIVSA-N 1 1 330.432 0.861 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+]([C@H]3CCNC3=O)CC2(C)C)c1 ZINC000975010863 742445823 /nfs/dbraw/zinc/44/58/23/742445823.db2.gz JJPAUFYPOMJUIJ-GJZGRUSLSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCNC3=O)CC2(C)C)c1 ZINC000975010863 742445825 /nfs/dbraw/zinc/44/58/25/742445825.db2.gz JJPAUFYPOMJUIJ-GJZGRUSLSA-N 1 1 326.400 0.392 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CC(=O)N3CCCC3)C[C@]2(C)C1 ZINC000982232843 751738090 /nfs/dbraw/zinc/73/80/90/751738090.db2.gz FEZSBXKWOMGKQZ-JCGIZDLHSA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](C[C@H](O)Cn3cccn3)C[C@]2(C)C1 ZINC000982233510 751739229 /nfs/dbraw/zinc/73/92/29/751739229.db2.gz SEUJJZJESSELTB-ATLSCFEFSA-N 1 1 345.447 0.574 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000975214445 742610962 /nfs/dbraw/zinc/61/09/62/742610962.db2.gz AUNDGGISAUXYAM-USXIJHARSA-N 1 1 329.444 0.801 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC001028935950 742916442 /nfs/dbraw/zinc/91/64/42/742916442.db2.gz NQQWOLCSSLEFKQ-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001028937362 742924140 /nfs/dbraw/zinc/92/41/40/742924140.db2.gz NWDHQUCUEQADOO-UKRRQHHQSA-N 1 1 342.399 0.034 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001028938846 742929994 /nfs/dbraw/zinc/92/99/94/742929994.db2.gz YSMQDGYXMPNRIE-AWEZNQCLSA-N 1 1 340.427 0.735 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1 ZINC000982256966 751779656 /nfs/dbraw/zinc/77/96/56/751779656.db2.gz DGESLGFEZNZIPH-HDICACEKSA-N 1 1 343.431 0.759 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001028980780 743061943 /nfs/dbraw/zinc/06/19/43/743061943.db2.gz XIYXZXYRWMKAEV-JTQLQIEISA-N 1 1 326.784 0.290 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000997067573 743192301 /nfs/dbraw/zinc/19/23/01/743192301.db2.gz ZBSLUCZRRFOSHY-SHBDPFAUSA-N 1 1 345.443 0.533 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CCOC2)C1 ZINC001006776442 751804003 /nfs/dbraw/zinc/80/40/03/751804003.db2.gz GFZDTLJLOOKDKO-FMKPAKJESA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CCOC2)C1 ZINC001006776442 751804013 /nfs/dbraw/zinc/80/40/13/751804013.db2.gz GFZDTLJLOOKDKO-FMKPAKJESA-N 1 1 333.432 0.084 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](C[NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001027233327 743243955 /nfs/dbraw/zinc/24/39/55/743243955.db2.gz ABLPDZKNUDHWGP-DLBZAZTESA-N 1 1 333.476 0.806 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001027233876 743246339 /nfs/dbraw/zinc/24/63/39/743246339.db2.gz MNVBGRDKRCKBGB-MRXNPFEDSA-N 1 1 343.475 0.703 20 30 ECEDMO C=C(Br)C[NH2+]C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000997161704 743298688 /nfs/dbraw/zinc/29/86/88/743298688.db2.gz PXLCOFNYSNGRER-UHFFFAOYSA-N 1 1 328.214 0.836 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1cnc(C#N)cn1 ZINC001126472943 743404350 /nfs/dbraw/zinc/40/43/50/743404350.db2.gz SPKYZDYMKALKEM-HNNXBMFYSA-N 1 1 346.435 0.402 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C[C@@H]21 ZINC000975960507 743411547 /nfs/dbraw/zinc/41/15/47/743411547.db2.gz ATKJFMZZLPNDLX-QEJZJMRPSA-N 1 1 329.404 0.801 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C[C@@H]21 ZINC000975966337 743433197 /nfs/dbraw/zinc/43/31/97/743433197.db2.gz YLGMTGBOGBIQSX-QEJZJMRPSA-N 1 1 329.404 0.801 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC([C@@H](C)NC(=O)c3ncn[nH]3)CC2)C1=O ZINC000997354377 743524663 /nfs/dbraw/zinc/52/46/63/743524663.db2.gz DGXWDXOBFRSYHY-OCCSQVGLSA-N 1 1 346.435 0.422 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC([C@@H](C)NC(=O)c3nc[nH]n3)CC2)C1=O ZINC000997354377 743524669 /nfs/dbraw/zinc/52/46/69/743524669.db2.gz DGXWDXOBFRSYHY-OCCSQVGLSA-N 1 1 346.435 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(OC)cs2)C1 ZINC000997367716 743539617 /nfs/dbraw/zinc/53/96/17/743539617.db2.gz PFDCZEXHNFCCJX-AWEZNQCLSA-N 1 1 347.440 0.795 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(OC)cs2)C1 ZINC000997367716 743539621 /nfs/dbraw/zinc/53/96/21/743539621.db2.gz PFDCZEXHNFCCJX-AWEZNQCLSA-N 1 1 347.440 0.795 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001027329726 743759771 /nfs/dbraw/zinc/75/97/71/743759771.db2.gz BLEQHHHVASQCHG-QWHCGFSZSA-N 1 1 349.435 0.399 20 30 ECEDMO C#CCN1C[C@]2(C)CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC000982282025 751856161 /nfs/dbraw/zinc/85/61/61/751856161.db2.gz IRYLMPNQDYDJAF-KDURUIRLSA-N 1 1 343.475 0.862 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@]2(C)C1 ZINC000982281306 751859203 /nfs/dbraw/zinc/85/92/03/751859203.db2.gz SLVNDOVWNQRFEL-KDURUIRLSA-N 1 1 345.443 0.575 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ocnc1C ZINC000976324582 743815915 /nfs/dbraw/zinc/81/59/15/743815915.db2.gz ALFUEDCPZSTLRJ-LJISPDSOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ocnc1C ZINC000976324582 743815918 /nfs/dbraw/zinc/81/59/18/743815918.db2.gz ALFUEDCPZSTLRJ-LJISPDSOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(C[NH2+]Cc3nnn(C)n3)CC2)cc1 ZINC000997959273 743905924 /nfs/dbraw/zinc/90/59/24/743905924.db2.gz KXOSHTDOXJDJBB-UHFFFAOYSA-N 1 1 338.415 0.833 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)n1 ZINC001059872889 751870519 /nfs/dbraw/zinc/87/05/19/751870519.db2.gz MNOCDBYRDXNKCW-LJISPDSOSA-N 1 1 340.431 0.846 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2O)cc1 ZINC001078243351 782545569 /nfs/dbraw/zinc/54/55/69/782545569.db2.gz HBOUHWGSTVSDRU-IAGOWNOFSA-N 1 1 334.416 0.602 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000998136213 743999093 /nfs/dbraw/zinc/99/90/93/743999093.db2.gz SBGQGTWRDXCNQH-KGLIPLIRSA-N 1 1 334.420 0.311 20 30 ECEDMO C#Cc1ccc(C(=O)N(CC)[C@H]2CCC[N@@H+](CC(N)=O)CC2)cn1 ZINC000998176942 744031144 /nfs/dbraw/zinc/03/11/44/744031144.db2.gz OZHUDXSOFZZXPV-INIZCTEOSA-N 1 1 328.416 0.865 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000998200166 744046559 /nfs/dbraw/zinc/04/65/59/744046559.db2.gz SUTOUSNMMFMXKO-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000976607179 744115515 /nfs/dbraw/zinc/11/55/15/744115515.db2.gz RMPQVSXIEBTISN-BARDWOONSA-N 1 1 335.448 0.492 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000976607179 744115518 /nfs/dbraw/zinc/11/55/18/744115518.db2.gz RMPQVSXIEBTISN-BARDWOONSA-N 1 1 335.448 0.492 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000976661253 744192893 /nfs/dbraw/zinc/19/28/93/744192893.db2.gz HTQPWCHYJJHARK-XLAFVOAESA-N 1 1 329.444 0.846 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001006849581 751899505 /nfs/dbraw/zinc/89/95/05/751899505.db2.gz DVHBNQHFCHJJQP-JKSUJKDBSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001006849581 751899516 /nfs/dbraw/zinc/89/95/16/751899516.db2.gz DVHBNQHFCHJJQP-JKSUJKDBSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001006849579 751900003 /nfs/dbraw/zinc/90/00/03/751900003.db2.gz DVHBNQHFCHJJQP-HZPDHXFCSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001006849579 751900005 /nfs/dbraw/zinc/90/00/05/751900005.db2.gz DVHBNQHFCHJJQP-HZPDHXFCSA-N 1 1 345.447 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]nc3C)C[C@H]21 ZINC000976733833 744258044 /nfs/dbraw/zinc/25/80/44/744258044.db2.gz DVRBQNXUHVIKJT-XUWVNRHRSA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]nc3C)C[C@H]21 ZINC000976733833 744258047 /nfs/dbraw/zinc/25/80/47/744258047.db2.gz DVRBQNXUHVIKJT-XUWVNRHRSA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnco1)C2 ZINC000998778468 744331786 /nfs/dbraw/zinc/33/17/86/744331786.db2.gz WAEIWCTUKFYBEM-QPSCCSFWSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnco1)C2 ZINC000998778468 744331787 /nfs/dbraw/zinc/33/17/87/744331787.db2.gz WAEIWCTUKFYBEM-QPSCCSFWSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000998819776 744359015 /nfs/dbraw/zinc/35/90/15/744359015.db2.gz XKAJCCDGWSQBGZ-KRWDZBQOSA-N 1 1 340.427 0.930 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000998819776 744359017 /nfs/dbraw/zinc/35/90/17/744359017.db2.gz XKAJCCDGWSQBGZ-KRWDZBQOSA-N 1 1 340.427 0.930 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnco1 ZINC000976879230 744440107 /nfs/dbraw/zinc/44/01/07/744440107.db2.gz DPUXITULVWQZFO-KFWWJZLASA-N 1 1 344.415 0.929 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnco1 ZINC000976879230 744440110 /nfs/dbraw/zinc/44/01/10/744440110.db2.gz DPUXITULVWQZFO-KFWWJZLASA-N 1 1 344.415 0.929 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000998976902 744444142 /nfs/dbraw/zinc/44/41/42/744444142.db2.gz UBCYIYJLYHGCFD-ZDUSSCGKSA-N 1 1 342.407 0.677 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)c3[nH]nnc3C)C2)C1=O ZINC000999213211 744569513 /nfs/dbraw/zinc/56/95/13/744569513.db2.gz NTINAPIZOBMBKX-WXRRBKDZSA-N 1 1 332.408 0.093 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000999277194 744598629 /nfs/dbraw/zinc/59/86/29/744598629.db2.gz FGVDUKPYARVHRI-SHBDPFAUSA-N 1 1 345.443 0.533 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccco1 ZINC000977038019 744602521 /nfs/dbraw/zinc/60/25/21/744602521.db2.gz WECRPRCOGHRBJZ-UIBIWLFHSA-N 1 1 341.411 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccco1 ZINC000977038019 744602524 /nfs/dbraw/zinc/60/25/24/744602524.db2.gz WECRPRCOGHRBJZ-UIBIWLFHSA-N 1 1 341.411 0.493 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CC([NH2+][C@H](C)c3nnnn3C)C2)c1 ZINC000999375627 744664812 /nfs/dbraw/zinc/66/48/12/744664812.db2.gz ITOIDSFXCLWLEP-VCANKDNSSA-N 1 1 339.403 0.540 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC2(CC2)C1 ZINC000977165175 744717346 /nfs/dbraw/zinc/71/73/46/744717346.db2.gz VBJNDOZNIJWUPM-VVLHAWIVSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC2(CC2)C1 ZINC000977165175 744717349 /nfs/dbraw/zinc/71/73/49/744717349.db2.gz VBJNDOZNIJWUPM-VVLHAWIVSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001027484960 744747366 /nfs/dbraw/zinc/74/73/66/744747366.db2.gz NQBLWEKZYRGJNJ-OAHLLOKOSA-N 1 1 329.400 0.720 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]31)C2 ZINC000977204682 744762729 /nfs/dbraw/zinc/76/27/29/744762729.db2.gz OYMGDADLEAWTSD-JCGRBJNKSA-N 1 1 341.415 0.487 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnns3)C2)nn1 ZINC001098626131 744804057 /nfs/dbraw/zinc/80/40/57/744804057.db2.gz LRDGXYQNZHQYRO-GFCCVEGCSA-N 1 1 333.421 0.883 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001027494125 744812976 /nfs/dbraw/zinc/81/29/76/744812976.db2.gz VNHANLJZLIFYGT-HNNXBMFYSA-N 1 1 343.493 0.911 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC2(C)C)nn1 ZINC000977270555 744826157 /nfs/dbraw/zinc/82/61/57/744826157.db2.gz CFTPNJWDYRQUDY-ZIAGYGMSSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC2(C)C)nn1 ZINC000977270555 744826159 /nfs/dbraw/zinc/82/61/59/744826159.db2.gz CFTPNJWDYRQUDY-ZIAGYGMSSA-N 1 1 346.435 0.183 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001027505228 744848182 /nfs/dbraw/zinc/84/81/82/744848182.db2.gz LZAODVPJKVBLNR-ZDUSSCGKSA-N 1 1 341.843 0.647 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001027505228 744848186 /nfs/dbraw/zinc/84/81/86/744848186.db2.gz LZAODVPJKVBLNR-ZDUSSCGKSA-N 1 1 341.843 0.647 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000977326298 744869856 /nfs/dbraw/zinc/86/98/56/744869856.db2.gz LDTLERKLQKQTGR-KGLIPLIRSA-N 1 1 343.493 0.813 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cccnn3)C(C)(C)C2)C1=O ZINC000977387548 744908829 /nfs/dbraw/zinc/90/88/29/744908829.db2.gz GVLQAMBTUOUUKQ-GJZGRUSLSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cccnn3)C(C)(C)C2)C1=O ZINC000977387548 744908832 /nfs/dbraw/zinc/90/88/32/744908832.db2.gz GVLQAMBTUOUUKQ-GJZGRUSLSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977388942 744910453 /nfs/dbraw/zinc/91/04/53/744910453.db2.gz OKSDCAXSCNIGRG-UKRRQHHQSA-N 1 1 333.436 0.941 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)C1=O ZINC000977390705 744911691 /nfs/dbraw/zinc/91/16/91/744911691.db2.gz OKDNQURXEAFAJF-KBPBESRZSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)C1=O ZINC000977390705 744911693 /nfs/dbraw/zinc/91/16/93/744911693.db2.gz OKDNQURXEAFAJF-KBPBESRZSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(OCC)cn3)C2)nn1 ZINC001105382235 744955224 /nfs/dbraw/zinc/95/52/24/744955224.db2.gz CLDSFKGHYYXGOU-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CC(NCc3ccn(C)n3)C2)CC1 ZINC000999871815 744976130 /nfs/dbraw/zinc/97/61/30/744976130.db2.gz ZRUOIEDRLHEITJ-UHFFFAOYSA-N 1 1 343.475 0.844 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999877653 744986594 /nfs/dbraw/zinc/98/65/94/744986594.db2.gz PLKKFIXHHMOYJR-AWEZNQCLSA-N 1 1 330.432 0.957 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977442696 744994286 /nfs/dbraw/zinc/99/42/86/744994286.db2.gz XEIFRSDBKBDRCG-UKRRQHHQSA-N 1 1 331.420 0.703 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977442696 744994290 /nfs/dbraw/zinc/99/42/90/744994290.db2.gz XEIFRSDBKBDRCG-UKRRQHHQSA-N 1 1 331.420 0.703 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1CCC[N@H+]1C ZINC000977477637 745034054 /nfs/dbraw/zinc/03/40/54/745034054.db2.gz DOBNAIGBCMPTRR-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000999904362 745041369 /nfs/dbraw/zinc/04/13/69/745041369.db2.gz KNNKRDLSIZIGHS-UHFFFAOYSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnsn3)nn2)C1 ZINC000999956757 745097618 /nfs/dbraw/zinc/09/76/18/745097618.db2.gz RWZZVYAPRAQNJG-LBPRGKRZSA-N 1 1 331.405 0.330 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cncs3)nn2)C1 ZINC000999964225 745108705 /nfs/dbraw/zinc/10/87/05/745108705.db2.gz WMNLSWVPNVSIOV-ZDUSSCGKSA-N 1 1 330.417 0.935 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3snnc3C)nn2)C1 ZINC000999966802 745111672 /nfs/dbraw/zinc/11/16/72/745111672.db2.gz MSSMZXITRADOMF-CYBMUJFWSA-N 1 1 345.432 0.638 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3COCCN3C)nn2)C1 ZINC000999973581 745122844 /nfs/dbraw/zinc/12/28/44/745122844.db2.gz GMGUIXSVELCOSE-HZPDHXFCSA-N 1 1 348.451 0.048 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnnn3C)nn2)C1 ZINC000999980116 745130311 /nfs/dbraw/zinc/13/03/11/745130311.db2.gz CSMKWLVENBADJS-CYBMUJFWSA-N 1 1 330.396 0.160 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC2(C)C)nc1 ZINC000977514537 745134536 /nfs/dbraw/zinc/13/45/36/745134536.db2.gz PYVVGYZUHSBUIL-LSDHHAIUSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC2(C)C)nc1 ZINC000977514537 745134540 /nfs/dbraw/zinc/13/45/40/745134540.db2.gz PYVVGYZUHSBUIL-LSDHHAIUSA-N 1 1 326.400 0.392 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CC(OCC)C3)nn2)C1 ZINC000999986446 745140417 /nfs/dbraw/zinc/14/04/17/745140417.db2.gz SMTXYTLGPXTGQH-WIHSUSGWSA-N 1 1 345.447 0.980 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC(=O)N(CC)C3)nn2)C1 ZINC000999987422 745142700 /nfs/dbraw/zinc/14/27/00/745142700.db2.gz NZYHAFFDFXSRNX-HIFRSBDPSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)nnc3C)nn2)C1 ZINC000999988364 745144335 /nfs/dbraw/zinc/14/43/35/745144335.db2.gz UFSQSMAZHAVJSC-OAHLLOKOSA-N 1 1 339.403 0.495 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(CC)n3)nn2)C1 ZINC000999989128 745145620 /nfs/dbraw/zinc/14/56/20/745145620.db2.gz DOCTYWWCXACXKA-ZDUSSCGKSA-N 1 1 330.396 0.252 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(CC)n3)nn2)C1 ZINC000999989123 745145881 /nfs/dbraw/zinc/14/58/81/745145881.db2.gz DOCTYWWCXACXKA-CYBMUJFWSA-N 1 1 330.396 0.252 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc4n(n3)CCO4)nn2)C1 ZINC000999993335 745151177 /nfs/dbraw/zinc/15/11/77/745151177.db2.gz RYECWYAYIRWSJB-CYBMUJFWSA-N 1 1 343.391 0.230 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc4n(n3)CCC4)nn2)C1 ZINC000999994632 745153837 /nfs/dbraw/zinc/15/38/37/745153837.db2.gz ZLNKLRRDJRKLDT-OAHLLOKOSA-N 1 1 341.419 0.784 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000977534285 745156308 /nfs/dbraw/zinc/15/63/08/745156308.db2.gz LDSWXQMSQCHHRP-XJKSGUPXSA-N 1 1 327.428 0.911 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000977534285 745156309 /nfs/dbraw/zinc/15/63/09/745156309.db2.gz LDSWXQMSQCHHRP-XJKSGUPXSA-N 1 1 327.428 0.911 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)nn(C)c3C)nn2)C1 ZINC000999999808 745161019 /nfs/dbraw/zinc/16/10/19/745161019.db2.gz FTNGNAPXSREFSG-HNNXBMFYSA-N 1 1 343.435 0.991 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2cccc(C(=O)NC)n2)C(C)(C)C1 ZINC000977548999 745170959 /nfs/dbraw/zinc/17/09/59/745170959.db2.gz YUKIZLBBUQGUBD-HNNXBMFYSA-N 1 1 328.416 0.905 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]nc3CC)nn2)C1 ZINC001000004905 745171197 /nfs/dbraw/zinc/17/11/97/745171197.db2.gz WSRVJVAJLXEHBD-ZDUSSCGKSA-N 1 1 329.408 0.926 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 ZINC001000019720 745189851 /nfs/dbraw/zinc/18/98/51/745189851.db2.gz FYNIRXOOECGYOK-LBPRGKRZSA-N 1 1 331.355 0.340 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3C=C)nn2)C1 ZINC001000019372 745189949 /nfs/dbraw/zinc/18/99/49/745189949.db2.gz DGJYMBFSPPVIMZ-OAGGEKHMSA-N 1 1 331.420 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(CCC)c3)nn2)C1 ZINC001000026927 745199872 /nfs/dbraw/zinc/19/98/72/745199872.db2.gz XJPVGTPUXDJECF-MRXNPFEDSA-N 1 1 341.419 0.695 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001000035772 745211692 /nfs/dbraw/zinc/21/16/92/745211692.db2.gz MEGFOQNATLXBIA-AWEZNQCLSA-N 1 1 327.392 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C(C)C)nn3)nn2)C1 ZINC001000036050 745213114 /nfs/dbraw/zinc/21/31/14/745213114.db2.gz NLYWFWQCQHUWDR-CQSZACIVSA-N 1 1 342.407 0.261 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)nn(C)c3F)nn2)C1 ZINC001000045916 745227572 /nfs/dbraw/zinc/22/75/72/745227572.db2.gz SAOWGJNNTWUWEO-ZDUSSCGKSA-N 1 1 347.398 0.822 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000977605629 745258277 /nfs/dbraw/zinc/25/82/77/745258277.db2.gz RWBRIRKEIYHPLY-VHDGCEQUSA-N 1 1 343.431 0.899 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027552344 745401944 /nfs/dbraw/zinc/40/19/44/745401944.db2.gz VMVLTRWRWJACLD-HZPDHXFCSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccccn4)[C@@H]3C2)C1=O ZINC000977694245 745407179 /nfs/dbraw/zinc/40/71/79/745407179.db2.gz DMODRXUEUOBCDV-PNBKFKSVSA-N 1 1 340.427 0.776 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC000977730948 745448422 /nfs/dbraw/zinc/44/84/22/745448422.db2.gz JIZTYRBYUBNLQQ-DZGCQCFKSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)nn2CC)C1 ZINC001000447893 745503811 /nfs/dbraw/zinc/50/38/11/745503811.db2.gz DUWVANKUNCTRFH-HNNXBMFYSA-N 1 1 343.431 0.250 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)nn2CC)C1 ZINC001000447893 745503816 /nfs/dbraw/zinc/50/38/16/745503816.db2.gz DUWVANKUNCTRFH-HNNXBMFYSA-N 1 1 343.431 0.250 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[C@H]1COCCO1 ZINC000977839534 745549318 /nfs/dbraw/zinc/54/93/18/745549318.db2.gz PITXVEBKXZJDET-AKHDSKFASA-N 1 1 340.423 0.748 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2)c1 ZINC001000557458 745593118 /nfs/dbraw/zinc/59/31/18/745593118.db2.gz ASAFIRDMGUBMKG-CQSZACIVSA-N 1 1 341.371 0.053 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)c1 ZINC001000557458 745593121 /nfs/dbraw/zinc/59/31/21/745593121.db2.gz ASAFIRDMGUBMKG-CQSZACIVSA-N 1 1 341.371 0.053 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N(C)C2CC2)nc1 ZINC001028269108 752016545 /nfs/dbraw/zinc/01/65/45/752016545.db2.gz GFUGBXMCNYZKJC-MRXNPFEDSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N(C)C2CC2)nc1 ZINC001028269108 752016549 /nfs/dbraw/zinc/01/65/49/752016549.db2.gz GFUGBXMCNYZKJC-MRXNPFEDSA-N 1 1 340.427 0.878 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccncc1C#N ZINC001126517691 745640901 /nfs/dbraw/zinc/64/09/01/745640901.db2.gz LSEFXTFWGAYJSB-HNNXBMFYSA-N 1 1 345.447 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1nccs1 ZINC000977921763 745651373 /nfs/dbraw/zinc/65/13/73/745651373.db2.gz UMFJRYFAIKUGHR-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1nccs1 ZINC000977921763 745651378 /nfs/dbraw/zinc/65/13/78/745651378.db2.gz UMFJRYFAIKUGHR-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1nccs1 ZINC000977921766 745651422 /nfs/dbraw/zinc/65/14/22/745651422.db2.gz UMFJRYFAIKUGHR-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1nccs1 ZINC000977921766 745651425 /nfs/dbraw/zinc/65/14/25/745651425.db2.gz UMFJRYFAIKUGHR-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccc[nH]1 ZINC000977930309 745686913 /nfs/dbraw/zinc/68/69/13/745686913.db2.gz SMKWUPBMLRHNHR-ZBFHGGJFSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccc[nH]1 ZINC000977930309 745686917 /nfs/dbraw/zinc/68/69/17/745686917.db2.gz SMKWUPBMLRHNHR-ZBFHGGJFSA-N 1 1 328.416 0.785 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccncc1C#N ZINC001126523727 745729806 /nfs/dbraw/zinc/72/98/06/745729806.db2.gz OQQWJJPVDYXASI-HOCLYGCPSA-N 1 1 345.447 0.720 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC000977974415 745732628 /nfs/dbraw/zinc/73/26/28/745732628.db2.gz IHQLISFTMAYIAY-HGTKMLMNSA-N 1 1 341.415 0.415 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccn(C)c4)[C@@H]3C2)C1=O ZINC000977985913 745749986 /nfs/dbraw/zinc/74/99/86/745749986.db2.gz WOTSITHXVFPKPF-WCXIOVBPSA-N 1 1 342.443 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2ncccn2)CC1 ZINC001000792433 745770531 /nfs/dbraw/zinc/77/05/31/745770531.db2.gz ZCVGHZWZDRJBDU-KRWDZBQOSA-N 1 1 339.443 0.823 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2ncccn2)CC1 ZINC001000792433 745770536 /nfs/dbraw/zinc/77/05/36/745770536.db2.gz ZCVGHZWZDRJBDU-KRWDZBQOSA-N 1 1 339.443 0.823 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087534793 745817188 /nfs/dbraw/zinc/81/71/88/745817188.db2.gz JUZXIYIHEVFAKF-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087534793 745817196 /nfs/dbraw/zinc/81/71/96/745817196.db2.gz JUZXIYIHEVFAKF-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C[C@@]2(C)C1 ZINC000982353774 752036740 /nfs/dbraw/zinc/03/67/40/752036740.db2.gz XSOOUWPBYAOTDD-OLMNPRSZSA-N 1 1 332.448 0.581 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001000898541 745878448 /nfs/dbraw/zinc/87/84/48/745878448.db2.gz NHLSDCYBUCDKPS-HNNXBMFYSA-N 1 1 348.834 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001000898541 745878453 /nfs/dbraw/zinc/87/84/53/745878453.db2.gz NHLSDCYBUCDKPS-HNNXBMFYSA-N 1 1 348.834 0.954 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2ccc(=O)n(CCOC)c2)CC1 ZINC001000901329 745880306 /nfs/dbraw/zinc/88/03/06/745880306.db2.gz INFJVDLFNKWQFO-UHFFFAOYSA-N 1 1 343.427 0.880 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+]CCn3cccn3)C2)CC1 ZINC001000995253 745959987 /nfs/dbraw/zinc/95/99/87/745959987.db2.gz XDXSEAURZAUMHJ-SFHVURJKSA-N 1 1 343.475 0.809 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC001001002146 745966695 /nfs/dbraw/zinc/96/66/95/745966695.db2.gz QGFIOHMEMMSCOA-DLBZAZTESA-N 1 1 335.448 0.947 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC000978169195 746003296 /nfs/dbraw/zinc/00/32/96/746003296.db2.gz SBHLKVWZBRBCJM-SUJAAXHWSA-N 1 1 335.448 0.350 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3CCNC3=O)CC2)c1 ZINC001001040776 746003479 /nfs/dbraw/zinc/00/34/79/746003479.db2.gz PQSJWMKFLQOGCS-QGZVFWFLSA-N 1 1 338.411 0.943 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001059337339 746010384 /nfs/dbraw/zinc/01/03/84/746010384.db2.gz GCUZVCTVCOPXPX-HNNXBMFYSA-N 1 1 325.453 0.886 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028449 752053487 /nfs/dbraw/zinc/05/34/87/752053487.db2.gz IYWUCYSCCRLSES-GOEBONIOSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028449 752053493 /nfs/dbraw/zinc/05/34/93/752053493.db2.gz IYWUCYSCCRLSES-GOEBONIOSA-N 1 1 341.415 0.867 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001007031522 752054882 /nfs/dbraw/zinc/05/48/82/752054882.db2.gz WNOBDRPOIXMINJ-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001007031522 752054890 /nfs/dbraw/zinc/05/48/90/752054890.db2.gz WNOBDRPOIXMINJ-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087573339 746077038 /nfs/dbraw/zinc/07/70/38/746077038.db2.gz GQLGOHAEJGFPDA-JKSUJKDBSA-N 1 1 339.403 0.714 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccccc1C#N ZINC001087573339 746077044 /nfs/dbraw/zinc/07/70/44/746077044.db2.gz GQLGOHAEJGFPDA-JKSUJKDBSA-N 1 1 339.403 0.714 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cn(CC)cn3)C2)nn1 ZINC001105360991 752059582 /nfs/dbraw/zinc/05/95/82/752059582.db2.gz MKVDBAJSAQMGKU-UHFFFAOYSA-N 1 1 329.408 0.857 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000984229929 746096522 /nfs/dbraw/zinc/09/65/22/746096522.db2.gz ZEZPWUILZDQINR-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1CC ZINC001087606841 746114709 /nfs/dbraw/zinc/11/47/09/746114709.db2.gz UCAPIHHBARAQRK-GARJFASQSA-N 1 1 328.800 0.306 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1CC ZINC001087606841 746114710 /nfs/dbraw/zinc/11/47/10/746114710.db2.gz UCAPIHHBARAQRK-GARJFASQSA-N 1 1 328.800 0.306 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ncccn1 ZINC000978272533 746122731 /nfs/dbraw/zinc/12/27/31/746122731.db2.gz RPPZCEHDBSZNRI-CABCVRRESA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ncccn1 ZINC000978272533 746122734 /nfs/dbraw/zinc/12/27/34/746122734.db2.gz RPPZCEHDBSZNRI-CABCVRRESA-N 1 1 341.415 0.247 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000978274575 746134367 /nfs/dbraw/zinc/13/43/67/746134367.db2.gz QJCBMDGOFSJFMO-MPTYRVRUSA-N 1 1 342.443 0.860 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nc(C)no3)C[C@H]21 ZINC000978278942 746140961 /nfs/dbraw/zinc/14/09/61/746140961.db2.gz FQUJUXZBGLHCSM-JONQDZQNSA-N 1 1 343.431 0.270 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nc(C)no3)C[C@H]21 ZINC000978278942 746140963 /nfs/dbraw/zinc/14/09/63/746140963.db2.gz FQUJUXZBGLHCSM-JONQDZQNSA-N 1 1 343.431 0.270 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1CC ZINC001087659151 746162776 /nfs/dbraw/zinc/16/27/76/746162776.db2.gz PYJBSNKYHFNMEA-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001059352052 746180878 /nfs/dbraw/zinc/18/08/78/746180878.db2.gz OANYYZNOQJMAIT-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1conc1C ZINC000978312400 746189723 /nfs/dbraw/zinc/18/97/23/746189723.db2.gz LKEQPTJPIVGUNQ-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1conc1C ZINC000978312400 746189725 /nfs/dbraw/zinc/18/97/25/746189725.db2.gz LKEQPTJPIVGUNQ-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001001257326 746215934 /nfs/dbraw/zinc/21/59/34/746215934.db2.gz QJIWHRZHKYBZPO-HNNXBMFYSA-N 1 1 343.431 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001001257326 746215940 /nfs/dbraw/zinc/21/59/40/746215940.db2.gz QJIWHRZHKYBZPO-HNNXBMFYSA-N 1 1 343.431 0.312 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccncc2F)C1 ZINC001001284676 746245113 /nfs/dbraw/zinc/24/51/13/746245113.db2.gz NMUQJAIWYCXWOE-INIZCTEOSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccncc2F)C1 ZINC001001284676 746245119 /nfs/dbraw/zinc/24/51/19/746245119.db2.gz NMUQJAIWYCXWOE-INIZCTEOSA-N 1 1 344.390 0.507 20 30 ECEDMO C=C1CCC(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001001305117 746263040 /nfs/dbraw/zinc/26/30/40/746263040.db2.gz VRZDZAJWLMBMNP-INIZCTEOSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C1CCC(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001001305117 746263046 /nfs/dbraw/zinc/26/30/46/746263046.db2.gz VRZDZAJWLMBMNP-INIZCTEOSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCN(C)C(=O)C3)[C@@H]2C1 ZINC000978397022 746278453 /nfs/dbraw/zinc/27/84/53/746278453.db2.gz VKVMJPWXNZWVOT-SYQHCUMBSA-N 1 1 325.840 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ocnc2C)C1 ZINC001001336238 746286926 /nfs/dbraw/zinc/28/69/26/746286926.db2.gz IOOGCYYFPCFUCE-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ocnc2C)C1 ZINC001001336238 746286930 /nfs/dbraw/zinc/28/69/30/746286930.db2.gz IOOGCYYFPCFUCE-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H]1CC ZINC001087762360 746297502 /nfs/dbraw/zinc/29/75/02/746297502.db2.gz QDBYWIKDOZLMLC-LSDHHAIUSA-N 1 1 341.415 0.937 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncccn3)[C@H]2CC)C1=O ZINC001087770576 746308980 /nfs/dbraw/zinc/30/89/80/746308980.db2.gz LYMZSOKGZWJFFR-RRFJBIMHSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncccn3)[C@H]2CC)C1=O ZINC001087770576 746308987 /nfs/dbraw/zinc/30/89/87/746308987.db2.gz LYMZSOKGZWJFFR-RRFJBIMHSA-N 1 1 343.431 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC000984351687 746322081 /nfs/dbraw/zinc/32/20/81/746322081.db2.gz RADNBVKKJMCLKE-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC000984351687 746322085 /nfs/dbraw/zinc/32/20/85/746322085.db2.gz RADNBVKKJMCLKE-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC000984351687 746322091 /nfs/dbraw/zinc/32/20/91/746322091.db2.gz RADNBVKKJMCLKE-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC000984351687 746322097 /nfs/dbraw/zinc/32/20/97/746322097.db2.gz RADNBVKKJMCLKE-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@H](C)C(=O)N(C)C)CC2)nc1 ZINC001001383931 746330159 /nfs/dbraw/zinc/33/01/59/746330159.db2.gz NUCRYAQWWFEWIO-CQSZACIVSA-N 1 1 340.427 0.902 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1CC ZINC001087784731 746336716 /nfs/dbraw/zinc/33/67/16/746336716.db2.gz URPIWEKGTXGRIY-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1=O ZINC001027625782 746352664 /nfs/dbraw/zinc/35/26/64/746352664.db2.gz WZCIJZNVOXTZQA-STQMWFEESA-N 1 1 332.408 0.128 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3CC(F)F)[C@@H]2C1 ZINC000978530505 746410451 /nfs/dbraw/zinc/41/04/51/746410451.db2.gz ZPWANZSULGCGQQ-XQLPTFJDSA-N 1 1 341.402 0.270 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cncc(-n4ccnn4)c3)[C@@H]2C1 ZINC000978551642 746420403 /nfs/dbraw/zinc/42/04/03/746420403.db2.gz QYRMOPCRDRAHSB-OSYLJGHBSA-N 1 1 336.399 0.593 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C[C@H](O)Cn3cccn3)C2)[nH]1 ZINC001007096308 752082663 /nfs/dbraw/zinc/08/26/63/752082663.db2.gz DKIMVLVOEZZHOT-GJZGRUSLSA-N 1 1 342.403 0.338 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4cncn4)nc3)[C@@H]2C1 ZINC000978541352 746425532 /nfs/dbraw/zinc/42/55/32/746425532.db2.gz RKNOEACJZZENNC-PHZGNYQRSA-N 1 1 336.399 0.593 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3nonc3C)CC2)C1=O ZINC001001494619 746432282 /nfs/dbraw/zinc/43/22/82/746432282.db2.gz SOJAQHMWTMNKJT-CQSZACIVSA-N 1 1 345.403 0.527 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001516343 746453648 /nfs/dbraw/zinc/45/36/48/746453648.db2.gz WVQGMFFKWFYPCQ-BETUJISGSA-N 1 1 343.431 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)cc1 ZINC000978578097 746456928 /nfs/dbraw/zinc/45/69/28/746456928.db2.gz BXQWIUZRDSYZFV-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)cc1 ZINC000978578097 746456931 /nfs/dbraw/zinc/45/69/31/746456931.db2.gz BXQWIUZRDSYZFV-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC000978610575 746487598 /nfs/dbraw/zinc/48/75/98/746487598.db2.gz VDVICDOQNRRUED-LUKYLMHMSA-N 1 1 338.411 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2coc(C)n2)C1 ZINC001001565918 746499374 /nfs/dbraw/zinc/49/93/74/746499374.db2.gz PJNGGYREMQGUQU-HNNXBMFYSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2coc(C)n2)C1 ZINC001001565918 746499375 /nfs/dbraw/zinc/49/93/75/746499375.db2.gz PJNGGYREMQGUQU-HNNXBMFYSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1nccc(C)n1 ZINC001126555178 746506131 /nfs/dbraw/zinc/50/61/31/746506131.db2.gz DUSKVTFTAUQSJH-INIZCTEOSA-N 1 1 345.447 0.452 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1nccc(C)n1 ZINC001126555178 746506133 /nfs/dbraw/zinc/50/61/33/746506133.db2.gz DUSKVTFTAUQSJH-INIZCTEOSA-N 1 1 345.447 0.452 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1cccc(F)n1 ZINC001126556050 746527041 /nfs/dbraw/zinc/52/70/41/746527041.db2.gz ZEUALZYIMLBXAR-HNNXBMFYSA-N 1 1 348.422 0.887 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1cccc(F)n1 ZINC001126556050 746527043 /nfs/dbraw/zinc/52/70/43/746527043.db2.gz ZEUALZYIMLBXAR-HNNXBMFYSA-N 1 1 348.422 0.887 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)c(F)c1 ZINC001041986665 782552644 /nfs/dbraw/zinc/55/26/44/782552644.db2.gz SIHKDYCIHAFOJC-BBRMVZONSA-N 1 1 344.390 0.996 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978649584 746542453 /nfs/dbraw/zinc/54/24/53/746542453.db2.gz JJOMRCXSGQRWSY-LNSITVRQSA-N 1 1 329.404 0.605 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)c1 ZINC000978679486 746576973 /nfs/dbraw/zinc/57/69/73/746576973.db2.gz BHXBATJMJMINLI-WCXIOVBPSA-N 1 1 338.411 0.249 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978682867 746580581 /nfs/dbraw/zinc/58/05/81/746580581.db2.gz DMAFHKAQZVLLAQ-LNSITVRQSA-N 1 1 329.404 0.605 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@H](CC)C(N)=O)C2)nc1 ZINC001027656667 746599836 /nfs/dbraw/zinc/59/98/36/746599836.db2.gz WRAOEWZYEGROBV-GOEBONIOSA-N 1 1 328.416 0.863 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)c1 ZINC000978717143 746617402 /nfs/dbraw/zinc/61/74/02/746617402.db2.gz YDAKCVKFRPGCMB-WCXIOVBPSA-N 1 1 338.411 0.201 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059396640 746622280 /nfs/dbraw/zinc/62/22/80/746622280.db2.gz CREAZEXZTKKFBY-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059396640 746622283 /nfs/dbraw/zinc/62/22/83/746622283.db2.gz CREAZEXZTKKFBY-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cncn3C)C[C@H]21 ZINC000978714710 746628804 /nfs/dbraw/zinc/62/88/04/746628804.db2.gz GNGNWRCRGSUXNG-MTSZKFMLSA-N 1 1 330.432 0.805 20 30 ECEDMO Cn1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1=O ZINC001007135358 752114175 /nfs/dbraw/zinc/11/41/75/752114175.db2.gz WQKNUTFLFKBJPI-OAHLLOKOSA-N 1 1 339.399 0.979 20 30 ECEDMO CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)CSCC#N ZINC001211886703 746740015 /nfs/dbraw/zinc/74/00/15/746740015.db2.gz VDRGKQRVHWZUMJ-UTUOFQBUSA-N 1 1 349.403 0.483 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)CSCC#N ZINC001211886703 746740018 /nfs/dbraw/zinc/74/00/18/746740018.db2.gz VDRGKQRVHWZUMJ-UTUOFQBUSA-N 1 1 349.403 0.483 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cccc(C)c3=O)C[C@@H]2C1 ZINC001087965292 746755650 /nfs/dbraw/zinc/75/56/50/746755650.db2.gz YPRXEJXBQGBJRM-SJORKVTESA-N 1 1 327.428 0.960 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001007144726 752121427 /nfs/dbraw/zinc/12/14/27/752121427.db2.gz UQFSBEZBMXJHDU-OAHLLOKOSA-N 1 1 341.419 0.989 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnc[nH]3)[C@@H]2C1 ZINC000978881214 746823884 /nfs/dbraw/zinc/82/38/84/746823884.db2.gz VXCIAHHZDVDEQS-OWUUHHOZSA-N 1 1 326.198 0.621 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn[nH]3)[C@@H]2C1 ZINC000978881214 746823891 /nfs/dbraw/zinc/82/38/91/746823891.db2.gz VXCIAHHZDVDEQS-OWUUHHOZSA-N 1 1 326.198 0.621 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn[nH]3)[C@@H]2C1 ZINC000978881214 746823897 /nfs/dbraw/zinc/82/38/97/746823897.db2.gz VXCIAHHZDVDEQS-OWUUHHOZSA-N 1 1 326.198 0.621 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc[nH]n3)[C@@H]2C1 ZINC000978881214 746823904 /nfs/dbraw/zinc/82/39/04/746823904.db2.gz VXCIAHHZDVDEQS-OWUUHHOZSA-N 1 1 326.198 0.621 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc[nH]n3)[C@@H]2C1 ZINC000978881214 746823909 /nfs/dbraw/zinc/82/39/09/746823909.db2.gz VXCIAHHZDVDEQS-OWUUHHOZSA-N 1 1 326.198 0.621 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnon3)[C@@H]2C1 ZINC000978889962 746836277 /nfs/dbraw/zinc/83/62/77/746836277.db2.gz OUWORSBEXFGRMY-OWUUHHOZSA-N 1 1 327.182 0.886 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001001978600 746858537 /nfs/dbraw/zinc/85/85/37/746858537.db2.gz RKPIIPHMTCMVNP-OAHLLOKOSA-N 1 1 326.400 0.203 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)[nH]1 ZINC001007151864 752130917 /nfs/dbraw/zinc/13/09/17/752130917.db2.gz KYRPLXYRZMTIJS-ZDUSSCGKSA-N 1 1 330.392 0.106 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N(C)C ZINC001029482207 746903522 /nfs/dbraw/zinc/90/35/22/746903522.db2.gz ZSTSBYHRUTYKEF-LJIZCISZSA-N 1 1 335.448 0.729 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(C)C ZINC001029482207 746903525 /nfs/dbraw/zinc/90/35/25/746903525.db2.gz ZSTSBYHRUTYKEF-LJIZCISZSA-N 1 1 335.448 0.729 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)n1 ZINC001059436029 746923384 /nfs/dbraw/zinc/92/33/84/746923384.db2.gz DQDHKDPNFBERTD-TUVASFSCSA-N 1 1 340.431 0.846 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000984790491 746939617 /nfs/dbraw/zinc/93/96/17/746939617.db2.gz VCXOBVUZIADMSK-UHOFOFEASA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncoc2C)C1 ZINC000978951937 746944219 /nfs/dbraw/zinc/94/42/19/746944219.db2.gz DQKQEIDSKIVJKQ-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncoc2C)C1 ZINC000978951937 746944225 /nfs/dbraw/zinc/94/42/25/746944225.db2.gz DQKQEIDSKIVJKQ-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000978954744 746950976 /nfs/dbraw/zinc/95/09/76/746950976.db2.gz XTKXNXASXXGWJZ-MJBXVCDLSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000978954744 746950979 /nfs/dbraw/zinc/95/09/79/746950979.db2.gz XTKXNXASXXGWJZ-MJBXVCDLSA-N 1 1 329.404 0.132 20 30 ECEDMO N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001059446570 746984326 /nfs/dbraw/zinc/98/43/26/746984326.db2.gz ZUHFAMCPWKGKAB-QBYUYEEZSA-N 1 1 341.415 0.297 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC001002130028 747010351 /nfs/dbraw/zinc/01/03/51/747010351.db2.gz IZQNYNRDOBEZMX-WCVJEAGWSA-N 1 1 341.415 0.842 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000984890189 747048685 /nfs/dbraw/zinc/04/86/85/747048685.db2.gz CDQJXRHSNBWEHE-DUVNUKRYSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc(C)nc(OC)n2)C1 ZINC001059455967 747072271 /nfs/dbraw/zinc/07/22/71/747072271.db2.gz NGSZBIOEJGKMSK-KKUMJFAQSA-N 1 1 343.431 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc(C)nc(OC)n2)C1 ZINC001059455967 747072278 /nfs/dbraw/zinc/07/22/78/747072278.db2.gz NGSZBIOEJGKMSK-KKUMJFAQSA-N 1 1 343.431 0.950 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001002200137 747077280 /nfs/dbraw/zinc/07/72/80/747077280.db2.gz IYDFDHXBJDILMU-RDJZCZTQSA-N 1 1 346.431 0.747 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1cn[nH]c1 ZINC001002208172 747084931 /nfs/dbraw/zinc/08/49/31/747084931.db2.gz QHEODXGIPMAVFS-CVEARBPZSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1cn[nH]c1 ZINC001002208172 747084933 /nfs/dbraw/zinc/08/49/33/747084933.db2.gz QHEODXGIPMAVFS-CVEARBPZSA-N 1 1 343.431 0.570 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001002234244 747109745 /nfs/dbraw/zinc/10/97/45/747109745.db2.gz QUMPBIJOOKFARL-OAGGEKHMSA-N 1 1 335.448 0.494 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4c(c3)nnn4C)C[C@@H]2C1 ZINC001088045377 747140389 /nfs/dbraw/zinc/14/03/89/747140389.db2.gz PPOSZTMYJCLKEX-HIFRSBDPSA-N 1 1 338.415 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1cocn1 ZINC001002268516 747144421 /nfs/dbraw/zinc/14/44/21/747144421.db2.gz MWGCZPFGVXGSLH-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1cocn1 ZINC001002268516 747144423 /nfs/dbraw/zinc/14/44/23/747144423.db2.gz MWGCZPFGVXGSLH-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cocn1 ZINC001002268513 747144526 /nfs/dbraw/zinc/14/45/26/747144526.db2.gz MWGCZPFGVXGSLH-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cocn1 ZINC001002268513 747144527 /nfs/dbraw/zinc/14/45/27/747144527.db2.gz MWGCZPFGVXGSLH-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nc(C)nn4C3)C[C@@H]2C1 ZINC001088050288 747146294 /nfs/dbraw/zinc/14/62/94/747146294.db2.gz ZVOMOAXDAZHMEI-IKGGRYGDSA-N 1 1 341.459 0.953 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@@H]2C1 ZINC001088054712 747163547 /nfs/dbraw/zinc/16/35/47/747163547.db2.gz RFANLZPIJATJKU-OAGGEKHMSA-N 1 1 342.443 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2C=CC=CC=C2)C1 ZINC001002319883 747216302 /nfs/dbraw/zinc/21/63/02/747216302.db2.gz MQGUHRMRYGOEAT-SFHVURJKSA-N 1 1 339.439 0.957 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2C=CC=CC=C2)C1 ZINC001002319883 747216307 /nfs/dbraw/zinc/21/63/07/747216307.db2.gz MQGUHRMRYGOEAT-SFHVURJKSA-N 1 1 339.439 0.957 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC001002516285 747456968 /nfs/dbraw/zinc/45/69/68/747456968.db2.gz LUJROKSXEDQUDO-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000982430753 752187106 /nfs/dbraw/zinc/18/71/06/752187106.db2.gz IKVBTDIGGSVSBX-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000982430753 752187107 /nfs/dbraw/zinc/18/71/07/752187107.db2.gz IKVBTDIGGSVSBX-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088164156 747562080 /nfs/dbraw/zinc/56/20/80/747562080.db2.gz XNVLWKNYGBBWIS-PMPSAXMXSA-N 1 1 343.431 0.657 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cnccn3)CC2)C1=O ZINC000985225603 747575773 /nfs/dbraw/zinc/57/57/73/747575773.db2.gz KVHYXUNKBWIOOU-MRXNPFEDSA-N 1 1 343.431 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC001002637399 747599762 /nfs/dbraw/zinc/59/97/62/747599762.db2.gz ICCRSANHMFJKBI-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC001002637399 747599768 /nfs/dbraw/zinc/59/97/68/747599768.db2.gz ICCRSANHMFJKBI-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979311091 747603814 /nfs/dbraw/zinc/60/38/14/747603814.db2.gz MILSAKZMCFAFPU-GMZLATJGSA-N 1 1 343.431 0.709 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ncoc2C)C1=O ZINC001027780511 747648483 /nfs/dbraw/zinc/64/84/83/747648483.db2.gz QTXGEVGEQQOHCG-UONOGXRCSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ncoc2C)C1=O ZINC001027780511 747648487 /nfs/dbraw/zinc/64/84/87/747648487.db2.gz QTXGEVGEQQOHCG-UONOGXRCSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2nnnn2C2CC2)C1 ZINC000979380719 747707578 /nfs/dbraw/zinc/70/75/78/747707578.db2.gz UPWYGFINJBKZAM-GXTWGEPZSA-N 1 1 348.451 0.926 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(C)on3)C[C@@H]2C1 ZINC001088198854 747724736 /nfs/dbraw/zinc/72/47/36/747724736.db2.gz MGDFDHSABHDNJH-KGLIPLIRSA-N 1 1 330.388 0.725 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cocn3)CC2)C1=O ZINC000985333224 747736926 /nfs/dbraw/zinc/73/69/26/747736926.db2.gz CZBMBQWVAZJQIU-OAHLLOKOSA-N 1 1 332.404 0.998 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]Cc3nncn3C)C2)C1 ZINC000979386499 747744840 /nfs/dbraw/zinc/74/48/40/747744840.db2.gz YBMZIAQJVHDVLH-UONOGXRCSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3ccnn3C)C2)C1=O ZINC001007227337 752207105 /nfs/dbraw/zinc/20/71/05/752207105.db2.gz OVWFUGVDUCRKNQ-ZBFHGGJFSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ccnn3C)C2)C1=O ZINC001007227337 752207111 /nfs/dbraw/zinc/20/71/11/752207111.db2.gz OVWFUGVDUCRKNQ-ZBFHGGJFSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3ccnn3C)C2)C1=O ZINC001007227336 752207141 /nfs/dbraw/zinc/20/71/41/752207141.db2.gz OVWFUGVDUCRKNQ-HOCLYGCPSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3ccnn3C)C2)C1=O ZINC001007227336 752207148 /nfs/dbraw/zinc/20/71/48/752207148.db2.gz OVWFUGVDUCRKNQ-HOCLYGCPSA-N 1 1 345.447 0.330 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)CCN2CCCS2(=O)=O)CC1 ZINC000985339820 747750511 /nfs/dbraw/zinc/75/05/11/747750511.db2.gz ZZSHJWUZTXCUAN-CYBMUJFWSA-N 1 1 342.465 0.104 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)c2ccnc(C#N)n2)C1 ZINC001112181561 747788896 /nfs/dbraw/zinc/78/88/96/747788896.db2.gz RODJHQAEQIBIEX-AWEZNQCLSA-N 1 1 330.436 0.975 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)c1ccnc(C#N)n1 ZINC001112181797 747795010 /nfs/dbraw/zinc/79/50/10/747795010.db2.gz YPGUSRRNEXSGFE-ZIAGYGMSSA-N 1 1 330.436 0.831 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985364225 747799755 /nfs/dbraw/zinc/79/97/55/747799755.db2.gz COTJKDJBNVRJMJ-LLVKDONJSA-N 1 1 342.407 0.707 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985364225 747799759 /nfs/dbraw/zinc/79/97/59/747799759.db2.gz COTJKDJBNVRJMJ-LLVKDONJSA-N 1 1 342.407 0.707 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC001088234358 747803492 /nfs/dbraw/zinc/80/34/92/747803492.db2.gz POBWRGDHUXVEQW-MRXNPFEDSA-N 1 1 344.415 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2conc2C)C1 ZINC001002825344 747837375 /nfs/dbraw/zinc/83/73/75/747837375.db2.gz CMDXSVWMKPCBSY-HNNXBMFYSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2conc2C)C1 ZINC001002825344 747837377 /nfs/dbraw/zinc/83/73/77/747837377.db2.gz CMDXSVWMKPCBSY-HNNXBMFYSA-N 1 1 330.388 0.269 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC001088237459 747838282 /nfs/dbraw/zinc/83/82/82/747838282.db2.gz UUKBLULDMOYMOE-HNNXBMFYSA-N 1 1 346.431 0.899 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000988498064 752216453 /nfs/dbraw/zinc/21/64/53/752216453.db2.gz CXKPDNPRBCOHAC-DGCLKSJQSA-N 1 1 342.407 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2(C)CCOCC2)C1 ZINC001002827573 747841866 /nfs/dbraw/zinc/84/18/66/747841866.db2.gz WMMYEVDUWDVKNQ-INIZCTEOSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2(C)CCOCC2)C1 ZINC001002827573 747841868 /nfs/dbraw/zinc/84/18/68/747841868.db2.gz WMMYEVDUWDVKNQ-INIZCTEOSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CCCO2)C1 ZINC001002829796 747846414 /nfs/dbraw/zinc/84/64/14/747846414.db2.gz OOPBDTZLVSPSOG-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CCCO2)C1 ZINC001002829796 747846422 /nfs/dbraw/zinc/84/64/22/747846422.db2.gz OOPBDTZLVSPSOG-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO Cn1ncc(C[N@H+](C)C2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC000985382144 747846767 /nfs/dbraw/zinc/84/67/67/747846767.db2.gz XTLDZJNKBJDWRM-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC000985382144 747846774 /nfs/dbraw/zinc/84/67/74/747846774.db2.gz XTLDZJNKBJDWRM-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1nncc1C[N@@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985383903 747855369 /nfs/dbraw/zinc/85/53/69/747855369.db2.gz COLLUOVCJTVCSO-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO C#CCN1CC[C@H](OCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001088239715 747935736 /nfs/dbraw/zinc/93/57/36/747935736.db2.gz DVBMWPHVCPOWGX-ROUUACIJSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCN1CC[C@H](OCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001088239715 747935738 /nfs/dbraw/zinc/93/57/38/747935738.db2.gz DVBMWPHVCPOWGX-ROUUACIJSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001088240227 747943011 /nfs/dbraw/zinc/94/30/11/747943011.db2.gz SEKBUFDKFZEEAS-KRWDZBQOSA-N 1 1 345.447 0.631 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)Cn3nccn3)CC2)s1 ZINC001002919286 747960081 /nfs/dbraw/zinc/96/00/81/747960081.db2.gz UANCCTJJCFUQCO-UHFFFAOYSA-N 1 1 330.417 0.992 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cccc(=O)[nH]2)C1=O ZINC001027811117 747969221 /nfs/dbraw/zinc/96/92/21/747969221.db2.gz AXTSMKHCZUKTLS-DZGCQCFKSA-N 1 1 344.415 0.768 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N1CCC(OCC2CC2)CC1 ZINC000261690372 752229225 /nfs/dbraw/zinc/22/92/25/752229225.db2.gz FBYRGFOAFLFWLK-MRXNPFEDSA-N 1 1 337.512 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cocn3)C2)C1=O ZINC001029674146 748030598 /nfs/dbraw/zinc/03/05/98/748030598.db2.gz CWOVXTPPCWKSBJ-ZFWWWQNUSA-N 1 1 332.404 0.855 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)c3cn(C)cn3)C2)C1=O ZINC001029703346 748100927 /nfs/dbraw/zinc/10/09/27/748100927.db2.gz CSVQAPOIFGNAQL-GDBMZVCRSA-N 1 1 345.447 0.601 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2[nH]cnc2CC)C1=O ZINC001028290072 752241124 /nfs/dbraw/zinc/24/11/24/752241124.db2.gz NZMFZFDUMIHXPB-HIFRSBDPSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2[nH]cnc2CC)C1=O ZINC001028290072 752241129 /nfs/dbraw/zinc/24/11/29/752241129.db2.gz NZMFZFDUMIHXPB-HIFRSBDPSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nnc(CC)o2)CC1 ZINC001003056850 748125211 /nfs/dbraw/zinc/12/52/11/748125211.db2.gz UZIKPKLEHSLKQW-HNNXBMFYSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nnc(CC)o2)CC1 ZINC001003056850 748125216 /nfs/dbraw/zinc/12/52/16/748125216.db2.gz UZIKPKLEHSLKQW-HNNXBMFYSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC000979652628 748162154 /nfs/dbraw/zinc/16/21/54/748162154.db2.gz KLGKRBVTAVZHGP-QAETUUGQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC000979652628 748162156 /nfs/dbraw/zinc/16/21/56/748162156.db2.gz KLGKRBVTAVZHGP-QAETUUGQSA-N 1 1 347.459 0.664 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979659348 748174271 /nfs/dbraw/zinc/17/42/71/748174271.db2.gz XSSRGFLJLDMMFU-NZBPQXDJSA-N 1 1 343.431 0.709 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)CC3(O)CCC3)C2)C1=O ZINC001029732548 748184375 /nfs/dbraw/zinc/18/43/75/748184375.db2.gz XDVSAODEEBVKPD-HZPDHXFCSA-N 1 1 349.475 0.859 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979664744 748184625 /nfs/dbraw/zinc/18/46/25/748184625.db2.gz MALLWLBOGMQWLR-MQMHXKEQSA-N 1 1 340.387 0.716 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1 ZINC001075856774 748224405 /nfs/dbraw/zinc/22/44/05/748224405.db2.gz IVDZWYUHEYZAAF-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO C[NH+]=C(NCc1cn[nH]c1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261694270 752252309 /nfs/dbraw/zinc/25/23/09/752252309.db2.gz FLCRPRMEYWUANT-INIZCTEOSA-N 1 1 347.423 0.104 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nncs2)C1 ZINC001029757765 748268110 /nfs/dbraw/zinc/26/81/10/748268110.db2.gz GXCLLKFVPMNQCI-CABCVRRESA-N 1 1 347.488 0.916 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nncs2)C1 ZINC001029757765 748268114 /nfs/dbraw/zinc/26/81/14/748268114.db2.gz GXCLLKFVPMNQCI-CABCVRRESA-N 1 1 347.488 0.916 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000979781583 748382362 /nfs/dbraw/zinc/38/23/62/748382362.db2.gz WQCOLMMPLDGPFJ-FRFSOERESA-N 1 1 340.427 0.639 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000979772892 748397611 /nfs/dbraw/zinc/39/76/11/748397611.db2.gz FNWYWUZCUVCZKK-QAETUUGQSA-N 1 1 346.475 0.047 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001088281783 748482049 /nfs/dbraw/zinc/48/20/49/748482049.db2.gz TVJAMZQANUFKDS-KBPBESRZSA-N 1 1 346.435 0.829 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001029803176 748487395 /nfs/dbraw/zinc/48/73/95/748487395.db2.gz JYOZTRHACDZEAW-YOEHRIQHSA-N 1 1 340.427 0.975 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001027845098 748558840 /nfs/dbraw/zinc/55/88/40/748558840.db2.gz HJFBYPZUGZMYKQ-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001027845098 748558843 /nfs/dbraw/zinc/55/88/43/748558843.db2.gz HJFBYPZUGZMYKQ-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC001003468925 748586671 /nfs/dbraw/zinc/58/66/71/748586671.db2.gz YMPUPTOVHKLUBZ-XJKSGUPXSA-N 1 1 340.427 0.449 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029822010 748603992 /nfs/dbraw/zinc/60/39/92/748603992.db2.gz WXWHPVNTIMTOQI-HZPDHXFCSA-N 1 1 341.415 0.520 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCN(C)C3=O)C2)c1 ZINC001029835557 748669291 /nfs/dbraw/zinc/66/92/91/748669291.db2.gz SXNYVFCXKOXIGG-WBVHZDCISA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)c1 ZINC001003593625 748710112 /nfs/dbraw/zinc/71/01/12/748710112.db2.gz APFNPVUCILAETI-UHFFFAOYSA-N 1 1 326.400 0.536 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3ccn(C)n3)C2)C1=O ZINC001007322231 752290436 /nfs/dbraw/zinc/29/04/36/752290436.db2.gz WLVGPKWZISFZPQ-HZPDHXFCSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ccn(C)n3)C2)C1=O ZINC001007322231 752290438 /nfs/dbraw/zinc/29/04/38/752290438.db2.gz WLVGPKWZISFZPQ-HZPDHXFCSA-N 1 1 345.447 0.330 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@@H]1COC(=O)N1 ZINC001027857901 748754922 /nfs/dbraw/zinc/75/49/22/748754922.db2.gz ALRKWBIGGPLOMO-HOTGVXAUSA-N 1 1 327.384 0.727 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@@H]1COC(=O)N1 ZINC001027857901 748754928 /nfs/dbraw/zinc/75/49/28/748754928.db2.gz ALRKWBIGGPLOMO-HOTGVXAUSA-N 1 1 327.384 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C)no2)C1 ZINC000979966646 748758318 /nfs/dbraw/zinc/75/83/18/748758318.db2.gz BMIPWZDYVMQHOI-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C)no2)C1 ZINC000979966646 748758322 /nfs/dbraw/zinc/75/83/22/748758322.db2.gz BMIPWZDYVMQHOI-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2coc(C)n2)C1 ZINC000979968509 748761758 /nfs/dbraw/zinc/76/17/58/748761758.db2.gz RWSZICNAJMRKJN-DZKIICNBSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2coc(C)n2)C1 ZINC000979968509 748761761 /nfs/dbraw/zinc/76/17/61/748761761.db2.gz RWSZICNAJMRKJN-DZKIICNBSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000979969145 748763039 /nfs/dbraw/zinc/76/30/39/748763039.db2.gz XHSNAHRGQALJAE-LUKYLMHMSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000979969145 748763042 /nfs/dbraw/zinc/76/30/42/748763042.db2.gz XHSNAHRGQALJAE-LUKYLMHMSA-N 1 1 347.459 0.664 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cnnn2C)C1 ZINC001029846709 748774596 /nfs/dbraw/zinc/77/45/96/748774596.db2.gz JQTCGLPDXSWWQO-IMJJTQAJSA-N 1 1 333.436 0.687 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027861123 748797488 /nfs/dbraw/zinc/79/74/88/748797488.db2.gz RQKFRFXCWGMRTK-HUUCEWRRSA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027861123 748797490 /nfs/dbraw/zinc/79/74/90/748797490.db2.gz RQKFRFXCWGMRTK-HUUCEWRRSA-N 1 1 328.372 0.747 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059621224 748855785 /nfs/dbraw/zinc/85/57/85/748855785.db2.gz RJHZHKOAOBWTQR-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059621224 748855790 /nfs/dbraw/zinc/85/57/90/748855790.db2.gz RJHZHKOAOBWTQR-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO N#CCN[C@H]1CCCCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001088350511 748871491 /nfs/dbraw/zinc/87/14/91/748871491.db2.gz ZFKLZYFAMZNZPV-BNQMIIOLSA-N 1 1 332.448 0.734 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3nnc(C)[nH]3)CC2)nn1 ZINC000985696645 748887360 /nfs/dbraw/zinc/88/73/60/748887360.db2.gz WRACUUJHWCKBGF-UHFFFAOYSA-N 1 1 344.423 0.627 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@@H+](C)Cc3nnc(C)[nH]3)CC2)nn1 ZINC000985696645 748887367 /nfs/dbraw/zinc/88/73/67/748887367.db2.gz WRACUUJHWCKBGF-UHFFFAOYSA-N 1 1 344.423 0.627 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1 ZINC001003792768 748901577 /nfs/dbraw/zinc/90/15/77/748901577.db2.gz FOUQIFPACCXRNB-INIZCTEOSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2cocn2)CC1 ZINC000980096889 748971345 /nfs/dbraw/zinc/97/13/45/748971345.db2.gz TWWXEJQOLFNHEM-XUJLQICISA-N 1 1 344.415 0.929 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2cocn2)CC1 ZINC000980096889 748971349 /nfs/dbraw/zinc/97/13/49/748971349.db2.gz TWWXEJQOLFNHEM-XUJLQICISA-N 1 1 344.415 0.929 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC000985740747 748983732 /nfs/dbraw/zinc/98/37/32/748983732.db2.gz DVXCDYFBRUOXHT-UHFFFAOYSA-N 1 1 342.827 0.604 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)cc1 ZINC000980148618 749069378 /nfs/dbraw/zinc/06/93/78/749069378.db2.gz AFWLOSPCJNJYSF-IXDOHACOSA-N 1 1 325.412 0.984 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@H]3C2)cc1 ZINC000980148601 749069734 /nfs/dbraw/zinc/06/97/34/749069734.db2.gz AFWLOSPCJNJYSF-BRWVUGGUSA-N 1 1 325.412 0.984 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C)c(C(N)=O)cn3)C[C@@H]2C1 ZINC000980152810 749076534 /nfs/dbraw/zinc/07/65/34/749076534.db2.gz GADCQXXNHOSHJP-ZNMIVQPWSA-N 1 1 340.427 0.952 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001059646055 749092802 /nfs/dbraw/zinc/09/28/02/749092802.db2.gz LXBUDNCCCGSRNA-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]2C1 ZINC000980180869 749116752 /nfs/dbraw/zinc/11/67/52/749116752.db2.gz BCKSDUUXQRJWJM-CFVMTHIKSA-N 1 1 339.399 0.898 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)nc1 ZINC001003998560 749125433 /nfs/dbraw/zinc/12/54/33/749125433.db2.gz WLRJVZQLBPBJQJ-ZDUSSCGKSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)nn1 ZINC000980183026 749130500 /nfs/dbraw/zinc/13/05/00/749130500.db2.gz DXDWRAVXRUKHOJ-HZSPNIEDSA-N 1 1 346.435 0.040 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001004005611 749133947 /nfs/dbraw/zinc/13/39/47/749133947.db2.gz VOLIQTHEUODCHO-GFCCVEGCSA-N 1 1 330.388 0.162 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@@H]3C2)cc1F ZINC000980186572 749138284 /nfs/dbraw/zinc/13/82/84/749138284.db2.gz OARUEVBCCAHYSZ-RRFJBIMHSA-N 1 1 344.390 0.899 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059654517 749150327 /nfs/dbraw/zinc/15/03/27/749150327.db2.gz IVWWYWYKQFKLOP-VNHYZAJKSA-N 1 1 347.394 0.872 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059654517 749150331 /nfs/dbraw/zinc/15/03/31/749150331.db2.gz IVWWYWYKQFKLOP-VNHYZAJKSA-N 1 1 347.394 0.872 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059654486 749150549 /nfs/dbraw/zinc/15/05/49/749150549.db2.gz HTPPRGHPKWESLB-HZSPNIEDSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001059654486 749150555 /nfs/dbraw/zinc/15/05/55/749150555.db2.gz HTPPRGHPKWESLB-HZSPNIEDSA-N 1 1 330.392 0.128 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C(C)(F)F)CC2)CC1 ZINC000985821678 749172695 /nfs/dbraw/zinc/17/26/95/749172695.db2.gz CAYFLYSFWZCZSM-UHFFFAOYSA-N 1 1 342.390 0.547 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 ZINC000980205563 749181666 /nfs/dbraw/zinc/18/16/66/749181666.db2.gz DXZUNHQXISTEID-ZNMIVQPWSA-N 1 1 348.447 0.673 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC000980235568 749218549 /nfs/dbraw/zinc/21/85/49/749218549.db2.gz BHYHWNCHGBXVIJ-MJBXVCDLSA-N 1 1 341.415 0.429 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 ZINC000980231621 749228200 /nfs/dbraw/zinc/22/82/00/749228200.db2.gz MWUVBHHUHUKIQI-JYJNAYRXSA-N 1 1 347.463 0.683 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)n3C)C[C@@H]2C1 ZINC000980240748 749245725 /nfs/dbraw/zinc/24/57/25/749245725.db2.gz AIJFCOMUOOADHO-RRFJBIMHSA-N 1 1 330.432 0.577 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc4ncccn4n3)C[C@@H]2C1 ZINC000980242959 749248297 /nfs/dbraw/zinc/24/82/97/749248297.db2.gz VCRJUZWSZVBPMW-RRFJBIMHSA-N 1 1 338.415 0.517 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@H]3C2)CC1 ZINC000980254143 749260744 /nfs/dbraw/zinc/26/07/44/749260744.db2.gz MRUSXDCFXRDYGD-BRWVUGGUSA-N 1 1 346.475 0.034 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000980348838 749406397 /nfs/dbraw/zinc/40/63/97/749406397.db2.gz CTFMVTZSBVISLT-LLVKDONJSA-N 1 1 328.800 0.166 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000980348838 749406403 /nfs/dbraw/zinc/40/64/03/749406403.db2.gz CTFMVTZSBVISLT-LLVKDONJSA-N 1 1 328.800 0.166 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc[n+]([O-])cc3)[C@H]2C)C1=O ZINC001088456462 749449356 /nfs/dbraw/zinc/44/93/56/749449356.db2.gz SILXCPCYJQJPOE-VNQPRFMTSA-N 1 1 344.415 0.300 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc[n+]([O-])cc3)[C@H]2C)C1=O ZINC001088456462 749449359 /nfs/dbraw/zinc/44/93/59/749449359.db2.gz SILXCPCYJQJPOE-VNQPRFMTSA-N 1 1 344.415 0.300 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@H+]2CCN2CCNC2=O)CC1 ZINC001004393546 749460842 /nfs/dbraw/zinc/46/08/42/749460842.db2.gz DOAJFMYOHBLWBJ-HOCLYGCPSA-N 1 1 347.463 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001004478733 749549740 /nfs/dbraw/zinc/54/97/40/749549740.db2.gz XSSWWJXHYUQLEK-CVEARBPZSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001004509038 749581535 /nfs/dbraw/zinc/58/15/35/749581535.db2.gz WQUMYSLDFHHDQM-CVEARBPZSA-N 1 1 332.448 0.736 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001078251573 782559045 /nfs/dbraw/zinc/55/90/45/782559045.db2.gz SQBKOSGRWQVARC-HUUCEWRRSA-N 1 1 330.388 0.236 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001078251573 782559053 /nfs/dbraw/zinc/55/90/53/782559053.db2.gz SQBKOSGRWQVARC-HUUCEWRRSA-N 1 1 330.388 0.236 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000986182188 749640597 /nfs/dbraw/zinc/64/05/97/749640597.db2.gz IDVNYHPDZFSHOL-YPMHNXCESA-N 1 1 327.392 0.891 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000986182180 749640898 /nfs/dbraw/zinc/64/08/98/749640898.db2.gz IDVNYHPDZFSHOL-DGCLKSJQSA-N 1 1 327.392 0.891 20 30 ECEDMO C[C@@H]1[C@@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000986186141 749644710 /nfs/dbraw/zinc/64/47/10/749644710.db2.gz PNCNNZYUQSSTOU-RISCZKNCSA-N 1 1 345.382 0.840 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001004577097 749650698 /nfs/dbraw/zinc/65/06/98/749650698.db2.gz PJGRICVPLYHPRT-INIZCTEOSA-N 1 1 345.443 0.766 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cnnn2)CC1 ZINC001004587172 749657714 /nfs/dbraw/zinc/65/77/14/749657714.db2.gz XPPRFKRSWOSJTM-INIZCTEOSA-N 1 1 330.436 0.790 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccnn1C ZINC001027943387 749658487 /nfs/dbraw/zinc/65/84/87/749658487.db2.gz MHDJPTADDMKPLD-RDJZCZTQSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccnn1C ZINC001027943387 749658490 /nfs/dbraw/zinc/65/84/90/749658490.db2.gz MHDJPTADDMKPLD-RDJZCZTQSA-N 1 1 329.448 0.598 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001004626832 749704125 /nfs/dbraw/zinc/70/41/25/749704125.db2.gz ZRVCQYMPLMAGPQ-OAHLLOKOSA-N 1 1 348.447 0.817 20 30 ECEDMO [NH2+]=C(NC[C@@H]1CN2CCN1CC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000262784362 749748488 /nfs/dbraw/zinc/74/84/88/749748488.db2.gz MEQGWIIZMQYXCN-QGZVFWFLSA-N 1 1 346.454 0.262 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000980579082 749807565 /nfs/dbraw/zinc/80/75/65/749807565.db2.gz JGGOXWBTXPMZPK-QCODTGAPSA-N 1 1 335.448 0.683 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001059722653 749981408 /nfs/dbraw/zinc/98/14/08/749981408.db2.gz WWGPDCRYSLMHED-HZSPNIEDSA-N 1 1 328.420 0.702 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001027968431 750045468 /nfs/dbraw/zinc/04/54/68/750045468.db2.gz QWYZUFQXKSOLHX-CQSZACIVSA-N 1 1 326.462 0.968 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001027968431 750045476 /nfs/dbraw/zinc/04/54/76/750045476.db2.gz QWYZUFQXKSOLHX-CQSZACIVSA-N 1 1 326.462 0.968 20 30 ECEDMO COc1ccc(CN2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1C#N ZINC001030181162 762003737 /nfs/dbraw/zinc/00/37/37/762003737.db2.gz APUXXNHFBPWSFI-KRWDZBQOSA-N 1 1 344.415 0.198 20 30 ECEDMO COc1ccc(CN2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1C#N ZINC001030181162 762003748 /nfs/dbraw/zinc/00/37/48/762003748.db2.gz APUXXNHFBPWSFI-KRWDZBQOSA-N 1 1 344.415 0.198 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058847034 750107351 /nfs/dbraw/zinc/10/73/51/750107351.db2.gz LJJDPFDANYINSK-HNNXBMFYSA-N 1 1 339.480 0.868 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027974313 750109984 /nfs/dbraw/zinc/10/99/84/750109984.db2.gz GLAHDLZPLYDNDX-LBPRGKRZSA-N 1 1 325.390 0.145 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027974313 750109989 /nfs/dbraw/zinc/10/99/89/750109989.db2.gz GLAHDLZPLYDNDX-LBPRGKRZSA-N 1 1 325.390 0.145 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001058848843 750163818 /nfs/dbraw/zinc/16/38/18/750163818.db2.gz LEPFFJDIGZJUKF-LSDHHAIUSA-N 1 1 325.453 0.478 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)c1 ZINC001027994762 750264811 /nfs/dbraw/zinc/26/48/11/750264811.db2.gz WKVRNPIIVJEFKN-INIZCTEOSA-N 1 1 331.416 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001005165016 750312490 /nfs/dbraw/zinc/31/24/90/750312490.db2.gz KRSNFZDIZUVRKN-NEXGVSGLSA-N 1 1 329.444 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001005165016 750312497 /nfs/dbraw/zinc/31/24/97/750312497.db2.gz KRSNFZDIZUVRKN-NEXGVSGLSA-N 1 1 329.444 0.988 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cncn2C)C1=O ZINC001028003553 750326052 /nfs/dbraw/zinc/32/60/52/750326052.db2.gz JNXAGIDCPCUGBU-KGLIPLIRSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cncn2C)C1=O ZINC001028003553 750326060 /nfs/dbraw/zinc/32/60/60/750326060.db2.gz JNXAGIDCPCUGBU-KGLIPLIRSA-N 1 1 331.420 0.401 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058857095 750350152 /nfs/dbraw/zinc/35/01/52/750350152.db2.gz KATJTXOYSRPSGO-JSGCOSHPSA-N 1 1 330.392 0.000 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058857095 750350157 /nfs/dbraw/zinc/35/01/57/750350157.db2.gz KATJTXOYSRPSGO-JSGCOSHPSA-N 1 1 330.392 0.000 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000980917255 750351743 /nfs/dbraw/zinc/35/17/43/750351743.db2.gz HTCKPLJOIKLFMN-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000980917255 750351747 /nfs/dbraw/zinc/35/17/47/750351747.db2.gz HTCKPLJOIKLFMN-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001028011980 750369024 /nfs/dbraw/zinc/36/90/24/750369024.db2.gz CZQDQJTURIHONY-AWEZNQCLSA-N 1 1 332.404 0.107 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[N@H+](CCN3CCCC3=O)CC2)[nH]1 ZINC000980980066 750424292 /nfs/dbraw/zinc/42/42/92/750424292.db2.gz UYRMZKPRMRFNMR-UHFFFAOYSA-N 1 1 329.404 0.657 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[N@@H+](CCN3CCCC3=O)CC2)[nH]1 ZINC000980980066 750424296 /nfs/dbraw/zinc/42/42/96/750424296.db2.gz UYRMZKPRMRFNMR-UHFFFAOYSA-N 1 1 329.404 0.657 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000980991477 750425391 /nfs/dbraw/zinc/42/53/91/750425391.db2.gz MVWZFYWMQOYBHJ-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000980991477 750425396 /nfs/dbraw/zinc/42/53/96/750425396.db2.gz MVWZFYWMQOYBHJ-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nccc(C)n3)[C@H]2C)C1=O ZINC001088545819 750502905 /nfs/dbraw/zinc/50/29/05/750502905.db2.gz BEDZLRBLCKGTME-QLFBSQMISA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nccc(C)n3)[C@H]2C)C1=O ZINC001088545819 750502911 /nfs/dbraw/zinc/50/29/11/750502911.db2.gz BEDZLRBLCKGTME-QLFBSQMISA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001028074542 750515412 /nfs/dbraw/zinc/51/54/12/750515412.db2.gz ISBAJXPQAJQYRS-OLZOCXBDSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001028074544 750515491 /nfs/dbraw/zinc/51/54/91/750515491.db2.gz ISBAJXPQAJQYRS-STQMWFEESA-N 1 1 347.419 0.107 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCCS3(=O)=O)C2)C1 ZINC001041338363 750570731 /nfs/dbraw/zinc/57/07/31/750570731.db2.gz GWGCVUZAHBFVRL-INIZCTEOSA-N 1 1 341.477 0.522 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001028086654 750614964 /nfs/dbraw/zinc/61/49/64/750614964.db2.gz XTMZGASDJJKYHE-LJIZCISZSA-N 1 1 333.432 0.246 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001005826047 750693634 /nfs/dbraw/zinc/69/36/34/750693634.db2.gz ZRPWVVBBTCXRGQ-DYVFJYSZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001005826192 750694035 /nfs/dbraw/zinc/69/40/35/750694035.db2.gz FEZOADCVLMHNBR-DYVFJYSZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001005826194 750694163 /nfs/dbraw/zinc/69/41/63/750694163.db2.gz FEZOADCVLMHNBR-GUYCJALGSA-N 1 1 340.427 0.734 20 30 ECEDMO CN(C(=O)c1nnn(C)n1)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001005847154 750721865 /nfs/dbraw/zinc/72/18/65/750721865.db2.gz GWLYQUXZGMCJDZ-UHFFFAOYSA-N 1 1 338.415 0.798 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC000981549330 750794086 /nfs/dbraw/zinc/79/40/86/750794086.db2.gz BUCZZNUEXOIZGL-UHFFFAOYSA-N 1 1 328.372 0.584 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001005929236 750812757 /nfs/dbraw/zinc/81/27/57/750812757.db2.gz UPNMIALPPVEHOU-NHYWBVRUSA-N 1 1 329.404 0.557 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000981683046 750967448 /nfs/dbraw/zinc/96/74/48/750967448.db2.gz RTNCFUUCWFJKMC-UHFFFAOYSA-N 1 1 325.376 0.229 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000981683046 750967449 /nfs/dbraw/zinc/96/74/49/750967449.db2.gz RTNCFUUCWFJKMC-UHFFFAOYSA-N 1 1 325.376 0.229 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CCC[N@H+]([C@H]2CCCNC2=O)C3)c1 ZINC000981694613 750981133 /nfs/dbraw/zinc/98/11/33/750981133.db2.gz IRNFIICNWMVVLC-HNNXBMFYSA-N 1 1 341.415 0.703 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)NC)CC2)cc1 ZINC001006098907 751014802 /nfs/dbraw/zinc/01/48/02/751014802.db2.gz TULBUFXBNQIDKY-UHFFFAOYSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2nc(C)c[nH]2)C1 ZINC001006153874 751075881 /nfs/dbraw/zinc/07/58/81/751075881.db2.gz BATRAAVNCWOKHH-ZFWWWQNUSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2nc(C)c[nH]2)C1 ZINC001006153874 751075887 /nfs/dbraw/zinc/07/58/87/751075887.db2.gz BATRAAVNCWOKHH-ZFWWWQNUSA-N 1 1 343.431 0.392 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC000981816047 751139798 /nfs/dbraw/zinc/13/97/98/751139798.db2.gz HWDXYBDJHRBJDE-UHFFFAOYSA-N 1 1 341.839 0.522 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC000981816047 751139801 /nfs/dbraw/zinc/13/98/01/751139801.db2.gz HWDXYBDJHRBJDE-UHFFFAOYSA-N 1 1 341.839 0.522 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCN(CC)C2=O)c1 ZINC001028128681 751153896 /nfs/dbraw/zinc/15/38/96/751153896.db2.gz JQCOREOFKVXLEG-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCN(CC)C2=O)c1 ZINC001028128681 751153900 /nfs/dbraw/zinc/15/39/00/751153900.db2.gz JQCOREOFKVXLEG-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCN(C)C2=O)c1 ZINC001028130239 751154358 /nfs/dbraw/zinc/15/43/58/751154358.db2.gz ZXOMFBXMQHSSHG-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCN(C)C2=O)c1 ZINC001028130239 751154362 /nfs/dbraw/zinc/15/43/62/751154362.db2.gz ZXOMFBXMQHSSHG-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001006256401 751166820 /nfs/dbraw/zinc/16/68/20/751166820.db2.gz VIDSSSLSWORXDV-UHFFFAOYSA-N 1 1 342.827 0.604 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3c[nH]c(=O)cn3)CC2)c1 ZINC000981838559 751171807 /nfs/dbraw/zinc/17/18/07/751171807.db2.gz WNVHEKZFIIAXLB-UHFFFAOYSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3c[nH]c(=O)cn3)CC2)c1 ZINC000981838559 751171810 /nfs/dbraw/zinc/17/18/10/751171810.db2.gz WNVHEKZFIIAXLB-UHFFFAOYSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028139911 751191208 /nfs/dbraw/zinc/19/12/08/751191208.db2.gz GCBXEPTVBNMRDL-XHSDSOJGSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028139911 751191211 /nfs/dbraw/zinc/19/12/11/751191211.db2.gz GCBXEPTVBNMRDL-XHSDSOJGSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1 ZINC001028139915 751191277 /nfs/dbraw/zinc/19/12/77/751191277.db2.gz GHTUQYGIAOFHQN-XHSDSOJGSA-N 1 1 326.400 0.760 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000981852887 751197457 /nfs/dbraw/zinc/19/74/57/751197457.db2.gz AANHFWGVVFWEQT-CYBMUJFWSA-N 1 1 331.420 0.657 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001087434896 751235102 /nfs/dbraw/zinc/23/51/02/751235102.db2.gz LDKCQSXDDRIFBE-HZPDHXFCSA-N 1 1 338.415 0.821 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001087434896 751235106 /nfs/dbraw/zinc/23/51/06/751235106.db2.gz LDKCQSXDDRIFBE-HZPDHXFCSA-N 1 1 338.415 0.821 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2csnn2)C1 ZINC001006315551 751236120 /nfs/dbraw/zinc/23/61/20/751236120.db2.gz PLRLKLKPBBRUSK-FZMZJTMJSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2csnn2)C1 ZINC001006315551 751236125 /nfs/dbraw/zinc/23/61/25/751236125.db2.gz PLRLKLKPBBRUSK-FZMZJTMJSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccns2)C1 ZINC001006323744 751245733 /nfs/dbraw/zinc/24/57/33/751245733.db2.gz ZRAJPUNZGAJLFU-OCCSQVGLSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccns2)C1 ZINC001006323744 751245737 /nfs/dbraw/zinc/24/57/37/751245737.db2.gz ZRAJPUNZGAJLFU-OCCSQVGLSA-N 1 1 346.456 0.817 20 30 ECEDMO C=CCN1CC[C@@H](N2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1=O ZINC000981953152 751326991 /nfs/dbraw/zinc/32/69/91/751326991.db2.gz HAVJQVLAJREWAN-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)C1 ZINC000991611426 762116378 /nfs/dbraw/zinc/11/63/78/762116378.db2.gz JMGPCCOGYKYUEI-CABCVRRESA-N 1 1 346.431 0.626 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccc(=O)[nH]c2)C1=O ZINC001028299886 752320245 /nfs/dbraw/zinc/32/02/45/752320245.db2.gz LZAZFZGGBVJDAQ-CABCVRRESA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccnc(C)n2)C1=O ZINC001028325748 752374900 /nfs/dbraw/zinc/37/49/00/752374900.db2.gz MHBKTHSKJINTKM-GDBMZVCRSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccnc(C)n2)C1=O ZINC001028325748 752374909 /nfs/dbraw/zinc/37/49/09/752374909.db2.gz MHBKTHSKJINTKM-GDBMZVCRSA-N 1 1 343.431 0.766 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001007461903 752409630 /nfs/dbraw/zinc/40/96/30/752409630.db2.gz UTYOCVQCKNLTRX-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001007461903 752409633 /nfs/dbraw/zinc/40/96/33/752409633.db2.gz UTYOCVQCKNLTRX-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001028334516 752415586 /nfs/dbraw/zinc/41/55/86/752415586.db2.gz BXKSJTFSQQHHHR-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO COCCN(CCNC(=O)C[N@@H+](C)C(C)C)c1cnc(C#N)cn1 ZINC001126361187 752442443 /nfs/dbraw/zinc/44/24/43/752442443.db2.gz VNCRCPSVOAXAHI-UHFFFAOYSA-N 1 1 334.424 0.257 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001105365349 752445535 /nfs/dbraw/zinc/44/55/35/752445535.db2.gz NERHYCGWDWKJAD-UHFFFAOYSA-N 1 1 332.452 0.506 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnc(C)cn2)C1 ZINC001007520019 752477289 /nfs/dbraw/zinc/47/72/89/752477289.db2.gz WHGHFKKJWZRBAC-WMZOPIPTSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnc(C)cn2)C1 ZINC001007520019 752477291 /nfs/dbraw/zinc/47/72/91/752477291.db2.gz WHGHFKKJWZRBAC-WMZOPIPTSA-N 1 1 341.459 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cccnc3)C2)C1=O ZINC001028376195 752497836 /nfs/dbraw/zinc/49/78/36/752497836.db2.gz ZJOKJRSBZFHBLR-GOEBONIOSA-N 1 1 328.416 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001058985058 752580774 /nfs/dbraw/zinc/58/07/74/752580774.db2.gz CXOZEYCONGPPSH-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001058985058 752580778 /nfs/dbraw/zinc/58/07/78/752580778.db2.gz CXOZEYCONGPPSH-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cccn3C)C2)C1=O ZINC001028413341 752586845 /nfs/dbraw/zinc/58/68/45/752586845.db2.gz AZAKUSQWKJNMDO-HOCLYGCPSA-N 1 1 330.432 0.864 20 30 ECEDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000982502145 752589301 /nfs/dbraw/zinc/58/93/01/752589301.db2.gz BHHKKRRTZONIMW-HDICACEKSA-N 1 1 326.400 0.714 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001075918728 752627151 /nfs/dbraw/zinc/62/71/51/752627151.db2.gz CTVUPHNEOHJUCF-DZGCQCFKSA-N 1 1 348.447 0.968 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001075919842 752665467 /nfs/dbraw/zinc/66/54/67/752665467.db2.gz DPFAXMQGUAWJJR-DZGCQCFKSA-N 1 1 348.447 0.968 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001007657533 752725813 /nfs/dbraw/zinc/72/58/13/752725813.db2.gz MUPJYQQNKMHGRE-BEFAXECRSA-N 1 1 349.475 0.980 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000938041702 752741867 /nfs/dbraw/zinc/74/18/67/752741867.db2.gz OCYNOBSZDVCQOP-OFQRWUPVSA-N 1 1 343.431 0.947 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)c[nH]1 ZINC001028488597 752824919 /nfs/dbraw/zinc/82/49/19/752824919.db2.gz AHECZGOJMQKTOH-AWEZNQCLSA-N 1 1 343.431 0.951 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)[nH]1 ZINC001028490249 752829000 /nfs/dbraw/zinc/82/90/00/752829000.db2.gz JNNPOASLMDRBBC-CQSZACIVSA-N 1 1 343.431 0.951 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001028491134 752833886 /nfs/dbraw/zinc/83/38/86/752833886.db2.gz SJJIIGGUTIDBQN-CJNGLKHVSA-N 1 1 348.472 0.888 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028491884 752836099 /nfs/dbraw/zinc/83/60/99/752836099.db2.gz PQWHZVTVJFVCQX-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c[nH]1 ZINC001028491762 752836150 /nfs/dbraw/zinc/83/61/50/752836150.db2.gz KHXWKBCRZALFLL-ZIAGYGMSSA-N 1 1 343.431 0.854 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001007712872 752848202 /nfs/dbraw/zinc/84/82/02/752848202.db2.gz PJAZGFPFUTZHSP-GUYCJALGSA-N 1 1 345.403 0.181 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cncnc3)C2)C1=O ZINC001028497446 752892354 /nfs/dbraw/zinc/89/23/54/752892354.db2.gz XQJVEZKYMVSFPX-DZGCQCFKSA-N 1 1 329.404 0.315 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001007751215 752896557 /nfs/dbraw/zinc/89/65/57/752896557.db2.gz YGPDSDLIWNILNE-ZDUSSCGKSA-N 1 1 328.376 0.537 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001007788531 752931206 /nfs/dbraw/zinc/93/12/06/752931206.db2.gz PZSHEFASFASDMY-LBPRGKRZSA-N 1 1 330.417 0.941 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001007788531 752931212 /nfs/dbraw/zinc/93/12/12/752931212.db2.gz PZSHEFASFASDMY-LBPRGKRZSA-N 1 1 330.417 0.941 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@@]2(C)C1 ZINC000982579554 752975234 /nfs/dbraw/zinc/97/52/34/752975234.db2.gz DPNJFEZUOSMFQX-JCGIZDLHSA-N 1 1 342.447 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](OC)C2CC2)C1 ZINC000988910814 753022555 /nfs/dbraw/zinc/02/25/55/753022555.db2.gz FQDWICBVHNMCBD-YESZJQIVSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](OC)C2CC2)C1 ZINC000988910814 753022560 /nfs/dbraw/zinc/02/25/60/753022560.db2.gz FQDWICBVHNMCBD-YESZJQIVSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000982612113 753039630 /nfs/dbraw/zinc/03/96/30/753039630.db2.gz NEPQADGMWQWTMH-UMVBOHGHSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC2(F)F)C1 ZINC000988926557 753047363 /nfs/dbraw/zinc/04/73/63/753047363.db2.gz NNUUEYYQTBYEPB-MJBXVCDLSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC2(F)F)C1 ZINC000988926557 753047369 /nfs/dbraw/zinc/04/73/69/753047369.db2.gz NNUUEYYQTBYEPB-MJBXVCDLSA-N 1 1 339.386 0.846 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cnn(CC)n3)C2)C1=O ZINC001028525106 753064501 /nfs/dbraw/zinc/06/45/01/753064501.db2.gz ZGWPKABFQBGAFO-HIFRSBDPSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cnnn3CC)C2)C1=O ZINC001028526060 753066202 /nfs/dbraw/zinc/06/62/02/753066202.db2.gz OSXYTHNUQDLBPS-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(C)nn3)C2)C1=O ZINC001028534722 753083309 /nfs/dbraw/zinc/08/33/09/753083309.db2.gz FEVOCRGXKZGTEN-ZBFHGGJFSA-N 1 1 343.431 0.624 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000988963843 753087211 /nfs/dbraw/zinc/08/72/11/753087211.db2.gz GOSZVSWTBBWUFA-ULQDDVLXSA-N 1 1 346.475 0.143 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC000988971128 753093640 /nfs/dbraw/zinc/09/36/40/753093640.db2.gz ZJNYKYYGBXWPMF-STQMWFEESA-N 1 1 329.408 0.590 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001059941339 753094231 /nfs/dbraw/zinc/09/42/31/753094231.db2.gz KNVADEXSXPWKQC-JKSUJKDBSA-N 1 1 346.431 0.585 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@]3(C)C[N@H+]([C@H](C)C(N)=O)C[C@]3(C)C2)nn1 ZINC000982631118 753107082 /nfs/dbraw/zinc/10/70/82/753107082.db2.gz SCFFMATZWWMAPK-JLZZUVOBSA-N 1 1 346.435 0.122 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028549780 753112351 /nfs/dbraw/zinc/11/23/51/753112351.db2.gz XYGZTTQQXCLTMJ-MCIONIFRSA-N 1 1 349.435 0.028 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028549780 753112356 /nfs/dbraw/zinc/11/23/56/753112356.db2.gz XYGZTTQQXCLTMJ-MCIONIFRSA-N 1 1 349.435 0.028 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001007954775 753125861 /nfs/dbraw/zinc/12/58/61/753125861.db2.gz TYWABCODBQDHBN-AWEZNQCLSA-N 1 1 329.466 0.569 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC001126382777 753150235 /nfs/dbraw/zinc/15/02/35/753150235.db2.gz BVCBXTLWPKWKRE-DYVFJYSZSA-N 1 1 344.419 0.756 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001007994273 753184617 /nfs/dbraw/zinc/18/46/17/753184617.db2.gz HURFJPPJDOACMA-GJZGRUSLSA-N 1 1 333.432 0.084 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001007994273 753184622 /nfs/dbraw/zinc/18/46/22/753184622.db2.gz HURFJPPJDOACMA-GJZGRUSLSA-N 1 1 333.432 0.084 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC001008018479 753202139 /nfs/dbraw/zinc/20/21/39/753202139.db2.gz XVIQULYWEXNOOD-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccns3)C2)C1=O ZINC001028575886 753250097 /nfs/dbraw/zinc/25/00/97/753250097.db2.gz UKLYUFWACBSVBI-CHWSQXEVSA-N 1 1 334.445 0.982 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001008064120 753261230 /nfs/dbraw/zinc/26/12/30/753261230.db2.gz SMIRSXWCFJDDHS-KBPBESRZSA-N 1 1 329.391 0.556 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001008064120 753261233 /nfs/dbraw/zinc/26/12/33/753261233.db2.gz SMIRSXWCFJDDHS-KBPBESRZSA-N 1 1 329.391 0.556 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(-c3ccco3)o2)C1 ZINC001051493942 762203487 /nfs/dbraw/zinc/20/34/87/762203487.db2.gz CHJWSTGHITWXGO-NWDGAFQWSA-N 1 1 345.359 0.806 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(-c3ccco3)no2)C1 ZINC001051494963 762206745 /nfs/dbraw/zinc/20/67/45/762206745.db2.gz PPUXUZIZJOCSFA-NWDGAFQWSA-N 1 1 345.359 0.806 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1=O ZINC001028581652 753382457 /nfs/dbraw/zinc/38/24/57/753382457.db2.gz LIPAULVSXMQRKL-WMLDXEAASA-N 1 1 340.427 0.975 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000938130136 753383604 /nfs/dbraw/zinc/38/36/04/753383604.db2.gz QRXIDPHXBTZEFQ-GJZGRUSLSA-N 1 1 330.432 0.957 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001008177049 753425031 /nfs/dbraw/zinc/42/50/31/753425031.db2.gz PKEBXKZLXUQUGP-SMDDNHRTSA-N 1 1 347.444 0.724 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001008177049 753425036 /nfs/dbraw/zinc/42/50/36/753425036.db2.gz PKEBXKZLXUQUGP-SMDDNHRTSA-N 1 1 347.444 0.724 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3C(N)=O)C[C@@]2(C)C1 ZINC000982726830 753425721 /nfs/dbraw/zinc/42/57/21/753425721.db2.gz XBIAXBPTNLWMLW-JCGIZDLHSA-N 1 1 332.448 0.723 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000982738043 753446777 /nfs/dbraw/zinc/44/67/77/753446777.db2.gz BUOYTXMLIRWERL-IAGOWNOFSA-N 1 1 347.459 0.474 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000982739330 753449490 /nfs/dbraw/zinc/44/94/90/753449490.db2.gz KWDSZBZWNGZWQU-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000982739330 753449494 /nfs/dbraw/zinc/44/94/94/753449494.db2.gz KWDSZBZWNGZWQU-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@]2(C)C1 ZINC000982772319 753518653 /nfs/dbraw/zinc/51/86/53/753518653.db2.gz HZEJRCAXXUAQGV-HDICACEKSA-N 1 1 347.463 0.637 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2nc(C#N)c(Cl)s2)C1 ZINC001105852990 762222602 /nfs/dbraw/zinc/22/26/02/762222602.db2.gz DNEPAMVWHDTLNS-IUCAKERBSA-N 1 1 343.840 0.509 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000982780381 753547790 /nfs/dbraw/zinc/54/77/90/753547790.db2.gz CXDGKOVJKJVXOL-OLZOCXBDSA-N 1 1 329.404 0.416 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000982780700 753549195 /nfs/dbraw/zinc/54/91/95/753549195.db2.gz GTMZWLORXFBCLR-STQMWFEESA-N 1 1 329.404 0.416 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000989342969 753655760 /nfs/dbraw/zinc/65/57/60/753655760.db2.gz AFDALAQTYURUIV-JJXSEGSLSA-N 1 1 335.448 0.779 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)s1 ZINC001008371502 753669443 /nfs/dbraw/zinc/66/94/43/753669443.db2.gz IQFHXWXUWNQODG-MFKMUULPSA-N 1 1 333.417 0.382 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)s1 ZINC001008371502 753669446 /nfs/dbraw/zinc/66/94/46/753669446.db2.gz IQFHXWXUWNQODG-MFKMUULPSA-N 1 1 333.417 0.382 20 30 ECEDMO Cc1[nH]nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c1C ZINC001083377422 753729697 /nfs/dbraw/zinc/72/96/97/753729697.db2.gz ROUHQFVMUZFAJL-CVEARBPZSA-N 1 1 339.399 0.873 20 30 ECEDMO Cc1[nH]nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c1C ZINC001083377422 753729702 /nfs/dbraw/zinc/72/97/02/753729702.db2.gz ROUHQFVMUZFAJL-CVEARBPZSA-N 1 1 339.399 0.873 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cnc4c(c3)NC(=O)CO4)CCC[C@H]12 ZINC000991623089 762240323 /nfs/dbraw/zinc/24/03/23/762240323.db2.gz JOPPMLUHGLNNHL-KBXCAEBGSA-N 1 1 340.383 0.773 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101230640 753778265 /nfs/dbraw/zinc/77/82/65/753778265.db2.gz CRZGXGJRUQWMCH-RKVPGOIHSA-N 1 1 333.432 0.037 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]2O)c1 ZINC001083390496 753779894 /nfs/dbraw/zinc/77/98/94/753779894.db2.gz TYYUOQPECPXDNM-SJORKVTESA-N 1 1 340.383 0.740 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]2O)c1 ZINC001083390496 753779899 /nfs/dbraw/zinc/77/98/99/753779899.db2.gz TYYUOQPECPXDNM-SJORKVTESA-N 1 1 340.383 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(C)=O)C[C@H]1C(F)(F)F ZINC001008515925 753845771 /nfs/dbraw/zinc/84/57/71/753845771.db2.gz YDSLVRWPHOVQLO-UPJWGTAASA-N 1 1 331.338 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(C)=O)C[C@H]1C(F)(F)F ZINC001008515925 753845776 /nfs/dbraw/zinc/84/57/76/753845776.db2.gz YDSLVRWPHOVQLO-UPJWGTAASA-N 1 1 331.338 0.609 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001028611639 753920027 /nfs/dbraw/zinc/92/00/27/753920027.db2.gz GGRKCFGFDCEVIA-OCCSQVGLSA-N 1 1 345.403 0.021 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001028628174 753981374 /nfs/dbraw/zinc/98/13/74/753981374.db2.gz OUXDHSSJVHRXKK-CYBMUJFWSA-N 1 1 326.462 0.825 20 30 ECEDMO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC001008653189 753994417 /nfs/dbraw/zinc/99/44/17/753994417.db2.gz XOCZQSIDNHVBSG-AWEZNQCLSA-N 1 1 340.387 0.819 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028658800 754373071 /nfs/dbraw/zinc/37/30/71/754373071.db2.gz HMCLDTNZQKDBLA-NSHDSACASA-N 1 1 325.390 0.002 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1 ZINC001008972013 754374623 /nfs/dbraw/zinc/37/46/23/754374623.db2.gz GRJHGIXFTIWLNE-VCOSZWKGSA-N 1 1 341.415 0.272 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cc(C(N)=O)cn3C)CCC[C@H]12 ZINC000991629945 762295434 /nfs/dbraw/zinc/29/54/34/762295434.db2.gz YFMMDHOSDWVNKN-MAUKXSAKSA-N 1 1 328.416 0.874 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccn(C)c4)[C@@H]3C2)C1=O ZINC001075686029 754404181 /nfs/dbraw/zinc/40/41/81/754404181.db2.gz AUEGSOAGFBZTIM-BHYGNILZSA-N 1 1 342.443 0.958 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001009012349 754425516 /nfs/dbraw/zinc/42/55/16/754425516.db2.gz DSXUKNTXPJOASB-CABCVRRESA-N 1 1 331.420 0.532 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001009012349 754425521 /nfs/dbraw/zinc/42/55/21/754425521.db2.gz DSXUKNTXPJOASB-CABCVRRESA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](NCc3cnnn3C)C[C@@H]2C)CC1 ZINC000989828468 754497506 /nfs/dbraw/zinc/49/75/06/754497506.db2.gz DHSIEEQEPXXURU-GOEBONIOSA-N 1 1 344.463 0.239 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN(CCOC)c1ccc(C#N)cn1 ZINC001126403409 754505722 /nfs/dbraw/zinc/50/57/22/754505722.db2.gz DDDOQKCUIWNXFI-UHFFFAOYSA-N 1 1 333.436 0.864 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001105873025 762318508 /nfs/dbraw/zinc/31/85/08/762318508.db2.gz IBVGNWLVQJUCCP-TZMCWYRMSA-N 1 1 332.408 0.112 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001009278310 754737287 /nfs/dbraw/zinc/73/72/87/754737287.db2.gz UPPPIBHUUNSWDJ-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001009278310 754737289 /nfs/dbraw/zinc/73/72/89/754737289.db2.gz UPPPIBHUUNSWDJ-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO Cc1nc([C@@H](C)NC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n[nH]1 ZINC001051555500 762330814 /nfs/dbraw/zinc/33/08/14/762330814.db2.gz NIMHGCQPZPIVGU-ZWNOBZJWSA-N 1 1 343.391 0.505 20 30 ECEDMO Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)[nH]1 ZINC001051555500 762330822 /nfs/dbraw/zinc/33/08/22/762330822.db2.gz NIMHGCQPZPIVGU-ZWNOBZJWSA-N 1 1 343.391 0.505 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001028713425 754803750 /nfs/dbraw/zinc/80/37/50/754803750.db2.gz LCUXXMYDDOVYBK-CYBMUJFWSA-N 1 1 325.376 0.132 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990252885 754879861 /nfs/dbraw/zinc/87/98/61/754879861.db2.gz RONBAKZQMCBDNX-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)cc1 ZINC001028731126 754888138 /nfs/dbraw/zinc/88/81/38/754888138.db2.gz ZYYOTYLJDCHAAK-RDJZCZTQSA-N 1 1 325.412 0.998 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990277446 754932839 /nfs/dbraw/zinc/93/28/39/754932839.db2.gz QBVGRPNZXQNPPB-NVXWUHKLSA-N 1 1 339.403 0.942 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990277446 754932840 /nfs/dbraw/zinc/93/28/40/754932840.db2.gz QBVGRPNZXQNPPB-NVXWUHKLSA-N 1 1 339.403 0.942 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001028740189 754938610 /nfs/dbraw/zinc/93/86/10/754938610.db2.gz OPTLZXMWTQPMDZ-IRXDYDNUSA-N 1 1 340.427 0.500 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001028739741 754940823 /nfs/dbraw/zinc/94/08/23/754940823.db2.gz IHDKBESBGUECKG-MNOVXSKESA-N 1 1 345.241 0.357 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001028739741 754940827 /nfs/dbraw/zinc/94/08/27/754940827.db2.gz IHDKBESBGUECKG-MNOVXSKESA-N 1 1 345.241 0.357 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001059108704 755025774 /nfs/dbraw/zinc/02/57/74/755025774.db2.gz APSINFXSMQTWTA-VNHYZAJKSA-N 1 1 344.419 0.389 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001059108704 755025780 /nfs/dbraw/zinc/02/57/80/755025780.db2.gz APSINFXSMQTWTA-VNHYZAJKSA-N 1 1 344.419 0.389 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001028766148 755033992 /nfs/dbraw/zinc/03/39/92/755033992.db2.gz NEIPAMGGYGVVHC-CYBMUJFWSA-N 1 1 337.383 0.893 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 ZINC001075948955 755054904 /nfs/dbraw/zinc/05/49/04/755054904.db2.gz QJXOPWZLYYFZDM-DGAVXFQQSA-N 1 1 346.349 0.889 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)cc1F ZINC001028773437 755060757 /nfs/dbraw/zinc/06/07/57/755060757.db2.gz MAUBRBKJFDRHEC-IUODEOHRSA-N 1 1 345.378 0.317 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028774039 755066466 /nfs/dbraw/zinc/06/64/66/755066466.db2.gz RGNNBNAMQNUIPH-IAQYHMDHSA-N 1 1 345.378 0.317 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028774039 755066469 /nfs/dbraw/zinc/06/64/69/755066469.db2.gz RGNNBNAMQNUIPH-IAQYHMDHSA-N 1 1 345.378 0.317 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnnc3C)[C@H]2C)C1=O ZINC001088709584 755077151 /nfs/dbraw/zinc/07/71/51/755077151.db2.gz JHCFSIXPPGPSOW-VNQPRFMTSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnnc3C)[C@H]2C)C1=O ZINC001088709584 755077155 /nfs/dbraw/zinc/07/71/55/755077155.db2.gz JHCFSIXPPGPSOW-VNQPRFMTSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3n[nH]cc3F)C2)C1=O ZINC001028783815 755117080 /nfs/dbraw/zinc/11/70/80/755117080.db2.gz HBNWUFRJFMAEGR-WCQYABFASA-N 1 1 335.383 0.387 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC001028793028 755142098 /nfs/dbraw/zinc/14/20/98/755142098.db2.gz PYWQYNKITPVLNO-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001028801749 755165592 /nfs/dbraw/zinc/16/55/92/755165592.db2.gz CNWFWWFBPCLHEG-AWEZNQCLSA-N 1 1 330.432 0.598 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001028817077 755215329 /nfs/dbraw/zinc/21/53/29/755215329.db2.gz RQCVLRAZDFFEAF-CHWSQXEVSA-N 1 1 338.843 0.816 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001028817077 755215334 /nfs/dbraw/zinc/21/53/34/755215334.db2.gz RQCVLRAZDFFEAF-CHWSQXEVSA-N 1 1 338.843 0.816 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CC[C@@H]3CCOC3)C2)nn1 ZINC001028852227 755309649 /nfs/dbraw/zinc/30/96/49/755309649.db2.gz GMNYECFXOLJBMX-CABCVRRESA-N 1 1 333.436 0.942 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001028852622 755311190 /nfs/dbraw/zinc/31/11/90/755311190.db2.gz LDRSDPLRIATITF-JTQLQIEISA-N 1 1 329.326 0.909 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001028857462 755322843 /nfs/dbraw/zinc/32/28/43/755322843.db2.gz IKQILEAQYOFEHU-UKRRQHHQSA-N 1 1 346.435 0.185 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3nnc[nH]3)C2)cc1 ZINC001028875329 755361802 /nfs/dbraw/zinc/36/18/02/755361802.db2.gz AXGFUBANDGUXFJ-AWEZNQCLSA-N 1 1 340.387 0.959 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3ncn[nH]3)C2)cc1 ZINC001028875329 755361805 /nfs/dbraw/zinc/36/18/05/755361805.db2.gz AXGFUBANDGUXFJ-AWEZNQCLSA-N 1 1 340.387 0.959 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3ncn[nH]3)C2)cc1 ZINC001028875329 755361809 /nfs/dbraw/zinc/36/18/09/755361809.db2.gz AXGFUBANDGUXFJ-AWEZNQCLSA-N 1 1 340.387 0.959 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3nc[nH]n3)C2)cc1 ZINC001028875329 755361812 /nfs/dbraw/zinc/36/18/12/755361812.db2.gz AXGFUBANDGUXFJ-AWEZNQCLSA-N 1 1 340.387 0.959 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3nc[nH]n3)C2)cc1 ZINC001028875329 755361816 /nfs/dbraw/zinc/36/18/16/755361816.db2.gz AXGFUBANDGUXFJ-AWEZNQCLSA-N 1 1 340.387 0.959 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC001126833780 755609758 /nfs/dbraw/zinc/60/97/58/755609758.db2.gz DDNGXSIWESXPSG-UHFFFAOYSA-N 1 1 326.400 0.799 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC001088769633 755622550 /nfs/dbraw/zinc/62/25/50/755622550.db2.gz VNSXAMNWQKBIBY-OCCSQVGLSA-N 1 1 325.376 0.273 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)[C@@H](O)C1 ZINC001083484230 755644113 /nfs/dbraw/zinc/64/41/13/755644113.db2.gz ZUWFEMOFBOOARH-XHSDSOJGSA-N 1 1 337.464 0.763 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001060063270 755688447 /nfs/dbraw/zinc/68/84/47/755688447.db2.gz JUURXIIXWCGOMR-CQSZACIVSA-N 1 1 339.403 0.626 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@@H]12 ZINC000990714337 755720246 /nfs/dbraw/zinc/72/02/46/755720246.db2.gz RXDREZRQFVTQGX-FZKQIMNGSA-N 1 1 331.416 0.518 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@H]12 ZINC000990714908 755726704 /nfs/dbraw/zinc/72/67/04/755726704.db2.gz UMQMGJXNXUMVKM-IFXJQAMLSA-N 1 1 345.443 0.908 20 30 ECEDMO C#CCN1CC[C@]2(NC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@H]12 ZINC000990737004 755801309 /nfs/dbraw/zinc/80/13/09/755801309.db2.gz FVEBHKHBXFENBX-FUHWJXTLSA-N 1 1 329.448 0.805 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)[C@@H](O)C1 ZINC001083514015 755825913 /nfs/dbraw/zinc/82/59/13/755825913.db2.gz JYDJSTHLDIGLJY-CVEARBPZSA-N 1 1 329.404 0.766 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)[C@@H](O)C1 ZINC001083514015 755825919 /nfs/dbraw/zinc/82/59/19/755825919.db2.gz JYDJSTHLDIGLJY-CVEARBPZSA-N 1 1 329.404 0.766 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(C)=O)CC1 ZINC001105676287 755851665 /nfs/dbraw/zinc/85/16/65/755851665.db2.gz VGRRCYZGMVZJOK-OLMNPRSZSA-N 1 1 346.475 0.284 20 30 ECEDMO C=CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CC(=O)NC)CC1 ZINC001105679013 755940176 /nfs/dbraw/zinc/94/01/76/755940176.db2.gz UIJVJVGQNQRLJZ-CALCHBBNSA-N 1 1 348.491 0.838 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)[C@@H](O)C1 ZINC001083533214 755966358 /nfs/dbraw/zinc/96/63/58/755966358.db2.gz FNKRHOQOXATKEF-SJORKVTESA-N 1 1 343.427 0.851 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001010341545 756024168 /nfs/dbraw/zinc/02/41/68/756024168.db2.gz HIAWGILXGOKHHJ-DZGCQCFKSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001010341545 756024173 /nfs/dbraw/zinc/02/41/73/756024173.db2.gz HIAWGILXGOKHHJ-DZGCQCFKSA-N 1 1 331.420 0.320 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCn3ccnn3)C2)nn1 ZINC001098661326 756037909 /nfs/dbraw/zinc/03/79/09/756037909.db2.gz JYDJAHSKILPRBA-OAHLLOKOSA-N 1 1 344.423 0.399 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001076126048 756115538 /nfs/dbraw/zinc/11/55/38/756115538.db2.gz KAIJACRUJLNYNO-GVDBMIGSSA-N 1 1 338.411 0.727 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001076126048 756115541 /nfs/dbraw/zinc/11/55/41/756115541.db2.gz KAIJACRUJLNYNO-GVDBMIGSSA-N 1 1 338.411 0.727 20 30 ECEDMO C=C(Br)CN1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010429837 756128889 /nfs/dbraw/zinc/12/88/89/756128889.db2.gz WQZFVLFHYVWNPB-NEPJUHHUSA-N 1 1 332.242 0.416 20 30 ECEDMO C=C(Br)CN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010429837 756128894 /nfs/dbraw/zinc/12/88/94/756128894.db2.gz WQZFVLFHYVWNPB-NEPJUHHUSA-N 1 1 332.242 0.416 20 30 ECEDMO C=C(Br)CN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010429841 756129354 /nfs/dbraw/zinc/12/93/54/756129354.db2.gz WQZFVLFHYVWNPB-VXGBXAGGSA-N 1 1 332.242 0.416 20 30 ECEDMO C=C(Br)CN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010429841 756129358 /nfs/dbraw/zinc/12/93/58/756129358.db2.gz WQZFVLFHYVWNPB-VXGBXAGGSA-N 1 1 332.242 0.416 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001076267639 756305227 /nfs/dbraw/zinc/30/52/27/756305227.db2.gz CHFYGDIOKYFQCA-QLFBSQMISA-N 1 1 330.436 0.734 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1=O ZINC001010667501 756372685 /nfs/dbraw/zinc/37/26/85/756372685.db2.gz HLKQZNMINAYMNJ-CQSZACIVSA-N 1 1 325.372 0.589 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)cc1 ZINC001076333622 756388175 /nfs/dbraw/zinc/38/81/75/756388175.db2.gz GSZXWDHQNMCJHE-DOTOQJQBSA-N 1 1 341.411 0.591 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)cc1 ZINC001076333622 756388177 /nfs/dbraw/zinc/38/81/77/756388177.db2.gz GSZXWDHQNMCJHE-DOTOQJQBSA-N 1 1 341.411 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001076349854 756408457 /nfs/dbraw/zinc/40/84/57/756408457.db2.gz JGMGFCUTPSTONO-XUXIUFHCSA-N 1 1 341.402 0.996 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001076349854 756408460 /nfs/dbraw/zinc/40/84/60/756408460.db2.gz JGMGFCUTPSTONO-XUXIUFHCSA-N 1 1 341.402 0.996 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nccc(C)n3)C2)nn1 ZINC001098663281 756518771 /nfs/dbraw/zinc/51/87/71/756518771.db2.gz BKTSAOPSKCYCTA-CQSZACIVSA-N 1 1 327.392 0.739 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001010831696 756579115 /nfs/dbraw/zinc/57/91/15/756579115.db2.gz VVXQPAMAPDMBCY-HNNXBMFYSA-N 1 1 348.447 0.319 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 ZINC001076531261 756616067 /nfs/dbraw/zinc/61/60/67/756616067.db2.gz AUXDQOZVYMQAHE-QWHCGFSZSA-N 1 1 334.420 0.426 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1c1nccnc1C#N ZINC001060124301 756624328 /nfs/dbraw/zinc/62/43/28/756624328.db2.gz XYPUSHWEWXZMOY-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 ZINC001076544778 756638080 /nfs/dbraw/zinc/63/80/80/756638080.db2.gz DMPWVFBEHVPQGV-NWDGAFQWSA-N 1 1 340.811 0.166 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 ZINC001076544778 756638082 /nfs/dbraw/zinc/63/80/82/756638082.db2.gz DMPWVFBEHVPQGV-NWDGAFQWSA-N 1 1 340.811 0.166 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)nn1 ZINC001076575621 756663792 /nfs/dbraw/zinc/66/37/92/756663792.db2.gz AEHBTEOEERNHLN-KBPBESRZSA-N 1 1 348.451 0.431 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001010954662 756699493 /nfs/dbraw/zinc/69/94/93/756699493.db2.gz DLMHASTZCHJHHV-NONVJHHQSA-N 1 1 332.448 0.937 20 30 ECEDMO COC1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083551631 756769218 /nfs/dbraw/zinc/76/92/18/756769218.db2.gz WABOROOHLOSGQL-BACDZXNISA-N 1 1 329.400 0.645 20 30 ECEDMO COC1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083551631 756769219 /nfs/dbraw/zinc/76/92/19/756769219.db2.gz WABOROOHLOSGQL-BACDZXNISA-N 1 1 329.400 0.645 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](OC)C2CC2)CC1 ZINC001011070721 756875211 /nfs/dbraw/zinc/87/52/11/756875211.db2.gz QTDDWNGNGBFDKK-JKSUJKDBSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](OC)C2CC2)CC1 ZINC001011070721 756875214 /nfs/dbraw/zinc/87/52/14/756875214.db2.gz QTDDWNGNGBFDKK-JKSUJKDBSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CN(C(=O)c3[nH]nnc3C)CC2(C)C)C1=O ZINC000996117992 756983648 /nfs/dbraw/zinc/98/36/48/756983648.db2.gz HPFPAHRFIIBZPU-OLZOCXBDSA-N 1 1 346.435 0.340 20 30 ECEDMO C=CCOCC(=O)NCc1cn(C2C[NH+](CC[C@@H]3CCCO3)C2)nn1 ZINC001107147083 757045453 /nfs/dbraw/zinc/04/54/53/757045453.db2.gz SWMMUSAWCAKPSK-INIZCTEOSA-N 1 1 349.435 0.523 20 30 ECEDMO C=CCOCC(=O)NCc1cn(C2C[NH+](CC[C@H](C)F)C2)nn1 ZINC001107147269 757045520 /nfs/dbraw/zinc/04/55/20/757045520.db2.gz XJJGFHBSCBNBAI-LBPRGKRZSA-N 1 1 325.388 0.702 20 30 ECEDMO CC(C)OCCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 ZINC001107149796 757053414 /nfs/dbraw/zinc/05/34/14/757053414.db2.gz QVOHRRMHFDNAAO-CYBMUJFWSA-N 1 1 334.424 0.726 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048811573 757072376 /nfs/dbraw/zinc/07/23/76/757072376.db2.gz ZPKNKBCATWMUAY-PMPSAXMXSA-N 1 1 335.448 0.018 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)CCO1 ZINC001048813145 757074898 /nfs/dbraw/zinc/07/48/98/757074898.db2.gz GDRJTGLHBQZSPV-BHYGNILZSA-N 1 1 345.443 0.037 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3cnn(CCOC)c3C)C[C@H]2C1 ZINC001048820214 757101694 /nfs/dbraw/zinc/10/16/94/757101694.db2.gz NMZUILQOWWYWSF-IYBDPMFKSA-N 1 1 330.432 0.865 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCC3)C2)cc1 ZINC001076791599 757130497 /nfs/dbraw/zinc/13/04/97/757130497.db2.gz BGQYINSLTAMRND-IAGOWNOFSA-N 1 1 327.384 0.914 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCC3)C2)cc1 ZINC001076791599 757130500 /nfs/dbraw/zinc/13/05/00/757130500.db2.gz BGQYINSLTAMRND-IAGOWNOFSA-N 1 1 327.384 0.914 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)(C)C)C2)CC[N@H+]1C ZINC001048832659 757136959 /nfs/dbraw/zinc/13/69/59/757136959.db2.gz RMILPPJKXAOBHY-WCVJEAGWSA-N 1 1 349.475 0.406 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCC3)C2)c1 ZINC001076790749 757159227 /nfs/dbraw/zinc/15/92/27/757159227.db2.gz OMJIRENXOKHVHP-IAGOWNOFSA-N 1 1 327.384 0.914 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCC3)C2)c1 ZINC001076790749 757159230 /nfs/dbraw/zinc/15/92/30/757159230.db2.gz OMJIRENXOKHVHP-IAGOWNOFSA-N 1 1 327.384 0.914 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@H]2C1 ZINC001048850029 757179392 /nfs/dbraw/zinc/17/93/92/757179392.db2.gz XWSCCANSVMSDLS-BETUJISGSA-N 1 1 347.868 0.165 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)cc1 ZINC001076793742 757190938 /nfs/dbraw/zinc/19/09/38/757190938.db2.gz KXICGOTUPBTPFL-GVDBMIGSSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)cc1 ZINC001076793742 757190946 /nfs/dbraw/zinc/19/09/46/757190946.db2.gz KXICGOTUPBTPFL-GVDBMIGSSA-N 1 1 329.400 0.646 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001011217270 757207506 /nfs/dbraw/zinc/20/75/06/757207506.db2.gz PIAKQOSFSBIISL-MAUKXSAKSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001011217270 757207510 /nfs/dbraw/zinc/20/75/10/757207510.db2.gz PIAKQOSFSBIISL-MAUKXSAKSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]2C1 ZINC001048863813 757219683 /nfs/dbraw/zinc/21/96/83/757219683.db2.gz MAIUHWRLACOVIW-ZNMIVQPWSA-N 1 1 330.432 0.942 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC001048869658 757237438 /nfs/dbraw/zinc/23/74/38/757237438.db2.gz COIDWHBLFQWMEO-OKYOBFRVSA-N 1 1 345.487 0.901 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O ZINC001076812269 757256082 /nfs/dbraw/zinc/25/60/82/757256082.db2.gz BQVFNXKPJFHPMO-IXDOHACOSA-N 1 1 328.416 0.314 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@]3(CC)CCNC3=O)nn2)C1 ZINC001107180511 757300675 /nfs/dbraw/zinc/30/06/75/757300675.db2.gz VTHQBMZKTPDFRN-QGZVFWFLSA-N 1 1 346.435 0.243 20 30 ECEDMO C#CCCN1CC(n2cc(CNC(=O)C(C)(C)[N@H+](C)CC)nn2)C1 ZINC001107182100 757316685 /nfs/dbraw/zinc/31/66/85/757316685.db2.gz OFTYGNLCKVDZRD-UHFFFAOYSA-N 1 1 332.452 0.505 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CCNC(=O)NC)C2)nn1 ZINC001098667077 757346680 /nfs/dbraw/zinc/34/66/80/757346680.db2.gz PYMMMWYNRAXPHX-AWEZNQCLSA-N 1 1 349.439 0.036 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC001048923122 757423318 /nfs/dbraw/zinc/42/33/18/757423318.db2.gz NWXRJEAVCHVBCU-OKILXGFUSA-N 1 1 332.404 0.305 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](OC)[C@@H]3CCOC3)nn2)C1 ZINC001107189766 757427410 /nfs/dbraw/zinc/42/74/10/757427410.db2.gz HKRAPMLKHBNCFN-CZUORRHYSA-N 1 1 349.435 0.379 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)nc1 ZINC001021440409 757447889 /nfs/dbraw/zinc/44/78/89/757447889.db2.gz JWFCZUKHHCXYNQ-GOOCMWNKSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)cn1 ZINC001021440599 757448111 /nfs/dbraw/zinc/44/81/11/757448111.db2.gz PCKRCQOLGBSZLM-MQVJKMGUSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)NC)nc1 ZINC001021442450 757450469 /nfs/dbraw/zinc/45/04/69/757450469.db2.gz ZPEBHNJDLWMYEV-OHRKKDJYSA-N 1 1 340.427 0.923 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)cc1 ZINC001076884218 757458326 /nfs/dbraw/zinc/45/83/26/757458326.db2.gz NEUXHHNQPXSMOB-BZUAXINKSA-N 1 1 343.383 0.173 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)cc1 ZINC001076884218 757458331 /nfs/dbraw/zinc/45/83/31/757458331.db2.gz NEUXHHNQPXSMOB-BZUAXINKSA-N 1 1 343.383 0.173 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)cc1 ZINC001076884217 757458422 /nfs/dbraw/zinc/45/84/22/757458422.db2.gz NEUXHHNQPXSMOB-ARFHVFGLSA-N 1 1 343.383 0.173 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)cc1 ZINC001076884217 757458426 /nfs/dbraw/zinc/45/84/26/757458426.db2.gz NEUXHHNQPXSMOB-ARFHVFGLSA-N 1 1 343.383 0.173 20 30 ECEDMO C#CCCCCCC(=O)NCc1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001107192411 757464190 /nfs/dbraw/zinc/46/41/90/757464190.db2.gz KMSDJWNBPNYZNK-CQSZACIVSA-N 1 1 333.436 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(CC)on2)CC1 ZINC001011314232 757486942 /nfs/dbraw/zinc/48/69/42/757486942.db2.gz LXAKQVFOYJVEAW-INIZCTEOSA-N 1 1 344.415 0.619 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(CC)on2)CC1 ZINC001011314232 757486945 /nfs/dbraw/zinc/48/69/45/757486945.db2.gz LXAKQVFOYJVEAW-INIZCTEOSA-N 1 1 344.415 0.619 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC001011314017 757487246 /nfs/dbraw/zinc/48/72/46/757487246.db2.gz ABDRUKXTVRNRBV-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC001011314017 757487253 /nfs/dbraw/zinc/48/72/53/757487253.db2.gz ABDRUKXTVRNRBV-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001011314786 757489998 /nfs/dbraw/zinc/48/99/98/757489998.db2.gz KVDLVNOANPBGIL-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001011314786 757490005 /nfs/dbraw/zinc/49/00/05/757490005.db2.gz KVDLVNOANPBGIL-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2ccnc2)CC1 ZINC001011314657 757490118 /nfs/dbraw/zinc/49/01/18/757490118.db2.gz BCOMCOAXRRJHMA-INIZCTEOSA-N 1 1 343.431 0.042 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2ccnc2)CC1 ZINC001011314657 757490127 /nfs/dbraw/zinc/49/01/27/757490127.db2.gz BCOMCOAXRRJHMA-INIZCTEOSA-N 1 1 343.431 0.042 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001011314855 757491337 /nfs/dbraw/zinc/49/13/37/757491337.db2.gz OFOBEEZQIIIXGT-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@H]2C1 ZINC001048957187 757511586 /nfs/dbraw/zinc/51/15/86/757511586.db2.gz GEOGFPZFNUDJHD-BETUJISGSA-N 1 1 325.376 0.247 20 30 ECEDMO CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)C1CCC1 ZINC001076906414 757559305 /nfs/dbraw/zinc/55/93/05/757559305.db2.gz ZENXYFYNIQOOES-OAGGEKHMSA-N 1 1 332.404 0.476 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021580059 757636586 /nfs/dbraw/zinc/63/65/86/757636586.db2.gz BMCCQBPMHJBNNZ-HZPDHXFCSA-N 1 1 338.473 0.757 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021580059 757636589 /nfs/dbraw/zinc/63/65/89/757636589.db2.gz BMCCQBPMHJBNNZ-HZPDHXFCSA-N 1 1 338.473 0.757 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC001011404229 757638018 /nfs/dbraw/zinc/63/80/18/757638018.db2.gz KDTVTKYRXOIBQC-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3C3CCCC3)C[C@H]2C1 ZINC001049003338 757663000 /nfs/dbraw/zinc/66/30/00/757663000.db2.gz IPOQSABDQPVVIW-JZXOWHBKSA-N 1 1 331.460 0.653 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001021596173 757664020 /nfs/dbraw/zinc/66/40/20/757664020.db2.gz HOXJHPSDLJZRJM-DZGCQCFKSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)CNC(C)=O)c1ccccc1O2 ZINC001111529584 757689350 /nfs/dbraw/zinc/68/93/50/757689350.db2.gz MKFJKNKKXJMDEA-VQIMIIECSA-N 1 1 341.411 0.840 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ccc(C#N)nc2)C1 ZINC001107211155 757698912 /nfs/dbraw/zinc/69/89/12/757698912.db2.gz SPWIDGSSQRVYRK-MJSXRHKHSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ccc(C#N)nc2)C1 ZINC001107211155 757698919 /nfs/dbraw/zinc/69/89/19/757698919.db2.gz SPWIDGSSQRVYRK-MJSXRHKHSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2cc(C)ncc2C#N)C1 ZINC001107211375 757700404 /nfs/dbraw/zinc/70/04/04/757700404.db2.gz VSHDEPFBKKCMRQ-VGOKWCNXSA-N 1 1 343.431 0.489 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2cc(C)ncc2C#N)C1 ZINC001107211375 757700411 /nfs/dbraw/zinc/70/04/11/757700411.db2.gz VSHDEPFBKKCMRQ-VGOKWCNXSA-N 1 1 343.431 0.489 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021624386 757703410 /nfs/dbraw/zinc/70/34/10/757703410.db2.gz VSTXNXZGRMOAPP-LSDHHAIUSA-N 1 1 344.415 0.285 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021626430 757706150 /nfs/dbraw/zinc/70/61/50/757706150.db2.gz GASNMFDUCIMCLW-UONOGXRCSA-N 1 1 332.404 0.448 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021636950 757718551 /nfs/dbraw/zinc/71/85/51/757718551.db2.gz VGDQDEMDBWKMNT-CABCVRRESA-N 1 1 333.436 0.471 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001021652377 757741824 /nfs/dbraw/zinc/74/18/24/757741824.db2.gz JMHHRTHSFMKXHE-SJORKVTESA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccoc2CC(N)=O)C1 ZINC001021657788 757746655 /nfs/dbraw/zinc/74/66/55/757746655.db2.gz IITGSNNENLFCEQ-UKRRQHHQSA-N 1 1 329.400 0.867 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001021688022 757782164 /nfs/dbraw/zinc/78/21/64/757782164.db2.gz KPTFTHPGNDKFEM-KBPBESRZSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)CC[C@@H]32)nn1 ZINC001021688708 757783817 /nfs/dbraw/zinc/78/38/17/757783817.db2.gz QDAREIIKAANZTI-ZFWWWQNUSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)CC[C@@H]32)nn1 ZINC001021688708 757783821 /nfs/dbraw/zinc/78/38/21/757783821.db2.gz QDAREIIKAANZTI-ZFWWWQNUSA-N 1 1 346.435 0.266 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021713270 757848517 /nfs/dbraw/zinc/84/85/17/757848517.db2.gz NODHWWOKKYCISU-HUUCEWRRSA-N 1 1 348.447 0.769 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001021730730 757873305 /nfs/dbraw/zinc/87/33/05/757873305.db2.gz PXRWJLMSZMGYAZ-GJZGRUSLSA-N 1 1 348.447 0.817 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@@H]2C1 ZINC001049069382 757873479 /nfs/dbraw/zinc/87/34/79/757873479.db2.gz GFYKLFVAWPRHBO-CLWVCHIJSA-N 1 1 331.420 0.296 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001021731681 757876045 /nfs/dbraw/zinc/87/60/45/757876045.db2.gz XHYGKIXNOMEWLX-KGLIPLIRSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021734777 757879471 /nfs/dbraw/zinc/87/94/71/757879471.db2.gz ZQATXEYBMKIIJR-TZMCWYRMSA-N 1 1 332.404 0.598 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021734775 757879800 /nfs/dbraw/zinc/87/98/00/757879800.db2.gz ZQATXEYBMKIIJR-JSGCOSHPSA-N 1 1 332.404 0.598 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021734352 757880168 /nfs/dbraw/zinc/88/01/68/757880168.db2.gz WPVVMYDNGRJUCO-UKRRQHHQSA-N 1 1 344.415 0.436 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)C1 ZINC000996538732 757961642 /nfs/dbraw/zinc/96/16/42/757961642.db2.gz NYNCVFVYTQMHQA-YOENINGUSA-N 1 1 341.415 0.700 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncccn4)C[C@@H]3C2)nn1 ZINC001049102960 757963968 /nfs/dbraw/zinc/96/39/68/757963968.db2.gz AMKIAEOOHIETLV-OKILXGFUSA-N 1 1 339.403 0.458 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ncccn4)C[C@@H]3C2)nn1 ZINC001049102960 757963973 /nfs/dbraw/zinc/96/39/73/757963973.db2.gz AMKIAEOOHIETLV-OKILXGFUSA-N 1 1 339.403 0.458 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@H]2C1 ZINC001049104139 757968243 /nfs/dbraw/zinc/96/82/43/757968243.db2.gz NKCNIVPUOVUCDZ-PHIMTYICSA-N 1 1 341.337 0.861 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn3cc(Cl)ccc23)C1 ZINC001077025607 757979162 /nfs/dbraw/zinc/97/91/62/757979162.db2.gz DLSBOPDYIRVLFV-TZMCWYRMSA-N 1 1 332.791 0.786 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)n[nH]2)C1=O ZINC001032300499 757993225 /nfs/dbraw/zinc/99/32/25/757993225.db2.gz ZRGBFNKDJBMNCG-YDHLFZDLSA-N 1 1 329.404 0.404 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)n[nH]2)C1=O ZINC001032300499 757993233 /nfs/dbraw/zinc/99/32/33/757993233.db2.gz ZRGBFNKDJBMNCG-YDHLFZDLSA-N 1 1 329.404 0.404 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC)CCC[C@@H]12 ZINC001107246717 758013002 /nfs/dbraw/zinc/01/30/02/758013002.db2.gz LRHYENSAOYYLMY-CXAGYDPISA-N 1 1 336.436 0.769 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001077047238 758035764 /nfs/dbraw/zinc/03/57/64/758035764.db2.gz AKVPXWZFBCXMSN-QLFBSQMISA-N 1 1 337.464 0.761 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ncccn4)C[C@H]3C2)C1=O ZINC001049126124 758047684 /nfs/dbraw/zinc/04/76/84/758047684.db2.gz RWQJALPUUVVTNI-ZNMIVQPWSA-N 1 1 341.415 0.267 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]2C1 ZINC001049128473 758058828 /nfs/dbraw/zinc/05/88/28/758058828.db2.gz AYWIPUAGGRRXQM-BETUJISGSA-N 1 1 332.404 0.705 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001021983782 758128654 /nfs/dbraw/zinc/12/86/54/758128654.db2.gz DUJHLNLBTRFSLB-TXEJJXNPSA-N 1 1 342.407 0.678 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001077098227 758160810 /nfs/dbraw/zinc/16/08/10/758160810.db2.gz VLRPUGOJBKPUHZ-KZNAEPCWSA-N 1 1 328.412 0.910 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001077110424 758197490 /nfs/dbraw/zinc/19/74/90/758197490.db2.gz QWICTIWLMYFGRG-KZNAEPCWSA-N 1 1 327.428 0.840 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001077110424 758197497 /nfs/dbraw/zinc/19/74/97/758197497.db2.gz QWICTIWLMYFGRG-KZNAEPCWSA-N 1 1 327.428 0.840 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCCOC)CCC[C@@H]12 ZINC001107300071 758201119 /nfs/dbraw/zinc/20/11/19/758201119.db2.gz NEVNZWFRXXZOOJ-CRAIPNDOSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)SC)CCC[C@@H]12 ZINC001107295069 758215021 /nfs/dbraw/zinc/21/50/21/758215021.db2.gz NELVAPPAANRJQW-CKEIUWERSA-N 1 1 337.489 0.848 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001022056617 758216153 /nfs/dbraw/zinc/21/61/53/758216153.db2.gz RISYLVAJJBDUGY-TYNCELHUSA-N 1 1 345.403 0.569 20 30 ECEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(=O)NCC=C)C2 ZINC001111648468 758224414 /nfs/dbraw/zinc/22/44/14/758224414.db2.gz AFQUXBVMBIYAMK-KSSFIOAISA-N 1 1 348.447 0.935 20 30 ECEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(=O)NCC=C)C2 ZINC001111648468 758224423 /nfs/dbraw/zinc/22/44/23/758224423.db2.gz AFQUXBVMBIYAMK-KSSFIOAISA-N 1 1 348.447 0.935 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCOC3)CCC[C@@H]12 ZINC001107307275 758229547 /nfs/dbraw/zinc/22/95/47/758229547.db2.gz QBBDLXHTJNRNHV-IIDMSEBBSA-N 1 1 333.432 0.133 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C(=O)NC)nc3)C[C@H]2C1 ZINC001049177637 758232003 /nfs/dbraw/zinc/23/20/03/758232003.db2.gz ZPFKUTGJOMGFCA-GASCZTMLSA-N 1 1 326.400 0.468 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C)OCC1CC1 ZINC001077123732 758249517 /nfs/dbraw/zinc/24/95/17/758249517.db2.gz ANXOWGGTEFNHFY-UXLLHSPISA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C)OCC1CC1 ZINC001077123732 758249525 /nfs/dbraw/zinc/24/95/25/758249525.db2.gz ANXOWGGTEFNHFY-UXLLHSPISA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001077124039 758251174 /nfs/dbraw/zinc/25/11/74/758251174.db2.gz KYOHRKCDOZLTNS-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001077124039 758251182 /nfs/dbraw/zinc/25/11/82/758251182.db2.gz KYOHRKCDOZLTNS-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cscn3)CCC[C@@H]12 ZINC001107321893 758265465 /nfs/dbraw/zinc/26/54/65/758265465.db2.gz VDBYHZQQPLGEHJ-RHSMWYFYSA-N 1 1 346.456 0.867 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001077124332 758284707 /nfs/dbraw/zinc/28/47/07/758284707.db2.gz SLOMKCJZSFNTGK-WFASDCNBSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001077124332 758284710 /nfs/dbraw/zinc/28/47/10/758284710.db2.gz SLOMKCJZSFNTGK-WFASDCNBSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C)SC ZINC001077124441 758284870 /nfs/dbraw/zinc/28/48/70/758284870.db2.gz WAVKSIHZYIZRHP-IHRRRGAJSA-N 1 1 325.478 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C)SC ZINC001077124441 758284876 /nfs/dbraw/zinc/28/48/76/758284876.db2.gz WAVKSIHZYIZRHP-IHRRRGAJSA-N 1 1 325.478 0.847 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@H]2C1 ZINC001049200840 758285632 /nfs/dbraw/zinc/28/56/32/758285632.db2.gz WOTGYDQAQWLLTC-GASCZTMLSA-N 1 1 338.415 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC1=CCOCC1 ZINC001077125223 758291020 /nfs/dbraw/zinc/29/10/20/758291020.db2.gz PHSCSMLVYSCASL-RDJZCZTQSA-N 1 1 347.459 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC1=CCOCC1 ZINC001077125223 758291029 /nfs/dbraw/zinc/29/10/29/758291029.db2.gz PHSCSMLVYSCASL-RDJZCZTQSA-N 1 1 347.459 0.832 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)c1ccc(C#N)[nH]1 ZINC001077146146 758320808 /nfs/dbraw/zinc/32/08/08/758320808.db2.gz GRHATOZXTLEOTQ-YWPYICTPSA-N 1 1 347.419 0.230 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)c1ccc(C#N)[nH]1 ZINC001077146146 758320821 /nfs/dbraw/zinc/32/08/21/758320821.db2.gz GRHATOZXTLEOTQ-YWPYICTPSA-N 1 1 347.419 0.230 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC001077147096 758340673 /nfs/dbraw/zinc/34/06/73/758340673.db2.gz BLEGRVKOECIAKU-HUUCEWRRSA-N 1 1 327.388 0.766 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001077152734 758359311 /nfs/dbraw/zinc/35/93/11/758359311.db2.gz IAOUINSETCLLJD-NVXWUHKLSA-N 1 1 334.464 0.825 20 30 ECEDMO N#Cc1nccc(NC/C=C/CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)n1 ZINC001107348795 758364324 /nfs/dbraw/zinc/36/43/24/758364324.db2.gz MBDWQQKNFMEJCD-ZHAXYTGKSA-N 1 1 340.431 0.729 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3=CCOCC3)CCC[C@@H]12 ZINC001107372409 758396506 /nfs/dbraw/zinc/39/65/06/758396506.db2.gz FWXVFGVKTAAALZ-VQIMIIECSA-N 1 1 345.443 0.443 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCOCC)CC2 ZINC001107374477 758400065 /nfs/dbraw/zinc/40/00/65/758400065.db2.gz UHVLYHNQTGSPFJ-VQIMIIECSA-N 1 1 349.475 0.913 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3COC(=O)N3)CCC[C@@H]12 ZINC001107387556 758438585 /nfs/dbraw/zinc/43/85/85/758438585.db2.gz VZCYMAZCCKHPKR-CKEIUWERSA-N 1 1 335.404 0.105 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NCC=CCNc2ccncc2C#N)no1 ZINC001107402444 758472080 /nfs/dbraw/zinc/47/20/80/758472080.db2.gz JFLHDZADOXMRKQ-ONEGZZNKSA-N 1 1 340.387 0.823 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCCN3C)C2)C1=O ZINC001022293265 758530111 /nfs/dbraw/zinc/53/01/11/758530111.db2.gz SRCOCCSXCJVHSH-XUWVNRHRSA-N 1 1 334.464 0.494 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)Cn3nccn3)CCC[C@@H]12 ZINC001107423138 758552608 /nfs/dbraw/zinc/55/26/08/758552608.db2.gz YKNUVVFGQXLWEE-NVXWUHKLSA-N 1 1 333.436 0.842 20 30 ECEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC001107439746 758569491 /nfs/dbraw/zinc/56/94/91/758569491.db2.gz QGKLTZIYTXBJLY-PMUMKWKESA-N 1 1 348.447 0.912 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(N)=O ZINC001049383107 758604449 /nfs/dbraw/zinc/60/44/49/758604449.db2.gz PVMIIHLMVOBSIQ-WDEREUQCSA-N 1 1 330.226 0.836 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(N)=O ZINC001049383107 758604446 /nfs/dbraw/zinc/60/44/46/758604446.db2.gz PVMIIHLMVOBSIQ-WDEREUQCSA-N 1 1 330.226 0.836 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cn(C)nc2C)C1=O ZINC001032320033 758615399 /nfs/dbraw/zinc/61/53/99/758615399.db2.gz TUTGOWVRIUZOOM-DZKIICNBSA-N 1 1 343.431 0.414 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cn(C)nc2C)C1=O ZINC001032320033 758615406 /nfs/dbraw/zinc/61/54/06/758615406.db2.gz TUTGOWVRIUZOOM-DZKIICNBSA-N 1 1 343.431 0.414 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2nccnc2C#N)C1 ZINC001107465982 758624628 /nfs/dbraw/zinc/62/46/28/758624628.db2.gz SBVWEPWCDFOYPQ-BWPKMQGJSA-N 1 1 344.419 0.542 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nc1 ZINC001011804645 758627156 /nfs/dbraw/zinc/62/71/56/758627156.db2.gz JQJALRIIQOVEQJ-GOEBONIOSA-N 1 1 340.427 0.545 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001077257863 758634339 /nfs/dbraw/zinc/63/43/39/758634339.db2.gz FQRMYJUIRZQCHN-HZPDHXFCSA-N 1 1 327.388 0.823 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001077260833 758638585 /nfs/dbraw/zinc/63/85/85/758638585.db2.gz XUAQTWIYRBUNIX-KBRIMQKVSA-N 1 1 332.448 0.951 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001077260833 758638589 /nfs/dbraw/zinc/63/85/89/758638589.db2.gz XUAQTWIYRBUNIX-KBRIMQKVSA-N 1 1 332.448 0.951 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001077260833 758638596 /nfs/dbraw/zinc/63/85/96/758638596.db2.gz XUAQTWIYRBUNIX-KBRIMQKVSA-N 1 1 332.448 0.951 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001049483306 758793434 /nfs/dbraw/zinc/79/34/34/758793434.db2.gz VAGSLCCVDYESMA-QWHCGFSZSA-N 1 1 332.408 0.018 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049507179 758822439 /nfs/dbraw/zinc/82/24/39/758822439.db2.gz DEHCCALPHIGBRT-GJZGRUSLSA-N 1 1 341.477 0.663 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001083573542 758838099 /nfs/dbraw/zinc/83/80/99/758838099.db2.gz MPMYVGBPUKPNCM-QYZOEREBSA-N 1 1 341.455 0.684 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 ZINC001049558462 758919998 /nfs/dbraw/zinc/91/99/98/758919998.db2.gz PYYWERJSYSSIQS-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCN1C(=O)CCC1=O ZINC001049579172 758957117 /nfs/dbraw/zinc/95/71/17/758957117.db2.gz DORKKABAAIRIKZ-LSDHHAIUSA-N 1 1 331.416 0.614 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001077385830 758971000 /nfs/dbraw/zinc/97/10/00/758971000.db2.gz KXJVPWKJDPUOIA-NUJGCVRESA-N 1 1 328.412 0.873 20 30 ECEDMO CC#CCCCC(=O)N[C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001077395322 758986840 /nfs/dbraw/zinc/98/68/40/758986840.db2.gz DPHVCHGNWCIJMD-INIZCTEOSA-N 1 1 337.464 0.913 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049622647 759006261 /nfs/dbraw/zinc/00/62/61/759006261.db2.gz WXYIVKZGLQDIIM-BSDSXHPESA-N 1 1 347.459 0.711 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccnc(N3CCCC3)n2)[C@@H](O)C1 ZINC001083580645 759061405 /nfs/dbraw/zinc/06/14/05/759061405.db2.gz PCWNIVKAHYWPNL-CABCVRRESA-N 1 1 331.420 0.428 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001022736831 759066842 /nfs/dbraw/zinc/06/68/42/759066842.db2.gz DXUAVZMNIJZMAG-WVWOOGAGSA-N 1 1 332.408 0.336 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C)s3)C2)nn1 ZINC001022824826 759147253 /nfs/dbraw/zinc/14/72/53/759147253.db2.gz NNQCGUDWZJIVED-PHIMTYICSA-N 1 1 333.421 0.675 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001022834237 759155023 /nfs/dbraw/zinc/15/50/23/759155023.db2.gz IVCQJXOCAFZFAT-RMEBNNNOSA-N 1 1 348.451 0.879 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001049760586 759174461 /nfs/dbraw/zinc/17/44/61/759174461.db2.gz AZXMWQNYVZWEIW-STQMWFEESA-N 1 1 348.403 0.048 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCS(=O)(=O)CC1 ZINC001049767852 759181867 /nfs/dbraw/zinc/18/18/67/759181867.db2.gz HMUQCOSXZCEJRY-HZPDHXFCSA-N 1 1 338.473 0.900 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)N(C)C)nn1 ZINC001049771606 759185675 /nfs/dbraw/zinc/18/56/75/759185675.db2.gz BFMKHIOUTIEFAR-HUUCEWRRSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)N(C)C)nn1 ZINC001049771606 759185678 /nfs/dbraw/zinc/18/56/78/759185678.db2.gz BFMKHIOUTIEFAR-HUUCEWRRSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049788542 759209501 /nfs/dbraw/zinc/20/95/01/759209501.db2.gz NXRPNCMQDAMIJB-LSDHHAIUSA-N 1 1 344.415 0.015 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001105913952 762694719 /nfs/dbraw/zinc/69/47/19/762694719.db2.gz MNCIMYVTEAXMDQ-GXTWGEPZSA-N 1 1 346.435 0.141 20 30 ECEDMO C=CCOCC(=O)N1CCC(OC2C[NH+](C[C@@H](C)OC)C2)CC1 ZINC001105697325 759248655 /nfs/dbraw/zinc/24/86/55/759248655.db2.gz UDMTZMMXNAKFOQ-CQSZACIVSA-N 1 1 326.437 0.916 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049832164 759268107 /nfs/dbraw/zinc/26/81/07/759268107.db2.gz TVVTXZSAFDRROK-KGLIPLIRSA-N 1 1 334.420 0.570 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001049837104 759273496 /nfs/dbraw/zinc/27/34/96/759273496.db2.gz ZLASZCHBZXGJKE-HUUCEWRRSA-N 1 1 345.447 0.632 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2c(OC)cccc2OC)[C@@H](O)C1 ZINC001083609937 759284593 /nfs/dbraw/zinc/28/45/93/759284593.db2.gz WEGKDHVOQPXRMG-CABCVRRESA-N 1 1 334.416 0.984 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O ZINC001049842481 759286137 /nfs/dbraw/zinc/28/61/37/759286137.db2.gz WXXIPLORUMXPQB-KBPBESRZSA-N 1 1 334.420 0.522 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(NC(C)=O)cc2)[C@@H](O)C1 ZINC001083612570 759296314 /nfs/dbraw/zinc/29/63/14/759296314.db2.gz AMHDYYXPIGLWNM-SJORKVTESA-N 1 1 329.400 0.372 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(NC(C)=O)cc2)[C@@H](O)C1 ZINC001083612570 759296317 /nfs/dbraw/zinc/29/63/17/759296317.db2.gz AMHDYYXPIGLWNM-SJORKVTESA-N 1 1 329.400 0.372 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)N(C)C)nc1 ZINC001049855192 759306046 /nfs/dbraw/zinc/30/60/46/759306046.db2.gz PPOPNTFVXLPRBC-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)N(C)C)nc1 ZINC001049855192 759306052 /nfs/dbraw/zinc/30/60/52/759306052.db2.gz PPOPNTFVXLPRBC-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001049869178 759321539 /nfs/dbraw/zinc/32/15/39/759321539.db2.gz DKQPZXUDZLSTBC-BRWVUGGUSA-N 1 1 333.432 0.322 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001049871627 759325856 /nfs/dbraw/zinc/32/58/56/759325856.db2.gz RJWSTCQDLGIURK-ZACQAIPSSA-N 1 1 335.448 0.875 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049873388 759327567 /nfs/dbraw/zinc/32/75/67/759327567.db2.gz WWKVHYMIPRYESL-ZIAGYGMSSA-N 1 1 346.431 0.405 20 30 ECEDMO C=CCOc1ccc(CC(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)cc1 ZINC001047640605 759384260 /nfs/dbraw/zinc/38/42/60/759384260.db2.gz WRKFDQIHKYAZTH-IRXDYDNUSA-N 1 1 334.416 0.290 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1COCCN1C(C)=O ZINC001049905309 759387805 /nfs/dbraw/zinc/38/78/05/759387805.db2.gz WQANQJYZSGBXHL-GVDBMIGSSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nc(C)ccc1=O ZINC001089890092 759389400 /nfs/dbraw/zinc/38/94/00/759389400.db2.gz QOFDVAPNOOKRRI-HZMVEIRTSA-N 1 1 342.443 0.907 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001049912705 759396390 /nfs/dbraw/zinc/39/63/90/759396390.db2.gz NOYJVIGENJMVEV-BZUAXINKSA-N 1 1 327.432 0.847 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCOCC1 ZINC001049913456 759397278 /nfs/dbraw/zinc/39/72/78/759397278.db2.gz YFIGGMIBTGLWHI-KSZLIROESA-N 1 1 331.460 0.796 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001054242142 767857068 /nfs/dbraw/zinc/85/70/68/767857068.db2.gz GFHUNCWSWVGBAN-PKOBYXMFSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C(N)=O)cn1 ZINC001049924226 759410083 /nfs/dbraw/zinc/41/00/83/759410083.db2.gz CHJBWCWWNRRNKW-HOTGVXAUSA-N 1 1 326.400 0.883 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(CC(N)=O)nn1)C2 ZINC001054244594 767861398 /nfs/dbraw/zinc/86/13/98/767861398.db2.gz HQEHKDICAWAPFX-KRWDZBQOSA-N 1 1 346.435 0.268 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001054250617 767871397 /nfs/dbraw/zinc/87/13/97/767871397.db2.gz XYDAJNGFDJZWJV-KSSFIOAISA-N 1 1 331.416 0.377 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1 ZINC001050059538 759631677 /nfs/dbraw/zinc/63/16/77/759631677.db2.gz FUYMXXYAPAGXSL-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100335 759702454 /nfs/dbraw/zinc/70/24/54/759702454.db2.gz ZOTDXIIWZGLMQC-FNYPPERVSA-N 1 1 329.444 0.406 20 30 ECEDMO C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100335 759702461 /nfs/dbraw/zinc/70/24/61/759702461.db2.gz ZOTDXIIWZGLMQC-FNYPPERVSA-N 1 1 329.444 0.406 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1ncccc1C#N ZINC001050105374 759713779 /nfs/dbraw/zinc/71/37/79/759713779.db2.gz BLZYUZXYWVGILK-VHDGCEQUSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1ncccc1C#N ZINC001050105374 759713781 /nfs/dbraw/zinc/71/37/81/759713781.db2.gz BLZYUZXYWVGILK-VHDGCEQUSA-N 1 1 329.404 0.367 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)cc1C#N ZINC001050130470 759770030 /nfs/dbraw/zinc/77/00/30/759770030.db2.gz ALOQKVHWUIDPOM-DZGCQCFKSA-N 1 1 342.399 0.475 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)cc1C#N ZINC001050130470 759770038 /nfs/dbraw/zinc/77/00/38/759770038.db2.gz ALOQKVHWUIDPOM-DZGCQCFKSA-N 1 1 342.399 0.475 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C(C)(C)C1 ZINC000995558532 759793893 /nfs/dbraw/zinc/79/38/93/759793893.db2.gz IVUHQFAAZIAVSO-NEPJUHHUSA-N 1 1 333.440 0.914 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1 ZINC001050161648 759829192 /nfs/dbraw/zinc/82/91/92/759829192.db2.gz FQZLXCRLGQFNEQ-DZGCQCFKSA-N 1 1 339.399 0.501 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 ZINC001050162990 759832897 /nfs/dbraw/zinc/83/28/97/759832897.db2.gz BUHHHOCTLYYRBB-DWBBHFSCSA-N 1 1 346.431 0.474 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@H]2C[N@H+](CC(C)C)CCO2)C1=O ZINC000348500862 759848369 /nfs/dbraw/zinc/84/83/69/759848369.db2.gz ORBLEBJLAQDXBL-KGLIPLIRSA-N 1 1 325.409 0.466 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](CC(C)C)CCO2)C1=O ZINC000348500862 759848376 /nfs/dbraw/zinc/84/83/76/759848376.db2.gz ORBLEBJLAQDXBL-KGLIPLIRSA-N 1 1 325.409 0.466 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]Cc3nnn(C)n3)C2)nc1 ZINC001048034593 759863088 /nfs/dbraw/zinc/86/30/88/759863088.db2.gz ONHXCLJRJIRBEE-TZMCWYRMSA-N 1 1 339.403 0.227 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993011850 767896520 /nfs/dbraw/zinc/89/65/20/767896520.db2.gz IOWNVIIIXZJNOA-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001050181035 759884619 /nfs/dbraw/zinc/88/46/19/759884619.db2.gz LIKLBSYFTZDUFN-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054291957 767899554 /nfs/dbraw/zinc/89/95/54/767899554.db2.gz MGBMOEFGYBKZLJ-INIZCTEOSA-N 1 1 349.456 0.886 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)NCc3cnon3)C2)CC1 ZINC001048070032 759912785 /nfs/dbraw/zinc/91/27/85/759912785.db2.gz YOSUCBDRJZNJAY-GOEBONIOSA-N 1 1 345.447 0.741 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1 ZINC001050201072 759926338 /nfs/dbraw/zinc/92/63/38/759926338.db2.gz XLUCFMOKAZGVPZ-DZGCQCFKSA-N 1 1 346.431 0.989 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)CN3CCOCC3)[C@@H]2C1 ZINC001050202657 759930778 /nfs/dbraw/zinc/93/07/78/759930778.db2.gz SGRCOEXLABLEDS-FGTMMUONSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cncc(C(N)=O)c3)[C@@H]2C1 ZINC001050205029 759938512 /nfs/dbraw/zinc/93/85/12/759938512.db2.gz WSONBYBUAWHUNX-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001050208447 759942795 /nfs/dbraw/zinc/94/27/95/759942795.db2.gz LBRGHCBCJFVFCI-DZGCQCFKSA-N 1 1 346.435 0.266 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993014953 767904858 /nfs/dbraw/zinc/90/48/58/767904858.db2.gz OEYQXBWSAIRADQ-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1ncnn1-c1ccccc1 ZINC001127032125 760047142 /nfs/dbraw/zinc/04/71/42/760047142.db2.gz UGBOJGPYEKJQRV-UHFFFAOYSA-N 1 1 327.388 0.513 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001050314284 760108431 /nfs/dbraw/zinc/10/84/31/760108431.db2.gz VBQFPQLQDWLABS-GJZGRUSLSA-N 1 1 334.420 0.747 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001012502851 760113943 /nfs/dbraw/zinc/11/39/43/760113943.db2.gz TWHARFGTOARAIC-ABAIWWIYSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnc(C)cn2)C1=O ZINC001032261306 760403533 /nfs/dbraw/zinc/40/35/33/760403533.db2.gz ITOLVOODZRQRCT-DZKIICNBSA-N 1 1 341.415 0.471 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnc(C)cn2)C1=O ZINC001032261306 760403539 /nfs/dbraw/zinc/40/35/39/760403539.db2.gz ITOLVOODZRQRCT-DZKIICNBSA-N 1 1 341.415 0.471 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCCS3(=O)=O)C2)CC1 ZINC001050541782 760459980 /nfs/dbraw/zinc/45/99/80/760459980.db2.gz QDYDYYPVRBUJSB-HNNXBMFYSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C2)CC1 ZINC001050583893 760533081 /nfs/dbraw/zinc/53/30/81/760533081.db2.gz UFRNYPPCGHVASS-UHFFFAOYSA-N 1 1 344.459 0.933 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001050649460 760626974 /nfs/dbraw/zinc/62/69/74/760626974.db2.gz PCUPKWRWRORQEY-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001030024720 760630346 /nfs/dbraw/zinc/63/03/46/760630346.db2.gz NEDHAZOJLKEEGF-OAGGEKHMSA-N 1 1 334.464 0.141 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001030024720 760630348 /nfs/dbraw/zinc/63/03/48/760630348.db2.gz NEDHAZOJLKEEGF-OAGGEKHMSA-N 1 1 334.464 0.141 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@@H](O)C1 ZINC001083723327 767971139 /nfs/dbraw/zinc/97/11/39/767971139.db2.gz FPDJURHLARIXED-OWCLPIDISA-N 1 1 325.453 0.223 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cocn1)C2 ZINC000995903628 760750807 /nfs/dbraw/zinc/75/08/07/760750807.db2.gz KKVJSJUVZOHHLX-VRKREXBASA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cocn1)C2 ZINC000995903628 760750813 /nfs/dbraw/zinc/75/08/13/760750813.db2.gz KKVJSJUVZOHHLX-VRKREXBASA-N 1 1 342.399 0.634 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001050734767 760753306 /nfs/dbraw/zinc/75/33/06/760753306.db2.gz CLPJQHNMZXIKJJ-GDBMZVCRSA-N 1 1 346.431 0.585 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1c1ccc(C#N)nn1 ZINC001048586832 760759189 /nfs/dbraw/zinc/75/91/89/760759189.db2.gz CUHLLQZQDSQSOD-ZNMIVQPWSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001048588624 760762789 /nfs/dbraw/zinc/76/27/89/760762789.db2.gz IXEQBTQBCKBEBX-XGUBFFRZSA-N 1 1 339.461 0.061 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)cc1 ZINC001048671885 760906632 /nfs/dbraw/zinc/90/66/32/760906632.db2.gz MLVKSDMPDCSKFL-IYBDPMFKSA-N 1 1 337.387 0.135 20 30 ECEDMO C#CC[NH2+][C@H]1CN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1(C)C ZINC000996008713 760931823 /nfs/dbraw/zinc/93/18/23/760931823.db2.gz GGOWUVYEUCIWQM-HNNXBMFYSA-N 1 1 332.448 0.835 20 30 ECEDMO CN1CCN(Cc2cccc(C(=O)NCC#CC[NH+](C)C)c2)CC1 ZINC000913518928 761047714 /nfs/dbraw/zinc/04/77/14/761047714.db2.gz HAONATHAFFMNPN-UHFFFAOYSA-N 1 1 328.460 0.729 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@H]12 ZINC000991473421 761111208 /nfs/dbraw/zinc/11/12/08/761111208.db2.gz OHWKTPYQQIEDPY-YJBOKZPZSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C(F)F)C[C@@]2(C)C1 ZINC000993067797 768009535 /nfs/dbraw/zinc/00/95/35/768009535.db2.gz GZLDAODOJWJPNE-GDZNZVCISA-N 1 1 339.386 0.656 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C(F)F)C[C@@]2(C)C1 ZINC000993067797 768009541 /nfs/dbraw/zinc/00/95/41/768009541.db2.gz GZLDAODOJWJPNE-GDZNZVCISA-N 1 1 339.386 0.656 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H](C)c2nnc(C)[nH]2)C1 ZINC001030031486 761201408 /nfs/dbraw/zinc/20/14/08/761201408.db2.gz RHDSQHVSLKXFFK-BPUTZDHNSA-N 1 1 344.463 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H](C)c2nnc(C)[nH]2)C1 ZINC001030031486 761201412 /nfs/dbraw/zinc/20/14/12/761201412.db2.gz RHDSQHVSLKXFFK-BPUTZDHNSA-N 1 1 344.463 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cnc(C)o1 ZINC001050962206 761229881 /nfs/dbraw/zinc/22/98/81/761229881.db2.gz GEWOCZYCQNJZPC-RDJZCZTQSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cnc(C)o1 ZINC001050962206 761229886 /nfs/dbraw/zinc/22/98/86/761229886.db2.gz GEWOCZYCQNJZPC-RDJZCZTQSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC1CCOCC1 ZINC001050962372 761231213 /nfs/dbraw/zinc/23/12/13/761231213.db2.gz KCAHPDSLLALJOR-ROUUACIJSA-N 1 1 349.475 0.328 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CC1CCOCC1 ZINC001050962372 761231221 /nfs/dbraw/zinc/23/12/21/761231221.db2.gz KCAHPDSLLALJOR-ROUUACIJSA-N 1 1 349.475 0.328 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C ZINC001051027117 761359592 /nfs/dbraw/zinc/35/95/92/761359592.db2.gz LCQWEUBOWVASPC-NFAWXSAZSA-N 1 1 328.420 0.916 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C)n1C ZINC001054559906 768041244 /nfs/dbraw/zinc/04/12/44/768041244.db2.gz LIAPXESYHGZYMD-SMDDNHRTSA-N 1 1 341.419 0.828 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1C ZINC001054559902 768041299 /nfs/dbraw/zinc/04/12/99/768041299.db2.gz LIAPXESYHGZYMD-BXUZGUMPSA-N 1 1 341.419 0.828 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001054548044 768038350 /nfs/dbraw/zinc/03/83/50/768038350.db2.gz OEBNBHGXGBPENG-BXUZGUMPSA-N 1 1 327.392 0.748 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001017492143 768056205 /nfs/dbraw/zinc/05/62/05/768056205.db2.gz FUQCORFJIBZYEE-ZFWWWQNUSA-N 1 1 334.420 0.142 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001017492143 768056209 /nfs/dbraw/zinc/05/62/09/768056209.db2.gz FUQCORFJIBZYEE-ZFWWWQNUSA-N 1 1 334.420 0.142 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CSCC#N)C1 ZINC001051205732 761685824 /nfs/dbraw/zinc/68/58/24/761685824.db2.gz MPUXTIAYXNFEAA-ZIAGYGMSSA-N 1 1 349.460 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H]2CCOC2)cn1 ZINC001051217416 761709122 /nfs/dbraw/zinc/70/91/22/761709122.db2.gz RXBCBIMXGIIRQF-PBHICJAKSA-N 1 1 329.400 0.530 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@H]2CCOC2)cn1 ZINC001051217416 761709126 /nfs/dbraw/zinc/70/91/26/761709126.db2.gz RXBCBIMXGIIRQF-PBHICJAKSA-N 1 1 329.400 0.530 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001054603274 768073127 /nfs/dbraw/zinc/07/31/27/768073127.db2.gz LUSZWWKGIOODBF-BXUZGUMPSA-N 1 1 342.407 0.533 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1cc(C#N)nc(CC)n1 ZINC001105917999 762755016 /nfs/dbraw/zinc/75/50/16/762755016.db2.gz UDTCIDLROXBQPH-CQSZACIVSA-N 1 1 348.451 0.532 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 ZINC001105918082 762756102 /nfs/dbraw/zinc/75/61/02/762756102.db2.gz WHUVTHQIIXKTEH-HNNXBMFYSA-N 1 1 333.436 0.883 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccncc2C#N)C[C@@H]1O ZINC001051749340 762868558 /nfs/dbraw/zinc/86/85/58/762868558.db2.gz DSMWBDOMTQFMPE-ZBFHGGJFSA-N 1 1 340.387 0.214 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(=O)n(CCOC)n3)CCC[C@H]12 ZINC000991708827 762870232 /nfs/dbraw/zinc/87/02/32/762870232.db2.gz JYEZXWIMNUEOJW-MAUKXSAKSA-N 1 1 344.415 0.250 20 30 ECEDMO CCc1nc(C#N)cc(NCC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001106294170 768096292 /nfs/dbraw/zinc/09/62/92/768096292.db2.gz PPKWHUKBFXWBNW-TZMCWYRMSA-N 1 1 346.435 0.548 20 30 ECEDMO CCc1nc(C#N)cc(NCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001106294170 768096298 /nfs/dbraw/zinc/09/62/98/768096298.db2.gz PPKWHUKBFXWBNW-TZMCWYRMSA-N 1 1 346.435 0.548 20 30 ECEDMO Cc1nsc(NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001106294190 768095568 /nfs/dbraw/zinc/09/55/68/768095568.db2.gz QEWHKYSQIMWCTB-GXFFZTMASA-N 1 1 337.449 0.961 20 30 ECEDMO Cc1nsc(NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001106294190 768095576 /nfs/dbraw/zinc/09/55/76/768095576.db2.gz QEWHKYSQIMWCTB-GXFFZTMASA-N 1 1 337.449 0.961 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn4c3CCC4)C2)C1=O ZINC001014658723 762965650 /nfs/dbraw/zinc/96/56/50/762965650.db2.gz MLQWHVKHVNWEJT-CZUORRHYSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnn4c3CCC4)C2)C1=O ZINC001014658723 762965655 /nfs/dbraw/zinc/96/56/55/762965655.db2.gz MLQWHVKHVNWEJT-CZUORRHYSA-N 1 1 343.431 0.420 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)s1 ZINC001014709827 763022803 /nfs/dbraw/zinc/02/28/03/763022803.db2.gz DFCOQEPREBCVHD-NWDGAFQWSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)s1 ZINC001014709827 763022813 /nfs/dbraw/zinc/02/28/13/763022813.db2.gz DFCOQEPREBCVHD-NWDGAFQWSA-N 1 1 332.429 0.836 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cc(C)on2)C1 ZINC001051829174 763065532 /nfs/dbraw/zinc/06/55/32/763065532.db2.gz WJAQTUZPKOPGOK-OAGGEKHMSA-N 1 1 335.404 0.891 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046779059 763114027 /nfs/dbraw/zinc/11/40/27/763114027.db2.gz ONPGUBXXMXTJNY-YJBOKZPZSA-N 1 1 326.400 0.917 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC001046779156 763114105 /nfs/dbraw/zinc/11/41/05/763114105.db2.gz PYYQIEWASSSCLR-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cc(C)on3)C2)nn1 ZINC001051859920 763134798 /nfs/dbraw/zinc/13/47/98/763134798.db2.gz HIGRLNSXQFRIBI-AWEZNQCLSA-N 1 1 346.391 0.391 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nccnc2C)C1 ZINC001014780101 763140267 /nfs/dbraw/zinc/14/02/67/763140267.db2.gz PKEBQGQFIJKOAV-RDJZCZTQSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nccnc2C)C1 ZINC001014780101 763140270 /nfs/dbraw/zinc/14/02/70/763140270.db2.gz PKEBQGQFIJKOAV-RDJZCZTQSA-N 1 1 327.432 0.573 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001051868273 763155609 /nfs/dbraw/zinc/15/56/09/763155609.db2.gz UBQHFEBSKDMMLH-DZKIICNBSA-N 1 1 349.435 0.411 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)cc1 ZINC001014812609 763216921 /nfs/dbraw/zinc/21/69/21/763216921.db2.gz UFYHEEBKJMVJRD-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)C1 ZINC000940296192 763261992 /nfs/dbraw/zinc/26/19/92/763261992.db2.gz WXHZRIRYRLZCJV-XJKCOSOUSA-N 1 1 343.431 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3cc(C)on3)C2)nc1 ZINC001051907505 763299921 /nfs/dbraw/zinc/29/99/21/763299921.db2.gz XYMNXCDKBOQDLX-MRXNPFEDSA-N 1 1 340.383 0.990 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051916636 763319758 /nfs/dbraw/zinc/31/97/58/763319758.db2.gz IMZQSEPNVMOIQC-QGZVFWFLSA-N 1 1 340.383 0.611 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001046940080 763426089 /nfs/dbraw/zinc/42/60/89/763426089.db2.gz RMSDRNZNIZIQSP-JHJVBQTASA-N 1 1 327.375 0.608 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001046940080 763426098 /nfs/dbraw/zinc/42/60/98/763426098.db2.gz RMSDRNZNIZIQSP-JHJVBQTASA-N 1 1 327.375 0.608 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001046943682 763431667 /nfs/dbraw/zinc/43/16/67/763431667.db2.gz GKDCUOFNVDCRPB-LLVKDONJSA-N 1 1 340.378 0.748 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001046943682 763431669 /nfs/dbraw/zinc/43/16/69/763431669.db2.gz GKDCUOFNVDCRPB-LLVKDONJSA-N 1 1 340.378 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccc(CO)cc2)C1 ZINC001030463936 763447105 /nfs/dbraw/zinc/44/71/05/763447105.db2.gz BCMYATYWJFEHQL-SFHVURJKSA-N 1 1 327.428 0.577 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccc(CO)cc2)C1 ZINC001030463936 763447107 /nfs/dbraw/zinc/44/71/07/763447107.db2.gz BCMYATYWJFEHQL-SFHVURJKSA-N 1 1 327.428 0.577 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046959682 763466101 /nfs/dbraw/zinc/46/61/01/763466101.db2.gz DNHCLOSFRGASPQ-GFCCVEGCSA-N 1 1 338.358 0.491 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001105994937 763480228 /nfs/dbraw/zinc/48/02/28/763480228.db2.gz KKJGEEOMBJWBCC-LSDHHAIUSA-N 1 1 346.435 0.500 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001046969506 763487424 /nfs/dbraw/zinc/48/74/24/763487424.db2.gz BZJRLZCSXHSSIL-STQMWFEESA-N 1 1 327.375 0.752 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001046969506 763487429 /nfs/dbraw/zinc/48/74/29/763487429.db2.gz BZJRLZCSXHSSIL-STQMWFEESA-N 1 1 327.375 0.752 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046969961 763488960 /nfs/dbraw/zinc/48/89/60/763488960.db2.gz HVXIOLWNECFSOH-RWMBFGLXSA-N 1 1 343.374 0.116 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)CC1 ZINC001051976739 763494132 /nfs/dbraw/zinc/49/41/32/763494132.db2.gz KBVLRWVPRDRTIS-AWEZNQCLSA-N 1 1 329.404 0.038 20 30 ECEDMO C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046982783 763506833 /nfs/dbraw/zinc/50/68/33/763506833.db2.gz TUSSYAVBKYERMC-LBPRGKRZSA-N 1 1 343.374 0.689 20 30 ECEDMO C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046982782 763506858 /nfs/dbraw/zinc/50/68/58/763506858.db2.gz TUSSYAVBKYERMC-GFCCVEGCSA-N 1 1 343.374 0.689 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001046994039 763531705 /nfs/dbraw/zinc/53/17/05/763531705.db2.gz GUYJCLLLYUHZFV-CHWSQXEVSA-N 1 1 337.374 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001046994039 763531707 /nfs/dbraw/zinc/53/17/07/763531707.db2.gz GUYJCLLLYUHZFV-CHWSQXEVSA-N 1 1 337.374 0.547 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001047022796 763563451 /nfs/dbraw/zinc/56/34/51/763563451.db2.gz BZHGKUIENQEGLO-XUXIUFHCSA-N 1 1 328.420 0.275 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2nccnc2C#N)C1 ZINC001047023781 763564461 /nfs/dbraw/zinc/56/44/61/763564461.db2.gz VHFKTMKLQSCKOI-AAVRWANBSA-N 1 1 328.420 0.853 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2nccnc2C#N)C1 ZINC001047023783 763564691 /nfs/dbraw/zinc/56/46/91/763564691.db2.gz VHFKTMKLQSCKOI-SYQHCUMBSA-N 1 1 328.420 0.853 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccc(F)cn3)C2)C1=O ZINC001014978955 763600566 /nfs/dbraw/zinc/60/05/66/763600566.db2.gz OHDRPXDKEKTLBQ-HOTGVXAUSA-N 1 1 346.406 0.741 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccc(F)cn3)C2)C1=O ZINC001014978955 763600570 /nfs/dbraw/zinc/60/05/70/763600570.db2.gz OHDRPXDKEKTLBQ-HOTGVXAUSA-N 1 1 346.406 0.741 20 30 ECEDMO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2(C#N)CCN(C)CC2)cn1 ZINC001127702913 763612366 /nfs/dbraw/zinc/61/23/66/763612366.db2.gz MPOLNNLGWBITPN-JKSUJKDBSA-N 1 1 344.463 0.560 20 30 ECEDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2(C#N)CCN(C)CC2)cn1 ZINC001127702913 763612371 /nfs/dbraw/zinc/61/23/71/763612371.db2.gz MPOLNNLGWBITPN-JKSUJKDBSA-N 1 1 344.463 0.560 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001047065304 763616824 /nfs/dbraw/zinc/61/68/24/763616824.db2.gz HMVRTEWHZQRWIJ-RGCMKSIDSA-N 1 1 328.420 0.995 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001047066071 763617671 /nfs/dbraw/zinc/61/76/71/763617671.db2.gz VIJKERSBVWXWKI-RGCMKSIDSA-N 1 1 328.420 0.995 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)C2)CC1 ZINC001052027527 763621932 /nfs/dbraw/zinc/62/19/32/763621932.db2.gz GYSWEAZHOYLZGJ-HOTGVXAUSA-N 1 1 341.459 0.681 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030071 763627935 /nfs/dbraw/zinc/62/79/35/763627935.db2.gz GVPOHJXRJDTWFL-HOTGVXAUSA-N 1 1 331.464 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030071 763627944 /nfs/dbraw/zinc/62/79/44/763627944.db2.gz GVPOHJXRJDTWFL-HOTGVXAUSA-N 1 1 331.464 0.928 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031063 763630801 /nfs/dbraw/zinc/63/08/01/763630801.db2.gz DGBOICIXNMEKLQ-GBESFXJTSA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031063 763630804 /nfs/dbraw/zinc/63/08/04/763630804.db2.gz DGBOICIXNMEKLQ-GBESFXJTSA-N 1 1 346.519 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 ZINC001047078157 763636151 /nfs/dbraw/zinc/63/61/51/763636151.db2.gz HDQLYELJXUHMFZ-DZKIICNBSA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 ZINC001047078157 763636155 /nfs/dbraw/zinc/63/61/55/763636155.db2.gz HDQLYELJXUHMFZ-DZKIICNBSA-N 1 1 338.415 0.753 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cc(OC)no3)C2)CC1 ZINC001052035521 763643926 /nfs/dbraw/zinc/64/39/26/763643926.db2.gz KYZLTRTVRUYBHS-OAHLLOKOSA-N 1 1 346.431 0.468 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4ccncc34)C2)CC1 ZINC001052035557 763643972 /nfs/dbraw/zinc/64/39/72/763643972.db2.gz DOPCTXFBDJVUFX-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C2)CC1 ZINC001052035880 763645169 /nfs/dbraw/zinc/64/51/69/763645169.db2.gz SNERHSCIWURCEY-CYBMUJFWSA-N 1 1 341.419 0.371 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052036227 763647388 /nfs/dbraw/zinc/64/73/88/763647388.db2.gz ICFCFCCBHHVJAI-QZTJIDSGSA-N 1 1 347.507 0.991 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)nnn3CC)C2)CC1 ZINC001052036893 763652522 /nfs/dbraw/zinc/65/25/22/763652522.db2.gz XCTZPYPIIVHAPG-OAHLLOKOSA-N 1 1 332.452 0.625 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4n3CCC4)C2)CC1 ZINC001052037982 763658097 /nfs/dbraw/zinc/65/80/97/763658097.db2.gz WEPYRUWTCSIFHD-HNNXBMFYSA-N 1 1 327.432 0.295 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052040161 763660955 /nfs/dbraw/zinc/66/09/55/763660955.db2.gz AEONRZQSVSZKDB-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052040161 763660957 /nfs/dbraw/zinc/66/09/57/763660957.db2.gz AEONRZQSVSZKDB-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C2)CC1 ZINC001052041083 763665038 /nfs/dbraw/zinc/66/50/38/763665038.db2.gz RNPKUIOKNRPXFX-AWEZNQCLSA-N 1 1 331.420 0.274 20 30 ECEDMO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)CC1 ZINC001052041283 763666971 /nfs/dbraw/zinc/66/69/71/763666971.db2.gz XZAPMEVSHINNCX-KRWDZBQOSA-N 1 1 344.459 0.794 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCOCC2)[C@H](OC)C1 ZINC001212185585 763686187 /nfs/dbraw/zinc/68/61/87/763686187.db2.gz YNGZJFGDHWXRHG-ARFHVFGLSA-N 1 1 326.437 0.821 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052576 763715574 /nfs/dbraw/zinc/71/55/74/763715574.db2.gz QJMGWOFLRHEQFX-QGZVFWFLSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052576 763715580 /nfs/dbraw/zinc/71/55/80/763715580.db2.gz QJMGWOFLRHEQFX-QGZVFWFLSA-N 1 1 329.448 0.814 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccn(C(C)C)n3)C2)CC1 ZINC001052055500 763724612 /nfs/dbraw/zinc/72/46/12/763724612.db2.gz MZZALMKFFHKQAJ-GOSISDBHSA-N 1 1 343.475 0.858 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)CC1 ZINC001052059894 763739021 /nfs/dbraw/zinc/73/90/21/763739021.db2.gz SCIALOMPPARKEY-KRWDZBQOSA-N 1 1 343.475 0.892 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@H]2CCN(C(=O)c3[nH]nnc3C)C2)CC1 ZINC001052060315 763739462 /nfs/dbraw/zinc/73/94/62/763739462.db2.gz CABNJRILQBTGSU-HNNXBMFYSA-N 1 1 332.452 0.911 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052060402 763739770 /nfs/dbraw/zinc/73/97/70/763739770.db2.gz CUHKXZTZCXJPCG-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052060403 763739977 /nfs/dbraw/zinc/73/99/77/763739977.db2.gz CUHKXZTZCXJPCG-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)CC1 ZINC001052060531 763740926 /nfs/dbraw/zinc/74/09/26/763740926.db2.gz GPQAXSFSOZKZDA-HNNXBMFYSA-N 1 1 343.431 0.264 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H](C)n3ccc(C)n3)C2)CC1 ZINC001052060501 763741176 /nfs/dbraw/zinc/74/11/76/763741176.db2.gz FREUALZBTAUJGC-ROUUACIJSA-N 1 1 343.475 0.994 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3nncn3C)CC2)C1 ZINC001052063107 763748458 /nfs/dbraw/zinc/74/84/58/763748458.db2.gz SKJOHJNEZUYPRZ-OAHLLOKOSA-N 1 1 346.479 0.746 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3csc(=O)[nH]3)C2)CC1 ZINC001052068081 763760353 /nfs/dbraw/zinc/76/03/53/763760353.db2.gz VDXYQFXRMRTPCH-CYBMUJFWSA-N 1 1 334.445 0.704 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3cncnc3)C2)CC1 ZINC001052070014 763766843 /nfs/dbraw/zinc/76/68/43/763766843.db2.gz ATANYZVGIQEMAH-WBVHZDCISA-N 1 1 327.432 0.432 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001047185862 763782367 /nfs/dbraw/zinc/78/23/67/763782367.db2.gz ARJJIVSRCFNVTN-XKQJLSEDSA-N 1 1 325.412 0.665 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(=O)cc3C)C2)CC1 ZINC001052081482 763798392 /nfs/dbraw/zinc/79/83/92/763798392.db2.gz MPBPITADICSXSL-INIZCTEOSA-N 1 1 342.443 0.951 20 30 ECEDMO C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)n1ccnc1 ZINC001052087749 763820016 /nfs/dbraw/zinc/82/00/16/763820016.db2.gz BMPPNRJWLHWSOK-HZPDHXFCSA-N 1 1 330.436 0.576 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)CC1 ZINC001052091818 763831815 /nfs/dbraw/zinc/83/18/15/763831815.db2.gz MVPFYMIEBYAFJS-FGTMMUONSA-N 1 1 339.443 0.927 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H](C)n3cccn3)C2)CC1 ZINC001052103081 763868249 /nfs/dbraw/zinc/86/82/49/763868249.db2.gz LBERIBKUGNKKJP-IAGOWNOFSA-N 1 1 329.448 0.686 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(OC)nc3)C2)CC1 ZINC001052105326 763875876 /nfs/dbraw/zinc/87/58/76/763875876.db2.gz IOZDIEHXMLFSPB-MRXNPFEDSA-N 1 1 343.431 0.341 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106167 763880151 /nfs/dbraw/zinc/88/01/51/763880151.db2.gz DMXODRINVONVFO-MJGOQNOKSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106167 763880158 /nfs/dbraw/zinc/88/01/58/763880158.db2.gz DMXODRINVONVFO-MJGOQNOKSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106409 763882334 /nfs/dbraw/zinc/88/23/34/763882334.db2.gz KIDCCJXLDWHTIL-WBVHZDCISA-N 1 1 341.459 0.366 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)cn2)C1 ZINC001106345098 768173668 /nfs/dbraw/zinc/17/36/68/768173668.db2.gz VZAPSMFNLJZVEB-ZFWWWQNUSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)cn2)C1 ZINC001106345098 768173674 /nfs/dbraw/zinc/17/36/74/768173674.db2.gz VZAPSMFNLJZVEB-ZFWWWQNUSA-N 1 1 331.420 0.981 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cn(C)nn3)C2)CC1 ZINC001052125503 763953241 /nfs/dbraw/zinc/95/32/41/763953241.db2.gz UEEXGFVFNFNKLC-INIZCTEOSA-N 1 1 332.452 0.152 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3cn(C)nn3)C2)CC1 ZINC001052125503 763953248 /nfs/dbraw/zinc/95/32/48/763953248.db2.gz UEEXGFVFNFNKLC-INIZCTEOSA-N 1 1 332.452 0.152 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC(Nc3ccncc3C#N)C2)O1 ZINC001052124899 763953388 /nfs/dbraw/zinc/95/33/88/763953388.db2.gz YXHDCJJAFRIOSZ-ZHOLYQSMSA-N 1 1 343.431 0.401 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC(Nc3ccncc3C#N)C2)O1 ZINC001052124899 763953395 /nfs/dbraw/zinc/95/33/95/763953395.db2.gz YXHDCJJAFRIOSZ-ZHOLYQSMSA-N 1 1 343.431 0.401 20 30 ECEDMO CN(C(=O)c1cocn1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047321792 763988862 /nfs/dbraw/zinc/98/88/62/763988862.db2.gz RWNHBVDNGAIDBF-HOTGVXAUSA-N 1 1 326.356 0.864 20 30 ECEDMO CN(C(=O)c1cocn1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047321792 763988871 /nfs/dbraw/zinc/98/88/71/763988871.db2.gz RWNHBVDNGAIDBF-HOTGVXAUSA-N 1 1 326.356 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C3=COCCO3)CC2)C1=O ZINC001052173755 764007340 /nfs/dbraw/zinc/00/73/40/764007340.db2.gz ZQSPTRGANJAYFT-CABCVRRESA-N 1 1 349.431 0.632 20 30 ECEDMO CO[C@@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1)C1CCC1 ZINC001047337079 764043034 /nfs/dbraw/zinc/04/30/34/764043034.db2.gz CYMMEWDSMTUSFF-ULQDDVLXSA-N 1 1 346.431 0.819 20 30 ECEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1OC ZINC001212348808 764048562 /nfs/dbraw/zinc/04/85/62/764048562.db2.gz BAHOIMILYLKRPP-ARFHVFGLSA-N 1 1 344.452 0.182 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)NC1=O ZINC001038599298 764053613 /nfs/dbraw/zinc/05/36/13/764053613.db2.gz ZFVMDDNCQKZTHX-LSDHHAIUSA-N 1 1 327.388 0.272 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)NC1=O ZINC001038599298 764053620 /nfs/dbraw/zinc/05/36/20/764053620.db2.gz ZFVMDDNCQKZTHX-LSDHHAIUSA-N 1 1 327.388 0.272 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C=C3CCC3)C2)C1=O ZINC001047345401 764063209 /nfs/dbraw/zinc/06/32/09/764063209.db2.gz UCIDYAWPICFHOM-JYJNAYRXSA-N 1 1 333.432 0.387 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C=C3CCC3)C2)C1=O ZINC001047345401 764063217 /nfs/dbraw/zinc/06/32/17/764063217.db2.gz UCIDYAWPICFHOM-JYJNAYRXSA-N 1 1 333.432 0.387 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cccnc2)C1 ZINC000991859350 764086514 /nfs/dbraw/zinc/08/65/14/764086514.db2.gz PLDXPSNJBXUKNL-PREGVCBESA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cccnc2)C1 ZINC000991859350 764086522 /nfs/dbraw/zinc/08/65/22/764086522.db2.gz PLDXPSNJBXUKNL-PREGVCBESA-N 1 1 340.427 0.804 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001047353835 764089679 /nfs/dbraw/zinc/08/96/79/764089679.db2.gz OLPIQRBUFJZAOZ-JYJNAYRXSA-N 1 1 332.404 0.573 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)nn1 ZINC001098784696 768189798 /nfs/dbraw/zinc/18/97/98/768189798.db2.gz JJFSOUKPQUQCSI-ZFWWWQNUSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC(C)(C)C3)C2)C1=O ZINC001047369094 764137672 /nfs/dbraw/zinc/13/76/72/764137672.db2.gz JBVDGWPVFDWWGA-JYJNAYRXSA-N 1 1 349.475 0.713 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC(C)(C)C3)C2)C1=O ZINC001047369094 764137677 /nfs/dbraw/zinc/13/76/77/764137677.db2.gz JBVDGWPVFDWWGA-JYJNAYRXSA-N 1 1 349.475 0.713 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001047392476 764196347 /nfs/dbraw/zinc/19/63/47/764196347.db2.gz KGYYSXQBMQUVJI-QWRGUYRKSA-N 1 1 332.326 0.742 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001047392476 764196356 /nfs/dbraw/zinc/19/63/56/764196356.db2.gz KGYYSXQBMQUVJI-QWRGUYRKSA-N 1 1 332.326 0.742 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398048 764214800 /nfs/dbraw/zinc/21/48/00/764214800.db2.gz AGUPXHKFAOYTDZ-PVAVHDDUSA-N 1 1 349.475 0.550 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001047403465 764232440 /nfs/dbraw/zinc/23/24/40/764232440.db2.gz GOLZPLOCELOURG-HOTGVXAUSA-N 1 1 342.403 0.356 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001047403465 764232447 /nfs/dbraw/zinc/23/24/47/764232447.db2.gz GOLZPLOCELOURG-HOTGVXAUSA-N 1 1 342.403 0.356 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001047405061 764237753 /nfs/dbraw/zinc/23/77/53/764237753.db2.gz ARUAFVCOXZUGNH-GJZGRUSLSA-N 1 1 327.388 0.775 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001047405061 764237762 /nfs/dbraw/zinc/23/77/62/764237762.db2.gz ARUAFVCOXZUGNH-GJZGRUSLSA-N 1 1 327.388 0.775 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cc(C)nn3C)C2)C1=O ZINC001015252393 764239222 /nfs/dbraw/zinc/23/92/22/764239222.db2.gz HREZYLDWJCHVKH-GDBMZVCRSA-N 1 1 345.447 0.248 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cc(C)nn3C)C2)C1=O ZINC001015252393 764239228 /nfs/dbraw/zinc/23/92/28/764239228.db2.gz HREZYLDWJCHVKH-GDBMZVCRSA-N 1 1 345.447 0.248 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)c[nH]1 ZINC001052319372 764242572 /nfs/dbraw/zinc/24/25/72/764242572.db2.gz YBYKFPFHVZAYBY-DZGCQCFKSA-N 1 1 329.404 0.749 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2COCCO2)C1 ZINC000995261197 764242971 /nfs/dbraw/zinc/24/29/71/764242971.db2.gz SQUOIAGICQTLNW-ZWKOTPCHSA-N 1 1 343.427 0.781 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2cn[nH]n2)C1 ZINC001089868221 764244177 /nfs/dbraw/zinc/24/41/77/764244177.db2.gz OULVSYBKPNUGOU-HJWJTTGWSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2c[nH]nn2)C1 ZINC001089868221 764244187 /nfs/dbraw/zinc/24/41/87/764244187.db2.gz OULVSYBKPNUGOU-HJWJTTGWSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2c[nH]nn2)C1 ZINC001089868221 764244199 /nfs/dbraw/zinc/24/41/99/764244199.db2.gz OULVSYBKPNUGOU-HJWJTTGWSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2cnn[nH]2)C1 ZINC001089868221 764244208 /nfs/dbraw/zinc/24/42/08/764244208.db2.gz OULVSYBKPNUGOU-HJWJTTGWSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2cnn[nH]2)C1 ZINC001089868221 764244219 /nfs/dbraw/zinc/24/42/19/764244219.db2.gz OULVSYBKPNUGOU-HJWJTTGWSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001047409045 764253984 /nfs/dbraw/zinc/25/39/84/764253984.db2.gz MIMMDRAFUFPEBQ-GJZGRUSLSA-N 1 1 343.383 0.158 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001047409045 764253992 /nfs/dbraw/zinc/25/39/92/764253992.db2.gz MIMMDRAFUFPEBQ-GJZGRUSLSA-N 1 1 343.383 0.158 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(CC)noc2CC)C1 ZINC001047412777 764265450 /nfs/dbraw/zinc/26/54/50/764265450.db2.gz HDWZLGRKCYXORG-HOTGVXAUSA-N 1 1 333.432 0.869 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001047418639 764283857 /nfs/dbraw/zinc/28/38/57/764283857.db2.gz YPSKDVQBZJOMCB-RYUDHWBXSA-N 1 1 332.326 0.749 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001047418639 764283866 /nfs/dbraw/zinc/28/38/66/764283866.db2.gz YPSKDVQBZJOMCB-RYUDHWBXSA-N 1 1 332.326 0.749 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001052351882 764314767 /nfs/dbraw/zinc/31/47/67/764314767.db2.gz GYKYILXSXJNLAK-WDEREUQCSA-N 1 1 346.225 0.974 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001052351882 764314771 /nfs/dbraw/zinc/31/47/71/764314771.db2.gz GYKYILXSXJNLAK-WDEREUQCSA-N 1 1 346.225 0.974 20 30 ECEDMO C=CCN1CC[C@H](N2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001015296621 764325007 /nfs/dbraw/zinc/32/50/07/764325007.db2.gz XBZZARZFKVOBKQ-GJZGRUSLSA-N 1 1 331.420 0.169 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3ncn(C)c32)C1 ZINC001047433102 764331104 /nfs/dbraw/zinc/33/11/04/764331104.db2.gz XDSHLUPVWCSNRC-HOTGVXAUSA-N 1 1 326.400 0.714 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3ncn(C)c32)C1 ZINC001047433102 764331106 /nfs/dbraw/zinc/33/11/06/764331106.db2.gz XDSHLUPVWCSNRC-HOTGVXAUSA-N 1 1 326.400 0.714 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001047433552 764332552 /nfs/dbraw/zinc/33/25/52/764332552.db2.gz FNVMBCHCJXFLIG-STQMWFEESA-N 1 1 331.376 0.357 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001047434882 764335701 /nfs/dbraw/zinc/33/57/01/764335701.db2.gz ANFSXJADEKTVJP-PVAVHDDUSA-N 1 1 332.448 0.915 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3nc4ncccn4n3)C2)c1 ZINC001032059269 764364481 /nfs/dbraw/zinc/36/44/81/764364481.db2.gz ULIGHVYFZNKALU-UHFFFAOYSA-N 1 1 347.382 0.858 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3sccn3c2=O)C1 ZINC001047447191 764373686 /nfs/dbraw/zinc/37/36/86/764373686.db2.gz NOMQIUKXEGLYJG-STQMWFEESA-N 1 1 348.428 0.449 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2conc2C(F)(F)F)C1 ZINC001047458458 764405830 /nfs/dbraw/zinc/40/58/30/764405830.db2.gz OMFKMAXXQGUUQB-QWRGUYRKSA-N 1 1 331.294 0.834 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2conc2C(F)(F)F)C1 ZINC001047458458 764405834 /nfs/dbraw/zinc/40/58/34/764405834.db2.gz OMFKMAXXQGUUQB-QWRGUYRKSA-N 1 1 331.294 0.834 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001047479116 764464315 /nfs/dbraw/zinc/46/43/15/764464315.db2.gz ANRCLYOFDPLKNG-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001052428544 764473738 /nfs/dbraw/zinc/47/37/38/764473738.db2.gz ISCSACYXWYRKTG-AWEZNQCLSA-N 1 1 329.466 0.569 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001047499766 764520347 /nfs/dbraw/zinc/52/03/47/764520347.db2.gz QNXOZEOBLVRVJA-YESZJQIVSA-N 1 1 339.480 0.565 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001047500265 764522178 /nfs/dbraw/zinc/52/21/78/764522178.db2.gz BJWDCXUDWKZBER-KKUMJFAQSA-N 1 1 332.404 0.402 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001047500265 764522183 /nfs/dbraw/zinc/52/21/83/764522183.db2.gz BJWDCXUDWKZBER-KKUMJFAQSA-N 1 1 332.404 0.402 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001047501066 764525091 /nfs/dbraw/zinc/52/50/91/764525091.db2.gz MKIVGMPJSMNNDU-STQMWFEESA-N 1 1 331.376 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnon2)CC1 ZINC001052456355 764536858 /nfs/dbraw/zinc/53/68/58/764536858.db2.gz FIEXJROQMIFWKU-ZBFHGGJFSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnon2)CC1 ZINC001052456355 764536868 /nfs/dbraw/zinc/53/68/68/764536868.db2.gz FIEXJROQMIFWKU-ZBFHGGJFSA-N 1 1 331.420 0.638 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)c1 ZINC001047521154 764578915 /nfs/dbraw/zinc/57/89/15/764578915.db2.gz MCSNYWAESZTISG-BZSNNMDCSA-N 1 1 343.427 0.749 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001047533305 764618048 /nfs/dbraw/zinc/61/80/48/764618048.db2.gz IAOWUJKOCTWMBE-QZWWFDLISA-N 1 1 338.448 0.650 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089877010 764622555 /nfs/dbraw/zinc/62/25/55/764622555.db2.gz XCDXPHJSNDENDL-UKMLZYKCSA-N 1 1 345.443 0.784 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CC(=O)NC1=O ZINC001089878854 764631602 /nfs/dbraw/zinc/63/16/02/764631602.db2.gz SOLKZPIIMGMEDM-XGUBFFRZSA-N 1 1 346.431 0.283 20 30 ECEDMO C[C@H](CCNc1ccc(C#N)cn1)NC(=O)CC[NH+]1CCOCC1 ZINC001106383235 768229278 /nfs/dbraw/zinc/22/92/78/768229278.db2.gz OONWBGZDZHMJDA-CQSZACIVSA-N 1 1 331.420 0.982 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001047547448 764655584 /nfs/dbraw/zinc/65/55/84/764655584.db2.gz RGNDBHKZLQAUDD-STQMWFEESA-N 1 1 336.367 0.619 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001047547448 764655589 /nfs/dbraw/zinc/65/55/89/764655589.db2.gz RGNDBHKZLQAUDD-STQMWFEESA-N 1 1 336.367 0.619 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3conc3COC)C2)C1=O ZINC001032120165 764660048 /nfs/dbraw/zinc/66/00/48/764660048.db2.gz OSYKJNDASKIJIY-HNNXBMFYSA-N 1 1 348.403 0.270 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc(C)cnc23)C1 ZINC001047550040 764666133 /nfs/dbraw/zinc/66/61/33/764666133.db2.gz LOQIJEWDTPOQQS-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc(C(F)(F)F)c2C)C1 ZINC001047553451 764675470 /nfs/dbraw/zinc/67/54/70/764675470.db2.gz HBIJRQBMROXXBA-QWRGUYRKSA-N 1 1 344.337 0.877 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc(C(F)(F)F)c2C)C1 ZINC001047553451 764675475 /nfs/dbraw/zinc/67/54/75/764675475.db2.gz HBIJRQBMROXXBA-QWRGUYRKSA-N 1 1 344.337 0.877 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)nn1 ZINC001047553869 764678496 /nfs/dbraw/zinc/67/84/96/764678496.db2.gz BJUXKDQINXOKLC-KBMXLJTQSA-N 1 1 349.435 0.150 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001089884912 764686633 /nfs/dbraw/zinc/68/66/33/764686633.db2.gz WTAXFWYRRQBSPE-AEIGPULVSA-N 1 1 326.400 0.529 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C2CCOCC2)C1 ZINC001047557258 764686882 /nfs/dbraw/zinc/68/68/82/764686882.db2.gz LOJKWBBYXAVBCF-IRXDYDNUSA-N 1 1 346.431 0.375 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C2CCOCC2)C1 ZINC001047557258 764686886 /nfs/dbraw/zinc/68/68/86/764686886.db2.gz LOJKWBBYXAVBCF-IRXDYDNUSA-N 1 1 346.431 0.375 20 30 ECEDMO Cc1c[nH]c(C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n1 ZINC001047558484 764693177 /nfs/dbraw/zinc/69/31/77/764693177.db2.gz RKZVKBVMKLGMSB-HOTGVXAUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1c[nH]c(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n1 ZINC001047558484 764693182 /nfs/dbraw/zinc/69/31/82/764693182.db2.gz RKZVKBVMKLGMSB-HOTGVXAUSA-N 1 1 339.399 0.907 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001047568066 764716279 /nfs/dbraw/zinc/71/62/79/764716279.db2.gz HYJKYPNTIXUIKX-XYJFISCASA-N 1 1 328.412 0.907 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088991023 764722148 /nfs/dbraw/zinc/72/21/48/764722148.db2.gz DHBMGOYIVZECIG-KCXAZCMYSA-N 1 1 326.400 0.916 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+]1Cc1ccccc1C#N ZINC001088991023 764722154 /nfs/dbraw/zinc/72/21/54/764722154.db2.gz DHBMGOYIVZECIG-KCXAZCMYSA-N 1 1 326.400 0.916 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)cc1 ZINC001015479259 764739262 /nfs/dbraw/zinc/73/92/62/764739262.db2.gz ADMJYEYBCVRWOB-INIZCTEOSA-N 1 1 326.400 0.497 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001052553839 764747183 /nfs/dbraw/zinc/74/71/83/764747183.db2.gz LGFSCWDVMVXYKA-BBRMVZONSA-N 1 1 328.416 0.816 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OC)ccn3)C2)C1=O ZINC001015485429 764753763 /nfs/dbraw/zinc/75/37/63/764753763.db2.gz WXRUAHHOCQMGTI-BBRMVZONSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(OC)ccn3)C2)C1=O ZINC001015485429 764753769 /nfs/dbraw/zinc/75/37/69/764753769.db2.gz WXRUAHHOCQMGTI-BBRMVZONSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001060409295 764762247 /nfs/dbraw/zinc/76/22/47/764762247.db2.gz YVQFQSLIBSTYCJ-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC001052586043 764802126 /nfs/dbraw/zinc/80/21/26/764802126.db2.gz GOMVOBXBDATKIG-CQSZACIVSA-N 1 1 341.415 0.939 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)[C@H]1C[N@@H+]([C@@H](C)COC)C[C@@H]1O ZINC001047592150 764806585 /nfs/dbraw/zinc/80/65/85/764806585.db2.gz FTXAMWWAEIEFCW-KKUMJFAQSA-N 1 1 349.431 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001052589433 764810150 /nfs/dbraw/zinc/81/01/50/764810150.db2.gz JDYJKTXSKGIPIE-ZDUSSCGKSA-N 1 1 325.376 0.275 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001052608261 764841097 /nfs/dbraw/zinc/84/10/97/764841097.db2.gz GCTJMHAUYJHCCL-LBPRGKRZSA-N 1 1 330.396 0.464 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001032159376 764843889 /nfs/dbraw/zinc/84/38/89/764843889.db2.gz HMRWJMTVRCRNLH-AWEZNQCLSA-N 1 1 331.420 0.421 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001015513435 764847677 /nfs/dbraw/zinc/84/76/77/764847677.db2.gz DPGLBIYKYZZRBR-ZWNOBZJWSA-N 1 1 333.417 0.334 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001015513435 764847681 /nfs/dbraw/zinc/84/76/81/764847681.db2.gz DPGLBIYKYZZRBR-ZWNOBZJWSA-N 1 1 333.417 0.334 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCOC)c2)C1 ZINC001047614149 764884892 /nfs/dbraw/zinc/88/48/92/764884892.db2.gz CEGBSLYYZXMIMN-HOTGVXAUSA-N 1 1 336.436 0.613 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001047616460 764892529 /nfs/dbraw/zinc/89/25/29/764892529.db2.gz YHJSHKARTOHZQL-HOTGVXAUSA-N 1 1 346.427 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cnns2)C1 ZINC000991951549 764894805 /nfs/dbraw/zinc/89/48/05/764894805.db2.gz DNBIQOUAPSFVSP-BPCQOVAHSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cnns2)C1 ZINC000991951549 764894812 /nfs/dbraw/zinc/89/48/12/764894812.db2.gz DNBIQOUAPSFVSP-BPCQOVAHSA-N 1 1 347.444 0.260 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047627831 764925040 /nfs/dbraw/zinc/92/50/40/764925040.db2.gz XGVGSSADFIORTQ-RCBQFDQVSA-N 1 1 348.472 0.575 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001047628564 764929755 /nfs/dbraw/zinc/92/97/55/764929755.db2.gz GXCPVCQHADFYNE-HOTGVXAUSA-N 1 1 329.400 0.416 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001047628564 764929762 /nfs/dbraw/zinc/92/97/62/764929762.db2.gz GXCPVCQHADFYNE-HOTGVXAUSA-N 1 1 329.400 0.416 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)c1 ZINC001052698232 765004367 /nfs/dbraw/zinc/00/43/67/765004367.db2.gz HDACFKLOAWQQRD-BBRMVZONSA-N 1 1 328.416 0.782 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CN(C)C(=O)COC ZINC001099102656 765075448 /nfs/dbraw/zinc/07/54/48/765075448.db2.gz PNQLNVSRUJJCAN-CQSZACIVSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC001052771426 765092785 /nfs/dbraw/zinc/09/27/85/765092785.db2.gz KYYIIINJLFEBRD-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1F ZINC001015633604 765106949 /nfs/dbraw/zinc/10/69/49/765106949.db2.gz IMEGLASHBSVZIW-OCCSQVGLSA-N 1 1 331.351 0.069 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1F ZINC001015633604 765106952 /nfs/dbraw/zinc/10/69/52/765106952.db2.gz IMEGLASHBSVZIW-OCCSQVGLSA-N 1 1 331.351 0.069 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001052784316 765116996 /nfs/dbraw/zinc/11/69/96/765116996.db2.gz QCXBEDFIBDSMPE-OAHLLOKOSA-N 1 1 348.451 0.726 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001077486640 765124831 /nfs/dbraw/zinc/12/48/31/765124831.db2.gz JHJPYRCXBJWPEJ-HZPDHXFCSA-N 1 1 335.448 0.066 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000992007147 765127897 /nfs/dbraw/zinc/12/78/97/765127897.db2.gz ADRBMLPRYSJCTC-PXCJXSSVSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001052792836 765131954 /nfs/dbraw/zinc/13/19/54/765131954.db2.gz UNRYMYREYJPBTM-GFCCVEGCSA-N 1 1 327.812 0.762 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000992006108 765132540 /nfs/dbraw/zinc/13/25/40/765132540.db2.gz BLFJQPGTGVGPCQ-UHFFFAOYSA-N 1 1 340.387 0.716 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3nnc[nH]3)CC2)C1=O ZINC001052805285 765155751 /nfs/dbraw/zinc/15/57/51/765155751.db2.gz NXZHDFNNYLWSRW-STQMWFEESA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001052805285 765155755 /nfs/dbraw/zinc/15/57/55/765155755.db2.gz NXZHDFNNYLWSRW-STQMWFEESA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001052805285 765155759 /nfs/dbraw/zinc/15/57/59/765155759.db2.gz NXZHDFNNYLWSRW-STQMWFEESA-N 1 1 332.408 0.176 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001052812679 765166272 /nfs/dbraw/zinc/16/62/72/765166272.db2.gz ALPRPXWULZFDNQ-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC000992018393 765176207 /nfs/dbraw/zinc/17/62/07/765176207.db2.gz WHLMLKQJJLDDHW-BBWFWOEESA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC000992018393 765176210 /nfs/dbraw/zinc/17/62/10/765176210.db2.gz WHLMLKQJJLDDHW-BBWFWOEESA-N 1 1 329.444 0.847 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC001052820342 765179237 /nfs/dbraw/zinc/17/92/37/765179237.db2.gz ODKJKHGDHXEIIS-CYBMUJFWSA-N 1 1 332.404 0.733 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001052841575 765211899 /nfs/dbraw/zinc/21/18/99/765211899.db2.gz NXBWYDAOHZPYLX-HOCLYGCPSA-N 1 1 348.447 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)cn1 ZINC001052877224 765281686 /nfs/dbraw/zinc/28/16/86/765281686.db2.gz GHCUMLCTWIGMQV-INIZCTEOSA-N 1 1 340.427 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC001052877746 765282963 /nfs/dbraw/zinc/28/29/63/765282963.db2.gz UTEMJLFQNOEYPL-CYBMUJFWSA-N 1 1 325.368 0.788 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(CCC)c3)C2)C1=O ZINC001015779049 765304440 /nfs/dbraw/zinc/30/44/40/765304440.db2.gz ZNQGITGUSLCWJU-HOTGVXAUSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CCC)c3)C2)C1=O ZINC001015779049 765304443 /nfs/dbraw/zinc/30/44/43/765304443.db2.gz ZNQGITGUSLCWJU-HOTGVXAUSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)cc1 ZINC001015809280 765367511 /nfs/dbraw/zinc/36/75/11/765367511.db2.gz LKMSIRRIRXENMQ-INIZCTEOSA-N 1 1 339.399 0.794 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)nn1 ZINC001015809420 765367525 /nfs/dbraw/zinc/36/75/25/765367525.db2.gz AKBSQRJBBOREAO-CHWSQXEVSA-N 1 1 342.407 0.047 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)cc1 ZINC001015834804 765404048 /nfs/dbraw/zinc/40/40/48/765404048.db2.gz LRXMLBUVJBDMCN-HOTGVXAUSA-N 1 1 326.400 0.917 20 30 ECEDMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015835616 765406973 /nfs/dbraw/zinc/40/69/73/765406973.db2.gz YKHPQBUWGFOLLE-DLBZAZTESA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015835616 765406976 /nfs/dbraw/zinc/40/69/76/765406976.db2.gz YKHPQBUWGFOLLE-DLBZAZTESA-N 1 1 325.412 0.897 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC001052959316 765415200 /nfs/dbraw/zinc/41/52/00/765415200.db2.gz UNNFLQBPRXSKOZ-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO Cn1nncc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052990091 765467993 /nfs/dbraw/zinc/46/79/93/765467993.db2.gz KIVDTKAGMKOGMP-GASCZTMLSA-N 1 1 343.435 0.092 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001053008903 765481813 /nfs/dbraw/zinc/48/18/13/765481813.db2.gz UBLXNIRBXSCPOF-CABCVRRESA-N 1 1 326.462 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001053008903 765481817 /nfs/dbraw/zinc/48/18/17/765481817.db2.gz UBLXNIRBXSCPOF-CABCVRRESA-N 1 1 326.462 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC001053054441 765531256 /nfs/dbraw/zinc/53/12/56/765531256.db2.gz MEUMWWYCRHTFOU-CVEARBPZSA-N 1 1 344.459 0.921 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001077492289 765535636 /nfs/dbraw/zinc/53/56/36/765535636.db2.gz BPZIWEWJODXJPW-CHWSQXEVSA-N 1 1 334.420 0.965 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(C(C)C)nn3)C2)C1=O ZINC001015913314 765536985 /nfs/dbraw/zinc/53/69/85/765536985.db2.gz NDWISLBXXVAMBI-UKRRQHHQSA-N 1 1 346.435 0.450 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cn(C(C)C)nn3)C2)C1=O ZINC001015913314 765536988 /nfs/dbraw/zinc/53/69/88/765536988.db2.gz NDWISLBXXVAMBI-UKRRQHHQSA-N 1 1 346.435 0.450 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001077492407 765542735 /nfs/dbraw/zinc/54/27/35/765542735.db2.gz HYUUYKVGICYKOF-HUUCEWRRSA-N 1 1 327.388 0.144 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2nnn(C)n2)C1 ZINC001053093022 765568870 /nfs/dbraw/zinc/56/88/70/765568870.db2.gz KAFZFRSZXSTOGI-LSDHHAIUSA-N 1 1 330.436 0.940 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)CC[N@H+]1C ZINC001106092829 765589121 /nfs/dbraw/zinc/58/91/21/765589121.db2.gz NYWUMLAPPVTHLK-XEZPLFJOSA-N 1 1 331.420 0.573 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)nc1 ZINC001016026467 765730293 /nfs/dbraw/zinc/73/02/93/765730293.db2.gz HOHWRPYLLOBBBM-GJZGRUSLSA-N 1 1 336.399 0.646 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNc2ncc(C#N)cc2F)C1 ZINC001106104714 765753671 /nfs/dbraw/zinc/75/36/71/765753671.db2.gz PJHKSIGRHHWUDO-AAEUAGOBSA-N 1 1 335.383 0.323 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12 ZINC000992172280 765767843 /nfs/dbraw/zinc/76/78/43/765767843.db2.gz OCTYPENUNKBXGK-YYAJDYIMSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cn3nnc4c3CCCC4)CCC[C@H]12 ZINC000992174784 765773123 /nfs/dbraw/zinc/77/31/23/765773123.db2.gz SQFMYSPERQCVFW-FUHWJXTLSA-N 1 1 327.432 0.903 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccnnc2)C1 ZINC000992208520 765902785 /nfs/dbraw/zinc/90/27/85/765902785.db2.gz QBXSNHACMULAGC-BCLQGDPASA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccnnc2)C1 ZINC000992208520 765902791 /nfs/dbraw/zinc/90/27/91/765902791.db2.gz QBXSNHACMULAGC-BCLQGDPASA-N 1 1 341.415 0.199 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CCO2 ZINC001053287218 765909004 /nfs/dbraw/zinc/90/90/04/765909004.db2.gz PHPKWCNPADVLLL-KRWDZBQOSA-N 1 1 349.475 0.729 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cc(=O)n(C)cn1)CCO2 ZINC001053291232 765919962 /nfs/dbraw/zinc/91/99/62/765919962.db2.gz FDSFBRUIXSWIJB-UHFFFAOYSA-N 1 1 332.404 0.273 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CCO2 ZINC001053304380 765940509 /nfs/dbraw/zinc/94/05/09/765940509.db2.gz ILURNFMZBOTYQR-IAGOWNOFSA-N 1 1 331.460 0.940 20 30 ECEDMO C=CCN1CC[C@H](N2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001016261268 765997672 /nfs/dbraw/zinc/99/76/72/765997672.db2.gz WGHXOTNRMSIWTF-CABCVRRESA-N 1 1 331.420 0.169 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)C(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992259567 766085839 /nfs/dbraw/zinc/08/58/39/766085839.db2.gz CLUCDKSKPURZRN-PXAZEXFGSA-N 1 1 348.403 0.096 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001016325496 766116739 /nfs/dbraw/zinc/11/67/39/766116739.db2.gz LJNJGZCCPSYTOD-OFLPRAFFSA-N 1 1 340.427 0.876 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001017767331 768354898 /nfs/dbraw/zinc/35/48/98/768354898.db2.gz LJWFCXNXYLUSRS-GASCZTMLSA-N 1 1 339.403 0.922 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=O)N(C)C)CC3)nn1 ZINC000992304533 766215697 /nfs/dbraw/zinc/21/56/97/766215697.db2.gz MOGFCPHMQKIJMP-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)nn1 ZINC000992304533 766215701 /nfs/dbraw/zinc/21/57/01/766215701.db2.gz MOGFCPHMQKIJMP-PBHICJAKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)CCn1cnccc1=O)CCO2 ZINC001053487465 766223210 /nfs/dbraw/zinc/22/32/10/766223210.db2.gz MDQSENBNRSFUTH-UHFFFAOYSA-N 1 1 346.431 0.513 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCN(C)S3(=O)=O)CCC[C@H]12 ZINC000992312355 766242834 /nfs/dbraw/zinc/24/28/34/766242834.db2.gz PMRFEJNROBEPAL-IJEWVQPXSA-N 1 1 339.461 0.157 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@H]12 ZINC000992320236 766257962 /nfs/dbraw/zinc/25/79/62/766257962.db2.gz CTTXYFVLGIPZNO-BLLLJJGKSA-N 1 1 339.823 0.905 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@H]12 ZINC000992320236 766257965 /nfs/dbraw/zinc/25/79/65/766257965.db2.gz CTTXYFVLGIPZNO-BLLLJJGKSA-N 1 1 339.823 0.905 20 30 ECEDMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)N1CCOCC1 ZINC001016432458 766289931 /nfs/dbraw/zinc/28/99/31/766289931.db2.gz KGNWRTVVTUHYOE-YJBOKZPZSA-N 1 1 342.443 0.969 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)N1CCOCC1 ZINC001016435074 766295369 /nfs/dbraw/zinc/29/53/69/766295369.db2.gz CPRRFGLMPATVBO-MAUKXSAKSA-N 1 1 342.443 0.969 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992337595 766308305 /nfs/dbraw/zinc/30/83/05/766308305.db2.gz QZMSIHNCYSLLIG-DYVFJYSZSA-N 1 1 334.420 0.618 20 30 ECEDMO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001031648408 766336495 /nfs/dbraw/zinc/33/64/95/766336495.db2.gz ZNEKAUFRBBOMHX-CQSZACIVSA-N 1 1 344.371 0.223 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045768212 766344256 /nfs/dbraw/zinc/34/42/56/766344256.db2.gz AXVOLOYNUVDNIJ-HNNXBMFYSA-N 1 1 335.448 0.517 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@@H]12 ZINC000992349999 766346343 /nfs/dbraw/zinc/34/63/43/766346343.db2.gz XZXCVJIRJCDXEK-BJAXYTJBSA-N 1 1 344.415 0.111 20 30 ECEDMO COC[C@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)O2 ZINC001053588135 766380715 /nfs/dbraw/zinc/38/07/15/766380715.db2.gz PDJPPHPNGIPMEB-GXTWGEPZSA-N 1 1 332.404 0.884 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001031666916 766392681 /nfs/dbraw/zinc/39/26/81/766392681.db2.gz UAYJGQMHMSRXET-DLBZAZTESA-N 1 1 348.491 0.694 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001031666918 766393292 /nfs/dbraw/zinc/39/32/92/766393292.db2.gz UAYJGQMHMSRXET-IAGOWNOFSA-N 1 1 348.491 0.694 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000992378567 766431189 /nfs/dbraw/zinc/43/11/89/766431189.db2.gz WUPQNPWKMVVCTK-BDVYOWHSSA-N 1 1 340.427 0.782 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251230 766435290 /nfs/dbraw/zinc/43/52/90/766435290.db2.gz STEURCFHDWEBLV-IAGOWNOFSA-N 1 1 345.447 0.677 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001016527698 766439091 /nfs/dbraw/zinc/43/90/91/766439091.db2.gz DCUQTSCHJOPILN-ODIFPOPNSA-N 1 1 340.427 0.734 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001016533022 766452694 /nfs/dbraw/zinc/45/26/94/766452694.db2.gz SLGGIDOUOSWBOO-UHFFFAOYSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(N)=O)cn1C)O2 ZINC001053627251 766471362 /nfs/dbraw/zinc/47/13/62/766471362.db2.gz RRYNNXCPTUXPJQ-AWEZNQCLSA-N 1 1 344.415 0.111 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001045925928 766498293 /nfs/dbraw/zinc/49/82/93/766498293.db2.gz XPIXUTGZGQIWDQ-YJBOKZPZSA-N 1 1 347.463 0.876 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)c(C)n[nH]c1=O)O2 ZINC001053640946 766498770 /nfs/dbraw/zinc/49/87/70/766498770.db2.gz HSIDNCIBKHGKEZ-CQSZACIVSA-N 1 1 344.415 0.786 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001045930182 766500423 /nfs/dbraw/zinc/50/04/23/766500423.db2.gz KZLLFRULABXZNN-GOSISDBHSA-N 1 1 343.431 0.951 20 30 ECEDMO O=C(C#CC1CC1)N1CCCC[C@@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001045938026 766509550 /nfs/dbraw/zinc/50/95/50/766509550.db2.gz QLLMXYJKHRBEAC-LPHOPBHVSA-N 1 1 329.444 0.993 20 30 ECEDMO C=CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649741 766512271 /nfs/dbraw/zinc/51/22/71/766512271.db2.gz VLEPWEWDOILNHD-HOTGVXAUSA-N 1 1 337.464 0.631 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1CCC3(CN(CC#N)C3)O1)CC2 ZINC001053654084 766519535 /nfs/dbraw/zinc/51/95/35/766519535.db2.gz FGHQJUNUPSCPEB-HOCLYGCPSA-N 1 1 343.431 0.627 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCCC(=O)N1)O2 ZINC001053662696 766535997 /nfs/dbraw/zinc/53/59/97/766535997.db2.gz TYYAIEVEDZPFML-CABCVRRESA-N 1 1 333.432 0.418 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001045966799 766536869 /nfs/dbraw/zinc/53/68/69/766536869.db2.gz GFHQXVTUBDNBGQ-FRQCXROJSA-N 1 1 347.459 0.747 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNc1cnc(C#N)cn1 ZINC001053666070 766540700 /nfs/dbraw/zinc/54/07/00/766540700.db2.gz AKUGVAZVGKCCSZ-NFAWXSAZSA-N 1 1 328.420 0.949 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001045973586 766543079 /nfs/dbraw/zinc/54/30/79/766543079.db2.gz NGLQKKDKLDPIRX-LJQANCHMSA-N 1 1 345.443 0.767 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001045980498 766552310 /nfs/dbraw/zinc/55/23/10/766552310.db2.gz ZXVFKJXXMXKDDA-SFHVURJKSA-N 1 1 348.447 0.771 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](N2CCN(C(=O)COC)CC2)C1 ZINC001045990428 766567445 /nfs/dbraw/zinc/56/74/45/766567445.db2.gz URPXNKKKBHXEBJ-CYBMUJFWSA-N 1 1 346.269 0.760 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](N2CCN(C(=O)COC)CC2)C1 ZINC001045990428 766567446 /nfs/dbraw/zinc/56/74/46/766567446.db2.gz URPXNKKKBHXEBJ-CYBMUJFWSA-N 1 1 346.269 0.760 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@H]12 ZINC000992445414 766583844 /nfs/dbraw/zinc/58/38/44/766583844.db2.gz ADKJIYRJBYKQKG-YOEHRIQHSA-N 1 1 333.436 0.580 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(OC)cc[nH]c1=O)O2 ZINC001053690006 766595536 /nfs/dbraw/zinc/59/55/36/766595536.db2.gz DHPXOCPSTGPNSI-CYBMUJFWSA-N 1 1 345.399 0.782 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1OC ZINC001212257971 766595980 /nfs/dbraw/zinc/59/59/80/766595980.db2.gz LATURUKUIIOBRX-HZPDHXFCSA-N 1 1 326.437 0.658 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N3CCN(C(=O)C(C)C)CC3)C2)C1=O ZINC001046005605 766613143 /nfs/dbraw/zinc/61/31/43/766613143.db2.gz VMRWRPJBXWMOTJ-IAGOWNOFSA-N 1 1 348.491 0.648 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C(C)=O)CCO3)CCC[C@@H]12 ZINC000992455508 766614873 /nfs/dbraw/zinc/61/48/73/766614873.db2.gz LSCGERNAWUMEOE-LZLYRXPVSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccnc1C(N)=O)O2 ZINC001053699547 766617229 /nfs/dbraw/zinc/61/72/29/766617229.db2.gz GCLZFQOXZDOZHA-CYBMUJFWSA-N 1 1 342.399 0.167 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12 ZINC000992463573 766635159 /nfs/dbraw/zinc/63/51/59/766635159.db2.gz JXPYPPDHXNOBLJ-CXAGYDPISA-N 1 1 332.404 0.017 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccn3)C2)CC1 ZINC001046011238 766635453 /nfs/dbraw/zinc/63/54/53/766635453.db2.gz AXSLMTLKAHLBGZ-DOTOQJQBSA-N 1 1 327.432 0.960 20 30 ECEDMO Cc1nccnc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011958 766638422 /nfs/dbraw/zinc/63/84/22/766638422.db2.gz JJPRJRULRFWMII-ZBFHGGJFSA-N 1 1 342.447 0.663 20 30 ECEDMO Cc1nn(C)cc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046013158 766641552 /nfs/dbraw/zinc/64/15/52/766641552.db2.gz TZKZBCDANFFKQW-YOEHRIQHSA-N 1 1 344.463 0.607 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nccnc3N)CC2)C1 ZINC001046013643 766643939 /nfs/dbraw/zinc/64/39/39/766643939.db2.gz GEKCEQINUSKCHT-AWEZNQCLSA-N 1 1 330.436 0.467 20 30 ECEDMO COC[C@@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046020349 766661904 /nfs/dbraw/zinc/66/19/04/766661904.db2.gz QUQJMMKWEBFUCX-ZBFHGGJFSA-N 1 1 345.447 0.753 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046022573 766669672 /nfs/dbraw/zinc/66/96/72/766669672.db2.gz TWSIWTDRLXVFCG-WMLDXEAASA-N 1 1 345.447 0.753 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1OC ZINC001212262346 766684294 /nfs/dbraw/zinc/68/42/94/766684294.db2.gz LUVFOSJSAAOTAE-KZNAEPCWSA-N 1 1 346.427 0.575 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@@H]12 ZINC000992485374 766686582 /nfs/dbraw/zinc/68/65/82/766686582.db2.gz FWHGYQQMYODXAJ-SJKOYZFVSA-N 1 1 334.420 0.616 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 ZINC001046027940 766688945 /nfs/dbraw/zinc/68/89/45/766688945.db2.gz UADRPMNZTNKUHP-IAGOWNOFSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(C)(C)C3=O)CCC[C@H]12 ZINC000992486633 766689939 /nfs/dbraw/zinc/68/99/39/766689939.db2.gz HMFGAUCJTWOEGD-SJCJKPOMSA-N 1 1 332.404 0.063 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000994750896 766692394 /nfs/dbraw/zinc/69/23/94/766692394.db2.gz DVTNZUUVIMMHLY-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000994750896 766692398 /nfs/dbraw/zinc/69/23/98/766692398.db2.gz DVTNZUUVIMMHLY-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)ns3)CC2)C1 ZINC001046030376 766696506 /nfs/dbraw/zinc/69/65/06/766696506.db2.gz PQNBDSOHNYBPDQ-CYBMUJFWSA-N 1 1 334.445 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)c(C)cn2)C1 ZINC000994751016 766696670 /nfs/dbraw/zinc/69/66/70/766696670.db2.gz LDIREPNNVWDREJ-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)c(C)cn2)C1 ZINC000994751016 766696673 /nfs/dbraw/zinc/69/66/73/766696673.db2.gz LDIREPNNVWDREJ-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2C)C1 ZINC000994751066 766696731 /nfs/dbraw/zinc/69/67/31/766696731.db2.gz MDGLYQUJTKXAAQ-HNNXBMFYSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2C)C1 ZINC000994751066 766696737 /nfs/dbraw/zinc/69/67/37/766696737.db2.gz MDGLYQUJTKXAAQ-HNNXBMFYSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001016670349 766698645 /nfs/dbraw/zinc/69/86/45/766698645.db2.gz LHFFFHACAQYVGA-RMGMUHOQSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001016670349 766698647 /nfs/dbraw/zinc/69/86/47/766698647.db2.gz LHFFFHACAQYVGA-RMGMUHOQSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#C)nc2)C1 ZINC000994752306 766701507 /nfs/dbraw/zinc/70/15/07/766701507.db2.gz RCCAFYQFKGWELV-KRWDZBQOSA-N 1 1 336.395 0.101 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#C)nc2)C1 ZINC000994752306 766701510 /nfs/dbraw/zinc/70/15/10/766701510.db2.gz RCCAFYQFKGWELV-KRWDZBQOSA-N 1 1 336.395 0.101 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC001046032222 766704443 /nfs/dbraw/zinc/70/44/43/766704443.db2.gz GDKWWENCDFAJKF-DLBZAZTESA-N 1 1 348.491 0.648 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(OCC)no2)C1 ZINC000994754238 766705384 /nfs/dbraw/zinc/70/53/84/766705384.db2.gz KIUFPMCJIJLQAO-ZDUSSCGKSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(OCC)no2)C1 ZINC000994754238 766705390 /nfs/dbraw/zinc/70/53/90/766705390.db2.gz KIUFPMCJIJLQAO-ZDUSSCGKSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC001046032572 766706321 /nfs/dbraw/zinc/70/63/21/766706321.db2.gz FUDWKJKTCKXCJB-GOSISDBHSA-N 1 1 341.459 0.651 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)C1 ZINC001046033817 766711099 /nfs/dbraw/zinc/71/10/99/766711099.db2.gz LWKFOIMTLSPIMT-INIZCTEOSA-N 1 1 341.459 0.763 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccn(C)n3)CC2)C1 ZINC001046034165 766713204 /nfs/dbraw/zinc/71/32/04/766713204.db2.gz QOQULNXKPKXCMB-GOSISDBHSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(OC)cc2)C1 ZINC000994755379 766719138 /nfs/dbraw/zinc/71/91/38/766719138.db2.gz RMEYZWSNYLOZJU-KRWDZBQOSA-N 1 1 341.411 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(OC)cc2)C1 ZINC000994755379 766719143 /nfs/dbraw/zinc/71/91/43/766719143.db2.gz RMEYZWSNYLOZJU-KRWDZBQOSA-N 1 1 341.411 0.733 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nnn3CC)CC2)C1 ZINC001046035283 766720067 /nfs/dbraw/zinc/72/00/67/766720067.db2.gz IOFXAKIMUJRTTI-OAHLLOKOSA-N 1 1 332.452 0.625 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4nccn43)CC2)C1 ZINC001046035217 766720144 /nfs/dbraw/zinc/72/01/44/766720144.db2.gz HHFUQWTTWRXYMB-SJORKVTESA-N 1 1 341.459 0.612 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCC2CCOCC2)C1 ZINC000994755963 766721663 /nfs/dbraw/zinc/72/16/63/766721663.db2.gz SRJXGYLMWMVZNA-KRWDZBQOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCC2CCOCC2)C1 ZINC000994755963 766721671 /nfs/dbraw/zinc/72/16/71/766721671.db2.gz SRJXGYLMWMVZNA-KRWDZBQOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3CC#C)CC2)C1 ZINC001046036330 766725101 /nfs/dbraw/zinc/72/51/01/766725101.db2.gz HEZMLCBMAGAMTK-MOPGFXCFSA-N 1 1 342.487 0.326 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001046037373 766733915 /nfs/dbraw/zinc/73/39/15/766733915.db2.gz XZRZRUYKBGQRPW-ULQDDVLXSA-N 1 1 337.464 0.585 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046037825 766736722 /nfs/dbraw/zinc/73/67/22/766736722.db2.gz ZXFWHMXBHLHFMC-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)C1 ZINC001046038148 766737660 /nfs/dbraw/zinc/73/76/60/766737660.db2.gz AUWUJGVNEBEDAW-HNNXBMFYSA-N 1 1 345.447 0.405 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC001046040228 766745568 /nfs/dbraw/zinc/74/55/68/766745568.db2.gz HHCAROBGSDWAIY-IAGOWNOFSA-N 1 1 343.475 0.850 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3COCCN3CC)CC2)C1 ZINC001046041918 766753839 /nfs/dbraw/zinc/75/38/39/766753839.db2.gz UWHKJSHPLCLEQP-SJORKVTESA-N 1 1 336.480 0.112 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC001046044404 766766659 /nfs/dbraw/zinc/76/66/59/766766659.db2.gz WAWGQXHJEGWDEI-QGZVFWFLSA-N 1 1 342.443 0.572 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc4cncn4c3)CC2)C1 ZINC001046044460 766767555 /nfs/dbraw/zinc/76/75/55/766767555.db2.gz XLYPEPKWTTZPOT-SFHVURJKSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc4cncn4c3)CC2)C1 ZINC001046044460 766767561 /nfs/dbraw/zinc/76/75/61/766767561.db2.gz XLYPEPKWTTZPOT-SFHVURJKSA-N 1 1 337.427 0.800 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)c(=O)cn3)CC2)C1 ZINC001046045213 766770093 /nfs/dbraw/zinc/77/00/93/766770093.db2.gz DVKCSZWTBLJBCM-OAHLLOKOSA-N 1 1 345.447 0.189 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(OC)nc3)CC2)C1 ZINC001046045350 766770293 /nfs/dbraw/zinc/77/02/93/766770293.db2.gz WVZQNVJPWVJIPL-MRXNPFEDSA-N 1 1 328.416 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncc(F)cc2F)C1 ZINC000994772103 766781688 /nfs/dbraw/zinc/78/16/88/766781688.db2.gz XDSZZEPANDXLAG-AWEZNQCLSA-N 1 1 348.353 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncc(F)cc2F)C1 ZINC000994772103 766781690 /nfs/dbraw/zinc/78/16/90/766781690.db2.gz XDSZZEPANDXLAG-AWEZNQCLSA-N 1 1 348.353 0.398 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCn3ccnc3)CC2)C1 ZINC001046049152 766783128 /nfs/dbraw/zinc/78/31/28/766783128.db2.gz LCFTZYOLMKVECA-KRWDZBQOSA-N 1 1 329.448 0.515 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001046049735 766784223 /nfs/dbraw/zinc/78/42/23/766784223.db2.gz WUEFVWZVHZMDKU-KGLIPLIRSA-N 1 1 340.855 0.094 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001046049735 766784227 /nfs/dbraw/zinc/78/42/27/766784227.db2.gz WUEFVWZVHZMDKU-KGLIPLIRSA-N 1 1 340.855 0.094 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)ccn3)CC2)C1 ZINC001046050273 766785370 /nfs/dbraw/zinc/78/53/70/766785370.db2.gz JAHIMXOHRTWAEC-OAHLLOKOSA-N 1 1 328.416 0.556 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H](C)n3ccc(C)n3)CC2)C1 ZINC001046051198 766791028 /nfs/dbraw/zinc/79/10/28/766791028.db2.gz YEJYZQQZXNHFLT-ROUUACIJSA-N 1 1 343.475 0.994 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC001046054885 766803661 /nfs/dbraw/zinc/80/36/61/766803661.db2.gz RCMIECRQMDHOHC-CQSZACIVSA-N 1 1 331.420 0.178 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046055663 766806713 /nfs/dbraw/zinc/80/67/13/766806713.db2.gz HPFWXRNYHIQNOY-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC001046056818 766810566 /nfs/dbraw/zinc/81/05/66/766810566.db2.gz UJFHVXLBQJYNJG-OAHLLOKOSA-N 1 1 343.431 0.346 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(F)CCOC3)CC2)C1 ZINC001046056889 766812789 /nfs/dbraw/zinc/81/27/89/766812789.db2.gz VRHSLQNJDKFHBI-DOTOQJQBSA-N 1 1 325.428 0.910 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccc(OC)cn3)CC2)C1 ZINC001046057218 766813185 /nfs/dbraw/zinc/81/31/85/766813185.db2.gz XHBAUFZQNIKCQL-KRWDZBQOSA-N 1 1 342.443 0.484 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccoc3CC(N)=O)CC2)C1 ZINC001046058473 766818561 /nfs/dbraw/zinc/81/85/61/766818561.db2.gz KYSMVZLCFYJTLA-AWEZNQCLSA-N 1 1 346.431 0.326 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC001046058519 766818891 /nfs/dbraw/zinc/81/88/91/766818891.db2.gz MVUHXPINOKECPP-INIZCTEOSA-N 1 1 347.463 0.594 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2COC3(C[NH+](CC[C@H]4CCOC4)C3)C2)c[nH]1 ZINC001053780531 766820679 /nfs/dbraw/zinc/82/06/79/766820679.db2.gz MUTQRXLGANURFX-BBRMVZONSA-N 1 1 344.415 0.886 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N4CCC4)[C@H]3C2)c1 ZINC001042000018 782579690 /nfs/dbraw/zinc/57/96/90/782579690.db2.gz KFBRYUYFYBEVHE-HOCLYGCPSA-N 1 1 341.415 0.655 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(OC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000994790750 766834191 /nfs/dbraw/zinc/83/41/91/766834191.db2.gz BERPNSGCKLQJHP-BBRMVZONSA-N 1 1 348.447 0.459 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cn[nH]n3)CC2)C1 ZINC001046062341 766834592 /nfs/dbraw/zinc/83/45/92/766834592.db2.gz FPBCEAPHSDGGDU-INIZCTEOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001046062341 766834601 /nfs/dbraw/zinc/83/46/01/766834601.db2.gz FPBCEAPHSDGGDU-INIZCTEOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001046062341 766834608 /nfs/dbraw/zinc/83/46/08/766834608.db2.gz FPBCEAPHSDGGDU-INIZCTEOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001046062341 766834617 /nfs/dbraw/zinc/83/46/17/766834617.db2.gz FPBCEAPHSDGGDU-INIZCTEOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001046062341 766834627 /nfs/dbraw/zinc/83/46/27/766834627.db2.gz FPBCEAPHSDGGDU-INIZCTEOSA-N 1 1 332.452 0.532 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC001046066805 766855499 /nfs/dbraw/zinc/85/54/99/766855499.db2.gz QCYCOPMXMFESAR-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)C1 ZINC001046067273 766856772 /nfs/dbraw/zinc/85/67/72/766856772.db2.gz WHPBMINOARSDFZ-MRXNPFEDSA-N 1 1 342.443 0.951 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CCOC)nn1)CO2 ZINC001053796243 766867911 /nfs/dbraw/zinc/86/79/11/766867911.db2.gz FBKFSOKWIPUFMM-ZDUSSCGKSA-N 1 1 335.408 0.074 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)COc3cccnc3)CC2)C1 ZINC001046072298 766880621 /nfs/dbraw/zinc/88/06/21/766880621.db2.gz WQFNWMATQHIUSF-QGZVFWFLSA-N 1 1 342.443 0.702 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c(C)nnn3CC)C2)C1=O ZINC001031727918 766884522 /nfs/dbraw/zinc/88/45/22/766884522.db2.gz YWHTVTFGTBTUFU-AWEZNQCLSA-N 1 1 346.435 0.055 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C(F)F)c3)CC2)C1 ZINC001046074614 766891857 /nfs/dbraw/zinc/89/18/57/766891857.db2.gz CHPLUGRGAZEXDX-CQSZACIVSA-N 1 1 337.374 0.744 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](CCF)C3)CC2)cn1 ZINC001046074500 766892566 /nfs/dbraw/zinc/89/25/66/766892566.db2.gz AGXZDZBVCNTVDU-KRWDZBQOSA-N 1 1 330.407 0.865 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC001046076214 766902554 /nfs/dbraw/zinc/90/25/54/766902554.db2.gz KOUOYEWLAGCMIJ-MRXNPFEDSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc4nccn4c3)CC2)C1 ZINC001046076556 766904152 /nfs/dbraw/zinc/90/41/52/766904152.db2.gz FQUIJQCUPSNJIN-KRWDZBQOSA-N 1 1 337.427 0.800 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC001046078781 766912060 /nfs/dbraw/zinc/91/20/60/766912060.db2.gz NNYZQPFGAZTASX-MRXNPFEDSA-N 1 1 345.447 0.893 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046080466 766916362 /nfs/dbraw/zinc/91/63/62/766916362.db2.gz HRBQBTKOAFPVDG-ZWKOTPCHSA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3[nH]cnc3CC)CC2)C1 ZINC001046080455 766916724 /nfs/dbraw/zinc/91/67/24/766916724.db2.gz HNBWLBPUBOIUFI-HNNXBMFYSA-N 1 1 329.448 0.828 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083184 766922905 /nfs/dbraw/zinc/92/29/05/766922905.db2.gz LWPPYYVPFCACBV-AWEZNQCLSA-N 1 1 338.843 0.249 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046083184 766922908 /nfs/dbraw/zinc/92/29/08/766922908.db2.gz LWPPYYVPFCACBV-AWEZNQCLSA-N 1 1 338.843 0.249 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCn3cc(C)cn3)CC2)C1 ZINC001046084454 766924981 /nfs/dbraw/zinc/92/49/81/766924981.db2.gz CTOPPHNACNHJIM-SFHVURJKSA-N 1 1 343.475 0.823 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(N(C)C)ccn3)CC2)C1 ZINC001046085435 766927703 /nfs/dbraw/zinc/92/77/03/766927703.db2.gz OFQBOIXDOKHSLD-KRWDZBQOSA-N 1 1 341.459 0.613 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046086625 766928423 /nfs/dbraw/zinc/92/84/23/766928423.db2.gz XZTHVMQYGSZBOF-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046086541 766928564 /nfs/dbraw/zinc/92/85/64/766928564.db2.gz WIJAOHJCMNGURX-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)OCCc3ccccc32)C1 ZINC001078270207 782595748 /nfs/dbraw/zinc/59/57/48/782595748.db2.gz BZDBUWKCLZJVRD-LMMKCTJWSA-N 1 1 328.412 0.659 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)CO2 ZINC001053827186 766955083 /nfs/dbraw/zinc/95/50/83/766955083.db2.gz SXVDJQANRCLIPL-HUUCEWRRSA-N 1 1 328.416 0.743 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCN(C)C1=O)CO2 ZINC001053841229 766988702 /nfs/dbraw/zinc/98/87/02/766988702.db2.gz DAFAAKMBQXMPDQ-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2O)c1 ZINC001083765113 766993755 /nfs/dbraw/zinc/99/37/55/766993755.db2.gz OEODZGVZGQDRNU-UAGQMJEPSA-N 1 1 329.400 0.264 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](Cc1cn(C)nn1)CC2 ZINC001016832355 767011563 /nfs/dbraw/zinc/01/15/63/767011563.db2.gz AFEFDVNFVCASKJ-PMPSAXMXSA-N 1 1 345.447 0.877 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3ncnn31)CO2 ZINC001053859421 767050097 /nfs/dbraw/zinc/05/00/97/767050097.db2.gz IWKSBQIDKUOUEG-ZDUSSCGKSA-N 1 1 327.388 0.879 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046198670 767050289 /nfs/dbraw/zinc/05/02/89/767050289.db2.gz XNWDNZURBIWXFN-QAPCUYQASA-N 1 1 326.400 0.917 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046198670 767050299 /nfs/dbraw/zinc/05/02/99/767050299.db2.gz XNWDNZURBIWXFN-QAPCUYQASA-N 1 1 326.400 0.917 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001046206436 767063625 /nfs/dbraw/zinc/06/36/25/767063625.db2.gz UVDDRZJNXMADLS-CXAGYDPISA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001046206436 767063637 /nfs/dbraw/zinc/06/36/37/767063637.db2.gz UVDDRZJNXMADLS-CXAGYDPISA-N 1 1 346.435 0.105 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCCC(=O)N1)CO2 ZINC001053865923 767073029 /nfs/dbraw/zinc/07/30/29/767073029.db2.gz NDOLPQWASBZRKD-LSDHHAIUSA-N 1 1 335.448 0.971 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001046230440 767097903 /nfs/dbraw/zinc/09/79/03/767097903.db2.gz ICKNIIFZCDVGTQ-KDOFPFPSSA-N 1 1 344.415 0.768 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046239891 767104201 /nfs/dbraw/zinc/10/42/01/767104201.db2.gz OAKLTSIWEUAHQL-APPDUMDISA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046239891 767104203 /nfs/dbraw/zinc/10/42/03/767104203.db2.gz OAKLTSIWEUAHQL-APPDUMDISA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ncoc2C)C1 ZINC000938755906 767106758 /nfs/dbraw/zinc/10/67/58/767106758.db2.gz BNRVEYFWHNRPJJ-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ncoc2C)C1 ZINC000938755906 767106760 /nfs/dbraw/zinc/10/67/60/767106760.db2.gz BNRVEYFWHNRPJJ-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2ccoc2)C1 ZINC000938756472 767107085 /nfs/dbraw/zinc/10/70/85/767107085.db2.gz PSHVHZCOWWCSIH-SJORKVTESA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2ccoc2)C1 ZINC000938756472 767107086 /nfs/dbraw/zinc/10/70/86/767107086.db2.gz PSHVHZCOWWCSIH-SJORKVTESA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC000938756464 767107172 /nfs/dbraw/zinc/10/71/72/767107172.db2.gz PNZZRHRKERFMIF-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC000938756464 767107173 /nfs/dbraw/zinc/10/71/73/767107173.db2.gz PNZZRHRKERFMIF-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001046249607 767109051 /nfs/dbraw/zinc/10/90/51/767109051.db2.gz YXNIPKZUAVFMPS-GUYCJALGSA-N 1 1 339.403 0.860 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)cc1=O ZINC001046252471 767110651 /nfs/dbraw/zinc/11/06/51/767110651.db2.gz ASLIBRQSDUTMOS-SFHVURJKSA-N 1 1 339.399 0.979 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001046269732 767118334 /nfs/dbraw/zinc/11/83/34/767118334.db2.gz PGMCETYBGYTGJK-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001046269732 767118335 /nfs/dbraw/zinc/11/83/35/767118335.db2.gz PGMCETYBGYTGJK-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046289575 767130441 /nfs/dbraw/zinc/13/04/41/767130441.db2.gz YGNMNMAUIITLDR-MAUKXSAKSA-N 1 1 327.384 0.727 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046289575 767130443 /nfs/dbraw/zinc/13/04/43/767130443.db2.gz YGNMNMAUIITLDR-MAUKXSAKSA-N 1 1 327.384 0.727 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001089729065 767133240 /nfs/dbraw/zinc/13/32/40/767133240.db2.gz HFCPSEGJIIKTOE-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001089730673 767134098 /nfs/dbraw/zinc/13/40/98/767134098.db2.gz DBZDXZBVJMEFAC-LBPRGKRZSA-N 1 1 332.404 0.340 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001089735178 767136798 /nfs/dbraw/zinc/13/67/98/767136798.db2.gz GLNOEFXFGFSDNJ-UONOGXRCSA-N 1 1 341.477 0.308 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046320978 767146123 /nfs/dbraw/zinc/14/61/23/767146123.db2.gz MPRNDNJPXNHQBN-GUYCJALGSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1nccnc1C#N ZINC001089771601 767155089 /nfs/dbraw/zinc/15/50/89/767155089.db2.gz YZAPIUOFEDVFGA-ZBFHGGJFSA-N 1 1 340.431 0.777 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1nccnc1C#N ZINC001089771601 767155091 /nfs/dbraw/zinc/15/50/91/767155091.db2.gz YZAPIUOFEDVFGA-ZBFHGGJFSA-N 1 1 340.431 0.777 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(OCC)n[nH]3)C2)C1=O ZINC001031763545 767166987 /nfs/dbraw/zinc/16/69/87/767166987.db2.gz SOAMKLWTUFVCLK-CQSZACIVSA-N 1 1 347.419 0.257 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@H]1OC ZINC001212295440 767180726 /nfs/dbraw/zinc/18/07/26/767180726.db2.gz PLTUSGAQGNRGOB-LVQVYYBASA-N 1 1 326.437 0.820 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccncc2)[C@H](OC)C1 ZINC001212311189 767199107 /nfs/dbraw/zinc/19/91/07/767199107.db2.gz IEEJXKOEQGWIPQ-HUUCEWRRSA-N 1 1 332.404 0.203 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CN=NC1=O ZINC001089795390 767220153 /nfs/dbraw/zinc/22/01/53/767220153.db2.gz NGJCGZJUQDXFPU-XGUBFFRZSA-N 1 1 329.404 0.176 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnn(C)c1N ZINC001089798463 767223028 /nfs/dbraw/zinc/22/30/28/767223028.db2.gz TVROTXFGXAVXET-HNKHHVNMSA-N 1 1 327.432 0.808 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001046466618 767243412 /nfs/dbraw/zinc/24/34/12/767243412.db2.gz NYZIHUTUCIXBCD-QGZVFWFLSA-N 1 1 334.420 0.660 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001046527779 767280442 /nfs/dbraw/zinc/28/04/42/767280442.db2.gz OCJKZDRALOKZBN-WBMJQRKESA-N 1 1 332.408 0.094 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001046527779 767280444 /nfs/dbraw/zinc/28/04/44/767280444.db2.gz OCJKZDRALOKZBN-WBMJQRKESA-N 1 1 332.408 0.094 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001046542648 767293360 /nfs/dbraw/zinc/29/33/60/767293360.db2.gz KPXOBFDGLNFXRW-SJKOYZFVSA-N 1 1 347.419 0.107 20 30 ECEDMO C=C(C)CN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053903904 767308896 /nfs/dbraw/zinc/30/88/96/767308896.db2.gz ALPBWLDJICSAPL-JKSUJKDBSA-N 1 1 337.464 0.631 20 30 ECEDMO C=C(C)CN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053903904 767308900 /nfs/dbraw/zinc/30/89/00/767308900.db2.gz ALPBWLDJICSAPL-JKSUJKDBSA-N 1 1 337.464 0.631 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053905199 767316613 /nfs/dbraw/zinc/31/66/13/767316613.db2.gz YVZZHZDOPHUOIJ-HZPDHXFCSA-N 1 1 335.448 0.078 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053905199 767316617 /nfs/dbraw/zinc/31/66/17/767316617.db2.gz YVZZHZDOPHUOIJ-HZPDHXFCSA-N 1 1 335.448 0.078 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 ZINC001046582498 767329066 /nfs/dbraw/zinc/32/90/66/767329066.db2.gz WGKUODBKBOIKKX-XPCVCDNBSA-N 1 1 328.420 0.853 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cnc3n2CCOC3)C1 ZINC001089823556 767340149 /nfs/dbraw/zinc/34/01/49/767340149.db2.gz AWXSNCDADDTEJF-VGWMRTNUSA-N 1 1 340.427 0.829 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046589475 767341531 /nfs/dbraw/zinc/34/15/31/767341531.db2.gz VTYFOHCTBMYTQJ-QAPCUYQASA-N 1 1 326.400 0.300 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046589475 767341535 /nfs/dbraw/zinc/34/15/35/767341535.db2.gz VTYFOHCTBMYTQJ-QAPCUYQASA-N 1 1 326.400 0.300 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)cn1 ZINC001089826163 767348741 /nfs/dbraw/zinc/34/87/41/767348741.db2.gz GNIPRFMGZBGNFB-IVSAIRAKSA-N 1 1 340.427 0.586 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1cc(C)ncc1C#N ZINC001106147770 767373675 /nfs/dbraw/zinc/37/36/75/767373675.db2.gz XKJXRYNWPYFXEF-DOTOQJQBSA-N 1 1 345.447 0.447 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCCC1=O ZINC001089831355 767394523 /nfs/dbraw/zinc/39/45/23/767394523.db2.gz KXLWQPPNCGMCET-YVSFHVDLSA-N 1 1 329.444 0.801 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)no1 ZINC000995007180 767403748 /nfs/dbraw/zinc/40/37/48/767403748.db2.gz ZGTCIHUSBBIYFP-UHFFFAOYSA-N 1 1 342.359 0.190 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncncc1Cl ZINC001106154309 767404837 /nfs/dbraw/zinc/40/48/37/767404837.db2.gz HOSUBEODEPTKET-YPMHNXCESA-N 1 1 337.811 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncncc1Cl ZINC001106154309 767404841 /nfs/dbraw/zinc/40/48/41/767404841.db2.gz HOSUBEODEPTKET-YPMHNXCESA-N 1 1 337.811 0.117 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001078292796 782627899 /nfs/dbraw/zinc/62/78/99/782627899.db2.gz YQRVPPXXSLVHHV-UKRRQHHQSA-N 1 1 330.388 0.630 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001106157878 767421795 /nfs/dbraw/zinc/42/17/95/767421795.db2.gz LGMMSGKNPPOZCZ-KBPBESRZSA-N 1 1 332.408 0.112 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001106157707 767422120 /nfs/dbraw/zinc/42/21/20/767422120.db2.gz IYGPKTDOQAITML-UONOGXRCSA-N 1 1 332.408 0.112 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 ZINC001127649022 767435718 /nfs/dbraw/zinc/43/57/18/767435718.db2.gz CZTMFTSDWKZQAE-UHFFFAOYSA-N 1 1 337.387 0.806 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)C1=O ZINC001031858358 767449322 /nfs/dbraw/zinc/44/93/22/767449322.db2.gz WMNQJYMNIAEPAB-LUKYLMHMSA-N 1 1 347.459 0.636 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)ccc1C#N ZINC001106165163 767462188 /nfs/dbraw/zinc/46/21/88/767462188.db2.gz FYYRAVGGWZSKQD-LSDHHAIUSA-N 1 1 331.420 0.635 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N(C)C)C2)cc1 ZINC001046677544 767463661 /nfs/dbraw/zinc/46/36/61/767463661.db2.gz CHINUARTAUTZNY-LJQANCHMSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N(C)C)C2)cc1 ZINC001046677544 767463665 /nfs/dbraw/zinc/46/36/65/767463665.db2.gz CHINUARTAUTZNY-LJQANCHMSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001046686069 767483145 /nfs/dbraw/zinc/48/31/45/767483145.db2.gz YNJMBVOLUPWPHK-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001046688833 767484664 /nfs/dbraw/zinc/48/46/64/767484664.db2.gz ACQBAURGWYTRJT-MLGOLLRUSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001046688833 767484668 /nfs/dbraw/zinc/48/46/68/767484668.db2.gz ACQBAURGWYTRJT-MLGOLLRUSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001046689809 767485958 /nfs/dbraw/zinc/48/59/58/767485958.db2.gz OXRQWFJCPKHEIB-MRXNPFEDSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001046689809 767485962 /nfs/dbraw/zinc/48/59/62/767485962.db2.gz OXRQWFJCPKHEIB-MRXNPFEDSA-N 1 1 334.424 0.137 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046690702 767488368 /nfs/dbraw/zinc/48/83/68/767488368.db2.gz DALBKXZXISDFBB-UONOGXRCSA-N 1 1 337.464 0.476 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn([C@@H]3CCOC3)nn1)CO2 ZINC001053976523 767507999 /nfs/dbraw/zinc/50/79/99/767507999.db2.gz GQVRHFOORLNPFV-UONOGXRCSA-N 1 1 347.419 0.389 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@H]1CCNC1=O ZINC001017091507 767573157 /nfs/dbraw/zinc/57/31/57/767573157.db2.gz DTADQKHDLAHQKT-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1noc3c1COCC3)CO2 ZINC001054015180 767603112 /nfs/dbraw/zinc/60/31/12/767603112.db2.gz ZSRUEPBXSNUQMF-LBPRGKRZSA-N 1 1 333.388 0.897 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nocc3C)C2)C1=O ZINC001046760104 767603236 /nfs/dbraw/zinc/60/32/36/767603236.db2.gz NAGCEUSWJQBNFA-SUMWQHHRSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3nocc3C)C2)C1=O ZINC001046760104 767603241 /nfs/dbraw/zinc/60/32/41/767603241.db2.gz NAGCEUSWJQBNFA-SUMWQHHRSA-N 1 1 332.404 0.964 20 30 ECEDMO CC#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001054036609 767634917 /nfs/dbraw/zinc/63/49/17/767634917.db2.gz OUDBFIZGKLRXQT-OALUTQOASA-N 1 1 341.455 0.883 20 30 ECEDMO CC#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001054036609 767634921 /nfs/dbraw/zinc/63/49/21/767634921.db2.gz OUDBFIZGKLRXQT-OALUTQOASA-N 1 1 341.455 0.883 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001054115908 767703368 /nfs/dbraw/zinc/70/33/68/767703368.db2.gz IFHDGQUPSBBRGT-UGSOOPFHSA-N 1 1 343.431 0.949 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001054115905 767703737 /nfs/dbraw/zinc/70/37/37/767703737.db2.gz IFHDGQUPSBBRGT-ACJLOTCBSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2C=CC=CC=C2)C1 ZINC000992866686 767705607 /nfs/dbraw/zinc/70/56/07/767705607.db2.gz AMWAWWQCGMUPJG-KRWDZBQOSA-N 1 1 325.412 0.709 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2C=CC=CC=C2)C1 ZINC000992866686 767705610 /nfs/dbraw/zinc/70/56/10/767705610.db2.gz AMWAWWQCGMUPJG-KRWDZBQOSA-N 1 1 325.412 0.709 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@]2(CC[N@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC001054130648 767725188 /nfs/dbraw/zinc/72/51/88/767725188.db2.gz VKWJLNUXXHKEPJ-APWZRJJASA-N 1 1 329.444 0.993 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cnc3n1CCOC3)C2 ZINC001054148156 767743768 /nfs/dbraw/zinc/74/37/68/767743768.db2.gz IOPSSPNTOZTHNK-SFHVURJKSA-N 1 1 328.416 0.975 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCCS1(=O)=O)C2 ZINC001054170288 767768070 /nfs/dbraw/zinc/76/80/70/767768070.db2.gz DQKKZDPRQPXCJK-WBVHZDCISA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCCS1(=O)=O)C2 ZINC001054170288 767768073 /nfs/dbraw/zinc/76/80/73/767768073.db2.gz DQKKZDPRQPXCJK-WBVHZDCISA-N 1 1 338.473 0.901 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@H+](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001042042284 782658616 /nfs/dbraw/zinc/65/86/16/782658616.db2.gz DMQXFKBDJULICL-DLBZAZTESA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@]3(CC[N@H+](C[C@@H](C)O)C3)C2)nn1 ZINC001054210126 767806981 /nfs/dbraw/zinc/80/69/81/767806981.db2.gz GPNBOJBJMBXXRF-PBHICJAKSA-N 1 1 333.436 0.773 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC3(C1)NC(=O)NC3=O)C2 ZINC001054212425 767808996 /nfs/dbraw/zinc/80/89/96/767808996.db2.gz GRHQPPQINZRUIP-VXVMZULRSA-N 1 1 346.431 0.475 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001054225473 767831467 /nfs/dbraw/zinc/83/14/67/767831467.db2.gz XVHNWCGUCYXMKK-GOSISDBHSA-N 1 1 346.431 0.266 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3n[nH]nc3C1)C2 ZINC001054225681 767832986 /nfs/dbraw/zinc/83/29/86/767832986.db2.gz AFXXDINFIPKSQV-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3[nH]nnc3C1)C2 ZINC001054225681 767832993 /nfs/dbraw/zinc/83/29/93/767832993.db2.gz AFXXDINFIPKSQV-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3[nH]nnc3C1)C2 ZINC001054225681 767833000 /nfs/dbraw/zinc/83/30/00/767833000.db2.gz AFXXDINFIPKSQV-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3nn[nH]c3C1)C2 ZINC001054225681 767833007 /nfs/dbraw/zinc/83/30/07/767833007.db2.gz AFXXDINFIPKSQV-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCc3nn[nH]c3C1)C2 ZINC001054225681 767833012 /nfs/dbraw/zinc/83/30/12/767833012.db2.gz AFXXDINFIPKSQV-KSSFIOAISA-N 1 1 327.432 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001054234403 767843742 /nfs/dbraw/zinc/84/37/42/767843742.db2.gz CTKPUFJKXDMNSL-FUHWJXTLSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 ZINC001054236655 767845702 /nfs/dbraw/zinc/84/57/02/767845702.db2.gz LQOXBXZPSOJPPG-KDOFPFPSSA-N 1 1 348.447 0.865 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)CCC1=O)C2 ZINC001054237765 767848802 /nfs/dbraw/zinc/84/88/02/767848802.db2.gz CABHIEQVPSZEHT-GOSISDBHSA-N 1 1 331.416 0.473 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C ZINC001106512466 768392905 /nfs/dbraw/zinc/39/29/05/768392905.db2.gz MEFRSBQQGHCSAI-KGYLQXTDSA-N 1 1 334.424 0.102 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CCn1cncn1 ZINC000993195385 768418250 /nfs/dbraw/zinc/41/82/50/768418250.db2.gz HMYLMFIMVFHOHT-IUODEOHRSA-N 1 1 327.392 0.761 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)C1 ZINC001054935013 768442399 /nfs/dbraw/zinc/44/23/99/768442399.db2.gz ASMGBTYVQHLNLK-FXUDXRNXSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)C1 ZINC001054935013 768442402 /nfs/dbraw/zinc/44/24/02/768442402.db2.gz ASMGBTYVQHLNLK-FXUDXRNXSA-N 1 1 341.415 0.510 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001055033143 768538769 /nfs/dbraw/zinc/53/87/69/768538769.db2.gz LPLRJMCKKLLFSO-ILXRZTDVSA-N 1 1 337.387 0.779 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001017974706 768572507 /nfs/dbraw/zinc/57/25/07/768572507.db2.gz FCPJFAHQYQCOMH-KFWWJZLASA-N 1 1 330.436 0.877 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001017974706 768572513 /nfs/dbraw/zinc/57/25/13/768572513.db2.gz FCPJFAHQYQCOMH-KFWWJZLASA-N 1 1 330.436 0.877 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)CC[N@H+]1C ZINC001055224769 768683248 /nfs/dbraw/zinc/68/32/48/768683248.db2.gz WKYFNFVAUWRKNP-FAHYXWLWSA-N 1 1 340.431 0.914 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(C(=O)C#CC(C)C)C[C@H]3C2)C1 ZINC001055332456 768789054 /nfs/dbraw/zinc/78/90/54/768789054.db2.gz VJSKJBHDAVMNCQ-BBWFWOEESA-N 1 1 347.459 0.283 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(C(=O)C#CC(C)C)C[C@H]3C2)C1 ZINC001055332456 768789059 /nfs/dbraw/zinc/78/90/59/768789059.db2.gz VJSKJBHDAVMNCQ-BBWFWOEESA-N 1 1 347.459 0.283 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)C1 ZINC001055341526 768799709 /nfs/dbraw/zinc/79/97/09/768799709.db2.gz IDACCFVIACCCCZ-JLNYLFASSA-N 1 1 326.404 0.526 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001055379774 768836645 /nfs/dbraw/zinc/83/66/45/768836645.db2.gz RQOFCTLWQJXJCC-WCXIOVBPSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]21 ZINC001042063477 782702028 /nfs/dbraw/zinc/70/20/28/782702028.db2.gz XMVONEZHHWKZJG-KGLIPLIRSA-N 1 1 331.416 0.328 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C ZINC000993371073 768899821 /nfs/dbraw/zinc/89/98/21/768899821.db2.gz YFVGYKCVRGNFGQ-QWHCGFSZSA-N 1 1 334.424 0.312 20 30 ECEDMO CCN(CCNc1ccc(C#N)nc1)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001106773307 768913824 /nfs/dbraw/zinc/91/38/24/768913824.db2.gz PINKWXFNMXFXAN-INIZCTEOSA-N 1 1 331.420 0.934 20 30 ECEDMO CCN(CCNc1ccc(C#N)nc1)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001106773307 768913828 /nfs/dbraw/zinc/91/38/28/768913828.db2.gz PINKWXFNMXFXAN-INIZCTEOSA-N 1 1 331.420 0.934 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993388647 768940641 /nfs/dbraw/zinc/94/06/41/768940641.db2.gz CYTDPBFNCXAPMG-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccnc1C(N)=O ZINC001018249037 768962278 /nfs/dbraw/zinc/96/22/78/768962278.db2.gz JZCFDXLHCYSAME-BETUJISGSA-N 1 1 329.404 0.831 20 30 ECEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@H](OC)C1 ZINC001212208872 768970271 /nfs/dbraw/zinc/97/02/71/768970271.db2.gz GCYGZQZJBOHMLW-MGPQQGTHSA-N 1 1 327.425 0.881 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1C#N)C2 ZINC001055509582 768973399 /nfs/dbraw/zinc/97/33/99/768973399.db2.gz LOEWYWJGHHSUJO-YEWWUXTCSA-N 1 1 340.431 0.918 20 30 ECEDMO CCc1ocnc1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055548064 769085197 /nfs/dbraw/zinc/08/51/97/769085197.db2.gz CTICVDAFJXMYQN-LBPRGKRZSA-N 1 1 347.419 0.707 20 30 ECEDMO Cc1nc(C)c(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001055550825 769093510 /nfs/dbraw/zinc/09/35/10/769093510.db2.gz BMPMOOVVMAYKIM-NSHDSACASA-N 1 1 347.419 0.762 20 30 ECEDMO CCc1nc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)co1 ZINC001055564207 769125300 /nfs/dbraw/zinc/12/53/00/769125300.db2.gz ZPILOFXHVPXWAQ-GFCCVEGCSA-N 1 1 347.419 0.707 20 30 ECEDMO Cc1ocnc1C(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055573860 769157120 /nfs/dbraw/zinc/15/71/20/769157120.db2.gz JSQBAJYSHGNROS-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)CC1 ZINC001018358341 769184818 /nfs/dbraw/zinc/18/48/18/769184818.db2.gz OMRAIIXWGNAKCR-OAHLLOKOSA-N 1 1 345.447 0.982 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)CC1 ZINC001018358763 769186870 /nfs/dbraw/zinc/18/68/70/769186870.db2.gz VBEKTJCYTIAMSU-OAHLLOKOSA-N 1 1 343.431 0.429 20 30 ECEDMO C=CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC001018360377 769192227 /nfs/dbraw/zinc/19/22/27/769192227.db2.gz WMIFFXYTGXIHAF-OAHLLOKOSA-N 1 1 345.447 0.982 20 30 ECEDMO C#CCC[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1C ZINC000993489281 769204303 /nfs/dbraw/zinc/20/43/03/769204303.db2.gz JTGZZFKIHGBLAL-HIFRSBDPSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1C ZINC000993489281 769204309 /nfs/dbraw/zinc/20/43/09/769204309.db2.gz JTGZZFKIHGBLAL-HIFRSBDPSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)CC(C)(C)O)C2)CC1 ZINC001018365782 769210388 /nfs/dbraw/zinc/21/03/88/769210388.db2.gz IXIYWSLJWWBPRM-INIZCTEOSA-N 1 1 349.475 0.554 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ncc[nH]3)C2)CC1 ZINC001018367793 769218058 /nfs/dbraw/zinc/21/80/58/769218058.db2.gz UONNYZDIZHCNHM-OAHLLOKOSA-N 1 1 345.447 0.982 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2csnn2)CC1 ZINC001055602086 769233811 /nfs/dbraw/zinc/23/38/11/769233811.db2.gz OMXKGOWPNYDCPU-UHFFFAOYSA-N 1 1 349.460 0.652 20 30 ECEDMO Cc1n[nH]cc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055607396 769245527 /nfs/dbraw/zinc/24/55/27/769245527.db2.gz ZHUUNMXPZYYSMX-UHFFFAOYSA-N 1 1 343.431 0.442 20 30 ECEDMO C=CC(C)(C)CC(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622443 769279451 /nfs/dbraw/zinc/27/94/51/769279451.db2.gz JWOIQWWYPIIFEX-UHFFFAOYSA-N 1 1 349.435 0.982 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000993559708 769316781 /nfs/dbraw/zinc/31/67/81/769316781.db2.gz CDKXAYLWGIJAOX-QWRGUYRKSA-N 1 1 327.406 0.696 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2n[nH]cc2F)CC1 ZINC001055637640 769319530 /nfs/dbraw/zinc/31/95/30/769319530.db2.gz CWUGPJNCNYABIK-SNVBAGLBSA-N 1 1 336.371 0.019 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2n[nH]cc2F)CC1 ZINC001055637915 769320647 /nfs/dbraw/zinc/32/06/47/769320647.db2.gz IAZLZVLFJHAXDB-UHFFFAOYSA-N 1 1 347.394 0.273 20 30 ECEDMO Cc1conc1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055642478 769330168 /nfs/dbraw/zinc/33/01/68/769330168.db2.gz GNXFMAZQLUEAQA-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000993570672 769339251 /nfs/dbraw/zinc/33/92/51/769339251.db2.gz QBPGYWRLKULQKK-RYUDHWBXSA-N 1 1 339.417 0.533 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000993687596 769483580 /nfs/dbraw/zinc/48/35/80/769483580.db2.gz MRMDKNBXRAETCL-DOMZBBRYSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993687596 769483584 /nfs/dbraw/zinc/48/35/84/769483584.db2.gz MRMDKNBXRAETCL-DOMZBBRYSA-N 1 1 339.403 0.865 20 30 ECEDMO CC(C)n1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)nn1 ZINC001078358072 782766876 /nfs/dbraw/zinc/76/68/76/782766876.db2.gz IRAAMYKUNYPCJM-ZFWWWQNUSA-N 1 1 334.424 0.726 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@H]21 ZINC001042100889 782765686 /nfs/dbraw/zinc/76/56/86/782765686.db2.gz PSAGYBVWWZXNAS-GDBMZVCRSA-N 1 1 328.416 0.973 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC001078358867 782770006 /nfs/dbraw/zinc/77/00/06/782770006.db2.gz XRKGTMDGHNEZTL-UKRRQHHQSA-N 1 1 348.451 0.900 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)CCc3cnc[nH]3)C2)CC1 ZINC000993851177 769753058 /nfs/dbraw/zinc/75/30/58/769753058.db2.gz ARXMHVBGDHGOJT-UHFFFAOYSA-N 1 1 343.431 0.015 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)C1 ZINC000993874828 769771572 /nfs/dbraw/zinc/77/15/72/769771572.db2.gz PHFBYOSEBLWKLC-OAGGEKHMSA-N 1 1 349.475 0.884 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)C1 ZINC000993874828 769771580 /nfs/dbraw/zinc/77/15/80/769771580.db2.gz PHFBYOSEBLWKLC-OAGGEKHMSA-N 1 1 349.475 0.884 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042104689 782778395 /nfs/dbraw/zinc/77/83/95/782778395.db2.gz RFBMYOASUFQBBV-OAHLLOKOSA-N 1 1 335.448 0.539 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000993870988 769822770 /nfs/dbraw/zinc/82/27/70/769822770.db2.gz URLLYEWLVHSCTK-OAGGEKHMSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042105299 782781451 /nfs/dbraw/zinc/78/14/51/782781451.db2.gz YPKBVJPIWJBXEV-AWEZNQCLSA-N 1 1 346.431 0.071 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCN(c2ncc(C#N)cc2F)CC1 ZINC001055824074 769860306 /nfs/dbraw/zinc/86/03/06/769860306.db2.gz YUDZKKHBSBSKMR-UHFFFAOYSA-N 1 1 328.351 0.946 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC001018831539 770034604 /nfs/dbraw/zinc/03/46/04/770034604.db2.gz SBQSCAWWFRGPNN-CVEARBPZSA-N 1 1 343.431 0.419 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H]1C ZINC000994089125 770117640 /nfs/dbraw/zinc/11/76/40/770117640.db2.gz DTZUAXRLEDFRFP-HZPDHXFCSA-N 1 1 330.432 0.853 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H]1C ZINC000994095982 770129470 /nfs/dbraw/zinc/12/94/70/770129470.db2.gz UCLKZHCWLUPWCW-HZPDHXFCSA-N 1 1 330.432 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@H]2CCOC2)[C@H](C)C1 ZINC000994103656 770175025 /nfs/dbraw/zinc/17/50/25/770175025.db2.gz XMKLIFFYMTVBOQ-TWMKSMIVSA-N 1 1 347.459 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@H]2CCOC2)[C@H](C)C1 ZINC000994103656 770175030 /nfs/dbraw/zinc/17/50/30/770175030.db2.gz XMKLIFFYMTVBOQ-TWMKSMIVSA-N 1 1 347.459 0.331 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001055910433 770179067 /nfs/dbraw/zinc/17/90/67/770179067.db2.gz OHGLTIIMHPQLCW-VQIMIIECSA-N 1 1 349.475 0.601 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001055934019 770275058 /nfs/dbraw/zinc/27/50/58/770275058.db2.gz ZXLLGLJYLDDPHI-QFBILLFUSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000994190565 770279411 /nfs/dbraw/zinc/27/94/11/770279411.db2.gz CGZMXAIQBPLWRL-CQSZACIVSA-N 1 1 330.432 0.957 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938687 770290528 /nfs/dbraw/zinc/29/05/28/770290528.db2.gz KFCRMSHECGWHQY-HNAYVOBHSA-N 1 1 347.459 0.354 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(NC(=O)C#CC(C)(C)C)C2)C1 ZINC001055939680 770296555 /nfs/dbraw/zinc/29/65/55/770296555.db2.gz FMSCJLZBCBPDAE-BEFAXECRSA-N 1 1 349.475 0.457 20 30 ECEDMO CC1(C)C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001089358685 770399881 /nfs/dbraw/zinc/39/98/81/770399881.db2.gz XYVLYRRJRXWXKW-DOMZBBRYSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]21 ZINC001042140626 782841814 /nfs/dbraw/zinc/84/18/14/782841814.db2.gz BGTVPQQPLSQKHO-LSDHHAIUSA-N 1 1 346.431 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](O)C(C)C)C2)C1 ZINC001018992778 770505612 /nfs/dbraw/zinc/50/56/12/770505612.db2.gz UBBNWRFDUKGQID-JKSUJKDBSA-N 1 1 347.459 0.162 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](O)C(C)C)C2)C1 ZINC001018992778 770505619 /nfs/dbraw/zinc/50/56/19/770505619.db2.gz UBBNWRFDUKGQID-JKSUJKDBSA-N 1 1 347.459 0.162 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]21 ZINC001042143652 782845559 /nfs/dbraw/zinc/84/55/59/782845559.db2.gz VPLUWOZERNFLPE-ZIAGYGMSSA-N 1 1 332.404 0.448 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019011382 770562952 /nfs/dbraw/zinc/56/29/52/770562952.db2.gz JBZFCZWMKIUJCC-HOCLYGCPSA-N 1 1 329.444 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)CCC)C1 ZINC001042150620 782853822 /nfs/dbraw/zinc/85/38/22/782853822.db2.gz DJCIPKHAMNCXPY-CABCVRRESA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)CCC)C1 ZINC001042150620 782853834 /nfs/dbraw/zinc/85/38/34/782853834.db2.gz DJCIPKHAMNCXPY-CABCVRRESA-N 1 1 335.448 0.210 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC000994335233 770633975 /nfs/dbraw/zinc/63/39/75/770633975.db2.gz GUWQYBFELWPIQZ-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO CC#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001056061777 770714172 /nfs/dbraw/zinc/71/41/72/770714172.db2.gz NXHMHCIHGDLWSY-LPHOPBHVSA-N 1 1 349.475 0.601 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1C ZINC000994419810 770758949 /nfs/dbraw/zinc/75/89/49/770758949.db2.gz YJRSSUCQUPHFBX-HUUCEWRRSA-N 1 1 343.493 0.262 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1C ZINC000994419810 770758955 /nfs/dbraw/zinc/75/89/55/770758955.db2.gz YJRSSUCQUPHFBX-HUUCEWRRSA-N 1 1 343.493 0.262 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@H]1C ZINC000994429033 770795021 /nfs/dbraw/zinc/79/50/21/770795021.db2.gz LJJVKMJMWNXBFB-ZIAGYGMSSA-N 1 1 326.404 0.659 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001056124456 770882702 /nfs/dbraw/zinc/88/27/02/770882702.db2.gz MNAYFBHABPNIIK-QFBILLFUSA-N 1 1 349.475 0.744 20 30 ECEDMO Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)c1C#N ZINC001056149585 770938054 /nfs/dbraw/zinc/93/80/54/770938054.db2.gz MPSOKZSWWLPURH-RFQIPJPRSA-N 1 1 331.445 0.968 20 30 ECEDMO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)ccc1C#N ZINC001056229547 771022738 /nfs/dbraw/zinc/02/27/38/771022738.db2.gz YDROFDFJMJCBSR-LJIGWXMPSA-N 1 1 325.416 0.764 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC(C)(C)C1 ZINC001089392028 771027633 /nfs/dbraw/zinc/02/76/33/771027633.db2.gz QZRPFOSEYQZGMN-CYBMUJFWSA-N 1 1 346.435 0.007 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC001019258581 771069107 /nfs/dbraw/zinc/06/91/07/771069107.db2.gz HGJADFPYHKMNCJ-JYJNAYRXSA-N 1 1 334.464 0.448 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001078412774 782898910 /nfs/dbraw/zinc/89/89/10/782898910.db2.gz HIZCYGLOMNLWNM-IRXDYDNUSA-N 1 1 346.431 0.479 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@H]21 ZINC001042179715 782899934 /nfs/dbraw/zinc/89/99/34/782899934.db2.gz PTNUCZRKGIJPRT-HUUCEWRRSA-N 1 1 328.416 0.567 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001056354912 771163473 /nfs/dbraw/zinc/16/34/73/771163473.db2.gz BEPYANVYFKXQNI-KNCOVGOOSA-N 1 1 326.404 0.383 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC)[C@@H]3C2)cc1 ZINC001042180634 782901226 /nfs/dbraw/zinc/90/12/26/782901226.db2.gz WGUQUHPUYWSIIP-NVXWUHKLSA-N 1 1 325.412 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC)[C@@H]3C2)cc1 ZINC001042180634 782901229 /nfs/dbraw/zinc/90/12/29/782901229.db2.gz WGUQUHPUYWSIIP-NVXWUHKLSA-N 1 1 325.412 0.950 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001060719571 771185564 /nfs/dbraw/zinc/18/55/64/771185564.db2.gz ITXNNJPZDHZHOI-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001060719571 771185569 /nfs/dbraw/zinc/18/55/69/771185569.db2.gz ITXNNJPZDHZHOI-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO CN(CCOCCNc1ccnc(C#N)n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001127443674 771217008 /nfs/dbraw/zinc/21/70/08/771217008.db2.gz RRVMRMDIZHYBIP-AWEZNQCLSA-N 1 1 346.435 0.141 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056406015 771234223 /nfs/dbraw/zinc/23/42/23/771234223.db2.gz SVGHIBNTZGMKKH-YESZJQIVSA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001056409606 771240610 /nfs/dbraw/zinc/24/06/10/771240610.db2.gz WTIAQDRPDHUSOD-ARFHVFGLSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)/C=C(/C)CC)[C@H](OC)C2)C1=O ZINC001212237567 771262554 /nfs/dbraw/zinc/26/25/54/771262554.db2.gz RRFUPTLGDGPINR-UIRAFXLXSA-N 1 1 335.448 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)/C=C(/C)CC)[C@H](OC)C2)C1=O ZINC001212237567 771262555 /nfs/dbraw/zinc/26/25/55/771262555.db2.gz RRFUPTLGDGPINR-UIRAFXLXSA-N 1 1 335.448 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)COCC ZINC001056452910 771283350 /nfs/dbraw/zinc/28/33/50/771283350.db2.gz OBMYTZZXDRUWSR-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)COCC ZINC001056452910 771283352 /nfs/dbraw/zinc/28/33/52/771283352.db2.gz OBMYTZZXDRUWSR-IKGGRYGDSA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3ncccn3)C2)nn1 ZINC001019482520 771345986 /nfs/dbraw/zinc/34/59/86/771345986.db2.gz YGUUQSJSDQVCFU-STQMWFEESA-N 1 1 327.392 0.819 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cn(CC)nn3)C2)nn1 ZINC001019493895 771358967 /nfs/dbraw/zinc/35/89/67/771358967.db2.gz QQVJGRNWNZVQFQ-ZDUSSCGKSA-N 1 1 344.423 0.470 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(CC#Cc3ccc(F)cc3)C2)C1 ZINC001031594883 771368675 /nfs/dbraw/zinc/36/86/75/771368675.db2.gz LTLGHVYIHQSDMI-GOSISDBHSA-N 1 1 345.418 0.556 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(CC#Cc3ccc(F)cc3)C2)C1 ZINC001031594883 771368681 /nfs/dbraw/zinc/36/86/81/771368681.db2.gz LTLGHVYIHQSDMI-GOSISDBHSA-N 1 1 345.418 0.556 20 30 ECEDMO C[C@H]1CCCCN1C(=O)C[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031603072 771388092 /nfs/dbraw/zinc/38/80/92/771388092.db2.gz GDJWPYVWPRIADV-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO CN(CCOCCNc1ccncc1C#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001127517757 771443248 /nfs/dbraw/zinc/44/32/48/771443248.db2.gz RYLVWMRNKVGLRX-QGZVFWFLSA-N 1 1 345.447 0.746 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCCO1 ZINC001089549594 771453798 /nfs/dbraw/zinc/45/37/98/771453798.db2.gz XJKSDYJKBWNRJM-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001060735497 771455227 /nfs/dbraw/zinc/45/52/27/771455227.db2.gz YJFSZCMDOIHPSD-QBPKDAKJSA-N 1 1 349.475 0.768 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)CC(C)(C)C1 ZINC001089554545 771465918 /nfs/dbraw/zinc/46/59/18/771465918.db2.gz WNCLGKRYZHQXPI-CQSZACIVSA-N 1 1 333.432 0.766 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001056812324 771676009 /nfs/dbraw/zinc/67/60/09/771676009.db2.gz WKHMPDCDMQWJOR-FVQBIDKESA-N 1 1 343.431 0.994 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001056812324 771676011 /nfs/dbraw/zinc/67/60/11/771676011.db2.gz WKHMPDCDMQWJOR-FVQBIDKESA-N 1 1 343.431 0.994 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001019673395 771701915 /nfs/dbraw/zinc/70/19/15/771701915.db2.gz QCTQQVNNSHEWNR-ZDUSSCGKSA-N 1 1 340.387 0.524 20 30 ECEDMO CN(c1ccc(C#N)cn1)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001056879841 771756829 /nfs/dbraw/zinc/75/68/29/771756829.db2.gz NSCVGKPURYXCOR-GJZGRUSLSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ccc(C#N)cn1)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001056879841 771756832 /nfs/dbraw/zinc/75/68/32/771756832.db2.gz NSCVGKPURYXCOR-GJZGRUSLSA-N 1 1 329.404 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccsc1 ZINC001056921933 771807734 /nfs/dbraw/zinc/80/77/34/771807734.db2.gz AEJYLMKNQXEALS-HNNXBMFYSA-N 1 1 349.456 0.396 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccsc1 ZINC001056921933 771807740 /nfs/dbraw/zinc/80/77/40/771807740.db2.gz AEJYLMKNQXEALS-HNNXBMFYSA-N 1 1 349.456 0.396 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3cc(C)n(C)n3)C2)CC1 ZINC001019814329 771828955 /nfs/dbraw/zinc/82/89/55/771828955.db2.gz ZFMZMCGDZOLKHL-KRWDZBQOSA-N 1 1 343.475 0.764 20 30 ECEDMO CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001057056969 772009097 /nfs/dbraw/zinc/00/90/97/772009097.db2.gz JRMZFQUSJUWWMR-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3ccnc(C#N)n3)C2)O1 ZINC001057062984 772020204 /nfs/dbraw/zinc/02/02/04/772020204.db2.gz VCUCRNZOMPYNNZ-HZSPNIEDSA-N 1 1 344.419 0.104 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3ccnc(C#N)n3)C2)O1 ZINC001057062984 772020209 /nfs/dbraw/zinc/02/02/09/772020209.db2.gz VCUCRNZOMPYNNZ-HZSPNIEDSA-N 1 1 344.419 0.104 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCCN(c3nccnc3C#N)CC2)C1 ZINC001057157920 772189222 /nfs/dbraw/zinc/18/92/22/772189222.db2.gz WKSHMORMIXEWNG-CQSZACIVSA-N 1 1 328.420 0.729 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001057174275 772215123 /nfs/dbraw/zinc/21/51/23/772215123.db2.gz XQCJCRDMGRISKU-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C)C1 ZINC001020193914 772264522 /nfs/dbraw/zinc/26/45/22/772264522.db2.gz QNNHETBKLMAPMA-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001042263455 783001322 /nfs/dbraw/zinc/00/13/22/783001322.db2.gz VAOZWWNRKPOEFE-CABCVRRESA-N 1 1 330.436 0.743 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057234901 772319249 /nfs/dbraw/zinc/31/92/49/772319249.db2.gz UKCTXZGMSGQPAI-KBPBESRZSA-N 1 1 328.420 0.585 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057234938 772319654 /nfs/dbraw/zinc/31/96/54/772319654.db2.gz WBYHTJKSAJVSFI-UKRRQHHQSA-N 1 1 328.420 0.585 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCN1C(=O)C#CC1CC1 ZINC001020249137 772348429 /nfs/dbraw/zinc/34/84/29/772348429.db2.gz KINHQMXYCXLDTM-QOKNQOGYSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H](C)c2nnc(C)o2)C1 ZINC001020250301 772349622 /nfs/dbraw/zinc/34/96/22/772349622.db2.gz AKZHGWJMRIKQTN-MXAVVETBSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H](C)c2nnc(C)o2)C1 ZINC001020250301 772349627 /nfs/dbraw/zinc/34/96/27/772349627.db2.gz AKZHGWJMRIKQTN-MXAVVETBSA-N 1 1 331.420 0.773 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001020271501 772380727 /nfs/dbraw/zinc/38/07/27/772380727.db2.gz WJVPNRVACPTPKM-ZOWXZIJZSA-N 1 1 329.404 0.557 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)cn1 ZINC001020272298 772382569 /nfs/dbraw/zinc/38/25/69/772382569.db2.gz FRLKXRFKECHEJN-QRTARXTBSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@H]21 ZINC001042267589 783010054 /nfs/dbraw/zinc/01/00/54/783010054.db2.gz YVQAJAOKDQKDSG-DZGCQCFKSA-N 1 1 339.399 0.995 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 ZINC001057291992 772414301 /nfs/dbraw/zinc/41/43/01/772414301.db2.gz YMOTXMAGPJWQEM-UHFFFAOYSA-N 1 1 349.435 0.169 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CCCO)[C@@H]3C2)nn1 ZINC001042267931 783010909 /nfs/dbraw/zinc/01/09/09/783010909.db2.gz YEJMQICPAWTSCH-GOEBONIOSA-N 1 1 333.436 0.773 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3nccnc3C#N)CC2)C1 ZINC001057303246 772432584 /nfs/dbraw/zinc/43/25/84/772432584.db2.gz KISMDKZDAYXJKX-AWEZNQCLSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3nccnc3C#N)CC2)C1 ZINC001057303246 772432587 /nfs/dbraw/zinc/43/25/87/772432587.db2.gz KISMDKZDAYXJKX-AWEZNQCLSA-N 1 1 330.392 0.082 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001057390249 772558995 /nfs/dbraw/zinc/55/89/95/772558995.db2.gz UWWAGOIJUGXMGA-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057426988 772601834 /nfs/dbraw/zinc/60/18/34/772601834.db2.gz MCYUPYSZLKGMJV-JSGCOSHPSA-N 1 1 328.420 0.371 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 ZINC001057426862 772601885 /nfs/dbraw/zinc/60/18/85/772601885.db2.gz JCBORHLKTYBIEK-WFASDCNBSA-N 1 1 328.420 0.949 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057535978 772731255 /nfs/dbraw/zinc/73/12/55/772731255.db2.gz IPNROKVBHPMSPU-IAGOWNOFSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001057739085 772955709 /nfs/dbraw/zinc/95/57/09/772955709.db2.gz LLDLDIXRIOSVQG-HUUCEWRRSA-N 1 1 337.464 0.620 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057786358 772982293 /nfs/dbraw/zinc/98/22/93/772982293.db2.gz VCKPHGCCILJUCC-OAHLLOKOSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057786358 772982295 /nfs/dbraw/zinc/98/22/95/772982295.db2.gz VCKPHGCCILJUCC-OAHLLOKOSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001076832809 783066239 /nfs/dbraw/zinc/06/62/39/783066239.db2.gz ZETYFTBDICGSSY-JKSUJKDBSA-N 1 1 349.475 0.912 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057945687 773245703 /nfs/dbraw/zinc/24/57/03/773245703.db2.gz CUCKARBVVGDGEL-JSGCOSHPSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CCCCC1 ZINC001057960935 773289937 /nfs/dbraw/zinc/28/99/37/773289937.db2.gz BLYRUJCPOMUUPM-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CCCCC1 ZINC001057960935 773289940 /nfs/dbraw/zinc/28/99/40/773289940.db2.gz BLYRUJCPOMUUPM-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@@H](C)CC ZINC001057961080 773290588 /nfs/dbraw/zinc/29/05/88/773290588.db2.gz IIDOQUQVOTZBBQ-HOTGVXAUSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@@H](C)CC ZINC001057961080 773290593 /nfs/dbraw/zinc/29/05/93/773290593.db2.gz IIDOQUQVOTZBBQ-HOTGVXAUSA-N 1 1 337.464 0.457 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CCN(c3cncc(C#N)n3)CC2)CC[N@H+]1C ZINC001057965072 773297809 /nfs/dbraw/zinc/29/78/09/773297809.db2.gz YFPBTYIZXQYBDM-IUODEOHRSA-N 1 1 328.420 0.773 20 30 ECEDMO CCc1nc(C#N)cc(N2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058165411 773678491 /nfs/dbraw/zinc/67/84/91/773678491.db2.gz BOJGRQHIVLLRMH-KGLIPLIRSA-N 1 1 342.447 0.947 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058177290 773707751 /nfs/dbraw/zinc/70/77/51/773707751.db2.gz VRGNJDMOGWBCBL-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058211817 773782550 /nfs/dbraw/zinc/78/25/50/773782550.db2.gz PYZAIEPRYVXMEE-CYBMUJFWSA-N 1 1 325.376 0.638 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058219454 773793471 /nfs/dbraw/zinc/79/34/71/773793471.db2.gz UORYQYZBXCASHI-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058241045 773828923 /nfs/dbraw/zinc/82/89/23/773828923.db2.gz HCBHTWJZTIRZFE-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001058241517 773829295 /nfs/dbraw/zinc/82/92/95/773829295.db2.gz RXNMIAMYMAIADY-KBPBESRZSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058254046 773850098 /nfs/dbraw/zinc/85/00/98/773850098.db2.gz SBOLGRWNENSARB-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO C#CCCCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058307226 773944037 /nfs/dbraw/zinc/94/40/37/773944037.db2.gz CCZHULSUYIGMPV-MRXNPFEDSA-N 1 1 337.464 0.459 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 ZINC001058372199 774052675 /nfs/dbraw/zinc/05/26/75/774052675.db2.gz UDJWHESYKRPDCE-ZDUSSCGKSA-N 1 1 325.376 0.557 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001058434999 774173773 /nfs/dbraw/zinc/17/37/73/774173773.db2.gz BZKNITUENRYULV-HUUCEWRRSA-N 1 1 327.469 0.724 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)CC[N@@H+](C)CC ZINC001058468158 774242994 /nfs/dbraw/zinc/24/29/94/774242994.db2.gz BPZPTCOTLHMFKF-OAHLLOKOSA-N 1 1 327.469 0.868 20 30 ECEDMO N#Cc1nccc(N2CC[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001058469218 774245807 /nfs/dbraw/zinc/24/58/07/774245807.db2.gz BMZQCFHIIFDOKL-OLZOCXBDSA-N 1 1 337.387 0.817 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001058580001 774471284 /nfs/dbraw/zinc/47/12/84/774471284.db2.gz CAVULMOEIVRPJP-VNHYZAJKSA-N 1 1 342.447 0.946 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058582681 774475677 /nfs/dbraw/zinc/47/56/77/774475677.db2.gz PISIKHURXRAOAX-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 ZINC001058582840 774475716 /nfs/dbraw/zinc/47/57/16/774475716.db2.gz SVOFJTHKSYCLEI-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001058587722 774484558 /nfs/dbraw/zinc/48/45/58/774484558.db2.gz IMWOJVYGKNEMNU-UMVBOHGHSA-N 1 1 344.419 0.071 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001058587722 774484560 /nfs/dbraw/zinc/48/45/60/774484560.db2.gz IMWOJVYGKNEMNU-UMVBOHGHSA-N 1 1 344.419 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)nc(OC)n2)C1 ZINC001058590258 774492237 /nfs/dbraw/zinc/49/22/37/774492237.db2.gz YBZFHPGDLIIECN-GJZGRUSLSA-N 1 1 343.431 0.586 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)nc(OC)n2)C1 ZINC001058590258 774492239 /nfs/dbraw/zinc/49/22/39/774492239.db2.gz YBZFHPGDLIIECN-GJZGRUSLSA-N 1 1 343.431 0.586 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001058624760 774562248 /nfs/dbraw/zinc/56/22/48/774562248.db2.gz IZPPFXPLDVSIGH-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001058624760 774562251 /nfs/dbraw/zinc/56/22/51/774562251.db2.gz IZPPFXPLDVSIGH-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CCN(c1ccnc(C#N)n1)CC2 ZINC001058627536 774566507 /nfs/dbraw/zinc/56/65/07/774566507.db2.gz VRNKDSHNFZCNEV-KBPBESRZSA-N 1 1 340.431 0.918 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C)no3)C[C@H]2C)nn1 ZINC001044773449 774595496 /nfs/dbraw/zinc/59/54/96/774595496.db2.gz FURZAJPGKRCJBB-DGCLKSJQSA-N 1 1 345.407 0.938 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)c2cnc(C)[nH]2)C1=O ZINC001044963266 774772125 /nfs/dbraw/zinc/77/21/25/774772125.db2.gz ZOJSYEWYHJGZMR-KBPBESRZSA-N 1 1 331.420 0.699 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001044993749 774809650 /nfs/dbraw/zinc/80/96/50/774809650.db2.gz AUPZDVGZNQKVJK-SFHVURJKSA-N 1 1 347.459 0.355 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1)c1nncn1C ZINC001045006263 774829249 /nfs/dbraw/zinc/82/92/49/774829249.db2.gz YJRXJRFZRCGLTN-RISCZKNCSA-N 1 1 327.392 0.970 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001045063615 774919406 /nfs/dbraw/zinc/91/94/06/774919406.db2.gz CXCHJYBBWSVRMY-CABCVRRESA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001045064331 774920946 /nfs/dbraw/zinc/92/09/46/774920946.db2.gz PKJPWEZAHBSFGT-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001045069720 774930411 /nfs/dbraw/zinc/93/04/11/774930411.db2.gz ZZAGIEYAOKLQNP-HUUCEWRRSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1=O ZINC001043870372 775159794 /nfs/dbraw/zinc/15/97/94/775159794.db2.gz SCAAOYNOODKAGR-ZBFHGGJFSA-N 1 1 334.464 0.400 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043909522 775284643 /nfs/dbraw/zinc/28/46/43/775284643.db2.gz JXBASJHMBQAZFN-GXTWGEPZSA-N 1 1 334.420 0.339 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2occc2C)[C@@H](n2ccnn2)C1 ZINC001070021254 790350314 /nfs/dbraw/zinc/35/03/14/790350314.db2.gz PAWJGTBEKQPCTI-CABCVRRESA-N 1 1 327.388 0.787 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001043992746 775474936 /nfs/dbraw/zinc/47/49/36/775474936.db2.gz NCLBCXBBMQLJOL-OAGGEKHMSA-N 1 1 343.431 0.493 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)co2)[C@@H](n2ccnn2)C1 ZINC001070024480 790363355 /nfs/dbraw/zinc/36/33/55/790363355.db2.gz RLSFJHLVWVQUBZ-OLZOCXBDSA-N 1 1 344.375 0.201 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001045462570 775646673 /nfs/dbraw/zinc/64/66/73/775646673.db2.gz KNHFBQUQYMGGJT-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070027392 790377245 /nfs/dbraw/zinc/37/72/45/790377245.db2.gz DCLVCUSMIMLDHV-KGLIPLIRSA-N 1 1 327.392 0.297 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070027392 790377258 /nfs/dbraw/zinc/37/72/58/790377258.db2.gz DCLVCUSMIMLDHV-KGLIPLIRSA-N 1 1 327.392 0.297 20 30 ECEDMO C=CCCC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCOCC1 ZINC001070032536 790395161 /nfs/dbraw/zinc/39/51/61/790395161.db2.gz ZEJFUUUYJXQMIU-CABCVRRESA-N 1 1 337.464 0.932 20 30 ECEDMO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3cnnn3C)CC2)cn1 ZINC001045623500 775911244 /nfs/dbraw/zinc/91/12/44/775911244.db2.gz UGAIVZQQYOYJRH-UHFFFAOYSA-N 1 1 338.415 0.976 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2(C)CCN([C@@H](CC)C(N)=O)CC2)CC1 ZINC001045646621 775961390 /nfs/dbraw/zinc/96/13/90/775961390.db2.gz KZIMWSLKVUAWOY-INIZCTEOSA-N 1 1 348.491 0.566 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001044479252 776342828 /nfs/dbraw/zinc/34/28/28/776342828.db2.gz WUXLKRXRTNVRCL-UONOGXRCSA-N 1 1 337.464 0.618 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079686537 776684244 /nfs/dbraw/zinc/68/42/44/776684244.db2.gz GWXPCFNWRUVQCB-KRWDZBQOSA-N 1 1 325.453 0.715 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079773586 776842064 /nfs/dbraw/zinc/84/20/64/776842064.db2.gz QVCFXZNCOVUCKV-QGZVFWFLSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001079777419 776854887 /nfs/dbraw/zinc/85/48/87/776854887.db2.gz ZEEFESCNXJPTHY-HYVNUMGLSA-N 1 1 349.475 0.814 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001079799266 776892683 /nfs/dbraw/zinc/89/26/83/776892683.db2.gz XZFINQGCAJYRBB-KBRIMQKVSA-N 1 1 340.427 0.973 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001079799266 776892692 /nfs/dbraw/zinc/89/26/92/776892692.db2.gz XZFINQGCAJYRBB-KBRIMQKVSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001079808262 776913455 /nfs/dbraw/zinc/91/34/55/776913455.db2.gz LISFOOSKNMAKLL-UHFFFAOYSA-N 1 1 332.404 0.291 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 ZINC001079827433 776945549 /nfs/dbraw/zinc/94/55/49/776945549.db2.gz BEAZVDNSICIKKD-MGPQQGTHSA-N 1 1 332.452 0.991 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079859878 776989681 /nfs/dbraw/zinc/98/96/81/776989681.db2.gz NOVODDJVCNJGEV-DDUZABMNSA-N 1 1 337.464 0.713 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC001079878012 777010440 /nfs/dbraw/zinc/01/04/40/777010440.db2.gz AXXDITKDKALTRA-OLMNPRSZSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC001079878012 777010443 /nfs/dbraw/zinc/01/04/43/777010443.db2.gz AXXDITKDKALTRA-OLMNPRSZSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1C ZINC001079879327 777012986 /nfs/dbraw/zinc/01/29/86/777012986.db2.gz MTZQJOCLFVBFBI-NXHRZFHOSA-N 1 1 333.476 0.947 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CN(C(=O)C#CC(C)C)C1 ZINC001079899682 777044227 /nfs/dbraw/zinc/04/42/27/777044227.db2.gz IFDRVAXBBWHJFP-DOTOQJQBSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](CCC)OC)C1 ZINC001080008863 777220939 /nfs/dbraw/zinc/22/09/39/777220939.db2.gz GPQFNFNLRQWVKP-IRXDYDNUSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](CCC)OC)C1 ZINC001080008863 777220947 /nfs/dbraw/zinc/22/09/47/777220947.db2.gz GPQFNFNLRQWVKP-IRXDYDNUSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@@H](n2ccnn2)C1 ZINC001070082278 790540542 /nfs/dbraw/zinc/54/05/42/790540542.db2.gz HXECZDMTGYKAOV-KGLIPLIRSA-N 1 1 342.403 0.913 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001080192562 777532502 /nfs/dbraw/zinc/53/25/02/777532502.db2.gz SUHAPJWHDVWNBZ-KRWDZBQOSA-N 1 1 325.453 0.715 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001080206002 777556098 /nfs/dbraw/zinc/55/60/98/777556098.db2.gz BIACBRNGFDMRJN-IIAWOOMASA-N 1 1 330.432 0.997 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3csnn3)C2)C1=O ZINC001080212478 777564519 /nfs/dbraw/zinc/56/45/19/777564519.db2.gz IZNMIBZAVXBGGW-NQBHXWOUSA-N 1 1 335.433 0.375 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3csnn3)C2)C1=O ZINC001080212478 777564527 /nfs/dbraw/zinc/56/45/27/777564527.db2.gz IZNMIBZAVXBGGW-NQBHXWOUSA-N 1 1 335.433 0.375 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261471 777622646 /nfs/dbraw/zinc/62/26/46/777622646.db2.gz OMINECHHQWTBGU-LERXQTSPSA-N 1 1 332.429 0.692 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261471 777622649 /nfs/dbraw/zinc/62/26/49/777622649.db2.gz OMINECHHQWTBGU-LERXQTSPSA-N 1 1 332.429 0.692 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080264094 777628080 /nfs/dbraw/zinc/62/80/80/777628080.db2.gz YROZFDDNEKPHAR-WQVCFCJDSA-N 1 1 341.415 0.518 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O ZINC001080290626 777651464 /nfs/dbraw/zinc/65/14/64/777651464.db2.gz KVMGGGIKJDKKFK-XOKHGSTOSA-N 1 1 340.427 0.973 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O ZINC001080290626 777651472 /nfs/dbraw/zinc/65/14/72/777651472.db2.gz KVMGGGIKJDKKFK-XOKHGSTOSA-N 1 1 340.427 0.973 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080413421 777814308 /nfs/dbraw/zinc/81/43/08/777814308.db2.gz XYIPWYPUEZZJJQ-ZADUAIBHSA-N 1 1 346.431 0.069 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001080437530 777856628 /nfs/dbraw/zinc/85/66/28/777856628.db2.gz SKRCFCGCJVAJIV-LVQVYYBASA-N 1 1 335.448 0.779 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001080449750 777877151 /nfs/dbraw/zinc/87/71/51/777877151.db2.gz YDHXAURAXRSQBJ-ZIAGYGMSSA-N 1 1 330.432 0.597 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1C ZINC001080472158 777905818 /nfs/dbraw/zinc/90/58/18/777905818.db2.gz GYDGPJYFUZZRLU-DZUCGIPZSA-N 1 1 332.448 0.990 20 30 ECEDMO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)CSCC#N)C1 ZINC001080532430 777972626 /nfs/dbraw/zinc/97/26/26/777972626.db2.gz JGDPPQCZTDPRIN-UHFFFAOYSA-N 1 1 326.466 0.644 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001080564355 778049946 /nfs/dbraw/zinc/04/99/46/778049946.db2.gz UBXYQWGVZXINRM-OAHLLOKOSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043264190 778065666 /nfs/dbraw/zinc/06/56/66/778065666.db2.gz OROQZQATOVFERM-ZIAGYGMSSA-N 1 1 337.464 0.618 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001043271816 778078512 /nfs/dbraw/zinc/07/85/12/778078512.db2.gz KUWJTZFJEPOOAI-LSDHHAIUSA-N 1 1 335.448 0.210 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001043272484 778079813 /nfs/dbraw/zinc/07/98/13/778079813.db2.gz SSLXVRWQJSHVSO-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]2C)nn1 ZINC001080589718 778101306 /nfs/dbraw/zinc/10/13/06/778101306.db2.gz HYHORQKLUNEOCY-MGPQQGTHSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]2C)nn1 ZINC001080589718 778101313 /nfs/dbraw/zinc/10/13/13/778101313.db2.gz HYHORQKLUNEOCY-MGPQQGTHSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2C)nn1 ZINC001080589601 778101588 /nfs/dbraw/zinc/10/15/88/778101588.db2.gz BQQJAQCPXGNALB-BZPMIXESSA-N 1 1 334.424 0.168 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]2C)nn1 ZINC001080589601 778101590 /nfs/dbraw/zinc/10/15/90/778101590.db2.gz BQQJAQCPXGNALB-BZPMIXESSA-N 1 1 334.424 0.168 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)C#CC1CC1)O2 ZINC001068572737 790607486 /nfs/dbraw/zinc/60/74/86/790607486.db2.gz KOTNQNDBASRKQE-MRXNPFEDSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001043426818 778308980 /nfs/dbraw/zinc/30/89/80/778308980.db2.gz PDYFMGYOMPWRFL-SJORKVTESA-N 1 1 337.464 0.585 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)O2 ZINC001068575601 790614260 /nfs/dbraw/zinc/61/42/60/790614260.db2.gz PYNMRJCPDHUZES-JKSUJKDBSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001043464750 778380470 /nfs/dbraw/zinc/38/04/70/778380470.db2.gz YQGKUMJCTWGPSD-HIFRSBDPSA-N 1 1 348.447 0.243 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)[C@@H](n2ccnn2)C1 ZINC001070104001 790618732 /nfs/dbraw/zinc/61/87/32/790618732.db2.gz YOOMPWMOLDUSIP-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001043579751 778543398 /nfs/dbraw/zinc/54/33/98/778543398.db2.gz LQZYJPWULNZOSK-BXUZGUMPSA-N 1 1 325.376 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(F)cn2)C1 ZINC001043587419 778549736 /nfs/dbraw/zinc/54/97/36/778549736.db2.gz RWNLYBMFETUHJX-MCIONIFRSA-N 1 1 331.395 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(F)cn2)C1 ZINC001043587419 778549741 /nfs/dbraw/zinc/54/97/41/778549741.db2.gz RWNLYBMFETUHJX-MCIONIFRSA-N 1 1 331.395 0.972 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070109096 790632901 /nfs/dbraw/zinc/63/29/01/790632901.db2.gz FFJLAPAOTBLUBH-XHSDSOJGSA-N 1 1 339.399 0.982 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2COc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070109096 790632905 /nfs/dbraw/zinc/63/29/05/790632905.db2.gz FFJLAPAOTBLUBH-XHSDSOJGSA-N 1 1 339.399 0.982 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001068591327 790654920 /nfs/dbraw/zinc/65/49/20/790654920.db2.gz LXQOJKWFXFUGHJ-MGPQQGTHSA-N 1 1 328.420 0.419 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@@H]21 ZINC001042293641 780009288 /nfs/dbraw/zinc/00/92/88/780009288.db2.gz HQXKXVGHFDLPRV-CABCVRRESA-N 1 1 338.473 0.900 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@@H]21 ZINC001042293641 780009295 /nfs/dbraw/zinc/00/92/95/780009295.db2.gz HQXKXVGHFDLPRV-CABCVRRESA-N 1 1 338.473 0.900 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC001042301786 780022486 /nfs/dbraw/zinc/02/24/86/780022486.db2.gz NPZOUAONAGMGJP-UONOGXRCSA-N 1 1 346.431 0.263 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC001042301433 780022628 /nfs/dbraw/zinc/02/26/28/780022628.db2.gz IBFWCQYONFCFPG-KGLIPLIRSA-N 1 1 346.431 0.263 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CCC2(CN(C(=O)C#CC3CC3)C2)O1 ZINC001068631714 790756596 /nfs/dbraw/zinc/75/65/96/790756596.db2.gz JADVRPMKRHHOLJ-MRXNPFEDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C[C@@H]21 ZINC001042317421 780062233 /nfs/dbraw/zinc/06/22/33/780062233.db2.gz XXOLJWJGNRUDDZ-LRDDRELGSA-N 1 1 337.379 0.740 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N(C)C)[C@@H]3C2)cn1 ZINC001042317905 780064662 /nfs/dbraw/zinc/06/46/62/780064662.db2.gz CQZZKXHECGEDAT-WMLDXEAASA-N 1 1 340.427 0.688 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3nc4nccc(C)n4n3)C[C@@H]21 ZINC001042335434 780092057 /nfs/dbraw/zinc/09/20/57/780092057.db2.gz KKFPAWGVTXYJEB-GJZGRUSLSA-N 1 1 338.415 0.992 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C[C@H]21 ZINC001042352543 780122972 /nfs/dbraw/zinc/12/29/72/780122972.db2.gz ZYJFBTUWNZKBIL-GDBMZVCRSA-N 1 1 328.416 0.898 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@@H]21 ZINC001042358057 780137657 /nfs/dbraw/zinc/13/76/57/780137657.db2.gz NOCJWOONYNRBOI-CABCVRRESA-N 1 1 338.415 0.613 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@@H]1n1ccnn1 ZINC001070154902 790773500 /nfs/dbraw/zinc/77/35/00/790773500.db2.gz CKJBZNXWSIWHPM-MJBXVCDLSA-N 1 1 349.826 0.830 20 30 ECEDMO Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159412 790785696 /nfs/dbraw/zinc/78/56/96/790785696.db2.gz BSQCZRYCCXNQOW-BMFZPTHFSA-N 1 1 339.403 0.683 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070159769 790787058 /nfs/dbraw/zinc/78/70/58/790787058.db2.gz QYAXCJDYLWSVBC-YUELXQCFSA-N 1 1 325.376 0.374 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001070159679 790787285 /nfs/dbraw/zinc/78/72/85/790787285.db2.gz NDOQUJBZWNIHNK-DFBGVHRSSA-N 1 1 343.366 0.514 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001078948900 780643453 /nfs/dbraw/zinc/64/34/53/780643453.db2.gz SKFSCBFAKUWKKY-IRXDYDNUSA-N 1 1 349.475 0.816 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001078948900 780643454 /nfs/dbraw/zinc/64/34/54/780643454.db2.gz SKFSCBFAKUWKKY-IRXDYDNUSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079129758 780789918 /nfs/dbraw/zinc/78/99/18/780789918.db2.gz FIQSOIYGFHWEPA-IPMKNSEASA-N 1 1 341.455 0.788 20 30 ECEDMO CO[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001042776249 780796040 /nfs/dbraw/zinc/79/60/40/780796040.db2.gz IUHBVKZMNZBHDO-RBSFLKMASA-N 1 1 347.394 0.506 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21 ZINC001079227311 780897659 /nfs/dbraw/zinc/89/76/59/780897659.db2.gz MOHUEDSLBBMVLN-ARFHVFGLSA-N 1 1 332.448 0.544 20 30 ECEDMO C#CCC[NH+]1CCC2(CN(C(=O)Cc3ccn[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231556 780907509 /nfs/dbraw/zinc/90/75/09/780907509.db2.gz QCDDHZNKZSWOQY-DLBZAZTESA-N 1 1 342.443 0.915 20 30 ECEDMO CN(c1ccc(C#N)cn1)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001068663796 790834721 /nfs/dbraw/zinc/83/47/21/790834721.db2.gz MIPLLRKZPFWEKE-MRXNPFEDSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(c1ccc(C#N)cn1)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001068663796 790834732 /nfs/dbraw/zinc/83/47/32/790834732.db2.gz MIPLLRKZPFWEKE-MRXNPFEDSA-N 1 1 343.431 0.711 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC3(CCN(CC#N)CC3)[C@H]3COC[C@H]32)C1 ZINC001079273766 780950157 /nfs/dbraw/zinc/95/01/57/780950157.db2.gz PGHUWFZJOOEBEE-HRCADAONSA-N 1 1 332.448 0.401 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001042937728 781067250 /nfs/dbraw/zinc/06/72/50/781067250.db2.gz KFZQNQOCULDOPN-HZPDHXFCSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2csnn2)C1 ZINC001042959790 781100614 /nfs/dbraw/zinc/10/06/14/781100614.db2.gz DLSVCLPXSBRZNY-DOMZBBRYSA-N 1 1 333.461 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2csnn2)C1 ZINC001042959790 781100622 /nfs/dbraw/zinc/10/06/22/781100622.db2.gz DLSVCLPXSBRZNY-DOMZBBRYSA-N 1 1 333.461 0.839 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cccc(OC)n2)C1 ZINC001042960668 781102742 /nfs/dbraw/zinc/10/27/42/781102742.db2.gz RTUZSJDQCNCAET-KRWDZBQOSA-N 1 1 342.443 0.830 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cccc(OC)n2)C1 ZINC001042960668 781102743 /nfs/dbraw/zinc/10/27/43/781102743.db2.gz RTUZSJDQCNCAET-KRWDZBQOSA-N 1 1 342.443 0.830 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)CC[N@H+]1C ZINC001042970850 781119141 /nfs/dbraw/zinc/11/91/41/781119141.db2.gz ZDOYLHRITABTNA-LSDHHAIUSA-N 1 1 349.475 0.456 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001079440764 781122039 /nfs/dbraw/zinc/12/20/39/781122039.db2.gz SQMZBIUNSGJXGB-KBRIMQKVSA-N 1 1 329.400 0.910 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001079440764 781122044 /nfs/dbraw/zinc/12/20/44/781122044.db2.gz SQMZBIUNSGJXGB-KBRIMQKVSA-N 1 1 329.400 0.910 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 ZINC001043023766 781204166 /nfs/dbraw/zinc/20/41/66/781204166.db2.gz QFAJLKQDULVAQV-KBPBESRZSA-N 1 1 336.436 0.098 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001043044050 781236723 /nfs/dbraw/zinc/23/67/23/781236723.db2.gz SKYULOGCJMZPGF-HNNXBMFYSA-N 1 1 335.448 0.208 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043059706 781255475 /nfs/dbraw/zinc/25/54/75/781255475.db2.gz KZIROOKHPIOTBL-HZPDHXFCSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077625783 781375906 /nfs/dbraw/zinc/37/59/06/781375906.db2.gz UIPGGGXHQJKYJG-CQDIZWNASA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077625784 781376636 /nfs/dbraw/zinc/37/66/36/781376636.db2.gz UIPGGGXHQJKYJG-YOFIQYCBSA-N 1 1 335.448 0.827 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001077662834 781453252 /nfs/dbraw/zinc/45/32/52/781453252.db2.gz XHCMTFCYJPJXRN-QZTJIDSGSA-N 1 1 325.412 0.861 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnc4ccccn4c3=O)C2)C1 ZINC001041414794 781458256 /nfs/dbraw/zinc/45/82/56/781458256.db2.gz LNNOXTUIIKZKFK-LJQANCHMSA-N 1 1 336.395 0.866 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3coc(S(N)(=O)=O)c3)C2)C1 ZINC001041416412 781462234 /nfs/dbraw/zinc/46/22/34/781462234.db2.gz XGJJHEXWNFYHSE-HNNXBMFYSA-N 1 1 339.417 0.651 20 30 ECEDMO CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680483 781498974 /nfs/dbraw/zinc/49/89/74/781498974.db2.gz JDKMFTCIQQJPPT-CKEIUWERSA-N 1 1 325.428 0.384 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C2)C1 ZINC001041436088 781509342 /nfs/dbraw/zinc/50/93/42/781509342.db2.gz ASFGKONGCTZIJE-HNNXBMFYSA-N 1 1 337.401 0.098 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC001041442482 781523284 /nfs/dbraw/zinc/52/32/84/781523284.db2.gz KQHFYCCYTAHPMX-SFHVURJKSA-N 1 1 328.416 0.685 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC001041447664 781537144 /nfs/dbraw/zinc/53/71/44/781537144.db2.gz BYULLZHDBMDTAL-GOSISDBHSA-N 1 1 346.431 0.840 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC001041449853 781540632 /nfs/dbraw/zinc/54/06/32/781540632.db2.gz AJDUJSXBRPMCPY-SFHVURJKSA-N 1 1 331.416 0.473 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNc3nccnc3C#N)C2)C1 ZINC001041506989 781656105 /nfs/dbraw/zinc/65/61/05/781656105.db2.gz WFEVWWZLQSORGW-KBPBESRZSA-N 1 1 344.419 0.329 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001077783367 781687055 /nfs/dbraw/zinc/68/70/55/781687055.db2.gz CHDDVECFYWZFRT-HZPDHXFCSA-N 1 1 325.368 0.739 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001077783367 781687056 /nfs/dbraw/zinc/68/70/56/781687056.db2.gz CHDDVECFYWZFRT-HZPDHXFCSA-N 1 1 325.368 0.739 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)nn1 ZINC001077801163 781721816 /nfs/dbraw/zinc/72/18/16/781721816.db2.gz FQIDORWWHWGKKV-SQWLQELKSA-N 1 1 349.435 0.198 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC001077802465 781723134 /nfs/dbraw/zinc/72/31/34/781723134.db2.gz JJWIBDJCWAHFKL-JHJVBQTASA-N 1 1 335.429 0.793 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC001077802465 781723144 /nfs/dbraw/zinc/72/31/44/781723144.db2.gz JJWIBDJCWAHFKL-JHJVBQTASA-N 1 1 335.429 0.793 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC001077802466 781723252 /nfs/dbraw/zinc/72/32/52/781723252.db2.gz JJWIBDJCWAHFKL-UPJWGTAASA-N 1 1 335.429 0.793 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC001077802466 781723258 /nfs/dbraw/zinc/72/32/58/781723258.db2.gz JJWIBDJCWAHFKL-UPJWGTAASA-N 1 1 335.429 0.793 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001077849737 781813841 /nfs/dbraw/zinc/81/38/41/781813841.db2.gz LJOYTYKBGXUZLY-HUUCEWRRSA-N 1 1 327.388 0.823 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001077876657 781853955 /nfs/dbraw/zinc/85/39/55/781853955.db2.gz HMYXKTNXCFOBQB-ARFHVFGLSA-N 1 1 327.384 0.046 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001077876657 781853961 /nfs/dbraw/zinc/85/39/61/781853961.db2.gz HMYXKTNXCFOBQB-ARFHVFGLSA-N 1 1 327.384 0.046 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ccncc2C#N)CCCO1 ZINC001039908244 783258520 /nfs/dbraw/zinc/25/85/20/783258520.db2.gz ULBVFBOMPICIST-WBVHZDCISA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCO)CC1 ZINC001040013977 783408035 /nfs/dbraw/zinc/40/80/35/783408035.db2.gz AYRUPJAUIUKFFM-HDICACEKSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CCC1(C(=O)NC[C@]2(O)CCN(C(=O)C[N@H+](C)C(C)C)C2)CCC1 ZINC001040060743 783466514 /nfs/dbraw/zinc/46/65/14/783466514.db2.gz YFPUECYCXGHMOG-LJQANCHMSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)C[N@H+](C)CCC)CCOCC1 ZINC001070182661 783609391 /nfs/dbraw/zinc/60/93/91/783609391.db2.gz SZLRHIHNPMIHJQ-UHFFFAOYSA-N 1 1 337.464 0.913 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1 ZINC001070227058 783696970 /nfs/dbraw/zinc/69/69/70/783696970.db2.gz JMDMKAYYPZITRV-YPMHNXCESA-N 1 1 335.799 0.419 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@@H]1n1ccnn1 ZINC001070277445 783784172 /nfs/dbraw/zinc/78/41/72/783784172.db2.gz QKFWRMVNPYTBQJ-KGLIPLIRSA-N 1 1 349.826 0.577 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2COCCO2)cc1 ZINC001038059366 783806312 /nfs/dbraw/zinc/80/63/12/783806312.db2.gz UPNPQPCMYVXKBL-DOTOQJQBSA-N 1 1 345.399 0.695 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2COCCO2)cc1 ZINC001038059366 783806318 /nfs/dbraw/zinc/80/63/18/783806318.db2.gz UPNPQPCMYVXKBL-DOTOQJQBSA-N 1 1 345.399 0.695 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@@H]1n1ccnn1 ZINC001070320870 783827615 /nfs/dbraw/zinc/82/76/15/783827615.db2.gz CUGLMGPZGCUPJE-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN2CCCC2)CC1 ZINC001070382745 783920633 /nfs/dbraw/zinc/92/06/33/783920633.db2.gz OZGCDJQWCYJBBA-APWZRJJASA-N 1 1 348.491 0.744 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2nonc2C)C1 ZINC001070388342 783937786 /nfs/dbraw/zinc/93/77/86/783937786.db2.gz DIONXTGZYSBSSH-AWEZNQCLSA-N 1 1 341.371 0.789 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2nonc2C)C1 ZINC001070388342 783937791 /nfs/dbraw/zinc/93/77/91/783937791.db2.gz DIONXTGZYSBSSH-AWEZNQCLSA-N 1 1 341.371 0.789 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001070395025 783954676 /nfs/dbraw/zinc/95/46/76/783954676.db2.gz XZNKHHOAXCJXEU-GFCCVEGCSA-N 1 1 340.387 0.648 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nnn(C)c2C)C1 ZINC001070400748 783969539 /nfs/dbraw/zinc/96/95/39/783969539.db2.gz CXKZKOHFMHFMNV-LBPRGKRZSA-N 1 1 329.408 0.752 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001070411216 784000219 /nfs/dbraw/zinc/00/02/19/784000219.db2.gz HBFZBRCCPIEZRU-KGLIPLIRSA-N 1 1 345.447 0.870 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001070412561 784004939 /nfs/dbraw/zinc/00/49/39/784004939.db2.gz DHAYNDXGWKYJHE-GFCCVEGCSA-N 1 1 342.403 0.409 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnc3n2CCC3)C1 ZINC001070412787 784007361 /nfs/dbraw/zinc/00/73/61/784007361.db2.gz KICXLTUZVHWYJE-CYBMUJFWSA-N 1 1 338.415 0.905 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC2=O)C1 ZINC001070419689 784025727 /nfs/dbraw/zinc/02/57/27/784025727.db2.gz GGMFCTWPMHWEHJ-JSGCOSHPSA-N 1 1 331.420 0.527 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001070419857 784026434 /nfs/dbraw/zinc/02/64/34/784026434.db2.gz KDKMNAVKZCTCOE-TZMCWYRMSA-N 1 1 331.420 0.527 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001070420103 784027268 /nfs/dbraw/zinc/02/72/68/784027268.db2.gz PWQOWPCNHUQJPK-LBPRGKRZSA-N 1 1 342.403 0.591 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001070422713 784034368 /nfs/dbraw/zinc/03/43/68/784034368.db2.gz GTAQRGBEHFZHMH-LBPRGKRZSA-N 1 1 340.387 0.236 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc3nncn3c2)C1 ZINC001070428318 784045349 /nfs/dbraw/zinc/04/53/49/784045349.db2.gz RWQXCXSCNVMXKV-CYBMUJFWSA-N 1 1 349.398 0.805 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001070432697 784058770 /nfs/dbraw/zinc/05/87/70/784058770.db2.gz NXLCKBJFEJWLDW-ZBFHGGJFSA-N 1 1 343.431 0.459 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440455 784077614 /nfs/dbraw/zinc/07/76/14/784077614.db2.gz GFDOXCOVWJZUIX-LSDHHAIUSA-N 1 1 345.447 0.954 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070440450 784077874 /nfs/dbraw/zinc/07/78/74/784077874.db2.gz GFDOXCOVWJZUIX-GJZGRUSLSA-N 1 1 345.447 0.954 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)Cn1cccn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070440497 784078177 /nfs/dbraw/zinc/07/81/77/784078177.db2.gz HCTHOUUDJSNGLQ-AWEZNQCLSA-N 1 1 341.419 0.424 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ncccn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070450620 784110563 /nfs/dbraw/zinc/11/05/63/784110563.db2.gz LYKMUGGDOGHOER-ZDUSSCGKSA-N 1 1 339.403 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@H](C)COC)C1 ZINC001070921863 784120424 /nfs/dbraw/zinc/12/04/24/784120424.db2.gz QVQBMSRELDEUJY-BBWFWOEESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@H](C)COC)C1 ZINC001070921863 784120428 /nfs/dbraw/zinc/12/04/28/784120428.db2.gz QVQBMSRELDEUJY-BBWFWOEESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@H](C)OC)C1 ZINC001070921876 784120477 /nfs/dbraw/zinc/12/04/77/784120477.db2.gz RHJWCNHHMOTIIQ-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@H](C)OC)C1 ZINC001070921876 784120482 /nfs/dbraw/zinc/12/04/82/784120482.db2.gz RHJWCNHHMOTIIQ-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1cn(C)cn1 ZINC001070468681 784145837 /nfs/dbraw/zinc/14/58/37/784145837.db2.gz LADBYCKHVVOBIL-DZGCQCFKSA-N 1 1 348.838 0.953 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cn(C)cn1 ZINC001070489025 784180957 /nfs/dbraw/zinc/18/09/57/784180957.db2.gz NKZKLCHHFXACHX-WCQYABFASA-N 1 1 349.826 0.499 20 30 ECEDMO Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]Cc2ccon2)c1 ZINC001070492246 784185381 /nfs/dbraw/zinc/18/53/81/784185381.db2.gz UIYIMLHPJQWLJC-DOTOQJQBSA-N 1 1 339.399 0.906 20 30 ECEDMO C=C(Cl)CN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070945869 784187924 /nfs/dbraw/zinc/18/79/24/784187924.db2.gz CYLOHAMZVQJAON-AWEZNQCLSA-N 1 1 342.871 0.484 20 30 ECEDMO Cn1cnc([C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2NCC#N)c1 ZINC001070500698 784197252 /nfs/dbraw/zinc/19/72/52/784197252.db2.gz CGIJYJYSDRKTDO-GOEBONIOSA-N 1 1 330.436 0.312 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC(=O)NCC[N@@H+](CCCF)CC2)c1 ZINC001070951840 784207310 /nfs/dbraw/zinc/20/73/10/784207310.db2.gz ZOKMTTRTGOCFOT-UHFFFAOYSA-N 1 1 335.383 0.510 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC(=O)NCC[N@H+](CCCF)CC2)c1 ZINC001070951840 784207314 /nfs/dbraw/zinc/20/73/14/784207314.db2.gz ZOKMTTRTGOCFOT-UHFFFAOYSA-N 1 1 335.383 0.510 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccnn2C)CC1 ZINC001070958865 784230290 /nfs/dbraw/zinc/23/02/90/784230290.db2.gz XDKDCPVOLCBGPS-UHFFFAOYSA-N 1 1 333.436 0.189 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC001070964694 784249939 /nfs/dbraw/zinc/24/99/39/784249939.db2.gz UZAHIBHKQGZBFH-WMZOPIPTSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC001070964694 784249947 /nfs/dbraw/zinc/24/99/47/784249947.db2.gz UZAHIBHKQGZBFH-WMZOPIPTSA-N 1 1 349.475 0.721 20 30 ECEDMO N#CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001070972792 784279860 /nfs/dbraw/zinc/27/98/60/784279860.db2.gz MEWPDRJWAQJVOL-JKSUJKDBSA-N 1 1 347.463 0.177 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001070972675 784280239 /nfs/dbraw/zinc/28/02/39/784280239.db2.gz FVORIAPZYQWRFY-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001070995047 784352866 /nfs/dbraw/zinc/35/28/66/784352866.db2.gz OUHBBLVFSSLQAG-KRWDZBQOSA-N 1 1 325.453 0.622 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001070995047 784352873 /nfs/dbraw/zinc/35/28/73/784352873.db2.gz OUHBBLVFSSLQAG-KRWDZBQOSA-N 1 1 325.453 0.622 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070585596 784362191 /nfs/dbraw/zinc/36/21/91/784362191.db2.gz GUTCCPSOGVJSIJ-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070585596 784362209 /nfs/dbraw/zinc/36/22/09/784362209.db2.gz GUTCCPSOGVJSIJ-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)C1 ZINC001070585605 784362221 /nfs/dbraw/zinc/36/22/21/784362221.db2.gz GYZHJCURHMWBOS-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)C1 ZINC001070585605 784362226 /nfs/dbraw/zinc/36/22/26/784362226.db2.gz GYZHJCURHMWBOS-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCCF)CC1 ZINC001071001160 784373939 /nfs/dbraw/zinc/37/39/39/784373939.db2.gz IUESDWIBAJMNIX-CABCVRRESA-N 1 1 341.427 0.588 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CCCF)CC1 ZINC001071001160 784373951 /nfs/dbraw/zinc/37/39/51/784373951.db2.gz IUESDWIBAJMNIX-CABCVRRESA-N 1 1 341.427 0.588 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CC(C)C)CC1 ZINC001071001381 784375178 /nfs/dbraw/zinc/37/51/78/784375178.db2.gz VNXZBMZBCJURIF-CVEARBPZSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)[nH]c2C)CC1 ZINC001071005636 784385589 /nfs/dbraw/zinc/38/55/89/784385589.db2.gz BIHXICYQZLFKSJ-UHFFFAOYSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)[nH]c2C)CC1 ZINC001071005636 784385597 /nfs/dbraw/zinc/38/55/97/784385597.db2.gz BIHXICYQZLFKSJ-UHFFFAOYSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2c[nH]nc2C)n1 ZINC001070597878 784409246 /nfs/dbraw/zinc/40/92/46/784409246.db2.gz ACQVQZHPUMZIOC-KBPBESRZSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]c2C)n1 ZINC001070597878 784409262 /nfs/dbraw/zinc/40/92/62/784409262.db2.gz ACQVQZHPUMZIOC-KBPBESRZSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]c2C)n1 ZINC001070597878 784409267 /nfs/dbraw/zinc/40/92/67/784409267.db2.gz ACQVQZHPUMZIOC-KBPBESRZSA-N 1 1 342.403 0.889 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001071017113 784428217 /nfs/dbraw/zinc/42/82/17/784428217.db2.gz GUKAWBVBTIVHLT-UHFFFAOYSA-N 1 1 333.436 0.487 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001071017113 784428220 /nfs/dbraw/zinc/42/82/20/784428220.db2.gz GUKAWBVBTIVHLT-UHFFFAOYSA-N 1 1 333.436 0.487 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nonc2C)n1 ZINC001070606036 784428477 /nfs/dbraw/zinc/42/84/77/784428477.db2.gz ICQCAJNXGUKTRW-QWHCGFSZSA-N 1 1 344.375 0.549 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001071109707 784546982 /nfs/dbraw/zinc/54/69/82/784546982.db2.gz VHUJUPNBVSBKGO-RVKKMQEKSA-N 1 1 337.464 0.905 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nnc[nH]1)C[C@@H](C)O2 ZINC001071152065 784612946 /nfs/dbraw/zinc/61/29/46/784612946.db2.gz RFIWFBOMLMCKRR-RHSMWYFYSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@@H](C)O2 ZINC001071152065 784612950 /nfs/dbraw/zinc/61/29/50/784612950.db2.gz RFIWFBOMLMCKRR-RHSMWYFYSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@@H](C)O2 ZINC001071152065 784612956 /nfs/dbraw/zinc/61/29/56/784612956.db2.gz RFIWFBOMLMCKRR-RHSMWYFYSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001070731579 784621635 /nfs/dbraw/zinc/62/16/35/784621635.db2.gz FCWWWSKNALOZKP-DZGCQCFKSA-N 1 1 332.404 0.337 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@@H](C)O2 ZINC001071159484 784625541 /nfs/dbraw/zinc/62/55/41/784625541.db2.gz MOBMSRSJUICVPT-RDTXWAMCSA-N 1 1 333.432 0.180 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@@H](C)O2 ZINC001071159709 784627546 /nfs/dbraw/zinc/62/75/46/784627546.db2.gz PXGURVFSJPFFFM-CXAGYDPISA-N 1 1 335.404 0.860 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CN=NC1=O)C[C@H](C)O2 ZINC001071159940 784628596 /nfs/dbraw/zinc/62/85/96/784628596.db2.gz UMPHSLUYDZTZTR-XJKSGUPXSA-N 1 1 335.408 0.252 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccnn1C)C[C@@H](C)O2 ZINC001071164171 784636404 /nfs/dbraw/zinc/63/64/04/784636404.db2.gz IGTPBAREAGNCQZ-QAPCUYQASA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)C[C@H](C)O2 ZINC001071173464 784659188 /nfs/dbraw/zinc/65/91/88/784659188.db2.gz IZFXPQPXBKVOSX-SJCJKPOMSA-N 1 1 340.387 0.292 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)C[C@H](C)O2 ZINC001071173464 784659194 /nfs/dbraw/zinc/65/91/94/784659194.db2.gz IZFXPQPXBKVOSX-SJCJKPOMSA-N 1 1 340.387 0.292 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)C[C@@H](C)O2 ZINC001071174283 784661769 /nfs/dbraw/zinc/66/17/69/784661769.db2.gz VYPVZNWWVXUAAC-PXAZEXFGSA-N 1 1 342.403 0.844 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc3ccnn31)C[C@@H](C)O2 ZINC001071175467 784663481 /nfs/dbraw/zinc/66/34/81/784663481.db2.gz FCYHGOHLBSQLEF-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@]2(CCN(CC#N)C2)O1 ZINC001071183565 784683469 /nfs/dbraw/zinc/68/34/69/784683469.db2.gz QBVVMRXVDLEBBG-DYVFJYSZSA-N 1 1 347.419 0.565 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@@H](C)O2 ZINC001071190272 784697105 /nfs/dbraw/zinc/69/71/05/784697105.db2.gz WOBAHQYGSXKPCU-KDOFPFPSSA-N 1 1 346.431 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@@H](C)O2 ZINC001071191060 784700427 /nfs/dbraw/zinc/70/04/27/784700427.db2.gz AARVAACYUQREKD-RDTXWAMCSA-N 1 1 344.415 0.109 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 ZINC001071196810 784713982 /nfs/dbraw/zinc/71/39/82/784713982.db2.gz IRXRNCSNOILQJM-BBRMVZONSA-N 1 1 334.424 0.482 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@H](C)O2 ZINC001071203993 784729341 /nfs/dbraw/zinc/72/93/41/784729341.db2.gz LDMSPQWVQRJPHG-YOEHRIQHSA-N 1 1 334.420 0.677 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@@H](C)O2 ZINC001071204626 784730419 /nfs/dbraw/zinc/73/04/19/784730419.db2.gz PVGUIUCSTUFMLS-RHSMWYFYSA-N 1 1 332.404 0.124 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@@H](C)O2 ZINC001071209460 784740446 /nfs/dbraw/zinc/74/04/46/784740446.db2.gz KNTLIPCCXICEBV-CRAIPNDOSA-N 1 1 345.447 0.463 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CCO)C3)C2)c1 ZINC001071211707 784748001 /nfs/dbraw/zinc/74/80/01/784748001.db2.gz MOXDDHJXVUIBLM-KBXCAEBGSA-N 1 1 329.400 0.361 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn[nH]n1)C[C@H](C)O2 ZINC001071212418 784749526 /nfs/dbraw/zinc/74/95/26/784749526.db2.gz XHHXNTHOYCHIPJ-YOEHRIQHSA-N 1 1 331.420 0.452 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@H](C)O2 ZINC001071212418 784749535 /nfs/dbraw/zinc/74/95/35/784749535.db2.gz XHHXNTHOYCHIPJ-YOEHRIQHSA-N 1 1 331.420 0.452 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@H](C)O2 ZINC001071212418 784749538 /nfs/dbraw/zinc/74/95/38/784749538.db2.gz XHHXNTHOYCHIPJ-YOEHRIQHSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nn(C)c1OC)C[C@@H](C)O2 ZINC001071216403 784757409 /nfs/dbraw/zinc/75/74/09/784757409.db2.gz PVBXWLQOFLYYEH-FZKQIMNGSA-N 1 1 346.431 0.676 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nn(C)c1OC)C[C@@H](C)O2 ZINC001071216403 784757417 /nfs/dbraw/zinc/75/74/17/784757417.db2.gz PVBXWLQOFLYYEH-FZKQIMNGSA-N 1 1 346.431 0.676 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1ncccn1)C[C@@H](C)O2 ZINC001071220136 784767607 /nfs/dbraw/zinc/76/76/07/784767607.db2.gz DKEGNQDRSGZOPO-CRAIPNDOSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@@H](C)O2 ZINC001071225793 784782269 /nfs/dbraw/zinc/78/22/69/784782269.db2.gz PTFNGVRJAOSSJV-SJKOYZFVSA-N 1 1 330.388 0.052 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC)nn1)C[C@H](C)O2 ZINC001071226034 784783031 /nfs/dbraw/zinc/78/30/31/784783031.db2.gz UHUUKLHWVVMJSX-YOEHRIQHSA-N 1 1 331.420 0.627 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@H](C)O2 ZINC001071226250 784784942 /nfs/dbraw/zinc/78/49/42/784784942.db2.gz WZFDXFVHHYEEQJ-UGSOOPFHSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)C[C@@H](C)O2 ZINC001071227200 784785589 /nfs/dbraw/zinc/78/55/89/784785589.db2.gz ATXFTBWPWKQFCK-KUHUBIRLSA-N 1 1 342.443 0.847 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nn(C)c1F)C[C@H](C)O2 ZINC001071234257 784799006 /nfs/dbraw/zinc/79/90/06/784799006.db2.gz VYAKBYZEWWLDML-SJCJKPOMSA-N 1 1 334.395 0.806 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nn(C)c1F)C[C@H](C)O2 ZINC001071234257 784799014 /nfs/dbraw/zinc/79/90/14/784799014.db2.gz VYAKBYZEWWLDML-SJCJKPOMSA-N 1 1 334.395 0.806 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COC)C1 ZINC001070899316 784806252 /nfs/dbraw/zinc/80/62/52/784806252.db2.gz UCIMZJZSZXBWEK-ZNMIVQPWSA-N 1 1 337.420 0.705 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070901199 784809195 /nfs/dbraw/zinc/80/91/95/784809195.db2.gz OCJLSDURPCMBLG-CABCVRRESA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070901199 784809198 /nfs/dbraw/zinc/80/91/98/784809198.db2.gz OCJLSDURPCMBLG-CABCVRRESA-N 1 1 339.436 0.017 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@@H](C)O2 ZINC001071241178 784814762 /nfs/dbraw/zinc/81/47/62/784814762.db2.gz PQFZKYZHBPHZOJ-FZKQIMNGSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@H](C)O2 ZINC001071244567 784823923 /nfs/dbraw/zinc/82/39/23/784823923.db2.gz WZVDBMJFOAYYPQ-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)C[C@@H](C)O2 ZINC001071245451 784825106 /nfs/dbraw/zinc/82/51/06/784825106.db2.gz CTTYYPZGJICLNH-FZKQIMNGSA-N 1 1 344.415 0.672 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1Cc1ccccc1C#N ZINC001071339792 784977041 /nfs/dbraw/zinc/97/70/41/784977041.db2.gz FDLIQKQCCZHIPT-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1ccccc1C#N ZINC001071339792 784977046 /nfs/dbraw/zinc/97/70/46/784977046.db2.gz FDLIQKQCCZHIPT-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001068757174 791079073 /nfs/dbraw/zinc/07/90/73/791079073.db2.gz OGRPZXPUFZPFEG-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CCN1CCNC1=O ZINC001071414653 785063466 /nfs/dbraw/zinc/06/34/66/785063466.db2.gz VFDWGQMSBULGBO-GXTWGEPZSA-N 1 1 344.419 0.494 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCn3cncn3)C2)c1 ZINC001071813946 785145264 /nfs/dbraw/zinc/14/52/64/785145264.db2.gz FZAIGTPEMWKLMI-YOEHRIQHSA-N 1 1 338.415 0.937 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001071875306 785254330 /nfs/dbraw/zinc/25/43/30/785254330.db2.gz UCHNUEPTKNCHHB-WFASDCNBSA-N 1 1 331.420 0.805 20 30 ECEDMO C#CCCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001071928294 785349889 /nfs/dbraw/zinc/34/98/89/785349889.db2.gz AOXNEXSJZRFJQV-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC[C@@H]1C ZINC001071930388 785353993 /nfs/dbraw/zinc/35/39/93/785353993.db2.gz DHRNVHDEGNUTBN-GOEBONIOSA-N 1 1 330.432 0.853 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC[C@@H]1C ZINC001071631517 785419635 /nfs/dbraw/zinc/41/96/35/785419635.db2.gz NWKFEFHSIWQFRD-QWHCGFSZSA-N 1 1 328.376 0.535 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC[C@@H]1C ZINC001071631569 785420496 /nfs/dbraw/zinc/42/04/96/785420496.db2.gz OIRKZSKMWQGSTP-UONOGXRCSA-N 1 1 342.403 0.926 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)CC[C@H]1C ZINC001071642451 785436815 /nfs/dbraw/zinc/43/68/15/785436815.db2.gz QNIJEDGGAJZCBW-GDBMZVCRSA-N 1 1 331.416 0.711 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@H]1C ZINC001071645006 785440927 /nfs/dbraw/zinc/44/09/27/785440927.db2.gz FXJMJCGXOWSRAO-VXGBXAGGSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@H]1C ZINC001071645006 785440931 /nfs/dbraw/zinc/44/09/31/785440931.db2.gz FXJMJCGXOWSRAO-VXGBXAGGSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@@H]1C ZINC001071667103 785485157 /nfs/dbraw/zinc/48/51/57/785485157.db2.gz UEEQIXKOJQYKBX-LSDHHAIUSA-N 1 1 346.431 0.496 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC[C@@H]1C ZINC001071989537 785486970 /nfs/dbraw/zinc/48/69/70/785486970.db2.gz QFFDZZPVYNZKDW-QWRGUYRKSA-N 1 1 334.376 0.502 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC[C@H]1C ZINC001071990424 785489663 /nfs/dbraw/zinc/48/96/63/785489663.db2.gz ZVWWSEWOUZFZQU-MNOVXSKESA-N 1 1 334.376 0.502 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@H]1C ZINC001071700966 785554711 /nfs/dbraw/zinc/55/47/11/785554711.db2.gz AETBESJCHHLICX-KGLIPLIRSA-N 1 1 339.403 0.663 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cc2nc3ncccn3n2)CC[C@H]1C ZINC001072072746 785621780 /nfs/dbraw/zinc/62/17/80/785621780.db2.gz OQHPAHBPRHUBCW-ZIAGYGMSSA-N 1 1 326.404 0.659 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C2)nn1 ZINC001072126702 785709266 /nfs/dbraw/zinc/70/92/66/785709266.db2.gz VTLGDJLIGBIEEU-ZIAGYGMSSA-N 1 1 348.451 0.383 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N(Cc2cn(C)c(=O)n(C)c2=O)C(C)=O)C1 ZINC001072134703 785723604 /nfs/dbraw/zinc/72/36/04/785723604.db2.gz XZCGXVBHEHONOO-INIZCTEOSA-N 1 1 348.447 0.473 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)CC1 ZINC001072275954 785948800 /nfs/dbraw/zinc/94/88/00/785948800.db2.gz PUWOCYDKWSQANJ-NVXWUHKLSA-N 1 1 348.491 0.246 20 30 ECEDMO C=CCCOCC(=O)N[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001072401300 786139064 /nfs/dbraw/zinc/13/90/64/786139064.db2.gz LBJCHUOSTAQWBC-ZFWWWQNUSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cnccn4)C3)C2)C1=O ZINC001072414107 786150977 /nfs/dbraw/zinc/15/09/77/786150977.db2.gz QFTQPXZHUQATNP-HNNXBMFYSA-N 1 1 341.415 0.411 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](C)C2)cn1 ZINC001072467407 786225268 /nfs/dbraw/zinc/22/52/68/786225268.db2.gz HINZETVDPJHNDV-YOEHRIQHSA-N 1 1 342.443 0.981 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4CCC(=O)N4)C3)C2)cc1 ZINC001072547550 786351229 /nfs/dbraw/zinc/35/12/29/786351229.db2.gz DFRHADVQUBTFMY-MRXNPFEDSA-N 1 1 338.411 0.871 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@@H]21 ZINC001074279628 786576278 /nfs/dbraw/zinc/57/62/78/786576278.db2.gz OPCNPAQQUSNWSK-JKSUJKDBSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@@H]21 ZINC001074279628 786576283 /nfs/dbraw/zinc/57/62/83/786576283.db2.gz OPCNPAQQUSNWSK-JKSUJKDBSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@@H]21 ZINC001074294442 786615094 /nfs/dbraw/zinc/61/50/94/786615094.db2.gz NLBFHXJXQRTRFY-UONOGXRCSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@@H]21 ZINC001074294442 786615104 /nfs/dbraw/zinc/61/51/04/786615104.db2.gz NLBFHXJXQRTRFY-UONOGXRCSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 ZINC001074302773 786635084 /nfs/dbraw/zinc/63/50/84/786635084.db2.gz XELFQLKXXFCZTQ-JKSUJKDBSA-N 1 1 333.436 0.718 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 ZINC001074302773 786635094 /nfs/dbraw/zinc/63/50/94/786635094.db2.gz XELFQLKXXFCZTQ-JKSUJKDBSA-N 1 1 333.436 0.718 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001073579874 786672365 /nfs/dbraw/zinc/67/23/65/786672365.db2.gz DSOUELRUATXAPC-KRWDZBQOSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074341740 786713387 /nfs/dbraw/zinc/71/33/87/786713387.db2.gz XADHWVMDXYXNBH-CABCVRRESA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074341740 786713392 /nfs/dbraw/zinc/71/33/92/786713392.db2.gz XADHWVMDXYXNBH-CABCVRRESA-N 1 1 332.404 0.605 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001073626840 786801816 /nfs/dbraw/zinc/80/18/16/786801816.db2.gz UMWFVVCRDAIZJJ-MRXNPFEDSA-N 1 1 345.399 0.005 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001073626840 786801822 /nfs/dbraw/zinc/80/18/22/786801822.db2.gz UMWFVVCRDAIZJJ-MRXNPFEDSA-N 1 1 345.399 0.005 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3nccn32)C1 ZINC001073634205 786827468 /nfs/dbraw/zinc/82/74/68/786827468.db2.gz OIGZUTZCPUSEHO-HZPDHXFCSA-N 1 1 330.432 0.991 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001073636951 786835611 /nfs/dbraw/zinc/83/56/11/786835611.db2.gz LTFLUQDWFYQKBD-AWEZNQCLSA-N 1 1 343.383 0.471 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001073636951 786835621 /nfs/dbraw/zinc/83/56/21/786835621.db2.gz LTFLUQDWFYQKBD-AWEZNQCLSA-N 1 1 343.383 0.471 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001073637460 786839293 /nfs/dbraw/zinc/83/92/93/786839293.db2.gz ZTORANJRIJRAGJ-ZDUSSCGKSA-N 1 1 343.383 0.471 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001073637460 786839302 /nfs/dbraw/zinc/83/93/02/786839302.db2.gz ZTORANJRIJRAGJ-ZDUSSCGKSA-N 1 1 343.383 0.471 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001073660563 786902720 /nfs/dbraw/zinc/90/27/20/786902720.db2.gz IPJXJHQBNVWHEZ-SJORKVTESA-N 1 1 344.459 0.984 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3ccccn3c2=O)C1 ZINC001073661141 786905495 /nfs/dbraw/zinc/90/54/95/786905495.db2.gz WTNZOZRMWHAGPO-CQSZACIVSA-N 1 1 340.383 0.148 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3ccccn3c2=O)C1 ZINC001073661141 786905501 /nfs/dbraw/zinc/90/55/01/786905501.db2.gz WTNZOZRMWHAGPO-CQSZACIVSA-N 1 1 340.383 0.148 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001073662400 786908469 /nfs/dbraw/zinc/90/84/69/786908469.db2.gz KXKKNTYMTNMARL-CYBMUJFWSA-N 1 1 348.403 0.338 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001073684448 786967027 /nfs/dbraw/zinc/96/70/27/786967027.db2.gz QSPCOFXZTDCKNL-SFHVURJKSA-N 1 1 343.427 0.777 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001073684448 786967032 /nfs/dbraw/zinc/96/70/32/786967032.db2.gz QSPCOFXZTDCKNL-SFHVURJKSA-N 1 1 343.427 0.777 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001073686941 786969049 /nfs/dbraw/zinc/96/90/49/786969049.db2.gz FJXYFCYMNUUSFT-CABCVRRESA-N 1 1 338.452 0.560 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001073697111 786992983 /nfs/dbraw/zinc/99/29/83/786992983.db2.gz ZJNPKNHNDQYCIP-CQSZACIVSA-N 1 1 344.419 0.760 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001073703308 787006642 /nfs/dbraw/zinc/00/66/42/787006642.db2.gz LCYVFUNCQDEFRT-GJZGRUSLSA-N 1 1 347.419 0.149 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001073712542 787025679 /nfs/dbraw/zinc/02/56/79/787025679.db2.gz FGVKZEFHBCQPHL-GJZGRUSLSA-N 1 1 348.447 0.931 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001073712493 787026179 /nfs/dbraw/zinc/02/61/79/787026179.db2.gz CWLCVNIYFZREMJ-LUKYLMHMSA-N 1 1 338.448 0.821 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001073745619 787109867 /nfs/dbraw/zinc/10/98/67/787109867.db2.gz CVFBMBVNEXEPON-ZIAGYGMSSA-N 1 1 333.436 0.313 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001073748559 787121912 /nfs/dbraw/zinc/12/19/12/787121912.db2.gz GYQGQHLHMNBPHG-WMZOPIPTSA-N 1 1 344.459 0.984 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001073749439 787124784 /nfs/dbraw/zinc/12/47/84/787124784.db2.gz ZGRJKHLHMLCFIN-KGLIPLIRSA-N 1 1 331.420 0.455 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001073749439 787124790 /nfs/dbraw/zinc/12/47/90/787124790.db2.gz ZGRJKHLHMLCFIN-KGLIPLIRSA-N 1 1 331.420 0.455 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001073749439 787124794 /nfs/dbraw/zinc/12/47/94/787124794.db2.gz ZGRJKHLHMLCFIN-KGLIPLIRSA-N 1 1 331.420 0.455 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@H+]([C@@H](CC)C(N)=O)CCCO2)c1 ZINC001073763005 787152385 /nfs/dbraw/zinc/15/23/85/787152385.db2.gz SQHMZTNWZBUWDF-HOTGVXAUSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)CCCO2)c1 ZINC001073763005 787152387 /nfs/dbraw/zinc/15/23/87/787152387.db2.gz SQHMZTNWZBUWDF-HOTGVXAUSA-N 1 1 344.415 0.148 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001074519841 787158758 /nfs/dbraw/zinc/15/87/58/787158758.db2.gz MFIWQIJGZYZHSP-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001073769743 787169423 /nfs/dbraw/zinc/16/94/23/787169423.db2.gz PFJJFZWWMRQYSD-CQSZACIVSA-N 1 1 333.436 0.877 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001073769743 787169429 /nfs/dbraw/zinc/16/94/29/787169429.db2.gz PFJJFZWWMRQYSD-CQSZACIVSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCN1CCCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816161 787251816 /nfs/dbraw/zinc/25/18/16/787251816.db2.gz WGNBXVGTMQPGGJ-INIZCTEOSA-N 1 1 335.452 0.451 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001074565927 787272963 /nfs/dbraw/zinc/27/29/63/787272963.db2.gz ZFHVLHWJJRIIBB-CVEARBPZSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001073823773 787274112 /nfs/dbraw/zinc/27/41/12/787274112.db2.gz KEONGJIPTJDNKP-HNNXBMFYSA-N 1 1 330.388 0.494 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001073823773 787274118 /nfs/dbraw/zinc/27/41/18/787274118.db2.gz KEONGJIPTJDNKP-HNNXBMFYSA-N 1 1 330.388 0.494 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001073837830 787318664 /nfs/dbraw/zinc/31/86/64/787318664.db2.gz VJECXALFCDTOLD-KGLIPLIRSA-N 1 1 330.432 0.988 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001073837830 787318677 /nfs/dbraw/zinc/31/86/77/787318677.db2.gz VJECXALFCDTOLD-KGLIPLIRSA-N 1 1 330.432 0.988 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001074582107 787322243 /nfs/dbraw/zinc/32/22/43/787322243.db2.gz HWZSASMMNAORBT-OAHLLOKOSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001073848197 787349302 /nfs/dbraw/zinc/34/93/02/787349302.db2.gz SCSBTLGKTQHZNR-HUUCEWRRSA-N 1 1 349.435 0.636 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074593483 787350144 /nfs/dbraw/zinc/35/01/44/787350144.db2.gz UGYYUOXKBMRKNY-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c3c(nn2C)CCC3)C1 ZINC001073853918 787367654 /nfs/dbraw/zinc/36/76/54/787367654.db2.gz RVKQKJVAJJEYCD-CQSZACIVSA-N 1 1 330.432 0.753 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001073874063 787417388 /nfs/dbraw/zinc/41/73/88/787417388.db2.gz RBQKNQNVGGTJFW-LBPRGKRZSA-N 1 1 343.387 0.737 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001073877196 787421889 /nfs/dbraw/zinc/42/18/89/787421889.db2.gz XVYFAIKRMBURDR-AWEZNQCLSA-N 1 1 344.419 0.830 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001073886464 787437849 /nfs/dbraw/zinc/43/78/49/787437849.db2.gz PFQYYDPIFGTLHR-AWEZNQCLSA-N 1 1 327.388 0.802 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001073891907 787452963 /nfs/dbraw/zinc/45/29/63/787452963.db2.gz VOGXUWFRMJTDKI-HNNXBMFYSA-N 1 1 341.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001073891907 787452968 /nfs/dbraw/zinc/45/29/68/787452968.db2.gz VOGXUWFRMJTDKI-HNNXBMFYSA-N 1 1 341.415 0.800 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001073893336 787458209 /nfs/dbraw/zinc/45/82/09/787458209.db2.gz QZSHKUINSXVJRW-KRWDZBQOSA-N 1 1 343.427 0.890 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001073901890 787483068 /nfs/dbraw/zinc/48/30/68/787483068.db2.gz IXJFEFFMLPIUSJ-CYBMUJFWSA-N 1 1 329.356 0.987 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001073901890 787483073 /nfs/dbraw/zinc/48/30/73/787483073.db2.gz IXJFEFFMLPIUSJ-CYBMUJFWSA-N 1 1 329.356 0.987 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001073904995 787488315 /nfs/dbraw/zinc/48/83/15/787488315.db2.gz RUNVJCUNUIVKIQ-MRXNPFEDSA-N 1 1 344.415 0.892 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001073904995 787488319 /nfs/dbraw/zinc/48/83/19/787488319.db2.gz RUNVJCUNUIVKIQ-MRXNPFEDSA-N 1 1 344.415 0.892 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001073906419 787492470 /nfs/dbraw/zinc/49/24/70/787492470.db2.gz XDQHKDWQLDRNDI-ZDUSSCGKSA-N 1 1 330.388 0.025 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001074730977 787719603 /nfs/dbraw/zinc/71/96/03/787719603.db2.gz CFIJZFMQEYKYKF-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001074731486 787723245 /nfs/dbraw/zinc/72/32/45/787723245.db2.gz SLHQZYDRJAQRRW-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCCNC2=O)C3)c1 ZINC001072592339 788386083 /nfs/dbraw/zinc/38/60/83/788386083.db2.gz AHKSDNMORSRBGM-CQSZACIVSA-N 1 1 327.388 0.313 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)CC(C)(C)O)C3)C2)C1=O ZINC001072678451 788575702 /nfs/dbraw/zinc/57/57/02/788575702.db2.gz JMJFHNSXVJLLNJ-CQSZACIVSA-N 1 1 335.448 0.469 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC001072732500 788663995 /nfs/dbraw/zinc/66/39/95/788663995.db2.gz MRZZDCORAUCRBI-CQSZACIVSA-N 1 1 343.431 0.873 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)COc3c(C)nn(C)c3C)C2)C1 ZINC001072735830 788670738 /nfs/dbraw/zinc/67/07/38/788670738.db2.gz SIEIKQONXGRIKV-UHFFFAOYSA-N 1 1 330.432 0.973 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001074993567 788684573 /nfs/dbraw/zinc/68/45/73/788684573.db2.gz RDQFZIRAOJKVFI-GOEBONIOSA-N 1 1 346.431 0.727 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)CCc3c(C)nc(=O)[nH]c3C)C2)C1 ZINC001072813195 788866189 /nfs/dbraw/zinc/86/61/89/788866189.db2.gz IFFLYTJJBNMUQI-UHFFFAOYSA-N 1 1 328.416 0.899 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073027471 789300126 /nfs/dbraw/zinc/30/01/26/789300126.db2.gz JXKMTBUUGNKYEL-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccncc1 ZINC001075380345 789307831 /nfs/dbraw/zinc/30/78/31/789307831.db2.gz BOFOSNNRTZJEEF-HOCLYGCPSA-N 1 1 328.416 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccncc1 ZINC001075380345 789307840 /nfs/dbraw/zinc/30/78/40/789307840.db2.gz BOFOSNNRTZJEEF-HOCLYGCPSA-N 1 1 328.416 0.804 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073038794 789322050 /nfs/dbraw/zinc/32/20/50/789322050.db2.gz REHDOQYKOFJBOV-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001075415954 789344296 /nfs/dbraw/zinc/34/42/96/789344296.db2.gz QYCGSTRIUPBIPH-RHSMWYFYSA-N 1 1 333.436 0.909 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3C2)c1 ZINC001075531650 789462601 /nfs/dbraw/zinc/46/26/01/789462601.db2.gz VUXZUOKNVOGUOV-JKSUJKDBSA-N 1 1 337.387 0.278 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](Cc2cnnn2C)C3)nc1 ZINC001073134871 789504706 /nfs/dbraw/zinc/50/47/06/789504706.db2.gz VUZHKSLVMZTYST-UHFFFAOYSA-N 1 1 336.399 0.540 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](Cc2cnnn2C)C3)nc1 ZINC001073134871 789504715 /nfs/dbraw/zinc/50/47/15/789504715.db2.gz VUZHKSLVMZTYST-UHFFFAOYSA-N 1 1 336.399 0.540 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCCNC2=O)C3)nc1 ZINC001073134932 789505024 /nfs/dbraw/zinc/50/50/24/789505024.db2.gz YMHKKIDEHXKMJX-MRXNPFEDSA-N 1 1 338.411 0.489 20 30 ECEDMO C=CCOCC(=O)NC1(C)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001073158694 789549430 /nfs/dbraw/zinc/54/94/30/789549430.db2.gz MUWNBRCYAPTCIR-UHFFFAOYSA-N 1 1 334.420 0.891 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073164632 789557046 /nfs/dbraw/zinc/55/70/46/789557046.db2.gz FPLVKBMTHBFJEB-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C)n4)[C@@H]3C2)C1=O ZINC001075622449 789584042 /nfs/dbraw/zinc/58/40/42/789584042.db2.gz XAKMXJCSUJIENR-CWRNSKLLSA-N 1 1 343.431 0.651 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnc(C)[nH]4)[C@@H]3C2)C1=O ZINC001075622449 789584050 /nfs/dbraw/zinc/58/40/50/789584050.db2.gz XAKMXJCSUJIENR-CWRNSKLLSA-N 1 1 343.431 0.651 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnc(C)[nH]4)[C@@H]3C2)C1=O ZINC001075622449 789584056 /nfs/dbraw/zinc/58/40/56/789584056.db2.gz XAKMXJCSUJIENR-CWRNSKLLSA-N 1 1 343.431 0.651 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001073256060 789662244 /nfs/dbraw/zinc/66/22/44/789662244.db2.gz LQGGQLABSLSKNV-OAHLLOKOSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H](C)OC)C(C)(C)C1 ZINC001073332125 789740328 /nfs/dbraw/zinc/74/03/28/789740328.db2.gz VYXCUCOLPVMFLY-HRCADAONSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H](C)OC)C(C)(C)C1 ZINC001073332125 789740333 /nfs/dbraw/zinc/74/03/33/789740333.db2.gz VYXCUCOLPVMFLY-HRCADAONSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(CC)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001069377372 789785167 /nfs/dbraw/zinc/78/51/67/789785167.db2.gz ZPZBLDPNCVGWBL-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3ccc(-n4cnnn4)cc3)C2)C1 ZINC001073410747 789799824 /nfs/dbraw/zinc/79/98/24/789799824.db2.gz OYMMQJKRQRUKJL-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3ccccc3-n3cnnn3)C2)C1 ZINC001073418022 789811044 /nfs/dbraw/zinc/81/10/44/789811044.db2.gz IQHRRNPJDJJBHK-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073425531 789820958 /nfs/dbraw/zinc/82/09/58/789820958.db2.gz AANLQTBSYKUJPI-HZPDHXFCSA-N 1 1 346.475 0.259 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073425531 789820968 /nfs/dbraw/zinc/82/09/68/789820968.db2.gz AANLQTBSYKUJPI-HZPDHXFCSA-N 1 1 346.475 0.259 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[N@@H+](C[C@@H](C)OC)C3)CC1 ZINC001073455159 789862726 /nfs/dbraw/zinc/86/27/26/789862726.db2.gz ABBRVHHXNAHJNE-MRXNPFEDSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[N@H+](C[C@@H](C)OC)C3)CC1 ZINC001073455159 789862731 /nfs/dbraw/zinc/86/27/31/789862731.db2.gz ABBRVHHXNAHJNE-MRXNPFEDSA-N 1 1 333.476 0.901 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(c3cncc(C#N)n3)CC2)C1 ZINC001069820379 790054437 /nfs/dbraw/zinc/05/44/37/790054437.db2.gz NIVMQEOEZYGROO-CQSZACIVSA-N 1 1 326.404 0.553 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 ZINC001069831194 790064509 /nfs/dbraw/zinc/06/45/09/790064509.db2.gz YPWLWUQYIKLQKN-XJKSGUPXSA-N 1 1 340.431 0.799 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccncc2C)[C@@H](n2ccnn2)C1 ZINC001069925876 790197394 /nfs/dbraw/zinc/19/73/94/790197394.db2.gz CTEHYGARSBDNLJ-SJORKVTESA-N 1 1 338.415 0.589 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ncn2)[C@@H](n2ccnn2)C1 ZINC001069928792 790200730 /nfs/dbraw/zinc/20/07/30/790200730.db2.gz JCGJRSKRBYWIRE-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069942271 790218417 /nfs/dbraw/zinc/21/84/17/790218417.db2.gz ULFKWQVTLZHOAE-ZNMIVQPWSA-N 1 1 346.435 0.063 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069942271 790218423 /nfs/dbraw/zinc/21/84/23/790218423.db2.gz ULFKWQVTLZHOAE-ZNMIVQPWSA-N 1 1 346.435 0.063 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn3ncccc23)[C@@H](n2ccnn2)C1 ZINC001069947290 790226614 /nfs/dbraw/zinc/22/66/14/790226614.db2.gz VMCAUIXKUDMCEK-HIFRSBDPSA-N 1 1 338.375 0.162 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn3ncccc23)[C@@H](n2ccnn2)C1 ZINC001069947290 790226619 /nfs/dbraw/zinc/22/66/19/790226619.db2.gz VMCAUIXKUDMCEK-HIFRSBDPSA-N 1 1 338.375 0.162 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CCF)c2)[C@@H](n2ccnn2)C1 ZINC001069964103 790249091 /nfs/dbraw/zinc/24/90/91/790249091.db2.gz WJGLCDVMQNKRHZ-CABCVRRESA-N 1 1 347.398 0.676 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(CCF)c2)[C@@H](n2ccnn2)C1 ZINC001069964103 790249097 /nfs/dbraw/zinc/24/90/97/790249097.db2.gz WJGLCDVMQNKRHZ-CABCVRRESA-N 1 1 347.398 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)/C(C)=C/C)CO2 ZINC001068808725 791173868 /nfs/dbraw/zinc/17/38/68/791173868.db2.gz KXDZUBNEYWWQEH-ZGTFBXRNSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)/C(C)=C/C)CO2 ZINC001068808725 791173873 /nfs/dbraw/zinc/17/38/73/791173873.db2.gz KXDZUBNEYWWQEH-ZGTFBXRNSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068837272 791230864 /nfs/dbraw/zinc/23/08/64/791230864.db2.gz WSEMOCQWEMAXML-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068873797 791318642 /nfs/dbraw/zinc/31/86/42/791318642.db2.gz HRINLNLIGIZDIK-HUUCEWRRSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001068912658 791405037 /nfs/dbraw/zinc/40/50/37/791405037.db2.gz LOHUIDOJFNPBQE-CHWSQXEVSA-N 1 1 336.436 0.362 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](Nc2nccnc2C#N)[C@H]1C ZINC001068921602 791426667 /nfs/dbraw/zinc/42/66/67/791426667.db2.gz SHEPRCHDFNGQQD-OLZOCXBDSA-N 1 1 325.376 0.955 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001068949745 791487011 /nfs/dbraw/zinc/48/70/11/791487011.db2.gz KSSQUUISOITKQL-CQSZACIVSA-N 1 1 346.431 0.890 20 30 ECEDMO C=CCOCC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[N@H+](C)CC)CO2 ZINC001069035436 791627483 /nfs/dbraw/zinc/62/74/83/791627483.db2.gz JAALEHWHISAELS-CQSZACIVSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCOCC(=O)N1CC2(C1)C[C@H](NC(=O)CC[N@H+](C)CC)CO2 ZINC001069035434 791627501 /nfs/dbraw/zinc/62/75/01/791627501.db2.gz JAALEHWHISAELS-AWEZNQCLSA-N 1 1 339.436 0.017 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001066675172 791966574 /nfs/dbraw/zinc/96/65/74/791966574.db2.gz CTYDBMBODUDEIB-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](CNc2cncc(C#N)n2)C1 ZINC001066675895 791969706 /nfs/dbraw/zinc/96/97/06/791969706.db2.gz WLGUWAYICXWXIE-ZFWWWQNUSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNc3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001066685688 791985092 /nfs/dbraw/zinc/98/50/92/791985092.db2.gz CKESOPRJBASWDP-VHDGCEQUSA-N 1 1 344.419 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2ncc(F)cn2)C1 ZINC001066688077 791993781 /nfs/dbraw/zinc/99/37/81/791993781.db2.gz TZOWDEOYFRUHBY-GJZGRUSLSA-N 1 1 347.394 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2ncc(F)cn2)C1 ZINC001066688077 791993788 /nfs/dbraw/zinc/99/37/88/791993788.db2.gz TZOWDEOYFRUHBY-GJZGRUSLSA-N 1 1 347.394 0.353 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066736145 792070044 /nfs/dbraw/zinc/07/00/44/792070044.db2.gz GGNZZMYGEAHLTQ-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066736145 792070056 /nfs/dbraw/zinc/07/00/56/792070056.db2.gz GGNZZMYGEAHLTQ-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066749900 792095602 /nfs/dbraw/zinc/09/56/02/792095602.db2.gz COVJMVFQJVDUDD-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001066750698 792097469 /nfs/dbraw/zinc/09/74/69/792097469.db2.gz XQJAUJPXQLDEFN-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1ccnc(C#N)n1 ZINC001067742651 792211534 /nfs/dbraw/zinc/21/15/34/792211534.db2.gz NQJBMYYUQQQQON-UONOGXRCSA-N 1 1 328.420 0.870 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2ccnc(C#N)n2)C1 ZINC001066889955 792286079 /nfs/dbraw/zinc/28/60/79/792286079.db2.gz AHIITWZQHOWANW-GUYCJALGSA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2ncccc2C#N)C1 ZINC001066891536 792295813 /nfs/dbraw/zinc/29/58/13/792295813.db2.gz ZSDOZBCSLSJWKJ-MAUKXSAKSA-N 1 1 343.431 0.813 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)CC2(C)C)C1 ZINC001068113722 792694328 /nfs/dbraw/zinc/69/43/28/792694328.db2.gz QKEFCEKTXWIQPP-QWHCGFSZSA-N 1 1 328.420 0.631 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC001067117329 792714829 /nfs/dbraw/zinc/71/48/29/792714829.db2.gz MLHXESLGNPVWCH-CQSZACIVSA-N 1 1 331.420 0.759 20 30 ECEDMO C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067289729 792941400 /nfs/dbraw/zinc/94/14/00/792941400.db2.gz YIEWJNBGPASLGL-HZPDHXFCSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067289729 792941407 /nfs/dbraw/zinc/94/14/07/792941407.db2.gz YIEWJNBGPASLGL-HZPDHXFCSA-N 1 1 337.464 0.816 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001067293219 792946827 /nfs/dbraw/zinc/94/68/27/792946827.db2.gz OVVRSSAVMWULAA-KRWDZBQOSA-N 1 1 327.469 0.961 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1C ZINC001067420468 793129367 /nfs/dbraw/zinc/12/93/67/793129367.db2.gz JNQVGVJYZUDHTA-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO C[C@@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001068380385 793158117 /nfs/dbraw/zinc/15/81/17/793158117.db2.gz GMSQVUYVHNEFQQ-ZIAGYGMSSA-N 1 1 342.447 0.903 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)C[N@H+](C)C1CCC1)CCO2 ZINC001068406892 793241448 /nfs/dbraw/zinc/24/14/48/793241448.db2.gz HTNHKSVQZGMDHA-UHFFFAOYSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CCCCC(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068450591 793332028 /nfs/dbraw/zinc/33/20/28/793332028.db2.gz UKAPMZUKUZJEDG-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CC[NH2+]Cc1nnc(C)s1 ZINC001267436157 837412880 /nfs/dbraw/zinc/41/28/80/837412880.db2.gz BVOYQQXIYNWYAA-ZDUSSCGKSA-N 1 1 339.465 0.865 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCCS(N)(=O)=O)C1 ZINC001267483144 837539174 /nfs/dbraw/zinc/53/91/74/837539174.db2.gz ZKDBCMNSWQHMFY-AWEZNQCLSA-N 1 1 331.482 0.944 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cc2ccsc2)C1 ZINC001267500273 837574905 /nfs/dbraw/zinc/57/49/05/837574905.db2.gz CTPCRMBFBTZZQZ-AWEZNQCLSA-N 1 1 333.457 0.868 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cncnc2)C1 ZINC001267524567 837687513 /nfs/dbraw/zinc/68/75/13/837687513.db2.gz VDTHJZVDILMKRU-UONOGXRCSA-N 1 1 329.404 0.056 20 30 ECEDMO CCCN(C(=O)CSCC#N)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001267539694 837725069 /nfs/dbraw/zinc/72/50/69/837725069.db2.gz UEJUZLNXIBOQOJ-QWHCGFSZSA-N 1 1 326.466 0.691 20 30 ECEDMO CCCN(C(=O)CSCC#N)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001267539694 837725077 /nfs/dbraw/zinc/72/50/77/837725077.db2.gz UEJUZLNXIBOQOJ-QWHCGFSZSA-N 1 1 326.466 0.691 20 30 ECEDMO CCCN(C(=O)C#CC(C)C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267541432 837727470 /nfs/dbraw/zinc/72/74/70/837727470.db2.gz AQMIFWYWBMJMSF-UONOGXRCSA-N 1 1 336.436 0.542 20 30 ECEDMO CCCN(C(=O)C#CC(C)C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267541432 837727475 /nfs/dbraw/zinc/72/74/75/837727475.db2.gz AQMIFWYWBMJMSF-UONOGXRCSA-N 1 1 336.436 0.542 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CCC)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267542260 837728781 /nfs/dbraw/zinc/72/87/81/837728781.db2.gz SKZLBTQRFKDMRE-GDBMZVCRSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001267542260 837728790 /nfs/dbraw/zinc/72/87/90/837728790.db2.gz SKZLBTQRFKDMRE-GDBMZVCRSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2ccccc2)C1 ZINC001267545008 837735194 /nfs/dbraw/zinc/73/51/94/837735194.db2.gz OTNWCEXEAIMDCT-QGZVFWFLSA-N 1 1 327.428 0.807 20 30 ECEDMO CCn1cc(C[N@@H+]2CC[C@@H](CCNC(=O)CSCC#N)C2)nn1 ZINC001267552254 837756821 /nfs/dbraw/zinc/75/68/21/837756821.db2.gz WRHMZFUVQWPSGM-CYBMUJFWSA-N 1 1 336.465 0.883 20 30 ECEDMO CCn1cc(C[N@H+]2CC[C@@H](CCNC(=O)CSCC#N)C2)nn1 ZINC001267552254 837756829 /nfs/dbraw/zinc/75/68/29/837756829.db2.gz WRHMZFUVQWPSGM-CYBMUJFWSA-N 1 1 336.465 0.883 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](F)CC)C1 ZINC001267560881 837770587 /nfs/dbraw/zinc/77/05/87/837770587.db2.gz KSDBYLLCKQRQAM-OLZOCXBDSA-N 1 1 342.415 0.575 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001267560523 837771212 /nfs/dbraw/zinc/77/12/12/837771212.db2.gz KNPRASHSZRZCSV-MDZRGWNJSA-N 1 1 347.459 0.523 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001267561240 837773211 /nfs/dbraw/zinc/77/32/11/837773211.db2.gz QAVWOERZTLYBCH-LXZKKBNFSA-N 1 1 348.447 0.269 20 30 ECEDMO C=CCCC[N@H+]1CC[C@H](CCNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001267569410 837796707 /nfs/dbraw/zinc/79/67/07/837796707.db2.gz UYTNWKVSHOZMSX-AWEZNQCLSA-N 1 1 336.436 0.723 20 30 ECEDMO CCO[C@@H]1C[C@H]1C(=O)N(C)CC[NH+]1CCN(CC#CCOC)CC1 ZINC001267574254 837821729 /nfs/dbraw/zinc/82/17/29/837821729.db2.gz ZWCJTAIXCWUWBA-IAGOWNOFSA-N 1 1 337.464 0.137 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)C2=COCCC2)CC1 ZINC001267574248 837821875 /nfs/dbraw/zinc/82/18/75/837821875.db2.gz ZPDGOHPLCSDOSE-UHFFFAOYSA-N 1 1 335.448 0.407 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1noc2ccccc12 ZINC001266295187 835641978 /nfs/dbraw/zinc/64/19/78/835641978.db2.gz CUZBAXDRGHTOMQ-CYBMUJFWSA-N 1 1 342.399 0.556 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1noc2ccccc12 ZINC001266295187 835641981 /nfs/dbraw/zinc/64/19/81/835641981.db2.gz CUZBAXDRGHTOMQ-CYBMUJFWSA-N 1 1 342.399 0.556 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@@](C)(NC(C)=O)C(C)C)CC1 ZINC001266296887 835644975 /nfs/dbraw/zinc/64/49/75/835644975.db2.gz GQFYPCNHEDNZBK-SFHVURJKSA-N 1 1 336.480 0.294 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C[C@@H](C)n2ccc(C)n2)C1=O ZINC001266306504 835671006 /nfs/dbraw/zinc/67/10/06/835671006.db2.gz UWWBZNLFUYNKOM-CVEARBPZSA-N 1 1 347.463 0.978 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C[C@@H](C)n2ccc(C)n2)C1=O ZINC001266306504 835671010 /nfs/dbraw/zinc/67/10/10/835671010.db2.gz UWWBZNLFUYNKOM-CVEARBPZSA-N 1 1 347.463 0.978 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2cccnc21 ZINC001266313277 835680741 /nfs/dbraw/zinc/68/07/41/835680741.db2.gz IJLXDOVTUGPPPN-HIFRSBDPSA-N 1 1 328.416 0.297 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2cccnc21 ZINC001266313277 835680745 /nfs/dbraw/zinc/68/07/45/835680745.db2.gz IJLXDOVTUGPPPN-HIFRSBDPSA-N 1 1 328.416 0.297 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CCCC1(F)F ZINC001266313232 835681342 /nfs/dbraw/zinc/68/13/42/835681342.db2.gz HETXDTBIUPPAKL-STQMWFEESA-N 1 1 329.391 0.998 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H]1CCCC1(F)F ZINC001266313232 835681347 /nfs/dbraw/zinc/68/13/47/835681347.db2.gz HETXDTBIUPPAKL-STQMWFEESA-N 1 1 329.391 0.998 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2cccc(OC)c2)C1 ZINC001266319094 835688419 /nfs/dbraw/zinc/68/84/19/835688419.db2.gz HAJYCNZQMUCZDS-AEFFLSMTSA-N 1 1 346.427 0.959 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001266325936 835704330 /nfs/dbraw/zinc/70/43/30/835704330.db2.gz VEUXTZPAKSNNLM-TZMCWYRMSA-N 1 1 347.390 0.776 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001266325936 835704336 /nfs/dbraw/zinc/70/43/36/835704336.db2.gz VEUXTZPAKSNNLM-TZMCWYRMSA-N 1 1 347.390 0.776 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001266343055 835730598 /nfs/dbraw/zinc/73/05/98/835730598.db2.gz XNVIDSCICBZPSU-UONOGXRCSA-N 1 1 334.424 0.019 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cnn3c2CCCC3)C1=O ZINC001266344707 835734260 /nfs/dbraw/zinc/73/42/60/835734260.db2.gz NOICJMNCOHLUEM-INIZCTEOSA-N 1 1 345.447 0.668 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cnn3c2CCCC3)C1=O ZINC001266344707 835734267 /nfs/dbraw/zinc/73/42/67/835734267.db2.gz NOICJMNCOHLUEM-INIZCTEOSA-N 1 1 345.447 0.668 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1ccc(-n2ccnn2)cc1 ZINC001266347925 835741796 /nfs/dbraw/zinc/74/17/96/835741796.db2.gz STDASGHYSIKUIC-UHFFFAOYSA-N 1 1 327.388 0.579 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1nccn2cc(C)nc12 ZINC001266348156 835741843 /nfs/dbraw/zinc/74/18/43/835741843.db2.gz XLIHZFCUBUDIEO-ZDUSSCGKSA-N 1 1 344.419 0.390 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1nccn2cc(C)nc12 ZINC001266348156 835741852 /nfs/dbraw/zinc/74/18/52/835741852.db2.gz XLIHZFCUBUDIEO-ZDUSSCGKSA-N 1 1 344.419 0.390 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001266359103 835767506 /nfs/dbraw/zinc/76/75/06/835767506.db2.gz NNMPJHASYSFNLA-AAEUAGOBSA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001266359103 835767513 /nfs/dbraw/zinc/76/75/13/835767513.db2.gz NNMPJHASYSFNLA-AAEUAGOBSA-N 1 1 342.403 0.453 20 30 ECEDMO C=CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001266360091 835769615 /nfs/dbraw/zinc/76/96/15/835769615.db2.gz QPJNQFRGFLDURY-DZGCQCFKSA-N 1 1 346.431 0.978 20 30 ECEDMO C=CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001266360091 835769623 /nfs/dbraw/zinc/76/96/23/835769623.db2.gz QPJNQFRGFLDURY-DZGCQCFKSA-N 1 1 346.431 0.978 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@H+](C[C@@H](CC)OC)C1 ZINC001266361687 835771738 /nfs/dbraw/zinc/77/17/38/835771738.db2.gz QDAAFJBIIRFNDZ-UONOGXRCSA-N 1 1 340.468 0.866 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)[C@H]2C[C@H](C)CO2)CC1 ZINC001266389012 835797925 /nfs/dbraw/zinc/79/79/25/835797925.db2.gz ZLGJWQNXKRHNNR-DOTOQJQBSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)CC(=O)NC(=O)NC1CCCC1 ZINC001266390556 835798401 /nfs/dbraw/zinc/79/84/01/835798401.db2.gz BZGMVKYUYIFZAY-UHFFFAOYSA-N 1 1 348.447 0.606 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)NC(=O)NC1CCCC1 ZINC001266390556 835798409 /nfs/dbraw/zinc/79/84/09/835798409.db2.gz BZGMVKYUYIFZAY-UHFFFAOYSA-N 1 1 348.447 0.606 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2cnc3n2CCC3)C1=O ZINC001266394450 835801322 /nfs/dbraw/zinc/80/13/22/835801322.db2.gz PYXHIKMUEGZMMX-CQSZACIVSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCc2cccnc21 ZINC001266411363 835816065 /nfs/dbraw/zinc/81/60/65/835816065.db2.gz SAYRHDMGOMWFJY-GOEBONIOSA-N 1 1 342.443 0.687 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCc2cccnc21 ZINC001266411363 835816071 /nfs/dbraw/zinc/81/60/71/835816071.db2.gz SAYRHDMGOMWFJY-GOEBONIOSA-N 1 1 342.443 0.687 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCc2cccnc21 ZINC001266411364 835816598 /nfs/dbraw/zinc/81/65/98/835816598.db2.gz SAYRHDMGOMWFJY-HOCLYGCPSA-N 1 1 342.443 0.687 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCc2cccnc21 ZINC001266411364 835816606 /nfs/dbraw/zinc/81/66/06/835816606.db2.gz SAYRHDMGOMWFJY-HOCLYGCPSA-N 1 1 342.443 0.687 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CC)CC(=O)N(CC)CC)nc1 ZINC001266428517 835833220 /nfs/dbraw/zinc/83/32/20/835833220.db2.gz QQXUNVBACLPBEQ-UHFFFAOYSA-N 1 1 330.432 0.983 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC)CC(=O)N(CC)CC)nc1 ZINC001266428517 835833229 /nfs/dbraw/zinc/83/32/29/835833229.db2.gz QQXUNVBACLPBEQ-UHFFFAOYSA-N 1 1 330.432 0.983 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001266444339 835848834 /nfs/dbraw/zinc/84/88/34/835848834.db2.gz YZCHBFDLHNCWIU-UHFFFAOYSA-N 1 1 346.387 0.887 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001266444339 835848843 /nfs/dbraw/zinc/84/88/43/835848843.db2.gz YZCHBFDLHNCWIU-UHFFFAOYSA-N 1 1 346.387 0.887 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001266455918 835858775 /nfs/dbraw/zinc/85/87/75/835858775.db2.gz NQYUHFYQRWQHKD-RDJZCZTQSA-N 1 1 329.444 0.708 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccnn1CC ZINC001266457238 835861263 /nfs/dbraw/zinc/86/12/63/835861263.db2.gz HUZLSDWFIYXEPA-KBPBESRZSA-N 1 1 333.436 0.788 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccnn1CC ZINC001266457238 835861266 /nfs/dbraw/zinc/86/12/66/835861266.db2.gz HUZLSDWFIYXEPA-KBPBESRZSA-N 1 1 333.436 0.788 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001266459618 835861821 /nfs/dbraw/zinc/86/18/21/835861821.db2.gz RKBSULSJZZLXSQ-HNNXBMFYSA-N 1 1 328.416 0.527 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ncccc2F)C1 ZINC001266468842 835871414 /nfs/dbraw/zinc/87/14/14/835871414.db2.gz AULXWGOMCKLGGD-AWEZNQCLSA-N 1 1 346.406 0.754 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001266469702 835873569 /nfs/dbraw/zinc/87/35/69/835873569.db2.gz QRCWPDMCKJYIPI-QAPCUYQASA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CCC)nn1 ZINC001266487094 835888219 /nfs/dbraw/zinc/88/82/19/835888219.db2.gz TWCJBLJUYNJSLL-ZIAGYGMSSA-N 1 1 346.435 0.020 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CCC)nn1 ZINC001266487094 835888221 /nfs/dbraw/zinc/88/82/21/835888221.db2.gz TWCJBLJUYNJSLL-ZIAGYGMSSA-N 1 1 346.435 0.020 20 30 ECEDMO C[C@H](C[N@H+]1CC[C@@H](CNC(=O)CSCC#N)C1)CS(C)(=O)=O ZINC001266500087 835901534 /nfs/dbraw/zinc/90/15/34/835901534.db2.gz LXLQTIWPDWBGAD-OLZOCXBDSA-N 1 1 347.506 0.362 20 30 ECEDMO N#CCSCC(=O)NC[C@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001266500884 835901906 /nfs/dbraw/zinc/90/19/06/835901906.db2.gz XVQJAVXSWDVXAA-OLZOCXBDSA-N 1 1 334.449 0.460 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001266513606 835923498 /nfs/dbraw/zinc/92/34/98/835923498.db2.gz DANFPOQGWLAOMB-JKSUJKDBSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001266522996 835937706 /nfs/dbraw/zinc/93/77/06/835937706.db2.gz DVQDAPZLUYLOMW-GJZGRUSLSA-N 1 1 345.447 0.227 20 30 ECEDMO O=C(CCn1cnnn1)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001266539568 835960071 /nfs/dbraw/zinc/96/00/71/835960071.db2.gz DSJBRKTYRBSOHJ-QGZVFWFLSA-N 1 1 338.415 0.553 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cn(CCC)nn2)C1 ZINC001266540360 835961316 /nfs/dbraw/zinc/96/13/16/835961316.db2.gz VHYBSYNDBMCALP-ZDUSSCGKSA-N 1 1 334.424 0.042 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cn(CCC)nc2C)C1 ZINC001266540604 835962860 /nfs/dbraw/zinc/96/28/60/835962860.db2.gz ZRJPPGQKYADPMU-OAHLLOKOSA-N 1 1 345.447 0.403 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c3ncccc23)C1 ZINC001266548694 835970790 /nfs/dbraw/zinc/97/07/90/835970790.db2.gz FRASNSLEJNYLNJ-CYBMUJFWSA-N 1 1 341.415 0.917 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001266551094 835975695 /nfs/dbraw/zinc/97/56/95/835975695.db2.gz LEUJMNJISKNRDW-HOTGVXAUSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001266551094 835975705 /nfs/dbraw/zinc/97/57/05/835975705.db2.gz LEUJMNJISKNRDW-HOTGVXAUSA-N 1 1 336.480 0.601 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2nonc2C)C1 ZINC001266551157 835976301 /nfs/dbraw/zinc/97/63/01/835976301.db2.gz MOGPQICGAQZUFD-AWEZNQCLSA-N 1 1 349.435 0.854 20 30 ECEDMO C=CCC1(C(=O)N2CC[C@H]([NH2+]Cc3cn(C)nn3)C2)CCOCC1 ZINC001266564083 835993132 /nfs/dbraw/zinc/99/31/32/835993132.db2.gz OSZOPZGYRDBOAB-AWEZNQCLSA-N 1 1 333.436 0.879 20 30 ECEDMO Cc1oc(C(C)C)nc1C(=O)NCC[N@H+](CC(=O)NCC#N)C1CC1 ZINC001266592763 836023972 /nfs/dbraw/zinc/02/39/72/836023972.db2.gz ZQNHFMNEYPJVSR-UHFFFAOYSA-N 1 1 347.419 0.940 20 30 ECEDMO Cc1oc(C(C)C)nc1C(=O)NCC[N@@H+](CC(=O)NCC#N)C1CC1 ZINC001266592763 836023975 /nfs/dbraw/zinc/02/39/75/836023975.db2.gz ZQNHFMNEYPJVSR-UHFFFAOYSA-N 1 1 347.419 0.940 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](C2CC2)[C@@H]2CCCN(C)C2=O)nc1 ZINC001266617285 836052335 /nfs/dbraw/zinc/05/23/35/836052335.db2.gz CUKKTFKEJZLSRE-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCCN(C)C2=O)nc1 ZINC001266617285 836052344 /nfs/dbraw/zinc/05/23/44/836052344.db2.gz CUKKTFKEJZLSRE-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1cnn(C)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC#N ZINC001266652225 836087746 /nfs/dbraw/zinc/08/77/46/836087746.db2.gz UWWDRHWOCNIPGR-AGUYFDCRSA-N 1 1 344.419 0.094 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccon2)C1 ZINC001266655520 836091210 /nfs/dbraw/zinc/09/12/10/836091210.db2.gz ANXUWPFCCNTEPL-ZFWWWQNUSA-N 1 1 332.404 0.903 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnccn2)C1 ZINC001266656513 836092992 /nfs/dbraw/zinc/09/29/92/836092992.db2.gz WUFVZIXGHINUIP-GOEBONIOSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)CC)C1 ZINC001266743276 836226419 /nfs/dbraw/zinc/22/64/19/836226419.db2.gz LRPMSANDHMZTRT-KGLIPLIRSA-N 1 1 338.452 0.032 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001266742666 836227594 /nfs/dbraw/zinc/22/75/94/836227594.db2.gz DOXFWTRJTKCQLC-GJZGRUSLSA-N 1 1 333.436 0.796 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2c(C)ccn2C)C1 ZINC001266747305 836234222 /nfs/dbraw/zinc/23/42/22/836234222.db2.gz PLLFORDDHRNERE-CVEARBPZSA-N 1 1 344.459 0.913 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC001266764695 836269042 /nfs/dbraw/zinc/26/90/42/836269042.db2.gz UWSZNFNUVBLCLB-LBPRGKRZSA-N 1 1 344.419 0.369 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC001266764695 836269049 /nfs/dbraw/zinc/26/90/49/836269049.db2.gz UWSZNFNUVBLCLB-LBPRGKRZSA-N 1 1 344.419 0.369 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)CC[NH2+]Cc2nnc3n2CCOC3)cc1 ZINC001266798660 836319912 /nfs/dbraw/zinc/31/99/12/836319912.db2.gz SPYBEFNKVLRVQF-UHFFFAOYSA-N 1 1 339.399 0.651 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1c(C)cc(C)nc1=O ZINC001266858305 836396530 /nfs/dbraw/zinc/39/65/30/836396530.db2.gz SAKRSSGJFUXFKL-INIZCTEOSA-N 1 1 330.432 0.854 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2cc[nH]n2)C1 ZINC001266895007 836445098 /nfs/dbraw/zinc/44/50/98/836445098.db2.gz YJQUOEZHICATQV-KGLIPLIRSA-N 1 1 333.436 0.471 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001266894339 836445214 /nfs/dbraw/zinc/44/52/14/836445214.db2.gz IEABHBPMNDJNKP-UONOGXRCSA-N 1 1 345.509 0.965 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)N3CCCCC3)C[C@H]21 ZINC001266900799 836454212 /nfs/dbraw/zinc/45/42/12/836454212.db2.gz HONJAQOVMAVPDT-JBFGMIDGSA-N 1 1 349.475 0.761 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(F)(F)C1 ZINC001266901264 836456000 /nfs/dbraw/zinc/45/60/00/836456000.db2.gz VAQQCNRWMNAOIF-POQQGIQPSA-N 1 1 339.386 0.606 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001266902972 836457512 /nfs/dbraw/zinc/45/75/12/836457512.db2.gz SOVYEBBAYQYGLX-RXYDEIHYSA-N 1 1 343.471 0.999 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001266902972 836457518 /nfs/dbraw/zinc/45/75/18/836457518.db2.gz SOVYEBBAYQYGLX-RXYDEIHYSA-N 1 1 343.471 0.999 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)C2(F)CCOCC2)CC1 ZINC001279575026 836763556 /nfs/dbraw/zinc/76/35/56/836763556.db2.gz XZZHPBGOGYVURK-UHFFFAOYSA-N 1 1 337.395 0.003 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)C2(F)CCOCC2)CC1 ZINC001279575026 836763562 /nfs/dbraw/zinc/76/35/62/836763562.db2.gz XZZHPBGOGYVURK-UHFFFAOYSA-N 1 1 337.395 0.003 20 30 ECEDMO CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001267104170 836779906 /nfs/dbraw/zinc/77/99/06/836779906.db2.gz NLSUVKLDAQCLFW-CABCVRRESA-N 1 1 343.431 0.709 20 30 ECEDMO C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001267104490 836780202 /nfs/dbraw/zinc/78/02/02/836780202.db2.gz RBKGFDWZVQBNIQ-AWEZNQCLSA-N 1 1 334.420 0.519 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CCOCC2CC2)C1 ZINC001267106013 836786776 /nfs/dbraw/zinc/78/67/76/836786776.db2.gz NYMIKQXFZZCYLK-NVXWUHKLSA-N 1 1 349.475 0.864 20 30 ECEDMO Cc1cncc(CC(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)c1 ZINC001267107026 836788477 /nfs/dbraw/zinc/78/84/77/836788477.db2.gz ABVKTAGXQVIKEX-MRXNPFEDSA-N 1 1 343.431 0.495 20 30 ECEDMO Cc1cncc(CC(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)c1 ZINC001267107026 836788481 /nfs/dbraw/zinc/78/84/81/836788481.db2.gz ABVKTAGXQVIKEX-MRXNPFEDSA-N 1 1 343.431 0.495 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(COCC)CC2)C1 ZINC001267109578 836794607 /nfs/dbraw/zinc/79/46/07/836794607.db2.gz ZOOGCFXJSZFYPG-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(COCC)CC2)C1 ZINC001267109578 836794611 /nfs/dbraw/zinc/79/46/11/836794611.db2.gz ZOOGCFXJSZFYPG-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCCn2cccc2)C1 ZINC001267114709 836806665 /nfs/dbraw/zinc/80/66/65/836806665.db2.gz LMXMFWVOMQHEOA-QGZVFWFLSA-N 1 1 344.459 0.941 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCn2cccc2)C1 ZINC001267114709 836806673 /nfs/dbraw/zinc/80/66/73/836806673.db2.gz LMXMFWVOMQHEOA-QGZVFWFLSA-N 1 1 344.459 0.941 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CCOC)C1 ZINC001267114951 836808936 /nfs/dbraw/zinc/80/89/36/836808936.db2.gz OBFXQSFKXNPSGZ-CQSZACIVSA-N 1 1 340.468 0.819 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N(C)CC[NH2+]Cc1ccn(C)n1 ZINC001267117732 836815614 /nfs/dbraw/zinc/81/56/14/836815614.db2.gz WERMEJYWPBMEHI-UHFFFAOYSA-N 1 1 336.440 0.232 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccn(C)n1 ZINC001267181014 836928478 /nfs/dbraw/zinc/92/84/78/836928478.db2.gz FNCYMMWZYPZXCN-AWEZNQCLSA-N 1 1 333.436 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)CC(=O)NCC1CCC1 ZINC001267199427 836968877 /nfs/dbraw/zinc/96/88/77/836968877.db2.gz NRRZHHQBGZYFNO-INIZCTEOSA-N 1 1 334.464 0.048 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CC(=O)NCC1CCC1 ZINC001267199427 836968882 /nfs/dbraw/zinc/96/88/82/836968882.db2.gz NRRZHHQBGZYFNO-INIZCTEOSA-N 1 1 334.464 0.048 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)Cc2nc(CC)c[nH]2)C1=O ZINC001267201127 836976497 /nfs/dbraw/zinc/97/64/97/836976497.db2.gz WMFTVGUKWUXMDU-AWEZNQCLSA-N 1 1 333.436 0.350 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)Cc2nc(CC)c[nH]2)C1=O ZINC001267201127 836976504 /nfs/dbraw/zinc/97/65/04/836976504.db2.gz WMFTVGUKWUXMDU-AWEZNQCLSA-N 1 1 333.436 0.350 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001267213578 837002815 /nfs/dbraw/zinc/00/28/15/837002815.db2.gz QEKXIEHAGKJXDV-ZIAGYGMSSA-N 1 1 347.463 0.579 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001267213578 837002825 /nfs/dbraw/zinc/00/28/25/837002825.db2.gz QEKXIEHAGKJXDV-ZIAGYGMSSA-N 1 1 347.463 0.579 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)CCc2cncs2)C1=O ZINC001267217927 837008088 /nfs/dbraw/zinc/00/80/88/837008088.db2.gz SVKLBXRRNCAISN-AWEZNQCLSA-N 1 1 336.461 0.911 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)CCc2cncs2)C1=O ZINC001267217927 837008101 /nfs/dbraw/zinc/00/81/01/837008101.db2.gz SVKLBXRRNCAISN-AWEZNQCLSA-N 1 1 336.461 0.911 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2cccnn21 ZINC001267221110 837012363 /nfs/dbraw/zinc/01/23/63/837012363.db2.gz TVHZQEMSFYWQEC-CYBMUJFWSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2cccnn21 ZINC001267221110 837012373 /nfs/dbraw/zinc/01/23/73/837012373.db2.gz TVHZQEMSFYWQEC-CYBMUJFWSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cnc(C3CC3)nc2)C1=O ZINC001267220471 837013003 /nfs/dbraw/zinc/01/30/03/837013003.db2.gz UGQSWWSWOFJWOK-HNNXBMFYSA-N 1 1 343.431 0.803 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cnc(C3CC3)nc2)C1=O ZINC001267220471 837013014 /nfs/dbraw/zinc/01/30/14/837013014.db2.gz UGQSWWSWOFJWOK-HNNXBMFYSA-N 1 1 343.431 0.803 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cccc(OC)c1 ZINC001267227657 837027429 /nfs/dbraw/zinc/02/74/29/837027429.db2.gz ZOYAICHHIPWCDI-UHFFFAOYSA-N 1 1 348.403 0.369 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cccc(OC)c1 ZINC001267227657 837027434 /nfs/dbraw/zinc/02/74/34/837027434.db2.gz ZOYAICHHIPWCDI-UHFFFAOYSA-N 1 1 348.403 0.369 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC3OCCCO3)[C@@H]2C1 ZINC001279613865 837047966 /nfs/dbraw/zinc/04/79/66/837047966.db2.gz WTMUARWFAJZSQH-JKSUJKDBSA-N 1 1 336.432 0.712 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC(C)C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001267240883 837048051 /nfs/dbraw/zinc/04/80/51/837048051.db2.gz BRDFZXCPAHNAET-AWEZNQCLSA-N 1 1 338.452 0.707 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC(C)C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001267240883 837048058 /nfs/dbraw/zinc/04/80/58/837048058.db2.gz BRDFZXCPAHNAET-AWEZNQCLSA-N 1 1 338.452 0.707 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)Cc2cnn(C)c2C)C1=O ZINC001267242486 837051713 /nfs/dbraw/zinc/05/17/13/837051713.db2.gz NVZMMKCUIALZCN-INIZCTEOSA-N 1 1 347.463 0.496 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)Cc2cnn(C)c2C)C1=O ZINC001267242487 837051857 /nfs/dbraw/zinc/05/18/57/837051857.db2.gz NVZMMKCUIALZCN-MRXNPFEDSA-N 1 1 347.463 0.496 20 30 ECEDMO CC[N@H+](CCNC(=O)c1c(C)noc1C(F)F)CC(=O)NCC#N ZINC001267245818 837060564 /nfs/dbraw/zinc/06/05/64/837060564.db2.gz MRLJWBLBFPTGBZ-UHFFFAOYSA-N 1 1 343.334 0.612 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1c(C)noc1C(F)F)CC(=O)NCC#N ZINC001267245818 837060599 /nfs/dbraw/zinc/06/05/99/837060599.db2.gz MRLJWBLBFPTGBZ-UHFFFAOYSA-N 1 1 343.334 0.612 20 30 ECEDMO CC[N@H+](CCNC(=O)[C@H]1CCNC1=O)Cc1cc(C#N)ccc1OC ZINC001267247558 837065429 /nfs/dbraw/zinc/06/54/29/837065429.db2.gz RBUBIAWQRNAPLB-HNNXBMFYSA-N 1 1 344.415 0.641 20 30 ECEDMO CC[N@@H+](CCNC(=O)[C@H]1CCNC1=O)Cc1cc(C#N)ccc1OC ZINC001267247558 837065438 /nfs/dbraw/zinc/06/54/38/837065438.db2.gz RBUBIAWQRNAPLB-HNNXBMFYSA-N 1 1 344.415 0.641 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ccc2c(c1)C[C@@H](C)O2)CC(=O)NCC#N ZINC001267252267 837070290 /nfs/dbraw/zinc/07/02/90/837070290.db2.gz ITYAOAYRQCEHGT-CYBMUJFWSA-N 1 1 344.415 0.701 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ccc2c(c1)C[C@@H](C)O2)CC(=O)NCC#N ZINC001267252267 837070296 /nfs/dbraw/zinc/07/02/96/837070296.db2.gz ITYAOAYRQCEHGT-CYBMUJFWSA-N 1 1 344.415 0.701 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001267260557 837088694 /nfs/dbraw/zinc/08/86/94/837088694.db2.gz ZPAOEFRIPABXJK-UHFFFAOYSA-N 1 1 344.415 0.980 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC001267271498 837112211 /nfs/dbraw/zinc/11/22/11/837112211.db2.gz WZAVICDZWRYMSJ-DZGCQCFKSA-N 1 1 346.431 0.270 20 30 ECEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)NC(N)=O)CCC1 ZINC001267275125 837118821 /nfs/dbraw/zinc/11/88/21/837118821.db2.gz CUAZSCMBEZWMFW-STQMWFEESA-N 1 1 336.436 0.897 20 30 ECEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC(N)=O)CCC1 ZINC001267275125 837118825 /nfs/dbraw/zinc/11/88/25/837118825.db2.gz CUAZSCMBEZWMFW-STQMWFEESA-N 1 1 336.436 0.897 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001267276295 837120471 /nfs/dbraw/zinc/12/04/71/837120471.db2.gz PCHIIJZNOSJSRE-UONOGXRCSA-N 1 1 344.415 0.428 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)[nH]c1=O ZINC001267276295 837120478 /nfs/dbraw/zinc/12/04/78/837120478.db2.gz PCHIIJZNOSJSRE-UONOGXRCSA-N 1 1 344.415 0.428 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1nonc1C ZINC001267283166 837131992 /nfs/dbraw/zinc/13/19/92/837131992.db2.gz JGCGVCNXBAAGBK-AWEZNQCLSA-N 1 1 347.419 0.773 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1nonc1C ZINC001267283166 837131997 /nfs/dbraw/zinc/13/19/97/837131997.db2.gz JGCGVCNXBAAGBK-AWEZNQCLSA-N 1 1 347.419 0.773 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CC2CCOCC2)C1 ZINC001267290295 837141385 /nfs/dbraw/zinc/14/13/85/837141385.db2.gz NBIBYJUCRASRCD-HOCLYGCPSA-N 1 1 335.448 0.379 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001267292895 837145868 /nfs/dbraw/zinc/14/58/68/837145868.db2.gz HYWIABDAXYOIGJ-GDBMZVCRSA-N 1 1 335.448 0.379 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cncc(OC)c2C)C1 ZINC001267296002 837153178 /nfs/dbraw/zinc/15/31/78/837153178.db2.gz FOTDPMPOSDGFEI-AWEZNQCLSA-N 1 1 346.431 0.753 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)n2ccc(C)n2)C1 ZINC001267297610 837155136 /nfs/dbraw/zinc/15/51/36/837155136.db2.gz DKOLWYPNUONXEC-CVEARBPZSA-N 1 1 347.463 0.883 20 30 ECEDMO Cc1cc(C)c(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c(C)n1 ZINC001267297322 837158264 /nfs/dbraw/zinc/15/82/64/837158264.db2.gz HFPWNFLHQXHKRY-HNNXBMFYSA-N 1 1 343.431 0.698 20 30 ECEDMO Cc1cc(C)c(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(C)n1 ZINC001267297322 837158266 /nfs/dbraw/zinc/15/82/66/837158266.db2.gz HFPWNFLHQXHKRY-HNNXBMFYSA-N 1 1 343.431 0.698 20 30 ECEDMO C#CCCCCCC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267298401 837160195 /nfs/dbraw/zinc/16/01/95/837160195.db2.gz MLWRTNMQAUUVKI-LSDHHAIUSA-N 1 1 333.432 0.813 20 30 ECEDMO C#CCCCCCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267298968 837160958 /nfs/dbraw/zinc/16/09/58/837160958.db2.gz UNHNJWAKEZZESN-UONOGXRCSA-N 1 1 336.436 0.592 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001267299908 837164009 /nfs/dbraw/zinc/16/40/09/837164009.db2.gz HJXKDBLPSVEHTR-DZGCQCFKSA-N 1 1 341.415 0.189 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001267299908 837164013 /nfs/dbraw/zinc/16/40/13/837164013.db2.gz HJXKDBLPSVEHTR-DZGCQCFKSA-N 1 1 341.415 0.189 20 30 ECEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CCC1 ZINC001267303361 837169255 /nfs/dbraw/zinc/16/92/55/837169255.db2.gz YSOVJTQDQJTTCP-AWEZNQCLSA-N 1 1 348.447 0.723 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001267304540 837172623 /nfs/dbraw/zinc/17/26/23/837172623.db2.gz JGZMQPJODDXQLC-HUUCEWRRSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001267304651 837173144 /nfs/dbraw/zinc/17/31/44/837173144.db2.gz BBWZQUJTNVEZEP-KGLIPLIRSA-N 1 1 331.482 0.671 20 30 ECEDMO CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267309340 837184480 /nfs/dbraw/zinc/18/44/80/837184480.db2.gz LEGVIXVEGMFVSV-MRXNPFEDSA-N 1 1 349.456 0.025 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1n[nH]c2c1CCC2 ZINC001267315543 837190888 /nfs/dbraw/zinc/19/08/88/837190888.db2.gz NATPICLKFUBSRZ-UHFFFAOYSA-N 1 1 331.420 0.090 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1n[nH]c2c1CCC2 ZINC001267315543 837190891 /nfs/dbraw/zinc/19/08/91/837190891.db2.gz NATPICLKFUBSRZ-UHFFFAOYSA-N 1 1 331.420 0.090 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCOC[C@@H]1C)CC(=O)NCC#N ZINC001267318640 837195205 /nfs/dbraw/zinc/19/52/05/837195205.db2.gz BDCBQYUFGBLMFU-LSDHHAIUSA-N 1 1 338.452 0.515 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1c(C)[nH]nc1Cl)C1CC1 ZINC001267325578 837203707 /nfs/dbraw/zinc/20/37/07/837203707.db2.gz FVUWUWMGMJJYKW-UHFFFAOYSA-N 1 1 339.827 0.868 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1c(C)[nH]nc1Cl)C1CC1 ZINC001267325578 837203711 /nfs/dbraw/zinc/20/37/11/837203711.db2.gz FVUWUWMGMJJYKW-UHFFFAOYSA-N 1 1 339.827 0.868 20 30 ECEDMO C#Cc1ccc(C(=O)NCCC[N@@H+](CC(=O)NC(N)=O)C(C)C)nc1 ZINC001267334332 837216924 /nfs/dbraw/zinc/21/69/24/837216924.db2.gz GZFFZGIFSCTHQM-UHFFFAOYSA-N 1 1 345.403 0.088 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1ccncc1Cl)C1CC1 ZINC001267333982 837217084 /nfs/dbraw/zinc/21/70/84/837217084.db2.gz SXLZVFPWXXZANS-UHFFFAOYSA-N 1 1 334.807 0.679 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1ccncc1Cl)C1CC1 ZINC001267333982 837217093 /nfs/dbraw/zinc/21/70/93/837217093.db2.gz SXLZVFPWXXZANS-UHFFFAOYSA-N 1 1 334.807 0.679 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cccc(OC)c1)C1CC1 ZINC001267337178 837221894 /nfs/dbraw/zinc/22/18/94/837221894.db2.gz KABHBIZEGKAECM-UHFFFAOYSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cccc(OC)c1)C1CC1 ZINC001267337178 837221903 /nfs/dbraw/zinc/22/19/03/837221903.db2.gz KABHBIZEGKAECM-UHFFFAOYSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H](C)SC)c1ccccc1 ZINC001267350161 837238187 /nfs/dbraw/zinc/23/81/87/837238187.db2.gz AVUKTDLUZKVAGA-UKRRQHHQSA-N 1 1 333.457 0.934 20 30 ECEDMO C=CCCC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(=O)NC2CC2)C1 ZINC001267578918 837838608 /nfs/dbraw/zinc/83/86/08/837838608.db2.gz ALRMRSPYAYHMKA-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001267586424 837863894 /nfs/dbraw/zinc/86/38/94/837863894.db2.gz RGWBRIRGMCAZKT-MDZRGWNJSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)c2ccco2)C1 ZINC001267587728 837868711 /nfs/dbraw/zinc/86/87/11/837868711.db2.gz BYCJAXIVAXHENN-GJZGRUSLSA-N 1 1 331.416 0.913 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267591017 837879555 /nfs/dbraw/zinc/87/95/55/837879555.db2.gz XZZSCBOQEMFEBQ-AWEZNQCLSA-N 1 1 344.415 0.239 20 30 ECEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001267591706 837882040 /nfs/dbraw/zinc/88/20/40/837882040.db2.gz HKEGODVOLHSNBI-NSHDSACASA-N 1 1 327.812 0.572 20 30 ECEDMO C=CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267593580 837893497 /nfs/dbraw/zinc/89/34/97/837893497.db2.gz NVDVHYJJXVYMKL-CVEARBPZSA-N 1 1 336.480 0.411 20 30 ECEDMO C=CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267593580 837893504 /nfs/dbraw/zinc/89/35/04/837893504.db2.gz NVDVHYJJXVYMKL-CVEARBPZSA-N 1 1 336.480 0.411 20 30 ECEDMO CCC(=O)N1CC[C@@H](C(=O)NCC[C@H]2CC[N@@H+](CC#CCOC)C2)C1 ZINC001267595048 837897425 /nfs/dbraw/zinc/89/74/25/837897425.db2.gz OXJRLYVUEZKMMH-DLBZAZTESA-N 1 1 349.475 0.723 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)c2cnn(C)n2)CC1 ZINC001267602857 837927964 /nfs/dbraw/zinc/92/79/64/837927964.db2.gz MLDMTRZZVHYIIR-CYBMUJFWSA-N 1 1 348.451 0.290 20 30 ECEDMO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267614579 837990846 /nfs/dbraw/zinc/99/08/46/837990846.db2.gz NWCUBENBFDWZSG-OAHLLOKOSA-N 1 1 341.477 0.310 20 30 ECEDMO CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267614579 837990855 /nfs/dbraw/zinc/99/08/55/837990855.db2.gz NWCUBENBFDWZSG-OAHLLOKOSA-N 1 1 341.477 0.310 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)COC)C1 ZINC001267615582 837997301 /nfs/dbraw/zinc/99/73/01/837997301.db2.gz DATDMYODYAIWQN-ZIAGYGMSSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)COC)C1 ZINC001267615582 837997304 /nfs/dbraw/zinc/99/73/04/837997304.db2.gz DATDMYODYAIWQN-ZIAGYGMSSA-N 1 1 325.453 0.930 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)C[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625529 838073905 /nfs/dbraw/zinc/07/39/05/838073905.db2.gz MJLVLTFSDZSWGF-STQMWFEESA-N 1 1 338.477 0.691 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2CC)C1 ZINC001267627739 838082346 /nfs/dbraw/zinc/08/23/46/838082346.db2.gz KWFCBFAMQAQGEL-HOTGVXAUSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267632062 838092416 /nfs/dbraw/zinc/09/24/16/838092416.db2.gz OWXZCDYXHZRYOC-AWEZNQCLSA-N 1 1 331.482 0.815 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCc2ncccn2)C1 ZINC001267632966 838094117 /nfs/dbraw/zinc/09/41/17/838094117.db2.gz XNPWSXVMIAKPGU-GJZGRUSLSA-N 1 1 345.447 0.681 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCc2ncccn2)C1 ZINC001267632966 838094121 /nfs/dbraw/zinc/09/41/21/838094121.db2.gz XNPWSXVMIAKPGU-GJZGRUSLSA-N 1 1 345.447 0.681 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)CCCC(=O)NC(C)C)C1 ZINC001267633873 838102160 /nfs/dbraw/zinc/10/21/60/838102160.db2.gz SPJDFZJSRGVHPR-INIZCTEOSA-N 1 1 337.464 0.912 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)CCCC(=O)NC(C)C)C1 ZINC001267633873 838102166 /nfs/dbraw/zinc/10/21/66/838102166.db2.gz SPJDFZJSRGVHPR-INIZCTEOSA-N 1 1 337.464 0.912 20 30 ECEDMO CC[C@@H](SC)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267638999 838118068 /nfs/dbraw/zinc/11/80/68/838118068.db2.gz WNVYFKHNRPDUKJ-QWHCGFSZSA-N 1 1 326.466 0.548 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001267658393 838173696 /nfs/dbraw/zinc/17/36/96/838173696.db2.gz NRCKMAAMXXTMDY-OLZOCXBDSA-N 1 1 327.375 0.561 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2COCCN2CC)C1 ZINC001267658584 838174692 /nfs/dbraw/zinc/17/46/92/838174692.db2.gz PGLOORYWWSHQPU-IRXDYDNUSA-N 1 1 339.480 0.690 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001267665415 838190599 /nfs/dbraw/zinc/19/05/99/838190599.db2.gz HJEXNTKTJIZPLX-HNNXBMFYSA-N 1 1 333.436 0.274 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC001267680099 838238246 /nfs/dbraw/zinc/23/82/46/838238246.db2.gz GRZKDBFMKQXWGV-MAUKXSAKSA-N 1 1 335.448 0.515 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001267696405 838285521 /nfs/dbraw/zinc/28/55/21/838285521.db2.gz FNCSVWQWGLAKFW-AWEZNQCLSA-N 1 1 344.419 0.721 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001267712220 838324761 /nfs/dbraw/zinc/32/47/61/838324761.db2.gz ORYXMXZMNFJGJO-LTIDMASMSA-N 1 1 349.475 0.857 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001267712220 838324769 /nfs/dbraw/zinc/32/47/69/838324769.db2.gz ORYXMXZMNFJGJO-LTIDMASMSA-N 1 1 349.475 0.857 20 30 ECEDMO CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001267733423 838425370 /nfs/dbraw/zinc/42/53/70/838425370.db2.gz OGHPTGZEURDTOL-HNNXBMFYSA-N 1 1 345.447 0.740 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001267740453 838440882 /nfs/dbraw/zinc/44/08/82/838440882.db2.gz GWTGZWRVHSUDBZ-MRXNPFEDSA-N 1 1 345.447 0.373 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001267740453 838440888 /nfs/dbraw/zinc/44/08/88/838440888.db2.gz GWTGZWRVHSUDBZ-MRXNPFEDSA-N 1 1 345.447 0.373 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001267758330 838484290 /nfs/dbraw/zinc/48/42/90/838484290.db2.gz ATHBFXUZORVKSE-STQMWFEESA-N 1 1 332.404 0.624 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001267758330 838484295 /nfs/dbraw/zinc/48/42/95/838484295.db2.gz ATHBFXUZORVKSE-STQMWFEESA-N 1 1 332.404 0.624 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001267758098 838484388 /nfs/dbraw/zinc/48/43/88/838484388.db2.gz JHXFUEILFUAREF-UHFFFAOYSA-N 1 1 331.420 0.367 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267761068 838488954 /nfs/dbraw/zinc/48/89/54/838488954.db2.gz AKUQGZJUCHPMPX-GJZGRUSLSA-N 1 1 326.462 0.613 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267761068 838488958 /nfs/dbraw/zinc/48/89/58/838488958.db2.gz AKUQGZJUCHPMPX-GJZGRUSLSA-N 1 1 326.462 0.613 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](N(C)C(=O)C#CC2CC2)C1 ZINC001267763481 838492460 /nfs/dbraw/zinc/49/24/60/838492460.db2.gz XRZSIHJNPQTSST-DOMZBBRYSA-N 1 1 346.431 0.309 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](N(C)C(=O)C#CC2CC2)C1 ZINC001267763481 838492461 /nfs/dbraw/zinc/49/24/61/838492461.db2.gz XRZSIHJNPQTSST-DOMZBBRYSA-N 1 1 346.431 0.309 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(C)nn(C)c2C)C1 ZINC001267766737 838500330 /nfs/dbraw/zinc/50/03/30/838500330.db2.gz ADLQLHXJEMVIOB-INIZCTEOSA-N 1 1 332.448 0.762 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)Cc2c(C)nn(C)c2C)C1 ZINC001267766737 838500336 /nfs/dbraw/zinc/50/03/36/838500336.db2.gz ADLQLHXJEMVIOB-INIZCTEOSA-N 1 1 332.448 0.762 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267767169 838502337 /nfs/dbraw/zinc/50/23/37/838502337.db2.gz HLUHBHLEVOWADE-CVEARBPZSA-N 1 1 349.479 0.279 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001267767226 838502839 /nfs/dbraw/zinc/50/28/39/838502839.db2.gz NJLNVYSDGMRMJG-GOEBONIOSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001267767226 838502846 /nfs/dbraw/zinc/50/28/46/838502846.db2.gz NJLNVYSDGMRMJG-GOEBONIOSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2cnn(C)c2C)C1 ZINC001267767969 838506099 /nfs/dbraw/zinc/50/60/99/838506099.db2.gz REUFUYCQTTZJKW-HOCLYGCPSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2cnn(C)c2C)C1 ZINC001267767969 838506103 /nfs/dbraw/zinc/50/61/03/838506103.db2.gz REUFUYCQTTZJKW-HOCLYGCPSA-N 1 1 347.463 0.494 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](OC)c2cnn(C)c2)C1 ZINC001267769308 838514850 /nfs/dbraw/zinc/51/48/50/838514850.db2.gz WQGWTSLJEZSMRK-HZPDHXFCSA-N 1 1 334.420 0.290 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](OC)c2cnn(C)c2)C1 ZINC001267769308 838514852 /nfs/dbraw/zinc/51/48/52/838514852.db2.gz WQGWTSLJEZSMRK-HZPDHXFCSA-N 1 1 334.420 0.290 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001267776863 838541513 /nfs/dbraw/zinc/54/15/13/838541513.db2.gz GLNVHJVPAFXRIV-ZBFHGGJFSA-N 1 1 330.432 0.697 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001267776863 838541516 /nfs/dbraw/zinc/54/15/16/838541516.db2.gz GLNVHJVPAFXRIV-ZBFHGGJFSA-N 1 1 330.432 0.697 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(C)c2C)C1 ZINC001267780902 838553589 /nfs/dbraw/zinc/55/35/89/838553589.db2.gz XPAXMPJJTCVHIH-HUUCEWRRSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(C)c2C)C1 ZINC001267780902 838553596 /nfs/dbraw/zinc/55/35/96/838553596.db2.gz XPAXMPJJTCVHIH-HUUCEWRRSA-N 1 1 345.447 0.403 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267783265 838557436 /nfs/dbraw/zinc/55/74/36/838557436.db2.gz HIUWXGSHBUFZDN-SJORKVTESA-N 1 1 349.475 0.816 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267783265 838557441 /nfs/dbraw/zinc/55/74/41/838557441.db2.gz HIUWXGSHBUFZDN-SJORKVTESA-N 1 1 349.475 0.816 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001267783464 838557546 /nfs/dbraw/zinc/55/75/46/838557546.db2.gz IXWYZKHWYDYOLY-PBHICJAKSA-N 1 1 325.453 0.761 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001267783464 838557551 /nfs/dbraw/zinc/55/75/51/838557551.db2.gz IXWYZKHWYDYOLY-PBHICJAKSA-N 1 1 325.453 0.761 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3nnnn3c2)C1 ZINC001267787737 838565218 /nfs/dbraw/zinc/56/52/18/838565218.db2.gz IZXWKKABYWAACW-OAHLLOKOSA-N 1 1 344.419 0.863 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001267787939 838565541 /nfs/dbraw/zinc/56/55/41/838565541.db2.gz NEOLFFRFSBGEMY-OAHLLOKOSA-N 1 1 330.432 0.917 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001267787939 838565546 /nfs/dbraw/zinc/56/55/46/838565546.db2.gz NEOLFFRFSBGEMY-OAHLLOKOSA-N 1 1 330.432 0.917 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001267786764 838566728 /nfs/dbraw/zinc/56/67/28/838566728.db2.gz PFMGWYNPVCLCNA-HUUCEWRRSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001267786764 838566734 /nfs/dbraw/zinc/56/67/34/838566734.db2.gz PFMGWYNPVCLCNA-HUUCEWRRSA-N 1 1 337.464 0.862 20 30 ECEDMO CC[C@@H](CNC(=O)CSCC#N)[NH2+]Cc1nnnn1C(C)(C)C ZINC001267795604 838575692 /nfs/dbraw/zinc/57/56/92/838575692.db2.gz FDYFTWOCDJUMIK-NSHDSACASA-N 1 1 339.469 0.669 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001267971020 838892657 /nfs/dbraw/zinc/89/26/57/838892657.db2.gz XBBALUJELQZYAF-IAGOWNOFSA-N 1 1 335.448 0.688 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001267971020 838892667 /nfs/dbraw/zinc/89/26/67/838892667.db2.gz XBBALUJELQZYAF-IAGOWNOFSA-N 1 1 335.448 0.688 20 30 ECEDMO COCC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCNC1=O)CC2 ZINC001267973701 838905735 /nfs/dbraw/zinc/90/57/35/838905735.db2.gz XXZSHJUJEOLGSB-INIZCTEOSA-N 1 1 347.459 0.477 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)c1cnn(C)n1)CC2 ZINC001267973991 838907773 /nfs/dbraw/zinc/90/77/73/838907773.db2.gz IMLYCYRVTALXGE-UHFFFAOYSA-N 1 1 346.435 0.045 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001268024744 839014699 /nfs/dbraw/zinc/01/46/99/839014699.db2.gz KUMPRCCGXXFGCS-ZIAGYGMSSA-N 1 1 337.420 0.307 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)COC(C)(C)C)CC2 ZINC001268044078 839200462 /nfs/dbraw/zinc/20/04/62/839200462.db2.gz WIVACGNJSSCZRL-UHFFFAOYSA-N 1 1 335.448 0.475 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N(CCNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001408907280 839287669 /nfs/dbraw/zinc/28/76/69/839287669.db2.gz SHJNPHHDDZLZGW-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 ZINC000177912928 529507358 /nfs/dbraw/zinc/50/73/58/529507358.db2.gz WSSWWDKBGDHEOX-AWEZNQCLSA-N 1 1 344.415 0.720 20 30 ECEDMO N#Cc1ccccc1N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000101587240 219143200 /nfs/dbraw/zinc/14/32/00/219143200.db2.gz UAEDPWGLBXKJLD-QGZVFWFLSA-N 1 1 330.432 0.373 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH+]1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000066879968 215090614 /nfs/dbraw/zinc/09/06/14/215090614.db2.gz MCDGBDPYFOEFEL-UHFFFAOYSA-N 1 1 343.493 0.933 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000329244344 285019523 /nfs/dbraw/zinc/01/95/23/285019523.db2.gz UKELCIRKTAJDDJ-WBVHZDCISA-N 1 1 341.452 0.893 20 30 ECEDMO COC(=O)[C@H]1CN(C)CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000411925751 208170448 /nfs/dbraw/zinc/17/04/48/208170448.db2.gz ZPZDGZOKYBOHMO-HNNXBMFYSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+](C)C1 ZINC000411925751 208170453 /nfs/dbraw/zinc/17/04/53/208170453.db2.gz ZPZDGZOKYBOHMO-HNNXBMFYSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411925751 208170458 /nfs/dbraw/zinc/17/04/58/208170458.db2.gz ZPZDGZOKYBOHMO-HNNXBMFYSA-N 1 1 344.415 0.923 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135414741 254499494 /nfs/dbraw/zinc/49/94/94/254499494.db2.gz QEDDRKQBUNRVGN-QGZVFWFLSA-N 1 1 335.452 0.921 20 30 ECEDMO Cn1cnnc1C1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000329406086 254606751 /nfs/dbraw/zinc/60/67/51/254606751.db2.gz BWROIGIYLVOXRK-UHFFFAOYSA-N 1 1 338.481 0.957 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425558898 254783357 /nfs/dbraw/zinc/78/33/57/254783357.db2.gz YGXDMRHDHHJQEN-XJKSGUPXSA-N 1 1 335.452 0.919 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)CC3(CCCC3)C2=O)CC1 ZINC000491069348 254895804 /nfs/dbraw/zinc/89/58/04/254895804.db2.gz VGSQFJFJTBNKIM-UHFFFAOYSA-N 1 1 331.416 0.725 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000491165039 254900212 /nfs/dbraw/zinc/90/02/12/254900212.db2.gz HXPNMZLXOHKSAV-UHFFFAOYSA-N 1 1 346.406 0.521 20 30 ECEDMO N#Cc1cnn2cc(C[N@@H+]3CC[C@@H](CN4CCOC4=O)C3)cnc12 ZINC000496405600 255097378 /nfs/dbraw/zinc/09/73/78/255097378.db2.gz JHAHSSQSUPOPGC-GFCCVEGCSA-N 1 1 326.360 0.875 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3nnc4c3CCCC4)C2)C1 ZINC001041685088 781990772 /nfs/dbraw/zinc/99/07/72/781990772.db2.gz FSFHNFXVOMANRA-GOSISDBHSA-N 1 1 327.432 0.715 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)N(CCC#N)CCOC)C[C@@H]1C ZINC000337096006 285397745 /nfs/dbraw/zinc/39/77/45/285397745.db2.gz QUPDUAXJRUKYID-GJZGRUSLSA-N 1 1 346.497 0.898 20 30 ECEDMO COCCCS(=O)(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000175046283 533301282 /nfs/dbraw/zinc/30/12/82/533301282.db2.gz DSPQRODGBXKKJR-UHFFFAOYSA-N 1 1 325.434 0.946 20 30 ECEDMO COCCCS(=O)(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000175046283 533301287 /nfs/dbraw/zinc/30/12/87/533301287.db2.gz DSPQRODGBXKKJR-UHFFFAOYSA-N 1 1 325.434 0.946 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC001041705522 782023485 /nfs/dbraw/zinc/02/34/85/782023485.db2.gz WAKTVZHGDLSOOD-LJQANCHMSA-N 1 1 342.443 0.912 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1C#N ZINC000284367932 264204771 /nfs/dbraw/zinc/20/47/71/264204771.db2.gz BVRGXIMYWHTTEV-CABCVRRESA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1C#N ZINC000284367932 264204772 /nfs/dbraw/zinc/20/47/72/264204772.db2.gz BVRGXIMYWHTTEV-CABCVRRESA-N 1 1 335.429 0.960 20 30 ECEDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000285835181 264343477 /nfs/dbraw/zinc/34/34/77/264343477.db2.gz HIAWACOIFYQBTC-YJBOKZPZSA-N 1 1 342.443 0.969 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)n1C ZINC000275860289 270005546 /nfs/dbraw/zinc/00/55/46/270005546.db2.gz FSIZDFBZBQXBOO-UHFFFAOYSA-N 1 1 326.360 0.613 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000528383659 270008284 /nfs/dbraw/zinc/00/82/84/270008284.db2.gz OLGYQJQYDUXZDN-CVEARBPZSA-N 1 1 344.415 0.788 20 30 ECEDMO CCN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)CCN2C1=O ZINC000363826584 266141665 /nfs/dbraw/zinc/14/16/65/266141665.db2.gz VYSBJBWTONNSNE-HUUCEWRRSA-N 1 1 328.372 0.560 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000337050645 266149826 /nfs/dbraw/zinc/14/98/26/266149826.db2.gz NFNOMTBOMLSFGK-KBPBESRZSA-N 1 1 333.440 0.101 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000352259617 266485797 /nfs/dbraw/zinc/48/57/97/266485797.db2.gz MQVJYBLGIGXDNI-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO C[C@](O)(CNC(=O)CNc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000358370400 267257767 /nfs/dbraw/zinc/25/77/67/267257767.db2.gz PTGHTFVIQXWFTP-KRWDZBQOSA-N 1 1 332.404 0.170 20 30 ECEDMO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000518445473 267283919 /nfs/dbraw/zinc/28/39/19/267283919.db2.gz MGUZSKIEBNUBAW-SNVBAGLBSA-N 1 1 329.451 0.375 20 30 ECEDMO N#Cc1cc2c(nc1N1CCC[C@H](N3CC[NH2+]CC3=O)C1)CCC2 ZINC000333913695 268023300 /nfs/dbraw/zinc/02/33/00/268023300.db2.gz MFAMPYNVJWKUPZ-HNNXBMFYSA-N 1 1 325.416 0.843 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000321112956 268201478 /nfs/dbraw/zinc/20/14/78/268201478.db2.gz GITRWISAEKRNJV-UHFFFAOYSA-N 1 1 343.836 0.947 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000372605932 268250241 /nfs/dbraw/zinc/25/02/41/268250241.db2.gz LUHSGSFISAMSRP-INIZCTEOSA-N 1 1 341.415 0.664 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000372605932 268250242 /nfs/dbraw/zinc/25/02/42/268250242.db2.gz LUHSGSFISAMSRP-INIZCTEOSA-N 1 1 341.415 0.664 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000369111692 268255215 /nfs/dbraw/zinc/25/52/15/268255215.db2.gz QXAPHDNFGJQFCF-JKSUJKDBSA-N 1 1 335.429 0.841 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000367176071 268263389 /nfs/dbraw/zinc/26/33/89/268263389.db2.gz GCPWAJLOLJOCSE-HOTGVXAUSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000367176071 268263391 /nfs/dbraw/zinc/26/33/91/268263391.db2.gz GCPWAJLOLJOCSE-HOTGVXAUSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccccc1OCC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340959033 268280483 /nfs/dbraw/zinc/28/04/83/268280483.db2.gz CVPZQCMIKRADSA-AWEZNQCLSA-N 1 1 330.388 0.393 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000491454401 275380182 /nfs/dbraw/zinc/38/01/82/275380182.db2.gz YNOAVYIGXCAHQZ-BRWVUGGUSA-N 1 1 334.464 0.888 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000331697121 275717272 /nfs/dbraw/zinc/71/72/72/275717272.db2.gz UYIOPWOLGDSOHA-LRDDRELGSA-N 1 1 349.435 0.446 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000330526937 276036799 /nfs/dbraw/zinc/03/67/99/276036799.db2.gz MJXNUGWANFDFNK-HYVNUMGLSA-N 1 1 348.451 0.548 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000330526937 276036800 /nfs/dbraw/zinc/03/68/00/276036800.db2.gz MJXNUGWANFDFNK-HYVNUMGLSA-N 1 1 348.451 0.548 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)n2ncc(C#N)c2N)CC1=O ZINC000113420334 276184428 /nfs/dbraw/zinc/18/44/28/276184428.db2.gz GMISJNQYQUNIBZ-YPMHNXCESA-N 1 1 330.392 0.310 20 30 ECEDMO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)CN1CC[NH+](C)CC1 ZINC000329571451 278159973 /nfs/dbraw/zinc/15/99/73/278159973.db2.gz MSLQBVXTFRUFTD-QKPAOTATSA-N 1 1 325.453 0.878 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451665732 279225701 /nfs/dbraw/zinc/22/57/01/279225701.db2.gz FRYCLLTZGGPYRA-KGLIPLIRSA-N 1 1 332.470 0.149 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)CC1(C#N)CCCC1 ZINC000341619050 289133063 /nfs/dbraw/zinc/13/30/63/289133063.db2.gz GRCLPBVWOMXXBX-UHFFFAOYSA-N 1 1 330.498 0.873 20 30 ECEDMO CN(CCCNS(=O)(=O)CC1(C#N)CCCC1)CC[NH+](C)C ZINC000341619050 289133064 /nfs/dbraw/zinc/13/30/64/289133064.db2.gz GRCLPBVWOMXXBX-UHFFFAOYSA-N 1 1 330.498 0.873 20 30 ECEDMO C[N@H+]1CCN(CCNS(=O)(=O)CC(C)(C)CC#N)CC1(C)C ZINC000451509573 290043580 /nfs/dbraw/zinc/04/35/80/290043580.db2.gz OESJNTZFQWLJKI-UHFFFAOYSA-N 1 1 330.498 0.872 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000451328649 293277764 /nfs/dbraw/zinc/27/77/64/293277764.db2.gz LJBUGVLDHNCXMN-JQFCIGGWSA-N 1 1 339.436 0.941 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)NCc1cccc(C#N)c1 ZINC000444676365 300247288 /nfs/dbraw/zinc/24/72/88/300247288.db2.gz ULLIRSNJUKKNCP-HNNXBMFYSA-N 1 1 344.459 0.951 20 30 ECEDMO Cn1c(=O)c(C#N)c(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)n(C)c1=O ZINC000074772740 436138737 /nfs/dbraw/zinc/13/87/37/436138737.db2.gz GCYXQEMIZCLSTI-CYBMUJFWSA-N 1 1 331.420 0.124 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000076299624 436199225 /nfs/dbraw/zinc/19/92/25/436199225.db2.gz AGCZAAJVDBOGLG-UHFFFAOYSA-N 1 1 333.363 0.987 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000076306659 436200950 /nfs/dbraw/zinc/20/09/50/436200950.db2.gz MBCSINFTKBNRGM-GFCCVEGCSA-N 1 1 333.363 0.844 20 30 ECEDMO CO[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000076344699 436203354 /nfs/dbraw/zinc/20/33/54/436203354.db2.gz NYKQJICFNUVQBD-AWEZNQCLSA-N 1 1 347.419 0.614 20 30 ECEDMO CCN(CCC#N)C(=O)CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000076902389 436218694 /nfs/dbraw/zinc/21/86/94/436218694.db2.gz MMYJBLZUDGSWME-UHFFFAOYSA-N 1 1 349.479 0.379 20 30 ECEDMO CCN(CCC#N)C(=O)CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000076902389 436218698 /nfs/dbraw/zinc/21/86/98/436218698.db2.gz MMYJBLZUDGSWME-UHFFFAOYSA-N 1 1 349.479 0.379 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[N@H+]1CCC[C@H](C)C1 ZINC000086446642 436394069 /nfs/dbraw/zinc/39/40/69/436394069.db2.gz LSBLHWTYUZRSPF-KBPBESRZSA-N 1 1 346.435 0.972 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)CC1 ZINC000091555812 436453130 /nfs/dbraw/zinc/45/31/30/436453130.db2.gz NPMKZTUSAYEZPP-CVEARBPZSA-N 1 1 349.479 0.409 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000049278276 436467745 /nfs/dbraw/zinc/46/77/45/436467745.db2.gz AZCBISBPMDDLOK-UHFFFAOYSA-N 1 1 329.404 0.250 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000047260226 436414932 /nfs/dbraw/zinc/41/49/32/436414932.db2.gz QIRKEQLKMSJVEO-ZDUSSCGKSA-N 1 1 345.403 0.744 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000047260226 436414936 /nfs/dbraw/zinc/41/49/36/436414936.db2.gz QIRKEQLKMSJVEO-ZDUSSCGKSA-N 1 1 345.403 0.744 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000089925886 436421286 /nfs/dbraw/zinc/42/12/86/436421286.db2.gz NHUMXMBTSPCILQ-TZMCWYRMSA-N 1 1 349.435 0.566 20 30 ECEDMO Cc1cc(NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)n(C)n1 ZINC000089942532 436421292 /nfs/dbraw/zinc/42/12/92/436421292.db2.gz NMKIELWWMJHRBA-UHFFFAOYSA-N 1 1 330.396 0.409 20 30 ECEDMO C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943104 436422155 /nfs/dbraw/zinc/42/21/55/436422155.db2.gz FMCPXYVTSPHYFM-SNVBAGLBSA-N 1 1 328.380 0.545 20 30 ECEDMO C[N@H+]1CCC[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000052589019 436510660 /nfs/dbraw/zinc/51/06/60/436510660.db2.gz VNKHSKTVDKTRMP-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO CNC(=O)NC(=O)[C@@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054454792 436552635 /nfs/dbraw/zinc/55/26/35/436552635.db2.gz BBDGEAOMJVPESO-CQSZACIVSA-N 1 1 343.431 0.910 20 30 ECEDMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054454792 436552642 /nfs/dbraw/zinc/55/26/42/436552642.db2.gz BBDGEAOMJVPESO-CQSZACIVSA-N 1 1 343.431 0.910 20 30 ECEDMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054454792 436552647 /nfs/dbraw/zinc/55/26/47/436552647.db2.gz BBDGEAOMJVPESO-CQSZACIVSA-N 1 1 343.431 0.910 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)n2ncc(C#N)c2N)CC1=O ZINC000113420328 436638154 /nfs/dbraw/zinc/63/81/54/436638154.db2.gz GMISJNQYQUNIBZ-DGCLKSJQSA-N 1 1 330.392 0.310 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(C#N)nc1 ZINC000115355905 436646415 /nfs/dbraw/zinc/64/64/15/436646415.db2.gz ZVGKEHWDUXORFE-HNNXBMFYSA-N 1 1 329.404 0.626 20 30 ECEDMO C[N@@H+](CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C1CC1 ZINC000546187743 302245644 /nfs/dbraw/zinc/24/56/44/302245644.db2.gz GPUGPIJHXOVHRX-UHFFFAOYSA-N 1 1 328.420 0.879 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000115882645 436648263 /nfs/dbraw/zinc/64/82/63/436648263.db2.gz NCMQUOXYILQIOM-UHFFFAOYSA-N 1 1 344.415 0.802 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000115882601 436648797 /nfs/dbraw/zinc/64/87/97/436648797.db2.gz MHVQGVOPSYMDFN-UHFFFAOYSA-N 1 1 344.415 0.802 20 30 ECEDMO CCS(=O)(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000066879902 436697748 /nfs/dbraw/zinc/69/77/48/436697748.db2.gz BMEFUAIMAWYREH-ZDUSSCGKSA-N 1 1 344.481 0.493 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)CC1 ZINC000274291616 436813224 /nfs/dbraw/zinc/81/32/24/436813224.db2.gz PZHYWUQSEHPEMG-UHFFFAOYSA-N 1 1 329.400 0.218 20 30 ECEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000248942831 436813341 /nfs/dbraw/zinc/81/33/41/436813341.db2.gz ADDRYIWXYASWBW-LSDHHAIUSA-N 1 1 334.482 0.686 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1)C1CC1 ZINC000245814747 436768799 /nfs/dbraw/zinc/76/87/99/436768799.db2.gz REZLKHFTGNTGJZ-FUHWJXTLSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1CN1CCOCC1)C1CC1 ZINC000245814747 436768801 /nfs/dbraw/zinc/76/88/01/436768801.db2.gz REZLKHFTGNTGJZ-FUHWJXTLSA-N 1 1 334.464 0.982 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@H](C#N)C2)CC1=O ZINC000247609178 436795720 /nfs/dbraw/zinc/79/57/20/436795720.db2.gz MCNNYKWQESLZQX-RRFJBIMHSA-N 1 1 334.420 0.070 20 30 ECEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000127401377 436801254 /nfs/dbraw/zinc/80/12/54/436801254.db2.gz NCNJDGABGYZCQM-CQSZACIVSA-N 1 1 328.416 0.753 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000293218038 436856950 /nfs/dbraw/zinc/85/69/50/436856950.db2.gz BOMJVGCAPCSXQL-UHFFFAOYSA-N 1 1 331.420 0.790 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)nc1 ZINC000293335657 436868189 /nfs/dbraw/zinc/86/81/89/436868189.db2.gz JRNYCYWPZHMLJW-UHFFFAOYSA-N 1 1 332.404 0.879 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000293877551 436915494 /nfs/dbraw/zinc/91/54/94/436915494.db2.gz CJFSBTKMSMQYDC-UHFFFAOYSA-N 1 1 338.411 0.977 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000293901214 436918140 /nfs/dbraw/zinc/91/81/40/436918140.db2.gz FEWQIDBADLKUQG-KFWWJZLASA-N 1 1 333.432 0.621 20 30 ECEDMO COCC[NH+]1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1 ZINC000280847030 436925840 /nfs/dbraw/zinc/92/58/40/436925840.db2.gz WDQSHWYTPCFHPC-UHFFFAOYSA-N 1 1 346.431 0.999 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000280339063 436882091 /nfs/dbraw/zinc/88/20/91/436882091.db2.gz WBLGXCFSHSRYEJ-UHFFFAOYSA-N 1 1 347.440 0.590 20 30 ECEDMO CN1CCC[C@@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000133905511 436886277 /nfs/dbraw/zinc/88/62/77/436886277.db2.gz PNGUNXCRCACJSW-ZIAGYGMSSA-N 1 1 337.468 0.961 20 30 ECEDMO C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@H]1CN(C)CCN1C ZINC000261818788 436890319 /nfs/dbraw/zinc/89/03/19/436890319.db2.gz UFIRDRRBYPEYKG-AWEZNQCLSA-N 1 1 338.525 0.713 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275401719 436963892 /nfs/dbraw/zinc/96/38/92/436963892.db2.gz RRCPWQPLRNKQKO-HZPDHXFCSA-N 1 1 342.399 0.125 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)nc1 ZINC000275443424 436968970 /nfs/dbraw/zinc/96/89/70/436968970.db2.gz GCUNTSKNAOWMFT-CQSZACIVSA-N 1 1 330.432 0.726 20 30 ECEDMO Cc1nc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1C#N ZINC000263641759 436971134 /nfs/dbraw/zinc/97/11/34/436971134.db2.gz ASTMRPUXDHEFGP-MRXNPFEDSA-N 1 1 343.431 0.934 20 30 ECEDMO C[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CC[NH+](C)CC1 ZINC000263683921 436977252 /nfs/dbraw/zinc/97/72/52/436977252.db2.gz OGTBMENPDZSTRM-HNNXBMFYSA-N 1 1 342.447 0.238 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000165481440 436935102 /nfs/dbraw/zinc/93/51/02/436935102.db2.gz OWFOFZBRHVQLRX-MRXNPFEDSA-N 1 1 349.456 0.629 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000165481440 436935107 /nfs/dbraw/zinc/93/51/07/436935107.db2.gz OWFOFZBRHVQLRX-MRXNPFEDSA-N 1 1 349.456 0.629 20 30 ECEDMO CNC(=O)CC[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000170780975 436953461 /nfs/dbraw/zinc/95/34/61/436953461.db2.gz WVZGRSMPEHVUOZ-UHFFFAOYSA-N 1 1 340.387 0.750 20 30 ECEDMO CNC(=O)CC[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000170780975 436953463 /nfs/dbraw/zinc/95/34/63/436953463.db2.gz WVZGRSMPEHVUOZ-UHFFFAOYSA-N 1 1 340.387 0.750 20 30 ECEDMO N#C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CCO1 ZINC000264423869 437027127 /nfs/dbraw/zinc/02/71/27/437027127.db2.gz VEWPNVKECOTGGF-IAGOWNOFSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000296914898 436998738 /nfs/dbraw/zinc/99/87/38/436998738.db2.gz OALNLIIBDKMHFD-UHFFFAOYSA-N 1 1 344.341 0.777 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCCNC(=O)c1ccc(OC)cc1 ZINC000296988309 437000453 /nfs/dbraw/zinc/00/04/53/437000453.db2.gz SLVAEDJADZBBKW-UHFFFAOYSA-N 1 1 346.431 0.679 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000298536216 437041613 /nfs/dbraw/zinc/04/16/13/437041613.db2.gz JIDBANUCLUMEQN-KRWDZBQOSA-N 1 1 342.443 0.986 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000264672554 437062841 /nfs/dbraw/zinc/06/28/41/437062841.db2.gz BFYCRANGWVTSGC-ZDUSSCGKSA-N 1 1 349.822 0.512 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000299434471 437078027 /nfs/dbraw/zinc/07/80/27/437078027.db2.gz CLWNTZBJVABMNO-UHFFFAOYSA-N 1 1 345.403 0.899 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000286408995 437091178 /nfs/dbraw/zinc/09/11/78/437091178.db2.gz FGTCXMGAKZUMGB-CYBMUJFWSA-N 1 1 343.493 0.325 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000286408995 437091184 /nfs/dbraw/zinc/09/11/84/437091184.db2.gz FGTCXMGAKZUMGB-CYBMUJFWSA-N 1 1 343.493 0.325 20 30 ECEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000302961080 437152750 /nfs/dbraw/zinc/15/27/50/437152750.db2.gz LIRQVVJKAAANDD-RTBURBONSA-N 1 1 344.459 0.562 20 30 ECEDMO C[C@H](CO)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000305789149 437164630 /nfs/dbraw/zinc/16/46/30/437164630.db2.gz STWMOQBWAKEOIJ-ZIAGYGMSSA-N 1 1 336.461 0.770 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)nc1 ZINC000301721861 437131390 /nfs/dbraw/zinc/13/13/90/437131390.db2.gz NFLKWBDTXFQBLN-SJORKVTESA-N 1 1 342.443 0.870 20 30 ECEDMO CC(=O)N1CCN(C(=O)[C@@H](C)O[NH+]=C(N)CCc2ccccc2)CC1 ZINC000178152600 437207256 /nfs/dbraw/zinc/20/72/56/437207256.db2.gz AGQGDGSYOZSAGD-CQSZACIVSA-N 1 1 346.431 0.987 20 30 ECEDMO CN1CC[NH+](Cc2ccc(C(=O)N3CCO[C@H](C#N)C3)cc2)CC1 ZINC000332191317 437209094 /nfs/dbraw/zinc/20/90/94/437209094.db2.gz PMHGZFZXAPKMKU-QGZVFWFLSA-N 1 1 328.416 0.799 20 30 ECEDMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)N(C)C[C@H](C)C#N ZINC000266132334 437221388 /nfs/dbraw/zinc/22/13/88/437221388.db2.gz RPJPFZFJJMEFOH-TZMCWYRMSA-N 1 1 325.438 0.992 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000266680271 437229657 /nfs/dbraw/zinc/22/96/57/437229657.db2.gz PEHYMMULJHDKQP-UHFFFAOYSA-N 1 1 348.403 0.590 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000328012694 437234769 /nfs/dbraw/zinc/23/47/69/437234769.db2.gz QHWLRRCJHMVFRN-UHFFFAOYSA-N 1 1 338.429 0.636 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC2(CO)COC2)C[C@H](C)O1 ZINC000328624976 437241733 /nfs/dbraw/zinc/24/17/33/437241733.db2.gz ZZICKDNWLBJIJE-BETUJISGSA-N 1 1 329.441 0.387 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC2(CO)COC2)C[C@H](C)O1 ZINC000328624976 437241735 /nfs/dbraw/zinc/24/17/35/437241735.db2.gz ZZICKDNWLBJIJE-BETUJISGSA-N 1 1 329.441 0.387 20 30 ECEDMO C#CC[N@@H+](CC)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000266881005 437260681 /nfs/dbraw/zinc/26/06/81/437260681.db2.gz ABOYPUPZJSGLLY-UHFFFAOYSA-N 1 1 337.445 0.338 20 30 ECEDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCCn2cnc(C#N)n2)C1 ZINC000287970825 437261882 /nfs/dbraw/zinc/26/18/82/437261882.db2.gz VSXAHHNQDSAGCM-UHFFFAOYSA-N 1 1 339.403 0.676 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C#N)nc1 ZINC000288282250 437304889 /nfs/dbraw/zinc/30/48/89/437304889.db2.gz FFGOBPOYECBBOH-UHFFFAOYSA-N 1 1 325.438 0.115 20 30 ECEDMO CN(CCCNS(=O)(=O)c1ccc(C#N)nc1)CC[NH+](C)C ZINC000288282250 437304895 /nfs/dbraw/zinc/30/48/95/437304895.db2.gz FFGOBPOYECBBOH-UHFFFAOYSA-N 1 1 325.438 0.115 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000336897454 437306731 /nfs/dbraw/zinc/30/67/31/437306731.db2.gz OMOQIBOAZUCSGJ-SOUVJXGZSA-N 1 1 346.497 0.802 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000336897454 437306736 /nfs/dbraw/zinc/30/67/36/437306736.db2.gz OMOQIBOAZUCSGJ-SOUVJXGZSA-N 1 1 346.497 0.802 20 30 ECEDMO C=CCNC(=O)CNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000181211429 437312067 /nfs/dbraw/zinc/31/20/67/437312067.db2.gz JLWDMCLVZRUWHU-STQMWFEESA-N 1 1 326.441 0.476 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000336953926 437318931 /nfs/dbraw/zinc/31/89/31/437318931.db2.gz XAULBAVCIFRHMY-OLZOCXBDSA-N 1 1 330.454 0.308 20 30 ECEDMO C[C@@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)n1cnc(C#N)n1 ZINC000336972176 437319719 /nfs/dbraw/zinc/31/97/19/437319719.db2.gz QFIWNABBOXHJIL-LBPRGKRZSA-N 1 1 327.392 0.926 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](C(=O)NC)[C@@H](c3cnn(C)c3)C2)C1=O ZINC000329113126 437321129 /nfs/dbraw/zinc/32/11/29/437321129.db2.gz HHRRTLUHOWOYNT-ILXRZTDVSA-N 1 1 331.420 0.809 20 30 ECEDMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000329133786 437321838 /nfs/dbraw/zinc/32/18/38/437321838.db2.gz ZEYNMNYYQSBBKA-MRVWCRGKSA-N 1 1 344.481 0.397 20 30 ECEDMO CC(=O)N1CC[C@H](CN(C)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000328873177 437276698 /nfs/dbraw/zinc/27/66/98/437276698.db2.gz YSWUXLICNQKGTI-GOEBONIOSA-N 1 1 340.468 0.669 20 30 ECEDMO N#Cc1nnc2ccccc2c1N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333879222 437289615 /nfs/dbraw/zinc/28/96/15/437289615.db2.gz DCLHGKYWDXHSFZ-CYBMUJFWSA-N 1 1 336.399 0.902 20 30 ECEDMO CN(C)c1[nH+]cc(CNS(=O)(=O)Cc2ccc(C#N)cc2)n1C ZINC000288220056 437295538 /nfs/dbraw/zinc/29/55/38/437295538.db2.gz DSYJIACVBZUNKV-UHFFFAOYSA-N 1 1 333.417 0.977 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000334086240 437297005 /nfs/dbraw/zinc/29/70/05/437297005.db2.gz BRFPWLGPTXENKE-CZUORRHYSA-N 1 1 338.452 0.477 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000329006541 437300130 /nfs/dbraw/zinc/30/01/30/437300130.db2.gz ZBMIIYLEPPFQCN-GVDBMIGSSA-N 1 1 333.432 0.909 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000329005401 437301392 /nfs/dbraw/zinc/30/13/92/437301392.db2.gz YQDUDOYQHRFPBJ-MELADBBJSA-N 1 1 346.497 0.739 20 30 ECEDMO CC[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000329312908 437351953 /nfs/dbraw/zinc/35/19/53/437351953.db2.gz GPZJQDWCCAHOSO-IUODEOHRSA-N 1 1 334.424 0.243 20 30 ECEDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329345981 437355698 /nfs/dbraw/zinc/35/56/98/437355698.db2.gz REHUYDWWXQHXBP-XJKCOSOUSA-N 1 1 348.451 0.489 20 30 ECEDMO CC[N@@H+](CCOCCO)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000337439403 437359448 /nfs/dbraw/zinc/35/94/48/437359448.db2.gz LIKGNZCFKLVCGP-MRXNPFEDSA-N 1 1 340.468 0.010 20 30 ECEDMO CC[N@@H+](CCO)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000182750754 437363423 /nfs/dbraw/zinc/36/34/23/437363423.db2.gz YTBQFOSBNBMLSZ-QGZVFWFLSA-N 1 1 348.422 0.849 20 30 ECEDMO C[C@](O)(CNC(=O)Nc1cccc2c1OCO2)C[NH+]1CCOCC1 ZINC000329422128 437367592 /nfs/dbraw/zinc/36/75/92/437367592.db2.gz DXSWGFYGACSWNI-INIZCTEOSA-N 1 1 337.376 0.824 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000182947811 437369139 /nfs/dbraw/zinc/36/91/39/437369139.db2.gz FBGAABCGQHWHDE-AWEZNQCLSA-N 1 1 326.441 0.213 20 30 ECEDMO C[C@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000329506510 437375801 /nfs/dbraw/zinc/37/58/01/437375801.db2.gz LNUUQIDFTLXEGB-GXTWGEPZSA-N 1 1 344.481 0.564 20 30 ECEDMO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000329183107 437329423 /nfs/dbraw/zinc/32/94/23/437329423.db2.gz NWCMEAIPVDKDBH-ILXRZTDVSA-N 1 1 348.451 0.692 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CCCSC2)CC1 ZINC000329241087 437339486 /nfs/dbraw/zinc/33/94/86/437339486.db2.gz NEKNOOYEBHZEHQ-CYBMUJFWSA-N 1 1 328.482 0.797 20 30 ECEDMO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)CC[N@H+]1C[C@@H](C)O ZINC000329735307 437407151 /nfs/dbraw/zinc/40/71/51/437407151.db2.gz KVVBIHUOPGFKLM-MGPQQGTHSA-N 1 1 335.452 0.958 20 30 ECEDMO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CC[N@@H+]1C[C@@H](C)O ZINC000329735307 437407154 /nfs/dbraw/zinc/40/71/54/437407154.db2.gz KVVBIHUOPGFKLM-MGPQQGTHSA-N 1 1 335.452 0.958 20 30 ECEDMO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CC[N@H+]1C[C@@H](C)O ZINC000329735307 437407156 /nfs/dbraw/zinc/40/71/56/437407156.db2.gz KVVBIHUOPGFKLM-MGPQQGTHSA-N 1 1 335.452 0.958 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268441764 437418578 /nfs/dbraw/zinc/41/85/78/437418578.db2.gz DDAMXQMKNVKQAZ-UHFFFAOYSA-N 1 1 331.376 0.560 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268441764 437418581 /nfs/dbraw/zinc/41/85/81/437418581.db2.gz DDAMXQMKNVKQAZ-UHFFFAOYSA-N 1 1 331.376 0.560 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCOCCC#N)C1 ZINC000338956167 437428384 /nfs/dbraw/zinc/42/83/84/437428384.db2.gz HGDONRXDQABQMY-CQSZACIVSA-N 1 1 325.409 0.650 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCOCCC#N)C1 ZINC000338956167 437428388 /nfs/dbraw/zinc/42/83/88/437428388.db2.gz HGDONRXDQABQMY-CQSZACIVSA-N 1 1 325.409 0.650 20 30 ECEDMO C[C@@H]1CN(C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)CCS1(=O)=O ZINC000329905835 437429163 /nfs/dbraw/zinc/42/91/63/437429163.db2.gz JTVAQCHDHDCFJK-VXGBXAGGSA-N 1 1 326.422 0.478 20 30 ECEDMO CCC[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@@H+]1CCOC ZINC000337758918 437378811 /nfs/dbraw/zinc/37/88/11/437378811.db2.gz JAVDLJHPNYBONJ-HUUCEWRRSA-N 1 1 346.497 0.898 20 30 ECEDMO CCC[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@H+]1CCOC ZINC000337758918 437378815 /nfs/dbraw/zinc/37/88/15/437378815.db2.gz JAVDLJHPNYBONJ-HUUCEWRRSA-N 1 1 346.497 0.898 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000329921380 437430832 /nfs/dbraw/zinc/43/08/32/437430832.db2.gz SPVLDWSHGICZEJ-VIFPVBQESA-N 1 1 332.330 1.067 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000289104280 437383296 /nfs/dbraw/zinc/38/32/96/437383296.db2.gz HMEWCWQVOMSKAX-CVEARBPZSA-N 1 1 335.429 0.793 20 30 ECEDMO COC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)[C@H]1CCCO1 ZINC000329610282 437391522 /nfs/dbraw/zinc/39/15/22/437391522.db2.gz NTCMBYJYRJWFFS-QKPAOTATSA-N 1 1 341.452 0.889 20 30 ECEDMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000329658873 437399323 /nfs/dbraw/zinc/39/93/23/437399323.db2.gz HKOBCAWUZVSYCM-QWHCGFSZSA-N 1 1 333.454 0.130 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000329658873 437399327 /nfs/dbraw/zinc/39/93/27/437399327.db2.gz HKOBCAWUZVSYCM-QWHCGFSZSA-N 1 1 333.454 0.130 20 30 ECEDMO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(c3ccccc3C#N)CC2)C1 ZINC000338237066 437401092 /nfs/dbraw/zinc/40/10/92/437401092.db2.gz YAYUPRPDRCURNM-OAHLLOKOSA-N 1 1 348.472 0.962 20 30 ECEDMO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)C1 ZINC000330209458 437470126 /nfs/dbraw/zinc/47/01/26/437470126.db2.gz HQZOKXLXOYMELG-HIFRSBDPSA-N 1 1 344.481 0.352 20 30 ECEDMO O=C(NCCS(=O)(=O)N1CCSCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330232292 437471393 /nfs/dbraw/zinc/47/13/93/437471393.db2.gz RNSIUJPOBLUBFE-CYBMUJFWSA-N 1 1 347.506 0.948 20 30 ECEDMO O=C(NCCS(=O)(=O)N1CCSCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330232292 437471395 /nfs/dbraw/zinc/47/13/95/437471395.db2.gz RNSIUJPOBLUBFE-CYBMUJFWSA-N 1 1 347.506 0.948 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000329940658 437434777 /nfs/dbraw/zinc/43/47/77/437434777.db2.gz BSTBVGXOJQBIPD-CYBMUJFWSA-N 1 1 337.472 1.385 20 30 ECEDMO CCN1CCN(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1=O ZINC000329976804 437439746 /nfs/dbraw/zinc/43/97/46/437439746.db2.gz FPHHOGUHECIFSU-AWEZNQCLSA-N 1 1 325.457 0.091 20 30 ECEDMO CS(=O)(=O)c1nccn1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000330014468 437446121 /nfs/dbraw/zinc/44/61/21/437446121.db2.gz NAZQAKQITXZTDX-UHFFFAOYSA-N 1 1 326.422 0.870 20 30 ECEDMO C=C[C@H](CO)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000290077085 437461080 /nfs/dbraw/zinc/46/10/80/437461080.db2.gz ONDUDEUNCPJGMX-UKRRQHHQSA-N 1 1 347.415 0.681 20 30 ECEDMO CC[C@H](NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)C(=O)N1CCOCC1 ZINC000330198703 437468411 /nfs/dbraw/zinc/46/84/11/437468411.db2.gz UKRTYFSREASMRF-YOEHRIQHSA-N 1 1 338.452 0.565 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC(S(N)(=O)=O)CC2)C1 ZINC000330384542 437496632 /nfs/dbraw/zinc/49/66/32/437496632.db2.gz ZKEKGBCPPCWRJF-ZDUSSCGKSA-N 1 1 346.497 0.631 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cnc(C)s2)CC1 ZINC000330451803 437515653 /nfs/dbraw/zinc/51/56/53/437515653.db2.gz AMYVIRDVIFQGJD-UHFFFAOYSA-N 1 1 325.438 0.666 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ncc(OC)s2)CC1 ZINC000330487055 437529876 /nfs/dbraw/zinc/52/98/76/437529876.db2.gz GEXOLXITIWVJFG-UHFFFAOYSA-N 1 1 327.410 0.688 20 30 ECEDMO CNS(=O)(=O)NC1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000330497498 437531975 /nfs/dbraw/zinc/53/19/75/437531975.db2.gz ZPZZVOCKOJMOJT-UHFFFAOYSA-N 1 1 338.433 0.585 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000188156542 437532346 /nfs/dbraw/zinc/53/23/46/437532346.db2.gz WAQFSEVYTKJWPZ-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000188156542 437532350 /nfs/dbraw/zinc/53/23/50/437532350.db2.gz WAQFSEVYTKJWPZ-UHFFFAOYSA-N 1 1 334.351 0.474 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2[nH+]ccn2C)CC1 ZINC000330523836 437536615 /nfs/dbraw/zinc/53/66/15/437536615.db2.gz PKBGMLXEUWFDQD-RHSMWYFYSA-N 1 1 332.452 0.985 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc(C#N)cc2)CC1=O ZINC000354136735 437539580 /nfs/dbraw/zinc/53/95/80/437539580.db2.gz DAHPHSLWZQHFFR-MRXNPFEDSA-N 1 1 344.415 0.467 20 30 ECEDMO C=C[C@@H](CO)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000290461165 437490398 /nfs/dbraw/zinc/49/03/98/437490398.db2.gz CJHPJGNCEWOLDR-LBPRGKRZSA-N 1 1 327.425 0.639 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)C1 ZINC000330540213 437544543 /nfs/dbraw/zinc/54/45/43/437544543.db2.gz HDLKBJOLRCMGMK-AVGNSLFASA-N 1 1 328.457 0.855 20 30 ECEDMO CO[C@H]1C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C)N(C)C1 ZINC000330540213 437544547 /nfs/dbraw/zinc/54/45/47/437544547.db2.gz HDLKBJOLRCMGMK-AVGNSLFASA-N 1 1 328.457 0.855 20 30 ECEDMO CO[C@H]1C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C)N(C)C1 ZINC000330540213 437544548 /nfs/dbraw/zinc/54/45/48/437544548.db2.gz HDLKBJOLRCMGMK-AVGNSLFASA-N 1 1 328.457 0.855 20 30 ECEDMO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000330547732 437546270 /nfs/dbraw/zinc/54/62/70/437546270.db2.gz QNKOAATWHANPIG-XDQVBPFNSA-N 1 1 327.425 0.677 20 30 ECEDMO CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000330547732 437546278 /nfs/dbraw/zinc/54/62/78/437546278.db2.gz QNKOAATWHANPIG-XDQVBPFNSA-N 1 1 327.425 0.677 20 30 ECEDMO C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000330625598 437571267 /nfs/dbraw/zinc/57/12/67/437571267.db2.gz HSDDCGGHMUCMCO-IAGOWNOFSA-N 1 1 335.496 0.706 20 30 ECEDMO C[C@@H](O)C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000291286326 437577165 /nfs/dbraw/zinc/57/71/65/437577165.db2.gz QSZFSHORICDJDF-RHSMWYFYSA-N 1 1 348.422 0.847 20 30 ECEDMO CC1=CC[N@@H+](CCNC(=O)C(=O)NCc2cccc(C#N)c2)CC1 ZINC000340149950 437585288 /nfs/dbraw/zinc/58/52/88/437585288.db2.gz WGOSZHTUACHQTI-UHFFFAOYSA-N 1 1 326.400 0.943 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2CCOCC2)CC1 ZINC000330684205 437589012 /nfs/dbraw/zinc/58/90/12/437589012.db2.gz PWTMYQBOVVATJP-UHFFFAOYSA-N 1 1 326.441 0.469 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000330695850 437591174 /nfs/dbraw/zinc/59/11/74/437591174.db2.gz JITZVFXHVMZRAJ-CQSZACIVSA-N 1 1 326.441 0.421 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000343737075 437643476 /nfs/dbraw/zinc/64/34/76/437643476.db2.gz HYKURBXDVORABX-HIFRSBDPSA-N 1 1 334.464 0.494 20 30 ECEDMO C=CC[N@@H+](CCOC)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000191127447 437645724 /nfs/dbraw/zinc/64/57/24/437645724.db2.gz MRPHIGDWPJVKKT-UHFFFAOYSA-N 1 1 333.436 0.650 20 30 ECEDMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292047885 437654296 /nfs/dbraw/zinc/65/42/96/437654296.db2.gz BAKXLYRREDKROL-WCQYABFASA-N 1 1 332.360 0.084 20 30 ECEDMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292047885 437654302 /nfs/dbraw/zinc/65/43/02/437654302.db2.gz BAKXLYRREDKROL-WCQYABFASA-N 1 1 332.360 0.084 20 30 ECEDMO COC(=O)[C@@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000331008701 437670049 /nfs/dbraw/zinc/67/00/49/437670049.db2.gz IJZGCLNVBSBAHZ-UONOGXRCSA-N 1 1 327.425 0.754 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000192741662 437687175 /nfs/dbraw/zinc/68/71/75/437687175.db2.gz FAGVINDCTPFISA-CABCVRRESA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1CC[N@H+]1CCOC[C@@H]1C ZINC000192741662 437687180 /nfs/dbraw/zinc/68/71/80/437687180.db2.gz FAGVINDCTPFISA-CABCVRRESA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCN1CCOC[C@@H]1C ZINC000192741662 437687184 /nfs/dbraw/zinc/68/71/84/437687184.db2.gz FAGVINDCTPFISA-CABCVRRESA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCN1CCOC[C@@H]1C ZINC000192741662 437687190 /nfs/dbraw/zinc/68/71/90/437687190.db2.gz FAGVINDCTPFISA-CABCVRRESA-N 1 1 330.436 0.579 20 30 ECEDMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(C#N)c(F)c3)[C@H]2C1 ZINC000292457894 437692111 /nfs/dbraw/zinc/69/21/11/437692111.db2.gz YOIIHHINWPGMJY-GJZGRUSLSA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(C#N)c(F)c3)[C@H]2C1 ZINC000292457894 437692118 /nfs/dbraw/zinc/69/21/18/437692118.db2.gz YOIIHHINWPGMJY-GJZGRUSLSA-N 1 1 339.392 0.791 20 30 ECEDMO COc1c(CNC(=O)N2CCC([N@@H+](C)CCO)CC2)c(C)nn1C ZINC000331166508 437704617 /nfs/dbraw/zinc/70/46/17/437704617.db2.gz MJWPBUJHXPLAAL-UHFFFAOYSA-N 1 1 339.440 0.540 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000340755342 437723541 /nfs/dbraw/zinc/72/35/41/437723541.db2.gz IEVUNRLVVUDATA-OLZOCXBDSA-N 1 1 327.450 0.985 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC[N@H+]1CC(C)(C)O ZINC000331242210 437725154 /nfs/dbraw/zinc/72/51/54/437725154.db2.gz YDMLFCPEHLDHFI-FRRDWIJNSA-N 1 1 342.440 0.760 20 30 ECEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000331297192 437736021 /nfs/dbraw/zinc/73/60/21/437736021.db2.gz UMMFPFQTSVJWDQ-MJBXVCDLSA-N 1 1 346.497 0.631 20 30 ECEDMO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC(=O)N1C ZINC000331304113 437736580 /nfs/dbraw/zinc/73/65/80/437736580.db2.gz YAEYRTFNAYAGDT-NEPJUHHUSA-N 1 1 325.413 0.453 20 30 ECEDMO C[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC[N@H+]1CC(C)(C)O ZINC000331305484 437736913 /nfs/dbraw/zinc/73/69/13/437736913.db2.gz UYBOTIIGHLPPEI-CYBMUJFWSA-N 1 1 331.420 0.669 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)nn1CCC#N ZINC000344441438 437753811 /nfs/dbraw/zinc/75/38/11/437753811.db2.gz LJCGPLGBZQAKBE-CHWSQXEVSA-N 1 1 332.408 0.643 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[N@H+](CC)CCO2)n1 ZINC000364781600 437822965 /nfs/dbraw/zinc/82/29/65/437822965.db2.gz VFFFUBJHKZHCDY-INIZCTEOSA-N 1 1 334.420 0.212 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)n1 ZINC000364781600 437822973 /nfs/dbraw/zinc/82/29/73/437822973.db2.gz VFFFUBJHKZHCDY-INIZCTEOSA-N 1 1 334.420 0.212 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1=O ZINC000363681786 437804783 /nfs/dbraw/zinc/80/47/83/437804783.db2.gz FIOLNGZGTCIHEM-GFCCVEGCSA-N 1 1 348.403 0.096 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364251108 437812669 /nfs/dbraw/zinc/81/26/69/437812669.db2.gz HUCXEPZQSKCVIE-CYBMUJFWSA-N 1 1 325.409 0.658 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364251108 437812672 /nfs/dbraw/zinc/81/26/72/437812672.db2.gz HUCXEPZQSKCVIE-CYBMUJFWSA-N 1 1 325.409 0.658 20 30 ECEDMO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)nn1 ZINC000346533264 437813237 /nfs/dbraw/zinc/81/32/37/437813237.db2.gz NLKRKCOBYCJYBG-NWDGAFQWSA-N 1 1 346.391 0.262 20 30 ECEDMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)nn1 ZINC000346533264 437813242 /nfs/dbraw/zinc/81/32/42/437813242.db2.gz NLKRKCOBYCJYBG-NWDGAFQWSA-N 1 1 346.391 0.262 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000341521942 437858723 /nfs/dbraw/zinc/85/87/23/437858723.db2.gz CMULRZYQYCGDME-UHFFFAOYSA-N 1 1 346.431 0.883 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366225070 438039504 /nfs/dbraw/zinc/03/95/04/438039504.db2.gz RKVVYXALZMTIOJ-AWEZNQCLSA-N 1 1 330.454 0.121 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000427717548 438084180 /nfs/dbraw/zinc/08/41/80/438084180.db2.gz CKWBYUGJPMTRTN-KGLIPLIRSA-N 1 1 332.466 0.545 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C)[C@@H](C#N)C3)C2)CC1 ZINC000372224071 438052530 /nfs/dbraw/zinc/05/25/30/438052530.db2.gz WDPICRVXKZJABI-ZBFHGGJFSA-N 1 1 334.468 0.004 20 30 ECEDMO CN1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H]1C#N ZINC000372224071 438052535 /nfs/dbraw/zinc/05/25/35/438052535.db2.gz WDPICRVXKZJABI-ZBFHGGJFSA-N 1 1 334.468 0.004 20 30 ECEDMO CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)C(C)C ZINC000348814227 438105327 /nfs/dbraw/zinc/10/53/27/438105327.db2.gz SLEOPBGZMQFJOI-UHFFFAOYSA-N 1 1 334.424 0.890 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358211498 438181710 /nfs/dbraw/zinc/18/17/10/438181710.db2.gz QXQOABAYCBJJQW-ZIAGYGMSSA-N 1 1 329.466 0.576 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)C1=O ZINC000374052446 438184400 /nfs/dbraw/zinc/18/44/00/438184400.db2.gz QNPZPRRBGADAAP-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@@H](O)COCC(C)C)CC2)c1C#N ZINC000349915207 438189571 /nfs/dbraw/zinc/18/95/71/438189571.db2.gz UQWAAWVXAKKRHC-OAHLLOKOSA-N 1 1 335.452 0.756 20 30 ECEDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000367150066 438173012 /nfs/dbraw/zinc/17/30/12/438173012.db2.gz BESXETKMASVTPO-CYBMUJFWSA-N 1 1 330.454 0.104 20 30 ECEDMO C=CCOCCNC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000374772247 438229083 /nfs/dbraw/zinc/22/90/83/438229083.db2.gz VOITXVPROWCDPT-UHFFFAOYSA-N 1 1 338.452 0.575 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cnccc1C#N ZINC000358483982 438235119 /nfs/dbraw/zinc/23/51/19/438235119.db2.gz PNTBBFZNTHIIEY-HNNXBMFYSA-N 1 1 329.404 0.626 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000375315928 438247706 /nfs/dbraw/zinc/24/77/06/438247706.db2.gz BTRACRZVQNSXOS-JKSUJKDBSA-N 1 1 345.451 0.217 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000375315928 438247709 /nfs/dbraw/zinc/24/77/09/438247709.db2.gz BTRACRZVQNSXOS-JKSUJKDBSA-N 1 1 345.451 0.217 20 30 ECEDMO C[N@@H+]1CCN(C(=O)NCC(=O)NCC#N)C[C@H]1Cc1ccccc1 ZINC000358311144 438196620 /nfs/dbraw/zinc/19/66/20/438196620.db2.gz KLTCDWPKETVYRU-OAHLLOKOSA-N 1 1 329.404 0.194 20 30 ECEDMO C[N@H+]1CCN(C(=O)NCC(=O)NCC#N)C[C@H]1Cc1ccccc1 ZINC000358311144 438196624 /nfs/dbraw/zinc/19/66/24/438196624.db2.gz KLTCDWPKETVYRU-OAHLLOKOSA-N 1 1 329.404 0.194 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374407756 438206248 /nfs/dbraw/zinc/20/62/48/438206248.db2.gz CVRZDUWBNILMRB-CYBMUJFWSA-N 1 1 341.437 0.316 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000375779974 438263257 /nfs/dbraw/zinc/26/32/57/438263257.db2.gz NLCUZLIXBIXUOS-CFVMTHIKSA-N 1 1 349.435 0.708 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000376300575 438277400 /nfs/dbraw/zinc/27/74/00/438277400.db2.gz KAROZBJESPUXAE-HOCLYGCPSA-N 1 1 343.431 0.978 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC ZINC000377560316 438310570 /nfs/dbraw/zinc/31/05/70/438310570.db2.gz PYFMVNLURDNKAQ-ZIAGYGMSSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000377575451 438312811 /nfs/dbraw/zinc/31/28/11/438312811.db2.gz PAGBGXWLZIWHEF-IRXDYDNUSA-N 1 1 336.480 0.877 20 30 ECEDMO C=C(C)CS(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000435425826 438366116 /nfs/dbraw/zinc/36/61/16/438366116.db2.gz DVVWTHZUTXAENQ-UHFFFAOYSA-N 1 1 329.466 0.378 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000378624758 438409774 /nfs/dbraw/zinc/40/97/74/438409774.db2.gz QFJREHXGIQEPDC-ZDUSSCGKSA-N 1 1 338.477 0.992 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000352324636 438411066 /nfs/dbraw/zinc/41/10/66/438411066.db2.gz XGTPREMFLSEIPF-AWEZNQCLSA-N 1 1 343.431 0.639 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369348049 438457882 /nfs/dbraw/zinc/45/78/82/438457882.db2.gz RQCPOOZRTZOKQB-WMZOPIPTSA-N 1 1 335.496 0.753 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000447392611 438676331 /nfs/dbraw/zinc/67/63/31/438676331.db2.gz ILOZKJRAXYRFCF-RBSFLKMASA-N 1 1 339.436 0.283 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000447392611 438676335 /nfs/dbraw/zinc/67/63/35/438676335.db2.gz ILOZKJRAXYRFCF-RBSFLKMASA-N 1 1 339.436 0.283 20 30 ECEDMO COC(=O)[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411915502 438683758 /nfs/dbraw/zinc/68/37/58/438683758.db2.gz LRLDBZGUOWBFFS-GJZGRUSLSA-N 1 1 330.388 0.121 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411990512 438685940 /nfs/dbraw/zinc/68/59/40/438685940.db2.gz XPCUELOUVHOAJT-IMJJTQAJSA-N 1 1 328.416 0.948 20 30 ECEDMO N#Cc1ncc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000453714278 438690609 /nfs/dbraw/zinc/69/06/09/438690609.db2.gz HDCSFIAIXGSAGJ-LLVKDONJSA-N 1 1 333.779 0.852 20 30 ECEDMO C=CCNC(=O)c1ccc(N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)nc1 ZINC000413492848 438694393 /nfs/dbraw/zinc/69/43/93/438694393.db2.gz DSBUMMFUIKJSQB-CQSZACIVSA-N 1 1 332.404 0.538 20 30 ECEDMO COCC(COC)[NH+]1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000413610982 438696374 /nfs/dbraw/zinc/69/63/74/438696374.db2.gz RINAIBRWJIADBK-UHFFFAOYSA-N 1 1 326.441 0.915 20 30 ECEDMO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451412529 438698938 /nfs/dbraw/zinc/69/89/38/438698938.db2.gz WYXVFKZVXRXWDU-UHFFFAOYSA-N 1 1 342.509 0.968 20 30 ECEDMO N#Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)ccc1F ZINC000451663266 438705053 /nfs/dbraw/zinc/70/50/53/438705053.db2.gz AQRHGZGQPGMIPE-ZDUSSCGKSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1F ZINC000451663266 438705055 /nfs/dbraw/zinc/70/50/55/438705055.db2.gz AQRHGZGQPGMIPE-ZDUSSCGKSA-N 1 1 341.408 0.822 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000454640504 438722490 /nfs/dbraw/zinc/72/24/90/438722490.db2.gz DHOHBKZEPMLPHG-ILXRZTDVSA-N 1 1 338.452 0.572 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000550654628 438737193 /nfs/dbraw/zinc/73/71/93/438737193.db2.gz XRAKHSNAHMEBHB-INIZCTEOSA-N 1 1 335.496 0.705 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](C)C(=O)NC)C3)C2)nn1 ZINC001041728414 782069152 /nfs/dbraw/zinc/06/91/52/782069152.db2.gz HWUXJPMPDUQXTK-GUYCJALGSA-N 1 1 346.435 0.137 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)CCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595523216 438813392 /nfs/dbraw/zinc/81/33/92/438813392.db2.gz PRBXPSYDBLUDCM-WBVHZDCISA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@@H]1CN(CCO)CC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595523216 438813398 /nfs/dbraw/zinc/81/33/98/438813398.db2.gz PRBXPSYDBLUDCM-WBVHZDCISA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@@H]1CN(CCO)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595523216 438813406 /nfs/dbraw/zinc/81/34/06/438813406.db2.gz PRBXPSYDBLUDCM-WBVHZDCISA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)CCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595523214 438814442 /nfs/dbraw/zinc/81/44/42/438814442.db2.gz PRBXPSYDBLUDCM-RDJZCZTQSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@H]1CN(CCO)CC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595523214 438814448 /nfs/dbraw/zinc/81/44/48/438814448.db2.gz PRBXPSYDBLUDCM-RDJZCZTQSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@H]1CN(CCO)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595523214 438814454 /nfs/dbraw/zinc/81/44/54/438814454.db2.gz PRBXPSYDBLUDCM-RDJZCZTQSA-N 1 1 333.432 0.491 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000558730436 438826751 /nfs/dbraw/zinc/82/67/51/438826751.db2.gz PTUBHYQSVOTDOZ-HZPDHXFCSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000558730436 438826754 /nfs/dbraw/zinc/82/67/54/438826754.db2.gz PTUBHYQSVOTDOZ-HZPDHXFCSA-N 1 1 334.464 0.982 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000595612873 438834751 /nfs/dbraw/zinc/83/47/51/438834751.db2.gz WCDSWKWNOKATBE-HOTGVXAUSA-N 1 1 327.388 0.912 20 30 ECEDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000595665616 438842488 /nfs/dbraw/zinc/84/24/88/438842488.db2.gz ZMYDDWRTVZRYEN-QJPTWQEYSA-N 1 1 335.385 0.645 20 30 ECEDMO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000595724348 438850115 /nfs/dbraw/zinc/85/01/15/438850115.db2.gz YOEPMTMEMHRWSF-FZKQIMNGSA-N 1 1 349.431 0.839 20 30 ECEDMO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000595724348 438850120 /nfs/dbraw/zinc/85/01/20/438850120.db2.gz YOEPMTMEMHRWSF-FZKQIMNGSA-N 1 1 349.431 0.839 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C(N)=O)o2)cc1 ZINC000577741487 438867567 /nfs/dbraw/zinc/86/75/67/438867567.db2.gz NIVSAECICLMUAG-ZDUSSCGKSA-N 1 1 329.356 0.974 20 30 ECEDMO N#Cc1ccc([C@H](C(N)=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595862945 438872900 /nfs/dbraw/zinc/87/29/00/438872900.db2.gz IREBLUDJLWHAIN-DLBZAZTESA-N 1 1 328.416 0.616 20 30 ECEDMO N#Cc1ccc([C@@H](C(N)=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595862951 438872986 /nfs/dbraw/zinc/87/29/86/438872986.db2.gz IREBLUDJLWHAIN-SJORKVTESA-N 1 1 328.416 0.616 20 30 ECEDMO CN(CCC#N)C[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000578006805 438887788 /nfs/dbraw/zinc/88/77/88/438887788.db2.gz UEWGHRBRFJDOFJ-FGTMMUONSA-N 1 1 338.496 0.550 20 30 ECEDMO COc1cc(CNC(=O)N2CC[N@H+](CCO)C[C@@H]2C)ccc1C#N ZINC000458799258 438918876 /nfs/dbraw/zinc/91/88/76/438918876.db2.gz ZOVULAJSBGWHMR-ZDUSSCGKSA-N 1 1 332.404 0.775 20 30 ECEDMO COc1cc(CNC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)ccc1C#N ZINC000458799258 438918880 /nfs/dbraw/zinc/91/88/80/438918880.db2.gz ZOVULAJSBGWHMR-ZDUSSCGKSA-N 1 1 332.404 0.775 20 30 ECEDMO C=CCNC(=O)CNc1cc(C)[nH+]c(NCC(=O)NCC=C)c1C#N ZINC000596184660 438938836 /nfs/dbraw/zinc/93/88/36/438938836.db2.gz SSSTUWUCMMBPIM-UHFFFAOYSA-N 1 1 342.403 0.690 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+][C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000590599198 438939252 /nfs/dbraw/zinc/93/92/52/438939252.db2.gz FBQFKRIOLFOCKL-MRXNPFEDSA-N 1 1 333.436 0.976 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000590604113 438940855 /nfs/dbraw/zinc/94/08/55/438940855.db2.gz XGFPFTVZXGGHMY-RBUKOAKNSA-N 1 1 346.475 0.808 20 30 ECEDMO C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000590745890 438953929 /nfs/dbraw/zinc/95/39/29/438953929.db2.gz HRBMJCIJBISGSV-WDSOQIARSA-N 1 1 345.443 0.897 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]23CCNC3=O)CC1 ZINC000565959500 438993242 /nfs/dbraw/zinc/99/32/42/438993242.db2.gz ONBBQDRIMKYVID-YJBOKZPZSA-N 1 1 347.463 0.033 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@]23CCNC3=O)CC1 ZINC000565959500 438993250 /nfs/dbraw/zinc/99/32/50/438993250.db2.gz ONBBQDRIMKYVID-YJBOKZPZSA-N 1 1 347.463 0.033 20 30 ECEDMO CCc1nc(C#N)cc(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)n1 ZINC000601980292 438995826 /nfs/dbraw/zinc/99/58/26/438995826.db2.gz GSDGCDGHNZDSKL-UHFFFAOYSA-N 1 1 338.419 0.989 20 30 ECEDMO C[C@H](CNC(=O)C(=O)NCc1ccc(CC#N)cc1)[N@@H+](C)C1CC1 ZINC000566205315 439025284 /nfs/dbraw/zinc/02/52/84/439025284.db2.gz OMYGPEZFCSQGKH-CYBMUJFWSA-N 1 1 328.416 0.968 20 30 ECEDMO C=CCn1cc(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000567694959 439167609 /nfs/dbraw/zinc/16/76/09/439167609.db2.gz JRFLKPYCNMVONG-GOSISDBHSA-N 1 1 341.415 0.717 20 30 ECEDMO N#CC[C@]1(O)CC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000592155219 439169809 /nfs/dbraw/zinc/16/98/09/439169809.db2.gz YUIBFSLBRGMRRU-KDOFPFPSSA-N 1 1 345.399 0.661 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)COc2ccc(C#N)cc2)CC1 ZINC000567415079 439139873 /nfs/dbraw/zinc/13/98/73/439139873.db2.gz BNYPDLWWKCAGDZ-UHFFFAOYSA-N 1 1 330.388 0.217 20 30 ECEDMO CN(CCC#N)C[C@H](O)C[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000567681669 439165295 /nfs/dbraw/zinc/16/52/95/439165295.db2.gz YJAGWOAVFVYLIE-QGZVFWFLSA-N 1 1 346.479 0.129 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1ccc(CC#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000592340016 439208574 /nfs/dbraw/zinc/20/85/74/439208574.db2.gz WMOAHURWDCXUBD-XJKSGUPXSA-N 1 1 344.415 0.204 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1ccc(CC#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000592340016 439208577 /nfs/dbraw/zinc/20/85/77/439208577.db2.gz WMOAHURWDCXUBD-XJKSGUPXSA-N 1 1 344.415 0.204 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000490615986 439279266 /nfs/dbraw/zinc/27/92/66/439279266.db2.gz HWQOKBSBEMVQJE-CYBMUJFWSA-N 1 1 328.372 0.514 20 30 ECEDMO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598593126 439282096 /nfs/dbraw/zinc/28/20/96/439282096.db2.gz QMJLEZJEPSTRFZ-HOTGVXAUSA-N 1 1 336.480 0.916 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000526056724 439236375 /nfs/dbraw/zinc/23/63/75/439236375.db2.gz BZLYICMDJHPERY-GJZGRUSLSA-N 1 1 347.463 0.176 20 30 ECEDMO CCn1nc2c(cc1=O)C[N@@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000592501952 439240334 /nfs/dbraw/zinc/24/03/34/439240334.db2.gz ONMHULCYMRCWTR-UHFFFAOYSA-N 1 1 335.371 0.736 20 30 ECEDMO CCn1nc2c(cc1=O)C[N@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000592501952 439240339 /nfs/dbraw/zinc/24/03/39/439240339.db2.gz ONMHULCYMRCWTR-UHFFFAOYSA-N 1 1 335.371 0.736 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)c(F)c1 ZINC000568510768 439253511 /nfs/dbraw/zinc/25/35/11/439253511.db2.gz AJQBXYXJKWYTAB-CHWSQXEVSA-N 1 1 325.365 0.449 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000603400880 439255215 /nfs/dbraw/zinc/25/52/15/439255215.db2.gz CGRDNXJGIFPKNU-HNNXBMFYSA-N 1 1 345.513 0.330 20 30 ECEDMO Cc1oc(C#N)cc1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603412698 439255574 /nfs/dbraw/zinc/25/55/74/439255574.db2.gz SGQPOOCDYOLHFL-OAHLLOKOSA-N 1 1 346.431 0.986 20 30 ECEDMO N#Cc1cc(NC[C@]2(CO)COCC[NH2+]2)ncc1Br ZINC000603418203 439258001 /nfs/dbraw/zinc/25/80/01/439258001.db2.gz CZRUPOMTCZGHRU-LBPRGKRZSA-N 1 1 327.182 0.479 20 30 ECEDMO Cn1c(NC[C@@H]2CC[N@H+]2C2CCCCC2)c(C#N)c(=O)n(C)c1=O ZINC000528115108 439316837 /nfs/dbraw/zinc/31/68/37/439316837.db2.gz OBUHBWKUHKFLIB-ZDUSSCGKSA-N 1 1 331.420 0.775 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](CO)[C@@H](O)C3)C2=O)cc1 ZINC000569328460 439323951 /nfs/dbraw/zinc/32/39/51/439323951.db2.gz CWHJFQXLJJHPDU-XIRDDKMYSA-N 1 1 329.400 0.729 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](CO)[C@@H](O)C3)C2=O)cc1 ZINC000569328460 439323957 /nfs/dbraw/zinc/32/39/57/439323957.db2.gz CWHJFQXLJJHPDU-XIRDDKMYSA-N 1 1 329.400 0.729 20 30 ECEDMO NC(=O)NC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528394742 439333632 /nfs/dbraw/zinc/33/36/32/439333632.db2.gz JCXBERPNDBULOW-UHFFFAOYSA-N 1 1 340.383 0.419 20 30 ECEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000491125388 439336106 /nfs/dbraw/zinc/33/61/06/439336106.db2.gz DSBZSDMOIYFLDY-LBPRGKRZSA-N 1 1 349.456 0.955 20 30 ECEDMO C#CC(C)(C)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000491125388 439336111 /nfs/dbraw/zinc/33/61/11/439336111.db2.gz DSBZSDMOIYFLDY-LBPRGKRZSA-N 1 1 349.456 0.955 20 30 ECEDMO N#CCNC(=O)CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000593066934 439337032 /nfs/dbraw/zinc/33/70/32/439337032.db2.gz ISUFEBXFASFBFC-SJORKVTESA-N 1 1 328.416 0.601 20 30 ECEDMO C#CCN(CC#CC)C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000490687996 439287700 /nfs/dbraw/zinc/28/77/00/439287700.db2.gz GNBHOXGNCQAJPO-SJORKVTESA-N 1 1 329.444 0.804 20 30 ECEDMO CN(C[C@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1)S(C)(=O)=O ZINC000598617810 439289047 /nfs/dbraw/zinc/28/90/47/439289047.db2.gz VVMFTUMDQOMOJY-KGLIPLIRSA-N 1 1 331.482 0.891 20 30 ECEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000598620116 439289469 /nfs/dbraw/zinc/28/94/69/439289469.db2.gz YSJYMMOYIHLOBT-UONOGXRCSA-N 1 1 328.420 1.516 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](Cc2ccccc2)C[C@H](C)O)CC1 ZINC000490780728 439299075 /nfs/dbraw/zinc/29/90/75/439299075.db2.gz QIDWEIIZWZQYPQ-KRWDZBQOSA-N 1 1 329.444 0.647 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](Cc2ccccc2)C[C@H](C)O)CC1 ZINC000490780728 439299079 /nfs/dbraw/zinc/29/90/79/439299079.db2.gz QIDWEIIZWZQYPQ-KRWDZBQOSA-N 1 1 329.444 0.647 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)CCCC(=O)OC(C)(C)C)CC1 ZINC000490854334 439305371 /nfs/dbraw/zinc/30/53/71/439305371.db2.gz ZVJZBNBXCMEPQJ-UHFFFAOYSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000490892608 439308332 /nfs/dbraw/zinc/30/83/32/439308332.db2.gz MWKIBJPXKDOWRJ-CYBMUJFWSA-N 1 1 335.404 0.738 20 30 ECEDMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000569147960 439309173 /nfs/dbraw/zinc/30/91/73/439309173.db2.gz REPYIYNIAVSENJ-HNNXBMFYSA-N 1 1 326.400 1.000 20 30 ECEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000569147960 439309177 /nfs/dbraw/zinc/30/91/77/439309177.db2.gz REPYIYNIAVSENJ-HNNXBMFYSA-N 1 1 326.400 1.000 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000491155713 439340518 /nfs/dbraw/zinc/34/05/18/439340518.db2.gz UEXCFMYJAIQWMN-OAHLLOKOSA-N 1 1 334.464 0.889 20 30 ECEDMO CNC(=O)[C@]1(C)CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528484822 439341140 /nfs/dbraw/zinc/34/11/40/439341140.db2.gz GEGAQYZMUPIYBK-LJQANCHMSA-N 1 1 339.395 0.744 20 30 ECEDMO COCCOCC[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000593115329 439345247 /nfs/dbraw/zinc/34/52/47/439345247.db2.gz IDHMDEJRDVAWSQ-QGZVFWFLSA-N 1 1 338.452 0.075 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000491193224 439345927 /nfs/dbraw/zinc/34/59/27/439345927.db2.gz WXDHGNGVBZMSRC-UHFFFAOYSA-N 1 1 348.447 0.606 20 30 ECEDMO COCCOCC[NH+]1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000593116591 439346073 /nfs/dbraw/zinc/34/60/73/439346073.db2.gz MNUVQCBYJLSKPW-HNNXBMFYSA-N 1 1 326.441 0.028 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)c(OC)cc1F ZINC000491210683 439349416 /nfs/dbraw/zinc/34/94/16/439349416.db2.gz XNEGZPMLULMQPN-UHFFFAOYSA-N 1 1 339.342 0.983 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)N1CCc2c1cc(F)cc2F ZINC000491210342 439350084 /nfs/dbraw/zinc/35/00/84/439350084.db2.gz SMQNGQWTUXDFDQ-UHFFFAOYSA-N 1 1 335.354 0.925 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)OCCn2cc[nH+]c2C)c1 ZINC000491220074 439351579 /nfs/dbraw/zinc/35/15/79/439351579.db2.gz JZUIORMHMRWHCO-UHFFFAOYSA-N 1 1 347.396 0.960 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000569843701 439369110 /nfs/dbraw/zinc/36/91/10/439369110.db2.gz MZOJBESVYGSOJI-UHFFFAOYSA-N 1 1 325.372 0.690 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000593535023 439397159 /nfs/dbraw/zinc/39/71/59/439397159.db2.gz SJOAVVDDBOMPQE-LBPRGKRZSA-N 1 1 337.401 0.717 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000593535023 439397164 /nfs/dbraw/zinc/39/71/64/439397164.db2.gz SJOAVVDDBOMPQE-LBPRGKRZSA-N 1 1 337.401 0.717 20 30 ECEDMO C#CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491535694 439402201 /nfs/dbraw/zinc/40/22/01/439402201.db2.gz DZJGESCIOITJHG-KBPBESRZSA-N 1 1 329.466 0.547 20 30 ECEDMO C#C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000491622395 439412688 /nfs/dbraw/zinc/41/26/88/439412688.db2.gz HECYJICNQZQLCU-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)CC1 ZINC000491645688 439420082 /nfs/dbraw/zinc/42/00/82/439420082.db2.gz PYQVZCJYTNGLMG-KRWDZBQOSA-N 1 1 326.444 0.957 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000491676232 439426728 /nfs/dbraw/zinc/42/67/28/439426728.db2.gz YWUIPZRENHWCBW-ZDUSSCGKSA-N 1 1 339.436 0.476 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000491711162 439432096 /nfs/dbraw/zinc/43/20/96/439432096.db2.gz ZRSKRXHEKOWGID-ZIAGYGMSSA-N 1 1 329.466 0.597 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000491812907 439455926 /nfs/dbraw/zinc/45/59/26/439455926.db2.gz PDYJBKTUTOCKHM-IRXDYDNUSA-N 1 1 347.463 0.973 20 30 ECEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)CCOCC1 ZINC000599363850 439447441 /nfs/dbraw/zinc/44/74/41/439447441.db2.gz GKOGJXBSVXSJID-CABCVRRESA-N 1 1 336.436 0.594 20 30 ECEDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599475526 439483676 /nfs/dbraw/zinc/48/36/76/439483676.db2.gz RTIJYTBIZKYLQE-LSDHHAIUSA-N 1 1 338.452 0.745 20 30 ECEDMO Cc1cnn(Cc2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)no2)c1 ZINC000533707183 439526249 /nfs/dbraw/zinc/52/62/49/439526249.db2.gz NJLWLRGIYXBORG-UHFFFAOYSA-N 1 1 328.376 0.946 20 30 ECEDMO C[N@H+]1C[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@@H](c2ccccc2)C1 ZINC000599675970 439535715 /nfs/dbraw/zinc/53/57/15/439535715.db2.gz BGIVZBWNEPKJMB-SJORKVTESA-N 1 1 340.427 0.916 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)n(CCC#N)n1 ZINC000543705076 439562584 /nfs/dbraw/zinc/56/25/84/439562584.db2.gz LJSGHTCDQWUXFQ-KGLIPLIRSA-N 1 1 344.419 0.596 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000531841676 439513579 /nfs/dbraw/zinc/51/35/79/439513579.db2.gz XHRKQZUEWLSUBS-OAHLLOKOSA-N 1 1 331.420 0.729 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000531841676 439513583 /nfs/dbraw/zinc/51/35/83/439513583.db2.gz XHRKQZUEWLSUBS-OAHLLOKOSA-N 1 1 331.420 0.729 20 30 ECEDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000594473664 439566203 /nfs/dbraw/zinc/56/62/03/439566203.db2.gz DCSJCRQCDMSNJB-ZDUSSCGKSA-N 1 1 330.454 0.262 20 30 ECEDMO COC(=O)c1ccc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C#N)n1 ZINC000594556339 439576661 /nfs/dbraw/zinc/57/66/61/439576661.db2.gz PIPGCAQCJWJICY-CQSZACIVSA-N 1 1 343.431 0.956 20 30 ECEDMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000572440436 439582962 /nfs/dbraw/zinc/58/29/62/439582962.db2.gz NFXIWURMSOXLOZ-AWEZNQCLSA-N 1 1 326.400 0.905 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000585712187 439645389 /nfs/dbraw/zinc/64/53/89/439645389.db2.gz ACZAYUOBPKSMFQ-SWLSCSKDSA-N 1 1 330.388 0.010 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000585712187 439645392 /nfs/dbraw/zinc/64/53/92/439645392.db2.gz ACZAYUOBPKSMFQ-SWLSCSKDSA-N 1 1 330.388 0.010 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000610916735 439657805 /nfs/dbraw/zinc/65/78/05/439657805.db2.gz AOAVNQPHBCGTQC-QMTHXVAHSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000610916735 439657807 /nfs/dbraw/zinc/65/78/07/439657807.db2.gz AOAVNQPHBCGTQC-QMTHXVAHSA-N 1 1 334.351 0.471 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC1 ZINC000595157258 439664199 /nfs/dbraw/zinc/66/41/99/439664199.db2.gz XMZJFKOADCZALT-KRWDZBQOSA-N 1 1 336.436 0.054 20 30 ECEDMO N#Cc1ccccc1N1CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000600846908 439709435 /nfs/dbraw/zinc/70/94/35/439709435.db2.gz UNVGFFNXCGEFEX-KRWDZBQOSA-N 1 1 345.443 0.973 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595385015 439717788 /nfs/dbraw/zinc/71/77/88/439717788.db2.gz RKXOSOXCIOEGKR-KRWDZBQOSA-N 1 1 349.456 0.919 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595383686 439718969 /nfs/dbraw/zinc/71/89/69/439718969.db2.gz CCODAWLHMAPFGQ-KRWDZBQOSA-N 1 1 349.456 0.919 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000612558237 439729098 /nfs/dbraw/zinc/72/90/98/439729098.db2.gz JFHQZKWZRAJAIO-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000611838828 439732076 /nfs/dbraw/zinc/73/20/76/439732076.db2.gz NZFBUYQJLKXDEQ-CQSZACIVSA-N 1 1 325.453 0.932 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000649188938 440410163 /nfs/dbraw/zinc/41/01/63/440410163.db2.gz VRXYFDBWISIXQB-SFHVURJKSA-N 1 1 329.444 0.695 20 30 ECEDMO C=CCCCS(=O)(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000644170822 440459226 /nfs/dbraw/zinc/45/92/26/440459226.db2.gz IIOWLWVWABGWBN-AWEZNQCLSA-N 1 1 329.466 0.697 20 30 ECEDMO C=CCCCS(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000644170822 440459231 /nfs/dbraw/zinc/45/92/31/440459231.db2.gz IIOWLWVWABGWBN-AWEZNQCLSA-N 1 1 329.466 0.697 20 30 ECEDMO C=C[C@](C)(O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000666939421 440713651 /nfs/dbraw/zinc/71/36/51/440713651.db2.gz XGLKWHJZZZHKDO-SFHVURJKSA-N 1 1 331.416 0.879 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000645141782 440753830 /nfs/dbraw/zinc/75/38/30/440753830.db2.gz LZRWJOKXIFPSLS-SOUVJXGZSA-N 1 1 325.453 0.948 20 30 ECEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000661379450 440843936 /nfs/dbraw/zinc/84/39/36/440843936.db2.gz BYDGAWQLHUZBFA-VXGBXAGGSA-N 1 1 334.420 0.526 20 30 ECEDMO CO[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@](C)(CO)C1 ZINC000640006986 440853015 /nfs/dbraw/zinc/85/30/15/440853015.db2.gz WZNVQWBUBOFEPB-LIRRHRJNSA-N 1 1 342.395 0.758 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC[NH+](CCOC)CC1 ZINC000641271302 441085977 /nfs/dbraw/zinc/08/59/77/441085977.db2.gz XEULHAYNPXDJTP-UHFFFAOYSA-N 1 1 339.461 0.919 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000641502108 441133627 /nfs/dbraw/zinc/13/36/27/441133627.db2.gz BAENAZVCEJLAIA-AWEZNQCLSA-N 1 1 339.461 0.654 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000641502108 441133630 /nfs/dbraw/zinc/13/36/30/441133630.db2.gz BAENAZVCEJLAIA-AWEZNQCLSA-N 1 1 339.461 0.654 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@]3(C)CCCS3(=O)=O)C2)C1 ZINC001041736020 782084947 /nfs/dbraw/zinc/08/49/47/782084947.db2.gz LKPAKGUGRZKDOC-DLBZAZTESA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@]3(C)CCCS3(=O)=O)C2)C1 ZINC001041736020 782084959 /nfs/dbraw/zinc/08/49/59/782084959.db2.gz LKPAKGUGRZKDOC-DLBZAZTESA-N 1 1 338.473 0.901 20 30 ECEDMO COCC(COC)[NH+]1CCN(c2ccc(C(=O)OC)nc2C#N)CC1 ZINC000571895952 322735932 /nfs/dbraw/zinc/73/59/32/322735932.db2.gz WRKAELQQSBZASM-UHFFFAOYSA-N 1 1 348.403 0.523 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC001041745382 782108855 /nfs/dbraw/zinc/10/88/55/782108855.db2.gz WVOSPOFQSIGKDB-GOSISDBHSA-N 1 1 328.416 0.825 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CCN(C(=O)c4nc[nH]n4)C3)C2)C1=O ZINC001041750768 782123453 /nfs/dbraw/zinc/12/34/53/782123453.db2.gz WFLVLBFXLIQBBS-CXAGYDPISA-N 1 1 344.419 0.130 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cccnn1 ZINC001078012562 782135606 /nfs/dbraw/zinc/13/56/06/782135606.db2.gz PSBFBDWBYGBCGS-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cccnn1 ZINC001078012562 782135613 /nfs/dbraw/zinc/13/56/13/782135613.db2.gz PSBFBDWBYGBCGS-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001078021736 782154512 /nfs/dbraw/zinc/15/45/12/782154512.db2.gz JBBVNXQMEHGSEW-HUUCEWRRSA-N 1 1 332.404 0.182 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001078021887 782154818 /nfs/dbraw/zinc/15/48/18/782154818.db2.gz LSNWRBXRNDLISH-HZPDHXFCSA-N 1 1 331.416 0.739 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)C1 ZINC001041765743 782158669 /nfs/dbraw/zinc/15/86/69/782158669.db2.gz RHSPGEBJMCYDGY-MAUKXSAKSA-N 1 1 343.431 0.486 20 30 ECEDMO O=C(C[NH+]1CCC(C(=O)N2CCOCC2)CC1)NC[C@@H]1CCCO1 ZINC000328743235 546004101 /nfs/dbraw/zinc/00/41/01/546004101.db2.gz JWQJDYKUQZDVMD-HNNXBMFYSA-N 1 1 339.436 0.693 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000329385847 546022747 /nfs/dbraw/zinc/02/27/47/546022747.db2.gz SEIPAYHSFBJBGL-WDEREUQCSA-N 1 1 336.358 0.600 20 30 ECEDMO Cn1cc(C[N@@H+]2CCCN(C(=O)NC[C@H]3COCCO3)CC2)cn1 ZINC000329460667 546024713 /nfs/dbraw/zinc/02/47/13/546024713.db2.gz PIKDOLXJCQVDFP-HNNXBMFYSA-N 1 1 337.424 0.257 20 30 ECEDMO Cn1cc(C[N@H+]2CCCN(C(=O)NC[C@H]3COCCO3)CC2)cn1 ZINC000329460667 546024719 /nfs/dbraw/zinc/02/47/19/546024719.db2.gz PIKDOLXJCQVDFP-HNNXBMFYSA-N 1 1 337.424 0.257 20 30 ECEDMO CC(=O)N1CCC(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000329834939 546035127 /nfs/dbraw/zinc/03/51/27/546035127.db2.gz LGOCQYLLEFIFDY-ZDUSSCGKSA-N 1 1 326.441 0.469 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)NC2CCN(CC#N)CC2)CC1(C)C ZINC000619658042 546355957 /nfs/dbraw/zinc/35/59/57/546355957.db2.gz JLAUXOJULGBKBD-UHFFFAOYSA-N 1 1 336.484 0.300 20 30 ECEDMO C=CC[C@H]1CC[N@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000625705676 547204864 /nfs/dbraw/zinc/20/48/64/547204864.db2.gz XCRXNOIHDFVWPU-NSHDSACASA-N 1 1 336.392 0.258 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000668342243 547625750 /nfs/dbraw/zinc/62/57/50/547625750.db2.gz GEPLBXPTQRXKBY-QGZVFWFLSA-N 1 1 347.463 0.925 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000668342243 547625754 /nfs/dbraw/zinc/62/57/54/547625754.db2.gz GEPLBXPTQRXKBY-QGZVFWFLSA-N 1 1 347.463 0.925 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000668685406 547725385 /nfs/dbraw/zinc/72/53/85/547725385.db2.gz LKWWHCQTJPIRFX-WBVHZDCISA-N 1 1 338.496 0.847 20 30 ECEDMO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000669057833 547821602 /nfs/dbraw/zinc/82/16/02/547821602.db2.gz XLSYMFLNXKXXEJ-OAHLLOKOSA-N 1 1 343.435 0.776 20 30 ECEDMO C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000669340310 547879480 /nfs/dbraw/zinc/87/94/80/547879480.db2.gz YNJBZLYNFVPUQB-CYBMUJFWSA-N 1 1 329.408 0.765 20 30 ECEDMO C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000669340310 547879483 /nfs/dbraw/zinc/87/94/83/547879483.db2.gz YNJBZLYNFVPUQB-CYBMUJFWSA-N 1 1 329.408 0.765 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)CC1 ZINC000748817335 579329223 /nfs/dbraw/zinc/32/92/23/579329223.db2.gz MNWQSMYARNIAKE-QGZVFWFLSA-N 1 1 346.475 0.241 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)CC1 ZINC000748817335 579329224 /nfs/dbraw/zinc/32/92/24/579329224.db2.gz MNWQSMYARNIAKE-QGZVFWFLSA-N 1 1 346.475 0.241 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](Cc2ccccc2CC(=O)OC)CC1 ZINC000751979083 579378659 /nfs/dbraw/zinc/37/86/59/579378659.db2.gz QMBBUVDWFVYVCC-UHFFFAOYSA-N 1 1 343.427 0.269 20 30 ECEDMO CO[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000752322927 579383204 /nfs/dbraw/zinc/38/32/04/579383204.db2.gz SMERCXXSTAMJCB-CYBMUJFWSA-N 1 1 333.392 0.224 20 30 ECEDMO C#CCOCCC(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000756304928 579448270 /nfs/dbraw/zinc/44/82/70/579448270.db2.gz GYODEVRGDRRVFT-UHFFFAOYSA-N 1 1 344.411 0.914 20 30 ECEDMO CON=Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000729359041 578295367 /nfs/dbraw/zinc/29/53/67/578295367.db2.gz AAHSAZGDMBKSBK-MRXNPFEDSA-N 1 1 346.431 0.984 20 30 ECEDMO CN1CC[NH+](C(C)(C)CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000732700586 578328904 /nfs/dbraw/zinc/32/89/04/578328904.db2.gz KHIRQINRSXVJNP-MRXNPFEDSA-N 1 1 348.495 0.394 20 30 ECEDMO CC(C)n1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)cn1 ZINC000732710848 578328985 /nfs/dbraw/zinc/32/89/85/578328985.db2.gz USCKVEAMYZSRBT-UHFFFAOYSA-N 1 1 338.481 0.984 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000733151426 578332875 /nfs/dbraw/zinc/33/28/75/578332875.db2.gz XDQWCFBVJURSDC-WBVHZDCISA-N 1 1 344.411 0.938 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000733151426 578332876 /nfs/dbraw/zinc/33/28/76/578332876.db2.gz XDQWCFBVJURSDC-WBVHZDCISA-N 1 1 344.411 0.938 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000798365562 578644698 /nfs/dbraw/zinc/64/46/98/578644698.db2.gz VBHHZZGKFOQPLH-HNNXBMFYSA-N 1 1 338.452 0.051 20 30 ECEDMO CC(=NNCCC[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000799488344 578666033 /nfs/dbraw/zinc/66/60/33/578666033.db2.gz DMYMUYURTLLRPM-UHFFFAOYSA-N 1 1 340.449 0.370 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000780565709 578696365 /nfs/dbraw/zinc/69/63/65/578696365.db2.gz MWULREBPQXLUAH-MRXNPFEDSA-N 1 1 329.448 0.865 20 30 ECEDMO N#Cc1ccc([C@@H](O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000780919155 578702675 /nfs/dbraw/zinc/70/26/75/578702675.db2.gz QUQYRYNKCKCIAB-JKSUJKDBSA-N 1 1 344.415 0.295 20 30 ECEDMO C[C@H]1CN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O ZINC000781859692 578716082 /nfs/dbraw/zinc/71/60/82/578716082.db2.gz JCBHGNQSPOMEIA-XJKSGUPXSA-N 1 1 331.416 0.895 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)NCC[N@@H+]1CC=CCC1 ZINC000793003238 578919654 /nfs/dbraw/zinc/91/96/54/578919654.db2.gz FWJNFIPVNOOLSC-PFONDFGASA-N 1 1 333.392 0.074 20 30 ECEDMO C#CCCCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793800174 578939734 /nfs/dbraw/zinc/93/97/34/578939734.db2.gz CHYVNQMTBSCSQH-UHFFFAOYSA-N 1 1 325.372 0.722 20 30 ECEDMO C#CCCC[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000766894503 579095975 /nfs/dbraw/zinc/09/59/75/579095975.db2.gz CTXGNPWFTZOPKX-GJZGRUSLSA-N 1 1 329.466 0.371 20 30 ECEDMO C[N@@H+]1CCN(c2ccc(C#N)nn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000767253992 579104291 /nfs/dbraw/zinc/10/42/91/579104291.db2.gz ACUDACBTTSJQTG-CYBMUJFWSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2ccc(C#N)nn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000767253992 579104293 /nfs/dbraw/zinc/10/42/93/579104293.db2.gz ACUDACBTTSJQTG-CYBMUJFWSA-N 1 1 332.408 0.993 20 30 ECEDMO C[C@@H](NC(=O)NCCNc1ncccc1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000770120602 579160254 /nfs/dbraw/zinc/16/02/54/579160254.db2.gz AUIJHCGXMMDCDR-OCCSQVGLSA-N 1 1 332.408 0.383 20 30 ECEDMO C[C@@H](NC(=O)NCCNc1ncccc1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000770120602 579160256 /nfs/dbraw/zinc/16/02/56/579160256.db2.gz AUIJHCGXMMDCDR-OCCSQVGLSA-N 1 1 332.408 0.383 20 30 ECEDMO C#C[C@@H](NC(=O)NCCCCN1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000773219782 579222871 /nfs/dbraw/zinc/22/28/71/579222871.db2.gz MNUYRNDWDIEHAH-SJORKVTESA-N 1 1 336.480 0.884 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C)[C@@H]1CCCO1 ZINC000773553853 579229724 /nfs/dbraw/zinc/22/97/24/579229724.db2.gz AWVSPTAREQOPCX-ILXRZTDVSA-N 1 1 337.420 0.446 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C)[C@@H]1CCCO1 ZINC000773553853 579229726 /nfs/dbraw/zinc/22/97/26/579229726.db2.gz AWVSPTAREQOPCX-ILXRZTDVSA-N 1 1 337.420 0.446 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N[C@H](C(=O)NC)c1ccccc1)[C@H]1CCCO1 ZINC000775792332 579271383 /nfs/dbraw/zinc/27/13/83/579271383.db2.gz QKYSAINBUCYCBG-UXLLHSPISA-N 1 1 329.400 0.360 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N(CCC(N)=O)c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000775801829 579271773 /nfs/dbraw/zinc/27/17/73/579271773.db2.gz WQHITRGZZNNVOR-HOTGVXAUSA-N 1 1 347.390 0.805 20 30 ECEDMO CC(C)(C#N)CS(=O)(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000777817892 579303179 /nfs/dbraw/zinc/30/31/79/579303179.db2.gz VTQXTBZWHVQPAT-UHFFFAOYSA-N 1 1 329.466 0.910 20 30 ECEDMO COCCS(=O)(=O)CCCO[NH+]=C(N)c1ccc(OC)cc1 ZINC000778591579 579309891 /nfs/dbraw/zinc/30/98/91/579309891.db2.gz JMZPBSGIAJZEGD-UHFFFAOYSA-N 1 1 330.406 0.783 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000760890536 579517027 /nfs/dbraw/zinc/51/70/27/579517027.db2.gz YVEURMUPQPJWHW-OAHLLOKOSA-N 1 1 346.435 0.508 20 30 ECEDMO C[N@H+]1CCCN(CCCNC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000762216275 579538729 /nfs/dbraw/zinc/53/87/29/579538729.db2.gz SPHMWOVOJZWGDV-UHFFFAOYSA-N 1 1 343.427 0.911 20 30 ECEDMO CN1CCC[N@H+](CCCNC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000762216275 579538731 /nfs/dbraw/zinc/53/87/31/579538731.db2.gz SPHMWOVOJZWGDV-UHFFFAOYSA-N 1 1 343.427 0.911 20 30 ECEDMO CN1CCC[N@@H+](CCCNC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000762216275 579538733 /nfs/dbraw/zinc/53/87/33/579538733.db2.gz SPHMWOVOJZWGDV-UHFFFAOYSA-N 1 1 343.427 0.911 20 30 ECEDMO C[C@H](CNC(=O)NCCNc1ccc(C#N)cn1)C[NH+]1CCOCC1 ZINC000738971058 579659068 /nfs/dbraw/zinc/65/90/68/579659068.db2.gz RJGVYIZAKPRCNO-CQSZACIVSA-N 1 1 346.435 0.633 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cn2cc(C(N)=O)c3ccccc32)CC1 ZINC000744364435 579808870 /nfs/dbraw/zinc/80/88/70/579808870.db2.gz ALGUROGOCPIOLD-UHFFFAOYSA-N 1 1 338.411 0.908 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)c1=O ZINC000744443508 579809670 /nfs/dbraw/zinc/80/96/70/579809670.db2.gz KRXZXLSRYGNUMX-KBPBESRZSA-N 1 1 334.420 0.622 20 30 ECEDMO Cc1cccc(NCCNC(=O)CCNC(=O)C2N=CC=CC2=O)[nH+]1 ZINC000746317014 579835944 /nfs/dbraw/zinc/83/59/44/579835944.db2.gz TZXBAULJTAOXDW-MSUUIHNZSA-N 1 1 343.387 0.835 20 30 ECEDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000841457789 588988747 /nfs/dbraw/zinc/98/87/47/588988747.db2.gz WGOOGGNNXGIXOB-KBPBESRZSA-N 1 1 330.384 0.680 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000841457789 588988749 /nfs/dbraw/zinc/98/87/49/588988749.db2.gz WGOOGGNNXGIXOB-KBPBESRZSA-N 1 1 330.384 0.680 20 30 ECEDMO CC(C)C(CNC(=O)c1ccc([N+](=O)[O-])cc1)N=NC1=[NH+]CCN1 ZINC000841659484 588997009 /nfs/dbraw/zinc/99/70/09/588997009.db2.gz OXQCWWQUQCMUDO-UHFFFAOYSA-N 1 1 332.364 0.885 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCCNc1ncccc1C#N ZINC000842174174 589017019 /nfs/dbraw/zinc/01/70/19/589017019.db2.gz ADTLKTRXKIWXGU-ZIAGYGMSSA-N 1 1 346.435 0.462 20 30 ECEDMO C#CC1(O)CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000890522530 586051645 /nfs/dbraw/zinc/05/16/45/586051645.db2.gz CPYQVRIMSHERMI-UHFFFAOYSA-N 1 1 337.420 0.136 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCC#C[C@H]2CCCCO2)CC1 ZINC000891926301 586205889 /nfs/dbraw/zinc/20/58/89/586205889.db2.gz LKJUBLZVLDPVPS-OAHLLOKOSA-N 1 1 336.436 0.069 20 30 ECEDMO C[C@H](NC(=O)Cc1cccc(OCC#N)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896550987 586253027 /nfs/dbraw/zinc/25/30/27/586253027.db2.gz BJAGDRBQPNHNEJ-YOEHRIQHSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@H](NC(=O)Cc1cccc(OCC#N)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896550987 586253029 /nfs/dbraw/zinc/25/30/29/586253029.db2.gz BJAGDRBQPNHNEJ-YOEHRIQHSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@H](NC(=O)Cc1cccc(OCC#N)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896550987 586253030 /nfs/dbraw/zinc/25/30/30/586253030.db2.gz BJAGDRBQPNHNEJ-YOEHRIQHSA-N 1 1 330.432 0.882 20 30 ECEDMO CN1CCC[C@@H]1c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)[nH]n1 ZINC000896993153 586280253 /nfs/dbraw/zinc/28/02/53/586280253.db2.gz OCRMYGJVVOLTER-CQSZACIVSA-N 1 1 330.392 0.374 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)n[nH]1 ZINC000896993153 586280254 /nfs/dbraw/zinc/28/02/54/586280254.db2.gz OCRMYGJVVOLTER-CQSZACIVSA-N 1 1 330.392 0.374 20 30 ECEDMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)n[nH]1 ZINC000896993153 586280255 /nfs/dbraw/zinc/28/02/55/586280255.db2.gz OCRMYGJVVOLTER-CQSZACIVSA-N 1 1 330.392 0.374 20 30 ECEDMO N#Cc1cnn2cc(CNC[C@H]3CC[N@@H+]3C3CCOCC3)cnc12 ZINC000897231450 586289975 /nfs/dbraw/zinc/28/99/75/586289975.db2.gz XCNZARDRVGQQGO-MRXNPFEDSA-N 1 1 326.404 0.944 20 30 ECEDMO N#Cc1cnn2cc(CNC[C@H]3CC[N@H+]3C3CCOCC3)cnc12 ZINC000897231450 586289977 /nfs/dbraw/zinc/28/99/77/586289977.db2.gz XCNZARDRVGQQGO-MRXNPFEDSA-N 1 1 326.404 0.944 20 30 ECEDMO C[N@H+](CCC#N)C[C@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853065520 586305049 /nfs/dbraw/zinc/30/50/49/586305049.db2.gz UVIFWBURPKKXGA-QMMMGPOBSA-N 1 1 332.158 0.760 20 30 ECEDMO C[N@@H+](CCC#N)C[C@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853065520 586305051 /nfs/dbraw/zinc/30/50/51/586305051.db2.gz UVIFWBURPKKXGA-QMMMGPOBSA-N 1 1 332.158 0.760 20 30 ECEDMO COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000903574586 586792155 /nfs/dbraw/zinc/79/21/55/586792155.db2.gz UHIQINNEBJTOLI-CYBMUJFWSA-N 1 1 327.381 0.696 20 30 ECEDMO N#CC1(CCCCN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000903787160 586815827 /nfs/dbraw/zinc/81/58/27/586815827.db2.gz UYGOSDQYWAGMIQ-UHFFFAOYSA-N 1 1 340.493 0.770 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000867327620 589069656 /nfs/dbraw/zinc/06/96/56/589069656.db2.gz OGOHVRJRXDWDGY-CQSZACIVSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000867327620 589069658 /nfs/dbraw/zinc/06/96/58/589069658.db2.gz OGOHVRJRXDWDGY-CQSZACIVSA-N 1 1 341.408 0.822 20 30 ECEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000839630892 586885085 /nfs/dbraw/zinc/88/50/85/586885085.db2.gz QPRURCGBJPNLOC-HZPDHXFCSA-N 1 1 345.399 0.809 20 30 ECEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccncc1 ZINC000805810575 586940198 /nfs/dbraw/zinc/94/01/98/586940198.db2.gz GKDIMSZBSKTWEK-HZPDHXFCSA-N 1 1 345.447 0.177 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)C2CN(C)CC[N@@H+](C)C2)c1 ZINC000906326811 586943995 /nfs/dbraw/zinc/94/39/95/586943995.db2.gz MXVZOEQXBMXORA-UHFFFAOYSA-N 1 1 342.443 0.558 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC[N@H+]1C ZINC000806041656 586954340 /nfs/dbraw/zinc/95/43/40/586954340.db2.gz JGFWLHIPSIAHTR-FZMZJTMJSA-N 1 1 332.379 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC000839837264 586957882 /nfs/dbraw/zinc/95/78/82/586957882.db2.gz GFDVRHFXNPRFMF-BBWFWOEESA-N 1 1 325.412 0.812 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC000839837264 586957884 /nfs/dbraw/zinc/95/78/84/586957884.db2.gz GFDVRHFXNPRFMF-BBWFWOEESA-N 1 1 325.412 0.812 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000907159571 587021692 /nfs/dbraw/zinc/02/16/92/587021692.db2.gz OISDKGMVVFDUBS-SFHVURJKSA-N 1 1 342.443 0.952 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC000810366843 587193724 /nfs/dbraw/zinc/19/37/24/587193724.db2.gz QCAXSRBLAANDOW-KGLIPLIRSA-N 1 1 346.362 0.615 20 30 ECEDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCCNc1ncccc1C#N ZINC000817450945 587342016 /nfs/dbraw/zinc/34/20/16/587342016.db2.gz MDCJTRFDFAMAQW-CQSZACIVSA-N 1 1 344.419 0.034 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000818602923 587440412 /nfs/dbraw/zinc/44/04/12/587440412.db2.gz JPOHQYGEWVFCKL-HNNXBMFYSA-N 1 1 328.416 0.501 20 30 ECEDMO CON=C(C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1csc(N)n1 ZINC000820022702 587503878 /nfs/dbraw/zinc/50/38/78/587503878.db2.gz KAGLVXXYMXVKPL-SNVBAGLBSA-N 1 1 325.438 0.876 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000823048866 587699326 /nfs/dbraw/zinc/69/93/26/587699326.db2.gz HBPVFDSLFITKOT-ZIAGYGMSSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000823048866 587699327 /nfs/dbraw/zinc/69/93/27/587699327.db2.gz HBPVFDSLFITKOT-ZIAGYGMSSA-N 1 1 327.450 0.303 20 30 ECEDMO COc1cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)ccc1C#N ZINC000825292177 587929492 /nfs/dbraw/zinc/92/94/92/587929492.db2.gz FSSANCGWKFVPJF-UHFFFAOYSA-N 1 1 330.388 0.413 20 30 ECEDMO C#CCN(CC)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1CCOC ZINC000828999768 588214457 /nfs/dbraw/zinc/21/44/57/588214457.db2.gz HVHODOZXWAXDST-CABCVRRESA-N 1 1 333.436 0.920 20 30 ECEDMO C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2C#N)C[C@H](C)[N@@H+]1CCO ZINC000829019821 588312249 /nfs/dbraw/zinc/31/22/49/588312249.db2.gz OCUNRAYWICBEOF-TXEJJXNPSA-N 1 1 338.433 0.097 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 ZINC000830959231 588394911 /nfs/dbraw/zinc/39/49/11/588394911.db2.gz DXJKBGDEMAGKJL-VYDXJSESSA-N 1 1 345.399 0.923 20 30 ECEDMO C[C@H](C#N)OCC[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000832555527 588489024 /nfs/dbraw/zinc/48/90/24/588489024.db2.gz UYCRLMQKIHCXCP-LLVKDONJSA-N 1 1 345.396 0.712 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366136 589109484 /nfs/dbraw/zinc/10/94/84/589109484.db2.gz HJBBGPRKBXYGNZ-IAQYHMDHSA-N 1 1 330.388 0.900 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366136 589109485 /nfs/dbraw/zinc/10/94/85/589109485.db2.gz HJBBGPRKBXYGNZ-IAQYHMDHSA-N 1 1 330.388 0.900 20 30 ECEDMO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCC[NH+]1CCOCC1 ZINC000844845014 589123437 /nfs/dbraw/zinc/12/34/37/589123437.db2.gz IXBBGLGRURYJJT-QGZVFWFLSA-N 1 1 346.431 0.955 20 30 ECEDMO C[C@@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000846339179 589197192 /nfs/dbraw/zinc/19/71/92/589197192.db2.gz XRTFVLIBHINFEU-YOEHRIQHSA-N 1 1 330.432 0.686 20 30 ECEDMO C#CCC[NH+]1CCN(C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846836938 589226128 /nfs/dbraw/zinc/22/61/28/589226128.db2.gz JIBARKHPKUBHMP-GOSISDBHSA-N 1 1 337.464 0.999 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000846841967 589226204 /nfs/dbraw/zinc/22/62/04/589226204.db2.gz QRQMXTBNDPTEKE-MSOLQXFVSA-N 1 1 333.432 0.871 20 30 ECEDMO COc1ccc(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1C#N ZINC000847340284 589242607 /nfs/dbraw/zinc/24/26/07/589242607.db2.gz GDEJJRMYMODHCL-LSDHHAIUSA-N 1 1 330.388 0.527 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000848143507 589280616 /nfs/dbraw/zinc/28/06/16/589280616.db2.gz VQNKZGSFNOEKKZ-UHFFFAOYSA-N 1 1 329.466 0.119 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CCCO1 ZINC000848937532 589316959 /nfs/dbraw/zinc/31/69/59/589316959.db2.gz PWUXIOQDFBWDSI-JJXSEGSLSA-N 1 1 333.432 0.417 20 30 ECEDMO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000850359426 589365058 /nfs/dbraw/zinc/36/50/58/589365058.db2.gz HSSMIQXMQLRPMK-CVEARBPZSA-N 1 1 337.445 0.938 20 30 ECEDMO C#CCn1ccc(C[N@@H+](CC)C[C@](O)(C(N)=O)c2ccccc2)n1 ZINC000851996182 589436885 /nfs/dbraw/zinc/43/68/85/589436885.db2.gz JUPQHYVKMVXPFS-GOSISDBHSA-N 1 1 326.400 0.711 20 30 ECEDMO C#CCn1ccc(C[N@H+](CC)C[C@](O)(C(N)=O)c2ccccc2)n1 ZINC000851996182 589436886 /nfs/dbraw/zinc/43/68/86/589436886.db2.gz JUPQHYVKMVXPFS-GOSISDBHSA-N 1 1 326.400 0.711 20 30 ECEDMO C#CCOCCNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000852251334 589452949 /nfs/dbraw/zinc/45/29/49/589452949.db2.gz NGINQAHYVDPVIA-SFHVURJKSA-N 1 1 344.459 0.752 20 30 ECEDMO C#CCOCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000852251334 589452950 /nfs/dbraw/zinc/45/29/50/589452950.db2.gz NGINQAHYVDPVIA-SFHVURJKSA-N 1 1 344.459 0.752 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000853719836 589556556 /nfs/dbraw/zinc/55/65/56/589556556.db2.gz RLFXUQHKYUHMKJ-CQSZACIVSA-N 1 1 338.452 0.219 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000853833751 589561305 /nfs/dbraw/zinc/56/13/05/589561305.db2.gz JYQQPPXCCWOACV-UHFFFAOYSA-N 1 1 349.435 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C ZINC000854717806 589602204 /nfs/dbraw/zinc/60/22/04/589602204.db2.gz SQPKKXMCDWFWOY-STQMWFEESA-N 1 1 325.409 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C ZINC000854717806 589602206 /nfs/dbraw/zinc/60/22/06/589602206.db2.gz SQPKKXMCDWFWOY-STQMWFEESA-N 1 1 325.409 0.086 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCCC(C)(C)C2)c1=O ZINC000112695344 589607890 /nfs/dbraw/zinc/60/78/90/589607890.db2.gz WPGIZODODBYGOD-UHFFFAOYSA-N 1 1 334.420 0.623 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCCC(C)(C)C2)c1=O ZINC000112695344 589607892 /nfs/dbraw/zinc/60/78/92/589607892.db2.gz WPGIZODODBYGOD-UHFFFAOYSA-N 1 1 334.420 0.623 20 30 ECEDMO CCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@@H+](CC)C1 ZINC000855492196 589633734 /nfs/dbraw/zinc/63/37/34/589633734.db2.gz WVKFOEBAKOMRHV-PHODEOQFSA-N 1 1 334.420 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](O)(Cc2nc(CC)no2)C1 ZINC000856707040 589671108 /nfs/dbraw/zinc/67/11/08/589671108.db2.gz KVOULBRUTKDHCU-KBXCAEBGSA-N 1 1 346.431 0.626 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](O)(Cc2nc(CC)no2)C1 ZINC000856707040 589671110 /nfs/dbraw/zinc/67/11/10/589671110.db2.gz KVOULBRUTKDHCU-KBXCAEBGSA-N 1 1 346.431 0.626 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)/C=C/c2ccc(S(C)(=O)=O)o2)CC1 ZINC000859003330 589791996 /nfs/dbraw/zinc/79/19/96/589791996.db2.gz KBPGSULVDQQRPH-FNORWQNLSA-N 1 1 336.413 0.864 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000859018484 589793040 /nfs/dbraw/zinc/79/30/40/589793040.db2.gz VVYSOOXWAQLJQI-HNNXBMFYSA-N 1 1 341.452 0.403 20 30 ECEDMO CN1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C(C)(C)C1=O ZINC000867927510 589863768 /nfs/dbraw/zinc/86/37/68/589863768.db2.gz HUPSRBXUQFUEDJ-OAHLLOKOSA-N 1 1 326.400 0.824 20 30 ECEDMO C[N@H+](CCO)CCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000885804805 589902658 /nfs/dbraw/zinc/90/26/58/589902658.db2.gz SWINJBBCBKEACY-UHFFFAOYSA-N 1 1 325.434 0.690 20 30 ECEDMO C[N@@H+](CCO)CCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000885804805 589902661 /nfs/dbraw/zinc/90/26/61/589902661.db2.gz SWINJBBCBKEACY-UHFFFAOYSA-N 1 1 325.434 0.690 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000863584530 590025442 /nfs/dbraw/zinc/02/54/42/590025442.db2.gz GCKJZBPNUIFPNX-MRXNPFEDSA-N 1 1 341.411 0.735 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@]2(C)Oc3ccccc3NC2=O)CC1 ZINC000865084641 590124031 /nfs/dbraw/zinc/12/40/31/590124031.db2.gz DMEUNYBRDBDZNJ-GOSISDBHSA-N 1 1 327.384 0.944 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000873774310 590201338 /nfs/dbraw/zinc/20/13/38/590201338.db2.gz JFFJZACAWDHEIN-ABAIWWIYSA-N 1 1 348.378 0.780 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000873774310 590201339 /nfs/dbraw/zinc/20/13/39/590201339.db2.gz JFFJZACAWDHEIN-ABAIWWIYSA-N 1 1 348.378 0.780 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1NC(=O)CO2 ZINC000873895744 590209534 /nfs/dbraw/zinc/20/95/34/590209534.db2.gz BVUNAFLXVPWUQK-UHFFFAOYSA-N 1 1 344.371 0.027 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cc3c([nH]c2=O)CCC[C@@H]3O)CC1 ZINC000874264533 590229140 /nfs/dbraw/zinc/22/91/40/590229140.db2.gz XBGGXRZBRXQGSR-INIZCTEOSA-N 1 1 329.400 0.938 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000874989444 590260978 /nfs/dbraw/zinc/26/09/78/590260978.db2.gz GDNVYZIZJYQDNI-UONOGXRCSA-N 1 1 335.404 0.543 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000875608271 590315417 /nfs/dbraw/zinc/31/54/17/590315417.db2.gz UQFDJDHVAMXJCI-MRXNPFEDSA-N 1 1 337.464 0.720 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]3OCCNC(=O)[C@@H]32)c1 ZINC000879719286 590337985 /nfs/dbraw/zinc/33/79/85/590337985.db2.gz MUTYQTLMTRNEFM-NVXWUHKLSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]3OCCNC(=O)[C@@H]32)c1 ZINC000879719286 590337988 /nfs/dbraw/zinc/33/79/88/590337988.db2.gz MUTYQTLMTRNEFM-NVXWUHKLSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]3OCCNC(=O)[C@H]32)c1 ZINC000879719287 590338040 /nfs/dbraw/zinc/33/80/40/590338040.db2.gz MUTYQTLMTRNEFM-RDJZCZTQSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]3OCCNC(=O)[C@H]32)c1 ZINC000879719287 590338049 /nfs/dbraw/zinc/33/80/49/590338049.db2.gz MUTYQTLMTRNEFM-RDJZCZTQSA-N 1 1 342.399 0.866 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)C1=O ZINC000879974564 590357485 /nfs/dbraw/zinc/35/74/85/590357485.db2.gz HZQXEWXQFBNFPI-VQHPVUNQSA-N 1 1 349.475 0.905 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC1 ZINC000880480455 590395069 /nfs/dbraw/zinc/39/50/69/590395069.db2.gz UEGQKIRDXFPCKX-QGZVFWFLSA-N 1 1 343.427 0.440 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000876908454 590425499 /nfs/dbraw/zinc/42/54/99/590425499.db2.gz OFOUDTCXKCHOPU-IAGOWNOFSA-N 1 1 339.395 0.952 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)Nc2cccc(CC#N)n2)CC[N@@H+](C)C1 ZINC000881143587 590438500 /nfs/dbraw/zinc/43/85/00/590438500.db2.gz CFUSRGCASFCZOT-LBPRGKRZSA-N 1 1 331.376 0.716 20 30 ECEDMO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000877146000 590440804 /nfs/dbraw/zinc/44/08/04/590440804.db2.gz OMJCLEOOTHGSJT-QWHCGFSZSA-N 1 1 328.844 0.268 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)CC1(O)CCCC1 ZINC000878187107 590504387 /nfs/dbraw/zinc/50/43/87/590504387.db2.gz ZEAUNYUQUIYNKJ-GJZGRUSLSA-N 1 1 345.447 0.915 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)CC1(O)CCCC1 ZINC000878187107 590504389 /nfs/dbraw/zinc/50/43/89/590504389.db2.gz ZEAUNYUQUIYNKJ-GJZGRUSLSA-N 1 1 345.447 0.915 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883713563 590655014 /nfs/dbraw/zinc/65/50/14/590655014.db2.gz QQJNRQYMOWIIQD-KRWDZBQOSA-N 1 1 336.480 0.884 20 30 ECEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N(CCC#N)CCOC ZINC000885457174 590725198 /nfs/dbraw/zinc/72/51/98/590725198.db2.gz NZKHAZQXUBRSMK-CABCVRRESA-N 1 1 344.481 0.652 20 30 ECEDMO CC(C)CN1CCO[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884180234 590764950 /nfs/dbraw/zinc/76/49/50/590764950.db2.gz QQGCOUJKVXVMDO-NDUQDZPOSA-N 1 1 334.464 0.599 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000884199665 590771213 /nfs/dbraw/zinc/77/12/13/590771213.db2.gz GSJONUYNKZVAAV-ZDUSSCGKSA-N 1 1 337.445 0.669 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000884199665 590771216 /nfs/dbraw/zinc/77/12/16/590771216.db2.gz GSJONUYNKZVAAV-ZDUSSCGKSA-N 1 1 337.445 0.669 20 30 ECEDMO C#CC[C@H]1CC[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000886360533 590835316 /nfs/dbraw/zinc/83/53/16/590835316.db2.gz XIUKAPXAYSPHGN-FVRSWCFKSA-N 1 1 346.431 0.864 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000886360533 590835321 /nfs/dbraw/zinc/83/53/21/590835321.db2.gz XIUKAPXAYSPHGN-FVRSWCFKSA-N 1 1 346.431 0.864 20 30 ECEDMO CON=C(C(=O)NCC[N@H+]1CCC(C)(C)C1)c1csc(N)n1 ZINC000890068160 591125497 /nfs/dbraw/zinc/12/54/97/591125497.db2.gz HWRDKTCRGTXHCS-UHFFFAOYSA-N 1 1 325.438 0.924 20 30 ECEDMO C#CCN(C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CC1 ZINC000890133829 591134640 /nfs/dbraw/zinc/13/46/40/591134640.db2.gz QXZIORVCGNJQCX-INIZCTEOSA-N 1 1 334.464 0.590 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000890361548 591150486 /nfs/dbraw/zinc/15/04/86/591150486.db2.gz UIMSUZGLYIKSMS-RDJZCZTQSA-N 1 1 334.464 0.325 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[C@]2(O)CCCOC2)C1 ZINC000890361680 591150778 /nfs/dbraw/zinc/15/07/78/591150778.db2.gz XPUQJQGMUBJEIJ-QAPCUYQASA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[C@]2(O)CCCOC2)C1 ZINC000890361680 591150782 /nfs/dbraw/zinc/15/07/82/591150782.db2.gz XPUQJQGMUBJEIJ-QAPCUYQASA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2Cc3ccccc3NC2=O)C1 ZINC000890361561 591151076 /nfs/dbraw/zinc/15/10/76/591151076.db2.gz UNCXXRGCSAVOKJ-ZBFHGGJFSA-N 1 1 326.400 0.947 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2Cc3ccccc3NC2=O)C1 ZINC000890361561 591151078 /nfs/dbraw/zinc/15/10/78/591151078.db2.gz UNCXXRGCSAVOKJ-ZBFHGGJFSA-N 1 1 326.400 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@]2(CO)C[C@@H](OCC)C2(C)C)C1 ZINC000890367525 591152809 /nfs/dbraw/zinc/15/28/09/591152809.db2.gz NUOOAEALPCNQQC-DAYGRLMNSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@]2(CO)C[C@@H](OCC)C2(C)C)C1 ZINC000890367525 591152812 /nfs/dbraw/zinc/15/28/12/591152812.db2.gz NUOOAEALPCNQQC-DAYGRLMNSA-N 1 1 337.464 0.949 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000890370805 591152892 /nfs/dbraw/zinc/15/28/92/591152892.db2.gz GKKLLZWXYYAGBV-QZTJIDSGSA-N 1 1 347.507 0.505 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](O)COc2ccc(F)cc2)C1 ZINC000890374847 591155171 /nfs/dbraw/zinc/15/51/71/591155171.db2.gz NAMNNVZHNAULOQ-CVEARBPZSA-N 1 1 349.406 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](O)COc2ccc(F)cc2)C1 ZINC000890374847 591155172 /nfs/dbraw/zinc/15/51/72/591155172.db2.gz NAMNNVZHNAULOQ-CVEARBPZSA-N 1 1 349.406 0.962 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCOC)C[C@H]2CC1 ZINC000946628222 611373727 /nfs/dbraw/zinc/37/37/27/611373727.db2.gz MHMOSTPIMWDRBE-KSZLIROESA-N 1 1 333.476 0.901 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cc(N(C)C)ccn2)CC1 ZINC000930006551 611379659 /nfs/dbraw/zinc/37/96/59/611379659.db2.gz GSEWFYSBJFTOTR-UHFFFAOYSA-N 1 1 345.447 0.530 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946667568 611403681 /nfs/dbraw/zinc/40/36/81/611403681.db2.gz ABAYRGUTJYZGJS-IYBDPMFKSA-N 1 1 345.443 0.719 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000930541701 611442047 /nfs/dbraw/zinc/44/20/47/611442047.db2.gz OTDFNHANNOXVOG-INIZCTEOSA-N 1 1 349.456 0.962 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC[C@@H]2C1 ZINC000946776225 611470013 /nfs/dbraw/zinc/47/00/13/611470013.db2.gz HZNRAZNXTKEKDW-XUWVNRHRSA-N 1 1 333.432 0.213 20 30 ECEDMO C=C(Cl)C[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H]2C(N)=O)C1=O ZINC000925394484 611477613 /nfs/dbraw/zinc/47/76/13/611477613.db2.gz YCZXMKNTFPTSTC-MNOVXSKESA-N 1 1 328.800 0.389 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CCc2ccncc2)CC1 ZINC000931347760 611532132 /nfs/dbraw/zinc/53/21/32/611532132.db2.gz ZRIANVIIEQHLGH-HNNXBMFYSA-N 1 1 345.447 0.642 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000947457088 611544538 /nfs/dbraw/zinc/54/45/38/611544538.db2.gz RUICSHSITKVUNZ-CVEARBPZSA-N 1 1 346.431 0.890 20 30 ECEDMO C[C@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[NH+]1CCN(CCC#N)CC1 ZINC000926805885 611569003 /nfs/dbraw/zinc/56/90/03/611569003.db2.gz AMNVJVOMIGLJRA-GFCCVEGCSA-N 1 1 327.388 0.809 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000948413769 611581281 /nfs/dbraw/zinc/58/12/81/611581281.db2.gz PSHSOCTZSVROGD-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000948414654 611581767 /nfs/dbraw/zinc/58/17/67/611581767.db2.gz ZBXVASXILKHFEY-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC000948416544 611582904 /nfs/dbraw/zinc/58/29/04/611582904.db2.gz IRNQOAPEILRWFN-CABCVRRESA-N 1 1 333.432 0.860 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCCS2(=O)=O)CC1 ZINC000948421589 611585675 /nfs/dbraw/zinc/58/56/75/611585675.db2.gz WKFMEGKZUDNTEA-HNNXBMFYSA-N 1 1 343.493 0.911 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000948425320 611587782 /nfs/dbraw/zinc/58/77/82/611587782.db2.gz PQPLXRMGFSKNRK-OAHLLOKOSA-N 1 1 348.447 0.436 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@H]1C ZINC000947592796 611610871 /nfs/dbraw/zinc/61/08/71/611610871.db2.gz FHVCCGVHVNFAIR-KGLIPLIRSA-N 1 1 329.404 0.651 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C[C@H]1C ZINC000947594162 611611331 /nfs/dbraw/zinc/61/13/31/611611331.db2.gz UFBSHQLEIUWKTJ-ZIAGYGMSSA-N 1 1 327.388 0.098 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000947631798 611626594 /nfs/dbraw/zinc/62/65/94/611626594.db2.gz NQABTRMMASULAJ-HNNXBMFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C ZINC000947369846 608601151 /nfs/dbraw/zinc/60/11/51/608601151.db2.gz QAONJTGXKDEALI-KGLIPLIRSA-N 1 1 334.420 0.092 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2(C3(O)CCOCC3)CC2)C1 ZINC000924037336 608603674 /nfs/dbraw/zinc/60/36/74/608603674.db2.gz SLFRZKQROXSQHI-OAHLLOKOSA-N 1 1 335.448 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(C3(O)CCOCC3)CC2)C1 ZINC000924037336 608603675 /nfs/dbraw/zinc/60/36/75/608603675.db2.gz SLFRZKQROXSQHI-OAHLLOKOSA-N 1 1 335.448 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H]3[C@@H](C(=O)OCC)[C@H]3C2)C1 ZINC000924037689 608606989 /nfs/dbraw/zinc/60/69/89/608606989.db2.gz UOMJVNCLIJCGLG-LVQVYYBASA-N 1 1 333.432 0.925 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]3[C@@H](C(=O)OCC)[C@H]3C2)C1 ZINC000924037689 608606990 /nfs/dbraw/zinc/60/69/90/608606990.db2.gz UOMJVNCLIJCGLG-LVQVYYBASA-N 1 1 333.432 0.925 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 ZINC000949326222 608636082 /nfs/dbraw/zinc/63/60/82/608636082.db2.gz HYTRVMSRAAJQBC-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)CCn3ccnn3)CC2)C1 ZINC000949352626 608649746 /nfs/dbraw/zinc/64/97/46/608649746.db2.gz ZNLHUXKJADDAPT-UHFFFAOYSA-N 1 1 333.436 0.938 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@H](O)C(C)C ZINC000937387372 608681147 /nfs/dbraw/zinc/68/11/47/608681147.db2.gz MKEBRIAWRYLOGG-YESZJQIVSA-N 1 1 349.475 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@H](O)C(C)C ZINC000937387372 608681149 /nfs/dbraw/zinc/68/11/49/608681149.db2.gz MKEBRIAWRYLOGG-YESZJQIVSA-N 1 1 349.475 0.598 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C[C@H]1C ZINC000947546309 608882765 /nfs/dbraw/zinc/88/27/65/608882765.db2.gz FSWJICQECJYOSF-HUUCEWRRSA-N 1 1 341.477 0.404 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1C ZINC000947567786 608899175 /nfs/dbraw/zinc/89/91/75/608899175.db2.gz HVVGNLNNDYBYMC-QWHCGFSZSA-N 1 1 327.392 0.826 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C[C@@H]1C ZINC000947602444 608918912 /nfs/dbraw/zinc/91/89/12/608918912.db2.gz LBAFEIPSLDUKKF-GJZGRUSLSA-N 1 1 330.436 0.935 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937054280 608936695 /nfs/dbraw/zinc/93/66/95/608936695.db2.gz MGFSPNXAIZIFOJ-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1C ZINC000947309079 608944861 /nfs/dbraw/zinc/94/48/61/608944861.db2.gz CBVDWYKPGWOJPX-KGLIPLIRSA-N 1 1 333.432 0.764 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937064519 608946229 /nfs/dbraw/zinc/94/62/29/608946229.db2.gz DMIZKJNUXREKRY-AWEZNQCLSA-N 1 1 340.387 0.764 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937181960 609021291 /nfs/dbraw/zinc/02/12/91/609021291.db2.gz VSQBYWBVTODMPO-JSGCOSHPSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000937777534 609070583 /nfs/dbraw/zinc/07/05/83/609070583.db2.gz BHMAKZJKMXBWGX-HOCLYGCPSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000937777534 609070585 /nfs/dbraw/zinc/07/05/85/609070585.db2.gz BHMAKZJKMXBWGX-HOCLYGCPSA-N 1 1 346.431 0.335 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000937798498 609090383 /nfs/dbraw/zinc/09/03/83/609090383.db2.gz HTYBPIZSEVIVPQ-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1cocn1 ZINC000937287408 609109829 /nfs/dbraw/zinc/10/98/29/609109829.db2.gz FUBONGVSLHTFTM-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1cocn1 ZINC000937287408 609109833 /nfs/dbraw/zinc/10/98/33/609109833.db2.gz FUBONGVSLHTFTM-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1 ZINC000928452759 611690079 /nfs/dbraw/zinc/69/00/79/611690079.db2.gz MOVUERPVMRJQTM-WFASDCNBSA-N 1 1 335.429 0.421 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000928455264 611690235 /nfs/dbraw/zinc/69/02/35/611690235.db2.gz UIMNZZCZSTXEPX-DOMZBBRYSA-N 1 1 335.429 0.421 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccncc2C)C1 ZINC000937916108 609396276 /nfs/dbraw/zinc/39/62/76/609396276.db2.gz UHYXJMISXLRQMJ-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccncc2C)C1 ZINC000937916108 609396278 /nfs/dbraw/zinc/39/62/78/609396278.db2.gz UHYXJMISXLRQMJ-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000937983683 609437709 /nfs/dbraw/zinc/43/77/09/609437709.db2.gz WWFRZUBVXVUPKB-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC000938172162 609485107 /nfs/dbraw/zinc/48/51/07/609485107.db2.gz QQPJKGLYKKPZHS-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC000938172162 609485109 /nfs/dbraw/zinc/48/51/09/609485109.db2.gz QQPJKGLYKKPZHS-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC000938172403 609485229 /nfs/dbraw/zinc/48/52/29/609485229.db2.gz XCRQOVOUGLOAQY-PMPSAXMXSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC000938172403 609485232 /nfs/dbraw/zinc/48/52/32/609485232.db2.gz XCRQOVOUGLOAQY-PMPSAXMXSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000938173013 609487033 /nfs/dbraw/zinc/48/70/33/609487033.db2.gz KLKQVUJBEGDYSU-RDJZCZTQSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@@H]1C ZINC000947810709 611701269 /nfs/dbraw/zinc/70/12/69/611701269.db2.gz OORGMZNCTPMUMO-KBPBESRZSA-N 1 1 341.415 0.937 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000908016556 609637784 /nfs/dbraw/zinc/63/77/84/609637784.db2.gz WYIPHSCVTZMTBL-UONOGXRCSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000908016556 609637785 /nfs/dbraw/zinc/63/77/85/609637785.db2.gz WYIPHSCVTZMTBL-UONOGXRCSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)o1 ZINC000908016586 609638004 /nfs/dbraw/zinc/63/80/04/609638004.db2.gz XPEJDVHTSGVVPZ-CHWSQXEVSA-N 1 1 325.390 0.371 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)o1 ZINC000908016586 609638005 /nfs/dbraw/zinc/63/80/05/609638005.db2.gz XPEJDVHTSGVVPZ-CHWSQXEVSA-N 1 1 325.390 0.371 20 30 ECEDMO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000908345428 609651232 /nfs/dbraw/zinc/65/12/32/609651232.db2.gz FLVARNGRBRCHRE-YJBOKZPZSA-N 1 1 344.415 0.780 20 30 ECEDMO C[C@@H](NS(=O)(=O)Cc1csc(C#N)c1)[C@H]1C[N@H+](C)CCN1C ZINC000919975339 609666734 /nfs/dbraw/zinc/66/67/34/609666734.db2.gz VXZYCILHHBHJJG-BXUZGUMPSA-N 1 1 342.490 0.673 20 30 ECEDMO C[C@@H](NS(=O)(=O)Cc1csc(C#N)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000919975339 609666737 /nfs/dbraw/zinc/66/67/37/609666737.db2.gz VXZYCILHHBHJJG-BXUZGUMPSA-N 1 1 342.490 0.673 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccsc1C#N)[C@@H]1C[N@H+](C)CCN1C ZINC000919979955 609667922 /nfs/dbraw/zinc/66/79/22/609667922.db2.gz AKTUSDFKGMJAQJ-QWRGUYRKSA-N 1 1 328.463 0.532 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccsc1C#N)[C@@H]1C[N@@H+](C)CCN1C ZINC000919979955 609667923 /nfs/dbraw/zinc/66/79/23/609667923.db2.gz AKTUSDFKGMJAQJ-QWRGUYRKSA-N 1 1 328.463 0.532 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@@H]1C[N@H+](C)CCN1C ZINC000920001963 609670097 /nfs/dbraw/zinc/67/00/97/609670097.db2.gz YYFYXMGMANMOIX-RISCZKNCSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@@H]1C[N@@H+](C)CCN1C ZINC000920001963 609670099 /nfs/dbraw/zinc/67/00/99/609670099.db2.gz YYFYXMGMANMOIX-RISCZKNCSA-N 1 1 340.424 0.610 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000913478070 609680304 /nfs/dbraw/zinc/68/03/04/609680304.db2.gz BWIUNCDBVUHGQX-AEFFLSMTSA-N 1 1 328.416 0.662 20 30 ECEDMO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC#CCN(C)C)CC1=O ZINC000913518697 609685354 /nfs/dbraw/zinc/68/53/54/609685354.db2.gz XNXOOQPCQOUHQT-HZPDHXFCSA-N 1 1 334.464 0.000 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC#CCN(C)C)CC1=O ZINC000913518697 609685355 /nfs/dbraw/zinc/68/53/55/609685355.db2.gz XNXOOQPCQOUHQT-HZPDHXFCSA-N 1 1 334.464 0.000 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)Cc2ccc(C(=O)NC)cc2)CC1 ZINC000921436876 609716530 /nfs/dbraw/zinc/71/65/30/609716530.db2.gz FYHOHANHGJMYQX-UHFFFAOYSA-N 1 1 349.456 0.563 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OC)nc2)CC1 ZINC000921437633 609716544 /nfs/dbraw/zinc/71/65/44/609716544.db2.gz CNXOBPBPDGGAOO-UHFFFAOYSA-N 1 1 337.401 0.244 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000938375294 609760750 /nfs/dbraw/zinc/76/07/50/609760750.db2.gz ORBZWNOJBBLSPH-GJZGRUSLSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C[C@@H]1C ZINC000948030618 609774755 /nfs/dbraw/zinc/77/47/55/609774755.db2.gz HGBWOIXNQOKRKS-LSDHHAIUSA-N 1 1 343.493 0.262 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC000938529960 609844853 /nfs/dbraw/zinc/84/48/53/609844853.db2.gz FPLRYIDLFKNZHP-DZGCQCFKSA-N 1 1 346.435 0.231 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)CNc2ccc(C#N)cn2)C1 ZINC000911860354 609916606 /nfs/dbraw/zinc/91/66/06/609916606.db2.gz VGYMYYGAPPJQLC-UHFFFAOYSA-N 1 1 347.419 0.171 20 30 ECEDMO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000911872504 609917483 /nfs/dbraw/zinc/91/74/83/609917483.db2.gz OVAACSXUNDEGMI-KRWDZBQOSA-N 1 1 330.432 0.543 20 30 ECEDMO Cc1nsc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C)CC2)c1C#N ZINC000925424501 609917787 /nfs/dbraw/zinc/91/77/87/609917787.db2.gz MCMRINBXUCDYLZ-LBPRGKRZSA-N 1 1 334.449 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000923597611 609926988 /nfs/dbraw/zinc/92/69/88/609926988.db2.gz PLNWRDWGNBNWOL-HNNXBMFYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000923597611 609926989 /nfs/dbraw/zinc/92/69/89/609926989.db2.gz PLNWRDWGNBNWOL-HNNXBMFYSA-N 1 1 349.456 0.764 20 30 ECEDMO COCC[NH+]1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 ZINC000916521062 609941321 /nfs/dbraw/zinc/94/13/21/609941321.db2.gz ZVYRBCQFLZLOIB-UHFFFAOYSA-N 1 1 332.408 0.339 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC000938705360 609953411 /nfs/dbraw/zinc/95/34/11/609953411.db2.gz JRZGPNHOJQLNIK-INIZCTEOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)c1 ZINC000938705671 609953780 /nfs/dbraw/zinc/95/37/80/609953780.db2.gz YLVVSFNHIRGDDP-INIZCTEOSA-N 1 1 337.383 0.599 20 30 ECEDMO N#CCN1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000917308410 609969380 /nfs/dbraw/zinc/96/93/80/609969380.db2.gz RMEMQGJWMYRQPW-GJZGRUSLSA-N 1 1 337.493 0.853 20 30 ECEDMO C#CCOCCC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000154708338 610003347 /nfs/dbraw/zinc/00/33/47/610003347.db2.gz LHWYBMHDROLVQV-UHFFFAOYSA-N 1 1 343.427 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccncn2)C1 ZINC000939356326 610172894 /nfs/dbraw/zinc/17/28/94/610172894.db2.gz CNSRFYWSGCATNT-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccncn2)C1 ZINC000939356326 610172896 /nfs/dbraw/zinc/17/28/96/610172896.db2.gz CNSRFYWSGCATNT-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c(C)ccn2C)C1 ZINC000940171699 610232107 /nfs/dbraw/zinc/23/21/07/610232107.db2.gz CCFHFVNFRHHJKF-CVEARBPZSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c(C)ccn2C)C1 ZINC000940171699 610232109 /nfs/dbraw/zinc/23/21/09/610232109.db2.gz CCFHFVNFRHHJKF-CVEARBPZSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nccc(C)n2)C1 ZINC000940211942 610243882 /nfs/dbraw/zinc/24/38/82/610243882.db2.gz AKWPHMROSZBBFD-CABCVRRESA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nccc(C)n2)C1 ZINC000940211942 610243883 /nfs/dbraw/zinc/24/38/83/610243883.db2.gz AKWPHMROSZBBFD-CABCVRRESA-N 1 1 341.415 0.213 20 30 ECEDMO C=C(C)CN1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941413814 610302856 /nfs/dbraw/zinc/30/28/56/610302856.db2.gz FTHYIXYVNPGZRM-SJLPKXTDSA-N 1 1 348.491 0.254 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000941413649 610302930 /nfs/dbraw/zinc/30/29/30/610302930.db2.gz BREFVVCLIRQCDT-ZWKOTPCHSA-N 1 1 332.492 0.568 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000940596391 610310900 /nfs/dbraw/zinc/31/09/00/610310900.db2.gz NIDKSGGZAPXLOW-YJBOKZPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000940596391 610310902 /nfs/dbraw/zinc/31/09/02/610310902.db2.gz NIDKSGGZAPXLOW-YJBOKZPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC000941437952 610315235 /nfs/dbraw/zinc/31/52/35/610315235.db2.gz HLAXIDVHNWEUHJ-UHFFFAOYSA-N 1 1 331.420 0.294 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)C1 ZINC000941456020 610318464 /nfs/dbraw/zinc/31/84/64/610318464.db2.gz KJGMHIIUUOKPEP-PKOBYXMFSA-N 1 1 344.503 0.855 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000940651768 610324173 /nfs/dbraw/zinc/32/41/73/610324173.db2.gz LUTPADQOEUXTEP-DZGCQCFKSA-N 1 1 343.431 0.759 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCNC2=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940658979 610326814 /nfs/dbraw/zinc/32/68/14/610326814.db2.gz UCYGSIPLRHLHHD-KBPBESRZSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)C1 ZINC000941471694 610330386 /nfs/dbraw/zinc/33/03/86/610330386.db2.gz GZAOCSIXGZJEDL-UHFFFAOYSA-N 1 1 341.459 0.754 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn(C)c3CCC)CC2)C1 ZINC000941472498 610330863 /nfs/dbraw/zinc/33/08/63/610330863.db2.gz ZRCIZVWDDBNMKV-UHFFFAOYSA-N 1 1 343.475 0.838 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940693536 610333186 /nfs/dbraw/zinc/33/31/86/610333186.db2.gz WQVGTIOXHOSCAN-BXUZGUMPSA-N 1 1 331.420 0.851 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccn(CCOC)n3)CC2)C1 ZINC000941484393 610337635 /nfs/dbraw/zinc/33/76/35/610337635.db2.gz WPABKNQMYWSHKZ-UHFFFAOYSA-N 1 1 333.436 0.158 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC000941485647 610337983 /nfs/dbraw/zinc/33/79/83/610337983.db2.gz YPIGVAPVXVGIJI-MJGOQNOKSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000941492429 610340682 /nfs/dbraw/zinc/34/06/82/610340682.db2.gz VWMKEPRJMSPKNP-RYQLBKOJSA-N 1 1 331.460 0.653 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(Cl)n(C)n3)CC2)C1 ZINC000941479376 610341799 /nfs/dbraw/zinc/34/17/99/610341799.db2.gz BLFMZYVNBGJIDT-UHFFFAOYSA-N 1 1 335.839 0.539 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3ccnc(C)n3)CC2)C1 ZINC000941502949 610345889 /nfs/dbraw/zinc/34/58/89/610345889.db2.gz ZWMPHGKAELDOOR-UHFFFAOYSA-N 1 1 341.459 0.569 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(OC)ccn3)CC2)C1 ZINC000941513736 610352735 /nfs/dbraw/zinc/35/27/35/610352735.db2.gz QBDPTSFCTHMLOW-UHFFFAOYSA-N 1 1 328.416 0.556 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940783244 610360059 /nfs/dbraw/zinc/36/00/59/610360059.db2.gz UZQLQESDVKSLQT-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000940785796 610361380 /nfs/dbraw/zinc/36/13/80/610361380.db2.gz POZNQEIXZGUABA-ZDUSSCGKSA-N 1 1 329.466 0.425 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000940789719 610363730 /nfs/dbraw/zinc/36/37/30/610363730.db2.gz YQRYCWVVATVQBQ-CYBMUJFWSA-N 1 1 329.404 0.513 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](C)C1 ZINC000942259789 610364812 /nfs/dbraw/zinc/36/48/12/610364812.db2.gz UKDPWPGVGMJDQA-NWDGAFQWSA-N 1 1 341.433 0.943 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H](C)C1 ZINC000942285564 610373710 /nfs/dbraw/zinc/37/37/10/610373710.db2.gz DORQRDILIDHYKI-JSGCOSHPSA-N 1 1 342.399 0.876 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H](C)C1 ZINC000942288728 610381473 /nfs/dbraw/zinc/38/14/73/610381473.db2.gz SAMMGHSWZBVKGZ-GXTWGEPZSA-N 1 1 342.399 0.876 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000940812749 610386202 /nfs/dbraw/zinc/38/62/02/610386202.db2.gz VFNGCCGBTUGAMF-XJKSGUPXSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)C1 ZINC000941600719 610401221 /nfs/dbraw/zinc/40/12/21/610401221.db2.gz BYSSZSLAIWHIFL-UHFFFAOYSA-N 1 1 334.445 0.475 20 30 ECEDMO C=CCC[NH+]1CC(N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)C1 ZINC000941626935 610415949 /nfs/dbraw/zinc/41/59/49/610415949.db2.gz ZGEFOCZCEFVHBV-UHFFFAOYSA-N 1 1 330.432 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC000942371001 610419381 /nfs/dbraw/zinc/41/93/81/610419381.db2.gz TZNOHEOTTFMRND-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC000941635337 610420784 /nfs/dbraw/zinc/42/07/84/610420784.db2.gz REQVUNJGTOBFOI-LJQANCHMSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(=O)NC)nc3)CC2)C1 ZINC000941640831 610421004 /nfs/dbraw/zinc/42/10/04/610421004.db2.gz FMDIDAQZCPQIFO-UHFFFAOYSA-N 1 1 343.431 0.069 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCCN(C)C3=O)CC2)C1 ZINC000941636328 610422208 /nfs/dbraw/zinc/42/22/08/610422208.db2.gz HAKQSJCYBQRPQB-KRWDZBQOSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCCN3C(N)=O)CC2)C1 ZINC000941636948 610422722 /nfs/dbraw/zinc/42/27/22/610422722.db2.gz YZLLIFMYDDGJSP-MRXNPFEDSA-N 1 1 349.479 0.324 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)nn3)CC2)C1 ZINC000941643181 610436655 /nfs/dbraw/zinc/43/66/55/610436655.db2.gz RVOXDIJWKJSVIF-UHFFFAOYSA-N 1 1 330.436 0.171 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C(C)(C)C1 ZINC000940917836 610439995 /nfs/dbraw/zinc/43/99/95/610439995.db2.gz CVKJEKIUQGGNPS-BBWFWOEESA-N 1 1 349.475 0.862 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000941653167 610442886 /nfs/dbraw/zinc/44/28/86/610442886.db2.gz GCXVOMVJZUYSNP-INIZCTEOSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CN(CC)CCO3)CC2)C1 ZINC000941671018 610444788 /nfs/dbraw/zinc/44/47/88/610444788.db2.gz DDGQYCMSQYJTRW-QGZVFWFLSA-N 1 1 336.480 0.112 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC000942430313 610447362 /nfs/dbraw/zinc/44/73/62/610447362.db2.gz SFBYIAOYNFXYTH-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C1 ZINC000941664980 610456159 /nfs/dbraw/zinc/45/61/59/610456159.db2.gz LGZYKOOVVBYLAM-UHFFFAOYSA-N 1 1 326.404 0.586 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cccnc3N(C)C)CC2)C1 ZINC000941665536 610457310 /nfs/dbraw/zinc/45/73/10/610457310.db2.gz IIWGPWQVRQJMRA-UHFFFAOYSA-N 1 1 329.448 0.776 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC000940965519 610469953 /nfs/dbraw/zinc/46/99/53/610469953.db2.gz BJFZEOITFUFOCR-KBPBESRZSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC000940965519 610469954 /nfs/dbraw/zinc/46/99/54/610469954.db2.gz BJFZEOITFUFOCR-KBPBESRZSA-N 1 1 339.386 0.800 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000942498189 610482639 /nfs/dbraw/zinc/48/26/39/610482639.db2.gz XPNQAJZULFBCOG-LSDHHAIUSA-N 1 1 343.493 0.815 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC000947903106 610504970 /nfs/dbraw/zinc/50/49/70/610504970.db2.gz CTQYSJOOGNUUNB-STQMWFEESA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC000947903106 610504973 /nfs/dbraw/zinc/50/49/73/610504973.db2.gz CTQYSJOOGNUUNB-STQMWFEESA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000941085541 610529265 /nfs/dbraw/zinc/52/92/65/610529265.db2.gz PQOYBXAQDNNRKG-OCCSQVGLSA-N 1 1 348.451 0.429 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000941088993 610530807 /nfs/dbraw/zinc/53/08/07/610530807.db2.gz QRXIDPHXBTZEFQ-LSDHHAIUSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CCN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091703 610532435 /nfs/dbraw/zinc/53/24/35/610532435.db2.gz XYSDTRCSCPZNHY-MRXNPFEDSA-N 1 1 331.464 0.908 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000941096943 610545467 /nfs/dbraw/zinc/54/54/67/610545467.db2.gz GELWTIRIESUPPF-INIZCTEOSA-N 1 1 340.427 0.689 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C(C)(C)C1 ZINC000941098415 610546616 /nfs/dbraw/zinc/54/66/16/610546616.db2.gz BOSPHZDZUPHQLX-AWEZNQCLSA-N 1 1 341.415 0.795 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(CC)on2)C1 ZINC000941873095 610547708 /nfs/dbraw/zinc/54/77/08/610547708.db2.gz PVQLVNJKCDXCBV-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(CC)on2)C1 ZINC000941873095 610547709 /nfs/dbraw/zinc/54/77/09/610547709.db2.gz PVQLVNJKCDXCBV-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941124887 610554785 /nfs/dbraw/zinc/55/47/85/610554785.db2.gz WHVHNDCCVIJENZ-CQSZACIVSA-N 1 1 346.431 0.979 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000941160806 610569161 /nfs/dbraw/zinc/56/91/61/610569161.db2.gz IKPCDUADBLWGHS-ZDUSSCGKSA-N 1 1 334.420 0.120 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000941245469 610616212 /nfs/dbraw/zinc/61/62/12/610616212.db2.gz PAAYIRGVMCARPD-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2c(OC)ncnc2OC)C(C)(C)C1 ZINC000941251000 610619319 /nfs/dbraw/zinc/61/93/19/610619319.db2.gz QLCAPUHETBPGLF-LBPRGKRZSA-N 1 1 332.404 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CCC(O)CC2)C1 ZINC000941237611 610620837 /nfs/dbraw/zinc/62/08/37/610620837.db2.gz CXDIOZADPANAJC-MYBQVCMBSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CCC(O)CC2)C1 ZINC000941237611 610620839 /nfs/dbraw/zinc/62/08/39/610620839.db2.gz CXDIOZADPANAJC-MYBQVCMBSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000941237526 610621214 /nfs/dbraw/zinc/62/12/14/610621214.db2.gz BRNHOTCUCMXOOP-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000941237526 610621217 /nfs/dbraw/zinc/62/12/17/610621217.db2.gz BRNHOTCUCMXOOP-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000941238277 610622358 /nfs/dbraw/zinc/62/23/58/610622358.db2.gz XDUOOHBCKBGWPB-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000941238277 610622360 /nfs/dbraw/zinc/62/23/60/610622360.db2.gz XDUOOHBCKBGWPB-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000942035455 610623943 /nfs/dbraw/zinc/62/39/43/610623943.db2.gz ZMGBMEKWYXRMIA-FPCVCCKLSA-N 1 1 335.448 0.779 20 30 ECEDMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000942801527 610628297 /nfs/dbraw/zinc/62/82/97/610628297.db2.gz LLWKJLWDCYZWOT-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO Cc1ncsc1CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000941349594 610685966 /nfs/dbraw/zinc/68/59/66/610685966.db2.gz ZEMINROVGKEXDD-ZDUSSCGKSA-N 1 1 347.488 0.982 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3ccc(OC)nn32)[C@H](C)C1 ZINC000942197410 610692530 /nfs/dbraw/zinc/69/25/30/610692530.db2.gz VTUJRBGOYQVYQG-OLZOCXBDSA-N 1 1 327.388 0.811 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@@H](C)C1 ZINC000942219773 610700611 /nfs/dbraw/zinc/70/06/11/610700611.db2.gz NQXIFFBGHXUOKV-DOTOQJQBSA-N 1 1 345.443 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000943197078 610743200 /nfs/dbraw/zinc/74/32/00/610743200.db2.gz SIMKXHSKFAWTRT-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000943197078 610743202 /nfs/dbraw/zinc/74/32/02/610743202.db2.gz SIMKXHSKFAWTRT-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000943229765 610755653 /nfs/dbraw/zinc/75/56/53/610755653.db2.gz DGINRGXADULXAX-OCCSQVGLSA-N 1 1 334.420 0.100 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1C ZINC000944215792 610787817 /nfs/dbraw/zinc/78/78/17/610787817.db2.gz UWNUMTARNOXFHF-GXTWGEPZSA-N 1 1 330.388 0.019 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1C ZINC000944215792 610787818 /nfs/dbraw/zinc/78/78/18/610787818.db2.gz UWNUMTARNOXFHF-GXTWGEPZSA-N 1 1 330.388 0.019 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccnnc1 ZINC000944325847 610837421 /nfs/dbraw/zinc/83/74/21/610837421.db2.gz JKYMJHCOFUFHIB-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccnnc1 ZINC000944325847 610837424 /nfs/dbraw/zinc/83/74/24/610837424.db2.gz JKYMJHCOFUFHIB-CVEARBPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000944369256 610844729 /nfs/dbraw/zinc/84/47/29/610844729.db2.gz MRLFFGSAUOJIFT-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000944369256 610844730 /nfs/dbraw/zinc/84/47/30/610844730.db2.gz MRLFFGSAUOJIFT-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2C)nn1 ZINC000943497567 610884358 /nfs/dbraw/zinc/88/43/58/610884358.db2.gz LQSBEDWSTIXJEN-ZIAGYGMSSA-N 1 1 344.423 0.196 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 ZINC000945180090 610934188 /nfs/dbraw/zinc/93/41/88/610934188.db2.gz KFYKOOLYQUDECH-OLZOCXBDSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000944563833 610972633 /nfs/dbraw/zinc/97/26/33/610972633.db2.gz NIBJMQNNBULQES-HNNXBMFYSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000944563833 610972635 /nfs/dbraw/zinc/97/26/35/610972635.db2.gz NIBJMQNNBULQES-HNNXBMFYSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC000944645776 611054829 /nfs/dbraw/zinc/05/48/29/611054829.db2.gz YSFPKRMJKZMUIY-CVEARBPZSA-N 1 1 344.415 0.070 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC000944645776 611054832 /nfs/dbraw/zinc/05/48/32/611054832.db2.gz YSFPKRMJKZMUIY-CVEARBPZSA-N 1 1 344.415 0.070 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 ZINC000944653110 611061026 /nfs/dbraw/zinc/06/10/26/611061026.db2.gz KYYCLCKQFLLSQO-OLZOCXBDSA-N 1 1 334.420 0.167 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC000943971401 611073527 /nfs/dbraw/zinc/07/35/27/611073527.db2.gz OACZOWXGFGVZNP-HUUCEWRRSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000923487753 611249364 /nfs/dbraw/zinc/24/93/64/611249364.db2.gz HFFLFOCXJVHZRB-HBPKQKSZSA-N 1 1 337.464 0.804 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC[C@@H]2C1 ZINC000946911364 611253376 /nfs/dbraw/zinc/25/33/76/611253376.db2.gz QAOHBMNSSDAOMD-XHSDSOJGSA-N 1 1 332.448 0.723 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)CC[C@@H]2C1 ZINC000946911069 611254973 /nfs/dbraw/zinc/25/49/73/611254973.db2.gz BGFDUICLXGISKW-GASCZTMLSA-N 1 1 326.400 0.598 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC[C@@H]2C1 ZINC000946915614 611258167 /nfs/dbraw/zinc/25/81/67/611258167.db2.gz NWNVOZUBMCMOQL-QLFBSQMISA-N 1 1 333.432 0.786 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C2CCN(Cc3nccn3C)CC2)C1 ZINC000923574656 611267228 /nfs/dbraw/zinc/26/72/28/611267228.db2.gz WDSXFOPEZJFJID-KRWDZBQOSA-N 1 1 343.475 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C2CCN(Cc3nccn3C)CC2)C1 ZINC000923574656 611267229 /nfs/dbraw/zinc/26/72/29/611267229.db2.gz WDSXFOPEZJFJID-KRWDZBQOSA-N 1 1 343.475 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN(C)C(=O)[C@H](C)n2cccn2)C1 ZINC000923584279 611267844 /nfs/dbraw/zinc/26/78/44/611267844.db2.gz GCAPQKPAYBLTKJ-GJZGRUSLSA-N 1 1 331.420 0.116 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN(C)C(=O)[C@H](C)n2cccn2)C1 ZINC000923584279 611267846 /nfs/dbraw/zinc/26/78/46/611267846.db2.gz GCAPQKPAYBLTKJ-GJZGRUSLSA-N 1 1 331.420 0.116 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000923592037 611271527 /nfs/dbraw/zinc/27/15/27/611271527.db2.gz HVZCKAYWKXXRSD-HNNXBMFYSA-N 1 1 349.456 0.480 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000923592037 611271530 /nfs/dbraw/zinc/27/15/30/611271530.db2.gz HVZCKAYWKXXRSD-HNNXBMFYSA-N 1 1 349.456 0.480 20 30 ECEDMO CN(CC#N)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000101536408 611293160 /nfs/dbraw/zinc/29/31/60/611293160.db2.gz BAWGCBNKCXFUDA-SFHVURJKSA-N 1 1 341.415 0.986 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000946512857 611294216 /nfs/dbraw/zinc/29/42/16/611294216.db2.gz ZUTDBRKBBVCUDP-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000946518229 611297161 /nfs/dbraw/zinc/29/71/61/611297161.db2.gz TYYCKWHZDBVQDB-UHFFFAOYSA-N 1 1 340.387 0.812 20 30 ECEDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)CCOCCO ZINC000922113971 611336246 /nfs/dbraw/zinc/33/62/46/611336246.db2.gz OZGMEZPOTFXSPM-DLBZAZTESA-N 1 1 331.416 0.719 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933651361 611738563 /nfs/dbraw/zinc/73/85/63/611738563.db2.gz HJYPFZWIIXZWEP-UHFFFAOYSA-N 1 1 331.416 0.102 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)[C@@H](C)C2)nc1 ZINC000947948634 611752666 /nfs/dbraw/zinc/75/26/66/611752666.db2.gz OLZTVYHJWHRGEW-GOEBONIOSA-N 1 1 338.415 0.937 20 30 ECEDMO C(#CC[N@@H+]1CCC[C@@H]1C1OCCO1)CN1CCC[C@H]1C1OCCO1 ZINC000933899592 611758093 /nfs/dbraw/zinc/75/80/93/611758093.db2.gz CVQLRSGAXCLUKY-IYBDPMFKSA-N 1 1 336.432 0.664 20 30 ECEDMO C(#CC[N@H+]1CCC[C@@H]1C1OCCO1)CN1CCC[C@H]1C1OCCO1 ZINC000933899592 611758096 /nfs/dbraw/zinc/75/80/96/611758096.db2.gz CVQLRSGAXCLUKY-IYBDPMFKSA-N 1 1 336.432 0.664 20 30 ECEDMO C(#CC[N@@H+]1CCC[C@H]1C1OCCO1)CN1CCC[C@@H]1C1OCCO1 ZINC000933899592 611758098 /nfs/dbraw/zinc/75/80/98/611758098.db2.gz CVQLRSGAXCLUKY-IYBDPMFKSA-N 1 1 336.432 0.664 20 30 ECEDMO C(#CC[N@H+]1CCC[C@H]1C1OCCO1)CN1CCC[C@@H]1C1OCCO1 ZINC000933899592 611758100 /nfs/dbraw/zinc/75/81/00/611758100.db2.gz CVQLRSGAXCLUKY-IYBDPMFKSA-N 1 1 336.432 0.664 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000948962333 611772841 /nfs/dbraw/zinc/77/28/41/611772841.db2.gz RJBCTLAAYQLRDD-ZACQAIPSSA-N 1 1 349.475 0.884 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000950597642 611783421 /nfs/dbraw/zinc/78/34/21/611783421.db2.gz TXRXTKFZTIDLDA-ZNMIVQPWSA-N 1 1 331.420 0.501 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H]1CCC2(COC2)O1 ZINC000929822706 611797564 /nfs/dbraw/zinc/79/75/64/611797564.db2.gz CPZRUHCHXYMZLH-UONOGXRCSA-N 1 1 329.404 0.807 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1CCC2(COC2)O1 ZINC000929822706 611797566 /nfs/dbraw/zinc/79/75/66/611797566.db2.gz CPZRUHCHXYMZLH-UONOGXRCSA-N 1 1 329.404 0.807 20 30 ECEDMO C#C[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000934514179 611805697 /nfs/dbraw/zinc/80/56/97/611805697.db2.gz NRABGFFYEMXXIW-HNNXBMFYSA-N 1 1 329.400 0.655 20 30 ECEDMO C#C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000934514179 611805699 /nfs/dbraw/zinc/80/56/99/611805699.db2.gz NRABGFFYEMXXIW-HNNXBMFYSA-N 1 1 329.400 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000950651300 611818237 /nfs/dbraw/zinc/81/82/37/611818237.db2.gz QZLKHWBGEXWAJQ-YUELXQCFSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000950651300 611818240 /nfs/dbraw/zinc/81/82/40/611818240.db2.gz QZLKHWBGEXWAJQ-YUELXQCFSA-N 1 1 343.431 0.392 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC000949095622 611852064 /nfs/dbraw/zinc/85/20/64/611852064.db2.gz SUTGXIZLKWRWFM-DLBZAZTESA-N 1 1 349.475 0.729 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)nn1 ZINC000950057082 611855531 /nfs/dbraw/zinc/85/55/31/611855531.db2.gz QLLDSEWJAZJQTA-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCOC3(CCN(CC#N)CC3)C2)CC[N@H+]1C ZINC000949170069 611886749 /nfs/dbraw/zinc/88/67/49/611886749.db2.gz BLHBCZBXBMNHKO-HOTGVXAUSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(C)nc1 ZINC000950753996 611889264 /nfs/dbraw/zinc/88/92/64/611889264.db2.gz PXAKPUBFYGXUFY-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(C)nc1 ZINC000950753996 611889265 /nfs/dbraw/zinc/88/92/65/611889265.db2.gz PXAKPUBFYGXUFY-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccccn1 ZINC000950754352 611889726 /nfs/dbraw/zinc/88/97/26/611889726.db2.gz UCEJOAVELCEBSX-ZBFHGGJFSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccccn1 ZINC000950754352 611889729 /nfs/dbraw/zinc/88/97/29/611889729.db2.gz UCEJOAVELCEBSX-ZBFHGGJFSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1(C)CCOCC1 ZINC000950755156 611890498 /nfs/dbraw/zinc/89/04/98/611890498.db2.gz FENFAZVROPTYMD-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1(C)CCOCC1 ZINC000950755156 611890500 /nfs/dbraw/zinc/89/05/00/611890500.db2.gz FENFAZVROPTYMD-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c(C)cnn1C ZINC000950755650 611891448 /nfs/dbraw/zinc/89/14/48/611891448.db2.gz QTOYIPIWBLLKHM-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c(C)cnn1C ZINC000950755650 611891449 /nfs/dbraw/zinc/89/14/49/611891449.db2.gz QTOYIPIWBLLKHM-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950761758 611895227 /nfs/dbraw/zinc/89/52/27/611895227.db2.gz NGMQGEZWNRFDQV-SJORKVTESA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950761758 611895230 /nfs/dbraw/zinc/89/52/30/611895230.db2.gz NGMQGEZWNRFDQV-SJORKVTESA-N 1 1 347.459 0.616 20 30 ECEDMO Cc1cc(=O)c(C(=O)N2CCOC3(CC[NH+](CC#N)CC3)C2)c[nH]1 ZINC000949221087 611906097 /nfs/dbraw/zinc/90/60/97/611906097.db2.gz UEXGHBMMYOBYPF-UHFFFAOYSA-N 1 1 330.388 0.514 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C ZINC000950832858 611931571 /nfs/dbraw/zinc/93/15/71/611931571.db2.gz QKASDPQSWPEDQX-BNOWGMLFSA-N 1 1 345.403 0.052 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C ZINC000950832858 611931573 /nfs/dbraw/zinc/93/15/73/611931573.db2.gz QKASDPQSWPEDQX-BNOWGMLFSA-N 1 1 345.403 0.052 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000950272181 611943826 /nfs/dbraw/zinc/94/38/26/611943826.db2.gz YVKIXJMNMQOBIH-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000950272181 611943828 /nfs/dbraw/zinc/94/38/28/611943828.db2.gz YVKIXJMNMQOBIH-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949446759 611983646 /nfs/dbraw/zinc/98/36/46/611983646.db2.gz BHTFENLUYJKMSM-SFHVURJKSA-N 1 1 347.459 0.619 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC000949472657 611992203 /nfs/dbraw/zinc/99/22/03/611992203.db2.gz LLNNRPRICDOVCP-CVEARBPZSA-N 1 1 347.459 0.427 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC000949472657 611992205 /nfs/dbraw/zinc/99/22/05/611992205.db2.gz LLNNRPRICDOVCP-CVEARBPZSA-N 1 1 347.459 0.427 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000949501777 612010420 /nfs/dbraw/zinc/01/04/20/612010420.db2.gz HFNDIFCBEHPXPV-HRCADAONSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccn(C)c2)C1 ZINC000950431812 612016869 /nfs/dbraw/zinc/01/68/69/612016869.db2.gz SYHWIEMUMRLYCP-IRXDYDNUSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccn(C)c2)C1 ZINC000950431812 612016871 /nfs/dbraw/zinc/01/68/71/612016871.db2.gz SYHWIEMUMRLYCP-IRXDYDNUSA-N 1 1 342.443 0.844 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000949523634 612019792 /nfs/dbraw/zinc/01/97/92/612019792.db2.gz WRJKCPYBGFIUQQ-UHFFFAOYSA-N 1 1 349.431 0.405 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000949528968 612022238 /nfs/dbraw/zinc/02/22/38/612022238.db2.gz GYVDCGJXVYARKR-MRXNPFEDSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000949528968 612022239 /nfs/dbraw/zinc/02/22/39/612022239.db2.gz GYVDCGJXVYARKR-MRXNPFEDSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccns2)C[C@H]1C ZINC000949667696 612056717 /nfs/dbraw/zinc/05/67/17/612056717.db2.gz WCMOCKZGDBRKHN-MCIONIFRSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccns2)C[C@H]1C ZINC000949667696 612056719 /nfs/dbraw/zinc/05/67/19/612056719.db2.gz WCMOCKZGDBRKHN-MCIONIFRSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2=CCOCC2)C1 ZINC000950546968 612064336 /nfs/dbraw/zinc/06/43/36/612064336.db2.gz WHWMNOIKPVQZQY-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C2=CCOCC2)C1 ZINC000950546968 612064338 /nfs/dbraw/zinc/06/43/38/612064338.db2.gz WHWMNOIKPVQZQY-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)COC ZINC000952738847 612086206 /nfs/dbraw/zinc/08/62/06/612086206.db2.gz RZVKXETTYFJGLA-XHSDSOJGSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)COC ZINC000952738847 612086209 /nfs/dbraw/zinc/08/62/09/612086209.db2.gz RZVKXETTYFJGLA-XHSDSOJGSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2=COCCC2)C1 ZINC000951223334 612087929 /nfs/dbraw/zinc/08/79/29/612087929.db2.gz DWUKELCGXIZUSZ-SJORKVTESA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2=COCCC2)C1 ZINC000951223334 612087932 /nfs/dbraw/zinc/08/79/32/612087932.db2.gz DWUKELCGXIZUSZ-SJORKVTESA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccsn2)C1 ZINC000951223602 612088411 /nfs/dbraw/zinc/08/84/11/612088411.db2.gz LPDWSDQZKZYWSK-ZFWWWQNUSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccsn2)C1 ZINC000951223602 612088413 /nfs/dbraw/zinc/08/84/13/612088413.db2.gz LPDWSDQZKZYWSK-ZFWWWQNUSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cncs2)C1 ZINC000951223708 612088487 /nfs/dbraw/zinc/08/84/87/612088487.db2.gz NYTISYYJAWLAME-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cncs2)C1 ZINC000951223708 612088489 /nfs/dbraw/zinc/08/84/89/612088489.db2.gz NYTISYYJAWLAME-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCC[N@@H+]2C)nc1 ZINC000951377701 612194314 /nfs/dbraw/zinc/19/43/14/612194314.db2.gz FIOYVVRIGPGWJQ-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000951410843 612211430 /nfs/dbraw/zinc/21/14/30/612211430.db2.gz NSJPMYBJHKVTTP-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000952154234 612253014 /nfs/dbraw/zinc/25/30/14/612253014.db2.gz MBJFAAXUSADQGY-CHWSQXEVSA-N 1 1 345.403 0.761 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000955340209 612462278 /nfs/dbraw/zinc/46/22/78/612462278.db2.gz HJIWHTBDXINACO-BMFZPTHFSA-N 1 1 335.448 0.589 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000955341486 612464759 /nfs/dbraw/zinc/46/47/59/612464759.db2.gz QJLDKKAQFJALAA-OIISXLGYSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C)n2C)C1 ZINC000954630332 612466828 /nfs/dbraw/zinc/46/68/28/612466828.db2.gz BYWYNIFJYMQKQY-KRWDZBQOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C)n2C)C1 ZINC000954630332 612466832 /nfs/dbraw/zinc/46/68/32/612466832.db2.gz BYWYNIFJYMQKQY-KRWDZBQOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC000954631112 612469520 /nfs/dbraw/zinc/46/95/20/612469520.db2.gz PDNPHGDCBUKJEN-KBMXLJTQSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC000954631112 612469523 /nfs/dbraw/zinc/46/95/23/612469523.db2.gz PDNPHGDCBUKJEN-KBMXLJTQSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccccc2O)C1 ZINC000954630884 612469633 /nfs/dbraw/zinc/46/96/33/612469633.db2.gz NVELZDBLPUTIKT-INIZCTEOSA-N 1 1 341.411 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccccc2O)C1 ZINC000954630884 612469637 /nfs/dbraw/zinc/46/96/37/612469637.db2.gz NVELZDBLPUTIKT-INIZCTEOSA-N 1 1 341.411 0.773 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000955343874 612470172 /nfs/dbraw/zinc/47/01/72/612470172.db2.gz HHRABLCFCBVLEN-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ocnc2C)C1 ZINC000954631329 612470436 /nfs/dbraw/zinc/47/04/36/612470436.db2.gz WVLWPVUVKJGHNJ-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ocnc2C)C1 ZINC000954631329 612470438 /nfs/dbraw/zinc/47/04/38/612470438.db2.gz WVLWPVUVKJGHNJ-AWEZNQCLSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2cc(C)n[nH]2)C1 ZINC000954631561 612470446 /nfs/dbraw/zinc/47/04/46/612470446.db2.gz ZGPYGMAQJHGAQO-INIZCTEOSA-N 1 1 343.431 0.027 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2cc(C)n[nH]2)C1 ZINC000954631561 612470448 /nfs/dbraw/zinc/47/04/48/612470448.db2.gz ZGPYGMAQJHGAQO-INIZCTEOSA-N 1 1 343.431 0.027 20 30 ECEDMO CN(C(=O)c1cc(C[NH+](C)C)on1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954688211 612546620 /nfs/dbraw/zinc/54/66/20/612546620.db2.gz WVMPULHTERPDHX-UHFFFAOYSA-N 1 1 330.388 0.432 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956802257 612565539 /nfs/dbraw/zinc/56/55/39/612565539.db2.gz JEIBCZAAFHLLCX-GUYCJALGSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC000954707323 612575871 /nfs/dbraw/zinc/57/58/71/612575871.db2.gz UILXXEGNFHMXNS-QGZVFWFLSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000954043050 612584977 /nfs/dbraw/zinc/58/49/77/612584977.db2.gz LIOOZDQSFOVERG-IRXDYDNUSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000954043050 612584979 /nfs/dbraw/zinc/58/49/79/612584979.db2.gz LIOOZDQSFOVERG-IRXDYDNUSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000954044520 612585652 /nfs/dbraw/zinc/58/56/52/612585652.db2.gz FKHOHWMPQYPKFQ-INIZCTEOSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000954044520 612585655 /nfs/dbraw/zinc/58/56/55/612585655.db2.gz FKHOHWMPQYPKFQ-INIZCTEOSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000954044520 612585659 /nfs/dbraw/zinc/58/56/59/612585659.db2.gz FKHOHWMPQYPKFQ-INIZCTEOSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000954044520 612585662 /nfs/dbraw/zinc/58/56/62/612585662.db2.gz FKHOHWMPQYPKFQ-INIZCTEOSA-N 1 1 343.431 0.570 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000956837678 612607488 /nfs/dbraw/zinc/60/74/88/612607488.db2.gz PKYBHKBTMGIXPC-DFHBCGBQSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1[nH]cnc1C ZINC000956072320 612675968 /nfs/dbraw/zinc/67/59/68/612675968.db2.gz BKTWUMDLWLOESL-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1[nH]cnc1C ZINC000956072320 612675970 /nfs/dbraw/zinc/67/59/70/612675970.db2.gz BKTWUMDLWLOESL-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000956073102 612677536 /nfs/dbraw/zinc/67/75/36/612677536.db2.gz NKUPSBHBBYMZIG-BBWFWOEESA-N 1 1 346.475 0.285 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956108868 612713788 /nfs/dbraw/zinc/71/37/88/612713788.db2.gz AQSUMMFWNDCKNU-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cn3cc[nH+]c3C)C2)nc1 ZINC000954913639 612783290 /nfs/dbraw/zinc/78/32/90/612783290.db2.gz ZEVDDJNZCAWXNM-UHFFFAOYSA-N 1 1 337.383 0.551 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nc1 ZINC000954917851 612786397 /nfs/dbraw/zinc/78/63/97/612786397.db2.gz VGFTVFNPLHGEGZ-QGZVFWFLSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cc(C)no2)C1 ZINC000956696126 612934173 /nfs/dbraw/zinc/93/41/73/612934173.db2.gz SXAQLLOGUJWBIK-KBXCAEBGSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cc(C)no2)C1 ZINC000956696126 612934174 /nfs/dbraw/zinc/93/41/74/612934174.db2.gz SXAQLLOGUJWBIK-KBXCAEBGSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccn[nH]2)C1 ZINC000956719294 612936853 /nfs/dbraw/zinc/93/68/53/612936853.db2.gz JRSKIGGPWNQUQG-YOEHRIQHSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccn[nH]2)C1 ZINC000956719294 612936854 /nfs/dbraw/zinc/93/68/54/612936854.db2.gz JRSKIGGPWNQUQG-YOEHRIQHSA-N 1 1 329.404 0.228 20 30 ECEDMO CCN(CCNC(=O)CC[NH+]1CCOCC1)c1ncc(C#N)cc1F ZINC001100562095 735357773 /nfs/dbraw/zinc/35/77/73/735357773.db2.gz ZUGKSBVYRNAZCH-UHFFFAOYSA-N 1 1 349.410 0.757 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC001041786245 782203232 /nfs/dbraw/zinc/20/32/32/782203232.db2.gz TWYDLBSXIJNXDV-GOSISDBHSA-N 1 1 339.399 0.996 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC001041786855 782206120 /nfs/dbraw/zinc/20/61/20/782206120.db2.gz WITXHDGJQBIWMX-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786855 782206127 /nfs/dbraw/zinc/20/61/27/782206127.db2.gz WITXHDGJQBIWMX-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC001041786855 782206133 /nfs/dbraw/zinc/20/61/33/782206133.db2.gz WITXHDGJQBIWMX-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786855 782206138 /nfs/dbraw/zinc/20/61/38/782206138.db2.gz WITXHDGJQBIWMX-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC001041786855 782206143 /nfs/dbraw/zinc/20/61/43/782206143.db2.gz WITXHDGJQBIWMX-RDTXWAMCSA-N 1 1 327.432 0.857 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000971952655 735436523 /nfs/dbraw/zinc/43/65/23/735436523.db2.gz KXPYAUPKSIBEJD-CQSZACIVSA-N 1 1 329.466 0.521 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CNc1ccnc(C#N)n1)C(C)(C)C ZINC001125810833 738435733 /nfs/dbraw/zinc/43/57/33/738435733.db2.gz FQAANXKSMWQTQP-OLZOCXBDSA-N 1 1 330.436 0.807 20 30 ECEDMO C#CCOCCC(=O)N1CCO[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC001111954505 738493434 /nfs/dbraw/zinc/49/34/34/738493434.db2.gz COFCBZSMHPXAFB-HNNXBMFYSA-N 1 1 332.404 0.773 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](n2ccnn2)C1 ZINC001069974705 790267642 /nfs/dbraw/zinc/26/76/42/790267642.db2.gz MGBHRLFHIZRNGL-NEPJUHHUSA-N 1 1 344.375 0.201 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](n2ccnn2)C1 ZINC001069974705 790267644 /nfs/dbraw/zinc/26/76/44/790267644.db2.gz MGBHRLFHIZRNGL-NEPJUHHUSA-N 1 1 344.375 0.201 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N ZINC001125279638 731561131 /nfs/dbraw/zinc/56/11/31/731561131.db2.gz KVPCJFRQBPRJCC-KBPBESRZSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H](n2ccnn2)C1 ZINC001069979126 790272087 /nfs/dbraw/zinc/27/20/87/790272087.db2.gz AMHNTEFWKZURIY-YPMHNXCESA-N 1 1 347.810 0.344 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H](n2ccnn2)C1 ZINC001069979126 790272090 /nfs/dbraw/zinc/27/20/90/790272090.db2.gz AMHNTEFWKZURIY-YPMHNXCESA-N 1 1 347.810 0.344 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3snnc3C)C2)C1=O ZINC000969279635 731670188 /nfs/dbraw/zinc/67/01/88/731670188.db2.gz AYPUOVWYTWYJDY-ZWNOBZJWSA-N 1 1 349.460 0.684 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C)no3)C2)C1=O ZINC000969288407 731680197 /nfs/dbraw/zinc/68/01/97/731680197.db2.gz XRISEBSRWRRBAI-JSGCOSHPSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cncs3)C2)C1=O ZINC000969359581 731756912 /nfs/dbraw/zinc/75/69/12/731756912.db2.gz VXMYUSLNKNNQHP-WCQYABFASA-N 1 1 334.445 0.980 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973008845 738539266 /nfs/dbraw/zinc/53/92/66/738539266.db2.gz HHKHNULCCWOOFC-IAQYHMDHSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973008845 738539269 /nfs/dbraw/zinc/53/92/69/738539269.db2.gz HHKHNULCCWOOFC-IAQYHMDHSA-N 1 1 343.431 0.994 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCc4nc[nH]c43)[C@H]2C1 ZINC001083189652 731849661 /nfs/dbraw/zinc/84/96/61/731849661.db2.gz BOTNKANNIZRAKM-CWRNSKLLSA-N 1 1 328.416 0.765 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1COCCN1C)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969517285 731937296 /nfs/dbraw/zinc/93/72/96/731937296.db2.gz IRPQNCGWHPLCDN-APWZRJJASA-N 1 1 341.455 0.805 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000969514470 731940884 /nfs/dbraw/zinc/94/08/84/731940884.db2.gz ORTBISYTURLWQT-LLVKDONJSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000969527643 731945627 /nfs/dbraw/zinc/94/56/27/731945627.db2.gz ZAERHTVYRGTZJA-BLLLJJGKSA-N 1 1 341.415 0.723 20 30 ECEDMO CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000969525723 731948471 /nfs/dbraw/zinc/94/84/71/731948471.db2.gz DJAFQEHABZVHBP-NHYWBVRUSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cncnc3)C2)C1=O ZINC000969539474 731955381 /nfs/dbraw/zinc/95/53/81/731955381.db2.gz OFFRJKZVABERNT-WFASDCNBSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC000969721226 732082692 /nfs/dbraw/zinc/08/26/92/732082692.db2.gz CAERKXBMOAJLKM-NXOAAHMSSA-N 1 1 348.491 0.694 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973049214 738582423 /nfs/dbraw/zinc/58/24/23/738582423.db2.gz ZKPBJZDLNGCTKI-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973049214 738582427 /nfs/dbraw/zinc/58/24/27/738582427.db2.gz ZKPBJZDLNGCTKI-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3nc4nccc(C)n4n3)C2)C1 ZINC001041812889 782254630 /nfs/dbraw/zinc/25/46/30/782254630.db2.gz OPNZHGJRFJDGKJ-GOSISDBHSA-N 1 1 338.415 0.994 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(C)c2)C1 ZINC001111583110 732435599 /nfs/dbraw/zinc/43/55/99/732435599.db2.gz HIQYSOVDEJKSDG-YOEHRIQHSA-N 1 1 331.420 0.307 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(C)c2)C1 ZINC001111583110 732435601 /nfs/dbraw/zinc/43/56/01/732435601.db2.gz HIQYSOVDEJKSDG-YOEHRIQHSA-N 1 1 331.420 0.307 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nccc(C)n2)C1 ZINC000969867738 732462422 /nfs/dbraw/zinc/46/24/22/732462422.db2.gz FRXVDHGUZPGBJM-WBVHZDCISA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nccc(C)n2)C1 ZINC000969867738 732462423 /nfs/dbraw/zinc/46/24/23/732462423.db2.gz FRXVDHGUZPGBJM-WBVHZDCISA-N 1 1 341.459 0.819 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001041817118 782262273 /nfs/dbraw/zinc/26/22/73/782262273.db2.gz VPXCZSMSVAARAC-SFHVURJKSA-N 1 1 348.447 0.817 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC000969910162 732506056 /nfs/dbraw/zinc/50/60/56/732506056.db2.gz DQZNMVFBGGQVTO-GXFFZTMASA-N 1 1 347.419 0.261 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCNC2=O)C1 ZINC001111774921 738628006 /nfs/dbraw/zinc/62/80/06/738628006.db2.gz HJGNESBMADGNFO-VKJFTORMSA-N 1 1 335.448 0.686 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)COCCCOC)CC1 ZINC001098527333 732733373 /nfs/dbraw/zinc/73/33/73/732733373.db2.gz YSLGASBWAAUUNS-UHFFFAOYSA-N 1 1 328.453 0.901 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)[nH]3)[C@H]2C1 ZINC001083196470 732955563 /nfs/dbraw/zinc/95/55/63/732955563.db2.gz UFDFPYDORQHSAD-LSDHHAIUSA-N 1 1 332.404 0.605 20 30 ECEDMO N#Cc1ccc(Nc2cc(N3CC[NH+](CCO)CC3)ncn2)cn1 ZINC001209545666 733009204 /nfs/dbraw/zinc/00/92/04/733009204.db2.gz NWFAKCCMSDKOOS-UHFFFAOYSA-N 1 1 325.376 0.601 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3nccn4ccnc34)[C@H]2C1 ZINC001083196912 733016687 /nfs/dbraw/zinc/01/66/87/733016687.db2.gz NSVVFGCYDXTSMG-UONOGXRCSA-N 1 1 325.372 0.278 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccc(C#N)nc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125327539 733048547 /nfs/dbraw/zinc/04/85/47/733048547.db2.gz SSJULXILYCWMJQ-DLBZAZTESA-N 1 1 345.447 0.693 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CCCC(=O)NCCC)CC1 ZINC001098534821 733106344 /nfs/dbraw/zinc/10/63/44/733106344.db2.gz HQCANOLQIGDMIJ-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC001041839389 782318077 /nfs/dbraw/zinc/31/80/77/782318077.db2.gz NAYNUJUXVYBOJO-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nccn3C)C2)nn1 ZINC000970227167 733225118 /nfs/dbraw/zinc/22/51/18/733225118.db2.gz HWBCSHDPDKNLSC-CYBMUJFWSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3coc(OC)n3)C2)C1=O ZINC000970219644 733229829 /nfs/dbraw/zinc/22/98/29/733229829.db2.gz GIYHLTSMNKBFOF-SMDDNHRTSA-N 1 1 348.403 0.520 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970263885 733272485 /nfs/dbraw/zinc/27/24/85/733272485.db2.gz GORPWJPZIAIKTJ-ABAIWWIYSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCN(C)C1=O)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970292401 733318676 /nfs/dbraw/zinc/31/86/76/733318676.db2.gz LLJJTSMPZFHBQE-MAUKXSAKSA-N 1 1 339.439 0.953 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2O)CC1 ZINC000970322011 733354175 /nfs/dbraw/zinc/35/41/75/733354175.db2.gz ARTJFGGSPWWBIL-OAGGEKHMSA-N 1 1 335.448 0.515 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 ZINC001078123437 782339164 /nfs/dbraw/zinc/33/91/64/782339164.db2.gz SKRCYHVCRFXCCP-CHWSQXEVSA-N 1 1 330.392 0.174 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ncnn2C)cn1 ZINC001025142171 738713415 /nfs/dbraw/zinc/71/34/15/738713415.db2.gz QDDLGHIWYHGOKB-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO C=CCOCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(C)cn2)C1 ZINC001149128576 738716220 /nfs/dbraw/zinc/71/62/20/738716220.db2.gz AYZWMYIXCPZECS-OAHLLOKOSA-N 1 1 334.420 0.808 20 30 ECEDMO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970431850 733514886 /nfs/dbraw/zinc/51/48/86/733514886.db2.gz RNDUWCMYVKDBFP-VUCTXSBTSA-N 1 1 343.402 0.735 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000970511898 733631008 /nfs/dbraw/zinc/63/10/08/733631008.db2.gz QCTQQVNNSHEWNR-CYBMUJFWSA-N 1 1 340.387 0.524 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000970511326 733632558 /nfs/dbraw/zinc/63/25/58/733632558.db2.gz HIURRTDMKFIWAM-CQSZACIVSA-N 1 1 339.399 0.831 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC000970561970 733676604 /nfs/dbraw/zinc/67/66/04/733676604.db2.gz DOGANQGHZZPOGS-DOMZBBRYSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC001078143537 782370466 /nfs/dbraw/zinc/37/04/66/782370466.db2.gz YTTKYKNCNZLMMK-GHMZBOCLSA-N 1 1 330.310 0.087 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)C1 ZINC001025177559 738762490 /nfs/dbraw/zinc/76/24/90/738762490.db2.gz NKIPMFOEXSYRDW-GVDBMIGSSA-N 1 1 347.459 0.210 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCN(C)C3=O)C2)nc1 ZINC000970761949 733921819 /nfs/dbraw/zinc/92/18/19/733921819.db2.gz AWKZHJJITDFUBO-WBMJQRKESA-N 1 1 326.400 0.344 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCN(C)C3=O)C2)nc1 ZINC000970761947 733921958 /nfs/dbraw/zinc/92/19/58/733921958.db2.gz AWKZHJJITDFUBO-LRDDRELGSA-N 1 1 326.400 0.344 20 30 ECEDMO C=C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1)c1ccccc1 ZINC000970775409 733931571 /nfs/dbraw/zinc/93/15/71/733931571.db2.gz QMSPFIDFTPZHPO-HUUCEWRRSA-N 1 1 326.404 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncoc2CC)C1 ZINC000973115492 738778549 /nfs/dbraw/zinc/77/85/49/738778549.db2.gz XOOKEKLKRNSGGN-IHRRRGAJSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncoc2CC)C1 ZINC000973115492 738778551 /nfs/dbraw/zinc/77/85/51/738778551.db2.gz XOOKEKLKRNSGGN-IHRRRGAJSA-N 1 1 344.415 0.712 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)[C@H]2C1 ZINC001083209211 734119084 /nfs/dbraw/zinc/11/90/84/734119084.db2.gz VRCIYNHTVITMKB-LSDHHAIUSA-N 1 1 328.372 0.980 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)[C@H]2C1 ZINC001083209211 734119086 /nfs/dbraw/zinc/11/90/86/734119086.db2.gz VRCIYNHTVITMKB-LSDHHAIUSA-N 1 1 328.372 0.980 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CNc3ncccc3C#N)CC2)C1 ZINC001067476780 734194455 /nfs/dbraw/zinc/19/44/55/734194455.db2.gz FXRHBTOWXYQKBV-OAHLLOKOSA-N 1 1 343.431 0.670 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C)on3)C2)C1=O ZINC000971035624 734195850 /nfs/dbraw/zinc/19/58/50/734195850.db2.gz VDIAMDDIRYXSSE-HIFRSBDPSA-N 1 1 332.404 0.916 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971043316 734203992 /nfs/dbraw/zinc/20/39/92/734203992.db2.gz BDXBUZAVGVIWIG-CQSZACIVSA-N 1 1 343.366 0.417 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971043316 734203995 /nfs/dbraw/zinc/20/39/95/734203995.db2.gz BDXBUZAVGVIWIG-CQSZACIVSA-N 1 1 343.366 0.417 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ccncc2C#N)CCO1 ZINC001104318117 734276819 /nfs/dbraw/zinc/27/68/19/734276819.db2.gz BORZMQMNMGJCEM-OAHLLOKOSA-N 1 1 331.420 0.615 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(c3ncccc3C#N)CCO2)C1 ZINC001104321385 734295607 /nfs/dbraw/zinc/29/56/07/734295607.db2.gz CWUVBXACWFNMBR-ZBFHGGJFSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(c3ccncc3C#N)CCO2)C1 ZINC001104321313 734295668 /nfs/dbraw/zinc/29/56/68/734295668.db2.gz AIYJGHXVUZNRNR-GOEBONIOSA-N 1 1 343.431 0.616 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001098548133 734317700 /nfs/dbraw/zinc/31/77/00/734317700.db2.gz PCFKKMGLGNDCIG-MRXNPFEDSA-N 1 1 337.464 0.716 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC001098548153 734320685 /nfs/dbraw/zinc/32/06/85/734320685.db2.gz QBNWXWUZEUKOFB-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cccnc3)C2)C1=O ZINC000971348969 734462690 /nfs/dbraw/zinc/46/26/90/734462690.db2.gz ZGTIBAHEFJAQCA-IRXDYDNUSA-N 1 1 342.443 0.944 20 30 ECEDMO C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087152082 734478884 /nfs/dbraw/zinc/47/88/84/734478884.db2.gz ZURNDYJEYMUWPN-RISCZKNCSA-N 1 1 342.407 0.440 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@@H+]2CC(N)=O)c1 ZINC001025219312 738824562 /nfs/dbraw/zinc/82/45/62/738824562.db2.gz VDEJOQBMBWXVEC-HUUCEWRRSA-N 1 1 329.404 0.831 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001078171100 782422387 /nfs/dbraw/zinc/42/23/87/782422387.db2.gz RIDNHOWQCUDCHS-HZPDHXFCSA-N 1 1 327.384 0.975 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001078171100 782422395 /nfs/dbraw/zinc/42/23/95/782422395.db2.gz RIDNHOWQCUDCHS-HZPDHXFCSA-N 1 1 327.384 0.975 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]2O)C1 ZINC001078174252 782426381 /nfs/dbraw/zinc/42/63/81/782426381.db2.gz GKUKJTKJVWOKAL-IAOVAPTHSA-N 1 1 346.406 0.310 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@@H+]2CC(N)=O)[nH]1 ZINC001025222889 738834026 /nfs/dbraw/zinc/83/40/26/738834026.db2.gz XOPFUBJSPYGMNR-GJZGRUSLSA-N 1 1 329.404 0.831 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H](C)COC)C[C@@H]32)nn1 ZINC001083219953 734676624 /nfs/dbraw/zinc/67/66/24/734676624.db2.gz WFGZBUXCJKTVAN-CWRNSKLLSA-N 1 1 349.435 0.414 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H](C)COC)C[C@@H]32)nn1 ZINC001083219953 734676626 /nfs/dbraw/zinc/67/66/26/734676626.db2.gz WFGZBUXCJKTVAN-CWRNSKLLSA-N 1 1 349.435 0.414 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2C)C1 ZINC000973155157 738842001 /nfs/dbraw/zinc/84/20/01/738842001.db2.gz YAFFEDFUVRSANP-JYJNAYRXSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2C)C1 ZINC000973155157 738842008 /nfs/dbraw/zinc/84/20/08/738842008.db2.gz YAFFEDFUVRSANP-JYJNAYRXSA-N 1 1 340.427 0.865 20 30 ECEDMO CC(C)N(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125527774 734798117 /nfs/dbraw/zinc/79/81/17/734798117.db2.gz MTNFMAXQHXPOHC-AWEZNQCLSA-N 1 1 330.436 0.973 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC000971688269 734949411 /nfs/dbraw/zinc/94/94/11/734949411.db2.gz VKNINEAARIZIEP-IRXDYDNUSA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C2)C1=O ZINC000971688269 734949414 /nfs/dbraw/zinc/94/94/14/734949414.db2.gz VKNINEAARIZIEP-IRXDYDNUSA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@H](N(C)[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC000971688269 734949419 /nfs/dbraw/zinc/94/94/19/734949419.db2.gz VKNINEAARIZIEP-IRXDYDNUSA-N 1 1 348.491 0.790 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000973188689 738877012 /nfs/dbraw/zinc/87/70/12/738877012.db2.gz CZKVBKBPJVSLQD-UBHSHLNASA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973190470 738879789 /nfs/dbraw/zinc/87/97/89/738879789.db2.gz JUPQFUNEEJWBEV-DZKIICNBSA-N 1 1 339.399 0.361 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973190470 738879796 /nfs/dbraw/zinc/87/97/96/738879796.db2.gz JUPQFUNEEJWBEV-DZKIICNBSA-N 1 1 339.399 0.361 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ncc4ccccc43)[C@H]2C1 ZINC001083225761 735112745 /nfs/dbraw/zinc/11/27/45/735112745.db2.gz MEBDDWDFAFHGCP-ZWKOTPCHSA-N 1 1 338.411 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(F)cn2)C1 ZINC000973198212 738897590 /nfs/dbraw/zinc/89/75/90/738897590.db2.gz BYNNQNABNLEHNN-DZKIICNBSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(F)cn2)C1 ZINC000973198212 738897592 /nfs/dbraw/zinc/89/75/92/738897592.db2.gz BYNNQNABNLEHNN-DZKIICNBSA-N 1 1 344.390 0.695 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC000972248143 735840364 /nfs/dbraw/zinc/84/03/64/735840364.db2.gz WSMWQGRUSVUEEQ-SUMWQHHRSA-N 1 1 336.436 0.673 20 30 ECEDMO Cc1cc(C)n(CC[N@@H+]2CCO[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000972299230 735910958 /nfs/dbraw/zinc/91/09/58/735910958.db2.gz ZGJIMBOLQLJXMD-KBXCAEBGSA-N 1 1 345.447 0.963 20 30 ECEDMO Cc1cc(C)n(CC[N@H+]2CCO[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000972299230 735910959 /nfs/dbraw/zinc/91/09/59/735910959.db2.gz ZGJIMBOLQLJXMD-KBXCAEBGSA-N 1 1 345.447 0.963 20 30 ECEDMO COC[C@@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972319498 735939117 /nfs/dbraw/zinc/93/91/17/735939117.db2.gz LILKMCJYCFHBFF-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972319498 735939120 /nfs/dbraw/zinc/93/91/20/735939120.db2.gz LILKMCJYCFHBFF-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@H]2CCOC2)CCO3)[nH]1 ZINC000972340471 735968452 /nfs/dbraw/zinc/96/84/52/735968452.db2.gz XDLVFPBUMYHTBN-KDOFPFPSSA-N 1 1 344.415 0.840 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341530 735970736 /nfs/dbraw/zinc/97/07/36/735970736.db2.gz HLIGOSWVUJBNHV-KFWWJZLASA-N 1 1 344.390 0.851 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341530 735970740 /nfs/dbraw/zinc/97/07/40/735970740.db2.gz HLIGOSWVUJBNHV-KFWWJZLASA-N 1 1 344.390 0.851 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000972349587 735986439 /nfs/dbraw/zinc/98/64/39/735986439.db2.gz ZUXIYLNYUAAWCA-MRXNPFEDSA-N 1 1 335.408 0.253 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4n[nH]nc4C3)[C@H]2C1 ZINC001083247331 735989014 /nfs/dbraw/zinc/98/90/14/735989014.db2.gz LMHKZJWDEDSDAY-VBNZEHGJSA-N 1 1 331.420 0.397 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccccc3C(N)=O)[C@H]2C1 ZINC001083247768 735997576 /nfs/dbraw/zinc/99/75/76/735997576.db2.gz DUFAWMGBHQBIQD-DLBZAZTESA-N 1 1 343.427 0.816 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3ccccc3C(N)=O)[C@H]2C1 ZINC001083247768 735997579 /nfs/dbraw/zinc/99/75/79/735997579.db2.gz DUFAWMGBHQBIQD-DLBZAZTESA-N 1 1 343.427 0.816 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccn(CC)n3)C2)C1 ZINC000972389552 736106557 /nfs/dbraw/zinc/10/65/57/736106557.db2.gz PXQFUEOHCDHKMC-SFHVURJKSA-N 1 1 330.432 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccn(CC)n3)C2)C1 ZINC000972389552 736106558 /nfs/dbraw/zinc/10/65/58/736106558.db2.gz PXQFUEOHCDHKMC-SFHVURJKSA-N 1 1 330.432 0.772 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([N@@H+](CC=C)CCO)CC2)CC1 ZINC001098570368 736108158 /nfs/dbraw/zinc/10/81/58/736108158.db2.gz AQVAWTVJWPAOSI-UHFFFAOYSA-N 1 1 333.476 0.803 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([N@H+](CC=C)CCO)CC2)CC1 ZINC001098570368 736108161 /nfs/dbraw/zinc/10/81/61/736108161.db2.gz AQVAWTVJWPAOSI-UHFFFAOYSA-N 1 1 333.476 0.803 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001078219981 782512871 /nfs/dbraw/zinc/51/28/71/782512871.db2.gz ULSCAXDIKJRMLY-RBSFLKMASA-N 1 1 333.436 0.276 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccn(C)n3)C2)C1 ZINC000972402023 736125341 /nfs/dbraw/zinc/12/53/41/736125341.db2.gz LEIALZSNHYEDCR-SFHVURJKSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccn(C)n3)C2)C1 ZINC000972402023 736125345 /nfs/dbraw/zinc/12/53/45/736125345.db2.gz LEIALZSNHYEDCR-SFHVURJKSA-N 1 1 330.432 0.679 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972410300 736143457 /nfs/dbraw/zinc/14/34/57/736143457.db2.gz ULDCPBXEEPPTLY-KBXCAEBGSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC000972413583 736149588 /nfs/dbraw/zinc/14/95/88/736149588.db2.gz MZOGGPMHEJXMLN-QGZVFWFLSA-N 1 1 330.388 0.216 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC000972413583 736149589 /nfs/dbraw/zinc/14/95/89/736149589.db2.gz MZOGGPMHEJXMLN-QGZVFWFLSA-N 1 1 330.388 0.216 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972413815 736150264 /nfs/dbraw/zinc/15/02/64/736150264.db2.gz PZHXPDZANUDGRR-KRWDZBQOSA-N 1 1 342.403 0.846 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972413815 736150265 /nfs/dbraw/zinc/15/02/65/736150265.db2.gz PZHXPDZANUDGRR-KRWDZBQOSA-N 1 1 342.403 0.846 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cn(C)nc3C)C2)C1 ZINC000972412876 736153052 /nfs/dbraw/zinc/15/30/52/736153052.db2.gz BBHLXFQPZWYYHC-GOSISDBHSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cn(C)nc3C)C2)C1 ZINC000972412876 736153055 /nfs/dbraw/zinc/15/30/55/736153055.db2.gz BBHLXFQPZWYYHC-GOSISDBHSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 ZINC000972413130 736153211 /nfs/dbraw/zinc/15/32/11/736153211.db2.gz GIHBMWZGPFFVOI-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 ZINC000972413130 736153214 /nfs/dbraw/zinc/15/32/14/736153214.db2.gz GIHBMWZGPFFVOI-SFHVURJKSA-N 1 1 339.399 0.670 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 ZINC000972438620 736195048 /nfs/dbraw/zinc/19/50/48/736195048.db2.gz QCZJIVLRQZRMGG-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 ZINC000972438620 736195050 /nfs/dbraw/zinc/19/50/50/736195050.db2.gz QCZJIVLRQZRMGG-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)C(C)(C)NC(=O)NC)CC1 ZINC001098571805 736195344 /nfs/dbraw/zinc/19/53/44/736195344.db2.gz WVJDKTNPBYNVLD-UHFFFAOYSA-N 1 1 340.468 0.555 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCC(C(N)=O)CC3)C2)C1 ZINC000972445020 736212916 /nfs/dbraw/zinc/21/29/16/736212916.db2.gz YECSZUUAFLQUFM-RJYAGPCLSA-N 1 1 347.459 0.605 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCC(C(N)=O)CC3)C2)C1 ZINC000972445020 736212921 /nfs/dbraw/zinc/21/29/21/736212921.db2.gz YECSZUUAFLQUFM-RJYAGPCLSA-N 1 1 347.459 0.605 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 ZINC000972460052 736255368 /nfs/dbraw/zinc/25/53/68/736255368.db2.gz BJFNBEVOKAQISO-KRWDZBQOSA-N 1 1 332.404 0.369 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 ZINC000972460052 736255371 /nfs/dbraw/zinc/25/53/71/736255371.db2.gz BJFNBEVOKAQISO-KRWDZBQOSA-N 1 1 332.404 0.369 20 30 ECEDMO C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2cccnn21 ZINC001114939642 736268885 /nfs/dbraw/zinc/26/88/85/736268885.db2.gz MCXCPXYUDWCELU-VIKVFOODSA-N 1 1 327.388 0.592 20 30 ECEDMO N#CCN1CCO[C@@]2(CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)C1 ZINC000972467090 736270269 /nfs/dbraw/zinc/27/02/69/736270269.db2.gz VVFSYRJPMRYHCH-SFHVURJKSA-N 1 1 343.431 0.589 20 30 ECEDMO N#Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3nnc[nH]3)C2)ccc1F ZINC001022953717 736312415 /nfs/dbraw/zinc/31/24/15/736312415.db2.gz XSIDAMJVCONLRN-BETUJISGSA-N 1 1 328.351 0.795 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000981966747 751371628 /nfs/dbraw/zinc/37/16/28/751371628.db2.gz CTTOFZVFCCJLHF-CQSZACIVSA-N 1 1 327.432 0.478 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001023208299 736584787 /nfs/dbraw/zinc/58/47/87/736584787.db2.gz OPCQOJYLNZHURJ-IJEWVQPXSA-N 1 1 346.431 0.070 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001023320176 736680169 /nfs/dbraw/zinc/68/01/69/736680169.db2.gz VBIBSYJWFRDFPW-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001023320174 736680446 /nfs/dbraw/zinc/68/04/46/736680446.db2.gz VBIBSYJWFRDFPW-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001023347168 736712987 /nfs/dbraw/zinc/71/29/87/736712987.db2.gz RPEQKRKMVODXHZ-CZUORRHYSA-N 1 1 342.399 0.995 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3n[nH]cc3C)C2)C1=O ZINC001023358784 736733422 /nfs/dbraw/zinc/73/34/22/736733422.db2.gz PGIOMOGAOXGDAE-GJZGRUSLSA-N 1 1 345.447 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ncccn2)C1 ZINC001023424285 736810067 /nfs/dbraw/zinc/81/00/67/736810067.db2.gz STOZBXKOSBPVNG-SJORKVTESA-N 1 1 341.459 0.902 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ncccn2)C1 ZINC001023424285 736810068 /nfs/dbraw/zinc/81/00/68/736810068.db2.gz STOZBXKOSBPVNG-SJORKVTESA-N 1 1 341.459 0.902 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001023465002 736871019 /nfs/dbraw/zinc/87/10/19/736871019.db2.gz JRBSRLSFWRBONP-LBPRGKRZSA-N 1 1 339.417 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc[nH]c3)[C@@H]2C1 ZINC000972574916 736899147 /nfs/dbraw/zinc/89/91/47/736899147.db2.gz GIPHIEWNHHAXOJ-IXDOHACOSA-N 1 1 340.427 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc[nH]c3)[C@@H]2C1 ZINC000972574916 736899151 /nfs/dbraw/zinc/89/91/51/736899151.db2.gz GIPHIEWNHHAXOJ-IXDOHACOSA-N 1 1 340.427 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001023510866 736936382 /nfs/dbraw/zinc/93/63/82/736936382.db2.gz SKBHIJDDAVHWIE-CABCVRRESA-N 1 1 330.432 0.999 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001023543579 736987613 /nfs/dbraw/zinc/98/76/13/736987613.db2.gz MTOVMNTXUSNKNC-INIZCTEOSA-N 1 1 338.415 0.704 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001023564217 737013296 /nfs/dbraw/zinc/01/32/96/737013296.db2.gz IKTAMHMWADUYJF-CVEARBPZSA-N 1 1 341.415 0.568 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000972594042 737023871 /nfs/dbraw/zinc/02/38/71/737023871.db2.gz PKYWISXEOVPSDM-MAUKXSAKSA-N 1 1 335.448 0.925 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)c1 ZINC001023583223 737039284 /nfs/dbraw/zinc/03/92/84/737039284.db2.gz BJABYCKINSLENL-HOCLYGCPSA-N 1 1 326.400 0.393 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC000972597083 737040324 /nfs/dbraw/zinc/04/03/24/737040324.db2.gz RXCUMOXSJWNKJY-KRWDZBQOSA-N 1 1 343.387 0.538 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC000972597083 737040332 /nfs/dbraw/zinc/04/03/32/737040332.db2.gz RXCUMOXSJWNKJY-KRWDZBQOSA-N 1 1 343.387 0.538 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972606272 737083138 /nfs/dbraw/zinc/08/31/38/737083138.db2.gz JJUKFZXZAQLVAH-INIZCTEOSA-N 1 1 339.403 0.668 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972606272 737083142 /nfs/dbraw/zinc/08/31/42/737083142.db2.gz JJUKFZXZAQLVAH-INIZCTEOSA-N 1 1 339.403 0.668 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001023625311 737107369 /nfs/dbraw/zinc/10/73/69/737107369.db2.gz LLYSMOHFPBOZCT-AWEZNQCLSA-N 1 1 326.462 0.663 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1=O ZINC000972618543 737109842 /nfs/dbraw/zinc/10/98/42/737109842.db2.gz JRJYCNNLJVDLIA-KBPBESRZSA-N 1 1 331.420 0.272 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972618448 737110041 /nfs/dbraw/zinc/11/00/41/737110041.db2.gz YXAAGZWSKSWMRJ-QFBILLFUSA-N 1 1 344.459 0.925 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972618448 737110045 /nfs/dbraw/zinc/11/00/45/737110045.db2.gz YXAAGZWSKSWMRJ-QFBILLFUSA-N 1 1 344.459 0.925 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NC)C2)nn1 ZINC001023639961 737125327 /nfs/dbraw/zinc/12/53/27/737125327.db2.gz RZFLGKFFAKXPPZ-CYBMUJFWSA-N 1 1 334.424 0.042 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001023639378 737127273 /nfs/dbraw/zinc/12/72/73/737127273.db2.gz GZHIOZPGQGWMNS-DZGCQCFKSA-N 1 1 346.435 0.185 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972629439 737160095 /nfs/dbraw/zinc/16/00/95/737160095.db2.gz ZIFOWYDXJAVKNP-RTBURBONSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972629439 737160098 /nfs/dbraw/zinc/16/00/98/737160098.db2.gz ZIFOWYDXJAVKNP-RTBURBONSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3ncccn3)C2)C1=O ZINC001023662504 737160138 /nfs/dbraw/zinc/16/01/38/737160138.db2.gz MRSSBGTTYGEDII-GJZGRUSLSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000972633285 737172678 /nfs/dbraw/zinc/17/26/78/737172678.db2.gz BCPCYCKXJYXYBO-CRAIPNDOSA-N 1 1 348.447 0.246 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000972633285 737172682 /nfs/dbraw/zinc/17/26/82/737172682.db2.gz BCPCYCKXJYXYBO-CRAIPNDOSA-N 1 1 348.447 0.246 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972638881 737201286 /nfs/dbraw/zinc/20/12/86/737201286.db2.gz OIDHSAAHQIAIAU-HNAYVOBHSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972638881 737201288 /nfs/dbraw/zinc/20/12/88/737201288.db2.gz OIDHSAAHQIAIAU-HNAYVOBHSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001023741282 737279785 /nfs/dbraw/zinc/27/97/85/737279785.db2.gz SKXMRMUIOWFDRZ-HNNXBMFYSA-N 1 1 328.416 0.930 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 ZINC000972668932 737312506 /nfs/dbraw/zinc/31/25/06/737312506.db2.gz GGHPWPJKBCBLEV-LJQANCHMSA-N 1 1 341.411 0.726 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 ZINC000972668932 737312507 /nfs/dbraw/zinc/31/25/07/737312507.db2.gz GGHPWPJKBCBLEV-LJQANCHMSA-N 1 1 341.411 0.726 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001023763498 737325817 /nfs/dbraw/zinc/32/58/17/737325817.db2.gz PKSWKVVVWMUGDA-CQSZACIVSA-N 1 1 348.451 0.384 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972682913 737372008 /nfs/dbraw/zinc/37/20/08/737372008.db2.gz KDPAWXJPKXPGJJ-GOSISDBHSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972682913 737372010 /nfs/dbraw/zinc/37/20/10/737372010.db2.gz KDPAWXJPKXPGJJ-GOSISDBHSA-N 1 1 342.399 0.121 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001023907399 737474338 /nfs/dbraw/zinc/47/43/38/737474338.db2.gz VANPNNOTOUJXFS-GOEBONIOSA-N 1 1 345.447 0.567 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC000972704422 737503301 /nfs/dbraw/zinc/50/33/01/737503301.db2.gz IHUVPAYPXCRWBL-KBXCAEBGSA-N 1 1 349.431 0.309 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972759792 737603060 /nfs/dbraw/zinc/60/30/60/737603060.db2.gz MWOONYNLIYRBSR-HOTGVXAUSA-N 1 1 326.400 0.870 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972759792 737603062 /nfs/dbraw/zinc/60/30/62/737603062.db2.gz MWOONYNLIYRBSR-HOTGVXAUSA-N 1 1 326.400 0.870 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)c2nn(CC)nc2C)CC1 ZINC001098583750 737613940 /nfs/dbraw/zinc/61/39/40/737613940.db2.gz CBJCPBZCOYDHQL-UHFFFAOYSA-N 1 1 333.436 0.529 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cnccn3)C(C)(C)C2)C1=O ZINC000972769760 737616587 /nfs/dbraw/zinc/61/65/87/737616587.db2.gz PQNUPXNEBVXLAV-GJZGRUSLSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cnccn3)C(C)(C)C2)C1=O ZINC000972769760 737616589 /nfs/dbraw/zinc/61/65/89/737616589.db2.gz PQNUPXNEBVXLAV-GJZGRUSLSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cc(C)n[nH]3)C(C)(C)C2)C1=O ZINC000972830165 737755287 /nfs/dbraw/zinc/75/52/87/737755287.db2.gz CRSSBIVYSLGFRU-GJZGRUSLSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cc(C)n[nH]3)C(C)(C)C2)C1=O ZINC000972830165 737755289 /nfs/dbraw/zinc/75/52/89/737755289.db2.gz CRSSBIVYSLGFRU-GJZGRUSLSA-N 1 1 345.447 0.945 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)/C=C\c2ccccc2C#N)CC1 ZINC000255685785 737755707 /nfs/dbraw/zinc/75/57/07/737755707.db2.gz XARBKNWUJLYWKU-SREVYHEPSA-N 1 1 326.400 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cocn3)C[C@H]21 ZINC000972835166 737758882 /nfs/dbraw/zinc/75/88/82/737758882.db2.gz PANBSCDPKHCBBL-VNQPRFMTSA-N 1 1 342.399 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cocn3)C[C@H]21 ZINC000972835166 737758885 /nfs/dbraw/zinc/75/88/85/737758885.db2.gz PANBSCDPKHCBBL-VNQPRFMTSA-N 1 1 342.399 0.445 20 30 ECEDMO C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001039727158 737892315 /nfs/dbraw/zinc/89/23/15/737892315.db2.gz YACXNQVJNYGACW-YJBOKZPZSA-N 1 1 337.464 0.905 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 ZINC001098586561 738013624 /nfs/dbraw/zinc/01/36/24/738013624.db2.gz JIDQFRILHJDLDD-INIZCTEOSA-N 1 1 337.464 0.016 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1nnc(C)[nH]1 ZINC001024486613 738013923 /nfs/dbraw/zinc/01/39/23/738013923.db2.gz CRHUKLUUQCSUTF-CVEARBPZSA-N 1 1 344.463 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1nnc(C)[nH]1 ZINC001024486613 738013926 /nfs/dbraw/zinc/01/39/26/738013926.db2.gz CRHUKLUUQCSUTF-CVEARBPZSA-N 1 1 344.463 0.681 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccn(C)n1 ZINC001024486850 738014127 /nfs/dbraw/zinc/01/41/27/738014127.db2.gz KCHCLLXLWIMUJU-ROUUACIJSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccn(C)n1 ZINC001024486850 738014131 /nfs/dbraw/zinc/01/41/31/738014131.db2.gz KCHCLLXLWIMUJU-ROUUACIJSA-N 1 1 343.475 0.988 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC001087279968 738080674 /nfs/dbraw/zinc/08/06/74/738080674.db2.gz HISUNFVTKHGAQW-UHOFOFEASA-N 1 1 343.431 0.851 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCOCC3=O)C(C)(C)[C@H]21 ZINC001087289121 738123450 /nfs/dbraw/zinc/12/34/50/738123450.db2.gz HCESNWVBRBJLDM-OLMNPRSZSA-N 1 1 347.459 0.474 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1ncn(C)c1=O ZINC001087292131 738133457 /nfs/dbraw/zinc/13/34/57/738133457.db2.gz GXVWUNPCGDMWEI-VNQPRFMTSA-N 1 1 347.463 0.763 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3ncn(C)c3=O)C(C)(C)[C@H]21 ZINC001087292130 738133534 /nfs/dbraw/zinc/13/35/34/738133534.db2.gz GXVWUNPCGDMWEI-KBMXLJTQSA-N 1 1 347.463 0.763 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C(C)(C)[C@H]21 ZINC001087293755 738137199 /nfs/dbraw/zinc/13/71/99/738137199.db2.gz JOAXQQFFMYGBGQ-WQVCFCJDSA-N 1 1 346.431 0.740 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@H]21 ZINC001087299629 738163731 /nfs/dbraw/zinc/16/37/31/738163731.db2.gz ZQRKZSOIYOMLQM-JLSDUUJJSA-N 1 1 346.475 0.047 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)s1 ZINC001024626717 738178385 /nfs/dbraw/zinc/17/83/85/738178385.db2.gz GENFLTNFKKSBJW-RISCZKNCSA-N 1 1 347.444 0.772 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)s1 ZINC001024626717 738178387 /nfs/dbraw/zinc/17/83/87/738178387.db2.gz GENFLTNFKKSBJW-RISCZKNCSA-N 1 1 347.444 0.772 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001024628526 738185614 /nfs/dbraw/zinc/18/56/14/738185614.db2.gz RYLVDZVPGZATBY-JKSUJKDBSA-N 1 1 341.415 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001024635520 738189737 /nfs/dbraw/zinc/18/97/37/738189737.db2.gz GRAFZSDGJIYHOG-TZMCWYRMSA-N 1 1 349.410 0.920 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001024635520 738189740 /nfs/dbraw/zinc/18/97/40/738189740.db2.gz GRAFZSDGJIYHOG-TZMCWYRMSA-N 1 1 349.410 0.920 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC(N)=O)[C@@H]3C2(C)C)c1 ZINC001087303794 738190525 /nfs/dbraw/zinc/19/05/25/738190525.db2.gz RTTQIRGJSAGXDY-UAGQMJEPSA-N 1 1 340.427 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CC(N)=O)[C@@H]3C2(C)C)c1 ZINC001087303794 738190526 /nfs/dbraw/zinc/19/05/26/738190526.db2.gz RTTQIRGJSAGXDY-UAGQMJEPSA-N 1 1 340.427 0.767 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001024644563 738197156 /nfs/dbraw/zinc/19/71/56/738197156.db2.gz SFPBJHMNQVRYKK-NSHDSACASA-N 1 1 341.437 0.218 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001024685908 738218885 /nfs/dbraw/zinc/21/88/85/738218885.db2.gz QIOVUCYAPQNVLR-ZDUSSCGKSA-N 1 1 334.420 0.244 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC001087317047 738282323 /nfs/dbraw/zinc/28/23/23/738282323.db2.gz BOBVIAQADNJNGM-UHOFOFEASA-N 1 1 346.431 0.119 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1C(=O)CNC1=O ZINC001087317245 738282782 /nfs/dbraw/zinc/28/27/82/738282782.db2.gz FRASMOPKEDUKDE-BYCMXARLSA-N 1 1 334.420 0.329 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c(C)n[nH]c3C)[C@H]2C1 ZINC001083271995 738282814 /nfs/dbraw/zinc/28/28/14/738282814.db2.gz OCZYVKRAXMFIAM-DLBZAZTESA-N 1 1 330.432 0.894 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001024776572 738289469 /nfs/dbraw/zinc/28/94/69/738289469.db2.gz FMEYCMORVXTGER-RBSFLKMASA-N 1 1 337.464 0.618 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001024902739 738383641 /nfs/dbraw/zinc/38/36/41/738383641.db2.gz ZJCQGGHEYKKCOJ-QWHCGFSZSA-N 1 1 332.408 0.439 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 ZINC001025246328 738920681 /nfs/dbraw/zinc/92/06/81/738920681.db2.gz VSLWBZABGPJKEC-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2nnn(C(C)C)c2C)CC1 ZINC001098515352 751404295 /nfs/dbraw/zinc/40/42/95/751404295.db2.gz AZLUHRSGYGULGQ-UHFFFAOYSA-N 1 1 333.436 0.700 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O ZINC001025283901 739008974 /nfs/dbraw/zinc/00/89/74/739008974.db2.gz CHGPNVXHNLGHGF-LSDHHAIUSA-N 1 1 348.447 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001025290063 739011094 /nfs/dbraw/zinc/01/10/94/739011094.db2.gz XOEQLCGJMHEURG-GJZGRUSLSA-N 1 1 346.431 0.359 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025297904 739018765 /nfs/dbraw/zinc/01/87/65/739018765.db2.gz RTJYNLKOHNBANE-HUUCEWRRSA-N 1 1 346.431 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001025298090 739018829 /nfs/dbraw/zinc/01/88/29/739018829.db2.gz UCKBXTAINMFAER-HUUCEWRRSA-N 1 1 346.431 0.359 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000973285090 739047761 /nfs/dbraw/zinc/04/77/61/739047761.db2.gz LHUVSOZVRBCFDF-AAVRWANBSA-N 1 1 346.435 0.181 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000987985320 751410373 /nfs/dbraw/zinc/41/03/73/751410373.db2.gz MZLYPHZEPAUAMB-CVEARBPZSA-N 1 1 333.432 0.037 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000987985320 751410379 /nfs/dbraw/zinc/41/03/79/751410379.db2.gz MZLYPHZEPAUAMB-CVEARBPZSA-N 1 1 333.432 0.037 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000987985325 751410454 /nfs/dbraw/zinc/41/04/54/751410454.db2.gz MZLYPHZEPAUAMB-JKSUJKDBSA-N 1 1 333.432 0.037 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000987985325 751410461 /nfs/dbraw/zinc/41/04/61/751410461.db2.gz MZLYPHZEPAUAMB-JKSUJKDBSA-N 1 1 333.432 0.037 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001111999692 739071327 /nfs/dbraw/zinc/07/13/27/739071327.db2.gz WTIGLDOJCBGCTB-HOCLYGCPSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000973320759 739094536 /nfs/dbraw/zinc/09/45/36/739094536.db2.gz RNNGIQUICPPNDN-IHRRRGAJSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000973320759 739094540 /nfs/dbraw/zinc/09/45/40/739094540.db2.gz RNNGIQUICPPNDN-IHRRRGAJSA-N 1 1 329.404 0.193 20 30 ECEDMO C[C@H](CNc1ccncc1C#N)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104623105 739256896 /nfs/dbraw/zinc/25/68/96/739256896.db2.gz SNELAQRBIBJHIC-CQSZACIVSA-N 1 1 331.420 0.356 20 30 ECEDMO Cc1cc(NC[C@H](C)N(C)C(=O)CC[NH+]2CCOCC2)c(C#N)cn1 ZINC001104623365 739257412 /nfs/dbraw/zinc/25/74/12/739257412.db2.gz ZQHRVGAJSDPHFQ-HNNXBMFYSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)NC)nn1 ZINC001028191980 751429911 /nfs/dbraw/zinc/42/99/11/751429911.db2.gz DZDMLCZFRCOZTD-QWHCGFSZSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC)nn1 ZINC001028191980 751429914 /nfs/dbraw/zinc/42/99/14/751429914.db2.gz DZDMLCZFRCOZTD-QWHCGFSZSA-N 1 1 334.424 0.183 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000973466929 739336955 /nfs/dbraw/zinc/33/69/55/739336955.db2.gz OYIFLAPIYSISKB-BZUAXINKSA-N 1 1 340.427 0.782 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC000982009249 751455956 /nfs/dbraw/zinc/45/59/56/751455956.db2.gz KRJIJLRWESVYER-JKSUJKDBSA-N 1 1 347.459 0.570 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC23CCN(c2ccc(C#N)nn2)CC3)C1 ZINC001058636945 739557069 /nfs/dbraw/zinc/55/70/69/739557069.db2.gz YFKSRFBZQRKSDH-DZGCQCFKSA-N 1 1 340.431 0.775 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001025471824 739615131 /nfs/dbraw/zinc/61/51/31/739615131.db2.gz IUFVVNPMSZZEGU-UONOGXRCSA-N 1 1 330.432 0.978 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001025471822 739615250 /nfs/dbraw/zinc/61/52/50/739615250.db2.gz IUFVVNPMSZZEGU-KBPBESRZSA-N 1 1 330.432 0.978 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282804 739653894 /nfs/dbraw/zinc/65/38/94/739653894.db2.gz UOJZGPPSICURKO-HRCADAONSA-N 1 1 343.431 0.084 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001025533253 739694936 /nfs/dbraw/zinc/69/49/36/739694936.db2.gz IBGBOIDUVBUXOW-WDEREUQCSA-N 1 1 341.437 0.073 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3CN(C[C@@H](C)OC)C[C@@H]32)CC1 ZINC001083283703 739744714 /nfs/dbraw/zinc/74/47/14/739744714.db2.gz OTIYXURVJTVOPU-BPQIPLTHSA-N 1 1 349.475 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2nc3nccc(C)n3n2)C1 ZINC001025604674 739769349 /nfs/dbraw/zinc/76/93/49/739769349.db2.gz BHNBXZWGIUNNOA-KGLIPLIRSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025618259 739780625 /nfs/dbraw/zinc/78/06/25/739780625.db2.gz KFTDYDNAZKJTOS-OLZOCXBDSA-N 1 1 332.404 0.340 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058654657 739808376 /nfs/dbraw/zinc/80/83/76/739808376.db2.gz DCTQVSNEKBUPFK-OAHLLOKOSA-N 1 1 340.468 0.595 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H](CC)C(N)=O)C2 ZINC000982023636 751487475 /nfs/dbraw/zinc/48/74/75/751487475.db2.gz PBBGNEJSCHOAPY-ILXRZTDVSA-N 1 1 335.448 0.766 20 30 ECEDMO COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001025705277 739882346 /nfs/dbraw/zinc/88/23/46/739882346.db2.gz KXLMCHBPIMNRNQ-MTSZKFMLSA-N 1 1 339.395 0.914 20 30 ECEDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776107 739944972 /nfs/dbraw/zinc/94/49/72/739944972.db2.gz YGOUFXXNVWKOLT-UUAJXVIYSA-N 1 1 325.368 0.750 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCCN2C)C1=O ZINC001025820291 740007311 /nfs/dbraw/zinc/00/73/11/740007311.db2.gz JUYGZIHJZNSZIY-DMRKSPOLSA-N 1 1 346.475 0.304 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCCN2C)C1=O ZINC001025820291 740007317 /nfs/dbraw/zinc/00/73/17/740007317.db2.gz JUYGZIHJZNSZIY-DMRKSPOLSA-N 1 1 346.475 0.304 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CCCO2)C1 ZINC000988086225 751515334 /nfs/dbraw/zinc/51/53/34/751515334.db2.gz HVEBNNABLWGOMX-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CCCO2)C1 ZINC000988086225 751515337 /nfs/dbraw/zinc/51/53/37/751515337.db2.gz HVEBNNABLWGOMX-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cccnc32)[C@@H](n2ccnn2)C1 ZINC001070010532 790315718 /nfs/dbraw/zinc/31/57/18/790315718.db2.gz ZOBWHVSGDBXKFU-XHSDSOJGSA-N 1 1 338.415 0.931 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3cccnc32)[C@@H](n2ccnn2)C1 ZINC001070010532 790315724 /nfs/dbraw/zinc/31/57/24/790315724.db2.gz ZOBWHVSGDBXKFU-XHSDSOJGSA-N 1 1 338.415 0.931 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCO[C@H]2CC)C1=O ZINC001025915283 740232330 /nfs/dbraw/zinc/23/23/30/740232330.db2.gz LGXYWQUFHDDUDF-JHMPBIJASA-N 1 1 347.459 0.635 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CC[C@@H](C)O4)C[C@H]32)nn1 ZINC001026094208 740370269 /nfs/dbraw/zinc/37/02/69/740370269.db2.gz UTZHQNYHZNQNSH-FAHYXWLWSA-N 1 1 331.420 0.692 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]21 ZINC001026096487 740374923 /nfs/dbraw/zinc/37/49/23/740374923.db2.gz FEEKFXXLOJGLOH-KLOLGFOXSA-N 1 1 335.448 0.668 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCCO)nn1 ZINC001087392720 740422687 /nfs/dbraw/zinc/42/26/87/740422687.db2.gz KTUIDXLPBLLDTE-IVSAIRAKSA-N 1 1 345.447 0.629 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104794816 740519134 /nfs/dbraw/zinc/51/91/34/740519134.db2.gz MEWMWBWQEYVHAB-HIFRSBDPSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104794816 740519137 /nfs/dbraw/zinc/51/91/37/740519137.db2.gz MEWMWBWQEYVHAB-HIFRSBDPSA-N 1 1 346.435 0.716 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1C(F)(F)F ZINC001112056766 740714658 /nfs/dbraw/zinc/71/46/58/740714658.db2.gz NWLYSCQIYFEIDX-GMTAPVOTSA-N 1 1 337.342 0.302 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973994175 740741771 /nfs/dbraw/zinc/74/17/71/740741771.db2.gz FYZRMJQDMJUEQQ-DEQVHRJGSA-N 1 1 329.404 0.461 20 30 ECEDMO C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104870182 740770410 /nfs/dbraw/zinc/77/04/10/740770410.db2.gz QXECBMJAINGIRH-OUCADQQQSA-N 1 1 332.408 0.326 20 30 ECEDMO C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104870182 740770414 /nfs/dbraw/zinc/77/04/14/740770414.db2.gz QXECBMJAINGIRH-OUCADQQQSA-N 1 1 332.408 0.326 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000974048879 740846539 /nfs/dbraw/zinc/84/65/39/740846539.db2.gz QRCLCVUTGVTECW-BNOWGMLFSA-N 1 1 329.404 0.748 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)cn1 ZINC001087406250 741158493 /nfs/dbraw/zinc/15/84/93/741158493.db2.gz WDTVSJPSKUJMKR-SVGFKBNWSA-N 1 1 338.411 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cnoc2)C1 ZINC000974263099 741193541 /nfs/dbraw/zinc/19/35/41/741193541.db2.gz NSNNGQFSTFRLCE-ZNMIVQPWSA-N 1 1 330.388 0.078 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cnoc2)C1 ZINC000974263099 741193544 /nfs/dbraw/zinc/19/35/44/741193544.db2.gz NSNNGQFSTFRLCE-ZNMIVQPWSA-N 1 1 330.388 0.078 20 30 ECEDMO N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001059857352 751614040 /nfs/dbraw/zinc/61/40/40/751614040.db2.gz ZUHFAMCPWKGKAB-IVSAIRAKSA-N 1 1 341.415 0.297 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+]([C@@H]2CCNC2=O)C3)nc1 ZINC000982122962 751617675 /nfs/dbraw/zinc/61/76/75/751617675.db2.gz XGVVJZRCBIRVRV-MRXNPFEDSA-N 1 1 338.411 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H]2CCNC2=O)C3)nc1 ZINC000982122962 751617676 /nfs/dbraw/zinc/61/76/76/751617676.db2.gz XGVVJZRCBIRVRV-MRXNPFEDSA-N 1 1 338.411 0.489 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)[C@@H](C)C1 ZINC001105048167 741241669 /nfs/dbraw/zinc/24/16/69/741241669.db2.gz SFPRLFDNOWEADF-KBPBESRZSA-N 1 1 330.436 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1ncnn1CCC ZINC001038369028 741257141 /nfs/dbraw/zinc/25/71/41/741257141.db2.gz SPOVITKPNTUMBZ-HOTGVXAUSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1ncnn1CCC ZINC001038369028 741257144 /nfs/dbraw/zinc/25/71/44/741257144.db2.gz SPOVITKPNTUMBZ-HOTGVXAUSA-N 1 1 344.463 0.476 20 30 ECEDMO C/C=C(\C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112077986 741306399 /nfs/dbraw/zinc/30/63/99/741306399.db2.gz PATOLYRFNLOBAC-VIXUHMKYSA-N 1 1 332.326 0.571 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCCO3)C2)nn1 ZINC001105211650 741481462 /nfs/dbraw/zinc/48/14/62/741481462.db2.gz UUXLNOJVUNOZTP-MRXNPFEDSA-N 1 1 349.435 0.523 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3cccnc3)C2)nn1 ZINC001105211764 741481509 /nfs/dbraw/zinc/48/15/09/741481509.db2.gz YPMNLQMGSXTQHD-UHFFFAOYSA-N 1 1 326.404 0.965 20 30 ECEDMO O=C(C#CC1CC1)N1CC(n2cc(C[NH2+]CCOC3CCC3)nn2)C1 ZINC001105233045 741519327 /nfs/dbraw/zinc/51/93/27/741519327.db2.gz FSMYOZGZLYLXRO-UHFFFAOYSA-N 1 1 343.431 0.734 20 30 ECEDMO COC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)C#CC(C)(C)C)C2)nn1 ZINC001105237975 741524708 /nfs/dbraw/zinc/52/47/08/741524708.db2.gz FXWMMMBAUXNSKO-CYBMUJFWSA-N 1 1 333.436 0.835 20 30 ECEDMO COC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)C#CC(C)(C)C)C2)nn1 ZINC001105237976 741524719 /nfs/dbraw/zinc/52/47/19/741524719.db2.gz FXWMMMBAUXNSKO-ZDUSSCGKSA-N 1 1 333.436 0.835 20 30 ECEDMO CO[C@@H](C)C[NH2+]Cc1cn(C2CN(C(=O)C#CC(C)(C)C)C2)nn1 ZINC001105238226 741532178 /nfs/dbraw/zinc/53/21/78/741532178.db2.gz QDFQUPPCYIDPRY-ZDUSSCGKSA-N 1 1 333.436 0.835 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105243140 741544040 /nfs/dbraw/zinc/54/40/40/741544040.db2.gz XTNDPTIKEJOCNQ-QGZVFWFLSA-N 1 1 344.463 0.669 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000296710441 741561425 /nfs/dbraw/zinc/56/14/25/741561425.db2.gz LXYXROHEBONDMZ-JKSUJKDBSA-N 1 1 330.384 0.720 20 30 ECEDMO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]C[C@@H](O)COC)nn2)C1 ZINC001105252463 741561932 /nfs/dbraw/zinc/56/19/32/741561932.db2.gz SBIPYQSWFRTOFW-OAHLLOKOSA-N 1 1 337.424 0.115 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3cnc(C)o3)C2)nn1 ZINC001105256378 741576456 /nfs/dbraw/zinc/57/64/56/741576456.db2.gz AONRLGFNCVFDQR-UHFFFAOYSA-N 1 1 330.392 0.866 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105259933 741583253 /nfs/dbraw/zinc/58/32/53/741583253.db2.gz SJJFRLAUWFYHBZ-HNNXBMFYSA-N 1 1 345.451 0.537 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4nc[nH]c4n3)C2)nn1 ZINC001105268115 741609606 /nfs/dbraw/zinc/60/96/06/741609606.db2.gz ABYWWSHZTNDYLO-UHFFFAOYSA-N 1 1 338.375 0.522 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCn4ccnc4C3)C2)nn1 ZINC001105272147 741617484 /nfs/dbraw/zinc/61/74/84/741617484.db2.gz AZUPPQMSOFUGPS-CYBMUJFWSA-N 1 1 341.419 0.396 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccn(C(C)C)n3)C2)nn1 ZINC001105288064 741648643 /nfs/dbraw/zinc/64/86/43/741648643.db2.gz BZFYWXDEVJLECV-UHFFFAOYSA-N 1 1 343.435 0.957 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N[C@H](CC)C3)C2)nn1 ZINC001105290822 741652365 /nfs/dbraw/zinc/65/23/65/741652365.db2.gz YXBBOMIVWHCJGB-CHWSQXEVSA-N 1 1 346.435 0.242 20 30 ECEDMO C#CCCCCC(=O)NCC[NH2+]Cc1cc(=O)n2nc(C)sc2n1 ZINC001125938992 741684066 /nfs/dbraw/zinc/68/40/66/741684066.db2.gz PWEFTZFASDTOQQ-UHFFFAOYSA-N 1 1 347.444 0.859 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)Nc1ccnc(C#N)n1 ZINC001105303661 741699144 /nfs/dbraw/zinc/69/91/44/741699144.db2.gz HSERHKFXVDOSIH-ZIAGYGMSSA-N 1 1 330.436 0.807 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC000982154155 751661408 /nfs/dbraw/zinc/66/14/08/751661408.db2.gz ULBJFTNZLYCZHR-GFCCVEGCSA-N 1 1 347.868 0.355 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC000982154155 751661415 /nfs/dbraw/zinc/66/14/15/751661415.db2.gz ULBJFTNZLYCZHR-GFCCVEGCSA-N 1 1 347.868 0.355 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@](C)(C=C)CC ZINC001058731149 741759847 /nfs/dbraw/zinc/75/98/47/741759847.db2.gz SVZIJUXSQRHNFN-QFBILLFUSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@](C)(C=C)CC ZINC001058731149 741759848 /nfs/dbraw/zinc/75/98/48/741759848.db2.gz SVZIJUXSQRHNFN-QFBILLFUSA-N 1 1 349.475 0.623 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3C[C@@H]3C)C2)nn1 ZINC001105320741 741775024 /nfs/dbraw/zinc/77/50/24/741775024.db2.gz IDUVVJWJPRMHTC-UONOGXRCSA-N 1 1 333.436 1.000 20 30 ECEDMO CC1(C)C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470532 741775570 /nfs/dbraw/zinc/77/55/70/741775570.db2.gz AUGCWCJVWPEOKJ-OLZOCXBDSA-N 1 1 343.387 0.132 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470532 741775573 /nfs/dbraw/zinc/77/55/73/741775573.db2.gz AUGCWCJVWPEOKJ-OLZOCXBDSA-N 1 1 343.387 0.132 20 30 ECEDMO C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326785 741803153 /nfs/dbraw/zinc/80/31/53/741803153.db2.gz GFSYHTSJVYMKHU-CZUORRHYSA-N 1 1 332.452 0.525 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105326785 741803157 /nfs/dbraw/zinc/80/31/57/741803157.db2.gz GFSYHTSJVYMKHU-CZUORRHYSA-N 1 1 332.452 0.525 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326785 741803161 /nfs/dbraw/zinc/80/31/61/741803161.db2.gz GFSYHTSJVYMKHU-CZUORRHYSA-N 1 1 332.452 0.525 20 30 ECEDMO CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000974660870 741968192 /nfs/dbraw/zinc/96/81/92/741968192.db2.gz FFJSRIWLZPZFMW-JKSUJKDBSA-N 1 1 334.464 0.980 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C(C)(C)C1 ZINC000974688071 742006462 /nfs/dbraw/zinc/00/64/62/742006462.db2.gz HBTLLYLBFKRDRJ-JKSUJKDBSA-N 1 1 325.412 0.973 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974749679 742129823 /nfs/dbraw/zinc/12/98/23/742129823.db2.gz GAUQCGDAMFUQTJ-NSHDSACASA-N 1 1 325.390 0.000 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974749679 742129825 /nfs/dbraw/zinc/12/98/25/742129825.db2.gz GAUQCGDAMFUQTJ-NSHDSACASA-N 1 1 325.390 0.000 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000974749983 742144706 /nfs/dbraw/zinc/14/47/06/742144706.db2.gz HBGLFXZRUKAJPM-LBPRGKRZSA-N 1 1 339.417 0.391 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974768305 742159443 /nfs/dbraw/zinc/15/94/43/742159443.db2.gz UBLNGRZLFUNLGE-GFCCVEGCSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)C(C)(C)C1 ZINC000974775923 742175226 /nfs/dbraw/zinc/17/52/26/742175226.db2.gz OYAXYDVXQMSZAT-OAHLLOKOSA-N 1 1 331.416 0.568 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@H]2COCCN2CC2CCC2)C(C)(C)C1 ZINC000974871263 742284668 /nfs/dbraw/zinc/28/46/68/742284668.db2.gz KHUOJTPJWAQXAA-SJORKVTESA-N 1 1 333.476 0.947 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2ccnc3c2nnn3C)C(C)(C)C1 ZINC000974984915 742433520 /nfs/dbraw/zinc/43/35/20/742433520.db2.gz NARVIGNKJVWALJ-ZDUSSCGKSA-N 1 1 326.404 0.827 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)CC2(C)C)c1 ZINC000975012572 742446272 /nfs/dbraw/zinc/44/62/72/742446272.db2.gz QUMWBZFZBPSGFZ-OAHLLOKOSA-N 1 1 328.416 0.591 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)CC2(C)C)c1 ZINC000975012572 742446273 /nfs/dbraw/zinc/44/62/73/742446273.db2.gz QUMWBZFZBPSGFZ-OAHLLOKOSA-N 1 1 328.416 0.591 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cn3cc(Cl)cn3)C2)nn1 ZINC001105337334 742459216 /nfs/dbraw/zinc/45/92/16/742459216.db2.gz ZOWHXTOZCDJLFM-UHFFFAOYSA-N 1 1 349.826 0.877 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000975194692 742587866 /nfs/dbraw/zinc/58/78/66/742587866.db2.gz RZCRHERZWJNTPC-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000975228008 742622719 /nfs/dbraw/zinc/62/27/19/742622719.db2.gz ZBQLNOYIMYWUFL-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000975285593 742671091 /nfs/dbraw/zinc/67/10/91/742671091.db2.gz WQJOJMMOIAJBMP-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001028938847 742930699 /nfs/dbraw/zinc/93/06/99/742930699.db2.gz YSMQDGYXMPNRIE-CQSZACIVSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC000975620341 743156189 /nfs/dbraw/zinc/15/61/89/743156189.db2.gz NNNWQAOHOAVSIF-ULQDDVLXSA-N 1 1 329.444 0.943 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nc1 ZINC000997093927 743227582 /nfs/dbraw/zinc/22/75/82/743227582.db2.gz SLWPONQXOZAFGN-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041982241 782543273 /nfs/dbraw/zinc/54/32/73/782543273.db2.gz KRVFRCKTAZPXKZ-MNOVXSKESA-N 1 1 330.226 0.693 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041982241 782543280 /nfs/dbraw/zinc/54/32/80/782543280.db2.gz KRVFRCKTAZPXKZ-MNOVXSKESA-N 1 1 330.226 0.693 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnco3)C2)nn1 ZINC001098694713 743468560 /nfs/dbraw/zinc/46/85/60/743468560.db2.gz HMANJGTVQDMUQH-AWEZNQCLSA-N 1 1 346.391 0.646 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cn3cccn3)C2)C1=O ZINC001027298883 743511345 /nfs/dbraw/zinc/51/13/45/743511345.db2.gz MMVLMYDPFLWWEJ-CVEARBPZSA-N 1 1 345.447 0.593 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3ccnn3C)CC2)CC1 ZINC000997366170 743537452 /nfs/dbraw/zinc/53/74/52/743537452.db2.gz YVJFVWPWGLHKTN-UHFFFAOYSA-N 1 1 343.475 0.846 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001059172321 743556518 /nfs/dbraw/zinc/55/65/18/743556518.db2.gz MBTHBIMBBNOAQE-DZKIICNBSA-N 1 1 329.404 0.073 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001059172321 743556520 /nfs/dbraw/zinc/55/65/20/743556520.db2.gz MBTHBIMBBNOAQE-DZKIICNBSA-N 1 1 329.404 0.073 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001059868095 751838325 /nfs/dbraw/zinc/83/83/25/751838325.db2.gz GTRUTKDWIWAJDR-LZWOXQAQSA-N 1 1 338.415 0.813 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001059868095 751838334 /nfs/dbraw/zinc/83/83/34/751838334.db2.gz GTRUTKDWIWAJDR-LZWOXQAQSA-N 1 1 338.415 0.813 20 30 ECEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000982278770 751851137 /nfs/dbraw/zinc/85/11/37/751851137.db2.gz RETYLQNQUGGZQO-ZMYBRWDISA-N 1 1 343.427 0.375 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000976278819 743779297 /nfs/dbraw/zinc/77/92/97/743779297.db2.gz GDKSSQUDNUNMLQ-XDKXFUCDSA-N 1 1 347.459 0.635 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000976335474 743832878 /nfs/dbraw/zinc/83/28/78/743832878.db2.gz JUDUOPIGDRTXHR-RMRHIDDWSA-N 1 1 327.388 0.025 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000976482533 743993366 /nfs/dbraw/zinc/99/33/66/743993366.db2.gz OYQUGIZVTROWQE-RBSFLKMASA-N 1 1 343.431 0.995 20 30 ECEDMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027372398 744022039 /nfs/dbraw/zinc/02/20/39/744022039.db2.gz ROZCFWPMXAIFDH-AWEZNQCLSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027372398 744022043 /nfs/dbraw/zinc/02/20/43/744022043.db2.gz ROZCFWPMXAIFDH-AWEZNQCLSA-N 1 1 329.404 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccn(C)c3)C[C@H]21 ZINC000976737970 744263641 /nfs/dbraw/zinc/26/36/41/744263641.db2.gz AFVWFGOPFARODD-VVLHAWIVSA-N 1 1 340.427 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccn(C)c3)C[C@H]21 ZINC000976737970 744263642 /nfs/dbraw/zinc/26/36/42/744263642.db2.gz AFVWFGOPFARODD-VVLHAWIVSA-N 1 1 340.427 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@H]21 ZINC000976737840 744263865 /nfs/dbraw/zinc/26/38/65/744263865.db2.gz XSRRFDUKUROBRX-OXODIDRGSA-N 1 1 341.455 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@H]21 ZINC000976737840 744263867 /nfs/dbraw/zinc/26/38/67/744263867.db2.gz XSRRFDUKUROBRX-OXODIDRGSA-N 1 1 341.455 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccccc3)C[C@H]21 ZINC000976739074 744265372 /nfs/dbraw/zinc/26/53/72/744265372.db2.gz HVPMRNWTRRNYED-XWTMOSNGSA-N 1 1 337.423 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccccc3)C[C@H]21 ZINC000976739074 744265374 /nfs/dbraw/zinc/26/53/74/744265374.db2.gz HVPMRNWTRRNYED-XWTMOSNGSA-N 1 1 337.423 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC000976742172 744277515 /nfs/dbraw/zinc/27/75/15/744277515.db2.gz SJGWBHSRQQISGT-VVLHAWIVSA-N 1 1 338.411 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC000976742172 744277519 /nfs/dbraw/zinc/27/75/19/744277519.db2.gz SJGWBHSRQQISGT-VVLHAWIVSA-N 1 1 338.411 0.366 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3coc(C)c3)C[C@H]21 ZINC000976742425 744278049 /nfs/dbraw/zinc/27/80/49/744278049.db2.gz SSXJNSHRKLDQSN-VVLHAWIVSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3coc(C)c3)C[C@H]21 ZINC000976742425 744278053 /nfs/dbraw/zinc/27/80/53/744278053.db2.gz SSXJNSHRKLDQSN-VVLHAWIVSA-N 1 1 341.411 0.872 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2ncnn2CC(F)F)C1 ZINC000998748173 744312837 /nfs/dbraw/zinc/31/28/37/744312837.db2.gz VMMQELGRJVQIAM-QWRGUYRKSA-N 1 1 326.351 0.783 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC000998750621 744314347 /nfs/dbraw/zinc/31/43/47/744314347.db2.gz FIUDPVCYKJTIJC-NXEZZACHSA-N 1 1 345.329 0.476 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000998754290 744315889 /nfs/dbraw/zinc/31/58/89/744315889.db2.gz OKJGXHQQVBYMAU-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCc3nc[nH]n3)C2)C1=O ZINC000998860579 744375862 /nfs/dbraw/zinc/37/58/62/744375862.db2.gz WHUXCDHEJCIMJX-ZIAGYGMSSA-N 1 1 346.435 0.105 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000976849277 744395817 /nfs/dbraw/zinc/39/58/17/744395817.db2.gz XBYGAKBOGQXQPS-VIKVFOODSA-N 1 1 338.371 0.278 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nncn1C ZINC000998969618 744439671 /nfs/dbraw/zinc/43/96/71/744439671.db2.gz MYQWJUNJNQKUAQ-AAEUAGOBSA-N 1 1 327.392 0.970 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC000999179954 744553112 /nfs/dbraw/zinc/55/31/12/744553112.db2.gz DOGAHOQHPOGOLY-MJBXVCDLSA-N 1 1 334.424 0.272 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000977032881 744597409 /nfs/dbraw/zinc/59/74/09/744597409.db2.gz YCRXQUBBJGBVRI-XUWVNRHRSA-N 1 1 349.475 0.881 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000977032881 744597413 /nfs/dbraw/zinc/59/74/13/744597413.db2.gz YCRXQUBBJGBVRI-XUWVNRHRSA-N 1 1 349.475 0.881 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nccc(C)n2)C1 ZINC000999390833 744671262 /nfs/dbraw/zinc/67/12/62/744671262.db2.gz ILIMWIPCMDSCIV-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2nccc(C)n2)C1 ZINC000999390833 744671268 /nfs/dbraw/zinc/67/12/68/744671268.db2.gz ILIMWIPCMDSCIV-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCN(C)C(=O)C3)C[C@@]2(C)C1 ZINC000982311217 751937887 /nfs/dbraw/zinc/93/78/87/751937887.db2.gz KLGKXACGYULYJA-KDURUIRLSA-N 1 1 348.491 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccccc2OC)C1 ZINC000999407307 744680922 /nfs/dbraw/zinc/68/09/22/744680922.db2.gz OWJLPSJFLMAVHK-INIZCTEOSA-N 1 1 341.411 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccccc2OC)C1 ZINC000999407307 744680925 /nfs/dbraw/zinc/68/09/25/744680925.db2.gz OWJLPSJFLMAVHK-INIZCTEOSA-N 1 1 341.411 0.733 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001027477724 744705318 /nfs/dbraw/zinc/70/53/18/744705318.db2.gz KXBKWDXROOVJBA-NSHDSACASA-N 1 1 327.406 0.649 20 30 ECEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213329067 751941900 /nfs/dbraw/zinc/94/19/00/751941900.db2.gz PEDCICNOYMEOCH-ZACQAIPSSA-N 1 1 339.480 0.877 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977304337 744848834 /nfs/dbraw/zinc/84/88/34/744848834.db2.gz PKHNETSEGIDLIW-GXTWGEPZSA-N 1 1 348.451 0.429 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977304337 744848837 /nfs/dbraw/zinc/84/88/37/744848837.db2.gz PKHNETSEGIDLIW-GXTWGEPZSA-N 1 1 348.451 0.429 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000977331442 744873979 /nfs/dbraw/zinc/87/39/79/744873979.db2.gz XGJKCQHKZTVBKD-CHWSQXEVSA-N 1 1 329.466 0.423 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977381869 744916721 /nfs/dbraw/zinc/91/67/21/744916721.db2.gz AYDXJVXMKFLXMA-HIFRSBDPSA-N 1 1 331.420 0.388 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977381869 744916725 /nfs/dbraw/zinc/91/67/25/744916725.db2.gz AYDXJVXMKFLXMA-HIFRSBDPSA-N 1 1 331.420 0.388 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977381871 744916928 /nfs/dbraw/zinc/91/69/28/744916928.db2.gz AYDXJVXMKFLXMA-UKRRQHHQSA-N 1 1 331.420 0.388 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977381871 744916930 /nfs/dbraw/zinc/91/69/30/744916930.db2.gz AYDXJVXMKFLXMA-UKRRQHHQSA-N 1 1 331.420 0.388 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccn[nH]2)CC1 ZINC000977401125 744926195 /nfs/dbraw/zinc/92/61/95/744926195.db2.gz KDKDEIMIUIKVAG-OAHLLOKOSA-N 1 1 343.431 0.428 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3n[nH]nc3C)C2)C1=O ZINC001027517882 744937614 /nfs/dbraw/zinc/93/76/14/744937614.db2.gz KPKMFQGRPJIQAV-KBPBESRZSA-N 1 1 346.435 0.436 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000977415975 744947036 /nfs/dbraw/zinc/94/70/36/744947036.db2.gz BYWLISHIUUWIFG-LBPRGKRZSA-N 1 1 336.436 0.720 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000977437127 744965900 /nfs/dbraw/zinc/96/59/00/744965900.db2.gz BXKJUAVPPFBWBL-AWEZNQCLSA-N 1 1 345.447 0.231 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c([nH]c2=O)CCOC3)C(C)(C)C1 ZINC000977455364 745015866 /nfs/dbraw/zinc/01/58/66/745015866.db2.gz YYDQRYYBXBZPDS-OAHLLOKOSA-N 1 1 329.400 0.933 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)COC)CC1 ZINC001105383049 745024288 /nfs/dbraw/zinc/02/42/88/745024288.db2.gz RJCNNTAJBLAGHT-SFHVURJKSA-N 1 1 347.459 0.475 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000977495390 745096584 /nfs/dbraw/zinc/09/65/84/745096584.db2.gz ZBWWYSWGGWUCDX-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999960088 745101523 /nfs/dbraw/zinc/10/15/23/745101523.db2.gz BMGLPOZSFDANOD-HZPDHXFCSA-N 1 1 332.452 0.811 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999960088 745101525 /nfs/dbraw/zinc/10/15/25/745101525.db2.gz BMGLPOZSFDANOD-HZPDHXFCSA-N 1 1 332.452 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(OC)no3)nn2)C1 ZINC000999970203 745117936 /nfs/dbraw/zinc/11/79/36/745117936.db2.gz AHEGXKGPNBUBRY-LBPRGKRZSA-N 1 1 330.348 0.085 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnn3CC)nn2)C1 ZINC000999981284 745132364 /nfs/dbraw/zinc/13/23/64/745132364.db2.gz RFMSSQMQXHIAAG-HNNXBMFYSA-N 1 1 341.419 0.695 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000977517349 745138603 /nfs/dbraw/zinc/13/86/03/745138603.db2.gz KBUXYJHKEPVBMF-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CC1(C)C ZINC000977524333 745142635 /nfs/dbraw/zinc/14/26/35/745142635.db2.gz DIOAHFSUMWSEJW-IAGOWNOFSA-N 1 1 339.439 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CC1(C)C ZINC000977524333 745142640 /nfs/dbraw/zinc/14/26/40/745142640.db2.gz DIOAHFSUMWSEJW-IAGOWNOFSA-N 1 1 339.439 0.926 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC(=O)N(CC)C3)nn2)C1 ZINC000999987425 745142813 /nfs/dbraw/zinc/14/28/13/745142813.db2.gz NZYHAFFDFXSRNX-UKRRQHHQSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C)nn3)nn2)C1 ZINC000999989872 745146817 /nfs/dbraw/zinc/14/68/17/745146817.db2.gz HSGOHPYWQFDQQB-CQSZACIVSA-N 1 1 327.392 0.739 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc4[nH]ccc4c3)nn2)C1 ZINC000999993452 745152136 /nfs/dbraw/zinc/15/21/36/745152136.db2.gz TVXFDEZYAIBFOU-MRXNPFEDSA-N 1 1 349.398 0.916 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(CC)n3)nn2)C1 ZINC000999993989 745152775 /nfs/dbraw/zinc/15/27/75/745152775.db2.gz YNZWKVDCWPOKNF-AWEZNQCLSA-N 1 1 342.407 0.090 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999998327 745158671 /nfs/dbraw/zinc/15/86/71/745158671.db2.gz QWPHVVHFZNCWGI-HZPDHXFCSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 ZINC000999998327 745158675 /nfs/dbraw/zinc/15/86/75/745158675.db2.gz QWPHVVHFZNCWGI-HZPDHXFCSA-N 1 1 332.452 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc4c[nH]ccc-4n3)nn2)C1 ZINC000999998905 745160006 /nfs/dbraw/zinc/16/00/06/745160006.db2.gz VHVPURSSSPRHPH-HNNXBMFYSA-N 1 1 349.398 0.964 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3csnn3)nn2)C1 ZINC001000003401 745168366 /nfs/dbraw/zinc/16/83/66/745168366.db2.gz YBOUVNJSTSWHOD-GFCCVEGCSA-N 1 1 333.421 0.883 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C(=O)NC)n2)C(C)(C)C1 ZINC000977549004 745170637 /nfs/dbraw/zinc/17/06/37/745170637.db2.gz YUKIZLBBUQGUBD-OAHLLOKOSA-N 1 1 328.416 0.905 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC(=O)N3C)nn2)C1 ZINC001000011429 745179747 /nfs/dbraw/zinc/17/97/47/745179747.db2.gz VOPOLINBQXXLOZ-HUUCEWRRSA-N 1 1 346.435 0.338 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC(=O)N3C)nn2)C1 ZINC001000016188 745186055 /nfs/dbraw/zinc/18/60/55/745186055.db2.gz QWTULADQGUTYOH-GJZGRUSLSA-N 1 1 346.435 0.338 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nccc4[nH]ccc43)nn2)C1 ZINC001000024759 745196042 /nfs/dbraw/zinc/19/60/42/745196042.db2.gz MRGQTNAKNTXFJN-AWEZNQCLSA-N 1 1 349.398 0.964 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)n[nH]c3C)nn2)C1 ZINC001000030179 745204285 /nfs/dbraw/zinc/20/42/85/745204285.db2.gz RKUVAKFIQCVGRX-AWEZNQCLSA-N 1 1 327.392 0.428 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CCCO)C2)nn1 ZINC001000031407 745206161 /nfs/dbraw/zinc/20/61/61/745206161.db2.gz NUQOFQNKWIUNRX-OAGGEKHMSA-N 1 1 349.435 0.115 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]nc3C3CC3)nn2)C1 ZINC001000032971 745206873 /nfs/dbraw/zinc/20/68/73/745206873.db2.gz AZJGRDMZERBNTR-CQSZACIVSA-N 1 1 339.403 0.689 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(C)cc3=O)nn2)C1 ZINC001000036689 745214125 /nfs/dbraw/zinc/21/41/25/745214125.db2.gz OYFYUCAFQZBVHA-AWEZNQCLSA-N 1 1 340.387 0.085 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(CC)n(C)n3)nn2)C1 ZINC001000041416 745220354 /nfs/dbraw/zinc/22/03/54/745220354.db2.gz DTNWWEDLWWSVJG-HNNXBMFYSA-N 1 1 341.419 0.384 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncnc3CC)nn2)C1 ZINC001000041389 745220452 /nfs/dbraw/zinc/22/04/52/745220452.db2.gz BPQJGIDFXJMHOV-AWEZNQCLSA-N 1 1 341.419 0.993 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001000046477 745227326 /nfs/dbraw/zinc/22/73/26/745227326.db2.gz UNDWAWNVZCYMIV-AWEZNQCLSA-N 1 1 327.392 0.212 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]cnc3CC)nn2)C1 ZINC001000046818 745228099 /nfs/dbraw/zinc/22/80/99/745228099.db2.gz VXNZHTHXMMTJHY-AWEZNQCLSA-N 1 1 341.419 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC34CCOCC4)nn2)C1 ZINC001000048019 745229035 /nfs/dbraw/zinc/22/90/35/745229035.db2.gz VCTUOBSZDCEGNT-HOTGVXAUSA-N 1 1 343.431 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cccc(F)c2)C1 ZINC001000082903 745250694 /nfs/dbraw/zinc/25/06/94/745250694.db2.gz UZFNVMCLEWBDGR-KRWDZBQOSA-N 1 1 343.402 0.793 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cccc(F)c2)C1 ZINC001000082903 745250698 /nfs/dbraw/zinc/25/06/98/745250698.db2.gz UZFNVMCLEWBDGR-KRWDZBQOSA-N 1 1 343.402 0.793 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)COC[C@@H]3CCCO3)C2)nn1 ZINC001105384611 745254619 /nfs/dbraw/zinc/25/46/19/745254619.db2.gz KYRFCKSKXMQPBH-INIZCTEOSA-N 1 1 349.435 0.523 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)N3CCOCC3)C2)nn1 ZINC001105384864 745257974 /nfs/dbraw/zinc/25/79/74/745257974.db2.gz OYOWUABLYRAROE-AWEZNQCLSA-N 1 1 348.451 0.048 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(C)(C)C1 ZINC000977623709 745311852 /nfs/dbraw/zinc/31/18/52/745311852.db2.gz VKLHPIRCVOURFC-CQSZACIVSA-N 1 1 348.451 0.383 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2(C3CCN(CC#N)CC3)CC2)C1 ZINC001000246763 745383243 /nfs/dbraw/zinc/38/32/43/745383243.db2.gz DNIYCNGDDPZEOQ-MRXNPFEDSA-N 1 1 334.464 0.980 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2(C3CCN(CC#N)CC3)CC2)C1 ZINC001000246763 745383245 /nfs/dbraw/zinc/38/32/45/745383245.db2.gz DNIYCNGDDPZEOQ-MRXNPFEDSA-N 1 1 334.464 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cccnc4)[C@@H]3C2)C1=O ZINC000977709041 745415553 /nfs/dbraw/zinc/41/55/53/745415553.db2.gz JSIDEUIKGZDKOU-WCXIOVBPSA-N 1 1 340.427 0.776 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977732914 745429250 /nfs/dbraw/zinc/42/92/50/745429250.db2.gz LKKHMKHPMHXDOH-GXTWGEPZSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn(C)c4)[C@@H]3C2)C1=O ZINC000977770449 745473611 /nfs/dbraw/zinc/47/36/11/745473611.db2.gz CJVOLLBZWFVODQ-LVQVYYBASA-N 1 1 343.431 0.115 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)nc1 ZINC000977773298 745477399 /nfs/dbraw/zinc/47/73/99/745477399.db2.gz MSNLGQGVMWPRPZ-CVEARBPZSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+][C@H](C)c3nncn3C)C2)nn1 ZINC001000405149 745478855 /nfs/dbraw/zinc/47/88/55/745478855.db2.gz QZOOSKBNWPNCRF-OLZOCXBDSA-N 1 1 344.423 0.548 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ncc(C)cn3)C2)nn1 ZINC001000406980 745479306 /nfs/dbraw/zinc/47/93/06/745479306.db2.gz ZAMYIWQLIHTHIC-CQSZACIVSA-N 1 1 341.419 0.957 20 30 ECEDMO Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)n1 ZINC001083413469 745484352 /nfs/dbraw/zinc/48/43/52/745484352.db2.gz PMHIRZRSOHQMBY-CVEARBPZSA-N 1 1 342.403 0.175 20 30 ECEDMO Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)n1 ZINC001083413469 745484358 /nfs/dbraw/zinc/48/43/58/745484358.db2.gz PMHIRZRSOHQMBY-CVEARBPZSA-N 1 1 342.403 0.175 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)[nH]1 ZINC001083413486 745487787 /nfs/dbraw/zinc/48/77/87/745487787.db2.gz QMJDQNGCNVJYLG-WQVCFCJDSA-N 1 1 332.404 0.478 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC000977776121 745496052 /nfs/dbraw/zinc/49/60/52/745496052.db2.gz RIIFEPSBTLXXTK-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000977801743 745521889 /nfs/dbraw/zinc/52/18/89/745521889.db2.gz KMRQYQTTZNLHSS-BPLDGKMQSA-N 1 1 343.431 0.899 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000977807915 745528303 /nfs/dbraw/zinc/52/83/03/745528303.db2.gz CXHVNZPLNBIPJR-CVEARBPZSA-N 1 1 333.432 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000977807915 745528307 /nfs/dbraw/zinc/52/83/07/745528307.db2.gz CXHVNZPLNBIPJR-CVEARBPZSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnsn3)[C@H]2CC)C1=O ZINC001087511448 745541812 /nfs/dbraw/zinc/54/18/12/745541812.db2.gz QBUKGYUIRVWOBZ-IACUBPJLSA-N 1 1 349.460 0.908 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnsn3)[C@H]2CC)C1=O ZINC001087511448 745541815 /nfs/dbraw/zinc/54/18/15/745541815.db2.gz QBUKGYUIRVWOBZ-IACUBPJLSA-N 1 1 349.460 0.908 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)nc1 ZINC001028269778 752020693 /nfs/dbraw/zinc/02/06/93/752020693.db2.gz VZQLALCQCKIGHL-HIFRSBDPSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)nc1 ZINC001028269778 752020700 /nfs/dbraw/zinc/02/07/00/752020700.db2.gz VZQLALCQCKIGHL-HIFRSBDPSA-N 1 1 340.383 0.062 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@@H+](CCN3CCCC3=O)CC2)c[nH]1 ZINC001000599671 745626272 /nfs/dbraw/zinc/62/62/72/745626272.db2.gz HIPFDSSWTLQOAC-UHFFFAOYSA-N 1 1 341.415 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1coc(C)n1 ZINC000977927215 745681117 /nfs/dbraw/zinc/68/11/17/745681117.db2.gz LGXYXJLANGEFHF-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1coc(C)n1 ZINC000977927215 745681122 /nfs/dbraw/zinc/68/11/22/745681122.db2.gz LGXYXJLANGEFHF-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1=COCCO1 ZINC000977931998 745689197 /nfs/dbraw/zinc/68/91/97/745689197.db2.gz WRIQBROYVHPAKA-CABCVRRESA-N 1 1 347.415 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1=COCCO1 ZINC000977931998 745689199 /nfs/dbraw/zinc/68/91/99/745689199.db2.gz WRIQBROYVHPAKA-CABCVRRESA-N 1 1 347.415 0.032 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H](CC)C(N)=O)CC1 ZINC001000696665 745706567 /nfs/dbraw/zinc/70/65/67/745706567.db2.gz RHVDPZMWUDIRDR-PMPSAXMXSA-N 1 1 335.448 0.980 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H](CC)C(N)=O)CC1 ZINC001000696664 745706607 /nfs/dbraw/zinc/70/66/07/745706607.db2.gz RHVDPZMWUDIRDR-OAGGEKHMSA-N 1 1 335.448 0.980 20 30 ECEDMO C[C@@H](c1nncn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977976499 745735951 /nfs/dbraw/zinc/73/59/51/745735951.db2.gz LZKAAGNRYLGUTC-DOERSZECSA-N 1 1 339.403 0.684 20 30 ECEDMO C[C@@H](c1nncn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977976499 745735958 /nfs/dbraw/zinc/73/59/58/745735958.db2.gz LZKAAGNRYLGUTC-DOERSZECSA-N 1 1 339.403 0.684 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC000977978268 745738676 /nfs/dbraw/zinc/73/86/76/745738676.db2.gz QBSUJOBDAZKHRV-AYDFFVQHSA-N 1 1 341.415 0.415 20 30 ECEDMO C#CCOCCC(=O)N1CCC([C@@H]2[N@@H+](CC(N)=O)CC23CCC3)CC1 ZINC001105393750 745823887 /nfs/dbraw/zinc/82/38/87/745823887.db2.gz GZWSJVMLAYKSMA-SFHVURJKSA-N 1 1 347.459 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c(C)noc2C)C1 ZINC001000869323 745844933 /nfs/dbraw/zinc/84/49/33/745844933.db2.gz XCIRFFZQELZFMT-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c(C)noc2C)C1 ZINC001000869323 745844938 /nfs/dbraw/zinc/84/49/38/745844938.db2.gz XCIRFFZQELZFMT-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001000903087 745883143 /nfs/dbraw/zinc/88/31/43/745883143.db2.gz IJPYRIFTQFVOIX-UHFFFAOYSA-N 1 1 337.401 0.312 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2sccc2-n2cnnn2)CC1 ZINC001000904915 745884533 /nfs/dbraw/zinc/88/45/33/745884533.db2.gz XOVXKAQSOAHLQG-UHFFFAOYSA-N 1 1 328.401 0.719 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2CCC[N@H+]2C)nc1 ZINC000978102077 745898878 /nfs/dbraw/zinc/89/88/78/745898878.db2.gz BSDSTUGWGYFBMG-WBVHZDCISA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2ccccc2OCC(N)=O)CC1 ZINC001000926125 745905598 /nfs/dbraw/zinc/90/55/98/745905598.db2.gz YIMNAYSCUURXCY-UHFFFAOYSA-N 1 1 327.384 0.546 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)c1 ZINC000978116825 745926655 /nfs/dbraw/zinc/92/66/55/745926655.db2.gz UCFRUHHGBZHJFL-JONQDZQNSA-N 1 1 340.383 0.461 20 30 ECEDMO COCC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001105394503 745941128 /nfs/dbraw/zinc/94/11/28/745941128.db2.gz YWKFVRVRRSXHQZ-HNNXBMFYSA-N 1 1 333.432 0.215 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nc(C)nn3C2)CC1 ZINC001000993221 745958941 /nfs/dbraw/zinc/95/89/41/745958941.db2.gz BNPZKILQERUORG-INIZCTEOSA-N 1 1 327.432 0.921 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001000994120 745959678 /nfs/dbraw/zinc/95/96/78/745959678.db2.gz HRTKAXDJORSSRE-UHFFFAOYSA-N 1 1 337.387 0.443 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001000996268 745961301 /nfs/dbraw/zinc/96/13/01/745961301.db2.gz WHZVUWDQJDWSMB-UHFFFAOYSA-N 1 1 339.403 0.995 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001028272612 752049411 /nfs/dbraw/zinc/04/94/11/752049411.db2.gz GSZUEEKOUVPRFX-CVEARBPZSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001028272612 752049417 /nfs/dbraw/zinc/04/94/17/752049417.db2.gz GSZUEEKOUVPRFX-CVEARBPZSA-N 1 1 326.400 0.917 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000978147370 745979998 /nfs/dbraw/zinc/97/99/98/745979998.db2.gz MRSYNAAXXFDKCZ-ZACQAIPSSA-N 1 1 346.475 0.238 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001098518077 752053270 /nfs/dbraw/zinc/05/32/70/752053270.db2.gz FWXZLYGSFCMDEZ-APWZRJJASA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC001059344305 746056080 /nfs/dbraw/zinc/05/60/80/746056080.db2.gz RVHFVLPLGRDBGE-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC001059344305 746056088 /nfs/dbraw/zinc/05/60/88/746056088.db2.gz RVHFVLPLGRDBGE-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)c1 ZINC001007037913 752057324 /nfs/dbraw/zinc/05/73/24/752057324.db2.gz TXJAYSUAASVPFV-CYBMUJFWSA-N 1 1 343.387 0.230 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CCN3C(=O)CCC3=O)C2)c1 ZINC001007037913 752057331 /nfs/dbraw/zinc/05/73/31/752057331.db2.gz TXJAYSUAASVPFV-CYBMUJFWSA-N 1 1 343.387 0.230 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccncn1 ZINC000978233566 746066960 /nfs/dbraw/zinc/06/69/60/746066960.db2.gz BPXZXQXUTPWZEP-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccncn1 ZINC000978233566 746066964 /nfs/dbraw/zinc/06/69/64/746066964.db2.gz BPXZXQXUTPWZEP-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087571492 746072323 /nfs/dbraw/zinc/07/23/23/746072323.db2.gz WOLFDBJCSLUUPI-JKSUJKDBSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC000978262183 746107556 /nfs/dbraw/zinc/10/75/56/746107556.db2.gz ANKVZZMPCVDMMS-TUVASFSCSA-N 1 1 330.432 0.716 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001001162936 746126948 /nfs/dbraw/zinc/12/69/48/746126948.db2.gz KRXOFTXMTGILFG-KFWWJZLASA-N 1 1 347.415 0.131 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001001162936 746126949 /nfs/dbraw/zinc/12/69/49/746126949.db2.gz KRXOFTXMTGILFG-KFWWJZLASA-N 1 1 347.415 0.131 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@H]1CC ZINC001087683723 746185610 /nfs/dbraw/zinc/18/56/10/746185610.db2.gz PADWMFCBLQAPIQ-LSDHHAIUSA-N 1 1 330.436 0.935 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+](C[C@@H]3CCOC3)CC2)nn1 ZINC001001241449 746200176 /nfs/dbraw/zinc/20/01/76/746200176.db2.gz MGARZZXJBRWULT-HNNXBMFYSA-N 1 1 331.420 0.863 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnn(C)n3)C2)C1=O ZINC001027613467 746235346 /nfs/dbraw/zinc/23/53/46/746235346.db2.gz IFTSVJHDZXVZNK-HIFRSBDPSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cncn3C)[C@@H]2CC)nn1 ZINC001087754256 746287333 /nfs/dbraw/zinc/28/73/33/746287333.db2.gz WJPBAFKKIGXSMJ-GOEBONIOSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cncn3C)[C@@H]2CC)nn1 ZINC001087754256 746287336 /nfs/dbraw/zinc/28/73/36/746287336.db2.gz WJPBAFKKIGXSMJ-GOEBONIOSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC001001352699 746300490 /nfs/dbraw/zinc/30/04/90/746300490.db2.gz ZXEJYZJXLGFFRC-OAHLLOKOSA-N 1 1 329.404 0.625 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1=CC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001001360423 746307142 /nfs/dbraw/zinc/30/71/42/746307142.db2.gz QSVGHEVOVCGHKA-ZDUSSCGKSA-N 1 1 344.415 0.882 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1=CC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001001360423 746307147 /nfs/dbraw/zinc/30/71/47/746307147.db2.gz QSVGHEVOVCGHKA-ZDUSSCGKSA-N 1 1 344.415 0.882 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ncc[nH]3)[C@H]2CC)C1=O ZINC001087774815 746313959 /nfs/dbraw/zinc/31/39/59/746313959.db2.gz LUGWCJZNKBXNEY-ZNMIVQPWSA-N 1 1 345.447 0.708 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1CC ZINC001087794516 746359552 /nfs/dbraw/zinc/35/95/52/746359552.db2.gz PTZXZUFHICISFI-NWDGAFQWSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1CC ZINC001087794516 746359557 /nfs/dbraw/zinc/35/95/57/746359557.db2.gz PTZXZUFHICISFI-NWDGAFQWSA-N 1 1 342.827 0.602 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3coc4c3C(=O)NCCC4)[C@@H]2C1 ZINC000978495793 746371777 /nfs/dbraw/zinc/37/17/77/746371777.db2.gz FSSLONWINFLXHW-ZSOGYDGISA-N 1 1 341.411 0.887 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)[nH]1 ZINC001007099702 752085078 /nfs/dbraw/zinc/08/50/78/752085078.db2.gz LJTPTNYVWYJTEC-CYBMUJFWSA-N 1 1 343.387 0.230 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3C(=O)CCC3=O)C2)[nH]1 ZINC001007099702 752085083 /nfs/dbraw/zinc/08/50/83/752085083.db2.gz LJTPTNYVWYJTEC-CYBMUJFWSA-N 1 1 343.387 0.230 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(F)c[nH]4)[C@@H]3C2)C1=O ZINC000978517648 746392546 /nfs/dbraw/zinc/39/25/46/746392546.db2.gz OURMVIQGOQRGAF-AYDFFVQHSA-N 1 1 346.406 0.848 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nncn4CC3)[C@@H]2C1 ZINC000978532860 746396063 /nfs/dbraw/zinc/39/60/63/746396063.db2.gz TUZBZCJCXQIZQO-FPCVCCKLSA-N 1 1 327.432 0.548 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001481749 746421017 /nfs/dbraw/zinc/42/10/17/746421017.db2.gz DJVXPWLBQZPZRV-MRXNPFEDSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001059887724 752091390 /nfs/dbraw/zinc/09/13/90/752091390.db2.gz WWSBEVMCEXGTGH-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1CC ZINC001087833213 746445441 /nfs/dbraw/zinc/44/54/41/746445441.db2.gz QFHSZXSWCCHSOU-MELADBBJSA-N 1 1 329.466 0.613 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001001553498 746487834 /nfs/dbraw/zinc/48/78/34/746487834.db2.gz UUKHHAVISCJDNY-AWEZNQCLSA-N 1 1 342.399 0.073 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ncccc2O)C1 ZINC001001553498 746487837 /nfs/dbraw/zinc/48/78/37/746487837.db2.gz UUKHHAVISCJDNY-AWEZNQCLSA-N 1 1 342.399 0.073 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4[nH]c(=O)[nH]c4n3)[C@@H]2C1 ZINC000978638212 746529952 /nfs/dbraw/zinc/52/99/52/746529952.db2.gz HAYKWTXGGYOGNY-CNDDSTCGSA-N 1 1 325.372 0.594 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001027648927 746540798 /nfs/dbraw/zinc/54/07/98/746540798.db2.gz YUBBBVZDBGEQIQ-LBPRGKRZSA-N 1 1 342.827 0.556 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001027648927 746540801 /nfs/dbraw/zinc/54/08/01/746540801.db2.gz YUBBBVZDBGEQIQ-LBPRGKRZSA-N 1 1 342.827 0.556 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc[nH]c4)[C@@H]3C2)C1=O ZINC001075824699 746545431 /nfs/dbraw/zinc/54/54/31/746545431.db2.gz KEYFETWBHLNDCG-HRCADAONSA-N 1 1 328.416 0.948 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)c1 ZINC000978672342 746567573 /nfs/dbraw/zinc/56/75/73/746567573.db2.gz KMTASJVVUAIPRF-LVQVYYBASA-N 1 1 339.399 0.034 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3ncn(C)c3=O)C[C@@]2(C)C1 ZINC000982400282 752105966 /nfs/dbraw/zinc/10/59/66/752105966.db2.gz HAVVGXUVJOSYCL-CALCHBBNSA-N 1 1 333.436 0.328 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)cn1 ZINC001027656626 746599911 /nfs/dbraw/zinc/59/99/11/746599911.db2.gz VJBLZJUTSKZKFO-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059399979 746650256 /nfs/dbraw/zinc/65/02/56/746650256.db2.gz YWUQHZRXHSMAEG-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059399979 746650258 /nfs/dbraw/zinc/65/02/58/746650258.db2.gz YWUQHZRXHSMAEG-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO N#Cc1cncc(N(CCNC(=O)CC[NH+]2CCOCC2)C2CC2)n1 ZINC001101364152 746658425 /nfs/dbraw/zinc/65/84/25/746658425.db2.gz BXQXFBKSRHSHBE-UHFFFAOYSA-N 1 1 344.419 0.156 20 30 ECEDMO CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CSCC#N)[C@H](OC)C2)C1 ZINC001211886736 746742370 /nfs/dbraw/zinc/74/23/70/746742370.db2.gz WITSTLWQOORWBL-NEXFUWMNSA-N 1 1 341.477 0.874 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnnn2C)CC1 ZINC001001843232 746764324 /nfs/dbraw/zinc/76/43/24/746764324.db2.gz CEAKGYCKJZYYFB-CVEARBPZSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000978840405 746766970 /nfs/dbraw/zinc/76/69/70/746766970.db2.gz HWDQHZUENVISFY-UUAJXVIYSA-N 1 1 349.475 0.930 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC000978859361 746790043 /nfs/dbraw/zinc/79/00/43/746790043.db2.gz UCZINLVKDVOVJR-RVMXOQNASA-N 1 1 347.868 0.067 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1 ZINC000978851342 746798870 /nfs/dbraw/zinc/79/88/70/746798870.db2.gz DLVPZNABNJGOLO-ZSOGYDGISA-N 1 1 341.415 0.815 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)[nH]1 ZINC001007150983 752130576 /nfs/dbraw/zinc/13/05/76/752130576.db2.gz IOKFDNDQCJBUBH-UKRRQHHQSA-N 1 1 343.431 0.997 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4n[nH]nc4C3)[C@@H]2C1 ZINC000978940041 746919475 /nfs/dbraw/zinc/91/94/75/746919475.db2.gz JSVJJQPPCCXYDG-LPWJVIDDSA-N 1 1 335.839 0.956 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)n1 ZINC001059436027 746923184 /nfs/dbraw/zinc/92/31/84/746923184.db2.gz DQDHKDPNFBERTD-AJNGGQMLSA-N 1 1 340.431 0.846 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3cnnn3C)CC2)nc1 ZINC001002054324 746932661 /nfs/dbraw/zinc/93/26/61/746932661.db2.gz ABWOHKWMWFWXMG-UHFFFAOYSA-N 1 1 338.415 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C)no2)C1 ZINC000978951761 746943636 /nfs/dbraw/zinc/94/36/36/746943636.db2.gz BMIPWZDYVMQHOI-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C)no2)C1 ZINC000978951761 746943643 /nfs/dbraw/zinc/94/36/43/746943643.db2.gz BMIPWZDYVMQHOI-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001087993055 746952714 /nfs/dbraw/zinc/95/27/14/746952714.db2.gz XTFHJEQFGCJXPU-PMPSAXMXSA-N 1 1 342.443 0.957 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4n3CCOC4)C[C@@H]2C1 ZINC001088001058 746995471 /nfs/dbraw/zinc/99/54/71/746995471.db2.gz RLOOTGRTCKCABQ-CABCVRRESA-N 1 1 328.416 0.831 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]32)nc1 ZINC000978985855 747021664 /nfs/dbraw/zinc/02/16/64/747021664.db2.gz LIANNWGTTWAZRJ-OSYLJGHBSA-N 1 1 335.411 0.904 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)c1 ZINC000979024654 747054166 /nfs/dbraw/zinc/05/41/66/747054166.db2.gz ZSLLGCAGJXMXJA-NXOAAHMSSA-N 1 1 338.411 0.631 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CN=NC3=O)C2)cc1 ZINC001007163755 752146023 /nfs/dbraw/zinc/14/60/23/752146023.db2.gz YXUARFKGTYNJNW-OAHLLOKOSA-N 1 1 340.387 0.636 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCN(C(C)=O)C3)[C@@H]2C1 ZINC000979042850 747073616 /nfs/dbraw/zinc/07/36/16/747073616.db2.gz HJFQOBFDDYGKQY-ZQDZILKHSA-N 1 1 325.840 0.901 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@@H]2C1 ZINC001088025895 747099387 /nfs/dbraw/zinc/09/93/87/747099387.db2.gz HNZSWQZNJWXQRL-KGLIPLIRSA-N 1 1 340.855 0.935 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@@H]2C1 ZINC001088025895 747099394 /nfs/dbraw/zinc/09/93/94/747099394.db2.gz HNZSWQZNJWXQRL-KGLIPLIRSA-N 1 1 340.855 0.935 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@@H]2C1 ZINC001088028574 747106253 /nfs/dbraw/zinc/10/62/53/747106253.db2.gz SSJPIEGXZVPGFV-OCCSQVGLSA-N 1 1 342.399 0.992 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC001002236502 747113264 /nfs/dbraw/zinc/11/32/64/747113264.db2.gz GASRAIPHNSFYPG-CZUORRHYSA-N 1 1 340.427 0.591 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4c(c3)nnn4C)C[C@@H]2C1 ZINC001088045527 747139780 /nfs/dbraw/zinc/13/97/80/747139780.db2.gz YHEQHJWJUJMYCH-HIFRSBDPSA-N 1 1 338.415 0.781 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CCCC)C[C@@H]2C1 ZINC001088052788 747159741 /nfs/dbraw/zinc/15/97/41/747159741.db2.gz IEASYPGBKAUHDB-SQNIBIBYSA-N 1 1 333.476 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)C)CCO3)C[C@@H]2C1 ZINC001088080760 747270032 /nfs/dbraw/zinc/27/00/32/747270032.db2.gz MAFCYQCYBFUFEW-FGTMMUONSA-N 1 1 333.476 0.899 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)C)CCO3)C[C@@H]2C1 ZINC001088080761 747270408 /nfs/dbraw/zinc/27/04/08/747270408.db2.gz MAFCYQCYBFUFEW-SQNIBIBYSA-N 1 1 333.476 0.899 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001002395875 747291578 /nfs/dbraw/zinc/29/15/78/747291578.db2.gz LICWRYQEPDTQLB-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)C3=CCOCC3)C2)C1=O ZINC001007189238 752174925 /nfs/dbraw/zinc/17/49/25/752174925.db2.gz LFYQDPBTHBYMKO-HOTGVXAUSA-N 1 1 333.432 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)C3=CCOCC3)C2)C1=O ZINC001007189238 752174930 /nfs/dbraw/zinc/17/49/30/752174930.db2.gz LFYQDPBTHBYMKO-HOTGVXAUSA-N 1 1 333.432 0.701 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC001002488264 747423435 /nfs/dbraw/zinc/42/34/35/747423435.db2.gz LUZLTLZPHBMRGS-IAGOWNOFSA-N 1 1 347.459 0.570 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC001002488264 747423438 /nfs/dbraw/zinc/42/34/38/747423438.db2.gz LUZLTLZPHBMRGS-IAGOWNOFSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCOc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)cc1 ZINC001088133117 747460204 /nfs/dbraw/zinc/46/02/04/747460204.db2.gz RXENEWOMAUGPSV-CVEARBPZSA-N 1 1 341.411 0.578 20 30 ECEDMO C[C@H]([NH2+]Cc1nncn1C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979282240 747528670 /nfs/dbraw/zinc/52/86/70/747528670.db2.gz XCPUUOFBUXXQLF-SMDDNHRTSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@H]([NH2+]Cc1cn(C)nn1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979283760 747531343 /nfs/dbraw/zinc/53/13/43/747531343.db2.gz ABFVWXMQFHQUMO-XHDPSFHLSA-N 1 1 343.391 0.034 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cncnc2C)C1=O ZINC001027769758 747571470 /nfs/dbraw/zinc/57/14/70/747571470.db2.gz XTQXPLZPAOUEKQ-ZBFHGGJFSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cncnc2C)C1=O ZINC001027769758 747571475 /nfs/dbraw/zinc/57/14/75/747571475.db2.gz XTQXPLZPAOUEKQ-ZBFHGGJFSA-N 1 1 343.431 0.766 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]2C1 ZINC001088169292 747583794 /nfs/dbraw/zinc/58/37/94/747583794.db2.gz PXXCENGNZGCMLS-NEPJUHHUSA-N 1 1 348.403 0.866 20 30 ECEDMO CCn1nncc1C[NH+]1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001002625939 747588480 /nfs/dbraw/zinc/58/84/80/747588480.db2.gz JMZIMTKIIBXGJQ-UHFFFAOYSA-N 1 1 327.392 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1cc[nH]n1 ZINC001002636970 747600272 /nfs/dbraw/zinc/60/02/72/747600272.db2.gz DRPZRWNTAZPWPN-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1cc[nH]n1 ZINC001002636970 747600277 /nfs/dbraw/zinc/60/02/77/747600277.db2.gz DRPZRWNTAZPWPN-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccn[nH]1 ZINC001002636970 747600283 /nfs/dbraw/zinc/60/02/83/747600283.db2.gz DRPZRWNTAZPWPN-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccn[nH]1 ZINC001002636970 747600287 /nfs/dbraw/zinc/60/02/87/747600287.db2.gz DRPZRWNTAZPWPN-HOCLYGCPSA-N 1 1 343.431 0.570 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029566671 747601439 /nfs/dbraw/zinc/60/14/39/747601439.db2.gz HVBYFIJOIMNLLR-KSZLIROESA-N 1 1 337.423 0.774 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ncoc2C)C1=O ZINC001027780512 747648662 /nfs/dbraw/zinc/64/86/62/747648662.db2.gz QTXGEVGEQQOHCG-ZIAGYGMSSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ncoc2C)C1=O ZINC001027780512 747648666 /nfs/dbraw/zinc/64/86/66/747648666.db2.gz QTXGEVGEQQOHCG-ZIAGYGMSSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 ZINC001088194079 747707954 /nfs/dbraw/zinc/70/79/54/747707954.db2.gz KWSQJOYIJWKBML-KGLIPLIRSA-N 1 1 334.420 0.237 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001088193411 747713498 /nfs/dbraw/zinc/71/34/98/747713498.db2.gz BBZBGQIJZPABAG-KGLIPLIRSA-N 1 1 334.420 0.285 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000985339008 747739977 /nfs/dbraw/zinc/73/99/77/747739977.db2.gz OXYNESNBHNBQAK-KBPBESRZSA-N 1 1 341.477 0.894 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000985339481 747747561 /nfs/dbraw/zinc/74/75/61/747747561.db2.gz VCOLYDDKERUNET-KGLIPLIRSA-N 1 1 341.477 0.894 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088207220 747748785 /nfs/dbraw/zinc/74/87/85/747748785.db2.gz BXBATHHKGDWSMT-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)c1 ZINC001027791997 747768861 /nfs/dbraw/zinc/76/88/61/747768861.db2.gz GYEQJIKCMOHNSE-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)cc1 ZINC001027792447 747774133 /nfs/dbraw/zinc/77/41/33/747774133.db2.gz QDQUBQWJJNIYJU-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001088233580 747798699 /nfs/dbraw/zinc/79/86/99/747798699.db2.gz USUUYDZTIMMRAK-OAHLLOKOSA-N 1 1 331.420 0.391 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1 ZINC001088235172 747815427 /nfs/dbraw/zinc/81/54/27/747815427.db2.gz LVGNJARDUURLOJ-OAHLLOKOSA-N 1 1 346.431 0.702 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c(C)noc2C)C1 ZINC001149130537 752214128 /nfs/dbraw/zinc/21/41/28/752214128.db2.gz LVSKZGSGPBBSHW-HNNXBMFYSA-N 1 1 335.404 0.762 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)noc2C)C1 ZINC001149130537 752214134 /nfs/dbraw/zinc/21/41/34/752214134.db2.gz LVSKZGSGPBBSHW-HNNXBMFYSA-N 1 1 335.404 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nc(C)oc2C)C1 ZINC001002826561 747840177 /nfs/dbraw/zinc/84/01/77/747840177.db2.gz NCPWANDPRLBEHE-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nc(C)oc2C)C1 ZINC001002826561 747840184 /nfs/dbraw/zinc/84/01/84/747840184.db2.gz NCPWANDPRLBEHE-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nccn2CC)C1 ZINC001002828113 747842418 /nfs/dbraw/zinc/84/24/18/747842418.db2.gz ANOASRQOBNKAEA-HNNXBMFYSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nccn2CC)C1 ZINC001002828113 747842424 /nfs/dbraw/zinc/84/24/24/747842424.db2.gz ANOASRQOBNKAEA-HNNXBMFYSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CC(OCC)C2)C1 ZINC001002827993 747842699 /nfs/dbraw/zinc/84/26/99/747842699.db2.gz ZISBLRUVCDTOJM-JCYILVPMSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CC(OCC)C2)C1 ZINC001002827993 747842708 /nfs/dbraw/zinc/84/27/08/747842708.db2.gz ZISBLRUVCDTOJM-JCYILVPMSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C)n2C)C1 ZINC001002828816 747843431 /nfs/dbraw/zinc/84/34/31/747843431.db2.gz HODLATWMHBIZAP-INIZCTEOSA-N 1 1 342.443 0.619 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C)n2C)C1 ZINC001002828816 747843438 /nfs/dbraw/zinc/84/34/38/747843438.db2.gz HODLATWMHBIZAP-INIZCTEOSA-N 1 1 342.443 0.619 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)nn2C)C1 ZINC001002829347 747845158 /nfs/dbraw/zinc/84/51/58/747845158.db2.gz KKFBYFSIOCVOEZ-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)nn2C)C1 ZINC001002829347 747845167 /nfs/dbraw/zinc/84/51/67/747845167.db2.gz KKFBYFSIOCVOEZ-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)n[nH]2)C1 ZINC001002829825 747846985 /nfs/dbraw/zinc/84/69/85/747846985.db2.gz OSYARPBSRWURDL-HNNXBMFYSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)n[nH]2)C1 ZINC001002829825 747846993 /nfs/dbraw/zinc/84/69/93/747846993.db2.gz OSYARPBSRWURDL-HNNXBMFYSA-N 1 1 329.404 0.004 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC1)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985383922 747855009 /nfs/dbraw/zinc/85/50/09/747855009.db2.gz CUIWRSGZDUBOSY-UHFFFAOYSA-N 1 1 329.404 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2[nH]c(C)nc2C)C1 ZINC001002837199 747860603 /nfs/dbraw/zinc/86/06/03/747860603.db2.gz ZJDWNUIBRYJSMY-HNNXBMFYSA-N 1 1 343.431 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2[nH]c(C)nc2C)C1 ZINC001002837199 747860615 /nfs/dbraw/zinc/86/06/15/747860615.db2.gz ZJDWNUIBRYJSMY-HNNXBMFYSA-N 1 1 343.431 0.312 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nccnc2N)C1=O ZINC001027800682 747867063 /nfs/dbraw/zinc/86/70/63/747867063.db2.gz YHZKTJABFFOKQX-CHWSQXEVSA-N 1 1 344.419 0.040 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nccnc2N)C1=O ZINC001027800682 747867073 /nfs/dbraw/zinc/86/70/73/747867073.db2.gz YHZKTJABFFOKQX-CHWSQXEVSA-N 1 1 344.419 0.040 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]CC3CC3)C2)CC1 ZINC000979457771 747879117 /nfs/dbraw/zinc/87/91/17/747879117.db2.gz MUYKXZNTWGRPBE-MAUKXSAKSA-N 1 1 333.476 0.947 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001088240105 747942838 /nfs/dbraw/zinc/94/28/38/747942838.db2.gz PFHIOIPYDPDSPB-INIZCTEOSA-N 1 1 331.420 0.241 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3nonc3C)CC2)C1 ZINC001088245175 747982411 /nfs/dbraw/zinc/98/24/11/747982411.db2.gz NPRKOLWEPYHYJQ-HNNXBMFYSA-N 1 1 332.404 0.954 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CCN2C(=O)CCC2=O)c1 ZINC001027813757 748010819 /nfs/dbraw/zinc/01/08/19/748010819.db2.gz AIEGUISUGNLGTL-CYBMUJFWSA-N 1 1 343.387 0.230 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2noc(CC)n2)CC1 ZINC001003055382 748123559 /nfs/dbraw/zinc/12/35/59/748123559.db2.gz GTEVOBPYTBJAAG-HNNXBMFYSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2noc(CC)n2)CC1 ZINC001003055382 748123564 /nfs/dbraw/zinc/12/35/64/748123564.db2.gz GTEVOBPYTBJAAG-HNNXBMFYSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cc(C)n(C)n2)CC1 ZINC001003056925 748125354 /nfs/dbraw/zinc/12/53/54/748125354.db2.gz VYZSTTLHLOMBNR-SFHVURJKSA-N 1 1 343.475 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cc(C)n(C)n2)CC1 ZINC001003056925 748125359 /nfs/dbraw/zinc/12/53/59/748125359.db2.gz VYZSTTLHLOMBNR-SFHVURJKSA-N 1 1 343.475 0.907 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001029725095 748160754 /nfs/dbraw/zinc/16/07/54/748160754.db2.gz SYPVSQHDWZCDHR-BBRMVZONSA-N 1 1 342.399 0.947 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001075856027 748176454 /nfs/dbraw/zinc/17/64/54/748176454.db2.gz ZPDBTKUAGKXMPU-GVDBMIGSSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC000985476296 748217984 /nfs/dbraw/zinc/21/79/84/748217984.db2.gz QLSNRTWBTBFVHH-CVEARBPZSA-N 1 1 334.464 0.271 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccn4nnnc34)C[C@H]2C1 ZINC000979745327 748332015 /nfs/dbraw/zinc/33/20/15/748332015.db2.gz LUFANNCWORTEPH-SOUVJXGZSA-N 1 1 338.415 0.978 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)c3cncn3C)C2)C1=O ZINC001029778493 748347466 /nfs/dbraw/zinc/34/74/66/748347466.db2.gz JRDUVLWNJZBELT-CABCVRRESA-N 1 1 345.447 0.601 20 30 ECEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001029820385 748595092 /nfs/dbraw/zinc/59/50/92/748595092.db2.gz CQQMLLBREFEIRC-CQSZACIVSA-N 1 1 330.388 0.355 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)c1 ZINC001029834308 748665043 /nfs/dbraw/zinc/66/50/43/748665043.db2.gz CKMMQCAODYLRPA-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCC(=O)NC3=O)C2)C1 ZINC001029835318 748668333 /nfs/dbraw/zinc/66/83/33/748668333.db2.gz GAIONUSSYKBBFS-KGLIPLIRSA-N 1 1 333.432 0.928 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001029839867 748691684 /nfs/dbraw/zinc/69/16/84/748691684.db2.gz LAKJIHKDUYQBBG-ZACQAIPSSA-N 1 1 340.427 0.960 20 30 ECEDMO C#CCNCc1cn([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001098728933 748731751 /nfs/dbraw/zinc/73/17/51/748731751.db2.gz WTEBBYMLHXBTFY-GDBMZVCRSA-N 1 1 330.436 0.259 20 30 ECEDMO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c1 ZINC001003642827 748754905 /nfs/dbraw/zinc/75/49/05/748754905.db2.gz QQLTVQOKTVQIQL-CABCVRRESA-N 1 1 344.390 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cn(C)cn2)C1 ZINC000979966763 748758272 /nfs/dbraw/zinc/75/82/72/748758272.db2.gz FKSMDLUNMQPNIF-DZKIICNBSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cn(C)cn2)C1 ZINC000979966763 748758276 /nfs/dbraw/zinc/75/82/76/748758276.db2.gz FKSMDLUNMQPNIF-DZKIICNBSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccccn2)C1 ZINC000979968566 748762158 /nfs/dbraw/zinc/76/21/58/748762158.db2.gz SSNWXCCHUZAPNU-ZOBUZTSGSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccccn2)C1 ZINC000979968566 748762160 /nfs/dbraw/zinc/76/21/60/748762160.db2.gz SSNWXCCHUZAPNU-ZOBUZTSGSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000979969147 748762733 /nfs/dbraw/zinc/76/27/33/748762733.db2.gz XHSNAHRGQALJAE-QAETUUGQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC000979969147 748762740 /nfs/dbraw/zinc/76/27/40/748762740.db2.gz XHSNAHRGQALJAE-QAETUUGQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(F)F ZINC001003675544 748784445 /nfs/dbraw/zinc/78/44/45/748784445.db2.gz WBHSHCCOYAUVEJ-MQYQWHSLSA-N 1 1 339.386 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(F)F ZINC001003675544 748784446 /nfs/dbraw/zinc/78/44/46/748784446.db2.gz WBHSHCCOYAUVEJ-MQYQWHSLSA-N 1 1 339.386 0.987 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccnn3CCOC)C[C@@H]2C1 ZINC000980006227 748815717 /nfs/dbraw/zinc/81/57/17/748815717.db2.gz ZUKJBANMXAIPAB-XHSDSOJGSA-N 1 1 330.432 0.993 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC[NH+](Cc3cc(C)ncn3)CC2)nn1 ZINC001003758919 748866270 /nfs/dbraw/zinc/86/62/70/748866270.db2.gz GFXGYPMBYYYAKN-UHFFFAOYSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CC[NH+](Cc3ccnn3C)CC2)nn1 ZINC001003766429 748874329 /nfs/dbraw/zinc/87/43/29/748874329.db2.gz LLDCIDFSIAIYHV-UHFFFAOYSA-N 1 1 343.435 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2csc(C)n2)C1 ZINC001003779524 748885421 /nfs/dbraw/zinc/88/54/21/748885421.db2.gz BBEVXGKTIGNLOA-HNNXBMFYSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2csc(C)n2)C1 ZINC001003779524 748885426 /nfs/dbraw/zinc/88/54/26/748885426.db2.gz BBEVXGKTIGNLOA-HNNXBMFYSA-N 1 1 346.456 0.737 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3cnnn3C)CC2)nn1 ZINC000985697056 748889792 /nfs/dbraw/zinc/88/97/92/748889792.db2.gz ZZUJXNLUKHKDOH-UHFFFAOYSA-N 1 1 344.423 0.329 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001003786793 748893775 /nfs/dbraw/zinc/89/37/75/748893775.db2.gz BRJJJPUUCMKZHH-RDJZCZTQSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3ncccn3)CC2)C1=O ZINC000985709224 748910615 /nfs/dbraw/zinc/91/06/15/748910615.db2.gz IIVNHKZSKQYCOV-HNNXBMFYSA-N 1 1 343.431 0.800 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnnn2CC)C1=O ZINC001027870774 748928324 /nfs/dbraw/zinc/92/83/24/748928324.db2.gz CCRWVUMDJYIYBL-UONOGXRCSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnnn2CC)C1=O ZINC001027870774 748928325 /nfs/dbraw/zinc/92/83/25/748928325.db2.gz CCRWVUMDJYIYBL-UONOGXRCSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)C[C@H]3CCOC3)C2)nn1 ZINC001029859486 748950043 /nfs/dbraw/zinc/95/00/43/748950043.db2.gz DEWBFLCOSHTMNV-HUUCEWRRSA-N 1 1 333.436 0.895 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(OC)o2)C1 ZINC001003846358 748967349 /nfs/dbraw/zinc/96/73/49/748967349.db2.gz YWHBGQGKPSUJMY-AWEZNQCLSA-N 1 1 345.399 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(OC)o2)C1 ZINC001003846358 748967358 /nfs/dbraw/zinc/96/73/58/748967358.db2.gz YWHBGQGKPSUJMY-AWEZNQCLSA-N 1 1 345.399 0.574 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2nn(C)cc2C)C1=O ZINC001027878758 748972100 /nfs/dbraw/zinc/97/21/00/748972100.db2.gz HYNYSBWYCKRDCU-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nn(C)cc2C)C1=O ZINC001027878758 748972104 /nfs/dbraw/zinc/97/21/04/748972104.db2.gz HYNYSBWYCKRDCU-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)[C@@H]3CCCNC3=O)CC2)nc1 ZINC000985760612 749031269 /nfs/dbraw/zinc/03/12/69/749031269.db2.gz WCGDBYZDLGDMRS-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000985774618 749057854 /nfs/dbraw/zinc/05/78/54/749057854.db2.gz SUFWACMNJYUIED-OAHLLOKOSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001059645424 749089375 /nfs/dbraw/zinc/08/93/75/749089375.db2.gz BLLRSODRCFOAQR-IRXDYDNUSA-N 1 1 349.475 0.723 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)OC)C[C@@H]2C1 ZINC000985790017 749105309 /nfs/dbraw/zinc/10/53/09/749105309.db2.gz MZTCYPLZBWKUHV-YVSFHVDLSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)OC)C[C@@H]2C1 ZINC000985790017 749105316 /nfs/dbraw/zinc/10/53/16/749105316.db2.gz MZTCYPLZBWKUHV-YVSFHVDLSA-N 1 1 347.459 0.426 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC000980193311 749126804 /nfs/dbraw/zinc/12/68/04/749126804.db2.gz LPPVWDASRJBUCL-MELADBBJSA-N 1 1 334.420 0.331 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980186936 749139501 /nfs/dbraw/zinc/13/95/01/749139501.db2.gz QBOJNNUBXNHVHL-DCAQKATOSA-N 1 1 330.226 0.597 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)Cn3ccnc3)CC2)C1=O ZINC000985816867 749161558 /nfs/dbraw/zinc/16/15/58/749161558.db2.gz RVWLIFGDUNNODX-INIZCTEOSA-N 1 1 345.447 0.593 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC34CC4)CC2)CC1 ZINC000985825238 749181511 /nfs/dbraw/zinc/18/15/11/749181511.db2.gz DHATXLQDBXVGHN-MRXNPFEDSA-N 1 1 344.459 0.692 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cn[nH]c3)CC2)CC1 ZINC000985826087 749184947 /nfs/dbraw/zinc/18/49/47/749184947.db2.gz QALXDXVCJCJASY-UHFFFAOYSA-N 1 1 346.435 0.481 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC1 ZINC000985829729 749195350 /nfs/dbraw/zinc/19/53/50/749195350.db2.gz RTVSNQGWIVSTEP-UHFFFAOYSA-N 1 1 342.443 0.305 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000980221836 749201500 /nfs/dbraw/zinc/20/15/00/749201500.db2.gz SINKFNWNAWTOAZ-RRFJBIMHSA-N 1 1 348.447 0.721 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cnn(CCOC)c3)C[C@H]2C1 ZINC000980234933 749217513 /nfs/dbraw/zinc/21/75/13/749217513.db2.gz YGOXHUJETKZZIF-YQQAZPJKSA-N 1 1 330.432 0.993 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC000980230124 749225627 /nfs/dbraw/zinc/22/56/27/749225627.db2.gz KKCYJKLOYWIYMJ-ARFHVFGLSA-N 1 1 345.447 0.130 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC000980248600 749237346 /nfs/dbraw/zinc/23/73/46/749237346.db2.gz UUBIENLCPLGJJE-IHRRRGAJSA-N 1 1 334.420 0.331 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cccnn3)C2)C1=O ZINC001029871910 749240907 /nfs/dbraw/zinc/24/09/07/749240907.db2.gz ACJIOVMKKRKKAV-HOCLYGCPSA-N 1 1 343.431 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cccnn2)C1 ZINC000980292606 749314541 /nfs/dbraw/zinc/31/45/41/749314541.db2.gz CGSURCCVUYFEJF-DZKIICNBSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cccnn2)C1 ZINC000980292606 749314545 /nfs/dbraw/zinc/31/45/45/749314545.db2.gz CGSURCCVUYFEJF-DZKIICNBSA-N 1 1 341.415 0.199 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 ZINC001004211112 749321806 /nfs/dbraw/zinc/32/18/06/749321806.db2.gz NCFFJGRROJJPLI-OAGGEKHMSA-N 1 1 326.400 0.853 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059675871 749361145 /nfs/dbraw/zinc/36/11/45/749361145.db2.gz DLLJISZYCHMSNO-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cnn(C)n3)C2)cn1 ZINC001029891858 749465977 /nfs/dbraw/zinc/46/59/77/749465977.db2.gz LZWPNECFLQURMK-AWEZNQCLSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cnn(C)n3)C2)cn1 ZINC001029891858 749465980 /nfs/dbraw/zinc/46/59/80/749465980.db2.gz LZWPNECFLQURMK-AWEZNQCLSA-N 1 1 338.415 0.786 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001004475293 749544852 /nfs/dbraw/zinc/54/48/52/749544852.db2.gz SLRQRSUPKFCCFW-QGZVFWFLSA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001004547652 749608725 /nfs/dbraw/zinc/60/87/25/749608725.db2.gz PAIWWGFNQUVCNF-YESZJQIVSA-N 1 1 347.459 0.746 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC001027939290 749644458 /nfs/dbraw/zinc/64/44/58/749644458.db2.gz MDODVFLENCVPEM-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC001027939290 749644464 /nfs/dbraw/zinc/64/44/64/749644464.db2.gz MDODVFLENCVPEM-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001004579389 749653050 /nfs/dbraw/zinc/65/30/50/749653050.db2.gz KCFQHWIJFRGCLY-KBPBESRZSA-N 1 1 334.420 0.474 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)n(C)n3)[C@H]2C)C1=O ZINC001088485218 749663625 /nfs/dbraw/zinc/66/36/25/749663625.db2.gz XPNHLPKSLPWCSQ-YCPHGPKFSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)n(C)n3)[C@H]2C)C1=O ZINC001088485218 749663628 /nfs/dbraw/zinc/66/36/28/749663628.db2.gz XPNHLPKSLPWCSQ-YCPHGPKFSA-N 1 1 345.447 0.708 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cc(C)n(C)n1 ZINC001027942837 749667644 /nfs/dbraw/zinc/66/76/44/749667644.db2.gz HZRNSAZYPWLMTJ-MSOLQXFVSA-N 1 1 343.475 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cc(C)n(C)n1 ZINC001027942837 749667649 /nfs/dbraw/zinc/66/76/49/749667649.db2.gz HZRNSAZYPWLMTJ-MSOLQXFVSA-N 1 1 343.475 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001004618573 749695027 /nfs/dbraw/zinc/69/50/27/749695027.db2.gz GAXMRJRPCNYZCN-ZWKOTPCHSA-N 1 1 347.459 0.570 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004632414 749710993 /nfs/dbraw/zinc/71/09/93/749710993.db2.gz FKGBRDGGKOXBEB-CVEARBPZSA-N 1 1 345.443 0.766 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000980549873 749734856 /nfs/dbraw/zinc/73/48/56/749734856.db2.gz MILSAKZMCFAFPU-LMRQPLJMSA-N 1 1 343.431 0.709 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)nc3C)[C@H]2C)C1=O ZINC001088498191 750001225 /nfs/dbraw/zinc/00/12/25/750001225.db2.gz MHDCBMAQUWXUCA-VNQPRFMTSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)nc3C)[C@H]2C)C1=O ZINC001088498191 750001229 /nfs/dbraw/zinc/00/12/29/750001229.db2.gz MHDCBMAQUWXUCA-VNQPRFMTSA-N 1 1 345.447 0.708 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001027969786 750057994 /nfs/dbraw/zinc/05/79/94/750057994.db2.gz VUYXBJFNPFTYBM-UPJWGTAASA-N 1 1 334.338 0.937 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058847381 750125918 /nfs/dbraw/zinc/12/59/18/750125918.db2.gz QSWIBJBQXSLRJZ-JKSUJKDBSA-N 1 1 339.480 0.868 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001058847369 750126208 /nfs/dbraw/zinc/12/62/08/750126208.db2.gz QMQDBMINPQJNLO-INIZCTEOSA-N 1 1 349.475 0.459 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001058848589 750160149 /nfs/dbraw/zinc/16/01/49/750160149.db2.gz HNEMPSWOXNWMTP-UONOGXRCSA-N 1 1 325.453 0.333 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001030181398 762015380 /nfs/dbraw/zinc/01/53/80/762015380.db2.gz DHQQRAQVSFWLOQ-KRWDZBQOSA-N 1 1 347.846 0.823 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001030181398 762015390 /nfs/dbraw/zinc/01/53/90/762015390.db2.gz DHQQRAQVSFWLOQ-KRWDZBQOSA-N 1 1 347.846 0.823 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088505679 750191853 /nfs/dbraw/zinc/19/18/53/750191853.db2.gz QLACNZIQSHGVIV-NEWSRXKRSA-N 1 1 341.455 0.948 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088505679 750191856 /nfs/dbraw/zinc/19/18/56/750191856.db2.gz QLACNZIQSHGVIV-NEWSRXKRSA-N 1 1 341.455 0.948 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)c3cc[nH]n3)CC2)C1=O ZINC001005133789 750267623 /nfs/dbraw/zinc/26/76/23/750267623.db2.gz LQCYTJNVHXVHSP-OAHLLOKOSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3cccnn3)C2)nn1 ZINC001105347629 750319246 /nfs/dbraw/zinc/31/92/46/750319246.db2.gz IWQHAOMGBCHUAB-UHFFFAOYSA-N 1 1 343.391 0.057 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001028010653 750357197 /nfs/dbraw/zinc/35/71/97/750357197.db2.gz YOLXWQYGYHWADV-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2c[nH]nc2C)C1=O ZINC001028061866 750443505 /nfs/dbraw/zinc/44/35/05/750443505.db2.gz GTKMBEAUNNHOBD-ZFWWWQNUSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c[nH]nc2C)C1=O ZINC001028061866 750443507 /nfs/dbraw/zinc/44/35/07/750443507.db2.gz GTKMBEAUNNHOBD-ZFWWWQNUSA-N 1 1 331.420 0.699 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)s1 ZINC001028073534 750506380 /nfs/dbraw/zinc/50/63/80/750506380.db2.gz VDIYCEKONQWIHT-RISCZKNCSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)s1 ZINC001028073534 750506384 /nfs/dbraw/zinc/50/63/84/750506384.db2.gz VDIYCEKONQWIHT-RISCZKNCSA-N 1 1 332.429 0.836 20 30 ECEDMO CCc1nc(C#N)cc(N(C)CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001105355552 750521677 /nfs/dbraw/zinc/52/16/77/750521677.db2.gz QQWXUZUQSWXLCJ-CQSZACIVSA-N 1 1 346.435 0.136 20 30 ECEDMO CCc1nc(C#N)cc(N(C)CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001105355552 750521680 /nfs/dbraw/zinc/52/16/80/750521680.db2.gz QQWXUZUQSWXLCJ-CQSZACIVSA-N 1 1 346.435 0.136 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cn(CC)nn3)[C@@H]2C)nn1 ZINC000987135790 750523847 /nfs/dbraw/zinc/52/38/47/750523847.db2.gz RLCBAEYWEMVKLB-JSGCOSHPSA-N 1 1 344.423 0.468 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccc[nH]2)C1 ZINC001005697437 750534764 /nfs/dbraw/zinc/53/47/64/750534764.db2.gz CBZMNBRVUWPCOO-BBRMVZONSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccc[nH]2)C1 ZINC001005697437 750534767 /nfs/dbraw/zinc/53/47/67/750534767.db2.gz CBZMNBRVUWPCOO-BBRMVZONSA-N 1 1 328.416 0.689 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001005826050 750693509 /nfs/dbraw/zinc/69/35/09/750693509.db2.gz ZRPWVVBBTCXRGQ-SUMWQHHRSA-N 1 1 340.427 0.734 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001005942490 750825477 /nfs/dbraw/zinc/82/54/77/750825477.db2.gz CVAIQLBGKVBWOC-GFCCVEGCSA-N 1 1 340.387 0.668 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001005942522 750826853 /nfs/dbraw/zinc/82/68/53/750826853.db2.gz DIZDKINDEUVXCF-RYUDHWBXSA-N 1 1 329.404 0.415 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)[C@@H]4CCCO4)C3)C2)C1=O ZINC000981606640 750861420 /nfs/dbraw/zinc/86/14/20/750861420.db2.gz MVAVAWYYUXKSGQ-CVEARBPZSA-N 1 1 347.459 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2[nH]ccc2C)C1 ZINC001005989617 750891353 /nfs/dbraw/zinc/89/13/53/750891353.db2.gz LOVXSOLGVOHGEJ-HOCLYGCPSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2[nH]ccc2C)C1 ZINC001005989617 750891362 /nfs/dbraw/zinc/89/13/62/750891362.db2.gz LOVXSOLGVOHGEJ-HOCLYGCPSA-N 1 1 342.443 0.997 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)C1 ZINC000987541201 750951511 /nfs/dbraw/zinc/95/15/11/750951511.db2.gz JKPFENVSALZKOJ-NFAWXSAZSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC000981712447 750991526 /nfs/dbraw/zinc/99/15/26/750991526.db2.gz JBJLZMOLAYGAEZ-UHFFFAOYSA-N 1 1 332.404 0.686 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)C1 ZINC000987647760 751052598 /nfs/dbraw/zinc/05/25/98/751052598.db2.gz URXBGLLTKZCEIX-IOASZLSFSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC000981795639 751112645 /nfs/dbraw/zinc/11/26/45/751112645.db2.gz CUOBTJHFPMQCAM-OAHLLOKOSA-N 1 1 333.432 0.039 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)Cn3ccc(=O)n(C)c3=O)C2)C1 ZINC000981802551 751119154 /nfs/dbraw/zinc/11/91/54/751119154.db2.gz IDNSSVQYOBZXPT-UHFFFAOYSA-N 1 1 346.431 0.048 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC001098514239 751163653 /nfs/dbraw/zinc/16/36/53/751163653.db2.gz LWFDTHUTJUZPIS-WBVHZDCISA-N 1 1 338.448 0.347 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)nn1 ZINC001105358283 751171339 /nfs/dbraw/zinc/17/13/39/751171339.db2.gz VOFSNNSADVAPGX-CYBMUJFWSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C2)C1 ZINC000981843322 751184906 /nfs/dbraw/zinc/18/49/06/751184906.db2.gz ZFJVSGQSBYQNKL-UHFFFAOYSA-N 1 1 338.473 0.922 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc(F)c[nH]2)C1 ZINC001006317454 751239608 /nfs/dbraw/zinc/23/96/08/751239608.db2.gz ZRIMKLYRFUEUAJ-WBMJQRKESA-N 1 1 346.406 0.828 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc(F)c[nH]2)C1 ZINC001006317454 751239610 /nfs/dbraw/zinc/23/96/10/751239610.db2.gz ZRIMKLYRFUEUAJ-WBMJQRKESA-N 1 1 346.406 0.828 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc[nH]n2)C1 ZINC001006317529 751239680 /nfs/dbraw/zinc/23/96/80/751239680.db2.gz HLTUVWFPBIWDGN-WFASDCNBSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc[nH]n2)C1 ZINC001006317529 751239682 /nfs/dbraw/zinc/23/96/82/751239682.db2.gz HLTUVWFPBIWDGN-WFASDCNBSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccnn2C)C1 ZINC001006318992 751240872 /nfs/dbraw/zinc/24/08/72/751240872.db2.gz KNDLGNNYWCJVPH-ZFWWWQNUSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccnn2C)C1 ZINC001006318992 751240877 /nfs/dbraw/zinc/24/08/77/751240877.db2.gz KNDLGNNYWCJVPH-ZFWWWQNUSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cscn2)C1 ZINC001006318937 751241186 /nfs/dbraw/zinc/24/11/86/751241186.db2.gz KDKYUOIRHYZJJF-WFASDCNBSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cscn2)C1 ZINC001006318937 751241192 /nfs/dbraw/zinc/24/11/92/751241192.db2.gz KDKYUOIRHYZJJF-WFASDCNBSA-N 1 1 346.456 0.817 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001087435043 751244268 /nfs/dbraw/zinc/24/42/68/751244268.db2.gz UJFGKSWUKAJACQ-HUUCEWRRSA-N 1 1 326.404 0.984 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001087435043 751244273 /nfs/dbraw/zinc/24/42/73/751244273.db2.gz UJFGKSWUKAJACQ-HUUCEWRRSA-N 1 1 326.404 0.984 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCOC2)C1 ZINC001006322430 751245145 /nfs/dbraw/zinc/24/51/45/751245145.db2.gz UUFQLWIIQVUAAN-DZKIICNBSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCOC2)C1 ZINC001006322430 751245149 /nfs/dbraw/zinc/24/51/49/751245149.db2.gz UUFQLWIIQVUAAN-DZKIICNBSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nncn4CC3)C2)C1 ZINC000981899488 751256095 /nfs/dbraw/zinc/25/60/95/751256095.db2.gz KQTABPSEVRFNCU-OAHLLOKOSA-N 1 1 327.432 0.788 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2c3n(c(=O)n2C)CCCC3)CC1 ZINC000981950839 751327874 /nfs/dbraw/zinc/32/78/74/751327874.db2.gz HVKOVYHVZGOPPC-UHFFFAOYSA-N 1 1 330.432 0.694 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](O)C2)C1 ZINC000991611428 762116358 /nfs/dbraw/zinc/11/63/58/762116358.db2.gz JMGPCCOGYKYUEI-HUUCEWRRSA-N 1 1 346.431 0.626 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(COC)no3)C2)cn1 ZINC001020948192 752374280 /nfs/dbraw/zinc/37/42/80/752374280.db2.gz YOKWISZGHMAUAA-HDJSIYSDSA-N 1 1 341.371 0.643 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1C ZINC000988614649 752383084 /nfs/dbraw/zinc/38/30/84/752383084.db2.gz VACFLNLYIVJXTJ-SMDDNHRTSA-N 1 1 341.419 0.970 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000988624617 752403409 /nfs/dbraw/zinc/40/34/09/752403409.db2.gz JIEMEWABQLQSRK-DZGCQCFKSA-N 1 1 336.436 0.174 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000988624617 752403413 /nfs/dbraw/zinc/40/34/13/752403413.db2.gz JIEMEWABQLQSRK-DZGCQCFKSA-N 1 1 336.436 0.174 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@@]2(C)C1 ZINC000982485640 752405095 /nfs/dbraw/zinc/40/50/95/752405095.db2.gz IUCZEOGFWCCRFQ-ZMYBRWDISA-N 1 1 341.459 0.724 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1OC ZINC001212022526 752416893 /nfs/dbraw/zinc/41/68/93/752416893.db2.gz WATDUPSQGLYLPC-ZIAGYGMSSA-N 1 1 347.481 0.050 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1OC ZINC001212022526 752416898 /nfs/dbraw/zinc/41/68/98/752416898.db2.gz WATDUPSQGLYLPC-ZIAGYGMSSA-N 1 1 347.481 0.050 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001212036221 752425957 /nfs/dbraw/zinc/42/59/57/752425957.db2.gz NOTAMSIGBRVDCT-RBSFLKMASA-N 1 1 341.452 0.261 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001212036221 752425963 /nfs/dbraw/zinc/42/59/63/752425963.db2.gz NOTAMSIGBRVDCT-RBSFLKMASA-N 1 1 341.452 0.261 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cncn2C)C1 ZINC001007519345 752475795 /nfs/dbraw/zinc/47/57/95/752475795.db2.gz OVGUJWJDJYDOLF-WBVHZDCISA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cncn2C)C1 ZINC001007519345 752475800 /nfs/dbraw/zinc/47/58/00/752475800.db2.gz OVGUJWJDJYDOLF-WBVHZDCISA-N 1 1 329.448 0.598 20 30 ECEDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC000982502259 752590164 /nfs/dbraw/zinc/59/01/64/752590164.db2.gz DWTMSXDQYOOPTF-HDICACEKSA-N 1 1 344.390 0.853 20 30 ECEDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC000982502259 752590173 /nfs/dbraw/zinc/59/01/73/752590173.db2.gz DWTMSXDQYOOPTF-HDICACEKSA-N 1 1 344.390 0.853 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@]2(C)CN(C(=O)C(N)=O)C[C@@]2(C)C1 ZINC000982504004 752602429 /nfs/dbraw/zinc/60/24/29/752602429.db2.gz SQQUAULOJFKNTJ-BETUJISGSA-N 1 1 330.226 0.551 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@]2(C)CN(C(=O)C(N)=O)C[C@@]2(C)C1 ZINC000982504004 752602431 /nfs/dbraw/zinc/60/24/31/752602431.db2.gz SQQUAULOJFKNTJ-BETUJISGSA-N 1 1 330.226 0.551 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc[nH]2)[C@@H]1C ZINC000988736536 752635300 /nfs/dbraw/zinc/63/53/00/752635300.db2.gz DHZJIFDYMAOSCY-YCPHGPKFSA-N 1 1 328.416 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc[nH]2)[C@@H]1C ZINC000988736536 752635307 /nfs/dbraw/zinc/63/53/07/752635307.db2.gz DHZJIFDYMAOSCY-YCPHGPKFSA-N 1 1 328.416 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@@H]1C ZINC000988734696 752636423 /nfs/dbraw/zinc/63/64/23/752636423.db2.gz MKTDWHFVSRFHKX-INWMFGNUSA-N 1 1 346.406 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@@H]1C ZINC000988734696 752636429 /nfs/dbraw/zinc/63/64/29/752636429.db2.gz MKTDWHFVSRFHKX-INWMFGNUSA-N 1 1 346.406 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccon2)[C@@H]1C ZINC000988738604 752641974 /nfs/dbraw/zinc/64/19/74/752641974.db2.gz QUYJLYZMWXDARL-IPYPFGDCSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccon2)[C@@H]1C ZINC000988738604 752641979 /nfs/dbraw/zinc/64/19/79/752641979.db2.gz QUYJLYZMWXDARL-IPYPFGDCSA-N 1 1 330.388 0.491 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cscn3)C2)C1=O ZINC001028441838 752660148 /nfs/dbraw/zinc/66/01/48/752660148.db2.gz OVXAWEBUVMROIW-OCCSQVGLSA-N 1 1 334.445 0.982 20 30 ECEDMO N#Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCC2)c[nH]1 ZINC001021230431 752680738 /nfs/dbraw/zinc/68/07/38/752680738.db2.gz OINVVKIDFLMYGL-VHRNVKJDSA-N 1 1 341.415 0.844 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028448585 752685068 /nfs/dbraw/zinc/68/50/68/752685068.db2.gz JZONNDYBDYAGHL-WDEREUQCSA-N 1 1 330.226 0.612 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028448585 752685070 /nfs/dbraw/zinc/68/50/70/752685070.db2.gz JZONNDYBDYAGHL-WDEREUQCSA-N 1 1 330.226 0.612 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001028452005 752688817 /nfs/dbraw/zinc/68/88/17/752688817.db2.gz CZYCKQWMANHMOG-HUUCEWRRSA-N 1 1 345.447 0.865 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](CNC(=O)c3[nH]nc(C)c3C)C2)C1=O ZINC001028452005 752688825 /nfs/dbraw/zinc/68/88/25/752688825.db2.gz CZYCKQWMANHMOG-HUUCEWRRSA-N 1 1 345.447 0.865 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CNC(C)=O ZINC001211776835 752697764 /nfs/dbraw/zinc/69/77/64/752697764.db2.gz SDURINICKOSMAN-HZPDHXFCSA-N 1 1 330.388 0.010 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CNC(C)=O ZINC001211776835 752697767 /nfs/dbraw/zinc/69/77/67/752697767.db2.gz SDURINICKOSMAN-HZPDHXFCSA-N 1 1 330.388 0.010 20 30 ECEDMO CC#CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098645423 752703168 /nfs/dbraw/zinc/70/31/68/752703168.db2.gz LWSXAFQHBOXXDZ-JKSUJKDBSA-N 1 1 330.436 0.259 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001007655362 752721170 /nfs/dbraw/zinc/72/11/70/752721170.db2.gz HELKVCGDQLDGTB-CXAGYDPISA-N 1 1 345.403 0.181 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCCO2)[C@H](OC)C1 ZINC001212098380 752721711 /nfs/dbraw/zinc/72/17/11/752721711.db2.gz HPVJIQPAQBCWNI-ARFHVFGLSA-N 1 1 326.437 0.964 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001087457928 752751036 /nfs/dbraw/zinc/75/10/36/752751036.db2.gz YVBQLSYCMZCRIK-OWCLPIDISA-N 1 1 344.390 0.414 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001087457928 752751041 /nfs/dbraw/zinc/75/10/41/752751041.db2.gz YVBQLSYCMZCRIK-OWCLPIDISA-N 1 1 344.390 0.414 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)c1 ZINC001028469743 752757438 /nfs/dbraw/zinc/75/74/38/752757438.db2.gz VFOLFPBYSIVHMV-DZGCQCFKSA-N 1 1 342.403 0.196 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001028472802 752770504 /nfs/dbraw/zinc/77/05/04/752770504.db2.gz WXBLQXRAAVLUSB-VXGBXAGGSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001028472802 752770510 /nfs/dbraw/zinc/77/05/10/752770510.db2.gz WXBLQXRAAVLUSB-VXGBXAGGSA-N 1 1 344.253 0.859 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028486488 752821932 /nfs/dbraw/zinc/82/19/32/752821932.db2.gz GNKLJEXAKXLWOB-XJKSGUPXSA-N 1 1 341.415 0.725 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)c[nH]1 ZINC001028488598 752824137 /nfs/dbraw/zinc/82/41/37/752824137.db2.gz AHECZGOJMQKTOH-CQSZACIVSA-N 1 1 343.431 0.951 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001007719718 752856558 /nfs/dbraw/zinc/85/65/58/752856558.db2.gz UYGWLKKZUBLQLU-KBXCAEBGSA-N 1 1 348.447 0.460 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@]2(C)C1 ZINC000982553458 752873702 /nfs/dbraw/zinc/87/37/02/752873702.db2.gz LRYOLQZMUKJMHY-IHETXDGRSA-N 1 1 335.448 0.766 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccn(C3CCOCC3)n2)[C@@H](O)C1 ZINC001083460831 752890843 /nfs/dbraw/zinc/89/08/43/752890843.db2.gz AQISSJMLDSNMCG-CVEARBPZSA-N 1 1 334.420 0.586 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001007751210 752896081 /nfs/dbraw/zinc/89/60/81/752896081.db2.gz YGPDSDLIWNILNE-CYBMUJFWSA-N 1 1 328.376 0.537 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3coc(C)n3)C2)C1=O ZINC001028500002 752917482 /nfs/dbraw/zinc/91/74/82/752917482.db2.gz OBOFZCMFVPOHKG-HIFRSBDPSA-N 1 1 332.404 0.822 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000982575974 752952022 /nfs/dbraw/zinc/95/20/22/752952022.db2.gz SHVSLYPIDXAYQD-HOCLYGCPSA-N 1 1 343.431 0.015 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000982575974 752952024 /nfs/dbraw/zinc/95/20/24/752952024.db2.gz SHVSLYPIDXAYQD-HOCLYGCPSA-N 1 1 343.431 0.015 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028519096 753016017 /nfs/dbraw/zinc/01/60/17/753016017.db2.gz JOVSXPSQHXRFBT-DOMZBBRYSA-N 1 1 328.372 0.605 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(C)nn3)C2)C1=O ZINC001028534719 753083459 /nfs/dbraw/zinc/08/34/59/753083459.db2.gz FEVOCRGXKZGTEN-GDBMZVCRSA-N 1 1 343.431 0.624 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028536732 753096423 /nfs/dbraw/zinc/09/64/23/753096423.db2.gz WTDRVFKQRSRNKC-KGLIPLIRSA-N 1 1 331.420 0.777 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001007950768 753117944 /nfs/dbraw/zinc/11/79/44/753117944.db2.gz ICGHLVXMUCJRHM-CQSZACIVSA-N 1 1 327.450 0.016 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001007954777 753126045 /nfs/dbraw/zinc/12/60/45/753126045.db2.gz TYWABCODBQDHBN-CQSZACIVSA-N 1 1 329.466 0.569 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C ZINC001007965395 753143945 /nfs/dbraw/zinc/14/39/45/753143945.db2.gz HUKZEORYEREWFP-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000982665635 753258715 /nfs/dbraw/zinc/25/87/15/753258715.db2.gz RHQHVFBCHVWQRT-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc3n2CCCC3)C1 ZINC001051494902 762206561 /nfs/dbraw/zinc/20/65/61/762206561.db2.gz OZHONCXKEDUASA-OLZOCXBDSA-N 1 1 332.408 0.091 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC001051495110 762207742 /nfs/dbraw/zinc/20/77/42/762207742.db2.gz QVJRXJZLROJPOS-TZMCWYRMSA-N 1 1 334.424 0.510 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2CC(F)F)C1 ZINC001051495931 762210973 /nfs/dbraw/zinc/21/09/73/762210973.db2.gz YXIILHAOCVGNOH-WDEREUQCSA-N 1 1 342.350 0.020 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)C1 ZINC001008177183 753426277 /nfs/dbraw/zinc/42/62/77/753426277.db2.gz ZEFDGTZXWFCGAU-ZFWWWQNUSA-N 1 1 343.431 0.805 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)s1 ZINC001008180344 753430801 /nfs/dbraw/zinc/43/08/01/753430801.db2.gz ZPNWLBTXSDYQQI-RISCZKNCSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)s1 ZINC001008180344 753430803 /nfs/dbraw/zinc/43/08/03/753430803.db2.gz ZPNWLBTXSDYQQI-RISCZKNCSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001008180707 753431636 /nfs/dbraw/zinc/43/16/36/753431636.db2.gz BWLKNAMLIJRZLM-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cnn(C)c2)[C@@H]1C ZINC001088631305 753431686 /nfs/dbraw/zinc/43/16/86/753431686.db2.gz DVEMAABQWNLLSF-NJAFHUGGSA-N 1 1 343.475 0.639 20 30 ECEDMO CCCN(CCNC(=O)Cn1c[nH+]cc1C)c1ccc(C#N)nn1 ZINC001101207313 753534789 /nfs/dbraw/zinc/53/47/89/753534789.db2.gz VKPSANXFXDLMTJ-UHFFFAOYSA-N 1 1 327.392 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)CSC)CC1(C)C ZINC001008274208 753536144 /nfs/dbraw/zinc/53/61/44/753536144.db2.gz AVQACUUXWRPRHY-KBPBESRZSA-N 1 1 337.489 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)CSC)CC1(C)C ZINC001008274208 753536151 /nfs/dbraw/zinc/53/61/51/753536151.db2.gz AVQACUUXWRPRHY-KBPBESRZSA-N 1 1 337.489 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H](C)OC)CC1(C)C ZINC001008279488 753542102 /nfs/dbraw/zinc/54/21/02/753542102.db2.gz XKULRPGLYXGOLA-SOUVJXGZSA-N 1 1 335.448 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H](C)OC)CC1(C)C ZINC001008279488 753542107 /nfs/dbraw/zinc/54/21/07/753542107.db2.gz XKULRPGLYXGOLA-SOUVJXGZSA-N 1 1 335.448 0.472 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2nc(Cl)c(C#N)s2)C1 ZINC001105853351 762224453 /nfs/dbraw/zinc/22/44/53/762224453.db2.gz MHPBWWIXGIDSTB-DTWKUNHWSA-N 1 1 343.840 0.509 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001008415323 753722478 /nfs/dbraw/zinc/72/24/78/753722478.db2.gz CKWSOTRQWSRVFN-OCCSQVGLSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001008415323 753722483 /nfs/dbraw/zinc/72/24/83/753722483.db2.gz CKWSOTRQWSRVFN-OCCSQVGLSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001008415310 753722536 /nfs/dbraw/zinc/72/25/36/753722536.db2.gz CKWSOTRQWSRVFN-GXTWGEPZSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001008415310 753722539 /nfs/dbraw/zinc/72/25/39/753722539.db2.gz CKWSOTRQWSRVFN-GXTWGEPZSA-N 1 1 347.419 0.107 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cc1 ZINC001083392506 753793859 /nfs/dbraw/zinc/79/38/59/753793859.db2.gz LVIIHZXJBDUCBD-SJORKVTESA-N 1 1 340.383 0.870 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cc1 ZINC001083392506 753793862 /nfs/dbraw/zinc/79/38/62/753793862.db2.gz LVIIHZXJBDUCBD-SJORKVTESA-N 1 1 340.383 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000982812507 753829875 /nfs/dbraw/zinc/82/98/75/753829875.db2.gz MRYMSQUJQCROAC-CABCVRRESA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000982812507 753829884 /nfs/dbraw/zinc/82/98/84/753829884.db2.gz MRYMSQUJQCROAC-CABCVRRESA-N 1 1 343.431 0.394 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001075941447 753901458 /nfs/dbraw/zinc/90/14/58/753901458.db2.gz VERURGHUKHQQAM-BBRMVZONSA-N 1 1 328.416 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1cc(OCC)ncn1 ZINC001105598994 753963037 /nfs/dbraw/zinc/96/30/37/753963037.db2.gz ANFOZEXCCSQYES-HNNXBMFYSA-N 1 1 345.447 0.868 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1cc(OCC)ncn1 ZINC001105598994 753963043 /nfs/dbraw/zinc/96/30/43/753963043.db2.gz ANFOZEXCCSQYES-HNNXBMFYSA-N 1 1 345.447 0.868 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC[N@H+]1C ZINC000925320572 753987653 /nfs/dbraw/zinc/98/76/53/753987653.db2.gz MENWTLRJYAYSDI-ZFWWWQNUSA-N 1 1 328.420 0.877 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3cn(C)nn3)C[C@@]2(C)C1 ZINC000982853026 753999630 /nfs/dbraw/zinc/99/96/30/753999630.db2.gz DFMXGFBQXRCADK-HDICACEKSA-N 1 1 329.448 0.941 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3c(OC)ncnc3OC)C[C@@]2(C)C1 ZINC000982856200 754005733 /nfs/dbraw/zinc/00/57/33/754005733.db2.gz YDMKXTDXHCUDDW-HDICACEKSA-N 1 1 344.415 0.911 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001008671736 754007586 /nfs/dbraw/zinc/00/75/86/754007586.db2.gz OFSPAXRKFKPFTP-ZFWWWQNUSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001008671736 754007590 /nfs/dbraw/zinc/00/75/90/754007590.db2.gz OFSPAXRKFKPFTP-ZFWWWQNUSA-N 1 1 331.420 0.320 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCCNC3=O)CC2)cn1 ZINC000989511258 754061021 /nfs/dbraw/zinc/06/10/21/754061021.db2.gz OZWIOHOBFKRZQW-INIZCTEOSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCCNC3=O)CC2)cn1 ZINC000989511258 754061029 /nfs/dbraw/zinc/06/10/29/754061029.db2.gz OZWIOHOBFKRZQW-INIZCTEOSA-N 1 1 326.400 0.489 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nonc3C)C[C@H]2C)nn1 ZINC000989537448 754082477 /nfs/dbraw/zinc/08/24/77/754082477.db2.gz UROQOSGALUTPIE-PWSUYJOCSA-N 1 1 331.380 0.548 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001008791841 754122757 /nfs/dbraw/zinc/12/27/57/754122757.db2.gz ALNOSKPUCJSYDZ-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001008791841 754122762 /nfs/dbraw/zinc/12/27/62/754122762.db2.gz ALNOSKPUCJSYDZ-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CCN3CCCC3=O)C2)nn1 ZINC001008798391 754129731 /nfs/dbraw/zinc/12/97/31/754129731.db2.gz ITCAWUZTVCJVKJ-AWEZNQCLSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)nn1 ZINC001008798391 754129734 /nfs/dbraw/zinc/12/97/34/754129734.db2.gz ITCAWUZTVCJVKJ-AWEZNQCLSA-N 1 1 346.435 0.281 20 30 ECEDMO Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)co1 ZINC001051524061 762275500 /nfs/dbraw/zinc/27/55/00/762275500.db2.gz PIDDJYPHZLLGTE-CQSZACIVSA-N 1 1 329.360 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cncs2)C1 ZINC000982922042 754204279 /nfs/dbraw/zinc/20/42/79/754204279.db2.gz JGHJJAGJFSPFAK-KBPBESRZSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cncs2)C1 ZINC000982922042 754204283 /nfs/dbraw/zinc/20/42/83/754204283.db2.gz JGHJJAGJFSPFAK-KBPBESRZSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC000982924520 754210411 /nfs/dbraw/zinc/21/04/11/754210411.db2.gz YLAFDUBMNCUQHT-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC000982924520 754210415 /nfs/dbraw/zinc/21/04/15/754210415.db2.gz YLAFDUBMNCUQHT-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2[nH]ccc2C)C1 ZINC000982924506 754210950 /nfs/dbraw/zinc/21/09/50/754210950.db2.gz YIMAVYGAYBFUFD-HOTGVXAUSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2[nH]ccc2C)C1 ZINC000982924506 754210956 /nfs/dbraw/zinc/21/09/56/754210956.db2.gz YIMAVYGAYBFUFD-HOTGVXAUSA-N 1 1 342.443 0.999 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C(N)=O)cn3C)CCC[C@@H]12 ZINC000991629947 762295249 /nfs/dbraw/zinc/29/52/49/762295249.db2.gz YFMMDHOSDWVNKN-QAPCUYQASA-N 1 1 328.416 0.874 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCC2)[C@H](OC)C1 ZINC001213232356 754462660 /nfs/dbraw/zinc/46/26/60/754462660.db2.gz FLSZDCKSOGWUGK-OAGGEKHMSA-N 1 1 326.437 0.820 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](NCc3cnns3)C[C@@H]2C)CC1 ZINC000989828710 754497683 /nfs/dbraw/zinc/49/76/83/754497683.db2.gz HVAHUOUHFCOYBD-ZFWWWQNUSA-N 1 1 347.488 0.962 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@H]1C ZINC001088699815 754673837 /nfs/dbraw/zinc/67/38/37/754673837.db2.gz FYMMSWOGFOPHAX-ZBFHGGJFSA-N 1 1 331.416 0.711 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001009228732 754684554 /nfs/dbraw/zinc/68/45/54/754684554.db2.gz QCKKEZDCSYATAA-WCXIOVBPSA-N 1 1 329.444 0.705 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001009273286 754729920 /nfs/dbraw/zinc/72/99/20/754729920.db2.gz FDOZXHDHXWDAQS-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001009273286 754729922 /nfs/dbraw/zinc/72/99/22/754729922.db2.gz FDOZXHDHXWDAQS-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC001051554636 762328247 /nfs/dbraw/zinc/32/82/47/762328247.db2.gz HQMMKGYHFAYHEI-LBPRGKRZSA-N 1 1 330.348 0.209 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(CC)n[nH]1 ZINC001075692487 754739081 /nfs/dbraw/zinc/73/90/81/754739081.db2.gz AXKAHUMQQQTFKU-BBRMVZONSA-N 1 1 345.447 0.694 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(CC)n[nH]1 ZINC001075692487 754739084 /nfs/dbraw/zinc/73/90/84/754739084.db2.gz AXKAHUMQQQTFKU-BBRMVZONSA-N 1 1 345.447 0.694 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)c1 ZINC000990160823 754786058 /nfs/dbraw/zinc/78/60/58/754786058.db2.gz KVJCGBWPSOURMR-WBVHZDCISA-N 1 1 339.403 0.905 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)c1 ZINC000990164060 754789843 /nfs/dbraw/zinc/78/98/43/754789843.db2.gz RNSZDPGVHLELJF-CRAIPNDOSA-N 1 1 341.415 0.845 20 30 ECEDMO Cc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC001051556767 762334439 /nfs/dbraw/zinc/33/44/39/762334439.db2.gz ZBJRRMJQRLXQDR-CQSZACIVSA-N 1 1 340.387 0.616 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001028711645 754795863 /nfs/dbraw/zinc/79/58/63/754795863.db2.gz DDZAFOVEUDYWGQ-CABCVRRESA-N 1 1 330.432 0.999 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001009360395 754804252 /nfs/dbraw/zinc/80/42/52/754804252.db2.gz ZAMTXTVTJYSZLI-LBPRGKRZSA-N 1 1 325.372 0.948 20 30 ECEDMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1)c1nncn1C ZINC001051562535 762343211 /nfs/dbraw/zinc/34/32/11/762343211.db2.gz HYENKSOSIVZHSC-RISCZKNCSA-N 1 1 343.391 0.207 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1)c1nncn1C ZINC001051562533 762343530 /nfs/dbraw/zinc/34/35/30/762343530.db2.gz HYENKSOSIVZHSC-BXUZGUMPSA-N 1 1 343.391 0.207 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)cc1F ZINC001028734792 754909636 /nfs/dbraw/zinc/90/96/36/754909636.db2.gz CINGDCWWXFOWLJ-ZFWWWQNUSA-N 1 1 344.390 0.772 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028736361 754920171 /nfs/dbraw/zinc/92/01/71/754920171.db2.gz DHDBQJKWTKNADV-WDEREUQCSA-N 1 1 330.226 0.469 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028736361 754920176 /nfs/dbraw/zinc/92/01/76/754920176.db2.gz DHDBQJKWTKNADV-WDEREUQCSA-N 1 1 330.226 0.469 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000983269903 755031697 /nfs/dbraw/zinc/03/16/97/755031697.db2.gz WIXYHKCHRZCBCG-CVEARBPZSA-N 1 1 340.427 0.593 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001028772637 755059655 /nfs/dbraw/zinc/05/96/55/755059655.db2.gz DWWUJIFBSNCDEN-DOMZBBRYSA-N 1 1 345.378 0.317 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c[nH]nc3CC)C2)nn1 ZINC001098688798 755069115 /nfs/dbraw/zinc/06/91/15/755069115.db2.gz YTQDKFFUNUTIPT-ZDUSSCGKSA-N 1 1 329.408 0.926 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@](C)(NC(C)=O)C(C)C)C2)nn1 ZINC001105378609 755128106 /nfs/dbraw/zinc/12/81/06/755128106.db2.gz GUJKKZUOOPQOGM-QGZVFWFLSA-N 1 1 348.451 0.488 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3nc(OC)cc(OC)n3)[C@@H]2C1 ZINC001075950676 755138714 /nfs/dbraw/zinc/13/87/14/755138714.db2.gz SMNWIQBHEDUQQY-QWHCGFSZSA-N 1 1 330.388 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)n1cccn1 ZINC001075706847 755171544 /nfs/dbraw/zinc/17/15/44/755171544.db2.gz YMVOYQNAUZTURZ-XHSDSOJGSA-N 1 1 345.447 0.553 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)n1cccn1 ZINC001075706847 755171547 /nfs/dbraw/zinc/17/15/47/755171547.db2.gz YMVOYQNAUZTURZ-XHSDSOJGSA-N 1 1 345.447 0.553 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001028809128 755198093 /nfs/dbraw/zinc/19/80/93/755198093.db2.gz KOHBZZFRMJDJKC-BMFZPTHFSA-N 1 1 333.436 0.827 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001028809128 755198096 /nfs/dbraw/zinc/19/80/96/755198096.db2.gz KOHBZZFRMJDJKC-BMFZPTHFSA-N 1 1 333.436 0.827 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001028809668 755199213 /nfs/dbraw/zinc/19/92/13/755199213.db2.gz MYYVLWDKBJDMJY-KFWWJZLASA-N 1 1 336.436 0.041 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001028853772 755314321 /nfs/dbraw/zinc/31/43/21/755314321.db2.gz YECISOUVFXKRNG-UKRRQHHQSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C4=CCOCC4)[C@@H]3C2)C1=O ZINC001075721052 755317009 /nfs/dbraw/zinc/31/70/09/755317009.db2.gz PYZNDOSFNJXLMJ-YESZJQIVSA-N 1 1 345.443 0.653 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)nn1 ZINC001028857632 755322502 /nfs/dbraw/zinc/32/25/02/755322502.db2.gz ZFJIRKHMLNGEFR-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)nn1 ZINC001028857632 755322510 /nfs/dbraw/zinc/32/25/10/755322510.db2.gz ZFJIRKHMLNGEFR-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO COCCN(CCNC(=O)Cn1c[nH+]cc1C)c1cncc(C#N)n1 ZINC001126441289 755328524 /nfs/dbraw/zinc/32/85/24/755328524.db2.gz YURZGDPPSRMXDO-UHFFFAOYSA-N 1 1 343.391 0.122 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001028872757 755354653 /nfs/dbraw/zinc/35/46/53/755354653.db2.gz JFODRYSSHVEQSE-HUUCEWRRSA-N 1 1 345.447 0.865 20 30 ECEDMO CN(C[C@@H]1CCCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000990534486 755355726 /nfs/dbraw/zinc/35/57/26/755355726.db2.gz RHMGDJKVHDLWQH-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C[C@@H]1CCCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000990534486 755355730 /nfs/dbraw/zinc/35/57/30/755355730.db2.gz RHMGDJKVHDLWQH-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)[C@@H]2C1 ZINC001075971927 755533170 /nfs/dbraw/zinc/53/31/70/755533170.db2.gz PLBCLNXDDUZFJF-SMDDNHRTSA-N 1 1 325.372 0.833 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC001075986768 755570822 /nfs/dbraw/zinc/57/08/22/755570822.db2.gz LESDJUPYWRURQF-NWDGAFQWSA-N 1 1 339.417 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000990668305 755591280 /nfs/dbraw/zinc/59/12/80/755591280.db2.gz IGISPHXHAHOOEU-VVLHAWIVSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000990668305 755591286 /nfs/dbraw/zinc/59/12/86/755591286.db2.gz IGISPHXHAHOOEU-VVLHAWIVSA-N 1 1 329.444 0.847 20 30 ECEDMO C=C(Br)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472611 755592102 /nfs/dbraw/zinc/59/21/02/755592102.db2.gz HZPKHCNNJYTSFM-LPWJVIDDSA-N 1 1 346.269 0.397 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990708958 755683836 /nfs/dbraw/zinc/68/38/36/755683836.db2.gz LQKYBTAMENEILF-OAHLLOKOSA-N 1 1 329.404 0.700 20 30 ECEDMO C=CCCOCC(=O)NCC1CC([NH2+]Cc2nnnn2C2CC2)C1 ZINC001101055004 755689403 /nfs/dbraw/zinc/68/94/03/755689403.db2.gz CUSXJEIVXQGZSK-UHFFFAOYSA-N 1 1 334.424 0.585 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088793335 755707585 /nfs/dbraw/zinc/70/75/85/755707585.db2.gz CUGOHDPHYVSISE-XFJVYGCCSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088793335 755707588 /nfs/dbraw/zinc/70/75/88/755707588.db2.gz CUGOHDPHYVSISE-XFJVYGCCSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088795812 755716573 /nfs/dbraw/zinc/71/65/73/755716573.db2.gz NQLWCTKXWJVUER-UHOFOFEASA-N 1 1 341.415 0.661 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)[C@@H](O)C1 ZINC001083504390 755764105 /nfs/dbraw/zinc/76/41/05/755764105.db2.gz ZODZUJMPIZXNFD-BMFZPTHFSA-N 1 1 337.464 0.761 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CNC(=O)OC)CC1 ZINC001105672905 755789342 /nfs/dbraw/zinc/78/93/42/755789342.db2.gz DYEIZLJVMLBZMW-IYBDPMFKSA-N 1 1 348.447 0.115 20 30 ECEDMO CC(C)[C@@H]1N(C(=O)C[N@@H+](C)C(C)C)C[C@]12C[C@@H](O)[C@H](NCC#N)C2 ZINC001105675949 755842050 /nfs/dbraw/zinc/84/20/50/755842050.db2.gz SGPHNPAVCCVLRQ-LMSBXDPUSA-N 1 1 336.480 0.816 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)COCC=C)CC1 ZINC001105678797 755936133 /nfs/dbraw/zinc/93/61/33/755936133.db2.gz OWELLMIVEJMITI-HDICACEKSA-N 1 1 331.460 0.962 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001105678862 755936279 /nfs/dbraw/zinc/93/62/79/755936279.db2.gz RCLMAKTWIPMYON-CWRNSKLLSA-N 1 1 349.479 0.369 20 30 ECEDMO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)C(N)=O)CC1 ZINC001105680035 755978927 /nfs/dbraw/zinc/97/89/27/755978927.db2.gz QCOQTBFTKXQCCS-BHYGNILZSA-N 1 1 348.491 0.966 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C3CCCC3)CCNC2=O)[C@@H](O)C1 ZINC001083539088 756015180 /nfs/dbraw/zinc/01/51/80/756015180.db2.gz GMUKPMLOJCTGOH-JTDSTZFVSA-N 1 1 349.475 0.810 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001010399197 756084055 /nfs/dbraw/zinc/08/40/55/756084055.db2.gz CTYCWFOGHWUIGT-UONOGXRCSA-N 1 1 331.420 0.618 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001010399197 756084059 /nfs/dbraw/zinc/08/40/59/756084059.db2.gz CTYCWFOGHWUIGT-UONOGXRCSA-N 1 1 331.420 0.618 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)[C@@H]2C1 ZINC001076108577 756093786 /nfs/dbraw/zinc/09/37/86/756093786.db2.gz WTJNJEDLBHFGMF-UONOGXRCSA-N 1 1 327.388 0.215 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2N(C(=O)C#CC2CC2)CC3)C1 ZINC001014285237 762443284 /nfs/dbraw/zinc/44/32/84/762443284.db2.gz PYWGQOPKAJZRPW-TXPKVOOTSA-N 1 1 329.444 0.991 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010429840 756129098 /nfs/dbraw/zinc/12/90/98/756129098.db2.gz WQZFVLFHYVWNPB-RYUDHWBXSA-N 1 1 332.242 0.416 20 30 ECEDMO C=C(Br)CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010429840 756129105 /nfs/dbraw/zinc/12/91/05/756129105.db2.gz WQZFVLFHYVWNPB-RYUDHWBXSA-N 1 1 332.242 0.416 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010467879 756159832 /nfs/dbraw/zinc/15/98/32/756159832.db2.gz DPZSSVPJHFVRTQ-ZFWWWQNUSA-N 1 1 327.388 0.477 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010467879 756159835 /nfs/dbraw/zinc/15/98/35/756159835.db2.gz DPZSSVPJHFVRTQ-ZFWWWQNUSA-N 1 1 327.388 0.477 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@@H]1N(C(=O)[C@@H](C)C#N)CC2 ZINC001014287882 762448711 /nfs/dbraw/zinc/44/87/11/762448711.db2.gz ZEFDGMGLUYDFKX-JDFRZJQESA-N 1 1 329.404 0.991 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001076216663 756229433 /nfs/dbraw/zinc/22/94/33/756229433.db2.gz KKZSPNDKBSYHDR-QWHCGFSZSA-N 1 1 331.420 0.853 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001076216664 756229600 /nfs/dbraw/zinc/22/96/00/756229600.db2.gz KKZSPNDKBSYHDR-STQMWFEESA-N 1 1 331.420 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]c(C)n2)CC1 ZINC001010682708 756393562 /nfs/dbraw/zinc/39/35/62/756393562.db2.gz NDDFZMDNMWTCOY-HNNXBMFYSA-N 1 1 329.404 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]c(C)n2)CC1 ZINC001010682708 756393567 /nfs/dbraw/zinc/39/35/67/756393567.db2.gz NDDFZMDNMWTCOY-HNNXBMFYSA-N 1 1 329.404 0.100 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001010685763 756395097 /nfs/dbraw/zinc/39/50/97/756395097.db2.gz AQLZQDHIAAMVPT-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)c[nH]1 ZINC001010688551 756400330 /nfs/dbraw/zinc/40/03/30/756400330.db2.gz IVEZWNCNCMAVSY-AAEUAGOBSA-N 1 1 336.417 0.125 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)c[nH]1 ZINC001010688551 756400337 /nfs/dbraw/zinc/40/03/37/756400337.db2.gz IVEZWNCNCMAVSY-AAEUAGOBSA-N 1 1 336.417 0.125 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001010754757 756483409 /nfs/dbraw/zinc/48/34/09/756483409.db2.gz RCVPTTOBVPTHGW-INIZCTEOSA-N 1 1 344.390 0.866 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001010754757 756483412 /nfs/dbraw/zinc/48/34/12/756483412.db2.gz RCVPTTOBVPTHGW-INIZCTEOSA-N 1 1 344.390 0.866 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)ccn3C)C2)C1=O ZINC001010765604 756497066 /nfs/dbraw/zinc/49/70/66/756497066.db2.gz DPVYQBVBSIYMME-GJZGRUSLSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)ccn3C)C2)C1=O ZINC001010765604 756497068 /nfs/dbraw/zinc/49/70/68/756497068.db2.gz DPVYQBVBSIYMME-GJZGRUSLSA-N 1 1 330.432 0.925 20 30 ECEDMO Cn1oc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)cc1=O ZINC001010772741 756504105 /nfs/dbraw/zinc/50/41/05/756504105.db2.gz JMQTZERNABIHCQ-OAHLLOKOSA-N 1 1 325.368 0.834 20 30 ECEDMO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1=O ZINC001010772741 756504107 /nfs/dbraw/zinc/50/41/07/756504107.db2.gz JMQTZERNABIHCQ-OAHLLOKOSA-N 1 1 325.368 0.834 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)cn1 ZINC001076476993 756564179 /nfs/dbraw/zinc/56/41/79/756564179.db2.gz LHLHCVALVAQFSV-IVMMDQJWSA-N 1 1 326.400 0.344 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)cn1 ZINC001076476993 756564181 /nfs/dbraw/zinc/56/41/81/756564181.db2.gz LHLHCVALVAQFSV-IVMMDQJWSA-N 1 1 326.400 0.344 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001010869169 756618308 /nfs/dbraw/zinc/61/83/08/756618308.db2.gz LCLOTICINPDCMY-LSDHHAIUSA-N 1 1 332.448 0.939 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCN(C(=O)CCc3cnc[nH]3)CC2)c1 ZINC001010925485 756674954 /nfs/dbraw/zinc/67/49/54/756674954.db2.gz QSDCQPDUAMBWKP-UHFFFAOYSA-N 1 1 326.360 0.527 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010925769 756675221 /nfs/dbraw/zinc/67/52/21/756675221.db2.gz VXDBQEIREMOAGO-ZDUSSCGKSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990929369 756894947 /nfs/dbraw/zinc/89/49/47/756894947.db2.gz QWWOTVRASGVFDB-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)c1 ZINC001076711426 756900642 /nfs/dbraw/zinc/90/06/42/756900642.db2.gz IQMHJJYMEHSPMH-HUUCEWRRSA-N 1 1 339.355 0.029 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)c1 ZINC001076711426 756900649 /nfs/dbraw/zinc/90/06/49/756900649.db2.gz IQMHJJYMEHSPMH-HUUCEWRRSA-N 1 1 339.355 0.029 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC001011142164 757014805 /nfs/dbraw/zinc/01/48/05/757014805.db2.gz PKXYXBIHJGCGLX-HOTGVXAUSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC001011142164 757014813 /nfs/dbraw/zinc/01/48/13/757014813.db2.gz PKXYXBIHJGCGLX-HOTGVXAUSA-N 1 1 329.444 0.945 20 30 ECEDMO COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111600532 762512281 /nfs/dbraw/zinc/51/22/81/762512281.db2.gz XFYPYIMFOAAIEL-HOCLYGCPSA-N 1 1 341.477 0.877 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@H]3C2)c1 ZINC001048796355 757027706 /nfs/dbraw/zinc/02/77/06/757027706.db2.gz MQQHBLATVVFWJY-OWCLPIDISA-N 1 1 340.383 0.557 20 30 ECEDMO CO[C@H](C[NH+]1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1)C1CCC1 ZINC001107149785 757052759 /nfs/dbraw/zinc/05/27/59/757052759.db2.gz QPBPWVDEYSNLAL-MLGOLLRUSA-N 1 1 346.435 0.726 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC001048813843 757078620 /nfs/dbraw/zinc/07/86/20/757078620.db2.gz NZHLRRIYTXZWTJ-HOTGVXAUSA-N 1 1 349.475 0.408 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@H]2C1 ZINC001048818007 757093438 /nfs/dbraw/zinc/09/34/38/757093438.db2.gz DOTYNGSBPQNWEO-SOUVJXGZSA-N 1 1 341.415 0.176 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)COc3c(C)nn(C)c3C)C[C@H]2C1 ZINC001048821856 757107614 /nfs/dbraw/zinc/10/76/14/757107614.db2.gz GGXNSVCTSSIWKI-IYBDPMFKSA-N 1 1 330.432 0.829 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)n(C)n1 ZINC001076785083 757115349 /nfs/dbraw/zinc/11/53/49/757115349.db2.gz SDZGZHBVPKMYSV-NVXWUHKLSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)n(C)n1 ZINC001076785083 757115358 /nfs/dbraw/zinc/11/53/58/757115358.db2.gz SDZGZHBVPKMYSV-NVXWUHKLSA-N 1 1 339.399 0.575 20 30 ECEDMO C#CCCCC(=O)NCc1cn(C2C[NH+](CCC[C@H](C)O)C2)nn1 ZINC001107164591 757166116 /nfs/dbraw/zinc/16/61/16/757166116.db2.gz FMUAIPXZIJMLMO-AWEZNQCLSA-N 1 1 333.436 0.716 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@H]2C1 ZINC001048847466 757167010 /nfs/dbraw/zinc/16/70/10/757167010.db2.gz FSSUPAPJJXCXRE-YESZJQIVSA-N 1 1 349.475 0.838 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001011206693 757187934 /nfs/dbraw/zinc/18/79/34/757187934.db2.gz YRPQYWQXHWYMHE-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCCCCC(=O)NCc1cn(C2C[NH+](CCCOC)C2)nn1 ZINC001107162740 757194139 /nfs/dbraw/zinc/19/41/39/757194139.db2.gz RCILZTNKPHJOPF-UHFFFAOYSA-N 1 1 333.436 0.981 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@H]2C1 ZINC001048856503 757195275 /nfs/dbraw/zinc/19/52/75/757195275.db2.gz YDQGEHUNMUQUST-TXEJJXNPSA-N 1 1 327.388 0.864 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@H]2C1 ZINC001048860701 757207854 /nfs/dbraw/zinc/20/78/54/757207854.db2.gz BEWKAMGOSVHWAV-IXDOHACOSA-N 1 1 329.448 0.227 20 30 ECEDMO CCOCCC[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107171234 757217292 /nfs/dbraw/zinc/21/72/92/757217292.db2.gz OZRJEBCIAVKSKQ-UHFFFAOYSA-N 1 1 331.420 0.591 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)c1 ZINC000996275896 757220964 /nfs/dbraw/zinc/22/09/64/757220964.db2.gz UEHRDGXJZOTYCI-CQSZACIVSA-N 1 1 339.403 0.227 20 30 ECEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001048866453 757228192 /nfs/dbraw/zinc/22/81/92/757228192.db2.gz QIXRLYBVOSDCOX-GJZGRUSLSA-N 1 1 348.447 0.824 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CN3CCCS3(=O)=O)CCC[C@H]12 ZINC000990996798 757283998 /nfs/dbraw/zinc/28/39/98/757283998.db2.gz LWHUJFURFYQZEI-GOEBONIOSA-N 1 1 341.477 0.711 20 30 ECEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048894048 757319989 /nfs/dbraw/zinc/31/99/89/757319989.db2.gz SYQWAKMNBPLWNF-ULQDDVLXSA-N 1 1 349.475 0.737 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCCn3ccnn3)nn2)C1 ZINC001107178182 757331528 /nfs/dbraw/zinc/33/15/28/757331528.db2.gz LJJHMWRYCACNBX-UHFFFAOYSA-N 1 1 344.423 0.399 20 30 ECEDMO C=C(Cl)CN1CC(n2cc(CNC(=O)CCc3cnc[nH]3)nn2)C1 ZINC001107178243 757333666 /nfs/dbraw/zinc/33/36/66/757333666.db2.gz OBWCCICOXFQGQN-UHFFFAOYSA-N 1 1 349.826 0.859 20 30 ECEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001048912665 757380042 /nfs/dbraw/zinc/38/00/42/757380042.db2.gz KSOAIUBGECEEAR-GJZGRUSLSA-N 1 1 348.447 0.824 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000996328801 757384119 /nfs/dbraw/zinc/38/41/19/757384119.db2.gz CUJPEETWJHUHNU-ILXRZTDVSA-N 1 1 333.436 0.733 20 30 ECEDMO C=CCCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)nn1 ZINC001021404310 757398148 /nfs/dbraw/zinc/39/81/48/757398148.db2.gz ZMSYANABWYEESN-GOOCMWNKSA-N 1 1 333.436 0.962 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cnc4sccn4c3=O)C[C@H]2C1 ZINC001048923875 757425279 /nfs/dbraw/zinc/42/52/79/757425279.db2.gz IFGNKOKRYOQYTQ-BETUJISGSA-N 1 1 342.424 0.783 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001011295278 757438126 /nfs/dbraw/zinc/43/81/26/757438126.db2.gz YYRUFIKFRXZGCU-KBPBESRZSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001011295278 757438131 /nfs/dbraw/zinc/43/81/31/757438131.db2.gz YYRUFIKFRXZGCU-KBPBESRZSA-N 1 1 339.386 0.800 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)c1 ZINC001076884419 757457110 /nfs/dbraw/zinc/45/71/10/757457110.db2.gz UBZDTYDCLZLDAP-BZUAXINKSA-N 1 1 343.383 0.173 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)c1 ZINC001076884419 757457121 /nfs/dbraw/zinc/45/71/21/757457121.db2.gz UBZDTYDCLZLDAP-BZUAXINKSA-N 1 1 343.383 0.173 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@H]2C1 ZINC001048952369 757499298 /nfs/dbraw/zinc/49/92/98/757499298.db2.gz JSSYINVPFLDWQS-LZWOXQAQSA-N 1 1 343.431 0.722 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]2C1 ZINC001048958056 757513134 /nfs/dbraw/zinc/51/31/34/757513134.db2.gz NXPJCHPXSSSJIO-BETUJISGSA-N 1 1 339.827 0.115 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nncs3)C(C)(C)C2)nn1 ZINC000996391539 757527238 /nfs/dbraw/zinc/52/72/38/757527238.db2.gz YUTFPRVDFJRRMY-LBPRGKRZSA-N 1 1 347.448 0.956 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cnon3)C(C)(C)C2)nn1 ZINC000996397398 757543424 /nfs/dbraw/zinc/54/34/24/757543424.db2.gz AXXPUVJYMCMUAE-AWEZNQCLSA-N 1 1 345.407 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H](O)C(C)C)[C@@H]2C1 ZINC001021531943 757554638 /nfs/dbraw/zinc/55/46/38/757554638.db2.gz KLICQLOQNSWFFJ-MWDXBVQZSA-N 1 1 347.459 0.160 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H](O)C(C)C)[C@@H]2C1 ZINC001021531943 757554640 /nfs/dbraw/zinc/55/46/40/757554640.db2.gz KLICQLOQNSWFFJ-MWDXBVQZSA-N 1 1 347.459 0.160 20 30 ECEDMO CC#CCCCC(=O)NCc1cn(C2C[NH+](C[C@@H](C)OC)C2)nn1 ZINC001107198031 757558256 /nfs/dbraw/zinc/55/82/56/757558256.db2.gz POHPEIKXNDDHSW-CQSZACIVSA-N 1 1 333.436 0.980 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001048973090 757559791 /nfs/dbraw/zinc/55/97/91/757559791.db2.gz KSEOWPYPTRTAIJ-GJZGRUSLSA-N 1 1 337.464 0.406 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001011403964 757636870 /nfs/dbraw/zinc/63/68/70/757636870.db2.gz CHLGCZYRKNIMRV-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC001011405554 757642707 /nfs/dbraw/zinc/64/27/07/757642707.db2.gz QFORXIFVZRRJOS-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001021586899 757646978 /nfs/dbraw/zinc/64/69/78/757646978.db2.gz FYLXCVZPLQVBED-HUUCEWRRSA-N 1 1 345.443 0.718 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001021591478 757655839 /nfs/dbraw/zinc/65/58/39/757655839.db2.gz UHOQEIMTMUHTSB-BHYGNILZSA-N 1 1 329.444 0.943 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@H]3C2)c1 ZINC001049012376 757691723 /nfs/dbraw/zinc/69/17/23/757691723.db2.gz AROAMLMDBYKNQO-IYBDPMFKSA-N 1 1 349.394 0.846 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021623158 757701889 /nfs/dbraw/zinc/70/18/89/757701889.db2.gz NKTTYOVRIOWKMH-HUUCEWRRSA-N 1 1 346.431 0.838 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)c(F)c1 ZINC001021661554 757753734 /nfs/dbraw/zinc/75/37/34/757753734.db2.gz PGXQYPNTTURSFZ-ZBFHGGJFSA-N 1 1 344.390 0.996 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001021688152 757784662 /nfs/dbraw/zinc/78/46/62/757784662.db2.gz LPDKBGHQRZPCHB-CABCVRRESA-N 1 1 348.447 0.817 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021693020 757794350 /nfs/dbraw/zinc/79/43/50/757794350.db2.gz XEGRZGDCVBVBKP-HIFRSBDPSA-N 1 1 331.416 0.375 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(C)nn3)C2)nn1 ZINC001098667425 757796264 /nfs/dbraw/zinc/79/62/64/757796264.db2.gz ZNFDIMUBEJJYIP-CYBMUJFWSA-N 1 1 330.396 0.160 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001049061253 757838779 /nfs/dbraw/zinc/83/87/79/757838779.db2.gz SBEKTIXLBDMDLO-TWMKSMIVSA-N 1 1 338.411 0.570 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001076997944 757867993 /nfs/dbraw/zinc/86/79/93/757867993.db2.gz NJFPDXJFPPFDSP-HZPDHXFCSA-N 1 1 334.420 0.586 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001076997944 757868002 /nfs/dbraw/zinc/86/80/02/757868002.db2.gz NJFPDXJFPPFDSP-HZPDHXFCSA-N 1 1 334.420 0.586 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3ncnn3C)C(C)(C)C2)nc1 ZINC000996528946 757897736 /nfs/dbraw/zinc/89/77/36/757897736.db2.gz PZADVJSJLRFQMM-HNNXBMFYSA-N 1 1 338.415 0.832 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001021756526 757905592 /nfs/dbraw/zinc/90/55/92/757905592.db2.gz HXTYKHSMHUGTDC-ZBFHGGJFSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)CN3C(=O)Cc4ccccc43)C[C@H]2C1 ZINC001049080321 757907911 /nfs/dbraw/zinc/90/79/11/757907911.db2.gz MDQVIDRAUJYNFS-CALCHBBNSA-N 1 1 337.423 0.989 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)cn1 ZINC000996535925 757916197 /nfs/dbraw/zinc/91/61/97/757916197.db2.gz LAYHHCGBIHUFTQ-AWEZNQCLSA-N 1 1 339.403 0.227 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)NC(=O)c1ccc(C#N)[nH]1 ZINC001077019983 757952931 /nfs/dbraw/zinc/95/29/31/757952931.db2.gz KPUZRICLRWKOAY-LBPRGKRZSA-N 1 1 331.420 0.995 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@H]2C1 ZINC001049113951 757998685 /nfs/dbraw/zinc/99/86/85/757998685.db2.gz VWLSDRGCLOPCMM-LZWOXQAQSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3nc4ncccn4n3)C[C@H]2C1 ZINC001049123999 758038243 /nfs/dbraw/zinc/03/82/43/758038243.db2.gz QQXCGKMNNPCIRR-TXEJJXNPSA-N 1 1 332.795 0.881 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3nc4ncccn4n3)C[C@H]2C1 ZINC001049123999 758038258 /nfs/dbraw/zinc/03/82/58/758038258.db2.gz QQXCGKMNNPCIRR-TXEJJXNPSA-N 1 1 332.795 0.881 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001077058334 758054682 /nfs/dbraw/zinc/05/46/82/758054682.db2.gz FWSYCYSJSKOMSU-ZIAGYGMSSA-N 1 1 331.376 0.426 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001077066933 758080608 /nfs/dbraw/zinc/08/06/08/758080608.db2.gz FQEMZXYJFPLQDX-HUUCEWRRSA-N 1 1 328.372 0.274 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001077066933 758080615 /nfs/dbraw/zinc/08/06/15/758080615.db2.gz FQEMZXYJFPLQDX-HUUCEWRRSA-N 1 1 328.372 0.274 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001077067110 758081113 /nfs/dbraw/zinc/08/11/13/758081113.db2.gz MHMLARDQARPMAP-RBSFLKMASA-N 1 1 330.384 0.401 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001077067110 758081122 /nfs/dbraw/zinc/08/11/22/758081122.db2.gz MHMLARDQARPMAP-RBSFLKMASA-N 1 1 330.384 0.401 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cc[n+]([O-])cc3)CCC[C@@H]12 ZINC001107264719 758101610 /nfs/dbraw/zinc/10/16/10/758101610.db2.gz GRCVLTXEFXJVPQ-IEBWSBKVSA-N 1 1 343.427 0.944 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001077084249 758118941 /nfs/dbraw/zinc/11/89/41/758118941.db2.gz NYPROSYFVZIAKV-NUEKZKHPSA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001077084249 758118947 /nfs/dbraw/zinc/11/89/47/758118947.db2.gz NYPROSYFVZIAKV-NUEKZKHPSA-N 1 1 335.448 0.208 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@@H](C[NH2+]Cc2nonc2C)C1 ZINC001051654522 762602697 /nfs/dbraw/zinc/60/26/97/762602697.db2.gz OWYYQWCVLVUUGZ-AWEZNQCLSA-N 1 1 345.403 0.996 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3COCCO3)CCC[C@@H]12 ZINC001107283794 758189740 /nfs/dbraw/zinc/18/97/40/758189740.db2.gz LWLXAXQNHWKHGR-LZLYRXPVSA-N 1 1 338.448 0.965 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)n4)C[C@@H]3C2)cn1 ZINC001049177694 758232494 /nfs/dbraw/zinc/23/24/94/758232494.db2.gz IPZXRNUUQSCIBZ-GASCZTMLSA-N 1 1 336.399 0.395 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)n4)C[C@@H]3C2)cn1 ZINC001049177694 758232498 /nfs/dbraw/zinc/23/24/98/758232498.db2.gz IPZXRNUUQSCIBZ-GASCZTMLSA-N 1 1 336.399 0.395 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCOCC1 ZINC001077123729 758249983 /nfs/dbraw/zinc/24/99/83/758249983.db2.gz ANRBNBVSGLBVQE-BBWFWOEESA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCOCC1 ZINC001077123729 758249991 /nfs/dbraw/zinc/24/99/91/758249991.db2.gz ANRBNBVSGLBVQE-BBWFWOEESA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ncoc1C ZINC001077123791 758250139 /nfs/dbraw/zinc/25/01/39/758250139.db2.gz CVBQQPMHOZOBEJ-JSGCOSHPSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ncoc1C ZINC001077123791 758250143 /nfs/dbraw/zinc/25/01/43/758250143.db2.gz CVBQQPMHOZOBEJ-JSGCOSHPSA-N 1 1 332.404 0.705 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001011670147 758261350 /nfs/dbraw/zinc/26/13/50/758261350.db2.gz YSODMAIIRWGHIW-WFASDCNBSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077133000 758269598 /nfs/dbraw/zinc/26/95/98/758269598.db2.gz DYLPGCRTMXPCBE-GDBMZVCRSA-N 1 1 346.431 0.071 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077133000 758269609 /nfs/dbraw/zinc/26/96/09/758269609.db2.gz DYLPGCRTMXPCBE-GDBMZVCRSA-N 1 1 346.431 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001077124420 758284742 /nfs/dbraw/zinc/28/47/42/758284742.db2.gz VLDVGZMPMFOMRU-BBRMVZONSA-N 1 1 341.415 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001077124420 758284748 /nfs/dbraw/zinc/28/47/48/758284748.db2.gz VLDVGZMPMFOMRU-BBRMVZONSA-N 1 1 341.415 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccccn1 ZINC001077124404 758285271 /nfs/dbraw/zinc/28/52/71/758285271.db2.gz VCXBBCKFJDOXMN-HOCLYGCPSA-N 1 1 328.416 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccccn1 ZINC001077124404 758285279 /nfs/dbraw/zinc/28/52/79/758285279.db2.gz VCXBBCKFJDOXMN-HOCLYGCPSA-N 1 1 328.416 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cn(C)nc1C ZINC001077124544 758285432 /nfs/dbraw/zinc/28/54/32/758285432.db2.gz XISMCSVUJTWLQL-BBRMVZONSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cn(C)nc1C ZINC001077124544 758285443 /nfs/dbraw/zinc/28/54/43/758285443.db2.gz XISMCSVUJTWLQL-BBRMVZONSA-N 1 1 345.447 0.451 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)s1 ZINC001049202287 758290944 /nfs/dbraw/zinc/29/09/44/758290944.db2.gz HDEQMJUVXGGANN-BETUJISGSA-N 1 1 342.428 0.802 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cn(CC)nn1 ZINC001077125469 758292567 /nfs/dbraw/zinc/29/25/67/758292567.db2.gz VQXUZTLIHITHLM-ZFWWWQNUSA-N 1 1 346.435 0.020 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cn(CC)nn1 ZINC001077125469 758292576 /nfs/dbraw/zinc/29/25/76/758292576.db2.gz VQXUZTLIHITHLM-ZFWWWQNUSA-N 1 1 346.435 0.020 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1C(=O)CNC1=O)CC2 ZINC001107335714 758318940 /nfs/dbraw/zinc/31/89/40/758318940.db2.gz CEFKAODCKWUNJX-OGHNNQOOSA-N 1 1 347.419 0.059 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)C#CC(C)(C)C ZINC001077146274 758322803 /nfs/dbraw/zinc/32/28/03/758322803.db2.gz MQQNJMUWVBASGZ-RRFJBIMHSA-N 1 1 337.464 0.766 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)C#CC(C)(C)C ZINC001077146274 758322812 /nfs/dbraw/zinc/32/28/12/758322812.db2.gz MQQNJMUWVBASGZ-RRFJBIMHSA-N 1 1 337.464 0.766 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N3CCOCC3)C[C@H]2C1 ZINC001049226688 758381301 /nfs/dbraw/zinc/38/13/01/758381301.db2.gz QDINDKWNDBITSG-KSZLIROESA-N 1 1 331.460 0.511 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001077164281 758393479 /nfs/dbraw/zinc/39/34/79/758393479.db2.gz KSWQOBPLYXUVII-DZJNRPSUSA-N 1 1 328.412 0.983 20 30 ECEDMO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001077164281 758393489 /nfs/dbraw/zinc/39/34/89/758393489.db2.gz KSWQOBPLYXUVII-DZJNRPSUSA-N 1 1 328.412 0.983 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nncn4C3)C[C@H]2C1 ZINC001049232795 758395704 /nfs/dbraw/zinc/39/57/04/758395704.db2.gz ZZHGKYAZYVRBOJ-MELADBBJSA-N 1 1 335.839 0.983 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)COC)C[C@@H]3C2)CC1 ZINC001049235945 758405178 /nfs/dbraw/zinc/40/51/78/758405178.db2.gz ZIROSDTYLQZSAU-NXHRZFHOSA-N 1 1 333.476 0.757 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)COC)C[C@@H]3C2)CC1 ZINC001049235945 758405184 /nfs/dbraw/zinc/40/51/84/758405184.db2.gz ZIROSDTYLQZSAU-NXHRZFHOSA-N 1 1 333.476 0.757 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@](C)(O)C=C)CCC[C@@H]12 ZINC001107378745 758408695 /nfs/dbraw/zinc/40/86/95/758408695.db2.gz KLCMTBOHRGTTOZ-ATZDWAIDSA-N 1 1 347.459 0.424 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ncc[nH]3)CCC[C@@H]12 ZINC001107389793 758416472 /nfs/dbraw/zinc/41/64/72/758416472.db2.gz FZNVBXHOLBJGMD-CXAGYDPISA-N 1 1 329.404 0.134 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3nnc(C)o3)CCC[C@@H]12 ZINC001107392695 758446917 /nfs/dbraw/zinc/44/69/17/758446917.db2.gz QKYJIVXPOCQOGG-CRAIPNDOSA-N 1 1 346.431 0.931 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(C)C)CC2 ZINC001107401940 758472039 /nfs/dbraw/zinc/47/20/39/758472039.db2.gz GZLVWMCNJGRRFW-HDMKZQKVSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cn(C)nn1)CC2 ZINC001107404706 758482318 /nfs/dbraw/zinc/48/23/18/758482318.db2.gz JOKVWUFLUSXSBA-SJLPKXTDSA-N 1 1 345.447 0.716 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cn(C)nn1)CC2 ZINC001107404706 758482327 /nfs/dbraw/zinc/48/23/27/758482327.db2.gz JOKVWUFLUSXSBA-SJLPKXTDSA-N 1 1 345.447 0.716 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)N(C)C3)CCC[C@@H]12 ZINC001107425702 758534065 /nfs/dbraw/zinc/53/40/65/758534065.db2.gz LBAZNMBGHKSPNH-GPMSIDNRSA-N 1 1 347.459 0.475 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(c4ccc(C#N)nn4)C[C@H]3C2)C1 ZINC001049384306 758607195 /nfs/dbraw/zinc/60/71/95/758607195.db2.gz NCMAXUKDRREOBZ-ILXRZTDVSA-N 1 1 340.431 0.585 20 30 ECEDMO N#Cc1ccc(F)c(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC001127779619 758626773 /nfs/dbraw/zinc/62/67/73/758626773.db2.gz OZBCAXFMNNDFOI-WBVHZDCISA-N 1 1 346.406 0.766 20 30 ECEDMO N#Cc1ccc(F)c(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC001127779619 758626778 /nfs/dbraw/zinc/62/67/78/758626778.db2.gz OZBCAXFMNNDFOI-WBVHZDCISA-N 1 1 346.406 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)nc1 ZINC001011804647 758627411 /nfs/dbraw/zinc/62/74/11/758627411.db2.gz JQJALRIIQOVEQJ-ZBFHGGJFSA-N 1 1 340.427 0.545 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)N1CCOCC1 ZINC001049468932 758766130 /nfs/dbraw/zinc/76/61/30/758766130.db2.gz YRYUXLRTAPXCLN-SJORKVTESA-N 1 1 345.443 0.324 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)N1CCOCC1 ZINC001049468932 758766143 /nfs/dbraw/zinc/76/61/43/758766143.db2.gz YRYUXLRTAPXCLN-SJORKVTESA-N 1 1 345.443 0.324 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001077308636 758767226 /nfs/dbraw/zinc/76/72/26/758767226.db2.gz DSRYYRSGRQQYRD-CHWSQXEVSA-N 1 1 326.828 0.662 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(OC)cccc2OC)C1 ZINC001077317275 758780775 /nfs/dbraw/zinc/78/07/75/758780775.db2.gz JBIZAAWAPMSIRS-HUUCEWRRSA-N 1 1 332.400 0.431 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083573449 758835409 /nfs/dbraw/zinc/83/54/09/758835409.db2.gz JHDKHGLGAYUFAN-SQNIBIBYSA-N 1 1 342.443 0.704 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](Cn1cccn1)N(C)C ZINC001049517919 758845104 /nfs/dbraw/zinc/84/51/04/758845104.db2.gz NMADOLWZYORTAE-BBWFWOEESA-N 1 1 329.448 0.512 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049551108 758912285 /nfs/dbraw/zinc/91/22/85/758912285.db2.gz DVTBNYXRIUDJIG-SJORKVTESA-N 1 1 340.427 0.812 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC001011905569 758915227 /nfs/dbraw/zinc/91/52/27/758915227.db2.gz VGYOWHILSXNEPD-JSGCOSHPSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCN1C(=O)CCC1=O ZINC001049579169 758956959 /nfs/dbraw/zinc/95/69/59/758956959.db2.gz DORKKABAAIRIKZ-CABCVRRESA-N 1 1 331.416 0.614 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ccc(F)cc3O2)C1 ZINC001077388001 758961231 /nfs/dbraw/zinc/96/12/31/758961231.db2.gz IIWCPGSBBHDLNE-BZUAXINKSA-N 1 1 332.375 0.704 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001049628998 759013093 /nfs/dbraw/zinc/01/30/93/759013093.db2.gz IQEIAJJMENYYNF-STQMWFEESA-N 1 1 342.407 0.559 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)[C@@H](O)C1 ZINC001083582668 759086524 /nfs/dbraw/zinc/08/65/24/759086524.db2.gz ZNZJHTUAHHCPFZ-CVEARBPZSA-N 1 1 325.372 0.270 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cnnn1C ZINC001049741833 759155720 /nfs/dbraw/zinc/15/57/20/759155720.db2.gz QTMCQFWYGHNKEH-NCOADZHNSA-N 1 1 345.447 0.972 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cnnn1C ZINC001049741833 759155723 /nfs/dbraw/zinc/15/57/23/759155723.db2.gz QTMCQFWYGHNKEH-NCOADZHNSA-N 1 1 345.447 0.972 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)sn2)C1 ZINC000991065221 759156285 /nfs/dbraw/zinc/15/62/85/759156285.db2.gz WHHLWRYLWHDCIF-AWEZNQCLSA-N 1 1 332.429 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)sn2)C1 ZINC000991065221 759156290 /nfs/dbraw/zinc/15/62/90/759156290.db2.gz WHHLWRYLWHDCIF-AWEZNQCLSA-N 1 1 332.429 0.490 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001049780489 759196365 /nfs/dbraw/zinc/19/63/65/759196365.db2.gz HFJQOKCQMCTDMC-BFHYXJOUSA-N 1 1 327.450 0.272 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(n2cnnn2)CCOCC1 ZINC001049780779 759197559 /nfs/dbraw/zinc/19/75/59/759197559.db2.gz JJOTZTYGUVXGKB-CABCVRRESA-N 1 1 346.435 0.430 20 30 ECEDMO N#Cc1ccccc1CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030346849 762698958 /nfs/dbraw/zinc/69/89/58/762698958.db2.gz GBJYMZCUANRGET-ROUUACIJSA-N 1 1 340.427 0.722 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001049839777 759279346 /nfs/dbraw/zinc/27/93/46/759279346.db2.gz JYGUVIFNRXTEGV-KBRIMQKVSA-N 1 1 327.432 0.998 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)NC)nc1 ZINC001049853175 759304830 /nfs/dbraw/zinc/30/48/30/759304830.db2.gz ABUQQXDXZHAANG-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)NC)nc1 ZINC001049853175 759304839 /nfs/dbraw/zinc/30/48/39/759304839.db2.gz ABUQQXDXZHAANG-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C(=O)NC)n1 ZINC001049875352 759331427 /nfs/dbraw/zinc/33/14/27/759331427.db2.gz IWCAKSYGQHEQBN-HZPDHXFCSA-N 1 1 326.400 0.753 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049885756 759347147 /nfs/dbraw/zinc/34/71/47/759347147.db2.gz OIVLRTDSPLRDER-UONOGXRCSA-N 1 1 332.404 0.741 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001049887241 759351824 /nfs/dbraw/zinc/35/18/24/759351824.db2.gz VWLWMUNHIKGKGP-MELADBBJSA-N 1 1 334.420 0.616 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+][C@@H](C)C(=O)NC)[C@H](C)C2)CC1 ZINC001107034108 759369515 /nfs/dbraw/zinc/36/95/15/759369515.db2.gz JOWIBKWZMMUKAD-HLLBOEOZSA-N 1 1 348.491 0.150 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1COCCN1C(C)=O ZINC001049905997 759388124 /nfs/dbraw/zinc/38/81/24/759388124.db2.gz CBDWRFLIOFJOAQ-GVDBMIGSSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001047642766 759388915 /nfs/dbraw/zinc/38/89/15/759388915.db2.gz ABNNBBRSSSPCSW-GJZGRUSLSA-N 1 1 330.388 0.188 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001047642766 759388924 /nfs/dbraw/zinc/38/89/24/759388924.db2.gz ABNNBBRSSSPCSW-GJZGRUSLSA-N 1 1 330.388 0.188 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 ZINC001049916813 759399837 /nfs/dbraw/zinc/39/98/37/759399837.db2.gz FTRIHZZASVXXBK-LSDHHAIUSA-N 1 1 346.435 0.409 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cccn(C)c2=O)C1 ZINC001089890260 759401902 /nfs/dbraw/zinc/40/19/02/759401902.db2.gz QZRWKCDFVXVRPP-HJWJTTGWSA-N 1 1 325.412 0.801 20 30 ECEDMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047780868 759518582 /nfs/dbraw/zinc/51/85/82/759518582.db2.gz PIFOMNXEHRQYTK-CMPLNLGQSA-N 1 1 328.380 0.050 20 30 ECEDMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047793192 759529040 /nfs/dbraw/zinc/52/90/40/759529040.db2.gz GUPWWACQCXCVMF-QWRGUYRKSA-N 1 1 328.380 0.050 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1=CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001017342711 767869101 /nfs/dbraw/zinc/86/91/01/767869101.db2.gz ASTCERFJIUJDIO-MRXNPFEDSA-N 1 1 341.415 0.869 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)[nH]1 ZINC001050024067 759563485 /nfs/dbraw/zinc/56/34/85/759563485.db2.gz BELWPFGNTOSESM-APHBMKBZSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)[nH]1 ZINC001050025130 759564714 /nfs/dbraw/zinc/56/47/14/759564714.db2.gz PQIXIZOGHCNING-BLLLJJGKSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)[nH]1 ZINC001050025130 759564720 /nfs/dbraw/zinc/56/47/20/759564720.db2.gz PQIXIZOGHCNING-BLLLJJGKSA-N 1 1 341.415 0.701 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001050025871 759566114 /nfs/dbraw/zinc/56/61/14/759566114.db2.gz ITLGENHMCRBPSC-SLEUVZQESA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993004408 767874667 /nfs/dbraw/zinc/87/46/67/767874667.db2.gz BKCKNLWERJBMFJ-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993004408 767874673 /nfs/dbraw/zinc/87/46/73/767874673.db2.gz BKCKNLWERJBMFJ-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC001050075353 759660622 /nfs/dbraw/zinc/66/06/22/759660622.db2.gz CULHRSCRSBZTLJ-DZGCQCFKSA-N 1 1 338.473 0.920 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC001050075353 759660627 /nfs/dbraw/zinc/66/06/27/759660627.db2.gz CULHRSCRSBZTLJ-DZGCQCFKSA-N 1 1 338.473 0.920 20 30 ECEDMO Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c(C#N)cn1 ZINC001125110500 759699819 /nfs/dbraw/zinc/69/98/19/759699819.db2.gz HEPMUPULRQADOC-ZBFHGGJFSA-N 1 1 345.447 0.469 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nncn4CC3)[C@@H]2C1 ZINC001050099633 759700817 /nfs/dbraw/zinc/70/08/17/759700817.db2.gz HULGHBOVLWQKLR-HRCADAONSA-N 1 1 327.432 0.787 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1cccc(F)c1C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125111118 759710076 /nfs/dbraw/zinc/71/00/76/759710076.db2.gz SALONKSJKAWEMH-KGLIPLIRSA-N 1 1 348.422 0.905 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050105581 759714600 /nfs/dbraw/zinc/71/46/00/759714600.db2.gz XUIGDZVVBVWZLR-UONOGXRCSA-N 1 1 340.493 0.937 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)c1 ZINC001050135782 759779566 /nfs/dbraw/zinc/77/95/66/759779566.db2.gz OADZHABUJIBTIS-JLJPHGGASA-N 1 1 340.427 0.734 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3nnnc3C(C)C)[C@@H]2C1 ZINC001050160268 759826603 /nfs/dbraw/zinc/82/66/03/759826603.db2.gz WIJJGQQYFLKATM-LSDHHAIUSA-N 1 1 330.436 0.743 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001050163956 759836816 /nfs/dbraw/zinc/83/68/16/759836816.db2.gz UQRBZZVXKFZISV-RRFJBIMHSA-N 1 1 341.477 0.519 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH]c(=O)c3=O)[C@@H]2C1 ZINC001050164915 759839500 /nfs/dbraw/zinc/83/95/00/759839500.db2.gz OYBIQJDMGXRMIF-LSDHHAIUSA-N 1 1 346.431 0.426 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cnccc3=O)[C@@H]2C1 ZINC001050174379 759866953 /nfs/dbraw/zinc/86/69/53/759866953.db2.gz UUVLLAIWLBWXSQ-JKSUJKDBSA-N 1 1 328.416 0.580 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(F)F)C2 ZINC000995615995 759885839 /nfs/dbraw/zinc/88/58/39/759885839.db2.gz YLLNDIISXJRNKL-RFGFWPKPSA-N 1 1 339.386 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(F)F)C2 ZINC000995615995 759885849 /nfs/dbraw/zinc/88/58/49/759885849.db2.gz YLLNDIISXJRNKL-RFGFWPKPSA-N 1 1 339.386 0.987 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C(=O)NC)nc3)[C@@H]2C1 ZINC001050184333 759894652 /nfs/dbraw/zinc/89/46/52/759894652.db2.gz YZUBVTKUGYVCGN-GOEBONIOSA-N 1 1 326.400 0.611 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)cn1 ZINC001050186946 759899933 /nfs/dbraw/zinc/89/99/33/759899933.db2.gz XKIBNTLKJRNADR-DUVNUKRYSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)cn1 ZINC001050186946 759899944 /nfs/dbraw/zinc/89/99/44/759899944.db2.gz XKIBNTLKJRNADR-DUVNUKRYSA-N 1 1 326.400 0.473 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001050193039 759909840 /nfs/dbraw/zinc/90/98/40/759909840.db2.gz ZZAQTOBLPLRYLA-GVDBMIGSSA-N 1 1 333.432 0.180 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C ZINC000945316306 760069506 /nfs/dbraw/zinc/06/95/06/760069506.db2.gz JLZYBOWNTCOPHZ-XJKSGUPXSA-N 1 1 328.416 0.958 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001048277923 760206236 /nfs/dbraw/zinc/20/62/36/760206236.db2.gz RGSFMCJZCOUTEY-UONOGXRCSA-N 1 1 343.435 0.696 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCN1c1ccc(C#N)nn1 ZINC001050490963 760353199 /nfs/dbraw/zinc/35/31/99/760353199.db2.gz GIBYYQCVLASUQO-XUWXXGDYSA-N 1 1 340.431 0.918 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)on2)C1=O ZINC001032268939 760443693 /nfs/dbraw/zinc/44/36/93/760443693.db2.gz QLUIXXGTCRDISJ-KCQAQPDRSA-N 1 1 330.388 0.669 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)on2)C1=O ZINC001032268939 760443700 /nfs/dbraw/zinc/44/37/00/760443700.db2.gz QLUIXXGTCRDISJ-KCQAQPDRSA-N 1 1 330.388 0.669 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)noc2CC)C1 ZINC000991373438 760553106 /nfs/dbraw/zinc/55/31/06/760553106.db2.gz PLVIRNKULNBEJX-AWEZNQCLSA-N 1 1 344.415 0.584 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)noc2CC)C1 ZINC000991373438 760553112 /nfs/dbraw/zinc/55/31/12/760553112.db2.gz PLVIRNKULNBEJX-AWEZNQCLSA-N 1 1 344.415 0.584 20 30 ECEDMO CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1ncnn1CCF ZINC000995800282 760625128 /nfs/dbraw/zinc/62/51/28/760625128.db2.gz XKKZVSVTQQFWFQ-AWEZNQCLSA-N 1 1 333.411 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001048532788 760671638 /nfs/dbraw/zinc/67/16/38/760671638.db2.gz GQSALUDANCBOOB-UUAJXVIYSA-N 1 1 346.475 0.317 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC000995816268 760683082 /nfs/dbraw/zinc/68/30/82/760683082.db2.gz WHJBABFFSBZAOP-RDBSUJKOSA-N 1 1 348.451 0.518 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001050729928 760744982 /nfs/dbraw/zinc/74/49/82/760744982.db2.gz UJNLIAGVIZLNJY-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001050729931 760745098 /nfs/dbraw/zinc/74/50/98/760745098.db2.gz UJNLIAGVIZLNJY-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001048590291 760766244 /nfs/dbraw/zinc/76/62/44/760766244.db2.gz UNIYQXWBJZYNLC-XMTFNYHQSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2noc3c2CC(C)(C)CC3)[C@@H](O)C1 ZINC001083665380 760799974 /nfs/dbraw/zinc/79/99/74/760799974.db2.gz CKLFFCKJEOEAOF-KGLIPLIRSA-N 1 1 331.416 0.988 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2noc3c2CC(C)(C)CC3)[C@@H](O)C1 ZINC001083665380 760799979 /nfs/dbraw/zinc/79/99/79/760799979.db2.gz CKLFFCKJEOEAOF-KGLIPLIRSA-N 1 1 331.416 0.988 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001050772645 760820003 /nfs/dbraw/zinc/82/00/03/760820003.db2.gz NLBFYTKFJFSCNO-DZGCQCFKSA-N 1 1 334.420 0.747 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)[C@@H](O)C1 ZINC001083671292 760919672 /nfs/dbraw/zinc/91/96/72/760919672.db2.gz ISLXRYPTBMXEMB-MJBXVCDLSA-N 1 1 330.450 0.081 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)[C@@H](O)C1 ZINC001083671292 760919677 /nfs/dbraw/zinc/91/96/77/760919677.db2.gz ISLXRYPTBMXEMB-MJBXVCDLSA-N 1 1 330.450 0.081 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cncc(-n3ccnn3)c2)[C@@H](O)C1 ZINC001083671343 760920899 /nfs/dbraw/zinc/92/08/99/760920899.db2.gz JYZBGSWBNWQQLN-CABCVRRESA-N 1 1 328.376 0.013 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 ZINC001048694409 760955230 /nfs/dbraw/zinc/95/52/30/760955230.db2.gz NDDBGMIPFZLNDF-XQQFMLRXSA-N 1 1 345.237 0.701 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 ZINC001048694409 760955239 /nfs/dbraw/zinc/95/52/39/760955239.db2.gz NDDBGMIPFZLNDF-XQQFMLRXSA-N 1 1 345.237 0.701 20 30 ECEDMO C=C(Br)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001050839823 760971203 /nfs/dbraw/zinc/97/12/03/760971203.db2.gz YWTWELZLLSCVJO-STQMWFEESA-N 1 1 346.269 0.806 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(CC4CC4)nn3)C[C@@H]2C1 ZINC001048727491 761053170 /nfs/dbraw/zinc/05/31/70/761053170.db2.gz LCZQSPILRRTDFF-AEGPPILISA-N 1 1 328.420 0.738 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3cn(CC4CC4)nn3)C[C@@H]2C1 ZINC001048727491 761053175 /nfs/dbraw/zinc/05/31/75/761053175.db2.gz LCZQSPILRRTDFF-AEGPPILISA-N 1 1 328.420 0.738 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C[C@@H]4CCOC4)C[C@H]3C2)C1=O ZINC001048736535 761076825 /nfs/dbraw/zinc/07/68/25/761076825.db2.gz MFRTZCBYLULQPP-MWDXBVQZSA-N 1 1 347.459 0.590 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001048740433 761095263 /nfs/dbraw/zinc/09/52/63/761095263.db2.gz CIZNVHVLGOEMPG-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1O ZINC001048757446 761121579 /nfs/dbraw/zinc/12/15/79/761121579.db2.gz DVRQHKMIICNKCQ-YVSFHVDLSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CCCC)C1 ZINC001077447718 761203371 /nfs/dbraw/zinc/20/33/71/761203371.db2.gz KTHPXXJYDPWLGK-OWCLPIDISA-N 1 1 325.453 0.225 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1C/C=C/Cl ZINC001050962222 761230339 /nfs/dbraw/zinc/23/03/39/761230339.db2.gz GLUMCXKPUFNCMD-PGXISHIXSA-N 1 1 325.840 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1C/C=C/Cl ZINC001050962222 761230342 /nfs/dbraw/zinc/23/03/42/761230342.db2.gz GLUMCXKPUFNCMD-PGXISHIXSA-N 1 1 325.840 0.654 20 30 ECEDMO C=C(Cl)CN1CCOC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001050997177 761298537 /nfs/dbraw/zinc/29/85/37/761298537.db2.gz RKHBYKYZJLOSFP-LBPRGKRZSA-N 1 1 342.827 0.919 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(c3cncc(C#N)n3)[C@@H]2C)C1 ZINC001051017410 761344043 /nfs/dbraw/zinc/34/40/43/761344043.db2.gz WUVMBRMFLIXISI-NFAWXSAZSA-N 1 1 328.420 0.773 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)c1 ZINC000991522232 761354442 /nfs/dbraw/zinc/35/44/42/761354442.db2.gz FWRUETWIFUOTOW-DZGCQCFKSA-N 1 1 341.415 0.701 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)nn1 ZINC001054533693 768032966 /nfs/dbraw/zinc/03/29/66/768032966.db2.gz SFKNLHBWYWLLEH-NHYWBVRUSA-N 1 1 327.392 0.748 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)c[nH]1 ZINC000991529525 761397124 /nfs/dbraw/zinc/39/71/24/761397124.db2.gz WTMLDUSRRZVJFU-CJNGLKHVSA-N 1 1 341.415 0.701 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CCCN(C)C(C)=O)CC2)C1 ZINC001105733902 761408500 /nfs/dbraw/zinc/40/85/00/761408500.db2.gz PXALQKLOJOPBAA-UHFFFAOYSA-N 1 1 349.475 0.960 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001051089446 761471170 /nfs/dbraw/zinc/47/11/70/761471170.db2.gz LXMOAAFYEVKZND-GJZGRUSLSA-N 1 1 347.463 0.703 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001051089446 761471175 /nfs/dbraw/zinc/47/11/75/761471175.db2.gz LXMOAAFYEVKZND-GJZGRUSLSA-N 1 1 347.463 0.703 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H]2CCCOC2)c1 ZINC001051107370 761503325 /nfs/dbraw/zinc/50/33/25/761503325.db2.gz SKKYTTPAHFWXMF-AEFFLSMTSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@H+]2C[C@H]2CCCOC2)c1 ZINC001051107370 761503328 /nfs/dbraw/zinc/50/33/28/761503328.db2.gz SKKYTTPAHFWXMF-AEFFLSMTSA-N 1 1 343.427 0.920 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNc3ccnc(C#N)n3)[C@H](C)C2)C1 ZINC001054572551 768045974 /nfs/dbraw/zinc/04/59/74/768045974.db2.gz ZXGHHLAHZIRRSD-RRFJBIMHSA-N 1 1 342.447 0.618 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001017493038 768056898 /nfs/dbraw/zinc/05/68/98/768056898.db2.gz VXCUVCAKLBMTCW-KRWDZBQOSA-N 1 1 345.443 0.395 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001017493038 768056903 /nfs/dbraw/zinc/05/69/03/768056903.db2.gz VXCUVCAKLBMTCW-KRWDZBQOSA-N 1 1 345.443 0.395 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2Cc2ccccc2C#N)C1 ZINC001051242620 761746617 /nfs/dbraw/zinc/74/66/17/761746617.db2.gz VGZMJKOFKYTCAQ-ZWKOTPCHSA-N 1 1 342.443 0.827 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2CC#Cc2ccccc2)C1 ZINC001051242872 761747991 /nfs/dbraw/zinc/74/79/91/761747991.db2.gz ZBLURNWNMNZIIT-RTBURBONSA-N 1 1 341.455 0.807 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccncc2C#N)C[C@H]1O ZINC001051699606 762727576 /nfs/dbraw/zinc/72/75/76/762727576.db2.gz HNDCGDVLFNHRLP-GOEBONIOSA-N 1 1 340.387 0.214 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnn(C)n3)C2)cc1 ZINC001051747648 762862206 /nfs/dbraw/zinc/86/22/06/762862206.db2.gz PNAQSOORAPOXEG-QGZVFWFLSA-N 1 1 339.399 0.427 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)[nH]3)C2)cc1 ZINC001051748394 762865572 /nfs/dbraw/zinc/86/55/72/762865572.db2.gz YUNTYUAJVYWYGY-MRXNPFEDSA-N 1 1 339.399 0.725 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccncc2C#N)C[C@H]1O ZINC001051749338 762869012 /nfs/dbraw/zinc/86/90/12/762869012.db2.gz DSMWBDOMTQFMPE-GOEBONIOSA-N 1 1 340.387 0.214 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001105933737 762885358 /nfs/dbraw/zinc/88/53/58/762885358.db2.gz BZAMVSPRURJEGI-CQSZACIVSA-N 1 1 348.451 0.749 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1=O ZINC001014613063 762901908 /nfs/dbraw/zinc/90/19/08/762901908.db2.gz ATKDVKVEBCLSSM-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC1=O ZINC001014613063 762901915 /nfs/dbraw/zinc/90/19/15/762901915.db2.gz ATKDVKVEBCLSSM-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1=O ZINC001014618544 762912627 /nfs/dbraw/zinc/91/26/27/762912627.db2.gz RKKBYIVCDXXQHE-RDJZCZTQSA-N 1 1 343.402 0.846 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1=O ZINC001014618544 762912631 /nfs/dbraw/zinc/91/26/31/762912631.db2.gz RKKBYIVCDXXQHE-RDJZCZTQSA-N 1 1 343.402 0.846 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001030401102 762937661 /nfs/dbraw/zinc/93/76/61/762937661.db2.gz MXMODOMPFFIUQM-HZPDHXFCSA-N 1 1 334.464 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H]2CCOC2)CC1 ZINC001017539621 768095586 /nfs/dbraw/zinc/09/55/86/768095586.db2.gz ZJRNHDLJWFYRQH-IRXDYDNUSA-N 1 1 345.443 0.395 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H]2CCOC2)CC1 ZINC001017539621 768095592 /nfs/dbraw/zinc/09/55/92/768095592.db2.gz ZJRNHDLJWFYRQH-IRXDYDNUSA-N 1 1 345.443 0.395 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3cc(C)on3)C2)c1 ZINC001051816693 763032729 /nfs/dbraw/zinc/03/27/29/763032729.db2.gz LLCSUPCULFKPEQ-QGZVFWFLSA-N 1 1 340.383 0.990 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nncs3)C2)c1 ZINC001051817816 763034755 /nfs/dbraw/zinc/03/47/55/763034755.db2.gz VGRQPVCGLYLWLO-AWEZNQCLSA-N 1 1 343.412 0.545 20 30 ECEDMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014742821 763071530 /nfs/dbraw/zinc/07/15/30/763071530.db2.gz WQYPNDAXIDUWEH-KRWDZBQOSA-N 1 1 341.411 0.087 20 30 ECEDMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014742821 763071532 /nfs/dbraw/zinc/07/15/32/763071532.db2.gz WQYPNDAXIDUWEH-KRWDZBQOSA-N 1 1 341.411 0.087 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cn(CC)nn2)C1 ZINC001014780858 763141892 /nfs/dbraw/zinc/14/18/92/763141892.db2.gz VQXWBFHONYCLSA-HOCLYGCPSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cn(CC)nn2)C1 ZINC001014780858 763141899 /nfs/dbraw/zinc/14/18/99/763141899.db2.gz VQXWBFHONYCLSA-HOCLYGCPSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2nnnc2c1 ZINC001089847502 763156637 /nfs/dbraw/zinc/15/66/37/763156637.db2.gz VEKYFFTUWDNWIN-FZKCQIBNSA-N 1 1 336.399 0.540 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001046815977 763168172 /nfs/dbraw/zinc/16/81/72/763168172.db2.gz FXLLZDVIWDLQTP-KSSFIOAISA-N 1 1 344.415 0.768 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)ccc1F ZINC001014809111 763208948 /nfs/dbraw/zinc/20/89/48/763208948.db2.gz BJMOBZDDKWUXKF-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)ccc1F ZINC001014809111 763208956 /nfs/dbraw/zinc/20/89/56/763208956.db2.gz BJMOBZDDKWUXKF-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001046849098 763226767 /nfs/dbraw/zinc/22/67/67/763226767.db2.gz BFZMJVNALMGMKH-DNVCBOLYSA-N 1 1 348.491 0.389 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)cc1 ZINC000995056910 763234495 /nfs/dbraw/zinc/23/44/95/763234495.db2.gz SKWBJVLVGQPXEV-HOCLYGCPSA-N 1 1 338.415 0.880 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001046853592 763238195 /nfs/dbraw/zinc/23/81/95/763238195.db2.gz AOWBYMWPZVUPOO-KRWDZBQOSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@]2(C)CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001046885097 763297577 /nfs/dbraw/zinc/29/75/77/763297577.db2.gz BLSQAIDIIOCNJS-KBXCAEBGSA-N 1 1 345.447 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)cn1 ZINC001051906895 763298287 /nfs/dbraw/zinc/29/82/87/763298287.db2.gz SZYOISKDHFTUJC-OAHLLOKOSA-N 1 1 327.344 0.077 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccon3)C2)nc1 ZINC001051909075 763304353 /nfs/dbraw/zinc/30/43/53/763304353.db2.gz OVQBMKJVACWQGQ-HNNXBMFYSA-N 1 1 326.356 0.682 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000940509459 763359337 /nfs/dbraw/zinc/35/93/37/763359337.db2.gz KBCCJMMWCPIXKC-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC000993136844 768128861 /nfs/dbraw/zinc/12/88/61/768128861.db2.gz QRYUAHYMTRAJQE-RVKKMQEKSA-N 1 1 348.447 0.175 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3ccn4nnnc4c3)C2)c1 ZINC001031895767 763411091 /nfs/dbraw/zinc/41/10/91/763411091.db2.gz MJWWMNCMOIYNCX-UHFFFAOYSA-N 1 1 347.382 0.858 20 30 ECEDMO C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001046944206 763433588 /nfs/dbraw/zinc/43/35/88/763433588.db2.gz KPWNTPAZYWXEDJ-NSHDSACASA-N 1 1 336.346 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc3c2CCCC3)C1 ZINC001030462405 763437873 /nfs/dbraw/zinc/43/78/73/763437873.db2.gz VUXOSDGZLIETCT-KRWDZBQOSA-N 1 1 342.443 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc3c2CCCC3)C1 ZINC001030462405 763437876 /nfs/dbraw/zinc/43/78/76/763437876.db2.gz VUXOSDGZLIETCT-KRWDZBQOSA-N 1 1 342.443 0.951 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001046947057 763438187 /nfs/dbraw/zinc/43/81/87/763438187.db2.gz DIPSNPQXVLXBFU-GFCCVEGCSA-N 1 1 338.358 0.986 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001046947057 763438196 /nfs/dbraw/zinc/43/81/96/763438196.db2.gz DIPSNPQXVLXBFU-GFCCVEGCSA-N 1 1 338.358 0.986 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001030464143 763455760 /nfs/dbraw/zinc/45/57/60/763455760.db2.gz JEDQFMBSLJRCAD-JSGCOSHPSA-N 1 1 330.436 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001030464143 763455764 /nfs/dbraw/zinc/45/57/64/763455764.db2.gz JEDQFMBSLJRCAD-JSGCOSHPSA-N 1 1 330.436 0.326 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001046954892 763456280 /nfs/dbraw/zinc/45/62/80/763456280.db2.gz VDHMRCRHDUGOIQ-GFCCVEGCSA-N 1 1 340.374 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001046958802 763463460 /nfs/dbraw/zinc/46/34/60/763463460.db2.gz QJXRBRKGDNALSK-LBPRGKRZSA-N 1 1 348.357 0.684 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001046958802 763463463 /nfs/dbraw/zinc/46/34/63/763463463.db2.gz QJXRBRKGDNALSK-LBPRGKRZSA-N 1 1 348.357 0.684 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001046961378 763468702 /nfs/dbraw/zinc/46/87/02/763468702.db2.gz WMFPGOGIDCUSIC-KGLIPLIRSA-N 1 1 341.402 0.999 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001046961378 763468708 /nfs/dbraw/zinc/46/87/08/763468708.db2.gz WMFPGOGIDCUSIC-KGLIPLIRSA-N 1 1 341.402 0.999 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046963862 763474251 /nfs/dbraw/zinc/47/42/51/763474251.db2.gz VRVQMOUIFOAYNO-RYUDHWBXSA-N 1 1 330.379 0.660 20 30 ECEDMO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001031903138 763479662 /nfs/dbraw/zinc/47/96/62/763479662.db2.gz VLBKYMNSHCJJID-ZDUSSCGKSA-N 1 1 333.417 0.191 20 30 ECEDMO N#Cc1cnccc1NC[C@@H](O)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001105996034 763487884 /nfs/dbraw/zinc/48/78/84/763487884.db2.gz ZAKUXXSTRKRQRB-HIFRSBDPSA-N 1 1 340.387 0.038 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001046970225 763488008 /nfs/dbraw/zinc/48/80/08/763488008.db2.gz HWDMPMZLBVCSJO-SNVBAGLBSA-N 1 1 349.341 0.984 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001046970225 763488012 /nfs/dbraw/zinc/48/80/12/763488012.db2.gz HWDMPMZLBVCSJO-SNVBAGLBSA-N 1 1 349.341 0.984 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046970691 763488652 /nfs/dbraw/zinc/48/86/52/763488652.db2.gz OOBCTBUDNHTGJY-FRRDWIJNSA-N 1 1 345.390 0.669 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001105996065 763489393 /nfs/dbraw/zinc/48/93/93/763489393.db2.gz ZVUNPSPOABYNMB-UONOGXRCSA-N 1 1 346.435 0.500 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001046974106 763494791 /nfs/dbraw/zinc/49/47/91/763494791.db2.gz DVOUWNRJZFXNLW-HZSPNIEDSA-N 1 1 341.402 0.985 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)O)CCC2(F)F)nn1 ZINC001046978105 763498577 /nfs/dbraw/zinc/49/85/77/763498577.db2.gz PJUFXXADCRVJQO-VXGBXAGGSA-N 1 1 343.378 0.532 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc(C)cn3)C2)CC1 ZINC001051985995 763518683 /nfs/dbraw/zinc/51/86/83/763518683.db2.gz FGQMYBJICSLXEY-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001046991676 763525723 /nfs/dbraw/zinc/52/57/23/763525723.db2.gz KARMGVBAFYAUKJ-CHWSQXEVSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001046991676 763525726 /nfs/dbraw/zinc/52/57/26/763525726.db2.gz KARMGVBAFYAUKJ-CHWSQXEVSA-N 1 1 327.375 0.704 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046994073 763531110 /nfs/dbraw/zinc/53/11/10/763531110.db2.gz HBNZLZMEQLUMKU-GFCCVEGCSA-N 1 1 342.390 0.987 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccnc(-n3cccn3)c2)[C@@H](O)C1 ZINC001083770217 763558394 /nfs/dbraw/zinc/55/83/94/763558394.db2.gz XTBJVIMLPMQLNW-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccnc(-n3cccn3)c2)[C@@H](O)C1 ZINC001083770217 763558401 /nfs/dbraw/zinc/55/84/01/763558401.db2.gz XTBJVIMLPMQLNW-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC2CC2)C3)c1 ZINC001047050293 763593746 /nfs/dbraw/zinc/59/37/46/763593746.db2.gz HDHSEODCLWGAFF-CQDKDKBSSA-N 1 1 341.415 0.748 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)C1 ZINC001106003585 763603313 /nfs/dbraw/zinc/60/33/13/763603313.db2.gz DXBVIPSJDQPXFG-HIFRSBDPSA-N 1 1 346.435 0.215 20 30 ECEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001014981998 763607806 /nfs/dbraw/zinc/60/78/06/763607806.db2.gz VHVKXSQESOCMRB-ZBFHGGJFSA-N 1 1 329.400 0.944 20 30 ECEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001014981998 763607809 /nfs/dbraw/zinc/60/78/09/763607809.db2.gz VHVKXSQESOCMRB-ZBFHGGJFSA-N 1 1 329.400 0.944 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@@H]2C)c1 ZINC001088846305 763609348 /nfs/dbraw/zinc/60/93/48/763609348.db2.gz HMTAPSWUDKWQJR-DYVFJYSZSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@@H]2C)c1 ZINC001088846305 763609353 /nfs/dbraw/zinc/60/93/53/763609353.db2.gz HMTAPSWUDKWQJR-DYVFJYSZSA-N 1 1 340.427 0.876 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)C1 ZINC001106003907 763609455 /nfs/dbraw/zinc/60/94/55/763609455.db2.gz KAAUCURPAVRNSI-JKSUJKDBSA-N 1 1 345.447 0.820 20 30 ECEDMO Cc1ccn(C[C@@H](C)C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052032780 763634599 /nfs/dbraw/zinc/63/45/99/763634599.db2.gz KGYJDKZBBKEZIE-WBVHZDCISA-N 1 1 344.463 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001047078667 763636122 /nfs/dbraw/zinc/63/61/22/763636122.db2.gz UIZBWSZQKPMWFG-KKUMJFAQSA-N 1 1 338.415 0.174 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001047078667 763636127 /nfs/dbraw/zinc/63/61/27/763636127.db2.gz UIZBWSZQKPMWFG-KKUMJFAQSA-N 1 1 338.415 0.174 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001077574221 763649482 /nfs/dbraw/zinc/64/94/82/763649482.db2.gz JAMZYDNWPNDSCM-YNEHKIRRSA-N 1 1 335.370 0.608 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)COc3cc(C)on3)C2)CC1 ZINC001052038221 763658074 /nfs/dbraw/zinc/65/80/74/763658074.db2.gz ZIEMJTXIEKGIOR-HNNXBMFYSA-N 1 1 334.420 0.766 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)COc3cc(C)on3)C2)CC1 ZINC001052038221 763658079 /nfs/dbraw/zinc/65/80/79/763658079.db2.gz ZIEMJTXIEKGIOR-HNNXBMFYSA-N 1 1 334.420 0.766 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052040758 763663680 /nfs/dbraw/zinc/66/36/80/763663680.db2.gz JPLSQVDQOVREMC-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C2)CC1 ZINC001052042877 763672085 /nfs/dbraw/zinc/67/20/85/763672085.db2.gz IXAFGJUSSHHXNX-MRXNPFEDSA-N 1 1 331.395 0.505 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc(C4CC4)cn3)C2)CC1 ZINC001052044086 763676290 /nfs/dbraw/zinc/67/62/90/763676290.db2.gz CKVXYOZJKUZKFO-KRWDZBQOSA-N 1 1 342.447 0.503 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)CC1 ZINC001052044027 763676904 /nfs/dbraw/zinc/67/69/04/763676904.db2.gz BCZGZSUTCVXJHF-IAGOWNOFSA-N 1 1 341.459 0.297 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(OC)nc3)C2)CC1 ZINC001052047569 763691279 /nfs/dbraw/zinc/69/12/79/763691279.db2.gz RAXVDQPORMNOBP-MRXNPFEDSA-N 1 1 328.416 0.556 20 30 ECEDMO CCc1cc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n(C)n1 ZINC001052055141 763723181 /nfs/dbraw/zinc/72/31/81/763723181.db2.gz ILJUMUPQZCCPJO-INIZCTEOSA-N 1 1 344.463 0.267 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(CC)nnc3C)C2)CC1 ZINC001052056018 763725749 /nfs/dbraw/zinc/72/57/49/763725749.db2.gz CRBZGESJSWBAIQ-KRWDZBQOSA-N 1 1 341.459 0.813 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)CC1 ZINC001052059895 763738119 /nfs/dbraw/zinc/73/81/19/763738119.db2.gz SCIALOMPPARKEY-QGZVFWFLSA-N 1 1 343.475 0.892 20 30 ECEDMO CC(C)N1C(=O)CC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052067600 763760640 /nfs/dbraw/zinc/76/06/40/763760640.db2.gz BZGYNFLPFGVDTK-CVEARBPZSA-N 1 1 347.463 0.128 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052069264 763764206 /nfs/dbraw/zinc/76/42/06/763764206.db2.gz VZCBXDMJUUEPRJ-GJZGRUSLSA-N 1 1 344.463 0.629 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052069264 763764214 /nfs/dbraw/zinc/76/42/14/763764214.db2.gz VZCBXDMJUUEPRJ-GJZGRUSLSA-N 1 1 344.463 0.629 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ncccc3F)C2)CC1 ZINC001052071535 763772056 /nfs/dbraw/zinc/77/20/56/763772056.db2.gz VFVACAXLAAXINQ-AWEZNQCLSA-N 1 1 331.395 0.505 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000941606050 763820209 /nfs/dbraw/zinc/82/02/09/763820209.db2.gz KZZAPKYDHCMPTP-OAHLLOKOSA-N 1 1 340.427 0.892 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H](C)n3ccnc3)C2)CC1 ZINC001052089452 763824969 /nfs/dbraw/zinc/82/49/69/763824969.db2.gz QYOUEQSNQSKUHI-SJORKVTESA-N 1 1 329.448 0.686 20 30 ECEDMO Cc1nn(C)cc1CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052092673 763833389 /nfs/dbraw/zinc/83/33/89/763833389.db2.gz GFRZMEFIMRAZEM-KRWDZBQOSA-N 1 1 344.463 0.403 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)c3CC)C2)C1=O ZINC001015080859 763834547 /nfs/dbraw/zinc/83/45/47/763834547.db2.gz KBXZKUKBTYTWSL-BBRMVZONSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)c3CC)C2)C1=O ZINC001015080859 763834550 /nfs/dbraw/zinc/83/45/50/763834550.db2.gz KBXZKUKBTYTWSL-BBRMVZONSA-N 1 1 345.447 0.574 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)nc1 ZINC000995169524 763851539 /nfs/dbraw/zinc/85/15/39/763851539.db2.gz UNXXPOGXCGXFMB-UONOGXRCSA-N 1 1 339.403 0.275 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ncccn3)C2)CC1 ZINC001052098855 763854886 /nfs/dbraw/zinc/85/48/86/763854886.db2.gz CXIXDZOLFNGTGT-HNNXBMFYSA-N 1 1 328.420 0.151 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C2)CC1 ZINC001052106764 763882714 /nfs/dbraw/zinc/88/27/14/763882714.db2.gz TXAGPONKZGUDJS-HNNXBMFYSA-N 1 1 327.432 0.859 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C2)CC1 ZINC001052108899 763893009 /nfs/dbraw/zinc/89/30/09/763893009.db2.gz RWEXYJINARSODA-HNNXBMFYSA-N 1 1 342.447 0.008 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC001052110581 763900598 /nfs/dbraw/zinc/90/05/98/763900598.db2.gz SZYKDWLGPYFFKZ-MRXNPFEDSA-N 1 1 342.443 0.241 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052112852 763909634 /nfs/dbraw/zinc/90/96/34/763909634.db2.gz GFRKJOVKMFMYCW-ZWKOTPCHSA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)nn(C)c3F)C2)CC1 ZINC001052113073 763911006 /nfs/dbraw/zinc/91/10/06/763911006.db2.gz LTPGBMQGRQBOIA-HNNXBMFYSA-N 1 1 347.438 0.723 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C2)CC1 ZINC001052116947 763925594 /nfs/dbraw/zinc/92/55/94/763925594.db2.gz BUUXKLHYQZSSII-SFHVURJKSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cnn(C)c3)C2)CC1 ZINC001052119085 763935446 /nfs/dbraw/zinc/93/54/46/763935446.db2.gz JMTORNIVGNJTHL-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO CC[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)N1CCCC1=O ZINC001052119800 763938044 /nfs/dbraw/zinc/93/80/44/763938044.db2.gz WBWQCNNYQSGGAZ-HOTGVXAUSA-N 1 1 347.463 0.129 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088863702 763947615 /nfs/dbraw/zinc/94/76/15/763947615.db2.gz TXWORMYRTFNGQN-ADDUCUOXSA-N 1 1 344.390 0.898 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088863702 763947619 /nfs/dbraw/zinc/94/76/19/763947619.db2.gz TXWORMYRTFNGQN-ADDUCUOXSA-N 1 1 344.390 0.898 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123903 763951755 /nfs/dbraw/zinc/95/17/55/763951755.db2.gz SUDKNSJOARJCRF-WMZOPIPTSA-N 1 1 343.475 0.765 20 30 ECEDMO Cc1cncc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001047353492 764088279 /nfs/dbraw/zinc/08/82/79/764088279.db2.gz CJQCYFIFFRPXNJ-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1cncc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001047353492 764088286 /nfs/dbraw/zinc/08/82/86/764088286.db2.gz CJQCYFIFFRPXNJ-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001047353469 764088380 /nfs/dbraw/zinc/08/83/80/764088380.db2.gz BQDMHBBNLKCUDJ-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001047353469 764088398 /nfs/dbraw/zinc/08/83/98/764088398.db2.gz BQDMHBBNLKCUDJ-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(c3ccnc(C#N)n3)C[C@@]2(C)C1 ZINC001052233519 764103356 /nfs/dbraw/zinc/10/33/56/764103356.db2.gz CTMYFJIVSIXTGS-GLJUWKHASA-N 1 1 340.431 0.727 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCOC)nc2C)C1 ZINC001047376913 764159524 /nfs/dbraw/zinc/15/95/24/764159524.db2.gz AUJLDRCZFSYVAQ-HOTGVXAUSA-N 1 1 336.436 0.531 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001047380115 764168700 /nfs/dbraw/zinc/16/87/00/764168700.db2.gz ZYLNGNADKTZTCW-JQFCIGGWSA-N 1 1 348.447 0.539 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001047381291 764171635 /nfs/dbraw/zinc/17/16/35/764171635.db2.gz HLYSEQWMZOARSX-KBMXLJTQSA-N 1 1 334.420 0.456 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001047381291 764171638 /nfs/dbraw/zinc/17/16/38/764171638.db2.gz HLYSEQWMZOARSX-KBMXLJTQSA-N 1 1 334.420 0.456 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047392431 764196460 /nfs/dbraw/zinc/19/64/60/764196460.db2.gz HRHAWAZACVWGRW-ULQDDVLXSA-N 1 1 347.459 0.162 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047392431 764196464 /nfs/dbraw/zinc/19/64/64/764196464.db2.gz HRHAWAZACVWGRW-ULQDDVLXSA-N 1 1 347.459 0.162 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001047392654 764197912 /nfs/dbraw/zinc/19/79/12/764197912.db2.gz DISAZTIFQBLKAE-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC)nc2C2CC2)C1 ZINC001047397059 764208946 /nfs/dbraw/zinc/20/89/46/764208946.db2.gz LJCYBSXRKBMAIM-HOTGVXAUSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398226 764214111 /nfs/dbraw/zinc/21/41/11/764214111.db2.gz GWOWCYODDFATSE-KBMXLJTQSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001047398226 764214123 /nfs/dbraw/zinc/21/41/23/764214123.db2.gz GWOWCYODDFATSE-KBMXLJTQSA-N 1 1 335.448 0.160 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCCCC2=O)C1 ZINC001047401147 764223696 /nfs/dbraw/zinc/22/36/96/764223696.db2.gz GDEVTWKTSUYAET-HOTGVXAUSA-N 1 1 335.448 0.306 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCCCC2=O)C1 ZINC001047401147 764223700 /nfs/dbraw/zinc/22/37/00/764223700.db2.gz GDEVTWKTSUYAET-HOTGVXAUSA-N 1 1 335.448 0.306 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC001052318636 764242301 /nfs/dbraw/zinc/24/23/01/764242301.db2.gz CGVYOTKMHHRRFH-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNc1nccc(OC)n1 ZINC001106985196 764243575 /nfs/dbraw/zinc/24/35/75/764243575.db2.gz BGBJZVMEVYXBBQ-AWEZNQCLSA-N 1 1 331.420 0.843 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNc1nccc(OC)n1 ZINC001106985196 764243578 /nfs/dbraw/zinc/24/35/78/764243578.db2.gz BGBJZVMEVYXBBQ-AWEZNQCLSA-N 1 1 331.420 0.843 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)[nH]1 ZINC001052319639 764243798 /nfs/dbraw/zinc/24/37/98/764243798.db2.gz HWFXRZXKFAHOCY-SWLSCSKDSA-N 1 1 329.404 0.749 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001047408443 764252700 /nfs/dbraw/zinc/25/27/00/764252700.db2.gz YIXLFJUNSQHTTI-COXVUDFISA-N 1 1 328.416 0.108 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001047408443 764252701 /nfs/dbraw/zinc/25/27/01/764252701.db2.gz YIXLFJUNSQHTTI-COXVUDFISA-N 1 1 328.416 0.108 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3nccnc3c2)C1 ZINC001047411008 764260189 /nfs/dbraw/zinc/26/01/89/764260189.db2.gz QYEUAWXVXJIOQR-GJZGRUSLSA-N 1 1 327.388 0.718 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2cn[nH]c2)C1 ZINC000942681087 764261382 /nfs/dbraw/zinc/26/13/82/764261382.db2.gz DNVAJIJSTDVPGZ-CVEARBPZSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2cn[nH]c2)C1 ZINC000942681087 764261387 /nfs/dbraw/zinc/26/13/87/764261387.db2.gz DNVAJIJSTDVPGZ-CVEARBPZSA-N 1 1 343.431 0.570 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C(F)F)C1 ZINC001047412409 764263213 /nfs/dbraw/zinc/26/32/13/764263213.db2.gz OTUGUKDWBICNRM-RYUDHWBXSA-N 1 1 326.347 0.498 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C(F)F)C1 ZINC001047412409 764263216 /nfs/dbraw/zinc/26/32/16/764263216.db2.gz OTUGUKDWBICNRM-RYUDHWBXSA-N 1 1 326.347 0.498 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001089868818 764265122 /nfs/dbraw/zinc/26/51/22/764265122.db2.gz UHRDCPIZFJUGIZ-ZWUHOBOKSA-N 1 1 326.400 0.529 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCNC2=O)C1 ZINC000995271459 764278998 /nfs/dbraw/zinc/27/89/98/764278998.db2.gz GJRAFIGRDBWDRS-DLBZAZTESA-N 1 1 340.427 0.501 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001078254751 782568999 /nfs/dbraw/zinc/56/89/99/782568999.db2.gz MRLCCNQJVOPSHT-HZPDHXFCSA-N 1 1 331.416 0.456 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)C1 ZINC001106070326 764310564 /nfs/dbraw/zinc/31/05/64/764310564.db2.gz PHZXKBSUVBUEIE-JKSUJKDBSA-N 1 1 345.447 0.964 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001077478416 764340097 /nfs/dbraw/zinc/34/00/97/764340097.db2.gz ACXVDAVYYOJUDM-ZIAGYGMSSA-N 1 1 328.376 0.013 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001077478416 764340101 /nfs/dbraw/zinc/34/01/01/764340101.db2.gz ACXVDAVYYOJUDM-ZIAGYGMSSA-N 1 1 328.376 0.013 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(-c3cccnc3)n2)C1 ZINC001047445063 764367759 /nfs/dbraw/zinc/36/77/59/764367759.db2.gz MUBXBGNASLQPPK-HOTGVXAUSA-N 1 1 340.383 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001047449597 764381481 /nfs/dbraw/zinc/38/14/81/764381481.db2.gz HGLSOELAQZRVAC-KKUMJFAQSA-N 1 1 338.452 0.247 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001047449966 764381996 /nfs/dbraw/zinc/38/19/96/764381996.db2.gz IIJZPIGBOSFVCI-ULQDDVLXSA-N 1 1 328.412 0.765 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001047449966 764382002 /nfs/dbraw/zinc/38/20/02/764382002.db2.gz IIJZPIGBOSFVCI-ULQDDVLXSA-N 1 1 328.412 0.765 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)NC ZINC001099042705 764399853 /nfs/dbraw/zinc/39/98/53/764399853.db2.gz ABJLVPLSRBYVMP-DYVFJYSZSA-N 1 1 325.453 0.666 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)NC ZINC001099042705 764399860 /nfs/dbraw/zinc/39/98/60/764399860.db2.gz ABJLVPLSRBYVMP-DYVFJYSZSA-N 1 1 325.453 0.666 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(N3CCCC3)ncn2)[C@@H](O)C1 ZINC001083779556 764400519 /nfs/dbraw/zinc/40/05/19/764400519.db2.gz HZTFYKUZISWPFQ-CVEARBPZSA-N 1 1 345.447 0.818 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(Br)c2)C1 ZINC001047461064 764414288 /nfs/dbraw/zinc/41/42/88/764414288.db2.gz UVSXWVPRNNRISR-RYUDHWBXSA-N 1 1 340.221 0.918 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC001047461237 764414373 /nfs/dbraw/zinc/41/43/73/764414373.db2.gz XYZYPHOWZIWNSP-QWRGUYRKSA-N 1 1 344.337 0.877 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC001047461237 764414382 /nfs/dbraw/zinc/41/43/82/764414382.db2.gz XYZYPHOWZIWNSP-QWRGUYRKSA-N 1 1 344.337 0.877 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)[C@@H]2C)nn1 ZINC001088906970 764419761 /nfs/dbraw/zinc/41/97/61/764419761.db2.gz UPFJKKYUNJDNSN-KGLIPLIRSA-N 1 1 329.408 0.553 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001047469375 764431169 /nfs/dbraw/zinc/43/11/69/764431169.db2.gz SOAUWBMFYZMYON-STQMWFEESA-N 1 1 329.404 0.823 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001047469375 764431173 /nfs/dbraw/zinc/43/11/73/764431173.db2.gz SOAUWBMFYZMYON-STQMWFEESA-N 1 1 329.404 0.823 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC001088912606 764431588 /nfs/dbraw/zinc/43/15/88/764431588.db2.gz HWFDSWXABDIYMU-CABCVRRESA-N 1 1 348.451 0.724 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001047500382 764522795 /nfs/dbraw/zinc/52/27/95/764522795.db2.gz FFMZDVFTNWKXIE-BZSNNMDCSA-N 1 1 349.475 0.157 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001047512320 764555245 /nfs/dbraw/zinc/55/52/45/764555245.db2.gz NWQHUTKNYLDVLJ-JYJNAYRXSA-N 1 1 335.448 0.515 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001047512320 764555252 /nfs/dbraw/zinc/55/52/52/764555252.db2.gz NWQHUTKNYLDVLJ-JYJNAYRXSA-N 1 1 335.448 0.515 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]2O)C1 ZINC001047519536 764574066 /nfs/dbraw/zinc/57/40/66/764574066.db2.gz HDDJVCZGXDHPID-ILXRZTDVSA-N 1 1 345.447 0.625 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2O)C1 ZINC001047519648 764574131 /nfs/dbraw/zinc/57/41/31/764574131.db2.gz LBCZNBLZBNXCFP-KKUMJFAQSA-N 1 1 335.448 0.467 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2O)C1 ZINC001047519648 764574136 /nfs/dbraw/zinc/57/41/36/764574136.db2.gz LBCZNBLZBNXCFP-KKUMJFAQSA-N 1 1 335.448 0.467 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cncn3)c2)C1 ZINC001047521126 764578746 /nfs/dbraw/zinc/57/87/46/764578746.db2.gz KVXHEWIFSBXSRQ-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO COC(=O)[C@@H]([NH3+])Cc1ccc(NC(=N)c2nccc(OC)n2)cc1 ZINC001168421884 764609959 /nfs/dbraw/zinc/60/99/59/764609959.db2.gz BMZZMMVPRDQDTL-LBPRGKRZSA-N 1 1 329.360 0.565 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001047529990 764610485 /nfs/dbraw/zinc/61/04/85/764610485.db2.gz XZVNCVRSQQQWKO-QZWWFDLISA-N 1 1 331.416 0.676 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001047529990 764610491 /nfs/dbraw/zinc/61/04/91/764610491.db2.gz XZVNCVRSQQQWKO-QZWWFDLISA-N 1 1 331.416 0.676 20 30 ECEDMO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047534296 764620715 /nfs/dbraw/zinc/62/07/15/764620715.db2.gz WDYLLSRJEUQLMU-QCSYZSNVSA-N 1 1 343.427 0.987 20 30 ECEDMO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047534296 764620720 /nfs/dbraw/zinc/62/07/20/764620720.db2.gz WDYLLSRJEUQLMU-QCSYZSNVSA-N 1 1 343.427 0.987 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001052506177 764642778 /nfs/dbraw/zinc/64/27/78/764642778.db2.gz YIIRYVAXOJRXSU-UONOGXRCSA-N 1 1 331.420 0.540 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001047554775 764683015 /nfs/dbraw/zinc/68/30/15/764683015.db2.gz HQXDJJVMPTVHPS-KBPBESRZSA-N 1 1 330.388 0.200 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001047554775 764683018 /nfs/dbraw/zinc/68/30/18/764683018.db2.gz HQXDJJVMPTVHPS-KBPBESRZSA-N 1 1 330.388 0.200 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001089884780 764684834 /nfs/dbraw/zinc/68/48/34/764684834.db2.gz WLWBEMHZWOEXLY-CRNXPOROSA-N 1 1 340.427 0.919 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001047558311 764691057 /nfs/dbraw/zinc/69/10/57/764691057.db2.gz KCLFMSNDMQMSAI-MHORFTMASA-N 1 1 328.412 0.935 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001047558311 764691064 /nfs/dbraw/zinc/69/10/64/764691064.db2.gz KCLFMSNDMQMSAI-MHORFTMASA-N 1 1 328.412 0.935 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001099075290 764701372 /nfs/dbraw/zinc/70/13/72/764701372.db2.gz IPUJZZIXKSKANI-DZKIICNBSA-N 1 1 339.461 0.014 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cncn3C)CC2)C1=O ZINC001052532360 764706246 /nfs/dbraw/zinc/70/62/46/764706246.db2.gz DQOMLONGCSGUDE-HUUCEWRRSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001047567874 764713671 /nfs/dbraw/zinc/71/36/71/764713671.db2.gz ZSLPZXWPJDBZLG-GJZGRUSLSA-N 1 1 327.388 0.775 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001047567874 764713683 /nfs/dbraw/zinc/71/36/83/764713683.db2.gz ZSLPZXWPJDBZLG-GJZGRUSLSA-N 1 1 327.388 0.775 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3sccn3c2=O)CC1 ZINC001052538930 764715526 /nfs/dbraw/zinc/71/55/26/764715526.db2.gz AOEUFXRIACQNFC-GFCCVEGCSA-N 1 1 330.413 0.974 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001047570069 764723186 /nfs/dbraw/zinc/72/31/86/764723186.db2.gz RPHIKZMBFZAAMJ-GJZGRUSLSA-N 1 1 332.404 0.733 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001047570128 764723727 /nfs/dbraw/zinc/72/37/27/764723727.db2.gz UNROOLXAHOVLII-GJZGRUSLSA-N 1 1 332.404 0.733 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC001047572143 764732277 /nfs/dbraw/zinc/73/22/77/764732277.db2.gz IJPDIVYNWBNSJN-HOTGVXAUSA-N 1 1 331.416 0.969 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001047572916 764734123 /nfs/dbraw/zinc/73/41/23/764734123.db2.gz SOJBKZPJDJNPMO-ULQDDVLXSA-N 1 1 341.411 0.388 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001047591013 764802794 /nfs/dbraw/zinc/80/27/94/764802794.db2.gz METVEFVCCBHDHJ-HOTGVXAUSA-N 1 1 347.415 0.553 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)[C@H]1C[N@@H+]([C@H](C)COC)C[C@@H]1O ZINC001047592146 764805936 /nfs/dbraw/zinc/80/59/36/764805936.db2.gz FTXAMWWAEIEFCW-ILXRZTDVSA-N 1 1 349.431 0.798 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc(COC)c2)C1 ZINC001047594256 764816328 /nfs/dbraw/zinc/81/63/28/764816328.db2.gz SVVABXLKMNJOKG-ROUUACIJSA-N 1 1 330.428 0.902 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc(COC)c2)C1 ZINC001047594256 764816334 /nfs/dbraw/zinc/81/63/34/764816334.db2.gz SVVABXLKMNJOKG-ROUUACIJSA-N 1 1 330.428 0.902 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)nc1 ZINC001047601795 764844578 /nfs/dbraw/zinc/84/45/78/764844578.db2.gz KLTTYTYRQXJGOU-SZMVWBNQSA-N 1 1 343.427 0.607 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2OCCc3ccsc32)C1 ZINC001047601723 764845443 /nfs/dbraw/zinc/84/54/43/764845443.db2.gz IQSZPNHXSFWIHC-KKUMJFAQSA-N 1 1 334.441 0.889 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2OCCc3ccsc32)C1 ZINC001047601723 764845451 /nfs/dbraw/zinc/84/54/51/764845451.db2.gz IQSZPNHXSFWIHC-KKUMJFAQSA-N 1 1 334.441 0.889 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001047602401 764848839 /nfs/dbraw/zinc/84/88/39/764848839.db2.gz JPXNICSHZKJLCP-HOTGVXAUSA-N 1 1 340.383 0.877 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001047602401 764848849 /nfs/dbraw/zinc/84/88/49/764848849.db2.gz JPXNICSHZKJLCP-HOTGVXAUSA-N 1 1 340.383 0.877 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)COC3)C1 ZINC001047606990 764862774 /nfs/dbraw/zinc/86/27/74/764862774.db2.gz HYJWNDIISJGBPV-ROUUACIJSA-N 1 1 328.412 0.786 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)COC3)C1 ZINC001047606990 764862783 /nfs/dbraw/zinc/86/27/83/764862783.db2.gz HYJWNDIISJGBPV-ROUUACIJSA-N 1 1 328.412 0.786 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc(COC)nc2C)C1 ZINC001047612001 764877934 /nfs/dbraw/zinc/87/79/34/764877934.db2.gz PGCAMLHPLSAQCX-STQMWFEESA-N 1 1 337.445 0.738 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc(COC)nc2C)C1 ZINC001047612001 764877943 /nfs/dbraw/zinc/87/79/43/764877943.db2.gz PGCAMLHPLSAQCX-STQMWFEESA-N 1 1 337.445 0.738 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)n1 ZINC001052638184 764909337 /nfs/dbraw/zinc/90/93/37/764909337.db2.gz TYHSREWWKPQZFX-NSHDSACASA-N 1 1 345.432 0.928 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)csc2=O)C1 ZINC001047623875 764910234 /nfs/dbraw/zinc/91/02/34/764910234.db2.gz SRVYVTQTHJBZTM-STQMWFEESA-N 1 1 325.434 0.298 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(C)=O)c2)C1 ZINC001047623815 764910310 /nfs/dbraw/zinc/91/03/10/764910310.db2.gz QXBHTMVKCXVFLJ-IRXDYDNUSA-N 1 1 329.400 0.785 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(C)=O)c2)C1 ZINC001047623815 764910314 /nfs/dbraw/zinc/91/03/14/764910314.db2.gz QXBHTMVKCXVFLJ-IRXDYDNUSA-N 1 1 329.400 0.785 20 30 ECEDMO C#CCN1CC[C@]2(NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991955210 764930852 /nfs/dbraw/zinc/93/08/52/764930852.db2.gz LUPSVRIZTLGMCF-LLCZDAQESA-N 1 1 329.444 0.596 20 30 ECEDMO C#CCN1CC[C@]2(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991955210 764930854 /nfs/dbraw/zinc/93/08/54/764930854.db2.gz LUPSVRIZTLGMCF-LLCZDAQESA-N 1 1 329.444 0.596 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001077485349 764968424 /nfs/dbraw/zinc/96/84/24/764968424.db2.gz QFQUVUNQJVDDKJ-HUUCEWRRSA-N 1 1 327.388 0.009 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@H](CC)C(N)=O)CC2)c1 ZINC001052697844 765004224 /nfs/dbraw/zinc/00/42/24/765004224.db2.gz BSGGQUQTARDUAK-JKSUJKDBSA-N 1 1 328.416 0.911 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001017659262 768260271 /nfs/dbraw/zinc/26/02/71/768260271.db2.gz TYQGBVMLGPZSQD-GDBMZVCRSA-N 1 1 348.447 0.530 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)CC1 ZINC001052721614 765043699 /nfs/dbraw/zinc/04/36/99/765043699.db2.gz FVEGNXUKULGMKZ-BMFZPTHFSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cn(C)nn2)CC1 ZINC001052721614 765043706 /nfs/dbraw/zinc/04/37/06/765043706.db2.gz FVEGNXUKULGMKZ-BMFZPTHFSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3c[nH]cn3)CC2)C1=O ZINC001052749726 765063727 /nfs/dbraw/zinc/06/37/27/765063727.db2.gz ZLSQRXSBTPKKLO-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000991994371 765093496 /nfs/dbraw/zinc/09/34/96/765093496.db2.gz SCPLEEIMQYBDOI-DQPZFDDXSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)nn1 ZINC001052774912 765098154 /nfs/dbraw/zinc/09/81/54/765098154.db2.gz NRBKRCLQOQJPIT-STQMWFEESA-N 1 1 334.424 0.183 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)ccc1F ZINC001015633534 765105751 /nfs/dbraw/zinc/10/57/51/765105751.db2.gz HDSCKQDDYPDYRH-OCCSQVGLSA-N 1 1 331.351 0.069 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)ccc1F ZINC001015633534 765105753 /nfs/dbraw/zinc/10/57/53/765105753.db2.gz HDSCKQDDYPDYRH-OCCSQVGLSA-N 1 1 331.351 0.069 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cccnc3OC)C2)C1=O ZINC001015645159 765120873 /nfs/dbraw/zinc/12/08/73/765120873.db2.gz AHTALZHENXJCNE-DZGCQCFKSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccnc3OC)C2)C1=O ZINC001015645159 765120875 /nfs/dbraw/zinc/12/08/75/765120875.db2.gz AHTALZHENXJCNE-DZGCQCFKSA-N 1 1 344.415 0.681 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000992009195 765142942 /nfs/dbraw/zinc/14/29/42/765142942.db2.gz PPBJOFPUXJRAKO-OPFPJEHXSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001052821685 765182074 /nfs/dbraw/zinc/18/20/74/765182074.db2.gz QNYXPXKBWQIQAW-UMVBOHGHSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001052830304 765192907 /nfs/dbraw/zinc/19/29/07/765192907.db2.gz CWCMAXYSJAMTQX-HZPDHXFCSA-N 1 1 345.447 0.922 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC001052848554 765222571 /nfs/dbraw/zinc/22/25/71/765222571.db2.gz GQSPDBYIOKEWHT-LSDHHAIUSA-N 1 1 331.420 0.847 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC001052856261 765237891 /nfs/dbraw/zinc/23/78/91/765237891.db2.gz AXCNXYFUUHPECW-AWEZNQCLSA-N 1 1 346.431 0.977 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC001099106672 765242235 /nfs/dbraw/zinc/24/22/35/765242235.db2.gz LPAUTMNBYPJDSD-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000992044046 765270647 /nfs/dbraw/zinc/27/06/47/765270647.db2.gz DTGSXQYKJJLILH-DNOWBOINSA-N 1 1 343.431 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)CC2)cn1 ZINC001052877445 765283582 /nfs/dbraw/zinc/28/35/82/765283582.db2.gz MOEORIROQGMITJ-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)CC2)cn1 ZINC001052877445 765283584 /nfs/dbraw/zinc/28/35/84/765283584.db2.gz MOEORIROQGMITJ-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cn(C)nn3)CC2)cn1 ZINC001052878269 765285067 /nfs/dbraw/zinc/28/50/67/765285067.db2.gz FFRRDDHNGODGRO-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cn(C)nn3)CC2)cn1 ZINC001052878269 765285074 /nfs/dbraw/zinc/28/50/74/765285074.db2.gz FFRRDDHNGODGRO-MRXNPFEDSA-N 1 1 338.415 0.976 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(CC)nc3C)C2)C1=O ZINC001015772665 765291651 /nfs/dbraw/zinc/29/16/51/765291651.db2.gz MJQXQWLVPDQPOC-GOEBONIOSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(CC)nc3C)C2)C1=O ZINC001015772665 765291657 /nfs/dbraw/zinc/29/16/57/765291657.db2.gz MJQXQWLVPDQPOC-GOEBONIOSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(CC)nc3C)C2)C1=O ZINC001015772667 765292141 /nfs/dbraw/zinc/29/21/41/765292141.db2.gz MJQXQWLVPDQPOC-ZBFHGGJFSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cn(CC)nc3C)C2)C1=O ZINC001015772667 765292148 /nfs/dbraw/zinc/29/21/48/765292148.db2.gz MJQXQWLVPDQPOC-ZBFHGGJFSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC001052912426 765333135 /nfs/dbraw/zinc/33/31/35/765333135.db2.gz BRRJREVZVLHGDI-ZDUSSCGKSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CCc3ccnn3C)C2)nn1 ZINC001015820609 765383132 /nfs/dbraw/zinc/38/31/32/765383132.db2.gz JFKSYQLTJMAEQW-CQSZACIVSA-N 1 1 343.435 0.635 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001052959249 765414889 /nfs/dbraw/zinc/41/48/89/765414889.db2.gz SUFUBTHTEGBJHC-ZDUSSCGKSA-N 1 1 334.424 0.314 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001052989142 765467141 /nfs/dbraw/zinc/46/71/41/765467141.db2.gz ZPPRWVRZTJXQNK-DZGCQCFKSA-N 1 1 334.420 0.605 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+](CC(N)=O)C3)C2)c1 ZINC001053015748 765488849 /nfs/dbraw/zinc/48/88/49/765488849.db2.gz LOJBWNOPNRDWCY-GJZGRUSLSA-N 1 1 343.431 0.936 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[N@H+](CC(N)=O)C3)C2)[nH]1 ZINC001053019332 765492022 /nfs/dbraw/zinc/49/20/22/765492022.db2.gz LYLUWPULJXQVAZ-KGLIPLIRSA-N 1 1 343.431 0.936 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001053027865 765500780 /nfs/dbraw/zinc/50/07/80/765500780.db2.gz IMHURLGAZWZWDQ-DLBZAZTESA-N 1 1 347.459 0.429 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(CC)c3C)C2)C1=O ZINC001015894008 765506860 /nfs/dbraw/zinc/50/68/60/765506860.db2.gz VTFVMAOWMHBKOR-HOCLYGCPSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CC)c3C)C2)C1=O ZINC001015894008 765506868 /nfs/dbraw/zinc/50/68/68/765506868.db2.gz VTFVMAOWMHBKOR-HOCLYGCPSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C(C)C)nn3)C2)C1=O ZINC001015913311 765537043 /nfs/dbraw/zinc/53/70/43/765537043.db2.gz NDWISLBXXVAMBI-DZGCQCFKSA-N 1 1 346.435 0.450 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(C(C)C)nn3)C2)C1=O ZINC001015913311 765537048 /nfs/dbraw/zinc/53/70/48/765537048.db2.gz NDWISLBXXVAMBI-DZGCQCFKSA-N 1 1 346.435 0.450 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]nc3C3CC3)C2)C1=O ZINC001015932476 765574384 /nfs/dbraw/zinc/57/43/84/765574384.db2.gz WUQZESDYJNBVRZ-UKRRQHHQSA-N 1 1 343.431 0.878 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]nc3C3CC3)C2)C1=O ZINC001015932476 765574392 /nfs/dbraw/zinc/57/43/92/765574392.db2.gz WUQZESDYJNBVRZ-UKRRQHHQSA-N 1 1 343.431 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001053104292 765580402 /nfs/dbraw/zinc/58/04/02/765580402.db2.gz DNPMRWSJOWFTKC-GJZGRUSLSA-N 1 1 346.431 0.265 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)CC[N@H+]1C ZINC001106092472 765583658 /nfs/dbraw/zinc/58/36/58/765583658.db2.gz GIVFJNDEBJWHIN-AEGPPILISA-N 1 1 331.420 0.573 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNc2ncc(C#N)cc2F)CC[N@H+]1C ZINC001106092623 765586943 /nfs/dbraw/zinc/58/69/43/765586943.db2.gz JXFLBHIMQLIEEK-UBHSHLNASA-N 1 1 349.410 0.712 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)cc1C#N ZINC000992162263 765721078 /nfs/dbraw/zinc/72/10/78/765721078.db2.gz RQJMMWHQICPRRC-CRAIPNDOSA-N 1 1 342.399 0.665 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001016032491 765734084 /nfs/dbraw/zinc/73/40/84/765734084.db2.gz ASBKPKVZWGMCQV-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001016032491 765734091 /nfs/dbraw/zinc/73/40/91/765734091.db2.gz ASBKPKVZWGMCQV-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12 ZINC000992172218 765767587 /nfs/dbraw/zinc/76/75/87/765767587.db2.gz OAEMVVYPTXBKMP-FSZRXZPDSA-N 1 1 335.448 0.921 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001016109793 765793924 /nfs/dbraw/zinc/79/39/24/765793924.db2.gz DRRLBGXPRMZZCN-JKSUJKDBSA-N 1 1 339.395 0.206 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001016109793 765793927 /nfs/dbraw/zinc/79/39/27/765793927.db2.gz DRRLBGXPRMZZCN-JKSUJKDBSA-N 1 1 339.395 0.206 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H](O)CNc1nccnc1C#N)CC(C)(C)C ZINC001106107553 765833523 /nfs/dbraw/zinc/83/35/23/765833523.db2.gz ALNWHTZQAFZTPM-GFCCVEGCSA-N 1 1 334.424 0.215 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)CCO2 ZINC001053256349 765853415 /nfs/dbraw/zinc/85/34/15/765853415.db2.gz ZTRTUPSAOHBCEK-DLBZAZTESA-N 1 1 331.460 0.797 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)C[N@H+]2CCC[C@@H]2C)n1 ZINC001106108590 765854382 /nfs/dbraw/zinc/85/43/82/765854382.db2.gz LJJKMMTZYXWCKZ-JSGCOSHPSA-N 1 1 346.435 0.284 20 30 ECEDMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)ccc1=O ZINC001016182854 765878207 /nfs/dbraw/zinc/87/82/07/765878207.db2.gz WJTKDRJNCAGIDQ-OAHLLOKOSA-N 1 1 337.383 0.656 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cn[nH]c2)C1 ZINC000992207173 765897725 /nfs/dbraw/zinc/89/77/25/765897725.db2.gz JUTGPHSIPKOKOZ-ZALBZXLWSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cn[nH]c2)C1 ZINC000992207173 765897730 /nfs/dbraw/zinc/89/77/30/765897730.db2.gz JUTGPHSIPKOKOZ-ZALBZXLWSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CCO2 ZINC001053304354 765939729 /nfs/dbraw/zinc/93/97/29/765939729.db2.gz HRYRFXBBLKEPTP-IRXDYDNUSA-N 1 1 331.460 0.940 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)CN1CCCNC1=O)CCO2 ZINC001053327593 765979243 /nfs/dbraw/zinc/97/92/43/765979243.db2.gz QEUOCQZEYFUJKM-UHFFFAOYSA-N 1 1 336.436 0.281 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(C(=O)C#CC2CC2)CC1 ZINC001017738863 768338354 /nfs/dbraw/zinc/33/83/54/768338354.db2.gz YLSRWULYGOWHKL-YOEHRIQHSA-N 1 1 329.444 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cccn2C)C1 ZINC001016263819 766001984 /nfs/dbraw/zinc/00/19/84/766001984.db2.gz MGCQGWAKGBKZAS-GPANFISMSA-N 1 1 342.443 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cccn2C)C1 ZINC001016263819 766001992 /nfs/dbraw/zinc/00/19/92/766001992.db2.gz MGCQGWAKGBKZAS-GPANFISMSA-N 1 1 342.443 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccon2)C1 ZINC001016289593 766048260 /nfs/dbraw/zinc/04/82/60/766048260.db2.gz DWOTUMIGWWCLHS-PIMMBPRGSA-N 1 1 330.388 0.491 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccon2)C1 ZINC001016289593 766048268 /nfs/dbraw/zinc/04/82/68/766048268.db2.gz DWOTUMIGWWCLHS-PIMMBPRGSA-N 1 1 330.388 0.491 20 30 ECEDMO CN(C(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)C1CC1 ZINC001007102735 766095538 /nfs/dbraw/zinc/09/55/38/766095538.db2.gz VJYYHDWJCGVVCR-ZDUSSCGKSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)C1CC1 ZINC001007102735 766095546 /nfs/dbraw/zinc/09/55/46/766095546.db2.gz VJYYHDWJCGVVCR-ZDUSSCGKSA-N 1 1 329.404 0.701 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+](C)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001089221894 766098341 /nfs/dbraw/zinc/09/83/41/766098341.db2.gz SDEWLYASFOVYSA-HNNXBMFYSA-N 1 1 344.415 0.865 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001089221894 766098344 /nfs/dbraw/zinc/09/83/44/766098344.db2.gz SDEWLYASFOVYSA-HNNXBMFYSA-N 1 1 344.415 0.865 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CCO2 ZINC001053428960 766117282 /nfs/dbraw/zinc/11/72/82/766117282.db2.gz BEPFJWJPHMGQQU-MRXNPFEDSA-N 1 1 342.443 0.690 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001053436008 766128154 /nfs/dbraw/zinc/12/81/54/766128154.db2.gz CJSVBPDUUOBFLN-CABCVRRESA-N 1 1 325.453 0.742 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3ncn4nccc4c3=O)CCC[C@H]12 ZINC000992277258 766131402 /nfs/dbraw/zinc/13/14/02/766131402.db2.gz WJMKTHYKNWNFDT-YOEHRIQHSA-N 1 1 342.403 0.190 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001053441525 766136680 /nfs/dbraw/zinc/13/66/80/766136680.db2.gz AZZVRSYDSKULON-HZPDHXFCSA-N 1 1 337.464 0.579 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cncc(OC)n1)CCO2 ZINC001053459634 766167539 /nfs/dbraw/zinc/16/75/39/766167539.db2.gz UURISSBZCZSFDP-UHFFFAOYSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@H]2C[N@H+](C)[C@H]2CCNC2=O)nn1 ZINC001089235753 766169813 /nfs/dbraw/zinc/16/98/13/766169813.db2.gz BZUKWSZZTDSETB-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H]2CCNC2=O)CC3)nn1 ZINC000992301220 766200426 /nfs/dbraw/zinc/20/04/26/766200426.db2.gz GHUUCDKUSMWERJ-VBQJREDUSA-N 1 1 344.419 0.079 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C[C@H](C)O)CC3)nn1 ZINC000992321661 766264449 /nfs/dbraw/zinc/26/44/49/766264449.db2.gz NXTAUYYZYHDPTE-QRTARXTBSA-N 1 1 333.436 0.962 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC(=O)N1C)CCO2 ZINC001053520476 766274060 /nfs/dbraw/zinc/27/40/60/766274060.db2.gz ICKIYXSZDBVJCX-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)cc1 ZINC001016429367 766283556 /nfs/dbraw/zinc/28/35/56/766283556.db2.gz GMLJOIANTPPXEH-HUUCEWRRSA-N 1 1 340.383 0.302 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 ZINC000992337603 766308565 /nfs/dbraw/zinc/30/85/65/766308565.db2.gz QZMSIHNCYSLLIG-GUYCJALGSA-N 1 1 334.420 0.618 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)Cn1cccn1 ZINC001045775265 766354531 /nfs/dbraw/zinc/35/45/31/766354531.db2.gz CGDOCMLJPNLYPX-FGTMMUONSA-N 1 1 342.443 0.723 20 30 ECEDMO CO[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248609 766355236 /nfs/dbraw/zinc/35/52/36/766355236.db2.gz JSUGEZMYEITXSS-ZIAGYGMSSA-N 1 1 349.431 0.000 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248609 766355243 /nfs/dbraw/zinc/35/52/43/766355243.db2.gz JSUGEZMYEITXSS-ZIAGYGMSSA-N 1 1 349.431 0.000 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccncc3C)C2)C1=O ZINC001031659086 766374464 /nfs/dbraw/zinc/37/44/64/766374464.db2.gz LZQWBKPFYFMTRF-MRXNPFEDSA-N 1 1 328.416 0.839 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(N)=O)cn1C)O2 ZINC001053627252 766471076 /nfs/dbraw/zinc/47/10/76/766471076.db2.gz RRYNNXCPTUXPJQ-CQSZACIVSA-N 1 1 344.415 0.111 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(=O)c(OC)c[nH]1)O2 ZINC001053628685 766475225 /nfs/dbraw/zinc/47/52/25/766475225.db2.gz VIMGLNNSORBHAL-ZDUSSCGKSA-N 1 1 345.399 0.370 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn3cccnc13)O2 ZINC001053635516 766486503 /nfs/dbraw/zinc/48/65/03/766486503.db2.gz FZPLUPHRVYAWEU-AWEZNQCLSA-N 1 1 339.399 0.716 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C)nc1OC)O2 ZINC001053635620 766488224 /nfs/dbraw/zinc/48/82/24/766488224.db2.gz IESRMSFNLRZWFG-CYBMUJFWSA-N 1 1 332.404 0.415 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C(C)C)O2 ZINC001053649493 766510563 /nfs/dbraw/zinc/51/05/63/766510563.db2.gz NNVSERRLZSWMNK-HOTGVXAUSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001045950465 766521962 /nfs/dbraw/zinc/52/19/62/766521962.db2.gz CGHYWDUHYCOELM-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001045950465 766521968 /nfs/dbraw/zinc/52/19/68/766521968.db2.gz CGHYWDUHYCOELM-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCCC(=O)N1)O2 ZINC001053662697 766535831 /nfs/dbraw/zinc/53/58/31/766535831.db2.gz TYYAIEVEDZPFML-GJZGRUSLSA-N 1 1 333.432 0.418 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001045973133 766542273 /nfs/dbraw/zinc/54/22/73/766542273.db2.gz GXJXFBNQXYWIAI-GOSISDBHSA-N 1 1 333.432 0.930 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001045974643 766545700 /nfs/dbraw/zinc/54/57/00/766545700.db2.gz IPYBEKFEDFQVMH-SFHVURJKSA-N 1 1 348.447 0.819 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3cccnn31)O2 ZINC001053677457 766561575 /nfs/dbraw/zinc/56/15/75/766561575.db2.gz YUZCENLEJPEMHJ-CQSZACIVSA-N 1 1 339.399 0.716 20 30 ECEDMO COCC(=O)N1CCN([C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC001045989408 766564942 /nfs/dbraw/zinc/56/49/42/766564942.db2.gz IMRVHXSPHHETRC-LJQANCHMSA-N 1 1 341.455 0.903 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC3(C[NH+](C[C@@H](C)O)C3)O2)cn1 ZINC001053690088 766595363 /nfs/dbraw/zinc/59/53/63/766595363.db2.gz DSNRSXDYROESQF-CZUORRHYSA-N 1 1 329.400 0.407 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C(C)=O)CCO3)CCC[C@@H]12 ZINC000992455505 766615310 /nfs/dbraw/zinc/61/53/10/766615310.db2.gz LSCGERNAWUMEOE-JFIYKMOQSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)O2 ZINC001053700526 766620076 /nfs/dbraw/zinc/62/00/76/766620076.db2.gz WUQSYHONWGKNBD-HZPDHXFCSA-N 1 1 335.448 0.080 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700526 766620079 /nfs/dbraw/zinc/62/00/79/766620079.db2.gz WUQSYHONWGKNBD-HZPDHXFCSA-N 1 1 335.448 0.080 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(CC)n(C)n1)O2 ZINC001053705032 766631192 /nfs/dbraw/zinc/63/11/92/766631192.db2.gz UOXBUEOSMSDWKX-HNNXBMFYSA-N 1 1 330.432 0.969 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](CCc3cnn(C)c3)C2)CC1 ZINC001046012122 766638058 /nfs/dbraw/zinc/63/80/58/766638058.db2.gz LTXOBQDOCAZHDH-RDJZCZTQSA-N 1 1 344.463 0.341 20 30 ECEDMO CCn1ccc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046013504 766642713 /nfs/dbraw/zinc/64/27/13/766642713.db2.gz ZKIIZDVGJBPSEC-NVXWUHKLSA-N 1 1 344.463 0.781 20 30 ECEDMO CCn1ccc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046013504 766642716 /nfs/dbraw/zinc/64/27/16/766642716.db2.gz ZKIIZDVGJBPSEC-NVXWUHKLSA-N 1 1 344.463 0.781 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3C)CC2)C1 ZINC001046013779 766643806 /nfs/dbraw/zinc/64/38/06/766643806.db2.gz JXXRLJIGWVGPKN-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)C3CCN(C(N)=O)CC3)CCC[C@@H]12 ZINC000992467748 766644130 /nfs/dbraw/zinc/64/41/30/766644130.db2.gz VQNGBOZXVCHGDY-CRAIPNDOSA-N 1 1 332.448 0.914 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CC)c3)CC2)C1 ZINC001046014168 766645121 /nfs/dbraw/zinc/64/51/21/766645121.db2.gz QQBZUUPAKJRWFZ-QGZVFWFLSA-N 1 1 329.448 0.758 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3COCCN3C)CC2)C1 ZINC001046019752 766660483 /nfs/dbraw/zinc/66/04/83/766660483.db2.gz IREGLBNQWFQPGD-DLBZAZTESA-N 1 1 336.480 0.112 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046021120 766665085 /nfs/dbraw/zinc/66/50/85/766665085.db2.gz AWAFSLKGQIBZAT-CZUORRHYSA-N 1 1 331.420 0.099 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 ZINC001046022703 766669855 /nfs/dbraw/zinc/66/98/55/766669855.db2.gz WJHJNWMOLZQWPO-HZPDHXFCSA-N 1 1 332.452 0.634 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@H](OC)C2CCC2)C[C@H]1OC ZINC001212262362 766685694 /nfs/dbraw/zinc/68/56/94/766685694.db2.gz MKJMNOXJLIVTRR-IXDOHACOSA-N 1 1 338.448 0.657 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046028788 766693188 /nfs/dbraw/zinc/69/31/88/766693188.db2.gz VVCKOUIBSSUBSG-KRWDZBQOSA-N 1 1 329.448 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(F)cncc2F)C1 ZINC000994750036 766693422 /nfs/dbraw/zinc/69/34/22/766693422.db2.gz FXTOYVTUCNKKDC-AWEZNQCLSA-N 1 1 348.353 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(F)cncc2F)C1 ZINC000994750036 766693427 /nfs/dbraw/zinc/69/34/27/766693427.db2.gz FXTOYVTUCNKKDC-AWEZNQCLSA-N 1 1 348.353 0.398 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC001046029761 766695710 /nfs/dbraw/zinc/69/57/10/766695710.db2.gz ARXMSNHCIHFXMW-HNNXBMFYSA-N 1 1 329.448 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C2=CCOCC2)C1 ZINC001016670096 766698827 /nfs/dbraw/zinc/69/88/27/766698827.db2.gz IFEQOQMXHJXQSU-JCYILVPMSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C2=CCOCC2)C1 ZINC001016670096 766698832 /nfs/dbraw/zinc/69/88/32/766698832.db2.gz IFEQOQMXHJXQSU-JCYILVPMSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cnc(C)[nH]2)C1 ZINC001016670412 766699029 /nfs/dbraw/zinc/69/90/29/766699029.db2.gz OBEVSBPCRULTNG-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cnc(C)[nH]2)C1 ZINC001016670412 766699032 /nfs/dbraw/zinc/69/90/32/766699032.db2.gz OBEVSBPCRULTNG-XUJLQICISA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2n[nH]cc2F)C1 ZINC001016670028 766699058 /nfs/dbraw/zinc/69/90/58/766699058.db2.gz GLPAUODOVBXQOQ-YIZWMMSDSA-N 1 1 347.394 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2n[nH]cc2F)C1 ZINC001016670028 766699062 /nfs/dbraw/zinc/69/90/62/766699062.db2.gz GLPAUODOVBXQOQ-YIZWMMSDSA-N 1 1 347.394 0.366 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001046031806 766702345 /nfs/dbraw/zinc/70/23/45/766702345.db2.gz WTPHVYUPQZFRSV-IXDOHACOSA-N 1 1 348.491 0.696 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccn(CC)n3)CC2)C1 ZINC001046032450 766704915 /nfs/dbraw/zinc/70/49/15/766704915.db2.gz KFUDQKQKLJJZBK-GOSISDBHSA-N 1 1 343.475 0.687 20 30 ECEDMO CCN(c1ncc(C#N)cc1F)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089626581 766708603 /nfs/dbraw/zinc/70/86/03/766708603.db2.gz ADJSNFWTVXPEQG-DOMZBBRYSA-N 1 1 349.410 0.754 20 30 ECEDMO CCN(c1ncc(C#N)cc1F)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089626581 766708608 /nfs/dbraw/zinc/70/86/08/766708608.db2.gz ADJSNFWTVXPEQG-DOMZBBRYSA-N 1 1 349.410 0.754 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046034561 766714435 /nfs/dbraw/zinc/71/44/35/766714435.db2.gz VDAVCUPXXKLMJJ-CQSZACIVSA-N 1 1 338.843 0.249 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046034561 766714442 /nfs/dbraw/zinc/71/44/42/766714442.db2.gz VDAVCUPXXKLMJJ-CQSZACIVSA-N 1 1 338.843 0.249 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nn(C)cc3Cl)CC2)C1 ZINC001046034904 766715869 /nfs/dbraw/zinc/71/58/69/766715869.db2.gz YMMXEXCITLHQKB-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncc(OC)cc3F)CC2)C1 ZINC001046035981 766723496 /nfs/dbraw/zinc/72/34/96/766723496.db2.gz XSQXYIMUVUMTKT-AWEZNQCLSA-N 1 1 346.406 0.695 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2C=CC=CC=C2)C1 ZINC000994756278 766726456 /nfs/dbraw/zinc/72/64/56/766726456.db2.gz WJXHKEVENCLTLI-KRWDZBQOSA-N 1 1 325.412 0.709 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2C=CC=CC=C2)C1 ZINC000994756278 766726460 /nfs/dbraw/zinc/72/64/60/766726460.db2.gz WJXHKEVENCLTLI-KRWDZBQOSA-N 1 1 325.412 0.709 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC001046036448 766727405 /nfs/dbraw/zinc/72/74/05/766727405.db2.gz KLEKULXFIDHZCD-QAPCUYQASA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(CCC)c2)C1 ZINC000994756827 766730152 /nfs/dbraw/zinc/73/01/52/766730152.db2.gz YZIDYRWWPVZLPP-INIZCTEOSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(CCC)c2)C1 ZINC000994756827 766730157 /nfs/dbraw/zinc/73/01/57/766730157.db2.gz YZIDYRWWPVZLPP-INIZCTEOSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000994756879 766730561 /nfs/dbraw/zinc/73/05/61/766730561.db2.gz ZBAWWLBABKTVRC-QOKNQOGYSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000994756879 766730565 /nfs/dbraw/zinc/73/05/65/766730565.db2.gz ZBAWWLBABKTVRC-QOKNQOGYSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001046037148 766730849 /nfs/dbraw/zinc/73/08/49/766730849.db2.gz TVXIJGJFEBACAL-BBWFWOEESA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCC=C)C2)CC1 ZINC001046037309 766732974 /nfs/dbraw/zinc/73/29/74/766732974.db2.gz VVBNQUCFSMDAHL-MOPGFXCFSA-N 1 1 344.503 0.879 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC001046038363 766737708 /nfs/dbraw/zinc/73/77/08/766737708.db2.gz CZZAXQMVRRXFMV-AWEZNQCLSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1OC ZINC001212264464 766744276 /nfs/dbraw/zinc/74/42/76/766744276.db2.gz JQSGODFFVQGNAU-BRWVUGGUSA-N 1 1 340.464 0.903 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC001046040411 766746116 /nfs/dbraw/zinc/74/61/16/766746116.db2.gz HPHAALROWVYYDT-MRXNPFEDSA-N 1 1 333.411 0.318 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046041240 766751422 /nfs/dbraw/zinc/75/14/22/766751422.db2.gz OXGACOYMDGBVSQ-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC001046042046 766753682 /nfs/dbraw/zinc/75/36/82/766753682.db2.gz RCFDDFUZAHTODM-MSOLQXFVSA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC001046042215 766755280 /nfs/dbraw/zinc/75/52/80/766755280.db2.gz XNVRBJIBRUHGKT-QGZVFWFLSA-N 1 1 347.438 0.708 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1OC ZINC001212264765 766760890 /nfs/dbraw/zinc/76/08/90/766760890.db2.gz RAPBRBLRVCUACX-BZUAXINKSA-N 1 1 326.437 0.657 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cncc3C)CC2)C1 ZINC001046043487 766762155 /nfs/dbraw/zinc/76/21/55/766762155.db2.gz GYYTYGCACUYONA-KRWDZBQOSA-N 1 1 331.464 0.986 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc(OC)n3)CC2)C1 ZINC001046044647 766767029 /nfs/dbraw/zinc/76/70/29/766767029.db2.gz NPGTUPZNBFALGR-CQSZACIVSA-N 1 1 331.420 0.503 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN([C@H]2CC[N@H+](CC(=O)NC)C2)CC1 ZINC001046048995 766781947 /nfs/dbraw/zinc/78/19/47/766781947.db2.gz HTQHZXKHXABHLV-HNNXBMFYSA-N 1 1 336.480 0.553 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@@H]12 ZINC000992532164 766787265 /nfs/dbraw/zinc/78/72/65/766787265.db2.gz WSRIGVSHDDJUEO-CZUORRHYSA-N 1 1 332.408 0.066 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4cccnc34)CC2)C1 ZINC001046051233 766791004 /nfs/dbraw/zinc/79/10/04/766791004.db2.gz ZDWJDKNFFHOUCQ-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046053931 766799429 /nfs/dbraw/zinc/79/94/29/766799429.db2.gz HPFWXRNYHIQNOY-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO CC[C@@H](C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C#N)[nH]1)CO2)OC ZINC001053773972 766807103 /nfs/dbraw/zinc/80/71/03/766807103.db2.gz QOACBJCYEBACSC-KGLIPLIRSA-N 1 1 332.404 0.884 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccnc3OC)CC2)C1 ZINC001046056503 766811218 /nfs/dbraw/zinc/81/12/18/766811218.db2.gz FVUHIDGFAZDDNX-HNNXBMFYSA-N 1 1 328.416 0.556 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC001046059898 766824844 /nfs/dbraw/zinc/82/48/44/766824844.db2.gz RBWPUCWSDJKKFJ-HNNXBMFYSA-N 1 1 346.431 0.787 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc(OCC)c3)CC2)C1 ZINC001046060471 766827124 /nfs/dbraw/zinc/82/71/24/766827124.db2.gz AJKRBBLYRCPFEC-KRWDZBQOSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC001046061623 766832030 /nfs/dbraw/zinc/83/20/30/766832030.db2.gz OJYTWGIRULDEDB-MRXNPFEDSA-N 1 1 342.443 0.241 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncc(C#C)c3)CC2)C1 ZINC001046062493 766835800 /nfs/dbraw/zinc/83/58/00/766835800.db2.gz VLXDVOCETNNREH-IBGZPJMESA-N 1 1 336.439 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn(C(C)C)n3)CC2)C1 ZINC001046066394 766853791 /nfs/dbraw/zinc/85/37/91/766853791.db2.gz LLNCQLZVMGSVEK-MRXNPFEDSA-N 1 1 329.448 0.929 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@H]12 ZINC000992552644 766854072 /nfs/dbraw/zinc/85/40/72/766854072.db2.gz YFVLTRSKOHFCCK-BFQNTYOBSA-N 1 1 339.823 0.905 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@H]12 ZINC000992552644 766854081 /nfs/dbraw/zinc/85/40/81/766854081.db2.gz YFVLTRSKOHFCCK-BFQNTYOBSA-N 1 1 339.823 0.905 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CCC(C)CC3)CC2)C1 ZINC001046068869 766864153 /nfs/dbraw/zinc/86/41/53/766864153.db2.gz WBSPOUADBBUUJZ-KRWDZBQOSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 ZINC001046069546 766870886 /nfs/dbraw/zinc/87/08/86/766870886.db2.gz IEFGTJMHZDQGCJ-CVEARBPZSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)COC3CCOCC3)CC2)C1 ZINC001046070229 766871763 /nfs/dbraw/zinc/87/17/63/766871763.db2.gz NGGHSMJUPOTZDF-INIZCTEOSA-N 1 1 335.448 0.034 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070043 766872298 /nfs/dbraw/zinc/87/22/98/766872298.db2.gz NRZHILXNNMMIRG-OAHLLOKOSA-N 1 1 332.452 0.613 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)S(C)(=O)=O)CC2)C1 ZINC001046071297 766878267 /nfs/dbraw/zinc/87/82/67/766878267.db2.gz VGRWCBLYMDKPPY-CQSZACIVSA-N 1 1 343.493 0.214 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)S(C)(=O)=O)CC2)C1 ZINC001046071297 766878277 /nfs/dbraw/zinc/87/82/77/766878277.db2.gz VGRWCBLYMDKPPY-CQSZACIVSA-N 1 1 343.493 0.214 20 30 ECEDMO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001089651211 766879480 /nfs/dbraw/zinc/87/94/80/766879480.db2.gz UGGYTHFZKHFVBE-GFCCVEGCSA-N 1 1 327.392 0.884 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC001046072864 766884425 /nfs/dbraw/zinc/88/44/25/766884425.db2.gz PGJJOHCFIXZHOG-HNNXBMFYSA-N 1 1 345.447 0.522 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC001046073241 766886556 /nfs/dbraw/zinc/88/65/56/766886556.db2.gz YUWWSBUWXBMXGJ-INIZCTEOSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H](C)N3CCCC3=O)CC2)C1 ZINC001046076317 766902097 /nfs/dbraw/zinc/90/20/97/766902097.db2.gz LSPIRHBZKUVZEI-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2csnn2)C1 ZINC001016777947 766903533 /nfs/dbraw/zinc/90/35/33/766903533.db2.gz IJATZEFNMLPXNW-YIZWMMSDSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2csnn2)C1 ZINC001016777947 766903541 /nfs/dbraw/zinc/90/35/41/766903541.db2.gz IJATZEFNMLPXNW-YIZWMMSDSA-N 1 1 347.444 0.355 20 30 ECEDMO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001089654732 766909039 /nfs/dbraw/zinc/90/90/39/766909039.db2.gz SQZQTUYOKIIDEY-HIFRSBDPSA-N 1 1 346.435 0.400 20 30 ECEDMO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001089654732 766909046 /nfs/dbraw/zinc/90/90/46/766909046.db2.gz SQZQTUYOKIIDEY-HIFRSBDPSA-N 1 1 346.435 0.400 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)C1 ZINC001046079709 766914437 /nfs/dbraw/zinc/91/44/37/766914437.db2.gz ZWWSJXCAUUGOFZ-HNNXBMFYSA-N 1 1 328.416 0.149 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)C1 ZINC001046079709 766914441 /nfs/dbraw/zinc/91/44/41/766914441.db2.gz ZWWSJXCAUUGOFZ-HNNXBMFYSA-N 1 1 328.416 0.149 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046079670 766914595 /nfs/dbraw/zinc/91/45/95/766914595.db2.gz ZOSNNOMMFYESQE-KGLIPLIRSA-N 1 1 340.855 0.236 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046079670 766914598 /nfs/dbraw/zinc/91/45/98/766914598.db2.gz ZOSNNOMMFYESQE-KGLIPLIRSA-N 1 1 340.855 0.236 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC001046080235 766915384 /nfs/dbraw/zinc/91/53/84/766915384.db2.gz CRZBRIOWLJHHGM-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000938445492 766916567 /nfs/dbraw/zinc/91/65/67/766916567.db2.gz RZTTXBYOOLBZGN-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000938445492 766916573 /nfs/dbraw/zinc/91/65/73/766916573.db2.gz RZTTXBYOOLBZGN-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000994829406 766918203 /nfs/dbraw/zinc/91/82/03/766918203.db2.gz MVWPTRGZHAKUKI-KQTLUZQSSA-N 1 1 344.415 0.821 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CCN(C(N)=O)CC3)CC2)C1 ZINC001046082341 766921741 /nfs/dbraw/zinc/92/17/41/766921741.db2.gz QUOVGZZPXKUSIU-MRXNPFEDSA-N 1 1 349.479 0.182 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC001046082674 766921880 /nfs/dbraw/zinc/92/18/80/766921880.db2.gz VKNLDXHZXABFHR-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)C1 ZINC001046082772 766922351 /nfs/dbraw/zinc/92/23/51/766922351.db2.gz WLAZVSKBLWVTMZ-QGZVFWFLSA-N 1 1 343.475 0.811 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC001046083082 766922712 /nfs/dbraw/zinc/92/27/12/766922712.db2.gz LBUSWBJQKSOSKK-QGZVFWFLSA-N 1 1 348.491 0.794 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC001046083060 766922789 /nfs/dbraw/zinc/92/27/89/766922789.db2.gz KCTZNUJOGJZAFN-QGZVFWFLSA-N 1 1 346.475 0.241 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC001046085060 766925914 /nfs/dbraw/zinc/92/59/14/766925914.db2.gz DLXARPZWAZNLPQ-WBVHZDCISA-N 1 1 343.475 0.919 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)N3CCCC3=O)CC2)C1 ZINC001046085176 766926504 /nfs/dbraw/zinc/92/65/04/766926504.db2.gz DRODLZCTTVNYNY-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC001046090111 766932180 /nfs/dbraw/zinc/93/21/80/766932180.db2.gz OBWCITMICOUZPV-OAHLLOKOSA-N 1 1 332.452 0.625 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3n[nH]nc3n1)CO2 ZINC001053824973 766947799 /nfs/dbraw/zinc/94/77/99/766947799.db2.gz JMBXKBDJCRGONE-LLVKDONJSA-N 1 1 328.376 0.502 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3ccnn31)CO2 ZINC001053827737 766957045 /nfs/dbraw/zinc/95/70/45/766957045.db2.gz HNEIGMRTAJPTSD-ZDUSSCGKSA-N 1 1 327.388 0.879 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001031740845 766986423 /nfs/dbraw/zinc/98/64/23/766986423.db2.gz LXQBSJCZEJZNJZ-HNNXBMFYSA-N 1 1 342.447 0.328 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(C3CC3)[nH]2)C1 ZINC001031740845 766986433 /nfs/dbraw/zinc/98/64/33/766986433.db2.gz LXQBSJCZEJZNJZ-HNNXBMFYSA-N 1 1 342.447 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccnc(OC)c2)C1 ZINC001031740890 766987223 /nfs/dbraw/zinc/98/72/23/766987223.db2.gz NFXCINMXJORJGS-KRWDZBQOSA-N 1 1 342.443 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccnc(OC)c2)C1 ZINC001031740890 766987224 /nfs/dbraw/zinc/98/72/24/766987224.db2.gz NFXCINMXJORJGS-KRWDZBQOSA-N 1 1 342.443 0.736 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]2O)c1 ZINC001083765080 766999549 /nfs/dbraw/zinc/99/95/49/766999549.db2.gz MHFIDRMEGCENJW-ZACQAIPSSA-N 1 1 329.400 0.407 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nnc(CC)[nH]2)C1 ZINC001031742741 767005298 /nfs/dbraw/zinc/00/52/98/767005298.db2.gz OSARFJOMKIWUQW-HIFRSBDPSA-N 1 1 344.463 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nnc(CC)[nH]2)C1 ZINC001031742741 767005310 /nfs/dbraw/zinc/00/53/10/767005310.db2.gz OSARFJOMKIWUQW-HIFRSBDPSA-N 1 1 344.463 0.574 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)CO2 ZINC001053849952 767015967 /nfs/dbraw/zinc/01/59/67/767015967.db2.gz YURMTIIZVFTVPE-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3cncn3C1)CO2 ZINC001053852713 767024363 /nfs/dbraw/zinc/02/43/63/767024363.db2.gz PDLJMVBDMRMFHC-CABCVRRESA-N 1 1 330.432 0.981 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)c[nH]1 ZINC000994854456 767035641 /nfs/dbraw/zinc/03/56/41/767035641.db2.gz KVOBCNJAALVXBA-HZPDHXFCSA-N 1 1 341.415 0.844 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001046220678 767089840 /nfs/dbraw/zinc/08/98/40/767089840.db2.gz VOUFIBBBFTVVPG-HKUYNNGSSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001046220678 767089850 /nfs/dbraw/zinc/08/98/50/767089850.db2.gz VOUFIBBBFTVVPG-HKUYNNGSSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046224457 767092542 /nfs/dbraw/zinc/09/25/42/767092542.db2.gz SKCKLURKXUMYBK-QAPCUYQASA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046224457 767092549 /nfs/dbraw/zinc/09/25/49/767092549.db2.gz SKCKLURKXUMYBK-QAPCUYQASA-N 1 1 341.415 0.867 20 30 ECEDMO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046241063 767104650 /nfs/dbraw/zinc/10/46/50/767104650.db2.gz WRWDENFIVPVSFZ-KRWDZBQOSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2nccs2)C1 ZINC000938756437 767107148 /nfs/dbraw/zinc/10/71/48/767107148.db2.gz PJHSDPFJZBXQIE-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2nccs2)C1 ZINC000938756437 767107150 /nfs/dbraw/zinc/10/71/50/767107150.db2.gz PJHSDPFJZBXQIE-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C#CC3CC3)C1)C2 ZINC000938826120 767124722 /nfs/dbraw/zinc/12/47/22/767124722.db2.gz BNIYVWZPOSTQLZ-CVEARBPZSA-N 1 1 340.427 0.884 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC000938826854 767125197 /nfs/dbraw/zinc/12/51/97/767125197.db2.gz LJZYJGFCGGTRGZ-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001089731155 767133942 /nfs/dbraw/zinc/13/39/42/767133942.db2.gz CMLZTPPGPMSRNR-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001046307609 767138639 /nfs/dbraw/zinc/13/86/39/767138639.db2.gz UCRDSCKUGDHGSU-CQSZACIVSA-N 1 1 335.448 0.374 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@H](OC)C1 ZINC001212287026 767152529 /nfs/dbraw/zinc/15/25/29/767152529.db2.gz IBBRRLVLHFFUCR-CHWSQXEVSA-N 1 1 342.827 0.705 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@H](OC)C1 ZINC001212287026 767152532 /nfs/dbraw/zinc/15/25/32/767152532.db2.gz IBBRRLVLHFFUCR-CHWSQXEVSA-N 1 1 342.827 0.705 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCC3(F)F)C2)C1=O ZINC001031758021 767160047 /nfs/dbraw/zinc/16/00/47/767160047.db2.gz MJRCJYGWSRCTBE-OLZOCXBDSA-N 1 1 327.375 0.867 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001046374673 767178889 /nfs/dbraw/zinc/17/88/89/767178889.db2.gz IZJLPDSGRDZLGM-QGZVFWFLSA-N 1 1 327.388 0.891 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001046392860 767191761 /nfs/dbraw/zinc/19/17/61/767191761.db2.gz LYPGLJOPRIQXPB-VHDGCEQUSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001046392860 767191764 /nfs/dbraw/zinc/19/17/64/767191764.db2.gz LYPGLJOPRIQXPB-VHDGCEQUSA-N 1 1 344.419 0.376 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001212315994 767206966 /nfs/dbraw/zinc/20/69/66/767206966.db2.gz DIICQLMDCZUIPK-BPLDGKMQSA-N 1 1 335.404 0.789 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CN=NC2=O)C1 ZINC001089795220 767220219 /nfs/dbraw/zinc/22/02/19/767220219.db2.gz LJJCOCUPWCRCLC-AJNGGQMLSA-N 1 1 329.404 0.176 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnn(C)c1N ZINC001089798421 767223016 /nfs/dbraw/zinc/22/30/16/767223016.db2.gz SUVVHLZNQQCADJ-HNKHHVNMSA-N 1 1 327.432 0.808 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001046445136 767229683 /nfs/dbraw/zinc/22/96/83/767229683.db2.gz AJDYLFXTSVXSIG-CQSZACIVSA-N 1 1 327.406 0.697 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001046466533 767243567 /nfs/dbraw/zinc/24/35/67/767243567.db2.gz MFBZCRWAVNVURT-QGZVFWFLSA-N 1 1 332.404 0.107 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn3nnnc3c1)CO2 ZINC001053891061 767248106 /nfs/dbraw/zinc/24/81/06/767248106.db2.gz PGWZJCDVSRNXER-CYBMUJFWSA-N 1 1 328.376 0.274 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)cc1 ZINC001046532726 767284029 /nfs/dbraw/zinc/28/40/29/767284029.db2.gz AXEAPMDIWAKOCK-IBGZPJMESA-N 1 1 340.427 0.887 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046539065 767290189 /nfs/dbraw/zinc/29/01/89/767290189.db2.gz NPEGQCUOQLPNHE-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046539065 767290190 /nfs/dbraw/zinc/29/01/90/767290190.db2.gz NPEGQCUOQLPNHE-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc(C2CC2)nn1 ZINC001089818382 767293988 /nfs/dbraw/zinc/29/39/88/767293988.db2.gz ADQQGLHFKUMHAM-DFGXFYAUSA-N 1 1 339.443 0.958 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001046573157 767316263 /nfs/dbraw/zinc/31/62/63/767316263.db2.gz HDFMPDYDLQLYDN-RDTXWAMCSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001046573157 767316266 /nfs/dbraw/zinc/31/62/66/767316266.db2.gz HDFMPDYDLQLYDN-RDTXWAMCSA-N 1 1 345.447 0.710 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089820578 767316313 /nfs/dbraw/zinc/31/63/13/767316313.db2.gz NWIKITYZXHEYKK-NXOAAHMSSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001046573156 767316317 /nfs/dbraw/zinc/31/63/17/767316317.db2.gz HDFMPDYDLQLYDN-KSSFIOAISA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001046573156 767316321 /nfs/dbraw/zinc/31/63/21/767316321.db2.gz HDFMPDYDLQLYDN-KSSFIOAISA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccnn2CCOC)C1 ZINC001089822946 767339070 /nfs/dbraw/zinc/33/90/70/767339070.db2.gz BKQTVYGFHLAYBM-QAETUUGQSA-N 1 1 342.443 0.945 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn2c(n1)COCC2 ZINC001089826771 767341318 /nfs/dbraw/zinc/34/13/18/767341318.db2.gz KUBMDLPXLMJAFQ-MPTYRVRUSA-N 1 1 340.427 0.829 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106147463 767370259 /nfs/dbraw/zinc/37/02/59/767370259.db2.gz PATHVSFWINOZIJ-LSDHHAIUSA-N 1 1 331.420 0.717 20 30 ECEDMO C#CCN1CC2(C1)C[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)CO2 ZINC001053925986 767379754 /nfs/dbraw/zinc/37/97/54/767379754.db2.gz TWLVMXASJDXQHX-KBXCAEBGSA-N 1 1 337.439 0.792 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046628811 767396708 /nfs/dbraw/zinc/39/67/08/767396708.db2.gz RBRLTJPLPIXMHM-VKJFTORMSA-N 1 1 326.400 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2C#N)C1 ZINC001046647512 767414886 /nfs/dbraw/zinc/41/48/86/767414886.db2.gz SDHQBVNNQXMMCU-LZWOXQAQSA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2C#N)C1 ZINC001046647512 767414890 /nfs/dbraw/zinc/41/48/90/767414890.db2.gz SDHQBVNNQXMMCU-LZWOXQAQSA-N 1 1 338.415 0.753 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2COC3(C[NH+](CC[C@@H](C)F)C3)C2)nn1 ZINC001053950108 767434237 /nfs/dbraw/zinc/43/42/37/767434237.db2.gz UWQMSHAHHLZDNE-OLZOCXBDSA-N 1 1 337.399 0.785 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001046671209 767450404 /nfs/dbraw/zinc/45/04/04/767450404.db2.gz CRQWMYBSWOXPGV-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001046678588 767466549 /nfs/dbraw/zinc/46/65/49/767466549.db2.gz SRHZIEFAGVTRNO-CRAIPNDOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001046678588 767466553 /nfs/dbraw/zinc/46/65/53/767466553.db2.gz SRHZIEFAGVTRNO-CRAIPNDOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccn(C)n3)C2)nn1 ZINC001098780239 767475626 /nfs/dbraw/zinc/47/56/26/767475626.db2.gz SRGGZNAHFFFHPQ-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106169772 767479122 /nfs/dbraw/zinc/47/91/22/767479122.db2.gz LLYUJWAUKAFTGI-HZPDHXFCSA-N 1 1 345.447 0.963 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046691443 767490650 /nfs/dbraw/zinc/49/06/50/767490650.db2.gz IVXLOGISHYATSV-GOEBONIOSA-N 1 1 349.475 0.642 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CCC1 ZINC001046691501 767491013 /nfs/dbraw/zinc/49/10/13/767491013.db2.gz JEIPZKGDGVGZNJ-LSDHHAIUSA-N 1 1 349.475 0.620 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046692747 767494915 /nfs/dbraw/zinc/49/49/15/767494915.db2.gz YRGKVOCWCJMUOT-KGLIPLIRSA-N 1 1 337.464 0.476 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001046695968 767501164 /nfs/dbraw/zinc/50/11/64/767501164.db2.gz OKZSVPBTCOFWJQ-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001046696722 767504711 /nfs/dbraw/zinc/50/47/11/767504711.db2.gz ZAXSSIJMJBFCJA-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3n[nH]nc3C1)CO2 ZINC001053982444 767526723 /nfs/dbraw/zinc/52/67/23/767526723.db2.gz JPEFIOMQVNMIHH-QWHCGFSZSA-N 1 1 331.420 0.445 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001054116693 767703071 /nfs/dbraw/zinc/70/30/71/767703071.db2.gz YBKICHDSFUJQDX-KRWDZBQOSA-N 1 1 329.404 0.560 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(CCOC)nn1)C2 ZINC001054129466 767723631 /nfs/dbraw/zinc/72/36/31/767723631.db2.gz RTLWPUVWJFVABL-KRWDZBQOSA-N 1 1 331.420 0.486 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](Cn1cccn1)N(C)C)C2 ZINC001054144721 767739698 /nfs/dbraw/zinc/73/96/98/767739698.db2.gz CNDIWGKDSGDNOC-IEBWSBKVSA-N 1 1 343.475 0.761 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001054165207 767764475 /nfs/dbraw/zinc/76/44/75/767764475.db2.gz BVZHBNRMOPFSMN-JTDSTZFVSA-N 1 1 347.459 0.747 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1nccnc1C(N)=O)C2 ZINC001054238341 767848350 /nfs/dbraw/zinc/84/83/50/767848350.db2.gz RAVRUXWTDMQTPM-SFHVURJKSA-N 1 1 341.415 0.527 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001042042295 782660364 /nfs/dbraw/zinc/66/03/64/782660364.db2.gz DPBQFTBAKXXRIY-SJORKVTESA-N 1 1 329.444 0.945 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)C1 ZINC001055064438 768552211 /nfs/dbraw/zinc/55/22/11/768552211.db2.gz OMSOGXITCIXFJU-OJLVUWQFSA-N 1 1 340.431 0.916 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001018069359 768683854 /nfs/dbraw/zinc/68/38/54/768683854.db2.gz POAYMGGDXQLARK-GASCZTMLSA-N 1 1 346.431 0.568 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001099246376 768700518 /nfs/dbraw/zinc/70/05/18/768700518.db2.gz TYEVFLSAQJDYDG-CHWSQXEVSA-N 1 1 329.466 0.164 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001055313208 768768715 /nfs/dbraw/zinc/76/87/15/768768715.db2.gz GRKQJUICHBPYKQ-OAFZBRQQSA-N 1 1 349.475 0.715 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001055338068 768794349 /nfs/dbraw/zinc/79/43/49/768794349.db2.gz NHFYNMFIDVXUBW-ZACQAIPSSA-N 1 1 347.459 0.427 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993354815 768853467 /nfs/dbraw/zinc/85/34/67/768853467.db2.gz UCEVVDBTSCYEBJ-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993354815 768853477 /nfs/dbraw/zinc/85/34/77/768853477.db2.gz UCEVVDBTSCYEBJ-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H]1C ZINC000993356437 768857514 /nfs/dbraw/zinc/85/75/14/768857514.db2.gz WVOWRGQMRJMTFE-ZIAGYGMSSA-N 1 1 333.432 0.764 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC000993370507 768898446 /nfs/dbraw/zinc/89/84/46/768898446.db2.gz WEIHFMUIQUKWNS-UONOGXRCSA-N 1 1 332.452 0.963 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001018214527 768900028 /nfs/dbraw/zinc/90/00/28/768900028.db2.gz SDUMSTXRWKGYIR-VNHYZAJKSA-N 1 1 327.450 0.320 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001018214527 768900038 /nfs/dbraw/zinc/90/00/38/768900038.db2.gz SDUMSTXRWKGYIR-VNHYZAJKSA-N 1 1 327.450 0.320 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC000993397099 768959363 /nfs/dbraw/zinc/95/93/63/768959363.db2.gz PJFDCECXHATDKX-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CCOCCC(=O)NC1CC[NH+](CCNC(=O)c2ccoc2)CC1 ZINC001055517564 768990661 /nfs/dbraw/zinc/99/06/61/768990661.db2.gz IROWKBXFUANTCA-UHFFFAOYSA-N 1 1 347.415 0.630 20 30 ECEDMO CS[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055528914 769011885 /nfs/dbraw/zinc/01/18/85/769011885.db2.gz KFIPOBKHWDDIDB-NEPJUHHUSA-N 1 1 326.466 0.594 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2nccnc2N)CC1 ZINC001055546614 769084675 /nfs/dbraw/zinc/08/46/75/769084675.db2.gz FEVSFAXWUMQLEN-UHFFFAOYSA-N 1 1 346.435 0.335 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2ccon2)CC1 ZINC001055573318 769152851 /nfs/dbraw/zinc/15/28/51/769152851.db2.gz AJQDZGAJPHPZRS-UHFFFAOYSA-N 1 1 330.388 0.398 20 30 ECEDMO CC(C)(C)C(=O)C(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055574221 769157933 /nfs/dbraw/zinc/15/79/33/769157933.db2.gz XCZQFVSDPQQMBF-UHFFFAOYSA-N 1 1 347.459 0.712 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C ZINC000993503098 769184310 /nfs/dbraw/zinc/18/43/10/769184310.db2.gz AWXCADSFMLDRHP-HZPDHXFCSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc[nH]n3)C2)CC1 ZINC001018359940 769191882 /nfs/dbraw/zinc/19/18/82/769191882.db2.gz RFOCFRDKQVXLBB-HNNXBMFYSA-N 1 1 343.431 0.429 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)CC1 ZINC001018366176 769212043 /nfs/dbraw/zinc/21/20/43/769212043.db2.gz KTMHUTVZUFVZQN-IAGOWNOFSA-N 1 1 349.475 0.409 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3ccc(OC)nn32)[C@H]1C ZINC000993522684 769221604 /nfs/dbraw/zinc/22/16/04/769221604.db2.gz QDTGLKIXBYVSIU-CHWSQXEVSA-N 1 1 327.388 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3ccc(OC)nn32)[C@H]1C ZINC000993522684 769221612 /nfs/dbraw/zinc/22/16/12/769221612.db2.gz QDTGLKIXBYVSIU-CHWSQXEVSA-N 1 1 327.388 0.954 20 30 ECEDMO CC#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622594 769280421 /nfs/dbraw/zinc/28/04/21/769280421.db2.gz RCFSGQUZPTXBRF-UHFFFAOYSA-N 1 1 347.419 0.574 20 30 ECEDMO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cccnn2)CC1 ZINC001055623305 769283678 /nfs/dbraw/zinc/28/36/78/769283678.db2.gz BPIPTPAVJXQMGH-UHFFFAOYSA-N 1 1 345.447 0.999 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2nccs2)CC1 ZINC001055631550 769302989 /nfs/dbraw/zinc/30/29/89/769302989.db2.gz ICSGPAUUHLLSST-LLVKDONJSA-N 1 1 335.433 0.613 20 30 ECEDMO CCc1nocc1C(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055632170 769305942 /nfs/dbraw/zinc/30/59/42/769305942.db2.gz PWYYXBKENACFPY-LBPRGKRZSA-N 1 1 347.419 0.707 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001055632543 769308727 /nfs/dbraw/zinc/30/87/27/769308727.db2.gz XTCJMVVRILZCGB-CQSZACIVSA-N 1 1 349.479 0.185 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC000993564819 769323557 /nfs/dbraw/zinc/32/35/57/769323557.db2.gz HCOASJNJKMTJIE-ZIAGYGMSSA-N 1 1 334.420 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC000993564816 769323575 /nfs/dbraw/zinc/32/35/75/769323575.db2.gz HCOASJNJKMTJIE-KGLIPLIRSA-N 1 1 334.420 0.884 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC000993589652 769378995 /nfs/dbraw/zinc/37/89/95/769378995.db2.gz LLMDDJVBRLPEIA-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H]1C ZINC000993593054 769385734 /nfs/dbraw/zinc/38/57/34/769385734.db2.gz XFWDXLPOUHWQFJ-GJZGRUSLSA-N 1 1 346.431 0.496 20 30 ECEDMO CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078358311 782766862 /nfs/dbraw/zinc/76/68/62/782766862.db2.gz NROWDEVQQVKZMY-UONOGXRCSA-N 1 1 334.424 0.726 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)[C@@H]2C)c1 ZINC000993774042 769598665 /nfs/dbraw/zinc/59/86/65/769598665.db2.gz SNQPUJIMQGQACV-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)c1 ZINC000993774042 769598677 /nfs/dbraw/zinc/59/86/77/769598677.db2.gz SNQPUJIMQGQACV-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CCCC)C1 ZINC001055775000 769672330 /nfs/dbraw/zinc/67/23/30/769672330.db2.gz GMCSDQXNFUWTLA-LPHOPBHVSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CCCC)C1 ZINC001055775000 769672335 /nfs/dbraw/zinc/67/23/35/769672335.db2.gz GMCSDQXNFUWTLA-LPHOPBHVSA-N 1 1 349.475 0.744 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1 ZINC001018631746 769683764 /nfs/dbraw/zinc/68/37/64/769683764.db2.gz JTSSVFBEHPWEJW-QWRGUYRKSA-N 1 1 325.390 0.533 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCCO2)[nH]1 ZINC001078358906 782769975 /nfs/dbraw/zinc/76/99/75/782769975.db2.gz YMCLHHCVFNMZOT-OLZOCXBDSA-N 1 1 334.424 0.795 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1C ZINC001078359775 782771687 /nfs/dbraw/zinc/77/16/87/782771687.db2.gz DRHUYTXDWLQMQZ-CHWSQXEVSA-N 1 1 334.424 0.244 20 30 ECEDMO CCCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078360315 782773228 /nfs/dbraw/zinc/77/32/28/782773228.db2.gz QBQZFARCWDHWQE-UKRRQHHQSA-N 1 1 348.451 0.863 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C1CC1 ZINC001018730408 769818454 /nfs/dbraw/zinc/81/84/54/769818454.db2.gz AQBOBAUGSLMMPL-JQWIXIFHSA-N 1 1 340.391 0.773 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1C ZINC000993913919 769871835 /nfs/dbraw/zinc/87/18/35/769871835.db2.gz FMYFTTUAXOKQBY-CHWSQXEVSA-N 1 1 330.392 0.046 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H]1C ZINC000993989869 769970786 /nfs/dbraw/zinc/97/07/86/769970786.db2.gz PVWAPYZBFCDFCC-GJZGRUSLSA-N 1 1 348.451 0.724 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]([NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC001018826617 770016548 /nfs/dbraw/zinc/01/65/48/770016548.db2.gz IPKHJRXALYMABT-AWEZNQCLSA-N 1 1 344.419 0.129 20 30 ECEDMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1 ZINC001078373761 782798999 /nfs/dbraw/zinc/79/89/99/782798999.db2.gz IMNOEQXXNYYQSA-ZDUSSCGKSA-N 1 1 343.391 0.036 20 30 ECEDMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1 ZINC001078374058 782800429 /nfs/dbraw/zinc/80/04/29/782800429.db2.gz PXTFDVSWJUXGLH-CYBMUJFWSA-N 1 1 343.391 0.036 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@@H]21 ZINC001042120733 782805928 /nfs/dbraw/zinc/80/59/28/782805928.db2.gz ZRIVIXZBQVYHQJ-AAEUAGOBSA-N 1 1 337.401 0.097 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001055906465 770168405 /nfs/dbraw/zinc/16/84/05/770168405.db2.gz KGOZQAGILPSFEP-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCO[C@H](C[NH2+]Cc3ncccn3)C2)[nH]1 ZINC001078382984 782817502 /nfs/dbraw/zinc/81/75/02/782817502.db2.gz XXFNEWQCFRXLQY-CQSZACIVSA-N 1 1 340.387 0.697 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001042128956 782817813 /nfs/dbraw/zinc/81/78/13/782817813.db2.gz CILNITQWKHRFKX-ZBFHGGJFSA-N 1 1 328.416 0.979 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C ZINC000994164457 770232962 /nfs/dbraw/zinc/23/29/62/770232962.db2.gz GUOKMGKDIBJCBS-KGLIPLIRSA-N 1 1 336.436 0.864 20 30 ECEDMO N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)cn1 ZINC001055928265 770250432 /nfs/dbraw/zinc/25/04/32/770250432.db2.gz OWTBDGHJGVPBSH-AWEZNQCLSA-N 1 1 337.387 0.771 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC000994212607 770317122 /nfs/dbraw/zinc/31/71/22/770317122.db2.gz QFIAJAZRJORFPA-NEPJUHHUSA-N 1 1 330.392 0.576 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@](CO)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001055953973 770349390 /nfs/dbraw/zinc/34/93/90/770349390.db2.gz MDLMJOCKGSIGOV-BEFAXECRSA-N 1 1 349.475 0.764 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@@](CO)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001055953974 770350043 /nfs/dbraw/zinc/35/00/43/770350043.db2.gz MDLMJOCKGSIGOV-DNVCBOLYSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC001018949724 770361060 /nfs/dbraw/zinc/36/10/60/770361060.db2.gz LMPSYCWUOJJIRH-GJZGRUSLSA-N 1 1 331.420 0.320 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001106866496 770412278 /nfs/dbraw/zinc/41/22/78/770412278.db2.gz WWOWGGIDTMOYFC-ZDUSSCGKSA-N 1 1 339.403 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(CC)o2)C1 ZINC001018986152 770485437 /nfs/dbraw/zinc/48/54/37/770485437.db2.gz SGZJUAHNQDYSTN-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnc(CC)o2)C1 ZINC001018986152 770485441 /nfs/dbraw/zinc/48/54/41/770485441.db2.gz SGZJUAHNQDYSTN-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127411801 770507569 /nfs/dbraw/zinc/50/75/69/770507569.db2.gz ONTGXFFKIVOVQD-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001056020739 770578460 /nfs/dbraw/zinc/57/84/60/770578460.db2.gz XFVRMROXXKMMCQ-CQSZACIVSA-N 1 1 342.447 0.901 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001056060802 770710033 /nfs/dbraw/zinc/71/00/33/770710033.db2.gz ORYDZCHDNZUZLS-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C)nc(CO)n2)CC1 ZINC001056067226 770731598 /nfs/dbraw/zinc/73/15/98/770731598.db2.gz AIPBBCQXMBEPCY-HNNXBMFYSA-N 1 1 343.431 0.024 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C)nc(CO)n2)CC1 ZINC001056067226 770731602 /nfs/dbraw/zinc/73/16/02/770731602.db2.gz AIPBBCQXMBEPCY-HNNXBMFYSA-N 1 1 343.431 0.024 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001056068242 770734766 /nfs/dbraw/zinc/73/47/66/770734766.db2.gz RWYQBKWGBCZFDT-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@@H]21 ZINC001042163738 782879277 /nfs/dbraw/zinc/87/92/77/782879277.db2.gz ZBBSNZYNETXRQH-HOTGVXAUSA-N 1 1 347.463 0.861 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@@H]2O)C1 ZINC001083756361 770985362 /nfs/dbraw/zinc/98/53/62/770985362.db2.gz QAJOBRIAUZXXMH-CVEARBPZSA-N 1 1 343.427 0.803 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@@H]2O)C1 ZINC001083756361 770985371 /nfs/dbraw/zinc/98/53/71/770985371.db2.gz QAJOBRIAUZXXMH-CVEARBPZSA-N 1 1 343.427 0.803 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)C1 ZINC001056252331 771043759 /nfs/dbraw/zinc/04/37/59/771043759.db2.gz CKEYEMZMXRWLMO-HVOFVXBASA-N 1 1 326.404 0.241 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)C[C@@H]21 ZINC001042173302 782889862 /nfs/dbraw/zinc/88/98/62/782889862.db2.gz NTXXAMWVWVEWIK-GJZGRUSLSA-N 1 1 339.399 0.052 20 30 ECEDMO CN1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1=O ZINC001019262216 771073139 /nfs/dbraw/zinc/07/31/39/771073139.db2.gz MZRVDICIOUKXRS-JKSUJKDBSA-N 1 1 344.390 0.866 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC(C)(C)C1 ZINC001089427524 771141108 /nfs/dbraw/zinc/14/11/08/771141108.db2.gz RFKCYXRHFUQMNT-CQSZACIVSA-N 1 1 335.452 0.765 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C[N@H+](C)CCC ZINC001056401816 771227239 /nfs/dbraw/zinc/22/72/39/771227239.db2.gz LAKHTGDZJXTMTA-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056402885 771229499 /nfs/dbraw/zinc/22/94/99/771229499.db2.gz SVGHIBNTZGMKKH-BRWVUGGUSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC[N@H+](C)CC ZINC001056403463 771231024 /nfs/dbraw/zinc/23/10/24/771231024.db2.gz YKQIXPWUIICNEZ-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ncc(C#N)cc4F)C[C@H]32)C1 ZINC001056410417 771241844 /nfs/dbraw/zinc/24/18/44/771241844.db2.gz LBFZXXRACPKAGQ-CVGURMSBSA-N 1 1 343.406 0.985 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001056413651 771245833 /nfs/dbraw/zinc/24/58/33/771245833.db2.gz TUROXJSQJHNQLG-CVGURMSBSA-N 1 1 326.404 0.383 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001031595324 771366252 /nfs/dbraw/zinc/36/62/52/771366252.db2.gz UPOIKEVFAHKNJI-QGZVFWFLSA-N 1 1 346.406 0.576 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001031595324 771366257 /nfs/dbraw/zinc/36/62/57/771366257.db2.gz UPOIKEVFAHKNJI-QGZVFWFLSA-N 1 1 346.406 0.576 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001060733785 771372776 /nfs/dbraw/zinc/37/27/76/771372776.db2.gz YOEYHWWGBCOWJN-NXOAAHMSSA-N 1 1 349.475 0.768 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ncccc3C)C2)C1=O ZINC001031606675 771411048 /nfs/dbraw/zinc/41/10/48/771411048.db2.gz RWCCIANPTSDUSZ-HNNXBMFYSA-N 1 1 328.416 0.839 20 30 ECEDMO C=CCCC(=O)N1CCC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001056621388 771440756 /nfs/dbraw/zinc/44/07/56/771440756.db2.gz YIUCJWMAEQVWQB-ARFHVFGLSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCCC(=O)N1CCC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001056621388 771440758 /nfs/dbraw/zinc/44/07/58/771440758.db2.gz YIUCJWMAEQVWQB-ARFHVFGLSA-N 1 1 335.448 0.733 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)c(C)n3)C2)C1 ZINC001056648128 771467167 /nfs/dbraw/zinc/46/71/67/771467167.db2.gz HPEIGYWKZWHXBD-HZPDHXFCSA-N 1 1 343.431 0.995 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)c(C)n3)C2)C1 ZINC001056648128 771467170 /nfs/dbraw/zinc/46/71/70/771467170.db2.gz HPEIGYWKZWHXBD-HZPDHXFCSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC(C)(C)C1 ZINC001089555372 771471475 /nfs/dbraw/zinc/47/14/75/771471475.db2.gz JUYCZHNAXXWSLV-CYBMUJFWSA-N 1 1 334.420 0.120 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)CC(C)(C)C1 ZINC001089555940 771473987 /nfs/dbraw/zinc/47/39/87/771473987.db2.gz OCOJTYMMKVKKGG-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC001056666660 771490535 /nfs/dbraw/zinc/49/05/35/771490535.db2.gz WXVIQCSECLUHGE-YYIAUSFCSA-N 1 1 347.459 0.568 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC(C)(C)C1 ZINC001089565259 771512569 /nfs/dbraw/zinc/51/25/69/771512569.db2.gz QIAYFLZMWSZKHU-ZDUSSCGKSA-N 1 1 348.451 0.560 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(F)cn3)C2)C1=O ZINC001031626822 771522352 /nfs/dbraw/zinc/52/23/52/771522352.db2.gz WPDBFEDDZGNKBO-HNNXBMFYSA-N 1 1 332.379 0.669 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccnn3CC)C2)C1=O ZINC001031632834 771545673 /nfs/dbraw/zinc/54/56/73/771545673.db2.gz ILKJTNWKOPXIOH-HNNXBMFYSA-N 1 1 331.420 0.352 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001056761008 771602737 /nfs/dbraw/zinc/60/27/37/771602737.db2.gz WNJXUWSWDYHAAO-HIFRSBDPSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001056761008 771602738 /nfs/dbraw/zinc/60/27/38/771602738.db2.gz WNJXUWSWDYHAAO-HIFRSBDPSA-N 1 1 344.419 0.470 20 30 ECEDMO NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C1 ZINC001042210002 782941353 /nfs/dbraw/zinc/94/13/53/782941353.db2.gz FMWFEBICPUKUTA-GOEBONIOSA-N 1 1 329.375 0.585 20 30 ECEDMO NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C1 ZINC001042210002 782941358 /nfs/dbraw/zinc/94/13/58/782941358.db2.gz FMWFEBICPUKUTA-GOEBONIOSA-N 1 1 329.375 0.585 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3ncccc3C#N)C2)O1 ZINC001056812249 771675770 /nfs/dbraw/zinc/67/57/70/771675770.db2.gz RMPVHWLUHKWAOJ-BPLDGKMQSA-N 1 1 329.404 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3ncccc3C#N)C2)O1 ZINC001056812249 771675775 /nfs/dbraw/zinc/67/57/75/771675775.db2.gz RMPVHWLUHKWAOJ-BPLDGKMQSA-N 1 1 329.404 0.685 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2nonc2C)C1 ZINC001019673183 771701718 /nfs/dbraw/zinc/70/17/18/771701718.db2.gz FIJSOQDVOYRVLH-ZDUSSCGKSA-N 1 1 341.371 0.789 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3CCC)C2)cn1 ZINC001019675419 771703745 /nfs/dbraw/zinc/70/37/45/771703745.db2.gz OGESQADKMVKQGJ-HNNXBMFYSA-N 1 1 339.403 0.464 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cccs1 ZINC001056846633 771714612 /nfs/dbraw/zinc/71/46/12/771714612.db2.gz HOCHIBMKJDAULS-AWEZNQCLSA-N 1 1 349.456 0.396 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cccs1 ZINC001056846633 771714617 /nfs/dbraw/zinc/71/46/17/771714617.db2.gz HOCHIBMKJDAULS-AWEZNQCLSA-N 1 1 349.456 0.396 20 30 ECEDMO Cc1nsc(N(C)[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001056880170 771757677 /nfs/dbraw/zinc/75/76/77/771757677.db2.gz WOLPHWJKZPLFEM-OCCSQVGLSA-N 1 1 349.460 0.691 20 30 ECEDMO Cc1nsc(N(C)[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001056880170 771757679 /nfs/dbraw/zinc/75/76/79/771757679.db2.gz WOLPHWJKZPLFEM-OCCSQVGLSA-N 1 1 349.460 0.691 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CCc3cnn(C)c3)C2)CC1 ZINC001019815527 771831123 /nfs/dbraw/zinc/83/11/23/771831123.db2.gz IHWPONZGBMYPIE-SFHVURJKSA-N 1 1 343.475 0.498 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 ZINC001056989562 771916263 /nfs/dbraw/zinc/91/62/63/771916263.db2.gz SRMPYIFBPOPNKL-CYBMUJFWSA-N 1 1 325.376 0.591 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3ccc(C#N)nn3)C2)C1 ZINC001057029553 771966514 /nfs/dbraw/zinc/96/65/14/771966514.db2.gz PTYYBGXOQCZENA-UKRRQHHQSA-N 1 1 328.420 0.727 20 30 ECEDMO COCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001020084544 772138866 /nfs/dbraw/zinc/13/88/66/772138866.db2.gz HFEAJLVIXHCDRG-XYPYZODXSA-N 1 1 330.348 0.466 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]21 ZINC001042252914 782988499 /nfs/dbraw/zinc/98/84/99/782988499.db2.gz BHNVMPWYEGFSRO-KBPBESRZSA-N 1 1 326.462 0.756 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]21 ZINC001042252914 782988502 /nfs/dbraw/zinc/98/85/02/782988502.db2.gz BHNVMPWYEGFSRO-KBPBESRZSA-N 1 1 326.462 0.756 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C[C@H]21 ZINC001042254610 782989408 /nfs/dbraw/zinc/98/94/08/782989408.db2.gz MOUGFJMRKNGHPH-DZGCQCFKSA-N 1 1 346.431 0.197 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001020158568 772228377 /nfs/dbraw/zinc/22/83/77/772228377.db2.gz DEFPGKRIJNYXPY-WHOFXGATSA-N 1 1 329.404 0.700 20 30 ECEDMO C#CCCCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057214307 772291285 /nfs/dbraw/zinc/29/12/85/772291285.db2.gz XVOSJQBPHUUXOW-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C)[C@H]3C2)nn1 ZINC001042263642 783001223 /nfs/dbraw/zinc/00/12/23/783001223.db2.gz WVBZFAKLGFDJJJ-HIFRSBDPSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)nn1 ZINC001042263642 783001227 /nfs/dbraw/zinc/00/12/27/783001227.db2.gz WVBZFAKLGFDJJJ-HIFRSBDPSA-N 1 1 346.435 0.089 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057234684 772319508 /nfs/dbraw/zinc/31/95/08/772319508.db2.gz LNSBZRCBSCORNU-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C)nn1 ZINC001020269234 772375890 /nfs/dbraw/zinc/37/58/90/772375890.db2.gz LHEZPZBWOUWVAP-YDHLFZDLSA-N 1 1 346.435 0.278 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001020271428 772380022 /nfs/dbraw/zinc/38/00/22/772380022.db2.gz SMZIMAUIDAADPA-OBJOEFQTSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)c1ccc(C#N)[nH]1 ZINC001078471345 783013247 /nfs/dbraw/zinc/01/32/47/783013247.db2.gz PYWLXXXXHASVJR-OLZOCXBDSA-N 1 1 331.420 0.853 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001057524132 772715565 /nfs/dbraw/zinc/71/55/65/772715565.db2.gz AGXFXYOZFIFZNO-INIZCTEOSA-N 1 1 337.464 0.456 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057599249 772795772 /nfs/dbraw/zinc/79/57/72/772795772.db2.gz WHVKZIQGASXJDY-DLBZAZTESA-N 1 1 349.475 0.457 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001057599207 772795780 /nfs/dbraw/zinc/79/57/80/772795780.db2.gz UXQUKJQTOMPSQO-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO Cc1nc(N[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001057600911 772797919 /nfs/dbraw/zinc/79/79/19/772797919.db2.gz IPFAVEOTYCJAES-HZPDHXFCSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1nc(N[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001057600911 772797922 /nfs/dbraw/zinc/79/79/22/772797922.db2.gz IPFAVEOTYCJAES-HZPDHXFCSA-N 1 1 343.431 0.995 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001057603002 772802161 /nfs/dbraw/zinc/80/21/61/772802161.db2.gz ZVITWUSFHYBDPQ-JKSUJKDBSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001057603002 772802162 /nfs/dbraw/zinc/80/21/62/772802162.db2.gz ZVITWUSFHYBDPQ-JKSUJKDBSA-N 1 1 329.404 0.687 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](Nc2cncc(C#N)n2)C1 ZINC001057652744 772868512 /nfs/dbraw/zinc/86/85/12/772868512.db2.gz GXZLUYFONUOIBK-ZDUSSCGKSA-N 1 1 325.376 0.956 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001057668076 772891237 /nfs/dbraw/zinc/89/12/37/772891237.db2.gz OIXCDENIYITAFJ-KBPBESRZSA-N 1 1 328.420 0.515 20 30 ECEDMO C=CCC(CC=C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001057680437 772906942 /nfs/dbraw/zinc/90/69/42/772906942.db2.gz GCYZMJXIWPZYBP-INIZCTEOSA-N 1 1 337.464 0.786 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(c2nccnc2C#N)CC1 ZINC001057785552 772981228 /nfs/dbraw/zinc/98/12/28/772981228.db2.gz HURHXNXHSLXEAS-HNNXBMFYSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057786052 772981745 /nfs/dbraw/zinc/98/17/45/772981745.db2.gz DIJZSKPHVCBFBP-OAHLLOKOSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057786052 772981746 /nfs/dbraw/zinc/98/17/46/772981746.db2.gz DIJZSKPHVCBFBP-OAHLLOKOSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001057821818 773031899 /nfs/dbraw/zinc/03/18/99/773031899.db2.gz UMMSSTLWZLVSQG-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057854448 773075453 /nfs/dbraw/zinc/07/54/53/773075453.db2.gz ILDGKRRUMSBQAU-MRXNPFEDSA-N 1 1 335.448 0.211 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ncccc3C#N)CC2)C1 ZINC001057875879 773112729 /nfs/dbraw/zinc/11/27/29/773112729.db2.gz PSAJUYOXVKEDGY-MRXNPFEDSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ncccc3C#N)CC2)C1 ZINC001057875879 773112730 /nfs/dbraw/zinc/11/27/30/773112730.db2.gz PSAJUYOXVKEDGY-MRXNPFEDSA-N 1 1 343.431 0.759 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(=O)[nH]3)C2)c1 ZINC001076840901 783079818 /nfs/dbraw/zinc/07/98/18/783079818.db2.gz GNEMRMUXFALSAI-HZPDHXFCSA-N 1 1 338.367 0.634 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(=O)[nH]3)C2)c1 ZINC001076840901 783079824 /nfs/dbraw/zinc/07/98/24/783079824.db2.gz GNEMRMUXFALSAI-HZPDHXFCSA-N 1 1 338.367 0.634 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CCN(c2cncc(C#N)n2)CC1 ZINC001057946277 773246518 /nfs/dbraw/zinc/24/65/18/773246518.db2.gz XTOQIEMCQPEHED-CYBMUJFWSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(C)=C1CCC1 ZINC001057961332 773292267 /nfs/dbraw/zinc/29/22/67/773292267.db2.gz SCHOPLPYXURCQS-KRWDZBQOSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(C)=C1CCC1 ZINC001057961332 773292274 /nfs/dbraw/zinc/29/22/74/773292274.db2.gz SCHOPLPYXURCQS-KRWDZBQOSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C/C=C(\C)C=C ZINC001057961988 773293847 /nfs/dbraw/zinc/29/38/47/773293847.db2.gz BYWUKHBBPNYPEC-BDBSJLECSA-N 1 1 347.459 0.544 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C/C=C(\C)C=C ZINC001057961988 773293851 /nfs/dbraw/zinc/29/38/51/773293851.db2.gz BYWUKHBBPNYPEC-BDBSJLECSA-N 1 1 347.459 0.544 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001057962321 773294467 /nfs/dbraw/zinc/29/44/67/773294467.db2.gz QVPLDDLBSFPRJK-HZMVEIRTSA-N 1 1 347.459 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001057962321 773294472 /nfs/dbraw/zinc/29/44/72/773294472.db2.gz QVPLDDLBSFPRJK-HZMVEIRTSA-N 1 1 347.459 0.067 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCCC=C ZINC001057962443 773295341 /nfs/dbraw/zinc/29/53/41/773295341.db2.gz WRCZPFAPHZMIFT-INIZCTEOSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCCC=C ZINC001057962443 773295346 /nfs/dbraw/zinc/29/53/46/773295346.db2.gz WRCZPFAPHZMIFT-INIZCTEOSA-N 1 1 335.448 0.377 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057972438 773315123 /nfs/dbraw/zinc/31/51/23/773315123.db2.gz DOZBPTSEQWAKOB-OAHLLOKOSA-N 1 1 328.420 0.918 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058113078 773559370 /nfs/dbraw/zinc/55/93/70/773559370.db2.gz VNPUMODFKKDULA-AWEZNQCLSA-N 1 1 336.436 0.731 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058157940 773659432 /nfs/dbraw/zinc/65/94/32/773659432.db2.gz LIGSHFPYWAQMCD-OAHLLOKOSA-N 1 1 339.480 0.868 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058176767 773707709 /nfs/dbraw/zinc/70/77/09/773707709.db2.gz GJJWPJALEGUIFP-ZFWWWQNUSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)O1 ZINC001058263857 773875653 /nfs/dbraw/zinc/87/56/53/773875653.db2.gz BSKRJGPBMSFTNE-UMVBOHGHSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)O1 ZINC001058263857 773875659 /nfs/dbraw/zinc/87/56/59/773875659.db2.gz BSKRJGPBMSFTNE-UMVBOHGHSA-N 1 1 344.419 0.152 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001058273502 773899871 /nfs/dbraw/zinc/89/98/71/773899871.db2.gz NRABJKDBRWXXCT-KRWDZBQOSA-N 1 1 343.427 0.313 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001040639473 783156485 /nfs/dbraw/zinc/15/64/85/783156485.db2.gz CCDOCBJDQLIJHY-DZGCQCFKSA-N 1 1 337.387 0.591 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001040639531 783156860 /nfs/dbraw/zinc/15/68/60/783156860.db2.gz DZVSELWVEZMGAS-UONOGXRCSA-N 1 1 337.387 0.591 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 ZINC001058447204 774200211 /nfs/dbraw/zinc/20/02/11/774200211.db2.gz SHDXOVXYBLCAJV-HIFRSBDPSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCC1(C)C ZINC001058458498 774221081 /nfs/dbraw/zinc/22/10/81/774221081.db2.gz BCNAHXPEAUQLPU-HOTGVXAUSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCC1(C)C ZINC001058458498 774221087 /nfs/dbraw/zinc/22/10/87/774221087.db2.gz BCNAHXPEAUQLPU-HOTGVXAUSA-N 1 1 349.475 0.457 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001058463576 774232818 /nfs/dbraw/zinc/23/28/18/774232818.db2.gz CFVUWSWXGBEIQX-CABCVRRESA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001058464218 774234361 /nfs/dbraw/zinc/23/43/61/774234361.db2.gz QYPWLNMZPAIDIK-HNNXBMFYSA-N 1 1 327.469 0.868 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)C1 ZINC001058522073 774354941 /nfs/dbraw/zinc/35/49/41/774354941.db2.gz ZQZFGMOXJLGFDX-DZGCQCFKSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)C1 ZINC001058522073 774354950 /nfs/dbraw/zinc/35/49/50/774354950.db2.gz ZQZFGMOXJLGFDX-DZGCQCFKSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncncc2Cl)C1 ZINC001058590211 774492060 /nfs/dbraw/zinc/49/20/60/774492060.db2.gz WYWWDJJJQSAZEC-JSGCOSHPSA-N 1 1 333.823 0.923 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncncc2Cl)C1 ZINC001058590211 774492063 /nfs/dbraw/zinc/49/20/63/774492063.db2.gz WYWWDJJJQSAZEC-JSGCOSHPSA-N 1 1 333.823 0.923 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001040652320 783185571 /nfs/dbraw/zinc/18/55/71/783185571.db2.gz GCINYJSWMOLHIS-TXPKVOOTSA-N 1 1 349.475 0.456 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(c1cncc(C#N)n1)CC2 ZINC001058627316 774566681 /nfs/dbraw/zinc/56/66/81/774566681.db2.gz NZXWJBWKDFNUIY-HUUCEWRRSA-N 1 1 340.431 0.918 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C)no3)C[C@@H]2C)nn1 ZINC001044773451 774595306 /nfs/dbraw/zinc/59/53/06/774595306.db2.gz FURZAJPGKRCJBB-WCQYABFASA-N 1 1 345.407 0.938 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C#CC(C)(C)C)C2)CC[N@H+]1C ZINC001039857994 783199113 /nfs/dbraw/zinc/19/91/13/783199113.db2.gz JLZSSSWCXHGGSY-SPYBWZPUSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039859015 783201727 /nfs/dbraw/zinc/20/17/27/783201727.db2.gz XEAPXDPHBIBONW-MDZRGWNJSA-N 1 1 349.475 0.600 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001045003116 774821879 /nfs/dbraw/zinc/82/18/79/774821879.db2.gz MMHXVUNOEXMJDZ-IYBDPMFKSA-N 1 1 349.475 0.742 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2cnc[nH]2)C1=O ZINC001045062343 774917933 /nfs/dbraw/zinc/91/79/33/774917933.db2.gz YKWNGJFSKNQIBC-HOTGVXAUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001045068273 774926965 /nfs/dbraw/zinc/92/69/65/774926965.db2.gz CSYFBSHRGZALMG-AWEZNQCLSA-N 1 1 325.453 0.618 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001045069638 774930432 /nfs/dbraw/zinc/93/04/32/774930432.db2.gz YKFNTBPYOXLIPX-CABCVRRESA-N 1 1 337.464 0.620 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001045069718 774930454 /nfs/dbraw/zinc/93/04/54/774930454.db2.gz ZZAGIEYAOKLQNP-CABCVRRESA-N 1 1 337.464 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H](C=C)CC)C1 ZINC001045072777 774934632 /nfs/dbraw/zinc/93/46/32/774934632.db2.gz RDPSJJBEBOOICE-HOTGVXAUSA-N 1 1 347.459 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H](C=C)CC)C1 ZINC001045072777 774934635 /nfs/dbraw/zinc/93/46/35/774934635.db2.gz RDPSJJBEBOOICE-HOTGVXAUSA-N 1 1 347.459 0.376 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001045073111 774935114 /nfs/dbraw/zinc/93/51/14/774935114.db2.gz ZHQPVVLXPMCGFB-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001045147950 775055288 /nfs/dbraw/zinc/05/52/88/775055288.db2.gz KHQKCTDAEFQYEA-GJZGRUSLSA-N 1 1 335.448 0.210 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)CC[N@H+]1C ZINC001045148898 775057750 /nfs/dbraw/zinc/05/77/50/775057750.db2.gz ZRGFPODYNPEPAJ-GJZGRUSLSA-N 1 1 349.475 0.456 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1 ZINC001040674050 783230219 /nfs/dbraw/zinc/23/02/19/783230219.db2.gz OPTRCDXRYMFAMW-OFQRWUPVSA-N 1 1 340.431 0.727 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1=O ZINC001043870370 775160337 /nfs/dbraw/zinc/16/03/37/775160337.db2.gz SCAAOYNOODKAGR-GOEBONIOSA-N 1 1 334.464 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(C)C)C1 ZINC001045341745 775456052 /nfs/dbraw/zinc/45/60/52/775456052.db2.gz OPBQRHKVHDKOQM-HOTGVXAUSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(C)C)C1 ZINC001045341745 775456059 /nfs/dbraw/zinc/45/60/59/775456059.db2.gz OPBQRHKVHDKOQM-HOTGVXAUSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024218 790362443 /nfs/dbraw/zinc/36/24/43/790362443.db2.gz GKSKPFDPKMVWOC-CVEARBPZSA-N 1 1 344.463 0.375 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001044011301 775508473 /nfs/dbraw/zinc/50/84/73/775508473.db2.gz MWCFMVPESZASTB-AWEZNQCLSA-N 1 1 335.448 0.067 20 30 ECEDMO Cn1nncc1C[NH+]1CCC(C)(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001045411453 775557649 /nfs/dbraw/zinc/55/76/49/775557649.db2.gz GESHVJXXZYITEX-UHFFFAOYSA-N 1 1 327.392 0.799 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001044062416 775619492 /nfs/dbraw/zinc/61/94/92/775619492.db2.gz BYRYFKUNYUVAEF-BMFZPTHFSA-N 1 1 343.431 0.269 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001045462200 775645970 /nfs/dbraw/zinc/64/59/70/775645970.db2.gz AFWKWEPZGJEUJN-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO N#Cc1cccnc1N1C[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@@H](O)C1 ZINC001044096185 775690451 /nfs/dbraw/zinc/69/04/51/775690451.db2.gz BPMWHZCNSHYGFN-VKJFTORMSA-N 1 1 341.415 0.105 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001044189709 775885037 /nfs/dbraw/zinc/88/50/37/775885037.db2.gz ZAPFFLCLYRRMNC-ZBFHGGJFSA-N 1 1 334.464 0.258 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O ZINC001044386559 776260945 /nfs/dbraw/zinc/26/09/45/776260945.db2.gz VRHVGHOGWNEJRY-KBMXLJTQSA-N 1 1 329.404 0.103 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNc3nccnc3C#N)C2)C1 ZINC001068506733 790435026 /nfs/dbraw/zinc/43/50/26/790435026.db2.gz VIOASEHZSLAGKW-IHRRRGAJSA-N 1 1 328.420 0.997 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)CC[N@H+]1C ZINC001044452848 776313961 /nfs/dbraw/zinc/31/39/61/776313961.db2.gz UPIHHKYMCUFKCJ-LBEHMCEESA-N 1 1 343.431 0.349 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001044464750 776324551 /nfs/dbraw/zinc/32/45/51/776324551.db2.gz RNVCLIOFZJXZIA-CABCVRRESA-N 1 1 349.475 0.905 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001044474580 776334351 /nfs/dbraw/zinc/33/43/51/776334351.db2.gz ABWRODKYTWOVIQ-UHFFFAOYSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001044474641 776334587 /nfs/dbraw/zinc/33/45/87/776334587.db2.gz BCTSMKLCUHLJKI-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)c(C#N)cn1 ZINC001044537685 776408151 /nfs/dbraw/zinc/40/81/51/776408151.db2.gz BEYZVYCTDPWDDL-LXZKKBNFSA-N 1 1 343.431 0.412 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O ZINC001044539208 776409386 /nfs/dbraw/zinc/40/93/86/776409386.db2.gz YSOZYDZHAQETBH-XPKDYRNWSA-N 1 1 329.404 0.103 20 30 ECEDMO Cc1nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)ccc1C#N ZINC001044684641 776632389 /nfs/dbraw/zinc/63/23/89/776632389.db2.gz JVGMLNQSTSSXGK-MIGQKNRLSA-N 1 1 343.431 0.268 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn3ccccc23)[C@@H](n2ccnn2)C1 ZINC001070055631 790465998 /nfs/dbraw/zinc/46/59/98/790465998.db2.gz HYEPCYDCGAIPQY-WBVHZDCISA-N 1 1 349.398 0.604 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001079682796 776677136 /nfs/dbraw/zinc/67/71/36/776677136.db2.gz WEDXGHGGMHIRQJ-BPLDGKMQSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001079682796 776677144 /nfs/dbraw/zinc/67/71/44/776677144.db2.gz WEDXGHGGMHIRQJ-BPLDGKMQSA-N 1 1 345.447 0.566 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079686538 776684570 /nfs/dbraw/zinc/68/45/70/776684570.db2.gz GWXPCFNWRUVQCB-QGZVFWFLSA-N 1 1 325.453 0.715 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001079690438 776694091 /nfs/dbraw/zinc/69/40/91/776694091.db2.gz VESXWZFKDKMGTI-KSSFIOAISA-N 1 1 337.464 0.857 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 ZINC001044725340 776701417 /nfs/dbraw/zinc/70/14/17/776701417.db2.gz IAOFVBCSUPNSQY-AWEZNQCLSA-N 1 1 338.452 0.348 20 30 ECEDMO CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001079733085 776773306 /nfs/dbraw/zinc/77/33/06/776773306.db2.gz UGCVLZFOFMWJCA-QGZVFWFLSA-N 1 1 349.475 0.814 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001079774334 776844713 /nfs/dbraw/zinc/84/47/13/776844713.db2.gz AYLDBTBOUHZMKW-JKSUJKDBSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001079776889 776853000 /nfs/dbraw/zinc/85/30/00/776853000.db2.gz OFFZIDZFJLBXHV-WBVHZDCISA-N 1 1 349.475 0.958 20 30 ECEDMO CCN(C(=O)[C@H](C)C[NH+]1CCOCC1)C1CN(C(=O)C#CC2CC2)C1 ZINC001079804380 776903281 /nfs/dbraw/zinc/90/32/81/776903281.db2.gz CKJBRBPRUBSHDY-OAHLLOKOSA-N 1 1 347.459 0.427 20 30 ECEDMO CC#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001079865845 776998625 /nfs/dbraw/zinc/99/86/25/776998625.db2.gz LKWKVYBJEZAQCP-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO CC#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001079865845 776998632 /nfs/dbraw/zinc/99/86/32/776998632.db2.gz LKWKVYBJEZAQCP-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@H]1C ZINC001079878346 777012133 /nfs/dbraw/zinc/01/21/33/777012133.db2.gz TZBGIGMZPNSVKD-ZACQAIPSSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@H]1C ZINC001079878346 777012138 /nfs/dbraw/zinc/01/21/38/777012138.db2.gz TZBGIGMZPNSVKD-ZACQAIPSSA-N 1 1 341.459 0.819 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079930283 777102315 /nfs/dbraw/zinc/10/23/15/777102315.db2.gz IMWZSGGOSJBFPB-UHFFFAOYSA-N 1 1 325.453 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccsn3)C2)C1=O ZINC001079934377 777109803 /nfs/dbraw/zinc/10/98/03/777109803.db2.gz NGVAUDFYWAUAQQ-MRVWCRGKSA-N 1 1 334.445 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccsn3)C2)C1=O ZINC001079934377 777109806 /nfs/dbraw/zinc/10/98/06/777109806.db2.gz NGVAUDFYWAUAQQ-MRVWCRGKSA-N 1 1 334.445 0.980 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001079957349 777147504 /nfs/dbraw/zinc/14/75/04/777147504.db2.gz XGXZAYIFRWKATK-TZMCWYRMSA-N 1 1 326.462 0.824 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@@H](C)COC)C1 ZINC001080009056 777221655 /nfs/dbraw/zinc/22/16/55/777221655.db2.gz OKIBBSYDASXRKD-WBVHZDCISA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@@H](C)COC)C1 ZINC001080009056 777221664 /nfs/dbraw/zinc/22/16/64/777221664.db2.gz OKIBBSYDASXRKD-WBVHZDCISA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](C)OCC)C1 ZINC001080009203 777222313 /nfs/dbraw/zinc/22/23/13/777222313.db2.gz UWFFHCHXYUVGEE-HOCLYGCPSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](C)OCC)C1 ZINC001080009203 777222318 /nfs/dbraw/zinc/22/23/18/777222318.db2.gz UWFFHCHXYUVGEE-HOCLYGCPSA-N 1 1 335.448 0.568 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001080049500 777303731 /nfs/dbraw/zinc/30/37/31/777303731.db2.gz JRJATZNJNMRWOE-BXUZGUMPSA-N 1 1 328.372 0.486 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C#C)cn2)[C@@H](n2ccnn2)C1 ZINC001070078782 790530036 /nfs/dbraw/zinc/53/00/36/790530036.db2.gz PVINRAQUJZWUMN-SJORKVTESA-N 1 1 334.383 0.333 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#C)cn2)[C@@H](n2ccnn2)C1 ZINC001070078782 790530047 /nfs/dbraw/zinc/53/00/47/790530047.db2.gz PVINRAQUJZWUMN-SJORKVTESA-N 1 1 334.383 0.333 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(N(CC)C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001080192683 777532632 /nfs/dbraw/zinc/53/26/32/777532632.db2.gz UEEGHNPYMDWMCC-UHFFFAOYSA-N 1 1 348.451 0.479 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001080205276 777554267 /nfs/dbraw/zinc/55/42/67/777554267.db2.gz YGMCWTYDWQTAMA-YRGRVCCFSA-N 1 1 348.403 0.520 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001080205276 777554276 /nfs/dbraw/zinc/55/42/76/777554276.db2.gz YGMCWTYDWQTAMA-YRGRVCCFSA-N 1 1 348.403 0.520 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001080288317 777649355 /nfs/dbraw/zinc/64/93/55/777649355.db2.gz OUHITIRLNZJMLC-KBRIMQKVSA-N 1 1 340.427 0.973 20 30 ECEDMO Cc1nsc(N[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c1C#N ZINC001043104027 777733628 /nfs/dbraw/zinc/73/36/28/777733628.db2.gz GUNCTXTZKNVWDZ-HONMWMINSA-N 1 1 349.460 0.913 20 30 ECEDMO Cc1nsc(N[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1C#N ZINC001043104027 777733633 /nfs/dbraw/zinc/73/36/33/777733633.db2.gz GUNCTXTZKNVWDZ-HONMWMINSA-N 1 1 349.460 0.913 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001080417840 777821448 /nfs/dbraw/zinc/82/14/48/777821448.db2.gz ADSOBIVLWRSMNQ-LLVKDONJSA-N 1 1 333.392 0.569 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCOCC1 ZINC001070091749 790572430 /nfs/dbraw/zinc/57/24/30/790572430.db2.gz CQDBHZSAMHRPIT-CVEARBPZSA-N 1 1 349.475 0.769 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001080557824 778026235 /nfs/dbraw/zinc/02/62/35/778026235.db2.gz FREOPBLDUSMNIR-GDBMZVCRSA-N 1 1 335.448 0.283 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080559415 778032437 /nfs/dbraw/zinc/03/24/37/778032437.db2.gz FAQYXHDSYOJRHX-RDTXWAMCSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080559764 778037874 /nfs/dbraw/zinc/03/78/74/778037874.db2.gz NJASXWPKFKOGEK-HNNXBMFYSA-N 1 1 335.448 0.427 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001043263123 778064764 /nfs/dbraw/zinc/06/47/64/778064764.db2.gz IGLZMXZOXMDQPL-ZIAGYGMSSA-N 1 1 335.448 0.372 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043273759 778080666 /nfs/dbraw/zinc/08/06/66/778080666.db2.gz GUDDQUSIOPDYLN-LBTNJELSSA-N 1 1 340.431 0.515 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2C)nn1 ZINC001080577862 778082204 /nfs/dbraw/zinc/08/22/04/778082204.db2.gz PTJGLFQLTQHVIE-QLFBSQMISA-N 1 1 333.436 0.941 20 30 ECEDMO C=C(Cl)CN1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043392580 778266120 /nfs/dbraw/zinc/26/61/20/778266120.db2.gz UDVSRLBVZLMYHT-UGWHAMFMSA-N 1 1 325.840 0.745 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001043432550 778321975 /nfs/dbraw/zinc/32/19/75/778321975.db2.gz IOHOHOJQLGKSFH-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001043448457 778351115 /nfs/dbraw/zinc/35/11/15/778351115.db2.gz GGVSSBJNJKDWMX-OAHLLOKOSA-N 1 1 337.464 0.620 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 ZINC001043448848 778351611 /nfs/dbraw/zinc/35/16/11/778351611.db2.gz JDSNPXYXOVMSAM-INIZCTEOSA-N 1 1 347.459 0.067 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001043462338 778373701 /nfs/dbraw/zinc/37/37/01/778373701.db2.gz ITBLWCMEEBDERD-MRXNPFEDSA-N 1 1 349.475 0.598 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001043464580 778380099 /nfs/dbraw/zinc/38/00/99/778380099.db2.gz XLPZJZXVMALDDP-CYBMUJFWSA-N 1 1 346.431 0.662 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1Nc1nccnc1C#N ZINC001043564521 778520808 /nfs/dbraw/zinc/52/08/08/778520808.db2.gz LTIHHQUZLJCAEG-RGCMKSIDSA-N 1 1 328.420 0.947 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1Nc1ccncc1C#N ZINC001043564856 778520895 /nfs/dbraw/zinc/52/08/95/778520895.db2.gz PLWFLWYOQLKORE-GKLJAUDBSA-N 1 1 327.432 0.974 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1Nc1ccc(C#N)nc1 ZINC001043595200 778562552 /nfs/dbraw/zinc/56/25/52/778562552.db2.gz CJGNHQARUNLXGG-BQGCOEIASA-N 1 1 343.431 0.931 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1Nc1ccc(C#N)nc1 ZINC001043595200 778562555 /nfs/dbraw/zinc/56/25/55/778562555.db2.gz CJGNHQARUNLXGG-BQGCOEIASA-N 1 1 343.431 0.931 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001043642554 778652334 /nfs/dbraw/zinc/65/23/34/778652334.db2.gz VDCFKMIRYJANBW-ZOBUZTSGSA-N 1 1 348.491 0.646 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@@H]21 ZINC001042270165 779949426 /nfs/dbraw/zinc/94/94/26/779949426.db2.gz MRZWCWBDTPPHDI-KBPBESRZSA-N 1 1 332.404 0.036 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@@H]21 ZINC001042271440 779951948 /nfs/dbraw/zinc/95/19/48/779951948.db2.gz YFRMDXJXOQVNGN-CABCVRRESA-N 1 1 346.431 0.426 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 ZINC001042302662 780024024 /nfs/dbraw/zinc/02/40/24/780024024.db2.gz WDJZNMPMPVSLON-KBPBESRZSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 ZINC001042302665 780024407 /nfs/dbraw/zinc/02/44/07/780024407.db2.gz WDJZNMPMPVSLON-ZIAGYGMSSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1[nH]c(C)nc1C ZINC001078509374 780056346 /nfs/dbraw/zinc/05/63/46/780056346.db2.gz XDGOPKXAIQMPTC-WFASDCNBSA-N 1 1 345.447 0.749 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1[nH]c(C)nc1C ZINC001078509374 780056357 /nfs/dbraw/zinc/05/63/57/780056357.db2.gz XDGOPKXAIQMPTC-WFASDCNBSA-N 1 1 345.447 0.749 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC001042331424 780085495 /nfs/dbraw/zinc/08/54/95/780085495.db2.gz BVGGPVAQQLGNPJ-KGLIPLIRSA-N 1 1 348.447 0.816 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)C[C@@H]21 ZINC001042348257 780114433 /nfs/dbraw/zinc/11/44/33/780114433.db2.gz HQJLMYXUTJBBLJ-PBHICJAKSA-N 1 1 336.399 0.832 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]21 ZINC001042353029 780123675 /nfs/dbraw/zinc/12/36/75/780123675.db2.gz GQDIGBJSWIKJQX-GXTWGEPZSA-N 1 1 330.388 0.046 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@@H]21 ZINC001042358727 780140612 /nfs/dbraw/zinc/14/06/12/780140612.db2.gz UBJLGYITIYUBIZ-CABCVRRESA-N 1 1 338.415 0.613 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]21 ZINC001042378917 780171945 /nfs/dbraw/zinc/17/19/45/780171945.db2.gz CABKZRZVCKSCEK-CZUORRHYSA-N 1 1 326.400 0.740 20 30 ECEDMO C=C(Br)CN1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042573875 780468248 /nfs/dbraw/zinc/46/82/48/780468248.db2.gz WPAHYWCRIVLWSC-GFCCVEGCSA-N 1 1 332.242 0.368 20 30 ECEDMO C=C(Br)CN1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042573875 780468253 /nfs/dbraw/zinc/46/82/53/780468253.db2.gz WPAHYWCRIVLWSC-GFCCVEGCSA-N 1 1 332.242 0.368 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)COCC)CC1 ZINC001078802008 780510656 /nfs/dbraw/zinc/51/06/56/780510656.db2.gz VCDGOYTVDIYIQM-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)COCC)CC1 ZINC001078802008 780510660 /nfs/dbraw/zinc/51/06/60/780510660.db2.gz VCDGOYTVDIYIQM-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)[C@H](C)OC)CC1 ZINC001078852628 780560577 /nfs/dbraw/zinc/56/05/77/780560577.db2.gz GDOSBZJCXOVWTD-ULQDDVLXSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)[C@H](C)OC)CC1 ZINC001078852628 780560583 /nfs/dbraw/zinc/56/05/83/780560583.db2.gz GDOSBZJCXOVWTD-ULQDDVLXSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCOCC(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001078885387 780583605 /nfs/dbraw/zinc/58/36/05/780583605.db2.gz ZKRZXVGBDKXAKE-HOTGVXAUSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCNC2=O)C1 ZINC001079140401 780804193 /nfs/dbraw/zinc/80/41/93/780804193.db2.gz GQPPAJBOOHSFLY-BRWVUGGUSA-N 1 1 343.427 0.382 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCNC2=O)C1 ZINC001079140401 780804205 /nfs/dbraw/zinc/80/42/05/780804205.db2.gz GQPPAJBOOHSFLY-BRWVUGGUSA-N 1 1 343.427 0.382 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001042804392 780851436 /nfs/dbraw/zinc/85/14/36/780851436.db2.gz CBKOYRIOCRJERG-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001042835462 780913696 /nfs/dbraw/zinc/91/36/96/780913696.db2.gz IIAZRTKZFXJBNO-DAXOMENPSA-N 1 1 329.404 0.225 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001079383287 781055256 /nfs/dbraw/zinc/05/52/56/781055256.db2.gz MITQCZGXRVRHHJ-MCIONIFRSA-N 1 1 335.404 0.098 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001079383287 781055263 /nfs/dbraw/zinc/05/52/63/781055263.db2.gz MITQCZGXRVRHHJ-MCIONIFRSA-N 1 1 335.404 0.098 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(C)c3)C2)C1=O ZINC001079403623 781081838 /nfs/dbraw/zinc/08/18/38/781081838.db2.gz NNBUMVNMNIECGW-BPLDGKMQSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(C)c3)C2)C1=O ZINC001079403623 781081841 /nfs/dbraw/zinc/08/18/41/781081841.db2.gz NNBUMVNMNIECGW-BPLDGKMQSA-N 1 1 331.420 0.257 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(C)s2)C1 ZINC001042960280 781102575 /nfs/dbraw/zinc/10/25/75/781102575.db2.gz MVAIUUBTENWYLD-AWEZNQCLSA-N 1 1 333.461 0.587 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(C)s2)C1 ZINC001042960280 781102577 /nfs/dbraw/zinc/10/25/77/781102577.db2.gz MVAIUUBTENWYLD-AWEZNQCLSA-N 1 1 333.461 0.587 20 30 ECEDMO C[N@@H+](CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)CC(C)(C)C ZINC001042963607 781107272 /nfs/dbraw/zinc/10/72/72/781107272.db2.gz PLDASIKRDYPUDR-UHFFFAOYSA-N 1 1 335.448 0.067 20 30 ECEDMO O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001042964616 781109399 /nfs/dbraw/zinc/10/93/99/781109399.db2.gz LJMQRZXGQSHSLL-CVEARBPZSA-N 1 1 345.443 0.106 20 30 ECEDMO CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042977191 781127446 /nfs/dbraw/zinc/12/74/46/781127446.db2.gz GZBXEBIYYIVZBH-BPLDGKMQSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001079482179 781166029 /nfs/dbraw/zinc/16/60/29/781166029.db2.gz LXTBBZQVPJYWOK-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001079493994 781182661 /nfs/dbraw/zinc/18/26/61/781182661.db2.gz OFEPTBGWLSQWOM-JKSUJKDBSA-N 1 1 337.464 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079540520 781241949 /nfs/dbraw/zinc/24/19/49/781241949.db2.gz UORHZFPGSFMEDE-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079600286 781306248 /nfs/dbraw/zinc/30/62/48/781306248.db2.gz ZQLDNCCIDKOBTL-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001077655632 781435731 /nfs/dbraw/zinc/43/57/31/781435731.db2.gz XTBJVIMLPMQLNW-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001077655632 781435735 /nfs/dbraw/zinc/43/57/35/781435735.db2.gz XTBJVIMLPMQLNW-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001077659128 781443948 /nfs/dbraw/zinc/44/39/48/781443948.db2.gz ZZRLOHJBCWHAJL-HUUCEWRRSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC001041406087 781446456 /nfs/dbraw/zinc/44/64/56/781446456.db2.gz JCSGNQWXFUMHEY-LJQANCHMSA-N 1 1 340.427 0.671 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC001041451567 781544344 /nfs/dbraw/zinc/54/43/44/781544344.db2.gz NERPZINXTFSCPI-QAPCUYQASA-N 1 1 332.448 0.725 20 30 ECEDMO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)O1 ZINC001077701366 781544221 /nfs/dbraw/zinc/54/42/21/781544221.db2.gz WGWYUTBXPWJRAU-BASLNEPJSA-N 1 1 329.400 0.787 20 30 ECEDMO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)O1 ZINC001077701366 781544231 /nfs/dbraw/zinc/54/42/31/781544231.db2.gz WGWYUTBXPWJRAU-BASLNEPJSA-N 1 1 329.400 0.787 20 30 ECEDMO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708569 781558614 /nfs/dbraw/zinc/55/86/14/781558614.db2.gz MNARHEOKYFAMNV-FCGDIQPGSA-N 1 1 341.455 0.516 20 30 ECEDMO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708569 781558620 /nfs/dbraw/zinc/55/86/20/781558620.db2.gz MNARHEOKYFAMNV-FCGDIQPGSA-N 1 1 341.455 0.516 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)Cc3ccccc32)C1 ZINC001077739128 781627760 /nfs/dbraw/zinc/62/77/60/781627760.db2.gz BWQYSTPPGHHDSH-GDBMZVCRSA-N 1 1 329.400 0.313 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001077742432 781631337 /nfs/dbraw/zinc/63/13/37/781631337.db2.gz APUKCURBZJSQLH-ZIAGYGMSSA-N 1 1 335.429 0.182 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001077742432 781631342 /nfs/dbraw/zinc/63/13/42/781631342.db2.gz APUKCURBZJSQLH-ZIAGYGMSSA-N 1 1 335.429 0.182 20 30 ECEDMO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077761576 781657586 /nfs/dbraw/zinc/65/75/86/781657586.db2.gz VXIMGMOOLFCIKT-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077761576 781657591 /nfs/dbraw/zinc/65/75/91/781657591.db2.gz VXIMGMOOLFCIKT-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3nc4ccccn4c3=O)C2)C1 ZINC001041524949 781697601 /nfs/dbraw/zinc/69/76/01/781697601.db2.gz ZHVPQHRPOUVCBR-SFHVURJKSA-N 1 1 339.399 0.054 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001041542545 781737454 /nfs/dbraw/zinc/73/74/54/781737454.db2.gz DOIIQZYOZXAXHU-WFASDCNBSA-N 1 1 326.828 0.687 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001041542545 781737461 /nfs/dbraw/zinc/73/74/61/781737461.db2.gz DOIIQZYOZXAXHU-WFASDCNBSA-N 1 1 326.828 0.687 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)nn1 ZINC001077812993 781741502 /nfs/dbraw/zinc/74/15/02/781741502.db2.gz WYLQYIKXOZZBPX-IIAWOOMASA-N 1 1 349.435 0.056 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001077822069 781758884 /nfs/dbraw/zinc/75/88/84/781758884.db2.gz WUIRGHAOUYGNNP-HZMVEIRTSA-N 1 1 348.447 0.371 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001077822069 781758891 /nfs/dbraw/zinc/75/88/91/781758891.db2.gz WUIRGHAOUYGNNP-HZMVEIRTSA-N 1 1 348.447 0.371 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC001041604853 781837093 /nfs/dbraw/zinc/83/70/93/781837093.db2.gz HJALHIUAUFFGJK-GOSISDBHSA-N 1 1 329.400 0.869 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CCOC1 ZINC001077902175 781906745 /nfs/dbraw/zinc/90/67/45/781906745.db2.gz UNFMEFKLHDXCBC-NUJGCVRESA-N 1 1 329.400 0.646 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CCOC1 ZINC001077902175 781906754 /nfs/dbraw/zinc/90/67/54/781906754.db2.gz UNFMEFKLHDXCBC-NUJGCVRESA-N 1 1 329.400 0.646 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CCCC)CO2 ZINC001068699461 790929455 /nfs/dbraw/zinc/92/94/55/790929455.db2.gz DHESLTIFDHNCRC-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(c3cncc(C#N)n3)CCCO2)C1 ZINC001039915035 783274066 /nfs/dbraw/zinc/27/40/66/783274066.db2.gz IHYNGVAHRYUFTC-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CCCC)CO2 ZINC001068699461 790929463 /nfs/dbraw/zinc/92/94/63/790929463.db2.gz DHESLTIFDHNCRC-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)C1 ZINC001040824954 783512888 /nfs/dbraw/zinc/51/28/88/783512888.db2.gz IMFJEXMEEAONDC-QLFBSQMISA-N 1 1 340.431 0.727 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)C1 ZINC001040824912 783513259 /nfs/dbraw/zinc/51/32/59/783513259.db2.gz HOSJAELJICXHMC-IJEWVQPXSA-N 1 1 340.431 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C)CCOCC1 ZINC001070188729 783621644 /nfs/dbraw/zinc/62/16/44/783621644.db2.gz VRFWRXSPDWIPNX-OAGGEKHMSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C)CCOCC1 ZINC001070188729 783621649 /nfs/dbraw/zinc/62/16/49/783621649.db2.gz VRFWRXSPDWIPNX-OAGGEKHMSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070224140 783693338 /nfs/dbraw/zinc/69/33/38/783693338.db2.gz PKLYFBUOKGZMOV-IKGGRYGDSA-N 1 1 344.463 0.373 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070224140 783693345 /nfs/dbraw/zinc/69/33/45/783693345.db2.gz PKLYFBUOKGZMOV-IKGGRYGDSA-N 1 1 344.463 0.373 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC001070233674 783710328 /nfs/dbraw/zinc/71/03/28/783710328.db2.gz BRQSGKVQSCUGDR-KBPBESRZSA-N 1 1 336.436 0.412 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC001070233675 783710404 /nfs/dbraw/zinc/71/04/04/783710404.db2.gz BRQSGKVQSCUGDR-KGLIPLIRSA-N 1 1 336.436 0.412 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070272261 783773433 /nfs/dbraw/zinc/77/34/33/783773433.db2.gz DYLJRZPOTJXELX-NEPJUHHUSA-N 1 1 337.334 0.780 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)c3cnco3)[nH]2)[C@H](C2CC2)C1 ZINC001070352310 783866936 /nfs/dbraw/zinc/86/69/36/783866936.db2.gz PRRJXUHDKQSEHP-QWHCGFSZSA-N 1 1 340.387 0.781 20 30 ECEDMO C#CC[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3cnco3)n2)[C@H](C2CC2)C1 ZINC001070352310 783866947 /nfs/dbraw/zinc/86/69/47/783866947.db2.gz PRRJXUHDKQSEHP-QWHCGFSZSA-N 1 1 340.387 0.781 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3cnco3)n2)[C@H](C2CC2)C1 ZINC001070352310 783866956 /nfs/dbraw/zinc/86/69/56/783866956.db2.gz PRRJXUHDKQSEHP-QWHCGFSZSA-N 1 1 340.387 0.781 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cncnc2)C1 ZINC001070385157 783927485 /nfs/dbraw/zinc/92/74/85/783927485.db2.gz DJTFGXNXOAVSQO-INIZCTEOSA-N 1 1 337.383 0.888 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cncnc2)C1 ZINC001070385157 783927487 /nfs/dbraw/zinc/92/74/87/783927487.db2.gz DJTFGXNXOAVSQO-INIZCTEOSA-N 1 1 337.383 0.888 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001070392631 783948604 /nfs/dbraw/zinc/94/86/04/783948604.db2.gz UXRXZEQKVXFYQQ-CQSZACIVSA-N 1 1 325.372 0.396 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c(C)ncn2C)C1 ZINC001070412469 784003507 /nfs/dbraw/zinc/00/35/07/784003507.db2.gz AOCRDOXMGOSERV-CYBMUJFWSA-N 1 1 326.404 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 ZINC001070412822 784007395 /nfs/dbraw/zinc/00/73/95/784007395.db2.gz LAYQDIMYWSDBGP-ZBFHGGJFSA-N 1 1 340.431 0.436 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 ZINC001070412822 784007402 /nfs/dbraw/zinc/00/74/02/784007402.db2.gz LAYQDIMYWSDBGP-ZBFHGGJFSA-N 1 1 340.431 0.436 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001070413985 784010810 /nfs/dbraw/zinc/01/08/10/784010810.db2.gz AUPBXNZEASPEOZ-CQSZACIVSA-N 1 1 339.399 0.461 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cccc3ncnn32)C1 ZINC001070417324 784021597 /nfs/dbraw/zinc/02/15/97/784021597.db2.gz ZZGJOAMOJXGNPI-ZDUSSCGKSA-N 1 1 349.398 0.805 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001070421467 784030241 /nfs/dbraw/zinc/03/02/41/784030241.db2.gz LQCWIDUKNAFEBL-DZGCQCFKSA-N 1 1 345.447 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001070434631 784063023 /nfs/dbraw/zinc/06/30/23/784063023.db2.gz YWGVTIJWPOWLLS-UONOGXRCSA-N 1 1 343.431 0.317 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCO1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441303 784081964 /nfs/dbraw/zinc/08/19/64/784081964.db2.gz SEKSGBAKFTWILI-KGLIPLIRSA-N 1 1 331.420 0.706 20 30 ECEDMO COCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C#N)C[C@H]2c1nnc(C)[nH]1 ZINC001070442235 784083727 /nfs/dbraw/zinc/08/37/27/784083727.db2.gz FRGXQWPQJVCMRX-AAEUAGOBSA-N 1 1 332.408 0.147 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ccnnc1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070449637 784107117 /nfs/dbraw/zinc/10/71/17/784107117.db2.gz UPJSJFYKHIFKNW-CQSZACIVSA-N 1 1 339.403 0.631 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1nc(C)c[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070451035 784112304 /nfs/dbraw/zinc/11/23/04/784112304.db2.gz SLWPEYCQAKIXJX-ZDUSSCGKSA-N 1 1 341.419 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](OC)C2CC2)C1 ZINC001070921723 784118875 /nfs/dbraw/zinc/11/88/75/784118875.db2.gz KRYYYHKVWVQJMO-IXDOHACOSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](OC)C2CC2)C1 ZINC001070921723 784118877 /nfs/dbraw/zinc/11/88/77/784118877.db2.gz KRYYYHKVWVQJMO-IXDOHACOSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC001070948440 784197156 /nfs/dbraw/zinc/19/71/56/784197156.db2.gz MKEOFWWIGXOIKO-GJZGRUSLSA-N 1 1 336.436 0.223 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001070953329 784211370 /nfs/dbraw/zinc/21/13/70/784211370.db2.gz HWESTCJKDWWEOT-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(=O)NCC[N@H+](CC2CCOCC2)CC1 ZINC001070962317 784240234 /nfs/dbraw/zinc/24/02/34/784240234.db2.gz NZCXGJYKMUBULR-UHFFFAOYSA-N 1 1 347.459 0.477 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2ccnn2C)CC1 ZINC001070964345 784248729 /nfs/dbraw/zinc/24/87/29/784248729.db2.gz DVPNONMWYAYTSF-OAHLLOKOSA-N 1 1 347.463 0.750 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2ccnn2C)CC1 ZINC001070964345 784248736 /nfs/dbraw/zinc/24/87/36/784248736.db2.gz DVPNONMWYAYTSF-OAHLLOKOSA-N 1 1 347.463 0.750 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070964628 784249510 /nfs/dbraw/zinc/24/95/10/784249510.db2.gz RYOLYACTPIJIFY-HZPDHXFCSA-N 1 1 336.480 0.553 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964628 784249514 /nfs/dbraw/zinc/24/95/14/784249514.db2.gz RYOLYACTPIJIFY-HZPDHXFCSA-N 1 1 336.480 0.553 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccn(CC)n2)CC1 ZINC001070965421 784251699 /nfs/dbraw/zinc/25/16/99/784251699.db2.gz AVRZTWHOEMSBSZ-UHFFFAOYSA-N 1 1 347.463 0.672 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001070967905 784258228 /nfs/dbraw/zinc/25/82/28/784258228.db2.gz CNRQHQQGXAGRKM-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC(=O)NCC[N@@H+](C[C@H](C)O)CC1 ZINC001070970478 784269902 /nfs/dbraw/zinc/26/99/02/784269902.db2.gz HMGDNRHZXJIPLW-HNNXBMFYSA-N 1 1 348.447 0.319 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC(=O)NCC[N@H+](C[C@H](C)O)CC1 ZINC001070970478 784269912 /nfs/dbraw/zinc/26/99/12/784269912.db2.gz HMGDNRHZXJIPLW-HNNXBMFYSA-N 1 1 348.447 0.319 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccccc2)CC1 ZINC001070975239 784288381 /nfs/dbraw/zinc/28/83/81/784288381.db2.gz IJPXIQOPBNBODC-UHFFFAOYSA-N 1 1 327.428 0.903 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccccc2)CC1 ZINC001070975239 784288390 /nfs/dbraw/zinc/28/83/90/784288390.db2.gz IJPXIQOPBNBODC-UHFFFAOYSA-N 1 1 327.428 0.903 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001070992795 784347369 /nfs/dbraw/zinc/34/73/69/784347369.db2.gz YLSOTTHOCRTTEW-INIZCTEOSA-N 1 1 327.400 0.342 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001070992795 784347376 /nfs/dbraw/zinc/34/73/76/784347376.db2.gz YLSOTTHOCRTTEW-INIZCTEOSA-N 1 1 327.400 0.342 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2CCC(OC)CC2)CC1 ZINC001070993766 784349502 /nfs/dbraw/zinc/34/95/02/784349502.db2.gz NZOAPKORYPTOLU-UHFFFAOYSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C2CCC(OC)CC2)CC1 ZINC001070993766 784349506 /nfs/dbraw/zinc/34/95/06/784349506.db2.gz NZOAPKORYPTOLU-UHFFFAOYSA-N 1 1 349.475 0.865 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(=O)NCC[N@@H+](CC3CC3)CC2)c1 ZINC001070997450 784360346 /nfs/dbraw/zinc/36/03/46/784360346.db2.gz LDXNMHQSSYTQJW-UHFFFAOYSA-N 1 1 340.427 0.737 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(=O)NCC[N@H+](CC3CC3)CC2)c1 ZINC001070997450 784360356 /nfs/dbraw/zinc/36/03/56/784360356.db2.gz LDXNMHQSSYTQJW-UHFFFAOYSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001071006169 784388570 /nfs/dbraw/zinc/38/85/70/784388570.db2.gz XPTAMYCMKIHXEY-QGZVFWFLSA-N 1 1 348.491 0.533 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCOC2)n1 ZINC001070595624 784404837 /nfs/dbraw/zinc/40/48/37/784404837.db2.gz HHAUYDOMJCMQTR-JYJNAYRXSA-N 1 1 346.431 0.971 20 30 ECEDMO CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)[C@H]3CCC[N@@H+]3C)n2)N(CC#N)C1 ZINC001070601119 784416990 /nfs/dbraw/zinc/41/69/90/784416990.db2.gz BMKRDVOXMSFGHW-RRFJBIMHSA-N 1 1 346.435 0.529 20 30 ECEDMO CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)[C@H]3CCC[N@H+]3C)n2)N(CC#N)C1 ZINC001070601119 784416996 /nfs/dbraw/zinc/41/69/96/784416996.db2.gz BMKRDVOXMSFGHW-RRFJBIMHSA-N 1 1 346.435 0.529 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C)cc2=O)CC1 ZINC001071014619 784417416 /nfs/dbraw/zinc/41/74/16/784417416.db2.gz YEBBQPAUNBKTMT-UHFFFAOYSA-N 1 1 346.431 0.524 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C)cc2=O)CC1 ZINC001071014619 784417421 /nfs/dbraw/zinc/41/74/21/784417421.db2.gz YEBBQPAUNBKTMT-UHFFFAOYSA-N 1 1 346.431 0.524 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C[C@H]2CCCO2)CC1 ZINC001071023193 784449429 /nfs/dbraw/zinc/44/94/29/784449429.db2.gz TZVZOGXPWQBHSZ-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C[C@H]2CCCO2)CC1 ZINC001071023193 784449433 /nfs/dbraw/zinc/44/94/33/784449433.db2.gz TZVZOGXPWQBHSZ-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC001071047769 784479570 /nfs/dbraw/zinc/47/95/70/784479570.db2.gz FDJIWAWJBNYAQH-PBHICJAKSA-N 1 1 333.436 0.909 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@@](C)(O)C=C)C1 ZINC001070663958 784520676 /nfs/dbraw/zinc/52/06/76/784520676.db2.gz UORYUXIRQJITFD-GJYPPUQNSA-N 1 1 347.459 0.518 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@@](C)(O)C=C)C1 ZINC001070663958 784520679 /nfs/dbraw/zinc/52/06/79/784520679.db2.gz UORYUXIRQJITFD-GJYPPUQNSA-N 1 1 347.459 0.518 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 ZINC001071104414 784542109 /nfs/dbraw/zinc/54/21/09/784542109.db2.gz WGFYMTGIPDUVIN-WBVHZDCISA-N 1 1 331.420 0.701 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1c1cncn1C ZINC001070690901 784559202 /nfs/dbraw/zinc/55/92/02/784559202.db2.gz SYYMHFTZGLANPY-ZIAGYGMSSA-N 1 1 329.408 0.241 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1c1cncn1C ZINC001070690901 784559204 /nfs/dbraw/zinc/55/92/04/784559204.db2.gz SYYMHFTZGLANPY-ZIAGYGMSSA-N 1 1 329.408 0.241 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc(C)cn1)C[C@@H](C)O2 ZINC001071138898 784585227 /nfs/dbraw/zinc/58/52/27/784585227.db2.gz MCUBVXKYNSFRQC-SJLPKXTDSA-N 1 1 330.432 0.907 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1cncn1C ZINC001070723858 784598447 /nfs/dbraw/zinc/59/84/47/784598447.db2.gz URYNAZVXEVQBDM-ZIAGYGMSSA-N 1 1 348.838 0.953 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001071150430 784609232 /nfs/dbraw/zinc/60/92/32/784609232.db2.gz GOXSFKUUGQIBOL-VVLHAWIVSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)C[C@H](C)O2 ZINC001071159521 784625516 /nfs/dbraw/zinc/62/55/16/784625516.db2.gz NGDDJKIEGRILPB-DOTOQJQBSA-N 1 1 331.420 0.383 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@H](C)O2 ZINC001071159171 784626093 /nfs/dbraw/zinc/62/60/93/784626093.db2.gz IHLPOQGFNQQZOM-GUYCJALGSA-N 1 1 333.388 0.307 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@@H](C)O2 ZINC001071160970 784631598 /nfs/dbraw/zinc/63/15/98/784631598.db2.gz BPZGKDUVSXLTTB-CXAGYDPISA-N 1 1 331.420 0.331 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@H](C)O2 ZINC001071169364 784648164 /nfs/dbraw/zinc/64/81/64/784648164.db2.gz PRRZWTPLIGGPIY-GUYCJALGSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3ncccc13)C[C@@H](C)O2 ZINC001071176505 784665951 /nfs/dbraw/zinc/66/59/51/784665951.db2.gz WNQXKVPBVJKQRR-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3ncccc13)C[C@@H](C)O2 ZINC001071176505 784665956 /nfs/dbraw/zinc/66/59/56/784665956.db2.gz WNQXKVPBVJKQRR-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@H](C)O2 ZINC001071176480 784666859 /nfs/dbraw/zinc/66/68/59/784666859.db2.gz WFXPEGFCZOTTKT-KSSFIOAISA-N 1 1 344.415 0.604 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@H](C)O2 ZINC001071178993 784674541 /nfs/dbraw/zinc/67/45/41/784674541.db2.gz YYANXFVVMIUOCX-SUMWQHHRSA-N 1 1 332.404 0.272 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cc(C)nn1C)C[C@@H](C)O2 ZINC001071189983 784696886 /nfs/dbraw/zinc/69/68/86/784696886.db2.gz RXXGEQUEOSFLIT-APWZRJJASA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn3nnnc3c1)C[C@@H](C)O2 ZINC001071200405 784721477 /nfs/dbraw/zinc/72/14/77/784721477.db2.gz WHTBCTAIYDHDDU-CXAGYDPISA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn3nnnc3c1)C[C@@H](C)O2 ZINC001071200405 784721485 /nfs/dbraw/zinc/72/14/85/784721485.db2.gz WHTBCTAIYDHDDU-CXAGYDPISA-N 1 1 340.387 0.063 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@@H](C)O2 ZINC001071209710 784742786 /nfs/dbraw/zinc/74/27/86/784742786.db2.gz OILHIWRKWPOYGD-SJKOYZFVSA-N 1 1 332.404 0.605 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)co1)C[C@H](C)O2 ZINC001071212230 784747795 /nfs/dbraw/zinc/74/77/95/784747795.db2.gz UTIQIESZEBSIAV-UGSOOPFHSA-N 1 1 345.399 0.707 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@@H](C)O2 ZINC001071212464 784748859 /nfs/dbraw/zinc/74/88/59/784748859.db2.gz XXPGAHAWUWABJY-DNVCBOLYSA-N 1 1 343.427 0.714 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001070863406 784765234 /nfs/dbraw/zinc/76/52/34/784765234.db2.gz WIOSUUFZVIVZOL-CQSZACIVSA-N 1 1 331.420 0.947 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nnnc1C(C)C)C[C@@H](C)O2 ZINC001071219760 784766194 /nfs/dbraw/zinc/76/61/94/784766194.db2.gz XWBFVXSZHQYCKQ-PBHICJAKSA-N 1 1 348.451 0.674 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)C[C@@H](C)O2 ZINC001071219932 784766658 /nfs/dbraw/zinc/76/66/58/784766658.db2.gz AJFMIQWPTSBYAA-CXAGYDPISA-N 1 1 342.403 0.616 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@@H](C)O2 ZINC001071225303 784781484 /nfs/dbraw/zinc/78/14/84/784781484.db2.gz IUQPMPAPNDQKLG-ACJLOTCBSA-N 1 1 344.415 0.442 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@@H](C)O2 ZINC001071226247 784783662 /nfs/dbraw/zinc/78/36/62/784783662.db2.gz WZFDXFVHHYEEQJ-ACJLOTCBSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1coc(COC)n1)C[C@H](C)O2 ZINC001071226313 784784660 /nfs/dbraw/zinc/78/46/60/784784660.db2.gz YDKMRWHHNRDLSF-GUYCJALGSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1coc(COC)n1)C[C@H](C)O2 ZINC001071226313 784784669 /nfs/dbraw/zinc/78/46/69/784784669.db2.gz YDKMRWHHNRDLSF-GUYCJALGSA-N 1 1 333.388 0.760 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nonc1C)C[C@H](C)O2 ZINC001071228261 784788756 /nfs/dbraw/zinc/78/87/56/784788756.db2.gz RNKPNGCNDXQYJA-SUMWQHHRSA-N 1 1 332.404 0.636 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cncn1C)C[C@H](C)O2 ZINC001071235476 784803155 /nfs/dbraw/zinc/80/31/55/784803155.db2.gz FECXOJLNRQAFDS-YJBOKZPZSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cncn1C)C[C@H](C)O2 ZINC001071235474 784803652 /nfs/dbraw/zinc/80/36/52/784803652.db2.gz FECXOJLNRQAFDS-MAUKXSAKSA-N 1 1 330.432 0.678 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001070899140 784805829 /nfs/dbraw/zinc/80/58/29/784805829.db2.gz ODVHBMMPHPXRHT-UTUOFQBUSA-N 1 1 329.347 0.934 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001070899140 784805836 /nfs/dbraw/zinc/80/58/36/784805836.db2.gz ODVHBMMPHPXRHT-UTUOFQBUSA-N 1 1 329.347 0.934 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CCN(C(N)=O)CC1)C[C@@H](C)O2 ZINC001071237787 784805946 /nfs/dbraw/zinc/80/59/46/784805946.db2.gz CQYLMASDYJICNN-RDTXWAMCSA-N 1 1 348.447 0.102 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@H](C)O2 ZINC001071241486 784817184 /nfs/dbraw/zinc/81/71/84/784817184.db2.gz VYXOSGIWYGZVMZ-SJCJKPOMSA-N 1 1 332.404 0.605 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc(C)cn1)C[C@H](C)O2 ZINC001071244033 784822206 /nfs/dbraw/zinc/82/22/06/784822206.db2.gz ONELCDANCFKXLZ-WMZOPIPTSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(C(N)=O)n1)C[C@@H](C)O2 ZINC001071245804 784825521 /nfs/dbraw/zinc/82/55/21/784825521.db2.gz JYKMRYRVNZGTCZ-ACJLOTCBSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@@H](C)O2 ZINC001071248907 784833199 /nfs/dbraw/zinc/83/31/99/784833199.db2.gz VMJIMOMLSFBYTP-RHSMWYFYSA-N 1 1 331.420 0.073 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258736 784864410 /nfs/dbraw/zinc/86/44/10/784864410.db2.gz PQRLWZBULYQWSP-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C(=O)C1 ZINC001071269036 784898373 /nfs/dbraw/zinc/89/83/73/784898373.db2.gz ITZWDUURYQTEBP-LISAXSMJSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C(=O)C1 ZINC001071269036 784898379 /nfs/dbraw/zinc/89/83/79/784898379.db2.gz ITZWDUURYQTEBP-LISAXSMJSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277145 784922671 /nfs/dbraw/zinc/92/26/71/784922671.db2.gz LMHCOZFNLSZZNS-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001071343654 784983729 /nfs/dbraw/zinc/98/37/29/784983729.db2.gz BWAZVFAAQOZMRF-UONOGXRCSA-N 1 1 338.477 0.835 20 30 ECEDMO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068754166 791076052 /nfs/dbraw/zinc/07/60/52/791076052.db2.gz YBKBHRPSBURYQR-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071430576 785078206 /nfs/dbraw/zinc/07/82/06/785078206.db2.gz CJKRHTVWEPJUPI-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CC(=O)N1CCC1 ZINC001071430576 785078217 /nfs/dbraw/zinc/07/82/17/785078217.db2.gz CJKRHTVWEPJUPI-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071437405 785086566 /nfs/dbraw/zinc/08/65/66/785086566.db2.gz GIYBWIGZABYKIP-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CC(=O)NC1CC1 ZINC001071437405 785086572 /nfs/dbraw/zinc/08/65/72/785086572.db2.gz GIYBWIGZABYKIP-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1C ZINC001071816795 785153569 /nfs/dbraw/zinc/15/35/69/785153569.db2.gz ZABDIYAKFRTWMY-MNOVXSKESA-N 1 1 341.437 0.216 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001071508614 785215329 /nfs/dbraw/zinc/21/53/29/785215329.db2.gz QUDFCCXQVBITLW-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C ZINC001071861459 785234824 /nfs/dbraw/zinc/23/48/24/785234824.db2.gz PRJOTJWBTZRTMS-KBPBESRZSA-N 1 1 348.447 0.633 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001071875779 785255371 /nfs/dbraw/zinc/25/53/71/785255371.db2.gz YLKVKSXHZYBDAC-WFASDCNBSA-N 1 1 331.420 0.803 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001071921656 785339420 /nfs/dbraw/zinc/33/94/20/785339420.db2.gz JMDDKETVYLFZKX-IUODEOHRSA-N 1 1 331.420 0.805 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001071926478 785349224 /nfs/dbraw/zinc/34/92/24/785349224.db2.gz YOIHXPMPSZFAMS-WFASDCNBSA-N 1 1 331.420 0.805 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC[C@@H]1C ZINC001071930535 785354064 /nfs/dbraw/zinc/35/40/64/785354064.db2.gz GKGNVMFNCNXREB-AAEUAGOBSA-N 1 1 332.404 0.731 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccc(OC)nn32)CC[C@H]1C ZINC001071618784 785404931 /nfs/dbraw/zinc/40/49/31/785404931.db2.gz DRVSAOVJPBYVPF-OLZOCXBDSA-N 1 1 327.388 0.954 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3ccc(OC)nn32)CC[C@H]1C ZINC001071618784 785404937 /nfs/dbraw/zinc/40/49/37/785404937.db2.gz DRVSAOVJPBYVPF-OLZOCXBDSA-N 1 1 327.388 0.954 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC001071622713 785408299 /nfs/dbraw/zinc/40/82/99/785408299.db2.gz MKMQNSPPAXPAOS-WCQYABFASA-N 1 1 339.417 0.533 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)CC[C@H]1C ZINC001071642454 785436413 /nfs/dbraw/zinc/43/64/13/785436413.db2.gz QNIJEDGGAJZCBW-ZBFHGGJFSA-N 1 1 331.416 0.711 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@H]1C ZINC001071685583 785519462 /nfs/dbraw/zinc/51/94/62/785519462.db2.gz DSAKMUBPIACWTE-CABCVRRESA-N 1 1 341.477 0.404 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NC)C1 ZINC001072022574 785540362 /nfs/dbraw/zinc/54/03/62/785540362.db2.gz BQPZVYNRIZALIJ-YOEHRIQHSA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC)C1 ZINC001072022574 785540364 /nfs/dbraw/zinc/54/03/64/785540364.db2.gz BQPZVYNRIZALIJ-YOEHRIQHSA-N 1 1 327.428 0.926 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@@H]1C ZINC001071702307 785555845 /nfs/dbraw/zinc/55/58/45/785555845.db2.gz XMPPRMGBVMGAPF-KBPBESRZSA-N 1 1 339.403 0.663 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C ZINC001072033771 785555941 /nfs/dbraw/zinc/55/59/41/785555941.db2.gz OTXHUYZSYDSRJZ-DZGCQCFKSA-N 1 1 335.452 0.826 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@@H]1C ZINC001071702049 785556565 /nfs/dbraw/zinc/55/65/65/785556565.db2.gz SGHSDFSOEAZQTQ-QWHCGFSZSA-N 1 1 325.376 0.273 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@@H]1C ZINC001071702049 785556568 /nfs/dbraw/zinc/55/65/68/785556568.db2.gz SGHSDFSOEAZQTQ-QWHCGFSZSA-N 1 1 325.376 0.273 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@H]1C ZINC001071721532 785585449 /nfs/dbraw/zinc/58/54/49/785585449.db2.gz RSMQWSNIRIHEHQ-KGLIPLIRSA-N 1 1 327.388 0.098 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N(Cc2cn(C)c(=O)n(C)c2=O)C(C)=O)C1 ZINC001072134744 785723503 /nfs/dbraw/zinc/72/35/03/785723503.db2.gz YZLCQCABWLMCAS-OAHLLOKOSA-N 1 1 334.420 0.083 20 30 ECEDMO C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072239948 785875582 /nfs/dbraw/zinc/87/55/82/785875582.db2.gz ZNTMDHWKDCJIQM-YPMHNXCESA-N 1 1 342.407 0.298 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001072283046 785969180 /nfs/dbraw/zinc/96/91/80/785969180.db2.gz NGJDWOONJORQMM-IUODEOHRSA-N 1 1 331.420 0.803 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001072389471 786121358 /nfs/dbraw/zinc/12/13/58/786121358.db2.gz CVLDZZWLCZCLMM-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001072479217 786247369 /nfs/dbraw/zinc/24/73/69/786247369.db2.gz ULKPPARETVURFQ-DOMZBBRYSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4[nH]cnc4C)C3)C2)C1=O ZINC001073494081 786426081 /nfs/dbraw/zinc/42/60/81/786426081.db2.gz YQVQXDQGKRCSMH-CQSZACIVSA-N 1 1 343.431 0.653 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@H]21 ZINC001074232589 786472959 /nfs/dbraw/zinc/47/29/59/786472959.db2.gz CBSYCWKPWOUUBD-HZPDHXFCSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@H]21 ZINC001074232589 786472965 /nfs/dbraw/zinc/47/29/65/786472965.db2.gz CBSYCWKPWOUUBD-HZPDHXFCSA-N 1 1 349.435 0.416 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001073549363 786553443 /nfs/dbraw/zinc/55/34/43/786553443.db2.gz KSLMGASMOYYTCV-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001073551594 786563396 /nfs/dbraw/zinc/56/33/96/786563396.db2.gz RXLGABUIAAFYIG-HNNXBMFYSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001073566023 786623617 /nfs/dbraw/zinc/62/36/17/786623617.db2.gz PBYPQHOOKGCOPR-MRXNPFEDSA-N 1 1 346.475 0.097 20 30 ECEDMO Cn1cncc1C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073566705 786625408 /nfs/dbraw/zinc/62/54/08/786625408.db2.gz TUVWEZFKTAWUQK-HNNXBMFYSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1cncc1C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073566705 786625419 /nfs/dbraw/zinc/62/54/19/786625419.db2.gz TUVWEZFKTAWUQK-HNNXBMFYSA-N 1 1 342.403 0.641 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625217 786797454 /nfs/dbraw/zinc/79/74/54/786797454.db2.gz CLTZIWRVXYAEIX-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073629989 786813774 /nfs/dbraw/zinc/81/37/74/786813774.db2.gz KHADOFKWROFULL-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@@H]3C2)cn1 ZINC001074384523 786819559 /nfs/dbraw/zinc/81/95/59/786819559.db2.gz IEGBBOKTNBRNGS-IAGOWNOFSA-N 1 1 329.400 0.625 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@@H]3C2)cn1 ZINC001074384523 786819565 /nfs/dbraw/zinc/81/95/65/786819565.db2.gz IEGBBOKTNBRNGS-IAGOWNOFSA-N 1 1 329.400 0.625 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001073639510 786844411 /nfs/dbraw/zinc/84/44/11/786844411.db2.gz HNQKXKVDHKOFKN-ZDUSSCGKSA-N 1 1 331.372 0.307 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 ZINC001073639510 786844421 /nfs/dbraw/zinc/84/44/21/786844421.db2.gz HNQKXKVDHKOFKN-ZDUSSCGKSA-N 1 1 331.372 0.307 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001073645385 786861911 /nfs/dbraw/zinc/86/19/11/786861911.db2.gz LKQALNVFXIDPPG-HZPDHXFCSA-N 1 1 345.447 0.839 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001073660657 786902216 /nfs/dbraw/zinc/90/22/16/786902216.db2.gz KXGQZPCLFGTNDR-IXDOHACOSA-N 1 1 339.480 0.879 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001073670872 786926911 /nfs/dbraw/zinc/92/69/11/786926911.db2.gz QLDDBWHQPNAQKX-JKSUJKDBSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001073673048 786935035 /nfs/dbraw/zinc/93/50/35/786935035.db2.gz TVPPDZALCYWADA-OAHLLOKOSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001073673048 786935040 /nfs/dbraw/zinc/93/50/40/786935040.db2.gz TVPPDZALCYWADA-OAHLLOKOSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3cccnc3n2)C1 ZINC001073674329 786939229 /nfs/dbraw/zinc/93/92/29/786939229.db2.gz AMCGTSBRFHFGDC-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073677237 786947306 /nfs/dbraw/zinc/94/73/06/786947306.db2.gz BDZXWECRZDWKMU-CYBMUJFWSA-N 1 1 344.415 0.973 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001073677987 786950331 /nfs/dbraw/zinc/95/03/31/786950331.db2.gz YLPADVNWOUYIIO-CYBMUJFWSA-N 1 1 331.372 0.307 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 ZINC001073677987 786950336 /nfs/dbraw/zinc/95/03/36/786950336.db2.gz YLPADVNWOUYIIO-CYBMUJFWSA-N 1 1 331.372 0.307 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001073687591 786972180 /nfs/dbraw/zinc/97/21/80/786972180.db2.gz WBKVBRSPGWYEKT-AWEZNQCLSA-N 1 1 345.399 0.005 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001073687591 786972185 /nfs/dbraw/zinc/97/21/85/786972185.db2.gz WBKVBRSPGWYEKT-AWEZNQCLSA-N 1 1 345.399 0.005 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001073703375 787006679 /nfs/dbraw/zinc/00/66/79/787006679.db2.gz MYCUKZHYVMGTLB-CABCVRRESA-N 1 1 333.436 0.624 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001073712904 787027453 /nfs/dbraw/zinc/02/74/53/787027453.db2.gz OTTUIMNOLVHBQD-CQSZACIVSA-N 1 1 343.387 0.529 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001073712904 787027464 /nfs/dbraw/zinc/02/74/64/787027464.db2.gz OTTUIMNOLVHBQD-CQSZACIVSA-N 1 1 343.387 0.529 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@H](C)C(N)=O)CCCO2)cc1 ZINC001073723943 787063654 /nfs/dbraw/zinc/06/36/54/787063654.db2.gz OVJMMJIABIYCCT-CJNGLKHVSA-N 1 1 329.400 0.362 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@H](C)C(N)=O)CCCO2)cc1 ZINC001073723943 787063661 /nfs/dbraw/zinc/06/36/61/787063661.db2.gz OVJMMJIABIYCCT-CJNGLKHVSA-N 1 1 329.400 0.362 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001073745614 787109932 /nfs/dbraw/zinc/10/99/32/787109932.db2.gz CUQZSWZHPWOHAC-GFCCVEGCSA-N 1 1 343.387 0.508 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001074520437 787160513 /nfs/dbraw/zinc/16/05/13/787160513.db2.gz WGHRJUIOQWNSJT-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001073766326 787161677 /nfs/dbraw/zinc/16/16/77/787161677.db2.gz BTQDCGXOTATZOX-CYBMUJFWSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001073766326 787161683 /nfs/dbraw/zinc/16/16/83/787161683.db2.gz BTQDCGXOTATZOX-CYBMUJFWSA-N 1 1 327.388 0.422 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001073781812 787191391 /nfs/dbraw/zinc/19/13/91/787191391.db2.gz OYJRESCAMCJRLJ-CQSZACIVSA-N 1 1 348.447 0.748 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073796447 787218823 /nfs/dbraw/zinc/21/88/23/787218823.db2.gz MYFGFWGTRKQQAS-HUUCEWRRSA-N 1 1 344.477 0.594 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073796447 787218829 /nfs/dbraw/zinc/21/88/29/787218829.db2.gz MYFGFWGTRKQQAS-HUUCEWRRSA-N 1 1 344.477 0.594 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cncc(N3CCCC3)n2)C1 ZINC001073798969 787225342 /nfs/dbraw/zinc/22/53/42/787225342.db2.gz WEJSZZUGSNCRPU-HNNXBMFYSA-N 1 1 343.431 0.531 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc(N3CCCC3)n2)C1 ZINC001073798969 787225344 /nfs/dbraw/zinc/22/53/44/787225344.db2.gz WEJSZZUGSNCRPU-HNNXBMFYSA-N 1 1 343.431 0.531 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)nn1 ZINC001073807407 787238978 /nfs/dbraw/zinc/23/89/78/787238978.db2.gz OFMPDOJBRWJELB-LSDHHAIUSA-N 1 1 349.435 0.321 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001074565713 787272124 /nfs/dbraw/zinc/27/21/24/787272124.db2.gz RTSXJKFTRIFRQK-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001073824186 787276720 /nfs/dbraw/zinc/27/67/20/787276720.db2.gz PGSDSVYOUOBBFM-MRXNPFEDSA-N 1 1 344.415 0.884 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001074579324 787309271 /nfs/dbraw/zinc/30/92/71/787309271.db2.gz CJMYEHJZQGCJJD-UHFFFAOYSA-N 1 1 337.464 0.456 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001074593306 787348389 /nfs/dbraw/zinc/34/83/89/787348389.db2.gz NSWXVODITVFVQV-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001073856258 787372409 /nfs/dbraw/zinc/37/24/09/787372409.db2.gz ARHMJMYRHRHLPX-GFCCVEGCSA-N 1 1 331.376 0.442 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001073859707 787381485 /nfs/dbraw/zinc/38/14/85/787381485.db2.gz RJCXFIGQAIBPKB-ZIAGYGMSSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001073862829 787390664 /nfs/dbraw/zinc/39/06/64/787390664.db2.gz YPLYBULHTYKSPS-ZDUSSCGKSA-N 1 1 341.367 0.024 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001073862829 787390675 /nfs/dbraw/zinc/39/06/75/787390675.db2.gz YPLYBULHTYKSPS-ZDUSSCGKSA-N 1 1 341.367 0.024 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001073873617 787416004 /nfs/dbraw/zinc/41/60/04/787416004.db2.gz FXWJCHXYIYRNRD-LSDHHAIUSA-N 1 1 330.432 0.919 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001073873617 787416013 /nfs/dbraw/zinc/41/60/13/787416013.db2.gz FXWJCHXYIYRNRD-LSDHHAIUSA-N 1 1 330.432 0.919 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001073885932 787435012 /nfs/dbraw/zinc/43/50/12/787435012.db2.gz CEBJBAFJDJKLKX-HNNXBMFYSA-N 1 1 336.436 0.008 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001073895941 787465164 /nfs/dbraw/zinc/46/51/64/787465164.db2.gz GMPNXGYBFKKLBT-ZBFHGGJFSA-N 1 1 332.375 0.970 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001073895941 787465166 /nfs/dbraw/zinc/46/51/66/787465166.db2.gz GMPNXGYBFKKLBT-ZBFHGGJFSA-N 1 1 332.375 0.970 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3cnc[nH]3)[C@H]2C)C1=O ZINC001074680709 787577620 /nfs/dbraw/zinc/57/76/20/787577620.db2.gz WUOUMEYIVRNYTB-BPUTZDHNSA-N 1 1 345.447 0.708 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001073962336 787593054 /nfs/dbraw/zinc/59/30/54/787593054.db2.gz CXVGIMRPOXYCQT-JKSUJKDBSA-N 1 1 337.464 0.720 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001074705120 787643457 /nfs/dbraw/zinc/64/34/57/787643457.db2.gz NDKLMCFJXUSFMR-CQSZACIVSA-N 1 1 338.452 0.348 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001074026761 787715848 /nfs/dbraw/zinc/71/58/48/787715848.db2.gz FWTVYLNYSUPLDD-RDJZCZTQSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001074094443 787871274 /nfs/dbraw/zinc/87/12/74/787871274.db2.gz YMFCITFBCJMSLQ-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CC[N@@H+]1CCn2c(nnc2C2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001074110024 787897746 /nfs/dbraw/zinc/89/77/46/787897746.db2.gz SJXQXOMDQHDDRY-UHFFFAOYSA-N 1 1 342.407 0.418 20 30 ECEDMO C=CC[N@H+]1CCn2c(nnc2C2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001074110024 787897758 /nfs/dbraw/zinc/89/77/58/787897758.db2.gz SJXQXOMDQHDDRY-UHFFFAOYSA-N 1 1 342.407 0.418 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 ZINC001074169636 787979706 /nfs/dbraw/zinc/97/97/06/787979706.db2.gz AMASCXJJKPPLGW-JKSUJKDBSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 ZINC001074169636 787979712 /nfs/dbraw/zinc/97/97/12/787979712.db2.gz AMASCXJJKPPLGW-JKSUJKDBSA-N 1 1 333.436 0.936 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)CSCC#N)C[C@H]1C ZINC001074844114 788420589 /nfs/dbraw/zinc/42/05/89/788420589.db2.gz WKEKUSFRIZUGBQ-TZMCWYRMSA-N 1 1 349.460 0.944 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001072739801 788680853 /nfs/dbraw/zinc/68/08/53/788680853.db2.gz QUNSRVKCHRDORL-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001074992441 788682273 /nfs/dbraw/zinc/68/22/73/788682273.db2.gz DVNDIOQIHQNVBO-ZBFHGGJFSA-N 1 1 346.431 0.727 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001075000077 788699842 /nfs/dbraw/zinc/69/98/42/788699842.db2.gz SUXGHBZYCRPDLO-HIFRSBDPSA-N 1 1 334.420 0.890 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072747050 788703656 /nfs/dbraw/zinc/70/36/56/788703656.db2.gz AXQNISYJWCNEMT-KFWWJZLASA-N 1 1 333.432 0.390 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1nonc1C)C2 ZINC001072822437 788890550 /nfs/dbraw/zinc/89/05/50/788890550.db2.gz GXYWMKPQGOTPTR-INIZCTEOSA-N 1 1 343.431 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1nonc1C)C2 ZINC001072822437 788890560 /nfs/dbraw/zinc/89/05/60/788890560.db2.gz GXYWMKPQGOTPTR-INIZCTEOSA-N 1 1 343.431 0.510 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]C[C@H]3CCOC3)[C@@H]2C)CC1 ZINC001075128885 788947450 /nfs/dbraw/zinc/94/74/50/788947450.db2.gz BMDZCCRLPPBKJA-JZXOWHBKSA-N 1 1 333.476 0.947 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001072867373 788993275 /nfs/dbraw/zinc/99/32/75/788993275.db2.gz BNOVJXKSCGEWJP-ZDUSSCGKSA-N 1 1 331.420 0.657 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001072874853 789006585 /nfs/dbraw/zinc/00/65/85/789006585.db2.gz GKSDIWUXNNDMMQ-UHFFFAOYSA-N 1 1 340.855 0.047 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001072874853 789006597 /nfs/dbraw/zinc/00/65/97/789006597.db2.gz GKSDIWUXNNDMMQ-UHFFFAOYSA-N 1 1 340.855 0.047 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001075189480 789037015 /nfs/dbraw/zinc/03/70/15/789037015.db2.gz RYVILFONBJOXLO-CVEARBPZSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C3CCCC3)C2)C1 ZINC001072911074 789095164 /nfs/dbraw/zinc/09/51/64/789095164.db2.gz JHGWVMXYDARWFD-KRWDZBQOSA-N 1 1 331.460 0.797 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H](OC)C(C)C)C3)C2)C1=O ZINC001072944894 789148977 /nfs/dbraw/zinc/14/89/77/789148977.db2.gz NINUZSYVEQGFSC-JKSUJKDBSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073038792 789321915 /nfs/dbraw/zinc/32/19/15/789321915.db2.gz REHDOQYKOFJBOV-CABCVRRESA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001075395361 789322076 /nfs/dbraw/zinc/32/20/76/789322076.db2.gz OYGAGYCGXSLBFX-NVXWUHKLSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001075395361 789322082 /nfs/dbraw/zinc/32/20/82/789322082.db2.gz OYGAGYCGXSLBFX-NVXWUHKLSA-N 1 1 345.447 0.746 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001075394932 789322197 /nfs/dbraw/zinc/32/21/97/789322197.db2.gz JAUQKAVNEWXFSF-GDBMZVCRSA-N 1 1 346.431 0.748 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001073041767 789331535 /nfs/dbraw/zinc/33/15/35/789331535.db2.gz LCHUSPPGALPLFC-CQSZACIVSA-N 1 1 346.431 0.727 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4nc(C)c[nH]4)C3)C2)C1=O ZINC001073046040 789340326 /nfs/dbraw/zinc/34/03/26/789340326.db2.gz KWEDLVNXQISAAX-AWEZNQCLSA-N 1 1 343.431 0.653 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001073050984 789348654 /nfs/dbraw/zinc/34/86/54/789348654.db2.gz IDGXDTUFKLOWLR-KKUMJFAQSA-N 1 1 333.432 0.390 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cccc(-n4cncn4)n3)C2)C1 ZINC001073087800 789421098 /nfs/dbraw/zinc/42/10/98/789421098.db2.gz KINWUTURZZLDHC-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)C3(N4CCOCC4)CCC3)C2)C1 ZINC001073095814 789433742 /nfs/dbraw/zinc/43/37/42/789433742.db2.gz GLSGMYCLPJKORU-UHFFFAOYSA-N 1 1 331.460 0.799 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C)no4)[C@@H]3C2)C1=O ZINC001075543434 789475657 /nfs/dbraw/zinc/47/56/57/789475657.db2.gz HFYASARYCYPHAY-RRFJBIMHSA-N 1 1 344.415 0.916 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001073150458 789531239 /nfs/dbraw/zinc/53/12/39/789531239.db2.gz WOZHSSLOLUGOFN-HNNXBMFYSA-N 1 1 341.477 0.569 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001075632764 789596874 /nfs/dbraw/zinc/59/68/74/789596874.db2.gz LPNHFKRXFYSNLG-DZGCQCFKSA-N 1 1 342.399 0.475 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001073260592 789668843 /nfs/dbraw/zinc/66/88/43/789668843.db2.gz OBFMERCKKFCAGS-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001073355760 789757586 /nfs/dbraw/zinc/75/75/86/789757586.db2.gz UXTXTLUORWVMMU-CVEARBPZSA-N 1 1 349.475 0.720 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001073355760 789757588 /nfs/dbraw/zinc/75/75/88/789757588.db2.gz UXTXTLUORWVMMU-CVEARBPZSA-N 1 1 349.475 0.720 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001073379104 789772857 /nfs/dbraw/zinc/77/28/57/789772857.db2.gz UINULJRNLHSQAT-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001073379104 789772863 /nfs/dbraw/zinc/77/28/63/789772863.db2.gz UINULJRNLHSQAT-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC3(CN(C(=O)C[NH+]4CCCC4)C3)C2)C1=O ZINC001073430587 789832407 /nfs/dbraw/zinc/83/24/07/789832407.db2.gz IMSBJWVOMKTJAQ-MRXNPFEDSA-N 1 1 346.475 0.403 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3c(OC)ncnc3OC)C2)C1 ZINC001073488230 789894233 /nfs/dbraw/zinc/89/42/33/789894233.db2.gz WCOADYPNDUSUOL-UHFFFAOYSA-N 1 1 330.388 0.665 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3ccnc(C#N)n3)C(C)(C)C2)C1 ZINC001069616391 789934506 /nfs/dbraw/zinc/93/45/06/789934506.db2.gz OXSJNGAAOXNLLF-ZIAGYGMSSA-N 1 1 342.447 0.761 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069787230 790033667 /nfs/dbraw/zinc/03/36/67/790033667.db2.gz YGOHWVKVHVSJTI-UHFFFAOYSA-N 1 1 325.376 0.377 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001069820434 790054929 /nfs/dbraw/zinc/05/49/29/790054929.db2.gz PUCRYXOFMPMNGG-AWEZNQCLSA-N 1 1 326.404 0.553 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 ZINC001069831152 790064609 /nfs/dbraw/zinc/06/46/09/790064609.db2.gz WWYXWXLAIARJPM-CJNGLKHVSA-N 1 1 340.431 0.799 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 ZINC001069831153 790064811 /nfs/dbraw/zinc/06/48/11/790064811.db2.gz WWYXWXLAIARJPM-CZUORRHYSA-N 1 1 340.431 0.799 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)c2C1 ZINC001069860882 790113749 /nfs/dbraw/zinc/11/37/49/790113749.db2.gz MPCOPBUTNSEZRX-GDBMZVCRSA-N 1 1 342.447 0.713 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)c2C1 ZINC001069873487 790135733 /nfs/dbraw/zinc/13/57/33/790135733.db2.gz HGLBUDXAVILLFF-GDBMZVCRSA-N 1 1 329.448 0.536 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001069894760 790163306 /nfs/dbraw/zinc/16/33/06/790163306.db2.gz KPKKDKMJSBJDAA-CABCVRRESA-N 1 1 329.408 0.633 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001069904166 790173176 /nfs/dbraw/zinc/17/31/76/790173176.db2.gz LFVPRYGTNINJQY-CABCVRRESA-N 1 1 329.408 0.726 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001069910632 790179584 /nfs/dbraw/zinc/17/95/84/790179584.db2.gz DGXVVXNIDMJOJW-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001069910632 790179586 /nfs/dbraw/zinc/17/95/86/790179586.db2.gz DGXVVXNIDMJOJW-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924773 790195516 /nfs/dbraw/zinc/19/55/16/790195516.db2.gz DXHALWKBBRQRAA-ZACQAIPSSA-N 1 1 344.463 0.516 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069927173 790198706 /nfs/dbraw/zinc/19/87/06/790198706.db2.gz MXRPJFKBFFHNJP-WQVCFCJDSA-N 1 1 341.419 0.649 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069927173 790198707 /nfs/dbraw/zinc/19/87/07/790198707.db2.gz MXRPJFKBFFHNJP-WQVCFCJDSA-N 1 1 341.419 0.649 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069927148 790198714 /nfs/dbraw/zinc/19/87/14/790198714.db2.gz LQKJUWZSAURIRQ-ZNMIVQPWSA-N 1 1 341.419 0.649 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069927148 790198716 /nfs/dbraw/zinc/19/87/16/790198716.db2.gz LQKJUWZSAURIRQ-ZNMIVQPWSA-N 1 1 341.419 0.649 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](n2ccnn2)C1 ZINC001069949271 790229069 /nfs/dbraw/zinc/22/90/69/790229069.db2.gz OCMRQTALJQNTLE-HIFRSBDPSA-N 1 1 339.403 0.099 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](n2ccnn2)C1 ZINC001069949271 790229072 /nfs/dbraw/zinc/22/90/72/790229072.db2.gz OCMRQTALJQNTLE-HIFRSBDPSA-N 1 1 339.403 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CC(C)C)CCOCC1 ZINC001069958764 790240644 /nfs/dbraw/zinc/24/06/44/790240644.db2.gz YRWHDWJDVSWYSL-INIZCTEOSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CC(C)C)CCOCC1 ZINC001069958764 790240647 /nfs/dbraw/zinc/24/06/47/790240647.db2.gz YRWHDWJDVSWYSL-INIZCTEOSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(CCF)c2)[C@@H](n2ccnn2)C1 ZINC001069963683 790248668 /nfs/dbraw/zinc/24/86/68/790248668.db2.gz OLFADQJEMMNSIB-KGLIPLIRSA-N 1 1 333.371 0.285 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CCF)c2)[C@@H](n2ccnn2)C1 ZINC001069963683 790248672 /nfs/dbraw/zinc/24/86/72/790248672.db2.gz OLFADQJEMMNSIB-KGLIPLIRSA-N 1 1 333.371 0.285 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)[C@H]1C ZINC001068862101 791290598 /nfs/dbraw/zinc/29/05/98/791290598.db2.gz SVLJLSFODONKJL-BXUZGUMPSA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)[C@@H]1C ZINC001068861953 791290917 /nfs/dbraw/zinc/29/09/17/791290917.db2.gz POZAXTQLQJQQFQ-SMDDNHRTSA-N 1 1 325.376 0.955 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001068864958 791298708 /nfs/dbraw/zinc/29/87/08/791298708.db2.gz PJAYEDDGJYBSDN-HNNXBMFYSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001068874721 791322474 /nfs/dbraw/zinc/32/24/74/791322474.db2.gz WJNFVGWWHBILQE-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)CO2 ZINC001068906321 791388334 /nfs/dbraw/zinc/38/83/34/791388334.db2.gz SWNAXZWZXBCDQB-OAHLLOKOSA-N 1 1 347.459 0.616 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001068912664 791405439 /nfs/dbraw/zinc/40/54/39/791405439.db2.gz LOHUIDOJFNPBQE-QWHCGFSZSA-N 1 1 336.436 0.362 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)[C@@H]1C ZINC001068921104 791424702 /nfs/dbraw/zinc/42/47/02/791424702.db2.gz NYULZEDBEUWWSL-GXTWGEPZSA-N 1 1 325.376 0.955 20 30 ECEDMO C=CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068994951 791563845 /nfs/dbraw/zinc/56/38/45/791563845.db2.gz SJGFDMHHVYVNTD-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)CO2 ZINC001069041008 791638562 /nfs/dbraw/zinc/63/85/62/791638562.db2.gz SDFJQSUBNYCPHS-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119571 791720887 /nfs/dbraw/zinc/72/08/87/791720887.db2.gz VKZQCOZUKQGYFF-UONOGXRCSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001066675815 791970429 /nfs/dbraw/zinc/97/04/29/791970429.db2.gz UFHUBNJQSXQREY-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](CNc2ccc(C#N)nn2)C1 ZINC001066690046 791998856 /nfs/dbraw/zinc/99/88/56/791998856.db2.gz CTNCTLZLEIICGE-LSDHHAIUSA-N 1 1 344.419 0.472 20 30 ECEDMO CO[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066699297 792024127 /nfs/dbraw/zinc/02/41/27/792024127.db2.gz WTJLTWLZXHSHBN-PBHICJAKSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)c1nccnc1C#N ZINC001067762513 792245307 /nfs/dbraw/zinc/24/53/07/792245307.db2.gz BZWOZUWFNIXDHY-KGLIPLIRSA-N 1 1 328.420 0.727 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(Nc2ccc(C#N)cn2)C1 ZINC001066890860 792292147 /nfs/dbraw/zinc/29/21/47/792292147.db2.gz RAHXBMNTIVVFDD-CRAIPNDOSA-N 1 1 343.431 0.813 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2ccncc2C#N)C1 ZINC001066891270 792294152 /nfs/dbraw/zinc/29/41/52/792294152.db2.gz XWVLCLMRXOMSQS-FUHWJXTLSA-N 1 1 343.431 0.235 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(Nc3ccc(C#N)cn3)C2)C1 ZINC001066906298 792341476 /nfs/dbraw/zinc/34/14/76/792341476.db2.gz PUCXKHBELJDJJD-CRAIPNDOSA-N 1 1 343.431 0.670 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(Nc3ccc(C#N)nn3)C2)C1 ZINC001066906485 792342800 /nfs/dbraw/zinc/34/28/00/792342800.db2.gz VAALNGAFYQUZQB-SUMWQHHRSA-N 1 1 344.419 0.065 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)COCC1CC1 ZINC001066917473 792380332 /nfs/dbraw/zinc/38/03/32/792380332.db2.gz ZWPJNRXPZOZUFV-KRWDZBQOSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)COCC1CC1 ZINC001066917473 792380342 /nfs/dbraw/zinc/38/03/42/792380342.db2.gz ZWPJNRXPZOZUFV-KRWDZBQOSA-N 1 1 349.475 0.818 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(CNc3ccc(C#N)nn3)C2)C1 ZINC001067888997 792426855 /nfs/dbraw/zinc/42/68/55/792426855.db2.gz KVSSMONGZAWMIY-DNOWBOINSA-N 1 1 328.420 0.997 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC[C@H]1C ZINC001067980208 792537895 /nfs/dbraw/zinc/53/78/95/792537895.db2.gz LOYJNAXWQLIBEN-OCCSQVGLSA-N 1 1 339.403 0.884 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@@H](C)C#N)C1 ZINC001068006693 792566783 /nfs/dbraw/zinc/56/67/83/792566783.db2.gz XWOPGDVELVJAIF-LSDHHAIUSA-N 1 1 338.452 0.562 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(c3ccc(C#N)nn3)CC2(C)C)C1 ZINC001068113431 792693158 /nfs/dbraw/zinc/69/31/58/792693158.db2.gz JHEUOUYHYAGECH-OCCSQVGLSA-N 1 1 328.420 0.631 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(c3nccnc3C#N)CC2(C)C)C1 ZINC001068113699 792694281 /nfs/dbraw/zinc/69/42/81/792694281.db2.gz POLWZHIWUVQZPT-JSGCOSHPSA-N 1 1 328.420 0.631 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)n1 ZINC001068157310 792757084 /nfs/dbraw/zinc/75/70/84/792757084.db2.gz CLMOYWSTYWUKKB-LVQVYYBASA-N 1 1 340.431 0.549 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3cnc(C#N)cn3)CC2)C1 ZINC001067250204 792885788 /nfs/dbraw/zinc/88/57/88/792885788.db2.gz GERCPIMBXJKRRQ-CQSZACIVSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3cnc(C#N)cn3)CC2)C1 ZINC001067250204 792885797 /nfs/dbraw/zinc/88/57/97/792885797.db2.gz GERCPIMBXJKRRQ-CQSZACIVSA-N 1 1 344.419 0.472 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)C#CC1CC1 ZINC001067380590 793062259 /nfs/dbraw/zinc/06/22/59/793062259.db2.gz PSKVBPVHVDTJGO-IAGOWNOFSA-N 1 1 347.459 0.570 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](CNc2ccnc(C#N)n2)C[C@H]1C ZINC001068359460 793123302 /nfs/dbraw/zinc/12/33/02/793123302.db2.gz RAAGQTGZELJZEO-OCCSQVGLSA-N 1 1 339.403 0.624 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001067427521 793140617 /nfs/dbraw/zinc/14/06/17/793140617.db2.gz JRXCCYUYXDBNEI-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CCCCCC(=O)N1CCOC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001068383344 793164197 /nfs/dbraw/zinc/16/41/97/793164197.db2.gz MSFVZARSHDMLGG-UHFFFAOYSA-N 1 1 349.475 0.960 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001068420384 793278123 /nfs/dbraw/zinc/27/81/23/793278123.db2.gz OGXZCQBRRKJGPF-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO CC#CCCCC(=O)N1CCOC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001068436544 793311917 /nfs/dbraw/zinc/31/19/17/793311917.db2.gz LRPKOKFSCFMAIG-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001267465455 837469790 /nfs/dbraw/zinc/46/97/90/837469790.db2.gz GGMQJEJHOPHAGF-JKSUJKDBSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N(C)CC[NH2+]Cc1nccc(C)n1 ZINC001267475235 837504250 /nfs/dbraw/zinc/50/42/50/837504250.db2.gz YTSVKAZBUAWUJJ-UHFFFAOYSA-N 1 1 348.451 0.597 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001267481555 837536056 /nfs/dbraw/zinc/53/60/56/837536056.db2.gz JHSYODDUKIXAQI-CVEARBPZSA-N 1 1 344.463 0.962 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)n2cccn2)C1 ZINC001267507059 837592762 /nfs/dbraw/zinc/59/27/62/837592762.db2.gz AMHKVBYNSPWSJS-GJZGRUSLSA-N 1 1 333.436 0.575 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cccc(C)n2)C1 ZINC001267509354 837598002 /nfs/dbraw/zinc/59/80/02/837598002.db2.gz RPOWZEDHFKTNTR-HZPDHXFCSA-N 1 1 342.443 0.970 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)c1cnn2cc[nH]c12)CC(=O)NCC#N ZINC001267511546 837603683 /nfs/dbraw/zinc/60/36/83/837603683.db2.gz QKQFBACEUZDXKA-UHFFFAOYSA-N 1 1 345.407 0.132 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](CNC(=O)c1cncnc1)c1ccccc1 ZINC001267519011 837665771 /nfs/dbraw/zinc/66/57/71/837665771.db2.gz CXEZCMJJXFHBPD-INIZCTEOSA-N 1 1 339.399 0.840 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)c1cnco1)c1ccccc1 ZINC001267519981 837670407 /nfs/dbraw/zinc/67/04/07/837670407.db2.gz NXRSVMRPZXKVSV-DZGCQCFKSA-N 1 1 340.383 0.873 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1ncccn1)c1ccccc1 ZINC001267526994 837694799 /nfs/dbraw/zinc/69/47/99/837694799.db2.gz ZMYJQIWDIHHZDB-OAHLLOKOSA-N 1 1 337.383 0.287 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267536658 837717677 /nfs/dbraw/zinc/71/76/77/837717677.db2.gz XQLHUVXUGUEIBH-AWEZNQCLSA-N 1 1 345.447 0.092 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001267539633 837723233 /nfs/dbraw/zinc/72/32/33/837723233.db2.gz IQXSUJUVEAUQHK-CRAIPNDOSA-N 1 1 337.464 0.859 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001267539633 837723240 /nfs/dbraw/zinc/72/32/40/837723240.db2.gz IQXSUJUVEAUQHK-CRAIPNDOSA-N 1 1 337.464 0.859 20 30 ECEDMO CCCN(C(=O)C[C@H]1COC(=O)C1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267541350 837726487 /nfs/dbraw/zinc/72/64/87/837726487.db2.gz ZGBBPULNZCGUTJ-HZPDHXFCSA-N 1 1 336.432 0.902 20 30 ECEDMO CCCN(C(=O)C[C@H]1COC(=O)C1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267541350 837726493 /nfs/dbraw/zinc/72/64/93/837726493.db2.gz ZGBBPULNZCGUTJ-HZPDHXFCSA-N 1 1 336.432 0.902 20 30 ECEDMO CCCN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267545821 837738036 /nfs/dbraw/zinc/73/80/36/837738036.db2.gz FEELZZPWBHIEAH-CQSZACIVSA-N 1 1 332.404 0.346 20 30 ECEDMO CCCN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267545821 837738039 /nfs/dbraw/zinc/73/80/39/837738039.db2.gz FEELZZPWBHIEAH-CQSZACIVSA-N 1 1 332.404 0.346 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001267547589 837743336 /nfs/dbraw/zinc/74/33/36/837743336.db2.gz PMYJYLVQOBUVPT-CQSZACIVSA-N 1 1 327.388 0.995 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001267548860 837745987 /nfs/dbraw/zinc/74/59/87/837745987.db2.gz OBMAAZUECMEOJB-AWEZNQCLSA-N 1 1 334.420 0.217 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C2CCC(O)CC2)C1 ZINC001267554778 837760376 /nfs/dbraw/zinc/76/03/76/837760376.db2.gz BYFRRKKMMCXITE-NFOMZHRRSA-N 1 1 336.436 0.005 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2cn(C)nc2COC)C1 ZINC001267557267 837766448 /nfs/dbraw/zinc/76/64/48/837766448.db2.gz AXVZJJKCONSUFJ-OAHLLOKOSA-N 1 1 348.447 0.658 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001267560203 837769093 /nfs/dbraw/zinc/76/90/93/837769093.db2.gz HWKWVWMYWFUISJ-XHSDSOJGSA-N 1 1 335.448 0.651 20 30 ECEDMO Cc1ccoc1CC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267565255 837780205 /nfs/dbraw/zinc/78/02/05/837780205.db2.gz KXHVIBMRUJTWFR-CQSZACIVSA-N 1 1 332.404 0.599 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)C(N)=O)C2)cc1 ZINC001267565045 837780457 /nfs/dbraw/zinc/78/04/57/837780457.db2.gz XRPYGFTYXQERQK-AWEZNQCLSA-N 1 1 330.388 0.402 20 30 ECEDMO CCCN1C[C@@H](C(=O)NCC[C@H]2CC[N@@H+](CC#CCOC)C2)CC1=O ZINC001267568665 837791129 /nfs/dbraw/zinc/79/11/29/837791129.db2.gz WICWWAMGDRXVFO-IRXDYDNUSA-N 1 1 349.475 0.723 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267571817 837806711 /nfs/dbraw/zinc/80/67/11/837806711.db2.gz UAZICKVKAAXVAC-VXGBXAGGSA-N 1 1 327.812 0.620 20 30 ECEDMO Cc1cnn(CCC(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267571707 837806805 /nfs/dbraw/zinc/80/68/05/837806805.db2.gz RAVDAWXKBMJESI-OAHLLOKOSA-N 1 1 346.435 0.050 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC001267573170 837814243 /nfs/dbraw/zinc/81/42/43/837814243.db2.gz MEMXQWYLECOFPQ-KRWDZBQOSA-N 1 1 348.491 0.200 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC001267573170 837814249 /nfs/dbraw/zinc/81/42/49/837814249.db2.gz MEMXQWYLECOFPQ-KRWDZBQOSA-N 1 1 348.491 0.200 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)c2coc(OCC)n2)CC1 ZINC001267573541 837817185 /nfs/dbraw/zinc/81/71/85/837817185.db2.gz SVWTWIVZHRRONC-UHFFFAOYSA-N 1 1 334.420 0.786 20 30 ECEDMO C=CCC[C@H](C)[NH+]1CCN(CCN(C)C(=O)Cc2ncn[nH]2)CC1 ZINC001267576135 837829163 /nfs/dbraw/zinc/82/91/63/837829163.db2.gz RVUCKSZVCOGBEC-HNNXBMFYSA-N 1 1 334.468 0.778 20 30 ECEDMO CC/C(C)=C\C(=O)NCCC[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC001266261981 835572107 /nfs/dbraw/zinc/57/21/07/835572107.db2.gz ABCWYZXUMUEWRI-SQFISAMPSA-N 1 1 335.452 0.106 20 30 ECEDMO CC/C(C)=C/C(=O)NCCC[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC001266261977 835572495 /nfs/dbraw/zinc/57/24/95/835572495.db2.gz ABCWYZXUMUEWRI-FYWRMAATSA-N 1 1 335.452 0.106 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)c2cc(OC)ns2)CC1 ZINC001266264599 835577070 /nfs/dbraw/zinc/57/70/70/835577070.db2.gz ABTFTAZWGBRAML-UHFFFAOYSA-N 1 1 336.461 0.913 20 30 ECEDMO C=C(C)CN1CC[NH+](CCCNC(=O)CN2CCCCC2=O)CC1 ZINC001266267083 835583510 /nfs/dbraw/zinc/58/35/10/835583510.db2.gz NOIJNDNJGYOKQY-UHFFFAOYSA-N 1 1 336.480 0.699 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCCNC(=O)c2oncc2C)CC1 ZINC001266275780 835600474 /nfs/dbraw/zinc/60/04/74/835600474.db2.gz LYFHXGPEFVAQIV-UHFFFAOYSA-N 1 1 349.435 0.023 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCC[C@H]1C ZINC001266276857 835601731 /nfs/dbraw/zinc/60/17/31/835601731.db2.gz DMMPIWOVCCYYBI-KGLIPLIRSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCC[C@H]1C ZINC001266276857 835601736 /nfs/dbraw/zinc/60/17/36/835601736.db2.gz DMMPIWOVCCYYBI-KGLIPLIRSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCCN1CC[NH+](CC#CC)CC1 ZINC001266297099 835645501 /nfs/dbraw/zinc/64/55/01/835645501.db2.gz JRRHCBJIANJYFN-UHFFFAOYSA-N 1 1 349.479 0.007 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C1(c2cc(C)no2)CC1 ZINC001266312913 835679889 /nfs/dbraw/zinc/67/98/89/835679889.db2.gz BQGXAFYABBMRCX-ZDUSSCGKSA-N 1 1 332.404 0.201 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C1(c2cc(C)no2)CC1 ZINC001266312913 835679894 /nfs/dbraw/zinc/67/98/94/835679894.db2.gz BQGXAFYABBMRCX-ZDUSSCGKSA-N 1 1 332.404 0.201 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C1(c2cc(C)no2)CC1 ZINC001266312910 835680087 /nfs/dbraw/zinc/68/00/87/835680087.db2.gz BQGXAFYABBMRCX-CYBMUJFWSA-N 1 1 332.404 0.201 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C1(c2cc(C)no2)CC1 ZINC001266312910 835680091 /nfs/dbraw/zinc/68/00/91/835680091.db2.gz BQGXAFYABBMRCX-CYBMUJFWSA-N 1 1 332.404 0.201 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1c(F)cccc1F ZINC001266314223 835681720 /nfs/dbraw/zinc/68/17/20/835681720.db2.gz UDDAANGNEXTZBC-LBPRGKRZSA-N 1 1 337.370 0.693 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1c(F)cccc1F ZINC001266314223 835681726 /nfs/dbraw/zinc/68/17/26/835681726.db2.gz UDDAANGNEXTZBC-LBPRGKRZSA-N 1 1 337.370 0.693 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC001266318023 835686591 /nfs/dbraw/zinc/68/65/91/835686591.db2.gz XQRNHJCUVSYEND-HZPDHXFCSA-N 1 1 338.448 0.537 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2cccc(OC)c2)C1 ZINC001266319095 835688443 /nfs/dbraw/zinc/68/84/43/835688443.db2.gz HAJYCNZQMUCZDS-FUHWJXTLSA-N 1 1 346.427 0.959 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001266319614 835689138 /nfs/dbraw/zinc/68/91/38/835689138.db2.gz OKJNFUYFRHYEAD-CYBMUJFWSA-N 1 1 334.420 0.167 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001266319614 835689140 /nfs/dbraw/zinc/68/91/40/835689140.db2.gz OKJNFUYFRHYEAD-CYBMUJFWSA-N 1 1 334.420 0.167 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001266321254 835693609 /nfs/dbraw/zinc/69/36/09/835693609.db2.gz NBASJPZLFVVQSK-CABCVRRESA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001266330546 835712540 /nfs/dbraw/zinc/71/25/40/835712540.db2.gz ZDARSRBMFFQYEL-MAUKXSAKSA-N 1 1 341.455 0.977 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001266330546 835712544 /nfs/dbraw/zinc/71/25/44/835712544.db2.gz ZDARSRBMFFQYEL-MAUKXSAKSA-N 1 1 341.455 0.977 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001266343934 835731738 /nfs/dbraw/zinc/73/17/38/835731738.db2.gz BAOFWNYYRGKUSC-NVXWUHKLSA-N 1 1 347.463 0.624 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001266347712 835740389 /nfs/dbraw/zinc/74/03/89/835740389.db2.gz OSYMUQKYWFHJME-CYBMUJFWSA-N 1 1 334.420 0.785 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001266347712 835740393 /nfs/dbraw/zinc/74/03/93/835740393.db2.gz OSYMUQKYWFHJME-CYBMUJFWSA-N 1 1 334.420 0.785 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)CCc2cncn2C)C1=O ZINC001266354835 835757808 /nfs/dbraw/zinc/75/78/08/835757808.db2.gz OXZNWXFOPZUEJS-HNNXBMFYSA-N 1 1 333.436 0.188 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)CCc2cncn2C)C1=O ZINC001266354835 835757815 /nfs/dbraw/zinc/75/78/15/835757815.db2.gz OXZNWXFOPZUEJS-HNNXBMFYSA-N 1 1 333.436 0.188 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)CCc2c(C)n[nH]c2C)C1=O ZINC001266357651 835763622 /nfs/dbraw/zinc/76/36/22/835763622.db2.gz CVJQVFRXYYDGFI-MRXNPFEDSA-N 1 1 347.463 0.794 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CCc2c(C)n[nH]c2C)C1=O ZINC001266357651 835763629 /nfs/dbraw/zinc/76/36/29/835763629.db2.gz CVJQVFRXYYDGFI-MRXNPFEDSA-N 1 1 347.463 0.794 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@H+](C[C@H](CC)OC)C1 ZINC001266361686 835771598 /nfs/dbraw/zinc/77/15/98/835771598.db2.gz QDAAFJBIIRFNDZ-KGLIPLIRSA-N 1 1 340.468 0.866 20 30 ECEDMO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CNS(=O)(=O)CC ZINC001282668219 835801599 /nfs/dbraw/zinc/80/15/99/835801599.db2.gz VTQYZRQJPFCHSX-CQSZACIVSA-N 1 1 331.482 0.863 20 30 ECEDMO CC#CC[NH2+][C@H](CNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1)C1CC1 ZINC001266417687 835822781 /nfs/dbraw/zinc/82/27/81/835822781.db2.gz HNQVFLRGTXOYRZ-MRXNPFEDSA-N 1 1 332.448 0.883 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C2CC2)nn1 ZINC001266433754 835838413 /nfs/dbraw/zinc/83/84/13/835838413.db2.gz KKFCSYZKIOOSGC-GFCCVEGCSA-N 1 1 330.396 0.189 20 30 ECEDMO CC[N@@H+](CCNC(=O)C[C@H]1CC(=O)NC1=O)Cc1ccc(C#N)cc1 ZINC001266440318 835844948 /nfs/dbraw/zinc/84/49/48/835844948.db2.gz OJURUHZICCGTIB-HNNXBMFYSA-N 1 1 342.399 0.549 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc(C)no2)C1 ZINC001266447826 835851194 /nfs/dbraw/zinc/85/11/94/835851194.db2.gz ANNQNOCYVPNVPZ-CQSZACIVSA-N 1 1 332.404 0.516 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NCC ZINC001266450389 835853675 /nfs/dbraw/zinc/85/36/75/835853675.db2.gz NAHKABGHXVAECX-QWHCGFSZSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NCC ZINC001266450389 835853677 /nfs/dbraw/zinc/85/36/77/835853677.db2.gz NAHKABGHXVAECX-QWHCGFSZSA-N 1 1 340.424 0.004 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 ZINC001266451581 835855231 /nfs/dbraw/zinc/85/52/31/835855231.db2.gz FIMCDLAYVUIWFV-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)Cc2cc(C)on2)C1=O ZINC001266453469 835856796 /nfs/dbraw/zinc/85/67/96/835856796.db2.gz GCIWRBOZSZGBCL-CVEARBPZSA-N 1 1 346.431 0.893 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)/C=C(\C)CC ZINC001266461570 835863986 /nfs/dbraw/zinc/86/39/86/835863986.db2.gz ROSLOSGNYXSAIO-JWAFFJSPSA-N 1 1 336.436 0.935 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C(\C)CC ZINC001266461570 835863987 /nfs/dbraw/zinc/86/39/87/835863987.db2.gz ROSLOSGNYXSAIO-JWAFFJSPSA-N 1 1 336.436 0.935 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc(C2CC2)nn1 ZINC001266468022 835870673 /nfs/dbraw/zinc/87/06/73/835870673.db2.gz IAKSXLVLCOOUGQ-HNNXBMFYSA-N 1 1 331.420 0.386 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001266471168 835874517 /nfs/dbraw/zinc/87/45/17/835874517.db2.gz JUYVPGDEPBHRMX-CABCVRRESA-N 1 1 338.452 0.560 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001266472729 835876427 /nfs/dbraw/zinc/87/64/27/835876427.db2.gz QLGCWCPASOCDTM-CQSZACIVSA-N 1 1 346.431 0.547 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001266477531 835879150 /nfs/dbraw/zinc/87/91/50/835879150.db2.gz RBHKGELYWWAHOK-CBZIJGRNSA-N 1 1 347.459 0.660 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001266477531 835879158 /nfs/dbraw/zinc/87/91/58/835879158.db2.gz RBHKGELYWWAHOK-CBZIJGRNSA-N 1 1 347.459 0.660 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CC)nn1C ZINC001266485778 835885084 /nfs/dbraw/zinc/88/50/84/835885084.db2.gz IZSSVIUVYNUBEL-UKRRQHHQSA-N 1 1 345.447 0.315 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CC)nn1C ZINC001266485778 835885091 /nfs/dbraw/zinc/88/50/91/835885091.db2.gz IZSSVIUVYNUBEL-UKRRQHHQSA-N 1 1 345.447 0.315 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001266488833 835889024 /nfs/dbraw/zinc/88/90/24/835889024.db2.gz QHRYLSJXMKSNJG-ZFWWWQNUSA-N 1 1 345.447 0.397 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001266488833 835889032 /nfs/dbraw/zinc/88/90/32/835889032.db2.gz QHRYLSJXMKSNJG-ZFWWWQNUSA-N 1 1 345.447 0.397 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC001266492689 835892667 /nfs/dbraw/zinc/89/26/67/835892667.db2.gz UVMFUDTUXUDVNH-STQMWFEESA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC001266492689 835892672 /nfs/dbraw/zinc/89/26/72/835892672.db2.gz UVMFUDTUXUDVNH-STQMWFEESA-N 1 1 333.436 0.857 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)/C=C\c2ccco2)C1 ZINC001266497995 835899148 /nfs/dbraw/zinc/89/91/48/835899148.db2.gz OROQKNYFJFXVIQ-NHQLZKDQSA-N 1 1 329.400 0.869 20 30 ECEDMO N#CCSCC(=O)NC[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001266500885 835902092 /nfs/dbraw/zinc/90/20/92/835902092.db2.gz XVQJAVXSWDVXAA-QWHCGFSZSA-N 1 1 334.449 0.460 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccon2)C1 ZINC001266503492 835905032 /nfs/dbraw/zinc/90/50/32/835905032.db2.gz WINCVKMCAXTHTE-AWEZNQCLSA-N 1 1 332.404 0.927 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](CCn2nc(C)nc2C)C1 ZINC001266511105 835918564 /nfs/dbraw/zinc/91/85/64/835918564.db2.gz JGKVJXCBEFMXNN-RDJZCZTQSA-N 1 1 335.452 0.660 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001266511972 835920330 /nfs/dbraw/zinc/92/03/30/835920330.db2.gz VMPPRAOFZLSSNX-AWEZNQCLSA-N 1 1 334.420 0.170 20 30 ECEDMO CC(C)(C)c1nc[nH]c1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266515075 835926349 /nfs/dbraw/zinc/92/63/49/835926349.db2.gz ZBMQCMNZQLRXDD-GFCCVEGCSA-N 1 1 346.435 0.399 20 30 ECEDMO CC(C)(C)c1nc[nH]c1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266515075 835926354 /nfs/dbraw/zinc/92/63/54/835926354.db2.gz ZBMQCMNZQLRXDD-GFCCVEGCSA-N 1 1 346.435 0.399 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2(C(F)(F)F)CCC2)C1 ZINC001266519985 835931842 /nfs/dbraw/zinc/93/18/42/835931842.db2.gz CQHCSQPKWOTNLY-NSHDSACASA-N 1 1 346.353 0.797 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2(C(F)(F)F)CCC2)C1 ZINC001266519985 835931847 /nfs/dbraw/zinc/93/18/47/835931847.db2.gz CQHCSQPKWOTNLY-NSHDSACASA-N 1 1 346.353 0.797 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)c2cccnc2)C1 ZINC001266520085 835931962 /nfs/dbraw/zinc/93/19/62/835931962.db2.gz FVGGXFXNDGLONP-OAHLLOKOSA-N 1 1 342.443 0.547 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC001266520975 835935233 /nfs/dbraw/zinc/93/52/33/835935233.db2.gz XFVLEQYWDYUXJA-CYBMUJFWSA-N 1 1 332.404 0.444 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC001266520954 835935274 /nfs/dbraw/zinc/93/52/74/835935274.db2.gz WXAZDUBTAWGNEW-KGLIPLIRSA-N 1 1 344.415 0.280 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCCC#CC)C1 ZINC001266525481 835939762 /nfs/dbraw/zinc/93/97/62/835939762.db2.gz ISLGNVXBSNQYKR-HNNXBMFYSA-N 1 1 348.447 0.630 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001266524566 835940040 /nfs/dbraw/zinc/94/00/40/835940040.db2.gz UPUPJGBJJACJAT-ZDUSSCGKSA-N 1 1 333.436 0.833 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)Cc3cscn3)C2)C1=O ZINC001266537446 835956326 /nfs/dbraw/zinc/95/63/26/835956326.db2.gz LUTMSWDBFNYLQR-ZFWWWQNUSA-N 1 1 348.472 0.911 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001266540082 835961601 /nfs/dbraw/zinc/96/16/01/835961601.db2.gz OGOYYNOWILNLJP-WMZOPIPTSA-N 1 1 335.448 0.333 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@](C)(NC(C)=O)C(C)C)C1 ZINC001266551247 835977522 /nfs/dbraw/zinc/97/75/22/835977522.db2.gz NZFHHPNLRRFFDG-AEFFLSMTSA-N 1 1 337.464 0.625 20 30 ECEDMO CCC[N@H+](CCNC(=O)C#CC1CC1)CC(=O)NCC(F)(F)F ZINC001266560270 835988479 /nfs/dbraw/zinc/98/84/79/835988479.db2.gz GXGMLRQLZGXDFX-UHFFFAOYSA-N 1 1 333.354 0.907 20 30 ECEDMO CCC[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)NCC(F)(F)F ZINC001266560270 835988483 /nfs/dbraw/zinc/98/84/83/835988483.db2.gz GXGMLRQLZGXDFX-UHFFFAOYSA-N 1 1 333.354 0.907 20 30 ECEDMO C=CCN1CC[C@H](N(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C2CC2)C1=O ZINC001266611514 836045638 /nfs/dbraw/zinc/04/56/38/836045638.db2.gz MIRADBNYHRBBCP-RDJZCZTQSA-N 1 1 348.491 0.696 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc[nH]c2)C1 ZINC001266659073 836095613 /nfs/dbraw/zinc/09/56/13/836095613.db2.gz MAWZBQKMWUGXCF-HUUCEWRRSA-N 1 1 329.404 0.581 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc[nH]c2)C1 ZINC001266659073 836095623 /nfs/dbraw/zinc/09/56/23/836095623.db2.gz MAWZBQKMWUGXCF-HUUCEWRRSA-N 1 1 329.404 0.581 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)c1nc(COC)no1 ZINC001266728663 836208084 /nfs/dbraw/zinc/20/80/84/836208084.db2.gz GMAPBRIAGDSHSJ-KBPBESRZSA-N 1 1 349.435 0.423 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)c1nc(COC)no1 ZINC001266728663 836208093 /nfs/dbraw/zinc/20/80/93/836208093.db2.gz GMAPBRIAGDSHSJ-KBPBESRZSA-N 1 1 349.435 0.423 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccncc2F)C1 ZINC001266743378 836229469 /nfs/dbraw/zinc/22/94/69/836229469.db2.gz NLJZQYDLYNYFFS-ZIAGYGMSSA-N 1 1 346.406 0.800 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001266746073 836232306 /nfs/dbraw/zinc/23/23/06/836232306.db2.gz BOOGHJRFFJUBKU-RDTXWAMCSA-N 1 1 335.448 0.115 20 30 ECEDMO CCn1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](CC#CCOC)C2)n1 ZINC001266750209 836240225 /nfs/dbraw/zinc/24/02/25/836240225.db2.gz RRQYPUAVVJYXDF-INIZCTEOSA-N 1 1 332.448 0.924 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001266755909 836251712 /nfs/dbraw/zinc/25/17/12/836251712.db2.gz VUZVMCACGIAYKW-KBMXLJTQSA-N 1 1 332.448 0.891 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001266755909 836251721 /nfs/dbraw/zinc/25/17/21/836251721.db2.gz VUZVMCACGIAYKW-KBMXLJTQSA-N 1 1 332.448 0.891 20 30 ECEDMO CN(CC[NH2+]Cc1ccccc1C#N)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001266765382 836269810 /nfs/dbraw/zinc/26/98/10/836269810.db2.gz YIRYOKIBLVFMAV-AWEZNQCLSA-N 1 1 349.456 0.931 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)CCOCC)CC2)C1=O ZINC001279511553 836309763 /nfs/dbraw/zinc/30/97/63/836309763.db2.gz PKDSSTPUDYIBTQ-INIZCTEOSA-N 1 1 335.448 0.948 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001279518521 836347011 /nfs/dbraw/zinc/34/70/11/836347011.db2.gz KSRSLLLAJFHUMW-CRAIPNDOSA-N 1 1 335.448 0.211 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCCC ZINC001266839540 836361431 /nfs/dbraw/zinc/36/14/31/836361431.db2.gz CYNCAVUPAUTQHF-YOEHRIQHSA-N 1 1 325.453 0.810 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCCC ZINC001266839540 836361437 /nfs/dbraw/zinc/36/14/37/836361437.db2.gz CYNCAVUPAUTQHF-YOEHRIQHSA-N 1 1 325.453 0.810 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001266841877 836367881 /nfs/dbraw/zinc/36/78/81/836367881.db2.gz DKIGPOKDUWYXJJ-WBVHZDCISA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001266841877 836367892 /nfs/dbraw/zinc/36/78/92/836367892.db2.gz DKIGPOKDUWYXJJ-WBVHZDCISA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1CCCCS1(=O)=O ZINC001266850763 836380749 /nfs/dbraw/zinc/38/07/49/836380749.db2.gz ZURFKZPCAUYPNH-CQSZACIVSA-N 1 1 327.450 0.016 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCS(=O)(=O)N(C)C ZINC001266858013 836393776 /nfs/dbraw/zinc/39/37/76/836393776.db2.gz CENAWRVQWGHXHX-CQSZACIVSA-N 1 1 331.482 0.815 20 30 ECEDMO C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266894477 836444008 /nfs/dbraw/zinc/44/40/08/836444008.db2.gz ZLSMLBZXUBSLOT-UKRRQHHQSA-N 1 1 336.436 0.269 20 30 ECEDMO C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266894477 836444014 /nfs/dbraw/zinc/44/40/14/836444014.db2.gz ZLSMLBZXUBSLOT-UKRRQHHQSA-N 1 1 336.436 0.269 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001266898581 836450568 /nfs/dbraw/zinc/45/05/68/836450568.db2.gz XDKPDSOGBZUOII-KBPBESRZSA-N 1 1 346.431 0.594 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C)C1 ZINC001266904496 836460555 /nfs/dbraw/zinc/46/05/55/836460555.db2.gz LXVOIVPZEKYQTA-AQRJEWBLSA-N 1 1 348.447 0.481 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C)C1 ZINC001266904496 836460559 /nfs/dbraw/zinc/46/05/59/836460559.db2.gz LXVOIVPZEKYQTA-AQRJEWBLSA-N 1 1 348.447 0.481 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C)ncn2)C1 ZINC001267102373 836775048 /nfs/dbraw/zinc/77/50/48/836775048.db2.gz DYQPJFXDRDKHAJ-GJZGRUSLSA-N 1 1 343.431 0.459 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)COC(C)(C)C)C1 ZINC001267102345 836775687 /nfs/dbraw/zinc/77/56/87/836775687.db2.gz DWMWOWZTPLCRIT-HUUCEWRRSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@H]([N@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001267103065 836776468 /nfs/dbraw/zinc/77/64/68/836776468.db2.gz RQYOTBTZDIYIEJ-GJZGRUSLSA-N 1 1 333.432 0.908 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001267102859 836776758 /nfs/dbraw/zinc/77/67/58/836776758.db2.gz OLHSTHMUSCCFHC-CJNGLKHVSA-N 1 1 341.415 0.561 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCCCC)C1 ZINC001267106254 836786717 /nfs/dbraw/zinc/78/67/17/836786717.db2.gz PPOXKJJPEPMCAK-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCCCC)C1 ZINC001267106254 836786721 /nfs/dbraw/zinc/78/67/21/836786721.db2.gz PPOXKJJPEPMCAK-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)nn(C)c2OC)C1 ZINC001267111501 836799161 /nfs/dbraw/zinc/79/91/61/836799161.db2.gz JLRVKBDERJQGJI-OAHLLOKOSA-N 1 1 348.447 0.923 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001267112195 836800492 /nfs/dbraw/zinc/80/04/92/836800492.db2.gz PRGFAUVQDXGFPD-HIFRSBDPSA-N 1 1 333.436 0.566 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NC)C1 ZINC001267114130 836805798 /nfs/dbraw/zinc/80/57/98/836805798.db2.gz XLSLCEPWMQZJGX-CQSZACIVSA-N 1 1 346.431 0.929 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NC)C1 ZINC001267114130 836805813 /nfs/dbraw/zinc/80/58/13/836805813.db2.gz XLSLCEPWMQZJGX-CQSZACIVSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001267114693 836806709 /nfs/dbraw/zinc/80/67/09/836806709.db2.gz LCEDHPZSBKTTAT-CQSZACIVSA-N 1 1 329.466 0.214 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)SC ZINC001267159877 836870388 /nfs/dbraw/zinc/87/03/88/836870388.db2.gz APJLYTAIOZOXKO-UONOGXRCSA-N 1 1 325.478 0.848 20 30 ECEDMO Cc1ncncc1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267160272 836870577 /nfs/dbraw/zinc/87/05/77/836870577.db2.gz DXSOBKGQWIUSRR-CQSZACIVSA-N 1 1 344.419 0.399 20 30 ECEDMO Cc1cnn(CC(=O)NCCC[C@H]2CCC[N@H+]2CC(=O)NCC#N)c1 ZINC001267161764 836875120 /nfs/dbraw/zinc/87/51/20/836875120.db2.gz VQQSUEJREDQGQZ-HNNXBMFYSA-N 1 1 346.435 0.192 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)CN1CCCS1(=O)=O ZINC001267167432 836890582 /nfs/dbraw/zinc/89/05/82/836890582.db2.gz FJYDTLLFZXGINZ-CQSZACIVSA-N 1 1 329.466 0.569 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2ccc(OC)nc2)C1=O ZINC001267206362 836988009 /nfs/dbraw/zinc/98/80/09/836988009.db2.gz XPOWURKFLHKRKD-CQSZACIVSA-N 1 1 332.404 0.539 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2ccc(OC)nc2)C1=O ZINC001267206362 836988018 /nfs/dbraw/zinc/98/80/18/836988018.db2.gz XPOWURKFLHKRKD-CQSZACIVSA-N 1 1 332.404 0.539 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001267207373 836991450 /nfs/dbraw/zinc/99/14/50/836991450.db2.gz GBNOITSOKFBSJD-LLVKDONJSA-N 1 1 344.371 0.333 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001267207373 836991456 /nfs/dbraw/zinc/99/14/56/836991456.db2.gz GBNOITSOKFBSJD-LLVKDONJSA-N 1 1 344.371 0.333 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1noc2c1CCCCC2 ZINC001267219041 837009918 /nfs/dbraw/zinc/00/99/18/837009918.db2.gz KNXOMYSZEMVZNV-CYBMUJFWSA-N 1 1 346.431 0.743 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1noc2c1CCCCC2 ZINC001267219041 837009930 /nfs/dbraw/zinc/00/99/30/837009930.db2.gz KNXOMYSZEMVZNV-CYBMUJFWSA-N 1 1 346.431 0.743 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001267224994 837022213 /nfs/dbraw/zinc/02/22/13/837022213.db2.gz NWCRSWWQTSYTGE-GFCCVEGCSA-N 1 1 346.387 0.113 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001267224994 837022225 /nfs/dbraw/zinc/02/22/25/837022225.db2.gz NWCRSWWQTSYTGE-GFCCVEGCSA-N 1 1 346.387 0.113 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCC[N@@H+](C)Cc1ocnc1C ZINC001267232216 837035208 /nfs/dbraw/zinc/03/52/08/837035208.db2.gz CSDGTRPQTBDGDH-UHFFFAOYSA-N 1 1 337.424 0.795 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCC[N@H+](C)Cc1ocnc1C ZINC001267232216 837035214 /nfs/dbraw/zinc/03/52/14/837035214.db2.gz CSDGTRPQTBDGDH-UHFFFAOYSA-N 1 1 337.424 0.795 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001267241369 837049841 /nfs/dbraw/zinc/04/98/41/837049841.db2.gz USWSNSKNZAUSEA-GASCZTMLSA-N 1 1 335.448 0.474 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001267241369 837049848 /nfs/dbraw/zinc/04/98/48/837049848.db2.gz USWSNSKNZAUSEA-GASCZTMLSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cc(C(C)C)no1 ZINC001267250427 837069142 /nfs/dbraw/zinc/06/91/42/837069142.db2.gz IZYSYWSXOCRFJJ-CYBMUJFWSA-N 1 1 334.420 0.988 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cc(C(C)C)no1 ZINC001267250427 837069149 /nfs/dbraw/zinc/06/91/49/837069149.db2.gz IZYSYWSXOCRFJJ-CYBMUJFWSA-N 1 1 334.420 0.988 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC)[C@H]2CCN(CC=C)C2=O)nc1 ZINC001267255468 837077201 /nfs/dbraw/zinc/07/72/01/837077201.db2.gz HSMKBTHXAIBYRK-KRWDZBQOSA-N 1 1 340.427 0.902 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cncnc1CC ZINC001267256329 837080628 /nfs/dbraw/zinc/08/06/28/837080628.db2.gz RIUOBPOOTCMPTF-ZDUSSCGKSA-N 1 1 331.420 0.229 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cncnc1CC ZINC001267256329 837080639 /nfs/dbraw/zinc/08/06/39/837080639.db2.gz RIUOBPOOTCMPTF-ZDUSSCGKSA-N 1 1 331.420 0.229 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001267257511 837084763 /nfs/dbraw/zinc/08/47/63/837084763.db2.gz YILKLIUVJQPDJV-UHFFFAOYSA-N 1 1 344.371 0.335 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001267257511 837084767 /nfs/dbraw/zinc/08/47/67/837084767.db2.gz YILKLIUVJQPDJV-UHFFFAOYSA-N 1 1 344.371 0.335 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1ccccc1-n1ccnn1 ZINC001267259979 837088937 /nfs/dbraw/zinc/08/89/37/837088937.db2.gz USJQMMLXXZFQAR-UHFFFAOYSA-N 1 1 341.415 0.969 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001267262317 837092627 /nfs/dbraw/zinc/09/26/27/837092627.db2.gz ZNUMKYIMEKUPNN-UKRRQHHQSA-N 1 1 332.404 0.205 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001267262317 837092640 /nfs/dbraw/zinc/09/26/40/837092640.db2.gz ZNUMKYIMEKUPNN-UKRRQHHQSA-N 1 1 332.404 0.205 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC001267264967 837100458 /nfs/dbraw/zinc/10/04/58/837100458.db2.gz VHLVZFGQSBAXOW-DZGCQCFKSA-N 1 1 331.420 0.235 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC001267264967 837100461 /nfs/dbraw/zinc/10/04/61/837100461.db2.gz VHLVZFGQSBAXOW-DZGCQCFKSA-N 1 1 331.420 0.235 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2nonc2c1 ZINC001267273260 837114936 /nfs/dbraw/zinc/11/49/36/837114936.db2.gz DHDOJZIUSCTPLX-CYBMUJFWSA-N 1 1 343.387 0.719 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2nonc2c1 ZINC001267273260 837114943 /nfs/dbraw/zinc/11/49/43/837114943.db2.gz DHDOJZIUSCTPLX-CYBMUJFWSA-N 1 1 343.387 0.719 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nccn2ccnc12 ZINC001267275703 837118215 /nfs/dbraw/zinc/11/82/15/837118215.db2.gz IDOPRFNIFVTXQD-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1nccn2ccnc12 ZINC001267275703 837118223 /nfs/dbraw/zinc/11/82/23/837118223.db2.gz IDOPRFNIFVTXQD-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001267276396 837120055 /nfs/dbraw/zinc/12/00/55/837120055.db2.gz MTTHHNVEBCXLMW-YESZJQIVSA-N 1 1 347.459 0.379 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001267276396 837120061 /nfs/dbraw/zinc/12/00/61/837120061.db2.gz MTTHHNVEBCXLMW-YESZJQIVSA-N 1 1 347.459 0.379 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C1 ZINC001267292001 837144735 /nfs/dbraw/zinc/14/47/35/837144735.db2.gz PXJFIZSRWZTDEX-AWEZNQCLSA-N 1 1 329.466 0.119 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001267293743 837147950 /nfs/dbraw/zinc/14/79/50/837147950.db2.gz YHVSYZMJBGQNIJ-KBPBESRZSA-N 1 1 333.436 0.471 20 30 ECEDMO COCCOC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001267292627 837147999 /nfs/dbraw/zinc/14/79/99/837147999.db2.gz DDRWPTTXKADEJF-CVEARBPZSA-N 1 1 340.464 0.498 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001267297605 837154881 /nfs/dbraw/zinc/15/48/81/837154881.db2.gz DGDDAACCNQTYOY-YJBOKZPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCc2cccnc2)C1 ZINC001267297990 837159151 /nfs/dbraw/zinc/15/91/51/837159151.db2.gz LOSAJZLRXUTBMM-INIZCTEOSA-N 1 1 330.432 0.755 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCc2cccnc2)C1 ZINC001267297991 837159281 /nfs/dbraw/zinc/15/92/81/837159281.db2.gz LOSAJZLRXUTBMM-MRXNPFEDSA-N 1 1 330.432 0.755 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001267307060 837178472 /nfs/dbraw/zinc/17/84/72/837178472.db2.gz KWFVBCUVJMGADZ-HUUCEWRRSA-N 1 1 331.420 0.022 20 30 ECEDMO C=CCCC[N@H+]1CC[C@H](CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001267307835 837181129 /nfs/dbraw/zinc/18/11/29/837181129.db2.gz WVOIMISXFGADFA-OAHLLOKOSA-N 1 1 347.463 0.785 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCC)CCNC(=O)[C@]2(F)CCOC2)C1=O ZINC001267317012 837194083 /nfs/dbraw/zinc/19/40/83/837194083.db2.gz LDNIMCCGKOCKIU-YOEHRIQHSA-N 1 1 341.427 0.730 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C[C@@H]1CCNC(=O)CC1)C1CC1 ZINC001267325241 837201210 /nfs/dbraw/zinc/20/12/10/837201210.db2.gz DSUVTRAXXALTDK-KBXCAEBGSA-N 1 1 337.464 0.810 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(Cc1noc(CC)n1)C1CC1 ZINC001267327112 837205308 /nfs/dbraw/zinc/20/53/08/837205308.db2.gz BCAZCBNKBHXIEG-HNNXBMFYSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(Cc1noc(CC)n1)C1CC1 ZINC001267327112 837205317 /nfs/dbraw/zinc/20/53/17/837205317.db2.gz BCAZCBNKBHXIEG-HNNXBMFYSA-N 1 1 345.447 0.810 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001267331069 837212337 /nfs/dbraw/zinc/21/23/37/837212337.db2.gz WXFNYSOLLAFSPX-NSHDSACASA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001267331069 837212347 /nfs/dbraw/zinc/21/23/47/837212347.db2.gz WXFNYSOLLAFSPX-NSHDSACASA-N 1 1 335.408 0.011 20 30 ECEDMO O=C(NCC[N@H+](CC#Cc1ccccc1)C1CC1)[C@@H]1CNC(=O)N1 ZINC001267331444 837212637 /nfs/dbraw/zinc/21/26/37/837212637.db2.gz HNTSKXCEBHOBIC-INIZCTEOSA-N 1 1 326.400 0.300 20 30 ECEDMO O=C(NCC[N@@H+](CC#Cc1ccccc1)C1CC1)[C@@H]1CNC(=O)N1 ZINC001267331444 837212644 /nfs/dbraw/zinc/21/26/44/837212644.db2.gz HNTSKXCEBHOBIC-INIZCTEOSA-N 1 1 326.400 0.300 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@@]1(C)CCN(C(C)=O)C1)C1CC1 ZINC001267336192 837220868 /nfs/dbraw/zinc/22/08/68/837220868.db2.gz LANGHUDWHAGMHF-SFHVURJKSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1cnns1)c1ccccc1 ZINC001267351617 837239710 /nfs/dbraw/zinc/23/97/10/837239710.db2.gz UJKVCZTUFBYANI-CYBMUJFWSA-N 1 1 343.412 0.348 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]([NH2+]CC(=O)NC)c2ccccc2)cn1 ZINC001267378291 837295802 /nfs/dbraw/zinc/29/58/02/837295802.db2.gz YZDQYRPJGUSFOT-QGZVFWFLSA-N 1 1 336.395 0.870 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001267584866 837858715 /nfs/dbraw/zinc/85/87/15/837858715.db2.gz KCPAGINWSWNWNC-CQSZACIVSA-N 1 1 346.431 0.081 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001267597558 837904348 /nfs/dbraw/zinc/90/43/48/837904348.db2.gz YCAYVGQJEONQAQ-UONOGXRCSA-N 1 1 329.466 0.425 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(C[N@H+](C)[C@H](C)C(N)=O)CC2)nn1 ZINC001267603131 837929769 /nfs/dbraw/zinc/92/97/69/837929769.db2.gz QNKWKOXVQXCBQA-GFCCVEGCSA-N 1 1 334.424 0.122 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001267604062 837933901 /nfs/dbraw/zinc/93/39/01/837933901.db2.gz IRSONQQLZPZMBI-UHFFFAOYSA-N 1 1 345.447 0.180 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)[C@H](C)CSC)CC1 ZINC001267606386 837945522 /nfs/dbraw/zinc/94/55/22/837945522.db2.gz XERKACNBJJKHIH-MRXNPFEDSA-N 1 1 341.521 0.711 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H](NC(C)=O)C2CCCC2)CC1 ZINC001267608961 837964577 /nfs/dbraw/zinc/96/45/77/837964577.db2.gz JYYHNKUIMBTUIA-SFHVURJKSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@@H](NC(C)=O)C2CCCC2)CC1 ZINC001267608961 837964578 /nfs/dbraw/zinc/96/45/78/837964578.db2.gz JYYHNKUIMBTUIA-SFHVURJKSA-N 1 1 348.491 0.391 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001267615296 837995279 /nfs/dbraw/zinc/99/52/79/837995279.db2.gz LRKJCUIUCIJKIG-UKRRQHHQSA-N 1 1 338.452 0.174 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)nn2C)C1 ZINC001267631786 838094751 /nfs/dbraw/zinc/09/47/51/838094751.db2.gz IKAKBSRSMOVSOV-CABCVRRESA-N 1 1 345.447 0.260 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001267633022 838097108 /nfs/dbraw/zinc/09/71/08/838097108.db2.gz SOLHGDCAILDPEP-KBPBESRZSA-N 1 1 333.436 0.803 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001267633022 838097114 /nfs/dbraw/zinc/09/71/14/838097114.db2.gz SOLHGDCAILDPEP-KBPBESRZSA-N 1 1 333.436 0.803 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001267633022 838097127 /nfs/dbraw/zinc/09/71/27/838097127.db2.gz SOLHGDCAILDPEP-KBPBESRZSA-N 1 1 333.436 0.803 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CCn2nc(C)nc2C)C1 ZINC001267647655 838136996 /nfs/dbraw/zinc/13/69/96/838136996.db2.gz YCKMCIYONACNAM-RHSMWYFYSA-N 1 1 347.463 0.714 20 30 ECEDMO CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001408728948 838150106 /nfs/dbraw/zinc/15/01/06/838150106.db2.gz QPPDJPPXIXHDDG-ZDUSSCGKSA-N 1 1 331.420 0.806 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001267653659 838157515 /nfs/dbraw/zinc/15/75/15/838157515.db2.gz XHHJCRKGSWKSAJ-OAHLLOKOSA-N 1 1 343.427 0.968 20 30 ECEDMO CCN(CCNC(=O)c1ccc(C#N)[nH]1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001408732778 838166469 /nfs/dbraw/zinc/16/64/69/838166469.db2.gz NRWHFIYDWLVWCE-ZDUSSCGKSA-N 1 1 331.420 0.806 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(C)c2CC)C1 ZINC001267657592 838171422 /nfs/dbraw/zinc/17/14/22/838171422.db2.gz ALFJKCCFADVRPX-AWEZNQCLSA-N 1 1 347.463 0.679 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC001267659225 838179342 /nfs/dbraw/zinc/17/93/42/838179342.db2.gz XLGKBICGBOSSAL-KGLIPLIRSA-N 1 1 345.447 0.504 20 30 ECEDMO CCN(CCNC(=O)Cn1cc[nH+]c1C)C(=O)c1ccc(C#N)[nH]1 ZINC001408746028 838230926 /nfs/dbraw/zinc/23/09/26/838230926.db2.gz PTBBAJWENVCVGY-UHFFFAOYSA-N 1 1 328.376 0.670 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001267686784 838250863 /nfs/dbraw/zinc/25/08/63/838250863.db2.gz SQWDSKXRIGXQSQ-UHFFFAOYSA-N 1 1 341.415 0.658 20 30 ECEDMO COCC#CCN1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267692947 838271732 /nfs/dbraw/zinc/27/17/32/838271732.db2.gz OTDWXJMOPDFOKF-MRXNPFEDSA-N 1 1 330.432 0.452 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1C[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001267693615 838278667 /nfs/dbraw/zinc/27/86/67/838278667.db2.gz LNKPUQYYMBVZLL-UHFFFAOYSA-N 1 1 348.447 0.234 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001267697116 838290016 /nfs/dbraw/zinc/29/00/16/838290016.db2.gz OVPVMCAVJNOLBU-KGLIPLIRSA-N 1 1 333.436 0.423 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC(CNC(=O)Cn2ccnc2)C1 ZINC001267700953 838298864 /nfs/dbraw/zinc/29/88/64/838298864.db2.gz KQVYJWKSQLGJJL-HNNXBMFYSA-N 1 1 347.463 0.744 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NC(C)C)C2)nc1 ZINC001267701869 838302237 /nfs/dbraw/zinc/30/22/37/838302237.db2.gz AMKSSINDXGVYII-MRXNPFEDSA-N 1 1 342.443 0.981 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001267708154 838315429 /nfs/dbraw/zinc/31/54/29/838315429.db2.gz KDKZBLIGEFEIQG-CQSZACIVSA-N 1 1 331.482 0.624 20 30 ECEDMO C=CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267709292 838315505 /nfs/dbraw/zinc/31/55/05/838315505.db2.gz QVDRXHNRCWMFLN-PMPSAXMXSA-N 1 1 334.464 0.448 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001267714050 838338331 /nfs/dbraw/zinc/33/83/31/838338331.db2.gz ZFSGDYMICVKJLB-ILXRZTDVSA-N 1 1 346.431 0.567 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)C2=COCCO2)CC1 ZINC001267714940 838348365 /nfs/dbraw/zinc/34/83/65/838348365.db2.gz VKDMINQMKJZGNG-AWEZNQCLSA-N 1 1 349.431 0.183 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001267746583 838453689 /nfs/dbraw/zinc/45/36/89/838453689.db2.gz LPYHKCHBBSHWJY-OAHLLOKOSA-N 1 1 341.415 0.731 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001267746583 838453692 /nfs/dbraw/zinc/45/36/92/838453692.db2.gz LPYHKCHBBSHWJY-OAHLLOKOSA-N 1 1 341.415 0.731 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001267750717 838472044 /nfs/dbraw/zinc/47/20/44/838472044.db2.gz NQFOCYTVEIGFRS-CHWSQXEVSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001267750717 838472047 /nfs/dbraw/zinc/47/20/47/838472047.db2.gz NQFOCYTVEIGFRS-CHWSQXEVSA-N 1 1 333.436 0.569 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001267761076 838488731 /nfs/dbraw/zinc/48/87/31/838488731.db2.gz ANROLJYKYIKSKC-KGLIPLIRSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001267761076 838488734 /nfs/dbraw/zinc/48/87/34/838488734.db2.gz ANROLJYKYIKSKC-KGLIPLIRSA-N 1 1 329.404 0.069 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](N(C)C(=O)C#CC2CC2)C1 ZINC001267763486 838492452 /nfs/dbraw/zinc/49/24/52/838492452.db2.gz XRZSIHJNPQTSST-WFASDCNBSA-N 1 1 346.431 0.309 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](N(C)C(=O)C#CC2CC2)C1 ZINC001267763486 838492454 /nfs/dbraw/zinc/49/24/54/838492454.db2.gz XRZSIHJNPQTSST-WFASDCNBSA-N 1 1 346.431 0.309 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CC[N@@H+](CCn2nc(C)nc2C)C1 ZINC001267765454 838497425 /nfs/dbraw/zinc/49/74/25/838497425.db2.gz ZIPWQVNFQUQXRT-WBVHZDCISA-N 1 1 335.452 0.755 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001267766505 838500745 /nfs/dbraw/zinc/50/07/45/838500745.db2.gz JRJHLOMEVSUBMB-HNNXBMFYSA-N 1 1 341.415 0.764 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001267766505 838500747 /nfs/dbraw/zinc/50/07/47/838500747.db2.gz JRJHLOMEVSUBMB-HNNXBMFYSA-N 1 1 341.415 0.764 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001267771843 838523086 /nfs/dbraw/zinc/52/30/86/838523086.db2.gz OCNAVIUNMXGJQG-AWEZNQCLSA-N 1 1 336.436 0.817 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001267773323 838532505 /nfs/dbraw/zinc/53/25/05/838532505.db2.gz LVQFFDBYRBKDSE-DLBZAZTESA-N 1 1 347.463 0.887 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001267777212 838543078 /nfs/dbraw/zinc/54/30/78/838543078.db2.gz LATAZFNOTVHNNE-HNNXBMFYSA-N 1 1 345.447 0.767 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001267777212 838543083 /nfs/dbraw/zinc/54/30/83/838543083.db2.gz LATAZFNOTVHNNE-HNNXBMFYSA-N 1 1 345.447 0.767 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)nn2C)C1 ZINC001267781305 838554446 /nfs/dbraw/zinc/55/44/46/838554446.db2.gz FUUGCNCKQVNPEC-LSDHHAIUSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)nn2C)C1 ZINC001267781305 838554451 /nfs/dbraw/zinc/55/44/51/838554451.db2.gz FUUGCNCKQVNPEC-LSDHHAIUSA-N 1 1 345.447 0.403 20 30 ECEDMO CCN(C(=O)Cn1nnnc1C(C)C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267788949 838568823 /nfs/dbraw/zinc/56/88/23/838568823.db2.gz BIOMMRUDZISBGA-OAHLLOKOSA-N 1 1 348.451 0.369 20 30 ECEDMO CCN(C(=O)Cn1nnnc1C(C)C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267788949 838568829 /nfs/dbraw/zinc/56/88/29/838568829.db2.gz BIOMMRUDZISBGA-OAHLLOKOSA-N 1 1 348.451 0.369 20 30 ECEDMO CC[C@H](CNC(=O)C#CC(C)C)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001267803820 838581067 /nfs/dbraw/zinc/58/10/67/838581067.db2.gz WHJQBZVTZFDNDD-HZPDHXFCSA-N 1 1 347.463 0.958 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@]1(NC(=O)CN2CCCC2)CCCC[C@H]1C ZINC001267872691 838668517 /nfs/dbraw/zinc/66/85/17/838668517.db2.gz PSYGAGXCIWXVCQ-VQIMIIECSA-N 1 1 348.491 0.486 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CC)CC)C1 ZINC001267930943 838811023 /nfs/dbraw/zinc/81/10/23/838811023.db2.gz GBBHRCHTNSGHAR-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CC)CC)C1 ZINC001267930943 838811038 /nfs/dbraw/zinc/81/10/38/838811038.db2.gz GBBHRCHTNSGHAR-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)C1 ZINC001267942084 838827695 /nfs/dbraw/zinc/82/76/95/838827695.db2.gz ADRMCEMYJFIWPB-MRXNPFEDSA-N 1 1 347.415 0.534 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)COCc2cc[nH]c(=O)c2)C1 ZINC001267942084 838827706 /nfs/dbraw/zinc/82/77/06/838827706.db2.gz ADRMCEMYJFIWPB-MRXNPFEDSA-N 1 1 347.415 0.534 20 30 ECEDMO COCC#CC[NH+]1CCC(CCNC(=O)CCc2nc[nH]n2)CC1 ZINC001267944191 838832697 /nfs/dbraw/zinc/83/26/97/838832697.db2.gz OXBIXSKEUOGBGY-UHFFFAOYSA-N 1 1 333.436 0.605 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CCC(CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001267948127 838839883 /nfs/dbraw/zinc/83/98/83/838839883.db2.gz SJIZPIKZXCBNCE-CYBMUJFWSA-N 1 1 348.451 0.256 20 30 ECEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CNS(=O)(=O)CC)CC2 ZINC001267973262 838904333 /nfs/dbraw/zinc/90/43/33/838904333.db2.gz JZMCXGJEYZCCBH-UHFFFAOYSA-N 1 1 343.493 0.816 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](OC)C(C)C)CC2 ZINC001267974289 838908419 /nfs/dbraw/zinc/90/84/19/838908419.db2.gz SMQJDXMWEZXWPI-KRWDZBQOSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC001268042840 839188232 /nfs/dbraw/zinc/18/82/32/839188232.db2.gz WWLPKMUBRMVTPD-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC001268042861 839189515 /nfs/dbraw/zinc/18/95/15/839189515.db2.gz XHXYFGTUHIGJDO-UHFFFAOYSA-N 1 1 326.400 0.369 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCOC[C@H]1C)CC2 ZINC001268045512 839207866 /nfs/dbraw/zinc/20/78/66/839207866.db2.gz BWLXDTOYZKAIBD-HZPDHXFCSA-N 1 1 349.475 0.886 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)[C@@H]1CCC(=O)N1)CC2 ZINC001268045858 839210337 /nfs/dbraw/zinc/21/03/37/839210337.db2.gz LAIRMTFTWVTDJN-HOTGVXAUSA-N 1 1 347.459 0.475 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000980997813 839299911 /nfs/dbraw/zinc/29/99/11/839299911.db2.gz FPKRQZDLYADJFR-VXGBXAGGSA-N 1 1 328.380 0.241 20 30 ECEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000177912372 529507492 /nfs/dbraw/zinc/50/74/92/529507492.db2.gz YGSBOVCZRSFNPK-HNNXBMFYSA-N 1 1 330.388 0.412 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)c1 ZINC001041661896 781944446 /nfs/dbraw/zinc/94/44/46/781944446.db2.gz YUZLYAXXYAPHTC-LJQANCHMSA-N 1 1 340.427 0.689 20 30 ECEDMO CCOCC[NH+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000111622220 220172198 /nfs/dbraw/zinc/17/21/98/220172198.db2.gz JMLRDNTWZDXALT-UHFFFAOYSA-N 1 1 344.415 0.469 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000457431374 211711257 /nfs/dbraw/zinc/71/12/57/211711257.db2.gz AGFWEFCLEXELME-UHFFFAOYSA-N 1 1 343.431 0.982 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ncnc3sccc32)CC1 ZINC000265038343 247152620 /nfs/dbraw/zinc/15/26/20/247152620.db2.gz MRVJJIHFQFFCKY-UHFFFAOYSA-N 1 1 329.429 0.953 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ncnc3sccc32)CC1 ZINC000265038343 247152622 /nfs/dbraw/zinc/15/26/22/247152622.db2.gz MRVJJIHFQFFCKY-UHFFFAOYSA-N 1 1 329.429 0.953 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cscc2C#N)CC1 ZINC000343077350 269691850 /nfs/dbraw/zinc/69/18/50/269691850.db2.gz UJTTWAKNNBWNOS-AWEZNQCLSA-N 1 1 332.429 0.998 20 30 ECEDMO C#CC[NH+](CC#C)C[C@@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000267693496 251261390 /nfs/dbraw/zinc/26/13/90/251261390.db2.gz SMUTYZWQRVWLHG-OAHLLOKOSA-N 1 1 331.368 0.790 20 30 ECEDMO COCC(COC)[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000411867263 208154393 /nfs/dbraw/zinc/15/43/93/208154393.db2.gz WYTOQKNGCZOPLD-UHFFFAOYSA-N 1 1 346.431 0.776 20 30 ECEDMO COCC(COC)[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000412438125 208236294 /nfs/dbraw/zinc/23/62/94/208236294.db2.gz SFKYMXVTKZIIKM-UHFFFAOYSA-N 1 1 331.416 0.906 20 30 ECEDMO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428778458 210281881 /nfs/dbraw/zinc/28/18/81/210281881.db2.gz JEDZTOBOQFPZJG-CQSZACIVSA-N 1 1 346.387 0.428 20 30 ECEDMO Cc1nnsc1CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000330261401 254632482 /nfs/dbraw/zinc/63/24/82/254632482.db2.gz PBHQZOZYRTVHIU-CMPLNLGQSA-N 1 1 325.438 0.913 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000330445708 285328495 /nfs/dbraw/zinc/32/84/95/285328495.db2.gz HGEGEQVPFUMHGF-GXTWGEPZSA-N 1 1 327.425 0.800 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C(F)(F)F)n2)C1 ZINC001077947496 781990983 /nfs/dbraw/zinc/99/09/83/781990983.db2.gz IKULBPMZMIWGHK-PSASIEDQSA-N 1 1 333.335 0.960 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C(F)(F)F)n2)C1 ZINC001077947496 781990990 /nfs/dbraw/zinc/99/09/90/781990990.db2.gz IKULBPMZMIWGHK-PSASIEDQSA-N 1 1 333.335 0.960 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)[N@H+](C)C1 ZINC000329131231 286079725 /nfs/dbraw/zinc/07/97/25/286079725.db2.gz OSGSZCWGMQIHBL-YODMDTAWSA-N 1 1 335.408 0.368 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)[N@@H+](C)C1 ZINC000329131231 286079726 /nfs/dbraw/zinc/07/97/26/286079726.db2.gz OSGSZCWGMQIHBL-YODMDTAWSA-N 1 1 335.408 0.368 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NCC[N@H+]2CCCC[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000329860148 286102746 /nfs/dbraw/zinc/10/27/46/286102746.db2.gz PGBGOBHZYATYIK-MELADBBJSA-N 1 1 347.481 0.866 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000247985009 165168201 /nfs/dbraw/zinc/16/82/01/165168201.db2.gz ITCYBWNXZPLIKU-ZWKOTPCHSA-N 1 1 342.443 0.830 20 30 ECEDMO C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O ZINC000275497497 263607916 /nfs/dbraw/zinc/60/79/16/263607916.db2.gz GOSFCOJPHFKWMB-OAHLLOKOSA-N 1 1 344.459 0.951 20 30 ECEDMO CCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000282615976 264053958 /nfs/dbraw/zinc/05/39/58/264053958.db2.gz ZJFXNGVFVXVLFI-HOCLYGCPSA-N 1 1 345.399 0.767 20 30 ECEDMO Cn1[nH]c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc1=O ZINC000329284346 270005841 /nfs/dbraw/zinc/00/58/41/270005841.db2.gz NWFWVHYUDURHEC-UHFFFAOYSA-N 1 1 326.404 0.688 20 30 ECEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](CS(N)(=O)=O)C3)n2c1 ZINC000353528632 270006868 /nfs/dbraw/zinc/00/68/68/270006868.db2.gz OEKKVSURMJJSGO-CYBMUJFWSA-N 1 1 333.417 0.706 20 30 ECEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](CS(N)(=O)=O)C3)n2c1 ZINC000353528632 270006869 /nfs/dbraw/zinc/00/68/69/270006869.db2.gz OEKKVSURMJJSGO-CYBMUJFWSA-N 1 1 333.417 0.706 20 30 ECEDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000377897533 266100690 /nfs/dbraw/zinc/10/06/90/266100690.db2.gz BBJKGZUTOWLHMD-UHFFFAOYSA-N 1 1 341.375 0.145 20 30 ECEDMO CC[N@H+]1CC[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000334133727 266154959 /nfs/dbraw/zinc/15/49/59/266154959.db2.gz WPYKKFFCCBAVLX-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO CC[N@H+]1CC[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 ZINC000334135532 266155746 /nfs/dbraw/zinc/15/57/46/266155746.db2.gz YBRCHRNYQKWFCD-KGLIPLIRSA-N 1 1 343.435 0.663 20 30 ECEDMO CC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 ZINC000334135533 266155888 /nfs/dbraw/zinc/15/58/88/266155888.db2.gz YBRCHRNYQKWFCD-UONOGXRCSA-N 1 1 343.435 0.663 20 30 ECEDMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292274910 266340708 /nfs/dbraw/zinc/34/07/08/266340708.db2.gz SLVVTTYRJRCJJR-AWEZNQCLSA-N 1 1 338.433 0.736 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(C#N)cn2)CCCO1 ZINC000340373964 267051263 /nfs/dbraw/zinc/05/12/63/267051263.db2.gz AOOXERDJBHKMBT-CYBMUJFWSA-N 1 1 345.403 0.509 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2CCC[N@@H+](CCO)CC2)c(F)c1 ZINC000360258214 268078208 /nfs/dbraw/zinc/07/82/08/268078208.db2.gz OLRSCTHLIJXWMB-UHFFFAOYSA-N 1 1 341.408 0.527 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2CCC[N@H+](CCO)CC2)c(F)c1 ZINC000360258214 268078211 /nfs/dbraw/zinc/07/82/11/268078211.db2.gz OLRSCTHLIJXWMB-UHFFFAOYSA-N 1 1 341.408 0.527 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000357897914 268137668 /nfs/dbraw/zinc/13/76/68/268137668.db2.gz YWEPPLHXBXRPBU-CQSZACIVSA-N 1 1 336.417 0.640 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@](O)(C(N)=O)C2)cc1Cl ZINC000298581120 268137875 /nfs/dbraw/zinc/13/78/75/268137875.db2.gz RAQRKDZSCFHEFA-HNNXBMFYSA-N 1 1 336.779 0.462 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1F ZINC000340900355 268246801 /nfs/dbraw/zinc/24/68/01/268246801.db2.gz NEWYVZNQTITNFF-LLVKDONJSA-N 1 1 326.397 0.702 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1F ZINC000340900355 268246800 /nfs/dbraw/zinc/24/68/00/268246800.db2.gz NEWYVZNQTITNFF-LLVKDONJSA-N 1 1 326.397 0.702 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000369111691 268255362 /nfs/dbraw/zinc/25/53/62/268255362.db2.gz QXAPHDNFGJQFCF-HZPDHXFCSA-N 1 1 335.429 0.841 20 30 ECEDMO N#Cc1cccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000355118936 268261918 /nfs/dbraw/zinc/26/19/18/268261918.db2.gz CFNYRIWMCZRMJJ-UHFFFAOYSA-N 1 1 327.348 0.880 20 30 ECEDMO N#Cc1ccccc1OCC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340959051 268279928 /nfs/dbraw/zinc/27/99/28/268279928.db2.gz CVPZQCMIKRADSA-CQSZACIVSA-N 1 1 330.388 0.393 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000333175797 268307432 /nfs/dbraw/zinc/30/74/32/268307432.db2.gz QZFYACPJEGDWHM-OAHLLOKOSA-N 1 1 347.400 0.622 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](CO)[C@H]2C)CC1 ZINC000412080316 276011284 /nfs/dbraw/zinc/01/12/84/276011284.db2.gz LLYLNLYRHDJFPY-ZACQAIPSSA-N 1 1 336.480 0.772 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000270830796 276137468 /nfs/dbraw/zinc/13/74/68/276137468.db2.gz CONSRMAAOIQFOC-GFCCVEGCSA-N 1 1 335.408 0.011 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000329468812 276384516 /nfs/dbraw/zinc/38/45/16/276384516.db2.gz XOQSIIKIPBMERB-LBPRGKRZSA-N 1 1 337.424 0.064 20 30 ECEDMO C[N@@H+]1CCO[C@H](C[NH+]=C([O-])N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000329794586 277127671 /nfs/dbraw/zinc/12/76/71/277127671.db2.gz WAOKVPJNDDGUJA-SECBINFHSA-N 1 1 348.329 0.357 20 30 ECEDMO C[N@H+]1CCO[C@H](C[NH+]=C([O-])N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000329794586 277127672 /nfs/dbraw/zinc/12/76/72/277127672.db2.gz WAOKVPJNDDGUJA-SECBINFHSA-N 1 1 348.329 0.357 20 30 ECEDMO C=CC[N@H+](CCC(=O)NC(N)=O)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343548797 437603516 /nfs/dbraw/zinc/60/35/16/437603516.db2.gz AKZKAUDVDKKTNS-LBPRGKRZSA-N 1 1 343.391 0.796 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H]1O ZINC000343583664 437606790 /nfs/dbraw/zinc/60/67/90/437606790.db2.gz UQLUZVQUBKVQSZ-KFWWJZLASA-N 1 1 348.472 0.770 20 30 ECEDMO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CCO1 ZINC000329764601 289196860 /nfs/dbraw/zinc/19/68/60/289196860.db2.gz VXAGWQKCQKENAZ-OLZOCXBDSA-N 1 1 333.454 0.130 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000073020763 436067011 /nfs/dbraw/zinc/06/70/11/436067011.db2.gz KJNZCPZLEQVTQU-KRWDZBQOSA-N 1 1 348.443 0.945 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000073020763 436067016 /nfs/dbraw/zinc/06/70/16/436067016.db2.gz KJNZCPZLEQVTQU-KRWDZBQOSA-N 1 1 348.443 0.945 20 30 ECEDMO N#Cc1ccc(CN2CCN(CCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000075768163 436175971 /nfs/dbraw/zinc/17/59/71/436175971.db2.gz KBSUUCYFVOZFHQ-UHFFFAOYSA-N 1 1 342.443 0.925 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083245742 436370392 /nfs/dbraw/zinc/37/03/92/436370392.db2.gz KTOVNBKZXXREGQ-VYDXJSESSA-N 1 1 340.468 0.054 20 30 ECEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083246173 436372326 /nfs/dbraw/zinc/37/23/26/436372326.db2.gz UFDHRIFGNRVWTR-YOEHRIQHSA-N 1 1 346.431 0.510 20 30 ECEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083246173 436372329 /nfs/dbraw/zinc/37/23/29/436372329.db2.gz UFDHRIFGNRVWTR-YOEHRIQHSA-N 1 1 346.431 0.510 20 30 ECEDMO N#C[C@@H]1COCCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000089130499 436406185 /nfs/dbraw/zinc/40/61/85/436406185.db2.gz FXIJQZWOFOCZKH-QGZVFWFLSA-N 1 1 328.416 0.555 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CCCC[N@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000091219596 436445959 /nfs/dbraw/zinc/44/59/59/436445959.db2.gz KZPGBWIJCFCZED-LSDHHAIUSA-N 1 1 341.477 0.693 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000091219596 436445961 /nfs/dbraw/zinc/44/59/61/436445961.db2.gz KZPGBWIJCFCZED-LSDHHAIUSA-N 1 1 341.477 0.693 20 30 ECEDMO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091575595 436454758 /nfs/dbraw/zinc/45/47/58/436454758.db2.gz TYXAZIFTQKXIAZ-HOTGVXAUSA-N 1 1 349.479 0.137 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000049048431 436463253 /nfs/dbraw/zinc/46/32/53/436463253.db2.gz QPTHYMOQOTVSPC-MRXNPFEDSA-N 1 1 344.415 0.970 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)N(C)CCC#N ZINC000092800819 436476701 /nfs/dbraw/zinc/47/67/01/436476701.db2.gz GXEUNNNRUFUMFV-AWEZNQCLSA-N 1 1 341.419 0.621 20 30 ECEDMO COc1ccc(CCNC(=[NH2+])NC[C@@H](C)N2CCN(C)CC2)cc1 ZINC000103338608 436554146 /nfs/dbraw/zinc/55/41/46/436554146.db2.gz HCSKFSYOILTROP-OAHLLOKOSA-N 1 1 333.480 0.778 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000104069636 436556880 /nfs/dbraw/zinc/55/68/80/436556880.db2.gz XCKYSPLRGJYKMU-QAPCUYQASA-N 1 1 349.479 0.455 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ncc(C#N)cc2C)[C@H](C)C1 ZINC000551934898 302373868 /nfs/dbraw/zinc/37/38/68/302373868.db2.gz QQJVVGVGLGVRIG-CYBMUJFWSA-N 1 1 330.388 0.971 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ncc(C#N)cc2C)[C@H](C)C1 ZINC000551934898 302373870 /nfs/dbraw/zinc/37/38/70/302373870.db2.gz QQJVVGVGLGVRIG-CYBMUJFWSA-N 1 1 330.388 0.971 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000120898915 436701794 /nfs/dbraw/zinc/70/17/94/436701794.db2.gz HKZVLIYJNKFOBO-AWEZNQCLSA-N 1 1 329.400 0.691 20 30 ECEDMO N#CC1(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000269489018 436666547 /nfs/dbraw/zinc/66/65/47/436666547.db2.gz CAUNOEFEAKRXDQ-QGZVFWFLSA-N 1 1 343.427 0.842 20 30 ECEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000065931019 436674410 /nfs/dbraw/zinc/67/44/10/436674410.db2.gz QHGBDNJDEHMAIC-INIZCTEOSA-N 1 1 349.456 0.883 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[NH+](C(C)C)CC2)nn1CCC#N ZINC000271071410 436678218 /nfs/dbraw/zinc/67/82/18/436678218.db2.gz OHBRCNNHPHVVFV-UHFFFAOYSA-N 1 1 332.408 0.596 20 30 ECEDMO C[C@@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000153148488 436748231 /nfs/dbraw/zinc/74/82/31/436748231.db2.gz IEIDZCLFMJCDEG-CYBMUJFWSA-N 1 1 330.388 0.412 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC000246167421 436774056 /nfs/dbraw/zinc/77/40/56/436774056.db2.gz UZPPABOQSUCCJR-HOTGVXAUSA-N 1 1 336.480 0.914 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000126683539 436790523 /nfs/dbraw/zinc/79/05/23/436790523.db2.gz NAKXDTSLPXSSEN-MRXNPFEDSA-N 1 1 345.447 0.753 20 30 ECEDMO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000274653192 436855022 /nfs/dbraw/zinc/85/50/22/436855022.db2.gz NSTZTRLHRNUJHW-WBMJQRKESA-N 1 1 333.392 0.173 20 30 ECEDMO CCOC(=O)[C@@](C)(O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000274653192 436855026 /nfs/dbraw/zinc/85/50/26/436855026.db2.gz NSTZTRLHRNUJHW-WBMJQRKESA-N 1 1 333.392 0.173 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCn1cnc2ccccc2c1=O ZINC000293943337 436921397 /nfs/dbraw/zinc/92/13/97/436921397.db2.gz JFXQPCCYXKMMFR-UHFFFAOYSA-N 1 1 326.400 0.858 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000293522383 436884750 /nfs/dbraw/zinc/88/47/50/436884750.db2.gz YZQVIBBVANJUTR-UHFFFAOYSA-N 1 1 330.388 0.056 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N(C)Cc1cc(Cl)cn1C ZINC000261962389 436898832 /nfs/dbraw/zinc/89/88/32/436898832.db2.gz KPPUERDQUSYVMT-OAHLLOKOSA-N 1 1 338.887 0.686 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000293752645 436906216 /nfs/dbraw/zinc/90/62/16/436906216.db2.gz IZDJNHQEGUECKC-UHFFFAOYSA-N 1 1 342.392 0.846 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000293799566 436910293 /nfs/dbraw/zinc/91/02/93/436910293.db2.gz NFWNPLQGORTPJS-UHFFFAOYSA-N 1 1 344.458 0.324 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000293799566 436910297 /nfs/dbraw/zinc/91/02/97/436910297.db2.gz NFWNPLQGORTPJS-UHFFFAOYSA-N 1 1 344.458 0.324 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275401723 436964209 /nfs/dbraw/zinc/96/42/09/436964209.db2.gz RRCPWQPLRNKQKO-JKSUJKDBSA-N 1 1 342.399 0.125 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(OC)c(S(C)(=O)=O)c1 ZINC000295589877 436973803 /nfs/dbraw/zinc/97/38/03/436973803.db2.gz XEUIEBXZDUHXOU-UHFFFAOYSA-N 1 1 338.429 0.784 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc(OC)c(S(C)(=O)=O)c1 ZINC000295589877 436973805 /nfs/dbraw/zinc/97/38/05/436973805.db2.gz XEUIEBXZDUHXOU-UHFFFAOYSA-N 1 1 338.429 0.784 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000295885603 436980289 /nfs/dbraw/zinc/98/02/89/436980289.db2.gz PTHRMMPCUFZFGD-CVEARBPZSA-N 1 1 330.432 0.747 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000294034346 436928435 /nfs/dbraw/zinc/92/84/35/436928435.db2.gz RVTTVOPPGLVSEK-UHFFFAOYSA-N 1 1 327.381 0.158 20 30 ECEDMO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275813665 437016663 /nfs/dbraw/zinc/01/66/63/437016663.db2.gz OTAIUYUIBIKESG-GFCCVEGCSA-N 1 1 345.403 0.934 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC000283836997 437032599 /nfs/dbraw/zinc/03/25/99/437032599.db2.gz CJCUESPRQRMZIB-AWEZNQCLSA-N 1 1 344.415 0.634 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCNC(=O)c1ccccc1F ZINC000296324870 436988839 /nfs/dbraw/zinc/98/88/39/436988839.db2.gz BHKXDNKDFWVZHV-UHFFFAOYSA-N 1 1 334.395 0.810 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC(=O)N1CCc2ccccc21 ZINC000296350346 436990727 /nfs/dbraw/zinc/99/07/27/436990727.db2.gz NASGIXBTQDPMCX-UHFFFAOYSA-N 1 1 328.416 0.830 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000296441378 436991905 /nfs/dbraw/zinc/99/19/05/436991905.db2.gz WBYXYSJWJNYCMS-QAPCUYQASA-N 1 1 348.399 0.809 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC000297486178 437008042 /nfs/dbraw/zinc/00/80/42/437008042.db2.gz MYRMWYMUJNZTLJ-HNNXBMFYSA-N 1 1 337.395 0.820 20 30 ECEDMO C#CCOc1ccc(CNC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000297348586 437008088 /nfs/dbraw/zinc/00/80/88/437008088.db2.gz CKJZQLQJGJQRLJ-HNNXBMFYSA-N 1 1 331.416 0.907 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000284094708 437038719 /nfs/dbraw/zinc/03/87/19/437038719.db2.gz SWCWOSXDOAXRIM-XJKSGUPXSA-N 1 1 344.415 0.572 20 30 ECEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)CS(=O)(=O)CCOC)C(C)C ZINC000298485638 437040074 /nfs/dbraw/zinc/04/00/74/437040074.db2.gz FXUOHQQRCIPMCQ-OAHLLOKOSA-N 1 1 346.493 0.862 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1cccc(CC#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000298792643 437053635 /nfs/dbraw/zinc/05/36/35/437053635.db2.gz JICVTIVPYCGQKD-INIZCTEOSA-N 1 1 349.456 0.944 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000264796799 437085848 /nfs/dbraw/zinc/08/58/48/437085848.db2.gz SNHLCKYSAJUGAJ-PVEMMZBWSA-N 1 1 349.435 0.686 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000363078016 303152559 /nfs/dbraw/zinc/15/25/59/303152559.db2.gz FVLAAJAQTFHLEA-ILXRZTDVSA-N 1 1 331.420 0.761 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000363078016 303152562 /nfs/dbraw/zinc/15/25/62/303152562.db2.gz FVLAAJAQTFHLEA-ILXRZTDVSA-N 1 1 331.420 0.761 20 30 ECEDMO C[N@H+]1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1ccccc1 ZINC000286615368 437109858 /nfs/dbraw/zinc/10/98/58/437109858.db2.gz GCQAHRFLSLQMRG-ZBFHGGJFSA-N 1 1 339.403 0.894 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)C3COC3)CC2)cc1 ZINC000276917620 437175142 /nfs/dbraw/zinc/17/51/42/437175142.db2.gz OPWXJANNJDMVSC-UHFFFAOYSA-N 1 1 335.429 0.795 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3COC3)CC2)cc1 ZINC000276917620 437175147 /nfs/dbraw/zinc/17/51/47/437175147.db2.gz OPWXJANNJDMVSC-UHFFFAOYSA-N 1 1 335.429 0.795 20 30 ECEDMO Cc1[nH]c(C#N)cc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000332088710 437208620 /nfs/dbraw/zinc/20/86/20/437208620.db2.gz KLAPFWIHRPOVDM-HNNXBMFYSA-N 1 1 329.404 0.573 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)CC1 ZINC000332286840 437209146 /nfs/dbraw/zinc/20/91/46/437209146.db2.gz MILDIGOSGGZJHP-HZPDHXFCSA-N 1 1 347.463 0.874 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)CC1 ZINC000332286806 437209287 /nfs/dbraw/zinc/20/92/87/437209287.db2.gz MILDIGOSGGZJHP-CVEARBPZSA-N 1 1 347.463 0.874 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000265982929 437217797 /nfs/dbraw/zinc/21/77/97/437217797.db2.gz CBJBNJLUEUMAMA-GOSISDBHSA-N 1 1 342.443 0.829 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000265982929 437217804 /nfs/dbraw/zinc/21/78/04/437217804.db2.gz CBJBNJLUEUMAMA-GOSISDBHSA-N 1 1 342.443 0.829 20 30 ECEDMO C[C@H]1C[N@H+](C2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)CCO1 ZINC000332754572 437249703 /nfs/dbraw/zinc/24/97/03/437249703.db2.gz KPIBMLWTHPOSNL-KBXCAEBGSA-N 1 1 334.464 0.980 20 30 ECEDMO CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000328674884 437250365 /nfs/dbraw/zinc/25/03/65/437250365.db2.gz KFAUHAWUNSTMSN-OLZOCXBDSA-N 1 1 344.481 0.398 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)N2CCN(C3CC3)C(=O)C2)CC1(C)C ZINC000328686414 437252143 /nfs/dbraw/zinc/25/21/43/437252143.db2.gz YEYUVMVZVZOREY-UHFFFAOYSA-N 1 1 337.468 0.233 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)c2cn([C@H]3CCOC3)nn2)CC1(C)C ZINC000328736371 437257372 /nfs/dbraw/zinc/25/73/72/437257372.db2.gz ZLFBVVHNKOWJME-ZDUSSCGKSA-N 1 1 336.440 0.570 20 30 ECEDMO C[NH+](C)[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1 ZINC000336901931 437308494 /nfs/dbraw/zinc/30/84/94/437308494.db2.gz CBYPMBRGMYRWPK-GJZGRUSLSA-N 1 1 338.433 0.348 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000336909080 437309774 /nfs/dbraw/zinc/30/97/74/437309774.db2.gz HEIZFOCEQDKDTA-OKILXGFUSA-N 1 1 332.470 0.556 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000336909080 437309780 /nfs/dbraw/zinc/30/97/80/437309780.db2.gz HEIZFOCEQDKDTA-OKILXGFUSA-N 1 1 332.470 0.556 20 30 ECEDMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336918711 437310561 /nfs/dbraw/zinc/31/05/61/437310561.db2.gz OSGWSCWWYFZRCR-LSDHHAIUSA-N 1 1 344.481 0.700 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CC1(C#N)CC1 ZINC000180412591 437288335 /nfs/dbraw/zinc/28/83/35/437288335.db2.gz UANGWLMXYAIJOM-OAHLLOKOSA-N 1 1 342.509 0.968 20 30 ECEDMO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000278271609 437299455 /nfs/dbraw/zinc/29/94/55/437299455.db2.gz HRAHTYLRVJSARA-SOUVJXGZSA-N 1 1 349.435 0.271 20 30 ECEDMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000278271609 437299461 /nfs/dbraw/zinc/29/94/61/437299461.db2.gz HRAHTYLRVJSARA-SOUVJXGZSA-N 1 1 349.435 0.271 20 30 ECEDMO C=CCCCCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000288647769 437342051 /nfs/dbraw/zinc/34/20/51/437342051.db2.gz LHOKGCZIAMSZHN-UHFFFAOYSA-N 1 1 338.452 0.128 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000329267944 437344741 /nfs/dbraw/zinc/34/47/41/437344741.db2.gz HXYDGCORQVMSLB-YPMHNXCESA-N 1 1 331.438 0.230 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000329267944 437344747 /nfs/dbraw/zinc/34/47/47/437344747.db2.gz HXYDGCORQVMSLB-YPMHNXCESA-N 1 1 331.438 0.230 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000329450292 437372004 /nfs/dbraw/zinc/37/20/04/437372004.db2.gz LLWJGJGQFJUMQU-LBPRGKRZSA-N 1 1 332.408 0.961 20 30 ECEDMO CN(C)C1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCOCC1 ZINC000267447749 437327534 /nfs/dbraw/zinc/32/75/34/437327534.db2.gz QNJUJNUBKWGKLK-UHFFFAOYSA-N 1 1 347.467 0.024 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC1(CO)CC1 ZINC000329161181 437328721 /nfs/dbraw/zinc/32/87/21/437328721.db2.gz FEYQBBQUYOJMBB-CYBMUJFWSA-N 1 1 325.409 0.181 20 30 ECEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000329697062 437402518 /nfs/dbraw/zinc/40/25/18/437402518.db2.gz DYAFMIHSHBEQDI-KBPBESRZSA-N 1 1 331.482 0.999 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N(C)CCC[N@H+](C)CCN(C)C ZINC000289348281 437403773 /nfs/dbraw/zinc/40/37/73/437403773.db2.gz FVPYYXBIWGHZMR-AWEZNQCLSA-N 1 1 327.473 0.202 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N(C)CCC[N@@H+](C)CCN(C)C ZINC000289348281 437403776 /nfs/dbraw/zinc/40/37/76/437403776.db2.gz FVPYYXBIWGHZMR-AWEZNQCLSA-N 1 1 327.473 0.202 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000338343081 437404793 /nfs/dbraw/zinc/40/47/93/437404793.db2.gz HWKGGSTWQWIHIJ-VXGBXAGGSA-N 1 1 332.408 0.639 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000338343081 437404795 /nfs/dbraw/zinc/40/47/95/437404795.db2.gz HWKGGSTWQWIHIJ-VXGBXAGGSA-N 1 1 332.408 0.639 20 30 ECEDMO Cc1[nH+]ccn1C[C@H](C)CNC([O-])=[NH+][C@@H]1CCCS(=O)(=O)C1 ZINC000329777140 437412901 /nfs/dbraw/zinc/41/29/01/437412901.db2.gz KIHOTPDYPYBXNX-DGCLKSJQSA-N 1 1 328.438 0.908 20 30 ECEDMO Cc1nsc(N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)c1C#N ZINC000329799936 437414167 /nfs/dbraw/zinc/41/41/67/437414167.db2.gz YBOVYVIAZBYONN-CYBMUJFWSA-N 1 1 332.433 0.703 20 30 ECEDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000268517404 437430851 /nfs/dbraw/zinc/43/08/51/437430851.db2.gz DYYDPDUKKLRVOV-CQSZACIVSA-N 1 1 343.383 0.223 20 30 ECEDMO CN(C)c1ncc(CN(C)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000329536008 437379825 /nfs/dbraw/zinc/37/98/25/437379825.db2.gz ZWFGLHKVQMJPOP-CQSZACIVSA-N 1 1 335.456 0.134 20 30 ECEDMO CCC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000329545525 437381465 /nfs/dbraw/zinc/38/14/65/437381465.db2.gz GRMAZCJCIPQSIL-QLFBSQMISA-N 1 1 338.452 0.706 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000337989506 437386792 /nfs/dbraw/zinc/38/67/92/437386792.db2.gz DZNSWSFTWSLOGM-KBPBESRZSA-N 1 1 332.470 0.292 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000329613930 437390576 /nfs/dbraw/zinc/39/05/76/437390576.db2.gz RYMUURXFNPBADV-OAHLLOKOSA-N 1 1 329.408 0.839 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)C1 ZINC000329621692 437393511 /nfs/dbraw/zinc/39/35/11/437393511.db2.gz GZMDMOFUEOGGAO-MELADBBJSA-N 1 1 331.482 0.901 20 30 ECEDMO CN(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330210932 437469743 /nfs/dbraw/zinc/46/97/43/437469743.db2.gz IUEUIVPTHJDJQU-VXGBXAGGSA-N 1 1 341.437 0.078 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000339094615 437441422 /nfs/dbraw/zinc/44/14/22/437441422.db2.gz AJNVEVSIWAZFFP-KBPBESRZSA-N 1 1 344.481 0.256 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000339094615 437441426 /nfs/dbraw/zinc/44/14/26/437441426.db2.gz AJNVEVSIWAZFFP-KBPBESRZSA-N 1 1 344.481 0.256 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](CCO)C[C@H](C)O)c(OC)c1 ZINC000289926173 437449220 /nfs/dbraw/zinc/44/92/20/437449220.db2.gz UQOQXLMHEKZXQI-GOEBONIOSA-N 1 1 339.432 0.839 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCOCC2CC2)CC1 ZINC000330130827 437458145 /nfs/dbraw/zinc/45/81/45/437458145.db2.gz KQFPXGSYPACQGR-OAHLLOKOSA-N 1 1 338.452 0.565 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000330377343 437495447 /nfs/dbraw/zinc/49/54/47/437495447.db2.gz FEFJEFAOZQZQNH-KGLIPLIRSA-N 1 1 346.497 0.490 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC[N@@H+]1C[C@@H](C)O ZINC000330375692 437496466 /nfs/dbraw/zinc/49/64/66/437496466.db2.gz CZFGOEZQAVJCMA-BFHYXJOUSA-N 1 1 332.470 0.100 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC[N@H+]1C[C@@H](C)O ZINC000330375692 437496469 /nfs/dbraw/zinc/49/64/69/437496469.db2.gz CZFGOEZQAVJCMA-BFHYXJOUSA-N 1 1 332.470 0.100 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330384545 437498716 /nfs/dbraw/zinc/49/87/16/437498716.db2.gz KQRAHQJHRBUXDK-KGLIPLIRSA-N 1 1 332.470 0.508 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339723329 437501703 /nfs/dbraw/zinc/50/17/03/437501703.db2.gz FARSMJXTGJYEJY-AWEZNQCLSA-N 1 1 343.493 0.495 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCc2ccc3c(c2)OCCO3)CC1 ZINC000360070523 437514380 /nfs/dbraw/zinc/51/43/80/437514380.db2.gz VLESRSQWZFSXOT-UHFFFAOYSA-N 1 1 345.443 0.920 20 30 ECEDMO C=CCCCCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000340001613 437543462 /nfs/dbraw/zinc/54/34/62/437543462.db2.gz XDXVXENNVCKYAJ-MRXNPFEDSA-N 1 1 338.496 0.847 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000330557953 437551012 /nfs/dbraw/zinc/55/10/12/437551012.db2.gz IDGCOVWPOSUYMY-PBHICJAKSA-N 1 1 336.436 0.196 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCO[C@H](C)C2)CC1 ZINC000330630626 437572274 /nfs/dbraw/zinc/57/22/74/437572274.db2.gz DFIBXAOTXGDANU-CHWSQXEVSA-N 1 1 326.441 0.516 20 30 ECEDMO N#Cc1cc(F)c(S(=O)(=O)NCCN2CCCOCC2)c(F)c1 ZINC000189093598 437582118 /nfs/dbraw/zinc/58/21/18/437582118.db2.gz NUDHYYOVOUOUIQ-UHFFFAOYSA-N 1 1 345.371 0.837 20 30 ECEDMO C[C@H](O)C[NH+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000189309761 437589547 /nfs/dbraw/zinc/58/95/47/437589547.db2.gz YICLRACCWHRKFI-GXTWGEPZSA-N 1 1 334.445 0.723 20 30 ECEDMO C[C@H](O)C[NH+]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000189309780 437589893 /nfs/dbraw/zinc/58/98/93/437589893.db2.gz YICLRACCWHRKFI-JSGCOSHPSA-N 1 1 334.445 0.723 20 30 ECEDMO Cc1noc(CCCNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000330830561 437628200 /nfs/dbraw/zinc/62/82/00/437628200.db2.gz GUCAQWSGPYNRTK-RYUDHWBXSA-N 1 1 325.413 0.612 20 30 ECEDMO N#CCCCCS(=O)(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000360698936 437632165 /nfs/dbraw/zinc/63/21/65/437632165.db2.gz MOIQNLHNBCRCMO-LSDHHAIUSA-N 1 1 329.466 0.931 20 30 ECEDMO CN1C[C@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCC1=O ZINC000330854511 437632223 /nfs/dbraw/zinc/63/22/23/437632223.db2.gz HDGUTBVBOSUALW-CYBMUJFWSA-N 1 1 326.441 0.300 20 30 ECEDMO C=CCOCCCC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000343727710 437638184 /nfs/dbraw/zinc/63/81/84/437638184.db2.gz MHZWUJHOFQCPKK-AWEZNQCLSA-N 1 1 332.466 0.547 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000343734642 437641092 /nfs/dbraw/zinc/64/10/92/437641092.db2.gz DANBSMZXFSWSKW-QGZVFWFLSA-N 1 1 348.491 0.886 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](CCO)C2)CC1 ZINC000330939061 437653282 /nfs/dbraw/zinc/65/32/82/437653282.db2.gz WHANYFRCHHIJPY-CYBMUJFWSA-N 1 1 326.441 0.157 20 30 ECEDMO CCCn1cc[nH+]c1CCCN(C)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000192236279 437671075 /nfs/dbraw/zinc/67/10/75/437671075.db2.gz XFAKGRSCLGWPKI-UHFFFAOYSA-N 1 1 344.419 0.631 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000343902184 437689054 /nfs/dbraw/zinc/68/90/54/437689054.db2.gz BOTZOZLOEYDHCB-HOCLYGCPSA-N 1 1 348.491 0.885 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000343898553 437687456 /nfs/dbraw/zinc/68/74/56/437687456.db2.gz ZNFJSOBQOAVNAF-ZBFHGGJFSA-N 1 1 336.480 0.742 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC1 ZINC000343928548 437701317 /nfs/dbraw/zinc/70/13/17/437701317.db2.gz VUWYQUVDYPXVFY-DOTOQJQBSA-N 1 1 348.491 0.696 20 30 ECEDMO CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000331200541 437713573 /nfs/dbraw/zinc/71/35/73/437713573.db2.gz YNNOHHOMEAXBPI-KGLIPLIRSA-N 1 1 342.484 0.838 20 30 ECEDMO CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000331200541 437713576 /nfs/dbraw/zinc/71/35/76/437713576.db2.gz YNNOHHOMEAXBPI-KGLIPLIRSA-N 1 1 342.484 0.838 20 30 ECEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340969397 437765636 /nfs/dbraw/zinc/76/56/36/437765636.db2.gz RRLCEBYYQVNPHZ-CJNGLKHVSA-N 1 1 344.415 0.782 20 30 ECEDMO Cc1nc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)ccc1C#N ZINC000363090351 437768242 /nfs/dbraw/zinc/76/82/42/437768242.db2.gz YDZCCKKZKSCRFK-INIZCTEOSA-N 1 1 341.415 0.640 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)n1 ZINC000362200365 437723781 /nfs/dbraw/zinc/72/37/81/437723781.db2.gz RZKARUCWGVSMCC-UHFFFAOYSA-N 1 1 330.392 0.652 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)n1 ZINC000362200365 437723785 /nfs/dbraw/zinc/72/37/85/437723785.db2.gz RZKARUCWGVSMCC-UHFFFAOYSA-N 1 1 330.392 0.652 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)NC[C@H](O)C(F)(F)F)CC1(C)C ZINC000331263365 437729196 /nfs/dbraw/zinc/72/91/96/437729196.db2.gz FPNCFVPWZJEQJW-JTQLQIEISA-N 1 1 326.363 0.439 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCC[N@H+]1C ZINC000344434879 437753959 /nfs/dbraw/zinc/75/39/59/437753959.db2.gz UVJRHWLITXXWSX-YPMHNXCESA-N 1 1 346.435 1.047 20 30 ECEDMO COC(=O)CN(CC#N)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000345520266 437792973 /nfs/dbraw/zinc/79/29/73/437792973.db2.gz HACXPJUWLBGRTM-INIZCTEOSA-N 1 1 345.399 0.803 20 30 ECEDMO COC(=O)CN(CC#N)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000345520266 437792976 /nfs/dbraw/zinc/79/29/76/437792976.db2.gz HACXPJUWLBGRTM-INIZCTEOSA-N 1 1 345.399 0.803 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000345748533 437798413 /nfs/dbraw/zinc/79/84/13/437798413.db2.gz NFFZOZFSLUEZCI-LSDHHAIUSA-N 1 1 337.468 0.099 20 30 ECEDMO CCOC(=O)[C@@]1(COC)CCC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347192851 437850648 /nfs/dbraw/zinc/85/06/48/437850648.db2.gz FNGHPFVEDDLZTI-INIZCTEOSA-N 1 1 337.420 0.841 20 30 ECEDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347192851 437850654 /nfs/dbraw/zinc/85/06/54/437850654.db2.gz FNGHPFVEDDLZTI-INIZCTEOSA-N 1 1 337.420 0.841 20 30 ECEDMO COCC1(C#N)CC[NH+](CC(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000341970861 437932122 /nfs/dbraw/zinc/93/21/22/437932122.db2.gz DMPZRXWZEFSLIY-UHFFFAOYSA-N 1 1 337.420 0.650 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000341850280 437911625 /nfs/dbraw/zinc/91/16/25/437911625.db2.gz SARCTZXYACMQCY-ZDUSSCGKSA-N 1 1 326.441 0.023 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000342012533 437942328 /nfs/dbraw/zinc/94/23/28/437942328.db2.gz XHQKOOZYOBAWEU-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000342029793 437949634 /nfs/dbraw/zinc/94/96/34/437949634.db2.gz XBIDIFSAKOXTMN-HUUCEWRRSA-N 1 1 325.453 0.932 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000371550236 437952207 /nfs/dbraw/zinc/95/22/07/437952207.db2.gz GHZJCAIJBMNAHF-ZDUSSCGKSA-N 1 1 337.855 0.719 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000371550236 437952212 /nfs/dbraw/zinc/95/22/12/437952212.db2.gz GHZJCAIJBMNAHF-ZDUSSCGKSA-N 1 1 337.855 0.719 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)nn1 ZINC000424660475 437983542 /nfs/dbraw/zinc/98/35/42/437983542.db2.gz UMIKYQBHRHNXEM-OAHLLOKOSA-N 1 1 334.468 0.858 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000342000477 437936962 /nfs/dbraw/zinc/93/69/62/437936962.db2.gz WRTHNXFNICTWQB-MRXNPFEDSA-N 1 1 330.432 0.857 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425205120 438019264 /nfs/dbraw/zinc/01/92/64/438019264.db2.gz OGHSSSASXSPMHU-CQSZACIVSA-N 1 1 346.497 0.755 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000425321275 438019981 /nfs/dbraw/zinc/01/99/81/438019981.db2.gz RQKULSNJAPTFLJ-RHSMWYFYSA-N 1 1 325.453 0.884 20 30 ECEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000348186474 438028407 /nfs/dbraw/zinc/02/84/07/438028407.db2.gz NQGUVTFHTLLSIF-FZLDSSPASA-N 1 1 336.436 0.228 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)C1 ZINC000372120060 438036001 /nfs/dbraw/zinc/03/60/01/438036001.db2.gz KCBLVMSBMKOWQA-HNNXBMFYSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)C1 ZINC000372120060 438036007 /nfs/dbraw/zinc/03/60/07/438036007.db2.gz KCBLVMSBMKOWQA-HNNXBMFYSA-N 1 1 329.404 0.687 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000425879587 438046055 /nfs/dbraw/zinc/04/60/55/438046055.db2.gz IZYOANADLYOJPC-WCVJEAGWSA-N 1 1 337.464 0.930 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000425878353 438046902 /nfs/dbraw/zinc/04/69/02/438046902.db2.gz PSDXPPZNZYLFDU-MJBXVCDLSA-N 1 1 325.409 0.324 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000425910204 438050285 /nfs/dbraw/zinc/05/02/85/438050285.db2.gz UILMIWKVAAQGKI-SOUVJXGZSA-N 1 1 337.464 0.930 20 30 ECEDMO CN1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366354314 438059784 /nfs/dbraw/zinc/05/97/84/438059784.db2.gz LJEVAEITZLQBAX-OAHLLOKOSA-N 1 1 329.404 0.180 20 30 ECEDMO CN1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366354314 438059790 /nfs/dbraw/zinc/05/97/90/438059790.db2.gz LJEVAEITZLQBAX-OAHLLOKOSA-N 1 1 329.404 0.180 20 30 ECEDMO C[NH+]1CCN(C(=O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366354314 438059796 /nfs/dbraw/zinc/05/97/96/438059796.db2.gz LJEVAEITZLQBAX-OAHLLOKOSA-N 1 1 329.404 0.180 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000427056638 438076621 /nfs/dbraw/zinc/07/66/21/438076621.db2.gz ILEIMOWEVFLYBF-IAGOWNOFSA-N 1 1 339.480 0.474 20 30 ECEDMO Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000366636709 438107694 /nfs/dbraw/zinc/10/76/94/438107694.db2.gz TVDZQDPYXRVUDH-HNNXBMFYSA-N 1 1 330.388 0.838 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372704884 438108412 /nfs/dbraw/zinc/10/84/12/438108412.db2.gz MEJWPYUJABCELB-SJLPKXTDSA-N 1 1 339.480 0.738 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373406922 438149523 /nfs/dbraw/zinc/14/95/23/438149523.db2.gz SVWHDSKPUQSMAK-LLVKDONJSA-N 1 1 333.396 0.409 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1F ZINC000367590409 438228626 /nfs/dbraw/zinc/22/86/26/438228626.db2.gz UMZOSXLCCKUIBR-INIZCTEOSA-N 1 1 346.406 0.834 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)n1 ZINC000375067796 438242367 /nfs/dbraw/zinc/24/23/67/438242367.db2.gz ZAPHLJMVCPGNQB-GXTWGEPZSA-N 1 1 344.419 0.827 20 30 ECEDMO C[C@@H]1C[C@H](CNC(=O)NCC(=O)NCC#N)C[N@H+]1Cc1ccccc1 ZINC000367738548 438243248 /nfs/dbraw/zinc/24/32/48/438243248.db2.gz KLAHVSHPWCGAPZ-GDBMZVCRSA-N 1 1 343.431 0.836 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350181163 438200007 /nfs/dbraw/zinc/20/00/07/438200007.db2.gz LCPDKTUOAPGURH-CABCVRRESA-N 1 1 340.468 0.819 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000358661811 438277060 /nfs/dbraw/zinc/27/70/60/438277060.db2.gz IBIVSYNIVQBFQL-UHFFFAOYSA-N 1 1 349.479 0.268 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000376293935 438278129 /nfs/dbraw/zinc/27/81/29/438278129.db2.gz OZMYQVPPVBIVJB-INIZCTEOSA-N 1 1 343.431 0.980 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 ZINC000376320481 438278857 /nfs/dbraw/zinc/27/88/57/438278857.db2.gz HRBJOZXIYBXBSC-DZGCQCFKSA-N 1 1 341.477 0.855 20 30 ECEDMO C=CCCS(=O)(=O)N1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000376534665 438285742 /nfs/dbraw/zinc/28/57/42/438285742.db2.gz HEVMYPKNPXTIRL-HNNXBMFYSA-N 1 1 331.482 0.231 20 30 ECEDMO C=CCCS(=O)(=O)N1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000376534665 438285746 /nfs/dbraw/zinc/28/57/46/438285746.db2.gz HEVMYPKNPXTIRL-HNNXBMFYSA-N 1 1 331.482 0.231 20 30 ECEDMO C#CCSCCNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000378063665 438343883 /nfs/dbraw/zinc/34/38/83/438343883.db2.gz WWAKCDTYKASUPD-GJZGRUSLSA-N 1 1 325.478 0.984 20 30 ECEDMO C=CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000377476006 438311686 /nfs/dbraw/zinc/31/16/86/438311686.db2.gz GXQSERDYBMMBCK-UHFFFAOYSA-N 1 1 344.415 0.705 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000352544311 438438566 /nfs/dbraw/zinc/43/85/66/438438566.db2.gz PYWGDMQVQMMBHV-KBPBESRZSA-N 1 1 344.481 0.350 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000352544311 438438572 /nfs/dbraw/zinc/43/85/72/438438572.db2.gz PYWGDMQVQMMBHV-KBPBESRZSA-N 1 1 344.481 0.350 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000359347679 438416188 /nfs/dbraw/zinc/41/61/88/438416188.db2.gz STSZALLIFOOGSH-JKSUJKDBSA-N 1 1 349.479 0.243 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000438459035 438480573 /nfs/dbraw/zinc/48/05/73/438480573.db2.gz XMWINYVAICYRKH-ZOBUZTSGSA-N 1 1 341.452 0.350 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000352884865 438488534 /nfs/dbraw/zinc/48/85/34/438488534.db2.gz SDFJIYUFDLSCEF-UHFFFAOYSA-N 1 1 337.449 0.956 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000369951380 438534165 /nfs/dbraw/zinc/53/41/65/438534165.db2.gz JPHYHVJNTRKINC-MRXNPFEDSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000369951380 438534167 /nfs/dbraw/zinc/53/41/67/438534167.db2.gz JPHYHVJNTRKINC-MRXNPFEDSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000369951912 438534607 /nfs/dbraw/zinc/53/46/07/438534607.db2.gz MVXDTQGZEATRLS-OAHLLOKOSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000369951912 438534610 /nfs/dbraw/zinc/53/46/10/438534610.db2.gz MVXDTQGZEATRLS-OAHLLOKOSA-N 1 1 329.404 0.369 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370118341 438552854 /nfs/dbraw/zinc/55/28/54/438552854.db2.gz AHIOXMGNSZGYBH-MRXNPFEDSA-N 1 1 329.408 0.841 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCO)CCNC(=O)OC(C)(C)C)C1=O ZINC000493116251 438605693 /nfs/dbraw/zinc/60/56/93/438605693.db2.gz VIPSGTDQYCZNLA-ZDUSSCGKSA-N 1 1 327.425 0.592 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)CCNC(=O)OC(C)(C)C)C1=O ZINC000493116251 438605696 /nfs/dbraw/zinc/60/56/96/438605696.db2.gz VIPSGTDQYCZNLA-ZDUSSCGKSA-N 1 1 327.425 0.592 20 30 ECEDMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC(C)(C)CC#N)C[C@H](C)O1 ZINC000422487744 438578101 /nfs/dbraw/zinc/57/81/01/438578101.db2.gz KZOFOMFIUODWPX-OKILXGFUSA-N 1 1 338.452 0.658 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452355469 438654751 /nfs/dbraw/zinc/65/47/51/438654751.db2.gz XTYIKNKLJBJDOT-OAHLLOKOSA-N 1 1 347.415 0.909 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000410907533 438665874 /nfs/dbraw/zinc/66/58/74/438665874.db2.gz DBTWAHTXDGQEGD-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000447394302 438676174 /nfs/dbraw/zinc/67/61/74/438676174.db2.gz QDGCWEPEJOBJQU-UXLLHSPISA-N 1 1 341.452 0.387 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000447394302 438676177 /nfs/dbraw/zinc/67/61/77/438676177.db2.gz QDGCWEPEJOBJQU-UXLLHSPISA-N 1 1 341.452 0.387 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000447389039 438677021 /nfs/dbraw/zinc/67/70/21/438677021.db2.gz YDMORUOLZSKUFW-RRFJBIMHSA-N 1 1 327.425 0.093 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411972040 438683407 /nfs/dbraw/zinc/68/34/07/438683407.db2.gz UYPMHTZOEXQULK-SFHVURJKSA-N 1 1 328.416 0.878 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H](C)[N@H+]1CCO ZINC000453925233 438701648 /nfs/dbraw/zinc/70/16/48/438701648.db2.gz CGKCVQLGRVFWEG-BETUJISGSA-N 1 1 330.388 0.410 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H](C)[N@@H+]1CCO ZINC000453925233 438701653 /nfs/dbraw/zinc/70/16/53/438701653.db2.gz CGKCVQLGRVFWEG-BETUJISGSA-N 1 1 330.388 0.410 20 30 ECEDMO C=CCc1cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cc(OC)c1O ZINC000443861315 438657475 /nfs/dbraw/zinc/65/74/75/438657475.db2.gz WRTAOTWRSIDFAK-CYBMUJFWSA-N 1 1 326.418 0.992 20 30 ECEDMO C=CCc1cc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)cc(OC)c1O ZINC000443861315 438657479 /nfs/dbraw/zinc/65/74/79/438657479.db2.gz WRTAOTWRSIDFAK-CYBMUJFWSA-N 1 1 326.418 0.992 20 30 ECEDMO CNC(=O)CCOC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000494932368 438713497 /nfs/dbraw/zinc/71/34/97/438713497.db2.gz CLDYWWZKVUVDEO-KRWDZBQOSA-N 1 1 336.436 0.412 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(c3cc(C#N)ncn3)CC2)CC1 ZINC000574954419 438728585 /nfs/dbraw/zinc/72/85/85/438728585.db2.gz XUFCCIQYYQISEN-UHFFFAOYSA-N 1 1 328.420 0.729 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000576412250 438782322 /nfs/dbraw/zinc/78/23/22/438782322.db2.gz MAOMPBQRYGUJKU-CABCVRRESA-N 1 1 344.481 0.509 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](OC(F)F)C2)CC1 ZINC000558863782 438829088 /nfs/dbraw/zinc/82/90/88/438829088.db2.gz FNUVDBNCENRJOE-KBPBESRZSA-N 1 1 344.406 0.992 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](OC(F)F)C2)CC1 ZINC000558863782 438829093 /nfs/dbraw/zinc/82/90/93/438829093.db2.gz FNUVDBNCENRJOE-KBPBESRZSA-N 1 1 344.406 0.992 20 30 ECEDMO N#Cc1ncn(CCNC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)n1 ZINC000595621350 438836072 /nfs/dbraw/zinc/83/60/72/438836072.db2.gz NSROPNRVCXJROC-OAHLLOKOSA-N 1 1 339.403 0.723 20 30 ECEDMO C[N@H+](CCO)Cc1cc(NC(=O)Cn2cnc(C#N)n2)ccc1Cl ZINC000588821030 438842136 /nfs/dbraw/zinc/84/21/36/438842136.db2.gz WEUKYKBWPAJBRJ-UHFFFAOYSA-N 1 1 348.794 0.866 20 30 ECEDMO C[N@@H+](CCO)Cc1cc(NC(=O)Cn2cnc(C#N)n2)ccc1Cl ZINC000588821030 438842143 /nfs/dbraw/zinc/84/21/43/438842143.db2.gz WEUKYKBWPAJBRJ-UHFFFAOYSA-N 1 1 348.794 0.866 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000590010974 438896838 /nfs/dbraw/zinc/89/68/38/438896838.db2.gz DJXKIYSQJQKWCY-YESZJQIVSA-N 1 1 333.480 0.315 20 30 ECEDMO CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000577813012 438871582 /nfs/dbraw/zinc/87/15/82/438871582.db2.gz SSDIAUNBROVRRA-QGZVFWFLSA-N 1 1 347.419 0.350 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000564306867 438871957 /nfs/dbraw/zinc/87/19/57/438871957.db2.gz WNLFWSMMOWMFRL-OLZOCXBDSA-N 1 1 342.490 0.868 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000564912783 438886563 /nfs/dbraw/zinc/88/65/63/438886563.db2.gz JJDHPOOPBDWYCS-MRXNPFEDSA-N 1 1 337.445 0.893 20 30 ECEDMO CN(CCC#N)C[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000578006808 438887621 /nfs/dbraw/zinc/88/76/21/438887621.db2.gz UEWGHRBRFJDOFJ-SQNIBIBYSA-N 1 1 338.496 0.550 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(CCC#N)CC1 ZINC000601592150 438939344 /nfs/dbraw/zinc/93/93/44/438939344.db2.gz RUMCZFDMWUMNGK-MRXNPFEDSA-N 1 1 336.484 0.253 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590281121 438908866 /nfs/dbraw/zinc/90/88/66/438908866.db2.gz MCBYECMIQVJAAP-JSGCOSHPSA-N 1 1 328.372 0.668 20 30 ECEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc(C#N)c(N)n2)CC1 ZINC000565491632 438954649 /nfs/dbraw/zinc/95/46/49/438954649.db2.gz MJHVMAQWPSSARD-UHFFFAOYSA-N 1 1 330.436 0.916 20 30 ECEDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ccc(C#N)c(N)n2)CC1 ZINC000565491632 438954653 /nfs/dbraw/zinc/95/46/53/438954653.db2.gz MJHVMAQWPSSARD-UHFFFAOYSA-N 1 1 330.436 0.916 20 30 ECEDMO C=CCN1C(=O)C(=O)N(Cc2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000565533694 438960859 /nfs/dbraw/zinc/96/08/59/438960859.db2.gz DDFWDRFWAXAEBX-UHFFFAOYSA-N 1 1 343.383 0.996 20 30 ECEDMO C=CCn1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])nn1 ZINC000579345089 439000297 /nfs/dbraw/zinc/00/02/97/439000297.db2.gz PNKDRXNYJNIYRH-CYBMUJFWSA-N 1 1 333.348 0.902 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000579352206 439001270 /nfs/dbraw/zinc/00/12/70/439001270.db2.gz ZUKNTKUYIJNFJB-ZDUSSCGKSA-N 1 1 331.376 0.119 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)nc1 ZINC000579583826 439020076 /nfs/dbraw/zinc/02/00/76/439020076.db2.gz NQOSBPWVSGFHDL-ZIAGYGMSSA-N 1 1 348.428 0.470 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC2)C1 ZINC000591559391 439021271 /nfs/dbraw/zinc/02/12/71/439021271.db2.gz XTBCSJCGQWFOGY-HNNXBMFYSA-N 1 1 349.479 0.281 20 30 ECEDMO COCCN(CCC#N)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1C ZINC000597273028 439067775 /nfs/dbraw/zinc/06/77/75/439067775.db2.gz OUMFIUYSQZYEEU-KGLIPLIRSA-N 1 1 334.424 0.717 20 30 ECEDMO CN1C[C@H]([NH+](C)CC#CC[N@H+](C)[C@H]2CCC(=O)N(C)C2)CCC1=O ZINC000580212900 439073198 /nfs/dbraw/zinc/07/31/98/439073198.db2.gz ADVQZRHXIXAUJA-IYBDPMFKSA-N 1 1 334.464 0.095 20 30 ECEDMO CN(CC#CC[N@H+](C)[C@H]1CCC(=O)N(C)C1)[C@@H]1CCC(=O)N(C)C1 ZINC000580212900 439073213 /nfs/dbraw/zinc/07/32/13/439073213.db2.gz ADVQZRHXIXAUJA-IYBDPMFKSA-N 1 1 334.464 0.095 20 30 ECEDMO CN(CC#CC[N@@H+](C)[C@H]1CCC(=O)N(C)C1)[C@@H]1CCC(=O)N(C)C1 ZINC000580212900 439073215 /nfs/dbraw/zinc/07/32/15/439073215.db2.gz ADVQZRHXIXAUJA-IYBDPMFKSA-N 1 1 334.464 0.095 20 30 ECEDMO CN(CC#CC[N@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@H]1CCC(=O)N(C)C1 ZINC000580212900 439073222 /nfs/dbraw/zinc/07/32/22/439073222.db2.gz ADVQZRHXIXAUJA-IYBDPMFKSA-N 1 1 334.464 0.095 20 30 ECEDMO CN(CC#CC[N@@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@H]1CCC(=O)N(C)C1 ZINC000580212900 439073226 /nfs/dbraw/zinc/07/32/26/439073226.db2.gz ADVQZRHXIXAUJA-IYBDPMFKSA-N 1 1 334.464 0.095 20 30 ECEDMO COCCc1ccc(OC[C@H](O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592155129 439169795 /nfs/dbraw/zinc/16/97/95/439169795.db2.gz YGEBXPRLOWTZRW-SJLPKXTDSA-N 1 1 334.416 0.966 20 30 ECEDMO C[NH+](C)C1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000597564738 439127406 /nfs/dbraw/zinc/12/74/06/439127406.db2.gz XFQGBZNUNVAXBR-OAHLLOKOSA-N 1 1 326.400 0.870 20 30 ECEDMO N#CCC(=O)N1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602840114 439143111 /nfs/dbraw/zinc/14/31/11/439143111.db2.gz IXGYLWTVGWNHEJ-IBGZPJMESA-N 1 1 342.443 0.681 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000592195392 439176703 /nfs/dbraw/zinc/17/67/03/439176703.db2.gz KADOAPMCSVDWDU-ZIAGYGMSSA-N 1 1 331.372 0.743 20 30 ECEDMO CCCN(C(=O)C(=O)Nc1cc(C)n(CCC#N)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000592299974 439195280 /nfs/dbraw/zinc/19/52/80/439195280.db2.gz DJCWXRZUCGPLBQ-CQSZACIVSA-N 1 1 346.435 0.986 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)cc1 ZINC000581488900 439216798 /nfs/dbraw/zinc/21/67/98/439216798.db2.gz DMNWWTNGVYMUNP-IRXDYDNUSA-N 1 1 333.432 0.734 20 30 ECEDMO N#CCC1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000598031130 439219038 /nfs/dbraw/zinc/21/90/38/439219038.db2.gz KGAFSNUZXPJTIQ-HNNXBMFYSA-N 1 1 334.420 0.072 20 30 ECEDMO Cc1nc(C#N)n(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000603351348 439244499 /nfs/dbraw/zinc/24/44/99/439244499.db2.gz GPAZFXWCHDMPCM-HNNXBMFYSA-N 1 1 333.436 0.845 20 30 ECEDMO CCN1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cn2)CC1 ZINC000581723739 439247295 /nfs/dbraw/zinc/24/72/95/439247295.db2.gz UKGXTQNKEYPBCZ-INIZCTEOSA-N 1 1 344.463 0.861 20 30 ECEDMO N#Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000603409804 439255700 /nfs/dbraw/zinc/25/57/00/439255700.db2.gz CPQWLCLQBMLCGJ-INIZCTEOSA-N 1 1 343.431 0.480 20 30 ECEDMO N#Cc1ccc(OCC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000598455075 439265471 /nfs/dbraw/zinc/26/54/71/439265471.db2.gz ZRDARDKEJBWWEI-INIZCTEOSA-N 1 1 329.400 0.995 20 30 ECEDMO N#CCC1(CS(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000568653550 439267507 /nfs/dbraw/zinc/26/75/07/439267507.db2.gz DSPUAJHHNXDKNI-AWEZNQCLSA-N 1 1 329.466 0.837 20 30 ECEDMO C#CCN(C(=O)NCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490915278 439312360 /nfs/dbraw/zinc/31/23/60/439312360.db2.gz MROMHXYDSWZTAM-CQSZACIVSA-N 1 1 338.433 0.414 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000491071538 439327881 /nfs/dbraw/zinc/32/78/81/439327881.db2.gz LBQKAFXMXAQTLY-SFHVURJKSA-N 1 1 342.443 0.183 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000491070525 439328388 /nfs/dbraw/zinc/32/83/88/439328388.db2.gz CVOBOHFYIVLCCY-VXGBXAGGSA-N 1 1 333.354 0.905 20 30 ECEDMO CN1C(=O)NC2(CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)C1=O ZINC000593018821 439330212 /nfs/dbraw/zinc/33/02/12/439330212.db2.gz BFGVYJNCQXUWGK-UHFFFAOYSA-N 1 1 343.343 0.983 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)oc1CC ZINC000491120200 439332368 /nfs/dbraw/zinc/33/23/68/439332368.db2.gz LSWMYSADHBUKCP-UHFFFAOYSA-N 1 1 342.417 0.862 20 30 ECEDMO C#CC[N@@H+](CC#CC)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000490715593 439288769 /nfs/dbraw/zinc/28/87/69/439288769.db2.gz XRDSYKKKLYUHPZ-INIZCTEOSA-N 1 1 325.368 0.823 20 30 ECEDMO C#CC[N@H+](CC#CC)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000490715593 439288774 /nfs/dbraw/zinc/28/87/74/439288774.db2.gz XRDSYKKKLYUHPZ-INIZCTEOSA-N 1 1 325.368 0.823 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000490779510 439298365 /nfs/dbraw/zinc/29/83/65/439298365.db2.gz XPQNYPAIVUTPKM-UHFFFAOYSA-N 1 1 340.471 0.976 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000490871973 439304528 /nfs/dbraw/zinc/30/45/28/439304528.db2.gz DHQWDXPDFDRQSE-CYBMUJFWSA-N 1 1 340.401 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000490871973 439304533 /nfs/dbraw/zinc/30/45/33/439304533.db2.gz DHQWDXPDFDRQSE-CYBMUJFWSA-N 1 1 340.401 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000490891284 439307011 /nfs/dbraw/zinc/30/70/11/439307011.db2.gz CIGRORYYCFJBOB-GUYCJALGSA-N 1 1 333.388 0.348 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000490914269 439310449 /nfs/dbraw/zinc/31/04/49/439310449.db2.gz GWSJUJRSLAMRQY-UONOGXRCSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000490914269 439310454 /nfs/dbraw/zinc/31/04/54/439310454.db2.gz GWSJUJRSLAMRQY-UONOGXRCSA-N 1 1 349.456 0.763 20 30 ECEDMO CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 ZINC000598743954 439312095 /nfs/dbraw/zinc/31/20/95/439312095.db2.gz ZCFFNSBURSZCFV-CYBMUJFWSA-N 1 1 333.440 0.243 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CCN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000528477839 439339478 /nfs/dbraw/zinc/33/94/78/439339478.db2.gz XXOQZFYIKACBCF-UHFFFAOYSA-N 1 1 349.394 0.831 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528513744 439344414 /nfs/dbraw/zinc/34/44/14/439344414.db2.gz VNAZGMNWJCCNLC-UKRRQHHQSA-N 1 1 338.429 0.664 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528513744 439344419 /nfs/dbraw/zinc/34/44/19/439344419.db2.gz VNAZGMNWJCCNLC-UKRRQHHQSA-N 1 1 338.429 0.664 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000491209460 439348486 /nfs/dbraw/zinc/34/84/86/439348486.db2.gz HLWWFNOBKSDTHT-UHFFFAOYSA-N 1 1 330.388 0.655 20 30 ECEDMO N#Cc1ccc(OC2CCC(Nc3nc(N)nc(N)[nH+]3)CC2)nc1 ZINC000599063617 439351440 /nfs/dbraw/zinc/35/14/40/439351440.db2.gz FFNZGPRAPFJOTO-UHFFFAOYSA-N 1 1 326.364 0.187 20 30 ECEDMO N#CC1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000569890438 439370219 /nfs/dbraw/zinc/37/02/19/439370219.db2.gz BRWZCXHRVWDJNU-AWEZNQCLSA-N 1 1 334.420 0.120 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CC1 ZINC000491652873 439419755 /nfs/dbraw/zinc/41/97/55/439419755.db2.gz MWCBUMGISYZAKB-ZWKOTPCHSA-N 1 1 333.476 0.637 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000593605811 439422193 /nfs/dbraw/zinc/42/21/93/439422193.db2.gz KIILTUSKDZTDMY-GFCCVEGCSA-N 1 1 337.401 0.575 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000491669821 439424817 /nfs/dbraw/zinc/42/48/17/439424817.db2.gz OCLKQOPMAGHANM-UHFFFAOYSA-N 1 1 348.447 0.655 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000491676354 439425912 /nfs/dbraw/zinc/42/59/12/439425912.db2.gz WEEGFACEUHYDAU-AWEZNQCLSA-N 1 1 344.481 0.055 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)CC1 ZINC000491681431 439425945 /nfs/dbraw/zinc/42/59/45/439425945.db2.gz NALCRLWZMMCDOK-INIZCTEOSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)CC1 ZINC000491681431 439425951 /nfs/dbraw/zinc/42/59/51/439425951.db2.gz NALCRLWZMMCDOK-INIZCTEOSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000491775461 439448136 /nfs/dbraw/zinc/44/81/36/439448136.db2.gz BTSOATSROKAJRY-UKRRQHHQSA-N 1 1 335.429 0.403 20 30 ECEDMO C[NH+](C)CC[C@H](N)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593918291 439493707 /nfs/dbraw/zinc/49/37/07/439493707.db2.gz DCZFFIHYQQUFLP-SFHVURJKSA-N 1 1 343.475 0.918 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000599564251 439506800 /nfs/dbraw/zinc/50/68/00/439506800.db2.gz REQODHBUIHMRJO-KRWDZBQOSA-N 1 1 331.372 0.438 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000599564251 439506804 /nfs/dbraw/zinc/50/68/04/439506804.db2.gz REQODHBUIHMRJO-KRWDZBQOSA-N 1 1 331.372 0.438 20 30 ECEDMO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599396618 439457001 /nfs/dbraw/zinc/45/70/01/439457001.db2.gz RUJMFQPSQKKXCY-WBVHZDCISA-N 1 1 333.432 0.950 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(S(N)(=O)=O)cc(C)c1C ZINC000491816439 439457544 /nfs/dbraw/zinc/45/75/44/439457544.db2.gz WSTMFMIJGNSUMM-UHFFFAOYSA-N 1 1 337.445 0.636 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n(CCC#N)n1 ZINC000533001435 439522328 /nfs/dbraw/zinc/52/23/28/439522328.db2.gz GZMROHLJAPOVAX-KGLIPLIRSA-N 1 1 344.419 0.739 20 30 ECEDMO N#CCCN(CCN1CCOCC1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000539785582 439549485 /nfs/dbraw/zinc/54/94/85/439549485.db2.gz NYJGMOYLYJEYMW-UHFFFAOYSA-N 1 1 345.447 0.836 20 30 ECEDMO COc1cc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(F)cc1C#N ZINC000599807570 439562816 /nfs/dbraw/zinc/56/28/16/439562816.db2.gz BASOBKYSMWOPNC-GFCCVEGCSA-N 1 1 334.351 0.989 20 30 ECEDMO COc1cc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(F)cc1C#N ZINC000599807570 439562822 /nfs/dbraw/zinc/56/28/22/439562822.db2.gz BASOBKYSMWOPNC-GFCCVEGCSA-N 1 1 334.351 0.989 20 30 ECEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000599940190 439581957 /nfs/dbraw/zinc/58/19/57/439581957.db2.gz MJCQXFPLWOWZLN-KZNAEPCWSA-N 1 1 338.411 0.908 20 30 ECEDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 ZINC000595194016 439671977 /nfs/dbraw/zinc/67/19/77/439671977.db2.gz GTNBYBLGBVFNLH-CYBMUJFWSA-N 1 1 332.408 0.644 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000585803608 439653455 /nfs/dbraw/zinc/65/34/55/439653455.db2.gz UCGMGSAIKJRWKQ-QGZVFWFLSA-N 1 1 343.387 0.674 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610912365 439658298 /nfs/dbraw/zinc/65/82/98/439658298.db2.gz AFMRTFNBXJYPMV-BLLLJJGKSA-N 1 1 333.388 0.781 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610912365 439658301 /nfs/dbraw/zinc/65/83/01/439658301.db2.gz AFMRTFNBXJYPMV-BLLLJJGKSA-N 1 1 333.388 0.781 20 30 ECEDMO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000595161209 439664692 /nfs/dbraw/zinc/66/46/92/439664692.db2.gz GRGHCKYYLCJIKF-KRWDZBQOSA-N 1 1 334.420 0.072 20 30 ECEDMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1cccc(C#N)c1 ZINC000587729859 439669665 /nfs/dbraw/zinc/66/96/65/439669665.db2.gz LLVNLBRCEQYGNG-HEHGZKQESA-N 1 1 344.415 0.571 20 30 ECEDMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1cccc(C#N)c1 ZINC000587729859 439669668 /nfs/dbraw/zinc/66/96/68/439669668.db2.gz LLVNLBRCEQYGNG-HEHGZKQESA-N 1 1 344.415 0.571 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600765771 439701332 /nfs/dbraw/zinc/70/13/32/439701332.db2.gz MXCWORMRDKZMGT-ZFWWWQNUSA-N 1 1 338.452 0.477 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000600808280 439704333 /nfs/dbraw/zinc/70/43/33/439704333.db2.gz KMBNAZKLPNHADH-DLBZAZTESA-N 1 1 328.416 0.710 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCC1 ZINC000595385024 439718388 /nfs/dbraw/zinc/71/83/88/439718388.db2.gz RTAPEBHJMQRFOZ-CQSZACIVSA-N 1 1 327.450 0.541 20 30 ECEDMO CC(C)[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)N1CCN(C)CC1 ZINC000574685106 439719791 /nfs/dbraw/zinc/71/97/91/439719791.db2.gz ZAPUDBCLYSOVMG-IRXDYDNUSA-N 1 1 325.501 0.054 20 30 ECEDMO N#CCCN1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000611175706 439678418 /nfs/dbraw/zinc/67/84/18/439678418.db2.gz KUKCRSUPQLVSQV-CQSZACIVSA-N 1 1 333.388 0.686 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000611225056 439682518 /nfs/dbraw/zinc/68/25/18/439682518.db2.gz PRAVXRXFDCGOHK-HNNXBMFYSA-N 1 1 346.435 0.365 20 30 ECEDMO Cn1cc(C#N)c(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)n1 ZINC000613772965 439763767 /nfs/dbraw/zinc/76/37/67/439763767.db2.gz RIJXSFYBINYIDX-UHFFFAOYSA-N 1 1 333.440 0.829 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+][C@@](C)(CC(=O)OC)c1ccncc1 ZINC000595482836 439732931 /nfs/dbraw/zinc/73/29/31/439732931.db2.gz KHZXBOHKUDIGHU-INIZCTEOSA-N 1 1 334.376 0.461 20 30 ECEDMO Cn1cc([C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)C2(CO)CCC2)cn1 ZINC000595492983 439734422 /nfs/dbraw/zinc/73/44/22/439734422.db2.gz IUJBWWMMBRFRIQ-OAHLLOKOSA-N 1 1 331.420 0.776 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1 ZINC001041735032 782081837 /nfs/dbraw/zinc/08/18/37/782081837.db2.gz BFPQWJGEADDHKJ-LKGZKJKYSA-N 1 1 346.431 0.475 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000615791721 439806438 /nfs/dbraw/zinc/80/64/38/439806438.db2.gz TXSIDAPTWGEFSK-CVEARBPZSA-N 1 1 333.480 0.649 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641666113 439882612 /nfs/dbraw/zinc/88/26/12/439882612.db2.gz AOONEILOSGLDOG-DLBZAZTESA-N 1 1 339.480 0.880 20 30 ECEDMO C=CCCCS(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641698695 439902773 /nfs/dbraw/zinc/90/27/73/439902773.db2.gz ZUSOGGNQFSYXMP-MRXNPFEDSA-N 1 1 345.509 0.669 20 30 ECEDMO C=CCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641698695 439902780 /nfs/dbraw/zinc/90/27/80/439902780.db2.gz ZUSOGGNQFSYXMP-MRXNPFEDSA-N 1 1 345.509 0.669 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000658616853 440038254 /nfs/dbraw/zinc/03/82/54/440038254.db2.gz UVBSVGHKUPEGIB-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCN(C(=O)NC1CC[NH+](CC(=O)NC)CC1)[C@H](C)COC ZINC000663663156 440147742 /nfs/dbraw/zinc/14/77/42/440147742.db2.gz GHRTZLSDHHENPM-CYBMUJFWSA-N 1 1 326.441 0.429 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000656192160 440743943 /nfs/dbraw/zinc/74/39/43/440743943.db2.gz AUYVPBOFUNYKIA-IJEWVQPXSA-N 1 1 327.425 0.102 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)CC2(OC)CCOCC2)CC1 ZINC000651551686 440865116 /nfs/dbraw/zinc/86/51/16/440865116.db2.gz JWFPNVYVJXJASP-UHFFFAOYSA-N 1 1 332.466 0.752 20 30 ECEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639863492 440817845 /nfs/dbraw/zinc/81/78/45/440817845.db2.gz LATJVZIFWADGDW-GASCZTMLSA-N 1 1 341.477 0.710 20 30 ECEDMO C=CC[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)[C@H](C)COC ZINC000661243632 440819904 /nfs/dbraw/zinc/81/99/04/440819904.db2.gz LGPUYBCWZFZCTM-OAHLLOKOSA-N 1 1 327.469 0.736 20 30 ECEDMO C=CC[N@@H+](CC(=O)NCC(C)(C)N1CCOCC1)[C@H](C)COC ZINC000661243632 440819907 /nfs/dbraw/zinc/81/99/07/440819907.db2.gz LGPUYBCWZFZCTM-OAHLLOKOSA-N 1 1 327.469 0.736 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(=O)NC)C2)C1 ZINC001041736681 782086139 /nfs/dbraw/zinc/08/61/39/782086139.db2.gz VXNCNNVSIMSCKT-ZVZYQTTQSA-N 1 1 335.448 0.638 20 30 ECEDMO N#Cc1ncn(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000561271029 322258457 /nfs/dbraw/zinc/25/84/57/322258457.db2.gz VVTYBTPNVVERTA-OAHLLOKOSA-N 1 1 339.403 0.573 20 30 ECEDMO COC(=O)c1ccc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C#N)n1 ZINC000563418204 322317059 /nfs/dbraw/zinc/31/70/59/322317059.db2.gz RMDHBLXOILIMDX-GFCCVEGCSA-N 1 1 345.403 0.739 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001041755522 782135012 /nfs/dbraw/zinc/13/50/12/782135012.db2.gz PLQZWZKDYFXECM-GOSISDBHSA-N 1 1 344.415 0.686 20 30 ECEDMO C[N@@H+](CCNC(=O)NCC1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000328679271 546003756 /nfs/dbraw/zinc/00/37/56/546003756.db2.gz MXKGHCVXAOUNSZ-UHFFFAOYSA-N 1 1 332.470 0.256 20 30 ECEDMO Cn1ncc2c1C[C@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)CC2 ZINC000328697227 546004747 /nfs/dbraw/zinc/00/47/47/546004747.db2.gz DKWCCKCGFTYKBS-DYVFJYSZSA-N 1 1 336.436 0.565 20 30 ECEDMO CN1C[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000328702272 546004760 /nfs/dbraw/zinc/00/47/60/546004760.db2.gz NSQDUBCSNVJWEH-INIZCTEOSA-N 1 1 330.432 0.991 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)NC[C@@]2(N3CCOCC3)CCSC2)[N@H+](C)C1 ZINC000328979418 546010683 /nfs/dbraw/zinc/01/06/83/546010683.db2.gz XJYJDKSWXINSCN-DZKIICNBSA-N 1 1 343.493 0.870 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)NC[C@@]2(N3CCOCC3)CCSC2)[N@@H+](C)C1 ZINC000328979418 546010688 /nfs/dbraw/zinc/01/06/88/546010688.db2.gz XJYJDKSWXINSCN-DZKIICNBSA-N 1 1 343.493 0.870 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CSCC(=O)N1CCCCC1 ZINC000329400587 546022090 /nfs/dbraw/zinc/02/20/90/546022090.db2.gz YSNPPYDVGDSBNP-AWEZNQCLSA-N 1 1 342.509 0.934 20 30 ECEDMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000329953689 546037042 /nfs/dbraw/zinc/03/70/42/546037042.db2.gz NKBHRPRZSKYOIH-LSDHHAIUSA-N 1 1 333.436 0.766 20 30 ECEDMO CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330218884 546041157 /nfs/dbraw/zinc/04/11/57/546041157.db2.gz JTPHTYMZXMYXQT-HNNXBMFYSA-N 1 1 336.436 0.651 20 30 ECEDMO C[C@H](C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1)n1cnc(C#N)n1 ZINC000619611616 546348053 /nfs/dbraw/zinc/34/80/53/546348053.db2.gz RWPSYPFOKUQFOO-ZIAGYGMSSA-N 1 1 332.408 0.424 20 30 ECEDMO C[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C1([NH+]2CCOCC2)CCCC1 ZINC000619613725 546348182 /nfs/dbraw/zinc/34/81/82/546348182.db2.gz SSCKVOYXKOAQAJ-ZIAGYGMSSA-N 1 1 346.435 0.860 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000619708614 546359306 /nfs/dbraw/zinc/35/93/06/546359306.db2.gz DPSUPLVLEPXOJY-GJZGRUSLSA-N 1 1 344.481 0.509 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000668685403 547725162 /nfs/dbraw/zinc/72/51/62/547725162.db2.gz LKWWHCQTJPIRFX-DOTOQJQBSA-N 1 1 338.496 0.847 20 30 ECEDMO C=CCn1c(-c2cc[nH]n2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000669029318 547816510 /nfs/dbraw/zinc/81/65/10/547816510.db2.gz XYCCAPMMGYWEJA-ZDUSSCGKSA-N 1 1 329.408 0.765 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)cn1 ZINC001078032673 782180762 /nfs/dbraw/zinc/18/07/62/782180762.db2.gz ZXUXQQUDQPCUTJ-ZTFGCOKTSA-N 1 1 343.427 0.655 20 30 ECEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000752157365 579381567 /nfs/dbraw/zinc/38/15/67/579381567.db2.gz MLYLIVIMLHUNSA-QMMMGPOBSA-N 1 1 327.366 0.592 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)NCCNC(=O)C2N=CC=CC2=O)C[N@H+]1C1CC1 ZINC000753932487 579409438 /nfs/dbraw/zinc/40/94/38/579409438.db2.gz RTWVRVGZAFTDFN-IYGFFZQVSA-N 1 1 347.419 0.437 20 30 ECEDMO CNC(=O)C1([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCC1 ZINC000754350814 579416737 /nfs/dbraw/zinc/41/67/37/579416737.db2.gz GEUHJHHVCZJAHR-UHFFFAOYSA-N 1 1 335.429 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000730104702 578303450 /nfs/dbraw/zinc/30/34/50/578303450.db2.gz UCZZAYOYRLRUQX-HOTGVXAUSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000730104702 578303451 /nfs/dbraw/zinc/30/34/51/578303451.db2.gz UCZZAYOYRLRUQX-HOTGVXAUSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000730273847 578304189 /nfs/dbraw/zinc/30/41/89/578304189.db2.gz AJVFWIARFYQKIX-AWEZNQCLSA-N 1 1 346.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000730273847 578304190 /nfs/dbraw/zinc/30/41/90/578304190.db2.gz AJVFWIARFYQKIX-AWEZNQCLSA-N 1 1 346.431 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCCCOCC)CC1 ZINC000730276112 578304349 /nfs/dbraw/zinc/30/43/49/578304349.db2.gz GIZQGKWBSIPOQS-KRWDZBQOSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCCCOCC)CC1 ZINC000730276112 578304350 /nfs/dbraw/zinc/30/43/50/578304350.db2.gz GIZQGKWBSIPOQS-KRWDZBQOSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000732117810 578319831 /nfs/dbraw/zinc/31/98/31/578319831.db2.gz DONZBMKRJQLAQM-HIFRSBDPSA-N 1 1 331.420 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000732117810 578319832 /nfs/dbraw/zinc/31/98/32/578319832.db2.gz DONZBMKRJQLAQM-HIFRSBDPSA-N 1 1 331.420 0.681 20 30 ECEDMO C[NH+]1CCN(c2cc(C(=O)Nc3cnn(CC#N)c3)ccn2)CC1 ZINC000732755401 578329218 /nfs/dbraw/zinc/32/92/18/578329218.db2.gz UZRIONJHVLYMLE-UHFFFAOYSA-N 1 1 325.376 0.806 20 30 ECEDMO COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C[C@@H]21 ZINC000794970894 578602294 /nfs/dbraw/zinc/60/22/94/578602294.db2.gz HRWBNISEBWRNHN-QMCVQRASSA-N 1 1 330.384 0.843 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCc2ccc(S(N)(=O)=O)cc2)C1=O ZINC000799176290 578660648 /nfs/dbraw/zinc/66/06/48/578660648.db2.gz LLAPJAFCENCGDM-OAHLLOKOSA-N 1 1 337.445 0.595 20 30 ECEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000780057797 578685480 /nfs/dbraw/zinc/68/54/80/578685480.db2.gz YUTOPQZVSVGVFT-STQMWFEESA-N 1 1 330.388 0.984 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000780855468 578701221 /nfs/dbraw/zinc/70/12/21/578701221.db2.gz KZNPZLYLKLBXRA-IRXDYDNUSA-N 1 1 329.400 0.915 20 30 ECEDMO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)CC1(O)CCOCC1 ZINC000781966214 578717544 /nfs/dbraw/zinc/71/75/44/578717544.db2.gz LICWRFGTIVBAMX-UHFFFAOYSA-N 1 1 342.399 0.893 20 30 ECEDMO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)CC1(O)CCOCC1 ZINC000781966214 578717545 /nfs/dbraw/zinc/71/75/45/578717545.db2.gz LICWRFGTIVBAMX-UHFFFAOYSA-N 1 1 342.399 0.893 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000783013484 578737475 /nfs/dbraw/zinc/73/74/75/578737475.db2.gz RBLHTTYYFNVJIP-CQSZACIVSA-N 1 1 331.482 0.864 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000783304979 578741029 /nfs/dbraw/zinc/74/10/29/578741029.db2.gz BABLKQXLRMNQDS-AWEZNQCLSA-N 1 1 347.481 0.339 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788474088 578838108 /nfs/dbraw/zinc/83/81/08/578838108.db2.gz LJKDFBZIFQYQSU-INIZCTEOSA-N 1 1 344.419 0.811 20 30 ECEDMO NC(=O)c1cc2c([nH]c1=O)CCCC2=NNCCC[NH+]1CCOCC1 ZINC000789054291 578847188 /nfs/dbraw/zinc/84/71/88/578847188.db2.gz IFSNXQIJRBFJNJ-UHFFFAOYSA-N 1 1 347.419 0.238 20 30 ECEDMO CCOC(=O)CON=C(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cc[nH]n1 ZINC000789963676 578864317 /nfs/dbraw/zinc/86/43/17/578864317.db2.gz PSQAUYSWXNMTKC-NSHDSACASA-N 1 1 349.391 0.046 20 30 ECEDMO CCOC(=O)CON=C(C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccn[nH]1 ZINC000789963676 578864318 /nfs/dbraw/zinc/86/43/18/578864318.db2.gz PSQAUYSWXNMTKC-NSHDSACASA-N 1 1 349.391 0.046 20 30 ECEDMO CCOC(=O)CON=C(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccn[nH]1 ZINC000789963676 578864319 /nfs/dbraw/zinc/86/43/19/578864319.db2.gz PSQAUYSWXNMTKC-NSHDSACASA-N 1 1 349.391 0.046 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@H]1CCCO1 ZINC000773781961 579233508 /nfs/dbraw/zinc/23/35/08/579233508.db2.gz AHMFWBQZPCXWBU-ZIAGYGMSSA-N 1 1 339.355 0.503 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)NC1CCN(C(=O)OCC)CC1)[C@@H]1CCCO1 ZINC000775788984 579271159 /nfs/dbraw/zinc/27/11/59/579271159.db2.gz ADWLHELKWGRDJX-CABCVRRESA-N 1 1 337.420 0.494 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)[C@@H]1CCCO1 ZINC000775791903 579271350 /nfs/dbraw/zinc/27/13/50/579271350.db2.gz PAUXLUAGCRCJIT-CVEARBPZSA-N 1 1 335.448 0.666 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCCO1 ZINC000775793740 579271385 /nfs/dbraw/zinc/27/13/85/579271385.db2.gz NLFRSKIWUJBYGF-GJZGRUSLSA-N 1 1 345.399 0.334 20 30 ECEDMO C[C@@H]1CN(Cc2nc3ccccc3c(=O)n2CC#N)CC[N@H+]1CCO ZINC000778341695 579308433 /nfs/dbraw/zinc/30/84/33/579308433.db2.gz BRRKWOUHQGEJOX-CQSZACIVSA-N 1 1 341.415 0.418 20 30 ECEDMO NC(=O)CNC(=S)NN=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000779778132 579320581 /nfs/dbraw/zinc/32/05/81/579320581.db2.gz ZEGDZSBSPYWOTD-UHFFFAOYSA-N 1 1 325.360 0.340 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000744366383 579808844 /nfs/dbraw/zinc/80/88/44/579808844.db2.gz PXEALJICRPAHBH-UHFFFAOYSA-N 1 1 328.416 0.699 20 30 ECEDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746353722 579836654 /nfs/dbraw/zinc/83/66/54/579836654.db2.gz KFYCZUTZQTXCNG-ZDUSSCGKSA-N 1 1 332.408 0.726 20 30 ECEDMO C#CCO[C@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000837845320 588962988 /nfs/dbraw/zinc/96/29/88/588962988.db2.gz MENDNLMFJBCMRA-MRXNPFEDSA-N 1 1 344.411 0.912 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867274837 589001595 /nfs/dbraw/zinc/00/15/95/589001595.db2.gz XKRDTMNQIKYBRC-UHFFFAOYSA-N 1 1 342.440 0.859 20 30 ECEDMO CN(CCCNS(=O)(=O)c1cc(F)cc(C#N)c1)CC[NH+](C)C ZINC000867274837 589001598 /nfs/dbraw/zinc/00/15/98/589001598.db2.gz XKRDTMNQIKYBRC-UHFFFAOYSA-N 1 1 342.440 0.859 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000867310704 589041723 /nfs/dbraw/zinc/04/17/23/589041723.db2.gz AJOFFFFGCAWEII-NRFANRHFSA-N 1 1 343.474 0.933 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898592086 586434132 /nfs/dbraw/zinc/43/41/32/586434132.db2.gz IUQLIUMBYBWCRY-UHFFFAOYSA-N 1 1 334.464 0.889 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000899115568 586471316 /nfs/dbraw/zinc/47/13/16/586471316.db2.gz RGDUTFKMVVCVIP-KRWDZBQOSA-N 1 1 328.412 0.874 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000899115568 586471318 /nfs/dbraw/zinc/47/13/18/586471318.db2.gz RGDUTFKMVVCVIP-KRWDZBQOSA-N 1 1 328.412 0.874 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000843247946 589056009 /nfs/dbraw/zinc/05/60/09/589056009.db2.gz DKFWHLFIXCEMRH-DLBZAZTESA-N 1 1 347.459 0.429 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000843251194 589056454 /nfs/dbraw/zinc/05/64/54/589056454.db2.gz UKALNJAHLUDBLE-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)c2[nH]c3ccccc3c2C#N)CC1 ZINC000900685502 586656170 /nfs/dbraw/zinc/65/61/70/586656170.db2.gz CRPHOKOHDPRTGU-UHFFFAOYSA-N 1 1 339.399 0.933 20 30 ECEDMO C#Cc1ccc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000900966803 586680034 /nfs/dbraw/zinc/68/00/34/586680034.db2.gz HWXWNCWSEIRFFW-MRXNPFEDSA-N 1 1 334.441 0.859 20 30 ECEDMO C#Cc1ccc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000900966797 586680200 /nfs/dbraw/zinc/68/02/00/586680200.db2.gz HWXWNCWSEIRFFW-INIZCTEOSA-N 1 1 334.441 0.859 20 30 ECEDMO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(C#CCO)c1 ZINC000901140021 586697582 /nfs/dbraw/zinc/69/75/82/586697582.db2.gz QROWKZWDWNFERD-GOSISDBHSA-N 1 1 330.428 0.997 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCCCC[NH+]2CCNCC2)nc1 ZINC000903520680 586782336 /nfs/dbraw/zinc/78/23/36/586782336.db2.gz YNNIKIQRXYZLLB-UHFFFAOYSA-N 1 1 337.449 0.307 20 30 ECEDMO COCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)cc1OC ZINC000903576686 586792836 /nfs/dbraw/zinc/79/28/36/586792836.db2.gz VSYWINBLRDZDCM-ZDUSSCGKSA-N 1 1 339.417 0.566 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000838622712 586818398 /nfs/dbraw/zinc/81/83/98/586818398.db2.gz YWRQYXZKLRVBGQ-GOEBONIOSA-N 1 1 330.432 0.898 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000838622358 586818767 /nfs/dbraw/zinc/81/87/67/586818767.db2.gz GRCUWXRMNKVONC-KRWDZBQOSA-N 1 1 344.459 0.940 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000839529533 586863742 /nfs/dbraw/zinc/86/37/42/586863742.db2.gz XRFZFGFFRRHVIM-MRXNPFEDSA-N 1 1 335.448 0.429 20 30 ECEDMO C#C[C@@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@H]1CCCO1 ZINC000775346972 586917045 /nfs/dbraw/zinc/91/70/45/586917045.db2.gz KQBOKAAPISLMHJ-TZMCWYRMSA-N 1 1 327.388 0.945 20 30 ECEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905890096 586920068 /nfs/dbraw/zinc/92/00/68/586920068.db2.gz QNXAAKBEPSQOPU-OTWHNJEPSA-N 1 1 345.443 0.771 20 30 ECEDMO C[C@H](C#N)OCC[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000801912619 587005880 /nfs/dbraw/zinc/00/58/80/587005880.db2.gz XONWHYWNUZUCTJ-CYBMUJFWSA-N 1 1 347.444 0.802 20 30 ECEDMO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c(F)c1 ZINC000802565971 587021883 /nfs/dbraw/zinc/02/18/83/587021883.db2.gz SUWADEJWXHVMQY-MRXNPFEDSA-N 1 1 337.326 0.067 20 30 ECEDMO C=CCN1CCN(C[N@H+]2C[C@H](OC)C[C@H]2CC(=O)OCC)C1=O ZINC000840047768 587085513 /nfs/dbraw/zinc/08/55/13/587085513.db2.gz MRXCKCVALWKYKH-UONOGXRCSA-N 1 1 325.409 0.910 20 30 ECEDMO C=CCN1CCN(C[N@@H+]2C[C@H](OC)C[C@H]2CC(=O)OCC)C1=O ZINC000840047768 587085514 /nfs/dbraw/zinc/08/55/14/587085514.db2.gz MRXCKCVALWKYKH-UONOGXRCSA-N 1 1 325.409 0.910 20 30 ECEDMO CC1(C)CN(C(=O)NCCNc2ncccc2C#N)CC[N@H+]1CCO ZINC000806535812 587100275 /nfs/dbraw/zinc/10/02/75/587100275.db2.gz YBLVSXODGOAKSH-UHFFFAOYSA-N 1 1 346.435 0.463 20 30 ECEDMO CCCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@@H+](C)C1 ZINC000843992175 589086065 /nfs/dbraw/zinc/08/60/65/589086065.db2.gz PFBKBHWQRRVQCI-PHODEOQFSA-N 1 1 334.420 0.846 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC000807364033 587125911 /nfs/dbraw/zinc/12/59/11/587125911.db2.gz YKIMTDCPACVXLT-AQBKWJQSSA-N 1 1 333.432 0.415 20 30 ECEDMO N#CCOc1cccc(CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000808160379 587146565 /nfs/dbraw/zinc/14/65/65/587146565.db2.gz KRYNHZLQOSLIMX-HZPDHXFCSA-N 1 1 329.400 0.799 20 30 ECEDMO N#CCOc1ccc(CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000808160879 587146659 /nfs/dbraw/zinc/14/66/59/587146659.db2.gz YQGMCDJGOYCTEV-HZPDHXFCSA-N 1 1 329.400 0.799 20 30 ECEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000812038496 587230720 /nfs/dbraw/zinc/23/07/20/587230720.db2.gz PUIHQCVXCYLBJL-VCHHOEMESA-N 1 1 337.424 0.541 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000813853998 587263177 /nfs/dbraw/zinc/26/31/77/587263177.db2.gz PFFMMZDRDBLWNZ-UHFFFAOYSA-N 1 1 331.416 0.767 20 30 ECEDMO CN(CCCNC(=O)C#Cc1ccc2c(c1)OCO2)CC[NH+](C)C ZINC000813853998 587263179 /nfs/dbraw/zinc/26/31/79/587263179.db2.gz PFFMMZDRDBLWNZ-UHFFFAOYSA-N 1 1 331.416 0.767 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCc3nnc(C4CC4)n3C2)CC1 ZINC000815186028 587284180 /nfs/dbraw/zinc/28/41/80/587284180.db2.gz OOPJRKKCRATHAB-HNNXBMFYSA-N 1 1 327.432 0.885 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@@H]1CCCO1 ZINC000815574747 587293958 /nfs/dbraw/zinc/29/39/58/587293958.db2.gz BONNMZXQKOEDKT-KGLIPLIRSA-N 1 1 326.356 0.878 20 30 ECEDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)C2)C1 ZINC000815831050 587300135 /nfs/dbraw/zinc/30/01/35/587300135.db2.gz WQEOXULLGWORKA-MRXNPFEDSA-N 1 1 330.392 0.289 20 30 ECEDMO N#Cc1ccc([C@H](O)CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000819003256 587464117 /nfs/dbraw/zinc/46/41/17/587464117.db2.gz CNTGEUIPBONTPH-DLBZAZTESA-N 1 1 330.432 0.769 20 30 ECEDMO N#Cc1ccc([C@H](O)CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000819003256 587464118 /nfs/dbraw/zinc/46/41/18/587464118.db2.gz CNTGEUIPBONTPH-DLBZAZTESA-N 1 1 330.432 0.769 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C1CCOCC1 ZINC000823167761 587707110 /nfs/dbraw/zinc/70/71/10/587707110.db2.gz HHYFBJLHSMQGCZ-HOCLYGCPSA-N 1 1 337.464 0.901 20 30 ECEDMO O=C(C#Cc1cccs1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000825981161 587977587 /nfs/dbraw/zinc/97/75/87/587977587.db2.gz QCYGJVIVTBELKQ-HNNXBMFYSA-N 1 1 333.457 0.622 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(C#N)ccc2F)CC1 ZINC000827082494 588098680 /nfs/dbraw/zinc/09/86/80/588098680.db2.gz LHWNWAWUGKZMOV-UHFFFAOYSA-N 1 1 332.379 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000828744358 588202141 /nfs/dbraw/zinc/20/21/41/588202141.db2.gz ACOABMSGYZWPOF-HNNXBMFYSA-N 1 1 347.440 0.316 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000828744358 588202142 /nfs/dbraw/zinc/20/21/42/588202142.db2.gz ACOABMSGYZWPOF-HNNXBMFYSA-N 1 1 347.440 0.316 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCc2cccc(S(N)(=O)=O)c2)C1 ZINC000829582612 588331063 /nfs/dbraw/zinc/33/10/63/588331063.db2.gz NXZIMQIPRYVNSV-HNNXBMFYSA-N 1 1 349.456 0.480 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCc2cccc(S(N)(=O)=O)c2)C1 ZINC000829582612 588331064 /nfs/dbraw/zinc/33/10/64/588331064.db2.gz NXZIMQIPRYVNSV-HNNXBMFYSA-N 1 1 349.456 0.480 20 30 ECEDMO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829987768 588352470 /nfs/dbraw/zinc/35/24/70/588352470.db2.gz IDVKNRMZOXNDDM-CTXBLAANSA-N 1 1 339.417 0.317 20 30 ECEDMO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365044 589109470 /nfs/dbraw/zinc/10/94/70/589109470.db2.gz JCNSIFZPAYDBCG-DOMZBBRYSA-N 1 1 348.403 0.384 20 30 ECEDMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365044 589109471 /nfs/dbraw/zinc/10/94/71/589109471.db2.gz JCNSIFZPAYDBCG-DOMZBBRYSA-N 1 1 348.403 0.384 20 30 ECEDMO C#CCOc1ccc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000845237300 589139675 /nfs/dbraw/zinc/13/96/75/589139675.db2.gz OCHCHHFHOUPKHY-MRXNPFEDSA-N 1 1 329.400 0.659 20 30 ECEDMO C#CCOc1ccc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000845237300 589139676 /nfs/dbraw/zinc/13/96/76/589139676.db2.gz OCHCHHFHOUPKHY-MRXNPFEDSA-N 1 1 329.400 0.659 20 30 ECEDMO C[C@@H]1CCCN(C(=O)CCNC(O)=C2N=CC=CC2=O)[C@@H]1CC[NH3+] ZINC000846696143 589219268 /nfs/dbraw/zinc/21/92/68/589219268.db2.gz XFEJNWAANNDNFU-SDGVZRARSA-N 1 1 334.420 0.879 20 30 ECEDMO C#C[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000847029195 589233167 /nfs/dbraw/zinc/23/31/67/589233167.db2.gz LRHTVAWEICLQRC-HNNXBMFYSA-N 1 1 329.400 0.909 20 30 ECEDMO C#C[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000847025002 589233356 /nfs/dbraw/zinc/23/33/56/589233356.db2.gz AYPQWDGXHNYLQL-INIZCTEOSA-N 1 1 348.491 0.391 20 30 ECEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000847029198 589233378 /nfs/dbraw/zinc/23/33/78/589233378.db2.gz LRHTVAWEICLQRC-OAHLLOKOSA-N 1 1 329.400 0.909 20 30 ECEDMO C#C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000848283890 589286531 /nfs/dbraw/zinc/28/65/31/589286531.db2.gz FOXGPOLBTXLFGC-SJORKVTESA-N 1 1 347.459 0.572 20 30 ECEDMO CCCCCCCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848929778 589315825 /nfs/dbraw/zinc/31/58/25/589315825.db2.gz IGWHVZPXRSBABQ-LSDHHAIUSA-N 1 1 325.453 0.741 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC1=C(C(=O)OCC)[C@H](c2ccco2)NC(=O)N1 ZINC000852714658 589507140 /nfs/dbraw/zinc/50/71/40/589507140.db2.gz XKSZRZZQOMJIBW-YGRLFVJLSA-N 1 1 335.360 0.587 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc1 ZINC000853964817 589566059 /nfs/dbraw/zinc/56/60/59/589566059.db2.gz BHLPQGJTUBLFQB-MRXNPFEDSA-N 1 1 328.416 0.480 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000858236188 589733997 /nfs/dbraw/zinc/73/39/97/589733997.db2.gz DBDQVTVLMVKRNM-CQSZACIVSA-N 1 1 338.452 0.267 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000859292267 589818002 /nfs/dbraw/zinc/81/80/02/589818002.db2.gz VYXMIYOIHXZXMY-KFWWJZLASA-N 1 1 331.372 0.728 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867810263 589847240 /nfs/dbraw/zinc/84/72/40/589847240.db2.gz YHCFPAAFBXQGCA-ZIAGYGMSSA-N 1 1 330.454 0.119 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC(=O)NC1CCCC1 ZINC000867955619 589865290 /nfs/dbraw/zinc/86/52/90/589865290.db2.gz DSOXICPLVLFLJX-KRWDZBQOSA-N 1 1 326.400 0.920 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868235612 589883679 /nfs/dbraw/zinc/88/36/79/589883679.db2.gz BTJKZJCXVGYPGA-DLBZAZTESA-N 1 1 327.432 0.570 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)cc1 ZINC000870094230 590000148 /nfs/dbraw/zinc/00/01/48/590000148.db2.gz CUHCXUISDIIBLJ-UHFFFAOYSA-N 1 1 328.416 0.929 20 30 ECEDMO C#CCNC(=O)CO[NH+]=C(N)[C@@H]1CCC(=O)N(CC2CCCC2)C1 ZINC000871766709 590086439 /nfs/dbraw/zinc/08/64/39/590086439.db2.gz ACPMVYCCTSUXPU-CQSZACIVSA-N 1 1 334.420 0.663 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)ccc1F ZINC000872615925 590133281 /nfs/dbraw/zinc/13/32/81/590133281.db2.gz UIJRNPTVPMNLPF-QWHCGFSZSA-N 1 1 339.392 0.527 20 30 ECEDMO N#CC1(CS(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CCCC1 ZINC000872617460 590133914 /nfs/dbraw/zinc/13/39/14/590133914.db2.gz KYOTUONVKHFKEB-UONOGXRCSA-N 1 1 327.450 0.541 20 30 ECEDMO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000872785481 590147586 /nfs/dbraw/zinc/14/75/86/590147586.db2.gz RYQAEHSWJQKPLC-QWQRMKEZSA-N 1 1 340.383 0.861 20 30 ECEDMO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000872785481 590147588 /nfs/dbraw/zinc/14/75/88/590147588.db2.gz RYQAEHSWJQKPLC-QWQRMKEZSA-N 1 1 340.383 0.861 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ncc1C#N ZINC000874173306 590224237 /nfs/dbraw/zinc/22/42/37/590224237.db2.gz FNIWQNJDYZMXFH-JSGCOSHPSA-N 1 1 327.388 0.753 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)ccc1C#N ZINC000874369206 590235342 /nfs/dbraw/zinc/23/53/42/590235342.db2.gz SXFAUTRZHDUHOP-KGLIPLIRSA-N 1 1 327.388 0.895 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)ccc1C#N ZINC000874369209 590236413 /nfs/dbraw/zinc/23/64/13/590236413.db2.gz SXFAUTRZHDUHOP-ZIAGYGMSSA-N 1 1 327.388 0.895 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3cccc(C#N)c3)CC[C@H]21 ZINC000875051319 590265537 /nfs/dbraw/zinc/26/55/37/590265537.db2.gz BLOWKYPFNIZKLP-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000875217327 590283254 /nfs/dbraw/zinc/28/32/54/590283254.db2.gz ZLRLCRXSLIBMDM-CVEARBPZSA-N 1 1 337.464 0.912 20 30 ECEDMO C=CC(C)(C)CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000875333335 590293804 /nfs/dbraw/zinc/29/38/04/590293804.db2.gz FKYGOBKECRLPMR-KGLIPLIRSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC(C)(C)CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000875333335 590293806 /nfs/dbraw/zinc/29/38/06/590293806.db2.gz FKYGOBKECRLPMR-KGLIPLIRSA-N 1 1 325.453 0.930 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000875379688 590297622 /nfs/dbraw/zinc/29/76/22/590297622.db2.gz INAJRBBJYJSVSY-HUUCEWRRSA-N 1 1 337.464 0.768 20 30 ECEDMO Cn1c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc(=O)n(C)c1=O ZINC000879584831 590326504 /nfs/dbraw/zinc/32/65/04/590326504.db2.gz KQLALZFUFRHTAC-UHFFFAOYSA-N 1 1 339.399 0.278 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000879975435 590357134 /nfs/dbraw/zinc/35/71/34/590357134.db2.gz PVDBUVPIIARTIR-FZKCQIBNSA-N 1 1 335.448 0.256 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(Cc2ncc(C(=O)OC)s2)CC1 ZINC000880272014 590380862 /nfs/dbraw/zinc/38/08/62/590380862.db2.gz OAHRSJQPMCQGJX-UHFFFAOYSA-N 1 1 335.429 0.934 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](CF)C3)CC2)o1 ZINC000880297210 590381874 /nfs/dbraw/zinc/38/18/74/590381874.db2.gz KQPNUIZTULOYCP-CYBMUJFWSA-N 1 1 335.383 0.795 20 30 ECEDMO C[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCS1(=O)=O ZINC000876669865 590396956 /nfs/dbraw/zinc/39/69/56/590396956.db2.gz AEHINMUJEUMHAS-NHYWBVRUSA-N 1 1 333.413 0.391 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(CC(=O)NCC#N)C2)O1 ZINC000880500908 590398893 /nfs/dbraw/zinc/39/88/93/590398893.db2.gz VPNAIRZJLWKZJZ-VQIMIIECSA-N 1 1 342.443 0.992 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000888884945 590458142 /nfs/dbraw/zinc/45/81/42/590458142.db2.gz GBQCMBWFWHMKKX-IRXDYDNUSA-N 1 1 336.480 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Oc1ccccc1)C(=O)OC ZINC000881818869 590476955 /nfs/dbraw/zinc/47/69/55/590476955.db2.gz UMVYETLJCCWCDR-JKSUJKDBSA-N 1 1 330.384 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Oc1ccccc1)C(=O)OC ZINC000881818869 590476957 /nfs/dbraw/zinc/47/69/57/590476957.db2.gz UMVYETLJCCWCDR-JKSUJKDBSA-N 1 1 330.384 0.821 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878783618 590542303 /nfs/dbraw/zinc/54/23/03/590542303.db2.gz APIBWPJYONUTAV-HNNXBMFYSA-N 1 1 344.415 0.424 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000127364364 590547363 /nfs/dbraw/zinc/54/73/63/590547363.db2.gz JGJODEVVFLNSOQ-UHFFFAOYSA-N 1 1 348.491 0.536 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879083179 590563468 /nfs/dbraw/zinc/56/34/68/590563468.db2.gz HYHFBIGPNHPSGM-OLZOCXBDSA-N 1 1 327.425 0.284 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879083179 590563470 /nfs/dbraw/zinc/56/34/70/590563470.db2.gz HYHFBIGPNHPSGM-OLZOCXBDSA-N 1 1 327.425 0.284 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879228937 590572911 /nfs/dbraw/zinc/57/29/11/590572911.db2.gz OMFSGESYONQTLD-CYBMUJFWSA-N 1 1 328.416 0.833 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879228937 590572914 /nfs/dbraw/zinc/57/29/14/590572914.db2.gz OMFSGESYONQTLD-CYBMUJFWSA-N 1 1 328.416 0.833 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C#N)cc3CS(N)(=O)=O)CC[C@@H]21 ZINC000882698302 590575487 /nfs/dbraw/zinc/57/54/87/590575487.db2.gz JBDKCDBDWCFLIL-HIFRSBDPSA-N 1 1 334.445 0.877 20 30 ECEDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886048916 590789147 /nfs/dbraw/zinc/78/91/47/590789147.db2.gz APTDROWTAUXBQO-ZIAGYGMSSA-N 1 1 329.466 0.692 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCCCCS(C)(=O)=O)C1 ZINC000884275978 590793256 /nfs/dbraw/zinc/79/32/56/590793256.db2.gz BPKNSPFSMZVBQJ-AWEZNQCLSA-N 1 1 329.466 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCCCS(C)(=O)=O)C1 ZINC000884275978 590793259 /nfs/dbraw/zinc/79/32/59/590793259.db2.gz BPKNSPFSMZVBQJ-AWEZNQCLSA-N 1 1 329.466 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCC2CCN(C(=O)OC)CC2)C1 ZINC000884343512 590810943 /nfs/dbraw/zinc/81/09/43/590810943.db2.gz AVYBWKHGGUDAFP-HNNXBMFYSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2CCN(C(=O)OC)CC2)C1 ZINC000884343512 590810946 /nfs/dbraw/zinc/81/09/46/590810946.db2.gz AVYBWKHGGUDAFP-HNNXBMFYSA-N 1 1 336.436 0.862 20 30 ECEDMO COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NCCCCC#N)cc1 ZINC000884630649 590878833 /nfs/dbraw/zinc/87/88/33/590878833.db2.gz BKHKNBMKWDRXKC-MRXNPFEDSA-N 1 1 344.415 0.978 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@](C)(C#N)C2)CC1=O ZINC000887677044 590990820 /nfs/dbraw/zinc/99/08/20/590990820.db2.gz PGAGDRSVNCKRFB-RKVPGOIHSA-N 1 1 348.447 0.460 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@@](C)(C#N)C2)CC1=O ZINC000887677041 590991093 /nfs/dbraw/zinc/99/10/93/590991093.db2.gz PGAGDRSVNCKRFB-DAYGRLMNSA-N 1 1 348.447 0.460 20 30 ECEDMO C#CCC1(NC(=O)NC2CC[NH+](CCN(C)C)CC2)CCOCC1 ZINC000887680063 590991400 /nfs/dbraw/zinc/99/14/00/590991400.db2.gz UAZCWAJNCVZENM-UHFFFAOYSA-N 1 1 336.480 0.884 20 30 ECEDMO N#Cc1ccc(NCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)nc1 ZINC000889760038 591084914 /nfs/dbraw/zinc/08/49/14/591084914.db2.gz AQEXIXFDKIIXQZ-LSDHHAIUSA-N 1 1 329.404 0.423 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC000890300234 591147325 /nfs/dbraw/zinc/14/73/25/591147325.db2.gz GQUZKTXJOMMQKA-UHFFFAOYSA-N 1 1 328.372 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000890363593 591150950 /nfs/dbraw/zinc/15/09/50/591150950.db2.gz QAXPOSBGFPVJMT-GJZGRUSLSA-N 1 1 333.436 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000890363593 591150952 /nfs/dbraw/zinc/15/09/52/591150952.db2.gz QAXPOSBGFPVJMT-GJZGRUSLSA-N 1 1 333.436 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC(CNC(=O)C(F)(F)F)C2)C1 ZINC000890361791 591151022 /nfs/dbraw/zinc/15/10/22/591151022.db2.gz ZUCVSUOGKAIWQI-LBPRGKRZSA-N 1 1 346.353 0.404 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC(CNC(=O)C(F)(F)F)C2)C1 ZINC000890361791 591151025 /nfs/dbraw/zinc/15/10/25/591151025.db2.gz ZUCVSUOGKAIWQI-LBPRGKRZSA-N 1 1 346.353 0.404 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(CCO)(CCO)CC2)C1 ZINC000890361181 591151099 /nfs/dbraw/zinc/15/10/99/591151099.db2.gz LIGPQVKIGHQVFJ-MRXNPFEDSA-N 1 1 337.464 0.641 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CCO)(CCO)CC2)C1 ZINC000890361181 591151101 /nfs/dbraw/zinc/15/11/01/591151101.db2.gz LIGPQVKIGHQVFJ-MRXNPFEDSA-N 1 1 337.464 0.641 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](CC(N)=O)c2ccccc2)C1 ZINC000890364245 591151924 /nfs/dbraw/zinc/15/19/24/591151924.db2.gz YGIYTYCKIMQZSU-HOTGVXAUSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CC(N)=O)c2ccccc2)C1 ZINC000890364245 591151927 /nfs/dbraw/zinc/15/19/27/591151927.db2.gz YGIYTYCKIMQZSU-HOTGVXAUSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000890369336 591153337 /nfs/dbraw/zinc/15/33/37/591153337.db2.gz SWLKFUWZULOEHQ-HZPDHXFCSA-N 1 1 330.436 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000890369336 591153341 /nfs/dbraw/zinc/15/33/41/591153341.db2.gz SWLKFUWZULOEHQ-HZPDHXFCSA-N 1 1 330.436 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCN(C(=O)OCC)CC2)C1 ZINC000890373252 591155058 /nfs/dbraw/zinc/15/50/58/591155058.db2.gz SAURMXVBEQYPLV-HNNXBMFYSA-N 1 1 336.436 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCN(C(=O)OCC)CC2)C1 ZINC000890373252 591155059 /nfs/dbraw/zinc/15/50/59/591155059.db2.gz SAURMXVBEQYPLV-HNNXBMFYSA-N 1 1 336.436 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](O)COc2ccc(F)cc2)C1 ZINC000890374848 591155075 /nfs/dbraw/zinc/15/50/75/591155075.db2.gz NAMNNVZHNAULOQ-HOTGVXAUSA-N 1 1 349.406 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](O)COc2ccc(F)cc2)C1 ZINC000890374848 591155077 /nfs/dbraw/zinc/15/50/77/591155077.db2.gz NAMNNVZHNAULOQ-HOTGVXAUSA-N 1 1 349.406 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000890376053 591155886 /nfs/dbraw/zinc/15/58/86/591155886.db2.gz ADLYKCVZNQPLQK-IAGOWNOFSA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000890376053 591155889 /nfs/dbraw/zinc/15/58/89/591155889.db2.gz ADLYKCVZNQPLQK-IAGOWNOFSA-N 1 1 334.464 0.590 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2CC1 ZINC000946586565 611355426 /nfs/dbraw/zinc/35/54/26/611355426.db2.gz MPXFFCVKCVCPMM-XHSDSOJGSA-N 1 1 343.427 0.375 20 30 ECEDMO N#CCN1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597918 611359540 /nfs/dbraw/zinc/35/95/40/611359540.db2.gz PYKMCXQGRQMVEM-VVLHAWIVSA-N 1 1 332.448 0.544 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CC(C)(C)O)CC1 ZINC000946592664 611357990 /nfs/dbraw/zinc/35/79/90/611357990.db2.gz DYOLIPIUAQBFBA-HNNXBMFYSA-N 1 1 335.448 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CC(C)(C)O)CC1 ZINC000946592664 611357991 /nfs/dbraw/zinc/35/79/91/611357991.db2.gz DYOLIPIUAQBFBA-HNNXBMFYSA-N 1 1 335.448 0.352 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1 ZINC000946595330 611358678 /nfs/dbraw/zinc/35/86/78/611358678.db2.gz SYPQYKCKLNNLPN-QXSJWSMHSA-N 1 1 335.448 0.623 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C ZINC000947984580 611369061 /nfs/dbraw/zinc/36/90/61/611369061.db2.gz IOJMQCYSBNMQRM-AAEUAGOBSA-N 1 1 341.843 0.612 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C ZINC000947984580 611369062 /nfs/dbraw/zinc/36/90/62/611369062.db2.gz IOJMQCYSBNMQRM-AAEUAGOBSA-N 1 1 341.843 0.612 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C ZINC000947983988 611369086 /nfs/dbraw/zinc/36/90/86/611369086.db2.gz FXRWNTNYIAHLMM-HIFRSBDPSA-N 1 1 335.452 0.826 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946627679 611373527 /nfs/dbraw/zinc/37/35/27/611373527.db2.gz AAYJLKSKSTZYFJ-BDXSIMOUSA-N 1 1 333.476 0.635 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4c(c3)nnn4C)CC[C@@H]2C1 ZINC000946677660 611410007 /nfs/dbraw/zinc/41/00/07/611410007.db2.gz GJNVDVGADODASO-OKILXGFUSA-N 1 1 338.415 0.781 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000946690682 611415908 /nfs/dbraw/zinc/41/59/08/611415908.db2.gz RUTMSGFLKVTESN-KRWDZBQOSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000946690682 611415911 /nfs/dbraw/zinc/41/59/11/611415911.db2.gz RUTMSGFLKVTESN-KRWDZBQOSA-N 1 1 347.459 0.616 20 30 ECEDMO N#CCN1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946689734 611415238 /nfs/dbraw/zinc/41/52/38/611415238.db2.gz HYJNPGWSESUBAT-XFHVWQCUSA-N 1 1 344.459 0.544 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](OC)c3cnn(C)c3)CC[C@@H]2C1 ZINC000946697677 611421715 /nfs/dbraw/zinc/42/17/15/611421715.db2.gz WXUMQIUSMHDJAP-UXLLHSPISA-N 1 1 330.432 0.911 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)C2)nc1 ZINC000930542927 611441834 /nfs/dbraw/zinc/44/18/34/611441834.db2.gz ZCEGEZHDWIOKFF-INMHGKMJSA-N 1 1 333.388 0.309 20 30 ECEDMO C#CC[C@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1=O ZINC000925371827 611475732 /nfs/dbraw/zinc/47/57/32/611475732.db2.gz QUTBIZKQZPDGJV-IAGOWNOFSA-N 1 1 340.427 0.746 20 30 ECEDMO C#CC[C@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1=O ZINC000925371827 611475733 /nfs/dbraw/zinc/47/57/33/611475733.db2.gz QUTBIZKQZPDGJV-IAGOWNOFSA-N 1 1 340.427 0.746 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000930991492 611494221 /nfs/dbraw/zinc/49/42/21/611494221.db2.gz FDVBBTRUDJVJRH-OAHLLOKOSA-N 1 1 339.436 0.065 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000948282803 611501214 /nfs/dbraw/zinc/50/12/14/611501214.db2.gz RLVHYKLXZDDMMN-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)NCc2ccc(NC(=O)OC)cc2)CC1 ZINC000931148028 611511092 /nfs/dbraw/zinc/51/10/92/611511092.db2.gz OTGFZXMVFBLUOI-UHFFFAOYSA-N 1 1 345.399 0.941 20 30 ECEDMO Cn1[nH]c(=O)c2c1C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2 ZINC000931200545 611518478 /nfs/dbraw/zinc/51/84/78/611518478.db2.gz YAVNPEIYUQLZLO-ZDUSSCGKSA-N 1 1 328.372 0.795 20 30 ECEDMO N#Cc1cc(F)ccc1N1CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000931548055 611548753 /nfs/dbraw/zinc/54/87/53/611548753.db2.gz GAXKMGYJHPZPAZ-SJLPKXTDSA-N 1 1 349.406 0.722 20 30 ECEDMO COC1(OC)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H]1O ZINC000931638985 611559778 /nfs/dbraw/zinc/55/97/78/611559778.db2.gz GALINMNHHVEUCX-OAHLLOKOSA-N 1 1 333.388 0.230 20 30 ECEDMO COC1(OC)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H]1O ZINC000931638985 611559780 /nfs/dbraw/zinc/55/97/80/611559780.db2.gz GALINMNHHVEUCX-OAHLLOKOSA-N 1 1 333.388 0.230 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC000947510357 611573862 /nfs/dbraw/zinc/57/38/62/611573862.db2.gz KCOWKFPMTGGNLV-KGLIPLIRSA-N 1 1 334.420 0.884 20 30 ECEDMO CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](C[C@H](O)CC#N)C2)C1 ZINC000931854446 611574329 /nfs/dbraw/zinc/57/43/29/611574329.db2.gz IGPPTCDPWXXVMP-CJNGLKHVSA-N 1 1 325.409 0.973 20 30 ECEDMO CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@@H+](C[C@H](O)CC#N)C2)C1 ZINC000931854446 611574331 /nfs/dbraw/zinc/57/43/31/611574331.db2.gz IGPPTCDPWXXVMP-CJNGLKHVSA-N 1 1 325.409 0.973 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)CC1 ZINC000948424998 611588121 /nfs/dbraw/zinc/58/81/21/611588121.db2.gz MVLSETCVFCSIII-CQSZACIVSA-N 1 1 329.466 0.521 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC000948477003 611614319 /nfs/dbraw/zinc/61/43/19/611614319.db2.gz LKHKMDBNTDRIFE-CVEARBPZSA-N 1 1 346.431 0.890 20 30 ECEDMO Cc1ccc(CNC(=O)C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1C#N ZINC000932477414 611632899 /nfs/dbraw/zinc/63/28/99/611632899.db2.gz AEZOAIIEYPKFHD-APWZRJJASA-N 1 1 340.427 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ocnc1C ZINC000949252038 608598208 /nfs/dbraw/zinc/59/82/08/608598208.db2.gz SWOVQQBWHKRCJP-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ocnc1C ZINC000949252038 608598210 /nfs/dbraw/zinc/59/82/10/608598210.db2.gz SWOVQQBWHKRCJP-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937353643 608610517 /nfs/dbraw/zinc/61/05/17/608610517.db2.gz VFIUTSJIZYKWDG-JKSUJKDBSA-N 1 1 333.432 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000937353643 608610519 /nfs/dbraw/zinc/61/05/19/608610519.db2.gz VFIUTSJIZYKWDG-JKSUJKDBSA-N 1 1 333.432 0.180 20 30 ECEDMO C=C(C)Cn1c(-c2ncon2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000909336622 608615352 /nfs/dbraw/zinc/61/53/52/608615352.db2.gz XRZSCVZGKZVPKB-ZDUSSCGKSA-N 1 1 345.407 0.815 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](C[C@H](C)O)CCO2 ZINC000949385849 608663436 /nfs/dbraw/zinc/66/34/36/608663436.db2.gz DNZOKYFSHUIAJX-IRXDYDNUSA-N 1 1 349.475 0.158 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 ZINC000949489874 608706392 /nfs/dbraw/zinc/70/63/92/608706392.db2.gz UCDSXBKHKCIVLO-OAHLLOKOSA-N 1 1 335.448 0.925 20 30 ECEDMO CC(C)(C)NC(=O)CNC(=O)CO[NH+]=C(N)CCc1ccccc1 ZINC000160731857 608706638 /nfs/dbraw/zinc/70/66/38/608706638.db2.gz AWRFCHBDSPXJMA-UHFFFAOYSA-N 1 1 334.420 0.939 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)C#CC2CC2)C1 ZINC000937400077 608712373 /nfs/dbraw/zinc/71/23/73/608712373.db2.gz ZTMGIQBZISDEDU-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)C#CC2CC2)C1 ZINC000937400077 608712374 /nfs/dbraw/zinc/71/23/74/608712374.db2.gz ZTMGIQBZISDEDU-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000948561019 611654786 /nfs/dbraw/zinc/65/47/86/611654786.db2.gz HTDOBFVKGZSNTF-UONOGXRCSA-N 1 1 331.420 0.492 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C ZINC000947796512 608787008 /nfs/dbraw/zinc/78/70/08/608787008.db2.gz NTENSAXWMZRSLR-HUUCEWRRSA-N 1 1 348.451 0.724 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cncn2C)CC1 ZINC000947230436 608820603 /nfs/dbraw/zinc/82/06/03/608820603.db2.gz QQSAMZXMGVFTAT-HNNXBMFYSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cncn2C)CC1 ZINC000947230436 608820604 /nfs/dbraw/zinc/82/06/04/608820604.db2.gz QQSAMZXMGVFTAT-HNNXBMFYSA-N 1 1 343.431 0.239 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000948590552 611663280 /nfs/dbraw/zinc/66/32/80/611663280.db2.gz MBQYICWVMOGGDU-AWEZNQCLSA-N 1 1 334.420 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC000947230846 608825858 /nfs/dbraw/zinc/82/58/58/608825858.db2.gz VEBKCJRXQXITAD-PVAVHDDUSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC000947230846 608825862 /nfs/dbraw/zinc/82/58/62/608825862.db2.gz VEBKCJRXQXITAD-PVAVHDDUSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCn1cncn1 ZINC000947205589 608920883 /nfs/dbraw/zinc/92/08/83/608920883.db2.gz SQPKVAYEPWUJQU-JSGCOSHPSA-N 1 1 327.392 0.761 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937061227 608937048 /nfs/dbraw/zinc/93/70/48/608937048.db2.gz HTFOCQIRXVYMJX-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)NCC#CCO)[C@H]1c1cnn(C)c1 ZINC000923763248 608938348 /nfs/dbraw/zinc/93/83/48/608938348.db2.gz XSEDDEVKKRJULS-RDJZCZTQSA-N 1 1 347.463 0.830 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N([C@@H]2CCC[N@H+]3CCSC[C@H]23)C1=O ZINC000929013290 608984289 /nfs/dbraw/zinc/98/42/89/608984289.db2.gz UAGZQYWYYGWOPV-YNEHKIRRSA-N 1 1 325.434 0.689 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C[C@H]1C ZINC000947761088 611679954 /nfs/dbraw/zinc/67/99/54/611679954.db2.gz FMXBVYOSKSCXOV-OLZOCXBDSA-N 1 1 330.392 0.046 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCN3C)C2)CC1 ZINC000937756049 609060688 /nfs/dbraw/zinc/06/06/88/609060688.db2.gz MLAJVGQMBWDRPZ-IRXDYDNUSA-N 1 1 346.475 0.143 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC000937287493 609109766 /nfs/dbraw/zinc/10/97/66/609109766.db2.gz IMMLRWBNAKBCSZ-VIQHNZTISA-N 1 1 347.459 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cccnc1 ZINC000948692282 611690953 /nfs/dbraw/zinc/69/09/53/611690953.db2.gz KTBMFGKHLKADEC-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cccnc1 ZINC000948692282 611690957 /nfs/dbraw/zinc/69/09/57/611690957.db2.gz KTBMFGKHLKADEC-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)[C@@H](C)C2)nn1 ZINC000947791254 611691983 /nfs/dbraw/zinc/69/19/83/611691983.db2.gz AFMNVKZTHDXQCW-GJZGRUSLSA-N 1 1 343.435 0.944 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)nc1 ZINC000937983577 609437843 /nfs/dbraw/zinc/43/78/43/609437843.db2.gz HELZAJIKTVUCFF-HNNXBMFYSA-N 1 1 337.383 0.599 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000938170097 609481070 /nfs/dbraw/zinc/48/10/70/609481070.db2.gz DYMRUNFUQQUFNT-JYJNAYRXSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000938170097 609481073 /nfs/dbraw/zinc/48/10/73/609481073.db2.gz DYMRUNFUQQUFNT-JYJNAYRXSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncc2F)C1 ZINC000938170027 609481304 /nfs/dbraw/zinc/48/13/04/609481304.db2.gz BILMNAJHBJZRCB-BBRMVZONSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncc2F)C1 ZINC000938170027 609481306 /nfs/dbraw/zinc/48/13/06/609481306.db2.gz BILMNAJHBJZRCB-BBRMVZONSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnc(C)n2C)C1 ZINC000938173793 609486375 /nfs/dbraw/zinc/48/63/75/609486375.db2.gz XJEYJYQDQIPROD-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnc(C)n2C)C1 ZINC000938173793 609486376 /nfs/dbraw/zinc/48/63/76/609486376.db2.gz XJEYJYQDQIPROD-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC000938173574 609486435 /nfs/dbraw/zinc/48/64/35/609486435.db2.gz VCLXNUUSFHPXJI-HOTGVXAUSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC000938173574 609486436 /nfs/dbraw/zinc/48/64/36/609486436.db2.gz VCLXNUUSFHPXJI-HOTGVXAUSA-N 1 1 343.431 0.157 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908002944 609634806 /nfs/dbraw/zinc/63/48/06/609634806.db2.gz YMIRVDCNTHGOLD-GJZGRUSLSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000908002944 609634807 /nfs/dbraw/zinc/63/48/07/609634807.db2.gz YMIRVDCNTHGOLD-GJZGRUSLSA-N 1 1 335.429 0.778 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC000947324704 609706814 /nfs/dbraw/zinc/70/68/14/609706814.db2.gz USBMUKZGJQVVTL-MNOVXSKESA-N 1 1 340.815 0.099 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC000947324704 609706816 /nfs/dbraw/zinc/70/68/16/609706816.db2.gz USBMUKZGJQVVTL-MNOVXSKESA-N 1 1 340.815 0.099 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(CNC(C)=O)cc2)CC1 ZINC000921439512 609716712 /nfs/dbraw/zinc/71/67/12/609716712.db2.gz BUHZATUQYCLZJT-UHFFFAOYSA-N 1 1 349.456 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)C1 ZINC000923594554 609741141 /nfs/dbraw/zinc/74/11/41/609741141.db2.gz CDZUAKYOYKBRRC-HOTGVXAUSA-N 1 1 328.416 0.480 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)C1 ZINC000923594554 609741142 /nfs/dbraw/zinc/74/11/42/609741142.db2.gz CDZUAKYOYKBRRC-HOTGVXAUSA-N 1 1 328.416 0.480 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C ZINC000947998564 609753134 /nfs/dbraw/zinc/75/31/34/609753134.db2.gz MFMPBRPLTUXNRJ-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000948850088 609769463 /nfs/dbraw/zinc/76/94/63/609769463.db2.gz WTZJMPSTLFKIQZ-LSDHHAIUSA-N 1 1 343.493 0.909 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000076748851 611714060 /nfs/dbraw/zinc/71/40/60/611714060.db2.gz LVZGGEPDTYJBEJ-KRWDZBQOSA-N 1 1 331.416 0.231 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000938613124 609900151 /nfs/dbraw/zinc/90/01/51/609900151.db2.gz QMXILMBFOXEAPY-VHDGCEQUSA-N 1 1 343.431 0.899 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000912299590 609945003 /nfs/dbraw/zinc/94/50/03/609945003.db2.gz AWNZOBHMKPEWFY-MLGOLLRUSA-N 1 1 334.445 0.723 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccnnc2)C1 ZINC000938756816 609982479 /nfs/dbraw/zinc/98/24/79/609982479.db2.gz YQOXOZXONJIZMI-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ccnnc2)C1 ZINC000938756816 609982480 /nfs/dbraw/zinc/98/24/80/609982480.db2.gz YQOXOZXONJIZMI-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO C[N@@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@H](CO)C1 ZINC000912741389 609996735 /nfs/dbraw/zinc/99/67/35/609996735.db2.gz UBAPSVJJBONYKN-HNNXBMFYSA-N 1 1 344.415 0.802 20 30 ECEDMO C[N@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@H](CO)C1 ZINC000912741389 609996737 /nfs/dbraw/zinc/99/67/37/609996737.db2.gz UBAPSVJJBONYKN-HNNXBMFYSA-N 1 1 344.415 0.802 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938878606 610008417 /nfs/dbraw/zinc/00/84/17/610008417.db2.gz OBPQXPZWCKOUJL-CQSZACIVSA-N 1 1 340.387 0.764 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000919044177 610029538 /nfs/dbraw/zinc/02/95/38/610029538.db2.gz MFTYDJIJOBMQBF-OAGGEKHMSA-N 1 1 325.453 0.807 20 30 ECEDMO CCCCCCCS(=O)(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000919314091 610039734 /nfs/dbraw/zinc/03/97/34/610039734.db2.gz VZOMMRDNCNRIKZ-UHFFFAOYSA-N 1 1 333.498 0.992 20 30 ECEDMO C=C(Br)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000069245449 610084007 /nfs/dbraw/zinc/08/40/07/610084007.db2.gz CGRQDJAHWMDMQG-UHFFFAOYSA-N 1 1 333.230 0.358 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000939762137 610120086 /nfs/dbraw/zinc/12/00/86/610120086.db2.gz MWDGDTHPRXZOAP-OAGGEKHMSA-N 1 1 346.431 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC000939268573 610141468 /nfs/dbraw/zinc/14/14/68/610141468.db2.gz ZMHQEVVSQJEJLN-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC000939268573 610141470 /nfs/dbraw/zinc/14/14/70/610141470.db2.gz ZMHQEVVSQJEJLN-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnn(C)n3)C2)nn1 ZINC000939294099 610149904 /nfs/dbraw/zinc/14/99/04/610149904.db2.gz XWGSJZXRFBOSEQ-TZMCWYRMSA-N 1 1 344.423 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000940505020 610293138 /nfs/dbraw/zinc/29/31/38/610293138.db2.gz PFEPDOMDNCPYPR-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)C1 ZINC000941426807 610301109 /nfs/dbraw/zinc/30/11/09/610301109.db2.gz HBMLTFGXLRNFTE-UHFFFAOYSA-N 1 1 329.448 0.847 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CC#N)C3)CC2)C1 ZINC000941433148 610313055 /nfs/dbraw/zinc/31/30/55/610313055.db2.gz OUNQMCLYINEDAB-MRXNPFEDSA-N 1 1 333.480 0.316 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c(C4CC4)cnn3C)CC2)C1 ZINC000941433442 610313463 /nfs/dbraw/zinc/31/34/63/610313463.db2.gz VDZZZDVDCLIALY-UHFFFAOYSA-N 1 1 329.448 0.926 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc4c([nH]3)CCOC4)CC2)C1 ZINC000941433377 610313552 /nfs/dbraw/zinc/31/35/52/610313552.db2.gz UUYUPYGAFJJBHD-UHFFFAOYSA-N 1 1 342.443 0.553 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940659399 610326746 /nfs/dbraw/zinc/32/67/46/610326746.db2.gz XSCHMDVIKJYPEE-HNNXBMFYSA-N 1 1 343.431 0.995 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940659399 610326747 /nfs/dbraw/zinc/32/67/47/610326747.db2.gz XSCHMDVIKJYPEE-HNNXBMFYSA-N 1 1 343.431 0.995 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940687813 610330760 /nfs/dbraw/zinc/33/07/60/610330760.db2.gz VQYPOIKCVDTRLP-ZIAGYGMSSA-N 1 1 329.404 0.605 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000940692649 610332732 /nfs/dbraw/zinc/33/27/32/610332732.db2.gz CMOYCZXSDZTUJY-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC000941480183 610334921 /nfs/dbraw/zinc/33/49/21/610334921.db2.gz GOZRLMDQICGITF-QGZVFWFLSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc4nonc4c3)CC2)C1 ZINC000941541099 610359437 /nfs/dbraw/zinc/35/94/37/610359437.db2.gz UXVLACKCQDPXMV-UHFFFAOYSA-N 1 1 339.399 0.688 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C ZINC000947895400 610362006 /nfs/dbraw/zinc/36/20/06/610362006.db2.gz MCRZNNYTBXTDTN-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CCc3ccc(=O)[nH]c3)CC2)C1 ZINC000941531694 610363179 /nfs/dbraw/zinc/36/31/79/610363179.db2.gz FJKNLPQKQFLGJD-UHFFFAOYSA-N 1 1 330.432 0.734 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C3CN(CC#N)C3)CC2)C1 ZINC000941532195 610363937 /nfs/dbraw/zinc/36/39/37/610363937.db2.gz RLWDJRPCEGLALV-MRXNPFEDSA-N 1 1 333.480 0.460 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3ncccc3OC)CC2)C1 ZINC000941534398 610365869 /nfs/dbraw/zinc/36/58/69/610365869.db2.gz YCYUASHJOBYPEO-UHFFFAOYSA-N 1 1 342.443 0.484 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940781826 610368955 /nfs/dbraw/zinc/36/89/55/610368955.db2.gz CVHFXRZTFSYUGI-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nccs2)C1 ZINC000942274337 610375976 /nfs/dbraw/zinc/37/59/76/610375976.db2.gz HAICYMYBYLFFBY-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nccs2)C1 ZINC000942274337 610375978 /nfs/dbraw/zinc/37/59/78/610375978.db2.gz HAICYMYBYLFFBY-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ncn(C(C)(C)C)n3)CC2)C1 ZINC000941564318 610385080 /nfs/dbraw/zinc/38/50/80/610385080.db2.gz FVVQVNADEZNQOK-UHFFFAOYSA-N 1 1 344.463 0.498 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000941592300 610388332 /nfs/dbraw/zinc/38/83/32/610388332.db2.gz GMNJELJRJUROTQ-HZPDHXFCSA-N 1 1 348.491 0.683 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc(CNC(C)=O)o3)CC2)C1 ZINC000941607943 610405659 /nfs/dbraw/zinc/40/56/59/610405659.db2.gz ZUIWBCARGKCEMV-UHFFFAOYSA-N 1 1 346.431 0.544 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC000941632592 610418477 /nfs/dbraw/zinc/41/84/77/610418477.db2.gz LEJBJTINTOFIIS-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC000942369870 610418629 /nfs/dbraw/zinc/41/86/29/610418629.db2.gz BQKUJAAUSFWPOX-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000942369811 610418656 /nfs/dbraw/zinc/41/86/56/610418656.db2.gz ZFWORKLRYDLILX-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nocc2C)C1 ZINC000942412533 610438903 /nfs/dbraw/zinc/43/89/03/610438903.db2.gz QXSIUBXWDYSYES-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nocc2C)C1 ZINC000942412533 610438906 /nfs/dbraw/zinc/43/89/06/610438906.db2.gz QXSIUBXWDYSYES-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C(C)(C)C1 ZINC000940918163 610439915 /nfs/dbraw/zinc/43/99/15/610439915.db2.gz MODDGLHVFFVYGN-GVDBMIGSSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](c3cccnc3)N(C)C)CC2)C1 ZINC000941677365 610450578 /nfs/dbraw/zinc/45/05/78/610450578.db2.gz NLLPYBIZYDUAAW-GOSISDBHSA-N 1 1 343.475 0.699 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](CC)N3CCCC3=O)CC2)C1 ZINC000941666396 610458009 /nfs/dbraw/zinc/45/80/09/610458009.db2.gz XYAWZDCIXKGMIP-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn(C)c3C3CC3)CC2)C1 ZINC000941685116 610463034 /nfs/dbraw/zinc/46/30/34/610463034.db2.gz SOEUOBGSUWMPPB-UHFFFAOYSA-N 1 1 329.448 0.926 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C(C)(C)C1 ZINC000940984609 610481465 /nfs/dbraw/zinc/48/14/65/610481465.db2.gz MDFDHQKVELTAEX-XJKSGUPXSA-N 1 1 329.448 0.770 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](C)C1 ZINC000942543035 610505965 /nfs/dbraw/zinc/50/59/65/610505965.db2.gz ODAGBBHIZBNPJO-CABCVRRESA-N 1 1 341.415 0.346 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@H](C)C1 ZINC000942581460 610524976 /nfs/dbraw/zinc/52/49/76/610524976.db2.gz HDGYBPBNMLJIGT-TZMCWYRMSA-N 1 1 326.404 0.827 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2ccon2)C1 ZINC000942695557 610570372 /nfs/dbraw/zinc/57/03/72/610570372.db2.gz HHLVMXBCJRXAPX-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2ccon2)C1 ZINC000942695557 610570375 /nfs/dbraw/zinc/57/03/75/610570375.db2.gz HHLVMXBCJRXAPX-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000941163636 610570975 /nfs/dbraw/zinc/57/09/75/610570975.db2.gz NPYSKVLWIQCSDX-ZDUSSCGKSA-N 1 1 344.419 0.824 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)CC2(C)C)cn1 ZINC000941168445 610582818 /nfs/dbraw/zinc/58/28/18/610582818.db2.gz CYSNOYFYYOOMGZ-WFASDCNBSA-N 1 1 328.416 0.767 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941226387 610610481 /nfs/dbraw/zinc/61/04/81/610610481.db2.gz OCYKBKWAZPODQV-QWHCGFSZSA-N 1 1 329.466 0.471 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000941237568 610621084 /nfs/dbraw/zinc/62/10/84/610621084.db2.gz CIVFNAUPRRVJJH-BBWFWOEESA-N 1 1 346.475 0.143 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2nc3ncc(C)cn3n2)[C@H](C)C1 ZINC000942164110 610682765 /nfs/dbraw/zinc/68/27/65/610682765.db2.gz QXNLINKKMWATMJ-KGLIPLIRSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@@H](C)C1 ZINC000942220611 610701245 /nfs/dbraw/zinc/70/12/45/610701245.db2.gz UJQINKWVSQFWOW-RDJZCZTQSA-N 1 1 345.443 0.958 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000941395497 610716068 /nfs/dbraw/zinc/71/60/68/610716068.db2.gz VLUVAXSHIHVZSW-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]2C)cn1 ZINC000944213176 610785987 /nfs/dbraw/zinc/78/59/87/610785987.db2.gz BXSNGYOWHJNNNW-CXAGYDPISA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000944910387 610835747 /nfs/dbraw/zinc/83/57/47/610835747.db2.gz XXYMXLALJCWCQO-GJZGRUSLSA-N 1 1 343.493 0.120 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000944909911 610835824 /nfs/dbraw/zinc/83/58/24/610835824.db2.gz WYMOAVUWMDQJSQ-JOYOIKCWSA-N 1 1 340.811 0.679 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000944909911 610835825 /nfs/dbraw/zinc/83/58/25/610835825.db2.gz WYMOAVUWMDQJSQ-JOYOIKCWSA-N 1 1 340.811 0.679 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](C)OC)C2)CC1 ZINC000944966054 610860423 /nfs/dbraw/zinc/86/04/23/610860423.db2.gz BWZRBMFZBDSTAG-HOTGVXAUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](C)OC)C2)CC1 ZINC000944966054 610860425 /nfs/dbraw/zinc/86/04/25/610860425.db2.gz BWZRBMFZBDSTAG-HOTGVXAUSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000944999090 610875595 /nfs/dbraw/zinc/87/55/95/610875595.db2.gz YUKUBUQQKWAVHC-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000944999090 610875597 /nfs/dbraw/zinc/87/55/97/610875597.db2.gz YUKUBUQQKWAVHC-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)c2ccoc2)C1 ZINC000944480248 610911320 /nfs/dbraw/zinc/91/13/20/610911320.db2.gz QJLXLXNZMAWQGV-HOTGVXAUSA-N 1 1 345.399 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)c2ccoc2)C1 ZINC000944480248 610911322 /nfs/dbraw/zinc/91/13/22/610911322.db2.gz QJLXLXNZMAWQGV-HOTGVXAUSA-N 1 1 345.399 0.334 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000944519470 610926232 /nfs/dbraw/zinc/92/62/32/610926232.db2.gz LBSRGGMNHOQELY-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@H](C)C1 ZINC000944621462 611018294 /nfs/dbraw/zinc/01/82/94/611018294.db2.gz WZXNCLIVJXHDMF-TZMCWYRMSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC000944100002 611131513 /nfs/dbraw/zinc/13/15/13/611131513.db2.gz KTLHJTJFJADWJK-KGLIPLIRSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC000944100002 611131514 /nfs/dbraw/zinc/13/15/14/611131514.db2.gz KTLHJTJFJADWJK-KGLIPLIRSA-N 1 1 329.404 0.228 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]2C1 ZINC000946821845 611173143 /nfs/dbraw/zinc/17/31/43/611173143.db2.gz VJHFFDZYLUZTEI-OKILXGFUSA-N 1 1 331.416 0.233 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000946119220 611235516 /nfs/dbraw/zinc/23/55/16/611235516.db2.gz HUHDGUHRWUGZGO-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CN3CCOCC3)CC[C@@H]2C1 ZINC000946894762 611236248 /nfs/dbraw/zinc/23/62/48/611236248.db2.gz GSEWACUBPCRZMS-OKZBNKHCSA-N 1 1 333.476 0.758 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CN3CCOCC3)CC[C@@H]2C1 ZINC000946894762 611236250 /nfs/dbraw/zinc/23/62/50/611236250.db2.gz GSEWACUBPCRZMS-OKZBNKHCSA-N 1 1 333.476 0.758 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000923412548 611240661 /nfs/dbraw/zinc/24/06/61/611240661.db2.gz ZSMNYGXGMFFTSI-JKSUJKDBSA-N 1 1 331.416 0.953 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000923412548 611240662 /nfs/dbraw/zinc/24/06/62/611240662.db2.gz ZSMNYGXGMFFTSI-JKSUJKDBSA-N 1 1 331.416 0.953 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)CC[C@@H]2C1 ZINC000946902428 611244178 /nfs/dbraw/zinc/24/41/78/611244178.db2.gz PERGTCFAUZIMIA-OKILXGFUSA-N 1 1 346.435 0.124 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(N3CCOCC3)ncn2)C1 ZINC000923550347 611260312 /nfs/dbraw/zinc/26/03/12/611260312.db2.gz BQNMKQZDIHLKGX-CQSZACIVSA-N 1 1 329.404 0.141 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(N3CCOCC3)ncn2)C1 ZINC000923550347 611260313 /nfs/dbraw/zinc/26/03/13/611260313.db2.gz BQNMKQZDIHLKGX-CQSZACIVSA-N 1 1 329.404 0.141 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C1 ZINC000923560071 611261181 /nfs/dbraw/zinc/26/11/81/611261181.db2.gz MSOCTDMOPFWAPB-ZIAGYGMSSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C1 ZINC000923560071 611261182 /nfs/dbraw/zinc/26/11/82/611261182.db2.gz MSOCTDMOPFWAPB-ZIAGYGMSSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cn2c(C)nc3ccccc3c2=O)C1 ZINC000923561726 611262639 /nfs/dbraw/zinc/26/26/39/611262639.db2.gz KISCVWKJHONHJF-HNNXBMFYSA-N 1 1 338.411 0.919 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c(C)nc3ccccc3c2=O)C1 ZINC000923561726 611262640 /nfs/dbraw/zinc/26/26/40/611262640.db2.gz KISCVWKJHONHJF-HNNXBMFYSA-N 1 1 338.411 0.919 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000923590154 611270349 /nfs/dbraw/zinc/27/03/49/611270349.db2.gz YZKDZPWOPRKHRB-NSHDSACASA-N 1 1 327.431 0.223 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000923590154 611270351 /nfs/dbraw/zinc/27/03/51/611270351.db2.gz YZKDZPWOPRKHRB-NSHDSACASA-N 1 1 327.431 0.223 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCNC(=O)OCC(F)(F)F)C1 ZINC000923584736 611271355 /nfs/dbraw/zinc/27/13/55/611271355.db2.gz WZDOIZSTVWBRAS-NSHDSACASA-N 1 1 335.326 0.879 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)OCC(F)(F)F)C1 ZINC000923584736 611271357 /nfs/dbraw/zinc/27/13/57/611271357.db2.gz WZDOIZSTVWBRAS-NSHDSACASA-N 1 1 335.326 0.879 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)OC)CC[C@@H]3C2)C1=O ZINC000946505789 611287554 /nfs/dbraw/zinc/28/75/54/611287554.db2.gz IZQSETIOAMPPAE-NXOAAHMSSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CCN1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000921668900 611293327 /nfs/dbraw/zinc/29/33/27/611293327.db2.gz ZIWKVRDPYUPGIR-UHFFFAOYSA-N 1 1 335.496 0.409 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000834691042 611296833 /nfs/dbraw/zinc/29/68/33/611296833.db2.gz HQISAKRAJFFYAI-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)CC[C@@H]3C2)C1=O ZINC000946521158 611298638 /nfs/dbraw/zinc/29/86/38/611298638.db2.gz JQRAINDNGAZIKD-LVQVYYBASA-N 1 1 332.448 0.937 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CCCS(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000921780544 611316615 /nfs/dbraw/zinc/31/66/15/611316615.db2.gz DVCAADDWTZHSDX-CYBMUJFWSA-N 1 1 327.450 0.303 20 30 ECEDMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)CC[C@@H]2C1 ZINC000946559355 611319526 /nfs/dbraw/zinc/31/95/26/611319526.db2.gz YZZWAGRCYRDTSP-MCIONIFRSA-N 1 1 343.431 0.805 20 30 ECEDMO N#Cc1ccccc1S(=O)(=O)NCCCCC[NH+]1CCNCC1 ZINC000923682994 611342104 /nfs/dbraw/zinc/34/21/04/611342104.db2.gz LRARBFQGXGXEHD-UHFFFAOYSA-N 1 1 336.461 0.912 20 30 ECEDMO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630732 611736595 /nfs/dbraw/zinc/73/65/95/611736595.db2.gz ZNVGJCXYRFYDHA-HNNXBMFYSA-N 1 1 331.372 0.611 20 30 ECEDMO COC(=O)CNC(=O)CC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630732 611736596 /nfs/dbraw/zinc/73/65/96/611736596.db2.gz ZNVGJCXYRFYDHA-HNNXBMFYSA-N 1 1 331.372 0.611 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C2)cn1 ZINC000947948149 611752341 /nfs/dbraw/zinc/75/23/41/611752341.db2.gz LNXIZYFRJNEDIT-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC000948955499 611767592 /nfs/dbraw/zinc/76/75/92/611767592.db2.gz WZUMUHPLXSIVJN-JKSUJKDBSA-N 1 1 326.400 0.407 20 30 ECEDMO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000948966474 611775317 /nfs/dbraw/zinc/77/53/17/611775317.db2.gz ZXDHVBABOQDCPI-LSDHHAIUSA-N 1 1 342.399 0.486 20 30 ECEDMO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000948966474 611775318 /nfs/dbraw/zinc/77/53/18/611775318.db2.gz ZXDHVBABOQDCPI-LSDHHAIUSA-N 1 1 342.399 0.486 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(C)n(C)n1 ZINC000948981364 611784147 /nfs/dbraw/zinc/78/41/47/611784147.db2.gz RULAABQJAPCAON-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(C)n(C)n1 ZINC000948981364 611784149 /nfs/dbraw/zinc/78/41/49/611784149.db2.gz RULAABQJAPCAON-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC000950645281 611814755 /nfs/dbraw/zinc/81/47/55/611814755.db2.gz QZCWXAGJLPITPY-MCIONIFRSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC000950645281 611814756 /nfs/dbraw/zinc/81/47/56/611814756.db2.gz QZCWXAGJLPITPY-MCIONIFRSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnc(C)s1 ZINC000950754958 611890073 /nfs/dbraw/zinc/89/00/73/611890073.db2.gz ACAARXIVQAADST-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnc(C)s1 ZINC000950754958 611890076 /nfs/dbraw/zinc/89/00/76/611890076.db2.gz ACAARXIVQAADST-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccncc1 ZINC000950754759 611890186 /nfs/dbraw/zinc/89/01/86/611890186.db2.gz YCZWIEPGUZKSPJ-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccncc1 ZINC000950754759 611890188 /nfs/dbraw/zinc/89/01/88/611890188.db2.gz YCZWIEPGUZKSPJ-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(CC)on1 ZINC000950755020 611890840 /nfs/dbraw/zinc/89/08/40/611890840.db2.gz BQMRZBCAHUKFFA-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(CC)on1 ZINC000950755020 611890842 /nfs/dbraw/zinc/89/08/42/611890842.db2.gz BQMRZBCAHUKFFA-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(C)nn1 ZINC000950755832 611891451 /nfs/dbraw/zinc/89/14/51/611891451.db2.gz VPPVBGWUKIAKDV-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(C)nn1 ZINC000950755832 611891452 /nfs/dbraw/zinc/89/14/52/611891452.db2.gz VPPVBGWUKIAKDV-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC000950192476 611900345 /nfs/dbraw/zinc/90/03/45/611900345.db2.gz CXBMSEDTBPCXLC-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC000950192476 611900347 /nfs/dbraw/zinc/90/03/47/611900347.db2.gz CXBMSEDTBPCXLC-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000949211316 611901158 /nfs/dbraw/zinc/90/11/58/611901158.db2.gz SYZQKWGAIIBEHX-IAQYHMDHSA-N 1 1 340.387 0.668 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000950229618 611913918 /nfs/dbraw/zinc/91/39/18/611913918.db2.gz AOMLUVVRJYWNLJ-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000949243993 611917142 /nfs/dbraw/zinc/91/71/42/611917142.db2.gz UBDFOWRYHYROLZ-SJORKVTESA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000949243993 611917143 /nfs/dbraw/zinc/91/71/43/611917143.db2.gz UBDFOWRYHYROLZ-SJORKVTESA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC000950241445 611924000 /nfs/dbraw/zinc/92/40/00/611924000.db2.gz GQZVEYZWAJQKHP-XOKHGSTOSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CCc3nnc[nH]3)CC2)C1 ZINC000949331828 611940878 /nfs/dbraw/zinc/94/08/78/611940878.db2.gz FLGYKSHKNSUARR-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO C#CCC[N@@H+]1CCOC2(CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC000949331828 611940880 /nfs/dbraw/zinc/94/08/80/611940880.db2.gz FLGYKSHKNSUARR-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC000949331828 611940881 /nfs/dbraw/zinc/94/08/81/611940881.db2.gz FLGYKSHKNSUARR-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC000949352616 611948904 /nfs/dbraw/zinc/94/89/04/611948904.db2.gz ZJZPUGMNBBWAQM-UHFFFAOYSA-N 1 1 333.432 0.181 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950861147 611950335 /nfs/dbraw/zinc/95/03/35/611950335.db2.gz AHKMBRKPLAWCCP-KBPBESRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC000949378868 611957367 /nfs/dbraw/zinc/95/73/67/611957367.db2.gz BIIPGAKIVYLQAU-OAHLLOKOSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC000949391719 611962229 /nfs/dbraw/zinc/96/22/29/611962229.db2.gz SWWDQRXHNFPWHQ-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC000949412643 611969740 /nfs/dbraw/zinc/96/97/40/611969740.db2.gz ZXOHIJNGIJLBIZ-UHFFFAOYSA-N 1 1 344.459 0.988 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950321320 611970094 /nfs/dbraw/zinc/97/00/94/611970094.db2.gz ZOFXKWQYPVYNFP-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1csnc1C ZINC000949494209 612005527 /nfs/dbraw/zinc/00/55/27/612005527.db2.gz IPBXRDBSQYKSBN-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1csnc1C ZINC000949494209 612005529 /nfs/dbraw/zinc/00/55/29/612005529.db2.gz IPBXRDBSQYKSBN-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000951030095 612012594 /nfs/dbraw/zinc/01/25/94/612012594.db2.gz VDXBKCPVGDFGGL-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000951030095 612012597 /nfs/dbraw/zinc/01/25/97/612012597.db2.gz VDXBKCPVGDFGGL-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000949513195 612016510 /nfs/dbraw/zinc/01/65/10/612016510.db2.gz BDPAQVATKKSMGA-ZNEHSRBWSA-N 1 1 343.431 0.803 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950481641 612035119 /nfs/dbraw/zinc/03/51/19/612035119.db2.gz DRSHPANKKYCSIS-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccncc2)C1 ZINC000951223362 612087665 /nfs/dbraw/zinc/08/76/65/612087665.db2.gz FLSJCXCQRSEDEZ-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccncc2)C1 ZINC000951223362 612087667 /nfs/dbraw/zinc/08/76/67/612087667.db2.gz FLSJCXCQRSEDEZ-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccon2)C1 ZINC000951223623 612088593 /nfs/dbraw/zinc/08/85/93/612088593.db2.gz MBZVSTLJWDSUPJ-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccon2)C1 ZINC000951223623 612088596 /nfs/dbraw/zinc/08/85/96/612088596.db2.gz MBZVSTLJWDSUPJ-HIFRSBDPSA-N 1 1 330.388 0.493 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000952014352 612177347 /nfs/dbraw/zinc/17/73/47/612177347.db2.gz KCCFPASIIBDRSW-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000953138291 612178509 /nfs/dbraw/zinc/17/85/09/612178509.db2.gz UZJGNXCULKKGLX-BEFAXECRSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000953138291 612178512 /nfs/dbraw/zinc/17/85/12/612178512.db2.gz UZJGNXCULKKGLX-BEFAXECRSA-N 1 1 349.475 0.980 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1 ZINC000953167251 612189912 /nfs/dbraw/zinc/18/99/12/612189912.db2.gz JLZBDMZLFRPIGG-QFBILLFUSA-N 1 1 329.444 0.803 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000951385939 612198725 /nfs/dbraw/zinc/19/87/25/612198725.db2.gz PYGIEYAXDHYPOX-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000955119652 612280976 /nfs/dbraw/zinc/28/09/76/612280976.db2.gz AZAXXAXBDNIKEI-GFCCVEGCSA-N 1 1 338.371 0.710 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000952228657 612302370 /nfs/dbraw/zinc/30/23/70/612302370.db2.gz REOWJRLXOYOICN-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2ncc[nH]2)CC1 ZINC000953917874 612442137 /nfs/dbraw/zinc/44/21/37/612442137.db2.gz CZYLMTRXSLEZFV-HNNXBMFYSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2ncc[nH]2)CC1 ZINC000953917874 612442140 /nfs/dbraw/zinc/44/21/40/612442140.db2.gz CZYLMTRXSLEZFV-HNNXBMFYSA-N 1 1 343.431 0.570 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000955341487 612464227 /nfs/dbraw/zinc/46/42/27/612464227.db2.gz QJLDKKAQFJALAA-UAGQMJEPSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC(F)(F)F)C1 ZINC000954631590 612470624 /nfs/dbraw/zinc/47/06/24/612470624.db2.gz ZNBRSVQCQKSXLF-LBPRGKRZSA-N 1 1 331.338 0.706 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC(F)(F)F)C1 ZINC000954631590 612470625 /nfs/dbraw/zinc/47/06/25/612470625.db2.gz ZNBRSVQCQKSXLF-LBPRGKRZSA-N 1 1 331.338 0.706 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000956776753 612517253 /nfs/dbraw/zinc/51/72/53/612517253.db2.gz OWAUXEJBVDCYSH-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC000955949592 612522372 /nfs/dbraw/zinc/52/23/72/612522372.db2.gz AXSWSPFUIIIAME-KBPBESRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000953996453 612534035 /nfs/dbraw/zinc/53/40/35/612534035.db2.gz SVMSQUZBNQSMSM-JSGCOSHPSA-N 1 1 343.431 0.899 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000954707689 612576481 /nfs/dbraw/zinc/57/64/81/612576481.db2.gz YLZRVGPPNCBRMN-PMPSAXMXSA-N 1 1 335.448 0.731 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000952685927 612599735 /nfs/dbraw/zinc/59/97/35/612599735.db2.gz ILHUCIFSJIJTLA-BBWFWOEESA-N 1 1 345.443 0.322 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000952685927 612599739 /nfs/dbraw/zinc/59/97/39/612599739.db2.gz ILHUCIFSJIJTLA-BBWFWOEESA-N 1 1 345.443 0.322 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956842439 612616516 /nfs/dbraw/zinc/61/65/16/612616516.db2.gz GLQNFVWQMZXICS-SJKOYZFVSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cccnn2)C1 ZINC000951798238 612631370 /nfs/dbraw/zinc/63/13/70/612631370.db2.gz UXNNYMOHABCUIA-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cccnn2)C1 ZINC000951798238 612631375 /nfs/dbraw/zinc/63/13/75/612631375.db2.gz UXNNYMOHABCUIA-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC000951814603 612655530 /nfs/dbraw/zinc/65/55/30/612655530.db2.gz OZQXUNSCVKLTPW-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC000951814603 612655532 /nfs/dbraw/zinc/65/55/32/612655532.db2.gz OZQXUNSCVKLTPW-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2cnco2)CC1 ZINC000954107415 612670416 /nfs/dbraw/zinc/67/04/16/612670416.db2.gz KJJXLOUCCYSBSM-HNNXBMFYSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2cnco2)CC1 ZINC000954107415 612670419 /nfs/dbraw/zinc/67/04/19/612670419.db2.gz KJJXLOUCCYSBSM-HNNXBMFYSA-N 1 1 344.415 0.835 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000956101640 612707486 /nfs/dbraw/zinc/70/74/86/612707486.db2.gz DZNOMSNSWSORAM-AWEZNQCLSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c(C)ccn2C)C1 ZINC000954150381 612714310 /nfs/dbraw/zinc/71/43/10/612714310.db2.gz XQQURUSZURRGHC-INIZCTEOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c(C)ccn2C)C1 ZINC000954150381 612714312 /nfs/dbraw/zinc/71/43/12/612714312.db2.gz XQQURUSZURRGHC-INIZCTEOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2coc(OC)n2)C1 ZINC000954857993 612748959 /nfs/dbraw/zinc/74/89/59/612748959.db2.gz DDLJZUQYKPKUGI-AWEZNQCLSA-N 1 1 346.387 0.064 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2coc(OC)n2)C1 ZINC000954857993 612748960 /nfs/dbraw/zinc/74/89/60/612748960.db2.gz DDLJZUQYKPKUGI-AWEZNQCLSA-N 1 1 346.387 0.064 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC000954912250 612781852 /nfs/dbraw/zinc/78/18/52/612781852.db2.gz GRFXVJGVIVQPRX-XJKSGUPXSA-N 1 1 340.427 0.543 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000954317423 612845899 /nfs/dbraw/zinc/84/58/99/612845899.db2.gz JWYPGHYYPGDMGO-AWEZNQCLSA-N 1 1 326.400 0.297 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000955083822 612890844 /nfs/dbraw/zinc/89/08/44/612890844.db2.gz ZHNFAWIKEVPBRK-DIECFANBSA-N 1 1 349.475 0.977 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000954405264 612894484 /nfs/dbraw/zinc/89/44/84/612894484.db2.gz ZGBQFYJGGWPGHB-OIISXLGYSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000954426775 612905172 /nfs/dbraw/zinc/90/51/72/612905172.db2.gz ZBBPSVKCANNDIU-QAPCUYQASA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000954426775 612905174 /nfs/dbraw/zinc/90/51/74/612905174.db2.gz ZBBPSVKCANNDIU-QAPCUYQASA-N 1 1 337.464 0.979 20 30 ECEDMO Cc1nc(C#N)cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164749347 720803494 /nfs/dbraw/zinc/80/34/94/720803494.db2.gz UGUNEXJOARRVDM-HUUCEWRRSA-N 1 1 337.387 0.789 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C)nc(C#N)n3)CC[C@@H]2C1 ZINC001164858905 720860434 /nfs/dbraw/zinc/86/04/34/720860434.db2.gz SRQBKSSHOBMSCY-CABCVRRESA-N 1 1 331.420 0.830 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001039472672 735343087 /nfs/dbraw/zinc/34/30/87/735343087.db2.gz FNWBLHQBWLOUKH-HZSPNIEDSA-N 1 1 327.450 0.320 20 30 ECEDMO C[C@H](CNc1ncc(C#N)cc1F)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104539331 738444460 /nfs/dbraw/zinc/44/44/60/738444460.db2.gz YNKWMITZQZNKFI-RISCZKNCSA-N 1 1 335.383 0.682 20 30 ECEDMO C[C@H](CNc1ncc(C#N)cc1F)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104539331 738444465 /nfs/dbraw/zinc/44/44/65/738444465.db2.gz YNKWMITZQZNKFI-RISCZKNCSA-N 1 1 335.383 0.682 20 30 ECEDMO N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC000969138452 731515362 /nfs/dbraw/zinc/51/53/62/731515362.db2.gz VPBIQCNMLYBNQT-MRXNPFEDSA-N 1 1 347.440 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1 ZINC000969184929 731568147 /nfs/dbraw/zinc/56/81/47/731568147.db2.gz KLOVXBLZHCVLHE-BBWFWOEESA-N 1 1 340.427 0.928 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1 ZINC000969184929 731568151 /nfs/dbraw/zinc/56/81/51/731568151.db2.gz KLOVXBLZHCVLHE-BBWFWOEESA-N 1 1 340.427 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@H](CC)C(N)=O)C3)C2)cn1 ZINC001041795184 782225058 /nfs/dbraw/zinc/22/50/58/782225058.db2.gz ZORPOVLLGFZPBS-APWZRJJASA-N 1 1 340.427 0.865 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC000969251765 731645420 /nfs/dbraw/zinc/64/54/20/731645420.db2.gz KALGYXKUAPJVNE-SMDDNHRTSA-N 1 1 345.403 0.019 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C)on3)C2)C1=O ZINC000969263209 731656671 /nfs/dbraw/zinc/65/66/71/731656671.db2.gz GOAFDYSTRYOJHC-IUODEOHRSA-N 1 1 332.404 0.820 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC001112474223 731675953 /nfs/dbraw/zinc/67/59/53/731675953.db2.gz PNYDCNPTSKCRFM-HIFRSBDPSA-N 1 1 343.431 0.706 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cccn3C)C2)C1=O ZINC000969320289 731716808 /nfs/dbraw/zinc/71/68/08/731716808.db2.gz TXAMYVVNWCFTBU-CJNGLKHVSA-N 1 1 330.432 0.862 20 30 ECEDMO CC1(C)C[N@@H+](CCN2CCCC2=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973011224 738538310 /nfs/dbraw/zinc/53/83/10/738538310.db2.gz QBBZLTRUOONGPL-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001041808241 782244389 /nfs/dbraw/zinc/24/43/89/782244389.db2.gz BRFWDGJFLXMWBI-WQVCFCJDSA-N 1 1 329.404 0.225 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001041808241 782244397 /nfs/dbraw/zinc/24/43/97/782244397.db2.gz BRFWDGJFLXMWBI-WQVCFCJDSA-N 1 1 329.404 0.225 20 30 ECEDMO Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001041808214 782244513 /nfs/dbraw/zinc/24/45/13/782244513.db2.gz AIUPGHKFSPMOKO-VMGRFDJRSA-N 1 1 343.431 0.533 20 30 ECEDMO Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001041808214 782244522 /nfs/dbraw/zinc/24/45/22/782244522.db2.gz AIUPGHKFSPMOKO-VMGRFDJRSA-N 1 1 343.431 0.533 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001041805223 782238014 /nfs/dbraw/zinc/23/80/14/782238014.db2.gz IHOIIZJUDKWEOD-IBGZPJMESA-N 1 1 325.412 0.620 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccc(C#N)nc1)C(=O)Cc1c[nH]cn1 ZINC001125299402 731913629 /nfs/dbraw/zinc/91/36/29/731913629.db2.gz NENPZVDUFHGETD-HNNXBMFYSA-N 1 1 328.376 0.175 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1COCCN1C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969517687 731937115 /nfs/dbraw/zinc/93/71/15/731937115.db2.gz NAWKICYGDUDTRG-KDOFPFPSSA-N 1 1 342.443 0.825 20 30 ECEDMO COCCC(=O)N1CC[C@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001111963865 738557553 /nfs/dbraw/zinc/55/75/53/738557553.db2.gz YOFPNDRCURLFJV-HNNXBMFYSA-N 1 1 344.419 0.108 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041812234 782253703 /nfs/dbraw/zinc/25/37/03/782253703.db2.gz WJSKPZXRRLATCB-AEFFLSMTSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC000970016550 732622840 /nfs/dbraw/zinc/62/28/40/732622840.db2.gz BFUFVTUXLOPXLJ-OIISXLGYSA-N 1 1 345.447 0.970 20 30 ECEDMO C#CCN1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083193996 732649375 /nfs/dbraw/zinc/64/93/75/732649375.db2.gz QMOMKSMUFNSALN-DLBZAZTESA-N 1 1 344.415 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000973072473 738630276 /nfs/dbraw/zinc/63/02/76/738630276.db2.gz JTZBYTKPKDDFSP-YDHLFZDLSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000973072473 738630280 /nfs/dbraw/zinc/63/02/80/738630280.db2.gz JTZBYTKPKDDFSP-YDHLFZDLSA-N 1 1 329.404 0.193 20 30 ECEDMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078079665 782270856 /nfs/dbraw/zinc/27/08/56/782270856.db2.gz DVIYAWHLYOHYQN-IAGOWNOFSA-N 1 1 339.399 0.494 20 30 ECEDMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078079665 782270864 /nfs/dbraw/zinc/27/08/64/782270864.db2.gz DVIYAWHLYOHYQN-IAGOWNOFSA-N 1 1 339.399 0.494 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(=O)cc3OC)[C@H]2C1 ZINC001083195458 732868000 /nfs/dbraw/zinc/86/80/00/732868000.db2.gz VTZSIXUXRLEPTO-DZGCQCFKSA-N 1 1 333.388 0.897 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CNc2ccc(C#N)nn2)C(C)(C)C)C1 ZINC001125828177 738668807 /nfs/dbraw/zinc/66/88/07/738668807.db2.gz NSBZTMSONOIQGP-UONOGXRCSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CNc2ccc(C#N)nn2)C(C)(C)C)C1 ZINC001125828177 738668809 /nfs/dbraw/zinc/66/88/09/738668809.db2.gz NSBZTMSONOIQGP-UONOGXRCSA-N 1 1 346.435 0.622 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2ncoc2-c2ccon2)CC1 ZINC001098534872 733106806 /nfs/dbraw/zinc/10/68/06/733106806.db2.gz LBUZUCJXJGTOFP-UHFFFAOYSA-N 1 1 344.371 0.862 20 30 ECEDMO CS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001125360370 733172337 /nfs/dbraw/zinc/17/23/37/733172337.db2.gz CQDZAYSFJIKUPJ-UHFFFAOYSA-N 1 1 336.373 0.402 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC000970206320 733200791 /nfs/dbraw/zinc/20/07/91/733200791.db2.gz VFOKDIMXQWZRSE-ZYHUDNBSSA-N 1 1 330.396 0.456 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000970265354 733274790 /nfs/dbraw/zinc/27/47/90/733274790.db2.gz PJYBCFALILUCFZ-ABAIWWIYSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970268737 733282256 /nfs/dbraw/zinc/28/22/56/733282256.db2.gz OHMWHPQXMMMPDJ-WBMJQRKESA-N 1 1 326.400 0.631 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCN(C)C1=O)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970294285 733324184 /nfs/dbraw/zinc/32/41/84/733324184.db2.gz YUXJJEUYXZOVMO-SUMWQHHRSA-N 1 1 340.427 0.973 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970353929 733403821 /nfs/dbraw/zinc/40/38/21/733403821.db2.gz ISGLBARFFYVYTE-MEBBXXQBSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970354253 733404241 /nfs/dbraw/zinc/40/42/41/733404241.db2.gz OWDVNBZAQXPEPX-MLGOLLRUSA-N 1 1 344.390 0.295 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCC3)C2)c1 ZINC000970398462 733464481 /nfs/dbraw/zinc/46/44/81/733464481.db2.gz KICDWWORJPITMQ-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC000970400893 733471991 /nfs/dbraw/zinc/47/19/91/733471991.db2.gz HPKZGAPORNBQAU-STQMWFEESA-N 1 1 340.427 0.780 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001078130441 782348177 /nfs/dbraw/zinc/34/81/77/782348177.db2.gz CNHUNUOQPUSUJG-GJZGRUSLSA-N 1 1 338.452 0.660 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1cnc(C#N)cn1 ZINC001104268919 733535358 /nfs/dbraw/zinc/53/53/58/733535358.db2.gz VTHCKRMJXVERFC-OUCADQQQSA-N 1 1 332.408 0.232 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1cnc(C#N)cn1 ZINC001104268919 733535361 /nfs/dbraw/zinc/53/53/61/733535361.db2.gz VTHCKRMJXVERFC-OUCADQQQSA-N 1 1 332.408 0.232 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC000970715327 733865143 /nfs/dbraw/zinc/86/51/43/733865143.db2.gz ZJNPHOAVMVDRPO-LBPRGKRZSA-N 1 1 326.404 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCCC3)C2)cn1 ZINC000970752925 733912850 /nfs/dbraw/zinc/91/28/50/733912850.db2.gz DEFBMICVWGTUCP-CQSZACIVSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC000970763492 733925932 /nfs/dbraw/zinc/92/59/32/733925932.db2.gz LQUFXENUVZVNGV-SUMWQHHRSA-N 1 1 340.427 0.734 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1CCNCC#N ZINC001104289983 733953057 /nfs/dbraw/zinc/95/30/57/733953057.db2.gz VWUNBDZDQBGXJZ-OAGGEKHMSA-N 1 1 332.452 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnn(CC)c2)C1 ZINC000973110504 738772568 /nfs/dbraw/zinc/77/25/68/738772568.db2.gz JUBNESXISWJBBH-JYJNAYRXSA-N 1 1 343.431 0.378 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnn(CC)c2)C1 ZINC000973110504 738772570 /nfs/dbraw/zinc/77/25/70/738772570.db2.gz JUBNESXISWJBBH-JYJNAYRXSA-N 1 1 343.431 0.378 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccn(C)n3)C2)C1=O ZINC000970882095 734039598 /nfs/dbraw/zinc/03/95/98/734039598.db2.gz DPNRQESOZAXUDU-DOMZBBRYSA-N 1 1 331.420 0.257 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccc(C)cc3=O)[C@H]2C1 ZINC001083210080 734178474 /nfs/dbraw/zinc/17/84/74/734178474.db2.gz KEBBBHWJYFUOBG-JKSUJKDBSA-N 1 1 331.416 0.644 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CNc3ccc(C#N)nn3)CC2)C1 ZINC001067477267 734241086 /nfs/dbraw/zinc/24/10/86/734241086.db2.gz XPNWVMPDZLCABN-CYBMUJFWSA-N 1 1 344.419 0.065 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001087135927 734244561 /nfs/dbraw/zinc/24/45/61/734244561.db2.gz FCGDZXINYIWCKM-BZPMIXESSA-N 1 1 331.424 0.884 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2nc(C)ccc2C#N)CCO1 ZINC001104322788 734300952 /nfs/dbraw/zinc/30/09/52/734300952.db2.gz BPACEDYNLICDGO-INIZCTEOSA-N 1 1 345.447 0.925 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ncccc2C#N)CCO1 ZINC001104323641 734303552 /nfs/dbraw/zinc/30/35/52/734303552.db2.gz VHWMDPJCHMYRIW-OAHLLOKOSA-N 1 1 331.420 0.616 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2ccc3nnn(C)c3c2)CC1 ZINC001098547761 734306713 /nfs/dbraw/zinc/30/67/13/734306713.db2.gz GMIOLTNCZFFWEQ-UHFFFAOYSA-N 1 1 341.415 0.500 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cc3c(cn2)OCCC3)CC1 ZINC001098548078 734315816 /nfs/dbraw/zinc/31/58/16/734315816.db2.gz MXNXAACADCCALC-UHFFFAOYSA-N 1 1 343.427 0.939 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC=CCC2)C1 ZINC001111585174 734336120 /nfs/dbraw/zinc/33/61/20/734336120.db2.gz ISVDLXJPFYRMQB-MPGHIAIKSA-N 1 1 330.432 0.953 20 30 ECEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC=CCC2)C1 ZINC001111585174 734336122 /nfs/dbraw/zinc/33/61/22/734336122.db2.gz ISVDLXJPFYRMQB-MPGHIAIKSA-N 1 1 330.432 0.953 20 30 ECEDMO C=CCOCC[N@H+]1CCCO[C@H](CNC(=O)c2snnc2C)C1 ZINC001149131663 734338038 /nfs/dbraw/zinc/33/80/38/734338038.db2.gz RKSGNZNKPKWEDU-CYBMUJFWSA-N 1 1 340.449 0.870 20 30 ECEDMO C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087143498 734339701 /nfs/dbraw/zinc/33/97/01/734339701.db2.gz DZRHAIAWRKEAMC-YPMHNXCESA-N 1 1 342.407 0.440 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3nnc[nH]3)C2)C1=O ZINC000971302209 734432127 /nfs/dbraw/zinc/43/21/27/734432127.db2.gz ULQYMWDKBDZKLQ-KGLIPLIRSA-N 1 1 346.435 0.057 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 ZINC001104337796 734435024 /nfs/dbraw/zinc/43/50/24/734435024.db2.gz GTUJQSARKZJYBK-ZDUSSCGKSA-N 1 1 346.435 0.400 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC000949515335 734536776 /nfs/dbraw/zinc/53/67/76/734536776.db2.gz MOTOOAKNAKXGEJ-KRWDZBQOSA-N 1 1 347.459 0.714 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC000949515335 734536778 /nfs/dbraw/zinc/53/67/78/734536778.db2.gz MOTOOAKNAKXGEJ-KRWDZBQOSA-N 1 1 347.459 0.714 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1)C1CCC1 ZINC001104353447 734601204 /nfs/dbraw/zinc/60/12/04/734601204.db2.gz WYURRKLUGBIMES-OAHLLOKOSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971453090 734607388 /nfs/dbraw/zinc/60/73/88/734607388.db2.gz YOMYUWXWQKLTDW-HIFRSBDPSA-N 1 1 346.362 0.838 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971453090 734607389 /nfs/dbraw/zinc/60/73/89/734607389.db2.gz YOMYUWXWQKLTDW-HIFRSBDPSA-N 1 1 346.362 0.838 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174068 782426870 /nfs/dbraw/zinc/42/68/70/782426870.db2.gz AJKFLRGKWRXOMH-IJLUTSLNSA-N 1 1 332.242 0.008 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C2)C1=O ZINC000971528073 734714854 /nfs/dbraw/zinc/71/48/54/734714854.db2.gz HKTMTPXAHFOPKD-CVEARBPZSA-N 1 1 345.447 0.282 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545654 734739212 /nfs/dbraw/zinc/73/92/12/734739212.db2.gz WOVSHKUXBDIRIL-HNNXBMFYSA-N 1 1 325.376 0.278 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC000971557007 734747405 /nfs/dbraw/zinc/74/74/05/734747405.db2.gz XQGXMWPLSACYOX-XHSDSOJGSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC000971557007 734747408 /nfs/dbraw/zinc/74/74/08/734747408.db2.gz XQGXMWPLSACYOX-XHSDSOJGSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC2(CCNC(=O)c3ncn[nH]3)CC2)C1=O ZINC001167486516 734890479 /nfs/dbraw/zinc/89/04/79/734890479.db2.gz HNMFWTNNJHAYPC-LBPRGKRZSA-N 1 1 332.408 0.081 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC2(CCNC(=O)c3nc[nH]n3)CC2)C1=O ZINC001167486516 734890480 /nfs/dbraw/zinc/89/04/80/734890480.db2.gz HNMFWTNNJHAYPC-LBPRGKRZSA-N 1 1 332.408 0.081 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cc(OC)no2)C1 ZINC000971705100 734966109 /nfs/dbraw/zinc/96/61/09/734966109.db2.gz ZFHVMGRMQUCKKR-ZBFHGGJFSA-N 1 1 346.431 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cc(OC)no2)C1 ZINC000971705100 734966111 /nfs/dbraw/zinc/96/61/11/734966111.db2.gz ZFHVMGRMQUCKKR-ZBFHGGJFSA-N 1 1 346.431 0.814 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973189078 738877569 /nfs/dbraw/zinc/87/75/69/738877569.db2.gz LXKHFWUYKVADPZ-JOCQHMNTSA-N 1 1 326.360 0.469 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCn3ccnc3)C2)C1=O ZINC000972040945 735546834 /nfs/dbraw/zinc/54/68/34/735546834.db2.gz VOOVXBMQGCIHRR-HOTGVXAUSA-N 1 1 345.447 0.593 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)CCC)CC1 ZINC001098563984 735661983 /nfs/dbraw/zinc/66/19/83/735661983.db2.gz IICIRVWMUSOUMG-UHFFFAOYSA-N 1 1 346.493 0.673 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)n1 ZINC000972115365 735662092 /nfs/dbraw/zinc/66/20/92/735662092.db2.gz JWRCJRWQILZSPV-AWEZNQCLSA-N 1 1 325.376 0.428 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1 ZINC000972242324 735831007 /nfs/dbraw/zinc/83/10/07/735831007.db2.gz HSNGDCNOMIGCDG-IJEWVQPXSA-N 1 1 341.415 0.511 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC001098566968 735869152 /nfs/dbraw/zinc/86/91/52/735869152.db2.gz XQDLXSXSNMSXLQ-AWEZNQCLSA-N 1 1 330.450 0.035 20 30 ECEDMO CO[C@H](C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972322068 735941822 /nfs/dbraw/zinc/94/18/22/735941822.db2.gz ZQVCGRDBESPNIU-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO CO[C@H](C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000972322068 735941824 /nfs/dbraw/zinc/94/18/24/735941824.db2.gz ZQVCGRDBESPNIU-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972352575 735993098 /nfs/dbraw/zinc/99/30/98/735993098.db2.gz NQMPVCLZJXWIPC-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972352575 735993100 /nfs/dbraw/zinc/99/31/00/735993100.db2.gz NQMPVCLZJXWIPC-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001078216334 782508204 /nfs/dbraw/zinc/50/82/04/782508204.db2.gz IEDDSDQFRXTEPE-HUUCEWRRSA-N 1 1 332.400 0.810 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001078216334 782508210 /nfs/dbraw/zinc/50/82/10/782508210.db2.gz IEDDSDQFRXTEPE-HUUCEWRRSA-N 1 1 332.400 0.810 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001041966675 782508865 /nfs/dbraw/zinc/50/88/65/782508865.db2.gz RIWKYIIUSZUDDZ-CABCVRRESA-N 1 1 335.448 0.659 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394549 736115490 /nfs/dbraw/zinc/11/54/90/736115490.db2.gz KMWMGVPCDUUXRA-QGZVFWFLSA-N 1 1 342.403 0.617 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394549 736115493 /nfs/dbraw/zinc/11/54/93/736115493.db2.gz KMWMGVPCDUUXRA-QGZVFWFLSA-N 1 1 342.403 0.617 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394548 736115668 /nfs/dbraw/zinc/11/56/68/736115668.db2.gz KMWMGVPCDUUXRA-KRWDZBQOSA-N 1 1 342.403 0.617 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394548 736115672 /nfs/dbraw/zinc/11/56/72/736115672.db2.gz KMWMGVPCDUUXRA-KRWDZBQOSA-N 1 1 342.403 0.617 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC000972459576 736251234 /nfs/dbraw/zinc/25/12/34/736251234.db2.gz XHDSYKDPZJJLFU-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC000972459576 736251235 /nfs/dbraw/zinc/25/12/35/736251235.db2.gz XHDSYKDPZJJLFU-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 ZINC000972458852 736253399 /nfs/dbraw/zinc/25/33/99/736253399.db2.gz OLHOSSRDCBMDGX-QAPCUYQASA-N 1 1 335.448 0.925 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(COC)no3)C2)nc1 ZINC001022990722 736370436 /nfs/dbraw/zinc/37/04/36/736370436.db2.gz CXBWTWIDZRKBJS-BETUJISGSA-N 1 1 341.371 0.643 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)CCc3cnn(C)c3)C2)nn1 ZINC000972498342 736414096 /nfs/dbraw/zinc/41/40/96/736414096.db2.gz AKEQIRHBJFOUIJ-HNNXBMFYSA-N 1 1 343.435 0.587 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cnn(C)c3)C2)nn1 ZINC000972515923 736520180 /nfs/dbraw/zinc/52/01/80/736520180.db2.gz DKNWBMYBQQWFRW-HNNXBMFYSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@H+](C)[C@H](CC)C(N)=O)C2)nn1 ZINC000972516086 736523470 /nfs/dbraw/zinc/52/34/70/736523470.db2.gz HFXUFAXGMQXCDZ-TZMCWYRMSA-N 1 1 334.424 0.264 20 30 ECEDMO N#Cc1cncc(NCC2(O)CCN(C(=O)Cc3c[nH]cn3)CC2)n1 ZINC001067487388 736559019 /nfs/dbraw/zinc/55/90/19/736559019.db2.gz QQOUHXJWJGZPBC-UHFFFAOYSA-N 1 1 341.375 0.079 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@]3(C1)CN(CC#N)CCO3)CC2 ZINC000972525181 736569775 /nfs/dbraw/zinc/56/97/75/736569775.db2.gz ZPPUBSUICDEJJY-CRAIPNDOSA-N 1 1 343.431 0.581 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000972526968 736582334 /nfs/dbraw/zinc/58/23/34/736582334.db2.gz NSQSOLXZSGUWSK-RYUDHWBXSA-N 1 1 335.857 0.306 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000972526968 736582337 /nfs/dbraw/zinc/58/23/37/736582337.db2.gz NSQSOLXZSGUWSK-RYUDHWBXSA-N 1 1 335.857 0.306 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@H](C)O)CCO3)c1 ZINC000972547177 736667531 /nfs/dbraw/zinc/66/75/31/736667531.db2.gz WUYKFFOOXSOREB-KBXCAEBGSA-N 1 1 329.400 0.361 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@H](C)O)CCO3)c1 ZINC000972547177 736667535 /nfs/dbraw/zinc/66/75/35/736667535.db2.gz WUYKFFOOXSOREB-KBXCAEBGSA-N 1 1 329.400 0.361 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023320137 736680236 /nfs/dbraw/zinc/68/02/36/736680236.db2.gz SSJQMLKUDHIRLO-CHWSQXEVSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1 ZINC001111482297 736682537 /nfs/dbraw/zinc/68/25/37/736682537.db2.gz CPIPZPLSOUJUJU-OAGGEKHMSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1 ZINC001111482297 736682541 /nfs/dbraw/zinc/68/25/41/736682541.db2.gz CPIPZPLSOUJUJU-OAGGEKHMSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C1CC1 ZINC001111482304 736685458 /nfs/dbraw/zinc/68/54/58/736685458.db2.gz CVXUMOCNZVBWFN-OAGGEKHMSA-N 1 1 335.448 0.921 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C1CC1 ZINC001111482304 736685460 /nfs/dbraw/zinc/68/54/60/736685460.db2.gz CVXUMOCNZVBWFN-OAGGEKHMSA-N 1 1 335.448 0.921 20 30 ECEDMO C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC000972552949 736706089 /nfs/dbraw/zinc/70/60/89/736706089.db2.gz WVXMPGWEEPHZEN-QFBILLFUSA-N 1 1 342.443 0.690 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023367376 736744373 /nfs/dbraw/zinc/74/43/73/736744373.db2.gz YXAUQKXPIWVXQI-KBPBESRZSA-N 1 1 331.420 0.777 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972556957 736748675 /nfs/dbraw/zinc/74/86/75/736748675.db2.gz KJMPLEXJLUWODK-QGZVFWFLSA-N 1 1 333.388 0.899 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972556957 736748681 /nfs/dbraw/zinc/74/86/81/736748681.db2.gz KJMPLEXJLUWODK-QGZVFWFLSA-N 1 1 333.388 0.899 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001023410920 736794415 /nfs/dbraw/zinc/79/44/15/736794415.db2.gz XSRHIRGKGGQDEX-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023449381 736847195 /nfs/dbraw/zinc/84/71/95/736847195.db2.gz OMGRCLGGKQHXGO-UONOGXRCSA-N 1 1 333.436 0.950 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cn[nH]n3)C2)C1=O ZINC001023461511 736866970 /nfs/dbraw/zinc/86/69/70/736866970.db2.gz WMBQUQZUXGBBCX-OCCSQVGLSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](CNC(=O)c3cnn[nH]3)C2)C1=O ZINC001023461511 736866973 /nfs/dbraw/zinc/86/69/73/736866973.db2.gz WMBQUQZUXGBBCX-OCCSQVGLSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cnn[nH]3)C2)C1=O ZINC001023461511 736866977 /nfs/dbraw/zinc/86/69/77/736866977.db2.gz WMBQUQZUXGBBCX-OCCSQVGLSA-N 1 1 332.408 0.033 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001023510868 736936253 /nfs/dbraw/zinc/93/62/53/736936253.db2.gz SKBHIJDDAVHWIE-HUUCEWRRSA-N 1 1 330.432 0.999 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972583356 736947608 /nfs/dbraw/zinc/94/76/08/736947608.db2.gz UQRHTNAFXPPMIZ-IBGZPJMESA-N 1 1 343.427 0.483 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972583356 736947609 /nfs/dbraw/zinc/94/76/09/736947609.db2.gz UQRHTNAFXPPMIZ-IBGZPJMESA-N 1 1 343.427 0.483 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001023522037 736951833 /nfs/dbraw/zinc/95/18/33/736951833.db2.gz RCMODQNABDRHDX-CYBMUJFWSA-N 1 1 342.407 0.159 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001023564218 737013466 /nfs/dbraw/zinc/01/34/66/737013466.db2.gz IKTAMHMWADUYJF-HOTGVXAUSA-N 1 1 341.415 0.568 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)s3)C2)C1 ZINC000972596354 737030680 /nfs/dbraw/zinc/03/06/80/737030680.db2.gz LJYCLGRAUSHLBB-QGZVFWFLSA-N 1 1 347.440 0.787 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)s3)C2)C1 ZINC000972596354 737030685 /nfs/dbraw/zinc/03/06/85/737030685.db2.gz LJYCLGRAUSHLBB-QGZVFWFLSA-N 1 1 347.440 0.787 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001023608014 737071843 /nfs/dbraw/zinc/07/18/43/737071843.db2.gz QMLGMCFLQOIHGZ-AWEZNQCLSA-N 1 1 330.432 0.816 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccnnc3)C2)C1=O ZINC001023618916 737087764 /nfs/dbraw/zinc/08/77/64/737087764.db2.gz YFXRWZMDUZVWJC-HOCLYGCPSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(C)n3)C2)nn1 ZINC001023637031 737122901 /nfs/dbraw/zinc/12/29/01/737122901.db2.gz BIEAWKQNAXXEKS-ZDUSSCGKSA-N 1 1 344.423 0.533 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001023640222 737131262 /nfs/dbraw/zinc/13/12/62/737131262.db2.gz AIHNBLPWEZIAMI-CABCVRRESA-N 1 1 345.447 0.947 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628728 737149112 /nfs/dbraw/zinc/14/91/12/737149112.db2.gz VAPDKGVAQGEKFP-APWZRJJASA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628728 737149114 /nfs/dbraw/zinc/14/91/14/737149114.db2.gz VAPDKGVAQGEKFP-APWZRJJASA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972629172 737156723 /nfs/dbraw/zinc/15/67/23/737156723.db2.gz YASDONXBJVYNGP-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+](CCCO)C1 ZINC001023707658 737225722 /nfs/dbraw/zinc/22/57/22/737225722.db2.gz VAVBAULUMHTVOW-HNNXBMFYSA-N 1 1 331.416 0.918 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnnn3C)C2)nc1 ZINC001023708911 737227321 /nfs/dbraw/zinc/22/73/21/737227321.db2.gz MVPRZEHRFWAGFV-HNNXBMFYSA-N 1 1 338.415 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnnn3C)C2)nc1 ZINC001023708911 737227322 /nfs/dbraw/zinc/22/73/22/737227322.db2.gz MVPRZEHRFWAGFV-HNNXBMFYSA-N 1 1 338.415 0.833 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972642616 737229453 /nfs/dbraw/zinc/22/94/53/737229453.db2.gz KBUQQFZBWGMXGL-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](CCCO)CCO3)nc1 ZINC000972644020 737238496 /nfs/dbraw/zinc/23/84/96/737238496.db2.gz VMTKTVWJFIBBJY-GOSISDBHSA-N 1 1 329.400 0.362 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCCO)CCO3)nc1 ZINC000972644020 737238500 /nfs/dbraw/zinc/23/85/00/737238500.db2.gz VMTKTVWJFIBBJY-GOSISDBHSA-N 1 1 329.400 0.362 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 ZINC000972669849 737317745 /nfs/dbraw/zinc/31/77/45/737317745.db2.gz UAUNITSUFIZHPM-SFHVURJKSA-N 1 1 331.416 0.728 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 ZINC000972669849 737317750 /nfs/dbraw/zinc/31/77/50/737317750.db2.gz UAUNITSUFIZHPM-SFHVURJKSA-N 1 1 331.416 0.728 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN([C@@H]3CCNC3=O)C2)CC1 ZINC001023761920 737326544 /nfs/dbraw/zinc/32/65/44/737326544.db2.gz MQCSYELHCRKSGI-NVXWUHKLSA-N 1 1 346.475 0.048 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972676931 737356746 /nfs/dbraw/zinc/35/67/46/737356746.db2.gz MLDXGRDIZJYLIO-KRWDZBQOSA-N 1 1 348.403 0.801 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972676931 737356748 /nfs/dbraw/zinc/35/67/48/737356748.db2.gz MLDXGRDIZJYLIO-KRWDZBQOSA-N 1 1 348.403 0.801 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001023783451 737368292 /nfs/dbraw/zinc/36/82/92/737368292.db2.gz JAQJQOKRLFFSHA-ARFHVFGLSA-N 1 1 335.448 0.372 20 30 ECEDMO C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682548 737370611 /nfs/dbraw/zinc/37/06/11/737370611.db2.gz GJDLUNOZIOXINI-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682548 737370618 /nfs/dbraw/zinc/37/06/18/737370618.db2.gz GJDLUNOZIOXINI-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972693241 737399812 /nfs/dbraw/zinc/39/98/12/737399812.db2.gz XEMYRAOXOPFWGK-GOSISDBHSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972693241 737399813 /nfs/dbraw/zinc/39/98/13/737399813.db2.gz XEMYRAOXOPFWGK-GOSISDBHSA-N 1 1 342.399 0.121 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001023894790 737470617 /nfs/dbraw/zinc/47/06/17/737470617.db2.gz GTFPOBMKMPMADF-QWHCGFSZSA-N 1 1 333.440 0.916 20 30 ECEDMO C=CCN1CC[C@@H](N(C)[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000972734985 737570347 /nfs/dbraw/zinc/57/03/47/737570347.db2.gz IOOSMIOZESUEAX-JKSUJKDBSA-N 1 1 346.475 0.402 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCCN(C)C3=O)C2)nc1 ZINC000972750583 737591275 /nfs/dbraw/zinc/59/12/75/737591275.db2.gz BFGJGGRFPCQNQI-NVXWUHKLSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCCN(C)C3=O)C2)nc1 ZINC000972750584 737591301 /nfs/dbraw/zinc/59/13/01/737591301.db2.gz BFGJGGRFPCQNQI-RDJZCZTQSA-N 1 1 340.427 0.830 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC001024321647 737890204 /nfs/dbraw/zinc/89/02/04/737890204.db2.gz IZFJTGICZMSVTF-CVEARBPZSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC001024321647 737890207 /nfs/dbraw/zinc/89/02/07/737890207.db2.gz IZFJTGICZMSVTF-CVEARBPZSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnsn2)C1=O ZINC001024342622 737909673 /nfs/dbraw/zinc/90/96/73/737909673.db2.gz YOWZYPKLXRSJPO-TZMCWYRMSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnsn2)C1=O ZINC001024342622 737909674 /nfs/dbraw/zinc/90/96/74/737909674.db2.gz YOWZYPKLXRSJPO-TZMCWYRMSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ncn(C)n2)C1=O ZINC001024426112 737960312 /nfs/dbraw/zinc/96/03/12/737960312.db2.gz UJISPBGWRNOOMU-ZIAGYGMSSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ncn(C)n2)C1=O ZINC001024426112 737960315 /nfs/dbraw/zinc/96/03/15/737960315.db2.gz UJISPBGWRNOOMU-ZIAGYGMSSA-N 1 1 346.435 0.186 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001024478176 738006517 /nfs/dbraw/zinc/00/65/17/738006517.db2.gz SDURIYPZEVTZEG-LBPRGKRZSA-N 1 1 327.388 0.891 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001024500931 738030220 /nfs/dbraw/zinc/03/02/20/738030220.db2.gz BCDQQBLNDKZPRA-RBSFLKMASA-N 1 1 335.448 0.515 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001024537437 738077002 /nfs/dbraw/zinc/07/70/02/738077002.db2.gz FXFOZWVKQHUJOR-LBPRGKRZSA-N 1 1 330.413 0.974 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)CC1 ZINC001098589580 738159436 /nfs/dbraw/zinc/15/94/36/738159436.db2.gz XFQPVWCNEWTMEH-GOSISDBHSA-N 1 1 335.448 0.354 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001024704517 738232057 /nfs/dbraw/zinc/23/20/57/738232057.db2.gz OBYWYNULKAVTQQ-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001024704517 738232060 /nfs/dbraw/zinc/23/20/60/738232060.db2.gz OBYWYNULKAVTQQ-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnn(C)n2)C1=O ZINC001024706083 738233469 /nfs/dbraw/zinc/23/34/69/738233469.db2.gz RZHOPFOVXGCHMB-UKRRQHHQSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnn(C)n2)C1=O ZINC001024706083 738233471 /nfs/dbraw/zinc/23/34/71/738233471.db2.gz RZHOPFOVXGCHMB-UKRRQHHQSA-N 1 1 346.435 0.186 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCC(=O)NC3=O)C(C)(C)[C@@H]21 ZINC001087312302 738245282 /nfs/dbraw/zinc/24/52/82/738245282.db2.gz CFENYXMPMOWTEU-DAXOMENPSA-N 1 1 346.431 0.167 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C(C)(C)[C@H]21 ZINC001087310564 738246562 /nfs/dbraw/zinc/24/65/62/738246562.db2.gz YTCZHQLCEUULPS-XYPHTWIQSA-N 1 1 345.443 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C(C)(C)[C@H]21 ZINC001087312717 738250666 /nfs/dbraw/zinc/25/06/66/738250666.db2.gz JGLGIYPPYRGROK-WQVCFCJDSA-N 1 1 346.431 0.119 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC(N)=O)[C@H]3C2(C)C)cn1 ZINC001087314530 738263711 /nfs/dbraw/zinc/26/37/11/738263711.db2.gz MNTXOOYWZRPBJL-USXIJHARSA-N 1 1 340.427 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CC(N)=O)[C@H]3C2(C)C)cn1 ZINC001087314530 738263713 /nfs/dbraw/zinc/26/37/13/738263713.db2.gz MNTXOOYWZRPBJL-USXIJHARSA-N 1 1 340.427 0.767 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C(C)(C)[C@@H]21 ZINC001087316023 738270523 /nfs/dbraw/zinc/27/05/23/738270523.db2.gz LLMKFOYBYQJYIE-MRVWCRGKSA-N 1 1 346.431 0.891 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025241536 738906715 /nfs/dbraw/zinc/90/67/15/738906715.db2.gz YDDSPJRHSIIRLY-HZPDHXFCSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC000973213280 738909078 /nfs/dbraw/zinc/90/90/78/738909078.db2.gz LAJCNPNOMJUHTO-JYJNAYRXSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC000973213280 738909081 /nfs/dbraw/zinc/90/90/81/738909081.db2.gz LAJCNPNOMJUHTO-JYJNAYRXSA-N 1 1 341.415 0.260 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2cncc(C#N)n2)C1 ZINC001104578737 739001785 /nfs/dbraw/zinc/00/17/85/739001785.db2.gz CSTDMLBQVVATRX-JSGCOSHPSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2cncc(C#N)n2)C1 ZINC001104578737 739001790 /nfs/dbraw/zinc/00/17/90/739001790.db2.gz CSTDMLBQVVATRX-JSGCOSHPSA-N 1 1 332.408 0.328 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025279660 739002069 /nfs/dbraw/zinc/00/20/69/739002069.db2.gz FYUMNOWDFRLFRV-HUUCEWRRSA-N 1 1 346.431 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CCC1=O ZINC001025298327 739019679 /nfs/dbraw/zinc/01/96/79/739019679.db2.gz WESMEJYHUAPAPS-HUUCEWRRSA-N 1 1 331.416 0.614 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cn(C)c(=O)n1C ZINC001025300629 739021806 /nfs/dbraw/zinc/02/18/06/739021806.db2.gz DPPVUOARRXTENF-GJZGRUSLSA-N 1 1 330.432 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cn(C)c(=O)n1C ZINC001025300631 739021963 /nfs/dbraw/zinc/02/19/63/739021963.db2.gz DPPVUOARRXTENF-LSDHHAIUSA-N 1 1 330.432 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cscn2)C1 ZINC000973285023 739047727 /nfs/dbraw/zinc/04/77/27/739047727.db2.gz HCVHEMVSSJFPJF-YDHLFZDLSA-N 1 1 346.456 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cscn2)C1 ZINC000973285023 739047731 /nfs/dbraw/zinc/04/77/31/739047731.db2.gz HCVHEMVSSJFPJF-YDHLFZDLSA-N 1 1 346.456 0.547 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC000973285355 739048247 /nfs/dbraw/zinc/04/82/47/739048247.db2.gz QFBPKUMMXHMSLY-IHRRRGAJSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3c[nH+]cc3C)C2)nn1 ZINC000973285274 739048283 /nfs/dbraw/zinc/04/82/83/739048283.db2.gz OMZJIBVXWWRISK-JOCQHMNTSA-N 1 1 343.391 0.046 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000973354721 739140295 /nfs/dbraw/zinc/14/02/95/739140295.db2.gz BNTAXTRFDUYMNF-KLHDSHLOSA-N 1 1 347.459 0.969 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCN(CC)C2=O)nn1 ZINC001028187087 751418190 /nfs/dbraw/zinc/41/81/90/751418190.db2.gz BQXYASCFFLPHOX-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCN(CC)C2=O)nn1 ZINC001028187087 751418195 /nfs/dbraw/zinc/41/81/95/751418195.db2.gz BQXYASCFFLPHOX-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC000973410864 739224792 /nfs/dbraw/zinc/22/47/92/739224792.db2.gz ZIKDLXRGVBKDQY-ZOBUZTSGSA-N 1 1 342.443 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC000973410864 739224795 /nfs/dbraw/zinc/22/47/95/739224795.db2.gz ZIKDLXRGVBKDQY-ZOBUZTSGSA-N 1 1 342.443 0.808 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001025380742 739312170 /nfs/dbraw/zinc/31/21/70/739312170.db2.gz JMQLZJFOVPPIIR-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000973457946 739315073 /nfs/dbraw/zinc/31/50/73/739315073.db2.gz RBHULMUCHPQDFU-TUVASFSCSA-N 1 1 332.404 0.546 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2CCn2cccn2)nn1 ZINC001028193254 751435103 /nfs/dbraw/zinc/43/51/03/751435103.db2.gz ZGESPMMCCXYEDW-OAHLLOKOSA-N 1 1 343.435 0.945 20 30 ECEDMO COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C ZINC001104698582 739498263 /nfs/dbraw/zinc/49/82/63/739498263.db2.gz BBOQGENKUDBOTA-HUUCEWRRSA-N 1 1 333.436 0.461 20 30 ECEDMO COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1C ZINC001104698582 739498266 /nfs/dbraw/zinc/49/82/66/739498266.db2.gz BBOQGENKUDBOTA-HUUCEWRRSA-N 1 1 333.436 0.461 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccnc2)C1 ZINC001112021539 739522410 /nfs/dbraw/zinc/52/24/10/739522410.db2.gz UCMKXGVMRQENDG-YOEHRIQHSA-N 1 1 331.420 0.156 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC23CCN(c2cncc(C#N)n2)CC3)C1 ZINC001058636456 739544285 /nfs/dbraw/zinc/54/42/85/739544285.db2.gz IXKWRFQEQLXFIC-ZFWWWQNUSA-N 1 1 340.431 0.775 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001025500580 739660573 /nfs/dbraw/zinc/66/05/73/739660573.db2.gz UKYPEIDDZQYMRH-WCQYABFASA-N 1 1 344.423 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001025545215 739706723 /nfs/dbraw/zinc/70/67/23/739706723.db2.gz IVZGIXCBYRRMOA-DZGCQCFKSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001025545215 739706724 /nfs/dbraw/zinc/70/67/24/739706724.db2.gz IVZGIXCBYRRMOA-DZGCQCFKSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001025592461 739753473 /nfs/dbraw/zinc/75/34/73/739753473.db2.gz ORYDRYPFYKXEBL-QWRGUYRKSA-N 1 1 334.376 0.360 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025615009 739777628 /nfs/dbraw/zinc/77/76/28/739777628.db2.gz RHQVJSKBUSMUQN-QWHCGFSZSA-N 1 1 331.420 0.982 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCCN(CC(=O)NC)C2)CC1 ZINC001025629062 739793345 /nfs/dbraw/zinc/79/33/45/739793345.db2.gz ZOYNEQAZXNCWMK-RDJZCZTQSA-N 1 1 348.491 0.294 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001028203013 751483910 /nfs/dbraw/zinc/48/39/10/751483910.db2.gz MTKYWVBBZFWETJ-CYBMUJFWSA-N 1 1 327.388 0.549 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)COC)C[C@H]1C(F)(F)F ZINC001112029218 739847617 /nfs/dbraw/zinc/84/76/17/739847617.db2.gz WCCQQRVVZFANCU-GMTAPVOTSA-N 1 1 337.342 0.302 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2 ZINC000982023522 751487623 /nfs/dbraw/zinc/48/76/23/751487623.db2.gz KGNCLBKFIFQJFC-XHSDSOJGSA-N 1 1 349.475 0.979 20 30 ECEDMO C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001058658649 739907586 /nfs/dbraw/zinc/90/75/86/739907586.db2.gz IFFUQYMZDKILDJ-ZDUSSCGKSA-N 1 1 326.441 0.061 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4C[C@]45CCOC5)C[C@H]32)[nH]1 ZINC001025741738 739910642 /nfs/dbraw/zinc/91/06/42/739910642.db2.gz WHQPTTFKUOJWFZ-BOTAPPSGSA-N 1 1 326.400 0.973 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@H]1C(F)(F)F ZINC001112031476 739918596 /nfs/dbraw/zinc/91/85/96/739918596.db2.gz MBBGJMDVGUHDPR-IWSPIJDZSA-N 1 1 343.296 0.921 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)C1=O ZINC001006540595 751496377 /nfs/dbraw/zinc/49/63/77/751496377.db2.gz BLYMVCHQGQSGST-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)C1=O ZINC001006540595 751496379 /nfs/dbraw/zinc/49/63/79/751496379.db2.gz BLYMVCHQGQSGST-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3nncn3C)C[C@H]21 ZINC001025814039 739996408 /nfs/dbraw/zinc/99/64/08/739996408.db2.gz GSZMHKRDJVBHIC-OWYFMNJBSA-N 1 1 342.447 0.020 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3nncn3C)C[C@H]21 ZINC001025814039 739996409 /nfs/dbraw/zinc/99/64/09/739996409.db2.gz GSZMHKRDJVBHIC-OWYFMNJBSA-N 1 1 342.447 0.020 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N[C@H](CC(C)C)C1 ZINC001025847322 740018594 /nfs/dbraw/zinc/01/85/94/740018594.db2.gz KOFHDDGGPRKJAT-JLOCXQCDSA-N 1 1 331.460 0.997 20 30 ECEDMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC#Cc1ccccc1 ZINC001087384269 740031627 /nfs/dbraw/zinc/03/16/27/740031627.db2.gz DFCVUXHJTHLHEF-MLHJIOFPSA-N 1 1 337.423 0.692 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@H]1C(F)(F)F ZINC001112035566 740046719 /nfs/dbraw/zinc/04/67/19/740046719.db2.gz HZCXNXFOXYXBFP-GHMZBOCLSA-N 1 1 343.305 0.622 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)[C@H]2CCCO2)C1 ZINC000988086227 751515486 /nfs/dbraw/zinc/51/54/86/751515486.db2.gz HVEBNNABLWGOMX-IXDOHACOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)[C@H]2CCCO2)C1 ZINC000988086227 751515491 /nfs/dbraw/zinc/51/54/91/751515491.db2.gz HVEBNNABLWGOMX-IXDOHACOSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001068463972 790319310 /nfs/dbraw/zinc/31/93/10/790319310.db2.gz SEYPQYZPTIMAPY-JKSUJKDBSA-N 1 1 349.475 0.980 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(Nc3nccnc3C#N)CCC2)C1 ZINC001111777812 740264239 /nfs/dbraw/zinc/26/42/39/740264239.db2.gz SVWOYPITSWHCEO-ZDUSSCGKSA-N 1 1 330.392 0.130 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(Nc3nccnc3C#N)CCC2)C1 ZINC001111777812 740264241 /nfs/dbraw/zinc/26/42/41/740264241.db2.gz SVWOYPITSWHCEO-ZDUSSCGKSA-N 1 1 330.392 0.130 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCO[C@@H](C)C4)C[C@H]32)nn1 ZINC001026094174 740370107 /nfs/dbraw/zinc/37/01/07/740370107.db2.gz JGPBNQUZHDPOPY-LVNYTYFRSA-N 1 1 345.447 0.939 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001026101756 740376851 /nfs/dbraw/zinc/37/68/51/740376851.db2.gz FPNCFFMVFYDYHD-NYXISSTPSA-N 1 1 347.459 0.635 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000982064516 751545540 /nfs/dbraw/zinc/54/55/40/751545540.db2.gz RGBUQKZWIFRWIN-JYJNAYRXSA-N 1 1 347.459 0.781 20 30 ECEDMO CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112050095 740497667 /nfs/dbraw/zinc/49/76/67/740497667.db2.gz QKZIGCWDKUMWAX-GHMZBOCLSA-N 1 1 334.342 0.795 20 30 ECEDMO CN(CCCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001112055891 740673055 /nfs/dbraw/zinc/67/30/55/740673055.db2.gz XSZWVOFSNDWRAS-OAHLLOKOSA-N 1 1 331.420 0.569 20 30 ECEDMO CN(CCCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001112055891 740673059 /nfs/dbraw/zinc/67/30/59/740673059.db2.gz XSZWVOFSNDWRAS-OAHLLOKOSA-N 1 1 331.420 0.569 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnnc(C)c2)C1 ZINC000974076148 740894276 /nfs/dbraw/zinc/89/42/76/740894276.db2.gz LAJCNPNOMJUHTO-XHSDSOJGSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnnc(C)c2)C1 ZINC000974076148 740894279 /nfs/dbraw/zinc/89/42/79/740894279.db2.gz LAJCNPNOMJUHTO-XHSDSOJGSA-N 1 1 341.415 0.260 20 30 ECEDMO CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104926323 740954875 /nfs/dbraw/zinc/95/48/75/740954875.db2.gz OPZBPOFMFYZUPY-UONOGXRCSA-N 1 1 346.435 0.044 20 30 ECEDMO CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104926323 740954878 /nfs/dbraw/zinc/95/48/78/740954878.db2.gz OPZBPOFMFYZUPY-UONOGXRCSA-N 1 1 346.435 0.044 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H](CNc1ccnc(C#N)n1)CC(C)C ZINC001104950248 741008582 /nfs/dbraw/zinc/00/85/82/741008582.db2.gz OGZMKBYCNCXRCW-AWEZNQCLSA-N 1 1 341.419 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cnc(C)o2)C1 ZINC000974230361 741141077 /nfs/dbraw/zinc/14/10/77/741141077.db2.gz VWPDGRJOQCSHOG-LZWOXQAQSA-N 1 1 344.415 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cnc(C)o2)C1 ZINC000974230361 741141080 /nfs/dbraw/zinc/14/10/80/741141080.db2.gz VWPDGRJOQCSHOG-LZWOXQAQSA-N 1 1 344.415 0.387 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2csc(C)n2)C1 ZINC000974263352 741193301 /nfs/dbraw/zinc/19/33/01/741193301.db2.gz RDFAKARHGCJPSS-GUTXKFCHSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2csc(C)n2)C1 ZINC000974263352 741193304 /nfs/dbraw/zinc/19/33/04/741193304.db2.gz RDFAKARHGCJPSS-GUTXKFCHSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC001105039478 741222642 /nfs/dbraw/zinc/22/26/42/741222642.db2.gz BPELJRPEZBNVIR-IUODEOHRSA-N 1 1 343.431 0.882 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC001105039479 741222647 /nfs/dbraw/zinc/22/26/47/741222647.db2.gz BPELJRPEZBNVIR-SWLSCSKDSA-N 1 1 343.431 0.882 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC000982130679 751629446 /nfs/dbraw/zinc/62/94/46/751629446.db2.gz YYUJNZQTSHLYOW-OAHLLOKOSA-N 1 1 339.461 0.016 20 30 ECEDMO C#CCCCCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)COC)nn2)C1 ZINC001105219520 741483946 /nfs/dbraw/zinc/48/39/46/741483946.db2.gz CYQJZPWKYSTJIQ-AWEZNQCLSA-N 1 1 333.436 0.980 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3nccc(C)n3)C2)nn1 ZINC001105223985 741502373 /nfs/dbraw/zinc/50/23/73/741502373.db2.gz RDADBGFHQAPKNG-UHFFFAOYSA-N 1 1 327.392 0.739 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccccc3-n3cnnn3)C2)C1 ZINC000982146207 751643133 /nfs/dbraw/zinc/64/31/33/751643133.db2.gz BGHTYQYYJATMQA-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001105227416 741508558 /nfs/dbraw/zinc/50/85/58/741508558.db2.gz IWEVEASSWKAACF-WBMJQRKESA-N 1 1 337.424 0.113 20 30 ECEDMO CC(C)C#CC(=O)N1CC(n2cc(C[NH2+]CCOC(C)C)nn2)C1 ZINC001105233274 741520123 /nfs/dbraw/zinc/52/01/23/741520123.db2.gz QUMZHBRUVFMMSS-UHFFFAOYSA-N 1 1 333.436 0.835 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242791 741543591 /nfs/dbraw/zinc/54/35/91/741543591.db2.gz IDPIYURFLIENTO-KRWDZBQOSA-N 1 1 342.447 0.116 20 30 ECEDMO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]CCOCCO)nn2)C1 ZINC001105252557 741562645 /nfs/dbraw/zinc/56/26/45/741562645.db2.gz XIOSAJVLPBKMPH-UHFFFAOYSA-N 1 1 337.424 0.116 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)nn1 ZINC001105253690 741566979 /nfs/dbraw/zinc/56/69/79/741566979.db2.gz AALUOFBINQQBKT-ZDUSSCGKSA-N 1 1 346.435 0.194 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCC(=O)NC3)C2)nn1 ZINC001105256440 741577043 /nfs/dbraw/zinc/57/70/43/741577043.db2.gz DTQZDKDJRHAUMY-ZDUSSCGKSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCOCC(F)(F)F)C2)nn1 ZINC001105275182 741620776 /nfs/dbraw/zinc/62/07/76/741620776.db2.gz GKDPQQCTVXKMDM-UHFFFAOYSA-N 1 1 347.341 0.906 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105275728 741623584 /nfs/dbraw/zinc/62/35/84/741623584.db2.gz ZROQTBKCLOSHIV-INIZCTEOSA-N 1 1 345.451 0.395 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4c3OCCC4)C2)nn1 ZINC001105276421 741629445 /nfs/dbraw/zinc/62/94/45/741629445.db2.gz HJIZLHMWDAPNKK-UHFFFAOYSA-N 1 1 343.391 0.230 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc(OC)cn3)C2)nn1 ZINC001105278779 741634906 /nfs/dbraw/zinc/63/49/06/741634906.db2.gz XEKLCJGPDYAPKL-UHFFFAOYSA-N 1 1 329.364 0.049 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OCC)[C@@H]3CCOC3)C2)nn1 ZINC001105292256 741655769 /nfs/dbraw/zinc/65/57/69/741655769.db2.gz HHUOWKXOWUTMGC-CZUORRHYSA-N 1 1 349.435 0.379 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC000982154205 751661942 /nfs/dbraw/zinc/66/19/42/751661942.db2.gz WHZYPRZSTURZLU-CYBMUJFWSA-N 1 1 327.450 0.179 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4n3CCCC4)C2)nn1 ZINC001105312511 741729908 /nfs/dbraw/zinc/72/99/08/741729908.db2.gz PGSQJEXFNIDGNV-UHFFFAOYSA-N 1 1 341.419 0.784 20 30 ECEDMO C=CCCC1(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001058729501 741733258 /nfs/dbraw/zinc/73/32/58/741733258.db2.gz LSFQVDAEQSYKOM-HNNXBMFYSA-N 1 1 337.464 0.622 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000982156156 751664248 /nfs/dbraw/zinc/66/42/48/751664248.db2.gz KRUVJLGYTBNBHE-UHFFFAOYSA-N 1 1 348.451 0.679 20 30 ECEDMO C=CCC[NH2+]Cc1cn(C2CN(C(=O)C3=NC(=O)N(C)C3)C2)nn1 ZINC001105317327 741751033 /nfs/dbraw/zinc/75/10/33/741751033.db2.gz SXAAESHOJPLVRS-UHFFFAOYSA-N 1 1 331.380 0.080 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cnnn3C)C(C)(C)C2)C1=O ZINC000974545038 741877430 /nfs/dbraw/zinc/87/74/30/741877430.db2.gz DKSUCZYURLTDOS-JSGCOSHPSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cnnn3C)C(C)(C)C2)C1=O ZINC000974545038 741877432 /nfs/dbraw/zinc/87/74/32/741877432.db2.gz DKSUCZYURLTDOS-JSGCOSHPSA-N 1 1 346.435 0.042 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C(C)(C)C1 ZINC000974578536 741910951 /nfs/dbraw/zinc/91/09/51/741910951.db2.gz QBYZYIBQVPPWNV-CYBMUJFWSA-N 1 1 333.432 0.621 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(C)(C)C1 ZINC000974650240 741969207 /nfs/dbraw/zinc/96/92/07/741969207.db2.gz AYPPHGLOSMKTLV-CQSZACIVSA-N 1 1 348.447 0.340 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2ncccn2)C(C)(C)C1 ZINC000974674714 741987060 /nfs/dbraw/zinc/98/70/60/741987060.db2.gz IVFIUTSUHBSHQM-HUUCEWRRSA-N 1 1 327.432 0.905 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000974894724 742302490 /nfs/dbraw/zinc/30/24/90/742302490.db2.gz MFDKCRAEWGNWOE-NSHDSACASA-N 1 1 330.396 0.320 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2nccs2)C1 ZINC001006717553 751720246 /nfs/dbraw/zinc/72/02/46/751720246.db2.gz BULVBVURGJURCJ-JSGCOSHPSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2nccs2)C1 ZINC001006717553 751720253 /nfs/dbraw/zinc/72/02/53/751720253.db2.gz BULVBVURGJURCJ-JSGCOSHPSA-N 1 1 346.456 0.817 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974994679 742421885 /nfs/dbraw/zinc/42/18/85/742421885.db2.gz LJSRBUXWJGAHIC-GJZGRUSLSA-N 1 1 341.415 0.566 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+](CCn3cncn3)CC2(C)C)c1 ZINC000975008506 742444584 /nfs/dbraw/zinc/44/45/84/742444584.db2.gz AVJYXBKVLNXNAX-INIZCTEOSA-N 1 1 338.415 0.795 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)c1 ZINC000975012624 742446315 /nfs/dbraw/zinc/44/63/15/742446315.db2.gz RLSMYXZFEPECTN-HZPDHXFCSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)c1 ZINC000975012624 742446317 /nfs/dbraw/zinc/44/63/17/742446317.db2.gz RLSMYXZFEPECTN-HZPDHXFCSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3(CF)CC3)[C@@H]2C1 ZINC000975077517 742474842 /nfs/dbraw/zinc/47/48/42/742474842.db2.gz BCXHHHWKQSBGNK-OWCLPIDISA-N 1 1 347.434 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3(CF)CC3)[C@@H]2C1 ZINC000975077517 742474845 /nfs/dbraw/zinc/47/48/45/742474845.db2.gz BCXHHHWKQSBGNK-OWCLPIDISA-N 1 1 347.434 0.893 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2ncn3nccc3c2=O)C(C)(C)C1 ZINC000975112746 742510937 /nfs/dbraw/zinc/51/09/37/742510937.db2.gz KRMBVYFSLBKZRH-AWEZNQCLSA-N 1 1 344.419 0.294 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000975181747 742573025 /nfs/dbraw/zinc/57/30/25/742573025.db2.gz VWOVUXAXLPUOSD-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000975181747 742573027 /nfs/dbraw/zinc/57/30/27/742573027.db2.gz VWOVUXAXLPUOSD-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000975212541 742609763 /nfs/dbraw/zinc/60/97/63/742609763.db2.gz GEGAWRHPSDNLCM-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975312322 742724448 /nfs/dbraw/zinc/72/44/48/742724448.db2.gz IESGUJYSCPTDJD-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975312322 742724453 /nfs/dbraw/zinc/72/44/53/742724453.db2.gz IESGUJYSCPTDJD-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000975361178 742752299 /nfs/dbraw/zinc/75/22/99/742752299.db2.gz KZXDWRPIYXQAAV-IKGGRYGDSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000975361178 742752303 /nfs/dbraw/zinc/75/23/03/742752303.db2.gz KZXDWRPIYXQAAV-IKGGRYGDSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000975362880 742753939 /nfs/dbraw/zinc/75/39/39/742753939.db2.gz ULPWHPRQALNXFJ-GJZGRUSLSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000975362880 742753943 /nfs/dbraw/zinc/75/39/43/742753943.db2.gz ULPWHPRQALNXFJ-GJZGRUSLSA-N 1 1 343.431 0.476 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001058926624 751764225 /nfs/dbraw/zinc/76/42/25/751764225.db2.gz AOVNIMLHJOYILH-AWEZNQCLSA-N 1 1 344.419 0.392 20 30 ECEDMO C=CCC[NH+]1CCN(C2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)CC1 ZINC000996787682 742863499 /nfs/dbraw/zinc/86/34/99/742863499.db2.gz SEWNCSDFBZYUBI-UYSNPLJNSA-N 1 1 349.479 0.289 20 30 ECEDMO N#CCN1CC[NH+](C2CCC(NC(=O)Cc3cnc[nH]3)CC2)CC1 ZINC000996790367 742869199 /nfs/dbraw/zinc/86/91/99/742869199.db2.gz WQXPXYUQYHQSAN-UHFFFAOYSA-N 1 1 330.436 0.521 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)cn1 ZINC001028938760 742930665 /nfs/dbraw/zinc/93/06/65/742930665.db2.gz WCJJLRVUYMKZKT-HNNXBMFYSA-N 1 1 340.427 0.737 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4COC(=O)N4)[C@@H]3C2)c1 ZINC001075751660 743061049 /nfs/dbraw/zinc/06/10/49/743061049.db2.gz QWPBPZZICVZAQD-ARFHVFGLSA-N 1 1 340.383 0.699 20 30 ECEDMO CN(C)c1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000983421166 743107819 /nfs/dbraw/zinc/10/78/19/743107819.db2.gz ALOCDNFLUDXWKL-UMSPYCQHSA-N 1 1 343.391 0.634 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn[nH]2)C1 ZINC001111601360 743121148 /nfs/dbraw/zinc/12/11/48/743121148.db2.gz XNOFZZHMPWEYLO-IGCXYCKISA-N 1 1 331.420 0.685 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997063102 743187113 /nfs/dbraw/zinc/18/71/13/743187113.db2.gz HDPBSWZLHDKHJE-DFMSXVKSSA-N 1 1 347.459 0.779 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([NH2+]Cc3noc(CC)n3)CC2)nn1 ZINC000997072705 743197629 /nfs/dbraw/zinc/19/76/29/743197629.db2.gz AMPHEXFZAQIMDX-UHFFFAOYSA-N 1 1 345.407 0.804 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)C1 ZINC000975719081 743262763 /nfs/dbraw/zinc/26/27/63/743262763.db2.gz POBXUELFKYFXJG-ULQDDVLXSA-N 1 1 329.444 0.801 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C1 ZINC000975812077 743330535 /nfs/dbraw/zinc/33/05/35/743330535.db2.gz YFMOKHBBDOCVQZ-SNPRPXQTSA-N 1 1 329.404 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1cocn1 ZINC000975854283 743356536 /nfs/dbraw/zinc/35/65/36/743356536.db2.gz PKOUEGGURKYCLQ-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1cocn1 ZINC000975854283 743356545 /nfs/dbraw/zinc/35/65/45/743356545.db2.gz PKOUEGGURKYCLQ-HOCLYGCPSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCCC1 ZINC000976045750 743483967 /nfs/dbraw/zinc/48/39/67/743483967.db2.gz VEGVKUYSWMFATO-VVLHAWIVSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCCC1 ZINC000976045750 743483969 /nfs/dbraw/zinc/48/39/69/743483969.db2.gz VEGVKUYSWMFATO-VVLHAWIVSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)no1 ZINC000976157126 743616997 /nfs/dbraw/zinc/61/69/97/743616997.db2.gz OCFKOHGXAUVTKK-KNCOVGOOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)no1 ZINC000976157126 743617001 /nfs/dbraw/zinc/61/70/01/743617001.db2.gz OCFKOHGXAUVTKK-KNCOVGOOSA-N 1 1 342.399 0.267 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001027329727 743759612 /nfs/dbraw/zinc/75/96/12/743759612.db2.gz BLEQHHHVASQCHG-STQMWFEESA-N 1 1 349.435 0.399 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@@]2(C)C1 ZINC000982283415 751862945 /nfs/dbraw/zinc/86/29/45/751862945.db2.gz RPXMXNXKIMMWBB-CALCHBBNSA-N 1 1 346.435 0.124 20 30 ECEDMO C#Cc1cncc(C(=O)N(CC)[C@H]2CCC[N@H+](CC(N)=O)CC2)c1 ZINC000998117592 743987028 /nfs/dbraw/zinc/98/70/28/743987028.db2.gz SCSYCSHWGSWIPH-INIZCTEOSA-N 1 1 328.416 0.865 20 30 ECEDMO C#Cc1cncc(C(=O)N(CC)[C@H]2CCC[N@@H+](CC(N)=O)CC2)c1 ZINC000998117592 743987029 /nfs/dbraw/zinc/98/70/29/743987029.db2.gz SCSYCSHWGSWIPH-INIZCTEOSA-N 1 1 328.416 0.865 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@@]2(C)C1 ZINC000982287965 751877932 /nfs/dbraw/zinc/87/79/32/751877932.db2.gz QYPNPRXPWLIIOU-HDICACEKSA-N 1 1 344.463 0.774 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000998194771 744042992 /nfs/dbraw/zinc/04/29/92/744042992.db2.gz FKVOFSYYCIZPTH-GJZGRUSLSA-N 1 1 341.477 0.404 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000976533185 744057439 /nfs/dbraw/zinc/05/74/39/744057439.db2.gz PAJHWPOVIYLMIP-LJIGWXMPSA-N 1 1 342.443 0.812 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976595016 744120100 /nfs/dbraw/zinc/12/01/00/744120100.db2.gz LWIDIVBCVWOAQE-QROFKTNTSA-N 1 1 347.459 0.492 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001020604554 751890878 /nfs/dbraw/zinc/89/08/78/751890878.db2.gz CTXIKKDJZJSOIF-SYQHCUMBSA-N 1 1 334.424 0.411 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)CC[N@H+]1C ZINC000976604744 744129658 /nfs/dbraw/zinc/12/96/58/744129658.db2.gz RGLDKMPYLRSECH-ZNFSNMQZSA-N 1 1 329.444 0.703 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000976645446 744175565 /nfs/dbraw/zinc/17/55/65/744175565.db2.gz HBETXQLFQFHFMS-LJIZCISZSA-N 1 1 347.459 0.635 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001058773308 744176930 /nfs/dbraw/zinc/17/69/30/744176930.db2.gz DPYOEZIZCRWNKK-HUUCEWRRSA-N 1 1 337.464 0.620 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CCO1 ZINC001027408774 744226894 /nfs/dbraw/zinc/22/68/94/744226894.db2.gz XRLLFINSLOKLEV-NVXWUHKLSA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CCO1 ZINC001027408774 744226896 /nfs/dbraw/zinc/22/68/96/744226896.db2.gz XRLLFINSLOKLEV-NVXWUHKLSA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CC([NH2+]Cc2nnnn2C2CC2)C1 ZINC000998605768 744251721 /nfs/dbraw/zinc/25/17/21/744251721.db2.gz ZDCNWIYJXPUZKT-UHFFFAOYSA-N 1 1 340.391 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@H]21 ZINC000976738979 744265059 /nfs/dbraw/zinc/26/50/59/744265059.db2.gz GITXKGBUFSDKPW-ZUWCUPBKSA-N 1 1 337.370 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@H]21 ZINC000976738979 744265062 /nfs/dbraw/zinc/26/50/62/744265062.db2.gz GITXKGBUFSDKPW-ZUWCUPBKSA-N 1 1 337.370 0.312 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000976757344 744272746 /nfs/dbraw/zinc/27/27/46/744272746.db2.gz TVYBPOCJVSJZIW-LJIZCISZSA-N 1 1 349.475 0.881 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000976757344 744272749 /nfs/dbraw/zinc/27/27/49/744272749.db2.gz TVYBPOCJVSJZIW-LJIZCISZSA-N 1 1 349.475 0.881 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNc2ccc(C#N)nn2)C1 ZINC001114946843 751905254 /nfs/dbraw/zinc/90/52/54/751905254.db2.gz UYIDQNJYLGTEMX-DZGCQCFKSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCCNc2ccc(C#N)nn2)C1 ZINC001114946843 751905259 /nfs/dbraw/zinc/90/52/59/751905259.db2.gz UYIDQNJYLGTEMX-DZGCQCFKSA-N 1 1 346.435 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC23CC3)[C@H]1C ZINC001020628888 751915566 /nfs/dbraw/zinc/91/55/66/751915566.db2.gz VXZLSTMCVDEOEO-VGWMRTNUSA-N 1 1 329.444 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC23CC3)[C@H]1C ZINC001020628888 751915573 /nfs/dbraw/zinc/91/55/73/751915573.db2.gz VXZLSTMCVDEOEO-VGWMRTNUSA-N 1 1 329.444 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2csnn2)C1 ZINC000998923926 744408174 /nfs/dbraw/zinc/40/81/74/744408174.db2.gz ZGPBGEFFMIHVIN-ZALBZXLWSA-N 1 1 333.461 0.715 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2csnn2)C1 ZINC000998923926 744408178 /nfs/dbraw/zinc/40/81/78/744408178.db2.gz ZGPBGEFFMIHVIN-ZALBZXLWSA-N 1 1 333.461 0.715 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001006867582 751916914 /nfs/dbraw/zinc/91/69/14/751916914.db2.gz XSICUUZYQDIBIO-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001006867582 751916919 /nfs/dbraw/zinc/91/69/19/751916919.db2.gz XSICUUZYQDIBIO-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000999318504 744622407 /nfs/dbraw/zinc/62/24/07/744622407.db2.gz VHMQIKDNXRAPCT-MRXNPFEDSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)C3=NC(=O)N(C)C3)C2)C1=O ZINC000999353010 744645945 /nfs/dbraw/zinc/64/59/45/744645945.db2.gz YDSBPTGZSFGUDO-WXRRBKDZSA-N 1 1 347.419 0.105 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CC([NH2+][C@@H](C)c3nnnn3C)C2)c1 ZINC000999375626 744664910 /nfs/dbraw/zinc/66/49/10/744664910.db2.gz ITOIDSFXCLWLEP-QGLTVNCISA-N 1 1 339.403 0.540 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001027470855 744673127 /nfs/dbraw/zinc/67/31/27/744673127.db2.gz QKXDJDRMFQPMLD-GFCCVEGCSA-N 1 1 327.816 0.257 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001027470855 744673130 /nfs/dbraw/zinc/67/31/30/744673130.db2.gz QKXDJDRMFQPMLD-GFCCVEGCSA-N 1 1 327.816 0.257 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3nnc(CC)o3)C2)nn1 ZINC000999523606 744737438 /nfs/dbraw/zinc/73/74/38/744737438.db2.gz PSXADRWWCXOQJE-UHFFFAOYSA-N 1 1 345.407 0.802 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999540601 744747929 /nfs/dbraw/zinc/74/79/29/744747929.db2.gz XWBREUSSERPYOQ-UAOKOLBASA-N 1 1 333.436 0.875 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1 ZINC000977205565 744764976 /nfs/dbraw/zinc/76/49/76/744764976.db2.gz VYNKZWAXBFBEQZ-HVOFVXBASA-N 1 1 341.415 0.415 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1 ZINC000977201771 744780863 /nfs/dbraw/zinc/78/08/63/744780863.db2.gz DOWXXADNTZYWCV-CVGURMSBSA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ocnc2C2CC2)C1 ZINC000999834256 744929688 /nfs/dbraw/zinc/92/96/88/744929688.db2.gz HOKWUVKVCDNFBK-AWEZNQCLSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ocnc2C2CC2)C1 ZINC000999834256 744929689 /nfs/dbraw/zinc/92/96/89/744929689.db2.gz HOKWUVKVCDNFBK-AWEZNQCLSA-N 1 1 342.399 0.590 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000977464784 745050330 /nfs/dbraw/zinc/05/03/30/745050330.db2.gz QFXBPCYWLVDWFG-LBPRGKRZSA-N 1 1 330.392 0.434 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)on3)nn2)C1 ZINC000999942895 745076703 /nfs/dbraw/zinc/07/67/03/745076703.db2.gz JSUZOLMTQBLQPG-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C)cn3)nn2)C1 ZINC000999949293 745085936 /nfs/dbraw/zinc/08/59/36/745085936.db2.gz HYFNVQDWSKPAFO-AWEZNQCLSA-N 1 1 325.376 0.187 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 ZINC000999956082 745095706 /nfs/dbraw/zinc/09/57/06/745095706.db2.gz NBLIESOKJDVOGP-LSDHHAIUSA-N 1 1 335.408 0.133 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)[nH]3)nn2)C1 ZINC000999961707 745103459 /nfs/dbraw/zinc/10/34/59/745103459.db2.gz IVBDQLOPBKNIOQ-CQSZACIVSA-N 1 1 327.392 0.510 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)C3=COCCC3)nn2)C1 ZINC000999961736 745104813 /nfs/dbraw/zinc/10/48/13/745104813.db2.gz JHAJATXBDTWKEG-MRXNPFEDSA-N 1 1 329.404 0.859 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999964185 745108125 /nfs/dbraw/zinc/10/81/25/745108125.db2.gz VWYMLYMIPGCHAU-HOTGVXAUSA-N 1 1 330.436 0.259 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999964185 745108127 /nfs/dbraw/zinc/10/81/27/745108127.db2.gz VWYMLYMIPGCHAU-HOTGVXAUSA-N 1 1 330.436 0.259 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cccn3C)nn2)C1 ZINC000999964748 745109659 /nfs/dbraw/zinc/10/96/59/745109659.db2.gz DFHKWNAWSNNBCZ-OAHLLOKOSA-N 1 1 326.404 0.817 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC2(C)C)cn1 ZINC000977520128 745112695 /nfs/dbraw/zinc/11/26/95/745112695.db2.gz BKNVGAJXQOWFJY-JKSUJKDBSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC2(C)C)cn1 ZINC000977520128 745112696 /nfs/dbraw/zinc/11/26/96/745112696.db2.gz BKNVGAJXQOWFJY-JKSUJKDBSA-N 1 1 340.427 0.782 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC000999970668 745118233 /nfs/dbraw/zinc/11/82/33/745118233.db2.gz DBYALKBSYORTKO-XHDPSFHLSA-N 1 1 343.391 0.035 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(OC)no3)nn2)C1 ZINC000999973438 745121864 /nfs/dbraw/zinc/12/18/64/745121864.db2.gz FVJODDQPVFWWPG-GFCCVEGCSA-N 1 1 332.364 0.638 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nccn3CC)nn2)C1 ZINC000999982675 745134581 /nfs/dbraw/zinc/13/45/81/745134581.db2.gz GCNMSKZTOCWTII-AWEZNQCLSA-N 1 1 327.392 0.305 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCOCC3)nn2)C1 ZINC000999986533 745140958 /nfs/dbraw/zinc/14/09/58/745140958.db2.gz TVRMXTZBTPJTKY-WBVHZDCISA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC(=O)N(C)C3)nn2)C1 ZINC000999986664 745141166 /nfs/dbraw/zinc/14/11/66/745141166.db2.gz JVBQTJRICQFOJE-DZGCQCFKSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999987971 745143451 /nfs/dbraw/zinc/14/34/51/745143451.db2.gz RQUIBDDTCLTRSN-IAGOWNOFSA-N 1 1 342.447 0.116 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 ZINC000999991316 745148564 /nfs/dbraw/zinc/14/85/64/745148564.db2.gz MSDHNSGXHOXLBR-CYBMUJFWSA-N 1 1 330.396 0.160 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(CC)n3)nn2)C1 ZINC000999993914 745152937 /nfs/dbraw/zinc/15/29/37/745152937.db2.gz WYYFQSIPFATDFB-AWEZNQCLSA-N 1 1 342.407 0.090 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999995452 745154579 /nfs/dbraw/zinc/15/45/79/745154579.db2.gz GHFJPUNULYPDIC-IRXDYDNUSA-N 1 1 344.463 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 ZINC000999995452 745154580 /nfs/dbraw/zinc/15/45/80/745154580.db2.gz GHFJPUNULYPDIC-IRXDYDNUSA-N 1 1 344.463 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc4cc[nH]c4c3)nn2)C1 ZINC000999996859 745156555 /nfs/dbraw/zinc/15/65/55/745156555.db2.gz KGLXQEQKJYNXDP-HNNXBMFYSA-N 1 1 349.398 0.964 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)ccc3=O)nn2)C1 ZINC001000003901 745169246 /nfs/dbraw/zinc/16/92/46/745169246.db2.gz RCCHBCULJVYXBY-AWEZNQCLSA-N 1 1 342.403 0.340 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)nn2)C1 ZINC001000008639 745176023 /nfs/dbraw/zinc/17/60/23/745176023.db2.gz JQZBLLKDXIMURQ-CAOSSQGBSA-N 1 1 329.404 0.057 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001000017616 745188070 /nfs/dbraw/zinc/18/80/70/745188070.db2.gz RGSSZEGAOWUECF-PMPSAXMXSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccnc3OC)nn2)C1 ZINC001000021671 745193033 /nfs/dbraw/zinc/19/30/33/745193033.db2.gz RULMSSIFABFHDD-AWEZNQCLSA-N 1 1 340.387 0.492 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C(N)=O)[nH]3)nn2)C1 ZINC001000023522 745194438 /nfs/dbraw/zinc/19/44/38/745194438.db2.gz CVRVZABXNFNRNI-GFCCVEGCSA-N 1 1 343.391 0.068 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C4CC4)n[nH]3)nn2)C1 ZINC001000026188 745197597 /nfs/dbraw/zinc/19/75/97/745197597.db2.gz SUGDIGRBEVCLRU-CQSZACIVSA-N 1 1 339.403 0.689 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001000026744 745198496 /nfs/dbraw/zinc/19/84/96/745198496.db2.gz BWXSLSQDVSPUIH-CYBMUJFWSA-N 1 1 347.810 0.997 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001000026744 745198500 /nfs/dbraw/zinc/19/85/00/745198500.db2.gz BWXSLSQDVSPUIH-CYBMUJFWSA-N 1 1 347.810 0.997 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C(N)=O)c[nH]3)nn2)C1 ZINC001000026487 745198636 /nfs/dbraw/zinc/19/86/36/745198636.db2.gz ARXCGIIMTXOCSW-ZDUSSCGKSA-N 1 1 343.391 0.068 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc4cccnn43)nn2)C1 ZINC001000028248 745200931 /nfs/dbraw/zinc/20/09/31/745200931.db2.gz CMAZVEJUVPRVCX-MRXNPFEDSA-N 1 1 349.398 0.736 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cn([C@H]3CC[N@H+](C(C)C)C3)nn2)nn1 ZINC001000034578 745210518 /nfs/dbraw/zinc/21/05/18/745210518.db2.gz XCMAXVYBTQBTMF-AWEZNQCLSA-N 1 1 344.423 0.641 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnccn3)[C@H]2CC)C1=O ZINC001087490141 745219850 /nfs/dbraw/zinc/21/98/50/745219850.db2.gz IMOGTOSAZNCJNQ-NUEKZKHPSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnccn3)[C@H]2CC)C1=O ZINC001087490141 745219855 /nfs/dbraw/zinc/21/98/55/745219855.db2.gz IMOGTOSAZNCJNQ-NUEKZKHPSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCN(C(C)=O)C3)nn2)C1 ZINC001000042760 745222081 /nfs/dbraw/zinc/22/20/81/745222081.db2.gz HDMSKOGDPMSLNZ-HOCLYGCPSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC(=O)N(C)C3)nn2)C1 ZINC001000042447 745222281 /nfs/dbraw/zinc/22/22/81/745222281.db2.gz MBWYOBRFKVDXSF-HIFRSBDPSA-N 1 1 346.435 0.196 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC000977583375 745242537 /nfs/dbraw/zinc/24/25/37/745242537.db2.gz HINMNXRKCLGLRT-HNNXBMFYSA-N 1 1 340.387 0.764 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000977604050 745255828 /nfs/dbraw/zinc/25/58/28/745255828.db2.gz PYLORYCEUHSTSM-STQMWFEESA-N 1 1 329.466 0.471 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)NC(=O)C3CCC3)C2)nn1 ZINC001105384963 745259339 /nfs/dbraw/zinc/25/93/39/745259339.db2.gz QWNUWEYAOKJMKU-GFCCVEGCSA-N 1 1 346.435 0.242 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CCCOC)C1 ZINC001059234221 745295540 /nfs/dbraw/zinc/29/55/40/745295540.db2.gz KFCLCCVQYYIETH-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CCCOC)C1 ZINC001059234221 745295542 /nfs/dbraw/zinc/29/55/42/745295542.db2.gz KFCLCCVQYYIETH-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001000192564 745328185 /nfs/dbraw/zinc/32/81/85/745328185.db2.gz DNIBLSJFIRPILC-AWEZNQCLSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001006944094 751994390 /nfs/dbraw/zinc/99/43/90/751994390.db2.gz CRNXYROEYYGQCG-HIFRSBDPSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001006944094 751994392 /nfs/dbraw/zinc/99/43/92/751994392.db2.gz CRNXYROEYYGQCG-HIFRSBDPSA-N 1 1 331.420 0.699 20 30 ECEDMO N#CCN1CCC(C2(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CC2)CC1 ZINC001000216295 745353622 /nfs/dbraw/zinc/35/36/22/745353622.db2.gz VJEZXVIPCZIIOF-BFHRDPOASA-N 1 1 344.459 0.734 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001000242808 745380178 /nfs/dbraw/zinc/38/01/78/745380178.db2.gz UNFDTXFOFNLDQM-KFWWJZLASA-N 1 1 348.451 0.755 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]2O)[nH]1 ZINC001083413485 745488027 /nfs/dbraw/zinc/48/80/27/745488027.db2.gz QMJDQNGCNVJYLG-MAZHCROVSA-N 1 1 332.404 0.478 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nonc3C)C2)nn1 ZINC001000424484 745489463 /nfs/dbraw/zinc/48/94/63/745489463.db2.gz GIGYBQJHYDTJCR-CYBMUJFWSA-N 1 1 345.407 0.940 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccn[nH]3)[C@H]2CC)C1=O ZINC001087507079 745490933 /nfs/dbraw/zinc/49/09/33/745490933.db2.gz DMRCKMCEQUZRDN-CFVMTHIKSA-N 1 1 331.420 0.779 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001000428474 745492209 /nfs/dbraw/zinc/49/22/09/745492209.db2.gz UCWAQOVPFYGHJY-DZKIICNBSA-N 1 1 333.436 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CC1(O)CCC1 ZINC000977915056 745669202 /nfs/dbraw/zinc/66/92/02/745669202.db2.gz AOTHKEADSPHLFR-CVEARBPZSA-N 1 1 347.459 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CC1(O)CCC1 ZINC000977915056 745669205 /nfs/dbraw/zinc/66/92/05/745669205.db2.gz AOTHKEADSPHLFR-CVEARBPZSA-N 1 1 347.459 0.448 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977976384 745736006 /nfs/dbraw/zinc/73/60/06/745736006.db2.gz LDNFGQMGHNWFRC-FBUXBERBSA-N 1 1 341.415 0.461 20 30 ECEDMO N#CCN1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001000776846 745758948 /nfs/dbraw/zinc/75/89/48/745758948.db2.gz LXXAYQJTOPSIHL-KRWDZBQOSA-N 1 1 332.448 0.902 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nnc(C)o1 ZINC001029342647 745759663 /nfs/dbraw/zinc/75/96/63/745759663.db2.gz YVGQEZGVLXTSIY-XHSDSOJGSA-N 1 1 343.431 0.651 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nnc(C)o1 ZINC001029342647 745759667 /nfs/dbraw/zinc/75/96/67/745759667.db2.gz YVGQEZGVLXTSIY-XHSDSOJGSA-N 1 1 343.431 0.651 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cnnn1C ZINC001087535230 745820212 /nfs/dbraw/zinc/82/02/12/745820212.db2.gz YQQSVGVTWYPNHK-DZGCQCFKSA-N 1 1 327.392 0.798 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cnnn1C ZINC001087535230 745820216 /nfs/dbraw/zinc/82/02/16/745820216.db2.gz YQQSVGVTWYPNHK-DZGCQCFKSA-N 1 1 327.392 0.798 20 30 ECEDMO N#Cc1nccc(N[C@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC001058939017 752035689 /nfs/dbraw/zinc/03/56/89/752035689.db2.gz VNRNYBPYIKPEEV-GUYCJALGSA-N 1 1 326.404 0.269 20 30 ECEDMO C#CCN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H]1C ZINC001088574695 752044202 /nfs/dbraw/zinc/04/42/02/752044202.db2.gz KWLIXDQAIHNTFM-BGTYHANMSA-N 1 1 333.476 0.946 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)nc1 ZINC000978098824 745915352 /nfs/dbraw/zinc/91/53/52/745915352.db2.gz QNFZIBPSCBYAFL-CVEARBPZSA-N 1 1 340.427 0.688 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)n1 ZINC001059325571 745925216 /nfs/dbraw/zinc/92/52/16/745925216.db2.gz OTZKARSEBPIYGT-AVGNSLFASA-N 1 1 337.387 0.603 20 30 ECEDMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)nn1 ZINC000978121677 745933116 /nfs/dbraw/zinc/93/31/16/745933116.db2.gz SBRQBQUMGFABTQ-OSYLJGHBSA-N 1 1 335.411 0.774 20 30 ECEDMO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)cc1C#N ZINC000984148405 745940522 /nfs/dbraw/zinc/94/05/22/745940522.db2.gz MMOIUJGNQVZWAB-MQMHXKEQSA-N 1 1 340.387 0.983 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001000993219 745958738 /nfs/dbraw/zinc/95/87/38/745958738.db2.gz ACXMDZVQMYFCKH-UHFFFAOYSA-N 1 1 339.403 0.995 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC000978128637 745968951 /nfs/dbraw/zinc/96/89/51/745968951.db2.gz JSNHZKCZOZHQLW-MIGQKNRLSA-N 1 1 343.431 0.633 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001007031523 752054699 /nfs/dbraw/zinc/05/46/99/752054699.db2.gz WNOBDRPOIXMINJ-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001007031523 752054708 /nfs/dbraw/zinc/05/47/08/752054708.db2.gz WNOBDRPOIXMINJ-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC=C(CNC(=O)[C@H]3CNC(=O)N3)CC2)s1 ZINC001001114087 746087152 /nfs/dbraw/zinc/08/71/52/746087152.db2.gz GWZSWAVSKAJTJI-CQSZACIVSA-N 1 1 345.428 0.549 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@H]3CNC(=O)N3)CC2)s1 ZINC001001114087 746087160 /nfs/dbraw/zinc/08/71/60/746087160.db2.gz GWZSWAVSKAJTJI-CQSZACIVSA-N 1 1 345.428 0.549 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)[C@@H]1C ZINC001088575681 752060384 /nfs/dbraw/zinc/06/03/84/752060384.db2.gz APVWIRDAWVERAS-WCVJEAGWSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)[C@@H]1C ZINC001088575681 752060393 /nfs/dbraw/zinc/06/03/93/752060393.db2.gz APVWIRDAWVERAS-WCVJEAGWSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1CC ZINC001087593196 746104325 /nfs/dbraw/zinc/10/43/25/746104325.db2.gz UXPIZZCDCUJMNU-UONOGXRCSA-N 1 1 334.420 0.092 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=O)NC2CC2)CC1 ZINC001001162169 746126326 /nfs/dbraw/zinc/12/63/26/746126326.db2.gz BIHKRMPOUFWCDB-CVEARBPZSA-N 1 1 333.432 0.604 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001001162169 746126327 /nfs/dbraw/zinc/12/63/27/746126327.db2.gz BIHKRMPOUFWCDB-CVEARBPZSA-N 1 1 333.432 0.604 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H]1CC ZINC001087635751 746135775 /nfs/dbraw/zinc/13/57/75/746135775.db2.gz NGXUIGHIOJARAL-UONOGXRCSA-N 1 1 342.403 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nnc(C)o3)C[C@H]21 ZINC000978281752 746143851 /nfs/dbraw/zinc/14/38/51/746143851.db2.gz MKFAYPUJECXDLZ-JONQDZQNSA-N 1 1 343.431 0.270 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nnc(C)o3)C[C@H]21 ZINC000978281752 746143856 /nfs/dbraw/zinc/14/38/56/746143856.db2.gz MKFAYPUJECXDLZ-JONQDZQNSA-N 1 1 343.431 0.270 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001001182327 746144760 /nfs/dbraw/zinc/14/47/60/746144760.db2.gz OVQPUIGGRCXJHD-OAHLLOKOSA-N 1 1 330.436 0.950 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1CC ZINC001087640359 746145506 /nfs/dbraw/zinc/14/55/06/746145506.db2.gz ZDJOXINPCMRQFR-WDEREUQCSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1CC ZINC001087640359 746145510 /nfs/dbraw/zinc/14/55/10/746145510.db2.gz ZDJOXINPCMRQFR-WDEREUQCSA-N 1 1 325.390 0.143 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001059349546 746149669 /nfs/dbraw/zinc/14/96/69/746149669.db2.gz JPVPMGSJRXOWAT-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)c4ccccc43)[C@@H]2C1 ZINC000978305403 746152331 /nfs/dbraw/zinc/15/23/31/746152331.db2.gz YHPJIGYMJAVSHE-TVFCKZIOSA-N 1 1 337.423 0.831 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001001225102 746182495 /nfs/dbraw/zinc/18/24/95/746182495.db2.gz CQYKWVASCIULRU-XHSDSOJGSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001027612380 746209713 /nfs/dbraw/zinc/20/97/13/746209713.db2.gz IDQSKFVMCMJBPS-KBPBESRZSA-N 1 1 329.466 0.519 20 30 ECEDMO Cn1cc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)[nH]3)CC2)nn1 ZINC001001320342 746276835 /nfs/dbraw/zinc/27/68/35/746276835.db2.gz JFMIIGCMJUKWSI-UHFFFAOYSA-N 1 1 327.392 0.657 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001007084670 752075940 /nfs/dbraw/zinc/07/59/40/752075940.db2.gz INPYWHVBALGKOM-LSDHHAIUSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001007084670 752075946 /nfs/dbraw/zinc/07/59/46/752075946.db2.gz INPYWHVBALGKOM-LSDHHAIUSA-N 1 1 344.415 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2cnon2)C1 ZINC000984353716 746324564 /nfs/dbraw/zinc/32/45/64/746324564.db2.gz YQKDWLAUYPERER-HIFRSBDPSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2cnon2)C1 ZINC000984353716 746324569 /nfs/dbraw/zinc/32/45/69/746324569.db2.gz YQKDWLAUYPERER-HIFRSBDPSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)C(F)F)C1 ZINC000984349899 746331718 /nfs/dbraw/zinc/33/17/18/746331718.db2.gz JJEUFORRBNUFPY-STQMWFEESA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)C(F)F)C1 ZINC000984349899 746331721 /nfs/dbraw/zinc/33/17/21/746331721.db2.gz JJEUFORRBNUFPY-STQMWFEESA-N 1 1 327.375 0.799 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnon3)C2)C1=O ZINC001027623842 746331784 /nfs/dbraw/zinc/33/17/84/746331784.db2.gz DGPVBBIHIZMQJU-GXTWGEPZSA-N 1 1 333.392 0.393 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007100306 752085631 /nfs/dbraw/zinc/08/56/31/752085631.db2.gz NIPPOXKJMNKFPM-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007100306 752085635 /nfs/dbraw/zinc/08/56/35/752085635.db2.gz NIPPOXKJMNKFPM-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2ccccc2)C1 ZINC001087424225 746444381 /nfs/dbraw/zinc/44/43/81/746444381.db2.gz OURDTLZWQAHWQY-KZNAEPCWSA-N 1 1 342.443 0.815 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2c2ccccc2)C1 ZINC001087424225 746444384 /nfs/dbraw/zinc/44/43/84/746444384.db2.gz OURDTLZWQAHWQY-KZNAEPCWSA-N 1 1 342.443 0.815 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC000978610585 746487590 /nfs/dbraw/zinc/48/75/90/746487590.db2.gz VDVICDOQNRRUED-VQHPVUNQSA-N 1 1 338.411 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)C1=O ZINC001027644823 746491945 /nfs/dbraw/zinc/49/19/45/746491945.db2.gz LUGXTJDGIGPDNK-KBPBESRZSA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)C(C)C)C2)C1=O ZINC001087854408 746507294 /nfs/dbraw/zinc/50/72/94/746507294.db2.gz GNACIHQZBFJMFV-CVEARBPZSA-N 1 1 337.464 0.715 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)s1 ZINC000978660958 746548890 /nfs/dbraw/zinc/54/88/90/746548890.db2.gz BRZKWYPACJGPMQ-FQUUOJAGSA-N 1 1 345.428 0.095 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001027653840 746569854 /nfs/dbraw/zinc/56/98/54/746569854.db2.gz INRTVVGDSAMHBP-UONOGXRCSA-N 1 1 344.415 0.504 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nccc(C)n2)C1 ZINC001001654335 746573612 /nfs/dbraw/zinc/57/36/12/746573612.db2.gz RCYBICHRERVULR-HNNXBMFYSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nccc(C)n2)C1 ZINC001001654335 746573615 /nfs/dbraw/zinc/57/36/15/746573615.db2.gz RCYBICHRERVULR-HNNXBMFYSA-N 1 1 341.415 0.071 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)c1 ZINC000978694827 746590464 /nfs/dbraw/zinc/59/04/64/746590464.db2.gz FIHQJQAZJWBPDL-OSYLJGHBSA-N 1 1 338.411 0.249 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978698282 746593617 /nfs/dbraw/zinc/59/36/17/746593617.db2.gz SDTUWGRQFQAZPK-XBXGTLAGSA-N 1 1 340.387 0.716 20 30 ECEDMO C#CCCCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059397071 746623110 /nfs/dbraw/zinc/62/31/10/746623110.db2.gz LLRWQMXHSRIWTQ-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059397071 746623114 /nfs/dbraw/zinc/62/31/14/746623114.db2.gz LLRWQMXHSRIWTQ-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000978735373 746649580 /nfs/dbraw/zinc/64/95/80/746649580.db2.gz OSLJSPRMOOAOBA-BZPMIXESSA-N 1 1 329.404 0.463 20 30 ECEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3ncn(C)c3=O)C[C@@]2(C)C1 ZINC000982400833 752116509 /nfs/dbraw/zinc/11/65/09/752116509.db2.gz JICCMQXNKJJZFX-HDICACEKSA-N 1 1 347.463 0.718 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)[nH]1 ZINC001087938850 746688896 /nfs/dbraw/zinc/68/88/96/746688896.db2.gz NAHQWOOYONJEEU-XUJVJEKNSA-N 1 1 327.388 0.169 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)cc1 ZINC000978808902 746730092 /nfs/dbraw/zinc/73/00/92/746730092.db2.gz VNWHNUBFMUWVDR-NNZMDNLPSA-N 1 1 328.412 0.989 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cncn4C)C[C@H]32)nn1 ZINC000978822206 746750645 /nfs/dbraw/zinc/75/06/45/746750645.db2.gz WNTRCFVJHLAFIT-QKDCVEJESA-N 1 1 341.419 0.305 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)CC[C@@H]2C1 ZINC001087970222 746767261 /nfs/dbraw/zinc/76/72/61/746767261.db2.gz KPHRVEXTZFADGC-QXSJWSMHSA-N 1 1 335.448 0.494 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000978840902 746767360 /nfs/dbraw/zinc/76/73/60/746767360.db2.gz KIOOZDVRPZXYJT-NRKLIOEPSA-N 1 1 349.475 0.930 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]2C1 ZINC001087977994 746776581 /nfs/dbraw/zinc/77/65/81/746776581.db2.gz GNXURGBUAIQPNJ-CABCVRRESA-N 1 1 344.463 0.774 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3nnn(C(C)(C)C)n3)C[C@@H]2C1 ZINC001087973700 746777758 /nfs/dbraw/zinc/77/77/58/746777758.db2.gz NKYOCQRFJRHTHE-KGLIPLIRSA-N 1 1 330.436 0.845 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000978836721 746782784 /nfs/dbraw/zinc/78/27/84/746782784.db2.gz CNUOGNKSHZATAV-MELADBBJSA-N 1 1 346.435 0.040 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3nccn3C)CC2)nn1 ZINC001001918904 746807491 /nfs/dbraw/zinc/80/74/91/746807491.db2.gz MYZSWVXBKZERCJ-UHFFFAOYSA-N 1 1 343.435 0.840 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000978869658 746821896 /nfs/dbraw/zinc/82/18/96/746821896.db2.gz HKGRLTFNPVCXQH-RJZRQDKASA-N 1 1 343.431 0.851 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(n3cc(C[NH2+]CC(=C)C)nn3)C2)nn1 ZINC001105340875 746839452 /nfs/dbraw/zinc/83/94/52/746839452.db2.gz UNBHDTMNICZIOS-UHFFFAOYSA-N 1 1 342.407 0.418 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000978876687 746842934 /nfs/dbraw/zinc/84/29/34/746842934.db2.gz YGQNCUBMITUSQN-KSWRQPAISA-N 1 1 349.475 0.930 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(-n4cncn4)n3)[C@@H]2C1 ZINC000978899465 746855048 /nfs/dbraw/zinc/85/50/48/746855048.db2.gz LFROWJAMYGKYNJ-QKDCVEJESA-N 1 1 336.399 0.593 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001029480799 746898223 /nfs/dbraw/zinc/89/82/23/746898223.db2.gz LHEZBQHISLFGBY-SEBNEYGDSA-N 1 1 347.415 0.058 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccsn2)C1 ZINC000978949284 746939158 /nfs/dbraw/zinc/93/91/58/746939158.db2.gz FSKQWRSAFARHQK-GUTXKFCHSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccsn2)C1 ZINC000978949284 746939163 /nfs/dbraw/zinc/93/91/63/746939163.db2.gz FSKQWRSAFARHQK-GUTXKFCHSA-N 1 1 346.456 0.865 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027704173 746963799 /nfs/dbraw/zinc/96/37/99/746963799.db2.gz KGAZZGVTVGJTPR-VXGBXAGGSA-N 1 1 327.812 0.715 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027704173 746963807 /nfs/dbraw/zinc/96/38/07/746963807.db2.gz KGAZZGVTVGJTPR-VXGBXAGGSA-N 1 1 327.812 0.715 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1 ZINC001002086201 746964048 /nfs/dbraw/zinc/96/40/48/746964048.db2.gz QQADWICMAIHUJJ-ZCDTZLGTSA-N 1 1 341.415 0.700 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1 ZINC000978965277 746965881 /nfs/dbraw/zinc/96/58/81/746965881.db2.gz HSWHFDBSEQNGSS-QKDCVEJESA-N 1 1 329.404 0.170 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC000978979016 746988450 /nfs/dbraw/zinc/98/84/50/746988450.db2.gz XFOALJPEFGQGCM-QCEMKRCNSA-N 1 1 329.400 0.382 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccc(OC)nn43)C[C@@H]2C1 ZINC001088017518 747069157 /nfs/dbraw/zinc/06/91/57/747069157.db2.gz FJLBVTHAXPOZOJ-KGLIPLIRSA-N 1 1 339.399 0.765 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC000984901863 747081136 /nfs/dbraw/zinc/08/11/36/747081136.db2.gz BCMGCUPXUYWMQE-YXWQFLTLSA-N 1 1 348.451 0.566 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@@H]2C1 ZINC001088028303 747104928 /nfs/dbraw/zinc/10/49/28/747104928.db2.gz FNYNGLFTGPNLFN-OCCSQVGLSA-N 1 1 340.383 0.440 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000979079195 747131126 /nfs/dbraw/zinc/13/11/26/747131126.db2.gz AVRSLRMYLIGAKM-JLJPHGGASA-N 1 1 340.427 0.639 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C)Nc1ccnc(C#N)n1)C2 ZINC001098272638 747133201 /nfs/dbraw/zinc/13/32/01/747133201.db2.gz NZEDMZAQTDBALC-AAEUAGOBSA-N 1 1 339.403 0.454 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@@H]2C1 ZINC001088053075 747159842 /nfs/dbraw/zinc/15/98/42/747159842.db2.gz SXBFEGYBKZLNHV-CEXWTWQISA-N 1 1 345.487 0.901 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](OC)c3cnn(C)c3)C[C@@H]2C1 ZINC001088053364 747160737 /nfs/dbraw/zinc/16/07/37/747160737.db2.gz FGFSAWOFISNOKK-PVAVHDDUSA-N 1 1 330.432 0.911 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N(C)C3)[C@@H]2C1 ZINC000979097614 747171314 /nfs/dbraw/zinc/17/13/14/747171314.db2.gz GMDQNXBLXNRZLX-SYQHCUMBSA-N 1 1 325.840 0.901 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(NC(=O)NC)cc3)[C@@H]2C1 ZINC000979109966 747194502 /nfs/dbraw/zinc/19/45/02/747194502.db2.gz BSSSVBHHEVLXEX-PHZGNYQRSA-N 1 1 326.400 0.979 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4nccn4)[C@@H]3C2)cc1 ZINC001075836215 747289648 /nfs/dbraw/zinc/28/96/48/747289648.db2.gz BJMQTVXNDQCFPY-DLBZAZTESA-N 1 1 336.399 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@@H]1CC ZINC000985048543 747302410 /nfs/dbraw/zinc/30/24/10/747302410.db2.gz JJOBENNNMJPCID-TWMKSMIVSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@@H]1CC ZINC000985048543 747302418 /nfs/dbraw/zinc/30/24/18/747302418.db2.gz JJOBENNNMJPCID-TWMKSMIVSA-N 1 1 347.459 0.616 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccccc2)CC1)[C@H]1CCC(=O)N1 ZINC001002462722 747385929 /nfs/dbraw/zinc/38/59/29/747385929.db2.gz UKJYCXXJTFYKIS-QGZVFWFLSA-N 1 1 325.412 0.897 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2cc(C)ncc2C#N)C1 ZINC001105409559 747429672 /nfs/dbraw/zinc/42/96/72/747429672.db2.gz KAINRXOGBWMZPR-KRWDZBQOSA-N 1 1 345.447 0.877 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2cc(C)ncc2C#N)C1 ZINC001105409559 747429674 /nfs/dbraw/zinc/42/96/74/747429674.db2.gz KAINRXOGBWMZPR-KRWDZBQOSA-N 1 1 345.447 0.877 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001002521226 747464580 /nfs/dbraw/zinc/46/45/80/747464580.db2.gz AKZQYCSBRHHEIH-GOSISDBHSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1OC ZINC001211972335 752183819 /nfs/dbraw/zinc/18/38/19/752183819.db2.gz IWKJXGFESLSOCJ-ARFHVFGLSA-N 1 1 336.436 0.680 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1OC ZINC001211972335 752183824 /nfs/dbraw/zinc/18/38/24/752183824.db2.gz IWKJXGFESLSOCJ-ARFHVFGLSA-N 1 1 336.436 0.680 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1OC ZINC001211972336 752183863 /nfs/dbraw/zinc/18/38/63/752183863.db2.gz IWKJXGFESLSOCJ-BZUAXINKSA-N 1 1 336.436 0.680 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1OC ZINC001211972336 752183867 /nfs/dbraw/zinc/18/38/67/752183867.db2.gz IWKJXGFESLSOCJ-BZUAXINKSA-N 1 1 336.436 0.680 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001059497085 747506767 /nfs/dbraw/zinc/50/67/67/747506767.db2.gz IHDWDFZKCGERJO-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001059497085 747506774 /nfs/dbraw/zinc/50/67/74/747506774.db2.gz IHDWDFZKCGERJO-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO Cc1nnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)[nH]1 ZINC000979288411 747541273 /nfs/dbraw/zinc/54/12/73/747541273.db2.gz FWEIDLCBVJAHCH-YGRLFVJLSA-N 1 1 343.391 0.332 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)nn1 ZINC001105342574 747582551 /nfs/dbraw/zinc/58/25/51/747582551.db2.gz LLNXCTJVACPQBU-NVXWUHKLSA-N 1 1 344.463 0.954 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001007212382 752194915 /nfs/dbraw/zinc/19/49/15/752194915.db2.gz ATDZOKJQXHJECR-CVEARBPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001007212382 752194916 /nfs/dbraw/zinc/19/49/16/752194916.db2.gz ATDZOKJQXHJECR-CVEARBPZSA-N 1 1 343.431 0.766 20 30 ECEDMO CC(C)n1cc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 ZINC000979328388 747620216 /nfs/dbraw/zinc/62/02/16/747620216.db2.gz HGEISZBHYOSFHV-PBHICJAKSA-N 1 1 345.447 0.978 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H](C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979328357 747620542 /nfs/dbraw/zinc/62/05/42/747620542.db2.gz HFWMLURCOYBWKN-UKRRQHHQSA-N 1 1 331.420 0.417 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088174555 747676894 /nfs/dbraw/zinc/67/68/94/747676894.db2.gz BBPDLOKXRYANME-CVEARBPZSA-N 1 1 343.427 0.870 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)CC1 ZINC001098722661 747678036 /nfs/dbraw/zinc/67/80/36/747678036.db2.gz PMHLXPXCIPDIQB-MRXNPFEDSA-N 1 1 333.436 0.880 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)[C@@H]1COC(=O)N1 ZINC001002721794 747698998 /nfs/dbraw/zinc/69/89/98/747698998.db2.gz JPQDGRRLSANOKO-INIZCTEOSA-N 1 1 345.374 0.866 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)cc1F ZINC001002723133 747699882 /nfs/dbraw/zinc/69/98/82/747699882.db2.gz PGDOXGNCNVMIHE-OAHLLOKOSA-N 1 1 346.362 0.886 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3ccnn3C)CC2)C1=O ZINC000985327142 747709960 /nfs/dbraw/zinc/70/99/60/747709960.db2.gz YTBAJTOAUQMNEE-HNNXBMFYSA-N 1 1 345.447 0.743 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001088201927 747734019 /nfs/dbraw/zinc/73/40/19/747734019.db2.gz BQLCRRFSGIJKJV-KURKYZTESA-N 1 1 333.476 0.758 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001088201927 747734024 /nfs/dbraw/zinc/73/40/24/747734024.db2.gz BQLCRRFSGIJKJV-KURKYZTESA-N 1 1 333.476 0.758 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000985339010 747739751 /nfs/dbraw/zinc/73/97/51/747739751.db2.gz OXYNESNBHNBQAK-UONOGXRCSA-N 1 1 341.477 0.894 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204907 747741687 /nfs/dbraw/zinc/74/16/87/747741687.db2.gz SLGHYEMHXYRCLU-RDBSUJKOSA-N 1 1 327.450 0.035 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000985339483 747747236 /nfs/dbraw/zinc/74/72/36/747747236.db2.gz VCOLYDDKERUNET-ZIAGYGMSSA-N 1 1 341.477 0.894 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCOCC3)C[C@@H]2C1 ZINC001088208801 747750231 /nfs/dbraw/zinc/75/02/31/747750231.db2.gz SASMHEUQWGWYRD-CEXWTWQISA-N 1 1 345.487 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 ZINC001088232023 747785208 /nfs/dbraw/zinc/78/52/08/747785208.db2.gz FZRMPXCIVFZVRA-IRXDYDNUSA-N 1 1 348.443 0.902 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001088233151 747789980 /nfs/dbraw/zinc/78/99/80/747789980.db2.gz JFOUCAZEEYBTBX-HZPDHXFCSA-N 1 1 349.431 0.448 20 30 ECEDMO NC(=O)C[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001088233794 747794739 /nfs/dbraw/zinc/79/47/39/747794739.db2.gz ZRGDEAVSAAZGHH-MRXNPFEDSA-N 1 1 333.432 0.215 20 30 ECEDMO NC(=O)C[N@H+]1CC[C@@H](OCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001088233794 747794744 /nfs/dbraw/zinc/79/47/44/747794744.db2.gz ZRGDEAVSAAZGHH-MRXNPFEDSA-N 1 1 333.432 0.215 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](OCC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001088234121 747802043 /nfs/dbraw/zinc/80/20/43/747802043.db2.gz JEQRMMJTBVHFPG-INIZCTEOSA-N 1 1 348.451 0.579 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001088234458 747804094 /nfs/dbraw/zinc/80/40/94/747804094.db2.gz SMCXPJOPOHLQMX-OAHLLOKOSA-N 1 1 334.424 0.189 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cncn3C)CC2)C1 ZINC001088234776 747804513 /nfs/dbraw/zinc/80/45/13/747804513.db2.gz BKBHCNLQQDZEAP-MRXNPFEDSA-N 1 1 330.432 0.996 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001088237352 747837559 /nfs/dbraw/zinc/83/75/59/747837559.db2.gz QVWPSPIHIUCZPK-HOTGVXAUSA-N 1 1 348.447 0.021 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001088237423 747839043 /nfs/dbraw/zinc/83/90/43/747839043.db2.gz TXJSFLAPAGFIKQ-AWEZNQCLSA-N 1 1 334.424 0.339 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2ccoc2)C1 ZINC001002830376 747847249 /nfs/dbraw/zinc/84/72/49/747847249.db2.gz QUDMUSPZJLAVAU-INIZCTEOSA-N 1 1 329.400 0.494 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2ccoc2)C1 ZINC001002830376 747847262 /nfs/dbraw/zinc/84/72/62/747847262.db2.gz QUDMUSPZJLAVAU-INIZCTEOSA-N 1 1 329.400 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2[nH]cnc2C)C1 ZINC001002835061 747856277 /nfs/dbraw/zinc/85/62/77/747856277.db2.gz IJGMVLKDITWRCM-AWEZNQCLSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2[nH]cnc2C)C1 ZINC001002835061 747856282 /nfs/dbraw/zinc/85/62/82/747856282.db2.gz IJGMVLKDITWRCM-AWEZNQCLSA-N 1 1 329.404 0.004 20 30 ECEDMO C=C(Br)CN1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027804905 747917530 /nfs/dbraw/zinc/91/75/30/747917530.db2.gz JPSPDCSGIGFMRS-CHWSQXEVSA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(Br)CN1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027804905 747917535 /nfs/dbraw/zinc/91/75/35/747917535.db2.gz JPSPDCSGIGFMRS-CHWSQXEVSA-N 1 1 346.269 0.806 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1 ZINC001007256262 752226975 /nfs/dbraw/zinc/22/69/75/752226975.db2.gz CSUSPHPPGXNGMU-LSDHHAIUSA-N 1 1 328.372 0.747 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027814053 747989407 /nfs/dbraw/zinc/98/94/07/747989407.db2.gz GKRSZBHPGXEZHP-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027814053 747989413 /nfs/dbraw/zinc/98/94/13/747989413.db2.gz GKRSZBHPGXEZHP-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027813465 748005495 /nfs/dbraw/zinc/00/54/95/748005495.db2.gz UFLSKIYGDPAONI-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001029668523 748019297 /nfs/dbraw/zinc/01/92/97/748019297.db2.gz PXNOETXLIQRPIJ-MRXNPFEDSA-N 1 1 349.456 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1=O ZINC000985440363 748028501 /nfs/dbraw/zinc/02/85/01/748028501.db2.gz KNPVNYWFTLCXGK-QOKNQOGYSA-N 1 1 347.459 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3ccon3)C2)C1=O ZINC001029682709 748046457 /nfs/dbraw/zinc/04/64/57/748046457.db2.gz YTGSMOOGZGNZMZ-HOCLYGCPSA-N 1 1 346.431 0.784 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3nnc(C)o3)C2)C1=O ZINC001007270043 752241756 /nfs/dbraw/zinc/24/17/56/752241756.db2.gz XEMKVDXCNZVKAU-ZIAGYGMSSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3nnc(C)o3)C2)C1=O ZINC001007270043 752241761 /nfs/dbraw/zinc/24/17/61/752241761.db2.gz XEMKVDXCNZVKAU-ZIAGYGMSSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)C3=CCOCC3)C2)C1=O ZINC001029714966 748131181 /nfs/dbraw/zinc/13/11/81/748131181.db2.gz KLGMHGQQPGXDEN-RDJZCZTQSA-N 1 1 347.459 0.900 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979664309 748183601 /nfs/dbraw/zinc/18/36/01/748183601.db2.gz IKIGMRFLXACICI-YDHLFZDLSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CCOCC2)C1 ZINC000979674983 748205828 /nfs/dbraw/zinc/20/58/28/748205828.db2.gz XGENRDBXFXIEEH-XIRDDKMYSA-N 1 1 345.443 0.442 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CCOCC2)C1 ZINC000979674983 748205834 /nfs/dbraw/zinc/20/58/34/748205834.db2.gz XGENRDBXFXIEEH-XIRDDKMYSA-N 1 1 345.443 0.442 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985476916 748212467 /nfs/dbraw/zinc/21/24/67/748212467.db2.gz WHWIKKIGRRTWSC-SJORKVTESA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cncn2C)C1 ZINC001029757441 748266880 /nfs/dbraw/zinc/26/68/80/748266880.db2.gz BLWZZRFOUNETNU-AEFFLSMTSA-N 1 1 343.475 0.798 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nnn(C(C)(C)C)n3)C[C@@H]2C1 ZINC000979724340 748291281 /nfs/dbraw/zinc/29/12/81/748291281.db2.gz DPQBJXDAIZBNFL-MJBXVCDLSA-N 1 1 330.436 0.892 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000985500132 748318125 /nfs/dbraw/zinc/31/81/25/748318125.db2.gz IKFPDIIAZONCTH-UHFFFAOYSA-N 1 1 325.390 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(C)=O)C2(C1)CCOCC2 ZINC001020850143 752261017 /nfs/dbraw/zinc/26/10/17/752261017.db2.gz HVADTDPKXOLYHK-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(C)=O)C2(C1)CCOCC2 ZINC001020850143 752261025 /nfs/dbraw/zinc/26/10/25/752261025.db2.gz HVADTDPKXOLYHK-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO CN(C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001027832469 748340819 /nfs/dbraw/zinc/34/08/19/748340819.db2.gz FMFKBVRVZGNKNZ-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001027832469 748340826 /nfs/dbraw/zinc/34/08/26/748340826.db2.gz FMFKBVRVZGNKNZ-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001007298552 752266113 /nfs/dbraw/zinc/26/61/13/752266113.db2.gz BGEQZCZKQGUVMV-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001007298552 752266117 /nfs/dbraw/zinc/26/61/17/752266117.db2.gz BGEQZCZKQGUVMV-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000979790812 748404942 /nfs/dbraw/zinc/40/49/42/748404942.db2.gz KIOOZDVRPZXYJT-MTSZKFMLSA-N 1 1 349.475 0.930 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000985551919 748470321 /nfs/dbraw/zinc/47/03/21/748470321.db2.gz BBKNOFTVWIIQQZ-CQSZACIVSA-N 1 1 329.391 0.508 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001029802948 748484466 /nfs/dbraw/zinc/48/44/66/748484466.db2.gz HGRLBBQJZHNLEG-IRXDYDNUSA-N 1 1 340.427 0.975 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 ZINC000979830664 748486674 /nfs/dbraw/zinc/48/66/74/748486674.db2.gz SYUSBZJMIPBJCX-BRWVUGGUSA-N 1 1 340.427 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(CC)on2)C1 ZINC001003463916 748579986 /nfs/dbraw/zinc/57/99/86/748579986.db2.gz BKVOQYDHDXWYHV-INIZCTEOSA-N 1 1 344.415 0.523 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(CC)on2)C1 ZINC001003463916 748579990 /nfs/dbraw/zinc/57/99/90/748579990.db2.gz BKVOQYDHDXWYHV-INIZCTEOSA-N 1 1 344.415 0.523 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001003469628 748587428 /nfs/dbraw/zinc/58/74/28/748587428.db2.gz JLGCQNGWDWUQTJ-MRXNPFEDSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]2C1 ZINC000979980308 748757618 /nfs/dbraw/zinc/75/76/18/748757618.db2.gz VUCPWCMMRFOXQA-RRFJBIMHSA-N 1 1 328.416 0.850 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000979966769 748758179 /nfs/dbraw/zinc/75/81/79/748758179.db2.gz FSGJXBCHKFGLJX-VQHPVUNQSA-N 1 1 346.475 0.047 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000979967253 748758975 /nfs/dbraw/zinc/75/89/75/748758975.db2.gz JUTGPHSIPKOKOZ-QEJZJMRPSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000979967253 748758980 /nfs/dbraw/zinc/75/89/80/748758980.db2.gz JUTGPHSIPKOKOZ-QEJZJMRPSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC000979968067 748760698 /nfs/dbraw/zinc/76/06/98/748760698.db2.gz QBXSNHACMULAGC-BPUTZDHNSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC000979968067 748760702 /nfs/dbraw/zinc/76/07/02/748760702.db2.gz QBXSNHACMULAGC-BPUTZDHNSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2cnoc2)C1 ZINC000979969111 748762889 /nfs/dbraw/zinc/76/28/89/748762889.db2.gz WFHSEIBGCDRVGC-BPUTZDHNSA-N 1 1 344.415 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2cnoc2)C1 ZINC000979969111 748762890 /nfs/dbraw/zinc/76/28/90/748762890.db2.gz WFHSEIBGCDRVGC-BPUTZDHNSA-N 1 1 344.415 0.326 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001003663913 748772824 /nfs/dbraw/zinc/77/28/24/748772824.db2.gz PWHFSHFDUWJXKK-GFCCVEGCSA-N 1 1 338.843 0.959 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn4c(n3)COCC4)C[C@@H]2C1 ZINC000979984395 748779469 /nfs/dbraw/zinc/77/94/69/748779469.db2.gz GQQSZSMWAXVUHH-ZNMIVQPWSA-N 1 1 328.416 0.877 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC[NH+](Cc3ccnn3C)CC2)nn1 ZINC001003759775 748867145 /nfs/dbraw/zinc/86/71/45/748867145.db2.gz NUMUWJOIXYMQKU-UHFFFAOYSA-N 1 1 329.408 0.592 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1 ZINC001003792769 748901644 /nfs/dbraw/zinc/90/16/44/748901644.db2.gz FOUQIFPACCXRNB-MRXNPFEDSA-N 1 1 333.432 0.084 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 ZINC000980085304 748943432 /nfs/dbraw/zinc/94/34/32/748943432.db2.gz MMFJUXLELJTLJT-ARFHVFGLSA-N 1 1 347.463 0.765 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cnns3)C2)nn1 ZINC001029860188 748963164 /nfs/dbraw/zinc/96/31/64/748963164.db2.gz NSFLMONEWCCNFY-LBPRGKRZSA-N 1 1 347.448 0.910 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cnns3)C2)nn1 ZINC001029860188 748963170 /nfs/dbraw/zinc/96/31/70/748963170.db2.gz NSFLMONEWCCNFY-LBPRGKRZSA-N 1 1 347.448 0.910 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027878489 748982120 /nfs/dbraw/zinc/98/21/20/748982120.db2.gz CMDFJGKHZSVVIZ-ZIAGYGMSSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]2C1 ZINC000980154005 749078531 /nfs/dbraw/zinc/07/85/31/749078531.db2.gz IMSZDINIHUJMSE-XHSDSOJGSA-N 1 1 342.443 0.861 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980156002 749082512 /nfs/dbraw/zinc/08/25/12/749082512.db2.gz GEEPBVXZJMULMH-RRFJBIMHSA-N 1 1 344.415 0.189 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cnc4c(c3)nnn4C)C[C@H]2C1 ZINC000980163128 749094998 /nfs/dbraw/zinc/09/49/98/749094998.db2.gz HZTYONPCXPVDGY-QEJZJMRPSA-N 1 1 338.415 0.827 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001098733383 749105501 /nfs/dbraw/zinc/10/55/01/749105501.db2.gz JGHIMXSNZHZCQM-RDJZCZTQSA-N 1 1 344.463 0.506 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001098733383 749105507 /nfs/dbraw/zinc/10/55/07/749105507.db2.gz JGHIMXSNZHZCQM-RDJZCZTQSA-N 1 1 344.463 0.506 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001059647713 749107851 /nfs/dbraw/zinc/10/78/51/749107851.db2.gz FHCWUBSSWUAITD-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4n[nH]c(=O)n4c3)C[C@H]2C1 ZINC000980180868 749117057 /nfs/dbraw/zinc/11/70/57/749117057.db2.gz BCKSDUUXQRJWJM-AEGPPILISA-N 1 1 339.399 0.898 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 ZINC000980181561 749117986 /nfs/dbraw/zinc/11/79/86/749117986.db2.gz DVEPGERCGRPRSQ-CFVMTHIKSA-N 1 1 333.432 0.832 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC000980192458 749125462 /nfs/dbraw/zinc/12/54/62/749125462.db2.gz MYHNBIUHWISYQL-ARFHVFGLSA-N 1 1 338.473 0.661 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCCO)C[C@H]3C2)nn1 ZINC000980192535 749125724 /nfs/dbraw/zinc/12/57/24/749125724.db2.gz UKDCNNPTEALGHD-RBSFLKMASA-N 1 1 333.436 0.677 20 30 ECEDMO C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027888747 749126773 /nfs/dbraw/zinc/12/67/73/749126773.db2.gz YWQLANONYVWGQZ-KURKYZTESA-N 1 1 333.476 0.947 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(=O)NC)C[C@H]3C2)nn1 ZINC000980183028 749130481 /nfs/dbraw/zinc/13/04/81/749130481.db2.gz DXDWRAVXRUKHOJ-MGPQQGTHSA-N 1 1 346.435 0.040 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1cnc(C#N)cn1 ZINC001126254217 749131535 /nfs/dbraw/zinc/13/15/35/749131535.db2.gz DTMQTDUPHFJCIG-AWEZNQCLSA-N 1 1 332.408 0.011 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)[C@H](C)C(N)=O)CC2)CC1 ZINC000985803745 749137743 /nfs/dbraw/zinc/13/77/43/749137743.db2.gz JAKMEOKEXKXVQH-CQSZACIVSA-N 1 1 334.464 0.128 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000985804358 749141445 /nfs/dbraw/zinc/14/14/45/749141445.db2.gz OMWFTGKFMMVXRL-UHFFFAOYSA-N 1 1 348.451 0.479 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccnc4nc(C)nn43)C[C@@H]2C1 ZINC000980207449 749185296 /nfs/dbraw/zinc/18/52/96/749185296.db2.gz JOZCRDMOZCGWEO-ZNMIVQPWSA-N 1 1 338.415 0.896 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]2C1 ZINC000980210301 749189657 /nfs/dbraw/zinc/18/96/57/749189657.db2.gz XORDTUPAOFRSCB-AVGNSLFASA-N 1 1 342.403 0.434 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)ccc3=O)C[C@@H]2C1 ZINC000980205091 749199355 /nfs/dbraw/zinc/19/93/55/749199355.db2.gz APQBZVIIRRWRQY-GVDBMIGSSA-N 1 1 342.443 0.792 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)C[C@H]2C1 ZINC000980213967 749208083 /nfs/dbraw/zinc/20/80/83/749208083.db2.gz YNXVGOGGZZBVDT-QEJZJMRPSA-N 1 1 328.416 0.967 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]2C1 ZINC000980237838 749240751 /nfs/dbraw/zinc/24/07/51/749240751.db2.gz SUNHWDKBILAXQE-IHRRRGAJSA-N 1 1 346.431 0.167 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 ZINC000980240547 749244899 /nfs/dbraw/zinc/24/48/99/749244899.db2.gz DIZFGCZSFBJXPC-MJBXVCDLSA-N 1 1 334.420 0.331 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC000980243670 749248624 /nfs/dbraw/zinc/24/86/24/749248624.db2.gz KANHSZXKVFFCAL-MJBXVCDLSA-N 1 1 343.431 0.982 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3C2)CC1 ZINC000980254144 749260527 /nfs/dbraw/zinc/26/05/27/749260527.db2.gz MRUSXDCFXRDYGD-GVDBMIGSSA-N 1 1 346.475 0.034 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098632347 749335443 /nfs/dbraw/zinc/33/54/43/749335443.db2.gz BFBNATQFMCOHMA-UKRRQHHQSA-N 1 1 337.424 0.115 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)c3nonc3C)CC2)C1=O ZINC001004267075 749368347 /nfs/dbraw/zinc/36/83/47/749368347.db2.gz PGAGIQPQAHDYSX-ZDUSSCGKSA-N 1 1 333.392 0.359 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCCNC3=O)C2)nc1 ZINC001029889793 749445691 /nfs/dbraw/zinc/44/56/91/749445691.db2.gz PCHJLFUWXCHRBF-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC000986079970 749488439 /nfs/dbraw/zinc/48/84/39/749488439.db2.gz NWZMICQVUGCHSE-IKGGRYGDSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001004453964 749518739 /nfs/dbraw/zinc/51/87/39/749518739.db2.gz YODUBWLWNXYTJN-INIZCTEOSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001004503766 749576049 /nfs/dbraw/zinc/57/60/49/749576049.db2.gz ZDBMXWCJJKZNKH-MRXNPFEDSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3nonc3C)C2)C1=O ZINC001029914687 749589133 /nfs/dbraw/zinc/58/91/33/749589133.db2.gz AVFXNABDPZQRMW-ZIAGYGMSSA-N 1 1 347.419 0.559 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC000986138753 749603839 /nfs/dbraw/zinc/60/38/39/749603839.db2.gz YCMKBAJGTBIFBE-SJORKVTESA-N 1 1 340.427 0.912 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC001027937667 749617419 /nfs/dbraw/zinc/61/74/19/749617419.db2.gz WQZGCZBJGCKNFI-UKRRQHHQSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001027937667 749617423 /nfs/dbraw/zinc/61/74/23/749617423.db2.gz WQZGCZBJGCKNFI-UKRRQHHQSA-N 1 1 344.415 0.674 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000980473828 749624476 /nfs/dbraw/zinc/62/44/76/749624476.db2.gz WUPQNPWKMVVCTK-XIRDDKMYSA-N 1 1 340.427 0.782 20 30 ECEDMO C[C@H]1[C@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000986189326 749647885 /nfs/dbraw/zinc/64/78/85/749647885.db2.gz WMMRVZFDWCLNTP-WCQYABFASA-N 1 1 345.382 0.840 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001004620053 749697820 /nfs/dbraw/zinc/69/78/20/749697820.db2.gz FVZXBXMNCKEXAV-HNNXBMFYSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004634915 749714557 /nfs/dbraw/zinc/71/45/57/749714557.db2.gz OUEOEYCAURVQEL-HOTGVXAUSA-N 1 1 345.443 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c(C)ncn2C)C1=O ZINC001027953197 749826275 /nfs/dbraw/zinc/82/62/75/749826275.db2.gz YRNDNUKRUKBESW-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c(C)ncn2C)C1=O ZINC001027953197 749826279 /nfs/dbraw/zinc/82/62/79/749826279.db2.gz YRNDNUKRUKBESW-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC000986399017 749886052 /nfs/dbraw/zinc/88/60/52/749886052.db2.gz NABDYODMSGTRSC-XHSDSOJGSA-N 1 1 348.447 0.175 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnc[nH]c2=O)C1=O ZINC001027958431 749892847 /nfs/dbraw/zinc/89/28/47/749892847.db2.gz ICDBBMASAGIVEN-GXTWGEPZSA-N 1 1 345.403 0.163 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1C ZINC001004880878 749990064 /nfs/dbraw/zinc/99/00/64/749990064.db2.gz ZLFKNIDWQGIIPM-BBRMVZONSA-N 1 1 328.416 0.958 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)n1 ZINC001059726304 750042392 /nfs/dbraw/zinc/04/23/92/750042392.db2.gz VIUYJUCKCDBQSA-XQLPTFJDSA-N 1 1 340.431 0.704 20 30 ECEDMO Cn1ncc(C[N@H+](C)CC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001029956465 750069255 /nfs/dbraw/zinc/06/92/55/750069255.db2.gz SLBWDHVJWPVZBC-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1ncc(C[N@@H+](C)CC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001029956465 750069266 /nfs/dbraw/zinc/06/92/66/750069266.db2.gz SLBWDHVJWPVZBC-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001030182381 762009196 /nfs/dbraw/zinc/00/91/96/762009196.db2.gz KLPVAFJRYNOSLU-MRXNPFEDSA-N 1 1 332.379 0.328 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001030182381 762009206 /nfs/dbraw/zinc/00/92/06/762009206.db2.gz KLPVAFJRYNOSLU-MRXNPFEDSA-N 1 1 332.379 0.328 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058847400 750125882 /nfs/dbraw/zinc/12/58/82/750125882.db2.gz REMCSSCQSTUQKI-HNNXBMFYSA-N 1 1 325.453 0.622 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001098635951 750201687 /nfs/dbraw/zinc/20/16/87/750201687.db2.gz ANYMHBAMAGLASZ-KGLIPLIRSA-N 1 1 330.436 0.951 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(Cc3ccccc3C#N)CC2)C1 ZINC000980893386 750301002 /nfs/dbraw/zinc/30/10/02/750301002.db2.gz KQQCMWNCOGGONH-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCCN(Cc3ccccc3C#N)CC2)C1 ZINC000980893386 750301009 /nfs/dbraw/zinc/30/10/09/750301009.db2.gz KQQCMWNCOGGONH-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC(N)=O ZINC001028009310 750344953 /nfs/dbraw/zinc/34/49/53/750344953.db2.gz JWPBKWMZRVGHAC-CQSZACIVSA-N 1 1 329.400 0.768 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)c1 ZINC000980917504 750352711 /nfs/dbraw/zinc/35/27/11/750352711.db2.gz OBENYBPJWZGMNF-UHFFFAOYSA-N 1 1 330.392 0.059 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)c1 ZINC000980917504 750352716 /nfs/dbraw/zinc/35/27/16/750352716.db2.gz OBENYBPJWZGMNF-UHFFFAOYSA-N 1 1 330.392 0.059 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CC[NH+](Cc2cnnn2C)CC1 ZINC001005260011 750431294 /nfs/dbraw/zinc/43/12/94/750431294.db2.gz MGEPZXNCSNBUEC-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001028059731 750436366 /nfs/dbraw/zinc/43/63/66/750436366.db2.gz BOVFHMAXDSVUHF-GFCCVEGCSA-N 1 1 330.396 0.464 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nccn3CC)[C@H]2C)C1=O ZINC001088546134 750503838 /nfs/dbraw/zinc/50/38/38/750503838.db2.gz RRHCASWEASWRJU-ILXRZTDVSA-N 1 1 345.447 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nccn3CC)[C@H]2C)C1=O ZINC001088546134 750503843 /nfs/dbraw/zinc/50/38/43/750503843.db2.gz RRHCASWEASWRJU-ILXRZTDVSA-N 1 1 345.447 0.883 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+]Cc2nc(C(C)C)no2)nn1 ZINC001167838753 750543468 /nfs/dbraw/zinc/54/34/68/750543468.db2.gz LPFAAGHGJLLIKY-UHFFFAOYSA-N 1 1 333.396 0.880 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)n1 ZINC001028079059 750559297 /nfs/dbraw/zinc/55/92/97/750559297.db2.gz YTINXACTTNRVKM-ZDUSSCGKSA-N 1 1 343.366 0.615 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)n1 ZINC001028079059 750559298 /nfs/dbraw/zinc/55/92/98/750559298.db2.gz YTINXACTTNRVKM-ZDUSSCGKSA-N 1 1 343.366 0.615 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088549832 750632854 /nfs/dbraw/zinc/63/28/54/750632854.db2.gz FRUOTKZYPMEWTQ-WKPIXPDZSA-N 1 1 346.362 0.885 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088549832 750632858 /nfs/dbraw/zinc/63/28/58/750632858.db2.gz FRUOTKZYPMEWTQ-WKPIXPDZSA-N 1 1 346.362 0.885 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cocn2)C1 ZINC001005808456 750662768 /nfs/dbraw/zinc/66/27/68/750662768.db2.gz FKKUTWZZJRXVRY-DOMZBBRYSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cocn2)C1 ZINC001005808456 750662769 /nfs/dbraw/zinc/66/27/69/750662769.db2.gz FKKUTWZZJRXVRY-DOMZBBRYSA-N 1 1 330.388 0.349 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001059794470 750755792 /nfs/dbraw/zinc/75/57/92/750755792.db2.gz KQBQQPJFDAQDPN-GUTXKFCHSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001059794470 750755796 /nfs/dbraw/zinc/75/57/96/750755796.db2.gz KQBQQPJFDAQDPN-GUTXKFCHSA-N 1 1 344.419 0.517 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H](NCc3cnon3)C2)CC1 ZINC000981539874 750789633 /nfs/dbraw/zinc/78/96/33/750789633.db2.gz AFLLKYPQSPZQHO-CVEARBPZSA-N 1 1 345.447 0.932 20 30 ECEDMO C#CCC[N@H+]1CCCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC000981565499 750818340 /nfs/dbraw/zinc/81/83/40/750818340.db2.gz DYBQBLROXPHSNM-UHFFFAOYSA-N 1 1 332.448 0.933 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC000981565499 750818349 /nfs/dbraw/zinc/81/83/49/750818349.db2.gz DYBQBLROXPHSNM-UHFFFAOYSA-N 1 1 332.448 0.933 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001005938515 750821521 /nfs/dbraw/zinc/82/15/21/750821521.db2.gz LXCAKSGJIHBTKZ-LLVKDONJSA-N 1 1 340.387 0.668 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC000981664088 750930453 /nfs/dbraw/zinc/93/04/53/750930453.db2.gz XDHZITBRPWPJRY-HNNXBMFYSA-N 1 1 331.420 0.866 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCC3(CN(C(=O)CC(N)=O)C3)C2)cc1F ZINC000981679623 750963833 /nfs/dbraw/zinc/96/38/33/750963833.db2.gz TXFMQLJJSKIGEJ-UHFFFAOYSA-N 1 1 344.390 0.997 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CN(C(=O)CC(N)=O)C3)C2)cc1F ZINC000981679623 750963839 /nfs/dbraw/zinc/96/38/39/750963839.db2.gz TXFMQLJJSKIGEJ-UHFFFAOYSA-N 1 1 344.390 0.997 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3nccn3C)[C@@H]2C)CC1 ZINC000987574150 750976051 /nfs/dbraw/zinc/97/60/51/750976051.db2.gz DUEKPJQUGXBPNI-DOTOQJQBSA-N 1 1 343.475 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NC2CC2)C3)c[nH]1 ZINC000981722404 751003204 /nfs/dbraw/zinc/00/32/04/751003204.db2.gz STZITRINURWZRJ-UHFFFAOYSA-N 1 1 341.415 0.703 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NC2CC2)C3)c[nH]1 ZINC000981722404 751003212 /nfs/dbraw/zinc/00/32/12/751003212.db2.gz STZITRINURWZRJ-UHFFFAOYSA-N 1 1 341.415 0.703 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001028118095 751005490 /nfs/dbraw/zinc/00/54/90/751005490.db2.gz WPIUDCAFCXGZQQ-IRXDYDNUSA-N 1 1 348.491 0.696 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001006126136 751046613 /nfs/dbraw/zinc/04/66/13/751046613.db2.gz MVLINDYUTVUNBM-ZFWWWQNUSA-N 1 1 340.427 0.591 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001059820026 751075469 /nfs/dbraw/zinc/07/54/69/751075469.db2.gz VSLSMNSAMZEIGO-BETUJISGSA-N 1 1 328.420 0.561 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001028122184 751084956 /nfs/dbraw/zinc/08/49/56/751084956.db2.gz SWVDPTWPEWMPOL-WCQYABFASA-N 1 1 335.383 0.530 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2n[nH]cc2F)C1=O ZINC001028122184 751084964 /nfs/dbraw/zinc/08/49/64/751084964.db2.gz SWVDPTWPEWMPOL-WCQYABFASA-N 1 1 335.383 0.530 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)CSC)C1 ZINC000987727048 751119859 /nfs/dbraw/zinc/11/98/59/751119859.db2.gz LKFCWOOODVUFRH-CABCVRRESA-N 1 1 337.489 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)CSC)C1 ZINC000987727048 751119862 /nfs/dbraw/zinc/11/98/62/751119862.db2.gz LKFCWOOODVUFRH-CABCVRRESA-N 1 1 337.489 0.754 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCCN(C)C2=O)c1 ZINC001028125979 751124880 /nfs/dbraw/zinc/12/48/80/751124880.db2.gz BZTCCYZLJRRHGD-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCCN(C)C2=O)c1 ZINC001028125980 751125301 /nfs/dbraw/zinc/12/53/01/751125301.db2.gz BZTCCYZLJRRHGD-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3nc(OC)cc(OC)n3)C2)C1 ZINC000981848524 751185521 /nfs/dbraw/zinc/18/55/21/751185521.db2.gz QMQLCHAEVZUFNK-UHFFFAOYSA-N 1 1 330.388 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC000987806341 751211403 /nfs/dbraw/zinc/21/14/03/751211403.db2.gz NATALILVTBLJGI-JYJNAYRXSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC000987806341 751211409 /nfs/dbraw/zinc/21/14/09/751211409.db2.gz NATALILVTBLJGI-JYJNAYRXSA-N 1 1 335.448 0.426 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+]([C@H]3CCNC3=O)CC2)nc1 ZINC001006302922 751221285 /nfs/dbraw/zinc/22/12/85/751221285.db2.gz KXBYAPPLTPYCQU-INIZCTEOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccsn2)C1 ZINC001006312387 751230325 /nfs/dbraw/zinc/23/03/25/751230325.db2.gz BDQDXNNSBWGAAP-WFASDCNBSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccsn2)C1 ZINC001006312387 751230329 /nfs/dbraw/zinc/23/03/29/751230329.db2.gz BDQDXNNSBWGAAP-WFASDCNBSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2nc(C)c[nH]2)C1 ZINC001006315031 751234622 /nfs/dbraw/zinc/23/46/22/751234622.db2.gz MVPUDKTYHXZIMB-HIFRSBDPSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2nc(C)c[nH]2)C1 ZINC001006315031 751234628 /nfs/dbraw/zinc/23/46/28/751234628.db2.gz MVPUDKTYHXZIMB-HIFRSBDPSA-N 1 1 343.431 0.392 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981877935 751237746 /nfs/dbraw/zinc/23/77/46/751237746.db2.gz JOWRRQZIGQEGMS-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981877935 751237749 /nfs/dbraw/zinc/23/77/49/751237749.db2.gz JOWRRQZIGQEGMS-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cnc4sccn4c3=O)C2)C1 ZINC000981878192 751238219 /nfs/dbraw/zinc/23/82/19/751238219.db2.gz NXCTXHUUUJIRRX-UHFFFAOYSA-N 1 1 342.424 0.927 20 30 ECEDMO C#CCN1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981902055 751258524 /nfs/dbraw/zinc/25/85/24/751258524.db2.gz ZEWISQVUCNCDTC-KOHRHEQBSA-N 1 1 329.444 0.407 20 30 ECEDMO C#CCN1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981902055 751258528 /nfs/dbraw/zinc/25/85/28/751258528.db2.gz ZEWISQVUCNCDTC-KOHRHEQBSA-N 1 1 329.444 0.407 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)Cn3nc4ccccn4c3=O)C2)C1 ZINC000981924426 751278586 /nfs/dbraw/zinc/27/85/86/751278586.db2.gz LYUUTOKVCMPTIR-UHFFFAOYSA-N 1 1 339.399 0.054 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)C2)C1 ZINC000981927072 751283181 /nfs/dbraw/zinc/28/31/81/751283181.db2.gz HSBIMDJWXQUXSI-UHFFFAOYSA-N 1 1 342.407 0.418 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001006366235 751294149 /nfs/dbraw/zinc/29/41/49/751294149.db2.gz BUKZOHSQBXBNGK-WBMJQRKESA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001087436073 751319312 /nfs/dbraw/zinc/31/93/12/751319312.db2.gz VXBFBTUPBRVQLH-IXDOHACOSA-N 1 1 340.427 0.665 20 30 ECEDMO COCCN(CCNC(=O)Cn1cc[nH+]c1C)c1ccncc1C#N ZINC001126350516 752321984 /nfs/dbraw/zinc/32/19/84/752321984.db2.gz YAJHMDKJWAELRH-UHFFFAOYSA-N 1 1 342.403 0.727 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001028301851 752332746 /nfs/dbraw/zinc/33/27/46/752332746.db2.gz VKHNSLLGVKXAKT-CQSZACIVSA-N 1 1 326.404 0.959 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001028301851 752332751 /nfs/dbraw/zinc/33/27/51/752332751.db2.gz VKHNSLLGVKXAKT-CQSZACIVSA-N 1 1 326.404 0.959 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnsn2)C1 ZINC001020945657 752372324 /nfs/dbraw/zinc/37/23/24/752372324.db2.gz PQCTVNZWFXHVQE-HAQNSBGRSA-N 1 1 343.412 0.996 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3CCC)C2)cn1 ZINC001020949711 752376686 /nfs/dbraw/zinc/37/66/86/752376686.db2.gz UUVWWJWDCYTSDG-SHTZXODSSA-N 1 1 339.403 0.510 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(C#N)cn1 ZINC001126355304 752382849 /nfs/dbraw/zinc/38/28/49/752382849.db2.gz JPQKMYORQHDKFY-OAHLLOKOSA-N 1 1 331.420 0.474 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccncc1C#N ZINC001126356225 752386478 /nfs/dbraw/zinc/38/64/78/752386478.db2.gz XUVXIADWILVSHJ-CQSZACIVSA-N 1 1 331.420 0.474 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001059909992 752397025 /nfs/dbraw/zinc/39/70/25/752397025.db2.gz FWKPHXJQFRGCOR-ZFWWWQNUSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001028335748 752411353 /nfs/dbraw/zinc/41/13/53/752411353.db2.gz APTOJRQJCUDBDO-CYBMUJFWSA-N 1 1 334.424 0.137 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001007465356 752413551 /nfs/dbraw/zinc/41/35/51/752413551.db2.gz SDXMOTPHALJLGJ-CQSZACIVSA-N 1 1 329.466 0.569 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001212034035 752422843 /nfs/dbraw/zinc/42/28/43/752422843.db2.gz RJRABWJHKMGFIA-ARFHVFGLSA-N 1 1 342.436 0.200 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001212034035 752422847 /nfs/dbraw/zinc/42/28/47/752422847.db2.gz RJRABWJHKMGFIA-ARFHVFGLSA-N 1 1 342.436 0.200 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](OC)C2CCC2)C[C@H]1OC ZINC001212032234 752430424 /nfs/dbraw/zinc/43/04/24/752430424.db2.gz QOQQKOFMUDBYME-BZUAXINKSA-N 1 1 326.437 0.820 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)NC(=O)CC)C2)nn1 ZINC001098677920 752435750 /nfs/dbraw/zinc/43/57/50/752435750.db2.gz ABQOGDHKSNZVKS-UKRRQHHQSA-N 1 1 348.451 0.632 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnns2)C1 ZINC001007518497 752474587 /nfs/dbraw/zinc/47/45/87/752474587.db2.gz CATOAVAEOIRBBF-ZFWWWQNUSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnns2)C1 ZINC001007518497 752474593 /nfs/dbraw/zinc/47/45/93/752474593.db2.gz CATOAVAEOIRBBF-ZFWWWQNUSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nc(C)no2)C1 ZINC001007519321 752475922 /nfs/dbraw/zinc/47/59/22/752475922.db2.gz OEROABABELEZSC-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nc(C)no2)C1 ZINC001007519321 752475925 /nfs/dbraw/zinc/47/59/25/752475925.db2.gz OEROABABELEZSC-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000937754805 752500793 /nfs/dbraw/zinc/50/07/93/752500793.db2.gz ATWUKVXIGOTIPW-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001007544515 752503691 /nfs/dbraw/zinc/50/36/91/752503691.db2.gz UAUPXAICXBLZAH-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3c(C)ncn3C)C2)C1=O ZINC001007544515 752503693 /nfs/dbraw/zinc/50/36/93/752503693.db2.gz UAUPXAICXBLZAH-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC[C@@](C)(O)c1ccsc1 ZINC000261707292 752524444 /nfs/dbraw/zinc/52/44/44/752524444.db2.gz DLDCDEBDPLDSCF-GDBMZVCRSA-N 1 1 337.493 0.120 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937850972 752563891 /nfs/dbraw/zinc/56/38/91/752563891.db2.gz OMQKCKYCUHNOLK-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001007575884 752564180 /nfs/dbraw/zinc/56/41/80/752564180.db2.gz NTAPGYAQRJYMKQ-JSGCOSHPSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001007575884 752564182 /nfs/dbraw/zinc/56/41/82/752564182.db2.gz NTAPGYAQRJYMKQ-JSGCOSHPSA-N 1 1 345.403 0.163 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(C)c2)[C@@H]1C ZINC000988737748 752639642 /nfs/dbraw/zinc/63/96/42/752639642.db2.gz GPGPAUBFWZIFGI-PVAVHDDUSA-N 1 1 342.443 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(C)c2)[C@@H]1C ZINC000988737748 752639646 /nfs/dbraw/zinc/63/96/46/752639646.db2.gz GPGPAUBFWZIFGI-PVAVHDDUSA-N 1 1 342.443 0.842 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cnn(CC)c3)C2)C1=O ZINC001028452034 752690286 /nfs/dbraw/zinc/69/02/86/752690286.db2.gz DRWDVXWYHVRFSS-ZBFHGGJFSA-N 1 1 345.447 0.742 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001028470537 752771270 /nfs/dbraw/zinc/77/12/70/752771270.db2.gz LHFDLHMDCYJKRI-GFCCVEGCSA-N 1 1 340.387 0.937 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1C ZINC001105844193 762156934 /nfs/dbraw/zinc/15/69/34/762156934.db2.gz VHZSCDGPUFUNJE-CHWSQXEVSA-N 1 1 333.436 0.572 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001007696115 752806432 /nfs/dbraw/zinc/80/64/32/752806432.db2.gz SIMLDVFRXXRNAR-CYBMUJFWSA-N 1 1 327.388 0.955 20 30 ECEDMO COc1cncc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028486418 752821543 /nfs/dbraw/zinc/82/15/43/752821543.db2.gz FNJOXPRYIPMHHK-GFCCVEGCSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1cncc(C[N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028486418 752821548 /nfs/dbraw/zinc/82/15/48/752821548.db2.gz FNJOXPRYIPMHHK-GFCCVEGCSA-N 1 1 340.387 0.937 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c[nH]1 ZINC001028491761 752835967 /nfs/dbraw/zinc/83/59/67/752835967.db2.gz KHXWKBCRZALFLL-UONOGXRCSA-N 1 1 343.431 0.854 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)no1 ZINC001058997229 752839934 /nfs/dbraw/zinc/83/99/34/752839934.db2.gz MOTWGEPNMRVVML-NSHDSACASA-N 1 1 341.375 0.724 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001007772822 752919129 /nfs/dbraw/zinc/91/91/29/752919129.db2.gz ALXOWICVFAYGIX-MRXNPFEDSA-N 1 1 331.416 0.712 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028505178 752950434 /nfs/dbraw/zinc/95/04/34/752950434.db2.gz DPQPJSDLLOUXLE-KRWDZBQOSA-N 1 1 340.427 0.975 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001059934925 752957215 /nfs/dbraw/zinc/95/72/15/752957215.db2.gz XMQHUHZOPDDEOP-HUUCEWRRSA-N 1 1 336.436 0.223 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3nccc(C)n3)C2)C1=O ZINC001028511135 752994653 /nfs/dbraw/zinc/99/46/53/752994653.db2.gz ILKDUVXLAVRVDF-GJZGRUSLSA-N 1 1 343.431 0.624 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001028519310 753016073 /nfs/dbraw/zinc/01/60/73/753016073.db2.gz MSOONPSFZKUZHN-DOMZBBRYSA-N 1 1 346.362 0.744 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3ccc(C)cc3=O)C[C@@]2(C)C1 ZINC000982606271 753033509 /nfs/dbraw/zinc/03/35/09/753033509.db2.gz VJZNRTOEGVDSBE-KDURUIRLSA-N 1 1 327.428 0.960 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)cc1F ZINC001028519949 753046804 /nfs/dbraw/zinc/04/68/04/753046804.db2.gz WHUBMNJEMVNGEJ-SWLSCSKDSA-N 1 1 346.362 0.744 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn4ccccc4n3)C2)nn1 ZINC001105370118 753079374 /nfs/dbraw/zinc/07/93/74/753079374.db2.gz XFPKPBPQKFBXDK-UHFFFAOYSA-N 1 1 337.387 0.899 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001059942679 753087291 /nfs/dbraw/zinc/08/72/91/753087291.db2.gz ZNSRTICYGGMTSS-MAUKXSAKSA-N 1 1 348.447 0.873 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028535789 753095119 /nfs/dbraw/zinc/09/51/19/753095119.db2.gz FAZQISVJJJLKEP-KBPBESRZSA-N 1 1 329.404 0.224 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001007994278 753184299 /nfs/dbraw/zinc/18/42/99/753184299.db2.gz HURFJPPJDOACMA-HUUCEWRRSA-N 1 1 333.432 0.084 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)C1 ZINC001007994278 753184305 /nfs/dbraw/zinc/18/43/05/753184305.db2.gz HURFJPPJDOACMA-HUUCEWRRSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@]2(C)C1 ZINC000982646202 753204458 /nfs/dbraw/zinc/20/44/58/753204458.db2.gz NSAFBWZJWNLRPH-HDICACEKSA-N 1 1 339.399 0.852 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001008058846 753252945 /nfs/dbraw/zinc/25/29/45/753252945.db2.gz RVCSRCMIDHPRIP-CYBMUJFWSA-N 1 1 327.388 0.549 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001008058846 753252952 /nfs/dbraw/zinc/25/29/52/753252952.db2.gz RVCSRCMIDHPRIP-CYBMUJFWSA-N 1 1 327.388 0.549 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC001051494294 762205582 /nfs/dbraw/zinc/20/55/82/762205582.db2.gz HDSRIKFKJZRVRS-WDEREUQCSA-N 1 1 325.800 0.550 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001008143274 753371590 /nfs/dbraw/zinc/37/15/90/753371590.db2.gz BKPHMPITCBWDGT-HZPDHXFCSA-N 1 1 339.395 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001008143274 753371591 /nfs/dbraw/zinc/37/15/91/753371591.db2.gz BKPHMPITCBWDGT-HZPDHXFCSA-N 1 1 339.395 0.667 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001028581366 753396906 /nfs/dbraw/zinc/39/69/06/753396906.db2.gz IONDNBMXEYICNR-VXGBXAGGSA-N 1 1 344.253 0.811 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001028581366 753396914 /nfs/dbraw/zinc/39/69/14/753396914.db2.gz IONDNBMXEYICNR-VXGBXAGGSA-N 1 1 344.253 0.811 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001008177047 753425336 /nfs/dbraw/zinc/42/53/36/753425336.db2.gz PKEBXKZLXUQUGP-FZMZJTMJSA-N 1 1 347.444 0.724 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001008177047 753425343 /nfs/dbraw/zinc/42/53/43/753425343.db2.gz PKEBXKZLXUQUGP-FZMZJTMJSA-N 1 1 347.444 0.724 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)cc1 ZINC001008179851 753430075 /nfs/dbraw/zinc/43/00/75/753430075.db2.gz XYOBYHDLHHVHHM-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)s1 ZINC001008180342 753430786 /nfs/dbraw/zinc/43/07/86/753430786.db2.gz ZPNWLBTXSDYQQI-FZMZJTMJSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)s1 ZINC001008180342 753430788 /nfs/dbraw/zinc/43/07/88/753430788.db2.gz ZPNWLBTXSDYQQI-FZMZJTMJSA-N 1 1 332.429 0.836 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000982770076 753512078 /nfs/dbraw/zinc/51/20/78/753512078.db2.gz CIUKZZCSYKBHDE-UKRRQHHQSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCCO2)CC1(C)C ZINC001008274236 753535831 /nfs/dbraw/zinc/53/58/31/753535831.db2.gz AYQUUUDCPIHVGG-ARFHVFGLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCCO2)CC1(C)C ZINC001008274236 753535839 /nfs/dbraw/zinc/53/58/39/753535839.db2.gz AYQUUUDCPIHVGG-ARFHVFGLSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn4c3CCC4)C2)nn1 ZINC001098681669 753640872 /nfs/dbraw/zinc/64/08/72/753640872.db2.gz WELRMXFCQRHNDZ-CQSZACIVSA-N 1 1 341.419 0.784 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCc3nc(C)no3)C2)nn1 ZINC001105372445 753677308 /nfs/dbraw/zinc/67/73/08/753677308.db2.gz HKOOSMCIOBJSJA-UHFFFAOYSA-N 1 1 345.407 0.651 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)nn1 ZINC001098683063 753692582 /nfs/dbraw/zinc/69/25/82/753692582.db2.gz ORYAWXXNRSWVNM-CYBMUJFWSA-N 1 1 334.424 0.229 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001083368064 753701993 /nfs/dbraw/zinc/70/19/93/753701993.db2.gz BQVFNXKPJFHPMO-ZACQAIPSSA-N 1 1 328.416 0.314 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001083368631 753705357 /nfs/dbraw/zinc/70/53/57/753705357.db2.gz SALVYSPFGQVQMG-IKGGRYGDSA-N 1 1 346.406 0.453 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CNC(=O)[C@@H](C)CC)C2)nn1 ZINC001105374250 753750290 /nfs/dbraw/zinc/75/02/90/753750290.db2.gz QVZULPVSAFQYPX-LBPRGKRZSA-N 1 1 334.424 0.099 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001008468913 753772256 /nfs/dbraw/zinc/77/22/56/753772256.db2.gz OKZBTYJRSIQFJN-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001008468913 753772258 /nfs/dbraw/zinc/77/22/58/753772258.db2.gz OKZBTYJRSIQFJN-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cnc4c(c3)NC(=O)CO4)CCC[C@H]12 ZINC000991623094 762241137 /nfs/dbraw/zinc/24/11/37/762241137.db2.gz JOPPMLUHGLNNHL-KSSFIOAISA-N 1 1 340.383 0.773 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2cnc(C#N)cn2)C1 ZINC001105532235 753801422 /nfs/dbraw/zinc/80/14/22/753801422.db2.gz UCTWZWFSWSJDBL-OAHLLOKOSA-N 1 1 346.435 0.352 20 30 ECEDMO CN(CCN(C)c1ncccc1C#N)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583299 753864232 /nfs/dbraw/zinc/86/42/32/753864232.db2.gz RHYOPENMFFODTB-HZPDHXFCSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cnsn2)C1 ZINC001028600754 753873705 /nfs/dbraw/zinc/87/37/05/753873705.db2.gz CJLURBUHGSOOFI-ZFWWWQNUSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cnsn2)C1 ZINC001028600754 753873713 /nfs/dbraw/zinc/87/37/13/753873713.db2.gz CJLURBUHGSOOFI-ZFWWWQNUSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001028601121 753876506 /nfs/dbraw/zinc/87/65/06/753876506.db2.gz JLSKVFHIYAGDAT-WBVHZDCISA-N 1 1 329.448 0.456 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001028601120 753876936 /nfs/dbraw/zinc/87/69/36/753876936.db2.gz JLSKVFHIYAGDAT-RDJZCZTQSA-N 1 1 329.448 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2noc(CC)n2)C1 ZINC001028601428 753880729 /nfs/dbraw/zinc/88/07/29/753880729.db2.gz OBYOODGFTKZBJT-GJZGRUSLSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2noc(CC)n2)C1 ZINC001028601428 753880736 /nfs/dbraw/zinc/88/07/36/753880736.db2.gz OBYOODGFTKZBJT-GJZGRUSLSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001028601594 753882457 /nfs/dbraw/zinc/88/24/57/753882457.db2.gz QWKUDHJWISVPOH-RDJZCZTQSA-N 1 1 329.448 0.456 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001028601855 753888037 /nfs/dbraw/zinc/88/80/37/753888037.db2.gz WFXGSQJGVFCTDE-WBVHZDCISA-N 1 1 329.448 0.456 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@@]2(C)C1 ZINC000982854253 754003138 /nfs/dbraw/zinc/00/31/38/754003138.db2.gz LJEWXKDRVBVZGV-JCGIZDLHSA-N 1 1 332.448 0.723 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001008735428 754055755 /nfs/dbraw/zinc/05/57/55/754055755.db2.gz FVWLZTKGLNJHGU-AWEZNQCLSA-N 1 1 344.419 0.438 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)nc1 ZINC000989512256 754063126 /nfs/dbraw/zinc/06/31/26/754063126.db2.gz CCMODFHKPFKXTQ-UHFFFAOYSA-N 1 1 341.415 0.236 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)nc1 ZINC000989512256 754063133 /nfs/dbraw/zinc/06/31/33/754063133.db2.gz CCMODFHKPFKXTQ-UHFFFAOYSA-N 1 1 341.415 0.236 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001075944129 754074509 /nfs/dbraw/zinc/07/45/09/754074509.db2.gz PJIHNVGQAJRHLS-DZGCQCFKSA-N 1 1 348.451 0.573 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nncs3)C[C@H]2C)nn1 ZINC000989536039 754079207 /nfs/dbraw/zinc/07/92/07/754079207.db2.gz IBJVRKYVHFVFBZ-MNOVXSKESA-N 1 1 333.421 0.708 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001008800144 754131304 /nfs/dbraw/zinc/13/13/04/754131304.db2.gz NXWBRBUTAPHRDT-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001008800144 754131307 /nfs/dbraw/zinc/13/13/07/754131307.db2.gz NXWBRBUTAPHRDT-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3[nH]cnc3CC)CC2)C1=O ZINC000989577735 754149576 /nfs/dbraw/zinc/14/95/76/754149576.db2.gz HOHHJDXYJRJOMN-OAHLLOKOSA-N 1 1 345.447 0.907 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3[nH]cnc3CC)CC2)C1=O ZINC000989577735 754149581 /nfs/dbraw/zinc/14/95/81/754149581.db2.gz HOHHJDXYJRJOMN-OAHLLOKOSA-N 1 1 345.447 0.907 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001028647086 754180501 /nfs/dbraw/zinc/18/05/01/754180501.db2.gz DYXODDUEZWFGOH-NWDGAFQWSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001028647086 754180503 /nfs/dbraw/zinc/18/05/03/754180503.db2.gz DYXODDUEZWFGOH-NWDGAFQWSA-N 1 1 344.253 0.859 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cn3ccnc3)CC2)C1=O ZINC000989787687 754446049 /nfs/dbraw/zinc/44/60/49/754446049.db2.gz UKQCPXWIQPKSSV-HNNXBMFYSA-N 1 1 331.420 0.204 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cn3ccnc3)CC2)C1=O ZINC000989787687 754446051 /nfs/dbraw/zinc/44/60/51/754446051.db2.gz UKQCPXWIQPKSSV-HNNXBMFYSA-N 1 1 331.420 0.204 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000983052704 754513435 /nfs/dbraw/zinc/51/34/35/754513435.db2.gz VYPTVAUTOLTDSP-JKSUJKDBSA-N 1 1 340.427 0.593 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)nn1 ZINC001098687612 754638312 /nfs/dbraw/zinc/63/83/12/754638312.db2.gz BEVNJJFLGLVGEM-OAHLLOKOSA-N 1 1 342.403 0.340 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001060006686 754679052 /nfs/dbraw/zinc/67/90/52/754679052.db2.gz FJDORKGYYBLMLE-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001060006686 754679054 /nfs/dbraw/zinc/67/90/54/754679054.db2.gz FJDORKGYYBLMLE-ZFWWWQNUSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001060008357 754694928 /nfs/dbraw/zinc/69/49/28/754694928.db2.gz ZGGNRKBNGVBINJ-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001060008357 754694935 /nfs/dbraw/zinc/69/49/35/754694935.db2.gz ZGGNRKBNGVBINJ-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(F)c[nH]3)C2)C1=O ZINC001028697528 754702812 /nfs/dbraw/zinc/70/28/12/754702812.db2.gz QOGAOYVIOBLSEM-SWLSCSKDSA-N 1 1 334.395 0.992 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC000983164250 754754476 /nfs/dbraw/zinc/75/44/76/754754476.db2.gz JFWNHSSWNGTPBM-CABCVRRESA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC000983164250 754754484 /nfs/dbraw/zinc/75/44/84/754754484.db2.gz JFWNHSSWNGTPBM-CABCVRRESA-N 1 1 341.415 0.153 20 30 ECEDMO Cc1nc([C@@H](C)NC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n[nH]1 ZINC001051555499 762331163 /nfs/dbraw/zinc/33/11/63/762331163.db2.gz NIMHGCQPZPIVGU-MFKMUULPSA-N 1 1 343.391 0.505 20 30 ECEDMO Cc1nnc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)[nH]1 ZINC001051555499 762331171 /nfs/dbraw/zinc/33/11/71/762331171.db2.gz NIMHGCQPZPIVGU-MFKMUULPSA-N 1 1 343.391 0.505 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)N2CCC2)CC3)c1 ZINC000990164064 754789928 /nfs/dbraw/zinc/78/99/28/754789928.db2.gz RNSZDPGVHLELJF-MAUKXSAKSA-N 1 1 341.415 0.845 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001009351419 754797385 /nfs/dbraw/zinc/79/73/85/754797385.db2.gz JEGNJTHNIBEADU-RHSMWYFYSA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001009351419 754797388 /nfs/dbraw/zinc/79/73/88/754797388.db2.gz JEGNJTHNIBEADU-RHSMWYFYSA-N 1 1 327.428 0.926 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001028715796 754815057 /nfs/dbraw/zinc/81/50/57/754815057.db2.gz JPQAOHPHVXVRLE-SOUVJXGZSA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001028715796 754815061 /nfs/dbraw/zinc/81/50/61/754815061.db2.gz JPQAOHPHVXVRLE-SOUVJXGZSA-N 1 1 343.855 0.813 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)Cn3cncn3)C2)s1 ZINC001009435811 754890671 /nfs/dbraw/zinc/89/06/71/754890671.db2.gz NYHRVYSRIOTFNX-LBPRGKRZSA-N 1 1 330.417 0.992 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cncn3)C2)s1 ZINC001009435811 754890677 /nfs/dbraw/zinc/89/06/77/754890677.db2.gz NYHRVYSRIOTFNX-LBPRGKRZSA-N 1 1 330.417 0.992 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001028739743 754941080 /nfs/dbraw/zinc/94/10/80/754941080.db2.gz IHDKBESBGUECKG-WDEREUQCSA-N 1 1 345.241 0.357 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001028739743 754941081 /nfs/dbraw/zinc/94/10/81/754941081.db2.gz IHDKBESBGUECKG-WDEREUQCSA-N 1 1 345.241 0.357 20 30 ECEDMO N#Cc1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nccs3)C2)c[nH]1 ZINC001051564179 762349098 /nfs/dbraw/zinc/34/90/98/762349098.db2.gz YDANQNZAFMPLND-ZDUSSCGKSA-N 1 1 331.401 0.974 20 30 ECEDMO CN1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1=O ZINC001028749575 754965583 /nfs/dbraw/zinc/96/55/83/754965583.db2.gz LGKUZSYLIVSIBM-RHSMWYFYSA-N 1 1 340.427 0.975 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)[nH]1 ZINC001075698217 755000883 /nfs/dbraw/zinc/00/08/83/755000883.db2.gz UBPUFTVBPITAJK-XJKSGUPXSA-N 1 1 341.415 0.655 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)[nH]1 ZINC001075698217 755000886 /nfs/dbraw/zinc/00/08/86/755000886.db2.gz UBPUFTVBPITAJK-XJKSGUPXSA-N 1 1 341.415 0.655 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028772308 755058083 /nfs/dbraw/zinc/05/80/83/755058083.db2.gz BUZSORNZNRQOED-VHSXEESVSA-N 1 1 331.214 0.015 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028772308 755058087 /nfs/dbraw/zinc/05/80/87/755058087.db2.gz BUZSORNZNRQOED-VHSXEESVSA-N 1 1 331.214 0.015 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001028774522 755065058 /nfs/dbraw/zinc/06/50/58/755065058.db2.gz XWAGBAFJWOZIIX-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO O=C(NC[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CNC(=O)N1 ZINC001028774459 755065114 /nfs/dbraw/zinc/06/51/14/755065114.db2.gz XDAPQDNQRQSANL-GDBMZVCRSA-N 1 1 344.390 0.297 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001009639013 755108218 /nfs/dbraw/zinc/10/82/18/755108218.db2.gz TXTMRLZGZKLWFS-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3nc(OC)cc(OC)n3)[C@@H]2C1 ZINC001075950512 755133709 /nfs/dbraw/zinc/13/37/09/755133709.db2.gz KPRBHFUOMMHYGG-QWHCGFSZSA-N 1 1 330.388 0.663 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001028799919 755163996 /nfs/dbraw/zinc/16/39/96/755163996.db2.gz KHBAIWFNGJDAHN-OWCLPIDISA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc(F)nc1 ZINC001075954699 755261129 /nfs/dbraw/zinc/26/11/29/755261129.db2.gz DSXXDSYHZTWBDT-ZFWWWQNUSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc(F)nc1 ZINC001075954699 755261133 /nfs/dbraw/zinc/26/11/33/755261133.db2.gz DSXXDSYHZTWBDT-ZFWWWQNUSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C)SC ZINC001075717497 755274298 /nfs/dbraw/zinc/27/42/98/755274298.db2.gz FXKTUACVEDIZRH-IHRRRGAJSA-N 1 1 325.478 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C)SC ZINC001075717497 755274302 /nfs/dbraw/zinc/27/43/02/755274302.db2.gz FXKTUACVEDIZRH-IHRRRGAJSA-N 1 1 325.478 0.847 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nccn3C)C2)nn1 ZINC001028851589 755308529 /nfs/dbraw/zinc/30/85/29/755308529.db2.gz RIRJHQOFMKRCFB-ZDUSSCGKSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nccn3C)C2)nn1 ZINC001028851589 755308537 /nfs/dbraw/zinc/30/85/37/755308537.db2.gz RIRJHQOFMKRCFB-ZDUSSCGKSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cncn3C)C2)nn1 ZINC001028851297 755308706 /nfs/dbraw/zinc/30/87/06/755308706.db2.gz LBAPBKNMKPJHGU-CYBMUJFWSA-N 1 1 329.408 0.450 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000990517809 755321806 /nfs/dbraw/zinc/32/18/06/755321806.db2.gz QMDBAXTVJGFVMF-QGZVFWFLSA-N 1 1 325.412 0.632 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCCOCC ZINC001075724910 755360529 /nfs/dbraw/zinc/36/05/29/755360529.db2.gz BXUAFIZNQDYIQO-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCCOCC ZINC001075724910 755360531 /nfs/dbraw/zinc/36/05/31/755360531.db2.gz BXUAFIZNQDYIQO-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3nnc[nH]3)C2)cc1 ZINC001028875330 755361635 /nfs/dbraw/zinc/36/16/35/755361635.db2.gz AXGFUBANDGUXFJ-CQSZACIVSA-N 1 1 340.387 0.959 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3ncn[nH]3)C2)cc1 ZINC001028875330 755361640 /nfs/dbraw/zinc/36/16/40/755361640.db2.gz AXGFUBANDGUXFJ-CQSZACIVSA-N 1 1 340.387 0.959 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3ncn[nH]3)C2)cc1 ZINC001028875330 755361646 /nfs/dbraw/zinc/36/16/46/755361646.db2.gz AXGFUBANDGUXFJ-CQSZACIVSA-N 1 1 340.387 0.959 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3nc[nH]n3)C2)cc1 ZINC001028875330 755361652 /nfs/dbraw/zinc/36/16/52/755361652.db2.gz AXGFUBANDGUXFJ-CQSZACIVSA-N 1 1 340.387 0.959 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3nc[nH]n3)C2)cc1 ZINC001028875330 755361656 /nfs/dbraw/zinc/36/16/56/755361656.db2.gz AXGFUBANDGUXFJ-CQSZACIVSA-N 1 1 340.387 0.959 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3nccs3)C2)C1=O ZINC001028885619 755383647 /nfs/dbraw/zinc/38/36/47/755383647.db2.gz BBWSCSJBMIYPLP-OLZOCXBDSA-N 1 1 334.445 0.982 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001028918631 755477127 /nfs/dbraw/zinc/47/71/27/755477127.db2.gz JZKMXGJMLALWSF-CYBMUJFWSA-N 1 1 329.400 0.935 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001010005868 755551390 /nfs/dbraw/zinc/55/13/90/755551390.db2.gz RVAMLADJLPSDGP-UKRRQHHQSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001010005868 755551395 /nfs/dbraw/zinc/55/13/95/755551395.db2.gz RVAMLADJLPSDGP-UKRRQHHQSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3nnc(-c4ccco4)n3)[C@@H]2C1 ZINC001075978430 755556052 /nfs/dbraw/zinc/55/60/52/755556052.db2.gz LRLLLSBQSZRDIB-QWHCGFSZSA-N 1 1 328.376 0.652 20 30 ECEDMO C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncn[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105666897 755583995 /nfs/dbraw/zinc/58/39/95/755583995.db2.gz KWYFJRKODNZPJZ-DTTOXWODSA-N 1 1 347.463 0.889 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC001030020582 755594699 /nfs/dbraw/zinc/59/46/99/755594699.db2.gz UILPGVQUBCBARQ-ULQDDVLXSA-N 1 1 348.491 0.838 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)[C@H]1C ZINC001088771602 755626027 /nfs/dbraw/zinc/62/60/27/755626027.db2.gz PHFLLJYKICZGTQ-RDBSUJKOSA-N 1 1 329.391 0.555 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCCC3=O)C2)c1 ZINC001010081194 755634521 /nfs/dbraw/zinc/63/45/21/755634521.db2.gz TUAIZYHGIUWOGK-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2COc3ccccc3O2)[C@@H](O)C1 ZINC001083494120 755696400 /nfs/dbraw/zinc/69/64/00/755696400.db2.gz KVNCAGHXCBTWOL-KFWWJZLASA-N 1 1 332.400 0.954 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)nn1 ZINC001098658944 755779347 /nfs/dbraw/zinc/77/93/47/755779347.db2.gz LECYJPNGUKJIEU-ZFWWWQNUSA-N 1 1 344.423 0.570 20 30 ECEDMO COCC#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)COC)CC1 ZINC001105673485 755800692 /nfs/dbraw/zinc/80/06/92/755800692.db2.gz LXUXCAKGXZIRMM-HDICACEKSA-N 1 1 349.475 0.422 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 ZINC000990767127 755853216 /nfs/dbraw/zinc/85/32/16/755853216.db2.gz XFHLZBLFPNYDGQ-WBMJQRKESA-N 1 1 332.408 0.066 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001083525852 755916370 /nfs/dbraw/zinc/91/63/70/755916370.db2.gz OTVUGOPCJHBAIB-BMFZPTHFSA-N 1 1 346.431 0.070 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001083525852 755916372 /nfs/dbraw/zinc/91/63/72/755916372.db2.gz OTVUGOPCJHBAIB-BMFZPTHFSA-N 1 1 346.431 0.070 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CNC(=O)NC)CC1 ZINC001105678993 755939477 /nfs/dbraw/zinc/93/94/77/755939477.db2.gz SVJSBGBAURMTLC-IYBDPMFKSA-N 1 1 349.479 0.241 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4sccn4c3=O)[C@@H]2C1 ZINC001076008060 755956204 /nfs/dbraw/zinc/95/62/04/755956204.db2.gz WXKYUWWLNLMBID-WCQYABFASA-N 1 1 328.397 0.536 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O ZINC001083535926 755975824 /nfs/dbraw/zinc/97/58/24/755975824.db2.gz UPVHAYLKYRABQF-IKGGRYGDSA-N 1 1 347.484 0.550 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@@H](O)C1 ZINC001083538354 755986933 /nfs/dbraw/zinc/98/69/33/755986933.db2.gz UPFTYXAFMGBHPN-LVQVYYBASA-N 1 1 346.431 0.072 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@@H](O)C1 ZINC001083538354 755986938 /nfs/dbraw/zinc/98/69/38/755986938.db2.gz UPFTYXAFMGBHPN-LVQVYYBASA-N 1 1 346.431 0.072 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)nc1 ZINC001076027369 756009626 /nfs/dbraw/zinc/00/96/26/756009626.db2.gz NIFGQRIKPCXRMW-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC001076027369 756009630 /nfs/dbraw/zinc/00/96/30/756009630.db2.gz NIFGQRIKPCXRMW-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C#CCCCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076028839 756017118 /nfs/dbraw/zinc/01/71/18/756017118.db2.gz PEMMEXQGAZANPC-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CCCCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076028839 756017123 /nfs/dbraw/zinc/01/71/23/756017123.db2.gz PEMMEXQGAZANPC-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2ncccn2)[C@@H](O)C1 ZINC001083539432 756025121 /nfs/dbraw/zinc/02/51/21/756025121.db2.gz XTUSADUUAYZDPD-KFWWJZLASA-N 1 1 331.420 0.183 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001076103352 756083285 /nfs/dbraw/zinc/08/32/85/756083285.db2.gz UFBGVMVBXGMTPS-GXTWGEPZSA-N 1 1 332.404 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)[C@@H]3C2)C1=O ZINC001076150176 756144548 /nfs/dbraw/zinc/14/45/48/756144548.db2.gz SHFSPYALGQAEDT-YHPRMOQLSA-N 1 1 345.443 0.198 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001076156842 756148633 /nfs/dbraw/zinc/14/86/33/756148633.db2.gz CJJUXVQJYWAYGT-KKUMJFAQSA-N 1 1 349.431 0.048 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001076156842 756148634 /nfs/dbraw/zinc/14/86/34/756148634.db2.gz CJJUXVQJYWAYGT-KKUMJFAQSA-N 1 1 349.431 0.048 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1=O ZINC001010457079 756151140 /nfs/dbraw/zinc/15/11/40/756151140.db2.gz JIANLPWBYJUCKO-CQSZACIVSA-N 1 1 325.372 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)C3CC3)C2)C1 ZINC001010460823 756154788 /nfs/dbraw/zinc/15/47/88/756154788.db2.gz HEBFXOMHFOXCFE-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)C3CC3)C2)C1 ZINC001010460823 756154790 /nfs/dbraw/zinc/15/47/90/756154790.db2.gz HEBFXOMHFOXCFE-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CO[C@H](C)CC ZINC001076185906 756187526 /nfs/dbraw/zinc/18/75/26/756187526.db2.gz RTKCOIONAMMYCY-XHSDSOJGSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CO[C@H](C)CC ZINC001076185906 756187529 /nfs/dbraw/zinc/18/75/29/756187529.db2.gz RTKCOIONAMMYCY-XHSDSOJGSA-N 1 1 337.464 0.910 20 30 ECEDMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001076198669 756194768 /nfs/dbraw/zinc/19/47/68/756194768.db2.gz IAZANXXHJYMKAQ-DZGCQCFKSA-N 1 1 331.803 0.710 20 30 ECEDMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001076198669 756194769 /nfs/dbraw/zinc/19/47/69/756194769.db2.gz IAZANXXHJYMKAQ-DZGCQCFKSA-N 1 1 331.803 0.710 20 30 ECEDMO C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001076294982 756339961 /nfs/dbraw/zinc/33/99/61/756339961.db2.gz KTKPCKVMJGCOFN-JKSUJKDBSA-N 1 1 347.463 0.628 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](OC)C1CC1 ZINC001076337148 756379084 /nfs/dbraw/zinc/37/90/84/756379084.db2.gz RWKWGGTXIOGCEY-CWRNSKLLSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](OC)C1CC1 ZINC001076337148 756379089 /nfs/dbraw/zinc/37/90/89/756379089.db2.gz RWKWGGTXIOGCEY-CWRNSKLLSA-N 1 1 335.448 0.520 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)cc1 ZINC001010672095 756379372 /nfs/dbraw/zinc/37/93/72/756379372.db2.gz UZILIFSBAWCZHH-KRWDZBQOSA-N 1 1 328.416 0.581 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@H](C)C#N)C3)C1 ZINC001010678838 756390106 /nfs/dbraw/zinc/39/01/06/756390106.db2.gz AGIAUVLRFVBWDM-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@H](C)C#N)C3)C1 ZINC001010678838 756390111 /nfs/dbraw/zinc/39/01/11/756390111.db2.gz AGIAUVLRFVBWDM-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C2)c[nH]1 ZINC001010699502 756414931 /nfs/dbraw/zinc/41/49/31/756414931.db2.gz UTLDOFBTEIIVJV-BBRMVZONSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C4CCC4)C3=O)C2)c[nH]1 ZINC001010699502 756414932 /nfs/dbraw/zinc/41/49/32/756414932.db2.gz UTLDOFBTEIIVJV-BBRMVZONSA-N 1 1 341.415 0.844 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001010717317 756437656 /nfs/dbraw/zinc/43/76/56/756437656.db2.gz QBQYUPWZMVTKJX-RBSFLKMASA-N 1 1 348.447 0.316 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001010717317 756437658 /nfs/dbraw/zinc/43/76/58/756437658.db2.gz QBQYUPWZMVTKJX-RBSFLKMASA-N 1 1 348.447 0.316 20 30 ECEDMO CCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051613412 762471982 /nfs/dbraw/zinc/47/19/82/762471982.db2.gz ZCVPKTJFDRJMQB-HNNXBMFYSA-N 1 1 331.420 0.337 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC1(COC)CC1 ZINC001076447754 756522021 /nfs/dbraw/zinc/52/20/21/756522021.db2.gz VGXRZVUEKFIYTN-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC1(COC)CC1 ZINC001076447754 756522024 /nfs/dbraw/zinc/52/20/24/756522024.db2.gz VGXRZVUEKFIYTN-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)cn1 ZINC001076476835 756564040 /nfs/dbraw/zinc/56/40/40/756564040.db2.gz FAPOLFPJYSDEKG-DOTOQJQBSA-N 1 1 336.399 0.501 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001076507901 756579784 /nfs/dbraw/zinc/57/97/84/756579784.db2.gz ZPDMGXZFTBCPMM-HOTGVXAUSA-N 1 1 333.432 0.135 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001076507901 756579787 /nfs/dbraw/zinc/57/97/87/756579787.db2.gz ZPDMGXZFTBCPMM-HOTGVXAUSA-N 1 1 333.432 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1nccc1C ZINC001076550729 756630550 /nfs/dbraw/zinc/63/05/50/756630550.db2.gz UEGWNKKZTVREEO-HOCLYGCPSA-N 1 1 345.447 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1nccc1C ZINC001076550729 756630554 /nfs/dbraw/zinc/63/05/54/756630554.db2.gz UEGWNKKZTVREEO-HOCLYGCPSA-N 1 1 345.447 0.300 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001010925296 756674285 /nfs/dbraw/zinc/67/42/85/756674285.db2.gz NOYMUPQHHDSOIS-ZDUSSCGKSA-N 1 1 329.404 0.513 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001010925295 756674650 /nfs/dbraw/zinc/67/46/50/756674650.db2.gz NOYMUPQHHDSOIS-CYBMUJFWSA-N 1 1 329.404 0.513 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010925768 756675278 /nfs/dbraw/zinc/67/52/78/756675278.db2.gz VXDBQEIREMOAGO-CYBMUJFWSA-N 1 1 329.404 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)/C=C/c2ccc[nH]2)CC1 ZINC001011048653 756828395 /nfs/dbraw/zinc/82/83/95/756828395.db2.gz WINZPSITKFJDKJ-OZSKJFCKSA-N 1 1 340.427 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)/C=C/c2ccc[nH]2)CC1 ZINC001011048653 756828401 /nfs/dbraw/zinc/82/84/01/756828401.db2.gz WINZPSITKFJDKJ-OZSKJFCKSA-N 1 1 340.427 0.796 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076687167 756854098 /nfs/dbraw/zinc/85/40/98/756854098.db2.gz IBDUOXNVSJVMMQ-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076687167 756854105 /nfs/dbraw/zinc/85/41/05/756854105.db2.gz IBDUOXNVSJVMMQ-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001098666561 756929361 /nfs/dbraw/zinc/92/93/61/756929361.db2.gz ASALRZLLEACYFR-GDBMZVCRSA-N 1 1 333.436 0.980 20 30 ECEDMO O=C(C#CC1CC1)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001011109349 756939392 /nfs/dbraw/zinc/93/93/92/756939392.db2.gz ATWFVPHGAPQCKN-IAGOWNOFSA-N 1 1 329.444 0.945 20 30 ECEDMO Cc1noc(C[N@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)n1 ZINC001048771158 756944144 /nfs/dbraw/zinc/94/41/44/756944144.db2.gz CVAYKRPMRUYKNX-TXEJJXNPSA-N 1 1 326.360 0.782 20 30 ECEDMO Cc1noc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)n1 ZINC001048771158 756944153 /nfs/dbraw/zinc/94/41/53/756944153.db2.gz CVAYKRPMRUYKNX-TXEJJXNPSA-N 1 1 326.360 0.782 20 30 ECEDMO CCn1ncc(C[N@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)n1 ZINC001048771354 756944640 /nfs/dbraw/zinc/94/46/40/756944640.db2.gz IIKYFUZTFOXZKT-BETUJISGSA-N 1 1 339.403 0.702 20 30 ECEDMO CCn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)n1 ZINC001048771354 756944642 /nfs/dbraw/zinc/94/46/42/756944642.db2.gz IIKYFUZTFOXZKT-BETUJISGSA-N 1 1 339.403 0.702 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](OC)C4CC4)C[C@H]3C2)C1=O ZINC001048792578 757010988 /nfs/dbraw/zinc/01/09/88/757010988.db2.gz AMTNQZICIDGORQ-TWMKSMIVSA-N 1 1 347.459 0.589 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001076770562 757036811 /nfs/dbraw/zinc/03/68/11/757036811.db2.gz WTVRMZPDBXJMNF-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001076770562 757036820 /nfs/dbraw/zinc/03/68/20/757036820.db2.gz WTVRMZPDBXJMNF-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)cc1 ZINC001076772067 757046069 /nfs/dbraw/zinc/04/60/69/757046069.db2.gz NNKUKYDVLSKGRK-HZPDHXFCSA-N 1 1 342.355 0.552 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)cc1 ZINC001076772067 757046073 /nfs/dbraw/zinc/04/60/73/757046073.db2.gz NNKUKYDVLSKGRK-HZPDHXFCSA-N 1 1 342.355 0.552 20 30 ECEDMO O=C(Cn1ncnn1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048822204 757109214 /nfs/dbraw/zinc/10/92/14/757109214.db2.gz VEJZJTOYOSEHHC-CALCHBBNSA-N 1 1 336.399 0.115 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n(C)n1 ZINC001076784783 757111795 /nfs/dbraw/zinc/11/17/95/757111795.db2.gz FSSZICVCDWVRMB-NVXWUHKLSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n(C)n1 ZINC001076784783 757111801 /nfs/dbraw/zinc/11/18/01/757111801.db2.gz FSSZICVCDWVRMB-NVXWUHKLSA-N 1 1 339.399 0.575 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]2C1 ZINC001048826909 757123210 /nfs/dbraw/zinc/12/32/10/757123210.db2.gz NTVAQGUPAYIRFN-RBZJEDDUSA-N 1 1 335.448 0.492 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc([C@@H]4CCCN4C)[nH]n3)C[C@H]2C1 ZINC001048831378 757134755 /nfs/dbraw/zinc/13/47/55/757134755.db2.gz QDSVZIVHFRFXNQ-VBQJREDUSA-N 1 1 327.432 0.813 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc([C@@H]4CCCN4C)n[nH]3)C[C@H]2C1 ZINC001048831378 757134760 /nfs/dbraw/zinc/13/47/60/757134760.db2.gz QDSVZIVHFRFXNQ-VBQJREDUSA-N 1 1 327.432 0.813 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc([C@@H]4CCCN4C)n[nH]3)C[C@H]2C1 ZINC001048831378 757134765 /nfs/dbraw/zinc/13/47/65/757134765.db2.gz QDSVZIVHFRFXNQ-VBQJREDUSA-N 1 1 327.432 0.813 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3ncc[nH]3)nn2)C1 ZINC001107166820 757230006 /nfs/dbraw/zinc/23/00/06/757230006.db2.gz CMSDDPCBMXINPU-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)c4ccccc43)C[C@H]2C1 ZINC001048867858 757233403 /nfs/dbraw/zinc/23/34/03/757233403.db2.gz HBURYADVFQGMDK-DAYGRLMNSA-N 1 1 337.423 0.927 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3ncccn3)C[C@H]2C1 ZINC001048868929 757234455 /nfs/dbraw/zinc/23/44/55/757234455.db2.gz RIOIEBBDMLPPDB-BBWFWOEESA-N 1 1 339.443 0.464 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3ncccn3)C[C@H]2C1 ZINC001048868929 757234461 /nfs/dbraw/zinc/23/44/61/757234461.db2.gz RIOIEBBDMLPPDB-BBWFWOEESA-N 1 1 339.443 0.464 20 30 ECEDMO C#CCCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001048874320 757253644 /nfs/dbraw/zinc/25/36/44/757253644.db2.gz WUJNOOQUYFGHST-ULQDDVLXSA-N 1 1 349.475 0.552 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1O ZINC001076812354 757255620 /nfs/dbraw/zinc/25/56/20/757255620.db2.gz DYCYADWIXVUHQC-IXDOHACOSA-N 1 1 346.406 0.453 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCOCC(F)F)nn2)C1 ZINC001107173032 757276020 /nfs/dbraw/zinc/27/60/20/757276020.db2.gz YLPHALBCGBVWKM-UHFFFAOYSA-N 1 1 343.378 0.999 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cncnc2C)C1=O ZINC001032296505 757286315 /nfs/dbraw/zinc/28/63/15/757286315.db2.gz WXUPLOKKLODBSH-DZKIICNBSA-N 1 1 341.415 0.471 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cncnc2C)C1=O ZINC001032296505 757286322 /nfs/dbraw/zinc/28/63/22/757286322.db2.gz WXUPLOKKLODBSH-DZKIICNBSA-N 1 1 341.415 0.471 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C1 ZINC001048913695 757386095 /nfs/dbraw/zinc/38/60/95/757386095.db2.gz LEZKEIDNKGMJIL-AOOOYVTPSA-N 1 1 326.198 0.717 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C1 ZINC001048913695 757386104 /nfs/dbraw/zinc/38/61/04/757386104.db2.gz LEZKEIDNKGMJIL-AOOOYVTPSA-N 1 1 326.198 0.717 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001021404433 757397690 /nfs/dbraw/zinc/39/76/90/757397690.db2.gz BPOASRUCICJAHV-GJLQCQLHSA-N 1 1 335.448 0.955 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)c1 ZINC001076855828 757397827 /nfs/dbraw/zinc/39/78/27/757397827.db2.gz PBILDEWMKBPCOW-NUEKZKHPSA-N 1 1 332.404 0.620 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)c1 ZINC001076855651 757398059 /nfs/dbraw/zinc/39/80/59/757398059.db2.gz GMIZHBSTUBZFGH-UPJWGTAASA-N 1 1 340.330 0.085 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)c1 ZINC001076855651 757398071 /nfs/dbraw/zinc/39/80/71/757398071.db2.gz GMIZHBSTUBZFGH-UPJWGTAASA-N 1 1 340.330 0.085 20 30 ECEDMO C=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)nn1 ZINC001021404195 757398660 /nfs/dbraw/zinc/39/86/60/757398660.db2.gz XJNLNUJVKADEEE-WODVXLOZSA-N 1 1 332.408 0.063 20 30 ECEDMO CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001076856000 757399100 /nfs/dbraw/zinc/39/91/00/757399100.db2.gz WJBPDXUMLDFNPO-BPLDGKMQSA-N 1 1 332.404 0.476 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)[nH]n1 ZINC001076870246 757423705 /nfs/dbraw/zinc/42/37/05/757423705.db2.gz PYQZNHPUZWGYFK-IAGOWNOFSA-N 1 1 339.399 0.494 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)[nH]n1 ZINC001076870246 757423710 /nfs/dbraw/zinc/42/37/10/757423710.db2.gz PYQZNHPUZWGYFK-IAGOWNOFSA-N 1 1 339.399 0.494 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n[nH]1 ZINC001076870246 757423718 /nfs/dbraw/zinc/42/37/18/757423718.db2.gz PYQZNHPUZWGYFK-IAGOWNOFSA-N 1 1 339.399 0.494 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n[nH]1 ZINC001076870246 757423726 /nfs/dbraw/zinc/42/37/26/757423726.db2.gz PYQZNHPUZWGYFK-IAGOWNOFSA-N 1 1 339.399 0.494 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001021426578 757427707 /nfs/dbraw/zinc/42/77/07/757427707.db2.gz UQIRASCVBGYMGZ-VBNZEHGJSA-N 1 1 341.415 0.653 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)c1 ZINC001076872634 757429520 /nfs/dbraw/zinc/42/95/20/757429520.db2.gz JRCRGGVBYCDHPY-HZPDHXFCSA-N 1 1 338.367 0.634 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)c1 ZINC001076872634 757429526 /nfs/dbraw/zinc/42/95/26/757429526.db2.gz JRCRGGVBYCDHPY-HZPDHXFCSA-N 1 1 338.367 0.634 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(=O)n(CCOC)n3)C[C@H]2C1 ZINC001048926932 757432098 /nfs/dbraw/zinc/43/20/98/757432098.db2.gz UZKHFKXKPMSDDI-GASCZTMLSA-N 1 1 346.431 0.470 20 30 ECEDMO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048937910 757465038 /nfs/dbraw/zinc/46/50/38/757465038.db2.gz YFBIHPJEJIZSPU-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nc(C)oc2C)CC1 ZINC001011314307 757488159 /nfs/dbraw/zinc/48/81/59/757488159.db2.gz WTNXVPITULXLKJ-HNNXBMFYSA-N 1 1 344.415 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nc(C)oc2C)CC1 ZINC001011314307 757488162 /nfs/dbraw/zinc/48/81/62/757488162.db2.gz WTNXVPITULXLKJ-HNNXBMFYSA-N 1 1 344.415 0.673 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001011321968 757513996 /nfs/dbraw/zinc/51/39/96/757513996.db2.gz DHMLQPYAAJHLFH-RKVPGOIHSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001011321968 757514001 /nfs/dbraw/zinc/51/40/01/757514001.db2.gz DHMLQPYAAJHLFH-RKVPGOIHSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cnn(C)n3)C(C)(C)C2)nn1 ZINC000996389326 757519190 /nfs/dbraw/zinc/51/91/90/757519190.db2.gz NJMLJRKBFNHWOJ-CQSZACIVSA-N 1 1 344.423 0.233 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C[C@H]2C1 ZINC001048964396 757534771 /nfs/dbraw/zinc/53/47/71/757534771.db2.gz CUMXRKACLZEQHM-OAGGEKHMSA-N 1 1 342.443 0.951 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001048973109 757561812 /nfs/dbraw/zinc/56/18/12/757561812.db2.gz LRCBHRYBEWMPSQ-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]3C2)cc1 ZINC001048973737 757562716 /nfs/dbraw/zinc/56/27/16/757562716.db2.gz VHSFWRFSZTVCRH-RRQGHBQHSA-N 1 1 325.412 0.806 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000996445644 757623376 /nfs/dbraw/zinc/62/33/76/757623376.db2.gz ZLAZAKMTAGNNDW-CQSZACIVSA-N 1 1 330.432 0.957 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021580057 757636211 /nfs/dbraw/zinc/63/62/11/757636211.db2.gz BMCCQBPMHJBNNZ-CVEARBPZSA-N 1 1 338.473 0.757 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021580057 757636219 /nfs/dbraw/zinc/63/62/19/757636219.db2.gz BMCCQBPMHJBNNZ-CVEARBPZSA-N 1 1 338.473 0.757 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@H]2C1 ZINC001049007233 757676082 /nfs/dbraw/zinc/67/60/82/757676082.db2.gz URDHRNBEUBBEJG-KFWWJZLASA-N 1 1 329.448 0.886 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021607243 757680369 /nfs/dbraw/zinc/68/03/69/757680369.db2.gz UGQBQKVPWBEGCK-CVEARBPZSA-N 1 1 333.432 0.181 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNc2nccnc2C#N)C1 ZINC001107210029 757689408 /nfs/dbraw/zinc/68/94/08/757689408.db2.gz BNDVAWZVBJVWPH-NQHOJNORSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2nccnc2C#N)C1 ZINC001107210029 757689409 /nfs/dbraw/zinc/68/94/09/757689409.db2.gz BNDVAWZVBJVWPH-NQHOJNORSA-N 1 1 330.392 0.153 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021617495 757690876 /nfs/dbraw/zinc/69/08/76/757690876.db2.gz VJWMYXMPQOXQPC-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)C1 ZINC001107210983 757697907 /nfs/dbraw/zinc/69/79/07/757697907.db2.gz QYLSDESOLQDKTG-RDFMZFSFSA-N 1 1 330.392 0.153 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021621547 757697933 /nfs/dbraw/zinc/69/79/33/757697933.db2.gz BUWKAAHDVIXAIR-GJZGRUSLSA-N 1 1 344.415 0.285 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)C1 ZINC001107210983 757697915 /nfs/dbraw/zinc/69/79/15/757697915.db2.gz QYLSDESOLQDKTG-RDFMZFSFSA-N 1 1 330.392 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CCCCC)C[C@@H]1O ZINC001049019546 757712312 /nfs/dbraw/zinc/71/23/12/757712312.db2.gz OIOSHKCGFKTMBC-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CCCCC)C[C@@H]1O ZINC001049019546 757712319 /nfs/dbraw/zinc/71/23/19/757712319.db2.gz OIOSHKCGFKTMBC-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001049023618 757725092 /nfs/dbraw/zinc/72/50/92/757725092.db2.gz GXDYCYZQYOTHEM-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)o1 ZINC001076962409 757735121 /nfs/dbraw/zinc/73/51/21/757735121.db2.gz QWIXFZXQKCEHKA-HUUCEWRRSA-N 1 1 341.371 0.154 20 30 ECEDMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)o1 ZINC001076962409 757735126 /nfs/dbraw/zinc/73/51/26/757735126.db2.gz QWIXFZXQKCEHKA-HUUCEWRRSA-N 1 1 341.371 0.154 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3cnn(C)n3)nn2)C1 ZINC001107212122 757743572 /nfs/dbraw/zinc/74/35/72/757743572.db2.gz OVKVPYHLENMRIE-UHFFFAOYSA-N 1 1 344.423 0.088 20 30 ECEDMO C[N@@H+](CC(=O)NCc1cn(C2CN(CC#N)C2)nn1)CC(C)(C)C ZINC001107212323 757745017 /nfs/dbraw/zinc/74/50/17/757745017.db2.gz ZPOXCCJXOKFETK-UHFFFAOYSA-N 1 1 333.440 0.252 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@H]3C2)c1 ZINC001049047579 757775250 /nfs/dbraw/zinc/77/52/50/757775250.db2.gz MUSVQHSPGLMRPT-CALCHBBNSA-N 1 1 338.411 0.299 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 ZINC001049055150 757794145 /nfs/dbraw/zinc/79/41/45/757794145.db2.gz YJZVOSVXZBMNQA-QNWHQSFQSA-N 1 1 327.812 0.162 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1 ZINC001021699713 757813961 /nfs/dbraw/zinc/81/39/61/757813961.db2.gz UAASBJUENATWPD-OFQRWUPVSA-N 1 1 341.415 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1c(C)ncn1C ZINC001076976713 757827404 /nfs/dbraw/zinc/82/74/04/757827404.db2.gz MZKACCFGSLSVDV-ZFWWWQNUSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1c(C)ncn1C ZINC001076976713 757827418 /nfs/dbraw/zinc/82/74/18/757827418.db2.gz MZKACCFGSLSVDV-ZFWWWQNUSA-N 1 1 345.447 0.451 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C(C)(C)NC(C)=O)nn2)C1 ZINC001107221270 757859075 /nfs/dbraw/zinc/85/90/75/757859075.db2.gz QOLMBXNAWVQBBJ-UHFFFAOYSA-N 1 1 334.424 0.242 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nc3nccc(C)n3n2)C1 ZINC001021724079 757864619 /nfs/dbraw/zinc/86/46/19/757864619.db2.gz IXTAYPYPFFBSOW-HUUCEWRRSA-N 1 1 338.415 0.992 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001021728919 757870655 /nfs/dbraw/zinc/87/06/55/757870655.db2.gz WPDNTPNVWZYQLB-KBPBESRZSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021733530 757877854 /nfs/dbraw/zinc/87/78/54/757877854.db2.gz OTMDMMKFZDCYKI-ZFWWWQNUSA-N 1 1 346.431 0.989 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021734353 757880065 /nfs/dbraw/zinc/88/00/65/757880065.db2.gz WPVVMYDNGRJUCO-ZFWWWQNUSA-N 1 1 344.415 0.436 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@H]2C1 ZINC001049074536 757888314 /nfs/dbraw/zinc/88/83/14/757888314.db2.gz ZNAUHQIDFJJQBS-KFWWJZLASA-N 1 1 328.420 0.039 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021742443 757892080 /nfs/dbraw/zinc/89/20/80/757892080.db2.gz LFPPHACEJDXMDF-UKRRQHHQSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001021747632 757896743 /nfs/dbraw/zinc/89/67/43/757896743.db2.gz YQKMLGYMKMKDAA-ZBFHGGJFSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001021747631 757896984 /nfs/dbraw/zinc/89/69/84/757896984.db2.gz YQKMLGYMKMKDAA-HOCLYGCPSA-N 1 1 326.400 0.740 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)CC[N@H+]1C ZINC001021802290 757934206 /nfs/dbraw/zinc/93/42/06/757934206.db2.gz YSKCTLOFMVSHKB-XLNGHYISSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001077021893 757960406 /nfs/dbraw/zinc/96/04/06/757960406.db2.gz BNRSPUNCRVKFTP-RDJZCZTQSA-N 1 1 348.491 0.579 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3[nH]cnc3C)nn2)C1 ZINC001107233820 757975829 /nfs/dbraw/zinc/97/58/29/757975829.db2.gz QOEOTXCWIBNCIG-UHFFFAOYSA-N 1 1 329.408 0.601 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCCN(C)C(C)=O)nn2)C1 ZINC001107234388 757978029 /nfs/dbraw/zinc/97/80/29/757978029.db2.gz ZZLFCVNURZMYPT-UHFFFAOYSA-N 1 1 348.451 0.586 20 30 ECEDMO Cn1ncc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]3C2)n1 ZINC001049115809 758006825 /nfs/dbraw/zinc/00/68/25/758006825.db2.gz RAXLSTSLRBLWES-IYBDPMFKSA-N 1 1 336.399 0.891 20 30 ECEDMO C=C(Cl)CN1CC(n2cc(CNC(=O)Cn3cc[nH+]c3C)nn2)C1 ZINC001107236480 758026161 /nfs/dbraw/zinc/02/61/61/758026161.db2.gz YAUYDZRXXPCKIB-UHFFFAOYSA-N 1 1 349.826 0.709 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@@H](O)C1 ZINC001083783350 758026859 /nfs/dbraw/zinc/02/68/59/758026859.db2.gz NAWMIZPSDJGSMP-HIFRSBDPSA-N 1 1 348.447 0.264 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001077047239 758035231 /nfs/dbraw/zinc/03/52/31/758035231.db2.gz AKVPXWZFBCXMSN-RBSFLKMASA-N 1 1 337.464 0.761 20 30 ECEDMO C=CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](C[C@@H](C)OC)C2)nn1 ZINC001107241415 758043760 /nfs/dbraw/zinc/04/37/60/758043760.db2.gz UHLUAEUMNYWYAC-CHWSQXEVSA-N 1 1 337.424 0.377 20 30 ECEDMO Cc1cc(C#N)nc(NC/C=C\CNC(=O)CC[NH+]2CCOCC2)n1 ZINC001107253325 758047979 /nfs/dbraw/zinc/04/79/79/758047979.db2.gz BQDSVTODPPQSPK-IHWYPQMZSA-N 1 1 344.419 0.463 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(F)F)CCC[C@@H]12 ZINC001107259521 758082547 /nfs/dbraw/zinc/08/25/47/758082547.db2.gz FOOLQCMWVRMNIF-MLGOLLRUSA-N 1 1 327.375 0.752 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C3=COCCO3)CCC[C@@H]12 ZINC001107264348 758101396 /nfs/dbraw/zinc/10/13/96/758101396.db2.gz CWOWKUMZJNWEHP-SJLPKXTDSA-N 1 1 334.416 0.885 20 30 ECEDMO Cc1cc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)no1 ZINC001107273059 758159054 /nfs/dbraw/zinc/15/90/54/758159054.db2.gz CTBFVEJYEJCIIZ-RHSMWYFYSA-N 1 1 345.403 0.597 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049159122 758167862 /nfs/dbraw/zinc/16/78/62/758167862.db2.gz JUUNPWNOGSZDKE-ZNMIVQPWSA-N 1 1 331.420 0.819 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCOC(C)C)CCC[C@@H]12 ZINC001107288788 758176684 /nfs/dbraw/zinc/17/66/84/758176684.db2.gz SQJLLGBGMPWTRC-VQIMIIECSA-N 1 1 349.475 0.912 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1O ZINC001049163069 758185184 /nfs/dbraw/zinc/18/51/84/758185184.db2.gz CXQHADADRWLGDV-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CO[C@H](C)CC ZINC001077124113 758238382 /nfs/dbraw/zinc/23/83/82/758238382.db2.gz MRSGCWIDJWXCFQ-XHSDSOJGSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CO[C@H](C)CC ZINC001077124113 758238392 /nfs/dbraw/zinc/23/83/92/758238392.db2.gz MRSGCWIDJWXCFQ-XHSDSOJGSA-N 1 1 337.464 0.910 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001049180637 758240838 /nfs/dbraw/zinc/24/08/38/758240838.db2.gz NESYEXMVNDSOOL-KKUMJFAQSA-N 1 1 337.464 0.713 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@H]2C1 ZINC001049193939 758269214 /nfs/dbraw/zinc/26/92/14/758269214.db2.gz GIOBMFQELRSRBU-BETUJISGSA-N 1 1 337.383 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCO[C@H]1CC ZINC001077125620 758293217 /nfs/dbraw/zinc/29/32/17/758293217.db2.gz ZIQIANZWQFFLQF-YVSFHVDLSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCO[C@H]1CC ZINC001077125620 758293224 /nfs/dbraw/zinc/29/32/24/758293224.db2.gz ZIQIANZWQFFLQF-YVSFHVDLSA-N 1 1 349.475 0.910 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077138346 758294782 /nfs/dbraw/zinc/29/47/82/758294782.db2.gz FFVREGGZEQVMCC-NVXWUHKLSA-N 1 1 343.431 0.425 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077138346 758294794 /nfs/dbraw/zinc/29/47/94/758294794.db2.gz FFVREGGZEQVMCC-NVXWUHKLSA-N 1 1 343.431 0.425 20 30 ECEDMO C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1C(=O)CNC1=O)CC2 ZINC001107335715 758318905 /nfs/dbraw/zinc/31/89/05/758318905.db2.gz CEFKAODCKWUNJX-PBFPGSCMSA-N 1 1 347.419 0.059 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nocc2C)C1 ZINC001051660533 762618877 /nfs/dbraw/zinc/61/88/77/762618877.db2.gz WCUZUTKDTDNSLF-RDJZCZTQSA-N 1 1 346.431 0.398 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNc1ccnc(C#N)n1 ZINC001107346905 758358878 /nfs/dbraw/zinc/35/88/78/758358878.db2.gz XCUIKEBEWJOLPX-NQHOJNORSA-N 1 1 328.420 0.727 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3CC=CC3)CCC[C@@H]12 ZINC001107347982 758363395 /nfs/dbraw/zinc/36/33/95/758363395.db2.gz LTKQPZCQWFIFSY-CRAIPNDOSA-N 1 1 330.432 0.953 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1O ZINC001077159164 758376459 /nfs/dbraw/zinc/37/64/59/758376459.db2.gz RNGZEAZTAPXVLQ-OWCLPIDISA-N 1 1 333.457 0.507 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1O ZINC001077159164 758376468 /nfs/dbraw/zinc/37/64/68/758376468.db2.gz RNGZEAZTAPXVLQ-OWCLPIDISA-N 1 1 333.457 0.507 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077159308 758377807 /nfs/dbraw/zinc/37/78/07/758377807.db2.gz YRRQKYPARAIDRD-QLFBSQMISA-N 1 1 341.402 0.291 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001077164082 758393229 /nfs/dbraw/zinc/39/32/29/758393229.db2.gz FAJMPLGXELJOOP-WCXIOVBPSA-N 1 1 347.459 0.352 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001077164082 758393240 /nfs/dbraw/zinc/39/32/40/758393240.db2.gz FAJMPLGXELJOOP-WCXIOVBPSA-N 1 1 347.459 0.352 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001077165015 758396110 /nfs/dbraw/zinc/39/61/10/758396110.db2.gz FGXOWHXKNWOUIV-BZUAXINKSA-N 1 1 345.447 0.573 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001049268053 758459614 /nfs/dbraw/zinc/45/96/14/758459614.db2.gz ILDLCERLKKMACY-JYJNAYRXSA-N 1 1 348.447 0.824 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001049268054 758459789 /nfs/dbraw/zinc/45/97/89/758459789.db2.gz ILDLCERLKKMACY-PMPSAXMXSA-N 1 1 348.447 0.824 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cn(C)nn1)CC2 ZINC001107401914 758471987 /nfs/dbraw/zinc/47/19/87/758471987.db2.gz GBRSCAUKXYGVQL-QGPMSJSTSA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cn(C)nn1)CC2 ZINC001107401914 758471989 /nfs/dbraw/zinc/47/19/89/758471989.db2.gz GBRSCAUKXYGVQL-QGPMSJSTSA-N 1 1 345.447 0.714 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC/C=C/CNc2ccc(C#N)nn2)no1 ZINC001107403289 758477464 /nfs/dbraw/zinc/47/74/64/758477464.db2.gz VBDFDDIJJIQHEO-ONEGZZNKSA-N 1 1 341.375 0.796 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCCN3C)C2)C1=O ZINC001022293260 758530415 /nfs/dbraw/zinc/53/04/15/758530415.db2.gz SRCOCCSXCJVHSH-QKPAOTATSA-N 1 1 334.464 0.494 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC/C=C/CNc1nc(C)cc(C#N)n1 ZINC001107424825 758532272 /nfs/dbraw/zinc/53/22/72/758532272.db2.gz FSXUSSLBFIQENA-ONEGZZNKSA-N 1 1 325.376 0.946 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CNS(=O)(=O)CC)CCC[C@@H]12 ZINC001107426080 758535840 /nfs/dbraw/zinc/53/58/40/758535840.db2.gz DVMGADGHASNCCG-GDBMZVCRSA-N 1 1 341.477 0.310 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2ccn[nH]2)C1=O ZINC001049342995 758540997 /nfs/dbraw/zinc/54/09/97/758540997.db2.gz WUJWURYVXSZQIG-PMPSAXMXSA-N 1 1 343.431 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2cc[nH]n2)C1=O ZINC001049342995 758541003 /nfs/dbraw/zinc/54/10/03/758541003.db2.gz WUJWURYVXSZQIG-PMPSAXMXSA-N 1 1 343.431 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2cc[nH]n2)C1=O ZINC001049342995 758541010 /nfs/dbraw/zinc/54/10/10/758541010.db2.gz WUJWURYVXSZQIG-PMPSAXMXSA-N 1 1 343.431 0.876 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC001107439605 758568939 /nfs/dbraw/zinc/56/89/39/758568939.db2.gz IORDAMHDZHRIIO-OGHNNQOOSA-N 1 1 334.420 0.521 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3C(=O)CCC3=O)CCC[C@@H]12 ZINC001107429843 758570145 /nfs/dbraw/zinc/57/01/45/758570145.db2.gz VTKIBSMZNSGTIJ-HBUWYVDXSA-N 1 1 331.416 0.518 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC/C=C/CNc2ccnc(C#N)n2)CC[N@H+]1C ZINC001107465774 758622735 /nfs/dbraw/zinc/62/27/35/758622735.db2.gz LUQFZIBGHKTDKK-NVFZZLLCSA-N 1 1 328.420 0.585 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ccncc2C#N)C1 ZINC001107465973 758624113 /nfs/dbraw/zinc/62/41/13/758624113.db2.gz RVINXKGDRYPQLS-LIMHQNJXSA-N 1 1 343.431 0.569 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)C1 ZINC001107466055 758624329 /nfs/dbraw/zinc/62/43/29/758624329.db2.gz UQRPXGYUDCGPRP-JZIMQPMSSA-N 1 1 344.419 0.542 20 30 ECEDMO N#Cc1ccc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC001127779262 758644169 /nfs/dbraw/zinc/64/41/69/758644169.db2.gz KIJQQJDJOKYFJS-NVXWUHKLSA-N 1 1 346.406 0.766 20 30 ECEDMO N#Cc1ccc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC001127779262 758644173 /nfs/dbraw/zinc/64/41/73/758644173.db2.gz KIJQQJDJOKYFJS-NVXWUHKLSA-N 1 1 346.406 0.766 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049426855 758670834 /nfs/dbraw/zinc/67/08/34/758670834.db2.gz ASUMSRGUHQAWQL-NEPJUHHUSA-N 1 1 325.800 0.802 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049426855 758670837 /nfs/dbraw/zinc/67/08/37/758670837.db2.gz ASUMSRGUHQAWQL-NEPJUHHUSA-N 1 1 325.800 0.802 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001077298886 758731938 /nfs/dbraw/zinc/73/19/38/758731938.db2.gz IOTAXDRLVNOJEH-DGCLKSJQSA-N 1 1 348.432 0.465 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(C)sc3n2)C1 ZINC001077299554 758742173 /nfs/dbraw/zinc/74/21/73/758742173.db2.gz GVZXGJNBRFYTKG-ZIAGYGMSSA-N 1 1 332.429 0.431 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(C)sc3n2)C1 ZINC001077299554 758742179 /nfs/dbraw/zinc/74/21/79/758742179.db2.gz GVZXGJNBRFYTKG-ZIAGYGMSSA-N 1 1 332.429 0.431 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099565987 758773386 /nfs/dbraw/zinc/77/33/86/758773386.db2.gz LKAUPBTVZUJXBT-HZPDHXFCSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H](NC(=O)C(C)C)CC2(CCOCC2)C1 ZINC001099565987 758773394 /nfs/dbraw/zinc/77/33/94/758773394.db2.gz LKAUPBTVZUJXBT-HZPDHXFCSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001049474046 758777802 /nfs/dbraw/zinc/77/78/02/758777802.db2.gz ORQPHKZBNPJREC-CWRNSKLLSA-N 1 1 341.415 0.461 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001077320646 758790225 /nfs/dbraw/zinc/79/02/25/758790225.db2.gz MVENEMPNCAHOQL-HUUCEWRRSA-N 1 1 336.436 0.112 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001077320646 758790229 /nfs/dbraw/zinc/79/02/29/758790229.db2.gz MVENEMPNCAHOQL-HUUCEWRRSA-N 1 1 336.436 0.112 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001049505470 758819652 /nfs/dbraw/zinc/81/96/52/758819652.db2.gz PEQHYJUMZKFEAC-BRWVUGGUSA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C(=O)CC[NH+]1CCOCC1)C1CC(Nc2nccnc2C#N)C1 ZINC001126972135 758824330 /nfs/dbraw/zinc/82/43/30/758824330.db2.gz KOLRPFWHSZAIDV-UHFFFAOYSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001049511768 758831478 /nfs/dbraw/zinc/83/14/78/758831478.db2.gz AFJJKIBCXNNPQK-UONOGXRCSA-N 1 1 339.399 0.986 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001011905570 758915525 /nfs/dbraw/zinc/91/55/25/758915525.db2.gz VGYOWHILSXNEPD-TZMCWYRMSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001049558863 758920051 /nfs/dbraw/zinc/92/00/51/758920051.db2.gz SVURHTQMJCBDEO-QWHCGFSZSA-N 1 1 339.417 0.792 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001049565335 758930400 /nfs/dbraw/zinc/93/04/00/758930400.db2.gz NBBUAPYUBHPTIX-IHRRRGAJSA-N 1 1 338.452 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCc1ccon1 ZINC001077373241 758930679 /nfs/dbraw/zinc/93/06/79/758930679.db2.gz NUHOBPREBPPROM-HOCLYGCPSA-N 1 1 346.431 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCc1ccon1 ZINC001077373241 758930683 /nfs/dbraw/zinc/93/06/83/758930683.db2.gz NUHOBPREBPPROM-HOCLYGCPSA-N 1 1 346.431 0.716 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C(N)=O)cn1C ZINC001049577529 758951187 /nfs/dbraw/zinc/95/11/87/758951187.db2.gz QYCHZQUYBVGWMJ-CABCVRRESA-N 1 1 328.416 0.826 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nncn2CC1 ZINC001049605585 758983075 /nfs/dbraw/zinc/98/30/75/758983075.db2.gz PMFBLOFEGGOUPS-HRCADAONSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049613068 758993175 /nfs/dbraw/zinc/99/31/75/758993175.db2.gz PKVWKJITORGNCU-GJZGRUSLSA-N 1 1 331.420 0.061 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049637588 759036908 /nfs/dbraw/zinc/03/69/08/759036908.db2.gz HRMHBVHROGXWGX-KGLIPLIRSA-N 1 1 340.855 0.236 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049637588 759036918 /nfs/dbraw/zinc/03/69/18/759036918.db2.gz HRMHBVHROGXWGX-KGLIPLIRSA-N 1 1 340.855 0.236 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001049673865 759074715 /nfs/dbraw/zinc/07/47/15/759074715.db2.gz AHPGHYRJECMFIS-KGLIPLIRSA-N 1 1 325.372 0.976 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)N(C)C)c1 ZINC001049706174 759116350 /nfs/dbraw/zinc/11/63/50/759116350.db2.gz HNHOKOBQZFAOKG-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)N(C)C)c1 ZINC001049706174 759116355 /nfs/dbraw/zinc/11/63/55/759116355.db2.gz HNHOKOBQZFAOKG-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049722992 759133342 /nfs/dbraw/zinc/13/33/42/759133342.db2.gz MPJOOUJLFYLSCN-FXUDXRNXSA-N 1 1 335.448 0.874 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049787509 759206744 /nfs/dbraw/zinc/20/67/44/759206744.db2.gz ITZYNLZFUJQJOA-HUUCEWRRSA-N 1 1 344.415 0.015 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001022869066 759219097 /nfs/dbraw/zinc/21/90/97/759219097.db2.gz JVQDTVPVMPFLJX-BETUJISGSA-N 1 1 326.360 0.736 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001022869066 759219103 /nfs/dbraw/zinc/21/91/03/759219103.db2.gz JVQDTVPVMPFLJX-BETUJISGSA-N 1 1 326.360 0.736 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC000991088159 759262639 /nfs/dbraw/zinc/26/26/39/759262639.db2.gz KGEFJOXDUWJMFK-CRAIPNDOSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001049830338 759266309 /nfs/dbraw/zinc/26/63/09/759266309.db2.gz FPLDLOAVQBRVMX-HYVNUMGLSA-N 1 1 343.431 0.942 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(C2CCOCC2)nn1 ZINC001049835816 759271071 /nfs/dbraw/zinc/27/10/71/759271071.db2.gz SMNLZWAWNYUFDU-DLBZAZTESA-N 1 1 343.431 0.942 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccn2c(=O)[nH]nc12 ZINC001049839996 759279941 /nfs/dbraw/zinc/27/99/41/759279941.db2.gz LILHZUULYPISEH-UONOGXRCSA-N 1 1 325.372 0.747 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)[C@@H](O)C1 ZINC001083610248 759286361 /nfs/dbraw/zinc/28/63/61/759286361.db2.gz LLKDDUWHQYDANO-ZBFHGGJFSA-N 1 1 329.400 0.557 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001049867616 759320099 /nfs/dbraw/zinc/32/00/99/759320099.db2.gz NZXNCKORURYLGW-SJORKVTESA-N 1 1 325.412 0.761 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001049867616 759320108 /nfs/dbraw/zinc/32/01/08/759320108.db2.gz NZXNCKORURYLGW-SJORKVTESA-N 1 1 325.412 0.761 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049869781 759322427 /nfs/dbraw/zinc/32/24/27/759322427.db2.gz FPLQIVONHRQMDG-KBPBESRZSA-N 1 1 346.431 0.405 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001049872837 759326652 /nfs/dbraw/zinc/32/66/52/759326652.db2.gz ZUHDTYVJVXNOGJ-ZACQAIPSSA-N 1 1 333.432 0.322 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047638718 759374866 /nfs/dbraw/zinc/37/48/66/759374866.db2.gz FJMZMFQXOSJBSB-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001047638718 759374879 /nfs/dbraw/zinc/37/48/79/759374879.db2.gz FJMZMFQXOSJBSB-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1COCCN1C(C)=O ZINC001049904797 759386229 /nfs/dbraw/zinc/38/62/29/759386229.db2.gz RTMQMZPYADGWGE-BRWVUGGUSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC001047645000 759393656 /nfs/dbraw/zinc/39/36/56/759393656.db2.gz ZCYNWVUYGDRLGU-IRXDYDNUSA-N 1 1 331.416 0.972 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC001047645000 759393664 /nfs/dbraw/zinc/39/36/64/759393664.db2.gz ZCYNWVUYGDRLGU-IRXDYDNUSA-N 1 1 331.416 0.972 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2c3ccccc3NC2=O)C1 ZINC001047645341 759396617 /nfs/dbraw/zinc/39/66/17/759396617.db2.gz MKMVGCXKDLCRCY-KBMXLJTQSA-N 1 1 329.400 0.802 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 ZINC001049918472 759400888 /nfs/dbraw/zinc/40/08/88/759400888.db2.gz LDJHWOSKJFBZLS-ZIAGYGMSSA-N 1 1 332.408 0.018 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001047652820 759414198 /nfs/dbraw/zinc/41/41/98/759414198.db2.gz BINPHYGTXWHGFK-HOTGVXAUSA-N 1 1 342.399 0.419 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001054250068 767869189 /nfs/dbraw/zinc/86/91/89/767869189.db2.gz KNYJLTAAGRNREG-RDTXWAMCSA-N 1 1 333.432 0.930 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001032201695 759580975 /nfs/dbraw/zinc/58/09/75/759580975.db2.gz IOZUQDGRICPHHO-MRXNPFEDSA-N 1 1 348.472 0.888 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccc(C#N)s3)C2)C1 ZINC001032201695 759580980 /nfs/dbraw/zinc/58/09/80/759580980.db2.gz IOZUQDGRICPHHO-MRXNPFEDSA-N 1 1 348.472 0.888 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1)CC2 ZINC001012265812 759611969 /nfs/dbraw/zinc/61/19/69/759611969.db2.gz ZXFCURUPNBUMHO-GXTWGEPZSA-N 1 1 329.404 0.584 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 ZINC001050048675 759616059 /nfs/dbraw/zinc/61/60/59/759616059.db2.gz JQRAOIOEGXUJPZ-LSDHHAIUSA-N 1 1 345.443 0.718 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C(C)(C)C)n3)[C@@H]2C1 ZINC001050053701 759621749 /nfs/dbraw/zinc/62/17/49/759621749.db2.gz SKFWNKGWSCVQDW-UONOGXRCSA-N 1 1 330.436 0.988 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@H](C)C[NH+]2CCN(CC)CC2)C1=O ZINC000348435120 759648181 /nfs/dbraw/zinc/64/81/81/759648181.db2.gz WLLHSQSZQKZOPC-HUUCEWRRSA-N 1 1 338.452 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(Cl)cn2C)C1 ZINC000995516801 759689614 /nfs/dbraw/zinc/68/96/14/759689614.db2.gz CFEZWODAEWSPCR-AWEZNQCLSA-N 1 1 348.834 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(Cl)cn2C)C1 ZINC000995516801 759689623 /nfs/dbraw/zinc/68/96/23/759689623.db2.gz CFEZWODAEWSPCR-AWEZNQCLSA-N 1 1 348.834 0.717 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccncc1C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125110441 759700096 /nfs/dbraw/zinc/70/00/96/759700096.db2.gz GRVCFNNPAFDSGG-UKRRQHHQSA-N 1 1 331.420 0.160 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccn[nH]3)CC2(C)C)C1=O ZINC000995525985 759706397 /nfs/dbraw/zinc/70/63/97/759706397.db2.gz NNNNTPWRGAABTP-GXTWGEPZSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cnc(C)[nH]3)CC2(C)C)C1=O ZINC000995547376 759762528 /nfs/dbraw/zinc/76/25/28/759762528.db2.gz JQMJHTRNCUQCPH-UKRRQHHQSA-N 1 1 345.447 0.945 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001050166598 759843859 /nfs/dbraw/zinc/84/38/59/759843859.db2.gz ZYSIIMCEDCFZMY-NWDGAFQWSA-N 1 1 340.811 0.214 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001050166598 759843864 /nfs/dbraw/zinc/84/38/64/759843864.db2.gz ZYSIIMCEDCFZMY-NWDGAFQWSA-N 1 1 340.811 0.214 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c(OC)ccnc2OC)[C@@H](O)C1 ZINC001083635216 759912293 /nfs/dbraw/zinc/91/22/93/759912293.db2.gz IPHKXFBFDBAOGT-OLZOCXBDSA-N 1 1 335.404 0.840 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001050196818 759917416 /nfs/dbraw/zinc/91/74/16/759917416.db2.gz MSYOFXGIHJINRL-BFHYXJOUSA-N 1 1 334.420 0.474 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1OC ZINC001212138815 759948648 /nfs/dbraw/zinc/94/86/48/759948648.db2.gz GYLPHPWRYQMVDK-IAGOWNOFSA-N 1 1 343.427 0.450 20 30 ECEDMO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C)c1nnnn1C ZINC000995688754 760062214 /nfs/dbraw/zinc/06/22/14/760062214.db2.gz MHAXBKZEPXYXGO-ZWNOBZJWSA-N 1 1 342.407 0.611 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C)c1nnnn1C ZINC000995688750 760062234 /nfs/dbraw/zinc/06/22/34/760062234.db2.gz MHAXBKZEPXYXGO-MFKMUULPSA-N 1 1 342.407 0.611 20 30 ECEDMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077530565 767917323 /nfs/dbraw/zinc/91/73/23/767917323.db2.gz OZHKFGMHACHAKF-HZPDHXFCSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077530565 767917327 /nfs/dbraw/zinc/91/73/27/767917327.db2.gz OZHKFGMHACHAKF-HZPDHXFCSA-N 1 1 339.399 0.575 20 30 ECEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@]1(C)CCC(=O)N1)C2 ZINC001111525073 760355229 /nfs/dbraw/zinc/35/52/29/760355229.db2.gz LQFWJVCXZJWGJQ-OAFZBRQQSA-N 1 1 347.459 0.807 20 30 ECEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@]1(C)CCC(=O)N1)C2 ZINC001111525073 760355241 /nfs/dbraw/zinc/35/52/41/760355241.db2.gz LQFWJVCXZJWGJQ-OAFZBRQQSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083722881 767951452 /nfs/dbraw/zinc/95/14/52/767951452.db2.gz MIYIDASZKULPSI-KURKYZTESA-N 1 1 333.476 0.968 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ccn(C)n3)C2)nn1 ZINC001098673616 760514208 /nfs/dbraw/zinc/51/42/08/760514208.db2.gz SIXWBSHKABBLOT-MRXNPFEDSA-N 1 1 343.435 0.693 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCOCC)C[C@]2(C)C1 ZINC001101169298 760518863 /nfs/dbraw/zinc/51/88/63/760518863.db2.gz AIKOFGWJWOKINO-RKVPGOIHSA-N 1 1 335.448 0.331 20 30 ECEDMO COCCn1cc(C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)nn1 ZINC001127057062 760562046 /nfs/dbraw/zinc/56/20/46/760562046.db2.gz UCUKCICIBGVWKO-UHFFFAOYSA-N 1 1 346.366 0.455 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)C2 ZINC001048533948 760673634 /nfs/dbraw/zinc/67/36/34/760673634.db2.gz PODSSZVYVYZILG-QDMKHBRRSA-N 1 1 328.416 0.776 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)c3cccnc32)[C@@H](O)C1 ZINC001083660373 760718023 /nfs/dbraw/zinc/71/80/23/760718023.db2.gz UQCCQUQTLDQZBU-CABCVRRESA-N 1 1 329.404 0.477 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001050734770 760753407 /nfs/dbraw/zinc/75/34/07/760753407.db2.gz CLPJQHNMZXIKJJ-HOCLYGCPSA-N 1 1 346.431 0.585 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1c1ccc(C#N)nn1 ZINC001048586830 760759325 /nfs/dbraw/zinc/75/93/25/760759325.db2.gz CUHLLQZQDSQSOD-RRFJBIMHSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001048588687 760762738 /nfs/dbraw/zinc/76/27/38/760762738.db2.gz LKDIMGRUXQGLII-QKPAOTATSA-N 1 1 338.473 0.946 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)C2 ZINC001048591339 760767779 /nfs/dbraw/zinc/76/77/79/760767779.db2.gz OMNLTVSYAQYQSS-YOWGUQMCSA-N 1 1 326.400 0.787 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2nc(C)no2)C(C)(C)C1 ZINC000995924322 760784795 /nfs/dbraw/zinc/78/47/95/760784795.db2.gz OKCVIKAWARRXJM-LSDHHAIUSA-N 1 1 345.447 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2nc(C)no2)C(C)(C)C1 ZINC000995924322 760784797 /nfs/dbraw/zinc/78/47/97/760784797.db2.gz OKCVIKAWARRXJM-LSDHHAIUSA-N 1 1 345.447 0.802 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1ccc(C#N)cn1 ZINC001048612878 760791081 /nfs/dbraw/zinc/79/10/81/760791081.db2.gz HRORKFPJYLWEKG-XHSDSOJGSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1ccc(C#N)cn1 ZINC001048612878 760791086 /nfs/dbraw/zinc/79/10/86/760791086.db2.gz HRORKFPJYLWEKG-XHSDSOJGSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1ccc(C#N)nn1 ZINC001048612521 760791391 /nfs/dbraw/zinc/79/13/91/760791391.db2.gz CILYLORZCJBIHU-RRFJBIMHSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1ccc(C#N)nn1 ZINC001048612521 760791394 /nfs/dbraw/zinc/79/13/94/760791394.db2.gz CILYLORZCJBIHU-RRFJBIMHSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc[nH]n4)C[C@H]3C2)C1=O ZINC001048693649 760952270 /nfs/dbraw/zinc/95/22/70/760952270.db2.gz WOSVTKKZTUNCRK-GUTXKFCHSA-N 1 1 329.404 0.200 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)c4ccn[nH]4)C[C@H]3C2)C1=O ZINC001048693649 760952272 /nfs/dbraw/zinc/95/22/72/760952272.db2.gz WOSVTKKZTUNCRK-GUTXKFCHSA-N 1 1 329.404 0.200 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccn[nH]4)C[C@H]3C2)C1=O ZINC001048693649 760952276 /nfs/dbraw/zinc/95/22/76/760952276.db2.gz WOSVTKKZTUNCRK-GUTXKFCHSA-N 1 1 329.404 0.200 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](C)SC)C[C@H]3C2)C1=O ZINC001048693957 760954078 /nfs/dbraw/zinc/95/40/78/760954078.db2.gz CSBIWLYAHYMIQK-XQLPTFJDSA-N 1 1 337.489 0.915 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cccc(C#N)c1 ZINC001050838356 760968682 /nfs/dbraw/zinc/96/86/82/760968682.db2.gz KVKNOMVNJBMYBI-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3coc(S(N)(=O)=O)c3)CCC[C@H]12 ZINC000991444976 760974323 /nfs/dbraw/zinc/97/43/23/760974323.db2.gz HFVMFNSMEJKQLK-WFASDCNBSA-N 1 1 339.417 0.840 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@@H]2C1 ZINC001048725013 761046224 /nfs/dbraw/zinc/04/62/24/761046224.db2.gz MQLDHFUBQJKBBY-TTZDDIAXSA-N 1 1 330.432 0.690 20 30 ECEDMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001048732480 761065968 /nfs/dbraw/zinc/06/59/68/761065968.db2.gz AUKBKJNNHHGENA-GASCZTMLSA-N 1 1 329.375 0.443 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048764134 761135365 /nfs/dbraw/zinc/13/53/65/761135365.db2.gz NZCANPJWUWMADY-RWMBFGLXSA-N 1 1 341.415 0.557 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001030031468 761201543 /nfs/dbraw/zinc/20/15/43/761201543.db2.gz NEDHAZOJLKEEGF-JYJNAYRXSA-N 1 1 334.464 0.141 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001030031468 761201546 /nfs/dbraw/zinc/20/15/46/761201546.db2.gz NEDHAZOJLKEEGF-JYJNAYRXSA-N 1 1 334.464 0.141 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001212146053 761202465 /nfs/dbraw/zinc/20/24/65/761202465.db2.gz IDWDVCALXPDDPI-IAGOWNOFSA-N 1 1 347.463 0.904 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001212146053 761202472 /nfs/dbraw/zinc/20/24/72/761202472.db2.gz IDWDVCALXPDDPI-IAGOWNOFSA-N 1 1 347.463 0.904 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001212146537 761208579 /nfs/dbraw/zinc/20/85/79/761208579.db2.gz SPIUSMUSRRKBIF-HUUCEWRRSA-N 1 1 336.436 0.021 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001212146537 761208583 /nfs/dbraw/zinc/20/85/83/761208583.db2.gz SPIUSMUSRRKBIF-HUUCEWRRSA-N 1 1 336.436 0.021 20 30 ECEDMO C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001050953488 761211503 /nfs/dbraw/zinc/21/15/03/761211503.db2.gz DYYUSROTTMPRLX-DLBZAZTESA-N 1 1 335.448 0.080 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cnoc1C ZINC001050962355 761230480 /nfs/dbraw/zinc/23/04/80/761230480.db2.gz JWMNDHQIKIRSIK-IRXDYDNUSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cnoc1C ZINC001050962355 761230481 /nfs/dbraw/zinc/23/04/81/761230481.db2.gz JWMNDHQIKIRSIK-IRXDYDNUSA-N 1 1 346.431 0.398 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)[nH]1 ZINC000991523860 761362683 /nfs/dbraw/zinc/36/26/83/761362683.db2.gz ICBQDLJDOZPYHK-SWLSCSKDSA-N 1 1 341.415 0.701 20 30 ECEDMO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054552493 768039294 /nfs/dbraw/zinc/03/92/94/768039294.db2.gz VSFJLYDWGREIRD-HZMBPMFUSA-N 1 1 340.391 0.458 20 30 ECEDMO C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001051088069 761467994 /nfs/dbraw/zinc/46/79/94/761467994.db2.gz YDDHTTQRKGBFAQ-NVXWUHKLSA-N 1 1 330.432 0.594 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1C ZINC001054569917 768045167 /nfs/dbraw/zinc/04/51/67/768045167.db2.gz HVQFKEACXQUPSM-BXUZGUMPSA-N 1 1 341.419 0.828 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001054588054 768056380 /nfs/dbraw/zinc/05/63/80/768056380.db2.gz ODOXZIYCBKJZMD-SMDDNHRTSA-N 1 1 327.392 0.748 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]([C@@H](C)NC(=O)C#CC2CC2)C1 ZINC001051207080 761687895 /nfs/dbraw/zinc/68/78/95/761687895.db2.gz VKMZGVLIOWBZOM-ZBFHGGJFSA-N 1 1 328.416 0.958 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2Cc2ccccc2C#N)C1 ZINC001051242619 761747155 /nfs/dbraw/zinc/74/71/55/761747155.db2.gz VGZMJKOFKYTCAQ-ROUUACIJSA-N 1 1 342.443 0.827 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ccncc2C#N)C[C@@H]1O ZINC001051699609 762727638 /nfs/dbraw/zinc/72/76/38/762727638.db2.gz HNDCGDVLFNHRLP-ZBFHGGJFSA-N 1 1 340.387 0.214 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C[C@H]1O ZINC001051751555 762876925 /nfs/dbraw/zinc/87/69/25/762876925.db2.gz WMMKODBEVMVICH-JKSUJKDBSA-N 1 1 340.387 0.214 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001017539084 768094689 /nfs/dbraw/zinc/09/46/89/768094689.db2.gz WAWWODANENDTCZ-HOCLYGCPSA-N 1 1 328.416 0.519 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001017539084 768094696 /nfs/dbraw/zinc/09/46/96/768094696.db2.gz WAWWODANENDTCZ-HOCLYGCPSA-N 1 1 328.416 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn4c3CCC4)C2)C1=O ZINC001014658718 762966138 /nfs/dbraw/zinc/96/61/38/762966138.db2.gz MLQWHVKHVNWEJT-CJNGLKHVSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnn4c3CCC4)C2)C1=O ZINC001014658718 762966139 /nfs/dbraw/zinc/96/61/39/762966139.db2.gz MLQWHVKHVNWEJT-CJNGLKHVSA-N 1 1 343.431 0.420 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@H](C[NH2+]Cc3cn(C)nn3)C2)CC1 ZINC001051804024 763002579 /nfs/dbraw/zinc/00/25/79/763002579.db2.gz VADUIEMVSDBFPX-MRXNPFEDSA-N 1 1 333.436 0.879 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3nonc3C)C2)c1 ZINC001051817030 763032286 /nfs/dbraw/zinc/03/22/86/763032286.db2.gz NVPJVAUMLCNDMT-OAHLLOKOSA-N 1 1 341.371 0.385 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001046779623 763113476 /nfs/dbraw/zinc/11/34/76/763113476.db2.gz WBBZVXICTBIEBP-KDOFPFPSSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001046779623 763113483 /nfs/dbraw/zinc/11/34/83/763113483.db2.gz WBBZVXICTBIEBP-KDOFPFPSSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCCNC3=O)C2)nc1 ZINC001046781587 763116755 /nfs/dbraw/zinc/11/67/55/763116755.db2.gz KAZZVUSUSIXQEB-CRAIPNDOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCCNC3=O)C2)nc1 ZINC001046781587 763116757 /nfs/dbraw/zinc/11/67/57/763116757.db2.gz KAZZVUSUSIXQEB-CRAIPNDOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC001046781729 763117647 /nfs/dbraw/zinc/11/76/47/763117647.db2.gz NRUTWSMSYYPGRL-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCn2nc(C)nc2C)C1 ZINC001014775317 763134671 /nfs/dbraw/zinc/13/46/71/763134671.db2.gz MHXNUYQIXDLBQL-SJORKVTESA-N 1 1 344.463 0.183 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCc2nc(C)no2)C1 ZINC001014777188 763136410 /nfs/dbraw/zinc/13/64/10/763136410.db2.gz UJXMNECWMSMKKT-HOTGVXAUSA-N 1 1 345.447 0.599 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001105973146 763138329 /nfs/dbraw/zinc/13/83/29/763138329.db2.gz VBVLYXUTDPDUQX-GDBMZVCRSA-N 1 1 331.420 0.137 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001105973191 763140023 /nfs/dbraw/zinc/14/00/23/763140023.db2.gz WDHKWKMBXWYUBP-HIFRSBDPSA-N 1 1 349.410 0.854 20 30 ECEDMO Cn1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cc1=O ZINC001014784023 763147027 /nfs/dbraw/zinc/14/70/27/763147027.db2.gz HSKHXRRXKLRMNA-NSHDSACASA-N 1 1 343.412 0.718 20 30 ECEDMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cc1=O ZINC001014784023 763147033 /nfs/dbraw/zinc/14/70/33/763147033.db2.gz HSKHXRRXKLRMNA-NSHDSACASA-N 1 1 343.412 0.718 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001054636295 768111043 /nfs/dbraw/zinc/11/10/43/768111043.db2.gz JTCVSIRVROZWHD-OCCSQVGLSA-N 1 1 329.404 0.158 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(N)=O)C2)s1 ZINC001089852770 763176368 /nfs/dbraw/zinc/17/63/68/763176368.db2.gz KGAHKQRJDADBNP-HJPIBITLSA-N 1 1 344.440 0.774 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccc(C#N)cn3)C2)C1 ZINC001051879283 763190756 /nfs/dbraw/zinc/19/07/56/763190756.db2.gz UXEIYHMCPKDAGX-NRXISQOPSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccc(C#N)cn3)C2)C1 ZINC001051879283 763190764 /nfs/dbraw/zinc/19/07/64/763190764.db2.gz UXEIYHMCPKDAGX-NRXISQOPSA-N 1 1 329.404 0.591 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)ccc1F ZINC001014809103 763209183 /nfs/dbraw/zinc/20/91/83/763209183.db2.gz BJMOBZDDKWUXKF-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)ccc1F ZINC001014809103 763209189 /nfs/dbraw/zinc/20/91/89/763209189.db2.gz BJMOBZDDKWUXKF-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NCC2=CCN(c3cncc(C#N)n3)CC2)C1 ZINC001127669781 763210676 /nfs/dbraw/zinc/21/06/76/763210676.db2.gz HEAMYIWPGLASRY-OAHLLOKOSA-N 1 1 340.431 0.943 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000940527624 763367263 /nfs/dbraw/zinc/36/72/63/763367263.db2.gz BCAQMIRMIZFXDW-DLBZAZTESA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000940527624 763367270 /nfs/dbraw/zinc/36/72/70/763367270.db2.gz BCAQMIRMIZFXDW-DLBZAZTESA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001046933250 763412125 /nfs/dbraw/zinc/41/21/25/763412125.db2.gz CCMCZOHKZASNPT-LLVKDONJSA-N 1 1 327.331 0.689 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1C ZINC001105992437 763413204 /nfs/dbraw/zinc/41/32/04/763413204.db2.gz NCXDINCGLSANFP-MGPQQGTHSA-N 1 1 348.451 0.112 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001046937273 763421738 /nfs/dbraw/zinc/42/17/38/763421738.db2.gz DQEOSRWSLKHUBS-HZSPNIEDSA-N 1 1 341.402 0.998 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001046937273 763421742 /nfs/dbraw/zinc/42/17/42/763421742.db2.gz DQEOSRWSLKHUBS-HZSPNIEDSA-N 1 1 341.402 0.998 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 ZINC001120400833 763421982 /nfs/dbraw/zinc/42/19/82/763421982.db2.gz FIEJPZVAMMXWOP-CABCVRRESA-N 1 1 326.462 0.757 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046948985 763442620 /nfs/dbraw/zinc/44/26/20/763442620.db2.gz AOEIRENDAIZBGV-LBPRGKRZSA-N 1 1 338.358 0.491 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nnc(CC)o2)C1 ZINC001030463233 763443971 /nfs/dbraw/zinc/44/39/71/763443971.db2.gz GZGBQWQGIMLOPZ-OCCSQVGLSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nnc(CC)o2)C1 ZINC001030463233 763443973 /nfs/dbraw/zinc/44/39/73/763443973.db2.gz GZGBQWQGIMLOPZ-OCCSQVGLSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001046956820 763459948 /nfs/dbraw/zinc/45/99/48/763459948.db2.gz GRJTZUQVJDMSTA-SNVBAGLBSA-N 1 1 334.330 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001046956820 763459952 /nfs/dbraw/zinc/45/99/52/763459952.db2.gz GRJTZUQVJDMSTA-SNVBAGLBSA-N 1 1 334.330 0.673 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001105994602 763468138 /nfs/dbraw/zinc/46/81/38/763468138.db2.gz DAAPXZXHZHPNFP-CABCVRRESA-N 1 1 346.435 0.500 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046961373 763468525 /nfs/dbraw/zinc/46/85/25/763468525.db2.gz WJTKMVRGKGAUJV-LLVKDONJSA-N 1 1 326.347 0.653 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046962278 763471100 /nfs/dbraw/zinc/47/11/00/763471100.db2.gz GPDBYUZZYVGNDZ-RYUDHWBXSA-N 1 1 330.379 0.660 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046969451 763487477 /nfs/dbraw/zinc/48/74/77/763487477.db2.gz BSTJNHABDGKTIK-FRRDWIJNSA-N 1 1 343.374 0.116 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046969451 763487482 /nfs/dbraw/zinc/48/74/82/763487482.db2.gz BSTJNHABDGKTIK-FRRDWIJNSA-N 1 1 343.374 0.116 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001046998275 763540339 /nfs/dbraw/zinc/54/03/39/763540339.db2.gz JIOCMFFPQUTTAV-NEPJUHHUSA-N 1 1 328.363 0.236 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001046998275 763540346 /nfs/dbraw/zinc/54/03/46/763540346.db2.gz JIOCMFFPQUTTAV-NEPJUHHUSA-N 1 1 328.363 0.236 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCn2cncn2)C3)c[nH]1 ZINC001047053199 763597051 /nfs/dbraw/zinc/59/70/51/763597051.db2.gz UVUAICHMIYASBP-BJJXKVORSA-N 1 1 339.403 0.761 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)O1 ZINC001047071276 763627679 /nfs/dbraw/zinc/62/76/79/763627679.db2.gz MCXJXFQDFHGSTJ-RGCMKSIDSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)O1 ZINC001047071276 763627690 /nfs/dbraw/zinc/62/76/90/763627690.db2.gz MCXJXFQDFHGSTJ-RGCMKSIDSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)c1ccnn1C ZINC001052030171 763628146 /nfs/dbraw/zinc/62/81/46/763628146.db2.gz ISVOQCYUCWPJTG-LSDHHAIUSA-N 1 1 330.436 0.266 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031781 763633636 /nfs/dbraw/zinc/63/36/36/763633636.db2.gz WRCZPLKKXKYDPP-FGTMMUONSA-N 1 1 332.492 0.568 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnn3C(C)C)C2)CC1 ZINC001052032693 763634745 /nfs/dbraw/zinc/63/47/45/763634745.db2.gz IXWQSTLLMQAYKK-INIZCTEOSA-N 1 1 329.448 0.929 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052035893 763644697 /nfs/dbraw/zinc/64/46/97/763644697.db2.gz STLROYWRRNEPTN-OAHLLOKOSA-N 1 1 329.448 0.847 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C2)CC1 ZINC001052035881 763645336 /nfs/dbraw/zinc/64/53/36/763645336.db2.gz SNERHSCIWURCEY-ZDUSSCGKSA-N 1 1 341.419 0.371 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4n3CCC4)C2)CC1 ZINC001052037365 763655291 /nfs/dbraw/zinc/65/52/91/763655291.db2.gz LQSLUWQCDHIPJX-OAHLLOKOSA-N 1 1 329.448 0.847 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052040724 763663993 /nfs/dbraw/zinc/66/39/93/763663993.db2.gz GEMQNHGMXQWYAB-IRXDYDNUSA-N 1 1 333.480 0.603 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(CC)CCNC3=O)C2)CC1 ZINC001052041631 763668158 /nfs/dbraw/zinc/66/81/58/763668158.db2.gz NJRAYTVFZRQFBH-QFBILLFUSA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc4ncnn43)C2)CC1 ZINC001052046852 763688947 /nfs/dbraw/zinc/68/89/47/763688947.db2.gz FNESBJFOUVHPEL-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052050743 763707897 /nfs/dbraw/zinc/70/78/97/763707897.db2.gz YNEOXXFECWTUPK-IAGOWNOFSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052053453 763718333 /nfs/dbraw/zinc/71/83/33/763718333.db2.gz LMNCEMUDOYYVSU-RFSXOUPVSA-N 1 1 329.444 0.262 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)CC1 ZINC001052055170 763722923 /nfs/dbraw/zinc/72/29/23/763722923.db2.gz JIWATEFRJFIXBK-GVDBMIGSSA-N 1 1 343.475 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)CC1 ZINC001052055170 763722930 /nfs/dbraw/zinc/72/29/30/763722930.db2.gz JIWATEFRJFIXBK-GVDBMIGSSA-N 1 1 343.475 0.928 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)CC1 ZINC001052056260 763726911 /nfs/dbraw/zinc/72/69/11/763726911.db2.gz WGPGSMWZBRUHHQ-BRWVUGGUSA-N 1 1 341.459 0.375 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)CC1 ZINC001052058810 763736290 /nfs/dbraw/zinc/73/62/90/763736290.db2.gz AOAXBEYLAZCDQG-INIZCTEOSA-N 1 1 329.448 0.502 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCn3nc(C)cc3C)C2)CC1 ZINC001052059677 763736871 /nfs/dbraw/zinc/73/68/71/763736871.db2.gz LJWBVYHQMKZFON-SFHVURJKSA-N 1 1 343.475 0.742 20 30 ECEDMO Cc1ccn([C@@H](C)CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052060474 763739868 /nfs/dbraw/zinc/73/98/68/763739868.db2.gz FOCHXMYJPYEZBA-DLBZAZTESA-N 1 1 344.463 0.885 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC)C3)nn1 ZINC001047158554 763740975 /nfs/dbraw/zinc/74/09/75/763740975.db2.gz VJBPJRGCZWZACQ-MJBXVCDLSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC)C3)nn1 ZINC001047158553 763741223 /nfs/dbraw/zinc/74/12/23/763741223.db2.gz VJBPJRGCZWZACQ-IHRRRGAJSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052060786 763741620 /nfs/dbraw/zinc/74/16/20/763741620.db2.gz MCAMVHYOLJNRLJ-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052060786 763741625 /nfs/dbraw/zinc/74/16/25/763741625.db2.gz MCAMVHYOLJNRLJ-JKSUJKDBSA-N 1 1 334.464 0.402 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)CC1 ZINC001052068732 763763110 /nfs/dbraw/zinc/76/31/10/763763110.db2.gz MXOCYVGNDZISPH-OAHLLOKOSA-N 1 1 343.431 0.346 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3cc(C#N)ccc3F)C2)O1 ZINC001030516048 763763060 /nfs/dbraw/zinc/76/30/60/763763060.db2.gz RJURNIRGWYNTPX-SJKOYZFVSA-N 1 1 346.406 0.717 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3cc(C#N)ccc3F)C2)O1 ZINC001030516048 763763064 /nfs/dbraw/zinc/76/30/64/763763064.db2.gz RJURNIRGWYNTPX-SJKOYZFVSA-N 1 1 346.406 0.717 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC)C3)nc1 ZINC001047184299 763780013 /nfs/dbraw/zinc/78/00/13/763780013.db2.gz XJLYOJFNBKEUQU-KKUMJFAQSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC)C3)cn1 ZINC001047185779 763780963 /nfs/dbraw/zinc/78/09/63/763780963.db2.gz KMIHUUJTZQOZBX-RCBQFDQVSA-N 1 1 326.400 0.392 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052077714 763788071 /nfs/dbraw/zinc/78/80/71/763788071.db2.gz UPQIDSXEOKPNOB-ZWKOTPCHSA-N 1 1 334.508 0.814 20 30 ECEDMO CC#CCN1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052081684 763799458 /nfs/dbraw/zinc/79/94/58/763799458.db2.gz FBRFKLBABKZHIZ-SFHVURJKSA-N 1 1 346.519 0.960 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cc(C)on3)C2)CC1 ZINC001052082928 763804057 /nfs/dbraw/zinc/80/40/57/763804057.db2.gz YFEGPCGRWQDCMM-KRWDZBQOSA-N 1 1 330.432 0.767 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nccn4ccnc34)C2)CC1 ZINC001052085206 763811249 /nfs/dbraw/zinc/81/12/49/763811249.db2.gz ACBODQOZVVXALZ-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2cnco2)CC1 ZINC001017592274 768165593 /nfs/dbraw/zinc/16/55/93/768165593.db2.gz LSUROXCDJHTGGC-HNNXBMFYSA-N 1 1 342.399 0.661 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2cnco2)CC1 ZINC001017592274 768165597 /nfs/dbraw/zinc/16/55/97/768165597.db2.gz LSUROXCDJHTGGC-HNNXBMFYSA-N 1 1 342.399 0.661 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CCC3CCOCC3)C2)CC1 ZINC001052092492 763833000 /nfs/dbraw/zinc/83/30/00/763833000.db2.gz FVJSFNBWDKOIGI-KRWDZBQOSA-N 1 1 334.464 0.935 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)C2)CC1 ZINC001052097977 763851732 /nfs/dbraw/zinc/85/17/32/763851732.db2.gz AWTMBMHNBBFUPF-WMLDXEAASA-N 1 1 343.475 0.982 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)n[nH]c3C)C2)CC1 ZINC001052098683 763854558 /nfs/dbraw/zinc/85/45/58/763854558.db2.gz NDBVFIOQWIAZLQ-INIZCTEOSA-N 1 1 329.448 0.882 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)c1cccnc1 ZINC001052107767 763887058 /nfs/dbraw/zinc/88/70/58/763887058.db2.gz GZSYZGVTDUJUOQ-NVXWUHKLSA-N 1 1 327.432 0.927 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccc(C#N)cn2)C1 ZINC001106345096 768173248 /nfs/dbraw/zinc/17/32/48/768173248.db2.gz VZAPSMFNLJZVEB-HIFRSBDPSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccc(C#N)cn2)C1 ZINC001106345096 768173251 /nfs/dbraw/zinc/17/32/51/768173251.db2.gz VZAPSMFNLJZVEB-HIFRSBDPSA-N 1 1 331.420 0.981 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CN3CCCCCC3=O)C2)CC1 ZINC001052116953 763925759 /nfs/dbraw/zinc/92/57/59/763925759.db2.gz CAQDVONMLVZINL-QGZVFWFLSA-N 1 1 346.475 0.241 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)CC1 ZINC001052118172 763931102 /nfs/dbraw/zinc/93/11/02/763931102.db2.gz NGICETPMTBKTLH-AWEZNQCLSA-N 1 1 331.420 0.132 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)CC1 ZINC001052118172 763931107 /nfs/dbraw/zinc/93/11/07/763931107.db2.gz NGICETPMTBKTLH-AWEZNQCLSA-N 1 1 331.420 0.132 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCc4nncn4C3)C2)CC1 ZINC001052119379 763936625 /nfs/dbraw/zinc/93/66/25/763936625.db2.gz QCXMNSVMNXEWMR-JKSUJKDBSA-N 1 1 344.463 0.245 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCc4nncn4C3)C2)CC1 ZINC001052119379 763936627 /nfs/dbraw/zinc/93/66/27/763936627.db2.gz QCXMNSVMNXEWMR-JKSUJKDBSA-N 1 1 344.463 0.245 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCS1(=O)=O ZINC001017600648 768176399 /nfs/dbraw/zinc/17/63/99/768176399.db2.gz OLOUQCCENCKCSK-GASCZTMLSA-N 1 1 341.477 0.663 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCn3cc(C)cn3)C2)CC1 ZINC001052122567 763947157 /nfs/dbraw/zinc/94/71/57/763947157.db2.gz WWAYMSIJPJEPCS-KRWDZBQOSA-N 1 1 331.464 0.986 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCn3cc(C)cn3)C2)CC1 ZINC001052122567 763947159 /nfs/dbraw/zinc/94/71/59/763947159.db2.gz WWAYMSIJPJEPCS-KRWDZBQOSA-N 1 1 331.464 0.986 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052124202 763951121 /nfs/dbraw/zinc/95/11/21/763951121.db2.gz ZQNIGISIWKHAFA-RDJZCZTQSA-N 1 1 331.464 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052124202 763951125 /nfs/dbraw/zinc/95/11/25/763951125.db2.gz ZQNIGISIWKHAFA-RDJZCZTQSA-N 1 1 331.464 0.928 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3coc(COC)n3)C2)nn1 ZINC001098761432 763965866 /nfs/dbraw/zinc/96/58/66/763965866.db2.gz FFLGDRWBOMEQPX-ZDUSSCGKSA-N 1 1 346.391 0.775 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001047324162 763998298 /nfs/dbraw/zinc/99/82/98/763998298.db2.gz KFOQJZQIXPCJAJ-BZSNNMDCSA-N 1 1 342.443 0.656 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001017609541 768184643 /nfs/dbraw/zinc/18/46/43/768184643.db2.gz QLAHTFAQDUXVSY-BETUJISGSA-N 1 1 339.399 0.986 20 30 ECEDMO CCOC1CC(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001047353851 764089978 /nfs/dbraw/zinc/08/99/78/764089978.db2.gz NFZMECPYRUSKOJ-KNHPQMQCSA-N 1 1 346.431 0.819 20 30 ECEDMO CN(C(=O)c1cn(C)nn1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047366966 764130567 /nfs/dbraw/zinc/13/05/67/764130567.db2.gz BFRZPNFLEYFUHH-HOTGVXAUSA-N 1 1 340.387 0.004 20 30 ECEDMO CN(C(=O)c1cn(C)nn1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047366966 764130570 /nfs/dbraw/zinc/13/05/70/764130570.db2.gz BFRZPNFLEYFUHH-HOTGVXAUSA-N 1 1 340.387 0.004 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001047380403 764169591 /nfs/dbraw/zinc/16/95/91/764169591.db2.gz MVBUZORJNJXPGG-XIRDDKMYSA-N 1 1 346.402 0.904 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001047380403 764169598 /nfs/dbraw/zinc/16/95/98/764169598.db2.gz MVBUZORJNJXPGG-XIRDDKMYSA-N 1 1 346.402 0.904 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(OC)n(C)n3)C2)C1=O ZINC001015219687 764176682 /nfs/dbraw/zinc/17/66/82/764176682.db2.gz ZHLLIDWTFJTLJI-OCCSQVGLSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(OC)n(C)n3)C2)C1=O ZINC001015219687 764176690 /nfs/dbraw/zinc/17/66/90/764176690.db2.gz ZHLLIDWTFJTLJI-OCCSQVGLSA-N 1 1 347.419 0.020 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001047388701 764188155 /nfs/dbraw/zinc/18/81/55/764188155.db2.gz IOMKKQRUSQSNJQ-HOTGVXAUSA-N 1 1 332.448 0.842 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(CC)c(CC)n[nH]c2=O)C1 ZINC001047398290 764215417 /nfs/dbraw/zinc/21/54/17/764215417.db2.gz JGKIDCHGRNGJRH-KBPBESRZSA-N 1 1 332.404 0.057 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(CC)c(CC)n[nH]c2=O)C1 ZINC001047398290 764215423 /nfs/dbraw/zinc/21/54/23/764215423.db2.gz JGKIDCHGRNGJRH-KBPBESRZSA-N 1 1 332.404 0.057 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2C[NH+]([C@@H](C)C(=O)NC)C2)cc1 ZINC001032033387 764217175 /nfs/dbraw/zinc/21/71/75/764217175.db2.gz ZLFDCJFXIYEDNY-ZDUSSCGKSA-N 1 1 329.400 0.495 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC(=O)N2)C1 ZINC000995261129 764242173 /nfs/dbraw/zinc/24/21/73/764242173.db2.gz SEKNIIDETJGIQF-IAGOWNOFSA-N 1 1 340.427 0.644 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001083778314 764251655 /nfs/dbraw/zinc/25/16/55/764251655.db2.gz ILDQWZWDXSQIMU-QRQLOZEOSA-N 1 1 341.455 0.684 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001047409917 764257438 /nfs/dbraw/zinc/25/74/38/764257438.db2.gz ARBRNJJDXBOJIS-RYUDHWBXSA-N 1 1 332.326 0.749 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001047409917 764257445 /nfs/dbraw/zinc/25/74/45/764257445.db2.gz ARBRNJJDXBOJIS-RYUDHWBXSA-N 1 1 332.326 0.749 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn3ccccc23)C1 ZINC001047413119 764266686 /nfs/dbraw/zinc/26/66/86/764266686.db2.gz XDAXOPZLGJPNID-IRXDYDNUSA-N 1 1 328.416 0.956 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001047414775 764271532 /nfs/dbraw/zinc/27/15/32/764271532.db2.gz SDWWTYKIOCALDQ-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000995269661 764271622 /nfs/dbraw/zinc/27/16/22/764271622.db2.gz SEKNIIDETJGIQF-SJORKVTESA-N 1 1 340.427 0.644 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC(F)F)nc2C)C1 ZINC001047419437 764288576 /nfs/dbraw/zinc/28/85/76/764288576.db2.gz LPOFUDNDEBWMBO-KBPBESRZSA-N 1 1 340.374 0.597 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001047432804 764330031 /nfs/dbraw/zinc/33/00/31/764330031.db2.gz ISPNNBIAFHLGGC-RDBSUJKOSA-N 1 1 349.435 0.016 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001047433976 764334370 /nfs/dbraw/zinc/33/43/70/764334370.db2.gz OVGQCABNNWXZBA-GJZGRUSLSA-N 1 1 332.404 0.422 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001047433976 764334372 /nfs/dbraw/zinc/33/43/72/764334372.db2.gz OVGQCABNNWXZBA-GJZGRUSLSA-N 1 1 332.404 0.422 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001047434885 764335747 /nfs/dbraw/zinc/33/57/47/764335747.db2.gz ANFSXJADEKTVJP-XIRDDKMYSA-N 1 1 332.448 0.915 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(c4nccnc4C#N)C[C@@]3(C)C2)C1 ZINC001052365944 764340243 /nfs/dbraw/zinc/34/02/43/764340243.db2.gz MYDDSRCNDGWPCJ-LBTNJELSSA-N 1 1 340.431 0.585 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(c4ccc(C#N)nn4)C[C@@]3(C)C2)C1 ZINC001052366424 764341949 /nfs/dbraw/zinc/34/19/49/764341949.db2.gz XLNMOFJXEKIHAB-LBTNJELSSA-N 1 1 340.431 0.585 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001047442232 764360211 /nfs/dbraw/zinc/36/02/11/764360211.db2.gz VCGKFOXSSVEUDU-GJZGRUSLSA-N 1 1 344.415 0.660 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001047448682 764379101 /nfs/dbraw/zinc/37/91/01/764379101.db2.gz WDVWFRZQVIPEKA-IRXDYDNUSA-N 1 1 331.416 0.626 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001047448682 764379111 /nfs/dbraw/zinc/37/91/11/764379111.db2.gz WDVWFRZQVIPEKA-IRXDYDNUSA-N 1 1 331.416 0.626 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CN(CC)CCO3)C2)nn1 ZINC001098784944 768211425 /nfs/dbraw/zinc/21/14/25/768211425.db2.gz NSTMNFRUJSXZKX-HZPDHXFCSA-N 1 1 348.451 0.048 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COC1CCOCC1 ZINC001089872654 764400512 /nfs/dbraw/zinc/40/05/12/764400512.db2.gz IDMXGTXKGHOIQB-HPBDAGMYSA-N 1 1 332.444 0.984 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(OC)ccn23)C1 ZINC001047458271 764405249 /nfs/dbraw/zinc/40/52/49/764405249.db2.gz IZHVJRBBSVZFIE-GJZGRUSLSA-N 1 1 330.388 0.646 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(OC)ccn23)C1 ZINC001047458271 764405254 /nfs/dbraw/zinc/40/52/54/764405254.db2.gz IZHVJRBBSVZFIE-GJZGRUSLSA-N 1 1 330.388 0.646 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001047462559 764417490 /nfs/dbraw/zinc/41/74/90/764417490.db2.gz IJQFAJKBZCYJGY-ILXRZTDVSA-N 1 1 333.436 0.310 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001047462511 764418137 /nfs/dbraw/zinc/41/81/37/764418137.db2.gz GLJXUNQOSLVWFY-PMPSAXMXSA-N 1 1 347.463 0.700 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001047470687 764434847 /nfs/dbraw/zinc/43/48/47/764434847.db2.gz VJHRNTWWDKIJOV-KKUMJFAQSA-N 1 1 348.472 0.639 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001047479112 764463909 /nfs/dbraw/zinc/46/39/09/764463909.db2.gz AJROOWCMDMLXSI-GJZGRUSLSA-N 1 1 348.447 0.480 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001047479176 764464753 /nfs/dbraw/zinc/46/47/53/764464753.db2.gz DHWAYKFVKCDYJQ-HOTGVXAUSA-N 1 1 343.431 0.904 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001047479615 764466406 /nfs/dbraw/zinc/46/64/06/764466406.db2.gz USQKZMWGKVMZMB-GJZGRUSLSA-N 1 1 329.404 0.514 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001047479615 764466409 /nfs/dbraw/zinc/46/64/09/764466409.db2.gz USQKZMWGKVMZMB-GJZGRUSLSA-N 1 1 329.404 0.514 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001052427661 764471338 /nfs/dbraw/zinc/47/13/38/764471338.db2.gz BCIYVCOUQXAUMB-OAHLLOKOSA-N 1 1 343.493 0.959 20 30 ECEDMO Cc1n[nH]nc1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047480993 764472312 /nfs/dbraw/zinc/47/23/12/764472312.db2.gz TYLGBQVUYPIBNT-GJZGRUSLSA-N 1 1 340.387 0.302 20 30 ECEDMO Cc1n[nH]nc1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047480993 764472319 /nfs/dbraw/zinc/47/23/19/764472319.db2.gz TYLGBQVUYPIBNT-GJZGRUSLSA-N 1 1 340.387 0.302 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CNC(=O)C1 ZINC001015375789 764472754 /nfs/dbraw/zinc/47/27/54/764472754.db2.gz KSKNDQTULVWNAU-QAPCUYQASA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CNC(=O)C1 ZINC001015375789 764472755 /nfs/dbraw/zinc/47/27/55/764472755.db2.gz KSKNDQTULVWNAU-QAPCUYQASA-N 1 1 326.400 0.775 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC001052438818 764497580 /nfs/dbraw/zinc/49/75/80/764497580.db2.gz CAEPNLQHVDZAHS-LSDHHAIUSA-N 1 1 326.462 0.948 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001047500702 764524260 /nfs/dbraw/zinc/52/42/60/764524260.db2.gz GBGSFEBFGQKRJT-JQFCIGGWSA-N 1 1 332.448 0.920 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC001047507202 764544662 /nfs/dbraw/zinc/54/46/62/764544662.db2.gz LKOYDGBGUGBDII-ROUUACIJSA-N 1 1 325.412 0.858 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC001047507202 764544665 /nfs/dbraw/zinc/54/46/65/764544665.db2.gz LKOYDGBGUGBDII-ROUUACIJSA-N 1 1 325.412 0.858 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098766754 764564462 /nfs/dbraw/zinc/56/44/62/764564462.db2.gz GRBKBTUNSOOIOB-DOTOQJQBSA-N 1 1 344.463 0.506 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766754 764564468 /nfs/dbraw/zinc/56/44/68/764564468.db2.gz GRBKBTUNSOOIOB-DOTOQJQBSA-N 1 1 344.463 0.506 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(CC=C)nn1 ZINC001089874493 764590975 /nfs/dbraw/zinc/59/09/75/764590975.db2.gz HRXZGTRTGCFLSJ-HWMZRRJGSA-N 1 1 325.416 0.880 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(=O)n(CC)n1 ZINC001089874606 764592342 /nfs/dbraw/zinc/59/23/42/764592342.db2.gz ALMIDALGDUNJCA-HWMZRRJGSA-N 1 1 340.427 0.679 20 30 ECEDMO CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047528368 764602437 /nfs/dbraw/zinc/60/24/37/764602437.db2.gz PFKLSPSFTQWNPU-XEZPLFJOSA-N 1 1 326.416 0.226 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C ZINC001088963328 764635414 /nfs/dbraw/zinc/63/54/14/764635414.db2.gz BKGNYCCHLFYLEP-KGLIPLIRSA-N 1 1 333.436 0.536 20 30 ECEDMO C[C@@H](CCNc1cncc(C#N)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001106382506 768228101 /nfs/dbraw/zinc/22/81/01/768228101.db2.gz CLWYWPRDYPMMRX-ZDUSSCGKSA-N 1 1 332.408 0.377 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC001047545866 764653279 /nfs/dbraw/zinc/65/32/79/764653279.db2.gz SRYHXEVGRSEOOC-HOTGVXAUSA-N 1 1 344.415 0.822 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001047553853 764678545 /nfs/dbraw/zinc/67/85/45/764678545.db2.gz AQGZTSONYZWBEC-IUCAKERBSA-N 1 1 333.314 0.137 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001047553853 764678554 /nfs/dbraw/zinc/67/85/54/764678554.db2.gz AQGZTSONYZWBEC-IUCAKERBSA-N 1 1 333.314 0.137 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001047557537 764688374 /nfs/dbraw/zinc/68/83/74/764688374.db2.gz ASSQAMYMDNSMLD-IKGGRYGDSA-N 1 1 335.448 0.304 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001047558162 764691828 /nfs/dbraw/zinc/69/18/28/764691828.db2.gz ZFSKVBADQAJRTN-IKGGRYGDSA-N 1 1 335.448 0.304 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001047558162 764691833 /nfs/dbraw/zinc/69/18/33/764691833.db2.gz ZFSKVBADQAJRTN-IKGGRYGDSA-N 1 1 335.448 0.304 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001047565186 764705544 /nfs/dbraw/zinc/70/55/44/764705544.db2.gz HKECIONMHIYROA-GJZGRUSLSA-N 1 1 341.415 0.715 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001047565186 764705548 /nfs/dbraw/zinc/70/55/48/764705548.db2.gz HKECIONMHIYROA-GJZGRUSLSA-N 1 1 341.415 0.715 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001052544385 764725165 /nfs/dbraw/zinc/72/51/65/764725165.db2.gz NOSFKSBTKNXBRJ-AWEZNQCLSA-N 1 1 334.420 0.660 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001052554897 764748221 /nfs/dbraw/zinc/74/82/21/764748221.db2.gz TUIGBIYXGLVWPI-CJNGLKHVSA-N 1 1 328.416 0.816 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001047580809 764763624 /nfs/dbraw/zinc/76/36/24/764763624.db2.gz WGXCSURCBXLREH-BPUTZDHNSA-N 1 1 349.435 0.008 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC001052582315 764797753 /nfs/dbraw/zinc/79/77/53/764797753.db2.gz NFISYPULPMNZIN-KSZLIROESA-N 1 1 349.475 0.470 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001047592580 764807881 /nfs/dbraw/zinc/80/78/81/764807881.db2.gz WSABGOKJGMEVKK-KBPBESRZSA-N 1 1 330.392 0.113 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001047592580 764807889 /nfs/dbraw/zinc/80/78/89/764807889.db2.gz WSABGOKJGMEVKK-KBPBESRZSA-N 1 1 330.392 0.113 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC1=O ZINC001015502239 764814216 /nfs/dbraw/zinc/81/42/16/764814216.db2.gz DSTOANJTFRXBDW-HOTGVXAUSA-N 1 1 329.375 0.504 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC1=O ZINC001015502239 764814224 /nfs/dbraw/zinc/81/42/24/764814224.db2.gz DSTOANJTFRXBDW-HOTGVXAUSA-N 1 1 329.375 0.504 20 30 ECEDMO CC(=O)N1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001032156735 764826885 /nfs/dbraw/zinc/82/68/85/764826885.db2.gz YJVVNSSYSGJTDV-GOSISDBHSA-N 1 1 340.427 0.975 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](CC)OC)C[C@@H]2O)cn1 ZINC001047599158 764836065 /nfs/dbraw/zinc/83/60/65/764836065.db2.gz KAQXXJLCIWVDCV-ULQDDVLXSA-N 1 1 331.416 0.605 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001047599100 764837145 /nfs/dbraw/zinc/83/71/45/764837145.db2.gz HULHFGBKGSMKAT-GJZGRUSLSA-N 1 1 326.356 0.487 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001047599100 764837147 /nfs/dbraw/zinc/83/71/47/764837147.db2.gz HULHFGBKGSMKAT-GJZGRUSLSA-N 1 1 326.356 0.487 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001047599580 764838052 /nfs/dbraw/zinc/83/80/52/764838052.db2.gz AQCANQKNNGJIGY-HOTGVXAUSA-N 1 1 331.416 0.692 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001047599580 764838059 /nfs/dbraw/zinc/83/80/59/764838059.db2.gz AQCANQKNNGJIGY-HOTGVXAUSA-N 1 1 331.416 0.692 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001015513434 764846583 /nfs/dbraw/zinc/84/65/83/764846583.db2.gz DPGLBIYKYZZRBR-MFKMUULPSA-N 1 1 333.417 0.334 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001015513434 764846589 /nfs/dbraw/zinc/84/65/89/764846589.db2.gz DPGLBIYKYZZRBR-MFKMUULPSA-N 1 1 333.417 0.334 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001015515501 764854341 /nfs/dbraw/zinc/85/43/41/764854341.db2.gz WQPQCNGGWHUVQC-LSDHHAIUSA-N 1 1 327.388 0.272 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)nn1 ZINC001098773833 764903467 /nfs/dbraw/zinc/90/34/67/764903467.db2.gz JBNKYIMYMIXJKD-QGZVFWFLSA-N 1 1 346.479 0.896 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)CC2)n1 ZINC001052635460 764905781 /nfs/dbraw/zinc/90/57/81/764905781.db2.gz IXRYVXXMGJCCIU-INIZCTEOSA-N 1 1 338.415 0.846 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001047621715 764905929 /nfs/dbraw/zinc/90/59/29/764905929.db2.gz YJWMOXHKXCITAE-GJZGRUSLSA-N 1 1 338.452 0.247 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001047623950 764910727 /nfs/dbraw/zinc/91/07/27/764910727.db2.gz YABUICMBHGBKNU-HOTGVXAUSA-N 1 1 348.447 0.811 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001047624660 764915546 /nfs/dbraw/zinc/91/55/46/764915546.db2.gz VSRORQSVKPDKKT-GJZGRUSLSA-N 1 1 334.420 0.347 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC001015545168 764923585 /nfs/dbraw/zinc/92/35/85/764923585.db2.gz JHQCTCFKBQIGIG-ZDUSSCGKSA-N 1 1 341.375 0.117 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC001015545168 764923591 /nfs/dbraw/zinc/92/35/91/764923591.db2.gz JHQCTCFKBQIGIG-ZDUSSCGKSA-N 1 1 341.375 0.117 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C2)nn1 ZINC001098774126 764934784 /nfs/dbraw/zinc/93/47/84/764934784.db2.gz NSFLQLMJCFFNGT-QGZVFWFLSA-N 1 1 346.479 0.896 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001098774126 764934793 /nfs/dbraw/zinc/93/47/93/764934793.db2.gz NSFLQLMJCFFNGT-QGZVFWFLSA-N 1 1 346.479 0.896 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001099101963 765023036 /nfs/dbraw/zinc/02/30/36/765023036.db2.gz HMVLNBFAVRGQHK-AWEZNQCLSA-N 1 1 343.493 0.556 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@@H]12 ZINC000991976129 765028910 /nfs/dbraw/zinc/02/89/10/765028910.db2.gz QOUVDPZFJSZBMX-DAYGRLMNSA-N 1 1 341.415 0.502 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)cc1F ZINC001015625706 765096656 /nfs/dbraw/zinc/09/66/56/765096656.db2.gz CHSSOHOQHCQQMV-CYBMUJFWSA-N 1 1 341.346 0.785 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)cc1F ZINC001015625706 765096664 /nfs/dbraw/zinc/09/66/64/765096664.db2.gz CHSSOHOQHCQQMV-CYBMUJFWSA-N 1 1 341.346 0.785 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001052784256 765115758 /nfs/dbraw/zinc/11/57/58/765115758.db2.gz OPZMOAZASVSKKE-OAHLLOKOSA-N 1 1 346.435 0.173 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786544 765119893 /nfs/dbraw/zinc/11/98/93/765119893.db2.gz XMOQQZFZKFBGDR-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)CN3C(=O)CCC3=O)C2)C1 ZINC001015671272 765145273 /nfs/dbraw/zinc/14/52/73/765145273.db2.gz WYQQUXAOQYIOPF-UONOGXRCSA-N 1 1 349.431 0.043 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)c1 ZINC000992011087 765149222 /nfs/dbraw/zinc/14/92/22/765149222.db2.gz QFMFQZKLFMHGHI-HOCLYGCPSA-N 1 1 341.415 0.844 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)c1 ZINC001015678775 765150643 /nfs/dbraw/zinc/15/06/43/765150643.db2.gz NIKIBBCHBFNRDR-JKSUJKDBSA-N 1 1 336.399 0.646 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)c1 ZINC001015679870 765151487 /nfs/dbraw/zinc/15/14/87/765151487.db2.gz OCYIZAOUQJKMSZ-SJORKVTESA-N 1 1 339.399 0.125 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001052824551 765185903 /nfs/dbraw/zinc/18/59/03/765185903.db2.gz NPYZACWCSDWWHH-CKEIUWERSA-N 1 1 343.431 0.472 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001052824551 765185906 /nfs/dbraw/zinc/18/59/06/765185906.db2.gz NPYZACWCSDWWHH-CKEIUWERSA-N 1 1 343.431 0.472 20 30 ECEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@H](OC)C1 ZINC001212195896 765226297 /nfs/dbraw/zinc/22/62/97/765226297.db2.gz HLERFUXNEPCDPN-MGPQQGTHSA-N 1 1 325.409 0.657 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001015724211 765241640 /nfs/dbraw/zinc/24/16/40/765241640.db2.gz POVRULJRZJGVOV-UONOGXRCSA-N 1 1 331.420 0.618 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001015724211 765241643 /nfs/dbraw/zinc/24/16/43/765241643.db2.gz POVRULJRZJGVOV-UONOGXRCSA-N 1 1 331.420 0.618 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001052864488 765249069 /nfs/dbraw/zinc/24/90/69/765249069.db2.gz HIMWZXKIFHRPJA-LBPRGKRZSA-N 1 1 330.392 0.578 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)CC2)cn1 ZINC001052877381 765283675 /nfs/dbraw/zinc/28/36/75/765283675.db2.gz KRQSAUNRSZEDFR-MRXNPFEDSA-N 1 1 328.416 0.735 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)cc1 ZINC001015803796 765355610 /nfs/dbraw/zinc/35/56/10/765355610.db2.gz PRPGQMRDUYBQND-INIZCTEOSA-N 1 1 341.411 0.735 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)cc1 ZINC001015803796 765355615 /nfs/dbraw/zinc/35/56/15/765355615.db2.gz PRPGQMRDUYBQND-INIZCTEOSA-N 1 1 341.411 0.735 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001015809394 765366804 /nfs/dbraw/zinc/36/68/04/765366804.db2.gz NJZZLZDSZVXJBZ-ZBFHGGJFSA-N 1 1 327.384 0.391 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001015809394 765366808 /nfs/dbraw/zinc/36/68/08/765366808.db2.gz NJZZLZDSZVXJBZ-ZBFHGGJFSA-N 1 1 327.384 0.391 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCO[C@@H]3CC3(F)F)C2)nn1 ZINC001015809410 765367700 /nfs/dbraw/zinc/36/77/00/765367700.db2.gz AEWPXWLLQVTFTQ-WCQYABFASA-N 1 1 341.362 0.692 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)C2)nn1 ZINC001015809410 765367708 /nfs/dbraw/zinc/36/77/08/765367708.db2.gz AEWPXWLLQVTFTQ-WCQYABFASA-N 1 1 341.362 0.692 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCc3cnn(C)c3)C2)nn1 ZINC001015811010 765369640 /nfs/dbraw/zinc/36/96/40/765369640.db2.gz XPTYQEMMGSZGPK-CQSZACIVSA-N 1 1 329.408 0.244 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)nn1 ZINC001015812484 765373004 /nfs/dbraw/zinc/37/30/04/765373004.db2.gz DJNPUKHZLKKOIC-AWEZNQCLSA-N 1 1 342.403 0.167 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015829249 765392275 /nfs/dbraw/zinc/39/22/75/765392275.db2.gz PFJNQQLGQQGENE-KKUMJFAQSA-N 1 1 336.436 0.183 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)C1 ZINC001053015071 765488171 /nfs/dbraw/zinc/48/81/71/765488171.db2.gz GQDPBIJDAQJDLQ-QZTJIDSGSA-N 1 1 333.476 0.902 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]([C@H]3CCC[N@H+](CC(N)=O)C3)C2)c1 ZINC001053015754 765488891 /nfs/dbraw/zinc/48/88/91/765488891.db2.gz LOJBWNOPNRDWCY-LSDHHAIUSA-N 1 1 343.431 0.936 20 30 ECEDMO C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)c1c[nH]c(C#N)c1 ZINC001077496702 765677680 /nfs/dbraw/zinc/67/76/80/765677680.db2.gz FLSTZKVATOAOLZ-STQMWFEESA-N 1 1 331.420 0.853 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]c(CC)n2)c1 ZINC001106100070 765705924 /nfs/dbraw/zinc/70/59/24/765705924.db2.gz JTLRWDCBAGENIS-OAHLLOKOSA-N 1 1 339.399 0.927 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)cn1 ZINC001016017426 765724361 /nfs/dbraw/zinc/72/43/61/765724361.db2.gz UCUPLMRMFJTMFR-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC001016021681 765726629 /nfs/dbraw/zinc/72/66/29/765726629.db2.gz YZQZXSQIRQIYIT-JSGCOSHPSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001016021681 765726637 /nfs/dbraw/zinc/72/66/37/765726637.db2.gz YZQZXSQIRQIYIT-JSGCOSHPSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+]([C@H](CC)C(N)=O)C1 ZINC001016021683 765726813 /nfs/dbraw/zinc/72/68/13/765726813.db2.gz YZQZXSQIRQIYIT-TZMCWYRMSA-N 1 1 330.388 0.162 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001016021683 765726816 /nfs/dbraw/zinc/72/68/16/765726816.db2.gz YZQZXSQIRQIYIT-TZMCWYRMSA-N 1 1 330.388 0.162 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C2)nc1 ZINC001016026054 765729931 /nfs/dbraw/zinc/72/99/31/765729931.db2.gz CLPVNIIWDYLZDC-WBVHZDCISA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C2)nc1 ZINC001016026054 765729937 /nfs/dbraw/zinc/72/99/37/765729937.db2.gz CLPVNIIWDYLZDC-WBVHZDCISA-N 1 1 340.427 0.876 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)[C@@H](O)C1 ZINC001083729595 768317044 /nfs/dbraw/zinc/31/70/44/768317044.db2.gz JAMZYDNWPNDSCM-UPJWGTAASA-N 1 1 335.370 0.608 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCOC3(C[NH+](C[C@H]4CCOC4)C3)C2)[nH]1 ZINC001053216366 765776023 /nfs/dbraw/zinc/77/60/23/765776023.db2.gz FCNIYQXOQNLHIZ-CYBMUJFWSA-N 1 1 330.388 0.450 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2cc(F)ncn2)C[C@H]1C ZINC001053227450 765795841 /nfs/dbraw/zinc/79/58/41/765795841.db2.gz FVIINWUSJNKQOF-KFWWJZLASA-N 1 1 345.422 0.902 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2cc(F)ncn2)C[C@H]1C ZINC001053227450 765795846 /nfs/dbraw/zinc/79/58/46/765795846.db2.gz FVIINWUSJNKQOF-KFWWJZLASA-N 1 1 345.422 0.902 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)C[N@H+]2CCC(C)(C)C2)ccc1C#N ZINC001106108737 765859390 /nfs/dbraw/zinc/85/93/90/765859390.db2.gz NQSSKSLGPANFEE-OAHLLOKOSA-N 1 1 345.447 0.883 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)CC(C)(C)C ZINC001106109143 765869005 /nfs/dbraw/zinc/86/90/05/765869005.db2.gz UTYGZDSCFALMHC-ZDUSSCGKSA-N 1 1 334.424 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cccnc2)C1 ZINC001016186081 765883456 /nfs/dbraw/zinc/88/34/56/765883456.db2.gz XVQMLXWOWAAOJR-JCYILVPMSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cccnc2)C1 ZINC001016186081 765883459 /nfs/dbraw/zinc/88/34/59/765883459.db2.gz XVQMLXWOWAAOJR-JCYILVPMSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CCO2 ZINC001053304355 765939530 /nfs/dbraw/zinc/93/95/30/765939530.db2.gz HRYRFXBBLKEPTP-SJORKVTESA-N 1 1 331.460 0.940 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CCO2 ZINC001053304352 765939813 /nfs/dbraw/zinc/93/98/13/765939813.db2.gz HRYRFXBBLKEPTP-DLBZAZTESA-N 1 1 331.460 0.940 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CCO2 ZINC001053304382 765940939 /nfs/dbraw/zinc/94/09/39/765940939.db2.gz ILURNFMZBOTYQR-SJORKVTESA-N 1 1 331.460 0.940 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC(=O)N[C@@H](C)C1)CCO2 ZINC001053321228 765967146 /nfs/dbraw/zinc/96/71/46/765967146.db2.gz BHHDUNKSNJPJDR-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccccc3C#N)C2)C1 ZINC001030840197 765968865 /nfs/dbraw/zinc/96/88/65/765968865.db2.gz YXMWJLNFERHPGQ-GOSISDBHSA-N 1 1 342.443 0.968 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccccc3C#N)C2)C1 ZINC001030840197 765968869 /nfs/dbraw/zinc/96/88/69/765968869.db2.gz YXMWJLNFERHPGQ-GOSISDBHSA-N 1 1 342.443 0.968 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)Cn1c[nH+]c3c1CCCC3)CCO2 ZINC001053342524 766004270 /nfs/dbraw/zinc/00/42/70/766004270.db2.gz CLLUKHHFKDSLSF-UHFFFAOYSA-N 1 1 342.443 0.698 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(C(=O)C#CC2CC2)CC1 ZINC001017738862 768338749 /nfs/dbraw/zinc/33/87/49/768338749.db2.gz YLSRWULYGOWHKL-WMLDXEAASA-N 1 1 329.444 0.872 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCCS1(=O)=O ZINC001017739480 768339445 /nfs/dbraw/zinc/33/94/45/768339445.db2.gz MUOSAIXEEBRYJB-OKILXGFUSA-N 1 1 327.450 0.273 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCCS1(=O)=O ZINC001017739480 768339452 /nfs/dbraw/zinc/33/94/52/768339452.db2.gz MUOSAIXEEBRYJB-OKILXGFUSA-N 1 1 327.450 0.273 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)[nH]1 ZINC001007099708 766018759 /nfs/dbraw/zinc/01/87/59/766018759.db2.gz LJTPTNYVWYJTEC-ZDUSSCGKSA-N 1 1 343.387 0.230 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3C(=O)CCC3=O)C2)[nH]1 ZINC001007099708 766018764 /nfs/dbraw/zinc/01/87/64/766018764.db2.gz LJTPTNYVWYJTEC-ZDUSSCGKSA-N 1 1 343.387 0.230 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001016284672 766037932 /nfs/dbraw/zinc/03/79/32/766037932.db2.gz SRKHVXVFMVYQNV-ZFWWWQNUSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001016284672 766037942 /nfs/dbraw/zinc/03/79/42/766037942.db2.gz SRKHVXVFMVYQNV-ZFWWWQNUSA-N 1 1 329.404 0.376 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CCO2 ZINC001053429083 766116949 /nfs/dbraw/zinc/11/69/49/766116949.db2.gz DYNCILLZNJJKHA-HNNXBMFYSA-N 1 1 328.416 0.300 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001053437617 766133725 /nfs/dbraw/zinc/13/37/25/766133725.db2.gz YJLGWZDAGIMWLF-XHSDSOJGSA-N 1 1 336.432 0.527 20 30 ECEDMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)n(C)c1=O ZINC001016353045 766170569 /nfs/dbraw/zinc/17/05/69/766170569.db2.gz FWQNRUJLDFNNFE-HNNXBMFYSA-N 1 1 339.399 0.600 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CCO2 ZINC001053467588 766181967 /nfs/dbraw/zinc/18/19/67/766181967.db2.gz LNPAZGGYAPZBTA-SJORKVTESA-N 1 1 331.460 0.940 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@H](C)C(=O)NC)CC3)nn1 ZINC000992312269 766243242 /nfs/dbraw/zinc/24/32/42/766243242.db2.gz ZWDKXLMOMOLTDT-IFIJOSMWSA-N 1 1 346.435 0.325 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)cc1 ZINC001016429368 766283277 /nfs/dbraw/zinc/28/32/77/766283277.db2.gz GMLJOIANTPPXEH-LSDHHAIUSA-N 1 1 340.383 0.302 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cncn2)nc1 ZINC001017783130 768366253 /nfs/dbraw/zinc/36/62/53/768366253.db2.gz YHBZPISHUQEELV-IYBDPMFKSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cncn2)nc1 ZINC001017783130 768366259 /nfs/dbraw/zinc/36/62/59/768366259.db2.gz YHBZPISHUQEELV-IYBDPMFKSA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)CCO2 ZINC001053530497 766286334 /nfs/dbraw/zinc/28/63/34/766286334.db2.gz AHGASXDYALNLBF-UHFFFAOYSA-N 1 1 332.404 0.607 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cccc(C(N)=O)n1)CCO2 ZINC001053546184 766312683 /nfs/dbraw/zinc/31/26/83/766312683.db2.gz KWXOFDPORXFPLC-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cn(C[C@H]4CCOC4)nn3)CCC[C@@H]12 ZINC000992356971 766371026 /nfs/dbraw/zinc/37/10/26/766371026.db2.gz AQEXNKTWKXYXFA-QGPMSJSTSA-N 1 1 343.431 0.675 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3n[nH]nc3n1)O2 ZINC001053608902 766425218 /nfs/dbraw/zinc/42/52/18/766425218.db2.gz OGAFLBJGJKWTIJ-LBPRGKRZSA-N 1 1 340.387 0.339 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@H]12 ZINC000992375921 766426369 /nfs/dbraw/zinc/42/63/69/766426369.db2.gz FKNIKTHRTDMTQG-SCLBCKFNSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCCF)C2)O1 ZINC001053610213 766427654 /nfs/dbraw/zinc/42/76/54/766427654.db2.gz JPJZIHUBHPXCKY-HOTGVXAUSA-N 1 1 337.439 0.793 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3n1CCOC3)O2 ZINC001053613551 766433742 /nfs/dbraw/zinc/43/37/42/766433742.db2.gz HYPZUYAVBWDJQB-CQSZACIVSA-N 1 1 344.415 0.400 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@@H]12 ZINC000992377891 766434179 /nfs/dbraw/zinc/43/41/79/766434179.db2.gz IXBTXQSNQKOALW-PXAZEXFGSA-N 1 1 332.404 0.063 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001016532128 766450672 /nfs/dbraw/zinc/45/06/72/766450672.db2.gz HWKCKESJITZQQX-UHFFFAOYSA-N 1 1 340.387 0.811 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)O2 ZINC001053620065 766452973 /nfs/dbraw/zinc/45/29/73/766452973.db2.gz FRYYOAMDRKOCIQ-CQSZACIVSA-N 1 1 346.431 0.723 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)nc1 ZINC001045880287 766462616 /nfs/dbraw/zinc/46/26/16/766462616.db2.gz OWDLPSHZRVIVRG-YUELXQCFSA-N 1 1 326.400 0.616 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(N)=O)nc1 ZINC001045880287 766462617 /nfs/dbraw/zinc/46/26/17/766462617.db2.gz OWDLPSHZRVIVRG-YUELXQCFSA-N 1 1 326.400 0.616 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@H]12 ZINC000992396411 766473242 /nfs/dbraw/zinc/47/32/42/766473242.db2.gz LZPZFAFNSJVXLX-GUYCJALGSA-N 1 1 334.420 0.570 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@@H]12 ZINC000992398393 766478954 /nfs/dbraw/zinc/47/89/54/766478954.db2.gz QRFKMQGIIAAKNW-DIFFPNOSSA-N 1 1 346.387 0.647 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnc3n[nH]nc31)O2 ZINC001053631514 766479457 /nfs/dbraw/zinc/47/94/57/766479457.db2.gz ZDAKUGQLBNGXHF-GFCCVEGCSA-N 1 1 340.387 0.339 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CS(C)(=O)=O)C2 ZINC001045920673 766492003 /nfs/dbraw/zinc/49/20/03/766492003.db2.gz WAWVAQOKMKXCKX-MRXNPFEDSA-N 1 1 326.462 0.759 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H]2CCNC2=O)CC3)cn1 ZINC000992405397 766499558 /nfs/dbraw/zinc/49/95/58/766499558.db2.gz GBNOTWJXKIIFTF-GJYPPUQNSA-N 1 1 338.411 0.678 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649516 766510626 /nfs/dbraw/zinc/51/06/26/766510626.db2.gz OBEBNCHXRLNDFV-IRXDYDNUSA-N 1 1 349.475 0.469 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)ccc3=O)CCC[C@@H]12 ZINC000992428966 766549759 /nfs/dbraw/zinc/54/97/59/766549759.db2.gz XEWAYSIKDGAOIJ-QAPCUYQASA-N 1 1 328.416 0.688 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cn(CC(N)=O)nn1)C2 ZINC001045986277 766557239 /nfs/dbraw/zinc/55/72/39/766557239.db2.gz MYBOBYUHEAAARD-KRWDZBQOSA-N 1 1 346.435 0.268 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@]3(CCN(CC#N)C3)C2)C1 ZINC001045985723 766557811 /nfs/dbraw/zinc/55/78/11/766557811.db2.gz ATCLMOFEPCYSFI-SJLPKXTDSA-N 1 1 334.464 0.935 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@]3(CCN(CC#N)C3)C2)C1 ZINC001045985723 766557817 /nfs/dbraw/zinc/55/78/17/766557817.db2.gz ATCLMOFEPCYSFI-SJLPKXTDSA-N 1 1 334.464 0.935 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cn([C@@H]4CCOC4)nn3)CCC[C@@H]12 ZINC000992434489 766558958 /nfs/dbraw/zinc/55/89/58/766558958.db2.gz UDOGLMGYOHSBEO-FRFSOERESA-N 1 1 329.404 0.600 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC3(C[NH+]([C@H](C)COC)C3)O2)nn1 ZINC001053676824 766560344 /nfs/dbraw/zinc/56/03/44/766560344.db2.gz KOUBYRGGTPRFHA-KGLIPLIRSA-N 1 1 349.435 0.462 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001099165053 766561558 /nfs/dbraw/zinc/56/15/58/766561558.db2.gz JPOGTGFEBIZLIY-HUUCEWRRSA-N 1 1 335.448 0.379 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213268771 766563525 /nfs/dbraw/zinc/56/35/25/766563525.db2.gz RUGRHDKWWCAPIP-HUUCEWRRSA-N 1 1 335.452 0.923 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1OC ZINC001213268771 766563531 /nfs/dbraw/zinc/56/35/31/766563531.db2.gz RUGRHDKWWCAPIP-HUUCEWRRSA-N 1 1 335.452 0.923 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCCN1C(N)=O)O2 ZINC001053687544 766591123 /nfs/dbraw/zinc/59/11/23/766591123.db2.gz TYBQZRTXPZYPKE-LSDHHAIUSA-N 1 1 348.447 0.293 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)O2 ZINC001053694334 766603767 /nfs/dbraw/zinc/60/37/67/766603767.db2.gz POCNYMNFYDWRHR-HUUCEWRRSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212258678 766610544 /nfs/dbraw/zinc/61/05/44/766610544.db2.gz XVDDDJWPZCGBQT-NUEKZKHPSA-N 1 1 334.420 0.082 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212258678 766610549 /nfs/dbraw/zinc/61/05/49/766610549.db2.gz XVDDDJWPZCGBQT-NUEKZKHPSA-N 1 1 334.420 0.082 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@H]12 ZINC000992454907 766612682 /nfs/dbraw/zinc/61/26/82/766612682.db2.gz LISINFQIENAQBT-WMLDXEAASA-N 1 1 331.420 0.027 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC001089280121 766626750 /nfs/dbraw/zinc/62/67/50/766626750.db2.gz KNPKEXPRDSZAHN-RYUDHWBXSA-N 1 1 331.420 0.928 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001046012348 766639417 /nfs/dbraw/zinc/63/94/17/766639417.db2.gz OCIIPBZPQVZOSS-NVXWUHKLSA-N 1 1 327.432 0.960 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)CC1 ZINC001046013284 766642606 /nfs/dbraw/zinc/64/26/06/766642606.db2.gz WBUAZDJGVOXSBM-GOEBONIOSA-N 1 1 330.436 0.298 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)CC1 ZINC001046013284 766642609 /nfs/dbraw/zinc/64/26/09/766642609.db2.gz WBUAZDJGVOXSBM-GOEBONIOSA-N 1 1 330.436 0.298 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 ZINC001046019755 766661027 /nfs/dbraw/zinc/66/10/27/766661027.db2.gz IREGLBNQWFQPGD-SJORKVTESA-N 1 1 336.480 0.112 20 30 ECEDMO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046022097 766668560 /nfs/dbraw/zinc/66/85/60/766668560.db2.gz OMPNPOVECVTRDM-HIFRSBDPSA-N 1 1 331.420 0.099 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 ZINC001046022114 766668681 /nfs/dbraw/zinc/66/86/81/766668681.db2.gz LKWHCELTEFULHG-JKSUJKDBSA-N 1 1 332.452 0.634 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046022562 766669600 /nfs/dbraw/zinc/66/96/00/766669600.db2.gz SPWGOLBUQFOBEK-QGZVFWFLSA-N 1 1 325.416 0.742 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(CC)n3)CC2)C1 ZINC001046026469 766683189 /nfs/dbraw/zinc/68/31/89/766683189.db2.gz XLRPXBWQYUWBTI-OAHLLOKOSA-N 1 1 330.436 0.153 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046026882 766684214 /nfs/dbraw/zinc/68/42/14/766684214.db2.gz GRFYUXMMTZRMBA-WBVHZDCISA-N 1 1 346.475 0.095 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001046026780 766684763 /nfs/dbraw/zinc/68/47/63/766684763.db2.gz HTWRYOFTHAQELS-QWHCGFSZSA-N 1 1 342.827 0.066 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001046026780 766684774 /nfs/dbraw/zinc/68/47/74/766684774.db2.gz HTWRYOFTHAQELS-QWHCGFSZSA-N 1 1 342.827 0.066 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 ZINC001046027246 766685659 /nfs/dbraw/zinc/68/56/59/766685659.db2.gz LGXKVPQBYRQKAM-IAGOWNOFSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccn2CC=C)C1 ZINC000994750702 766687394 /nfs/dbraw/zinc/68/73/94/766687394.db2.gz BUTDZCATRHRMGM-INIZCTEOSA-N 1 1 340.427 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccn2CC=C)C1 ZINC000994750702 766687403 /nfs/dbraw/zinc/68/74/03/766687403.db2.gz BUTDZCATRHRMGM-INIZCTEOSA-N 1 1 340.427 0.712 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 ZINC001046027831 766688901 /nfs/dbraw/zinc/68/89/01/766688901.db2.gz SDHVTUIJRHBTDW-IRXDYDNUSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC000994749821 766692205 /nfs/dbraw/zinc/69/22/05/766692205.db2.gz DNAHPOCYFNNLJB-ROUUACIJSA-N 1 1 337.423 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC000994749821 766692207 /nfs/dbraw/zinc/69/22/07/766692207.db2.gz DNAHPOCYFNNLJB-ROUUACIJSA-N 1 1 337.423 0.751 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4cn[nH]c43)CC2)C1 ZINC001046029944 766695527 /nfs/dbraw/zinc/69/55/27/766695527.db2.gz GJMVBSZJLFXDBI-SJORKVTESA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4c[nH]nc43)CC2)C1 ZINC001046029944 766695532 /nfs/dbraw/zinc/69/55/32/766695532.db2.gz GJMVBSZJLFXDBI-SJORKVTESA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4c[nH]nc43)CC2)C1 ZINC001046029944 766695536 /nfs/dbraw/zinc/69/55/36/766695536.db2.gz GJMVBSZJLFXDBI-SJORKVTESA-N 1 1 341.459 0.681 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccncc3C)CC2)C1 ZINC001046030370 766696793 /nfs/dbraw/zinc/69/67/93/766696793.db2.gz PMCPMDXGQNZLTP-GOSISDBHSA-N 1 1 326.444 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncc(Cl)c2)C1 ZINC000994751981 766700132 /nfs/dbraw/zinc/70/01/32/766700132.db2.gz OOPRLFQJLYQJRO-HNNXBMFYSA-N 1 1 346.818 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncc(Cl)c2)C1 ZINC000994751981 766700136 /nfs/dbraw/zinc/70/01/36/766700136.db2.gz OOPRLFQJLYQJRO-HNNXBMFYSA-N 1 1 346.818 0.773 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cncc(C(N)=O)c3)CCC[C@H]12 ZINC000992490461 766702214 /nfs/dbraw/zinc/70/22/14/766702214.db2.gz DJJOQACCWDEXPC-YJBOKZPZSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)noc2C)C1 ZINC000994752333 766702853 /nfs/dbraw/zinc/70/28/53/766702853.db2.gz RMEMZIQJJNWQNF-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)noc2C)C1 ZINC000994752333 766702862 /nfs/dbraw/zinc/70/28/62/766702862.db2.gz RMEMZIQJJNWQNF-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)cc(C)n2)C1 ZINC000994754329 766706663 /nfs/dbraw/zinc/70/66/63/766706663.db2.gz KYEAWFRCNWSRBB-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)cc(C)n2)C1 ZINC000994754329 766706669 /nfs/dbraw/zinc/70/66/69/766706669.db2.gz KYEAWFRCNWSRBB-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3ccnn3C)CC2)C1 ZINC001046033623 766710115 /nfs/dbraw/zinc/71/01/15/766710115.db2.gz JLRRYLCGLKEOSE-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C(C)(C)C)nn3)CC2)C1 ZINC001046035831 766722368 /nfs/dbraw/zinc/72/23/68/766722368.db2.gz UQIYMBRJYGELDB-HNNXBMFYSA-N 1 1 344.463 0.498 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 ZINC001046035874 766723066 /nfs/dbraw/zinc/72/30/66/766723066.db2.gz VAQGXOMSABLBFD-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cc3nc(C4CC4)nn3C)CCC[C@H]12 ZINC000992501372 766725557 /nfs/dbraw/zinc/72/55/57/766725557.db2.gz YDCDUEIWRNTDHY-KSSFIOAISA-N 1 1 327.432 0.981 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cn(C)nc3C)CC2)C1 ZINC001046036400 766726559 /nfs/dbraw/zinc/72/65/59/766726559.db2.gz JAHWUVNIMWFLRX-KRWDZBQOSA-N 1 1 331.464 0.676 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nnc(C)n4C3)CCC[C@@H]12 ZINC000992502937 766731769 /nfs/dbraw/zinc/73/17/69/766731769.db2.gz CNBPBLYGWFUNHZ-HDMKZQKVSA-N 1 1 327.432 0.895 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3CC)CC2)C1 ZINC001046037475 766733704 /nfs/dbraw/zinc/73/37/04/766733704.db2.gz QDPDAPUQIGMUPO-MRXNPFEDSA-N 1 1 343.475 0.838 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3CC)CC2)C1 ZINC001046037790 766736611 /nfs/dbraw/zinc/73/66/11/766736611.db2.gz YZGITWYJESFQCG-HNNXBMFYSA-N 1 1 329.448 0.448 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4nccn4C3)CC2)C1 ZINC001046040222 766744979 /nfs/dbraw/zinc/74/49/79/766744979.db2.gz HFFLBDQPGAOKPW-SJORKVTESA-N 1 1 341.459 0.297 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC001046040518 766748011 /nfs/dbraw/zinc/74/80/11/766748011.db2.gz DEJWDGRHNMOMRP-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnn4c3OCCC4)CC2)C1 ZINC001046041437 766752762 /nfs/dbraw/zinc/75/27/62/766752762.db2.gz JBEGRIVWHPNSKE-HNNXBMFYSA-N 1 1 345.447 0.684 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2C)C1 ZINC001041999312 782577437 /nfs/dbraw/zinc/57/74/37/782577437.db2.gz XXIIDOQPPWMVIW-FVQBIDKESA-N 1 1 343.431 0.615 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2C)C1 ZINC001041999312 782577441 /nfs/dbraw/zinc/57/74/41/782577441.db2.gz XXIIDOQPPWMVIW-FVQBIDKESA-N 1 1 343.431 0.615 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC001046042581 766756731 /nfs/dbraw/zinc/75/67/31/766756731.db2.gz JIEQUVKMHVLFRL-QGZVFWFLSA-N 1 1 348.491 0.794 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3CC)CC2)C1 ZINC001046043190 766760169 /nfs/dbraw/zinc/76/01/69/766760169.db2.gz XYAIFZYHERNUKX-MRXNPFEDSA-N 1 1 343.475 0.838 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC001046043662 766762705 /nfs/dbraw/zinc/76/27/05/766762705.db2.gz COKISBYZJZDFOA-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncc(OC)cn3)CC2)C1 ZINC001046044623 766767094 /nfs/dbraw/zinc/76/70/94/766767094.db2.gz MYIJTXRCMMKUIB-OAHLLOKOSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3nc(C)no3)CC2)C1 ZINC001046049562 766784111 /nfs/dbraw/zinc/78/41/11/766784111.db2.gz RSOOZYPGCSZHMT-MRXNPFEDSA-N 1 1 345.447 0.552 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](C[C@@H](C)O)C3)CC2)cc1 ZINC001046051259 766790046 /nfs/dbraw/zinc/79/00/46/766790046.db2.gz ZXPZXLFDKTZXQA-VQIMIIECSA-N 1 1 341.455 0.881 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)cnn3C)CC2)C1 ZINC001046052781 766794772 /nfs/dbraw/zinc/79/47/72/766794772.db2.gz JPVCGLBTSKYNCX-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)CC2)C1 ZINC001046054773 766802478 /nfs/dbraw/zinc/80/24/78/766802478.db2.gz PSEJXKLKWCMAQV-HUUCEWRRSA-N 1 1 342.447 0.076 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001089645937 766802693 /nfs/dbraw/zinc/80/26/93/766802693.db2.gz DSIYAFBQEQWADY-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)[nH]1 ZINC001053773123 766804436 /nfs/dbraw/zinc/80/44/36/766804436.db2.gz DKFKAQTUFSCCMM-OCCSQVGLSA-N 1 1 330.388 0.496 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046055609 766805761 /nfs/dbraw/zinc/80/57/61/766805761.db2.gz FXTJGRCSVKWWPC-QFBILLFUSA-N 1 1 348.491 0.697 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056860 766810694 /nfs/dbraw/zinc/81/06/94/766810694.db2.gz VKDBJPJTBFTZGO-MSOLQXFVSA-N 1 1 347.507 0.850 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4nonc4c3)CC2)C1 ZINC001046059121 766821423 /nfs/dbraw/zinc/82/14/23/766821423.db2.gz ZLLRHWJSXWRNLA-OAHLLOKOSA-N 1 1 339.399 0.688 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046060142 766824215 /nfs/dbraw/zinc/82/42/15/766824215.db2.gz WEBZCZOLKCZRPL-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046059758 766824232 /nfs/dbraw/zinc/82/42/32/766824232.db2.gz OHOILJNCKOUNDX-DLBZAZTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccc(C)n3)CC2)C1 ZINC001046062316 766832942 /nfs/dbraw/zinc/83/29/42/766832942.db2.gz DKUSGRUVJBZIDF-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)CC2)C1 ZINC001046062535 766836102 /nfs/dbraw/zinc/83/61/02/766836102.db2.gz WBXHNJCOURLATP-CVEARBPZSA-N 1 1 341.459 0.681 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1 ZINC001046066927 766857516 /nfs/dbraw/zinc/85/75/16/766857516.db2.gz KHHOTMJLZZSXCM-FGTMMUONSA-N 1 1 343.475 0.928 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046070055 766871070 /nfs/dbraw/zinc/87/10/70/766871070.db2.gz NXFZLVPHWWMFGG-HOTGVXAUSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn4ccccc34)CC2)C1 ZINC001046070968 766875269 /nfs/dbraw/zinc/87/52/69/766875269.db2.gz DBUIIQPDCZALCT-INIZCTEOSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H]3CC)CC2)C1 ZINC001046075025 766892911 /nfs/dbraw/zinc/89/29/11/766892911.db2.gz NBPJBXOFMLOFJB-IAGOWNOFSA-N 1 1 346.475 0.239 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)C1 ZINC001046077244 766906677 /nfs/dbraw/zinc/90/66/77/766906677.db2.gz SXOBSNIPOGABMA-MRXNPFEDSA-N 1 1 343.475 0.929 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](C[C@H](C)O)C3)CC2)nc1 ZINC001046078472 766910429 /nfs/dbraw/zinc/91/04/29/766910429.db2.gz YGXYLHVKHDQESN-RDJZCZTQSA-N 1 1 342.443 0.276 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046081791 766920192 /nfs/dbraw/zinc/92/01/92/766920192.db2.gz OUENHOJUZIHPHG-DLBZAZTESA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnccn3)C2)C1=O ZINC001046113334 766941383 /nfs/dbraw/zinc/94/13/83/766941383.db2.gz FKKIDRYUXFPZMI-WMLDXEAASA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnccn3)C2)C1=O ZINC001046113334 766941385 /nfs/dbraw/zinc/94/13/85/766941385.db2.gz FKKIDRYUXFPZMI-WMLDXEAASA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3ccncc13)CO2 ZINC001053831075 766965673 /nfs/dbraw/zinc/96/56/73/766965673.db2.gz UNAIISMMCDPOCU-ZDUSSCGKSA-N 1 1 327.388 0.879 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc3ncc(C)cn3n1)CO2 ZINC001053838577 766983031 /nfs/dbraw/zinc/98/30/31/766983031.db2.gz GPMOZYGVTJXDSF-ZDUSSCGKSA-N 1 1 342.403 0.582 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC000994849432 766991090 /nfs/dbraw/zinc/99/10/90/766991090.db2.gz FALBOWSMKJHDDI-CXAGYDPISA-N 1 1 341.411 0.328 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC000994849432 766991092 /nfs/dbraw/zinc/99/10/92/766991092.db2.gz FALBOWSMKJHDDI-CXAGYDPISA-N 1 1 341.411 0.328 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)CCNC(=O)C1)CO2 ZINC001053843310 766996057 /nfs/dbraw/zinc/99/60/57/766996057.db2.gz JOLPKJPZKNOYST-WMLDXEAASA-N 1 1 335.448 0.828 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc(C)c(C)[nH]c1=O)CO2 ZINC001053843045 766996263 /nfs/dbraw/zinc/99/62/63/766996263.db2.gz CXBYJLQWAIFFHC-ZDUSSCGKSA-N 1 1 332.404 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nc(C)no2)C1 ZINC001031742406 766998844 /nfs/dbraw/zinc/99/88/44/766998844.db2.gz DXCZRCHSZRLEEY-DOMZBBRYSA-N 1 1 331.420 0.585 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nc(C)no2)C1 ZINC001031742406 766998849 /nfs/dbraw/zinc/99/88/49/766998849.db2.gz DXCZRCHSZRLEEY-DOMZBBRYSA-N 1 1 331.420 0.585 20 30 ECEDMO CC1(C)CC[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)N(CC#N)C1 ZINC001089674473 766999465 /nfs/dbraw/zinc/99/94/65/766999465.db2.gz ADGHQFNGWTUYBX-IOSXPMGOSA-N 1 1 346.475 0.980 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc(OC)cc(OC)n1)CO2 ZINC001053847086 767005113 /nfs/dbraw/zinc/00/51/13/767005113.db2.gz YJFARGMXPJRIAW-LBPRGKRZSA-N 1 1 348.403 0.643 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)c1 ZINC000994852442 767017996 /nfs/dbraw/zinc/01/79/96/767017996.db2.gz DSOAICJCQMNOKA-GDBMZVCRSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCn3ccnc3C1)CO2 ZINC001053852656 767024409 /nfs/dbraw/zinc/02/44/09/767024409.db2.gz OJGVKYGDVRMTID-CABCVRRESA-N 1 1 330.432 0.981 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)[nH]1 ZINC000994855563 767043776 /nfs/dbraw/zinc/04/37/76/767043776.db2.gz RKVFVVCLGYESRZ-GDBMZVCRSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nccnc3N)C2)C1=O ZINC001046204298 767058039 /nfs/dbraw/zinc/05/80/39/767058039.db2.gz MMQJGFITADLYQD-SJKOYZFVSA-N 1 1 344.419 0.040 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3nccnc3N)C2)C1=O ZINC001046204298 767058047 /nfs/dbraw/zinc/05/80/47/767058047.db2.gz MMQJGFITADLYQD-SJKOYZFVSA-N 1 1 344.419 0.040 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCCC(=O)N1)CO2 ZINC001053865920 767072464 /nfs/dbraw/zinc/07/24/64/767072464.db2.gz NDOLPQWASBZRKD-CABCVRRESA-N 1 1 335.448 0.971 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@]2(C)CCCS2(=O)=O)CC1 ZINC001016874060 767073303 /nfs/dbraw/zinc/07/33/03/767073303.db2.gz SSIORIFGLOHGKZ-ZBFHGGJFSA-N 1 1 338.473 0.948 20 30 ECEDMO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046221573 767088998 /nfs/dbraw/zinc/08/89/98/767088998.db2.gz SESWEQZPFLEZNB-KRWDZBQOSA-N 1 1 329.404 0.703 20 30 ECEDMO N#CCN1CC2(C1)C[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)CO2 ZINC001053873394 767097810 /nfs/dbraw/zinc/09/78/10/767097810.db2.gz XNKUXUSMEDKHNL-CYBMUJFWSA-N 1 1 329.404 0.245 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ncc3cccnc31)CO2 ZINC001053873810 767099259 /nfs/dbraw/zinc/09/92/59/767099259.db2.gz JLESTDRMZBXRLA-HNNXBMFYSA-N 1 1 341.415 0.967 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001077564209 767100719 /nfs/dbraw/zinc/10/07/19/767100719.db2.gz CIGQDCUIHAIXOA-NVXWUHKLSA-N 1 1 326.400 0.529 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001089700452 767100966 /nfs/dbraw/zinc/10/09/66/767100966.db2.gz CHGKTGLYZFTCSY-CABCVRRESA-N 1 1 344.463 0.866 20 30 ECEDMO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001046248010 767106855 /nfs/dbraw/zinc/10/68/55/767106855.db2.gz KZADWSVQMSUPIN-KRWDZBQOSA-N 1 1 329.404 0.703 20 30 ECEDMO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001046248010 767106857 /nfs/dbraw/zinc/10/68/57/767106857.db2.gz KZADWSVQMSUPIN-KRWDZBQOSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ocnc2C)C1 ZINC000938756524 767107073 /nfs/dbraw/zinc/10/70/73/767107073.db2.gz QRTZRFNKBCQWPS-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ocnc2C)C1 ZINC000938756524 767107074 /nfs/dbraw/zinc/10/70/74/767107074.db2.gz QRTZRFNKBCQWPS-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C2CCOCC2)C1 ZINC000938756467 767107112 /nfs/dbraw/zinc/10/71/12/767107112.db2.gz PPRIWNRBFIBGBH-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C2CCOCC2)C1 ZINC000938756467 767107114 /nfs/dbraw/zinc/10/71/14/767107114.db2.gz PPRIWNRBFIBGBH-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046248182 767107753 /nfs/dbraw/zinc/10/77/53/767107753.db2.gz MICFZSIUWJWOLN-PKOBYXMFSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC000938756704 767108246 /nfs/dbraw/zinc/10/82/46/767108246.db2.gz VSNMZGLDTJGWHH-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC000938756704 767108247 /nfs/dbraw/zinc/10/82/47/767108247.db2.gz VSNMZGLDTJGWHH-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(C)[nH]n2)C1 ZINC000938756704 767108248 /nfs/dbraw/zinc/10/82/48/767108248.db2.gz VSNMZGLDTJGWHH-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(C)[nH]n2)C1 ZINC000938756704 767108249 /nfs/dbraw/zinc/10/82/49/767108249.db2.gz VSNMZGLDTJGWHH-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046249179 767108637 /nfs/dbraw/zinc/10/86/37/767108637.db2.gz WBQXQBSLPAVEQO-QGZVFWFLSA-N 1 1 329.404 0.703 20 30 ECEDMO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001046252869 767110777 /nfs/dbraw/zinc/11/07/77/767110777.db2.gz LIJXKWPSRUAODP-PBHICJAKSA-N 1 1 339.403 0.860 20 30 ECEDMO C=CCCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875569 767111797 /nfs/dbraw/zinc/11/17/97/767111797.db2.gz GECKDKIOQHFSEE-NDUQDZPOSA-N 1 1 347.459 0.385 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001042017121 782605136 /nfs/dbraw/zinc/60/51/36/782605136.db2.gz AZJXIBQBZYDNLO-IUODEOHRSA-N 1 1 329.404 0.511 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000938826288 767124691 /nfs/dbraw/zinc/12/46/91/767124691.db2.gz FCYGOYHQCAXEGV-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046288281 767129025 /nfs/dbraw/zinc/12/90/25/767129025.db2.gz NBARANRNBMQADB-WMLDXEAASA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046288281 767129027 /nfs/dbraw/zinc/12/90/27/767129027.db2.gz NBARANRNBMQADB-WMLDXEAASA-N 1 1 346.362 0.886 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001089731457 767134238 /nfs/dbraw/zinc/13/42/38/767134238.db2.gz QOCYBXOCEYFQLD-ZDUSSCGKSA-N 1 1 346.431 0.730 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001046311376 767140794 /nfs/dbraw/zinc/14/07/94/767140794.db2.gz AJWRLCDPBQDUPN-OAHLLOKOSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001046312386 767141435 /nfs/dbraw/zinc/14/14/35/767141435.db2.gz XFGKWYOTRNIERU-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001046313872 767141905 /nfs/dbraw/zinc/14/19/05/767141905.db2.gz XMXAZMFVAWAYEB-RDTXWAMCSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001046313872 767141907 /nfs/dbraw/zinc/14/19/07/767141907.db2.gz XMXAZMFVAWAYEB-RDTXWAMCSA-N 1 1 345.447 0.710 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001046329608 767152089 /nfs/dbraw/zinc/15/20/89/767152089.db2.gz UNNSEBWKPWQONX-BJJXKVORSA-N 1 1 329.404 0.012 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001046329608 767152090 /nfs/dbraw/zinc/15/20/90/767152090.db2.gz UNNSEBWKPWQONX-BJJXKVORSA-N 1 1 329.404 0.012 20 30 ECEDMO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001089775982 767156202 /nfs/dbraw/zinc/15/62/02/767156202.db2.gz YSUFMSMPUCQSDL-UMVBOHGHSA-N 1 1 346.435 0.398 20 30 ECEDMO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001089775982 767156204 /nfs/dbraw/zinc/15/62/04/767156204.db2.gz YSUFMSMPUCQSDL-UMVBOHGHSA-N 1 1 346.435 0.398 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CS(C)(=O)=O)C1 ZINC001089782138 767168517 /nfs/dbraw/zinc/16/85/17/767168517.db2.gz VPPVNARDPUZIPE-AJNGGQMLSA-N 1 1 326.462 0.776 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nccnc1N ZINC001089789445 767184569 /nfs/dbraw/zinc/18/45/69/767184569.db2.gz XCLCKAICNSRFST-XQLPTFJDSA-N 1 1 325.416 0.865 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)c(C)n2)CC[N@H+]1C ZINC001106142588 767197654 /nfs/dbraw/zinc/19/76/54/767197654.db2.gz SXHJRGXPWUWQRA-HRCADAONSA-N 1 1 345.447 0.881 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1ccnn1 ZINC001089798110 767222580 /nfs/dbraw/zinc/22/25/80/767222580.db2.gz RIWYTWIOFSGMRN-HZMVEIRTSA-N 1 1 327.432 0.860 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3n[nH]c4c3CCC4)C2)C1=O ZINC001031808073 767253394 /nfs/dbraw/zinc/25/33/94/767253394.db2.gz PFITXOKGJPEVPG-OAHLLOKOSA-N 1 1 343.431 0.347 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(OC)ncn1 ZINC001089816437 767287395 /nfs/dbraw/zinc/28/73/95/767287395.db2.gz OIJLQJAABIBVCK-FQLMCAECSA-N 1 1 326.400 0.901 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046539423 767290508 /nfs/dbraw/zinc/29/05/08/767290508.db2.gz PSNDLUWMCBXBPQ-VQIMIIECSA-N 1 1 343.402 0.894 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046539423 767290509 /nfs/dbraw/zinc/29/05/09/767290509.db2.gz PSNDLUWMCBXBPQ-VQIMIIECSA-N 1 1 343.402 0.894 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001046540943 767292063 /nfs/dbraw/zinc/29/20/63/767292063.db2.gz BFQMSHABRZFWMP-BBRMVZONSA-N 1 1 347.444 0.724 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001046540943 767292064 /nfs/dbraw/zinc/29/20/64/767292064.db2.gz BFQMSHABRZFWMP-BBRMVZONSA-N 1 1 347.444 0.724 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc(N(C)C)cn1 ZINC001089818775 767299455 /nfs/dbraw/zinc/29/94/55/767299455.db2.gz YLUZJJLOJXEPTH-MPTYRVRUSA-N 1 1 339.443 0.958 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053904554 767312964 /nfs/dbraw/zinc/31/29/64/767312964.db2.gz PPRFAUADBOUCHM-HZPDHXFCSA-N 1 1 335.448 0.078 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053904554 767312972 /nfs/dbraw/zinc/31/29/72/767312972.db2.gz PPRFAUADBOUCHM-HZPDHXFCSA-N 1 1 335.448 0.078 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001046573155 767315934 /nfs/dbraw/zinc/31/59/34/767315934.db2.gz HDFMPDYDLQLYDN-KDOFPFPSSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001046573155 767315937 /nfs/dbraw/zinc/31/59/37/767315937.db2.gz HDFMPDYDLQLYDN-KDOFPFPSSA-N 1 1 345.447 0.710 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccoc1CC(N)=O)CO2 ZINC001053905495 767317842 /nfs/dbraw/zinc/31/78/42/767317842.db2.gz ILUFFJIVAWSMBX-CYBMUJFWSA-N 1 1 347.415 0.847 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nnn(C)c3C1)CO2 ZINC001053908487 767329574 /nfs/dbraw/zinc/32/95/74/767329574.db2.gz UTARDSTTXNJKBF-KBPBESRZSA-N 1 1 345.447 0.456 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046585660 767335394 /nfs/dbraw/zinc/33/53/94/767335394.db2.gz HZHBECZHEMLUSK-WFASDCNBSA-N 1 1 333.417 0.382 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046585660 767335400 /nfs/dbraw/zinc/33/54/00/767335400.db2.gz HZHBECZHEMLUSK-WFASDCNBSA-N 1 1 333.417 0.382 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001089827905 767362484 /nfs/dbraw/zinc/36/24/84/767362484.db2.gz PVFIWEYDIOXQMO-VGWMRTNUSA-N 1 1 338.473 0.776 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1nnc3c1CCCC3)CO2 ZINC001053924222 767371946 /nfs/dbraw/zinc/37/19/46/767371946.db2.gz NVDMFLCTZQQAHP-CQSZACIVSA-N 1 1 345.447 0.693 20 30 ECEDMO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)CO2 ZINC001053925987 767379633 /nfs/dbraw/zinc/37/96/33/767379633.db2.gz TWLVMXASJDXQHX-KDOFPFPSSA-N 1 1 337.439 0.792 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001106158243 767424851 /nfs/dbraw/zinc/42/48/51/767424851.db2.gz QVXZBQALLKCNFR-KBPBESRZSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046663891 767436296 /nfs/dbraw/zinc/43/62/96/767436296.db2.gz DAQRHFDKUHCOSO-OAHLLOKOSA-N 1 1 335.448 0.354 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 ZINC001127649231 767436796 /nfs/dbraw/zinc/43/67/96/767436796.db2.gz JWCOSXITPUXYAP-UHFFFAOYSA-N 1 1 337.387 0.806 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001046670544 767448935 /nfs/dbraw/zinc/44/89/35/767448935.db2.gz ORWSOKQAEYZAJA-OAHLLOKOSA-N 1 1 340.811 0.031 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001046670544 767448941 /nfs/dbraw/zinc/44/89/41/767448941.db2.gz ORWSOKQAEYZAJA-OAHLLOKOSA-N 1 1 340.811 0.031 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001106170677 767481632 /nfs/dbraw/zinc/48/16/32/767481632.db2.gz VMXUASRQXYXYAP-GJZGRUSLSA-N 1 1 346.435 0.358 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CCC1 ZINC001046691743 767490757 /nfs/dbraw/zinc/49/07/57/767490757.db2.gz LJNCNZXVMSNFFC-HUUCEWRRSA-N 1 1 347.459 0.067 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CCC1 ZINC001046691497 767491199 /nfs/dbraw/zinc/49/11/99/767491199.db2.gz JEIPZKGDGVGZNJ-GJZGRUSLSA-N 1 1 349.475 0.620 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CC[C@H](C)C1)CO2 ZINC001053976967 767510546 /nfs/dbraw/zinc/51/05/46/767510546.db2.gz KZFQWVNPYSXMNQ-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001046703382 767516428 /nfs/dbraw/zinc/51/64/28/767516428.db2.gz RJIXKSSOKFZBLU-QGZVFWFLSA-N 1 1 327.388 0.549 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3n[nH]nc3C1)CO2 ZINC001053982445 767526714 /nfs/dbraw/zinc/52/67/14/767526714.db2.gz JPEFIOMQVNMIHH-STQMWFEESA-N 1 1 331.420 0.445 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccn(C)c1=O)CO2 ZINC001053985596 767535788 /nfs/dbraw/zinc/53/57/88/767535788.db2.gz UNLTUMOLVSTQHT-AWEZNQCLSA-N 1 1 331.416 0.925 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccnc1C(N)=O)CO2 ZINC001054014070 767600005 /nfs/dbraw/zinc/60/00/05/767600005.db2.gz HQCIISHYAMWSIY-GFCCVEGCSA-N 1 1 330.388 0.330 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)CO2 ZINC001054014965 767602187 /nfs/dbraw/zinc/60/21/87/767602187.db2.gz WKQDCQXRKSQZOH-KGLIPLIRSA-N 1 1 343.855 0.419 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)CO2 ZINC001054014965 767602191 /nfs/dbraw/zinc/60/21/91/767602191.db2.gz WKQDCQXRKSQZOH-KGLIPLIRSA-N 1 1 343.855 0.419 20 30 ECEDMO Cn1[nH]c(C[N@@H+](C)C[C@H]2CCCN(C(=O)C#CC3CC3)C2)nc1=O ZINC001017124926 767627026 /nfs/dbraw/zinc/62/70/26/767627026.db2.gz XZKGBCBZTKKGDA-CQSZACIVSA-N 1 1 331.420 0.192 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)C#CC2CC2)C1)[C@@H]1CCC(=O)NC1=O ZINC001017127327 767629252 /nfs/dbraw/zinc/62/92/52/767629252.db2.gz NGJUFRQHDYYCPO-HUUCEWRRSA-N 1 1 331.416 0.375 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001054036080 767634967 /nfs/dbraw/zinc/63/49/67/767634967.db2.gz BETALKLDJSOWLZ-RBUKOAKNSA-N 1 1 341.455 0.883 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001054039593 767638467 /nfs/dbraw/zinc/63/84/67/767638467.db2.gz DATGRVSBFMBUTL-HZPDHXFCSA-N 1 1 327.384 0.661 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC#N)O1 ZINC001054043932 767643176 /nfs/dbraw/zinc/64/31/76/767643176.db2.gz OBNIEHQUPUGXGW-ZTFGCOKTSA-N 1 1 342.443 0.772 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC#N)O1 ZINC001054043932 767643179 /nfs/dbraw/zinc/64/31/79/767643179.db2.gz OBNIEHQUPUGXGW-ZTFGCOKTSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(F)cncc2F)C1 ZINC000992828251 767648657 /nfs/dbraw/zinc/64/86/57/767648657.db2.gz FWAZMVDLDASTRL-AWEZNQCLSA-N 1 1 348.353 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(F)cncc2F)C1 ZINC000992828251 767648662 /nfs/dbraw/zinc/64/86/62/767648662.db2.gz FWAZMVDLDASTRL-AWEZNQCLSA-N 1 1 348.353 0.398 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001054061424 767659519 /nfs/dbraw/zinc/65/95/19/767659519.db2.gz ZPLIGYXOIPXYRZ-HOTGVXAUSA-N 1 1 349.456 0.407 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001054061424 767659526 /nfs/dbraw/zinc/65/95/26/767659526.db2.gz ZPLIGYXOIPXYRZ-HOTGVXAUSA-N 1 1 349.456 0.407 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001060476517 767689750 /nfs/dbraw/zinc/68/97/50/767689750.db2.gz XFQHBBSTWKWUPX-HSMHQDCBSA-N 1 1 326.404 0.097 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)c[nH]1 ZINC001054118533 767706404 /nfs/dbraw/zinc/70/64/04/767706404.db2.gz KJGRUQMTIZSELX-MAUKXSAKSA-N 1 1 341.415 0.703 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)N1C(=O)CCC1=O)C2 ZINC001054142024 767736513 /nfs/dbraw/zinc/73/65/13/767736513.db2.gz UTWFHFKSABWOGB-BEFAXECRSA-N 1 1 345.443 0.862 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)C2 ZINC001054142173 767737787 /nfs/dbraw/zinc/73/77/87/767737787.db2.gz XZQAEVBAOUGQBB-APWZRJJASA-N 1 1 349.475 0.982 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001054160302 767757147 /nfs/dbraw/zinc/75/71/47/767757147.db2.gz BGTPNJFFFHBPKJ-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001054160302 767757151 /nfs/dbraw/zinc/75/71/51/767757151.db2.gz BGTPNJFFFHBPKJ-DOTOQJQBSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001054167168 767765338 /nfs/dbraw/zinc/76/53/38/767765338.db2.gz RMFSRQBJMKCALM-GOSISDBHSA-N 1 1 347.463 0.863 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C(N)=O)C3)c(F)c1 ZINC001054188925 767789342 /nfs/dbraw/zinc/78/93/42/767789342.db2.gz WVHCYFBSDNEARH-SFHVURJKSA-N 1 1 344.390 0.997 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001054195838 767794034 /nfs/dbraw/zinc/79/40/34/767794034.db2.gz DKCBPCUMDQHENZ-DAYGRLMNSA-N 1 1 335.448 0.910 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)[C@@H](O)C1 ZINC001083717554 767812542 /nfs/dbraw/zinc/81/25/42/767812542.db2.gz CBJVHPRECPEDMO-ZNMIVQPWSA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)[C@@H](O)C1 ZINC001083717554 767812549 /nfs/dbraw/zinc/81/25/49/767812549.db2.gz CBJVHPRECPEDMO-ZNMIVQPWSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(=O)n(CC)n1)C2 ZINC001054215598 767816012 /nfs/dbraw/zinc/81/60/12/767816012.db2.gz ZSPYOMHDQDYZPJ-SFHVURJKSA-N 1 1 328.416 0.825 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)C1 ZINC000992943288 767819167 /nfs/dbraw/zinc/81/91/67/767819167.db2.gz PJHWORDQHKIWQO-MDZRGWNJSA-N 1 1 329.444 0.658 20 30 ECEDMO C=CCCn1cc(C(=O)NC2C[NH+](C[C@H]3C[C@@]34CCOC4)C2)nn1 ZINC001031079723 767834206 /nfs/dbraw/zinc/83/42/06/767834206.db2.gz IIWGOIWJJIISMO-CXAGYDPISA-N 1 1 331.420 0.695 20 30 ECEDMO C=CCCn1cc(C(=O)NC2C[NH+](C[C@H]3C[C@]34CCOC4)C2)nn1 ZINC001031079724 767834309 /nfs/dbraw/zinc/83/43/09/767834309.db2.gz IIWGOIWJJIISMO-DYVFJYSZSA-N 1 1 331.420 0.695 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127347461 768382695 /nfs/dbraw/zinc/38/26/95/768382695.db2.gz OIPMVHQUNQZQAD-UHFFFAOYSA-N 1 1 334.424 0.577 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 ZINC001054903478 768404851 /nfs/dbraw/zinc/40/48/51/768404851.db2.gz OBPIFAKNBUAYRB-QPSCCSFWSA-N 1 1 326.404 0.668 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001042044653 782664654 /nfs/dbraw/zinc/66/46/54/782664654.db2.gz RMYOIZKNNQYCHO-JKSUJKDBSA-N 1 1 343.427 0.472 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993206089 768478989 /nfs/dbraw/zinc/47/89/89/768478989.db2.gz STWIHFCLHYMECO-XHDPSFHLSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993206089 768478994 /nfs/dbraw/zinc/47/89/94/768478994.db2.gz STWIHFCLHYMECO-XHDPSFHLSA-N 1 1 329.404 0.748 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)C1 ZINC001055034410 768539606 /nfs/dbraw/zinc/53/96/06/768539606.db2.gz PUQHZGJGYJCXQX-RZFFKMDDSA-N 1 1 326.404 0.526 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(n2cnnn2)CCOCC1 ZINC001018048186 768658081 /nfs/dbraw/zinc/65/80/81/768658081.db2.gz FHUZDZURMDHPAK-GASCZTMLSA-N 1 1 346.435 0.430 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(n2cnnn2)CCOCC1 ZINC001018048186 768658085 /nfs/dbraw/zinc/65/80/85/768658085.db2.gz FHUZDZURMDHPAK-GASCZTMLSA-N 1 1 346.435 0.430 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001055251813 768711105 /nfs/dbraw/zinc/71/11/05/768711105.db2.gz KOPRHARBMBMCNX-KRXQYRFLSA-N 1 1 335.448 0.325 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268891 768725314 /nfs/dbraw/zinc/72/53/14/768725314.db2.gz VUVGOCGAGGIULP-XHSDSOJGSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268891 768725317 /nfs/dbraw/zinc/72/53/17/768725317.db2.gz VUVGOCGAGGIULP-XHSDSOJGSA-N 1 1 349.475 0.836 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 ZINC001055295110 768749227 /nfs/dbraw/zinc/74/92/27/768749227.db2.gz VDMFUOQYWWJUCC-YIYPIFLZSA-N 1 1 326.404 0.668 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 ZINC001055294823 768749332 /nfs/dbraw/zinc/74/93/32/768749332.db2.gz OBPIFAKNBUAYRB-KBXIAJHMSA-N 1 1 326.404 0.668 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)C#CC(C)C)C[C@H]2C1 ZINC001055332437 768789201 /nfs/dbraw/zinc/78/92/01/768789201.db2.gz ULZCXYQRIYKNMA-IYBDPMFKSA-N 1 1 328.416 0.768 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)C1 ZINC001055341906 768799801 /nfs/dbraw/zinc/79/98/01/768799801.db2.gz PUQHZGJGYJCXQX-MYPMTAMASA-N 1 1 326.404 0.526 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H]1C ZINC000993356422 768857741 /nfs/dbraw/zinc/85/77/41/768857741.db2.gz WVOWRGQMRJMTFE-KBPBESRZSA-N 1 1 333.432 0.764 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001018214190 768899132 /nfs/dbraw/zinc/89/91/32/768899132.db2.gz NOMAWXCJZNFKTM-LZWOXQAQSA-N 1 1 341.477 0.710 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001018246376 768956953 /nfs/dbraw/zinc/95/69/53/768956953.db2.gz NPTIEXBIZDPSPB-MJBXVCDLSA-N 1 1 334.420 0.616 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001098794395 768962959 /nfs/dbraw/zinc/96/29/59/768962959.db2.gz NJKZSDODFBIMRS-PEBVRCNWSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2ccoc2)CC1 ZINC001055517674 768990496 /nfs/dbraw/zinc/99/04/96/768990496.db2.gz KECSDUPHGHDBSJ-CQSZACIVSA-N 1 1 347.415 0.628 20 30 ECEDMO CC(C)(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]c2)CC1 ZINC001055530028 769016964 /nfs/dbraw/zinc/01/69/64/769016964.db2.gz BOYXZUZHPQSYLQ-UHFFFAOYSA-N 1 1 345.447 0.770 20 30 ECEDMO CC1(C)C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001089354537 769047533 /nfs/dbraw/zinc/04/75/33/769047533.db2.gz ISHOSQVZHAHUHI-HIFRSBDPSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001042075214 782716405 /nfs/dbraw/zinc/71/64/05/782716405.db2.gz AWFZTZOFHCKYON-HUUCEWRRSA-N 1 1 344.463 0.917 20 30 ECEDMO Cc1ncoc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC001055554868 769103544 /nfs/dbraw/zinc/10/35/44/769103544.db2.gz PSYDWXDZJVDDKH-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO CCc1nc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)co1 ZINC001055564208 769125546 /nfs/dbraw/zinc/12/55/46/769125546.db2.gz ZPILOFXHVPXWAQ-LBPRGKRZSA-N 1 1 347.419 0.707 20 30 ECEDMO Cc1nc(C(=O)NC2CC[NH+](CCNC(=O)C#CC3CC3)CC2)co1 ZINC001055573683 769155217 /nfs/dbraw/zinc/15/52/17/769155217.db2.gz HNMYZVDVIHFNEI-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C#CC3CC3)C2)CC1 ZINC001018363050 769200902 /nfs/dbraw/zinc/20/09/02/769200902.db2.gz KOQQXAHLDSRLSS-RDJZCZTQSA-N 1 1 347.459 0.163 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cccnn2)CC1 ZINC001055623679 769285038 /nfs/dbraw/zinc/28/50/38/769285038.db2.gz NITTVOVECDKRSM-UHFFFAOYSA-N 1 1 343.431 0.446 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001055625877 769290812 /nfs/dbraw/zinc/29/08/12/769290812.db2.gz LJXFNNAIZTZATC-CQSZACIVSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2ccns2)CC1 ZINC001055631517 769303118 /nfs/dbraw/zinc/30/31/18/769303118.db2.gz HGGXYTVJSYGRGS-LLVKDONJSA-N 1 1 335.433 0.613 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2cn(CC)nn2)CC1 ZINC001055631528 769303726 /nfs/dbraw/zinc/30/37/26/769303726.db2.gz HLDMLWSENQKLJG-UHFFFAOYSA-N 1 1 348.451 0.575 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CCC(Nc3ccnc(C#N)n3)CC2)C1 ZINC001060598894 769320997 /nfs/dbraw/zinc/32/09/97/769320997.db2.gz IVTWYXSZCUFKNQ-WLYUNCDWSA-N 1 1 342.447 0.951 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H]1C ZINC000993589887 769379810 /nfs/dbraw/zinc/37/98/10/769379810.db2.gz LVINHYYNPRSQJO-GJZGRUSLSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(C)=O)c1nccn12 ZINC000993645272 769413777 /nfs/dbraw/zinc/41/37/77/769413777.db2.gz YDYZCGSCNQEUIQ-CABCVRRESA-N 1 1 341.415 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(C)=O)c1nccn12 ZINC000993645272 769413786 /nfs/dbraw/zinc/41/37/86/769413786.db2.gz YDYZCGSCNQEUIQ-CABCVRRESA-N 1 1 341.415 0.099 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C ZINC000993673170 769462441 /nfs/dbraw/zinc/46/24/41/769462441.db2.gz OQGWUVAZYFALBE-AAEUAGOBSA-N 1 1 344.423 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)C=C(C)C)C1 ZINC001055739191 769560203 /nfs/dbraw/zinc/56/02/03/769560203.db2.gz NPYOLTMXQNXZNY-QFBILLFUSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)C=C(C)C)C1 ZINC001055739191 769560209 /nfs/dbraw/zinc/56/02/09/769560209.db2.gz NPYOLTMXQNXZNY-QFBILLFUSA-N 1 1 347.459 0.520 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001078358334 782768255 /nfs/dbraw/zinc/76/82/55/782768255.db2.gz NWYGQLVIAVJXBS-CJNGLKHVSA-N 1 1 346.435 0.555 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001078359921 782771676 /nfs/dbraw/zinc/77/16/76/782771676.db2.gz HSQXLERIDUGKIZ-OCCSQVGLSA-N 1 1 346.435 0.559 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000993833804 769718671 /nfs/dbraw/zinc/71/86/71/769718671.db2.gz KLKBOPWWTQNNKS-XPKDYRNWSA-N 1 1 343.431 0.805 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1C ZINC000993921842 769886124 /nfs/dbraw/zinc/88/61/24/769886124.db2.gz YQULJLGWIVZDFZ-KGLIPLIRSA-N 1 1 344.419 0.436 20 30 ECEDMO Cn1nncc1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001018791006 769945155 /nfs/dbraw/zinc/94/51/55/769945155.db2.gz PCZKXSQVZLFCQN-AWEZNQCLSA-N 1 1 328.351 0.830 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001042113106 782794455 /nfs/dbraw/zinc/79/44/55/782794455.db2.gz AYDJQEBIEYUGSQ-LBTNJELSSA-N 1 1 340.431 0.775 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001055854582 769983713 /nfs/dbraw/zinc/98/37/13/769983713.db2.gz GSHQYLGNLDKAAI-AWEZNQCLSA-N 1 1 342.447 0.901 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H]1C ZINC000994003336 769992862 /nfs/dbraw/zinc/99/28/62/769992862.db2.gz GKBCMLJBRITEJB-GXTWGEPZSA-N 1 1 327.388 0.547 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@H]21 ZINC001042115684 782796403 /nfs/dbraw/zinc/79/64/03/782796403.db2.gz YWIGKMYWFLCPMH-UKRRQHHQSA-N 1 1 338.473 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@H]21 ZINC001042115684 782796408 /nfs/dbraw/zinc/79/64/08/782796408.db2.gz YWIGKMYWFLCPMH-UKRRQHHQSA-N 1 1 338.473 0.920 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]([NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC001018826627 770017356 /nfs/dbraw/zinc/01/73/56/770017356.db2.gz IVJWPEWXSLZXND-NSHDSACASA-N 1 1 342.325 0.339 20 30 ECEDMO NC(=O)[C@@H]([NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1)c1ccc(F)cc1 ZINC001018827578 770018958 /nfs/dbraw/zinc/01/89/58/770018958.db2.gz VRPJXMQNLAPLCE-RDJZCZTQSA-N 1 1 329.375 0.956 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](C)OC)C2)C1 ZINC001018844502 770073521 /nfs/dbraw/zinc/07/35/21/770073521.db2.gz FAPVSDNLMHRHOL-CABCVRRESA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](C)OC)C2)C1 ZINC001018844502 770073530 /nfs/dbraw/zinc/07/35/30/770073530.db2.gz FAPVSDNLMHRHOL-CABCVRRESA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055895605 770125913 /nfs/dbraw/zinc/12/59/13/770125913.db2.gz XGQVYXXTBAJMCQ-VQIMIIECSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)CCOC)CC1 ZINC001060639080 770162300 /nfs/dbraw/zinc/16/23/00/770162300.db2.gz ROSORKJNCIPKPD-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)CCOC)CC1 ZINC001060639080 770162309 /nfs/dbraw/zinc/16/23/09/770162309.db2.gz ROSORKJNCIPKPD-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001055910431 770179469 /nfs/dbraw/zinc/17/94/69/770179469.db2.gz OHGLTIIMHPQLCW-QFBILLFUSA-N 1 1 349.475 0.601 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001055932950 770269943 /nfs/dbraw/zinc/26/99/43/770269943.db2.gz IFGFGAMSJLSIAF-CRAIPNDOSA-N 1 1 335.448 0.067 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@](CO)(NC(=O)C#CC(C)C)C1 ZINC001055935292 770280971 /nfs/dbraw/zinc/28/09/71/770280971.db2.gz QKDGWCXBLUVERN-SFHVURJKSA-N 1 1 346.431 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C ZINC000994192947 770281744 /nfs/dbraw/zinc/28/17/44/770281744.db2.gz IAJZMDZZNQPAGH-NCOADZHNSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C ZINC000994192947 770281755 /nfs/dbraw/zinc/28/17/55/770281755.db2.gz IAJZMDZZNQPAGH-NCOADZHNSA-N 1 1 347.459 0.474 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C ZINC000994211650 770314207 /nfs/dbraw/zinc/31/42/07/770314207.db2.gz ODNXQFSOFILBBT-RYUDHWBXSA-N 1 1 328.376 0.024 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001055952319 770339966 /nfs/dbraw/zinc/33/99/66/770339966.db2.gz GDTDJIGTUVYAQX-GOSISDBHSA-N 1 1 346.431 0.465 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001055953949 770349770 /nfs/dbraw/zinc/34/97/70/770349770.db2.gz LWDXJDNWYJMMKN-BEFAXECRSA-N 1 1 349.475 0.457 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)[C@H]2C)nc1 ZINC000994234614 770364481 /nfs/dbraw/zinc/36/44/81/770364481.db2.gz CROBHKWMFMOROB-GOEBONIOSA-N 1 1 338.415 0.937 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(C(=O)C#CC3CC3)C2)CC[N@H+]1C ZINC001055967743 770394173 /nfs/dbraw/zinc/39/41/73/770394173.db2.gz VDPFFNKDYLEGIK-IDHHARJASA-N 1 1 347.459 0.210 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)[C@@H]2C)cn1 ZINC000994245777 770407606 /nfs/dbraw/zinc/40/76/06/770407606.db2.gz XYYVOWAFWLGGBL-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)cn1 ZINC000994245777 770407612 /nfs/dbraw/zinc/40/76/12/770407612.db2.gz XYYVOWAFWLGGBL-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nn(CC)nc3C)C2)nn1 ZINC001098797581 770425488 /nfs/dbraw/zinc/42/54/88/770425488.db2.gz RDGQIVORKMYOPB-AWEZNQCLSA-N 1 1 344.423 0.561 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)[C@H]2C)nc1 ZINC000994252485 770440545 /nfs/dbraw/zinc/44/05/45/770440545.db2.gz LXSGVGPGHVMVAP-HOCLYGCPSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)[C@H]2C)nc1 ZINC000994252485 770440550 /nfs/dbraw/zinc/44/05/50/770440550.db2.gz LXSGVGPGHVMVAP-HOCLYGCPSA-N 1 1 340.427 0.878 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccncc3C#N)CC2)C1 ZINC001055991554 770478746 /nfs/dbraw/zinc/47/87/46/770478746.db2.gz MONPZVJPQYUCRQ-QGZVFWFLSA-N 1 1 343.431 0.711 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccncc3C#N)CC2)C1 ZINC001055991554 770478755 /nfs/dbraw/zinc/47/87/55/770478755.db2.gz MONPZVJPQYUCRQ-QGZVFWFLSA-N 1 1 343.431 0.711 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001055991621 770479270 /nfs/dbraw/zinc/47/92/70/770479270.db2.gz NEECGNFEDALVJJ-AWEZNQCLSA-N 1 1 344.419 0.106 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001055991621 770479275 /nfs/dbraw/zinc/47/92/75/770479275.db2.gz NEECGNFEDALVJJ-AWEZNQCLSA-N 1 1 344.419 0.106 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)CC[N@H+]1C ZINC001019012875 770568787 /nfs/dbraw/zinc/56/87/87/770568787.db2.gz SSJJTJTXZRMKDJ-GDBMZVCRSA-N 1 1 329.444 0.801 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001056019741 770572997 /nfs/dbraw/zinc/57/29/97/770572997.db2.gz OUXOOFGYPSPMMD-VQIMIIECSA-N 1 1 349.475 0.457 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056019740 770573151 /nfs/dbraw/zinc/57/31/51/770573151.db2.gz OUXOOFGYPSPMMD-QFBILLFUSA-N 1 1 349.475 0.457 20 30 ECEDMO N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001019062432 770699517 /nfs/dbraw/zinc/69/95/17/770699517.db2.gz VPBIQCNMLYBNQT-INIZCTEOSA-N 1 1 347.440 0.683 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001056067699 770733776 /nfs/dbraw/zinc/73/37/76/770733776.db2.gz IMAAXCILDZHSNA-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO Cc1nc(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)ccc1C#N ZINC001056071691 770748599 /nfs/dbraw/zinc/74/85/99/770748599.db2.gz AFGFFYMQFWBBRE-CZUORRHYSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1nc(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)ccc1C#N ZINC001056071691 770748605 /nfs/dbraw/zinc/74/86/05/770748605.db2.gz AFGFFYMQFWBBRE-CZUORRHYSA-N 1 1 343.431 0.629 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001056124238 770881435 /nfs/dbraw/zinc/88/14/35/770881435.db2.gz KWZUOIZPBCANOB-QFBILLFUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001060694154 770984232 /nfs/dbraw/zinc/98/42/32/770984232.db2.gz ZEMMHHHQJKQJHB-BRWVUGGUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#Cc1cccc(NC(=O)CN2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001031385465 770998170 /nfs/dbraw/zinc/99/81/70/770998170.db2.gz FMNZMNVVPQGOFN-OAHLLOKOSA-N 1 1 340.427 0.359 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001056233218 771025797 /nfs/dbraw/zinc/02/57/97/771025797.db2.gz RHYMOTNXYOYSEI-WTTBNOFXSA-N 1 1 341.415 0.225 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001056233218 771025801 /nfs/dbraw/zinc/02/58/01/771025801.db2.gz RHYMOTNXYOYSEI-WTTBNOFXSA-N 1 1 341.415 0.225 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC001019238369 771042828 /nfs/dbraw/zinc/04/28/28/771042828.db2.gz YQSDBAKRCVQCKL-ZDUSSCGKSA-N 1 1 348.451 0.927 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)CC(C)(C)C1 ZINC001089427937 771141704 /nfs/dbraw/zinc/14/17/04/771141704.db2.gz TZYQBDVUCCISQH-AWEZNQCLSA-N 1 1 335.452 0.765 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)Nc1ccnc(C#N)n1 ZINC001089435130 771167737 /nfs/dbraw/zinc/16/77/37/771167737.db2.gz QOLZVBLQGHFYNJ-NEPJUHHUSA-N 1 1 327.392 0.671 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001056407656 771236943 /nfs/dbraw/zinc/23/69/43/771236943.db2.gz XAAUITVBFSHXRR-MKVSYHDVSA-N 1 1 325.416 0.846 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001056411813 771243755 /nfs/dbraw/zinc/24/37/55/771243755.db2.gz DFHNLKWOYKDEAU-CTNYNGJSSA-N 1 1 325.416 0.988 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001019405670 771259888 /nfs/dbraw/zinc/25/98/88/771259888.db2.gz OSABGOKQJAJKIW-MJBXVCDLSA-N 1 1 331.420 0.964 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001056443883 771275030 /nfs/dbraw/zinc/27/50/30/771275030.db2.gz XDOQIRVKCLRFQJ-IKGGRYGDSA-N 1 1 349.475 0.957 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)CC[N@H+]1C ZINC001056444746 771276276 /nfs/dbraw/zinc/27/62/76/771276276.db2.gz MXSIRVCKJODBHT-UYLCMAPUSA-N 1 1 326.404 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)COCC ZINC001056452912 771282999 /nfs/dbraw/zinc/28/29/99/771282999.db2.gz OBMYTZZXDRUWSR-ZACQAIPSSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)COCC ZINC001056452912 771283006 /nfs/dbraw/zinc/28/30/06/771283006.db2.gz OBMYTZZXDRUWSR-ZACQAIPSSA-N 1 1 347.459 0.712 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127472489 771300967 /nfs/dbraw/zinc/30/09/67/771300967.db2.gz NJDDDRYSXHAJPV-UKRRQHHQSA-N 1 1 346.435 0.433 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3F)C[C@H]21 ZINC001056466544 771303950 /nfs/dbraw/zinc/30/39/50/771303950.db2.gz AFBOACGMPDDWIQ-RFQIPJPRSA-N 1 1 329.379 0.264 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3F)C[C@H]21 ZINC001056466544 771303953 /nfs/dbraw/zinc/30/39/53/771303953.db2.gz AFBOACGMPDDWIQ-RFQIPJPRSA-N 1 1 329.379 0.264 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC(C)(C)C1 ZINC001089491398 771326108 /nfs/dbraw/zinc/32/61/08/771326108.db2.gz NFERQSTWCDIZBG-SOUVJXGZSA-N 1 1 335.448 0.649 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127485851 771334597 /nfs/dbraw/zinc/33/45/97/771334597.db2.gz DXHKXRQITBQNSC-AWEZNQCLSA-N 1 1 346.435 0.719 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCOCCNc2cncc(C#N)n2)C1 ZINC001127486187 771335120 /nfs/dbraw/zinc/33/51/20/771335120.db2.gz JUQWKUANODPOLS-CQSZACIVSA-N 1 1 346.435 0.577 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)nn1 ZINC001019482510 771345950 /nfs/dbraw/zinc/34/59/50/771345950.db2.gz XWEZLAGFULBGIG-LBPRGKRZSA-N 1 1 342.407 0.464 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(CC)s3)C2)nn1 ZINC001019482360 771346379 /nfs/dbraw/zinc/34/63/79/771346379.db2.gz QOZMUVVJBMVGRV-NSHDSACASA-N 1 1 347.448 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001019500433 771368033 /nfs/dbraw/zinc/36/80/33/771368033.db2.gz WUNDGISBWNXQAO-BPUTZDHNSA-N 1 1 333.436 0.970 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCCO1 ZINC001089543226 771434369 /nfs/dbraw/zinc/43/43/69/771434369.db2.gz IAEBLKNSRJSTDV-OAHLLOKOSA-N 1 1 346.435 0.400 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cncc(F)c3)C2)C1=O ZINC001031610423 771438988 /nfs/dbraw/zinc/43/89/88/771438988.db2.gz JWPUXEWUTVZWIR-OAHLLOKOSA-N 1 1 332.379 0.669 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCCO1 ZINC001089549593 771453634 /nfs/dbraw/zinc/45/36/34/771453634.db2.gz XJKSDYJKBWNRJM-AWEZNQCLSA-N 1 1 346.435 0.402 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC(C)(C)C1 ZINC001089553686 771469158 /nfs/dbraw/zinc/46/91/58/771469158.db2.gz YSNGYNVEJGIJHJ-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC(C)(C)C1 ZINC001089556408 771475539 /nfs/dbraw/zinc/47/55/39/771475539.db2.gz QZECDPQOOMSIFE-ZDUSSCGKSA-N 1 1 336.436 0.673 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)CC(C)(C)C1 ZINC001089557208 771478861 /nfs/dbraw/zinc/47/88/61/771478861.db2.gz XRRPZXRBDRTBDA-CYBMUJFWSA-N 1 1 343.431 0.819 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)CC(C)(C)C1 ZINC001089559935 771488267 /nfs/dbraw/zinc/48/82/67/771488267.db2.gz UNSHHTJLCOFGKS-IAGOWNOFSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561401 771494727 /nfs/dbraw/zinc/49/47/27/771494727.db2.gz PKLLZGXWZTVGAO-UONOGXRCSA-N 1 1 343.493 0.861 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)C2CCN(C(=O)C(F)F)CC2)C1=O ZINC001089568175 771525966 /nfs/dbraw/zinc/52/59/66/771525966.db2.gz GAEUKDDNRQTUTL-ZDUSSCGKSA-N 1 1 345.390 0.324 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001019590928 771556507 /nfs/dbraw/zinc/55/65/07/771556507.db2.gz SLKUBUZWFNGNIC-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO N#CCOc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)cc1 ZINC001019628806 771629191 /nfs/dbraw/zinc/62/91/91/771629191.db2.gz SBKUDQXGKSBASZ-AWEZNQCLSA-N 1 1 340.387 0.640 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)ccc1F ZINC001042209685 782941117 /nfs/dbraw/zinc/94/11/17/782941117.db2.gz CGEYILPCRFEVAR-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)ccc1F ZINC001042209685 782941120 /nfs/dbraw/zinc/94/11/20/782941120.db2.gz CGEYILPCRFEVAR-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)O1 ZINC001056812295 771676020 /nfs/dbraw/zinc/67/60/20/771676020.db2.gz UYUGKIWQYDLZPS-YRGRVCCFSA-N 1 1 330.392 0.080 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)O1 ZINC001056812295 771676022 /nfs/dbraw/zinc/67/60/22/771676022.db2.gz UYUGKIWQYDLZPS-YRGRVCCFSA-N 1 1 330.392 0.080 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CCCCC1 ZINC001056832724 771701302 /nfs/dbraw/zinc/70/13/02/771701302.db2.gz JSAVGSZRCUPNHE-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CCCCC1 ZINC001056832724 771701305 /nfs/dbraw/zinc/70/13/05/771701305.db2.gz JSAVGSZRCUPNHE-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO Cc1cc(N(C)[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001056879348 771756380 /nfs/dbraw/zinc/75/63/80/771756380.db2.gz AYSTVOUNFWBKMO-RDJZCZTQSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1cc(N(C)[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001056879348 771756382 /nfs/dbraw/zinc/75/63/82/771756382.db2.gz AYSTVOUNFWBKMO-RDJZCZTQSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001056926351 771814894 /nfs/dbraw/zinc/81/48/94/771814894.db2.gz FNMFDDDHACDWJF-UKRRQHHQSA-N 1 1 328.420 0.646 20 30 ECEDMO CN(c1ccc(C#N)cn1)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056939839 771835890 /nfs/dbraw/zinc/83/58/90/771835890.db2.gz FGVDVUVKOXMSPZ-INIZCTEOSA-N 1 1 343.431 0.713 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 ZINC001057027618 771963517 /nfs/dbraw/zinc/96/35/17/771963517.db2.gz LVCNXYQXQHBFBT-ZIAGYGMSSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057060306 772014322 /nfs/dbraw/zinc/01/43/22/772014322.db2.gz IIICNPDXZUZQPS-CVEARBPZSA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057060306 772014328 /nfs/dbraw/zinc/01/43/28/772014328.db2.gz IIICNPDXZUZQPS-CVEARBPZSA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 ZINC001057060555 772014767 /nfs/dbraw/zinc/01/47/67/772014767.db2.gz MBTAOSAZQUBWQJ-CVEARBPZSA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 ZINC001057060555 772014771 /nfs/dbraw/zinc/01/47/71/772014771.db2.gz MBTAOSAZQUBWQJ-CVEARBPZSA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]21 ZINC001042243953 782975923 /nfs/dbraw/zinc/97/59/23/782975923.db2.gz UZSIAGXCLXTXGV-HIFRSBDPSA-N 1 1 328.416 0.521 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]21 ZINC001042254453 782988894 /nfs/dbraw/zinc/98/88/94/782988894.db2.gz LAOIMZIOGMMZFP-DZGCQCFKSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]21 ZINC001042254453 782988899 /nfs/dbraw/zinc/98/88/99/782988899.db2.gz LAOIMZIOGMMZFP-DZGCQCFKSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001057174080 772214274 /nfs/dbraw/zinc/21/42/74/772214274.db2.gz PZHJUGUCXCSJTB-GASCZTMLSA-N 1 1 325.453 0.763 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C)CC[N@H+]1C ZINC001020201462 772276814 /nfs/dbraw/zinc/27/68/14/772276814.db2.gz CNHNETYCTAGCSK-KOZAUXTDSA-N 1 1 343.431 0.946 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057212956 772288058 /nfs/dbraw/zinc/28/80/58/772288058.db2.gz ZZDIWPOMUOXYFB-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCCCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057214306 772291638 /nfs/dbraw/zinc/29/16/38/772291638.db2.gz XVOSJQBPHUUXOW-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCCN(c3cncc(C#N)n3)CC2)C1 ZINC001057234823 772319275 /nfs/dbraw/zinc/31/92/75/772319275.db2.gz QXSROOMCWNABFR-CQSZACIVSA-N 1 1 328.420 0.729 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057252770 772347093 /nfs/dbraw/zinc/34/70/93/772347093.db2.gz NNTYEWCVKNWHFQ-HNNXBMFYSA-N 1 1 338.415 0.485 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057252770 772347097 /nfs/dbraw/zinc/34/70/97/772347097.db2.gz NNTYEWCVKNWHFQ-HNNXBMFYSA-N 1 1 338.415 0.485 20 30 ECEDMO C=CCOCCCC(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001057266900 772375253 /nfs/dbraw/zinc/37/52/53/772375253.db2.gz MEOQDVXUCXRFKR-UHFFFAOYSA-N 1 1 343.468 0.248 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(C)n2)[C@H]1C ZINC001020273632 772385735 /nfs/dbraw/zinc/38/57/35/772385735.db2.gz ZXBYYQBEADTCDM-DZKIICNBSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn(C)n2)[C@H]1C ZINC001020273632 772385737 /nfs/dbraw/zinc/38/57/37/772385737.db2.gz ZXBYYQBEADTCDM-DZKIICNBSA-N 1 1 343.431 0.237 20 30 ECEDMO Cc1ccc(C#N)c(NC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001057303163 772432882 /nfs/dbraw/zinc/43/28/82/772432882.db2.gz GQTHQPDQYGUNQK-MRXNPFEDSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1ccc(C#N)c(NC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001057303163 772432887 /nfs/dbraw/zinc/43/28/87/772432887.db2.gz GQTHQPDQYGUNQK-MRXNPFEDSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC1(C)C ZINC001057366823 772526883 /nfs/dbraw/zinc/52/68/83/772526883.db2.gz GWTYXGPLWCCYOZ-CABCVRRESA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC1(C)C ZINC001057366823 772526884 /nfs/dbraw/zinc/52/68/84/772526884.db2.gz GWTYXGPLWCCYOZ-CABCVRRESA-N 1 1 335.448 0.067 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001057390304 772558704 /nfs/dbraw/zinc/55/87/04/772558704.db2.gz WKNSYVQLFZIEOK-CVEARBPZSA-N 1 1 337.464 0.315 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057442810 772619012 /nfs/dbraw/zinc/61/90/12/772619012.db2.gz QUXLXVAPBVUIKE-DLBZAZTESA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001057445560 772622939 /nfs/dbraw/zinc/62/29/39/772622939.db2.gz ZLZNKKWDPCRLFH-IRXDYDNUSA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057602872 772801277 /nfs/dbraw/zinc/80/12/77/772801277.db2.gz XTBVDNACCMROBM-GXTWGEPZSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057602872 772801279 /nfs/dbraw/zinc/80/12/79/772801279.db2.gz XTBVDNACCMROBM-GXTWGEPZSA-N 1 1 330.392 0.082 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001057636379 772843709 /nfs/dbraw/zinc/84/37/09/772843709.db2.gz QSGUUZJHJTYOOS-OAHLLOKOSA-N 1 1 335.448 0.069 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739811 772956872 /nfs/dbraw/zinc/95/68/72/772956872.db2.gz QTRKZZWDMRBVGP-OWCLPIDISA-N 1 1 339.480 0.866 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057785749 772981165 /nfs/dbraw/zinc/98/11/65/772981165.db2.gz OVZRDVLKJPOTDZ-HNNXBMFYSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CCN(c3ccncc3C#N)CC2)C1 ZINC001057786032 772981672 /nfs/dbraw/zinc/98/16/72/772981672.db2.gz BSIBSQZXDTXIGK-KRWDZBQOSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CCN(c3ccncc3C#N)CC2)C1 ZINC001057786032 772981673 /nfs/dbraw/zinc/98/16/73/772981673.db2.gz BSIBSQZXDTXIGK-KRWDZBQOSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ncccc3C#N)CC2)C1 ZINC001057845457 773063363 /nfs/dbraw/zinc/06/33/63/773063363.db2.gz GVSOVGOPJQSREL-OAHLLOKOSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ncccc3C#N)CC2)C1 ZINC001057845457 773063365 /nfs/dbraw/zinc/06/33/65/773063365.db2.gz GVSOVGOPJQSREL-OAHLLOKOSA-N 1 1 329.404 0.369 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001057903835 773165515 /nfs/dbraw/zinc/16/55/15/773165515.db2.gz ZISVLRHJOXDZMO-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057945943 773247044 /nfs/dbraw/zinc/24/70/44/773247044.db2.gz MRVWEPKSWGBYEL-SWLSCSKDSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C=C(CC)CC ZINC001057961019 773289917 /nfs/dbraw/zinc/28/99/17/773289917.db2.gz GAQCYNODBFBESB-KRWDZBQOSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C=C(CC)CC ZINC001057961019 773289924 /nfs/dbraw/zinc/28/99/24/773289924.db2.gz GAQCYNODBFBESB-KRWDZBQOSA-N 1 1 349.475 0.768 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058038981 773404589 /nfs/dbraw/zinc/40/45/89/773404589.db2.gz MFEFILJXHFKVNY-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001058039390 773406736 /nfs/dbraw/zinc/40/67/36/773406736.db2.gz YPQHNSMMVUXMSD-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001040608572 783094892 /nfs/dbraw/zinc/09/48/92/783094892.db2.gz FAWZLFANIKCGRM-MAUKXSAKSA-N 1 1 335.448 0.354 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001040608574 783094946 /nfs/dbraw/zinc/09/49/46/783094946.db2.gz FAWZLFANIKCGRM-YJBOKZPZSA-N 1 1 335.448 0.354 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058087081 773508529 /nfs/dbraw/zinc/50/85/29/773508529.db2.gz CWOCWGAKDYCYNJ-BBRMVZONSA-N 1 1 342.447 0.973 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058157778 773658754 /nfs/dbraw/zinc/65/87/54/773658754.db2.gz HUZGBKUQBLJUOZ-HOTGVXAUSA-N 1 1 339.480 0.868 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001058166318 773679811 /nfs/dbraw/zinc/67/98/11/773679811.db2.gz YJGRSEKLIIHURH-KBPBESRZSA-N 1 1 328.420 0.693 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058241752 773829978 /nfs/dbraw/zinc/82/99/78/773829978.db2.gz YWDCCPMKWMMZDZ-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001058288236 773923941 /nfs/dbraw/zinc/92/39/41/773923941.db2.gz WDRINKWFEJNNFY-LSDHHAIUSA-N 1 1 339.480 0.724 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cccc(F)c3C#N)C2)C1 ZINC001058317123 773961803 /nfs/dbraw/zinc/96/18/03/773961803.db2.gz PBMUMPUSQCYLIY-LRDDRELGSA-N 1 1 332.379 0.723 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cccc(F)c3C#N)C2)C1 ZINC001058317123 773961807 /nfs/dbraw/zinc/96/18/07/773961807.db2.gz PBMUMPUSQCYLIY-LRDDRELGSA-N 1 1 332.379 0.723 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058376695 774061313 /nfs/dbraw/zinc/06/13/13/774061313.db2.gz TXMBPPCAGMOHRU-ZBFHGGJFSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)C1 ZINC001058376695 774061318 /nfs/dbraw/zinc/06/13/18/774061318.db2.gz TXMBPPCAGMOHRU-ZBFHGGJFSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058381990 774069928 /nfs/dbraw/zinc/06/99/28/774069928.db2.gz ZWKLPJCIZBGCCP-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058446853 774199701 /nfs/dbraw/zinc/19/97/01/774199701.db2.gz KREHNSUOBYGKPI-KBPBESRZSA-N 1 1 328.420 0.916 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058447270 774200490 /nfs/dbraw/zinc/20/04/90/774200490.db2.gz UMHCHBULLUUNQH-GJZGRUSLSA-N 1 1 328.420 0.916 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(C1)CC[NH+](CCS(C)(=O)=O)CC2 ZINC001040643686 783166199 /nfs/dbraw/zinc/16/61/99/783166199.db2.gz KIRZXUNIYDAIJN-CYBMUJFWSA-N 1 1 327.450 0.505 20 30 ECEDMO C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001039830428 783167759 /nfs/dbraw/zinc/16/77/59/783167759.db2.gz GYJXLMUWMOICCN-CXAGYDPISA-N 1 1 334.420 0.634 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058582421 774474696 /nfs/dbraw/zinc/47/46/96/774474696.db2.gz JAMZSIDRSDEIMV-LSDHHAIUSA-N 1 1 328.420 0.918 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058582886 774475512 /nfs/dbraw/zinc/47/55/12/774475512.db2.gz UTZIXOMSUUTNKK-KBPBESRZSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3F)C2)O1 ZINC001058588333 774487183 /nfs/dbraw/zinc/48/71/83/774487183.db2.gz XKJIXFNGHSCDIR-UXIGCNINSA-N 1 1 347.394 0.506 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3F)C2)O1 ZINC001058588333 774487186 /nfs/dbraw/zinc/48/71/86/774487186.db2.gz XKJIXFNGHSCDIR-UXIGCNINSA-N 1 1 347.394 0.506 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nc(C)ncc2C)C1 ZINC001058589752 774491240 /nfs/dbraw/zinc/49/12/40/774491240.db2.gz LTUAOWJWPJNRCC-HOTGVXAUSA-N 1 1 327.432 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nc(C)ncc2C)C1 ZINC001058589752 774491242 /nfs/dbraw/zinc/49/12/42/774491242.db2.gz LTUAOWJWPJNRCC-HOTGVXAUSA-N 1 1 327.432 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncc(C#N)cc2F)C1 ZINC001058590982 774493835 /nfs/dbraw/zinc/49/38/35/774493835.db2.gz RUENVNUFUHGERM-ZBFHGGJFSA-N 1 1 341.390 0.885 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncc(C#N)cc2F)C1 ZINC001058590982 774493836 /nfs/dbraw/zinc/49/38/36/774493836.db2.gz RUENVNUFUHGERM-ZBFHGGJFSA-N 1 1 341.390 0.885 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058623196 774560817 /nfs/dbraw/zinc/56/08/17/774560817.db2.gz JWOHDTKCANJDSW-GJZGRUSLSA-N 1 1 325.453 0.478 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001044778597 774602325 /nfs/dbraw/zinc/60/23/25/774602325.db2.gz GCBABIYPEGQJOM-KFWWJZLASA-N 1 1 329.404 0.103 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3cnon3)C[C@H]2C)CC1 ZINC001044870866 774693823 /nfs/dbraw/zinc/69/38/23/774693823.db2.gz HBIVOWPFHFWZGT-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1)c1nncn1C ZINC001044999830 774817281 /nfs/dbraw/zinc/81/72/81/774817281.db2.gz NYMIZTBFPBLUDC-YPMHNXCESA-N 1 1 327.392 0.970 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001045002850 774821984 /nfs/dbraw/zinc/82/19/84/774821984.db2.gz JQSTUGRUGDYGRD-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070018183 790343067 /nfs/dbraw/zinc/34/30/67/790343067.db2.gz XXSWLGDMHONXFP-CVEARBPZSA-N 1 1 329.404 0.380 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070018183 790343079 /nfs/dbraw/zinc/34/30/79/790343079.db2.gz XXSWLGDMHONXFP-CVEARBPZSA-N 1 1 329.404 0.380 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070017953 790343772 /nfs/dbraw/zinc/34/37/72/790343772.db2.gz KDKSYDHBPAICAW-CVEARBPZSA-N 1 1 329.404 0.380 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001043993436 775476363 /nfs/dbraw/zinc/47/63/63/775476363.db2.gz XCPOGYHJULDAFB-IKGGRYGDSA-N 1 1 343.431 0.493 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001044062418 775619419 /nfs/dbraw/zinc/61/94/19/775619419.db2.gz BYRYFKUNYUVAEF-IMJJTQAJSA-N 1 1 343.431 0.269 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)[C@@H](n2ccnn2)C1 ZINC001070029196 790384422 /nfs/dbraw/zinc/38/44/22/790384422.db2.gz ZVAKCXJKTCBLPS-KQTLUZQSSA-N 1 1 341.419 0.343 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)[C@@H](n2ccnn2)C1 ZINC001070029196 790384433 /nfs/dbraw/zinc/38/44/33/790384433.db2.gz ZVAKCXJKTCBLPS-KQTLUZQSSA-N 1 1 341.419 0.343 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001045552194 775782021 /nfs/dbraw/zinc/78/20/21/775782021.db2.gz QVBYKQNENOFOKY-KBPBESRZSA-N 1 1 336.436 0.098 20 30 ECEDMO C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)C3=NC(=O)N(C)C3)C2)CC1 ZINC001045679287 776027921 /nfs/dbraw/zinc/02/79/21/776027921.db2.gz IEMYJXMBSOGURV-CYBMUJFWSA-N 1 1 332.404 0.360 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(Cc3cccc(C#N)c3)C2)C1 ZINC001044322629 776148943 /nfs/dbraw/zinc/14/89/43/776148943.db2.gz LEJSJKTXSOOYNY-SFHVURJKSA-N 1 1 342.443 0.922 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(Cc3cccc(C#N)c3)C2)C1 ZINC001044322629 776148950 /nfs/dbraw/zinc/14/89/50/776148950.db2.gz LEJSJKTXSOOYNY-SFHVURJKSA-N 1 1 342.443 0.922 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070040964 790423549 /nfs/dbraw/zinc/42/35/49/790423549.db2.gz OHBHBBNNWQYDBF-KGLIPLIRSA-N 1 1 349.826 0.746 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070040964 790423558 /nfs/dbraw/zinc/42/35/58/790423558.db2.gz OHBHBBNNWQYDBF-KGLIPLIRSA-N 1 1 349.826 0.746 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)CCC)C2)cc1 ZINC001044363889 776220357 /nfs/dbraw/zinc/22/03/57/776220357.db2.gz ONQKCPFJIFEIDB-UHFFFAOYSA-N 1 1 343.427 0.313 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001044474682 776334066 /nfs/dbraw/zinc/33/40/66/776334066.db2.gz BZMXVSIUJKKLIB-UHFFFAOYSA-N 1 1 325.453 0.618 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001044479190 776342650 /nfs/dbraw/zinc/34/26/50/776342650.db2.gz WCUNMHNKSGTQHH-UHFFFAOYSA-N 1 1 348.447 0.908 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079648451 776607030 /nfs/dbraw/zinc/60/70/30/776607030.db2.gz VNMPRHFATGOBKC-KCPJHIHWSA-N 1 1 328.372 0.603 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079648451 776607033 /nfs/dbraw/zinc/60/70/33/776607033.db2.gz VNMPRHFATGOBKC-KCPJHIHWSA-N 1 1 328.372 0.603 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)CC[N@H+]1C ZINC001044667270 776608400 /nfs/dbraw/zinc/60/84/00/776608400.db2.gz ZMGSFTBPRVBOAH-JJXSEGSLSA-N 1 1 343.431 0.349 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001079773708 776842471 /nfs/dbraw/zinc/84/24/71/776842471.db2.gz VCLRJWKYHZLRML-UHFFFAOYSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001079776604 776851575 /nfs/dbraw/zinc/85/15/75/776851575.db2.gz KIRZZRVKWZDKBC-OAHLLOKOSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079776876 776852668 /nfs/dbraw/zinc/85/26/68/776852668.db2.gz NXCYTKGLZFHXCA-IIAWOOMASA-N 1 1 335.448 0.424 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001079799818 776895017 /nfs/dbraw/zinc/89/50/17/776895017.db2.gz GPKOKYFAKULSLU-OWCLPIDISA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001079804947 776905842 /nfs/dbraw/zinc/90/58/42/776905842.db2.gz SXVJAPWAEIVAEG-ZDUSSCGKSA-N 1 1 334.420 0.842 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001079805167 776907502 /nfs/dbraw/zinc/90/75/02/776907502.db2.gz XYVDETHEHABWHH-MRXNPFEDSA-N 1 1 349.475 0.818 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 ZINC001079827517 776945658 /nfs/dbraw/zinc/94/56/58/776945658.db2.gz FNOKXFQPGRNJBK-HZSPNIEDSA-N 1 1 332.452 0.991 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](n2ccnn2)C1 ZINC001070067562 790495601 /nfs/dbraw/zinc/49/56/01/790495601.db2.gz NWYQQMFUBSNHGM-KGLIPLIRSA-N 1 1 331.380 0.130 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc(OC)nc2)[C@@H](n2ccnn2)C1 ZINC001070069220 790499787 /nfs/dbraw/zinc/49/97/87/790499787.db2.gz QSRYDLAGYSKTDN-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc(OC)nc2)[C@@H](n2ccnn2)C1 ZINC001070069220 790499797 /nfs/dbraw/zinc/49/97/97/790499797.db2.gz QSRYDLAGYSKTDN-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001079960116 777152306 /nfs/dbraw/zinc/15/23/06/777152306.db2.gz GWVGWXWPVRIOQJ-QMTHXVAHSA-N 1 1 336.823 0.912 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001079960116 777152310 /nfs/dbraw/zinc/15/23/10/777152310.db2.gz GWVGWXWPVRIOQJ-QMTHXVAHSA-N 1 1 336.823 0.912 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079983454 777191538 /nfs/dbraw/zinc/19/15/38/777191538.db2.gz YKTIPJYBSSADNG-IIAWOOMASA-N 1 1 337.464 0.977 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001079984650 777193400 /nfs/dbraw/zinc/19/34/00/777193400.db2.gz DQRBTJRJOYFQTA-HZSPNIEDSA-N 1 1 333.436 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COCC2CC2)C1 ZINC001080009105 777221581 /nfs/dbraw/zinc/22/15/81/777221581.db2.gz QLZPDACFGOXMHB-KRWDZBQOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COCC2CC2)C1 ZINC001080009105 777221586 /nfs/dbraw/zinc/22/15/86/777221586.db2.gz QLZPDACFGOXMHB-KRWDZBQOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001080012613 777227950 /nfs/dbraw/zinc/22/79/50/777227950.db2.gz HPUUHEOGDNXSKR-HZPDHXFCSA-N 1 1 349.475 0.958 20 30 ECEDMO CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)CSCC#N)C1 ZINC001080051176 777305920 /nfs/dbraw/zinc/30/59/20/777305920.db2.gz PEFDLBYASAVABI-CQSZACIVSA-N 1 1 338.477 0.787 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cncn3C)C2)C1=O ZINC001080058063 777317297 /nfs/dbraw/zinc/31/72/97/777317297.db2.gz GVVZXIMGBUEPEJ-MGPQQGTHSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cncn3C)C2)C1=O ZINC001080058063 777317301 /nfs/dbraw/zinc/31/73/01/777317301.db2.gz GVVZXIMGBUEPEJ-MGPQQGTHSA-N 1 1 331.420 0.257 20 30 ECEDMO CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001080140033 777448575 /nfs/dbraw/zinc/44/85/75/777448575.db2.gz GQRSTNGYTNLRDZ-ZDUSSCGKSA-N 1 1 343.431 0.901 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(CC)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001080191619 777527594 /nfs/dbraw/zinc/52/75/94/777527594.db2.gz SPLIMOJGRWHWPN-UHFFFAOYSA-N 1 1 331.420 0.901 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2OC)[C@@H](n2ccnn2)C1 ZINC001070084411 790548544 /nfs/dbraw/zinc/54/85/44/790548544.db2.gz BAGWXIAJAATYQX-KGLIPLIRSA-N 1 1 345.407 0.252 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001080333449 777702017 /nfs/dbraw/zinc/70/20/17/777702017.db2.gz NWYKINCUOYCOEQ-BPLDGKMQSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001080333449 777702024 /nfs/dbraw/zinc/70/20/24/777702024.db2.gz NWYKINCUOYCOEQ-BPLDGKMQSA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080346466 777719924 /nfs/dbraw/zinc/71/99/24/777719924.db2.gz BCJPNCUOWWIEDG-QMTHXVAHSA-N 1 1 343.412 0.953 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080346466 777719929 /nfs/dbraw/zinc/71/99/29/777719929.db2.gz BCJPNCUOWWIEDG-QMTHXVAHSA-N 1 1 343.412 0.953 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043189507 777916593 /nfs/dbraw/zinc/91/65/93/777916593.db2.gz ISDWAAFWGIVXMX-MRXNPFEDSA-N 1 1 349.475 0.929 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070093085 790576483 /nfs/dbraw/zinc/57/64/83/790576483.db2.gz GFPHSWHPRPWQOU-HNNXBMFYSA-N 1 1 335.448 0.523 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001043205598 777955526 /nfs/dbraw/zinc/95/55/26/777955526.db2.gz FUUMRQKYKFFRBN-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001043211359 777972827 /nfs/dbraw/zinc/97/28/27/777972827.db2.gz DQSAHEALOXTCCP-FVQBIDKESA-N 1 1 343.431 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001043211359 777972832 /nfs/dbraw/zinc/97/28/32/777972832.db2.gz DQSAHEALOXTCCP-FVQBIDKESA-N 1 1 343.431 0.933 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001043266743 778070139 /nfs/dbraw/zinc/07/01/39/778070139.db2.gz LAVHEWPSZCRWIL-GDBMZVCRSA-N 1 1 349.475 0.763 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2C)cc1 ZINC001080575463 778073216 /nfs/dbraw/zinc/07/32/16/778073216.db2.gz XWZYILGVUXAALQ-XYPHTWIQSA-N 1 1 341.411 0.637 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2C)cc1 ZINC001080575463 778073227 /nfs/dbraw/zinc/07/32/27/778073227.db2.gz XWZYILGVUXAALQ-XYPHTWIQSA-N 1 1 341.411 0.637 20 30 ECEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 ZINC001043269876 778076683 /nfs/dbraw/zinc/07/66/83/778076683.db2.gz SJGOLGUWRUAYAE-QWHCGFSZSA-N 1 1 347.419 0.246 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001043272417 778080412 /nfs/dbraw/zinc/08/04/12/778080412.db2.gz RIRDOVMIKOOVNL-LSDHHAIUSA-N 1 1 349.475 0.763 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001043430403 778316546 /nfs/dbraw/zinc/31/65/46/778316546.db2.gz GATFEOOQVXBAMT-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2F)C1 ZINC001043589566 778553036 /nfs/dbraw/zinc/55/30/36/778553036.db2.gz GNXPAEBSKBSFDO-MCIONIFRSA-N 1 1 331.395 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2F)C1 ZINC001043589566 778553041 /nfs/dbraw/zinc/55/30/41/778553041.db2.gz GNXPAEBSKBSFDO-MCIONIFRSA-N 1 1 331.395 0.972 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1Nc1ccncc1C#N ZINC001043596593 778566127 /nfs/dbraw/zinc/56/61/27/778566127.db2.gz MTXQTOWJHAWTIC-BQGCOEIASA-N 1 1 343.431 0.353 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1Nc1ccncc1C#N ZINC001043596593 778566136 /nfs/dbraw/zinc/56/61/36/778566136.db2.gz MTXQTOWJHAWTIC-BQGCOEIASA-N 1 1 343.431 0.353 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043615453 778597502 /nfs/dbraw/zinc/59/75/02/778597502.db2.gz QWTMLHFCWWJUGV-KBPBESRZSA-N 1 1 339.480 0.864 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)O2 ZINC001068586947 790639330 /nfs/dbraw/zinc/63/93/30/790639330.db2.gz NZYRLUQHBZWTLU-HIFRSBDPSA-N 1 1 348.447 0.507 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccncc2C#N)C1 ZINC001068588363 790642814 /nfs/dbraw/zinc/64/28/14/790642814.db2.gz GKTLTYZACNGQHI-SDADXPQNSA-N 1 1 327.432 0.880 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068588948 790645387 /nfs/dbraw/zinc/64/53/87/790645387.db2.gz OYGQJPPYNPJMBG-XUXIUFHCSA-N 1 1 328.420 0.275 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)C#CC(C)(C)C)CCOCC2)C1 ZINC001070112961 790647341 /nfs/dbraw/zinc/64/73/41/790647341.db2.gz AIAIUANSWVEYOZ-OAHLLOKOSA-N 1 1 349.475 0.769 20 30 ECEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)CC)C[C@@H]1n1ccnn1 ZINC001070120406 790675179 /nfs/dbraw/zinc/67/51/79/790675179.db2.gz NKCBSYRGQIYCSM-MNOVXSKESA-N 1 1 328.214 0.938 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070123296 790688957 /nfs/dbraw/zinc/68/89/57/790688957.db2.gz JPASUYFGAYPXGI-UHFFFAOYSA-N 1 1 344.415 0.387 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070132400 790711359 /nfs/dbraw/zinc/71/13/59/790711359.db2.gz AKIRRRWJOOMPQE-BFHYXJOUSA-N 1 1 336.436 0.268 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@H]21 ZINC001042271482 779951790 /nfs/dbraw/zinc/95/17/90/779951790.db2.gz YYKCRKWLZDBEBJ-HUUCEWRRSA-N 1 1 346.431 0.426 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001078481229 779954752 /nfs/dbraw/zinc/95/47/52/779954752.db2.gz MFMQYKFIALMKRA-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC001042301700 780022664 /nfs/dbraw/zinc/02/26/64/780022664.db2.gz MJAHYVQZANEDIB-CHWSQXEVSA-N 1 1 334.420 0.426 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@H]21 ZINC001042310541 780046462 /nfs/dbraw/zinc/04/64/62/780046462.db2.gz UGBSIEVCOIZKKD-XJKSGUPXSA-N 1 1 338.415 0.980 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001042345135 780107996 /nfs/dbraw/zinc/10/79/96/780107996.db2.gz IFZXACRFGYFZDJ-STQMWFEESA-N 1 1 339.823 0.811 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001042345135 780108005 /nfs/dbraw/zinc/10/80/05/780108005.db2.gz IFZXACRFGYFZDJ-STQMWFEESA-N 1 1 339.823 0.811 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@@H]1n1ccnn1 ZINC001070151524 790766776 /nfs/dbraw/zinc/76/67/76/790766776.db2.gz CTOOAKYDAHYBEB-OLZOCXBDSA-N 1 1 335.799 0.717 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070151524 790766778 /nfs/dbraw/zinc/76/67/78/790766778.db2.gz CTOOAKYDAHYBEB-OLZOCXBDSA-N 1 1 335.799 0.717 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(C(N)=O)cc3)C[C@@H]21 ZINC001042375380 780164462 /nfs/dbraw/zinc/16/44/62/780164462.db2.gz WFYGTDWDWJLIDC-RDJZCZTQSA-N 1 1 325.412 0.884 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]21 ZINC001042376381 780165914 /nfs/dbraw/zinc/16/59/14/780165914.db2.gz REQPANCPNIYOBJ-CJNGLKHVSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccnc(-n4cncn4)c3)C[C@@H]21 ZINC001042384133 780185046 /nfs/dbraw/zinc/18/50/46/780185046.db2.gz JENAXRNJSXTZIY-HOCLYGCPSA-N 1 1 336.399 0.832 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C23CCC3)nn1 ZINC001078743948 780423353 /nfs/dbraw/zinc/42/33/53/780423353.db2.gz LARXBPNASBYCFQ-KGLIPLIRSA-N 1 1 343.391 0.678 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2ccc(C#N)cc2)C1 ZINC001042572954 780463992 /nfs/dbraw/zinc/46/39/92/780463992.db2.gz ASUYXCXHFRXFFN-QGZVFWFLSA-N 1 1 328.416 0.531 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2ccc(C#N)cc2)C1 ZINC001042572954 780463995 /nfs/dbraw/zinc/46/39/95/780463995.db2.gz ASUYXCXHFRXFFN-QGZVFWFLSA-N 1 1 328.416 0.531 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2ccc(C#N)c(F)c2)C1 ZINC001042573131 780464201 /nfs/dbraw/zinc/46/42/01/780464201.db2.gz DATFCOWAZPLTKX-KRWDZBQOSA-N 1 1 346.406 0.671 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2ccc(C#N)c(F)c2)C1 ZINC001042573131 780464204 /nfs/dbraw/zinc/46/42/04/780464204.db2.gz DATFCOWAZPLTKX-KRWDZBQOSA-N 1 1 346.406 0.671 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CC#Cc2ccc(F)cc2)C1 ZINC001042573850 780468414 /nfs/dbraw/zinc/46/84/14/780468414.db2.gz WBIIZMAEWJWGFH-SFHVURJKSA-N 1 1 345.418 0.650 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CC#Cc2ccc(F)cc2)C1 ZINC001042573850 780468417 /nfs/dbraw/zinc/46/84/17/780468417.db2.gz WBIIZMAEWJWGFH-SFHVURJKSA-N 1 1 345.418 0.650 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001042629295 780553753 /nfs/dbraw/zinc/55/37/53/780553753.db2.gz CBJFCTMKHUQUQW-BQGCOEIASA-N 1 1 343.431 0.613 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001042629295 780553759 /nfs/dbraw/zinc/55/37/59/780553759.db2.gz CBJFCTMKHUQUQW-BQGCOEIASA-N 1 1 343.431 0.613 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001078896787 780594219 /nfs/dbraw/zinc/59/42/19/780594219.db2.gz UBMWNQAGQGNKPD-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001078896787 780594223 /nfs/dbraw/zinc/59/42/23/780594223.db2.gz UBMWNQAGQGNKPD-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042664450 780608190 /nfs/dbraw/zinc/60/81/90/780608190.db2.gz WGQOBXYCIDKDCA-MRXNPFEDSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001078960500 780655278 /nfs/dbraw/zinc/65/52/78/780655278.db2.gz WCDLRZHWDPKLQY-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO CO[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001042787105 780814328 /nfs/dbraw/zinc/81/43/28/780814328.db2.gz XQWGPNAXOJKEFN-HUUCEWRRSA-N 1 1 340.387 0.927 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2cocn2)CC1 ZINC001079164465 780845939 /nfs/dbraw/zinc/84/59/39/780845939.db2.gz FCUREWMMGJRKQE-AWEZNQCLSA-N 1 1 347.419 0.879 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001042806850 780856916 /nfs/dbraw/zinc/85/69/16/780856916.db2.gz LIWNOWOCOIKDKV-CVEARBPZSA-N 1 1 347.459 0.496 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001079342179 781005695 /nfs/dbraw/zinc/00/56/95/781005695.db2.gz CPTOQLGLINBZBA-CHWSQXEVSA-N 1 1 347.444 0.829 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccccn3)C2)C1=O ZINC001079357563 781025467 /nfs/dbraw/zinc/02/54/67/781025467.db2.gz RHNWYPVAIKIJCN-FVQBIDKESA-N 1 1 328.416 0.919 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccccn3)C2)C1=O ZINC001079357563 781025470 /nfs/dbraw/zinc/02/54/70/781025470.db2.gz RHNWYPVAIKIJCN-FVQBIDKESA-N 1 1 328.416 0.919 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001042937724 781067262 /nfs/dbraw/zinc/06/72/62/781067262.db2.gz KFZQNQOCULDOPN-HOTGVXAUSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nc(CCC)no2)C1 ZINC001042959942 781100905 /nfs/dbraw/zinc/10/09/05/781100905.db2.gz HBIJWYAOZYHLAD-HNNXBMFYSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nc(CCC)no2)C1 ZINC001042959942 781100910 /nfs/dbraw/zinc/10/09/10/781100910.db2.gz HBIJWYAOZYHLAD-HNNXBMFYSA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2cnccn2)C1 ZINC001042960750 781103503 /nfs/dbraw/zinc/10/35/03/781103503.db2.gz UFLHHLMTFSTQGU-YOEHRIQHSA-N 1 1 327.432 0.778 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2cnccn2)C1 ZINC001042960750 781103506 /nfs/dbraw/zinc/10/35/06/781103506.db2.gz UFLHHLMTFSTQGU-YOEHRIQHSA-N 1 1 327.432 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCc2cnn(C)c2)C1 ZINC001042960700 781103512 /nfs/dbraw/zinc/10/35/12/781103512.db2.gz SSHGPUOBBDSUSV-KRWDZBQOSA-N 1 1 329.448 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCc2cnn(C)c2)C1 ZINC001042960700 781103516 /nfs/dbraw/zinc/10/35/16/781103516.db2.gz SSHGPUOBBDSUSV-KRWDZBQOSA-N 1 1 329.448 0.203 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042969480 781115904 /nfs/dbraw/zinc/11/59/04/781115904.db2.gz VHEDFOADSQBSAB-CQSZACIVSA-N 1 1 335.448 0.210 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042969479 781116252 /nfs/dbraw/zinc/11/62/52/781116252.db2.gz VHEDFOADSQBSAB-AWEZNQCLSA-N 1 1 335.448 0.210 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042970284 781117754 /nfs/dbraw/zinc/11/77/54/781117754.db2.gz JBFBWGPETRQREK-UHFFFAOYSA-N 1 1 337.464 0.456 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042970752 781119157 /nfs/dbraw/zinc/11/91/57/781119157.db2.gz WHBKKFKWHLTUMT-OAHLLOKOSA-N 1 1 349.475 0.600 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001079440640 781121228 /nfs/dbraw/zinc/12/12/28/781121228.db2.gz OTYQYFBQCLWFLJ-KCPJHIHWSA-N 1 1 335.429 0.972 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001079440640 781121231 /nfs/dbraw/zinc/12/12/31/781121231.db2.gz OTYQYFBQCLWFLJ-KCPJHIHWSA-N 1 1 335.429 0.972 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@@H](C)OC)C1 ZINC001079464109 781147505 /nfs/dbraw/zinc/14/75/05/781147505.db2.gz TXAAXUKNSDWBEY-ZBFHGGJFSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@@H](C)OC)C1 ZINC001079464109 781147507 /nfs/dbraw/zinc/14/75/07/781147507.db2.gz TXAAXUKNSDWBEY-ZBFHGGJFSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCOCC)C1 ZINC001079481118 781164151 /nfs/dbraw/zinc/16/41/51/781164151.db2.gz VRAZGNRAZSGBPW-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCOCC)C1 ZINC001079481118 781164155 /nfs/dbraw/zinc/16/41/55/781164155.db2.gz VRAZGNRAZSGBPW-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001079499621 781190760 /nfs/dbraw/zinc/19/07/60/781190760.db2.gz QPYWHSJHMGDXCA-DAXOMENPSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001079499621 781190766 /nfs/dbraw/zinc/19/07/66/781190766.db2.gz QPYWHSJHMGDXCA-DAXOMENPSA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526629 781223177 /nfs/dbraw/zinc/22/31/77/781223177.db2.gz POAOSUGTKJNNJE-OLMNPRSZSA-N 1 1 342.443 0.825 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526629 781223179 /nfs/dbraw/zinc/22/31/79/781223179.db2.gz POAOSUGTKJNNJE-OLMNPRSZSA-N 1 1 342.443 0.825 20 30 ECEDMO C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079540373 781241496 /nfs/dbraw/zinc/24/14/96/781241496.db2.gz SMVKVGYDKZNJNZ-MLGOLLRUSA-N 1 1 326.404 0.913 20 30 ECEDMO C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592467 781295222 /nfs/dbraw/zinc/29/52/22/781295222.db2.gz HUHZXNVZWORNCC-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592467 781295229 /nfs/dbraw/zinc/29/52/29/781295229.db2.gz HUHZXNVZWORNCC-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041363748 781357304 /nfs/dbraw/zinc/35/73/04/781357304.db2.gz WJFHGYCYZOYTNQ-MRXNPFEDSA-N 1 1 341.839 0.522 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041363748 781357314 /nfs/dbraw/zinc/35/73/14/781357314.db2.gz WJFHGYCYZOYTNQ-MRXNPFEDSA-N 1 1 341.839 0.522 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001077649708 781423543 /nfs/dbraw/zinc/42/35/43/781423543.db2.gz AMOMVBYVDIHEDH-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001077649708 781423548 /nfs/dbraw/zinc/42/35/48/781423548.db2.gz AMOMVBYVDIHEDH-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O ZINC001041430470 781492300 /nfs/dbraw/zinc/49/23/00/781492300.db2.gz TVGCBZMNDHYESC-BZUAXINKSA-N 1 1 329.404 0.103 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C2)C1 ZINC001041448921 781539439 /nfs/dbraw/zinc/53/94/39/781539439.db2.gz GWNSJBLRIXTCKM-IBGZPJMESA-N 1 1 344.459 0.933 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C2)C1 ZINC001041448921 781539446 /nfs/dbraw/zinc/53/94/46/781539446.db2.gz GWNSJBLRIXTCKM-IBGZPJMESA-N 1 1 344.459 0.933 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001041505074 781651800 /nfs/dbraw/zinc/65/18/00/781651800.db2.gz IUKGOOZSHGDQDS-HOTGVXAUSA-N 1 1 343.431 0.934 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3ncn(C)c3=O)C2)C1 ZINC001041505084 781651946 /nfs/dbraw/zinc/65/19/46/781651946.db2.gz FIRKMKKTTAZAQH-QGZVFWFLSA-N 1 1 333.436 0.472 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001077783521 781687467 /nfs/dbraw/zinc/68/74/67/781687467.db2.gz LAKYHZXSPBRLEB-HZPDHXFCSA-N 1 1 325.368 0.739 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cscn3)C2)c1 ZINC001077787404 781693374 /nfs/dbraw/zinc/69/33/74/781693374.db2.gz ZLNYIQPOIGHDKP-HZPDHXFCSA-N 1 1 342.424 0.919 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cscn3)C2)c1 ZINC001077787404 781693379 /nfs/dbraw/zinc/69/33/79/781693379.db2.gz ZLNYIQPOIGHDKP-HZPDHXFCSA-N 1 1 342.424 0.919 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001041538633 781725268 /nfs/dbraw/zinc/72/52/68/781725268.db2.gz ASSHQOPUQSCYHG-SFHVURJKSA-N 1 1 348.447 0.675 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C2CCOCC2)C1 ZINC001077813952 781746033 /nfs/dbraw/zinc/74/60/33/781746033.db2.gz LEZVXMUHPXUZDS-GDBMZVCRSA-N 1 1 334.420 0.586 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C2CCOCC2)C1 ZINC001077813952 781746039 /nfs/dbraw/zinc/74/60/39/781746039.db2.gz LEZVXMUHPXUZDS-GDBMZVCRSA-N 1 1 334.420 0.586 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)ccc1F ZINC001041612889 781852613 /nfs/dbraw/zinc/85/26/13/781852613.db2.gz CVUNGAMGEGBEPN-QGZVFWFLSA-N 1 1 330.363 0.607 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001040047655 783437133 /nfs/dbraw/zinc/43/71/33/783437133.db2.gz MTIYUOQOEMJHEB-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO CC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001037818559 783607365 /nfs/dbraw/zinc/60/73/65/783607365.db2.gz HTLMHSUZTNXCRL-AAEUAGOBSA-N 1 1 342.407 0.440 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1n1ccnn1 ZINC001070216425 783676437 /nfs/dbraw/zinc/67/64/37/783676437.db2.gz QVHHLMGNXHIMEA-CVEARBPZSA-N 1 1 342.447 0.129 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1n1ccnn1 ZINC001070247122 783735570 /nfs/dbraw/zinc/73/55/70/783735570.db2.gz CISIGUMZMBWRHS-KGLIPLIRSA-N 1 1 349.826 0.659 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@@H]1n1ccnn1 ZINC001070288116 783794025 /nfs/dbraw/zinc/79/40/25/783794025.db2.gz ANGGKZJEOPBXNR-ZACQAIPSSA-N 1 1 344.463 0.517 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001070301352 783805973 /nfs/dbraw/zinc/80/59/73/783805973.db2.gz YAZAIFQCUOUDKO-CVEARBPZSA-N 1 1 332.452 0.538 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2cccc(C#N)c2)C1 ZINC001038138636 783906391 /nfs/dbraw/zinc/90/63/91/783906391.db2.gz XHVYMASHVHJMMU-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2cccc(C#N)c2)C1 ZINC001038138636 783906395 /nfs/dbraw/zinc/90/63/95/783906395.db2.gz XHVYMASHVHJMMU-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)s2)C1 ZINC001038138433 783906528 /nfs/dbraw/zinc/90/65/28/783906528.db2.gz WHTBIGSRZPKEKY-IUODEOHRSA-N 1 1 334.445 0.641 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)s2)C1 ZINC001038138433 783906540 /nfs/dbraw/zinc/90/65/40/783906540.db2.gz WHTBIGSRZPKEKY-IUODEOHRSA-N 1 1 334.445 0.641 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)s2)C1 ZINC001038138431 783907395 /nfs/dbraw/zinc/90/73/95/783907395.db2.gz WHTBIGSRZPKEKY-DOMZBBRYSA-N 1 1 334.445 0.641 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(C#N)s2)C1 ZINC001038138431 783907400 /nfs/dbraw/zinc/90/74/00/783907400.db2.gz WHTBIGSRZPKEKY-DOMZBBRYSA-N 1 1 334.445 0.641 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001070386589 783932796 /nfs/dbraw/zinc/93/27/96/783932796.db2.gz ZXIMEVGFFAXWPS-BXWFABGCSA-N 1 1 341.411 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001070386589 783932801 /nfs/dbraw/zinc/93/28/01/783932801.db2.gz ZXIMEVGFFAXWPS-BXWFABGCSA-N 1 1 341.411 0.821 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C[C@H]2CCc3ncnn32)[nH]1 ZINC001038172027 783946895 /nfs/dbraw/zinc/94/68/95/783946895.db2.gz DYPHRZISZVRWEC-CHWSQXEVSA-N 1 1 325.376 0.469 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001070394738 783953552 /nfs/dbraw/zinc/95/35/52/783953552.db2.gz QFXUGQXOZFLFBX-NSHDSACASA-N 1 1 328.376 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(CC)c2)C1 ZINC001070401881 783972373 /nfs/dbraw/zinc/97/23/73/783972373.db2.gz WLBNEKLRZRNXMI-ZDUSSCGKSA-N 1 1 326.404 0.979 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nnn(C)c2C)C1 ZINC001070401527 783972517 /nfs/dbraw/zinc/97/25/17/783972517.db2.gz QGFPRXJLAOXZBI-ZDUSSCGKSA-N 1 1 341.419 0.589 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001070406507 783987847 /nfs/dbraw/zinc/98/78/47/783987847.db2.gz XBCAJAVEROWOTO-LBPRGKRZSA-N 1 1 345.403 0.997 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001070406596 783988878 /nfs/dbraw/zinc/98/88/78/783988878.db2.gz YZNQXFONLZUMBN-CYBMUJFWSA-N 1 1 331.420 0.480 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnnn2C)C1 ZINC001070408048 783992178 /nfs/dbraw/zinc/99/21/78/783992178.db2.gz LROJKJOCNSELID-GFCCVEGCSA-N 1 1 329.408 0.834 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ncn(C)n2)C1 ZINC001070408408 783993053 /nfs/dbraw/zinc/99/30/53/783993053.db2.gz QTOBGRKJQYLNPQ-LBPRGKRZSA-N 1 1 329.408 0.834 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001070409474 783996002 /nfs/dbraw/zinc/99/60/02/783996002.db2.gz FJMBDARAWPGTKD-STQMWFEESA-N 1 1 331.420 0.480 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001070412562 784004556 /nfs/dbraw/zinc/00/45/56/784004556.db2.gz DHAYNDXGWKYJHE-LBPRGKRZSA-N 1 1 342.403 0.409 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001070414096 784010857 /nfs/dbraw/zinc/01/08/57/784010857.db2.gz FHYWYIVYYNLWPV-KBPBESRZSA-N 1 1 343.431 0.365 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001070414510 784014472 /nfs/dbraw/zinc/01/44/72/784014472.db2.gz OJBTUAYPYVIJKG-UONOGXRCSA-N 1 1 345.447 0.870 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 ZINC001070414971 784015833 /nfs/dbraw/zinc/01/58/33/784015833.db2.gz VVWMHUGHLVTCHW-HIFRSBDPSA-N 1 1 330.436 0.823 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001070422901 784035777 /nfs/dbraw/zinc/03/57/77/784035777.db2.gz KZXGWAHGXQGEGU-LBPRGKRZSA-N 1 1 342.403 0.591 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001070424822 784040225 /nfs/dbraw/zinc/04/02/25/784040225.db2.gz UVYQWJOFFKRGRB-YUTCNCBUSA-N 1 1 331.420 0.513 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001070432315 784056572 /nfs/dbraw/zinc/05/65/72/784056572.db2.gz BPWLMPZHYYEXQS-ZDUSSCGKSA-N 1 1 339.399 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001070432315 784056579 /nfs/dbraw/zinc/05/65/79/784056579.db2.gz BPWLMPZHYYEXQS-ZDUSSCGKSA-N 1 1 339.399 0.759 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001070432413 784056906 /nfs/dbraw/zinc/05/69/06/784056906.db2.gz FRNOVRBAVKDALC-OCCSQVGLSA-N 1 1 329.404 0.117 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccn(C)n2)C1 ZINC001070433665 784059468 /nfs/dbraw/zinc/05/94/68/784059468.db2.gz AFZPSMIGPPGVFN-CYBMUJFWSA-N 1 1 326.404 0.886 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ncc[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442390 784085112 /nfs/dbraw/zinc/08/51/12/784085112.db2.gz GYCZGYZONKHAGF-LBPRGKRZSA-N 1 1 327.392 0.564 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1ncc[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070443116 784089370 /nfs/dbraw/zinc/08/93/70/784089370.db2.gz XSCFXPDBMMWICP-ZDUSSCGKSA-N 1 1 341.419 0.954 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916243 784108264 /nfs/dbraw/zinc/10/82/64/784108264.db2.gz GSLFJLXENGPRKP-GUTXKFCHSA-N 1 1 346.387 0.970 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916243 784108266 /nfs/dbraw/zinc/10/82/66/784108266.db2.gz GSLFJLXENGPRKP-GUTXKFCHSA-N 1 1 346.387 0.970 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451237 784113092 /nfs/dbraw/zinc/11/30/92/784113092.db2.gz WCOKRNWOLVFILJ-LSDHHAIUSA-N 1 1 344.463 0.479 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cn2cc(C)cn2)CC1 ZINC001070943149 784180823 /nfs/dbraw/zinc/18/08/23/784180823.db2.gz CMGGVBUPBDTSFA-UHFFFAOYSA-N 1 1 347.463 0.808 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)c2cncc(C#N)n2)CC1 ZINC001068727555 791006744 /nfs/dbraw/zinc/00/67/44/791006744.db2.gz RSUZARGKHMUZRW-BBRMVZONSA-N 1 1 342.447 0.973 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cccnc2)CC1 ZINC001070954903 784215770 /nfs/dbraw/zinc/21/57/70/784215770.db2.gz AOUNZKSYIZAWIU-UHFFFAOYSA-N 1 1 330.432 0.851 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nn2)CC1 ZINC001070961234 784236509 /nfs/dbraw/zinc/23/65/09/784236509.db2.gz OHKBVGPFSNYCBN-UHFFFAOYSA-N 1 1 334.424 0.045 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nn2)CC1 ZINC001070961234 784236516 /nfs/dbraw/zinc/23/65/16/784236516.db2.gz OHKBVGPFSNYCBN-UHFFFAOYSA-N 1 1 334.424 0.045 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)OC)C1 ZINC001070532211 784236969 /nfs/dbraw/zinc/23/69/69/784236969.db2.gz VTUNRGPLVSMYTC-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)OC)C1 ZINC001070532211 784236977 /nfs/dbraw/zinc/23/69/77/784236977.db2.gz VTUNRGPLVSMYTC-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1 ZINC001070533764 784238896 /nfs/dbraw/zinc/23/88/96/784238896.db2.gz PDUWMMDUWYPUED-OFQRWUPVSA-N 1 1 330.436 0.312 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(=O)NCC[N@H+](C[C@H]2CCOC2)CC1 ZINC001070962124 784239146 /nfs/dbraw/zinc/23/91/46/784239146.db2.gz JFJSFCNRPDGRJX-MRXNPFEDSA-N 1 1 333.432 0.087 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2nc(CC)c[nH]2)CC1 ZINC001070971854 784276835 /nfs/dbraw/zinc/27/68/35/784276835.db2.gz VETACZGTGQCHRC-UHFFFAOYSA-N 1 1 347.463 0.741 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2nc(CC)c[nH]2)CC1 ZINC001070971854 784276840 /nfs/dbraw/zinc/27/68/40/784276840.db2.gz VETACZGTGQCHRC-UHFFFAOYSA-N 1 1 347.463 0.741 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1 ZINC001070980286 784308235 /nfs/dbraw/zinc/30/82/35/784308235.db2.gz YZRYDVAGZLLVMU-UHFFFAOYSA-N 1 1 344.415 0.004 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1 ZINC001070980286 784308241 /nfs/dbraw/zinc/30/82/41/784308241.db2.gz YZRYDVAGZLLVMU-UHFFFAOYSA-N 1 1 344.415 0.004 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC001070986907 784330500 /nfs/dbraw/zinc/33/05/00/784330500.db2.gz IZRJUONRSVTFFH-UHFFFAOYSA-N 1 1 336.417 0.136 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC001070986907 784330506 /nfs/dbraw/zinc/33/05/06/784330506.db2.gz IZRJUONRSVTFFH-UHFFFAOYSA-N 1 1 336.417 0.136 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001071007847 784392703 /nfs/dbraw/zinc/39/27/03/784392703.db2.gz YNJNUYZCVRUWGJ-HNNXBMFYSA-N 1 1 347.463 0.815 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ncc[nH]2)n1 ZINC001070596790 784407888 /nfs/dbraw/zinc/40/78/88/784407888.db2.gz ZOXOSXZYSFAZPX-STQMWFEESA-N 1 1 328.376 0.581 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001070597429 784408499 /nfs/dbraw/zinc/40/84/99/784408499.db2.gz PRQVHHJQQMKHBN-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ccncn2)n1 ZINC001070599025 784411868 /nfs/dbraw/zinc/41/18/68/784411868.db2.gz CYICPEXTNSGEEF-KBPBESRZSA-N 1 1 340.387 0.648 20 30 ECEDMO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)C[NH+]3CCCC3)n2)N(CC#N)C1 ZINC001070599125 784412334 /nfs/dbraw/zinc/41/23/34/784412334.db2.gz JFDHFNFPSLMVME-GJZGRUSLSA-N 1 1 346.435 0.530 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC001071016558 784426250 /nfs/dbraw/zinc/42/62/50/784426250.db2.gz PFIYBCDJMIMLEY-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2ncc[nH]2)n1 ZINC001070605755 784426465 /nfs/dbraw/zinc/42/64/65/784426465.db2.gz ZVNNQOYZLZKQJG-UONOGXRCSA-N 1 1 342.403 0.510 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn3cc[nH]c23)CC1 ZINC001071017349 784430090 /nfs/dbraw/zinc/43/00/90/784430090.db2.gz UAVAIKRIFGFUBC-UHFFFAOYSA-N 1 1 344.419 0.503 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn3cc[nH]c23)CC1 ZINC001071017349 784430092 /nfs/dbraw/zinc/43/00/92/784430092.db2.gz UAVAIKRIFGFUBC-UHFFFAOYSA-N 1 1 344.419 0.503 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)n(C)n2)CC1 ZINC001071024498 784451951 /nfs/dbraw/zinc/45/19/51/784451951.db2.gz WOTGFLVYDSJVMY-UHFFFAOYSA-N 1 1 347.463 0.823 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)n(C)n2)CC1 ZINC001071024498 784451956 /nfs/dbraw/zinc/45/19/56/784451956.db2.gz WOTGFLVYDSJVMY-UHFFFAOYSA-N 1 1 347.463 0.823 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1c1cncn1C ZINC001070636507 784472048 /nfs/dbraw/zinc/47/20/48/784472048.db2.gz ADVZWYAVPKAMBA-CHWSQXEVSA-N 1 1 329.408 0.241 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1cncn1)C[C@H](C)O2 ZINC001071136687 784582104 /nfs/dbraw/zinc/58/21/04/784582104.db2.gz NSAUYORJCQPIAH-RDJZCZTQSA-N 1 1 331.420 0.383 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc(C)cn1)C[C@H](C)O2 ZINC001071138573 784584996 /nfs/dbraw/zinc/58/49/96/784584996.db2.gz HDGBGZRBFDRJQA-FUHWJXTLSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001070730770 784617678 /nfs/dbraw/zinc/61/76/78/784617678.db2.gz RUXKOFBGQNWRBM-IXDOHACOSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cncnc1)C[C@@H](C)O2 ZINC001071164271 784636416 /nfs/dbraw/zinc/63/64/16/784636416.db2.gz JTULLMQIPHSJHH-QAPCUYQASA-N 1 1 328.416 0.734 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@H+](CC(=O)N3CCC3)C2)O1 ZINC001071164395 784637886 /nfs/dbraw/zinc/63/78/86/784637886.db2.gz MJYITWOSBFNIHI-HNAYVOBHSA-N 1 1 345.443 0.324 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@@H+](CC(=O)N3CCC3)C2)O1 ZINC001071164395 784637890 /nfs/dbraw/zinc/63/78/90/784637890.db2.gz MJYITWOSBFNIHI-HNAYVOBHSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(CC)n1)C[C@H](C)O2 ZINC001071165220 784639110 /nfs/dbraw/zinc/63/91/10/784639110.db2.gz ZJPUAROGJZXSNP-YOEHRIQHSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C3CCC3)nn1)C[C@H](C)O2 ZINC001071168766 784646369 /nfs/dbraw/zinc/64/63/69/784646369.db2.gz HIFWOKHNBXJCAY-KBXCAEBGSA-N 1 1 343.431 0.942 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C3CCC3)nn1)C[C@H](C)O2 ZINC001071168766 784646371 /nfs/dbraw/zinc/64/63/71/784646371.db2.gz HIFWOKHNBXJCAY-KBXCAEBGSA-N 1 1 343.431 0.942 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3n1CCOC3)C[C@@H](C)O2 ZINC001071175965 784665361 /nfs/dbraw/zinc/66/53/61/784665361.db2.gz OFKYWEUUDPVFGF-RDTXWAMCSA-N 1 1 344.415 0.352 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@H](C)O2 ZINC001071178102 784670874 /nfs/dbraw/zinc/67/08/74/784670874.db2.gz KRMFQDDBQRRZGM-KBXCAEBGSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3n[nH]cc3c1)C[C@H](C)O2 ZINC001071178777 784674882 /nfs/dbraw/zinc/67/48/82/784674882.db2.gz WBEWMKJXIGUJPB-UGSOOPFHSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@H](C)O2 ZINC001071190351 784697997 /nfs/dbraw/zinc/69/79/97/784697997.db2.gz YCLIAQNFYIGUHE-KBXCAEBGSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)C[C@H](C)O2 ZINC001071190365 784698184 /nfs/dbraw/zinc/69/81/84/784698184.db2.gz YEXJDGPZDGASIY-KSSFIOAISA-N 1 1 344.415 0.604 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)C[C@H](C)O2 ZINC001071190365 784698185 /nfs/dbraw/zinc/69/81/85/784698185.db2.gz YEXJDGPZDGASIY-KSSFIOAISA-N 1 1 344.415 0.604 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cc(CC)nn1C)C[C@@H](C)O2 ZINC001071192142 784703726 /nfs/dbraw/zinc/70/37/26/784703726.db2.gz MDRJSDFPUSOWLH-BEFAXECRSA-N 1 1 344.459 0.850 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3nnnn3c1)C[C@@H](C)O2 ZINC001071193198 784705833 /nfs/dbraw/zinc/70/58/33/784705833.db2.gz XZWTUBUOHCSZKJ-CXAGYDPISA-N 1 1 340.387 0.063 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@H](C)O2 ZINC001071192949 784706250 /nfs/dbraw/zinc/70/62/50/784706250.db2.gz UREJIFOJVSGDSD-UGSOOPFHSA-N 1 1 347.415 0.875 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@H](C)O2 ZINC001071192949 784706257 /nfs/dbraw/zinc/70/62/57/784706257.db2.gz UREJIFOJVSGDSD-UGSOOPFHSA-N 1 1 347.415 0.875 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@H](C)O2 ZINC001071195140 784712158 /nfs/dbraw/zinc/71/21/58/784712158.db2.gz SFYMPARPKUFWDE-YOEHRIQHSA-N 1 1 331.420 0.166 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c(C)nn(C)c1C)C[C@@H](C)O2 ZINC001071195545 784713490 /nfs/dbraw/zinc/71/34/90/784713490.db2.gz ZGUJQRIEEHJNPC-AUUYWEPGSA-N 1 1 344.459 0.904 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1nc(C)no1)C[C@@H](C)O2 ZINC001071196771 784714886 /nfs/dbraw/zinc/71/48/86/784714886.db2.gz IAYMNEFPPXMXQZ-DYVFJYSZSA-N 1 1 332.404 0.636 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)C[C@H](C)O2 ZINC001071199695 784721241 /nfs/dbraw/zinc/72/12/41/784721241.db2.gz OVIBVTGNKDXMBL-GUYCJALGSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@H](C)O2 ZINC001071201870 784724413 /nfs/dbraw/zinc/72/44/13/784724413.db2.gz MDSPGRLQOILXHP-YVEFUNNKSA-N 1 1 332.404 0.982 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccoc1CC(N)=O)C[C@@H](C)O2 ZINC001071203511 784726763 /nfs/dbraw/zinc/72/67/63/784726763.db2.gz CJNPVZKKBJVSIG-FZKQIMNGSA-N 1 1 347.415 0.799 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CC=C)C3)C2)nn1 ZINC001071215752 784754408 /nfs/dbraw/zinc/75/44/08/784754408.db2.gz GQJJDQJZNUONNS-WMLDXEAASA-N 1 1 331.420 0.956 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)C[C@@H](C)O2 ZINC001071218314 784761701 /nfs/dbraw/zinc/76/17/01/784761701.db2.gz LRRGMGGLJBCEAP-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)C[C@H](C)O2 ZINC001071219935 784766265 /nfs/dbraw/zinc/76/62/65/784766265.db2.gz AJFMIQWPTSBYAA-SUMWQHHRSA-N 1 1 342.403 0.616 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CCC)nn1)C[C@H](C)O2 ZINC001071225206 784780348 /nfs/dbraw/zinc/78/03/48/784780348.db2.gz HFLHKRJLDUSHRB-YOEHRIQHSA-N 1 1 331.420 0.627 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CCC)nn1)C[C@H](C)O2 ZINC001071225206 784780355 /nfs/dbraw/zinc/78/03/55/784780355.db2.gz HFLHKRJLDUSHRB-YOEHRIQHSA-N 1 1 331.420 0.627 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cncn1C)C[C@H](C)O2 ZINC001071226168 784784034 /nfs/dbraw/zinc/78/40/34/784784034.db2.gz VMOAICNNPDFIGP-MAUKXSAKSA-N 1 1 330.432 0.678 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@H](C)O2 ZINC001071231189 784795025 /nfs/dbraw/zinc/79/50/25/784795025.db2.gz OGDJYJOOUBQDBO-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@H](C)O2 ZINC001071236108 784802074 /nfs/dbraw/zinc/80/20/74/784802074.db2.gz PWRWZYCNLRINOA-SUMWQHHRSA-N 1 1 327.388 0.601 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@H](C)O2 ZINC001071236108 784802078 /nfs/dbraw/zinc/80/20/78/784802078.db2.gz PWRWZYCNLRINOA-SUMWQHHRSA-N 1 1 327.388 0.601 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(=O)Nc1cc(C)on1)C[C@@H](C)O2 ZINC001071237645 784805889 /nfs/dbraw/zinc/80/58/89/784805889.db2.gz AXFQSBXEODBMDE-DYVFJYSZSA-N 1 1 346.387 0.247 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCCCC1=O)C[C@H](C)O2 ZINC001071238534 784808030 /nfs/dbraw/zinc/80/80/30/784808030.db2.gz NVMMMWLWQNUZIC-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070901200 784809506 /nfs/dbraw/zinc/80/95/06/784809506.db2.gz OCJLSDURPCMBLG-HUUCEWRRSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070901200 784809511 /nfs/dbraw/zinc/80/95/11/784809511.db2.gz OCJLSDURPCMBLG-HUUCEWRRSA-N 1 1 339.436 0.017 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@@H](C)O2 ZINC001071244225 784822187 /nfs/dbraw/zinc/82/21/87/784822187.db2.gz RGCVUAALKFXJHY-RDTXWAMCSA-N 1 1 346.431 0.053 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071244554 784823128 /nfs/dbraw/zinc/82/31/28/784823128.db2.gz WTSCUOMMFZSMOF-ACJLOTCBSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@H](C)O2 ZINC001071248463 784830905 /nfs/dbraw/zinc/83/09/05/784830905.db2.gz LYKLJJBQENFQKQ-MAUKXSAKSA-N 1 1 345.447 0.463 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cnns3)C2)C(=O)C1 ZINC001071255247 784850733 /nfs/dbraw/zinc/85/07/33/784850733.db2.gz JFGZMIHKDPOGOA-CYBMUJFWSA-N 1 1 349.460 0.863 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cnns3)C2)C(=O)C1 ZINC001071255247 784850737 /nfs/dbraw/zinc/85/07/37/784850737.db2.gz JFGZMIHKDPOGOA-CYBMUJFWSA-N 1 1 349.460 0.863 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H](N2CC[N@H+](CC3CC3)CC2=O)C1 ZINC001071264098 784882656 /nfs/dbraw/zinc/88/26/56/784882656.db2.gz NKIRZUZLSKRUDC-QGZVFWFLSA-N 1 1 329.444 0.945 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H](N2CC[N@@H+](CC3CC3)CC2=O)C1 ZINC001071264098 784882660 /nfs/dbraw/zinc/88/26/60/784882660.db2.gz NKIRZUZLSKRUDC-QGZVFWFLSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 ZINC001071275472 784915425 /nfs/dbraw/zinc/91/54/25/784915425.db2.gz HNARMAVNVOCTBH-CYBMUJFWSA-N 1 1 332.408 0.130 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 ZINC001071275472 784915432 /nfs/dbraw/zinc/91/54/32/784915432.db2.gz HNARMAVNVOCTBH-CYBMUJFWSA-N 1 1 332.408 0.130 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071414245 785061758 /nfs/dbraw/zinc/06/17/58/785061758.db2.gz RHRUNYPHJFSWHN-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CC(=O)NC1CC1 ZINC001071414245 785061761 /nfs/dbraw/zinc/06/17/61/785061761.db2.gz RHRUNYPHJFSWHN-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001068757320 791079606 /nfs/dbraw/zinc/07/96/06/791079606.db2.gz RQBQFRBHDNPUJU-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC[C@H]1C ZINC001071509000 785216841 /nfs/dbraw/zinc/21/68/41/785216841.db2.gz WFVHVPFKZXERFL-KGLIPLIRSA-N 1 1 333.432 0.764 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001071879940 785263037 /nfs/dbraw/zinc/26/30/37/785263037.db2.gz MNZQCAAVWBYXGW-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001071879940 785263043 /nfs/dbraw/zinc/26/30/43/785263043.db2.gz MNZQCAAVWBYXGW-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001068763933 791096319 /nfs/dbraw/zinc/09/63/19/791096319.db2.gz FYOSGTZXGOHKQR-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001071890745 785278938 /nfs/dbraw/zinc/27/89/38/785278938.db2.gz RDSUDTDTJCQIAP-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001071890745 785278944 /nfs/dbraw/zinc/27/89/44/785278944.db2.gz RDSUDTDTJCQIAP-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1C ZINC001071549409 785286391 /nfs/dbraw/zinc/28/63/91/785286391.db2.gz QJUJRPRDKJCEIT-UONOGXRCSA-N 1 1 334.420 0.092 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC[C@@H]1C ZINC001071896312 785288837 /nfs/dbraw/zinc/28/88/37/785288837.db2.gz FRGUGVJYWXXICB-QWHCGFSZSA-N 1 1 327.388 0.547 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001071918846 785333398 /nfs/dbraw/zinc/33/33/98/785333398.db2.gz TYDAOUHYDZIUPY-WFASDCNBSA-N 1 1 331.420 0.805 20 30 ECEDMO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071922892 785342368 /nfs/dbraw/zinc/34/23/68/785342368.db2.gz ZCRGOJJRZONZNH-LRDDRELGSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001068767250 791104171 /nfs/dbraw/zinc/10/41/71/791104171.db2.gz OXYJNRWQRHJTIQ-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC[C@@H]1C ZINC001071631518 785419410 /nfs/dbraw/zinc/41/94/10/785419410.db2.gz NWKFEFHSIWQFRD-STQMWFEESA-N 1 1 328.376 0.535 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@@H]1C ZINC001071968629 785438374 /nfs/dbraw/zinc/43/83/74/785438374.db2.gz WHIBPDQYOLXQHG-GJZGRUSLSA-N 1 1 347.463 0.926 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@H]1C ZINC001071667102 785485014 /nfs/dbraw/zinc/48/50/14/785485014.db2.gz UEEQIXKOJQYKBX-HUUCEWRRSA-N 1 1 346.431 0.496 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C ZINC001071989057 785485269 /nfs/dbraw/zinc/48/52/69/785485269.db2.gz NKCKPCQOLCNSDF-RYUDHWBXSA-N 1 1 330.392 0.576 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001072000838 785506998 /nfs/dbraw/zinc/50/69/98/785506998.db2.gz XQIXEUGMVYFPEE-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001072335431 786041009 /nfs/dbraw/zinc/04/10/09/786041009.db2.gz DCDHADKMVYBJFT-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001072336093 786041569 /nfs/dbraw/zinc/04/15/69/786041569.db2.gz IUDOAMKJEBVYRT-ZFWWWQNUSA-N 1 1 334.420 0.747 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001072479392 786248175 /nfs/dbraw/zinc/24/81/75/786248175.db2.gz WOTNFJSNHSHLFG-STQMWFEESA-N 1 1 326.466 0.548 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@H]21 ZINC001074224916 786463624 /nfs/dbraw/zinc/46/36/24/786463624.db2.gz AJMHBARHWNLFPU-IAGOWNOFSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@H]21 ZINC001074224916 786463627 /nfs/dbraw/zinc/46/36/27/786463627.db2.gz AJMHBARHWNLFPU-IAGOWNOFSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@H]21 ZINC001074271580 786558276 /nfs/dbraw/zinc/55/82/76/786558276.db2.gz OKDSPIRWBUBCLE-HZPDHXFCSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@H]21 ZINC001074271580 786558283 /nfs/dbraw/zinc/55/82/83/786558283.db2.gz OKDSPIRWBUBCLE-HZPDHXFCSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001074274172 786563783 /nfs/dbraw/zinc/56/37/83/786563783.db2.gz RVBIISKZARTXLG-GJZGRUSLSA-N 1 1 346.431 0.878 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001074274172 786563791 /nfs/dbraw/zinc/56/37/91/786563791.db2.gz RVBIISKZARTXLG-GJZGRUSLSA-N 1 1 346.431 0.878 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)CCCO2)[nH]1 ZINC001073574354 786653103 /nfs/dbraw/zinc/65/31/03/786653103.db2.gz PUQXEBCXUWEGOS-OAHLLOKOSA-N 1 1 342.403 0.604 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 ZINC001074322334 786671999 /nfs/dbraw/zinc/67/19/99/786671999.db2.gz SVIAGROKPJVDSM-HZPDHXFCSA-N 1 1 334.420 0.677 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 ZINC001074322334 786672006 /nfs/dbraw/zinc/67/20/06/786672006.db2.gz SVIAGROKPJVDSM-HZPDHXFCSA-N 1 1 334.420 0.677 20 30 ECEDMO CC(C)C#CC(=O)N1CC(N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001073579758 786672817 /nfs/dbraw/zinc/67/28/17/786672817.db2.gz ZYUZTNQIHOFLPO-UHFFFAOYSA-N 1 1 348.491 0.341 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 ZINC001074325086 786677802 /nfs/dbraw/zinc/67/78/02/786677802.db2.gz VRFGLNCIIKZBLS-CABCVRRESA-N 1 1 332.404 0.651 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 ZINC001074325086 786677803 /nfs/dbraw/zinc/67/78/03/786677803.db2.gz VRFGLNCIIKZBLS-CABCVRRESA-N 1 1 332.404 0.651 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001073605473 786760675 /nfs/dbraw/zinc/76/06/75/786760675.db2.gz LNBLPPMJUCFLRB-KSZLIROESA-N 1 1 343.427 1.000 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001073605473 786760678 /nfs/dbraw/zinc/76/06/78/786760678.db2.gz LNBLPPMJUCFLRB-KSZLIROESA-N 1 1 343.427 1.000 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 ZINC001074369528 786777861 /nfs/dbraw/zinc/77/78/61/786777861.db2.gz XSAFEIJLHKQFAW-HUUCEWRRSA-N 1 1 334.424 0.331 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 ZINC001074369528 786777863 /nfs/dbraw/zinc/77/78/63/786777863.db2.gz XSAFEIJLHKQFAW-HUUCEWRRSA-N 1 1 334.424 0.331 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3c2cccc3OC)C1 ZINC001073627171 786805213 /nfs/dbraw/zinc/80/52/13/786805213.db2.gz GHBGGZLIDWRKOL-AWEZNQCLSA-N 1 1 342.399 0.797 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3c2cccc3OC)C1 ZINC001073627171 786805219 /nfs/dbraw/zinc/80/52/19/786805219.db2.gz GHBGGZLIDWRKOL-AWEZNQCLSA-N 1 1 342.399 0.797 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001073636793 786836146 /nfs/dbraw/zinc/83/61/46/786836146.db2.gz HUIAJWSLCPAOIQ-GDBMZVCRSA-N 1 1 346.431 0.383 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001073636793 786836155 /nfs/dbraw/zinc/83/61/55/786836155.db2.gz HUIAJWSLCPAOIQ-GDBMZVCRSA-N 1 1 346.431 0.383 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001073640063 786846001 /nfs/dbraw/zinc/84/60/01/786846001.db2.gz SPVIHGRVPLUBIW-GFCCVEGCSA-N 1 1 328.372 0.722 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001073640063 786846014 /nfs/dbraw/zinc/84/60/14/786846014.db2.gz SPVIHGRVPLUBIW-GFCCVEGCSA-N 1 1 328.372 0.722 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001073647718 786867462 /nfs/dbraw/zinc/86/74/62/786867462.db2.gz MSSVTCZHUMCVPP-LBPRGKRZSA-N 1 1 342.321 0.949 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001073647718 786867475 /nfs/dbraw/zinc/86/74/75/786867475.db2.gz MSSVTCZHUMCVPP-LBPRGKRZSA-N 1 1 342.321 0.949 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001073664863 786912666 /nfs/dbraw/zinc/91/26/66/786912666.db2.gz QRCBUFHZTGTJPD-NVXWUHKLSA-N 1 1 330.432 0.676 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001073667265 786916485 /nfs/dbraw/zinc/91/64/85/786916485.db2.gz ASWSXCDEHMCXJD-ZIAGYGMSSA-N 1 1 349.435 0.329 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001073667471 786917646 /nfs/dbraw/zinc/91/76/46/786917646.db2.gz HAEUZFRSLFMKQT-JKSUJKDBSA-N 1 1 330.432 0.676 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001073681178 786956942 /nfs/dbraw/zinc/95/69/42/786956942.db2.gz FOZKLOSYKOMHHH-CQSZACIVSA-N 1 1 334.420 0.521 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001073684106 786965687 /nfs/dbraw/zinc/96/56/87/786965687.db2.gz IIHWTXORFRVDKY-IAGOWNOFSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001073684447 786966057 /nfs/dbraw/zinc/96/60/57/786966057.db2.gz QSPCOFXZTDCKNL-GOSISDBHSA-N 1 1 343.427 0.777 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001073684447 786966062 /nfs/dbraw/zinc/96/60/62/786966062.db2.gz QSPCOFXZTDCKNL-GOSISDBHSA-N 1 1 343.427 0.777 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001073696267 786987721 /nfs/dbraw/zinc/98/77/21/786987721.db2.gz FXDAKCNBYOWQND-CQSZACIVSA-N 1 1 342.403 0.207 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 ZINC001073697090 786990662 /nfs/dbraw/zinc/99/06/62/786990662.db2.gz YONVNGVCVKWZLD-CYBMUJFWSA-N 1 1 334.372 0.492 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001073710358 787020177 /nfs/dbraw/zinc/02/01/77/787020177.db2.gz YJSFQDQTZVZLHJ-HOTGVXAUSA-N 1 1 347.463 0.932 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001073713290 787030956 /nfs/dbraw/zinc/03/09/56/787030956.db2.gz YFSBXXLRGLSADN-HRCADAONSA-N 1 1 339.436 0.015 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)cc1 ZINC001073723317 787062489 /nfs/dbraw/zinc/06/24/89/787062489.db2.gz GJHAQQHCHFWPSD-SJORKVTESA-N 1 1 341.411 0.377 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)cc1 ZINC001073723317 787062499 /nfs/dbraw/zinc/06/24/99/787062499.db2.gz GJHAQQHCHFWPSD-SJORKVTESA-N 1 1 341.411 0.377 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001073741149 787095548 /nfs/dbraw/zinc/09/55/48/787095548.db2.gz PFINVCYFABPWFM-GDBMZVCRSA-N 1 1 332.448 0.918 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001073741553 787097127 /nfs/dbraw/zinc/09/71/27/787097127.db2.gz VRNLVAKUNGVTKY-GOEBONIOSA-N 1 1 330.432 0.365 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001073741553 787097141 /nfs/dbraw/zinc/09/71/41/787097141.db2.gz VRNLVAKUNGVTKY-GOEBONIOSA-N 1 1 330.432 0.365 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001073741730 787098568 /nfs/dbraw/zinc/09/85/68/787098568.db2.gz WPZZRILVFWAKME-UKRRQHHQSA-N 1 1 332.404 0.715 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001073741730 787098579 /nfs/dbraw/zinc/09/85/79/787098579.db2.gz WPZZRILVFWAKME-UKRRQHHQSA-N 1 1 332.404 0.715 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 ZINC001073743303 787101422 /nfs/dbraw/zinc/10/14/22/787101422.db2.gz SAFNTECQKVWEST-ZDUSSCGKSA-N 1 1 335.404 0.704 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074510520 787128002 /nfs/dbraw/zinc/12/80/02/787128002.db2.gz HHLLMHQGLOWLQI-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(CCC(C)C)nn2)C1 ZINC001073757501 787139151 /nfs/dbraw/zinc/13/91/51/787139151.db2.gz FKMYPDMJPPWVJD-OAHLLOKOSA-N 1 1 333.436 0.778 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(CCC(C)C)nn2)C1 ZINC001073757501 787139155 /nfs/dbraw/zinc/13/91/55/787139155.db2.gz FKMYPDMJPPWVJD-OAHLLOKOSA-N 1 1 333.436 0.778 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001073762650 787151070 /nfs/dbraw/zinc/15/10/70/787151070.db2.gz IXMLLMBEJJCDDE-HNNXBMFYSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001073762650 787151076 /nfs/dbraw/zinc/15/10/76/787151076.db2.gz IXMLLMBEJJCDDE-HNNXBMFYSA-N 1 1 339.399 0.721 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+]([C@H](C)COC)CCCO2)c1 ZINC001073762912 787152608 /nfs/dbraw/zinc/15/26/08/787152608.db2.gz PXBFGIYBPYIXNE-PBHICJAKSA-N 1 1 331.416 0.919 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001073764877 787157482 /nfs/dbraw/zinc/15/74/82/787157482.db2.gz MPHJTVXYNDOARV-WMZOPIPTSA-N 1 1 344.459 0.984 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001073765768 787159362 /nfs/dbraw/zinc/15/93/62/787159362.db2.gz XGXKHKXWRDULDB-AWEZNQCLSA-N 1 1 348.447 0.530 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)nn1 ZINC001073807404 787238637 /nfs/dbraw/zinc/23/86/37/787238637.db2.gz OFMPDOJBRWJELB-CABCVRRESA-N 1 1 349.435 0.321 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001073815467 787250520 /nfs/dbraw/zinc/25/05/20/787250520.db2.gz BKJLLGJXXQBRRC-AWEZNQCLSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001073815467 787250525 /nfs/dbraw/zinc/25/05/25/787250525.db2.gz BKJLLGJXXQBRRC-AWEZNQCLSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074565742 787272374 /nfs/dbraw/zinc/27/23/74/787272374.db2.gz SRGNNMPNZVXPSZ-HZPDHXFCSA-N 1 1 349.475 0.600 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001074579501 787310083 /nfs/dbraw/zinc/31/00/83/787310083.db2.gz KDYDAOUHJXPROD-OAHLLOKOSA-N 1 1 335.448 0.067 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001074579454 787310220 /nfs/dbraw/zinc/31/02/20/787310220.db2.gz ILCLRBPUFFBIQK-INIZCTEOSA-N 1 1 349.475 0.600 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001073847677 787347370 /nfs/dbraw/zinc/34/73/70/787347370.db2.gz HCMCNEKXINMYCN-HUUCEWRRSA-N 1 1 347.419 0.084 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001073847677 787347378 /nfs/dbraw/zinc/34/73/78/787347378.db2.gz HCMCNEKXINMYCN-HUUCEWRRSA-N 1 1 347.419 0.084 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001074594135 787353448 /nfs/dbraw/zinc/35/34/48/787353448.db2.gz MORVTLIWLWPBJC-UHFFFAOYSA-N 1 1 346.431 0.465 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001073851223 787362037 /nfs/dbraw/zinc/36/20/37/787362037.db2.gz YDSOMWOFEMXOGP-HNNXBMFYSA-N 1 1 349.431 0.850 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(OC)cc[nH]c2=O)C1 ZINC001073862347 787389692 /nfs/dbraw/zinc/38/96/92/787389692.db2.gz QQQNBGIDSCWVSW-ZDUSSCGKSA-N 1 1 333.388 0.640 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001073862729 787390902 /nfs/dbraw/zinc/39/09/02/787390902.db2.gz XVFYZQVBBITMBG-OAHLLOKOSA-N 1 1 346.431 0.838 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C[C@@H](C)OC)CCCO2)nc1 ZINC001073863507 787394310 /nfs/dbraw/zinc/39/43/10/787394310.db2.gz SKFHSKWNRUIPGB-ZBFHGGJFSA-N 1 1 331.416 0.919 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001073866275 787401812 /nfs/dbraw/zinc/40/18/12/787401812.db2.gz VWTNSQMQJBFASW-CYBMUJFWSA-N 1 1 340.383 0.789 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001073866275 787401820 /nfs/dbraw/zinc/40/18/20/787401820.db2.gz VWTNSQMQJBFASW-CYBMUJFWSA-N 1 1 340.383 0.789 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001073871979 787410870 /nfs/dbraw/zinc/41/08/70/787410870.db2.gz NFXUVKSVKMNUGB-JKSUJKDBSA-N 1 1 339.436 0.017 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1)C1CCC1 ZINC001074622139 787425969 /nfs/dbraw/zinc/42/59/69/787425969.db2.gz XZHVKVLRZJLENF-UHFFFAOYSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001073886833 787438749 /nfs/dbraw/zinc/43/87/49/787438749.db2.gz YROKRBCMSPEALY-OAHLLOKOSA-N 1 1 338.452 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001073895762 787463143 /nfs/dbraw/zinc/46/31/43/787463143.db2.gz AYDOVGIUBALODT-IRXDYDNUSA-N 1 1 339.480 0.880 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074635002 787464235 /nfs/dbraw/zinc/46/42/35/787464235.db2.gz UQZFGWHBMOXENF-MRXNPFEDSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001073896586 787466025 /nfs/dbraw/zinc/46/60/25/787466025.db2.gz VSXPILBXFGGXFU-UONOGXRCSA-N 1 1 330.450 0.347 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001073896586 787466030 /nfs/dbraw/zinc/46/60/30/787466030.db2.gz VSXPILBXFGGXFU-UONOGXRCSA-N 1 1 330.450 0.347 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001073896584 787466219 /nfs/dbraw/zinc/46/62/19/787466219.db2.gz VSXPILBXFGGXFU-KBPBESRZSA-N 1 1 330.450 0.347 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001073896584 787466222 /nfs/dbraw/zinc/46/62/22/787466222.db2.gz VSXPILBXFGGXFU-KBPBESRZSA-N 1 1 330.450 0.347 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001073908477 787496136 /nfs/dbraw/zinc/49/61/36/787496136.db2.gz MKKCLOMQGGRAJK-OAHLLOKOSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001073908477 787496141 /nfs/dbraw/zinc/49/61/41/787496141.db2.gz MKKCLOMQGGRAJK-OAHLLOKOSA-N 1 1 340.387 0.116 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001073911270 787508219 /nfs/dbraw/zinc/50/82/19/787508219.db2.gz LLSHCMKFJJKKLR-HNNXBMFYSA-N 1 1 346.431 0.967 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001074662460 787535466 /nfs/dbraw/zinc/53/54/66/787535466.db2.gz WBFAGSJOOVRUCE-UHFFFAOYSA-N 1 1 348.447 0.873 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001073940502 787554372 /nfs/dbraw/zinc/55/43/72/787554372.db2.gz GLBTXGQIZZDIRN-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001073959780 787586663 /nfs/dbraw/zinc/58/66/63/787586663.db2.gz HTYQMGWRWNNSMI-WBVHZDCISA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001074698317 787630711 /nfs/dbraw/zinc/63/07/11/787630711.db2.gz UHTIHHQYHLPIRC-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001074016768 787685733 /nfs/dbraw/zinc/68/57/33/787685733.db2.gz JKDBNJPAFREXAZ-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)C[C@H]1C ZINC001074089336 787853175 /nfs/dbraw/zinc/85/31/75/787853175.db2.gz CFRDZXLITPSPOY-ZIAGYGMSSA-N 1 1 340.493 0.938 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CCCCO4)C3)C2)C1=O ZINC001072627837 788467244 /nfs/dbraw/zinc/46/72/44/788467244.db2.gz BBIDGLFDOPEIAI-JKSUJKDBSA-N 1 1 347.459 0.877 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1)C1CC1 ZINC001072632779 788473111 /nfs/dbraw/zinc/47/31/11/788473111.db2.gz CKZSLTXILXZGKV-UHFFFAOYSA-N 1 1 341.415 0.655 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H](OC)C4CC4)C3)C2)C1=O ZINC001072687478 788596476 /nfs/dbraw/zinc/59/64/76/788596476.db2.gz XHXXHSBVSMIHNJ-JKSUJKDBSA-N 1 1 347.459 0.733 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001072721605 788648270 /nfs/dbraw/zinc/64/82/70/788648270.db2.gz ZOIYGGGKLUOECC-OAHLLOKOSA-N 1 1 336.457 0.369 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001072721605 788648273 /nfs/dbraw/zinc/64/82/73/788648273.db2.gz ZOIYGGGKLUOECC-OAHLLOKOSA-N 1 1 336.457 0.369 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001074974754 788649845 /nfs/dbraw/zinc/64/98/45/788649845.db2.gz IUTYUQZPLGFLMP-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001072737301 788674271 /nfs/dbraw/zinc/67/42/71/788674271.db2.gz RAOZKITXKGGAAS-STQMWFEESA-N 1 1 326.466 0.548 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cc([C@@H]4CCCN4C)[nH]n3)C2)C1 ZINC001072757533 788730871 /nfs/dbraw/zinc/73/08/71/788730871.db2.gz MDUNGJZUTLNUOZ-INIZCTEOSA-N 1 1 327.432 0.958 20 30 ECEDMO C#CC[N@H+]1CCC2(CN(C(=O)c3cc([C@@H]4CCCN4C)n[nH]3)C2)C1 ZINC001072757533 788730875 /nfs/dbraw/zinc/73/08/75/788730875.db2.gz MDUNGJZUTLNUOZ-INIZCTEOSA-N 1 1 327.432 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cc([C@@H]4CCCN4C)n[nH]3)C2)C1 ZINC001072757533 788730879 /nfs/dbraw/zinc/73/08/79/788730879.db2.gz MDUNGJZUTLNUOZ-INIZCTEOSA-N 1 1 327.432 0.958 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC3(C2)CCN(CC#N)C3)n[nH]1 ZINC001072757460 788730965 /nfs/dbraw/zinc/73/09/65/788730965.db2.gz JMRHAYFPDZRPGF-OAHLLOKOSA-N 1 1 328.420 0.848 20 30 ECEDMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC3(C2)CCN(CC#N)C3)n[nH]1 ZINC001072757460 788730970 /nfs/dbraw/zinc/73/09/70/788730970.db2.gz JMRHAYFPDZRPGF-OAHLLOKOSA-N 1 1 328.420 0.848 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnnn3C)[C@@H]2C)nc1 ZINC001075049777 788799656 /nfs/dbraw/zinc/79/96/56/788799656.db2.gz KBPSVWQHGMKMHR-OBJOEFQTSA-N 1 1 339.403 0.540 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072814519 788871344 /nfs/dbraw/zinc/87/13/44/788871344.db2.gz HSDKRKYMCVMLHU-AWEZNQCLSA-N 1 1 328.416 0.711 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H]3CCOC3)[C@@H]2C)CC1 ZINC001075128884 788947283 /nfs/dbraw/zinc/94/72/83/788947283.db2.gz BMDZCCRLPPBKJA-BQFCYCMXSA-N 1 1 333.476 0.947 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C2)C1 ZINC001072881240 789012834 /nfs/dbraw/zinc/01/28/34/789012834.db2.gz KZBCZSTZRLXSMJ-UHFFFAOYSA-N 1 1 325.372 0.835 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CNC(=O)N4)C3)C2)cc1 ZINC001072931236 789129691 /nfs/dbraw/zinc/12/96/91/789129691.db2.gz AKPCHEWXHJELEJ-HNNXBMFYSA-N 1 1 339.399 0.274 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075264042 789134215 /nfs/dbraw/zinc/13/42/15/789134215.db2.gz XTYIRTZKTPHCAI-VXGBXAGGSA-N 1 1 342.407 0.298 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](CCN2C(=O)CNC2=O)C3)C1 ZINC001072966679 789178067 /nfs/dbraw/zinc/17/80/67/789178067.db2.gz GPEKMNDVDIEMJI-UHFFFAOYSA-N 1 1 346.431 0.429 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+]([C@H](CC)C(N)=O)C3)c1 ZINC001072968681 789180844 /nfs/dbraw/zinc/18/08/44/789180844.db2.gz XKLINYMTMQINCR-OAHLLOKOSA-N 1 1 326.400 0.475 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001073025711 789295636 /nfs/dbraw/zinc/29/56/36/789295636.db2.gz UEBSNQWZGWKLAZ-INIZCTEOSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001073027117 789299656 /nfs/dbraw/zinc/29/96/56/789299656.db2.gz DDGQVGAAMRFJGU-GJZGRUSLSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnc(C)cn1 ZINC001075480456 789399881 /nfs/dbraw/zinc/39/98/81/789399881.db2.gz JPHDPSGVAMVXPX-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnc(C)cn1 ZINC001075480456 789399890 /nfs/dbraw/zinc/39/98/90/789399890.db2.gz JPHDPSGVAMVXPX-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 ZINC001073121700 789477597 /nfs/dbraw/zinc/47/75/97/789477597.db2.gz IMENAYRZFYNJLB-GJZGRUSLSA-N 1 1 330.432 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 ZINC001073121700 789477602 /nfs/dbraw/zinc/47/76/02/789477602.db2.gz IMENAYRZFYNJLB-GJZGRUSLSA-N 1 1 330.432 0.741 20 30 ECEDMO CC#CC[N@@H+]1CCC2(CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC001073124594 789480570 /nfs/dbraw/zinc/48/05/70/789480570.db2.gz USSXEAJPSLCSTL-UHFFFAOYSA-N 1 1 332.360 0.068 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CCn2cncn2)C3)cn1 ZINC001073135474 789507519 /nfs/dbraw/zinc/50/75/19/789507519.db2.gz HHGXHYLYGSCKAC-UHFFFAOYSA-N 1 1 336.399 0.503 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCN(C)C2=O)C3)nc1 ZINC001073137628 789511465 /nfs/dbraw/zinc/51/14/65/789511465.db2.gz BXWDIFCMLJWOMR-INIZCTEOSA-N 1 1 338.411 0.442 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 ZINC001073158068 789547516 /nfs/dbraw/zinc/54/75/16/789547516.db2.gz KLIUVCOAPPYULH-UHFFFAOYSA-N 1 1 339.827 0.177 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 ZINC001073158068 789547520 /nfs/dbraw/zinc/54/75/20/789547520.db2.gz KLIUVCOAPPYULH-UHFFFAOYSA-N 1 1 339.827 0.177 20 30 ECEDMO O=C([C@H]1CCC(=O)N1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075617484 789575581 /nfs/dbraw/zinc/57/55/81/789575581.db2.gz MMWFUFGTQIKQHN-RCCFBDPRSA-N 1 1 337.423 0.849 20 30 ECEDMO O=C([C@H]1CCC(=O)N1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075617484 789575588 /nfs/dbraw/zinc/57/55/88/789575588.db2.gz MMWFUFGTQIKQHN-RCCFBDPRSA-N 1 1 337.423 0.849 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)c1 ZINC001075617286 789575992 /nfs/dbraw/zinc/57/59/92/789575992.db2.gz CMARUXSSWZIZLQ-GVDBMIGSSA-N 1 1 338.411 0.870 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4ccon4)[C@@H]3C2)C1=O ZINC001075633834 789598619 /nfs/dbraw/zinc/59/86/19/789598619.db2.gz OSBVELVMQIVDEH-CWRNSKLLSA-N 1 1 344.415 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CCOC)C(C)(C)C1 ZINC001073282731 789699336 /nfs/dbraw/zinc/69/93/36/789699336.db2.gz AQBNXSAZSJSQIP-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CCOC)C(C)(C)C1 ZINC001073282731 789699341 /nfs/dbraw/zinc/69/93/41/789699341.db2.gz AQBNXSAZSJSQIP-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO CCC1(NC(=O)C#CC(C)C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001069273022 789724723 /nfs/dbraw/zinc/72/47/23/789724723.db2.gz NTZJAFMBAADSCX-MRXNPFEDSA-N 1 1 349.475 0.864 20 30 ECEDMO CCC1(NC(=O)C#CC(C)C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001069273022 789724725 /nfs/dbraw/zinc/72/47/25/789724725.db2.gz NTZJAFMBAADSCX-MRXNPFEDSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001073379103 789772983 /nfs/dbraw/zinc/77/29/83/789772983.db2.gz UINULJRNLHSQAT-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001073379103 789772989 /nfs/dbraw/zinc/77/29/89/789772989.db2.gz UINULJRNLHSQAT-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001073392928 789784495 /nfs/dbraw/zinc/78/44/95/789784495.db2.gz AZKLBLOGWAXHPP-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccc(-n4cnnn4)cc3)C2)C1 ZINC001073410585 789799915 /nfs/dbraw/zinc/79/99/15/789799915.db2.gz GJCBBRYSJJGRHH-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO CC#CC[N@@H+]1CCC2(CN(C(=O)c3ccc(=O)n(CCC)n3)C2)C1 ZINC001073418094 789811409 /nfs/dbraw/zinc/81/14/09/789811409.db2.gz MLDUGZOREOFEJZ-UHFFFAOYSA-N 1 1 328.416 0.825 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001069494953 789862463 /nfs/dbraw/zinc/86/24/63/789862463.db2.gz IDPMIXLPCDNUGC-KGLIPLIRSA-N 1 1 339.403 0.672 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[N@@H+]([C@H](C)COC)C3)CC1 ZINC001073457214 789864159 /nfs/dbraw/zinc/86/41/59/789864159.db2.gz GGMJYXRXMPWDPD-MRXNPFEDSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)COC)C3)CC1 ZINC001073457214 789864162 /nfs/dbraw/zinc/86/41/62/789864162.db2.gz GGMJYXRXMPWDPD-MRXNPFEDSA-N 1 1 333.476 0.901 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3ncccc3C#N)C(C)(C)C2)C1 ZINC001069553194 789895345 /nfs/dbraw/zinc/89/53/45/789895345.db2.gz QTXDWHYMGCGDRG-LSDHHAIUSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3ncccc3C#N)C(C)(C)C2)C1 ZINC001069553194 789895352 /nfs/dbraw/zinc/89/53/52/789895352.db2.gz QTXDWHYMGCGDRG-LSDHHAIUSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](Nc3ccnc(C#N)n3)C(C)(C)C2)C1 ZINC001069572086 789908004 /nfs/dbraw/zinc/90/80/04/789908004.db2.gz MOJVCKRVANCPLF-OLZOCXBDSA-N 1 1 328.420 0.371 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)c2C1 ZINC001069860677 790113044 /nfs/dbraw/zinc/11/30/44/790113044.db2.gz DMKWDUUYWWZROG-DOTOQJQBSA-N 1 1 341.459 0.823 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(=O)NC3)c2C1 ZINC001069865782 790122892 /nfs/dbraw/zinc/12/28/92/790122892.db2.gz POECGBGRYJZBAA-AWEZNQCLSA-N 1 1 345.447 0.807 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(=O)NC3)c2C1 ZINC001069865782 790122896 /nfs/dbraw/zinc/12/28/96/790122896.db2.gz POECGBGRYJZBAA-AWEZNQCLSA-N 1 1 345.447 0.807 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)N3)c2C1 ZINC001069881388 790146259 /nfs/dbraw/zinc/14/62/59/790146259.db2.gz BSBZQOLUJOSJJP-AWEZNQCLSA-N 1 1 331.420 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)N3)c2C1 ZINC001069881388 790146262 /nfs/dbraw/zinc/14/62/62/790146262.db2.gz BSBZQOLUJOSJJP-AWEZNQCLSA-N 1 1 331.420 0.560 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2C)[C@@H](n2ccnn2)C1 ZINC001069901166 790170246 /nfs/dbraw/zinc/17/02/46/790170246.db2.gz QWJPVLOXUOPQJY-ZBFHGGJFSA-N 1 1 343.435 0.942 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2cncn2)[C@@H](n2ccnn2)C1 ZINC001069911947 790181064 /nfs/dbraw/zinc/18/10/64/790181064.db2.gz FQSYBMYWSRXWFZ-ZNMIVQPWSA-N 1 1 344.423 0.439 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCOCC2)[C@@H](n2ccnn2)C1 ZINC001069916104 790185568 /nfs/dbraw/zinc/18/55/68/790185568.db2.gz DVGWHZQLCLSLOE-OAGGEKHMSA-N 1 1 331.420 0.460 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](n2ccnn2)C1 ZINC001069916157 790185936 /nfs/dbraw/zinc/18/59/36/790185936.db2.gz HCORTJVNXDIEQV-OLZOCXBDSA-N 1 1 346.391 0.191 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001069917437 790187142 /nfs/dbraw/zinc/18/71/42/790187142.db2.gz RLTUUOKSAWMAFO-KGLIPLIRSA-N 1 1 325.376 0.055 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001069917437 790187145 /nfs/dbraw/zinc/18/71/45/790187145.db2.gz RLTUUOKSAWMAFO-KGLIPLIRSA-N 1 1 325.376 0.055 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@@H](n2ccnn2)C1 ZINC001069918601 790189025 /nfs/dbraw/zinc/18/90/25/790189025.db2.gz YYJGWDQYUYWKQO-KGLIPLIRSA-N 1 1 327.392 0.173 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@@H](n2ccnn2)C1 ZINC001069918601 790189027 /nfs/dbraw/zinc/18/90/27/790189027.db2.gz YYJGWDQYUYWKQO-KGLIPLIRSA-N 1 1 327.392 0.173 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H](n2ccnn2)C1 ZINC001069929155 790201631 /nfs/dbraw/zinc/20/16/31/790201631.db2.gz XRRVRANTMOLUST-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)[C@@H](n2ccnn2)C1 ZINC001069941980 790217918 /nfs/dbraw/zinc/21/79/18/790217918.db2.gz HGHKHVVUAZAPSE-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001069945788 790224820 /nfs/dbraw/zinc/22/48/20/790224820.db2.gz WMABJBLUBKOIBW-ZBFHGGJFSA-N 1 1 344.419 0.567 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001069945788 790224824 /nfs/dbraw/zinc/22/48/24/790224824.db2.gz WMABJBLUBKOIBW-ZBFHGGJFSA-N 1 1 344.419 0.567 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](n2ccnn2)C1 ZINC001069952665 790234221 /nfs/dbraw/zinc/23/42/21/790234221.db2.gz YIIFHKMCWNEXBE-CVEARBPZSA-N 1 1 343.435 0.805 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](n2ccnn2)C1 ZINC001069952665 790234228 /nfs/dbraw/zinc/23/42/28/790234228.db2.gz YIIFHKMCWNEXBE-CVEARBPZSA-N 1 1 343.435 0.805 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001068837375 791231610 /nfs/dbraw/zinc/23/16/10/791231610.db2.gz YKDMWZUNXDAZDX-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC(C)C)CO2 ZINC001068859295 791280725 /nfs/dbraw/zinc/28/07/25/791280725.db2.gz QHVYBYKPRXLPLG-OAHLLOKOSA-N 1 1 344.415 0.337 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068859465 791280881 /nfs/dbraw/zinc/28/08/81/791280881.db2.gz RRAYYNQFYDAQPO-OWCLPIDISA-N 1 1 347.459 0.472 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2COC3(CN(C(=O)C#CC(C)(C)C)C3)C2)C1 ZINC001068874362 791321150 /nfs/dbraw/zinc/32/11/50/791321150.db2.gz OFZSEZKHLCHOIC-CABCVRRESA-N 1 1 347.459 0.474 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H](C)C#N)CO2 ZINC001069002250 791571935 /nfs/dbraw/zinc/57/19/35/791571935.db2.gz CTIYUXMGPRJHNQ-ZIAGYGMSSA-N 1 1 336.436 0.364 20 30 ECEDMO C[C@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119036 791719625 /nfs/dbraw/zinc/71/96/25/791719625.db2.gz MYXALDFSRKZBDP-KBPBESRZSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3ccncc3C#N)C2)C1 ZINC001066675735 791970176 /nfs/dbraw/zinc/97/01/76/791970176.db2.gz RSCVZGVKIYREQT-GOEBONIOSA-N 1 1 343.431 0.356 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNc3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001066686313 791986377 /nfs/dbraw/zinc/98/63/77/791986377.db2.gz NFISSDNCZHHTCS-BPLDGKMQSA-N 1 1 344.419 0.328 20 30 ECEDMO CCCC(=O)N1CC[C@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066698399 792018381 /nfs/dbraw/zinc/01/83/81/792018381.db2.gz KUVOTGYLODSWLQ-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)CC1 ZINC001066730349 792055948 /nfs/dbraw/zinc/05/59/48/792055948.db2.gz WSFYMOPYFOTTLN-KBPBESRZSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066750142 792096852 /nfs/dbraw/zinc/09/68/52/792096852.db2.gz JUPMKWMKYRKBTG-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CSC ZINC001066760279 792117423 /nfs/dbraw/zinc/11/74/23/792117423.db2.gz SOSIJJFIRKWHMT-AWEZNQCLSA-N 1 1 325.478 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CSC ZINC001066760279 792117428 /nfs/dbraw/zinc/11/74/28/792117428.db2.gz SOSIJJFIRKWHMT-AWEZNQCLSA-N 1 1 325.478 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cnn(C)c1 ZINC001066793734 792174734 /nfs/dbraw/zinc/17/47/34/792174734.db2.gz AGPSGVMPWXOBSV-INIZCTEOSA-N 1 1 345.447 0.438 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cnn(C)c1 ZINC001066793734 792174740 /nfs/dbraw/zinc/17/47/40/792174740.db2.gz AGPSGVMPWXOBSV-INIZCTEOSA-N 1 1 345.447 0.438 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CSCC#N ZINC001066873156 792245117 /nfs/dbraw/zinc/24/51/17/792245117.db2.gz GPEGSWCAIISHJG-ZDUSSCGKSA-N 1 1 326.466 0.502 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)c1nccnc1C#N ZINC001067762515 792245056 /nfs/dbraw/zinc/24/50/56/792245056.db2.gz BZWOZUWFNIXDHY-ZIAGYGMSSA-N 1 1 328.420 0.727 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(Nc3nccnc3C#N)C2)C1 ZINC001066906400 792340589 /nfs/dbraw/zinc/34/05/89/792340589.db2.gz RZJKOBSAJJAJFT-GUYCJALGSA-N 1 1 344.419 0.065 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccncc3C#N)C2)C1 ZINC001067838484 792350761 /nfs/dbraw/zinc/35/07/61/792350761.db2.gz JQRQGEUVXAVAHC-PXCJXSSVSA-N 1 1 329.404 0.012 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccncc3C#N)C2)C1 ZINC001067838484 792350767 /nfs/dbraw/zinc/35/07/67/792350767.db2.gz JQRQGEUVXAVAHC-PXCJXSSVSA-N 1 1 329.404 0.012 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3cnc(C#N)cn3)C2)C1 ZINC001067852749 792373268 /nfs/dbraw/zinc/37/32/68/792373268.db2.gz OJNMMHWYQHNAFU-SSDMNJCBSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3cnc(C#N)cn3)C2)C1 ZINC001067852749 792373280 /nfs/dbraw/zinc/37/32/80/792373280.db2.gz OJNMMHWYQHNAFU-SSDMNJCBSA-N 1 1 344.419 0.376 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CC(CNc3ccnc(C#N)n3)C2)C1 ZINC001067889032 792427178 /nfs/dbraw/zinc/42/71/78/792427178.db2.gz LXQOJKWFXFUGHJ-HSBZDZAISA-N 1 1 328.420 0.419 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001067011342 792575507 /nfs/dbraw/zinc/57/55/07/792575507.db2.gz MRHAFMAABUQYNR-HUUCEWRRSA-N 1 1 325.453 0.979 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3ncccc3C#N)CC2(C)C)C1 ZINC001068102468 792675089 /nfs/dbraw/zinc/67/50/89/792675089.db2.gz QBHGJHQEQUUSST-CABCVRRESA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3ncccc3C#N)CC2(C)C)C1 ZINC001068102468 792675096 /nfs/dbraw/zinc/67/50/96/792675096.db2.gz QBHGJHQEQUUSST-CABCVRRESA-N 1 1 343.431 0.615 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001067081950 792679922 /nfs/dbraw/zinc/67/99/22/792679922.db2.gz ZPSKFKGOAUCLIM-CQSZACIVSA-N 1 1 325.453 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001067081950 792679927 /nfs/dbraw/zinc/67/99/27/792679927.db2.gz ZPSKFKGOAUCLIM-CQSZACIVSA-N 1 1 325.453 0.836 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1ncccc1C#N ZINC001067118992 792718136 /nfs/dbraw/zinc/71/81/36/792718136.db2.gz SDJGKEJZPPSBPX-GOEBONIOSA-N 1 1 343.431 0.934 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001068347890 793096158 /nfs/dbraw/zinc/09/61/58/793096158.db2.gz IDNPMFWALRIYIN-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001067427341 793141125 /nfs/dbraw/zinc/14/11/25/793141125.db2.gz UVFGXHVXIHPUBS-HZPDHXFCSA-N 1 1 337.464 0.673 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001068389453 793183601 /nfs/dbraw/zinc/18/36/01/793183601.db2.gz HKVSSKDJMKVFFG-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001068461078 793350992 /nfs/dbraw/zinc/35/09/92/793350992.db2.gz GWOMPCHAARDOHQ-UHFFFAOYSA-N 1 1 349.475 0.818 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)n2cccn2)C1 ZINC001267507057 837593551 /nfs/dbraw/zinc/59/35/51/837593551.db2.gz AMHKVBYNSPWSJS-CABCVRRESA-N 1 1 333.436 0.575 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cncnc2C)C1 ZINC001267509799 837599549 /nfs/dbraw/zinc/59/95/49/837599549.db2.gz WWKZWKDOFFIVIC-CABCVRRESA-N 1 1 345.447 0.918 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CCNC(=O)c3ncc[nH]3)C2)C1=O ZINC001267523755 837682704 /nfs/dbraw/zinc/68/27/04/837682704.db2.gz LXFKXFPZHIKQDI-ZIAGYGMSSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCCC1=O ZINC001267529548 837701124 /nfs/dbraw/zinc/70/11/24/837701124.db2.gz CWVDNNCPCFMORG-IYBDPMFKSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCCC1=O ZINC001267529548 837701131 /nfs/dbraw/zinc/70/11/31/837701131.db2.gz CWVDNNCPCFMORG-IYBDPMFKSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001267530765 837703753 /nfs/dbraw/zinc/70/37/53/837703753.db2.gz ZPZPJDGDRNDYDZ-VVLHAWIVSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267531319 837703888 /nfs/dbraw/zinc/70/38/88/837703888.db2.gz QBEVXTGXMOCYBX-CVEARBPZSA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267531319 837703897 /nfs/dbraw/zinc/70/38/97/837703897.db2.gz QBEVXTGXMOCYBX-CVEARBPZSA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267531319 837703911 /nfs/dbraw/zinc/70/39/11/837703911.db2.gz QBEVXTGXMOCYBX-CVEARBPZSA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267531319 837703925 /nfs/dbraw/zinc/70/39/25/837703925.db2.gz QBEVXTGXMOCYBX-CVEARBPZSA-N 1 1 349.479 0.327 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cc(CC)ccn2)C1 ZINC001267531038 837704153 /nfs/dbraw/zinc/70/41/53/837704153.db2.gz KLPHWQPYNAUCSS-MRXNPFEDSA-N 1 1 342.443 0.835 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cn(C)nc2CC)C1 ZINC001267535611 837713164 /nfs/dbraw/zinc/71/31/64/837713164.db2.gz BJLFBQUPCVLIFS-CQSZACIVSA-N 1 1 345.447 0.174 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](O)COC)cn1 ZINC001267535510 837714770 /nfs/dbraw/zinc/71/47/70/837714770.db2.gz ZORSDSRSPVBPFY-IXDOHACOSA-N 1 1 329.400 0.359 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)Cc2cncn2C)C1 ZINC001267549462 837748073 /nfs/dbraw/zinc/74/80/73/837748073.db2.gz XFUKKVSMUKHKSJ-HNNXBMFYSA-N 1 1 347.463 0.578 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2cncn2C)C1 ZINC001267549462 837748082 /nfs/dbraw/zinc/74/80/82/837748082.db2.gz XFUKKVSMUKHKSJ-HNNXBMFYSA-N 1 1 347.463 0.578 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(C)nc2)C1 ZINC001267552517 837755324 /nfs/dbraw/zinc/75/53/24/837755324.db2.gz YXCAFAYVSPLGQX-OAHLLOKOSA-N 1 1 328.416 0.581 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CCNC(=O)Cc3ccon3)C2)C1=O ZINC001267553715 837756286 /nfs/dbraw/zinc/75/62/86/837756286.db2.gz ACPAYWFHOZNVSX-HOCLYGCPSA-N 1 1 346.431 0.832 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ncccc2C)C1 ZINC001267553661 837758955 /nfs/dbraw/zinc/75/89/55/837758955.db2.gz KVVYZNKKNBRKFE-JKSUJKDBSA-N 1 1 342.443 0.970 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267556307 837763388 /nfs/dbraw/zinc/76/33/88/837763388.db2.gz OZZVFGAQGHKOKQ-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001267560810 837770795 /nfs/dbraw/zinc/77/07/95/837770795.db2.gz NEBRTGOQZZQAPQ-LLVKDONJSA-N 1 1 325.390 0.002 20 30 ECEDMO C=CCOCCN1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267576225 837828888 /nfs/dbraw/zinc/82/88/88/837828888.db2.gz UIDHAPFELQTKLL-KRWDZBQOSA-N 1 1 338.496 0.217 20 30 ECEDMO C=CCOCCN1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267576225 837828897 /nfs/dbraw/zinc/82/88/97/837828897.db2.gz UIDHAPFELQTKLL-KRWDZBQOSA-N 1 1 338.496 0.217 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC001267576887 837832235 /nfs/dbraw/zinc/83/22/35/837832235.db2.gz AUKRQFYQNWSXAQ-CYBMUJFWSA-N 1 1 348.403 0.685 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1ccc[nH]1 ZINC001266247758 835554896 /nfs/dbraw/zinc/55/48/96/835554896.db2.gz VHZPIELKQGVGFY-MRXNPFEDSA-N 1 1 330.432 0.667 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2CN(C(=O)COCC)C[C@H]2C1 ZINC001279339879 835585343 /nfs/dbraw/zinc/58/53/43/835585343.db2.gz PUZVPPNEDZJOGU-IYBDPMFKSA-N 1 1 335.448 0.614 20 30 ECEDMO C=CCN1CC[C@H](N2CC[NH+](CCCNC(=O)[C@H]3C[C@@H]3C)CC2)C1=O ZINC001266269278 835587723 /nfs/dbraw/zinc/58/77/23/835587723.db2.gz DAJPMGQWHOTLKY-ULQDDVLXSA-N 1 1 348.491 0.553 20 30 ECEDMO Cc1ncc2n1C[C@@H](C(=O)NCCC[NH+]1CCN(CC#N)CC1)CC2 ZINC001266271331 835592914 /nfs/dbraw/zinc/59/29/14/835592914.db2.gz KMRWDKNUIITXQX-INIZCTEOSA-N 1 1 344.463 0.401 20 30 ECEDMO C=CCN1CC[C@@H](N(C)CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1=O ZINC001266280624 835608701 /nfs/dbraw/zinc/60/87/01/835608701.db2.gz MEKJDARGKLDNQN-HZPDHXFCSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cncn2-c2ccccc2)CC1 ZINC001266285694 835620633 /nfs/dbraw/zinc/62/06/33/835620633.db2.gz JUOQNPXDKBCADG-UHFFFAOYSA-N 1 1 337.427 0.853 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@@H](C)Oc2cccnc2)CC1 ZINC001266292664 835636888 /nfs/dbraw/zinc/63/68/88/835636888.db2.gz PQIAFDVGOJVQFU-MRXNPFEDSA-N 1 1 330.432 0.606 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2ccc(C)nc2OC)CC1 ZINC001266294645 835640907 /nfs/dbraw/zinc/64/09/07/835640907.db2.gz GBRXFXFZJVLNMN-UHFFFAOYSA-N 1 1 330.432 0.769 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1occ2c1CCOC2 ZINC001266304144 835667093 /nfs/dbraw/zinc/66/70/93/835667093.db2.gz KEXVEABGYJQNBX-GFCCVEGCSA-N 1 1 335.404 0.705 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1occ2c1CCOC2 ZINC001266304144 835667099 /nfs/dbraw/zinc/66/70/99/835667099.db2.gz KEXVEABGYJQNBX-GFCCVEGCSA-N 1 1 335.404 0.705 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001266313043 835681261 /nfs/dbraw/zinc/68/12/61/835681261.db2.gz DZCCBROCIFLDLO-KGLIPLIRSA-N 1 1 338.452 0.125 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001266313043 835681268 /nfs/dbraw/zinc/68/12/68/835681268.db2.gz DZCCBROCIFLDLO-KGLIPLIRSA-N 1 1 338.452 0.125 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)CN2CCOCC2)C1 ZINC001266326150 835704105 /nfs/dbraw/zinc/70/41/05/835704105.db2.gz YNMSGGNWUXTTEY-MRXNPFEDSA-N 1 1 339.480 0.738 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CN2CCOCC2)C1 ZINC001266326150 835704112 /nfs/dbraw/zinc/70/41/12/835704112.db2.gz YNMSGGNWUXTTEY-MRXNPFEDSA-N 1 1 339.480 0.738 20 30 ECEDMO CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CSCC#N)C2 ZINC001279212998 835749475 /nfs/dbraw/zinc/74/94/75/835749475.db2.gz IWGOWDLAJQNVHJ-XJFOESAGSA-N 1 1 338.477 0.866 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001266355281 835759613 /nfs/dbraw/zinc/75/96/13/835759613.db2.gz FCHUUWGTTNAHLG-AWEZNQCLSA-N 1 1 345.447 0.977 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001266355281 835759622 /nfs/dbraw/zinc/75/96/22/835759622.db2.gz FCHUUWGTTNAHLG-AWEZNQCLSA-N 1 1 345.447 0.977 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(Cl)[nH]2)CC1 ZINC001266377043 835788478 /nfs/dbraw/zinc/78/84/78/835788478.db2.gz NQPPZEFECAJTSX-GFCCVEGCSA-N 1 1 349.822 0.892 20 30 ECEDMO C#CCNC(=O)CN1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001266379339 835790639 /nfs/dbraw/zinc/79/06/39/835790639.db2.gz FRGOQWOCRYDCNP-JKSUJKDBSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCNC(=O)CN1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001266379339 835790649 /nfs/dbraw/zinc/79/06/49/835790649.db2.gz FRGOQWOCRYDCNP-JKSUJKDBSA-N 1 1 346.475 0.048 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001266390662 835800037 /nfs/dbraw/zinc/80/00/37/835800037.db2.gz GXYCHPXOMSXHPT-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001266390662 835800047 /nfs/dbraw/zinc/80/00/47/835800047.db2.gz GXYCHPXOMSXHPT-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001266399359 835806922 /nfs/dbraw/zinc/80/69/22/835806922.db2.gz SNXLLUJSYZLVOU-GJZGRUSLSA-N 1 1 345.447 0.022 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001266399359 835806929 /nfs/dbraw/zinc/80/69/29/835806929.db2.gz SNXLLUJSYZLVOU-GJZGRUSLSA-N 1 1 345.447 0.022 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001266447017 835849322 /nfs/dbraw/zinc/84/93/22/835849322.db2.gz NRIPBCXIQSZAIP-TZMCWYRMSA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001266447017 835849328 /nfs/dbraw/zinc/84/93/28/835849328.db2.gz NRIPBCXIQSZAIP-TZMCWYRMSA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cnn2c1CCC2 ZINC001266467873 835869161 /nfs/dbraw/zinc/86/91/61/835869161.db2.gz FUPBYTWFQGMZDH-KGLIPLIRSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cnn2c1CCC2 ZINC001266467873 835869167 /nfs/dbraw/zinc/86/91/67/835869167.db2.gz FUPBYTWFQGMZDH-KGLIPLIRSA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccn2nccc12 ZINC001266471918 835875145 /nfs/dbraw/zinc/87/51/45/835875145.db2.gz YWUCXGSHHWPYHP-AWEZNQCLSA-N 1 1 339.399 0.278 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cccn2nccc12 ZINC001266471918 835875150 /nfs/dbraw/zinc/87/51/50/835875150.db2.gz YWUCXGSHHWPYHP-AWEZNQCLSA-N 1 1 339.399 0.278 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)c2c(OC)ncnc2OC)C1 ZINC001266476363 835878774 /nfs/dbraw/zinc/87/87/74/835878774.db2.gz WYAPJGXOGKTZOT-CYBMUJFWSA-N 1 1 332.404 0.911 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)n1cccn1 ZINC001266489047 835889307 /nfs/dbraw/zinc/88/93/07/835889307.db2.gz VVPQCCXCYAKGHL-LSDHHAIUSA-N 1 1 331.420 0.164 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)n1cccn1 ZINC001266489047 835889312 /nfs/dbraw/zinc/88/93/12/835889312.db2.gz VVPQCCXCYAKGHL-LSDHHAIUSA-N 1 1 331.420 0.164 20 30 ECEDMO C=CCNC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266489658 835889762 /nfs/dbraw/zinc/88/97/62/835889762.db2.gz MWDCPDMLCJCNHB-NXOAAHMSSA-N 1 1 348.491 0.837 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@@H+]1C[C@@H](O)COC ZINC001266492001 835891058 /nfs/dbraw/zinc/89/10/58/835891058.db2.gz FWQIXXWOAQJRLM-ZWKOTPCHSA-N 1 1 330.428 0.798 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001266492240 835892063 /nfs/dbraw/zinc/89/20/63/835892063.db2.gz LCSGZKAAGQCVLW-HNNXBMFYSA-N 1 1 348.451 0.283 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001266492240 835892068 /nfs/dbraw/zinc/89/20/68/835892068.db2.gz LCSGZKAAGQCVLW-HNNXBMFYSA-N 1 1 348.451 0.283 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)Cc1ccccc1 ZINC001266492543 835892654 /nfs/dbraw/zinc/89/26/54/835892654.db2.gz QWPYKSMGVPZKTN-QGZVFWFLSA-N 1 1 327.428 0.949 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001266512044 835920689 /nfs/dbraw/zinc/92/06/89/835920689.db2.gz WRVOVXHBHLGHHZ-CXAGYDPISA-N 1 1 334.420 0.750 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001266512044 835920692 /nfs/dbraw/zinc/92/06/92/835920692.db2.gz WRVOVXHBHLGHHZ-CXAGYDPISA-N 1 1 334.420 0.750 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnc(Cl)n2C)C1 ZINC001266523843 835939233 /nfs/dbraw/zinc/93/92/33/835939233.db2.gz WIJWULQJSDAKQY-LLVKDONJSA-N 1 1 339.827 0.427 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001266537655 835956470 /nfs/dbraw/zinc/95/64/70/835956470.db2.gz PVRZKAYOOROPCC-CABCVRRESA-N 1 1 345.509 0.965 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc(C3CC3)no2)C1 ZINC001266537847 835957845 /nfs/dbraw/zinc/95/78/45/835957845.db2.gz TZLPGZWIQRPXLI-GFCCVEGCSA-N 1 1 330.388 0.353 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)CCCC)C1 ZINC001266544576 835965249 /nfs/dbraw/zinc/96/52/49/835965249.db2.gz DLYAERWSGLZXHQ-CQSZACIVSA-N 1 1 329.466 0.167 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC(C)C)C2)nc1 ZINC001266545882 835967782 /nfs/dbraw/zinc/96/77/82/835967782.db2.gz QXSSUCHYGPBRNH-INIZCTEOSA-N 1 1 342.443 0.887 20 30 ECEDMO C#CCNC(=O)[C@H](C)N(CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266560377 835988731 /nfs/dbraw/zinc/98/87/31/835988731.db2.gz JYVRTQWTUQMAMJ-DOTOQJQBSA-N 1 1 348.491 0.294 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CCNC(=O)C1(C)CC1)C1CC1 ZINC001266591883 836023816 /nfs/dbraw/zinc/02/38/16/836023816.db2.gz ANSXHSPQQLDFOD-LBPRGKRZSA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCNC(=O)C1(C)CC1)C1CC1 ZINC001266591883 836023829 /nfs/dbraw/zinc/02/38/29/836023829.db2.gz ANSXHSPQQLDFOD-LBPRGKRZSA-N 1 1 336.436 0.767 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)[C@]12CCC[C@H]1OCC2)C1CC1 ZINC001266602683 836036953 /nfs/dbraw/zinc/03/69/53/836036953.db2.gz OZZYXHUKQBAPPK-QAPCUYQASA-N 1 1 333.432 0.276 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)[C@]12CCC[C@H]1OCC2)C1CC1 ZINC001266602683 836036965 /nfs/dbraw/zinc/03/69/65/836036965.db2.gz OZZYXHUKQBAPPK-QAPCUYQASA-N 1 1 333.432 0.276 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)Cc1cncc(C)c1)C1CC1 ZINC001266604729 836038571 /nfs/dbraw/zinc/03/85/71/836038571.db2.gz OSLPHMFWKRNJJT-HNNXBMFYSA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)Cc1cncc(C)c1)C1CC1 ZINC001266604729 836038585 /nfs/dbraw/zinc/03/85/85/836038585.db2.gz OSLPHMFWKRNJJT-HNNXBMFYSA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2n[nH]cc2F)C1 ZINC001266658843 836094454 /nfs/dbraw/zinc/09/44/54/836094454.db2.gz JAVCMHQCLUCOEF-GXTWGEPZSA-N 1 1 347.394 0.225 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cc[nH]n2)C1 ZINC001266658924 836095113 /nfs/dbraw/zinc/09/51/13/836095113.db2.gz KAHMJNQPNQGQAY-GOEBONIOSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccn[nH]2)C1 ZINC001266658924 836095122 /nfs/dbraw/zinc/09/51/22/836095122.db2.gz KAHMJNQPNQGQAY-GOEBONIOSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccn[nH]2)C1 ZINC001266658924 836095128 /nfs/dbraw/zinc/09/51/28/836095128.db2.gz KAHMJNQPNQGQAY-GOEBONIOSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001279480652 836160984 /nfs/dbraw/zinc/16/09/84/836160984.db2.gz QRRZGPADVZTSOT-YOEHRIQHSA-N 1 1 340.420 0.085 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001266749845 836239111 /nfs/dbraw/zinc/23/91/11/836239111.db2.gz MRCZJWGYVGZFRG-GJZGRUSLSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccns2)C1 ZINC001266752080 836244348 /nfs/dbraw/zinc/24/43/48/836244348.db2.gz NTTUEZDJKVGXTJ-OLZOCXBDSA-N 1 1 334.445 0.723 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001266755735 836251229 /nfs/dbraw/zinc/25/12/29/836251229.db2.gz UCYUGFBNXSTTLV-HOTGVXAUSA-N 1 1 335.448 0.381 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001266760442 836259454 /nfs/dbraw/zinc/25/94/54/836259454.db2.gz GIERUQPTNMKZKK-XHSDSOJGSA-N 1 1 337.464 0.919 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)nn2CC)C1 ZINC001266760687 836260652 /nfs/dbraw/zinc/26/06/52/836260652.db2.gz KTPFKEAMPCWHFZ-HNNXBMFYSA-N 1 1 347.463 0.955 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001266766949 836272403 /nfs/dbraw/zinc/27/24/03/836272403.db2.gz JPTWEFZORPUIHC-CYBMUJFWSA-N 1 1 331.420 0.984 20 30 ECEDMO CN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)C1=NC(=O)N(C)C1 ZINC001266827252 836353288 /nfs/dbraw/zinc/35/32/88/836353288.db2.gz PNTRMKJOPVQYSG-UHFFFAOYSA-N 1 1 331.351 0.998 20 30 ECEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001266856338 836392005 /nfs/dbraw/zinc/39/20/05/836392005.db2.gz OOBXPGHGYKBSPO-CYBMUJFWSA-N 1 1 331.482 0.861 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)CN1CC(=O)N(C)C1=O ZINC001266857252 836393653 /nfs/dbraw/zinc/39/36/53/836393653.db2.gz KVSMMVFTYGKBRG-AWEZNQCLSA-N 1 1 336.436 0.817 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1nc[nH]n1 ZINC001266862879 836405450 /nfs/dbraw/zinc/40/54/50/836405450.db2.gz DSXOPLCSWAFUAE-ZDUSSCGKSA-N 1 1 334.424 0.010 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001266892188 836440702 /nfs/dbraw/zinc/44/07/02/836440702.db2.gz MHAGOJXLZPUOAE-LSDHHAIUSA-N 1 1 338.452 0.431 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001266896045 836446276 /nfs/dbraw/zinc/44/62/76/836446276.db2.gz WIYQSHNEVANHRL-CHWSQXEVSA-N 1 1 329.466 0.164 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001266896674 836447897 /nfs/dbraw/zinc/44/78/97/836447897.db2.gz FJMIVAWZHXDYMP-KGLIPLIRSA-N 1 1 336.436 0.721 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266897349 836448979 /nfs/dbraw/zinc/44/89/79/836448979.db2.gz NCZLCBRZMMJNTQ-UONOGXRCSA-N 1 1 336.436 0.673 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2ccnc2)C1 ZINC001266897729 836449180 /nfs/dbraw/zinc/44/91/80/836449180.db2.gz PQRIBNNMFSKUJG-HUUCEWRRSA-N 1 1 333.436 0.402 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N[C@H](C)CCC)C[C@H]21 ZINC001266900886 836455124 /nfs/dbraw/zinc/45/51/24/836455124.db2.gz PCFWZFUKBHKHAK-WTEFKJMHSA-N 1 1 337.464 0.665 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N[C@H](C)CCC)C[C@H]21 ZINC001266900886 836455128 /nfs/dbraw/zinc/45/51/28/836455128.db2.gz PCFWZFUKBHKHAK-WTEFKJMHSA-N 1 1 337.464 0.665 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001266902902 836458110 /nfs/dbraw/zinc/45/81/10/836458110.db2.gz HWUYXEFYDFPJGB-VCWNUMGPSA-N 1 1 343.471 0.997 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC001266974583 836544855 /nfs/dbraw/zinc/54/48/55/836544855.db2.gz USOQRABLUFASIB-MJBXVCDLSA-N 1 1 333.436 0.800 20 30 ECEDMO C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001267114703 836806559 /nfs/dbraw/zinc/80/65/59/836806559.db2.gz LFFVENYBXOTFCJ-CQSZACIVSA-N 1 1 334.420 0.853 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCCn2cccc2)C1 ZINC001267114708 836806628 /nfs/dbraw/zinc/80/66/28/836806628.db2.gz LMXMFWVOMQHEOA-KRWDZBQOSA-N 1 1 344.459 0.941 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CCCn2cccc2)C1 ZINC001267114708 836806639 /nfs/dbraw/zinc/80/66/39/836806639.db2.gz LMXMFWVOMQHEOA-KRWDZBQOSA-N 1 1 344.459 0.941 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC1(F)F ZINC001267164845 836885263 /nfs/dbraw/zinc/88/52/63/836885263.db2.gz OAALICFQXZNAMV-CHWSQXEVSA-N 1 1 327.375 0.752 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1ccoc1 ZINC001267164974 836887649 /nfs/dbraw/zinc/88/76/49/836887649.db2.gz JMQAVDOEDKFGFY-HNNXBMFYSA-N 1 1 332.404 0.823 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001267173043 836910231 /nfs/dbraw/zinc/91/02/31/836910231.db2.gz DONHCZONRXCFHW-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cscn1 ZINC001267188047 836945094 /nfs/dbraw/zinc/94/50/94/836945094.db2.gz COZSYTQDTGGTDI-SNVBAGLBSA-N 1 1 339.421 0.205 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cscn1 ZINC001267188047 836945104 /nfs/dbraw/zinc/94/51/04/836945104.db2.gz COZSYTQDTGGTDI-SNVBAGLBSA-N 1 1 339.421 0.205 20 30 ECEDMO C=CCn1cc(C(=O)NCC2(NC(=O)C[N@H+](C)C(C)C)CC2)nn1 ZINC001299164484 836985747 /nfs/dbraw/zinc/98/57/47/836985747.db2.gz ACJSTVBSJPBLGZ-UHFFFAOYSA-N 1 1 334.424 0.183 20 30 ECEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001267237317 837044932 /nfs/dbraw/zinc/04/49/32/837044932.db2.gz HMGLIFAXVLFTOJ-SFHVURJKSA-N 1 1 347.434 0.946 20 30 ECEDMO CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001267237317 837044936 /nfs/dbraw/zinc/04/49/36/837044936.db2.gz HMGLIFAXVLFTOJ-SFHVURJKSA-N 1 1 347.434 0.946 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ccc2nc(C)oc2c1)CC(=O)NCC#N ZINC001267243262 837055209 /nfs/dbraw/zinc/05/52/09/837055209.db2.gz QLPQOZBNXQOJIO-UHFFFAOYSA-N 1 1 343.387 0.828 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ccc2nc(C)oc2c1)CC(=O)NCC#N ZINC001267243262 837055215 /nfs/dbraw/zinc/05/52/15/837055215.db2.gz QLPQOZBNXQOJIO-UHFFFAOYSA-N 1 1 343.387 0.828 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cnc2cnccc2c1 ZINC001267244673 837057614 /nfs/dbraw/zinc/05/76/14/837057614.db2.gz MAOMQFRMVYYNLL-UHFFFAOYSA-N 1 1 339.399 0.431 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cnc2cnccc2c1 ZINC001267244673 837057627 /nfs/dbraw/zinc/05/76/27/837057627.db2.gz MAOMQFRMVYYNLL-UHFFFAOYSA-N 1 1 339.399 0.431 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC001267248791 837065194 /nfs/dbraw/zinc/06/51/94/837065194.db2.gz GRWCKQIRXMUTIJ-DZGCQCFKSA-N 1 1 347.463 0.816 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC001267248791 837065202 /nfs/dbraw/zinc/06/52/02/837065202.db2.gz GRWCKQIRXMUTIJ-DZGCQCFKSA-N 1 1 347.463 0.816 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)C#CC1CC1)CC(=O)N1CCOCC1 ZINC001267257580 837084420 /nfs/dbraw/zinc/08/44/20/837084420.db2.gz MORFDISWVJZVAT-UHFFFAOYSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001267266302 837103145 /nfs/dbraw/zinc/10/31/45/837103145.db2.gz CNQRZFZMIHWFFE-ZDUSSCGKSA-N 1 1 331.420 0.326 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001267266302 837103149 /nfs/dbraw/zinc/10/31/49/837103149.db2.gz CNQRZFZMIHWFFE-ZDUSSCGKSA-N 1 1 331.420 0.326 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001267266840 837103207 /nfs/dbraw/zinc/10/32/07/837103207.db2.gz JARNFBFDCQVAGT-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001267266840 837103210 /nfs/dbraw/zinc/10/32/10/837103210.db2.gz JARNFBFDCQVAGT-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cncs1 ZINC001267271270 837110403 /nfs/dbraw/zinc/11/04/03/837110403.db2.gz RZULMZKORPIMPQ-CHWSQXEVSA-N 1 1 336.461 0.957 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1cncs1 ZINC001267271270 837110408 /nfs/dbraw/zinc/11/04/08/837110408.db2.gz RZULMZKORPIMPQ-CHWSQXEVSA-N 1 1 336.461 0.957 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2nccn21 ZINC001267275322 837118785 /nfs/dbraw/zinc/11/87/85/837118785.db2.gz FMKWTNOBCZBGDA-AWEZNQCLSA-N 1 1 339.399 0.278 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc2nccn21 ZINC001267275322 837118789 /nfs/dbraw/zinc/11/87/89/837118789.db2.gz FMKWTNOBCZBGDA-AWEZNQCLSA-N 1 1 339.399 0.278 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn2cccnc12 ZINC001267276633 837120586 /nfs/dbraw/zinc/12/05/86/837120586.db2.gz PDJZHQDMGBWNOC-CYBMUJFWSA-N 1 1 342.403 0.226 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn2cccnc12 ZINC001267276633 837120592 /nfs/dbraw/zinc/12/05/92/837120592.db2.gz PDJZHQDMGBWNOC-CYBMUJFWSA-N 1 1 342.403 0.226 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2cccnn21 ZINC001267278058 837123493 /nfs/dbraw/zinc/12/34/93/837123493.db2.gz FDOZBBAQRNCFGT-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnc2cccnn21 ZINC001267278058 837123501 /nfs/dbraw/zinc/12/35/01/837123501.db2.gz FDOZBBAQRNCFGT-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)noc1C ZINC001267281616 837129322 /nfs/dbraw/zinc/12/93/22/837129322.db2.gz KONLJUAVNKZNJX-CQSZACIVSA-N 1 1 332.404 0.164 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)noc1C ZINC001267281616 837129328 /nfs/dbraw/zinc/12/93/28/837129328.db2.gz KONLJUAVNKZNJX-CQSZACIVSA-N 1 1 332.404 0.164 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001267282426 837130851 /nfs/dbraw/zinc/13/08/51/837130851.db2.gz QMZMPVMMYGTZLJ-ZDUSSCGKSA-N 1 1 329.466 0.308 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001267282426 837130854 /nfs/dbraw/zinc/13/08/54/837130854.db2.gz QMZMPVMMYGTZLJ-ZDUSSCGKSA-N 1 1 329.466 0.308 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1C ZINC001267283556 837132668 /nfs/dbraw/zinc/13/26/68/837132668.db2.gz YAIALBNUWIHIFQ-QGZVFWFLSA-N 1 1 327.428 0.868 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1C ZINC001267283556 837132674 /nfs/dbraw/zinc/13/26/74/837132674.db2.gz YAIALBNUWIHIFQ-QGZVFWFLSA-N 1 1 327.428 0.868 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001267285438 837135656 /nfs/dbraw/zinc/13/56/56/837135656.db2.gz IGLRZYHXZDKROJ-HNNXBMFYSA-N 1 1 349.431 0.513 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267291674 837141188 /nfs/dbraw/zinc/14/11/88/837141188.db2.gz JZWAPNIPRLIQQF-ZFWWWQNUSA-N 1 1 332.466 0.186 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267291674 837141190 /nfs/dbraw/zinc/14/11/90/837141190.db2.gz JZWAPNIPRLIQQF-ZFWWWQNUSA-N 1 1 332.466 0.186 20 30 ECEDMO O=C(C#CC1CC1)NC[C@@H]1CC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001267293555 837147618 /nfs/dbraw/zinc/14/76/18/837147618.db2.gz VFDLVDANPSQHED-HNNXBMFYSA-N 1 1 329.400 0.747 20 30 ECEDMO O=C(C#CC1CC1)NC[C@@H]1CC[N@H+](CC(=O)NCc2ccco2)C1 ZINC001267293555 837147622 /nfs/dbraw/zinc/14/76/22/837147622.db2.gz VFDLVDANPSQHED-HNNXBMFYSA-N 1 1 329.400 0.747 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccnn2CC(C)C)C1 ZINC001267295100 837150708 /nfs/dbraw/zinc/15/07/08/837150708.db2.gz QVFATULSSFGCCU-OAHLLOKOSA-N 1 1 347.463 0.893 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001267296401 837151141 /nfs/dbraw/zinc/15/11/41/837151141.db2.gz MWYGBUHUNJSXGB-LBPRGKRZSA-N 1 1 330.392 0.607 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2CCC(OC)CC2)C1 ZINC001267299583 837162339 /nfs/dbraw/zinc/16/23/39/837162339.db2.gz DHTOWVNCBXGSHI-FHERZECASA-N 1 1 337.464 0.932 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)c2nnc3ccccc3n2)C1 ZINC001267299173 837162706 /nfs/dbraw/zinc/16/27/06/837162706.db2.gz VQRNUWIQIJXKMW-CQSZACIVSA-N 1 1 339.399 0.726 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001267298671 837162850 /nfs/dbraw/zinc/16/28/50/837162850.db2.gz QBQQZWCZNOHSLS-ZDUSSCGKSA-N 1 1 332.404 0.590 20 30 ECEDMO C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001267299323 837164129 /nfs/dbraw/zinc/16/41/29/837164129.db2.gz XQEMUMUGNOKGEC-ZFWWWQNUSA-N 1 1 331.420 0.770 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001267300982 837165110 /nfs/dbraw/zinc/16/51/10/837165110.db2.gz VZFGZZRCCWOYHZ-GFCCVEGCSA-N 1 1 343.387 0.365 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cncc(OC)n2)C1 ZINC001267302027 837167884 /nfs/dbraw/zinc/16/78/84/837167884.db2.gz AGQHWUCEQCGFPG-OLZOCXBDSA-N 1 1 347.419 0.228 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001267304140 837170663 /nfs/dbraw/zinc/17/06/63/837170663.db2.gz FKOPPVVMTQTZIC-HUUCEWRRSA-N 1 1 345.447 0.401 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(F)cc2C)C1 ZINC001267307268 837180121 /nfs/dbraw/zinc/18/01/21/837180121.db2.gz PILKEAZSLJRFOC-AWEZNQCLSA-N 1 1 331.391 0.935 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](OC)c2ccccc2)C1 ZINC001267308100 837183462 /nfs/dbraw/zinc/18/34/62/837183462.db2.gz ZLXDVJCRSKNCJI-CRAIPNDOSA-N 1 1 343.427 0.562 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](CCC)[C@@H](C)C(=O)N(C)C ZINC001267318411 837195489 /nfs/dbraw/zinc/19/54/89/837195489.db2.gz YAJWSCYZXDTGCS-ZNMIVQPWSA-N 1 1 325.453 0.882 20 30 ECEDMO C=CCNC(=O)[C@H](C)N(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001267324972 837203062 /nfs/dbraw/zinc/20/30/62/837203062.db2.gz AHGOQIRLUDRJGF-IJEWVQPXSA-N 1 1 336.480 0.598 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCNC(=O)c2cc(C)ncn2)C2CC2)C1=O ZINC001267325639 837204125 /nfs/dbraw/zinc/20/41/25/837204125.db2.gz HTNVULRQLOCNNE-MRXNPFEDSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCNC(=O)c2cc(C)ncn2)C2CC2)C1=O ZINC001267325639 837204131 /nfs/dbraw/zinc/20/41/31/837204131.db2.gz HTNVULRQLOCNNE-MRXNPFEDSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCNC(=O)C1CC2(CC2)C1)C1CC1 ZINC001267332772 837213680 /nfs/dbraw/zinc/21/36/80/837213680.db2.gz IYFDZWOAOAVEDJ-UHFFFAOYSA-N 1 1 348.447 0.769 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CCNC(=O)C1CC2(CC2)C1)C1CC1 ZINC001267332772 837213686 /nfs/dbraw/zinc/21/36/86/837213686.db2.gz IYFDZWOAOAVEDJ-UHFFFAOYSA-N 1 1 348.447 0.769 20 30 ECEDMO CN1CC[C@@H]([NH2+][C@@H](CNC(=O)CSCC#N)c2ccccc2)C1=O ZINC001267350549 837238093 /nfs/dbraw/zinc/23/80/93/837238093.db2.gz FKOOABMPMAJTPN-CABCVRRESA-N 1 1 346.456 0.921 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@@H]2CC[N@H+](CC(=O)NCC)C2)nn1 ZINC001267582925 837850322 /nfs/dbraw/zinc/85/03/22/837850322.db2.gz HQTGIYZLVBRPDM-CYBMUJFWSA-N 1 1 334.424 0.042 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CCNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001267584089 837853813 /nfs/dbraw/zinc/85/38/13/837853813.db2.gz UVGRGNQVSVYXES-CYBMUJFWSA-N 1 1 327.388 0.406 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]nc2CCC)C1 ZINC001267585972 837863076 /nfs/dbraw/zinc/86/30/76/837863076.db2.gz GYCKUTWXKZYKGV-CQSZACIVSA-N 1 1 345.447 0.506 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001267586912 837867383 /nfs/dbraw/zinc/86/73/83/837867383.db2.gz BZWKFSFZDVPJTR-ZWKOTPCHSA-N 1 1 339.439 0.955 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC001408661896 837870534 /nfs/dbraw/zinc/87/05/34/837870534.db2.gz MJENDPNBNJKIIR-STQMWFEESA-N 1 1 331.420 0.805 20 30 ECEDMO CC(C)c1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C2)on1 ZINC001267589144 837873646 /nfs/dbraw/zinc/87/36/46/837873646.db2.gz HFWCOIBWKXTQKY-CYBMUJFWSA-N 1 1 347.419 0.832 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H](C)C(N)=O)C2)cc1 ZINC001267589441 837876019 /nfs/dbraw/zinc/87/60/19/837876019.db2.gz KCUALAIHVDBJBA-CABCVRRESA-N 1 1 343.427 0.966 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C[N@@H+](C)Cc2ncnn2C)CC1 ZINC001267598395 837906362 /nfs/dbraw/zinc/90/63/62/837906362.db2.gz CBKJIBASRIZGKE-KRWDZBQOSA-N 1 1 335.452 0.813 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C[N@H+](C)Cc2ncnn2C)CC1 ZINC001267598395 837906369 /nfs/dbraw/zinc/90/63/69/837906369.db2.gz CBKJIBASRIZGKE-KRWDZBQOSA-N 1 1 335.452 0.813 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001267602059 837924843 /nfs/dbraw/zinc/92/48/43/837924843.db2.gz ZAYILZFYCCDRLB-CQSZACIVSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cnn(C(F)F)c2)CC1 ZINC001267618121 838048613 /nfs/dbraw/zinc/04/86/13/838048613.db2.gz KYGHNPXKOYYKCZ-UHFFFAOYSA-N 1 1 325.363 0.601 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001267619983 838056112 /nfs/dbraw/zinc/05/61/12/838056112.db2.gz NFAPYAVVYMZPBK-UONOGXRCSA-N 1 1 336.436 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(=O)NCC2CC2)C1 ZINC001267628230 838081455 /nfs/dbraw/zinc/08/14/55/838081455.db2.gz RBJOBXNWMSPCTQ-IRXDYDNUSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(=O)NCC2CC2)C1 ZINC001267628230 838081469 /nfs/dbraw/zinc/08/14/69/838081469.db2.gz RBJOBXNWMSPCTQ-IRXDYDNUSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC001267634542 838103140 /nfs/dbraw/zinc/10/31/40/838103140.db2.gz DJUOYPYDMWDDKS-RDJZCZTQSA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC001267634542 838103148 /nfs/dbraw/zinc/10/31/48/838103148.db2.gz DJUOYPYDMWDDKS-RDJZCZTQSA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CCn2nc(C)nc2C)C1 ZINC001267647658 838137071 /nfs/dbraw/zinc/13/70/71/838137071.db2.gz YCKMCIYONACNAM-WMLDXEAASA-N 1 1 347.463 0.714 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001267653373 838157531 /nfs/dbraw/zinc/15/75/31/838157531.db2.gz QIGYYSMOCRHFLE-ZIAGYGMSSA-N 1 1 348.451 0.512 20 30 ECEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001267665692 838189971 /nfs/dbraw/zinc/18/99/71/838189971.db2.gz KIEQIIAGYIQBHF-HNNXBMFYSA-N 1 1 343.493 0.768 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001267670724 838203968 /nfs/dbraw/zinc/20/39/68/838203968.db2.gz PDFNUHYFOLFULL-SJORKVTESA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2cc(C)on2)C1 ZINC001267683054 838243763 /nfs/dbraw/zinc/24/37/63/838243763.db2.gz IWIBRDCUZPXTBS-HNNXBMFYSA-N 1 1 348.447 0.998 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC001267684611 838246406 /nfs/dbraw/zinc/24/64/06/838246406.db2.gz QMSJSHSGHHDSRD-CYBMUJFWSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001267689735 838257474 /nfs/dbraw/zinc/25/74/74/838257474.db2.gz HKYAYGUHRVRGCR-JJXSEGSLSA-N 1 1 333.432 0.084 20 30 ECEDMO COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001267690857 838261449 /nfs/dbraw/zinc/26/14/49/838261449.db2.gz RLSJKOJXOAJNNA-AWEZNQCLSA-N 1 1 344.477 0.240 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001267690857 838261454 /nfs/dbraw/zinc/26/14/54/838261454.db2.gz RLSJKOJXOAJNNA-AWEZNQCLSA-N 1 1 344.477 0.240 20 30 ECEDMO CNC(=O)C1(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)CC1 ZINC001267694205 838278999 /nfs/dbraw/zinc/27/89/99/838278999.db2.gz FEXRBZRJPLNARD-UHFFFAOYSA-N 1 1 332.429 0.694 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001267708397 838315761 /nfs/dbraw/zinc/31/57/61/838315761.db2.gz MDZPBBFWTSYZPA-CQSZACIVSA-N 1 1 329.466 0.072 20 30 ECEDMO Cc1noc(C)c1CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001267708381 838316086 /nfs/dbraw/zinc/31/60/86/838316086.db2.gz LVOAZHZMYJMISO-CQSZACIVSA-N 1 1 347.419 0.254 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)C2=COCCO2)CC1 ZINC001267714941 838348233 /nfs/dbraw/zinc/34/82/33/838348233.db2.gz VKDMINQMKJZGNG-CQSZACIVSA-N 1 1 349.431 0.183 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nc(C2CC2)nn1C ZINC001267715662 838355469 /nfs/dbraw/zinc/35/54/69/838355469.db2.gz DBKHSOKWINFNSC-GJZGRUSLSA-N 1 1 345.447 0.723 20 30 ECEDMO Cc1[nH]ccc1C(=O)N1CCC(C[N@H+](C)CC(=O)NCC#N)CC1 ZINC001267724846 838390979 /nfs/dbraw/zinc/39/09/79/838390979.db2.gz OWIMRDKNHAZOIF-UHFFFAOYSA-N 1 1 331.420 0.747 20 30 ECEDMO CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267738752 838436843 /nfs/dbraw/zinc/43/68/43/838436843.db2.gz AOWWVYPNMWTWDI-GXTWGEPZSA-N 1 1 331.420 0.995 20 30 ECEDMO CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267738752 838436848 /nfs/dbraw/zinc/43/68/48/838436848.db2.gz AOWWVYPNMWTWDI-GXTWGEPZSA-N 1 1 331.420 0.995 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC001267741418 838442387 /nfs/dbraw/zinc/44/23/87/838442387.db2.gz XQNBHGVTHQVZPS-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)CC2)C1 ZINC001267741418 838442389 /nfs/dbraw/zinc/44/23/89/838442389.db2.gz XQNBHGVTHQVZPS-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001267769951 838516712 /nfs/dbraw/zinc/51/67/12/838516712.db2.gz XDSWILSJAXBMBA-HOCLYGCPSA-N 1 1 345.447 0.280 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001267769951 838516719 /nfs/dbraw/zinc/51/67/19/838516719.db2.gz XDSWILSJAXBMBA-HOCLYGCPSA-N 1 1 345.447 0.280 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC2CCC2)NC(C)=O)C1 ZINC001267770880 838517834 /nfs/dbraw/zinc/51/78/34/838517834.db2.gz UAJYYEYMFCPVCI-ZWKOTPCHSA-N 1 1 349.475 0.864 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC2CCC2)NC(C)=O)C1 ZINC001267770880 838517839 /nfs/dbraw/zinc/51/78/39/838517839.db2.gz UAJYYEYMFCPVCI-ZWKOTPCHSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267774122 838535213 /nfs/dbraw/zinc/53/52/13/838535213.db2.gz UIZMAAHXFSHXGI-AWEZNQCLSA-N 1 1 331.482 0.767 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001267773775 838535342 /nfs/dbraw/zinc/53/53/42/838535342.db2.gz QDBMGJOTUMALKB-CABCVRRESA-N 1 1 338.452 0.078 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001267773775 838535343 /nfs/dbraw/zinc/53/53/43/838535343.db2.gz QDBMGJOTUMALKB-CABCVRRESA-N 1 1 338.452 0.078 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001267784340 838560206 /nfs/dbraw/zinc/56/02/06/838560206.db2.gz OWEKIIDPTCYDRO-CRAIPNDOSA-N 1 1 337.464 0.859 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001267784340 838560209 /nfs/dbraw/zinc/56/02/09/838560209.db2.gz OWEKIIDPTCYDRO-CRAIPNDOSA-N 1 1 337.464 0.859 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001267786828 838566175 /nfs/dbraw/zinc/56/61/75/838566175.db2.gz QHRYHLAFVRIQGW-HOCLYGCPSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2cccnc2)C1 ZINC001267923694 838798399 /nfs/dbraw/zinc/79/83/99/838798399.db2.gz BLCRMXJNKGVYEL-GDBMZVCRSA-N 1 1 330.432 0.895 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2cccnc2)C1 ZINC001267923694 838798408 /nfs/dbraw/zinc/79/84/08/838798408.db2.gz BLCRMXJNKGVYEL-GDBMZVCRSA-N 1 1 330.432 0.895 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001268024742 839014894 /nfs/dbraw/zinc/01/48/94/839014894.db2.gz KUMPRCCGXXFGCS-KGLIPLIRSA-N 1 1 337.420 0.307 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CCC[C@@H](C)O)CCO2)nc1 ZINC001268028988 839044696 /nfs/dbraw/zinc/04/46/96/839044696.db2.gz ALSFLRNTMKNTAO-ZBFHGGJFSA-N 1 1 331.416 0.655 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CCC[C@@H](C)O)CCO2)nc1 ZINC001268028988 839044709 /nfs/dbraw/zinc/04/47/09/839044709.db2.gz ALSFLRNTMKNTAO-ZBFHGGJFSA-N 1 1 331.416 0.655 20 30 ECEDMO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn(-c2ccncc2)n1 ZINC001268075309 839271193 /nfs/dbraw/zinc/27/11/93/839271193.db2.gz NAFPCXYLNMYQHS-HNNXBMFYSA-N 1 1 341.415 0.967 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)c[nH]1 ZINC000981001304 839305207 /nfs/dbraw/zinc/30/52/07/839305207.db2.gz CVWMHHWNRJSUHF-UHFFFAOYSA-N 1 1 330.392 0.059 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)c[nH]1 ZINC000981001304 839305222 /nfs/dbraw/zinc/30/52/22/839305222.db2.gz CVWMHHWNRJSUHF-UHFFFAOYSA-N 1 1 330.392 0.059 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000152874576 530061813 /nfs/dbraw/zinc/06/18/13/530061813.db2.gz VBQYBWNFPVFIAM-INIZCTEOSA-N 1 1 326.400 0.937 20 30 ECEDMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 ZINC000425802176 210096888 /nfs/dbraw/zinc/09/68/88/210096888.db2.gz ISEMZVZJNIAATG-UHFFFAOYSA-N 1 1 345.403 0.461 20 30 ECEDMO N#Cc1cc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c[nH]1 ZINC000181192680 234113870 /nfs/dbraw/zinc/11/38/70/234113870.db2.gz FOTMAEBXWOSRDA-UHFFFAOYSA-N 1 1 339.403 0.618 20 30 ECEDMO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329678160 291002558 /nfs/dbraw/zinc/00/25/58/291002558.db2.gz VLWJQCXJOIPFLT-MELADBBJSA-N 1 1 329.466 0.894 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)n2)C1 ZINC001077912594 781931803 /nfs/dbraw/zinc/93/18/03/781931803.db2.gz HSOGPAXZIOSXDM-ZIAGYGMSSA-N 1 1 328.376 0.013 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)n2)C1 ZINC001077912594 781931791 /nfs/dbraw/zinc/93/17/91/781931791.db2.gz HSOGPAXZIOSXDM-ZIAGYGMSSA-N 1 1 328.376 0.013 20 30 ECEDMO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCCS3(=O)=O)[C@H]2C1 ZINC000329687468 283061238 /nfs/dbraw/zinc/06/12/38/283061238.db2.gz AMWAGADWZKVPFO-RDBSUJKOSA-N 1 1 329.466 0.894 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCCS3(=O)=O)[C@H]2C1 ZINC000329687468 283061242 /nfs/dbraw/zinc/06/12/42/283061242.db2.gz AMWAGADWZKVPFO-RDBSUJKOSA-N 1 1 329.466 0.894 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC001041672297 781961121 /nfs/dbraw/zinc/96/11/21/781961121.db2.gz AYVBNDDRDWHZRB-FRQCXROJSA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[N@H+]1CC(C)(C)O ZINC000444762791 211096112 /nfs/dbraw/zinc/09/61/12/211096112.db2.gz SLZSNWXDUTYCBS-HNNXBMFYSA-N 1 1 344.459 0.951 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2OC)C1 ZINC000444172757 211056642 /nfs/dbraw/zinc/05/66/42/211056642.db2.gz RWBFTHBOKBFTER-CYBMUJFWSA-N 1 1 339.417 0.566 20 30 ECEDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2OC)C1 ZINC000444172757 211056636 /nfs/dbraw/zinc/05/66/36/211056636.db2.gz RWBFTHBOKBFTER-CYBMUJFWSA-N 1 1 339.417 0.566 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ncccc3C#N)CC2)C1 ZINC000369680617 269693154 /nfs/dbraw/zinc/69/31/54/269693154.db2.gz VHYVDFHRXVJBGJ-OAHLLOKOSA-N 1 1 329.404 0.323 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ncccc3C#N)CC2)C1 ZINC000369680617 269693155 /nfs/dbraw/zinc/69/31/55/269693155.db2.gz VHYVDFHRXVJBGJ-OAHLLOKOSA-N 1 1 329.404 0.323 20 30 ECEDMO N#Cc1ccc([C@H](O)C[NH+]2CCN(c3nc(N)ns3)CC2)cc1 ZINC000268698555 252148928 /nfs/dbraw/zinc/14/89/28/252148928.db2.gz ULKWLPLAVNIHDZ-CYBMUJFWSA-N 1 1 330.417 0.848 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3nc(N)ns3)CC2)cc1 ZINC000268698557 252149916 /nfs/dbraw/zinc/14/99/16/252149916.db2.gz ULKWLPLAVNIHDZ-ZDUSSCGKSA-N 1 1 330.417 0.848 20 30 ECEDMO COCC[NH+]1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330210451 285040449 /nfs/dbraw/zinc/04/04/49/285040449.db2.gz CJHBLKAODVXCNR-HNNXBMFYSA-N 1 1 341.452 0.893 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)COc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000413927212 208379369 /nfs/dbraw/zinc/37/93/69/208379369.db2.gz XPPRORZBRANILB-CQSZACIVSA-N 1 1 331.372 0.500 20 30 ECEDMO C#CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000265054683 533058834 /nfs/dbraw/zinc/05/88/34/533058834.db2.gz UCWVJCXCVKIACW-UHFFFAOYSA-N 1 1 329.400 0.639 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)N(C(C)=O)C1 ZINC000329875465 254620905 /nfs/dbraw/zinc/62/09/05/254620905.db2.gz GOVQUAYJYIURAU-VHDGCEQUSA-N 1 1 327.425 0.547 20 30 ECEDMO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N(C)CCC#N ZINC000129734319 285251063 /nfs/dbraw/zinc/25/10/63/285251063.db2.gz KFBRHFRUDOADAA-OAHLLOKOSA-N 1 1 345.513 0.425 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496311400 255090185 /nfs/dbraw/zinc/09/01/85/255090185.db2.gz RSWQKMMTMXCVPU-QWHCGFSZSA-N 1 1 342.440 0.564 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N(C)CCC#N ZINC000129734319 285251065 /nfs/dbraw/zinc/25/10/65/285251065.db2.gz KFBRHFRUDOADAA-OAHLLOKOSA-N 1 1 345.513 0.425 20 30 ECEDMO C[N@@H+](C[C@H](O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1CC1 ZINC000496920495 255141928 /nfs/dbraw/zinc/14/19/28/255141928.db2.gz MFBUHJWOQPEMCA-CABCVRRESA-N 1 1 338.452 0.886 20 30 ECEDMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000116887620 221004820 /nfs/dbraw/zinc/00/48/20/221004820.db2.gz MSCDUNOQFZRBHL-AWEZNQCLSA-N 1 1 336.417 0.510 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1F ZINC000192014403 165039542 /nfs/dbraw/zinc/03/95/42/165039542.db2.gz SIBBEMOHOKWKGW-GFCCVEGCSA-N 1 1 326.397 0.702 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1F ZINC000192014403 165039544 /nfs/dbraw/zinc/03/95/44/165039544.db2.gz SIBBEMOHOKWKGW-GFCCVEGCSA-N 1 1 326.397 0.702 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000246796291 165142823 /nfs/dbraw/zinc/14/28/23/165142823.db2.gz PGWJSZRRCQPAEM-ROUUACIJSA-N 1 1 345.443 0.952 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)n2ncc(C#N)c2N)CC1=O ZINC000247037374 165149317 /nfs/dbraw/zinc/14/93/17/165149317.db2.gz GMISJNQYQUNIBZ-WCQYABFASA-N 1 1 330.392 0.310 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@@H+]1C[C@H](C)O ZINC000330423344 287204061 /nfs/dbraw/zinc/20/40/61/287204061.db2.gz SZBBHVLTTWYRJF-MELADBBJSA-N 1 1 332.470 0.242 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@H+]1C[C@H](C)O ZINC000330423344 287204064 /nfs/dbraw/zinc/20/40/64/287204064.db2.gz SZBBHVLTTWYRJF-MELADBBJSA-N 1 1 332.470 0.242 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)ccc1F ZINC000171506697 227113107 /nfs/dbraw/zinc/11/31/07/227113107.db2.gz TUEKKTSNLSERQW-UHFFFAOYSA-N 1 1 327.381 0.386 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)ccc1F ZINC000171506697 227113114 /nfs/dbraw/zinc/11/31/14/227113114.db2.gz TUEKKTSNLSERQW-UHFFFAOYSA-N 1 1 327.381 0.386 20 30 ECEDMO CCc1nc(C#N)cc(N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)n1 ZINC000601178498 420575406 /nfs/dbraw/zinc/57/54/06/420575406.db2.gz SXKAENNZENBWOG-CQSZACIVSA-N 1 1 346.435 0.502 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(NC(N)=O)CC3)CC2)cc1 ZINC000271207263 263306747 /nfs/dbraw/zinc/30/67/47/263306747.db2.gz RKDRMCUTRGJZMA-UHFFFAOYSA-N 1 1 341.415 0.793 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(NC(N)=O)CC3)CC2)cc1 ZINC000271207263 263306750 /nfs/dbraw/zinc/30/67/50/263306750.db2.gz RKDRMCUTRGJZMA-UHFFFAOYSA-N 1 1 341.415 0.793 20 30 ECEDMO CCOC(=O)[C@](C)(O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000274653184 263491448 /nfs/dbraw/zinc/49/14/48/263491448.db2.gz NSTZTRLHRNUJHW-BLLLJJGKSA-N 1 1 333.392 0.173 20 30 ECEDMO CCOC(=O)[C@](C)(O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000274653184 263491452 /nfs/dbraw/zinc/49/14/52/263491452.db2.gz NSTZTRLHRNUJHW-BLLLJJGKSA-N 1 1 333.392 0.173 20 30 ECEDMO C[N@H+]1CCN(CCNS(=O)(=O)c2ccc(C#N)nc2)CC1(C)C ZINC000282550410 264052072 /nfs/dbraw/zinc/05/20/72/264052072.db2.gz NRKLIGFWHZMMOR-UHFFFAOYSA-N 1 1 337.449 0.258 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000284029694 264183408 /nfs/dbraw/zinc/18/34/08/264183408.db2.gz OUMPKNPNRVOQCB-UHFFFAOYSA-N 1 1 332.404 0.259 20 30 ECEDMO N#Cc1nnc2ccccc2c1N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333879223 269982182 /nfs/dbraw/zinc/98/21/82/269982182.db2.gz DCLHGKYWDXHSFZ-ZDUSSCGKSA-N 1 1 336.399 0.902 20 30 ECEDMO CC[N@@H+](CCNC(=O)NCCn1cnc(C#N)n1)CCC(F)(F)F ZINC000355514711 266125835 /nfs/dbraw/zinc/12/58/35/266125835.db2.gz VJWFYARMMHBSHK-UHFFFAOYSA-N 1 1 347.345 0.723 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289435451 267242244 /nfs/dbraw/zinc/24/22/44/267242244.db2.gz YFARWDPZHFYTJF-ZFWWWQNUSA-N 1 1 330.436 0.314 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3[C@@H](CO)CC[C@H]3CO)C2=O)cc1 ZINC000347275267 268110499 /nfs/dbraw/zinc/11/04/99/268110499.db2.gz AZMKBTIIUGXVCA-IXDOHACOSA-N 1 1 329.400 0.871 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@](O)(C(N)=O)C3)C2=O)cc1 ZINC000286344783 268113424 /nfs/dbraw/zinc/11/34/24/268113424.db2.gz XIVMRVLOADRLOM-YJBOKZPZSA-N 1 1 342.399 0.366 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000368336759 268138190 /nfs/dbraw/zinc/13/81/90/268138190.db2.gz QDLQYOJMEJJRGP-ZIAGYGMSSA-N 1 1 326.356 0.481 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)COC3CCOCC3)C2)nc1 ZINC000292041045 268181196 /nfs/dbraw/zinc/18/11/96/268181196.db2.gz ALICRUJGLVWGCQ-DOTOQJQBSA-N 1 1 347.415 0.963 20 30 ECEDMO N#Cc1ccc(CC(=O)N2CCC[C@H](C[N@@H+]3CC[C@H](O)C3)C2)cn1 ZINC000529399835 268215100 /nfs/dbraw/zinc/21/51/00/268215100.db2.gz RAESMUBHXXUFRM-WBVHZDCISA-N 1 1 328.416 0.801 20 30 ECEDMO N#Cc1cccc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000355076413 268261801 /nfs/dbraw/zinc/26/18/01/268261801.db2.gz BUXZSOCYLCETRN-UHFFFAOYSA-N 1 1 327.348 0.880 20 30 ECEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)C1=O ZINC000368246460 268304638 /nfs/dbraw/zinc/30/46/38/268304638.db2.gz WXHFHWMRNOLJNR-XQQFMLRXSA-N 1 1 330.413 0.793 20 30 ECEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)C1=O ZINC000368246460 268304639 /nfs/dbraw/zinc/30/46/39/268304639.db2.gz WXHFHWMRNOLJNR-XQQFMLRXSA-N 1 1 330.413 0.793 20 30 ECEDMO CC(C)(C)N1C[C@H](C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1=O ZINC000330108193 275514008 /nfs/dbraw/zinc/51/40/08/275514008.db2.gz NGTNMUOLRXCEHT-DYVFJYSZSA-N 1 1 341.452 0.673 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](CO)C[C@H]2C)CC1 ZINC000344163016 276011435 /nfs/dbraw/zinc/01/14/35/276011435.db2.gz ZQGIMTYDZGNOHO-IKGGRYGDSA-N 1 1 336.480 0.772 20 30 ECEDMO CC(C)C[C@H](CNC(=O)N1CCO[C@@H](CO)C1)[NH+]1CCOCC1 ZINC000331180133 279120187 /nfs/dbraw/zinc/12/01/87/279120187.db2.gz LDRZKRVXGIDCHP-HUUCEWRRSA-N 1 1 329.441 0.340 20 30 ECEDMO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000329494496 279267542 /nfs/dbraw/zinc/26/75/42/279267542.db2.gz WUWWKSIBYBWXGW-KGLIPLIRSA-N 1 1 331.482 0.936 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000329494496 279267546 /nfs/dbraw/zinc/26/75/46/279267546.db2.gz WUWWKSIBYBWXGW-KGLIPLIRSA-N 1 1 331.482 0.936 20 30 ECEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000187827751 288144162 /nfs/dbraw/zinc/14/41/62/288144162.db2.gz WMLMKWVLXMIFTC-CYBMUJFWSA-N 1 1 344.415 0.800 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000187827751 288144168 /nfs/dbraw/zinc/14/41/68/288144168.db2.gz WMLMKWVLXMIFTC-CYBMUJFWSA-N 1 1 344.415 0.800 20 30 ECEDMO C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@H+]1CC(C)(C)O ZINC000189887593 437609871 /nfs/dbraw/zinc/60/98/71/437609871.db2.gz KHVKUWLPGLXWQO-HNNXBMFYSA-N 1 1 335.452 0.419 20 30 ECEDMO C[C@H](NC(=O)N1CCC[C@@H]1CS(N)(=O)=O)C1=CC[N@@H+](C)CC1 ZINC000328857306 289232816 /nfs/dbraw/zinc/23/28/16/289232816.db2.gz YBMCOGBXXYPNSE-WCQYABFASA-N 1 1 330.454 0.304 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1O ZINC001077977939 782059768 /nfs/dbraw/zinc/05/97/68/782059768.db2.gz XCPRXFMCVPUIHA-BFHYXJOUSA-N 1 1 335.404 0.456 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@@H](n2ccnn2)C1 ZINC001069970777 790260606 /nfs/dbraw/zinc/26/06/06/790260606.db2.gz ZZMJBTUEFLAZBM-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@@H](n2ccnn2)C1 ZINC001069970777 790260611 /nfs/dbraw/zinc/26/06/11/790260611.db2.gz ZZMJBTUEFLAZBM-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO CCn1cc(C#N)c(=O)n(Cc2[nH+]ccn2CC(F)(F)F)c1=O ZINC000077566078 436242843 /nfs/dbraw/zinc/24/28/43/436242843.db2.gz CCWNVSXBNBHNSO-UHFFFAOYSA-N 1 1 327.266 0.709 20 30 ECEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H](O)CN1CCOCC1 ZINC000083244464 436368917 /nfs/dbraw/zinc/36/89/17/436368917.db2.gz YTKULSRBOJTWHD-MRXNPFEDSA-N 1 1 346.431 0.512 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC000081670062 436355191 /nfs/dbraw/zinc/35/51/91/436355191.db2.gz CQPKJTYDESMSBU-QGZVFWFLSA-N 1 1 348.491 0.248 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000091229194 436446424 /nfs/dbraw/zinc/44/64/24/436446424.db2.gz RDFVHTSIXUVFPX-LBPRGKRZSA-N 1 1 332.408 0.659 20 30 ECEDMO C#CCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000091218056 436446569 /nfs/dbraw/zinc/44/65/69/436446569.db2.gz YJKCEPGNDFMPMA-GXTWGEPZSA-N 1 1 327.450 0.301 20 30 ECEDMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCCC#N)CC2)C[C@@H](C)O1 ZINC000102397070 436552213 /nfs/dbraw/zinc/55/22/13/436552213.db2.gz QYADTKAHRIZCDE-HUUCEWRRSA-N 1 1 344.481 0.652 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105867056 436582671 /nfs/dbraw/zinc/58/26/71/436582671.db2.gz OBJWJQLESUXACP-UHFFFAOYSA-N 1 1 334.424 0.648 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105867056 436582674 /nfs/dbraw/zinc/58/26/74/436582674.db2.gz OBJWJQLESUXACP-UHFFFAOYSA-N 1 1 334.424 0.648 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107301074 436609564 /nfs/dbraw/zinc/60/95/64/436609564.db2.gz SJJFWTUHYYQXTF-UONOGXRCSA-N 1 1 344.481 0.081 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107301074 436609567 /nfs/dbraw/zinc/60/95/67/436609567.db2.gz SJJFWTUHYYQXTF-UONOGXRCSA-N 1 1 344.481 0.081 20 30 ECEDMO N#Cc1cccnc1N1CCC[N@H+](CCC(=O)N2CCOCC2)CC1 ZINC000064634793 436649968 /nfs/dbraw/zinc/64/99/68/436649968.db2.gz XAFCPFWLYQIXLI-UHFFFAOYSA-N 1 1 343.431 0.714 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2ccn3ncc(C#N)c23)C1 ZINC000551981063 302378174 /nfs/dbraw/zinc/37/81/74/302378174.db2.gz HELTYXCHJPCYJK-OAHLLOKOSA-N 1 1 344.419 0.480 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000194031102 436657703 /nfs/dbraw/zinc/65/77/03/436657703.db2.gz CORGXBQBCGBPNJ-UONOGXRCSA-N 1 1 344.415 0.202 20 30 ECEDMO C=CCCS(=O)(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000120859333 436699017 /nfs/dbraw/zinc/69/90/17/436699017.db2.gz XCZJCGXNQNLQEV-UHFFFAOYSA-N 1 1 325.438 0.571 20 30 ECEDMO Cc1cc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)nn1CCC#N ZINC000272167930 436706785 /nfs/dbraw/zinc/70/67/85/436706785.db2.gz ZRXVWJNGHAGVEY-UHFFFAOYSA-N 1 1 347.423 0.391 20 30 ECEDMO CN(C)S(=O)(=O)CCC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000119861574 436674487 /nfs/dbraw/zinc/67/44/87/436674487.db2.gz HPDJEXYQXDVGOK-UHFFFAOYSA-N 1 1 328.442 0.009 20 30 ECEDMO Cc1[nH+]ccn1CCCON=C(N)C1=C(N)C2(CCCC2)N(C)C1=O ZINC000271232124 436679931 /nfs/dbraw/zinc/67/99/31/436679931.db2.gz UVCKPAWDGQCAEN-UHFFFAOYSA-N 1 1 346.435 0.868 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000120295592 436683282 /nfs/dbraw/zinc/68/32/82/436683282.db2.gz YMAHBTWUVGFGQI-NSHDSACASA-N 1 1 344.341 0.891 20 30 ECEDMO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000246013596 436770459 /nfs/dbraw/zinc/77/04/59/436770459.db2.gz KQBCKMCKZJIUGS-GJZGRUSLSA-N 1 1 338.452 0.420 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)c(OC)c1 ZINC000274066021 436796475 /nfs/dbraw/zinc/79/64/75/436796475.db2.gz BAVKMHZIQQQFJE-OWCLPIDISA-N 1 1 337.416 0.591 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1 ZINC000274155998 436802220 /nfs/dbraw/zinc/80/22/20/436802220.db2.gz FUYRWWPTDVLITO-UHFFFAOYSA-N 1 1 339.399 0.352 20 30 ECEDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000155773982 436803672 /nfs/dbraw/zinc/80/36/72/436803672.db2.gz YRTWCKZKOCQNTC-CYBMUJFWSA-N 1 1 336.417 0.510 20 30 ECEDMO C#CC[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C1CCCC1 ZINC000155915518 436805162 /nfs/dbraw/zinc/80/51/62/436805162.db2.gz WTULZUJUKGPUKN-UHFFFAOYSA-N 1 1 330.388 0.514 20 30 ECEDMO C#CC[N@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C1CCCC1 ZINC000155915518 436805165 /nfs/dbraw/zinc/80/51/65/436805165.db2.gz WTULZUJUKGPUKN-UHFFFAOYSA-N 1 1 330.388 0.514 20 30 ECEDMO N#Cc1c(C#N)c(N2CC[NH2+][C@@H](C(N)=O)C2)nc2c1CCCCCC2 ZINC000279965872 436853651 /nfs/dbraw/zinc/85/36/51/436853651.db2.gz CQFMDVDRBWGXCF-MRXNPFEDSA-N 1 1 338.415 0.747 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000159125754 436853743 /nfs/dbraw/zinc/85/37/43/436853743.db2.gz VCFBRMHSZGBKKI-MRXNPFEDSA-N 1 1 333.436 0.928 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c(C)nn(CCOC)c1C ZINC000293214603 436857203 /nfs/dbraw/zinc/85/72/03/436857203.db2.gz BHQDBCRCXLXUTR-UHFFFAOYSA-N 1 1 349.435 0.156 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000293241058 436859514 /nfs/dbraw/zinc/85/95/14/436859514.db2.gz CUWJLIGQKIUMGN-UHFFFAOYSA-N 1 1 342.399 0.581 20 30 ECEDMO C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H](N2CC=CC2)C1 ZINC000261992967 436899746 /nfs/dbraw/zinc/89/97/46/436899746.db2.gz RUPHECDWGWDTJU-HNNXBMFYSA-N 1 1 329.452 0.701 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000170935062 436963191 /nfs/dbraw/zinc/96/31/91/436963191.db2.gz RZYBVCBPJLOJPD-UHFFFAOYSA-N 1 1 347.394 0.661 20 30 ECEDMO C=CCN1CC[C@@H](N(C)CCC[N@@H+](C)[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000281480422 436973255 /nfs/dbraw/zinc/97/32/55/436973255.db2.gz WNNLCPZHRYHIHQ-IAGOWNOFSA-N 1 1 348.491 0.814 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000294020407 436928969 /nfs/dbraw/zinc/92/89/69/436928969.db2.gz QNELKVDUJQFKRP-UHFFFAOYSA-N 1 1 349.456 0.694 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280910731 436932630 /nfs/dbraw/zinc/93/26/30/436932630.db2.gz SCKGJVHMVDZYJJ-NXHRZFHOSA-N 1 1 327.428 0.710 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280910731 436932635 /nfs/dbraw/zinc/93/26/35/436932635.db2.gz SCKGJVHMVDZYJJ-NXHRZFHOSA-N 1 1 327.428 0.710 20 30 ECEDMO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000280958289 436936286 /nfs/dbraw/zinc/93/62/86/436936286.db2.gz JLQFYLBUDSYJRC-UHFFFAOYSA-N 1 1 338.433 0.585 20 30 ECEDMO CC1CCN(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264130700 437016868 /nfs/dbraw/zinc/01/68/68/437016868.db2.gz XYPJYDNNIZAXMF-UHFFFAOYSA-N 1 1 331.468 0.645 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000298057911 437023388 /nfs/dbraw/zinc/02/33/88/437023388.db2.gz DCYNEEPDQIYNHJ-HNNXBMFYSA-N 1 1 335.429 0.749 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCO[C@@H]1c1nccn1CC ZINC000296629577 436995050 /nfs/dbraw/zinc/99/50/50/436995050.db2.gz NKJYCMHDRQDLAY-GJZGRUSLSA-N 1 1 333.436 0.987 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCc1nnc2n1CCCCC2 ZINC000296651282 436995844 /nfs/dbraw/zinc/99/58/44/436995844.db2.gz SWHNJJNWSVOTGS-UHFFFAOYSA-N 1 1 332.452 0.801 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000296725318 436998514 /nfs/dbraw/zinc/99/85/14/436998514.db2.gz CMLRBRUVLKBWKD-UHFFFAOYSA-N 1 1 340.431 0.740 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000296881966 436998902 /nfs/dbraw/zinc/99/89/02/436998902.db2.gz LRYAFTIYJIPRKQ-UHFFFAOYSA-N 1 1 349.456 0.941 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000296881966 436998907 /nfs/dbraw/zinc/99/89/07/436998907.db2.gz LRYAFTIYJIPRKQ-UHFFFAOYSA-N 1 1 349.456 0.941 20 30 ECEDMO C[N@@H+](CCCO)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000281840661 437001039 /nfs/dbraw/zinc/00/10/39/437001039.db2.gz MVQZAHWQOJCQLR-QGZVFWFLSA-N 1 1 348.422 0.849 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)nn1CCC#N ZINC000275721213 437004784 /nfs/dbraw/zinc/00/47/84/437004784.db2.gz RZZBCHIZFQCAQI-AWEZNQCLSA-N 1 1 346.435 0.844 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000282220306 437011268 /nfs/dbraw/zinc/01/12/68/437011268.db2.gz AOKFECFOHLAVTK-GFCCVEGCSA-N 1 1 326.426 0.021 20 30 ECEDMO N#Cc1cccc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000264555200 437046067 /nfs/dbraw/zinc/04/60/67/437046067.db2.gz DNDCTSKOEGSXKC-HNNXBMFYSA-N 1 1 329.404 0.697 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cn2cc(Br)cn2)CC1 ZINC000299301339 437067924 /nfs/dbraw/zinc/06/79/24/437067924.db2.gz GVNKEVUQBPKNGJ-UHFFFAOYSA-N 1 1 325.210 0.813 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000284953556 437075261 /nfs/dbraw/zinc/07/52/61/437075261.db2.gz JGAGYALDLWYBJT-RDTXWAMCSA-N 1 1 344.415 0.552 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000284953556 437075264 /nfs/dbraw/zinc/07/52/64/437075264.db2.gz JGAGYALDLWYBJT-RDTXWAMCSA-N 1 1 344.415 0.552 20 30 ECEDMO C=CCNC(=O)c1ccc(NC2CC[NH+](CC(=O)NC)CC2)nc1 ZINC000264824280 437090553 /nfs/dbraw/zinc/09/05/53/437090553.db2.gz BOIPABMREOBLBF-UHFFFAOYSA-N 1 1 331.420 0.620 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000175242198 437100626 /nfs/dbraw/zinc/10/06/26/437100626.db2.gz QKCDUQIIJPYACT-UHFFFAOYSA-N 1 1 332.404 0.890 20 30 ECEDMO C#CCC[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000302163326 437141844 /nfs/dbraw/zinc/14/18/44/437141844.db2.gz ZBNXZYBQCYHGNT-UHFFFAOYSA-N 1 1 338.389 0.388 20 30 ECEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCn1cnc(C#N)n1 ZINC000286926675 437145846 /nfs/dbraw/zinc/14/58/46/437145846.db2.gz OMTVTKZAVUOOLH-AWEZNQCLSA-N 1 1 341.419 0.969 20 30 ECEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000276486268 437114471 /nfs/dbraw/zinc/11/44/71/437114471.db2.gz UDLPYSZVEAOBHQ-ZDUSSCGKSA-N 1 1 339.461 0.889 20 30 ECEDMO C=CCC[N@H+](C)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000276511560 437118497 /nfs/dbraw/zinc/11/84/97/437118497.db2.gz XQALZXSFDNFOAP-UHFFFAOYSA-N 1 1 339.461 0.891 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCOC[C@@H]2C#N)CC1=O ZINC000175879310 437120207 /nfs/dbraw/zinc/12/02/07/437120207.db2.gz FLANJZVDESKKGO-KFWWJZLASA-N 1 1 334.420 0.070 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000287404735 437185566 /nfs/dbraw/zinc/18/55/66/437185566.db2.gz QMXJTPVTVURQPM-CQSZACIVSA-N 1 1 332.404 0.797 20 30 ECEDMO CC[C@H]1CN(C(=O)Cc2noc(C)c2C#N)C[C@H]1[NH+]1CCOCC1 ZINC000332160643 437207979 /nfs/dbraw/zinc/20/79/79/437207979.db2.gz IYZOSYSDDDZGDJ-XJKSGUPXSA-N 1 1 332.404 0.966 20 30 ECEDMO CCN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000328666460 437249153 /nfs/dbraw/zinc/24/91/53/437249153.db2.gz ZXYJBVZUKQHFEO-GXTWGEPZSA-N 1 1 329.466 0.894 20 30 ECEDMO NS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000328678502 437249988 /nfs/dbraw/zinc/24/99/88/437249988.db2.gz SVCSINKLOVFZDY-KGLIPLIRSA-N 1 1 344.481 0.670 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000328749107 437258640 /nfs/dbraw/zinc/25/86/40/437258640.db2.gz QRJKCINOXMTLAI-OAGGEKHMSA-N 1 1 340.468 0.274 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000329018835 437304012 /nfs/dbraw/zinc/30/40/12/437304012.db2.gz HFBJEZKZBACAIX-CABCVRRESA-N 1 1 339.484 0.479 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000336912092 437309356 /nfs/dbraw/zinc/30/93/56/437309356.db2.gz JQKLCJJDUOIANQ-KBPBESRZSA-N 1 1 346.497 0.944 20 30 ECEDMO CCC[C@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC[N@@H+]1CCOC ZINC000336936811 437313692 /nfs/dbraw/zinc/31/36/92/437313692.db2.gz GKVNFOMYDBGJJN-CABCVRRESA-N 1 1 346.497 0.755 20 30 ECEDMO CCC[C@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC[N@H+]1CCOC ZINC000336936811 437313698 /nfs/dbraw/zinc/31/36/98/437313698.db2.gz GKVNFOMYDBGJJN-CABCVRRESA-N 1 1 346.497 0.755 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCO1 ZINC000329122245 437320075 /nfs/dbraw/zinc/32/00/75/437320075.db2.gz WQFBLVMALPJQJN-RBSFLKMASA-N 1 1 338.452 0.706 20 30 ECEDMO O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000328923433 437286289 /nfs/dbraw/zinc/28/62/89/437286289.db2.gz CYHNHBUJUOWNIM-VXGBXAGGSA-N 1 1 348.369 0.886 20 30 ECEDMO O=C(C[N@@H+]1CC[C@H](C2CC2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000328941345 437287616 /nfs/dbraw/zinc/28/76/16/437287616.db2.gz KZLDWJZOJSERGH-RYUDHWBXSA-N 1 1 329.422 0.776 20 30 ECEDMO O=C(C[N@H+]1CC[C@H](C2CC2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000328941345 437287620 /nfs/dbraw/zinc/28/76/20/437287620.db2.gz KZLDWJZOJSERGH-RYUDHWBXSA-N 1 1 329.422 0.776 20 30 ECEDMO C=CCNC(=O)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000180439665 437290828 /nfs/dbraw/zinc/29/08/28/437290828.db2.gz AUBRTWAERDFMOZ-HOCLYGCPSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccncn1 ZINC001077982362 782068602 /nfs/dbraw/zinc/06/86/02/782068602.db2.gz LQXACISEFWRCHH-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccncn1 ZINC001077982362 782068612 /nfs/dbraw/zinc/06/86/12/782068612.db2.gz LQXACISEFWRCHH-ZFWWWQNUSA-N 1 1 329.404 0.199 20 30 ECEDMO C[N@H+]1CCCN(C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)CC1 ZINC000329388387 437361009 /nfs/dbraw/zinc/36/10/09/437361009.db2.gz RITQJRGLLHSNTI-GFCCVEGCSA-N 1 1 334.424 0.880 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)[C@H]2C1 ZINC000329470680 437373722 /nfs/dbraw/zinc/37/37/22/437373722.db2.gz YZOAKNSPRKWWBI-MCIONIFRSA-N 1 1 344.481 0.350 20 30 ECEDMO CN(CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000267388667 437326787 /nfs/dbraw/zinc/32/67/87/437326787.db2.gz CHNATSBJDMOVIH-UHFFFAOYSA-N 1 1 331.468 0.788 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000338343080 437404518 /nfs/dbraw/zinc/40/45/18/437404518.db2.gz HWKGGSTWQWIHIJ-RYUDHWBXSA-N 1 1 332.408 0.639 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000338343080 437404522 /nfs/dbraw/zinc/40/45/22/437404522.db2.gz HWKGGSTWQWIHIJ-RYUDHWBXSA-N 1 1 332.408 0.639 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000329804054 437415266 /nfs/dbraw/zinc/41/52/66/437415266.db2.gz LTRIFKPIGJWMEP-JHJVBQTASA-N 1 1 336.440 0.726 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000329804054 437415272 /nfs/dbraw/zinc/41/52/72/437415272.db2.gz LTRIFKPIGJWMEP-JHJVBQTASA-N 1 1 336.440 0.726 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000329804054 437415277 /nfs/dbraw/zinc/41/52/77/437415277.db2.gz LTRIFKPIGJWMEP-JHJVBQTASA-N 1 1 336.440 0.726 20 30 ECEDMO CCN1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000329851675 437420942 /nfs/dbraw/zinc/42/09/42/437420942.db2.gz QYRJJTZPNMEXBS-OKILXGFUSA-N 1 1 340.468 0.952 20 30 ECEDMO CCN1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000329851675 437420946 /nfs/dbraw/zinc/42/09/46/437420946.db2.gz QYRJJTZPNMEXBS-OKILXGFUSA-N 1 1 340.468 0.952 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCCOC2)CC1 ZINC000329918917 437431829 /nfs/dbraw/zinc/43/18/29/437431829.db2.gz GFACHPJCCACIKO-CQSZACIVSA-N 1 1 326.441 0.423 20 30 ECEDMO CNC(=O)NC(=O)CC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000289632085 437429222 /nfs/dbraw/zinc/42/92/22/437429222.db2.gz ZUBQCTZUNNQCIK-UHFFFAOYSA-N 1 1 336.421 0.291 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)CC[NH+]2CCN(CC)CC2)n1 ZINC000279173442 437380323 /nfs/dbraw/zinc/38/03/23/437380323.db2.gz ROCKWFRHHGGIHK-UHFFFAOYSA-N 1 1 331.464 0.892 20 30 ECEDMO COc1cc(N2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000329599087 437389474 /nfs/dbraw/zinc/38/94/74/437389474.db2.gz JQPZFYPDHJQFGO-ZDUSSCGKSA-N 1 1 334.424 0.615 20 30 ECEDMO N#CCCOCC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000339034851 437435343 /nfs/dbraw/zinc/43/53/43/437435343.db2.gz DPOKQKTZLPMXJI-UHFFFAOYSA-N 1 1 341.419 0.710 20 30 ECEDMO CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000329973256 437440480 /nfs/dbraw/zinc/44/04/80/437440480.db2.gz WRKGOQADJPQBFM-LBPRGKRZSA-N 1 1 332.470 0.350 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000185598454 437445860 /nfs/dbraw/zinc/44/58/60/437445860.db2.gz ZXGJLFARVIUFID-UHFFFAOYSA-N 1 1 346.431 0.857 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000330059040 437448267 /nfs/dbraw/zinc/44/82/67/437448267.db2.gz KIEVJMPOYGCJLI-CYBMUJFWSA-N 1 1 333.436 0.927 20 30 ECEDMO Cn1nc(CCNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c2ccccc21 ZINC000330093441 437453400 /nfs/dbraw/zinc/45/34/00/437453400.db2.gz RNNWMRGYZJRQPX-CQSZACIVSA-N 1 1 344.463 0.865 20 30 ECEDMO C=C[C@H](CO)NC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000290077079 437460486 /nfs/dbraw/zinc/46/04/86/437460486.db2.gz ONDUDEUNCPJGMX-DZGCQCFKSA-N 1 1 347.415 0.681 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000330377388 437495151 /nfs/dbraw/zinc/49/51/51/437495151.db2.gz FGKBSVWWENKWBB-UONOGXRCSA-N 1 1 332.470 0.365 20 30 ECEDMO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)N(CCC#N)CCOC)C[C@@H]1C ZINC000330375514 437495650 /nfs/dbraw/zinc/49/56/50/437495650.db2.gz NWTDAMUZVQKUMG-UONOGXRCSA-N 1 1 332.470 0.508 20 30 ECEDMO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)N(CCC#N)CCOC)C[C@@H]1C ZINC000330375514 437495656 /nfs/dbraw/zinc/49/56/56/437495656.db2.gz NWTDAMUZVQKUMG-UONOGXRCSA-N 1 1 332.470 0.508 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000330387085 437498449 /nfs/dbraw/zinc/49/84/49/437498449.db2.gz MPTAELJCQTVNAZ-ZDUSSCGKSA-N 1 1 332.470 0.101 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCCC#N)C[C@@H](C)O1 ZINC000339841111 437505831 /nfs/dbraw/zinc/50/58/31/437505831.db2.gz CASQPDQLCMWTCH-ZIAGYGMSSA-N 1 1 338.452 0.800 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000330430089 437509533 /nfs/dbraw/zinc/50/95/33/437509533.db2.gz HZGLCSRYGWMAFN-STQMWFEESA-N 1 1 326.441 0.909 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC000330569241 437553633 /nfs/dbraw/zinc/55/36/33/437553633.db2.gz DMPWVQXUXWNOAH-KBPBESRZSA-N 1 1 343.424 0.131 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000330602059 437564861 /nfs/dbraw/zinc/56/48/61/437564861.db2.gz ZXKJEZVPOFDOIE-RDBSUJKOSA-N 1 1 327.425 0.895 20 30 ECEDMO C[C@H](CNC(=O)N1CCC[C@H](CNC(N)=O)C1)C[NH+]1CCOCC1 ZINC000330839363 437629286 /nfs/dbraw/zinc/62/92/86/437629286.db2.gz JGKUGOWTVGZNRB-ZIAGYGMSSA-N 1 1 341.456 0.663 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC(C#N)CC2)CCCO1 ZINC000360923283 437652411 /nfs/dbraw/zinc/65/24/11/437652411.db2.gz IOUSDNHXFKEFSX-AWEZNQCLSA-N 1 1 336.436 0.366 20 30 ECEDMO C=CCN(CCOC)C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000191975165 437656549 /nfs/dbraw/zinc/65/65/49/437656549.db2.gz HDRGDWIYWNXEAY-CVEARBPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C[N@H+]1CC[C@@]2(CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)C1 ZINC000292103580 437658430 /nfs/dbraw/zinc/65/84/30/437658430.db2.gz IGUFVKFYWQXVNU-MRXNPFEDSA-N 1 1 334.445 0.755 20 30 ECEDMO CC(C)[C@@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(N)=O ZINC000330996183 437665567 /nfs/dbraw/zinc/66/55/67/437665567.db2.gz ONKJBODOSUMASJ-CYBMUJFWSA-N 1 1 327.429 0.602 20 30 ECEDMO Cc1nn(C)c(C)c1CCNC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000331101175 437690537 /nfs/dbraw/zinc/69/05/37/437690537.db2.gz BVGGUCRVLSVIDC-UHFFFAOYSA-N 1 1 337.468 0.882 20 30 ECEDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCO[C@@H](CO)C2)C1 ZINC000331186929 437709969 /nfs/dbraw/zinc/70/99/69/437709969.db2.gz NVQQPIDYIXANDN-CHWSQXEVSA-N 1 1 328.413 0.231 20 30 ECEDMO CNS(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCOCC2)c(C)o1 ZINC000331213037 437717924 /nfs/dbraw/zinc/71/79/24/437717924.db2.gz KXQYKCZCTXWWQM-UHFFFAOYSA-N 1 1 345.421 0.523 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1C#N ZINC000340974438 437765625 /nfs/dbraw/zinc/76/56/25/437765625.db2.gz QUSFNSVOUQDTFK-AWEZNQCLSA-N 1 1 342.399 0.785 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1C#N ZINC000340974438 437765627 /nfs/dbraw/zinc/76/56/27/437765627.db2.gz QUSFNSVOUQDTFK-AWEZNQCLSA-N 1 1 342.399 0.785 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000344873745 437767624 /nfs/dbraw/zinc/76/76/24/437767624.db2.gz HGQQCMTWOYXKCW-HNNXBMFYSA-N 1 1 335.452 0.970 20 30 ECEDMO CC[C@@]1(CO)CCCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000331257584 437727364 /nfs/dbraw/zinc/72/73/64/437727364.db2.gz DDSKQBDBWHYZSS-KRWDZBQOSA-N 1 1 340.468 0.690 20 30 ECEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000331297191 437735272 /nfs/dbraw/zinc/73/52/72/437735272.db2.gz UMMFPFQTSVJWDQ-HZSPNIEDSA-N 1 1 346.497 0.631 20 30 ECEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC(=O)NCC#N)C1 ZINC000344464297 437754847 /nfs/dbraw/zinc/75/48/47/437754847.db2.gz RHDRRQLBBXILQD-HIFRSBDPSA-N 1 1 329.404 0.761 20 30 ECEDMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000356253829 437756954 /nfs/dbraw/zinc/75/69/54/437756954.db2.gz NRNRSSXBWWZSNX-SFHVURJKSA-N 1 1 339.399 0.659 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 ZINC000347021943 437826885 /nfs/dbraw/zinc/82/68/85/437826885.db2.gz XPEXIADKSWPQNA-HNNXBMFYSA-N 1 1 337.468 0.276 20 30 ECEDMO C=CCCS(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363818842 437807371 /nfs/dbraw/zinc/80/73/71/437807371.db2.gz JOLKTKBXARZGSH-UHFFFAOYSA-N 1 1 329.466 0.378 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000346528820 437813254 /nfs/dbraw/zinc/81/32/54/437813254.db2.gz AELNTWCQXRXIQB-XOUADPBQSA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000370795718 437842360 /nfs/dbraw/zinc/84/23/60/437842360.db2.gz LGXXUXJNNHZPAX-ZDUSSCGKSA-N 1 1 331.420 0.383 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000370795718 437842364 /nfs/dbraw/zinc/84/23/64/437842364.db2.gz LGXXUXJNNHZPAX-ZDUSSCGKSA-N 1 1 331.420 0.383 20 30 ECEDMO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCCCC#N ZINC000357158737 437925275 /nfs/dbraw/zinc/92/52/75/437925275.db2.gz XIEGILHMDKASAK-UHFFFAOYSA-N 1 1 330.498 0.968 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[C@@H]2N2CCOCC2)CC1 ZINC000371566446 437957704 /nfs/dbraw/zinc/95/77/04/437957704.db2.gz WUNMOCNLIKUGQO-ROUUACIJSA-N 1 1 333.476 0.949 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000357290870 437958350 /nfs/dbraw/zinc/95/83/50/437958350.db2.gz PHPYWWDKZCVFAE-CQSZACIVSA-N 1 1 346.435 1.265 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000371685217 437978450 /nfs/dbraw/zinc/97/84/50/437978450.db2.gz KDCQZPCXCLLDQP-UHFFFAOYSA-N 1 1 347.481 0.341 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CCC[N@H+](CCCOC)CC1 ZINC000371685217 437978454 /nfs/dbraw/zinc/97/84/54/437978454.db2.gz KDCQZPCXCLLDQP-UHFFFAOYSA-N 1 1 347.481 0.341 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371728967 437983982 /nfs/dbraw/zinc/98/39/82/437983982.db2.gz WSQWQXJIGJIBLW-RRFJBIMHSA-N 1 1 341.477 0.713 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425306235 438020927 /nfs/dbraw/zinc/02/09/27/438020927.db2.gz AAUMDRLBCDBAFJ-HNNXBMFYSA-N 1 1 348.447 0.583 20 30 ECEDMO C=CCn1cc(CNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)nn1 ZINC000425756849 438039438 /nfs/dbraw/zinc/03/94/38/438039438.db2.gz MONDWRPUDGAXLO-AWEZNQCLSA-N 1 1 336.440 0.764 20 30 ECEDMO CN1CCN(C(=O)[C@]2([NH+](C)C)CCOc3ccccc32)C[C@@H]1C#N ZINC000372189400 438047399 /nfs/dbraw/zinc/04/73/99/438047399.db2.gz XRZQIDJNRYAFHB-KSSFIOAISA-N 1 1 328.416 0.892 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000357485689 437998092 /nfs/dbraw/zinc/99/80/92/437998092.db2.gz MFCQKOXTGVXSDJ-GOSISDBHSA-N 1 1 344.459 0.736 20 30 ECEDMO C=CCCC[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417985549 438095957 /nfs/dbraw/zinc/09/59/57/438095957.db2.gz PQEDXORLMLFLHK-ZDUSSCGKSA-N 1 1 344.481 0.360 20 30 ECEDMO CN1CCN(C(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366354313 438058422 /nfs/dbraw/zinc/05/84/22/438058422.db2.gz LJEVAEITZLQBAX-HNNXBMFYSA-N 1 1 329.404 0.180 20 30 ECEDMO CN1CCN(C(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366354313 438058427 /nfs/dbraw/zinc/05/84/27/438058427.db2.gz LJEVAEITZLQBAX-HNNXBMFYSA-N 1 1 329.404 0.180 20 30 ECEDMO C[NH+]1CCN(C(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366354313 438058434 /nfs/dbraw/zinc/05/84/34/438058434.db2.gz LJEVAEITZLQBAX-HNNXBMFYSA-N 1 1 329.404 0.180 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(CCC[N@H+]2CCCO[C@@H](C)C2)C1=O ZINC000348618228 438080107 /nfs/dbraw/zinc/08/01/07/438080107.db2.gz YDKCYGDATMOFLO-KBPBESRZSA-N 1 1 325.409 0.610 20 30 ECEDMO CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000430267633 438108600 /nfs/dbraw/zinc/10/86/00/438108600.db2.gz GLHMOJLLPHQJAN-YJBOKZPZSA-N 1 1 349.479 0.137 20 30 ECEDMO C=CC[N@H+](C)CCN(CC)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000429724828 438105383 /nfs/dbraw/zinc/10/53/83/438105383.db2.gz XMHDMHXLJWNSCR-UHFFFAOYSA-N 1 1 336.480 0.507 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358060883 438138046 /nfs/dbraw/zinc/13/80/46/438138046.db2.gz GCRVPPJNVFIULV-KRWDZBQOSA-N 1 1 332.404 0.391 20 30 ECEDMO CN(C)C(=O)C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000349119182 438136495 /nfs/dbraw/zinc/13/64/95/438136495.db2.gz GGNTWFPNKHPOOG-UHFFFAOYSA-N 1 1 328.416 0.975 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)nn1CCC#N ZINC000349289138 438145645 /nfs/dbraw/zinc/14/56/45/438145645.db2.gz YUBHSRBZPZVMPN-CQSZACIVSA-N 1 1 346.435 0.842 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)nn1CCC#N ZINC000349289138 438145649 /nfs/dbraw/zinc/14/56/49/438145649.db2.gz YUBHSRBZPZVMPN-CQSZACIVSA-N 1 1 346.435 0.842 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000358087215 438147257 /nfs/dbraw/zinc/14/72/57/438147257.db2.gz DNKYTHBMKMTSKQ-GOSISDBHSA-N 1 1 344.415 0.609 20 30 ECEDMO CCOC(=O)[C@](C)(O)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349906711 438187276 /nfs/dbraw/zinc/18/72/76/438187276.db2.gz HETDMVJKPOAMMK-MRXNPFEDSA-N 1 1 335.408 0.036 20 30 ECEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCC(=O)NCC#N ZINC000358267670 438191546 /nfs/dbraw/zinc/19/15/46/438191546.db2.gz AJLRDFVVIVSSEC-UHFFFAOYSA-N 1 1 331.420 0.836 20 30 ECEDMO C=CCN(CCOC)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000358470918 438233629 /nfs/dbraw/zinc/23/36/29/438233629.db2.gz GJOJODAXPNMFJI-UHFFFAOYSA-N 1 1 326.441 0.383 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000374884064 438234996 /nfs/dbraw/zinc/23/49/96/438234996.db2.gz YBSMKSUDLLILFV-MRXNPFEDSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000374884064 438235001 /nfs/dbraw/zinc/23/50/01/438235001.db2.gz YBSMKSUDLLILFV-MRXNPFEDSA-N 1 1 329.404 0.323 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000374310849 438201369 /nfs/dbraw/zinc/20/13/69/438201369.db2.gz QNGCJBBSRMYHNM-UONOGXRCSA-N 1 1 335.408 0.320 20 30 ECEDMO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000367818574 438254675 /nfs/dbraw/zinc/25/46/75/438254675.db2.gz IHMNFMBOUKSLLX-WMLDXEAASA-N 1 1 332.404 0.917 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1CCO ZINC000351413532 438264726 /nfs/dbraw/zinc/26/47/26/438264726.db2.gz LYYDBNNCRVDYMH-RHSMWYFYSA-N 1 1 326.400 0.766 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1CCO ZINC000351413532 438264731 /nfs/dbraw/zinc/26/47/31/438264731.db2.gz LYYDBNNCRVDYMH-RHSMWYFYSA-N 1 1 326.400 0.766 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)C3(C#N)CCOCC3)CC2)CC1 ZINC000369138057 438427206 /nfs/dbraw/zinc/42/72/06/438427206.db2.gz QPVBUCHULOOLEI-UHFFFAOYSA-N 1 1 348.447 0.319 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000369208430 438438741 /nfs/dbraw/zinc/43/87/41/438438741.db2.gz XURZFAIAIKXIDS-QPSCCSFWSA-N 1 1 326.466 0.881 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cc2c(F)cccc2C#N)CC1 ZINC000352694801 438463206 /nfs/dbraw/zinc/46/32/06/438463206.db2.gz ZRJHFHNDFFXBJT-UHFFFAOYSA-N 1 1 346.406 0.909 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3nnc(N)cc3C2)cc1 ZINC000369279244 438449125 /nfs/dbraw/zinc/44/91/25/438449125.db2.gz LHBOEISSDTXVLX-AWEZNQCLSA-N 1 1 325.372 0.728 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3nnc(N)cc3C2)cc1 ZINC000369279244 438449127 /nfs/dbraw/zinc/44/91/27/438449127.db2.gz LHBOEISSDTXVLX-AWEZNQCLSA-N 1 1 325.372 0.728 20 30 ECEDMO Cc1nnc(N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(C#N)c1C ZINC000369346649 438458057 /nfs/dbraw/zinc/45/80/57/438458057.db2.gz NOTZTVFLBXUDGR-OAHLLOKOSA-N 1 1 330.436 0.784 20 30 ECEDMO N#CC1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCCCC1 ZINC000369348246 438458697 /nfs/dbraw/zinc/45/86/97/438458697.db2.gz SGPPGYHPLSFXGF-MRXNPFEDSA-N 1 1 334.464 0.983 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369610317 438496262 /nfs/dbraw/zinc/49/62/62/438496262.db2.gz ZXLAJOANQBUVOW-NSHDSACASA-N 1 1 347.423 0.799 20 30 ECEDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000439343293 438510008 /nfs/dbraw/zinc/51/00/08/438510008.db2.gz DMLQBTNQIVCIPJ-LBPRGKRZSA-N 1 1 346.435 1.001 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(C#N)ccn2)CC1 ZINC000408148729 438523529 /nfs/dbraw/zinc/52/35/29/438523529.db2.gz ICITZLPNSHUSSX-OAHLLOKOSA-N 1 1 327.388 0.332 20 30 ECEDMO Cn1cc(S(=O)(=O)NCC[N@H+](C)Cc2cccc(C#N)c2)cn1 ZINC000441242593 438580636 /nfs/dbraw/zinc/58/06/36/438580636.db2.gz GHJZHVYFPOEDEI-UHFFFAOYSA-N 1 1 333.417 0.702 20 30 ECEDMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)Cc2cccc(C#N)c2)cn1 ZINC000441242593 438580638 /nfs/dbraw/zinc/58/06/38/438580638.db2.gz GHJZHVYFPOEDEI-UHFFFAOYSA-N 1 1 333.417 0.702 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000410807236 438660949 /nfs/dbraw/zinc/66/09/49/438660949.db2.gz HVKMIZYQJZJVGI-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000410807236 438660954 /nfs/dbraw/zinc/66/09/54/438660954.db2.gz HVKMIZYQJZJVGI-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1)C1CC1 ZINC000411967183 438683351 /nfs/dbraw/zinc/68/33/51/438683351.db2.gz HPVWLZQCJYJIHA-RBUKOAKNSA-N 1 1 340.427 0.924 20 30 ECEDMO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)CC2(CC#N)CC2)C1 ZINC000451039827 438695456 /nfs/dbraw/zinc/69/54/56/438695456.db2.gz ZXVQQVQXMIUZRS-CQSZACIVSA-N 1 1 329.466 0.956 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)CC2(CC#N)CC2)C1 ZINC000451039827 438695460 /nfs/dbraw/zinc/69/54/60/438695460.db2.gz ZXVQQVQXMIUZRS-CQSZACIVSA-N 1 1 329.466 0.956 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCCOC(=O)NC(N)=O)c1 ZINC000494676194 438704070 /nfs/dbraw/zinc/70/40/70/438704070.db2.gz GDUNGPTXPNCACH-UHFFFAOYSA-N 1 1 332.360 0.733 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCCOC(=O)NC(N)=O)c1 ZINC000494676194 438704073 /nfs/dbraw/zinc/70/40/73/438704073.db2.gz GDUNGPTXPNCACH-UHFFFAOYSA-N 1 1 332.360 0.733 20 30 ECEDMO N#Cc1ncn(CC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)n1 ZINC000495024921 438715626 /nfs/dbraw/zinc/71/56/26/438715626.db2.gz LLEOJGBLTITRPO-UHFFFAOYSA-N 1 1 340.387 0.663 20 30 ECEDMO Cn1c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc(=O)n(C)c1=O ZINC000548864788 438733977 /nfs/dbraw/zinc/73/39/77/438733977.db2.gz FZHVZQYVZVIOJU-UHFFFAOYSA-N 1 1 339.399 0.536 20 30 ECEDMO C=CCn1c(Cc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000548948335 438735009 /nfs/dbraw/zinc/73/50/09/438735009.db2.gz LCCBTWZVPRZIAR-MRXNPFEDSA-N 1 1 340.431 0.971 20 30 ECEDMO C=CCn1c(Cc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000548948335 438735014 /nfs/dbraw/zinc/73/50/14/438735014.db2.gz LCCBTWZVPRZIAR-MRXNPFEDSA-N 1 1 340.431 0.971 20 30 ECEDMO C=CCC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C1 ZINC000551044156 438737880 /nfs/dbraw/zinc/73/78/80/438737880.db2.gz KSMMLNYVUFAYIN-RBSFLKMASA-N 1 1 328.453 0.632 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC001041730093 782072110 /nfs/dbraw/zinc/07/21/10/782072110.db2.gz JLEOKBHNJLYLCZ-KRWDZBQOSA-N 1 1 330.436 0.744 20 30 ECEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@@H](C)C1 ZINC000554128520 438760343 /nfs/dbraw/zinc/76/03/43/438760343.db2.gz MJKNYHFWLZVRHX-DZKIICNBSA-N 1 1 327.432 1.554 20 30 ECEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1COCCC1N=NC1=[NH+]CCN1 ZINC000497285408 438789383 /nfs/dbraw/zinc/78/93/83/438789383.db2.gz STQVWBJCEMKWGI-GHMZBOCLSA-N 1 1 325.413 0.841 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(CCC#N)CC2)CC1 ZINC000514598846 438816554 /nfs/dbraw/zinc/81/65/54/438816554.db2.gz JQURJFXPAKQAGJ-UHFFFAOYSA-N 1 1 335.452 0.922 20 30 ECEDMO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000558676917 438821691 /nfs/dbraw/zinc/82/16/91/438821691.db2.gz SYRCLTJYUCSFCX-AWEZNQCLSA-N 1 1 329.408 0.385 20 30 ECEDMO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000558676917 438821698 /nfs/dbraw/zinc/82/16/98/438821698.db2.gz SYRCLTJYUCSFCX-AWEZNQCLSA-N 1 1 329.408 0.385 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601130428 438821598 /nfs/dbraw/zinc/82/15/98/438821598.db2.gz JSEWKBFTOJFTJO-HNNXBMFYSA-N 1 1 340.431 0.968 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C)c(C#N)cn2)[C@H](C)C1 ZINC000457708113 438824544 /nfs/dbraw/zinc/82/45/44/438824544.db2.gz NAQVZIGURIGDPZ-CYBMUJFWSA-N 1 1 330.388 0.971 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C)c(C#N)cn2)[C@H](C)C1 ZINC000457708113 438824550 /nfs/dbraw/zinc/82/45/50/438824550.db2.gz NAQVZIGURIGDPZ-CYBMUJFWSA-N 1 1 330.388 0.971 20 30 ECEDMO C=CCC[C@H](CO)NC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000457719930 438825251 /nfs/dbraw/zinc/82/52/51/438825251.db2.gz BYJCZKZUOKXTLQ-OAHLLOKOSA-N 1 1 340.468 0.603 20 30 ECEDMO N#Cc1sccc1N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000595632749 438837081 /nfs/dbraw/zinc/83/70/81/438837081.db2.gz QDPHGFRYDXVGMX-UHFFFAOYSA-N 1 1 333.417 0.684 20 30 ECEDMO C[C@@]1(C#N)CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000595648078 438839144 /nfs/dbraw/zinc/83/91/44/438839144.db2.gz IMGHQWJDNMILNS-INIZCTEOSA-N 1 1 336.436 0.813 20 30 ECEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000578199168 438906416 /nfs/dbraw/zinc/90/64/16/438906416.db2.gz YCWIJMRECKPWAZ-STQMWFEESA-N 1 1 330.454 0.166 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000589179721 438860495 /nfs/dbraw/zinc/86/04/95/438860495.db2.gz GQWUQTRTMXEBRK-UHFFFAOYSA-N 1 1 330.388 0.546 20 30 ECEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC(CO)(CO)C1 ZINC000595801398 438865795 /nfs/dbraw/zinc/86/57/95/438865795.db2.gz WNUIBVVBAJKPNW-SWKXRBFHSA-N 1 1 337.464 0.982 20 30 ECEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC(CO)(CO)C1 ZINC000595801398 438865801 /nfs/dbraw/zinc/86/58/01/438865801.db2.gz WNUIBVVBAJKPNW-SWKXRBFHSA-N 1 1 337.464 0.982 20 30 ECEDMO C=CCC[C@@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000458214667 438865885 /nfs/dbraw/zinc/86/58/85/438865885.db2.gz KGRNFHFFWWJPJX-GJZGRUSLSA-N 1 1 340.468 0.555 20 30 ECEDMO C=CCC[C@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000458214662 438866610 /nfs/dbraw/zinc/86/66/10/438866610.db2.gz KGRNFHFFWWJPJX-CABCVRRESA-N 1 1 340.468 0.555 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000595864045 438872289 /nfs/dbraw/zinc/87/22/89/438872289.db2.gz NPXGPTIAQYBLCX-GFCCVEGCSA-N 1 1 336.344 0.335 20 30 ECEDMO CC[N@H+]1CCCN(S(=O)(=O)N(CCC#N)CCOC)[C@@H](C)C1 ZINC000601439342 438893706 /nfs/dbraw/zinc/89/37/06/438893706.db2.gz DSJNIEHFFGVFCG-AWEZNQCLSA-N 1 1 332.470 0.509 20 30 ECEDMO Cc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)c(C#N)c(N2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]1 ZINC000596237884 438947645 /nfs/dbraw/zinc/94/76/45/438947645.db2.gz JMRCIFFNTDGFEL-QIYORIJCSA-N 1 1 340.427 0.611 20 30 ECEDMO COCC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1ccc(C#N)cc1 ZINC000459322893 438956555 /nfs/dbraw/zinc/95/65/55/438956555.db2.gz IRAIBRBTRVKHMZ-CYBMUJFWSA-N 1 1 330.388 0.947 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000591059855 438980415 /nfs/dbraw/zinc/98/04/15/438980415.db2.gz PVUXWKBZHYRNDK-NHYWBVRUSA-N 1 1 325.434 0.633 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000591059855 438980419 /nfs/dbraw/zinc/98/04/19/438980419.db2.gz PVUXWKBZHYRNDK-NHYWBVRUSA-N 1 1 325.434 0.633 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(C(N)=O)co2)cc1 ZINC000565888561 438986318 /nfs/dbraw/zinc/98/63/18/438986318.db2.gz PQOBJAUITVAUJJ-AWEZNQCLSA-N 1 1 329.356 0.974 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602021012 438998357 /nfs/dbraw/zinc/99/83/57/438998357.db2.gz AYTDTCHAESXBGY-UHFFFAOYSA-N 1 1 336.367 0.720 20 30 ECEDMO Cc1cc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)nn1CCC#N ZINC000596817442 439004093 /nfs/dbraw/zinc/00/40/93/439004093.db2.gz XDXVZJOMPUTPDZ-HNNXBMFYSA-N 1 1 346.435 1.168 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)c1 ZINC000591633784 439038759 /nfs/dbraw/zinc/03/87/59/439038759.db2.gz SONYMJAPXWFLCB-BMFZPTHFSA-N 1 1 335.429 0.824 20 30 ECEDMO C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCO[C@@H](C#N)C1 ZINC000597284157 439072347 /nfs/dbraw/zinc/07/23/47/439072347.db2.gz NEFZMYZWWZGZLF-ILXRZTDVSA-N 1 1 344.419 0.729 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000597317210 439076829 /nfs/dbraw/zinc/07/68/29/439076829.db2.gz GEMQTIUAMWPQCD-OLZOCXBDSA-N 1 1 329.466 0.247 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000597317210 439076832 /nfs/dbraw/zinc/07/68/32/439076832.db2.gz GEMQTIUAMWPQCD-OLZOCXBDSA-N 1 1 329.466 0.247 20 30 ECEDMO CN(C)c1nccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000591759105 439082684 /nfs/dbraw/zinc/08/26/84/439082684.db2.gz UXRXWCICJDUZSL-UHFFFAOYSA-N 1 1 345.428 0.978 20 30 ECEDMO Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c(=O)n1C ZINC000567700687 439167339 /nfs/dbraw/zinc/16/73/39/439167339.db2.gz OTLMVIOYBCIIKY-UHFFFAOYSA-N 1 1 346.412 0.524 20 30 ECEDMO CC(C)[NH+]1CC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000521574441 439122464 /nfs/dbraw/zinc/12/24/64/439122464.db2.gz WSNCAJYJKHDNNT-UHFFFAOYSA-N 1 1 336.417 0.045 20 30 ECEDMO N#CCCN1CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000602799503 439136918 /nfs/dbraw/zinc/13/69/18/439136918.db2.gz PVJWWHSCMIVGLW-CQSZACIVSA-N 1 1 342.399 0.175 20 30 ECEDMO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000602933404 439164102 /nfs/dbraw/zinc/16/41/02/439164102.db2.gz CIHDBRPHZYJVTN-DZKIICNBSA-N 1 1 340.420 0.710 20 30 ECEDMO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000602933404 439164108 /nfs/dbraw/zinc/16/41/08/439164108.db2.gz CIHDBRPHZYJVTN-DZKIICNBSA-N 1 1 340.420 0.710 20 30 ECEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000592184244 439174766 /nfs/dbraw/zinc/17/47/66/439174766.db2.gz IQIIFLSFXHPBLX-CYBMUJFWSA-N 1 1 334.342 0.749 20 30 ECEDMO CN1CCN(C(=O)C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000602989315 439178668 /nfs/dbraw/zinc/17/86/68/439178668.db2.gz LAWYBFOXCGHQFD-INIZCTEOSA-N 1 1 346.431 0.004 20 30 ECEDMO CN1CCN(C(=O)C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000602989315 439178674 /nfs/dbraw/zinc/17/86/74/439178674.db2.gz LAWYBFOXCGHQFD-INIZCTEOSA-N 1 1 346.431 0.004 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000567888497 439191885 /nfs/dbraw/zinc/19/18/85/439191885.db2.gz HMTYCXKWRYSZAC-INIZCTEOSA-N 1 1 329.360 0.612 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)nn1CCC#N ZINC000488617523 439193643 /nfs/dbraw/zinc/19/36/43/439193643.db2.gz FWGWOINKMLRUOT-CQSZACIVSA-N 1 1 346.435 0.842 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)nn1CCC#N ZINC000488617523 439193648 /nfs/dbraw/zinc/19/36/48/439193648.db2.gz FWGWOINKMLRUOT-CQSZACIVSA-N 1 1 346.435 0.842 20 30 ECEDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000592388930 439218127 /nfs/dbraw/zinc/21/81/27/439218127.db2.gz PRMVRLUFHABDGI-CQSZACIVSA-N 1 1 337.401 0.225 20 30 ECEDMO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000598597213 439284214 /nfs/dbraw/zinc/28/42/14/439284214.db2.gz POLNYIJJVIHXBX-CQSZACIVSA-N 1 1 332.404 0.846 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c[nH]1 ZINC000603412673 439256433 /nfs/dbraw/zinc/25/64/33/439256433.db2.gz RYBKGDKTGRLMAO-HNNXBMFYSA-N 1 1 331.420 0.413 20 30 ECEDMO Cc1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(C#N)cn1 ZINC000603423946 439260394 /nfs/dbraw/zinc/26/03/94/439260394.db2.gz RQLXHWUNQFMKPM-QGZVFWFLSA-N 1 1 329.448 0.892 20 30 ECEDMO CC(=O)N1CCN([C@@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H]2C)CC1 ZINC000598597570 439284684 /nfs/dbraw/zinc/28/46/84/439284684.db2.gz YXULPQNAPHFAKA-HYVNUMGLSA-N 1 1 336.480 0.772 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000568697009 439269132 /nfs/dbraw/zinc/26/91/32/439269132.db2.gz DWBXMKKEABAHJH-UHFFFAOYSA-N 1 1 330.454 0.010 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000491070524 439328910 /nfs/dbraw/zinc/32/89/10/439328910.db2.gz CVOBOHFYIVLCCY-RYUDHWBXSA-N 1 1 333.354 0.905 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)OCC ZINC000491072362 439329064 /nfs/dbraw/zinc/32/90/64/439329064.db2.gz ROSJZIMBJLJCNU-UHFFFAOYSA-N 1 1 345.399 0.873 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000491126653 439334730 /nfs/dbraw/zinc/33/47/30/439334730.db2.gz QRDQXHIXSMUERC-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000491126652 439335026 /nfs/dbraw/zinc/33/50/26/439335026.db2.gz QRDIGPAQYIHSGV-UHFFFAOYSA-N 1 1 328.372 0.577 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000491125754 439335962 /nfs/dbraw/zinc/33/59/62/439335962.db2.gz GTQGHIYDLCBKMA-KBPBESRZSA-N 1 1 347.381 0.257 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000491125754 439335967 /nfs/dbraw/zinc/33/59/67/439335967.db2.gz GTQGHIYDLCBKMA-KBPBESRZSA-N 1 1 347.381 0.257 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000491126927 439337750 /nfs/dbraw/zinc/33/77/50/439337750.db2.gz UPEGXTAANWULCV-KRWDZBQOSA-N 1 1 345.443 0.102 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000490657193 439285177 /nfs/dbraw/zinc/28/51/77/439285177.db2.gz QUNUHDAMBYLJKI-UHFFFAOYSA-N 1 1 332.492 0.572 20 30 ECEDMO C[C@](C#N)(NC(=O)CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000603847939 439285790 /nfs/dbraw/zinc/28/57/90/439285790.db2.gz FZZVPPAYSFMOPP-FUHWJXTLSA-N 1 1 334.464 0.982 20 30 ECEDMO N#CC[C@]1(O)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000592846568 439290776 /nfs/dbraw/zinc/29/07/76/439290776.db2.gz XNYCENPFXFSQCH-AEFFLSMTSA-N 1 1 329.400 0.764 20 30 ECEDMO N#CC[C@]1(O)CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000592846568 439290780 /nfs/dbraw/zinc/29/07/80/439290780.db2.gz XNYCENPFXFSQCH-AEFFLSMTSA-N 1 1 329.400 0.764 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H](CO)C2)CC1 ZINC000598648478 439296754 /nfs/dbraw/zinc/29/67/54/439296754.db2.gz SAOFHDIYCWBFBW-BBWFWOEESA-N 1 1 336.480 0.629 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC000490779926 439297347 /nfs/dbraw/zinc/29/73/47/439297347.db2.gz CKFRXRUEWYMEHQ-INIZCTEOSA-N 1 1 329.448 0.062 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000490898855 439309404 /nfs/dbraw/zinc/30/94/04/439309404.db2.gz MJZYNHSJCHXXDI-OLZOCXBDSA-N 1 1 330.450 0.591 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CC[N@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490912790 439309687 /nfs/dbraw/zinc/30/96/87/439309687.db2.gz AZLQVMOIASUNFO-CABCVRRESA-N 1 1 341.477 0.550 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000491298537 439365592 /nfs/dbraw/zinc/36/55/92/439365592.db2.gz VWLQSEBSFPVSTH-INIZCTEOSA-N 1 1 348.451 0.260 20 30 ECEDMO C#CCNC(=O)CCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000491155310 439339373 /nfs/dbraw/zinc/33/93/73/439339373.db2.gz QNBSEAYYHOEWRT-UHFFFAOYSA-N 1 1 342.487 0.876 20 30 ECEDMO C#CCNC(=O)CCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000491155310 439339379 /nfs/dbraw/zinc/33/93/79/439339379.db2.gz QNBSEAYYHOEWRT-UHFFFAOYSA-N 1 1 342.487 0.876 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC000491192358 439346044 /nfs/dbraw/zinc/34/60/44/439346044.db2.gz NPKRAHHZRYJYOS-UHFFFAOYSA-N 1 1 336.480 0.392 20 30 ECEDMO C#CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000491230812 439354353 /nfs/dbraw/zinc/35/43/53/439354353.db2.gz PDIJGNDTXQKXTP-GJZGRUSLSA-N 1 1 343.493 0.939 20 30 ECEDMO C[C@]1(CO)C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@]1(C)CO ZINC000528752360 439369487 /nfs/dbraw/zinc/36/94/87/439369487.db2.gz XOVOSAPPIZWOKC-QRQLOZEOSA-N 1 1 348.443 0.805 20 30 ECEDMO CNc1cc2c(nn1)CC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C2 ZINC000599287299 439418582 /nfs/dbraw/zinc/41/85/82/439418582.db2.gz KYBQXTUCWWKIPM-AWEZNQCLSA-N 1 1 331.420 0.948 20 30 ECEDMO CNc1cc2c(nn1)CC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C2 ZINC000599287299 439418585 /nfs/dbraw/zinc/41/85/85/439418585.db2.gz KYBQXTUCWWKIPM-AWEZNQCLSA-N 1 1 331.420 0.948 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000491811430 439455493 /nfs/dbraw/zinc/45/54/93/439455493.db2.gz LKUPICSTWFGMLL-WMLDXEAASA-N 1 1 345.447 0.319 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cn1cnc2c(C)cccc2c1=O ZINC000491674295 439424568 /nfs/dbraw/zinc/42/45/68/439424568.db2.gz KHRXQJDDFHBHCJ-UHFFFAOYSA-N 1 1 326.400 0.776 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)NCC(F)(F)C[NH3+])n1 ZINC000491669305 439424630 /nfs/dbraw/zinc/42/46/30/439424630.db2.gz ZUIZNENDGUIEFT-UHFFFAOYSA-N 1 1 329.351 0.268 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)CC1 ZINC000491670633 439424705 /nfs/dbraw/zinc/42/47/05/439424705.db2.gz ZFYHTOFQQLCVLI-JENIJYKNSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)CC1 ZINC000491670633 439424712 /nfs/dbraw/zinc/42/47/12/439424712.db2.gz ZFYHTOFQQLCVLI-JENIJYKNSA-N 1 1 349.475 0.422 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000570580470 439431850 /nfs/dbraw/zinc/43/18/50/439431850.db2.gz XGPOGLJZGSGUHQ-UONOGXRCSA-N 1 1 338.452 0.572 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000491716983 439434349 /nfs/dbraw/zinc/43/43/49/439434349.db2.gz VIPKZBCSHGSYGC-UHFFFAOYSA-N 1 1 326.400 0.969 20 30 ECEDMO C#C[C@H]1COCCN1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000491742599 439438698 /nfs/dbraw/zinc/43/86/98/439438698.db2.gz QNXOAYNNIZQIBN-KRWDZBQOSA-N 1 1 342.443 0.852 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000570740893 439446469 /nfs/dbraw/zinc/44/64/69/439446469.db2.gz RXWDZGFNFFAHTF-UONOGXRCSA-N 1 1 344.481 0.508 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000570740893 439446473 /nfs/dbraw/zinc/44/64/73/439446473.db2.gz RXWDZGFNFFAHTF-UONOGXRCSA-N 1 1 344.481 0.508 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1nnn(Cc2noc(C)n2)c1C ZINC000491789981 439450893 /nfs/dbraw/zinc/45/08/93/439450893.db2.gz WVJGTFIUSMALAB-UHFFFAOYSA-N 1 1 331.380 0.011 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599414777 439462054 /nfs/dbraw/zinc/46/20/54/439462054.db2.gz IERYGDDWYWGPCA-AWEZNQCLSA-N 1 1 332.470 0.415 20 30 ECEDMO C[C@](O)(CNC(=O)/C=C/c1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000492103100 439497299 /nfs/dbraw/zinc/49/72/99/439497299.db2.gz KVKIQHLZZXGPEP-DKFQHHCZSA-N 1 1 329.400 0.771 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599559131 439504430 /nfs/dbraw/zinc/50/44/30/439504430.db2.gz SBDMMFUXSYYGIV-YOEHRIQHSA-N 1 1 334.372 0.562 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000599563746 439506830 /nfs/dbraw/zinc/50/68/30/439506830.db2.gz CXNVRMRCZGQCOW-QAPCUYQASA-N 1 1 343.383 0.927 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000599563746 439506834 /nfs/dbraw/zinc/50/68/34/439506834.db2.gz CXNVRMRCZGQCOW-QAPCUYQASA-N 1 1 343.383 0.927 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000491820795 439458098 /nfs/dbraw/zinc/45/80/98/439458098.db2.gz SQWAHJIHUSYBOX-LJQANCHMSA-N 1 1 349.475 0.818 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)n(CCC#N)n1 ZINC000532999504 439522013 /nfs/dbraw/zinc/52/20/13/439522013.db2.gz JBLHTPLNLXZOQA-ZDUSSCGKSA-N 1 1 346.435 0.892 20 30 ECEDMO CC[C@@H](CC#N)[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000571535148 439512122 /nfs/dbraw/zinc/51/21/22/439512122.db2.gz KBZBFTLKZHSUIX-ZDUSSCGKSA-N 1 1 330.392 0.785 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000594484057 439569705 /nfs/dbraw/zinc/56/97/05/439569705.db2.gz QTKAXVIIEFKCIL-MGPQQGTHSA-N 1 1 328.438 0.062 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609531341 439573009 /nfs/dbraw/zinc/57/30/09/439573009.db2.gz QUFVLYJHXBTIJZ-MSOLQXFVSA-N 1 1 341.459 0.889 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000609672623 439585221 /nfs/dbraw/zinc/58/52/21/439585221.db2.gz NHKXEWHXEIYJPD-UHFFFAOYSA-N 1 1 344.415 0.517 20 30 ECEDMO C=CCn1cc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nn1 ZINC000584466160 439592028 /nfs/dbraw/zinc/59/20/28/439592028.db2.gz XAQWHFRJKWUPKA-JKSUJKDBSA-N 1 1 348.451 0.907 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000610932896 439659437 /nfs/dbraw/zinc/65/94/37/439659437.db2.gz XNQDMIQUCYOCRN-UHFFFAOYSA-N 1 1 340.427 0.916 20 30 ECEDMO N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000586811383 439661436 /nfs/dbraw/zinc/66/14/36/439661436.db2.gz ZSWYKXIPZPURQD-CYBMUJFWSA-N 1 1 330.363 0.666 20 30 ECEDMO N#Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cnc1C(F)(F)F ZINC000600809465 439705909 /nfs/dbraw/zinc/70/59/09/439705909.db2.gz YXSUQSGGFHAKMR-NSHDSACASA-N 1 1 328.294 0.768 20 30 ECEDMO C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000612136918 439677946 /nfs/dbraw/zinc/67/79/46/439677946.db2.gz UYHZYQALBGGKLB-SJLPKXTDSA-N 1 1 349.479 0.728 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000574032882 439678974 /nfs/dbraw/zinc/67/89/74/439678974.db2.gz JQJJXAKDOXNWDC-JONQDZQNSA-N 1 1 335.448 0.779 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000613262838 439753898 /nfs/dbraw/zinc/75/38/98/439753898.db2.gz KWOWQFFJUXTJEP-CYBMUJFWSA-N 1 1 340.449 0.034 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000613262838 439753899 /nfs/dbraw/zinc/75/38/99/439753899.db2.gz KWOWQFFJUXTJEP-CYBMUJFWSA-N 1 1 340.449 0.034 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000613790143 439764019 /nfs/dbraw/zinc/76/40/19/439764019.db2.gz KKEURZFUWWFILZ-DZGCQCFKSA-N 1 1 325.453 0.761 20 30 ECEDMO N#CC[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000595492578 439734302 /nfs/dbraw/zinc/73/43/02/439734302.db2.gz XCNQUHSNYVTPIC-HUUCEWRRSA-N 1 1 335.452 0.909 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1O ZINC000615431315 439800577 /nfs/dbraw/zinc/80/05/77/439800577.db2.gz FJFLHSJVWXIMAI-HNNXBMFYSA-N 1 1 342.399 0.818 20 30 ECEDMO C=CCCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000658387968 439912414 /nfs/dbraw/zinc/91/24/14/439912414.db2.gz MLWVLLBPOXNZRD-UHFFFAOYSA-N 1 1 344.415 0.705 20 30 ECEDMO C=CCn1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nn1 ZINC000648857746 440344207 /nfs/dbraw/zinc/34/42/07/440344207.db2.gz PAIBBJUUVCTTCF-MRXNPFEDSA-N 1 1 341.415 0.961 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000649187622 440410229 /nfs/dbraw/zinc/41/02/29/440410229.db2.gz UHGQNWXZGRSCQR-ARFHVFGLSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CCOCCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000666521035 440652743 /nfs/dbraw/zinc/65/27/43/440652743.db2.gz LNODKBIONXTZGB-OAHLLOKOSA-N 1 1 338.452 0.527 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C1=O ZINC000660465485 440660311 /nfs/dbraw/zinc/66/03/11/440660311.db2.gz ZDSVDZNXVYEIDG-HNNXBMFYSA-N 1 1 337.445 0.813 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C1=O ZINC000660465485 440660316 /nfs/dbraw/zinc/66/03/16/440660316.db2.gz ZDSVDZNXVYEIDG-HNNXBMFYSA-N 1 1 337.445 0.813 20 30 ECEDMO C=CCN1CC[C@H](N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCN(CC=C)C2=O)C1=O ZINC000640049908 440862365 /nfs/dbraw/zinc/86/23/65/440862365.db2.gz UAAWGTQBLNQARO-QAETUUGQSA-N 1 1 344.459 0.319 20 30 ECEDMO C=CCN1CC[C@H](N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCN(CC=C)C2=O)C1=O ZINC000640049908 440862369 /nfs/dbraw/zinc/86/23/69/440862369.db2.gz UAAWGTQBLNQARO-QAETUUGQSA-N 1 1 344.459 0.319 20 30 ECEDMO C=CCCn1cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)nn1 ZINC000657463779 441008887 /nfs/dbraw/zinc/00/88/87/441008887.db2.gz PYJPRCUPPZEZFM-CQSZACIVSA-N 1 1 327.454 0.758 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC[NH+](CCCO)CC1 ZINC000641323245 441094173 /nfs/dbraw/zinc/09/41/73/441094173.db2.gz DNUZISKGBGOXFX-UHFFFAOYSA-N 1 1 339.461 0.655 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000317056985 320708625 /nfs/dbraw/zinc/70/86/25/320708625.db2.gz XPQQBRKIUXDAPQ-CYBMUJFWSA-N 1 1 342.442 0.499 20 30 ECEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@H]3CN3CCOCC3)cnc12 ZINC000563810320 322345556 /nfs/dbraw/zinc/34/55/56/322345556.db2.gz FPAXCFSENCITAL-INIZCTEOSA-N 1 1 326.404 0.898 20 30 ECEDMO CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000564755201 322391379 /nfs/dbraw/zinc/39/13/79/322391379.db2.gz ROQJGASLPDFXQH-OAHLLOKOSA-N 1 1 334.445 0.895 20 30 ECEDMO CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000564755201 322391381 /nfs/dbraw/zinc/39/13/81/322391381.db2.gz ROQJGASLPDFXQH-OAHLLOKOSA-N 1 1 334.445 0.895 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC001041754538 782132427 /nfs/dbraw/zinc/13/24/27/782132427.db2.gz BDGHHAJPKSLAEZ-IBGZPJMESA-N 1 1 342.443 0.808 20 30 ECEDMO O=C(C[NH+]1CCC(C(=O)N2CCOCC2)CC1)NC[C@H]1CCCO1 ZINC000328743236 546004598 /nfs/dbraw/zinc/00/45/98/546004598.db2.gz JWQJDYKUQZDVMD-OAHLLOKOSA-N 1 1 339.436 0.693 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000328805112 546006963 /nfs/dbraw/zinc/00/69/63/546006963.db2.gz NCNVGBOPAVIKSJ-MRVWCRGKSA-N 1 1 344.481 0.397 20 30 ECEDMO Cc1noc([C@@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)n1 ZINC000329418769 546023919 /nfs/dbraw/zinc/02/39/19/546023919.db2.gz DTZYZIMZAALCAJ-KGLIPLIRSA-N 1 1 336.440 0.717 20 30 ECEDMO CC[NH+]1CCC(NC(=O)CN2CCO[C@H](c3n[nH]c(C)n3)C2)CC1 ZINC000329621668 546029347 /nfs/dbraw/zinc/02/93/47/546029347.db2.gz GZBBKQLCBAFOSU-AWEZNQCLSA-N 1 1 336.440 0.927 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cc1 ZINC000619574298 546342759 /nfs/dbraw/zinc/34/27/59/546342759.db2.gz OMFLDICXHQIYBG-JKSUJKDBSA-N 1 1 344.390 0.933 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000619710077 546359608 /nfs/dbraw/zinc/35/96/08/546359608.db2.gz BLEMZISMVYXCEJ-HNNXBMFYSA-N 1 1 343.497 0.179 20 30 ECEDMO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCN1CCCC1=O ZINC000625164709 547034254 /nfs/dbraw/zinc/03/42/54/547034254.db2.gz KEIRKDBWJCIJBG-UHFFFAOYSA-N 1 1 339.395 0.840 20 30 ECEDMO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCN1CCCC1=O ZINC000625164709 547034260 /nfs/dbraw/zinc/03/42/60/547034260.db2.gz KEIRKDBWJCIJBG-UHFFFAOYSA-N 1 1 339.395 0.840 20 30 ECEDMO CN(C)C(=O)C1([NH2+]CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000625470782 547110404 /nfs/dbraw/zinc/11/04/04/547110404.db2.gz LDXMFACYXQJSSI-UHFFFAOYSA-N 1 1 325.368 0.496 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000625517873 547133441 /nfs/dbraw/zinc/13/34/41/547133441.db2.gz QYNCVWJDPQAHCK-LSDHHAIUSA-N 1 1 339.395 0.037 20 30 ECEDMO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+](CCOC)CC1 ZINC000669039442 547817878 /nfs/dbraw/zinc/81/78/78/547817878.db2.gz NZLOSVMEXRPDMP-UHFFFAOYSA-N 1 1 332.412 0.028 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685341722 549683522 /nfs/dbraw/zinc/68/35/22/549683522.db2.gz FXZDAEBWSZFFBM-GDBMZVCRSA-N 1 1 349.431 0.672 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685341722 549683525 /nfs/dbraw/zinc/68/35/25/549683525.db2.gz FXZDAEBWSZFFBM-GDBMZVCRSA-N 1 1 349.431 0.672 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)cn1 ZINC001078032201 782179657 /nfs/dbraw/zinc/17/96/57/782179657.db2.gz CKTOBCRFPMSBCC-KZNAEPCWSA-N 1 1 343.427 0.797 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC001041777115 782181023 /nfs/dbraw/zinc/18/10/23/782181023.db2.gz HWVKNZKUXUWQFI-QAPCUYQASA-N 1 1 343.431 0.801 20 30 ECEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000751427417 579367906 /nfs/dbraw/zinc/36/79/06/579367906.db2.gz DIQNKYCDDSTFGQ-YQTDRKPDSA-N 1 1 346.431 0.988 20 30 ECEDMO N#Cc1ncn(-c2ccccc2NC(=O)CC[NH+]2CCOCC2)n1 ZINC000752991480 579393206 /nfs/dbraw/zinc/39/32/06/579393206.db2.gz WHMHXGPZQXYTEI-UHFFFAOYSA-N 1 1 326.360 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000756551632 579451243 /nfs/dbraw/zinc/45/12/43/579451243.db2.gz OVOQJGOSIGNSQM-ZIAGYGMSSA-N 1 1 328.434 0.441 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000756550701 579451275 /nfs/dbraw/zinc/45/12/75/579451275.db2.gz MASRDBYYARQHOM-LBPRGKRZSA-N 1 1 343.387 0.642 20 30 ECEDMO COc1cc(C=NN2CC[NH+](C)CC2)cc(OC)c1OCC(N)=O ZINC000730542663 578307426 /nfs/dbraw/zinc/30/74/26/578307426.db2.gz ZFTHQMXEXSRCRB-UHFFFAOYSA-N 1 1 336.392 0.149 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2noc(CC)n2)CC1 ZINC000732089054 578319115 /nfs/dbraw/zinc/31/91/15/578319115.db2.gz OYKCIQNQGFIPPA-AWEZNQCLSA-N 1 1 331.420 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2noc(CC)n2)CC1 ZINC000732089054 578319116 /nfs/dbraw/zinc/31/91/16/578319116.db2.gz OYKCIQNQGFIPPA-AWEZNQCLSA-N 1 1 331.420 0.374 20 30 ECEDMO CCOCCC[N@H+]1CCC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)[C@H](C)C1 ZINC000735229694 578380592 /nfs/dbraw/zinc/38/05/92/578380592.db2.gz OAURKGPCROANKF-LLVKDONJSA-N 1 1 347.423 0.968 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc(C#N)o2)C1 ZINC000796151897 578623119 /nfs/dbraw/zinc/62/31/19/578623119.db2.gz CAOKKOXIISLESA-AWEZNQCLSA-N 1 1 349.387 0.781 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000798365571 578644727 /nfs/dbraw/zinc/64/47/27/578644727.db2.gz VNFGUCSYZDENSX-SFHVURJKSA-N 1 1 344.459 0.882 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)NCc2ccc(C#N)cn2)CC1(C)C ZINC000799396767 578664442 /nfs/dbraw/zinc/66/44/42/578664442.db2.gz OVCNAYRJSOOQFA-UHFFFAOYSA-N 1 1 330.436 0.778 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)C1 ZINC000780657957 578698755 /nfs/dbraw/zinc/69/87/55/578698755.db2.gz FXWUNYZSAZRRIP-QGZVFWFLSA-N 1 1 342.447 0.875 20 30 ECEDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780954375 578703620 /nfs/dbraw/zinc/70/36/20/578703620.db2.gz DPAULDNODSEKRN-SUMWQHHRSA-N 1 1 345.399 0.687 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000782035752 578719158 /nfs/dbraw/zinc/71/91/58/578719158.db2.gz WSIJPRAJUUVQPW-OALUTQOASA-N 1 1 341.455 0.967 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCO1 ZINC000787706948 578814100 /nfs/dbraw/zinc/81/41/00/578814100.db2.gz PMLLWLRZGGHGMI-VVLHAWIVSA-N 1 1 349.475 0.768 20 30 ECEDMO COC(=O)COc1ccc(C=NN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000788698629 578842892 /nfs/dbraw/zinc/84/28/92/578842892.db2.gz GLXKGVYTERQHBK-UHFFFAOYSA-N 1 1 336.348 0.728 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1CCCc2c[nH]nc21 ZINC000788967486 578846365 /nfs/dbraw/zinc/84/63/65/578846365.db2.gz ZFTFAGDQVHSZRI-UHFFFAOYSA-N 1 1 336.465 0.637 20 30 ECEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)NCC[N@@H+]1CC=CCC1 ZINC000793003236 578919633 /nfs/dbraw/zinc/91/96/33/578919633.db2.gz FWJNFIPVNOOLSC-CCEZHUSRSA-N 1 1 333.392 0.074 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000774165452 579241488 /nfs/dbraw/zinc/24/14/88/579241488.db2.gz OHPXUGVIAQNLLN-KFWWJZLASA-N 1 1 339.461 0.445 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[C@H]1CCCO1 ZINC000774824558 579257015 /nfs/dbraw/zinc/25/70/15/579257015.db2.gz KBQCESAVVJFMFA-MELADBBJSA-N 1 1 333.388 0.296 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)[C@@H]1CCCOC1 ZINC000779760002 579320273 /nfs/dbraw/zinc/32/02/73/579320273.db2.gz PNQGQMUOYILQLA-CQSZACIVSA-N 1 1 328.482 0.975 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000779760001 579320289 /nfs/dbraw/zinc/32/02/89/579320289.db2.gz PNQGQMUOYILQLA-AWEZNQCLSA-N 1 1 328.482 0.975 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000761753957 579531674 /nfs/dbraw/zinc/53/16/74/579531674.db2.gz KXDKZBJWKCDKAG-UHFFFAOYSA-N 1 1 343.383 0.093 20 30 ECEDMO Cc1cc(C=NNS(C)(=O)=O)c(C)n1CC[NH+]1CCOCC1 ZINC000764709435 579579444 /nfs/dbraw/zinc/57/94/44/579579444.db2.gz YXEWFNJRDQEICB-UHFFFAOYSA-N 1 1 328.438 0.320 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000746189646 579832287 /nfs/dbraw/zinc/83/22/87/579832287.db2.gz ASIPXVOSJVCJMR-UHFFFAOYSA-N 1 1 335.429 0.424 20 30 ECEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746288248 579835376 /nfs/dbraw/zinc/83/53/76/579835376.db2.gz VIBVPPLIVAWRQO-VLUKHXRESA-N 1 1 334.420 0.702 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[N@H+]1CCCC[C@@H]1C ZINC000746353847 579836638 /nfs/dbraw/zinc/83/66/38/579836638.db2.gz LHFPMQZXEYJQCU-QWHCGFSZSA-N 1 1 332.408 0.724 20 30 ECEDMO C#CC[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)OC ZINC000837941652 588966447 /nfs/dbraw/zinc/96/64/47/588966447.db2.gz ICLYFMGRHNCCBY-MAUKXSAKSA-N 1 1 330.384 0.305 20 30 ECEDMO C=C(C[NH+](C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C ZINC000840562289 588969890 /nfs/dbraw/zinc/96/98/90/588969890.db2.gz DBOCSHKQERYAOY-GFCCVEGCSA-N 1 1 346.449 0.072 20 30 ECEDMO C#CC[C@H]1NC(=O)N(Cc2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000842236326 589023971 /nfs/dbraw/zinc/02/39/71/589023971.db2.gz RPXOOTQMELYUJF-MRXNPFEDSA-N 1 1 327.384 0.963 20 30 ECEDMO Cc1c(C[NH2+][C@@H]2CCCN(O)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000895165122 586167482 /nfs/dbraw/zinc/16/74/82/586167482.db2.gz IJBMOWHGHSTXAX-OAHLLOKOSA-N 1 1 330.388 0.954 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CCCCCC#N)CC2)CC1 ZINC000896233609 586230344 /nfs/dbraw/zinc/23/03/44/586230344.db2.gz YJCABJHAQDXMRC-UHFFFAOYSA-N 1 1 335.452 0.972 20 30 ECEDMO N#Cc1cnn2cc(CNC[C@@H]3CC[N@@H+]3C3CCOCC3)cnc12 ZINC000897231443 586289635 /nfs/dbraw/zinc/28/96/35/586289635.db2.gz XCNZARDRVGQQGO-INIZCTEOSA-N 1 1 326.404 0.944 20 30 ECEDMO N#Cc1cnn2cc(CNC[C@@H]3CC[N@H+]3C3CCOCC3)cnc12 ZINC000897231443 586289637 /nfs/dbraw/zinc/28/96/37/586289637.db2.gz XCNZARDRVGQQGO-INIZCTEOSA-N 1 1 326.404 0.944 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cnn(C)c1Br ZINC000867311201 589042022 /nfs/dbraw/zinc/04/20/22/589042022.db2.gz LSQUIZRXFSKRTK-UHFFFAOYSA-N 1 1 349.254 0.416 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CCCC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000897551508 586343551 /nfs/dbraw/zinc/34/35/51/586343551.db2.gz ZKWVJFJWSPXNSX-HUUCEWRRSA-N 1 1 341.477 0.550 20 30 ECEDMO C[C@H](NC(=O)N1CCC2(CC1)CC(=O)C=CO2)[C@H]1C[N@H+](C)CCO1 ZINC000893764052 586357914 /nfs/dbraw/zinc/35/79/14/586357914.db2.gz HOBKYHLWNURPKW-DZGCQCFKSA-N 1 1 337.420 0.753 20 30 ECEDMO C[C@H](NC(=O)N1CCC2(CC1)CC(=O)C=CO2)[C@H]1C[N@@H+](C)CCO1 ZINC000893764052 586357917 /nfs/dbraw/zinc/35/79/17/586357917.db2.gz HOBKYHLWNURPKW-DZGCQCFKSA-N 1 1 337.420 0.753 20 30 ECEDMO Cc1cc(C#N)cc(C)c1C[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC000894451658 586394855 /nfs/dbraw/zinc/39/48/55/586394855.db2.gz GAIVQAVIYVZMEY-UHFFFAOYSA-N 1 1 339.403 0.506 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)[C@]2(C#N)CCCOC2)C1 ZINC000898250726 586409665 /nfs/dbraw/zinc/40/96/65/586409665.db2.gz XCBMTEOFCQMQNT-INIZCTEOSA-N 1 1 325.409 0.112 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)c2cc(C)c(C#N)cn2)C1 ZINC000898251003 586409708 /nfs/dbraw/zinc/40/97/08/586409708.db2.gz FWGDJSSECSEIBQ-UHFFFAOYSA-N 1 1 332.404 0.681 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000843250288 589056210 /nfs/dbraw/zinc/05/62/10/589056210.db2.gz FXOFLNIWEBGHMG-JKSUJKDBSA-N 1 1 349.475 0.552 20 30 ECEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900135650 586526151 /nfs/dbraw/zinc/52/61/51/586526151.db2.gz XNHHVROCGIXRIQ-WMZOPIPTSA-N 1 1 331.416 0.988 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000843250288 589056208 /nfs/dbraw/zinc/05/62/08/589056208.db2.gz FXOFLNIWEBGHMG-JKSUJKDBSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000843253624 589056851 /nfs/dbraw/zinc/05/68/51/589056851.db2.gz KTVGUKXCLRTSLI-BBWFWOEESA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000843253624 589056853 /nfs/dbraw/zinc/05/68/53/589056853.db2.gz KTVGUKXCLRTSLI-BBWFWOEESA-N 1 1 349.475 0.816 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000900483186 586635234 /nfs/dbraw/zinc/63/52/34/586635234.db2.gz CGJFTBBTHLUELB-RDTXWAMCSA-N 1 1 346.406 0.801 20 30 ECEDMO CC(C)N1CC[NH+](CCCC(=O)N2CCN(C(=O)CC#N)CC2)CC1 ZINC000901075583 586689845 /nfs/dbraw/zinc/68/98/45/586689845.db2.gz LVRGQOFWYAYFED-UHFFFAOYSA-N 1 1 349.479 0.377 20 30 ECEDMO C[NH+](C)C1(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000904186019 586832020 /nfs/dbraw/zinc/83/20/20/586832020.db2.gz NSYJFZHPFBGSHE-UHFFFAOYSA-N 1 1 331.372 0.985 20 30 ECEDMO C#CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000906376124 586944820 /nfs/dbraw/zinc/94/48/20/586944820.db2.gz KPJFQDBRQWFTSY-LSDHHAIUSA-N 1 1 326.462 0.757 20 30 ECEDMO C=CCN1CCN(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)C1=O ZINC000839973146 587024508 /nfs/dbraw/zinc/02/45/08/587024508.db2.gz IZYOKRJDILMYFW-GJZGRUSLSA-N 1 1 338.452 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN1C(=O)c2ccccc2C1=O ZINC000804611749 587088918 /nfs/dbraw/zinc/08/89/18/587088918.db2.gz CBTYVESYCYNMDT-INIZCTEOSA-N 1 1 339.395 0.887 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN1C(=O)c2ccccc2C1=O ZINC000804611749 587088919 /nfs/dbraw/zinc/08/89/19/587088919.db2.gz CBTYVESYCYNMDT-INIZCTEOSA-N 1 1 339.395 0.887 20 30 ECEDMO CCCC1N=NC(=S)N1N=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000808008916 587141377 /nfs/dbraw/zinc/14/13/77/587141377.db2.gz XOJALWFLAASKHB-UHFFFAOYSA-N 1 1 346.464 0.943 20 30 ECEDMO C[C@@H]1CN(Cn2cc3c(c(C#N)c2=O)CCC3)C[C@H](C)[N@@H+]1CCO ZINC000840134292 587152978 /nfs/dbraw/zinc/15/29/78/587152978.db2.gz MFIJXPDDJZBTBF-OKILXGFUSA-N 1 1 330.432 0.553 20 30 ECEDMO CNC(=O)C1([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCCC1 ZINC000808737871 587160641 /nfs/dbraw/zinc/16/06/41/587160641.db2.gz QPXATEJAMPDSNX-UHFFFAOYSA-N 1 1 336.417 0.375 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[C@@H]1CCCO1 ZINC000809305454 587173536 /nfs/dbraw/zinc/17/35/36/587173536.db2.gz DGXNHDYDTKQZBP-QZWWFDLISA-N 1 1 347.459 0.757 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[C@@H]1CCCO1 ZINC000809309218 587174335 /nfs/dbraw/zinc/17/43/35/587174335.db2.gz MDHSKVKMGSAKTA-UGUYLWEFSA-N 1 1 333.432 0.226 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@H]1CCCO1 ZINC000809314136 587175497 /nfs/dbraw/zinc/17/54/97/587175497.db2.gz YNTKEKQHXSUHHN-CAOSSQGBSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000814145062 587271061 /nfs/dbraw/zinc/27/10/61/587271061.db2.gz KLGGDKYNEWKULI-GDBMZVCRSA-N 1 1 347.440 0.374 20 30 ECEDMO C=C[C@H](O)C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000814548537 587276855 /nfs/dbraw/zinc/27/68/55/587276855.db2.gz DIYYIRCRNOWKAQ-IMJJTQAJSA-N 1 1 332.400 0.856 20 30 ECEDMO CO[C@](C)(C=NNC(=S)NCCC[NH+]1CCOCC1)C1CC1 ZINC000814728525 587278934 /nfs/dbraw/zinc/27/89/34/587278934.db2.gz ZQGDQMMPESIKSD-OAHLLOKOSA-N 1 1 328.482 0.974 20 30 ECEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000815704959 587296377 /nfs/dbraw/zinc/29/63/77/587296377.db2.gz USPSETIMCRJBOP-IUODEOHRSA-N 1 1 345.374 0.939 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000815705315 587296682 /nfs/dbraw/zinc/29/66/82/587296682.db2.gz GMYIXPJECKCDTK-BBRMVZONSA-N 1 1 327.384 0.800 20 30 ECEDMO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC[N@H+](C2CCC2)C1 ZINC000815733049 587297477 /nfs/dbraw/zinc/29/74/77/587297477.db2.gz DUOSJTRRWUOHQS-CYBMUJFWSA-N 1 1 344.419 0.678 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000815860865 587300448 /nfs/dbraw/zinc/30/04/48/587300448.db2.gz DWPZASSMOPBVHY-OAHLLOKOSA-N 1 1 347.419 0.072 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000817707858 587381934 /nfs/dbraw/zinc/38/19/34/587381934.db2.gz PNDXBYWSZHVTNU-MRXNPFEDSA-N 1 1 325.412 0.885 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000818986170 587463463 /nfs/dbraw/zinc/46/34/63/587463463.db2.gz HHTOWMBNCNDCCR-SCTDSRPQSA-N 1 1 345.443 0.945 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000818986170 587463465 /nfs/dbraw/zinc/46/34/65/587463465.db2.gz HHTOWMBNCNDCCR-SCTDSRPQSA-N 1 1 345.443 0.945 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000820687838 587550085 /nfs/dbraw/zinc/55/00/85/587550085.db2.gz BUIUNPVGGYRGDU-GFCCVEGCSA-N 1 1 333.354 0.859 20 30 ECEDMO C#CCN(CC(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(=O)OC(C)(C)C ZINC000827237959 588107048 /nfs/dbraw/zinc/10/70/48/588107048.db2.gz ZHVLHEANOPYKKB-CQSZACIVSA-N 1 1 338.452 0.219 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000827549237 588127248 /nfs/dbraw/zinc/12/72/48/588127248.db2.gz FJTBNTDZTAZFFM-INIZCTEOSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000828473142 588181920 /nfs/dbraw/zinc/18/19/20/588181920.db2.gz PXAQPVGUMOTRMO-GJZGRUSLSA-N 1 1 333.436 0.879 20 30 ECEDMO C=C[C@@H](O)C(=O)N[C@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000829953777 588349888 /nfs/dbraw/zinc/34/98/88/588349888.db2.gz HBAWBHOEHOUZKJ-CRAIPNDOSA-N 1 1 332.400 0.857 20 30 ECEDMO C=C[C@H](O)C(=O)N[C@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000829953779 588349949 /nfs/dbraw/zinc/34/99/49/588349949.db2.gz HBAWBHOEHOUZKJ-MAUKXSAKSA-N 1 1 332.400 0.857 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC000844460505 589111785 /nfs/dbraw/zinc/11/17/85/589111785.db2.gz XLCBAXLEFIOPIE-HZSPNIEDSA-N 1 1 326.391 0.876 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC000844460505 589111787 /nfs/dbraw/zinc/11/17/87/589111787.db2.gz XLCBAXLEFIOPIE-HZSPNIEDSA-N 1 1 326.391 0.876 20 30 ECEDMO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000846334970 589197021 /nfs/dbraw/zinc/19/70/21/589197021.db2.gz GHOVVCOOSPGCTB-IAGOWNOFSA-N 1 1 328.416 0.440 20 30 ECEDMO C#C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000847027452 589233179 /nfs/dbraw/zinc/23/31/79/589233179.db2.gz BERGTIOZNVIEAC-AWEZNQCLSA-N 1 1 329.400 0.512 20 30 ECEDMO C#C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[C@@H]1CCCO1 ZINC000849574771 589341347 /nfs/dbraw/zinc/34/13/47/589341347.db2.gz ABHBBXQHFMGCHA-QZWWFDLISA-N 1 1 330.432 0.752 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000850712711 589381482 /nfs/dbraw/zinc/38/14/82/589381482.db2.gz PSNFUEFCWLSKOJ-JKSUJKDBSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCOCC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000851779757 589422919 /nfs/dbraw/zinc/42/29/19/589422919.db2.gz WHILDWPHLDMLGR-UHFFFAOYSA-N 1 1 331.420 0.085 20 30 ECEDMO C#CCC[NH+]1CCN([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC000851873395 589430358 /nfs/dbraw/zinc/43/03/58/589430358.db2.gz XFZBSBWRIDWPAL-HNNXBMFYSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000852358113 589492173 /nfs/dbraw/zinc/49/21/73/589492173.db2.gz MWCLYAWXQMUZMP-HRCADAONSA-N 1 1 325.453 0.807 20 30 ECEDMO CN1CCN(c2ncccc2CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852873192 589520926 /nfs/dbraw/zinc/52/09/26/589520926.db2.gz QMEFELQSKNFRJE-UHFFFAOYSA-N 1 1 341.459 0.453 20 30 ECEDMO Cc1cc(N2C[C@@H]3C[C@]3(CO)C2)c(C#N)c(N2C[C@H]3C[C@@]3(CO)C2)[nH+]1 ZINC000853515167 589545462 /nfs/dbraw/zinc/54/54/62/589545462.db2.gz UBPOESXGZBQOBE-RAKLQZGLSA-N 1 1 340.427 0.899 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000853712053 589556033 /nfs/dbraw/zinc/55/60/33/589556033.db2.gz FMLHCXGSUXZQLU-XROPSADXSA-N 1 1 349.435 0.685 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CON=C[C@H]2CCCO2)C1 ZINC000853753329 589557682 /nfs/dbraw/zinc/55/76/82/589557682.db2.gz HPCCYZITKIRGAJ-HUUCEWRRSA-N 1 1 327.425 0.641 20 30 ECEDMO C#CCN(CC(=O)N1CC[N@@H+](CCO)C[C@H]1C)C(=O)OC(C)(C)C ZINC000854897266 589612231 /nfs/dbraw/zinc/61/22/31/589612231.db2.gz WGEYYEUOYWNUJA-CQSZACIVSA-N 1 1 339.436 0.382 20 30 ECEDMO C#CCN(CC(=O)N1CC[N@H+](CCO)C[C@H]1C)C(=O)OC(C)(C)C ZINC000854897266 589612232 /nfs/dbraw/zinc/61/22/32/589612232.db2.gz WGEYYEUOYWNUJA-CQSZACIVSA-N 1 1 339.436 0.382 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000855363661 589627574 /nfs/dbraw/zinc/62/75/74/589627574.db2.gz UUSJRUCAFFZLII-OAHLLOKOSA-N 1 1 349.456 0.764 20 30 ECEDMO C[NH+]=C(NC[C@@H](C1CC1)N(C)C)N1CCN(c2ncccn2)CC1 ZINC000114066794 589658599 /nfs/dbraw/zinc/65/85/99/589658599.db2.gz LXUVLXMJNQSHSX-HNNXBMFYSA-N 1 1 331.468 0.514 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860529162 589779668 /nfs/dbraw/zinc/77/96/68/589779668.db2.gz BLQGKQRQDZQVBC-KBPBESRZSA-N 1 1 328.434 0.299 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)CC1(OCC)CCOCC1 ZINC000859172875 589804921 /nfs/dbraw/zinc/80/49/21/589804921.db2.gz QNOVSZLGPUIRME-UHFFFAOYSA-N 1 1 332.466 0.447 20 30 ECEDMO CC(C)[N@H+](CCS(C)(=O)=O)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859206583 589807495 /nfs/dbraw/zinc/80/74/95/589807495.db2.gz WHHMTXYMQZEWIE-AWEZNQCLSA-N 1 1 332.466 0.813 20 30 ECEDMO CC(C)[N@@H+](CCS(C)(=O)=O)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859206583 589807497 /nfs/dbraw/zinc/80/74/97/589807497.db2.gz WHHMTXYMQZEWIE-AWEZNQCLSA-N 1 1 332.466 0.813 20 30 ECEDMO N#CC1(C[C@H](O)C[NH+]2CCN(c3cc(F)ncn3)CC2)CCOCC1 ZINC000859323777 589821481 /nfs/dbraw/zinc/82/14/81/589821481.db2.gz KRSIMRCZVFFZDZ-AWEZNQCLSA-N 1 1 349.410 0.809 20 30 ECEDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000859321952 589821578 /nfs/dbraw/zinc/82/15/78/589821578.db2.gz YRFODAMSDZRPQG-UONOGXRCSA-N 1 1 325.409 0.830 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)c1 ZINC000118124595 589835805 /nfs/dbraw/zinc/83/58/05/589835805.db2.gz JUEKKUWMGZBFCH-INIZCTEOSA-N 1 1 329.400 0.833 20 30 ECEDMO C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867944736 589864505 /nfs/dbraw/zinc/86/45/05/589864505.db2.gz HQVTVWWRPDQTMV-XHDPSFHLSA-N 1 1 335.429 0.684 20 30 ECEDMO CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867950665 589864848 /nfs/dbraw/zinc/86/48/48/589864848.db2.gz YJSOGVFTYPHHGP-IAQYHMDHSA-N 1 1 335.429 0.684 20 30 ECEDMO C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868371362 589897601 /nfs/dbraw/zinc/89/76/01/589897601.db2.gz CFXANRYZPCORPJ-KBXCAEBGSA-N 1 1 341.459 0.961 20 30 ECEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868371362 589897603 /nfs/dbraw/zinc/89/76/03/589897603.db2.gz CFXANRYZPCORPJ-KBXCAEBGSA-N 1 1 341.459 0.961 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000868653082 589919588 /nfs/dbraw/zinc/91/95/88/589919588.db2.gz PYANOSJJCYZFQF-AWEZNQCLSA-N 1 1 348.369 0.794 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000868653082 589919590 /nfs/dbraw/zinc/91/95/90/589919590.db2.gz PYANOSJJCYZFQF-AWEZNQCLSA-N 1 1 348.369 0.794 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000874264416 590229405 /nfs/dbraw/zinc/22/94/05/590229405.db2.gz UNVXQUQSEOGGEZ-UHFFFAOYSA-N 1 1 349.456 0.670 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000874997854 590261700 /nfs/dbraw/zinc/26/17/00/590261700.db2.gz YVHBSKJAMDBSCJ-IAGOWNOFSA-N 1 1 343.427 0.532 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000875122963 590273275 /nfs/dbraw/zinc/27/32/75/590273275.db2.gz QOFGDIMHWWLUIU-XUWVNRHRSA-N 1 1 337.464 0.624 20 30 ECEDMO CC(C)[C@H]1CN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC[N@H+]1C ZINC000875267910 590288849 /nfs/dbraw/zinc/28/88/49/590288849.db2.gz TVJSSIUNHVYERW-JFVSRZABSA-N 1 1 349.435 0.494 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000875379684 590297676 /nfs/dbraw/zinc/29/76/76/590297676.db2.gz INAJRBBJYJSVSY-CABCVRRESA-N 1 1 337.464 0.768 20 30 ECEDMO CNS(=O)(=O)CCC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879588219 590326425 /nfs/dbraw/zinc/32/64/25/590326425.db2.gz BFTGTZVYMNMYMW-UHFFFAOYSA-N 1 1 340.424 0.759 20 30 ECEDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C[C@@H]2C1 ZINC000880310002 590383325 /nfs/dbraw/zinc/38/33/25/590383325.db2.gz VPLMMYSFKUDTEW-FGTMMUONSA-N 1 1 343.427 0.902 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CS1(=O)=O ZINC000876966587 590430228 /nfs/dbraw/zinc/43/02/28/590430228.db2.gz WUYVITHYHPAPCL-DJSGYFEHSA-N 1 1 347.440 0.827 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)n1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881343305 590448220 /nfs/dbraw/zinc/44/82/20/590448220.db2.gz DTVWJDHGAKQHBH-CQSZACIVSA-N 1 1 346.435 0.666 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000888884943 590458239 /nfs/dbraw/zinc/45/82/39/590458239.db2.gz GBQCMBWFWHMKKX-DLBZAZTESA-N 1 1 336.480 0.884 20 30 ECEDMO C=CC[C@@H](C(=O)OC)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000878246432 590509484 /nfs/dbraw/zinc/50/94/84/590509484.db2.gz PGUNEEZQZIHRBL-INIZCTEOSA-N 1 1 337.464 0.980 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC([C@H](F)C(N)=O)CC2)cc1 ZINC000879047716 590560487 /nfs/dbraw/zinc/56/04/87/590560487.db2.gz MMYMVLDYTCJGNJ-INIZCTEOSA-N 1 1 332.379 0.710 20 30 ECEDMO C[N@H+]1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1(C)C ZINC000883375865 590615158 /nfs/dbraw/zinc/61/51/58/590615158.db2.gz AOWJOPOLWIIGEV-BUHFOSPRSA-N 1 1 335.408 0.248 20 30 ECEDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000883896603 590679269 /nfs/dbraw/zinc/67/92/69/590679269.db2.gz SJANPRZBONQHHF-KBPBESRZSA-N 1 1 343.435 0.663 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884045926 590716931 /nfs/dbraw/zinc/71/69/31/590716931.db2.gz LWPBQYHREOWKDQ-IXDOHACOSA-N 1 1 336.480 0.883 20 30 ECEDMO N#CCCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000885350553 590718392 /nfs/dbraw/zinc/71/83/92/590718392.db2.gz PVWCBNYLVYTGJO-JKSUJKDBSA-N 1 1 349.456 0.972 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000884182818 590766142 /nfs/dbraw/zinc/76/61/42/590766142.db2.gz USESCHKENRTMSY-IHRRRGAJSA-N 1 1 341.452 0.437 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2c(CC)nn(C)c2OC)C1 ZINC000884254986 590789382 /nfs/dbraw/zinc/78/93/82/590789382.db2.gz VZCNDNCUIGRNQZ-CYBMUJFWSA-N 1 1 333.436 0.888 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2c(CC)nn(C)c2OC)C1 ZINC000884254986 590789386 /nfs/dbraw/zinc/78/93/86/590789386.db2.gz VZCNDNCUIGRNQZ-CYBMUJFWSA-N 1 1 333.436 0.888 20 30 ECEDMO N#CC1(C[C@H](O)Cn2cc(CCC[NH+]3CCOCC3)nn2)CCC1 ZINC000887464505 590970944 /nfs/dbraw/zinc/97/09/44/590970944.db2.gz BQYCWFZLPGYTSJ-INIZCTEOSA-N 1 1 333.436 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(OCC(N)=O)cc2)C1 ZINC000887675906 590990766 /nfs/dbraw/zinc/99/07/66/590990766.db2.gz MOUPKQOSDPPWSX-CQSZACIVSA-N 1 1 330.388 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OCC(N)=O)cc2)C1 ZINC000887675906 590990769 /nfs/dbraw/zinc/99/07/69/590990769.db2.gz MOUPKQOSDPPWSX-CQSZACIVSA-N 1 1 330.388 0.770 20 30 ECEDMO CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCO[C@@](C)(C#N)C1)n2C ZINC000887678972 590991796 /nfs/dbraw/zinc/99/17/96/590991796.db2.gz NQGYSMJSAJBPPW-INIZCTEOSA-N 1 1 328.376 0.789 20 30 ECEDMO C#CCC1(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CCOCC1 ZINC000887699699 590993016 /nfs/dbraw/zinc/99/30/16/590993016.db2.gz JQUYWWYUORXLLV-UHFFFAOYSA-N 1 1 336.436 0.022 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nc(-c3ccccn3)n[nH]2)C1 ZINC000889196189 591043375 /nfs/dbraw/zinc/04/33/75/591043375.db2.gz HWWAJZHOBLAZCO-CYBMUJFWSA-N 1 1 339.403 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nc(-c3ccccn3)n[nH]2)C1 ZINC000889196189 591043380 /nfs/dbraw/zinc/04/33/80/591043380.db2.gz HWWAJZHOBLAZCO-CYBMUJFWSA-N 1 1 339.403 0.764 20 30 ECEDMO N#CCc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)n1 ZINC000889924284 591109682 /nfs/dbraw/zinc/10/96/82/591109682.db2.gz DEVDZUQICBKGDD-UHFFFAOYSA-N 1 1 327.388 0.783 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000890363592 591150859 /nfs/dbraw/zinc/15/08/59/591150859.db2.gz QAXPOSBGFPVJMT-CABCVRRESA-N 1 1 333.436 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000890363592 591150863 /nfs/dbraw/zinc/15/08/63/591150863.db2.gz QAXPOSBGFPVJMT-CABCVRRESA-N 1 1 333.436 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)C1 ZINC000890364795 591152056 /nfs/dbraw/zinc/15/20/56/591152056.db2.gz IRLXXYRLRQQYAT-HOCLYGCPSA-N 1 1 346.435 0.215 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)C1 ZINC000890364795 591152058 /nfs/dbraw/zinc/15/20/58/591152058.db2.gz IRLXXYRLRQQYAT-HOCLYGCPSA-N 1 1 346.435 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)C1 ZINC000890372558 591155262 /nfs/dbraw/zinc/15/52/62/591155262.db2.gz JWVNYHVWTQSBAX-SJORKVTESA-N 1 1 340.427 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)C1 ZINC000890372558 591155265 /nfs/dbraw/zinc/15/52/65/591155265.db2.gz JWVNYHVWTQSBAX-SJORKVTESA-N 1 1 340.427 0.967 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccn4nnnc34)CC[C@@H]2C1 ZINC000946608019 611362940 /nfs/dbraw/zinc/36/29/40/611362940.db2.gz RNYVXBGACLTXNY-GASCZTMLSA-N 1 1 338.415 0.932 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C[C@H]1C ZINC000947991064 611371927 /nfs/dbraw/zinc/37/19/27/611371927.db2.gz WMBLCWPIXIUCOY-OCCSQVGLSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000930118924 611392220 /nfs/dbraw/zinc/39/22/20/611392220.db2.gz MMDWHRJHPKMTSO-CLLJXQQHSA-N 1 1 333.404 0.363 20 30 ECEDMO C#CCN(C(=O)C(=O)NCc1cc(CC)[nH]n1)C1CC[NH+](C)CC1 ZINC000930126718 611392673 /nfs/dbraw/zinc/39/26/73/611392673.db2.gz PYFHMUZGHNDGCY-UHFFFAOYSA-N 1 1 331.420 0.144 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CCN1CCNC1=O ZINC000947175878 611451007 /nfs/dbraw/zinc/45/10/07/611451007.db2.gz UWGJBNHJGCJCQT-TZMCWYRMSA-N 1 1 344.419 0.494 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC[N@H+]1C ZINC000925352236 611474249 /nfs/dbraw/zinc/47/42/49/611474249.db2.gz CKWDAGLZUHIBDE-CJNGLKHVSA-N 1 1 328.420 0.877 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000946785564 611477137 /nfs/dbraw/zinc/47/71/37/611477137.db2.gz BJEFGZNHFLEXTG-HNNXBMFYSA-N 1 1 346.435 0.279 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC[C@@H]2C1 ZINC000946776368 611470417 /nfs/dbraw/zinc/47/04/17/611470417.db2.gz MKDLVOVPOHWDFA-XUWVNRHRSA-N 1 1 333.432 0.213 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000946796345 611485718 /nfs/dbraw/zinc/48/57/18/611485718.db2.gz GRTZASUVMRRIGB-CYBMUJFWSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000926146059 611519818 /nfs/dbraw/zinc/51/98/18/611519818.db2.gz JBPYEXBJRQNCGJ-DNNBLBMLSA-N 1 1 333.436 0.674 20 30 ECEDMO C[C@@](C#N)(NC(=O)CN1CCC([N@H+]2CCCOCC2)CC1)C1CC1 ZINC000931292105 611529004 /nfs/dbraw/zinc/52/90/04/611529004.db2.gz HNICNJUDRRHCOJ-SFHVURJKSA-N 1 1 334.464 0.982 20 30 ECEDMO CCN(C(=O)C(=O)NCc1cc(C#N)ccc1F)[C@H]1CC[N@@H+](C)C1 ZINC000931598701 611552695 /nfs/dbraw/zinc/55/26/95/611552695.db2.gz NDHNRQLYHWDMIV-AWEZNQCLSA-N 1 1 332.379 0.866 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000931821941 611572141 /nfs/dbraw/zinc/57/21/41/611572141.db2.gz SODDWGKRPJHIRT-OWCLPIDISA-N 1 1 349.500 0.944 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000931821941 611572143 /nfs/dbraw/zinc/57/21/43/611572143.db2.gz SODDWGKRPJHIRT-OWCLPIDISA-N 1 1 349.500 0.944 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931820092 611572578 /nfs/dbraw/zinc/57/25/78/611572578.db2.gz LDQJBELWDZXZQB-ZIAGYGMSSA-N 1 1 341.477 0.343 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000931820092 611572581 /nfs/dbraw/zinc/57/25/81/611572581.db2.gz LDQJBELWDZXZQB-ZIAGYGMSSA-N 1 1 341.477 0.343 20 30 ECEDMO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](C[C@H](O)CC#N)C2)C1 ZINC000931854447 611574488 /nfs/dbraw/zinc/57/44/88/611574488.db2.gz IGPPTCDPWXXVMP-CZUORRHYSA-N 1 1 325.409 0.973 20 30 ECEDMO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@@H+](C[C@H](O)CC#N)C2)C1 ZINC000931854447 611574490 /nfs/dbraw/zinc/57/44/90/611574490.db2.gz IGPPTCDPWXXVMP-CZUORRHYSA-N 1 1 325.409 0.973 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948416769 611583233 /nfs/dbraw/zinc/58/32/33/611583233.db2.gz OYMNJHOPKQGJEZ-IAGOWNOFSA-N 1 1 349.475 0.818 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948416567 611583312 /nfs/dbraw/zinc/58/33/12/611583312.db2.gz IWRAFHDCGUUFSG-HOTGVXAUSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)CC1 ZINC000948421590 611585826 /nfs/dbraw/zinc/58/58/26/611585826.db2.gz WKFMEGKZUDNTEA-OAHLLOKOSA-N 1 1 343.493 0.911 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 ZINC000931964326 611588982 /nfs/dbraw/zinc/58/89/82/611588982.db2.gz GUJVBQGOBUTQPY-UHFFFAOYSA-N 1 1 335.408 0.868 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@H]1C ZINC000947560694 611595779 /nfs/dbraw/zinc/59/57/79/611595779.db2.gz TWYMYAFWOZQNFF-KGLIPLIRSA-N 1 1 341.415 0.937 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCOCC2=O)CC1 ZINC000948442380 611599227 /nfs/dbraw/zinc/59/92/27/611599227.db2.gz NYARTVGVUPTUMB-CQSZACIVSA-N 1 1 343.855 0.911 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000948448942 611601082 /nfs/dbraw/zinc/60/10/82/611601082.db2.gz LQJJAYFXNLNKTO-SJORKVTESA-N 1 1 348.491 0.485 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C ZINC000947599779 611614217 /nfs/dbraw/zinc/61/42/17/611614217.db2.gz ZJNNSNYYPZPIMT-DGCLKSJQSA-N 1 1 342.407 0.300 20 30 ECEDMO N#C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CCN1C1CC1 ZINC000927629445 611621344 /nfs/dbraw/zinc/62/13/44/611621344.db2.gz JOOBOOKQTPKTEE-SJORKVTESA-N 1 1 347.463 0.621 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000949238556 608593631 /nfs/dbraw/zinc/59/36/31/608593631.db2.gz JHCDHBGGROIHMV-STQMWFEESA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000949238556 608593633 /nfs/dbraw/zinc/59/36/33/608593633.db2.gz JHCDHBGGROIHMV-STQMWFEESA-N 1 1 343.855 0.813 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C[C@@H]1C ZINC000947383007 608632749 /nfs/dbraw/zinc/63/27/49/608632749.db2.gz JYLDREIQUSAGRV-NWDGAFQWSA-N 1 1 327.388 0.890 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 ZINC000949346354 608647309 /nfs/dbraw/zinc/64/73/09/608647309.db2.gz CLOIFWPNPZHNMV-UHFFFAOYSA-N 1 1 333.388 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CC(C)(C)O ZINC000937376387 608650015 /nfs/dbraw/zinc/65/00/15/608650015.db2.gz LOLSKRHKGFRRNB-HOTGVXAUSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CC(C)(C)O ZINC000937376387 608650016 /nfs/dbraw/zinc/65/00/16/608650016.db2.gz LOLSKRHKGFRRNB-HOTGVXAUSA-N 1 1 349.475 0.742 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC000949383103 608661629 /nfs/dbraw/zinc/66/16/29/608661629.db2.gz VZQXDVPHXWUFKW-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC000949383103 608661631 /nfs/dbraw/zinc/66/16/31/608661631.db2.gz VZQXDVPHXWUFKW-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(CCF)CCO2 ZINC000949386196 608664447 /nfs/dbraw/zinc/66/44/47/608664447.db2.gz WRDGEVQGMKZQIC-INIZCTEOSA-N 1 1 337.439 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(CCF)CCO2 ZINC000949386196 608664451 /nfs/dbraw/zinc/66/44/51/608664451.db2.gz WRDGEVQGMKZQIC-INIZCTEOSA-N 1 1 337.439 0.747 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC000949391600 608666465 /nfs/dbraw/zinc/66/64/65/608666465.db2.gz LRADNODLTZOPIS-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC000949391600 608666467 /nfs/dbraw/zinc/66/64/67/608666467.db2.gz LRADNODLTZOPIS-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC000949391791 608666573 /nfs/dbraw/zinc/66/65/73/608666573.db2.gz XKSFXUUTFNEFMO-UHFFFAOYSA-N 1 1 330.388 0.513 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3COCCN3CC)CC2)C1 ZINC000949402375 608669748 /nfs/dbraw/zinc/66/97/48/608669748.db2.gz XUYNYMXZIKPPAH-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3COCCN3CC)CC2)C1 ZINC000949402375 608669750 /nfs/dbraw/zinc/66/97/50/608669750.db2.gz XUYNYMXZIKPPAH-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000948561020 611654642 /nfs/dbraw/zinc/65/46/42/611654642.db2.gz HTDOBFVKGZSNTF-ZIAGYGMSSA-N 1 1 331.420 0.492 20 30 ECEDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C)C(=O)NCC#CCO ZINC000923770193 608728807 /nfs/dbraw/zinc/72/88/07/608728807.db2.gz UMYNJBCNAHIWPJ-GOEBONIOSA-N 1 1 333.436 0.440 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000947037430 611657596 /nfs/dbraw/zinc/65/75/96/611657596.db2.gz YEJJXMDWAMHCDR-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@@H](C)C2)C1 ZINC000947701334 611659292 /nfs/dbraw/zinc/65/92/92/611659292.db2.gz AJBUMQOFUSUCGO-KBPBESRZSA-N 1 1 348.447 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2oncc2C)CC1 ZINC000947229809 608794315 /nfs/dbraw/zinc/79/43/15/608794315.db2.gz HOFJULOWEVPMLQ-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2oncc2C)CC1 ZINC000947229809 608794318 /nfs/dbraw/zinc/79/43/18/608794318.db2.gz HOFJULOWEVPMLQ-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO N#CC1(NC(=O)CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCCCC1 ZINC000934252971 608804188 /nfs/dbraw/zinc/80/41/88/608804188.db2.gz RQJPSPZBCDXART-HZPDHXFCSA-N 1 1 334.464 0.860 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCCOC2)CC1 ZINC000947230466 608822117 /nfs/dbraw/zinc/82/21/17/608822117.db2.gz SEQUTAUDZYYVED-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCCOC2)CC1 ZINC000947230466 608822119 /nfs/dbraw/zinc/82/21/19/608822119.db2.gz SEQUTAUDZYYVED-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C[C@@H]1C ZINC000947712032 611663653 /nfs/dbraw/zinc/66/36/53/611663653.db2.gz ZVTJTVPPZQCPJM-QWRGUYRKSA-N 1 1 341.437 0.216 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cnco2)CC1 ZINC000947568412 608899662 /nfs/dbraw/zinc/89/96/62/608899662.db2.gz LASXMLZDXWIMBU-AWEZNQCLSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cnco2)CC1 ZINC000947568412 608899664 /nfs/dbraw/zinc/89/96/64/608899664.db2.gz LASXMLZDXWIMBU-AWEZNQCLSA-N 1 1 330.388 0.493 20 30 ECEDMO C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1=O ZINC000948634424 611673907 /nfs/dbraw/zinc/67/39/07/611673907.db2.gz ZYKCBMIBRLIQMV-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947205355 608920012 /nfs/dbraw/zinc/92/00/12/608920012.db2.gz PIYYMJLBEICRRB-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C[C@@H]1C ZINC000947309915 608957220 /nfs/dbraw/zinc/95/72/20/608957220.db2.gz IXWXBORYERJVPC-KBPBESRZSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000936712189 609001717 /nfs/dbraw/zinc/00/17/17/609001717.db2.gz KFXDXLYGSDQMJY-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000936712189 609001719 /nfs/dbraw/zinc/00/17/19/609001719.db2.gz KFXDXLYGSDQMJY-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000936712189 609001722 /nfs/dbraw/zinc/00/17/22/609001722.db2.gz KFXDXLYGSDQMJY-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000936712189 609001725 /nfs/dbraw/zinc/00/17/25/609001725.db2.gz KFXDXLYGSDQMJY-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000936712189 609001727 /nfs/dbraw/zinc/00/17/27/609001727.db2.gz KFXDXLYGSDQMJY-ZFWWWQNUSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)[C@H](C)C2)cc1 ZINC000947778918 609025137 /nfs/dbraw/zinc/02/51/37/609025137.db2.gz LFQBRDLOZLXVQZ-UKRRQHHQSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)[C@H](C)C2)cc1 ZINC000947778918 609025141 /nfs/dbraw/zinc/02/51/41/609025141.db2.gz LFQBRDLOZLXVQZ-UKRRQHHQSA-N 1 1 329.400 0.767 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000937197463 609034026 /nfs/dbraw/zinc/03/40/26/609034026.db2.gz HKJNQLACNWDBGE-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937197500 609034158 /nfs/dbraw/zinc/03/41/58/609034158.db2.gz IGFNOAQZZGAYOS-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1=O ZINC000948634427 611674119 /nfs/dbraw/zinc/67/41/19/611674119.db2.gz ZYKCBMIBRLIQMV-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cncc(C)c2)C1 ZINC000937781434 609071668 /nfs/dbraw/zinc/07/16/68/609071668.db2.gz KGCKADWJGZKYBN-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cncc(C)c2)C1 ZINC000937781434 609071669 /nfs/dbraw/zinc/07/16/69/609071669.db2.gz KGCKADWJGZKYBN-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000937768785 609078258 /nfs/dbraw/zinc/07/82/58/609078258.db2.gz RUDSQUYVYUPMJP-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC000937768785 609078262 /nfs/dbraw/zinc/07/82/62/609078262.db2.gz RUDSQUYVYUPMJP-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000937798492 609090407 /nfs/dbraw/zinc/09/04/07/609090407.db2.gz HPCXRBDKHPMFDO-AWEZNQCLSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000937827315 609104405 /nfs/dbraw/zinc/10/44/05/609104405.db2.gz SGIZIKJOUWKABF-HOTGVXAUSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000937827315 609104406 /nfs/dbraw/zinc/10/44/06/609104406.db2.gz SGIZIKJOUWKABF-HOTGVXAUSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000936823029 609123735 /nfs/dbraw/zinc/12/37/35/609123735.db2.gz DAXCVHKVQCUVCR-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000936823029 609123736 /nfs/dbraw/zinc/12/37/36/609123736.db2.gz DAXCVHKVQCUVCR-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc1 ZINC000928458731 611691260 /nfs/dbraw/zinc/69/12/60/611691260.db2.gz XWCNQWVVKUUIPF-SWLSCSKDSA-N 1 1 337.445 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CCOCC2)C1 ZINC000937866434 609361611 /nfs/dbraw/zinc/36/16/11/609361611.db2.gz ICAJQIXQOSXCSB-HOTGVXAUSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2=CCOCC2)C1 ZINC000937866434 609361613 /nfs/dbraw/zinc/36/16/13/609361613.db2.gz ICAJQIXQOSXCSB-HOTGVXAUSA-N 1 1 331.416 0.148 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000937977063 609429317 /nfs/dbraw/zinc/42/93/17/609429317.db2.gz KOJHHEXJVDUNQF-GJZGRUSLSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncccc2F)C1 ZINC000938170096 609481397 /nfs/dbraw/zinc/48/13/97/609481397.db2.gz DXPQTIZMLNARRE-ZFWWWQNUSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncccc2F)C1 ZINC000938170096 609481399 /nfs/dbraw/zinc/48/13/99/609481399.db2.gz DXPQTIZMLNARRE-ZFWWWQNUSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000938170530 609482465 /nfs/dbraw/zinc/48/24/65/609482465.db2.gz JKAJGBGJACPTFY-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC000938173470 609485540 /nfs/dbraw/zinc/48/55/40/609485540.db2.gz RYZLVUQKKUVDMJ-ULQDDVLXSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC000938173470 609485541 /nfs/dbraw/zinc/48/55/41/609485541.db2.gz RYZLVUQKKUVDMJ-ULQDDVLXSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000938173913 609486449 /nfs/dbraw/zinc/48/64/49/609486449.db2.gz ZTKLFWGPCLGATR-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000938222608 609548454 /nfs/dbraw/zinc/54/84/54/609548454.db2.gz BOQQEBMWYVRQLJ-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H](CNC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000919733287 609661564 /nfs/dbraw/zinc/66/15/64/609661564.db2.gz MCJHFZXGHDXABI-BZUAXINKSA-N 1 1 337.468 0.582 20 30 ECEDMO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1C#N ZINC000919990980 609667260 /nfs/dbraw/zinc/66/72/60/609667260.db2.gz STYROKXGRGHHDJ-BBRMVZONSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1C#N ZINC000919990980 609667262 /nfs/dbraw/zinc/66/72/62/609667262.db2.gz STYROKXGRGHHDJ-BBRMVZONSA-N 1 1 336.461 0.779 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@H]1C[N@H+](C)CCN1C ZINC000919998983 609669673 /nfs/dbraw/zinc/66/96/73/609669673.db2.gz DKUVKZMCEZZXPH-BXUZGUMPSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@H]1C[N@@H+](C)CCN1C ZINC000919998983 609669674 /nfs/dbraw/zinc/66/96/74/609669674.db2.gz DKUVKZMCEZZXPH-BXUZGUMPSA-N 1 1 340.424 0.610 20 30 ECEDMO C#CCCS(=O)(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000920303707 609679484 /nfs/dbraw/zinc/67/94/84/609679484.db2.gz RLLPPPYFFMBRHG-LVQVYYBASA-N 1 1 328.478 0.799 20 30 ECEDMO CN(C(=O)C(N)=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000948733449 611706166 /nfs/dbraw/zinc/70/61/66/611706166.db2.gz KLHOEULGYAWQPE-MRXNPFEDSA-N 1 1 331.391 0.975 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC[N@H+]1C ZINC000925333339 609693658 /nfs/dbraw/zinc/69/36/58/609693658.db2.gz VMZCYIAPRCXIEL-ZFWWWQNUSA-N 1 1 328.420 0.877 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000921437027 609716651 /nfs/dbraw/zinc/71/66/51/609716651.db2.gz KGUNECZMFNHQIE-ZFWWWQNUSA-N 1 1 330.450 0.055 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 ZINC000921437978 609716774 /nfs/dbraw/zinc/71/67/74/609716774.db2.gz MMMXOSXMYKLXCG-AWEZNQCLSA-N 1 1 338.433 0.220 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC000938373917 609759908 /nfs/dbraw/zinc/75/99/08/609759908.db2.gz SRJHSVNXXXOAEK-INIZCTEOSA-N 1 1 337.383 0.599 20 30 ECEDMO COC(=O)CCN(CC#N)C(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000913737045 609817484 /nfs/dbraw/zinc/81/74/84/609817484.db2.gz DDWXTAUYUDKCBE-UHFFFAOYSA-N 1 1 338.452 0.708 20 30 ECEDMO COC[C@@H]1CC[C@H]([C@H]2COCC[N@@H+]2CCC(=O)N(C)CCC#N)O1 ZINC000933194249 611714437 /nfs/dbraw/zinc/71/44/37/611714437.db2.gz BUJFPKIXVRFKOR-ARFHVFGLSA-N 1 1 339.436 0.643 20 30 ECEDMO COC[C@@H]1CC[C@H]([C@H]2COCC[N@H+]2CCC(=O)N(C)CCC#N)O1 ZINC000933194249 611714439 /nfs/dbraw/zinc/71/44/39/611714439.db2.gz BUJFPKIXVRFKOR-ARFHVFGLSA-N 1 1 339.436 0.643 20 30 ECEDMO C[NH+]=C(NCCN(C)C1CCCC1)N[C@H]1CCc2nc(C)nn2C1 ZINC000152088412 609832597 /nfs/dbraw/zinc/83/25/97/609832597.db2.gz MXEHKMWRDMUKDF-AWEZNQCLSA-N 1 1 333.484 0.941 20 30 ECEDMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000925403650 609847138 /nfs/dbraw/zinc/84/71/38/609847138.db2.gz NFTWCJQAUQNQQV-CYBMUJFWSA-N 1 1 344.419 0.959 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000152577100 609865719 /nfs/dbraw/zinc/86/57/19/609865719.db2.gz VYXKPDRZJDLKCE-CJNGLKHVSA-N 1 1 344.415 0.625 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000152577100 609865720 /nfs/dbraw/zinc/86/57/20/609865720.db2.gz VYXKPDRZJDLKCE-CJNGLKHVSA-N 1 1 344.415 0.625 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)[C@H](C)C(C)(C)C)c1=O ZINC000914568953 609892529 /nfs/dbraw/zinc/89/25/29/609892529.db2.gz QCJBXPUYMFPNJD-CYBMUJFWSA-N 1 1 336.436 0.868 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000938613059 609900228 /nfs/dbraw/zinc/90/02/28/609900228.db2.gz PDPFAKZBRUAFKM-BPLDGKMQSA-N 1 1 343.431 0.899 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)NCCC[NH+]2CCOCC2)nc1 ZINC000915880787 609926352 /nfs/dbraw/zinc/92/63/52/609926352.db2.gz ZCQJBCIVBKSSHS-UHFFFAOYSA-N 1 1 332.408 0.387 20 30 ECEDMO C#CC[NH2+]CC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000912112621 609933565 /nfs/dbraw/zinc/93/35/65/609933565.db2.gz HXUHAWIIBIFTIC-UHFFFAOYSA-N 1 1 349.334 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]nc2C)C1 ZINC000938753804 609972532 /nfs/dbraw/zinc/97/25/32/609972532.db2.gz AZVUKHFHTQPZQL-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]nc2C)C1 ZINC000938753804 609972534 /nfs/dbraw/zinc/97/25/34/609972534.db2.gz AZVUKHFHTQPZQL-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC(=O)N1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000912618414 609975050 /nfs/dbraw/zinc/97/50/50/609975050.db2.gz SMFLOCKBXMJOMP-UHFFFAOYSA-N 1 1 340.427 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cncs2)C1 ZINC000938756180 609981992 /nfs/dbraw/zinc/98/19/92/609981992.db2.gz JNZTYGSHXZSJJQ-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cncs2)C1 ZINC000938756180 609981993 /nfs/dbraw/zinc/98/19/93/609981993.db2.gz JNZTYGSHXZSJJQ-KGLIPLIRSA-N 1 1 346.456 0.914 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000938863069 609994352 /nfs/dbraw/zinc/99/43/52/609994352.db2.gz OCFUVZRBXVIOCG-ZNMIVQPWSA-N 1 1 332.404 0.500 20 30 ECEDMO N#C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000919070861 610030617 /nfs/dbraw/zinc/03/06/17/610030617.db2.gz JEDFOBQVOGMMEL-HOTGVXAUSA-N 1 1 335.452 0.338 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000938989697 610063082 /nfs/dbraw/zinc/06/30/82/610063082.db2.gz YKDIUPFNESLRQM-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000938989697 610063083 /nfs/dbraw/zinc/06/30/83/610063083.db2.gz YKDIUPFNESLRQM-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000939934037 610170765 /nfs/dbraw/zinc/17/07/65/610170765.db2.gz HTYBPIZSEVIVPQ-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000939477384 610211226 /nfs/dbraw/zinc/21/12/26/610211226.db2.gz JBGDHMZNRUOLEK-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000939477384 610211227 /nfs/dbraw/zinc/21/12/27/610211227.db2.gz JBGDHMZNRUOLEK-ZACQAIPSSA-N 1 1 347.459 0.570 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000939560368 610235557 /nfs/dbraw/zinc/23/55/57/610235557.db2.gz OWQRKNZFHPVBEW-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nccn2CC)C1 ZINC000940204800 610241216 /nfs/dbraw/zinc/24/12/16/610241216.db2.gz NMBHDXGGQUWXAG-CABCVRRESA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nccn2CC)C1 ZINC000940204800 610241218 /nfs/dbraw/zinc/24/12/18/610241218.db2.gz NMBHDXGGQUWXAG-CABCVRRESA-N 1 1 343.431 0.331 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C ZINC000940383010 610277425 /nfs/dbraw/zinc/27/74/25/610277425.db2.gz HKBJIBGZUMKDGA-MIGQKNRLSA-N 1 1 346.431 0.897 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000941427935 610301495 /nfs/dbraw/zinc/30/14/95/610301495.db2.gz KVFVHSZXNQMJMI-HNNXBMFYSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941413671 610303067 /nfs/dbraw/zinc/30/30/67/610303067.db2.gz CURQGQWHBDGXGN-GDBMZVCRSA-N 1 1 340.899 0.908 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3nn(C)cc3Cl)CC2)C1 ZINC000941423252 610308297 /nfs/dbraw/zinc/30/82/97/610308297.db2.gz VPYMUTZUBKWSGQ-UHFFFAOYSA-N 1 1 335.839 0.539 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000940596389 610310808 /nfs/dbraw/zinc/31/08/08/610310808.db2.gz NIDKSGGZAPXLOW-MAUKXSAKSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000940596389 610310809 /nfs/dbraw/zinc/31/08/09/610310809.db2.gz NIDKSGGZAPXLOW-MAUKXSAKSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ncc(F)cc3F)CC2)C1 ZINC000941459471 610319936 /nfs/dbraw/zinc/31/99/36/610319936.db2.gz BWAMIZSDSUEGFO-UHFFFAOYSA-N 1 1 334.370 0.825 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940658982 610326856 /nfs/dbraw/zinc/32/68/56/610326856.db2.gz UCYGSIPLRHLHHD-ZIAGYGMSSA-N 1 1 329.404 0.605 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC000941485607 610337807 /nfs/dbraw/zinc/33/78/07/610337807.db2.gz WKFGVNRJTMICRV-UHFFFAOYSA-N 1 1 331.464 0.676 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(=O)c(OC)co3)CC2)C1 ZINC000941487203 610338771 /nfs/dbraw/zinc/33/87/71/610338771.db2.gz HNPQYBWNCXADHZ-UHFFFAOYSA-N 1 1 347.415 0.667 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(CCC)n[nH]3)CC2)C1 ZINC000941512659 610352071 /nfs/dbraw/zinc/35/20/71/610352071.db2.gz SBUSPYUGAQVOJV-UHFFFAOYSA-N 1 1 329.448 0.828 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000942248352 610356697 /nfs/dbraw/zinc/35/66/97/610356697.db2.gz SGEHNJLVHLUXJF-CVEARBPZSA-N 1 1 333.432 0.226 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000942248352 610356699 /nfs/dbraw/zinc/35/66/99/610356699.db2.gz SGEHNJLVHLUXJF-CVEARBPZSA-N 1 1 333.432 0.226 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C(C)(C)C1 ZINC000940783487 610360196 /nfs/dbraw/zinc/36/01/96/610360196.db2.gz YNCALPFBHRJFHP-KBPBESRZSA-N 1 1 333.432 0.764 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](C)C1 ZINC000942260684 610365318 /nfs/dbraw/zinc/36/53/18/610365318.db2.gz ZIEIXBHAIXDSIW-WDEREUQCSA-N 1 1 325.390 0.000 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(C)(C)C1 ZINC000940790225 610365474 /nfs/dbraw/zinc/36/54/74/610365474.db2.gz YFSURLLRZXTUKH-CQSZACIVSA-N 1 1 348.447 0.340 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccnc(OCC)c3)CC2)C1 ZINC000941560089 610382462 /nfs/dbraw/zinc/38/24/62/610382462.db2.gz WBYWDOCGEUGRPK-UHFFFAOYSA-N 1 1 342.443 0.946 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000940812746 610386383 /nfs/dbraw/zinc/38/63/83/610386383.db2.gz VFNGCCGBTUGAMF-BBRMVZONSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)CC2)C1 ZINC000941596956 610413940 /nfs/dbraw/zinc/41/39/40/610413940.db2.gz VBMKDFFKMGGTAK-KRWDZBQOSA-N 1 1 346.475 0.402 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)N3CCCC3=O)CC2)C1 ZINC000941636099 610421887 /nfs/dbraw/zinc/42/18/87/610421887.db2.gz ALZKGAXWSOQPPC-OAHLLOKOSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C(C)(C)C1 ZINC000940911757 610430217 /nfs/dbraw/zinc/43/02/17/610430217.db2.gz KDSGHGJAXDIBJR-HUUCEWRRSA-N 1 1 329.448 0.999 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C(=O)Nc3ccc(C)cc3)CC2)C1 ZINC000941661599 610434723 /nfs/dbraw/zinc/43/47/23/610434723.db2.gz BTFAENFXJWRRKM-UHFFFAOYSA-N 1 1 342.443 0.948 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cccc(C(=O)NC)c3)CC2)C1 ZINC000941672611 610445798 /nfs/dbraw/zinc/44/57/98/610445798.db2.gz YJPVAKVRDVDAST-UHFFFAOYSA-N 1 1 342.443 0.674 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3nnnc3c2)C(C)(C)C1 ZINC000940944735 610455941 /nfs/dbraw/zinc/45/59/41/610455941.db2.gz SQZAUMAMMICKRV-CQSZACIVSA-N 1 1 326.404 0.978 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC000942432550 610456873 /nfs/dbraw/zinc/45/68/73/610456873.db2.gz MZOSYKSEVQUBAU-ZIAGYGMSSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC000942432549 610456924 /nfs/dbraw/zinc/45/69/24/610456924.db2.gz MZOSYKSEVQUBAU-UONOGXRCSA-N 1 1 346.435 0.279 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000942434912 610460521 /nfs/dbraw/zinc/46/05/21/610460521.db2.gz LRKBEBVKPHXUNA-CHWSQXEVSA-N 1 1 345.403 0.761 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cccc(C(N)=O)n3)CC2)C1 ZINC000941682492 610461817 /nfs/dbraw/zinc/46/18/17/610461817.db2.gz VQDKMVJTUQUAFH-UHFFFAOYSA-N 1 1 343.431 0.199 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000942437225 610462918 /nfs/dbraw/zinc/46/29/18/610462918.db2.gz OBQLDWUURHDYRN-CQSZACIVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc(COC)s3)CC2)C1 ZINC000941690683 610465697 /nfs/dbraw/zinc/46/56/97/610465697.db2.gz NMSHLKBHCHEEKR-UHFFFAOYSA-N 1 1 348.472 0.755 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)C(C)(C)C2)cc1C#N ZINC000940994679 610475030 /nfs/dbraw/zinc/47/50/30/610475030.db2.gz XZMZPRNPFRKCQK-HNNXBMFYSA-N 1 1 344.415 0.769 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1 ZINC000941029685 610505695 /nfs/dbraw/zinc/50/56/95/610505695.db2.gz YUZIZUFQGBMKNO-OWCLPIDISA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C(C)(C)C1 ZINC000941044942 610509797 /nfs/dbraw/zinc/50/97/97/610509797.db2.gz NCWLIOLPYDTRJX-HNNXBMFYSA-N 1 1 328.416 0.952 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@H](C)C1 ZINC000942551304 610509789 /nfs/dbraw/zinc/50/97/89/610509789.db2.gz RBZOCBXQKRWUIO-DOMZBBRYSA-N 1 1 330.432 0.861 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941088237 610530460 /nfs/dbraw/zinc/53/04/60/610530460.db2.gz WOYPJGSUUYZHDM-JSGCOSHPSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941088237 610530461 /nfs/dbraw/zinc/53/04/61/610530461.db2.gz WOYPJGSUUYZHDM-JSGCOSHPSA-N 1 1 348.451 0.558 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931195 610567975 /nfs/dbraw/zinc/56/79/75/610567975.db2.gz XPVCAPHONBAKMH-DOMZBBRYSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000941160937 610569042 /nfs/dbraw/zinc/56/90/42/610569042.db2.gz JWXNKRQQCMIQFW-JTQLQIEISA-N 1 1 334.376 0.360 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000941145819 610572711 /nfs/dbraw/zinc/57/27/11/610572711.db2.gz UZQOWLVXQAHNEL-GFCCVEGCSA-N 1 1 336.436 0.720 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000941192312 610586705 /nfs/dbraw/zinc/58/67/05/610586705.db2.gz ZJOCEZHACZAHRL-AWEZNQCLSA-N 1 1 335.452 0.683 20 30 ECEDMO C[C@H]1C[N@H+](CCS(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966536 610588341 /nfs/dbraw/zinc/58/83/41/610588341.db2.gz LVTNMAVMEVEUEM-WCQYABFASA-N 1 1 338.433 0.371 20 30 ECEDMO C[C@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966536 610588342 /nfs/dbraw/zinc/58/83/42/610588342.db2.gz LVTNMAVMEVEUEM-WCQYABFASA-N 1 1 338.433 0.371 20 30 ECEDMO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000942744942 610595868 /nfs/dbraw/zinc/59/58/68/610595868.db2.gz QYUYEEBKWPATHB-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000941205606 610595974 /nfs/dbraw/zinc/59/59/74/610595974.db2.gz ALKXJTSPYREDJL-ZDUSSCGKSA-N 1 1 334.420 0.120 20 30 ECEDMO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000942752714 610599388 /nfs/dbraw/zinc/59/93/88/610599388.db2.gz VITHXJXGBYBKEH-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C(C)(C)C1 ZINC000941217438 610601321 /nfs/dbraw/zinc/60/13/21/610601321.db2.gz OVZFPTLEGGBVCJ-CYBMUJFWSA-N 1 1 326.404 0.517 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000941230719 610602062 /nfs/dbraw/zinc/60/20/62/610602062.db2.gz JQTZCFYBMCNVMV-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000941240568 610613256 /nfs/dbraw/zinc/61/32/56/610613256.db2.gz GMZKPYQJZBMLHS-GJYPPUQNSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000941240568 610613257 /nfs/dbraw/zinc/61/32/57/610613257.db2.gz GMZKPYQJZBMLHS-GJYPPUQNSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942057814 610636217 /nfs/dbraw/zinc/63/62/17/610636217.db2.gz PQNZAAIKMWRLLV-BXUZGUMPSA-N 1 1 345.432 0.633 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 ZINC000942099902 610650759 /nfs/dbraw/zinc/65/07/59/610650759.db2.gz MNZSEXUXBQYHFL-CABCVRRESA-N 1 1 343.493 0.815 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 ZINC000942102364 610651657 /nfs/dbraw/zinc/65/16/57/610651657.db2.gz XTNYHCINOIILNJ-ZIAGYGMSSA-N 1 1 329.466 0.425 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)C1 ZINC000942107427 610653838 /nfs/dbraw/zinc/65/38/38/610653838.db2.gz WDHRPHKBTPNHFO-GJZGRUSLSA-N 1 1 348.447 0.340 20 30 ECEDMO CCn1cc(CC[NH+]2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)cn1 ZINC000941349595 610685766 /nfs/dbraw/zinc/68/57/66/610685766.db2.gz ZFVNIXAJPONSGY-HNNXBMFYSA-N 1 1 344.463 0.434 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000942186821 610688405 /nfs/dbraw/zinc/68/84/05/610688405.db2.gz AILQGQCFPKTRHH-JQWIXIFHSA-N 1 1 325.390 0.000 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3C3CC3)CC2)C1 ZINC000941424692 610724804 /nfs/dbraw/zinc/72/48/04/610724804.db2.gz XHIGIMNVTKEBFE-UHFFFAOYSA-N 1 1 329.448 0.926 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000943198375 610743850 /nfs/dbraw/zinc/74/38/50/610743850.db2.gz IGOOAPUXESRSPL-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H](C)C1 ZINC000943229855 610755954 /nfs/dbraw/zinc/75/59/54/610755954.db2.gz FDTCADCFVAJDEY-KGLIPLIRSA-N 1 1 344.419 0.294 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C[C@H]2C)nc1 ZINC000944192871 610776248 /nfs/dbraw/zinc/77/62/48/610776248.db2.gz OBJYPXILFUARLZ-UKRRQHHQSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCS(C)(=O)=O)C[C@H]2C)nc1 ZINC000944192871 610776249 /nfs/dbraw/zinc/77/62/49/610776249.db2.gz OBJYPXILFUARLZ-UKRRQHHQSA-N 1 1 349.456 0.548 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 ZINC000944788563 610786755 /nfs/dbraw/zinc/78/67/55/610786755.db2.gz GHNXASSQLPPAJH-MWLCHTKSSA-N 1 1 328.800 0.117 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 ZINC000944788563 610786756 /nfs/dbraw/zinc/78/67/56/610786756.db2.gz GHNXASSQLPPAJH-MWLCHTKSSA-N 1 1 328.800 0.117 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@H]2CCOC2)C1 ZINC000943337537 610807876 /nfs/dbraw/zinc/80/78/76/610807876.db2.gz SHPSJOWQUPTPRL-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@H]2CCOC2)C1 ZINC000943337537 610807877 /nfs/dbraw/zinc/80/78/77/610807877.db2.gz SHPSJOWQUPTPRL-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@@H](C)OC)C1 ZINC000943338395 610808266 /nfs/dbraw/zinc/80/82/66/610808266.db2.gz XADCEZUEJBJDSE-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@@H](C)OC)C1 ZINC000943338395 610808267 /nfs/dbraw/zinc/80/82/67/610808267.db2.gz XADCEZUEJBJDSE-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)C2CCCC2)C1 ZINC000944439152 610865505 /nfs/dbraw/zinc/86/55/05/610865505.db2.gz ZNBSQACSZFKEDM-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)C2CCCC2)C1 ZINC000944439152 610865506 /nfs/dbraw/zinc/86/55/06/610865506.db2.gz ZNBSQACSZFKEDM-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]2C)nn1 ZINC000943480935 610868370 /nfs/dbraw/zinc/86/83/70/610868370.db2.gz HCCCZJOKDBATRY-OCCSQVGLSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]2C)nn1 ZINC000943480935 610868371 /nfs/dbraw/zinc/86/83/71/610868371.db2.gz HCCCZJOKDBATRY-OCCSQVGLSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]2C)nn1 ZINC000943480936 610868435 /nfs/dbraw/zinc/86/84/35/610868435.db2.gz HCCCZJOKDBATRY-TZMCWYRMSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]2C)nn1 ZINC000943480936 610868438 /nfs/dbraw/zinc/86/84/38/610868438.db2.gz HCCCZJOKDBATRY-TZMCWYRMSA-N 1 1 346.435 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCCO2)CC1 ZINC000943610396 610911559 /nfs/dbraw/zinc/91/15/59/610911559.db2.gz IDCAAROLIWQYPY-LUKYLMHMSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCCO2)CC1 ZINC000943610396 610911560 /nfs/dbraw/zinc/91/15/60/610911560.db2.gz IDCAAROLIWQYPY-LUKYLMHMSA-N 1 1 347.459 0.807 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H](C)C1 ZINC000943644952 610926434 /nfs/dbraw/zinc/92/64/34/610926434.db2.gz BMPFPTVXHROCFO-DOMZBBRYSA-N 1 1 341.415 0.795 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](C)C1 ZINC000945222845 610963113 /nfs/dbraw/zinc/96/31/13/610963113.db2.gz NRWJAVGWAUUSMA-PWSUYJOCSA-N 1 1 326.828 0.917 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](C)C1 ZINC000945222845 610963115 /nfs/dbraw/zinc/96/31/15/610963115.db2.gz NRWJAVGWAUUSMA-PWSUYJOCSA-N 1 1 326.828 0.917 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cnsn1 ZINC000943888858 611018172 /nfs/dbraw/zinc/01/81/72/611018172.db2.gz ZZHNSQWUDFMDMS-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cnsn1 ZINC000943888858 611018174 /nfs/dbraw/zinc/01/81/74/611018174.db2.gz ZZHNSQWUDFMDMS-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC000943902510 611023585 /nfs/dbraw/zinc/02/35/85/611023585.db2.gz KTPJWQQSARADJU-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC000943902510 611023588 /nfs/dbraw/zinc/02/35/88/611023588.db2.gz KTPJWQQSARADJU-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCCOC1 ZINC000943910290 611025021 /nfs/dbraw/zinc/02/50/21/611025021.db2.gz TZRYVEKUVGSPDM-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCCOC1 ZINC000943910290 611025024 /nfs/dbraw/zinc/02/50/24/611025024.db2.gz TZRYVEKUVGSPDM-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2(CC)CC2)CCO1 ZINC000944644153 611049442 /nfs/dbraw/zinc/04/94/42/611049442.db2.gz AAIXBRWQRXWCOB-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2(CC)CC2)CCO1 ZINC000944644153 611049443 /nfs/dbraw/zinc/04/94/43/611049443.db2.gz AAIXBRWQRXWCOB-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000944027947 611088950 /nfs/dbraw/zinc/08/89/50/611088950.db2.gz YKEOFTVAQOXDGI-UONOGXRCSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC000944098391 611131215 /nfs/dbraw/zinc/13/12/15/611131215.db2.gz UIEVUHKBTFEEMM-ZBFHGGJFSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC000944098391 611131216 /nfs/dbraw/zinc/13/12/16/611131216.db2.gz UIEVUHKBTFEEMM-ZBFHGGJFSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000944100177 611131935 /nfs/dbraw/zinc/13/19/35/611131935.db2.gz NKUPSBHBBYMZIG-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c(OC)ncnc2OC)[C@@H](C)C1 ZINC000945944054 611163101 /nfs/dbraw/zinc/16/31/01/611163101.db2.gz RCLAGYCSEVECOP-QWHCGFSZSA-N 1 1 332.404 0.957 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC[C@@H]2C1 ZINC000946836666 611185539 /nfs/dbraw/zinc/18/55/39/611185539.db2.gz KCZXBYKVDCYZFR-OKILXGFUSA-N 1 1 328.416 0.921 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC000946851531 611196149 /nfs/dbraw/zinc/19/61/49/611196149.db2.gz ZWPFVYZPRMNHTM-GASCZTMLSA-N 1 1 346.431 0.122 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1 ZINC000946875354 611215088 /nfs/dbraw/zinc/21/50/88/611215088.db2.gz NDNRCJIBPNHZDC-HDICACEKSA-N 1 1 339.439 0.866 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)CC[C@@H]2C1 ZINC000946882280 611222261 /nfs/dbraw/zinc/22/22/61/611222261.db2.gz GMKBNOWZFAWJLH-GASCZTMLSA-N 1 1 328.416 0.588 20 30 ECEDMO N#Cc1ccc([C@@H](O)CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413099 611240577 /nfs/dbraw/zinc/24/05/77/611240577.db2.gz BLDCKKQSTFILNM-YVSFHVDLSA-N 1 1 342.399 0.459 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnc(C)n4C3)CC[C@@H]2C1 ZINC000946899817 611241335 /nfs/dbraw/zinc/24/13/35/611241335.db2.gz QJLUFLVINQQUEK-BBWFWOEESA-N 1 1 341.459 0.953 20 30 ECEDMO C#CCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000921528123 611246983 /nfs/dbraw/zinc/24/69/83/611246983.db2.gz SYWYOHVBTXVAKF-ROUUACIJSA-N 1 1 348.491 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c([nH]c2=O)CCC[C@@H]3O)C1 ZINC000923554276 611260070 /nfs/dbraw/zinc/26/00/70/611260070.db2.gz MCWLWWOAHJQZQE-LRDDRELGSA-N 1 1 329.400 0.984 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c([nH]c2=O)CCC[C@@H]3O)C1 ZINC000923554276 611260072 /nfs/dbraw/zinc/26/00/72/611260072.db2.gz MCWLWWOAHJQZQE-LRDDRELGSA-N 1 1 329.400 0.984 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)C1 ZINC000923578870 611266865 /nfs/dbraw/zinc/26/68/65/611266865.db2.gz KEKXXPRQWDYJDI-CQSZACIVSA-N 1 1 341.415 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)C1 ZINC000923578870 611266866 /nfs/dbraw/zinc/26/68/66/611266866.db2.gz KEKXXPRQWDYJDI-CQSZACIVSA-N 1 1 341.415 0.808 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccccc2)C1 ZINC000923587773 611269911 /nfs/dbraw/zinc/26/99/11/611269911.db2.gz DTDLNVLJXVWGFD-HNNXBMFYSA-N 1 1 349.456 0.521 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccccc2)C1 ZINC000923587773 611269912 /nfs/dbraw/zinc/26/99/12/611269912.db2.gz DTDLNVLJXVWGFD-HNNXBMFYSA-N 1 1 349.456 0.521 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000923590140 611270303 /nfs/dbraw/zinc/27/03/03/611270303.db2.gz RCBQYGDACFZFFV-LBPRGKRZSA-N 1 1 326.356 0.044 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000923590140 611270305 /nfs/dbraw/zinc/27/03/05/611270305.db2.gz RCBQYGDACFZFFV-LBPRGKRZSA-N 1 1 326.356 0.044 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000923591326 611270984 /nfs/dbraw/zinc/27/09/84/611270984.db2.gz WIUNUCFSEZALGS-AWEZNQCLSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000923591326 611270986 /nfs/dbraw/zinc/27/09/86/611270986.db2.gz WIUNUCFSEZALGS-AWEZNQCLSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000834536795 611291449 /nfs/dbraw/zinc/29/14/49/611291449.db2.gz UKQIYLRXHJUWQA-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2CC1 ZINC000946514523 611295110 /nfs/dbraw/zinc/29/51/10/611295110.db2.gz FVNOYYBOIXHYML-KFWWJZLASA-N 1 1 346.431 0.465 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000834687428 611296826 /nfs/dbraw/zinc/29/68/26/611296826.db2.gz ZLIALBCRSPAMPY-HZPDHXFCSA-N 1 1 335.448 0.333 20 30 ECEDMO CON1CCC(=NNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000834924848 611305478 /nfs/dbraw/zinc/30/54/78/611305478.db2.gz HFYZEYQPGZLQED-UHFFFAOYSA-N 1 1 329.470 0.186 20 30 ECEDMO C#CCN1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000073640850 611306014 /nfs/dbraw/zinc/30/60/14/611306014.db2.gz VEXIMQJVKKCRHE-UHFFFAOYSA-N 1 1 340.471 0.825 20 30 ECEDMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1 ZINC000946542461 611313744 /nfs/dbraw/zinc/31/37/44/611313744.db2.gz PXRFMERHLMIGOA-BNOWGMLFSA-N 1 1 329.404 0.544 20 30 ECEDMO C[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000921955052 611327816 /nfs/dbraw/zinc/32/78/16/611327816.db2.gz CHBNRNHAJYAEQW-UPJWGTAASA-N 1 1 337.424 0.749 20 30 ECEDMO COCCCS(=O)(=O)NCC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933651534 611738611 /nfs/dbraw/zinc/73/86/11/611738611.db2.gz LNCGHTZSNOYJCM-UHFFFAOYSA-N 1 1 346.449 0.280 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@H](C)C2)nc1 ZINC000947948636 611752500 /nfs/dbraw/zinc/75/25/00/611752500.db2.gz OLZTVYHJWHRGEW-ZBFHGGJFSA-N 1 1 338.415 0.937 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCOC2CCSCC2)CC1 ZINC000929510394 611761044 /nfs/dbraw/zinc/76/10/44/611761044.db2.gz GMYWDPRKDKYEGY-UHFFFAOYSA-N 1 1 325.478 0.266 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2c3ccccc3CCN2CC#N)C1 ZINC000948987447 611788130 /nfs/dbraw/zinc/78/81/30/611788130.db2.gz YDSLZNURLBQUBZ-ROUUACIJSA-N 1 1 342.443 0.946 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2c3ccccc3CCN2CC#N)C1 ZINC000948987447 611788133 /nfs/dbraw/zinc/78/81/33/611788133.db2.gz YDSLZNURLBQUBZ-ROUUACIJSA-N 1 1 342.443 0.946 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3ccn(C)n3)CC2)C1 ZINC000949052208 611830090 /nfs/dbraw/zinc/83/00/90/611830090.db2.gz YTWLCRGYXPTWNN-CQSZACIVSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000950685142 611836016 /nfs/dbraw/zinc/83/60/16/611836016.db2.gz RDYWBJIVURAQEV-HRCADAONSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000950685142 611836018 /nfs/dbraw/zinc/83/60/18/611836018.db2.gz RDYWBJIVURAQEV-HRCADAONSA-N 1 1 335.448 0.208 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1COC(=O)N1)CCO2 ZINC000949083412 611846179 /nfs/dbraw/zinc/84/61/79/611846179.db2.gz FBPIHIFNPMXWIR-GFCCVEGCSA-N 1 1 343.811 0.541 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)nn1C ZINC000950754553 611889708 /nfs/dbraw/zinc/88/97/08/611889708.db2.gz VZTZQEUJJWLTIF-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)nn1C ZINC000950754553 611889710 /nfs/dbraw/zinc/88/97/10/611889710.db2.gz VZTZQEUJJWLTIF-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cccnc1 ZINC000950754541 611889845 /nfs/dbraw/zinc/88/98/45/611889845.db2.gz VVRVRGNVVIRCSK-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cccnc1 ZINC000950754541 611889848 /nfs/dbraw/zinc/88/98/48/611889848.db2.gz VVRVRGNVVIRCSK-CVEARBPZSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cncs1 ZINC000950754782 611890345 /nfs/dbraw/zinc/89/03/45/611890345.db2.gz YVTVZOVFDJTYHL-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cncs1 ZINC000950754782 611890347 /nfs/dbraw/zinc/89/03/47/611890347.db2.gz YVTVZOVFDJTYHL-STQMWFEESA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(F)cn1 ZINC000950755072 611890534 /nfs/dbraw/zinc/89/05/34/611890534.db2.gz COWYFBVRXVIJRH-ZBFHGGJFSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(F)cn1 ZINC000950755072 611890535 /nfs/dbraw/zinc/89/05/35/611890535.db2.gz COWYFBVRXVIJRH-ZBFHGGJFSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1CC2(CC2)C1 ZINC000950755886 611891864 /nfs/dbraw/zinc/89/18/64/611891864.db2.gz XAYYMJYLVZHMLJ-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1CC2(CC2)C1 ZINC000950755886 611891865 /nfs/dbraw/zinc/89/18/65/611891865.db2.gz XAYYMJYLVZHMLJ-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC000950197303 611902186 /nfs/dbraw/zinc/90/21/86/611902186.db2.gz WJGIPOXXTPHFQT-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cccn4nnnc34)CC2)C1 ZINC000949376096 611956077 /nfs/dbraw/zinc/95/60/77/611956077.db2.gz RLIVGHAAJNNSHA-UHFFFAOYSA-N 1 1 342.403 0.617 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cccn4nnnc34)CC2)C1 ZINC000949376096 611956079 /nfs/dbraw/zinc/95/60/79/611956079.db2.gz RLIVGHAAJNNSHA-UHFFFAOYSA-N 1 1 342.403 0.617 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC000949405645 611967123 /nfs/dbraw/zinc/96/71/23/611967123.db2.gz BYDHYIHHUUHSBA-UHFFFAOYSA-N 1 1 347.459 0.716 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000950321926 611970188 /nfs/dbraw/zinc/97/01/88/611970188.db2.gz CVTPVPDPHUVOGA-AWEZNQCLSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC000949426948 611975340 /nfs/dbraw/zinc/97/53/40/611975340.db2.gz CDGZFGHYNFJBEC-QGZVFWFLSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)C1 ZINC000949493236 612004786 /nfs/dbraw/zinc/00/47/86/612004786.db2.gz QMMJJDQNXPYPRZ-UHFFFAOYSA-N 1 1 349.431 0.309 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC000949500220 612009441 /nfs/dbraw/zinc/00/94/41/612009441.db2.gz APHKYBACWOQLJV-UHFFFAOYSA-N 1 1 332.404 0.607 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC000949500220 612009442 /nfs/dbraw/zinc/00/94/42/612009442.db2.gz APHKYBACWOQLJV-UHFFFAOYSA-N 1 1 332.404 0.607 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)nc3)CC2)C1 ZINC000949536830 612025246 /nfs/dbraw/zinc/02/52/46/612025246.db2.gz NTRPMWYQZSAQLO-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)nc3)CC2)C1 ZINC000949536830 612025248 /nfs/dbraw/zinc/02/52/48/612025248.db2.gz NTRPMWYQZSAQLO-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000951224087 612088988 /nfs/dbraw/zinc/08/89/88/612088988.db2.gz XPWIVAWKNAVSCE-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000951224087 612088990 /nfs/dbraw/zinc/08/89/90/612088990.db2.gz XPWIVAWKNAVSCE-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cncn2C)C1 ZINC000951223824 612089053 /nfs/dbraw/zinc/08/90/53/612089053.db2.gz QNHJJGZGBIXQJT-GJZGRUSLSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cncn2C)C1 ZINC000951223824 612089055 /nfs/dbraw/zinc/08/90/55/612089055.db2.gz QNHJJGZGBIXQJT-GJZGRUSLSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ncccn2)C1 ZINC000951224138 612089301 /nfs/dbraw/zinc/08/93/01/612089301.db2.gz YIAPUCJYHPXWRU-GJZGRUSLSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ncccn2)C1 ZINC000951224138 612089304 /nfs/dbraw/zinc/08/93/04/612089304.db2.gz YIAPUCJYHPXWRU-GJZGRUSLSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000951224128 612089345 /nfs/dbraw/zinc/08/93/45/612089345.db2.gz YDXUESBBOKBZMP-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000951224128 612089348 /nfs/dbraw/zinc/08/93/48/612089348.db2.gz YDXUESBBOKBZMP-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1)CC2 ZINC000951852925 612096348 /nfs/dbraw/zinc/09/63/48/612096348.db2.gz QRWAZKBYGOPYAW-WBVHZDCISA-N 1 1 340.427 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2nonc2C)C1 ZINC000951258840 612112589 /nfs/dbraw/zinc/11/25/89/612112589.db2.gz LLPUPPUBPYLNJK-KBPBESRZSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2nonc2C)C1 ZINC000951258840 612112592 /nfs/dbraw/zinc/11/25/92/612112592.db2.gz LLPUPPUBPYLNJK-KBPBESRZSA-N 1 1 345.403 0.196 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000952012686 612176050 /nfs/dbraw/zinc/17/60/50/612176050.db2.gz XIMMTZNBIACGMN-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000953173057 612192467 /nfs/dbraw/zinc/19/24/67/612192467.db2.gz RYABFRKRGLITDK-CXAGYDPISA-N 1 1 329.404 0.802 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000954470940 612308927 /nfs/dbraw/zinc/30/89/27/612308927.db2.gz WCJTWOOAEYVYOH-ZFWWWQNUSA-N 1 1 335.448 0.731 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000952281950 612343567 /nfs/dbraw/zinc/34/35/67/612343567.db2.gz XEEVBNKZEYTHSN-CQSZACIVSA-N 1 1 343.431 0.806 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)C1CN(C(=O)C#CC3CC3)C1)C2 ZINC000955340546 612461842 /nfs/dbraw/zinc/46/18/42/612461842.db2.gz DAEIVYGUVKALIY-HNNXBMFYSA-N 1 1 340.427 0.837 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954630768 612468561 /nfs/dbraw/zinc/46/85/61/612468561.db2.gz JEBSXAKDYORRJZ-INIZCTEOSA-N 1 1 339.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954630768 612468562 /nfs/dbraw/zinc/46/85/62/612468562.db2.gz JEBSXAKDYORRJZ-INIZCTEOSA-N 1 1 339.399 0.267 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000954631582 612470539 /nfs/dbraw/zinc/47/05/39/612470539.db2.gz ZMGTYZDTBRAEIP-IKGGRYGDSA-N 1 1 345.443 0.344 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000954631582 612470544 /nfs/dbraw/zinc/47/05/44/612470544.db2.gz ZMGTYZDTBRAEIP-IKGGRYGDSA-N 1 1 345.443 0.344 20 30 ECEDMO CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954636356 612476181 /nfs/dbraw/zinc/47/61/81/612476181.db2.gz KNAXGAODXVCZCI-CHWSQXEVSA-N 1 1 338.371 0.696 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cocn2)C1 ZINC000956768573 612496922 /nfs/dbraw/zinc/49/69/22/612496922.db2.gz GAYNITHBUGFDHT-YOEHRIQHSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cocn2)C1 ZINC000956768573 612496926 /nfs/dbraw/zinc/49/69/26/612496926.db2.gz GAYNITHBUGFDHT-YOEHRIQHSA-N 1 1 330.388 0.493 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC000952592567 612540430 /nfs/dbraw/zinc/54/04/30/612540430.db2.gz CUOUPKRYZBZGIE-CFVMTHIKSA-N 1 1 329.404 0.943 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000954059959 612610811 /nfs/dbraw/zinc/61/08/11/612610811.db2.gz YKLHSVVPPBLFHZ-GFCCVEGCSA-N 1 1 347.419 0.959 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956841860 612614961 /nfs/dbraw/zinc/61/49/61/612614961.db2.gz RTAWPSNZAFVQBP-UGSOOPFHSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956842662 612617223 /nfs/dbraw/zinc/61/72/23/612617223.db2.gz JZKYFNFQDCLZLB-FZKQIMNGSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954088685 612647954 /nfs/dbraw/zinc/64/79/54/612647954.db2.gz XNSRTMZJKFMONM-SMDDNHRTSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC000956072703 612676617 /nfs/dbraw/zinc/67/66/17/612676617.db2.gz HEAMADDOBSAMQX-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC000956072703 612676619 /nfs/dbraw/zinc/67/66/19/612676619.db2.gz HEAMADDOBSAMQX-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cnsn1 ZINC000956074135 612677985 /nfs/dbraw/zinc/67/79/85/612677985.db2.gz SXFONLMVPNDNQA-JSGCOSHPSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cnsn1 ZINC000956074135 612677989 /nfs/dbraw/zinc/67/79/89/612677989.db2.gz SXFONLMVPNDNQA-JSGCOSHPSA-N 1 1 347.444 0.357 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956935479 612718869 /nfs/dbraw/zinc/71/88/69/612718869.db2.gz VOCHHFZWABYOEN-PXAZEXFGSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1csnn1 ZINC000956115252 612720648 /nfs/dbraw/zinc/72/06/48/612720648.db2.gz LQOWYDYCLCPGIB-JSGCOSHPSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1csnn1 ZINC000956115252 612720652 /nfs/dbraw/zinc/72/06/52/612720652.db2.gz LQOWYDYCLCPGIB-JSGCOSHPSA-N 1 1 347.444 0.357 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954839933 612735298 /nfs/dbraw/zinc/73/52/98/612735298.db2.gz KDFOHEOEPLQAMS-UAGQMJEPSA-N 1 1 349.475 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000954913620 612783455 /nfs/dbraw/zinc/78/34/55/612783455.db2.gz YLDLECOXMDUNFM-MRXNPFEDSA-N 1 1 326.400 0.440 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000954402989 612893083 /nfs/dbraw/zinc/89/30/83/612893083.db2.gz FOXQHXZONRAPJH-PMPSAXMXSA-N 1 1 335.448 0.731 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954405239 612894591 /nfs/dbraw/zinc/89/45/91/612894591.db2.gz YAVMLUUYGOUJBU-DZUCGIPZSA-N 1 1 349.475 0.977 20 30 ECEDMO Cc1ncc(C#N)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737594 720670906 /nfs/dbraw/zinc/67/09/06/720670906.db2.gz GLTQBOOTOHFFSA-CABCVRRESA-N 1 1 337.387 0.789 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C2)C1 ZINC001041786343 782204989 /nfs/dbraw/zinc/20/49/89/782204989.db2.gz UGLNYZZXRIBMEK-INIZCTEOSA-N 1 1 332.360 0.068 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cncc3C)C2)C1=O ZINC000971950285 735429693 /nfs/dbraw/zinc/42/96/93/735429693.db2.gz SMQNYRNEQVVOJN-HZPDHXFCSA-N 1 1 345.447 0.511 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(CC4CC4)nn3)[C@H]2C1 ZINC001083235885 735496221 /nfs/dbraw/zinc/49/62/21/735496221.db2.gz AFTFXPOTWITSAV-JKSUJKDBSA-N 1 1 331.420 0.789 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cn(CC4CC4)nn3)[C@H]2C1 ZINC001083235885 735496226 /nfs/dbraw/zinc/49/62/26/735496226.db2.gz AFTFXPOTWITSAV-JKSUJKDBSA-N 1 1 331.420 0.789 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CCn3cnccc3=O)[C@H]2C1 ZINC001083236206 735499867 /nfs/dbraw/zinc/49/98/67/735499867.db2.gz QGQNMEVBYRQADZ-LSDHHAIUSA-N 1 1 332.404 0.121 20 30 ECEDMO Cc1cc(NC[C@H](C)N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001104539039 738447620 /nfs/dbraw/zinc/44/76/20/738447620.db2.gz SGJPFSYFIYBCAL-BBRMVZONSA-N 1 1 331.420 0.273 20 30 ECEDMO Cc1cc(NC[C@H](C)N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001104539039 738447622 /nfs/dbraw/zinc/44/76/22/738447622.db2.gz SGJPFSYFIYBCAL-BBRMVZONSA-N 1 1 331.420 0.273 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1ccc(C#N)nc1 ZINC001111582864 731520831 /nfs/dbraw/zinc/52/08/31/731520831.db2.gz UAGNOVHBDRBNCG-KRWDZBQOSA-N 1 1 341.415 0.284 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1ccc(C#N)nc1 ZINC001111582864 731520832 /nfs/dbraw/zinc/52/08/32/731520832.db2.gz UAGNOVHBDRBNCG-KRWDZBQOSA-N 1 1 341.415 0.284 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ncc(OC)cn2)[C@@H](n2ccnn2)C1 ZINC001069974675 790267228 /nfs/dbraw/zinc/26/72/28/790267228.db2.gz KLDCKICMDFSTAI-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069974678 790267572 /nfs/dbraw/zinc/26/75/72/790267572.db2.gz KOLHVTLNKLZCPG-ZNMIVQPWSA-N 1 1 346.435 0.255 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC000969148062 731531700 /nfs/dbraw/zinc/53/17/00/731531700.db2.gz OLYJULPCXBXDNM-IAGOWNOFSA-N 1 1 335.448 0.618 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1C#N ZINC001125278473 731547636 /nfs/dbraw/zinc/54/76/36/731547636.db2.gz DHVMIEYNWLDGBJ-HOCLYGCPSA-N 1 1 345.447 0.693 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cccnc3)C2)C1=O ZINC000969209049 731600250 /nfs/dbraw/zinc/60/02/50/731600250.db2.gz FCBRUUORHYFGNF-CJNGLKHVSA-N 1 1 328.416 0.919 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)cn1 ZINC001041794894 782223497 /nfs/dbraw/zinc/22/34/97/782223497.db2.gz XQGYNBVVBSZQMM-QFBILLFUSA-N 1 1 338.411 0.489 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001041806159 782239367 /nfs/dbraw/zinc/23/93/67/782239367.db2.gz UXYPKPSVASVVDP-CVEARBPZSA-N 1 1 339.461 0.016 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cnn(CC)c3)C2)C1=O ZINC000969418645 731842275 /nfs/dbraw/zinc/84/22/75/731842275.db2.gz UMNILMCPMYLKJK-CJNGLKHVSA-N 1 1 345.447 0.740 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCc4nc[nH]c43)[C@H]2C1 ZINC001083189918 731864399 /nfs/dbraw/zinc/86/43/99/731864399.db2.gz ORINVGRRUVJKBK-CWRNSKLLSA-N 1 1 328.416 0.765 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCc4nc[nH]c43)[C@H]2C1 ZINC001083189918 731864405 /nfs/dbraw/zinc/86/44/05/731864405.db2.gz ORINVGRRUVJKBK-CWRNSKLLSA-N 1 1 328.416 0.765 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCc4nc[nH]c43)[C@H]2C1 ZINC001083189919 731864592 /nfs/dbraw/zinc/86/45/92/731864592.db2.gz ORINVGRRUVJKBK-VNQPRFMTSA-N 1 1 328.416 0.765 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCc4nc[nH]c43)[C@H]2C1 ZINC001083189919 731864595 /nfs/dbraw/zinc/86/45/95/731864595.db2.gz ORINVGRRUVJKBK-VNQPRFMTSA-N 1 1 328.416 0.765 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[NH+]1CC([C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000969505730 731934724 /nfs/dbraw/zinc/93/47/24/731934724.db2.gz DKJKSMGCJRUTIW-WDEREUQCSA-N 1 1 329.404 0.604 20 30 ECEDMO CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000969515204 731935903 /nfs/dbraw/zinc/93/59/03/731935903.db2.gz YBOXIWZEDAWKOC-NHYWBVRUSA-N 1 1 329.404 0.557 20 30 ECEDMO CCOCC(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001111963855 738558520 /nfs/dbraw/zinc/55/85/20/738558520.db2.gz YIUKLMGBSHBRLJ-INIZCTEOSA-N 1 1 343.431 0.713 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCN(C(=O)CC)C2)CC1 ZINC001098524550 732068333 /nfs/dbraw/zinc/06/83/33/732068333.db2.gz LWPDOAGZBJOQFY-MRXNPFEDSA-N 1 1 349.475 0.554 20 30 ECEDMO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973047241 738583542 /nfs/dbraw/zinc/58/35/42/738583542.db2.gz IVBZWWVDUJDXDD-KGLIPLIRSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973047241 738583545 /nfs/dbraw/zinc/58/35/45/738583545.db2.gz IVBZWWVDUJDXDD-KGLIPLIRSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCOCCCOC)CC1 ZINC001098526404 732523668 /nfs/dbraw/zinc/52/36/68/732523668.db2.gz IUZDWVBBLAQHPX-UHFFFAOYSA-N 1 1 340.464 0.738 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccnc(OC)c3)[C@H]2C1 ZINC001083193729 732626251 /nfs/dbraw/zinc/62/62/51/732626251.db2.gz GCGZUBOJBYFTPP-JKSUJKDBSA-N 1 1 329.400 0.568 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001025090230 738628453 /nfs/dbraw/zinc/62/84/53/738628453.db2.gz DWXSZFVTHCFUGY-MCIONIFRSA-N 1 1 334.424 0.272 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001041821024 782271333 /nfs/dbraw/zinc/27/13/33/782271333.db2.gz CFEBCOZMVVWRSY-MRXNPFEDSA-N 1 1 349.822 0.866 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001041821024 782271342 /nfs/dbraw/zinc/27/13/42/782271342.db2.gz CFEBCOZMVVWRSY-MRXNPFEDSA-N 1 1 349.822 0.866 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1 ZINC001098528761 732891840 /nfs/dbraw/zinc/89/18/40/732891840.db2.gz OZZIYNJTUBQKHZ-UHFFFAOYSA-N 1 1 337.464 0.716 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ncnn2C)nn1 ZINC001025108478 738666420 /nfs/dbraw/zinc/66/64/20/738666420.db2.gz ZZANWHACXBKWHZ-CYBMUJFWSA-N 1 1 344.423 0.377 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)C[C@@H](C)N2CCCC2=O)CC1 ZINC001098530804 733027331 /nfs/dbraw/zinc/02/73/31/733027331.db2.gz OHEKHPXFSKJRNK-OAHLLOKOSA-N 1 1 337.464 0.859 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1ccnc(C#N)n1 ZINC001104244468 733051378 /nfs/dbraw/zinc/05/13/78/733051378.db2.gz FLRBEKQGGFKDAM-KGLIPLIRSA-N 1 1 330.436 0.809 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC001098533152 733065057 /nfs/dbraw/zinc/06/50/57/733065057.db2.gz UTLMLXRVIAFNQV-CQSZACIVSA-N 1 1 332.448 0.986 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)CCCC(=O)NCC)CC1 ZINC001098534710 733103379 /nfs/dbraw/zinc/10/33/79/733103379.db2.gz BBRZFQUMVLVTQM-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CCc2c[nH]nn2)CC1 ZINC001167267388 733109712 /nfs/dbraw/zinc/10/97/12/733109712.db2.gz RTSCXGKSNVWHOF-CYBMUJFWSA-N 1 1 348.451 0.304 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CCc2cnn[nH]2)CC1 ZINC001167267388 733109713 /nfs/dbraw/zinc/10/97/13/733109713.db2.gz RTSCXGKSNVWHOF-CYBMUJFWSA-N 1 1 348.451 0.304 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=COCCC2)C1 ZINC000973090476 738688990 /nfs/dbraw/zinc/68/89/90/738688990.db2.gz PXZUQSZOHFFTLG-JYJNAYRXSA-N 1 1 331.416 0.542 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2=COCCC2)C1 ZINC000973090476 738688991 /nfs/dbraw/zinc/68/89/91/738688991.db2.gz PXZUQSZOHFFTLG-JYJNAYRXSA-N 1 1 331.416 0.542 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3c[nH]nc3C)C2)C1=O ZINC000970243314 733259775 /nfs/dbraw/zinc/25/97/75/733259775.db2.gz BFDHXKPOLNKXHD-XHDPSFHLSA-N 1 1 331.420 0.555 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCN(C)C3=O)C2)cc1 ZINC000970258891 733266966 /nfs/dbraw/zinc/26/69/66/733266966.db2.gz CNDWKQAKXCWTPY-DYVFJYSZSA-N 1 1 325.412 0.949 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970278126 733296190 /nfs/dbraw/zinc/29/61/90/733296190.db2.gz UUELNIOUEZTRGU-PBHICJAKSA-N 1 1 340.427 0.498 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNc2ccc(C#N)nn2)CC1 ZINC001067470961 733331115 /nfs/dbraw/zinc/33/11/15/733331115.db2.gz KNCGWIJGTQQDBL-CQSZACIVSA-N 1 1 344.419 0.208 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC000970378611 733443289 /nfs/dbraw/zinc/44/32/89/733443289.db2.gz XMNDYMCUCNRJAR-SWLSCSKDSA-N 1 1 333.432 0.975 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC000970400649 733472103 /nfs/dbraw/zinc/47/21/03/733472103.db2.gz CVPYKLFYVZJTEW-QWHCGFSZSA-N 1 1 328.416 0.590 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC001078130224 782347850 /nfs/dbraw/zinc/34/78/50/782347850.db2.gz SYWFLMXJICGPQK-HUUCEWRRSA-N 1 1 332.400 0.738 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3cn(CCOC)nn3)CC2)C1 ZINC001039177029 733549212 /nfs/dbraw/zinc/54/92/12/733549212.db2.gz PAFVKGUIAIYZEC-INIZCTEOSA-N 1 1 345.447 0.732 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC000970635925 733766392 /nfs/dbraw/zinc/76/63/92/733766392.db2.gz BZVNZPLSOOISEU-ZNMIVQPWSA-N 1 1 337.464 0.761 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC000970711854 733859436 /nfs/dbraw/zinc/85/94/36/733859436.db2.gz SPWYEQWQBUUPAI-CYBMUJFWSA-N 1 1 331.420 0.703 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970713159 733863150 /nfs/dbraw/zinc/86/31/50/733863150.db2.gz GGDKUOVCOBDNFO-ZDUSSCGKSA-N 1 1 346.431 0.785 20 30 ECEDMO C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)CCc2nc[nH]n2)c1 ZINC001125408916 733890483 /nfs/dbraw/zinc/89/04/83/733890483.db2.gz GFMDQJKGLUWYQT-UHFFFAOYSA-N 1 1 340.387 0.063 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001111488273 734111499 /nfs/dbraw/zinc/11/14/99/734111499.db2.gz FBDDZSHNGXPBCL-XZDPQHSOSA-N 1 1 335.448 0.825 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001111488273 734111502 /nfs/dbraw/zinc/11/15/02/734111502.db2.gz FBDDZSHNGXPBCL-XZDPQHSOSA-N 1 1 335.448 0.825 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cnccn3)C2)C1=O ZINC000970992611 734152436 /nfs/dbraw/zinc/15/24/36/734152436.db2.gz CBSXFODYSJBSNL-UKRRQHHQSA-N 1 1 329.404 0.410 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cnn(C)c3)C2)C1=O ZINC000971049927 734212264 /nfs/dbraw/zinc/21/22/64/734212264.db2.gz VXHYTVPFLGYNMQ-HUUCEWRRSA-N 1 1 331.420 0.353 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cncc(C)c2)C1 ZINC000973123240 738797310 /nfs/dbraw/zinc/79/73/10/738797310.db2.gz BVCZJRAVELSAEN-ULQDDVLXSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cncc(C)c2)C1 ZINC000973123240 738797313 /nfs/dbraw/zinc/79/73/13/738797313.db2.gz BVCZJRAVELSAEN-ULQDDVLXSA-N 1 1 340.427 0.865 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(c2ncccc2C#N)CCO1 ZINC001104318630 734284110 /nfs/dbraw/zinc/28/41/10/734284110.db2.gz OODFCSXJHGRLJZ-HNNXBMFYSA-N 1 1 340.387 0.480 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC([N@H+](CCO)C[C@H](C)O)CC1 ZINC001098548835 734340174 /nfs/dbraw/zinc/34/01/74/734340174.db2.gz ZWYSGCCHQSRERL-INIZCTEOSA-N 1 1 344.455 0.877 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104328741 734346835 /nfs/dbraw/zinc/34/68/35/734346835.db2.gz MYVFAFSKIKTNKT-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971204971 734361150 /nfs/dbraw/zinc/36/11/50/734361150.db2.gz RHLPUXXFUACSGW-BXUZGUMPSA-N 1 1 332.429 0.931 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2nnn(C(C)(C)C)n2)C1 ZINC000971211377 734362680 /nfs/dbraw/zinc/36/26/80/734362680.db2.gz QRQHJHCDGSBXCR-CHWSQXEVSA-N 1 1 333.440 0.663 20 30 ECEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CC(N)=O)C2)cc1C#N ZINC000971239754 734381899 /nfs/dbraw/zinc/38/18/99/734381899.db2.gz RUAVMIVXINBARH-CQSZACIVSA-N 1 1 330.388 0.475 20 30 ECEDMO CN1CCC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000971288406 734421556 /nfs/dbraw/zinc/42/15/56/734421556.db2.gz IXOQTPKMHDEXFK-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc[nH]3)[C@@H]2C1 ZINC000971306215 734432995 /nfs/dbraw/zinc/43/29/95/734432995.db2.gz KRZWLWGVALAVLH-HYVNUMGLSA-N 1 1 340.427 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc[nH]3)[C@@H]2C1 ZINC000971306215 734432997 /nfs/dbraw/zinc/43/29/97/734432997.db2.gz KRZWLWGVALAVLH-HYVNUMGLSA-N 1 1 340.427 0.785 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971375497 734487666 /nfs/dbraw/zinc/48/76/66/734487666.db2.gz AOIKVKUNXCQIMA-CQSZACIVSA-N 1 1 330.392 0.058 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cncnc3)C2)C1=O ZINC000971394225 734506642 /nfs/dbraw/zinc/50/66/42/734506642.db2.gz NQKMRMPUKARDTB-LSDHHAIUSA-N 1 1 329.404 0.410 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 ZINC001104349571 734521524 /nfs/dbraw/zinc/52/15/24/734521524.db2.gz ILCNBDPLSVHVII-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3ncccc3C#N)CCO2)C1 ZINC001104350406 734526586 /nfs/dbraw/zinc/52/65/86/734526586.db2.gz WBDXWXOCZNFPKE-GOEBONIOSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3nccn3CC)C2)C1=O ZINC000971423043 734559799 /nfs/dbraw/zinc/55/97/99/734559799.db2.gz KKSAKTXTIYRONZ-HUUCEWRRSA-N 1 1 345.447 0.836 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cncnc3)C2)C1=O ZINC000971427388 734568703 /nfs/dbraw/zinc/56/87/03/734568703.db2.gz OQVMNJQFDQICQF-CVEARBPZSA-N 1 1 343.431 0.339 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078174841 782430693 /nfs/dbraw/zinc/43/06/93/782430693.db2.gz UNPTXOJBJULQML-GVDBMIGSSA-N 1 1 328.416 0.171 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@@H+]2CC(N)=O)[nH]1 ZINC001025222890 738833899 /nfs/dbraw/zinc/83/38/99/738833899.db2.gz XOPFUBJSPYGMNR-HUUCEWRRSA-N 1 1 329.404 0.831 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cnnn3CC)C2)C1=O ZINC000971496121 734690042 /nfs/dbraw/zinc/69/00/42/734690042.db2.gz JVHLUEKWDCRTIL-KGLIPLIRSA-N 1 1 346.435 0.231 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCO1 ZINC000971512197 734698490 /nfs/dbraw/zinc/69/84/90/734698490.db2.gz ZTPXNPREFNJPCA-GOEBONIOSA-N 1 1 333.432 0.180 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCO1 ZINC000971512197 734698491 /nfs/dbraw/zinc/69/84/91/734698491.db2.gz ZTPXNPREFNJPCA-GOEBONIOSA-N 1 1 333.432 0.180 20 30 ECEDMO CC(C)N(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125528080 734806540 /nfs/dbraw/zinc/80/65/40/734806540.db2.gz SIMRLFPEMMOQBJ-AWEZNQCLSA-N 1 1 330.436 0.973 20 30 ECEDMO C[NH+]=C(NCC(=O)Nc1cccnc1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261951087 734867062 /nfs/dbraw/zinc/86/70/62/734867062.db2.gz HKLOFXSURDHPSL-SWLSCSKDSA-N 1 1 330.436 0.668 20 30 ECEDMO C=CCN1CC[C@@H](N(C)[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC000971676614 734940991 /nfs/dbraw/zinc/94/09/91/734940991.db2.gz GBEYKZUTTCBUHY-JKSUJKDBSA-N 1 1 348.491 0.790 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ccnn2C)C1 ZINC000971703334 734964478 /nfs/dbraw/zinc/96/44/78/734964478.db2.gz DRWRXXIQMYAIJB-WBVHZDCISA-N 1 1 329.448 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ccnn2C)C1 ZINC000971703334 734964481 /nfs/dbraw/zinc/96/44/81/734964481.db2.gz DRWRXXIQMYAIJB-WBVHZDCISA-N 1 1 329.448 0.550 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001078191684 782467596 /nfs/dbraw/zinc/46/75/96/782467596.db2.gz ZJBXMXMYRRQEQK-CHWSQXEVSA-N 1 1 326.828 0.891 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1 ZINC001098556040 735069369 /nfs/dbraw/zinc/06/93/69/735069369.db2.gz CATJAYKEEPVYNM-UHFFFAOYSA-N 1 1 335.448 0.163 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CC)n3)[C@H]2C1 ZINC001083226044 735128028 /nfs/dbraw/zinc/12/80/28/735128028.db2.gz DFTIPOYKVRPHOU-LSDHHAIUSA-N 1 1 332.404 0.365 20 30 ECEDMO CC[NH+]=C(NC[C@H]1CCN(C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261978903 735225959 /nfs/dbraw/zinc/22/59/59/735225959.db2.gz OKBRZBZQAFGXNN-CYBMUJFWSA-N 1 1 330.498 0.413 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4ncccn4n3)[C@H]2C1 ZINC001083229582 735233978 /nfs/dbraw/zinc/23/39/78/735233978.db2.gz HSGWMWDQJLKJKQ-LSDHHAIUSA-N 1 1 327.388 0.831 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCC=C ZINC001111490267 735251401 /nfs/dbraw/zinc/25/14/01/735251401.db2.gz ZOUWXWDHRRCMLG-JJXSEGSLSA-N 1 1 335.448 0.991 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCC=C ZINC001111490267 735251406 /nfs/dbraw/zinc/25/14/06/735251406.db2.gz ZOUWXWDHRRCMLG-JJXSEGSLSA-N 1 1 335.448 0.991 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC001098562022 735549961 /nfs/dbraw/zinc/54/99/61/735549961.db2.gz RRDLYYXLRHYJGE-UHFFFAOYSA-N 1 1 343.427 0.808 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC000972047445 735562874 /nfs/dbraw/zinc/56/28/74/735562874.db2.gz BVUROAPRNHFTMS-GFCCVEGCSA-N 1 1 330.396 0.416 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)CCc2ccc(OC)nc2)[C@H](OC)C1 ZINC001213158685 735625439 /nfs/dbraw/zinc/62/54/39/735625439.db2.gz VMZYVGSAXDUHQQ-HZPDHXFCSA-N 1 1 331.416 0.862 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CCc2ccc(OC)nc2)[C@H](OC)C1 ZINC001213158685 735625442 /nfs/dbraw/zinc/62/54/42/735625442.db2.gz VMZYVGSAXDUHQQ-HZPDHXFCSA-N 1 1 331.416 0.862 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3C#N)C2)n1 ZINC000972117358 735663324 /nfs/dbraw/zinc/66/33/24/735663324.db2.gz UHGHDTGTZNVMDC-AWEZNQCLSA-N 1 1 325.376 0.428 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3C#N)C2)n1 ZINC000972117358 735663326 /nfs/dbraw/zinc/66/33/26/735663326.db2.gz UHGHDTGTZNVMDC-AWEZNQCLSA-N 1 1 325.376 0.428 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000972193761 735771332 /nfs/dbraw/zinc/77/13/32/735771332.db2.gz UWMXGXXDZONKEA-HNNXBMFYSA-N 1 1 337.383 0.988 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001058908779 751364281 /nfs/dbraw/zinc/36/42/81/751364281.db2.gz GLKZEUKJSWRLFS-GXTWGEPZSA-N 1 1 330.392 0.082 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001058908779 751364286 /nfs/dbraw/zinc/36/42/86/751364286.db2.gz GLKZEUKJSWRLFS-GXTWGEPZSA-N 1 1 330.392 0.082 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 ZINC000972247682 735837390 /nfs/dbraw/zinc/83/73/90/735837390.db2.gz GDEOJAPSVSSELU-GOSISDBHSA-N 1 1 335.448 0.878 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cccc(C(=O)NC)c2)CC1 ZINC001098566602 735848452 /nfs/dbraw/zinc/84/84/52/735848452.db2.gz DRZPSPARTPVGFA-UHFFFAOYSA-N 1 1 343.427 0.578 20 30 ECEDMO CO[C@@H](C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972350887 735988066 /nfs/dbraw/zinc/98/80/66/735988066.db2.gz AWSPRHSRQSKIPR-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972350887 735988069 /nfs/dbraw/zinc/98/80/69/735988069.db2.gz AWSPRHSRQSKIPR-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO CO[C@H](C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972350883 735988439 /nfs/dbraw/zinc/98/84/39/735988439.db2.gz AWSPRHSRQSKIPR-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO CO[C@H](C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972350883 735988441 /nfs/dbraw/zinc/98/84/41/735988441.db2.gz AWSPRHSRQSKIPR-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4n[nH]cc4C3)[C@H]2C1 ZINC001083247122 735988447 /nfs/dbraw/zinc/98/84/47/735988447.db2.gz BKJBLSDMFVPWML-RRQGHBQHSA-N 1 1 328.416 0.450 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ncccc3C#N)C2)C1 ZINC001058909188 751366123 /nfs/dbraw/zinc/36/61/23/751366123.db2.gz ZHTGFXSGQMIBMC-GJZGRUSLSA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ncccc3C#N)C2)C1 ZINC001058909188 751366132 /nfs/dbraw/zinc/36/61/32/751366132.db2.gz ZHTGFXSGQMIBMC-GJZGRUSLSA-N 1 1 329.404 0.687 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC000972384169 736052814 /nfs/dbraw/zinc/05/28/14/736052814.db2.gz FURBWUXRYJQKCF-STQMWFEESA-N 1 1 338.843 0.911 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC000972384169 736052820 /nfs/dbraw/zinc/05/28/20/736052820.db2.gz FURBWUXRYJQKCF-STQMWFEESA-N 1 1 338.843 0.911 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001078221190 782513664 /nfs/dbraw/zinc/51/36/64/782513664.db2.gz MBJFCHWWLPBLJA-BZUAXINKSA-N 1 1 337.464 0.761 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001041969051 782514542 /nfs/dbraw/zinc/51/45/42/782514542.db2.gz BAVAVJYWNPFWGY-UHFFFAOYSA-N 1 1 346.431 0.418 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972414176 736150832 /nfs/dbraw/zinc/15/08/32/736150832.db2.gz VAHRWDIJDGQAGA-QGZVFWFLSA-N 1 1 342.403 0.846 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)CNC(=O)C2CCC2)CC1 ZINC001098571245 736165143 /nfs/dbraw/zinc/16/51/43/736165143.db2.gz OVPSSQHEMBRTBZ-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000972443808 736209162 /nfs/dbraw/zinc/20/91/62/736209162.db2.gz MOLYBYCRCFGHRB-QAPCUYQASA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000972449864 736229813 /nfs/dbraw/zinc/22/98/13/736229813.db2.gz AVIURKIFDGCIQX-OAGGEKHMSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000972449864 736229816 /nfs/dbraw/zinc/22/98/16/736229816.db2.gz AVIURKIFDGCIQX-OAGGEKHMSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972456012 736245252 /nfs/dbraw/zinc/24/52/52/736245252.db2.gz PPADVRZKBXCVHA-PKOBYXMFSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972456012 736245258 /nfs/dbraw/zinc/24/52/58/736245258.db2.gz PPADVRZKBXCVHA-PKOBYXMFSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972456011 736245281 /nfs/dbraw/zinc/24/52/81/736245281.db2.gz PPADVRZKBXCVHA-MJGOQNOKSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972456011 736245286 /nfs/dbraw/zinc/24/52/86/736245286.db2.gz PPADVRZKBXCVHA-MJGOQNOKSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972456027 736245477 /nfs/dbraw/zinc/24/54/77/736245477.db2.gz PXWBCOYGAGPNKY-QAPCUYQASA-N 1 1 348.447 0.104 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972456027 736245480 /nfs/dbraw/zinc/24/54/80/736245480.db2.gz PXWBCOYGAGPNKY-QAPCUYQASA-N 1 1 348.447 0.104 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc(OC)n3)C2)C1 ZINC000972461279 736257095 /nfs/dbraw/zinc/25/70/95/736257095.db2.gz QKHZTRCWUUWDGM-QGZVFWFLSA-N 1 1 330.388 0.425 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc(OC)n3)C2)C1 ZINC000972461279 736257100 /nfs/dbraw/zinc/25/71/00/736257100.db2.gz QKHZTRCWUUWDGM-QGZVFWFLSA-N 1 1 330.388 0.425 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC000972466709 736267368 /nfs/dbraw/zinc/26/73/68/736267368.db2.gz SJFYYHONWGHPKQ-SFHVURJKSA-N 1 1 347.415 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC000972466709 736267373 /nfs/dbraw/zinc/26/73/73/736267373.db2.gz SJFYYHONWGHPKQ-SFHVURJKSA-N 1 1 347.415 0.877 20 30 ECEDMO C=CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475516 736292227 /nfs/dbraw/zinc/29/22/27/736292227.db2.gz NXHPEKRPWBGDMN-JGJLBUBWSA-N 1 1 347.459 0.339 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3ccn(CC)n3)C2)C1=O ZINC000972478371 736303473 /nfs/dbraw/zinc/30/34/73/736303473.db2.gz LMNSRMSJUHURCN-ZBFHGGJFSA-N 1 1 345.447 0.836 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3ccn(CC)n3)C2)C1=O ZINC000972478369 736303631 /nfs/dbraw/zinc/30/36/31/736303631.db2.gz LMNSRMSJUHURCN-HOCLYGCPSA-N 1 1 345.447 0.836 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 ZINC000972490058 736360899 /nfs/dbraw/zinc/36/08/99/736360899.db2.gz SONXVJSZCOZEBZ-IBGZPJMESA-N 1 1 344.459 0.906 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 ZINC000972490058 736360902 /nfs/dbraw/zinc/36/09/02/736360902.db2.gz SONXVJSZCOZEBZ-IBGZPJMESA-N 1 1 344.459 0.906 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)cn1 ZINC001022992602 736368724 /nfs/dbraw/zinc/36/87/24/736368724.db2.gz QTKMUSRPXADXNV-OKILXGFUSA-N 1 1 340.387 0.563 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C2)cc1 ZINC000972496920 736407318 /nfs/dbraw/zinc/40/73/18/736407318.db2.gz YAZQTOJLCAMMNF-ZFWWWQNUSA-N 1 1 329.400 0.719 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NCc3cc(OC)no3)C2)CC1 ZINC001023128045 736523701 /nfs/dbraw/zinc/52/37/01/736523701.db2.gz NKNZUIHDWHVUAS-GASCZTMLSA-N 1 1 346.431 0.765 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NCc3ncnn3CC)C2)CC1 ZINC001023128923 736524146 /nfs/dbraw/zinc/52/41/46/736524146.db2.gz YUYMVAIDUUBHED-IYBDPMFKSA-N 1 1 344.463 0.380 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NCc3nccn3C)C2)CC1 ZINC001023128569 736524249 /nfs/dbraw/zinc/52/42/49/736524249.db2.gz KFKBIYVNQSKQIL-IYBDPMFKSA-N 1 1 329.448 0.502 20 30 ECEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001111769197 736592182 /nfs/dbraw/zinc/59/21/82/736592182.db2.gz UKVYIOPKVLBHTF-HOCLYGCPSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001039580454 736597052 /nfs/dbraw/zinc/59/70/52/736597052.db2.gz VAKDYRVEBFPXJD-MAUKXSAKSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023449261 736847655 /nfs/dbraw/zinc/84/76/55/736847655.db2.gz LHPAEJINGDGHCO-KBPBESRZSA-N 1 1 331.420 0.398 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001023509845 736933790 /nfs/dbraw/zinc/93/37/90/736933790.db2.gz AHEJCMPZPNJFBZ-HUUCEWRRSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)OC[C@H]2CCCO2)CC1 ZINC001098577530 736946973 /nfs/dbraw/zinc/94/69/73/736946973.db2.gz LPYICFARSVFZGB-NVXWUHKLSA-N 1 1 338.448 0.489 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001023558874 737009340 /nfs/dbraw/zinc/00/93/40/737009340.db2.gz WGQDYJDQICEFTO-LSDHHAIUSA-N 1 1 329.448 0.772 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001023579239 737031868 /nfs/dbraw/zinc/03/18/68/737031868.db2.gz ZGZCMGZPVMIPJA-OWCLPIDISA-N 1 1 347.459 0.208 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001023579239 737031872 /nfs/dbraw/zinc/03/18/72/737031872.db2.gz ZGZCMGZPVMIPJA-OWCLPIDISA-N 1 1 347.459 0.208 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001023584022 737036603 /nfs/dbraw/zinc/03/66/03/737036603.db2.gz UFLYICUFSUDAHX-HNNXBMFYSA-N 1 1 340.427 0.783 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001023583978 737036700 /nfs/dbraw/zinc/03/67/00/737036700.db2.gz SICDTTGXXTXKIK-LLVKDONJSA-N 1 1 341.437 0.075 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001023596813 737054898 /nfs/dbraw/zinc/05/48/98/737054898.db2.gz ZCKLHUZHKYPFQL-AWEZNQCLSA-N 1 1 328.416 0.954 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001023607235 737070527 /nfs/dbraw/zinc/07/05/27/737070527.db2.gz HJBTVNYYGJVJPT-AWEZNQCLSA-N 1 1 330.432 0.816 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC000972617670 737106213 /nfs/dbraw/zinc/10/62/13/737106213.db2.gz RQVQYIWIMZTOJI-SFHVURJKSA-N 1 1 346.431 0.513 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC000972617670 737106216 /nfs/dbraw/zinc/10/62/16/737106216.db2.gz RQVQYIWIMZTOJI-SFHVURJKSA-N 1 1 346.431 0.513 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001023627491 737109186 /nfs/dbraw/zinc/10/91/86/737109186.db2.gz KAXSUHXTVPYLER-LSDHHAIUSA-N 1 1 326.462 0.663 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001023637817 737124461 /nfs/dbraw/zinc/12/44/61/737124461.db2.gz SQBUDTLJLLLQAI-HIFRSBDPSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001023637877 737124555 /nfs/dbraw/zinc/12/45/55/737124555.db2.gz UIPNXVYGEWNTOW-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cn(CC)nn3)C2)C1=O ZINC000972636852 737191307 /nfs/dbraw/zinc/19/13/07/737191307.db2.gz WYZFRSLPOFOVGS-HIFRSBDPSA-N 1 1 346.435 0.231 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001023709889 737228251 /nfs/dbraw/zinc/22/82/51/737228251.db2.gz DSTVOEJWOGNPDY-HNNXBMFYSA-N 1 1 340.427 0.737 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCOC)CCO3)cn1 ZINC000972644441 737233487 /nfs/dbraw/zinc/23/34/87/737233487.db2.gz XRNMNSAUKJPGFF-SFHVURJKSA-N 1 1 329.400 0.626 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCOC)CCO3)cn1 ZINC000972644441 737233489 /nfs/dbraw/zinc/23/34/89/737233489.db2.gz XRNMNSAUKJPGFF-SFHVURJKSA-N 1 1 329.400 0.626 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738829 737274683 /nfs/dbraw/zinc/27/46/83/737274683.db2.gz IPMQBMLSOBRROE-LLVKDONJSA-N 1 1 337.811 0.770 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738829 737274685 /nfs/dbraw/zinc/27/46/85/737274685.db2.gz IPMQBMLSOBRROE-LLVKDONJSA-N 1 1 337.811 0.770 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023753501 737300050 /nfs/dbraw/zinc/30/00/50/737300050.db2.gz HRQUAIQSSULWOM-ZIAGYGMSSA-N 1 1 329.466 0.473 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972688331 737382676 /nfs/dbraw/zinc/38/26/76/737382676.db2.gz NYEOHUBCARWADE-CRAIPNDOSA-N 1 1 345.447 0.720 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001023890610 737464957 /nfs/dbraw/zinc/46/49/57/737464957.db2.gz DBXHSLJTIACZSG-GJZGRUSLSA-N 1 1 345.447 0.947 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([N@H+](C)[C@H](CC)C(N)=O)C1 ZINC000972757865 737598861 /nfs/dbraw/zinc/59/88/61/737598861.db2.gz WUNNMNIQJUSPFW-DZGCQCFKSA-N 1 1 344.415 0.504 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001024018473 737623712 /nfs/dbraw/zinc/62/37/12/737623712.db2.gz OQEBXPGCFVMRJN-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)C3=COCCO3)C(C)(C)C2)C1=O ZINC000972783520 737662303 /nfs/dbraw/zinc/66/23/03/737662303.db2.gz QRHYSMCESYRQGQ-ZFWWWQNUSA-N 1 1 349.431 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)C3=COCCO3)C(C)(C)C2)C1=O ZINC000972783520 737662307 /nfs/dbraw/zinc/66/23/07/737662307.db2.gz QRHYSMCESYRQGQ-ZFWWWQNUSA-N 1 1 349.431 0.488 20 30 ECEDMO C=CCCC[N@H+](CCO)C1CCN(C(=O)CCc2cn(C)nn2)CC1 ZINC001098584429 737716596 /nfs/dbraw/zinc/71/65/96/737716596.db2.gz VSNIPYFWQXSLHL-UHFFFAOYSA-N 1 1 349.479 0.999 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnsn2)C1=O ZINC001024342620 737909610 /nfs/dbraw/zinc/90/96/10/737909610.db2.gz YOWZYPKLXRSJPO-JSGCOSHPSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnsn2)C1=O ZINC001024342620 737909615 /nfs/dbraw/zinc/90/96/15/737909615.db2.gz YOWZYPKLXRSJPO-JSGCOSHPSA-N 1 1 349.460 0.909 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CCOCC2)C1 ZINC000972884368 737926472 /nfs/dbraw/zinc/92/64/72/737926472.db2.gz NGXPQNWPEWGLPX-JYJNAYRXSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CCOCC2)C1 ZINC000972884368 737926475 /nfs/dbraw/zinc/92/64/75/737926475.db2.gz NGXPQNWPEWGLPX-JYJNAYRXSA-N 1 1 333.432 0.274 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ncc[nH]2)C1=O ZINC001024432038 737967879 /nfs/dbraw/zinc/96/78/79/737967879.db2.gz RLQJKYOXUPIGEV-ZIAGYGMSSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ncc[nH]2)C1=O ZINC001024432038 737967883 /nfs/dbraw/zinc/96/78/83/737967883.db2.gz RLQJKYOXUPIGEV-ZIAGYGMSSA-N 1 1 331.420 0.781 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cnn(C)c1 ZINC001024486701 738014074 /nfs/dbraw/zinc/01/40/74/738014074.db2.gz GHJDZSWRWNZVQV-MSOLQXFVSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnn(C)c1 ZINC001024486701 738014078 /nfs/dbraw/zinc/01/40/78/738014078.db2.gz GHJDZSWRWNZVQV-MSOLQXFVSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1nncn1C ZINC001024487409 738014907 /nfs/dbraw/zinc/01/49/07/738014907.db2.gz OKCXOOSUYPYYBL-HOTGVXAUSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1nncn1C ZINC001024487409 738014909 /nfs/dbraw/zinc/01/49/09/738014909.db2.gz OKCXOOSUYPYYBL-HOTGVXAUSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001024508079 738037643 /nfs/dbraw/zinc/03/76/43/738037643.db2.gz FMAUQAOBWWQXPD-UPJWGTAASA-N 1 1 334.338 0.937 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001024508079 738037645 /nfs/dbraw/zinc/03/76/45/738037645.db2.gz FMAUQAOBWWQXPD-UPJWGTAASA-N 1 1 334.338 0.937 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCC(N)=O ZINC001024541235 738081604 /nfs/dbraw/zinc/08/16/04/738081604.db2.gz ZNJFNDMCEZYURV-CQSZACIVSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCC(N)=O ZINC001024541235 738081608 /nfs/dbraw/zinc/08/16/08/738081608.db2.gz ZNJFNDMCEZYURV-CQSZACIVSA-N 1 1 329.400 0.768 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001024542337 738083659 /nfs/dbraw/zinc/08/36/59/738083659.db2.gz VKJWDLHVAFJHDF-OAHLLOKOSA-N 1 1 346.431 0.497 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]2CCC[N@@H+](CC(N)=O)[C@@H]21 ZINC001087282431 738099081 /nfs/dbraw/zinc/09/90/81/738099081.db2.gz YORZDPAIIYXMQP-GLQYFDAESA-N 1 1 329.404 0.590 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001024575815 738122341 /nfs/dbraw/zinc/12/23/41/738122341.db2.gz NXIHQJGULNQFCP-CQSZACIVSA-N 1 1 339.403 0.665 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)ccn2)CC1 ZINC001098588523 738124672 /nfs/dbraw/zinc/12/46/72/738124672.db2.gz MIYLQOLGAZTPHI-UHFFFAOYSA-N 1 1 332.404 0.265 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCOCC1=O ZINC001087289853 738127191 /nfs/dbraw/zinc/12/71/91/738127191.db2.gz SUKUOVNGPXXGJH-XOKHGSTOSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001024588719 738139392 /nfs/dbraw/zinc/13/93/92/738139392.db2.gz DLBAJOPPGIEZHI-KGLIPLIRSA-N 1 1 346.435 0.484 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001024588719 738139393 /nfs/dbraw/zinc/13/93/93/738139393.db2.gz DLBAJOPPGIEZHI-KGLIPLIRSA-N 1 1 346.435 0.484 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001024622347 738179466 /nfs/dbraw/zinc/17/94/66/738179466.db2.gz VLDDOJDEFICRRR-CABCVRRESA-N 1 1 329.448 0.914 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001024666581 738208202 /nfs/dbraw/zinc/20/82/02/738208202.db2.gz QRUHYSMUMFALAL-CABCVRRESA-N 1 1 330.436 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cc(F)c[nH]2)C1 ZINC001006448827 751395010 /nfs/dbraw/zinc/39/50/10/751395010.db2.gz JSFUOGHYDUGVPF-WBMJQRKESA-N 1 1 346.406 0.828 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cc(F)c[nH]2)C1 ZINC001006448827 751395014 /nfs/dbraw/zinc/39/50/14/751395014.db2.gz JSFUOGHYDUGVPF-WBMJQRKESA-N 1 1 346.406 0.828 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025258142 738943953 /nfs/dbraw/zinc/94/39/53/738943953.db2.gz JCMQBZAARCAMBY-DLBZAZTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC000973252116 738975988 /nfs/dbraw/zinc/97/59/88/738975988.db2.gz CAUNFHSWOMJDKY-DZKIICNBSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC000973252116 738975989 /nfs/dbraw/zinc/97/59/89/738975989.db2.gz CAUNFHSWOMJDKY-DZKIICNBSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001025277843 739000230 /nfs/dbraw/zinc/00/02/30/739000230.db2.gz PZLMWYDGVMEETA-HOTGVXAUSA-N 1 1 345.443 0.908 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025298284 739019522 /nfs/dbraw/zinc/01/95/22/739019522.db2.gz VXKYJOHPIQQAAK-KGLIPLIRSA-N 1 1 334.420 0.570 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104579920 739072683 /nfs/dbraw/zinc/07/26/83/739072683.db2.gz SJYNIOHASKNJEA-JSGCOSHPSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nn2)C1 ZINC001104579920 739072689 /nfs/dbraw/zinc/07/26/89/739072689.db2.gz SJYNIOHASKNJEA-JSGCOSHPSA-N 1 1 332.408 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2csnn2)C1 ZINC001006472245 751423827 /nfs/dbraw/zinc/42/38/27/751423827.db2.gz MQRUSJZROUFKLP-FZMZJTMJSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2csnn2)C1 ZINC001006472245 751423828 /nfs/dbraw/zinc/42/38/28/751423828.db2.gz MQRUSJZROUFKLP-FZMZJTMJSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c(C)cnn2C)C1 ZINC000973410385 739223719 /nfs/dbraw/zinc/22/37/19/739223719.db2.gz JNBVBKQPALESMU-KKUMJFAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c(C)cnn2C)C1 ZINC000973410385 739223723 /nfs/dbraw/zinc/22/37/23/739223723.db2.gz JNBVBKQPALESMU-KKUMJFAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC000973410805 739224133 /nfs/dbraw/zinc/22/41/33/739224133.db2.gz QOXCGCMELAFOJM-YDHLFZDLSA-N 1 1 343.431 0.447 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC000973410805 739224138 /nfs/dbraw/zinc/22/41/38/739224138.db2.gz QOXCGCMELAFOJM-YDHLFZDLSA-N 1 1 343.431 0.447 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)N(C)C)nn1 ZINC001028192152 751431557 /nfs/dbraw/zinc/43/15/57/751431557.db2.gz HLLCTPGGYHCSTM-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C)nn1 ZINC001028192152 751431563 /nfs/dbraw/zinc/43/15/63/751431563.db2.gz HLLCTPGGYHCSTM-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCC2)nn1 ZINC001028192592 751432607 /nfs/dbraw/zinc/43/26/07/751432607.db2.gz OFBJXUXWMRLEEH-CQSZACIVSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCC2)nn1 ZINC001028192592 751432613 /nfs/dbraw/zinc/43/26/13/751432613.db2.gz OFBJXUXWMRLEEH-CQSZACIVSA-N 1 1 346.435 0.281 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC000973545385 739496284 /nfs/dbraw/zinc/49/62/84/739496284.db2.gz YFLVYWWRTNXQFL-KBRIMQKVSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000973545364 739496341 /nfs/dbraw/zinc/49/63/41/739496341.db2.gz QPHHEPAPNWAUSI-BASLNEPJSA-N 1 1 340.427 0.638 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C)Cc2cnn(C)c2)CC1 ZINC001098515725 751460018 /nfs/dbraw/zinc/46/00/18/751460018.db2.gz ILBZYCMPBWPFQJ-MRXNPFEDSA-N 1 1 346.475 0.907 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000988015637 751457357 /nfs/dbraw/zinc/45/73/57/751457357.db2.gz RHXJVGHAAVTLKU-UONOGXRCSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282513 739649421 /nfs/dbraw/zinc/64/94/21/739649421.db2.gz HIEGVEQMTYFVDT-HRCADAONSA-N 1 1 345.447 0.637 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2O)C1 ZINC001025545676 739706375 /nfs/dbraw/zinc/70/63/75/739706375.db2.gz KMINCSDDYGYNJX-ZIAGYGMSSA-N 1 1 332.404 0.236 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC(=O)NC)C2)nn1 ZINC001025556433 739715645 /nfs/dbraw/zinc/71/56/45/739715645.db2.gz URXMFZGMQGESEQ-STQMWFEESA-N 1 1 334.424 0.040 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC(N)=O)C2)nn1 ZINC001025559798 739721095 /nfs/dbraw/zinc/72/10/95/739721095.db2.gz XAMVWEHIVVZGHI-STQMWFEESA-N 1 1 334.424 0.170 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025596445 739760624 /nfs/dbraw/zinc/76/06/24/739760624.db2.gz CLZLKIVIPHHPQO-ZIAGYGMSSA-N 1 1 344.415 0.409 20 30 ECEDMO C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025797761 739966078 /nfs/dbraw/zinc/96/60/78/739966078.db2.gz LJBDOBWXUZVLFX-MRLBHPIUSA-N 1 1 325.840 0.649 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC000982029250 751497488 /nfs/dbraw/zinc/49/74/88/751497488.db2.gz UYFSMBUWZMJZFK-OAHLLOKOSA-N 1 1 342.447 0.573 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001114945130 740019334 /nfs/dbraw/zinc/01/93/34/740019334.db2.gz LMZXOYROMCOBTM-UOIKSKOESA-N 1 1 344.390 0.722 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001114945130 740019339 /nfs/dbraw/zinc/01/93/39/740019339.db2.gz LMZXOYROMCOBTM-UOIKSKOESA-N 1 1 344.390 0.722 20 30 ECEDMO C=CCOc1ccc(CC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)cc1 ZINC001083286656 740162142 /nfs/dbraw/zinc/16/21/42/740162142.db2.gz WDNUMYLNMJAZKA-ZWKOTPCHSA-N 1 1 346.427 0.698 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCOCC(C)C)C1 ZINC001149273396 740342813 /nfs/dbraw/zinc/34/28/13/740342813.db2.gz WELVHKUYYYLLEC-KRWDZBQOSA-N 1 1 340.464 0.906 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)CCOCC(C)C)C1 ZINC001149273396 740342818 /nfs/dbraw/zinc/34/28/18/740342818.db2.gz WELVHKUYYYLLEC-KRWDZBQOSA-N 1 1 340.464 0.906 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001026056777 740344071 /nfs/dbraw/zinc/34/40/71/740344071.db2.gz BYDBQJGFJKCZHJ-ALOQXXIVSA-N 1 1 343.431 0.403 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc(C)cn2)C1 ZINC000973822238 740408604 /nfs/dbraw/zinc/40/86/04/740408604.db2.gz ISHUGDAZHZEXKP-LZWOXQAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc(C)cn2)C1 ZINC000973822238 740408608 /nfs/dbraw/zinc/40/86/08/740408608.db2.gz ISHUGDAZHZEXKP-LZWOXQAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2O)C1 ZINC000973897737 740556163 /nfs/dbraw/zinc/55/61/63/740556163.db2.gz UFZSUEXAHQPQBC-LZWOXQAQSA-N 1 1 341.411 0.867 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2O)C1 ZINC000973897737 740556168 /nfs/dbraw/zinc/55/61/68/740556168.db2.gz UFZSUEXAHQPQBC-LZWOXQAQSA-N 1 1 341.411 0.867 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001020412806 751561107 /nfs/dbraw/zinc/56/11/07/751561107.db2.gz XPQRFJSRLGHLGG-GUTXKFCHSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)c4nc[nH]n4)C3)C2)C1=O ZINC000982075328 751567661 /nfs/dbraw/zinc/56/76/61/751567661.db2.gz DCDHIPYUZAOAFH-ZDUSSCGKSA-N 1 1 344.419 0.130 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncoc2CC)C1 ZINC000973972331 740702704 /nfs/dbraw/zinc/70/27/04/740702704.db2.gz XOOKEKLKRNSGGN-MJBXVCDLSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncoc2CC)C1 ZINC000973972331 740702708 /nfs/dbraw/zinc/70/27/08/740702708.db2.gz XOOKEKLKRNSGGN-MJBXVCDLSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cc(C)nc(CO)n1 ZINC001104861989 740748442 /nfs/dbraw/zinc/74/84/42/740748442.db2.gz ZNSUPMUOZGGYSE-CABCVRRESA-N 1 1 345.447 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1cc(C)nc(CO)n1 ZINC001104861989 740748444 /nfs/dbraw/zinc/74/84/44/740748444.db2.gz ZNSUPMUOZGGYSE-CABCVRRESA-N 1 1 345.447 0.634 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccncc1C#N ZINC001104862940 740754113 /nfs/dbraw/zinc/75/41/13/740754113.db2.gz TYNMCKHAKTUJOB-YOEHRIQHSA-N 1 1 325.416 0.732 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccncc1C#N ZINC001104862940 740754116 /nfs/dbraw/zinc/75/41/16/740754116.db2.gz TYNMCKHAKTUJOB-YOEHRIQHSA-N 1 1 325.416 0.732 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001078234217 782535073 /nfs/dbraw/zinc/53/50/73/782535073.db2.gz OPQWFARUIUPRPC-UKRRQHHQSA-N 1 1 330.388 0.630 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974042121 740831798 /nfs/dbraw/zinc/83/17/98/740831798.db2.gz YREISBZGISUXMM-DEQVHRJGSA-N 1 1 329.404 0.461 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000988114398 751581924 /nfs/dbraw/zinc/58/19/24/751581924.db2.gz SLPWEEGQPDAFTO-ABAIWWIYSA-N 1 1 340.387 0.811 20 30 ECEDMO CC(C)C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104926563 740949484 /nfs/dbraw/zinc/94/94/84/740949484.db2.gz VXZYUFNCXKOLSP-HUUCEWRRSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104926563 740949485 /nfs/dbraw/zinc/94/94/85/740949485.db2.gz VXZYUFNCXKOLSP-HUUCEWRRSA-N 1 1 346.435 0.622 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H](CNc1ccnc(C#N)n1)CC(C)C ZINC001104950249 741008549 /nfs/dbraw/zinc/00/85/49/741008549.db2.gz OGZMKBYCNCXRCW-CQSZACIVSA-N 1 1 341.419 0.918 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(N)=O)ccn3)[C@H]2C1 ZINC001083294538 741009706 /nfs/dbraw/zinc/00/97/06/741009706.db2.gz GULGPPRDKYUBBV-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C)nc1 ZINC001020440378 751611974 /nfs/dbraw/zinc/61/19/74/751611974.db2.gz VALOFRXNMQSCJG-IMJJTQAJSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C)cn1 ZINC001020441051 751613001 /nfs/dbraw/zinc/61/30/01/751613001.db2.gz FLMLWOOOYYFAHD-LXZKKBNFSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@H](C)C(=O)NC)C3)cn1 ZINC000982122293 751615766 /nfs/dbraw/zinc/61/57/66/751615766.db2.gz BVYFYYHZMJLMDE-CQSZACIVSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NC)C3)cn1 ZINC000982122589 751616864 /nfs/dbraw/zinc/61/68/64/751616864.db2.gz HZDGMZDYEHKIFZ-UHFFFAOYSA-N 1 1 326.400 0.347 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NC)C3)cn1 ZINC000982122589 751616866 /nfs/dbraw/zinc/61/68/66/751616866.db2.gz HZDGMZDYEHKIFZ-UHFFFAOYSA-N 1 1 326.400 0.347 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@H](CC)C(N)=O)C3)cn1 ZINC000982123722 751618570 /nfs/dbraw/zinc/61/85/70/751618570.db2.gz MJDWPGZFLUOGBC-MRXNPFEDSA-N 1 1 340.427 0.865 20 30 ECEDMO C=CCCC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccn[nH]3)C2)nn1 ZINC001105200067 741463050 /nfs/dbraw/zinc/46/30/50/741463050.db2.gz WOEDAMARRIMROA-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC000982143779 751640980 /nfs/dbraw/zinc/64/09/80/751640980.db2.gz FOANZJQVXZDWBG-UHFFFAOYSA-N 1 1 327.388 0.137 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OC)C3CC3)C2)nn1 ZINC001105224130 741502590 /nfs/dbraw/zinc/50/25/90/741502590.db2.gz YOYRQDZQMCITSI-INIZCTEOSA-N 1 1 349.435 0.379 20 30 ECEDMO C#CCCCC(=O)N1CC(n2cc(C[NH2+]CCOCC3CC3)nn2)C1 ZINC001105224785 741505393 /nfs/dbraw/zinc/50/53/93/741505393.db2.gz CAFDZSVNNOFGEV-UHFFFAOYSA-N 1 1 345.447 0.981 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3c[nH]cn3)C2)nn1 ZINC001105253783 741566971 /nfs/dbraw/zinc/56/69/71/741566971.db2.gz DOSLIOWNQSVMOD-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CCn1cc(C(=O)NC2CCC([NH2+]Cc3nnc(C)o3)CC2)nn1 ZINC001026573845 741569936 /nfs/dbraw/zinc/56/99/36/741569936.db2.gz XUCLYSLIUAUARJ-UHFFFAOYSA-N 1 1 345.407 0.986 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC000982135998 751649350 /nfs/dbraw/zinc/64/93/50/751649350.db2.gz XKCZBWUNUJBAHV-MRXNPFEDSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C3CC(OC)C3)C2)nn1 ZINC001105265990 741602709 /nfs/dbraw/zinc/60/27/09/741602709.db2.gz LIUBXICAYAVFLV-UHFFFAOYSA-N 1 1 349.435 0.379 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)nn1 ZINC001105270702 741615273 /nfs/dbraw/zinc/61/52/73/741615273.db2.gz ITSVCHROHZBNKK-CYBMUJFWSA-N 1 1 346.435 0.196 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3cncnc3)C2)nn1 ZINC001105281130 741637868 /nfs/dbraw/zinc/63/78/68/741637868.db2.gz WGFGLPSYGAFBSN-UHFFFAOYSA-N 1 1 341.419 0.750 20 30 ECEDMO C=C1CCC(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001058726699 741660707 /nfs/dbraw/zinc/66/07/07/741660707.db2.gz IPJVENDYJXUYDJ-INIZCTEOSA-N 1 1 337.464 0.622 20 30 ECEDMO C#CCCCCC(=O)NCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001125939158 741686271 /nfs/dbraw/zinc/68/62/71/741686271.db2.gz VRXITMVJANYUIJ-HNNXBMFYSA-N 1 1 333.436 0.714 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974473178 741778588 /nfs/dbraw/zinc/77/85/88/741778588.db2.gz RRQBBWWKJBWUGB-FZMZJTMJSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974473178 741778589 /nfs/dbraw/zinc/77/85/89/741778589.db2.gz RRQBBWWKJBWUGB-FZMZJTMJSA-N 1 1 331.420 0.803 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cncnc3)C(C)(C)C2)C1=O ZINC000974493248 741806208 /nfs/dbraw/zinc/80/62/08/741806208.db2.gz TXHZOJGLNGUWHE-HUUCEWRRSA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cncnc3)C(C)(C)C2)C1=O ZINC000974493248 741806212 /nfs/dbraw/zinc/80/62/12/741806212.db2.gz TXHZOJGLNGUWHE-HUUCEWRRSA-N 1 1 343.431 0.704 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974768306 742159524 /nfs/dbraw/zinc/15/95/24/742159524.db2.gz UBLNGRZLFUNLGE-LBPRGKRZSA-N 1 1 341.433 0.943 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](C[NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001026991783 742255946 /nfs/dbraw/zinc/25/59/46/742255946.db2.gz AHLBXRNTCQNYNX-GFCCVEGCSA-N 1 1 349.435 0.508 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3[nH]nnc3C)C(C)(C)C2)C1=O ZINC000974894085 742301696 /nfs/dbraw/zinc/30/16/96/742301696.db2.gz AWGSGUDRLJTKRJ-STQMWFEESA-N 1 1 346.435 0.340 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3[nH]nnc3C)C(C)(C)C2)C1=O ZINC000974894085 742301700 /nfs/dbraw/zinc/30/17/00/742301700.db2.gz AWGSGUDRLJTKRJ-STQMWFEESA-N 1 1 346.435 0.340 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C(C)(C)C1 ZINC000975071157 742472261 /nfs/dbraw/zinc/47/22/61/742472261.db2.gz KDPIOBHCTVTBEX-AWEZNQCLSA-N 1 1 330.432 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC000975135145 742531006 /nfs/dbraw/zinc/53/10/06/742531006.db2.gz STOJJDKRHQTRJJ-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC000975135145 742531011 /nfs/dbraw/zinc/53/10/11/742531011.db2.gz STOJJDKRHQTRJJ-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000975226637 742621274 /nfs/dbraw/zinc/62/12/74/742621274.db2.gz XFSUOUWAGAISDF-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000975365075 742756386 /nfs/dbraw/zinc/75/63/86/742756386.db2.gz IWLNBHZCYLCLKG-OLZOCXBDSA-N 1 1 347.419 0.864 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1 ZINC000982250069 751762361 /nfs/dbraw/zinc/76/23/61/751762361.db2.gz IRLWQXCGQYJOAJ-CALCHBBNSA-N 1 1 329.404 0.416 20 30 ECEDMO N#Cc1cccnc1N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001058926948 751767185 /nfs/dbraw/zinc/76/71/85/751767185.db2.gz UHXFLWLJQLFCQR-HNNXBMFYSA-N 1 1 329.404 0.688 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001028936013 742918071 /nfs/dbraw/zinc/91/80/71/742918071.db2.gz AMVCFMHJWIIFLS-KGLIPLIRSA-N 1 1 344.415 0.280 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001028994071 743119015 /nfs/dbraw/zinc/11/90/15/743119015.db2.gz MIEOKLRVVRDTFI-KBPBESRZSA-N 1 1 329.828 0.424 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001028994071 743119017 /nfs/dbraw/zinc/11/90/17/743119017.db2.gz MIEOKLRVVRDTFI-KBPBESRZSA-N 1 1 329.828 0.424 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC(=O)NCC)C2)nn1 ZINC001098641497 751798727 /nfs/dbraw/zinc/79/87/27/751798727.db2.gz USOFRYGXGXDWBE-CQSZACIVSA-N 1 1 334.424 0.243 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997063097 743187495 /nfs/dbraw/zinc/18/74/95/743187495.db2.gz HDPBSWZLHDKHJE-ATWORBOESA-N 1 1 347.459 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nc1 ZINC000997094182 743227655 /nfs/dbraw/zinc/22/76/55/743227655.db2.gz VXZZVORMLVTDNQ-DOTOQJQBSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]cc3C)[C@H]2C)C1=O ZINC001088559361 751825752 /nfs/dbraw/zinc/82/57/52/751825752.db2.gz KGGIIEVXKCBRIJ-HZSPNIEDSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3n[nH]cc3C)[C@H]2C)C1=O ZINC001088559361 751825760 /nfs/dbraw/zinc/82/57/60/751825760.db2.gz KGGIIEVXKCBRIJ-HZSPNIEDSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnco3)C2)nn1 ZINC001098694714 743469605 /nfs/dbraw/zinc/46/96/05/743469605.db2.gz HMANJGTVQDMUQH-CQSZACIVSA-N 1 1 346.391 0.646 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccn1 ZINC000976062783 743510600 /nfs/dbraw/zinc/51/06/00/743510600.db2.gz HSNUWANTWAAUML-HDEZJCGLSA-N 1 1 338.411 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccn1 ZINC000976062783 743510606 /nfs/dbraw/zinc/51/06/06/743510606.db2.gz HSNUWANTWAAUML-HDEZJCGLSA-N 1 1 338.411 0.366 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNc1cnc(C#N)cn1 ZINC001111494662 743545022 /nfs/dbraw/zinc/54/50/22/743545022.db2.gz BCCWHBSKSMIIAF-UHFFFAOYSA-N 1 1 334.424 0.313 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2oncc2C)C1 ZINC001006794837 751840586 /nfs/dbraw/zinc/84/05/86/751840586.db2.gz ZIXWQNKKVNNNST-ZFWWWQNUSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2oncc2C)C1 ZINC001006794837 751840593 /nfs/dbraw/zinc/84/05/93/751840593.db2.gz ZIXWQNKKVNNNST-ZFWWWQNUSA-N 1 1 344.415 0.657 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnns3)C2)C1=O ZINC001027316409 743657703 /nfs/dbraw/zinc/65/77/03/743657703.db2.gz XEFPSJFPBOSEII-OLZOCXBDSA-N 1 1 349.460 0.861 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000997564737 743679809 /nfs/dbraw/zinc/67/98/09/743679809.db2.gz FDLLUNOFOZSXLM-IKGGRYGDSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000997564737 743679810 /nfs/dbraw/zinc/67/98/10/743679810.db2.gz FDLLUNOFOZSXLM-IKGGRYGDSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(C)nc(OC)n2)C1 ZINC001059870992 751849178 /nfs/dbraw/zinc/84/91/78/751849178.db2.gz NGSZBIOEJGKMSK-ZNMIVQPWSA-N 1 1 343.431 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(C)nc(OC)n2)C1 ZINC001059870992 751849185 /nfs/dbraw/zinc/84/91/85/751849185.db2.gz NGSZBIOEJGKMSK-ZNMIVQPWSA-N 1 1 343.431 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc[nH]1 ZINC000997768994 743799932 /nfs/dbraw/zinc/79/99/32/743799932.db2.gz GAOLPNYMZZBBBN-IWCQGFGOSA-N 1 1 340.427 0.974 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc[nH]1 ZINC000997768994 743799933 /nfs/dbraw/zinc/79/99/33/743799933.db2.gz GAOLPNYMZZBBBN-IWCQGFGOSA-N 1 1 340.427 0.974 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000976322137 743813824 /nfs/dbraw/zinc/81/38/24/743813824.db2.gz HNKASJKRIGDDDW-HVOFVXBASA-N 1 1 341.415 0.415 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000976366505 743861806 /nfs/dbraw/zinc/86/18/06/743861806.db2.gz ISKOYOJRGRKHLE-UYLCMAPUSA-N 1 1 341.415 0.413 20 30 ECEDMO C[N@@H+]([C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1CCC(=O)NC1=O ZINC001027355392 743921825 /nfs/dbraw/zinc/92/18/25/743921825.db2.gz VGGWVHYIDQUFOL-TZMCWYRMSA-N 1 1 343.387 0.228 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000998051348 743948509 /nfs/dbraw/zinc/94/85/09/743948509.db2.gz ISQZCSPRFGFHSL-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000998154612 744011465 /nfs/dbraw/zinc/01/14/65/744011465.db2.gz KFANGZZZMAFYIJ-OAHLLOKOSA-N 1 1 333.432 0.766 20 30 ECEDMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027374617 744029889 /nfs/dbraw/zinc/02/98/89/744029889.db2.gz GLSPQDXGGRKTGY-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027374617 744029894 /nfs/dbraw/zinc/02/98/94/744029894.db2.gz GLSPQDXGGRKTGY-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](CCn1cncn1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027373862 744040509 /nfs/dbraw/zinc/04/05/09/744040509.db2.gz VFUSMUZOSKLFTE-OAHLLOKOSA-N 1 1 327.392 0.714 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000998196578 744044134 /nfs/dbraw/zinc/04/41/34/744044134.db2.gz JLWPKAXCPLGDAO-HUUCEWRRSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]cc1C ZINC000976538630 744044710 /nfs/dbraw/zinc/04/47/10/744044710.db2.gz YQLSESWMAWROJR-VVLHAWIVSA-N 1 1 340.427 0.607 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]cc1C ZINC000976538630 744044714 /nfs/dbraw/zinc/04/47/14/744044714.db2.gz YQLSESWMAWROJR-VVLHAWIVSA-N 1 1 340.427 0.607 20 30 ECEDMO C#CCCCC(=O)NCC[NH2+]Cc1coc(S(=O)(=O)N(C)C)c1 ZINC001126339419 751884758 /nfs/dbraw/zinc/88/47/58/751884758.db2.gz XXFJZWMIVIGNAD-UHFFFAOYSA-N 1 1 341.433 0.539 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001058771242 744069036 /nfs/dbraw/zinc/06/90/36/744069036.db2.gz XEUWGHYRZRXVRP-AWEZNQCLSA-N 1 1 337.464 0.622 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001058771034 744084348 /nfs/dbraw/zinc/08/43/48/744084348.db2.gz ONNIRASPVNTJQG-LSDHHAIUSA-N 1 1 337.464 0.478 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C)c[nH]1 ZINC000976581018 744106540 /nfs/dbraw/zinc/10/65/40/744106540.db2.gz LFFHQPCWPGBQEW-LJISPDSOSA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C)c[nH]1 ZINC000976581018 744106541 /nfs/dbraw/zinc/10/65/41/744106541.db2.gz LFFHQPCWPGBQEW-LJISPDSOSA-N 1 1 341.415 0.002 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnnn3C)C2)C1=O ZINC001027392483 744137667 /nfs/dbraw/zinc/13/76/67/744137667.db2.gz RNWFGIKXSFDCNY-KGLIPLIRSA-N 1 1 346.435 0.138 20 30 ECEDMO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027406433 744187545 /nfs/dbraw/zinc/18/75/45/744187545.db2.gz RLLZPHXTUXNWQF-HOTGVXAUSA-N 1 1 338.473 0.757 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(COC)on3)C2)nn1 ZINC001105338997 744226451 /nfs/dbraw/zinc/22/64/51/744226451.db2.gz HOZOFGOPFRBEQK-UHFFFAOYSA-N 1 1 346.391 0.775 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC000998757738 744317525 /nfs/dbraw/zinc/31/75/25/744317525.db2.gz YYTKJKNATAGWTG-UONOGXRCSA-N 1 1 339.403 0.903 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000998954850 744426434 /nfs/dbraw/zinc/42/64/34/744426434.db2.gz GDQYGURVFXHAHQ-ZDUSSCGKSA-N 1 1 342.407 0.848 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3nc4ncc(C)cn4n3)C[C@@]2(C)C1 ZINC000982303740 751920103 /nfs/dbraw/zinc/92/01/03/751920103.db2.gz NTLGNTOIAJKORE-HDICACEKSA-N 1 1 338.415 0.850 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001028250536 751923952 /nfs/dbraw/zinc/92/39/52/751923952.db2.gz GRENNRBAAIUEDG-OLZOCXBDSA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001028250536 751923955 /nfs/dbraw/zinc/92/39/55/751923955.db2.gz GRENNRBAAIUEDG-OLZOCXBDSA-N 1 1 332.404 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nccc(C)n2)C1 ZINC000999390835 744671427 /nfs/dbraw/zinc/67/14/27/744671427.db2.gz ILIMWIPCMDSCIV-SJORKVTESA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nccc(C)n2)C1 ZINC000999390835 744671431 /nfs/dbraw/zinc/67/14/31/744671431.db2.gz ILIMWIPCMDSCIV-SJORKVTESA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccccc2F)C1 ZINC000999535690 744745411 /nfs/dbraw/zinc/74/54/11/744745411.db2.gz DPMCDYXFXYURBG-KRWDZBQOSA-N 1 1 343.402 0.793 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccccc2F)C1 ZINC000999535690 744745415 /nfs/dbraw/zinc/74/54/15/744745415.db2.gz DPMCDYXFXYURBG-KRWDZBQOSA-N 1 1 343.402 0.793 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999539800 744748196 /nfs/dbraw/zinc/74/81/96/744748196.db2.gz PHMDQRYHHPSLGA-DVTFPSANSA-N 1 1 334.424 0.270 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CC([NH2+]Cc3nnc(C)o3)C2)nn1 ZINC000999541239 744748625 /nfs/dbraw/zinc/74/86/25/744748625.db2.gz NGKJUACCARVXIC-UHFFFAOYSA-N 1 1 345.407 0.938 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001027502084 744836477 /nfs/dbraw/zinc/83/64/77/744836477.db2.gz NTBKAXJLCCVTLB-KSZLIROESA-N 1 1 349.475 0.422 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC001027514573 744916533 /nfs/dbraw/zinc/91/65/33/744916533.db2.gz NHWVRWLBNNRBNN-OAHLLOKOSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccn[nH]2)CC1 ZINC000977401122 744925981 /nfs/dbraw/zinc/92/59/81/744925981.db2.gz KDKDEIMIUIKVAG-HNNXBMFYSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccn(C)c2CC)C1 ZINC000999867486 744965990 /nfs/dbraw/zinc/96/59/90/744965990.db2.gz OIFOFZBYEMVMEU-KRWDZBQOSA-N 1 1 342.443 0.626 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccn(C)c2CC)C1 ZINC000999867486 744965994 /nfs/dbraw/zinc/96/59/94/744965994.db2.gz OIFOFZBYEMVMEU-KRWDZBQOSA-N 1 1 342.443 0.626 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000999890387 745015353 /nfs/dbraw/zinc/01/53/53/745015353.db2.gz ZGRALIKZPROTGV-LRDDRELGSA-N 1 1 326.400 0.201 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC000983697237 745076487 /nfs/dbraw/zinc/07/64/87/745076487.db2.gz CEFMGAPGPDCLBQ-SYQHCUMBSA-N 1 1 334.424 0.176 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccccc3O)nn2)C1 ZINC000999959070 745099927 /nfs/dbraw/zinc/09/99/27/745099927.db2.gz DFVBOELNUUIPPG-CQSZACIVSA-N 1 1 325.372 0.794 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999960092 745101235 /nfs/dbraw/zinc/10/12/35/745101235.db2.gz BMQZNIDWYWLSEC-HOTGVXAUSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999960092 745101239 /nfs/dbraw/zinc/10/12/39/745101239.db2.gz BMQZNIDWYWLSEC-HOTGVXAUSA-N 1 1 332.452 0.811 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(CC)c3)nn2)C1 ZINC000999963917 745107966 /nfs/dbraw/zinc/10/79/66/745107966.db2.gz VWAIUMKKVAPYSQ-MRXNPFEDSA-N 1 1 341.419 0.695 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(CC)n[nH]3)nn2)C1 ZINC000999964792 745109442 /nfs/dbraw/zinc/10/94/42/745109442.db2.gz FVVJWMSMWBIKOC-OAHLLOKOSA-N 1 1 341.419 0.764 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3C)nn2)C1 ZINC000999964602 745109608 /nfs/dbraw/zinc/10/96/08/745109608.db2.gz CMBDLWIQMBVPGI-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccncc3F)nn2)C1 ZINC000999970747 745118248 /nfs/dbraw/zinc/11/82/48/745118248.db2.gz IZVVPYWXLNYNAA-CYBMUJFWSA-N 1 1 328.351 0.622 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC000999972180 745120439 /nfs/dbraw/zinc/12/04/39/745120439.db2.gz UDVLEXGGEDNHIL-AWEZNQCLSA-N 1 1 327.392 0.212 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccc(=O)[nH]3)nn2)C1 ZINC000999973333 745121878 /nfs/dbraw/zinc/12/18/78/745121878.db2.gz ZXNHLHGUUSQKSR-AWEZNQCLSA-N 1 1 340.387 0.579 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3COCCN3C)nn2)C1 ZINC000999973574 745122210 /nfs/dbraw/zinc/12/22/10/745122210.db2.gz GMGUIXSVELCOSE-CVEARBPZSA-N 1 1 348.451 0.048 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 ZINC000999975213 745124552 /nfs/dbraw/zinc/12/45/52/745124552.db2.gz QDTSBIHSAWGLGX-CQSZACIVSA-N 1 1 327.392 0.212 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 ZINC000999992043 745149233 /nfs/dbraw/zinc/14/92/33/745149233.db2.gz OFFTYKNQWWYTEM-CVEARBPZSA-N 1 1 345.451 0.537 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)ncn3C)nn2)C1 ZINC000999993233 745151472 /nfs/dbraw/zinc/15/14/72/745151472.db2.gz RMYXXMLZDTWUSY-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]c(=O)[nH]c3C)nn2)C1 ZINC000999993863 745152177 /nfs/dbraw/zinc/15/21/77/745152177.db2.gz WKJOMKYHJDGRSE-ZDUSSCGKSA-N 1 1 343.391 0.215 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnc[nH]c3=O)nn2)C1 ZINC000999997033 745157008 /nfs/dbraw/zinc/15/70/08/745157008.db2.gz LGLMVPYDGQOPNI-ZDUSSCGKSA-N 1 1 343.391 0.527 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3coc(OC)n3)nn2)C1 ZINC001000001433 745164428 /nfs/dbraw/zinc/16/44/28/745164428.db2.gz MPEIWSACPMCRMS-ZDUSSCGKSA-N 1 1 344.375 0.475 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3COCCN3CC)nn2)C1 ZINC001000002061 745165083 /nfs/dbraw/zinc/16/50/83/745165083.db2.gz GSIRMBXZSZROEU-HOTGVXAUSA-N 1 1 348.451 0.048 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001000002020 745165246 /nfs/dbraw/zinc/16/52/46/745165246.db2.gz GMTIMVKJQHUXDH-CQSZACIVSA-N 1 1 327.392 0.212 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]nc3CC)nn2)C1 ZINC001000002136 745166056 /nfs/dbraw/zinc/16/60/56/745166056.db2.gz HBHZZAOWGFJUPC-CQSZACIVSA-N 1 1 341.419 0.764 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001027536467 745172418 /nfs/dbraw/zinc/17/24/18/745172418.db2.gz RLIOWDZPDZEPBP-UUAJXVIYSA-N 1 1 347.459 0.589 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCc2cn([C@H]3CCN(CC#N)C3)nn2)CC[N@H+]1C ZINC001000007533 745175260 /nfs/dbraw/zinc/17/52/60/745175260.db2.gz FQOSSDSSSZNXEI-DZKIICNBSA-N 1 1 345.451 0.395 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)nn2)C1 ZINC001000008123 745176042 /nfs/dbraw/zinc/17/60/42/745176042.db2.gz IPOGXZWCCBOADA-NCOADZHNSA-N 1 1 345.447 1.000 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001000009146 745176659 /nfs/dbraw/zinc/17/66/59/745176659.db2.gz NLBDPDDKNCGBBU-VKJFTORMSA-N 1 1 333.432 0.390 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001000013617 745183058 /nfs/dbraw/zinc/18/30/58/745183058.db2.gz KYBBVCFSPSBHME-JJXSEGSLSA-N 1 1 335.448 0.635 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]nc3C)nn2)C1 ZINC001000018993 745188651 /nfs/dbraw/zinc/18/86/51/745188651.db2.gz RLOIFZJFKDGRGR-CQSZACIVSA-N 1 1 327.392 0.510 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3conc3C)nn2)C1 ZINC001000018701 745188824 /nfs/dbraw/zinc/18/88/24/745188824.db2.gz ZJGIJBMCPWNIMZ-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3C3CC3)nn2)C1 ZINC001000019766 745190179 /nfs/dbraw/zinc/19/01/79/745190179.db2.gz WZUODBCNLORONY-ZACQAIPSSA-N 1 1 343.431 0.589 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3C3CC3)nn2)C1 ZINC001000019765 745190747 /nfs/dbraw/zinc/19/07/47/745190747.db2.gz WZUODBCNLORONY-BBWFWOEESA-N 1 1 343.431 0.589 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 ZINC001000028781 745202311 /nfs/dbraw/zinc/20/23/11/745202311.db2.gz LGRYZYJCOGCERL-AWEZNQCLSA-N 1 1 344.423 0.550 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3oncc3C)nn2)C1 ZINC001000034189 745208405 /nfs/dbraw/zinc/20/84/05/745208405.db2.gz ITJTYRVITMPBMW-CQSZACIVSA-N 1 1 328.376 0.775 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)C1 ZINC001000034561 745210422 /nfs/dbraw/zinc/21/04/22/745210422.db2.gz WTXBPOPAGWFUGG-HZMVEIRTSA-N 1 1 343.431 0.732 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(=O)[nH]c3)nn2)C1 ZINC001000035455 745211366 /nfs/dbraw/zinc/21/13/66/745211366.db2.gz NKOANSHEESOHAM-OAHLLOKOSA-N 1 1 340.387 0.579 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nccs3)nn2)C1 ZINC001000037379 745215384 /nfs/dbraw/zinc/21/53/84/745215384.db2.gz RBOSWMPDOFSEBX-CYBMUJFWSA-N 1 1 330.417 0.935 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCCNC3=O)C[C@@]2(C)C1 ZINC000982333549 751981926 /nfs/dbraw/zinc/98/19/26/751981926.db2.gz MFIWAKBEXGHCGK-HDICACEKSA-N 1 1 332.448 0.595 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn4cc[nH]c34)nn2)C1 ZINC001000045858 745226161 /nfs/dbraw/zinc/22/61/61/745226161.db2.gz RGNKLAOJCPREDC-CYBMUJFWSA-N 1 1 340.391 0.617 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000977584718 745243765 /nfs/dbraw/zinc/24/37/65/745243765.db2.gz MQMDDHHZCCLODN-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nccc(C)n3)C2)nn1 ZINC001020700539 751990628 /nfs/dbraw/zinc/99/06/28/751990628.db2.gz STQGLZXMIGOSMB-JOCQHMNTSA-N 1 1 327.392 0.613 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC34CCOCC4)C2)nn1 ZINC001105385107 745261961 /nfs/dbraw/zinc/26/19/61/745261961.db2.gz VDXQODWZLOUDLQ-HNNXBMFYSA-N 1 1 331.420 0.754 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3cnccn3)CC2)C1=O ZINC001000392388 745471698 /nfs/dbraw/zinc/47/16/98/745471698.db2.gz QMCLKJIELNYAPY-INIZCTEOSA-N 1 1 341.415 0.625 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C)on4)[C@@H]3C2)C1=O ZINC000977758319 745482718 /nfs/dbraw/zinc/48/27/18/745482718.db2.gz AXEMBVSRTHZGHZ-AYDFFVQHSA-N 1 1 344.415 0.678 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001000427340 745491768 /nfs/dbraw/zinc/49/17/68/745491768.db2.gz KTWXVQTXKOWVHM-INIZCTEOSA-N 1 1 341.415 0.325 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001000427340 745491771 /nfs/dbraw/zinc/49/17/71/745491771.db2.gz KTWXVQTXKOWVHM-INIZCTEOSA-N 1 1 341.415 0.325 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)n3)C2)nn1 ZINC001000428048 745492321 /nfs/dbraw/zinc/49/23/21/745492321.db2.gz NSEJTMKJBPYANW-ZDUSSCGKSA-N 1 1 344.423 0.377 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC000977776134 745495976 /nfs/dbraw/zinc/49/59/76/745495976.db2.gz RIIFEPSBTLXXTK-RDJZCZTQSA-N 1 1 340.427 0.688 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)c[nH]1 ZINC001029277382 745506911 /nfs/dbraw/zinc/50/69/11/745506911.db2.gz GSDWCHWKLZISIX-ZNMIVQPWSA-N 1 1 327.388 0.454 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)CCN3C(=O)CNC3=O)C2)C1 ZINC001027566465 745561446 /nfs/dbraw/zinc/56/14/46/745561446.db2.gz JRMDRBVQSXTDEW-AWEZNQCLSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1 ZINC000977837606 745573680 /nfs/dbraw/zinc/57/36/80/745573680.db2.gz RHSYFPFEXZMTOL-CVEARBPZSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1 ZINC000977837606 745573683 /nfs/dbraw/zinc/57/36/83/745573683.db2.gz RHSYFPFEXZMTOL-CVEARBPZSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000983965918 745593786 /nfs/dbraw/zinc/59/37/86/745593786.db2.gz MBHUQHCZQKRCGS-OAGGEKHMSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000983965918 745593789 /nfs/dbraw/zinc/59/37/89/745593789.db2.gz MBHUQHCZQKRCGS-OAGGEKHMSA-N 1 1 335.448 0.568 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001020713925 752016552 /nfs/dbraw/zinc/01/65/52/752016552.db2.gz IVCQJXOCAFZFAT-ZSAUSMIDSA-N 1 1 348.451 0.879 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cocn1 ZINC000977923653 745653681 /nfs/dbraw/zinc/65/36/81/745653681.db2.gz CDZPJNZSYLSBKQ-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cocn1 ZINC000977923653 745653684 /nfs/dbraw/zinc/65/36/84/745653684.db2.gz CDZPJNZSYLSBKQ-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC=C(CNC(=O)[C@H]3COC(=O)N3)CC2)s1 ZINC001000641571 745656845 /nfs/dbraw/zinc/65/68/45/745656845.db2.gz ZTUZEWXHMXANRG-CQSZACIVSA-N 1 1 346.412 0.976 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@H]3COC(=O)N3)CC2)s1 ZINC001000641571 745656848 /nfs/dbraw/zinc/65/68/48/745656848.db2.gz ZTUZEWXHMXANRG-CQSZACIVSA-N 1 1 346.412 0.976 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(C)C1=O ZINC001029312038 745680291 /nfs/dbraw/zinc/68/02/91/745680291.db2.gz NUVGADCZRXBOKW-ALYAQQCSSA-N 1 1 347.459 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)COCCC)C1 ZINC001059288830 745713886 /nfs/dbraw/zinc/71/38/86/745713886.db2.gz LJFONXDVHOSTCL-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)COCCC)C1 ZINC001059288830 745713891 /nfs/dbraw/zinc/71/38/91/745713891.db2.gz LJFONXDVHOSTCL-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000984037091 745724351 /nfs/dbraw/zinc/72/43/51/745724351.db2.gz FMZRMQMGEOBIDG-CABCVRRESA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnon1 ZINC001029342657 745759524 /nfs/dbraw/zinc/75/95/24/745759524.db2.gz ZBTGRMOIUVXCAH-XHSDSOJGSA-N 1 1 329.404 0.342 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnon1 ZINC001029342657 745759528 /nfs/dbraw/zinc/75/95/28/745759528.db2.gz ZBTGRMOIUVXCAH-XHSDSOJGSA-N 1 1 329.404 0.342 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)N3CCCC3=O)C2)nn1 ZINC001105360883 752031728 /nfs/dbraw/zinc/03/17/28/752031728.db2.gz LLGFRUZJERLEKF-CYBMUJFWSA-N 1 1 346.435 0.338 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC001001001033 745965456 /nfs/dbraw/zinc/96/54/56/745965456.db2.gz HKYQURUUCASIKP-CQSZACIVSA-N 1 1 329.391 0.887 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC001001001048 745965928 /nfs/dbraw/zinc/96/59/28/745965928.db2.gz HRUGHHWDOWQZAU-HNNXBMFYSA-N 1 1 341.402 0.724 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3csnn3)CC2)C1=O ZINC001001012252 745977747 /nfs/dbraw/zinc/97/77/47/745977747.db2.gz HWUXHTOKNAEUQC-AWEZNQCLSA-N 1 1 347.444 0.687 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028069 752053779 /nfs/dbraw/zinc/05/37/79/752053779.db2.gz HEPMPFVUUFFILG-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028069 752053787 /nfs/dbraw/zinc/05/37/87/752053787.db2.gz HEPMPFVUUFFILG-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H]1CC ZINC001087572628 746074793 /nfs/dbraw/zinc/07/47/93/746074793.db2.gz YXKUSRRYGBXBOP-UONOGXRCSA-N 1 1 333.432 0.764 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)[C@@H]2C1 ZINC000978252563 746086658 /nfs/dbraw/zinc/08/66/58/746086658.db2.gz ZSOQMYYWUVRZPW-YHUYYLMFSA-N 1 1 331.460 0.951 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)[C@H]1CC ZINC001087630044 746131657 /nfs/dbraw/zinc/13/16/57/746131657.db2.gz RGVHCSZASIFAGV-MELADBBJSA-N 1 1 331.420 0.539 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2cc(C)c(C(N)=O)cn2)CC1 ZINC001001176406 746138014 /nfs/dbraw/zinc/13/80/14/746138014.db2.gz ADVGFNQNXPZAGI-UHFFFAOYSA-N 1 1 326.400 0.874 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@H]1CC ZINC001087638839 746144046 /nfs/dbraw/zinc/14/40/46/746144046.db2.gz QDBNBPCJOZZFGX-JKSUJKDBSA-N 1 1 331.416 0.711 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccsn4)[C@@H]3C2)C1=O ZINC000978311261 746158959 /nfs/dbraw/zinc/15/89/59/746158959.db2.gz CMFXDADUTNBAHS-GUIRCDHDSA-N 1 1 346.456 0.838 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001001219572 746174292 /nfs/dbraw/zinc/17/42/92/746174292.db2.gz SKOVVRNUFXEYJL-UHFFFAOYSA-N 1 1 346.431 0.412 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnn(CC)c2)C1 ZINC001001245896 746204387 /nfs/dbraw/zinc/20/43/87/746204387.db2.gz CPJAABCEPOJQEE-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnn(CC)c2)C1 ZINC001001245896 746204390 /nfs/dbraw/zinc/20/43/90/746204390.db2.gz CPJAABCEPOJQEE-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001027612383 746209468 /nfs/dbraw/zinc/20/94/68/746209468.db2.gz IDQSKFVMCMJBPS-ZIAGYGMSSA-N 1 1 329.466 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cnn(C)n3)C2)C1=O ZINC001027613469 746235219 /nfs/dbraw/zinc/23/52/19/746235219.db2.gz IFTSVJHDZXVZNK-UKRRQHHQSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)n3)[C@H]2CC)C1=O ZINC001087760196 746289617 /nfs/dbraw/zinc/28/96/17/746289617.db2.gz BIZOWSHITSQTSE-NWANDNLSSA-N 1 1 346.435 0.185 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)n3)[C@H]2CC)C1=O ZINC001087760196 746289622 /nfs/dbraw/zinc/28/96/22/746289622.db2.gz BIZOWSHITSQTSE-NWANDNLSSA-N 1 1 346.435 0.185 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001356614 746303905 /nfs/dbraw/zinc/30/39/05/746303905.db2.gz JAZXICBLXXMQJM-BXUZGUMPSA-N 1 1 329.404 0.272 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC000978421606 746321531 /nfs/dbraw/zinc/32/15/31/746321531.db2.gz GKJPJVCZKKXODG-ZQDZILKHSA-N 1 1 326.462 0.681 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC000978421601 746321936 /nfs/dbraw/zinc/32/19/36/746321936.db2.gz GKJPJVCZKKXODG-TUVASFSCSA-N 1 1 326.462 0.681 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC000978423944 746322817 /nfs/dbraw/zinc/32/28/17/746322817.db2.gz FWZVJFMUWSQRKS-XYYAHUGASA-N 1 1 328.372 0.506 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+](CC(=O)N(C)C)CC2)cn1 ZINC001001382635 746328417 /nfs/dbraw/zinc/32/84/17/746328417.db2.gz YZDDLHDQHAJONJ-UHFFFAOYSA-N 1 1 326.400 0.513 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](CC(=O)N(C)C)CC2)cn1 ZINC001001382635 746328423 /nfs/dbraw/zinc/32/84/23/746328423.db2.gz YZDDLHDQHAJONJ-UHFFFAOYSA-N 1 1 326.400 0.513 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@H](C)C(=O)N(C)C)CC2)cn1 ZINC001001382655 746328934 /nfs/dbraw/zinc/32/89/34/746328934.db2.gz ZHJJSKQRDLWAQX-CQSZACIVSA-N 1 1 340.427 0.902 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC000978440551 746329072 /nfs/dbraw/zinc/32/90/72/746329072.db2.gz OMLKUQZJICFFMD-ZSOGYDGISA-N 1 1 340.383 0.343 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1CC ZINC001087787161 746332984 /nfs/dbraw/zinc/33/29/84/746332984.db2.gz KIXCNGNIGVUEQL-LSDHHAIUSA-N 1 1 347.463 0.926 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)[C@H]1CC ZINC001087788345 746333958 /nfs/dbraw/zinc/33/39/58/746333958.db2.gz NQMNQMKVDCXVCX-IJEWVQPXSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccncc2)C1 ZINC000978511887 746388936 /nfs/dbraw/zinc/38/89/36/746388936.db2.gz HSXQJXANGWKTPR-UAGQMJEPSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccncc2)C1 ZINC000978511887 746388942 /nfs/dbraw/zinc/38/89/42/746388942.db2.gz HSXQJXANGWKTPR-UAGQMJEPSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cccnc2)C1 ZINC000978528860 746408059 /nfs/dbraw/zinc/40/80/59/746408059.db2.gz PLDXPSNJBXUKNL-UAGQMJEPSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cccnc2)C1 ZINC000978528860 746408060 /nfs/dbraw/zinc/40/80/60/746408060.db2.gz PLDXPSNJBXUKNL-UAGQMJEPSA-N 1 1 340.427 0.804 20 30 ECEDMO CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC001001472299 746413576 /nfs/dbraw/zinc/41/35/76/746413576.db2.gz BBHSYFSFCJQOGF-OAHLLOKOSA-N 1 1 326.462 0.805 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001484598 746423551 /nfs/dbraw/zinc/42/35/51/746423551.db2.gz LYGJWHARWVZRJP-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)c[nH]1 ZINC001083418073 746439199 /nfs/dbraw/zinc/43/91/99/746439199.db2.gz QFSIXNJFGBTWEJ-IKGGRYGDSA-N 1 1 346.431 0.602 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001001508534 746446732 /nfs/dbraw/zinc/44/67/32/746446732.db2.gz DQISCUMLFSSPAB-GFCCVEGCSA-N 1 1 329.404 0.416 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC000978603804 746479203 /nfs/dbraw/zinc/47/92/03/746479203.db2.gz RXKJTIFXRFVWHC-CFVMTHIKSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC000978603804 746479206 /nfs/dbraw/zinc/47/92/06/746479206.db2.gz RXKJTIFXRFVWHC-CFVMTHIKSA-N 1 1 329.404 0.132 20 30 ECEDMO CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1)C1CCCC1 ZINC001083418308 746517953 /nfs/dbraw/zinc/51/79/53/746517953.db2.gz CUXVEIVKGWGPJB-IKGGRYGDSA-N 1 1 346.431 0.866 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccnc4c3nnn4C)[C@@H]2C1 ZINC000978645825 746538044 /nfs/dbraw/zinc/53/80/44/746538044.db2.gz WMIPJUCPXWIOER-ZSOGYDGISA-N 1 1 326.404 0.847 20 30 ECEDMO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000978673038 746568967 /nfs/dbraw/zinc/56/89/67/746568967.db2.gz MXGYOLDEGOYNRE-WCXIOVBPSA-N 1 1 338.411 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC000984552850 746610982 /nfs/dbraw/zinc/61/09/82/746610982.db2.gz LUHRRUJWQYZSAQ-HIFRSBDPSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC000984552850 746610984 /nfs/dbraw/zinc/61/09/84/746610984.db2.gz LUHRRUJWQYZSAQ-HIFRSBDPSA-N 1 1 345.403 0.230 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041986479 782552995 /nfs/dbraw/zinc/55/29/95/782552995.db2.gz QXYOUGGDFJKXPO-WBMJQRKESA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041986479 782553000 /nfs/dbraw/zinc/55/30/00/782553000.db2.gz QXYOUGGDFJKXPO-WBMJQRKESA-N 1 1 344.390 0.996 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000978732618 746646028 /nfs/dbraw/zinc/64/60/28/746646028.db2.gz NRWHVTUXLHETTA-BZPMIXESSA-N 1 1 329.404 0.463 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)c1 ZINC001087914824 746656250 /nfs/dbraw/zinc/65/62/50/746656250.db2.gz HOEPSKNOJKOSDR-CVEARBPZSA-N 1 1 326.400 0.714 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)C1=O ZINC001087924893 746666434 /nfs/dbraw/zinc/66/64/34/746666434.db2.gz NXQKRESPPCVVMJ-IJEWVQPXSA-N 1 1 341.415 0.511 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC000978745299 746672944 /nfs/dbraw/zinc/67/29/44/746672944.db2.gz WAGVLGYNCSKNRH-TUVASFSCSA-N 1 1 330.436 0.496 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C1 ZINC001087937408 746686750 /nfs/dbraw/zinc/68/67/50/746686750.db2.gz CKHXDDZMERCTDO-CABCVRRESA-N 1 1 327.856 0.851 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C1 ZINC001087937408 746686753 /nfs/dbraw/zinc/68/67/53/746686753.db2.gz CKHXDDZMERCTDO-CABCVRRESA-N 1 1 327.856 0.851 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCC(=O)NC2=O)C1 ZINC001029465124 746687998 /nfs/dbraw/zinc/68/79/98/746687998.db2.gz NVKYAFGBSAEITO-HZSPNIEDSA-N 1 1 331.416 0.823 20 30 ECEDMO Cn1ccc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1=O ZINC001007135356 752114242 /nfs/dbraw/zinc/11/42/42/752114242.db2.gz WQKNUTFLFKBJPI-HNNXBMFYSA-N 1 1 339.399 0.979 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCN2C(=O)CNC2=O)C1 ZINC001029466366 746693373 /nfs/dbraw/zinc/69/33/73/746693373.db2.gz ODBPKCDPCZGMIR-OKILXGFUSA-N 1 1 346.431 0.570 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN2C(=O)CNC2=O)C1 ZINC001029466366 746693377 /nfs/dbraw/zinc/69/33/77/746693377.db2.gz ODBPKCDPCZGMIR-OKILXGFUSA-N 1 1 346.431 0.570 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001027667931 746695386 /nfs/dbraw/zinc/69/53/86/746695386.db2.gz YWALYQDHYIVKFV-CABCVRRESA-N 1 1 343.855 0.909 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001027667931 746695389 /nfs/dbraw/zinc/69/53/89/746695389.db2.gz YWALYQDHYIVKFV-CABCVRRESA-N 1 1 343.855 0.909 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CC(C)(C)O)C[C@@H]3C2)C1=O ZINC001087951055 746718648 /nfs/dbraw/zinc/71/86/48/746718648.db2.gz ZJXWQYSDTUVBGB-OWCLPIDISA-N 1 1 349.475 0.715 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1=O ZINC001087961667 746746713 /nfs/dbraw/zinc/74/67/13/746746713.db2.gz DSTXSVWJJHHVFV-IXDOHACOSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]2C1 ZINC001087964523 746753545 /nfs/dbraw/zinc/75/35/45/746753545.db2.gz OIPZFNXYVYAURW-ILXRZTDVSA-N 1 1 341.415 0.176 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001027688248 746810176 /nfs/dbraw/zinc/81/01/76/746810176.db2.gz GQQYCEOVWGOLQA-GJZGRUSLSA-N 1 1 343.855 0.909 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001027688248 746810183 /nfs/dbraw/zinc/81/01/83/746810183.db2.gz GQQYCEOVWGOLQA-GJZGRUSLSA-N 1 1 343.855 0.909 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001027688247 746810391 /nfs/dbraw/zinc/81/03/91/746810391.db2.gz GQQYCEOVWGOLQA-CABCVRRESA-N 1 1 343.855 0.909 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001027688247 746810395 /nfs/dbraw/zinc/81/03/95/746810395.db2.gz GQQYCEOVWGOLQA-CABCVRRESA-N 1 1 343.855 0.909 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001001998155 746875633 /nfs/dbraw/zinc/87/56/33/746875633.db2.gz CXBOFBWJULWMCZ-KRWDZBQOSA-N 1 1 325.412 0.808 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)n1 ZINC001059436030 746923461 /nfs/dbraw/zinc/92/34/61/746923461.db2.gz DQDHKDPNFBERTD-ZQDZILKHSA-N 1 1 340.431 0.846 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007155195 752136043 /nfs/dbraw/zinc/13/60/43/752136043.db2.gz JWZCDDUKKAZQCP-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007155195 752136048 /nfs/dbraw/zinc/13/60/48/752136048.db2.gz JWZCDDUKKAZQCP-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000978954736 746950553 /nfs/dbraw/zinc/95/05/53/746950553.db2.gz XMXJNVCCHBJZBZ-YVSFHVDLSA-N 1 1 346.475 0.189 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@@H]2C1 ZINC001087993878 746955547 /nfs/dbraw/zinc/95/55/47/746955547.db2.gz IGTGLGGOCXCPQZ-SQNIBIBYSA-N 1 1 343.475 0.617 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1 ZINC001002086200 746962887 /nfs/dbraw/zinc/96/28/87/746962887.db2.gz QQADWICMAIHUJJ-CUBALJKWSA-N 1 1 341.415 0.700 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(=O)NC)nc3)[C@@H]2C1 ZINC000978964137 746964411 /nfs/dbraw/zinc/96/44/11/746964411.db2.gz AWLRWGNNQRIYJM-QKDCVEJESA-N 1 1 328.416 0.925 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)nc1 ZINC001059445993 746977238 /nfs/dbraw/zinc/97/72/38/746977238.db2.gz HRVTVJWWJDRJLX-VGWMRTNUSA-N 1 1 341.415 0.876 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001059446547 746983192 /nfs/dbraw/zinc/98/31/92/746983192.db2.gz ZDIAITZQHCZIGO-VQHPVUNQSA-N 1 1 341.415 0.876 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001002191833 747067744 /nfs/dbraw/zinc/06/77/44/747067744.db2.gz CLUJUTHKSOCGJJ-XHSDSOJGSA-N 1 1 335.448 0.636 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 ZINC001088019290 747075267 /nfs/dbraw/zinc/07/52/67/747075267.db2.gz FVIMPRIQDWWNHQ-OLZOCXBDSA-N 1 1 339.827 0.115 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 ZINC001088019290 747075275 /nfs/dbraw/zinc/07/52/75/747075275.db2.gz FVIMPRIQDWWNHQ-OLZOCXBDSA-N 1 1 339.827 0.115 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088032196 747113669 /nfs/dbraw/zinc/11/36/69/747113669.db2.gz DWDFQEULVGXOGB-ZNMIVQPWSA-N 1 1 326.462 0.778 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088032196 747113673 /nfs/dbraw/zinc/11/36/73/747113673.db2.gz DWDFQEULVGXOGB-ZNMIVQPWSA-N 1 1 326.462 0.778 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@@H]2C1 ZINC001088050394 747147239 /nfs/dbraw/zinc/14/72/39/747147239.db2.gz DRBYGOFOZTXWLK-YCPHGPKFSA-N 1 1 341.415 0.169 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@@H]2C1 ZINC001088050664 747147270 /nfs/dbraw/zinc/14/72/70/747147270.db2.gz QSAGNLRCOHRIOF-YCPHGPKFSA-N 1 1 343.431 0.722 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@@H]2C1 ZINC001088053746 747162368 /nfs/dbraw/zinc/16/23/68/747162368.db2.gz YCMISUWZJIGLEQ-QLFBSQMISA-N 1 1 343.418 0.919 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C[C@@H]2C1 ZINC001088054713 747163216 /nfs/dbraw/zinc/16/32/16/747163216.db2.gz RFANLZPIJATJKU-PMPSAXMXSA-N 1 1 342.443 0.951 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@]2(C)C1 ZINC000982422170 752163138 /nfs/dbraw/zinc/16/31/38/752163138.db2.gz QITZMMOUDPQOCL-KDURUIRLSA-N 1 1 342.443 0.814 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]3C2)c1 ZINC001088099316 747381897 /nfs/dbraw/zinc/38/18/97/747381897.db2.gz DRDDHCPZDLWJSA-XPKDYRNWSA-N 1 1 326.400 0.331 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)c(C)n2)C1 ZINC001105409265 747416994 /nfs/dbraw/zinc/41/69/94/747416994.db2.gz AXCWHJLMJWNLAR-MRXNPFEDSA-N 1 1 345.447 0.877 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)c(C)n2)C1 ZINC001105409265 747416997 /nfs/dbraw/zinc/41/69/97/747416997.db2.gz AXCWHJLMJWNLAR-MRXNPFEDSA-N 1 1 345.447 0.877 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(C)cc3=O)C[C@@H]2C1 ZINC001088123692 747436363 /nfs/dbraw/zinc/43/63/63/747436363.db2.gz BGAWOKMMNZKUCF-SJORKVTESA-N 1 1 327.428 0.960 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC001002518080 747460066 /nfs/dbraw/zinc/46/00/66/747460066.db2.gz RYAARIUJZQPLPF-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)CC[C@@H]2C1 ZINC001088136940 747471932 /nfs/dbraw/zinc/47/19/32/747471932.db2.gz OYMYDWGWYTYQMX-AESZEHBQSA-N 1 1 335.448 0.494 20 30 ECEDMO CCn1nncc1C[NH+]1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001002550538 747501823 /nfs/dbraw/zinc/50/18/23/747501823.db2.gz DTEIPAFOOMNRSB-UHFFFAOYSA-N 1 1 327.392 0.892 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(C#N)n2)C1 ZINC001059498741 747538539 /nfs/dbraw/zinc/53/85/39/747538539.db2.gz VFVGJBMTVWMKTG-AVOUXACISA-N 1 1 340.431 0.916 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCOC)nn2)C1 ZINC001105342384 747568810 /nfs/dbraw/zinc/56/88/10/747568810.db2.gz AMUDIJNAIFAWOG-HOTGVXAUSA-N 1 1 349.435 0.379 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]2C1 ZINC001088169015 747583167 /nfs/dbraw/zinc/58/31/67/747583167.db2.gz CQSMNHLJYWBYTJ-KGLIPLIRSA-N 1 1 339.399 0.852 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)nn1 ZINC001105342709 747587804 /nfs/dbraw/zinc/58/78/04/747587804.db2.gz RVVDVCSUICNKGJ-DLBZAZTESA-N 1 1 345.447 1.000 20 30 ECEDMO C[C@H]([NH2+]Cc1ncnn1CCF)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979329291 747622444 /nfs/dbraw/zinc/62/24/44/747622444.db2.gz IBYGRHBAGKPRJK-ZFWWWQNUSA-N 1 1 349.410 0.367 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H]([C@H](C)[NH2+]Cc3cnn(C)n3)C2)C1 ZINC000979375887 747703021 /nfs/dbraw/zinc/70/30/21/747703021.db2.gz ITOJIEDPNISWKO-ZFWWWQNUSA-N 1 1 333.436 0.877 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@@H]2C1 ZINC001088187062 747704705 /nfs/dbraw/zinc/70/47/05/747704705.db2.gz FKHOACMNQPJURV-IXDOHACOSA-N 1 1 333.432 0.037 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2nnnn2C)C1 ZINC000979379840 747707249 /nfs/dbraw/zinc/70/72/49/747707249.db2.gz SXXVWTQXCHFEPL-QWHCGFSZSA-N 1 1 336.440 0.518 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000985332764 747735656 /nfs/dbraw/zinc/73/56/56/747735656.db2.gz SRLFGGVYYFZFSH-GFCCVEGCSA-N 1 1 349.435 0.399 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204962 747741811 /nfs/dbraw/zinc/74/18/11/747741811.db2.gz VXPKKVKEVRXFCS-AGIUHOORSA-N 1 1 347.868 0.211 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204962 747741817 /nfs/dbraw/zinc/74/18/17/747741817.db2.gz VXPKKVKEVRXFCS-AGIUHOORSA-N 1 1 347.868 0.211 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 ZINC001088225109 747770716 /nfs/dbraw/zinc/77/07/16/747770716.db2.gz BWMFEATZNOEJBY-SFHVURJKSA-N 1 1 343.427 0.896 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CS(C)(=O)=O)CC2)C1 ZINC001088229472 747779685 /nfs/dbraw/zinc/77/96/85/747779685.db2.gz RMQAAHBFEIUWNC-HNNXBMFYSA-N 1 1 344.477 0.547 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(CO[C@H]2CCN(CC#N)C2)CC1 ZINC001088230368 747782813 /nfs/dbraw/zinc/78/28/13/747782813.db2.gz OMVDVEZEDFYLSV-IRXDYDNUSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001088233644 747795400 /nfs/dbraw/zinc/79/54/00/747795400.db2.gz WEMVODQATMHMLY-JKSUJKDBSA-N 1 1 349.431 0.448 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC001088235524 747818057 /nfs/dbraw/zinc/81/80/57/747818057.db2.gz UWCHUWYBDDERHB-APWZRJJASA-N 1 1 347.459 0.475 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000988498067 752216239 /nfs/dbraw/zinc/21/62/39/752216239.db2.gz CXKPDNPRBCOHAC-WCQYABFASA-N 1 1 342.407 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2n[nH]cc2C)C1 ZINC001002827978 747842997 /nfs/dbraw/zinc/84/29/97/747842997.db2.gz ZFGZYUTXOMDNQE-AWEZNQCLSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2n[nH]cc2C)C1 ZINC001002827978 747843012 /nfs/dbraw/zinc/84/30/12/747843012.db2.gz ZFGZYUTXOMDNQE-AWEZNQCLSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2ccsc2)C1 ZINC001002829125 747845492 /nfs/dbraw/zinc/84/54/92/747845492.db2.gz JEKMEIKUNFABQO-INIZCTEOSA-N 1 1 345.468 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2ccsc2)C1 ZINC001002829125 747845498 /nfs/dbraw/zinc/84/54/98/747845498.db2.gz JEKMEIKUNFABQO-INIZCTEOSA-N 1 1 345.468 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2ccc(C)o2)C1 ZINC001002830464 747848011 /nfs/dbraw/zinc/84/80/11/747848011.db2.gz SQVMKMQKXSHNRA-KRWDZBQOSA-N 1 1 343.427 0.803 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2ccc(C)o2)C1 ZINC001002830464 747848017 /nfs/dbraw/zinc/84/80/17/747848017.db2.gz SQVMKMQKXSHNRA-KRWDZBQOSA-N 1 1 343.427 0.803 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]Cc3cnon3)C2)nc1 ZINC000979442375 747848278 /nfs/dbraw/zinc/84/82/78/747848278.db2.gz GJJCUIGMTNCFTB-MLGOLLRUSA-N 1 1 341.371 0.465 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C(C)(C)C(F)F)C1 ZINC001002835109 747856739 /nfs/dbraw/zinc/85/67/39/747856739.db2.gz KNHZZLSLQWJBBO-ZDUSSCGKSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C(C)(C)C(F)F)C1 ZINC001002835109 747856748 /nfs/dbraw/zinc/85/67/48/747856748.db2.gz KNHZZLSLQWJBBO-ZDUSSCGKSA-N 1 1 341.402 0.950 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cncnc3)CC2)C1=O ZINC000985394611 747895951 /nfs/dbraw/zinc/89/59/51/747895951.db2.gz FDEQORKSNYBRSO-MRXNPFEDSA-N 1 1 343.431 0.800 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nnn(C)c2C)C1=O ZINC001027804078 747912785 /nfs/dbraw/zinc/91/27/85/747912785.db2.gz VHTOVQJCYIKTPT-ZIAGYGMSSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nnn(C)c2C)C1=O ZINC001027804078 747912789 /nfs/dbraw/zinc/91/27/89/747912789.db2.gz VHTOVQJCYIKTPT-ZIAGYGMSSA-N 1 1 346.435 0.105 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001027805324 747920120 /nfs/dbraw/zinc/92/01/20/747920120.db2.gz QXADGRZZMRKHDD-OALUTQOASA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2)C1 ZINC001027805324 747920124 /nfs/dbraw/zinc/92/01/24/747920124.db2.gz QXADGRZZMRKHDD-OALUTQOASA-N 1 1 341.455 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@H](O)C(C)C)CC2)C1=O ZINC000985413873 747933237 /nfs/dbraw/zinc/93/32/37/747933237.db2.gz SFJRJZMUYPSGAR-HZPDHXFCSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC001088239848 747933803 /nfs/dbraw/zinc/93/38/03/747933803.db2.gz IHRAQHXFZVPVKT-MRXNPFEDSA-N 1 1 348.451 0.579 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cn3cccn3)C2)C1=O ZINC001029648176 747977876 /nfs/dbraw/zinc/97/78/76/747977876.db2.gz HOGKCERLONSRHH-JKSUJKDBSA-N 1 1 345.447 0.450 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cn3cccn3)C2)C1=O ZINC001029648173 747978005 /nfs/dbraw/zinc/97/80/05/747978005.db2.gz HOGKCERLONSRHH-CVEARBPZSA-N 1 1 345.447 0.450 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cccn2)c1 ZINC001027813756 748011012 /nfs/dbraw/zinc/01/10/12/748011012.db2.gz AHXXRDCUFZXSOQ-LSDHHAIUSA-N 1 1 342.403 0.338 20 30 ECEDMO COCCc1noc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001029679636 748045700 /nfs/dbraw/zinc/04/57/00/748045700.db2.gz OODHFPMWIWMGQH-OLZOCXBDSA-N 1 1 335.408 0.698 20 30 ECEDMO COCCc1noc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001029679636 748045705 /nfs/dbraw/zinc/04/57/05/748045705.db2.gz OODHFPMWIWMGQH-OLZOCXBDSA-N 1 1 335.408 0.698 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979605453 748095059 /nfs/dbraw/zinc/09/50/59/748095059.db2.gz DMAFHKAQZVLLAQ-WHOFXGATSA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979613489 748121704 /nfs/dbraw/zinc/12/17/04/748121704.db2.gz PHKBRKLJLZSNNU-QHSBEEBCSA-N 1 1 343.431 0.709 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001029712669 748125831 /nfs/dbraw/zinc/12/58/31/748125831.db2.gz XZYPZYYWRQUUND-WFASDCNBSA-N 1 1 329.404 0.511 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000979656711 748167721 /nfs/dbraw/zinc/16/77/21/748167721.db2.gz KTZJNZXEYZMBAD-YDHLFZDLSA-N 1 1 343.431 0.853 20 30 ECEDMO COCCc1noc(C[N@H+](C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029732758 748183936 /nfs/dbraw/zinc/18/39/36/748183936.db2.gz BMSYNVDFSDQHLX-HNNXBMFYSA-N 1 1 346.431 0.952 20 30 ECEDMO COCCc1noc(C[N@@H+](C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029732758 748183938 /nfs/dbraw/zinc/18/39/38/748183938.db2.gz BMSYNVDFSDQHLX-HNNXBMFYSA-N 1 1 346.431 0.952 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)NC(C)=O)C2)nn1 ZINC001105343953 748238782 /nfs/dbraw/zinc/23/87/82/748238782.db2.gz DUWSDNAQHXQZSR-UHFFFAOYSA-N 1 1 334.424 0.242 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000979773582 748399695 /nfs/dbraw/zinc/39/96/95/748399695.db2.gz ABFFDONQJBDAIB-MGPQQGTHSA-N 1 1 346.435 0.040 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000979790895 748405183 /nfs/dbraw/zinc/40/51/83/748405183.db2.gz MDRLFKRNWHIWBT-QCODTGAPSA-N 1 1 335.448 0.540 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 ZINC001075859017 748449302 /nfs/dbraw/zinc/44/93/02/748449302.db2.gz PINMRLXWVORQDU-QWHCGFSZSA-N 1 1 347.868 0.307 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 ZINC001075859017 748449309 /nfs/dbraw/zinc/44/93/09/748449309.db2.gz PINMRLXWVORQDU-QWHCGFSZSA-N 1 1 347.868 0.307 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccc(C#N)c3)C2)n1 ZINC001029806747 748503172 /nfs/dbraw/zinc/50/31/72/748503172.db2.gz RCDMXKCDJBMWTI-OAHLLOKOSA-N 1 1 339.403 0.676 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000979822098 748508771 /nfs/dbraw/zinc/50/87/71/748508771.db2.gz ZSTIJSNEFMQNRW-GVDBMIGSSA-N 1 1 340.427 0.958 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccccc2)CC1)[C@@H]1CCNC1=O ZINC001003425097 748540556 /nfs/dbraw/zinc/54/05/56/748540556.db2.gz AOUAUHBVRBFNMH-QGZVFWFLSA-N 1 1 325.412 0.755 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001029821546 748598425 /nfs/dbraw/zinc/59/84/25/748598425.db2.gz NYDNKKJJGGWWIZ-CYBMUJFWSA-N 1 1 330.388 0.332 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)c(F)c1 ZINC001003533049 748652206 /nfs/dbraw/zinc/65/22/06/748652206.db2.gz JTZQYKLVBQKWFL-HNNXBMFYSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CS(=O)(=O)C3)C[C@@H]2C1 ZINC000979977628 748753479 /nfs/dbraw/zinc/75/34/79/748753479.db2.gz GJTLVRMVSROCHW-RRFJBIMHSA-N 1 1 326.462 0.824 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]2C1 ZINC000979980312 748757777 /nfs/dbraw/zinc/75/77/77/748757777.db2.gz VUCPWCMMRFOXQA-SOUVJXGZSA-N 1 1 328.416 0.850 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cccnn2)C1 ZINC000979969130 748762939 /nfs/dbraw/zinc/76/29/39/748762939.db2.gz WSPJICIMSGCJMH-DZKIICNBSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cccnn2)C1 ZINC000979969130 748762942 /nfs/dbraw/zinc/76/29/42/748762942.db2.gz WSPJICIMSGCJMH-DZKIICNBSA-N 1 1 341.415 0.199 20 30 ECEDMO COc1ccc(C#N)cc1CN1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030156027 761893697 /nfs/dbraw/zinc/89/36/97/761893697.db2.gz SVTVCLUOSXJEGJ-MRXNPFEDSA-N 1 1 328.416 0.961 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)[C@H]3CCCNC3=O)CC2)nn1 ZINC000985694255 748882104 /nfs/dbraw/zinc/88/21/04/748882104.db2.gz DEKFUUUARBHHNS-HNNXBMFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001059625539 748883448 /nfs/dbraw/zinc/88/34/48/748883448.db2.gz BMPAJSFISXHIRD-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001059625539 748883450 /nfs/dbraw/zinc/88/34/50/748883450.db2.gz BMPAJSFISXHIRD-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@@H+](C)CCn3cncn3)CC2)nn1 ZINC000985695465 748884238 /nfs/dbraw/zinc/88/42/38/748884238.db2.gz ONZWFMBKYANSAA-UHFFFAOYSA-N 1 1 344.423 0.292 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCC2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC001003787497 748895426 /nfs/dbraw/zinc/89/54/26/748895426.db2.gz QQKFXSANGQLMJY-JSGCOSHPSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCN(C)C3=O)C2)nn1 ZINC001029860199 748963235 /nfs/dbraw/zinc/96/32/35/748963235.db2.gz NZENNMPHAVXSEG-ZFWWWQNUSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nn(C)cc2C)C1=O ZINC001027878757 748972038 /nfs/dbraw/zinc/97/20/38/748972038.db2.gz HYNYSBWYCKRDCU-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nn(C)cc2C)C1=O ZINC001027878757 748972044 /nfs/dbraw/zinc/97/20/44/748972044.db2.gz HYNYSBWYCKRDCU-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC000985741661 748988280 /nfs/dbraw/zinc/98/82/80/748988280.db2.gz LYWXVIYVWHQFIT-UHFFFAOYSA-N 1 1 333.436 0.490 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(=O)NC)C[C@H]3C2)c1 ZINC000980149169 749070798 /nfs/dbraw/zinc/07/07/98/749070798.db2.gz OBYYGLPVXJFERY-DJIMGWMZSA-N 1 1 340.427 0.639 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000985781617 749079368 /nfs/dbraw/zinc/07/93/68/749079368.db2.gz MJJQSUKGBPLKDU-UHFFFAOYSA-N 1 1 327.812 0.811 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2nccnc2C(N)=O)CC1 ZINC000985784073 749087658 /nfs/dbraw/zinc/08/76/58/749087658.db2.gz ILNBTJDQUMFMNG-UHFFFAOYSA-N 1 1 337.811 0.864 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001059645754 749090277 /nfs/dbraw/zinc/09/02/77/749090277.db2.gz IBSFXJHXCVPUQD-INIZCTEOSA-N 1 1 337.464 0.723 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001059646962 749099190 /nfs/dbraw/zinc/09/91/90/749099190.db2.gz AFPGFUWXQNGOIV-BETUJISGSA-N 1 1 325.376 0.921 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@@H]3C2)cc1 ZINC000980166679 749101203 /nfs/dbraw/zinc/10/12/03/749101203.db2.gz QGJSKTSLECRNGO-ARFHVFGLSA-N 1 1 326.400 0.760 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(=O)n(CC)n3)C[C@@H]2C1 ZINC000980194999 749129083 /nfs/dbraw/zinc/12/90/83/749129083.db2.gz TZSGLVWSRLFKGV-ZNMIVQPWSA-N 1 1 328.416 0.727 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001098734686 749167304 /nfs/dbraw/zinc/16/73/04/749167304.db2.gz WGNMJQRSIDADNB-HOCLYGCPSA-N 1 1 330.436 0.116 20 30 ECEDMO CC(C)=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)CC1 ZINC000985825869 749183778 /nfs/dbraw/zinc/18/37/78/749183778.db2.gz RYDPDGGSSBWWRZ-INIZCTEOSA-N 1 1 347.463 0.994 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cocn3)CC2)CC1 ZINC000985825838 749183823 /nfs/dbraw/zinc/18/38/23/749183823.db2.gz RPFGHRBESOPUQW-UHFFFAOYSA-N 1 1 347.419 0.746 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC000980246477 749234836 /nfs/dbraw/zinc/23/48/36/749234836.db2.gz QLQYOKADMUEDHK-KKUMJFAQSA-N 1 1 348.447 0.721 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC000980243644 749249329 /nfs/dbraw/zinc/24/93/29/749249329.db2.gz KANHSZXKVFFCAL-IHRRRGAJSA-N 1 1 343.431 0.982 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC000980258582 749266504 /nfs/dbraw/zinc/26/65/04/749266504.db2.gz ZEYNJWOMCMNDOA-RWMBFGLXSA-N 1 1 332.404 0.502 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCCNc2ccnc(C#N)n2)C1 ZINC001114946320 749275492 /nfs/dbraw/zinc/27/54/92/749275492.db2.gz ISXKRLJDHZQGTD-ZIAGYGMSSA-N 1 1 346.435 0.188 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCCNc2ccnc(C#N)n2)C1 ZINC001114946320 749275498 /nfs/dbraw/zinc/27/54/98/749275498.db2.gz ISXKRLJDHZQGTD-ZIAGYGMSSA-N 1 1 346.435 0.188 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC000980271064 749281360 /nfs/dbraw/zinc/28/13/60/749281360.db2.gz SXTTUDSRWPEXIL-ROUUACIJSA-N 1 1 339.439 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccn2)C1 ZINC000980286821 749302324 /nfs/dbraw/zinc/30/23/24/749302324.db2.gz MUIODVDOLAEGNU-KKUMJFAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccn2)C1 ZINC000980286821 749302329 /nfs/dbraw/zinc/30/23/29/749302329.db2.gz MUIODVDOLAEGNU-KKUMJFAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CCNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001059674117 749335183 /nfs/dbraw/zinc/33/51/83/749335183.db2.gz JHZGRPBMDLPWGZ-DZGCQCFKSA-N 1 1 343.431 0.806 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CCNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001059674750 749343148 /nfs/dbraw/zinc/34/31/48/749343148.db2.gz UAVGEUVJIJFOFY-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cn(C)nn3)C2)nc1 ZINC001029891851 749465955 /nfs/dbraw/zinc/46/59/55/749465955.db2.gz LTBPTKGXGCVKIL-OAHLLOKOSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cn(C)nn3)C2)nc1 ZINC001029891851 749465958 /nfs/dbraw/zinc/46/59/58/749465958.db2.gz LTBPTKGXGCVKIL-OAHLLOKOSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCCNC3=O)C2)cn1 ZINC001029892047 749466378 /nfs/dbraw/zinc/46/63/78/749466378.db2.gz NZBXSSCABUUPCE-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC(N)=O)CC2)[nH]1 ZINC001004409282 749473143 /nfs/dbraw/zinc/47/31/43/749473143.db2.gz VFFFHEJZDZESLK-HNNXBMFYSA-N 1 1 329.404 0.688 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001004449751 749511864 /nfs/dbraw/zinc/51/18/64/749511864.db2.gz OOSJQAOIIIBUAR-LBPRGKRZSA-N 1 1 345.403 0.618 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001004503764 749576184 /nfs/dbraw/zinc/57/61/84/749576184.db2.gz ZDBMXWCJJKZNKH-INIZCTEOSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001004547647 749608757 /nfs/dbraw/zinc/60/87/57/749608757.db2.gz PAIWWGFNQUVCNF-IXDOHACOSA-N 1 1 347.459 0.746 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)[C@H](CC)C(N)=O)C2)CC1 ZINC000980477668 749630326 /nfs/dbraw/zinc/63/03/26/749630326.db2.gz IROBMFWYXHUVTN-JKSUJKDBSA-N 1 1 334.464 0.128 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)n[nH]3)[C@H]2C)C1=O ZINC001088482930 749642687 /nfs/dbraw/zinc/64/26/87/749642687.db2.gz GWLCWLKFHMZDNR-VNHYZAJKSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)n[nH]3)[C@H]2C)C1=O ZINC001088482930 749642690 /nfs/dbraw/zinc/64/26/90/749642690.db2.gz GWLCWLKFHMZDNR-VNHYZAJKSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nn3C)[C@H]2C)C1=O ZINC001088484633 749653850 /nfs/dbraw/zinc/65/38/50/749653850.db2.gz QZIGGVPWYIGEHC-QLFBSQMISA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)nn3C)[C@H]2C)C1=O ZINC001088484633 749653855 /nfs/dbraw/zinc/65/38/55/749653855.db2.gz QZIGGVPWYIGEHC-QLFBSQMISA-N 1 1 345.447 0.708 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1csnn1 ZINC001027942266 749664632 /nfs/dbraw/zinc/66/46/32/749664632.db2.gz BDTRYUXVDXABIE-CABCVRRESA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1csnn1 ZINC001027942266 749664635 /nfs/dbraw/zinc/66/46/35/749664635.db2.gz BDTRYUXVDXABIE-CABCVRRESA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC001004615290 749690082 /nfs/dbraw/zinc/69/00/82/749690082.db2.gz FOWBKDVTOZGHFW-CVEARBPZSA-N 1 1 338.473 0.900 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001004624386 749701655 /nfs/dbraw/zinc/70/16/55/749701655.db2.gz SMWKXQAJLUZFAH-MRXNPFEDSA-N 1 1 345.443 0.862 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001027950346 749782780 /nfs/dbraw/zinc/78/27/80/749782780.db2.gz CDUFVFOLQXZRDI-KBPBESRZSA-N 1 1 345.403 0.163 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)no1 ZINC000980575397 749802835 /nfs/dbraw/zinc/80/28/35/749802835.db2.gz OFVYHYWLOIJUIV-HIFRSBDPSA-N 1 1 346.431 0.999 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000980579053 749807192 /nfs/dbraw/zinc/80/71/92/749807192.db2.gz HVERDPCJSYRFJA-KWRZAIAESA-N 1 1 349.475 0.929 20 30 ECEDMO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001004794356 749875496 /nfs/dbraw/zinc/87/54/96/749875496.db2.gz ADMVNMLJNOKESO-SMDDNHRTSA-N 1 1 342.407 0.583 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001004807669 749892368 /nfs/dbraw/zinc/89/23/68/749892368.db2.gz ICOAURUBLPHVMT-RISCZKNCSA-N 1 1 342.407 0.583 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001004810357 749896398 /nfs/dbraw/zinc/89/63/98/749896398.db2.gz POTHPSTUGLHZFK-RISCZKNCSA-N 1 1 342.407 0.583 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(OCC#N)cc3)C2)C1 ZINC001030182790 762010043 /nfs/dbraw/zinc/01/00/43/762010043.db2.gz NSGCYQQSSVIXHR-QGZVFWFLSA-N 1 1 344.415 0.220 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(OCC#N)cc3)C2)C1 ZINC001030182790 762010051 /nfs/dbraw/zinc/01/00/51/762010051.db2.gz NSGCYQQSSVIXHR-QGZVFWFLSA-N 1 1 344.415 0.220 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3CCCOC3)CC2)C1=O ZINC000980827424 750216690 /nfs/dbraw/zinc/21/66/90/750216690.db2.gz CWZAFVXPJPUXDL-JKSUJKDBSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3CCCOC3)CC2)C1=O ZINC000980827424 750216693 /nfs/dbraw/zinc/21/66/93/750216693.db2.gz CWZAFVXPJPUXDL-JKSUJKDBSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccnnc2C)C1=O ZINC001028001460 750291369 /nfs/dbraw/zinc/29/13/69/750291369.db2.gz VHJRTAYAQAVOPY-GDBMZVCRSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccnnc2C)C1=O ZINC001028001460 750291374 /nfs/dbraw/zinc/29/13/74/750291374.db2.gz VHJRTAYAQAVOPY-GDBMZVCRSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[C@H]3CCOC3)CC2)C1=O ZINC000980879223 750295131 /nfs/dbraw/zinc/29/51/31/750295131.db2.gz IHIKEGPDYDLHCE-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[C@H]3CCOC3)CC2)C1=O ZINC000980879223 750295132 /nfs/dbraw/zinc/29/51/32/750295132.db2.gz IHIKEGPDYDLHCE-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cncn2C)C1=O ZINC001028003554 750326437 /nfs/dbraw/zinc/32/64/37/750326437.db2.gz JNXAGIDCPCUGBU-UONOGXRCSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cncn2C)C1=O ZINC001028003554 750326444 /nfs/dbraw/zinc/32/64/44/750326444.db2.gz JNXAGIDCPCUGBU-UONOGXRCSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cc[nH]c(=O)c3)CC2)C1=O ZINC000980957963 750396987 /nfs/dbraw/zinc/39/69/87/750396987.db2.gz NZSAXTWJKYYUQK-OAHLLOKOSA-N 1 1 344.415 0.722 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cc[nH]c(=O)c3)CC2)C1=O ZINC000980957963 750396995 /nfs/dbraw/zinc/39/69/95/750396995.db2.gz NZSAXTWJKYYUQK-OAHLLOKOSA-N 1 1 344.415 0.722 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001005227878 750402623 /nfs/dbraw/zinc/40/26/23/750402623.db2.gz UGOAWKVLSHLJAJ-UHFFFAOYSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001028059798 750436427 /nfs/dbraw/zinc/43/64/27/750436427.db2.gz CCZQQXAWOCCYFA-ZDUSSCGKSA-N 1 1 344.423 0.854 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cn(CCC)nn3)C2)nn1 ZINC001105351641 750464195 /nfs/dbraw/zinc/46/41/95/750464195.db2.gz DKHPUDVNBAMGRS-UHFFFAOYSA-N 1 1 344.423 0.642 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)cc1 ZINC001028072183 750495301 /nfs/dbraw/zinc/49/53/01/750495301.db2.gz IYTZFRARPFKZPP-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001028074543 750515630 /nfs/dbraw/zinc/51/56/30/750515630.db2.gz ISBAJXPQAJQYRS-QWHCGFSZSA-N 1 1 347.419 0.107 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2)NC1=O ZINC001028075948 750525058 /nfs/dbraw/zinc/52/50/58/750525058.db2.gz GCEAQUQRKGCGFW-SJORKVTESA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccccc2)NC1=O ZINC001028075948 750525060 /nfs/dbraw/zinc/52/50/60/750525060.db2.gz GCEAQUQRKGCGFW-SJORKVTESA-N 1 1 340.427 0.642 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)[nH]3)[C@@H]2C)nn1 ZINC000987132214 750525589 /nfs/dbraw/zinc/52/55/89/750525589.db2.gz GYSNCHGFIRCFPC-CMPLNLGQSA-N 1 1 330.396 0.283 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000981283240 750542674 /nfs/dbraw/zinc/54/26/74/750542674.db2.gz RQIVDRDDYHUTJG-UHFFFAOYSA-N 1 1 329.466 0.522 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+][C@@H](C)c2nc(COC)no2)nn1 ZINC001167838836 750543513 /nfs/dbraw/zinc/54/35/13/750543513.db2.gz NOIZBMIAXXTVCI-NSHDSACASA-N 1 1 349.395 0.464 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001028076417 750543787 /nfs/dbraw/zinc/54/37/87/750543787.db2.gz NWCKHCXNBHDSIR-RISCZKNCSA-N 1 1 347.444 0.724 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001028076417 750543792 /nfs/dbraw/zinc/54/37/92/750543792.db2.gz NWCKHCXNBHDSIR-RISCZKNCSA-N 1 1 347.444 0.724 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(C)cc3=O)C2)nn1 ZINC001105356515 750555942 /nfs/dbraw/zinc/55/59/42/750555942.db2.gz XHFGQEDGGBRFQS-UHFFFAOYSA-N 1 1 342.403 0.638 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)[C@@H]2C)nn1 ZINC000987165489 750559375 /nfs/dbraw/zinc/55/93/75/750559375.db2.gz DUAIIDAJJMBITB-WCQYABFASA-N 1 1 331.380 0.630 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](CCc2cnn(C)c2)CC1 ZINC000981361490 750625898 /nfs/dbraw/zinc/62/58/98/750625898.db2.gz POFKLYQVMSNPBL-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001059789926 750671195 /nfs/dbraw/zinc/67/11/95/750671195.db2.gz FHBINMSLZIZBIH-CVEARBPZSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000981451011 750697348 /nfs/dbraw/zinc/69/73/48/750697348.db2.gz PUWNFEJKADBVAC-OLZOCXBDSA-N 1 1 334.338 0.890 20 30 ECEDMO C=CCC[N@@H+]1CCCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC000981446420 750706163 /nfs/dbraw/zinc/70/61/63/750706163.db2.gz HJKZAYQDLQZJGH-UHFFFAOYSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CCC[N@H+]1CCCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC000981446420 750706166 /nfs/dbraw/zinc/70/61/66/750706166.db2.gz HJKZAYQDLQZJGH-UHFFFAOYSA-N 1 1 326.462 0.922 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001005867392 750745902 /nfs/dbraw/zinc/74/59/02/750745902.db2.gz RPMMVWPQUBIEDB-DGCLKSJQSA-N 1 1 329.404 0.415 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000987449003 750849635 /nfs/dbraw/zinc/84/96/35/750849635.db2.gz RBJOBFNDPXEWJW-ZLDLUXBVSA-N 1 1 329.404 0.700 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC000981669772 750949462 /nfs/dbraw/zinc/94/94/62/750949462.db2.gz WMFRADYRSRXDDS-KGLIPLIRSA-N 1 1 328.420 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ncc[nH]2)C1 ZINC001006047657 750962776 /nfs/dbraw/zinc/96/27/76/750962776.db2.gz IMVWVXMDZTVGQW-JSGCOSHPSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ncc[nH]2)C1 ZINC001006047657 750962779 /nfs/dbraw/zinc/96/27/79/750962779.db2.gz IMVWVXMDZTVGQW-JSGCOSHPSA-N 1 1 329.404 0.084 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000987621077 751042398 /nfs/dbraw/zinc/04/23/98/751042398.db2.gz SMZIMAUIDAADPA-BZPMIXESSA-N 1 1 329.404 0.557 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001006126090 751046650 /nfs/dbraw/zinc/04/66/50/751046650.db2.gz MUKIGZKHJFIFBD-HIFRSBDPSA-N 1 1 340.427 0.591 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001006127153 751048527 /nfs/dbraw/zinc/04/85/27/751048527.db2.gz LOOIVAOOQCSSMR-JYJNAYRXSA-N 1 1 335.448 0.779 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001006182066 751094925 /nfs/dbraw/zinc/09/49/25/751094925.db2.gz QNKDXQZDSMATGJ-LALPHHSUSA-N 1 1 343.431 0.803 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)[C@H]2CCCO2)C1 ZINC001006237683 751144717 /nfs/dbraw/zinc/14/47/17/751144717.db2.gz KQBYOJGWOVCGDL-CWRNSKLLSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)[C@H]2CCCO2)C1 ZINC001006237683 751144720 /nfs/dbraw/zinc/14/47/20/751144720.db2.gz KQBYOJGWOVCGDL-CWRNSKLLSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001028135129 751175386 /nfs/dbraw/zinc/17/53/86/751175386.db2.gz MILOKJXTQRSIRZ-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC001006290297 751206626 /nfs/dbraw/zinc/20/66/26/751206626.db2.gz WTBAXIIYPFTZPW-SVGFKBNWSA-N 1 1 329.444 0.990 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3cnnn3C)CC2)nc1 ZINC001006303656 751222253 /nfs/dbraw/zinc/22/22/53/751222253.db2.gz PHBWMKHBFSCDQO-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+]([C@H](C)C(=O)NC)CC2)nc1 ZINC001006304252 751222680 /nfs/dbraw/zinc/22/26/80/751222680.db2.gz XLPBXZBPFMNZLG-CYBMUJFWSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccsn2)C1 ZINC001006313157 751231907 /nfs/dbraw/zinc/23/19/07/751231907.db2.gz PXCRAQGFRCTKDP-DOMZBBRYSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccsn2)C1 ZINC001006313157 751231911 /nfs/dbraw/zinc/23/19/11/751231911.db2.gz PXCRAQGFRCTKDP-DOMZBBRYSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2ccoc2)C1 ZINC001006322781 751244836 /nfs/dbraw/zinc/24/48/36/751244836.db2.gz WMUSNCFWABVBNO-PBHICJAKSA-N 1 1 343.427 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2ccoc2)C1 ZINC001006322781 751244838 /nfs/dbraw/zinc/24/48/38/751244838.db2.gz WMUSNCFWABVBNO-PBHICJAKSA-N 1 1 343.427 0.883 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@H]3CCCNC3=O)CC2)c1 ZINC000981923070 751269940 /nfs/dbraw/zinc/26/99/40/751269940.db2.gz HTDOEKSUJMISPS-INIZCTEOSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@H]3CCCNC3=O)CC2)c1 ZINC000981923070 751269946 /nfs/dbraw/zinc/26/99/46/751269946.db2.gz HTDOEKSUJMISPS-INIZCTEOSA-N 1 1 326.400 0.489 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001006368528 751297322 /nfs/dbraw/zinc/29/73/22/751297322.db2.gz HQRBKFLPBQQAJM-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2[C@@H](C)C(=O)N(C)C)CC1 ZINC001028333102 752400877 /nfs/dbraw/zinc/40/08/77/752400877.db2.gz DQXFYOFOOJCEIW-DOTOQJQBSA-N 1 1 348.491 0.389 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000988621221 752400931 /nfs/dbraw/zinc/40/09/31/752400931.db2.gz KEJKLSSOLYYVPB-FZMZJTMJSA-N 1 1 327.392 0.891 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212032159 752430197 /nfs/dbraw/zinc/43/01/97/752430197.db2.gz MZCVQDHRRCUKLO-IJLUTSLNSA-N 1 1 340.342 0.318 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1OC ZINC001212032159 752430201 /nfs/dbraw/zinc/43/02/01/752430201.db2.gz MZCVQDHRRCUKLO-IJLUTSLNSA-N 1 1 340.342 0.318 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H](C)C#N)C2 ZINC001007480990 752432469 /nfs/dbraw/zinc/43/24/69/752432469.db2.gz BCADAOSXILQIFN-IFIJOSMWSA-N 1 1 329.404 0.849 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041565 752433929 /nfs/dbraw/zinc/43/39/29/752433929.db2.gz UOSGRGAVJKAGLY-SUYBPPKGSA-N 1 1 345.399 0.933 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041565 752433935 /nfs/dbraw/zinc/43/39/35/752433935.db2.gz UOSGRGAVJKAGLY-SUYBPPKGSA-N 1 1 345.399 0.933 20 30 ECEDMO COCCN(CCNC(=O)C[N@@H+](C)C(C)C)c1ccc(C#N)nc1 ZINC001126360863 752439237 /nfs/dbraw/zinc/43/92/37/752439237.db2.gz OIQDVRDFYCVQJV-UHFFFAOYSA-N 1 1 333.436 0.862 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001007487431 752440189 /nfs/dbraw/zinc/44/01/89/752440189.db2.gz IFLXSZPPTBOSGC-GOEBONIOSA-N 1 1 346.431 0.893 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001007487431 752440192 /nfs/dbraw/zinc/44/01/92/752440192.db2.gz IFLXSZPPTBOSGC-GOEBONIOSA-N 1 1 346.431 0.893 20 30 ECEDMO COCCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212047625 752445378 /nfs/dbraw/zinc/44/53/78/752445378.db2.gz MXLDSXKPQHTQOV-IAGOWNOFSA-N 1 1 347.415 0.537 20 30 ECEDMO COCCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212047625 752445385 /nfs/dbraw/zinc/44/53/85/752445385.db2.gz MXLDSXKPQHTQOV-IAGOWNOFSA-N 1 1 347.415 0.537 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001059912268 752469584 /nfs/dbraw/zinc/46/95/84/752469584.db2.gz YQHCZFKSYPCHNM-CVEARBPZSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001059912268 752469587 /nfs/dbraw/zinc/46/95/87/752469587.db2.gz YQHCZFKSYPCHNM-CVEARBPZSA-N 1 1 343.431 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nc(C)no2)C1 ZINC001007519320 752476065 /nfs/dbraw/zinc/47/60/65/752476065.db2.gz OEROABABELEZSC-CABCVRRESA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nc(C)no2)C1 ZINC001007519320 752476066 /nfs/dbraw/zinc/47/60/66/752476066.db2.gz OEROABABELEZSC-CABCVRRESA-N 1 1 331.420 0.556 20 30 ECEDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC000982504504 752605743 /nfs/dbraw/zinc/60/57/43/752605743.db2.gz XDCYZVXRNBPFCC-HDICACEKSA-N 1 1 344.390 0.853 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001028429240 752635770 /nfs/dbraw/zinc/63/57/70/752635770.db2.gz JRWGBHVLKRUGDQ-ZFWWWQNUSA-N 1 1 331.420 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccsn2)[C@@H]1C ZINC000988735092 752637726 /nfs/dbraw/zinc/63/77/26/752637726.db2.gz UHRMUNLFQDOEDK-IPYPFGDCSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccsn2)[C@@H]1C ZINC000988735092 752637731 /nfs/dbraw/zinc/63/77/31/752637731.db2.gz UHRMUNLFQDOEDK-IPYPFGDCSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)no2)[C@@H]1C ZINC000988738488 752640947 /nfs/dbraw/zinc/64/09/47/752640947.db2.gz PAACVVKBJNPVMH-ILXRZTDVSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)no2)[C@@H]1C ZINC000988738488 752640951 /nfs/dbraw/zinc/64/09/51/752640951.db2.gz PAACVVKBJNPVMH-ILXRZTDVSA-N 1 1 344.415 0.800 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cc1F ZINC001028446590 752674443 /nfs/dbraw/zinc/67/44/43/752674443.db2.gz AKKSQSSKSKXOPQ-CZUORRHYSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)[nH]1 ZINC001021226627 752675919 /nfs/dbraw/zinc/67/59/19/752675919.db2.gz AZBCEIQMDYXDND-GOOCMWNKSA-N 1 1 339.403 0.903 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001021236217 752691320 /nfs/dbraw/zinc/69/13/20/752691320.db2.gz YMPGSPYAIYEDAD-CWRNSKLLSA-N 1 1 341.415 0.653 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000938036539 752705364 /nfs/dbraw/zinc/70/53/64/752705364.db2.gz NNKKYUVIESAXFT-KWCYVHTRSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)/C=C\C3CC3)[C@H](OC)C2)C1=O ZINC001212086582 752718217 /nfs/dbraw/zinc/71/82/17/752718217.db2.gz CBDUDHFKMRISPR-AEHDXWABSA-N 1 1 333.432 0.555 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)/C=C\C3CC3)[C@H](OC)C2)C1=O ZINC001212086582 752718220 /nfs/dbraw/zinc/71/82/20/752718220.db2.gz CBDUDHFKMRISPR-AEHDXWABSA-N 1 1 333.432 0.555 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)c1 ZINC001028468838 752765497 /nfs/dbraw/zinc/76/54/97/752765497.db2.gz FHDZTUOHBUWOTD-LBPRGKRZSA-N 1 1 343.387 0.087 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028469530 752766312 /nfs/dbraw/zinc/76/63/12/752766312.db2.gz RVQCPRYTDQRPIX-VXGBXAGGSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001007677724 752769721 /nfs/dbraw/zinc/76/97/21/752769721.db2.gz HZBHZYPZHNDHMU-LBPRGKRZSA-N 1 1 325.390 0.145 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001007679018 752772430 /nfs/dbraw/zinc/77/24/30/752772430.db2.gz MEYANCSZLOKONU-LBPRGKRZSA-N 1 1 327.406 0.697 20 30 ECEDMO COCCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C#N)cn1 ZINC001126372890 752794437 /nfs/dbraw/zinc/79/44/37/752794437.db2.gz JWGAOGTTYZAWOJ-HNNXBMFYSA-N 1 1 345.447 0.864 20 30 ECEDMO Cn1cc(CC[N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001028486945 752815318 /nfs/dbraw/zinc/81/53/18/752815318.db2.gz NNSHJUCCCXIHTK-ZDUSSCGKSA-N 1 1 326.404 0.914 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028486197 752822200 /nfs/dbraw/zinc/82/22/00/752822200.db2.gz CGGSXRYHOVUQPR-XJKSGUPXSA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028491886 752836218 /nfs/dbraw/zinc/83/62/18/752836218.db2.gz PQWHZVTVJFVCQX-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000982546643 752859530 /nfs/dbraw/zinc/85/95/30/752859530.db2.gz MWNBIDLPOSUJGD-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cncnc3)C2)C1=O ZINC001028497448 752891652 /nfs/dbraw/zinc/89/16/52/752891652.db2.gz XQJVEZKYMVSFPX-UKRRQHHQSA-N 1 1 329.404 0.315 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001007777102 752923734 /nfs/dbraw/zinc/92/37/34/752923734.db2.gz UDYLNHNQAJIEOO-NSHDSACASA-N 1 1 327.406 0.697 20 30 ECEDMO O=C(NC[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COC(=O)N1 ZINC001028519691 753018368 /nfs/dbraw/zinc/01/83/68/753018368.db2.gz RMEWLYUGRGQTAK-GDBMZVCRSA-N 1 1 345.374 0.724 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001028548530 753109183 /nfs/dbraw/zinc/10/91/83/753109183.db2.gz BTZPYYYQJYWKKU-IMJJTQAJSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001028548530 753109184 /nfs/dbraw/zinc/10/91/84/753109184.db2.gz BTZPYYYQJYWKKU-IMJJTQAJSA-N 1 1 333.436 0.734 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001008022022 753205966 /nfs/dbraw/zinc/20/59/66/753205966.db2.gz BNUOBGUEORMHQQ-ZACQAIPSSA-N 1 1 337.464 0.633 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)CC1 ZINC000938094931 753253769 /nfs/dbraw/zinc/25/37/69/753253769.db2.gz LDOFKWHOQQVSOW-HNNXBMFYSA-N 1 1 343.431 0.394 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001008122778 753340332 /nfs/dbraw/zinc/34/03/32/753340332.db2.gz MRISKHGZGRNRLR-HIFRSBDPSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001008122778 753340335 /nfs/dbraw/zinc/34/03/35/753340335.db2.gz MRISKHGZGRNRLR-HIFRSBDPSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001008161362 753392036 /nfs/dbraw/zinc/39/20/36/753392036.db2.gz BMFDKSUPKLPLAC-OAHLLOKOSA-N 1 1 330.436 0.936 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)C1 ZINC001008170473 753412048 /nfs/dbraw/zinc/41/20/48/753412048.db2.gz KKVMCHOSPHNHHZ-SWLSCSKDSA-N 1 1 343.431 0.805 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)C1 ZINC001008177180 753426196 /nfs/dbraw/zinc/42/61/96/753426196.db2.gz ZEFDGTZXWFCGAU-UKRRQHHQSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000982730473 753431286 /nfs/dbraw/zinc/43/12/86/753431286.db2.gz JAVFLFOIDAVRPQ-CABCVRRESA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000982730473 753431291 /nfs/dbraw/zinc/43/12/91/753431291.db2.gz JAVFLFOIDAVRPQ-CABCVRRESA-N 1 1 343.431 0.394 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001100983443 753452389 /nfs/dbraw/zinc/45/23/89/753452389.db2.gz PEZYCIFVAMHBGH-CQSZACIVSA-N 1 1 330.436 0.939 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000982786279 753565999 /nfs/dbraw/zinc/56/59/99/753565999.db2.gz FOFKOHMKZHYPSU-JKSUJKDBSA-N 1 1 340.427 0.593 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)c1nnn(C)n1 ZINC000989307870 753600299 /nfs/dbraw/zinc/60/02/99/753600299.db2.gz LVNIGJMDTVNNLJ-HZMBPMFUSA-N 1 1 343.366 0.614 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCOC3)[C@@H](O)C2)c1 ZINC001083367386 753697912 /nfs/dbraw/zinc/69/79/12/753697912.db2.gz COSPYRJWZXRSDJ-ZACQAIPSSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCOC3)[C@@H](O)C2)c1 ZINC001083367386 753697913 /nfs/dbraw/zinc/69/79/13/753697913.db2.gz COSPYRJWZXRSDJ-ZACQAIPSSA-N 1 1 329.400 0.646 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001008415317 753722925 /nfs/dbraw/zinc/72/29/25/753722925.db2.gz CKWSOTRQWSRVFN-JSGCOSHPSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001008415317 753722931 /nfs/dbraw/zinc/72/29/31/753722931.db2.gz CKWSOTRQWSRVFN-JSGCOSHPSA-N 1 1 347.419 0.107 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)[C@@H]2C1 ZINC001075939062 753762035 /nfs/dbraw/zinc/76/20/35/753762035.db2.gz WCRGIXJKQVTJFW-OFQRWUPVSA-N 1 1 328.416 0.624 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001028600572 753874373 /nfs/dbraw/zinc/87/43/73/753874373.db2.gz AMQVEPZGUFLSFN-WMZOPIPTSA-N 1 1 343.475 0.764 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001028608895 753911133 /nfs/dbraw/zinc/91/11/33/753911133.db2.gz FBWDSXPDCSOKOB-VXGBXAGGSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001028608895 753911138 /nfs/dbraw/zinc/91/11/38/753911138.db2.gz FBWDSXPDCSOKOB-VXGBXAGGSA-N 1 1 344.253 0.859 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2c[nH]nc2-c2cnn(C)c2)CC1 ZINC000989456844 753966779 /nfs/dbraw/zinc/96/67/79/753966779.db2.gz GEBXMBLTTNCRHL-UHFFFAOYSA-N 1 1 326.404 0.981 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2c[nH]nc2-c2cnn(C)c2)CC1 ZINC000989456844 753966782 /nfs/dbraw/zinc/96/67/82/753966782.db2.gz GEBXMBLTTNCRHL-UHFFFAOYSA-N 1 1 326.404 0.981 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2c[nH]nc2-c2cnn(C)c2)CC1 ZINC000989457568 753975433 /nfs/dbraw/zinc/97/54/33/753975433.db2.gz SKLZHYVPJHIOFW-UHFFFAOYSA-N 1 1 326.404 0.981 20 30 ECEDMO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001075679424 754093439 /nfs/dbraw/zinc/09/34/39/754093439.db2.gz USGJGWAODMSBMY-STQMWFEESA-N 1 1 326.466 0.738 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028639083 754130844 /nfs/dbraw/zinc/13/08/44/754130844.db2.gz RTVMYKHSCUVBRX-NSHDSACASA-N 1 1 325.390 0.002 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC1 ZINC000989574786 754138217 /nfs/dbraw/zinc/13/82/17/754138217.db2.gz UKNWENDTYJPGEP-UHFFFAOYSA-N 1 1 325.372 0.902 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000982923988 754208638 /nfs/dbraw/zinc/20/86/38/754208638.db2.gz SPIVERODXOYALW-JSGCOSHPSA-N 1 1 347.394 0.225 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000982923988 754208640 /nfs/dbraw/zinc/20/86/40/754208640.db2.gz SPIVERODXOYALW-JSGCOSHPSA-N 1 1 347.394 0.225 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028649793 754225854 /nfs/dbraw/zinc/22/58/54/754225854.db2.gz JZUDOPWRSMDNOO-ZDUSSCGKSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001028649793 754225857 /nfs/dbraw/zinc/22/58/57/754225857.db2.gz JZUDOPWRSMDNOO-ZDUSSCGKSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001028649793 754225860 /nfs/dbraw/zinc/22/58/60/754225860.db2.gz JZUDOPWRSMDNOO-ZDUSSCGKSA-N 1 1 340.387 0.937 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001028654958 754302759 /nfs/dbraw/zinc/30/27/59/754302759.db2.gz BDJJKXFFGCHFHW-OAHLLOKOSA-N 1 1 331.416 0.570 20 30 ECEDMO C=C(C)C[N@@H+]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000989739343 754390251 /nfs/dbraw/zinc/39/02/51/754390251.db2.gz SOPRLVWYFACWJR-UHFFFAOYSA-N 1 1 334.424 0.090 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]CCn3cncn3)C[C@@H]2C)CC1 ZINC000989829133 754498758 /nfs/dbraw/zinc/49/87/58/754498758.db2.gz OJKDCYYTDYYSJT-RDJZCZTQSA-N 1 1 344.463 0.202 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNc1nc(C#N)c(Cl)s1 ZINC001105869624 762306114 /nfs/dbraw/zinc/30/61/14/762306114.db2.gz XKHNCCNIPJQELV-SECBINFHSA-N 1 1 345.856 0.897 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)[C@@H]3C[C@H](C(=O)OC)CCN3C2=O)C1 ZINC000925325454 754509577 /nfs/dbraw/zinc/50/95/77/754509577.db2.gz LMBISSFBSZBBMM-RDBSUJKOSA-N 1 1 333.388 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)[C@@H]3C[C@H](C(=O)OC)CCN3C2=O)C1 ZINC000925325454 754509585 /nfs/dbraw/zinc/50/95/85/754509585.db2.gz LMBISSFBSZBBMM-RDBSUJKOSA-N 1 1 333.388 0.300 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN(CCOC)c1cnc(C#N)cn1 ZINC001126403712 754523407 /nfs/dbraw/zinc/52/34/07/754523407.db2.gz PNXMWAGCEVVOPU-UHFFFAOYSA-N 1 1 334.424 0.259 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001009124889 754556491 /nfs/dbraw/zinc/55/64/91/754556491.db2.gz SSIOTGFMLGYHPZ-HNNXBMFYSA-N 1 1 347.463 0.928 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000983085324 754586513 /nfs/dbraw/zinc/58/65/13/754586513.db2.gz MRQMXGKORLAFJF-YESZJQIVSA-N 1 1 346.475 0.143 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4ccn[nH]4)CCC[C@@H]23)C1=O ZINC000989969039 754602673 /nfs/dbraw/zinc/60/26/73/754602673.db2.gz GBGROIZWYBPWQP-DAYGRLMNSA-N 1 1 343.431 0.923 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001105872890 762317735 /nfs/dbraw/zinc/31/77/35/762317735.db2.gz DQPSJVZVCFOTQZ-KGLIPLIRSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC001078252363 782562539 /nfs/dbraw/zinc/56/25/39/782562539.db2.gz CWVBXAWDNSJJSH-IAGOWNOFSA-N 1 1 329.400 0.468 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cncn3C)C2)C1=O ZINC001009207291 754654664 /nfs/dbraw/zinc/65/46/64/754654664.db2.gz ILQHNYDEISSGKG-GDBMZVCRSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cncn3C)C2)C1=O ZINC001009207291 754654670 /nfs/dbraw/zinc/65/46/70/754654670.db2.gz ILQHNYDEISSGKG-GDBMZVCRSA-N 1 1 345.447 0.330 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@H]1C ZINC001088699777 754673930 /nfs/dbraw/zinc/67/39/30/754673930.db2.gz DENKJHCGIGLCRU-ZBFHGGJFSA-N 1 1 331.416 0.711 20 30 ECEDMO CCn1cc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)nn1 ZINC001051554440 762328958 /nfs/dbraw/zinc/32/89/58/762328958.db2.gz FWMJCNWQIJERKV-AWEZNQCLSA-N 1 1 343.391 0.129 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001028707440 754768727 /nfs/dbraw/zinc/76/87/27/754768727.db2.gz PUMKJMKWJHNXQV-YPMHNXCESA-N 1 1 337.811 0.556 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001028707440 754768729 /nfs/dbraw/zinc/76/87/29/754768729.db2.gz PUMKJMKWJHNXQV-YPMHNXCESA-N 1 1 337.811 0.556 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001028712015 754793682 /nfs/dbraw/zinc/79/36/82/754793682.db2.gz JFJRKWLVVOYOII-ZWKOTPCHSA-N 1 1 333.476 0.949 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990252887 754879820 /nfs/dbraw/zinc/87/98/20/754879820.db2.gz RONBAKZQMCBDNX-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001028751798 754973950 /nfs/dbraw/zinc/97/39/50/754973950.db2.gz BFMIYLINDSVLBL-AALSBFMBSA-N 1 1 333.432 0.104 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059114361 755159950 /nfs/dbraw/zinc/15/99/50/755159950.db2.gz PWRWUOKWUFKNBQ-LSDHHAIUSA-N 1 1 342.447 0.903 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001028805230 755183188 /nfs/dbraw/zinc/18/31/88/755183188.db2.gz KTUBYTWLRZPLGY-YUELXQCFSA-N 1 1 344.390 0.757 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001060038014 755218093 /nfs/dbraw/zinc/21/80/93/755218093.db2.gz RHBRXXZWVZYSPP-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001083470591 755312798 /nfs/dbraw/zinc/31/27/98/755312798.db2.gz BAYXPJRFDBOFEF-NCOADZHNSA-N 1 1 338.448 0.698 20 30 ECEDMO COCCN(CCNC(=O)Cn1c[nH+]cc1C)c1ncccc1C#N ZINC001126439862 755323718 /nfs/dbraw/zinc/32/37/18/755323718.db2.gz ANGRWZSVUWSSEB-UHFFFAOYSA-N 1 1 342.403 0.727 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001098653827 755386733 /nfs/dbraw/zinc/38/67/33/755386733.db2.gz WNKSUKBXVVJRCO-CQSZACIVSA-N 1 1 325.376 0.841 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000983370742 755442950 /nfs/dbraw/zinc/44/29/50/755442950.db2.gz SNWQYBNZRNXUIQ-KMFMINBZSA-N 1 1 346.431 0.898 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cn(CCOC)nn3)CCC[C@@H]12 ZINC000990588647 755455854 /nfs/dbraw/zinc/45/58/54/755455854.db2.gz LZTCARDYLVXRSN-NVXWUHKLSA-N 1 1 331.420 0.675 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH2+]Cc1coc(S(=O)(=O)N(C)C)c1 ZINC001126811297 755457319 /nfs/dbraw/zinc/45/73/19/755457319.db2.gz QVLHSULYYLVJIE-UHFFFAOYSA-N 1 1 341.433 0.395 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001028920456 755479330 /nfs/dbraw/zinc/47/93/30/755479330.db2.gz XNGSNQIVTHBZRI-CYBMUJFWSA-N 1 1 326.404 0.885 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccc(OC)nn43)[C@@H]2C1 ZINC001075963824 755487906 /nfs/dbraw/zinc/48/79/06/755487906.db2.gz YFXWAVAHAFENBT-DZGCQCFKSA-N 1 1 339.399 0.908 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)CCC[C@@H]12 ZINC000990667140 755589295 /nfs/dbraw/zinc/58/92/95/755589295.db2.gz ZEEDUYCNWWQLCW-JCKWVBRZSA-N 1 1 341.415 0.509 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001083482929 755640330 /nfs/dbraw/zinc/64/03/30/755640330.db2.gz AKVPXWZFBCXMSN-KFWWJZLASA-N 1 1 337.464 0.761 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CC(C)(C)C3=O)CCC[C@@H]12 ZINC000990711205 755704616 /nfs/dbraw/zinc/70/46/16/755704616.db2.gz LZFXZTPYVQSAFR-KUHUBIRLSA-N 1 1 345.443 0.908 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088795391 755718335 /nfs/dbraw/zinc/71/83/35/755718335.db2.gz AWWOOXKGPUCPSB-UHOFOFEASA-N 1 1 341.415 0.661 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@H+]1Cc1ccccc1C#N ZINC001088795391 755718339 /nfs/dbraw/zinc/71/83/39/755718339.db2.gz AWWOOXKGPUCPSB-UHOFOFEASA-N 1 1 341.415 0.661 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)c1 ZINC000990720623 755751952 /nfs/dbraw/zinc/75/19/52/755751952.db2.gz BTCJSRHOVZOMOD-HOCLYGCPSA-N 1 1 341.415 0.844 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)[C@@H]2C1 ZINC001076001758 755770497 /nfs/dbraw/zinc/77/04/97/755770497.db2.gz CYGSMWNRYJIASE-GOEBONIOSA-N 1 1 330.432 0.541 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)[C@@H]2C1 ZINC001076001758 755770499 /nfs/dbraw/zinc/77/04/99/755770499.db2.gz CYGSMWNRYJIASE-GOEBONIOSA-N 1 1 330.432 0.541 20 30 ECEDMO CC#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CNC(C)=O)CC1 ZINC001105672949 755790573 /nfs/dbraw/zinc/79/05/73/755790573.db2.gz FEHLVZVOQDFLQP-HDICACEKSA-N 1 1 346.475 0.285 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CC(=O)NCC)CC1 ZINC001105678417 755918741 /nfs/dbraw/zinc/91/87/41/755918741.db2.gz IAZFTRSWDWTYMS-CALCHBBNSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1O ZINC001083535877 755976452 /nfs/dbraw/zinc/97/64/52/755976452.db2.gz RNGZEAZTAPXVLQ-PMPSAXMXSA-N 1 1 333.457 0.507 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1O ZINC001083535877 755976455 /nfs/dbraw/zinc/97/64/55/755976455.db2.gz RNGZEAZTAPXVLQ-PMPSAXMXSA-N 1 1 333.457 0.507 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@@H](O)C1 ZINC001083538255 755987225 /nfs/dbraw/zinc/98/72/25/755987225.db2.gz PMTJJEZDPKCPFC-APIJFGDWSA-N 1 1 334.420 0.235 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@@H](O)C1 ZINC001083538255 755987229 /nfs/dbraw/zinc/98/72/29/755987229.db2.gz PMTJJEZDPKCPFC-APIJFGDWSA-N 1 1 334.420 0.235 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001010321777 755994281 /nfs/dbraw/zinc/99/42/81/755994281.db2.gz COFRIYDEYAICNS-DZGCQCFKSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001010321777 755994284 /nfs/dbraw/zinc/99/42/84/755994284.db2.gz COFRIYDEYAICNS-DZGCQCFKSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(OC)no3)C2)nn1 ZINC001098661437 756050277 /nfs/dbraw/zinc/05/02/77/756050277.db2.gz MJIOWYJFNHCCAX-GFCCVEGCSA-N 1 1 332.364 0.638 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001010453574 756147473 /nfs/dbraw/zinc/14/74/73/756147473.db2.gz DJZSUNQGTWSLMQ-GXTWGEPZSA-N 1 1 330.388 0.378 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001010453574 756147477 /nfs/dbraw/zinc/14/74/77/756147477.db2.gz DJZSUNQGTWSLMQ-GXTWGEPZSA-N 1 1 330.388 0.378 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c1 ZINC001010467896 756160021 /nfs/dbraw/zinc/16/00/21/756160021.db2.gz DWKWFHJDVOZGCB-JSGCOSHPSA-N 1 1 329.404 0.607 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001076183123 756181182 /nfs/dbraw/zinc/18/11/82/756181182.db2.gz LXZRRNLBVMOCCN-BBRMVZONSA-N 1 1 341.415 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001076183123 756181184 /nfs/dbraw/zinc/18/11/84/756181184.db2.gz LXZRRNLBVMOCCN-BBRMVZONSA-N 1 1 341.415 0.609 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cncc(F)c3)C2)C1=O ZINC001010512080 756196721 /nfs/dbraw/zinc/19/67/21/756196721.db2.gz KWRKHYVBTHSRDV-LSDHHAIUSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cncc(F)c3)C2)C1=O ZINC001010512080 756196724 /nfs/dbraw/zinc/19/67/24/756196724.db2.gz KWRKHYVBTHSRDV-LSDHHAIUSA-N 1 1 332.379 0.812 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)s1 ZINC001076196337 756202560 /nfs/dbraw/zinc/20/25/60/756202560.db2.gz BGPRFVPQRJWRHY-LEWSCRJBSA-N 1 1 345.428 0.334 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)s1 ZINC001076196337 756202565 /nfs/dbraw/zinc/20/25/65/756202565.db2.gz BGPRFVPQRJWRHY-LEWSCRJBSA-N 1 1 345.428 0.334 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076218103 756221503 /nfs/dbraw/zinc/22/15/03/756221503.db2.gz WBSHMWQJJONGOE-WFASDCNBSA-N 1 1 347.419 0.232 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076218103 756221508 /nfs/dbraw/zinc/22/15/08/756221508.db2.gz WBSHMWQJJONGOE-WFASDCNBSA-N 1 1 347.419 0.232 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1nnnn1Cc1ccccc1 ZINC001126921343 756267898 /nfs/dbraw/zinc/26/78/98/756267898.db2.gz KPIDPQONIPGGFE-UHFFFAOYSA-N 1 1 340.431 0.977 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001040352482 756362730 /nfs/dbraw/zinc/36/27/30/756362730.db2.gz WABAKETXHMLQOT-QAPCUYQASA-N 1 1 335.448 0.067 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010688795 756400012 /nfs/dbraw/zinc/40/00/12/756400012.db2.gz HONFROWBCIFWCH-RDJZCZTQSA-N 1 1 346.406 0.718 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010688795 756400015 /nfs/dbraw/zinc/40/00/15/756400015.db2.gz HONFROWBCIFWCH-RDJZCZTQSA-N 1 1 346.406 0.718 20 30 ECEDMO CC(C)Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051612573 762469153 /nfs/dbraw/zinc/46/91/53/762469153.db2.gz RVUQEIWDNVGXFI-MRXNPFEDSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 ZINC001076429437 756498605 /nfs/dbraw/zinc/49/86/05/756498605.db2.gz QDPHMOIUNOEUCQ-QWHCGFSZSA-N 1 1 334.420 0.426 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2n[nH]c(C)c2C)CC1 ZINC001010784078 756516139 /nfs/dbraw/zinc/51/61/39/756516139.db2.gz AQHAJDRSJLAPNQ-HNNXBMFYSA-N 1 1 343.431 0.409 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2n[nH]c(C)c2C)CC1 ZINC001010784078 756516142 /nfs/dbraw/zinc/51/61/42/756516142.db2.gz AQHAJDRSJLAPNQ-HNNXBMFYSA-N 1 1 343.431 0.409 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)cn1 ZINC001076477317 756563893 /nfs/dbraw/zinc/56/38/93/756563893.db2.gz ZMDHKNVSDOYCQU-GOEBONIOSA-N 1 1 326.400 0.297 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)cn1 ZINC001076477317 756563896 /nfs/dbraw/zinc/56/38/96/756563896.db2.gz ZMDHKNVSDOYCQU-GOEBONIOSA-N 1 1 326.400 0.297 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001076506595 756577099 /nfs/dbraw/zinc/57/70/99/756577099.db2.gz ZNYCOFUJSNVROV-LSDHHAIUSA-N 1 1 346.431 0.811 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001076500662 756584289 /nfs/dbraw/zinc/58/42/89/756584289.db2.gz JZPGGJUASRXSHD-RRQGHBQHSA-N 1 1 325.412 0.617 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001076500662 756584291 /nfs/dbraw/zinc/58/42/91/756584291.db2.gz JZPGGJUASRXSHD-RRQGHBQHSA-N 1 1 325.412 0.617 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)[nH]1 ZINC000990889107 756664576 /nfs/dbraw/zinc/66/45/76/756664576.db2.gz YRVLTBIIOMWUST-SWLSCSKDSA-N 1 1 341.415 0.701 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010925501 756675001 /nfs/dbraw/zinc/67/50/01/756675001.db2.gz RKVYMBGSLQPONL-GXTWGEPZSA-N 1 1 329.404 0.368 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001076575904 756676278 /nfs/dbraw/zinc/67/62/78/756676278.db2.gz NCKHBUFBIBNLIS-QWHCGFSZSA-N 1 1 334.424 0.040 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990891537 756707973 /nfs/dbraw/zinc/70/79/73/756707973.db2.gz AOTONQFNMQWOOP-UHFFFAOYSA-N 1 1 340.387 0.847 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4ccnc4)[C@@H]3C2)C1=O ZINC001076633265 756762883 /nfs/dbraw/zinc/76/28/83/756762883.db2.gz GGJNKJVYQXCPEK-HRCADAONSA-N 1 1 343.431 0.203 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2cnc(C#N)cn2)C1 ZINC001060129256 756805070 /nfs/dbraw/zinc/80/50/70/756805070.db2.gz LKHUQGCIPZGIJA-GJZGRUSLSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2cnc(C#N)cn2)C1 ZINC001060129256 756805075 /nfs/dbraw/zinc/80/50/75/756805075.db2.gz LKHUQGCIPZGIJA-GJZGRUSLSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000990933337 756905628 /nfs/dbraw/zinc/90/56/28/756905628.db2.gz WRUQLCWESSAQKE-LSDHHAIUSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CCC1 ZINC001076770141 757032925 /nfs/dbraw/zinc/03/29/25/757032925.db2.gz IIDFXPQCRIMMFC-JKSUJKDBSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCC1 ZINC001076770141 757032936 /nfs/dbraw/zinc/03/29/36/757032936.db2.gz IIDFXPQCRIMMFC-JKSUJKDBSA-N 1 1 349.475 0.912 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001011161908 757077327 /nfs/dbraw/zinc/07/73/27/757077327.db2.gz TWLASADVPPIQIH-KRWDZBQOSA-N 1 1 325.412 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)cn1 ZINC001011163245 757084166 /nfs/dbraw/zinc/08/41/66/757084166.db2.gz CIVUVGZZVWALQB-UHFFFAOYSA-N 1 1 337.383 0.552 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]2C1 ZINC001048822400 757109077 /nfs/dbraw/zinc/10/90/77/757109077.db2.gz GKCQRPRWDODDRS-OKILXGFUSA-N 1 1 331.416 0.185 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@H]2C1 ZINC001048861392 757210738 /nfs/dbraw/zinc/21/07/38/757210738.db2.gz LKOUASJHOCYPJT-BBWFWOEESA-N 1 1 331.464 0.780 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001011239343 757266792 /nfs/dbraw/zinc/26/67/92/757266792.db2.gz KNXAZVZBZZBQSQ-CABCVRRESA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCCN1CC(n2cc(CNC(=O)C[N@H+](C)C3CCC3)nn2)C1 ZINC001107179605 757295277 /nfs/dbraw/zinc/29/52/77/757295277.db2.gz NSFCGSVQFWWSHV-UHFFFAOYSA-N 1 1 332.452 0.811 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]2C1 ZINC001048893253 757316658 /nfs/dbraw/zinc/31/66/58/757316658.db2.gz QYWZSAFVEXDSTC-GASCZTMLSA-N 1 1 328.416 0.689 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C[C@H]2C1 ZINC001048898680 757337011 /nfs/dbraw/zinc/33/70/11/757337011.db2.gz IULMOQYBIVIRSI-KFWWJZLASA-N 1 1 345.447 0.903 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ncn(C)n3)C2)nn1 ZINC001098667087 757357364 /nfs/dbraw/zinc/35/73/64/757357364.db2.gz QGOFZAUETVFPHO-CYBMUJFWSA-N 1 1 330.396 0.160 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3nnc(C)o3)C2)nn1 ZINC001098667113 757366787 /nfs/dbraw/zinc/36/67/87/757366787.db2.gz QUFJTMUPBXTONU-CYBMUJFWSA-N 1 1 331.380 0.261 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@H]2C1 ZINC001048912728 757380992 /nfs/dbraw/zinc/38/09/92/757380992.db2.gz PCFSDCVMUXMXET-BETUJISGSA-N 1 1 328.376 0.509 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3nccn3C)nn2)C1 ZINC001107186831 757387972 /nfs/dbraw/zinc/38/79/72/757387972.db2.gz DEICGLSREDWVFS-UHFFFAOYSA-N 1 1 343.435 0.693 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC000996332000 757395998 /nfs/dbraw/zinc/39/59/98/757395998.db2.gz VTNBAUVCWBXABS-FRRDWIJNSA-N 1 1 334.424 0.128 20 30 ECEDMO CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001076855680 757398307 /nfs/dbraw/zinc/39/83/07/757398307.db2.gz HQWYSRBIZMYPOC-HZPDHXFCSA-N 1 1 342.403 0.120 20 30 ECEDMO CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001076855680 757398316 /nfs/dbraw/zinc/39/83/16/757398316.db2.gz HQWYSRBIZMYPOC-HZPDHXFCSA-N 1 1 342.403 0.120 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]2C1 ZINC001048922623 757422119 /nfs/dbraw/zinc/42/21/19/757422119.db2.gz ZJSCZJBYMBROEV-IYBDPMFKSA-N 1 1 344.459 0.788 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]2C1 ZINC001048922623 757422123 /nfs/dbraw/zinc/42/21/23/757422123.db2.gz ZJSCZJBYMBROEV-IYBDPMFKSA-N 1 1 344.459 0.788 20 30 ECEDMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c1 ZINC001076879374 757433923 /nfs/dbraw/zinc/43/39/23/757433923.db2.gz QCGNYJBKYUJODI-GDBMZVCRSA-N 1 1 325.372 0.267 20 30 ECEDMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c1 ZINC001076879374 757433938 /nfs/dbraw/zinc/43/39/38/757433938.db2.gz QCGNYJBKYUJODI-GDBMZVCRSA-N 1 1 325.372 0.267 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnnc2C)CC1 ZINC001011314278 757488291 /nfs/dbraw/zinc/48/82/91/757488291.db2.gz ROLKCPDWPOOJGP-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnnc2C)CC1 ZINC001011314278 757488294 /nfs/dbraw/zinc/48/82/94/757488294.db2.gz ROLKCPDWPOOJGP-INIZCTEOSA-N 1 1 341.415 0.167 20 30 ECEDMO C#CCC1(C(=O)N(C)[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2O)CCC1 ZINC001048953541 757501704 /nfs/dbraw/zinc/50/17/04/757501704.db2.gz IHQQZYWINVALHF-HOTGVXAUSA-N 1 1 349.475 0.552 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nc(C)nn4C3)C[C@H]2C1 ZINC001048955266 757507194 /nfs/dbraw/zinc/50/71/94/757507194.db2.gz XYUDYIGTAOZJDD-HRCADAONSA-N 1 1 327.432 0.562 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@H]2C1 ZINC001048956955 757510690 /nfs/dbraw/zinc/51/06/90/757510690.db2.gz DJFKZRZPJUJAIF-OKILXGFUSA-N 1 1 339.403 0.637 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@H]2C1 ZINC001048960630 757521634 /nfs/dbraw/zinc/52/16/34/757521634.db2.gz GQPFKUREUMBAOW-CEXWTWQISA-N 1 1 345.487 0.901 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nonc3C)C(C)(C)C2)nn1 ZINC000996391761 757526635 /nfs/dbraw/zinc/52/66/35/757526635.db2.gz ZKDCXBQIGYRIBI-CQSZACIVSA-N 1 1 345.407 0.796 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CCC(=O)NC3)nn2)C1 ZINC001107197738 757557126 /nfs/dbraw/zinc/55/71/26/757557126.db2.gz HRTKPFQLAFMSPA-KRWDZBQOSA-N 1 1 346.435 0.243 20 30 ECEDMO CC#CCCCC(=O)NCc1cn(C2C[NH+]([C@H](C)COC)C2)nn1 ZINC001107197891 757558183 /nfs/dbraw/zinc/55/81/83/757558183.db2.gz LOLSHTVBXMEZBY-CQSZACIVSA-N 1 1 333.436 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048977116 757579687 /nfs/dbraw/zinc/57/96/87/757579687.db2.gz MNKCAXMBZNPASQ-KBPBESRZSA-N 1 1 325.453 0.569 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@@H]2C1 ZINC001048978234 757586732 /nfs/dbraw/zinc/58/67/32/757586732.db2.gz AABZDVQCIWQGBC-HRCADAONSA-N 1 1 349.475 0.836 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)cc1 ZINC001076920753 757600021 /nfs/dbraw/zinc/60/00/21/757600021.db2.gz WZNNUBPRHSOATG-IAGOWNOFSA-N 1 1 327.384 0.566 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)cc1 ZINC001076920753 757600026 /nfs/dbraw/zinc/60/00/26/757600026.db2.gz WZNNUBPRHSOATG-IAGOWNOFSA-N 1 1 327.384 0.566 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C[C@H]2C1 ZINC001049006904 757674090 /nfs/dbraw/zinc/67/40/90/757674090.db2.gz LWEGOVJTVBSGNK-TXEJJXNPSA-N 1 1 325.372 0.691 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021617577 757690513 /nfs/dbraw/zinc/69/05/13/757690513.db2.gz VYYWCSQLZWQUCD-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001049012570 757691394 /nfs/dbraw/zinc/69/13/94/757691394.db2.gz DQYPDALJADUMBS-CALCHBBNSA-N 1 1 348.406 0.825 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C(N)=O)cn2C)C1 ZINC001021623737 757700886 /nfs/dbraw/zinc/70/08/86/757700886.db2.gz PRTFVEVWDBMXLR-DZGCQCFKSA-N 1 1 328.416 0.684 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021624385 757703339 /nfs/dbraw/zinc/70/33/39/757703339.db2.gz VSTXNXZGRMOAPP-HUUCEWRRSA-N 1 1 344.415 0.285 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)[C@@H]3CCC(=O)N3)nn2)C1 ZINC001107212107 757743308 /nfs/dbraw/zinc/74/33/08/757743308.db2.gz OFHZSAQCWMRNOS-WFASDCNBSA-N 1 1 346.435 0.242 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001021682856 757776978 /nfs/dbraw/zinc/77/69/78/757776978.db2.gz UVEBOSRGNSPXIF-UKRRQHHQSA-N 1 1 346.431 0.197 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cnccc2=O)C1 ZINC001021702835 757825230 /nfs/dbraw/zinc/82/52/30/757825230.db2.gz JRMDYMRNFSHRBE-JKSUJKDBSA-N 1 1 328.416 0.580 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001021711893 757847324 /nfs/dbraw/zinc/84/73/24/757847324.db2.gz FOJBNGYYNSWLJQ-JKSUJKDBSA-N 1 1 326.400 0.664 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021722834 757861954 /nfs/dbraw/zinc/86/19/54/757861954.db2.gz AKSOJJRZIYKECS-JKSUJKDBSA-N 1 1 345.447 0.226 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021730699 757874540 /nfs/dbraw/zinc/87/45/40/757874540.db2.gz PQZJDHNNVYAMKF-LSDHHAIUSA-N 1 1 346.431 0.217 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001021731677 757875895 /nfs/dbraw/zinc/87/58/95/757875895.db2.gz XHYGKIXNOMEWLX-KBPBESRZSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001021741804 757891146 /nfs/dbraw/zinc/89/11/46/757891146.db2.gz HSCKISXLOBXZDB-ZFWWWQNUSA-N 1 1 346.435 0.266 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3cnn(C)n3)C(C)(C)C2)nc1 ZINC000996528204 757896975 /nfs/dbraw/zinc/89/69/75/757896975.db2.gz MUACYKRWJWRTBZ-INIZCTEOSA-N 1 1 338.415 0.832 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)CC[N@H+](C)CCC)nn2)C1 ZINC001107230385 757938857 /nfs/dbraw/zinc/93/88/57/757938857.db2.gz BQWHVABEIBVQHY-UHFFFAOYSA-N 1 1 332.452 0.506 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H](C)OC)C[C@@H]3C2)nn1 ZINC001049109768 757983130 /nfs/dbraw/zinc/98/31/30/757983130.db2.gz LHDFLGRPWMIGFV-KFWWJZLASA-N 1 1 333.436 0.893 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@H]2C1 ZINC001049113567 757997587 /nfs/dbraw/zinc/99/75/87/757997587.db2.gz PAMZQGOMTSHCCX-TXEJJXNPSA-N 1 1 342.428 0.955 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)COC[C@@H]3CCCO3)nn2)C1 ZINC001107242772 758001044 /nfs/dbraw/zinc/00/10/44/758001044.db2.gz XYSGTNDGEOBICD-INIZCTEOSA-N 1 1 349.435 0.523 20 30 ECEDMO C=CCCCN1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001107235021 758019927 /nfs/dbraw/zinc/01/99/27/758019927.db2.gz XJLLBBVDHZQXMN-CQSZACIVSA-N 1 1 332.452 0.669 20 30 ECEDMO C=CCCCN1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107235021 758019939 /nfs/dbraw/zinc/01/99/39/758019939.db2.gz XJLLBBVDHZQXMN-CQSZACIVSA-N 1 1 332.452 0.669 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 ZINC001049121732 758028759 /nfs/dbraw/zinc/02/87/59/758028759.db2.gz RSKIICMPXHUDGX-AOOOYVTPSA-N 1 1 327.182 0.982 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 ZINC001049121732 758028771 /nfs/dbraw/zinc/02/87/71/758028771.db2.gz RSKIICMPXHUDGX-AOOOYVTPSA-N 1 1 327.182 0.982 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccncc3)CCC[C@@H]12 ZINC001107252314 758045672 /nfs/dbraw/zinc/04/56/72/758045672.db2.gz HHNPOHXYJMNKGX-VQIMIIECSA-N 1 1 340.427 0.805 20 30 ECEDMO N#Cc1cccnc1NC/C=C\CNC(=O)CC[NH+]1CCOCC1 ZINC001107253930 758052701 /nfs/dbraw/zinc/05/27/01/758052701.db2.gz LHKSRYDILVIEQA-UPHRSURJSA-N 1 1 329.404 0.760 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4oncc4C)C[C@H]3C2)C1=O ZINC001049151649 758138299 /nfs/dbraw/zinc/13/82/99/758138299.db2.gz IIQAORXEMDAPJO-ZNMIVQPWSA-N 1 1 344.415 0.774 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001051654474 762602319 /nfs/dbraw/zinc/60/23/19/762602319.db2.gz NVBMNMONCHXIRO-HNNXBMFYSA-N 1 1 344.419 0.433 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@H]2C1 ZINC001049160591 758174738 /nfs/dbraw/zinc/17/47/38/758174738.db2.gz CPCDXJMIQDQHOJ-OKILXGFUSA-N 1 1 327.384 0.497 20 30 ECEDMO COCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107300171 758201156 /nfs/dbraw/zinc/20/11/56/758201156.db2.gz PBOZGDZDMNAZRT-RHSMWYFYSA-N 1 1 336.436 0.414 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cncs3)CCC[C@@H]12 ZINC001107301472 758203417 /nfs/dbraw/zinc/20/34/17/758203417.db2.gz CVCHNSGXSZZXKH-CZUORRHYSA-N 1 1 347.444 0.757 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccnn3C)CCC[C@@H]12 ZINC001107309568 758235187 /nfs/dbraw/zinc/23/51/87/758235187.db2.gz LXYBTZJWMIYSCY-CRAIPNDOSA-N 1 1 345.447 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C)n(C)n1 ZINC001077123811 758248870 /nfs/dbraw/zinc/24/88/70/758248870.db2.gz DJWFUGAMGUEFMQ-BBRMVZONSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C)n(C)n1 ZINC001077123811 758248881 /nfs/dbraw/zinc/24/88/81/758248881.db2.gz DJWFUGAMGUEFMQ-BBRMVZONSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cn(CC)cn1 ZINC001077124906 758288668 /nfs/dbraw/zinc/28/86/68/758288668.db2.gz IQRMSTATDOFJCG-HOCLYGCPSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cn(CC)cn1 ZINC001077124906 758288679 /nfs/dbraw/zinc/28/86/79/758288679.db2.gz IQRMSTATDOFJCG-HOCLYGCPSA-N 1 1 345.447 0.625 20 30 ECEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1C(=O)CNC1=O)CC2 ZINC001107327090 758294171 /nfs/dbraw/zinc/29/41/71/758294171.db2.gz QXSIPTVPJBZJQW-RDTXWAMCSA-N 1 1 348.447 0.865 20 30 ECEDMO COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC001107349639 758365510 /nfs/dbraw/zinc/36/55/10/758365510.db2.gz KIIBSOPMEDPFMK-YXJHDRRASA-N 1 1 346.431 0.868 20 30 ECEDMO Cn1ccc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)c1 ZINC001107360934 758370042 /nfs/dbraw/zinc/37/00/42/758370042.db2.gz BLSLCSALFHCAJG-CRAIPNDOSA-N 1 1 343.431 0.639 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001077165093 758395599 /nfs/dbraw/zinc/39/55/99/758395599.db2.gz GMUKPMLOJCTGOH-MDZRGWNJSA-N 1 1 349.475 0.810 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107377630 758405656 /nfs/dbraw/zinc/40/56/56/758405656.db2.gz WNAUYSLHTGHDAT-FHLIZLRMSA-N 1 1 348.447 0.314 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(C)C)CC2 ZINC001107378557 758407181 /nfs/dbraw/zinc/40/71/81/758407181.db2.gz AGEGUPULRQJFBK-ZTFGCOKTSA-N 1 1 337.464 0.763 20 30 ECEDMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077177610 758414489 /nfs/dbraw/zinc/41/44/89/758414489.db2.gz XKZSRGAJUCOZAI-HZPDHXFCSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077177610 758414495 /nfs/dbraw/zinc/41/44/95/758414495.db2.gz XKZSRGAJUCOZAI-HZPDHXFCSA-N 1 1 339.399 0.575 20 30 ECEDMO N#Cc1nccc(NC/C=C\CNC(=O)[C@H]2CCCc3[nH+]ccn32)n1 ZINC001107380685 758423904 /nfs/dbraw/zinc/42/39/04/758423904.db2.gz ZLANSRFJHXKOBE-UIIMQBOASA-N 1 1 337.387 0.629 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3COC(=O)N3)CCC[C@@H]12 ZINC001107387557 758438244 /nfs/dbraw/zinc/43/82/44/758438244.db2.gz VZCYMAZCCKHPKR-JJRVBVJISA-N 1 1 335.404 0.105 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nc(C3CC3)no2)C1 ZINC001022220778 758441568 /nfs/dbraw/zinc/44/15/68/758441568.db2.gz OWWDSKBSEZIIQF-ZNMIVQPWSA-N 1 1 343.431 0.781 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nc(C3CC3)no2)C1 ZINC001022220778 758441573 /nfs/dbraw/zinc/44/15/73/758441573.db2.gz OWWDSKBSEZIIQF-ZNMIVQPWSA-N 1 1 343.431 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nn(C)cc2Cl)C1 ZINC001022221119 758442885 /nfs/dbraw/zinc/44/28/85/758442885.db2.gz YKKKGMKVCLSZJY-ZENOOKHLSA-N 1 1 349.866 0.908 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nn(C)cc2Cl)C1 ZINC001022221119 758442889 /nfs/dbraw/zinc/44/28/89/758442889.db2.gz YKKKGMKVCLSZJY-ZENOOKHLSA-N 1 1 349.866 0.908 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001049276918 758468721 /nfs/dbraw/zinc/46/87/21/758468721.db2.gz YPLDLCWJSPGNFV-JYJNAYRXSA-N 1 1 348.447 0.824 20 30 ECEDMO N#Cc1ccccc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127777661 758600293 /nfs/dbraw/zinc/60/02/93/758600293.db2.gz APUMDVXBOIBLDX-IAGOWNOFSA-N 1 1 328.416 0.627 20 30 ECEDMO N#Cc1ccccc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127777661 758600299 /nfs/dbraw/zinc/60/02/99/758600299.db2.gz APUMDVXBOIBLDX-IAGOWNOFSA-N 1 1 328.416 0.627 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001011794479 758600635 /nfs/dbraw/zinc/60/06/35/758600635.db2.gz QPGSOOAWCLDWQR-HVEKOLDVSA-N 1 1 347.459 0.733 20 30 ECEDMO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)cc1C#N ZINC001022351943 758609614 /nfs/dbraw/zinc/60/96/14/758609614.db2.gz IKFKDYBRVGZXTG-BETUJISGSA-N 1 1 326.360 0.736 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)CC2(CCOCC2)C1 ZINC001099565157 758618868 /nfs/dbraw/zinc/61/88/68/758618868.db2.gz BEQWPXKDADZFBQ-AWEZNQCLSA-N 1 1 337.420 0.353 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001077258268 758633946 /nfs/dbraw/zinc/63/39/46/758633946.db2.gz ZNZJHTUAHHCPFZ-HZPDHXFCSA-N 1 1 325.372 0.270 20 30 ECEDMO C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001049402081 758636966 /nfs/dbraw/zinc/63/69/66/758636966.db2.gz OHOUWIWGIMFKCA-IHRRRGAJSA-N 1 1 338.452 0.154 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001049402750 758638052 /nfs/dbraw/zinc/63/80/52/758638052.db2.gz XEHKUTOTWZLZHY-IHRRRGAJSA-N 1 1 347.419 0.196 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049426857 758671002 /nfs/dbraw/zinc/67/10/02/758671002.db2.gz ASUMSRGUHQAWQL-NWDGAFQWSA-N 1 1 325.800 0.802 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049426857 758671005 /nfs/dbraw/zinc/67/10/05/758671005.db2.gz ASUMSRGUHQAWQL-NWDGAFQWSA-N 1 1 325.800 0.802 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001049474048 758777995 /nfs/dbraw/zinc/77/79/95/758777995.db2.gz ORQPHKZBNPJREC-FVQBIDKESA-N 1 1 341.415 0.461 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001049483307 758794221 /nfs/dbraw/zinc/79/42/21/758794221.db2.gz VAGSLCCVDYESMA-STQMWFEESA-N 1 1 332.408 0.018 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(OCC(N)=O)c1 ZINC001049507360 758823210 /nfs/dbraw/zinc/82/32/10/758823210.db2.gz HOEJQGFEJDVSML-IAGOWNOFSA-N 1 1 341.411 0.863 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)n(C)c1=O ZINC001049507713 758824997 /nfs/dbraw/zinc/82/49/97/758824997.db2.gz LWWSTDODAWGCSV-CABCVRRESA-N 1 1 346.431 0.188 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049509756 758828945 /nfs/dbraw/zinc/82/89/45/758828945.db2.gz YSIAEARIEIOUFY-GJZGRUSLSA-N 1 1 339.461 0.111 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H](O)CNc2cc(CC)[nH+]c(C)n2)cn1 ZINC001105909317 762663729 /nfs/dbraw/zinc/66/37/29/762663729.db2.gz GYFFIYZLIPGVII-MRXNPFEDSA-N 1 1 339.399 0.927 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527991 758865760 /nfs/dbraw/zinc/86/57/60/758865760.db2.gz YUIXPWNDABEGNT-SRVKXCTJSA-N 1 1 340.811 0.402 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527991 758865771 /nfs/dbraw/zinc/86/57/71/758865771.db2.gz YUIXPWNDABEGNT-SRVKXCTJSA-N 1 1 340.811 0.402 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049550935 758912365 /nfs/dbraw/zinc/91/23/65/758912365.db2.gz CRVKXYZXQRKFCE-HOTGVXAUSA-N 1 1 328.416 0.974 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049552815 758914525 /nfs/dbraw/zinc/91/45/25/758914525.db2.gz QCCMYBVRPHKZSR-IAGOWNOFSA-N 1 1 340.427 0.812 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 ZINC001049558460 758920083 /nfs/dbraw/zinc/92/00/83/758920083.db2.gz PYYWERJSYSSIQS-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]3)[C@H]2C)C1=O ZINC001088837858 758974867 /nfs/dbraw/zinc/97/48/67/758974867.db2.gz DXFIXWRFPPVPDU-MBNYWOFBSA-N 1 1 347.419 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]3)[C@H]2C)C1=O ZINC001088837858 758974870 /nfs/dbraw/zinc/97/48/70/758974870.db2.gz DXFIXWRFPPVPDU-MBNYWOFBSA-N 1 1 347.419 0.105 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049636415 759032843 /nfs/dbraw/zinc/03/28/43/759032843.db2.gz CHDXZTZLJXGRDQ-HOTGVXAUSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001022735599 759066093 /nfs/dbraw/zinc/06/60/93/759066093.db2.gz ALMMFKSSGJNTBA-RQJABVFESA-N 1 1 334.424 0.582 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)cc1C#N ZINC001049691522 759106018 /nfs/dbraw/zinc/10/60/18/759106018.db2.gz MKLFXSPRLMYCBE-LSDHHAIUSA-N 1 1 342.399 0.617 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)cc1C#N ZINC001049691522 759106024 /nfs/dbraw/zinc/10/60/24/759106024.db2.gz MKLFXSPRLMYCBE-LSDHHAIUSA-N 1 1 342.399 0.617 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001049739634 759152544 /nfs/dbraw/zinc/15/25/44/759152544.db2.gz QGAPBXZJOJABJX-RBSFLKMASA-N 1 1 330.436 0.877 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H](O)C1 ZINC001083592950 759172516 /nfs/dbraw/zinc/17/25/16/759172516.db2.gz XMWJEJFMRBIGEY-OLZOCXBDSA-N 1 1 346.391 0.061 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049788020 759207871 /nfs/dbraw/zinc/20/78/71/759207871.db2.gz MMAXLQLXKGUHSI-ZIAGYGMSSA-N 1 1 332.404 0.178 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049789726 759213072 /nfs/dbraw/zinc/21/30/72/759213072.db2.gz FKBOCMYTLKHGOS-KGLIPLIRSA-N 1 1 334.420 0.570 20 30 ECEDMO N#Cc1cccc(CN2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)c1 ZINC001030347940 762693760 /nfs/dbraw/zinc/69/37/60/762693760.db2.gz QCPWLZRISCHVFI-MSOLQXFVSA-N 1 1 340.427 0.722 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001105913995 762694603 /nfs/dbraw/zinc/69/46/03/762694603.db2.gz MTNBYARNCYDBQY-UKRRQHHQSA-N 1 1 331.420 0.493 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049824651 759258368 /nfs/dbraw/zinc/25/83/68/759258368.db2.gz JFNUGLQRUXIKMB-UONOGXRCSA-N 1 1 346.431 0.405 20 30 ECEDMO N#Cc1ccc(CN2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)s1 ZINC001030348562 762697838 /nfs/dbraw/zinc/69/78/38/762697838.db2.gz UYBIESMGMUMJEW-BBRMVZONSA-N 1 1 346.456 0.783 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(N2CCOCC2)CCC1 ZINC001049829951 759264932 /nfs/dbraw/zinc/26/49/32/759264932.db2.gz VBEOWNRPPCVBIH-IRXDYDNUSA-N 1 1 331.460 0.940 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001049867614 759320074 /nfs/dbraw/zinc/32/00/74/759320074.db2.gz NZXNCKORURYLGW-IAGOWNOFSA-N 1 1 325.412 0.761 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001049867614 759320080 /nfs/dbraw/zinc/32/00/80/759320080.db2.gz NZXNCKORURYLGW-IAGOWNOFSA-N 1 1 325.412 0.761 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O ZINC001049869058 759321217 /nfs/dbraw/zinc/32/12/17/759321217.db2.gz BOFUKFIQCVZNKU-HOTGVXAUSA-N 1 1 347.463 0.922 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049869785 759322698 /nfs/dbraw/zinc/32/26/98/759322698.db2.gz FPLQIVONHRQMDG-UONOGXRCSA-N 1 1 346.431 0.405 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001047631124 759345735 /nfs/dbraw/zinc/34/57/35/759345735.db2.gz IWEPFEQWIAPRFJ-PMPSAXMXSA-N 1 1 337.464 0.713 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001054239867 767851753 /nfs/dbraw/zinc/85/17/53/767851753.db2.gz VSXHTSIQVVAFTR-GOSISDBHSA-N 1 1 344.415 0.437 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001049887228 759350897 /nfs/dbraw/zinc/35/08/97/759350897.db2.gz VWLWMUNHIKGKGP-BFHYXJOUSA-N 1 1 334.420 0.616 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1nc2ncccn2n1 ZINC001049889826 759355322 /nfs/dbraw/zinc/35/53/22/759355322.db2.gz JEIMSWAHBXVATG-HUUCEWRRSA-N 1 1 338.415 0.755 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001047633810 759356573 /nfs/dbraw/zinc/35/65/73/759356573.db2.gz MQYLORHYBCFEHO-ROUUACIJSA-N 1 1 343.427 0.463 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001047633810 759356583 /nfs/dbraw/zinc/35/65/83/759356583.db2.gz MQYLORHYBCFEHO-ROUUACIJSA-N 1 1 343.427 0.463 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047636036 759365674 /nfs/dbraw/zinc/36/56/74/759365674.db2.gz KVDUFQQESUAQTO-PMPSAXMXSA-N 1 1 335.448 0.162 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001047636036 759365686 /nfs/dbraw/zinc/36/56/86/759365686.db2.gz KVDUFQQESUAQTO-PMPSAXMXSA-N 1 1 335.448 0.162 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(=O)n(CCC)n1 ZINC001049896552 759371623 /nfs/dbraw/zinc/37/16/23/759371623.db2.gz ZKPCEKQWODDHOH-JKSUJKDBSA-N 1 1 328.416 0.965 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001047638226 759373310 /nfs/dbraw/zinc/37/33/10/759373310.db2.gz HNWKZGAUZJIRHM-AVGNSLFASA-N 1 1 333.354 0.150 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001047638226 759373319 /nfs/dbraw/zinc/37/33/19/759373319.db2.gz HNWKZGAUZJIRHM-AVGNSLFASA-N 1 1 333.354 0.150 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001047638411 759373754 /nfs/dbraw/zinc/37/37/54/759373754.db2.gz RFDKOCPRMMDWRW-ROUUACIJSA-N 1 1 329.444 0.889 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cncc(C(N)=O)c1 ZINC001049901528 759382570 /nfs/dbraw/zinc/38/25/70/759382570.db2.gz ZCCFZJVYAKNQHD-HZPDHXFCSA-N 1 1 326.400 0.883 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001054242226 767856726 /nfs/dbraw/zinc/85/67/26/767856726.db2.gz HZTBCOREWAXEBG-ZBFHGGJFSA-N 1 1 341.477 0.569 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001047644551 759392101 /nfs/dbraw/zinc/39/21/01/759392101.db2.gz KVZLQGYPNDUHOA-IRXDYDNUSA-N 1 1 345.443 0.798 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001049919235 759403040 /nfs/dbraw/zinc/40/30/40/759403040.db2.gz OCIQOHQUSJBRDV-LSDHHAIUSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCCO)CC1 ZINC001049921082 759405485 /nfs/dbraw/zinc/40/54/85/759405485.db2.gz UZKRWGPGEIVKKK-MSOLQXFVSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCCO)CC1 ZINC001049921082 759405491 /nfs/dbraw/zinc/40/54/91/759405491.db2.gz UZKRWGPGEIVKKK-MSOLQXFVSA-N 1 1 333.476 0.779 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C(N)=O)ccn1 ZINC001049935278 759428034 /nfs/dbraw/zinc/42/80/34/759428034.db2.gz IGKDECLFOUOVMA-CVEARBPZSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001054242950 767858675 /nfs/dbraw/zinc/85/86/75/767858675.db2.gz UJOATCNFUQCGLY-GDBMZVCRSA-N 1 1 339.461 0.016 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C(N)=O)nc1)C2 ZINC001054248247 767864971 /nfs/dbraw/zinc/86/49/71/767864971.db2.gz OZNFLFCYLWNNPD-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)c1 ZINC001050008965 759544720 /nfs/dbraw/zinc/54/47/20/759544720.db2.gz JEVPYGGBUWTEOQ-NWANDNLSSA-N 1 1 327.388 0.311 20 30 ECEDMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047812856 759553929 /nfs/dbraw/zinc/55/39/29/759553929.db2.gz YRUBNKIDNKXPNH-QWRGUYRKSA-N 1 1 328.380 0.050 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001050025891 759566147 /nfs/dbraw/zinc/56/61/47/759566147.db2.gz JRBCTMUPMYFUPT-DVOMOZLQSA-N 1 1 343.431 0.899 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn3cccc(Cl)c23)[C@@H](O)C1 ZINC001083626176 759598285 /nfs/dbraw/zinc/59/82/85/759598285.db2.gz IWPKZDUSYFDTIN-KGLIPLIRSA-N 1 1 332.791 0.786 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)COc3c(C)nn(C)c3C)[C@@H]2C1 ZINC001050047950 759614147 /nfs/dbraw/zinc/61/41/47/759614147.db2.gz VHNBVZOWZMLEDB-JKSUJKDBSA-N 1 1 330.432 0.972 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 ZINC001050049164 759615969 /nfs/dbraw/zinc/61/59/69/759615969.db2.gz VBOYBMRFMAUBQS-LSDHHAIUSA-N 1 1 345.443 0.718 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001050060874 759634623 /nfs/dbraw/zinc/63/46/23/759634623.db2.gz CGUOZHOOGMNHCU-YESZJQIVSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001050061054 759635613 /nfs/dbraw/zinc/63/56/13/759635613.db2.gz GFMIEPGLPOGBIK-YESZJQIVSA-N 1 1 347.459 0.427 20 30 ECEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@H](OC)C1 ZINC001212136536 759657394 /nfs/dbraw/zinc/65/73/94/759657394.db2.gz MFNCIKAZLQKGPD-ARFHVFGLSA-N 1 1 325.453 0.489 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(OC2C[NH+](C[C@@H](C)OC)C2)CC1 ZINC001105708785 759670656 /nfs/dbraw/zinc/67/06/56/759670656.db2.gz ZDHAIPWWDLHORF-HUUCEWRRSA-N 1 1 338.448 0.751 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3ccn[nH]3)C2)CC1 ZINC001012334945 759740561 /nfs/dbraw/zinc/74/05/61/759740561.db2.gz SMTCQLHGQJVEMO-DZGCQCFKSA-N 1 1 343.431 0.474 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)c1 ZINC001050136187 759778869 /nfs/dbraw/zinc/77/88/69/759778869.db2.gz USUOHTNBKUDMCB-IVMMDQJWSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)c1 ZINC001050136187 759778874 /nfs/dbraw/zinc/77/88/74/759778874.db2.gz USUOHTNBKUDMCB-IVMMDQJWSA-N 1 1 326.400 0.473 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nc1 ZINC001125132750 759793966 /nfs/dbraw/zinc/79/39/66/759793966.db2.gz HEMFULIEALNLAP-KRWDZBQOSA-N 1 1 347.463 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccncc2C)C1 ZINC000991225466 759834009 /nfs/dbraw/zinc/83/40/09/759834009.db2.gz ZUBKSCQGVBIICI-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccncc2C)C1 ZINC000991225466 759834018 /nfs/dbraw/zinc/83/40/18/759834018.db2.gz ZUBKSCQGVBIICI-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CN(C(=O)Cc3ccn[nH]3)CC2(C)C)C1=O ZINC000995608397 759865156 /nfs/dbraw/zinc/86/51/56/759865156.db2.gz NJOQYBJHHGOMAH-GJZGRUSLSA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993011845 767896802 /nfs/dbraw/zinc/89/68/02/767896802.db2.gz IOWNVIIIXZJNOA-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](O)C1 ZINC001083633372 759874372 /nfs/dbraw/zinc/87/43/72/759874372.db2.gz UUCOFHWZQKXDDE-CVEARBPZSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](O)C1 ZINC001083633372 759874378 /nfs/dbraw/zinc/87/43/78/759874378.db2.gz UUCOFHWZQKXDDE-CVEARBPZSA-N 1 1 327.388 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)nc1 ZINC001050184092 759893307 /nfs/dbraw/zinc/89/33/07/759893307.db2.gz ATGZQWVGPHQQEC-DUVNUKRYSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)nc1 ZINC001050184092 759893318 /nfs/dbraw/zinc/89/33/18/759893318.db2.gz ATGZQWVGPHQQEC-DUVNUKRYSA-N 1 1 326.400 0.473 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 ZINC001050198737 759921997 /nfs/dbraw/zinc/92/19/97/759921997.db2.gz YHNNZHXDTJPKBS-JKSUJKDBSA-N 1 1 332.448 0.723 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3CN([C@H](C)C(N)=O)C[C@H]32)CC1 ZINC001050208603 759944271 /nfs/dbraw/zinc/94/42/71/759944271.db2.gz PKVKXOAYYSHIPN-HYVNUMGLSA-N 1 1 346.475 0.128 20 30 ECEDMO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC000995655000 759953451 /nfs/dbraw/zinc/95/34/51/759953451.db2.gz YRJNADFONUMLCY-CYBMUJFWSA-N 1 1 327.392 0.655 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001050223692 759973259 /nfs/dbraw/zinc/97/32/59/759973259.db2.gz GTWGFOLFDRHZLQ-LSDHHAIUSA-N 1 1 345.447 0.947 20 30 ECEDMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)[nH]1 ZINC000995681811 760038992 /nfs/dbraw/zinc/03/89/92/760038992.db2.gz SIGSZJTVMXWYCY-CYBMUJFWSA-N 1 1 327.392 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccncc2)C1=O ZINC001032250279 760042114 /nfs/dbraw/zinc/04/21/14/760042114.db2.gz PQGNKILHJQNMKG-JYJNAYRXSA-N 1 1 326.400 0.767 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccncc2)C1=O ZINC001032250279 760042123 /nfs/dbraw/zinc/04/21/23/760042123.db2.gz PQGNKILHJQNMKG-JYJNAYRXSA-N 1 1 326.400 0.767 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1c1nccnc1C#N ZINC001050454180 760289017 /nfs/dbraw/zinc/28/90/17/760289017.db2.gz FSPPLRHGQDKRFD-MCIONIFRSA-N 1 1 328.420 0.773 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC000993039283 767943278 /nfs/dbraw/zinc/94/32/78/767943278.db2.gz FACNUTBPAWZYAG-SUNYJGFJSA-N 1 1 332.448 0.937 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C2CCCC2)[C@@H](O)C1 ZINC001083722719 767947092 /nfs/dbraw/zinc/94/70/92/767947092.db2.gz FEARIFLZFUSRGE-ZACQAIPSSA-N 1 1 337.464 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1cnon1)CC2 ZINC001050551249 760477602 /nfs/dbraw/zinc/47/76/02/760477602.db2.gz TUMPOFLPUIMDMK-INIZCTEOSA-N 1 1 343.431 0.592 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1cnon1)CC2 ZINC001050551249 760477609 /nfs/dbraw/zinc/47/76/09/760477609.db2.gz TUMPOFLPUIMDMK-INIZCTEOSA-N 1 1 343.431 0.592 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001050588661 760538857 /nfs/dbraw/zinc/53/88/57/760538857.db2.gz WAWOYQAQQQXPBJ-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3nc(OC)cc(OC)n3)CCC[C@H]12 ZINC000991386396 760633504 /nfs/dbraw/zinc/63/35/04/760633504.db2.gz MLEZTCSXAJVIAR-YVEFUNNKSA-N 1 1 330.388 0.854 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC)C[C@H]32)cc1 ZINC001114939981 760635840 /nfs/dbraw/zinc/63/58/40/760635840.db2.gz SRGPQMVMEXAQIL-VQFNDLOPSA-N 1 1 341.411 0.495 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC)C[C@H]32)cc1 ZINC001114939981 760635844 /nfs/dbraw/zinc/63/58/44/760635844.db2.gz SRGPQMVMEXAQIL-VQFNDLOPSA-N 1 1 341.411 0.495 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)c1 ZINC001048514568 760643674 /nfs/dbraw/zinc/64/36/74/760643674.db2.gz LIMDLWBGEYEXRR-AEIGPULVSA-N 1 1 341.415 0.748 20 30 ECEDMO COCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)nn1 ZINC001098673894 760648979 /nfs/dbraw/zinc/64/89/79/760648979.db2.gz VSJXZTXOVNCMLR-OAHLLOKOSA-N 1 1 333.436 0.837 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(CCOC)nn1)C2 ZINC001048524445 760660883 /nfs/dbraw/zinc/66/08/83/760660883.db2.gz NPVVASKQHAHHPY-MUJYYYPQSA-N 1 1 345.447 0.921 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2coc3c2C(=O)NCCC3)[C@@H](O)C1 ZINC001083657351 760686559 /nfs/dbraw/zinc/68/65/59/760686559.db2.gz UJTSQUUGGOQPAL-KGLIPLIRSA-N 1 1 347.415 0.697 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001048545977 760693517 /nfs/dbraw/zinc/69/35/17/760693517.db2.gz TUJCJEHTDMKMLI-JONQDZQNSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1Cc3cncn3C(=O)N1)C2 ZINC001048547995 760696817 /nfs/dbraw/zinc/69/68/17/760696817.db2.gz UJXWPMHLBDCXNR-FQLMCAECSA-N 1 1 341.415 0.358 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)C[C@H]3CCOC3)C2)C1=O ZINC001030026841 760757485 /nfs/dbraw/zinc/75/74/85/760757485.db2.gz ILRAEVHJPLBHTB-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C[C@H]3CCOC3)C2)C1=O ZINC001030026841 760757486 /nfs/dbraw/zinc/75/74/86/760757486.db2.gz ILRAEVHJPLBHTB-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1c1nccnc1C#N ZINC001048586989 760759879 /nfs/dbraw/zinc/75/98/79/760759879.db2.gz GUFIRMOQQNNZES-CFVMTHIKSA-N 1 1 328.420 0.916 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1cncc(C#N)n1 ZINC001048613595 760792548 /nfs/dbraw/zinc/79/25/48/760792548.db2.gz VAHLTEJREPLBEN-RRFJBIMHSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1cncc(C#N)n1 ZINC001048613595 760792555 /nfs/dbraw/zinc/79/25/55/760792555.db2.gz VAHLTEJREPLBEN-RRFJBIMHSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C(C)=C/C)C1 ZINC001048659592 760872909 /nfs/dbraw/zinc/87/29/09/760872909.db2.gz HETDAQMPNJREPF-GKPJHNPKSA-N 1 1 333.432 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C(C)=C/C)C1 ZINC001048659592 760872922 /nfs/dbraw/zinc/87/29/22/760872922.db2.gz HETDAQMPNJREPF-GKPJHNPKSA-N 1 1 333.432 0.080 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)[C@@H](O)C1 ZINC001083675331 761034808 /nfs/dbraw/zinc/03/48/08/761034808.db2.gz WUODWHPBMCULNL-CFVMTHIKSA-N 1 1 334.420 0.275 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)[C@@H](O)C1 ZINC001083675331 761034815 /nfs/dbraw/zinc/03/48/15/761034815.db2.gz WUODWHPBMCULNL-CFVMTHIKSA-N 1 1 334.420 0.275 20 30 ECEDMO COCc1noc([C@H](C)[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1 ZINC001048726561 761051444 /nfs/dbraw/zinc/05/14/44/761051444.db2.gz FVSXFFQEEZLSRT-XQHKEYJVSA-N 1 1 333.392 0.827 20 30 ECEDMO COCc1noc([C@H](C)[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1 ZINC001048726561 761051451 /nfs/dbraw/zinc/05/14/51/761051451.db2.gz FVSXFFQEEZLSRT-XQHKEYJVSA-N 1 1 333.392 0.827 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCCCC3)C[C@@H]2C1 ZINC001048728204 761054723 /nfs/dbraw/zinc/05/47/23/761054723.db2.gz XJPLGSVTYHJHNR-OAGGEKHMSA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3nnnn3C3CC3)C[C@@H]2C1 ZINC001048727787 761056061 /nfs/dbraw/zinc/05/60/61/761056061.db2.gz MTGRGFMTMVFQDL-XQHKEYJVSA-N 1 1 329.408 0.619 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3nnnn3C3CC3)C[C@@H]2C1 ZINC001048727787 761056071 /nfs/dbraw/zinc/05/60/71/761056071.db2.gz MTGRGFMTMVFQDL-XQHKEYJVSA-N 1 1 329.408 0.619 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC000991470018 761083562 /nfs/dbraw/zinc/08/35/62/761083562.db2.gz HEKGHBMGLNOHTI-PBHICJAKSA-N 1 1 333.436 0.661 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)C[C@@H]3C2)c1 ZINC001048750288 761109734 /nfs/dbraw/zinc/10/97/34/761109734.db2.gz VXQITEPXSRNLHI-OKILXGFUSA-N 1 1 325.376 0.182 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC000991478513 761134730 /nfs/dbraw/zinc/13/47/30/761134730.db2.gz BDFSFNYKJFMXOT-HUUCEWRRSA-N 1 1 348.447 0.872 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CSCC#N)C1 ZINC001050949899 761199842 /nfs/dbraw/zinc/19/98/42/761199842.db2.gz HSGLAZKNPNEJDJ-ZIAGYGMSSA-N 1 1 340.493 0.937 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)NC(=O)CSCC#N)C1 ZINC001050949896 761199921 /nfs/dbraw/zinc/19/99/21/761199921.db2.gz HSGLAZKNPNEJDJ-KBPBESRZSA-N 1 1 340.493 0.937 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001077447741 761204793 /nfs/dbraw/zinc/20/47/93/761204793.db2.gz LKPTWVZZHJRZDU-BRWVUGGUSA-N 1 1 337.464 0.225 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC/C=C\CCC)C[C@H]1OC ZINC001212149556 761307848 /nfs/dbraw/zinc/30/78/48/761307848.db2.gz ABQJUOPNTYJAFH-ZJBFNYKTSA-N 1 1 335.448 0.688 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001051011127 761331321 /nfs/dbraw/zinc/33/13/21/761331321.db2.gz HFGZFOWDPVBTLK-CABCVRRESA-N 1 1 338.452 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001051011127 761331332 /nfs/dbraw/zinc/33/13/32/761331332.db2.gz HFGZFOWDPVBTLK-CABCVRRESA-N 1 1 338.452 0.560 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CCCCC(N)=O)CC2)C1 ZINC001105731035 761382268 /nfs/dbraw/zinc/38/22/68/761382268.db2.gz JEQQHFVNKRTHGC-UHFFFAOYSA-N 1 1 335.448 0.747 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1ncnn1CCF ZINC001054566665 768043973 /nfs/dbraw/zinc/04/39/73/768043973.db2.gz BMEXDZDLJXLRTP-RISCZKNCSA-N 1 1 345.382 0.698 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1C ZINC001054549897 768038948 /nfs/dbraw/zinc/03/89/48/768038948.db2.gz RCXIDHQWZSMBIV-BXUZGUMPSA-N 1 1 341.419 0.828 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1 ZINC001054573528 768046672 /nfs/dbraw/zinc/04/66/72/768046672.db2.gz OHFBJIYREBGJLI-ABAIWWIYSA-N 1 1 327.392 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(F)ncn2)[C@@H]1C ZINC001051195776 761665618 /nfs/dbraw/zinc/66/56/18/761665618.db2.gz COSOHRDNAGRQGE-RDBSUJKOSA-N 1 1 331.395 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(F)ncn2)[C@@H]1C ZINC001051195776 761665619 /nfs/dbraw/zinc/66/56/19/761665619.db2.gz COSOHRDNAGRQGE-RDBSUJKOSA-N 1 1 331.395 0.797 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(S(N)(=O)=O)o3)CCC[C@H]12 ZINC000991568401 761673119 /nfs/dbraw/zinc/67/31/19/761673119.db2.gz NWHDIMCKKLCVKS-WFASDCNBSA-N 1 1 337.401 0.287 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)nc1 ZINC001051213841 761703193 /nfs/dbraw/zinc/70/31/93/761703193.db2.gz FTLCQTZPEHFGCY-DLBZAZTESA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H]2CCCOC2)nc1 ZINC001051213841 761703199 /nfs/dbraw/zinc/70/31/99/761703199.db2.gz FTLCQTZPEHFGCY-DLBZAZTESA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H]2CCOC2)cn1 ZINC001051217419 761709262 /nfs/dbraw/zinc/70/92/62/761709262.db2.gz RXBCBIMXGIIRQF-YOEHRIQHSA-N 1 1 329.400 0.530 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H]2CCOC2)cn1 ZINC001051217419 761709266 /nfs/dbraw/zinc/70/92/66/761709266.db2.gz RXBCBIMXGIIRQF-YOEHRIQHSA-N 1 1 329.400 0.530 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2Cc2ccc(C#N)s2)C1 ZINC001051240307 761741625 /nfs/dbraw/zinc/74/16/25/761741625.db2.gz FYUVVWQOVSEGCB-ZIAGYGMSSA-N 1 1 348.472 0.888 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2COCCN2Cc2ccc(C#N)cc2)C1 ZINC001051242857 761748063 /nfs/dbraw/zinc/74/80/63/761748063.db2.gz YSBQUJXOCOUXMC-MSOLQXFVSA-N 1 1 342.443 0.827 20 30 ECEDMO C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001051255867 761776734 /nfs/dbraw/zinc/77/67/34/761776734.db2.gz UIVVDSYMDRKQHJ-KBPBESRZSA-N 1 1 331.844 0.277 20 30 ECEDMO C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001051255867 761776739 /nfs/dbraw/zinc/77/67/39/761776739.db2.gz UIVVDSYMDRKQHJ-KBPBESRZSA-N 1 1 331.844 0.277 20 30 ECEDMO CC#CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CN(C)C(=O)N3)cccc2C1 ZINC001051296499 761844191 /nfs/dbraw/zinc/84/41/91/761844191.db2.gz SIDPAPHTKVCEII-KRWDZBQOSA-N 1 1 340.427 0.708 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)nn1 ZINC001098676780 762721367 /nfs/dbraw/zinc/72/13/67/762721367.db2.gz VUGTZXMVMWLJNJ-CQSZACIVSA-N 1 1 341.419 0.784 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccncc2C#N)C[C@@H]1O ZINC001051749339 762868481 /nfs/dbraw/zinc/86/84/81/762868481.db2.gz DSMWBDOMTQFMPE-HOCLYGCPSA-N 1 1 340.387 0.214 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@H](C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001051753083 762880167 /nfs/dbraw/zinc/88/01/67/762880167.db2.gz VWXGKGLBIVOATM-QWHCGFSZSA-N 1 1 336.440 0.690 20 30 ECEDMO Cc1ccc(C#N)c(NCC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001106293055 768090744 /nfs/dbraw/zinc/09/07/44/768090744.db2.gz AEIYGUKYVISMFE-ZFWWWQNUSA-N 1 1 331.420 0.899 20 30 ECEDMO Cc1ccc(C#N)c(NCC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001106293055 768090751 /nfs/dbraw/zinc/09/07/51/768090751.db2.gz AEIYGUKYVISMFE-ZFWWWQNUSA-N 1 1 331.420 0.899 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCN(C(N)=O)C3)CCC[C@@H]12 ZINC000991715983 762917990 /nfs/dbraw/zinc/91/79/90/762917990.db2.gz ZWDUJOKTZJVBDA-HDMKZQKVSA-N 1 1 332.448 0.914 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)c1 ZINC001014709800 763023212 /nfs/dbraw/zinc/02/32/12/763023212.db2.gz DCOCBYWAWOUFRV-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncnn3CC)C2)C1 ZINC001051815006 763029165 /nfs/dbraw/zinc/02/91/65/763029165.db2.gz OBEKXRXATIONEY-AWEZNQCLSA-N 1 1 333.436 0.971 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ncc(C)o2)C1 ZINC001051834893 763077155 /nfs/dbraw/zinc/07/71/55/763077155.db2.gz ZTPQPUXYCUDHCS-ZNMIVQPWSA-N 1 1 335.404 0.891 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001046783201 763120502 /nfs/dbraw/zinc/12/05/02/763120502.db2.gz KOQFGYXEXCZHFE-BFUOFWGJSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001046783201 763120510 /nfs/dbraw/zinc/12/05/10/763120510.db2.gz KOQFGYXEXCZHFE-BFUOFWGJSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC001046783554 763120558 /nfs/dbraw/zinc/12/05/58/763120558.db2.gz QZTGMEFVNFGWKF-FZKQIMNGSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC001046783554 763120565 /nfs/dbraw/zinc/12/05/65/763120565.db2.gz QZTGMEFVNFGWKF-FZKQIMNGSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cnnn2CC)C1 ZINC001014768327 763121856 /nfs/dbraw/zinc/12/18/56/763121856.db2.gz BXWWXLLLHJEEHT-ZBFHGGJFSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cnnn2CC)C1 ZINC001014768327 763121862 /nfs/dbraw/zinc/12/18/62/763121862.db2.gz BXWWXLLLHJEEHT-ZBFHGGJFSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnnn2CC)C1 ZINC001014768326 763122043 /nfs/dbraw/zinc/12/20/43/763122043.db2.gz BXWWXLLLHJEEHT-HOCLYGCPSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnnn2CC)C1 ZINC001014768326 763122047 /nfs/dbraw/zinc/12/20/47/763122047.db2.gz BXWWXLLLHJEEHT-HOCLYGCPSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC001014780657 763142069 /nfs/dbraw/zinc/14/20/69/763142069.db2.gz UOTWUXWSJSCITP-ROUUACIJSA-N 1 1 343.475 0.788 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cn(CC)nn2)C1 ZINC001014780859 763142148 /nfs/dbraw/zinc/14/21/48/763142148.db2.gz VQXWBFHONYCLSA-ZBFHGGJFSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cn(CC)nn2)C1 ZINC001014780859 763142155 /nfs/dbraw/zinc/14/21/55/763142155.db2.gz VQXWBFHONYCLSA-ZBFHGGJFSA-N 1 1 330.436 0.086 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C)n1 ZINC001089844763 763147783 /nfs/dbraw/zinc/14/77/83/763147783.db2.gz BAXDSOJEIASDMC-LOWDOPEQSA-N 1 1 336.827 0.745 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(=O)n1C ZINC001089846685 763149828 /nfs/dbraw/zinc/14/98/28/763149828.db2.gz OYVCNBBYPRPSEA-YJNKXOJESA-N 1 1 328.416 0.931 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccoc1CC(N)=O ZINC001089854009 763194374 /nfs/dbraw/zinc/19/43/74/763194374.db2.gz ZKLIJLOYOKGTEK-XZDPQHSOSA-N 1 1 341.411 0.723 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)cc1F ZINC001014813006 763218488 /nfs/dbraw/zinc/21/84/88/763218488.db2.gz XJDZWYDGJDYWMY-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)cc1F ZINC001014813006 763218495 /nfs/dbraw/zinc/21/84/95/763218495.db2.gz XJDZWYDGJDYWMY-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NCC2=CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001127670742 763218784 /nfs/dbraw/zinc/21/87/84/763218784.db2.gz ZXTLSIIVXQGMQW-OAHLLOKOSA-N 1 1 340.431 0.943 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN([C@@H]3CCCNC3=O)C2)CC1 ZINC001046849053 763226506 /nfs/dbraw/zinc/22/65/06/763226506.db2.gz ADPMLSGVSIRRRK-APWZRJJASA-N 1 1 346.475 0.191 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c(C)nn(C)c3C)C2)C1=O ZINC001031883836 763296844 /nfs/dbraw/zinc/29/68/44/763296844.db2.gz CSAKOYLEDBNCNN-OAHLLOKOSA-N 1 1 345.447 0.485 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)[nH]3)C2)nc1 ZINC001051909355 763304620 /nfs/dbraw/zinc/30/46/20/763304620.db2.gz SITDQSBORCFCKS-AWEZNQCLSA-N 1 1 340.387 0.120 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nonc3C)C2)cn1 ZINC001051909804 763305349 /nfs/dbraw/zinc/30/53/49/763305349.db2.gz ZOHOETLQRHFDOC-HNNXBMFYSA-N 1 1 341.371 0.385 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001030442145 763327229 /nfs/dbraw/zinc/32/72/29/763327229.db2.gz NLQFSEQYAJWVRQ-IAGOWNOFSA-N 1 1 348.491 0.837 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001106921412 763346388 /nfs/dbraw/zinc/34/63/88/763346388.db2.gz GHALGBKUKARFNL-HNNXBMFYSA-N 1 1 346.435 0.718 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001106921412 763346399 /nfs/dbraw/zinc/34/63/99/763346399.db2.gz GHALGBKUKARFNL-HNNXBMFYSA-N 1 1 346.435 0.718 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046926501 763398946 /nfs/dbraw/zinc/39/89/46/763398946.db2.gz PTHCCAQOVBHXDU-UONOGXRCSA-N 1 1 329.391 0.414 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046930760 763409207 /nfs/dbraw/zinc/40/92/07/763409207.db2.gz IXAKDCBTWCXYHC-MNOVXSKESA-N 1 1 326.347 0.954 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]3C(N)=O)C2)s1 ZINC001031896200 763415133 /nfs/dbraw/zinc/41/51/33/763415133.db2.gz DOKWFWYRIXLBFV-KGLIPLIRSA-N 1 1 332.429 0.679 20 30 ECEDMO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001031896379 763417645 /nfs/dbraw/zinc/41/76/45/763417645.db2.gz GBTLLGRBEIECQH-OAHLLOKOSA-N 1 1 342.399 0.251 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001054654891 768133717 /nfs/dbraw/zinc/13/37/17/768133717.db2.gz HAELATAIKWWIRO-DZGCQCFKSA-N 1 1 330.436 0.823 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001046943323 763431599 /nfs/dbraw/zinc/43/15/99/763431599.db2.gz FDLJGHWQFZANKJ-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001046943323 763431602 /nfs/dbraw/zinc/43/16/02/763431602.db2.gz FDLJGHWQFZANKJ-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nsc(N(C)C)n2)C1 ZINC001030462053 763434353 /nfs/dbraw/zinc/43/43/53/763434353.db2.gz JLJYSDQIOFPEBD-ZDUSSCGKSA-N 1 1 348.476 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nsc(N(C)C)n2)C1 ZINC001030462053 763434354 /nfs/dbraw/zinc/43/43/54/763434354.db2.gz JLJYSDQIOFPEBD-ZDUSSCGKSA-N 1 1 348.476 0.002 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc(OC)ccn2)C1 ZINC001030462268 763436783 /nfs/dbraw/zinc/43/67/83/763436783.db2.gz OLULOZUAAOXXHF-KRWDZBQOSA-N 1 1 328.416 0.488 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc(OC)ccn2)C1 ZINC001030462268 763436788 /nfs/dbraw/zinc/43/67/88/763436788.db2.gz OLULOZUAAOXXHF-KRWDZBQOSA-N 1 1 328.416 0.488 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001046949190 763442673 /nfs/dbraw/zinc/44/26/73/763442673.db2.gz PMNCLGJCNPJSJC-GFCCVEGCSA-N 1 1 348.357 0.753 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001046949190 763442677 /nfs/dbraw/zinc/44/26/77/763442677.db2.gz PMNCLGJCNPJSJC-GFCCVEGCSA-N 1 1 348.357 0.753 20 30 ECEDMO COCC(=O)N1CC[C@@H]([NH+]2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC001051957114 763447912 /nfs/dbraw/zinc/44/79/12/763447912.db2.gz ZVLXOVUOFOUAOY-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001046952505 763449981 /nfs/dbraw/zinc/44/99/81/763449981.db2.gz YWCVPTZKEXLXSQ-OLZOCXBDSA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001046952505 763449983 /nfs/dbraw/zinc/44/99/83/763449983.db2.gz YWCVPTZKEXLXSQ-OLZOCXBDSA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001046953897 763453836 /nfs/dbraw/zinc/45/38/36/763453836.db2.gz MRXFANOLWDPLQN-UONOGXRCSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001046953897 763453842 /nfs/dbraw/zinc/45/38/42/763453842.db2.gz MRXFANOLWDPLQN-UONOGXRCSA-N 1 1 329.391 0.414 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001046955401 763457234 /nfs/dbraw/zinc/45/72/34/763457234.db2.gz ZMNBVDKCECWXTB-ZIAGYGMSSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(C3CCC3)n2)C1 ZINC001030464437 763458665 /nfs/dbraw/zinc/45/86/65/763458665.db2.gz STXYFHRSAKRHGC-HNNXBMFYSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(C3CCC3)n2)C1 ZINC001030464437 763458673 /nfs/dbraw/zinc/45/86/73/763458673.db2.gz STXYFHRSAKRHGC-HNNXBMFYSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001046956815 763459813 /nfs/dbraw/zinc/45/98/13/763459813.db2.gz GPVXDAWGGGIAGU-GFCCVEGCSA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001046956815 763459816 /nfs/dbraw/zinc/45/98/16/763459816.db2.gz GPVXDAWGGGIAGU-GFCCVEGCSA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)nc2OC)C1 ZINC001046961850 763470551 /nfs/dbraw/zinc/47/05/51/763470551.db2.gz SVKRKZBIUJOXJM-LLVKDONJSA-N 1 1 326.347 0.749 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)nc2OC)C1 ZINC001046961850 763470554 /nfs/dbraw/zinc/47/05/54/763470554.db2.gz SVKRKZBIUJOXJM-LLVKDONJSA-N 1 1 326.347 0.749 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001105994951 763481112 /nfs/dbraw/zinc/48/11/12/763481112.db2.gz KRQVIZWMNRJEQT-GJZGRUSLSA-N 1 1 346.435 0.500 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cncnc3C)C2)CC1 ZINC001051989032 763524942 /nfs/dbraw/zinc/52/49/42/763524942.db2.gz BYINEKYJHMPZTN-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001046991413 763525871 /nfs/dbraw/zinc/52/58/71/763525871.db2.gz FVPNPLJLWQZLEN-GJZGRUSLSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001046991413 763525876 /nfs/dbraw/zinc/52/58/76/763525876.db2.gz FVPNPLJLWQZLEN-GJZGRUSLSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001046995247 763533957 /nfs/dbraw/zinc/53/39/57/763533957.db2.gz OIKBSRRCKFQEKU-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccnn3C)C2)CC1 ZINC001052018077 763596503 /nfs/dbraw/zinc/59/65/03/763596503.db2.gz BRKBJOXNIUUGOG-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C3CCC(O)CC3)C2)CC1 ZINC001052020621 763602986 /nfs/dbraw/zinc/60/29/86/763602986.db2.gz IRUQDKXRQVQDNO-ADKAHSJRSA-N 1 1 333.476 0.779 20 30 ECEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001014981997 763607959 /nfs/dbraw/zinc/60/79/59/763607959.db2.gz VHVKXSQESOCMRB-HOCLYGCPSA-N 1 1 329.400 0.944 20 30 ECEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001014981997 763607962 /nfs/dbraw/zinc/60/79/62/763607962.db2.gz VHVKXSQESOCMRB-HOCLYGCPSA-N 1 1 329.400 0.944 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C2)CC1 ZINC001052032313 763633481 /nfs/dbraw/zinc/63/34/81/763633481.db2.gz FLKUEYBVSPJBIQ-HNNXBMFYSA-N 1 1 340.431 0.976 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031774 763633731 /nfs/dbraw/zinc/63/37/31/763633731.db2.gz WNVABCQJLXPGLQ-QGZVFWFLSA-N 1 1 329.448 0.297 20 30 ECEDMO COc1cc(CCC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)on1 ZINC001052035297 763640961 /nfs/dbraw/zinc/64/09/61/763640961.db2.gz GZFXTAARTQIVSV-AWEZNQCLSA-N 1 1 347.419 0.358 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052035470 763642337 /nfs/dbraw/zinc/64/23/37/763642337.db2.gz JZKPJSUUKSOJKE-OAHLLOKOSA-N 1 1 327.432 0.295 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCn3ccccc3=O)C2)CC1 ZINC001052036096 763646288 /nfs/dbraw/zinc/64/62/88/763646288.db2.gz ZKMDZNJXIPCIQG-KRWDZBQOSA-N 1 1 342.443 0.090 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001077574182 763647130 /nfs/dbraw/zinc/64/71/30/763647130.db2.gz FDZQYNHFIGELDC-BFHYXJOUSA-N 1 1 349.397 0.998 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052036226 763647559 /nfs/dbraw/zinc/64/75/59/763647559.db2.gz ICFCFCCBHHVJAI-MSOLQXFVSA-N 1 1 347.507 0.991 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052036932 763652145 /nfs/dbraw/zinc/65/21/45/763652145.db2.gz YKKISOFULYTPDC-IRXDYDNUSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4c([nH]3)CCOC4)C2)CC1 ZINC001052036925 763652259 /nfs/dbraw/zinc/65/22/59/763652259.db2.gz YDMALSYBKSEERC-MRXNPFEDSA-N 1 1 342.443 0.553 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)nc3CC)C2)CC1 ZINC001052041444 763666950 /nfs/dbraw/zinc/66/69/50/763666950.db2.gz IGLJULDZRBSBST-MRXNPFEDSA-N 1 1 343.475 0.838 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)nc3COC)C2)CC1 ZINC001052044067 763677087 /nfs/dbraw/zinc/67/70/87/763677087.db2.gz BYZYSCUJVGYOPA-OAHLLOKOSA-N 1 1 345.447 0.032 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(CN(C)C)on3)C2)CC1 ZINC001052044077 763677107 /nfs/dbraw/zinc/67/71/07/763677107.db2.gz CFQPENVXPSXXRS-OAHLLOKOSA-N 1 1 347.463 0.754 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001212185564 763685462 /nfs/dbraw/zinc/68/54/62/763685462.db2.gz XEGHBOZFTBUHSI-ARFHVFGLSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001212185564 763685469 /nfs/dbraw/zinc/68/54/69/763685469.db2.gz XEGHBOZFTBUHSI-ARFHVFGLSA-N 1 1 337.464 0.862 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)Nc1ccnc(C#N)n1 ZINC001099218667 768153198 /nfs/dbraw/zinc/15/31/98/768153198.db2.gz KZELRQRUDIGWJR-KGLIPLIRSA-N 1 1 330.436 0.951 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncc(OC)cn3)C2)CC1 ZINC001052049404 763701009 /nfs/dbraw/zinc/70/10/09/763701009.db2.gz LBWPIGWXHFGNOE-CQSZACIVSA-N 1 1 331.420 0.503 20 30 ECEDMO C#CCC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)ccc3=O)C2)CC1 ZINC001052049438 763701597 /nfs/dbraw/zinc/70/15/97/763701597.db2.gz LRINEBMOFREPNN-INIZCTEOSA-N 1 1 342.443 0.241 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001052049345 763701720 /nfs/dbraw/zinc/70/17/20/763701720.db2.gz FNQISWXPGNBBOQ-JSGCOSHPSA-N 1 1 349.460 0.659 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4nccn4c3)C2)CC1 ZINC001052052645 763717484 /nfs/dbraw/zinc/71/74/84/763717484.db2.gz SMDPQDAHXRJTKO-INIZCTEOSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)CC1 ZINC001052052876 763718357 /nfs/dbraw/zinc/71/83/57/763718357.db2.gz ZDKPYMBADZXQLH-GBESFXJTSA-N 1 1 345.487 0.901 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cncc(C)c3)C2)CC1 ZINC001052055496 763724682 /nfs/dbraw/zinc/72/46/82/763724682.db2.gz MVIYYQOMFLHRAQ-GOSISDBHSA-N 1 1 326.444 0.784 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3coc(OC)n3)C2)CC1 ZINC001052057736 763732198 /nfs/dbraw/zinc/73/21/98/763732198.db2.gz SDBVDNCDIXQPAC-CQSZACIVSA-N 1 1 332.404 0.539 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(CCC)nn3)C2)nn1 ZINC001098758252 763764029 /nfs/dbraw/zinc/76/40/29/763764029.db2.gz YBQAIKLMQIYXAA-AWEZNQCLSA-N 1 1 344.423 0.642 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069210 763764928 /nfs/dbraw/zinc/76/49/28/763764928.db2.gz UAOLIOPSFVWDCY-LPHOPBHVSA-N 1 1 346.475 0.145 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)CC[N@H+]1C ZINC001052071720 763773142 /nfs/dbraw/zinc/77/31/42/763773142.db2.gz XWVGAXXLWPUBLS-YESZJQIVSA-N 1 1 333.480 0.459 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)C1 ZINC000941489946 763774023 /nfs/dbraw/zinc/77/40/23/763774023.db2.gz QSDYYKVDRWCQJO-UHFFFAOYSA-N 1 1 342.447 0.114 20 30 ECEDMO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CC3=CCOCC3)C2)CC1 ZINC001052074863 763781248 /nfs/dbraw/zinc/78/12/48/763781248.db2.gz NSQLWLZNDGXMHD-SFHVURJKSA-N 1 1 331.460 0.965 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NC)C2 ZINC001047186066 763782632 /nfs/dbraw/zinc/78/26/32/763782632.db2.gz FYKJUCHIGYKCMM-QGTPRVQTSA-N 1 1 339.439 0.926 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C(N)=O)co3)C2)CC1 ZINC001052079230 763791864 /nfs/dbraw/zinc/79/18/64/763791864.db2.gz GPOWNPCMOKMYIK-AWEZNQCLSA-N 1 1 332.404 0.397 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(=O)n3C)C2)CC1 ZINC001052081176 763797217 /nfs/dbraw/zinc/79/72/17/763797217.db2.gz KFQXSBZXXCLSIQ-INIZCTEOSA-N 1 1 342.443 0.241 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cncs3)C2)CC1 ZINC001052081349 763797979 /nfs/dbraw/zinc/79/79/79/763797979.db2.gz AEEJTKPGHXVEAG-HNNXBMFYSA-N 1 1 332.473 0.927 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3ccc(C)n3)C2)CC1 ZINC001052085250 763810966 /nfs/dbraw/zinc/81/09/66/763810966.db2.gz BKQSRXGKRKMQKL-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C3CCN(CC#N)CC3)C2)C1 ZINC001047229420 763818569 /nfs/dbraw/zinc/81/85/69/763818569.db2.gz RADQYRDJXVYHGL-SJORKVTESA-N 1 1 334.464 0.791 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C3CCN(CC#N)CC3)C2)C1 ZINC001047229420 763818575 /nfs/dbraw/zinc/81/85/75/763818575.db2.gz RADQYRDJXVYHGL-SJORKVTESA-N 1 1 334.464 0.791 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001077575100 763825061 /nfs/dbraw/zinc/82/50/61/763825061.db2.gz GXQQHNHJEDJYAG-ZIAGYGMSSA-N 1 1 331.407 0.701 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3nccc3C)C2)CC1 ZINC001052090057 763825493 /nfs/dbraw/zinc/82/54/93/763825493.db2.gz WSWODHKJPNRXIW-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccn(CC)n3)C2)CC1 ZINC001052092736 763834203 /nfs/dbraw/zinc/83/42/03/763834203.db2.gz HQKNCCDIVWNMNZ-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cncc(OC)n3)C2)CC1 ZINC001052093994 763838306 /nfs/dbraw/zinc/83/83/06/763838306.db2.gz VEDCFNGGEFQWSN-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)COC3CCOCC3)C2)CC1 ZINC001052094510 763839425 /nfs/dbraw/zinc/83/94/25/763839425.db2.gz VCYGBTFZNUFVQJ-MRXNPFEDSA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c[nH]c(=O)cc3C)C2)C1=O ZINC001031967337 763848500 /nfs/dbraw/zinc/84/85/00/763848500.db2.gz MWISVOUVHJAFDS-HNNXBMFYSA-N 1 1 344.415 0.544 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C2)CC1 ZINC001052096850 763849425 /nfs/dbraw/zinc/84/94/25/763849425.db2.gz QJPUDMBQMIDJDD-ZDUSSCGKSA-N 1 1 348.472 0.865 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3cccnc3)C2)CC1 ZINC001052099281 763857332 /nfs/dbraw/zinc/85/73/32/763857332.db2.gz XRUBPTVWJQMZJK-QGZVFWFLSA-N 1 1 342.443 0.702 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]c(C)cc3=O)C2)CC1 ZINC001052105834 763877670 /nfs/dbraw/zinc/87/76/70/763877670.db2.gz RJPCKUZHFKPFOW-MRXNPFEDSA-N 1 1 342.443 0.539 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnc(OC)nc3)C2)nn1 ZINC001098761139 763885216 /nfs/dbraw/zinc/88/52/16/763885216.db2.gz BDOFDFDRQGJMBA-AWEZNQCLSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107937 763889274 /nfs/dbraw/zinc/88/92/74/763889274.db2.gz IAOFESISDZHWLF-ROUUACIJSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107937 763889286 /nfs/dbraw/zinc/88/92/86/763889286.db2.gz IAOFESISDZHWLF-ROUUACIJSA-N 1 1 332.492 0.570 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C2)CC1 ZINC001052109186 763895246 /nfs/dbraw/zinc/89/52/46/763895246.db2.gz XXFQTEPAWSKIOC-OAHLLOKOSA-N 1 1 344.463 0.561 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC001052112779 763907878 /nfs/dbraw/zinc/90/78/78/763907878.db2.gz DDBZMZLIUBFRMM-KRWDZBQOSA-N 1 1 327.428 0.917 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2cc(C)ncc2C#N)C1 ZINC001106345061 768173943 /nfs/dbraw/zinc/17/39/43/768173943.db2.gz VPWAIHOGHNCYLW-CXAGYDPISA-N 1 1 345.447 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2cc(C)ncc2C#N)C1 ZINC001106345061 768173949 /nfs/dbraw/zinc/17/39/49/768173949.db2.gz VPWAIHOGHNCYLW-CXAGYDPISA-N 1 1 345.447 0.711 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3Cc4cccnc4C3)C2)CC1 ZINC001052113400 763912690 /nfs/dbraw/zinc/91/26/90/763912690.db2.gz UPAKDLHNGYSPTL-IAGOWNOFSA-N 1 1 339.443 0.538 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCN3CCCC3=O)C2)CC1 ZINC001052117013 763925843 /nfs/dbraw/zinc/92/58/43/763925843.db2.gz DEBNZQDWWZAPGA-MRXNPFEDSA-N 1 1 334.464 0.403 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCN3CCCC3=O)C2)CC1 ZINC001052117013 763925844 /nfs/dbraw/zinc/92/58/44/763925844.db2.gz DEBNZQDWWZAPGA-MRXNPFEDSA-N 1 1 334.464 0.403 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncc4n3CCCC4)C2)CC1 ZINC001052119167 763935090 /nfs/dbraw/zinc/93/50/90/763935090.db2.gz LMSLGSUAQKGSES-QGZVFWFLSA-N 1 1 341.459 0.685 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001015121587 763939350 /nfs/dbraw/zinc/93/93/50/763939350.db2.gz VPAABLGPZVBNCW-ZFWWWQNUSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001015121587 763939356 /nfs/dbraw/zinc/93/93/56/763939356.db2.gz VPAABLGPZVBNCW-ZFWWWQNUSA-N 1 1 329.404 0.376 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C3CCOCC3)C2)CC1 ZINC001052127336 763956303 /nfs/dbraw/zinc/95/63/03/763956303.db2.gz VUPHXCKCBUVBNL-AEFFLSMTSA-N 1 1 333.476 0.901 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001047324924 764002715 /nfs/dbraw/zinc/00/27/15/764002715.db2.gz ZKZLMMZLMOXUBI-FHWLQOOXSA-N 1 1 341.455 0.636 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)CC2)c1 ZINC001052190250 764032159 /nfs/dbraw/zinc/03/21/59/764032159.db2.gz JLIZBAFHVMICRY-INIZCTEOSA-N 1 1 339.403 0.716 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CC3(C)C)C2)C1=O ZINC001047352936 764086886 /nfs/dbraw/zinc/08/68/86/764086886.db2.gz RTEUKXZEJHPWJM-KBXIAJHMSA-N 1 1 335.448 0.323 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CC3(C)C)C2)C1=O ZINC001047352936 764086895 /nfs/dbraw/zinc/08/68/95/764086895.db2.gz RTEUKXZEJHPWJM-KBXIAJHMSA-N 1 1 335.448 0.323 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001047353205 764087603 /nfs/dbraw/zinc/08/76/03/764087603.db2.gz DGPNIQLQFQBDMY-COXVUDFISA-N 1 1 346.431 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccnn3C)CC2)C1=O ZINC001052243988 764121910 /nfs/dbraw/zinc/12/19/10/764121910.db2.gz DXKQFUNTZSDMSU-GOEBONIOSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC(C)(C)C3)C2)C1=O ZINC001047369095 764137732 /nfs/dbraw/zinc/13/77/32/764137732.db2.gz JBVDGWPVFDWWGA-PMPSAXMXSA-N 1 1 349.475 0.713 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC(C)(C)C3)C2)C1=O ZINC001047369095 764137737 /nfs/dbraw/zinc/13/77/37/764137737.db2.gz JBVDGWPVFDWWGA-PMPSAXMXSA-N 1 1 349.475 0.713 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cccc(=O)n2C)C1 ZINC001089865771 764152046 /nfs/dbraw/zinc/15/20/46/764152046.db2.gz UBGZUIPONKTUPA-VGWMRTNUSA-N 1 1 325.412 0.801 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1=O ZINC001030594129 764153260 /nfs/dbraw/zinc/15/32/60/764153260.db2.gz GBKQRMLZLMXTFX-IRXDYDNUSA-N 1 1 348.491 0.694 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047381388 764172927 /nfs/dbraw/zinc/17/29/27/764172927.db2.gz KFYAOXRIBGEBOS-XIRDDKMYSA-N 1 1 334.464 0.668 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001047392856 764198506 /nfs/dbraw/zinc/19/85/06/764198506.db2.gz HFYJMWBSVDXNIH-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001047392856 764198510 /nfs/dbraw/zinc/19/85/10/764198510.db2.gz HFYJMWBSVDXNIH-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001047393219 764199299 /nfs/dbraw/zinc/19/92/99/764199299.db2.gz MZJYRFCGAQUBII-STQMWFEESA-N 1 1 336.440 0.050 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)c1 ZINC001052289230 764200592 /nfs/dbraw/zinc/20/05/92/764200592.db2.gz VRWOVNRUSBYTAU-ZFWWWQNUSA-N 1 1 329.404 0.749 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)CC2)c1 ZINC001052290683 764202370 /nfs/dbraw/zinc/20/23/70/764202370.db2.gz UUHLEEWZPBVHIN-AWEZNQCLSA-N 1 1 327.392 0.762 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001047394452 764202511 /nfs/dbraw/zinc/20/25/11/764202511.db2.gz OIKVMGPSRKJJHT-GJZGRUSLSA-N 1 1 343.387 0.216 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001047396185 764206118 /nfs/dbraw/zinc/20/61/18/764206118.db2.gz VVDFMGZGLNVIAU-RYUDHWBXSA-N 1 1 344.337 0.579 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001047406252 764242406 /nfs/dbraw/zinc/24/24/06/764242406.db2.gz VPLNDMHQQQRRHC-GJZGRUSLSA-N 1 1 327.388 0.407 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001047406252 764242413 /nfs/dbraw/zinc/24/24/13/764242413.db2.gz VPLNDMHQQQRRHC-GJZGRUSLSA-N 1 1 327.388 0.407 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2COCCO2)C1 ZINC000995261192 764242798 /nfs/dbraw/zinc/24/27/98/764242798.db2.gz SQUOIAGICQTLNW-QZTJIDSGSA-N 1 1 343.427 0.781 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC001047409293 764256285 /nfs/dbraw/zinc/25/62/85/764256285.db2.gz RDJJLBHMHYGIFO-GJZGRUSLSA-N 1 1 343.383 0.158 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2cn[nH]c2)C1 ZINC000942681088 764261134 /nfs/dbraw/zinc/26/11/34/764261134.db2.gz DNVAJIJSTDVPGZ-HOTGVXAUSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2cn[nH]c2)C1 ZINC000942681088 764261140 /nfs/dbraw/zinc/26/11/40/764261140.db2.gz DNVAJIJSTDVPGZ-HOTGVXAUSA-N 1 1 343.431 0.570 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001047414942 764274065 /nfs/dbraw/zinc/27/40/65/764274065.db2.gz YDKRWIKXKOZJFQ-FXUDXRNXSA-N 1 1 348.447 0.577 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001047414942 764274068 /nfs/dbraw/zinc/27/40/68/764274068.db2.gz YDKRWIKXKOZJFQ-FXUDXRNXSA-N 1 1 348.447 0.577 20 30 ECEDMO CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106988314 764276188 /nfs/dbraw/zinc/27/61/88/764276188.db2.gz VIBQGEOKJZRBNU-RHSMWYFYSA-N 1 1 345.447 0.663 20 30 ECEDMO CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106988314 764276192 /nfs/dbraw/zinc/27/61/92/764276192.db2.gz VIBQGEOKJZRBNU-RHSMWYFYSA-N 1 1 345.447 0.663 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CCOC)C1 ZINC001047422521 764297801 /nfs/dbraw/zinc/29/78/01/764297801.db2.gz WRXIWABYHSDJLS-HOTGVXAUSA-N 1 1 336.436 0.613 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)CNc2ccncc2C#N)C1 ZINC001106069457 764301095 /nfs/dbraw/zinc/30/10/95/764301095.db2.gz RANWTDQSVULHQL-ZBFHGGJFSA-N 1 1 345.447 0.386 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001047427802 764315013 /nfs/dbraw/zinc/31/50/13/764315013.db2.gz IRVNDHRBVQZAPB-KBMXLJTQSA-N 1 1 330.432 0.606 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001047427802 764315016 /nfs/dbraw/zinc/31/50/16/764315016.db2.gz IRVNDHRBVQZAPB-KBMXLJTQSA-N 1 1 330.432 0.606 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3ccccc3n2)C1 ZINC001047431855 764324149 /nfs/dbraw/zinc/32/41/49/764324149.db2.gz IYQCJIPEQOSALX-HOTGVXAUSA-N 1 1 328.416 0.956 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001212188939 764324184 /nfs/dbraw/zinc/32/41/84/764324184.db2.gz JZZGURLRUBEWKD-RRFJBIMHSA-N 1 1 331.420 0.384 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3ncn(C)c32)C1 ZINC001047432623 764327328 /nfs/dbraw/zinc/32/73/28/764327328.db2.gz CDXYZUZBSQLLEM-HOTGVXAUSA-N 1 1 326.400 0.714 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001047434936 764335923 /nfs/dbraw/zinc/33/59/23/764335923.db2.gz BMQAEGJRGKCWRR-COXVUDFISA-N 1 1 332.448 0.903 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001047434936 764335929 /nfs/dbraw/zinc/33/59/29/764335929.db2.gz BMQAEGJRGKCWRR-COXVUDFISA-N 1 1 332.448 0.903 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001077478657 764346582 /nfs/dbraw/zinc/34/65/82/764346582.db2.gz MBFDMKWYXGPDKU-HUUCEWRRSA-N 1 1 327.388 0.144 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001047441647 764357360 /nfs/dbraw/zinc/35/73/60/764357360.db2.gz KXMTZONYWHQHQL-GJZGRUSLSA-N 1 1 325.372 0.222 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001047441647 764357363 /nfs/dbraw/zinc/35/73/63/764357363.db2.gz KXMTZONYWHQHQL-GJZGRUSLSA-N 1 1 325.372 0.222 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2noc3ccccc23)C1 ZINC001047446786 764372726 /nfs/dbraw/zinc/37/27/26/764372726.db2.gz BNBKWHFCOYFJGV-HOTGVXAUSA-N 1 1 327.384 0.897 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2noc3ccccc23)C1 ZINC001047446786 764372735 /nfs/dbraw/zinc/37/27/35/764372735.db2.gz BNBKWHFCOYFJGV-HOTGVXAUSA-N 1 1 327.384 0.897 20 30 ECEDMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)ncc1=O ZINC001015330591 764388230 /nfs/dbraw/zinc/38/82/30/764388230.db2.gz SYBXBKSOQFKGBP-HNNXBMFYSA-N 1 1 337.383 0.656 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)ncc1=O ZINC001015331009 764388416 /nfs/dbraw/zinc/38/84/16/764388416.db2.gz YCBLDHXAVMTXOC-LLVKDONJSA-N 1 1 343.412 0.718 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)ncc1=O ZINC001015331009 764388425 /nfs/dbraw/zinc/38/84/25/764388425.db2.gz YCBLDHXAVMTXOC-LLVKDONJSA-N 1 1 343.412 0.718 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001047461017 764414093 /nfs/dbraw/zinc/41/40/93/764414093.db2.gz SFYKRBKQCQDKQQ-KBPBESRZSA-N 1 1 330.392 0.057 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cncn3C)[C@@H]2C)nn1 ZINC001088907287 764419869 /nfs/dbraw/zinc/41/98/69/764419869.db2.gz KBZUTOWGCBLPTP-OCCSQVGLSA-N 1 1 329.408 0.590 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cncn3C)[C@@H]2C)nn1 ZINC001088907287 764419873 /nfs/dbraw/zinc/41/98/73/764419873.db2.gz KBZUTOWGCBLPTP-OCCSQVGLSA-N 1 1 329.408 0.590 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(OC)o3)C2)C1=O ZINC001032069309 764446065 /nfs/dbraw/zinc/44/60/65/764446065.db2.gz KBCXTLPSSAVQPU-ZDUSSCGKSA-N 1 1 333.388 0.737 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001047478504 764461739 /nfs/dbraw/zinc/46/17/39/764461739.db2.gz WVOVSLMFPFLMAN-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccnn3)[C@H]2C)C1=O ZINC001088935274 764518568 /nfs/dbraw/zinc/51/85/68/764518568.db2.gz XKWVLJDJQDDSRS-VNHYZAJKSA-N 1 1 329.404 0.456 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cccnn3)[C@H]2C)C1=O ZINC001088935274 764518574 /nfs/dbraw/zinc/51/85/74/764518574.db2.gz XKWVLJDJQDDSRS-VNHYZAJKSA-N 1 1 329.404 0.456 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2-c2cnn(C)c2)C1 ZINC001047500362 764522608 /nfs/dbraw/zinc/52/26/08/764522608.db2.gz DVNCIXOGPGXQCC-HOTGVXAUSA-N 1 1 342.399 0.821 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2-c2cnn(C)c2)C1 ZINC001047500362 764522615 /nfs/dbraw/zinc/52/26/15/764522615.db2.gz DVNCIXOGPGXQCC-HOTGVXAUSA-N 1 1 342.399 0.821 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2CC(N)=O)C1 ZINC001047501746 764528317 /nfs/dbraw/zinc/52/83/17/764528317.db2.gz FJHOREQJXUZVJO-KBPBESRZSA-N 1 1 335.404 0.391 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001054745420 768221454 /nfs/dbraw/zinc/22/14/54/768221454.db2.gz IYJFQVLDFCMNRZ-CHWSQXEVSA-N 1 1 329.408 0.448 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001047519673 764573843 /nfs/dbraw/zinc/57/38/43/764573843.db2.gz LVGKCKOBZJTXRW-HOTGVXAUSA-N 1 1 332.448 0.822 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001047539049 764630281 /nfs/dbraw/zinc/63/02/81/764630281.db2.gz CJCQYLPUKKJNKM-GJZGRUSLSA-N 1 1 328.372 0.810 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001047539049 764630285 /nfs/dbraw/zinc/63/02/85/764630285.db2.gz CJCQYLPUKKJNKM-GJZGRUSLSA-N 1 1 328.372 0.810 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnnn1 ZINC001089879612 764634393 /nfs/dbraw/zinc/63/43/93/764634393.db2.gz DHBLHLIVEAIZAG-FZKCQIBNSA-N 1 1 330.436 0.808 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001052507102 764645150 /nfs/dbraw/zinc/64/51/50/764645150.db2.gz RRJCDUAIODDHMS-LBPRGKRZSA-N 1 1 327.816 0.305 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cnns1 ZINC000943890270 764651955 /nfs/dbraw/zinc/65/19/55/764651955.db2.gz UUAOXWMRJJTDGB-OLZOCXBDSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cnns1 ZINC000943890270 764651965 /nfs/dbraw/zinc/65/19/65/764651965.db2.gz UUAOXWMRJJTDGB-OLZOCXBDSA-N 1 1 347.444 0.357 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2c3ccccc3CC2=O)C1 ZINC001047546199 764653733 /nfs/dbraw/zinc/65/37/33/764653733.db2.gz YNWJCLNNBCJZGY-IRXDYDNUSA-N 1 1 343.427 0.655 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@@H]2O)nn1 ZINC001047557796 764689909 /nfs/dbraw/zinc/68/99/09/764689909.db2.gz MYJNGYSDLZCIMQ-SNPRPXQTSA-N 1 1 337.424 0.006 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)[C@H]1C ZINC001088990167 764715332 /nfs/dbraw/zinc/71/53/32/764715332.db2.gz IBQCEZUQHCQQRT-ABAIWWIYSA-N 1 1 325.368 0.786 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212193415 764716359 /nfs/dbraw/zinc/71/63/59/764716359.db2.gz FBSFLLUXFCCUCA-INMHGKMJSA-N 1 1 336.436 0.371 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212193415 764716364 /nfs/dbraw/zinc/71/63/64/764716364.db2.gz FBSFLLUXFCCUCA-INMHGKMJSA-N 1 1 336.436 0.371 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2C)nc1 ZINC001088990793 764718227 /nfs/dbraw/zinc/71/82/27/764718227.db2.gz QCGVWWRNRCRSJY-DOMZBBRYSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)nc1 ZINC001088990793 764718232 /nfs/dbraw/zinc/71/82/32/764718232.db2.gz QCGVWWRNRCRSJY-DOMZBBRYSA-N 1 1 326.400 0.534 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001052544387 764724583 /nfs/dbraw/zinc/72/45/83/764724583.db2.gz NOSFKSBTKNXBRJ-CQSZACIVSA-N 1 1 334.420 0.660 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)[C@@H]1C ZINC001089006553 764753680 /nfs/dbraw/zinc/75/36/80/764753680.db2.gz LFLNRDFRCYPBEO-PBHICJAKSA-N 1 1 327.428 0.878 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H]1C ZINC001089006553 764753685 /nfs/dbraw/zinc/75/36/85/764753685.db2.gz LFLNRDFRCYPBEO-PBHICJAKSA-N 1 1 327.428 0.878 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001047580778 764762789 /nfs/dbraw/zinc/76/27/89/764762789.db2.gz URWRCEWNNRPKMB-KBMXLJTQSA-N 1 1 349.435 0.008 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001047586507 764785498 /nfs/dbraw/zinc/78/54/98/764785498.db2.gz XFPJCMCPQDSRIE-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015503187 764816613 /nfs/dbraw/zinc/81/66/13/764816613.db2.gz IUIULIGJGMBEKB-GJZGRUSLSA-N 1 1 342.399 0.393 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001015503187 764816620 /nfs/dbraw/zinc/81/66/20/764816620.db2.gz IUIULIGJGMBEKB-GJZGRUSLSA-N 1 1 342.399 0.393 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3csnn3)CC2)C1=O ZINC001052598834 764828688 /nfs/dbraw/zinc/82/86/88/764828688.db2.gz ORJUVUCRSHAMFI-TZMCWYRMSA-N 1 1 349.460 0.909 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)cn1 ZINC001047599194 764836996 /nfs/dbraw/zinc/83/69/96/764836996.db2.gz LQWKCYQAYHKXGY-BZSNNMDCSA-N 1 1 343.427 0.749 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001047600294 764840770 /nfs/dbraw/zinc/84/07/70/764840770.db2.gz OJCIILWSNBMIKT-HOTGVXAUSA-N 1 1 331.416 0.692 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001047600294 764840772 /nfs/dbraw/zinc/84/07/72/764840772.db2.gz OJCIILWSNBMIKT-HOTGVXAUSA-N 1 1 331.416 0.692 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)nc1 ZINC001047601976 764847083 /nfs/dbraw/zinc/84/70/83/764847083.db2.gz SWUQUZICTKBHSE-ROUUACIJSA-N 1 1 343.427 0.749 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001047614263 764885185 /nfs/dbraw/zinc/88/51/85/764885185.db2.gz FCFASBKIFLEZMV-BZSNNMDCSA-N 1 1 328.412 0.655 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001015530586 764898401 /nfs/dbraw/zinc/89/84/01/764898401.db2.gz LWAUYJBNZIXAMR-CVEARBPZSA-N 1 1 326.400 0.870 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1=O ZINC001052640237 764915325 /nfs/dbraw/zinc/91/53/25/764915325.db2.gz FDLGFBALCFNZNM-ZOFXXKQRSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001047628887 764930590 /nfs/dbraw/zinc/93/05/90/764930590.db2.gz NGICPANRMGVCSL-GJZGRUSLSA-N 1 1 329.404 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ncoc2C)C1 ZINC000991969645 764995687 /nfs/dbraw/zinc/99/56/87/764995687.db2.gz GXKQBWCZCNSUEL-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ncoc2C)C1 ZINC000991969645 764995692 /nfs/dbraw/zinc/99/56/92/764995692.db2.gz GXKQBWCZCNSUEL-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)c1 ZINC001052696669 765001518 /nfs/dbraw/zinc/00/15/18/765001518.db2.gz TTYKTOCDUUQJGS-MRXNPFEDSA-N 1 1 340.427 0.926 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001052708065 765020927 /nfs/dbraw/zinc/02/09/27/765020927.db2.gz RTVAOOHUFGKKRH-RWMBFGLXSA-N 1 1 329.828 0.743 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015600625 765036800 /nfs/dbraw/zinc/03/68/00/765036800.db2.gz HJRPFLBWOSDSRF-IAGOWNOFSA-N 1 1 325.412 0.849 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015600625 765036804 /nfs/dbraw/zinc/03/68/04/765036804.db2.gz HJRPFLBWOSDSRF-IAGOWNOFSA-N 1 1 325.412 0.849 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COCCOCC)C2)nn1 ZINC001098785430 768262769 /nfs/dbraw/zinc/26/27/69/768262769.db2.gz TYBWNOORHDSHNF-HNNXBMFYSA-N 1 1 337.424 0.380 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1 ZINC001052783225 765113746 /nfs/dbraw/zinc/11/37/46/765113746.db2.gz BPYRMOPWDXCIEN-GDBMZVCRSA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1 ZINC001052783225 765113748 /nfs/dbraw/zinc/11/37/48/765113748.db2.gz BPYRMOPWDXCIEN-GDBMZVCRSA-N 1 1 326.462 0.948 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1 ZINC001052785911 765119278 /nfs/dbraw/zinc/11/92/78/765119278.db2.gz LPWUOELGCAAUQT-BRWVUGGUSA-N 1 1 330.432 0.892 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccn(C)c3C)C2)C1=O ZINC001015669590 765144987 /nfs/dbraw/zinc/14/49/87/765144987.db2.gz DZCKTGPDNIKSML-GDBMZVCRSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccn(C)c3C)C2)C1=O ZINC001015669590 765144991 /nfs/dbraw/zinc/14/49/91/765144991.db2.gz DZCKTGPDNIKSML-GDBMZVCRSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnon3)CC2)C1=O ZINC001052807807 765160380 /nfs/dbraw/zinc/16/03/80/765160380.db2.gz XNIWXTFVSURKTF-GXTWGEPZSA-N 1 1 333.392 0.441 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001015698317 765184193 /nfs/dbraw/zinc/18/41/93/765184193.db2.gz ITQDSKNHYBCZRD-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001015698317 765184199 /nfs/dbraw/zinc/18/41/99/765184199.db2.gz ITQDSKNHYBCZRD-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001052830303 765193222 /nfs/dbraw/zinc/19/32/22/765193222.db2.gz CWCMAXYSJAMTQX-HOTGVXAUSA-N 1 1 345.447 0.922 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000992026470 765201480 /nfs/dbraw/zinc/20/14/80/765201480.db2.gz BWPFLOMUHPHMMX-QRTARXTBSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@H](OC)C1 ZINC001212195894 765224063 /nfs/dbraw/zinc/22/40/63/765224063.db2.gz HLERFUXNEPCDPN-HZSPNIEDSA-N 1 1 325.409 0.657 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001052946568 765401023 /nfs/dbraw/zinc/40/10/23/765401023.db2.gz VYWMMSZIHOPUIH-KBPBESRZSA-N 1 1 329.466 0.615 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001052947416 765403089 /nfs/dbraw/zinc/40/30/89/765403089.db2.gz PFSGJGIVYLPLKK-CABCVRRESA-N 1 1 343.855 0.957 20 30 ECEDMO CC(C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052989984 765468066 /nfs/dbraw/zinc/46/80/66/765468066.db2.gz GNJPKJKSQWNTTA-IYBDPMFKSA-N 1 1 334.464 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001053008904 765481575 /nfs/dbraw/zinc/48/15/75/765481575.db2.gz UBLXNIRBXSCPOF-GJZGRUSLSA-N 1 1 326.462 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001053008904 765481577 /nfs/dbraw/zinc/48/15/77/765481577.db2.gz UBLXNIRBXSCPOF-GJZGRUSLSA-N 1 1 326.462 0.615 20 30 ECEDMO CN(CCOCCNc1nccnc1C#N)C(=O)[C@@H]1CCC[N@H+]1C ZINC001127233627 765482752 /nfs/dbraw/zinc/48/27/52/765482752.db2.gz VCXJTTZNGVDGKH-AWEZNQCLSA-N 1 1 332.408 0.329 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCOCC3)C2)C1 ZINC001053015072 765487886 /nfs/dbraw/zinc/48/78/86/765487886.db2.gz GQDPBIJDAQJDLQ-ROUUACIJSA-N 1 1 333.476 0.902 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001053019942 765492183 /nfs/dbraw/zinc/49/21/83/765492183.db2.gz PWJGDBQNWMZYPO-HZPDHXFCSA-N 1 1 345.447 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001053037319 765514043 /nfs/dbraw/zinc/51/40/43/765514043.db2.gz YMJQTWSJOTWLEY-IAGOWNOFSA-N 1 1 346.475 0.002 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)C2)cc1 ZINC001015908754 765527713 /nfs/dbraw/zinc/52/77/13/765527713.db2.gz SZGVZPZVCCSIKC-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001053092533 765568128 /nfs/dbraw/zinc/56/81/28/765568128.db2.gz SCEROEMEJLYBKC-JKSUJKDBSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nnn(C)c4C3)CCC[C@H]12 ZINC000992128845 765584864 /nfs/dbraw/zinc/58/48/64/765584864.db2.gz YHGNUANGKQUCSO-RPVQJOFSSA-N 1 1 327.432 0.666 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)c1 ZINC001017704946 768308919 /nfs/dbraw/zinc/30/89/19/768308919.db2.gz SHDHROAVANERIY-CALCHBBNSA-N 1 1 343.427 0.807 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)c1 ZINC001017704946 768308927 /nfs/dbraw/zinc/30/89/27/768308927.db2.gz SHDHROAVANERIY-CALCHBBNSA-N 1 1 343.427 0.807 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)nc1 ZINC001016024942 765728948 /nfs/dbraw/zinc/72/89/48/765728948.db2.gz TVQQSHNTDABJCO-INIZCTEOSA-N 1 1 336.395 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCn3nc(C)nc3C)C2)cn1 ZINC001016031508 765734719 /nfs/dbraw/zinc/73/47/19/765734719.db2.gz QWTBTWHNPPKQBT-QGZVFWFLSA-N 1 1 338.415 0.776 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2nccnc2F)C[C@H]1C ZINC001053227429 765795553 /nfs/dbraw/zinc/79/55/53/765795553.db2.gz DWOOSPOFXALQJJ-KFWWJZLASA-N 1 1 345.422 0.902 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2nccnc2F)C[C@H]1C ZINC001053227429 765795556 /nfs/dbraw/zinc/79/55/56/765795556.db2.gz DWOOSPOFXALQJJ-KFWWJZLASA-N 1 1 345.422 0.902 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ncccn2)C[C@H]1C ZINC001053227377 765795707 /nfs/dbraw/zinc/79/57/07/765795707.db2.gz BOPDBNFJTOBSEJ-OAGGEKHMSA-N 1 1 327.432 0.763 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ncccn2)C[C@H]1C ZINC001053227377 765795713 /nfs/dbraw/zinc/79/57/13/765795713.db2.gz BOPDBNFJTOBSEJ-OAGGEKHMSA-N 1 1 327.432 0.763 20 30 ECEDMO Cc1cc(NC[C@H](O)CNC(=O)C[N@@H+]2CCC[C@H]2C)c(C#N)cn1 ZINC001106108532 765858067 /nfs/dbraw/zinc/85/80/67/765858067.db2.gz KFWGHPCBSATCNH-HIFRSBDPSA-N 1 1 331.420 0.057 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC[C@H](O)CNc2ccc(C#N)cn2)C1 ZINC001106108634 765858226 /nfs/dbraw/zinc/85/82/26/765858226.db2.gz MHHZTOJBXHVGMI-CQSZACIVSA-N 1 1 331.420 0.574 20 30 ECEDMO C=C(C)CCN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263268 765863893 /nfs/dbraw/zinc/86/38/93/765863893.db2.gz JSWIXAHKHUZBGH-SJORKVTESA-N 1 1 349.475 0.729 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)c1cc([C@@H]3CCC[N@H+]3C)[nH]n1)CCO2 ZINC001053263582 765865378 /nfs/dbraw/zinc/86/53/78/765865378.db2.gz PXRAZGTZWYBVOH-INIZCTEOSA-N 1 1 345.447 0.889 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)c1cc([C@@H]3CCC[N@@H+]3C)[nH]n1)CCO2 ZINC001053263582 765865385 /nfs/dbraw/zinc/86/53/85/765865385.db2.gz PXRAZGTZWYBVOH-INIZCTEOSA-N 1 1 345.447 0.889 20 30 ECEDMO C=C(C)CN1CC2(C1)CN(C(=O)[C@H](Cn1cccn1)[NH+](C)C)CCO2 ZINC001053285897 765907534 /nfs/dbraw/zinc/90/75/34/765907534.db2.gz PMLVVUJFOWSYMK-INIZCTEOSA-N 1 1 347.463 0.303 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CCO2 ZINC001053287388 765909839 /nfs/dbraw/zinc/90/98/39/765909839.db2.gz WQMAGCDIHUNPKF-QGZVFWFLSA-N 1 1 347.459 0.176 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001077506771 765951365 /nfs/dbraw/zinc/95/13/65/765951365.db2.gz KENYQPDFRGUDQD-HUUCEWRRSA-N 1 1 348.451 0.460 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CCn1cncn1)CC2 ZINC000992242764 766028330 /nfs/dbraw/zinc/02/83/30/766028330.db2.gz STAQLKLDXKUKDX-CVYDXHPNSA-N 1 1 345.447 0.982 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CN3C(=O)C(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992259573 766085550 /nfs/dbraw/zinc/08/55/50/766085550.db2.gz CLUCDKSKPURZRN-SJKOYZFVSA-N 1 1 348.403 0.096 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CCO2 ZINC001053428959 766116841 /nfs/dbraw/zinc/11/68/41/766116841.db2.gz BEPFJWJPHMGQQU-INIZCTEOSA-N 1 1 342.443 0.690 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(CCN3CCCC3=O)C2)CC1 ZINC001016328293 766122900 /nfs/dbraw/zinc/12/29/00/766122900.db2.gz CFYHQOFQJDUPPU-QGZVFWFLSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001017758895 768350700 /nfs/dbraw/zinc/35/07/00/768350700.db2.gz JJQRISHWVJVPNK-OAGGEKHMSA-N 1 1 327.432 0.847 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001016356025 766178365 /nfs/dbraw/zinc/17/83/65/766178365.db2.gz CITJAGIPDXEOFJ-NRXISQOPSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001016356025 766178369 /nfs/dbraw/zinc/17/83/69/766178369.db2.gz CITJAGIPDXEOFJ-NRXISQOPSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H]2CCNC2=O)CC3)nn1 ZINC000992301215 766200481 /nfs/dbraw/zinc/20/04/81/766200481.db2.gz GHUUCDKUSMWERJ-CPUCHLNUSA-N 1 1 344.419 0.079 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4n[nH]c(=O)n4c3)CCC[C@@H]12 ZINC000992308084 766227726 /nfs/dbraw/zinc/22/77/26/766227726.db2.gz IPJGXDLDIALWNO-DYVFJYSZSA-N 1 1 325.372 0.795 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCCO)CC3)nn1 ZINC000992312481 766239193 /nfs/dbraw/zinc/23/91/93/766239193.db2.gz BLFXPAYZANNYAM-WBVHZDCISA-N 1 1 333.436 0.963 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCN(C)S3(=O)=O)CCC[C@H]12 ZINC000992312359 766242678 /nfs/dbraw/zinc/24/26/78/766242678.db2.gz PMRFEJNROBEPAL-OFQRWUPVSA-N 1 1 339.461 0.157 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001016419738 766264892 /nfs/dbraw/zinc/26/48/92/766264892.db2.gz BGQOIYAEZQYXCZ-UHFFFAOYSA-N 1 1 340.387 0.811 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)c1 ZINC001016433094 766291277 /nfs/dbraw/zinc/29/12/77/766291277.db2.gz XZYJPGIEJRODQL-HUUCEWRRSA-N 1 1 340.383 0.302 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(C#N)n2)C1 ZINC001045767692 766343155 /nfs/dbraw/zinc/34/31/55/766343155.db2.gz YYJSVSVCFLAXBT-RRFJBIMHSA-N 1 1 342.447 0.951 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045768866 766345703 /nfs/dbraw/zinc/34/57/03/766345703.db2.gz SWUXRAXIPGHJST-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@H]12 ZINC000992353868 766357318 /nfs/dbraw/zinc/35/73/18/766357318.db2.gz SVCNTCCLAPYTMT-LPHOPBHVSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cn(C[C@@H]4CCOC4)nn3)CCC[C@H]12 ZINC000992356979 766370906 /nfs/dbraw/zinc/37/09/06/766370906.db2.gz AQEXNKTWKXYXFA-QILLFSRXSA-N 1 1 343.431 0.675 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCn3cncc3C1)O2 ZINC001053617519 766442069 /nfs/dbraw/zinc/44/20/69/766442069.db2.gz AOUSTPSYTHKRGL-WBVHZDCISA-N 1 1 342.443 0.818 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cn1 ZINC000992391536 766459589 /nfs/dbraw/zinc/45/95/89/766459589.db2.gz ISDLIOJLLZAWAC-DLBZAZTESA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3n(n1)CCCO3)O2 ZINC001053630459 766478600 /nfs/dbraw/zinc/47/86/00/766478600.db2.gz JJURISHMKSGANB-AWEZNQCLSA-N 1 1 344.415 0.652 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2nocc2C)C1 ZINC000992406175 766502208 /nfs/dbraw/zinc/50/22/08/766502208.db2.gz IGHBPHSALYPRRY-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2nocc2C)C1 ZINC000992406175 766502213 /nfs/dbraw/zinc/50/22/13/766502213.db2.gz IGHBPHSALYPRRY-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001045984763 766555857 /nfs/dbraw/zinc/55/58/57/766555857.db2.gz IGLKIPSETNMZAU-GDBMZVCRSA-N 1 1 341.477 0.569 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001045988288 766562042 /nfs/dbraw/zinc/56/20/42/766562042.db2.gz MHUUEFJQUDSPKS-RDTXWAMCSA-N 1 1 331.416 0.377 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1OC ZINC001212257994 766597212 /nfs/dbraw/zinc/59/72/12/766597212.db2.gz LFYIKXUGUDPZAZ-BRWVUGGUSA-N 1 1 348.447 0.354 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn3cc[nH]c13)O2 ZINC001053690701 766598232 /nfs/dbraw/zinc/59/82/32/766598232.db2.gz RDTUSQRHMOOTSH-ZDUSSCGKSA-N 1 1 327.388 0.649 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC001046000608 766601166 /nfs/dbraw/zinc/60/11/66/766601166.db2.gz UWZSDMBNSZBVTJ-CQSZACIVSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1OC ZINC001212258182 766602187 /nfs/dbraw/zinc/60/21/87/766602187.db2.gz OJMWNXIQZVWXMN-USXIJHARSA-N 1 1 338.448 0.657 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1OC ZINC001212258509 766608251 /nfs/dbraw/zinc/60/82/51/766608251.db2.gz UXPKKRJJHXJLIN-IACUBPJLSA-N 1 1 330.375 0.885 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccnn3CCC)C2)C1=O ZINC001031702066 766611655 /nfs/dbraw/zinc/61/16/55/766611655.db2.gz NWZUNAXTRBKJAB-MRXNPFEDSA-N 1 1 345.447 0.742 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12 ZINC000992461597 766629179 /nfs/dbraw/zinc/62/91/79/766629179.db2.gz YECSZBSQTFPITH-CRAIPNDOSA-N 1 1 347.463 0.970 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@@H]2O)C1 ZINC001083762885 766645313 /nfs/dbraw/zinc/64/53/13/766645313.db2.gz RZEWKQOAMJVXTO-CABCVRRESA-N 1 1 333.436 0.413 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@@H]2O)C1 ZINC001083762885 766645321 /nfs/dbraw/zinc/64/53/21/766645321.db2.gz RZEWKQOAMJVXTO-CABCVRRESA-N 1 1 333.436 0.413 20 30 ECEDMO COC[C@@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046020346 766662489 /nfs/dbraw/zinc/66/24/89/766662489.db2.gz QUQJMMKWEBFUCX-GDBMZVCRSA-N 1 1 345.447 0.753 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 ZINC001046020732 766663074 /nfs/dbraw/zinc/66/30/74/766663074.db2.gz XFLLDNBJPWYHTQ-JKSUJKDBSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CC3OCCCO3)CC2)C1 ZINC001046024716 766676444 /nfs/dbraw/zinc/67/64/44/766676444.db2.gz QHIINQDIAMVNEV-INIZCTEOSA-N 1 1 337.464 0.934 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(OC)nc2)C1 ZINC000994750927 766687785 /nfs/dbraw/zinc/68/77/85/766687785.db2.gz FEPDAUMYIXIVJO-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(OC)nc2)C1 ZINC000994750927 766687789 /nfs/dbraw/zinc/68/77/89/766687789.db2.gz FEPDAUMYIXIVJO-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)CC1=O ZINC001031711848 766689918 /nfs/dbraw/zinc/68/99/18/766689918.db2.gz MSTIALOGGSTVDE-LBPRGKRZSA-N 1 1 332.429 0.646 20 30 ECEDMO CNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001089622088 766692252 /nfs/dbraw/zinc/69/22/52/766692252.db2.gz DSUNUXWHJSDPDL-ZDUSSCGKSA-N 1 1 331.420 0.853 20 30 ECEDMO CNC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001089622088 766692254 /nfs/dbraw/zinc/69/22/54/766692254.db2.gz DSUNUXWHJSDPDL-ZDUSSCGKSA-N 1 1 331.420 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000994750282 766695214 /nfs/dbraw/zinc/69/52/14/766695214.db2.gz HIPJTDBROKCIOK-AWEZNQCLSA-N 1 1 334.807 0.706 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000994750282 766695221 /nfs/dbraw/zinc/69/52/21/766695221.db2.gz HIPJTDBROKCIOK-AWEZNQCLSA-N 1 1 334.807 0.706 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2ccoc2)C1 ZINC000994752642 766702824 /nfs/dbraw/zinc/70/28/24/766702824.db2.gz UDHFMMSSXOKRLA-INIZCTEOSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2ccoc2)C1 ZINC000994752642 766702834 /nfs/dbraw/zinc/70/28/34/766702834.db2.gz UDHFMMSSXOKRLA-INIZCTEOSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC001046032574 766705989 /nfs/dbraw/zinc/70/59/89/766705989.db2.gz FUDWKJKTCKXCJB-SFHVURJKSA-N 1 1 341.459 0.651 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC001046032490 766706041 /nfs/dbraw/zinc/70/60/41/766706041.db2.gz DPLBLZWWIHTPCW-GOSISDBHSA-N 1 1 341.459 0.651 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3ccn(C)n3)CC2)C1 ZINC001046033194 766708637 /nfs/dbraw/zinc/70/86/37/766708637.db2.gz AJELTYWTWFBJHW-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033437 766708722 /nfs/dbraw/zinc/70/87/22/766708722.db2.gz FSMWKBQRQIHURH-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC000994753492 766710787 /nfs/dbraw/zinc/71/07/87/766710787.db2.gz GYTMCISTMSLRRQ-IRXDYDNUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC000994753492 766710789 /nfs/dbraw/zinc/71/07/89/766710789.db2.gz GYTMCISTMSLRRQ-IRXDYDNUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCCCO2)C1 ZINC000994753495 766711422 /nfs/dbraw/zinc/71/14/22/766711422.db2.gz GYTMCISTMSLRRQ-SJORKVTESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCCCO2)C1 ZINC000994753495 766711428 /nfs/dbraw/zinc/71/14/28/766711428.db2.gz GYTMCISTMSLRRQ-SJORKVTESA-N 1 1 347.459 0.760 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046034430 766714911 /nfs/dbraw/zinc/71/49/11/766714911.db2.gz VNXSMALEQBYVTF-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046035381 766719314 /nfs/dbraw/zinc/71/93/14/766719314.db2.gz KNYVZYGQLQNICL-IAGOWNOFSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(OC)ccn2)C1 ZINC000994755881 766721847 /nfs/dbraw/zinc/72/18/47/766721847.db2.gz SNNJXMSJQBEWFZ-INIZCTEOSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(OC)ccn2)C1 ZINC000994755881 766721852 /nfs/dbraw/zinc/72/18/52/766721852.db2.gz SNNJXMSJQBEWFZ-INIZCTEOSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc4ccnn43)CC2)C1 ZINC001046035643 766723281 /nfs/dbraw/zinc/72/32/81/766723281.db2.gz RFRPWPIEAJZKIP-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccc(OC)c2)C1 ZINC000994756268 766725020 /nfs/dbraw/zinc/72/50/20/766725020.db2.gz WHUMUJOCPAWZAR-KRWDZBQOSA-N 1 1 341.411 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccc(OC)c2)C1 ZINC000994756268 766725025 /nfs/dbraw/zinc/72/50/25/766725025.db2.gz WHUMUJOCPAWZAR-KRWDZBQOSA-N 1 1 341.411 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)c2cncnc2)C1 ZINC000994756283 766726281 /nfs/dbraw/zinc/72/62/81/766726281.db2.gz WQZSQSNEZCVNIW-BBRMVZONSA-N 1 1 341.415 0.005 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)c2cncnc2)C1 ZINC000994756283 766726283 /nfs/dbraw/zinc/72/62/83/766726283.db2.gz WQZSQSNEZCVNIW-BBRMVZONSA-N 1 1 341.415 0.005 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1 ZINC001046037562 766733780 /nfs/dbraw/zinc/73/37/80/766733780.db2.gz SKROVCQUMPZULB-AWEZNQCLSA-N 1 1 333.436 0.832 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC001046039229 766742852 /nfs/dbraw/zinc/74/28/52/766742852.db2.gz OGTUMAKOTBCHBU-CQSZACIVSA-N 1 1 329.404 0.038 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc(C4CC4)cn3)CC2)C1 ZINC001046039916 766745354 /nfs/dbraw/zinc/74/53/54/766745354.db2.gz AOPKYJJYENVKHV-GOSISDBHSA-N 1 1 341.459 0.612 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CCC(C(N)=O)CC3)CC2)C1 ZINC001046041596 766752612 /nfs/dbraw/zinc/75/26/12/766752612.db2.gz SRTCWMIGCZLVGT-OFLPRAFFSA-N 1 1 346.475 0.130 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3coc(OCC)n3)CC2)C1 ZINC001046041699 766753547 /nfs/dbraw/zinc/75/35/47/766753547.db2.gz MVDPIMKIOUCWOX-AWEZNQCLSA-N 1 1 332.404 0.539 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCNC3=O)CC2)C1 ZINC001046042776 766757638 /nfs/dbraw/zinc/75/76/38/766757638.db2.gz MPLBVCIYACNLJZ-INIZCTEOSA-N 1 1 349.479 0.196 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(=O)c(OC)co3)CC2)C1 ZINC001046043572 766762389 /nfs/dbraw/zinc/76/23/89/766762389.db2.gz IJSSXSXCYLFDPJ-CQSZACIVSA-N 1 1 347.415 0.667 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(=O)c(OC)co3)CC2)C1 ZINC001046043954 766764871 /nfs/dbraw/zinc/76/48/71/766764871.db2.gz NWFHCEOAHPVLAG-CQSZACIVSA-N 1 1 345.399 0.114 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001046044822 766768488 /nfs/dbraw/zinc/76/84/88/766768488.db2.gz RUFPJSCKNKRGEO-CQSZACIVSA-N 1 1 344.415 0.234 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](OC)c3cnn(C)c3)CC2)C1 ZINC001046047220 766777167 /nfs/dbraw/zinc/77/71/67/766777167.db2.gz MVPKIKQTBCRYAM-SJORKVTESA-N 1 1 347.463 0.512 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001046048670 766781999 /nfs/dbraw/zinc/78/19/99/766781999.db2.gz BVVUMTXBYJBTHS-GJZGRUSLSA-N 1 1 336.480 0.681 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1 ZINC001046051354 766792266 /nfs/dbraw/zinc/79/22/66/766792266.db2.gz FVANSMKQCPUYJO-AWEZNQCLSA-N 1 1 333.436 0.534 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)CO2 ZINC001053771032 766798762 /nfs/dbraw/zinc/79/87/62/766798762.db2.gz BVHZGQSSSJGTQJ-STQMWFEESA-N 1 1 329.828 0.029 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)CO2 ZINC001053771032 766798768 /nfs/dbraw/zinc/79/87/68/766798768.db2.gz BVHZGQSSSJGTQJ-STQMWFEESA-N 1 1 329.828 0.029 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](CC[C@@H]4CCOC4)C3)C2)[nH]1 ZINC001053772956 766805033 /nfs/dbraw/zinc/80/50/33/766805033.db2.gz ACWJTIZIBUADCZ-UKRRQHHQSA-N 1 1 344.415 0.886 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046055775 766808550 /nfs/dbraw/zinc/80/85/50/766808550.db2.gz QOUYSPVKUAJCJR-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC001046059730 766824689 /nfs/dbraw/zinc/82/46/89/766824689.db2.gz NQKQRKZMRNMBML-HNNXBMFYSA-N 1 1 344.415 0.234 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@H]3CC[N@H+](CC(=O)NC)C3)CC2)C1 ZINC001046060218 766825615 /nfs/dbraw/zinc/82/56/15/766825615.db2.gz XSXLYDITUQCLTB-HNNXBMFYSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC001046064375 766845414 /nfs/dbraw/zinc/84/54/14/766845414.db2.gz LYTCDVOQJZLKHU-QGZVFWFLSA-N 1 1 346.479 0.542 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC#CC)C2)CC1 ZINC001046064915 766846641 /nfs/dbraw/zinc/84/66/41/766846641.db2.gz AXFSIOVACFADET-KSZLIROESA-N 1 1 331.460 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H](C)n3ccnc3)CC2)C1 ZINC001046065541 766847759 /nfs/dbraw/zinc/84/77/59/766847759.db2.gz APGRHVDYVHMWQB-SJORKVTESA-N 1 1 329.448 0.686 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nn(C)c3OC)CC2)C1 ZINC001046067271 766857275 /nfs/dbraw/zinc/85/72/75/766857275.db2.gz WGYXAZBJFOXEQQ-OAHLLOKOSA-N 1 1 347.463 0.755 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@@H]3CC[N@H+](CCC)C3)CC2)nn1 ZINC001046068620 766864701 /nfs/dbraw/zinc/86/47/01/766864701.db2.gz PEJGAZWFPWYINV-OAHLLOKOSA-N 1 1 332.452 0.706 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001046070042 766871057 /nfs/dbraw/zinc/87/10/57/766871057.db2.gz NRZHILXNNMMIRG-HNNXBMFYSA-N 1 1 332.452 0.613 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)CC2)C1 ZINC001046075910 766900537 /nfs/dbraw/zinc/90/05/37/766900537.db2.gz IDQDWDVRCVUULS-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC001046076218 766902774 /nfs/dbraw/zinc/90/27/74/766902774.db2.gz KRQLNPDRZSEJMV-NVXWUHKLSA-N 1 1 343.475 0.919 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)COc3ccsc3)CC2)C1 ZINC001046076540 766904102 /nfs/dbraw/zinc/90/41/02/766904102.db2.gz NPJYHAJZIOPMGV-OAHLLOKOSA-N 1 1 333.457 0.979 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3conc3COC)CC2)C1 ZINC001046077149 766906416 /nfs/dbraw/zinc/90/64/16/766906416.db2.gz KZSGJFOJJVVURL-OAHLLOKOSA-N 1 1 346.431 0.676 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccn3nnnc13)CO2 ZINC001053814860 766913061 /nfs/dbraw/zinc/91/30/61/766913061.db2.gz XYUAXJVCKHRIKU-ZDUSSCGKSA-N 1 1 342.403 0.664 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046081526 766919149 /nfs/dbraw/zinc/91/91/49/766919149.db2.gz MAVJLHGAXYNXAR-IAGOWNOFSA-N 1 1 346.475 0.287 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CN(CC)CCO3)CC2)C1 ZINC001046087653 766930047 /nfs/dbraw/zinc/93/00/47/766930047.db2.gz YSUXPQLFJZUSOJ-IRXDYDNUSA-N 1 1 336.480 0.112 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CC)n(C)n3)CC2)C1 ZINC001046089881 766932022 /nfs/dbraw/zinc/93/20/22/766932022.db2.gz KNQSHHANOYODRI-KRWDZBQOSA-N 1 1 343.475 0.838 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3n[nH]nc3n1)CO2 ZINC001053824218 766946871 /nfs/dbraw/zinc/94/68/71/766946871.db2.gz WYJNHDLOULCMDS-LBPRGKRZSA-N 1 1 342.403 0.892 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)CC[N@H+](C)CC)C2)CCC1 ZINC001046119707 766947889 /nfs/dbraw/zinc/94/78/89/766947889.db2.gz HJPJAPLIULHXEF-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)CO2 ZINC001053827185 766954805 /nfs/dbraw/zinc/95/48/05/766954805.db2.gz SXVDJQANRCLIPL-GJZGRUSLSA-N 1 1 328.416 0.743 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C(N)=O)cn1C ZINC001089665757 766957481 /nfs/dbraw/zinc/95/74/81/766957481.db2.gz DQZCRLHHWCQQFK-AWEZNQCLSA-N 1 1 330.432 0.978 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3n[nH]nc3c1)CO2 ZINC001053831202 766966214 /nfs/dbraw/zinc/96/62/14/766966214.db2.gz WGLXTGBPWDEQFP-LBPRGKRZSA-N 1 1 328.376 0.502 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2conc2CC)C1 ZINC001031740406 766983663 /nfs/dbraw/zinc/98/36/63/766983663.db2.gz BJCPXKPALYBTMY-KRWDZBQOSA-N 1 1 330.432 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2conc2CC)C1 ZINC001031740406 766983667 /nfs/dbraw/zinc/98/36/67/766983667.db2.gz BJCPXKPALYBTMY-KRWDZBQOSA-N 1 1 330.432 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cnc(C)nc2)C1 ZINC001031740594 766985743 /nfs/dbraw/zinc/98/57/43/766985743.db2.gz GLJWPHVOMDGITO-KRWDZBQOSA-N 1 1 327.432 0.431 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cnc(C)nc2)C1 ZINC001031740594 766985750 /nfs/dbraw/zinc/98/57/50/766985750.db2.gz GLJWPHVOMDGITO-KRWDZBQOSA-N 1 1 327.432 0.431 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cncc(OC)n2)C1 ZINC001031742780 767006657 /nfs/dbraw/zinc/00/66/57/767006657.db2.gz QOSKGPNKJNXHHC-INIZCTEOSA-N 1 1 343.431 0.131 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cncc(OC)n2)C1 ZINC001031742780 767006663 /nfs/dbraw/zinc/00/66/63/767006663.db2.gz QOSKGPNKJNXHHC-INIZCTEOSA-N 1 1 343.431 0.131 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCn3ccnc3C1)CO2 ZINC001053852658 767024514 /nfs/dbraw/zinc/02/45/14/767024514.db2.gz OJGVKYGDVRMTID-HUUCEWRRSA-N 1 1 330.432 0.981 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)CN1CCCNC1=O)CO2 ZINC001053857644 767043036 /nfs/dbraw/zinc/04/30/36/767043036.db2.gz KCKKIPSFEBJPCM-AWEZNQCLSA-N 1 1 336.436 0.327 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000994857808 767060126 /nfs/dbraw/zinc/06/01/26/767060126.db2.gz DFGAIXXMMSINLE-PWSUYJOCSA-N 1 1 328.380 0.098 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2O)c1 ZINC001083765413 767066280 /nfs/dbraw/zinc/06/62/80/767066280.db2.gz CFFXWLCRJFZPPA-BBWFWOEESA-N 1 1 329.400 0.407 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046224455 767092641 /nfs/dbraw/zinc/09/26/41/767092641.db2.gz SKCKLURKXUMYBK-CRAIPNDOSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046224455 767092646 /nfs/dbraw/zinc/09/26/46/767092646.db2.gz SKCKLURKXUMYBK-CRAIPNDOSA-N 1 1 341.415 0.867 20 30 ECEDMO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046248364 767107151 /nfs/dbraw/zinc/10/71/51/767107151.db2.gz OLCWDTVLKQSUOR-MRXNPFEDSA-N 1 1 330.392 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cncn2C)C1 ZINC000938756531 767107213 /nfs/dbraw/zinc/10/72/13/767107213.db2.gz RBPWTWHXPRNLHU-CABCVRRESA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cncn2C)C1 ZINC000938756531 767107217 /nfs/dbraw/zinc/10/72/17/767107217.db2.gz RBPWTWHXPRNLHU-CABCVRRESA-N 1 1 343.431 0.191 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3nccc(C)n3)C2)C1=O ZINC001046280101 767123715 /nfs/dbraw/zinc/12/37/15/767123715.db2.gz HIZDTBOQNHUADS-KSSFIOAISA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3nccc(C)n3)C2)C1=O ZINC001046280101 767123717 /nfs/dbraw/zinc/12/37/17/767123717.db2.gz HIZDTBOQNHUADS-KSSFIOAISA-N 1 1 343.431 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001016888489 767131212 /nfs/dbraw/zinc/13/12/12/767131212.db2.gz YEKYHOWWNQUBTM-RMGMUHOQSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001016888489 767131219 /nfs/dbraw/zinc/13/12/19/767131219.db2.gz YEKYHOWWNQUBTM-RMGMUHOQSA-N 1 1 345.443 0.082 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC001089731210 767133924 /nfs/dbraw/zinc/13/39/24/767133924.db2.gz NEOHVTJGHGEYLR-LBPRGKRZSA-N 1 1 331.420 0.982 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCNC3=O)C2)s1 ZINC001031749615 767146146 /nfs/dbraw/zinc/14/61/46/767146146.db2.gz XZBKXTXCRIOTDO-CQSZACIVSA-N 1 1 332.429 0.694 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046320976 767146141 /nfs/dbraw/zinc/14/61/41/767146141.db2.gz MPRNDNJPXNHQBN-CXAGYDPISA-N 1 1 329.404 0.367 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCC1=O ZINC001089769480 767151364 /nfs/dbraw/zinc/15/13/64/767151364.db2.gz MUNRLVYESSJUFO-NXOAAHMSSA-N 1 1 329.444 0.801 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC001089782467 767168525 /nfs/dbraw/zinc/16/85/25/767168525.db2.gz XWFVSSBCEVLZNW-YJNKXOJESA-N 1 1 326.462 0.776 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CN=NC1=O ZINC001089794326 767215808 /nfs/dbraw/zinc/21/58/08/767215808.db2.gz DCDCARRHSXMDIZ-XGUBFFRZSA-N 1 1 331.420 0.729 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1ccnn1 ZINC001089804910 767230993 /nfs/dbraw/zinc/23/09/93/767230993.db2.gz XPTVSWOZLRKPDE-HZMVEIRTSA-N 1 1 327.432 0.860 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CS(=O)(=O)C1 ZINC001089806637 767234209 /nfs/dbraw/zinc/23/42/09/767234209.db2.gz RJADYCBJSBHSCD-UKMLZYKCSA-N 1 1 336.457 0.223 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCC(=O)NC3)C2)c1 ZINC001031804316 767237412 /nfs/dbraw/zinc/23/74/12/767237412.db2.gz XDQWNTHLMUETHV-INIZCTEOSA-N 1 1 326.400 0.632 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@H](OC)C1 ZINC001212339029 767260380 /nfs/dbraw/zinc/26/03/80/767260380.db2.gz WKYSXONVUZLWJF-ZIAGYGMSSA-N 1 1 341.358 0.991 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@H](OC)C1 ZINC001212339029 767260382 /nfs/dbraw/zinc/26/03/82/767260382.db2.gz WKYSXONVUZLWJF-ZIAGYGMSSA-N 1 1 341.358 0.991 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001046531329 767282460 /nfs/dbraw/zinc/28/24/60/767282460.db2.gz NEPCRFXVOIKYLO-PBHICJAKSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001046531329 767282462 /nfs/dbraw/zinc/28/24/62/767282462.db2.gz NEPCRFXVOIKYLO-PBHICJAKSA-N 1 1 331.420 0.699 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046538498 767289178 /nfs/dbraw/zinc/28/91/78/767289178.db2.gz KEJSVNCVDWCCTR-MAUKXSAKSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2n[nH]nc2n1 ZINC001089818602 767296471 /nfs/dbraw/zinc/29/64/71/767296471.db2.gz WJEWMXHJDWRBBA-JFILPPLUSA-N 1 1 336.399 0.769 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001046549852 767298869 /nfs/dbraw/zinc/29/88/69/767298869.db2.gz ADYLVIGHTOXTSP-RDTXWAMCSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001046549852 767298872 /nfs/dbraw/zinc/29/88/72/767298872.db2.gz ADYLVIGHTOXTSP-RDTXWAMCSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@]2(C)C1 ZINC000992680888 767304809 /nfs/dbraw/zinc/30/48/09/767304809.db2.gz TWLBTDSHLUHCET-PASDCYSWSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@]2(C)C1 ZINC000992680888 767304814 /nfs/dbraw/zinc/30/48/14/767304814.db2.gz TWLBTDSHLUHCET-PASDCYSWSA-N 1 1 347.459 0.426 20 30 ECEDMO C=CCCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053904397 767312712 /nfs/dbraw/zinc/31/27/12/767312712.db2.gz NBDCWHPXBRKTBU-CVEARBPZSA-N 1 1 337.464 0.631 20 30 ECEDMO C=CCCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053904397 767312719 /nfs/dbraw/zinc/31/27/19/767312719.db2.gz NBDCWHPXBRKTBU-CVEARBPZSA-N 1 1 337.464 0.631 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc2n(n1)CCO2 ZINC001089821750 767331010 /nfs/dbraw/zinc/33/10/10/767331010.db2.gz YBRSBPPXLDYFBB-FQLMCAECSA-N 1 1 326.400 0.691 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046589471 767342155 /nfs/dbraw/zinc/34/21/55/767342155.db2.gz VTRZBCYTYYVIIC-WMLDXEAASA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046589471 767342164 /nfs/dbraw/zinc/34/21/64/767342164.db2.gz VTRZBCYTYYVIIC-WMLDXEAASA-N 1 1 345.378 0.459 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncn(C)c1=O ZINC001089826324 767348646 /nfs/dbraw/zinc/34/86/46/767348646.db2.gz GNASNBLTBAORDS-JONQDZQNSA-N 1 1 345.447 0.327 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(=O)n1C)CO2 ZINC001053921992 767365283 /nfs/dbraw/zinc/36/52/83/767365283.db2.gz SNHFMEUKHAGANB-CQSZACIVSA-N 1 1 331.416 0.925 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001089829221 767367458 /nfs/dbraw/zinc/36/74/58/767367458.db2.gz UQFJMPBWADMPJV-YXWQFLTLSA-N 1 1 328.416 0.749 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1COC3(CN(CC#N)C3)C1)C2 ZINC001053923933 767369930 /nfs/dbraw/zinc/36/99/30/767369930.db2.gz GOXATTQFQRTRIJ-KBPBESRZSA-N 1 1 329.404 0.237 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106147552 767372262 /nfs/dbraw/zinc/37/22/62/767372262.db2.gz QUAQVYSMPNAZTM-DZGCQCFKSA-N 1 1 349.410 0.856 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)CO2 ZINC001053925141 767375496 /nfs/dbraw/zinc/37/54/96/767375496.db2.gz AVHAYUUUEJHIDZ-QLFBSQMISA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccnnc3)C2)C1=O ZINC001046655085 767422628 /nfs/dbraw/zinc/42/26/28/767422628.db2.gz LGXUDNYDMRUPAN-RHSMWYFYSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccnnc3)C2)C1=O ZINC001046655085 767422632 /nfs/dbraw/zinc/42/26/32/767422632.db2.gz LGXUDNYDMRUPAN-RHSMWYFYSA-N 1 1 329.404 0.458 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001106158460 767424462 /nfs/dbraw/zinc/42/44/62/767424462.db2.gz TZMPJSCZULQINC-LSDHHAIUSA-N 1 1 331.420 0.139 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)cn1C ZINC001089836265 767432008 /nfs/dbraw/zinc/43/20/08/767432008.db2.gz YTUSKHSOMCNPGA-HNKHHVNMSA-N 1 1 340.427 0.540 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2COC3(C[NH+](C[C@H](CC)OC)C3)C2)nn1 ZINC001053949469 767432105 /nfs/dbraw/zinc/43/21/05/767432105.db2.gz IHKVQLXQVYURKJ-KGLIPLIRSA-N 1 1 349.435 0.462 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001046681637 767471518 /nfs/dbraw/zinc/47/15/18/767471518.db2.gz QQPLUZRJDUQSDC-LRDDRELGSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001046681637 767471522 /nfs/dbraw/zinc/47/15/22/767471522.db2.gz QQPLUZRJDUQSDC-LRDDRELGSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](CCc3cnn(C)c3)C2)nn1 ZINC001046682102 767472543 /nfs/dbraw/zinc/47/25/43/767472543.db2.gz VWDJHNBOCHSKKZ-QGZVFWFLSA-N 1 1 343.435 0.635 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001106170676 767482018 /nfs/dbraw/zinc/48/20/18/767482018.db2.gz VMXUASRQXYXYAP-CABCVRRESA-N 1 1 346.435 0.358 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001106170831 767482841 /nfs/dbraw/zinc/48/28/41/767482841.db2.gz XARWCHJVEOSPIM-RDJZCZTQSA-N 1 1 345.447 0.385 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001046686697 767483417 /nfs/dbraw/zinc/48/34/17/767483417.db2.gz AAVRSABVMZPHLL-GUYCJALGSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001046686697 767483420 /nfs/dbraw/zinc/48/34/20/767483420.db2.gz AAVRSABVMZPHLL-GUYCJALGSA-N 1 1 331.420 0.699 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001046690159 767487104 /nfs/dbraw/zinc/48/71/04/767487104.db2.gz AJMIULDRAIMHKE-GDBMZVCRSA-N 1 1 349.475 0.620 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046690704 767488290 /nfs/dbraw/zinc/48/82/90/767488290.db2.gz DALBKXZXISDFBB-ZIAGYGMSSA-N 1 1 337.464 0.476 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046690698 767488523 /nfs/dbraw/zinc/48/85/23/767488523.db2.gz DALBKXZXISDFBB-KBPBESRZSA-N 1 1 337.464 0.476 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3n[nH]nc3C1)CO2 ZINC001053981384 767522576 /nfs/dbraw/zinc/52/25/76/767522576.db2.gz JPCYYMPUZAIVBQ-ZIAGYGMSSA-N 1 1 345.447 0.835 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccncn3)C2)C1=O ZINC001046709976 767523707 /nfs/dbraw/zinc/52/37/07/767523707.db2.gz SMJQSICXNJJDOZ-YOEHRIQHSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccncn3)C2)C1=O ZINC001046709976 767523711 /nfs/dbraw/zinc/52/37/11/767523711.db2.gz SMJQSICXNJJDOZ-YOEHRIQHSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3oncc3C)C2)C1=O ZINC001046745617 767578829 /nfs/dbraw/zinc/57/88/29/767578829.db2.gz POOJHCSWILCHNO-GUYCJALGSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3oncc3C)C2)C1=O ZINC001046745617 767578834 /nfs/dbraw/zinc/57/88/34/767578834.db2.gz POOJHCSWILCHNO-GUYCJALGSA-N 1 1 332.404 0.964 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001046752680 767589425 /nfs/dbraw/zinc/58/94/25/767589425.db2.gz HHXICTRJMJLOOX-FRFSOERESA-N 1 1 343.431 0.321 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001046752680 767589431 /nfs/dbraw/zinc/58/94/31/767589431.db2.gz HHXICTRJMJLOOX-FRFSOERESA-N 1 1 343.431 0.321 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@H]1CCNC1=O ZINC001017107422 767596198 /nfs/dbraw/zinc/59/61/98/767596198.db2.gz RWKWIBHAMVBISL-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@@H]1CCNC1=O ZINC001017107423 767596257 /nfs/dbraw/zinc/59/62/57/767596257.db2.gz RWKWIBHAMVBISL-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3nocc3C)C2)C1=O ZINC001046760103 767603269 /nfs/dbraw/zinc/60/32/69/767603269.db2.gz NAGCEUSWJQBNFA-GUYCJALGSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3nocc3C)C2)C1=O ZINC001046760103 767603273 /nfs/dbraw/zinc/60/32/73/767603273.db2.gz NAGCEUSWJQBNFA-GUYCJALGSA-N 1 1 332.404 0.964 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@H]1CCCNC1=O ZINC001017110173 767603608 /nfs/dbraw/zinc/60/36/08/767603608.db2.gz ZBFSRZRGUHUZGF-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3csc(=O)[nH]3)[C@@H](O)C2)cc1 ZINC001083713420 767648760 /nfs/dbraw/zinc/64/87/60/767648760.db2.gz VTMQZQGSECYDSE-OCCSQVGLSA-N 1 1 344.396 0.695 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3csc(=O)[nH]3)[C@@H](O)C2)cc1 ZINC001083713420 767648762 /nfs/dbraw/zinc/64/87/62/767648762.db2.gz VTMQZQGSECYDSE-OCCSQVGLSA-N 1 1 344.396 0.695 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](CCN3C(=O)CCC3=O)C2)C1 ZINC001054099496 767686311 /nfs/dbraw/zinc/68/63/11/767686311.db2.gz JJUIDVPEKSQAQC-RDTXWAMCSA-N 1 1 346.431 0.610 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001054118554 767705676 /nfs/dbraw/zinc/70/56/76/767705676.db2.gz LHTWZGPNBIGTER-ACJLOTCBSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054160303 767757265 /nfs/dbraw/zinc/75/72/65/767757265.db2.gz BGTPNJFFFHBPKJ-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054160303 767757268 /nfs/dbraw/zinc/75/72/68/767757268.db2.gz BGTPNJFFFHBPKJ-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cnc3c(c1)nnn3C)C2 ZINC001054165576 767764505 /nfs/dbraw/zinc/76/45/05/767764505.db2.gz KPFCFANBQYBJEN-SFHVURJKSA-N 1 1 338.415 0.925 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)C1 ZINC000992896966 767764719 /nfs/dbraw/zinc/76/47/19/767764719.db2.gz PJHWORDQHKIWQO-JTDSTZFVSA-N 1 1 329.444 0.658 20 30 ECEDMO N#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001054168722 767765094 /nfs/dbraw/zinc/76/50/94/767765094.db2.gz HTJJNLXCMANNMQ-YDXUJSMASA-N 1 1 344.459 0.688 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C(N)=O)C3)c(F)c1 ZINC001054188924 767789942 /nfs/dbraw/zinc/78/99/42/767789942.db2.gz WVHCYFBSDNEARH-GOSISDBHSA-N 1 1 344.390 0.997 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001054211232 767808085 /nfs/dbraw/zinc/80/80/85/767808085.db2.gz JASFPZRGPWEAJE-ZVZYQTTQSA-N 1 1 335.448 0.767 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)nn1 ZINC001054210674 767808481 /nfs/dbraw/zinc/80/84/81/767808481.db2.gz UPYJDKMMIGTRQP-DYVFJYSZSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001054224950 767831145 /nfs/dbraw/zinc/83/11/45/767831145.db2.gz NKYGEEJOGUGIET-QGZVFWFLSA-N 1 1 334.420 0.429 20 30 ECEDMO Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C3)n1 ZINC001054903826 768405615 /nfs/dbraw/zinc/40/56/15/768405615.db2.gz SZQYVRPBITUKIO-FXUDXRNXSA-N 1 1 340.431 0.977 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993200685 768455825 /nfs/dbraw/zinc/45/58/25/768455825.db2.gz NXGXHENVHULUBI-DOMZBBRYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993200685 768455832 /nfs/dbraw/zinc/45/58/32/768455832.db2.gz NXGXHENVHULUBI-DOMZBBRYSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001017940459 768528359 /nfs/dbraw/zinc/52/83/59/768528359.db2.gz UXABBCRLLKKLQD-XUWVNRHRSA-N 1 1 333.432 0.321 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001017940459 768528361 /nfs/dbraw/zinc/52/83/61/768528361.db2.gz UXABBCRLLKKLQD-XUWVNRHRSA-N 1 1 333.432 0.321 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1C ZINC001106625394 768528883 /nfs/dbraw/zinc/52/88/83/768528883.db2.gz KGWCQMADPRDECU-FRRDWIJNSA-N 1 1 349.435 0.114 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001017940923 768529312 /nfs/dbraw/zinc/52/93/12/768529312.db2.gz ZPRPEODXJSXCIU-XUWVNRHRSA-N 1 1 335.448 0.874 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001017940923 768529315 /nfs/dbraw/zinc/52/93/15/768529315.db2.gz ZPRPEODXJSXCIU-XUWVNRHRSA-N 1 1 335.448 0.874 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N(C)CCOCCNc1ccc(C#N)nn1 ZINC001127368685 768563044 /nfs/dbraw/zinc/56/30/44/768563044.db2.gz GEOHWSZDQWEPOX-UHFFFAOYSA-N 1 1 334.424 0.577 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001055250735 768709520 /nfs/dbraw/zinc/70/95/20/768709520.db2.gz KXYKNTSYYZOXON-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055313276 768768613 /nfs/dbraw/zinc/76/86/13/768768613.db2.gz JIVOBWKSTYZBPO-YIOZNXECSA-N 1 1 349.475 0.572 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001055313289 768768795 /nfs/dbraw/zinc/76/87/95/768768795.db2.gz JZUGKTWATCRMPB-RVKKMQEKSA-N 1 1 337.464 0.572 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@@H]2C1 ZINC001055338173 768794452 /nfs/dbraw/zinc/79/44/52/768794452.db2.gz PAWPLKSKWTVDDP-NCOADZHNSA-N 1 1 347.459 0.141 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001055340829 768798421 /nfs/dbraw/zinc/79/84/21/768798421.db2.gz XJWDSGSLZAVQTH-CWRNSKLLSA-N 1 1 344.415 0.147 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001055359731 768813315 /nfs/dbraw/zinc/81/33/15/768813315.db2.gz ZHTVXBIMKXVDPV-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001055359731 768813320 /nfs/dbraw/zinc/81/33/20/768813320.db2.gz ZHTVXBIMKXVDPV-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]21 ZINC001042063457 782702424 /nfs/dbraw/zinc/70/24/24/782702424.db2.gz XFRDYMSAEPIVIJ-KGLIPLIRSA-N 1 1 333.432 0.880 20 30 ECEDMO CC(C)(C)C#CC(=O)NC1CC[NH+](CCNC(=O)C(F)F)CC1 ZINC001055478880 768897762 /nfs/dbraw/zinc/89/77/62/768897762.db2.gz CTINORYCAMMBOJ-UHFFFAOYSA-N 1 1 329.391 0.998 20 30 ECEDMO C=CCO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(F)F)CC1 ZINC001055486659 768916985 /nfs/dbraw/zinc/91/69/85/768916985.db2.gz ZQFFRVAEMWIPSR-NSHDSACASA-N 1 1 333.379 0.539 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cnn(C)c2)CC1 ZINC001055514469 768983816 /nfs/dbraw/zinc/98/38/16/768983816.db2.gz HKQRZPRHPICLLP-UHFFFAOYSA-N 1 1 345.447 0.390 20 30 ECEDMO C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCOCC1)Nc1nccnc1C#N ZINC001089353591 769009521 /nfs/dbraw/zinc/00/95/21/769009521.db2.gz BORKZECNPZELFC-UONOGXRCSA-N 1 1 346.435 0.766 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001042075209 782717135 /nfs/dbraw/zinc/71/71/35/782717135.db2.gz AWFZTZOFHCKYON-GJZGRUSLSA-N 1 1 344.463 0.917 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCC(Nc3ccncc3C#N)CC2)C1 ZINC001060583581 769067856 /nfs/dbraw/zinc/06/78/56/769067856.db2.gz HMIRANSDUQRPLT-VMBOVVBDSA-N 1 1 343.431 0.545 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CCC(Nc3ccncc3C#N)CC2)C1 ZINC001060583581 769067865 /nfs/dbraw/zinc/06/78/65/769067865.db2.gz HMIRANSDUQRPLT-VMBOVVBDSA-N 1 1 343.431 0.545 20 30 ECEDMO Cc1ocnc1C(=O)NC1CC[NH+](CCNC(=O)C#CC(C)C)CC1 ZINC001055572254 769148405 /nfs/dbraw/zinc/14/84/05/769148405.db2.gz AJAHVDVSLKKISX-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)CC1 ZINC001018359941 769192332 /nfs/dbraw/zinc/19/23/32/769192332.db2.gz RFOCFRDKQVXLBB-OAHLLOKOSA-N 1 1 343.431 0.429 20 30 ECEDMO C#CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001018363853 769203308 /nfs/dbraw/zinc/20/33/08/769203308.db2.gz PMDOYBNSFIVKJM-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2nonc2C)CC1 ZINC001055595975 769213074 /nfs/dbraw/zinc/21/30/74/769213074.db2.gz MNDVUZYRCDRFCI-UHFFFAOYSA-N 1 1 335.408 0.655 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ncc[nH]3)C2)CC1 ZINC001018367792 769218115 /nfs/dbraw/zinc/21/81/15/769218115.db2.gz UONNYZDIZHCNHM-HNNXBMFYSA-N 1 1 345.447 0.982 20 30 ECEDMO C=CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cnn(C)n2)CC1 ZINC001055600503 769228829 /nfs/dbraw/zinc/22/88/29/769228829.db2.gz YUZKKZKJKKYSMK-UHFFFAOYSA-N 1 1 348.451 0.482 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnco3)C2)CC1 ZINC001018371767 769230293 /nfs/dbraw/zinc/23/02/93/769230293.db2.gz ZGKSIICPTICGAL-HNNXBMFYSA-N 1 1 344.415 0.694 20 30 ECEDMO C[NH+](C)CCCC(=O)NCCN1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055625860 769291676 /nfs/dbraw/zinc/29/16/76/769291676.db2.gz KWSGFEJHSDABPV-UHFFFAOYSA-N 1 1 348.491 0.438 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001055626112 769292764 /nfs/dbraw/zinc/29/27/64/769292764.db2.gz PLBQOOPQHWJUJN-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO Cc1nocc1C(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055631269 769302405 /nfs/dbraw/zinc/30/24/05/769302405.db2.gz DWBUMLAIULEQRW-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001055630921 769302485 /nfs/dbraw/zinc/30/24/85/769302485.db2.gz AIPHRJKUAVMVRF-AWEZNQCLSA-N 1 1 337.468 0.185 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC000993586456 769311097 /nfs/dbraw/zinc/31/10/97/769311097.db2.gz FFXPOMBMWCTLDK-HUUCEWRRSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC(N)=O)[C@H]1C ZINC000993562083 769319378 /nfs/dbraw/zinc/31/93/78/769319378.db2.gz DKRTUQIXUUCTBJ-UKRRQHHQSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC(N)=O)[C@H]1C ZINC000993562083 769319387 /nfs/dbraw/zinc/31/93/87/769319387.db2.gz DKRTUQIXUUCTBJ-UKRRQHHQSA-N 1 1 329.400 0.767 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC000993624981 769436984 /nfs/dbraw/zinc/43/69/84/769436984.db2.gz RUAFUGGABFIDHI-HIFRSBDPSA-N 1 1 339.403 0.663 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)[C@@H](O)C1 ZINC001083740973 769484154 /nfs/dbraw/zinc/48/41/54/769484154.db2.gz VJMGPBOLFZSZDM-SJORKVTESA-N 1 1 327.384 0.975 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC001078358289 782767258 /nfs/dbraw/zinc/76/72/58/782767258.db2.gz NCUTUJKHYGSVQT-QWHCGFSZSA-N 1 1 348.451 0.969 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000993843861 769740616 /nfs/dbraw/zinc/74/06/16/769740616.db2.gz KVCLIWPIUACIDV-OKILXGFUSA-N 1 1 340.427 0.876 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CCC(Nc3ccnc(C#N)n3)CC2)C1 ZINC001060624308 769807860 /nfs/dbraw/zinc/80/78/60/769807860.db2.gz YAWLRCGEBNABOE-WLYUNCDWSA-N 1 1 342.447 0.951 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1C ZINC001018731264 769820937 /nfs/dbraw/zinc/82/09/37/769820937.db2.gz SRBPNGJZAYDAKP-LBPRGKRZSA-N 1 1 327.392 0.582 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001055823586 769856799 /nfs/dbraw/zinc/85/67/99/769856799.db2.gz GGCLQFWDZXKCLX-KRWDZBQOSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ncc[nH]2)[C@H](C)C1 ZINC000993978257 769953867 /nfs/dbraw/zinc/95/38/67/769953867.db2.gz JYNJODFROQUPIU-KFWWJZLASA-N 1 1 343.431 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ncc[nH]2)[C@H](C)C1 ZINC000993978257 769953877 /nfs/dbraw/zinc/95/38/77/769953877.db2.gz JYNJODFROQUPIU-KFWWJZLASA-N 1 1 343.431 0.332 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCCO2)[nH]1 ZINC001078370421 782795063 /nfs/dbraw/zinc/79/50/63/782795063.db2.gz WNUNWMMQSBHDEO-ZDUSSCGKSA-N 1 1 343.391 0.334 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@H]21 ZINC001042118274 782801329 /nfs/dbraw/zinc/80/13/29/782801329.db2.gz WCLSTBBSJJXSLH-GDBMZVCRSA-N 1 1 328.416 0.973 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@@H]21 ZINC001042118635 782801447 /nfs/dbraw/zinc/80/14/47/782801447.db2.gz XTZZSXUTIWENSN-ZBFHGGJFSA-N 1 1 328.416 0.973 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 ZINC001042121946 782806658 /nfs/dbraw/zinc/80/66/58/782806658.db2.gz KLBATYWVMLYZGJ-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H]1C ZINC000994095980 770129730 /nfs/dbraw/zinc/12/97/30/770129730.db2.gz UCLKZHCWLUPWCW-CVEARBPZSA-N 1 1 330.432 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cc[nH]c2)[C@H](C)C1 ZINC000994132889 770166317 /nfs/dbraw/zinc/16/63/17/770166317.db2.gz ZPTNKZDYGGHMNO-OIISXLGYSA-N 1 1 342.443 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cc[nH]c2)[C@H](C)C1 ZINC000994132889 770166322 /nfs/dbraw/zinc/16/63/22/770166322.db2.gz ZPTNKZDYGGHMNO-OIISXLGYSA-N 1 1 342.443 0.937 20 30 ECEDMO N#Cc1cncc(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)n1 ZINC001055912484 770188978 /nfs/dbraw/zinc/18/89/78/770188978.db2.gz KSMZFIGCTZABOL-HOCLYGCPSA-N 1 1 340.431 0.871 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001055912804 770191388 /nfs/dbraw/zinc/19/13/88/770191388.db2.gz SXXKZFOGBQMGPS-VQIMIIECSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H]1C ZINC000994170772 770204240 /nfs/dbraw/zinc/20/42/40/770204240.db2.gz NUFBFRBICKCQGJ-STQMWFEESA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)[C@H]1C ZINC000994239094 770377030 /nfs/dbraw/zinc/37/70/30/770377030.db2.gz JWSJTYDLAOXGRI-IAQYHMDHSA-N 1 1 325.368 0.786 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)[C@H]1C ZINC000994239094 770377041 /nfs/dbraw/zinc/37/70/41/770377041.db2.gz JWSJTYDLAOXGRI-IAQYHMDHSA-N 1 1 325.368 0.786 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC(C)(C)C1 ZINC001089358702 770400664 /nfs/dbraw/zinc/40/06/64/770400664.db2.gz YIIFZMOMTHLSDC-LBPRGKRZSA-N 1 1 331.420 0.853 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1C ZINC000994408236 770752906 /nfs/dbraw/zinc/75/29/06/770752906.db2.gz DPDJSSVDMYPIJP-HUUCEWRRSA-N 1 1 343.493 0.262 20 30 ECEDMO Cc1nnc([C@H](C)[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCCO2)[nH]1 ZINC001078397702 782867180 /nfs/dbraw/zinc/86/71/80/782867180.db2.gz CXTZYVXPFRYPBS-WFASDCNBSA-N 1 1 331.420 0.795 20 30 ECEDMO CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)nn1 ZINC001078397935 782868527 /nfs/dbraw/zinc/86/85/27/782868527.db2.gz HZNMGGKMTMQPAN-QGZVFWFLSA-N 1 1 345.447 0.980 20 30 ECEDMO C[C@H]([NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCCO1)c1nncn1C ZINC001078398285 782869337 /nfs/dbraw/zinc/86/93/37/782869337.db2.gz LYQJAFYTTMKWPX-ZFWWWQNUSA-N 1 1 331.420 0.497 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001056181001 771000814 /nfs/dbraw/zinc/00/08/14/771000814.db2.gz DBFSOWKCZNHQGD-XUWVNRHRSA-N 1 1 341.415 0.143 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001056181001 771000824 /nfs/dbraw/zinc/00/08/24/771000824.db2.gz DBFSOWKCZNHQGD-XUWVNRHRSA-N 1 1 341.415 0.143 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001056253607 771045620 /nfs/dbraw/zinc/04/56/20/771045620.db2.gz LYGJBQXILJTOSS-UTXMOHQDSA-N 1 1 325.416 0.846 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC(C)(C)C1 ZINC001089408369 771084936 /nfs/dbraw/zinc/08/49/36/771084936.db2.gz GORRDZWRZBJMLL-STQMWFEESA-N 1 1 336.436 0.767 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001056302516 771094803 /nfs/dbraw/zinc/09/48/03/771094803.db2.gz UOBDMOKAXLNCHU-QSJFSLAZSA-N 1 1 340.431 0.772 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)CC(C)(C)C1 ZINC001089434200 771169418 /nfs/dbraw/zinc/16/94/18/771169418.db2.gz QTWKTQWPHIGDIW-CQSZACIVSA-N 1 1 330.432 0.978 20 30 ECEDMO CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C#CC(C)C ZINC001212234157 771173240 /nfs/dbraw/zinc/17/32/40/771173240.db2.gz OXLLJZGUWINORH-HZPDHXFCSA-N 1 1 333.436 0.370 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C#CC(C)C ZINC001212234157 771173242 /nfs/dbraw/zinc/17/32/42/771173242.db2.gz OXLLJZGUWINORH-HZPDHXFCSA-N 1 1 333.436 0.370 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001019390942 771240563 /nfs/dbraw/zinc/24/05/63/771240563.db2.gz HGHSUZIOZHODQQ-YJBOKZPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001019390942 771240565 /nfs/dbraw/zinc/24/05/65/771240565.db2.gz HGHSUZIOZHODQQ-YJBOKZPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ncc(C#N)cc4F)C[C@H]32)C1 ZINC001056410418 771241780 /nfs/dbraw/zinc/24/17/80/771241780.db2.gz LBFZXXRACPKAGQ-HVOFVXBASA-N 1 1 343.406 0.985 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001056411815 771243986 /nfs/dbraw/zinc/24/39/86/771243986.db2.gz DFHNLKWOYKDEAU-TXPWEPMLSA-N 1 1 325.416 0.988 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001056451848 771282537 /nfs/dbraw/zinc/28/25/37/771282537.db2.gz ZRBVBGULRKPXMX-OEUWWYETSA-N 1 1 340.431 0.773 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001031569840 771311975 /nfs/dbraw/zinc/31/19/75/771311975.db2.gz JCPGEZKVPDITOB-OAHLLOKOSA-N 1 1 331.420 0.177 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cn(C)nc3C)C2)C1=O ZINC001031588094 771349590 /nfs/dbraw/zinc/34/95/90/771349590.db2.gz QPJZCGOQRMLRFF-OAHLLOKOSA-N 1 1 331.420 0.177 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001019487964 771351938 /nfs/dbraw/zinc/35/19/38/771351938.db2.gz KQTQJXASXXMVTM-BPUTZDHNSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC(C)(C)C1 ZINC001089508741 771372579 /nfs/dbraw/zinc/37/25/79/771372579.db2.gz ZYBQCGBBMNXCPF-STQMWFEESA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089519651 771391910 /nfs/dbraw/zinc/39/19/10/771391910.db2.gz OCTLQHRVJRAQIX-ZDUSSCGKSA-N 1 1 336.436 0.721 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)CC(C)(C)C1 ZINC001089535900 771411798 /nfs/dbraw/zinc/41/17/98/771411798.db2.gz XBRUXEAAWQSTDC-AWEZNQCLSA-N 1 1 348.447 0.558 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056599588 771420196 /nfs/dbraw/zinc/42/01/96/771420196.db2.gz KATJTXOYSRPSGO-OCCSQVGLSA-N 1 1 330.392 0.000 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056599588 771420198 /nfs/dbraw/zinc/42/01/98/771420198.db2.gz KATJTXOYSRPSGO-OCCSQVGLSA-N 1 1 330.392 0.000 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nn1)C(=O)C[N@@H+](C)C1CCC1 ZINC001127515276 771428592 /nfs/dbraw/zinc/42/85/92/771428592.db2.gz QXTGLOQULAWWBQ-UHFFFAOYSA-N 1 1 346.435 0.719 20 30 ECEDMO CN(CCOCCNc1nccnc1C#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001127517377 771439584 /nfs/dbraw/zinc/43/95/84/771439584.db2.gz CKIZATLXIVJTCS-OAHLLOKOSA-N 1 1 346.435 0.719 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)c(C)n3)C2)C1 ZINC001056648127 771467341 /nfs/dbraw/zinc/46/73/41/771467341.db2.gz HPEIGYWKZWHXBD-CVEARBPZSA-N 1 1 343.431 0.995 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)c(C)n3)C2)C1 ZINC001056648127 771467344 /nfs/dbraw/zinc/46/73/44/771467344.db2.gz HPEIGYWKZWHXBD-CVEARBPZSA-N 1 1 343.431 0.995 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC(C)(C)C1 ZINC001089555952 771474294 /nfs/dbraw/zinc/47/42/94/771474294.db2.gz OHAUBNKZUFOKLH-ZDUSSCGKSA-N 1 1 334.420 0.168 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)CC(C)(C)C1 ZINC001089556415 771475554 /nfs/dbraw/zinc/47/55/54/771475554.db2.gz RAEGONGSJQZUFT-CYBMUJFWSA-N 1 1 343.431 0.819 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3csnc3C)C2)C1=O ZINC001031623581 771507316 /nfs/dbraw/zinc/50/73/16/771507316.db2.gz FMFZWQLAWIOKOV-AWEZNQCLSA-N 1 1 334.445 0.900 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(CC(N)=O)CC(C)(C)C2)CC1 ZINC001089564809 771516651 /nfs/dbraw/zinc/51/66/51/771516651.db2.gz JKHLAMJPUWUTEJ-MRXNPFEDSA-N 1 1 348.491 0.424 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245915 771532459 /nfs/dbraw/zinc/53/24/59/771532459.db2.gz FZLOOGYCDPTRNX-IPMKNSEASA-N 1 1 342.439 0.819 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3nccn3CC)C2)C1=O ZINC001031639846 771569482 /nfs/dbraw/zinc/56/94/82/771569482.db2.gz SWJPBSQANHJZED-CQSZACIVSA-N 1 1 331.420 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CCC2)CCCO1 ZINC001019611394 771593160 /nfs/dbraw/zinc/59/31/60/771593160.db2.gz HWNZHRZDDKXIGE-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CCC2)CCCO1 ZINC001019611394 771593165 /nfs/dbraw/zinc/59/31/65/771593165.db2.gz HWNZHRZDDKXIGE-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001056812325 771675959 /nfs/dbraw/zinc/67/59/59/771675959.db2.gz WOKHOMYLCZEIAD-MRVWCRGKSA-N 1 1 330.392 0.080 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001056812325 771675961 /nfs/dbraw/zinc/67/59/61/771675961.db2.gz WOKHOMYLCZEIAD-MRVWCRGKSA-N 1 1 330.392 0.080 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCCN1C(=O)COC ZINC001019702864 771720451 /nfs/dbraw/zinc/72/04/51/771720451.db2.gz QYBWKGCSFGVQEM-CVEARBPZSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCCN1C(=O)COC ZINC001019702864 771720452 /nfs/dbraw/zinc/72/04/52/771720452.db2.gz QYBWKGCSFGVQEM-CVEARBPZSA-N 1 1 335.448 0.570 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001056870715 771745883 /nfs/dbraw/zinc/74/58/83/771745883.db2.gz BVUIKHHMAWOIDM-CABCVRRESA-N 1 1 328.420 0.788 20 30 ECEDMO CCc1nc(C#N)cc(N(C)[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001056926746 771815773 /nfs/dbraw/zinc/81/57/73/771815773.db2.gz OPCVHFHBEIBSCN-ZFWWWQNUSA-N 1 1 342.447 0.899 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCO[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001078441500 782958164 /nfs/dbraw/zinc/95/81/64/782958164.db2.gz WYXOJTNMYKMLBF-GFCCVEGCSA-N 1 1 337.424 0.028 20 30 ECEDMO CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056940644 771837582 /nfs/dbraw/zinc/83/75/82/771837582.db2.gz TUWAGRJJKVLJNR-OAHLLOKOSA-N 1 1 344.419 0.108 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)c1 ZINC001042233153 782963619 /nfs/dbraw/zinc/96/36/19/782963619.db2.gz PVOAVJNMRHORMO-WBVHZDCISA-N 1 1 340.427 0.688 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 ZINC001057027494 771963726 /nfs/dbraw/zinc/96/37/26/771963726.db2.gz IXGGQYMHEGWVID-HIFRSBDPSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3cncc(C#N)n3)C2)O1 ZINC001057062330 772019001 /nfs/dbraw/zinc/01/90/01/772019001.db2.gz OUEJQZKNKRAYCT-BPLDGKMQSA-N 1 1 344.419 0.104 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3cncc(C#N)n3)C2)O1 ZINC001057062330 772019009 /nfs/dbraw/zinc/01/90/09/772019009.db2.gz OUEJQZKNKRAYCT-BPLDGKMQSA-N 1 1 344.419 0.104 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]21 ZINC001042244297 782975809 /nfs/dbraw/zinc/97/58/09/782975809.db2.gz WQYUOPLCFRUDKA-HOCLYGCPSA-N 1 1 342.443 0.911 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C[C@H]21 ZINC001042254167 782989524 /nfs/dbraw/zinc/98/95/24/782989524.db2.gz IKABUWUXBBYOKZ-DZGCQCFKSA-N 1 1 346.431 0.197 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C)n2)[C@H]1C ZINC001020123719 772185764 /nfs/dbraw/zinc/18/57/64/772185764.db2.gz IRBXVXMFVPFRJF-NOLJZWGESA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C)n2)[C@H]1C ZINC001020123719 772185766 /nfs/dbraw/zinc/18/57/66/772185766.db2.gz IRBXVXMFVPFRJF-NOLJZWGESA-N 1 1 343.431 0.535 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C)c1 ZINC001020127101 772191859 /nfs/dbraw/zinc/19/18/59/772191859.db2.gz ULXZHHYWEOJHKN-JQFCIGGWSA-N 1 1 340.427 0.876 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001078459996 782986372 /nfs/dbraw/zinc/98/63/72/782986372.db2.gz HQDNKVBKDBVXJA-CZUORRHYSA-N 1 1 336.440 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CCOCC2)[C@H]1C ZINC001020206627 772282245 /nfs/dbraw/zinc/28/22/45/772282245.db2.gz BLQFSNQCZJKGDD-XIRDDKMYSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=CCOCC2)[C@H]1C ZINC001020206627 772282247 /nfs/dbraw/zinc/28/22/47/772282247.db2.gz BLQFSNQCZJKGDD-XIRDDKMYSA-N 1 1 345.443 0.536 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057212472 772287435 /nfs/dbraw/zinc/28/74/35/772287435.db2.gz ZKENPIAQDTUERR-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001042263712 783001578 /nfs/dbraw/zinc/00/15/78/783001578.db2.gz XAOLLOYOUWWYOV-LSDHHAIUSA-N 1 1 330.436 0.743 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057234937 772318977 /nfs/dbraw/zinc/31/89/77/772318977.db2.gz WBYHTJKSAJVSFI-HIFRSBDPSA-N 1 1 328.420 0.585 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCCN(c3nccnc3C#N)CC2)C1 ZINC001057234838 772319049 /nfs/dbraw/zinc/31/90/49/772319049.db2.gz RMCZZBZFYSKUDR-CQSZACIVSA-N 1 1 328.420 0.729 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057234936 772319448 /nfs/dbraw/zinc/31/94/48/772319448.db2.gz WBYHTJKSAJVSFI-DZGCQCFKSA-N 1 1 328.420 0.585 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001020271322 772379641 /nfs/dbraw/zinc/37/96/41/772379641.db2.gz NEZVCMBULQGECV-YVSFHVDLSA-N 1 1 346.475 0.141 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCCN3C)C2)C1=O ZINC001020302797 772417907 /nfs/dbraw/zinc/41/79/07/772417907.db2.gz SRCOCCSXCJVHSH-KLHDSHLOSA-N 1 1 334.464 0.494 20 30 ECEDMO Cc1cc(C#N)nc(NC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001057303445 772433020 /nfs/dbraw/zinc/43/30/20/772433020.db2.gz WHZMVYPEHQKZHG-HNNXBMFYSA-N 1 1 344.419 0.390 20 30 ECEDMO Cc1cc(C#N)nc(NC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001057303445 772433024 /nfs/dbraw/zinc/43/30/24/772433024.db2.gz WHZMVYPEHQKZHG-HNNXBMFYSA-N 1 1 344.419 0.390 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001078472159 783015405 /nfs/dbraw/zinc/01/54/05/783015405.db2.gz PPIWMHJFSMBAHV-XHSDSOJGSA-N 1 1 349.435 0.113 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001078472509 783016588 /nfs/dbraw/zinc/01/65/88/783016588.db2.gz YYRFYBPEMPLFCF-ZNMIVQPWSA-N 1 1 349.435 0.113 20 30 ECEDMO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001078473356 783020202 /nfs/dbraw/zinc/02/02/02/783020202.db2.gz XFHCMUUMCSAWOU-CABCVRRESA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)nn1 ZINC001078474558 783021678 /nfs/dbraw/zinc/02/16/78/783021678.db2.gz JTHSPVBBPQRRQZ-KGLIPLIRSA-N 1 1 348.451 0.431 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(CNc3ccc(C#N)nc3)CC2)C1 ZINC001057483806 772672568 /nfs/dbraw/zinc/67/25/68/772672568.db2.gz MYOGCESSBZFITM-KRWDZBQOSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(CNc3ccc(C#N)nc3)CC2)C1 ZINC001057483806 772672572 /nfs/dbraw/zinc/67/25/72/772672572.db2.gz MYOGCESSBZFITM-KRWDZBQOSA-N 1 1 343.431 0.934 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001057525283 772718325 /nfs/dbraw/zinc/71/83/25/772718325.db2.gz NSQYDHXFFMGBNZ-IYBDPMFKSA-N 1 1 337.464 0.456 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540213 772735271 /nfs/dbraw/zinc/73/52/71/772735271.db2.gz LBPCYRUSMBTWCS-LSDHHAIUSA-N 1 1 337.464 0.171 20 30 ECEDMO CC(C)c1[nH+]ccn1CCC(=O)N(CCO)CCNC(=O)[C@H](C)C#N ZINC001057564346 772758841 /nfs/dbraw/zinc/75/88/41/772758841.db2.gz QCOVENLUEGFKJL-CQSZACIVSA-N 1 1 349.435 0.493 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057587298 772782738 /nfs/dbraw/zinc/78/27/38/772782738.db2.gz CFGMPIPAJCNOAC-MRXNPFEDSA-N 1 1 335.448 0.210 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057636567 772844607 /nfs/dbraw/zinc/84/46/07/772844607.db2.gz UIGVBWMLTIARLL-WMLDXEAASA-N 1 1 325.453 0.478 20 30 ECEDMO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057718832 772942234 /nfs/dbraw/zinc/94/22/34/772942234.db2.gz UQMKZSKSXURBIY-DLBZAZTESA-N 1 1 349.475 0.744 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001057821797 773031824 /nfs/dbraw/zinc/03/18/24/773031824.db2.gz UAPYUTZFMPGUMT-INIZCTEOSA-N 1 1 349.475 0.459 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ccncc3C#N)CC2)C1 ZINC001057845777 773064197 /nfs/dbraw/zinc/06/41/97/773064197.db2.gz YPIKQXAUTUFTQP-INIZCTEOSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ccncc3C#N)CC2)C1 ZINC001057845777 773064199 /nfs/dbraw/zinc/06/41/99/773064199.db2.gz YPIKQXAUTUFTQP-INIZCTEOSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057875700 773112606 /nfs/dbraw/zinc/11/26/06/773112606.db2.gz GXPBZQNBBULOTA-HNNXBMFYSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057875700 773112607 /nfs/dbraw/zinc/11/26/07/773112607.db2.gz GXPBZQNBBULOTA-HNNXBMFYSA-N 1 1 344.419 0.154 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001057876799 773115273 /nfs/dbraw/zinc/11/52/73/773115273.db2.gz SAAVWHNZHIMDBR-HNNXBMFYSA-N 1 1 344.415 0.111 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@](C)(C=C)CC ZINC001057962009 773293886 /nfs/dbraw/zinc/29/38/86/773293886.db2.gz CLIGOJZAIFTRJL-QFBILLFUSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@](C)(C=C)CC ZINC001057962009 773293892 /nfs/dbraw/zinc/29/38/92/773293892.db2.gz CLIGOJZAIFTRJL-QFBILLFUSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC(C)(F)F ZINC001057962183 773294362 /nfs/dbraw/zinc/29/43/62/773294362.db2.gz MAKKGXYTEHQEEF-ZDUSSCGKSA-N 1 1 345.390 0.066 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC(C)(F)F ZINC001057962183 773294366 /nfs/dbraw/zinc/29/43/66/773294366.db2.gz MAKKGXYTEHQEEF-ZDUSSCGKSA-N 1 1 345.390 0.066 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2cc(C)ncn2)CC1 ZINC001057970341 773309813 /nfs/dbraw/zinc/30/98/13/773309813.db2.gz LYVZAWACFIBZRD-INIZCTEOSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2cc(C)ncn2)CC1 ZINC001057970341 773309817 /nfs/dbraw/zinc/30/98/17/773309817.db2.gz LYVZAWACFIBZRD-INIZCTEOSA-N 1 1 327.432 0.968 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040606832 783092976 /nfs/dbraw/zinc/09/29/76/783092976.db2.gz PBPVBSLBAQINJP-QFBILLFUSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001058038611 773402395 /nfs/dbraw/zinc/40/23/95/773402395.db2.gz ARQNVMSMGWGNGM-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058041120 773411349 /nfs/dbraw/zinc/41/13/49/773411349.db2.gz QMDQXIWZLUZIAO-AWEZNQCLSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058056450 773446351 /nfs/dbraw/zinc/44/63/51/773446351.db2.gz WPTJNUMPNITRBH-CYBMUJFWSA-N 1 1 328.420 0.727 20 30 ECEDMO C=C1CCC(C(=O)NCCN(CCO)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001058111211 773554764 /nfs/dbraw/zinc/55/47/64/773554764.db2.gz PROOQELLEOONNC-UHFFFAOYSA-N 1 1 348.447 0.875 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058111350 773555723 /nfs/dbraw/zinc/55/57/23/773555723.db2.gz VCQSHYIGOOYZNX-UHFFFAOYSA-N 1 1 334.420 0.322 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001058158420 773661652 /nfs/dbraw/zinc/66/16/52/773661652.db2.gz YELGEQOEJYNSPH-INIZCTEOSA-N 1 1 349.475 0.459 20 30 ECEDMO CCc1nc(C#N)cc(N2CCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058165412 773678267 /nfs/dbraw/zinc/67/82/67/773678267.db2.gz BOJGRQHIVLLRMH-UONOGXRCSA-N 1 1 342.447 0.947 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058241253 773829522 /nfs/dbraw/zinc/82/95/22/773829522.db2.gz MRONIMPMYGCFRY-UONOGXRCSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001039806102 783130530 /nfs/dbraw/zinc/13/05/30/783130530.db2.gz SKLVYPGBKQYYSF-VQIMIIECSA-N 1 1 349.475 0.929 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058381371 774068267 /nfs/dbraw/zinc/06/82/67/774068267.db2.gz GUSLAYGDYNISGC-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001058437451 774178411 /nfs/dbraw/zinc/17/84/11/774178411.db2.gz DPXGYMQLVDCOFV-HUUCEWRRSA-N 1 1 339.480 0.866 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001058442710 774189710 /nfs/dbraw/zinc/18/97/10/774189710.db2.gz NXZBCOHGVCMJBZ-UHFFFAOYSA-N 1 1 325.453 0.459 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001058463886 774233751 /nfs/dbraw/zinc/23/37/51/774233751.db2.gz JPIKHPCEZRIIQB-HNNXBMFYSA-N 1 1 327.469 0.868 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001058466100 774238650 /nfs/dbraw/zinc/23/86/50/774238650.db2.gz GHUNGWCVBBACTR-CABCVRRESA-N 1 1 325.453 0.620 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058521072 774352371 /nfs/dbraw/zinc/35/23/71/774352371.db2.gz DRGZWLKAMDVUNU-JKSUJKDBSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058521072 774352375 /nfs/dbraw/zinc/35/23/75/774352375.db2.gz DRGZWLKAMDVUNU-JKSUJKDBSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)C1 ZINC001058521700 774354193 /nfs/dbraw/zinc/35/41/93/774354193.db2.gz ROZJWWHJHYDZDX-LSDHHAIUSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)C1 ZINC001058521700 774354196 /nfs/dbraw/zinc/35/41/96/774354196.db2.gz ROZJWWHJHYDZDX-LSDHHAIUSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)O1 ZINC001058587517 774484746 /nfs/dbraw/zinc/48/47/46/774484746.db2.gz CLQPNCQFANCPIM-VHDGCEQUSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)O1 ZINC001058587517 774484748 /nfs/dbraw/zinc/48/47/48/774484748.db2.gz CLQPNCQFANCPIM-VHDGCEQUSA-N 1 1 329.404 0.367 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001058588405 774487225 /nfs/dbraw/zinc/48/72/25/774487225.db2.gz YZBIWZSIKUSTKC-VNQPRFMTSA-N 1 1 343.431 0.676 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001058588405 774487228 /nfs/dbraw/zinc/48/72/28/774487228.db2.gz YZBIWZSIKUSTKC-VNQPRFMTSA-N 1 1 343.431 0.676 20 30 ECEDMO CCn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)n1 ZINC001045000761 774818248 /nfs/dbraw/zinc/81/82/48/774818248.db2.gz XNNNAEJTEFSFNT-AWEZNQCLSA-N 1 1 327.392 0.892 20 30 ECEDMO CCn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)n1 ZINC001045001990 774819191 /nfs/dbraw/zinc/81/91/91/774819191.db2.gz DOVCHQUQFSLCQT-HNNXBMFYSA-N 1 1 327.392 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(=C)C)C1 ZINC001045064115 774920067 /nfs/dbraw/zinc/92/00/67/774920067.db2.gz LFYLAABGWRYHOQ-HOTGVXAUSA-N 1 1 347.459 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(=C)C)C1 ZINC001045064115 774920070 /nfs/dbraw/zinc/92/00/70/774920070.db2.gz LFYLAABGWRYHOQ-HOTGVXAUSA-N 1 1 347.459 0.376 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001043876593 775181456 /nfs/dbraw/zinc/18/14/56/775181456.db2.gz DPUCQTOSAZXZDH-KGLIPLIRSA-N 1 1 326.360 0.273 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ncnn1C ZINC001045238364 775199491 /nfs/dbraw/zinc/19/94/91/775199491.db2.gz UEGASRVDDOKVQB-DZKIICNBSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024295 790362941 /nfs/dbraw/zinc/36/29/41/790362941.db2.gz KDVUAJMCFJWMMJ-CVEARBPZSA-N 1 1 346.479 0.928 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024295 790362956 /nfs/dbraw/zinc/36/29/56/790362956.db2.gz KDVUAJMCFJWMMJ-CVEARBPZSA-N 1 1 346.479 0.928 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044007116 775497842 /nfs/dbraw/zinc/49/78/42/775497842.db2.gz FOLQBWSUVSUCFX-CQSZACIVSA-N 1 1 337.464 0.620 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@@H]2O)nc1 ZINC001044074388 775648859 /nfs/dbraw/zinc/64/88/59/775648859.db2.gz XKBLOEKHBMTMPJ-CVEARBPZSA-N 1 1 337.383 0.449 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028911 790383675 /nfs/dbraw/zinc/38/36/75/790383675.db2.gz KYLJXAVGYQLGTO-OAGGEKHMSA-N 1 1 332.452 0.538 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028911 790383686 /nfs/dbraw/zinc/38/36/86/790383686.db2.gz KYLJXAVGYQLGTO-OAGGEKHMSA-N 1 1 332.452 0.538 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 ZINC001045551895 775781291 /nfs/dbraw/zinc/78/12/91/775781291.db2.gz NPRKCQLIUBQJRS-KGLIPLIRSA-N 1 1 336.436 0.098 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2cnnn2C)CC1 ZINC001045560396 775802896 /nfs/dbraw/zinc/80/28/96/775802896.db2.gz QBXFXPPZQAWPOY-CABCVRRESA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(C)(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001045639935 775945706 /nfs/dbraw/zinc/94/57/06/775945706.db2.gz VPEUWJMTTLVBEG-HOTGVXAUSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(C)(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001045639935 775945718 /nfs/dbraw/zinc/94/57/18/775945718.db2.gz VPEUWJMTTLVBEG-HOTGVXAUSA-N 1 1 348.491 0.696 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2(C)CCN([C@H](CC)C(N)=O)CC2)CC1 ZINC001045646622 775960613 /nfs/dbraw/zinc/96/06/13/775960613.db2.gz KZIMWSLKVUAWOY-MRXNPFEDSA-N 1 1 348.491 0.566 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccncc3C#N)C2)C1 ZINC001068497189 790409865 /nfs/dbraw/zinc/40/98/65/790409865.db2.gz NTQXWDCLGPJJGM-QRTARXTBSA-N 1 1 343.431 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ccncc3C#N)C2)C1 ZINC001068497189 790409875 /nfs/dbraw/zinc/40/98/75/790409875.db2.gz NTQXWDCLGPJJGM-QRTARXTBSA-N 1 1 343.431 0.403 20 30 ECEDMO C=CCCOCC(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001044294910 776081029 /nfs/dbraw/zinc/08/10/29/776081029.db2.gz WUULTUGUOLADAC-UHFFFAOYSA-N 1 1 341.452 0.001 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CCOCC1 ZINC001045734666 776108449 /nfs/dbraw/zinc/10/84/49/776108449.db2.gz GGVRZWNCIYTMJI-IMJJTQAJSA-N 1 1 348.447 0.507 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CCOCC1 ZINC001045734666 776108456 /nfs/dbraw/zinc/10/84/56/776108456.db2.gz GGVRZWNCIYTMJI-IMJJTQAJSA-N 1 1 348.447 0.507 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CN(CC[C@H]3CCOC3)C2)CC1 ZINC001044335803 776179270 /nfs/dbraw/zinc/17/92/70/776179270.db2.gz PGFAEYUYDPDWFJ-INIZCTEOSA-N 1 1 333.476 0.901 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070046651 790442099 /nfs/dbraw/zinc/44/20/99/790442099.db2.gz ICRIWCJFEAAEIE-KGLIPLIRSA-N 1 1 332.433 0.895 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001044538276 776408482 /nfs/dbraw/zinc/40/84/82/776408482.db2.gz KRBLMFXCJJDZJV-MAZHCROVSA-N 1 1 329.404 0.103 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cncnc3)C2)C1=O ZINC001079638605 776582359 /nfs/dbraw/zinc/58/23/59/776582359.db2.gz YEMWNOGESXXAKJ-BMFZPTHFSA-N 1 1 343.431 0.243 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070052918 790460371 /nfs/dbraw/zinc/46/03/71/790460371.db2.gz SHNOAPROWPZHST-CVEARBPZSA-N 1 1 341.419 0.916 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642801 776589291 /nfs/dbraw/zinc/58/92/91/776589291.db2.gz NIEQPQAKHRMIGR-DFBGVHRSSA-N 1 1 328.372 0.603 20 30 ECEDMO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H](C)C1 ZINC001044668851 776609950 /nfs/dbraw/zinc/60/99/50/776609950.db2.gz DSGWLDQLGHCIFI-HUUCEWRRSA-N 1 1 332.448 0.977 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001079663935 776644150 /nfs/dbraw/zinc/64/41/50/776644150.db2.gz YCDIETYYPHOLGG-YUELXQCFSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001079663935 776644156 /nfs/dbraw/zinc/64/41/56/776644156.db2.gz YCDIETYYPHOLGG-YUELXQCFSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cccnn2)[C@@H](n2ccnn2)C1 ZINC001070061677 790480987 /nfs/dbraw/zinc/48/09/87/790480987.db2.gz RMLJOQSERYBZDZ-CABCVRRESA-N 1 1 327.392 0.690 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001079772485 776840179 /nfs/dbraw/zinc/84/01/79/776840179.db2.gz VZLCHWXKRJJHCR-OAHLLOKOSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079774412 776844597 /nfs/dbraw/zinc/84/45/97/776844597.db2.gz CFEFCOCIJUHTMF-GJZGRUSLSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001079774392 776845039 /nfs/dbraw/zinc/84/50/39/776845039.db2.gz BVIGKNYFJQHMHU-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079776057 776848618 /nfs/dbraw/zinc/84/86/18/776848618.db2.gz AEUMKYQOIZYNFI-WBVHZDCISA-N 1 1 349.475 0.957 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070064160 790487962 /nfs/dbraw/zinc/48/79/62/790487962.db2.gz DUFOTSYBDSFLNI-CVEARBPZSA-N 1 1 343.435 0.972 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070064160 790487971 /nfs/dbraw/zinc/48/79/71/790487971.db2.gz DUFOTSYBDSFLNI-CVEARBPZSA-N 1 1 343.435 0.972 20 30 ECEDMO CCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001079804847 776905638 /nfs/dbraw/zinc/90/56/38/776905638.db2.gz PNJUOMIZKMMPQH-KGLIPLIRSA-N 1 1 336.436 0.174 20 30 ECEDMO CCN(C(=O)[C@H](C)C[NH+]1CCOCC1)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001079804848 776905933 /nfs/dbraw/zinc/90/59/33/776905933.db2.gz PNJUOMIZKMMPQH-UONOGXRCSA-N 1 1 336.436 0.174 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001070068085 790496663 /nfs/dbraw/zinc/49/66/63/790496663.db2.gz GDOAGZCIOXELDC-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CN(C(=O)C#CC(C)C)C1 ZINC001079899684 777044055 /nfs/dbraw/zinc/04/40/55/777044055.db2.gz IFDRVAXBBWHJFP-RDJZCZTQSA-N 1 1 347.459 0.568 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079980800 777187492 /nfs/dbraw/zinc/18/74/92/777187492.db2.gz BGWSZRSXYXBSTI-CQSZACIVSA-N 1 1 325.453 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COC(C)(C)C)C1 ZINC001080008994 777221560 /nfs/dbraw/zinc/22/15/60/777221560.db2.gz LHEIWGUVJXMTSN-INIZCTEOSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COC(C)(C)C)C1 ZINC001080008994 777221567 /nfs/dbraw/zinc/22/15/67/777221567.db2.gz LHEIWGUVJXMTSN-INIZCTEOSA-N 1 1 349.475 0.958 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001080036076 777281479 /nfs/dbraw/zinc/28/14/79/777281479.db2.gz JYZMOHBHXPQJQE-GHMZBOCLSA-N 1 1 325.390 0.000 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001080036076 777281484 /nfs/dbraw/zinc/28/14/84/777281484.db2.gz JYZMOHBHXPQJQE-GHMZBOCLSA-N 1 1 325.390 0.000 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080141979 777456823 /nfs/dbraw/zinc/45/68/23/777456823.db2.gz ZNBUAGNWOVUYNM-OAHLLOKOSA-N 1 1 335.448 0.427 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001043099223 777728115 /nfs/dbraw/zinc/72/81/15/777728115.db2.gz GVZSEFMBCQMIID-HOTGVXAUSA-N 1 1 334.464 0.400 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001043104078 777733647 /nfs/dbraw/zinc/73/36/47/777733647.db2.gz IUIJFASFYRTTRC-DFBGVHRSSA-N 1 1 344.419 0.246 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001043104078 777733654 /nfs/dbraw/zinc/73/36/54/777733654.db2.gz IUIJFASFYRTTRC-DFBGVHRSSA-N 1 1 344.419 0.246 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3conc3C)C2)C1=O ZINC001080376024 777764956 /nfs/dbraw/zinc/76/49/56/777764956.db2.gz OHYBAEZIMPKIME-DFBGVHRSSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3conc3C)C2)C1=O ZINC001080376024 777764964 /nfs/dbraw/zinc/76/49/64/777764964.db2.gz OHYBAEZIMPKIME-DFBGVHRSSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)Cn3cc[nH+]c3C)C2)CCC1 ZINC001043129814 777785970 /nfs/dbraw/zinc/78/59/70/777785970.db2.gz DUBXBALKZLSRFP-UHFFFAOYSA-N 1 1 346.431 0.627 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]2C)c1 ZINC001080409848 777810300 /nfs/dbraw/zinc/81/03/00/777810300.db2.gz MWKPQOZFEVHIBG-XYPHTWIQSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]2C)c1 ZINC001080409848 777810305 /nfs/dbraw/zinc/81/03/05/777810305.db2.gz MWKPQOZFEVHIBG-XYPHTWIQSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]2C)c1 ZINC001080409660 777811445 /nfs/dbraw/zinc/81/14/45/777811445.db2.gz JRAWJMGELNUZDT-XYPHTWIQSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCOCC1 ZINC001070091752 790572004 /nfs/dbraw/zinc/57/20/04/790572004.db2.gz CQDBHZSAMHRPIT-JKSUJKDBSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043206753 777958954 /nfs/dbraw/zinc/95/89/54/777958954.db2.gz BRSGYANBQFIMGA-ZIAGYGMSSA-N 1 1 337.464 0.618 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2C)nn1 ZINC001080579241 778083527 /nfs/dbraw/zinc/08/35/27/778083527.db2.gz WBLPUHOXMJJVPP-UKRRQHHQSA-N 1 1 343.435 0.490 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001043314370 778145449 /nfs/dbraw/zinc/14/54/49/778145449.db2.gz DYYNJBQKJYWFFG-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccn2CC)[C@@H](n2ccnn2)C1 ZINC001070097215 790597072 /nfs/dbraw/zinc/59/70/72/790597072.db2.gz HRBPAOCIIXBZSP-ZBFHGGJFSA-N 1 1 326.404 0.778 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001043432374 778321125 /nfs/dbraw/zinc/32/11/25/778321125.db2.gz YNFUDNAKHUAUFE-UHFFFAOYSA-N 1 1 343.427 0.311 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)O2 ZINC001068574853 790611945 /nfs/dbraw/zinc/61/19/45/790611945.db2.gz BUVQSBIPRXUASR-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 ZINC001068575960 790616428 /nfs/dbraw/zinc/61/64/28/790616428.db2.gz YIIXJXVFFCXEKG-GXTWGEPZSA-N 1 1 345.403 0.227 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)O2 ZINC001068586946 790639179 /nfs/dbraw/zinc/63/91/79/790639179.db2.gz NZYRLUQHBZWTLU-DZGCQCFKSA-N 1 1 348.447 0.507 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)C#CC3CC3)CCOCC2)C1 ZINC001070112063 790642998 /nfs/dbraw/zinc/64/29/98/790642998.db2.gz KZVFZKFZXUHLRZ-OAHLLOKOSA-N 1 1 333.432 0.133 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001043661422 778682539 /nfs/dbraw/zinc/68/25/39/778682539.db2.gz ROUAXAGGGMFOEY-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]32)C1 ZINC001043726296 778781004 /nfs/dbraw/zinc/78/10/04/778781004.db2.gz FVVOJRKCJTZMSC-RRQGHBQHSA-N 1 1 341.415 0.321 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)Cn2cc[nH+]c2C)CCOCC1 ZINC001070123460 790690766 /nfs/dbraw/zinc/69/07/66/790690766.db2.gz OMJDAVQSOPEDNV-UHFFFAOYSA-N 1 1 346.431 0.777 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nc3)C2)O1 ZINC001068615629 790716612 /nfs/dbraw/zinc/71/66/12/790716612.db2.gz QYRFBOAMCKZLBW-BQGCOEIASA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nc3)C2)O1 ZINC001068615629 790716620 /nfs/dbraw/zinc/71/66/20/790716620.db2.gz QYRFBOAMCKZLBW-BQGCOEIASA-N 1 1 343.431 0.979 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@H]21 ZINC001042270175 779949470 /nfs/dbraw/zinc/94/94/70/779949470.db2.gz MRZWCWBDTPPHDI-ZIAGYGMSSA-N 1 1 332.404 0.036 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccnc4nc(C)nn43)C[C@H]21 ZINC001042312416 780052641 /nfs/dbraw/zinc/05/26/41/780052641.db2.gz NSGINBLSNYJOJO-GDBMZVCRSA-N 1 1 338.415 0.992 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC)[C@@H]3C2)nc1 ZINC001042316679 780060946 /nfs/dbraw/zinc/06/09/46/780060946.db2.gz QWNUBVSKBQNCAU-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC)[C@@H]3C2)nc1 ZINC001042316679 780060951 /nfs/dbraw/zinc/06/09/51/780060951.db2.gz QWNUBVSKBQNCAU-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@H]21 ZINC001042362680 780147802 /nfs/dbraw/zinc/14/78/02/780147802.db2.gz LGXGPEKUVSOLRI-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@@H]1n1ccnn1 ZINC001070152229 790768090 /nfs/dbraw/zinc/76/80/90/790768090.db2.gz QLCRSUNFNXNYRF-OCCSQVGLSA-N 1 1 349.826 0.728 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2ccccc2C#N)C1 ZINC001042573435 780466652 /nfs/dbraw/zinc/46/66/52/780466652.db2.gz JZDSIDUSEVAMIE-QGZVFWFLSA-N 1 1 328.416 0.531 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2ccccc2C#N)C1 ZINC001042573435 780466654 /nfs/dbraw/zinc/46/66/54/780466654.db2.gz JZDSIDUSEVAMIE-QGZVFWFLSA-N 1 1 328.416 0.531 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CC#Cc2ccc(F)cc2)C1 ZINC001042573849 780467890 /nfs/dbraw/zinc/46/78/90/780467890.db2.gz WBIIZMAEWJWGFH-GOSISDBHSA-N 1 1 345.418 0.650 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CC#Cc2ccc(F)cc2)C1 ZINC001042573849 780467893 /nfs/dbraw/zinc/46/78/93/780467893.db2.gz WBIIZMAEWJWGFH-GOSISDBHSA-N 1 1 345.418 0.650 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001042585085 780485762 /nfs/dbraw/zinc/48/57/62/780485762.db2.gz MNQBMVIZAXDAJI-QHSBEEBCSA-N 1 1 328.420 0.629 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001042664447 780608479 /nfs/dbraw/zinc/60/84/79/780608479.db2.gz WATRQYYSRQAISQ-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CCOCC(=O)NCCCCC[NH+]1CCN(C(=O)C(F)F)CC1 ZINC001079158307 780830299 /nfs/dbraw/zinc/83/02/99/780830299.db2.gz BWLRMKNDFHGEKM-UHFFFAOYSA-N 1 1 347.406 0.885 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 ZINC001042943590 781077791 /nfs/dbraw/zinc/07/77/91/781077791.db2.gz UFRSZZPFBTUKKJ-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC001042960054 781101896 /nfs/dbraw/zinc/10/18/96/781101896.db2.gz KTADXUVYZBNKSZ-KRWDZBQOSA-N 1 1 342.443 0.126 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC001042960054 781101899 /nfs/dbraw/zinc/10/18/99/781101899.db2.gz KTADXUVYZBNKSZ-KRWDZBQOSA-N 1 1 342.443 0.126 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2nc(CC)no2)C1 ZINC001042963997 781107762 /nfs/dbraw/zinc/10/77/62/781107762.db2.gz YEHFKQOMPMLSKB-HIFRSBDPSA-N 1 1 345.447 0.933 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2nc(CC)no2)C1 ZINC001042963997 781107767 /nfs/dbraw/zinc/10/77/67/781107767.db2.gz YEHFKQOMPMLSKB-HIFRSBDPSA-N 1 1 345.447 0.933 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](CC)OCC)C1 ZINC001079428464 781108870 /nfs/dbraw/zinc/10/88/70/781108870.db2.gz DVXZEGYTRDKACA-IRXDYDNUSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](CC)OCC)C1 ZINC001079428464 781108874 /nfs/dbraw/zinc/10/88/74/781108874.db2.gz DVXZEGYTRDKACA-IRXDYDNUSA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001079435712 781114951 /nfs/dbraw/zinc/11/49/51/781114951.db2.gz NNKFJNSJYKQGDK-KBAYOESNSA-N 1 1 328.412 0.890 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001079435712 781114955 /nfs/dbraw/zinc/11/49/55/781114955.db2.gz NNKFJNSJYKQGDK-KBAYOESNSA-N 1 1 328.412 0.890 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001042973768 781122271 /nfs/dbraw/zinc/12/22/71/781122271.db2.gz AVVSLLMAJYULCT-FVQBIDKESA-N 1 1 343.431 0.615 20 30 ECEDMO CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042977890 781127674 /nfs/dbraw/zinc/12/76/74/781127674.db2.gz QSTNNNKZCUVBBG-BPLDGKMQSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001043022379 781201057 /nfs/dbraw/zinc/20/10/57/781201057.db2.gz DTGFPVJMYQQOGD-MRXNPFEDSA-N 1 1 349.475 0.742 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079589477 781291433 /nfs/dbraw/zinc/29/14/33/781291433.db2.gz HCVCDVQUHLWPGE-DVOMOZLQSA-N 1 1 343.431 0.853 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001077625174 781373704 /nfs/dbraw/zinc/37/37/04/781373704.db2.gz TZOQYYHMDOPRJF-USXIJHARSA-N 1 1 349.475 0.810 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCCc3nc(C)no3)C[C@H]2O)C1 ZINC001077641774 781410561 /nfs/dbraw/zinc/41/05/61/781410561.db2.gz HEBYXNIOLHLYBI-ZIAGYGMSSA-N 1 1 334.420 0.828 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]2O)C1 ZINC001077641774 781410563 /nfs/dbraw/zinc/41/05/63/781410563.db2.gz HEBYXNIOLHLYBI-ZIAGYGMSSA-N 1 1 334.420 0.828 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3nc4ncc(C)cn4n3)C2)C1 ZINC001041391238 781417002 /nfs/dbraw/zinc/41/70/02/781417002.db2.gz BBKVNEREUDJOHD-GOSISDBHSA-N 1 1 338.415 0.994 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001077650923 781426516 /nfs/dbraw/zinc/42/65/16/781426516.db2.gz IDRNCHYRUTYRFD-HZPDHXFCSA-N 1 1 331.416 0.456 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 ZINC001077655286 781434884 /nfs/dbraw/zinc/43/48/84/781434884.db2.gz IMLYWGJCENEEJG-ZIAGYGMSSA-N 1 1 329.404 0.709 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC001041399930 781435758 /nfs/dbraw/zinc/43/57/58/781435758.db2.gz SDFUYVASASBYBX-GOSISDBHSA-N 1 1 328.416 0.948 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC001041405623 781445479 /nfs/dbraw/zinc/44/54/79/781445479.db2.gz CZUVPTVVUKIUDR-SFHVURJKSA-N 1 1 328.416 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001041406834 781446137 /nfs/dbraw/zinc/44/61/37/781446137.db2.gz ZXKOJMMFLPRUQE-CVEARBPZSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001041406834 781446148 /nfs/dbraw/zinc/44/61/48/781446148.db2.gz ZXKOJMMFLPRUQE-CVEARBPZSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cnc4ccccn4c3=O)C2)C1 ZINC001041414793 781457664 /nfs/dbraw/zinc/45/76/64/781457664.db2.gz LNNOXTUIIKZKFK-IBGZPJMESA-N 1 1 336.395 0.866 20 30 ECEDMO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680823 781499710 /nfs/dbraw/zinc/49/97/10/781499710.db2.gz XVFMNCZLKBZZCW-CPUCHLNUSA-N 1 1 325.428 0.384 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC001041447665 781537204 /nfs/dbraw/zinc/53/72/04/781537204.db2.gz BYULLZHDBMDTAL-SFHVURJKSA-N 1 1 346.431 0.840 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001077701934 781545525 /nfs/dbraw/zinc/54/55/25/781545525.db2.gz VIIBRBZYKGIRIO-YOEHRIQHSA-N 1 1 343.427 0.623 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001077701934 781545527 /nfs/dbraw/zinc/54/55/27/781545527.db2.gz VIIBRBZYKGIRIO-YOEHRIQHSA-N 1 1 343.427 0.623 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001077808626 781733777 /nfs/dbraw/zinc/73/37/77/781733777.db2.gz TVZXWQNQXRJFPP-YLFCFFPRSA-N 1 1 328.412 0.983 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001077808626 781733783 /nfs/dbraw/zinc/73/37/83/781733783.db2.gz TVZXWQNQXRJFPP-YLFCFFPRSA-N 1 1 328.412 0.983 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001077809697 781736221 /nfs/dbraw/zinc/73/62/21/781736221.db2.gz QGXNZJNRXBZATH-BSDSXHPESA-N 1 1 328.412 0.983 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001077809697 781736226 /nfs/dbraw/zinc/73/62/26/781736226.db2.gz QGXNZJNRXBZATH-BSDSXHPESA-N 1 1 328.412 0.983 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)nn1 ZINC001077812733 781740768 /nfs/dbraw/zinc/74/07/68/781740768.db2.gz QJUWWJQSXTXJQQ-SQWLQELKSA-N 1 1 349.435 0.056 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(c3cncc(C#N)n3)CCCO2)C1 ZINC001039915036 783273693 /nfs/dbraw/zinc/27/36/93/783273693.db2.gz IHYNGVAHRYUFTC-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001040059971 783463461 /nfs/dbraw/zinc/46/34/61/783463461.db2.gz NMBYGTBEOGQNNQ-DNVCBOLYSA-N 1 1 347.459 0.211 20 30 ECEDMO C=C1CCC(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040807674 783476520 /nfs/dbraw/zinc/47/65/20/783476520.db2.gz UZSPHEVKPYHEMW-QFBILLFUSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001040095777 783531847 /nfs/dbraw/zinc/53/18/47/783531847.db2.gz KLIGXQTVXZEBRH-VQIMIIECSA-N 1 1 349.475 0.744 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070177872 783604505 /nfs/dbraw/zinc/60/45/05/783604505.db2.gz SKXLWNLGUJYXDY-RDBSUJKOSA-N 1 1 339.827 0.941 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070206267 783655124 /nfs/dbraw/zinc/65/51/24/783655124.db2.gz QJQWTLSJTYJCJS-KFWWJZLASA-N 1 1 331.424 0.018 20 30 ECEDMO C=CCCC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCOCC1 ZINC001070254551 783750785 /nfs/dbraw/zinc/75/07/85/783750785.db2.gz OTGBKUHFAFTZBI-CABCVRRESA-N 1 1 337.464 0.932 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H](CC)C2)CC1 ZINC001037981124 783753356 /nfs/dbraw/zinc/75/33/56/783753356.db2.gz CCSKFMHKNLOZIV-HOCLYGCPSA-N 1 1 334.464 0.034 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2c(C)n[nH]c2C(C)C)C[C@@H]1n1ccnn1 ZINC001070308431 783813488 /nfs/dbraw/zinc/81/34/88/783813488.db2.gz SCVPIGNEZXJBBE-KGLIPLIRSA-N 1 1 341.419 0.722 20 30 ECEDMO C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnn[nH]2)CC1 ZINC001070373738 783912150 /nfs/dbraw/zinc/91/21/50/783912150.db2.gz AQFUDRQHKALHEV-CJNGLKHVSA-N 1 1 346.435 0.470 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2)C1 ZINC001070396936 783960029 /nfs/dbraw/zinc/96/00/29/783960029.db2.gz YJRBRQDBGDHQLU-ZDUSSCGKSA-N 1 1 326.404 0.886 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC001038193700 783978974 /nfs/dbraw/zinc/97/89/74/783978974.db2.gz VLTVZCLYUFNORO-QGZVFWFLSA-N 1 1 326.400 0.727 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001038193700 783978980 /nfs/dbraw/zinc/97/89/80/783978980.db2.gz VLTVZCLYUFNORO-QGZVFWFLSA-N 1 1 326.400 0.727 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001070409792 783997451 /nfs/dbraw/zinc/99/74/51/783997451.db2.gz MJZXDFSWSNXORB-YEWWUXTCSA-N 1 1 328.416 0.875 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001070411218 783999786 /nfs/dbraw/zinc/99/97/86/783999786.db2.gz HBFZBRCCPIEZRU-ZIAGYGMSSA-N 1 1 345.447 0.870 20 30 ECEDMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OCC#N)cc2)nn1 ZINC001038210517 784000494 /nfs/dbraw/zinc/00/04/94/784000494.db2.gz FJFDZCSOGXYRPH-AWEZNQCLSA-N 1 1 340.387 0.722 20 30 ECEDMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OCC#N)cc2)nn1 ZINC001038210517 784000502 /nfs/dbraw/zinc/00/05/02/784000502.db2.gz FJFDZCSOGXYRPH-AWEZNQCLSA-N 1 1 340.387 0.722 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnc[nH]c2=O)C1 ZINC001070413171 784008716 /nfs/dbraw/zinc/00/87/16/784008716.db2.gz VNWVNWGVMBYQPU-LLVKDONJSA-N 1 1 328.376 0.811 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001070413267 784009146 /nfs/dbraw/zinc/00/91/46/784009146.db2.gz YKIAOELHETXQEU-VBQJREDUSA-N 1 1 346.431 0.642 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)nc2OC)C1 ZINC001070418320 784022981 /nfs/dbraw/zinc/02/29/81/784022981.db2.gz LYLCXFGUXARNPF-LBPRGKRZSA-N 1 1 342.403 0.504 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001070419760 784026606 /nfs/dbraw/zinc/02/66/06/784026606.db2.gz HXMHSUHSSGPKTC-GXTWGEPZSA-N 1 1 346.435 0.415 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001070420106 784027018 /nfs/dbraw/zinc/02/70/18/784027018.db2.gz PZWGLPBVWQMIES-GXTWGEPZSA-N 1 1 331.420 0.622 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC2=O)C1 ZINC001070420305 784029215 /nfs/dbraw/zinc/02/92/15/784029215.db2.gz VTJXCVMDAGTGHU-HIFRSBDPSA-N 1 1 345.447 0.918 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001070421482 784032089 /nfs/dbraw/zinc/03/20/89/784032089.db2.gz LXSKMAUVUUTRMZ-OJLVUWQFSA-N 1 1 328.416 0.731 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nccn3ccnc23)C1 ZINC001070424109 784038115 /nfs/dbraw/zinc/03/81/15/784038115.db2.gz ADUFCPWKYZLVBF-CYBMUJFWSA-N 1 1 349.398 0.805 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(C)n2)C1 ZINC001070431562 784053186 /nfs/dbraw/zinc/05/31/86/784053186.db2.gz YNRFLVUVVPNNDG-LBPRGKRZSA-N 1 1 329.408 0.834 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001038255353 784068672 /nfs/dbraw/zinc/06/86/72/784068672.db2.gz NKJAJTFDRKOYHW-UONOGXRCSA-N 1 1 331.420 0.919 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070911782 784102203 /nfs/dbraw/zinc/10/22/03/784102203.db2.gz LEARQTACACCZIS-MJBXVCDLSA-N 1 1 343.387 0.153 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070911782 784102207 /nfs/dbraw/zinc/10/22/07/784102207.db2.gz LEARQTACACCZIS-MJBXVCDLSA-N 1 1 343.387 0.153 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC001070942003 784177729 /nfs/dbraw/zinc/17/77/29/784177729.db2.gz LVTLJUIJTBBCRJ-MRXNPFEDSA-N 1 1 335.448 0.619 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC001070942003 784177736 /nfs/dbraw/zinc/17/77/36/784177736.db2.gz LVTLJUIJTBBCRJ-MRXNPFEDSA-N 1 1 335.448 0.619 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1 ZINC001070491362 784184348 /nfs/dbraw/zinc/18/43/48/784184348.db2.gz HFVLFJXSMWBVCD-USXIJHARSA-N 1 1 344.463 0.700 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@H]1c1cn(C)cn1 ZINC001070505999 784203098 /nfs/dbraw/zinc/20/30/98/784203098.db2.gz SMYKFZBNRNXKLJ-USXIJHARSA-N 1 1 331.464 0.974 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001070950459 784203813 /nfs/dbraw/zinc/20/38/13/784203813.db2.gz WLFCPFKKSXHKCJ-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001070950459 784203821 /nfs/dbraw/zinc/20/38/21/784203821.db2.gz WLFCPFKKSXHKCJ-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001070950459 784203824 /nfs/dbraw/zinc/20/38/24/784203824.db2.gz WLFCPFKKSXHKCJ-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@](C)(O)C2CC2)CC1 ZINC001070956154 784220856 /nfs/dbraw/zinc/22/08/56/784220856.db2.gz IBIPZDDKLIJFBH-SFHVURJKSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@](C)(O)C2CC2)CC1 ZINC001070956154 784220858 /nfs/dbraw/zinc/22/08/58/784220858.db2.gz IBIPZDDKLIJFBH-SFHVURJKSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)n2cccc2)CC1 ZINC001070956321 784221539 /nfs/dbraw/zinc/22/15/39/784221539.db2.gz LLTOCBZCMLRIPU-INIZCTEOSA-N 1 1 330.432 0.723 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)n2cccc2)CC1 ZINC001070956321 784221543 /nfs/dbraw/zinc/22/15/43/784221543.db2.gz LLTOCBZCMLRIPU-INIZCTEOSA-N 1 1 330.432 0.723 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)n2cccc2)CC1 ZINC001070956323 784221946 /nfs/dbraw/zinc/22/19/46/784221946.db2.gz LLTOCBZCMLRIPU-MRXNPFEDSA-N 1 1 330.432 0.723 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)n2cccc2)CC1 ZINC001070956323 784221953 /nfs/dbraw/zinc/22/19/53/784221953.db2.gz LLTOCBZCMLRIPU-MRXNPFEDSA-N 1 1 330.432 0.723 20 30 ECEDMO C[C@H]1CC[C@@H](C[N@@H+]2CCNC(=O)CCN(C(=O)C#CC3CC3)CC2)O1 ZINC001070962656 784240980 /nfs/dbraw/zinc/24/09/80/784240980.db2.gz YTZXCZLMCSCRBS-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@H]1CC[C@@H](C[N@H+]2CCNC(=O)CCN(C(=O)C#CC3CC3)CC2)O1 ZINC001070962656 784240987 /nfs/dbraw/zinc/24/09/87/784240987.db2.gz YTZXCZLMCSCRBS-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001070963587 784244495 /nfs/dbraw/zinc/24/44/95/784244495.db2.gz YIDNBXLBTAQSOQ-IAGOWNOFSA-N 1 1 346.475 0.145 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 ZINC001070969161 784263267 /nfs/dbraw/zinc/26/32/67/784263267.db2.gz CYGHGPAEOZTVMD-INIZCTEOSA-N 1 1 349.479 0.138 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn3c2CCC3)CC1 ZINC001070969143 784263421 /nfs/dbraw/zinc/26/34/21/784263421.db2.gz CGGZAUVHWSWUBV-UHFFFAOYSA-N 1 1 345.447 0.670 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn3c2CCC3)CC1 ZINC001070969143 784263426 /nfs/dbraw/zinc/26/34/26/784263426.db2.gz CGGZAUVHWSWUBV-UHFFFAOYSA-N 1 1 345.447 0.670 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001070975630 784289952 /nfs/dbraw/zinc/28/99/52/784289952.db2.gz VVVVWYJPVORDDF-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CCCO)CC2)cc1 ZINC001070983841 784318517 /nfs/dbraw/zinc/31/85/17/784318517.db2.gz IRSJBVYKHYCJOG-UHFFFAOYSA-N 1 1 343.427 0.314 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CCCO)CC2)cc1 ZINC001070983841 784318526 /nfs/dbraw/zinc/31/85/26/784318526.db2.gz IRSJBVYKHYCJOG-UHFFFAOYSA-N 1 1 343.427 0.314 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001070986512 784328526 /nfs/dbraw/zinc/32/85/26/784328526.db2.gz PDAWJKUTJBFJSE-OAHLLOKOSA-N 1 1 339.436 0.019 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001070992353 784344946 /nfs/dbraw/zinc/34/49/46/784344946.db2.gz DVOBWPVQDKKIQO-HOTGVXAUSA-N 1 1 336.480 0.553 20 30 ECEDMO C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001070584613 784354709 /nfs/dbraw/zinc/35/47/09/784354709.db2.gz BRHCQAGBJMEPJS-MCIONIFRSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1CCOC[C@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001070584613 784354717 /nfs/dbraw/zinc/35/47/17/784354717.db2.gz BRHCQAGBJMEPJS-MCIONIFRSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1CCOC[C@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001070584613 784354723 /nfs/dbraw/zinc/35/47/23/784354723.db2.gz BRHCQAGBJMEPJS-MCIONIFRSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1CCOC[C@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001070584613 784354729 /nfs/dbraw/zinc/35/47/29/784354729.db2.gz BRHCQAGBJMEPJS-MCIONIFRSA-N 1 1 348.451 0.320 20 30 ECEDMO C=CCN1CCOC[C@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001070584613 784354736 /nfs/dbraw/zinc/35/47/36/784354736.db2.gz BRHCQAGBJMEPJS-MCIONIFRSA-N 1 1 348.451 0.320 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cc[nH]n2)n1 ZINC001070594706 784403347 /nfs/dbraw/zinc/40/33/47/784403347.db2.gz LBZKZHZKVHXNCG-KBPBESRZSA-N 1 1 342.403 0.971 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnon2)n1 ZINC001070599349 784413170 /nfs/dbraw/zinc/41/31/70/784413170.db2.gz VZFOYEHSPKBNDU-STQMWFEESA-N 1 1 344.375 0.631 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCCOC2)n1 ZINC001070601379 784418636 /nfs/dbraw/zinc/41/86/36/784418636.db2.gz JADPDYVLYMNEDI-OWCLPIDISA-N 1 1 346.431 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ccon2)n1 ZINC001070601805 784419789 /nfs/dbraw/zinc/41/97/89/784419789.db2.gz XCDRNGHOAKUXHE-QWHCGFSZSA-N 1 1 329.360 0.846 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(CC)cn2)CC1 ZINC001071015635 784422411 /nfs/dbraw/zinc/42/24/11/784422411.db2.gz NHYSMMSNDJWDCF-UHFFFAOYSA-N 1 1 333.436 0.743 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(CC)cn2)CC1 ZINC001071015635 784422419 /nfs/dbraw/zinc/42/24/19/784422419.db2.gz NHYSMMSNDJWDCF-UHFFFAOYSA-N 1 1 333.436 0.743 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC001071017278 784430081 /nfs/dbraw/zinc/43/00/81/784430081.db2.gz OXXQOLGFNIKGIL-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC001071017278 784430084 /nfs/dbraw/zinc/43/00/84/784430084.db2.gz OXXQOLGFNIKGIL-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001071021667 784442822 /nfs/dbraw/zinc/44/28/22/784442822.db2.gz ANOVSGPKLRTLEB-IYBDPMFKSA-N 1 1 336.480 0.696 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001070633533 784467386 /nfs/dbraw/zinc/46/73/86/784467386.db2.gz LPGYYEPBTYLPBR-CQSZACIVSA-N 1 1 331.420 0.947 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 ZINC001071086141 784528676 /nfs/dbraw/zinc/52/86/76/784528676.db2.gz RCAOGBJHOWUKCN-KYJSFNMBSA-N 1 1 334.464 0.980 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1cccn1)C[C@H](C)O2 ZINC001071139371 784586369 /nfs/dbraw/zinc/58/63/69/784586369.db2.gz TYEBWWDRAOPSHG-WMZOPIPTSA-N 1 1 330.432 0.988 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001070728091 784607257 /nfs/dbraw/zinc/60/72/57/784607257.db2.gz GNTLXBJBXXXOHA-APWZRJJASA-N 1 1 347.459 0.619 20 30 ECEDMO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071156610 784620833 /nfs/dbraw/zinc/62/08/33/784620833.db2.gz JYTKEBYIVHHYHH-SUMWQHHRSA-N 1 1 332.404 0.574 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)C[C@@H](C)O2 ZINC001071159522 784625939 /nfs/dbraw/zinc/62/59/39/784625939.db2.gz NGDDJKIEGRILPB-NVXWUHKLSA-N 1 1 331.420 0.383 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnnn1CC)C[C@H](C)O2 ZINC001071159303 784626021 /nfs/dbraw/zinc/62/60/21/784626021.db2.gz KEYZZWYKDLAEEI-WMLDXEAASA-N 1 1 331.420 0.627 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccn(C)n1)C[C@@H](C)O2 ZINC001071166737 784642199 /nfs/dbraw/zinc/64/21/99/784642199.db2.gz MXWRQZLPDGCOKI-QAPCUYQASA-N 1 1 330.432 0.678 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@@H](C)O2 ZINC001071166847 784642912 /nfs/dbraw/zinc/64/29/12/784642912.db2.gz OUNSGDWHYRXQIQ-CXAGYDPISA-N 1 1 333.436 0.924 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 ZINC001071169740 784649687 /nfs/dbraw/zinc/64/96/87/784649687.db2.gz WGTIPDVGSLZJRF-HOCLYGCPSA-N 1 1 334.424 0.331 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn3nnnc13)C[C@H](C)O2 ZINC001071171999 784654910 /nfs/dbraw/zinc/65/49/10/784654910.db2.gz VTNLOGJKUVQOQP-SUMWQHHRSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn3nnnc13)C[C@H](C)O2 ZINC001071171999 784654915 /nfs/dbraw/zinc/65/49/15/784654915.db2.gz VTNLOGJKUVQOQP-SUMWQHHRSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nnn1CC)C[C@@H](C)O2 ZINC001071175143 784662521 /nfs/dbraw/zinc/66/25/21/784662521.db2.gz BMBOEWOJCUPHDR-CXAGYDPISA-N 1 1 331.420 0.545 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nnn1CC)C[C@@H](C)O2 ZINC001071175573 784663724 /nfs/dbraw/zinc/66/37/24/784663724.db2.gz GXDNJEHWTDYZSU-RDTXWAMCSA-N 1 1 345.447 0.935 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@@H](C)O2 ZINC001071176363 784666705 /nfs/dbraw/zinc/66/67/05/784666705.db2.gz UXHVQUJMSCOWQF-DYVFJYSZSA-N 1 1 332.404 0.767 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3n[nH]cc3c1)C[C@@H](C)O2 ZINC001071178775 784673870 /nfs/dbraw/zinc/67/38/70/784673870.db2.gz WBEWMKJXIGUJPB-FZKQIMNGSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@H](C)O2 ZINC001071185460 784687827 /nfs/dbraw/zinc/68/78/27/784687827.db2.gz HDHAOHHJBGKADO-MAUKXSAKSA-N 1 1 333.432 0.324 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@H](C)O2 ZINC001071190273 784697154 /nfs/dbraw/zinc/69/71/54/784697154.db2.gz WOBAHQYGSXKPCU-KSSFIOAISA-N 1 1 346.431 0.757 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071190146 784697205 /nfs/dbraw/zinc/69/72/05/784697205.db2.gz UVJABOZJDFJTMW-RDTXWAMCSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071190146 784697212 /nfs/dbraw/zinc/69/72/12/784697212.db2.gz UVJABOZJDFJTMW-RDTXWAMCSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@H](C)O2 ZINC001071190342 784698155 /nfs/dbraw/zinc/69/81/55/784698155.db2.gz XSGTUBLRHPXRKC-YVEFUNNKSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@H](C)O2 ZINC001071190342 784698157 /nfs/dbraw/zinc/69/81/57/784698157.db2.gz XSGTUBLRHPXRKC-YVEFUNNKSA-N 1 1 331.372 0.317 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001070811566 784708232 /nfs/dbraw/zinc/70/82/32/784708232.db2.gz RFNKTUFDXVYRLN-CABCVRRESA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001070811566 784708238 /nfs/dbraw/zinc/70/82/38/784708238.db2.gz RFNKTUFDXVYRLN-CABCVRRESA-N 1 1 339.436 0.017 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)C[C@H](C)O2 ZINC001071197498 784715306 /nfs/dbraw/zinc/71/53/06/784715306.db2.gz UGRBEKRPBWNIQJ-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)C[C@H](C)O2 ZINC001071197498 784715310 /nfs/dbraw/zinc/71/53/10/784715310.db2.gz UGRBEKRPBWNIQJ-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccoc1CC(N)=O)C[C@H](C)O2 ZINC001071203761 784728346 /nfs/dbraw/zinc/72/83/46/784728346.db2.gz HJWRXAVXZNMHGI-UGSOOPFHSA-N 1 1 345.399 0.246 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccoc1CC(N)=O)C[C@H](C)O2 ZINC001071203761 784728351 /nfs/dbraw/zinc/72/83/51/784728351.db2.gz HJWRXAVXZNMHGI-UGSOOPFHSA-N 1 1 345.399 0.246 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(CC)c1CC)C[C@@H](C)O2 ZINC001071211506 784746118 /nfs/dbraw/zinc/74/61/18/784746118.db2.gz JELHZBBVKNCZJJ-RDTXWAMCSA-N 1 1 345.447 0.799 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(CC)c1CC)C[C@@H](C)O2 ZINC001071211506 784746124 /nfs/dbraw/zinc/74/61/24/784746124.db2.gz JELHZBBVKNCZJJ-RDTXWAMCSA-N 1 1 345.447 0.799 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn[nH]n1)C[C@@H](C)O2 ZINC001071212415 784749610 /nfs/dbraw/zinc/74/96/10/784749610.db2.gz XHHXNTHOYCHIPJ-PBHICJAKSA-N 1 1 331.420 0.452 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@@H](C)O2 ZINC001071212415 784749613 /nfs/dbraw/zinc/74/96/13/784749613.db2.gz XHHXNTHOYCHIPJ-PBHICJAKSA-N 1 1 331.420 0.452 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH]nn1)C[C@@H](C)O2 ZINC001071212415 784749618 /nfs/dbraw/zinc/74/96/18/784749618.db2.gz XHHXNTHOYCHIPJ-PBHICJAKSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nccn3ccnc13)C[C@H](C)O2 ZINC001071213405 784750142 /nfs/dbraw/zinc/75/01/42/784750142.db2.gz DWUDAGBLEAYVBN-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nccn3ccnc13)C[C@H](C)O2 ZINC001071213405 784750149 /nfs/dbraw/zinc/75/01/49/784750149.db2.gz DWUDAGBLEAYVBN-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccnc(OC)c1)C[C@H](C)O2 ZINC001071214627 784752006 /nfs/dbraw/zinc/75/20/06/784752006.db2.gz XVHUJRVCCKICEU-HNAYVOBHSA-N 1 1 343.427 0.958 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccc(C)cc1=O)C[C@@H](C)O2 ZINC001071216101 784755614 /nfs/dbraw/zinc/75/56/14/784755614.db2.gz LZQWCNGVBPOBLW-VQIMIIECSA-N 1 1 343.427 0.482 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)s1)C[C@H](C)O2 ZINC001071218484 784761734 /nfs/dbraw/zinc/76/17/34/784761734.db2.gz NWYBFGLKQRTOEK-YVEFUNNKSA-N 1 1 347.440 0.786 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)s1)C[C@H](C)O2 ZINC001071218484 784761740 /nfs/dbraw/zinc/76/17/40/784761740.db2.gz NWYBFGLKQRTOEK-YVEFUNNKSA-N 1 1 347.440 0.786 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)C[C@H](C)O2 ZINC001071221649 784771854 /nfs/dbraw/zinc/77/18/54/784771854.db2.gz TYGGOAHSGAQJIW-SUMWQHHRSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)C[C@H](C)O2 ZINC001071221649 784771860 /nfs/dbraw/zinc/77/18/60/784771860.db2.gz TYGGOAHSGAQJIW-SUMWQHHRSA-N 1 1 340.387 0.063 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cncn1C)C[C@@H](C)O2 ZINC001071226167 784784958 /nfs/dbraw/zinc/78/49/58/784784958.db2.gz VMOAICNNPDFIGP-CRAIPNDOSA-N 1 1 330.432 0.678 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc(OC)nc1)C[C@H](C)O2 ZINC001071227702 784786596 /nfs/dbraw/zinc/78/65/96/784786596.db2.gz ITGNWOFGSCHBPN-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CCO)C3)C2)nc1 ZINC001071231731 784795930 /nfs/dbraw/zinc/79/59/30/784795930.db2.gz UAHNVKKIXWOAJA-KSSFIOAISA-N 1 1 329.400 0.361 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]cnc1C)C[C@@H](C)O2 ZINC001071234149 784799533 /nfs/dbraw/zinc/79/95/33/784799533.db2.gz UMQMDXQCCIRHJE-KDOFPFPSSA-N 1 1 330.432 0.976 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@@H](C)O2 ZINC001071241485 784817605 /nfs/dbraw/zinc/81/76/05/784817605.db2.gz VYXOSGIWYGZVMZ-PXAZEXFGSA-N 1 1 332.404 0.605 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)cs1)C[C@@H](C)O2 ZINC001071244426 784822372 /nfs/dbraw/zinc/82/23/72/784822372.db2.gz UVNUZQDTWYAMBN-PXAZEXFGSA-N 1 1 347.440 0.786 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)cs1)C[C@@H](C)O2 ZINC001071244426 784822388 /nfs/dbraw/zinc/82/23/88/784822388.db2.gz UVNUZQDTWYAMBN-PXAZEXFGSA-N 1 1 347.440 0.786 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@@H](C)O2 ZINC001071248664 784831695 /nfs/dbraw/zinc/83/16/95/784831695.db2.gz PQJFEOZKECSILL-CRAIPNDOSA-N 1 1 345.447 0.463 20 30 ECEDMO C#CCCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258971 784865565 /nfs/dbraw/zinc/86/55/65/784865565.db2.gz VKRAYVAICZRYEQ-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cn(C)cn3)C2)C(=O)C1 ZINC001071262251 784874608 /nfs/dbraw/zinc/87/46/08/784874608.db2.gz GRGPDHMYMDQPTD-HNNXBMFYSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cn(C)cn3)C2)C(=O)C1 ZINC001071262251 784874614 /nfs/dbraw/zinc/87/46/14/784874614.db2.gz GRGPDHMYMDQPTD-HNNXBMFYSA-N 1 1 345.447 0.745 20 30 ECEDMO C#CCN1CCN([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C(=O)C1 ZINC001071265557 784887491 /nfs/dbraw/zinc/88/74/91/784887491.db2.gz MOSUWADINDXFHR-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N2CCN(CC)CC2=O)C1 ZINC001071265414 784888462 /nfs/dbraw/zinc/88/84/62/784888462.db2.gz HLJWNVXFGSJRNU-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N2CCN(CC)CC2=O)C1 ZINC001071265414 784888467 /nfs/dbraw/zinc/88/84/67/784888467.db2.gz HLJWNVXFGSJRNU-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 ZINC001071267679 784893889 /nfs/dbraw/zinc/89/38/89/784893889.db2.gz OIBCQCOPCVTJIA-JKSUJKDBSA-N 1 1 347.463 0.129 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277262 784922437 /nfs/dbraw/zinc/92/24/37/784922437.db2.gz OAQIVHCDCIJEFR-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)CN1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277555 784924879 /nfs/dbraw/zinc/92/48/79/784924879.db2.gz YKVHLVVBLKMZTM-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CCn1cncn1 ZINC001071431795 785079150 /nfs/dbraw/zinc/07/91/50/785079150.db2.gz VTZRLVIQOYACEN-GXTWGEPZSA-N 1 1 327.392 0.761 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC[C@H]1C ZINC001071896496 785290308 /nfs/dbraw/zinc/29/03/08/785290308.db2.gz GLRYGSBHLKKWHE-KGLIPLIRSA-N 1 1 341.415 0.937 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001071918593 785332682 /nfs/dbraw/zinc/33/26/82/785332682.db2.gz QGCSEOGLTXJRCQ-SWLSCSKDSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC001071621924 785407034 /nfs/dbraw/zinc/40/70/34/785407034.db2.gz DPBNPJUZRRJIIB-JQWIXIFHSA-N 1 1 327.406 0.696 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCn3cncn3)C2)cn1 ZINC001072001751 785507766 /nfs/dbraw/zinc/50/77/66/785507766.db2.gz GJMIFGRNCWHPQM-PBHICJAKSA-N 1 1 338.415 0.937 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C ZINC001071688909 785528329 /nfs/dbraw/zinc/52/83/29/785528329.db2.gz BEBQYULHCUARCS-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC)C1 ZINC001072022573 785539865 /nfs/dbraw/zinc/53/98/65/785539865.db2.gz BQPZVYNRIZALIJ-WMLDXEAASA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC)C1 ZINC001072022573 785539873 /nfs/dbraw/zinc/53/98/73/785539873.db2.gz BQPZVYNRIZALIJ-WMLDXEAASA-N 1 1 327.428 0.926 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cc2nc3ncccn3n2)CC[C@@H]1C ZINC001072073265 785623613 /nfs/dbraw/zinc/62/36/13/785623613.db2.gz WZNYEWDKYYAOIN-UONOGXRCSA-N 1 1 326.404 0.659 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)CC[C@H]1C ZINC001072073264 785623642 /nfs/dbraw/zinc/62/36/42/785623642.db2.gz WZNYEWDKYYAOIN-KGLIPLIRSA-N 1 1 326.404 0.659 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001072316478 786029846 /nfs/dbraw/zinc/02/98/46/786029846.db2.gz CSIVEDYJBXIASC-GOEBONIOSA-N 1 1 335.448 0.474 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001072389604 786121216 /nfs/dbraw/zinc/12/12/16/786121216.db2.gz FMOIDQFOTJCMRF-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C)c1 ZINC001072480658 786252332 /nfs/dbraw/zinc/25/23/32/786252332.db2.gz HRCMCSLTZSSRIR-YOEHRIQHSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CCOC4)C3)C2)C1=O ZINC001072532314 786334837 /nfs/dbraw/zinc/33/48/37/786334837.db2.gz GNBFWNDZLWNFPZ-CABCVRRESA-N 1 1 333.432 0.344 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CCc1nnn(C(C)(C)C)n1)C2 ZINC001072551365 786355326 /nfs/dbraw/zinc/35/53/26/786355326.db2.gz FGFMMRQAEZNEOM-CYBMUJFWSA-N 1 1 345.451 0.665 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCN(C3CCC3)C1=O)C2 ZINC001072552669 786357192 /nfs/dbraw/zinc/35/71/92/786357192.db2.gz RGMIGZNOYOIGBP-ZFWWWQNUSA-N 1 1 330.432 0.834 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CCC3(CN(C(=O)CC(N)=O)C3)C2)cc1 ZINC001072564995 786372389 /nfs/dbraw/zinc/37/23/89/786372389.db2.gz DLXZDDITBYQTMI-UHFFFAOYSA-N 1 1 342.399 0.499 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4[nH]cnc4C)C3)C2)C1=O ZINC001073494080 786425670 /nfs/dbraw/zinc/42/56/70/786425670.db2.gz YQVQXDQGKRCSMH-AWEZNQCLSA-N 1 1 343.431 0.653 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001073551640 786563806 /nfs/dbraw/zinc/56/38/06/786563806.db2.gz TWLVNGMYFGJTJW-RDJZCZTQSA-N 1 1 348.491 0.505 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001073551678 786565032 /nfs/dbraw/zinc/56/50/32/786565032.db2.gz VMQOFRYHVKTAIV-UHFFFAOYSA-N 1 1 345.447 0.513 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@H]21 ZINC001074293868 786612649 /nfs/dbraw/zinc/61/26/49/786612649.db2.gz FDLGBJGAUVGJSC-CABCVRRESA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@H]21 ZINC001074293868 786612655 /nfs/dbraw/zinc/61/26/55/786612655.db2.gz FDLGBJGAUVGJSC-CABCVRRESA-N 1 1 334.420 0.920 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)c[nH]1 ZINC001073575637 786655745 /nfs/dbraw/zinc/65/57/45/786655745.db2.gz KQYZOVVPYRSJRY-XJKSGUPXSA-N 1 1 332.404 0.744 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001073579133 786668591 /nfs/dbraw/zinc/66/85/91/786668591.db2.gz FTPKPGBLBMDNSW-CQSZACIVSA-N 1 1 349.479 0.231 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001073581891 786679828 /nfs/dbraw/zinc/67/98/28/786679828.db2.gz VDGVGLOHCDZAQZ-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001073603294 786753766 /nfs/dbraw/zinc/75/37/66/786753766.db2.gz BSWOPNVVIVEMSE-CQSZACIVSA-N 1 1 333.436 0.939 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cncc3[nH]cnc32)C1 ZINC001073611393 786767704 /nfs/dbraw/zinc/76/77/04/786767704.db2.gz VYCKWGMLALCFBD-ZDUSSCGKSA-N 1 1 327.388 0.802 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc3[nH]cnc32)C1 ZINC001073611393 786767711 /nfs/dbraw/zinc/76/77/11/786767711.db2.gz VYCKWGMLALCFBD-ZDUSSCGKSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3cc[nH]c3)C2)C1=O ZINC001073618204 786781660 /nfs/dbraw/zinc/78/16/60/786781660.db2.gz XEDOSHKDELHTFR-JKSUJKDBSA-N 1 1 346.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)c3cc[nH]c3)C2)C1=O ZINC001073618204 786781667 /nfs/dbraw/zinc/78/16/67/786781667.db2.gz XEDOSHKDELHTFR-JKSUJKDBSA-N 1 1 346.431 0.622 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073630312 786815617 /nfs/dbraw/zinc/81/56/17/786815617.db2.gz RRZFOBCQGZDDOK-GJZGRUSLSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001073630312 786815626 /nfs/dbraw/zinc/81/56/26/786815626.db2.gz RRZFOBCQGZDDOK-GJZGRUSLSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001073630762 786816556 /nfs/dbraw/zinc/81/65/56/786816556.db2.gz DHCNDGWNFUWUNH-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001073630762 786816564 /nfs/dbraw/zinc/81/65/64/786816564.db2.gz DHCNDGWNFUWUNH-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ncccc2NC(C)=O)C1 ZINC001073630805 786817852 /nfs/dbraw/zinc/81/78/52/786817852.db2.gz FSTFIUKUFWYOOG-AWEZNQCLSA-N 1 1 330.388 0.494 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ncccc2NC(C)=O)C1 ZINC001073630805 786817856 /nfs/dbraw/zinc/81/78/56/786817856.db2.gz FSTFIUKUFWYOOG-AWEZNQCLSA-N 1 1 330.388 0.494 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+]([C@H](CC)C(N)=O)CCCO1 ZINC001073637262 786838559 /nfs/dbraw/zinc/83/85/59/786838559.db2.gz UKZBZTLVUWARIO-LSDHHAIUSA-N 1 1 348.447 0.759 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+]([C@H](CC)C(N)=O)CCCO1 ZINC001073637262 786838572 /nfs/dbraw/zinc/83/85/72/786838572.db2.gz UKZBZTLVUWARIO-LSDHHAIUSA-N 1 1 348.447 0.759 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CC(F)F)n2)C1 ZINC001073648811 786868513 /nfs/dbraw/zinc/86/85/13/786868513.db2.gz DBRORYIVYQZYCA-CYBMUJFWSA-N 1 1 340.374 0.992 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001073654931 786884895 /nfs/dbraw/zinc/88/48/95/786884895.db2.gz QZDCBRMWRAVLKY-HUUCEWRRSA-N 1 1 346.431 0.298 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001073654931 786884904 /nfs/dbraw/zinc/88/49/04/786884904.db2.gz QZDCBRMWRAVLKY-HUUCEWRRSA-N 1 1 346.431 0.298 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001073657960 786894341 /nfs/dbraw/zinc/89/43/41/786894341.db2.gz SKYIBHNSNNKGDI-ZDUSSCGKSA-N 1 1 327.388 0.802 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001073657959 786895313 /nfs/dbraw/zinc/89/53/13/786895313.db2.gz SKYIBHNSNNKGDI-CYBMUJFWSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001073660424 786901003 /nfs/dbraw/zinc/90/10/03/786901003.db2.gz DQIOZISRWFFEKN-AWEZNQCLSA-N 1 1 342.461 0.204 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001073661009 786903984 /nfs/dbraw/zinc/90/39/84/786903984.db2.gz UEADMYSGBCKKPN-CQSZACIVSA-N 1 1 332.404 0.257 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001073664621 786912926 /nfs/dbraw/zinc/91/29/26/786912926.db2.gz KHHCYTFGTXLAIM-SJORKVTESA-N 1 1 339.480 0.880 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 ZINC001074415893 786913667 /nfs/dbraw/zinc/91/36/67/786913667.db2.gz YIPLKLCAEIDMSZ-GOEBONIOSA-N 1 1 348.447 0.605 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 ZINC001074415893 786913668 /nfs/dbraw/zinc/91/36/68/786913668.db2.gz YIPLKLCAEIDMSZ-GOEBONIOSA-N 1 1 348.447 0.605 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 ZINC001074415884 786914191 /nfs/dbraw/zinc/91/41/91/786914191.db2.gz YFGSQMTUQUNYPG-DZGCQCFKSA-N 1 1 334.420 0.215 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 ZINC001074415884 786914199 /nfs/dbraw/zinc/91/41/99/786914199.db2.gz YFGSQMTUQUNYPG-DZGCQCFKSA-N 1 1 334.420 0.215 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001074418998 786924932 /nfs/dbraw/zinc/92/49/32/786924932.db2.gz CWWAMUOKNDDCMT-HOTGVXAUSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001074418998 786924938 /nfs/dbraw/zinc/92/49/38/786924938.db2.gz CWWAMUOKNDDCMT-HOTGVXAUSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001073670823 786927198 /nfs/dbraw/zinc/92/71/98/786927198.db2.gz POECEMDTKVKCGN-GFCCVEGCSA-N 1 1 331.376 0.670 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC001073677992 786949850 /nfs/dbraw/zinc/94/98/50/786949850.db2.gz YOTQIVZRKSQYIF-ZDUSSCGKSA-N 1 1 327.388 0.754 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3sccn3c2=O)C1 ZINC001073684556 786966367 /nfs/dbraw/zinc/96/63/67/786966367.db2.gz UQVJMEJNNSECQN-LBPRGKRZSA-N 1 1 346.412 0.210 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3sccn3c2=O)C1 ZINC001073684556 786966374 /nfs/dbraw/zinc/96/63/74/786966374.db2.gz UQVJMEJNNSECQN-LBPRGKRZSA-N 1 1 346.412 0.210 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001073690893 786977998 /nfs/dbraw/zinc/97/79/98/786977998.db2.gz KRECALIMNCWJNA-CQSZACIVSA-N 1 1 332.404 0.510 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001073703367 787006561 /nfs/dbraw/zinc/00/65/61/787006561.db2.gz MSSPWXNUVARYRF-CABCVRRESA-N 1 1 347.419 0.149 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(N)=O)CCCO2)cc1 ZINC001073723945 787063520 /nfs/dbraw/zinc/06/35/20/787063520.db2.gz OVJMMJIABIYCCT-CZUORRHYSA-N 1 1 329.400 0.362 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)C(N)=O)CCCO2)cc1 ZINC001073723945 787063522 /nfs/dbraw/zinc/06/35/22/787063522.db2.gz OVJMMJIABIYCCT-CZUORRHYSA-N 1 1 329.400 0.362 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001073724657 787064402 /nfs/dbraw/zinc/06/44/02/787064402.db2.gz YWDKVXDYOXMFKG-OAHLLOKOSA-N 1 1 348.447 0.794 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001073726160 787067130 /nfs/dbraw/zinc/06/71/30/787067130.db2.gz FNZOUIHQWXSTGP-AWEZNQCLSA-N 1 1 329.404 0.975 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001073743227 787102047 /nfs/dbraw/zinc/10/20/47/787102047.db2.gz QPTRXDXMLROQRN-KGLIPLIRSA-N 1 1 347.381 0.711 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001073743227 787102052 /nfs/dbraw/zinc/10/20/52/787102052.db2.gz QPTRXDXMLROQRN-KGLIPLIRSA-N 1 1 347.381 0.711 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001073749249 787125237 /nfs/dbraw/zinc/12/52/37/787125237.db2.gz UQRMCNHIMWUYLL-WMZOPIPTSA-N 1 1 344.459 0.984 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001074518350 787152538 /nfs/dbraw/zinc/15/25/38/787152538.db2.gz GJXAXBFEVQKQCA-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001073766712 787162615 /nfs/dbraw/zinc/16/26/15/787162615.db2.gz MULMHJWXAATOQB-HNNXBMFYSA-N 1 1 343.431 0.531 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001073766712 787162622 /nfs/dbraw/zinc/16/26/22/787162622.db2.gz MULMHJWXAATOQB-HNNXBMFYSA-N 1 1 343.431 0.531 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001073769696 787169116 /nfs/dbraw/zinc/16/91/16/787169116.db2.gz OEJCNADBYIMSMP-KFWWJZLASA-N 1 1 339.436 0.015 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001073788349 787199545 /nfs/dbraw/zinc/19/95/45/787199545.db2.gz ICTMQJXLELEASW-AWEZNQCLSA-N 1 1 349.456 0.838 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001073788349 787199550 /nfs/dbraw/zinc/19/95/50/787199550.db2.gz ICTMQJXLELEASW-AWEZNQCLSA-N 1 1 349.456 0.838 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001073804773 787234483 /nfs/dbraw/zinc/23/44/83/787234483.db2.gz VIGFTDNJPFMBKU-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001073807564 787238814 /nfs/dbraw/zinc/23/88/14/787238814.db2.gz SVPBJKIZCSUZQF-JTQLQIEISA-N 1 1 345.325 0.288 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001073807564 787238817 /nfs/dbraw/zinc/23/88/17/787238817.db2.gz SVPBJKIZCSUZQF-JTQLQIEISA-N 1 1 345.325 0.288 20 30 ECEDMO C#CCCCCC(=O)N1CCC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001074555196 787247850 /nfs/dbraw/zinc/24/78/50/787247850.db2.gz QPHRECKTYWOKNP-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001073815569 787250108 /nfs/dbraw/zinc/25/01/08/787250108.db2.gz DSDGCVGIBXNZGU-HNNXBMFYSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001073815569 787250113 /nfs/dbraw/zinc/25/01/13/787250113.db2.gz DSDGCVGIBXNZGU-HNNXBMFYSA-N 1 1 339.399 0.926 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3nc[nH]n3)[C@H]2C)C1=O ZINC001074591890 787343278 /nfs/dbraw/zinc/34/32/78/787343278.db2.gz YVVUPAHFULJMTI-MELADBBJSA-N 1 1 346.435 0.103 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001073848164 787348823 /nfs/dbraw/zinc/34/88/23/787348823.db2.gz QXHCEVMAOCVGRV-OAHLLOKOSA-N 1 1 347.419 0.084 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001073848164 787348833 /nfs/dbraw/zinc/34/88/33/787348833.db2.gz QXHCEVMAOCVGRV-OAHLLOKOSA-N 1 1 347.419 0.084 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nccn3cc(C)nc23)C1 ZINC001073848615 787351650 /nfs/dbraw/zinc/35/16/50/787351650.db2.gz XGXCATLGCMFAQP-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001073853711 787368047 /nfs/dbraw/zinc/36/80/47/787368047.db2.gz LZNOYHHLFKPBAN-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001073861310 787386180 /nfs/dbraw/zinc/38/61/80/787386180.db2.gz BLKPLYRXCAMLSM-HNNXBMFYSA-N 1 1 344.415 0.285 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001073870738 787407372 /nfs/dbraw/zinc/40/73/72/787407372.db2.gz AXAFCEDTBBEZOK-AWEZNQCLSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001073870738 787407376 /nfs/dbraw/zinc/40/73/76/787407376.db2.gz AXAFCEDTBBEZOK-AWEZNQCLSA-N 1 1 327.388 0.422 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001074621775 787424869 /nfs/dbraw/zinc/42/48/69/787424869.db2.gz OCTLQCSMEBDOEI-UHFFFAOYSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001073886645 787439280 /nfs/dbraw/zinc/43/92/80/787439280.db2.gz TZXGKIFCDAYCSR-QGZVFWFLSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001073899088 787474238 /nfs/dbraw/zinc/47/42/38/787474238.db2.gz KXWZKVVXEALLSP-KRWDZBQOSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001073899088 787474240 /nfs/dbraw/zinc/47/42/40/787474240.db2.gz KXWZKVVXEALLSP-KRWDZBQOSA-N 1 1 349.475 0.865 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074642374 787483514 /nfs/dbraw/zinc/48/35/14/787483514.db2.gz QPRZITHUHZPHSU-UHFFFAOYSA-N 1 1 344.415 0.075 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001073959633 787585422 /nfs/dbraw/zinc/58/54/22/787585422.db2.gz HEQVKCFBBZXSPN-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001073960324 787587144 /nfs/dbraw/zinc/58/71/44/787587144.db2.gz MQIQJPWKRNADJV-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001074705497 787645130 /nfs/dbraw/zinc/64/51/30/787645130.db2.gz TUSDPFUQZZZWGW-PBHICJAKSA-N 1 1 348.447 0.102 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001074706454 787647931 /nfs/dbraw/zinc/64/79/31/787647931.db2.gz KZWLAAGHJOXYKZ-CYBMUJFWSA-N 1 1 338.452 0.346 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC(O)(CNC(=O)C#CC3CC3)CC2)C1 ZINC001074731020 787718893 /nfs/dbraw/zinc/71/88/93/787718893.db2.gz DUCXHCWZVPVXTN-HNNXBMFYSA-N 1 1 347.459 0.211 20 30 ECEDMO N#CCN1CC[NH+](Cc2ccc(CNC(=O)c3ncc[nH]3)cc2)CC1 ZINC001074111841 787901375 /nfs/dbraw/zinc/90/13/75/787901375.db2.gz AEIJJSVVUAITMF-UHFFFAOYSA-N 1 1 338.415 0.981 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001072686551 788591282 /nfs/dbraw/zinc/59/12/82/788591282.db2.gz PNFTVOIEDPFDKP-HNNXBMFYSA-N 1 1 340.383 0.701 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001072686551 788591289 /nfs/dbraw/zinc/59/12/89/788591289.db2.gz PNFTVOIEDPFDKP-HNNXBMFYSA-N 1 1 340.383 0.701 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001074993569 788684725 /nfs/dbraw/zinc/68/47/25/788684725.db2.gz RDQFZIRAOJKVFI-ZBFHGGJFSA-N 1 1 346.431 0.727 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)cn1 ZINC001072742550 788692058 /nfs/dbraw/zinc/69/20/58/788692058.db2.gz RWSVPRDRBQNUQJ-RHSMWYFYSA-N 1 1 342.443 0.981 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001074999474 788698044 /nfs/dbraw/zinc/69/80/44/788698044.db2.gz KRVCJYAZHGJDSN-HOCLYGCPSA-N 1 1 346.431 0.727 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC1CC1)C2 ZINC001072748017 788707311 /nfs/dbraw/zinc/70/73/11/788707311.db2.gz SAHTZKJCUOURGX-CVEARBPZSA-N 1 1 347.459 0.781 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC1CC1)C2 ZINC001072748017 788707318 /nfs/dbraw/zinc/70/73/18/788707318.db2.gz SAHTZKJCUOURGX-CVEARBPZSA-N 1 1 347.459 0.781 20 30 ECEDMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC3(C2)CCN(CC#N)C3)n[nH]1 ZINC001072757459 788730709 /nfs/dbraw/zinc/73/07/09/788730709.db2.gz JMRHAYFPDZRPGF-HNNXBMFYSA-N 1 1 328.420 0.848 20 30 ECEDMO C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC3(C2)CCN(CC#N)C3)n[nH]1 ZINC001072757459 788730714 /nfs/dbraw/zinc/73/07/14/788730714.db2.gz JMRHAYFPDZRPGF-HNNXBMFYSA-N 1 1 328.420 0.848 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C2)C1 ZINC001072798995 788822068 /nfs/dbraw/zinc/82/20/68/788822068.db2.gz DMILQSIQDHWVIZ-LBPRGKRZSA-N 1 1 339.823 0.811 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C2)C1 ZINC001072798995 788822077 /nfs/dbraw/zinc/82/20/77/788822077.db2.gz DMILQSIQDHWVIZ-LBPRGKRZSA-N 1 1 339.823 0.811 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3coc(S(N)(=O)=O)c3)C2)C1 ZINC001072864745 788990332 /nfs/dbraw/zinc/99/03/32/788990332.db2.gz QDZQOMCEJSGSEV-UHFFFAOYSA-N 1 1 337.401 0.098 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3sccc3-n3cnnn3)C2)C1 ZINC001072894862 789054333 /nfs/dbraw/zinc/05/43/33/789054333.db2.gz MEPNOWNZAOAVRS-UHFFFAOYSA-N 1 1 342.428 0.895 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001072903005 789074850 /nfs/dbraw/zinc/07/48/50/789074850.db2.gz KTDXMOCOOGYENY-AWEZNQCLSA-N 1 1 326.462 0.922 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072929956 789128527 /nfs/dbraw/zinc/12/85/27/789128527.db2.gz YZCNFEDYFJTDNE-HNNXBMFYSA-N 1 1 339.399 0.274 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072929956 789128528 /nfs/dbraw/zinc/12/85/28/789128528.db2.gz YZCNFEDYFJTDNE-HNNXBMFYSA-N 1 1 339.399 0.274 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4conc4C)C3)C2)C1=O ZINC001072938778 789142229 /nfs/dbraw/zinc/14/22/29/789142229.db2.gz KQUOTXSDOHIKKF-HNNXBMFYSA-N 1 1 344.415 0.918 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001072986699 789228338 /nfs/dbraw/zinc/22/83/38/789228338.db2.gz HFFFBXROGNCNOA-KDOFPFPSSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001073029044 789304697 /nfs/dbraw/zinc/30/46/97/789304697.db2.gz KEDAXFBPYPMEGK-CABCVRRESA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073029046 789305141 /nfs/dbraw/zinc/30/51/41/789305141.db2.gz KEDAXFBPYPMEGK-HUUCEWRRSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)C3(n4cnnn4)CCOCC3)C2)C1 ZINC001073048916 789346136 /nfs/dbraw/zinc/34/61/36/789346136.db2.gz NTEWDQDYIZDEKC-UHFFFAOYSA-N 1 1 346.435 0.289 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](CC)C(N)=O)C2 ZINC001073052393 789350650 /nfs/dbraw/zinc/35/06/50/789350650.db2.gz QWVHRCPSNOSHKM-ZNMIVQPWSA-N 1 1 335.448 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H](C)OC)CC1 ZINC001073121996 789477435 /nfs/dbraw/zinc/47/74/35/789477435.db2.gz SHMZQWUGFAGCLG-GJZGRUSLSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@H](C)OC)CC1 ZINC001073121996 789477439 /nfs/dbraw/zinc/47/74/39/789477439.db2.gz SHMZQWUGFAGCLG-GJZGRUSLSA-N 1 1 335.448 0.616 20 30 ECEDMO CC#CC[N@@H+]1CCC2(CN(C(=O)c3ccc(C(=O)NC)nc3)C2)C1 ZINC001073133142 789501478 /nfs/dbraw/zinc/50/14/78/789501478.db2.gz ADKPVZWSBDSSCX-UHFFFAOYSA-N 1 1 326.400 0.612 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](CC)C(N)=O)C3)cn1 ZINC001073136086 789507969 /nfs/dbraw/zinc/50/79/69/789507969.db2.gz ZKILLZVXSADXGP-HNNXBMFYSA-N 1 1 326.400 0.475 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001073183831 789587781 /nfs/dbraw/zinc/58/77/81/789587781.db2.gz VPYWYDTZLVWBKG-OAHLLOKOSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)COC)C(C)(C)C1 ZINC001073286753 789707666 /nfs/dbraw/zinc/70/76/66/789707666.db2.gz KILLPDDVXSODHY-GJZGRUSLSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)COC)C(C)(C)C1 ZINC001073286753 789707668 /nfs/dbraw/zinc/70/76/68/789707668.db2.gz KILLPDDVXSODHY-GJZGRUSLSA-N 1 1 335.448 0.474 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2N(c2ccnc(C#N)n2)CC3)C1 ZINC001069266310 789718026 /nfs/dbraw/zinc/71/80/26/789718026.db2.gz KCVCJVPYTRJTCE-PMUMKWKESA-N 1 1 340.431 0.918 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 ZINC001073418208 789811396 /nfs/dbraw/zinc/81/13/96/789811396.db2.gz RYSWQLUFISNJQS-OAHLLOKOSA-N 1 1 329.444 0.945 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC001073426189 789824180 /nfs/dbraw/zinc/82/41/80/789824180.db2.gz TYVUMIYLANIFBP-UHFFFAOYSA-N 1 1 346.822 0.954 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC001073426189 789824184 /nfs/dbraw/zinc/82/41/84/789824184.db2.gz TYVUMIYLANIFBP-UHFFFAOYSA-N 1 1 346.822 0.954 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C2)C1 ZINC001073452894 789860433 /nfs/dbraw/zinc/86/04/33/789860433.db2.gz XERYJYNFRLAMKZ-OAHLLOKOSA-N 1 1 327.432 0.707 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)COc3cccc(C(N)=O)c3)C2)C1 ZINC001073455421 789862819 /nfs/dbraw/zinc/86/28/19/789862819.db2.gz HVORPRRQHXAGOS-UHFFFAOYSA-N 1 1 341.411 0.722 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3ccnc(-n4cncn4)c3)C2)C1 ZINC001073485927 789891097 /nfs/dbraw/zinc/89/10/97/789891097.db2.gz IGBKSVLLYNVICJ-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3ccc(C#N)nn3)C(C)(C)C2)C1 ZINC001069552649 789894660 /nfs/dbraw/zinc/89/46/60/789894660.db2.gz CWNZDLXGKAVXQB-UONOGXRCSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3ccc(C#N)nn3)C(C)(C)C2)C1 ZINC001069552649 789894669 /nfs/dbraw/zinc/89/46/69/789894669.db2.gz CWNZDLXGKAVXQB-UONOGXRCSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3ccc(C#N)nc3)C(C)(C)C2)C1 ZINC001069553545 789896161 /nfs/dbraw/zinc/89/61/61/789896161.db2.gz YXXPVHKTIZMJTH-HZPDHXFCSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3ccc(C#N)nc3)C(C)(C)C2)C1 ZINC001069553545 789896164 /nfs/dbraw/zinc/89/61/64/789896164.db2.gz YXXPVHKTIZMJTH-HZPDHXFCSA-N 1 1 343.431 0.933 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001073492083 789900380 /nfs/dbraw/zinc/90/03/80/789900380.db2.gz UOHUJAFBDCPECB-NSHDSACASA-N 1 1 325.796 0.326 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001073492083 789900382 /nfs/dbraw/zinc/90/03/82/789900382.db2.gz UOHUJAFBDCPECB-NSHDSACASA-N 1 1 325.796 0.326 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](Nc3cnc(C#N)cn3)C(C)(C)C2)C1 ZINC001069572208 789908150 /nfs/dbraw/zinc/90/81/50/789908150.db2.gz PCWKNOVHDDCZHH-TZMCWYRMSA-N 1 1 328.420 0.949 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](Nc3ccc(C#N)nn3)C(C)(C)C2)C1 ZINC001069572402 789908644 /nfs/dbraw/zinc/90/86/44/789908644.db2.gz VBRHNOGFGZWAAF-TZMCWYRMSA-N 1 1 328.420 0.949 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069796497 790039398 /nfs/dbraw/zinc/03/93/98/790039398.db2.gz XIYZIIXREAHRLM-IYXRBSQSSA-N 1 1 328.420 0.656 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC(Nc3ccncc3C#N)C2)O1 ZINC001069801755 790041670 /nfs/dbraw/zinc/04/16/70/790041670.db2.gz YYBQYWBNPPCQIW-IGHZYHEGSA-N 1 1 343.431 0.496 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC(Nc3ccncc3C#N)C2)O1 ZINC001069801755 790041677 /nfs/dbraw/zinc/04/16/77/790041677.db2.gz YYBQYWBNPPCQIW-IGHZYHEGSA-N 1 1 343.431 0.496 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2=CCN(c3ncccc3C#N)CC2)C1 ZINC001069815777 790050075 /nfs/dbraw/zinc/05/00/75/790050075.db2.gz XWWDMMAPUKHTHA-INIZCTEOSA-N 1 1 341.415 0.537 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2=CCN(c3ncccc3C#N)CC2)C1 ZINC001069815777 790050078 /nfs/dbraw/zinc/05/00/78/790050078.db2.gz XWWDMMAPUKHTHA-INIZCTEOSA-N 1 1 341.415 0.537 20 30 ECEDMO Cc1cc(C#N)nc(N2CC=C(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001069820332 790054885 /nfs/dbraw/zinc/05/48/85/790054885.db2.gz KSMLJPHTXUKLHN-HNNXBMFYSA-N 1 1 340.431 0.861 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(c2nccnc2C#N)CC1 ZINC001069830838 790064591 /nfs/dbraw/zinc/06/45/91/790064591.db2.gz HUCRBSIAHHHGLQ-DZGCQCFKSA-N 1 1 340.431 0.799 20 30 ECEDMO C=CCN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864417 790120673 /nfs/dbraw/zinc/12/06/73/790120673.db2.gz OHVKGWQBMXUSFD-CZUORRHYSA-N 1 1 333.436 0.220 20 30 ECEDMO C=CCN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864417 790120676 /nfs/dbraw/zinc/12/06/76/790120676.db2.gz OHVKGWQBMXUSFD-CZUORRHYSA-N 1 1 333.436 0.220 20 30 ECEDMO C=CCCN1CCn2ncc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)c2C1 ZINC001069883233 790149400 /nfs/dbraw/zinc/14/94/00/790149400.db2.gz XECQVSOBFGGCNU-KRWDZBQOSA-N 1 1 347.463 0.612 20 30 ECEDMO C=CCCN1CCn2ncc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)c2C1 ZINC001069883233 790149401 /nfs/dbraw/zinc/14/94/01/790149401.db2.gz XECQVSOBFGGCNU-KRWDZBQOSA-N 1 1 347.463 0.612 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069895755 790164067 /nfs/dbraw/zinc/16/40/67/790164067.db2.gz JOHWSNNWWZDNSB-CABCVRRESA-N 1 1 329.408 0.551 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069895755 790164070 /nfs/dbraw/zinc/16/40/70/790164070.db2.gz JOHWSNNWWZDNSB-CABCVRRESA-N 1 1 329.408 0.551 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](n2ccnn2)C1 ZINC001069897816 790165744 /nfs/dbraw/zinc/16/57/44/790165744.db2.gz JGEWIXPFEZTFNL-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](n2ccnn2)C1 ZINC001069897816 790165747 /nfs/dbraw/zinc/16/57/47/790165747.db2.gz JGEWIXPFEZTFNL-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069898375 790166404 /nfs/dbraw/zinc/16/64/04/790166404.db2.gz KPSWZUXMYYVRCE-CABCVRRESA-N 1 1 327.392 0.242 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069898375 790166408 /nfs/dbraw/zinc/16/64/08/790166408.db2.gz KPSWZUXMYYVRCE-CABCVRRESA-N 1 1 327.392 0.242 20 30 ECEDMO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911646 790180821 /nfs/dbraw/zinc/18/08/21/790180821.db2.gz DMHWNASMCKLEJX-DFBGVHRSSA-N 1 1 343.391 0.168 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069937692 790211772 /nfs/dbraw/zinc/21/17/72/790211772.db2.gz IOKXPCGMURCAGC-KGLIPLIRSA-N 1 1 338.375 0.391 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069937692 790211776 /nfs/dbraw/zinc/21/17/76/790211776.db2.gz IOKXPCGMURCAGC-KGLIPLIRSA-N 1 1 338.375 0.391 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069957119 790238927 /nfs/dbraw/zinc/23/89/27/790238927.db2.gz QRDSIXPWAJUARJ-KEYYUXOJSA-N 1 1 346.435 0.112 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001069968022 790255199 /nfs/dbraw/zinc/25/51/99/790255199.db2.gz BDTOYMGGUWCPJB-HIFRSBDPSA-N 1 1 329.408 0.415 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001069968022 790255204 /nfs/dbraw/zinc/25/52/04/790255204.db2.gz BDTOYMGGUWCPJB-HIFRSBDPSA-N 1 1 329.408 0.415 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001068860262 791284521 /nfs/dbraw/zinc/28/45/21/791284521.db2.gz HFIYISYJJPIGRT-MRXNPFEDSA-N 1 1 347.459 0.618 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001068864128 791297655 /nfs/dbraw/zinc/29/76/55/791297655.db2.gz DXRCYCKUFLLEMZ-HNNXBMFYSA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068871047 791314340 /nfs/dbraw/zinc/31/43/40/791314340.db2.gz KWBSBHOYSMSJRK-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885421 791342524 /nfs/dbraw/zinc/34/25/24/791342524.db2.gz VYSFOISGRUQHSU-BZUAXINKSA-N 1 1 347.459 0.616 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)CO2 ZINC001068904714 791382651 /nfs/dbraw/zinc/38/26/51/791382651.db2.gz BKDHTASNBGFWEN-CHWSQXEVSA-N 1 1 334.420 0.116 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)CO2 ZINC001068917677 791416616 /nfs/dbraw/zinc/41/66/16/791416616.db2.gz ZIAKRRGNFSDAAT-JKSUJKDBSA-N 1 1 347.459 0.616 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)[C@H]1C ZINC001068919664 791421428 /nfs/dbraw/zinc/42/14/28/791421428.db2.gz DHAMDSLGHLKOPJ-OLZOCXBDSA-N 1 1 325.376 0.377 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068950140 791488208 /nfs/dbraw/zinc/48/82/08/791488208.db2.gz UVPGSBAXKZWGLM-UONOGXRCSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)CO2 ZINC001069040718 791637553 /nfs/dbraw/zinc/63/75/53/791637553.db2.gz QSWHMYJEOHGEEI-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001069040645 791637827 /nfs/dbraw/zinc/63/78/27/791637827.db2.gz PZMFOOMOTIKJLQ-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2cncc(C#N)n2)C[C@@H]1C ZINC001069107914 791708417 /nfs/dbraw/zinc/70/84/17/791708417.db2.gz UDFOBABHPUHKEJ-WCQYABFASA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C[C@@H]1C ZINC001069107864 791708705 /nfs/dbraw/zinc/70/87/05/791708705.db2.gz SVDDQVWHOQCCON-AAEUAGOBSA-N 1 1 325.376 0.377 20 30 ECEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119228 791720076 /nfs/dbraw/zinc/72/00/76/791720076.db2.gz PXYSBDCSNJDINT-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)C[C@H]1C ZINC001069175473 791759584 /nfs/dbraw/zinc/75/95/84/791759584.db2.gz JNCGHGHZGQBULC-DGCLKSJQSA-N 1 1 325.376 0.377 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](CNc2cnc(C#N)cn2)C1 ZINC001066675812 791969859 /nfs/dbraw/zinc/96/98/59/791969859.db2.gz UFFPDOOOOANQMK-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001066675880 791970062 /nfs/dbraw/zinc/97/00/62/791970062.db2.gz VSNWUGSAEKUJTM-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](CNc2cncc(C#N)n2)C1 ZINC001066675894 791970356 /nfs/dbraw/zinc/97/03/56/791970356.db2.gz WLGUWAYICXWXIE-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066697710 792013416 /nfs/dbraw/zinc/01/34/16/792013416.db2.gz ATTUADFXYPGXHS-YOEHRIQHSA-N 1 1 338.415 0.836 20 30 ECEDMO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001067723637 792189765 /nfs/dbraw/zinc/18/97/65/792189765.db2.gz PRPMXVHOVVCSCR-LBPRGKRZSA-N 1 1 335.408 0.816 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)c1ccnc(C#N)n1 ZINC001067763212 792246587 /nfs/dbraw/zinc/24/65/87/792246587.db2.gz SLMPKHJLFIWNKI-ZIAGYGMSSA-N 1 1 328.420 0.727 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(C#N)nn1 ZINC001067762769 792246657 /nfs/dbraw/zinc/24/66/57/792246657.db2.gz HSALTQBIDVVNFZ-DZGCQCFKSA-N 1 1 328.420 0.727 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1CN(C)c1ccc(C#N)nn1 ZINC001067781913 792277502 /nfs/dbraw/zinc/27/75/02/792277502.db2.gz HBAPQJVOMNFQRJ-OAHLLOKOSA-N 1 1 339.403 0.981 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(Nc3ccncc3C#N)C2)C1 ZINC001066905860 792338466 /nfs/dbraw/zinc/33/84/66/792338466.db2.gz CGYNGFWNEGGAEQ-KDOFPFPSSA-N 1 1 343.431 0.092 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CC(CNc2cncc(C#N)n2)C1 ZINC001067853003 792373566 /nfs/dbraw/zinc/37/35/66/792373566.db2.gz VMHBQWKFRJPANW-UHFFFAOYSA-N 1 1 325.376 0.860 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)COC(C)C ZINC001066966971 792480711 /nfs/dbraw/zinc/48/07/11/792480711.db2.gz QGBIVPTVQMYFCH-INIZCTEOSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)COC(C)C ZINC001066966971 792480715 /nfs/dbraw/zinc/48/07/15/792480715.db2.gz QGBIVPTVQMYFCH-INIZCTEOSA-N 1 1 337.464 0.816 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3ccc(C#N)nn3)CC2(C)C)C1 ZINC001068102141 792673587 /nfs/dbraw/zinc/67/35/87/792673587.db2.gz IKMXIYPKASTREY-KGLIPLIRSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3ccc(C#N)nn3)CC2(C)C)C1 ZINC001068102141 792673590 /nfs/dbraw/zinc/67/35/90/792673590.db2.gz IKMXIYPKASTREY-KGLIPLIRSA-N 1 1 344.419 0.010 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001067166989 792770002 /nfs/dbraw/zinc/77/00/02/792770002.db2.gz PSKIZPCMLWJBJT-YPMHNXCESA-N 1 1 325.376 0.234 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)C1 ZINC001068174921 792786764 /nfs/dbraw/zinc/78/67/64/792786764.db2.gz ITSJZDGSCLKDIZ-NGFQHRJXSA-N 1 1 326.404 0.098 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)CC[N@H+]1C ZINC001068207120 792826963 /nfs/dbraw/zinc/82/69/63/792826963.db2.gz JAUUSSJCOVUYKO-RYPNDVFKSA-N 1 1 340.431 0.487 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3nccnc3C#N)CC2)C1 ZINC001067250284 792887016 /nfs/dbraw/zinc/88/70/16/792887016.db2.gz IHLIRKWNJJTGCW-CQSZACIVSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3nccnc3C#N)CC2)C1 ZINC001067250284 792887023 /nfs/dbraw/zinc/88/70/23/792887023.db2.gz IHLIRKWNJJTGCW-CQSZACIVSA-N 1 1 344.419 0.472 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067293086 792947233 /nfs/dbraw/zinc/94/72/33/792947233.db2.gz IKDMAPKWPBGMCM-RHSMWYFYSA-N 1 1 325.453 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H](OC)C1CC1 ZINC001067305031 792967241 /nfs/dbraw/zinc/96/72/41/792967241.db2.gz PASBUHIDAKXJFU-IRXDYDNUSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H](OC)C1CC1 ZINC001067305031 792967247 /nfs/dbraw/zinc/96/72/47/792967247.db2.gz PASBUHIDAKXJFU-IRXDYDNUSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001067431658 793149115 /nfs/dbraw/zinc/14/91/15/793149115.db2.gz UFPBBQFTYJXSRL-IRXDYDNUSA-N 1 1 347.459 0.429 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001067431658 793149120 /nfs/dbraw/zinc/14/91/20/793149120.db2.gz UFPBBQFTYJXSRL-IRXDYDNUSA-N 1 1 347.459 0.429 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001068398872 793215271 /nfs/dbraw/zinc/21/52/71/793215271.db2.gz HXJOCHWBWWURJW-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001068399057 793216655 /nfs/dbraw/zinc/21/66/55/793216655.db2.gz OSKKOKBSNNDVCC-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCOC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001068408795 793249814 /nfs/dbraw/zinc/24/98/14/793249814.db2.gz LXBUMBLPULEGIQ-ZDUSSCGKSA-N 1 1 336.436 0.316 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)Cn1c[nH+]cc1C)CCO2 ZINC001068413242 793263367 /nfs/dbraw/zinc/26/33/67/793263367.db2.gz BYXMVUCTZCNNMA-UHFFFAOYSA-N 1 1 332.404 0.598 20 30 ECEDMO C=CCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001068451601 793334897 /nfs/dbraw/zinc/33/48/97/793334897.db2.gz QCWPAXHESRLKSG-HZPDHXFCSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC001267440695 837420747 /nfs/dbraw/zinc/42/07/47/837420747.db2.gz WGWBJFDZONTGMM-ZDUSSCGKSA-N 1 1 341.415 0.671 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)c2cc(CC)[nH]n2)CC1 ZINC001267482427 837538139 /nfs/dbraw/zinc/53/81/39/837538139.db2.gz JTLMEUNNXMSGAA-ZDUSSCGKSA-N 1 1 345.447 0.552 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1snnc1C)C(C)C ZINC001267498687 837570932 /nfs/dbraw/zinc/57/09/32/837570932.db2.gz ZKXWDXWVYXZEQC-UHFFFAOYSA-N 1 1 337.449 0.426 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)c1cc(C#N)c[nH]1)CC(=O)N1CCC1 ZINC001267498904 837571745 /nfs/dbraw/zinc/57/17/45/837571745.db2.gz CYRZVKGHRHHQCJ-UHFFFAOYSA-N 1 1 331.420 0.949 20 30 ECEDMO C[C@H]([NH2+][C@H](CNC(=O)C#CC1CC1)c1ccccc1)C(=O)NC(N)=O ZINC001267519854 837669195 /nfs/dbraw/zinc/66/91/95/837669195.db2.gz JKOBJVSKCLITEM-SWLSCSKDSA-N 1 1 342.399 0.430 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001267522821 837678085 /nfs/dbraw/zinc/67/80/85/837678085.db2.gz CYRDEXADRAKDQM-CYBMUJFWSA-N 1 1 329.404 0.630 20 30 ECEDMO Cc1nscc1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267523704 837680661 /nfs/dbraw/zinc/68/06/61/837680661.db2.gz LBPHQQZWSXWAJP-GFCCVEGCSA-N 1 1 335.433 0.533 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cncnc2)C1 ZINC001267524569 837687422 /nfs/dbraw/zinc/68/74/22/837687422.db2.gz VDTHJZVDILMKRU-ZIAGYGMSSA-N 1 1 329.404 0.056 20 30 ECEDMO CC[C@@]1(C(=O)NCC[C@H]2CC[N@@H+](CC#CCOC)C2)CCNC1=O ZINC001267536369 837716218 /nfs/dbraw/zinc/71/62/18/837716218.db2.gz RMPNNRMWOROEIX-YJBOKZPZSA-N 1 1 335.448 0.381 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001267540575 837724791 /nfs/dbraw/zinc/72/47/91/837724791.db2.gz PFSOBSOGROUOAY-RDBSUJKOSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001267540575 837724802 /nfs/dbraw/zinc/72/48/02/837724802.db2.gz PFSOBSOGROUOAY-RDBSUJKOSA-N 1 1 341.402 0.950 20 30 ECEDMO CCCN(C(=O)c1cn[nH]c(=O)c1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267541524 837727974 /nfs/dbraw/zinc/72/79/74/837727974.db2.gz CNRCXYLFPCWPBL-HNNXBMFYSA-N 1 1 332.404 0.759 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CCNC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001267543505 837730642 /nfs/dbraw/zinc/73/06/42/837730642.db2.gz DIPGLQQFXQFUGY-YJBOKZPZSA-N 1 1 337.464 0.934 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCC)[C@@H]2CC[N@@H+](CCOCCO)C2)nc1 ZINC001267548555 837747614 /nfs/dbraw/zinc/74/76/14/837747614.db2.gz IDJFPJWVMTZITC-QGZVFWFLSA-N 1 1 345.443 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001267552891 837755354 /nfs/dbraw/zinc/75/53/54/837755354.db2.gz WRZZVTMAKOFBBK-OAHLLOKOSA-N 1 1 341.415 0.348 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CCNC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001267554830 837759986 /nfs/dbraw/zinc/75/99/86/837759986.db2.gz XCKGADDDKOEMHR-GDBMZVCRSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cncc(C)c2)C1 ZINC001267554639 837760162 /nfs/dbraw/zinc/76/01/62/837760162.db2.gz WCQOQSIJPQNUDW-JKSUJKDBSA-N 1 1 342.443 0.970 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](CCNC(=O)C#CC3CC3)C2)CCO1 ZINC001267555327 837760531 /nfs/dbraw/zinc/76/05/31/837760531.db2.gz FKKKLKHQLBDJPA-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCCCC(=O)NCC[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001267556288 837763560 /nfs/dbraw/zinc/76/35/60/837763560.db2.gz OYLAIUJLXPGOEP-INIZCTEOSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2C)C1 ZINC001267557728 837765782 /nfs/dbraw/zinc/76/57/82/837765782.db2.gz LLRANSNOJGUCCU-CVEARBPZSA-N 1 1 334.464 0.048 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2C)C1 ZINC001267557728 837765790 /nfs/dbraw/zinc/76/57/90/837765790.db2.gz LLRANSNOJGUCCU-CVEARBPZSA-N 1 1 334.464 0.048 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)c2occ3c2CCC3)C1 ZINC001267561929 837773800 /nfs/dbraw/zinc/77/38/00/837773800.db2.gz RXVZEDRNCZXCET-ZDUSSCGKSA-N 1 1 344.415 0.850 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001267562205 837774725 /nfs/dbraw/zinc/77/47/25/837774725.db2.gz YKGWGDYHDSHZKN-LESCRADOSA-N 1 1 347.459 0.379 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H]2CC[N@H+](CC(=O)N(C)CC)C2)c1 ZINC001267564942 837781838 /nfs/dbraw/zinc/78/18/38/837781838.db2.gz HUESKCRONVZNHQ-INIZCTEOSA-N 1 1 342.443 0.983 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H]2CC[N@H+](CCOCCO)C2)c1 ZINC001267565766 837783101 /nfs/dbraw/zinc/78/31/01/837783101.db2.gz UHZYGHQLKTYKNJ-INIZCTEOSA-N 1 1 331.416 0.514 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2c(OC)ccnc2OC)CC1 ZINC001267572899 837811549 /nfs/dbraw/zinc/81/15/49/837811549.db2.gz APESNNJQEQWQQL-UHFFFAOYSA-N 1 1 346.431 0.422 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC001267574851 837824684 /nfs/dbraw/zinc/82/46/84/837824684.db2.gz UTYKUBZFZZFPLR-UHFFFAOYSA-N 1 1 346.479 0.746 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC001267576974 837833631 /nfs/dbraw/zinc/83/36/31/837833631.db2.gz CLXLZPDUUONGCI-KGLIPLIRSA-N 1 1 329.404 0.008 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001266243927 835550141 /nfs/dbraw/zinc/55/01/41/835550141.db2.gz FPECRZGFKXIEAF-AWEZNQCLSA-N 1 1 336.436 0.817 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001266248775 835553951 /nfs/dbraw/zinc/55/39/51/835553951.db2.gz QMDYDXCXJDRABV-ZFWWWQNUSA-N 1 1 327.450 0.062 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)c2cc(OC)n(C)n2)CC1 ZINC001266266952 835582904 /nfs/dbraw/zinc/58/29/04/835582904.db2.gz JHBNJEHGUFDNBA-UHFFFAOYSA-N 1 1 333.436 0.190 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)[C@]23CCO[C@H]2CCCC3)CC1 ZINC001266267013 835583488 /nfs/dbraw/zinc/58/34/88/835583488.db2.gz LBTYLDZUSWHQKU-FUHWJXTLSA-N 1 1 334.464 0.983 20 30 ECEDMO C=C(C)CN1CC[NH+](CCCNC(=O)c2cccc(C(N)=O)n2)CC1 ZINC001266277537 835603135 /nfs/dbraw/zinc/60/31/35/835603135.db2.gz FRSGCGXROVGPLN-UHFFFAOYSA-N 1 1 345.447 0.494 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)c2ccc3nccnc3c2)CC1 ZINC001266277447 835603352 /nfs/dbraw/zinc/60/33/52/835603352.db2.gz AJUINHVXZAAISJ-UHFFFAOYSA-N 1 1 338.415 0.891 20 30 ECEDMO C=CCN1CC[C@H](N(C)CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1=O ZINC001266280623 835608782 /nfs/dbraw/zinc/60/87/82/835608782.db2.gz MEKJDARGKLDNQN-HOTGVXAUSA-N 1 1 336.480 0.696 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC001266285829 835621456 /nfs/dbraw/zinc/62/14/56/835621456.db2.gz OOYMLXQNLLPPAQ-QGZVFWFLSA-N 1 1 348.491 0.248 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001266285952 835621866 /nfs/dbraw/zinc/62/18/66/835621866.db2.gz SSNDLMFWFRQIRE-SJORKVTESA-N 1 1 337.464 0.185 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C(=O)Nc2ccccc2)C1=O ZINC001266293070 835638066 /nfs/dbraw/zinc/63/80/66/835638066.db2.gz HKZOUSYMTWBDLJ-OAHLLOKOSA-N 1 1 344.415 0.460 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C(=O)Nc2ccccc2)C1=O ZINC001266293070 835638071 /nfs/dbraw/zinc/63/80/71/835638071.db2.gz HKZOUSYMTWBDLJ-OAHLLOKOSA-N 1 1 344.415 0.460 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001266299612 835656926 /nfs/dbraw/zinc/65/69/26/835656926.db2.gz UUXCVHBXAYWAHP-CQSZACIVSA-N 1 1 337.420 0.490 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001266299612 835656930 /nfs/dbraw/zinc/65/69/30/835656930.db2.gz UUXCVHBXAYWAHP-CQSZACIVSA-N 1 1 337.420 0.490 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001266299611 835657010 /nfs/dbraw/zinc/65/70/10/835657010.db2.gz UUXCVHBXAYWAHP-AWEZNQCLSA-N 1 1 337.420 0.490 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)C1 ZINC001266299611 835657014 /nfs/dbraw/zinc/65/70/14/835657014.db2.gz UUXCVHBXAYWAHP-AWEZNQCLSA-N 1 1 337.420 0.490 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](C)Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC001266306340 835671079 /nfs/dbraw/zinc/67/10/79/835671079.db2.gz NCJYBDYNWOLJFA-UHFFFAOYSA-N 1 1 349.394 0.866 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001266332988 835714292 /nfs/dbraw/zinc/71/42/92/835714292.db2.gz DXWLADTVWLZEJT-KBPBESRZSA-N 1 1 343.493 0.671 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCCF)C1 ZINC001266335980 835718979 /nfs/dbraw/zinc/71/89/79/835718979.db2.gz HWQPAOKVSDJONJ-VXGBXAGGSA-N 1 1 328.388 0.327 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCCF)C1 ZINC001266335980 835718987 /nfs/dbraw/zinc/71/89/87/835718987.db2.gz HWQPAOKVSDJONJ-VXGBXAGGSA-N 1 1 328.388 0.327 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001266342397 835728318 /nfs/dbraw/zinc/72/83/18/835728318.db2.gz RNSCJFRRJQSEOB-ZBFHGGJFSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001266342397 835728321 /nfs/dbraw/zinc/72/83/21/835728321.db2.gz RNSCJFRRJQSEOB-ZBFHGGJFSA-N 1 1 343.493 0.815 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC3CC3)C2)c1 ZINC001266349768 835745041 /nfs/dbraw/zinc/74/50/41/835745041.db2.gz MCAYOHBDKDVBAI-MRXNPFEDSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3CC3)C2)c1 ZINC001266349768 835745049 /nfs/dbraw/zinc/74/50/49/835745049.db2.gz MCAYOHBDKDVBAI-MRXNPFEDSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC3CC3)C2)cc1 ZINC001266349750 835745236 /nfs/dbraw/zinc/74/52/36/835745236.db2.gz LVKUIWDGDUUHIW-MRXNPFEDSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3CC3)C2)cc1 ZINC001266349750 835745248 /nfs/dbraw/zinc/74/52/48/835745248.db2.gz LVKUIWDGDUUHIW-MRXNPFEDSA-N 1 1 326.400 0.775 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001266352970 835753456 /nfs/dbraw/zinc/75/34/56/835753456.db2.gz LZAXSBJXCMMJTL-CYBMUJFWSA-N 1 1 340.383 0.789 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001266352970 835753467 /nfs/dbraw/zinc/75/34/67/835753467.db2.gz LZAXSBJXCMMJTL-CYBMUJFWSA-N 1 1 340.383 0.789 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC001266358629 835765482 /nfs/dbraw/zinc/76/54/82/835765482.db2.gz FSSYKKHUZVZSHE-AAEUAGOBSA-N 1 1 336.461 0.875 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC001266358629 835765488 /nfs/dbraw/zinc/76/54/88/835765488.db2.gz FSSYKKHUZVZSHE-AAEUAGOBSA-N 1 1 336.461 0.875 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001266361302 835771187 /nfs/dbraw/zinc/77/11/87/835771187.db2.gz KTCGXIZYDTVDOX-CABCVRRESA-N 1 1 333.436 0.542 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H](C)CO2)CC1 ZINC001266389014 835798051 /nfs/dbraw/zinc/79/80/51/835798051.db2.gz ZLGJWQNXKRHNNR-RDJZCZTQSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@H+](CC)[C@@H]1CCN(C2CCC2)C1=O ZINC001266390960 835799864 /nfs/dbraw/zinc/79/98/64/835799864.db2.gz UDMSXHNMQJSDBN-GOEBONIOSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001266406220 835812409 /nfs/dbraw/zinc/81/24/09/835812409.db2.gz XWXGZEFETKRFLT-UHFFFAOYSA-N 1 1 343.387 0.471 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001266406220 835812417 /nfs/dbraw/zinc/81/24/17/835812417.db2.gz XWXGZEFETKRFLT-UHFFFAOYSA-N 1 1 343.387 0.471 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)C1(C)CC(=C)C1 ZINC001266416749 835821574 /nfs/dbraw/zinc/82/15/74/835821574.db2.gz MACUGFHQZGBLCX-UHFFFAOYSA-N 1 1 336.436 0.793 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)C1(C)CC(=C)C1 ZINC001266416749 835821583 /nfs/dbraw/zinc/82/15/83/835821583.db2.gz MACUGFHQZGBLCX-UHFFFAOYSA-N 1 1 336.436 0.793 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cnn2ccccc12 ZINC001266422765 835826364 /nfs/dbraw/zinc/82/63/64/835826364.db2.gz OVTJLZPKAYSWKS-CQSZACIVSA-N 1 1 341.415 0.524 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cnn2ccccc12 ZINC001266422765 835826369 /nfs/dbraw/zinc/82/63/69/835826369.db2.gz OVTJLZPKAYSWKS-CQSZACIVSA-N 1 1 341.415 0.524 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]([NH2+]Cc2nnc(C)s2)C2CC2)nn1 ZINC001266434292 835837903 /nfs/dbraw/zinc/83/79/03/835837903.db2.gz VNSDKQVPXVSXCG-GFCCVEGCSA-N 1 1 347.448 0.922 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC(=O)NCC=C ZINC001266460679 835861835 /nfs/dbraw/zinc/86/18/35/835861835.db2.gz BDEKWCQGGNSRCT-CABCVRRESA-N 1 1 348.447 0.771 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(=O)NCC=C ZINC001266460679 835861838 /nfs/dbraw/zinc/86/18/38/835861838.db2.gz BDEKWCQGGNSRCT-CABCVRRESA-N 1 1 348.447 0.771 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001266459856 835861891 /nfs/dbraw/zinc/86/18/91/835861891.db2.gz UOFLNTTVDQHNEQ-HZPDHXFCSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001266461013 835863750 /nfs/dbraw/zinc/86/37/50/835863750.db2.gz HREWVFOEVXJSCQ-GOEBONIOSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001266461013 835863759 /nfs/dbraw/zinc/86/37/59/835863759.db2.gz HREWVFOEVXJSCQ-GOEBONIOSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001266468566 835872210 /nfs/dbraw/zinc/87/22/10/835872210.db2.gz SLHPYEGYTBIIFI-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1nc(C)cc1C ZINC001266474049 835877341 /nfs/dbraw/zinc/87/73/41/835877341.db2.gz GUGKCAATQNTVDU-INIZCTEOSA-N 1 1 345.447 0.220 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCn1nc(C)cc1C ZINC001266474049 835877344 /nfs/dbraw/zinc/87/73/44/835877344.db2.gz GUGKCAATQNTVDU-INIZCTEOSA-N 1 1 345.447 0.220 20 30 ECEDMO CC#CCCCC(=O)NC[C@@H]1CCC[N@@H+]1CCN(C)S(C)(=O)=O ZINC001266477118 835878671 /nfs/dbraw/zinc/87/86/71/835878671.db2.gz JFBKLNLCAXBMMJ-HNNXBMFYSA-N 1 1 343.493 0.652 20 30 ECEDMO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+]1CCN(C)S(C)(=O)=O ZINC001266477118 835878674 /nfs/dbraw/zinc/87/86/74/835878674.db2.gz JFBKLNLCAXBMMJ-HNNXBMFYSA-N 1 1 343.493 0.652 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(=O)n1C ZINC001266483255 835882740 /nfs/dbraw/zinc/88/27/40/835882740.db2.gz RINDWHAGOPVOOE-ZIAGYGMSSA-N 1 1 346.431 0.270 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(=O)n1C ZINC001266483255 835882744 /nfs/dbraw/zinc/88/27/44/835882744.db2.gz RINDWHAGOPVOOE-ZIAGYGMSSA-N 1 1 346.431 0.270 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1cccn1 ZINC001266489046 835889723 /nfs/dbraw/zinc/88/97/23/835889723.db2.gz VVPQCCXCYAKGHL-HUUCEWRRSA-N 1 1 331.420 0.164 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1cccn1 ZINC001266489046 835889728 /nfs/dbraw/zinc/88/97/28/835889728.db2.gz VVPQCCXCYAKGHL-HUUCEWRRSA-N 1 1 331.420 0.164 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001266492479 835892534 /nfs/dbraw/zinc/89/25/34/835892534.db2.gz PVCIVWSTXDVMLM-OAHLLOKOSA-N 1 1 330.432 0.586 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001266492479 835892539 /nfs/dbraw/zinc/89/25/39/835892539.db2.gz PVCIVWSTXDVMLM-OAHLLOKOSA-N 1 1 330.432 0.586 20 30 ECEDMO C#CCC1(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC(N)=O)CCCCC1 ZINC001266495771 835895930 /nfs/dbraw/zinc/89/59/30/835895930.db2.gz UJEIRVDKOJKSCB-CQSZACIVSA-N 1 1 348.447 0.736 20 30 ECEDMO C#CCC1(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC(N)=O)CCCCC1 ZINC001266495771 835895936 /nfs/dbraw/zinc/89/59/36/835895936.db2.gz UJEIRVDKOJKSCB-CQSZACIVSA-N 1 1 348.447 0.736 20 30 ECEDMO COCC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC(C)C)C(N)=O)C[C@H]2C1 ZINC001279416580 835897627 /nfs/dbraw/zinc/89/76/27/835897627.db2.gz WHYXGNXTKLTMIV-OWCLPIDISA-N 1 1 335.448 0.174 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)COCC=C)C2)CC1 ZINC001266504793 835905566 /nfs/dbraw/zinc/90/55/66/835905566.db2.gz SJIUBTUERULKAR-QGZVFWFLSA-N 1 1 347.459 0.595 20 30 ECEDMO O=C(C#CC1CC1)NC[C@H]1CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001266511129 835918580 /nfs/dbraw/zinc/91/85/80/835918580.db2.gz JTJTVYBLHZMLEF-CVEARBPZSA-N 1 1 338.473 0.663 20 30 ECEDMO CC#CCCCC(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001266528176 835943220 /nfs/dbraw/zinc/94/32/20/835943220.db2.gz KXRVKUZTJNOEFC-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cnn(C)c1Cl)C1CC1 ZINC001266597305 836028433 /nfs/dbraw/zinc/02/84/33/836028433.db2.gz ZHSADYKTSAMIRK-UHFFFAOYSA-N 1 1 337.811 0.017 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cnn(C)c1Cl)C1CC1 ZINC001266597305 836028446 /nfs/dbraw/zinc/02/84/46/836028446.db2.gz ZHSADYKTSAMIRK-UHFFFAOYSA-N 1 1 337.811 0.017 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(C(F)F)n[nH]1)C1CC1 ZINC001266609391 836042619 /nfs/dbraw/zinc/04/26/19/836042619.db2.gz LWYSPTRGKHNWAZ-UHFFFAOYSA-N 1 1 339.346 0.291 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cc(C(F)F)n[nH]1)C1CC1 ZINC001266609391 836042627 /nfs/dbraw/zinc/04/26/27/836042627.db2.gz LWYSPTRGKHNWAZ-UHFFFAOYSA-N 1 1 339.346 0.291 20 30 ECEDMO Cc1c[nH]nc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC#N ZINC001266648242 836082793 /nfs/dbraw/zinc/08/27/93/836082793.db2.gz RBVUPUWWHFXNTG-YHWZYXNKSA-N 1 1 330.392 0.083 20 30 ECEDMO Cc1c[nH]nc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC#N ZINC001266648242 836082802 /nfs/dbraw/zinc/08/28/02/836082802.db2.gz RBVUPUWWHFXNTG-YHWZYXNKSA-N 1 1 330.392 0.083 20 30 ECEDMO C#CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC(=O)NCC ZINC001266647783 836082856 /nfs/dbraw/zinc/08/28/56/836082856.db2.gz BQERKMLLZVVMGT-GOOCMWNKSA-N 1 1 348.447 0.747 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNC(=O)OC)C1 ZINC001266655992 836090918 /nfs/dbraw/zinc/09/09/18/836090918.db2.gz LTIHXPMLMBCHFL-GJZGRUSLSA-N 1 1 339.436 0.858 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2nnn(C)n2)C1 ZINC001266660021 836097235 /nfs/dbraw/zinc/09/72/35/836097235.db2.gz UALGHZIMHXAVQS-UONOGXRCSA-N 1 1 334.424 0.339 20 30 ECEDMO CN(CC[NH2+]Cc1noc2c1COCC2)C(=O)c1c[nH]c(C#N)c1 ZINC001266680107 836132643 /nfs/dbraw/zinc/13/26/43/836132643.db2.gz CODSXLHYMKOWEF-UHFFFAOYSA-N 1 1 329.360 0.809 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccccn2)C1 ZINC001266737316 836219132 /nfs/dbraw/zinc/21/91/32/836219132.db2.gz QRDAMGVBIKGMHO-LSDHHAIUSA-N 1 1 328.416 0.661 20 30 ECEDMO C[C@@](O)(CC(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001266746798 836231916 /nfs/dbraw/zinc/23/19/16/836231916.db2.gz JJSHKHQIQQQNDZ-CXAGYDPISA-N 1 1 336.436 0.005 20 30 ECEDMO C[C@@](O)(CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001266746798 836231926 /nfs/dbraw/zinc/23/19/26/836231926.db2.gz JJSHKHQIQQQNDZ-CXAGYDPISA-N 1 1 336.436 0.005 20 30 ECEDMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C#CC(C)C)C1 ZINC001266749873 836238518 /nfs/dbraw/zinc/23/85/18/836238518.db2.gz NHRYTWCJSLJGNX-ZIAGYGMSSA-N 1 1 336.436 0.318 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001266752012 836244598 /nfs/dbraw/zinc/24/45/98/836244598.db2.gz MLAOWYYKPAJOBJ-AWEZNQCLSA-N 1 1 333.436 0.473 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001266754554 836249472 /nfs/dbraw/zinc/24/94/72/836249472.db2.gz DGFGVWVMIVAESZ-INIZCTEOSA-N 1 1 336.480 0.294 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001266755295 836250232 /nfs/dbraw/zinc/25/02/32/836250232.db2.gz OTDRBDRXYGNXQK-ZIAGYGMSSA-N 1 1 333.436 0.851 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001266755974 836252195 /nfs/dbraw/zinc/25/21/95/836252195.db2.gz XFPLKQYKANELQD-HNNXBMFYSA-N 1 1 331.416 0.477 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001266757956 836254959 /nfs/dbraw/zinc/25/49/59/836254959.db2.gz KJQSEHKMWAOEMB-CQSZACIVSA-N 1 1 345.509 0.966 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(COC)on2)C1 ZINC001266764368 836268969 /nfs/dbraw/zinc/26/89/69/836268969.db2.gz PUMVJSKUVSHECY-CYBMUJFWSA-N 1 1 348.403 0.012 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(COC)on2)C1 ZINC001266764368 836268981 /nfs/dbraw/zinc/26/89/81/836268981.db2.gz PUMVJSKUVSHECY-CYBMUJFWSA-N 1 1 348.403 0.012 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCC ZINC001266839537 836362025 /nfs/dbraw/zinc/36/20/25/836362025.db2.gz CYNCAVUPAUTQHF-PBHICJAKSA-N 1 1 325.453 0.810 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCC ZINC001266839537 836362035 /nfs/dbraw/zinc/36/20/35/836362035.db2.gz CYNCAVUPAUTQHF-PBHICJAKSA-N 1 1 325.453 0.810 20 30 ECEDMO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001266847922 836375704 /nfs/dbraw/zinc/37/57/04/836375704.db2.gz DMYIHPVOARDASH-UHFFFAOYSA-N 1 1 339.399 0.488 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)noc2C)C1 ZINC001266888874 836435426 /nfs/dbraw/zinc/43/54/26/836435426.db2.gz GXDWNJNWYTWNEG-IUODEOHRSA-N 1 1 346.431 0.871 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001266892186 836439716 /nfs/dbraw/zinc/43/97/16/836439716.db2.gz MHAGOJXLZPUOAE-GJZGRUSLSA-N 1 1 338.452 0.431 20 30 ECEDMO C[C@@H](NC(=O)COCC(F)F)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266892709 836441494 /nfs/dbraw/zinc/44/14/94/836441494.db2.gz XAVFPJKGORSACP-NEPJUHHUSA-N 1 1 346.378 0.125 20 30 ECEDMO C[C@@H](NC(=O)COCC(F)F)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266892709 836441500 /nfs/dbraw/zinc/44/15/00/836441500.db2.gz XAVFPJKGORSACP-NEPJUHHUSA-N 1 1 346.378 0.125 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266897895 836449251 /nfs/dbraw/zinc/44/92/51/836449251.db2.gz QCPOAUGKCMBAPB-CVEARBPZSA-N 1 1 346.475 0.048 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2ccnc2)C1 ZINC001266897727 836449480 /nfs/dbraw/zinc/44/94/80/836449480.db2.gz PQRIBNNMFSKUJG-CABCVRRESA-N 1 1 333.436 0.402 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCCCS(N)(=O)=O)C1 ZINC001266898287 836450185 /nfs/dbraw/zinc/45/01/85/836450185.db2.gz ULLOBHGCVJWSGQ-HUUCEWRRSA-N 1 1 343.493 0.685 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NCCCC)C[C@H]21 ZINC001266901133 836455100 /nfs/dbraw/zinc/45/51/00/836455100.db2.gz VOGKIZVNZHZTDT-LEOABGAYSA-N 1 1 335.448 0.376 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001266902973 836457085 /nfs/dbraw/zinc/45/70/85/836457085.db2.gz SOVYEBBAYQYGLX-YTGMWSOZSA-N 1 1 343.471 0.999 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001266902973 836457089 /nfs/dbraw/zinc/45/70/89/836457089.db2.gz SOVYEBBAYQYGLX-YTGMWSOZSA-N 1 1 343.471 0.999 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](C)CO1 ZINC001266903130 836458236 /nfs/dbraw/zinc/45/82/36/836458236.db2.gz SXNYIOGMXNGUFZ-QFXBJFAPSA-N 1 1 349.475 0.882 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)c2ccc(F)cn2)CC1 ZINC001279537084 836463774 /nfs/dbraw/zinc/46/37/74/836463774.db2.gz ZWTUKRPSOUBECR-UHFFFAOYSA-N 1 1 330.363 0.332 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)c2ccc(F)cn2)CC1 ZINC001279537084 836463781 /nfs/dbraw/zinc/46/37/81/836463781.db2.gz ZWTUKRPSOUBECR-UHFFFAOYSA-N 1 1 330.363 0.332 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001267010007 836609118 /nfs/dbraw/zinc/60/91/18/836609118.db2.gz FLYCPIVMIFOCHQ-HOTGVXAUSA-N 1 1 345.447 0.665 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)c2ccnn2CC)C1 ZINC001267104800 836780923 /nfs/dbraw/zinc/78/09/23/836780923.db2.gz FSXIRLHWSZRIDD-LSDHHAIUSA-N 1 1 345.447 0.577 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001267105285 836782724 /nfs/dbraw/zinc/78/27/24/836782724.db2.gz JGHOJQVYSBFVED-KBPBESRZSA-N 1 1 325.453 0.761 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]([N@H+](C)CC(=O)N(C)CC2CC2)C1 ZINC001267105678 836784061 /nfs/dbraw/zinc/78/40/61/836784061.db2.gz LHKVJENTUUCZQM-WBVHZDCISA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)N(C)CC2CC2)C1 ZINC001267105678 836784066 /nfs/dbraw/zinc/78/40/66/836784066.db2.gz LHKVJENTUUCZQM-WBVHZDCISA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)C(=O)NC2CC2)C1 ZINC001267105564 836785547 /nfs/dbraw/zinc/78/55/47/836785547.db2.gz KVPQTNXZZUNNAH-HOCLYGCPSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2nnc(C)o2)C1 ZINC001267106025 836786539 /nfs/dbraw/zinc/78/65/39/836786539.db2.gz NZIIEQCSEWAVRJ-JSGCOSHPSA-N 1 1 349.435 0.534 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)N[C@@H](C)c2nncn2C)CC1 ZINC001267154437 836861993 /nfs/dbraw/zinc/86/19/93/836861993.db2.gz DBMJIOXMDAVJAT-CABCVRRESA-N 1 1 346.479 0.706 20 30 ECEDMO C[C@H](C#N)C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001267163084 836879656 /nfs/dbraw/zinc/87/96/56/836879656.db2.gz LRQOMIIJEDAUOB-TZMCWYRMSA-N 1 1 349.435 0.495 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CN(C)S(C)(=O)=O ZINC001267167393 836890168 /nfs/dbraw/zinc/89/01/68/836890168.db2.gz FCVIYGPJSQIHHF-AWEZNQCLSA-N 1 1 329.466 0.262 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CCNC1=O ZINC001267169445 836896672 /nfs/dbraw/zinc/89/66/72/836896672.db2.gz PFMLAKBQXCVUJJ-HOTGVXAUSA-N 1 1 335.448 0.523 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cscn1 ZINC001267188045 836944959 /nfs/dbraw/zinc/94/49/59/836944959.db2.gz COZSYTQDTGGTDI-JTQLQIEISA-N 1 1 339.421 0.205 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cscn1 ZINC001267188045 836944967 /nfs/dbraw/zinc/94/49/67/836944967.db2.gz COZSYTQDTGGTDI-JTQLQIEISA-N 1 1 339.421 0.205 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001267207374 836992157 /nfs/dbraw/zinc/99/21/57/836992157.db2.gz GBNOITSOKFBSJD-NSHDSACASA-N 1 1 344.371 0.333 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001267207374 836992159 /nfs/dbraw/zinc/99/21/59/836992159.db2.gz GBNOITSOKFBSJD-NSHDSACASA-N 1 1 344.371 0.333 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001267213183 837002847 /nfs/dbraw/zinc/00/28/47/837002847.db2.gz CHKVCDMFICLJSY-KBPBESRZSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001267213183 837002857 /nfs/dbraw/zinc/00/28/57/837002857.db2.gz CHKVCDMFICLJSY-KBPBESRZSA-N 1 1 338.452 0.873 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccc2[nH]ccc21 ZINC001267219597 837009416 /nfs/dbraw/zinc/00/94/16/837009416.db2.gz UBMAINNPKNXYLN-ZDUSSCGKSA-N 1 1 326.400 0.967 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccc2[nH]ccc21 ZINC001267219597 837009428 /nfs/dbraw/zinc/00/94/28/837009428.db2.gz UBMAINNPKNXYLN-ZDUSSCGKSA-N 1 1 326.400 0.967 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccnnc1 ZINC001267218762 837009741 /nfs/dbraw/zinc/00/97/41/837009741.db2.gz DVMCBUDTSHQEFF-CQSZACIVSA-N 1 1 333.436 0.951 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccnnc1 ZINC001267218762 837009752 /nfs/dbraw/zinc/00/97/52/837009752.db2.gz DVMCBUDTSHQEFF-CQSZACIVSA-N 1 1 333.436 0.951 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H](OC)C(F)(F)F ZINC001267224432 837020430 /nfs/dbraw/zinc/02/04/30/837020430.db2.gz CPZNYCJMRAOXIC-MNOVXSKESA-N 1 1 337.342 0.140 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[C@H](OC)C(F)(F)F ZINC001267224432 837020437 /nfs/dbraw/zinc/02/04/37/837020437.db2.gz CPZNYCJMRAOXIC-MNOVXSKESA-N 1 1 337.342 0.140 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001267241559 837048819 /nfs/dbraw/zinc/04/88/19/837048819.db2.gz BQDZSCMPYRAXKV-QGZVFWFLSA-N 1 1 349.475 0.723 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC001267248792 837064387 /nfs/dbraw/zinc/06/43/87/837064387.db2.gz GRWCKQIRXMUTIJ-HIFRSBDPSA-N 1 1 347.463 0.816 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC001267248792 837064394 /nfs/dbraw/zinc/06/43/94/837064394.db2.gz GRWCKQIRXMUTIJ-HIFRSBDPSA-N 1 1 347.463 0.816 20 30 ECEDMO C=CCNC(=O)C[N@H+](CC)CCNC(=O)c1cccc2[nH]cnc21 ZINC001267252842 837072755 /nfs/dbraw/zinc/07/27/55/837072755.db2.gz BHRFHCXCIMRTBZ-UHFFFAOYSA-N 1 1 329.404 0.917 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cccc2[nH]cnc21 ZINC001267252842 837072761 /nfs/dbraw/zinc/07/27/61/837072761.db2.gz BHRFHCXCIMRTBZ-UHFFFAOYSA-N 1 1 329.404 0.917 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1ccc(C#C)cn1 ZINC001267256088 837079565 /nfs/dbraw/zinc/07/95/65/837079565.db2.gz XKYIYTISCJMZNG-AWEZNQCLSA-N 1 1 326.400 0.253 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1ccc(C#C)cn1 ZINC001267256088 837079575 /nfs/dbraw/zinc/07/95/75/837079575.db2.gz XKYIYTISCJMZNG-AWEZNQCLSA-N 1 1 326.400 0.253 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001267268939 837107496 /nfs/dbraw/zinc/10/74/96/837107496.db2.gz IIKRHIXOCCDWGR-HOTGVXAUSA-N 1 1 336.480 0.744 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cc1nc(CC)c[nH]1 ZINC001267270676 837110105 /nfs/dbraw/zinc/11/01/05/837110105.db2.gz VNYQLGUYHOOBEK-ZFWWWQNUSA-N 1 1 345.447 0.233 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1nc(CC)c[nH]1 ZINC001267270676 837110109 /nfs/dbraw/zinc/11/01/09/837110109.db2.gz VNYQLGUYHOOBEK-ZFWWWQNUSA-N 1 1 345.447 0.233 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001267270460 837111335 /nfs/dbraw/zinc/11/13/35/837111335.db2.gz JHJJOJANTIBCLA-LSDHHAIUSA-N 1 1 345.447 0.328 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001267270460 837111340 /nfs/dbraw/zinc/11/13/40/837111340.db2.gz JHJJOJANTIBCLA-LSDHHAIUSA-N 1 1 345.447 0.328 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccnc1C ZINC001267276736 837121131 /nfs/dbraw/zinc/12/11/31/837121131.db2.gz UOZDXNSMWIJBLC-MRXNPFEDSA-N 1 1 328.416 0.263 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccnc1C ZINC001267276736 837121137 /nfs/dbraw/zinc/12/11/37/837121137.db2.gz UOZDXNSMWIJBLC-MRXNPFEDSA-N 1 1 328.416 0.263 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001267279400 837125261 /nfs/dbraw/zinc/12/52/61/837125261.db2.gz DPTCKMFKKLZRHR-OAHLLOKOSA-N 1 1 333.436 0.960 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001267279400 837125266 /nfs/dbraw/zinc/12/52/66/837125266.db2.gz DPTCKMFKKLZRHR-OAHLLOKOSA-N 1 1 333.436 0.960 20 30 ECEDMO CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@H]1CCC[N@H+]1CC#CCOC ZINC001267281339 837128801 /nfs/dbraw/zinc/12/88/01/837128801.db2.gz GYJMXDRRNORXHF-UAGQMJEPSA-N 1 1 337.464 0.768 20 30 ECEDMO CCn1nc(C)c(C[N@@H+]2CC[C@@H](CNC(=O)CSCC#N)C2)n1 ZINC001267288937 837140065 /nfs/dbraw/zinc/14/00/65/837140065.db2.gz OSGKJVSHJSYVIC-ZDUSSCGKSA-N 1 1 336.465 0.801 20 30 ECEDMO CCn1nc(C)c(C[N@H+]2CC[C@@H](CNC(=O)CSCC#N)C2)n1 ZINC001267288937 837140070 /nfs/dbraw/zinc/14/00/70/837140070.db2.gz OSGKJVSHJSYVIC-ZDUSSCGKSA-N 1 1 336.465 0.801 20 30 ECEDMO C#CCCCCC(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267292657 837148186 /nfs/dbraw/zinc/14/81/86/837148186.db2.gz YSOKJUAUOCDYPT-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001267293412 837148196 /nfs/dbraw/zinc/14/81/96/837148196.db2.gz RYHGDGYGYVUSJF-JKSUJKDBSA-N 1 1 349.475 0.627 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(C)C ZINC001267295612 837149592 /nfs/dbraw/zinc/14/95/92/837149592.db2.gz WRJBOAGRGSNGNA-XYJFISCASA-N 1 1 349.475 0.768 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267296995 837156254 /nfs/dbraw/zinc/15/62/54/837156254.db2.gz YYWKYLPDOLMUAT-JKSUJKDBSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267296995 837156257 /nfs/dbraw/zinc/15/62/57/837156257.db2.gz YYWKYLPDOLMUAT-JKSUJKDBSA-N 1 1 336.480 0.601 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+](CCOCCOC)C2)c1 ZINC001267302249 837166561 /nfs/dbraw/zinc/16/65/61/837166561.db2.gz NYAIGIDPWBJREX-MRXNPFEDSA-N 1 1 331.416 0.778 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(OCC)c2)C1 ZINC001267302720 837167695 /nfs/dbraw/zinc/16/76/95/837167695.db2.gz HCDMSBPAKPERSF-HNNXBMFYSA-N 1 1 343.427 0.886 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001267302582 837168268 /nfs/dbraw/zinc/16/82/68/837168268.db2.gz GGQYRZMCJWNSJM-HYVNUMGLSA-N 1 1 330.432 0.612 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccncc2Cl)C1 ZINC001267303639 837169430 /nfs/dbraw/zinc/16/94/30/837169430.db2.gz PZDYEUGOBGFJSZ-LBPRGKRZSA-N 1 1 334.807 0.536 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(COC)on2)C1 ZINC001267303838 837171244 /nfs/dbraw/zinc/17/12/44/837171244.db2.gz SCDKTUVSCUOMPC-LBPRGKRZSA-N 1 1 336.392 0.175 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)CCOC)C1 ZINC001267303851 837171437 /nfs/dbraw/zinc/17/14/37/837171437.db2.gz CAGYZJHXHMGFJI-HUUCEWRRSA-N 1 1 337.464 0.625 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267306905 837179822 /nfs/dbraw/zinc/17/98/22/837179822.db2.gz YOEZKCUTFVCFSS-OAHLLOKOSA-N 1 1 338.411 0.288 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267306905 837179828 /nfs/dbraw/zinc/17/98/28/837179828.db2.gz YOEZKCUTFVCFSS-OAHLLOKOSA-N 1 1 338.411 0.288 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001267311989 837186522 /nfs/dbraw/zinc/18/65/22/837186522.db2.gz LYQDZTSERUKTCH-CYBMUJFWSA-N 1 1 331.376 0.133 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCC)CCNC(=O)c2cnsn2)C1=O ZINC001267311473 837186601 /nfs/dbraw/zinc/18/66/01/837186601.db2.gz SCGVGXQYXBJIOS-ZDUSSCGKSA-N 1 1 337.449 0.767 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C[C@@H]1CCNC(=O)CC1)C1CC1 ZINC001267325244 837201969 /nfs/dbraw/zinc/20/19/69/837201969.db2.gz DSUVTRAXXALTDK-KSSFIOAISA-N 1 1 337.464 0.810 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cn(C)c(=O)[nH]1)C1CC1 ZINC001267332443 837213567 /nfs/dbraw/zinc/21/35/67/837213567.db2.gz MCNYWHJPMVIHCL-NSHDSACASA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cn(C)c(=O)[nH]1)C1CC1 ZINC001267332443 837213578 /nfs/dbraw/zinc/21/35/78/837213578.db2.gz MCNYWHJPMVIHCL-NSHDSACASA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCNC(=O)[C@@H]2CCO[C@H]2C=C)C2CC2)C1=O ZINC001267332435 837214037 /nfs/dbraw/zinc/21/40/37/837214037.db2.gz DEDITRPNFOTCRX-ZACQAIPSSA-N 1 1 347.459 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCNC(=O)[C@@H]2CCO[C@H]2C=C)C2CC2)C1=O ZINC001267332435 837214047 /nfs/dbraw/zinc/21/40/47/837214047.db2.gz DEDITRPNFOTCRX-ZACQAIPSSA-N 1 1 347.459 0.945 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1ncn(C(C)(C)C)n1)C1CC1 ZINC001267333087 837215162 /nfs/dbraw/zinc/21/51/62/837215162.db2.gz RBFHWZFTNIHMID-UHFFFAOYSA-N 1 1 348.451 0.530 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1ncn(C(C)(C)C)n1)C1CC1 ZINC001267333087 837215168 /nfs/dbraw/zinc/21/51/68/837215168.db2.gz RBFHWZFTNIHMID-UHFFFAOYSA-N 1 1 348.451 0.530 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1nc(C)c[nH]1)c1ccccc1 ZINC001267377783 837294729 /nfs/dbraw/zinc/29/47/29/837294729.db2.gz RYOCRTRDVWKPQN-HNNXBMFYSA-N 1 1 339.399 0.528 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001267417833 837382985 /nfs/dbraw/zinc/38/29/85/837382985.db2.gz OGKYBZGZASNQBV-FSZRXZPDSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001267580612 837842916 /nfs/dbraw/zinc/84/29/16/837842916.db2.gz ZPNHTHLJOYVGST-ZIAGYGMSSA-N 1 1 343.431 0.971 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](C[N@@H+](C)CCN2C(=O)CCC2=O)C1 ZINC001267581953 837847353 /nfs/dbraw/zinc/84/73/53/837847353.db2.gz UQUAMPUKNIGXHM-HNNXBMFYSA-N 1 1 333.432 0.719 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc(OC)o2)C1 ZINC001267582744 837848300 /nfs/dbraw/zinc/84/83/00/837848300.db2.gz GVTSQLSDKXZAFK-ZDUSSCGKSA-N 1 1 333.388 0.479 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2cscn2)C1 ZINC001267583810 837854394 /nfs/dbraw/zinc/85/43/94/837854394.db2.gz SGUMZCKWJOFLRR-ZIAGYGMSSA-N 1 1 348.472 0.652 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001267585071 837859863 /nfs/dbraw/zinc/85/98/63/837859863.db2.gz NUVVVOASUWYSCW-AWEZNQCLSA-N 1 1 334.420 0.377 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(OC)nc2)C1 ZINC001267586211 837862821 /nfs/dbraw/zinc/86/28/21/837862821.db2.gz MEDWNEGNVCSXPY-AWEZNQCLSA-N 1 1 344.415 0.234 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@H](OC)C2CC2)CC1 ZINC001267598378 837906296 /nfs/dbraw/zinc/90/62/96/837906296.db2.gz BTTJQUQZUODOHR-RHSMWYFYSA-N 1 1 349.475 0.720 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001267598827 837909177 /nfs/dbraw/zinc/90/91/77/837909177.db2.gz SGGFFIQWXRYDSI-UHFFFAOYSA-N 1 1 345.403 0.211 20 30 ECEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001267599320 837911583 /nfs/dbraw/zinc/91/15/83/837911583.db2.gz LAQHSDBMKNMURX-INIZCTEOSA-N 1 1 337.464 0.838 20 30 ECEDMO CC#CC[N@@H+](C)CC1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001267601091 837920236 /nfs/dbraw/zinc/92/02/36/837920236.db2.gz JKUQTHQQFHZUOP-UHFFFAOYSA-N 1 1 332.404 0.143 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(C[N@H+](C)[C@@H](C)C(=O)NC)CC2)c1 ZINC001267603157 837929750 /nfs/dbraw/zinc/92/97/50/837929750.db2.gz MSVZHJLVPGXKSB-AWEZNQCLSA-N 1 1 342.443 0.981 20 30 ECEDMO COCCOC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001267614420 837989401 /nfs/dbraw/zinc/98/94/01/837989401.db2.gz JOLXWWBJZLGTDZ-CVEARBPZSA-N 1 1 326.437 0.250 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001267615063 837992689 /nfs/dbraw/zinc/99/26/89/837992689.db2.gz GCGUKQUQOHIRMR-DOTOQJQBSA-N 1 1 342.443 0.812 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001267615063 837992693 /nfs/dbraw/zinc/99/26/93/837992693.db2.gz GCGUKQUQOHIRMR-DOTOQJQBSA-N 1 1 342.443 0.812 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CCn2nc(C)nc2C)C1 ZINC001267625737 838073758 /nfs/dbraw/zinc/07/37/58/838073758.db2.gz DAFUENJFWBLNCY-BBRMVZONSA-N 1 1 333.436 0.514 20 30 ECEDMO C=CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267628999 838083533 /nfs/dbraw/zinc/08/35/33/838083533.db2.gz IFFAXHFAZDYTMM-JYJNAYRXSA-N 1 1 336.480 0.742 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC001267634543 838103573 /nfs/dbraw/zinc/10/35/73/838103573.db2.gz DJUOYPYDMWDDKS-WBVHZDCISA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC001267634543 838103575 /nfs/dbraw/zinc/10/35/75/838103575.db2.gz DJUOYPYDMWDDKS-WBVHZDCISA-N 1 1 342.443 0.651 20 30 ECEDMO CCO[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1)C1CC1 ZINC001267653330 838157013 /nfs/dbraw/zinc/15/70/13/838157013.db2.gz PQBWEBVYVVYNEB-BBRMVZONSA-N 1 1 336.436 0.222 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001267656301 838166853 /nfs/dbraw/zinc/16/68/53/838166853.db2.gz IYOIUVIGIXUPAH-CABCVRRESA-N 1 1 334.464 0.047 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](OC)C2CCC2)C1 ZINC001267670543 838204277 /nfs/dbraw/zinc/20/42/77/838204277.db2.gz OBURDUMPXHQIMY-RHSMWYFYSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C)Cn2ccc(C)n2)C1 ZINC001267682609 838243335 /nfs/dbraw/zinc/24/33/35/838243335.db2.gz CEOZINXNBIBNSW-ZFWWWQNUSA-N 1 1 347.463 0.566 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001267684994 838247874 /nfs/dbraw/zinc/24/78/74/838247874.db2.gz WEPFISVPMMQQKJ-GJZGRUSLSA-N 1 1 329.448 0.724 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001267686463 838249456 /nfs/dbraw/zinc/24/94/56/838249456.db2.gz PJFHSSLZQRVJBM-UHFFFAOYSA-N 1 1 347.463 0.664 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)CCn2cccc2)C1 ZINC001267698049 838288454 /nfs/dbraw/zinc/28/84/54/838288454.db2.gz ZKAGHEOIZWZSST-OAHLLOKOSA-N 1 1 331.420 0.298 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCCCOC)C1=O ZINC001267703955 838306811 /nfs/dbraw/zinc/30/68/11/838306811.db2.gz ACXUMFIYUUTZEN-HRCADAONSA-N 1 1 335.448 0.875 20 30 ECEDMO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267727905 838409669 /nfs/dbraw/zinc/40/96/69/838409669.db2.gz QIWGJWJIJBPAOR-HNNXBMFYSA-N 1 1 333.432 0.910 20 30 ECEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001267730586 838417244 /nfs/dbraw/zinc/41/72/44/838417244.db2.gz RXNQNTXXCUYHDU-KBPBESRZSA-N 1 1 337.420 0.043 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001267744103 838447515 /nfs/dbraw/zinc/44/75/15/838447515.db2.gz DSQSJHJNCQZOIO-CYBMUJFWSA-N 1 1 343.383 0.585 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001267744103 838447521 /nfs/dbraw/zinc/44/75/21/838447521.db2.gz DSQSJHJNCQZOIO-CYBMUJFWSA-N 1 1 343.383 0.585 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)COc2cccc(OC)c2)C1 ZINC001267748834 838462392 /nfs/dbraw/zinc/46/23/92/838462392.db2.gz CNZIOFDMBKOWBP-OAHLLOKOSA-N 1 1 332.400 0.914 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)COc2cccc(OC)c2)C1 ZINC001267748834 838462399 /nfs/dbraw/zinc/46/23/99/838462399.db2.gz CNZIOFDMBKOWBP-OAHLLOKOSA-N 1 1 332.400 0.914 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCOCC2)C1 ZINC001267750745 838472172 /nfs/dbraw/zinc/47/21/72/838472172.db2.gz FHCHOBZJKPMFHI-HUUCEWRRSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(CC)CCOCC2)C1 ZINC001267750745 838472175 /nfs/dbraw/zinc/47/21/75/838472175.db2.gz FHCHOBZJKPMFHI-HUUCEWRRSA-N 1 1 335.448 0.522 20 30 ECEDMO CN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001267761171 838487657 /nfs/dbraw/zinc/48/76/57/838487657.db2.gz CFBXVYCZKVCVPB-CVEARBPZSA-N 1 1 349.475 0.552 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001267760618 838487766 /nfs/dbraw/zinc/48/77/66/838487766.db2.gz VWENMSHOIYJKCI-MRXNPFEDSA-N 1 1 345.447 0.686 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001267760618 838487770 /nfs/dbraw/zinc/48/77/70/838487770.db2.gz VWENMSHOIYJKCI-MRXNPFEDSA-N 1 1 345.447 0.686 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C)C1 ZINC001267777089 838541862 /nfs/dbraw/zinc/54/18/62/838541862.db2.gz PLHROIFBDRREMJ-OLZOCXBDSA-N 1 1 338.452 0.966 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C)C1 ZINC001267777089 838541870 /nfs/dbraw/zinc/54/18/70/838541870.db2.gz PLHROIFBDRREMJ-OLZOCXBDSA-N 1 1 338.452 0.966 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2cccnc2)C1 ZINC001267777683 838545068 /nfs/dbraw/zinc/54/50/68/838545068.db2.gz SNWQJIIJALQXNN-GDBMZVCRSA-N 1 1 328.416 0.467 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2cccnc2)C1 ZINC001267777683 838545072 /nfs/dbraw/zinc/54/50/72/838545072.db2.gz SNWQJIIJALQXNN-GDBMZVCRSA-N 1 1 328.416 0.467 20 30 ECEDMO CCOCCO[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267779728 838550936 /nfs/dbraw/zinc/55/09/36/838550936.db2.gz UQFWNRZBSHCAHA-HZPDHXFCSA-N 1 1 326.437 0.611 20 30 ECEDMO CCOCCO[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267779728 838550938 /nfs/dbraw/zinc/55/09/38/838550938.db2.gz UQFWNRZBSHCAHA-HZPDHXFCSA-N 1 1 326.437 0.611 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2cc(C)on2)C1 ZINC001267783802 838557348 /nfs/dbraw/zinc/55/73/48/838557348.db2.gz DYHRPWUJXYGKLW-OAHLLOKOSA-N 1 1 334.420 0.751 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2cc(C)on2)C1 ZINC001267783802 838557349 /nfs/dbraw/zinc/55/73/49/838557349.db2.gz DYHRPWUJXYGKLW-OAHLLOKOSA-N 1 1 334.420 0.751 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001267795481 838575302 /nfs/dbraw/zinc/57/53/02/838575302.db2.gz YCFGQBWTDCHRSJ-RWCUPDDMSA-N 1 1 343.471 0.951 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001267795481 838575311 /nfs/dbraw/zinc/57/53/11/838575311.db2.gz YCFGQBWTDCHRSJ-RWCUPDDMSA-N 1 1 343.471 0.951 20 30 ECEDMO COCC#CC[NH2+]CCC1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001267915348 838785716 /nfs/dbraw/zinc/78/57/16/838785716.db2.gz FYHLYFAJBPWVBR-UHFFFAOYSA-N 1 1 333.436 0.605 20 30 ECEDMO COCC#CC[NH2+]CCC1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001267915348 838785725 /nfs/dbraw/zinc/78/57/25/838785725.db2.gz FYHLYFAJBPWVBR-UHFFFAOYSA-N 1 1 333.436 0.605 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001267919492 838792092 /nfs/dbraw/zinc/79/20/92/838792092.db2.gz HCBDNFPOTNEHEQ-CHWSQXEVSA-N 1 1 330.388 0.119 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001267919492 838792098 /nfs/dbraw/zinc/79/20/98/838792098.db2.gz HCBDNFPOTNEHEQ-CHWSQXEVSA-N 1 1 330.388 0.119 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001267958199 838864324 /nfs/dbraw/zinc/86/43/24/838864324.db2.gz VOYIRUJVNZQLOL-HUUCEWRRSA-N 1 1 335.452 0.081 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1cncc(C#N)n1)C(C)C ZINC001105301068 838878652 /nfs/dbraw/zinc/87/86/52/838878652.db2.gz LJQCAMLRNNPNSO-HOTGVXAUSA-N 1 1 340.431 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1cncc(C#N)n1)C(C)C ZINC001105301068 838878667 /nfs/dbraw/zinc/87/86/67/838878667.db2.gz LJQCAMLRNNPNSO-HOTGVXAUSA-N 1 1 340.431 0.999 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCO1)CC2 ZINC001268042842 839188284 /nfs/dbraw/zinc/18/82/84/839188284.db2.gz WWLPKMUBRMVTPD-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1ccn(C)c1C)CC2 ZINC001268045935 839211020 /nfs/dbraw/zinc/21/10/20/839211020.db2.gz NMVVAVAQJHJHOR-UHFFFAOYSA-N 1 1 342.443 0.621 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1nccc(C)n1 ZINC001268067997 839258697 /nfs/dbraw/zinc/25/86/97/839258697.db2.gz IBDUYOHOBZVUTA-HOTGVXAUSA-N 1 1 329.448 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1nccc(C)n1 ZINC001268067997 839258706 /nfs/dbraw/zinc/25/87/06/839258706.db2.gz IBDUYOHOBZVUTA-HOTGVXAUSA-N 1 1 329.448 0.819 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000981001474 839308419 /nfs/dbraw/zinc/30/84/19/839308419.db2.gz KTOXARAZUGWOJF-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000981001474 839308431 /nfs/dbraw/zinc/30/84/31/839308431.db2.gz KTOXARAZUGWOJF-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186786771 236018950 /nfs/dbraw/zinc/01/89/50/236018950.db2.gz JROPXGPHBKKGQQ-GFCCVEGCSA-N 1 1 346.431 0.321 20 30 ECEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCS(C)(=O)=O ZINC000078675765 217100451 /nfs/dbraw/zinc/10/04/51/217100451.db2.gz PGARMJTWRFWRAB-UHFFFAOYSA-N 1 1 337.445 0.883 20 30 ECEDMO N#Cc1ccccc1N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000111686370 220180184 /nfs/dbraw/zinc/18/01/84/220180184.db2.gz ADPHRIYNINLWPM-INIZCTEOSA-N 1 1 328.416 0.664 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC001041673408 781964280 /nfs/dbraw/zinc/96/42/80/781964280.db2.gz XAQWMMAHFKUXAJ-HDMKZQKVSA-N 1 1 335.448 0.733 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000265261735 247349429 /nfs/dbraw/zinc/34/94/29/247349429.db2.gz LABVREBHDIDFEV-UHFFFAOYSA-N 1 1 337.445 0.944 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041675703 781968505 /nfs/dbraw/zinc/96/85/05/781968505.db2.gz RDJNFAZLIJCSEN-DAYGRLMNSA-N 1 1 335.448 0.910 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000408029257 285047413 /nfs/dbraw/zinc/04/74/13/285047413.db2.gz SPOULEPUWAUJKW-MCIONIFRSA-N 1 1 330.454 0.118 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000336916413 285050944 /nfs/dbraw/zinc/05/09/44/285050944.db2.gz NGJMVFBRNJLWFO-HUUCEWRRSA-N 1 1 346.497 0.659 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000336916413 285050949 /nfs/dbraw/zinc/05/09/49/285050949.db2.gz NGJMVFBRNJLWFO-HUUCEWRRSA-N 1 1 346.497 0.659 20 30 ECEDMO COC(=O)[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000411905387 208160546 /nfs/dbraw/zinc/16/05/46/208160546.db2.gz BIZGCICJMMSFNZ-AWEZNQCLSA-N 1 1 330.388 0.533 20 30 ECEDMO COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000411925729 208170028 /nfs/dbraw/zinc/17/00/28/208170028.db2.gz ZOVNFKBGSDSPIH-ZFWWWQNUSA-N 1 1 344.415 0.922 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[N@H+](C)C1 ZINC000413914376 208376587 /nfs/dbraw/zinc/37/65/87/208376587.db2.gz GOIZHWAJFXSBOL-ZFWWWQNUSA-N 1 1 345.399 0.889 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000413914376 208376599 /nfs/dbraw/zinc/37/65/99/208376599.db2.gz GOIZHWAJFXSBOL-ZFWWWQNUSA-N 1 1 345.399 0.889 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[N@H+](C)C1 ZINC000413914590 208376922 /nfs/dbraw/zinc/37/69/22/208376922.db2.gz GSJRFLLFHRADGO-ZFWWWQNUSA-N 1 1 345.399 0.889 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000413914590 208376927 /nfs/dbraw/zinc/37/69/27/208376927.db2.gz GSJRFLLFHRADGO-ZFWWWQNUSA-N 1 1 345.399 0.889 20 30 ECEDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000330634135 254640353 /nfs/dbraw/zinc/64/03/53/254640353.db2.gz BFIFTAJIIUYKBF-CABCVRRESA-N 1 1 336.436 0.174 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000346065614 254696820 /nfs/dbraw/zinc/69/68/20/254696820.db2.gz NBQDLNGSQGJYPH-UHFFFAOYSA-N 1 1 338.452 0.080 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000346744196 254698174 /nfs/dbraw/zinc/69/81/74/254698174.db2.gz YSTSLHWLPISITR-LRDDRELGSA-N 1 1 332.408 0.044 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000356533293 254722120 /nfs/dbraw/zinc/72/21/20/254722120.db2.gz ZIFHREZKFZPIPU-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000281963273 264000565 /nfs/dbraw/zinc/00/05/65/264000565.db2.gz GHYUGJMTXHAAKX-HUUCEWRRSA-N 1 1 330.432 0.561 20 30 ECEDMO N#Cc1cc(F)ccc1CS(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000295135243 265045612 /nfs/dbraw/zinc/04/56/12/265045612.db2.gz LMJITFQLZGAVEU-UHFFFAOYSA-N 1 1 341.408 0.839 20 30 ECEDMO N#Cc1cc(F)ccc1CS(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000295135243 265045613 /nfs/dbraw/zinc/04/56/13/265045613.db2.gz LMJITFQLZGAVEU-UHFFFAOYSA-N 1 1 341.408 0.839 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000345952257 266127230 /nfs/dbraw/zinc/12/72/30/266127230.db2.gz QVACAXAXHNYJCJ-UHFFFAOYSA-N 1 1 342.377 0.059 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369609984 266132734 /nfs/dbraw/zinc/13/27/34/266132734.db2.gz VMNUGFSSLMXXAB-CYBMUJFWSA-N 1 1 329.408 0.795 20 30 ECEDMO CC[N@H+]1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000334133924 266155803 /nfs/dbraw/zinc/15/58/03/266155803.db2.gz WUCOXTZZLVOLNX-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340969400 267199253 /nfs/dbraw/zinc/19/92/53/267199253.db2.gz RRLCEBYYQVNPHZ-XJKSGUPXSA-N 1 1 344.415 0.782 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000372607190 268067272 /nfs/dbraw/zinc/06/72/72/268067272.db2.gz UAWUQLYNVTWMII-INIZCTEOSA-N 1 1 341.415 0.664 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000372607190 268067274 /nfs/dbraw/zinc/06/72/74/268067274.db2.gz UAWUQLYNVTWMII-INIZCTEOSA-N 1 1 341.415 0.664 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000359515189 268177441 /nfs/dbraw/zinc/17/74/41/268177441.db2.gz MESLFERGQZDMKP-ZFWWWQNUSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000359515189 268177442 /nfs/dbraw/zinc/17/74/42/268177442.db2.gz MESLFERGQZDMKP-ZFWWWQNUSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000528474257 268303073 /nfs/dbraw/zinc/30/30/73/268303073.db2.gz OWEKDMWDDRWGRA-QSJFSLAZSA-N 1 1 329.400 0.884 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H](C)O)CC1 ZINC000305783111 276010804 /nfs/dbraw/zinc/01/08/04/276010804.db2.gz VWNCBOKFBQERNH-BBWFWOEESA-N 1 1 336.480 0.914 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC001041720153 782050899 /nfs/dbraw/zinc/05/08/99/782050899.db2.gz LMYPMQYGJGKMKO-GOSISDBHSA-N 1 1 346.431 0.198 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCNC(=O)N(C)C ZINC000330687970 278139478 /nfs/dbraw/zinc/13/94/78/278139478.db2.gz CPPSGODYFASFAY-NEPJUHHUSA-N 1 1 327.429 0.556 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CCNC(=O)N(C)C ZINC000330687970 278139480 /nfs/dbraw/zinc/13/94/80/278139480.db2.gz CPPSGODYFASFAY-NEPJUHHUSA-N 1 1 327.429 0.556 20 30 ECEDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC(=O)N(C)C2)C[C@@H](C)O1 ZINC000330141059 288187778 /nfs/dbraw/zinc/18/77/78/288187778.db2.gz PVYFVPHFVFBULD-TUVASFSCSA-N 1 1 338.452 0.705 20 30 ECEDMO C[C@H](C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)n1cnc(C#N)n1 ZINC000343579154 437607138 /nfs/dbraw/zinc/60/71/38/437607138.db2.gz UWMRKXLGZLFORO-HZSPNIEDSA-N 1 1 334.424 0.716 20 30 ECEDMO CC[C@@]1(CO)CCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000189645552 437608956 /nfs/dbraw/zinc/60/89/56/437608956.db2.gz LIIBBJPDVBDDFV-WMZOPIPTSA-N 1 1 336.480 0.916 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@]2(C)CCCOC2)CC1 ZINC000329108522 288956509 /nfs/dbraw/zinc/95/65/09/288956509.db2.gz FJUFNMVESAUGEZ-INIZCTEOSA-N 1 1 326.441 0.612 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001077977962 782059663 /nfs/dbraw/zinc/05/96/63/782059663.db2.gz XXWOMJNWJDBFPM-RRFJBIMHSA-N 1 1 347.415 0.458 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@@H](n2ccnn2)C1 ZINC001069970704 790260567 /nfs/dbraw/zinc/26/05/67/790260567.db2.gz VSCVJYOWROJRSB-CVEARBPZSA-N 1 1 341.419 0.998 20 30 ECEDMO C[C@H](CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)[N@@H+](C)C1CC1 ZINC000329120231 298245504 /nfs/dbraw/zinc/24/55/04/298245504.db2.gz PQJNCAMUSQUGPB-NEPJUHHUSA-N 1 1 332.470 0.397 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000072830958 436057852 /nfs/dbraw/zinc/05/78/52/436057852.db2.gz INACBFQDEKYJTN-GOSISDBHSA-N 1 1 341.459 0.643 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000029932822 436213177 /nfs/dbraw/zinc/21/31/77/436213177.db2.gz TWVAIFFBWWMPEG-GFCCVEGCSA-N 1 1 332.404 0.878 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000029932822 436213179 /nfs/dbraw/zinc/21/31/79/436213179.db2.gz TWVAIFFBWWMPEG-GFCCVEGCSA-N 1 1 332.404 0.878 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCCN(c3nccs3)CC2)CC1 ZINC000081668340 436354021 /nfs/dbraw/zinc/35/40/21/436354021.db2.gz KUWAUDAFJRJSKN-UHFFFAOYSA-N 1 1 347.488 0.433 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCCN(c3nccs3)CC2)CC1 ZINC000081668340 436354023 /nfs/dbraw/zinc/35/40/23/436354023.db2.gz KUWAUDAFJRJSKN-UHFFFAOYSA-N 1 1 347.488 0.433 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(C#N)cs2)CC1 ZINC000084077912 436377934 /nfs/dbraw/zinc/37/79/34/436377934.db2.gz KZPYHLSVXSZDFR-ZDUSSCGKSA-N 1 1 332.429 0.998 20 30 ECEDMO C#CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000091212132 436444857 /nfs/dbraw/zinc/44/48/57/436444857.db2.gz QMHBLYOBKUAWPH-GJZGRUSLSA-N 1 1 343.493 0.795 20 30 ECEDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091540736 436452753 /nfs/dbraw/zinc/45/27/53/436452753.db2.gz BFIFTAJIIUYKBF-GJZGRUSLSA-N 1 1 336.436 0.174 20 30 ECEDMO CCS(=O)(=O)NCCC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943047 436421204 /nfs/dbraw/zinc/42/12/04/436421204.db2.gz LTISKZIJAAIBBX-UHFFFAOYSA-N 1 1 328.442 0.057 20 30 ECEDMO CN(C(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1nccs1 ZINC000089943610 436421737 /nfs/dbraw/zinc/42/17/37/436421737.db2.gz VJJVOIZQZFCEBB-UHFFFAOYSA-N 1 1 333.421 0.847 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052694058 436514567 /nfs/dbraw/zinc/51/45/67/436514567.db2.gz CMJLLJWEKYGJET-CHWSQXEVSA-N 1 1 330.454 0.008 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052694058 436514569 /nfs/dbraw/zinc/51/45/69/436514569.db2.gz CMJLLJWEKYGJET-CHWSQXEVSA-N 1 1 330.454 0.008 20 30 ECEDMO CCOCC[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000093314092 436486461 /nfs/dbraw/zinc/48/64/61/436486461.db2.gz YHSDKPBJICGOGO-UHFFFAOYSA-N 1 1 335.408 0.472 20 30 ECEDMO CCOCC[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000093314092 436486465 /nfs/dbraw/zinc/48/64/65/436486465.db2.gz YHSDKPBJICGOGO-UHFFFAOYSA-N 1 1 335.408 0.472 20 30 ECEDMO Cn1c(NCC[N@@H+](C)Cc2ccccc2)c(C#N)c(=O)n(C)c1=O ZINC000053582818 436535906 /nfs/dbraw/zinc/53/59/06/436535906.db2.gz ULTAMDWFAWGDIO-UHFFFAOYSA-N 1 1 327.388 0.500 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994292 436563561 /nfs/dbraw/zinc/56/35/61/436563561.db2.gz DLTXPLANIOWCSQ-INIZCTEOSA-N 1 1 337.464 0.982 20 30 ECEDMO Cc1cccc(C[NH+]2CCN(C(=O)CN3CCO[C@H](C#N)C3)CC2)c1 ZINC000106309797 436591945 /nfs/dbraw/zinc/59/19/45/436591945.db2.gz BLRDIYYMUXHCPC-GOSISDBHSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000108332172 436616860 /nfs/dbraw/zinc/61/68/60/436616860.db2.gz YPGCGGYSPBOHMP-CQSZACIVSA-N 1 1 349.456 0.670 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000058923816 436629808 /nfs/dbraw/zinc/62/98/08/436629808.db2.gz IZEGXYLELGSVOP-AWEZNQCLSA-N 1 1 343.493 0.931 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCc2c(C)nc3ncnn3c2C)CC1 ZINC000064442621 436649021 /nfs/dbraw/zinc/64/90/21/436649021.db2.gz OVBJTFIFEZBQPY-UHFFFAOYSA-N 1 1 340.431 0.841 20 30 ECEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000271884441 436697142 /nfs/dbraw/zinc/69/71/42/436697142.db2.gz AACKBOBSJILWIE-LLVKDONJSA-N 1 1 334.342 0.404 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000066891412 436698949 /nfs/dbraw/zinc/69/89/49/436698949.db2.gz PDDGLMQRQKRXNL-UHFFFAOYSA-N 1 1 348.403 0.794 20 30 ECEDMO C[N@H+](CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CC1 ZINC000066924008 436701246 /nfs/dbraw/zinc/70/12/46/436701246.db2.gz DCFBDFAQQRXWLN-UHFFFAOYSA-N 1 1 335.429 0.683 20 30 ECEDMO C[N@@H+](CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CC1 ZINC000066924008 436701248 /nfs/dbraw/zinc/70/12/48/436701248.db2.gz DCFBDFAQQRXWLN-UHFFFAOYSA-N 1 1 335.429 0.683 20 30 ECEDMO C[NH+]1CCN(C(=O)CN2CCN(c3ccccc3C#N)CC2)CC1 ZINC000120925274 436703253 /nfs/dbraw/zinc/70/32/53/436703253.db2.gz WRPRAMJWUMHFRD-UHFFFAOYSA-N 1 1 327.432 0.454 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCCNC(=O)c2cccnc2)CC1 ZINC000121015843 436705327 /nfs/dbraw/zinc/70/53/27/436705327.db2.gz VCKYJOYHAXTPIZ-UHFFFAOYSA-N 1 1 328.416 0.759 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119682186 436669116 /nfs/dbraw/zinc/66/91/16/436669116.db2.gz MBSLUIJASHTZJQ-XNHLSEOASA-N 1 1 347.507 0.990 20 30 ECEDMO C[C@H](CNC(=O)COc1ccccc1C#N)CN1CC[NH+](C)CC1 ZINC000121765856 436724752 /nfs/dbraw/zinc/72/47/52/436724752.db2.gz YTQUEQPDLWOVCE-OAHLLOKOSA-N 1 1 330.432 0.937 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(CCC#N)CCC#N)C1 ZINC000122010782 436729352 /nfs/dbraw/zinc/72/93/52/436729352.db2.gz MSJYPJHWELKCDJ-INIZCTEOSA-N 1 1 335.452 0.589 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153263459 436752770 /nfs/dbraw/zinc/75/27/70/436752770.db2.gz ICBDIEDNWQHRMX-INIZCTEOSA-N 1 1 331.424 0.782 20 30 ECEDMO CNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000155914459 436805954 /nfs/dbraw/zinc/80/59/54/436805954.db2.gz LFZFRMDRBNKSBA-LLVKDONJSA-N 1 1 342.446 0.572 20 30 ECEDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000155914459 436805957 /nfs/dbraw/zinc/80/59/57/436805957.db2.gz LFZFRMDRBNKSBA-LLVKDONJSA-N 1 1 342.446 0.572 20 30 ECEDMO CCOC(=O)CO/N=C(/C(=O)NCC[N@@H+]1CC=CCC1)c1cc[nH]n1 ZINC000279769389 436839230 /nfs/dbraw/zinc/83/92/30/436839230.db2.gz BIWHINNDMZZBBW-HMMYKYKNSA-N 1 1 349.391 0.072 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293022732 436844383 /nfs/dbraw/zinc/84/43/83/436844383.db2.gz QVOAGZXRFSSKJN-HIFRSBDPSA-N 1 1 334.424 0.415 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293022732 436844388 /nfs/dbraw/zinc/84/43/88/436844388.db2.gz QVOAGZXRFSSKJN-HIFRSBDPSA-N 1 1 334.424 0.415 20 30 ECEDMO C[C@@H](CNC(=O)CNc1cccc(C#N)c1)CN1CC[NH+](C)CC1 ZINC000160485484 436872719 /nfs/dbraw/zinc/87/27/19/436872719.db2.gz WIWDVZLHHVOMPE-HNNXBMFYSA-N 1 1 329.448 0.970 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 ZINC000163176525 436919691 /nfs/dbraw/zinc/91/96/91/436919691.db2.gz MGTBIOSGRCBJBP-UHFFFAOYSA-N 1 1 332.408 0.828 20 30 ECEDMO C[C@](O)(CNC(=O)CNc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000163672265 436925720 /nfs/dbraw/zinc/92/57/20/436925720.db2.gz SKLRLGWEUPWZFF-KRWDZBQOSA-N 1 1 332.404 0.170 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OCCOC)cc1 ZINC000293459653 436879555 /nfs/dbraw/zinc/87/95/55/436879555.db2.gz UALIGFMQALKUPL-UHFFFAOYSA-N 1 1 347.415 0.722 20 30 ECEDMO CC[NH+]=C(NCc1sc(C)nc1C)NC[C@@H]1CN2CCN1CC2 ZINC000261634911 436881756 /nfs/dbraw/zinc/88/17/56/436881756.db2.gz BDZMUYZRXDMRPW-CQSZACIVSA-N 1 1 336.509 0.815 20 30 ECEDMO CC[NH+]=C(NCc1cn[nH]c1C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261748714 436886477 /nfs/dbraw/zinc/88/64/77/436886477.db2.gz LNVXRHAVQXVHNZ-OAHLLOKOSA-N 1 1 331.424 0.991 20 30 ECEDMO C=C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000133900082 436886878 /nfs/dbraw/zinc/88/68/78/436886878.db2.gz BNQBFYHFRWESNK-ZDUSSCGKSA-N 1 1 344.415 0.703 20 30 ECEDMO COc1ccccc1NC(=O)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC000171279244 436973839 /nfs/dbraw/zinc/97/38/39/436973839.db2.gz QTHOBMBEVYUJCG-UHFFFAOYSA-N 1 1 330.388 0.985 20 30 ECEDMO CC(C)C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)N(C)C ZINC000264064630 437015823 /nfs/dbraw/zinc/01/58/23/437015823.db2.gz DOLSWQWCXLFZRN-OAHLLOKOSA-N 1 1 333.484 0.890 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(OC)c(OCCO)c2)CC1 ZINC000281582524 436983066 /nfs/dbraw/zinc/98/30/66/436983066.db2.gz NADPMKQDZKADGD-UHFFFAOYSA-N 1 1 332.400 0.847 20 30 ECEDMO Cc1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1C#N ZINC000296281027 436989367 /nfs/dbraw/zinc/98/93/67/436989367.db2.gz RAJBWFZZRPOVMF-AWEZNQCLSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1C#N ZINC000296281027 436989372 /nfs/dbraw/zinc/98/93/72/436989372.db2.gz RAJBWFZZRPOVMF-AWEZNQCLSA-N 1 1 337.445 0.992 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000284270618 437054121 /nfs/dbraw/zinc/05/41/21/437054121.db2.gz VVWJBQMFVUJAOP-UHFFFAOYSA-N 1 1 338.452 0.128 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000299585800 437093555 /nfs/dbraw/zinc/09/35/55/437093555.db2.gz CMNOWZSOFZZSOI-UHFFFAOYSA-N 1 1 339.403 0.990 20 30 ECEDMO N#Cc1ncn(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000287030886 437154508 /nfs/dbraw/zinc/15/45/08/437154508.db2.gz WASISMHKWYGBQS-HNNXBMFYSA-N 1 1 340.387 0.167 20 30 ECEDMO N#Cc1ncn(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000287030886 437154513 /nfs/dbraw/zinc/15/45/13/437154513.db2.gz WASISMHKWYGBQS-HNNXBMFYSA-N 1 1 340.387 0.167 20 30 ECEDMO C#CCNc1nc(NCC2(C)COC2)nc(NCC2(C)COC2)[nH+]1 ZINC000287314803 437178257 /nfs/dbraw/zinc/17/82/57/437178257.db2.gz LXLGXGDOVBDVCU-UHFFFAOYSA-N 1 1 332.408 0.814 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC(=O)N2CCCCC2)c1 ZINC000322850590 437220037 /nfs/dbraw/zinc/22/00/37/437220037.db2.gz PJVOZCZSMYAAJM-UHFFFAOYSA-N 1 1 335.429 0.934 20 30 ECEDMO CN(C)c1nc(N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)cc[nH+]1 ZINC000332414635 437220580 /nfs/dbraw/zinc/22/05/80/437220580.db2.gz LDRVMCTWKNCDFT-UHFFFAOYSA-N 1 1 325.376 0.705 20 30 ECEDMO C=C[C@H]1CCCC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000332567282 437231888 /nfs/dbraw/zinc/23/18/88/437231888.db2.gz BIXMYLCLTPHQJC-ZDUSSCGKSA-N 1 1 331.420 0.864 20 30 ECEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@H]1COCCO1 ZINC000328637106 437243919 /nfs/dbraw/zinc/24/39/19/437243919.db2.gz ANLDCDOPNMWTDY-AWEZNQCLSA-N 1 1 329.441 0.606 20 30 ECEDMO C[C@H](C(=O)NC[C@H]1CCCN1S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000328666829 437248657 /nfs/dbraw/zinc/24/86/57/437248657.db2.gz CUWTZDXGNLTMPG-CHWSQXEVSA-N 1 1 332.470 0.003 20 30 ECEDMO NS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000328678501 437250631 /nfs/dbraw/zinc/25/06/31/437250631.db2.gz SVCSINKLOVFZDY-KBPBESRZSA-N 1 1 344.481 0.670 20 30 ECEDMO C=CCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000288297117 437306808 /nfs/dbraw/zinc/30/68/08/437306808.db2.gz RGKYESWZEPCWLM-INIZCTEOSA-N 1 1 344.459 0.958 20 30 ECEDMO Cn1ccc(CNC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000329052880 437308786 /nfs/dbraw/zinc/30/87/86/437308786.db2.gz RVHKWAIYLNPVNJ-INIZCTEOSA-N 1 1 334.468 0.936 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000336913036 437309804 /nfs/dbraw/zinc/30/98/04/437309804.db2.gz KNRBXAZBTGHYJP-UHFFFAOYSA-N 1 1 345.513 0.425 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000336913036 437309809 /nfs/dbraw/zinc/30/98/09/437309809.db2.gz KNRBXAZBTGHYJP-UHFFFAOYSA-N 1 1 345.513 0.425 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336924403 437312185 /nfs/dbraw/zinc/31/21/85/437312185.db2.gz UAGMFXBPNSGHKZ-ZDUSSCGKSA-N 1 1 330.454 0.167 20 30 ECEDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336926573 437312593 /nfs/dbraw/zinc/31/25/93/437312593.db2.gz XIMGIFNEEXKIPO-UONOGXRCSA-N 1 1 330.454 0.310 20 30 ECEDMO CCC[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC[N@@H+]1CCOC ZINC000336936814 437314485 /nfs/dbraw/zinc/31/44/85/437314485.db2.gz GKVNFOMYDBGJJN-LSDHHAIUSA-N 1 1 346.497 0.755 20 30 ECEDMO CCC[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC[N@H+]1CCOC ZINC000336936814 437314488 /nfs/dbraw/zinc/31/44/88/437314488.db2.gz GKVNFOMYDBGJJN-LSDHHAIUSA-N 1 1 346.497 0.755 20 30 ECEDMO CNC(=O)N[C@@H]1CC[N@@H+](CCc2c(C)nc3sccn3c2=O)C1 ZINC000329096185 437317165 /nfs/dbraw/zinc/31/71/65/437317165.db2.gz YDBYHSWKSZHULR-LLVKDONJSA-N 1 1 335.433 0.815 20 30 ECEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000266968357 437271719 /nfs/dbraw/zinc/27/17/19/437271719.db2.gz YUKQMVAUKRMVRC-ZDUSSCGKSA-N 1 1 337.445 0.336 20 30 ECEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000266968357 437271725 /nfs/dbraw/zinc/27/17/25/437271725.db2.gz YUKQMVAUKRMVRC-ZDUSSCGKSA-N 1 1 337.445 0.336 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C1 ZINC000329137172 437322068 /nfs/dbraw/zinc/32/20/68/437322068.db2.gz RHZOSQFXZPHBPJ-CAOSSQGBSA-N 1 1 341.452 0.483 20 30 ECEDMO CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000328971138 437293688 /nfs/dbraw/zinc/29/36/88/437293688.db2.gz BLICVVBYJKOVME-NGFQHRJXSA-N 1 1 348.451 0.974 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCOc2ccc(C(N)=O)cc2)CC1 ZINC000267153819 437297862 /nfs/dbraw/zinc/29/78/62/437297862.db2.gz OBNJLJCBEWFLCF-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329261320 437342570 /nfs/dbraw/zinc/34/25/70/437342570.db2.gz AXEDWKAYUHLJNE-GFCCVEGCSA-N 1 1 344.481 0.564 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000329306048 437350158 /nfs/dbraw/zinc/35/01/58/437350158.db2.gz PCBNQHPBPZEOFA-CQSZACIVSA-N 1 1 343.431 0.990 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000329301507 437350417 /nfs/dbraw/zinc/35/04/17/437350417.db2.gz VWGYNQAVBJBYDD-BZPMIXESSA-N 1 1 329.466 0.798 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000329301507 437350422 /nfs/dbraw/zinc/35/04/22/437350422.db2.gz VWGYNQAVBJBYDD-BZPMIXESSA-N 1 1 329.466 0.798 20 30 ECEDMO C[C@H]1CN(C(=O)NCCC2(O)CCOCC2)CC[N@H+]1CC(C)(C)O ZINC000329334262 437352917 /nfs/dbraw/zinc/35/29/17/437352917.db2.gz KRIQINKDWYTUNE-AWEZNQCLSA-N 1 1 343.468 0.609 20 30 ECEDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000329506661 437376012 /nfs/dbraw/zinc/37/60/12/437376012.db2.gz APYJIUNHDYEVIS-RQJABVFESA-N 1 1 340.424 0.778 20 30 ECEDMO Cc1nc(CN2CCC[N@H+](CCC(=O)N(C)CCC#N)CC2)no1 ZINC000181563399 437324840 /nfs/dbraw/zinc/32/48/40/437324840.db2.gz FJKRVXVSQNSOJK-UHFFFAOYSA-N 1 1 334.424 0.648 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000337062002 437325125 /nfs/dbraw/zinc/32/51/25/437325125.db2.gz HLRIZSIFAAIZEU-DZGCQCFKSA-N 1 1 328.482 0.986 20 30 ECEDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000337067594 437326972 /nfs/dbraw/zinc/32/69/72/437326972.db2.gz LSRLYNOOSQYEGU-ZDUSSCGKSA-N 1 1 327.410 0.031 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000337070611 437327425 /nfs/dbraw/zinc/32/74/25/437327425.db2.gz OCYOXQOXXROOBF-CABCVRRESA-N 1 1 346.497 0.539 20 30 ECEDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N(CCC#N)CCOC)C1 ZINC000337084828 437329234 /nfs/dbraw/zinc/32/92/34/437329234.db2.gz CXXIIIPGYUEZQB-OAHLLOKOSA-N 1 1 346.497 0.757 20 30 ECEDMO Cc1nc(S(=O)(=O)NCC(=O)NCC2=CC[N@@H+](C)CC2)cn1C ZINC000329215132 437334474 /nfs/dbraw/zinc/33/44/74/437334474.db2.gz MFCGBKHFSVQCRO-UHFFFAOYSA-N 1 1 341.437 0.225 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000337170269 437338597 /nfs/dbraw/zinc/33/85/97/437338597.db2.gz DZSZFFSPTGJHKB-KBPBESRZSA-N 1 1 332.470 0.101 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@@H]1C ZINC000329804393 437415176 /nfs/dbraw/zinc/41/51/76/437415176.db2.gz ZZBQCIITZDKVPL-LJIGWXMPSA-N 1 1 341.452 0.625 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 ZINC000329813657 437416388 /nfs/dbraw/zinc/41/63/88/437416388.db2.gz TVAGJWIFLLLRTL-NSHDSACASA-N 1 1 339.421 0.695 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 ZINC000329813657 437416390 /nfs/dbraw/zinc/41/63/90/437416390.db2.gz TVAGJWIFLLLRTL-NSHDSACASA-N 1 1 339.421 0.695 20 30 ECEDMO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NCC[NH+]2CCSCC2)n1 ZINC000329901981 437429901 /nfs/dbraw/zinc/42/99/01/437429901.db2.gz HIVZGWZDBMLEJQ-VXGBXAGGSA-N 1 1 341.437 0.449 20 30 ECEDMO C=CCn1c(-c2cccn2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000337871768 437382434 /nfs/dbraw/zinc/38/24/34/437382434.db2.gz VPHPMZNPQZCNHU-AWEZNQCLSA-N 1 1 328.420 0.990 20 30 ECEDMO C=CCn1c(-c2cccn2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000337871768 437382438 /nfs/dbraw/zinc/38/24/38/437382438.db2.gz VPHPMZNPQZCNHU-AWEZNQCLSA-N 1 1 328.420 0.990 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000329621226 437393327 /nfs/dbraw/zinc/39/33/27/437393327.db2.gz FOGUFUMVTDKMEZ-QAETUUGQSA-N 1 1 334.464 0.381 20 30 ECEDMO C[C@@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)CN1CC[NH+](C)CC1 ZINC000329657528 437396781 /nfs/dbraw/zinc/39/67/81/437396781.db2.gz NGAJUJFRHKUQMH-RRFJBIMHSA-N 1 1 337.468 0.835 20 30 ECEDMO C[C@H]1OCC[C@H]1NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000330253144 437474722 /nfs/dbraw/zinc/47/47/22/437474722.db2.gz ISDHVFGTNBWVBG-UKRRQHHQSA-N 1 1 338.452 0.564 20 30 ECEDMO Cc1nnc([C@@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)[nH]1 ZINC000330064286 437451023 /nfs/dbraw/zinc/45/10/23/437451023.db2.gz CDNFQBJJNOHIOF-KGLIPLIRSA-N 1 1 335.456 0.452 20 30 ECEDMO O=C(N[C@@H]1CCn2ccnc2C1)N1CCN(c2cnccn2)CC1 ZINC000330176169 437464966 /nfs/dbraw/zinc/46/49/66/437464966.db2.gz CASPDNIPDPJNFL-CYBMUJFWSA-N 1 1 327.392 0.724 20 30 ECEDMO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2cnccn2)CC1 ZINC000330176169 437464969 /nfs/dbraw/zinc/46/49/69/437464969.db2.gz CASPDNIPDPJNFL-CYBMUJFWSA-N 1 1 327.392 0.724 20 30 ECEDMO O=C(N[C@H]1CCn2ccnc2C1)N1CCN(c2cnccn2)CC1 ZINC000330176170 437465041 /nfs/dbraw/zinc/46/50/41/437465041.db2.gz CASPDNIPDPJNFL-ZDUSSCGKSA-N 1 1 327.392 0.724 20 30 ECEDMO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCN(c2cnccn2)CC1 ZINC000330176170 437465044 /nfs/dbraw/zinc/46/50/44/437465044.db2.gz CASPDNIPDPJNFL-ZDUSSCGKSA-N 1 1 327.392 0.724 20 30 ECEDMO CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330196986 437467742 /nfs/dbraw/zinc/46/77/42/437467742.db2.gz RDZFIAMSDUYPJJ-MGPQQGTHSA-N 1 1 344.481 0.493 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000330378516 437495545 /nfs/dbraw/zinc/49/55/45/437495545.db2.gz GAPFAVXNDOEJKR-ZIAGYGMSSA-N 1 1 346.497 0.490 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000330378516 437495547 /nfs/dbraw/zinc/49/55/47/437495547.db2.gz GAPFAVXNDOEJKR-ZIAGYGMSSA-N 1 1 346.497 0.490 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)C1=O ZINC000330384417 437498553 /nfs/dbraw/zinc/49/85/53/437498553.db2.gz KLVGUGXAUKARSY-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000339751336 437503746 /nfs/dbraw/zinc/50/37/46/437503746.db2.gz SFLDNWJBDWTWED-IAGOWNOFSA-N 1 1 336.480 0.773 20 30 ECEDMO C=C[C@H](CO)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000290590565 437503819 /nfs/dbraw/zinc/50/38/19/437503819.db2.gz MIAAVQOQDSWNEO-CYBMUJFWSA-N 1 1 327.425 0.592 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000330425573 437507195 /nfs/dbraw/zinc/50/71/95/437507195.db2.gz VIPKTYDLSUQKNE-BFHYXJOUSA-N 1 1 346.497 0.943 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000330430087 437509056 /nfs/dbraw/zinc/50/90/56/437509056.db2.gz HZGLCSRYGWMAFN-QWHCGFSZSA-N 1 1 326.441 0.909 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1sccc1C#N ZINC000340038386 437553890 /nfs/dbraw/zinc/55/38/90/437553890.db2.gz VMPPQSXPFHHBKA-LBPRGKRZSA-N 1 1 336.417 0.785 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000330602058 437564539 /nfs/dbraw/zinc/56/45/39/437564539.db2.gz ZXKJEZVPOFDOIE-IHRRRGAJSA-N 1 1 327.425 0.895 20 30 ECEDMO CC(C)N1C[C@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1=O ZINC000331158469 437702175 /nfs/dbraw/zinc/70/21/75/437702175.db2.gz DQYHECYZRSSSKP-CQSZACIVSA-N 1 1 340.468 0.688 20 30 ECEDMO N#CC1(F)CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000344742302 437763678 /nfs/dbraw/zinc/76/36/78/437763678.db2.gz PNEVUVPPBZNKIC-CYBMUJFWSA-N 1 1 339.415 0.611 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000363004394 437765684 /nfs/dbraw/zinc/76/56/84/437765684.db2.gz AWGQHYKGRZENMR-RBSFLKMASA-N 1 1 338.452 0.572 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000363004394 437765687 /nfs/dbraw/zinc/76/56/87/437765687.db2.gz AWGQHYKGRZENMR-RBSFLKMASA-N 1 1 338.452 0.572 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000363004394 437765688 /nfs/dbraw/zinc/76/56/88/437765688.db2.gz AWGQHYKGRZENMR-RBSFLKMASA-N 1 1 338.452 0.572 20 30 ECEDMO C=C(C)CS(=O)(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000331231469 437721720 /nfs/dbraw/zinc/72/17/20/437721720.db2.gz ICXLTHJXNXVVCQ-UHFFFAOYSA-N 1 1 325.438 0.571 20 30 ECEDMO COC(=O)CN(CC#N)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000362237732 437725408 /nfs/dbraw/zinc/72/54/08/437725408.db2.gz UHPSWUJTBGNGNC-UHFFFAOYSA-N 1 1 344.415 0.329 20 30 ECEDMO CCc1nnc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000331262395 437729372 /nfs/dbraw/zinc/72/93/72/437729372.db2.gz DFPHLZJRRBMEJH-UHFFFAOYSA-N 1 1 326.470 1.452 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)NC[C@@H](O)C(F)(F)F)CC1(C)C ZINC000331263366 437729597 /nfs/dbraw/zinc/72/95/97/437729597.db2.gz FPNCFVPWZJEQJW-SNVBAGLBSA-N 1 1 326.363 0.439 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000344090887 437730639 /nfs/dbraw/zinc/73/06/39/437730639.db2.gz JMENRDKPBHZTSX-CYBMUJFWSA-N 1 1 331.482 0.671 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000356305057 437758915 /nfs/dbraw/zinc/75/89/15/437758915.db2.gz QAXGHGWJLSUXJX-JSGCOSHPSA-N 1 1 328.438 0.608 20 30 ECEDMO Cn1ncc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1C#N ZINC000356606585 437795963 /nfs/dbraw/zinc/79/59/63/437795963.db2.gz YSXOCTSDPJEOLF-GJZGRUSLSA-N 1 1 339.399 0.657 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000345901860 437800683 /nfs/dbraw/zinc/80/06/83/437800683.db2.gz ICACDIOFHFPKNO-KRWDZBQOSA-N 1 1 340.427 0.866 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371019171 437870334 /nfs/dbraw/zinc/87/03/34/437870334.db2.gz QGXSWQIQNOXCDU-ZIAGYGMSSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000371019171 437870336 /nfs/dbraw/zinc/87/03/36/437870336.db2.gz QGXSWQIQNOXCDU-ZIAGYGMSSA-N 1 1 339.392 0.839 20 30 ECEDMO C[C@@H](C#N)S(=O)(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000416368656 437922278 /nfs/dbraw/zinc/92/22/78/437922278.db2.gz HJMHEJKYZUZBPF-AWEZNQCLSA-N 1 1 336.461 0.765 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341799742 437899973 /nfs/dbraw/zinc/89/99/73/437899973.db2.gz HJRPGYQTIGYZES-GJZGRUSLSA-N 1 1 340.468 0.413 20 30 ECEDMO C=CCC1(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CCOCC1 ZINC000424696685 437982960 /nfs/dbraw/zinc/98/29/60/437982960.db2.gz NMLLGHXDRQVIBC-INIZCTEOSA-N 1 1 326.437 0.559 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000425441510 438025334 /nfs/dbraw/zinc/02/53/34/438025334.db2.gz IFSQQXMWOPCUNH-KKUMJFAQSA-N 1 1 338.452 0.464 20 30 ECEDMO CNS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000372149064 438039049 /nfs/dbraw/zinc/03/90/49/438039049.db2.gz KQZJYDDBBHZGQP-ZDUSSCGKSA-N 1 1 339.417 0.569 20 30 ECEDMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000372149064 438039056 /nfs/dbraw/zinc/03/90/56/438039056.db2.gz KQZJYDDBBHZGQP-ZDUSSCGKSA-N 1 1 339.417 0.569 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428506515 438089796 /nfs/dbraw/zinc/08/97/96/438089796.db2.gz LRQOPXIAKAGGSV-AWEZNQCLSA-N 1 1 347.463 0.871 20 30 ECEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)c1ccccc1 ZINC000366438641 438075197 /nfs/dbraw/zinc/07/51/97/438075197.db2.gz LSIUMFDUZUWPBA-GJZGRUSLSA-N 1 1 340.383 0.528 20 30 ECEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)c1ccccc1 ZINC000366438641 438075204 /nfs/dbraw/zinc/07/52/04/438075204.db2.gz LSIUMFDUZUWPBA-GJZGRUSLSA-N 1 1 340.383 0.528 20 30 ECEDMO C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000372752836 438110312 /nfs/dbraw/zinc/11/03/12/438110312.db2.gz TUOQRMUAYUFLLS-AWEZNQCLSA-N 1 1 337.445 0.777 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000372752836 438110314 /nfs/dbraw/zinc/11/03/14/438110314.db2.gz TUOQRMUAYUFLLS-AWEZNQCLSA-N 1 1 337.445 0.777 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000430561324 438113667 /nfs/dbraw/zinc/11/36/67/438113667.db2.gz ZZBUUGLQKUGSKB-XHSDSOJGSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000430561324 438113672 /nfs/dbraw/zinc/11/36/72/438113672.db2.gz ZZBUUGLQKUGSKB-XHSDSOJGSA-N 1 1 337.464 0.882 20 30 ECEDMO COC(=O)[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC12CCC2 ZINC000373180661 438135340 /nfs/dbraw/zinc/13/53/40/438135340.db2.gz POLXJNZMMWJKPO-CQSZACIVSA-N 1 1 332.404 0.917 20 30 ECEDMO C=CCN1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1=O ZINC000373963959 438176380 /nfs/dbraw/zinc/17/63/80/438176380.db2.gz WOIUAFVQGXBGHE-ZNMIVQPWSA-N 1 1 336.436 0.278 20 30 ECEDMO C=CCN1CC[C@H](N(C)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1=O ZINC000373963948 438176902 /nfs/dbraw/zinc/17/69/02/438176902.db2.gz WOIUAFVQGXBGHE-ILXRZTDVSA-N 1 1 336.436 0.278 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCC(=O)N(C)CCC#N)O1 ZINC000367226097 438185004 /nfs/dbraw/zinc/18/50/04/438185004.db2.gz TXWVHCVCNDDFSS-KBXIAJHMSA-N 1 1 337.420 0.932 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000358223807 438187073 /nfs/dbraw/zinc/18/70/73/438187073.db2.gz LPSUMUSFSYJRCM-CYBMUJFWSA-N 1 1 329.809 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)C1=O ZINC000374100482 438188516 /nfs/dbraw/zinc/18/85/16/438188516.db2.gz UFCUEAVWIZWNPM-OAHLLOKOSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)C1=O ZINC000374100482 438188519 /nfs/dbraw/zinc/18/85/19/438188519.db2.gz UFCUEAVWIZWNPM-OAHLLOKOSA-N 1 1 336.480 0.696 20 30 ECEDMO N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)o1 ZINC000431802469 438172044 /nfs/dbraw/zinc/17/20/44/438172044.db2.gz XFJXJXCOTNGQGE-UHFFFAOYSA-N 1 1 340.387 0.883 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000374580653 438218592 /nfs/dbraw/zinc/21/85/92/438218592.db2.gz SNXIIPDSNLFTCM-QWHCGFSZSA-N 1 1 332.495 0.588 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000374424757 438207750 /nfs/dbraw/zinc/20/77/50/438207750.db2.gz RMXWOXHVEIGFRJ-CBBWQLFWSA-N 1 1 326.466 0.739 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000375494590 438256124 /nfs/dbraw/zinc/25/61/24/438256124.db2.gz HLEFJMVZLHBTKB-HNNXBMFYSA-N 1 1 330.432 0.563 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375782556 438261464 /nfs/dbraw/zinc/26/14/64/438261464.db2.gz LCLIDNLWISUXEA-KBPBESRZSA-N 1 1 325.409 0.658 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375782556 438261466 /nfs/dbraw/zinc/26/14/66/438261466.db2.gz LCLIDNLWISUXEA-KBPBESRZSA-N 1 1 325.409 0.658 20 30 ECEDMO O=C(NCC#Cc1ccccc1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419114751 438326584 /nfs/dbraw/zinc/32/65/84/438326584.db2.gz MYCFZKRNLXYIPO-GOSISDBHSA-N 1 1 348.406 0.722 20 30 ECEDMO N#CCNC(=O)CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000377070487 438301295 /nfs/dbraw/zinc/30/12/95/438301295.db2.gz XYYRVZJLZVHHLC-UHFFFAOYSA-N 1 1 329.404 0.544 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000377575449 438313309 /nfs/dbraw/zinc/31/33/09/438313309.db2.gz PAGBGXWLZIWHEF-DLBZAZTESA-N 1 1 336.480 0.877 20 30 ECEDMO C[N@@H+]1CC[C@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C[C@@H]21 ZINC000377603192 438313320 /nfs/dbraw/zinc/31/33/20/438313320.db2.gz GHAXVEXBZRIHNX-GJZGRUSLSA-N 1 1 334.445 0.753 20 30 ECEDMO C[N@H+]1CC[C@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C[C@@H]21 ZINC000377603192 438313322 /nfs/dbraw/zinc/31/33/22/438313322.db2.gz GHAXVEXBZRIHNX-GJZGRUSLSA-N 1 1 334.445 0.753 20 30 ECEDMO COC(=O)c1cn([C@@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)nn1 ZINC000368335007 438317254 /nfs/dbraw/zinc/31/72/54/438317254.db2.gz XUQCWIVCXKEQAH-CYBMUJFWSA-N 1 1 348.407 0.464 20 30 ECEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCN[C@@H](C)C1)C(C)C ZINC000419563436 438363338 /nfs/dbraw/zinc/36/33/38/438363338.db2.gz BBBSLDQIGGTMFO-JKSUJKDBSA-N 1 1 336.480 0.622 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368803556 438380543 /nfs/dbraw/zinc/38/05/43/438380543.db2.gz XNJLBKZLBPFLTG-CQSZACIVSA-N 1 1 332.408 0.132 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368803556 438380548 /nfs/dbraw/zinc/38/05/48/438380548.db2.gz XNJLBKZLBPFLTG-CQSZACIVSA-N 1 1 332.408 0.132 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)CC1 ZINC000369086195 438422004 /nfs/dbraw/zinc/42/20/04/438422004.db2.gz ZEHSGNIKNOHMJQ-HNNXBMFYSA-N 1 1 335.473 0.856 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000369118409 438425417 /nfs/dbraw/zinc/42/54/17/438425417.db2.gz UXHHXEKHCVRHSF-KBPBESRZSA-N 1 1 330.454 0.119 20 30 ECEDMO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000352175812 438394989 /nfs/dbraw/zinc/39/49/89/438394989.db2.gz JMAHUIXVYQIADK-UHFFFAOYSA-N 1 1 346.416 0.634 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000420312557 438397390 /nfs/dbraw/zinc/39/73/90/438397390.db2.gz HZESGVPDAYWACO-PMPSAXMXSA-N 1 1 334.464 0.354 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000420312557 438397392 /nfs/dbraw/zinc/39/73/92/438397392.db2.gz HZESGVPDAYWACO-PMPSAXMXSA-N 1 1 334.464 0.354 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)c(Cl)c1 ZINC000403979908 438464101 /nfs/dbraw/zinc/46/41/01/438464101.db2.gz APGIERYMGGJEJP-STQMWFEESA-N 1 1 341.820 0.963 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000369403995 438468303 /nfs/dbraw/zinc/46/83/03/438468303.db2.gz XWSZQJZZOXJTMJ-FXUDXRNXSA-N 1 1 336.436 0.810 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)c1 ZINC000407973836 438476951 /nfs/dbraw/zinc/47/69/51/438476951.db2.gz LEQYRVRYZNAFHY-AWEZNQCLSA-N 1 1 337.449 0.991 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)CCCCC#N)CC2)C1 ZINC000369357304 438459336 /nfs/dbraw/zinc/45/93/36/438459336.db2.gz FPMYJQJARIBRMS-HNNXBMFYSA-N 1 1 328.482 0.722 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000440950035 438572301 /nfs/dbraw/zinc/57/23/01/438572301.db2.gz AKYOFRFSSGFBOU-JSGCOSHPSA-N 1 1 346.435 1.215 20 30 ECEDMO CCO[C@@H]1COC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000451943314 438619322 /nfs/dbraw/zinc/61/93/22/438619322.db2.gz DHAFJFFOUOTRHP-CHWSQXEVSA-N 1 1 325.390 0.120 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410688172 438628071 /nfs/dbraw/zinc/62/80/71/438628071.db2.gz MHSCREVJSFNGTR-CQSZACIVSA-N 1 1 325.453 0.715 20 30 ECEDMO C=CCCCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410688172 438628074 /nfs/dbraw/zinc/62/80/74/438628074.db2.gz MHSCREVJSFNGTR-CQSZACIVSA-N 1 1 325.453 0.715 20 30 ECEDMO COCCC[N@@H+](CCO)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000446066771 438668697 /nfs/dbraw/zinc/66/86/97/438668697.db2.gz CQQITTLRVJDHQN-MRXNPFEDSA-N 1 1 340.468 0.010 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000448645927 438685046 /nfs/dbraw/zinc/68/50/46/438685046.db2.gz DJLFKZCKYSPGTR-CVEARBPZSA-N 1 1 345.447 0.696 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453660195 438687111 /nfs/dbraw/zinc/68/71/11/438687111.db2.gz QXEZUSSUQGBDRK-UHFFFAOYSA-N 1 1 332.404 0.776 20 30 ECEDMO Cc1nc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1C#N ZINC000453712299 438690297 /nfs/dbraw/zinc/69/02/97/438690297.db2.gz NFQQTAAEZMKWCR-SMDDNHRTSA-N 1 1 327.388 0.895 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000451671284 438706666 /nfs/dbraw/zinc/70/66/66/438706666.db2.gz PXDRZDVXKIEKRS-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451671284 438706668 /nfs/dbraw/zinc/70/66/68/438706668.db2.gz PXDRZDVXKIEKRS-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CC12COC2 ZINC000451141355 438696640 /nfs/dbraw/zinc/69/66/40/438696640.db2.gz VOESAFRKLZBBCB-CHWSQXEVSA-N 1 1 335.404 0.449 20 30 ECEDMO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CC12COC2 ZINC000451141355 438696641 /nfs/dbraw/zinc/69/66/41/438696641.db2.gz VOESAFRKLZBBCB-CHWSQXEVSA-N 1 1 335.404 0.449 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413594034 438696696 /nfs/dbraw/zinc/69/66/96/438696696.db2.gz MCOINKHTQAFXMH-CVEARBPZSA-N 1 1 341.452 0.709 20 30 ECEDMO CCOC(=O)[C@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC12COC2 ZINC000451124770 438696787 /nfs/dbraw/zinc/69/67/87/438696787.db2.gz JJTDHDOQZLURQB-CJNGLKHVSA-N 1 1 335.404 0.306 20 30 ECEDMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC12COC2 ZINC000451124770 438696789 /nfs/dbraw/zinc/69/67/89/438696789.db2.gz JJTDHDOQZLURQB-CJNGLKHVSA-N 1 1 335.404 0.306 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000451664913 438705219 /nfs/dbraw/zinc/70/52/19/438705219.db2.gz CTOPKCRXLCKZET-ZIAGYGMSSA-N 1 1 332.470 0.149 20 30 ECEDMO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)ccc1C#N ZINC000451667558 438707154 /nfs/dbraw/zinc/70/71/54/438707154.db2.gz JHKQLJUVMJKUNK-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)ccc1C#N ZINC000451667558 438707157 /nfs/dbraw/zinc/70/71/57/438707157.db2.gz JHKQLJUVMJKUNK-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NCCCCN1CC[NH+](C)CC1 ZINC000554658728 438767654 /nfs/dbraw/zinc/76/76/54/438767654.db2.gz MSQFQLGPWDXPIZ-AWEZNQCLSA-N 1 1 331.486 0.082 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)C1 ZINC000588123628 438819556 /nfs/dbraw/zinc/81/95/56/438819556.db2.gz DLULMAXVDAOYCD-OAHLLOKOSA-N 1 1 349.479 0.185 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000577188783 438820446 /nfs/dbraw/zinc/82/04/46/438820446.db2.gz MVPSINLRWZTJSX-BBWFWOEESA-N 1 1 325.453 0.853 20 30 ECEDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)[C@H](C)C1 ZINC000588699244 438835588 /nfs/dbraw/zinc/83/55/88/438835588.db2.gz SOLPUBQCUJOZEL-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)[C@H](C)C1 ZINC000588699244 438835592 /nfs/dbraw/zinc/83/55/92/438835592.db2.gz SOLPUBQCUJOZEL-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000595739864 438854303 /nfs/dbraw/zinc/85/43/03/438854303.db2.gz KZKRMFBVQPUONT-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(CO)n2)nc1 ZINC000564975933 438896734 /nfs/dbraw/zinc/89/67/34/438896734.db2.gz OGZFBZNLHOJQIS-UHFFFAOYSA-N 1 1 332.385 0.404 20 30 ECEDMO CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000578091066 438897079 /nfs/dbraw/zinc/89/70/79/438897079.db2.gz OPQVOTQXPKKZSD-DZGCQCFKSA-N 1 1 340.383 0.648 20 30 ECEDMO CNC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000578091066 438897083 /nfs/dbraw/zinc/89/70/83/438897083.db2.gz OPQVOTQXPKKZSD-DZGCQCFKSA-N 1 1 340.383 0.648 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000590204142 438902200 /nfs/dbraw/zinc/90/22/00/438902200.db2.gz JIHHWDVVHAAULW-OAHLLOKOSA-N 1 1 341.415 0.816 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC(CO)(CO)C1 ZINC000595799975 438863168 /nfs/dbraw/zinc/86/31/68/438863168.db2.gz OMOXRDMATUOCIG-OAHLLOKOSA-N 1 1 331.416 0.998 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC(CO)(CO)C1 ZINC000595799975 438863173 /nfs/dbraw/zinc/86/31/73/438863173.db2.gz OMOXRDMATUOCIG-OAHLLOKOSA-N 1 1 331.416 0.998 20 30 ECEDMO C=CCCn1cc(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)nn1 ZINC000564865826 438881930 /nfs/dbraw/zinc/88/19/30/438881930.db2.gz JKMCVMBWBOTKBX-UHFFFAOYSA-N 1 1 329.408 0.987 20 30 ECEDMO C=CCC[C@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000458441778 438887204 /nfs/dbraw/zinc/88/72/04/438887204.db2.gz UOQUBGYJHMYPRH-ZIAGYGMSSA-N 1 1 326.441 0.200 20 30 ECEDMO C[NH+]1CCN(CC2CN(C(=O)CNc3ccc(C#N)cc3)C2)CC1 ZINC000590399098 438918053 /nfs/dbraw/zinc/91/80/53/438918053.db2.gz FVEPIDKCFDNFOT-UHFFFAOYSA-N 1 1 327.432 0.676 20 30 ECEDMO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000601740128 438963941 /nfs/dbraw/zinc/96/39/41/438963941.db2.gz JLHDULMGDKWPJQ-CYBMUJFWSA-N 1 1 332.408 0.931 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000601740128 438963946 /nfs/dbraw/zinc/96/39/46/438963946.db2.gz JLHDULMGDKWPJQ-CYBMUJFWSA-N 1 1 332.408 0.931 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)C[NH+]1CCOCC1 ZINC000602024568 439000040 /nfs/dbraw/zinc/00/00/40/439000040.db2.gz BIRDPHNMNJSYLL-LBPRGKRZSA-N 1 1 348.378 0.720 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000566832001 439093195 /nfs/dbraw/zinc/09/31/95/439093195.db2.gz FHQZNWONCJQICJ-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO CCOC[C@H](O)C[NH+]1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000591820150 439084702 /nfs/dbraw/zinc/08/47/02/439084702.db2.gz FXHWTADUBJBQSN-OAHLLOKOSA-N 1 1 330.432 0.961 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592150849 439167398 /nfs/dbraw/zinc/16/73/98/439167398.db2.gz HPLNHJYFMMFOIA-WBVHZDCISA-N 1 1 333.436 0.029 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592150849 439167403 /nfs/dbraw/zinc/16/74/03/439167403.db2.gz HPLNHJYFMMFOIA-WBVHZDCISA-N 1 1 333.436 0.029 20 30 ECEDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)Cn1cnc(C#N)n1 ZINC000567270432 439128651 /nfs/dbraw/zinc/12/86/51/439128651.db2.gz YGHZYEUGIXENBS-UHFFFAOYSA-N 1 1 327.392 0.525 20 30 ECEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000597626997 439144090 /nfs/dbraw/zinc/14/40/90/439144090.db2.gz WFMAJVIQYUTLQR-ROUUACIJSA-N 1 1 337.427 0.747 20 30 ECEDMO COC(=O)CCN1CCC[C@H]([NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)C1=O ZINC000602850205 439145607 /nfs/dbraw/zinc/14/56/07/439145607.db2.gz PNOYSIQPWGGICF-KFWWJZLASA-N 1 1 336.436 0.459 20 30 ECEDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000597676587 439156089 /nfs/dbraw/zinc/15/60/89/439156089.db2.gz AKPMKJJJVSAHKG-CQSZACIVSA-N 1 1 343.431 1.077 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602903713 439157558 /nfs/dbraw/zinc/15/75/58/439157558.db2.gz ARENIQQBBQVGGN-HNNXBMFYSA-N 1 1 340.387 0.879 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602903713 439157562 /nfs/dbraw/zinc/15/75/62/439157562.db2.gz ARENIQQBBQVGGN-HNNXBMFYSA-N 1 1 340.387 0.879 20 30 ECEDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000592389558 439219974 /nfs/dbraw/zinc/21/99/74/439219974.db2.gz XVTVIHCADSVLIS-CQSZACIVSA-N 1 1 337.401 0.392 20 30 ECEDMO CCCN(C(=O)C(=O)Nc1cc(C)nn1CCC#N)[C@H]1CC[N@@H+](C)C1 ZINC000592300291 439194307 /nfs/dbraw/zinc/19/43/07/439194307.db2.gz JXHHNMBTSAIDNA-AWEZNQCLSA-N 1 1 346.435 0.986 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)c(F)c1 ZINC000568510772 439252940 /nfs/dbraw/zinc/25/29/40/439252940.db2.gz AJQBXYXJKWYTAB-STQMWFEESA-N 1 1 325.365 0.449 20 30 ECEDMO N#Cc1ccnc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000603413738 439257883 /nfs/dbraw/zinc/25/78/83/439257883.db2.gz ZRHWXHYEWXBSAH-MRXNPFEDSA-N 1 1 343.431 0.480 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC000490951481 439318742 /nfs/dbraw/zinc/31/87/42/439318742.db2.gz YOEVFIAKRIULQG-UHFFFAOYSA-N 1 1 345.447 0.509 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](CO)[C@H](O)C3)C2=O)cc1 ZINC000569328458 439322325 /nfs/dbraw/zinc/32/23/25/439322325.db2.gz CWHJFQXLJJHPDU-HYVNUMGLSA-N 1 1 329.400 0.729 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H](CO)[C@H](O)C3)C2=O)cc1 ZINC000569328458 439322329 /nfs/dbraw/zinc/32/23/29/439322329.db2.gz CWHJFQXLJJHPDU-HYVNUMGLSA-N 1 1 329.400 0.729 20 30 ECEDMO C#CCN1CCN(C(=O)CN(C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000491073085 439329694 /nfs/dbraw/zinc/32/96/94/439329694.db2.gz XSHSWPYJMJLESQ-UHFFFAOYSA-N 1 1 346.475 0.811 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)CCCN(C)Cc2ccco2)CC1 ZINC000491073085 439329698 /nfs/dbraw/zinc/32/96/98/439329698.db2.gz XSHSWPYJMJLESQ-UHFFFAOYSA-N 1 1 346.475 0.811 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)CCCN(C)Cc2ccco2)CC1 ZINC000491073085 439329704 /nfs/dbraw/zinc/32/97/04/439329704.db2.gz XSHSWPYJMJLESQ-UHFFFAOYSA-N 1 1 346.475 0.811 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC000491127901 439337604 /nfs/dbraw/zinc/33/76/04/439337604.db2.gz YDAFURPDONTKQD-HNNXBMFYSA-N 1 1 347.381 0.543 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC000491127901 439337609 /nfs/dbraw/zinc/33/76/09/439337609.db2.gz YDAFURPDONTKQD-HNNXBMFYSA-N 1 1 347.381 0.543 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000598615360 439288649 /nfs/dbraw/zinc/28/86/49/439288649.db2.gz XDRZVECRNVRIID-KGLIPLIRSA-N 1 1 329.466 0.787 20 30 ECEDMO C#CCN(CC#C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000490742261 439293097 /nfs/dbraw/zinc/29/30/97/439293097.db2.gz YNYJMJZIOMDDKW-UHFFFAOYSA-N 1 1 340.383 0.220 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1coc(S(=O)(=O)NC)c1 ZINC000490871340 439304810 /nfs/dbraw/zinc/30/48/10/439304810.db2.gz BCBHEHQKCOYMNY-GFCCVEGCSA-N 1 1 326.374 0.442 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1coc(S(=O)(=O)NC)c1 ZINC000490871340 439304813 /nfs/dbraw/zinc/30/48/13/439304813.db2.gz BCBHEHQKCOYMNY-GFCCVEGCSA-N 1 1 326.374 0.442 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000490866009 439304871 /nfs/dbraw/zinc/30/48/71/439304871.db2.gz KXWNORPZZSJRDN-SFHVURJKSA-N 1 1 326.444 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000490871611 439306007 /nfs/dbraw/zinc/30/60/07/439306007.db2.gz BNQCIFBWEKVMRC-UIORMTCPSA-N 1 1 333.388 0.396 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000491267444 439361343 /nfs/dbraw/zinc/36/13/43/439361343.db2.gz TZBWELTZKVXKAP-GASCZTMLSA-N 1 1 333.432 0.623 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2ccccc2C)CC1 ZINC000491209665 439350640 /nfs/dbraw/zinc/35/06/40/439350640.db2.gz KDAHWBSLSIYBGA-QGZVFWFLSA-N 1 1 345.443 0.102 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C(=O)[C@]3(CCCO3)[C@@H]2C(C)C)CC1 ZINC000491340440 439368457 /nfs/dbraw/zinc/36/84/57/439368457.db2.gz XWLSKFBXWSCXMS-LPHOPBHVSA-N 1 1 347.459 0.821 20 30 ECEDMO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000491327852 439366667 /nfs/dbraw/zinc/36/66/67/439366667.db2.gz YJKUSYRAJRSRLR-OAHLLOKOSA-N 1 1 343.427 0.980 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000491375121 439374686 /nfs/dbraw/zinc/37/46/86/439374686.db2.gz UNSLWCUYHVBLCM-CQSZACIVSA-N 1 1 344.481 0.007 20 30 ECEDMO C[N@@H+]1CCN(C(=O)NCC(=O)NCC#N)[C@H](Cc2ccccc2)C1 ZINC000593410490 439379640 /nfs/dbraw/zinc/37/96/40/439379640.db2.gz RTWYLNVPELCMEC-OAHLLOKOSA-N 1 1 329.404 0.194 20 30 ECEDMO C[N@H+]1CCN(C(=O)NCC(=O)NCC#N)[C@H](Cc2ccccc2)C1 ZINC000593410490 439379644 /nfs/dbraw/zinc/37/96/44/439379644.db2.gz RTWYLNVPELCMEC-OAHLLOKOSA-N 1 1 329.404 0.194 20 30 ECEDMO CCS(=O)(=O)C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000570081965 439390005 /nfs/dbraw/zinc/39/00/05/439390005.db2.gz ACQKLSCXPHTBRU-LBPRGKRZSA-N 1 1 344.458 0.745 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@]1(CO)C[C@@H](OCC)C1(C)C ZINC000491474057 439390207 /nfs/dbraw/zinc/39/02/07/439390207.db2.gz JSRHOYRXKIIPSA-PBHICJAKSA-N 1 1 325.453 0.807 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000491525765 439400849 /nfs/dbraw/zinc/40/08/49/439400849.db2.gz VBHHGFNETYJJLB-HNNXBMFYSA-N 1 1 348.422 0.724 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000491535437 439401352 /nfs/dbraw/zinc/40/13/52/439401352.db2.gz BTGYETSKBAVVJS-UHFFFAOYSA-N 1 1 331.424 0.393 20 30 ECEDMO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000583079520 439417537 /nfs/dbraw/zinc/41/75/37/439417537.db2.gz XVEFSQFXTDNVBI-KRWDZBQOSA-N 1 1 346.479 0.129 20 30 ECEDMO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599292950 439420712 /nfs/dbraw/zinc/42/07/12/439420712.db2.gz LNNYYXYCDPWXCO-ZIAGYGMSSA-N 1 1 332.466 0.813 20 30 ECEDMO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599292950 439420715 /nfs/dbraw/zinc/42/07/15/439420715.db2.gz LNNYYXYCDPWXCO-ZIAGYGMSSA-N 1 1 332.466 0.813 20 30 ECEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)CCOCC1 ZINC000599299059 439423555 /nfs/dbraw/zinc/42/35/55/439423555.db2.gz AGKPNJCZJIZTGR-SJORKVTESA-N 1 1 337.464 0.712 20 30 ECEDMO CCOC(=O)C1(O)CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000599305655 439427187 /nfs/dbraw/zinc/42/71/87/439427187.db2.gz ARYFLFDDKFMARR-OAHLLOKOSA-N 1 1 348.399 0.688 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000491714125 439432919 /nfs/dbraw/zinc/43/29/19/439432919.db2.gz FMNYKUHDBJLNJJ-FUHWJXTLSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000491714125 439432926 /nfs/dbraw/zinc/43/29/26/439432926.db2.gz FMNYKUHDBJLNJJ-FUHWJXTLSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CCN(CC#CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000491711622 439433302 /nfs/dbraw/zinc/43/33/02/439433302.db2.gz WVJNJJOQLQDWMQ-ALOPSCKCSA-N 1 1 344.459 0.738 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000491732762 439437084 /nfs/dbraw/zinc/43/70/84/439437084.db2.gz AVUWBOVOMWGWLD-UHFFFAOYSA-N 1 1 345.443 0.449 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCc1nnnn1-c1ccccc1 ZINC000491746139 439440216 /nfs/dbraw/zinc/44/02/16/439440216.db2.gz ZOPNIKSISAVOSN-UHFFFAOYSA-N 1 1 341.419 0.459 20 30 ECEDMO C#C[C@H](CC)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000491761016 439444702 /nfs/dbraw/zinc/44/47/02/439444702.db2.gz UDGUYFVEUHLESD-OAHLLOKOSA-N 1 1 330.436 0.700 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000491772335 439445885 /nfs/dbraw/zinc/44/58/85/439445885.db2.gz QEKQBFJDWMLWDJ-INIZCTEOSA-N 1 1 335.835 0.740 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000491775637 439447658 /nfs/dbraw/zinc/44/76/58/439447658.db2.gz VINZCNSBENGFPN-KGLIPLIRSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000491775637 439447662 /nfs/dbraw/zinc/44/76/62/439447662.db2.gz VINZCNSBENGFPN-KGLIPLIRSA-N 1 1 339.436 0.740 20 30 ECEDMO COC(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000599381663 439450676 /nfs/dbraw/zinc/45/06/76/439450676.db2.gz NBJOUAKQIKBGHX-HNNXBMFYSA-N 1 1 333.388 0.089 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000491802477 439454230 /nfs/dbraw/zinc/45/42/30/439454230.db2.gz GNUXKYPDTIUTRG-UHFFFAOYSA-N 1 1 349.456 0.911 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599435833 439468391 /nfs/dbraw/zinc/46/83/91/439468391.db2.gz BWWKBUHEEBJOCH-ZIAGYGMSSA-N 1 1 342.461 0.896 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000536529445 439539072 /nfs/dbraw/zinc/53/90/72/439539072.db2.gz IGZMCIOZYQUDOS-INIZCTEOSA-N 1 1 328.416 0.931 20 30 ECEDMO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000594478592 439567453 /nfs/dbraw/zinc/56/74/53/439567453.db2.gz RUHIEGAFJJDBJS-LSDHHAIUSA-N 1 1 349.456 0.927 20 30 ECEDMO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000594478592 439567454 /nfs/dbraw/zinc/56/74/54/439567454.db2.gz RUHIEGAFJJDBJS-LSDHHAIUSA-N 1 1 349.456 0.927 20 30 ECEDMO N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000594620022 439581865 /nfs/dbraw/zinc/58/18/65/439581865.db2.gz CUQYDKFIZOBDAD-JKSUJKDBSA-N 1 1 347.463 0.224 20 30 ECEDMO C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1cccc(C#N)c1 ZINC000594621477 439584239 /nfs/dbraw/zinc/58/42/39/439584239.db2.gz WXHVQRWIQWJWNK-VBNZEHGJSA-N 1 1 342.399 0.013 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000609680730 439585662 /nfs/dbraw/zinc/58/56/62/439585662.db2.gz BAINWGWCHNGJHR-FUHWJXTLSA-N 1 1 334.416 0.966 20 30 ECEDMO C[C@@H](C#N)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000609921449 439592596 /nfs/dbraw/zinc/59/25/96/439592596.db2.gz XVJYYYRZIWYVMO-AWEZNQCLSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000610906522 439655883 /nfs/dbraw/zinc/65/58/83/439655883.db2.gz JXTZYLPIELSFQJ-DOMZBBRYSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000610906522 439655884 /nfs/dbraw/zinc/65/58/84/439655884.db2.gz JXTZYLPIELSFQJ-DOMZBBRYSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000610906525 439656071 /nfs/dbraw/zinc/65/60/71/439656071.db2.gz JXTZYLPIELSFQJ-WFASDCNBSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000610906525 439656075 /nfs/dbraw/zinc/65/60/75/439656075.db2.gz JXTZYLPIELSFQJ-WFASDCNBSA-N 1 1 330.388 0.641 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000610912366 439657733 /nfs/dbraw/zinc/65/77/33/439657733.db2.gz AFMRTFNBXJYPMV-LRDDRELGSA-N 1 1 333.388 0.781 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000610912366 439657736 /nfs/dbraw/zinc/65/77/36/439657736.db2.gz AFMRTFNBXJYPMV-LRDDRELGSA-N 1 1 333.388 0.781 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@](C)(C#N)C3)CC2)c1 ZINC000595147157 439661210 /nfs/dbraw/zinc/66/12/10/439661210.db2.gz KFCBNOOWQAPDRK-GOSISDBHSA-N 1 1 341.415 0.801 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000586863798 439664072 /nfs/dbraw/zinc/66/40/72/439664072.db2.gz ASSOUSPDHIRKLN-NHYWBVRUSA-N 1 1 348.378 0.149 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000586863798 439664073 /nfs/dbraw/zinc/66/40/73/439664073.db2.gz ASSOUSPDHIRKLN-NHYWBVRUSA-N 1 1 348.378 0.149 20 30 ECEDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@H]1C ZINC000611100478 439672739 /nfs/dbraw/zinc/67/27/39/439672739.db2.gz GPLBHUSCSYBGKN-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@H]1C ZINC000611100478 439672744 /nfs/dbraw/zinc/67/27/44/439672744.db2.gz GPLBHUSCSYBGKN-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522721 439703002 /nfs/dbraw/zinc/70/30/02/439703002.db2.gz YHHIVFBQCZFQPS-HNNXBMFYSA-N 1 1 349.479 0.423 20 30 ECEDMO N#Cc1ccccc1NC(=O)CCCC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600807323 439704465 /nfs/dbraw/zinc/70/44/65/439704465.db2.gz AUATYIJKJIFSKD-HNNXBMFYSA-N 1 1 344.415 0.850 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000611349071 439692882 /nfs/dbraw/zinc/69/28/82/439692882.db2.gz VFKVQLWLMMKIIH-QZTJIDSGSA-N 1 1 345.443 0.899 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[NH+]2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000611349071 439692889 /nfs/dbraw/zinc/69/28/89/439692889.db2.gz VFKVQLWLMMKIIH-QZTJIDSGSA-N 1 1 345.443 0.899 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(O)cc(C#N)c1 ZINC000614298407 439773703 /nfs/dbraw/zinc/77/37/03/439773703.db2.gz MHOAEONSMXQBPE-INIZCTEOSA-N 1 1 344.415 0.936 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1 ZINC001041735035 782081395 /nfs/dbraw/zinc/08/13/95/782081395.db2.gz BFPQWJGEADDHKJ-VXVMZULRSA-N 1 1 346.431 0.475 20 30 ECEDMO C=CCOCCCC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641668143 439887284 /nfs/dbraw/zinc/88/72/84/439887284.db2.gz LIZMVWDFIGCUOQ-KRWDZBQOSA-N 1 1 339.480 0.882 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000646952139 439943284 /nfs/dbraw/zinc/94/32/84/439943284.db2.gz ZXMKOYXKLDFINW-GFCCVEGCSA-N 1 1 327.344 0.096 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000644299454 440513673 /nfs/dbraw/zinc/51/36/73/440513673.db2.gz LRUNIBVSRWMFIA-HOCLYGCPSA-N 1 1 349.456 0.927 20 30 ECEDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000639846952 440801335 /nfs/dbraw/zinc/80/13/35/440801335.db2.gz DOAKKBQYYHNHLS-FZKQIMNGSA-N 1 1 328.368 0.104 20 30 ECEDMO CC#CC[C@@H](CO)NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000645424108 440803844 /nfs/dbraw/zinc/80/38/44/440803844.db2.gz PVXZETHZDFEGMA-ROUUACIJSA-N 1 1 345.443 0.827 20 30 ECEDMO C=C(C)C[C@@H]1NC(=O)N(CC2([NH+]3CCOCC3)CCOCC2)C1=O ZINC000630983825 440996814 /nfs/dbraw/zinc/99/68/14/440996814.db2.gz DGKSSOCVFGDTFV-AWEZNQCLSA-N 1 1 337.420 0.754 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(Cc2c(C)cc(C)[nH+]c2C)c1=O ZINC000631005742 440999134 /nfs/dbraw/zinc/99/91/34/440999134.db2.gz MULFBBOXQQFSFF-UHFFFAOYSA-N 1 1 342.399 0.912 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001041736538 782085843 /nfs/dbraw/zinc/08/58/43/782085843.db2.gz TUNIGOZEIJFJST-HIFRSBDPSA-N 1 1 327.450 0.131 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC001041742291 782100365 /nfs/dbraw/zinc/10/03/65/782100365.db2.gz ZHXVWUJXHMNALU-GOSISDBHSA-N 1 1 346.431 0.427 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC001041744386 782107297 /nfs/dbraw/zinc/10/72/97/782107297.db2.gz BYIDPPOIYOXRSF-SFHVURJKSA-N 1 1 328.416 0.825 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC001041742292 782100306 /nfs/dbraw/zinc/10/03/06/782100306.db2.gz ZHXVWUJXHMNALU-SFHVURJKSA-N 1 1 346.431 0.427 20 30 ECEDMO Cc1nn(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(N)c1C#N ZINC000132343908 534855007 /nfs/dbraw/zinc/85/50/07/534855007.db2.gz OFYHWEVBGPWENT-CYBMUJFWSA-N 1 1 334.424 0.118 20 30 ECEDMO CN1CC[NH+](Cc2ccc(C(=O)N3CC(O)(CC#N)C3)cc2)CC1 ZINC000186847986 545898663 /nfs/dbraw/zinc/89/86/63/545898663.db2.gz BBYYQTDQKLAHNA-UHFFFAOYSA-N 1 1 328.416 0.535 20 30 ECEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ncn2nccc2c1=O ZINC000329255989 546017427 /nfs/dbraw/zinc/01/74/27/546017427.db2.gz XKLALHVIJYFEET-OLZOCXBDSA-N 1 1 332.408 0.968 20 30 ECEDMO CN1CCN(C)[C@@H](CNC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000329367327 546022409 /nfs/dbraw/zinc/02/24/09/546022409.db2.gz KVMNPLVZNXNVKH-HNNXBMFYSA-N 1 1 329.408 0.407 20 30 ECEDMO CC(C)Cc1nnc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)s1 ZINC000329485059 546025201 /nfs/dbraw/zinc/02/52/01/546025201.db2.gz SNPXQVIQFREXLN-LLVKDONJSA-N 1 1 326.470 1.308 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000329549516 546027220 /nfs/dbraw/zinc/02/72/20/546027220.db2.gz AAKIBAUVFXFGLK-CYBMUJFWSA-N 1 1 332.360 0.861 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000329549516 546027223 /nfs/dbraw/zinc/02/72/23/546027223.db2.gz AAKIBAUVFXFGLK-CYBMUJFWSA-N 1 1 332.360 0.861 20 30 ECEDMO C[C@@](O)(CNC(=O)c1cccc2c1OCCO2)C[NH+]1CCOCC1 ZINC000329796083 546034132 /nfs/dbraw/zinc/03/41/32/546034132.db2.gz DKQGJDSFAIWRTD-QGZVFWFLSA-N 1 1 336.388 0.846 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000619574443 546342857 /nfs/dbraw/zinc/34/28/57/546342857.db2.gz ZBGHJMXJQMBILY-UHFFFAOYSA-N 1 1 338.371 0.360 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000619709583 546360197 /nfs/dbraw/zinc/36/01/97/546360197.db2.gz DGZDYLKYRLHYDD-AWEZNQCLSA-N 1 1 330.454 0.167 20 30 ECEDMO CNC(=O)[C@H](C)C[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625206741 547042632 /nfs/dbraw/zinc/04/26/32/547042632.db2.gz HVMVJDMQGJGRIJ-CYBMUJFWSA-N 1 1 327.384 0.600 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000668728339 547737004 /nfs/dbraw/zinc/73/70/04/547737004.db2.gz OWZYFGILSMIUDO-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@@H]2CCN(C)C2)CC1 ZINC000668840335 547764735 /nfs/dbraw/zinc/76/47/35/547764735.db2.gz GGKOEPYYZAYKLE-MRXNPFEDSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640773 548365387 /nfs/dbraw/zinc/36/53/87/548365387.db2.gz ZOTCUDPORXKOIF-HNNXBMFYSA-N 1 1 334.464 0.472 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640773 548365389 /nfs/dbraw/zinc/36/53/89/548365389.db2.gz ZOTCUDPORXKOIF-HNNXBMFYSA-N 1 1 334.464 0.472 20 30 ECEDMO C=C(C)[C@H](CO)[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000677048306 548895160 /nfs/dbraw/zinc/89/51/60/548895160.db2.gz UUKJTLHZMXPMOV-HNNXBMFYSA-N 1 1 333.436 0.372 20 30 ECEDMO C=CCOCCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000679531364 549101368 /nfs/dbraw/zinc/10/13/68/549101368.db2.gz XHBLPHMUIOLRIN-UHFFFAOYSA-N 1 1 348.403 0.444 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)cn1 ZINC001078032202 782179564 /nfs/dbraw/zinc/17/95/64/782179564.db2.gz CKTOBCRFPMSBCC-RCCFBDPRSA-N 1 1 343.427 0.797 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2OCCc3ccsc32)C1 ZINC001078033589 782183622 /nfs/dbraw/zinc/18/36/22/782183622.db2.gz SCKUPBJYDKHJEF-KFWWJZLASA-N 1 1 334.441 0.937 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2OCCc3ccsc32)C1 ZINC001078033589 782183624 /nfs/dbraw/zinc/18/36/24/782183624.db2.gz SCKUPBJYDKHJEF-KFWWJZLASA-N 1 1 334.441 0.937 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C2)C1 ZINC001041779239 782185762 /nfs/dbraw/zinc/18/57/62/782185762.db2.gz OFLHWUTZMFWZSL-SFHVURJKSA-N 1 1 338.415 0.981 20 30 ECEDMO COCCON=C(C)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000748788467 579328851 /nfs/dbraw/zinc/32/88/51/579328851.db2.gz FSENIYDUTXVBDS-UHFFFAOYSA-N 1 1 341.433 0.668 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCc3ccc(O)cc3CC2)CC1 ZINC000748812092 579329010 /nfs/dbraw/zinc/32/90/10/579329010.db2.gz DVLHVLPHYXXZJX-UHFFFAOYSA-N 1 1 327.428 0.570 20 30 ECEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)cc1 ZINC000749683128 579341100 /nfs/dbraw/zinc/34/11/00/579341100.db2.gz VYXCEIYHRVMWKP-UHFFFAOYSA-N 1 1 330.388 0.317 20 30 ECEDMO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(S(N)(=O)=O)cc1 ZINC000753941017 579409536 /nfs/dbraw/zinc/40/95/36/579409536.db2.gz VYEMXQHPDOSHQX-KBPBESRZSA-N 1 1 335.433 0.918 20 30 ECEDMO N#Cc1c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1S(N)(=O)=O ZINC000754990608 579427307 /nfs/dbraw/zinc/42/73/07/579427307.db2.gz NYBSTQHUQMSYMJ-VXGBXAGGSA-N 1 1 336.417 0.481 20 30 ECEDMO C#CCOCCC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000755708307 579437675 /nfs/dbraw/zinc/43/76/75/579437675.db2.gz CHMATLJCIJBDGA-UHFFFAOYSA-N 1 1 345.443 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000732117813 578319847 /nfs/dbraw/zinc/31/98/47/578319847.db2.gz DONZBMKRJQLAQM-ZFWWWQNUSA-N 1 1 331.420 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000732117813 578319848 /nfs/dbraw/zinc/31/98/48/578319848.db2.gz DONZBMKRJQLAQM-ZFWWWQNUSA-N 1 1 331.420 0.681 20 30 ECEDMO N#C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCN1Cc1ccccc1 ZINC000733992932 578351242 /nfs/dbraw/zinc/35/12/42/578351242.db2.gz ORQCVRNALBGYIE-SFHVURJKSA-N 1 1 342.443 0.945 20 30 ECEDMO CCC(Cn1cncn1)=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000794470435 578589472 /nfs/dbraw/zinc/58/94/72/578589472.db2.gz GVVWSLYJCHDGJY-UHFFFAOYSA-N 1 1 339.469 0.231 20 30 ECEDMO O=C1Nc2cc3c(cc2C1=NNCCC[NH+]1CCOCC1)OCCO3 ZINC000799489970 578666209 /nfs/dbraw/zinc/66/62/09/578666209.db2.gz JSWVQPLZKMKVJC-UHFFFAOYSA-N 1 1 346.387 0.426 20 30 ECEDMO N#Cc1ccc(C2(C(=O)NC3CC[NH+](CC(N)=O)CC3)CC2)cc1 ZINC000780297004 578691019 /nfs/dbraw/zinc/69/10/19/578691019.db2.gz WBTFSFFSUFIRHZ-UHFFFAOYSA-N 1 1 326.400 0.656 20 30 ECEDMO CC(=O)N1CC[NH+](Cc2ccccc2NCC(=O)NCCC#N)CC1 ZINC000780298301 578691053 /nfs/dbraw/zinc/69/10/53/578691053.db2.gz HJYOPPGCKWEJDZ-UHFFFAOYSA-N 1 1 343.431 0.792 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000783307496 578741147 /nfs/dbraw/zinc/74/11/47/578741147.db2.gz LGOZDEWBFVXZME-KGLIPLIRSA-N 1 1 331.482 0.959 20 30 ECEDMO C[C@H]1CN(Cn2cc3c(c(C#N)c2=O)CCC3)CC[N@H+]1CC(C)(C)O ZINC000766633936 579090361 /nfs/dbraw/zinc/09/03/61/579090361.db2.gz IXQKIVJEUIEFNN-AWEZNQCLSA-N 1 1 344.459 0.943 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000771658398 579192965 /nfs/dbraw/zinc/19/29/65/579192965.db2.gz SISNSUVTRFPXJB-YOEHRIQHSA-N 1 1 330.432 0.734 20 30 ECEDMO C#CCN1CCC(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000772132450 579200752 /nfs/dbraw/zinc/20/07/52/579200752.db2.gz CGOUFNNIWNWGBC-UHFFFAOYSA-N 1 1 347.459 0.618 20 30 ECEDMO C#C[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H]1CCCO1 ZINC000772886600 579216384 /nfs/dbraw/zinc/21/63/84/579216384.db2.gz RALRLIPNGHRTSL-CVEARBPZSA-N 1 1 330.432 0.929 20 30 ECEDMO C#C[C@H](NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000773366778 579225984 /nfs/dbraw/zinc/22/59/84/579225984.db2.gz HLXDETDOGZZJAP-IKGGRYGDSA-N 1 1 336.480 0.740 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C)[C@H]1CCCO1 ZINC000773553856 579229748 /nfs/dbraw/zinc/22/97/48/579229748.db2.gz AWVSPTAREQOPCX-SOUVJXGZSA-N 1 1 337.420 0.446 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C)[C@H]1CCCO1 ZINC000773553856 579229750 /nfs/dbraw/zinc/22/97/50/579229750.db2.gz AWVSPTAREQOPCX-SOUVJXGZSA-N 1 1 337.420 0.446 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000774165453 579241505 /nfs/dbraw/zinc/24/15/05/579241505.db2.gz OHPXUGVIAQNLLN-QLFBSQMISA-N 1 1 339.461 0.445 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)NCCOc1ccc2c(c1)OCO2)[C@@H]1CCCO1 ZINC000775790853 579271172 /nfs/dbraw/zinc/27/11/72/579271172.db2.gz JQQANLLCSIEXOD-GJZGRUSLSA-N 1 1 346.383 0.681 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1nc(CC(=O)OC)cs1)[C@H]1CCCO1 ZINC000775792194 579271359 /nfs/dbraw/zinc/27/13/59/579271359.db2.gz YKDPDJQUIGWPQB-VXGBXAGGSA-N 1 1 337.401 0.568 20 30 ECEDMO C[C@H]1CC[N@H+](Cc2ccccc2)CC1=NNC(=S)NCC(N)=O ZINC000776186574 579277348 /nfs/dbraw/zinc/27/73/48/579277348.db2.gz OTVMBEAUMJUYRS-LBPRGKRZSA-N 1 1 333.461 0.834 20 30 ECEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC(=S)NCC(N)=O ZINC000776186574 579277349 /nfs/dbraw/zinc/27/73/49/579277349.db2.gz OTVMBEAUMJUYRS-LBPRGKRZSA-N 1 1 333.461 0.834 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cnn(C)c1C ZINC000778537994 579309743 /nfs/dbraw/zinc/30/97/43/579309743.db2.gz DPZLOQFAXFMBHC-UHFFFAOYSA-N 1 1 338.481 0.639 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000764510788 579577796 /nfs/dbraw/zinc/57/77/96/579577796.db2.gz YQXMBOUOJKRSDC-VLUKHXRESA-N 1 1 334.420 0.894 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326601 579620318 /nfs/dbraw/zinc/62/03/18/579620318.db2.gz PBNIBABFWDJOBU-UHFFFAOYSA-N 1 1 338.452 0.220 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326601 579620319 /nfs/dbraw/zinc/62/03/19/579620319.db2.gz PBNIBABFWDJOBU-UHFFFAOYSA-N 1 1 338.452 0.220 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[N@H+]1CCC[C@H](C)C1 ZINC000746353253 579836598 /nfs/dbraw/zinc/83/65/98/579836598.db2.gz AJCBLFQZRODSET-QWHCGFSZSA-N 1 1 332.408 0.582 20 30 ECEDMO C#CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C(=O)OC ZINC000837937237 588965980 /nfs/dbraw/zinc/96/59/80/588965980.db2.gz CXYUPTUEKADTME-HOTGVXAUSA-N 1 1 329.400 0.975 20 30 ECEDMO C=CC[C@@H]1CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000890558900 586053994 /nfs/dbraw/zinc/05/39/94/586053994.db2.gz WFLDFSVPLDLICC-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO Cc1oc(C#N)cc1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896232824 586229608 /nfs/dbraw/zinc/22/96/08/586229608.db2.gz NLFVFRUGIPVFAG-UHFFFAOYSA-N 1 1 345.403 0.585 20 30 ECEDMO C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896550984 586253634 /nfs/dbraw/zinc/25/36/34/586253634.db2.gz BJAGDRBQPNHNEJ-RHSMWYFYSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896550984 586253639 /nfs/dbraw/zinc/25/36/39/586253639.db2.gz BJAGDRBQPNHNEJ-RHSMWYFYSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896550984 586253641 /nfs/dbraw/zinc/25/36/41/586253641.db2.gz BJAGDRBQPNHNEJ-RHSMWYFYSA-N 1 1 330.432 0.882 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)nc(COCC)n2)CC1 ZINC000892515049 586270863 /nfs/dbraw/zinc/27/08/63/586270863.db2.gz BICKGSZXDRGYQE-UHFFFAOYSA-N 1 1 345.447 0.583 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)nc(COCC)n2)CC1 ZINC000892515049 586270865 /nfs/dbraw/zinc/27/08/65/586270865.db2.gz BICKGSZXDRGYQE-UHFFFAOYSA-N 1 1 345.447 0.583 20 30 ECEDMO N#CC1(c2ccc(C[N@@H+]3CCN4[C@H](CNS4(=O)=O)C3)cc2)CC1 ZINC000897275555 586292325 /nfs/dbraw/zinc/29/23/25/586292325.db2.gz OGEZHAQJRPNJCG-OAHLLOKOSA-N 1 1 332.429 0.576 20 30 ECEDMO N#CC1(c2ccc(C[N@H+]3CCN4[C@H](CNS4(=O)=O)C3)cc2)CC1 ZINC000897275555 586292326 /nfs/dbraw/zinc/29/23/26/586292326.db2.gz OGEZHAQJRPNJCG-OAHLLOKOSA-N 1 1 332.429 0.576 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@](C)(C#N)C3)C2)CC1 ZINC000893022430 586306253 /nfs/dbraw/zinc/30/62/53/586306253.db2.gz LNGJRNLLPBRBAT-WMLDXEAASA-N 1 1 335.452 0.479 20 30 ECEDMO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCO[C@](C)(C#N)C3)C2)CC1 ZINC000893022430 586306256 /nfs/dbraw/zinc/30/62/56/586306256.db2.gz LNGJRNLLPBRBAT-WMLDXEAASA-N 1 1 335.452 0.479 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000897551509 586343461 /nfs/dbraw/zinc/34/34/61/586343461.db2.gz ZKWVJFJWSPXNSX-LSDHHAIUSA-N 1 1 341.477 0.550 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)c2[nH]c3ccccc3c2C#N)CC1 ZINC000897834580 586374562 /nfs/dbraw/zinc/37/45/62/586374562.db2.gz JQSKHJYVSFJRCO-UHFFFAOYSA-N 1 1 339.399 0.933 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+](C)C1 ZINC000840505455 586390396 /nfs/dbraw/zinc/39/03/96/586390396.db2.gz XBSFKAINLBHECJ-HNNXBMFYSA-N 1 1 345.399 0.695 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)NCC#C[C@H]2CCCCO2)CC1(C)C ZINC000894599054 586403909 /nfs/dbraw/zinc/40/39/09/586403909.db2.gz DQRIIRCSJSFZKM-MRXNPFEDSA-N 1 1 336.480 0.884 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000900029444 586519592 /nfs/dbraw/zinc/51/95/92/586519592.db2.gz YKRWXPSCBHKZNB-ZHALLVOQSA-N 1 1 342.443 0.851 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000900080759 586522332 /nfs/dbraw/zinc/52/23/32/586522332.db2.gz UAKOEMPAYPCCBN-PBHICJAKSA-N 1 1 329.404 0.057 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000900318529 586536413 /nfs/dbraw/zinc/53/64/13/586536413.db2.gz YFBPGSNWDJJEFV-RHSMWYFYSA-N 1 1 329.404 0.057 20 30 ECEDMO CC(C)(C)OC(=O)N[C@@H]1CC(N=NC2=[NH+]CCN2)C12CCOCC2 ZINC000901252676 586703877 /nfs/dbraw/zinc/70/38/77/586703877.db2.gz LNBBLEFFDRUYBV-LLVKDONJSA-N 1 1 337.424 0.985 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCSC[C@H]2C#N)C1 ZINC000901323284 586708271 /nfs/dbraw/zinc/70/82/71/586708271.db2.gz QNLJZZGHBYQNHQ-QWHCGFSZSA-N 1 1 325.434 0.729 20 30 ECEDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCSC[C@H]2C#N)C1 ZINC000901323284 586708273 /nfs/dbraw/zinc/70/82/73/586708273.db2.gz QNLJZZGHBYQNHQ-QWHCGFSZSA-N 1 1 325.434 0.729 20 30 ECEDMO N#Cc1ccc([C@H](NC[C@H]2CC[N@H+]2C2CCOCC2)C(N)=O)cc1 ZINC000901629074 586712957 /nfs/dbraw/zinc/71/29/57/586712957.db2.gz BIJIDNAKNCGGMH-SJORKVTESA-N 1 1 328.416 0.928 20 30 ECEDMO N#Cc1ccc([C@H]([NH2+]C[C@H]2CCN2C2CCOCC2)C(N)=O)cc1 ZINC000901629074 586712958 /nfs/dbraw/zinc/71/29/58/586712958.db2.gz BIJIDNAKNCGGMH-SJORKVTESA-N 1 1 328.416 0.928 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)nc1 ZINC000903504599 586778574 /nfs/dbraw/zinc/77/85/74/586778574.db2.gz UHSBVDWHULAKEN-CQSZACIVSA-N 1 1 329.385 0.683 20 30 ECEDMO C#CCOc1ccccc1CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000838472975 586810493 /nfs/dbraw/zinc/81/04/93/586810493.db2.gz CKUVVMHBLAVVKV-OAHLLOKOSA-N 1 1 331.416 0.907 20 30 ECEDMO C#CCOc1ccccc1CNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000838472975 586810496 /nfs/dbraw/zinc/81/04/96/586810496.db2.gz CKUVVMHBLAVVKV-OAHLLOKOSA-N 1 1 331.416 0.907 20 30 ECEDMO N#Cc1ccc(SCC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000103186877 586821543 /nfs/dbraw/zinc/82/15/43/586821543.db2.gz HSHFHEOTGHSPMU-UHFFFAOYSA-N 1 1 332.429 0.716 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000839170639 586839891 /nfs/dbraw/zinc/83/98/91/586839891.db2.gz QOIVRZQQAZAZQG-UXLLHSPISA-N 1 1 331.416 0.915 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000839170639 586839892 /nfs/dbraw/zinc/83/98/92/586839892.db2.gz QOIVRZQQAZAZQG-UXLLHSPISA-N 1 1 331.416 0.915 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1C ZINC000839170595 586840004 /nfs/dbraw/zinc/84/00/04/586840004.db2.gz OQFHYMZUXJLYTP-WBVHZDCISA-N 1 1 331.416 0.835 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1C ZINC000839170595 586840006 /nfs/dbraw/zinc/84/00/06/586840006.db2.gz OQFHYMZUXJLYTP-WBVHZDCISA-N 1 1 331.416 0.835 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000905560811 586901638 /nfs/dbraw/zinc/90/16/38/586901638.db2.gz BVRSMHVJYAVNOZ-UHFFFAOYSA-N 1 1 342.447 0.095 20 30 ECEDMO C[C@H](C#N)OCC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000801922114 587005786 /nfs/dbraw/zinc/00/57/86/587005786.db2.gz FRZXEPBPJISTKV-OAHLLOKOSA-N 1 1 346.435 0.364 20 30 ECEDMO C[C@@H](C#N)OCC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000801922112 587006135 /nfs/dbraw/zinc/00/61/35/587006135.db2.gz FRZXEPBPJISTKV-HNNXBMFYSA-N 1 1 346.435 0.364 20 30 ECEDMO CC[C@@](C)(C#N)C(=O)OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000803782429 587069059 /nfs/dbraw/zinc/06/90/59/587069059.db2.gz LZEXJUGGTJORCN-PBHICJAKSA-N 1 1 339.436 0.942 20 30 ECEDMO COc1ccc(CNC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1C#N ZINC000807004476 587114640 /nfs/dbraw/zinc/11/46/40/587114640.db2.gz NDQZQYSENCGGAU-ZDUSSCGKSA-N 1 1 332.404 0.775 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCCO1 ZINC000808836054 587162029 /nfs/dbraw/zinc/16/20/29/587162029.db2.gz YGJGECHDXKSPHL-YESZJQIVSA-N 1 1 349.475 0.768 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)[C@H]1CCCO1 ZINC000809310040 587174716 /nfs/dbraw/zinc/17/47/16/587174716.db2.gz RYAIEEJTIUKWLQ-QKPAOTATSA-N 1 1 335.448 0.472 20 30 ECEDMO C=CCNC(=O)NC(=O)COC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811447408 587219680 /nfs/dbraw/zinc/21/96/80/587219680.db2.gz KMEWJEKEEQGLRJ-OAHLLOKOSA-N 1 1 329.372 0.754 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@H]1CCCO1 ZINC000815574749 587293913 /nfs/dbraw/zinc/29/39/13/587293913.db2.gz BONNMZXQKOEDKT-ZIAGYGMSSA-N 1 1 326.356 0.878 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000815861515 587300596 /nfs/dbraw/zinc/30/05/96/587300596.db2.gz MFLTUTTVOPSWKY-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000815861515 587300597 /nfs/dbraw/zinc/30/05/97/587300597.db2.gz MFLTUTTVOPSWKY-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO C[N@@H+](C[C@H](O)CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1CC1 ZINC000819230599 587473166 /nfs/dbraw/zinc/47/31/66/587473166.db2.gz XBUSHQVLZYXTJI-CFVMTHIKSA-N 1 1 338.452 0.790 20 30 ECEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000819744043 587488321 /nfs/dbraw/zinc/48/83/21/587488321.db2.gz UOGYXSHUYMLUCS-OAHLLOKOSA-N 1 1 342.403 0.712 20 30 ECEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000819744043 587488323 /nfs/dbraw/zinc/48/83/23/587488323.db2.gz UOGYXSHUYMLUCS-OAHLLOKOSA-N 1 1 342.403 0.712 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)C2(C#N)CCSCC2)CC[N@H+](C)C1 ZINC000822630717 587670708 /nfs/dbraw/zinc/67/07/08/587670708.db2.gz IEWOJORFLFTIBO-LBPRGKRZSA-N 1 1 325.434 0.587 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)C2(C#N)CCSCC2)CC[N@@H+](C)C1 ZINC000822630717 587670709 /nfs/dbraw/zinc/67/07/09/587670709.db2.gz IEWOJORFLFTIBO-LBPRGKRZSA-N 1 1 325.434 0.587 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000823083346 587701438 /nfs/dbraw/zinc/70/14/38/587701438.db2.gz IPBOQXWXPJGEIC-BZUAXINKSA-N 1 1 335.448 0.703 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000823455280 587721541 /nfs/dbraw/zinc/72/15/41/587721541.db2.gz BORKCBHXDGLCKI-HUUCEWRRSA-N 1 1 336.436 0.132 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000823455280 587721543 /nfs/dbraw/zinc/72/15/43/587721543.db2.gz BORKCBHXDGLCKI-HUUCEWRRSA-N 1 1 336.436 0.132 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823846136 587745626 /nfs/dbraw/zinc/74/56/26/587745626.db2.gz ZMUPORJEFUIQMD-UHFFFAOYSA-N 1 1 339.403 0.446 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000826866540 588087580 /nfs/dbraw/zinc/08/75/80/588087580.db2.gz ACLQXOICFHLGKD-AWEZNQCLSA-N 1 1 348.369 0.652 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C#Cc2cccs2)CC1 ZINC000827217976 588104957 /nfs/dbraw/zinc/10/49/57/588104957.db2.gz JOFHRHDUSQLUTK-OAHLLOKOSA-N 1 1 331.441 0.865 20 30 ECEDMO C#CCCN(CCOC)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1C ZINC000828243794 588167458 /nfs/dbraw/zinc/16/74/58/588167458.db2.gz XMSXKCIZCRSAQX-CABCVRRESA-N 1 1 333.436 0.827 20 30 ECEDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 ZINC000829351149 588322297 /nfs/dbraw/zinc/32/22/97/588322297.db2.gz ITFKQOGLWIWFRR-HNNXBMFYSA-N 1 1 344.415 0.784 20 30 ECEDMO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000844968170 589127048 /nfs/dbraw/zinc/12/70/48/589127048.db2.gz NJVURXLXVQBYEO-DLBZAZTESA-N 1 1 345.447 0.479 20 30 ECEDMO C#C[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000847032752 589233119 /nfs/dbraw/zinc/23/31/19/589233119.db2.gz UUNRACFHLUUUII-CQSZACIVSA-N 1 1 349.456 0.338 20 30 ECEDMO C#Cc1cc(F)c(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000847579260 589257423 /nfs/dbraw/zinc/25/74/23/589257423.db2.gz HOIUXPVHBXOROZ-NWDGAFQWSA-N 1 1 349.337 0.162 20 30 ECEDMO O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000848138426 589279849 /nfs/dbraw/zinc/27/98/49/589279849.db2.gz MQWHCKPDQVWLQN-HUUCEWRRSA-N 1 1 332.404 0.790 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000850709949 589381286 /nfs/dbraw/zinc/38/12/86/589381286.db2.gz NGLIFHZEULDDSD-SFHVURJKSA-N 1 1 335.448 0.429 20 30 ECEDMO C=CC[N@@H+](CC(=O)N1CCN(C(=O)OCC)CC1)[C@H](C)COC ZINC000852357661 589492423 /nfs/dbraw/zinc/49/24/23/589492423.db2.gz GITFDFAREYMJJP-CQSZACIVSA-N 1 1 327.425 0.810 20 30 ECEDMO C=CC[N@H+](CC(=O)N1CCN(C(=O)OCC)CC1)[C@H](C)COC ZINC000852357661 589492425 /nfs/dbraw/zinc/49/24/25/589492425.db2.gz GITFDFAREYMJJP-CQSZACIVSA-N 1 1 327.425 0.810 20 30 ECEDMO N#Cc1sccc1N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000855334484 589626658 /nfs/dbraw/zinc/62/66/58/589626658.db2.gz OBLHLINALIAFAJ-UHFFFAOYSA-N 1 1 334.445 0.991 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000856909070 589679150 /nfs/dbraw/zinc/67/91/50/589679150.db2.gz YCFIIORVTQYTHU-INIZCTEOSA-N 1 1 349.456 0.910 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000856909070 589679151 /nfs/dbraw/zinc/67/91/51/589679151.db2.gz YCFIIORVTQYTHU-INIZCTEOSA-N 1 1 349.456 0.910 20 30 ECEDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000859321954 589821693 /nfs/dbraw/zinc/82/16/93/589821693.db2.gz YRFODAMSDZRPQG-ZIAGYGMSSA-N 1 1 325.409 0.830 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC3(CCC3)C2)c1=O ZINC000121895600 589858744 /nfs/dbraw/zinc/85/87/44/589858744.db2.gz GKIDJASWTCMTEW-UHFFFAOYSA-N 1 1 332.404 0.377 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC3(CCC3)C2)c1=O ZINC000121895600 589858745 /nfs/dbraw/zinc/85/87/45/589858745.db2.gz GKIDJASWTCMTEW-UHFFFAOYSA-N 1 1 332.404 0.377 20 30 ECEDMO CCN1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1=O ZINC000867977853 589866312 /nfs/dbraw/zinc/86/63/12/589866312.db2.gz QQNCUVDNVUIAOD-QGZVFWFLSA-N 1 1 326.400 0.826 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCc1c(Br)cnn1C ZINC000868654191 589919322 /nfs/dbraw/zinc/91/93/22/589919322.db2.gz XSXTWEXXLNEULP-UHFFFAOYSA-N 1 1 342.241 0.937 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3C[C@@H]4COC(=O)[C@@H]4C3)C2=O)cc1 ZINC000864350104 590076001 /nfs/dbraw/zinc/07/60/01/590076001.db2.gz CZADBGGSFISBNO-MRVWCRGKSA-N 1 1 325.324 0.295 20 30 ECEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](O)c1c[nH]cn1 ZINC000865040548 590121487 /nfs/dbraw/zinc/12/14/87/590121487.db2.gz SDCVDERYZLPZDP-INIZCTEOSA-N 1 1 327.388 0.905 20 30 ECEDMO C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCCNC(=O)C1 ZINC000873661062 590194582 /nfs/dbraw/zinc/19/45/82/590194582.db2.gz AKAPWCNQHNLJED-KGLIPLIRSA-N 1 1 346.435 0.326 20 30 ECEDMO COc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1C#N ZINC000873891727 590208827 /nfs/dbraw/zinc/20/88/27/590208827.db2.gz PNALLWXSDATVGF-SMDDNHRTSA-N 1 1 328.372 0.668 20 30 ECEDMO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1C#N ZINC000873891624 590209018 /nfs/dbraw/zinc/20/90/18/590209018.db2.gz PNALLWXSDATVGF-BXUZGUMPSA-N 1 1 328.372 0.668 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC)c(C#N)c1 ZINC000873896092 590209593 /nfs/dbraw/zinc/20/95/93/590209593.db2.gz NMUZXIHWZVQJJC-UHFFFAOYSA-N 1 1 328.372 0.577 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1 ZINC000874264449 590229262 /nfs/dbraw/zinc/22/92/62/590229262.db2.gz VRXHUYNOQUEAOV-NWDGAFQWSA-N 1 1 331.338 0.469 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000874383133 590236938 /nfs/dbraw/zinc/23/69/38/590236938.db2.gz OXMKXVFARZURCQ-KRWDZBQOSA-N 1 1 346.475 0.287 20 30 ECEDMO COCCOCC[N@@H+](C)CCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000874460136 590241819 /nfs/dbraw/zinc/24/18/19/590241819.db2.gz DHORHTJOZXWNPQ-MRXNPFEDSA-N 1 1 338.452 0.170 20 30 ECEDMO CCCCCCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000875056829 590266013 /nfs/dbraw/zinc/26/60/13/590266013.db2.gz INRMEGCPDYYGQR-UHFFFAOYSA-N 1 1 340.468 0.353 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3C[C@H](CO)[C@H](CO)C3)C2=O)cc1 ZINC000879696585 590335613 /nfs/dbraw/zinc/33/56/13/590335613.db2.gz RGAAQSJHQRBQQX-UXLLHSPISA-N 1 1 329.400 0.586 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)C1=O ZINC000879974553 590357619 /nfs/dbraw/zinc/35/76/19/590357619.db2.gz HZQXEWXQFBNFPI-NCOADZHNSA-N 1 1 349.475 0.905 20 30 ECEDMO N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC([N@@H+]3CC[C@@H](O)C3)C1)C2 ZINC000876278568 590370999 /nfs/dbraw/zinc/37/09/99/590370999.db2.gz FVBHNDLPORCFLY-NVXWUHKLSA-N 1 1 326.400 0.486 20 30 ECEDMO N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC([N@H+]3CC[C@@H](O)C3)C1)C2 ZINC000876278568 590371001 /nfs/dbraw/zinc/37/10/01/590371001.db2.gz FVBHNDLPORCFLY-NVXWUHKLSA-N 1 1 326.400 0.486 20 30 ECEDMO COC(=O)[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880563985 590405325 /nfs/dbraw/zinc/40/53/25/590405325.db2.gz YHXWVTKAJNNQJO-RDTXWAMCSA-N 1 1 345.399 0.932 20 30 ECEDMO COC(=O)[C@@]1(O)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880563985 590405327 /nfs/dbraw/zinc/40/53/27/590405327.db2.gz YHXWVTKAJNNQJO-RDTXWAMCSA-N 1 1 345.399 0.932 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000877892969 590485170 /nfs/dbraw/zinc/48/51/70/590485170.db2.gz IRKKCYOATGOMAN-INIZCTEOSA-N 1 1 337.464 0.634 20 30 ECEDMO C#CCCCCC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000877931137 590487178 /nfs/dbraw/zinc/48/71/78/590487178.db2.gz YZZMDOPIQZPYHG-UHFFFAOYSA-N 1 1 329.466 0.375 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)N(CC)CC(F)(F)F)CC1 ZINC000878019673 590492830 /nfs/dbraw/zinc/49/28/30/590492830.db2.gz YPUMHGXOFUUQIN-UHFFFAOYSA-N 1 1 333.354 0.859 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@H]2CCC(C)(C)CO2)CC1 ZINC000878315212 590515713 /nfs/dbraw/zinc/51/57/13/590515713.db2.gz JCUCJTDEGAYJLC-CQSZACIVSA-N 1 1 329.466 0.277 20 30 ECEDMO C[N@@H+](C[C@H](O)CC1(O)CCOCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000878800906 590543186 /nfs/dbraw/zinc/54/31/86/590543186.db2.gz IZSOSSSWFMNRTJ-SJORKVTESA-N 1 1 334.416 0.816 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCc1cc(C(=O)OC)c(C)n1C ZINC000883668204 590648672 /nfs/dbraw/zinc/64/86/72/590648672.db2.gz PVZNPEKKGQEAAF-UHFFFAOYSA-N 1 1 334.420 0.874 20 30 ECEDMO C=C(C)CONC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883763558 590663064 /nfs/dbraw/zinc/66/30/64/590663064.db2.gz BYLKXEKWDDQCAK-HNNXBMFYSA-N 1 1 326.441 0.590 20 30 ECEDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000883896299 590679421 /nfs/dbraw/zinc/67/94/21/590679421.db2.gz MWVHLPUULRYWIL-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO C#C[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000883912261 590682748 /nfs/dbraw/zinc/68/27/48/590682748.db2.gz LUAOLOLQWPVQHR-MSOLQXFVSA-N 1 1 348.491 0.838 20 30 ECEDMO C[C@@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000885318134 590716076 /nfs/dbraw/zinc/71/60/76/590716076.db2.gz HTELHKNDELNROP-SSZWKKLZSA-N 1 1 339.461 0.644 20 30 ECEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CCN(S(C)(=O)=O)CC1 ZINC000886038764 590787576 /nfs/dbraw/zinc/78/75/76/590787576.db2.gz AALVFQHXUXCRQY-CQSZACIVSA-N 1 1 329.466 0.787 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886174461 590800292 /nfs/dbraw/zinc/80/02/92/590800292.db2.gz AYTVVBCUFHZMKN-BZUAXINKSA-N 1 1 326.437 0.777 20 30 ECEDMO C[C@@]1(C#N)CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000887671094 590990322 /nfs/dbraw/zinc/99/03/22/590990322.db2.gz NSRWFCJCTUIPFD-LJQANCHMSA-N 1 1 342.443 0.945 20 30 ECEDMO N#Cc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)nc1 ZINC000889238950 591046471 /nfs/dbraw/zinc/04/64/71/591046471.db2.gz CRPAVTMROPMYRF-UHFFFAOYSA-N 1 1 345.403 0.956 20 30 ECEDMO O=C(c1cccc(C#CCO)c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889743570 591076554 /nfs/dbraw/zinc/07/65/54/591076554.db2.gz HDTQUBXOAGVLJV-ROUUACIJSA-N 1 1 328.412 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000890360834 591150692 /nfs/dbraw/zinc/15/06/92/591150692.db2.gz CXKBYYDTSCFYHL-HOTGVXAUSA-N 1 1 332.448 0.738 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000890360834 591150696 /nfs/dbraw/zinc/15/06/96/591150696.db2.gz CXKBYYDTSCFYHL-HOTGVXAUSA-N 1 1 332.448 0.738 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@]3(CC(C(=O)OC)=NO3)C2)C1 ZINC000890361517 591151030 /nfs/dbraw/zinc/15/10/30/591151030.db2.gz SPQALSZQIWBFDJ-GUYCJALGSA-N 1 1 348.403 0.187 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@]3(CC(C(=O)OC)=NO3)C2)C1 ZINC000890361517 591151033 /nfs/dbraw/zinc/15/10/33/591151033.db2.gz SPQALSZQIWBFDJ-GUYCJALGSA-N 1 1 348.403 0.187 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000890369464 591153247 /nfs/dbraw/zinc/15/32/47/591153247.db2.gz WRIFFWJZQSEJTA-GFCCVEGCSA-N 1 1 349.464 0.050 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000890369464 591153251 /nfs/dbraw/zinc/15/32/51/591153251.db2.gz WRIFFWJZQSEJTA-GFCCVEGCSA-N 1 1 349.464 0.050 20 30 ECEDMO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC[N@@H+]1C ZINC000890432669 591158524 /nfs/dbraw/zinc/15/85/24/591158524.db2.gz QQHWMJMVFZGGBX-CQSZACIVSA-N 1 1 329.404 0.885 20 30 ECEDMO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC[N@H+]1C ZINC000890432669 591158527 /nfs/dbraw/zinc/15/85/27/591158527.db2.gz QQHWMJMVFZGGBX-CQSZACIVSA-N 1 1 329.404 0.885 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)CC[C@@H]2C1 ZINC000946598112 611359326 /nfs/dbraw/zinc/35/93/26/611359326.db2.gz YAOWEKMOEJVVPX-OKILXGFUSA-N 1 1 330.436 0.845 20 30 ECEDMO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000922824970 611361402 /nfs/dbraw/zinc/36/14/02/611361402.db2.gz XMEPJUBABLPJCD-LLVKDONJSA-N 1 1 331.821 0.847 20 30 ECEDMO N#C[C@@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000922837536 611362248 /nfs/dbraw/zinc/36/22/48/611362248.db2.gz AHUQXHDOMGKEEQ-HNNXBMFYSA-N 1 1 336.436 0.813 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C ZINC000947998763 611375710 /nfs/dbraw/zinc/37/57/10/611375710.db2.gz OQPJZZYDWZBUKP-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC3(CC2)C[C@@H](O)CCO3)C1 ZINC000924037864 611383406 /nfs/dbraw/zinc/38/34/06/611383406.db2.gz WBVRQDIWIYWUCD-HOTGVXAUSA-N 1 1 335.448 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC3(CC2)C[C@@H](O)CCO3)C1 ZINC000924037864 611383409 /nfs/dbraw/zinc/38/34/09/611383409.db2.gz WBVRQDIWIYWUCD-HOTGVXAUSA-N 1 1 335.448 0.800 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3CC)CC[C@@H]2C1 ZINC000946653732 611391341 /nfs/dbraw/zinc/39/13/41/611391341.db2.gz DEHFLRKWYRMDPS-FGTMMUONSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1=O ZINC000925278249 611464592 /nfs/dbraw/zinc/46/45/92/611464592.db2.gz QQWNKJSTZZLJQN-UONOGXRCSA-N 1 1 346.456 0.980 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000930822514 611468925 /nfs/dbraw/zinc/46/89/25/611468925.db2.gz XIUHDRNGQWMGAE-AWEZNQCLSA-N 1 1 336.436 0.412 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3cnnn3C)CC2)C1 ZINC000949051441 611469724 /nfs/dbraw/zinc/46/97/24/611469724.db2.gz HIUGUOWIJSDSMG-ZDUSSCGKSA-N 1 1 332.408 0.168 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC[N@H+]1C ZINC000925333337 611470809 /nfs/dbraw/zinc/47/08/09/611470809.db2.gz VMZCYIAPRCXIEL-HIFRSBDPSA-N 1 1 328.420 0.877 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)n1 ZINC000925336405 611471988 /nfs/dbraw/zinc/47/19/88/611471988.db2.gz DFNCWOWBWOBWFK-GOEBONIOSA-N 1 1 333.436 0.767 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000946807263 611496941 /nfs/dbraw/zinc/49/69/41/611496941.db2.gz WMMSBIMUSWPHNC-UHFFFAOYSA-N 1 1 340.387 0.812 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000948283633 611501205 /nfs/dbraw/zinc/50/12/05/611501205.db2.gz XRTUQQDSCVLVDJ-CQSZACIVSA-N 1 1 331.420 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2nocc2C)CC1 ZINC000948370689 611550969 /nfs/dbraw/zinc/55/09/69/611550969.db2.gz JVEVZJOZDUSCGN-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2nocc2C)CC1 ZINC000948370689 611550972 /nfs/dbraw/zinc/55/09/72/611550972.db2.gz JVEVZJOZDUSCGN-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000931594949 611552314 /nfs/dbraw/zinc/55/23/14/611552314.db2.gz AJLLFAHCBXOZCY-UHFFFAOYSA-N 1 1 332.379 0.866 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000948381264 611556964 /nfs/dbraw/zinc/55/69/64/611556964.db2.gz JOERWZMALBDAIJ-CQSZACIVSA-N 1 1 348.451 0.656 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C ZINC000947567009 611599684 /nfs/dbraw/zinc/59/96/84/611599684.db2.gz ADABQWNMDFNUOZ-KGLIPLIRSA-N 1 1 339.403 0.663 20 30 ECEDMO COc1ccc(-n2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)nn2)cc1 ZINC000932177643 611606207 /nfs/dbraw/zinc/60/62/07/611606207.db2.gz ATLWLMNPUZVNCB-UHFFFAOYSA-N 1 1 340.387 0.994 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC#Cc1ccccc1 ZINC000947625459 611623906 /nfs/dbraw/zinc/62/39/06/611623906.db2.gz XCSMZJXXSHUPFV-GDBMZVCRSA-N 1 1 338.415 0.845 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC#Cc1ccccc1 ZINC000947625462 611623976 /nfs/dbraw/zinc/62/39/76/611623976.db2.gz XCSMZJXXSHUPFV-ZBFHGGJFSA-N 1 1 338.415 0.845 20 30 ECEDMO COc1ncc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1C#N ZINC000932509132 611635859 /nfs/dbraw/zinc/63/58/59/611635859.db2.gz XNSXGJRAGJODBZ-UONOGXRCSA-N 1 1 331.376 0.947 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000947035969 611640512 /nfs/dbraw/zinc/64/05/12/611640512.db2.gz JVZDIDIXCPMASP-VXGBXAGGSA-N 1 1 345.432 0.776 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cc3cncn3C)CC2)C1 ZINC000949508767 608720760 /nfs/dbraw/zinc/72/07/60/608720760.db2.gz CCRXCHKTGRTFSI-UHFFFAOYSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2n[nH]cc2F)CC1 ZINC000947229483 608791653 /nfs/dbraw/zinc/79/16/53/608791653.db2.gz CIENYZBOCPWGQF-AWEZNQCLSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2n[nH]cc2F)CC1 ZINC000947229483 608791654 /nfs/dbraw/zinc/79/16/54/608791654.db2.gz CIENYZBOCPWGQF-AWEZNQCLSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC2(F)F)CC1 ZINC000947229608 608792793 /nfs/dbraw/zinc/79/27/93/608792793.db2.gz FVFOFYLGTRIBMH-KBPBESRZSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC2(F)F)CC1 ZINC000947229608 608792797 /nfs/dbraw/zinc/79/27/97/608792797.db2.gz FVFOFYLGTRIBMH-KBPBESRZSA-N 1 1 339.386 0.846 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC000936910726 608865167 /nfs/dbraw/zinc/86/51/67/608865167.db2.gz KMAMZCWBQMNNDC-DZGCQCFKSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C[C@@H]1C ZINC000947547285 608884379 /nfs/dbraw/zinc/88/43/79/608884379.db2.gz QCWQXZJJOKBRMA-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937066099 608947304 /nfs/dbraw/zinc/94/73/04/608947304.db2.gz SYOLSWGBHCKINX-KGLIPLIRSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000937206683 609043282 /nfs/dbraw/zinc/04/32/82/609043282.db2.gz ASXKPQDNWPJSPD-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000937206683 609043286 /nfs/dbraw/zinc/04/32/86/609043286.db2.gz ASXKPQDNWPJSPD-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000937799440 609090780 /nfs/dbraw/zinc/09/07/80/609090780.db2.gz NWVXHDUPXUQHRU-OFQRWUPVSA-N 1 1 343.431 0.947 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)[nH]1 ZINC000937840662 609115413 /nfs/dbraw/zinc/11/54/13/609115413.db2.gz BILVVHAZIOABNR-KSSFIOAISA-N 1 1 341.415 0.703 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)[C@H](C)C2)nn1 ZINC000947791255 611691958 /nfs/dbraw/zinc/69/19/58/611691958.db2.gz AFMNVKZTHDXQCW-HUUCEWRRSA-N 1 1 343.435 0.944 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccnn3C)[C@@H](C)C2)nn1 ZINC000947792591 611692454 /nfs/dbraw/zinc/69/24/54/611692454.db2.gz OVAKAMZWEZHURG-UONOGXRCSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnn3C)[C@@H](C)C2)nn1 ZINC000947792591 611692457 /nfs/dbraw/zinc/69/24/57/611692457.db2.gz OVAKAMZWEZHURG-UONOGXRCSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncccc2O)C1 ZINC000937864291 609354917 /nfs/dbraw/zinc/35/49/17/609354917.db2.gz OGPZNDDTSBMRON-KBPBESRZSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2coc(C)n2)C1 ZINC000937867682 609361999 /nfs/dbraw/zinc/36/19/99/609361999.db2.gz CYHSPJPWOFPPOY-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2coc(C)n2)C1 ZINC000937867682 609362002 /nfs/dbraw/zinc/36/20/02/609362002.db2.gz CYHSPJPWOFPPOY-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000932960644 611694242 /nfs/dbraw/zinc/69/42/42/611694242.db2.gz QVTSHEZKVJUOBM-HNNXBMFYSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000938170485 609482582 /nfs/dbraw/zinc/48/25/82/609482582.db2.gz IHKCVQYOKXYKGC-IKGGRYGDSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 ZINC000938170807 609482858 /nfs/dbraw/zinc/48/28/58/609482858.db2.gz NHOSUFSWYGVCOS-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 ZINC000938170807 609482860 /nfs/dbraw/zinc/48/28/60/609482860.db2.gz NHOSUFSWYGVCOS-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC000938171039 609483156 /nfs/dbraw/zinc/48/31/56/609483156.db2.gz SUDFBKJLWCUGPC-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC000938171039 609483157 /nfs/dbraw/zinc/48/31/57/609483157.db2.gz SUDFBKJLWCUGPC-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c(C)ncn2C)C1 ZINC000938171057 609483559 /nfs/dbraw/zinc/48/35/59/609483559.db2.gz UUMDCKZKSKCDKN-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c(C)ncn2C)C1 ZINC000938171057 609483562 /nfs/dbraw/zinc/48/35/62/609483562.db2.gz UUMDCKZKSKCDKN-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)COC2CCCC2)C1 ZINC000938171317 609483941 /nfs/dbraw/zinc/48/39/41/609483941.db2.gz BIOSIGJJCDKXFT-RDJZCZTQSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)COC2CCCC2)C1 ZINC000938171317 609483942 /nfs/dbraw/zinc/48/39/42/609483942.db2.gz BIOSIGJJCDKXFT-RDJZCZTQSA-N 1 1 347.459 0.760 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000938227312 609554456 /nfs/dbraw/zinc/55/44/56/609554456.db2.gz ZFKYCVMMMJKGRP-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908014101 609637305 /nfs/dbraw/zinc/63/73/05/609637305.db2.gz WSOKACRLGXBZHV-RYUDHWBXSA-N 1 1 341.458 0.839 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000908014101 609637306 /nfs/dbraw/zinc/63/73/06/609637306.db2.gz WSOKACRLGXBZHV-RYUDHWBXSA-N 1 1 341.458 0.839 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000908083555 609642572 /nfs/dbraw/zinc/64/25/72/609642572.db2.gz SEWUCWHALGTIAX-UHFFFAOYSA-N 1 1 332.470 0.415 20 30 ECEDMO C=CCn1c([C@H]2COCCO2)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000908654482 609657432 /nfs/dbraw/zinc/65/74/32/609657432.db2.gz KGENKPRLGYWSNK-CPUCHLNUSA-N 1 1 333.436 0.940 20 30 ECEDMO C[C@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@H]1C[N@H+](C)CCN1C ZINC000919975582 609666881 /nfs/dbraw/zinc/66/68/81/609666881.db2.gz XEHUVYJVVMEUSW-XHDPSFHLSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000919975582 609666883 /nfs/dbraw/zinc/66/68/83/609666883.db2.gz XEHUVYJVVMEUSW-XHDPSFHLSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@H]1C[N@H+](C)CCN1C ZINC000919998988 609669715 /nfs/dbraw/zinc/66/97/15/609669715.db2.gz DKUVKZMCEZZXPH-SMDDNHRTSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@H]1C[N@@H+](C)CCN1C ZINC000919998988 609669717 /nfs/dbraw/zinc/66/97/17/609669717.db2.gz DKUVKZMCEZZXPH-SMDDNHRTSA-N 1 1 340.424 0.610 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)C1 ZINC000923599272 609674952 /nfs/dbraw/zinc/67/49/52/609674952.db2.gz SWUMUBAPTFUELJ-SDDRHHMPSA-N 1 1 331.338 0.515 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)C1 ZINC000923599272 609674954 /nfs/dbraw/zinc/67/49/54/609674954.db2.gz SWUMUBAPTFUELJ-SDDRHHMPSA-N 1 1 331.338 0.515 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC000947324707 609706577 /nfs/dbraw/zinc/70/65/77/609706577.db2.gz USBMUKZGJQVVTL-WDEREUQCSA-N 1 1 340.815 0.099 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC000947324707 609706579 /nfs/dbraw/zinc/70/65/79/609706579.db2.gz USBMUKZGJQVVTL-WDEREUQCSA-N 1 1 340.815 0.099 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC000948071371 609721476 /nfs/dbraw/zinc/72/14/76/609721476.db2.gz XNAMZTVJYXWUNV-CHWSQXEVSA-N 1 1 334.424 0.312 20 30 ECEDMO CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910570027 609732664 /nfs/dbraw/zinc/73/26/64/609732664.db2.gz QBYJZECWEZHNAP-QFBILLFUSA-N 1 1 340.427 0.927 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000938322568 609736181 /nfs/dbraw/zinc/73/61/81/609736181.db2.gz UMGRHDZEKFIYGE-CVEARBPZSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[C@@H]1C ZINC000948012047 609761959 /nfs/dbraw/zinc/76/19/59/609761959.db2.gz MBRPTDHHSKDZKL-WDEREUQCSA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[C@@H]1C ZINC000948012047 609761960 /nfs/dbraw/zinc/76/19/60/609761960.db2.gz MBRPTDHHSKDZKL-WDEREUQCSA-N 1 1 328.800 0.260 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000938398287 609763611 /nfs/dbraw/zinc/76/36/11/609763611.db2.gz DEYGFTCHKBGYQC-SJORKVTESA-N 1 1 325.412 0.950 20 30 ECEDMO C=C(C)C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC000913661544 609808318 /nfs/dbraw/zinc/80/83/18/609808318.db2.gz NMFSAMBIACWCSB-KGLIPLIRSA-N 1 1 340.420 0.886 20 30 ECEDMO C=C(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC000913661544 609808319 /nfs/dbraw/zinc/80/83/19/609808319.db2.gz NMFSAMBIACWCSB-KGLIPLIRSA-N 1 1 340.420 0.886 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929752590 609815797 /nfs/dbraw/zinc/81/57/97/609815797.db2.gz MDOAEBXPLCWOSX-UONOGXRCSA-N 1 1 341.477 0.079 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2csc(C)n2)C1 ZINC000938491471 609815969 /nfs/dbraw/zinc/81/59/69/609815969.db2.gz UCTFIGZZDUJFOS-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2csc(C)n2)C1 ZINC000938491471 609815970 /nfs/dbraw/zinc/81/59/70/609815970.db2.gz UCTFIGZZDUJFOS-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000938541701 609849562 /nfs/dbraw/zinc/84/95/62/609849562.db2.gz KNZUOJWEGQCSGO-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000938541701 609849564 /nfs/dbraw/zinc/84/95/64/609849564.db2.gz KNZUOJWEGQCSGO-HOCLYGCPSA-N 1 1 343.431 0.191 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000938540455 609859085 /nfs/dbraw/zinc/85/90/85/609859085.db2.gz WYKPAWJIKBTYPT-SWLSCSKDSA-N 1 1 329.404 0.511 20 30 ECEDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000914407311 609885221 /nfs/dbraw/zinc/88/52/21/609885221.db2.gz HJHYYDFWWGYJQD-LBPRGKRZSA-N 1 1 329.447 0.760 20 30 ECEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000914407311 609885223 /nfs/dbraw/zinc/88/52/23/609885223.db2.gz HJHYYDFWWGYJQD-LBPRGKRZSA-N 1 1 329.447 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2conc2CC)C1 ZINC000938675918 609932575 /nfs/dbraw/zinc/93/25/75/609932575.db2.gz TZKXEXDZTNDGGX-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2conc2CC)C1 ZINC000938675918 609932578 /nfs/dbraw/zinc/93/25/78/609932578.db2.gz TZKXEXDZTNDGGX-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CC2(C(=O)OCC)CCOCC2)C1 ZINC000923598251 609933863 /nfs/dbraw/zinc/93/38/63/609933863.db2.gz JZTRSRINJGTAPK-HNNXBMFYSA-N 1 1 336.432 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CC2(C(=O)OCC)CCOCC2)C1 ZINC000923598251 609933865 /nfs/dbraw/zinc/93/38/65/609933865.db2.gz JZTRSRINJGTAPK-HNNXBMFYSA-N 1 1 336.432 0.950 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000912302458 609945180 /nfs/dbraw/zinc/94/51/80/609945180.db2.gz DLBGUCFHIKBNGS-UHFFFAOYSA-N 1 1 347.488 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC000938852500 609991285 /nfs/dbraw/zinc/99/12/85/609991285.db2.gz KULHZLLJTPBXJS-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC000938852500 609991288 /nfs/dbraw/zinc/99/12/88/609991288.db2.gz KULHZLLJTPBXJS-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000918359974 610004849 /nfs/dbraw/zinc/00/48/49/610004849.db2.gz OIHXOQALHSKWPL-KFWWJZLASA-N 1 1 328.482 0.986 20 30 ECEDMO N#C[C@@H](CCc1ccccc1)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000913040569 610031789 /nfs/dbraw/zinc/03/17/89/610031789.db2.gz OLRUVZGJYMQULM-OAHLLOKOSA-N 1 1 328.416 0.825 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938904165 610036305 /nfs/dbraw/zinc/03/63/05/610036305.db2.gz ZPYJKVRMCSVPKN-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nonc3C)C2)nn1 ZINC000939293426 610149599 /nfs/dbraw/zinc/14/95/99/610149599.db2.gz UAJYRXSZGAOXQY-SMDDNHRTSA-N 1 1 345.407 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC000939954689 610175646 /nfs/dbraw/zinc/17/56/46/610175646.db2.gz RYARCWZAIHGTIO-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC000939954689 610175648 /nfs/dbraw/zinc/17/56/48/610175648.db2.gz RYARCWZAIHGTIO-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940050240 610196259 /nfs/dbraw/zinc/19/62/59/610196259.db2.gz QCGYXNSPYDZHCC-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000939455854 610208972 /nfs/dbraw/zinc/20/89/72/610208972.db2.gz VYYUBVLGBVNEHV-OAGGEKHMSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000939455854 610208974 /nfs/dbraw/zinc/20/89/74/610208974.db2.gz VYYUBVLGBVNEHV-OAGGEKHMSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3ccnn3C)CC2)C1 ZINC000941426811 610300838 /nfs/dbraw/zinc/30/08/38/610300838.db2.gz HHEYDZTWFMQZTA-UHFFFAOYSA-N 1 1 329.448 0.204 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)C1 ZINC000941426858 610300934 /nfs/dbraw/zinc/30/09/34/610300934.db2.gz KBBPLDXNYKFIGB-UHFFFAOYSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)CC2)C1 ZINC000941427933 610301499 /nfs/dbraw/zinc/30/14/99/610301499.db2.gz KSWOSSIRPFXTHI-MRXNPFEDSA-N 1 1 348.491 0.505 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940659313 610326850 /nfs/dbraw/zinc/32/68/50/610326850.db2.gz VZPVUZMLEXADJA-FZMZJTMJSA-N 1 1 331.420 0.851 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940693542 610333428 /nfs/dbraw/zinc/33/34/28/610333428.db2.gz WTPKPEDQVOLUOK-HNNXBMFYSA-N 1 1 343.431 0.995 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940693542 610333429 /nfs/dbraw/zinc/33/34/29/610333429.db2.gz WTPKPEDQVOLUOK-HNNXBMFYSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ncccn2)CC1 ZINC000941464903 610333913 /nfs/dbraw/zinc/33/39/13/610333913.db2.gz BVFHABNBEYDKHF-HNNXBMFYSA-N 1 1 341.415 0.249 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ncccn2)CC1 ZINC000941464903 610333914 /nfs/dbraw/zinc/33/39/14/610333914.db2.gz BVFHABNBEYDKHF-HNNXBMFYSA-N 1 1 341.415 0.249 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ncc(OC)cn3)CC2)C1 ZINC000941479547 610334835 /nfs/dbraw/zinc/33/48/35/610334835.db2.gz IHWDKDJWDBAYFT-UHFFFAOYSA-N 1 1 331.420 0.503 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](OC)c3cnn(C)c3)CC2)C1 ZINC000941502337 610345695 /nfs/dbraw/zinc/34/56/95/610345695.db2.gz QMGBATZFMNSTIT-KRWDZBQOSA-N 1 1 347.463 0.512 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(C)c3Cl)CC2)C1 ZINC000941505372 610347588 /nfs/dbraw/zinc/34/75/88/610347588.db2.gz ROMVWUGRIOAOBY-UHFFFAOYSA-N 1 1 349.866 0.847 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C(C)(C)C1 ZINC000940783489 610360114 /nfs/dbraw/zinc/36/01/14/610360114.db2.gz YNCALPFBHRJFHP-KGLIPLIRSA-N 1 1 333.432 0.764 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 ZINC000940806786 610372624 /nfs/dbraw/zinc/37/26/24/610372624.db2.gz ANGZBPLQIRQYMI-STQMWFEESA-N 1 1 336.436 0.767 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)CC2)C1 ZINC000941563716 610384340 /nfs/dbraw/zinc/38/43/40/610384340.db2.gz KRFZYMQSAMDABK-OAHLLOKOSA-N 1 1 329.448 0.844 20 30 ECEDMO C=CCN1CC(N2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CC2)C1 ZINC000941566378 610386429 /nfs/dbraw/zinc/38/64/29/610386429.db2.gz DOMRFLIXBGQQMW-MRXNPFEDSA-N 1 1 343.475 0.768 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)COC3CCOCC3)CC2)C1 ZINC000941590288 610399192 /nfs/dbraw/zinc/39/91/92/610399192.db2.gz JPYCIIWBMLAZEP-UHFFFAOYSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)CC2)C1 ZINC000941599573 610400673 /nfs/dbraw/zinc/40/06/73/610400673.db2.gz DLJPWRZKHDHLPK-HNNXBMFYSA-N 1 1 329.448 0.440 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000940863919 610400738 /nfs/dbraw/zinc/40/07/38/610400738.db2.gz ICETUWCIIFSWDZ-GFCCVEGCSA-N 1 1 339.417 0.391 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C3C[NH+](CC(=C)C)C3)CC2)nn1 ZINC000941596890 610414200 /nfs/dbraw/zinc/41/42/00/610414200.db2.gz RNALKPSOTFOOTB-UHFFFAOYSA-N 1 1 330.436 0.482 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000942361463 610417238 /nfs/dbraw/zinc/41/72/38/610417238.db2.gz WOTOZROFWJDLTM-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn4c3CCCC4)CC2)C1 ZINC000941632711 610418700 /nfs/dbraw/zinc/41/87/00/610418700.db2.gz PFXDKTNVAZILQY-UHFFFAOYSA-N 1 1 329.448 0.847 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC000942371000 610419366 /nfs/dbraw/zinc/41/93/66/610419366.db2.gz TZNOHEOTTFMRND-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873328 610421114 /nfs/dbraw/zinc/42/11/14/610421114.db2.gz LAXMKSGJDHBBTG-UONOGXRCSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc4c([nH]3)CCC4)CC2)C1 ZINC000941636363 610422184 /nfs/dbraw/zinc/42/21/84/610422184.db2.gz JBWUNRILPSJIKW-UHFFFAOYSA-N 1 1 326.444 0.969 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC000941636649 610422223 /nfs/dbraw/zinc/42/22/23/610422223.db2.gz RNSWZEDWTIHKJM-HNNXBMFYSA-N 1 1 343.475 0.919 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C(C)(C)C1 ZINC000940918107 610440231 /nfs/dbraw/zinc/44/02/31/610440231.db2.gz KTGIAWBYSVARRS-XHSDSOJGSA-N 1 1 335.448 0.472 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000942430084 610446005 /nfs/dbraw/zinc/44/60/05/610446005.db2.gz PSWCQRRHEWRDSU-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)N3CCOCC3)CC2)C1 ZINC000941674632 610447774 /nfs/dbraw/zinc/44/77/74/610447774.db2.gz FWKYFPNJRBFUAR-GOSISDBHSA-N 1 1 348.491 0.112 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc4n[nH]c(C)c4c3)CC2)C1 ZINC000941665098 610455801 /nfs/dbraw/zinc/45/58/01/610455801.db2.gz BNTYIRRANYMCSO-UHFFFAOYSA-N 1 1 340.431 0.894 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H](CC)N3CCCC3=O)CC2)C1 ZINC000941665043 610456024 /nfs/dbraw/zinc/45/60/24/610456024.db2.gz AGQHTRMNVOALKU-INIZCTEOSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)N3CCCC3=O)CC2)C1 ZINC000941666397 610457642 /nfs/dbraw/zinc/45/76/42/610457642.db2.gz XYAWZDCIXKGMIP-QGZVFWFLSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3csc(COC)n3)CC2)C1 ZINC000941684906 610463289 /nfs/dbraw/zinc/46/32/89/610463289.db2.gz GBJXZSRUWUACDA-UHFFFAOYSA-N 1 1 348.472 0.755 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H](OC)C1 ZINC000940991395 610485165 /nfs/dbraw/zinc/48/51/65/610485165.db2.gz RUNWTSGKLQMRTM-OWCLPIDISA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H](OC)C1 ZINC000940991395 610485167 /nfs/dbraw/zinc/48/51/67/610485167.db2.gz RUNWTSGKLQMRTM-OWCLPIDISA-N 1 1 333.432 0.226 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](C)C1 ZINC000942523628 610499084 /nfs/dbraw/zinc/49/90/84/610499084.db2.gz SLXJVJDGWZMTRE-JSGCOSHPSA-N 1 1 326.404 0.827 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC000947903103 610504557 /nfs/dbraw/zinc/50/45/57/610504557.db2.gz CTQYSJOOGNUUNB-CHWSQXEVSA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC000947903103 610504559 /nfs/dbraw/zinc/50/45/59/610504559.db2.gz CTQYSJOOGNUUNB-CHWSQXEVSA-N 1 1 332.404 0.714 20 30 ECEDMO CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000941827980 610515984 /nfs/dbraw/zinc/51/59/84/610515984.db2.gz FDHIDFISDRLQOY-BFHYXJOUSA-N 1 1 347.419 0.508 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000941091155 610531997 /nfs/dbraw/zinc/53/19/97/610531997.db2.gz NSPQFQKUBZOJKD-AWEZNQCLSA-N 1 1 346.435 0.029 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941967076 610581264 /nfs/dbraw/zinc/58/12/64/610581264.db2.gz PWOBGDGBUGRRHN-DOMZBBRYSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2occc2C)C1 ZINC000941242034 610614810 /nfs/dbraw/zinc/61/48/10/610614810.db2.gz SDPJKMYTXMXFHU-CVEARBPZSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2occc2C)C1 ZINC000941242034 610614813 /nfs/dbraw/zinc/61/48/13/610614813.db2.gz SDPJKMYTXMXFHU-CVEARBPZSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccn2CC)C1 ZINC000941245092 610616236 /nfs/dbraw/zinc/61/62/36/610616236.db2.gz IWXXDPRDXLJLFH-CVEARBPZSA-N 1 1 342.443 0.936 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cccn2CC)C1 ZINC000941245092 610616238 /nfs/dbraw/zinc/61/62/38/610616238.db2.gz IWXXDPRDXLJLFH-CVEARBPZSA-N 1 1 342.443 0.936 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnc(C)n2C)C1 ZINC000941245837 610616490 /nfs/dbraw/zinc/61/64/90/610616490.db2.gz XJEYJYQDQIPROD-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnc(C)n2C)C1 ZINC000941245837 610616491 /nfs/dbraw/zinc/61/64/91/610616491.db2.gz XJEYJYQDQIPROD-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c(C)cnn2C)C1 ZINC000941245762 610616561 /nfs/dbraw/zinc/61/65/61/610616561.db2.gz UBUZWJXKYBCSKD-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c(C)cnn2C)C1 ZINC000941245762 610616563 /nfs/dbraw/zinc/61/65/63/610616563.db2.gz UBUZWJXKYBCSKD-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC000941238071 610621986 /nfs/dbraw/zinc/62/19/86/610621986.db2.gz RXIGDKLMMNQRJX-JTDSTZFVSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC000941238071 610621988 /nfs/dbraw/zinc/62/19/88/610621988.db2.gz RXIGDKLMMNQRJX-JTDSTZFVSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 ZINC000942114487 610659969 /nfs/dbraw/zinc/65/99/69/610659969.db2.gz VEIWIXCNBZJKQA-OWCLPIDISA-N 1 1 344.415 0.068 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 ZINC000942114487 610659970 /nfs/dbraw/zinc/65/99/70/610659970.db2.gz VEIWIXCNBZJKQA-OWCLPIDISA-N 1 1 344.415 0.068 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H](C)C1 ZINC000942130444 610665483 /nfs/dbraw/zinc/66/54/83/610665483.db2.gz NSAZSUNVUHGQLH-YPMHNXCESA-N 1 1 329.828 0.424 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H](C)C1 ZINC000942130444 610665485 /nfs/dbraw/zinc/66/54/85/610665485.db2.gz NSAZSUNVUHGQLH-YPMHNXCESA-N 1 1 329.828 0.424 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1C ZINC000947900153 610681590 /nfs/dbraw/zinc/68/15/90/610681590.db2.gz PINPUODWKIKUHU-LSDHHAIUSA-N 1 1 347.463 0.926 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2nc(OC)cc(OC)n2)[C@H](C)C1 ZINC000942184414 610687915 /nfs/dbraw/zinc/68/79/15/610687915.db2.gz SLJZJYFCQXXJPL-OLZOCXBDSA-N 1 1 332.404 0.957 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc3ccc(OC)nn32)[C@@H](C)C1 ZINC000942197412 610692672 /nfs/dbraw/zinc/69/26/72/610692672.db2.gz VTUJRBGOYQVYQG-QWHCGFSZSA-N 1 1 327.388 0.811 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000941398684 610718785 /nfs/dbraw/zinc/71/87/85/610718785.db2.gz ZFKYCVMMMJKGRP-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000944141421 610754683 /nfs/dbraw/zinc/75/46/83/610754683.db2.gz KOQVGRVIQDWJMJ-OAHLLOKOSA-N 1 1 340.387 0.812 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@@H]2C)cn1 ZINC000944213178 610786087 /nfs/dbraw/zinc/78/60/87/610786087.db2.gz BXSNGYOWHJNNNW-GUYCJALGSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@]1(C)CCOC1 ZINC000944237850 610803993 /nfs/dbraw/zinc/80/39/93/610803993.db2.gz MFVIELXYDLMMIJ-GJYPPUQNSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@]1(C)CCOC1 ZINC000944237850 610803994 /nfs/dbraw/zinc/80/39/94/610803994.db2.gz MFVIELXYDLMMIJ-GJYPPUQNSA-N 1 1 347.459 0.618 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)CC2)C1 ZINC000944896332 610822453 /nfs/dbraw/zinc/82/24/53/610822453.db2.gz NYJGCMBTQKSQEB-INIZCTEOSA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)CC2)C1 ZINC000944896332 610822455 /nfs/dbraw/zinc/82/24/55/610822455.db2.gz NYJGCMBTQKSQEB-INIZCTEOSA-N 1 1 345.443 0.181 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC000944385805 610854572 /nfs/dbraw/zinc/85/45/72/610854572.db2.gz ZTTKHRVRHXOPCA-LSDHHAIUSA-N 1 1 332.448 0.939 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 ZINC000943546132 610894337 /nfs/dbraw/zinc/89/43/37/610894337.db2.gz ARGSZYRRUKEYRD-BXKDBHETSA-N 1 1 327.812 0.618 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 ZINC000943546132 610894338 /nfs/dbraw/zinc/89/43/38/610894338.db2.gz ARGSZYRRUKEYRD-BXKDBHETSA-N 1 1 327.812 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2cn[nH]c2)CC1 ZINC000943636535 610917296 /nfs/dbraw/zinc/91/72/96/610917296.db2.gz BFXQYTXGRGMQQO-JYJNAYRXSA-N 1 1 343.431 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2cn[nH]c2)CC1 ZINC000943636535 610917297 /nfs/dbraw/zinc/91/72/97/610917297.db2.gz BFXQYTXGRGMQQO-JYJNAYRXSA-N 1 1 343.431 0.665 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 ZINC000944535801 610954339 /nfs/dbraw/zinc/95/43/39/610954339.db2.gz ZONDKCZJZXWIQG-HIFRSBDPSA-N 1 1 335.452 0.683 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](C)C1 ZINC000945222843 610962656 /nfs/dbraw/zinc/96/26/56/610962656.db2.gz NRWJAVGWAUUSMA-CMPLNLGQSA-N 1 1 326.828 0.917 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](C)C1 ZINC000945222843 610962658 /nfs/dbraw/zinc/96/26/58/610962658.db2.gz NRWJAVGWAUUSMA-CMPLNLGQSA-N 1 1 326.828 0.917 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C ZINC000945319501 611023345 /nfs/dbraw/zinc/02/33/45/611023345.db2.gz UZORMKWGXUQCJP-CZUORRHYSA-N 1 1 328.416 0.958 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000944615651 611027612 /nfs/dbraw/zinc/02/76/12/611027612.db2.gz JDXLBOSVZQEOCX-QLFBSQMISA-N 1 1 337.464 0.882 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC000943973095 611061729 /nfs/dbraw/zinc/06/17/29/611061729.db2.gz BTWJXPADOIBOHF-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 ZINC000944654816 611062484 /nfs/dbraw/zinc/06/24/84/611062484.db2.gz PANRTCKJHPNMMC-QWHCGFSZSA-N 1 1 336.436 0.720 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 ZINC000943989294 611071834 /nfs/dbraw/zinc/07/18/34/611071834.db2.gz VDVFNGCERJETEX-OLZOCXBDSA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC1(F)F ZINC000944001866 611077079 /nfs/dbraw/zinc/07/70/79/611077079.db2.gz QABHEBUHZNGKHU-RDBSUJKOSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC1(F)F ZINC000944001866 611077081 /nfs/dbraw/zinc/07/70/81/611077081.db2.gz QABHEBUHZNGKHU-RDBSUJKOSA-N 1 1 339.386 0.846 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000944029770 611090740 /nfs/dbraw/zinc/09/07/40/611090740.db2.gz YPJNWIKAJKEVOM-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC000944722997 611114016 /nfs/dbraw/zinc/11/40/16/611114016.db2.gz JYPMGWFSIFWLOK-VGWMRTNUSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC000944722997 611114017 /nfs/dbraw/zinc/11/40/17/611114017.db2.gz JYPMGWFSIFWLOK-VGWMRTNUSA-N 1 1 333.432 0.084 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000945836727 611148616 /nfs/dbraw/zinc/14/86/16/611148616.db2.gz KZRXWANRDIWZHV-OAHLLOKOSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000945836727 611148617 /nfs/dbraw/zinc/14/86/17/611148617.db2.gz KZRXWANRDIWZHV-OAHLLOKOSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)CC[C@@H]2C1 ZINC000946877866 611218307 /nfs/dbraw/zinc/21/83/07/611218307.db2.gz BTHGUIRMOYBNJE-BBWFWOEESA-N 1 1 335.448 0.590 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000923270656 611222765 /nfs/dbraw/zinc/22/27/65/611222765.db2.gz WHNCIOXNTMMJFO-ZIAGYGMSSA-N 1 1 341.477 0.691 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)CC[C@@H]2C1 ZINC000946884620 611224636 /nfs/dbraw/zinc/22/46/36/611224636.db2.gz KIRUBEBDKRXLTD-OKILXGFUSA-N 1 1 341.415 0.383 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC[C@@H]2C1 ZINC000946884477 611224726 /nfs/dbraw/zinc/22/47/26/611224726.db2.gz CJFBTVJZVODBPS-QLFBSQMISA-N 1 1 348.447 0.721 20 30 ECEDMO CCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC000923322014 611229485 /nfs/dbraw/zinc/22/94/85/611229485.db2.gz RRLCKLRZSUEWAX-VNHYZAJKSA-N 1 1 340.449 0.050 20 30 ECEDMO CCC[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC000923322014 611229486 /nfs/dbraw/zinc/22/94/86/611229486.db2.gz RRLCKLRZSUEWAX-VNHYZAJKSA-N 1 1 340.449 0.050 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C(C)=O)CC[C@@H]2C1 ZINC000946897239 611237435 /nfs/dbraw/zinc/23/74/35/611237435.db2.gz YIYXHBZATSRQGS-KSZLIROESA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)CC[C@@H]2C1 ZINC000946906488 611249347 /nfs/dbraw/zinc/24/93/47/611249347.db2.gz DCBDWODYOSYPNZ-GASCZTMLSA-N 1 1 340.427 0.988 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCOCC3)CC[C@@H]2C1 ZINC000946915348 611259308 /nfs/dbraw/zinc/25/93/08/611259308.db2.gz DLNBIXGVGPNLQM-OKZBNKHCSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cccn2CCN2CCOCC2)C1 ZINC000923559299 611261305 /nfs/dbraw/zinc/26/13/05/611261305.db2.gz KDYMNJNBGJQFDW-KRWDZBQOSA-N 1 1 344.459 0.648 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccn2CCN2CCOCC2)C1 ZINC000923559299 611261309 /nfs/dbraw/zinc/26/13/09/611261309.db2.gz KDYMNJNBGJQFDW-KRWDZBQOSA-N 1 1 344.459 0.648 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)C1 ZINC000923560114 611261680 /nfs/dbraw/zinc/26/16/80/611261680.db2.gz NGHGJCHJZOMKQV-APWZRJJASA-N 1 1 325.412 0.658 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)C1 ZINC000923560114 611261683 /nfs/dbraw/zinc/26/16/83/611261683.db2.gz NGHGJCHJZOMKQV-APWZRJJASA-N 1 1 325.412 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2nnn(Cc3ccncc3)c2C)C1 ZINC000923560394 611261896 /nfs/dbraw/zinc/26/18/96/611261896.db2.gz VCTHXSOGRZKKLI-INIZCTEOSA-N 1 1 338.415 0.857 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nnn(Cc3ccncc3)c2C)C1 ZINC000923560394 611261897 /nfs/dbraw/zinc/26/18/97/611261897.db2.gz VCTHXSOGRZKKLI-INIZCTEOSA-N 1 1 338.415 0.857 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nnnc2-c2ccsc2)C1 ZINC000923556085 611262236 /nfs/dbraw/zinc/26/22/36/611262236.db2.gz ZCVPTKLAEVKSNJ-CYBMUJFWSA-N 1 1 330.417 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnnc2-c2ccsc2)C1 ZINC000923556085 611262237 /nfs/dbraw/zinc/26/22/37/611262237.db2.gz ZCVPTKLAEVKSNJ-CYBMUJFWSA-N 1 1 330.417 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(OC)c(OCCO)c2)C1 ZINC000923562573 611263025 /nfs/dbraw/zinc/26/30/25/611263025.db2.gz ZWQSBVKDHOIAJY-OAHLLOKOSA-N 1 1 332.400 0.894 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC)c(OCCO)c2)C1 ZINC000923562573 611263026 /nfs/dbraw/zinc/26/30/26/611263026.db2.gz ZWQSBVKDHOIAJY-OAHLLOKOSA-N 1 1 332.400 0.894 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 ZINC000923565249 611264059 /nfs/dbraw/zinc/26/40/59/611264059.db2.gz DXAPRXADRKIHJD-OAHLLOKOSA-N 1 1 339.399 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 ZINC000923565249 611264061 /nfs/dbraw/zinc/26/40/61/611264061.db2.gz DXAPRXADRKIHJD-OAHLLOKOSA-N 1 1 339.399 0.398 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)C1 ZINC000923571915 611265138 /nfs/dbraw/zinc/26/51/38/611265138.db2.gz TXZITOULWYJRGA-CABCVRRESA-N 1 1 341.477 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)C1 ZINC000923571915 611265139 /nfs/dbraw/zinc/26/51/39/611265139.db2.gz TXZITOULWYJRGA-CABCVRRESA-N 1 1 341.477 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CS(N)(=O)=O)cc2)C1 ZINC000923580260 611268783 /nfs/dbraw/zinc/26/87/83/611268783.db2.gz AYYFFKFCBUEOAA-HNNXBMFYSA-N 1 1 335.429 0.303 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CS(N)(=O)=O)cc2)C1 ZINC000923580260 611268785 /nfs/dbraw/zinc/26/87/85/611268785.db2.gz AYYFFKFCBUEOAA-HNNXBMFYSA-N 1 1 335.429 0.303 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CS(N)(=O)=O)cc2)C1 ZINC000923580261 611268808 /nfs/dbraw/zinc/26/88/08/611268808.db2.gz AYYFFKFCBUEOAA-OAHLLOKOSA-N 1 1 335.429 0.303 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CS(N)(=O)=O)cc2)C1 ZINC000923580261 611268809 /nfs/dbraw/zinc/26/88/09/611268809.db2.gz AYYFFKFCBUEOAA-OAHLLOKOSA-N 1 1 335.429 0.303 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000923588638 611269917 /nfs/dbraw/zinc/26/99/17/611269917.db2.gz KDIWXJVWAPRUAP-MRXNPFEDSA-N 1 1 327.432 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000923588638 611269918 /nfs/dbraw/zinc/26/99/18/611269918.db2.gz KDIWXJVWAPRUAP-MRXNPFEDSA-N 1 1 327.432 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000923594370 611279015 /nfs/dbraw/zinc/27/90/15/611279015.db2.gz JPOQPXNCTWSNPF-AWEZNQCLSA-N 1 1 335.429 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000923594370 611279016 /nfs/dbraw/zinc/27/90/16/611279016.db2.gz JPOQPXNCTWSNPF-AWEZNQCLSA-N 1 1 335.429 0.422 20 30 ECEDMO CCCn1nnnc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)CC[C@@H]2C1 ZINC000946521653 611299097 /nfs/dbraw/zinc/29/90/97/611299097.db2.gz YNVMZXVNRIQGFD-SOUVJXGZSA-N 1 1 345.451 0.913 20 30 ECEDMO CCCn1nnnc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)CC[C@@H]2C1 ZINC000946521653 611299100 /nfs/dbraw/zinc/29/91/00/611299100.db2.gz YNVMZXVNRIQGFD-SOUVJXGZSA-N 1 1 345.451 0.913 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000921885184 611323605 /nfs/dbraw/zinc/32/36/05/611323605.db2.gz OSTYBHPVBGOMIF-DLBZAZTESA-N 1 1 331.416 0.437 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CCCCS1(=O)=O)C1CC[NH+](C)CC1 ZINC000921905937 611325223 /nfs/dbraw/zinc/32/52/23/611325223.db2.gz JBTZYATZMMUCEI-HNNXBMFYSA-N 1 1 341.477 0.693 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921912029 611326220 /nfs/dbraw/zinc/32/62/20/611326220.db2.gz VMZGFNMYSNUNQB-TZMCWYRMSA-N 1 1 330.454 0.166 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@H]2CCN2CC)[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000922155645 611340287 /nfs/dbraw/zinc/34/02/87/611340287.db2.gz DJMZTHMJRIANQU-FZKCQIBNSA-N 1 1 334.464 0.209 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@H]2CCN2CC)[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000922155645 611340289 /nfs/dbraw/zinc/34/02/89/611340289.db2.gz DJMZTHMJRIANQU-FZKCQIBNSA-N 1 1 334.464 0.209 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC)[C@H]1C(=O)NC[C@@H]1CCN1CC ZINC000922155645 611340291 /nfs/dbraw/zinc/34/02/91/611340291.db2.gz DJMZTHMJRIANQU-FZKCQIBNSA-N 1 1 334.464 0.209 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@H]2CC[N@H+]2CC)[C@H]1C(=O)NC[C@@H]1CCN1CC ZINC000922155645 611340293 /nfs/dbraw/zinc/34/02/93/611340293.db2.gz DJMZTHMJRIANQU-FZKCQIBNSA-N 1 1 334.464 0.209 20 30 ECEDMO COCCOCCOCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000929150205 611733432 /nfs/dbraw/zinc/73/34/32/611733432.db2.gz JWDSOQFVPPCNKC-UHFFFAOYSA-N 1 1 334.420 0.755 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C ZINC000947929744 611744523 /nfs/dbraw/zinc/74/45/23/611744523.db2.gz NUFBIHNTHZCSIE-CHWSQXEVSA-N 1 1 344.419 0.967 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C ZINC000947935907 611747160 /nfs/dbraw/zinc/74/71/60/611747160.db2.gz YYPVDNXPQJAZHJ-NFAWXSAZSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C ZINC000947935907 611747161 /nfs/dbraw/zinc/74/71/61/611747161.db2.gz YYPVDNXPQJAZHJ-NFAWXSAZSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ncccn2)CC1 ZINC000947968023 611759316 /nfs/dbraw/zinc/75/93/16/611759316.db2.gz YBOGOFXZPUUITB-HNNXBMFYSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ncccn2)CC1 ZINC000947968023 611759318 /nfs/dbraw/zinc/75/93/18/611759318.db2.gz YBOGOFXZPUUITB-HNNXBMFYSA-N 1 1 341.415 0.295 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)nn1 ZINC000947972581 611761137 /nfs/dbraw/zinc/76/11/37/611761137.db2.gz OPZHXEFYJUSJHK-NFAWXSAZSA-N 1 1 346.435 0.135 20 30 ECEDMO CN1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+](C)CC1 ZINC000933995114 611764458 /nfs/dbraw/zinc/76/44/58/611764458.db2.gz YUXIJFBDKTUYQH-SFHVURJKSA-N 1 1 341.459 0.843 20 30 ECEDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000934118888 611770158 /nfs/dbraw/zinc/77/01/58/611770158.db2.gz QQMCXFKVZUNBNQ-LSDHHAIUSA-N 1 1 347.419 0.613 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(C)nn1C ZINC000949007018 611804172 /nfs/dbraw/zinc/80/41/72/611804172.db2.gz HKNFNPZREQDPGL-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(C)nn1C ZINC000949007018 611804174 /nfs/dbraw/zinc/80/41/74/611804174.db2.gz HKNFNPZREQDPGL-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=COCCC2)C1 ZINC000950645309 611814518 /nfs/dbraw/zinc/81/45/18/611814518.db2.gz RULKBUFVVBQZEX-OIISXLGYSA-N 1 1 345.443 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2=COCCC2)C1 ZINC000950645309 611814521 /nfs/dbraw/zinc/81/45/21/611814521.db2.gz RULKBUFVVBQZEX-OIISXLGYSA-N 1 1 345.443 0.741 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000950648541 611816678 /nfs/dbraw/zinc/81/66/78/611816678.db2.gz PSFUOYHXWVDKSF-YUELXQCFSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000950648541 611816680 /nfs/dbraw/zinc/81/66/80/611816680.db2.gz PSFUOYHXWVDKSF-YUELXQCFSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2CCOCC2)C1 ZINC000950648310 611816713 /nfs/dbraw/zinc/81/67/13/611816713.db2.gz HZDXLIPBYUUNJP-OIISXLGYSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2CCOCC2)C1 ZINC000950648310 611816715 /nfs/dbraw/zinc/81/67/15/611816715.db2.gz HZDXLIPBYUUNJP-OIISXLGYSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1=COCCC1 ZINC000950755681 611891192 /nfs/dbraw/zinc/89/11/92/611891192.db2.gz RILOZMFZCVOKHM-CVEARBPZSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1=COCCC1 ZINC000950755681 611891195 /nfs/dbraw/zinc/89/11/95/611891195.db2.gz RILOZMFZCVOKHM-CVEARBPZSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1ccc(C)n1 ZINC000950755740 611891457 /nfs/dbraw/zinc/89/14/57/611891457.db2.gz STVHAUPAIQBUHL-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1ccc(C)n1 ZINC000950755740 611891458 /nfs/dbraw/zinc/89/14/58/611891458.db2.gz STVHAUPAIQBUHL-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000950231942 611916692 /nfs/dbraw/zinc/91/66/92/611916692.db2.gz SOXPRNHVCAPUJS-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949379150 611957628 /nfs/dbraw/zinc/95/76/28/611957628.db2.gz PZUZQYCJIXXWKO-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949379150 611957629 /nfs/dbraw/zinc/95/76/29/611957629.db2.gz PZUZQYCJIXXWKO-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC000949405998 611967426 /nfs/dbraw/zinc/96/74/26/611967426.db2.gz PWJRACFVUMUFAT-UHFFFAOYSA-N 1 1 347.459 0.716 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC000949405998 611967427 /nfs/dbraw/zinc/96/74/27/611967427.db2.gz PWJRACFVUMUFAT-UHFFFAOYSA-N 1 1 347.459 0.716 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC000949412562 611969992 /nfs/dbraw/zinc/96/99/92/611969992.db2.gz YTFASQRZXZQVBU-OAHLLOKOSA-N 1 1 335.448 0.925 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC000949412562 611969993 /nfs/dbraw/zinc/96/99/93/611969993.db2.gz YTFASQRZXZQVBU-OAHLLOKOSA-N 1 1 335.448 0.925 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000949452121 611986190 /nfs/dbraw/zinc/98/61/90/611986190.db2.gz GORDMMRKUPBHJH-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC000949455141 611987392 /nfs/dbraw/zinc/98/73/92/611987392.db2.gz UACPLTWUVZRRNN-UHFFFAOYSA-N 1 1 346.431 0.516 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000950947081 611993659 /nfs/dbraw/zinc/99/36/59/611993659.db2.gz GVRVAZADURTMQR-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000950947081 611993662 /nfs/dbraw/zinc/99/36/62/611993662.db2.gz GVRVAZADURTMQR-GJZGRUSLSA-N 1 1 343.431 0.537 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cn3nccc3C)CC2)C1 ZINC000949486730 612000291 /nfs/dbraw/zinc/00/02/91/612000291.db2.gz GVMANQKKVDUKEY-UHFFFAOYSA-N 1 1 330.432 0.908 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)Cn3nccc3C)CC2)C1 ZINC000949486730 612000293 /nfs/dbraw/zinc/00/02/93/612000293.db2.gz GVMANQKKVDUKEY-UHFFFAOYSA-N 1 1 330.432 0.908 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nccn2C)C1 ZINC000950533828 612058039 /nfs/dbraw/zinc/05/80/39/612058039.db2.gz NYJZQQHRRZQBSC-INIZCTEOSA-N 1 1 329.448 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nccn2C)C1 ZINC000950533828 612058041 /nfs/dbraw/zinc/05/80/41/612058041.db2.gz NYJZQQHRRZQBSC-INIZCTEOSA-N 1 1 329.448 0.550 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C[N@H+](C)C2CCC2)nc1 ZINC000951377462 612193992 /nfs/dbraw/zinc/19/39/92/612193992.db2.gz ZBOWHHNEVCMYHF-INIZCTEOSA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000951410228 612210929 /nfs/dbraw/zinc/21/09/29/612210929.db2.gz ATXZKADIEPIAFC-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000951491347 612268034 /nfs/dbraw/zinc/26/80/34/612268034.db2.gz CHDLWZNBFRCBQW-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000951494535 612269112 /nfs/dbraw/zinc/26/91/12/612269112.db2.gz OIZABMWTLPOCLE-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC000953822788 612321117 /nfs/dbraw/zinc/32/11/17/612321117.db2.gz PLHSLUSQIWQTDH-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC000953822788 612321122 /nfs/dbraw/zinc/32/11/22/612321122.db2.gz PLHSLUSQIWQTDH-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)[nH]n2)C1 ZINC000953822788 612321127 /nfs/dbraw/zinc/32/11/27/612321127.db2.gz PLHSLUSQIWQTDH-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)[nH]n2)C1 ZINC000953822788 612321131 /nfs/dbraw/zinc/32/11/31/612321131.db2.gz PLHSLUSQIWQTDH-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)c3ccn[nH]3)C2)CC1 ZINC000954500511 612335754 /nfs/dbraw/zinc/33/57/54/612335754.db2.gz RXEPNFIKTDCPGD-UHFFFAOYSA-N 1 1 329.404 0.038 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC000955264292 612394617 /nfs/dbraw/zinc/39/46/17/612394617.db2.gz YUZGUEIWOKGZGF-CQSZACIVSA-N 1 1 340.427 0.688 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000955339344 612458609 /nfs/dbraw/zinc/45/86/09/612458609.db2.gz CTRFTXNSCMWPPA-ZVZYQTTQSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@]2(C)CCOC2)C1 ZINC000954630320 612467430 /nfs/dbraw/zinc/46/74/30/612467430.db2.gz BBLZKKIBNMOPPK-MAUKXSAKSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@]2(C)CCOC2)C1 ZINC000954630320 612467435 /nfs/dbraw/zinc/46/74/35/612467435.db2.gz BBLZKKIBNMOPPK-MAUKXSAKSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2coc(OC)n2)C1 ZINC000954630334 612467487 /nfs/dbraw/zinc/46/74/87/612467487.db2.gz CEDDCRLZOUYSPM-AWEZNQCLSA-N 1 1 346.387 0.064 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2coc(OC)n2)C1 ZINC000954630334 612467491 /nfs/dbraw/zinc/46/74/91/612467491.db2.gz CEDDCRLZOUYSPM-AWEZNQCLSA-N 1 1 346.387 0.064 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](CC)SC)C1 ZINC000954630682 612468339 /nfs/dbraw/zinc/46/83/39/612468339.db2.gz GZBZGDGCBCFRIJ-LSDHHAIUSA-N 1 1 337.489 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](CC)SC)C1 ZINC000954630682 612468343 /nfs/dbraw/zinc/46/83/43/612468343.db2.gz GZBZGDGCBCFRIJ-LSDHHAIUSA-N 1 1 337.489 0.895 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2(C)CCOCC2)C1 ZINC000954631338 612470339 /nfs/dbraw/zinc/47/03/39/612470339.db2.gz XCUYOSUVECZTGX-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2(C)CCOCC2)C1 ZINC000954631338 612470342 /nfs/dbraw/zinc/47/03/42/612470342.db2.gz XCUYOSUVECZTGX-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000955350860 612483770 /nfs/dbraw/zinc/48/37/70/612483770.db2.gz UFNPVQVHAFSREO-GUYCJALGSA-N 1 1 340.427 0.543 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000956775474 612514570 /nfs/dbraw/zinc/51/45/70/612514570.db2.gz LNTDOYUCNCOTQO-RHSMWYFYSA-N 1 1 346.435 0.279 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000953987659 612526446 /nfs/dbraw/zinc/52/64/46/612526446.db2.gz ITQJDNBLQVSWBU-HIFRSBDPSA-N 1 1 336.436 0.316 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000953987659 612526448 /nfs/dbraw/zinc/52/64/48/612526448.db2.gz ITQJDNBLQVSWBU-HIFRSBDPSA-N 1 1 336.436 0.316 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000955411923 612558706 /nfs/dbraw/zinc/55/87/06/612558706.db2.gz OEFSTKYHCMRFJP-NCOADZHNSA-N 1 1 345.443 0.321 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000955411923 612558710 /nfs/dbraw/zinc/55/87/10/612558710.db2.gz OEFSTKYHCMRFJP-NCOADZHNSA-N 1 1 345.443 0.321 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956837862 612607794 /nfs/dbraw/zinc/60/77/94/612607794.db2.gz SHBYDICNHDZCHR-YVEFUNNKSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954110153 612673917 /nfs/dbraw/zinc/67/39/17/612673917.db2.gz STYHMKXKJFKCRG-LLVKDONJSA-N 1 1 340.387 0.771 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc(C)on1 ZINC000956073609 612677345 /nfs/dbraw/zinc/67/73/45/612677345.db2.gz LYBPMQXKFXPBSU-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc(C)on1 ZINC000956073609 612677348 /nfs/dbraw/zinc/67/73/48/612677348.db2.gz LYBPMQXKFXPBSU-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccnn1C ZINC000956073314 612677573 /nfs/dbraw/zinc/67/75/73/612677573.db2.gz OPTGVFFGJRAAQV-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccnn1C ZINC000956073314 612677577 /nfs/dbraw/zinc/67/75/77/612677577.db2.gz OPTGVFFGJRAAQV-HOCLYGCPSA-N 1 1 343.431 0.239 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956110612 612715126 /nfs/dbraw/zinc/71/51/26/612715126.db2.gz XMSWXVBYNKTTOM-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC000956177542 612760211 /nfs/dbraw/zinc/76/02/11/612760211.db2.gz KODHTKAPFDOUMD-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC000956177542 612760213 /nfs/dbraw/zinc/76/02/13/612760213.db2.gz KODHTKAPFDOUMD-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000954912316 612781806 /nfs/dbraw/zinc/78/18/06/612781806.db2.gz HUNYFMLLZMSGGU-GUYCJALGSA-N 1 1 340.427 0.543 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC23CCC3)C1 ZINC000954286614 612823684 /nfs/dbraw/zinc/82/36/84/612823684.db2.gz GKZWUGQJEMAXDI-CVEARBPZSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC23CCC3)C1 ZINC000954286614 612823687 /nfs/dbraw/zinc/82/36/87/612823687.db2.gz GKZWUGQJEMAXDI-CVEARBPZSA-N 1 1 329.444 0.943 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC000954307724 612840243 /nfs/dbraw/zinc/84/02/43/612840243.db2.gz CBIBVBQYOMUMLQ-OAHLLOKOSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccnc(C)c2)C1 ZINC000955088000 612893788 /nfs/dbraw/zinc/89/37/88/612893788.db2.gz AXWBKZVXUOCTNP-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccnc(C)c2)C1 ZINC000955088000 612893793 /nfs/dbraw/zinc/89/37/93/612893793.db2.gz AXWBKZVXUOCTNP-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cccnc2)C1 ZINC000956642782 612927516 /nfs/dbraw/zinc/92/75/16/612927516.db2.gz YJLHFLOQSBGAEZ-LPHOPBHVSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cccnc2)C1 ZINC000956642782 612927517 /nfs/dbraw/zinc/92/75/17/612927517.db2.gz YJLHFLOQSBGAEZ-LPHOPBHVSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cc(C)n[nH]2)C1 ZINC000956738880 612940927 /nfs/dbraw/zinc/94/09/27/612940927.db2.gz PBYJZZXFHYKVCB-YJBOKZPZSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cc(C)n[nH]2)C1 ZINC000956738880 612940928 /nfs/dbraw/zinc/94/09/28/612940928.db2.gz PBYJZZXFHYKVCB-YJBOKZPZSA-N 1 1 343.431 0.537 20 30 ECEDMO Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cnc1C#N ZINC001164747074 720743834 /nfs/dbraw/zinc/74/38/34/720743834.db2.gz ZWFAQHGNSCQRHK-KGLIPLIRSA-N 1 1 337.387 0.789 20 30 ECEDMO N#Cc1ncc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1C#N ZINC001164738536 720772695 /nfs/dbraw/zinc/77/26/95/720772695.db2.gz FXVXRWSAIVGWDV-OLZOCXBDSA-N 1 1 348.370 0.352 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C#N)cc3C#N)CC[C@H]2C1 ZINC001164855719 720845641 /nfs/dbraw/zinc/84/56/41/720845641.db2.gz UVIZYURHEADBDR-DOTOQJQBSA-N 1 1 341.415 0.998 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C#N)nc(C)n3)CC[C@@H]2C1 ZINC001164860073 720889427 /nfs/dbraw/zinc/88/94/27/720889427.db2.gz ODTWUUIVXWSSMK-ZBFHGGJFSA-N 1 1 331.420 0.830 20 30 ECEDMO C[NH+]=C(NCCN1CCSCC1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261988893 735286043 /nfs/dbraw/zinc/28/60/43/735286043.db2.gz QVZHXVAJIKCFLR-UKRRQHHQSA-N 1 1 325.526 0.683 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cncn3C)C2)C1=O ZINC000971874913 735296435 /nfs/dbraw/zinc/29/64/35/735296435.db2.gz JEGRTAIXJZUGKT-KBPBESRZSA-N 1 1 331.420 0.353 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)Nc2ncccc2C#N)C1 ZINC001098215772 735363483 /nfs/dbraw/zinc/36/34/83/735363483.db2.gz VXGBNJMCPCYTIB-DZGCQCFKSA-N 1 1 331.420 0.979 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC000972008609 735494170 /nfs/dbraw/zinc/49/41/70/735494170.db2.gz JPYDXVTXODRWGY-LBPRGKRZSA-N 1 1 327.816 0.257 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC000972008609 735494173 /nfs/dbraw/zinc/49/41/73/735494173.db2.gz JPYDXVTXODRWGY-LBPRGKRZSA-N 1 1 327.816 0.257 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C)n2C)C1 ZINC000972965550 738413022 /nfs/dbraw/zinc/41/30/22/738413022.db2.gz KEDZMRDYFCDQKL-ZOBUZTSGSA-N 1 1 342.443 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C)n2C)C1 ZINC000972965550 738413025 /nfs/dbraw/zinc/41/30/25/738413025.db2.gz KEDZMRDYFCDQKL-ZOBUZTSGSA-N 1 1 342.443 0.808 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(F)F)C2)nn1 ZINC001098592882 738412179 /nfs/dbraw/zinc/41/21/79/738412179.db2.gz ZGHCWVYVAJBJNH-LBPRGKRZSA-N 1 1 329.351 0.609 20 30 ECEDMO O=C(C#CC1CC1)N1CCCC[C@@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001024960231 738429877 /nfs/dbraw/zinc/42/98/77/738429877.db2.gz QSOFCCMJILHMSC-OAHLLOKOSA-N 1 1 343.431 0.692 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCO[C@H](CNc2ccc(C#N)cn2)C1 ZINC001111951624 738446346 /nfs/dbraw/zinc/44/63/46/738446346.db2.gz JNTSQBBRNVXMGA-OAHLLOKOSA-N 1 1 331.420 0.934 20 30 ECEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC000969156438 731540927 /nfs/dbraw/zinc/54/09/27/731540927.db2.gz SMLUXMPMCNKPMM-AWEZNQCLSA-N 1 1 348.451 0.704 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCO[C@H](CNc2cnc(C#N)cn2)C1 ZINC001111957158 738527546 /nfs/dbraw/zinc/52/75/46/738527546.db2.gz NKFKFVBOPDVYRM-CQSZACIVSA-N 1 1 346.435 0.718 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)cn1 ZINC001041794921 782223421 /nfs/dbraw/zinc/22/34/21/782223421.db2.gz YAYVYPHROPCDIY-UGSOOPFHSA-N 1 1 326.400 0.475 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Oc3cccnc3)[C@H]2C1 ZINC001083188902 731766920 /nfs/dbraw/zinc/76/69/20/731766920.db2.gz RFEZTWXQUPAPFJ-BHYGNILZSA-N 1 1 329.400 0.784 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)C3=COCCC3)C2)C1=O ZINC000969395326 731796522 /nfs/dbraw/zinc/79/65/22/731796522.db2.gz HWDNFAJECDDAHY-CZUORRHYSA-N 1 1 333.432 0.904 20 30 ECEDMO Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001041809138 782246313 /nfs/dbraw/zinc/24/63/13/782246313.db2.gz WUZXKRMTOYHXQN-LERXQTSPSA-N 1 1 349.460 0.595 20 30 ECEDMO Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001041809138 782246317 /nfs/dbraw/zinc/24/63/17/782246317.db2.gz WUZXKRMTOYHXQN-LERXQTSPSA-N 1 1 349.460 0.595 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC000969465586 731912115 /nfs/dbraw/zinc/91/21/15/731912115.db2.gz GLMRVAJPAOUMDL-GHMZBOCLSA-N 1 1 329.404 0.604 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC000969482277 731919692 /nfs/dbraw/zinc/91/96/92/731919692.db2.gz CTKJZVBOPNASFY-IUODEOHRSA-N 1 1 344.415 0.624 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000969514856 731935937 /nfs/dbraw/zinc/93/59/37/731935937.db2.gz UUQPLKPIWTVOAY-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1COCCN1C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969517688 731937551 /nfs/dbraw/zinc/93/75/51/731937551.db2.gz NAWKICYGDUDTRG-KSSFIOAISA-N 1 1 342.443 0.825 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046576 738579079 /nfs/dbraw/zinc/57/90/79/738579079.db2.gz DYIJQQDFEWDJSN-RISCZKNCSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046576 738579081 /nfs/dbraw/zinc/57/90/81/738579081.db2.gz DYIJQQDFEWDJSN-RISCZKNCSA-N 1 1 331.420 0.803 20 30 ECEDMO CC1(C)C[N@@H+](CCN2CCCC2=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973047132 738583351 /nfs/dbraw/zinc/58/33/51/738583351.db2.gz ILBNUUZGACRMNP-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041811366 782251931 /nfs/dbraw/zinc/25/19/31/782251931.db2.gz NKRKNZBNNQEUJU-WMZOPIPTSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069982458 790276412 /nfs/dbraw/zinc/27/64/12/790276412.db2.gz BRIPNBNOSDNFPV-CVEARBPZSA-N 1 1 343.435 0.826 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069982458 790276415 /nfs/dbraw/zinc/27/64/15/790276415.db2.gz BRIPNBNOSDNFPV-CVEARBPZSA-N 1 1 343.435 0.826 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(C(=O)NC)n3)C2)C1 ZINC001041811803 782252436 /nfs/dbraw/zinc/25/24/36/782252436.db2.gz SOMUIBRIHARAET-SFHVURJKSA-N 1 1 326.400 0.612 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041812237 782253334 /nfs/dbraw/zinc/25/33/34/782253334.db2.gz WJSKPZXRRLATCB-WMZOPIPTSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nccnc2C)C1 ZINC000969865153 732461803 /nfs/dbraw/zinc/46/18/03/732461803.db2.gz KHCMUZQVFVRGIJ-KDOFPFPSSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nccnc2C)C1 ZINC000969865153 732461805 /nfs/dbraw/zinc/46/18/05/732461805.db2.gz KHCMUZQVFVRGIJ-KDOFPFPSSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nccnc2C)C1 ZINC000969865153 732461807 /nfs/dbraw/zinc/46/18/07/732461807.db2.gz KHCMUZQVFVRGIJ-KDOFPFPSSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000969866670 732465114 /nfs/dbraw/zinc/46/51/14/732465114.db2.gz YWXPEANUDGYQIH-WBVHZDCISA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nc(CC)no2)C1 ZINC000969866704 732465194 /nfs/dbraw/zinc/46/51/94/732465194.db2.gz ZGYXYICOUMAUCH-HIFRSBDPSA-N 1 1 345.447 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nc(CC)no2)C1 ZINC000969866704 732465197 /nfs/dbraw/zinc/46/51/97/732465197.db2.gz ZGYXYICOUMAUCH-HIFRSBDPSA-N 1 1 345.447 0.666 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)n2CC)C1 ZINC000970014218 732626013 /nfs/dbraw/zinc/62/60/13/732626013.db2.gz DQUSPDISVMJDSS-KFWWJZLASA-N 1 1 333.436 0.888 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1nccc(C)n1 ZINC001125327651 733049264 /nfs/dbraw/zinc/04/92/64/733049264.db2.gz WXAZPWRSWBPVLE-CVEARBPZSA-N 1 1 345.447 0.138 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1nccc(C)n1 ZINC001125327651 733049266 /nfs/dbraw/zinc/04/92/66/733049266.db2.gz WXAZPWRSWBPVLE-CVEARBPZSA-N 1 1 345.447 0.138 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N3CCOCC3)C2)C1 ZINC001041838668 782315960 /nfs/dbraw/zinc/31/59/60/782315960.db2.gz CVICXNAYAGYTEN-IEBWSBKVSA-N 1 1 331.460 0.655 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCOCC3=O)CC2)C1 ZINC001039133233 733070444 /nfs/dbraw/zinc/07/04/44/733070444.db2.gz FWYZTLYSDWUVFB-MRXNPFEDSA-N 1 1 333.432 0.039 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](C[C@H](C)O)C3)C2)CC1 ZINC001041845000 782326728 /nfs/dbraw/zinc/32/67/28/782326728.db2.gz RHFVXACGFSJNQM-QFBILLFUSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C[C@H](C)O)C3)C2)CC1 ZINC001041845000 782326737 /nfs/dbraw/zinc/32/67/37/782326737.db2.gz RHFVXACGFSJNQM-QFBILLFUSA-N 1 1 333.476 0.637 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3c[nH]nc3C)C2)C1=O ZINC000970243313 733259698 /nfs/dbraw/zinc/25/96/98/733259698.db2.gz BFDHXKPOLNKXHD-NHYWBVRUSA-N 1 1 331.420 0.555 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC000970254904 733261952 /nfs/dbraw/zinc/26/19/52/733261952.db2.gz DYMLSQKPHQRHGH-MLGOLLRUSA-N 1 1 339.395 0.523 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000970324378 733354043 /nfs/dbraw/zinc/35/40/43/733354043.db2.gz GQTLMSWUAGCCLR-OAHLLOKOSA-N 1 1 343.366 0.465 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2O)CC1 ZINC000970328677 733364706 /nfs/dbraw/zinc/36/47/06/733364706.db2.gz DTLUCXKNZGWVNQ-IKGGRYGDSA-N 1 1 349.475 0.905 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(C)CC=CC2)[C@@H](O)C1 ZINC000970331080 733367364 /nfs/dbraw/zinc/36/73/64/733367364.db2.gz XHPMENSGWHSAJX-PMPSAXMXSA-N 1 1 345.443 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(C)CC=CC2)[C@@H](O)C1 ZINC000970331080 733367368 /nfs/dbraw/zinc/36/73/68/733367368.db2.gz XHPMENSGWHSAJX-PMPSAXMXSA-N 1 1 345.443 0.128 20 30 ECEDMO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)CNc1ccnc(C#N)n1 ZINC001104260011 733445018 /nfs/dbraw/zinc/44/50/18/733445018.db2.gz ICUHQGRJXDTNJB-KGLIPLIRSA-N 1 1 330.436 0.809 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCCNC3=O)C2)c1 ZINC000970399526 733470772 /nfs/dbraw/zinc/47/07/72/733470772.db2.gz QNSLEEJQDJXUGV-WBMJQRKESA-N 1 1 326.400 0.392 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCCC(=O)N(C)C)CC1 ZINC001098537002 733543328 /nfs/dbraw/zinc/54/33/28/733543328.db2.gz ULFVCVWIHFTWPT-UHFFFAOYSA-N 1 1 337.464 0.554 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000970448107 733545489 /nfs/dbraw/zinc/54/54/89/733545489.db2.gz QXYGDTUMSYTXFO-GFCCVEGCSA-N 1 1 343.391 0.174 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970569578 733685598 /nfs/dbraw/zinc/68/55/98/733685598.db2.gz BPCCZGNLZIUZLD-QRTARXTBSA-N 1 1 335.448 0.636 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000973103598 738743242 /nfs/dbraw/zinc/74/32/42/738743242.db2.gz OIYREYCAPWGKOI-JYJNAYRXSA-N 1 1 326.400 0.534 20 30 ECEDMO C[C@H](NC(=O)c1ncn[nH]1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000970609418 733737149 /nfs/dbraw/zinc/73/71/49/733737149.db2.gz XBCIUQJUZBWREV-LBPRGKRZSA-N 1 1 340.387 0.957 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cn(CC)nn3)C2)C1=O ZINC000970660815 733792897 /nfs/dbraw/zinc/79/28/97/733792897.db2.gz SVGCHOQQLBIKFH-DOMZBBRYSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cn(CC)nn3)C2)C1=O ZINC000970660817 733792909 /nfs/dbraw/zinc/79/29/09/733792909.db2.gz SVGCHOQQLBIKFH-SWLSCSKDSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970713157 733862879 /nfs/dbraw/zinc/86/28/79/733862879.db2.gz GGDKUOVCOBDNFO-CYBMUJFWSA-N 1 1 346.431 0.785 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3ccn(CC)n3)C2)CC1 ZINC000970792248 733943085 /nfs/dbraw/zinc/94/30/85/733943085.db2.gz HDAGOJVLQWAIMU-GOSISDBHSA-N 1 1 343.475 0.939 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CC[C@@H]3CCOC3)C2)CC1 ZINC000970792433 733943439 /nfs/dbraw/zinc/94/34/39/733943439.db2.gz KKLSCRAJLXIYDM-SJLPKXTDSA-N 1 1 333.476 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC000970836983 734001253 /nfs/dbraw/zinc/00/12/53/734001253.db2.gz CRPJREBITOUSOG-IUODEOHRSA-N 1 1 344.415 0.624 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3[nH]cnc3C)C2)C1=O ZINC000970993587 734152822 /nfs/dbraw/zinc/15/28/22/734152822.db2.gz QHEUKKPQTXQQFF-BXUZGUMPSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCC4CCC4)C[C@H]32)nn1 ZINC001114943110 734223862 /nfs/dbraw/zinc/22/38/62/734223862.db2.gz SDHCEGQMPNYXOT-QLPKVWCKSA-N 1 1 345.447 0.941 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(c3ccnc(C#N)n3)CCO2)C1 ZINC001104322100 734299491 /nfs/dbraw/zinc/29/94/91/734299491.db2.gz VNPLOSVZXLNLGE-UONOGXRCSA-N 1 1 344.419 0.011 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 ZINC001104323141 734302326 /nfs/dbraw/zinc/30/23/26/734302326.db2.gz JKSFTTGGLWHVPK-OAHLLOKOSA-N 1 1 346.435 0.402 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2cnnn2)C1 ZINC001078163560 782407936 /nfs/dbraw/zinc/40/79/36/782407936.db2.gz UMFRQMMHDKNDPM-UKRRQHHQSA-N 1 1 328.376 0.013 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3nnn(C)c3C)C2)C1=O ZINC000971259927 734404281 /nfs/dbraw/zinc/40/42/81/734404281.db2.gz NPMQPLBACISSHJ-UONOGXRCSA-N 1 1 346.435 0.057 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNc2ncccc2C#N)C1 ZINC001111489374 734414319 /nfs/dbraw/zinc/41/43/19/734414319.db2.gz VQMZNOHKDSPTRX-AWEZNQCLSA-N 1 1 331.420 0.528 20 30 ECEDMO CN1CCC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000971288418 734421567 /nfs/dbraw/zinc/42/15/67/734421567.db2.gz IXOQTPKMHDEXFK-UKRRQHHQSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cn(C)cn3)C2)C1=O ZINC000971342538 734458713 /nfs/dbraw/zinc/45/87/13/734458713.db2.gz CPJXJQUCFCHMJN-DZGCQCFKSA-N 1 1 331.420 0.353 20 30 ECEDMO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000971363695 734476258 /nfs/dbraw/zinc/47/62/58/734476258.db2.gz CIHPISTUQBPORJ-HNNXBMFYSA-N 1 1 341.419 0.941 20 30 ECEDMO CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000971364148 734476606 /nfs/dbraw/zinc/47/66/06/734476606.db2.gz SCZFGOQAWRXVAL-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cc(OC)no3)C2)C1=O ZINC000971380316 734493228 /nfs/dbraw/zinc/49/32/28/734493228.db2.gz HHTKZWRRZTWLRX-STQMWFEESA-N 1 1 348.403 0.616 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cncnc3)C2)C1=O ZINC000971394215 734506651 /nfs/dbraw/zinc/50/66/51/734506651.db2.gz NQKMRMPUKARDTB-CABCVRRESA-N 1 1 329.404 0.410 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H](C)COC)C[C@@H]32)nn1 ZINC001083217543 734562103 /nfs/dbraw/zinc/56/21/03/734562103.db2.gz DGRLTLQEMLDERP-VHDGCEQUSA-N 1 1 335.408 0.024 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+]([C@H](C)COC)C[C@@H]32)nn1 ZINC001083217543 734562107 /nfs/dbraw/zinc/56/21/07/734562107.db2.gz DGRLTLQEMLDERP-VHDGCEQUSA-N 1 1 335.408 0.024 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1)C1CCC1 ZINC001104352974 734595960 /nfs/dbraw/zinc/59/59/60/734595960.db2.gz MLUJUYRPYSNGOV-AWEZNQCLSA-N 1 1 344.419 0.154 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104354258 734612386 /nfs/dbraw/zinc/61/23/86/734612386.db2.gz XYNXSVGULJERFC-OAGGEKHMSA-N 1 1 349.479 0.185 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O ZINC001078183306 782446374 /nfs/dbraw/zinc/44/63/74/782446374.db2.gz LEGRMRNEZQPALA-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001078186910 782456383 /nfs/dbraw/zinc/45/63/83/782456383.db2.gz OJJSVTXSSNGTMJ-HUUCEWRRSA-N 1 1 328.372 0.686 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nncs2)C1 ZINC000971705095 734966219 /nfs/dbraw/zinc/96/62/19/734966219.db2.gz ZEDMJLWUQZOBBO-KBPBESRZSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nncs2)C1 ZINC000971705095 734966224 /nfs/dbraw/zinc/96/62/24/734966224.db2.gz ZEDMJLWUQZOBBO-KBPBESRZSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nc(C)no2)C1 ZINC000971704806 734966262 /nfs/dbraw/zinc/96/62/62/734966262.db2.gz YBDLGTLMGFSHIX-CABCVRRESA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nc(C)no2)C1 ZINC000971704806 734966265 /nfs/dbraw/zinc/96/62/65/734966265.db2.gz YBDLGTLMGFSHIX-CABCVRRESA-N 1 1 331.420 0.508 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001111489836 735013446 /nfs/dbraw/zinc/01/34/46/735013446.db2.gz MIZURERERZQBBZ-KFWWJZLASA-N 1 1 349.431 0.450 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000973181755 738873573 /nfs/dbraw/zinc/87/35/73/738873573.db2.gz ZUNDKDDHLPRBQE-JOCQHMNTSA-N 1 1 326.360 0.469 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC001098556064 735070134 /nfs/dbraw/zinc/07/01/34/735070134.db2.gz DRVYNZQQHCZBLO-UHFFFAOYSA-N 1 1 337.464 0.860 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817969 735123577 /nfs/dbraw/zinc/12/35/77/735123577.db2.gz LKCCYASIYTVARP-RYUDHWBXSA-N 1 1 339.827 0.831 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817969 735123580 /nfs/dbraw/zinc/12/35/80/735123580.db2.gz LKCCYASIYTVARP-RYUDHWBXSA-N 1 1 339.827 0.831 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2coc(CC)n2)C1 ZINC000973192865 738883657 /nfs/dbraw/zinc/88/36/57/738883657.db2.gz ITEMNBXEWHWEJX-YDHLFZDLSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2coc(CC)n2)C1 ZINC000973192865 738883662 /nfs/dbraw/zinc/88/36/62/738883662.db2.gz ITEMNBXEWHWEJX-YDHLFZDLSA-N 1 1 344.415 0.712 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000987931187 751348920 /nfs/dbraw/zinc/34/89/20/751348920.db2.gz SHCYARUAXVFGGP-ZIAGYGMSSA-N 1 1 343.431 0.759 20 30 ECEDMO CN1C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)NC1=O ZINC000972084489 735625503 /nfs/dbraw/zinc/62/55/03/735625503.db2.gz CQNVOOLUOZDNME-HZPDHXFCSA-N 1 1 341.415 0.615 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC000972089004 735630341 /nfs/dbraw/zinc/63/03/41/735630341.db2.gz TYXGYKKFMYHJOV-ZACQAIPSSA-N 1 1 345.443 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC000972089004 735630344 /nfs/dbraw/zinc/63/03/44/735630344.db2.gz TYXGYKKFMYHJOV-ZACQAIPSSA-N 1 1 345.443 0.180 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(C#N)ccc3F)C2)n1 ZINC000972116150 735661714 /nfs/dbraw/zinc/66/17/14/735661714.db2.gz NTGFZVVZRVNHKS-ZDUSSCGKSA-N 1 1 343.366 0.567 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(C#N)ccc3F)C2)n1 ZINC000972116150 735661718 /nfs/dbraw/zinc/66/17/18/735661718.db2.gz NTGFZVVZRVNHKS-ZDUSSCGKSA-N 1 1 343.366 0.567 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972205254 735782890 /nfs/dbraw/zinc/78/28/90/735782890.db2.gz CTBCFCBIEJLCJD-ZFWWWQNUSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972208309 735789676 /nfs/dbraw/zinc/78/96/76/735789676.db2.gz YKNXQKWTZJVTNQ-CABCVRRESA-N 1 1 327.388 0.272 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 ZINC000972405388 736130430 /nfs/dbraw/zinc/13/04/30/736130430.db2.gz OWLZGLJOJLDZJV-GOSISDBHSA-N 1 1 328.416 0.770 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 ZINC000972405388 736130431 /nfs/dbraw/zinc/13/04/31/736130431.db2.gz OWLZGLJOJLDZJV-GOSISDBHSA-N 1 1 328.416 0.770 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001078221133 782513869 /nfs/dbraw/zinc/51/38/69/782513869.db2.gz JOUHXTWPWQHCOD-OWCLPIDISA-N 1 1 337.464 0.761 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972410951 736145536 /nfs/dbraw/zinc/14/55/36/736145536.db2.gz YCKNNENUXZEGRD-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972410951 736145539 /nfs/dbraw/zinc/14/55/39/736145539.db2.gz YCKNNENUXZEGRD-YJBOKZPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972413816 736150319 /nfs/dbraw/zinc/15/03/19/736150319.db2.gz PZHXPDZANUDGRR-QGZVFWFLSA-N 1 1 342.403 0.846 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972413816 736150321 /nfs/dbraw/zinc/15/03/21/736150321.db2.gz PZHXPDZANUDGRR-QGZVFWFLSA-N 1 1 342.403 0.846 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C(=O)CCC)CC1 ZINC001098571002 736151474 /nfs/dbraw/zinc/15/14/74/736151474.db2.gz LFTMPGHELLGWMW-QGZVFWFLSA-N 1 1 349.475 0.696 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCC=C)CCO2 ZINC000972416255 736153749 /nfs/dbraw/zinc/15/37/49/736153749.db2.gz GKNFVSMDKJSCJZ-PKOBYXMFSA-N 1 1 331.460 0.963 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001098571512 736179300 /nfs/dbraw/zinc/17/93/00/736179300.db2.gz SESGFXIKUSHJJZ-CQSZACIVSA-N 1 1 333.436 0.312 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435331 736189848 /nfs/dbraw/zinc/18/98/48/736189848.db2.gz NREFVULCYQQZGV-GOSISDBHSA-N 1 1 346.431 0.906 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001098571803 736195191 /nfs/dbraw/zinc/19/51/91/736195191.db2.gz WVIZNLHDDWHHOZ-HNNXBMFYSA-N 1 1 347.463 0.702 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(CN(C)C)on3)C2)C1 ZINC000972443548 736207930 /nfs/dbraw/zinc/20/79/30/736207930.db2.gz IYAHEAPVTQUAOE-GOSISDBHSA-N 1 1 346.431 0.676 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(CN(C)C)on3)C2)C1 ZINC000972443548 736207932 /nfs/dbraw/zinc/20/79/32/736207932.db2.gz IYAHEAPVTQUAOE-GOSISDBHSA-N 1 1 346.431 0.676 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001041972523 782519186 /nfs/dbraw/zinc/51/91/86/782519186.db2.gz AAPLRUKLLQXKPU-CABCVRRESA-N 1 1 335.448 0.659 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C ZINC001041970552 782516217 /nfs/dbraw/zinc/51/62/17/782516217.db2.gz PCJBNUQBEADFKT-BXUZGUMPSA-N 1 1 325.376 0.494 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cncnc3)C2)C1 ZINC000972464272 736264384 /nfs/dbraw/zinc/26/43/84/736264384.db2.gz AVKXLFSTMNQDLU-GOSISDBHSA-N 1 1 328.416 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cncnc3)C2)C1 ZINC000972464272 736264388 /nfs/dbraw/zinc/26/43/88/736264388.db2.gz AVKXLFSTMNQDLU-GOSISDBHSA-N 1 1 328.416 0.736 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972479523 736302288 /nfs/dbraw/zinc/30/22/88/736302288.db2.gz BOANDMUOUPPXSD-AEFFLSMTSA-N 1 1 348.447 0.987 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972479517 736302514 /nfs/dbraw/zinc/30/25/14/736302514.db2.gz BCWMWFQIAXTPAZ-QGZVFWFLSA-N 1 1 331.372 0.319 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972479517 736302518 /nfs/dbraw/zinc/30/25/18/736302518.db2.gz BCWMWFQIAXTPAZ-QGZVFWFLSA-N 1 1 331.372 0.319 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNS(=O)(=O)CC)C1 ZINC001111768276 736327423 /nfs/dbraw/zinc/32/74/23/736327423.db2.gz ZTVFCWNCHUIDHE-ZFWWWQNUSA-N 1 1 329.466 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(COC)no3)C2)cn1 ZINC001022992869 736370394 /nfs/dbraw/zinc/37/03/94/736370394.db2.gz YOKWISZGHMAUAA-OKILXGFUSA-N 1 1 341.371 0.643 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H](C)OC2(CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC001098574869 736450404 /nfs/dbraw/zinc/45/04/04/736450404.db2.gz WDSPFVRKQSOVTM-KGLIPLIRSA-N 1 1 348.447 0.507 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 ZINC001098575253 736489197 /nfs/dbraw/zinc/48/91/97/736489197.db2.gz IJRSONOAUHNASG-UHFFFAOYSA-N 1 1 337.445 0.932 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513501 736509641 /nfs/dbraw/zinc/50/96/41/736509641.db2.gz HNRZOSNVEVMIEX-ROUUACIJSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513501 736509642 /nfs/dbraw/zinc/50/96/42/736509642.db2.gz HNRZOSNVEVMIEX-ROUUACIJSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC000972532263 736605653 /nfs/dbraw/zinc/60/56/53/736605653.db2.gz CPOIMGUGXPDDAK-LOIXOFCESA-N 1 1 340.811 0.260 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC000972532263 736605655 /nfs/dbraw/zinc/60/56/55/736605655.db2.gz CPOIMGUGXPDDAK-LOIXOFCESA-N 1 1 340.811 0.260 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnsn3)C2)C1=O ZINC001023250378 736616916 /nfs/dbraw/zinc/61/69/16/736616916.db2.gz GKCUOSNXSQJPMQ-GXTWGEPZSA-N 1 1 349.460 0.767 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001023297330 736660094 /nfs/dbraw/zinc/66/00/94/736660094.db2.gz JXFIRMOVTUILRF-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)C3=CCOCC3)C2)C1=O ZINC001023327775 736687504 /nfs/dbraw/zinc/68/75/04/736687504.db2.gz HUPXJBHRVYPKJV-RDJZCZTQSA-N 1 1 347.459 0.948 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(C)c3OC)[C@H]2C1 ZINC001083260321 736706164 /nfs/dbraw/zinc/70/61/64/736706164.db2.gz VKYRAUJBXLLFPH-LSDHHAIUSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cnnn3C)C2)C1=O ZINC001023344414 736716848 /nfs/dbraw/zinc/71/68/48/736716848.db2.gz OAIGCXFJBBNQOV-KGLIPLIRSA-N 1 1 346.435 0.044 20 30 ECEDMO C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 ZINC001100633651 736782630 /nfs/dbraw/zinc/78/26/30/736782630.db2.gz IBZLDDGENNMLLF-XUJLQICISA-N 1 1 333.436 0.517 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cnon2)C1 ZINC001023423683 736806190 /nfs/dbraw/zinc/80/61/90/736806190.db2.gz CVEPXGOLOPQEFJ-HOCLYGCPSA-N 1 1 331.420 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cnon2)C1 ZINC001023423683 736806191 /nfs/dbraw/zinc/80/61/91/736806191.db2.gz CVEPXGOLOPQEFJ-HOCLYGCPSA-N 1 1 331.420 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001023475093 736889525 /nfs/dbraw/zinc/88/95/25/736889525.db2.gz PHJTWJPMCBYZGF-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccncn3)C2)C1=O ZINC000972577016 736910885 /nfs/dbraw/zinc/91/08/85/736910885.db2.gz YPVGGVKMEIOQBK-UKRRQHHQSA-N 1 1 329.404 0.410 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001023495219 736917162 /nfs/dbraw/zinc/91/71/62/736917162.db2.gz WXISCMCYBMUAAE-ZDUSSCGKSA-N 1 1 326.404 0.828 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001023521371 736955299 /nfs/dbraw/zinc/95/52/99/736955299.db2.gz DQZSIJNCRRIEDK-CYBMUJFWSA-N 1 1 342.407 0.159 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CC=C)nn3)C2)C1 ZINC000972586066 736975361 /nfs/dbraw/zinc/97/53/61/736975361.db2.gz VLALXWDQHPBTCO-KRWDZBQOSA-N 1 1 329.404 0.404 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CC=C)nn3)C2)C1 ZINC000972586066 736975363 /nfs/dbraw/zinc/97/53/63/736975363.db2.gz VLALXWDQHPBTCO-KRWDZBQOSA-N 1 1 329.404 0.404 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001023558917 737009367 /nfs/dbraw/zinc/00/93/67/737009367.db2.gz XIHDVCZSPXCXPO-HUUCEWRRSA-N 1 1 329.448 0.772 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3n[nH]cc3F)C2)C1=O ZINC001023576286 737032520 /nfs/dbraw/zinc/03/25/20/737032520.db2.gz GVVLSBKBWAAKQM-OCCSQVGLSA-N 1 1 349.410 0.778 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972606274 737083087 /nfs/dbraw/zinc/08/30/87/737083087.db2.gz JJUKFZXZAQLVAH-MRXNPFEDSA-N 1 1 339.403 0.668 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972606274 737083090 /nfs/dbraw/zinc/08/30/90/737083090.db2.gz JJUKFZXZAQLVAH-MRXNPFEDSA-N 1 1 339.403 0.668 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)c(F)c1 ZINC000981971640 751386056 /nfs/dbraw/zinc/38/60/56/751386056.db2.gz IHGWCYSUDFDCDT-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)c(F)c1 ZINC000981971640 751386063 /nfs/dbraw/zinc/38/60/63/751386063.db2.gz IHGWCYSUDFDCDT-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC000972617668 737106259 /nfs/dbraw/zinc/10/62/59/737106259.db2.gz RQVQYIWIMZTOJI-GOSISDBHSA-N 1 1 346.431 0.513 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC000972617668 737106261 /nfs/dbraw/zinc/10/62/61/737106261.db2.gz RQVQYIWIMZTOJI-GOSISDBHSA-N 1 1 346.431 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001023629074 737112519 /nfs/dbraw/zinc/11/25/19/737112519.db2.gz NCQSFAMUDIBCMT-IXDOHACOSA-N 1 1 345.443 0.272 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001023629074 737112521 /nfs/dbraw/zinc/11/25/21/737112521.db2.gz NCQSFAMUDIBCMT-IXDOHACOSA-N 1 1 345.443 0.272 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)nn1 ZINC001023637046 737123022 /nfs/dbraw/zinc/12/30/22/737123022.db2.gz BPBHBGSQEYFBSV-CABCVRRESA-N 1 1 333.436 0.942 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001023643690 737132873 /nfs/dbraw/zinc/13/28/73/737132873.db2.gz DPHXHTDIEYHELE-ZIAGYGMSSA-N 1 1 329.466 0.425 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001023644708 737133369 /nfs/dbraw/zinc/13/33/69/737133369.db2.gz QVIRHXZZJWOSTG-HUUCEWRRSA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCOCCOC)CC1 ZINC001098579763 737139536 /nfs/dbraw/zinc/13/95/36/737139536.db2.gz MWUJMDAAZCYJQF-UHFFFAOYSA-N 1 1 326.437 0.348 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cnon3)C2)C1=O ZINC001023659465 737158948 /nfs/dbraw/zinc/15/89/48/737158948.db2.gz BWKVZOBVORHUSX-TZMCWYRMSA-N 1 1 333.392 0.298 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972632004 737170708 /nfs/dbraw/zinc/17/07/08/737170708.db2.gz PGNSOYSRNGFNBR-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972632004 737170710 /nfs/dbraw/zinc/17/07/10/737170710.db2.gz PGNSOYSRNGFNBR-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001023701544 737211974 /nfs/dbraw/zinc/21/19/74/737211974.db2.gz VCQVKGGICMMJDC-ZDUSSCGKSA-N 1 1 327.388 0.900 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001023700088 737218157 /nfs/dbraw/zinc/21/81/57/737218157.db2.gz BNMRUJYPMIJHFJ-AWEZNQCLSA-N 1 1 326.404 0.898 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@@H](C)O)CCO3)nc1 ZINC000972644539 737233377 /nfs/dbraw/zinc/23/33/77/737233377.db2.gz ZAVRACMIJJEBOM-KDOFPFPSSA-N 1 1 329.400 0.361 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@@H](C)O)CCO3)nc1 ZINC000972644539 737233380 /nfs/dbraw/zinc/23/33/80/737233380.db2.gz ZAVRACMIJJEBOM-KDOFPFPSSA-N 1 1 329.400 0.361 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2ccnc12 ZINC001114959361 737247560 /nfs/dbraw/zinc/24/75/60/737247560.db2.gz AZIGNNWDNMYLBL-FOLVSLTJSA-N 1 1 339.399 0.297 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2ccnc12 ZINC001114959361 737247563 /nfs/dbraw/zinc/24/75/63/737247563.db2.gz AZIGNNWDNMYLBL-FOLVSLTJSA-N 1 1 339.399 0.297 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972659972 737272019 /nfs/dbraw/zinc/27/20/19/737272019.db2.gz QVNVNZQSBVLCEN-CRAIPNDOSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972659972 737272023 /nfs/dbraw/zinc/27/20/23/737272023.db2.gz QVNVNZQSBVLCEN-CRAIPNDOSA-N 1 1 333.432 0.324 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 ZINC001098581688 737324431 /nfs/dbraw/zinc/32/44/31/737324431.db2.gz AGNUUMXFUJAEEN-UHFFFAOYSA-N 1 1 332.404 0.265 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001023766713 737335003 /nfs/dbraw/zinc/33/50/03/737335003.db2.gz XKDKIVFPHITPLW-LBPRGKRZSA-N 1 1 326.828 0.918 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001023766713 737335005 /nfs/dbraw/zinc/33/50/05/737335005.db2.gz XKDKIVFPHITPLW-LBPRGKRZSA-N 1 1 326.828 0.918 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972672766 737337580 /nfs/dbraw/zinc/33/75/80/737337580.db2.gz ABMRRHOKEMLTDI-SFHVURJKSA-N 1 1 333.432 0.326 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972672766 737337584 /nfs/dbraw/zinc/33/75/84/737337584.db2.gz ABMRRHOKEMLTDI-SFHVURJKSA-N 1 1 333.432 0.326 20 30 ECEDMO C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682547 737370895 /nfs/dbraw/zinc/37/08/95/737370895.db2.gz GJDLUNOZIOXINI-AEFFLSMTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682547 737370901 /nfs/dbraw/zinc/37/09/01/737370901.db2.gz GJDLUNOZIOXINI-AEFFLSMTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CN(CC)CCO3)C2)C1 ZINC000972682868 737372121 /nfs/dbraw/zinc/37/21/21/737372121.db2.gz JCMXDHMESOQKBP-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972689380 737388791 /nfs/dbraw/zinc/38/87/91/737388791.db2.gz WIGSISRGEQNAAG-YJBOKZPZSA-N 1 1 345.447 0.720 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972689380 737388795 /nfs/dbraw/zinc/38/87/95/737388795.db2.gz WIGSISRGEQNAAG-YJBOKZPZSA-N 1 1 345.447 0.720 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc(C)cn3)C2)C1 ZINC000972694663 737404105 /nfs/dbraw/zinc/40/41/05/737404105.db2.gz PDDUCHCMXPPAQP-SFHVURJKSA-N 1 1 330.432 0.908 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc(C)cn3)C2)C1 ZINC000972694663 737404106 /nfs/dbraw/zinc/40/41/06/737404106.db2.gz PDDUCHCMXPPAQP-SFHVURJKSA-N 1 1 330.432 0.908 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3cc(C)cn3)C2)C1 ZINC000972694662 737404298 /nfs/dbraw/zinc/40/42/98/737404298.db2.gz PDDUCHCMXPPAQP-GOSISDBHSA-N 1 1 330.432 0.908 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cc(C)cn3)C2)C1 ZINC000972694662 737404302 /nfs/dbraw/zinc/40/43/02/737404302.db2.gz PDDUCHCMXPPAQP-GOSISDBHSA-N 1 1 330.432 0.908 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001023858200 737443690 /nfs/dbraw/zinc/44/36/90/737443690.db2.gz JOINRXNEIMHXKM-UONOGXRCSA-N 1 1 331.420 0.638 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)no1 ZINC001023895813 737466262 /nfs/dbraw/zinc/46/62/62/737466262.db2.gz UHBBTHKTNICXKP-CHWSQXEVSA-N 1 1 335.408 0.746 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069993891 790288924 /nfs/dbraw/zinc/28/89/24/790288924.db2.gz UEAZWOYSTBVLMG-SJORKVTESA-N 1 1 349.398 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCN(CC)C3=O)C2)nc1 ZINC000972757034 737598012 /nfs/dbraw/zinc/59/80/12/737598012.db2.gz SLZWNKJTFHSECV-NVXWUHKLSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)cn1 ZINC000972756938 737598072 /nfs/dbraw/zinc/59/80/72/737598072.db2.gz QAXKDIRDHQGEAA-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 ZINC001098584000 737640811 /nfs/dbraw/zinc/64/08/11/737640811.db2.gz JRLHVXWMMCHQIW-UHFFFAOYSA-N 1 1 332.404 0.265 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)COC[C@H]2CCCO2)CC1 ZINC001098584311 737713758 /nfs/dbraw/zinc/71/37/58/737713758.db2.gz SQNSMZFQTQMXBN-MRXNPFEDSA-N 1 1 326.437 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000972835122 737759143 /nfs/dbraw/zinc/75/91/43/737759143.db2.gz OQPNPAVJHYBGIJ-HYVNUMGLSA-N 1 1 340.427 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000972835122 737759145 /nfs/dbraw/zinc/75/91/45/737759145.db2.gz OQPNPAVJHYBGIJ-HYVNUMGLSA-N 1 1 340.427 0.785 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001024278031 737878075 /nfs/dbraw/zinc/87/80/75/737878075.db2.gz ZVLWWBJBBDUGNQ-NVXWUHKLSA-N 1 1 346.475 0.048 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](n2ccnn2)C1 ZINC001069995173 790290983 /nfs/dbraw/zinc/29/09/83/790290983.db2.gz FINNMJKCOCIAFN-OLZOCXBDSA-N 1 1 330.396 0.326 20 30 ECEDMO C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001039727156 737892244 /nfs/dbraw/zinc/89/22/44/737892244.db2.gz YACXNQVJNYGACW-MAUKXSAKSA-N 1 1 337.464 0.905 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cn(C)nn2)C1=O ZINC001024420818 737955482 /nfs/dbraw/zinc/95/54/82/737955482.db2.gz UZXLJIDEAASEOB-UKRRQHHQSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cn(C)nn2)C1=O ZINC001024420818 737955486 /nfs/dbraw/zinc/95/54/86/737955486.db2.gz UZXLJIDEAASEOB-UKRRQHHQSA-N 1 1 346.435 0.186 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1 ZINC001098586949 738059439 /nfs/dbraw/zinc/05/94/39/738059439.db2.gz QUPSOUUGGPKOOT-HNNXBMFYSA-N 1 1 332.448 0.832 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2csnn2)C1=O ZINC001024578624 738125714 /nfs/dbraw/zinc/12/57/14/738125714.db2.gz YEZNASRAMVTSHX-JSGCOSHPSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2csnn2)C1=O ZINC001024578624 738125715 /nfs/dbraw/zinc/12/57/15/738125715.db2.gz YEZNASRAMVTSHX-JSGCOSHPSA-N 1 1 349.460 0.909 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccn2nnnc2c1 ZINC001087299167 738160484 /nfs/dbraw/zinc/16/04/84/738160484.db2.gz QTVFXOOZXVZNFC-VNQPRFMTSA-N 1 1 338.415 0.976 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001024626315 738181948 /nfs/dbraw/zinc/18/19/48/738181948.db2.gz CHXXJFRVBDTHCU-JKSUJKDBSA-N 1 1 341.415 0.710 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001024626315 738181951 /nfs/dbraw/zinc/18/19/51/738181951.db2.gz CHXXJFRVBDTHCU-JKSUJKDBSA-N 1 1 341.415 0.710 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001024666985 738207987 /nfs/dbraw/zinc/20/79/87/738207987.db2.gz AMUTZNDFHWIYBS-AWEZNQCLSA-N 1 1 330.432 0.959 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CCN([C@H](C)C(=O)NC)CC2)CC1 ZINC001006445549 751391745 /nfs/dbraw/zinc/39/17/45/751391745.db2.gz JGTZBSOAXQUUOG-OAHLLOKOSA-N 1 1 348.491 0.389 20 30 ECEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001024702076 738231277 /nfs/dbraw/zinc/23/12/77/738231277.db2.gz YURUGIWWMLGKCM-JZLYGMAVSA-N 1 1 334.420 0.521 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001024704516 738231718 /nfs/dbraw/zinc/23/17/18/738231718.db2.gz OBYWYNULKAVTQQ-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001024704516 738231719 /nfs/dbraw/zinc/23/17/19/738231719.db2.gz OBYWYNULKAVTQQ-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3nc4ncccn4n3)C(C)(C)[C@H]21 ZINC001087308850 738232001 /nfs/dbraw/zinc/23/20/01/738232001.db2.gz WUSZLCXDZTXOSZ-MCIONIFRSA-N 1 1 338.415 0.976 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001024731522 738255063 /nfs/dbraw/zinc/25/50/63/738255063.db2.gz JVZZKLPVAZMSKM-JKSUJKDBSA-N 1 1 345.447 0.922 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCn2cncn2)cn1 ZINC001024770906 738281825 /nfs/dbraw/zinc/28/18/25/738281825.db2.gz ZIXKLAUSPRGNQU-QGZVFWFLSA-N 1 1 338.415 0.939 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@H]21 ZINC001087317246 738283543 /nfs/dbraw/zinc/28/35/43/738283543.db2.gz FRASMOPKEDUKDE-DFBGVHRSSA-N 1 1 334.420 0.329 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@H]21 ZINC001087317248 738283649 /nfs/dbraw/zinc/28/36/49/738283649.db2.gz FRASMOPKEDUKDE-UGFHNGPFSA-N 1 1 334.420 0.329 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001024805363 738310803 /nfs/dbraw/zinc/31/08/03/738310803.db2.gz ABFJVTITYBIVJO-ZIAGYGMSSA-N 1 1 329.466 0.615 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)(F)F)C2)nn1 ZINC001098592157 738377114 /nfs/dbraw/zinc/37/71/14/738377114.db2.gz SAMAHVGCZNFUKW-CYBMUJFWSA-N 1 1 343.378 0.999 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025245726 738919505 /nfs/dbraw/zinc/91/95/05/738919505.db2.gz PSDZXHZAXOSXET-JKSUJKDBSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nccc(C)n2)C1 ZINC000973222255 738934680 /nfs/dbraw/zinc/93/46/80/738934680.db2.gz HJADRSAZICKRTA-KKUMJFAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nccc(C)n2)C1 ZINC000973222255 738934681 /nfs/dbraw/zinc/93/46/81/738934681.db2.gz HJADRSAZICKRTA-KKUMJFAQSA-N 1 1 341.415 0.260 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025259478 738944805 /nfs/dbraw/zinc/94/48/05/738944805.db2.gz PSRZAIFUCCJDIW-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)NC2CC2)nn1 ZINC001028187952 751419863 /nfs/dbraw/zinc/41/98/63/751419863.db2.gz RBFHEQVHGBYVFD-GXTWGEPZSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC2CC2)nn1 ZINC001028187952 751419865 /nfs/dbraw/zinc/41/98/65/751419865.db2.gz RBFHEQVHGBYVFD-GXTWGEPZSA-N 1 1 346.435 0.325 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2csnn2)C1 ZINC001006472246 751423652 /nfs/dbraw/zinc/42/36/52/751423652.db2.gz MQRUSJZROUFKLP-RISCZKNCSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2csnn2)C1 ZINC001006472246 751423655 /nfs/dbraw/zinc/42/36/55/751423655.db2.gz MQRUSJZROUFKLP-RISCZKNCSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nocc2C)C1 ZINC000973410807 739223932 /nfs/dbraw/zinc/22/39/32/739223932.db2.gz QRTDSPGIQCKZEN-IHRRRGAJSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nocc2C)C1 ZINC000973410807 739223934 /nfs/dbraw/zinc/22/39/34/739223934.db2.gz QRTDSPGIQCKZEN-IHRRRGAJSA-N 1 1 330.388 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O ZINC000981994902 751433095 /nfs/dbraw/zinc/43/30/95/751433095.db2.gz VXIGBZDQJPEMIW-IKGGRYGDSA-N 1 1 347.459 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O ZINC000981994902 751433100 /nfs/dbraw/zinc/43/31/00/751433100.db2.gz VXIGBZDQJPEMIW-IKGGRYGDSA-N 1 1 347.459 0.899 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cncn2C)nn1 ZINC001028192809 751433144 /nfs/dbraw/zinc/43/31/44/751433144.db2.gz QSZNKVCGHBHLCS-AWEZNQCLSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cncn2C)nn1 ZINC001028192809 751433149 /nfs/dbraw/zinc/43/31/49/751433149.db2.gz QSZNKVCGHBHLCS-AWEZNQCLSA-N 1 1 343.435 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnon2)C1 ZINC000982000087 751440119 /nfs/dbraw/zinc/44/01/19/751440119.db2.gz ZGTMAPOFPVHICV-GUTXKFCHSA-N 1 1 345.403 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnon2)C1 ZINC000982000087 751440122 /nfs/dbraw/zinc/44/01/22/751440122.db2.gz ZGTMAPOFPVHICV-GUTXKFCHSA-N 1 1 345.403 0.182 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)C1=O ZINC000982000761 751440751 /nfs/dbraw/zinc/44/07/51/751440751.db2.gz UYBNKBNCQYNRBF-OWCLPIDISA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)C1=O ZINC000982000761 751440754 /nfs/dbraw/zinc/44/07/54/751440754.db2.gz UYBNKBNCQYNRBF-OWCLPIDISA-N 1 1 335.448 0.875 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001025470486 739626210 /nfs/dbraw/zinc/62/62/10/739626210.db2.gz YJHDGYFQFBSKPH-HOTGVXAUSA-N 1 1 345.443 0.958 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001025545961 739707172 /nfs/dbraw/zinc/70/71/72/739707172.db2.gz NIZFLUALPKTKBM-OLZOCXBDSA-N 1 1 334.420 0.100 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001025593267 739754753 /nfs/dbraw/zinc/75/47/53/739754753.db2.gz AKUXDDYOHKDCFD-QWHCGFSZSA-N 1 1 342.403 0.271 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025618025 739780287 /nfs/dbraw/zinc/78/02/87/739780287.db2.gz HYIPULOLKHPQME-CHWSQXEVSA-N 1 1 334.420 0.892 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCOC2)C1=O ZINC001025705866 739885317 /nfs/dbraw/zinc/88/53/17/739885317.db2.gz FEMVXNAOBKNXLQ-AALSBFMBSA-N 1 1 333.432 0.246 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058659252 739913225 /nfs/dbraw/zinc/91/32/25/739913225.db2.gz VWQGGVOWHSZBEL-HUUCEWRRSA-N 1 1 338.452 0.346 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CCC2)C[C@H]1C(F)(F)F ZINC001112031443 739918750 /nfs/dbraw/zinc/91/87/50/739918750.db2.gz KQRTZDGFNLYKTO-GHMZBOCLSA-N 1 1 332.326 0.405 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2(c3cc(C)no3)CC2)[C@@H](n2ccnn2)C1 ZINC001070006378 790306378 /nfs/dbraw/zinc/30/63/78/790306378.db2.gz SKTHTRJVPHTJJM-KGLIPLIRSA-N 1 1 342.403 0.834 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(c3cc(C)no3)CC2)[C@@H](n2ccnn2)C1 ZINC001070006378 790306384 /nfs/dbraw/zinc/30/63/84/790306384.db2.gz SKTHTRJVPHTJJM-KGLIPLIRSA-N 1 1 342.403 0.834 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)nc1 ZINC000988092901 751523067 /nfs/dbraw/zinc/52/30/67/751523067.db2.gz VALOFRXNMQSCJG-BMFZPTHFSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(N)=O)n3)[C@H]2C1 ZINC001083287275 740251080 /nfs/dbraw/zinc/25/10/80/740251080.db2.gz ABBYNSMOZSAOKP-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001026101897 740376883 /nfs/dbraw/zinc/37/68/83/740376883.db2.gz RKTKZGDEBKBMIF-IJOLSIAMSA-N 1 1 333.432 0.245 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCCO)nn1 ZINC001087392722 740422435 /nfs/dbraw/zinc/42/24/35/740422435.db2.gz KTUIDXLPBLLDTE-MPTYRVRUSA-N 1 1 345.447 0.629 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@]3(C)CCCS3(=O)=O)C2)C1 ZINC000982067950 751547674 /nfs/dbraw/zinc/54/76/74/751547674.db2.gz VBLOLWSTMSORBX-INIZCTEOSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@]3(C)CCCS3(=O)=O)C2)C1 ZINC000982067950 751547676 /nfs/dbraw/zinc/54/76/76/751547676.db2.gz VBLOLWSTMSORBX-INIZCTEOSA-N 1 1 338.473 0.901 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccnc(C#N)n2)C1 ZINC001104794512 740515154 /nfs/dbraw/zinc/51/51/54/740515154.db2.gz JFPYMGNXZOHXQS-UONOGXRCSA-N 1 1 346.435 0.138 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccnc(C#N)n2)C1 ZINC001104794512 740515158 /nfs/dbraw/zinc/51/51/58/740515158.db2.gz JFPYMGNXZOHXQS-UONOGXRCSA-N 1 1 346.435 0.138 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2nccnc2C#N)C1 ZINC001104794678 740515821 /nfs/dbraw/zinc/51/58/21/740515821.db2.gz KUUMXPJPQVPHCL-ZFWWWQNUSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2nccnc2C#N)C1 ZINC001104794678 740515826 /nfs/dbraw/zinc/51/58/26/740515826.db2.gz KUUMXPJPQVPHCL-ZFWWWQNUSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2cncc(C#N)n2)C1 ZINC001104795647 740516329 /nfs/dbraw/zinc/51/63/29/740516329.db2.gz WGNINBXTQZCEIN-ZFWWWQNUSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2cncc(C#N)n2)C1 ZINC001104795647 740516334 /nfs/dbraw/zinc/51/63/34/740516334.db2.gz WGNINBXTQZCEIN-ZFWWWQNUSA-N 1 1 346.435 0.716 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3snnc3C)C2)nn1 ZINC001098608353 740577522 /nfs/dbraw/zinc/57/75/22/740577522.db2.gz UCPPMRMYDWTMKB-LBPRGKRZSA-N 1 1 333.421 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn(C)nc2C)C1 ZINC000973956191 740670203 /nfs/dbraw/zinc/67/02/03/740670203.db2.gz OJLXXBGRGRVYJY-LZWOXQAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn(C)nc2C)C1 ZINC000973956191 740670207 /nfs/dbraw/zinc/67/02/07/740670207.db2.gz OJLXXBGRGRVYJY-LZWOXQAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccnc(C#N)n1 ZINC001104862697 740749452 /nfs/dbraw/zinc/74/94/52/740749452.db2.gz PQFVQAGCKBPTMA-KGLIPLIRSA-N 1 1 326.404 0.127 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccnc(C#N)n1 ZINC001104862697 740749454 /nfs/dbraw/zinc/74/94/54/740749454.db2.gz PQFVQAGCKBPTMA-KGLIPLIRSA-N 1 1 326.404 0.127 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cccc(-n4cncn4)n3)C2)C1 ZINC000982094036 751579429 /nfs/dbraw/zinc/57/94/29/751579429.db2.gz YUCARCXFJBJSBP-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H](C)O2 ZINC001098611092 740869419 /nfs/dbraw/zinc/86/94/19/740869419.db2.gz XCNBZXGSMZFKLR-UONOGXRCSA-N 1 1 344.477 0.687 20 30 ECEDMO CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001104914700 740914792 /nfs/dbraw/zinc/91/47/92/740914792.db2.gz CCERAHFHNYUERG-UONOGXRCSA-N 1 1 330.436 0.807 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC000982103104 751592171 /nfs/dbraw/zinc/59/21/71/751592171.db2.gz JHEPUZOYONOXAO-UHFFFAOYSA-N 1 1 348.447 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC(=O)N1CCCCC1 ZINC001038365715 741011214 /nfs/dbraw/zinc/01/12/14/741011214.db2.gz CDZPCPLFXRKSER-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC(=O)N1CCCCC1 ZINC001038365715 741011216 /nfs/dbraw/zinc/01/12/16/741011216.db2.gz CDZPCPLFXRKSER-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000974151551 741012873 /nfs/dbraw/zinc/01/28/73/741012873.db2.gz QPMBCSYRRCDECX-QXSJWSMHSA-N 1 1 346.431 0.936 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1cnnn1CC ZINC001038366325 741068481 /nfs/dbraw/zinc/06/84/81/741068481.db2.gz GVEJEEGEVAVZTH-HOCLYGCPSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1cnnn1CC ZINC001038366325 741068482 /nfs/dbraw/zinc/06/84/82/741068482.db2.gz GVEJEEGEVAVZTH-HOCLYGCPSA-N 1 1 330.436 0.086 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCO)C2)nc1 ZINC001087405410 741119196 /nfs/dbraw/zinc/11/91/96/741119196.db2.gz IKBHGUKFMFJVPY-OVWQWFNUSA-N 1 1 325.412 0.838 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)nc1 ZINC001087406191 741158049 /nfs/dbraw/zinc/15/80/49/741158049.db2.gz VEUPONNCLXVOJC-HWMZRRJGSA-N 1 1 338.411 0.331 20 30 ECEDMO C=CCn1cc(C(=O)NC2CCC([NH2+]Cc3nc(C)no3)CC2)nn1 ZINC001026573522 741569414 /nfs/dbraw/zinc/56/94/14/741569414.db2.gz IGHHYKBQQSTFKQ-UHFFFAOYSA-N 1 1 345.407 0.986 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000974405874 741585220 /nfs/dbraw/zinc/58/52/20/741585220.db2.gz QPHHEPAPNWAUSI-KKBVYLPWSA-N 1 1 340.427 0.638 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cnccc3OC)C2)nn1 ZINC001105268803 741610080 /nfs/dbraw/zinc/61/00/80/741610080.db2.gz ZOZYBKYPJVIUKH-UHFFFAOYSA-N 1 1 342.403 0.583 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)nn1 ZINC001105268507 741610775 /nfs/dbraw/zinc/61/07/75/741610775.db2.gz QHURMIWIBDPUCR-DOTOQJQBSA-N 1 1 344.463 0.954 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cn3nc(C)cc3C)C2)nn1 ZINC001105278909 741635416 /nfs/dbraw/zinc/63/54/16/741635416.db2.gz YSMQTQBWLRDNFX-UHFFFAOYSA-N 1 1 329.408 0.451 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4n(n3)CCCO4)C2)nn1 ZINC001105281023 741639865 /nfs/dbraw/zinc/63/98/65/741639865.db2.gz PZRBYBWTRBNARL-UHFFFAOYSA-N 1 1 343.391 0.230 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)nn1 ZINC001105297086 741673935 /nfs/dbraw/zinc/67/39/35/741673935.db2.gz GXHWCIQLXKQQTN-UHFFFAOYSA-N 1 1 343.391 0.363 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001058728266 741690815 /nfs/dbraw/zinc/69/08/15/741690815.db2.gz OCLUUSMBCMUXPT-KRWDZBQOSA-N 1 1 327.469 0.868 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1ccc(C#N)nn1)C(C)C ZINC001105301852 741692580 /nfs/dbraw/zinc/69/25/80/741692580.db2.gz ZAOGVBHCDNDRKI-HOTGVXAUSA-N 1 1 340.431 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1ccc(C#N)nn1)C(C)C ZINC001105301852 741692584 /nfs/dbraw/zinc/69/25/84/741692584.db2.gz ZAOGVBHCDNDRKI-HOTGVXAUSA-N 1 1 340.431 0.999 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001026710226 741694150 /nfs/dbraw/zinc/69/41/50/741694150.db2.gz JSLDDFIKISLDQD-UONOGXRCSA-N 1 1 331.420 0.557 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)COc3cccc(C(N)=O)c3)C2)C1 ZINC000982161190 751668395 /nfs/dbraw/zinc/66/83/95/751668395.db2.gz JFUCNWRUTPVNIC-UHFFFAOYSA-N 1 1 341.411 0.722 20 30 ECEDMO CN(C)c1noc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001026788419 741832095 /nfs/dbraw/zinc/83/20/95/741832095.db2.gz IWQLEUZKAZPFQX-NSHDSACASA-N 1 1 343.391 0.587 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)CC1 ZINC001087413237 741926360 /nfs/dbraw/zinc/92/63/60/741926360.db2.gz AEYSFBXFNCEFQW-RDGPPVDQSA-N 1 1 345.487 0.493 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)CC1 ZINC001087413237 741926361 /nfs/dbraw/zinc/92/63/61/741926361.db2.gz AEYSFBXFNCEFQW-RDGPPVDQSA-N 1 1 345.487 0.493 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC001026835097 741931638 /nfs/dbraw/zinc/93/16/38/741931638.db2.gz PXHVZMAWZMOHBE-AWEZNQCLSA-N 1 1 332.404 0.610 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974766488 742155782 /nfs/dbraw/zinc/15/57/82/742155782.db2.gz HVOAMLPUVLDNCS-LBPRGKRZSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cccnn2)C1 ZINC001006703094 751701826 /nfs/dbraw/zinc/70/18/26/751701826.db2.gz DTERSWRJNLLNND-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cccnn2)C1 ZINC001006703094 751701830 /nfs/dbraw/zinc/70/18/30/751701830.db2.gz DTERSWRJNLLNND-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cncn3C)C(C)(C)C2)C1=O ZINC000974772314 742165956 /nfs/dbraw/zinc/16/59/56/742165956.db2.gz FCKDZRDKZYCCHM-DZGCQCFKSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cncn3C)C(C)(C)C2)C1=O ZINC000974772314 742165959 /nfs/dbraw/zinc/16/59/59/742165959.db2.gz FCKDZRDKZYCCHM-DZGCQCFKSA-N 1 1 345.447 0.647 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C(C)(C)C1 ZINC000974793240 742183353 /nfs/dbraw/zinc/18/33/53/742183353.db2.gz LWRDACHSENPOTJ-AWEZNQCLSA-N 1 1 342.403 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC2(C)C)cc1 ZINC000974928042 742368865 /nfs/dbraw/zinc/36/88/65/742368865.db2.gz AYNQFEQLQAENDI-JKSUJKDBSA-N 1 1 325.412 0.997 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC2(C)C)cc1 ZINC000974928042 742368869 /nfs/dbraw/zinc/36/88/69/742368869.db2.gz AYNQFEQLQAENDI-JKSUJKDBSA-N 1 1 325.412 0.997 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@@H](C(N)=O)C3)C2)nn1 ZINC001105337149 742427445 /nfs/dbraw/zinc/42/74/45/742427445.db2.gz UBNCNMYQIRTFCZ-OLZOCXBDSA-N 1 1 346.435 0.229 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)CC2(C)C)C1 ZINC000975032489 742464006 /nfs/dbraw/zinc/46/40/06/742464006.db2.gz YGNPNFWZHWEKGD-ZDUSSCGKSA-N 1 1 348.447 0.721 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000982236444 751747227 /nfs/dbraw/zinc/74/72/27/751747227.db2.gz JHVLDZYVXRFGTH-HJSHSUPBSA-N 1 1 332.404 0.122 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC000975361268 742752366 /nfs/dbraw/zinc/75/23/66/742752366.db2.gz MNAIAGBOLRAVIE-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC000975361268 742752369 /nfs/dbraw/zinc/75/23/69/742752369.db2.gz MNAIAGBOLRAVIE-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC001028935483 742915274 /nfs/dbraw/zinc/91/52/74/742915274.db2.gz DQXMMWUJUDHAKA-CJNGLKHVSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028935694 742915516 /nfs/dbraw/zinc/91/55/16/742915516.db2.gz JZONNDYBDYAGHL-MNOVXSKESA-N 1 1 330.226 0.612 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028935694 742915523 /nfs/dbraw/zinc/91/55/23/742915523.db2.gz JZONNDYBDYAGHL-MNOVXSKESA-N 1 1 330.226 0.612 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnnn3CC)C2)cn1 ZINC001028940842 742938427 /nfs/dbraw/zinc/93/84/27/742938427.db2.gz QITAZFFSPOKMIY-CQSZACIVSA-N 1 1 338.415 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3cnnn3CC)C2)cn1 ZINC001028940842 742938432 /nfs/dbraw/zinc/93/84/32/742938432.db2.gz QITAZFFSPOKMIY-CQSZACIVSA-N 1 1 338.415 0.926 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000988288966 751788947 /nfs/dbraw/zinc/78/89/47/751788947.db2.gz VTOXXUFDIBAHCG-CHWSQXEVSA-N 1 1 347.419 0.816 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001027191271 743079602 /nfs/dbraw/zinc/07/96/02/743079602.db2.gz JRLPRCPSVAKDEU-CQSZACIVSA-N 1 1 338.415 0.372 20 30 ECEDMO O=C([C@H]1COC(=O)N1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075752580 743108509 /nfs/dbraw/zinc/10/85/09/743108509.db2.gz GWILCNZXHFQRGW-GVDBMIGSSA-N 1 1 339.395 0.679 20 30 ECEDMO O=C([C@H]1COC(=O)N1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075752580 743108515 /nfs/dbraw/zinc/10/85/15/743108515.db2.gz GWILCNZXHFQRGW-GVDBMIGSSA-N 1 1 339.395 0.679 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(CC(=O)N3CCC3)C2)CC1 ZINC001029002729 743157232 /nfs/dbraw/zinc/15/72/32/743157232.db2.gz XTOZTIHQDZDLHQ-INIZCTEOSA-N 1 1 346.475 0.002 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21 ZINC000975766339 743294457 /nfs/dbraw/zinc/29/44/57/743294457.db2.gz XWDOFDMVAXNUCQ-YDHLFZDLSA-N 1 1 329.404 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C(F)F)[C@H]2C1 ZINC000975775724 743313444 /nfs/dbraw/zinc/31/34/44/743313444.db2.gz NPMSKMJQAHFVEQ-IHRRRGAJSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C(F)F)[C@H]2C1 ZINC000975775724 743313453 /nfs/dbraw/zinc/31/34/53/743313453.db2.gz NPMSKMJQAHFVEQ-IHRRRGAJSA-N 1 1 339.386 0.799 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000997245315 743402347 /nfs/dbraw/zinc/40/23/47/743402347.db2.gz DHCVUEPFTFZFSP-HNNXBMFYSA-N 1 1 339.439 0.879 20 30 ECEDMO C[NH+]=C(NCc1cn[nH]c1C)N[C@H]1CCc2nc(COC)nn2C1 ZINC000262026508 743492567 /nfs/dbraw/zinc/49/25/67/743492567.db2.gz ZUOBCMAAMHWFMF-LBPRGKRZSA-N 1 1 332.412 0.136 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000997331129 743497278 /nfs/dbraw/zinc/49/72/78/743497278.db2.gz IIBUIXJXEHGHMJ-HNNXBMFYSA-N 1 1 325.412 0.950 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([NH2+][C@@H]3CCCNC3=O)CC2)CC1 ZINC000997364997 743536084 /nfs/dbraw/zinc/53/60/84/743536084.db2.gz PGYRTGOZYDOMMI-QGZVFWFLSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([NH2+][C@H]3CCCNC3=O)CC2)CC1 ZINC000997364995 743536226 /nfs/dbraw/zinc/53/62/26/743536226.db2.gz PGYRTGOZYDOMMI-KRWDZBQOSA-N 1 1 346.475 0.191 20 30 ECEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)C[N@@H+](CC(=O)N1CCC1)C2 ZINC000982277654 751846515 /nfs/dbraw/zinc/84/65/15/751846515.db2.gz SBWJYTNHRCVBTP-KDURUIRLSA-N 1 1 329.444 0.803 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)C1=O ZINC000982278967 751850487 /nfs/dbraw/zinc/85/04/87/751850487.db2.gz VDCPLAPSXAPYJR-ZYSHUDEJSA-N 1 1 329.444 0.801 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)O1 ZINC000997828215 743840575 /nfs/dbraw/zinc/84/05/75/743840575.db2.gz TXQDDEFMHZAGDL-FMPTWSOUSA-N 1 1 345.443 0.367 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)O1 ZINC000997828215 743840579 /nfs/dbraw/zinc/84/05/79/743840579.db2.gz TXQDDEFMHZAGDL-FMPTWSOUSA-N 1 1 345.443 0.367 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000976407383 743917386 /nfs/dbraw/zinc/91/73/86/743917386.db2.gz HRUGSBRBXFKVEF-ZYIUAKIQSA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000998046244 743946630 /nfs/dbraw/zinc/94/66/30/743946630.db2.gz NUIMLLYUNSDFLO-HUUCEWRRSA-N 1 1 345.447 0.882 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000998055202 743951479 /nfs/dbraw/zinc/95/14/79/743951479.db2.gz ZLASDGCEKAEPPN-CQSZACIVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC1(F)F ZINC000976460767 743971889 /nfs/dbraw/zinc/97/18/89/743971889.db2.gz IIHDHTVZKVPBNA-BJJPWKGXSA-N 1 1 337.370 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC1(F)F ZINC000976460767 743971891 /nfs/dbraw/zinc/97/18/91/743971891.db2.gz IIHDHTVZKVPBNA-BJJPWKGXSA-N 1 1 337.370 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000998142923 744002297 /nfs/dbraw/zinc/00/22/97/744002297.db2.gz NXYWOMXLULYYMH-AWEZNQCLSA-N 1 1 346.431 0.034 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000998153425 744010180 /nfs/dbraw/zinc/01/01/80/744010180.db2.gz DUBFBZCWBXHFDT-TXKKKEFDSA-N 1 1 346.431 0.311 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cc1 ZINC001078243423 782545680 /nfs/dbraw/zinc/54/56/80/782545680.db2.gz KKIASQOHRCWHNR-IAGOWNOFSA-N 1 1 334.416 0.338 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)nc1 ZINC000976540872 744081692 /nfs/dbraw/zinc/08/16/92/744081692.db2.gz OVCRNJKZMQOQRO-AIANPOQGSA-N 1 1 338.411 0.201 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC000976581366 744107102 /nfs/dbraw/zinc/10/71/02/744107102.db2.gz GFDOLCHTEWSKNK-DOEOUOAPSA-N 1 1 341.455 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(CC)c2C)C1 ZINC000998303508 744109540 /nfs/dbraw/zinc/10/95/40/744109540.db2.gz XRUHQKIOOHSMEJ-INIZCTEOSA-N 1 1 343.431 0.250 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(CC)c2C)C1 ZINC000998303508 744109541 /nfs/dbraw/zinc/10/95/41/744109541.db2.gz XRUHQKIOOHSMEJ-INIZCTEOSA-N 1 1 343.431 0.250 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001058772377 744144680 /nfs/dbraw/zinc/14/46/80/744144680.db2.gz OUBUMDYXJNCACI-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+](C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)CCO1 ZINC001027408775 744226839 /nfs/dbraw/zinc/22/68/39/744226839.db2.gz XRLLFINSLOKLEV-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)CCO1 ZINC001027408775 744226842 /nfs/dbraw/zinc/22/68/42/744226842.db2.gz XRLLFINSLOKLEV-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)/C=C\C3CC3)C[C@H]21 ZINC000976738238 744264237 /nfs/dbraw/zinc/26/42/37/744264237.db2.gz CYMGLRUBXNDKDC-SPESNMAGSA-N 1 1 327.428 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)/C=C\C3CC3)C[C@H]21 ZINC000976738238 744264241 /nfs/dbraw/zinc/26/42/41/744264241.db2.gz CYMGLRUBXNDKDC-SPESNMAGSA-N 1 1 327.428 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](CC)SC)C[C@H]21 ZINC000976741107 744276852 /nfs/dbraw/zinc/27/68/52/744276852.db2.gz OQCPPBAOXMYHDG-ZVDSWSACSA-N 1 1 349.500 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](CC)SC)C[C@H]21 ZINC000976741107 744276853 /nfs/dbraw/zinc/27/68/53/744276853.db2.gz OQCPPBAOXMYHDG-ZVDSWSACSA-N 1 1 349.500 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC000998690542 744285668 /nfs/dbraw/zinc/28/56/68/744285668.db2.gz RCQMYSARGADTQI-MSOLQXFVSA-N 1 1 337.423 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC000998690542 744285672 /nfs/dbraw/zinc/28/56/72/744285672.db2.gz RCQMYSARGADTQI-MSOLQXFVSA-N 1 1 337.423 0.751 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001027431839 744372713 /nfs/dbraw/zinc/37/27/13/744372713.db2.gz MZHBOEAPGHLCBB-CVEARBPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nocc2C)C1=O ZINC001028248186 751914795 /nfs/dbraw/zinc/91/47/95/751914795.db2.gz GFEGKRAZTPKFOV-ZIAGYGMSSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nocc2C)C1=O ZINC001028248186 751914800 /nfs/dbraw/zinc/91/48/00/751914800.db2.gz GFEGKRAZTPKFOV-ZIAGYGMSSA-N 1 1 332.404 0.964 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000999132562 744526902 /nfs/dbraw/zinc/52/69/02/744526902.db2.gz GSTBKCWWLKHKJR-HNNXBMFYSA-N 1 1 330.436 0.967 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@H]32)CC1 ZINC000977127371 744687097 /nfs/dbraw/zinc/68/70/97/744687097.db2.gz WRBXVHJQFOZWHC-VVLHAWIVSA-N 1 1 347.459 0.636 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@H]32)CC1 ZINC000977127371 744687100 /nfs/dbraw/zinc/68/71/00/744687100.db2.gz WRBXVHJQFOZWHC-VVLHAWIVSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001027473172 744692497 /nfs/dbraw/zinc/69/24/97/744692497.db2.gz GTDGLLWDOVZXCR-CYBMUJFWSA-N 1 1 328.376 0.489 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@H]32)c1 ZINC000977159472 744727685 /nfs/dbraw/zinc/72/76/85/744727685.db2.gz XYTPGNMSYUUECR-VQFNDLOPSA-N 1 1 349.394 0.455 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000977300460 744846161 /nfs/dbraw/zinc/84/61/61/744846161.db2.gz FPDUCRKEAABKSY-CQSZACIVSA-N 1 1 348.451 0.582 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001027508423 744864267 /nfs/dbraw/zinc/86/42/67/744864267.db2.gz ZXZCFSNWIWBOAA-UONOGXRCSA-N 1 1 329.391 0.508 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 ZINC000999876653 744984657 /nfs/dbraw/zinc/98/46/57/744984657.db2.gz INAIMTKLXHKGTR-SFHVURJKSA-N 1 1 335.423 0.939 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc[n+]([O-])cc3)nn2)C1 ZINC000999938790 745071657 /nfs/dbraw/zinc/07/16/57/745071657.db2.gz NUCILUKJZFTNIG-HNNXBMFYSA-N 1 1 328.376 0.274 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)on3)nn2)C1 ZINC000999942318 745076400 /nfs/dbraw/zinc/07/64/00/745076400.db2.gz GGAPCADVFSALFC-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)C3CCOCC3)nn2)C1 ZINC000999945052 745078699 /nfs/dbraw/zinc/07/86/99/745078699.db2.gz RJCFPEZMUGTNCU-INIZCTEOSA-N 1 1 331.420 0.591 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)cn3)nn2)C1 ZINC000999954552 745094091 /nfs/dbraw/zinc/09/40/91/745094091.db2.gz ZXYJWUJWCMEGKQ-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3=COCCC3)nn2)C1 ZINC000999960622 745102970 /nfs/dbraw/zinc/10/29/70/745102970.db2.gz DDKFVXSHGPEJDK-MRXNPFEDSA-N 1 1 329.404 0.859 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)nn3C)nn2)C1 ZINC000999961076 745103143 /nfs/dbraw/zinc/10/31/43/745103143.db2.gz GPHZMZIZHLGVDR-CQSZACIVSA-N 1 1 327.392 0.130 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 ZINC000999962880 745106193 /nfs/dbraw/zinc/10/61/93/745106193.db2.gz NMTPNCAMVBFRKK-JSGCOSHPSA-N 1 1 339.827 0.930 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 ZINC000999962880 745106196 /nfs/dbraw/zinc/10/61/96/745106196.db2.gz NMTPNCAMVBFRKK-JSGCOSHPSA-N 1 1 339.827 0.930 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cccc(=O)[nH]3)nn2)C1 ZINC000999969415 745114827 /nfs/dbraw/zinc/11/48/27/745114827.db2.gz CGVWGXFAASNMEZ-ZDUSSCGKSA-N 1 1 328.376 0.742 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)n(C)n3)nn2)C1 ZINC000999969133 745114874 /nfs/dbraw/zinc/11/48/74/745114874.db2.gz VMRBBZVUHGKXQB-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001059198083 745115542 /nfs/dbraw/zinc/11/55/42/745115542.db2.gz KRKVLHBSKZVIFG-AWEZNQCLSA-N 1 1 349.460 0.803 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncc(F)c3)nn2)C1 ZINC000999973305 745122191 /nfs/dbraw/zinc/12/21/91/745122191.db2.gz YUIGBEGLCFLZMA-HNNXBMFYSA-N 1 1 328.351 0.622 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)CC2(C)C)cn1 ZINC000977511032 745129790 /nfs/dbraw/zinc/12/97/90/745129790.db2.gz HSHGSJHSRSVNBS-LSDHHAIUSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)cn1 ZINC000977511032 745129792 /nfs/dbraw/zinc/12/97/92/745129792.db2.gz HSHGSJHSRSVNBS-LSDHHAIUSA-N 1 1 328.416 0.767 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(F)cn3)nn2)C1 ZINC000999986496 745140188 /nfs/dbraw/zinc/14/01/88/745140188.db2.gz SXGKTJCYPCGLMI-AWEZNQCLSA-N 1 1 328.351 0.622 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC(=O)N(C)C3)nn2)C1 ZINC000999986669 745140759 /nfs/dbraw/zinc/14/07/59/745140759.db2.gz JVBQTJRICQFOJE-ZFWWWQNUSA-N 1 1 346.435 0.196 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC2(C)C)nc1 ZINC000977523472 745142049 /nfs/dbraw/zinc/14/20/49/745142049.db2.gz JAQBQPRMYPALSN-JKSUJKDBSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC2(C)C)nc1 ZINC000977523472 745142052 /nfs/dbraw/zinc/14/20/52/745142052.db2.gz JAQBQPRMYPALSN-JKSUJKDBSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C(C)(C)C1 ZINC000977525327 745144392 /nfs/dbraw/zinc/14/43/92/745144392.db2.gz JHYCTQOLDAIQDR-CQSZACIVSA-N 1 1 325.372 0.804 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C(C)(C)C1 ZINC000977525327 745144396 /nfs/dbraw/zinc/14/43/96/745144396.db2.gz JHYCTQOLDAIQDR-CQSZACIVSA-N 1 1 325.372 0.804 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]c(=O)[nH]c3C)nn2)C1 ZINC000999990229 745146191 /nfs/dbraw/zinc/14/61/91/745146191.db2.gz HGEIRNCKEBXOJH-CYBMUJFWSA-N 1 1 345.407 0.768 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000977528129 745148047 /nfs/dbraw/zinc/14/80/47/745148047.db2.gz UZNCCUBSKOYFES-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000977528129 745148050 /nfs/dbraw/zinc/14/80/50/745148050.db2.gz UZNCCUBSKOYFES-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc[nH]c3CC)nn2)C1 ZINC000999991276 745148608 /nfs/dbraw/zinc/14/86/08/745148608.db2.gz MNUFZFRFCFJLBN-CQSZACIVSA-N 1 1 326.404 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(F)cncc3F)nn2)C1 ZINC000999993221 745150870 /nfs/dbraw/zinc/15/08/70/745150870.db2.gz RHKCPBCKGLLLBV-GFCCVEGCSA-N 1 1 346.341 0.761 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccsn3)nn2)C1 ZINC000999999166 745159948 /nfs/dbraw/zinc/15/99/48/745159948.db2.gz XKCVQGIKOHGOPK-ZDUSSCGKSA-N 1 1 330.417 0.935 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]c4c3CCC4)nn2)C1 ZINC001000001719 745165345 /nfs/dbraw/zinc/16/53/45/745165345.db2.gz FVJSHORKAZNJHX-CYBMUJFWSA-N 1 1 341.419 0.853 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C(N)=O)o3)nn2)C1 ZINC001000002711 745166996 /nfs/dbraw/zinc/16/69/96/745166996.db2.gz LIHRSVZDLCGANW-GFCCVEGCSA-N 1 1 344.375 0.333 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3coc(OCC)n3)nn2)C1 ZINC001000003692 745169048 /nfs/dbraw/zinc/16/90/48/745169048.db2.gz QVDWJOIWYVUPBB-ZDUSSCGKSA-N 1 1 344.375 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cccc4nccn43)nn2)C1 ZINC001000003905 745170288 /nfs/dbraw/zinc/17/02/88/745170288.db2.gz RCJGAZLWJDFJRO-HNNXBMFYSA-N 1 1 349.398 0.736 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnnc3C)nn2)C1 ZINC001000005052 745172211 /nfs/dbraw/zinc/17/22/11/745172211.db2.gz XZVOHLZZIFPXAL-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CCC(=O)N1 ZINC001006920572 751978143 /nfs/dbraw/zinc/97/81/43/751978143.db2.gz PWMIDWUZLIINAP-DLBZAZTESA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCC(=O)N1 ZINC001006920572 751978148 /nfs/dbraw/zinc/97/81/48/751978148.db2.gz PWMIDWUZLIINAP-DLBZAZTESA-N 1 1 325.412 0.897 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c[nH]c(=O)n3C)nn2)C1 ZINC001000013117 745182494 /nfs/dbraw/zinc/18/24/94/745182494.db2.gz HGHJLJJABKAPKT-ZDUSSCGKSA-N 1 1 345.407 0.470 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)cnn3C)nn2)C1 ZINC001000016221 745186957 /nfs/dbraw/zinc/18/69/57/745186957.db2.gz RLCWBTQQHWQTIY-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn4ccccc34)nn2)C1 ZINC001000027740 745200234 /nfs/dbraw/zinc/20/02/34/745200234.db2.gz FBFKTCXSTWWBRN-HNNXBMFYSA-N 1 1 349.398 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(CCC)nn3)nn2)C1 ZINC001000032476 745206818 /nfs/dbraw/zinc/20/68/18/745206818.db2.gz CRMJGIOORRYKBG-AWEZNQCLSA-N 1 1 342.407 0.090 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C(C)(C)C1 ZINC000977563564 745207026 /nfs/dbraw/zinc/20/70/26/745207026.db2.gz DMYLYCKSWDXCLB-HNNXBMFYSA-N 1 1 328.416 0.928 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C(C)(C)C1 ZINC000977563564 745207029 /nfs/dbraw/zinc/20/70/29/745207029.db2.gz DMYLYCKSWDXCLB-HNNXBMFYSA-N 1 1 328.416 0.928 20 30 ECEDMO N#CCN1CC[C@H](n2cc(CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)nn2)C1 ZINC001000033812 745208773 /nfs/dbraw/zinc/20/87/73/745208773.db2.gz FONCYXIXSVLFNU-RDJZCZTQSA-N 1 1 343.435 0.151 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3conc3COC)nn2)C1 ZINC001000035612 745212084 /nfs/dbraw/zinc/21/20/84/745212084.db2.gz PGUKZJGFGFGXNW-ZDUSSCGKSA-N 1 1 346.391 0.775 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(Cl)no3)nn2)C1 ZINC001000036511 745213778 /nfs/dbraw/zinc/21/37/78/745213778.db2.gz ULQNSXLOHUHRQW-NSHDSACASA-N 1 1 334.767 0.730 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn4ccccc4n3)nn2)C1 ZINC001000043188 745222920 /nfs/dbraw/zinc/22/29/20/745222920.db2.gz IKZZFUJEJGZKLX-OAHLLOKOSA-N 1 1 349.398 0.736 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC34CCOCC4)C2)nn1 ZINC001105385109 745262170 /nfs/dbraw/zinc/26/21/70/745262170.db2.gz VDXQODWZLOUDLQ-OAHLLOKOSA-N 1 1 331.420 0.754 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C(C)(C)C1 ZINC000977629719 745286466 /nfs/dbraw/zinc/28/64/66/745286466.db2.gz OQGXUWLRNLJBPB-IRXDYDNUSA-N 1 1 333.476 0.947 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C(C)(C)C1 ZINC000977621483 745307277 /nfs/dbraw/zinc/30/72/77/745307277.db2.gz BYMQEXFGQDIRCD-IRXDYDNUSA-N 1 1 333.476 0.947 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccnc4c3CC(=O)N4)C[C@@]2(C)C1 ZINC000982343650 752006454 /nfs/dbraw/zinc/00/64/54/752006454.db2.gz HIKIDROWFZOHQA-KDURUIRLSA-N 1 1 338.411 0.993 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(CC)o2)C1 ZINC000983903940 745483487 /nfs/dbraw/zinc/48/34/87/745483487.db2.gz ILWWCSYBCDYXIM-KKUMJFAQSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000977807023 745526728 /nfs/dbraw/zinc/52/67/28/745526728.db2.gz AKFUZCNJCJWNOL-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000977807023 745526732 /nfs/dbraw/zinc/52/67/32/745526732.db2.gz AKFUZCNJCJWNOL-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083414167 745532031 /nfs/dbraw/zinc/53/20/31/745532031.db2.gz PJJXQQKZIIZORC-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083414167 745532035 /nfs/dbraw/zinc/53/20/35/745532035.db2.gz PJJXQQKZIIZORC-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC001000479127 745533961 /nfs/dbraw/zinc/53/39/61/745533961.db2.gz WTBAXIIYPFTZPW-SIXLDLHFSA-N 1 1 329.444 0.990 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnsn3)C2)nn1 ZINC001098626613 745534506 /nfs/dbraw/zinc/53/45/06/745534506.db2.gz WIKANGXYIZWVRU-LBPRGKRZSA-N 1 1 333.421 0.883 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)c1 ZINC001027568369 745592831 /nfs/dbraw/zinc/59/28/31/745592831.db2.gz GJBHRNDTNFUCAN-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@H+]([C@@H]3CCCNC3=O)CC2)[nH]1 ZINC001000594182 745623197 /nfs/dbraw/zinc/62/31/97/745623197.db2.gz MAUALHPJYLTGBF-OAHLLOKOSA-N 1 1 327.388 0.527 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cncs4)[C@@H]3C2)C1=O ZINC000977899454 745628741 /nfs/dbraw/zinc/62/87/41/745628741.db2.gz XTIVYXRBZWUDLW-YIYPIFLZSA-N 1 1 346.456 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1CCOCC1 ZINC000977916388 745642515 /nfs/dbraw/zinc/64/25/15/745642515.db2.gz FTQCPVGQYNQBNZ-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C1CCOCC1 ZINC000977916388 745642516 /nfs/dbraw/zinc/64/25/16/745642516.db2.gz FTQCPVGQYNQBNZ-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1cnc[nH]1 ZINC000977916775 745643089 /nfs/dbraw/zinc/64/30/89/745643089.db2.gz GNHVNTWTSMRSAT-CVEARBPZSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1cnc[nH]1 ZINC000977916775 745643094 /nfs/dbraw/zinc/64/30/94/745643094.db2.gz GNHVNTWTSMRSAT-CVEARBPZSA-N 1 1 343.431 0.109 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029312231 745680896 /nfs/dbraw/zinc/68/08/96/745680896.db2.gz XBCIWOXXGVMWIP-LEOABGAYSA-N 1 1 333.432 0.531 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccn(C)c1 ZINC000977929082 745684221 /nfs/dbraw/zinc/68/42/21/745684221.db2.gz ONYVVFUSPIFIFA-SJORKVTESA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccn(C)c1 ZINC000977929082 745684223 /nfs/dbraw/zinc/68/42/23/745684223.db2.gz ONYVVFUSPIFIFA-SJORKVTESA-N 1 1 342.443 0.796 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)O1 ZINC000977929546 745685248 /nfs/dbraw/zinc/68/52/48/745685248.db2.gz UDSMXEGCVIFCBD-VNQPRFMTSA-N 1 1 333.432 0.178 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)O1 ZINC000977929546 745685253 /nfs/dbraw/zinc/68/52/53/745685253.db2.gz UDSMXEGCVIFCBD-VNQPRFMTSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1=COCCC1 ZINC000977932041 745689323 /nfs/dbraw/zinc/68/93/23/745689323.db2.gz XJVKZIDTBWSYAV-IRXDYDNUSA-N 1 1 345.443 0.838 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1=COCCC1 ZINC000977932041 745689326 /nfs/dbraw/zinc/68/93/26/745689326.db2.gz XJVKZIDTBWSYAV-IRXDYDNUSA-N 1 1 345.443 0.838 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C[C@@]2(C)C1 ZINC000982352934 752027374 /nfs/dbraw/zinc/02/73/74/752027374.db2.gz NIYJAWFDOFHVBW-ZYSHUDEJSA-N 1 1 346.475 0.971 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977976389 745736042 /nfs/dbraw/zinc/73/60/42/745736042.db2.gz LDNFGQMGHNWFRC-QZKOUSHUSA-N 1 1 341.415 0.461 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3cncn3C)C2)nn1 ZINC001105360888 752032993 /nfs/dbraw/zinc/03/29/93/752032993.db2.gz LOQHGYDSCQCBLU-UHFFFAOYSA-N 1 1 329.408 0.303 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)C4=CCOCC4)[C@@H]3C2)C1=O ZINC000978038253 745813763 /nfs/dbraw/zinc/81/37/63/745813763.db2.gz SCLLAXXKHXSVOO-NXOAAHMSSA-N 1 1 345.443 0.414 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978038737 745814610 /nfs/dbraw/zinc/81/46/10/745814610.db2.gz LZGUPTTXAHKWGF-DOERSZECSA-N 1 1 329.404 0.271 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)n1 ZINC001059308826 745822479 /nfs/dbraw/zinc/82/24/79/745822479.db2.gz VIUYJUCKCDBQSA-TUVASFSCSA-N 1 1 340.431 0.704 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC001000926650 745906594 /nfs/dbraw/zinc/90/65/94/745906594.db2.gz IPQDVWZFLHMKBC-UHFFFAOYSA-N 1 1 341.411 0.936 20 30 ECEDMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)nn1 ZINC000978111555 745920343 /nfs/dbraw/zinc/92/03/43/745920343.db2.gz GBGRAFARHWGZPM-PHZGNYQRSA-N 1 1 336.399 0.795 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(CCOC)nn3)[C@@H]2C1 ZINC000978154211 745958106 /nfs/dbraw/zinc/95/81/06/745958106.db2.gz KWRGKROEGOSCFN-QKDCVEJESA-N 1 1 333.436 0.798 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@@H]([NH2+]CCn3cncn3)C2)CC1 ZINC001000993070 745958923 /nfs/dbraw/zinc/95/89/23/745958923.db2.gz PVIZDKJYELMPAQ-QGZVFWFLSA-N 1 1 344.463 0.204 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC001001002171 745966827 /nfs/dbraw/zinc/96/68/27/745966827.db2.gz QKHCXMQAIXDGFD-DLBZAZTESA-N 1 1 335.448 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(F)F)C2 ZINC001001011956 745977185 /nfs/dbraw/zinc/97/71/85/745977185.db2.gz YLLNDIISXJRNKL-MQYQWHSLSA-N 1 1 339.386 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(F)F)C2 ZINC001001011956 745977189 /nfs/dbraw/zinc/97/71/89/745977189.db2.gz YLLNDIISXJRNKL-MQYQWHSLSA-N 1 1 339.386 0.987 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001001020482 745986257 /nfs/dbraw/zinc/98/62/57/745986257.db2.gz HNKUHRCYMWRCCL-UHFFFAOYSA-N 1 1 340.391 0.079 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCN(C)C2=O)nc1 ZINC001028272920 752050826 /nfs/dbraw/zinc/05/08/26/752050826.db2.gz XSIRTSMNIAWKBM-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCN(C)C2=O)nc1 ZINC001028272920 752050835 /nfs/dbraw/zinc/05/08/35/752050835.db2.gz XSIRTSMNIAWKBM-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001007027885 752053680 /nfs/dbraw/zinc/05/36/80/752053680.db2.gz FSNFWLVAUMEUOG-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](C[C@H]3CCc4ncnn43)C2)c1 ZINC001007028859 752054291 /nfs/dbraw/zinc/05/42/91/752054291.db2.gz KIIIHRHEOYQYHB-ZIAGYGMSSA-N 1 1 339.403 0.860 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nnn(C)c3C2)CC1 ZINC001001083615 746057898 /nfs/dbraw/zinc/05/78/98/746057898.db2.gz BINHUXYDSPIXJI-OAHLLOKOSA-N 1 1 327.432 0.692 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@H+]([C@H](C)C(=O)NC)CC2)c1 ZINC001001128649 746098383 /nfs/dbraw/zinc/09/83/83/746098383.db2.gz NRAXFYACGRVWTK-CYBMUJFWSA-N 1 1 326.400 0.559 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2=CC[N@@H+]([C@H](C)C(=O)NC)CC2)c1 ZINC001001128649 746098385 /nfs/dbraw/zinc/09/83/85/746098385.db2.gz NRAXFYACGRVWTK-CYBMUJFWSA-N 1 1 326.400 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccco2)C1 ZINC000982370095 752061204 /nfs/dbraw/zinc/06/12/04/752061204.db2.gz WILVFEOZSODQQS-CABCVRRESA-N 1 1 329.400 0.956 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccco2)C1 ZINC000982370095 752061210 /nfs/dbraw/zinc/06/12/10/752061210.db2.gz WILVFEOZSODQQS-CABCVRRESA-N 1 1 329.400 0.956 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(CC(C)C)C3)[C@@H]2C1 ZINC000978268922 746117535 /nfs/dbraw/zinc/11/75/35/746117535.db2.gz LOJGODAXKVPOAK-LUKYLMHMSA-N 1 1 331.460 0.808 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)[C@@H]2C1 ZINC000978273425 746133307 /nfs/dbraw/zinc/13/33/07/746133307.db2.gz RDXMMDCKIMNLKO-VQHPVUNQSA-N 1 1 331.460 0.808 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3ccnnc3)CC2)C1=O ZINC001001197630 746154208 /nfs/dbraw/zinc/15/42/08/746154208.db2.gz LMCNQCSQFGIHBB-MRXNPFEDSA-N 1 1 341.415 0.625 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)nn1 ZINC001027609685 746182032 /nfs/dbraw/zinc/18/20/32/746182032.db2.gz CZOSUDCARNEJHV-ZFWWWQNUSA-N 1 1 348.451 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1oncc1C ZINC000978329466 746187186 /nfs/dbraw/zinc/18/71/86/746187186.db2.gz WJIMXDBIQIJARV-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1oncc1C ZINC000978329466 746187190 /nfs/dbraw/zinc/18/71/90/746187190.db2.gz WJIMXDBIQIJARV-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)nn1 ZINC001027611875 746205116 /nfs/dbraw/zinc/20/51/16/746205116.db2.gz XIRDOIBRUUTMDB-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001027612222 746207748 /nfs/dbraw/zinc/20/77/48/746207748.db2.gz DVAGLEOJGGJZEA-UIORMTCPSA-N 1 1 334.420 0.474 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001001253818 746211857 /nfs/dbraw/zinc/21/18/57/746211857.db2.gz CXSVSPPGUBBFQD-HNNXBMFYSA-N 1 1 341.477 0.735 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001087708389 746215358 /nfs/dbraw/zinc/21/53/58/746215358.db2.gz AHAMJFKAIVNXAF-LSDHHAIUSA-N 1 1 330.388 0.543 20 30 ECEDMO Cn1cc(C[NH+]2CCC(CNC(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC001001285666 746246117 /nfs/dbraw/zinc/24/61/17/746246117.db2.gz HVUQUGPVRSUZLK-UHFFFAOYSA-N 1 1 327.392 0.657 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1 ZINC000978382341 746252874 /nfs/dbraw/zinc/25/28/74/746252874.db2.gz AEMCNRGJFMYIDS-OSYLJGHBSA-N 1 1 343.427 0.426 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001001356527 746303779 /nfs/dbraw/zinc/30/37/79/746303779.db2.gz GIXODGYOMYFQMX-GFCCVEGCSA-N 1 1 329.404 0.416 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ncccc2C)C1 ZINC001001372655 746318425 /nfs/dbraw/zinc/31/84/25/746318425.db2.gz WPZVHLIGOZTBIB-INIZCTEOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ncccc2C)C1 ZINC001001372655 746318432 /nfs/dbraw/zinc/31/84/32/746318432.db2.gz WPZVHLIGOZTBIB-INIZCTEOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)[C@H]1CC ZINC001087788346 746333920 /nfs/dbraw/zinc/33/39/20/746333920.db2.gz NQMNQMKVDCXVCX-OFQRWUPVSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H]1CC ZINC001087795779 746352066 /nfs/dbraw/zinc/35/20/66/746352066.db2.gz XCNYGVUGRGRDAV-WDEREUQCSA-N 1 1 334.376 0.502 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2cccc(C(=O)NC)n2)CC1 ZINC001001415487 746355747 /nfs/dbraw/zinc/35/57/47/746355747.db2.gz NAUPSRDAUVJAKM-UHFFFAOYSA-N 1 1 326.400 0.826 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nc(C)nn4C3)[C@@H]2C1 ZINC000978530820 746410837 /nfs/dbraw/zinc/41/08/37/746410837.db2.gz RBUBNQHIJAWKRM-FPCVCCKLSA-N 1 1 327.432 0.466 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@H]32)ccc1F ZINC001041986530 782552068 /nfs/dbraw/zinc/55/20/68/782552068.db2.gz RRHBODAPJUXRDT-CZUORRHYSA-N 1 1 344.390 0.996 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3[nH]cnc3C)CC2)C1=O ZINC001001497546 746434597 /nfs/dbraw/zinc/43/45/97/746434597.db2.gz RMZDYUHSHJQVAK-OAHLLOKOSA-N 1 1 343.431 0.867 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H]2CC)CC1 ZINC001087839958 746463886 /nfs/dbraw/zinc/46/38/86/746463886.db2.gz BGRNYWIDKPRXCC-DLBZAZTESA-N 1 1 348.491 0.389 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCNC4=O)[C@@H]3C2)cc1 ZINC000978597882 746470081 /nfs/dbraw/zinc/47/00/81/746470081.db2.gz FDOLECLCQAORIN-LUKYLMHMSA-N 1 1 338.411 0.488 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@H]1CC ZINC001087850365 746499655 /nfs/dbraw/zinc/49/96/55/746499655.db2.gz ASCVPVGBLDRAFE-SDDRHHMPSA-N 1 1 327.812 0.761 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@H]1CC ZINC001087850365 746499658 /nfs/dbraw/zinc/49/96/58/746499658.db2.gz ASCVPVGBLDRAFE-SDDRHHMPSA-N 1 1 327.812 0.761 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3C3CCCC3)[C@@H]2C1 ZINC000978638758 746530320 /nfs/dbraw/zinc/53/03/20/746530320.db2.gz MTNLSKVPTKGQOY-AKHDSKFASA-N 1 1 345.487 0.947 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(CN4CCCC4)on3)[C@@H]2C1 ZINC000978711137 746612355 /nfs/dbraw/zinc/61/23/55/746612355.db2.gz PYTAEHKJQRGBLI-PHZGNYQRSA-N 1 1 328.416 0.811 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(N4CCCC4)ncn3)[C@@H]2C1 ZINC000978711367 746613102 /nfs/dbraw/zinc/61/31/02/746613102.db2.gz BOSDIXDPTKTMMF-QKDCVEJESA-N 1 1 325.416 0.618 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001027666539 746673889 /nfs/dbraw/zinc/67/38/89/746673889.db2.gz MNXQFCGRUNUNHD-GFCCVEGCSA-N 1 1 325.372 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C)nn2)C1 ZINC001001795553 746729823 /nfs/dbraw/zinc/72/98/23/746729823.db2.gz HGRQVUPLMCGFII-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C)nn2)C1 ZINC001001795553 746729826 /nfs/dbraw/zinc/72/98/26/746729826.db2.gz HGRQVUPLMCGFII-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC000978797651 746738780 /nfs/dbraw/zinc/73/87/80/746738780.db2.gz ZWRPQUACYBCKHO-QKDCVEJESA-N 1 1 326.462 0.681 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)nn1 ZINC000978818280 746745198 /nfs/dbraw/zinc/74/51/98/746745198.db2.gz OZJWAOHZRHFGTD-ZSOGYDGISA-N 1 1 328.376 0.560 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)nn1 ZINC000978818280 746745202 /nfs/dbraw/zinc/74/52/02/746745202.db2.gz OZJWAOHZRHFGTD-ZSOGYDGISA-N 1 1 328.376 0.560 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC000978827104 746755750 /nfs/dbraw/zinc/75/57/50/746755750.db2.gz ISBBCLKIIPSXBC-JGFGOLAASA-N 1 1 335.448 0.350 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC000978831299 746775205 /nfs/dbraw/zinc/77/52/05/746775205.db2.gz JGYCHSWOHADHEN-LZWOXQAQSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC000978831299 746775208 /nfs/dbraw/zinc/77/52/08/746775208.db2.gz JGYCHSWOHADHEN-LZWOXQAQSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4ccnc4)nn3)[C@@H]2C1 ZINC000978852818 746800491 /nfs/dbraw/zinc/80/04/91/746800491.db2.gz GXNHIXBUHDXWSE-QKDCVEJESA-N 1 1 336.399 0.593 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001001926022 746810569 /nfs/dbraw/zinc/81/05/69/746810569.db2.gz JZXYTDZEAJGRQE-HOTGVXAUSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001001926022 746810574 /nfs/dbraw/zinc/81/05/74/746810574.db2.gz JZXYTDZEAJGRQE-HOTGVXAUSA-N 1 1 329.444 0.849 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncccn4)[C@@H]3C2)C1=O ZINC000978867711 746817849 /nfs/dbraw/zinc/81/78/49/746817849.db2.gz MSMJJOOMCRPEIH-XQLPTFJDSA-N 1 1 341.415 0.171 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@@H]2C1 ZINC001087984598 746824691 /nfs/dbraw/zinc/82/46/91/746824691.db2.gz JJDOBSYCSBKLHD-ZNMIVQPWSA-N 1 1 333.432 0.880 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(CC)n3)[C@@H]2C1 ZINC000978874750 746840106 /nfs/dbraw/zinc/84/01/06/746840106.db2.gz YEJUJEOHOYKNEY-XYYAHUGASA-N 1 1 336.823 0.923 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041987001 782553883 /nfs/dbraw/zinc/55/38/83/782553883.db2.gz VRHGDCIDPVDHBB-CZUORRHYSA-N 1 1 326.400 0.856 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(-n4cncn4)n3)[C@@H]2C1 ZINC000978899535 746855070 /nfs/dbraw/zinc/85/50/70/746855070.db2.gz LZZUQQUKZQPKNO-QKDCVEJESA-N 1 1 336.399 0.593 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001002003089 746882825 /nfs/dbraw/zinc/88/28/25/746882825.db2.gz WKESHTCVDAZCNE-HNNXBMFYSA-N 1 1 330.432 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC000978952444 746945898 /nfs/dbraw/zinc/94/58/98/746945898.db2.gz HTPNSVQXWUSOAA-LZWOXQAQSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC000978952444 746945902 /nfs/dbraw/zinc/94/59/02/746945902.db2.gz HTPNSVQXWUSOAA-LZWOXQAQSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978969671 746971848 /nfs/dbraw/zinc/97/18/48/746971848.db2.gz NPVFSZPCYHHZCM-TUVASFSCSA-N 1 1 329.404 0.170 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc(OC)cc(OC)n3)C[C@@H]2C1 ZINC001088013831 747055631 /nfs/dbraw/zinc/05/56/31/747055631.db2.gz WNZGYAVTKPRCRM-KGLIPLIRSA-N 1 1 344.415 0.911 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC000979018232 747066012 /nfs/dbraw/zinc/06/60/12/747066012.db2.gz WNRBWPQNSWQIFK-NXOAAHMSSA-N 1 1 335.448 0.494 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc(C)o3)C2)nn1 ZINC000984907113 747096646 /nfs/dbraw/zinc/09/66/46/747096646.db2.gz QGSHWWCPDMKJDF-JOCQHMNTSA-N 1 1 345.407 0.844 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)CSCC#N ZINC001211888946 747142269 /nfs/dbraw/zinc/14/22/69/747142269.db2.gz VWYJQAIVINQDBA-ZIAGYGMSSA-N 1 1 329.466 0.874 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@@H]2C1 ZINC001088053686 747162306 /nfs/dbraw/zinc/16/23/06/747162306.db2.gz USWBFAGUZPQYNI-LTIDMASMSA-N 1 1 333.432 0.036 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001002290335 747175576 /nfs/dbraw/zinc/17/55/76/747175576.db2.gz KDHZISNRUCWGRQ-MAUKXSAKSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001002290335 747175581 /nfs/dbraw/zinc/17/55/81/747175581.db2.gz KDHZISNRUCWGRQ-MAUKXSAKSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001029511535 747206593 /nfs/dbraw/zinc/20/65/93/747206593.db2.gz OVWKGQFMKOYQIZ-YVSFHVDLSA-N 1 1 345.447 0.935 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001029511535 747206596 /nfs/dbraw/zinc/20/65/96/747206596.db2.gz OVWKGQFMKOYQIZ-YVSFHVDLSA-N 1 1 345.447 0.935 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029511919 747207445 /nfs/dbraw/zinc/20/74/45/747207445.db2.gz HBAVUACWCULVGR-NPJQDHAYSA-N 1 1 333.432 0.531 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)C2=COCCO2)C1=O ZINC001027739412 747311168 /nfs/dbraw/zinc/31/11/68/747311168.db2.gz PITUTMYSZVNLNJ-KBPBESRZSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)C2=COCCO2)C1=O ZINC001027739412 747311176 /nfs/dbraw/zinc/31/11/76/747311176.db2.gz PITUTMYSZVNLNJ-KBPBESRZSA-N 1 1 335.404 0.242 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001059484466 747323528 /nfs/dbraw/zinc/32/35/28/747323528.db2.gz LRMGPNPGPPVBSJ-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)ccc1F ZINC001088087112 747329085 /nfs/dbraw/zinc/32/90/85/747329085.db2.gz JSLZKDBMVOIERJ-OCCSQVGLSA-N 1 1 330.363 0.463 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C)no2)C1=O ZINC001027752000 747408311 /nfs/dbraw/zinc/40/83/11/747408311.db2.gz SHZVZYFMURVRAZ-ZIAGYGMSSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C)no2)C1=O ZINC001027752000 747408316 /nfs/dbraw/zinc/40/83/16/747408316.db2.gz SHZVZYFMURVRAZ-ZIAGYGMSSA-N 1 1 332.404 0.964 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)c(C(N)=O)cn3)C[C@@H]2C1 ZINC001088113898 747417049 /nfs/dbraw/zinc/41/70/49/747417049.db2.gz JHMOICNUGLGRDK-CABCVRRESA-N 1 1 340.427 0.906 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)NC(=O)NC4=O)C[C@@H]2C1 ZINC001088137153 747469196 /nfs/dbraw/zinc/46/91/96/747469196.db2.gz BOSGGUHRFDEUHZ-VUULHSHRSA-N 1 1 346.431 0.331 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@@H]2C1 ZINC001088137474 747472661 /nfs/dbraw/zinc/47/26/61/747472661.db2.gz PBZSEWYQDFKUQH-VYDXJSESSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@@H]2C1 ZINC001088137474 747472666 /nfs/dbraw/zinc/47/26/66/747472666.db2.gz PBZSEWYQDFKUQH-VYDXJSESSA-N 1 1 338.473 0.757 20 30 ECEDMO Cc1nnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)[nH]1 ZINC000979269664 747474647 /nfs/dbraw/zinc/47/46/47/747474647.db2.gz MHJNMICWVCRQFF-YGRLFVJLSA-N 1 1 343.391 0.332 20 30 ECEDMO C[C@@H]([NH2+]Cc1cnon1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979263412 747489903 /nfs/dbraw/zinc/48/99/03/747489903.db2.gz CWNDAEFKFUMZMT-QMTHXVAHSA-N 1 1 330.348 0.289 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnccc3=O)C[C@@H]2C1 ZINC001088153812 747545375 /nfs/dbraw/zinc/54/53/75/747545375.db2.gz LSFUFEYFEIJXDV-CVEARBPZSA-N 1 1 330.432 0.990 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@@H]2C1 ZINC001088156478 747550009 /nfs/dbraw/zinc/55/00/09/747550009.db2.gz POXHTHCOEAVGBQ-CABCVRRESA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccon1 ZINC001002637816 747600017 /nfs/dbraw/zinc/60/00/17/747600017.db2.gz KCZKHNZCGXOXGL-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccon1 ZINC001002637816 747600021 /nfs/dbraw/zinc/60/00/21/747600021.db2.gz KCZKHNZCGXOXGL-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1cnco1 ZINC001002640428 747603600 /nfs/dbraw/zinc/60/36/00/747603600.db2.gz OFXKSZSLSRUMMA-GJZGRUSLSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1cnco1 ZINC001002640428 747603602 /nfs/dbraw/zinc/60/36/02/747603602.db2.gz OFXKSZSLSRUMMA-GJZGRUSLSA-N 1 1 344.415 0.835 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccccc2)CC1)[C@@H]1COC(=O)N1 ZINC001002723379 747700858 /nfs/dbraw/zinc/70/08/58/747700858.db2.gz SMFNGFOMOSZRRS-INIZCTEOSA-N 1 1 327.384 0.727 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)nn1 ZINC001098723009 747704914 /nfs/dbraw/zinc/70/49/14/747704914.db2.gz SZQOHXVSDQEWLJ-PBHICJAKSA-N 1 1 346.435 0.386 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]Cc3cn(C)nn3)C2)C1 ZINC000979380181 747707624 /nfs/dbraw/zinc/70/76/24/747707624.db2.gz PKWADPWLTJUNHJ-HIFRSBDPSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H]([C@H](C)[NH2+]Cc3nncn3C)C2)C1 ZINC000979386496 747744537 /nfs/dbraw/zinc/74/45/37/747744537.db2.gz YBMZIAQJVHDVLH-KBPBESRZSA-N 1 1 333.436 0.877 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nncn4C3)C[C@@H]2C1 ZINC001088210103 747744680 /nfs/dbraw/zinc/74/46/80/747744680.db2.gz WZSOBTVTPXPPLZ-PMPSAXMXSA-N 1 1 327.432 0.644 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCOCC3)C[C@@H]2C1 ZINC001088208809 747750257 /nfs/dbraw/zinc/75/02/57/747750257.db2.gz SGFSLQAKEXUEPU-FGTMMUONSA-N 1 1 331.460 0.511 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)c1ccc(C#N)nn1 ZINC001112181085 747761050 /nfs/dbraw/zinc/76/10/50/747761050.db2.gz CGIWIRNAUMYRGX-UKRRQHHQSA-N 1 1 330.436 0.831 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]Cc3cnon3)C2)c1 ZINC000979410642 747762454 /nfs/dbraw/zinc/76/24/54/747762454.db2.gz OAUBXZGUIGUTGV-BLLLJJGKSA-N 1 1 341.371 0.465 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)Cc3cc[nH]n3)CC2)C1=O ZINC000985349008 747767486 /nfs/dbraw/zinc/76/74/86/747767486.db2.gz KYBVIQMEVSDIAC-INIZCTEOSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000985349008 747767489 /nfs/dbraw/zinc/76/74/89/747767489.db2.gz KYBVIQMEVSDIAC-INIZCTEOSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000985349008 747767491 /nfs/dbraw/zinc/76/74/91/747767491.db2.gz KYBVIQMEVSDIAC-INIZCTEOSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3COCCO3)CC2)C1 ZINC001088229224 747780274 /nfs/dbraw/zinc/78/02/74/747780274.db2.gz LRFBLSGOLHOTCO-DLBZAZTESA-N 1 1 338.448 0.917 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3COCCN3C)CC2)C1 ZINC001088231575 747791107 /nfs/dbraw/zinc/79/11/07/747791107.db2.gz VHQKRKDLMYZQQG-QZTJIDSGSA-N 1 1 349.475 0.280 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1 ZINC001088234013 747801312 /nfs/dbraw/zinc/80/13/12/747801312.db2.gz GLJMUSGPCCFNEF-LNLFQRSKSA-N 1 1 332.444 0.986 20 30 ECEDMO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)Cn3ncnn3)CC2)c1 ZINC001002822997 747833538 /nfs/dbraw/zinc/83/35/38/747833538.db2.gz KEMRHWCYWQAMNJ-UHFFFAOYSA-N 1 1 343.366 0.465 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nocc2C)C1 ZINC001002825406 747837087 /nfs/dbraw/zinc/83/70/87/747837087.db2.gz FCCAAZXFNUMAOL-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nocc2C)C1 ZINC001002825406 747837091 /nfs/dbraw/zinc/83/70/91/747837091.db2.gz FCCAAZXFNUMAOL-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nn(C)cc2C)C1 ZINC001002826132 747838876 /nfs/dbraw/zinc/83/88/76/747838876.db2.gz LBVCOEPBDPGSDK-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nn(C)cc2C)C1 ZINC001002826132 747838882 /nfs/dbraw/zinc/83/88/82/747838882.db2.gz LBVCOEPBDPGSDK-HNNXBMFYSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=COCCC2)C1 ZINC001002829211 747844739 /nfs/dbraw/zinc/84/47/39/747844739.db2.gz JTAOMPYFYLXUJU-INIZCTEOSA-N 1 1 331.416 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2=COCCC2)C1 ZINC001002829211 747844746 /nfs/dbraw/zinc/84/47/46/747844746.db2.gz JTAOMPYFYLXUJU-INIZCTEOSA-N 1 1 331.416 0.353 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001088237952 747854951 /nfs/dbraw/zinc/85/49/51/747854951.db2.gz HMLXFBYTJYIOFV-ZACQAIPSSA-N 1 1 347.459 0.461 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2(C3CC3)CC2)C1 ZINC001002836113 747858166 /nfs/dbraw/zinc/85/81/66/747858166.db2.gz QVKRGQJIJNUPNR-INIZCTEOSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2(C3CC3)CC2)C1 ZINC001002836113 747858174 /nfs/dbraw/zinc/85/81/74/747858174.db2.gz QVKRGQJIJNUPNR-INIZCTEOSA-N 1 1 329.444 0.849 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001027799267 747882757 /nfs/dbraw/zinc/88/27/57/747882757.db2.gz ZCPKNDXVZGSRKD-HOTGVXAUSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001027799267 747882766 /nfs/dbraw/zinc/88/27/66/747882766.db2.gz ZCPKNDXVZGSRKD-HOTGVXAUSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001088239661 747931032 /nfs/dbraw/zinc/93/10/32/747931032.db2.gz COQFOMWVFDMAES-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3ncn(C)n3)CC2)C1=O ZINC000985419449 747950060 /nfs/dbraw/zinc/95/00/60/747950060.db2.gz ZCUZRJSATABWOI-AWEZNQCLSA-N 1 1 346.435 0.138 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC001002953382 748002751 /nfs/dbraw/zinc/00/27/51/748002751.db2.gz MYNUARKUVUIUKF-NSHDSACASA-N 1 1 327.812 0.857 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681910 748057016 /nfs/dbraw/zinc/05/70/16/748057016.db2.gz PAPUXLCFQQQSGH-ZDUSSCGKSA-N 1 1 332.379 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nnc(C)[nH]2)CC1 ZINC001003055389 748123601 /nfs/dbraw/zinc/12/36/01/748123601.db2.gz GWMVEARLXKFCAN-HNNXBMFYSA-N 1 1 330.436 0.291 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nnc(C)[nH]2)CC1 ZINC001003055389 748123608 /nfs/dbraw/zinc/12/36/08/748123608.db2.gz GWMVEARLXKFCAN-HNNXBMFYSA-N 1 1 330.436 0.291 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCCC2=O)[nH]1 ZINC001027821646 748126433 /nfs/dbraw/zinc/12/64/33/748126433.db2.gz OJBSJFDYOGMBTK-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029712294 748139409 /nfs/dbraw/zinc/13/94/09/748139409.db2.gz PAKAGIDWAZMNHY-NWDGAFQWSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029712294 748139417 /nfs/dbraw/zinc/13/94/17/748139417.db2.gz PAKAGIDWAZMNHY-NWDGAFQWSA-N 1 1 342.407 0.565 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]nc2CC)C1 ZINC001003092242 748167875 /nfs/dbraw/zinc/16/78/75/748167875.db2.gz METGHRGHOUVMFG-INIZCTEOSA-N 1 1 343.431 0.258 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]nc2CC)C1 ZINC001003092242 748167879 /nfs/dbraw/zinc/16/78/79/748167879.db2.gz METGHRGHOUVMFG-INIZCTEOSA-N 1 1 343.431 0.258 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000985474112 748211486 /nfs/dbraw/zinc/21/14/86/748211486.db2.gz NXKSWHWPVQUPHI-NSHDSACASA-N 1 1 328.800 0.260 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cnn(C)c2)CC1 ZINC000985476862 748212895 /nfs/dbraw/zinc/21/28/95/748212895.db2.gz UWHAZPZBWLIMEM-SFHVURJKSA-N 1 1 343.475 0.941 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]2C1 ZINC000979736827 748314802 /nfs/dbraw/zinc/31/48/02/748314802.db2.gz XULBGZBCVCRTKW-RRFJBIMHSA-N 1 1 344.463 0.821 20 30 ECEDMO CC#CC[NH+]1CCC(NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC001003256578 748352197 /nfs/dbraw/zinc/35/21/97/748352197.db2.gz HTEYDDPVLFPMSH-UHFFFAOYSA-N 1 1 332.448 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000979779336 748379810 /nfs/dbraw/zinc/37/98/10/748379810.db2.gz RZXGVXKVTTTWDI-JYJNAYRXSA-N 1 1 340.427 0.639 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000979774550 748401760 /nfs/dbraw/zinc/40/17/60/748401760.db2.gz JAZMLSXCIGQNOZ-UBHSHLNASA-N 1 1 329.404 0.463 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029822011 748603839 /nfs/dbraw/zinc/60/38/39/748603839.db2.gz WXWHPVNTIMTOQI-JKSUJKDBSA-N 1 1 341.415 0.520 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1OC ZINC001211992059 752295386 /nfs/dbraw/zinc/29/53/86/752295386.db2.gz BJBQNGNJKWTZTO-ARFHVFGLSA-N 1 1 344.452 0.446 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC ZINC001211992059 752295389 /nfs/dbraw/zinc/29/53/89/752295389.db2.gz BJBQNGNJKWTZTO-ARFHVFGLSA-N 1 1 344.452 0.446 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3ccn(C)n3)C2)C1=O ZINC001007322232 752290455 /nfs/dbraw/zinc/29/04/55/752290455.db2.gz WLVGPKWZISFZPQ-JKSUJKDBSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3ccn(C)n3)C2)C1=O ZINC001007322232 752290457 /nfs/dbraw/zinc/29/04/57/752290457.db2.gz WLVGPKWZISFZPQ-JKSUJKDBSA-N 1 1 345.447 0.330 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985607732 748738461 /nfs/dbraw/zinc/73/84/61/748738461.db2.gz IJCDCNWJOZEKBE-CQSZACIVSA-N 1 1 347.444 0.724 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 ZINC000979975728 748752110 /nfs/dbraw/zinc/75/21/10/748752110.db2.gz BLYUWMHEDPELJR-GVDBMIGSSA-N 1 1 348.491 0.553 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C)on2)C1 ZINC000979967418 748760003 /nfs/dbraw/zinc/76/00/03/748760003.db2.gz KSZQAQUJTSWVOU-DZKIICNBSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C)on2)C1 ZINC000979967418 748760004 /nfs/dbraw/zinc/76/00/04/748760004.db2.gz KSZQAQUJTSWVOU-DZKIICNBSA-N 1 1 344.415 0.705 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)c1 ZINC001027859440 748791574 /nfs/dbraw/zinc/79/15/74/748791574.db2.gz QQTZPTZUVVXHFI-GJZGRUSLSA-N 1 1 328.372 0.747 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)c(F)c1 ZINC001027861106 748797206 /nfs/dbraw/zinc/79/72/06/748797206.db2.gz RDOOKLFVBSMWNI-HIFRSBDPSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)c(F)c1 ZINC001027861106 748797211 /nfs/dbraw/zinc/79/72/11/748797211.db2.gz RDOOKLFVBSMWNI-HIFRSBDPSA-N 1 1 346.362 0.886 20 30 ECEDMO C=C(Br)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000985651245 748801622 /nfs/dbraw/zinc/80/16/22/748801622.db2.gz ROGUOFLLYWJHLX-NEPJUHHUSA-N 1 1 344.253 0.939 20 30 ECEDMO C=C(Br)C[N@H+](C)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000985651245 748801627 /nfs/dbraw/zinc/80/16/27/748801627.db2.gz ROGUOFLLYWJHLX-NEPJUHHUSA-N 1 1 344.253 0.939 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)ccc1F ZINC001027860780 748816865 /nfs/dbraw/zinc/81/68/65/748816865.db2.gz LCVSUSMGDZHHBJ-UKRRQHHQSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)ccc1F ZINC001027860780 748816869 /nfs/dbraw/zinc/81/68/69/748816869.db2.gz LCVSUSMGDZHHBJ-UKRRQHHQSA-N 1 1 346.362 0.886 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@@H+](C)Cc3nncn3C)CC2)nn1 ZINC000985695482 748884314 /nfs/dbraw/zinc/88/43/14/748884314.db2.gz OSBIOIJINALMIQ-UHFFFAOYSA-N 1 1 344.423 0.329 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3nncn3C)CC2)nn1 ZINC000985695482 748884317 /nfs/dbraw/zinc/88/43/17/748884317.db2.gz OSBIOIJINALMIQ-UHFFFAOYSA-N 1 1 344.423 0.329 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817929 748908177 /nfs/dbraw/zinc/90/81/77/748908177.db2.gz XBOLCCPSWOLXHB-CABCVRRESA-N 1 1 327.469 0.724 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccco3)C2)nn1 ZINC001105345617 749024968 /nfs/dbraw/zinc/02/49/68/749024968.db2.gz JTYUPTXRNKIPAL-UHFFFAOYSA-N 1 1 345.403 0.789 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4nnnn4c3)C[C@@H]2C1 ZINC000980146793 749066186 /nfs/dbraw/zinc/06/61/86/749066186.db2.gz TZNJRDVZVVBERQ-NUEKZKHPSA-N 1 1 338.415 0.978 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]2C1 ZINC000980153325 749077640 /nfs/dbraw/zinc/07/76/40/749077640.db2.gz WABUPUAWWBWQQM-BFHYXJOUSA-N 1 1 328.416 0.967 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001059645990 749092148 /nfs/dbraw/zinc/09/21/48/749092148.db2.gz LADSEEDELZDLQA-DLBZAZTESA-N 1 1 349.475 0.723 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(N)=O)cn3C)C[C@H]2C1 ZINC000980165740 749100055 /nfs/dbraw/zinc/10/00/55/749100055.db2.gz PWWDKDKLEVJXQJ-DZKIICNBSA-N 1 1 342.443 0.978 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001098733548 749112166 /nfs/dbraw/zinc/11/21/66/749112166.db2.gz LTUMRUPGXCCGCY-INIZCTEOSA-N 1 1 344.463 0.506 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059648263 749113390 /nfs/dbraw/zinc/11/33/90/749113390.db2.gz PJIGAMFTLJHARQ-JKSUJKDBSA-N 1 1 335.448 0.333 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccccc2)CC1)[C@@H]1CCC(=O)N1 ZINC001004000194 749127777 /nfs/dbraw/zinc/12/77/77/749127777.db2.gz UKJYCXXJTFYKIS-KRWDZBQOSA-N 1 1 325.412 0.897 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c(C)cc(C)nc3=O)C[C@H]2C1 ZINC000980187295 749139587 /nfs/dbraw/zinc/13/95/87/749139587.db2.gz HJONMQCFTXLNSW-ULQDDVLXSA-N 1 1 342.443 0.710 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(C#N)c(C)n1 ZINC001126254359 749141999 /nfs/dbraw/zinc/14/19/99/749141999.db2.gz GKLGJLRNGZQKTQ-INIZCTEOSA-N 1 1 345.447 0.925 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC001027888259 749142355 /nfs/dbraw/zinc/14/23/55/749142355.db2.gz KIFLGIFPLGWOFP-XHSDSOJGSA-N 1 1 333.436 0.840 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1nc(C)ccc1C#N ZINC001126255629 749151926 /nfs/dbraw/zinc/15/19/26/749151926.db2.gz ZMABFVYNQXNISS-MRXNPFEDSA-N 1 1 345.447 0.925 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C(=O)N2CC[NH+](CCCF)CC2)CC1 ZINC000985825264 749181893 /nfs/dbraw/zinc/18/18/93/749181893.db2.gz LWWDXPMATPZYPC-CQSZACIVSA-N 1 1 339.415 0.387 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)nc1 ZINC000980206765 749183721 /nfs/dbraw/zinc/18/37/21/749183721.db2.gz IAOZEGKDGQYPOS-OWCLPIDISA-N 1 1 340.427 0.639 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)CC1 ZINC000985827001 749184528 /nfs/dbraw/zinc/18/45/28/749184528.db2.gz VOAKWLMGQMQHGO-HZPDHXFCSA-N 1 1 332.448 0.548 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)CC1 ZINC000985826992 749184930 /nfs/dbraw/zinc/18/49/30/749184930.db2.gz VOAKWLMGQMQHGO-CVEARBPZSA-N 1 1 332.448 0.548 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]2C1 ZINC000980209919 749188693 /nfs/dbraw/zinc/18/86/93/749188693.db2.gz NSEZMEFSDIAAJL-MJBXVCDLSA-N 1 1 346.431 0.167 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)CC1 ZINC000985830095 749194527 /nfs/dbraw/zinc/19/45/27/749194527.db2.gz XOERJZZCHQGOJR-UHFFFAOYSA-N 1 1 343.431 0.533 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 ZINC000980234179 749216803 /nfs/dbraw/zinc/21/68/03/749216803.db2.gz WBZNHCWNEDQLJM-HRCADAONSA-N 1 1 345.447 0.130 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cnon3)C2)C1=O ZINC001029870468 749223795 /nfs/dbraw/zinc/22/37/95/749223795.db2.gz UBMMPNAPTOPNGT-JSGCOSHPSA-N 1 1 333.392 0.250 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)n3C)C[C@H]2C1 ZINC000980240750 749245874 /nfs/dbraw/zinc/24/58/74/749245874.db2.gz AIJFCOMUOOADHO-SOUVJXGZSA-N 1 1 330.432 0.577 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3[nH]cnc3CC)C2)C1=O ZINC000980282356 749309231 /nfs/dbraw/zinc/30/92/31/749309231.db2.gz DEOOINXJCZJVRM-UKRRQHHQSA-N 1 1 345.447 0.905 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3[nH]cnc3CC)C2)C1=O ZINC000980282357 749309695 /nfs/dbraw/zinc/30/96/95/749309695.db2.gz DEOOINXJCZJVRM-ZFWWWQNUSA-N 1 1 345.447 0.905 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CCNC(=O)CSCC#N)C2)C1 ZINC001059671792 749314543 /nfs/dbraw/zinc/31/45/43/749314543.db2.gz LBKVQMXSYKMVEV-ZIAGYGMSSA-N 1 1 338.477 0.550 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)[C@@H]2C)C1 ZINC001088844222 749320520 /nfs/dbraw/zinc/32/05/20/749320520.db2.gz IXWVWNGWRVVXOB-KGLIPLIRSA-N 1 1 348.447 0.864 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098632346 749335532 /nfs/dbraw/zinc/33/55/32/749335532.db2.gz BFBNATQFMCOHMA-HIFRSBDPSA-N 1 1 337.424 0.115 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000980346439 749402195 /nfs/dbraw/zinc/40/21/95/749402195.db2.gz NLAAMCLPLBIXSN-MNOVXSKESA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000980346439 749402198 /nfs/dbraw/zinc/40/21/98/749402198.db2.gz NLAAMCLPLBIXSN-MNOVXSKESA-N 1 1 328.800 0.260 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001059679655 749409095 /nfs/dbraw/zinc/40/90/95/749409095.db2.gz NWSVWUFKFFEVOM-CRAIPNDOSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3ccnc3C)C2)C1=O ZINC000980410239 749514952 /nfs/dbraw/zinc/51/49/52/749514952.db2.gz ZRNYBIPNMUBLHK-HOTGVXAUSA-N 1 1 345.447 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC001004476678 749546712 /nfs/dbraw/zinc/54/67/12/749546712.db2.gz NAGDXMMLOYJNTF-INIZCTEOSA-N 1 1 345.443 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)c2nnn(C)n2)C1 ZINC001029921694 749631699 /nfs/dbraw/zinc/63/16/99/749631699.db2.gz PIUVCXPJZMBDSB-MRXNPFEDSA-N 1 1 338.415 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)c2nnn(C)n2)C1 ZINC001029921694 749631705 /nfs/dbraw/zinc/63/17/05/749631705.db2.gz PIUVCXPJZMBDSB-MRXNPFEDSA-N 1 1 338.415 0.950 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC1 ZINC001027938971 749641927 /nfs/dbraw/zinc/64/19/27/749641927.db2.gz DJUKHXYUJAQXIG-SJORKVTESA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001027938971 749641931 /nfs/dbraw/zinc/64/19/31/749641931.db2.gz DJUKHXYUJAQXIG-SJORKVTESA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nccn1C ZINC001027944563 749680746 /nfs/dbraw/zinc/68/07/46/749680746.db2.gz ZYHUZZCLQHRNAC-HOTGVXAUSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nccn1C ZINC001027944563 749680752 /nfs/dbraw/zinc/68/07/52/749680752.db2.gz ZYHUZZCLQHRNAC-HOTGVXAUSA-N 1 1 329.448 0.598 20 30 ECEDMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)CCN1C(=O)C#CC1CC1 ZINC000986277944 749745763 /nfs/dbraw/zinc/74/57/63/749745763.db2.gz JXNKMHJOGDWGCD-JSGCOSHPSA-N 1 1 330.436 0.921 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC000986284011 749752309 /nfs/dbraw/zinc/75/23/09/749752309.db2.gz WOXDNDHRVPVKNF-ZNMIVQPWSA-N 1 1 332.448 0.937 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)C[C@H]1C ZINC000980605453 749841442 /nfs/dbraw/zinc/84/14/42/749841442.db2.gz SSSZBRKCGFDQJT-ZIAGYGMSSA-N 1 1 343.435 0.838 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC000986403863 749863921 /nfs/dbraw/zinc/86/39/21/749863921.db2.gz QEOZBYQGVVDZDN-SJORKVTESA-N 1 1 340.427 0.912 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1C ZINC001004880880 749990016 /nfs/dbraw/zinc/99/00/16/749990016.db2.gz ZLFKNIDWQGIIPM-CJNGLKHVSA-N 1 1 328.416 0.958 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)on3)[C@H]2C)C1=O ZINC001088497519 749994976 /nfs/dbraw/zinc/99/49/76/749994976.db2.gz AVKLPDMKUOYQFH-VNQPRFMTSA-N 1 1 346.431 0.891 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc(C)on3)[C@H]2C)C1=O ZINC001088497519 749994981 /nfs/dbraw/zinc/99/49/81/749994981.db2.gz AVKLPDMKUOYQFH-VNQPRFMTSA-N 1 1 346.431 0.891 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C)C1 ZINC001058845121 750083930 /nfs/dbraw/zinc/08/39/30/750083930.db2.gz FSQXLAGUNRAKEY-HNNXBMFYSA-N 1 1 337.464 0.315 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001058846730 750116668 /nfs/dbraw/zinc/11/66/68/750116668.db2.gz DWSGOKBVHXWPFG-OAHLLOKOSA-N 1 1 348.447 0.657 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C[NH2+]Cc3nnn(C)n3)C[C@@H]2C)nc1 ZINC000980768317 750123222 /nfs/dbraw/zinc/12/32/22/750123222.db2.gz SZIWSHQBEXCYQY-JSGCOSHPSA-N 1 1 339.403 0.227 20 30 ECEDMO C=CCN1CC[C@H](N2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000980834085 750238379 /nfs/dbraw/zinc/23/83/79/750238379.db2.gz NNIDSGZNWFFCJN-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CCNC(=O)C#CC(C)C)C2)C1 ZINC001059736918 750262002 /nfs/dbraw/zinc/26/20/02/750262002.db2.gz FRHVOHRDEWVJDN-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CCNC(=O)C#CC(C)C)C2)C1 ZINC001059736918 750262008 /nfs/dbraw/zinc/26/20/08/750262008.db2.gz FRHVOHRDEWVJDN-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3ccon3)CC2)C1=O ZINC000980874820 750290453 /nfs/dbraw/zinc/29/04/53/750290453.db2.gz AQNSRTVKYFGWLP-OAHLLOKOSA-N 1 1 332.404 0.538 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3ccon3)CC2)C1=O ZINC000980874820 750290461 /nfs/dbraw/zinc/29/04/61/750290461.db2.gz AQNSRTVKYFGWLP-OAHLLOKOSA-N 1 1 332.404 0.538 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001005184252 750340687 /nfs/dbraw/zinc/34/06/87/750340687.db2.gz LKESHSAYTWFOGK-IAGOWNOFSA-N 1 1 348.491 0.790 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001005184252 750340692 /nfs/dbraw/zinc/34/06/92/750340692.db2.gz LKESHSAYTWFOGK-IAGOWNOFSA-N 1 1 348.491 0.790 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)cc1 ZINC001028066699 750464266 /nfs/dbraw/zinc/46/42/66/750464266.db2.gz GSTHVHAZNUGJSU-JKSUJKDBSA-N 1 1 339.395 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)cc1 ZINC001028066699 750464270 /nfs/dbraw/zinc/46/42/70/750464270.db2.gz GSTHVHAZNUGJSU-JKSUJKDBSA-N 1 1 339.395 0.667 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)[C@@H]1CCNC1=O ZINC001028073854 750500090 /nfs/dbraw/zinc/50/00/90/750500090.db2.gz ZAPKPMPSFVBUJA-DLBZAZTESA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)[C@@H]1CCNC1=O ZINC001028073854 750500095 /nfs/dbraw/zinc/50/00/95/750500095.db2.gz ZAPKPMPSFVBUJA-DLBZAZTESA-N 1 1 343.402 0.894 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nccc(C)n3)[C@H]2C)C1=O ZINC001088545818 750503124 /nfs/dbraw/zinc/50/31/24/750503124.db2.gz BEDZLRBLCKGTME-ILXRZTDVSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nccc(C)n3)[C@H]2C)C1=O ZINC001088545818 750503127 /nfs/dbraw/zinc/50/31/27/750503127.db2.gz BEDZLRBLCKGTME-ILXRZTDVSA-N 1 1 343.431 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cccn2C)C1 ZINC001005734615 750570216 /nfs/dbraw/zinc/57/02/16/750570216.db2.gz XNYSAZRXSIFVIV-YOEHRIQHSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cccn2C)C1 ZINC001005734615 750570219 /nfs/dbraw/zinc/57/02/19/750570219.db2.gz XNYSAZRXSIFVIV-YOEHRIQHSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccnn2C)C1 ZINC001005782878 750632768 /nfs/dbraw/zinc/63/27/68/750632768.db2.gz IAYHFJCCLRABEP-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccnn2C)C1 ZINC001005782878 750632771 /nfs/dbraw/zinc/63/27/71/750632771.db2.gz IAYHFJCCLRABEP-CJNGLKHVSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001059792898 750732734 /nfs/dbraw/zinc/73/27/34/750732734.db2.gz IHDWDFZKCGERJO-IXDOHACOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001059792898 750732739 /nfs/dbraw/zinc/73/27/39/750732739.db2.gz IHDWDFZKCGERJO-IXDOHACOSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001005862891 750742451 /nfs/dbraw/zinc/74/24/51/750742451.db2.gz OSXJEGXPGOPXOQ-CHWSQXEVSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001005922294 750805153 /nfs/dbraw/zinc/80/51/53/750805153.db2.gz NBYIVZFZVOQRGC-BLLLJJGKSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001005947934 750833859 /nfs/dbraw/zinc/83/38/59/750833859.db2.gz SSADRBSVBXZWMG-CHWSQXEVSA-N 1 1 343.431 0.805 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CNC(=O)N1 ZINC001028111943 750916894 /nfs/dbraw/zinc/91/68/94/750916894.db2.gz ZLXCHZBTEBMQMS-CVEARBPZSA-N 1 1 326.400 0.300 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@@H]1CNC(=O)N1 ZINC001028111943 750916899 /nfs/dbraw/zinc/91/68/99/750916899.db2.gz ZLXCHZBTEBMQMS-CVEARBPZSA-N 1 1 326.400 0.300 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC000981688170 750960193 /nfs/dbraw/zinc/96/01/93/750960193.db2.gz VNTUCOZAHPLDCJ-UHFFFAOYSA-N 1 1 327.388 0.502 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2c[nH]cc2C)C1 ZINC001006107207 751021094 /nfs/dbraw/zinc/02/10/94/751021094.db2.gz PSPAJMCXZCGMDQ-YOEHRIQHSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2c[nH]cc2C)C1 ZINC001006107207 751021102 /nfs/dbraw/zinc/02/11/02/751021102.db2.gz PSPAJMCXZCGMDQ-YOEHRIQHSA-N 1 1 342.443 0.997 20 30 ECEDMO CN1C[C@@H](C(=O)N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)NC1=O ZINC000981750956 751052037 /nfs/dbraw/zinc/05/20/37/751052037.db2.gz LOIDDSIFMQESEN-INIZCTEOSA-N 1 1 341.415 0.616 20 30 ECEDMO CN1C[C@@H](C(=O)N2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)NC1=O ZINC000981750956 751052044 /nfs/dbraw/zinc/05/20/44/751052044.db2.gz LOIDDSIFMQESEN-INIZCTEOSA-N 1 1 341.415 0.616 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)CC[N@H+]1C ZINC000987647257 751052433 /nfs/dbraw/zinc/05/24/33/751052433.db2.gz QISZLOZLCYFBSO-BHTHQVBYSA-N 1 1 343.431 0.946 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)n1 ZINC000981777408 751088538 /nfs/dbraw/zinc/08/85/38/751088538.db2.gz GZMGGXRSBSNYHJ-UHFFFAOYSA-N 1 1 325.376 0.430 20 30 ECEDMO Cn1nnc(C(=O)N2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)n1 ZINC000981777408 751088541 /nfs/dbraw/zinc/08/85/41/751088541.db2.gz GZMGGXRSBSNYHJ-UHFFFAOYSA-N 1 1 325.376 0.430 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001059821073 751095198 /nfs/dbraw/zinc/09/51/98/751095198.db2.gz LEMQYBBQXICBKO-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006186733 751102520 /nfs/dbraw/zinc/10/25/20/751102520.db2.gz LIYRNIZNPRGHKU-BBRMVZONSA-N 1 1 333.432 0.084 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006186733 751102523 /nfs/dbraw/zinc/10/25/23/751102523.db2.gz LIYRNIZNPRGHKU-BBRMVZONSA-N 1 1 333.432 0.084 20 30 ECEDMO C=CCCC[N@H+](CCO)C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001098514001 751127954 /nfs/dbraw/zinc/12/79/54/751127954.db2.gz HEYCQKKMJCOMKG-UHFFFAOYSA-N 1 1 348.447 0.979 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC2CC2)c1 ZINC001028127947 751134368 /nfs/dbraw/zinc/13/43/68/751134368.db2.gz YXRUHHQPUZWERI-MRXNPFEDSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC2CC2)c1 ZINC001028127947 751134370 /nfs/dbraw/zinc/13/43/70/751134370.db2.gz YXRUHHQPUZWERI-MRXNPFEDSA-N 1 1 326.400 0.536 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000987822523 751225642 /nfs/dbraw/zinc/22/56/42/751225642.db2.gz FPKYOGIMCOYPKL-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2[nH]ccc2C)C1 ZINC001006312017 751229314 /nfs/dbraw/zinc/22/93/14/751229314.db2.gz AZDOBKSMEHCLKL-HOCLYGCPSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2[nH]ccc2C)C1 ZINC001006312017 751229317 /nfs/dbraw/zinc/22/93/17/751229317.db2.gz AZDOBKSMEHCLKL-HOCLYGCPSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc[nH]n2)C1 ZINC001006317525 751239629 /nfs/dbraw/zinc/23/96/29/751239629.db2.gz HLTUVWFPBIWDGN-DOMZBBRYSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc[nH]n2)C1 ZINC001006317525 751239633 /nfs/dbraw/zinc/23/96/33/751239633.db2.gz HLTUVWFPBIWDGN-DOMZBBRYSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccn(C)c2)C1 ZINC001006318889 751240961 /nfs/dbraw/zinc/24/09/61/751240961.db2.gz JUPJJOJWUTTYRC-YOEHRIQHSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccn(C)c2)C1 ZINC001006318889 751240963 /nfs/dbraw/zinc/24/09/63/751240963.db2.gz JUPJJOJWUTTYRC-YOEHRIQHSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CC(F)(F)F)C1 ZINC001006320196 751242618 /nfs/dbraw/zinc/24/26/18/751242618.db2.gz OLWKNOGYDICMNO-AAEUAGOBSA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CC(F)(F)F)C1 ZINC001006320196 751242621 /nfs/dbraw/zinc/24/26/21/751242621.db2.gz OLWKNOGYDICMNO-AAEUAGOBSA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2ccon2)C1 ZINC001006321976 751244298 /nfs/dbraw/zinc/24/42/98/751244298.db2.gz SVYJHGIUJUJOGY-BBRMVZONSA-N 1 1 344.415 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2ccon2)C1 ZINC001006321976 751244302 /nfs/dbraw/zinc/24/43/02/751244302.db2.gz SVYJHGIUJUJOGY-BBRMVZONSA-N 1 1 344.415 0.278 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C(C)(F)F)C1 ZINC001006322767 751245182 /nfs/dbraw/zinc/24/51/82/751245182.db2.gz WGLGWBCSHIOPAX-AAEUAGOBSA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C(C)(F)F)C1 ZINC001006322767 751245185 /nfs/dbraw/zinc/24/51/85/751245185.db2.gz WGLGWBCSHIOPAX-AAEUAGOBSA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC3CC3)[C@@H]2C1 ZINC001020910008 752323778 /nfs/dbraw/zinc/32/37/78/752323778.db2.gz POMJHBKOUQSFPL-YESZJQIVSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC3CC3)[C@@H]2C1 ZINC001020910008 752323788 /nfs/dbraw/zinc/32/37/88/752323788.db2.gz POMJHBKOUQSFPL-YESZJQIVSA-N 1 1 329.444 0.943 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC(C)C)NC(C)=O)C2)nn1 ZINC001105363382 752356562 /nfs/dbraw/zinc/35/65/62/752356562.db2.gz YJDBCUCBWMUOFS-MRXNPFEDSA-N 1 1 348.451 0.488 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1OC ZINC001212033431 752422972 /nfs/dbraw/zinc/42/29/72/752422972.db2.gz HHVGDQFZYLDPNM-ARFHVFGLSA-N 1 1 344.452 0.038 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000988630452 752423847 /nfs/dbraw/zinc/42/38/47/752423847.db2.gz FDQQWDUIQKOXTD-BXUZGUMPSA-N 1 1 342.407 0.676 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1OC ZINC001212032403 752430409 /nfs/dbraw/zinc/43/04/09/752430409.db2.gz YSAVCHORNULALJ-ARFHVFGLSA-N 1 1 326.437 0.821 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001059911343 752457328 /nfs/dbraw/zinc/45/73/28/752457328.db2.gz JFQJCLLVFFFSOH-GDBMZVCRSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001059911343 752457334 /nfs/dbraw/zinc/45/73/34/752457334.db2.gz JFQJCLLVFFFSOH-GDBMZVCRSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001059911481 752457860 /nfs/dbraw/zinc/45/78/60/752457860.db2.gz LJEILFKVMMAOKI-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001059911481 752457863 /nfs/dbraw/zinc/45/78/63/752457863.db2.gz LJEILFKVMMAOKI-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cnn(C)c3)C2)C1=O ZINC001028397091 752542167 /nfs/dbraw/zinc/54/21/67/752542167.db2.gz XUIGUOUFWZSFKO-ZFWWWQNUSA-N 1 1 331.420 0.259 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3snnc3C)C2)C1=O ZINC001028399988 752557193 /nfs/dbraw/zinc/55/71/93/752557193.db2.gz HOJQVGYXZIQWMT-CHWSQXEVSA-N 1 1 349.460 0.685 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001028417085 752599350 /nfs/dbraw/zinc/59/93/50/752599350.db2.gz DQOQZCWMABVYNW-BBRMVZONSA-N 1 1 345.447 0.811 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098678600 752604748 /nfs/dbraw/zinc/60/47/48/752604748.db2.gz JOKTZMPTTMYZMN-CYBMUJFWSA-N 1 1 341.843 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H](C)OC)[C@@H]2C1 ZINC001021186183 752631436 /nfs/dbraw/zinc/63/14/36/752631436.db2.gz TTYGUZGIJIPHFT-FXUDXRNXSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H](C)OC)[C@@H]2C1 ZINC001021186183 752631439 /nfs/dbraw/zinc/63/14/39/752631439.db2.gz TTYGUZGIJIPHFT-FXUDXRNXSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnn2C)[C@@H]1C ZINC000988737562 752635231 /nfs/dbraw/zinc/63/52/31/752635231.db2.gz BKHKYAHLDNISKK-ILXRZTDVSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnn2C)[C@@H]1C ZINC000988737562 752635237 /nfs/dbraw/zinc/63/52/37/752635237.db2.gz BKHKYAHLDNISKK-ILXRZTDVSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnccn2)[C@@H]1C ZINC000988739529 752643417 /nfs/dbraw/zinc/64/34/17/752643417.db2.gz XXWSXNMKIGDGTO-YCPHGPKFSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnccn2)[C@@H]1C ZINC000988739529 752643422 /nfs/dbraw/zinc/64/34/22/752643422.db2.gz XXWSXNMKIGDGTO-YCPHGPKFSA-N 1 1 341.415 0.293 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000938022272 752656832 /nfs/dbraw/zinc/65/68/32/752656832.db2.gz VOCIJRQOQOANII-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001212081792 752715282 /nfs/dbraw/zinc/71/52/82/752715282.db2.gz VQCAHBYREZZWIG-HZPDHXFCSA-N 1 1 334.420 0.988 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001212081792 752715291 /nfs/dbraw/zinc/71/52/91/752715291.db2.gz VQCAHBYREZZWIG-HZPDHXFCSA-N 1 1 334.420 0.988 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)c1 ZINC001028468335 752763872 /nfs/dbraw/zinc/76/38/72/752763872.db2.gz SUVDMADPDOFKJH-ZDUSSCGKSA-N 1 1 329.404 0.560 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001007685251 752786592 /nfs/dbraw/zinc/78/65/92/752786592.db2.gz OLZSZZZOMBDEJH-HNAYVOBHSA-N 1 1 349.475 0.980 20 30 ECEDMO CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1OC ZINC001211801955 752790850 /nfs/dbraw/zinc/79/08/50/752790850.db2.gz DSIXEUWKENXJFT-IAGOWNOFSA-N 1 1 347.415 0.941 20 30 ECEDMO CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1OC ZINC001211801955 752790856 /nfs/dbraw/zinc/79/08/56/752790856.db2.gz DSIXEUWKENXJFT-IAGOWNOFSA-N 1 1 347.415 0.941 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001028482142 752811480 /nfs/dbraw/zinc/81/14/80/752811480.db2.gz JUHBWEWWBHLZKB-ZFWWWQNUSA-N 1 1 344.415 0.626 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)c[nH]1 ZINC001028488831 752824260 /nfs/dbraw/zinc/82/42/60/752824260.db2.gz HRAOARUIFSLWSO-ZDUSSCGKSA-N 1 1 329.404 0.560 20 30 ECEDMO COc1nccc(C[N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028489031 752825338 /nfs/dbraw/zinc/82/53/38/752825338.db2.gz RMEKHFGKTPIDTE-LBPRGKRZSA-N 1 1 340.387 0.937 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cc1=O ZINC001028489304 752825488 /nfs/dbraw/zinc/82/54/88/752825488.db2.gz ZSIKDDYDBPRCAJ-CQSZACIVSA-N 1 1 339.399 0.837 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001028490335 752830787 /nfs/dbraw/zinc/83/07/87/752830787.db2.gz KGSRAFDGXYJXCT-OLZOCXBDSA-N 1 1 346.269 0.664 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001028490335 752830794 /nfs/dbraw/zinc/83/07/94/752830794.db2.gz KGSRAFDGXYJXCT-OLZOCXBDSA-N 1 1 346.269 0.664 20 30 ECEDMO COc1nccc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028491480 752834592 /nfs/dbraw/zinc/83/45/92/752834592.db2.gz ZCCNISGVKWFKFK-LBPRGKRZSA-N 1 1 340.387 0.937 20 30 ECEDMO CCn1cc(C[N@@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001028491589 752835798 /nfs/dbraw/zinc/83/57/98/752835798.db2.gz CBTFLDZHZIYKMM-GFCCVEGCSA-N 1 1 327.392 0.750 20 30 ECEDMO CCn1cc(C[N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001028491589 752835807 /nfs/dbraw/zinc/83/58/07/752835807.db2.gz CBTFLDZHZIYKMM-GFCCVEGCSA-N 1 1 327.392 0.750 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001059934248 752948570 /nfs/dbraw/zinc/94/85/70/752948570.db2.gz JHAVWLGFEVWLIY-QGZVFWFLSA-N 1 1 349.475 0.867 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001028505779 752954376 /nfs/dbraw/zinc/95/43/76/752954376.db2.gz MJQGZUYTKXLELY-GOSISDBHSA-N 1 1 339.439 0.955 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@@]2(C)C1 ZINC000982580801 752975899 /nfs/dbraw/zinc/97/58/99/752975899.db2.gz ZIGMMVZFPCLVPX-JCGIZDLHSA-N 1 1 344.463 0.982 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028519653 753018026 /nfs/dbraw/zinc/01/80/26/753018026.db2.gz QRBUAFSMQIYVAT-NHYWBVRUSA-N 1 1 346.362 0.744 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028519653 753018031 /nfs/dbraw/zinc/01/80/31/753018031.db2.gz QRBUAFSMQIYVAT-NHYWBVRUSA-N 1 1 346.362 0.744 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1C ZINC001105845194 762182966 /nfs/dbraw/zinc/18/29/66/762182966.db2.gz BBLISNUOZGQWTP-HZSPNIEDSA-N 1 1 345.447 0.408 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001007949236 753115477 /nfs/dbraw/zinc/11/54/77/753115477.db2.gz CWSVMINBUHZCDE-CQSZACIVSA-N 1 1 329.466 0.569 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000982660460 753227201 /nfs/dbraw/zinc/22/72/01/753227201.db2.gz CWXSNSQTJPJTMM-VNHYZAJKSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001008052770 753244174 /nfs/dbraw/zinc/24/41/74/753244174.db2.gz OXVWWFICMZKMTB-ZDUSSCGKSA-N 1 1 325.376 0.275 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001051493812 762202497 /nfs/dbraw/zinc/20/24/97/762202497.db2.gz AHTKINJHEMCYAK-WFASDCNBSA-N 1 1 332.408 0.165 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cnccc3=O)C[C@@]2(C)C1 ZINC000982684160 753310601 /nfs/dbraw/zinc/31/06/01/753310601.db2.gz PDLIKHWREZUSAX-HDICACEKSA-N 1 1 328.416 0.437 20 30 ECEDMO CCCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 ZINC001051495412 762208492 /nfs/dbraw/zinc/20/84/92/762208492.db2.gz ULALQSXJQGIODY-JSGCOSHPSA-N 1 1 334.424 0.473 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001028581620 753380966 /nfs/dbraw/zinc/38/09/66/753380966.db2.gz KYZDUCDRVFKCFX-DLBZAZTESA-N 1 1 340.427 0.975 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2CC(F)F)C1 ZINC001051495929 762211040 /nfs/dbraw/zinc/21/10/40/762211040.db2.gz YXIILHAOCVGNOH-QWRGUYRKSA-N 1 1 342.350 0.020 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001008180705 753431742 /nfs/dbraw/zinc/43/17/42/753431742.db2.gz BWLKNAMLIJRZLM-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982782672 753557352 /nfs/dbraw/zinc/55/73/52/753557352.db2.gz PJKRMFIJBNFPJZ-DOPJRALCSA-N 1 1 348.447 0.721 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@@H]2O)c1 ZINC001083392695 753794517 /nfs/dbraw/zinc/79/45/17/753794517.db2.gz UPILEEORKOMXDU-IKGGRYGDSA-N 1 1 346.431 0.602 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@]2(C)C1 ZINC000982806220 753796513 /nfs/dbraw/zinc/79/65/13/753796513.db2.gz WGEQAMNZTWVVCG-HDICACEKSA-N 1 1 328.416 0.921 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ccnc(C#N)n2)C1 ZINC001105531988 753800469 /nfs/dbraw/zinc/80/04/69/753800469.db2.gz PCRIJQRJVFHNSN-CQSZACIVSA-N 1 1 346.435 0.352 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)nn2)CC[N@H+]1C ZINC001105533484 753802968 /nfs/dbraw/zinc/80/29/68/753802968.db2.gz VBZQJLLCRXZSCZ-KBPBESRZSA-N 1 1 330.436 0.973 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001028600807 753875305 /nfs/dbraw/zinc/87/53/05/753875305.db2.gz DOIFFLCJDIFSJG-CABCVRRESA-N 1 1 347.488 0.882 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnc(C)s2)C1 ZINC001028602087 753882363 /nfs/dbraw/zinc/88/23/63/753882363.db2.gz WUHAUKBZNOLOPR-CABCVRRESA-N 1 1 347.488 0.882 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnc(C)s2)C1 ZINC001028602087 753882372 /nfs/dbraw/zinc/88/23/72/753882372.db2.gz WUHAUKBZNOLOPR-CABCVRRESA-N 1 1 347.488 0.882 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cnns2)C1 ZINC001028603617 753895189 /nfs/dbraw/zinc/89/51/89/753895189.db2.gz FKRDRJHRBWLXTB-HIFRSBDPSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cnns2)C1 ZINC001028603617 753895196 /nfs/dbraw/zinc/89/51/96/753895196.db2.gz FKRDRJHRBWLXTB-HIFRSBDPSA-N 1 1 333.461 0.574 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nc(CC)no2)C1 ZINC001028604006 753901864 /nfs/dbraw/zinc/90/18/64/753901864.db2.gz NZAHHUYUEIVBQX-CABCVRRESA-N 1 1 345.447 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nc(CC)no2)C1 ZINC001028604006 753901865 /nfs/dbraw/zinc/90/18/65/753901865.db2.gz NZAHHUYUEIVBQX-CABCVRRESA-N 1 1 345.447 0.668 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3c(C)ncn3C)C2)C1=O ZINC001028609780 753915023 /nfs/dbraw/zinc/91/50/23/753915023.db2.gz URCMSUYFASSDIB-HUUCEWRRSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001149137551 753937138 /nfs/dbraw/zinc/93/71/38/753937138.db2.gz PUWCDGGDRPRQCU-KGLIPLIRSA-N 1 1 334.420 0.526 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001149137551 753937140 /nfs/dbraw/zinc/93/71/40/753937140.db2.gz PUWCDGGDRPRQCU-KGLIPLIRSA-N 1 1 334.420 0.526 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001028624671 753965972 /nfs/dbraw/zinc/96/59/72/753965972.db2.gz FGZQMGOGWCMSSH-HUUCEWRRSA-N 1 1 330.432 0.919 20 30 ECEDMO C[C@H]1[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC[N@H+]1C ZINC000925320566 753984409 /nfs/dbraw/zinc/98/44/09/753984409.db2.gz MENWTLRJYAYSDI-DZGCQCFKSA-N 1 1 328.420 0.877 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C(N)=O)cn3)C[C@@]2(C)C1 ZINC000982851608 753993274 /nfs/dbraw/zinc/99/32/74/753993274.db2.gz POGIZFGNSYVGIP-HDICACEKSA-N 1 1 326.400 0.598 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1cccc(F)c1C#N ZINC001105866581 762263854 /nfs/dbraw/zinc/26/38/54/762263854.db2.gz FUJURQMCEZOCOM-LBPRGKRZSA-N 1 1 331.351 0.792 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000989564743 754119153 /nfs/dbraw/zinc/11/91/53/754119153.db2.gz MKVQIJZXCAGXKL-KRWDZBQOSA-N 1 1 325.412 0.633 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000989564743 754119156 /nfs/dbraw/zinc/11/91/56/754119156.db2.gz MKVQIJZXCAGXKL-KRWDZBQOSA-N 1 1 325.412 0.633 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001008822607 754159011 /nfs/dbraw/zinc/15/90/11/754159011.db2.gz YQNDMBBHCWNLIT-AWEZNQCLSA-N 1 1 334.424 0.336 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC000982922000 754202950 /nfs/dbraw/zinc/20/29/50/754202950.db2.gz ITVGMQCDYWDAFA-KGLIPLIRSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC000982922000 754202954 /nfs/dbraw/zinc/20/29/54/754202954.db2.gz ITVGMQCDYWDAFA-KGLIPLIRSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cncn2C)C1 ZINC000982922080 754204121 /nfs/dbraw/zinc/20/41/21/754204121.db2.gz JMJHNASPCAMBLV-GJZGRUSLSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cncn2C)C1 ZINC000982922080 754204126 /nfs/dbraw/zinc/20/41/26/754204126.db2.gz JMJHNASPCAMBLV-GJZGRUSLSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(C)no2)C1 ZINC000982924518 754210115 /nfs/dbraw/zinc/21/01/15/754210115.db2.gz YLAFDUBMNCUQHT-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc(C)no2)C1 ZINC000982924518 754210123 /nfs/dbraw/zinc/21/01/23/754210123.db2.gz YLAFDUBMNCUQHT-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001008886952 754260321 /nfs/dbraw/zinc/26/03/21/754260321.db2.gz XYNZSWCHDVIGRA-AYDFFVQHSA-N 1 1 341.415 0.415 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000982958975 754294736 /nfs/dbraw/zinc/29/47/36/754294736.db2.gz KZAOGGLCDYNGJR-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2sccc2-n2cnnn2)C1 ZINC001028656516 754323652 /nfs/dbraw/zinc/32/36/52/754323652.db2.gz KDUVNLFLRYSECC-GFCCVEGCSA-N 1 1 330.417 0.799 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000983009212 754418756 /nfs/dbraw/zinc/41/87/56/754418756.db2.gz KOVLGOBBIAVPQV-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccnnc3C)C2)C1=O ZINC001028663933 754432411 /nfs/dbraw/zinc/43/24/11/754432411.db2.gz ZNSQLJHEXVYIOV-GOEBONIOSA-N 1 1 343.431 0.624 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cnco2)C1 ZINC000983031469 754473298 /nfs/dbraw/zinc/47/32/98/754473298.db2.gz CIPOZVGHOJHYSR-KGLIPLIRSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cnco2)C1 ZINC000983031469 754473300 /nfs/dbraw/zinc/47/33/00/754473300.db2.gz CIPOZVGHOJHYSR-KGLIPLIRSA-N 1 1 330.388 0.351 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cn(C)cn4)[C@@H]3C2)C1=O ZINC001075687537 754492685 /nfs/dbraw/zinc/49/26/85/754492685.db2.gz UGKCVSOIORSGFX-CWRNSKLLSA-N 1 1 343.431 0.353 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1 ZINC001009062101 754495555 /nfs/dbraw/zinc/49/55/55/754495555.db2.gz HMQJUKCRMAOWNR-ZQDZILKHSA-N 1 1 341.415 0.272 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001105869653 762305970 /nfs/dbraw/zinc/30/59/70/762305970.db2.gz YAMLUDLVAIPHLG-ZDUSSCGKSA-N 1 1 334.424 0.140 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000983062818 754528129 /nfs/dbraw/zinc/52/81/29/754528129.db2.gz CVAYNSFAQFFVTL-ZBFHGGJFSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000983062818 754528130 /nfs/dbraw/zinc/52/81/30/754528130.db2.gz CVAYNSFAQFFVTL-ZBFHGGJFSA-N 1 1 343.431 0.394 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(NC[C@H]2CN(C)CCN2C)=[NH+]C)C1 ZINC000088645740 754574463 /nfs/dbraw/zinc/57/44/63/754574463.db2.gz WUMUCTMAXBCWSH-CABCVRRESA-N 1 1 339.484 0.083 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001060002897 754586243 /nfs/dbraw/zinc/58/62/43/754586243.db2.gz FYUDGJOFJWOGFU-KBPBESRZSA-N 1 1 328.420 0.515 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC(C)C)C[C@H]21 ZINC001009193476 754637555 /nfs/dbraw/zinc/63/75/55/754637555.db2.gz TZWCBMMAFFGDKI-NXOAAHMSSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC(C)C)C[C@H]21 ZINC001009193476 754637560 /nfs/dbraw/zinc/63/75/60/754637560.db2.gz TZWCBMMAFFGDKI-NXOAAHMSSA-N 1 1 331.460 0.951 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)s1 ZINC001051554932 762329966 /nfs/dbraw/zinc/32/99/66/762329966.db2.gz JRSAYFCCOKXRPO-GFCCVEGCSA-N 1 1 346.416 0.677 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001105874049 762332560 /nfs/dbraw/zinc/33/25/60/762332560.db2.gz ZDMKKQMHFFBJSM-GJZGRUSLSA-N 1 1 331.420 0.717 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001028712013 754793449 /nfs/dbraw/zinc/79/34/49/754793449.db2.gz JFJRKWLVVOYOII-ROUUACIJSA-N 1 1 333.476 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001009359140 754803306 /nfs/dbraw/zinc/80/33/06/754803306.db2.gz RSPIQQVDEWPJNU-DZGCQCFKSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001009359140 754803313 /nfs/dbraw/zinc/80/33/13/754803313.db2.gz RSPIQQVDEWPJNU-DZGCQCFKSA-N 1 1 345.447 0.953 20 30 ECEDMO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)no1 ZINC001051557978 762336509 /nfs/dbraw/zinc/33/65/09/762336509.db2.gz DLKFVMXZCCRDPI-HNNXBMFYSA-N 1 1 329.360 0.814 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCCN(CCOC)c1cc(C)[nH+]c(CC)n1 ZINC001126415934 754904903 /nfs/dbraw/zinc/90/49/03/754904903.db2.gz XBFQOORMHVCCNA-HNNXBMFYSA-N 1 1 348.447 0.955 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001028733412 754905017 /nfs/dbraw/zinc/90/50/17/754905017.db2.gz XEZYUUHTWOSQCV-GDBMZVCRSA-N 1 1 339.395 0.525 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)c(F)c1 ZINC001028735442 754917624 /nfs/dbraw/zinc/91/76/24/754917624.db2.gz MLTXMCYSJVCPMU-HIFRSBDPSA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)[nH]1 ZINC000990279245 754936210 /nfs/dbraw/zinc/93/62/10/754936210.db2.gz YUHMKBNGJOYLBB-CRAIPNDOSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)[nH]1 ZINC000990279245 754936215 /nfs/dbraw/zinc/93/62/15/754936215.db2.gz YUHMKBNGJOYLBB-CRAIPNDOSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H]2CCNC2=O)CC3)[nH]1 ZINC000990279196 754936222 /nfs/dbraw/zinc/93/62/22/754936222.db2.gz YLNSQHFWDVWEFF-ZQIUZPCESA-N 1 1 327.388 0.502 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001028741604 754946775 /nfs/dbraw/zinc/94/67/75/754946775.db2.gz DOUOAEJPTUTFTD-NWDGAFQWSA-N 1 1 344.253 0.811 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001028741604 754946777 /nfs/dbraw/zinc/94/67/77/754946777.db2.gz DOUOAEJPTUTFTD-NWDGAFQWSA-N 1 1 344.253 0.811 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001028743953 754950942 /nfs/dbraw/zinc/95/09/42/754950942.db2.gz FUZGJKQCLQOYBS-CQSZACIVSA-N 1 1 342.378 0.453 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001028745339 754952762 /nfs/dbraw/zinc/95/27/62/754952762.db2.gz ZPEKEFNWTWXKDY-JTQLQIEISA-N 1 1 331.405 0.395 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3c(C)cnn3C)C2)C1=O ZINC001028748214 754961246 /nfs/dbraw/zinc/96/12/46/754961246.db2.gz SZFITAHUUOQJDJ-LSDHHAIUSA-N 1 1 345.447 0.567 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001059108714 755025713 /nfs/dbraw/zinc/02/57/13/755025713.db2.gz BBIKVLCEUMPEFD-MBNYWOFBSA-N 1 1 330.392 0.080 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001059108714 755025715 /nfs/dbraw/zinc/02/57/15/755025715.db2.gz BBIKVLCEUMPEFD-MBNYWOFBSA-N 1 1 330.392 0.080 20 30 ECEDMO Cc1nc(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccc1C#N ZINC001059109033 755035671 /nfs/dbraw/zinc/03/56/71/755035671.db2.gz WJKZMWPKZLIFNW-UHOFOFEASA-N 1 1 343.431 0.994 20 30 ECEDMO Cc1nc(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccc1C#N ZINC001059109033 755035673 /nfs/dbraw/zinc/03/56/73/755035673.db2.gz WJKZMWPKZLIFNW-UHOFOFEASA-N 1 1 343.431 0.994 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3ccc[nH]3)C2)C1=O ZINC001009600769 755044845 /nfs/dbraw/zinc/04/48/45/755044845.db2.gz JTZWBUUSBAZHSW-HZPDHXFCSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ccc[nH]3)C2)C1=O ZINC001009600769 755044847 /nfs/dbraw/zinc/04/48/47/755044847.db2.gz JTZWBUUSBAZHSW-HZPDHXFCSA-N 1 1 330.432 0.925 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)cc1F ZINC001028773440 755061080 /nfs/dbraw/zinc/06/10/80/755061080.db2.gz MAUBRBKJFDRHEC-WFASDCNBSA-N 1 1 345.378 0.317 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC001075709219 755192794 /nfs/dbraw/zinc/19/27/94/755192794.db2.gz BMQIDGJOLHVFMT-NILFDRSVSA-N 1 1 327.388 0.263 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O ZINC001075709425 755193462 /nfs/dbraw/zinc/19/34/62/755193462.db2.gz IDLSHVSGJWCTMV-VBNZEHGJSA-N 1 1 341.415 0.653 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)nn1 ZINC001028852084 755309772 /nfs/dbraw/zinc/30/97/72/755309772.db2.gz FEFBYMRBHOZZSN-HUUCEWRRSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001028853768 755314426 /nfs/dbraw/zinc/31/44/26/755314426.db2.gz YECISOUVFXKRNG-DZGCQCFKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C4=CCOCC4)[C@@H]3C2)C1=O ZINC001075721048 755316994 /nfs/dbraw/zinc/31/69/94/755316994.db2.gz PYZNDOSFNJXLMJ-GVDBMIGSSA-N 1 1 345.443 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ncccn3)C2)C1=O ZINC001028881902 755380534 /nfs/dbraw/zinc/38/05/34/755380534.db2.gz DYOBEAXEXNFHQY-UONOGXRCSA-N 1 1 329.404 0.315 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC001088750930 755486638 /nfs/dbraw/zinc/48/66/38/755486638.db2.gz QJITZVZGHHQHMY-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC001075987006 755570806 /nfs/dbraw/zinc/57/08/06/755570806.db2.gz ZOFPRKFPWJVISQ-WDEREUQCSA-N 1 1 325.390 0.259 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)[C@H]1C ZINC001088771780 755626008 /nfs/dbraw/zinc/62/60/08/755626008.db2.gz YGQGYRIFTWBBGQ-HZSPNIEDSA-N 1 1 329.391 0.555 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000990708253 755679151 /nfs/dbraw/zinc/67/91/51/755679151.db2.gz HHEINXGXBVZQBI-CQSZACIVSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088800804 755735826 /nfs/dbraw/zinc/73/58/26/755735826.db2.gz TYOAGLKYOBMMGP-SKDRFNHKSA-N 1 1 331.405 0.536 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088800804 755735828 /nfs/dbraw/zinc/73/58/28/755735828.db2.gz TYOAGLKYOBMMGP-SKDRFNHKSA-N 1 1 331.405 0.536 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn3c2cccc3OC)[C@@H](O)C1 ZINC001083502128 755746129 /nfs/dbraw/zinc/74/61/29/755746129.db2.gz VIMBGLCFWPPWKW-HIFRSBDPSA-N 1 1 330.388 0.694 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001076003402 755814418 /nfs/dbraw/zinc/81/44/18/755814418.db2.gz XYCMTJADNYVQBS-NWDGAFQWSA-N 1 1 338.795 0.234 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001076003402 755814421 /nfs/dbraw/zinc/81/44/21/755814421.db2.gz XYCMTJADNYVQBS-NWDGAFQWSA-N 1 1 338.795 0.234 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C(F)F)n2)[C@@H](O)C1 ZINC001083514263 755824538 /nfs/dbraw/zinc/82/45/38/755824538.db2.gz WOPYZEOIVWDSIG-OLZOCXBDSA-N 1 1 328.363 0.948 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(C#N)n1 ZINC001105675611 755833443 /nfs/dbraw/zinc/83/34/43/755833443.db2.gz MNQORXSYSUDNDD-KGLIPLIRSA-N 1 1 330.436 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CCOC1 ZINC001076006239 755883089 /nfs/dbraw/zinc/88/30/89/755883089.db2.gz BNDINZRROVBLOX-XHSDSOJGSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CCOC1 ZINC001076006239 755883092 /nfs/dbraw/zinc/88/30/92/755883092.db2.gz BNDINZRROVBLOX-XHSDSOJGSA-N 1 1 335.448 0.522 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3COCCO3)C2)cc1C#N ZINC001010252528 755886531 /nfs/dbraw/zinc/88/65/31/755886531.db2.gz JEMSKCKZEWGUCA-DOTOQJQBSA-N 1 1 345.399 0.673 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3COCCO3)C2)cc1C#N ZINC001010252528 755886536 /nfs/dbraw/zinc/88/65/36/755886536.db2.gz JEMSKCKZEWGUCA-DOTOQJQBSA-N 1 1 345.399 0.673 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522895 755890363 /nfs/dbraw/zinc/89/03/63/755890363.db2.gz CCSAEYXCERICQT-IKGGRYGDSA-N 1 1 337.464 0.367 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522895 755890370 /nfs/dbraw/zinc/89/03/70/755890370.db2.gz CCSAEYXCERICQT-IKGGRYGDSA-N 1 1 337.464 0.367 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088828384 755956140 /nfs/dbraw/zinc/95/61/40/755956140.db2.gz IQOGMBZGFLGEAY-BYCMXARLSA-N 1 1 327.388 0.319 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1 ZINC001076012442 755993576 /nfs/dbraw/zinc/99/35/76/755993576.db2.gz GQYVMMSPBGVQOK-GOEBONIOSA-N 1 1 344.415 0.059 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001010321778 755994273 /nfs/dbraw/zinc/99/42/73/755994273.db2.gz COFRIYDEYAICNS-HIFRSBDPSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001010321778 755994276 /nfs/dbraw/zinc/99/42/76/755994276.db2.gz COFRIYDEYAICNS-HIFRSBDPSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076028948 756017428 /nfs/dbraw/zinc/01/74/28/756017428.db2.gz RYELVQANZRDAJI-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076028948 756017433 /nfs/dbraw/zinc/01/74/33/756017433.db2.gz RYELVQANZRDAJI-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001076076290 756061925 /nfs/dbraw/zinc/06/19/25/756061925.db2.gz JOVMVSOSTBJPMG-OUCADQQQSA-N 1 1 331.420 0.851 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 ZINC001076084845 756065280 /nfs/dbraw/zinc/06/52/80/756065280.db2.gz MVOWPKKAQDZIJH-XJKSGUPXSA-N 1 1 337.387 0.227 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1 ZINC001076087370 756068058 /nfs/dbraw/zinc/06/80/58/756068058.db2.gz QEFBRFQDEOFYMZ-SWLSCSKDSA-N 1 1 327.388 0.663 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)[C@@H]2C1 ZINC001076109309 756095612 /nfs/dbraw/zinc/09/56/12/756095612.db2.gz CEMGICAKNYRQFE-JKSUJKDBSA-N 1 1 336.399 0.832 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428018 756125609 /nfs/dbraw/zinc/12/56/09/756125609.db2.gz OLKDHPQFODTMJE-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010467878 756159729 /nfs/dbraw/zinc/15/97/29/756159729.db2.gz DPZSSVPJHFVRTQ-UKRRQHHQSA-N 1 1 327.388 0.477 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010467878 756159733 /nfs/dbraw/zinc/15/97/33/756159733.db2.gz DPZSSVPJHFVRTQ-UKRRQHHQSA-N 1 1 327.388 0.477 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ncccc3C)C2)C1=O ZINC001010486822 756176017 /nfs/dbraw/zinc/17/60/17/756176017.db2.gz CTESIJHMDHAHMV-CABCVRRESA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ncccc3C)C2)C1=O ZINC001010486822 756176021 /nfs/dbraw/zinc/17/60/21/756176021.db2.gz CTESIJHMDHAHMV-CABCVRRESA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4n[nH]cc4F)[C@@H]3C2)C1=O ZINC001076214866 756226818 /nfs/dbraw/zinc/22/68/18/756226818.db2.gz DKYNDFXWZRPGHG-FPMFFAJLSA-N 1 1 347.394 0.482 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)CC[NH+]1CCOCC1 ZINC001076215467 756227922 /nfs/dbraw/zinc/22/79/22/756227922.db2.gz IFKJMGILNMTSOK-ZDUSSCGKSA-N 1 1 347.419 0.233 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cc1 ZINC001010548327 756228492 /nfs/dbraw/zinc/22/84/92/756228492.db2.gz XJUXYHSPQNSXRJ-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1 ZINC001076238103 756260139 /nfs/dbraw/zinc/26/01/39/756260139.db2.gz QFHOIOUEPRSMRQ-HZMVEIRTSA-N 1 1 347.459 0.875 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001076249195 756267555 /nfs/dbraw/zinc/26/75/55/756267555.db2.gz ZYBHJAPCGPMIPH-VVLHAWIVSA-N 1 1 338.411 0.712 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001076249195 756267557 /nfs/dbraw/zinc/26/75/57/756267557.db2.gz ZYBHJAPCGPMIPH-VVLHAWIVSA-N 1 1 338.411 0.712 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)s1 ZINC001051608761 762457063 /nfs/dbraw/zinc/45/70/63/762457063.db2.gz JBQRFXAWDRVRES-CYBMUJFWSA-N 1 1 334.445 0.831 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001076301747 756332870 /nfs/dbraw/zinc/33/28/70/756332870.db2.gz JEPVDHZYRMYRKQ-ZQIUZPCESA-N 1 1 325.453 0.809 20 30 ECEDMO C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001076298016 756341862 /nfs/dbraw/zinc/34/18/62/756341862.db2.gz UYGKLOMYMWWLLZ-QCTRZYONSA-N 1 1 347.459 0.664 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1=O ZINC001010647985 756348427 /nfs/dbraw/zinc/34/84/27/756348427.db2.gz CYBSFILZKKTQKQ-CQSZACIVSA-N 1 1 325.372 0.589 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C2)c[nH]1 ZINC001010699504 756415174 /nfs/dbraw/zinc/41/51/74/756415174.db2.gz UTLDOFBTEIIVJV-CJNGLKHVSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C4CCC4)C3=O)C2)c[nH]1 ZINC001010699504 756415178 /nfs/dbraw/zinc/41/51/78/756415178.db2.gz UTLDOFBTEIIVJV-CJNGLKHVSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)[C@@H]2C1 ZINC001076367052 756426030 /nfs/dbraw/zinc/42/60/30/756426030.db2.gz RXQKMYPNXWZVGQ-UONOGXRCSA-N 1 1 332.404 0.036 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)[nH]1 ZINC000990867648 756436068 /nfs/dbraw/zinc/43/60/68/756436068.db2.gz FRQOXNYUJHKWHY-HOCLYGCPSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cccnn4)[C@@H]3C2)C1=O ZINC001076386276 756451008 /nfs/dbraw/zinc/45/10/08/756451008.db2.gz KUDCWVZLROYKGE-NUEKZKHPSA-N 1 1 341.415 0.410 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076503824 756587204 /nfs/dbraw/zinc/58/72/04/756587204.db2.gz YEQVBCOMTKPGGU-LZWOXQAQSA-N 1 1 341.477 0.567 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1COC(=O)N1 ZINC001010844095 756594061 /nfs/dbraw/zinc/59/40/61/756594061.db2.gz UIUVGHNAIQVNSH-CABCVRRESA-N 1 1 347.802 0.990 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1COC(=O)N1 ZINC001010844095 756594063 /nfs/dbraw/zinc/59/40/63/756594063.db2.gz UIUVGHNAIQVNSH-CABCVRRESA-N 1 1 347.802 0.990 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010920917 756671120 /nfs/dbraw/zinc/67/11/20/756671120.db2.gz NUXWWLVZRKRFGM-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncccc2C)CC1 ZINC001010940786 756688432 /nfs/dbraw/zinc/68/84/32/756688432.db2.gz WQPXCMBFHKLYRB-INIZCTEOSA-N 1 1 340.427 0.772 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncccc2C)CC1 ZINC001010940786 756688435 /nfs/dbraw/zinc/68/84/35/756688435.db2.gz WQPXCMBFHKLYRB-INIZCTEOSA-N 1 1 340.427 0.772 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001010954661 756699520 /nfs/dbraw/zinc/69/95/20/756699520.db2.gz DLMHASTZCHJHHV-IHETXDGRSA-N 1 1 332.448 0.937 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000990896683 756759893 /nfs/dbraw/zinc/75/98/93/756759893.db2.gz REDVPPJLRHADED-ZDUSSCGKSA-N 1 1 343.431 0.805 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@H]12 ZINC000991658421 762503648 /nfs/dbraw/zinc/50/36/48/762503648.db2.gz UBYCEMQFMSKKOJ-SUMWQHHRSA-N 1 1 330.388 0.085 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)c1 ZINC001076741518 756959243 /nfs/dbraw/zinc/95/92/43/756959243.db2.gz LGVZCZQTZWBTMF-HZPDHXFCSA-N 1 1 325.372 0.116 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)c1 ZINC001076741518 756959252 /nfs/dbraw/zinc/95/92/52/756959252.db2.gz LGVZCZQTZWBTMF-HZPDHXFCSA-N 1 1 325.372 0.116 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC001011155469 757048901 /nfs/dbraw/zinc/04/89/01/757048901.db2.gz UGJSEUQAIUMQPO-HNNXBMFYSA-N 1 1 346.435 0.233 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011159280 757061697 /nfs/dbraw/zinc/06/16/97/757061697.db2.gz RNMFIYSRAIYQAK-GOSISDBHSA-N 1 1 339.439 0.833 20 30 ECEDMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1)NC1CCCC1 ZINC001048810434 757067777 /nfs/dbraw/zinc/06/77/77/757067777.db2.gz MRFFBYCVHIIPQD-IYBDPMFKSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@H]2C1 ZINC001048818586 757099231 /nfs/dbraw/zinc/09/92/31/757099231.db2.gz LDAWFTFONYFBSM-SOUVJXGZSA-N 1 1 341.415 0.176 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)nn1C ZINC001076784936 757113223 /nfs/dbraw/zinc/11/32/23/757113223.db2.gz LLRKAFKMKVUKLC-IAGOWNOFSA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)nn1C ZINC001076784936 757113227 /nfs/dbraw/zinc/11/32/27/757113227.db2.gz LLRKAFKMKVUKLC-IAGOWNOFSA-N 1 1 339.399 0.575 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCc1cn(C2C[NH+](CC[C@H](C)F)C2)nn1 ZINC001107163909 757196925 /nfs/dbraw/zinc/19/69/25/757196925.db2.gz HFAIZSAMMWSCNU-BLLLJJGKSA-N 1 1 339.415 0.826 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@H]2C1 ZINC001048860204 757205798 /nfs/dbraw/zinc/20/57/98/757205798.db2.gz KOAQWEFDZWBMLA-QLFBSQMISA-N 1 1 326.462 0.920 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)C[C@H]2C1 ZINC001048867962 757232556 /nfs/dbraw/zinc/23/25/56/757232556.db2.gz PWIPUIBPDFZQHL-RVKKMQEKSA-N 1 1 337.423 0.927 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@H]2C1 ZINC001048870173 757238377 /nfs/dbraw/zinc/23/83/77/757238377.db2.gz QZWFHEMQSKBKBG-IXDOHACOSA-N 1 1 339.443 0.859 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076811124 757252492 /nfs/dbraw/zinc/25/24/92/757252492.db2.gz AGACWUGKVCRIGR-IJLUTSLNSA-N 1 1 332.242 0.151 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O ZINC001076812766 757257878 /nfs/dbraw/zinc/25/78/78/757257878.db2.gz SQGIBRQJJRAOAT-QLFBSQMISA-N 1 1 334.445 0.375 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001051638000 762540632 /nfs/dbraw/zinc/54/06/32/762540632.db2.gz PDOCDSMEGZLABH-LBPRGKRZSA-N 1 1 341.843 0.911 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CC)C[C@H]2C1 ZINC001048910784 757366583 /nfs/dbraw/zinc/36/65/83/757366583.db2.gz JVPRTQGKVFAXOY-ZNMIVQPWSA-N 1 1 327.856 0.850 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C[C@H]2C1 ZINC001048910826 757366910 /nfs/dbraw/zinc/36/69/10/757366910.db2.gz KSXDEYRPOJUXKU-BETUJISGSA-N 1 1 325.372 0.691 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)c1 ZINC001076855650 757397533 /nfs/dbraw/zinc/39/75/33/757397533.db2.gz GMIZHBSTUBZFGH-JHJVBQTASA-N 1 1 340.330 0.085 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)c1 ZINC001076855650 757397541 /nfs/dbraw/zinc/39/75/41/757397541.db2.gz GMIZHBSTUBZFGH-JHJVBQTASA-N 1 1 340.330 0.085 20 30 ECEDMO C=CCCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)nn1 ZINC001021404004 757397906 /nfs/dbraw/zinc/39/79/06/757397906.db2.gz MESOCBAISISOAE-RLAWYHOSSA-N 1 1 346.435 0.453 20 30 ECEDMO C=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](CC)C(N)=O)nn1 ZINC001021403787 757398698 /nfs/dbraw/zinc/39/86/98/757398698.db2.gz CLWSLZPSLRPOBP-VYHDIPPYSA-N 1 1 346.435 0.453 20 30 ECEDMO C=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)nn1 ZINC001021404192 757398737 /nfs/dbraw/zinc/39/87/37/757398737.db2.gz XJNLNUJVKADEEE-ODWCKFRGSA-N 1 1 332.408 0.063 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3cnc[nH]c3=O)[C@@H](O)C2)c1 ZINC001083555220 757414954 /nfs/dbraw/zinc/41/49/54/757414954.db2.gz SDSLKWVCIIEDEQ-CABCVRRESA-N 1 1 339.355 0.029 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3cnc[nH]c3=O)[C@@H](O)C2)c1 ZINC001083555220 757414959 /nfs/dbraw/zinc/41/49/59/757414959.db2.gz SDSLKWVCIIEDEQ-CABCVRRESA-N 1 1 339.355 0.029 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3OCC(N)=O)C[C@H]2C1 ZINC001048929464 757441920 /nfs/dbraw/zinc/44/19/20/757441920.db2.gz ZFJIMBBCUYPTGD-OKILXGFUSA-N 1 1 327.384 0.188 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)C(F)(F)F)CC1 ZINC001011315101 757491085 /nfs/dbraw/zinc/49/10/85/757491085.db2.gz ZPHVCYFVMCZYIF-STQMWFEESA-N 1 1 345.365 0.953 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)C(F)(F)F)CC1 ZINC001011315101 757491089 /nfs/dbraw/zinc/49/10/89/757491089.db2.gz ZPHVCYFVMCZYIF-STQMWFEESA-N 1 1 345.365 0.953 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)C[C@@H]3C2)cc1 ZINC001048972897 757559831 /nfs/dbraw/zinc/55/98/31/757559831.db2.gz AONXHICHXPLBJP-HDICACEKSA-N 1 1 335.411 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2C1 ZINC001021564315 757605018 /nfs/dbraw/zinc/60/50/18/757605018.db2.gz FBPALZQAPDODRA-SOUVJXGZSA-N 1 1 341.415 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2C1 ZINC001021564315 757605021 /nfs/dbraw/zinc/60/50/21/757605021.db2.gz FBPALZQAPDODRA-SOUVJXGZSA-N 1 1 341.415 0.180 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(=O)n(C)cn2)C1 ZINC001021608471 757680225 /nfs/dbraw/zinc/68/02/25/757680225.db2.gz QIBQCEJAPDZOOD-GDBMZVCRSA-N 1 1 328.416 0.730 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2nc(C)cc(C#N)n2)C1 ZINC001107210538 757692344 /nfs/dbraw/zinc/69/23/44/757692344.db2.gz LXNGVXALEMTUGD-FOSCPCJNSA-N 1 1 344.419 0.462 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2nc(C)cc(C#N)n2)C1 ZINC001107210538 757692351 /nfs/dbraw/zinc/69/23/51/757692351.db2.gz LXNGVXALEMTUGD-FOSCPCJNSA-N 1 1 344.419 0.462 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001021633792 757716096 /nfs/dbraw/zinc/71/60/96/757716096.db2.gz UMCJPPLYUSAUGN-HIFRSBDPSA-N 1 1 329.400 0.943 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049035596 757753789 /nfs/dbraw/zinc/75/37/89/757753789.db2.gz LXMCIBOPWFXXFI-AHXJXLJNSA-N 1 1 333.432 0.784 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)ccc1F ZINC001021662389 757754634 /nfs/dbraw/zinc/75/46/34/757754634.db2.gz VCLKTIVUJZHINE-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](CCS(C)(=O)=O)C[C@@H]3C2)C1 ZINC001049046131 757772982 /nfs/dbraw/zinc/77/29/82/757772982.db2.gz IWSZGZBDTQERBD-OKILXGFUSA-N 1 1 326.462 0.778 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](CCS(C)(=O)=O)C[C@@H]3C2)C1 ZINC001049046131 757772988 /nfs/dbraw/zinc/77/29/88/757772988.db2.gz IWSZGZBDTQERBD-OKILXGFUSA-N 1 1 326.462 0.778 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@H]2C1 ZINC001049058279 757811191 /nfs/dbraw/zinc/81/11/91/757811191.db2.gz WJVJRFWTJYEBIW-GASCZTMLSA-N 1 1 342.443 0.550 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)nc3ccccc32)C1 ZINC001076984114 757836981 /nfs/dbraw/zinc/83/69/81/757836981.db2.gz WTYOJAMPCKJWNW-NVXWUHKLSA-N 1 1 326.400 0.529 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001021729876 757872830 /nfs/dbraw/zinc/87/28/30/757872830.db2.gz IFXMZFCJHQZILL-ZIAGYGMSSA-N 1 1 334.420 0.427 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@@H]2C1 ZINC001049069669 757874893 /nfs/dbraw/zinc/87/48/93/757874893.db2.gz LQEWRFJHIVMXJO-BARDWOONSA-N 1 1 342.461 0.012 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@H]2C1 ZINC001049069669 757874902 /nfs/dbraw/zinc/87/49/02/757874902.db2.gz LQEWRFJHIVMXJO-BARDWOONSA-N 1 1 342.461 0.012 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001021731685 757876069 /nfs/dbraw/zinc/87/60/69/757876069.db2.gz XHYGKIXNOMEWLX-ZIAGYGMSSA-N 1 1 334.420 0.427 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021734774 757879019 /nfs/dbraw/zinc/87/90/19/757879019.db2.gz ZQATXEYBMKIIJR-GXTWGEPZSA-N 1 1 332.404 0.598 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)nc1 ZINC000996527577 757894800 /nfs/dbraw/zinc/89/48/00/757894800.db2.gz JAOSPVTVOLOXPP-CQSZACIVSA-N 1 1 339.403 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1CC(OC)C1 ZINC001076997546 757903774 /nfs/dbraw/zinc/90/37/74/757903774.db2.gz XJOOZJCXHNBGDI-LBDPXKHJSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1CC(OC)C1 ZINC001076997546 757903779 /nfs/dbraw/zinc/90/37/79/757903779.db2.gz XJOOZJCXHNBGDI-LBDPXKHJSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)C3(N4CCOCC4)CCCC3)C[C@H]2C1 ZINC001049092678 757943313 /nfs/dbraw/zinc/94/33/13/757943313.db2.gz KKEYNICSGYPONF-CALCHBBNSA-N 1 1 331.460 0.655 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001077014402 757943805 /nfs/dbraw/zinc/94/38/05/757943805.db2.gz VAGDJUOIPVYIST-QBPKDAKJSA-N 1 1 342.443 0.339 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001049104690 757967645 /nfs/dbraw/zinc/96/76/45/757967645.db2.gz REZOADTXOHJVIP-OWYFMNJBSA-N 1 1 335.448 0.622 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C[C@H]2C1 ZINC001049108913 757982218 /nfs/dbraw/zinc/98/22/18/757982218.db2.gz LNTSNHUVHWMECB-ZNMIVQPWSA-N 1 1 341.477 0.377 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001049111496 757988070 /nfs/dbraw/zinc/98/80/70/757988070.db2.gz TXMRSGIKAWTUKW-NRKLIOEPSA-N 1 1 349.475 0.835 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)C(=O)N3CC[C@@H](C)C3)nn2)C1 ZINC001107229083 757990133 /nfs/dbraw/zinc/99/01/33/757990133.db2.gz BKFAVVCENAYHSK-CYBMUJFWSA-N 1 1 346.435 0.196 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C3CC4(C3)NC(=O)NC4=O)C[C@H]2C1 ZINC001049114044 757999515 /nfs/dbraw/zinc/99/95/15/757999515.db2.gz ZRJGZXQHVLKGGT-MBIJGJCISA-N 1 1 346.431 0.331 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001077034311 758010612 /nfs/dbraw/zinc/01/06/12/758010612.db2.gz RUQCPDNFYUFQCX-IXDOHACOSA-N 1 1 347.463 0.918 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001011574506 758035638 /nfs/dbraw/zinc/03/56/38/758035638.db2.gz KGHWQHLTWSTHSU-CABCVRRESA-N 1 1 332.404 0.453 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)nc1 ZINC001011574711 758037955 /nfs/dbraw/zinc/03/79/55/758037955.db2.gz BWKQDQITVCMUGE-UHFFFAOYSA-N 1 1 337.383 0.552 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001077046399 758047839 /nfs/dbraw/zinc/04/78/39/758047839.db2.gz PDKBEXTWSMZLMT-BZUAXINKSA-N 1 1 335.448 0.372 20 30 ECEDMO N#Cc1cccnc1NC/C=C/CNC(=O)CC[NH+]1CCOCC1 ZINC001107253929 758052211 /nfs/dbraw/zinc/05/22/11/758052211.db2.gz LHKSRYDILVIEQA-OWOJBTEDSA-N 1 1 329.404 0.760 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cccnc3)CCC[C@@H]12 ZINC001107254985 758055225 /nfs/dbraw/zinc/05/52/25/758055225.db2.gz KYHWTPDDCRAANS-VQIMIIECSA-N 1 1 340.427 0.805 20 30 ECEDMO C=CCCOCC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001077062841 758068554 /nfs/dbraw/zinc/06/85/54/758068554.db2.gz MUBHAMUFSNWQON-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001077067172 758080474 /nfs/dbraw/zinc/08/04/74/758080474.db2.gz PVUAXAVAUIHFJE-RBSFLKMASA-N 1 1 332.400 0.954 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049150085 758133059 /nfs/dbraw/zinc/13/30/59/758133059.db2.gz QUNQKXPKEIXBQW-GJZGRUSLSA-N 1 1 325.453 0.715 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001077101898 758180997 /nfs/dbraw/zinc/18/09/97/758180997.db2.gz DQYNGKMCQGLAAA-GDBMZVCRSA-N 1 1 342.403 0.403 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)SC)C[C@]2(C)C1 ZINC001101137679 758216220 /nfs/dbraw/zinc/21/62/20/758216220.db2.gz KWJMVGHCOKZSDW-IOASZLSFSA-N 1 1 325.478 0.820 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C3CC3)on2)C1 ZINC000996611034 758220436 /nfs/dbraw/zinc/22/04/36/758220436.db2.gz NCTFDGZZCSUHMN-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C3CC3)on2)C1 ZINC000996611034 758220444 /nfs/dbraw/zinc/22/04/44/758220444.db2.gz NCTFDGZZCSUHMN-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001077128797 758267456 /nfs/dbraw/zinc/26/74/56/758267456.db2.gz FPYQWIATHMBUGF-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001077128797 758267459 /nfs/dbraw/zinc/26/74/59/758267459.db2.gz FPYQWIATHMBUGF-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1[nH]c(C)nc1C ZINC001077124661 758286446 /nfs/dbraw/zinc/28/64/46/758286446.db2.gz BNYRJFIBBMVEII-WFASDCNBSA-N 1 1 345.447 0.749 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1[nH]c(C)nc1C ZINC001077124661 758286460 /nfs/dbraw/zinc/28/64/60/758286460.db2.gz BNYRJFIBBMVEII-WFASDCNBSA-N 1 1 345.447 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCn1ccnc1 ZINC001077125467 758291053 /nfs/dbraw/zinc/29/10/53/758291053.db2.gz VQSZOLODKKPYNJ-HOTGVXAUSA-N 1 1 345.447 0.382 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCn1ccnc1 ZINC001077125467 758291065 /nfs/dbraw/zinc/29/10/65/758291065.db2.gz VQSZOLODKKPYNJ-HOTGVXAUSA-N 1 1 345.447 0.382 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnc(C)[nH]3)CCC[C@@H]12 ZINC001107327863 758296237 /nfs/dbraw/zinc/29/62/37/758296237.db2.gz LDFIJASVRWAEFY-CRAIPNDOSA-N 1 1 343.431 0.442 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC001049207216 758307357 /nfs/dbraw/zinc/30/73/57/758307357.db2.gz XWKVNAQPHBWXCR-TXEJJXNPSA-N 1 1 325.796 0.278 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O ZINC001077159032 758376259 /nfs/dbraw/zinc/37/62/59/758376259.db2.gz KTKVUOODUNRYCQ-FRRDWIJNSA-N 1 1 333.354 0.198 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O ZINC001077159032 758376269 /nfs/dbraw/zinc/37/62/69/758376269.db2.gz KTKVUOODUNRYCQ-FRRDWIJNSA-N 1 1 333.354 0.198 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001077161407 758383304 /nfs/dbraw/zinc/38/33/04/758383304.db2.gz YMQQEWCBVKBTFN-KLHDSHLOSA-N 1 1 346.431 0.072 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC001107376713 758404370 /nfs/dbraw/zinc/40/43/70/758404370.db2.gz RESUTAYEBGIPSQ-RHSMWYFYSA-N 1 1 349.435 0.547 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001077169176 758406272 /nfs/dbraw/zinc/40/62/72/758406272.db2.gz RVBLQQQYHPLVQD-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC3(F)F)CCC[C@@H]12 ZINC001107391201 758426450 /nfs/dbraw/zinc/42/64/50/758426450.db2.gz WJEMBBXMCFMMHZ-YWPYICTPSA-N 1 1 340.374 0.642 20 30 ECEDMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077186110 758446524 /nfs/dbraw/zinc/44/65/24/758446524.db2.gz HCXXZYKRZBLAJT-ZIAGYGMSSA-N 1 1 341.371 0.271 20 30 ECEDMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077186110 758446530 /nfs/dbraw/zinc/44/65/30/758446530.db2.gz HCXXZYKRZBLAJT-ZIAGYGMSSA-N 1 1 341.371 0.271 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001049276429 758467985 /nfs/dbraw/zinc/46/79/85/758467985.db2.gz TWISWIXCARMMKU-BPUTZDHNSA-N 1 1 348.447 0.824 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)NC(=O)COC)CCC[C@@H]12 ZINC001107417719 758502106 /nfs/dbraw/zinc/50/21/06/758502106.db2.gz OBLHHVZTJGUNHY-IIDMSEBBSA-N 1 1 335.448 0.522 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001077217771 758540235 /nfs/dbraw/zinc/54/02/35/758540235.db2.gz DSWLOOSOCROENY-SQWLQELKSA-N 1 1 348.447 0.585 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)N1CCOCC1 ZINC001049377914 758593913 /nfs/dbraw/zinc/59/39/13/758593913.db2.gz JWJJVSFAOMRFOD-QLFBSQMISA-N 1 1 334.420 0.070 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)N1CCOCC1 ZINC001049377914 758593917 /nfs/dbraw/zinc/59/39/17/758593917.db2.gz JWJJVSFAOMRFOD-QLFBSQMISA-N 1 1 334.420 0.070 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)CC(N)=O)cc1 ZINC001049380626 758598887 /nfs/dbraw/zinc/59/88/87/758598887.db2.gz CBEMVHOVAOCMRS-JKSUJKDBSA-N 1 1 326.400 0.999 20 30 ECEDMO C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)c1c[nH]c(C#N)c1 ZINC001077254616 758605377 /nfs/dbraw/zinc/60/53/77/758605377.db2.gz GGJNYTPXKUBWNQ-WFASDCNBSA-N 1 1 331.420 0.995 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12 ZINC001107465011 758620213 /nfs/dbraw/zinc/62/02/13/758620213.db2.gz DSFNSZMYNVVHBB-RDTXWAMCSA-N 1 1 344.415 0.333 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001051668821 762645144 /nfs/dbraw/zinc/64/51/44/762645144.db2.gz HROXTQRIAXZQNP-ZFWWWQNUSA-N 1 1 340.387 0.663 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001077256975 758631440 /nfs/dbraw/zinc/63/14/40/758631440.db2.gz MQWSFQMRHJGDHK-HZPDHXFCSA-N 1 1 345.447 0.818 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C#N)c[nH]1 ZINC001049401975 758636110 /nfs/dbraw/zinc/63/61/10/758636110.db2.gz PCELQGAQPQXEBX-JKSUJKDBSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C#N)c[nH]1 ZINC001049401975 758636111 /nfs/dbraw/zinc/63/61/11/758636111.db2.gz PCELQGAQPQXEBX-JKSUJKDBSA-N 1 1 339.403 0.894 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001077274775 758665314 /nfs/dbraw/zinc/66/53/14/758665314.db2.gz CNSZZDSNDMTWES-HUUCEWRRSA-N 1 1 325.372 0.066 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001077296537 758723315 /nfs/dbraw/zinc/72/33/15/758723315.db2.gz PRBUDHGYFXPQAJ-GHMZBOCLSA-N 1 1 332.326 0.790 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001077292441 758733181 /nfs/dbraw/zinc/73/31/81/758733181.db2.gz DJULUNCFGMPCKR-ZYHUDNBSSA-N 1 1 334.405 0.075 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001077292441 758733188 /nfs/dbraw/zinc/73/31/88/758733188.db2.gz DJULUNCFGMPCKR-ZYHUDNBSSA-N 1 1 334.405 0.075 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001077305502 758740587 /nfs/dbraw/zinc/74/05/87/758740587.db2.gz HJLGUAGWEXSZPI-ZIAGYGMSSA-N 1 1 335.404 0.840 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnco3)CCC[C@@H]12 ZINC001107491292 758761461 /nfs/dbraw/zinc/76/14/61/758761461.db2.gz PAKJLZULKVKPOV-CZUORRHYSA-N 1 1 331.376 0.289 20 30 ECEDMO CC(C)[C@@H](F)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107509475 758780699 /nfs/dbraw/zinc/78/06/99/758780699.db2.gz JXBDOAHIYCGYGO-FRFSOERESA-N 1 1 338.427 0.981 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001077321882 758792736 /nfs/dbraw/zinc/79/27/36/758792736.db2.gz RBDDBGRVSIRLJP-IAGOWNOFSA-N 1 1 331.416 0.674 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001049504727 758817824 /nfs/dbraw/zinc/81/78/24/758817824.db2.gz INGOVUAJHMXSQA-ARFHVFGLSA-N 1 1 335.448 0.733 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001049505471 758819760 /nfs/dbraw/zinc/81/97/60/758819760.db2.gz PEQHYJUMZKFEAC-GVDBMIGSSA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C(=O)CC[NH+]1CCOCC1)C1CC(Nc2cnc(C#N)cn2)C1 ZINC001126972570 758871951 /nfs/dbraw/zinc/87/19/51/758871951.db2.gz VTMVJNBJHIGGHG-UHFFFAOYSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(=O)n(CCOC)c1 ZINC001049574346 758947186 /nfs/dbraw/zinc/94/71/86/758947186.db2.gz MXTONVHMFSPIQH-IAGOWNOFSA-N 1 1 343.427 0.807 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001049579626 758956693 /nfs/dbraw/zinc/95/66/93/758956693.db2.gz HRAIYQXRFANECG-CVEARBPZSA-N 1 1 346.431 0.755 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049580265 758957074 /nfs/dbraw/zinc/95/70/74/758957074.db2.gz UMEAPBRNNIKQKR-KGLIPLIRSA-N 1 1 332.404 0.590 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049580264 758957127 /nfs/dbraw/zinc/95/71/27/758957127.db2.gz UMEAPBRNNIKQKR-KBPBESRZSA-N 1 1 332.404 0.590 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001077385823 758970888 /nfs/dbraw/zinc/97/08/88/758970888.db2.gz KODNNWBOQNHMKU-NUEKZKHPSA-N 1 1 332.375 0.561 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001077385823 758970891 /nfs/dbraw/zinc/97/08/91/758970891.db2.gz KODNNWBOQNHMKU-NUEKZKHPSA-N 1 1 332.375 0.561 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC001077385822 758970933 /nfs/dbraw/zinc/97/09/33/758970933.db2.gz KODNNWBOQNHMKU-FVQBIDKESA-N 1 1 332.375 0.561 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC001077385822 758970935 /nfs/dbraw/zinc/97/09/35/758970935.db2.gz KODNNWBOQNHMKU-FVQBIDKESA-N 1 1 332.375 0.561 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nc2ccccn2c1=O ZINC001049627525 759011659 /nfs/dbraw/zinc/01/16/59/759011659.db2.gz XTCSLONWMXXYBB-CABCVRRESA-N 1 1 341.415 0.747 20 30 ECEDMO COC[C@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)C#CC(C)C)C2)nn1 ZINC001098669956 759086715 /nfs/dbraw/zinc/08/67/15/759086715.db2.gz ZMPMCAWEPMDPMG-HOCLYGCPSA-N 1 1 333.436 0.835 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnn(C)n3)C2)cc1 ZINC001022821656 759142011 /nfs/dbraw/zinc/14/20/11/759142011.db2.gz BIRQJNHYIXMKFY-GASCZTMLSA-N 1 1 339.399 0.878 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001022843139 759166818 /nfs/dbraw/zinc/16/68/18/759166818.db2.gz XGUFMLUDHMEVEP-XFMPKHEZSA-N 1 1 349.435 0.854 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nnnc1C(C)C ZINC001049773976 759188755 /nfs/dbraw/zinc/18/87/55/759188755.db2.gz UDVPLKPMMPVKJR-GJZGRUSLSA-N 1 1 330.436 0.885 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3C[C@@H](C)O)nn1 ZINC001049776303 759190589 /nfs/dbraw/zinc/19/05/89/759190589.db2.gz IUXJVRIVJKMCFB-FVQBIDKESA-N 1 1 333.436 0.914 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)NC)nn1 ZINC001049775874 759190649 /nfs/dbraw/zinc/19/06/49/759190649.db2.gz GLFLJPZFZAAOOY-CABCVRRESA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)NC)nn1 ZINC001049775874 759190653 /nfs/dbraw/zinc/19/06/53/759190653.db2.gz GLFLJPZFZAAOOY-CABCVRRESA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001049781204 759197657 /nfs/dbraw/zinc/19/76/57/759197657.db2.gz KZPHIFDTNUTHGX-DLBZAZTESA-N 1 1 329.448 0.757 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001049780518 759197713 /nfs/dbraw/zinc/19/77/13/759197713.db2.gz ICIBHRKATDWJQP-RBSFLKMASA-N 1 1 341.477 0.662 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2sccc2-n2cnnn2)[C@@H](O)C1 ZINC001083600613 759236333 /nfs/dbraw/zinc/23/63/33/759236333.db2.gz DCFULHDQFSDRKT-PWSUYJOCSA-N 1 1 334.405 0.075 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 ZINC000991088170 759262612 /nfs/dbraw/zinc/26/26/12/759262612.db2.gz KGEFJOXDUWJMFK-YJBOKZPZSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049841353 759285618 /nfs/dbraw/zinc/28/56/18/759285618.db2.gz RTXITBQZSRIEAU-NEPJUHHUSA-N 1 1 346.387 0.599 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O ZINC001049869059 759321691 /nfs/dbraw/zinc/32/16/91/759321691.db2.gz BOFUKFIQCVZNKU-HZPDHXFCSA-N 1 1 347.463 0.922 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001047629533 759340065 /nfs/dbraw/zinc/34/00/65/759340065.db2.gz JZRKIAMILAGABI-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001047633591 759354611 /nfs/dbraw/zinc/35/46/11/759354611.db2.gz FOTJQKXVJPXVRD-HRCADAONSA-N 1 1 332.375 0.656 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001047634099 759357248 /nfs/dbraw/zinc/35/72/48/759357248.db2.gz VYEUFVUMSZCBLP-GJZGRUSLSA-N 1 1 329.404 0.649 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001047634099 759357256 /nfs/dbraw/zinc/35/72/56/759357256.db2.gz VYEUFVUMSZCBLP-GJZGRUSLSA-N 1 1 329.404 0.649 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2c3ccccc3NC2=O)C1 ZINC001047645536 759396194 /nfs/dbraw/zinc/39/61/94/759396194.db2.gz WZIRTJVDTIOBRX-XIRDDKMYSA-N 1 1 341.411 0.639 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001047653819 759416070 /nfs/dbraw/zinc/41/60/70/759416070.db2.gz NITWTKPDBOYUCG-GJZGRUSLSA-N 1 1 330.388 0.582 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001047653819 759416077 /nfs/dbraw/zinc/41/60/77/759416077.db2.gz NITWTKPDBOYUCG-GJZGRUSLSA-N 1 1 330.388 0.582 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001047654388 759416189 /nfs/dbraw/zinc/41/61/89/759416189.db2.gz WDFLKCNEQZNXHO-HOTGVXAUSA-N 1 1 329.400 0.416 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001047654388 759416197 /nfs/dbraw/zinc/41/61/97/759416197.db2.gz WDFLKCNEQZNXHO-HOTGVXAUSA-N 1 1 329.400 0.416 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001054242953 767858659 /nfs/dbraw/zinc/85/86/59/767858659.db2.gz UJOATCNFUQCGLY-ZBFHGGJFSA-N 1 1 339.461 0.016 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001049998153 759522638 /nfs/dbraw/zinc/52/26/38/759522638.db2.gz CQEHYBFJGIWBLD-OFQRWUPVSA-N 1 1 348.447 0.364 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001049998153 759522647 /nfs/dbraw/zinc/52/26/47/759522647.db2.gz CQEHYBFJGIWBLD-OFQRWUPVSA-N 1 1 348.447 0.364 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001049998975 759524343 /nfs/dbraw/zinc/52/43/43/759524343.db2.gz PGHRXHCJLXDMJK-VNQPRFMTSA-N 1 1 328.416 0.968 20 30 ECEDMO Cn1nncc1C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001050025638 759564848 /nfs/dbraw/zinc/56/48/48/759564848.db2.gz DUGBURNMRRGBGG-BLLLJJGKSA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001050025638 759564854 /nfs/dbraw/zinc/56/48/54/759564854.db2.gz DUGBURNMRRGBGG-BLLLJJGKSA-N 1 1 339.403 0.751 20 30 ECEDMO CN(C(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)C#CC3CC3)[C@@H]2C1)C1CC1 ZINC001050044860 759608464 /nfs/dbraw/zinc/60/84/64/759608464.db2.gz QAYFJFONOYDXKT-DOTOQJQBSA-N 1 1 329.444 0.943 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@H]4CCOC4)[C@@H]3C2)C1=O ZINC001050057938 759629455 /nfs/dbraw/zinc/62/94/55/759629455.db2.gz VFYQCBOANMGRCL-LUKYLMHMSA-N 1 1 347.459 0.733 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nc1 ZINC001125110615 759701468 /nfs/dbraw/zinc/70/14/68/759701468.db2.gz KBROIMAWYSEWFL-INIZCTEOSA-N 1 1 342.403 0.414 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125110847 759703711 /nfs/dbraw/zinc/70/37/11/759703711.db2.gz MGALWKNTHPHSCV-LSDHHAIUSA-N 1 1 331.420 0.160 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 ZINC001050138794 759783338 /nfs/dbraw/zinc/78/33/38/759783338.db2.gz SMQBMQDBDTWKOQ-XUWVNRHRSA-N 1 1 335.448 0.731 20 30 ECEDMO COCc1noc(C[NH2+]C2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC000991221217 759828976 /nfs/dbraw/zinc/82/89/76/759828976.db2.gz MKZROWPBIMUSCD-UHFFFAOYSA-N 1 1 344.375 0.810 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc4n[nH]c(=O)n4c3)[C@@H]2C1 ZINC001050161298 759829732 /nfs/dbraw/zinc/82/97/32/759829732.db2.gz PSBJECUYOPGWKT-DZGCQCFKSA-N 1 1 339.399 0.995 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H](C)COC)nn2)C1 ZINC001098672438 759853570 /nfs/dbraw/zinc/85/35/70/759853570.db2.gz FJNWOKRBNWOCLF-ZBFHGGJFSA-N 1 1 349.435 0.216 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1 ZINC001050179596 759880288 /nfs/dbraw/zinc/88/02/88/759880288.db2.gz OGBMMWBNYQJGBW-WMLDXEAASA-N 1 1 343.431 0.799 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccnc4nc(C)nn43)[C@@H]2C1 ZINC001050180453 759882279 /nfs/dbraw/zinc/88/22/79/759882279.db2.gz FNJDTWCKJXTAJW-GOEBONIOSA-N 1 1 338.415 0.992 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)nc1 ZINC001050183994 759893099 /nfs/dbraw/zinc/89/30/99/759893099.db2.gz FNWFORIIIWEFOY-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)nc1 ZINC001050183994 759893107 /nfs/dbraw/zinc/89/31/07/759893107.db2.gz FNWFORIIIWEFOY-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)COc3ccc(C(N)=O)cc3)[C@@H]2C1 ZINC001050205578 759938831 /nfs/dbraw/zinc/93/88/31/759938831.db2.gz OHPZRTIOVUCAIE-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCN3C(N)=O)C2)c1 ZINC001032226719 759957840 /nfs/dbraw/zinc/95/78/40/759957840.db2.gz TYSXNPVTHHBHGR-INIZCTEOSA-N 1 1 341.415 0.649 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001050219867 759960330 /nfs/dbraw/zinc/96/03/30/759960330.db2.gz GQAOASBLAZPYDP-GJZGRUSLSA-N 1 1 345.447 0.947 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001012440463 760006209 /nfs/dbraw/zinc/00/62/09/760006209.db2.gz FMRCVJYKUYWIBQ-SMDDNHRTSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnccn2)C1=O ZINC001032257056 760154033 /nfs/dbraw/zinc/15/40/33/760154033.db2.gz HORIXPAXMKDOFD-YDHLFZDLSA-N 1 1 327.388 0.162 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnccn2)C1=O ZINC001032257056 760154040 /nfs/dbraw/zinc/15/40/40/760154040.db2.gz HORIXPAXMKDOFD-YDHLFZDLSA-N 1 1 327.388 0.162 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)[C@@H]2C)C1 ZINC001050346308 760157594 /nfs/dbraw/zinc/15/75/94/760157594.db2.gz DBYDMMZPBYCZAU-SNPRPXQTSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)[C@@H]2C)C1 ZINC001050346308 760157597 /nfs/dbraw/zinc/15/75/97/760157597.db2.gz DBYDMMZPBYCZAU-SNPRPXQTSA-N 1 1 344.419 0.152 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3nnn(C)n3)C2)cc1 ZINC001048331607 760318018 /nfs/dbraw/zinc/31/80/18/760318018.db2.gz QNZLFSNGLSMFJJ-BBRMVZONSA-N 1 1 338.415 0.689 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC001127046882 760458996 /nfs/dbraw/zinc/45/89/96/760458996.db2.gz VOLYWZNXYZKHBP-GFCCVEGCSA-N 1 1 328.372 0.580 20 30 ECEDMO C#CC[NH+]1CCC2(CN(C(=O)CS(=O)(=O)C3CCCC3)C2)CC1 ZINC001050562951 760499569 /nfs/dbraw/zinc/49/95/69/760499569.db2.gz FALLNSAEWRUJCP-UHFFFAOYSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C(C)=C/CC)C1 ZINC001048458679 760560976 /nfs/dbraw/zinc/56/09/76/760560976.db2.gz VQPCFWKFUVGKJK-NTTBBCTRSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C(C)=C/CC)C1 ZINC001048458679 760560981 /nfs/dbraw/zinc/56/09/81/760560981.db2.gz VQPCFWKFUVGKJK-NTTBBCTRSA-N 1 1 347.459 0.470 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNc1nccnc1C#N ZINC001054409695 767962329 /nfs/dbraw/zinc/96/23/29/767962329.db2.gz RVNPQYVSOIGNPV-HZSPNIEDSA-N 1 1 328.420 0.806 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048539092 760682416 /nfs/dbraw/zinc/68/24/16/760682416.db2.gz BFMOEBKMEKFVDD-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c(C)c[nH]c1CC(N)=O)C2 ZINC001048565434 760725149 /nfs/dbraw/zinc/72/51/49/760725149.db2.gz RPCPHBKTNFYLSZ-QDMKHBRRSA-N 1 1 342.443 0.957 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)cn1 ZINC001048583979 760755314 /nfs/dbraw/zinc/75/53/14/760755314.db2.gz QFWLYVXDZSFMIX-UTJXIGIESA-N 1 1 340.427 0.910 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1c1cnc(C#N)cn1 ZINC001048587155 760758938 /nfs/dbraw/zinc/75/89/38/760758938.db2.gz JVSIXWHZFHLXRD-RRFJBIMHSA-N 1 1 328.420 0.916 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1ccc(C#N)cn1 ZINC001048612877 760791158 /nfs/dbraw/zinc/79/11/58/760791158.db2.gz HRORKFPJYLWEKG-ARFHVFGLSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1ccc(C#N)cn1 ZINC001048612877 760791161 /nfs/dbraw/zinc/79/11/61/760791161.db2.gz HRORKFPJYLWEKG-ARFHVFGLSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1ccnc(C#N)n1 ZINC001048613481 760792427 /nfs/dbraw/zinc/79/24/27/760792427.db2.gz SENFCOJUBKAYCC-BFHYXJOUSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1ccnc(C#N)n1 ZINC001048613481 760792433 /nfs/dbraw/zinc/79/24/33/760792433.db2.gz SENFCOJUBKAYCC-BFHYXJOUSA-N 1 1 344.419 0.152 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)[C@@H](O)C1 ZINC001083670444 760902320 /nfs/dbraw/zinc/90/23/20/760902320.db2.gz AOYJUIBUCXQWKK-BBWFWOEESA-N 1 1 328.412 0.964 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)[C@@H](O)C1 ZINC001083670444 760902329 /nfs/dbraw/zinc/90/23/29/760902329.db2.gz AOYJUIBUCXQWKK-BBWFWOEESA-N 1 1 328.412 0.964 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048671148 760906730 /nfs/dbraw/zinc/90/67/30/760906730.db2.gz PRTTWGWIBAQYIJ-IYBDPMFKSA-N 1 1 337.387 0.135 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CCCC)[C@@H](O)C1 ZINC001083670898 760914867 /nfs/dbraw/zinc/91/48/67/760914867.db2.gz RQHZNYBURVBKQE-PMPSAXMXSA-N 1 1 325.453 0.225 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC000996044328 760964954 /nfs/dbraw/zinc/96/49/54/760964954.db2.gz CEZINORFSWFZAA-CABCVRRESA-N 1 1 332.404 0.500 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1ccc(C#N)cc1 ZINC001050848169 760991246 /nfs/dbraw/zinc/99/12/46/760991246.db2.gz CPPMCMMMYDNGAG-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO NC(=O)CC(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@@H]2C1 ZINC001048733146 761067478 /nfs/dbraw/zinc/06/74/78/761067478.db2.gz AILQFYZJZRNQNG-GASCZTMLSA-N 1 1 345.830 0.957 20 30 ECEDMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@@H]2C1 ZINC001048733146 761067485 /nfs/dbraw/zinc/06/74/85/761067485.db2.gz AILQFYZJZRNQNG-GASCZTMLSA-N 1 1 345.830 0.957 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)c(F)c1 ZINC001048733171 761069084 /nfs/dbraw/zinc/06/90/84/761069084.db2.gz BUYQMFNNGNXNIK-OKILXGFUSA-N 1 1 330.363 0.463 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)cc1F ZINC001048734486 761071670 /nfs/dbraw/zinc/07/16/70/761071670.db2.gz RYLCYAJSQLXUTN-OKILXGFUSA-N 1 1 330.363 0.463 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1c1cncc(C#N)n1 ZINC001050902986 761110529 /nfs/dbraw/zinc/11/05/29/761110529.db2.gz UORBHKDBZINQQM-SNPRPXQTSA-N 1 1 328.420 0.916 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001030031488 761201624 /nfs/dbraw/zinc/20/16/24/761201624.db2.gz RTRKAYUQQFFAPO-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001030031488 761201630 /nfs/dbraw/zinc/20/16/30/761201630.db2.gz RTRKAYUQQFFAPO-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001050954123 761213651 /nfs/dbraw/zinc/21/36/51/761213651.db2.gz QYAHIFZLCOOBGT-QZTJIDSGSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1nocc1C ZINC001050962031 761230303 /nfs/dbraw/zinc/23/03/03/761230303.db2.gz CYNMSKZFVYHCPI-RDJZCZTQSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1nocc1C ZINC001050962031 761230308 /nfs/dbraw/zinc/23/03/08/761230308.db2.gz CYNMSKZFVYHCPI-RDJZCZTQSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCCCCC=C)C[C@H]1OC ZINC001212150066 761319010 /nfs/dbraw/zinc/31/90/10/761319010.db2.gz NPDBCHWUHFZFIU-HZPDHXFCSA-N 1 1 335.448 0.688 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CC(=O)NCC3CC3)CC2)C1 ZINC001105731068 761384620 /nfs/dbraw/zinc/38/46/20/761384620.db2.gz LGYXQIUIIDJFMG-UHFFFAOYSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001051056344 761407442 /nfs/dbraw/zinc/40/74/42/761407442.db2.gz MTDYFAKVUPLVQG-OAHLLOKOSA-N 1 1 348.447 0.794 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001051056344 761407447 /nfs/dbraw/zinc/40/74/47/761407447.db2.gz MTDYFAKVUPLVQG-OAHLLOKOSA-N 1 1 348.447 0.794 20 30 ECEDMO C#CCN1CCOC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001051111847 761510579 /nfs/dbraw/zinc/51/05/79/761510579.db2.gz ZLSCJTQZZHLJSZ-AWEZNQCLSA-N 1 1 332.404 0.334 20 30 ECEDMO C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001051126187 761527669 /nfs/dbraw/zinc/52/76/69/761527669.db2.gz DDVVCOHUPYLUPG-OTWHNJEPSA-N 1 1 341.455 0.782 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001017492141 768055405 /nfs/dbraw/zinc/05/54/05/768055405.db2.gz FUQCORFJIBZYEE-HIFRSBDPSA-N 1 1 334.420 0.142 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001017492141 768055411 /nfs/dbraw/zinc/05/54/11/768055411.db2.gz FUQCORFJIBZYEE-HIFRSBDPSA-N 1 1 334.420 0.142 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001017493051 768056749 /nfs/dbraw/zinc/05/67/49/768056749.db2.gz VXCUVCAKLBMTCW-QGZVFWFLSA-N 1 1 345.443 0.395 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001017493051 768056752 /nfs/dbraw/zinc/05/67/52/768056752.db2.gz VXCUVCAKLBMTCW-QGZVFWFLSA-N 1 1 345.443 0.395 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2Cc2ccccc2C#N)C1 ZINC001051242618 761746846 /nfs/dbraw/zinc/74/68/46/761746846.db2.gz VGZMJKOFKYTCAQ-QZTJIDSGSA-N 1 1 342.443 0.827 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1cc(C#N)nc(CC)n1 ZINC001105917998 762755024 /nfs/dbraw/zinc/75/50/24/762755024.db2.gz UDTCIDLROXBQPH-AWEZNQCLSA-N 1 1 348.451 0.532 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 ZINC001105918083 762756316 /nfs/dbraw/zinc/75/63/16/762756316.db2.gz WHUVTHQIIXKTEH-OAHLLOKOSA-N 1 1 333.436 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnn3CCC)C2)C1=O ZINC001014586452 762866849 /nfs/dbraw/zinc/86/68/49/762866849.db2.gz MISZURSQSCMVHA-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnn3CCC)C2)C1=O ZINC001014586452 762866857 /nfs/dbraw/zinc/86/68/57/762866857.db2.gz MISZURSQSCMVHA-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ncccc2C#N)C[C@H]1O ZINC001051749112 762867496 /nfs/dbraw/zinc/86/74/96/762867496.db2.gz BOISJVRKXOYJBJ-LSDHHAIUSA-N 1 1 340.387 0.214 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001051757230 762889660 /nfs/dbraw/zinc/88/96/60/762889660.db2.gz ZTAADAVUBDDPNE-CYBMUJFWSA-N 1 1 349.435 0.338 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2cc[nH]n2)CC1 ZINC001017536642 768092377 /nfs/dbraw/zinc/09/23/77/768092377.db2.gz IVYYCSSHYADILU-INIZCTEOSA-N 1 1 341.415 0.396 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2cc[nH]n2)CC1 ZINC001017536642 768092385 /nfs/dbraw/zinc/09/23/85/768092385.db2.gz IVYYCSSHYADILU-INIZCTEOSA-N 1 1 341.415 0.396 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2ccn[nH]2)CC1 ZINC001017536642 768092393 /nfs/dbraw/zinc/09/23/93/768092393.db2.gz IVYYCSSHYADILU-INIZCTEOSA-N 1 1 341.415 0.396 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2ccn[nH]2)CC1 ZINC001017536642 768092401 /nfs/dbraw/zinc/09/24/01/768092401.db2.gz IVYYCSSHYADILU-INIZCTEOSA-N 1 1 341.415 0.396 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCN(C(N)=O)C3)CCC[C@H]12 ZINC000991715986 762917614 /nfs/dbraw/zinc/91/76/14/762917614.db2.gz ZWDUJOKTZJVBDA-RVKKMQEKSA-N 1 1 332.448 0.914 20 30 ECEDMO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1C[N@@H+](C[C@H](O)CN1CCCC1=O)C2 ZINC001017541876 768097599 /nfs/dbraw/zinc/09/75/99/768097599.db2.gz KJMMNNCZHISDPS-BBWFWOEESA-N 1 1 345.443 0.058 20 30 ECEDMO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1C[N@H+](C[C@H](O)CN1CCCC1=O)C2 ZINC001017541876 768097608 /nfs/dbraw/zinc/09/76/08/768097608.db2.gz KJMMNNCZHISDPS-BBWFWOEESA-N 1 1 345.443 0.058 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)nnn3CC)C2)C1=O ZINC001014692941 763002416 /nfs/dbraw/zinc/00/24/16/763002416.db2.gz CWJVCOUKRDSHSU-ZIAGYGMSSA-N 1 1 346.435 0.197 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)nnn3CC)C2)C1=O ZINC001014692941 763002421 /nfs/dbraw/zinc/00/24/21/763002421.db2.gz CWJVCOUKRDSHSU-ZIAGYGMSSA-N 1 1 346.435 0.197 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001014703040 763015466 /nfs/dbraw/zinc/01/54/66/763015466.db2.gz YOGKOMJOGMHHHF-UKRRQHHQSA-N 1 1 332.404 0.503 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cnc(C)o3)C2)C1=O ZINC001014703040 763015471 /nfs/dbraw/zinc/01/54/71/763015471.db2.gz YOGKOMJOGMHHHF-UKRRQHHQSA-N 1 1 332.404 0.503 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)cc1 ZINC001014712340 763027457 /nfs/dbraw/zinc/02/74/57/763027457.db2.gz RXIIBQHEYKLJDK-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3nocc3C)C2)c1 ZINC001051817152 763032321 /nfs/dbraw/zinc/03/23/21/763032321.db2.gz OFAZUVSCLUJESC-MRXNPFEDSA-N 1 1 340.383 0.990 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001014721157 763038662 /nfs/dbraw/zinc/03/86/62/763038662.db2.gz CGJBPBOJBYKNOI-ZDUSSCGKSA-N 1 1 345.403 0.030 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001014721157 763038670 /nfs/dbraw/zinc/03/86/70/763038670.db2.gz CGJBPBOJBYKNOI-ZDUSSCGKSA-N 1 1 345.403 0.030 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046778357 763111395 /nfs/dbraw/zinc/11/13/95/763111395.db2.gz DTGVZKWFQIDBQL-BBRMVZONSA-N 1 1 332.429 0.979 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046778357 763111399 /nfs/dbraw/zinc/11/13/99/763111399.db2.gz DTGVZKWFQIDBQL-BBRMVZONSA-N 1 1 332.429 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001046778036 763111411 /nfs/dbraw/zinc/11/14/11/763111411.db2.gz AEQGVTCJACROLC-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCN(CC)C3=O)C2)cn1 ZINC001046778036 763111413 /nfs/dbraw/zinc/11/14/13/763111413.db2.gz AEQGVTCJACROLC-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001046782703 763119085 /nfs/dbraw/zinc/11/90/85/763119085.db2.gz DHUAXLTYWNSPTI-YJBOKZPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001046782703 763119088 /nfs/dbraw/zinc/11/90/88/763119088.db2.gz DHUAXLTYWNSPTI-YJBOKZPZSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(CCC)no2)C1 ZINC001014769244 763124723 /nfs/dbraw/zinc/12/47/23/763124723.db2.gz JKCLBSVPMIEPDW-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(CCC)no2)C1 ZINC001014769244 763124728 /nfs/dbraw/zinc/12/47/28/763124728.db2.gz JKCLBSVPMIEPDW-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001014777530 763137150 /nfs/dbraw/zinc/13/71/50/763137150.db2.gz YBEUPZHCJPZHKZ-OALUTQOASA-N 1 1 341.455 0.967 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001105973182 763139562 /nfs/dbraw/zinc/13/95/62/763139562.db2.gz VZKQWFYHXCNTNN-CABCVRRESA-N 1 1 331.420 0.715 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001105973301 763139579 /nfs/dbraw/zinc/13/95/79/763139579.db2.gz WJUXZXUYDPZSJS-JSGCOSHPSA-N 1 1 332.408 0.110 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001014779570 763140327 /nfs/dbraw/zinc/14/03/27/763140327.db2.gz MKKYDNNWJJXSLW-HOTGVXAUSA-N 1 1 349.866 0.825 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001014779570 763140331 /nfs/dbraw/zinc/14/03/31/763140331.db2.gz MKKYDNNWJJXSLW-HOTGVXAUSA-N 1 1 349.866 0.825 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)c1 ZINC001014810529 763211223 /nfs/dbraw/zinc/21/12/23/763211223.db2.gz HSEYZUNKEBCEHV-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2ncnn2)cc1 ZINC001017558265 768118001 /nfs/dbraw/zinc/11/80/01/768118001.db2.gz RZGUXNSWHWROLR-IYBDPMFKSA-N 1 1 337.387 0.420 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2ncnn2)cc1 ZINC001017558265 768118003 /nfs/dbraw/zinc/11/80/03/768118003.db2.gz RZGUXNSWHWROLR-IYBDPMFKSA-N 1 1 337.387 0.420 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001046885099 763297716 /nfs/dbraw/zinc/29/77/16/763297716.db2.gz BLSQAIDIIOCNJS-KSSFIOAISA-N 1 1 345.447 0.947 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@H]2O)C1 ZINC000991766218 763333552 /nfs/dbraw/zinc/33/35/52/763333552.db2.gz XUFXZKOZQRCEKH-LSDHHAIUSA-N 1 1 346.431 0.777 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@](C)(C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001046900357 763343508 /nfs/dbraw/zinc/34/35/08/763343508.db2.gz BWUWBAJUAZZFAQ-QFBILLFUSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@](C)(C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001046900353 763343645 /nfs/dbraw/zinc/34/36/45/763343645.db2.gz BWUWBAJUAZZFAQ-APWZRJJASA-N 1 1 346.475 0.048 20 30 ECEDMO CCN(CCNc1nccnc1C#N)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001106921597 763347058 /nfs/dbraw/zinc/34/70/58/763347058.db2.gz NKZOKRKYWYDKMI-HNNXBMFYSA-N 1 1 346.435 0.718 20 30 ECEDMO CCN(CCNc1nccnc1C#N)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001106921597 763347069 /nfs/dbraw/zinc/34/70/69/763347069.db2.gz NKZOKRKYWYDKMI-HNNXBMFYSA-N 1 1 346.435 0.718 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 ZINC001127684847 763402668 /nfs/dbraw/zinc/40/26/68/763402668.db2.gz YUWKQOJJDZAHFF-UHFFFAOYSA-N 1 1 328.420 0.943 20 30 ECEDMO COCC(=O)N1CC[C@H]([NH+]2CCN(Cc3ccccc3C#N)CC2)C1 ZINC001051956762 763446038 /nfs/dbraw/zinc/44/60/38/763446038.db2.gz SZFIERPJHOCPBX-SFHVURJKSA-N 1 1 342.443 0.923 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000995088154 763446307 /nfs/dbraw/zinc/44/63/07/763446307.db2.gz RANDBYCZPYNMLX-XHSDSOJGSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001046953898 763453954 /nfs/dbraw/zinc/45/39/54/763453954.db2.gz MRXFANOLWDPLQN-ZIAGYGMSSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001046953898 763453957 /nfs/dbraw/zinc/45/39/57/763453957.db2.gz MRXFANOLWDPLQN-ZIAGYGMSSA-N 1 1 329.391 0.414 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000995086960 763454200 /nfs/dbraw/zinc/45/42/00/763454200.db2.gz LPZDABNPRJYBPY-OAGGEKHMSA-N 1 1 335.448 0.779 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001046956645 763460024 /nfs/dbraw/zinc/46/00/24/763460024.db2.gz BLWILTLPROHDRP-ZDUSSCGKSA-N 1 1 348.357 0.835 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001046956645 763460029 /nfs/dbraw/zinc/46/00/29/763460029.db2.gz BLWILTLPROHDRP-ZDUSSCGKSA-N 1 1 348.357 0.835 20 30 ECEDMO CN1C[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)NC1=O ZINC001031902403 763472356 /nfs/dbraw/zinc/47/23/56/763472356.db2.gz MCOFHRYIWYTYSF-INIZCTEOSA-N 1 1 326.400 0.110 20 30 ECEDMO C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046964174 763475580 /nfs/dbraw/zinc/47/55/80/763475580.db2.gz NBNOKVHIQINBNG-GJZGRUSLSA-N 1 1 343.418 0.802 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[N@@H+](C[C@@H](C)O)CCC2(F)F)nn1 ZINC001046978102 763498420 /nfs/dbraw/zinc/49/84/20/763498420.db2.gz PJUFXXADCRVJQO-NEPJUHHUSA-N 1 1 343.378 0.532 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[N@@H+](CCOC)CCC2(F)F)nn1 ZINC001046978404 763499614 /nfs/dbraw/zinc/49/96/14/763499614.db2.gz RWVYGVORZOACES-LBPRGKRZSA-N 1 1 343.378 0.798 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001046984815 763514863 /nfs/dbraw/zinc/51/48/63/763514863.db2.gz YNLWHSSCFWRSBT-GFCCVEGCSA-N 1 1 338.358 0.824 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001127320002 768140336 /nfs/dbraw/zinc/14/03/36/768140336.db2.gz JUFBYIXBZQMBGX-AWEZNQCLSA-N 1 1 331.420 0.792 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001046992032 763526897 /nfs/dbraw/zinc/52/68/97/763526897.db2.gz RURFQCSMAFCDON-IHRRRGAJSA-N 1 1 328.420 0.561 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)n3cccn3)C2)CC1 ZINC001051990074 763528021 /nfs/dbraw/zinc/52/80/21/763528021.db2.gz LPZBDKJDMYPYQS-DLBZAZTESA-N 1 1 329.448 0.686 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001046995801 763535602 /nfs/dbraw/zinc/53/56/02/763535602.db2.gz LGDIXOKLGPJXGN-NSHDSACASA-N 1 1 336.342 0.501 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001046995801 763535605 /nfs/dbraw/zinc/53/56/05/763535605.db2.gz LGDIXOKLGPJXGN-NSHDSACASA-N 1 1 336.342 0.501 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001052013254 763585289 /nfs/dbraw/zinc/58/52/89/763585289.db2.gz UGIZQCDUPWVPRD-QGZVFWFLSA-N 1 1 325.416 0.742 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)C1 ZINC001106004156 763610330 /nfs/dbraw/zinc/61/03/30/763610330.db2.gz NIAAJRGZCFPLSO-PBHICJAKSA-N 1 1 345.447 0.820 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)CC1 ZINC001052025478 763615588 /nfs/dbraw/zinc/61/55/88/763615588.db2.gz FOJOKXLRIPGFHU-SJORKVTESA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(Cl)cnn3C)C2)CC1 ZINC001052027774 763622658 /nfs/dbraw/zinc/62/26/58/763622658.db2.gz JOGYFSXKWYMRCX-ZDUSSCGKSA-N 1 1 335.839 0.539 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(Cl)cnn3C)C2)CC1 ZINC001052027765 763622749 /nfs/dbraw/zinc/62/27/49/763622749.db2.gz JOGYFSXKWYMRCX-CYBMUJFWSA-N 1 1 335.839 0.539 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)CC1 ZINC001052028778 763625142 /nfs/dbraw/zinc/62/51/42/763625142.db2.gz SZOMBOUQZRDFHK-BZSNNMDCSA-N 1 1 333.476 0.899 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030070 763628091 /nfs/dbraw/zinc/62/80/91/763628091.db2.gz GVPOHJXRJDTWFL-CVEARBPZSA-N 1 1 331.464 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030070 763628094 /nfs/dbraw/zinc/62/80/94/763628094.db2.gz GVPOHJXRJDTWFL-CVEARBPZSA-N 1 1 331.464 0.928 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)CC1 ZINC001052030423 763629660 /nfs/dbraw/zinc/62/96/60/763629660.db2.gz NUPDEYCHCZNNOW-BRWVUGGUSA-N 1 1 346.475 0.143 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031486 763632558 /nfs/dbraw/zinc/63/25/58/763632558.db2.gz PNCBPMRKTQRZTC-KRWDZBQOSA-N 1 1 331.464 0.850 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031486 763632562 /nfs/dbraw/zinc/63/25/62/763632562.db2.gz PNCBPMRKTQRZTC-KRWDZBQOSA-N 1 1 331.464 0.850 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032935 763636902 /nfs/dbraw/zinc/63/69/02/763636902.db2.gz KUAOXGSESXOZNS-KRWDZBQOSA-N 1 1 327.432 0.261 20 30 ECEDMO Cn1ccc(CCC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052035496 763642380 /nfs/dbraw/zinc/64/23/80/763642380.db2.gz KLEDANOITHJGEZ-MRXNPFEDSA-N 1 1 330.436 0.095 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccn(C)n3)C2)CC1 ZINC001052035806 763644574 /nfs/dbraw/zinc/64/45/74/763644574.db2.gz QKWBVDKQFFJRBC-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052035801 763645186 /nfs/dbraw/zinc/64/51/86/763645186.db2.gz QITCJZNWZJJRAM-MRXNPFEDSA-N 1 1 329.448 0.847 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C2)CC1 ZINC001052036064 763646696 /nfs/dbraw/zinc/64/66/96/763646696.db2.gz YQLVDIZNABVUPX-CYBMUJFWSA-N 1 1 339.403 0.314 20 30 ECEDMO N#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001052036329 763647285 /nfs/dbraw/zinc/64/72/85/763647285.db2.gz LKUXGZRVGDNAQO-JKSUJKDBSA-N 1 1 342.447 0.503 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C2)CC1 ZINC001052037278 763653651 /nfs/dbraw/zinc/65/36/51/763653651.db2.gz JLXJQNQSOLLCHH-CQSZACIVSA-N 1 1 331.420 0.294 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001077574317 763659030 /nfs/dbraw/zinc/65/90/30/763659030.db2.gz XBPJAOHBTOBNJF-YNEHKIRRSA-N 1 1 333.354 0.055 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001077574317 763659035 /nfs/dbraw/zinc/65/90/35/763659035.db2.gz XBPJAOHBTOBNJF-YNEHKIRRSA-N 1 1 333.354 0.055 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052042336 763671034 /nfs/dbraw/zinc/67/10/34/763671034.db2.gz AYJIJKLEUYTZMA-APWZRJJASA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C3CCC(C(N)=O)CC3)C2)CC1 ZINC001052045187 763682345 /nfs/dbraw/zinc/68/23/45/763682345.db2.gz RDXDVBRXRSYZNQ-JCYILVPMSA-N 1 1 348.491 0.683 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C3CCC(C(N)=O)CC3)C2)CC1 ZINC001052045187 763682346 /nfs/dbraw/zinc/68/23/46/763682346.db2.gz RDXDVBRXRSYZNQ-JCYILVPMSA-N 1 1 348.491 0.683 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052046895 763688439 /nfs/dbraw/zinc/68/84/39/763688439.db2.gz GIQZYNGVZWVGSR-ZWKOTPCHSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052046895 763688441 /nfs/dbraw/zinc/68/84/41/763688441.db2.gz GIQZYNGVZWVGSR-ZWKOTPCHSA-N 1 1 348.491 0.649 20 30 ECEDMO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001015024548 763692128 /nfs/dbraw/zinc/69/21/28/763692128.db2.gz NMTFPNLFEIWWDT-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001015025872 763694906 /nfs/dbraw/zinc/69/49/06/763694906.db2.gz SIGQJYCEOQJQFU-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052048889 763699341 /nfs/dbraw/zinc/69/93/41/763699341.db2.gz FLADZCNSCAYAQT-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052048889 763699343 /nfs/dbraw/zinc/69/93/43/763699343.db2.gz FLADZCNSCAYAQT-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001052050168 763705013 /nfs/dbraw/zinc/70/50/13/763705013.db2.gz JCKGOAOZDIYJGN-ZIAGYGMSSA-N 1 1 340.493 0.794 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C2)CC1 ZINC001052050712 763708441 /nfs/dbraw/zinc/70/84/41/763708441.db2.gz YECJHVVKXWXAIT-CYBMUJFWSA-N 1 1 341.419 0.371 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C2)CC1 ZINC001052050712 763708444 /nfs/dbraw/zinc/70/84/44/763708444.db2.gz YECJHVVKXWXAIT-CYBMUJFWSA-N 1 1 341.419 0.371 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4nccn4c3)C2)CC1 ZINC001052052646 763717376 /nfs/dbraw/zinc/71/73/76/763717376.db2.gz SMDPQDAHXRJTKO-MRXNPFEDSA-N 1 1 340.431 0.747 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)c1 ZINC001015041861 763734697 /nfs/dbraw/zinc/73/46/97/763734697.db2.gz HMWLUQOCDNUVNQ-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C2)CC1 ZINC001052060025 763738760 /nfs/dbraw/zinc/73/87/60/763738760.db2.gz WKHJBJNISHNVSC-QGZVFWFLSA-N 1 1 345.491 0.984 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C2)CC1 ZINC001052060025 763738765 /nfs/dbraw/zinc/73/87/65/763738765.db2.gz WKHJBJNISHNVSC-QGZVFWFLSA-N 1 1 345.491 0.984 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC3=CCOCC3)C2)CC1 ZINC001052074331 763779676 /nfs/dbraw/zinc/77/96/76/763779676.db2.gz AMSQXKPZJIDEQF-GOSISDBHSA-N 1 1 331.460 0.965 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)Oc3cccnc3)C2)CC1 ZINC001052079520 763792958 /nfs/dbraw/zinc/79/29/58/763792958.db2.gz BWIRISIIKQDVOX-SJORKVTESA-N 1 1 342.443 0.701 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052081946 763800386 /nfs/dbraw/zinc/80/03/86/763800386.db2.gz GTFHNUFUSXCOLK-QGZVFWFLSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)C2)CC1 ZINC001052082481 763801811 /nfs/dbraw/zinc/80/18/11/763801811.db2.gz SWPXDTUFXHKJEM-HOTGVXAUSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C3(CF)CCOCC3)CC2)C1 ZINC000941567552 763802497 /nfs/dbraw/zinc/80/24/97/763802497.db2.gz WHZNZAVFQYYMOX-UHFFFAOYSA-N 1 1 337.439 0.604 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3ccc(C)n3)C2)CC1 ZINC001052085249 763811059 /nfs/dbraw/zinc/81/10/59/763811059.db2.gz BKQSRXGKRKMQKL-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3c[nH]nn3)C2)CC1 ZINC001052087247 763816198 /nfs/dbraw/zinc/81/61/98/763816198.db2.gz QFLKSTKBPCRHQU-KRWDZBQOSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3cnn[nH]3)C2)CC1 ZINC001052087247 763816206 /nfs/dbraw/zinc/81/62/06/763816206.db2.gz QFLKSTKBPCRHQU-KRWDZBQOSA-N 1 1 346.479 0.922 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603774 763816391 /nfs/dbraw/zinc/81/63/91/763816391.db2.gz OJXJSSVZIRPYMY-WBVHZDCISA-N 1 1 331.464 0.355 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ncccn3)C2)CC1 ZINC001052098990 763856124 /nfs/dbraw/zinc/85/61/24/763856124.db2.gz DUTCOTHLHJSKFI-MRXNPFEDSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3ncccn3)C2)CC1 ZINC001052098990 763856127 /nfs/dbraw/zinc/85/61/27/763856127.db2.gz DUTCOTHLHJSKFI-MRXNPFEDSA-N 1 1 329.448 0.814 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@H]3CCCOC3)C2)CC1 ZINC001052102217 763864717 /nfs/dbraw/zinc/86/47/17/763864717.db2.gz COFJRMZAIBVSGK-IAGOWNOFSA-N 1 1 334.464 0.935 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccc(C#N)nc2)C1 ZINC001106343872 768170696 /nfs/dbraw/zinc/17/06/96/768170696.db2.gz DZFAFALZEPDYTG-CJNGLKHVSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2ccc(C#N)nc2)C1 ZINC001106343872 768170700 /nfs/dbraw/zinc/17/07/00/768170700.db2.gz DZFAFALZEPDYTG-CJNGLKHVSA-N 1 1 331.420 0.981 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)CC1 ZINC001052103737 763870913 /nfs/dbraw/zinc/87/09/13/763870913.db2.gz UEJKPTQOZFKXIU-FUHWJXTLSA-N 1 1 343.475 0.450 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3conc3COC)C2)CC1 ZINC001052108693 763891461 /nfs/dbraw/zinc/89/14/61/763891461.db2.gz OWIPAMDQZWIOIF-AWEZNQCLSA-N 1 1 334.420 0.839 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)CC1 ZINC001052112894 763909280 /nfs/dbraw/zinc/90/92/80/763909280.db2.gz GYBWHDZIGWWCDB-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)CC1 ZINC001052112894 763909284 /nfs/dbraw/zinc/90/92/84/763909284.db2.gz GYBWHDZIGWWCDB-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)nn(C)c3F)C2)CC1 ZINC001052113074 763910729 /nfs/dbraw/zinc/91/07/29/763910729.db2.gz LTPGBMQGRQBOIA-OAHLLOKOSA-N 1 1 347.438 0.723 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)cc(=O)[nH]c3C)C2)CC1 ZINC001052119011 763935206 /nfs/dbraw/zinc/93/52/06/763935206.db2.gz GRWOKCPBBVOKCA-MRXNPFEDSA-N 1 1 342.443 0.869 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)CC1 ZINC001052119378 763936418 /nfs/dbraw/zinc/93/64/18/763936418.db2.gz QCXMNSVMNXEWMR-HZPDHXFCSA-N 1 1 344.463 0.245 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)CC1 ZINC001052119378 763936426 /nfs/dbraw/zinc/93/64/26/763936426.db2.gz QCXMNSVMNXEWMR-HZPDHXFCSA-N 1 1 344.463 0.245 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052120140 763937841 /nfs/dbraw/zinc/93/78/41/763937841.db2.gz ZIKZZLJFKKAKGX-GDBMZVCRSA-N 1 1 342.447 0.257 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121856 763943983 /nfs/dbraw/zinc/94/39/83/763943983.db2.gz ITJOAKVURBHIJB-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121856 763943992 /nfs/dbraw/zinc/94/39/92/763943992.db2.gz ITJOAKVURBHIJB-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(CC)n(C)n3)C2)CC1 ZINC001052123101 763948822 /nfs/dbraw/zinc/94/88/22/763948822.db2.gz BPUMTXIXUFMFNK-INIZCTEOSA-N 1 1 329.448 0.448 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123902 763951507 /nfs/dbraw/zinc/95/15/07/763951507.db2.gz SUDKNSJOARJCRF-SJLPKXTDSA-N 1 1 343.475 0.765 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cscn3)C2)CC1 ZINC001052124053 763951560 /nfs/dbraw/zinc/95/15/60/763951560.db2.gz XUCHLTUACGPPAJ-OAHLLOKOSA-N 1 1 333.461 0.818 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001047310598 763951600 /nfs/dbraw/zinc/95/16/00/763951600.db2.gz VMPFLICOXRHZHS-BFHYXJOUSA-N 1 1 328.420 0.997 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cscn3)C2)CC1 ZINC001052124207 763952554 /nfs/dbraw/zinc/95/25/54/763952554.db2.gz ZXADYNJBOTXJQG-MRXNPFEDSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC34CCOCC4)C2)CC1 ZINC001052131684 763962636 /nfs/dbraw/zinc/96/26/36/763962636.db2.gz WZXZDWGIYLYLEB-DLBZAZTESA-N 1 1 331.460 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2ccc(C#N)nn2)C1 ZINC001052132575 763963834 /nfs/dbraw/zinc/96/38/34/763963834.db2.gz YFKXBMUGLGOKDS-BCLQGDPASA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2ccc(C#N)nn2)C1 ZINC001052132575 763963838 /nfs/dbraw/zinc/96/38/38/763963838.db2.gz YFKXBMUGLGOKDS-BCLQGDPASA-N 1 1 338.415 0.753 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001052190027 764029949 /nfs/dbraw/zinc/02/99/49/764029949.db2.gz HAAXJISPOPUANS-NSHDSACASA-N 1 1 343.229 0.552 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001052190027 764029952 /nfs/dbraw/zinc/02/99/52/764029952.db2.gz HAAXJISPOPUANS-NSHDSACASA-N 1 1 343.229 0.552 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001047353169 764086997 /nfs/dbraw/zinc/08/69/97/764086997.db2.gz BXFHWIDOJPFSNO-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001047353169 764087007 /nfs/dbraw/zinc/08/70/07/764087007.db2.gz BXFHWIDOJPFSNO-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO Cc1cccnc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047354430 764092391 /nfs/dbraw/zinc/09/23/91/764092391.db2.gz XCDTUYBJQOHOCZ-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1cccnc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047354430 764092395 /nfs/dbraw/zinc/09/23/95/764092395.db2.gz XCDTUYBJQOHOCZ-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnns3)CC2)C1=O ZINC001052232794 764101662 /nfs/dbraw/zinc/10/16/62/764101662.db2.gz PNORUSBIMNEKLO-CHWSQXEVSA-N 1 1 349.460 0.909 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777839 764106307 /nfs/dbraw/zinc/10/63/07/764106307.db2.gz OVLQLFNVZXZAQH-KEYYUXOJSA-N 1 1 327.444 0.936 20 30 ECEDMO C=CCCN1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777839 764106315 /nfs/dbraw/zinc/10/63/15/764106315.db2.gz OVLQLFNVZXZAQH-KEYYUXOJSA-N 1 1 327.444 0.936 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)co1 ZINC001089863140 764122269 /nfs/dbraw/zinc/12/22/69/764122269.db2.gz UWZRVPRQUASOGZ-MYPMTAMASA-N 1 1 327.384 0.794 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)nc3ccccc32)C1 ZINC001047375634 764153056 /nfs/dbraw/zinc/15/30/56/764153056.db2.gz DKHNPRKOHXBQCZ-IRXDYDNUSA-N 1 1 326.400 0.481 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)nc3ccccc32)C1 ZINC001047375634 764153064 /nfs/dbraw/zinc/15/30/64/764153064.db2.gz DKHNPRKOHXBQCZ-IRXDYDNUSA-N 1 1 326.400 0.481 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001047379766 764166917 /nfs/dbraw/zinc/16/69/17/764166917.db2.gz MJSKSQVIEHBHTD-PVAVHDDUSA-N 1 1 348.447 0.846 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C3CCC3)cnn2C)C1 ZINC001047387178 764184605 /nfs/dbraw/zinc/18/46/05/764184605.db2.gz HGCVCEMRZAIVEV-HOTGVXAUSA-N 1 1 330.432 0.828 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C3CCC3)cnn2C)C1 ZINC001047387178 764184612 /nfs/dbraw/zinc/18/46/12/764184612.db2.gz HGCVCEMRZAIVEV-HOTGVXAUSA-N 1 1 330.432 0.828 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001047397250 764210489 /nfs/dbraw/zinc/21/04/89/764210489.db2.gz PNPPXRQNRJGZID-KKUMJFAQSA-N 1 1 332.400 0.906 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2NC(C)=O)C1 ZINC001047405652 764239355 /nfs/dbraw/zinc/23/93/55/764239355.db2.gz OVIJLMCYESJPPF-GJZGRUSLSA-N 1 1 332.404 0.733 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)c(OC)c2C)C1 ZINC001047421325 764294365 /nfs/dbraw/zinc/29/43/65/764294365.db2.gz BFIHYYFABDSLLT-GJZGRUSLSA-N 1 1 332.400 0.763 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)c(OC)c2C)C1 ZINC001047421325 764294371 /nfs/dbraw/zinc/29/43/71/764294371.db2.gz BFIHYYFABDSLLT-GJZGRUSLSA-N 1 1 332.400 0.763 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)CNc2ccncc2C#N)C1 ZINC001106069454 764301344 /nfs/dbraw/zinc/30/13/44/764301344.db2.gz RANWTDQSVULHQL-GDBMZVCRSA-N 1 1 345.447 0.386 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001052351880 764313967 /nfs/dbraw/zinc/31/39/67/764313967.db2.gz GYKYILXSXJNLAK-MNOVXSKESA-N 1 1 346.225 0.974 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001052351880 764313975 /nfs/dbraw/zinc/31/39/75/764313975.db2.gz GYKYILXSXJNLAK-MNOVXSKESA-N 1 1 346.225 0.974 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001047427801 764314161 /nfs/dbraw/zinc/31/41/61/764314161.db2.gz IRVNDHRBVQZAPB-BPUTZDHNSA-N 1 1 330.432 0.606 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001047427801 764314170 /nfs/dbraw/zinc/31/41/70/764314170.db2.gz IRVNDHRBVQZAPB-BPUTZDHNSA-N 1 1 330.432 0.606 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnnc3)[C@H]2C)C1=O ZINC001088879049 764339808 /nfs/dbraw/zinc/33/98/08/764339808.db2.gz DHJHIFHPTFOMEU-VHDGCEQUSA-N 1 1 329.404 0.456 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnnc3)[C@H]2C)C1=O ZINC001088879049 764339811 /nfs/dbraw/zinc/33/98/11/764339811.db2.gz DHJHIFHPTFOMEU-VHDGCEQUSA-N 1 1 329.404 0.456 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001077478417 764340187 /nfs/dbraw/zinc/34/01/87/764340187.db2.gz ADAOGZAWGGANFZ-HUUCEWRRSA-N 1 1 329.404 0.697 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001077478417 764340189 /nfs/dbraw/zinc/34/01/89/764340189.db2.gz ADAOGZAWGGANFZ-HUUCEWRRSA-N 1 1 329.404 0.697 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001047438662 764347628 /nfs/dbraw/zinc/34/76/28/764347628.db2.gz PVMZJLZSSXEZBH-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 ZINC001098785221 768206865 /nfs/dbraw/zinc/20/68/65/768206865.db2.gz QCJRDTHFHCUJDB-CVEARBPZSA-N 1 1 345.451 0.539 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccccc3c2O)C1 ZINC001047441102 764354162 /nfs/dbraw/zinc/35/41/62/764354162.db2.gz DKVOWRWUFWGDLZ-IRXDYDNUSA-N 1 1 339.395 0.669 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2CCOC3)C1 ZINC001047453508 764395772 /nfs/dbraw/zinc/39/57/72/764395772.db2.gz JBQWQMHEECAHKG-ROUUACIJSA-N 1 1 328.412 0.900 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2CCOC3)C1 ZINC001047453508 764395774 /nfs/dbraw/zinc/39/57/74/764395774.db2.gz JBQWQMHEECAHKG-ROUUACIJSA-N 1 1 328.412 0.900 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015356640 764428029 /nfs/dbraw/zinc/42/80/29/764428029.db2.gz MHYUDZKLJCHOSI-ZACQAIPSSA-N 1 1 335.448 0.080 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001047471278 764437751 /nfs/dbraw/zinc/43/77/51/764437751.db2.gz IQTGIAMDUPRMPU-GJZGRUSLSA-N 1 1 328.372 0.430 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001047471278 764437758 /nfs/dbraw/zinc/43/77/58/764437758.db2.gz IQTGIAMDUPRMPU-GJZGRUSLSA-N 1 1 328.372 0.430 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001047473002 764442986 /nfs/dbraw/zinc/44/29/86/764442986.db2.gz JKFAFNPXYUGRRQ-SNPRPXQTSA-N 1 1 334.420 0.227 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001047473002 764442990 /nfs/dbraw/zinc/44/29/90/764442990.db2.gz JKFAFNPXYUGRRQ-SNPRPXQTSA-N 1 1 334.420 0.227 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cc(F)ccc3n2)C1 ZINC001047473453 764443952 /nfs/dbraw/zinc/44/39/52/764443952.db2.gz PYPZOUYGJHYUOD-HOTGVXAUSA-N 1 1 344.390 0.543 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cc(F)ccc3n2)C1 ZINC001047473453 764443955 /nfs/dbraw/zinc/44/39/55/764443955.db2.gz PYPZOUYGJHYUOD-HOTGVXAUSA-N 1 1 344.390 0.543 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3nccn3)CC2)C1=O ZINC001052418032 764449693 /nfs/dbraw/zinc/44/96/93/764449693.db2.gz HYGBKOPAXMINGS-CABCVRRESA-N 1 1 346.435 0.036 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC001052438817 764497465 /nfs/dbraw/zinc/49/74/65/764497465.db2.gz CAEPNLQHVDZAHS-HUUCEWRRSA-N 1 1 326.462 0.948 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001047498020 764512746 /nfs/dbraw/zinc/51/27/46/764512746.db2.gz AYPBSMIYAHTGIL-ILXRZTDVSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001047498020 764512753 /nfs/dbraw/zinc/51/27/53/764512753.db2.gz AYPBSMIYAHTGIL-ILXRZTDVSA-N 1 1 335.448 0.160 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001047501735 764528514 /nfs/dbraw/zinc/52/85/14/764528514.db2.gz STPCHDNKXHWZFY-JQFCIGGWSA-N 1 1 330.432 0.367 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001047501735 764528517 /nfs/dbraw/zinc/52/85/17/764528517.db2.gz STPCHDNKXHWZFY-JQFCIGGWSA-N 1 1 330.432 0.367 20 30 ECEDMO CN(C(=O)[C@@]1(F)CCOC1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047503129 764533213 /nfs/dbraw/zinc/53/32/13/764533213.db2.gz WAFRZIRVAWPHOA-XYJFISCASA-N 1 1 347.390 0.690 20 30 ECEDMO CN(C(=O)[C@@]1(F)CCOC1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047503129 764533217 /nfs/dbraw/zinc/53/32/17/764533217.db2.gz WAFRZIRVAWPHOA-XYJFISCASA-N 1 1 347.390 0.690 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001047528234 764602134 /nfs/dbraw/zinc/60/21/34/764602134.db2.gz OJJQJUQWGRMTCB-XIRDDKMYSA-N 1 1 332.448 0.834 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001047536063 764624287 /nfs/dbraw/zinc/62/42/87/764624287.db2.gz PBFCJPKMUOPDNC-HOTGVXAUSA-N 1 1 346.431 0.572 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nc2ncccn2n1 ZINC001089878615 764630204 /nfs/dbraw/zinc/63/02/04/764630204.db2.gz PPQVBMLIOYGQQG-YJNKXOJESA-N 1 1 336.399 0.540 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC001047545401 764652076 /nfs/dbraw/zinc/65/20/76/764652076.db2.gz OVDNXPCVFPVZAH-HOTGVXAUSA-N 1 1 342.399 0.269 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC001047545401 764652082 /nfs/dbraw/zinc/65/20/82/764652082.db2.gz OVDNXPCVFPVZAH-HOTGVXAUSA-N 1 1 342.399 0.269 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnccc1=O ZINC001089883536 764663145 /nfs/dbraw/zinc/66/31/45/764663145.db2.gz NONQFXDYBRMXJE-HZMVEIRTSA-N 1 1 342.443 0.988 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)nn1 ZINC001047554124 764679154 /nfs/dbraw/zinc/67/91/54/764679154.db2.gz KSTIUUDQTHYVFD-BPUTZDHNSA-N 1 1 349.435 0.150 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cn[nH]n3)CC2)C1=O ZINC001052521504 764681138 /nfs/dbraw/zinc/68/11/38/764681138.db2.gz YYMVZFCAXZCOKD-OCCSQVGLSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001052521504 764681146 /nfs/dbraw/zinc/68/11/46/764681146.db2.gz YYMVZFCAXZCOKD-OCCSQVGLSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001052521504 764681155 /nfs/dbraw/zinc/68/11/55/764681155.db2.gz YYMVZFCAXZCOKD-OCCSQVGLSA-N 1 1 332.408 0.176 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001047564544 764702970 /nfs/dbraw/zinc/70/29/70/764702970.db2.gz UUDDUJYXAUYYMU-IRXDYDNUSA-N 1 1 340.427 0.712 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001047564544 764702977 /nfs/dbraw/zinc/70/29/77/764702977.db2.gz UUDDUJYXAUYYMU-IRXDYDNUSA-N 1 1 340.427 0.712 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(CCC)n[nH]3)C2)C1=O ZINC001015471269 764713362 /nfs/dbraw/zinc/71/33/62/764713362.db2.gz MRIYNXYTCRWVKI-ZBFHGGJFSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(CCC)n[nH]3)C2)C1=O ZINC001015471269 764713372 /nfs/dbraw/zinc/71/33/72/764713372.db2.gz MRIYNXYTCRWVKI-ZBFHGGJFSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001077483194 764717890 /nfs/dbraw/zinc/71/78/90/764717890.db2.gz XIRKVERARRCPET-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088991408 764723516 /nfs/dbraw/zinc/72/35/16/764723516.db2.gz YLPXTAGGPNLVPZ-KCXAZCMYSA-N 1 1 326.400 0.916 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001052544790 764727211 /nfs/dbraw/zinc/72/72/11/764727211.db2.gz STFVWNHBQZPLGP-AWEZNQCLSA-N 1 1 332.404 0.107 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1OC ZINC001212194226 764760697 /nfs/dbraw/zinc/76/06/97/764760697.db2.gz PVBIHOBGKYAGLI-UNEWFSDZSA-N 1 1 337.420 0.934 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1OC ZINC001212194226 764760702 /nfs/dbraw/zinc/76/07/02/764760702.db2.gz PVBIHOBGKYAGLI-UNEWFSDZSA-N 1 1 337.420 0.934 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001047590743 764800262 /nfs/dbraw/zinc/80/02/62/764800262.db2.gz HZPHXBDZIMSJNS-HOTGVXAUSA-N 1 1 343.387 0.060 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)CC1 ZINC001052590021 764810272 /nfs/dbraw/zinc/81/02/72/764810272.db2.gz UEAFWJJWSDGHSF-HUUCEWRRSA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)CC1 ZINC001052590021 764810282 /nfs/dbraw/zinc/81/02/82/764810282.db2.gz UEAFWJJWSDGHSF-HUUCEWRRSA-N 1 1 326.462 0.948 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC001052595210 764820932 /nfs/dbraw/zinc/82/09/32/764820932.db2.gz RFBYEABXFYUXHJ-KBPBESRZSA-N 1 1 329.391 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC001052607852 764841734 /nfs/dbraw/zinc/84/17/34/764841734.db2.gz UVNRDZAGDKPWMD-CQSZACIVSA-N 1 1 327.388 0.100 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)nc1 ZINC001047601742 764844520 /nfs/dbraw/zinc/84/45/20/764844520.db2.gz JIWFPGQLBAAFJP-NJAFHUGGSA-N 1 1 343.427 0.607 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N(C)CCOCCNc1ccncc1C#N ZINC001127334500 768246536 /nfs/dbraw/zinc/24/65/36/768246536.db2.gz CKCYYEPLTAYRPB-UHFFFAOYSA-N 1 1 333.436 0.602 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001047613411 764880841 /nfs/dbraw/zinc/88/08/41/764880841.db2.gz FMSURRVFBRYMKJ-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)nc2C2CC2)C1 ZINC001047614696 764886738 /nfs/dbraw/zinc/88/67/38/764886738.db2.gz WQVUDSIYPFDPCK-HOTGVXAUSA-N 1 1 328.416 0.803 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)nc2C2CC2)C1 ZINC001047614696 764886747 /nfs/dbraw/zinc/88/67/47/764886747.db2.gz WQVUDSIYPFDPCK-HOTGVXAUSA-N 1 1 328.416 0.803 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001047619841 764901103 /nfs/dbraw/zinc/90/11/03/764901103.db2.gz YJXAGLYEBMIUBN-GJZGRUSLSA-N 1 1 332.400 0.763 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001047619841 764901116 /nfs/dbraw/zinc/90/11/16/764901116.db2.gz YJXAGLYEBMIUBN-GJZGRUSLSA-N 1 1 332.400 0.763 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccnc3c2nnn3C)CC1 ZINC001052662218 764955241 /nfs/dbraw/zinc/95/52/41/764955241.db2.gz GVNZWIOLAGVKRN-ZDUSSCGKSA-N 1 1 326.404 0.971 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3c2nnn3C)CC1 ZINC001052662213 764955530 /nfs/dbraw/zinc/95/55/30/764955530.db2.gz GVNZWIOLAGVKRN-CYBMUJFWSA-N 1 1 326.404 0.971 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](NC(C)=O)C(C)C)C2)nn1 ZINC001098775363 765023135 /nfs/dbraw/zinc/02/31/35/765023135.db2.gz YRSZLCJVEGIKQR-JKSUJKDBSA-N 1 1 348.451 0.488 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001099101964 765023289 /nfs/dbraw/zinc/02/32/89/765023289.db2.gz HMVLNBFAVRGQHK-CQSZACIVSA-N 1 1 343.493 0.556 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001052762098 765077014 /nfs/dbraw/zinc/07/70/14/765077014.db2.gz VCOOKPKKKMXMNV-ZDUSSCGKSA-N 1 1 334.420 0.244 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H](CC)C(N)=O)CC2)nn1 ZINC001052774701 765096984 /nfs/dbraw/zinc/09/69/84/765096984.db2.gz HGHGKKMGJWBYIY-GXTWGEPZSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cccn3)CC2)nn1 ZINC001052775431 765099435 /nfs/dbraw/zinc/09/94/35/765099435.db2.gz TUTVYTRMNBUKEV-OAHLLOKOSA-N 1 1 343.435 0.945 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)CC2)nn1 ZINC001052779137 765104913 /nfs/dbraw/zinc/10/49/13/765104913.db2.gz XJJJRMLXJAPUAP-QWHCGFSZSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn(C)n3)CC2)C1=O ZINC001052792120 765130409 /nfs/dbraw/zinc/13/04/09/765130409.db2.gz LHTXMMXIRNJKRG-HIFRSBDPSA-N 1 1 346.435 0.186 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001052812680 765166487 /nfs/dbraw/zinc/16/64/87/765166487.db2.gz ALPRPXWULZFDNQ-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC001052848977 765222599 /nfs/dbraw/zinc/22/25/99/765222599.db2.gz JIMPNYCJUYJBQT-LSDHHAIUSA-N 1 1 331.420 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)CC1 ZINC001052849795 765224424 /nfs/dbraw/zinc/22/44/24/765224424.db2.gz FKXHIWODVSFEPV-CQSZACIVSA-N 1 1 331.420 0.847 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)CC2)cn1 ZINC001052877444 765282767 /nfs/dbraw/zinc/28/27/67/765282767.db2.gz MOEORIROQGMITJ-INIZCTEOSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)CC2)cn1 ZINC001052877444 765282778 /nfs/dbraw/zinc/28/27/78/765282778.db2.gz MOEORIROQGMITJ-INIZCTEOSA-N 1 1 338.415 0.976 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001015776959 765298824 /nfs/dbraw/zinc/29/88/24/765298824.db2.gz HXAZTYMDKCDFFE-CABCVRRESA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001015776959 765298827 /nfs/dbraw/zinc/29/88/27/765298827.db2.gz HXAZTYMDKCDFFE-CABCVRRESA-N 1 1 331.420 0.169 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001015788267 765322928 /nfs/dbraw/zinc/32/29/28/765322928.db2.gz DSMUPOMNZKXUCJ-CYBMUJFWSA-N 1 1 330.392 0.048 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)cc1 ZINC001015808947 765366146 /nfs/dbraw/zinc/36/61/46/765366146.db2.gz HJDKZDRKZOEXMM-WBVHZDCISA-N 1 1 341.411 0.733 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)cc1 ZINC001015808947 765366150 /nfs/dbraw/zinc/36/61/50/765366150.db2.gz HJDKZDRKZOEXMM-WBVHZDCISA-N 1 1 341.411 0.733 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)C2)nn1 ZINC001015811009 765369839 /nfs/dbraw/zinc/36/98/39/765369839.db2.gz XPTYQEMMGSZGPK-AWEZNQCLSA-N 1 1 329.408 0.244 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001015824002 765387912 /nfs/dbraw/zinc/38/79/12/765387912.db2.gz GAEJMPIQVVRITN-YQQAZPJKSA-N 1 1 326.400 0.425 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001015824002 765387920 /nfs/dbraw/zinc/38/79/20/765387920.db2.gz GAEJMPIQVVRITN-YQQAZPJKSA-N 1 1 326.400 0.425 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015834887 765405585 /nfs/dbraw/zinc/40/55/85/765405585.db2.gz MPQXICVHRRTLCM-CVEARBPZSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001015834887 765405590 /nfs/dbraw/zinc/40/55/90/765405590.db2.gz MPQXICVHRRTLCM-CVEARBPZSA-N 1 1 326.400 0.917 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001052981083 765452931 /nfs/dbraw/zinc/45/29/31/765452931.db2.gz MOPLJEYWNARPKY-IAGOWNOFSA-N 1 1 349.475 0.579 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001052982827 765456542 /nfs/dbraw/zinc/45/65/42/765456542.db2.gz XQPNPGVXZLPMAJ-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CCCO)CC1 ZINC001052987196 765464160 /nfs/dbraw/zinc/46/41/60/765464160.db2.gz GVHHDSNQRZMJGB-BHYGNILZSA-N 1 1 334.464 0.668 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCO)CC1 ZINC001052987196 765464165 /nfs/dbraw/zinc/46/41/65/765464165.db2.gz GVHHDSNQRZMJGB-BHYGNILZSA-N 1 1 334.464 0.668 20 30 ECEDMO C[C@H](C(N)=O)N1CCC([N@@H+]2[C@@H]3CC[C@H]2CN(C(=O)[C@@H](C)C#N)C3)CC1 ZINC001052987592 765464295 /nfs/dbraw/zinc/46/42/95/765464295.db2.gz OZISAAHUFUYOJE-LQKXBSAESA-N 1 1 347.463 0.159 20 30 ECEDMO CN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC#N)CC1 ZINC001052988007 765465022 /nfs/dbraw/zinc/46/50/22/765465022.db2.gz UKRHAMWRYZZHHI-KSZLIROESA-N 1 1 345.491 0.744 20 30 ECEDMO CN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052988007 765465027 /nfs/dbraw/zinc/46/50/27/765465027.db2.gz UKRHAMWRYZZHHI-KSZLIROESA-N 1 1 345.491 0.744 20 30 ECEDMO Cn1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)n1 ZINC001052995387 765475144 /nfs/dbraw/zinc/47/51/44/765475144.db2.gz VCKLYHJSBKIDIF-IYBDPMFKSA-N 1 1 342.447 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001053008906 765481979 /nfs/dbraw/zinc/48/19/79/765481979.db2.gz UBLXNIRBXSCPOF-LSDHHAIUSA-N 1 1 326.462 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001053008906 765481983 /nfs/dbraw/zinc/48/19/83/765481983.db2.gz UBLXNIRBXSCPOF-LSDHHAIUSA-N 1 1 326.462 0.615 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+](CC(N)=O)C3)C2)c[nH]1 ZINC001053013493 765485921 /nfs/dbraw/zinc/48/59/21/765485921.db2.gz QZXIJBYTWLEOEL-ZIAGYGMSSA-N 1 1 343.431 0.936 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC001053028486 765500673 /nfs/dbraw/zinc/50/06/73/765500673.db2.gz VQGPSXQPBMIPIT-HZPDHXFCSA-N 1 1 330.436 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001053030207 765502671 /nfs/dbraw/zinc/50/26/71/765502671.db2.gz COQBUSPULMWMTL-CVEARBPZSA-N 1 1 345.447 0.166 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(CC)c3C)C2)C1=O ZINC001015894009 765506623 /nfs/dbraw/zinc/50/66/23/765506623.db2.gz VTFVMAOWMHBKOR-ZBFHGGJFSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(CC)c3C)C2)C1=O ZINC001015894009 765506634 /nfs/dbraw/zinc/50/66/34/765506634.db2.gz VTFVMAOWMHBKOR-ZBFHGGJFSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(C(C)C)nn3)C2)C1=O ZINC001015913313 765537296 /nfs/dbraw/zinc/53/72/96/765537296.db2.gz NDWISLBXXVAMBI-HIFRSBDPSA-N 1 1 346.435 0.450 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cn(C(C)C)nn3)C2)C1=O ZINC001015913313 765537298 /nfs/dbraw/zinc/53/72/98/765537298.db2.gz NDWISLBXXVAMBI-HIFRSBDPSA-N 1 1 346.435 0.450 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(CCC)nn3)C2)C1=O ZINC001015915429 765543188 /nfs/dbraw/zinc/54/31/88/765543188.db2.gz QXFFBUNDGUOBOR-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(CCC)nn3)C2)C1=O ZINC001015915429 765543190 /nfs/dbraw/zinc/54/31/90/765543190.db2.gz QXFFBUNDGUOBOR-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001053092527 765568707 /nfs/dbraw/zinc/56/87/07/765568707.db2.gz SCEROEMEJLYBKC-CVEARBPZSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001053102144 765579335 /nfs/dbraw/zinc/57/93/35/765579335.db2.gz REZDOEGEGFFBFM-LSDHHAIUSA-N 1 1 346.431 0.265 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001053115416 765601786 /nfs/dbraw/zinc/60/17/86/765601786.db2.gz PMBXNEFKKORKBW-HUUCEWRRSA-N 1 1 325.453 0.742 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)cc1F ZINC000992151992 765685825 /nfs/dbraw/zinc/68/58/25/765685825.db2.gz DPLGIIFNKXDUMO-YOEHRIQHSA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)cc1F ZINC000992151992 765685830 /nfs/dbraw/zinc/68/58/30/765685830.db2.gz DPLGIIFNKXDUMO-YOEHRIQHSA-N 1 1 330.363 0.796 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)cn1 ZINC001016030931 765733534 /nfs/dbraw/zinc/73/35/34/765733534.db2.gz MPZWOAODZZYKQN-PBHICJAKSA-N 1 1 340.427 0.783 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC000992185060 765812597 /nfs/dbraw/zinc/81/25/97/765812597.db2.gz YGHPDDMPGRZZAO-OLMMMNRUSA-N 1 1 347.459 0.923 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106108150 765839894 /nfs/dbraw/zinc/83/98/94/765839894.db2.gz GJYXZCACZPBZCE-DGCLKSJQSA-N 1 1 335.383 0.466 20 30 ECEDMO O=C(C#CC1CC1)N1CCOC2(C[NH+](C[C@H]3C[C@]34CCOC4)C2)C1 ZINC001053250734 765842156 /nfs/dbraw/zinc/84/21/56/765842156.db2.gz RRZMZJQUXOAUHL-AEFFLSMTSA-N 1 1 330.428 0.740 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CCO2 ZINC001053255490 765850730 /nfs/dbraw/zinc/85/07/30/765850730.db2.gz MOYATFWHIYNHTH-IAGOWNOFSA-N 1 1 331.460 0.797 20 30 ECEDMO C=CCCN1CC2(C1)CN(C(=O)[C@H](Cn1cccn1)[NH+](C)C)CCO2 ZINC001053284736 765903364 /nfs/dbraw/zinc/90/33/64/765903364.db2.gz HAZXRVSWHFSVEH-INIZCTEOSA-N 1 1 347.463 0.303 20 30 ECEDMO N#CCN1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CCO2 ZINC001053286557 765908436 /nfs/dbraw/zinc/90/84/36/765908436.db2.gz DALXGGGYODORII-MRXNPFEDSA-N 1 1 332.448 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2c[nH]nc2C)C1 ZINC000992209428 765910923 /nfs/dbraw/zinc/91/09/23/765910923.db2.gz XLSIEQQBJDQLRP-XUJLQICISA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2c[nH]nc2C)C1 ZINC000992209428 765910932 /nfs/dbraw/zinc/91/09/32/765910932.db2.gz XLSIEQQBJDQLRP-XUJLQICISA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(CC[C@H](C)F)C2)C1 ZINC001053291281 765920274 /nfs/dbraw/zinc/92/02/74/765920274.db2.gz HDQJTLVHHHPKAU-HOTGVXAUSA-N 1 1 337.439 0.745 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(CC[C@H](C)F)C2)C1 ZINC001053291281 765920280 /nfs/dbraw/zinc/92/02/80/765920280.db2.gz HDQJTLVHHHPKAU-HOTGVXAUSA-N 1 1 337.439 0.745 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN([C@H](C)COC)C2)C1 ZINC001053291192 765920488 /nfs/dbraw/zinc/92/04/88/765920488.db2.gz CLIQNBHWTABTGF-CVEARBPZSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN([C@H](C)COC)C2)C1 ZINC001053291192 765920493 /nfs/dbraw/zinc/92/04/93/765920493.db2.gz CLIQNBHWTABTGF-CVEARBPZSA-N 1 1 335.448 0.032 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H](OC)c1cnn(C)c1)CCO2 ZINC001053358102 766027446 /nfs/dbraw/zinc/02/74/46/766027446.db2.gz HFQYIUWKGYLMKK-INIZCTEOSA-N 1 1 348.447 0.987 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cncs2)C1 ZINC001016295729 766059824 /nfs/dbraw/zinc/05/98/24/766059824.db2.gz WDWPFFUQEVOYJX-RUXDESIVSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cncs2)C1 ZINC001016295729 766059831 /nfs/dbraw/zinc/05/98/31/766059831.db2.gz WDWPFFUQEVOYJX-RUXDESIVSA-N 1 1 346.456 0.960 20 30 ECEDMO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001106467505 768345303 /nfs/dbraw/zinc/34/53/03/768345303.db2.gz VFEQYZQTDNVHDO-QWHCGFSZSA-N 1 1 339.403 0.851 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC001016325565 766116527 /nfs/dbraw/zinc/11/65/27/766116527.db2.gz MTJNILCGJLXUCA-DQPZFDDXSA-N 1 1 340.427 0.876 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)C(=O)N(C)C3=O)CCC[C@H]12 ZINC000992273423 766124477 /nfs/dbraw/zinc/12/44/77/766124477.db2.gz QJYCXRVDQSSBRK-YVEFUNNKSA-N 1 1 348.403 0.096 20 30 ECEDMO CC(C)c1[nH+]ccn1CCC(=O)N1CCOC2(CN(CC#N)C2)C1 ZINC001053458222 766165892 /nfs/dbraw/zinc/16/58/92/766165892.db2.gz MHHAZYKJDHBPKY-UHFFFAOYSA-N 1 1 331.420 0.833 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)cc1 ZINC001016410147 766248775 /nfs/dbraw/zinc/24/87/75/766248775.db2.gz GRVLIXSVERVAGM-CVEARBPZSA-N 1 1 341.415 0.792 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001016419444 766264964 /nfs/dbraw/zinc/26/49/64/766264964.db2.gz LYKYEUISOPZYAE-XEBKBJJBSA-N 1 1 343.431 0.947 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001106126154 766270230 /nfs/dbraw/zinc/27/02/30/766270230.db2.gz HNVGEFHSTCXSGZ-CYBMUJFWSA-N 1 1 343.391 0.257 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016429743 766284150 /nfs/dbraw/zinc/28/41/50/766284150.db2.gz IYAPHQYHANXKIW-CABCVRRESA-N 1 1 340.383 0.302 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016429743 766284152 /nfs/dbraw/zinc/28/41/52/766284152.db2.gz IYAPHQYHANXKIW-CABCVRRESA-N 1 1 340.383 0.302 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)s1 ZINC001016432235 766290038 /nfs/dbraw/zinc/29/00/38/766290038.db2.gz UWEANVVRIPRFPT-QWRGUYRKSA-N 1 1 346.412 0.363 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)s1 ZINC001016432235 766290042 /nfs/dbraw/zinc/29/00/42/766290042.db2.gz UWEANVVRIPRFPT-QWRGUYRKSA-N 1 1 346.412 0.363 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)CCO2 ZINC001053543039 766309400 /nfs/dbraw/zinc/30/94/00/766309400.db2.gz UORPIQZCQIDCJT-KRWDZBQOSA-N 1 1 327.428 0.836 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992348892 766347319 /nfs/dbraw/zinc/34/73/19/766347319.db2.gz GDVOJNHVIAVHNS-SUMWQHHRSA-N 1 1 330.388 0.485 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001045772503 766350162 /nfs/dbraw/zinc/35/01/62/766350162.db2.gz HFKBRRZMBVUSJN-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001045785011 766368128 /nfs/dbraw/zinc/36/81/28/766368128.db2.gz JAQWCCODBHHVPA-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001045786112 766371110 /nfs/dbraw/zinc/37/11/10/766371110.db2.gz ZFRHKKRQKUDZRU-INIZCTEOSA-N 1 1 334.420 0.483 20 30 ECEDMO COC[C@H](C)[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)O2 ZINC001053593496 766390757 /nfs/dbraw/zinc/39/07/57/766390757.db2.gz MHLOFPWCSWLQCR-SWLSCSKDSA-N 1 1 332.404 0.884 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn3c1CCC3)O2 ZINC001053608642 766424279 /nfs/dbraw/zinc/42/42/79/766424279.db2.gz HIPIUSSSCPINKD-CQSZACIVSA-N 1 1 328.416 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CC#CC)C2)O1 ZINC001053610476 766429592 /nfs/dbraw/zinc/42/95/92/766429592.db2.gz QVIQPKSNFFGZKL-IRXDYDNUSA-N 1 1 329.444 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CC#CC)C2)O1 ZINC001053610476 766429598 /nfs/dbraw/zinc/42/95/98/766429598.db2.gz QVIQPKSNFFGZKL-IRXDYDNUSA-N 1 1 329.444 0.457 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cn4c(n3)CCC4)C2)C1=O ZINC001031681049 766448565 /nfs/dbraw/zinc/44/85/65/766448565.db2.gz YJHHSBNOTOCKRY-OAHLLOKOSA-N 1 1 343.431 0.278 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001016533267 766453988 /nfs/dbraw/zinc/45/39/88/766453988.db2.gz ZWWWAZABHKUZPX-UHFFFAOYSA-N 1 1 340.387 0.811 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)cn1 ZINC001045880147 766462638 /nfs/dbraw/zinc/46/26/38/766462638.db2.gz KGZSRDKELOWXEH-IXDOHACOSA-N 1 1 338.411 0.630 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@H]12 ZINC000992394869 766468812 /nfs/dbraw/zinc/46/88/12/766468812.db2.gz GWFSSOHFECCUMD-MGPLVRAMSA-N 1 1 334.376 0.809 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnc(OC)n1)O2 ZINC001053630834 766478197 /nfs/dbraw/zinc/47/81/97/766478197.db2.gz LTPLOPPJTIMUMG-CYBMUJFWSA-N 1 1 330.388 0.472 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@H]12 ZINC000992398392 766478810 /nfs/dbraw/zinc/47/88/10/766478810.db2.gz QRFKMQGIIAAKNW-APPDUMDISA-N 1 1 346.387 0.647 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CS(C)(=O)=O)C2 ZINC001045920803 766493782 /nfs/dbraw/zinc/49/37/82/766493782.db2.gz ZZGHWKZKKJPVTM-MRXNPFEDSA-N 1 1 326.462 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CS(C)(=O)=O)C2 ZINC001045920803 766493788 /nfs/dbraw/zinc/49/37/88/766493788.db2.gz ZZGHWKZKKJPVTM-MRXNPFEDSA-N 1 1 326.462 0.759 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)O2 ZINC001053639531 766496089 /nfs/dbraw/zinc/49/60/89/766496089.db2.gz SSEHOHFRAYHMDD-JHMPBIJASA-N 1 1 330.428 0.783 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001045947428 766518230 /nfs/dbraw/zinc/51/82/30/766518230.db2.gz FJPKKQMPOFLMSO-GOSISDBHSA-N 1 1 347.463 0.863 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001045949020 766520101 /nfs/dbraw/zinc/52/01/01/766520101.db2.gz WRXHMDKPYZPHHQ-SFHVURJKSA-N 1 1 347.463 0.863 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@]3(CCN(CC#N)C3)C2)O1 ZINC001045948115 766520125 /nfs/dbraw/zinc/52/01/25/766520125.db2.gz VTRWHXVSUCJNRK-NUJGCVRESA-N 1 1 334.464 0.934 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@]3(CCN(CC#N)C3)C2)O1 ZINC001045948115 766520128 /nfs/dbraw/zinc/52/01/28/766520128.db2.gz VTRWHXVSUCJNRK-NUJGCVRESA-N 1 1 334.464 0.934 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001045951041 766523457 /nfs/dbraw/zinc/52/34/57/766523457.db2.gz SAGGJLODISAURN-GOSISDBHSA-N 1 1 344.415 0.287 20 30 ECEDMO Cn1cc(C[NH+]2CCC3(C[C@@H]3NC(=O)c3ccc(C#N)[nH]3)CC2)nn1 ZINC001016576493 766525168 /nfs/dbraw/zinc/52/51/68/766525168.db2.gz PJNWDHSBHMAMMM-HNNXBMFYSA-N 1 1 339.403 0.799 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001045955950 766526020 /nfs/dbraw/zinc/52/60/20/766526020.db2.gz KHQVPDPDDFMLRY-IBGZPJMESA-N 1 1 346.475 0.146 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C(=O)NC)nc3)CCC[C@H]12 ZINC000992414462 766526030 /nfs/dbraw/zinc/52/60/30/766526030.db2.gz XFSCFQYMJQFCBH-YJBOKZPZSA-N 1 1 326.400 0.801 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001045966972 766538915 /nfs/dbraw/zinc/53/89/15/766538915.db2.gz KJHCEYSMUHYRKI-DAYGRLMNSA-N 1 1 333.432 0.357 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC(=O)N(CCC)C1)O2 ZINC001053671013 766551401 /nfs/dbraw/zinc/55/14/01/766551401.db2.gz ZNEQEHUCTKXJJP-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1nc(C)ccc1=O)C2 ZINC001045980158 766552277 /nfs/dbraw/zinc/55/22/77/766552277.db2.gz SDLCCNQWBAGEAR-IBGZPJMESA-N 1 1 342.443 0.890 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001045983755 766554542 /nfs/dbraw/zinc/55/45/42/766554542.db2.gz QUABZHRGYGACLL-SFHVURJKSA-N 1 1 346.431 0.990 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001099165054 766557745 /nfs/dbraw/zinc/55/77/45/766557745.db2.gz JPOGTGFEBIZLIY-LSDHHAIUSA-N 1 1 335.448 0.379 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC3(C[NH+](CCCO)C3)O2)nn1 ZINC001053677191 766560252 /nfs/dbraw/zinc/56/02/52/766560252.db2.gz SYFMFUCFGUWCRD-CQSZACIVSA-N 1 1 349.435 0.200 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cn([C@@H]4CCOC4)nn3)CCC[C@@H]12 ZINC000992437928 766571539 /nfs/dbraw/zinc/57/15/39/766571539.db2.gz YGWGGNWPISTDPA-QGPMSJSTSA-N 1 1 343.431 0.990 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCCN1C(N)=O)O2 ZINC001053687543 766591337 /nfs/dbraw/zinc/59/13/37/766591337.db2.gz TYBQZRTXPZYPKE-HUUCEWRRSA-N 1 1 348.447 0.293 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC001046007762 766621493 /nfs/dbraw/zinc/62/14/93/766621493.db2.gz KEPAFMOQAONYBX-HUUCEWRRSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC001046007762 766621496 /nfs/dbraw/zinc/62/14/96/766621496.db2.gz KEPAFMOQAONYBX-HUUCEWRRSA-N 1 1 327.856 0.994 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](CCc3cnn(C)c3)C2)CC1 ZINC001046012118 766638590 /nfs/dbraw/zinc/63/85/90/766638590.db2.gz LTXOBQDOCAZHDH-DOTOQJQBSA-N 1 1 344.463 0.341 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046021490 766666293 /nfs/dbraw/zinc/66/62/93/766666293.db2.gz IKSGECDAQUMCCP-HOCLYGCPSA-N 1 1 345.447 0.753 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 ZINC001046026078 766681381 /nfs/dbraw/zinc/68/13/81/766681381.db2.gz CDKAZXQWSMJQCD-SJORKVTESA-N 1 1 335.448 0.034 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001046026778 766684111 /nfs/dbraw/zinc/68/41/11/766684111.db2.gz HTWRYOFTHAQELS-CHWSQXEVSA-N 1 1 342.827 0.066 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001046026778 766684115 /nfs/dbraw/zinc/68/41/15/766684115.db2.gz HTWRYOFTHAQELS-CHWSQXEVSA-N 1 1 342.827 0.066 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)oc2C)C1 ZINC000994752580 766702702 /nfs/dbraw/zinc/70/27/02/766702702.db2.gz SRAQAXSRRWUTNO-INIZCTEOSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)oc2C)C1 ZINC000994752580 766702709 /nfs/dbraw/zinc/70/27/09/766702709.db2.gz SRAQAXSRRWUTNO-INIZCTEOSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000994752573 766703544 /nfs/dbraw/zinc/70/35/44/766703544.db2.gz SLXSGIRXMYHJKN-HOTGVXAUSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000994752573 766703546 /nfs/dbraw/zinc/70/35/46/766703546.db2.gz SLXSGIRXMYHJKN-HOTGVXAUSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C)nc2C)C1 ZINC000994755285 766715716 /nfs/dbraw/zinc/71/57/16/766715716.db2.gz QUJJUFWOSIATJY-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C)nc2C)C1 ZINC000994755285 766715723 /nfs/dbraw/zinc/71/57/23/766715723.db2.gz QUJJUFWOSIATJY-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH]cn3)CC2)C1 ZINC001046034721 766716130 /nfs/dbraw/zinc/71/61/30/766716130.db2.gz YLQIARBCZKTWAR-QGZVFWFLSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnc[nH]3)CC2)C1 ZINC001046034721 766716137 /nfs/dbraw/zinc/71/61/37/766716137.db2.gz YLQIARBCZKTWAR-QGZVFWFLSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnc[nH]3)CC2)C1 ZINC001046034721 766716148 /nfs/dbraw/zinc/71/61/48/766716148.db2.gz YLQIARBCZKTWAR-QGZVFWFLSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnn4ccncc34)CC2)C1 ZINC001046035232 766719593 /nfs/dbraw/zinc/71/95/93/766719593.db2.gz HMFUSXRTAJIFEH-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@@H]12 ZINC000992499667 766720340 /nfs/dbraw/zinc/72/03/40/766720340.db2.gz NQCFZVMUWVYNLT-OUCADQQQSA-N 1 1 347.868 0.544 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@@H]12 ZINC000992499667 766720345 /nfs/dbraw/zinc/72/03/45/766720345.db2.gz NQCFZVMUWVYNLT-OUCADQQQSA-N 1 1 347.868 0.544 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cncc(C(N)=O)c3)CCC[C@H]12 ZINC000992499619 766720580 /nfs/dbraw/zinc/72/05/80/766720580.db2.gz NMVHRGASEBVJSH-YJBOKZPZSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cscn2)C1 ZINC000994756399 766720581 /nfs/dbraw/zinc/72/05/81/766720581.db2.gz WZEZFDVKCSAAPP-AWEZNQCLSA-N 1 1 332.429 0.110 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cscn2)C1 ZINC000994756399 766720585 /nfs/dbraw/zinc/72/05/85/766720585.db2.gz WZEZFDVKCSAAPP-AWEZNQCLSA-N 1 1 332.429 0.110 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnn4c3CCC4)CC2)C1 ZINC001046035601 766722908 /nfs/dbraw/zinc/72/29/08/766722908.db2.gz QHSDIBWRHIAGQV-OAHLLOKOSA-N 1 1 329.448 0.847 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1 ZINC001046036562 766727334 /nfs/dbraw/zinc/72/73/34/766727334.db2.gz BOSLYZAKFXXZQI-AWEZNQCLSA-N 1 1 333.436 0.832 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)C1 ZINC001046036596 766727802 /nfs/dbraw/zinc/72/78/02/766727802.db2.gz CUWXDCRJAQLEKI-KRWDZBQOSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc4[nH]ccc4c3)CC2)C1 ZINC001046037220 766732390 /nfs/dbraw/zinc/73/23/90/766732390.db2.gz MNKAWVXHRAITAW-KRWDZBQOSA-N 1 1 337.427 0.980 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC001046039132 766740469 /nfs/dbraw/zinc/74/04/69/766740469.db2.gz SNBWJQYRFVPTLE-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC001046039970 766744879 /nfs/dbraw/zinc/74/48/79/766744879.db2.gz BWAGBQIZMOXUPI-KRWDZBQOSA-N 1 1 347.438 0.708 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046040478 766748106 /nfs/dbraw/zinc/74/81/06/766748106.db2.gz JSIJLVBGWNINQA-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4nccn4C3)CC2)C1 ZINC001046040758 766749144 /nfs/dbraw/zinc/74/91/44/766749144.db2.gz KPMXJSHOSUGCLL-IAGOWNOFSA-N 1 1 343.475 0.850 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3Cl)CC2)C1 ZINC001046041303 766751305 /nfs/dbraw/zinc/75/13/05/766751305.db2.gz QIDYIFZBZJGTNU-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3coc(OCC)n3)CC2)C1 ZINC001046041446 766752182 /nfs/dbraw/zinc/75/21/82/766752182.db2.gz JOWQVHWAORWRQE-OAHLLOKOSA-N 1 1 346.431 0.929 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2C)C1 ZINC001041999254 782577611 /nfs/dbraw/zinc/57/76/11/782577611.db2.gz VCWLZOXQNZSQHA-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2C)C1 ZINC001041999254 782577617 /nfs/dbraw/zinc/57/76/17/782577617.db2.gz VCWLZOXQNZSQHA-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]nc3CC)CC2)C1 ZINC001046042960 766758980 /nfs/dbraw/zinc/75/89/80/766758980.db2.gz QCUKFCWVSXSQPH-OAHLLOKOSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3CC)CC2)C1 ZINC001046043189 766761153 /nfs/dbraw/zinc/76/11/53/766761153.db2.gz XYAIFZYHERNUKX-INIZCTEOSA-N 1 1 343.475 0.838 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncc3C)CC2)C1 ZINC001046043892 766763832 /nfs/dbraw/zinc/76/38/32/766763832.db2.gz MIACCIDUECRUGR-QGZVFWFLSA-N 1 1 329.448 0.433 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3nc(C)cc3C)CC2)C1 ZINC001046044763 766769076 /nfs/dbraw/zinc/76/90/76/766769076.db2.gz QVQUCYZDDTXYTO-QGZVFWFLSA-N 1 1 331.464 0.904 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046053428 766797669 /nfs/dbraw/zinc/79/76/69/766797669.db2.gz BFCQFBLINCUVOP-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC001046059899 766824321 /nfs/dbraw/zinc/82/43/21/766824321.db2.gz RBWPUCWSDJKKFJ-OAHLLOKOSA-N 1 1 346.431 0.787 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nnn(CC)c3CC)CC2)C1 ZINC001046061332 766829155 /nfs/dbraw/zinc/82/91/55/766829155.db2.gz MFUIHXOAWYNALR-HNNXBMFYSA-N 1 1 344.463 0.326 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cn[nH]n3)CC2)C1 ZINC001046063264 766838208 /nfs/dbraw/zinc/83/82/08/766838208.db2.gz NNVMJULEWSPBAR-INIZCTEOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001046063264 766838218 /nfs/dbraw/zinc/83/82/18/766838218.db2.gz NNVMJULEWSPBAR-INIZCTEOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC001046063264 766838229 /nfs/dbraw/zinc/83/82/29/766838229.db2.gz NNVMJULEWSPBAR-INIZCTEOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001046063264 766838238 /nfs/dbraw/zinc/83/82/38/766838238.db2.gz NNVMJULEWSPBAR-INIZCTEOSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001046063264 766838245 /nfs/dbraw/zinc/83/82/45/766838245.db2.gz NNVMJULEWSPBAR-INIZCTEOSA-N 1 1 332.452 0.532 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)cc3OC)CC2)C1 ZINC001046065036 766846156 /nfs/dbraw/zinc/84/61/56/766846156.db2.gz ZPNWVZRCJQLZHB-AWEZNQCLSA-N 1 1 344.415 0.261 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000994801922 766846790 /nfs/dbraw/zinc/84/67/90/766846790.db2.gz LAWKDPKYPOEOCX-ZIAGYGMSSA-N 1 1 348.447 0.316 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046065283 766848933 /nfs/dbraw/zinc/84/89/33/766848933.db2.gz JVRZJOOKSIEROI-ZACQAIPSSA-N 1 1 337.464 0.178 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC001046068151 766860315 /nfs/dbraw/zinc/86/03/15/766860315.db2.gz FPGSHQPIZRCIFE-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CCC(C)CC3)CC2)C1 ZINC001046068821 766863814 /nfs/dbraw/zinc/86/38/14/766863814.db2.gz VCDWUPLRFKOLBZ-KRWDZBQOSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC001046072544 766880787 /nfs/dbraw/zinc/88/07/87/766880787.db2.gz HUXYFANGZDOSSG-MRXNPFEDSA-N 1 1 327.432 0.261 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001016767075 766882095 /nfs/dbraw/zinc/88/20/95/766882095.db2.gz WFHAKIYRHADEDC-GRTSSRMGSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(OC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC000994821598 766884851 /nfs/dbraw/zinc/88/48/51/766884851.db2.gz HTYXMURHDRDJNS-XJKSGUPXSA-N 1 1 348.447 0.459 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nnn(C(C)C)c3C)CC2)C1 ZINC001046074611 766892042 /nfs/dbraw/zinc/89/20/42/766892042.db2.gz CEPDPFWRUICCCV-INIZCTEOSA-N 1 1 344.463 0.633 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3coc(COC)n3)CC2)C1 ZINC001046075046 766892796 /nfs/dbraw/zinc/89/27/96/766892796.db2.gz NRICCNNLLFWHLV-AWEZNQCLSA-N 1 1 332.404 0.286 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CC)nn3)CC2)C1 ZINC001046074832 766893759 /nfs/dbraw/zinc/89/37/59/766893759.db2.gz IDCRGSCZZNQWQA-OAHLLOKOSA-N 1 1 332.452 0.706 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1nnn(C(C)(C)C)n1)CO2 ZINC001053807335 766899349 /nfs/dbraw/zinc/89/93/49/766899349.db2.gz HRUAGTGNTLSMDW-ZDUSSCGKSA-N 1 1 348.451 0.967 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]c(C)n2)nn1 ZINC001106135265 766901739 /nfs/dbraw/zinc/90/17/39/766901739.db2.gz PMFDREVKQMBSKE-ZDUSSCGKSA-N 1 1 345.407 0.464 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnn(CC)c3)CC2)C1 ZINC001046077122 766906395 /nfs/dbraw/zinc/90/63/95/766906395.db2.gz KGTGVBDXLOIIGY-KRWDZBQOSA-N 1 1 329.448 0.297 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC001046077124 766906908 /nfs/dbraw/zinc/90/69/08/766906908.db2.gz KIFYRNUXTWANHX-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)CC2)C1 ZINC001046077710 766909060 /nfs/dbraw/zinc/90/90/60/766909060.db2.gz XRIRLMHFORHIIK-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1OC ZINC001212268339 766909992 /nfs/dbraw/zinc/90/99/92/766909992.db2.gz XVXWSOVWYYPDPR-HZPDHXFCSA-N 1 1 328.453 0.947 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccnc3N(C)C)CC2)C1 ZINC001046084784 766926083 /nfs/dbraw/zinc/92/60/83/766926083.db2.gz UJAPRROSDAVODS-MRXNPFEDSA-N 1 1 341.459 0.613 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046085133 766926484 /nfs/dbraw/zinc/92/64/84/766926484.db2.gz MBYBCLKRYRFPEO-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046085755 766926797 /nfs/dbraw/zinc/92/67/97/766926797.db2.gz QVYGTBSXKBYOGY-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC001046087657 766930300 /nfs/dbraw/zinc/93/03/00/766930300.db2.gz VJSMDGCEVZGKTN-QZTJIDSGSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)C1 ZINC001046087940 766930673 /nfs/dbraw/zinc/93/06/73/766930673.db2.gz AUZBGSHPWRNIIQ-HOTGVXAUSA-N 1 1 349.479 0.324 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC34CCOCC4)CC2)C1 ZINC001046089822 766932160 /nfs/dbraw/zinc/93/21/60/766932160.db2.gz JKAOFVCJUCEFBI-SJORKVTESA-N 1 1 331.460 0.655 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncccc3OCC)CC2)C1 ZINC001046090304 766932319 /nfs/dbraw/zinc/93/23/19/766932319.db2.gz SGTFAHPTFFHNRN-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)C3=COCCO3)C2)C1=O ZINC001046113173 766940827 /nfs/dbraw/zinc/94/08/27/766940827.db2.gz DJGLAIIXNZBIOU-GUYCJALGSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)C3=COCCO3)C2)C1=O ZINC001046113173 766940834 /nfs/dbraw/zinc/94/08/34/766940834.db2.gz DJGLAIIXNZBIOU-GUYCJALGSA-N 1 1 335.404 0.242 20 30 ECEDMO C#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CO2 ZINC001053826628 766951467 /nfs/dbraw/zinc/95/14/67/766951467.db2.gz GKSBYZYKTNLRIX-DOTOQJQBSA-N 1 1 347.459 0.223 20 30 ECEDMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001077522925 766972635 /nfs/dbraw/zinc/97/26/35/766972635.db2.gz PEGALNPYXIPNKR-KKBVYLPWSA-N 1 1 329.400 0.906 20 30 ECEDMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001077522925 766972644 /nfs/dbraw/zinc/97/26/44/766972644.db2.gz PEGALNPYXIPNKR-KKBVYLPWSA-N 1 1 329.400 0.906 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001089704630 767102030 /nfs/dbraw/zinc/10/20/30/767102030.db2.gz WZJCNBOOBGQMIC-CYBMUJFWSA-N 1 1 348.447 0.490 20 30 ECEDMO CN(C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1)C1CC1 ZINC001046240553 767104339 /nfs/dbraw/zinc/10/43/39/767104339.db2.gz SKOYWQSBBRYWBL-QGZVFWFLSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1)C1CC1 ZINC001046240553 767104340 /nfs/dbraw/zinc/10/43/40/767104340.db2.gz SKOYWQSBBRYWBL-QGZVFWFLSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(=O)NC)nn1 ZINC001089707625 767105365 /nfs/dbraw/zinc/10/53/65/767105365.db2.gz ORQWUJPHTRUKHO-ZDUSSCGKSA-N 1 1 348.451 0.431 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(=O)NC)nn1 ZINC001089707625 767105366 /nfs/dbraw/zinc/10/53/66/767105366.db2.gz ORQWUJPHTRUKHO-ZDUSSCGKSA-N 1 1 348.451 0.431 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046247375 767106416 /nfs/dbraw/zinc/10/64/16/767106416.db2.gz DVCAOPWJWUVABN-ICSRJNTNSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046247375 767106420 /nfs/dbraw/zinc/10/64/20/767106420.db2.gz DVCAOPWJWUVABN-ICSRJNTNSA-N 1 1 341.455 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc(F)c[nH]2)C1 ZINC000938756469 767107316 /nfs/dbraw/zinc/10/73/16/767107316.db2.gz PRJMYSIAJFLPNU-HOCLYGCPSA-N 1 1 346.406 0.924 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc(F)c[nH]2)C1 ZINC000938756469 767107320 /nfs/dbraw/zinc/10/73/20/767107320.db2.gz PRJMYSIAJFLPNU-HOCLYGCPSA-N 1 1 346.406 0.924 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046252576 767110588 /nfs/dbraw/zinc/11/05/88/767110588.db2.gz CYNISUSRBRLIMG-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3nccc(C)n3)C2)C1=O ZINC001046280100 767123808 /nfs/dbraw/zinc/12/38/08/767123808.db2.gz HIZDTBOQNHUADS-KDOFPFPSSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3nccc(C)n3)C2)C1=O ZINC001046280100 767123811 /nfs/dbraw/zinc/12/38/11/767123811.db2.gz HIZDTBOQNHUADS-KDOFPFPSSA-N 1 1 343.431 0.766 20 30 ECEDMO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@H]1CCCNC1=O ZINC001031748927 767142085 /nfs/dbraw/zinc/14/20/85/767142085.db2.gz KUJNFFVVIMJOPS-KRWDZBQOSA-N 1 1 325.412 0.612 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001046329749 767152398 /nfs/dbraw/zinc/15/23/98/767152398.db2.gz VNWZCJKWYZZZKZ-VHDGCEQUSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ncccc3C#N)C2)C1 ZINC001046329749 767152401 /nfs/dbraw/zinc/15/24/01/767152401.db2.gz VNWZCJKWYZZZKZ-VHDGCEQUSA-N 1 1 329.404 0.591 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC001089782466 767168398 /nfs/dbraw/zinc/16/83/98/767168398.db2.gz XWFVSSBCEVLZNW-XQLPTFJDSA-N 1 1 326.462 0.776 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC)C[C@H]1OC ZINC001212295292 767180434 /nfs/dbraw/zinc/18/04/34/767180434.db2.gz GWBHCWIJVMEZSJ-LVQVYYBASA-N 1 1 326.437 0.820 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001042019458 782609618 /nfs/dbraw/zinc/60/96/18/782609618.db2.gz RAQOWTWQNQOHFK-MLGOLLRUSA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001042019458 782609624 /nfs/dbraw/zinc/60/96/24/782609624.db2.gz RAQOWTWQNQOHFK-MLGOLLRUSA-N 1 1 339.403 0.751 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001046392857 767191895 /nfs/dbraw/zinc/19/18/95/767191895.db2.gz LYPGLJOPRIQXPB-CFVMTHIKSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001046392857 767191899 /nfs/dbraw/zinc/19/18/99/767191899.db2.gz LYPGLJOPRIQXPB-CFVMTHIKSA-N 1 1 344.419 0.376 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CN=NC1=O ZINC001089794327 767216033 /nfs/dbraw/zinc/21/60/33/767216033.db2.gz DCDCARRHSXMDIZ-XQLPTFJDSA-N 1 1 331.420 0.729 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1 ZINC001089796385 767221288 /nfs/dbraw/zinc/22/12/88/767221288.db2.gz GZFFWHZPHFLBRJ-MLHJIOFPSA-N 1 1 331.460 0.511 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CN(C(C)=O)C2)C1 ZINC001089798062 767222458 /nfs/dbraw/zinc/22/24/58/767222458.db2.gz QULAFKHVXRTKEG-DKIMLUQUSA-N 1 1 329.444 0.657 20 30 ECEDMO Cn1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)n1 ZINC001089807253 767234468 /nfs/dbraw/zinc/23/44/68/767234468.db2.gz XRZFLOITTFBXOB-HPBDAGMYSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)n1 ZINC001089807253 767234469 /nfs/dbraw/zinc/23/44/69/767234469.db2.gz XRZFLOITTFBXOB-HPBDAGMYSA-N 1 1 339.443 0.897 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cnc3sccn3c2=O)C1 ZINC001046461080 767240647 /nfs/dbraw/zinc/24/06/47/767240647.db2.gz QXACHXFVAUTRNV-MRXNPFEDSA-N 1 1 330.413 0.974 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001046506050 767268363 /nfs/dbraw/zinc/26/83/63/767268363.db2.gz OAOMGRYYNGHIPL-YOEHRIQHSA-N 1 1 331.420 0.912 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046536947 767287815 /nfs/dbraw/zinc/28/78/15/767287815.db2.gz FDEASBBEUIGERD-CRAIPNDOSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001046542646 767293315 /nfs/dbraw/zinc/29/33/15/767293315.db2.gz KPXOBFDGLNFXRW-PXAZEXFGSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccoc1CC(N)=O)CO2 ZINC001053904689 767312922 /nfs/dbraw/zinc/31/29/22/767312922.db2.gz BDZNKGVUADHUGT-LBPRGKRZSA-N 1 1 333.388 0.457 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccncc2C#N)C1 ZINC001046576109 767321166 /nfs/dbraw/zinc/32/11/66/767321166.db2.gz IOWXDFJFHSBEHB-VDERGJSUSA-N 1 1 327.432 0.880 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046588416 767339295 /nfs/dbraw/zinc/33/92/95/767339295.db2.gz QJOBCSNPOVCPJG-WMLDXEAASA-N 1 1 345.378 0.459 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046588416 767339303 /nfs/dbraw/zinc/33/93/03/767339303.db2.gz QJOBCSNPOVCPJG-WMLDXEAASA-N 1 1 345.378 0.459 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001089823282 767339847 /nfs/dbraw/zinc/33/98/47/767339847.db2.gz FHCIIIDIFVUMNZ-TUUVXOQKSA-N 1 1 326.400 0.988 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046588889 767339859 /nfs/dbraw/zinc/33/98/59/767339859.db2.gz SKMZCDPUYIYRBI-YJBOKZPZSA-N 1 1 344.390 0.439 20 30 ECEDMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046588889 767339864 /nfs/dbraw/zinc/33/98/64/767339864.db2.gz SKMZCDPUYIYRBI-YJBOKZPZSA-N 1 1 344.390 0.439 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC001046605689 767356965 /nfs/dbraw/zinc/35/69/65/767356965.db2.gz WTLIBRLDODRILX-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924393 767372290 /nfs/dbraw/zinc/37/22/90/767372290.db2.gz RTBKKXUGRJOAQW-CVEARBPZSA-N 1 1 342.443 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(C(C)C)n1 ZINC001106154672 767388756 /nfs/dbraw/zinc/38/87/56/767388756.db2.gz MPRLWWGUZNECRW-GJZGRUSLSA-N 1 1 345.447 0.587 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(C(C)C)n1 ZINC001106154672 767388764 /nfs/dbraw/zinc/38/87/64/767388764.db2.gz MPRLWWGUZNECRW-GJZGRUSLSA-N 1 1 345.447 0.587 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncc(Cl)cn1 ZINC001106155446 767394081 /nfs/dbraw/zinc/39/40/81/767394081.db2.gz YWNPEVCJUJGYCY-STQMWFEESA-N 1 1 337.811 0.117 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncc(Cl)cn1 ZINC001106155446 767394089 /nfs/dbraw/zinc/39/40/89/767394089.db2.gz YWNPEVCJUJGYCY-STQMWFEESA-N 1 1 337.811 0.117 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC001089832046 767395352 /nfs/dbraw/zinc/39/53/52/767395352.db2.gz RFAUZDBCJBVZKQ-JJXSEGSLSA-N 1 1 330.432 0.204 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCCC2=CCN(c3nccnc3C#N)CC2)C1 ZINC001089832245 767395429 /nfs/dbraw/zinc/39/54/29/767395429.db2.gz PTPOXWLZVQNXCD-OAHLLOKOSA-N 1 1 340.431 0.943 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046628823 767396917 /nfs/dbraw/zinc/39/69/17/767396917.db2.gz RKXSPXNRBDTYJP-QWQRMKEZSA-N 1 1 344.390 0.899 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046628823 767396927 /nfs/dbraw/zinc/39/69/27/767396927.db2.gz RKXSPXNRBDTYJP-QWQRMKEZSA-N 1 1 344.390 0.899 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046629348 767397853 /nfs/dbraw/zinc/39/78/53/767397853.db2.gz XMIQTZPWCATURE-QWQRMKEZSA-N 1 1 344.390 0.899 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046629348 767397864 /nfs/dbraw/zinc/39/78/64/767397864.db2.gz XMIQTZPWCATURE-QWQRMKEZSA-N 1 1 344.390 0.899 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001106157881 767421693 /nfs/dbraw/zinc/42/16/93/767421693.db2.gz LGMMSGKNPPOZCZ-ZIAGYGMSSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)cn1C ZINC001089836274 767431960 /nfs/dbraw/zinc/43/19/60/767431960.db2.gz YTUSKHSOMCNPGA-UKMLZYKCSA-N 1 1 340.427 0.540 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3nncn3c1)CO2 ZINC001053955327 767444761 /nfs/dbraw/zinc/44/47/61/767444761.db2.gz IFLNBMCVSORGTK-AWEZNQCLSA-N 1 1 327.388 0.879 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046671291 767450263 /nfs/dbraw/zinc/45/02/63/767450263.db2.gz GIBPSEXRQHYJEK-HNNXBMFYSA-N 1 1 349.475 0.929 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001046672024 767452244 /nfs/dbraw/zinc/45/22/44/767452244.db2.gz PITHSOTVCFYACL-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001046676142 767458557 /nfs/dbraw/zinc/45/85/57/767458557.db2.gz CKQRKMNHAOLSKU-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001046684596 767477163 /nfs/dbraw/zinc/47/71/63/767477163.db2.gz JMNFZAHWGXPBDJ-CABCVRRESA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(=O)n(CCC)n1)CO2 ZINC001054006151 767575740 /nfs/dbraw/zinc/57/57/40/767575740.db2.gz UCJANSDWRPNYFS-AWEZNQCLSA-N 1 1 346.431 0.803 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001017105941 767593852 /nfs/dbraw/zinc/59/38/52/767593852.db2.gz DARVPSYVBYIIQZ-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CN(CC)CCO1)CO2 ZINC001054014678 767602131 /nfs/dbraw/zinc/60/21/31/767602131.db2.gz PRRRMGZQQWWMQI-HZPDHXFCSA-N 1 1 337.464 0.633 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COCCN1C ZINC001054037242 767636500 /nfs/dbraw/zinc/63/65/00/767636500.db2.gz BSSDNSGXRIALPP-MOPGFXCFSA-N 1 1 341.455 0.883 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054048766 767647611 /nfs/dbraw/zinc/64/76/11/767647611.db2.gz IHNAUVGALMEQMU-DLBZAZTESA-N 1 1 340.427 0.576 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054048766 767647615 /nfs/dbraw/zinc/64/76/15/767647615.db2.gz IHNAUVGALMEQMU-DLBZAZTESA-N 1 1 340.427 0.576 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001060476428 767687429 /nfs/dbraw/zinc/68/74/29/767687429.db2.gz MUBUPAYKVDDZGC-DOCVPZNWSA-N 1 1 326.404 0.097 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001060476493 767688936 /nfs/dbraw/zinc/68/89/36/767688936.db2.gz UKDFHHBXLRXFQP-MXOJCPGVSA-N 1 1 326.404 0.097 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]21 ZINC001060476469 767688947 /nfs/dbraw/zinc/68/89/47/767688947.db2.gz RMRMRDFNUJBNFX-HSMHQDCBSA-N 1 1 343.406 0.841 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001054116338 767702944 /nfs/dbraw/zinc/70/29/44/767702944.db2.gz QHWPTJQMKHRYCF-SJKOYZFVSA-N 1 1 329.404 0.688 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC000992889691 767753054 /nfs/dbraw/zinc/75/30/54/767753054.db2.gz JCPOPIBMMBOCNE-QFBILLFUSA-N 1 1 340.427 0.912 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001054160304 767756970 /nfs/dbraw/zinc/75/69/70/767756970.db2.gz BGTPNJFFFHBPKJ-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 ZINC001054160304 767756972 /nfs/dbraw/zinc/75/69/72/767756972.db2.gz BGTPNJFFFHBPKJ-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054187925 767787641 /nfs/dbraw/zinc/78/76/41/767787641.db2.gz BSNBGLBOTOAKDB-CYBMUJFWSA-N 1 1 330.226 0.695 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054187925 767787643 /nfs/dbraw/zinc/78/76/43/767787643.db2.gz BSNBGLBOTOAKDB-CYBMUJFWSA-N 1 1 330.226 0.695 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C(N)=O)C3)c1 ZINC001054189017 767790561 /nfs/dbraw/zinc/79/05/61/767790561.db2.gz YXKQTWTYGQIRJW-SFHVURJKSA-N 1 1 326.400 0.858 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)c1 ZINC001054194125 767793711 /nfs/dbraw/zinc/79/37/11/767793711.db2.gz KGJJBKBKPXQZHI-KUHUBIRLSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001054197033 767794775 /nfs/dbraw/zinc/79/47/75/767794775.db2.gz RQBQOCRAFSQGCR-HDMKZQKVSA-N 1 1 333.432 0.357 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(C)CCCS1(=O)=O)C2 ZINC001054213194 767811249 /nfs/dbraw/zinc/81/12/49/767811249.db2.gz VOOSQTBTUNZXRC-IAGOWNOFSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(C)CCCS1(=O)=O)C2 ZINC001054213194 767811255 /nfs/dbraw/zinc/81/12/55/767811255.db2.gz VOOSQTBTUNZXRC-IAGOWNOFSA-N 1 1 338.473 0.901 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC(=O)NC(=O)C1)C2 ZINC001054213715 767811295 /nfs/dbraw/zinc/81/12/95/767811295.db2.gz JDEIFGCLHVXTAW-GOSISDBHSA-N 1 1 333.432 0.930 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH]c(=O)c1=O)C2 ZINC001054215107 767814701 /nfs/dbraw/zinc/81/47/01/767814701.db2.gz MRPWBLOFQKYHBH-GOSISDBHSA-N 1 1 346.431 0.427 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2cn[nH]c2)CC1 ZINC001017307288 767824052 /nfs/dbraw/zinc/82/40/52/767824052.db2.gz FZSPWWUQHJPNSG-INIZCTEOSA-N 1 1 341.415 0.396 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)c2cn[nH]c2)CC1 ZINC001017307288 767824060 /nfs/dbraw/zinc/82/40/60/767824060.db2.gz FZSPWWUQHJPNSG-INIZCTEOSA-N 1 1 341.415 0.396 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)nc1 ZINC001054229120 767837405 /nfs/dbraw/zinc/83/74/05/767837405.db2.gz KOLQDFPEBXCQNJ-KUHUBIRLSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nc3nccc(C)n3n1)C2 ZINC001054235070 767844479 /nfs/dbraw/zinc/84/44/79/767844479.db2.gz PAXVFYSMVUFURK-GOSISDBHSA-N 1 1 338.415 0.994 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001054237483 767847643 /nfs/dbraw/zinc/84/76/43/767847643.db2.gz YFRBGAQYENQLDD-GOSISDBHSA-N 1 1 348.447 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CCN(C(N)=O)CC1)C2 ZINC001054238084 767848696 /nfs/dbraw/zinc/84/86/96/767848696.db2.gz LEPYNNIULJPDKV-SFHVURJKSA-N 1 1 332.448 0.725 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001017938318 768526823 /nfs/dbraw/zinc/52/68/23/768526823.db2.gz DBVDPNANMKFRPT-XUWVNRHRSA-N 1 1 335.448 0.874 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)C1 ZINC001055063707 768552226 /nfs/dbraw/zinc/55/22/26/768552226.db2.gz BUWIXKFOLFYXSP-FQLMCAECSA-N 1 1 340.431 0.916 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(C(N)=O)cn1 ZINC001017978508 768575214 /nfs/dbraw/zinc/57/52/14/768575214.db2.gz MGASXOONXMTNBO-OKILXGFUSA-N 1 1 326.400 0.801 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(C(N)=O)cn1 ZINC001017978508 768575218 /nfs/dbraw/zinc/57/52/18/768575218.db2.gz MGASXOONXMTNBO-OKILXGFUSA-N 1 1 326.400 0.801 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncn2nccc2c1=O ZINC001018028108 768632242 /nfs/dbraw/zinc/63/22/42/768632242.db2.gz NJDXTTOTWJJPGG-OKILXGFUSA-N 1 1 342.403 0.142 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2C1 ZINC001055182941 768638390 /nfs/dbraw/zinc/63/83/90/768638390.db2.gz POCILSWOFFMQMT-OKILXGFUSA-N 1 1 338.477 0.500 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2C1 ZINC001055182958 768639077 /nfs/dbraw/zinc/63/90/77/768639077.db2.gz QFYIOFNFYCHTCL-OKILXGFUSA-N 1 1 347.444 0.365 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001018050701 768661047 /nfs/dbraw/zinc/66/10/47/768661047.db2.gz AHMHBSUQXGVTBA-MJBXVCDLSA-N 1 1 327.450 0.272 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]2C1 ZINC001055249931 768708024 /nfs/dbraw/zinc/70/80/24/768708024.db2.gz GZYRKQFMHUXACJ-GASCZTMLSA-N 1 1 337.464 0.836 20 30 ECEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001055268817 768725075 /nfs/dbraw/zinc/72/50/75/768725075.db2.gz RYWLDYYYMJPICD-XHSDSOJGSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001055268817 768725079 /nfs/dbraw/zinc/72/50/79/768725079.db2.gz RYWLDYYYMJPICD-XHSDSOJGSA-N 1 1 349.475 0.836 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001055291023 768744591 /nfs/dbraw/zinc/74/45/91/768744591.db2.gz HANXVFQFWNFLCT-GASCZTMLSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001055312501 768767152 /nfs/dbraw/zinc/76/71/52/768767152.db2.gz IVRIEZQPKRTBEH-IYBDPMFKSA-N 1 1 328.416 0.912 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001018151189 768805499 /nfs/dbraw/zinc/80/54/99/768805499.db2.gz ZPDXLDZYNQKFDZ-GASCZTMLSA-N 1 1 345.447 0.632 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001055379875 768837303 /nfs/dbraw/zinc/83/73/03/768837303.db2.gz XFQCGHKOFRHFGZ-TWMKSMIVSA-N 1 1 349.475 0.979 20 30 ECEDMO N#Cc1cc(C(=O)NC2CC[NH+](CCNC(=O)C(F)F)CC2)c[nH]1 ZINC001055479964 768903571 /nfs/dbraw/zinc/90/35/71/768903571.db2.gz YZRNTMJXLXMUGR-UHFFFAOYSA-N 1 1 339.346 0.462 20 30 ECEDMO CCN(CCNc1ccc(C#N)nc1)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001106773308 768914145 /nfs/dbraw/zinc/91/41/45/768914145.db2.gz PINKWXFNMXFXAN-MRXNPFEDSA-N 1 1 331.420 0.934 20 30 ECEDMO CCN(CCNc1ccc(C#N)nc1)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001106773308 768914147 /nfs/dbraw/zinc/91/41/47/768914147.db2.gz PINKWXFNMXFXAN-MRXNPFEDSA-N 1 1 331.420 0.934 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)[C@@H]1C ZINC000993395308 768952045 /nfs/dbraw/zinc/95/20/45/768952045.db2.gz MJMDJYXPQIIXMS-BBRMVZONSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2ccco2)CC1 ZINC001055501945 768954867 /nfs/dbraw/zinc/95/48/67/768954867.db2.gz OXLYCUXPBWSPJD-CQSZACIVSA-N 1 1 347.415 0.628 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(c1cncc(C#N)n1)C2 ZINC001055509984 768975475 /nfs/dbraw/zinc/97/54/75/768975475.db2.gz QPQCHIXYBJQUBT-JOQOYGCGSA-N 1 1 340.431 0.918 20 30 ECEDMO C=CCOCC(=O)NC1CC[NH+](CCNC(=O)c2ccoc2)CC1 ZINC001055515535 768984857 /nfs/dbraw/zinc/98/48/57/768984857.db2.gz CVHPDNFWJDNNBF-UHFFFAOYSA-N 1 1 335.404 0.793 20 30 ECEDMO C#CCOCCC(=O)NC1CC[NH+](CCNC(=O)c2ccon2)CC1 ZINC001055531862 769027645 /nfs/dbraw/zinc/02/76/45/769027645.db2.gz RIAQDJJLMMGDIC-UHFFFAOYSA-N 1 1 348.403 0.025 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@H]1C ZINC000993425650 769048738 /nfs/dbraw/zinc/04/87/38/769048738.db2.gz DEBDFJPQNYXJKG-YPMHNXCESA-N 1 1 327.388 0.890 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CCNC(=O)CC3)C2)cn1 ZINC001031278215 769051205 /nfs/dbraw/zinc/05/12/05/769051205.db2.gz HUCTUQGBHWTCJK-CYBMUJFWSA-N 1 1 326.400 0.393 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cocn2)CC1 ZINC001055542619 769067398 /nfs/dbraw/zinc/06/73/98/769067398.db2.gz FPMWLTXEAYTEDK-CYBMUJFWSA-N 1 1 348.403 0.023 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CCC(Nc3ccncc3C#N)CC2)C1 ZINC001060583580 769068118 /nfs/dbraw/zinc/06/81/18/769068118.db2.gz HMIRANSDUQRPLT-DQPZFDDXSA-N 1 1 343.431 0.545 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CCC(Nc3ccncc3C#N)CC2)C1 ZINC001060583580 769068126 /nfs/dbraw/zinc/06/81/26/769068126.db2.gz HMIRANSDUQRPLT-DQPZFDDXSA-N 1 1 343.431 0.545 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccn[nH]3)CCCO2)C1=O ZINC001078344320 782718135 /nfs/dbraw/zinc/71/81/35/782718135.db2.gz MTXHFIAJCKFLAE-KGLIPLIRSA-N 1 1 347.419 0.017 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC(C)(C)C1 ZINC001089354851 769074795 /nfs/dbraw/zinc/07/47/95/769074795.db2.gz LRDYSSXEQHROHX-CYBMUJFWSA-N 1 1 331.420 0.853 20 30 ECEDMO Cc1nc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)co1 ZINC001055564936 769126502 /nfs/dbraw/zinc/12/65/02/769126502.db2.gz RNFKPDBZIJQSRE-NSHDSACASA-N 1 1 333.392 0.453 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2ccn(C)n2)CC1 ZINC001055577978 769171709 /nfs/dbraw/zinc/17/17/09/769171709.db2.gz GTUYECFLWKMIBC-UHFFFAOYSA-N 1 1 345.447 0.390 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3CCOC3)C2)CC1 ZINC001018357875 769182307 /nfs/dbraw/zinc/18/23/07/769182307.db2.gz IZVNJONXMCBIFW-SJORKVTESA-N 1 1 347.459 0.429 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)N3CCOCC3)C2)nn1 ZINC001098795681 769237602 /nfs/dbraw/zinc/23/76/02/769237602.db2.gz CTRARAWRXWKCCR-GOEBONIOSA-N 1 1 348.451 0.048 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cccnn2)CC1 ZINC001055623612 769284928 /nfs/dbraw/zinc/28/49/28/769284928.db2.gz KSYUDSFIJQLNSM-UHFFFAOYSA-N 1 1 343.431 0.591 20 30 ECEDMO C=CCCCC(=O)NCCN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055625787 769291564 /nfs/dbraw/zinc/29/15/64/769291564.db2.gz IVKZLFZEOVHRQT-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO CCc1ncoc1C(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055631868 769305005 /nfs/dbraw/zinc/30/50/05/769305005.db2.gz LYJARHYPHROOSS-LBPRGKRZSA-N 1 1 347.419 0.707 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@H]21 ZINC001042088734 782741939 /nfs/dbraw/zinc/74/19/39/782741939.db2.gz AGPAJTIBKYYQEM-TZMCWYRMSA-N 1 1 339.399 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H]1C ZINC000993619646 769371768 /nfs/dbraw/zinc/37/17/68/769371768.db2.gz GZTMLHVLMFDPOP-JSGCOSHPSA-N 1 1 325.376 0.273 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H]1C ZINC000993619646 769371776 /nfs/dbraw/zinc/37/17/76/769371776.db2.gz GZTMLHVLMFDPOP-JSGCOSHPSA-N 1 1 325.376 0.273 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H]1C ZINC000993589670 769379278 /nfs/dbraw/zinc/37/92/78/769379278.db2.gz LLMDDJVBRLPEIA-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000993683255 769474275 /nfs/dbraw/zinc/47/42/75/769474275.db2.gz ABVSGALXWCEKPI-IUODEOHRSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993683255 769474278 /nfs/dbraw/zinc/47/42/78/769474278.db2.gz ABVSGALXWCEKPI-IUODEOHRSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001078357787 782765858 /nfs/dbraw/zinc/76/58/58/782765858.db2.gz BRFZKRPYHAXAFE-AAEUAGOBSA-N 1 1 332.408 0.549 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H]1C ZINC000993861385 769709342 /nfs/dbraw/zinc/70/93/42/769709342.db2.gz XIGKYDDRLFXTAM-KBPBESRZSA-N 1 1 330.432 0.957 20 30 ECEDMO CC(C)Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078359845 782771994 /nfs/dbraw/zinc/77/19/94/782771994.db2.gz GDVAVPBFPRGJBO-HUUCEWRRSA-N 1 1 348.451 0.801 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000993870992 769821682 /nfs/dbraw/zinc/82/16/82/769821682.db2.gz URLLYEWLVHSCTK-PMPSAXMXSA-N 1 1 335.448 0.779 20 30 ECEDMO C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCOCC1)Nc1cncc(C#N)n1 ZINC001089356223 769843041 /nfs/dbraw/zinc/84/30/41/769843041.db2.gz VYFHLRAAESWMOU-KGLIPLIRSA-N 1 1 346.435 0.766 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC001055823433 769856874 /nfs/dbraw/zinc/85/68/74/769856874.db2.gz IVUJJBVCUHIISE-UHFFFAOYSA-N 1 1 339.403 0.764 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C ZINC000993909573 769865987 /nfs/dbraw/zinc/86/59/87/769865987.db2.gz WVJLBQXTYSNNAU-GXTWGEPZSA-N 1 1 334.420 0.243 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCn3cccn3)[C@H]2C)nn1 ZINC000993950221 769933130 /nfs/dbraw/zinc/93/31/30/769933130.db2.gz LQJHAFJDKIGSTR-GJZGRUSLSA-N 1 1 343.435 0.944 20 30 ECEDMO Cn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)nn1 ZINC001018805230 769967098 /nfs/dbraw/zinc/96/70/98/769967098.db2.gz ONFJQAYVZDMEPZ-AWEZNQCLSA-N 1 1 328.351 0.830 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H]1C ZINC000993990559 769972165 /nfs/dbraw/zinc/97/21/65/769972165.db2.gz RPBRZBGOUIBZGV-GJZGRUSLSA-N 1 1 346.435 0.171 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCO[C@H](C[NH2+]Cc3nncs3)C2)c1 ZINC001078369284 782794149 /nfs/dbraw/zinc/79/41/49/782794149.db2.gz JDRNUNOKYAWMDE-GFCCVEGCSA-N 1 1 346.416 0.759 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H]1C ZINC000994003409 769992306 /nfs/dbraw/zinc/99/23/06/769992306.db2.gz GOIIDLGFQUJAFX-ZFWWWQNUSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@@H]21 ZINC001042120736 782805547 /nfs/dbraw/zinc/80/55/47/782805547.db2.gz ZRIVIXZBQVYHQJ-YPMHNXCESA-N 1 1 337.401 0.097 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001018879652 770175192 /nfs/dbraw/zinc/17/51/92/770175192.db2.gz HPMSZSCAKDOTJK-HNNXBMFYSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001055910390 770178916 /nfs/dbraw/zinc/17/89/16/770178916.db2.gz NKWIKAGCCNRNTF-SFHVURJKSA-N 1 1 337.464 0.600 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCN(c3nccnc3C#N)CC2)C1 ZINC001055924460 770235422 /nfs/dbraw/zinc/23/54/22/770235422.db2.gz OVVAYBRMBKXJRR-OAHLLOKOSA-N 1 1 342.447 0.975 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@](CO)(NC(=O)C#CC(C)C)C1 ZINC001055930832 770261203 /nfs/dbraw/zinc/26/12/03/770261203.db2.gz ACAXXLCUUKEMSV-SFHVURJKSA-N 1 1 346.431 0.321 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001018912110 770261573 /nfs/dbraw/zinc/26/15/73/770261573.db2.gz JCSULYGCOYNHKW-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@@H]21 ZINC001042129950 782821249 /nfs/dbraw/zinc/82/12/49/782821249.db2.gz MVVGNQWRRNHHPF-WBVHZDCISA-N 1 1 343.427 0.664 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000994197577 770287515 /nfs/dbraw/zinc/28/75/15/770287515.db2.gz IRYBMHFRPUSSAI-UHFFFAOYSA-N 1 1 327.388 0.820 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)(NC(=O)C#CC3CC3)C2)CC[N@H+]1C ZINC001055941282 770302393 /nfs/dbraw/zinc/30/23/93/770302393.db2.gz TYVCIAXVMLDLEO-IDHHARJASA-N 1 1 347.459 0.210 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1)C1CCC1 ZINC001055941973 770303496 /nfs/dbraw/zinc/30/34/96/770303496.db2.gz YDSGHESHPPPGQE-LJQANCHMSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@@H]21 ZINC001042132601 782826842 /nfs/dbraw/zinc/82/68/42/782826842.db2.gz DYOXEVOXUJYFAY-WFASDCNBSA-N 1 1 340.383 0.582 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@@H]21 ZINC001042133828 782828268 /nfs/dbraw/zinc/82/82/68/782828268.db2.gz LWHNCRMBHFLNBM-NEPJUHHUSA-N 1 1 339.417 0.649 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055954483 770353391 /nfs/dbraw/zinc/35/33/91/770353391.db2.gz TZLCKNWBZCZMIX-MAUKXSAKSA-N 1 1 335.448 0.211 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)[C@@H]2C)nc1 ZINC000994234612 770364531 /nfs/dbraw/zinc/36/45/31/770364531.db2.gz CROBHKWMFMOROB-GDBMZVCRSA-N 1 1 338.415 0.937 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001018959148 770393530 /nfs/dbraw/zinc/39/35/30/770393530.db2.gz MJXFRPRRDFDIFL-LRDDRELGSA-N 1 1 344.390 0.914 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001055980795 770433170 /nfs/dbraw/zinc/43/31/70/770433170.db2.gz QTNLLTSSTVZIKF-GOSISDBHSA-N 1 1 335.448 0.210 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCC#N)C2)C1 ZINC001099296238 770465533 /nfs/dbraw/zinc/46/55/33/770465533.db2.gz NZOLRCQSXFQMGK-UPJWGTAASA-N 1 1 348.369 0.598 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCC#N)C2)C1 ZINC001099296238 770465539 /nfs/dbraw/zinc/46/55/39/770465539.db2.gz NZOLRCQSXFQMGK-UPJWGTAASA-N 1 1 348.369 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nc(CC)no2)C1 ZINC001018985793 770483897 /nfs/dbraw/zinc/48/38/97/770483897.db2.gz GDPQNBNHQMTRDR-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nc(CC)no2)C1 ZINC001018985793 770483902 /nfs/dbraw/zinc/48/39/02/770483902.db2.gz GDPQNBNHQMTRDR-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1)C1CCC1 ZINC001019011528 770564297 /nfs/dbraw/zinc/56/42/97/770564297.db2.gz NTXLCPSNTQCHBM-UHFFFAOYSA-N 1 1 329.444 0.945 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC(C)C)C1 ZINC001056032812 770621535 /nfs/dbraw/zinc/62/15/35/770621535.db2.gz SBRQCLGPJDENOB-SFHVURJKSA-N 1 1 337.464 0.457 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC(C)C)C1 ZINC001056032811 770621567 /nfs/dbraw/zinc/62/15/67/770621567.db2.gz SBRQCLGPJDENOB-GOSISDBHSA-N 1 1 337.464 0.457 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001056032867 770623178 /nfs/dbraw/zinc/62/31/78/770623178.db2.gz UCXBASCDEJBLGO-OALUTQOASA-N 1 1 349.475 0.908 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC000994339272 770630046 /nfs/dbraw/zinc/63/00/46/770630046.db2.gz RAJLGRDRCZVPHC-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000994362201 770651608 /nfs/dbraw/zinc/65/16/08/770651608.db2.gz GTDJBTSUSBYHGR-BONHGPHZSA-N 1 1 341.455 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000994362201 770651612 /nfs/dbraw/zinc/65/16/12/770651612.db2.gz GTDJBTSUSBYHGR-BONHGPHZSA-N 1 1 341.455 0.703 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001056060945 770710435 /nfs/dbraw/zinc/71/04/35/770710435.db2.gz VZLLLVKDHXMCNR-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001056127704 770890301 /nfs/dbraw/zinc/89/03/01/770890301.db2.gz GVUBNWREPYDOHM-LPHOPBHVSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@@H]21 ZINC001042163357 782877385 /nfs/dbraw/zinc/87/73/85/782877385.db2.gz SHFPOHVRFYNCRM-CABCVRRESA-N 1 1 333.436 0.471 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001060693843 770975959 /nfs/dbraw/zinc/97/59/59/770975959.db2.gz QDEWOLQFPBGFGV-QBPKDAKJSA-N 1 1 349.475 0.910 20 30 ECEDMO COc1ccc(C#N)cc1CN1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031383848 770988128 /nfs/dbraw/zinc/98/81/28/770988128.db2.gz OTBWNLNYEPBBBH-AWEZNQCLSA-N 1 1 328.416 0.819 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1 ZINC001056254748 771047238 /nfs/dbraw/zinc/04/72/38/771047238.db2.gz RXXUBZNREICBOP-CVGURMSBSA-N 1 1 326.404 0.241 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001019255865 771067958 /nfs/dbraw/zinc/06/79/58/771067958.db2.gz UVKOBIOMCRILEV-UHFFFAOYSA-N 1 1 349.475 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC001019259035 771070152 /nfs/dbraw/zinc/07/01/52/771070152.db2.gz FUVONZNSGQDFRI-OAGGEKHMSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC001019259035 771070157 /nfs/dbraw/zinc/07/01/57/771070157.db2.gz FUVONZNSGQDFRI-OAGGEKHMSA-N 1 1 329.444 0.801 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001019308579 771134785 /nfs/dbraw/zinc/13/47/85/771134785.db2.gz ABDDKLPZBITMEY-UONOGXRCSA-N 1 1 331.351 0.069 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@H]21 ZINC001042179510 782899162 /nfs/dbraw/zinc/89/91/62/782899162.db2.gz NHLXHMIXVWUCSO-HZPDHXFCSA-N 1 1 342.443 0.957 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]c(C)n4)C[C@H]32)nn1 ZINC001056434607 771261596 /nfs/dbraw/zinc/26/15/96/771261596.db2.gz HCYNECKTHTYUPN-VIKVFOODSA-N 1 1 339.403 0.736 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)C3)C1 ZINC001019441224 771288328 /nfs/dbraw/zinc/28/83/28/771288328.db2.gz GSAJUJWNJTZOTQ-OAHLLOKOSA-N 1 1 329.444 0.803 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001056487476 771326070 /nfs/dbraw/zinc/32/60/70/771326070.db2.gz AKILFRWZZMJBAY-IXDOHACOSA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001089496706 771345672 /nfs/dbraw/zinc/34/56/72/771345672.db2.gz SUEPUXNWIHZCQZ-QWHCGFSZSA-N 1 1 330.436 0.950 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC(C)(C)C1 ZINC001089520056 771393555 /nfs/dbraw/zinc/39/35/55/771393555.db2.gz RGNXEZMJUDOKCF-CQSZACIVSA-N 1 1 333.432 0.669 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC(C)(C)C1 ZINC001089540518 771423611 /nfs/dbraw/zinc/42/36/11/771423611.db2.gz CITBFJRHONWZQR-LBPRGKRZSA-N 1 1 342.403 0.271 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001056630454 771448832 /nfs/dbraw/zinc/44/88/32/771448832.db2.gz FNCCJISTJNIARY-JKSUJKDBSA-N 1 1 346.431 0.844 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001060735498 771455081 /nfs/dbraw/zinc/45/50/81/771455081.db2.gz YJFSZCMDOIHPSD-WCXIOVBPSA-N 1 1 349.475 0.768 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001056648248 771467240 /nfs/dbraw/zinc/46/72/40/771467240.db2.gz MWCXMNPKMYTVEK-HIFRSBDPSA-N 1 1 344.419 0.390 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001056648248 771467243 /nfs/dbraw/zinc/46/72/43/771467243.db2.gz MWCXMNPKMYTVEK-HIFRSBDPSA-N 1 1 344.419 0.390 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC(C)(C)C1 ZINC001089553687 771469193 /nfs/dbraw/zinc/46/91/93/771469193.db2.gz YSNGYNVEJGIJHJ-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001056666202 771488792 /nfs/dbraw/zinc/48/87/92/771488792.db2.gz HKUHWHDMPSSVOH-YESZJQIVSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001056667911 771492407 /nfs/dbraw/zinc/49/24/07/771492407.db2.gz WTKNGGUYLIEIKX-YESZJQIVSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001056681740 771509112 /nfs/dbraw/zinc/50/91/12/771509112.db2.gz RZNPITGJGRYDJE-GVDBMIGSSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC(C)(C)C1 ZINC001089564906 771516584 /nfs/dbraw/zinc/51/65/84/771516584.db2.gz KTEVGQVDGRLKGC-LBPRGKRZSA-N 1 1 334.424 0.170 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCCO2)CC[N@H+]1C ZINC001019599041 771567883 /nfs/dbraw/zinc/56/78/83/771567883.db2.gz LWDPJFDBPALQTR-HYVNUMGLSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc(C)nc(CO)n2)C1 ZINC001056811086 771674042 /nfs/dbraw/zinc/67/40/42/771674042.db2.gz HGTULDPEIQAPBF-CABCVRRESA-N 1 1 343.431 0.388 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc(C)nc(CO)n2)C1 ZINC001056811086 771674044 /nfs/dbraw/zinc/67/40/44/771674044.db2.gz HGTULDPEIQAPBF-CABCVRRESA-N 1 1 343.431 0.388 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 ZINC001056927066 771816389 /nfs/dbraw/zinc/81/63/89/771816389.db2.gz WDPBBQVXJNFKSR-CQSZACIVSA-N 1 1 325.376 0.591 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056939780 771835901 /nfs/dbraw/zinc/83/59/01/771835901.db2.gz CZXQTGKNVZYWLM-CQSZACIVSA-N 1 1 344.419 0.108 20 30 ECEDMO CN(c1ccc(C#N)nc1)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001056940443 771837104 /nfs/dbraw/zinc/83/71/04/771837104.db2.gz QLQFHAOQKVJMJN-KRWDZBQOSA-N 1 1 343.431 0.713 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@H]21 ZINC001042234527 782964316 /nfs/dbraw/zinc/96/43/16/782964316.db2.gz MVDCTRYIZCJZMT-GOEBONIOSA-N 1 1 342.443 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cccn2)[C@H]1C ZINC001020059744 772115309 /nfs/dbraw/zinc/11/53/09/772115309.db2.gz TYJCVCKFFFDBDK-JYJNAYRXSA-N 1 1 343.431 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cccn2)[C@H]1C ZINC001020059744 772115312 /nfs/dbraw/zinc/11/53/12/772115312.db2.gz TYJCVCKFFFDBDK-JYJNAYRXSA-N 1 1 343.431 0.086 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057146551 772164638 /nfs/dbraw/zinc/16/46/38/772164638.db2.gz AHUFUBPLQWGJQP-HNNXBMFYSA-N 1 1 344.419 0.108 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057146551 772164641 /nfs/dbraw/zinc/16/46/41/772164641.db2.gz AHUFUBPLQWGJQP-HNNXBMFYSA-N 1 1 344.419 0.108 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057172933 772213916 /nfs/dbraw/zinc/21/39/16/772213916.db2.gz YTJBLOZZBZHJOY-CVEARBPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057174944 772216489 /nfs/dbraw/zinc/21/64/89/772216489.db2.gz ODWDONXZKFLPEM-HZPDHXFCSA-N 1 1 337.464 0.907 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057234687 772319222 /nfs/dbraw/zinc/31/92/22/772319222.db2.gz LPTQGENXADOPRF-CQSZACIVSA-N 1 1 328.420 0.729 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC2(F)F)[C@H]1C ZINC001020240354 772336265 /nfs/dbraw/zinc/33/62/65/772336265.db2.gz LJEMXBXIKBXNSN-XUXIUFHCSA-N 1 1 339.386 0.845 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC2(F)F)[C@H]1C ZINC001020240354 772336272 /nfs/dbraw/zinc/33/62/72/772336272.db2.gz LJEMXBXIKBXNSN-XUXIUFHCSA-N 1 1 339.386 0.845 20 30 ECEDMO C[N@@H+](CC(=O)N1CCCN(c2ccnc(C#N)n2)CC1)C1CCC1 ZINC001057252646 772347608 /nfs/dbraw/zinc/34/76/08/772347608.db2.gz FRLPYXRFWPKHLM-UHFFFAOYSA-N 1 1 328.420 0.871 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1=O ZINC001020256994 772361159 /nfs/dbraw/zinc/36/11/59/772361159.db2.gz OCIDPKVJHKVGBS-KJWHEZOQSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001020271321 772379784 /nfs/dbraw/zinc/37/97/84/772379784.db2.gz NEZVCMBULQGECV-QAETUUGQSA-N 1 1 346.475 0.141 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@H]21 ZINC001042267248 783010251 /nfs/dbraw/zinc/01/02/51/783010251.db2.gz WMZJVFDTLVPXGV-UKRRQHHQSA-N 1 1 339.399 0.995 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)c1cc(C#N)c[nH]1 ZINC001078471655 783014789 /nfs/dbraw/zinc/01/47/89/783014789.db2.gz ZKSHVBQMGXEMMR-STQMWFEESA-N 1 1 331.420 0.853 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001078473579 783021195 /nfs/dbraw/zinc/02/11/95/783021195.db2.gz DRYQHLNYJNBRPF-ZNMIVQPWSA-N 1 1 336.392 0.368 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 ZINC001057426595 772601263 /nfs/dbraw/zinc/60/12/63/772601263.db2.gz ACAPBJHXMBHNFJ-DOMZBBRYSA-N 1 1 328.420 0.949 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 ZINC001057537711 772733224 /nfs/dbraw/zinc/73/32/24/772733224.db2.gz KZSHTKSXEJXAIV-QGZVFWFLSA-N 1 1 349.475 0.459 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001057603000 772802057 /nfs/dbraw/zinc/80/20/57/772802057.db2.gz ZVITWUSFHYBDPQ-HOTGVXAUSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001057603000 772802062 /nfs/dbraw/zinc/80/20/62/772802062.db2.gz ZVITWUSFHYBDPQ-HOTGVXAUSA-N 1 1 329.404 0.687 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC12CCC2 ZINC001057608334 772808278 /nfs/dbraw/zinc/80/82/78/772808278.db2.gz COGMHHMNTIHFFU-HOTGVXAUSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC12CCC2 ZINC001057608334 772808281 /nfs/dbraw/zinc/80/82/81/772808281.db2.gz COGMHHMNTIHFFU-HOTGVXAUSA-N 1 1 347.459 0.211 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C(C)C ZINC001057619036 772822481 /nfs/dbraw/zinc/82/24/81/772822481.db2.gz CPOFQSSCHGPQMS-UHFFFAOYSA-N 1 1 336.436 0.910 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057636687 772844704 /nfs/dbraw/zinc/84/47/04/772844704.db2.gz WZNMSDSJORQBJW-CABCVRRESA-N 1 1 325.453 0.478 20 30 ECEDMO C=CCC1(C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2C)CCC1 ZINC001057642709 772853857 /nfs/dbraw/zinc/85/38/57/772853857.db2.gz UHPMKUGXWWIQFK-UHFFFAOYSA-N 1 1 348.447 0.875 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001057643611 772855358 /nfs/dbraw/zinc/85/53/58/772855358.db2.gz DVCCYZZYPROMRL-OAHLLOKOSA-N 1 1 336.436 0.731 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001057697100 772921884 /nfs/dbraw/zinc/92/18/84/772921884.db2.gz KLDXAKOETAUAQV-UHFFFAOYSA-N 1 1 327.469 0.866 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001057719429 772943340 /nfs/dbraw/zinc/94/33/40/772943340.db2.gz KWFZGTVFZFKGQQ-CYBMUJFWSA-N 1 1 325.376 0.956 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2cnc(C#N)cn2)C1 ZINC001057773134 772974238 /nfs/dbraw/zinc/97/42/38/772974238.db2.gz CNTIXUWZUQIWKA-HOCLYGCPSA-N 1 1 338.415 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2cnc(C#N)cn2)C1 ZINC001057773134 772974240 /nfs/dbraw/zinc/97/42/40/772974240.db2.gz CNTIXUWZUQIWKA-HOCLYGCPSA-N 1 1 338.415 0.849 20 30 ECEDMO Cc1cc(N2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001057845408 773063396 /nfs/dbraw/zinc/06/33/96/773063396.db2.gz CUANCFLUHIYUOW-KRWDZBQOSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1cc(N2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001057845408 773063398 /nfs/dbraw/zinc/06/33/98/773063398.db2.gz CUANCFLUHIYUOW-KRWDZBQOSA-N 1 1 343.431 0.677 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001057961065 773290761 /nfs/dbraw/zinc/29/07/61/773290761.db2.gz HRZUBFRXAGNEGO-VVLHAWIVSA-N 1 1 347.459 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001057961065 773290763 /nfs/dbraw/zinc/29/07/63/773290763.db2.gz HRZUBFRXAGNEGO-VVLHAWIVSA-N 1 1 347.459 0.067 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(C)co1 ZINC001057962109 773293541 /nfs/dbraw/zinc/29/35/41/773293541.db2.gz HWDHRLZFFLJICK-HNNXBMFYSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(C)co1 ZINC001057962109 773293545 /nfs/dbraw/zinc/29/35/45/773293545.db2.gz HWDHRLZFFLJICK-HNNXBMFYSA-N 1 1 347.415 0.236 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(c3ccc(C#N)nn3)CC2)O1 ZINC001057969069 773307380 /nfs/dbraw/zinc/30/73/80/773307380.db2.gz AEBWZRCEUQDNAC-IUODEOHRSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(c3ccc(C#N)nn3)CC2)O1 ZINC001057969069 773307388 /nfs/dbraw/zinc/30/73/88/773307388.db2.gz AEBWZRCEUQDNAC-IUODEOHRSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001057984041 773338350 /nfs/dbraw/zinc/33/83/50/773338350.db2.gz HVBVEKONGKRSSB-HNNXBMFYSA-N 1 1 346.431 0.215 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001057984041 773338356 /nfs/dbraw/zinc/33/83/56/773338356.db2.gz HVBVEKONGKRSSB-HNNXBMFYSA-N 1 1 346.431 0.215 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001040606646 783091712 /nfs/dbraw/zinc/09/17/12/783091712.db2.gz NGQOZHKAFGNHEY-GOSISDBHSA-N 1 1 337.464 0.601 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001058038662 773402541 /nfs/dbraw/zinc/40/25/41/773402541.db2.gz CGEYEHVKPKKLHP-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001040612875 783100662 /nfs/dbraw/zinc/10/06/62/783100662.db2.gz GORIMRSPKAONBT-MAUKXSAKSA-N 1 1 335.448 0.211 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058176844 773707520 /nfs/dbraw/zinc/70/75/20/773707520.db2.gz IPFWXVHXZIOIEE-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058241668 773829951 /nfs/dbraw/zinc/82/99/51/773829951.db2.gz WSKOEGGXIFEIEM-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058256999 773857596 /nfs/dbraw/zinc/85/75/96/773857596.db2.gz KZMPPVMOYHGZRV-OAHLLOKOSA-N 1 1 327.469 0.868 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2nccc(OC)n2)C1 ZINC001058264222 773875449 /nfs/dbraw/zinc/87/54/49/773875449.db2.gz QJFHWOVCHJUTSK-GJZGRUSLSA-N 1 1 343.431 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2nccc(OC)n2)C1 ZINC001058264222 773875454 /nfs/dbraw/zinc/87/54/54/773875454.db2.gz QJFHWOVCHJUTSK-GJZGRUSLSA-N 1 1 343.431 0.668 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001058304114 773939054 /nfs/dbraw/zinc/93/90/54/773939054.db2.gz UUYNYJSTYIEPJH-UHFFFAOYSA-N 1 1 327.469 0.866 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058373505 774056008 /nfs/dbraw/zinc/05/60/08/774056008.db2.gz KADLDYJUDVKVCY-STQMWFEESA-N 1 1 328.420 0.557 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040636293 783147823 /nfs/dbraw/zinc/14/78/23/783147823.db2.gz QIBADPRJYFFWOC-KDOFPFPSSA-N 1 1 348.447 0.873 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1 ZINC001040636973 783149776 /nfs/dbraw/zinc/14/97/76/783149776.db2.gz RBOLGPCLIDRDOL-GZBFAFLISA-N 1 1 326.404 0.337 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058442627 774189374 /nfs/dbraw/zinc/18/93/74/774189374.db2.gz LDUYCRDRVVKKHW-INIZCTEOSA-N 1 1 337.464 0.459 20 30 ECEDMO N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)cn1 ZINC001058469344 774245949 /nfs/dbraw/zinc/24/59/49/774245949.db2.gz DUPILOIVOPVPGM-TZMCWYRMSA-N 1 1 337.387 0.817 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001058497176 774308343 /nfs/dbraw/zinc/30/83/43/774308343.db2.gz KLBBHJCPTFWKPH-GJZGRUSLSA-N 1 1 339.480 0.866 20 30 ECEDMO C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001039830431 783167471 /nfs/dbraw/zinc/16/74/71/783167471.db2.gz GYJXLMUWMOICCN-SUMWQHHRSA-N 1 1 334.420 0.634 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058623123 774559844 /nfs/dbraw/zinc/55/98/44/774559844.db2.gz HOALTPFBOAWGEP-HNNXBMFYSA-N 1 1 325.453 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)Cc2ccn[nH]2)C1=O ZINC001044971393 774785170 /nfs/dbraw/zinc/78/51/70/774785170.db2.gz PNNUNEUQUYGKCM-LSDHHAIUSA-N 1 1 331.420 0.320 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001044980574 774795904 /nfs/dbraw/zinc/79/59/04/774795904.db2.gz OFQGDOFJGLBXAR-KGLIPLIRSA-N 1 1 339.480 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2nc[nH]n2)C1=O ZINC001044983098 774798350 /nfs/dbraw/zinc/79/83/50/774798350.db2.gz LZXDAZHOYGNVHU-UONOGXRCSA-N 1 1 346.435 0.105 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCCC2CC2)C1 ZINC001045022721 774855009 /nfs/dbraw/zinc/85/50/09/774855009.db2.gz SWYQMQQYSKDRSD-INIZCTEOSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCCC2CC2)C1 ZINC001045022721 774855020 /nfs/dbraw/zinc/85/50/20/774855020.db2.gz SWYQMQQYSKDRSD-INIZCTEOSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nnc(CC)o1 ZINC001045073328 774935061 /nfs/dbraw/zinc/93/50/61/774935061.db2.gz CMKFNHDOMFDPDT-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nnc(CC)o1 ZINC001045073328 774935068 /nfs/dbraw/zinc/93/50/68/774935068.db2.gz CMKFNHDOMFDPDT-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)C1 ZINC001045101519 774978660 /nfs/dbraw/zinc/97/86/60/774978660.db2.gz APYCMKJIMHLQAR-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001045147171 775053646 /nfs/dbraw/zinc/05/36/46/775053646.db2.gz ANMYPBQJYVTFCT-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043909338 775284579 /nfs/dbraw/zinc/28/45/79/775284579.db2.gz HIAJHCINFYERAN-AWEZNQCLSA-N 1 1 334.420 0.483 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]2O)C1 ZINC001044062476 775620000 /nfs/dbraw/zinc/62/00/00/775620000.db2.gz DRFPTTOMYVQWFG-VMGRFDJRSA-N 1 1 346.406 0.705 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001045551893 775780766 /nfs/dbraw/zinc/78/07/66/775780766.db2.gz NPRKCQLIUBQJRS-KBPBESRZSA-N 1 1 336.436 0.098 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070034006 790397375 /nfs/dbraw/zinc/39/73/75/790397375.db2.gz VNYALHXTEIZFLE-JJXSEGSLSA-N 1 1 341.419 0.343 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070034006 790397391 /nfs/dbraw/zinc/39/73/91/790397391.db2.gz VNYALHXTEIZFLE-JJXSEGSLSA-N 1 1 341.419 0.343 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001045633358 775935904 /nfs/dbraw/zinc/93/59/04/775935904.db2.gz KVPKAOCGDYIDLT-AWEZNQCLSA-N 1 1 343.855 0.957 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001044294227 776077991 /nfs/dbraw/zinc/07/79/91/776077991.db2.gz JAMRKIIBWUPPQN-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070044015 790433728 /nfs/dbraw/zinc/43/37/28/790433728.db2.gz WBMKOJVDWVYKFM-CABCVRRESA-N 1 1 341.419 0.580 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070044015 790433734 /nfs/dbraw/zinc/43/37/34/790433734.db2.gz WBMKOJVDWVYKFM-CABCVRRESA-N 1 1 341.419 0.580 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070045540 790438150 /nfs/dbraw/zinc/43/81/50/790438150.db2.gz HGEXCXXXSJHXLS-OLZOCXBDSA-N 1 1 335.799 0.356 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070045540 790438155 /nfs/dbraw/zinc/43/81/55/790438155.db2.gz HGEXCXXXSJHXLS-OLZOCXBDSA-N 1 1 335.799 0.356 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001044478232 776340644 /nfs/dbraw/zinc/34/06/44/776340644.db2.gz CKNAPWQZRUOQJP-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070046944 790442251 /nfs/dbraw/zinc/44/22/51/790442251.db2.gz XRZWMXGCXFTLDJ-KGLIPLIRSA-N 1 1 332.433 0.895 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070046944 790442256 /nfs/dbraw/zinc/44/22/56/790442256.db2.gz XRZWMXGCXFTLDJ-KGLIPLIRSA-N 1 1 332.433 0.895 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]2O)C1 ZINC001044546385 776416636 /nfs/dbraw/zinc/41/66/36/776416636.db2.gz DHXJCIXSYREWCV-MJEQTWJJSA-N 1 1 346.406 0.705 20 30 ECEDMO Cc1nc(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)ccc1C#N ZINC001044546768 776417021 /nfs/dbraw/zinc/41/70/21/776417021.db2.gz HVTSFDQNNXOXDQ-MAZHCROVSA-N 1 1 343.431 0.269 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)[C@@H](n2ccnn2)C1 ZINC001070051771 790456311 /nfs/dbraw/zinc/45/63/11/790456311.db2.gz ODHXSZPJDQZLQM-FZKCQIBNSA-N 1 1 331.420 0.787 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)[C@@H](n2ccnn2)C1 ZINC001070051771 790456317 /nfs/dbraw/zinc/45/63/17/790456317.db2.gz ODHXSZPJDQZLQM-FZKCQIBNSA-N 1 1 331.420 0.787 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642493 776588413 /nfs/dbraw/zinc/58/84/13/776588413.db2.gz CLJDEPLJJKQNGP-KCPJHIHWSA-N 1 1 328.372 0.603 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079689486 776691328 /nfs/dbraw/zinc/69/13/28/776691328.db2.gz FDVQWRJQUXOZFF-KRWDZBQOSA-N 1 1 325.453 0.713 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001079689735 776691360 /nfs/dbraw/zinc/69/13/60/776691360.db2.gz JBCAEEVMCVHWSL-KRWDZBQOSA-N 1 1 334.420 0.578 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](n2ccnn2)C1 ZINC001070062757 790483569 /nfs/dbraw/zinc/48/35/69/790483569.db2.gz BIHHMLMDPKBNNR-KGLIPLIRSA-N 1 1 329.408 0.552 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001079778311 776857590 /nfs/dbraw/zinc/85/75/90/776857590.db2.gz WKXWZOFLNURSAH-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnoc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070068104 790497687 /nfs/dbraw/zinc/49/76/87/790497687.db2.gz HJVWJSJJCOBHPW-CABCVRRESA-N 1 1 340.387 0.822 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnoc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070068104 790497696 /nfs/dbraw/zinc/49/76/96/790497696.db2.gz HJVWJSJJCOBHPW-CABCVRRESA-N 1 1 340.387 0.822 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001070068246 790497758 /nfs/dbraw/zinc/49/77/58/790497758.db2.gz OSPOGYSTCZTTNE-KGLIPLIRSA-N 1 1 328.376 0.523 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001070068246 790497766 /nfs/dbraw/zinc/49/77/66/790497766.db2.gz OSPOGYSTCZTTNE-KGLIPLIRSA-N 1 1 328.376 0.523 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001079867760 777000229 /nfs/dbraw/zinc/00/02/29/777000229.db2.gz OUJFETXHBBVBKU-XOKHGSTOSA-N 1 1 325.412 0.973 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2Cl)[C@@H](n2ccnn2)C1 ZINC001070073244 790510962 /nfs/dbraw/zinc/51/09/62/790510962.db2.gz BGWGSNWSNJEUNG-OLZOCXBDSA-N 1 1 347.810 0.344 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2Cl)[C@@H](n2ccnn2)C1 ZINC001070073244 790510971 /nfs/dbraw/zinc/51/09/71/790510971.db2.gz BGWGSNWSNJEUNG-OLZOCXBDSA-N 1 1 347.810 0.344 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001080081143 777354225 /nfs/dbraw/zinc/35/42/25/777354225.db2.gz JKMLBKRFRYGUBQ-CZUORRHYSA-N 1 1 329.400 0.624 20 30 ECEDMO C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001080224024 777580811 /nfs/dbraw/zinc/58/08/11/777580811.db2.gz IKVXVRPTUQBDQO-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001080224024 777580817 /nfs/dbraw/zinc/58/08/17/777580817.db2.gz IKVXVRPTUQBDQO-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](n2ccnn2)C1 ZINC001070084512 790548643 /nfs/dbraw/zinc/54/86/43/790548643.db2.gz HBSMSBAMUNSTNW-KGLIPLIRSA-N 1 1 340.391 0.485 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](n2ccnn2)C1 ZINC001070084512 790548650 /nfs/dbraw/zinc/54/86/50/790548650.db2.gz HBSMSBAMUNSTNW-KGLIPLIRSA-N 1 1 340.391 0.485 20 30 ECEDMO CC#CCCCC(=O)N(CC)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001080294912 777655651 /nfs/dbraw/zinc/65/56/51/777655651.db2.gz YVCRFWRJDSPSKV-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001080313545 777669846 /nfs/dbraw/zinc/66/98/46/777669846.db2.gz QTPDZKQQXXIYSU-BPLDGKMQSA-N 1 1 332.404 0.441 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080322550 777683747 /nfs/dbraw/zinc/68/37/47/777683747.db2.gz HPEJWLKXMYWBHM-KRWDZBQOSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080322550 777683754 /nfs/dbraw/zinc/68/37/54/777683754.db2.gz HPEJWLKXMYWBHM-KRWDZBQOSA-N 1 1 349.475 0.958 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1 ZINC001070089010 790566219 /nfs/dbraw/zinc/56/62/19/790566219.db2.gz RJBRNCIGQOTLFF-KGLIPLIRSA-N 1 1 326.360 0.057 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1 ZINC001070089010 790566229 /nfs/dbraw/zinc/56/62/29/790566229.db2.gz RJBRNCIGQOTLFF-KGLIPLIRSA-N 1 1 326.360 0.057 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001070092003 790573317 /nfs/dbraw/zinc/57/33/17/790573317.db2.gz LOIRIXOZWDRIFC-MRXNPFEDSA-N 1 1 349.475 0.913 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043187894 777913516 /nfs/dbraw/zinc/91/35/16/777913516.db2.gz XSULWTLOULGIDG-ZBFHGGJFSA-N 1 1 349.475 0.642 20 30 ECEDMO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001080532374 777970517 /nfs/dbraw/zinc/97/05/17/777970517.db2.gz HJXXLISHJNHSHM-UHFFFAOYSA-N 1 1 331.420 0.901 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001070093761 790580323 /nfs/dbraw/zinc/58/03/23/790580323.db2.gz FUJQAVQYZXYOGW-CABCVRRESA-N 1 1 330.392 0.653 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001070093761 790580330 /nfs/dbraw/zinc/58/03/30/790580330.db2.gz FUJQAVQYZXYOGW-CABCVRRESA-N 1 1 330.392 0.653 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C1CN(C(=O)CSCC#N)C1 ZINC001080558398 778027510 /nfs/dbraw/zinc/02/75/10/778027510.db2.gz SIHVIAXLVXJESS-JSGCOSHPSA-N 1 1 338.477 0.500 20 30 ECEDMO CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001080559888 778037949 /nfs/dbraw/zinc/03/79/49/778037949.db2.gz QIXXKFGDBAFUOY-CYBMUJFWSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001080564585 778049326 /nfs/dbraw/zinc/04/93/26/778049326.db2.gz ZRFBXKWOAXHIGX-UHFFFAOYSA-N 1 1 349.475 0.818 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001080588355 778099532 /nfs/dbraw/zinc/09/95/32/778099532.db2.gz AGDJLHKVUYABTC-BNOWGMLFSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001080588355 778099537 /nfs/dbraw/zinc/09/95/37/778099537.db2.gz AGDJLHKVUYABTC-BNOWGMLFSA-N 1 1 331.420 0.555 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)O1 ZINC001068568981 790594111 /nfs/dbraw/zinc/59/41/11/790594111.db2.gz MXOOJTANGHEAEN-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(C#N)cn2)C1 ZINC001043404548 778281813 /nfs/dbraw/zinc/28/18/13/778281813.db2.gz VAORIBONLXDLDJ-BXUZGUMPSA-N 1 1 325.376 0.812 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043414503 778289825 /nfs/dbraw/zinc/28/98/25/778289825.db2.gz JUEGASRMXRJZIU-GASCZTMLSA-N 1 1 349.475 0.598 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 ZINC001043463878 778377938 /nfs/dbraw/zinc/37/79/38/778377938.db2.gz QOEDHGLGSDSKKD-MRXNPFEDSA-N 1 1 347.459 0.352 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001043528522 778476094 /nfs/dbraw/zinc/47/60/94/778476094.db2.gz WSERQLDHHVSHGG-OAHLLOKOSA-N 1 1 346.431 0.071 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1Nc1ccc(C#N)nn1 ZINC001043563893 778519929 /nfs/dbraw/zinc/51/99/29/778519929.db2.gz JTASKDFIPBEAEK-QHSBEEBCSA-N 1 1 328.420 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001043606442 778581168 /nfs/dbraw/zinc/58/11/68/778581168.db2.gz QBKCCNUOHRJUIE-HOCLYGCPSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001043606442 778581171 /nfs/dbraw/zinc/58/11/71/778581171.db2.gz QBKCCNUOHRJUIE-HOCLYGCPSA-N 1 1 347.459 0.210 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070110244 790636634 /nfs/dbraw/zinc/63/66/34/790636634.db2.gz HLGBXEFZUUCOOG-IMJJTQAJSA-N 1 1 343.435 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070110244 790636641 /nfs/dbraw/zinc/63/66/41/790636641.db2.gz HLGBXEFZUUCOOG-IMJJTQAJSA-N 1 1 343.435 0.733 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111712 790642244 /nfs/dbraw/zinc/64/22/44/790642244.db2.gz WJZRUMMMXPDIKC-OIISXLGYSA-N 1 1 345.447 0.706 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)C#CC(C)(C)C)CCOCC1 ZINC001070111882 790642514 /nfs/dbraw/zinc/64/25/14/790642514.db2.gz DJBHYHZRLILHJA-HNNXBMFYSA-N 1 1 349.475 0.912 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(c3ccncc3C#N)C[C@@H]21 ZINC001043678897 778708595 /nfs/dbraw/zinc/70/85/95/778708595.db2.gz WCFGQLMRPPYSQG-IXDOHACOSA-N 1 1 341.415 0.463 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 ZINC001068589251 790646378 /nfs/dbraw/zinc/64/63/78/790646378.db2.gz RHPZXZFZGYUHGW-ABHRYQDASA-N 1 1 328.420 0.853 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)CCC1 ZINC001043771794 778846157 /nfs/dbraw/zinc/84/61/57/778846157.db2.gz ZAVOCNXKVMGTJG-OAHLLOKOSA-N 1 1 347.459 0.354 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)C#N)O2 ZINC001068622860 790739069 /nfs/dbraw/zinc/73/90/69/790739069.db2.gz MMOXBEQJZDAZSU-OCCSQVGLSA-N 1 1 345.403 0.227 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC001042301703 780023268 /nfs/dbraw/zinc/02/32/68/780023268.db2.gz MJAHYVQZANEDIB-STQMWFEESA-N 1 1 334.420 0.426 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC001042331425 780086135 /nfs/dbraw/zinc/08/61/35/780086135.db2.gz BVGGPVAQQLGNPJ-UONOGXRCSA-N 1 1 348.447 0.816 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]21 ZINC001042353032 780124025 /nfs/dbraw/zinc/12/40/25/780124025.db2.gz GQDIGBJSWIKJQX-TZMCWYRMSA-N 1 1 330.388 0.046 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]21 ZINC001042354435 780126471 /nfs/dbraw/zinc/12/64/71/780126471.db2.gz SFVPKZNPJSIYMM-JSGCOSHPSA-N 1 1 332.404 0.598 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@H]21 ZINC001042362679 780147397 /nfs/dbraw/zinc/14/73/97/780147397.db2.gz LGXGPEKUVSOLRI-CZUORRHYSA-N 1 1 326.400 0.740 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 ZINC001042362313 780147773 /nfs/dbraw/zinc/14/77/73/780147773.db2.gz JKEGHNKXJLADFC-HIFRSBDPSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(OC)ncnc3OC)C[C@H]21 ZINC001042379285 780173544 /nfs/dbraw/zinc/17/35/44/780173544.db2.gz JIKSJOXVCWQXNL-QWHCGFSZSA-N 1 1 330.388 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C=C(CC)CC)C1 ZINC001042505874 780362085 /nfs/dbraw/zinc/36/20/85/780362085.db2.gz JJCFVYSONBLSGA-INIZCTEOSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C=C(CC)CC)C1 ZINC001042505874 780362095 /nfs/dbraw/zinc/36/20/95/780362095.db2.gz JJCFVYSONBLSGA-INIZCTEOSA-N 1 1 347.459 0.520 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CC#Cc2ccccc2)C1 ZINC001042573958 780467935 /nfs/dbraw/zinc/46/79/35/780467935.db2.gz ZNKLVYHKHSAZRM-GOSISDBHSA-N 1 1 327.428 0.511 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CC#Cc2ccccc2)C1 ZINC001042573958 780467938 /nfs/dbraw/zinc/46/79/38/780467938.db2.gz ZNKLVYHKHSAZRM-GOSISDBHSA-N 1 1 327.428 0.511 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001078896532 780593529 /nfs/dbraw/zinc/59/35/29/780593529.db2.gz OKXPXRQQLMIPLY-IRXDYDNUSA-N 1 1 349.475 0.816 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001078896532 780593537 /nfs/dbraw/zinc/59/35/37/780593537.db2.gz OKXPXRQQLMIPLY-IRXDYDNUSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001042658370 780597811 /nfs/dbraw/zinc/59/78/11/780597811.db2.gz FMBXBORZIVZJDE-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001042751227 780744297 /nfs/dbraw/zinc/74/42/97/780744297.db2.gz VWOMWJSSHBPRIR-GVDBMIGSSA-N 1 1 348.491 0.646 20 30 ECEDMO CO[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001042776248 780795767 /nfs/dbraw/zinc/79/57/67/780795767.db2.gz IUHBVKZMNZBHDO-QLFBSQMISA-N 1 1 347.394 0.506 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001079164505 780845412 /nfs/dbraw/zinc/84/54/12/780845412.db2.gz HDTZGIKTZLMFBZ-AWEZNQCLSA-N 1 1 346.435 0.614 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001042801787 780846633 /nfs/dbraw/zinc/84/66/33/780846633.db2.gz UELKAAUBLAODCS-AWEZNQCLSA-N 1 1 344.415 0.254 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001042803096 780849457 /nfs/dbraw/zinc/84/94/57/780849457.db2.gz RTLBTYHFYSQLJJ-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001042836817 780917200 /nfs/dbraw/zinc/91/72/00/780917200.db2.gz WZFRWTLRRXBOGD-MRVWCRGKSA-N 1 1 349.460 0.595 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001079345122 781010909 /nfs/dbraw/zinc/01/09/09/781010909.db2.gz ZBZHURYISDBSII-CYBMUJFWSA-N 1 1 338.477 0.787 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400087 781076842 /nfs/dbraw/zinc/07/68/42/781076842.db2.gz LTCHNFRPZGCWFO-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400087 781076845 /nfs/dbraw/zinc/07/68/45/781076845.db2.gz LTCHNFRPZGCWFO-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C[C@@H](O)c2ccccc2)C1 ZINC001042959967 781100789 /nfs/dbraw/zinc/10/07/89/781100789.db2.gz ILSCBULIRPGXEM-RBUKOAKNSA-N 1 1 341.455 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C[C@@H](O)c2ccccc2)C1 ZINC001042959967 781100792 /nfs/dbraw/zinc/10/07/92/781100792.db2.gz ILSCBULIRPGXEM-RBUKOAKNSA-N 1 1 341.455 0.960 20 30 ECEDMO CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001043011737 781178249 /nfs/dbraw/zinc/17/82/49/781178249.db2.gz REMQKUYAJMWKCL-AAVRWANBSA-N 1 1 344.419 0.008 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001043022345 781201111 /nfs/dbraw/zinc/20/11/11/781201111.db2.gz DDWPXYWWUQOJTP-OAHLLOKOSA-N 1 1 337.464 0.905 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 ZINC001043023773 781204148 /nfs/dbraw/zinc/20/41/48/781204148.db2.gz QFAJLKQDULVAQV-KGLIPLIRSA-N 1 1 336.436 0.098 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2ccon2)C1 ZINC001079535897 781237499 /nfs/dbraw/zinc/23/74/99/781237499.db2.gz NGWXAUOAUMPHCI-INIZCTEOSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2ccon2)C1 ZINC001079535897 781237503 /nfs/dbraw/zinc/23/75/03/781237503.db2.gz NGWXAUOAUMPHCI-INIZCTEOSA-N 1 1 344.415 0.374 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001043044324 781237703 /nfs/dbraw/zinc/23/77/03/781237703.db2.gz WQXRKFCZWVFTOC-MRXNPFEDSA-N 1 1 349.475 0.742 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079540725 781242262 /nfs/dbraw/zinc/24/22/62/781242262.db2.gz WQEZEZNWFPJMIU-XNRPHZJLSA-N 1 1 342.403 0.194 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001079576455 781281322 /nfs/dbraw/zinc/28/13/22/781281322.db2.gz POCKBWUNGDPZHQ-OIISXLGYSA-N 1 1 342.443 0.848 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079581552 781286024 /nfs/dbraw/zinc/28/60/24/781286024.db2.gz STIWKTLIWSBSGY-BXUZGUMPSA-N 1 1 343.387 0.085 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001041369242 781370665 /nfs/dbraw/zinc/37/06/65/781370665.db2.gz WOKUYNWSGLDGOY-QFBILLFUSA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC001041451043 781543276 /nfs/dbraw/zinc/54/32/76/781543276.db2.gz FWDJSVVEFNZHTQ-MAUKXSAKSA-N 1 1 332.448 0.725 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(OCC(N)=O)cc3)C2)C1 ZINC001041455817 781551971 /nfs/dbraw/zinc/55/19/71/781551971.db2.gz UYASIGVUPHOKKH-IBGZPJMESA-N 1 1 341.411 0.722 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNc2cnc(C#N)cn2)C1 ZINC001041478459 781594584 /nfs/dbraw/zinc/59/45/84/781594584.db2.gz AZQYHIOAIGDMPK-CABCVRRESA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](CNc2ccncc2C#N)C1 ZINC001041483260 781606281 /nfs/dbraw/zinc/60/62/81/781606281.db2.gz QBXCMOVHSMXNTJ-NVXWUHKLSA-N 1 1 343.431 0.499 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4CC3)C2)C1 ZINC001041487416 781615341 /nfs/dbraw/zinc/61/53/41/781615341.db2.gz SHNXOVMIQVCFOG-CRAIPNDOSA-N 1 1 327.432 0.788 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3ncn(C)c3=O)C2)C1 ZINC001041510293 781667182 /nfs/dbraw/zinc/66/71/82/781667182.db2.gz WHYSOLLZMAKSOC-SFHVURJKSA-N 1 1 347.463 0.863 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(C(C)(C)C)c2=O)C1 ZINC001077805737 781727579 /nfs/dbraw/zinc/72/75/79/781727579.db2.gz KMODDCIGQILPDB-HUUCEWRRSA-N 1 1 333.432 0.954 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)nn1 ZINC001077812732 781740970 /nfs/dbraw/zinc/74/09/70/781740970.db2.gz QJUWWJQSXTXJQQ-IIAWOOMASA-N 1 1 349.435 0.056 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2O)nn1 ZINC001077813901 781746370 /nfs/dbraw/zinc/74/63/70/781746370.db2.gz IKJPAMOFLOFBRQ-SQWLQELKSA-N 1 1 349.435 0.198 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077823003 781761288 /nfs/dbraw/zinc/76/12/88/781761288.db2.gz ONKFNZVLAVVAHZ-HZMVEIRTSA-N 1 1 338.448 0.556 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001041599625 781827910 /nfs/dbraw/zinc/82/79/10/781827910.db2.gz ISWHFUHPVDXKQD-KDOFPFPSSA-N 1 1 327.432 0.478 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001041603686 781835375 /nfs/dbraw/zinc/83/53/75/781835375.db2.gz XQCAFDZKUVMSPG-DNVCBOLYSA-N 1 1 341.459 0.868 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)CCCO1 ZINC001039908030 783257325 /nfs/dbraw/zinc/25/73/25/783257325.db2.gz OQEYDIMXFGWSOX-IAGOWNOFSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001040728545 783338409 /nfs/dbraw/zinc/33/84/09/783338409.db2.gz BLTZHBXIPJEUNF-KRWDZBQOSA-N 1 1 325.453 0.763 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC2(C1)CCN(CC#N)CC2 ZINC001040729369 783341147 /nfs/dbraw/zinc/34/11/47/783341147.db2.gz IDLMHCQEFDZASK-MRXNPFEDSA-N 1 1 344.463 0.651 20 30 ECEDMO N#CCN1CCC2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001040779112 783424063 /nfs/dbraw/zinc/42/40/63/783424063.db2.gz ANZLUXDLGPRQGU-WUJZJPHMSA-N 1 1 344.459 0.688 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001040047651 783437535 /nfs/dbraw/zinc/43/75/35/783437535.db2.gz MTIYUOQOEMJHEB-CRAIPNDOSA-N 1 1 337.464 0.907 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)C1 ZINC001040825181 783513319 /nfs/dbraw/zinc/51/33/19/783513319.db2.gz NWZSDVQELMKAFM-OFQRWUPVSA-N 1 1 340.431 0.727 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001040105861 783559011 /nfs/dbraw/zinc/55/90/11/783559011.db2.gz AQPOIZGPMYECFS-VQIMIIECSA-N 1 1 347.459 0.354 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070192601 783626454 /nfs/dbraw/zinc/62/64/54/783626454.db2.gz DYZUSPWEPWPALW-ILXRZTDVSA-N 1 1 331.424 0.016 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@@H]1n1ccnn1 ZINC001070317727 783824908 /nfs/dbraw/zinc/82/49/08/783824908.db2.gz YZKICTLECABDFG-KGLIPLIRSA-N 1 1 349.826 0.646 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1n1ccnn1 ZINC001070331173 783839176 /nfs/dbraw/zinc/83/91/76/783839176.db2.gz HSLFNOYRSXJHBN-KGLIPLIRSA-N 1 1 334.811 0.943 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CC#Cc2ccccc2)C1 ZINC001038138973 783907348 /nfs/dbraw/zinc/90/73/48/783907348.db2.gz ZJDQJVQFAWQGEG-QZTJIDSGSA-N 1 1 327.428 0.559 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CC#Cc2ccccc2)C1 ZINC001038138973 783907353 /nfs/dbraw/zinc/90/73/53/783907353.db2.gz ZJDQJVQFAWQGEG-QZTJIDSGSA-N 1 1 327.428 0.559 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnon2)C1 ZINC001070387412 783935557 /nfs/dbraw/zinc/93/55/57/783935557.db2.gz OMTRAYCLRMSMRO-AWEZNQCLSA-N 1 1 341.371 0.871 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCN2C)C1 ZINC001070399281 783965602 /nfs/dbraw/zinc/96/56/02/783965602.db2.gz IFDXGPOKOBAYQZ-GOEBONIOSA-N 1 1 329.448 0.933 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCN2C)C1 ZINC001070399281 783965609 /nfs/dbraw/zinc/96/56/09/783965609.db2.gz IFDXGPOKOBAYQZ-GOEBONIOSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)nc2C)C1 ZINC001070399504 783967446 /nfs/dbraw/zinc/96/74/46/783967446.db2.gz LRROPIUSAZNWPD-CYBMUJFWSA-N 1 1 326.404 0.804 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)nn2)C1 ZINC001070408583 783993874 /nfs/dbraw/zinc/99/38/74/783993874.db2.gz WRGGFDRZDCVSAM-GFCCVEGCSA-N 1 1 327.392 0.281 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001070412846 784007013 /nfs/dbraw/zinc/00/70/13/784007013.db2.gz LUQPWVDPCMQBSM-NWANDNLSSA-N 1 1 338.415 0.975 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001070412846 784007022 /nfs/dbraw/zinc/00/70/22/784007022.db2.gz LUQPWVDPCMQBSM-NWANDNLSSA-N 1 1 338.415 0.975 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001070412846 784007032 /nfs/dbraw/zinc/00/70/32/784007032.db2.gz LUQPWVDPCMQBSM-NWANDNLSSA-N 1 1 338.415 0.975 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001070419873 784027792 /nfs/dbraw/zinc/02/77/92/784027792.db2.gz KLCYYDCYFQJBCH-ZFWWWQNUSA-N 1 1 343.431 0.459 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001070421563 784031255 /nfs/dbraw/zinc/03/12/55/784031255.db2.gz PVKZKXZTNBEECO-UKRRQHHQSA-N 1 1 343.431 0.317 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001070422575 784034219 /nfs/dbraw/zinc/03/42/19/784034219.db2.gz CKWMMUMRXDEXTO-YPMHNXCESA-N 1 1 332.408 0.073 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001070422813 784035358 /nfs/dbraw/zinc/03/53/58/784035358.db2.gz ITBSQCDAFDXKJB-NSHDSACASA-N 1 1 330.392 0.754 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070422813 784035363 /nfs/dbraw/zinc/03/53/63/784035363.db2.gz ITBSQCDAFDXKJB-NSHDSACASA-N 1 1 330.392 0.754 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070422813 784035368 /nfs/dbraw/zinc/03/53/68/784035368.db2.gz ITBSQCDAFDXKJB-NSHDSACASA-N 1 1 330.392 0.754 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(CC)nn2)C1 ZINC001070431310 784053915 /nfs/dbraw/zinc/05/39/15/784053915.db2.gz RIUXQLLEEBTQSQ-LBPRGKRZSA-N 1 1 327.392 0.374 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nn(CC)nc2C)C1 ZINC001070435369 784065258 /nfs/dbraw/zinc/06/52/58/784065258.db2.gz DURYFKORESSFOL-CYBMUJFWSA-N 1 1 341.419 0.682 20 30 ECEDMO CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001070908490 784095583 /nfs/dbraw/zinc/09/55/83/784095583.db2.gz KISNYPAILTUOKU-CFVMTHIKSA-N 1 1 343.387 0.626 20 30 ECEDMO CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001070908490 784095588 /nfs/dbraw/zinc/09/55/88/784095588.db2.gz KISNYPAILTUOKU-CFVMTHIKSA-N 1 1 343.387 0.626 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H](O)C(C)C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445048 784096668 /nfs/dbraw/zinc/09/66/68/784096668.db2.gz ZTOPIANLLUVECX-ZIAGYGMSSA-N 1 1 333.436 0.544 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H](OC)C1CC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070445926 784097928 /nfs/dbraw/zinc/09/79/28/784097928.db2.gz NQEKXIFBRHICSQ-LSDHHAIUSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@]1(F)CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070449923 784108847 /nfs/dbraw/zinc/10/88/47/784108847.db2.gz YHCLUHLGBBZKQQ-CXAGYDPISA-N 1 1 349.410 0.656 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001070921293 784119039 /nfs/dbraw/zinc/11/90/39/784119039.db2.gz UPWGTBJDXGORHD-BNOWGMLFSA-N 1 1 347.375 0.365 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001070921293 784119043 /nfs/dbraw/zinc/11/90/43/784119043.db2.gz UPWGTBJDXGORHD-BNOWGMLFSA-N 1 1 347.375 0.365 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCCC(C)=O)C1 ZINC001070921929 784120056 /nfs/dbraw/zinc/12/00/56/784120056.db2.gz TTYDYBYQLLFYJQ-SJORKVTESA-N 1 1 347.459 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCCC(C)=O)C1 ZINC001070921929 784120059 /nfs/dbraw/zinc/12/00/59/784120059.db2.gz TTYDYBYQLLFYJQ-SJORKVTESA-N 1 1 347.459 0.951 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)O1 ZINC001070926258 784128542 /nfs/dbraw/zinc/12/85/42/784128542.db2.gz CDXICAMUUMCQRH-FVQBIDKESA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)O1 ZINC001070926258 784128546 /nfs/dbraw/zinc/12/85/46/784128546.db2.gz CDXICAMUUMCQRH-FVQBIDKESA-N 1 1 333.432 0.226 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)C2=COCCO2)CC1 ZINC001070936755 784159463 /nfs/dbraw/zinc/15/94/63/784159463.db2.gz REHUNEKYEBDHDM-UHFFFAOYSA-N 1 1 337.420 0.491 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1c1cn(C)cn1 ZINC001070486431 784174527 /nfs/dbraw/zinc/17/45/27/784174527.db2.gz OFBCXCWMNTWHIZ-GXTWGEPZSA-N 1 1 325.372 0.352 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1c1cn(C)cn1 ZINC001070505864 784202866 /nfs/dbraw/zinc/20/28/66/784202866.db2.gz MGRYLLZJNBYNRK-UAGQMJEPSA-N 1 1 329.448 0.422 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(C)c2nccnc2C#N)CC1 ZINC001068727030 791005960 /nfs/dbraw/zinc/00/59/60/791005960.db2.gz BNMKXDWDEZALGF-HIFRSBDPSA-N 1 1 342.447 0.973 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001070966735 784254555 /nfs/dbraw/zinc/25/45/55/784254555.db2.gz KLUYVBVJCWLPIO-JKSUJKDBSA-N 1 1 336.480 0.553 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070553010 784264662 /nfs/dbraw/zinc/26/46/62/784264662.db2.gz VFHAQLYRBSBZBR-GXTWGEPZSA-N 1 1 329.408 0.241 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001070970634 784271215 /nfs/dbraw/zinc/27/12/15/784271215.db2.gz PBMZQYMHHBDYJF-UHFFFAOYSA-N 1 1 348.447 0.321 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001070970634 784271224 /nfs/dbraw/zinc/27/12/24/784271224.db2.gz PBMZQYMHHBDYJF-UHFFFAOYSA-N 1 1 348.447 0.321 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001070975053 784287385 /nfs/dbraw/zinc/28/73/85/784287385.db2.gz CMAOEBHQTFGXON-INIZCTEOSA-N 1 1 336.480 0.697 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2csnn2)CC1 ZINC001070983991 784320195 /nfs/dbraw/zinc/32/01/95/784320195.db2.gz OTDBXLKJHOBYHG-UHFFFAOYSA-N 1 1 337.449 0.768 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2csnn2)CC1 ZINC001070983991 784320198 /nfs/dbraw/zinc/32/01/98/784320198.db2.gz OTDBXLKJHOBYHG-UHFFFAOYSA-N 1 1 337.449 0.768 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(=O)NCC[N@@H+]([C@H](C)COC)CC1 ZINC001070987144 784331020 /nfs/dbraw/zinc/33/10/20/784331020.db2.gz SGUSDLVFTUAVQI-CQSZACIVSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(=O)NCC[N@H+]([C@H](C)COC)CC1 ZINC001070987144 784331030 /nfs/dbraw/zinc/33/10/30/784331030.db2.gz SGUSDLVFTUAVQI-CQSZACIVSA-N 1 1 325.453 0.884 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(=O)NCC[N@@H+](CCC)CC2)c1 ZINC001070997779 784361440 /nfs/dbraw/zinc/36/14/40/784361440.db2.gz XPIOKNNPMQLXBH-UHFFFAOYSA-N 1 1 328.416 0.737 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(=O)NCC[N@H+](CCC)CC2)c1 ZINC001070997779 784361452 /nfs/dbraw/zinc/36/14/52/784361452.db2.gz XPIOKNNPMQLXBH-UHFFFAOYSA-N 1 1 328.416 0.737 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001070999997 784367346 /nfs/dbraw/zinc/36/73/46/784367346.db2.gz JKAIIIQNAKVCNN-CVEARBPZSA-N 1 1 336.480 0.411 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001071000135 784371734 /nfs/dbraw/zinc/37/17/34/784371734.db2.gz PPQUCARKFAFMTO-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C)[nH]c2=O)CC1 ZINC001071004866 784383087 /nfs/dbraw/zinc/38/30/87/784383087.db2.gz UYRBEORKGNKRLL-UHFFFAOYSA-N 1 1 346.431 0.936 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C)[nH]c2=O)CC1 ZINC001071004866 784383094 /nfs/dbraw/zinc/38/30/94/784383094.db2.gz UYRBEORKGNKRLL-UHFFFAOYSA-N 1 1 346.431 0.936 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(=O)NCC[N@@H+](CCC)CC2)nn1 ZINC001071007656 784393363 /nfs/dbraw/zinc/39/33/63/784393363.db2.gz UFMZEYZWFYPLAG-UHFFFAOYSA-N 1 1 334.424 0.138 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(=O)NCC[N@H+](CCC)CC2)nn1 ZINC001071007656 784393368 /nfs/dbraw/zinc/39/33/68/784393368.db2.gz UFMZEYZWFYPLAG-UHFFFAOYSA-N 1 1 334.424 0.138 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001070599276 784411464 /nfs/dbraw/zinc/41/14/64/784411464.db2.gz QXYYLSVEFNJQST-FQUUOJAGSA-N 1 1 347.419 0.218 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccc(OC)n2)CC1 ZINC001071013222 784412650 /nfs/dbraw/zinc/41/26/50/784412650.db2.gz VCEYMSSMKBTYDS-UHFFFAOYSA-N 1 1 346.431 0.930 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccc(OC)n2)CC1 ZINC001071013222 784412654 /nfs/dbraw/zinc/41/26/54/784412654.db2.gz VCEYMSSMKBTYDS-UHFFFAOYSA-N 1 1 346.431 0.930 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc[nH]n2)n1 ZINC001070599412 784412943 /nfs/dbraw/zinc/41/29/43/784412943.db2.gz ZFXOMXWKNZPOQO-STQMWFEESA-N 1 1 345.407 0.919 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(CC)c2)CC1 ZINC001071014204 784415345 /nfs/dbraw/zinc/41/53/45/784415345.db2.gz DHFQERCCXXHXTO-UHFFFAOYSA-N 1 1 347.463 0.672 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnccn2)n1 ZINC001070600387 784415652 /nfs/dbraw/zinc/41/56/52/784415652.db2.gz TUWBVKNZIPCYDI-UONOGXRCSA-N 1 1 340.387 0.648 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cnn(C)c2)CC1 ZINC001071023309 784449183 /nfs/dbraw/zinc/44/91/83/784449183.db2.gz ZGPOPEHKVDQBFT-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCc2cnn(C)c2)CC1 ZINC001071023309 784449188 /nfs/dbraw/zinc/44/91/88/784449188.db2.gz ZGPOPEHKVDQBFT-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1 ZINC001071025714 784455043 /nfs/dbraw/zinc/45/50/43/784455043.db2.gz SVFFFZKVKRPNNX-HNNXBMFYSA-N 1 1 347.463 0.750 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070634922 784470104 /nfs/dbraw/zinc/47/01/04/784470104.db2.gz MKRHHQGMBHSCCT-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070634922 784470112 /nfs/dbraw/zinc/47/01/12/784470112.db2.gz MKRHHQGMBHSCCT-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001071044057 784474636 /nfs/dbraw/zinc/47/46/36/784474636.db2.gz DWXNGJGZXSMTDT-GLQYFDAESA-N 1 1 333.392 0.715 20 30 ECEDMO C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001071087986 784531156 /nfs/dbraw/zinc/53/11/56/784531156.db2.gz AQECAGAXLPVQGA-WBVHZDCISA-N 1 1 333.436 0.909 20 30 ECEDMO C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001071087986 784531166 /nfs/dbraw/zinc/53/11/66/784531166.db2.gz AQECAGAXLPVQGA-WBVHZDCISA-N 1 1 333.436 0.909 20 30 ECEDMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001070706771 784574594 /nfs/dbraw/zinc/57/45/94/784574594.db2.gz IUARSKSEFNSMBZ-MRXNPFEDSA-N 1 1 333.432 0.229 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CN=NC1=O)C[C@@H](C)O2 ZINC001071158938 784624659 /nfs/dbraw/zinc/62/46/59/784624659.db2.gz DVKDCVREADFRIR-CJNGLKHVSA-N 1 1 335.408 0.252 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@@H](C)O2 ZINC001071159169 784626077 /nfs/dbraw/zinc/62/60/77/784626077.db2.gz IHLPOQGFNQQZOM-CXAGYDPISA-N 1 1 333.388 0.307 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@H](C)O2 ZINC001071160973 784631380 /nfs/dbraw/zinc/63/13/80/784631380.db2.gz BPZGKDUVSXLTTB-SUMWQHHRSA-N 1 1 331.420 0.331 20 30 ECEDMO C=CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001070736146 784635077 /nfs/dbraw/zinc/63/50/77/784635077.db2.gz QWVSVJGQBORBJY-FRRDWIJNSA-N 1 1 336.415 0.644 20 30 ECEDMO C=CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070736146 784635085 /nfs/dbraw/zinc/63/50/85/784635085.db2.gz QWVSVJGQBORBJY-FRRDWIJNSA-N 1 1 336.415 0.644 20 30 ECEDMO C=CCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070736146 784635094 /nfs/dbraw/zinc/63/50/94/784635094.db2.gz QWVSVJGQBORBJY-FRRDWIJNSA-N 1 1 336.415 0.644 20 30 ECEDMO C=CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070736146 784635104 /nfs/dbraw/zinc/63/51/04/784635104.db2.gz QWVSVJGQBORBJY-FRRDWIJNSA-N 1 1 336.415 0.644 20 30 ECEDMO C=CCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001070736146 784635109 /nfs/dbraw/zinc/63/51/09/784635109.db2.gz QWVSVJGQBORBJY-FRRDWIJNSA-N 1 1 336.415 0.644 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cncnc1)C[C@@H](C)O2 ZINC001071164269 784636445 /nfs/dbraw/zinc/63/64/45/784636445.db2.gz JTULLMQIPHSJHH-CRAIPNDOSA-N 1 1 328.416 0.734 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)C[C@H](C)O2 ZINC001071171287 784652554 /nfs/dbraw/zinc/65/25/54/784652554.db2.gz KRRCWSMTZIZTAN-SUMWQHHRSA-N 1 1 348.451 0.920 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)C[C@H](C)O2 ZINC001071171286 784653238 /nfs/dbraw/zinc/65/32/38/784653238.db2.gz KRRCWSMTZIZTAN-GUYCJALGSA-N 1 1 348.451 0.920 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)C[C@@H](C)O2 ZINC001071176487 784666373 /nfs/dbraw/zinc/66/63/73/784666373.db2.gz WJRDQEPHCTVSQW-KDOFPFPSSA-N 1 1 328.416 0.768 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@@H](C)O2 ZINC001071176481 784666479 /nfs/dbraw/zinc/66/64/79/784666479.db2.gz WFXPEGFCZOTTKT-RDTXWAMCSA-N 1 1 344.415 0.604 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@@H](C)O2 ZINC001071178531 784673241 /nfs/dbraw/zinc/67/32/41/784673241.db2.gz RBKHRWXWTHUFMZ-KDOFPFPSSA-N 1 1 344.415 0.109 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)C[C@@H](C)O2 ZINC001071180383 784678943 /nfs/dbraw/zinc/67/89/43/784678943.db2.gz LQLFUOUNMLATLO-XIKOKIGWSA-N 1 1 344.415 0.325 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C[C@H](C)O2 ZINC001071182927 784682347 /nfs/dbraw/zinc/68/23/47/784682347.db2.gz GMCCYQAOQISEJH-UGSOOPFHSA-N 1 1 328.416 0.837 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C[C@H](C)O2 ZINC001071182927 784682351 /nfs/dbraw/zinc/68/23/51/784682351.db2.gz GMCCYQAOQISEJH-UGSOOPFHSA-N 1 1 328.416 0.837 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@H](C)O2 ZINC001071183154 784682633 /nfs/dbraw/zinc/68/26/33/784682633.db2.gz KCDAEOCWKGCFGP-KSSFIOAISA-N 1 1 329.400 0.324 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@@H](C)O2 ZINC001071188867 784693143 /nfs/dbraw/zinc/69/31/43/784693143.db2.gz CBTXINVHOSEGMD-ACJLOTCBSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ncnc3[nH]ccc31)C[C@H](C)O2 ZINC001071187186 784693228 /nfs/dbraw/zinc/69/32/28/784693228.db2.gz ZEQJXRFQPSBNDM-UGSOOPFHSA-N 1 1 339.399 0.848 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncnc3[nH]ccc31)C[C@H](C)O2 ZINC001071187186 784693230 /nfs/dbraw/zinc/69/32/30/784693230.db2.gz ZEQJXRFQPSBNDM-UGSOOPFHSA-N 1 1 339.399 0.848 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cc(C)nn1C)C[C@H](C)O2 ZINC001071189984 784697073 /nfs/dbraw/zinc/69/70/73/784697073.db2.gz RXXGEQUEOSFLIT-LPHOPBHVSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@@H](C)O2 ZINC001071191497 784702113 /nfs/dbraw/zinc/70/21/13/784702113.db2.gz GZSFRTYRSCDRJT-RDTXWAMCSA-N 1 1 344.415 0.109 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)C[C@@H](C)O2 ZINC001071197501 784715529 /nfs/dbraw/zinc/71/55/29/784715529.db2.gz UGRBEKRPBWNIQJ-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)C[C@@H](C)O2 ZINC001071197501 784715539 /nfs/dbraw/zinc/71/55/39/784715539.db2.gz UGRBEKRPBWNIQJ-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@H](C)O2 ZINC001071201574 784723318 /nfs/dbraw/zinc/72/33/18/784723318.db2.gz GZQBDDLOMHAXDJ-SUMWQHHRSA-N 1 1 332.404 0.651 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@@H](C)O2 ZINC001071212571 784748963 /nfs/dbraw/zinc/74/89/63/784748963.db2.gz ZUKCBWDSPDHULZ-ACJLOTCBSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C(C)C)nn1)C[C@@H](C)O2 ZINC001071225112 784780896 /nfs/dbraw/zinc/78/08/96/784780896.db2.gz GCMMSUFTCAUHTD-RHSMWYFYSA-N 1 1 331.420 0.798 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C(C)C)nn1)C[C@@H](C)O2 ZINC001071225112 784780904 /nfs/dbraw/zinc/78/09/04/784780904.db2.gz GCMMSUFTCAUHTD-RHSMWYFYSA-N 1 1 331.420 0.798 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1nonc1C)C[C@H](C)O2 ZINC001071227456 784786644 /nfs/dbraw/zinc/78/66/44/784786644.db2.gz FYCTZNBFMWOIOB-GUYCJALGSA-N 1 1 332.404 0.636 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(OC)cc[nH]c1=O)C[C@@H](C)O2 ZINC001071227943 784787846 /nfs/dbraw/zinc/78/78/46/784787846.db2.gz MODROXMZZXDTJU-FZKQIMNGSA-N 1 1 345.399 0.734 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@H](C)O2 ZINC001071231191 784794919 /nfs/dbraw/zinc/79/49/19/784794919.db2.gz OGDJYJOOUBQDBO-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@H](C)O2 ZINC001071237760 784806129 /nfs/dbraw/zinc/80/61/29/784806129.db2.gz CIQWGNADMFWPEM-KBXCAEBGSA-N 1 1 346.431 0.662 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cncnc1CC)C[C@H](C)O2 ZINC001071241131 784815179 /nfs/dbraw/zinc/81/51/79/784815179.db2.gz PDJOGEUUOXRMJO-KSSFIOAISA-N 1 1 328.416 0.978 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncnc1CC)C[C@H](C)O2 ZINC001071241131 784815191 /nfs/dbraw/zinc/81/51/91/784815191.db2.gz PDJOGEUUOXRMJO-KSSFIOAISA-N 1 1 328.416 0.978 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@H](C)O2 ZINC001071248465 784830845 /nfs/dbraw/zinc/83/08/45/784830845.db2.gz LYKLJJBQENFQKQ-YJBOKZPZSA-N 1 1 345.447 0.463 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@H](C)O2 ZINC001071248602 784832602 /nfs/dbraw/zinc/83/26/02/784832602.db2.gz OIKJPXPVLVDRFS-KBXCAEBGSA-N 1 1 345.447 0.935 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCOC3)C2)C(=O)C1 ZINC001071256913 784857909 /nfs/dbraw/zinc/85/79/09/784857909.db2.gz LOOKYVAINSFUCE-JKSUJKDBSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCOC3)C2)C(=O)C1 ZINC001071256913 784857913 /nfs/dbraw/zinc/85/79/13/784857913.db2.gz LOOKYVAINSFUCE-JKSUJKDBSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)Cc3cc[nH]n3)C2)C(=O)C1 ZINC001071258700 784864333 /nfs/dbraw/zinc/86/43/33/784864333.db2.gz OTJJZRSRTGHUGQ-MRXNPFEDSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)Cc3cc[nH]n3)C2)C(=O)C1 ZINC001071258700 784864341 /nfs/dbraw/zinc/86/43/41/784864341.db2.gz OTJJZRSRTGHUGQ-MRXNPFEDSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cnnn3C)C2)C(=O)C1 ZINC001071264120 784882906 /nfs/dbraw/zinc/88/29/06/784882906.db2.gz OCJLVZLMTLYSEU-CQSZACIVSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cnnn3C)C2)C(=O)C1 ZINC001071264120 784882914 /nfs/dbraw/zinc/88/29/14/784882914.db2.gz OCJLVZLMTLYSEU-CQSZACIVSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C(=O)C1 ZINC001071272158 784906385 /nfs/dbraw/zinc/90/63/85/784906385.db2.gz HKZRXDBRPGTLJM-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccnnc3)C2)C(=O)C1 ZINC001071273955 784910661 /nfs/dbraw/zinc/91/06/61/784910661.db2.gz LHGRVGWDQVAFLA-INIZCTEOSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccnnc3)C2)C(=O)C1 ZINC001071273955 784910667 /nfs/dbraw/zinc/91/06/67/784910667.db2.gz LHGRVGWDQVAFLA-INIZCTEOSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCCN1CCN([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277115 784922796 /nfs/dbraw/zinc/92/27/96/784922796.db2.gz LDCGGKQAWBBOLE-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071340547 784979427 /nfs/dbraw/zinc/97/94/27/784979427.db2.gz QICSMDGFUHXNPG-RYUDHWBXSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071340547 784979433 /nfs/dbraw/zinc/97/94/33/784979433.db2.gz QICSMDGFUHXNPG-RYUDHWBXSA-N 1 1 345.432 0.776 20 30 ECEDMO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068754163 791076661 /nfs/dbraw/zinc/07/66/61/791076661.db2.gz YBKBHRPSBURYQR-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)Cn2ncn3nccc3c2=O)CC[C@H]1C ZINC001071860946 785234305 /nfs/dbraw/zinc/23/43/05/785234305.db2.gz MWECEYRIQQLXQF-ZIAGYGMSSA-N 1 1 344.419 0.436 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)CC[C@@H]1C ZINC001071896314 785289432 /nfs/dbraw/zinc/28/94/32/785289432.db2.gz FRGUGVJYWXXICB-STQMWFEESA-N 1 1 327.388 0.547 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001071918938 785333227 /nfs/dbraw/zinc/33/32/27/785333227.db2.gz UUXJXLXUTHOBJC-WFASDCNBSA-N 1 1 331.420 0.803 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC001071621923 785407212 /nfs/dbraw/zinc/40/72/12/785407212.db2.gz DPBNPJUZRRJIIB-CMPLNLGQSA-N 1 1 327.406 0.696 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC[C@H]1C ZINC001071631570 785420761 /nfs/dbraw/zinc/42/07/61/785420761.db2.gz OIRKZSKMWQGSTP-ZIAGYGMSSA-N 1 1 342.403 0.926 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1C ZINC001071967499 785435391 /nfs/dbraw/zinc/43/53/91/785435391.db2.gz MTGZDEPTAMNLPW-CHWSQXEVSA-N 1 1 334.420 0.309 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC[C@H]1C ZINC001071702310 785556377 /nfs/dbraw/zinc/55/63/77/785556377.db2.gz XMPPRMGBVMGAPF-ZIAGYGMSSA-N 1 1 339.403 0.663 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@@H]1C ZINC001072099053 785667547 /nfs/dbraw/zinc/66/75/47/785667547.db2.gz KPRFGQPYMMBIDE-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001072282837 785968532 /nfs/dbraw/zinc/96/85/32/785968532.db2.gz KJFFPVFEHLDIGE-DOMZBBRYSA-N 1 1 331.420 0.803 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)nn1 ZINC001072287263 785983357 /nfs/dbraw/zinc/98/33/57/785983357.db2.gz URBSBRBXAPVMIQ-UONOGXRCSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001072336787 786042133 /nfs/dbraw/zinc/04/21/33/786042133.db2.gz NRDOOBDNVOSJSG-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CCCO4)C3)C2)C1=O ZINC001072445684 786196189 /nfs/dbraw/zinc/19/61/89/786196189.db2.gz PIAZZOGDAOYQLK-CABCVRRESA-N 1 1 333.432 0.487 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cnn(C)c4)C3)C2)C1=O ZINC001072452220 786205086 /nfs/dbraw/zinc/20/50/86/786205086.db2.gz DWNARHKCLKPUAD-HNNXBMFYSA-N 1 1 343.431 0.355 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072479391 786247955 /nfs/dbraw/zinc/24/79/55/786247955.db2.gz WOTNFJSNHSHLFG-QWHCGFSZSA-N 1 1 326.466 0.548 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001074215724 786450624 /nfs/dbraw/zinc/45/06/24/786450624.db2.gz MMNYHSQHLUFZSB-IAGOWNOFSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001074215724 786450628 /nfs/dbraw/zinc/45/06/28/786450628.db2.gz MMNYHSQHLUFZSB-IAGOWNOFSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 ZINC001074226031 786464278 /nfs/dbraw/zinc/46/42/78/786464278.db2.gz JSSCHTQPDBVZFZ-CVEARBPZSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 ZINC001074226031 786464281 /nfs/dbraw/zinc/46/42/81/786464281.db2.gz JSSCHTQPDBVZFZ-CVEARBPZSA-N 1 1 333.436 0.936 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C[C@@H]21 ZINC001074267093 786548189 /nfs/dbraw/zinc/54/81/89/786548189.db2.gz WRVIQGYNUOAGKC-GJZGRUSLSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C[C@@H]21 ZINC001074267093 786548201 /nfs/dbraw/zinc/54/82/01/786548201.db2.gz WRVIQGYNUOAGKC-GJZGRUSLSA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 ZINC001074285258 786593620 /nfs/dbraw/zinc/59/36/20/786593620.db2.gz XYLUXIZBQNQHPJ-JKSUJKDBSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 ZINC001074285258 786593624 /nfs/dbraw/zinc/59/36/24/786593624.db2.gz XYLUXIZBQNQHPJ-JKSUJKDBSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CCCCC(=O)N1CCN(C2CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001073565337 786621752 /nfs/dbraw/zinc/62/17/52/786621752.db2.gz CGSJLWCTKMSBBN-UHFFFAOYSA-N 1 1 348.491 0.487 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 ZINC001074301553 786630049 /nfs/dbraw/zinc/63/00/49/786630049.db2.gz CKOSYXWTGLJRDP-JKSUJKDBSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 ZINC001074301553 786630058 /nfs/dbraw/zinc/63/00/58/786630058.db2.gz CKOSYXWTGLJRDP-JKSUJKDBSA-N 1 1 346.431 0.662 20 30 ECEDMO C=CCCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001073573845 786652085 /nfs/dbraw/zinc/65/20/85/786652085.db2.gz YGTPFWCWMNZYOS-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073576202 786657884 /nfs/dbraw/zinc/65/78/84/786657884.db2.gz ZNNXNLPQRBEZDW-SWLSCSKDSA-N 1 1 347.419 0.184 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073576202 786657890 /nfs/dbraw/zinc/65/78/90/786657890.db2.gz ZNNXNLPQRBEZDW-SWLSCSKDSA-N 1 1 347.419 0.184 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@@H]21 ZINC001074321455 786669827 /nfs/dbraw/zinc/66/98/27/786669827.db2.gz KIFJIBAIWAQMHB-LSDHHAIUSA-N 1 1 347.415 0.799 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@@H]21 ZINC001074321455 786669832 /nfs/dbraw/zinc/66/98/32/786669832.db2.gz KIFJIBAIWAQMHB-LSDHHAIUSA-N 1 1 347.415 0.799 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001073615586 786774545 /nfs/dbraw/zinc/77/45/45/786774545.db2.gz LTQHFNSMVKRRIG-ZDUSSCGKSA-N 1 1 330.392 0.521 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001073624027 786795750 /nfs/dbraw/zinc/79/57/50/786795750.db2.gz ZURRIPQYMCWEOR-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001073630554 786815252 /nfs/dbraw/zinc/81/52/52/786815252.db2.gz XVVKPTCEZCKJPY-OAHLLOKOSA-N 1 1 331.416 0.931 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001073631619 786820417 /nfs/dbraw/zinc/82/04/17/786820417.db2.gz ROIMZMABFFYDBU-OAHLLOKOSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001073631619 786820428 /nfs/dbraw/zinc/82/04/28/786820428.db2.gz ROIMZMABFFYDBU-OAHLLOKOSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ncccc2NC(C)=O)C1 ZINC001073631846 786820971 /nfs/dbraw/zinc/82/09/71/786820971.db2.gz ULLJYHHKUUCAJB-OAHLLOKOSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001073633860 786828666 /nfs/dbraw/zinc/82/86/66/786828666.db2.gz IIECBKKBRXXPBU-ZWKOTPCHSA-N 1 1 349.475 0.470 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001073636931 786835714 /nfs/dbraw/zinc/83/57/14/786835714.db2.gz KWBDHQNJGUPFGP-WMLDXEAASA-N 1 1 343.427 0.907 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+]([C@H](C)C(=O)NC)CCCO1 ZINC001073637299 786837009 /nfs/dbraw/zinc/83/70/09/786837009.db2.gz VPOBPWHZVYHSRD-CABCVRRESA-N 1 1 348.447 0.629 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+]([C@H](C)C(=O)NC)CCCO1 ZINC001073637299 786837018 /nfs/dbraw/zinc/83/70/18/786837018.db2.gz VPOBPWHZVYHSRD-CABCVRRESA-N 1 1 348.447 0.629 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001073647066 786864436 /nfs/dbraw/zinc/86/44/36/786864436.db2.gz CRUYNYCOCYECQN-CQSZACIVSA-N 1 1 344.415 0.904 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnn2CCOC)C1 ZINC001073652245 786877580 /nfs/dbraw/zinc/87/75/80/786877580.db2.gz ULLAHJZFWYSDAQ-HNNXBMFYSA-N 1 1 334.420 0.374 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001073660389 786900832 /nfs/dbraw/zinc/90/08/32/786900832.db2.gz CQAFMTOJHGUMHH-IAGOWNOFSA-N 1 1 344.459 0.984 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC001073664667 786912384 /nfs/dbraw/zinc/91/23/84/786912384.db2.gz MDJRKAWIQFQQDH-MRXNPFEDSA-N 1 1 329.400 0.630 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001073670377 786925778 /nfs/dbraw/zinc/92/57/78/786925778.db2.gz HHQGGRDBPXJREI-HZPDHXFCSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2sccc2-n2cnnn2)C1 ZINC001073674306 786939372 /nfs/dbraw/zinc/93/93/72/786939372.db2.gz ACZWOJYXHMSYEJ-LBPRGKRZSA-N 1 1 346.416 0.178 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2sccc2-n2cnnn2)C1 ZINC001073674306 786939375 /nfs/dbraw/zinc/93/93/75/786939375.db2.gz ACZWOJYXHMSYEJ-LBPRGKRZSA-N 1 1 346.416 0.178 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn3cccnc3n2)C1 ZINC001073674744 786940254 /nfs/dbraw/zinc/94/02/54/786940254.db2.gz MLFASSKIQXZCOG-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn3cccnc3n2)C1 ZINC001073674744 786940259 /nfs/dbraw/zinc/94/02/59/786940259.db2.gz MLFASSKIQXZCOG-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073677285 786947253 /nfs/dbraw/zinc/94/72/53/786947253.db2.gz CIIARLGSMIEXCZ-CYBMUJFWSA-N 1 1 342.399 0.420 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001073691076 786978068 /nfs/dbraw/zinc/97/80/68/786978068.db2.gz PMDDXVOLFLSLIX-LLVKDONJSA-N 1 1 342.321 0.949 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001073691076 786978070 /nfs/dbraw/zinc/97/80/70/786978070.db2.gz PMDDXVOLFLSLIX-LLVKDONJSA-N 1 1 342.321 0.949 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001073691626 786979026 /nfs/dbraw/zinc/97/90/26/786979026.db2.gz XHUWTHORXCNXTF-HNNXBMFYSA-N 1 1 334.420 0.374 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001073691626 786979032 /nfs/dbraw/zinc/97/90/32/786979032.db2.gz XHUWTHORXCNXTF-HNNXBMFYSA-N 1 1 334.420 0.374 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001073713331 787031133 /nfs/dbraw/zinc/03/11/33/787031133.db2.gz YSOLDHQAAGCPPX-ZWKOTPCHSA-N 1 1 349.475 0.328 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001073713331 787031147 /nfs/dbraw/zinc/03/11/47/787031147.db2.gz YSOLDHQAAGCPPX-ZWKOTPCHSA-N 1 1 349.475 0.328 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001073726456 787067306 /nfs/dbraw/zinc/06/73/06/787067306.db2.gz MPDFSMIXBIHQNE-HNNXBMFYSA-N 1 1 344.419 0.911 20 30 ECEDMO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073740020 787091146 /nfs/dbraw/zinc/09/11/46/787091146.db2.gz AVSMTYGWBZITPJ-JKSUJKDBSA-N 1 1 325.453 0.489 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001073740020 787091153 /nfs/dbraw/zinc/09/11/53/787091153.db2.gz AVSMTYGWBZITPJ-JKSUJKDBSA-N 1 1 325.453 0.489 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001073741973 787098947 /nfs/dbraw/zinc/09/89/47/787098947.db2.gz ZLRCXWYULRFCSL-WBVHZDCISA-N 1 1 344.459 0.755 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001073743294 787101695 /nfs/dbraw/zinc/10/16/95/787101695.db2.gz RXRZLWCOLJDTLG-HNNXBMFYSA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001073743294 787101704 /nfs/dbraw/zinc/10/17/04/787101704.db2.gz RXRZLWCOLJDTLG-HNNXBMFYSA-N 1 1 343.418 0.804 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001073745113 787108029 /nfs/dbraw/zinc/10/80/29/787108029.db2.gz VDZSUFFYHLWUQP-JSGCOSHPSA-N 1 1 349.460 0.802 20 30 ECEDMO C=CCOCC(=O)N1CCC(O)(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001074515727 787145276 /nfs/dbraw/zinc/14/52/76/787145276.db2.gz LXVKFKBDGWPRFG-UHFFFAOYSA-N 1 1 341.452 0.001 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001073762504 787151087 /nfs/dbraw/zinc/15/10/87/787151087.db2.gz DNCODTUSKIJVDO-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001073762504 787151092 /nfs/dbraw/zinc/15/10/92/787151092.db2.gz DNCODTUSKIJVDO-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nccn3ccnc23)C1 ZINC001073774728 787180427 /nfs/dbraw/zinc/18/04/27/787180427.db2.gz JILBHRVMKNWWCJ-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001073794978 787215227 /nfs/dbraw/zinc/21/52/27/787215227.db2.gz XGNWXUZHVTYMRE-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073796445 787219901 /nfs/dbraw/zinc/21/99/01/787219901.db2.gz MYFGFWGTRKQQAS-CABCVRRESA-N 1 1 344.477 0.594 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073796445 787219907 /nfs/dbraw/zinc/21/99/07/787219907.db2.gz MYFGFWGTRKQQAS-CABCVRRESA-N 1 1 344.477 0.594 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001073804168 787233138 /nfs/dbraw/zinc/23/31/38/787233138.db2.gz FUBVZEGVLIYWIN-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001073815512 787250288 /nfs/dbraw/zinc/25/02/88/787250288.db2.gz CRGIZCLMLATEIC-CQSZACIVSA-N 1 1 342.403 0.669 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001073823806 787273979 /nfs/dbraw/zinc/27/39/79/787273979.db2.gz KMPXTGZNXCDEPA-CYBMUJFWSA-N 1 1 330.392 0.521 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074581285 787317313 /nfs/dbraw/zinc/31/73/13/787317313.db2.gz QOVSCANDPPGFHH-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C)c1nncn1C ZINC001074589102 787338767 /nfs/dbraw/zinc/33/87/67/787338767.db2.gz MOJKEOKDEJBFPX-MDZLAQPJSA-N 1 1 327.392 0.969 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001073847804 787346156 /nfs/dbraw/zinc/34/61/56/787346156.db2.gz KDPJAHIRGDQJIA-LSDHHAIUSA-N 1 1 349.435 0.636 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001073847931 787347247 /nfs/dbraw/zinc/34/72/47/787347247.db2.gz NUROWBFCWLRWEH-CABCVRRESA-N 1 1 349.431 0.848 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001073848396 787349958 /nfs/dbraw/zinc/34/99/58/787349958.db2.gz VKXPOJNPMKGZAH-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001073859957 787382358 /nfs/dbraw/zinc/38/23/58/787382358.db2.gz XTFMZIWJMHVFSP-ZIAGYGMSSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001073859957 787382371 /nfs/dbraw/zinc/38/23/71/787382371.db2.gz XTFMZIWJMHVFSP-ZIAGYGMSSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001073859957 787382380 /nfs/dbraw/zinc/38/23/80/787382380.db2.gz XTFMZIWJMHVFSP-ZIAGYGMSSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001073859957 787382385 /nfs/dbraw/zinc/38/23/85/787382385.db2.gz XTFMZIWJMHVFSP-ZIAGYGMSSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001073859957 787382395 /nfs/dbraw/zinc/38/23/95/787382395.db2.gz XTFMZIWJMHVFSP-ZIAGYGMSSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 ZINC001073862069 787389298 /nfs/dbraw/zinc/38/92/98/787389298.db2.gz LYRTVKIJVDHHGZ-AWEZNQCLSA-N 1 1 333.436 0.939 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001073862481 787391539 /nfs/dbraw/zinc/39/15/39/787391539.db2.gz SISZLVXORMZKCN-CQSZACIVSA-N 1 1 335.379 0.884 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001073862481 787391542 /nfs/dbraw/zinc/39/15/42/787391542.db2.gz SISZLVXORMZKCN-CQSZACIVSA-N 1 1 335.379 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)OC)CCCO2)nc1 ZINC001073863505 787394608 /nfs/dbraw/zinc/39/46/08/787394608.db2.gz SKFHSKWNRUIPGB-GOEBONIOSA-N 1 1 331.416 0.919 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)CCCO2)cn1 ZINC001073865282 787399471 /nfs/dbraw/zinc/39/94/71/787399471.db2.gz DYXIYSPNTRWRCK-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)CCCO2)cn1 ZINC001073865282 787399479 /nfs/dbraw/zinc/39/94/79/787399479.db2.gz DYXIYSPNTRWRCK-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001073890851 787449594 /nfs/dbraw/zinc/44/95/94/787449594.db2.gz IWYPFEBXMKCAHG-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001073895761 787462907 /nfs/dbraw/zinc/46/29/07/787462907.db2.gz AYDOVGIUBALODT-IAGOWNOFSA-N 1 1 339.480 0.880 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001073899089 787474196 /nfs/dbraw/zinc/47/41/96/787474196.db2.gz KXWZKVVXEALLSP-QGZVFWFLSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)C2CCN(C(=O)CCC)CC2)C1 ZINC001073899089 787474198 /nfs/dbraw/zinc/47/41/98/787474198.db2.gz KXWZKVVXEALLSP-QGZVFWFLSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001073899483 787474573 /nfs/dbraw/zinc/47/45/73/787474573.db2.gz VHRJOWPBFWJNTA-GJZGRUSLSA-N 1 1 333.436 0.542 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001073901673 787483633 /nfs/dbraw/zinc/48/36/33/787483633.db2.gz AWRKSPRVGCIZGH-LSDHHAIUSA-N 1 1 333.436 0.624 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 ZINC001074656244 787519950 /nfs/dbraw/zinc/51/99/50/787519950.db2.gz DANDOIUCSFMVKB-AWEZNQCLSA-N 1 1 338.452 0.348 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3nnn(C)c32)C1 ZINC001073914892 787520276 /nfs/dbraw/zinc/52/02/76/787520276.db2.gz IFQIOKUANGUGLL-CQSZACIVSA-N 1 1 341.415 0.812 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001074657103 787523432 /nfs/dbraw/zinc/52/34/32/787523432.db2.gz VDGSNRNTCLMLFO-CRWXNKLISA-N 1 1 334.424 0.270 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001073918511 787524741 /nfs/dbraw/zinc/52/47/41/787524741.db2.gz JAVQCPLGOFEKEL-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCOCC(=O)NCC1(O)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001074728257 787709011 /nfs/dbraw/zinc/70/90/11/787709011.db2.gz BWWVPIZZFJJGJY-UHFFFAOYSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001074731409 787722176 /nfs/dbraw/zinc/72/21/76/787722176.db2.gz QBVSKQCDUIWJAM-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CC[N@@H+](CCN2CCNC2=O)C3)c1 ZINC001072595292 788391381 /nfs/dbraw/zinc/39/13/81/788391381.db2.gz LSVJQIMGLJTXGD-UHFFFAOYSA-N 1 1 342.403 0.059 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072635857 788476058 /nfs/dbraw/zinc/47/60/58/788476058.db2.gz YAPXCWHTNSABLR-LBPRGKRZSA-N 1 1 341.415 0.701 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001072721604 788647957 /nfs/dbraw/zinc/64/79/57/788647957.db2.gz ZOIYGGGKLUOECC-HNNXBMFYSA-N 1 1 336.457 0.369 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001072721604 788647959 /nfs/dbraw/zinc/64/79/59/788647959.db2.gz ZOIYGGGKLUOECC-HNNXBMFYSA-N 1 1 336.457 0.369 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001072736122 788671513 /nfs/dbraw/zinc/67/15/13/788671513.db2.gz BYJSQBSNBMNRST-DOMZBBRYSA-N 1 1 331.420 0.805 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001075066329 788840463 /nfs/dbraw/zinc/84/04/63/788840463.db2.gz BDYVPUJBCLLFOR-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)CSCC#N)[C@@H](C)C1 ZINC001075069616 788846691 /nfs/dbraw/zinc/84/66/91/788846691.db2.gz MPNCSAHMCPUTBU-JSGCOSHPSA-N 1 1 349.460 0.944 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 ZINC001072829686 788907944 /nfs/dbraw/zinc/90/79/44/788907944.db2.gz CWAKZMSQNLKLIN-UHFFFAOYSA-N 1 1 325.368 0.799 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072929957 789128760 /nfs/dbraw/zinc/12/87/60/789128760.db2.gz YZCNFEDYFJTDNE-OAHLLOKOSA-N 1 1 339.399 0.274 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072929957 789128767 /nfs/dbraw/zinc/12/87/67/789128767.db2.gz YZCNFEDYFJTDNE-OAHLLOKOSA-N 1 1 339.399 0.274 20 30 ECEDMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC001072934804 789134667 /nfs/dbraw/zinc/13/46/67/789134667.db2.gz VQYYSBKTBCJQQZ-UHFFFAOYSA-N 1 1 331.803 0.711 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC001072978213 789202051 /nfs/dbraw/zinc/20/20/51/789202051.db2.gz IUIUPDAHAWCEEQ-LSDHHAIUSA-N 1 1 335.448 0.733 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC001073000713 789257054 /nfs/dbraw/zinc/25/70/54/789257054.db2.gz DDLLDUUWIBCZRE-UHFFFAOYSA-N 1 1 328.416 0.522 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001073025363 789295069 /nfs/dbraw/zinc/29/50/69/789295069.db2.gz LFPRVSTWMXBSPU-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001073027675 789300993 /nfs/dbraw/zinc/30/09/93/789300993.db2.gz PICMAVCVURPMJE-UHFFFAOYSA-N 1 1 337.464 0.865 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CC[N@@H+](CCn2cccn2)C3)nn1 ZINC001073042849 789333919 /nfs/dbraw/zinc/33/39/19/789333919.db2.gz JNMMAWBBZSSJKX-UHFFFAOYSA-N 1 1 341.419 0.509 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001073053849 789354391 /nfs/dbraw/zinc/35/43/91/789354391.db2.gz XOHHXHUCDLHZJQ-GFCCVEGCSA-N 1 1 347.868 0.307 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001073053849 789354400 /nfs/dbraw/zinc/35/44/00/789354400.db2.gz XOHHXHUCDLHZJQ-GFCCVEGCSA-N 1 1 347.868 0.307 20 30 ECEDMO C[C@@H](CCNC(=O)CSCC#N)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001075675646 789639363 /nfs/dbraw/zinc/63/93/63/789639363.db2.gz ICTORTHATPGISO-QWHCGFSZSA-N 1 1 326.466 0.596 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2N(c2cncc(C#N)n2)CC3)C1 ZINC001069265560 789716461 /nfs/dbraw/zinc/71/64/61/789716461.db2.gz CIOXWKNLRJRZHA-JOQOYGCGSA-N 1 1 340.431 0.918 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@@H]2N(c2ccnc(C#N)n2)CC3)C1 ZINC001069266311 789717669 /nfs/dbraw/zinc/71/76/69/789717669.db2.gz KCVCJVPYTRJTCE-SUNYJGFJSA-N 1 1 340.431 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H](C)OC)C(C)(C)C1 ZINC001073332128 789740103 /nfs/dbraw/zinc/74/01/03/789740103.db2.gz VYXCUCOLPVMFLY-PMPSAXMXSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H](C)OC)C(C)(C)C1 ZINC001073332128 789740108 /nfs/dbraw/zinc/74/01/08/789740108.db2.gz VYXCUCOLPVMFLY-PMPSAXMXSA-N 1 1 349.475 0.862 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC001073412404 789803547 /nfs/dbraw/zinc/80/35/47/789803547.db2.gz OPETWUBYBCRMMY-UHFFFAOYSA-N 1 1 340.811 0.167 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC001073412404 789803553 /nfs/dbraw/zinc/80/35/53/789803553.db2.gz OPETWUBYBCRMMY-UHFFFAOYSA-N 1 1 340.811 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)COCC)CC1(C)C ZINC001073418795 789812265 /nfs/dbraw/zinc/81/22/65/789812265.db2.gz IPOJKWBEJFZWSP-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)COCC)CC1(C)C ZINC001073418795 789812269 /nfs/dbraw/zinc/81/22/69/789812269.db2.gz IPOJKWBEJFZWSP-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069616023 789933858 /nfs/dbraw/zinc/93/38/58/789933858.db2.gz DVCMNEZWZHIZJS-KGLIPLIRSA-N 1 1 342.447 0.903 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 ZINC001069815165 790049698 /nfs/dbraw/zinc/04/96/98/790049698.db2.gz XEFOVGUGEFMZER-CQSZACIVSA-N 1 1 326.404 0.695 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2=CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001069815447 790050398 /nfs/dbraw/zinc/05/03/98/790050398.db2.gz JZQWHRFNBGMPPQ-INIZCTEOSA-N 1 1 341.415 0.537 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2=CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001069815447 790050404 /nfs/dbraw/zinc/05/04/04/790050404.db2.gz JZQWHRFNBGMPPQ-INIZCTEOSA-N 1 1 341.415 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2ncccn2)CC1 ZINC001069834262 790066291 /nfs/dbraw/zinc/06/62/91/790066291.db2.gz KFDIOBVTOJBALA-INIZCTEOSA-N 1 1 325.416 0.827 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(c2ncccn2)CC1 ZINC001069834262 790066296 /nfs/dbraw/zinc/06/62/96/790066296.db2.gz KFDIOBVTOJBALA-INIZCTEOSA-N 1 1 325.416 0.827 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)c2C1 ZINC001069882884 790148581 /nfs/dbraw/zinc/14/85/81/790148581.db2.gz GJHHWQYFAGWONQ-KRWDZBQOSA-N 1 1 345.447 0.059 20 30 ECEDMO C#CCCN1CCn2ncc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)c2C1 ZINC001069882884 790148583 /nfs/dbraw/zinc/14/85/83/790148583.db2.gz GJHHWQYFAGWONQ-KRWDZBQOSA-N 1 1 345.447 0.059 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](n2ccnn2)C1 ZINC001069899148 790166981 /nfs/dbraw/zinc/16/69/81/790166981.db2.gz RRZQMGFAHIZZRJ-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](n2ccnn2)C1 ZINC001069899148 790166985 /nfs/dbraw/zinc/16/69/85/790166985.db2.gz RRZQMGFAHIZZRJ-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001069910698 790179564 /nfs/dbraw/zinc/17/95/64/790179564.db2.gz GEBADOKDHOWBCL-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001069910698 790179565 /nfs/dbraw/zinc/17/95/65/790179565.db2.gz GEBADOKDHOWBCL-CABCVRRESA-N 1 1 325.376 0.055 20 30 ECEDMO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069911267 790180150 /nfs/dbraw/zinc/18/01/50/790180150.db2.gz GMICRLJJCIRXJO-DFBGVHRSSA-N 1 1 343.391 0.168 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@@H](n2ccnn2)C1 ZINC001069915244 790184635 /nfs/dbraw/zinc/18/46/35/790184635.db2.gz UBGPSTPROJOTMR-HIFRSBDPSA-N 1 1 329.408 0.726 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069916072 790186064 /nfs/dbraw/zinc/18/60/64/790186064.db2.gz BUCZTDFLWSYJDU-CVEARBPZSA-N 1 1 341.419 0.998 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069927147 790198276 /nfs/dbraw/zinc/19/82/76/790198276.db2.gz LQKJUWZSAURIRQ-KFWWJZLASA-N 1 1 341.419 0.649 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069927147 790198279 /nfs/dbraw/zinc/19/82/79/790198279.db2.gz LQKJUWZSAURIRQ-KFWWJZLASA-N 1 1 341.419 0.649 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(OC)ncn2)[C@@H](n2ccnn2)C1 ZINC001069929146 790201256 /nfs/dbraw/zinc/20/12/56/790201256.db2.gz XMRYDADHVFWUKD-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ncn2)[C@@H](n2ccnn2)C1 ZINC001069929146 790201259 /nfs/dbraw/zinc/20/12/59/790201259.db2.gz XMRYDADHVFWUKD-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069942205 790218616 /nfs/dbraw/zinc/21/86/16/790218616.db2.gz RFEZMCRMJHTAMN-KGLIPLIRSA-N 1 1 337.399 0.714 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](n2ccnn2)C1 ZINC001069946132 790224340 /nfs/dbraw/zinc/22/43/40/790224340.db2.gz LBAPVDHUPMPDAV-KGLIPLIRSA-N 1 1 343.391 0.098 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn3ccncc23)[C@@H](n2ccnn2)C1 ZINC001069946480 790225271 /nfs/dbraw/zinc/22/52/71/790225271.db2.gz STMYAJCFEQICBG-HIFRSBDPSA-N 1 1 338.375 0.162 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn3ccncc23)[C@@H](n2ccnn2)C1 ZINC001069946480 790225275 /nfs/dbraw/zinc/22/52/75/790225275.db2.gz STMYAJCFEQICBG-HIFRSBDPSA-N 1 1 338.375 0.162 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068839737 791236755 /nfs/dbraw/zinc/23/67/55/791236755.db2.gz SHXZYBHSEBGKRH-OWCLPIDISA-N 1 1 347.459 0.616 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2 ZINC001068860261 791284929 /nfs/dbraw/zinc/28/49/29/791284929.db2.gz HFIYISYJJPIGRT-INIZCTEOSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068935079 791453494 /nfs/dbraw/zinc/45/34/94/791453494.db2.gz LHTLPMIHGCIRQZ-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069118768 791719521 /nfs/dbraw/zinc/71/95/21/791719521.db2.gz JGCRFOAGKMBJJB-KBPBESRZSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2ccc(C)nn2)C1 ZINC001066691004 792001907 /nfs/dbraw/zinc/00/19/07/792001907.db2.gz ZWKCKNJDDPWDDL-CVEARBPZSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2ccc(C)nn2)C1 ZINC001066691004 792001917 /nfs/dbraw/zinc/00/19/17/792001917.db2.gz ZWKCKNJDDPWDDL-CVEARBPZSA-N 1 1 343.431 0.522 20 30 ECEDMO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(C(=O)C4CCC4)C3)CC2)nn1 ZINC001066694991 792010005 /nfs/dbraw/zinc/01/00/05/792010005.db2.gz XQWULERZYDLOOD-MRXNPFEDSA-N 1 1 340.431 0.871 20 30 ECEDMO CCCC(=O)N1CC[C@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066698680 792020842 /nfs/dbraw/zinc/02/08/42/792020842.db2.gz NJENDFIKNKBTCA-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066736144 792069574 /nfs/dbraw/zinc/06/95/74/792069574.db2.gz GGNZZMYGEAHLTQ-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066736144 792069579 /nfs/dbraw/zinc/06/95/79/792069579.db2.gz GGNZZMYGEAHLTQ-HIFRSBDPSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(Nc3ccc(C#N)nn3)C2)C1 ZINC001066906483 792342720 /nfs/dbraw/zinc/34/27/20/792342720.db2.gz VAALNGAFYQUZQB-DYVFJYSZSA-N 1 1 344.419 0.065 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(Nc3ccc(C#N)nc3)C2)C1 ZINC001066906714 792343528 /nfs/dbraw/zinc/34/35/28/792343528.db2.gz ZTLAHVIWIGWOME-RDTXWAMCSA-N 1 1 343.431 0.670 20 30 ECEDMO Cc1cc(NCC2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001067838461 792350601 /nfs/dbraw/zinc/35/06/01/792350601.db2.gz ISJQCAQBHXPCMC-PGEKIEPBSA-N 1 1 343.431 0.321 20 30 ECEDMO Cc1cc(NCC2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001067838461 792350614 /nfs/dbraw/zinc/35/06/14/792350614.db2.gz ISJQCAQBHXPCMC-PGEKIEPBSA-N 1 1 343.431 0.321 20 30 ECEDMO C=CCCC(=O)N(C)CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001066985283 792514702 /nfs/dbraw/zinc/51/47/02/792514702.db2.gz HGDYEJJJMAFTNH-UHFFFAOYSA-N 1 1 325.453 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCOC1 ZINC001066992085 792524516 /nfs/dbraw/zinc/52/45/16/792524516.db2.gz CESNNHILDDGULW-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCOC1 ZINC001066992085 792524526 /nfs/dbraw/zinc/52/45/26/792524526.db2.gz CESNNHILDDGULW-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)[C@@H](C)C1 ZINC001067166987 792770271 /nfs/dbraw/zinc/77/02/71/792770271.db2.gz PSKIZPCMLWJBJT-AAEUAGOBSA-N 1 1 325.376 0.234 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001068208575 792830674 /nfs/dbraw/zinc/83/06/74/792830674.db2.gz NZFLVLVUSIQHQX-LVQVYYBASA-N 1 1 340.431 0.631 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001068345193 793090874 /nfs/dbraw/zinc/09/08/74/793090874.db2.gz ZFJYZTWZFSLDKB-UHFFFAOYSA-N 1 1 335.448 0.877 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1C ZINC001067420469 793129185 /nfs/dbraw/zinc/12/91/85/793129185.db2.gz JNQVGVJYZUDHTA-WFASDCNBSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001067427512 793140713 /nfs/dbraw/zinc/14/07/13/793140713.db2.gz JPNFKPAJZHCDSS-HNNXBMFYSA-N 1 1 348.447 0.935 20 30 ECEDMO C[C@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001068380382 793157657 /nfs/dbraw/zinc/15/76/57/793157657.db2.gz GMSQVUYVHNEFQQ-KBPBESRZSA-N 1 1 342.447 0.903 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001068398702 793214572 /nfs/dbraw/zinc/21/45/72/793214572.db2.gz BARDPGXSXLCTRI-HNNXBMFYSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001068420347 793278656 /nfs/dbraw/zinc/27/86/56/793278656.db2.gz MXFFNHXKMCQSMS-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO CC(C)S(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1ccccc1C#N ZINC001267470262 837485583 /nfs/dbraw/zinc/48/55/83/837485583.db2.gz IKCSJBXAAXBWGT-UHFFFAOYSA-N 1 1 337.445 0.929 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)CCc2ccco2)C1 ZINC001267501124 837576146 /nfs/dbraw/zinc/57/61/46/837576146.db2.gz KITCKTXIYJJVFW-OAHLLOKOSA-N 1 1 331.416 0.790 20 30 ECEDMO C=C(C)C[N@H+](CCCNC(=O)CN1CCCS1(=O)=O)C(C)C ZINC001267503076 837580751 /nfs/dbraw/zinc/58/07/51/837580751.db2.gz OKDQSPOOUWEIRN-UHFFFAOYSA-N 1 1 331.482 0.815 20 30 ECEDMO COCC#CC[N@@H+](CCCNC(=O)C[C@H]1CCC(=O)NC1)C(C)C ZINC001267503096 837581254 /nfs/dbraw/zinc/58/12/54/837581254.db2.gz OUVYYXQZILOIPA-MRXNPFEDSA-N 1 1 337.464 0.769 20 30 ECEDMO CC#CC[N@@H+](CCCNC(=O)[C@H]1CCc2nnnn2CC1)C(C)C ZINC001267508328 837595142 /nfs/dbraw/zinc/59/51/42/837595142.db2.gz AAXIHMVRTJWXDN-HNNXBMFYSA-N 1 1 332.452 0.866 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)c1cnco1)c1ccccc1 ZINC001267519984 837670294 /nfs/dbraw/zinc/67/02/94/837670294.db2.gz NXRSVMRPZXKVSV-UKRRQHHQSA-N 1 1 340.383 0.873 20 30 ECEDMO CCCN(C(=O)c1nccnc1N)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267537536 837717691 /nfs/dbraw/zinc/71/76/91/837717691.db2.gz JNEKXRJXWMDLMC-AWEZNQCLSA-N 1 1 331.420 0.635 20 30 ECEDMO CCCN(C(=O)c1nccnc1N)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267537536 837717696 /nfs/dbraw/zinc/71/76/96/837717696.db2.gz JNEKXRJXWMDLMC-AWEZNQCLSA-N 1 1 331.420 0.635 20 30 ECEDMO CCCN(C(=O)CNC(=O)C1CC1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267537627 837717794 /nfs/dbraw/zinc/71/77/94/837717794.db2.gz KHKKWVIVSKQETI-INIZCTEOSA-N 1 1 335.448 0.475 20 30 ECEDMO CCCN(C(=O)CNC(=O)C1CC1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267537627 837717801 /nfs/dbraw/zinc/71/78/01/837717801.db2.gz KHKKWVIVSKQETI-INIZCTEOSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001267544693 837733417 /nfs/dbraw/zinc/73/34/17/837733417.db2.gz MLOPRWZKVJYOJN-NSHDSACASA-N 1 1 327.406 0.555 20 30 ECEDMO C#Cc1cncc(C(=O)N(CCC)[C@H]2CC[N@@H+](C[C@H](O)COC)C2)c1 ZINC001267546673 837739766 /nfs/dbraw/zinc/73/97/66/837739766.db2.gz RTQHVOCYMNEWBT-ROUUACIJSA-N 1 1 345.443 0.997 20 30 ECEDMO C#Cc1cncc(C(=O)N(CCC)[C@@H]2CC[N@@H+](C[C@H](O)COC)C2)c1 ZINC001267546667 837740292 /nfs/dbraw/zinc/74/02/92/837740292.db2.gz RTQHVOCYMNEWBT-MSOLQXFVSA-N 1 1 345.443 0.997 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267547778 837742954 /nfs/dbraw/zinc/74/29/54/837742954.db2.gz RANDGAWMSXTKOR-CABCVRRESA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)Cc2ncc[nH]2)C1 ZINC001267547778 837742962 /nfs/dbraw/zinc/74/29/62/837742962.db2.gz RANDGAWMSXTKOR-CABCVRRESA-N 1 1 345.447 0.403 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2[nH]nnc2C)C1 ZINC001267551862 837752926 /nfs/dbraw/zinc/75/29/26/837752926.db2.gz HXZIXMYGALKUND-OLZOCXBDSA-N 1 1 334.424 0.246 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cnnc(C)c2)C1 ZINC001267554734 837760058 /nfs/dbraw/zinc/76/00/58/837760058.db2.gz BLOSTXXVYZXGCV-CABCVRRESA-N 1 1 343.431 0.365 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CC[N@H+](Cc2nnc3n2CCOC3)C1 ZINC001267556126 837763059 /nfs/dbraw/zinc/76/30/59/837763059.db2.gz MXWQSBGXFRFCSH-OAHLLOKOSA-N 1 1 345.447 0.940 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CC[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC001267556126 837763069 /nfs/dbraw/zinc/76/30/69/837763069.db2.gz MXWQSBGXFRFCSH-OAHLLOKOSA-N 1 1 345.447 0.940 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)CCc2ccncn2)C1 ZINC001267559174 837767588 /nfs/dbraw/zinc/76/75/88/837767588.db2.gz PDECXPGEANAZET-INIZCTEOSA-N 1 1 330.432 0.887 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001267566789 837785771 /nfs/dbraw/zinc/78/57/71/837785771.db2.gz HJRPOBNMVUFKBW-GOEBONIOSA-N 1 1 341.477 0.310 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H]2CC[N@H+](Cc3nccn3C)C2)nn1 ZINC001267567108 837786245 /nfs/dbraw/zinc/78/62/45/837786245.db2.gz LHRCJDREWTVNMQ-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CCNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001267569670 837798507 /nfs/dbraw/zinc/79/85/07/837798507.db2.gz YZEPSARCFWNWKD-GJZGRUSLSA-N 1 1 331.420 0.390 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](CCCNC(=O)c2ccncc2)CC1 ZINC001266256677 835562232 /nfs/dbraw/zinc/56/22/32/835562232.db2.gz DZMKRSVUWVRWCP-UHFFFAOYSA-N 1 1 345.447 0.121 20 30 ECEDMO CN(C)c1cc(C(=O)NCCC[NH+]2CCN(CC#N)CC2)ccn1 ZINC001266274039 835596835 /nfs/dbraw/zinc/59/68/35/835596835.db2.gz XPLQKILLJIJKSI-UHFFFAOYSA-N 1 1 330.436 0.409 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCCC[NH+]1CCN(C[C@H](C)O)CC1 ZINC001266277695 835602884 /nfs/dbraw/zinc/60/28/84/835602884.db2.gz MQYDTUUNQNHHTO-KRWDZBQOSA-N 1 1 343.471 0.715 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC001266285828 835621407 /nfs/dbraw/zinc/62/14/07/835621407.db2.gz OOYMLXQNLLPPAQ-KRWDZBQOSA-N 1 1 348.491 0.248 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001266285949 835621921 /nfs/dbraw/zinc/62/19/21/835621921.db2.gz SSNDLMFWFRQIRE-DLBZAZTESA-N 1 1 337.464 0.185 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2cncc3[nH]ccc32)CC1 ZINC001266287926 835630178 /nfs/dbraw/zinc/63/01/78/835630178.db2.gz KZMPCRQSVQIXJJ-UHFFFAOYSA-N 1 1 325.416 0.934 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2(COC)CCCCC2)C1 ZINC001266322946 835697881 /nfs/dbraw/zinc/69/78/81/835697881.db2.gz QPKHIUYYTJMMBB-CVEARBPZSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2(COC)CCCCC2)C1 ZINC001266322946 835697887 /nfs/dbraw/zinc/69/78/87/835697887.db2.gz QPKHIUYYTJMMBB-CVEARBPZSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NC(C)(C)CC)C1 ZINC001266324842 835700679 /nfs/dbraw/zinc/70/06/79/835700679.db2.gz FAIONUAMRNJDRE-HOTGVXAUSA-N 1 1 348.491 0.579 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NC(C)(C)CC)C1 ZINC001266324842 835700686 /nfs/dbraw/zinc/70/06/86/835700686.db2.gz FAIONUAMRNJDRE-HOTGVXAUSA-N 1 1 348.491 0.579 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)COc2cc(C)on2)C1 ZINC001266324900 835700933 /nfs/dbraw/zinc/70/09/33/835700933.db2.gz GBWIAEWSJLAZLN-STQMWFEESA-N 1 1 336.392 0.243 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)COc2cc(C)on2)C1 ZINC001266324900 835700941 /nfs/dbraw/zinc/70/09/41/835700941.db2.gz GBWIAEWSJLAZLN-STQMWFEESA-N 1 1 336.392 0.243 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOCC(F)F)C1 ZINC001266324853 835700962 /nfs/dbraw/zinc/70/09/62/835700962.db2.gz FGYZDGFZZDRURH-KBPBESRZSA-N 1 1 329.391 0.556 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOCC(F)F)C1 ZINC001266324853 835700975 /nfs/dbraw/zinc/70/09/75/835700975.db2.gz FGYZDGFZZDRURH-KBPBESRZSA-N 1 1 329.391 0.556 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001266333655 835716325 /nfs/dbraw/zinc/71/63/25/835716325.db2.gz RMXNVTKCUVSHQZ-DGCLKSJQSA-N 1 1 344.423 0.853 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001266344090 835731987 /nfs/dbraw/zinc/73/19/87/835731987.db2.gz CPCXWNMRDLTCRQ-NVXWUHKLSA-N 1 1 345.447 0.946 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001266344090 835731997 /nfs/dbraw/zinc/73/19/97/835731997.db2.gz CPCXWNMRDLTCRQ-NVXWUHKLSA-N 1 1 345.447 0.946 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001266347657 835740317 /nfs/dbraw/zinc/74/03/17/835740317.db2.gz QPOZKDWJLICYEK-AWEZNQCLSA-N 1 1 331.420 0.723 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001266347657 835740322 /nfs/dbraw/zinc/74/03/22/835740322.db2.gz QPOZKDWJLICYEK-AWEZNQCLSA-N 1 1 331.420 0.723 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001266359340 835768214 /nfs/dbraw/zinc/76/82/14/835768214.db2.gz SZTJTGBRNZFQFS-LSDHHAIUSA-N 1 1 330.432 0.584 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001266359340 835768216 /nfs/dbraw/zinc/76/82/16/835768216.db2.gz SZTJTGBRNZFQFS-LSDHHAIUSA-N 1 1 330.432 0.584 20 30 ECEDMO CC(C)OCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC#N ZINC001279214248 835787298 /nfs/dbraw/zinc/78/72/98/835787298.db2.gz WEYJBLUKRVWZAX-QDMKHBRRSA-N 1 1 336.436 0.410 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C2(CCF)CC2)CC1 ZINC001266374398 835787382 /nfs/dbraw/zinc/78/73/82/835787382.db2.gz YAHVAEATAUYETC-ZDUSSCGKSA-N 1 1 336.411 0.737 20 30 ECEDMO C#CCNC(=O)CN1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001266374089 835787426 /nfs/dbraw/zinc/78/74/26/835787426.db2.gz RMZGNFRHIDXCBK-RDJZCZTQSA-N 1 1 348.491 0.293 20 30 ECEDMO C#CCCCC(=O)NCC[N@@H+](CC)[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001266388243 835797012 /nfs/dbraw/zinc/79/70/12/835797012.db2.gz WLKFXKJVHAQNMS-OAHLLOKOSA-N 1 1 345.447 0.767 20 30 ECEDMO C#CCCCC(=O)NCC[N@H+](CC)[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001266388243 835797019 /nfs/dbraw/zinc/79/70/19/835797019.db2.gz WLKFXKJVHAQNMS-OAHLLOKOSA-N 1 1 345.447 0.767 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cc(CC)nnc1C ZINC001266405783 835812346 /nfs/dbraw/zinc/81/23/46/835812346.db2.gz GKMVBBJJFOFMQN-CQSZACIVSA-N 1 1 345.447 0.537 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cc(CC)nnc1C ZINC001266405783 835812353 /nfs/dbraw/zinc/81/23/53/835812353.db2.gz GKMVBBJJFOFMQN-CQSZACIVSA-N 1 1 345.447 0.537 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](CC)CCN1C(=O)CCC1=O ZINC001266417918 835822155 /nfs/dbraw/zinc/82/21/55/835822155.db2.gz MBOPNHQGBNEYAA-KGLIPLIRSA-N 1 1 337.420 0.165 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cnc(C)nc1C(C)C ZINC001266420062 835824781 /nfs/dbraw/zinc/82/47/81/835824781.db2.gz DYDAPJJMUXEGKD-UHFFFAOYSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cnc(C)nc1C(C)C ZINC001266420062 835824790 /nfs/dbraw/zinc/82/47/90/835824790.db2.gz DYDAPJJMUXEGKD-UHFFFAOYSA-N 1 1 345.447 0.710 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cc(C)nc2c1cnn2C ZINC001266425653 835828912 /nfs/dbraw/zinc/82/89/12/835828912.db2.gz XWDBFERUWMDOJZ-UHFFFAOYSA-N 1 1 343.431 0.978 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1ccc2nccnc2c1 ZINC001266434648 835838696 /nfs/dbraw/zinc/83/86/96/835838696.db2.gz IUPGTWIUCZQEDS-UHFFFAOYSA-N 1 1 339.399 0.431 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ccc2nccnc2c1 ZINC001266434648 835838700 /nfs/dbraw/zinc/83/87/00/835838700.db2.gz IUPGTWIUCZQEDS-UHFFFAOYSA-N 1 1 339.399 0.431 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 ZINC001266452926 835856950 /nfs/dbraw/zinc/85/69/50/835856950.db2.gz TYDIOSVNWVNXGP-LSDHHAIUSA-N 1 1 336.436 0.366 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)CCn2ccnn2)C1=O ZINC001266458613 835860966 /nfs/dbraw/zinc/86/09/66/835860966.db2.gz YMTDCRDDKNQQMY-LSDHHAIUSA-N 1 1 346.435 0.036 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001266461936 835864283 /nfs/dbraw/zinc/86/42/83/835864283.db2.gz ZPLVABXDLPACPX-HIFRSBDPSA-N 1 1 348.447 0.603 20 30 ECEDMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001266461936 835864287 /nfs/dbraw/zinc/86/42/87/835864287.db2.gz ZPLVABXDLPACPX-HIFRSBDPSA-N 1 1 348.447 0.603 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001266466339 835866935 /nfs/dbraw/zinc/86/69/35/835866935.db2.gz MRVWLZVLMYLNHY-AWEZNQCLSA-N 1 1 332.404 0.137 20 30 ECEDMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001266467694 835868286 /nfs/dbraw/zinc/86/82/86/835868286.db2.gz BBRXIIAXWOXBSW-INIZCTEOSA-N 1 1 346.406 0.687 20 30 ECEDMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001266467694 835868292 /nfs/dbraw/zinc/86/82/92/835868292.db2.gz BBRXIIAXWOXBSW-INIZCTEOSA-N 1 1 346.406 0.687 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cnn2c1CCC2 ZINC001266467872 835868979 /nfs/dbraw/zinc/86/89/79/835868979.db2.gz FUPBYTWFQGMZDH-KBPBESRZSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cnn2c1CCC2 ZINC001266467872 835868981 /nfs/dbraw/zinc/86/89/81/835868981.db2.gz FUPBYTWFQGMZDH-KBPBESRZSA-N 1 1 345.447 0.714 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ncccc1NC(C)=O ZINC001266468806 835871220 /nfs/dbraw/zinc/87/12/20/835871220.db2.gz YICKEGHLULAKLO-HNNXBMFYSA-N 1 1 344.415 0.884 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ncccc1NC(C)=O ZINC001266468806 835871227 /nfs/dbraw/zinc/87/12/27/835871227.db2.gz YICKEGHLULAKLO-HNNXBMFYSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc(C(N)=O)n2)C1 ZINC001266475504 835877435 /nfs/dbraw/zinc/87/74/35/835877435.db2.gz GPOUKHLICASMRD-AWEZNQCLSA-N 1 1 328.416 0.988 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)CC ZINC001266488145 835888208 /nfs/dbraw/zinc/88/82/08/835888208.db2.gz CZJKOZSAZYPFIP-CQSZACIVSA-N 1 1 331.482 0.815 20 30 ECEDMO C=CCCC(=O)N1CCC[C@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC001266504955 835907263 /nfs/dbraw/zinc/90/72/63/835907263.db2.gz ZMTQCPLSQJMADI-INIZCTEOSA-N 1 1 337.464 0.718 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CCc2ccoc2)C1 ZINC001266509091 835914133 /nfs/dbraw/zinc/91/41/33/835914133.db2.gz MCBJKSCHBHGCFG-ZBFHGGJFSA-N 1 1 331.416 0.788 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2(COC)CCCC2)C1 ZINC001266517097 835927521 /nfs/dbraw/zinc/92/75/21/835927521.db2.gz GGHYXXMVEMHUBG-HNNXBMFYSA-N 1 1 337.464 0.934 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CC)n2)C1 ZINC001266517414 835928636 /nfs/dbraw/zinc/92/86/36/835928636.db2.gz JNLHNBNFVTVHMR-AWEZNQCLSA-N 1 1 330.432 0.998 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001266517446 835929011 /nfs/dbraw/zinc/92/90/11/835929011.db2.gz JTUHBCJVTCEYDN-UONOGXRCSA-N 1 1 337.420 0.165 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001266521104 835935833 /nfs/dbraw/zinc/93/58/33/835935833.db2.gz ZUNHYGILSHWNHW-LSDHHAIUSA-N 1 1 345.447 0.186 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C#C)cc2)C1 ZINC001266525579 835940995 /nfs/dbraw/zinc/94/09/95/835940995.db2.gz JTKVUSZTVGMKDY-DOTOQJQBSA-N 1 1 337.423 0.858 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(COC)on2)C1 ZINC001266537712 835956557 /nfs/dbraw/zinc/95/65/57/835956557.db2.gz QYSPZGZLRUUGOI-STQMWFEESA-N 1 1 348.403 0.011 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2coc(CC3CC3)n2)C1 ZINC001266539374 835960008 /nfs/dbraw/zinc/96/00/08/835960008.db2.gz ALNBUWJXHMTSFV-CQSZACIVSA-N 1 1 344.415 0.428 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2c(C)nn(CC)c2C)C1 ZINC001266539679 835960667 /nfs/dbraw/zinc/96/06/67/835960667.db2.gz GFYHZDXBGFHLCV-HNNXBMFYSA-N 1 1 345.447 0.321 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001266544805 835966561 /nfs/dbraw/zinc/96/65/61/835966561.db2.gz JCVVYILYYKDUJT-BPQIPLTHSA-N 1 1 339.439 0.978 20 30 ECEDMO CO[C@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CCCC1 ZINC001266546708 835968294 /nfs/dbraw/zinc/96/82/94/835968294.db2.gz VRDKQPKTMDRSSH-BBRMVZONSA-N 1 1 336.436 0.269 20 30 ECEDMO CO[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCCC1 ZINC001266546708 835968301 /nfs/dbraw/zinc/96/83/01/835968301.db2.gz VRDKQPKTMDRSSH-BBRMVZONSA-N 1 1 336.436 0.269 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@](C)(NC(C)=O)C(C)C)C1 ZINC001266551250 835977323 /nfs/dbraw/zinc/97/73/23/835977323.db2.gz NZFHHPNLRRFFDG-WMZOPIPTSA-N 1 1 337.464 0.625 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)/C=C/c1ccc[nH]1)C1CC1 ZINC001266591034 836021562 /nfs/dbraw/zinc/02/15/62/836021562.db2.gz XLAXDLSSYPFBBT-MRZGDXHCSA-N 1 1 328.416 0.746 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)/C=C/c1ccc[nH]1)C1CC1 ZINC001266591034 836021573 /nfs/dbraw/zinc/02/15/73/836021573.db2.gz XLAXDLSSYPFBBT-MRZGDXHCSA-N 1 1 328.416 0.746 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)C1CCC(O)CC1)C1CC1 ZINC001266591074 836021710 /nfs/dbraw/zinc/02/17/10/836021710.db2.gz YSPKPLHISVYYGR-HLIUYOAVSA-N 1 1 337.464 0.809 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)C1CCC(O)CC1)C1CC1 ZINC001266591074 836021725 /nfs/dbraw/zinc/02/17/25/836021725.db2.gz YSPKPLHISVYYGR-HLIUYOAVSA-N 1 1 337.464 0.809 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)C(C)(C)[C@@H]1CCCCO1)C1CC1 ZINC001266592324 836024174 /nfs/dbraw/zinc/02/41/74/836024174.db2.gz PARWFDKAZRYXTJ-INIZCTEOSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)C(C)(C)[C@@H]1CCCCO1)C1CC1 ZINC001266592324 836024180 /nfs/dbraw/zinc/02/41/80/836024180.db2.gz PARWFDKAZRYXTJ-INIZCTEOSA-N 1 1 349.475 0.912 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)C[C@@H]1CCOC[C@H]1OC)C1CC1 ZINC001266594153 836026189 /nfs/dbraw/zinc/02/61/89/836026189.db2.gz HBNLAOVSHYSOID-DOTOQJQBSA-N 1 1 338.448 0.658 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccnc1)C1CC1 ZINC001266611352 836045049 /nfs/dbraw/zinc/04/50/49/836045049.db2.gz GQOCTLQOCWCHTB-DLBZAZTESA-N 1 1 340.427 0.515 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccnc1)C1CC1 ZINC001266611352 836045065 /nfs/dbraw/zinc/04/50/65/836045065.db2.gz GQOCTLQOCWCHTB-DLBZAZTESA-N 1 1 340.427 0.515 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1snnc1C(C)C)C1CC1 ZINC001266615180 836050057 /nfs/dbraw/zinc/05/00/57/836050057.db2.gz BOTLXHDIZMKTJP-UHFFFAOYSA-N 1 1 349.460 0.605 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1snnc1C(C)C)C1CC1 ZINC001266615180 836050061 /nfs/dbraw/zinc/05/00/61/836050061.db2.gz BOTLXHDIZMKTJP-UHFFFAOYSA-N 1 1 349.460 0.605 20 30 ECEDMO C#CCOCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCN(C)C1=O ZINC001266648358 836083973 /nfs/dbraw/zinc/08/39/73/836083973.db2.gz WTSRQFXKMSVARO-NPYXIHBLSA-N 1 1 347.459 0.759 20 30 ECEDMO Cc1ocnc1C(=O)N1CCC[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266656347 836090966 /nfs/dbraw/zinc/09/09/66/836090966.db2.gz SWYSSXOBIXWZIN-KGLIPLIRSA-N 1 1 345.403 0.549 20 30 ECEDMO Cc1ocnc1C(=O)N1CCC[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC001266656347 836090973 /nfs/dbraw/zinc/09/09/73/836090973.db2.gz SWYSSXOBIXWZIN-KGLIPLIRSA-N 1 1 345.403 0.549 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CN(C(C)=O)C2)C1 ZINC001266658373 836093357 /nfs/dbraw/zinc/09/33/57/836093357.db2.gz CEJIIFNZSAESBW-SJLPKXTDSA-N 1 1 349.475 0.980 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc[nH]c2)C1 ZINC001266659071 836094285 /nfs/dbraw/zinc/09/42/85/836094285.db2.gz MAWZBQKMWUGXCF-CABCVRRESA-N 1 1 329.404 0.581 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc[nH]c2)C1 ZINC001266659071 836094295 /nfs/dbraw/zinc/09/42/95/836094295.db2.gz MAWZBQKMWUGXCF-CABCVRRESA-N 1 1 329.404 0.581 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC(F)F)C1 ZINC001266659392 836096156 /nfs/dbraw/zinc/09/61/56/836096156.db2.gz OLXQYKYAXUBUAQ-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COCc2nncn2C)C1 ZINC001266664240 836101594 /nfs/dbraw/zinc/10/15/94/836101594.db2.gz YICVZTIVDHEKFS-GJZGRUSLSA-N 1 1 333.436 0.831 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)c1nc(COC)no1 ZINC001266728664 836207684 /nfs/dbraw/zinc/20/76/84/836207684.db2.gz GMAPBRIAGDSHSJ-KGLIPLIRSA-N 1 1 349.435 0.423 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)c1nc(COC)no1 ZINC001266728664 836207695 /nfs/dbraw/zinc/20/76/95/836207695.db2.gz GMAPBRIAGDSHSJ-KGLIPLIRSA-N 1 1 349.435 0.423 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001266737215 836219427 /nfs/dbraw/zinc/21/94/27/836219427.db2.gz NGUFBQCEQZQTSO-CYBMUJFWSA-N 1 1 332.379 0.907 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001266737215 836219434 /nfs/dbraw/zinc/21/94/34/836219434.db2.gz NGUFBQCEQZQTSO-CYBMUJFWSA-N 1 1 332.379 0.907 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccccn2)C1 ZINC001266737315 836219774 /nfs/dbraw/zinc/21/97/74/836219774.db2.gz QRDAMGVBIKGMHO-HUUCEWRRSA-N 1 1 328.416 0.661 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CNC(=O)CC)C1 ZINC001266743277 836227406 /nfs/dbraw/zinc/22/74/06/836227406.db2.gz LRPMSANDHMZTRT-UONOGXRCSA-N 1 1 338.452 0.032 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)ncn2)C1 ZINC001266746726 836232697 /nfs/dbraw/zinc/23/26/97/836232697.db2.gz ILDFVUNSZWQVFX-AWEZNQCLSA-N 1 1 331.420 0.529 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCc2ccoc2)C1 ZINC001266747908 836234370 /nfs/dbraw/zinc/23/43/70/836234370.db2.gz ZCBUFKHENSOWBW-INIZCTEOSA-N 1 1 331.416 0.790 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001266755708 836250358 /nfs/dbraw/zinc/25/03/58/836250358.db2.gz STUITDWCMYBKSE-AWEZNQCLSA-N 1 1 347.415 0.475 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001266755708 836250365 /nfs/dbraw/zinc/25/03/65/836250365.db2.gz STUITDWCMYBKSE-AWEZNQCLSA-N 1 1 347.415 0.475 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001266758115 836255473 /nfs/dbraw/zinc/25/54/73/836255473.db2.gz NYUGNGXOMAQGQI-CVEARBPZSA-N 1 1 336.480 0.294 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001266763932 836267366 /nfs/dbraw/zinc/26/73/66/836267366.db2.gz KCCJNNJUZNJDOZ-AWEZNQCLSA-N 1 1 338.452 0.032 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C[C@@H](O)COC)nn1 ZINC001266855297 836388899 /nfs/dbraw/zinc/38/88/99/836388899.db2.gz AISVJHGJSRLRIM-UONOGXRCSA-N 1 1 337.424 0.056 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)Cn2ccnc2)C1=O ZINC001266860106 836399641 /nfs/dbraw/zinc/39/96/41/836399641.db2.gz XIPXABKIZXXZPX-JKSUJKDBSA-N 1 1 345.447 0.641 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)Cn2ccnc2)C1=O ZINC001266860106 836399643 /nfs/dbraw/zinc/39/96/43/836399643.db2.gz XIPXABKIZXXZPX-JKSUJKDBSA-N 1 1 345.447 0.641 20 30 ECEDMO Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)cnn1C ZINC001266889253 836437636 /nfs/dbraw/zinc/43/76/36/836437636.db2.gz JCYHRPGPXWFESD-JSGCOSHPSA-N 1 1 346.435 0.199 20 30 ECEDMO Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)cnn1C ZINC001266889253 836437640 /nfs/dbraw/zinc/43/76/40/836437640.db2.gz JCYHRPGPXWFESD-JSGCOSHPSA-N 1 1 346.435 0.199 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cnns2)C1 ZINC001266889072 836438214 /nfs/dbraw/zinc/43/82/14/836438214.db2.gz HTDBSGQVTQCUBB-VXGBXAGGSA-N 1 1 337.449 0.671 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(=O)NCC(F)F ZINC001266891201 836440046 /nfs/dbraw/zinc/44/00/46/836440046.db2.gz OPRTUDSHHROCLX-CHWSQXEVSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(=O)NCC(F)F ZINC001266891206 836440517 /nfs/dbraw/zinc/44/05/17/836440517.db2.gz OPRTUDSHHROCLX-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266897896 836449394 /nfs/dbraw/zinc/44/93/94/836449394.db2.gz QCPOAUGKCMBAPB-HOTGVXAUSA-N 1 1 346.475 0.048 20 30 ECEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001266899366 836452667 /nfs/dbraw/zinc/45/26/67/836452667.db2.gz ZFDXDANZSOURLN-NMNMXBMNSA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001266899366 836452670 /nfs/dbraw/zinc/45/26/70/836452670.db2.gz ZFDXDANZSOURLN-NMNMXBMNSA-N 1 1 335.448 0.683 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CC=CCC1 ZINC001266901010 836453510 /nfs/dbraw/zinc/45/35/10/836453510.db2.gz DTBYLHVLEKGLHY-FXZJEQNSSA-N 1 1 329.444 0.917 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC001266901285 836456064 /nfs/dbraw/zinc/45/60/64/836456064.db2.gz ZGOUNERHHHSPJF-POORBHPNSA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC001266901285 836456070 /nfs/dbraw/zinc/45/60/70/836456070.db2.gz ZGOUNERHHHSPJF-POORBHPNSA-N 1 1 349.475 0.930 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001266903394 836459744 /nfs/dbraw/zinc/45/97/44/836459744.db2.gz JZAKESBGYPWJDU-UUAJXVIYSA-N 1 1 348.491 0.291 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CCNC(=O)C3CC3)C2)CC1 ZINC001267026778 836645776 /nfs/dbraw/zinc/64/57/76/836645776.db2.gz VJCFJZDVYVJAGH-KRWDZBQOSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267108386 836791501 /nfs/dbraw/zinc/79/15/01/836791501.db2.gz OKTZADUTPIOEPS-CABCVRRESA-N 1 1 326.462 0.757 20 30 ECEDMO CCOc1nc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)co1 ZINC001267109217 836793551 /nfs/dbraw/zinc/79/35/51/836793551.db2.gz WWVQOKYUCSPYNB-GFCCVEGCSA-N 1 1 349.391 0.249 20 30 ECEDMO CCOc1nc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)co1 ZINC001267109217 836793555 /nfs/dbraw/zinc/79/35/55/836793555.db2.gz WWVQOKYUCSPYNB-GFCCVEGCSA-N 1 1 349.391 0.249 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2cnoc2CC)C1 ZINC001267111737 836796828 /nfs/dbraw/zinc/79/68/28/836796828.db2.gz LSPWMZNHISUPJL-KBPBESRZSA-N 1 1 346.431 0.911 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cn(CC)nc2C)C1 ZINC001267112405 836799986 /nfs/dbraw/zinc/79/99/86/836799986.db2.gz RMLLTMHTGJKJFD-OAHLLOKOSA-N 1 1 345.447 0.497 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(CC)nc2C)C1 ZINC001267112405 836799991 /nfs/dbraw/zinc/79/99/91/836799991.db2.gz RMLLTMHTGJKJFD-OAHLLOKOSA-N 1 1 345.447 0.497 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NCC=C)C2)nc1 ZINC001267113066 836801937 /nfs/dbraw/zinc/80/19/37/836801937.db2.gz CSQJNRQQJADHKZ-INIZCTEOSA-N 1 1 340.427 0.902 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NCC=C)C2)nc1 ZINC001267113066 836801948 /nfs/dbraw/zinc/80/19/48/836801948.db2.gz CSQJNRQQJADHKZ-INIZCTEOSA-N 1 1 340.427 0.902 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)c1cccnc1 ZINC001267113777 836803056 /nfs/dbraw/zinc/80/30/56/836803056.db2.gz RTTLPTSFLVHPCO-GOEBONIOSA-N 1 1 343.431 0.748 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)c1cccnc1 ZINC001267113777 836803068 /nfs/dbraw/zinc/80/30/68/836803068.db2.gz RTTLPTSFLVHPCO-GOEBONIOSA-N 1 1 343.431 0.748 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)NS(C)(=O)=O ZINC001279576893 836820667 /nfs/dbraw/zinc/82/06/67/836820667.db2.gz QIKPFUVHAIYJMO-MGPQQGTHSA-N 1 1 327.450 0.013 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCCO1 ZINC001267164585 836885902 /nfs/dbraw/zinc/88/59/02/836885902.db2.gz GFRUSWUWJILKSJ-HZPDHXFCSA-N 1 1 335.448 0.666 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccncn1 ZINC001267177690 836920212 /nfs/dbraw/zinc/92/02/12/836920212.db2.gz WUPOUNLEXTVSGY-AWEZNQCLSA-N 1 1 329.404 0.200 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C1=CCCCCC1 ZINC001267193414 836957097 /nfs/dbraw/zinc/95/70/97/836957097.db2.gz PLKYNLBSQKOCIC-UHFFFAOYSA-N 1 1 336.436 0.937 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C1=CCCCCC1 ZINC001267193414 836957105 /nfs/dbraw/zinc/95/71/05/836957105.db2.gz PLKYNLBSQKOCIC-UHFFFAOYSA-N 1 1 336.436 0.937 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2c(C3CC3)cnn2C)C1=O ZINC001267199853 836969783 /nfs/dbraw/zinc/96/97/83/836969783.db2.gz XTKKKNPFXDQYHX-HNNXBMFYSA-N 1 1 345.447 0.746 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2c(C3CC3)cnn2C)C1=O ZINC001267199853 836969791 /nfs/dbraw/zinc/96/97/91/836969791.db2.gz XTKKKNPFXDQYHX-HNNXBMFYSA-N 1 1 345.447 0.746 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccc2n[nH]cc21 ZINC001267210777 836998154 /nfs/dbraw/zinc/99/81/54/836998154.db2.gz MZPSAADMXFRPMF-GFCCVEGCSA-N 1 1 329.404 0.915 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc2n[nH]cc21 ZINC001267210777 836998157 /nfs/dbraw/zinc/99/81/57/836998157.db2.gz MZPSAADMXFRPMF-GFCCVEGCSA-N 1 1 329.404 0.915 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1c[nH]c2ncccc12 ZINC001267230787 837033259 /nfs/dbraw/zinc/03/32/59/837033259.db2.gz CCYRHNKHHDESCT-GFCCVEGCSA-N 1 1 327.388 0.362 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c2ncccc12 ZINC001267230787 837033280 /nfs/dbraw/zinc/03/32/80/837033280.db2.gz CCYRHNKHHDESCT-GFCCVEGCSA-N 1 1 327.388 0.362 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@H](C)C#N)CC(=O)N1CCO[C@H](C)C1 ZINC001267239337 837045856 /nfs/dbraw/zinc/04/58/56/837045856.db2.gz FASRJUASMQHRPP-HUUCEWRRSA-N 1 1 338.452 0.610 20 30 ECEDMO CC[N@@H+](CCNC(=O)[C@@H]1CCNC1=O)Cc1ccc(C#N)c(F)c1 ZINC001267247130 837061218 /nfs/dbraw/zinc/06/12/18/837061218.db2.gz AMZMKWYCVPYCAP-CQSZACIVSA-N 1 1 332.379 0.772 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001267255335 837075412 /nfs/dbraw/zinc/07/54/12/837075412.db2.gz XPIZFJLPVCOSPK-KBPBESRZSA-N 1 1 338.452 0.126 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001267255335 837075423 /nfs/dbraw/zinc/07/54/23/837075423.db2.gz XPIZFJLPVCOSPK-KBPBESRZSA-N 1 1 338.452 0.126 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1O ZINC001267261869 837093234 /nfs/dbraw/zinc/09/32/34/837093234.db2.gz ROABPPHCMDNZTD-UONOGXRCSA-N 1 1 329.400 0.724 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1O ZINC001267261869 837093246 /nfs/dbraw/zinc/09/32/46/837093246.db2.gz ROABPPHCMDNZTD-UONOGXRCSA-N 1 1 329.400 0.724 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001267292604 837148124 /nfs/dbraw/zinc/14/81/24/837148124.db2.gz CWAMTWSECMQQIL-ZIAGYGMSSA-N 1 1 348.399 0.625 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001267292604 837148126 /nfs/dbraw/zinc/14/81/26/837148126.db2.gz CWAMTWSECMQQIL-ZIAGYGMSSA-N 1 1 348.399 0.625 20 30 ECEDMO C#CCCCCCC(=O)NC[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267298398 837159812 /nfs/dbraw/zinc/15/98/12/837159812.db2.gz MLWRTNMQAUUVKI-CABCVRRESA-N 1 1 333.432 0.813 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2cncc(C)c2)C1 ZINC001267298945 837160998 /nfs/dbraw/zinc/16/09/98/837160998.db2.gz UCJUYSMEFCDYLF-HOTGVXAUSA-N 1 1 342.443 0.509 20 30 ECEDMO C#CCCCCCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267298966 837161316 /nfs/dbraw/zinc/16/13/16/837161316.db2.gz UNHNJWAKEZZESN-KBPBESRZSA-N 1 1 336.436 0.592 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cncc(CC)c2)C1 ZINC001267299683 837163110 /nfs/dbraw/zinc/16/31/10/837163110.db2.gz YSUIOLDWSNQGOB-OAHLLOKOSA-N 1 1 330.432 0.998 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N(C)C(C)C)C2)nn1 ZINC001267303219 837169228 /nfs/dbraw/zinc/16/92/28/837169228.db2.gz LONQBAUKOBMGRO-AWEZNQCLSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001267303940 837170738 /nfs/dbraw/zinc/17/07/38/837170738.db2.gz UDTWVWPHZWMDCG-HUUCEWRRSA-N 1 1 348.451 0.266 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001267306503 837178362 /nfs/dbraw/zinc/17/83/62/837178362.db2.gz HZGGNYUFNDPDDE-ZDUSSCGKSA-N 1 1 345.403 0.689 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCc2nccs2)C1 ZINC001267309605 837184273 /nfs/dbraw/zinc/18/42/73/837184273.db2.gz MSCCZIDZIKAUDX-CYBMUJFWSA-N 1 1 336.461 0.816 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCC)CCNC(=O)C#CC(C)C ZINC001267312693 837187842 /nfs/dbraw/zinc/18/78/42/837187842.db2.gz KVVBNPQSDSUNEN-UHFFFAOYSA-N 1 1 336.436 0.486 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CCC)CCNC(=O)C#CC(C)C ZINC001267312693 837187848 /nfs/dbraw/zinc/18/78/48/837187848.db2.gz KVVBNPQSDSUNEN-UHFFFAOYSA-N 1 1 336.436 0.486 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CCC)[C@H]2CCN(C)C2=O)c1 ZINC001267317101 837193907 /nfs/dbraw/zinc/19/39/07/837193907.db2.gz NZZJNNWQKJAQLK-INIZCTEOSA-N 1 1 328.416 0.735 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCCNC(=O)c2cnn(C)n2)C(C)C)C1=O ZINC001267328670 837208353 /nfs/dbraw/zinc/20/83/53/837208353.db2.gz DYRYTCSAOXKJPQ-HNNXBMFYSA-N 1 1 348.451 0.432 20 30 ECEDMO C#CCC[N@H+](CCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C(C)C ZINC001267334861 837218590 /nfs/dbraw/zinc/21/85/90/837218590.db2.gz SZYWCILPETZJDV-UHFFFAOYSA-N 1 1 336.392 0.750 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1ncccc1OC)C1CC1 ZINC001267337202 837221749 /nfs/dbraw/zinc/22/17/49/837221749.db2.gz LENBFDGEQVUVMU-ZDUSSCGKSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1ncccc1OC)C1CC1 ZINC001267337202 837221751 /nfs/dbraw/zinc/22/17/51/837221751.db2.gz LENBFDGEQVUVMU-ZDUSSCGKSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@]1(F)CCOC1)c1ccccc1 ZINC001267371598 837272350 /nfs/dbraw/zinc/27/23/50/837272350.db2.gz ZZUUQKQUTWBOIM-MAUKXSAKSA-N 1 1 347.390 0.312 20 30 ECEDMO CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001267406203 837375557 /nfs/dbraw/zinc/37/55/57/837375557.db2.gz XRSKDFYFGPPUOV-HZSPNIEDSA-N 1 1 331.416 0.516 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC001267579926 837840707 /nfs/dbraw/zinc/84/07/07/837840707.db2.gz NTYWQHWFHWZFCW-GJZGRUSLSA-N 1 1 336.436 0.366 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccncn2)C1 ZINC001267584660 837857119 /nfs/dbraw/zinc/85/71/19/837857119.db2.gz ZEYHEOPKUSWKAR-KGLIPLIRSA-N 1 1 329.404 0.056 20 30 ECEDMO Cc1cc(C)c(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NCC#N)C2)[nH]1 ZINC001267584748 837858103 /nfs/dbraw/zinc/85/81/03/837858103.db2.gz HUEYEPRWCHBYJI-CQSZACIVSA-N 1 1 331.420 0.665 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001267589815 837876141 /nfs/dbraw/zinc/87/61/41/837876141.db2.gz MYXHBPOGNYXEQN-GDBMZVCRSA-N 1 1 347.463 0.813 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC001267591704 837882896 /nfs/dbraw/zinc/88/28/96/837882896.db2.gz HFHXZJJRUXRBQG-ZDUSSCGKSA-N 1 1 335.404 0.984 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001267594895 837896663 /nfs/dbraw/zinc/89/66/63/837896663.db2.gz NKAQJPFJEIHHJH-NSHDSACASA-N 1 1 334.376 0.362 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267596925 837902531 /nfs/dbraw/zinc/90/25/31/837902531.db2.gz RKTRIVQZLXWYSC-JKSUJKDBSA-N 1 1 338.496 0.798 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267596925 837902538 /nfs/dbraw/zinc/90/25/38/837902538.db2.gz RKTRIVQZLXWYSC-JKSUJKDBSA-N 1 1 338.496 0.798 20 30 ECEDMO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC#CCOC)C1)N1CCCC1=O ZINC001267597411 837903850 /nfs/dbraw/zinc/90/38/50/837903850.db2.gz WUFUVWYCOAMYQA-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001267599057 837909274 /nfs/dbraw/zinc/90/92/74/837909274.db2.gz ATMRNPBPZCHYEO-UHFFFAOYSA-N 1 1 334.424 0.124 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C[N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001267598977 837910125 /nfs/dbraw/zinc/91/01/25/837910125.db2.gz XMSCYNPQJFYXCD-RHSMWYFYSA-N 1 1 325.453 0.748 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C[N@@H+](C)Cc2nnc(C)[nH]2)CC1 ZINC001267599484 837912476 /nfs/dbraw/zinc/91/24/76/837912476.db2.gz QECIBKNFFQFIRS-UHFFFAOYSA-N 1 1 333.436 0.823 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C[N@H+](C)Cc2nnc(C)[nH]2)CC1 ZINC001267599484 837912482 /nfs/dbraw/zinc/91/24/82/837912482.db2.gz QECIBKNFFQFIRS-UHFFFAOYSA-N 1 1 333.436 0.823 20 30 ECEDMO C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC001267599823 837914300 /nfs/dbraw/zinc/91/43/00/837914300.db2.gz DNTJQXMZJOEVIA-HNNXBMFYSA-N 1 1 343.418 0.756 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)CNC(=O)C2CCCCC2)CC1 ZINC001267618095 838048160 /nfs/dbraw/zinc/04/81/60/838048160.db2.gz KMGCREVFJNYDPL-UHFFFAOYSA-N 1 1 348.491 0.392 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)CNC(=O)C2CCCCC2)CC1 ZINC001267618095 838048172 /nfs/dbraw/zinc/04/81/72/838048172.db2.gz KMGCREVFJNYDPL-UHFFFAOYSA-N 1 1 348.491 0.392 20 30 ECEDMO C=CCOCC[N@H+]1CCC[C@@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001267622089 838061793 /nfs/dbraw/zinc/06/17/93/838061793.db2.gz LUMOEHXIMVACMB-CQSZACIVSA-N 1 1 344.419 0.450 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CCn2nc(C)nc2C)C1 ZINC001267625738 838072021 /nfs/dbraw/zinc/07/20/21/838072021.db2.gz DAFUENJFWBLNCY-CJNGLKHVSA-N 1 1 333.436 0.514 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCOCC(F)F)C1 ZINC001267626398 838076688 /nfs/dbraw/zinc/07/66/88/838076688.db2.gz UMSVFDOAYJZTMD-OLZOCXBDSA-N 1 1 345.390 0.377 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCOCC(F)F)C1 ZINC001267626398 838076696 /nfs/dbraw/zinc/07/66/96/838076696.db2.gz UMSVFDOAYJZTMD-OLZOCXBDSA-N 1 1 345.390 0.377 20 30 ECEDMO Cc1ncsc1C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001267632089 838093065 /nfs/dbraw/zinc/09/30/65/838093065.db2.gz KUJUTMLVNBPPJO-LBPRGKRZSA-N 1 1 335.433 0.485 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC001267638637 838116498 /nfs/dbraw/zinc/11/64/98/838116498.db2.gz PEPPOXXIJDPCCS-CYBMUJFWSA-N 1 1 334.395 0.917 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC001267639062 838117750 /nfs/dbraw/zinc/11/77/50/838117750.db2.gz XPILOWJKUGCVBT-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2cncc(OC)n2)C1 ZINC001267646535 838133498 /nfs/dbraw/zinc/13/34/98/838133498.db2.gz QASJEGLCNKQTQV-HUUCEWRRSA-N 1 1 346.431 0.804 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001267653796 838158404 /nfs/dbraw/zinc/15/84/04/838158404.db2.gz YWCGXROXCVKYBW-JKSUJKDBSA-N 1 1 335.448 0.285 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)c2occc2Cl)C1 ZINC001267684372 838246194 /nfs/dbraw/zinc/24/61/94/838246194.db2.gz PZPOSURBFMPOSE-NSHDSACASA-N 1 1 338.795 0.967 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001267694712 838281981 /nfs/dbraw/zinc/28/19/81/838281981.db2.gz QMMDMHZHDIJNFM-UHFFFAOYSA-N 1 1 340.427 0.883 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001267694773 838282544 /nfs/dbraw/zinc/28/25/44/838282544.db2.gz SJCYQIRVOAJONV-UHFFFAOYSA-N 1 1 345.443 0.816 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001267698105 838288648 /nfs/dbraw/zinc/28/86/48/838288648.db2.gz VZPJVTUOMVHUBY-KBPBESRZSA-N 1 1 330.432 0.924 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cc2csc(C)n2)C1 ZINC001267698733 838292959 /nfs/dbraw/zinc/29/29/59/838292959.db2.gz NNMCRYGBTYPAST-NSHDSACASA-N 1 1 336.461 0.733 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cc2csc(C)n2)C1 ZINC001267698732 838293301 /nfs/dbraw/zinc/29/33/01/838293301.db2.gz NNMCRYGBTYPAST-LLVKDONJSA-N 1 1 336.461 0.733 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001267702692 838300545 /nfs/dbraw/zinc/30/05/45/838300545.db2.gz IFCHLOSIYPTZIQ-SNVBAGLBSA-N 1 1 339.783 0.362 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCNS(=O)(=O)CC ZINC001267704538 838304964 /nfs/dbraw/zinc/30/49/64/838304964.db2.gz UNZAKHYPUCHMPY-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCNS(=O)(=O)CC ZINC001267704538 838304971 /nfs/dbraw/zinc/30/49/71/838304971.db2.gz UNZAKHYPUCHMPY-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn3cc[nH]c23)C1 ZINC001267703535 838306290 /nfs/dbraw/zinc/30/62/90/838306290.db2.gz QCDXEOOTLYOPLG-CQSZACIVSA-N 1 1 329.404 0.706 20 30 ECEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001267708145 838315417 /nfs/dbraw/zinc/31/54/17/838315417.db2.gz JXMYJPOMDHGWRJ-KBPBESRZSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001267714740 838346063 /nfs/dbraw/zinc/34/60/63/838346063.db2.gz OZYKMSBVOHSGJB-ZBFHGGJFSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001267719826 838373257 /nfs/dbraw/zinc/37/32/57/838373257.db2.gz PRIIDXGNBRDPGX-PYHCZJRBSA-N 1 1 348.447 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001267719826 838373265 /nfs/dbraw/zinc/37/32/65/838373265.db2.gz PRIIDXGNBRDPGX-PYHCZJRBSA-N 1 1 348.447 0.934 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@H](O)COCC(C)C)C2)c1 ZINC001267728844 838412462 /nfs/dbraw/zinc/41/24/62/838412462.db2.gz NOXAAWTYNYWNRF-ROUUACIJSA-N 1 1 345.443 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)Cn2nccc2C)CC1 ZINC001299167207 838454939 /nfs/dbraw/zinc/45/49/39/838454939.db2.gz YNIKUTHUFFAZLS-HNNXBMFYSA-N 1 1 343.431 0.054 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)Cn2nccc2C)CC1 ZINC001299167207 838454942 /nfs/dbraw/zinc/45/49/42/838454942.db2.gz YNIKUTHUFFAZLS-HNNXBMFYSA-N 1 1 343.431 0.054 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001267750718 838472327 /nfs/dbraw/zinc/47/23/27/838472327.db2.gz NQFOCYTVEIGFRS-QWHCGFSZSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001267750718 838472330 /nfs/dbraw/zinc/47/23/30/838472330.db2.gz NQFOCYTVEIGFRS-QWHCGFSZSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCC(=O)N2CCOCC2)C1 ZINC001267754944 838479615 /nfs/dbraw/zinc/47/96/15/838479615.db2.gz UPTFMZOUKKXXBB-OAHLLOKOSA-N 1 1 339.436 0.019 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001267763483 838492400 /nfs/dbraw/zinc/49/24/00/838492400.db2.gz XRZSIHJNPQTSST-IUODEOHRSA-N 1 1 346.431 0.309 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001267763483 838492403 /nfs/dbraw/zinc/49/24/03/838492403.db2.gz XRZSIHJNPQTSST-IUODEOHRSA-N 1 1 346.431 0.309 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001267766506 838500699 /nfs/dbraw/zinc/50/06/99/838500699.db2.gz JRJHLOMEVSUBMB-OAHLLOKOSA-N 1 1 341.415 0.764 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001267766506 838500703 /nfs/dbraw/zinc/50/07/03/838500703.db2.gz JRJHLOMEVSUBMB-OAHLLOKOSA-N 1 1 341.415 0.764 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001267767945 838505496 /nfs/dbraw/zinc/50/54/96/838505496.db2.gz KYUUTAIHHRUVIF-ZDUSSCGKSA-N 1 1 347.419 0.248 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001267767945 838505499 /nfs/dbraw/zinc/50/54/99/838505499.db2.gz KYUUTAIHHRUVIF-ZDUSSCGKSA-N 1 1 347.419 0.248 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cnn(C)c2C)C1 ZINC001267767965 838505669 /nfs/dbraw/zinc/50/56/69/838505669.db2.gz REUFUYCQTTZJKW-GDBMZVCRSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2cnn(C)c2C)C1 ZINC001267767965 838505671 /nfs/dbraw/zinc/50/56/71/838505671.db2.gz REUFUYCQTTZJKW-GDBMZVCRSA-N 1 1 347.463 0.494 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(C)c2CC)C1 ZINC001267771665 838522379 /nfs/dbraw/zinc/52/23/79/838522379.db2.gz LENVNSWEUJJDLL-CABCVRRESA-N 1 1 344.459 0.872 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccn(C)c2CC)C1 ZINC001267771665 838522385 /nfs/dbraw/zinc/52/23/85/838522385.db2.gz LENVNSWEUJJDLL-CABCVRRESA-N 1 1 344.459 0.872 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C(F)F)C1 ZINC001267771901 838523149 /nfs/dbraw/zinc/52/31/49/838523149.db2.gz PIVGGXPZNKJMPY-NEPJUHHUSA-N 1 1 329.391 0.948 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C(F)F)C1 ZINC001267771901 838523152 /nfs/dbraw/zinc/52/31/52/838523152.db2.gz PIVGGXPZNKJMPY-NEPJUHHUSA-N 1 1 329.391 0.948 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001267773120 838531999 /nfs/dbraw/zinc/53/19/99/838531999.db2.gz JQKFXEZOEMDTIC-PMPSAXMXSA-N 1 1 326.437 0.509 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001267773326 838532944 /nfs/dbraw/zinc/53/29/44/838532944.db2.gz LVQFFDBYRBKDSE-SJORKVTESA-N 1 1 347.463 0.887 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(CC)nn2C)C1 ZINC001267775695 838538496 /nfs/dbraw/zinc/53/84/96/838538496.db2.gz VTGJPSMMCBTFDE-ZFWWWQNUSA-N 1 1 345.447 0.267 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(CC)nn2C)C1 ZINC001267775695 838538505 /nfs/dbraw/zinc/53/85/05/838538505.db2.gz VTGJPSMMCBTFDE-ZFWWWQNUSA-N 1 1 345.447 0.267 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2cccs2)C1 ZINC001267776546 838542736 /nfs/dbraw/zinc/54/27/36/838542736.db2.gz CFRDQAMVFFGSOJ-CQSZACIVSA-N 1 1 349.456 0.660 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2cccs2)C1 ZINC001267776546 838542744 /nfs/dbraw/zinc/54/27/44/838542744.db2.gz CFRDQAMVFFGSOJ-CQSZACIVSA-N 1 1 349.456 0.660 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)NC(=O)CC)C1 ZINC001267785862 838562849 /nfs/dbraw/zinc/56/28/49/838562849.db2.gz IFRBJMGEGDIMOL-KBPBESRZSA-N 1 1 338.452 0.126 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)NC(=O)CC)C1 ZINC001267785862 838562853 /nfs/dbraw/zinc/56/28/53/838562853.db2.gz IFRBJMGEGDIMOL-KBPBESRZSA-N 1 1 338.452 0.126 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CCc2ccn(C)n2)C1 ZINC001267787206 838564210 /nfs/dbraw/zinc/56/42/10/838564210.db2.gz XQIJAKBMWQRRFS-INIZCTEOSA-N 1 1 345.447 0.025 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CCc2ccn(C)n2)C1 ZINC001267787206 838564215 /nfs/dbraw/zinc/56/42/15/838564215.db2.gz XQIJAKBMWQRRFS-INIZCTEOSA-N 1 1 345.447 0.025 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001267794929 838574518 /nfs/dbraw/zinc/57/45/18/838574518.db2.gz SOUMPTGCTKBBQG-GOEBONIOSA-N 1 1 345.447 0.196 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001267794929 838574524 /nfs/dbraw/zinc/57/45/24/838574524.db2.gz SOUMPTGCTKBBQG-GOEBONIOSA-N 1 1 345.447 0.196 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001267962102 838876939 /nfs/dbraw/zinc/87/69/39/838876939.db2.gz BTCFXZFUCQIMRO-GHMZBOCLSA-N 1 1 338.433 0.734 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001267962102 838876948 /nfs/dbraw/zinc/87/69/48/838876948.db2.gz BTCFXZFUCQIMRO-GHMZBOCLSA-N 1 1 338.433 0.734 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H](C)CO1)CC2 ZINC001267973585 838904406 /nfs/dbraw/zinc/90/44/06/838904406.db2.gz UUVNYHDYCURYAM-HOTGVXAUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCOCCC(=O)N1CCC2(CC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001267973764 838907275 /nfs/dbraw/zinc/90/72/75/838907275.db2.gz ZZERPVURZLWHCG-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO O=C(C#CC1CC1)NC[C@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)CCO1 ZINC001268021727 838998768 /nfs/dbraw/zinc/99/87/68/838998768.db2.gz JDGBQDRHZOYVMM-HOTGVXAUSA-N 1 1 333.432 0.133 20 30 ECEDMO O=C(C#CC1CC1)NC[C@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)CCO1 ZINC001268021727 838998777 /nfs/dbraw/zinc/99/87/77/838998777.db2.gz JDGBQDRHZOYVMM-HOTGVXAUSA-N 1 1 333.432 0.133 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccncc2)C1 ZINC001268022742 839002134 /nfs/dbraw/zinc/00/21/34/839002134.db2.gz XKJVAMSGSOHVKS-HNNXBMFYSA-N 1 1 332.404 0.205 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccncc2)C1 ZINC001268022742 839002145 /nfs/dbraw/zinc/00/21/45/839002145.db2.gz XKJVAMSGSOHVKS-HNNXBMFYSA-N 1 1 332.404 0.205 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)C(C)(C)C)C1 ZINC001268028915 839044307 /nfs/dbraw/zinc/04/43/07/839044307.db2.gz PSJLBSLKCJSXDA-AWEZNQCLSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)SC)CC2 ZINC001268041590 839178751 /nfs/dbraw/zinc/17/87/51/839178751.db2.gz AOIPTTYHVMEZMP-ZDUSSCGKSA-N 1 1 325.478 0.965 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)[C@]1(C)CCC(=O)NC1)CC2 ZINC001268046379 839212882 /nfs/dbraw/zinc/21/28/82/839212882.db2.gz YHHYNHKAVWOALK-GOSISDBHSA-N 1 1 347.459 0.477 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000178097653 232080419 /nfs/dbraw/zinc/08/04/19/232080419.db2.gz NIKJIIUVDLYHJX-OAHLLOKOSA-N 1 1 342.399 0.677 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000329791783 283095614 /nfs/dbraw/zinc/09/56/14/283095614.db2.gz UTIFVDNPVQSVTA-HZSPNIEDSA-N 1 1 329.466 0.894 20 30 ECEDMO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000330578114 283398109 /nfs/dbraw/zinc/39/81/09/283398109.db2.gz PEMYLRLFNQQPSC-ILXRZTDVSA-N 1 1 340.468 0.762 20 30 ECEDMO C[C@](C#N)(NC(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)C1CC1 ZINC000360778303 291331503 /nfs/dbraw/zinc/33/15/03/291331503.db2.gz VNIQPEOMXJEMTB-MAUKXSAKSA-N 1 1 347.463 0.209 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000330409996 285046463 /nfs/dbraw/zinc/04/64/63/285046463.db2.gz YLCMDWCWTGCEJF-MGPQQGTHSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000330409996 285046464 /nfs/dbraw/zinc/04/64/64/285046464.db2.gz YLCMDWCWTGCEJF-MGPQQGTHSA-N 1 1 332.470 0.100 20 30 ECEDMO CN1CC[C@@H](O[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000174125726 254505027 /nfs/dbraw/zinc/50/50/27/254505027.db2.gz FJLJDKHAAHPFPR-OAHLLOKOSA-N 1 1 332.404 0.515 20 30 ECEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000332000280 254654736 /nfs/dbraw/zinc/65/47/36/254654736.db2.gz RLNOYINRXZJZKK-CYBMUJFWSA-N 1 1 329.466 0.787 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000332000280 254654738 /nfs/dbraw/zinc/65/47/38/254654738.db2.gz RLNOYINRXZJZKK-CYBMUJFWSA-N 1 1 329.466 0.787 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N(CCC#N)CCN2CCOCC2)no1 ZINC000355612006 254720195 /nfs/dbraw/zinc/72/01/95/254720195.db2.gz UYCJZVNIHCYTCH-UHFFFAOYSA-N 1 1 335.408 0.424 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000425910648 254785249 /nfs/dbraw/zinc/78/52/49/254785249.db2.gz XBORQZUVZZKEKP-JJXSEGSLSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000491308611 254907837 /nfs/dbraw/zinc/90/78/37/254907837.db2.gz VHBYIZQUVJCWBF-UHFFFAOYSA-N 1 1 345.446 0.089 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001077942376 781982540 /nfs/dbraw/zinc/98/25/40/781982540.db2.gz MDRROECSTKZLSZ-CHWSQXEVSA-N 1 1 327.306 0.899 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000419348478 209065549 /nfs/dbraw/zinc/06/55/49/209065549.db2.gz SEFYOHKMYDRAOU-AWEZNQCLSA-N 1 1 331.372 0.691 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000419348478 209065554 /nfs/dbraw/zinc/06/55/54/209065554.db2.gz SEFYOHKMYDRAOU-AWEZNQCLSA-N 1 1 331.372 0.691 20 30 ECEDMO C[C@@](O)(CNC(=O)/C=C/c1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000080897309 296625745 /nfs/dbraw/zinc/62/57/45/296625745.db2.gz PYSQJYBISCFOLQ-DUMMIQTOSA-N 1 1 329.400 0.771 20 30 ECEDMO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000152967761 296690129 /nfs/dbraw/zinc/69/01/29/296690129.db2.gz RUMIPMCFWZROLI-KGLIPLIRSA-N 1 1 336.417 0.098 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC001041704216 782022972 /nfs/dbraw/zinc/02/29/72/782022972.db2.gz RCAUYRAXUIHHDU-WMLDXEAASA-N 1 1 328.420 0.183 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2csc(COC)n2)C1 ZINC001077968206 782037581 /nfs/dbraw/zinc/03/75/81/782037581.db2.gz IQMCXBHEOXAOPT-CHWSQXEVSA-N 1 1 325.434 0.569 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000270904730 263284057 /nfs/dbraw/zinc/28/40/57/263284057.db2.gz NCNIIHKFFDUBQH-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000270904730 263284058 /nfs/dbraw/zinc/28/40/58/263284058.db2.gz NCNIIHKFFDUBQH-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3COC(=O)N3)CC2)cc1 ZINC000282853930 264065567 /nfs/dbraw/zinc/06/55/67/264065567.db2.gz CBHNABJJMKAPSK-OAHLLOKOSA-N 1 1 328.372 0.701 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3COC(=O)N3)CC2)cc1 ZINC000282853930 264065568 /nfs/dbraw/zinc/06/55/68/264065568.db2.gz CBHNABJJMKAPSK-OAHLLOKOSA-N 1 1 328.372 0.701 20 30 ECEDMO Cn1cc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000362840735 270007221 /nfs/dbraw/zinc/00/72/21/270007221.db2.gz QVDFFDCLLCBFPE-OAHLLOKOSA-N 1 1 331.420 0.033 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000346675615 267164192 /nfs/dbraw/zinc/16/41/92/267164192.db2.gz WOBMKKPIVQJXNR-WBVHZDCISA-N 1 1 333.432 0.686 20 30 ECEDMO C[C@H](CO)N1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000346675615 267164195 /nfs/dbraw/zinc/16/41/95/267164195.db2.gz WOBMKKPIVQJXNR-WBVHZDCISA-N 1 1 333.432 0.686 20 30 ECEDMO C[C@H](CO)N1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000346675615 267164196 /nfs/dbraw/zinc/16/41/96/267164196.db2.gz WOBMKKPIVQJXNR-WBVHZDCISA-N 1 1 333.432 0.686 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1F ZINC000296181692 268016658 /nfs/dbraw/zinc/01/66/58/268016658.db2.gz LQVVAKLZZSVFBT-CYBMUJFWSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)ccc1F ZINC000296181692 268016660 /nfs/dbraw/zinc/01/66/60/268016660.db2.gz LQVVAKLZZSVFBT-CYBMUJFWSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366427051 268100024 /nfs/dbraw/zinc/10/00/24/268100024.db2.gz HNCXXVVNPRTLRQ-NWDGAFQWSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366427051 268100026 /nfs/dbraw/zinc/10/00/26/268100026.db2.gz HNCXXVVNPRTLRQ-NWDGAFQWSA-N 1 1 346.774 0.745 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000366498475 268177322 /nfs/dbraw/zinc/17/73/22/268177322.db2.gz ASJKKLXDOILXFG-IRXDYDNUSA-N 1 1 331.416 0.704 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN([C@H]3CCOC3)CC2)cc1 ZINC000366498475 268177325 /nfs/dbraw/zinc/17/73/25/268177325.db2.gz ASJKKLXDOILXFG-IRXDYDNUSA-N 1 1 331.416 0.704 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000368975374 268251324 /nfs/dbraw/zinc/25/13/24/268251324.db2.gz VIPATMIGRRPTBM-UXLLHSPISA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000368975374 268251326 /nfs/dbraw/zinc/25/13/26/268251326.db2.gz VIPATMIGRRPTBM-UXLLHSPISA-N 1 1 326.400 0.760 20 30 ECEDMO C=CCn1cccc1C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000490017554 276913412 /nfs/dbraw/zinc/91/34/12/276913412.db2.gz CBHFXRUASHQNIB-AWEZNQCLSA-N 1 1 339.461 0.865 20 30 ECEDMO CN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@@H]1C#N ZINC000373490727 276918867 /nfs/dbraw/zinc/91/88/67/276918867.db2.gz SWCOKBIQLKCRQN-XHSDSOJGSA-N 1 1 335.452 0.479 20 30 ECEDMO C[N@H+]1CC[C@H](NC(=O)NCC(=O)NCC#N)[C@H]1c1ccc(F)cc1 ZINC000376248535 277166387 /nfs/dbraw/zinc/16/63/87/277166387.db2.gz DORDQSIYJDCZRE-DZGCQCFKSA-N 1 1 333.367 0.510 20 30 ECEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336938579 278267127 /nfs/dbraw/zinc/26/71/27/278267127.db2.gz HQXYJAHRQPDRCF-LJISPDSOSA-N 1 1 344.481 0.412 20 30 ECEDMO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000329185030 278299943 /nfs/dbraw/zinc/29/99/43/278299943.db2.gz OMRURTGNVNTXRM-ASEORRQLSA-N 1 1 325.409 0.034 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000328675787 288114447 /nfs/dbraw/zinc/11/44/47/288114447.db2.gz RBSSNHVFJIBVIO-WXHSDQCUSA-N 1 1 330.454 0.136 20 30 ECEDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000330209985 289036104 /nfs/dbraw/zinc/03/61/04/289036104.db2.gz IANFAAHQBKOZDH-MGPQQGTHSA-N 1 1 347.481 0.112 20 30 ECEDMO C[N@H+]1CC[C@@H](CNC(=O)NCC(=O)NCC#N)[C@H]1c1cccs1 ZINC000376328916 290127542 /nfs/dbraw/zinc/12/75/42/290127542.db2.gz WZTQZNORUPPZIL-FZMZJTMJSA-N 1 1 335.433 0.680 20 30 ECEDMO C[C@H](O)C[C@@H]1COCCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331280586 290135669 /nfs/dbraw/zinc/13/56/69/290135669.db2.gz UHBADWFVDFOCTH-LSDHHAIUSA-N 1 1 342.484 0.398 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001077977961 782059289 /nfs/dbraw/zinc/05/92/89/782059289.db2.gz XXWOMJNWJDBFPM-RBSFLKMASA-N 1 1 347.415 0.458 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCN3C(=O)CNC3=O)CC2)cc1 ZINC000075609112 436165794 /nfs/dbraw/zinc/16/57/94/436165794.db2.gz KOVYPPPSIADZSM-UHFFFAOYSA-N 1 1 341.415 0.618 20 30 ECEDMO N#Cc1ccc(CN2CCC[N@@H+](CCN3C(=O)CNC3=O)CC2)cc1 ZINC000075609112 436165800 /nfs/dbraw/zinc/16/58/00/436165800.db2.gz KOVYPPPSIADZSM-UHFFFAOYSA-N 1 1 341.415 0.618 20 30 ECEDMO N#Cc1ccc(CN2CCC[N@H+](CCN3C(=O)CNC3=O)CC2)cc1 ZINC000075609112 436165803 /nfs/dbraw/zinc/16/58/03/436165803.db2.gz KOVYPPPSIADZSM-UHFFFAOYSA-N 1 1 341.415 0.618 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000075968830 436182993 /nfs/dbraw/zinc/18/29/93/436182993.db2.gz VHJFHAFUOJWLQP-HUUCEWRRSA-N 1 1 338.452 0.573 20 30 ECEDMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000046044109 436383702 /nfs/dbraw/zinc/38/37/02/436383702.db2.gz XHWKPWHVAYEFIC-UHFFFAOYSA-N 1 1 343.431 0.864 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000046044109 436383705 /nfs/dbraw/zinc/38/37/05/436383705.db2.gz XHWKPWHVAYEFIC-UHFFFAOYSA-N 1 1 343.431 0.864 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(CC(=O)NC(C)C)CC1 ZINC000046516636 436396845 /nfs/dbraw/zinc/39/68/45/436396845.db2.gz IJAADRLQUPJXQI-UHFFFAOYSA-N 1 1 336.480 0.719 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(CC(=O)NC(C)C)CC1 ZINC000046516636 436396846 /nfs/dbraw/zinc/39/68/46/436396846.db2.gz IJAADRLQUPJXQI-UHFFFAOYSA-N 1 1 336.480 0.719 20 30 ECEDMO CC(=O)[C@H](NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N)C(C)C ZINC000089943791 436421237 /nfs/dbraw/zinc/42/12/37/436421237.db2.gz JHWKJZGTJBEJLG-OAHLLOKOSA-N 1 1 334.424 0.458 20 30 ECEDMO CC(=O)[C@H](NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)C(C)C ZINC000089943791 436421239 /nfs/dbraw/zinc/42/12/39/436421239.db2.gz JHWKJZGTJBEJLG-OAHLLOKOSA-N 1 1 334.424 0.458 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000089925885 436421307 /nfs/dbraw/zinc/42/13/07/436421307.db2.gz NHUMXMBTSPCILQ-GXTWGEPZSA-N 1 1 349.435 0.566 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C(N)=O)C2)cc1Cl ZINC000051105948 436482985 /nfs/dbraw/zinc/48/29/85/436482985.db2.gz JWVPQOYLGOFVIM-ZDUSSCGKSA-N 1 1 336.779 0.726 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](C(N)=O)C2)cc1Cl ZINC000051105948 436482987 /nfs/dbraw/zinc/48/29/87/436482987.db2.gz JWVPQOYLGOFVIM-ZDUSSCGKSA-N 1 1 336.779 0.726 20 30 ECEDMO CC(C)[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)N1CCN(C)CC1 ZINC000549762061 302341082 /nfs/dbraw/zinc/34/10/82/302341082.db2.gz YVVBLQDKOOHHMH-QGZVFWFLSA-N 1 1 341.463 0.963 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195304327 436688292 /nfs/dbraw/zinc/68/82/92/436688292.db2.gz AZOWCLSYCZZLRX-MJBXVCDLSA-N 1 1 326.441 0.428 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195304327 436688297 /nfs/dbraw/zinc/68/82/97/436688297.db2.gz AZOWCLSYCZZLRX-MJBXVCDLSA-N 1 1 326.441 0.428 20 30 ECEDMO C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000151270069 436700828 /nfs/dbraw/zinc/70/08/28/436700828.db2.gz RXHCFBCLMVESKH-BBRMVZONSA-N 1 1 332.404 0.955 20 30 ECEDMO C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000151270069 436700830 /nfs/dbraw/zinc/70/08/30/436700830.db2.gz RXHCFBCLMVESKH-BBRMVZONSA-N 1 1 332.404 0.955 20 30 ECEDMO C=CCNC(=O)CN(C)[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NCC=C ZINC000272310119 436710270 /nfs/dbraw/zinc/71/02/70/436710270.db2.gz ITGDJBLFCNNTPN-HOTGVXAUSA-N 1 1 336.480 0.766 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+](C)CC)cc1 ZINC000118107634 436661462 /nfs/dbraw/zinc/66/14/62/436661462.db2.gz JDLYAZVAMOFRCN-UHFFFAOYSA-N 1 1 332.404 0.609 20 30 ECEDMO C=CCCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000120308813 436684632 /nfs/dbraw/zinc/68/46/32/436684632.db2.gz ZBNWDDQWEBBQRU-CQSZACIVSA-N 1 1 329.466 0.378 20 30 ECEDMO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000124690135 436755037 /nfs/dbraw/zinc/75/50/37/436755037.db2.gz JPHWFAHLAQLCLA-PHIMTYICSA-N 1 1 336.373 0.981 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000245569254 436764315 /nfs/dbraw/zinc/76/43/15/436764315.db2.gz WAMVIUUQUSEZGD-HOTGVXAUSA-N 1 1 349.479 0.231 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000245569254 436764319 /nfs/dbraw/zinc/76/43/19/436764319.db2.gz WAMVIUUQUSEZGD-HOTGVXAUSA-N 1 1 349.479 0.231 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+](CC)C2)cc1 ZINC000121498666 436717454 /nfs/dbraw/zinc/71/74/54/436717454.db2.gz SCLIJLLETVACER-CQSZACIVSA-N 1 1 349.456 0.670 20 30 ECEDMO CC#CC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000292999726 436842385 /nfs/dbraw/zinc/84/23/85/436842385.db2.gz CTSFRPALIBLBLX-OLZOCXBDSA-N 1 1 337.445 0.855 20 30 ECEDMO CC#CC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000292999726 436842393 /nfs/dbraw/zinc/84/23/93/436842393.db2.gz CTSFRPALIBLBLX-OLZOCXBDSA-N 1 1 337.445 0.855 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279946919 436851766 /nfs/dbraw/zinc/85/17/66/436851766.db2.gz LVPIQUJBIAUMKH-GOSISDBHSA-N 1 1 339.443 0.994 20 30 ECEDMO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160074626 436868573 /nfs/dbraw/zinc/86/85/73/436868573.db2.gz WIFZURLTMLJZJD-CQSZACIVSA-N 1 1 325.409 0.682 20 30 ECEDMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160074626 436868577 /nfs/dbraw/zinc/86/85/77/436868577.db2.gz WIFZURLTMLJZJD-CQSZACIVSA-N 1 1 325.409 0.682 20 30 ECEDMO COCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000132853090 436871010 /nfs/dbraw/zinc/87/10/10/436871010.db2.gz PZQPXOFQJYUFJJ-UHFFFAOYSA-N 1 1 330.388 0.959 20 30 ECEDMO COCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000132853090 436871014 /nfs/dbraw/zinc/87/10/14/436871014.db2.gz PZQPXOFQJYUFJJ-UHFFFAOYSA-N 1 1 330.388 0.959 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000279710077 436833703 /nfs/dbraw/zinc/83/37/03/436833703.db2.gz KFOQNCGAKYTIDC-ZDUSSCGKSA-N 1 1 326.441 0.429 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000279710077 436833705 /nfs/dbraw/zinc/83/37/05/436833705.db2.gz KFOQNCGAKYTIDC-ZDUSSCGKSA-N 1 1 326.441 0.429 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(N2CCCNC2=O)CC1)C1CC1 ZINC000135444237 436916404 /nfs/dbraw/zinc/91/64/04/436916404.db2.gz LBMBVLMQBYCICS-KRWDZBQOSA-N 1 1 333.436 0.675 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC000293995942 436925004 /nfs/dbraw/zinc/92/50/04/436925004.db2.gz OKUUXTQALQVHFH-UHFFFAOYSA-N 1 1 343.431 0.492 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccnc(C#N)c1 ZINC000280364895 436885258 /nfs/dbraw/zinc/88/52/58/436885258.db2.gz UTGORHUDALYDQF-HNNXBMFYSA-N 1 1 329.404 0.626 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccnc(C#N)c1 ZINC000280364897 436885513 /nfs/dbraw/zinc/88/55/13/436885513.db2.gz UTGORHUDALYDQF-OAHLLOKOSA-N 1 1 329.404 0.626 20 30 ECEDMO CCOC(=O)CON=C(C(=O)NC[C@H](C)C[NH+](C)C)c1ccn[nH]1 ZINC000293701059 436901357 /nfs/dbraw/zinc/90/13/57/436901357.db2.gz INLOGAZVEWEBLR-FXONDUCNSA-N 1 1 339.396 0.007 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000162471104 436907590 /nfs/dbraw/zinc/90/75/90/436907590.db2.gz XAEKGWGUTVUEBY-MAUKXSAKSA-N 1 1 347.463 0.033 20 30 ECEDMO C=C(C)COCCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000135038823 436909265 /nfs/dbraw/zinc/90/92/65/436909265.db2.gz JEXYEVPRYZPRDW-UHFFFAOYSA-N 1 1 326.441 0.431 20 30 ECEDMO C[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CC[NH+](C)CC1 ZINC000263683926 436977881 /nfs/dbraw/zinc/97/78/81/436977881.db2.gz OGTBMENPDZSTRM-OAHLLOKOSA-N 1 1 342.447 0.238 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000295885607 436981021 /nfs/dbraw/zinc/98/10/21/436981021.db2.gz PTHRMMPCUFZFGD-HOTGVXAUSA-N 1 1 330.432 0.747 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H](Cc1ccccc1)n1nnnc1C ZINC000294090300 436934190 /nfs/dbraw/zinc/93/41/90/436934190.db2.gz XLCJCOCSYLMESU-KRWDZBQOSA-N 1 1 340.431 0.837 20 30 ECEDMO Cn1cc([C@@H](CO)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cn1 ZINC000275215993 436942342 /nfs/dbraw/zinc/94/23/42/436942342.db2.gz SVJKDRLEPSEVRQ-MRXNPFEDSA-N 1 1 327.388 0.990 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCO[C@H](C)C3)CC2)o1 ZINC000170766454 436953681 /nfs/dbraw/zinc/95/36/81/436953681.db2.gz LBVSYVVKJKKDDB-CYBMUJFWSA-N 1 1 347.419 0.614 20 30 ECEDMO C=CCN(C)C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000297440445 437007881 /nfs/dbraw/zinc/00/78/81/437007881.db2.gz BGPIZZDBQQASPX-UHFFFAOYSA-N 1 1 344.459 0.911 20 30 ECEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)c1C ZINC000285142377 437075287 /nfs/dbraw/zinc/07/52/87/437075287.db2.gz SXFCEWMMTCLWGK-GOSISDBHSA-N 1 1 344.415 0.472 20 30 ECEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)c1C ZINC000285142377 437075293 /nfs/dbraw/zinc/07/52/93/437075293.db2.gz SXFCEWMMTCLWGK-GOSISDBHSA-N 1 1 344.415 0.472 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000285990712 437086599 /nfs/dbraw/zinc/08/65/99/437086599.db2.gz STQMRCCZPWOWQF-UHFFFAOYSA-N 1 1 325.372 0.838 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)O)CC1 ZINC000305783112 437164830 /nfs/dbraw/zinc/16/48/30/437164830.db2.gz VWNCBOKFBQERNH-IKGGRYGDSA-N 1 1 336.480 0.914 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000265769031 437187883 /nfs/dbraw/zinc/18/78/83/437187883.db2.gz IMXBWAQAWKOCJV-CYBMUJFWSA-N 1 1 334.351 0.473 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000277242678 437202600 /nfs/dbraw/zinc/20/26/00/437202600.db2.gz UUKUYMVPOYSJME-UHFFFAOYSA-N 1 1 332.389 0.198 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)CC1 ZINC000332286836 437210850 /nfs/dbraw/zinc/21/08/50/437210850.db2.gz MILDIGOSGGZJHP-HOTGVXAUSA-N 1 1 347.463 0.874 20 30 ECEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178518616 437218618 /nfs/dbraw/zinc/21/86/18/437218618.db2.gz JIVPKXSSIRKEQD-HNNXBMFYSA-N 1 1 344.415 0.720 20 30 ECEDMO N#CCc1ccc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000332526359 437228485 /nfs/dbraw/zinc/22/84/85/437228485.db2.gz NIXVUDDRSZMGGH-UHFFFAOYSA-N 1 1 342.443 0.729 20 30 ECEDMO C#CCN(CC)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000266756302 437237581 /nfs/dbraw/zinc/23/75/81/437237581.db2.gz OXRXYVNNTUJWQH-UHFFFAOYSA-N 1 1 330.388 0.607 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)N(C)C[C@H](C)C#N)[C@H]2C1 ZINC000332660400 437241143 /nfs/dbraw/zinc/24/11/43/437241143.db2.gz CIMOMVPKMFRFFV-HZSPNIEDSA-N 1 1 330.454 0.118 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC000328733231 437258075 /nfs/dbraw/zinc/25/80/75/437258075.db2.gz XYASRLMQPFIESQ-UONOGXRCSA-N 1 1 326.441 0.420 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000266881044 437260026 /nfs/dbraw/zinc/26/00/26/437260026.db2.gz AEIDRIRTZVHMEV-UHFFFAOYSA-N 1 1 329.408 0.198 20 30 ECEDMO C=CCCCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000288280829 437303141 /nfs/dbraw/zinc/30/31/41/437303141.db2.gz ZZEYHKUOVJQZDN-KRWDZBQOSA-N 1 1 345.443 0.952 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cnc3n[nH]nc3c2)CC1 ZINC000329112961 437320680 /nfs/dbraw/zinc/32/06/80/437320680.db2.gz KZOJXYOAIUJPCN-LBPRGKRZSA-N 1 1 331.424 0.931 20 30 ECEDMO CS(=O)(=O)N1CC[C@H](CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000328838625 437270485 /nfs/dbraw/zinc/27/04/85/437270485.db2.gz YGYPRRGYUZKGBU-QWHCGFSZSA-N 1 1 344.481 0.256 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCN(Cc3cnc[nH]3)CC2)cc1 ZINC000179759112 437273313 /nfs/dbraw/zinc/27/33/13/437273313.db2.gz JFOLUYVUCSZOGL-UHFFFAOYSA-N 1 1 331.401 0.788 20 30 ECEDMO CCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000328852067 437273459 /nfs/dbraw/zinc/27/34/59/437273459.db2.gz ZYGDBMXTWCZBGA-CYBMUJFWSA-N 1 1 344.481 0.541 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000328866103 437275490 /nfs/dbraw/zinc/27/54/90/437275490.db2.gz GNKPBADJCAXBQH-HUUCEWRRSA-N 1 1 336.436 0.651 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000328866103 437275494 /nfs/dbraw/zinc/27/54/94/437275494.db2.gz GNKPBADJCAXBQH-HUUCEWRRSA-N 1 1 336.436 0.651 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329243736 437341067 /nfs/dbraw/zinc/34/10/67/437341067.db2.gz PHCMIYRUPQASFZ-HZSPNIEDSA-N 1 1 325.409 0.444 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329245381 437341339 /nfs/dbraw/zinc/34/13/39/437341339.db2.gz VEEKLANVOSFQSA-KFWWJZLASA-N 1 1 326.441 0.026 20 30 ECEDMO CC[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000329278095 437346613 /nfs/dbraw/zinc/34/66/13/437346613.db2.gz LXKIICWJKVWFQG-CQSZACIVSA-N 1 1 326.441 0.565 20 30 ECEDMO CS(=O)(=O)N1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329328437 437353668 /nfs/dbraw/zinc/35/36/68/437353668.db2.gz XTOSPOOAMWIDIG-GFCCVEGCSA-N 1 1 330.454 0.104 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000337067381 437325966 /nfs/dbraw/zinc/32/59/66/437325966.db2.gz LRFORUVKDIVFQW-AWEZNQCLSA-N 1 1 346.497 0.491 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000337170270 437338326 /nfs/dbraw/zinc/33/83/26/437338326.db2.gz DZSZFFSPTGJHKB-KGLIPLIRSA-N 1 1 332.470 0.101 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCc2nnnn2-c2ccccc2)C1=O ZINC000337204627 437339587 /nfs/dbraw/zinc/33/95/87/437339587.db2.gz IBFQVHYHDLEIDV-HNNXBMFYSA-N 1 1 326.404 0.924 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCc2nnnn2-c2ccccc2)C1=O ZINC000337204627 437339589 /nfs/dbraw/zinc/33/95/89/437339589.db2.gz IBFQVHYHDLEIDV-HNNXBMFYSA-N 1 1 326.404 0.924 20 30 ECEDMO Cc1nnc(CCNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)s1 ZINC000329749431 437409660 /nfs/dbraw/zinc/40/96/60/437409660.db2.gz UGPXOXHUFCNGQK-AAEUAGOBSA-N 1 1 339.465 0.956 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000329778766 437412513 /nfs/dbraw/zinc/41/25/13/437412513.db2.gz QLQCSBXRLGCVBZ-NEPJUHHUSA-N 1 1 334.424 0.480 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000329778766 437412520 /nfs/dbraw/zinc/41/25/20/437412520.db2.gz QLQCSBXRLGCVBZ-NEPJUHHUSA-N 1 1 334.424 0.480 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000329778766 437412523 /nfs/dbraw/zinc/41/25/23/437412523.db2.gz QLQCSBXRLGCVBZ-NEPJUHHUSA-N 1 1 334.424 0.480 20 30 ECEDMO Cc1nsc(N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)c1C#N ZINC000329799938 437414583 /nfs/dbraw/zinc/41/45/83/437414583.db2.gz YBOVYVIAZBYONN-ZDUSSCGKSA-N 1 1 332.433 0.703 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC[N@H+]1C ZINC000329816069 437416881 /nfs/dbraw/zinc/41/68/81/437416881.db2.gz VSSHOPJDJJPVHG-YRGRVCCFSA-N 1 1 334.424 0.512 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)N(S(C)(=O)=O)C1 ZINC000329869476 437423442 /nfs/dbraw/zinc/42/34/42/437423442.db2.gz YWUDZCKIBJOTDP-KWCYVHTRSA-N 1 1 345.465 0.476 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)N(C(C)=O)C1 ZINC000329875464 437423999 /nfs/dbraw/zinc/42/39/99/437423999.db2.gz GOVQUAYJYIURAU-AEGPPILISA-N 1 1 327.425 0.547 20 30 ECEDMO C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2C[N@@H+](C)CCN2C)C[C@H]1n1ccnc1 ZINC000329910228 437429684 /nfs/dbraw/zinc/42/96/84/437429684.db2.gz VRNMGYSNIPXLGY-BZUAXINKSA-N 1 1 334.468 0.926 20 30 ECEDMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000184318852 437401858 /nfs/dbraw/zinc/40/18/58/437401858.db2.gz NZXJVGNZRIWBMN-OAHLLOKOSA-N 1 1 343.427 0.909 20 30 ECEDMO CN1CCN(C)[C@H](CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000330215123 437470295 /nfs/dbraw/zinc/47/02/95/437470295.db2.gz MEITVRJUISTNKA-OAHLLOKOSA-N 1 1 349.483 0.722 20 30 ECEDMO CN1CCN(C)[C@@H](CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000330215122 437470441 /nfs/dbraw/zinc/47/04/41/437470441.db2.gz MEITVRJUISTNKA-HNNXBMFYSA-N 1 1 349.483 0.722 20 30 ECEDMO CC(C)N1C[C@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000330233247 437472607 /nfs/dbraw/zinc/47/26/07/437472607.db2.gz FXINOMMWHLCMBE-HUUCEWRRSA-N 1 1 339.484 0.383 20 30 ECEDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCO[C@H](CO)C1 ZINC000330245583 437474248 /nfs/dbraw/zinc/47/42/48/437474248.db2.gz KSUNAGLPHBOJSC-KRWDZBQOSA-N 1 1 349.431 0.626 20 30 ECEDMO O=C(N[C@@H]1CCn2ccnc2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330275899 437478011 /nfs/dbraw/zinc/47/80/11/437478011.db2.gz MEDJGOQITRREBB-HUUCEWRRSA-N 1 1 333.436 0.766 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000330319413 437482119 /nfs/dbraw/zinc/48/21/19/437482119.db2.gz RGYAHJCCJPWORS-CQSZACIVSA-N 1 1 338.452 0.756 20 30 ECEDMO CC(C)N1C[C@H](NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1=O ZINC000329975182 437439928 /nfs/dbraw/zinc/43/99/28/437439928.db2.gz DNSJSUKKUPYGEP-HUUCEWRRSA-N 1 1 339.484 0.525 20 30 ECEDMO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000329980894 437440955 /nfs/dbraw/zinc/44/09/55/437440955.db2.gz MFCTUKIMSZLHQJ-ZFWWWQNUSA-N 1 1 349.483 0.951 20 30 ECEDMO CN1CC(=O)N(CC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)C1=O ZINC000330000846 437444365 /nfs/dbraw/zinc/44/43/65/437444365.db2.gz XEUJWROTPQWFGM-UHFFFAOYSA-N 1 1 339.440 0.253 20 30 ECEDMO CC[N@H+]1CC[C@@H]2OCCN(CC(=O)N(CCC#N)CCC#N)[C@H]2C1 ZINC000339375125 437461751 /nfs/dbraw/zinc/46/17/51/437461751.db2.gz BSVXYNXBGUDXEN-HOTGVXAUSA-N 1 1 333.436 0.437 20 30 ECEDMO C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000290083239 437462570 /nfs/dbraw/zinc/46/25/70/437462570.db2.gz OYQDLOUFCWZFNG-CQSZACIVSA-N 1 1 346.431 0.430 20 30 ECEDMO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000330186978 437465623 /nfs/dbraw/zinc/46/56/23/437465623.db2.gz SNSLVMISVNRINT-SOUVJXGZSA-N 1 1 327.425 0.501 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000330377386 437494954 /nfs/dbraw/zinc/49/49/54/437494954.db2.gz FGKBSVWWENKWBB-KBPBESRZSA-N 1 1 332.470 0.365 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(N(C)S(=O)(=O)CC)CC2)C1=O ZINC000330398007 437500042 /nfs/dbraw/zinc/50/00/42/437500042.db2.gz SNCLNHOUUUGQCS-CQSZACIVSA-N 1 1 329.466 0.519 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339723823 437500662 /nfs/dbraw/zinc/50/06/62/437500662.db2.gz MBEQHFWANDWFRC-HNNXBMFYSA-N 1 1 325.453 0.884 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cn2)C1 ZINC000339845283 437504962 /nfs/dbraw/zinc/50/49/62/437504962.db2.gz DTDPAUZCMAWJCK-CQSZACIVSA-N 1 1 345.403 0.365 20 30 ECEDMO C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NCCCCC#N)CC2)CCO1 ZINC000343146341 437514847 /nfs/dbraw/zinc/51/48/47/437514847.db2.gz YYCDPMIHDVNTBX-AWEZNQCLSA-N 1 1 336.436 0.508 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000188157990 437530997 /nfs/dbraw/zinc/53/09/97/437530997.db2.gz HUVOYFIBRMRDNC-UHFFFAOYSA-N 1 1 330.388 0.644 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000188157990 437531002 /nfs/dbraw/zinc/53/10/02/437531002.db2.gz HUVOYFIBRMRDNC-UHFFFAOYSA-N 1 1 330.388 0.644 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000330519598 437537263 /nfs/dbraw/zinc/53/72/63/437537263.db2.gz HMTNRKMLZIBHPF-RWMBFGLXSA-N 1 1 340.424 0.042 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(c2[nH+]ccn2C)CC1 ZINC000330523837 437538361 /nfs/dbraw/zinc/53/83/61/437538361.db2.gz PKBGMLXEUWFDQD-WMLDXEAASA-N 1 1 332.452 0.985 20 30 ECEDMO CC(C)[C@@H](CNC(=O)C(=O)N1CCC(C#N)CC1)[NH+]1CCN(C)CC1 ZINC000340002748 437544738 /nfs/dbraw/zinc/54/47/38/437544738.db2.gz PNQYKRZKELRFBR-MRXNPFEDSA-N 1 1 349.479 0.137 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000330544681 437547491 /nfs/dbraw/zinc/54/74/91/437547491.db2.gz BQLTXWMYKYBHAP-KRWDZBQOSA-N 1 1 336.436 0.198 20 30 ECEDMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000330575554 437555966 /nfs/dbraw/zinc/55/59/66/437555966.db2.gz MAYGMVLEKDBPCW-MELADBBJSA-N 1 1 326.441 0.610 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(OCC(=O)OC)cc1 ZINC000360309434 437580822 /nfs/dbraw/zinc/58/08/22/437580822.db2.gz LUZMDDKKRONYSW-UHFFFAOYSA-N 1 1 349.387 0.682 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(OCC(=O)OC)cc1 ZINC000360309434 437580827 /nfs/dbraw/zinc/58/08/27/437580827.db2.gz LUZMDDKKRONYSW-UHFFFAOYSA-N 1 1 349.387 0.682 20 30 ECEDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000340151812 437585894 /nfs/dbraw/zinc/58/58/94/437585894.db2.gz MYTHFLODARIIRK-MRXNPFEDSA-N 1 1 328.416 0.973 20 30 ECEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000340151812 437585899 /nfs/dbraw/zinc/58/58/99/437585899.db2.gz MYTHFLODARIIRK-MRXNPFEDSA-N 1 1 328.416 0.973 20 30 ECEDMO CC[N@H+]1CCC[C@@H](NC(=O)NCC2(C(=O)OC)CCOCC2)C1 ZINC000330843261 437630458 /nfs/dbraw/zinc/63/04/58/437630458.db2.gz XCJBCSTZIZJPHP-CYBMUJFWSA-N 1 1 327.425 0.944 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000360926023 437651969 /nfs/dbraw/zinc/65/19/69/437651969.db2.gz YRHVWQYMVOSYCV-OAHLLOKOSA-N 1 1 341.452 0.265 20 30 ECEDMO CCCCNC(=O)NC(=O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000330939292 437654522 /nfs/dbraw/zinc/65/45/22/437654522.db2.gz BRAKECAFUCCTND-UHFFFAOYSA-N 1 1 348.469 0.173 20 30 ECEDMO C=C(C)COCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000354888917 437655791 /nfs/dbraw/zinc/65/57/91/437655791.db2.gz JPRBQLLZQCOWSV-UHFFFAOYSA-N 1 1 326.441 0.385 20 30 ECEDMO CC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192374257 437673944 /nfs/dbraw/zinc/67/39/44/437673944.db2.gz ZDWYBGJIYDBPJR-MRXNPFEDSA-N 1 1 343.431 0.910 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000192520702 437679335 /nfs/dbraw/zinc/67/93/35/437679335.db2.gz CYLFPGBSSISRKI-GASCZTMLSA-N 1 1 347.440 0.232 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000331092071 437687841 /nfs/dbraw/zinc/68/78/41/437687841.db2.gz IRJSBWCFQHAMJK-UONOGXRCSA-N 1 1 330.450 0.898 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000362294237 437729757 /nfs/dbraw/zinc/72/97/57/437729757.db2.gz SEAMKVHARPSSRY-SJORKVTESA-N 1 1 341.411 0.664 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccnc(C#N)c2)CC1 ZINC000356007862 437742197 /nfs/dbraw/zinc/74/21/97/437742197.db2.gz ICMDSYGTTDPSMP-HNNXBMFYSA-N 1 1 327.388 0.332 20 30 ECEDMO CN(C)c1nc(N2CCN(C(=O)c3ccnc(C#N)c3)CC2)cc[nH+]1 ZINC000356177204 437753759 /nfs/dbraw/zinc/75/37/59/437753759.db2.gz YKCCXLGLXHYQMU-UHFFFAOYSA-N 1 1 337.387 0.772 20 30 ECEDMO Cn1ncc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1C#N ZINC000356741416 437821154 /nfs/dbraw/zinc/82/11/54/437821154.db2.gz RWBHXTBEXJMJDD-OAHLLOKOSA-N 1 1 339.399 0.788 20 30 ECEDMO C[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000346293302 437807480 /nfs/dbraw/zinc/80/74/80/437807480.db2.gz BRUXAVFVHLHKQR-HNNXBMFYSA-N 1 1 335.429 0.541 20 30 ECEDMO Cc1cc[nH+]c(N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c1 ZINC000347632731 437920635 /nfs/dbraw/zinc/92/06/35/437920635.db2.gz LCSOPBYQTGOQIQ-UHFFFAOYSA-N 1 1 340.391 0.385 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000341890108 437921318 /nfs/dbraw/zinc/92/13/18/437921318.db2.gz GGMNYDLPZILTAO-AWEZNQCLSA-N 1 1 333.502 0.138 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000341890108 437921323 /nfs/dbraw/zinc/92/13/23/437921323.db2.gz GGMNYDLPZILTAO-AWEZNQCLSA-N 1 1 333.502 0.138 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000356984545 437881506 /nfs/dbraw/zinc/88/15/06/437881506.db2.gz VBTYPUHKELIEQD-ZDUSSCGKSA-N 1 1 330.454 0.152 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000342152917 437973440 /nfs/dbraw/zinc/97/34/40/437973440.db2.gz BGWTUMKEUXLHMY-ARFHVFGLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000371735118 437985244 /nfs/dbraw/zinc/98/52/44/437985244.db2.gz ISHQYXKZNAKDIQ-CYBMUJFWSA-N 1 1 329.466 0.903 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425312323 438021812 /nfs/dbraw/zinc/02/18/12/438021812.db2.gz GPRZASYIAWDNTO-CQSZACIVSA-N 1 1 325.453 0.884 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000372024374 438024401 /nfs/dbraw/zinc/02/44/01/438024401.db2.gz FQKBVFAPTBUHEM-CYBMUJFWSA-N 1 1 348.407 0.464 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000372024374 438024409 /nfs/dbraw/zinc/02/44/09/438024409.db2.gz FQKBVFAPTBUHEM-CYBMUJFWSA-N 1 1 348.407 0.464 20 30 ECEDMO C=CCCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000342512130 438024833 /nfs/dbraw/zinc/02/48/33/438024833.db2.gz PJHPFFHYBBRJFB-INIZCTEOSA-N 1 1 336.480 0.697 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC000426163288 438048057 /nfs/dbraw/zinc/04/80/57/438048057.db2.gz VYBJYNWVLLCAGT-YGRLFVJLSA-N 1 1 346.353 0.795 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000430389017 438111557 /nfs/dbraw/zinc/11/15/57/438111557.db2.gz ZBLKREAYKONVOJ-HOTGVXAUSA-N 1 1 337.464 0.884 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)nn1CCC#N ZINC000373178555 438131744 /nfs/dbraw/zinc/13/17/44/438131744.db2.gz LYXWQJJICNTWMF-KBPBESRZSA-N 1 1 344.419 0.596 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)C1=O ZINC000366849734 438134553 /nfs/dbraw/zinc/13/45/53/438134553.db2.gz JBMLSWZRZJNDPX-HNNXBMFYSA-N 1 1 343.431 0.480 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(c3ncccc3C(N)=O)CC2)C1=O ZINC000366849734 438134558 /nfs/dbraw/zinc/13/45/58/438134558.db2.gz JBMLSWZRZJNDPX-HNNXBMFYSA-N 1 1 343.431 0.480 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)C1=O ZINC000366898246 438142070 /nfs/dbraw/zinc/14/20/70/438142070.db2.gz UMPSIFBLMKZWMI-ZNMIVQPWSA-N 1 1 345.447 0.783 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000367131366 438169611 /nfs/dbraw/zinc/16/96/11/438169611.db2.gz QFCUUQDUQAWLDT-LSDHHAIUSA-N 1 1 344.481 0.509 20 30 ECEDMO Cc1nn(C)c(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1C#N ZINC000350704142 438227370 /nfs/dbraw/zinc/22/73/70/438227370.db2.gz WDHYANIRMQTVAO-UHFFFAOYSA-N 1 1 326.408 0.783 20 30 ECEDMO C[NH+](C)[C@@H](CNC(=O)NCC(=O)NCC#N)c1ccccc1Cl ZINC000358317056 438198276 /nfs/dbraw/zinc/19/82/76/438198276.db2.gz UEQWFYZDRYPEPH-ZDUSSCGKSA-N 1 1 337.811 0.882 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000374310848 438201770 /nfs/dbraw/zinc/20/17/70/438201770.db2.gz QNGCJBBSRMYHNM-KGLIPLIRSA-N 1 1 335.408 0.320 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000374458293 438211420 /nfs/dbraw/zinc/21/14/20/438211420.db2.gz JJYRURZVSBWFQA-AAEUAGOBSA-N 1 1 325.438 0.822 20 30 ECEDMO C=C(C)CS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000375643396 438260290 /nfs/dbraw/zinc/26/02/90/438260290.db2.gz SITPKYFVIQQKBK-AGUYFDCRSA-N 1 1 329.466 0.566 20 30 ECEDMO C=C(C)CS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000375643396 438260294 /nfs/dbraw/zinc/26/02/94/438260294.db2.gz SITPKYFVIQQKBK-AGUYFDCRSA-N 1 1 329.466 0.566 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000376300572 438277191 /nfs/dbraw/zinc/27/71/91/438277191.db2.gz KAROZBJESPUXAE-GOEBONIOSA-N 1 1 343.431 0.978 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000376382482 438281262 /nfs/dbraw/zinc/28/12/62/438281262.db2.gz MJNSBJGTXLCUDR-MRXNPFEDSA-N 1 1 343.431 0.490 20 30 ECEDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)N(CCC#N)CCOC ZINC000368144450 438292769 /nfs/dbraw/zinc/29/27/69/438292769.db2.gz ZGIQXMUAQQOEDT-CQSZACIVSA-N 1 1 332.470 0.509 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(C#N)ccc2=O)C1 ZINC000419024388 438292892 /nfs/dbraw/zinc/29/28/92/438292892.db2.gz KSDOFQSGEYQCIE-OAHLLOKOSA-N 1 1 332.404 0.193 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000377751414 438327399 /nfs/dbraw/zinc/32/73/99/438327399.db2.gz XHXVLGCJTQURGA-INIZCTEOSA-N 1 1 348.472 0.959 20 30 ECEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCC(=O)NCC#N ZINC000377084184 438302213 /nfs/dbraw/zinc/30/22/13/438302213.db2.gz URZTUPOBQBKHRD-HNNXBMFYSA-N 1 1 343.431 0.932 20 30 ECEDMO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000435770833 438384594 /nfs/dbraw/zinc/38/45/94/438384594.db2.gz QZLXIERKFWOARI-CQSZACIVSA-N 1 1 347.444 0.967 20 30 ECEDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000435770833 438384597 /nfs/dbraw/zinc/38/45/97/438384597.db2.gz QZLXIERKFWOARI-CQSZACIVSA-N 1 1 347.444 0.967 20 30 ECEDMO Cc1cc(NC(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nn1CCC#N ZINC000378520522 438396967 /nfs/dbraw/zinc/39/69/67/438396967.db2.gz NYJNHWHWWCROSJ-CABCVRRESA-N 1 1 346.435 1.480 20 30 ECEDMO Cc1cc(NC(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)nn1CCC#N ZINC000378520522 438396972 /nfs/dbraw/zinc/39/69/72/438396972.db2.gz NYJNHWHWWCROSJ-CABCVRRESA-N 1 1 346.435 1.480 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420370834 438402435 /nfs/dbraw/zinc/40/24/35/438402435.db2.gz CXMLCLUIMAEPOC-AEGPPILISA-N 1 1 338.452 0.605 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000407976485 438476259 /nfs/dbraw/zinc/47/62/59/438476259.db2.gz UHLCZQDXCLMGBG-CHWSQXEVSA-N 1 1 332.470 0.242 20 30 ECEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)CCC(N)=O ZINC000353197009 438502617 /nfs/dbraw/zinc/50/26/17/438502617.db2.gz FCGUWRNVXFXYHP-UHFFFAOYSA-N 1 1 349.435 0.759 20 30 ECEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)CCC(N)=O ZINC000353197009 438502624 /nfs/dbraw/zinc/50/26/24/438502624.db2.gz FCGUWRNVXFXYHP-UHFFFAOYSA-N 1 1 349.435 0.759 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000439591480 438519422 /nfs/dbraw/zinc/51/94/22/438519422.db2.gz FIEXHBWVZOPIHU-AWEZNQCLSA-N 1 1 344.419 0.969 20 30 ECEDMO Cc1onc(CC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1C#N ZINC000408148572 438522820 /nfs/dbraw/zinc/52/28/20/438522820.db2.gz CFDHQESCCWEHAG-HNNXBMFYSA-N 1 1 345.403 0.162 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000441221496 438580143 /nfs/dbraw/zinc/58/01/43/438580143.db2.gz AFBHYBHMEUHHHS-MRRJBJDNSA-N 1 1 339.436 0.675 20 30 ECEDMO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)N(CCC#N)CCOC ZINC000451931606 438618187 /nfs/dbraw/zinc/61/81/87/438618187.db2.gz LKXPLJAWPDWPBI-CQSZACIVSA-N 1 1 332.470 0.509 20 30 ECEDMO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)N(CCC#N)CCOC ZINC000451931606 438618192 /nfs/dbraw/zinc/61/81/92/438618192.db2.gz LKXPLJAWPDWPBI-CQSZACIVSA-N 1 1 332.470 0.509 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000444381742 438660039 /nfs/dbraw/zinc/66/00/39/438660039.db2.gz CMFLACCTJPWDEA-DYVFJYSZSA-N 1 1 339.436 0.773 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000410805477 438660579 /nfs/dbraw/zinc/66/05/79/438660579.db2.gz CYQWUZUQGOKGHY-UHFFFAOYSA-N 1 1 325.453 0.838 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000412069746 438685555 /nfs/dbraw/zinc/68/55/55/438685555.db2.gz HYXVACDXMDSHBI-CHWSQXEVSA-N 1 1 327.450 0.833 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000412069746 438685559 /nfs/dbraw/zinc/68/55/59/438685559.db2.gz HYXVACDXMDSHBI-CHWSQXEVSA-N 1 1 327.450 0.833 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411982817 438686289 /nfs/dbraw/zinc/68/62/89/438686289.db2.gz PTLBMWCXXGSWPN-CVEARBPZSA-N 1 1 328.416 0.949 20 30 ECEDMO N#CCC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000450124415 438689091 /nfs/dbraw/zinc/68/90/91/438689091.db2.gz BGTGUZATOLUTAZ-INIZCTEOSA-N 1 1 326.400 0.845 20 30 ECEDMO N#CCC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000450124415 438689093 /nfs/dbraw/zinc/68/90/93/438689093.db2.gz BGTGUZATOLUTAZ-INIZCTEOSA-N 1 1 326.400 0.845 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000575409706 438748821 /nfs/dbraw/zinc/74/88/21/438748821.db2.gz WJUBNRAHEHTCRW-OAHLLOKOSA-N 1 1 334.376 0.591 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000575409706 438748822 /nfs/dbraw/zinc/74/88/22/438748822.db2.gz WJUBNRAHEHTCRW-OAHLLOKOSA-N 1 1 334.376 0.591 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000507244040 438807487 /nfs/dbraw/zinc/80/74/87/438807487.db2.gz PPEIFAWTZPECEU-NSHDSACASA-N 1 1 328.294 0.331 20 30 ECEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588123926 438819970 /nfs/dbraw/zinc/81/99/70/438819970.db2.gz OZEPVLVOGGZCBJ-MRXNPFEDSA-N 1 1 349.479 0.471 20 30 ECEDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC[C@@H]21 ZINC000588129009 438821066 /nfs/dbraw/zinc/82/10/66/438821066.db2.gz XRZZMHQIWYWOIP-HOCLYGCPSA-N 1 1 347.463 0.033 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595551620 438822892 /nfs/dbraw/zinc/82/28/92/438822892.db2.gz JGLOFWXQOQRQQG-RHSMWYFYSA-N 1 1 335.452 0.874 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](Nc2cc(C)ncc2C#N)CC1=O ZINC000601177968 438826989 /nfs/dbraw/zinc/82/69/89/438826989.db2.gz GKZGWOQLKMAFDJ-OAHLLOKOSA-N 1 1 331.420 0.275 20 30 ECEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@H]1C ZINC000601466273 438905303 /nfs/dbraw/zinc/90/53/03/438905303.db2.gz ZDGDZDDPUPNCNG-JKSUJKDBSA-N 1 1 349.479 0.375 20 30 ECEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CCC#N)CC2)[C@@H](C)C1 ZINC000601465478 438905474 /nfs/dbraw/zinc/90/54/74/438905474.db2.gz TVRWDXBDPMWNEE-JKSUJKDBSA-N 1 1 349.479 0.233 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000589408536 438870917 /nfs/dbraw/zinc/87/09/17/438870917.db2.gz YTZNAKVSYZXMCX-QMTHXVAHSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000589408536 438870923 /nfs/dbraw/zinc/87/09/23/438870923.db2.gz YTZNAKVSYZXMCX-QMTHXVAHSA-N 1 1 334.351 0.471 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1c(C)cc(F)cc1C#N ZINC000601394321 438873610 /nfs/dbraw/zinc/87/36/10/438873610.db2.gz QSQLGOOXUHLYEO-UHFFFAOYSA-N 1 1 329.397 0.598 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)CC1 ZINC000595875562 438877525 /nfs/dbraw/zinc/87/75/25/438877525.db2.gz QUGFJYUJMYTTGG-SOLBZPMBSA-N 1 1 336.480 0.629 20 30 ECEDMO CCc1nc(C#N)cc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC000596174880 438935848 /nfs/dbraw/zinc/93/58/48/438935848.db2.gz NENLSZVDBYGISE-AWEZNQCLSA-N 1 1 328.420 0.829 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(=O)NCC#N ZINC000601632017 438945296 /nfs/dbraw/zinc/94/52/96/438945296.db2.gz JRVOYXKTEPUSJF-GOEBONIOSA-N 1 1 343.431 0.693 20 30 ECEDMO Cn1c(N2CC[N@@H+](C)C3(CCCCC3)C2)c(C#N)c(=O)n(C)c1=O ZINC000596251338 438946403 /nfs/dbraw/zinc/94/64/03/438946403.db2.gz RAGYZNFOMAWEQH-UHFFFAOYSA-N 1 1 331.420 0.410 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H]3CCCOC3)CC2)o1 ZINC000520625749 439091363 /nfs/dbraw/zinc/09/13/63/439091363.db2.gz DVIXAVCGCJZHQO-AWEZNQCLSA-N 1 1 347.419 0.614 20 30 ECEDMO N#CCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000566494078 439064891 /nfs/dbraw/zinc/06/48/91/439064891.db2.gz HRVXWZUILOHGMY-CVEARBPZSA-N 1 1 337.445 0.702 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597290776 439071223 /nfs/dbraw/zinc/07/12/23/439071223.db2.gz ZVQXYTSSZGRZHV-UHFFFAOYSA-N 1 1 338.452 0.661 20 30 ECEDMO CN1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000591739458 439077691 /nfs/dbraw/zinc/07/76/91/439077691.db2.gz VZBCWUFHTHREDX-QGZVFWFLSA-N 1 1 346.475 0.914 20 30 ECEDMO C[N@@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](CO)C1 ZINC000602906938 439158313 /nfs/dbraw/zinc/15/83/13/439158313.db2.gz VICQYQGLLRTCET-IAGOWNOFSA-N 1 1 328.416 0.662 20 30 ECEDMO C[N@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](CO)C1 ZINC000602906938 439158319 /nfs/dbraw/zinc/15/83/19/439158319.db2.gz VICQYQGLLRTCET-IAGOWNOFSA-N 1 1 328.416 0.662 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3ccc(CC#N)cc3)[C@@H]2C1 ZINC000581130145 439173969 /nfs/dbraw/zinc/17/39/69/439173969.db2.gz IGPXRDADAXUZAH-IAGOWNOFSA-N 1 1 340.427 0.921 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602923843 439161785 /nfs/dbraw/zinc/16/17/85/439161785.db2.gz JTHAMNNHTCMGQJ-BPLDGKMQSA-N 1 1 333.388 0.511 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602923843 439161789 /nfs/dbraw/zinc/16/17/89/439161789.db2.gz JTHAMNNHTCMGQJ-BPLDGKMQSA-N 1 1 333.388 0.511 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000490637038 439281558 /nfs/dbraw/zinc/28/15/58/439281558.db2.gz PHUYSVIOBWRLHV-ZDUSSCGKSA-N 1 1 335.429 0.374 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000490637038 439281563 /nfs/dbraw/zinc/28/15/63/439281563.db2.gz PHUYSVIOBWRLHV-ZDUSSCGKSA-N 1 1 335.429 0.374 20 30 ECEDMO N#Cc1ccc(C[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C2CC2)cc1 ZINC000598586316 439282030 /nfs/dbraw/zinc/28/20/30/439282030.db2.gz FOSDTOVDUGHONS-UHFFFAOYSA-N 1 1 335.371 0.866 20 30 ECEDMO N#Cc1ccc(C[N@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C2CC2)cc1 ZINC000598586316 439282034 /nfs/dbraw/zinc/28/20/34/439282034.db2.gz FOSDTOVDUGHONS-UHFFFAOYSA-N 1 1 335.371 0.866 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000603401037 439256971 /nfs/dbraw/zinc/25/69/71/439256971.db2.gz DPGOXHDWUYQXFM-CQSZACIVSA-N 1 1 331.486 0.082 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)n(CCC#N)n1 ZINC000527149801 439257264 /nfs/dbraw/zinc/25/72/64/439257264.db2.gz OMNKKJBJMRQOSJ-OLZOCXBDSA-N 1 1 332.408 0.595 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)n(CCC#N)n1 ZINC000527149801 439257268 /nfs/dbraw/zinc/25/72/68/439257268.db2.gz OMNKKJBJMRQOSJ-OLZOCXBDSA-N 1 1 332.408 0.595 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)C1CC1 ZINC000581840052 439257888 /nfs/dbraw/zinc/25/78/88/439257888.db2.gz CHQWMSJUAZJELL-ROUUACIJSA-N 1 1 348.447 0.244 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)C1CC1 ZINC000581840052 439257892 /nfs/dbraw/zinc/25/78/92/439257892.db2.gz CHQWMSJUAZJELL-ROUUACIJSA-N 1 1 348.447 0.244 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528405011 439334379 /nfs/dbraw/zinc/33/43/79/439334379.db2.gz PWGRBRNSTFVCPD-KGLIPLIRSA-N 1 1 331.420 0.525 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528405011 439334384 /nfs/dbraw/zinc/33/43/84/439334384.db2.gz PWGRBRNSTFVCPD-KGLIPLIRSA-N 1 1 331.420 0.525 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1 ZINC000490656395 439285782 /nfs/dbraw/zinc/28/57/82/439285782.db2.gz JKFUEKWVDRKBMP-CQSZACIVSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000490675966 439287920 /nfs/dbraw/zinc/28/79/20/439287920.db2.gz GFZFLSWXDKKMIJ-AWEZNQCLSA-N 1 1 349.456 0.670 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000490761024 439296647 /nfs/dbraw/zinc/29/66/47/439296647.db2.gz QUDZOWTXLPDZOM-GOSISDBHSA-N 1 1 332.492 0.428 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)COC[C@@H]3CCCO3)C2)nc1 ZINC000582158367 439297584 /nfs/dbraw/zinc/29/75/84/439297584.db2.gz YYMPFJRBXQYVJM-BBWFWOEESA-N 1 1 347.415 0.963 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)COC[C@H]3CCCO3)C2)nc1 ZINC000582158368 439297930 /nfs/dbraw/zinc/29/79/30/439297930.db2.gz YYMPFJRBXQYVJM-BRWVUGGUSA-N 1 1 347.415 0.963 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)CC1 ZINC000490779927 439298964 /nfs/dbraw/zinc/29/89/64/439298964.db2.gz CKFRXRUEWYMEHQ-MRXNPFEDSA-N 1 1 329.448 0.062 20 30 ECEDMO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)S(C)(=O)=O ZINC000582236791 439306658 /nfs/dbraw/zinc/30/66/58/439306658.db2.gz MYDXGIJGGRJOLD-NSHDSACASA-N 1 1 330.431 0.355 20 30 ECEDMO COC(=O)c1ccc(N2CC(CN3CC[NH+](C)CC3)C2)c(C#N)n1 ZINC000599109326 439360728 /nfs/dbraw/zinc/36/07/28/439360728.db2.gz UASYXBYGXKJDIR-UHFFFAOYSA-N 1 1 329.404 0.423 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000491296710 439362213 /nfs/dbraw/zinc/36/22/13/439362213.db2.gz MWBVOZSDDRLKJT-OAHLLOKOSA-N 1 1 337.464 0.673 20 30 ECEDMO C#CCn1ccc(CN(CC)C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000491285820 439363612 /nfs/dbraw/zinc/36/36/12/439363612.db2.gz FQQNYPYGLUWTNX-JZXOWHBKSA-N 1 1 334.464 0.808 20 30 ECEDMO C#CCn1ccc(CN(CC)C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000491285820 439363616 /nfs/dbraw/zinc/36/36/16/439363616.db2.gz FQQNYPYGLUWTNX-JZXOWHBKSA-N 1 1 334.464 0.808 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000491298563 439364938 /nfs/dbraw/zinc/36/49/38/439364938.db2.gz VWLQSEBSFPVSTH-MRXNPFEDSA-N 1 1 348.451 0.260 20 30 ECEDMO C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CC2)CCN1C(=O)c1cnn(C)c1 ZINC000528515125 439344687 /nfs/dbraw/zinc/34/46/87/439344687.db2.gz DZHHJPNTBUTYJJ-DZGCQCFKSA-N 1 1 331.420 0.621 20 30 ECEDMO C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CC2)CCN1C(=O)c1cnn(C)c1 ZINC000528515125 439344691 /nfs/dbraw/zinc/34/46/91/439344691.db2.gz DZHHJPNTBUTYJJ-DZGCQCFKSA-N 1 1 331.420 0.621 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000491209471 439347862 /nfs/dbraw/zinc/34/78/62/439347862.db2.gz HQZJGPGMXWSSJD-UHFFFAOYSA-N 1 1 346.406 0.521 20 30 ECEDMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1C1CC1 ZINC000593129585 439348603 /nfs/dbraw/zinc/34/86/03/439348603.db2.gz QWKLHDUCJLZNRL-LSDHHAIUSA-N 1 1 332.404 0.773 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000491494233 439394217 /nfs/dbraw/zinc/39/42/17/439394217.db2.gz BLJRBTOLEPBRGJ-XJKSGUPXSA-N 1 1 331.420 0.011 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593541500 439398572 /nfs/dbraw/zinc/39/85/72/439398572.db2.gz CDIJOUUIZPFQCH-UHFFFAOYSA-N 1 1 326.378 0.919 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C1CCCC1 ZINC000491427211 439381753 /nfs/dbraw/zinc/38/17/53/439381753.db2.gz JKMVROCKFCGHLT-OAHLLOKOSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C1CCCC1 ZINC000491427211 439381757 /nfs/dbraw/zinc/38/17/57/439381757.db2.gz JKMVROCKFCGHLT-OAHLLOKOSA-N 1 1 349.475 0.694 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000593597847 439418606 /nfs/dbraw/zinc/41/86/06/439418606.db2.gz LWRBJEAHDLJBPS-JSGCOSHPSA-N 1 1 349.412 0.669 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000491785760 439452066 /nfs/dbraw/zinc/45/20/66/439452066.db2.gz NOCUQTFHMBHBCZ-JKSUJKDBSA-N 1 1 333.436 0.813 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)/C=C\c2ccc(OCC(N)=O)cc2)CC1 ZINC000491829353 439459412 /nfs/dbraw/zinc/45/94/12/439459412.db2.gz ZBRMDIKPVNTHKL-TWGQIWQCSA-N 1 1 341.411 0.731 20 30 ECEDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599434732 439467470 /nfs/dbraw/zinc/46/74/70/439467470.db2.gz GWAPCYWXILJOER-GJZGRUSLSA-N 1 1 338.452 0.793 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC(C)(C)c1nocc1C(=O)OC ZINC000491817709 439458808 /nfs/dbraw/zinc/45/88/08/439458808.db2.gz ZJZAMCRLRRZCLM-UHFFFAOYSA-N 1 1 336.392 0.951 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N2Cc3ccc(C#N)cc3C2)CC1 ZINC000594217620 439528428 /nfs/dbraw/zinc/52/84/28/439528428.db2.gz WUVFHZBZJGNCHE-UHFFFAOYSA-N 1 1 341.415 0.794 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000594392449 439554356 /nfs/dbraw/zinc/55/43/56/439554356.db2.gz GTDSDIVELCNQHW-KSZLIROESA-N 1 1 340.427 0.804 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609531344 439573996 /nfs/dbraw/zinc/57/39/96/439573996.db2.gz QUFVLYJHXBTIJZ-ROUUACIJSA-N 1 1 341.459 0.889 20 30 ECEDMO COc1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(F)cc1C#N ZINC000599975381 439588953 /nfs/dbraw/zinc/58/89/53/439588953.db2.gz QWFZMKNEBXCPCZ-QMTHXVAHSA-N 1 1 346.362 0.807 20 30 ECEDMO N#Cc1cc(F)ccc1CS(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000594780428 439609477 /nfs/dbraw/zinc/60/94/77/439609477.db2.gz JUVRAILAMYKCNJ-UHFFFAOYSA-N 1 1 341.408 0.573 20 30 ECEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H](O)C1)CCC2 ZINC000610614872 439631620 /nfs/dbraw/zinc/63/16/20/439631620.db2.gz VDXPWUTXXRKAOC-PHIMTYICSA-N 1 1 335.429 0.865 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600765770 439700946 /nfs/dbraw/zinc/70/09/46/439700946.db2.gz MXCWORMRDKZMGT-UKRRQHHQSA-N 1 1 338.452 0.477 20 30 ECEDMO CO[C@H](C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)[C@H]1CCOC1 ZINC000595337884 439706976 /nfs/dbraw/zinc/70/69/76/439706976.db2.gz CIODJOYIJUTIOR-OFQRWUPVSA-N 1 1 331.420 0.910 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595384341 439718116 /nfs/dbraw/zinc/71/81/16/439718116.db2.gz IYODCPXAXQASDW-HNNXBMFYSA-N 1 1 335.429 0.778 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000595385023 439718762 /nfs/dbraw/zinc/71/87/62/439718762.db2.gz RTAPEBHJMQRFOZ-AWEZNQCLSA-N 1 1 327.450 0.541 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(CCC(=O)OC)C2=O)C1=O ZINC000595471563 439731414 /nfs/dbraw/zinc/73/14/14/439731414.db2.gz BOXVUSPHGVDZFR-KGLIPLIRSA-N 1 1 337.420 0.259 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(CCC(=O)OC)C2=O)C1=O ZINC000595471563 439731416 /nfs/dbraw/zinc/73/14/16/439731416.db2.gz BOXVUSPHGVDZFR-KGLIPLIRSA-N 1 1 337.420 0.259 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000595490383 439734556 /nfs/dbraw/zinc/73/45/56/439734556.db2.gz ZHFBUDSIZGNFAY-BZNIZROVSA-N 1 1 333.440 1.009 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614895147 439789996 /nfs/dbraw/zinc/78/99/96/439789996.db2.gz CIQDVYBXDDAUQD-UHFFFAOYSA-N 1 1 347.415 0.861 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614895147 439789997 /nfs/dbraw/zinc/78/99/97/439789997.db2.gz CIQDVYBXDDAUQD-UHFFFAOYSA-N 1 1 347.415 0.861 20 30 ECEDMO CC1(C)CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1CCO ZINC000614920650 439790131 /nfs/dbraw/zinc/79/01/31/439790131.db2.gz MFOWHCPXKBFBFV-INIZCTEOSA-N 1 1 333.432 0.686 20 30 ECEDMO CC1(C)C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1CCO ZINC000614920650 439790132 /nfs/dbraw/zinc/79/01/32/439790132.db2.gz MFOWHCPXKBFBFV-INIZCTEOSA-N 1 1 333.432 0.686 20 30 ECEDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1CCO ZINC000614920650 439790133 /nfs/dbraw/zinc/79/01/33/439790133.db2.gz MFOWHCPXKBFBFV-INIZCTEOSA-N 1 1 333.432 0.686 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001041735802 782084514 /nfs/dbraw/zinc/08/45/14/782084514.db2.gz JILXYNFZUDLNDV-GDBMZVCRSA-N 1 1 341.477 0.521 20 30 ECEDMO N#C[C@]1(F)CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000615536832 439802006 /nfs/dbraw/zinc/80/20/06/439802006.db2.gz LFNSHKCRBWPNJM-SWLSCSKDSA-N 1 1 325.388 0.221 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@](F)(C#N)C2)CC1 ZINC000615542904 439801831 /nfs/dbraw/zinc/80/18/31/439801831.db2.gz IVHFZPIWUUDFHM-GDBMZVCRSA-N 1 1 325.432 0.907 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1=O ZINC000654309635 440296867 /nfs/dbraw/zinc/29/68/67/440296867.db2.gz CAMIPBJVMXRGGG-STQMWFEESA-N 1 1 348.403 0.096 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000649188231 440410100 /nfs/dbraw/zinc/41/01/00/440410100.db2.gz HBXJTBLMFMOQEV-MSOLQXFVSA-N 1 1 329.444 0.866 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000649187623 440410637 /nfs/dbraw/zinc/41/06/37/440410637.db2.gz UHGQNWXZGRSCQR-BZUAXINKSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635156604 440768891 /nfs/dbraw/zinc/76/88/91/440768891.db2.gz MESRMZZIJIOPAZ-INIZCTEOSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000657559960 441020947 /nfs/dbraw/zinc/02/09/47/441020947.db2.gz ZNVFAGZPAFFLNU-MRXNPFEDSA-N 1 1 336.480 0.649 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)ncc1C#N ZINC000563373810 322311508 /nfs/dbraw/zinc/31/15/08/322311508.db2.gz KXOWRAZUHXTRBQ-GFCCVEGCSA-N 1 1 327.388 0.801 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000565848923 322482455 /nfs/dbraw/zinc/48/24/55/322482455.db2.gz PTOMQNURECPCQD-UHFFFAOYSA-N 1 1 336.417 0.001 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC001041762352 782149817 /nfs/dbraw/zinc/14/98/17/782149817.db2.gz HZQFYOATRKTJHS-SFHVURJKSA-N 1 1 328.416 0.581 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N1CCn2c(nnc2C2CC2)C1 ZINC000329468813 546025312 /nfs/dbraw/zinc/02/53/12/546025312.db2.gz XORLFYPVACTVLA-UHFFFAOYSA-N 1 1 336.465 0.934 20 30 ECEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000619780595 546368724 /nfs/dbraw/zinc/36/87/24/546368724.db2.gz UPNPBKVXWDNWOK-GJZGRUSLSA-N 1 1 328.482 0.434 20 30 ECEDMO C[C@H](CO)[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@H](C)O ZINC000625358204 547077111 /nfs/dbraw/zinc/07/71/11/547077111.db2.gz IFXRGTLNGMWSJA-KGLIPLIRSA-N 1 1 330.384 0.350 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000625529710 547138778 /nfs/dbraw/zinc/13/87/78/547138778.db2.gz REXBNTWTTMEXPW-HNNXBMFYSA-N 1 1 349.394 0.900 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626034421 547273733 /nfs/dbraw/zinc/27/37/33/547273733.db2.gz ZPTXTQQAJRZNFP-LBPRGKRZSA-N 1 1 332.470 0.057 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000668836372 547763444 /nfs/dbraw/zinc/76/34/44/547763444.db2.gz XOWVDUBIDDPKCK-OAHLLOKOSA-N 1 1 336.480 0.742 20 30 ECEDMO C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000669340311 547879546 /nfs/dbraw/zinc/87/95/46/547879546.db2.gz YNJBZLYNFVPUQB-ZDUSSCGKSA-N 1 1 329.408 0.765 20 30 ECEDMO C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000669340311 547879551 /nfs/dbraw/zinc/87/95/51/547879551.db2.gz YNJBZLYNFVPUQB-ZDUSSCGKSA-N 1 1 329.408 0.765 20 30 ECEDMO C=CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000682868749 549442740 /nfs/dbraw/zinc/44/27/40/549442740.db2.gz MNTAETMLAZWDJP-MRXNPFEDSA-N 1 1 340.468 0.237 20 30 ECEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000751480587 579369680 /nfs/dbraw/zinc/36/96/80/579369680.db2.gz KQOLSUYJLQZRBW-DLBZAZTESA-N 1 1 347.415 0.397 20 30 ECEDMO N#Cc1cc(S(N)(=O)=O)ccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000754787720 579423739 /nfs/dbraw/zinc/42/37/39/579423739.db2.gz ZOOUBOWPTJQFFV-CYBMUJFWSA-N 1 1 336.417 0.117 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 ZINC000757592755 579462412 /nfs/dbraw/zinc/46/24/12/579462412.db2.gz KBIBQZUEZGNJNW-AVGNSLFASA-N 1 1 338.408 0.192 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 ZINC000757592755 579462413 /nfs/dbraw/zinc/46/24/13/579462413.db2.gz KBIBQZUEZGNJNW-AVGNSLFASA-N 1 1 338.408 0.192 20 30 ECEDMO C[NH+]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 ZINC000758769398 579481503 /nfs/dbraw/zinc/48/15/03/579481503.db2.gz IYPIQASFBCWRLY-QWHCGFSZSA-N 1 1 337.424 0.702 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000728860067 578291435 /nfs/dbraw/zinc/29/14/35/578291435.db2.gz JMUYYJAFNOKDLF-UHFFFAOYSA-N 1 1 340.427 0.689 20 30 ECEDMO C#Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)nc1 ZINC000728967056 578292050 /nfs/dbraw/zinc/29/20/50/578292050.db2.gz HGTASGLEYJUVQV-MRXNPFEDSA-N 1 1 328.416 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000730279014 578304538 /nfs/dbraw/zinc/30/45/38/578304538.db2.gz RUGUGYDSCXICEG-AWEZNQCLSA-N 1 1 329.404 0.231 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000730279014 578304539 /nfs/dbraw/zinc/30/45/39/578304539.db2.gz RUGUGYDSCXICEG-AWEZNQCLSA-N 1 1 329.404 0.231 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccnc2)CC1 ZINC000730279067 578304568 /nfs/dbraw/zinc/30/45/68/578304568.db2.gz TUNRLSPORBASRP-INIZCTEOSA-N 1 1 326.400 0.464 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccnc2)CC1 ZINC000730279067 578304570 /nfs/dbraw/zinc/30/45/70/578304570.db2.gz TUNRLSPORBASRP-INIZCTEOSA-N 1 1 326.400 0.464 20 30 ECEDMO C(CN1CCCCC1)NN=C1CC[NH+](CCN2CCOCC2)CC1 ZINC000731558706 578312986 /nfs/dbraw/zinc/31/29/86/578312986.db2.gz GPQOHECXCLKCDM-UHFFFAOYSA-N 1 1 337.512 0.846 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCNc1ccc(C#N)cn1 ZINC000732445905 578325404 /nfs/dbraw/zinc/32/54/04/578325404.db2.gz USIJNDCDTHKJLO-HNNXBMFYSA-N 1 1 346.435 0.775 20 30 ECEDMO COc1c(C)c[nH+]c(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)c1C ZINC000737024354 578474215 /nfs/dbraw/zinc/47/42/15/578474215.db2.gz HADRMPPHSCFBHK-UHFFFAOYSA-N 1 1 325.336 0.586 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](COC)(C(=O)OCC)C1 ZINC000799068142 578656767 /nfs/dbraw/zinc/65/67/67/578656767.db2.gz OSDMOAZYPOANQM-YJBOKZPZSA-N 1 1 336.432 0.902 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](COC)(C(=O)OCC)C1 ZINC000799068142 578656769 /nfs/dbraw/zinc/65/67/69/578656769.db2.gz OSDMOAZYPOANQM-YJBOKZPZSA-N 1 1 336.432 0.902 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)/C=C\c1ccccc1C#N ZINC000799834355 578670929 /nfs/dbraw/zinc/67/09/29/578670929.db2.gz KHQHDEMAVBJXEX-FPLPWBNLSA-N 1 1 326.400 0.804 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000780943908 578703440 /nfs/dbraw/zinc/70/34/40/578703440.db2.gz OLFHOIMGMVSICU-MSOLQXFVSA-N 1 1 342.443 0.830 20 30 ECEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCNc1ncccc1C#N ZINC000787776450 578817042 /nfs/dbraw/zinc/81/70/42/578817042.db2.gz GJPLMPJIFLWPQW-CYBMUJFWSA-N 1 1 346.435 0.328 20 30 ECEDMO C#C[C@H](NCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCCO1 ZINC000775793653 579271352 /nfs/dbraw/zinc/27/13/52/579271352.db2.gz WPERHFJCZOEDAS-IKGGRYGDSA-N 1 1 337.464 0.230 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)[C@@H]1CCCO1 ZINC000775793878 579271389 /nfs/dbraw/zinc/27/13/89/579271389.db2.gz WZOYIZMDEXWLCC-GJZGRUSLSA-N 1 1 341.367 0.621 20 30 ECEDMO C#C[C@H](NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000776106485 579274960 /nfs/dbraw/zinc/27/49/60/579274960.db2.gz BJBFGIRCUMUTRG-YESZJQIVSA-N 1 1 336.480 0.738 20 30 ECEDMO COc1cc(C=NNC2=[NH+]C[C@@H](C)N2)cc(Cl)c1OCC(N)=O ZINC000779798663 579320920 /nfs/dbraw/zinc/32/09/20/579320920.db2.gz DQQHHHGGIHURNE-MRVPVSSYSA-N 1 1 339.783 0.484 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000739816560 579716027 /nfs/dbraw/zinc/71/60/27/579716027.db2.gz JVTCWGQXJWLTSZ-JTQLQIEISA-N 1 1 327.310 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000739816560 579716028 /nfs/dbraw/zinc/71/60/28/579716028.db2.gz JVTCWGQXJWLTSZ-JTQLQIEISA-N 1 1 327.310 0.737 20 30 ECEDMO COCCOCC(C)=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000741161296 579767004 /nfs/dbraw/zinc/76/70/04/579767004.db2.gz NYVFLPNGNNWHJW-UHFFFAOYSA-N 1 1 332.470 0.212 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+](CCC(=O)OC)C1CCOCC1 ZINC000743872512 579802908 /nfs/dbraw/zinc/80/29/08/579802908.db2.gz SAVUCSFHGVIMAP-UHFFFAOYSA-N 1 1 325.409 0.793 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)nc1 ZINC000837569003 588955441 /nfs/dbraw/zinc/95/54/41/588955441.db2.gz XVRUSGXIWSEFTN-HNNXBMFYSA-N 1 1 346.435 0.511 20 30 ECEDMO CCOc1cc(C=NNC2=[NH+]CCN2)ccc1O[C@H](C)C(=O)N(C)C ZINC000841660821 588997039 /nfs/dbraw/zinc/99/70/39/588997039.db2.gz IDOMDMSDFQUPFG-GFCCVEGCSA-N 1 1 347.419 0.824 20 30 ECEDMO CN(CC(C)(C)C[NH+](C)C)C(=O)CCNC(O)=C1N=CC=CC1=O ZINC000890883295 586068581 /nfs/dbraw/zinc/06/85/81/586068581.db2.gz QHKBWCKKTWUVKF-NXVVXOECSA-N 1 1 336.436 0.949 20 30 ECEDMO O=C1[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)CCCN1O ZINC000895157324 586167052 /nfs/dbraw/zinc/16/70/52/586167052.db2.gz APWDKPBCAGPDRR-SNVBAGLBSA-N 1 1 340.181 0.962 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCO[C@](C)(C#N)C1)N1CC[NH+](C)CC1 ZINC000891752761 586193951 /nfs/dbraw/zinc/19/39/51/586193951.db2.gz OMRQLCZDRGZRNV-DOTOQJQBSA-N 1 1 337.468 0.582 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000895915947 586212697 /nfs/dbraw/zinc/21/26/97/586212697.db2.gz PWXINTISHPGYLD-OAHLLOKOSA-N 1 1 349.456 0.638 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)cn3)CC2)CC1 ZINC000896235585 586230458 /nfs/dbraw/zinc/23/04/58/586230458.db2.gz KEYFUBJVSKQZTA-UHFFFAOYSA-N 1 1 342.403 0.078 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3nc(C#N)cs3)C2)CC1 ZINC000893024241 586306800 /nfs/dbraw/zinc/30/68/00/586306800.db2.gz SXJNMPABHGGPLS-GFCCVEGCSA-N 1 1 348.476 0.982 20 30 ECEDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCc3nc(C#N)cs3)C2)CC1 ZINC000893024241 586306802 /nfs/dbraw/zinc/30/68/02/586306802.db2.gz SXJNMPABHGGPLS-GFCCVEGCSA-N 1 1 348.476 0.982 20 30 ECEDMO CCc1nnc(N(C)CC(=O)N2CC[NH+](C)CC2)c(C#N)c1CC ZINC000894957306 586421159 /nfs/dbraw/zinc/42/11/59/586421159.db2.gz FPGUWMKGOXPKEI-UHFFFAOYSA-N 1 1 330.436 0.683 20 30 ECEDMO N#CCOc1ccc(CC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000899058632 586466561 /nfs/dbraw/zinc/46/65/61/586466561.db2.gz UTKWVGNZQXBYAF-UHFFFAOYSA-N 1 1 345.399 0.696 20 30 ECEDMO N#CCOc1ccc(CC(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000899058632 586466563 /nfs/dbraw/zinc/46/65/63/586466563.db2.gz UTKWVGNZQXBYAF-UHFFFAOYSA-N 1 1 345.399 0.696 20 30 ECEDMO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH+]2CC(CC#N)C2)CCC1 ZINC000899891931 586511673 /nfs/dbraw/zinc/51/16/73/586511673.db2.gz NADDAFWGKSKSEZ-ZDUSSCGKSA-N 1 1 329.466 0.833 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000900274247 586536457 /nfs/dbraw/zinc/53/64/57/586536457.db2.gz MAVGVIKVLDDRGI-QAPCUYQASA-N 1 1 329.400 0.520 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000900274247 586536458 /nfs/dbraw/zinc/53/64/58/586536458.db2.gz MAVGVIKVLDDRGI-QAPCUYQASA-N 1 1 329.400 0.520 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000900673561 586654504 /nfs/dbraw/zinc/65/45/04/586654504.db2.gz UQMIWRAADVGGCG-GDBMZVCRSA-N 1 1 348.447 0.460 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000900673561 586654505 /nfs/dbraw/zinc/65/45/05/586654505.db2.gz UQMIWRAADVGGCG-GDBMZVCRSA-N 1 1 348.447 0.460 20 30 ECEDMO N#Cc1sc(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc1Cl ZINC000888423824 586781051 /nfs/dbraw/zinc/78/10/51/586781051.db2.gz BQTZNYJOQNDCMB-JGVFFNPUSA-N 1 1 327.797 0.951 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000838623555 586819391 /nfs/dbraw/zinc/81/93/91/586819391.db2.gz HYUQELCWMRRTKR-CQSZACIVSA-N 1 1 329.466 0.550 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000838623555 586819392 /nfs/dbraw/zinc/81/93/92/586819392.db2.gz HYUQELCWMRRTKR-CQSZACIVSA-N 1 1 329.466 0.550 20 30 ECEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905890097 586920000 /nfs/dbraw/zinc/92/00/00/586920000.db2.gz QNXAAKBEPSQOPU-QRVBRYPASA-N 1 1 345.443 0.771 20 30 ECEDMO C#CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000906376122 586944957 /nfs/dbraw/zinc/94/49/57/586944957.db2.gz KPJFQDBRQWFTSY-GJZGRUSLSA-N 1 1 326.462 0.757 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000906902032 586991422 /nfs/dbraw/zinc/99/14/22/586991422.db2.gz AKHSDMLEZXPUMP-HNNXBMFYSA-N 1 1 349.456 0.534 20 30 ECEDMO C#CCN1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105322131 589079662 /nfs/dbraw/zinc/07/96/62/589079662.db2.gz LLIKOIXTJZZORK-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCNC(=O)NC(=O)COC(=O)CCCC[NH+]1CCOCC1 ZINC000803513491 587062657 /nfs/dbraw/zinc/06/26/57/587062657.db2.gz XRBVBGJNHFSXGL-UHFFFAOYSA-N 1 1 327.381 0.044 20 30 ECEDMO C#CCCCNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000806914654 587111494 /nfs/dbraw/zinc/11/14/94/587111494.db2.gz CEFGIQWLZOGTGB-UHFFFAOYSA-N 1 1 327.428 0.903 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000808159706 587146389 /nfs/dbraw/zinc/14/63/89/587146389.db2.gz JDWMGQUMVYZZHC-CABCVRRESA-N 1 1 328.368 0.434 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)[C@@H]1CCCO1 ZINC000809305668 587173563 /nfs/dbraw/zinc/17/35/63/587173563.db2.gz HQZUIUUKOUOBGP-SJORKVTESA-N 1 1 349.475 0.862 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1cc(C#N)ccc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000809441038 587177806 /nfs/dbraw/zinc/17/78/06/587177806.db2.gz OQUREZWOKSJBTL-NHYWBVRUSA-N 1 1 348.378 0.149 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1cc(C#N)ccc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000809441038 587177807 /nfs/dbraw/zinc/17/78/07/587177807.db2.gz OQUREZWOKSJBTL-NHYWBVRUSA-N 1 1 348.378 0.149 20 30 ECEDMO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH+]1CCN(CCC#N)CC1 ZINC000809967637 587187195 /nfs/dbraw/zinc/18/71/95/587187195.db2.gz DQRZHGMCHHSOAX-INIZCTEOSA-N 1 1 326.441 0.793 20 30 ECEDMO C[C@H](O)C[N@@H+](CCO)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000810040357 587188205 /nfs/dbraw/zinc/18/82/05/587188205.db2.gz QJZDVMLQWRBWAY-GXTWGEPZSA-N 1 1 340.383 0.899 20 30 ECEDMO Cn1ncc(C=NNC(=S)NCCC[NH+]2CCOCC2)c1Cl ZINC000814728093 587278952 /nfs/dbraw/zinc/27/89/52/587278952.db2.gz LHOWDYKPWFZHCK-UHFFFAOYSA-N 1 1 344.872 0.594 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@H]1CCCO1 ZINC000815574748 587293964 /nfs/dbraw/zinc/29/39/64/587293964.db2.gz BONNMZXQKOEDKT-UONOGXRCSA-N 1 1 326.356 0.878 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000817812908 587386586 /nfs/dbraw/zinc/38/65/86/587386586.db2.gz ACQSNIVVQYTPJX-IRXDYDNUSA-N 1 1 341.411 0.264 20 30 ECEDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NN=C1CC[NH+](CCO)CC1 ZINC000819808714 587492023 /nfs/dbraw/zinc/49/20/23/587492023.db2.gz RIFQEXSLYVMXTH-UHFFFAOYSA-N 1 1 342.377 0.317 20 30 ECEDMO C#CCN(C(=O)N[C@H]1CC[N@@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000823048863 587699331 /nfs/dbraw/zinc/69/93/31/587699331.db2.gz HBPVFDSLFITKOT-KBPBESRZSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CCN(C(=O)N[C@H]1CC[N@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000823048863 587699333 /nfs/dbraw/zinc/69/93/33/587699333.db2.gz HBPVFDSLFITKOT-KBPBESRZSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(CN2CCNC2=O)cc1 ZINC000826924906 588089978 /nfs/dbraw/zinc/08/99/78/588089978.db2.gz FCNBIXIHGCSCIK-KRWDZBQOSA-N 1 1 340.427 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CN2CCNC2=O)cc1 ZINC000826924906 588089980 /nfs/dbraw/zinc/08/99/80/588089980.db2.gz FCNBIXIHGCSCIK-KRWDZBQOSA-N 1 1 340.427 0.926 20 30 ECEDMO C#CCN(CC(=O)NCc1c[nH+]c(N(C)C)n1C)C(=O)OC(C)(C)C ZINC000827471961 588122471 /nfs/dbraw/zinc/12/24/71/588122471.db2.gz WWJAMBJRLAOCHE-UHFFFAOYSA-N 1 1 349.435 0.973 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827704121 588136138 /nfs/dbraw/zinc/13/61/38/588136138.db2.gz BKGQGMPGHPITLN-UONOGXRCSA-N 1 1 341.477 0.391 20 30 ECEDMO C=C(C)[C@@H](CO)[N@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000828150704 588161054 /nfs/dbraw/zinc/16/10/54/588161054.db2.gz LIIJXBHUHFPHRO-CQSZACIVSA-N 1 1 341.452 0.935 20 30 ECEDMO C=C(C)[C@@H](CO)[N@@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000828150704 588161055 /nfs/dbraw/zinc/16/10/55/588161055.db2.gz LIIJXBHUHFPHRO-CQSZACIVSA-N 1 1 341.452 0.935 20 30 ECEDMO C=CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000828473140 588181825 /nfs/dbraw/zinc/18/18/25/588181825.db2.gz PXAQPVGUMOTRMO-CABCVRRESA-N 1 1 333.436 0.879 20 30 ECEDMO COC(=O)Cn1cc(CC[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)nn1 ZINC000844367109 589109300 /nfs/dbraw/zinc/10/93/00/589109300.db2.gz RAQSQDWCZBZDRN-MRXNPFEDSA-N 1 1 343.387 0.531 20 30 ECEDMO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000845218468 589139036 /nfs/dbraw/zinc/13/90/36/589139036.db2.gz DGTGRKJFDVIJMO-QGZVFWFLSA-N 1 1 346.431 0.955 20 30 ECEDMO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000846335158 589196885 /nfs/dbraw/zinc/19/68/85/589196885.db2.gz GHOVVCOOSPGCTB-SJORKVTESA-N 1 1 328.416 0.440 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000846841968 589226208 /nfs/dbraw/zinc/22/62/08/589226208.db2.gz QRQMXTBNDPTEKE-QZTJIDSGSA-N 1 1 333.432 0.871 20 30 ECEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000847032497 589233391 /nfs/dbraw/zinc/23/33/91/589233391.db2.gz UGXRDXJHCQQEGB-OAHLLOKOSA-N 1 1 341.415 0.849 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000847416561 589246240 /nfs/dbraw/zinc/24/62/40/589246240.db2.gz NPEORLWODREBRO-UHFFFAOYSA-N 1 1 341.477 0.216 20 30 ECEDMO C#C[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000848283889 589286563 /nfs/dbraw/zinc/28/65/63/589286563.db2.gz FOXGPOLBTXLFGC-IRXDYDNUSA-N 1 1 347.459 0.572 20 30 ECEDMO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(CCC(=O)OCC)C2=O)C1 ZINC000848494235 589298238 /nfs/dbraw/zinc/29/82/38/589298238.db2.gz PGSZTHXLOWIEPR-CXAGYDPISA-N 1 1 335.404 0.943 20 30 ECEDMO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(CCC(=O)OCC)C2=O)C1 ZINC000848494235 589298239 /nfs/dbraw/zinc/29/82/39/589298239.db2.gz PGSZTHXLOWIEPR-CXAGYDPISA-N 1 1 335.404 0.943 20 30 ECEDMO C#CC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594629 589342391 /nfs/dbraw/zinc/34/23/91/589342391.db2.gz GMGZJZIBXJOYBA-IXDOHACOSA-N 1 1 332.448 0.734 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000851793664 589424081 /nfs/dbraw/zinc/42/40/81/589424081.db2.gz ZUIJSFKGCFPHPK-OAHLLOKOSA-N 1 1 332.466 0.445 20 30 ECEDMO C#C[C@@](C)(CC)[NH2+]CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000852101647 589443550 /nfs/dbraw/zinc/44/35/50/589443550.db2.gz SUWQPQWJGSWLTQ-KRWDZBQOSA-N 1 1 334.420 0.359 20 30 ECEDMO C#C[C@@H](NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)C1CCOCC1 ZINC000852258672 589453259 /nfs/dbraw/zinc/45/32/59/589453259.db2.gz YWHPAPPDQULXJQ-DOTOQJQBSA-N 1 1 336.480 0.740 20 30 ECEDMO C=CC[N@@H+](CC(=O)N1CCN(C(=O)OCC)CC1)[C@@H](C)COC ZINC000852357660 589492284 /nfs/dbraw/zinc/49/22/84/589492284.db2.gz GITFDFAREYMJJP-AWEZNQCLSA-N 1 1 327.425 0.810 20 30 ECEDMO C=CC[N@H+](CC(=O)N1CCN(C(=O)OCC)CC1)[C@@H](C)COC ZINC000852357660 589492285 /nfs/dbraw/zinc/49/22/85/589492285.db2.gz GITFDFAREYMJJP-AWEZNQCLSA-N 1 1 327.425 0.810 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000852752238 589510339 /nfs/dbraw/zinc/51/03/39/589510339.db2.gz RGNDSNNVSRBTGW-QGZVFWFLSA-N 1 1 331.416 0.562 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000852752238 589510340 /nfs/dbraw/zinc/51/03/40/589510340.db2.gz RGNDSNNVSRBTGW-QGZVFWFLSA-N 1 1 331.416 0.562 20 30 ECEDMO N#Cc1cccc(CN2CCC(NC(=O)C3=NO[C@@H](C[NH3+])C3)CC2)c1 ZINC000852896522 589523281 /nfs/dbraw/zinc/52/32/81/589523281.db2.gz CQNZGXPVVHOZID-MRXNPFEDSA-N 1 1 341.415 0.742 20 30 ECEDMO CCC[N@H+]1CC[C@H](NC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000853713803 589556238 /nfs/dbraw/zinc/55/62/38/589556238.db2.gz WLEUJHIWOQMURK-VCHHOEMESA-N 1 1 335.408 0.296 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](c1nccn1C)C(C)(C)CO ZINC000854094593 589571015 /nfs/dbraw/zinc/57/10/15/589571015.db2.gz XDTZGOLEQDRNOZ-CQSZACIVSA-N 1 1 335.452 0.734 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCCC1N=NC(=S)N1C(C)C ZINC000854094413 589571138 /nfs/dbraw/zinc/57/11/38/589571138.db2.gz PKBSXNMQBDICIT-UHFFFAOYSA-N 1 1 338.481 0.945 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000859020412 589793078 /nfs/dbraw/zinc/79/30/78/589793078.db2.gz KWKUQXDWTCYHSL-HUUCEWRRSA-N 1 1 339.436 0.694 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000859020412 589793079 /nfs/dbraw/zinc/79/30/79/589793079.db2.gz KWKUQXDWTCYHSL-HUUCEWRRSA-N 1 1 339.436 0.694 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)OC(C)(C)C ZINC000859529343 589847861 /nfs/dbraw/zinc/84/78/61/589847861.db2.gz QNCKNIYBNWBHSF-UHFFFAOYSA-N 1 1 328.413 0.845 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)OC(C)(C)C ZINC000859529343 589847864 /nfs/dbraw/zinc/84/78/64/589847864.db2.gz QNCKNIYBNWBHSF-UHFFFAOYSA-N 1 1 328.413 0.845 20 30 ECEDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C#Cc2ccc3c(c2)OCO3)C1 ZINC000869779784 589978810 /nfs/dbraw/zinc/97/88/10/589978810.db2.gz IAAHBGHDAHPOFP-AWEZNQCLSA-N 1 1 330.384 0.728 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000870095960 590000254 /nfs/dbraw/zinc/00/02/54/590000254.db2.gz GYQOGORBMDIIPX-KRWDZBQOSA-N 1 1 328.416 0.928 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000870095960 590000256 /nfs/dbraw/zinc/00/02/56/590000256.db2.gz GYQOGORBMDIIPX-KRWDZBQOSA-N 1 1 328.416 0.928 20 30 ECEDMO COc1ccc([C@H]2CN(C(=O)[C@H](C)n3cnc(C#N)n3)CC[NH2+]2)cc1 ZINC000870145586 590002964 /nfs/dbraw/zinc/00/29/64/590002964.db2.gz OGPQTQNWYIJXNV-SWLSCSKDSA-N 1 1 340.387 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CCc2cnccn2)CC1 ZINC000871219639 590056428 /nfs/dbraw/zinc/05/64/28/590056428.db2.gz FPQSWWPSXZXOSD-KRWDZBQOSA-N 1 1 327.432 0.261 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCc2cnccn2)CC1 ZINC000871219639 590056431 /nfs/dbraw/zinc/05/64/31/590056431.db2.gz FPQSWWPSXZXOSD-KRWDZBQOSA-N 1 1 327.432 0.261 20 30 ECEDMO COC(=O)CCN(CC#N)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000871347390 590061234 /nfs/dbraw/zinc/06/12/34/590061234.db2.gz BQSAPYUWBDMEKP-LSDHHAIUSA-N 1 1 347.419 0.371 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000872616975 590133843 /nfs/dbraw/zinc/13/38/43/590133843.db2.gz HRYKYZCOMGGQRW-UONOGXRCSA-N 1 1 339.392 0.527 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000873502222 590191325 /nfs/dbraw/zinc/19/13/25/590191325.db2.gz RDOWEKSVHWDZKI-IJLUTSLNSA-N 1 1 332.322 0.942 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)c(F)cc2C)C1 ZINC000873726911 590198748 /nfs/dbraw/zinc/19/87/48/590198748.db2.gz QPETYVZLGXYGDL-ZDUSSCGKSA-N 1 1 348.378 0.781 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N(C)C)c(F)c1 ZINC000873895736 590209564 /nfs/dbraw/zinc/20/95/64/590209564.db2.gz BGJQLNMQFDPSAJ-UHFFFAOYSA-N 1 1 334.395 0.902 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2nccnc21 ZINC000873896587 590209601 /nfs/dbraw/zinc/20/96/01/590209601.db2.gz YYYVXFZAHUPBNF-UHFFFAOYSA-N 1 1 325.372 0.640 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)n(CCC#N)n1 ZINC000874365480 590235047 /nfs/dbraw/zinc/23/50/47/590235047.db2.gz CMTLBLYULDHLSH-KBPBESRZSA-N 1 1 344.419 0.739 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000875049056 590264973 /nfs/dbraw/zinc/26/49/73/590264973.db2.gz YEVZFAUTOPSNJW-IAGOWNOFSA-N 1 1 338.496 0.986 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000875139526 590275039 /nfs/dbraw/zinc/27/50/39/590275039.db2.gz AEJICJYEERFWOL-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCc2cccc(C#N)c2)cn1 ZINC000879434634 590311657 /nfs/dbraw/zinc/31/16/57/590311657.db2.gz VPWYHMAYWXNROZ-UHFFFAOYSA-N 1 1 347.444 0.745 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000875599243 590312535 /nfs/dbraw/zinc/31/25/35/590312535.db2.gz OXMJPLLKPXQLPD-XHSDSOJGSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000875604624 590314721 /nfs/dbraw/zinc/31/47/21/590314721.db2.gz QOEBPWFJUHKDEX-OAGGEKHMSA-N 1 1 335.448 0.615 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC(=O)NCC12COC2 ZINC000880401001 590390687 /nfs/dbraw/zinc/39/06/87/590390687.db2.gz NBKXJSFIKCZHPX-UHFFFAOYSA-N 1 1 328.372 0.478 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC(=O)NCC12COC2 ZINC000880401001 590390689 /nfs/dbraw/zinc/39/06/89/590390689.db2.gz NBKXJSFIKCZHPX-UHFFFAOYSA-N 1 1 328.372 0.478 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3CO)CC2)o1 ZINC000880438786 590393465 /nfs/dbraw/zinc/39/34/65/590393465.db2.gz YSSJSRAQLYSUAG-TZMCWYRMSA-N 1 1 347.419 0.349 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880589546 590409922 /nfs/dbraw/zinc/40/99/22/590409922.db2.gz UWZJZRYWAWWGBD-STQMWFEESA-N 1 1 325.409 0.250 20 30 ECEDMO C[NH+](C)C1(CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CCOCC1 ZINC000876762515 590411673 /nfs/dbraw/zinc/41/16/73/590411673.db2.gz HXHARJZMQNWWPL-QGZVFWFLSA-N 1 1 342.443 0.972 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000877894044 590485068 /nfs/dbraw/zinc/48/50/68/590485068.db2.gz XKWIHIVYBPENHE-MRXNPFEDSA-N 1 1 339.480 0.352 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)CC2(O)CCOCC2)c1 ZINC000877977584 590490475 /nfs/dbraw/zinc/49/04/75/590490475.db2.gz XZVFTMSFINIFGN-QGZVFWFLSA-N 1 1 346.427 0.831 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)CC2(O)CCOCC2)c1 ZINC000877977584 590490477 /nfs/dbraw/zinc/49/04/77/590490477.db2.gz XZVFTMSFINIFGN-QGZVFWFLSA-N 1 1 346.427 0.831 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)C[C@H]1COc2ccccc2O1 ZINC000882222647 590528868 /nfs/dbraw/zinc/52/88/68/590528868.db2.gz WGGTUBOBRVELJJ-CQSZACIVSA-N 1 1 338.429 0.701 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000127398719 590549506 /nfs/dbraw/zinc/54/95/06/590549506.db2.gz TYWYSISKDOTVTD-UHFFFAOYSA-N 1 1 329.400 0.672 20 30 ECEDMO C=C(C)C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000882893824 590595922 /nfs/dbraw/zinc/59/59/22/590595922.db2.gz CUXSPYVLPXPQTH-BZUAXINKSA-N 1 1 337.464 0.763 20 30 ECEDMO COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N(C)C[C@H](C)C#N)cc1 ZINC000883647877 590641603 /nfs/dbraw/zinc/64/16/03/590641603.db2.gz HJVASXKTCGHTCB-CZUORRHYSA-N 1 1 344.415 0.786 20 30 ECEDMO C=C(C)C[C@H](CO)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000883739651 590658476 /nfs/dbraw/zinc/65/84/76/590658476.db2.gz FKFGMEVIGQDFLG-OAHLLOKOSA-N 1 1 341.452 0.494 20 30 ECEDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000883900068 590680443 /nfs/dbraw/zinc/68/04/43/590680443.db2.gz DFUZFHIOMIJPLT-MRXNPFEDSA-N 1 1 328.420 0.879 20 30 ECEDMO C[C@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)[NH+]1CCCCCC1 ZINC000885318972 590716234 /nfs/dbraw/zinc/71/62/34/590716234.db2.gz ZNNYHKOZJJSABY-FMKPAKJESA-N 1 1 339.461 0.648 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCN2C(=O)Cc3ccccc32)C1 ZINC000884113096 590742806 /nfs/dbraw/zinc/74/28/06/590742806.db2.gz GAVOUFAVYFPNTL-MRXNPFEDSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCN2C(=O)Cc3ccccc32)C1 ZINC000884113096 590742809 /nfs/dbraw/zinc/74/28/09/590742809.db2.gz GAVOUFAVYFPNTL-MRXNPFEDSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)C(=O)NCc2ccco2)C1 ZINC000884111986 590743350 /nfs/dbraw/zinc/74/33/50/590743350.db2.gz YMWFCOCWWKOBKP-ZIAGYGMSSA-N 1 1 332.404 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C(=O)NCc2ccco2)C1 ZINC000884111986 590743352 /nfs/dbraw/zinc/74/33/52/590743352.db2.gz YMWFCOCWWKOBKP-ZIAGYGMSSA-N 1 1 332.404 0.681 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000136254376 590771314 /nfs/dbraw/zinc/77/13/14/590771314.db2.gz CXXFLHOQVFDRRH-OAHLLOKOSA-N 1 1 330.384 0.994 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000884220562 590780495 /nfs/dbraw/zinc/78/04/95/590780495.db2.gz WQDONZRTYXRXFM-ZNMIVQPWSA-N 1 1 339.436 0.193 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000884220559 590780681 /nfs/dbraw/zinc/78/06/81/590780681.db2.gz WQDONZRTYXRXFM-KKUMJFAQSA-N 1 1 339.436 0.193 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2ccccc2F)C1 ZINC000884229373 590783192 /nfs/dbraw/zinc/78/31/92/590783192.db2.gz OZIFSSKLAKSUEK-CQSZACIVSA-N 1 1 346.406 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2ccccc2F)C1 ZINC000884229373 590783195 /nfs/dbraw/zinc/78/31/95/590783195.db2.gz OZIFSSKLAKSUEK-CQSZACIVSA-N 1 1 346.406 0.952 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886091995 590794331 /nfs/dbraw/zinc/79/43/31/590794331.db2.gz LQRCHAXYLYBJID-HNNXBMFYSA-N 1 1 341.477 0.421 20 30 ECEDMO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886203909 590812066 /nfs/dbraw/zinc/81/20/66/590812066.db2.gz LFMYGVCRKPUYCY-UMVBOHGHSA-N 1 1 325.434 0.258 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886203909 590812068 /nfs/dbraw/zinc/81/20/68/590812068.db2.gz LFMYGVCRKPUYCY-UMVBOHGHSA-N 1 1 325.434 0.258 20 30 ECEDMO N#Cc1cccc(OCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000889774448 591092781 /nfs/dbraw/zinc/09/27/81/591092781.db2.gz OUVAWXFYXLOOQI-SJORKVTESA-N 1 1 329.400 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](N3CCNC3=O)C2)C1 ZINC000890363594 591150304 /nfs/dbraw/zinc/15/03/04/591150304.db2.gz QAXPOSBGFPVJMT-HUUCEWRRSA-N 1 1 333.436 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](N3CCNC3=O)C2)C1 ZINC000890363594 591150305 /nfs/dbraw/zinc/15/03/05/591150305.db2.gz QAXPOSBGFPVJMT-HUUCEWRRSA-N 1 1 333.436 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000890365210 591151747 /nfs/dbraw/zinc/15/17/47/591151747.db2.gz QOCQQZPDIPVBMY-IXDOHACOSA-N 1 1 336.480 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000890365210 591151750 /nfs/dbraw/zinc/15/17/50/591151750.db2.gz QOCQQZPDIPVBMY-IXDOHACOSA-N 1 1 336.480 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2COc3ccccc3[C@H]2O)C1 ZINC000890365652 591151867 /nfs/dbraw/zinc/15/18/67/591151867.db2.gz XHORXZXSHJYWIY-YSVLISHTSA-N 1 1 329.400 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2COc3ccccc3[C@H]2O)C1 ZINC000890365652 591151868 /nfs/dbraw/zinc/15/18/68/591151868.db2.gz XHORXZXSHJYWIY-YSVLISHTSA-N 1 1 329.400 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCc3nn(CC)c(=O)cc3C2)C1 ZINC000890368823 591152821 /nfs/dbraw/zinc/15/28/21/591152821.db2.gz NHLOGNSIQPJAQJ-OAHLLOKOSA-N 1 1 343.431 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCc3nn(CC)c(=O)cc3C2)C1 ZINC000890368823 591152824 /nfs/dbraw/zinc/15/28/24/591152824.db2.gz NHLOGNSIQPJAQJ-OAHLLOKOSA-N 1 1 343.431 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCOCC3(CCOCC3)C2)C1 ZINC000890367530 591153050 /nfs/dbraw/zinc/15/30/50/591153050.db2.gz NWRAASGCYQJBAW-MRXNPFEDSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCOCC3(CCOCC3)C2)C1 ZINC000890367530 591153054 /nfs/dbraw/zinc/15/30/54/591153054.db2.gz NWRAASGCYQJBAW-MRXNPFEDSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCCN(C(=O)OCC)CC2)C1 ZINC000890373253 591154964 /nfs/dbraw/zinc/15/49/64/591154964.db2.gz SAURMXVBEQYPLV-OAHLLOKOSA-N 1 1 336.436 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCN(C(=O)OCC)CC2)C1 ZINC000890373253 591154966 /nfs/dbraw/zinc/15/49/66/591154966.db2.gz SAURMXVBEQYPLV-OAHLLOKOSA-N 1 1 336.436 0.958 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC[C@@H]2C1 ZINC000946628162 611373899 /nfs/dbraw/zinc/37/38/99/611373899.db2.gz JSKMLUTYVZTPNR-MJBXVCDLSA-N 1 1 334.420 0.331 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C ZINC000947998764 611375740 /nfs/dbraw/zinc/37/57/40/611375740.db2.gz OQPJZZYDWZBUKP-STQMWFEESA-N 1 1 336.436 0.862 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C)c(C#N)c2)C1 ZINC000930008725 611379990 /nfs/dbraw/zinc/37/99/90/611379990.db2.gz FZIRHXAVOFGRAA-INIZCTEOSA-N 1 1 344.415 0.320 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000930126461 611393078 /nfs/dbraw/zinc/39/30/78/611393078.db2.gz JDXBVHUSBUBYHO-CQSZACIVSA-N 1 1 326.356 0.233 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000930126461 611393080 /nfs/dbraw/zinc/39/30/80/611393080.db2.gz JDXBVHUSBUBYHO-CQSZACIVSA-N 1 1 326.356 0.233 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)CC[C@@H]2C1 ZINC000946688642 611414490 /nfs/dbraw/zinc/41/44/90/611414490.db2.gz XIKMAOXSKUISNX-GASCZTMLSA-N 1 1 328.416 0.588 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000946699391 611422489 /nfs/dbraw/zinc/42/24/89/611422489.db2.gz OEROGLTZOWUWFU-IAGOWNOFSA-N 1 1 345.443 0.370 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000948099825 611426249 /nfs/dbraw/zinc/42/62/49/611426249.db2.gz ZTYNNMSVQZXIFJ-GRXFCQPSSA-N 1 1 346.431 0.116 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCCNc1cccc(C)[nH+]1)[C@H]1CCCO1 ZINC000930469026 611431072 /nfs/dbraw/zinc/43/10/72/611431072.db2.gz CZAZQZCQZDSHEE-UONOGXRCSA-N 1 1 330.388 0.215 20 30 ECEDMO Cc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC000930514334 611438196 /nfs/dbraw/zinc/43/81/96/611438196.db2.gz AYGVDGCZZPVPBA-CZUORRHYSA-N 1 1 344.415 0.318 20 30 ECEDMO Cc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000930514334 611438198 /nfs/dbraw/zinc/43/81/98/611438198.db2.gz AYGVDGCZZPVPBA-CZUORRHYSA-N 1 1 344.415 0.318 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)C3(O)CCOCC3)C2)nc1 ZINC000930540865 611441909 /nfs/dbraw/zinc/44/19/09/611441909.db2.gz JRXXARQKKSEUAO-HUUCEWRRSA-N 1 1 333.388 0.309 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC[N@H+]1C ZINC000925352233 611474472 /nfs/dbraw/zinc/47/44/72/611474472.db2.gz CKWDAGLZUHIBDE-BBRMVZONSA-N 1 1 328.420 0.877 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000948282802 611501147 /nfs/dbraw/zinc/50/11/47/611501147.db2.gz RLVHYKLXZDDMMN-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000948315817 611517224 /nfs/dbraw/zinc/51/72/24/611517224.db2.gz GYTWYIKWNHKAQD-IUODEOHRSA-N 1 1 331.420 0.947 20 30 ECEDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@]1(C#N)CCCOC1)C2 ZINC000926194986 611524705 /nfs/dbraw/zinc/52/47/05/611524705.db2.gz WOPZFJYGSWHBLX-OSBBLCOHSA-N 1 1 335.448 0.903 20 30 ECEDMO CCN(C(=O)C(=O)NCc1cc(C#N)ccc1F)[C@@H]1CC[N@@H+](C)C1 ZINC000931598703 611552687 /nfs/dbraw/zinc/55/26/87/611552687.db2.gz NDHNRQLYHWDMIV-CQSZACIVSA-N 1 1 332.379 0.866 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000948381974 611557478 /nfs/dbraw/zinc/55/74/78/611557478.db2.gz VQIRNYYBPZRCSN-ZDUSSCGKSA-N 1 1 334.424 0.266 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCCS2(=O)=O)CC1 ZINC000948421359 611585717 /nfs/dbraw/zinc/58/57/17/611585717.db2.gz QJVSBOYXUMCSKJ-HNNXBMFYSA-N 1 1 341.477 0.358 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1C ZINC000947567008 611599581 /nfs/dbraw/zinc/59/95/81/611599581.db2.gz ADABQWNMDFNUOZ-KBPBESRZSA-N 1 1 339.403 0.663 20 30 ECEDMO Cc1ccc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)cc1C#N ZINC000932475929 611632564 /nfs/dbraw/zinc/63/25/64/611632564.db2.gz SOUDJUBICIHJMQ-UHFFFAOYSA-N 1 1 346.456 0.648 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC000949423854 608673690 /nfs/dbraw/zinc/67/36/90/608673690.db2.gz SHFOUBSJFUTJCR-QGZVFWFLSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cocn2)C1 ZINC000936890200 608695058 /nfs/dbraw/zinc/69/50/58/608695058.db2.gz ATVLLQPTCVTYGN-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cocn2)C1 ZINC000936890200 608695060 /nfs/dbraw/zinc/69/50/60/608695060.db2.gz ATVLLQPTCVTYGN-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO CC[C@@H]1C(=O)NCCCN1CC#CC[N@@H+]1CCCNC(=O)[C@H]1CC ZINC000933218257 608727614 /nfs/dbraw/zinc/72/76/14/608727614.db2.gz REDTZCZSAUMLLX-HZPDHXFCSA-N 1 1 334.464 0.191 20 30 ECEDMO CC[C@@H]1C(=O)NCCCN1CC#CC[N@H+]1CCCNC(=O)[C@H]1CC ZINC000933218257 608727618 /nfs/dbraw/zinc/72/76/18/608727618.db2.gz REDTZCZSAUMLLX-HZPDHXFCSA-N 1 1 334.464 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cocn2)CC1 ZINC000947229568 608792407 /nfs/dbraw/zinc/79/24/07/608792407.db2.gz DSEWVDKINLWZDH-HNNXBMFYSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cocn2)CC1 ZINC000947229568 608792408 /nfs/dbraw/zinc/79/24/08/608792408.db2.gz DSEWVDKINLWZDH-HNNXBMFYSA-N 1 1 330.388 0.493 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H](C)C2)c1 ZINC000947711288 611662916 /nfs/dbraw/zinc/66/29/16/611662916.db2.gz UXSNLUPWPRSWKC-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC000947512089 608846004 /nfs/dbraw/zinc/84/60/04/608846004.db2.gz TYOZVCDLYFCWPB-VXGBXAGGSA-N 1 1 340.811 0.671 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC000947512089 608846007 /nfs/dbraw/zinc/84/60/07/608846007.db2.gz TYOZVCDLYFCWPB-VXGBXAGGSA-N 1 1 340.811 0.671 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C[C@@H]1C ZINC000947546308 608882890 /nfs/dbraw/zinc/88/28/90/608882890.db2.gz FSWJICQECJYOSF-GJZGRUSLSA-N 1 1 341.477 0.404 20 30 ECEDMO C[N@@H+](CCN1CCN(C(=O)NCC#CCO)CC1)Cc1ccccc1 ZINC000923780025 608935536 /nfs/dbraw/zinc/93/55/36/608935536.db2.gz OMRROUMWFXHYGA-UHFFFAOYSA-N 1 1 344.459 0.441 20 30 ECEDMO CC[N@H+]1CCC[C@H](CN(C)C(=O)NCC#CCO)[C@@H]1c1cnn(C)c1 ZINC000923763247 608938412 /nfs/dbraw/zinc/93/84/12/608938412.db2.gz XSEDDEVKKRJULS-NVXWUHKLSA-N 1 1 347.463 0.830 20 30 ECEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)NCC#CCO)CC1 ZINC000923786212 608947530 /nfs/dbraw/zinc/94/75/30/608947530.db2.gz QTVIVURITGQISE-UHFFFAOYSA-N 1 1 344.459 0.619 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C[C@H]1C ZINC000947722400 608964757 /nfs/dbraw/zinc/96/47/57/608964757.db2.gz JJKIJTPYWPIKCA-ZIAGYGMSSA-N 1 1 330.432 0.739 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000937220767 609059400 /nfs/dbraw/zinc/05/94/00/609059400.db2.gz URNIGPRDAIXFDT-SJORKVTESA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000937220767 609059404 /nfs/dbraw/zinc/05/94/04/609059404.db2.gz URNIGPRDAIXFDT-SJORKVTESA-N 1 1 345.443 0.490 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000937796425 609089385 /nfs/dbraw/zinc/08/93/85/609089385.db2.gz VVVOWBMEPIZMJI-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC000937810799 609095767 /nfs/dbraw/zinc/09/57/67/609095767.db2.gz RQBCURSSCFBKJK-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC000937810799 609095768 /nfs/dbraw/zinc/09/57/68/609095768.db2.gz RQBCURSSCFBKJK-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)C1CCC1 ZINC000937838490 609114411 /nfs/dbraw/zinc/11/44/11/609114411.db2.gz BJRDPDVAWGBEHM-ZDUSSCGKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(F)cn2)C1 ZINC000937858355 609119243 /nfs/dbraw/zinc/11/92/43/609119243.db2.gz IVBVGMYSCXCYKV-HOCLYGCPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(F)cn2)C1 ZINC000937858355 609119245 /nfs/dbraw/zinc/11/92/45/609119245.db2.gz IVBVGMYSCXCYKV-HOCLYGCPSA-N 1 1 344.390 0.649 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC#Cc1ccccc1 ZINC000947310371 609123151 /nfs/dbraw/zinc/12/31/51/609123151.db2.gz PXVQKQRFELCHQW-DOTOQJQBSA-N 1 1 338.415 0.694 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cncn3C)[C@H](C)C2)nn1 ZINC000947792082 611692574 /nfs/dbraw/zinc/69/25/74/611692574.db2.gz IEZIYZGZDNZFOV-KGLIPLIRSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC000937876644 609359095 /nfs/dbraw/zinc/35/90/95/609359095.db2.gz JPTQLYAITXHRPQ-HOTGVXAUSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC000937876644 609359098 /nfs/dbraw/zinc/35/90/98/609359098.db2.gz JPTQLYAITXHRPQ-HOTGVXAUSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC000938170620 609482228 /nfs/dbraw/zinc/48/22/28/609482228.db2.gz KXOHUEWTOJUTRL-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC000938170620 609482230 /nfs/dbraw/zinc/48/22/30/609482230.db2.gz KXOHUEWTOJUTRL-ULQDDVLXSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000938170830 609482838 /nfs/dbraw/zinc/48/28/38/609482838.db2.gz PAAYIRGVMCARPD-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000938171081 609483160 /nfs/dbraw/zinc/48/31/60/609483160.db2.gz WCRZCZIFRUWZBU-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000938171081 609483161 /nfs/dbraw/zinc/48/31/61/609483161.db2.gz WCRZCZIFRUWZBU-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 ZINC000938172247 609484964 /nfs/dbraw/zinc/48/49/64/609484964.db2.gz RJIKCZXPIZXXNX-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 ZINC000938172247 609484967 /nfs/dbraw/zinc/48/49/67/609484967.db2.gz RJIKCZXPIZXXNX-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C=CCN1CC[C@@H](N(C)C(=O)CC[NH+]2CCN(C(C)C)CC2)C1=O ZINC000907960506 609632802 /nfs/dbraw/zinc/63/28/02/609632802.db2.gz SVOYIKVZJRXILY-MRXNPFEDSA-N 1 1 336.480 0.648 20 30 ECEDMO N#C[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000924025012 609666029 /nfs/dbraw/zinc/66/60/29/609666029.db2.gz JSZWBPWMLCMGMO-IAGOWNOFSA-N 1 1 349.479 0.728 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@H]1C[N@H+](C)CCN1C ZINC000919982585 609668533 /nfs/dbraw/zinc/66/85/33/609668533.db2.gz UAKCLFAZGDHFKC-IAQYHMDHSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000919982585 609668535 /nfs/dbraw/zinc/66/85/35/609668535.db2.gz UAKCLFAZGDHFKC-IAQYHMDHSA-N 1 1 340.424 0.610 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000921439253 609716662 /nfs/dbraw/zinc/71/66/62/609716662.db2.gz WBIDRLCETTWGHD-UHFFFAOYSA-N 1 1 345.424 0.904 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 ZINC000921437979 609716756 /nfs/dbraw/zinc/71/67/56/609716756.db2.gz MMMXOSXMYKLXCG-CQSZACIVSA-N 1 1 338.433 0.220 20 30 ECEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000045890100 609723637 /nfs/dbraw/zinc/72/36/37/609723637.db2.gz CXFCUIDVYWXATH-LBPRGKRZSA-N 1 1 330.388 0.391 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000947760828 609732290 /nfs/dbraw/zinc/73/22/90/609732290.db2.gz AFRSEHVHKWSHAU-KGLIPLIRSA-N 1 1 348.447 0.633 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938288680 609736626 /nfs/dbraw/zinc/73/66/26/609736626.db2.gz FBGRPALHQPHZEP-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC000947999174 609752947 /nfs/dbraw/zinc/75/29/47/609752947.db2.gz VWVOBYQXWBRSPR-OLZOCXBDSA-N 1 1 334.420 0.309 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)cn1 ZINC000938372433 609759283 /nfs/dbraw/zinc/75/92/83/609759283.db2.gz HFWDPZHQOFFHED-INIZCTEOSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000938291880 609762399 /nfs/dbraw/zinc/76/23/99/609762399.db2.gz YEHZKGKJIWTKCD-STQMWFEESA-N 1 1 329.404 0.639 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000938412551 609775516 /nfs/dbraw/zinc/77/55/16/609775516.db2.gz ZMGBMEKWYXRMIA-JJXSEGSLSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000938425114 609787327 /nfs/dbraw/zinc/78/73/27/609787327.db2.gz BKFKEUOZROISGY-YVSFHVDLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000938425114 609787328 /nfs/dbraw/zinc/78/73/28/609787328.db2.gz BKFKEUOZROISGY-YVSFHVDLSA-N 1 1 347.459 0.616 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000938464442 609796551 /nfs/dbraw/zinc/79/65/51/609796551.db2.gz YVSHTAGMUNNQFZ-FZKCQIBNSA-N 1 1 335.448 0.779 20 30 ECEDMO N#Cc1ccc([C@@H](O)C(=O)N2CC[NH+](CCCCCO)CC2)cc1 ZINC000913693098 609812755 /nfs/dbraw/zinc/81/27/55/609812755.db2.gz MUJYYJPTVYNOSA-QGZVFWFLSA-N 1 1 331.416 0.898 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000938492891 609817038 /nfs/dbraw/zinc/81/70/38/609817038.db2.gz NRCKUVCHKWNMJX-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000913988224 609840574 /nfs/dbraw/zinc/84/05/74/609840574.db2.gz HGHJHPDEDGZOQW-HZPDHXFCSA-N 1 1 336.480 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)C1 ZINC000923597551 609926750 /nfs/dbraw/zinc/92/67/50/609926750.db2.gz YHLHWOMABORIPP-KBPBESRZSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)C1 ZINC000923597551 609926752 /nfs/dbraw/zinc/92/67/52/609926752.db2.gz YHLHWOMABORIPP-KBPBESRZSA-N 1 1 339.436 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ocnc2CC)C1 ZINC000938702977 609951704 /nfs/dbraw/zinc/95/17/04/609951704.db2.gz IAQPLDSRIALZNO-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ocnc2CC)C1 ZINC000938702977 609951706 /nfs/dbraw/zinc/95/17/06/609951706.db2.gz IAQPLDSRIALZNO-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC000938705191 609953391 /nfs/dbraw/zinc/95/33/91/609953391.db2.gz BQKUJAAUSFWPOX-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCCS(=O)(=O)C[C@@H]2C)CC1 ZINC000917142232 609962908 /nfs/dbraw/zinc/96/29/08/609962908.db2.gz WGRZVSCBWFWOLH-ZDUSSCGKSA-N 1 1 329.466 0.855 20 30 ECEDMO C#C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1)C1CCOCC1 ZINC000912690904 609990650 /nfs/dbraw/zinc/99/06/50/609990650.db2.gz SBEYUCRWQFWKBL-JKSUJKDBSA-N 1 1 336.432 0.806 20 30 ECEDMO C#C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1)C1CCOCC1 ZINC000912690904 609990654 /nfs/dbraw/zinc/99/06/54/609990654.db2.gz SBEYUCRWQFWKBL-JKSUJKDBSA-N 1 1 336.432 0.806 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](NCc3nccn3C)[C@@H](C)C2)CC1 ZINC000939811792 610137205 /nfs/dbraw/zinc/13/72/05/610137205.db2.gz UOZQFTSGAXABLH-RDJZCZTQSA-N 1 1 343.475 0.702 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nonc3C)[C@@H](C)C2)nn1 ZINC000939293424 610149597 /nfs/dbraw/zinc/14/95/97/610149597.db2.gz UAJYRXSZGAOXQY-FZMZJTMJSA-N 1 1 345.407 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2conc2C)C1 ZINC000939412343 610193958 /nfs/dbraw/zinc/19/39/58/610193958.db2.gz WCOCFRIYRWJESE-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2conc2C)C1 ZINC000939412343 610193959 /nfs/dbraw/zinc/19/39/59/610193959.db2.gz WCOCFRIYRWJESE-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccn2)C1 ZINC000939427268 610199739 /nfs/dbraw/zinc/19/97/39/610199739.db2.gz GYNDTMLMMRYMLP-KFWWJZLASA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccn2)C1 ZINC000939427268 610199740 /nfs/dbraw/zinc/19/97/40/610199740.db2.gz GYNDTMLMMRYMLP-KFWWJZLASA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2nocc2C)C1 ZINC000940209052 610242866 /nfs/dbraw/zinc/24/28/66/610242866.db2.gz CDSQUNKHMBDXLG-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2nocc2C)C1 ZINC000940209052 610242867 /nfs/dbraw/zinc/24/28/67/610242867.db2.gz CDSQUNKHMBDXLG-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C2)nn1 ZINC000940505171 610293103 /nfs/dbraw/zinc/29/31/03/610293103.db2.gz VUYKARBHGAQHLV-CYBMUJFWSA-N 1 1 343.391 0.151 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(OC)ns3)CC2)C1 ZINC000941412469 610302685 /nfs/dbraw/zinc/30/26/85/610302685.db2.gz GDOSOFPYWAAEDH-UHFFFAOYSA-N 1 1 334.445 0.617 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC000941431864 610312665 /nfs/dbraw/zinc/31/26/65/610312665.db2.gz VJYUMHQRTXLIIS-UHFFFAOYSA-N 1 1 331.464 0.676 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940656536 610326321 /nfs/dbraw/zinc/32/63/21/610326321.db2.gz DCPBBHPYPKLGLC-ZIAGYGMSSA-N 1 1 331.420 0.981 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C3CCC(C(N)=O)CC3)CC2)C1 ZINC000941467727 610328527 /nfs/dbraw/zinc/32/85/27/610328527.db2.gz HAWYHXJAWCRBDJ-UHFFFAOYSA-N 1 1 346.475 0.130 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)CC1(C)C ZINC000940752718 610356850 /nfs/dbraw/zinc/35/68/50/610356850.db2.gz DPWOQAFNJNEPMF-QLFBSQMISA-N 1 1 337.464 0.930 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)CC1(C)C ZINC000940752718 610356851 /nfs/dbraw/zinc/35/68/51/610356851.db2.gz DPWOQAFNJNEPMF-QLFBSQMISA-N 1 1 337.464 0.930 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](C)C1 ZINC000942258946 610363771 /nfs/dbraw/zinc/36/37/71/610363771.db2.gz QYHYCAFCPACRJL-NWDGAFQWSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3cncnc3)CC2)C1 ZINC000941534250 610365551 /nfs/dbraw/zinc/36/55/51/610365551.db2.gz QOTMMUWOWRIHIE-OAHLLOKOSA-N 1 1 327.432 0.432 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)CC1(C)C ZINC000940807360 610372298 /nfs/dbraw/zinc/37/22/98/610372298.db2.gz MKJUKEDZPCDVSH-HOTGVXAUSA-N 1 1 348.491 0.389 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)CC2)C1 ZINC000941563531 610384122 /nfs/dbraw/zinc/38/41/22/610384122.db2.gz GYDVLSDASLXTLZ-MRXNPFEDSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(C)c3OC)CC2)C1 ZINC000941590882 610387566 /nfs/dbraw/zinc/38/75/66/610387566.db2.gz WQCYMEOIORMTDS-UHFFFAOYSA-N 1 1 345.447 0.202 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc(OC)cc(OC)n2)C(C)(C)C1 ZINC000940842666 610395931 /nfs/dbraw/zinc/39/59/31/610395931.db2.gz MAOZVAXSRQGGDD-GFCCVEGCSA-N 1 1 332.404 0.957 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000940847384 610398520 /nfs/dbraw/zinc/39/85/20/610398520.db2.gz WMVDFQCCLBJVLE-OAHLLOKOSA-N 1 1 334.464 0.000 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cn3ccc(C)cc3=O)CC2)C1 ZINC000941590361 610399158 /nfs/dbraw/zinc/39/91/58/610399158.db2.gz MLFVWWZKQQBPIT-UHFFFAOYSA-N 1 1 330.432 0.171 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)C1 ZINC000941601724 610402107 /nfs/dbraw/zinc/40/21/07/610402107.db2.gz VFXHRQLYTOPHKM-UHFFFAOYSA-N 1 1 346.456 0.312 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000940867623 610403417 /nfs/dbraw/zinc/40/34/17/610403417.db2.gz GTKYUDUYBUZRDU-ZDUSSCGKSA-N 1 1 334.420 0.742 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000941597029 610414482 /nfs/dbraw/zinc/41/44/82/610414482.db2.gz YOWLSZIIQQYVEA-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000942369810 610418730 /nfs/dbraw/zinc/41/87/30/610418730.db2.gz ZFWORKLRYDLILX-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC000941632536 610418712 /nfs/dbraw/zinc/41/87/12/610418712.db2.gz JLCPELKXXBBZKN-OAHLLOKOSA-N 1 1 343.475 0.919 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn(CC4CC4)c3)CC2)C1 ZINC000941632833 610419197 /nfs/dbraw/zinc/41/91/97/610419197.db2.gz SYXZEYBNFRZXLL-UHFFFAOYSA-N 1 1 341.459 0.758 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCCN(C)C3=O)CC2)C1 ZINC000941639433 610424353 /nfs/dbraw/zinc/42/43/53/610424353.db2.gz RVTCYTMACRKOLX-KRWDZBQOSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(C)n(C)nc3Cl)CC2)C1 ZINC000941653526 610443225 /nfs/dbraw/zinc/44/32/25/610443225.db2.gz XNGMJEIDFVAFQJ-UHFFFAOYSA-N 1 1 349.866 0.847 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000941671248 610444772 /nfs/dbraw/zinc/44/47/72/610444772.db2.gz FHXMKGUFPBDYSU-HNNXBMFYSA-N 1 1 343.475 0.919 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000942430361 610449245 /nfs/dbraw/zinc/44/92/45/610449245.db2.gz UNGSWFVDGHOJOI-ZACQAIPSSA-N 1 1 346.475 0.285 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000940939936 610451693 /nfs/dbraw/zinc/45/16/93/610451693.db2.gz UFFZMGLGTOTKKE-OAHLLOKOSA-N 1 1 336.480 0.601 20 30 ECEDMO C[NH+](C)[C@@H](C(=O)N1CCN(C2CN(CC#N)C2)CC1)c1ccccc1 ZINC000941679175 610452134 /nfs/dbraw/zinc/45/21/34/610452134.db2.gz SGRHJIYXQOUOMM-GOSISDBHSA-N 1 1 341.459 0.641 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC000941666442 610457513 /nfs/dbraw/zinc/45/75/13/610457513.db2.gz ZPMLXOPFHVVNPH-UHFFFAOYSA-N 1 1 334.464 0.403 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)CC2(C)C)c1 ZINC000941015878 610495402 /nfs/dbraw/zinc/49/54/02/610495402.db2.gz WEVYUVJUYCFBMJ-SWLSCSKDSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)CC2(C)C)c1 ZINC000941015878 610495403 /nfs/dbraw/zinc/49/54/03/610495403.db2.gz WEVYUVJUYCFBMJ-SWLSCSKDSA-N 1 1 328.416 0.767 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](C)C1 ZINC000942548192 610507944 /nfs/dbraw/zinc/50/79/44/610507944.db2.gz RTBCVMXBCZVROY-CMPLNLGQSA-N 1 1 330.396 0.320 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000941085390 610528874 /nfs/dbraw/zinc/52/88/74/610528874.db2.gz OKLPVMDVBVRBLA-KGLIPLIRSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941085881 610529360 /nfs/dbraw/zinc/52/93/60/610529360.db2.gz YARJRJQFTPKGRV-WCQYABFASA-N 1 1 334.424 0.168 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941085881 610529363 /nfs/dbraw/zinc/52/93/63/610529363.db2.gz YARJRJQFTPKGRV-WCQYABFASA-N 1 1 334.424 0.168 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000941105625 610539291 /nfs/dbraw/zinc/53/92/91/610539291.db2.gz PCWJCEZJPUOEQV-LLVKDONJSA-N 1 1 342.827 0.507 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000941105625 610539292 /nfs/dbraw/zinc/53/92/92/610539292.db2.gz PCWJCEZJPUOEQV-LLVKDONJSA-N 1 1 342.827 0.507 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000941879529 610550325 /nfs/dbraw/zinc/55/03/25/610550325.db2.gz IXQQBXFSGFLRPA-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@H]1C[N@@H+](CCN2CCNC2=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941928653 610566865 /nfs/dbraw/zinc/56/68/65/610566865.db2.gz FWGABSIQJXFKRH-JSGCOSHPSA-N 1 1 344.419 0.352 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941942397 610571460 /nfs/dbraw/zinc/57/14/60/610571460.db2.gz IODQVQPTEAUYLW-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941942399 610571494 /nfs/dbraw/zinc/57/14/94/610571494.db2.gz IODQVQPTEAUYLW-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000941147184 610573556 /nfs/dbraw/zinc/57/35/56/610573556.db2.gz FWFCREOXCPIYEZ-AWEZNQCLSA-N 1 1 345.447 0.231 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941967803 610581223 /nfs/dbraw/zinc/58/12/23/610581223.db2.gz UPTTTYOLVQSJTF-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941967079 610581308 /nfs/dbraw/zinc/58/13/08/610581308.db2.gz PWOBGDGBUGRRHN-WFASDCNBSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941968954 610581984 /nfs/dbraw/zinc/58/19/84/610581984.db2.gz ZEUPZZWUHUXJHR-FZMZJTMJSA-N 1 1 329.404 0.605 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941227089 610611007 /nfs/dbraw/zinc/61/10/07/610611007.db2.gz ZZZRSAFZXLSLLV-RYUDHWBXSA-N 1 1 349.884 0.647 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941227089 610611008 /nfs/dbraw/zinc/61/10/08/610611008.db2.gz ZZZRSAFZXLSLLV-RYUDHWBXSA-N 1 1 349.884 0.647 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN([C@H](C)C(N)=O)CC2(C)C)CC1 ZINC000941237411 610620859 /nfs/dbraw/zinc/62/08/59/610620859.db2.gz MVHFIIXDANVXTI-ZBFHGGJFSA-N 1 1 348.491 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccccc2O)C1 ZINC000941237994 610621511 /nfs/dbraw/zinc/62/15/11/610621511.db2.gz ORSWCZUSPSONLT-ZBFHGGJFSA-N 1 1 341.411 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccccc2O)C1 ZINC000941237994 610621514 /nfs/dbraw/zinc/62/15/14/610621514.db2.gz ORSWCZUSPSONLT-ZBFHGGJFSA-N 1 1 341.411 0.821 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnc(C)cn2)C1 ZINC000941237756 610621682 /nfs/dbraw/zinc/62/16/82/610621682.db2.gz IYZYGYAARAJOFD-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnc(C)cn2)C1 ZINC000941237756 610621685 /nfs/dbraw/zinc/62/16/85/610621685.db2.gz IYZYGYAARAJOFD-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cn(C)nc2C)C1 ZINC000941237788 610621718 /nfs/dbraw/zinc/62/17/18/610621718.db2.gz JUXKYZHIMGGNBK-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cn(C)nc2C)C1 ZINC000941237788 610621720 /nfs/dbraw/zinc/62/17/20/610621720.db2.gz JUXKYZHIMGGNBK-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnc(C)s2)C1 ZINC000941238067 610622225 /nfs/dbraw/zinc/62/22/25/610622225.db2.gz RVLUEQGPEUWYEZ-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnc(C)s2)C1 ZINC000941238067 610622226 /nfs/dbraw/zinc/62/22/26/610622226.db2.gz RVLUEQGPEUWYEZ-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000942801891 610628976 /nfs/dbraw/zinc/62/89/76/610628976.db2.gz MTEMEJSHYKJYDZ-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC000941349156 610685615 /nfs/dbraw/zinc/68/56/15/610685615.db2.gz VHKPDJWGNCERCL-MAUKXSAKSA-N 1 1 342.443 0.708 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)CC1 ZINC000941348931 610685626 /nfs/dbraw/zinc/68/56/26/610685626.db2.gz SYSDIIOXKMWPJQ-HOCLYGCPSA-N 1 1 334.464 0.790 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000941351354 610687312 /nfs/dbraw/zinc/68/73/12/610687312.db2.gz PKLVCPPKZHJHOO-UONOGXRCSA-N 1 1 329.404 0.981 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000942196195 610691909 /nfs/dbraw/zinc/69/19/09/610691909.db2.gz OPQCZTBZXGNBDD-WCQYABFASA-N 1 1 339.417 0.391 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2cnon2)C1 ZINC000942935804 610692706 /nfs/dbraw/zinc/69/27/06/610692706.db2.gz LYYNTYOIWRWBEA-ZFWWWQNUSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2cnon2)C1 ZINC000942935804 610692709 /nfs/dbraw/zinc/69/27/09/610692709.db2.gz LYYNTYOIWRWBEA-ZFWWWQNUSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2-n2cnnn2)[C@@H](C)C1 ZINC000942207094 610696404 /nfs/dbraw/zinc/69/64/04/610696404.db2.gz JJPGTDYDSYNFKI-NWDGAFQWSA-N 1 1 330.417 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cncn1C ZINC000944116096 610747862 /nfs/dbraw/zinc/74/78/62/610747862.db2.gz LJLJHCRBBHKGOD-CABCVRRESA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cncn1C ZINC000944116096 610747864 /nfs/dbraw/zinc/74/78/64/610747864.db2.gz LJLJHCRBBHKGOD-CABCVRRESA-N 1 1 343.431 0.239 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000944141251 610754321 /nfs/dbraw/zinc/75/43/21/610754321.db2.gz DZNOMSNSWSORAM-CQSZACIVSA-N 1 1 340.387 0.812 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H](C)C1 ZINC000943229857 610756115 /nfs/dbraw/zinc/75/61/15/610756115.db2.gz FDTCADCFVAJDEY-UONOGXRCSA-N 1 1 344.419 0.294 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C[C@@H]2C)cn1 ZINC000944213179 610785808 /nfs/dbraw/zinc/78/58/08/610785808.db2.gz BXSNGYOWHJNNNW-SUMWQHHRSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)CSC)C1 ZINC000943335894 610807440 /nfs/dbraw/zinc/80/74/40/610807440.db2.gz KIWNGMJSYQFXGT-GJZGRUSLSA-N 1 1 337.489 0.944 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)CSC)C1 ZINC000943335894 610807441 /nfs/dbraw/zinc/80/74/41/610807441.db2.gz KIWNGMJSYQFXGT-GJZGRUSLSA-N 1 1 337.489 0.944 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2cn[nH]c2)C1 ZINC000943337016 610807856 /nfs/dbraw/zinc/80/78/56/610807856.db2.gz PCCSXOCSURZXNI-CVEARBPZSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2cn[nH]c2)C1 ZINC000943337016 610807858 /nfs/dbraw/zinc/80/78/58/610807858.db2.gz PCCSXOCSURZXNI-CVEARBPZSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](OC)C(C)C ZINC000944260850 610811937 /nfs/dbraw/zinc/81/19/37/610811937.db2.gz YMYWFQYEBJBPCK-IKGGRYGDSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](OC)C(C)C ZINC000944260850 610811939 /nfs/dbraw/zinc/81/19/39/610811939.db2.gz YMYWFQYEBJBPCK-IKGGRYGDSA-N 1 1 349.475 0.862 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000944277408 610819463 /nfs/dbraw/zinc/81/94/63/610819463.db2.gz NXUFVWQTMGFBCU-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000944906032 610834672 /nfs/dbraw/zinc/83/46/72/610834672.db2.gz GWRNMWMIVLQUNM-LSDHHAIUSA-N 1 1 343.493 0.120 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](C)C1 ZINC000943516330 610881701 /nfs/dbraw/zinc/88/17/01/610881701.db2.gz LMDHKBJXAFOCBH-LSDHHAIUSA-N 1 1 346.435 0.029 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H](C)C1 ZINC000944444148 610889703 /nfs/dbraw/zinc/88/97/03/610889703.db2.gz JKNJDHZXIFQFJV-YPMHNXCESA-N 1 1 325.372 0.804 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC000945056580 610894906 /nfs/dbraw/zinc/89/49/06/610894906.db2.gz WFYFXFRIERKIDS-CABCVRRESA-N 1 1 332.448 0.939 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 ZINC000943672951 610936720 /nfs/dbraw/zinc/93/67/20/610936720.db2.gz ATPNLLLLGKBJEK-GXSJLCMTSA-N 1 1 328.800 0.117 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 ZINC000943672951 610936721 /nfs/dbraw/zinc/93/67/21/610936721.db2.gz ATPNLLLLGKBJEK-GXSJLCMTSA-N 1 1 328.800 0.117 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCO1 ZINC000944645804 611054898 /nfs/dbraw/zinc/05/48/98/611054898.db2.gz ZGDGFOKYPPGHCT-QXSJWSMHSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCO1 ZINC000944645804 611054901 /nfs/dbraw/zinc/05/49/01/611054901.db2.gz ZGDGFOKYPPGHCT-QXSJWSMHSA-N 1 1 333.432 0.084 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 ZINC000943986175 611069695 /nfs/dbraw/zinc/06/96/95/611069695.db2.gz DJLYRTJIZYFLTN-OLZOCXBDSA-N 1 1 336.436 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1nc(C)c[nH]1 ZINC000944043813 611093435 /nfs/dbraw/zinc/09/34/35/611093435.db2.gz UEKMSLOZQVVZBZ-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1nc(C)c[nH]1 ZINC000944043813 611093436 /nfs/dbraw/zinc/09/34/36/611093436.db2.gz UEKMSLOZQVVZBZ-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1nonc1C ZINC000944111015 611128537 /nfs/dbraw/zinc/12/85/37/611128537.db2.gz ZGMNOWNICDNRKP-KGLIPLIRSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1nonc1C ZINC000944111015 611128538 /nfs/dbraw/zinc/12/85/38/611128538.db2.gz ZGMNOWNICDNRKP-KGLIPLIRSA-N 1 1 345.403 0.196 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cnsn1 ZINC000944098067 611130811 /nfs/dbraw/zinc/13/08/11/611130811.db2.gz SXFONLMVPNDNQA-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cnsn1 ZINC000944098067 611130813 /nfs/dbraw/zinc/13/08/13/611130813.db2.gz SXFONLMVPNDNQA-OCCSQVGLSA-N 1 1 347.444 0.357 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000945836726 611148670 /nfs/dbraw/zinc/14/86/70/611148670.db2.gz KZRXWANRDIWZHV-HNNXBMFYSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000945836726 611148671 /nfs/dbraw/zinc/14/86/71/611148671.db2.gz KZRXWANRDIWZHV-HNNXBMFYSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000923270654 611222737 /nfs/dbraw/zinc/22/27/37/611222737.db2.gz WHNCIOXNTMMJFO-UONOGXRCSA-N 1 1 341.477 0.691 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000946092702 611227826 /nfs/dbraw/zinc/22/78/26/611227826.db2.gz MCUASWPHPVOSFK-SWLSCSKDSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000946092700 611227856 /nfs/dbraw/zinc/22/78/56/611227856.db2.gz MCUASWPHPVOSFK-IUODEOHRSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)CC[C@@H]2C1 ZINC000946890146 611230510 /nfs/dbraw/zinc/23/05/10/611230510.db2.gz GPEWPNPOASRRCG-GASCZTMLSA-N 1 1 338.415 0.470 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)CC[C@@H]2C1 ZINC000946907019 611249731 /nfs/dbraw/zinc/24/97/31/611249731.db2.gz RFNSQTQHGDLIFL-OKILXGFUSA-N 1 1 326.400 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(Br)nnn2C)C1 ZINC000923558913 611260810 /nfs/dbraw/zinc/26/08/10/611260810.db2.gz AKUKTXIXJSRSAK-VIFPVBQESA-N 1 1 326.198 0.405 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(Br)nnn2C)C1 ZINC000923558913 611260812 /nfs/dbraw/zinc/26/08/12/611260812.db2.gz AKUKTXIXJSRSAK-VIFPVBQESA-N 1 1 326.198 0.405 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC000923564100 611263706 /nfs/dbraw/zinc/26/37/06/611263706.db2.gz UDCZQMGPHGGUAX-OAHLLOKOSA-N 1 1 329.400 0.265 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)Cc2ccc(O)cc2)C1 ZINC000923564100 611263708 /nfs/dbraw/zinc/26/37/08/611263708.db2.gz UDCZQMGPHGGUAX-OAHLLOKOSA-N 1 1 329.400 0.265 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC000923565789 611264102 /nfs/dbraw/zinc/26/41/02/611264102.db2.gz LCYZBICQVGIXSR-NWDGAFQWSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 ZINC000923565789 611264103 /nfs/dbraw/zinc/26/41/03/611264103.db2.gz LCYZBICQVGIXSR-NWDGAFQWSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3c(cnn3C)c2OC)C1 ZINC000923565664 611264110 /nfs/dbraw/zinc/26/41/10/611264110.db2.gz KHGWJIQGRKMIFX-LBPRGKRZSA-N 1 1 327.388 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(cnn3C)c2OC)C1 ZINC000923565664 611264111 /nfs/dbraw/zinc/26/41/11/611264111.db2.gz KHGWJIQGRKMIFX-LBPRGKRZSA-N 1 1 327.388 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000923579997 611268382 /nfs/dbraw/zinc/26/83/82/611268382.db2.gz VMXZXCWABYEMKA-UONOGXRCSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000923579997 611268383 /nfs/dbraw/zinc/26/83/83/611268383.db2.gz VMXZXCWABYEMKA-UONOGXRCSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2C)C1 ZINC000923591638 611270906 /nfs/dbraw/zinc/27/09/06/611270906.db2.gz AEWDILQSRMMMMC-CYBMUJFWSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2C)C1 ZINC000923591638 611270907 /nfs/dbraw/zinc/27/09/07/611270907.db2.gz AEWDILQSRMMMMC-CYBMUJFWSA-N 1 1 335.429 0.470 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)CC)CC2)C1 ZINC000923591465 611271012 /nfs/dbraw/zinc/27/10/12/611271012.db2.gz BJGHHMYWNHAVLA-OAHLLOKOSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)CC)CC2)C1 ZINC000923591465 611271014 /nfs/dbraw/zinc/27/10/14/611271014.db2.gz BJGHHMYWNHAVLA-OAHLLOKOSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000923594082 611275078 /nfs/dbraw/zinc/27/50/78/611275078.db2.gz ZCPQBHHAFIFNJX-HNNXBMFYSA-N 1 1 349.456 0.569 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000923594082 611275080 /nfs/dbraw/zinc/27/50/80/611275080.db2.gz ZCPQBHHAFIFNJX-HNNXBMFYSA-N 1 1 349.456 0.569 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000946512493 611293475 /nfs/dbraw/zinc/29/34/75/611293475.db2.gz NUPXGQJXRVEBFJ-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]2CC1 ZINC000946514781 611295141 /nfs/dbraw/zinc/29/51/41/611295141.db2.gz OKNYPVGPUFYPRL-NCOADZHNSA-N 1 1 345.447 0.574 20 30 ECEDMO N#CCC1(CS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000921910928 611325641 /nfs/dbraw/zinc/32/56/41/611325641.db2.gz MXYXXYSEBYEFGV-CQSZACIVSA-N 1 1 327.450 0.853 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921911922 611326215 /nfs/dbraw/zinc/32/62/15/611326215.db2.gz UKKWWMZAXSPYGP-UKRRQHHQSA-N 1 1 344.481 0.556 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 ZINC000948673510 611350642 /nfs/dbraw/zinc/35/06/42/611350642.db2.gz AZWAJCTYJZMKTE-INIZCTEOSA-N 1 1 336.480 0.697 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)n1 ZINC000922450173 611351233 /nfs/dbraw/zinc/35/12/33/611351233.db2.gz RQRKNWYQIBMZNJ-RYUDHWBXSA-N 1 1 335.437 0.029 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@H]2Cc3cc(OC)ccc3O2)CC1 ZINC000929511619 611761507 /nfs/dbraw/zinc/76/15/07/611761507.db2.gz PWOATVBSRMYNKX-QGZVFWFLSA-N 1 1 343.427 0.366 20 30 ECEDMO C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000948962002 611773147 /nfs/dbraw/zinc/77/31/47/611773147.db2.gz NUQPQQURBFUETD-IKGGRYGDSA-N 1 1 325.412 0.847 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934274307 611784811 /nfs/dbraw/zinc/78/48/11/611784811.db2.gz ODIFLIMGJLCUTK-KZNAEPCWSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934274307 611784812 /nfs/dbraw/zinc/78/48/12/611784812.db2.gz ODIFLIMGJLCUTK-KZNAEPCWSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934274307 611784814 /nfs/dbraw/zinc/78/48/14/611784814.db2.gz ODIFLIMGJLCUTK-KZNAEPCWSA-N 1 1 345.443 0.829 20 30 ECEDMO CCN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000949891853 611802514 /nfs/dbraw/zinc/80/25/14/611802514.db2.gz ZDHTYLNAYBLBSF-HNNXBMFYSA-N 1 1 342.403 0.290 20 30 ECEDMO C#C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000934514354 611805326 /nfs/dbraw/zinc/80/53/26/611805326.db2.gz QGFMVNPXAULPPV-OAHLLOKOSA-N 1 1 341.415 0.991 20 30 ECEDMO C#C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000934514354 611805331 /nfs/dbraw/zinc/80/53/31/611805331.db2.gz QGFMVNPXAULPPV-OAHLLOKOSA-N 1 1 341.415 0.991 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)Cn1cnnn1)CCO2 ZINC000949024598 611813696 /nfs/dbraw/zinc/81/36/96/611813696.db2.gz JEDNHUIKFQWQMM-UHFFFAOYSA-N 1 1 340.815 0.119 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccncc2)C1 ZINC000950645429 611814617 /nfs/dbraw/zinc/81/46/17/611814617.db2.gz WZGWNIMTXXWADN-OIISXLGYSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccncc2)C1 ZINC000950645429 611814619 /nfs/dbraw/zinc/81/46/19/611814619.db2.gz WZGWNIMTXXWADN-OIISXLGYSA-N 1 1 340.427 0.756 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3ccn(C)n3)CC2)C1 ZINC000949052206 611830141 /nfs/dbraw/zinc/83/01/41/611830141.db2.gz YTWLCRGYXPTWNN-AWEZNQCLSA-N 1 1 331.420 0.773 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC000949156044 611879936 /nfs/dbraw/zinc/87/99/36/611879936.db2.gz QTUWAJSCCLQIGN-UMVBOHGHSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccon2)C1 ZINC000950140011 611881496 /nfs/dbraw/zinc/88/14/96/611881496.db2.gz AOENPMOPEPFOJK-ZFWWWQNUSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccon2)C1 ZINC000950140011 611881498 /nfs/dbraw/zinc/88/14/98/611881498.db2.gz AOENPMOPEPFOJK-ZFWWWQNUSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1snnc1C ZINC000950752811 611888674 /nfs/dbraw/zinc/88/86/74/611888674.db2.gz DOJZKVOIBPWKFD-OLZOCXBDSA-N 1 1 347.444 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1snnc1C ZINC000950752811 611888677 /nfs/dbraw/zinc/88/86/77/611888677.db2.gz DOJZKVOIBPWKFD-OLZOCXBDSA-N 1 1 347.444 0.275 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1=CCOCC1 ZINC000950755286 611890766 /nfs/dbraw/zinc/89/07/66/611890766.db2.gz IRIQWRWIUMLJBR-HOTGVXAUSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1=CCOCC1 ZINC000950755286 611890769 /nfs/dbraw/zinc/89/07/69/611890769.db2.gz IRIQWRWIUMLJBR-HOTGVXAUSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(OC)o1 ZINC000950755058 611890936 /nfs/dbraw/zinc/89/09/36/611890936.db2.gz CGHMIUAQBLEGPW-KGLIPLIRSA-N 1 1 345.399 0.717 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(OC)o1 ZINC000950755058 611890937 /nfs/dbraw/zinc/89/09/37/611890937.db2.gz CGHMIUAQBLEGPW-KGLIPLIRSA-N 1 1 345.399 0.717 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccn(CC)n1 ZINC000950755754 611891329 /nfs/dbraw/zinc/89/13/29/611891329.db2.gz TWTPFBYTVHVWFN-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccn(CC)n1 ZINC000950755754 611891330 /nfs/dbraw/zinc/89/13/30/611891330.db2.gz TWTPFBYTVHVWFN-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1ccc(C)o1 ZINC000950755936 611891838 /nfs/dbraw/zinc/89/18/38/611891838.db2.gz YFYFWTBEASKJLY-WBVHZDCISA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1ccc(C)o1 ZINC000950755936 611891839 /nfs/dbraw/zinc/89/18/39/611891839.db2.gz YFYFWTBEASKJLY-WBVHZDCISA-N 1 1 343.427 0.945 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)O1 ZINC000950762136 611895089 /nfs/dbraw/zinc/89/50/89/611895089.db2.gz SIZXZGFIHHRFKU-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)O1 ZINC000950762136 611895092 /nfs/dbraw/zinc/89/50/92/611895092.db2.gz SIZXZGFIHHRFKU-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC000950197305 611902146 /nfs/dbraw/zinc/90/21/46/611902146.db2.gz WJGIPOXXTPHFQT-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949293719 611929933 /nfs/dbraw/zinc/92/99/33/611929933.db2.gz UWQCSQOZGBMVSY-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 ZINC000949362293 611952792 /nfs/dbraw/zinc/95/27/92/611952792.db2.gz HYMTYJXRCBZZBN-INIZCTEOSA-N 1 1 336.432 0.509 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC000949406366 611968075 /nfs/dbraw/zinc/96/80/75/611968075.db2.gz ZSCRSHMUGFFXDL-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000949450310 611985420 /nfs/dbraw/zinc/98/54/20/611985420.db2.gz YQKQWKBGZBLITD-IJEWVQPXSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC000949468302 611990235 /nfs/dbraw/zinc/99/02/35/611990235.db2.gz DBICQACYABKJKS-UHFFFAOYSA-N 1 1 345.399 0.709 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC000949468302 611990237 /nfs/dbraw/zinc/99/02/37/611990237.db2.gz DBICQACYABKJKS-UHFFFAOYSA-N 1 1 345.399 0.709 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949480733 611996216 /nfs/dbraw/zinc/99/62/16/611996216.db2.gz XVGWRELPZCENGK-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949480733 611996217 /nfs/dbraw/zinc/99/62/17/611996217.db2.gz XVGWRELPZCENGK-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000949514009 612016803 /nfs/dbraw/zinc/01/68/03/612016803.db2.gz PSCAFHKLPGLVMZ-CZPYZCIJSA-N 1 1 343.431 0.803 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CN(CC)CCO3)CC2)C1 ZINC000949529446 612022385 /nfs/dbraw/zinc/02/23/85/612022385.db2.gz UGZXMQZHGUGWMH-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CN(CC)CCO3)CC2)C1 ZINC000949529446 612022387 /nfs/dbraw/zinc/02/23/87/612022387.db2.gz UGZXMQZHGUGWMH-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC000949529473 612022401 /nfs/dbraw/zinc/02/24/01/612022401.db2.gz VSRVIQHFUNZTIA-UHFFFAOYSA-N 1 1 344.415 0.444 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC000949529481 612022545 /nfs/dbraw/zinc/02/25/45/612022545.db2.gz VZEWDPUPOBMLSU-UHFFFAOYSA-N 1 1 344.415 0.444 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC000949529481 612022547 /nfs/dbraw/zinc/02/25/47/612022547.db2.gz VZEWDPUPOBMLSU-UHFFFAOYSA-N 1 1 344.415 0.444 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534301 612024154 /nfs/dbraw/zinc/02/41/54/612024154.db2.gz VWLZSJJFOCEUBE-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCN1CC[C@H](N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC000950502303 612042431 /nfs/dbraw/zinc/04/24/31/612042431.db2.gz PEUQAFTXEPNQGU-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(CCc2cnn(C)c2)C1 ZINC000950534736 612058333 /nfs/dbraw/zinc/05/83/33/612058333.db2.gz YWYLLEDVZLPGMH-SFHVURJKSA-N 1 1 343.475 0.593 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(CCc2cnn(C)c2)C1 ZINC000950534736 612058334 /nfs/dbraw/zinc/05/83/34/612058334.db2.gz YWYLLEDVZLPGMH-SFHVURJKSA-N 1 1 343.475 0.593 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000951223777 612088232 /nfs/dbraw/zinc/08/82/32/612088232.db2.gz POMQNVFNIGMHRA-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000951223777 612088233 /nfs/dbraw/zinc/08/82/33/612088233.db2.gz POMQNVFNIGMHRA-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2nocc2C)C1 ZINC000951224219 612089391 /nfs/dbraw/zinc/08/93/91/612089391.db2.gz ZUAVWMSZTJFTKO-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2nocc2C)C1 ZINC000951224219 612089392 /nfs/dbraw/zinc/08/93/92/612089392.db2.gz ZUAVWMSZTJFTKO-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000951957641 612152723 /nfs/dbraw/zinc/15/27/23/612152723.db2.gz GIENXIPBVPXFCM-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CCC[C@H]2C)c1 ZINC000952014435 612177119 /nfs/dbraw/zinc/17/71/19/612177119.db2.gz LVGNBMLKPDCZTP-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000952014350 612177255 /nfs/dbraw/zinc/17/72/55/612177255.db2.gz KCCFPASIIBDRSW-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000951437187 612233287 /nfs/dbraw/zinc/23/32/87/612233287.db2.gz JGKSZKNIBWVRFU-SJORKVTESA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000951437187 612233288 /nfs/dbraw/zinc/23/32/88/612233288.db2.gz JGKSZKNIBWVRFU-SJORKVTESA-N 1 1 341.411 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@H]2CCOC2)CC1 ZINC000953799364 612287764 /nfs/dbraw/zinc/28/77/64/612287764.db2.gz DFRJNZGCRVSCON-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)[C@H]2CCOC2)CC1 ZINC000953799364 612287767 /nfs/dbraw/zinc/28/77/67/612287767.db2.gz DFRJNZGCRVSCON-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)C1CN(C(=O)C#CC2CC2)C1 ZINC000954510462 612348543 /nfs/dbraw/zinc/34/85/43/612348543.db2.gz BLRUIXDZSMGIOP-HNNXBMFYSA-N 1 1 326.400 0.843 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC000955262708 612391879 /nfs/dbraw/zinc/39/18/79/612391879.db2.gz JOPDFTABXZVFCG-QGZVFWFLSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c(C)cnn1C ZINC000951636776 612419895 /nfs/dbraw/zinc/41/98/95/612419895.db2.gz GYUHGMXVHAXYGT-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c(C)cnn1C ZINC000951636776 612419898 /nfs/dbraw/zinc/41/98/98/612419898.db2.gz GYUHGMXVHAXYGT-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncccc2F)C1 ZINC000954630818 612468051 /nfs/dbraw/zinc/46/80/51/612468051.db2.gz KUWUYSFOWRMYHQ-HNNXBMFYSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncccc2F)C1 ZINC000954630818 612468056 /nfs/dbraw/zinc/46/80/56/612468056.db2.gz KUWUYSFOWRMYHQ-HNNXBMFYSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000954631180 612469034 /nfs/dbraw/zinc/46/90/34/612469034.db2.gz RLVXDAIIXWDZAY-RDJZCZTQSA-N 1 1 346.475 0.095 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC000954631598 612470386 /nfs/dbraw/zinc/47/03/86/612470386.db2.gz ZNMHSMZSKBQLFD-AAEUAGOBSA-N 1 1 345.365 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC000954631598 612470389 /nfs/dbraw/zinc/47/03/89/612470389.db2.gz ZNMHSMZSKBQLFD-AAEUAGOBSA-N 1 1 345.365 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[C@H]2CCOC2)C1 ZINC000954631614 612470568 /nfs/dbraw/zinc/47/05/68/612470568.db2.gz ZVJBWFLOKNKVQB-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[C@H]2CCOC2)C1 ZINC000954631614 612470572 /nfs/dbraw/zinc/47/05/72/612470572.db2.gz ZVJBWFLOKNKVQB-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000951687051 612471692 /nfs/dbraw/zinc/47/16/92/612471692.db2.gz UEEJJYKFCOKDQC-BIVLZKPYSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000951687051 612471694 /nfs/dbraw/zinc/47/16/94/612471694.db2.gz UEEJJYKFCOKDQC-BIVLZKPYSA-N 1 1 329.444 0.847 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000954646585 612487830 /nfs/dbraw/zinc/48/78/30/612487830.db2.gz KGXASKQKMFNRHY-SIIHOXLZSA-N 1 1 337.464 0.977 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000954646585 612487833 /nfs/dbraw/zinc/48/78/33/612487833.db2.gz KGXASKQKMFNRHY-SIIHOXLZSA-N 1 1 337.464 0.977 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC000955365578 612503019 /nfs/dbraw/zinc/50/30/19/612503019.db2.gz SKCXRJICHMSMDV-MAZHCROVSA-N 1 1 346.431 0.849 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000953987658 612526428 /nfs/dbraw/zinc/52/64/28/612526428.db2.gz ITQJDNBLQVSWBU-DZGCQCFKSA-N 1 1 336.436 0.316 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000953987658 612526431 /nfs/dbraw/zinc/52/64/31/612526431.db2.gz ITQJDNBLQVSWBU-DZGCQCFKSA-N 1 1 336.436 0.316 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccn(C)c2)C1 ZINC000956821418 612585820 /nfs/dbraw/zinc/58/58/20/612585820.db2.gz NLBMBUFBGLRNJO-LPHOPBHVSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccn(C)c2)C1 ZINC000956821418 612585821 /nfs/dbraw/zinc/58/58/21/612585821.db2.gz NLBMBUFBGLRNJO-LPHOPBHVSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cn(C)cn2)C1 ZINC000956824762 612590966 /nfs/dbraw/zinc/59/09/66/612590966.db2.gz KNVGKYDTHQYJQA-YJBOKZPZSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cn(C)cn2)C1 ZINC000956824762 612590970 /nfs/dbraw/zinc/59/09/70/612590970.db2.gz KNVGKYDTHQYJQA-YJBOKZPZSA-N 1 1 343.431 0.239 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956837406 612607614 /nfs/dbraw/zinc/60/76/14/612607614.db2.gz LLMYWJRCHGSBQI-QGZVFWFLSA-N 1 1 340.387 0.812 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956842660 612616940 /nfs/dbraw/zinc/61/69/40/612616940.db2.gz JZKYFNFQDCLZLB-ACJLOTCBSA-N 1 1 343.431 0.949 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000956022017 612621811 /nfs/dbraw/zinc/62/18/11/612621811.db2.gz XEDCIQCXJKIFTM-AWEZNQCLSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCCO2)C1 ZINC000954068367 612623222 /nfs/dbraw/zinc/62/32/22/612623222.db2.gz MGAYHUUEZNURQB-JKSUJKDBSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCCO2)C1 ZINC000954068367 612623224 /nfs/dbraw/zinc/62/32/24/612623224.db2.gz MGAYHUUEZNURQB-JKSUJKDBSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nccs1 ZINC000951815594 612657224 /nfs/dbraw/zinc/65/72/24/612657224.db2.gz LQPWFHRJWQQHEY-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nccs1 ZINC000951815594 612657225 /nfs/dbraw/zinc/65/72/25/612657225.db2.gz LQPWFHRJWQQHEY-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1conc1C ZINC000956073487 612677526 /nfs/dbraw/zinc/67/75/26/612677526.db2.gz TVDAJYUDFSPLPV-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1conc1C ZINC000956073487 612677530 /nfs/dbraw/zinc/67/75/30/612677530.db2.gz TVDAJYUDFSPLPV-HOCLYGCPSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccnn2CC)C1 ZINC000954138701 612706056 /nfs/dbraw/zinc/70/60/56/612706056.db2.gz CAHDLMGJLUHENT-HNNXBMFYSA-N 1 1 343.431 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccnn2CC)C1 ZINC000954138701 612706057 /nfs/dbraw/zinc/70/60/57/612706057.db2.gz CAHDLMGJLUHENT-HNNXBMFYSA-N 1 1 343.431 0.283 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956110084 612715609 /nfs/dbraw/zinc/71/56/09/612715609.db2.gz QLNTZOUTJXAHES-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)CCc3cnc[nH]3)C2)nc1 ZINC000954913127 612782140 /nfs/dbraw/zinc/78/21/40/612782140.db2.gz QEMGRVXAUULUET-UHFFFAOYSA-N 1 1 337.383 0.702 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000954381829 612885345 /nfs/dbraw/zinc/88/53/45/612885345.db2.gz RFVRWQGWLYVAPZ-CYBMUJFWSA-N 1 1 346.435 0.089 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954392652 612888903 /nfs/dbraw/zinc/88/89/03/612888903.db2.gz VMAOICHGYDEERS-HFTRVMKXSA-N 1 1 349.475 0.979 20 30 ECEDMO Cc1nc(C#N)cnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738162 720745543 /nfs/dbraw/zinc/74/55/43/720745543.db2.gz DVMBJVYSQKMWFA-LSDHHAIUSA-N 1 1 337.387 0.789 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C#N)nc3C)CC[C@H]2C1 ZINC001164861577 720869744 /nfs/dbraw/zinc/86/97/44/720869744.db2.gz XYOFBVGVDLLBNU-GOEBONIOSA-N 1 1 331.420 0.830 20 30 ECEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H]1CCCO1)C2 ZINC001111515244 735289030 /nfs/dbraw/zinc/28/90/30/735289030.db2.gz QPWSCSICSBCWCN-TWMKSMIVSA-N 1 1 336.432 0.553 20 30 ECEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H]1CCCO1)C2 ZINC001111515244 735289033 /nfs/dbraw/zinc/28/90/33/735289033.db2.gz QPWSCSICSBCWCN-TWMKSMIVSA-N 1 1 336.432 0.553 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC001041785779 782200259 /nfs/dbraw/zinc/20/02/59/782200259.db2.gz NFANMPFAOSUTKT-QGZVFWFLSA-N 1 1 334.420 0.381 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccn4c(=O)[nH]nc34)C2)C1 ZINC001041786179 782202431 /nfs/dbraw/zinc/20/24/31/782202431.db2.gz RPTOPYHYVZSIPH-KRWDZBQOSA-N 1 1 325.372 0.606 20 30 ECEDMO CCSCCC(=O)NC[C@@H]1C[N@H+](CC#CCOC)CCCO1 ZINC001149262418 735431830 /nfs/dbraw/zinc/43/18/30/735431830.db2.gz GPDCCAJXTQHEPR-OAHLLOKOSA-N 1 1 328.478 0.987 20 30 ECEDMO CCSCCC(=O)NC[C@@H]1C[N@@H+](CC#CCOC)CCCO1 ZINC001149262418 735431831 /nfs/dbraw/zinc/43/18/31/735431831.db2.gz GPDCCAJXTQHEPR-OAHLLOKOSA-N 1 1 328.478 0.987 20 30 ECEDMO CCSCCC(=O)NC[C@H]1C[N@H+](CC#CCOC)CCCO1 ZINC001149262416 735432354 /nfs/dbraw/zinc/43/23/54/735432354.db2.gz GPDCCAJXTQHEPR-HNNXBMFYSA-N 1 1 328.478 0.987 20 30 ECEDMO CCSCCC(=O)NC[C@H]1C[N@@H+](CC#CCOC)CCCO1 ZINC001149262416 735432356 /nfs/dbraw/zinc/43/23/56/735432356.db2.gz GPDCCAJXTQHEPR-HNNXBMFYSA-N 1 1 328.478 0.987 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)Cc2nc3ncccn3n2)CC1 ZINC001098561113 735468293 /nfs/dbraw/zinc/46/82/93/735468293.db2.gz SDYXBBLLDXYYQT-UHFFFAOYSA-N 1 1 344.419 0.138 20 30 ECEDMO C=C(Cl)CN(CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001098561185 735471422 /nfs/dbraw/zinc/47/14/22/735471422.db2.gz VVBCUJAJRQXSMS-AWEZNQCLSA-N 1 1 329.872 0.976 20 30 ECEDMO C=C(Cl)CN(CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098561185 735471426 /nfs/dbraw/zinc/47/14/26/735471426.db2.gz VVBCUJAJRQXSMS-AWEZNQCLSA-N 1 1 329.872 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2O)cc1 ZINC001024981889 738457054 /nfs/dbraw/zinc/45/70/54/738457054.db2.gz VJCQVBFBWJAHGC-IXDOHACOSA-N 1 1 341.411 0.064 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)cc(=O)oc2C)[C@@H](n2ccnn2)C1 ZINC001069974730 790267559 /nfs/dbraw/zinc/26/75/59/790267559.db2.gz NMZGXNYLHUEBAL-KGLIPLIRSA-N 1 1 343.387 0.689 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cc(=O)oc2C)[C@@H](n2ccnn2)C1 ZINC001069974730 790267563 /nfs/dbraw/zinc/26/75/63/790267563.db2.gz NMZGXNYLHUEBAL-KGLIPLIRSA-N 1 1 343.387 0.689 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001069976168 790269352 /nfs/dbraw/zinc/26/93/52/790269352.db2.gz JYLPVXFGDDWXSV-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](C)C(=O)NC)C3)C2)cn1 ZINC001041793263 782221853 /nfs/dbraw/zinc/22/18/53/782221853.db2.gz IHBWPPOIJLIQRD-IFXJQAMLSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C)on3)C2)C1=O ZINC000969263211 731656791 /nfs/dbraw/zinc/65/67/91/731656791.db2.gz GOAFDYSTRYOJHC-WFASDCNBSA-N 1 1 332.404 0.820 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005406 738534113 /nfs/dbraw/zinc/53/41/13/738534113.db2.gz GFJJVIYUMHYONT-AWEZNQCLSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005406 738534115 /nfs/dbraw/zinc/53/41/15/738534115.db2.gz GFJJVIYUMHYONT-AWEZNQCLSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(COC)on1 ZINC001114939093 731750343 /nfs/dbraw/zinc/75/03/43/731750343.db2.gz BKLGZDKBOQAUEC-MUYACECFSA-N 1 1 348.403 0.172 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(COC)on1 ZINC001114939093 731750346 /nfs/dbraw/zinc/75/03/46/731750346.db2.gz BKLGZDKBOQAUEC-MUYACECFSA-N 1 1 348.403 0.172 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@]2(C)CCC(=O)N2)C1 ZINC001211499084 731751033 /nfs/dbraw/zinc/75/10/33/731751033.db2.gz JRDMVRXUPNKTBW-IIDMSEBBSA-N 1 1 335.448 0.522 20 30 ECEDMO CN1CCC[C@H]([N@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973007207 738536792 /nfs/dbraw/zinc/53/67/92/738536792.db2.gz WAVHKIZAMKNWOM-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cscn3)C2)C1=O ZINC000969398774 731796979 /nfs/dbraw/zinc/79/69/79/731796979.db2.gz LACNSWUJQVDMJM-FZMZJTMJSA-N 1 1 334.445 0.980 20 30 ECEDMO CN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973011974 738542716 /nfs/dbraw/zinc/54/27/16/738542716.db2.gz YDCJKVJCZVPZLO-KBPBESRZSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973011974 738542717 /nfs/dbraw/zinc/54/27/17/738542717.db2.gz YDCJKVJCZVPZLO-KBPBESRZSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001041806170 782239880 /nfs/dbraw/zinc/23/98/80/782239880.db2.gz VGJCAUARBAGEQN-JKSUJKDBSA-N 1 1 341.477 0.569 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1 ZINC001098522857 731844527 /nfs/dbraw/zinc/84/45/27/731844527.db2.gz VZPOSBJDJYIOJH-UHFFFAOYSA-N 1 1 331.416 0.606 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CN(C)CCO1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969442352 731888803 /nfs/dbraw/zinc/88/88/03/731888803.db2.gz QCJZIAOCJJMDGC-LPHOPBHVSA-N 1 1 341.455 0.805 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C2)C1 ZINC001041809903 782247855 /nfs/dbraw/zinc/24/78/55/782247855.db2.gz UNWIBVGFYIGMRZ-GOSISDBHSA-N 1 1 337.383 0.902 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cccn4)n3)[C@H]2C1 ZINC001083190286 731901621 /nfs/dbraw/zinc/90/16/21/731901621.db2.gz GMIAAXWIDIOHCM-JKSUJKDBSA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cccn4)n3)[C@H]2C1 ZINC001083190286 731901623 /nfs/dbraw/zinc/90/16/23/731901623.db2.gz GMIAAXWIDIOHCM-JKSUJKDBSA-N 1 1 339.399 0.979 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969463307 731910183 /nfs/dbraw/zinc/91/01/83/731910183.db2.gz MWJZGVVWIRFEMS-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO CC(C)N1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000969467727 731917652 /nfs/dbraw/zinc/91/76/52/731917652.db2.gz XPIXLEIMVZWETN-LRDDRELGSA-N 1 1 343.431 0.946 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C)ncn3)C2)C1=O ZINC000969509011 731937641 /nfs/dbraw/zinc/93/76/41/731937641.db2.gz RNAHEVVJLOCVLP-CZUORRHYSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3nccc(C)n3)C2)C1=O ZINC000969588001 731987902 /nfs/dbraw/zinc/98/79/02/731987902.db2.gz INCOMBMBSUZHOJ-HIFRSBDPSA-N 1 1 343.431 0.622 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@@H](C)C#N)C3)C1 ZINC000969694547 732054055 /nfs/dbraw/zinc/05/40/55/732054055.db2.gz KGEVRHXSFDZHML-CAOSSQGBSA-N 1 1 348.447 0.457 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@@H](C)C#N)C3)C1 ZINC000969694547 732054059 /nfs/dbraw/zinc/05/40/59/732054059.db2.gz KGEVRHXSFDZHML-CAOSSQGBSA-N 1 1 348.447 0.457 20 30 ECEDMO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973047239 738583454 /nfs/dbraw/zinc/58/34/54/738583454.db2.gz IVBZWWVDUJDXDD-KBPBESRZSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973047239 738583459 /nfs/dbraw/zinc/58/34/59/738583459.db2.gz IVBZWWVDUJDXDD-KBPBESRZSA-N 1 1 329.404 0.605 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973048316 738584723 /nfs/dbraw/zinc/58/47/23/738584723.db2.gz RBWSHDZDZICSDP-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cc(C)ncn2)C1 ZINC000969865472 732461485 /nfs/dbraw/zinc/46/14/85/732461485.db2.gz OVPYNAGOUUILQY-QAPCUYQASA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cc(C)ncn2)C1 ZINC000969865472 732461487 /nfs/dbraw/zinc/46/14/87/732461487.db2.gz OVPYNAGOUUILQY-QAPCUYQASA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cnns2)C1 ZINC000969865067 732461613 /nfs/dbraw/zinc/46/16/13/732461613.db2.gz IWDZZWZNNCCNNS-WFASDCNBSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cnns2)C1 ZINC000969865067 732461618 /nfs/dbraw/zinc/46/16/18/732461618.db2.gz IWDZZWZNNCCNNS-WFASDCNBSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 ZINC000969865040 732461876 /nfs/dbraw/zinc/46/18/76/732461876.db2.gz HZXLZUQZXAIBOH-XKQJLSEDSA-N 1 1 330.432 0.958 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC000969878821 732477714 /nfs/dbraw/zinc/47/77/14/732477714.db2.gz PPOQZBKNKHGTRU-CYBMUJFWSA-N 1 1 331.420 0.855 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCC4CC4)C[C@H]32)nn1 ZINC001114941789 732589810 /nfs/dbraw/zinc/58/98/10/732589810.db2.gz GFBYXYVVPFHVLU-FOLVSLTJSA-N 1 1 331.420 0.551 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](C[C@H](CC)OC)C[C@H]1O ZINC001078081968 782274122 /nfs/dbraw/zinc/27/41/22/782274122.db2.gz ADJXUUUTTCCSFV-RCCFBDPRSA-N 1 1 330.428 0.797 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)C(=O)N2CC[C@H](C)C2)CC1 ZINC001098528494 732881226 /nfs/dbraw/zinc/88/12/26/732881226.db2.gz HLRZEXCMDODZKA-HNNXBMFYSA-N 1 1 337.464 0.716 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)CN3CCOCC3)C2)C1 ZINC001041834993 782308386 /nfs/dbraw/zinc/30/83/86/782308386.db2.gz PBHAQBPICUBVEY-IEBWSBKVSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)CN3CCOCC3)C2)C1 ZINC001041834993 782308391 /nfs/dbraw/zinc/30/83/91/782308391.db2.gz PBHAQBPICUBVEY-IEBWSBKVSA-N 1 1 333.476 0.902 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCCN(C)C2=O)CC1 ZINC001098532799 733052919 /nfs/dbraw/zinc/05/29/19/733052919.db2.gz FUJAJPAEFWCYAC-KRWDZBQOSA-N 1 1 349.475 0.554 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3nccn4ccnc34)[C@H]2C1 ZINC001083197788 733055882 /nfs/dbraw/zinc/05/58/82/733055882.db2.gz JTCUPFNMCJJIOF-UONOGXRCSA-N 1 1 327.388 0.831 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC001098533063 733061113 /nfs/dbraw/zinc/06/11/13/733061113.db2.gz QMVUMAILUISTQI-CQSZACIVSA-N 1 1 330.432 0.433 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC001098533151 733065047 /nfs/dbraw/zinc/06/50/47/733065047.db2.gz UTLMLXRVIAFNQV-AWEZNQCLSA-N 1 1 332.448 0.986 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(C(N)=O)cn3)[C@H]2C1 ZINC001083199695 733122620 /nfs/dbraw/zinc/12/26/20/733122620.db2.gz QRYKFYNKQKFDJU-JKSUJKDBSA-N 1 1 342.399 0.037 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(C(N)=O)cn3)[C@H]2C1 ZINC001083199695 733122623 /nfs/dbraw/zinc/12/26/23/733122623.db2.gz QRYKFYNKQKFDJU-JKSUJKDBSA-N 1 1 342.399 0.037 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nn(CC)nc3C)C2)nn1 ZINC000970206153 733200078 /nfs/dbraw/zinc/20/00/78/733200078.db2.gz PVWZLLYXONNVLV-CYBMUJFWSA-N 1 1 344.423 0.388 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC000970206662 733201813 /nfs/dbraw/zinc/20/18/13/733201813.db2.gz HDEGNPAPVQJITA-GFCCVEGCSA-N 1 1 327.388 0.404 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970263877 733272174 /nfs/dbraw/zinc/27/21/74/733272174.db2.gz GKUYRTMASZLCRA-HZMBPMFUSA-N 1 1 332.429 0.692 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970263886 733272184 /nfs/dbraw/zinc/27/21/84/733272184.db2.gz GORPWJPZIAIKTJ-IAQYHMDHSA-N 1 1 344.390 0.770 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)cc1 ZINC001078120183 782333662 /nfs/dbraw/zinc/33/36/62/782333662.db2.gz ZDBVLVQPRPXBTA-HZPDHXFCSA-N 1 1 338.367 0.634 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)cc1 ZINC001078120183 782333671 /nfs/dbraw/zinc/33/36/71/782333671.db2.gz ZDBVLVQPRPXBTA-HZPDHXFCSA-N 1 1 338.367 0.634 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC001098536592 733356161 /nfs/dbraw/zinc/35/61/61/733356161.db2.gz NUQCTSCMBACLDX-UHFFFAOYSA-N 1 1 333.432 0.860 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)CCCOC)CC2)nc1 ZINC001098536610 733358836 /nfs/dbraw/zinc/35/88/36/733358836.db2.gz OSQJSDUXIRLIOY-UHFFFAOYSA-N 1 1 345.443 0.998 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cncc(C#N)n1 ZINC001104253321 733367958 /nfs/dbraw/zinc/36/79/58/733367958.db2.gz KVNRKHHRJJYEQB-HIFRSBDPSA-N 1 1 326.404 0.610 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1cncc(C#N)n1 ZINC001104253321 733367963 /nfs/dbraw/zinc/36/79/63/733367963.db2.gz KVNRKHHRJJYEQB-HIFRSBDPSA-N 1 1 326.404 0.610 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNc2nccnc2C#N)CC1 ZINC001067471057 733407624 /nfs/dbraw/zinc/40/76/24/733407624.db2.gz PSVOUKVKQDDTQQ-AWEZNQCLSA-N 1 1 344.419 0.208 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2O)C1 ZINC000970379262 733444612 /nfs/dbraw/zinc/44/46/12/733444612.db2.gz YUMRMPPZQXSYBT-XHSDSOJGSA-N 1 1 349.475 0.905 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC000970397734 733464781 /nfs/dbraw/zinc/46/47/81/733464781.db2.gz GEHZFCARABZVTQ-GUYCJALGSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)C[C@H](C)O)CC2)cn1 ZINC001098537309 733580243 /nfs/dbraw/zinc/58/02/43/733580243.db2.gz XXMUXEXMGQUMAO-AWEZNQCLSA-N 1 1 331.416 0.343 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCNC3=O)C2)cc1 ZINC000970538573 733657555 /nfs/dbraw/zinc/65/75/55/733657555.db2.gz QNXKWNLROVFRLQ-CXAGYDPISA-N 1 1 341.411 0.637 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2cc(=O)n3ccsc3n2)c1 ZINC001125391328 733680656 /nfs/dbraw/zinc/68/06/56/733680656.db2.gz ZFNSUWVMNLMFJR-UHFFFAOYSA-N 1 1 342.384 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC000973106450 738754173 /nfs/dbraw/zinc/75/41/73/738754173.db2.gz OJLXXBGRGRVYJY-DZKIICNBSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC000973106450 738754175 /nfs/dbraw/zinc/75/41/75/738754175.db2.gz OJLXXBGRGRVYJY-DZKIICNBSA-N 1 1 343.431 0.203 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC000970758232 733915635 /nfs/dbraw/zinc/91/56/35/733915635.db2.gz ZJBCFXMIRSQFLF-NSHDSACASA-N 1 1 325.368 0.644 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970759754 733916940 /nfs/dbraw/zinc/91/69/40/733916940.db2.gz JVLRDOLORDYMFF-CYBMUJFWSA-N 1 1 344.415 0.232 20 30 ECEDMO CCc1cc(N2CCO[C@@H](CNC(=O)CSCC#N)C2)nc(C)[nH+]1 ZINC001104292734 734012215 /nfs/dbraw/zinc/01/22/15/734012215.db2.gz HEAZNJKHJJRQEF-AWEZNQCLSA-N 1 1 349.460 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H](C)COC ZINC001078158088 782397703 /nfs/dbraw/zinc/39/77/03/782397703.db2.gz PTJSZCWVULLBEI-PMPSAXMXSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H](C)COC ZINC001078158088 782397713 /nfs/dbraw/zinc/39/77/13/782397713.db2.gz PTJSZCWVULLBEI-PMPSAXMXSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cnn3cc[nH]c23)CC1 ZINC001098546284 734180125 /nfs/dbraw/zinc/18/01/25/734180125.db2.gz WQVOFSVWZYYWLW-UHFFFAOYSA-N 1 1 329.404 0.585 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CNc3ccc(C#N)cn3)CC2)C1 ZINC001067476764 734194020 /nfs/dbraw/zinc/19/40/20/734194020.db2.gz DYYAAUVLDGTZNQ-OAHLLOKOSA-N 1 1 343.431 0.670 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C)no3)C2)C1=O ZINC000971070670 734230997 /nfs/dbraw/zinc/23/09/97/734230997.db2.gz FNAAAOFAPKVSOM-KGLIPLIRSA-N 1 1 332.404 0.916 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(c2cc(CC)[nH+]c(C)n2)CCO1 ZINC001104316926 734258908 /nfs/dbraw/zinc/25/89/08/734258908.db2.gz LYEWFMHKPRYIDW-MAUKXSAKSA-N 1 1 348.447 0.996 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3cn(C)nc3C)[C@H]2C1 ZINC001083213727 734342671 /nfs/dbraw/zinc/34/26/71/734342671.db2.gz ORGSOELFZQIINS-DLBZAZTESA-N 1 1 330.432 0.596 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3cn(C)nc3C)[C@H]2C1 ZINC001083213727 734342674 /nfs/dbraw/zinc/34/26/74/734342674.db2.gz ORGSOELFZQIINS-DLBZAZTESA-N 1 1 330.432 0.596 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCS(N)(=O)=O)C1 ZINC001211508835 734361879 /nfs/dbraw/zinc/36/18/79/734361879.db2.gz LAJFPANIDRMQQF-ZIAGYGMSSA-N 1 1 329.466 0.295 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3nc(C4CC4)no3)[C@H]2C1 ZINC001083216307 734461275 /nfs/dbraw/zinc/46/12/75/734461275.db2.gz SQMGTAIUKDCMRV-LSDHHAIUSA-N 1 1 344.415 0.815 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000971376217 734488162 /nfs/dbraw/zinc/48/81/62/734488162.db2.gz JDKUYQYEILISSJ-HZPDHXFCSA-N 1 1 341.415 0.820 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC000971380704 734491054 /nfs/dbraw/zinc/49/10/54/734491054.db2.gz UTVXCXAGWCYXKN-MSOLQXFVSA-N 1 1 342.443 0.922 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000971380704 734491057 /nfs/dbraw/zinc/49/10/57/734491057.db2.gz UTVXCXAGWCYXKN-MSOLQXFVSA-N 1 1 342.443 0.922 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3ccnn3C)C2)C1=O ZINC000971430262 734574679 /nfs/dbraw/zinc/57/46/79/734574679.db2.gz UKGLONASFGUBOS-HOTGVXAUSA-N 1 1 345.447 0.282 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3ncc[nH]3)C2)C1=O ZINC000971434501 734587789 /nfs/dbraw/zinc/58/77/89/734587789.db2.gz YCZXMILGUWNKGN-HUUCEWRRSA-N 1 1 345.447 0.662 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971452277 734611825 /nfs/dbraw/zinc/61/18/25/734611825.db2.gz PXYFCTZQCDJDQG-GXFFZTMASA-N 1 1 334.401 0.761 20 30 ECEDMO Cn1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001078175988 782432782 /nfs/dbraw/zinc/43/27/82/782432782.db2.gz VTFLRECHAOKPLS-HZPDHXFCSA-N 1 1 325.372 0.267 20 30 ECEDMO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001078175988 782432789 /nfs/dbraw/zinc/43/27/89/782432789.db2.gz VTFLRECHAOKPLS-HZPDHXFCSA-N 1 1 325.372 0.267 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3n[nH]cc3C)C2)C1=O ZINC000971517156 734704879 /nfs/dbraw/zinc/70/48/79/734704879.db2.gz JWUUJEVBHKJZJE-KBPBESRZSA-N 1 1 331.420 0.651 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC001083221501 734818293 /nfs/dbraw/zinc/81/82/93/734818293.db2.gz FCFMFGXCRRCXHO-FGTMMUONSA-N 1 1 347.459 0.712 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC001083221501 734818296 /nfs/dbraw/zinc/81/82/96/734818296.db2.gz FCFMFGXCRRCXHO-FGTMMUONSA-N 1 1 347.459 0.712 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971640599 734864664 /nfs/dbraw/zinc/86/46/64/734864664.db2.gz HKKQVMXYWUBEPI-LBPRGKRZSA-N 1 1 335.857 0.307 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971640599 734864669 /nfs/dbraw/zinc/86/46/69/734864669.db2.gz HKKQVMXYWUBEPI-LBPRGKRZSA-N 1 1 335.857 0.307 20 30 ECEDMO COCC#CC[NH2+]C1CC(CNC(=O)CCCCc2cn[nH]n2)C1 ZINC001100533209 734882919 /nfs/dbraw/zinc/88/29/19/734882919.db2.gz OVOSZGAOVMWLCM-UHFFFAOYSA-N 1 1 333.436 0.652 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)c[nH]1 ZINC000973188972 738877641 /nfs/dbraw/zinc/87/76/41/738877641.db2.gz KKSOOQIJUKWKLC-DEYYWGMASA-N 1 1 341.415 0.749 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000973188951 738877657 /nfs/dbraw/zinc/87/76/57/738877657.db2.gz JUEXJWQAVZMNCJ-HDJSIYSDSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000973181683 738873482 /nfs/dbraw/zinc/87/34/82/738873482.db2.gz YREISBZGISUXMM-FMKGYKFTSA-N 1 1 329.404 0.461 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CCSC)C1 ZINC001149168240 735157987 /nfs/dbraw/zinc/15/79/87/735157987.db2.gz PNIJLPIPQYSPOP-ZIAGYGMSSA-N 1 1 341.477 0.085 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CCSC)C1 ZINC001149168240 735157989 /nfs/dbraw/zinc/15/79/89/735157989.db2.gz PNIJLPIPQYSPOP-ZIAGYGMSSA-N 1 1 341.477 0.085 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4ccnc4)ccn3)[C@H]2C1 ZINC001083238826 735554234 /nfs/dbraw/zinc/55/42/34/735554234.db2.gz CZPNXNHNJGSGMR-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4ccnc4)ccn3)[C@H]2C1 ZINC001083238826 735554237 /nfs/dbraw/zinc/55/42/37/735554237.db2.gz CZPNXNHNJGSGMR-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(OC)nn3)[C@H]2C1 ZINC001083240820 735622439 /nfs/dbraw/zinc/62/24/39/735622439.db2.gz ZNZHVVTUBABGEO-LSDHHAIUSA-N 1 1 332.404 0.977 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCN(C(=O)CC)C3)[C@H]2C1 ZINC001083241751 735642624 /nfs/dbraw/zinc/64/26/24/735642624.db2.gz XIVJIMZWVBDBOP-HRCADAONSA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCN(C(=O)CC)C3)[C@H]2C1 ZINC001083241751 735642625 /nfs/dbraw/zinc/64/26/25/735642625.db2.gz XIVJIMZWVBDBOP-HRCADAONSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCN(C(=O)CC)C3)[C@H]2C1 ZINC001083241409 735643108 /nfs/dbraw/zinc/64/31/08/735643108.db2.gz FDKZLXDMXLKGEX-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3csc(COC)n3)[C@H]2C1 ZINC001083243624 735698416 /nfs/dbraw/zinc/69/84/16/735698416.db2.gz LYZYBEVJIUULIP-LSDHHAIUSA-N 1 1 349.456 0.767 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3csc(COC)n3)[C@H]2C1 ZINC001083243624 735698419 /nfs/dbraw/zinc/69/84/19/735698419.db2.gz LYZYBEVJIUULIP-LSDHHAIUSA-N 1 1 349.456 0.767 20 30 ECEDMO C[C@@H]1CCN(C(=O)C(N)=O)[C@H](C[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001087206803 735708069 /nfs/dbraw/zinc/70/80/69/735708069.db2.gz FNIIENQZXHAIBO-ABAIWWIYSA-N 1 1 332.379 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cnc(C)n3C)C2)C1=O ZINC000972177569 735758300 /nfs/dbraw/zinc/75/83/00/735758300.db2.gz QLNJGUWXEGEBRF-LSDHHAIUSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@@H](N(C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000972235302 735821835 /nfs/dbraw/zinc/82/18/35/735821835.db2.gz MWYSFLJOZYGURG-IAGOWNOFSA-N 1 1 348.491 0.648 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1 ZINC000972242323 735831119 /nfs/dbraw/zinc/83/11/19/735831119.db2.gz HSNGDCNOMIGCDG-IIAWOOMASA-N 1 1 341.415 0.511 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnn4)cc3)[C@H]2C1 ZINC001083245846 735835662 /nfs/dbraw/zinc/83/56/62/735835662.db2.gz LVZREHFKFHPBAK-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnn4)cc3)[C@H]2C1 ZINC001083245846 735835664 /nfs/dbraw/zinc/83/56/64/735835664.db2.gz LVZREHFKFHPBAK-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001058909055 751364516 /nfs/dbraw/zinc/36/45/16/751364516.db2.gz SPMMXLMEKMIECB-GOEBONIOSA-N 1 1 329.404 0.109 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001058909055 751364523 /nfs/dbraw/zinc/36/45/23/751364523.db2.gz SPMMXLMEKMIECB-GOEBONIOSA-N 1 1 329.404 0.109 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCCC3=O)C2)c1 ZINC000972292397 735900097 /nfs/dbraw/zinc/90/00/97/735900097.db2.gz PRYKXNXIYPDRNG-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000972340458 735968223 /nfs/dbraw/zinc/96/82/23/735968223.db2.gz WVVPAZAMFHWVEW-MAUKXSAKSA-N 1 1 335.448 0.782 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@@H]2CCOC2)CCO3)[nH]1 ZINC000972340473 735968288 /nfs/dbraw/zinc/96/82/88/735968288.db2.gz XDLVFPBUMYHTBN-KSSFIOAISA-N 1 1 344.415 0.840 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972343464 735976730 /nfs/dbraw/zinc/97/67/30/735976730.db2.gz RBTMYYSLXWNLAH-GDLCADMTSA-N 1 1 332.429 0.774 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)CC1 ZINC001098569370 736074918 /nfs/dbraw/zinc/07/49/18/736074918.db2.gz IDTCHQAPMSCEDG-GOSISDBHSA-N 1 1 349.475 0.016 20 30 ECEDMO C=C[C@H](C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1)c1ccccc1 ZINC001098569449 736078487 /nfs/dbraw/zinc/07/84/87/736078487.db2.gz MYYTZLDOJDKVIU-KRWDZBQOSA-N 1 1 345.443 0.727 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394201 736113991 /nfs/dbraw/zinc/11/39/91/736113991.db2.gz AHTPZSWTROXBRK-KRWDZBQOSA-N 1 1 340.387 0.065 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394201 736113992 /nfs/dbraw/zinc/11/39/92/736113992.db2.gz AHTPZSWTROXBRK-KRWDZBQOSA-N 1 1 340.387 0.065 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001078219982 782512981 /nfs/dbraw/zinc/51/29/81/782512981.db2.gz ULSCAXDIKJRMLY-RRFJBIMHSA-N 1 1 333.436 0.276 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 ZINC000972408001 736137677 /nfs/dbraw/zinc/13/76/77/736137677.db2.gz IGDPYXRHAMJXDZ-CRAIPNDOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 ZINC000972408001 736137679 /nfs/dbraw/zinc/13/76/79/736137679.db2.gz IGDPYXRHAMJXDZ-CRAIPNDOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000972409062 736141075 /nfs/dbraw/zinc/14/10/75/736141075.db2.gz NXIUHXDCLZDIBI-AEFFLSMTSA-N 1 1 347.463 0.303 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@]2(C1)C[N@H+](C[C@H](C)O)CCO2 ZINC000972414282 736151796 /nfs/dbraw/zinc/15/17/96/736151796.db2.gz YUYUJWNDOGDCKM-MAUKXSAKSA-N 1 1 333.432 0.972 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@]2(C1)C[N@@H+](C[C@H](C)O)CCO2 ZINC000972414282 736151799 /nfs/dbraw/zinc/15/17/99/736151799.db2.gz YUYUJWNDOGDCKM-MAUKXSAKSA-N 1 1 333.432 0.972 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC000972412892 736153113 /nfs/dbraw/zinc/15/31/13/736153113.db2.gz BPFSPNYRANFJEB-QGZVFWFLSA-N 1 1 332.404 0.769 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC000972412892 736153116 /nfs/dbraw/zinc/15/31/16/736153116.db2.gz BPFSPNYRANFJEB-QGZVFWFLSA-N 1 1 332.404 0.769 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C)N2CCCCC2=O)CC1 ZINC001098571817 736195453 /nfs/dbraw/zinc/19/54/53/736195453.db2.gz XJFAIMCMHGWKBK-INIZCTEOSA-N 1 1 349.475 0.696 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000972443806 736209073 /nfs/dbraw/zinc/20/90/73/736209073.db2.gz MOLYBYCRCFGHRB-MAUKXSAKSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3nc(C)cc3C)C2)C1 ZINC000972459683 736254667 /nfs/dbraw/zinc/25/46/67/736254667.db2.gz ZNTGISBPWARLDM-SFHVURJKSA-N 1 1 330.432 0.827 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3nc(C)cc3C)C2)C1 ZINC000972459683 736254668 /nfs/dbraw/zinc/25/46/68/736254668.db2.gz ZNTGISBPWARLDM-SFHVURJKSA-N 1 1 330.432 0.827 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)ccc3=O)[C@H]2C1 ZINC001083255012 736308243 /nfs/dbraw/zinc/30/82/43/736308243.db2.gz YSTJVZNNHRQHMX-LSDHHAIUSA-N 1 1 332.404 0.039 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncs2)C1 ZINC001022990865 736370330 /nfs/dbraw/zinc/37/03/30/736370330.db2.gz LHQPDNLYKZXYTL-TXEJJXNPSA-N 1 1 343.412 0.996 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972493137 736386078 /nfs/dbraw/zinc/38/60/78/736386078.db2.gz VWQPQCMFBYKQID-YJBOKZPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972493137 736386083 /nfs/dbraw/zinc/38/60/83/736386083.db2.gz VWQPQCMFBYKQID-YJBOKZPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972494055 736390432 /nfs/dbraw/zinc/39/04/32/736390432.db2.gz NSFIOFKNFNVNFG-QGZVFWFLSA-N 1 1 342.403 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@H]2CCOC2)C1 ZINC001059846745 751371745 /nfs/dbraw/zinc/37/17/45/751371745.db2.gz CZUMYBQGHSEVDE-ULQDDVLXSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@H]2CCOC2)C1 ZINC001059846745 751371752 /nfs/dbraw/zinc/37/17/52/751371752.db2.gz CZUMYBQGHSEVDE-ULQDDVLXSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000972524664 736569627 /nfs/dbraw/zinc/56/96/27/736569627.db2.gz VHSOTMICTGEISY-VQIMIIECSA-N 1 1 342.443 0.690 20 30 ECEDMO C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001039580456 736597077 /nfs/dbraw/zinc/59/70/77/736597077.db2.gz VAKDYRVEBFPXJD-YJBOKZPZSA-N 1 1 335.448 0.354 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC001023295933 736655757 /nfs/dbraw/zinc/65/57/57/736655757.db2.gz LJRPVDRMSXZJQS-AWEZNQCLSA-N 1 1 343.431 0.951 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001023295846 736655799 /nfs/dbraw/zinc/65/57/99/736655799.db2.gz JPXBSSOXDLMRLI-ZDUSSCGKSA-N 1 1 329.404 0.560 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 ZINC000972546379 736662085 /nfs/dbraw/zinc/66/20/85/736662085.db2.gz OBWCWVUOGHNKHJ-GOSISDBHSA-N 1 1 331.416 0.878 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001023320111 736680146 /nfs/dbraw/zinc/68/01/46/736680146.db2.gz RFGOSERZJRJHJG-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972551623 736699923 /nfs/dbraw/zinc/69/99/23/736699923.db2.gz FHBSQNDUGKDHTF-JTDSTZFVSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cn(C)nn3)C2)C1=O ZINC001023351220 736721645 /nfs/dbraw/zinc/72/16/45/736721645.db2.gz TUHZIQJQIPNAQW-UKRRQHHQSA-N 1 1 346.435 0.044 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001023410038 736790038 /nfs/dbraw/zinc/79/00/38/736790038.db2.gz MJKNRWGRLZSSJV-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001023410038 736790041 /nfs/dbraw/zinc/79/00/41/736790041.db2.gz MJKNRWGRLZSSJV-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001023445054 736841769 /nfs/dbraw/zinc/84/17/69/736841769.db2.gz DZKLORQLIZJJBJ-ZDUSSCGKSA-N 1 1 332.404 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001023449264 736847208 /nfs/dbraw/zinc/84/72/08/736847208.db2.gz LHPAEJINGDGHCO-ZIAGYGMSSA-N 1 1 331.420 0.398 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001023447706 736850669 /nfs/dbraw/zinc/85/06/69/736850669.db2.gz UEJQXGOSLLDQFD-LBPRGKRZSA-N 1 1 339.417 0.392 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001023476271 736885841 /nfs/dbraw/zinc/88/58/41/736885841.db2.gz KQZRMAYIIVZXHJ-OAHLLOKOSA-N 1 1 346.431 0.355 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001023476939 736886654 /nfs/dbraw/zinc/88/66/54/736886654.db2.gz ZLFNXGQYDJJBGU-CQSZACIVSA-N 1 1 334.420 0.518 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(OC)n3)C2)C1 ZINC000972582853 736948710 /nfs/dbraw/zinc/94/87/10/736948710.db2.gz OHFVCRWEXCEWII-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(OC)n3)C2)C1 ZINC000972582853 736948711 /nfs/dbraw/zinc/94/87/11/736948711.db2.gz OHFVCRWEXCEWII-KRWDZBQOSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CCCOCC(=O)N1CCC([N@@H+](CCO)C[C@H]2CCOC2)CC1 ZINC001098577899 737008973 /nfs/dbraw/zinc/00/89/73/737008973.db2.gz SURKIUUKVNNNGI-MRXNPFEDSA-N 1 1 340.464 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2ncc[nH]2)C1 ZINC001059847352 751381993 /nfs/dbraw/zinc/38/19/93/751381993.db2.gz PTWLQJNWSFCPJT-GJZGRUSLSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2ncc[nH]2)C1 ZINC001059847352 751382000 /nfs/dbraw/zinc/38/20/00/751382000.db2.gz PTWLQJNWSFCPJT-GJZGRUSLSA-N 1 1 343.431 0.476 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c1 ZINC000981969803 751384073 /nfs/dbraw/zinc/38/40/73/751384073.db2.gz UNVPDEBGFGBXIV-CVEARBPZSA-N 1 1 326.400 0.714 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c1 ZINC000981969803 751384077 /nfs/dbraw/zinc/38/40/77/751384077.db2.gz UNVPDEBGFGBXIV-CVEARBPZSA-N 1 1 326.400 0.714 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)CCOCCOC)CC1 ZINC001098579674 737139750 /nfs/dbraw/zinc/13/97/50/737139750.db2.gz IRKNLKDYNWEHEB-UHFFFAOYSA-N 1 1 328.453 0.901 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972629176 737157015 /nfs/dbraw/zinc/15/70/15/737157015.db2.gz YASDONXBJVYNGP-QGZVFWFLSA-N 1 1 332.404 0.978 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001023675357 737184706 /nfs/dbraw/zinc/18/47/06/737184706.db2.gz XVFYBZCRNWAKPY-HUUCEWRRSA-N 1 1 333.436 0.942 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001023692857 737207317 /nfs/dbraw/zinc/20/73/17/737207317.db2.gz MQUNUZCTBHXYJZ-GJZGRUSLSA-N 1 1 331.420 0.705 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001023710134 737229029 /nfs/dbraw/zinc/22/90/29/737229029.db2.gz IIRVTELARJPSAY-YOEHRIQHSA-N 1 1 340.427 0.783 20 30 ECEDMO C#CC[NH+]1CCC2(CC1)CN(C(=O)CCc1nc[nH]n1)C[C@H](C)O2 ZINC001098580586 737239575 /nfs/dbraw/zinc/23/95/75/737239575.db2.gz OPYSAUUPRVESDD-AWEZNQCLSA-N 1 1 331.420 0.452 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972656421 737264464 /nfs/dbraw/zinc/26/44/64/737264464.db2.gz SWJSRNAZWDFSDA-KRWDZBQOSA-N 1 1 334.420 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972656421 737264468 /nfs/dbraw/zinc/26/44/68/737264468.db2.gz SWJSRNAZWDFSDA-KRWDZBQOSA-N 1 1 334.420 0.922 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972678298 737357976 /nfs/dbraw/zinc/35/79/76/737357976.db2.gz UJYGEHPOMPMMFM-MRXNPFEDSA-N 1 1 334.376 0.411 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972678298 737357979 /nfs/dbraw/zinc/35/79/79/737357979.db2.gz UJYGEHPOMPMMFM-MRXNPFEDSA-N 1 1 334.376 0.411 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001023783454 737368232 /nfs/dbraw/zinc/36/82/32/737368232.db2.gz JAQJQOKRLFFSHA-BZUAXINKSA-N 1 1 335.448 0.372 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069992684 790287359 /nfs/dbraw/zinc/28/73/59/790287359.db2.gz PGPMOJOAFYPUAZ-KGLIPLIRSA-N 1 1 329.408 0.470 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069992684 790287363 /nfs/dbraw/zinc/28/73/63/790287363.db2.gz PGPMOJOAFYPUAZ-KGLIPLIRSA-N 1 1 329.408 0.470 20 30 ECEDMO C=CCOCC[N@H+](CCO)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001098584045 737661002 /nfs/dbraw/zinc/66/10/02/737661002.db2.gz KZLOCJADPKFSNR-UHFFFAOYSA-N 1 1 336.436 0.371 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cn[nH]c3)C(C)(C)C2)C1=O ZINC000972834532 737758404 /nfs/dbraw/zinc/75/84/04/737758404.db2.gz KGAPXPQISMXRAI-ZIAGYGMSSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cn[nH]c3)C(C)(C)C2)C1=O ZINC000972834532 737758406 /nfs/dbraw/zinc/75/84/06/737758406.db2.gz KGAPXPQISMXRAI-ZIAGYGMSSA-N 1 1 331.420 0.637 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCn1cccn1 ZINC001024488339 738015768 /nfs/dbraw/zinc/01/57/68/738015768.db2.gz XKCCDRVAVQIVBY-ROUUACIJSA-N 1 1 343.475 0.951 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1 ZINC001098586679 738024169 /nfs/dbraw/zinc/02/41/69/738024169.db2.gz KZNRHHUROVDHDY-INIZCTEOSA-N 1 1 337.464 0.443 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)c2cnc(OCC)cn2)CC1 ZINC001098587244 738078683 /nfs/dbraw/zinc/07/86/83/738078683.db2.gz XYTFGZLPDPHCBL-UHFFFAOYSA-N 1 1 346.431 0.798 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1 ZINC001098587177 738079421 /nfs/dbraw/zinc/07/94/21/738079421.db2.gz VZNGTBMIVQOPDR-HNNXBMFYSA-N 1 1 332.448 0.832 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CN=NC3=O)C(C)(C)[C@@H]21 ZINC001087282318 738098544 /nfs/dbraw/zinc/09/85/44/738098544.db2.gz WLPFPVXMGZCMOC-BPLDGKMQSA-N 1 1 331.420 0.612 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CCO)[C@@H]3C2(C)C)nn1 ZINC001087305995 738203791 /nfs/dbraw/zinc/20/37/91/738203791.db2.gz BQKGAVKXXTYTNL-YUELXQCFSA-N 1 1 333.436 0.675 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC(N)=O)[C@H]3C2(C)C)nn1 ZINC001087306003 738203840 /nfs/dbraw/zinc/20/38/40/738203840.db2.gz BRYAUYWLSUQAKN-NILFDRSVSA-N 1 1 346.435 0.168 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CC(N)=O)[C@H]3C2(C)C)nn1 ZINC001087306003 738203842 /nfs/dbraw/zinc/20/38/42/738203842.db2.gz BRYAUYWLSUQAKN-NILFDRSVSA-N 1 1 346.435 0.168 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC1 ZINC001024659947 738207653 /nfs/dbraw/zinc/20/76/53/738207653.db2.gz IHBYLVKSHJHHDV-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC1 ZINC001024659947 738207656 /nfs/dbraw/zinc/20/76/56/738207656.db2.gz IHBYLVKSHJHHDV-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ccncn2)C1=O ZINC001024718256 738247299 /nfs/dbraw/zinc/24/72/99/738247299.db2.gz OHNLYMKUFWXZID-GDBMZVCRSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ccncn2)C1=O ZINC001024718256 738247300 /nfs/dbraw/zinc/24/73/00/738247300.db2.gz OHNLYMKUFWXZID-GDBMZVCRSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C(C)(C)[C@@H]21 ZINC001087316370 738271752 /nfs/dbraw/zinc/27/17/52/738271752.db2.gz QPTZSFBQONAAHB-FVQBIDKESA-N 1 1 345.447 0.129 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C(C)(C)[C@H]21 ZINC001087316592 738272039 /nfs/dbraw/zinc/27/20/39/738272039.db2.gz UUDUPTDNTXHTFQ-XBFCOCLRSA-N 1 1 344.415 0.338 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2nonc2C)C1=O ZINC001024824911 738325746 /nfs/dbraw/zinc/32/57/46/738325746.db2.gz ALGPQSKWAKZXLD-KBPBESRZSA-N 1 1 347.419 0.749 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2nonc2C)C1=O ZINC001024824911 738325750 /nfs/dbraw/zinc/32/57/50/738325750.db2.gz ALGPQSKWAKZXLD-KBPBESRZSA-N 1 1 347.419 0.749 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025241235 738905026 /nfs/dbraw/zinc/90/50/26/738905026.db2.gz VOOCSTGXKSMHIU-DLBZAZTESA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025241534 738906971 /nfs/dbraw/zinc/90/69/71/738906971.db2.gz YDDSPJRHSIIRLY-CVEARBPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCCNC1=O ZINC001025248455 738928294 /nfs/dbraw/zinc/92/82/94/738928294.db2.gz ZZSRLLFSOTUTMY-CVEARBPZSA-N 1 1 332.448 0.880 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025259374 738944694 /nfs/dbraw/zinc/94/46/94/738944694.db2.gz OTPDZHUHIVVKBZ-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025280396 739002696 /nfs/dbraw/zinc/00/26/96/739002696.db2.gz OHXYKTQZYVQIDR-LSDHHAIUSA-N 1 1 348.447 0.960 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001025280572 739002981 /nfs/dbraw/zinc/00/29/81/739002981.db2.gz PRQMNGDNUNEFHQ-HOTGVXAUSA-N 1 1 330.436 0.932 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccncc2C#N)C1 ZINC001104578924 739009351 /nfs/dbraw/zinc/00/93/51/739009351.db2.gz GJRNPMGXGIYJSK-CJNGLKHVSA-N 1 1 331.420 0.355 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ccncc2C#N)C1 ZINC001104578924 739009353 /nfs/dbraw/zinc/00/93/53/739009353.db2.gz GJRNPMGXGIYJSK-CJNGLKHVSA-N 1 1 331.420 0.355 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC000973284673 739046691 /nfs/dbraw/zinc/04/66/91/739046691.db2.gz HBOKSJZECXZKMN-IHRRRGAJSA-N 1 1 346.435 0.325 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2cc(C)ncc2C#N)C1 ZINC001104580014 739083425 /nfs/dbraw/zinc/08/34/25/739083425.db2.gz UYUTWGYMKDBRGN-RHSMWYFYSA-N 1 1 345.447 0.663 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2cc(C)ncc2C#N)C1 ZINC001104580014 739083429 /nfs/dbraw/zinc/08/34/29/739083429.db2.gz UYUTWGYMKDBRGN-RHSMWYFYSA-N 1 1 345.447 0.663 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2nccnc2C#N)C1 ZINC001104579954 739087489 /nfs/dbraw/zinc/08/74/89/739087489.db2.gz SUAFJLOJTGGEGH-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2nccnc2C#N)C1 ZINC001104579954 739087493 /nfs/dbraw/zinc/08/74/93/739087493.db2.gz SUAFJLOJTGGEGH-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cnn(C)c2)nn1 ZINC001028187805 751420271 /nfs/dbraw/zinc/42/02/71/751420271.db2.gz OEDMANMUDGBNPG-CQSZACIVSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cnn(C)c2)nn1 ZINC001028187805 751420275 /nfs/dbraw/zinc/42/02/75/751420275.db2.gz OEDMANMUDGBNPG-CQSZACIVSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cn(C)nc2C)nn1 ZINC001028188071 751420726 /nfs/dbraw/zinc/42/07/26/751420726.db2.gz SEIXNNJQTDRXSP-OAHLLOKOSA-N 1 1 343.435 0.900 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cn(C)nc2C)nn1 ZINC001028188071 751420730 /nfs/dbraw/zinc/42/07/30/751420730.db2.gz SEIXNNJQTDRXSP-OAHLLOKOSA-N 1 1 343.435 0.900 20 30 ECEDMO C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104623133 739256678 /nfs/dbraw/zinc/25/66/78/739256678.db2.gz UAHUIUFTTGTLKU-ZDUSSCGKSA-N 1 1 332.408 0.329 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCCNC2=O)nn1 ZINC001028193026 751433055 /nfs/dbraw/zinc/43/30/55/751433055.db2.gz UUFAGTVXEOVVGE-DZGCQCFKSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCCNC2=O)nn1 ZINC001028193026 751433058 /nfs/dbraw/zinc/43/30/58/751433058.db2.gz UUFAGTVXEOVVGE-DZGCQCFKSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCCNC2=O)nn1 ZINC001028193029 751434390 /nfs/dbraw/zinc/43/43/90/751434390.db2.gz UUFAGTVXEOVVGE-ZFWWWQNUSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCCNC2=O)nn1 ZINC001028193029 751434394 /nfs/dbraw/zinc/43/43/94/751434394.db2.gz UUFAGTVXEOVVGE-ZFWWWQNUSA-N 1 1 346.435 0.327 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@H+]([C@H](CC)C(N)=O)C3)c1 ZINC000982002373 751442466 /nfs/dbraw/zinc/44/24/66/751442466.db2.gz PBZZIGDYBUFJPX-MRXNPFEDSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001025458221 739571849 /nfs/dbraw/zinc/57/18/49/739571849.db2.gz HFPYRZMSNUPONZ-CHWSQXEVSA-N 1 1 332.404 0.957 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2O)CC1 ZINC001025484925 739646838 /nfs/dbraw/zinc/64/68/38/739646838.db2.gz ARTJFGGSPWWBIL-BZUAXINKSA-N 1 1 335.448 0.515 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282805 739653832 /nfs/dbraw/zinc/65/38/32/739653832.db2.gz UOJZGPPSICURKO-OWCLPIDISA-N 1 1 343.431 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001025501302 739661093 /nfs/dbraw/zinc/66/10/93/739661093.db2.gz CJMVISPXINJDNJ-HUUCEWRRSA-N 1 1 330.432 0.861 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccnc3c2nnn3C)C1 ZINC001025517935 739683922 /nfs/dbraw/zinc/68/39/22/739683922.db2.gz CKTSNNVQKSXVKM-QWHCGFSZSA-N 1 1 326.404 0.827 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001025556444 739715609 /nfs/dbraw/zinc/71/56/09/739715609.db2.gz UWDBKLQQDUJLAF-QWHCGFSZSA-N 1 1 327.388 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001025559690 739720553 /nfs/dbraw/zinc/72/05/53/739720553.db2.gz VIWLCRTWOISALG-ZIAGYGMSSA-N 1 1 341.415 0.795 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058653057 739791928 /nfs/dbraw/zinc/79/19/28/739791928.db2.gz LIUYDPOYMKSUPU-CYBMUJFWSA-N 1 1 335.408 0.069 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)cc1 ZINC001087380021 739793832 /nfs/dbraw/zinc/79/38/32/739793832.db2.gz MWYSSTJIFRYUHV-MLHJIOFPSA-N 1 1 337.423 0.936 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001025629477 739793947 /nfs/dbraw/zinc/79/39/47/739793947.db2.gz HBZKSRUOVHHCOQ-CHWSQXEVSA-N 1 1 334.424 0.170 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)C1 ZINC001058656431 739831762 /nfs/dbraw/zinc/83/17/62/739831762.db2.gz CTVQCDXZMMHIRJ-GJZGRUSLSA-N 1 1 338.452 0.061 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000982023289 751486606 /nfs/dbraw/zinc/48/66/06/751486606.db2.gz ALLHTUBKNSHAME-ILXRZTDVSA-N 1 1 333.432 0.390 20 30 ECEDMO COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001025705278 739882599 /nfs/dbraw/zinc/88/25/99/739882599.db2.gz KXLMCHBPIMNRNQ-SMLCLMEVSA-N 1 1 339.395 0.914 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001025705352 739883115 /nfs/dbraw/zinc/88/31/15/739883115.db2.gz MPYJKCKTMAPNOV-DMRKSPOLSA-N 1 1 339.395 0.914 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2cn(C(C)C)nn2)CC1 ZINC001098516023 751497593 /nfs/dbraw/zinc/49/75/93/751497593.db2.gz OLZGINMIYGVPIE-UHFFFAOYSA-N 1 1 333.436 0.781 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001025789808 739951658 /nfs/dbraw/zinc/95/16/58/739951658.db2.gz JRGDFHMDADUGAD-FPNFNFKQSA-N 1 1 347.459 0.681 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001025789840 739952419 /nfs/dbraw/zinc/95/24/19/739952419.db2.gz NMMJCRMWMNQIMX-RDGWLKQMSA-N 1 1 333.432 0.245 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCCN2C)C1=O ZINC001025820290 740006894 /nfs/dbraw/zinc/00/68/94/740006894.db2.gz JUYGZIHJZNSZIY-BQJWPVKWSA-N 1 1 346.475 0.304 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCCN2C)C1=O ZINC001025820290 740006898 /nfs/dbraw/zinc/00/68/98/740006898.db2.gz JUYGZIHJZNSZIY-BQJWPVKWSA-N 1 1 346.475 0.304 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001078233406 782533070 /nfs/dbraw/zinc/53/30/70/782533070.db2.gz YWDOHPLXWMYVRB-HUUCEWRRSA-N 1 1 329.404 0.628 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001078233406 782533073 /nfs/dbraw/zinc/53/30/73/782533073.db2.gz YWDOHPLXWMYVRB-HUUCEWRRSA-N 1 1 329.404 0.628 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)n3nc(C)cc3C)[C@H]2C1 ZINC001083289213 740316093 /nfs/dbraw/zinc/31/60/93/740316093.db2.gz YSMUBAINLSANMH-IXDOHACOSA-N 1 1 330.432 0.996 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4C[C@]45CCOC5)C[C@H]32)nn1 ZINC001026094173 740370019 /nfs/dbraw/zinc/37/00/19/740370019.db2.gz IZSHGFYEDHLONP-RIENRQNYSA-N 1 1 343.431 0.551 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001026101907 740376946 /nfs/dbraw/zinc/37/69/46/740376946.db2.gz SOLNJFPKAUTNEI-AJBGAQICSA-N 1 1 347.459 0.681 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)nn1 ZINC001087393228 740444710 /nfs/dbraw/zinc/44/47/10/740444710.db2.gz UIIGKBHCZYMYOG-FQLMCAECSA-N 1 1 331.420 0.239 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1 ZINC000982067745 751547408 /nfs/dbraw/zinc/54/74/08/751547408.db2.gz LMMAWKNHDKDNTK-UHFFFAOYSA-N 1 1 346.431 0.475 20 30 ECEDMO CN(C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1nccnc1C#N ZINC001058690200 740477235 /nfs/dbraw/zinc/47/72/35/740477235.db2.gz CYCUAIAHRDUMTJ-HUUCEWRRSA-N 1 1 342.447 0.975 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC000982089134 751571311 /nfs/dbraw/zinc/57/13/11/751571311.db2.gz QVSWBQWYNPOQDX-UHFFFAOYSA-N 1 1 330.432 0.971 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)CCCN(C)c1cc(CC)[nH+]c(C)n1 ZINC001112062954 740909360 /nfs/dbraw/zinc/90/93/60/740909360.db2.gz GFYRGXNFGXQLAR-UHFFFAOYSA-N 1 1 345.447 0.772 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974185097 741068442 /nfs/dbraw/zinc/06/84/42/741068442.db2.gz CUDUODYYWHVEGO-AQGHMYMLSA-N 1 1 335.448 0.681 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC000982115801 751608445 /nfs/dbraw/zinc/60/84/45/751608445.db2.gz BOUSVSCJZAJBQJ-UHFFFAOYSA-N 1 1 328.376 0.142 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000974263014 741192670 /nfs/dbraw/zinc/19/26/70/741192670.db2.gz JVZQTWSCCAZMNI-NRKLIOEPSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000974263014 741192674 /nfs/dbraw/zinc/19/26/74/741192674.db2.gz JVZQTWSCCAZMNI-NRKLIOEPSA-N 1 1 347.459 0.663 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000974324336 741314964 /nfs/dbraw/zinc/31/49/64/741314964.db2.gz PNDGSNYCGJGKSI-RBZJEDDUSA-N 1 1 335.448 0.683 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC000982141904 751637366 /nfs/dbraw/zinc/63/73/66/751637366.db2.gz XRYAMAWRBHSHRI-UHFFFAOYSA-N 1 1 340.811 0.215 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC000982141904 751637373 /nfs/dbraw/zinc/63/73/73/751637373.db2.gz XRYAMAWRBHSHRI-UHFFFAOYSA-N 1 1 340.811 0.215 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C)c3)C2)nn1 ZINC001105209619 741472485 /nfs/dbraw/zinc/47/24/85/741472485.db2.gz LBKMBALBQYNSCX-UHFFFAOYSA-N 1 1 344.419 0.606 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C3CCC(O)CC3)C2)nn1 ZINC001105224030 741502119 /nfs/dbraw/zinc/50/21/19/741502119.db2.gz UGJIBOWPNUKYBA-UHFFFAOYSA-N 1 1 333.436 0.878 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]C[C@H](C)OC)nn2)C1 ZINC001105227414 741508335 /nfs/dbraw/zinc/50/83/35/741508335.db2.gz IWEVEASSWKAACF-LRDDRELGSA-N 1 1 337.424 0.113 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cccc(C)c3=O)C2)nn1 ZINC001105240156 741530350 /nfs/dbraw/zinc/53/03/50/741530350.db2.gz AKILDBYTUGRFSA-UHFFFAOYSA-N 1 1 342.403 0.107 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1 ZINC001026570822 741564373 /nfs/dbraw/zinc/56/43/73/741564373.db2.gz RKOIJFAOPWEWSX-BMFZPTHFSA-N 1 1 333.432 0.084 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1 ZINC001026570822 741564376 /nfs/dbraw/zinc/56/43/76/741564376.db2.gz RKOIJFAOPWEWSX-BMFZPTHFSA-N 1 1 333.432 0.084 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nnn3CC)C2)nn1 ZINC001105256472 741570549 /nfs/dbraw/zinc/57/05/49/741570549.db2.gz FWJYKOWHCLRKRK-UHFFFAOYSA-N 1 1 330.396 0.171 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cnccc3C)C2)nn1 ZINC001105262095 741588167 /nfs/dbraw/zinc/58/81/67/741588167.db2.gz GMJULEALPGHPEG-UHFFFAOYSA-N 1 1 326.404 0.883 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105262319 741591288 /nfs/dbraw/zinc/59/12/88/741591288.db2.gz VTXJIEQPBWIEBY-UHFFFAOYSA-N 1 1 330.392 0.045 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCC(NC(=O)CN3CCCC3)CC2)C1=O ZINC001026606538 741607127 /nfs/dbraw/zinc/60/71/27/741607127.db2.gz HRNDECSIJASBCG-OFLPRAFFSA-N 1 1 348.491 0.886 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)C(C)(C)[N@H+](C)CC)C2)nn1 ZINC001105273081 741618503 /nfs/dbraw/zinc/61/85/03/741618503.db2.gz YNCWJNZJIFZQGY-UHFFFAOYSA-N 1 1 332.452 0.505 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H](CNc2ccnc(C#N)n2)C(C)(C)C)C1 ZINC001125934961 741637947 /nfs/dbraw/zinc/63/79/47/741637947.db2.gz ZOMSVWMAPNHQKW-QWHCGFSZSA-N 1 1 330.436 0.665 20 30 ECEDMO CC(C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1C)Nc1ccnc(C#N)n1 ZINC001105288419 741648918 /nfs/dbraw/zinc/64/89/18/741648918.db2.gz MHQKQJAGEGOTMV-KGLIPLIRSA-N 1 1 330.436 0.807 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OC)ccn3)C2)nn1 ZINC001105294920 741666529 /nfs/dbraw/zinc/66/65/29/741666529.db2.gz NMAJFQTYBSZDQU-UHFFFAOYSA-N 1 1 328.376 0.654 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccccn3)C2)nn1 ZINC001105297295 741674640 /nfs/dbraw/zinc/67/46/40/741674640.db2.gz KYJZFNQPMAKPPI-UHFFFAOYSA-N 1 1 326.404 0.965 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974470833 741776033 /nfs/dbraw/zinc/77/60/33/741776033.db2.gz CSRDTRMSJBANJP-ABAIWWIYSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974470833 741776039 /nfs/dbraw/zinc/77/60/39/741776039.db2.gz CSRDTRMSJBANJP-ABAIWWIYSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974470837 741776118 /nfs/dbraw/zinc/77/61/18/741776118.db2.gz CSRDTRMSJBANJP-NHYWBVRUSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974470837 741776121 /nfs/dbraw/zinc/77/61/21/741776121.db2.gz CSRDTRMSJBANJP-NHYWBVRUSA-N 1 1 343.431 0.994 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(n3cc(C[NH2+]CCOC)nn3)C2)c1 ZINC001105325053 741798871 /nfs/dbraw/zinc/79/88/71/741798871.db2.gz CQVWJUUKKHMLJG-UHFFFAOYSA-N 1 1 340.387 0.088 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(F)F)n[nH]3)C2)nn1 ZINC001105325368 741799988 /nfs/dbraw/zinc/79/99/88/741799988.db2.gz NPDUIGDHYQQZDD-UHFFFAOYSA-N 1 1 337.334 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ncccn2)C1 ZINC001006685519 751671175 /nfs/dbraw/zinc/67/11/75/751671175.db2.gz BJQXEXCSORGJDB-ZFWWWQNUSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ncccn2)C1 ZINC001006685519 751671179 /nfs/dbraw/zinc/67/11/79/751671179.db2.gz BJQXEXCSORGJDB-ZFWWWQNUSA-N 1 1 341.415 0.151 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cn(C)nn3)C(C)(C)C2)C1=O ZINC000974573327 741914269 /nfs/dbraw/zinc/91/42/69/741914269.db2.gz YICHZTQXZYOGIG-KGLIPLIRSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cn(C)nn3)C(C)(C)C2)C1=O ZINC000974573327 741914271 /nfs/dbraw/zinc/91/42/71/741914271.db2.gz YICHZTQXZYOGIG-KGLIPLIRSA-N 1 1 346.435 0.042 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc3ncc(C)cn3n2)C(C)(C)C1 ZINC000974720282 742106357 /nfs/dbraw/zinc/10/63/57/742106357.db2.gz WUYUSPQZZIWSDB-CYBMUJFWSA-N 1 1 326.404 0.896 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc3ncc(C)cn3n2)C(C)(C)C1 ZINC000974720282 742106358 /nfs/dbraw/zinc/10/63/58/742106358.db2.gz WUYUSPQZZIWSDB-CYBMUJFWSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1C ZINC001020494179 751698836 /nfs/dbraw/zinc/69/88/36/751698836.db2.gz ZHRVKAHFHIKEKB-CVWVJMLGSA-N 1 1 345.443 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1C ZINC001020494179 751698839 /nfs/dbraw/zinc/69/88/39/751698839.db2.gz ZHRVKAHFHIKEKB-CVWVJMLGSA-N 1 1 345.443 0.082 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C(C)(C)C1 ZINC000974876936 742281279 /nfs/dbraw/zinc/28/12/79/742281279.db2.gz JZDDPCZFUXLNCZ-LSDHHAIUSA-N 1 1 329.448 0.999 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C(C)(C)C1 ZINC000974880493 742288484 /nfs/dbraw/zinc/28/84/84/742288484.db2.gz PDUMIMLABXEKBL-CABCVRRESA-N 1 1 329.448 0.999 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C(C)(C)C1 ZINC000974888646 742307868 /nfs/dbraw/zinc/30/78/68/742307868.db2.gz XAQDVOJMGFPFLB-UKRRQHHQSA-N 1 1 330.432 0.997 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C(C)(C)C1 ZINC000974888646 742307879 /nfs/dbraw/zinc/30/78/79/742307879.db2.gz XAQDVOJMGFPFLB-UKRRQHHQSA-N 1 1 330.432 0.997 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)Cc3cnoc3)C(C)(C)C2)C1=O ZINC000974936126 742376445 /nfs/dbraw/zinc/37/64/45/742376445.db2.gz QWLSVRQDKMQYSU-CABCVRRESA-N 1 1 346.431 0.831 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)Cc3cnoc3)C(C)(C)C2)C1=O ZINC000974936126 742376453 /nfs/dbraw/zinc/37/64/53/742376453.db2.gz QWLSVRQDKMQYSU-CABCVRRESA-N 1 1 346.431 0.831 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC2(C)C)c1 ZINC000975011804 742446365 /nfs/dbraw/zinc/44/63/65/742446365.db2.gz NSHIWUXVRQPTSC-MRXNPFEDSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)CC2(C)C)c1 ZINC000975011804 742446368 /nfs/dbraw/zinc/44/63/68/742446368.db2.gz NSHIWUXVRQPTSC-MRXNPFEDSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2cocn2)C1 ZINC000975154866 742540121 /nfs/dbraw/zinc/54/01/21/742540121.db2.gz OONQARCSQBWRML-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2cocn2)C1 ZINC000975154866 742540125 /nfs/dbraw/zinc/54/01/25/742540125.db2.gz OONQARCSQBWRML-ZBFHGGJFSA-N 1 1 344.415 0.741 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000975186545 742599000 /nfs/dbraw/zinc/59/90/00/742599000.db2.gz NXHRIGJPMWFMCE-DZGCQCFKSA-N 1 1 343.431 0.806 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975312326 742724262 /nfs/dbraw/zinc/72/42/62/742724262.db2.gz IESGUJYSCPTDJD-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975312326 742724266 /nfs/dbraw/zinc/72/42/66/742724266.db2.gz IESGUJYSCPTDJD-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1 ZINC000982250012 751762399 /nfs/dbraw/zinc/76/23/99/751762399.db2.gz HFAWCPGDKFTNFX-UYHISHBKSA-N 1 1 343.431 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001028939988 742936992 /nfs/dbraw/zinc/93/69/92/742936992.db2.gz WCTVXNJLDRVLRV-AWEZNQCLSA-N 1 1 326.400 0.347 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1 ZINC000982255782 751776642 /nfs/dbraw/zinc/77/66/42/751776642.db2.gz JKLWPADMSZPCDV-OLMNPRSZSA-N 1 1 343.431 0.934 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)C1=O ZINC001111601319 742993801 /nfs/dbraw/zinc/99/38/01/742993801.db2.gz VPDZFOZNFGITTJ-ZENOOKHLSA-N 1 1 336.461 0.445 20 30 ECEDMO CC[NH+]=C(NC[C@@H]1CCN(CC)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261951073 743090585 /nfs/dbraw/zinc/09/05/85/743090585.db2.gz HKDWVQDRFSQMQZ-AWEZNQCLSA-N 1 1 344.525 0.803 20 30 ECEDMO N#Cc1cc(C(=O)NCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c[nH]1 ZINC001125994666 743121817 /nfs/dbraw/zinc/12/18/17/743121817.db2.gz IYWHZASSYYHNLY-GFCCVEGCSA-N 1 1 343.391 0.034 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C)OC2(CCN(C(C)=O)CC2)C1 ZINC001006771672 751797296 /nfs/dbraw/zinc/79/72/96/751797296.db2.gz KVKRLTAKWSWXLV-RDJZCZTQSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C)OC2(CCN(C(C)=O)CC2)C1 ZINC001006771672 751797304 /nfs/dbraw/zinc/79/73/04/751797304.db2.gz KVKRLTAKWSWXLV-RDJZCZTQSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](C[NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001027233330 743244213 /nfs/dbraw/zinc/24/42/13/743244213.db2.gz ABLPDZKNUDHWGP-SJORKVTESA-N 1 1 333.476 0.806 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)COC)nn2)C1 ZINC001105380982 743439248 /nfs/dbraw/zinc/43/92/48/743439248.db2.gz KSLJTCGCJXOEPQ-CHWSQXEVSA-N 1 1 337.424 0.377 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CCCC)NC(N)=O)C2)nn1 ZINC001105381325 743459106 /nfs/dbraw/zinc/45/91/06/743459106.db2.gz XKPSFSPCKIUACD-AWEZNQCLSA-N 1 1 349.439 0.164 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087471008 743493272 /nfs/dbraw/zinc/49/32/72/743493272.db2.gz HURRJCRUFNZWDB-IRXDYDNUSA-N 1 1 343.427 0.868 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)cc1 ZINC000997336578 743503466 /nfs/dbraw/zinc/50/34/66/743503466.db2.gz FQPCVHRODHMYCU-KRWDZBQOSA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)cc1 ZINC000997336578 743503469 /nfs/dbraw/zinc/50/34/69/743503469.db2.gz FQPCVHRODHMYCU-KRWDZBQOSA-N 1 1 341.411 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnns1 ZINC001075761697 743515981 /nfs/dbraw/zinc/51/59/81/743515981.db2.gz VKTZWXHDKBEIEP-RYUDHWBXSA-N 1 1 335.433 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnns1 ZINC001075761697 743515988 /nfs/dbraw/zinc/51/59/88/743515988.db2.gz VKTZWXHDKBEIEP-RYUDHWBXSA-N 1 1 335.433 0.260 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([NH2+][C@@H]3CCN(C)C3=O)CC2)CC1 ZINC000997362592 743534699 /nfs/dbraw/zinc/53/46/99/743534699.db2.gz ALDPENYCJXJULT-QGZVFWFLSA-N 1 1 346.475 0.143 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937409193 743607055 /nfs/dbraw/zinc/60/70/55/743607055.db2.gz BGBXYIDPRVDYED-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CCN(CC(N)=O)CC2)CC1 ZINC000997435701 743615398 /nfs/dbraw/zinc/61/53/98/743615398.db2.gz ZCODTKHWVVGEDL-CQSZACIVSA-N 1 1 334.464 0.034 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001114945917 743644585 /nfs/dbraw/zinc/64/45/85/743644585.db2.gz XTGADIGXZKJISN-MNZLEMJZSA-N 1 1 343.402 0.702 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001114945917 743644588 /nfs/dbraw/zinc/64/45/88/743644588.db2.gz XTGADIGXZKJISN-MNZLEMJZSA-N 1 1 343.402 0.702 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cccc(C)c3=O)C[C@@]2(C)C1 ZINC000982279770 751854850 /nfs/dbraw/zinc/85/48/50/751854850.db2.gz HRLJGZLHKGAIHO-KDURUIRLSA-N 1 1 327.428 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc[nH]c1 ZINC000997775656 743803966 /nfs/dbraw/zinc/80/39/66/743803966.db2.gz ZKLSVSPLLFJNQW-QZWWFDLISA-N 1 1 340.427 0.974 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc[nH]c1 ZINC000997775656 743803970 /nfs/dbraw/zinc/80/39/70/743803970.db2.gz ZKLSVSPLLFJNQW-QZWWFDLISA-N 1 1 340.427 0.974 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CCN([C@H](C)C(N)=O)CC2)CC1 ZINC000997875407 743863069 /nfs/dbraw/zinc/86/30/69/743863069.db2.gz ZTJUOFGXTCWNGY-LSDHHAIUSA-N 1 1 348.491 0.422 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000976361977 743877486 /nfs/dbraw/zinc/87/74/86/743877486.db2.gz LCHPCXPGBMLXAF-HVOFVXBASA-N 1 1 341.415 0.415 20 30 ECEDMO C[N@@H+](CCn1cncn1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027355323 743921705 /nfs/dbraw/zinc/92/17/05/743921705.db2.gz UCINOIBCMYXZOT-CQSZACIVSA-N 1 1 327.392 0.714 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000998053450 743950039 /nfs/dbraw/zinc/95/00/39/743950039.db2.gz RRLYORLXOPBPOX-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C3CS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982288029 751877591 /nfs/dbraw/zinc/87/75/91/751877591.db2.gz VASCXIXMQUXKNX-IYBDPMFKSA-N 1 1 326.462 0.778 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000998147113 744004802 /nfs/dbraw/zinc/00/48/02/744004802.db2.gz PDIDBQBMRQXSCE-RYUDHWBXSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC000998177024 744030774 /nfs/dbraw/zinc/03/07/74/744030774.db2.gz POIXWURUKBBTAY-ZDUSSCGKSA-N 1 1 342.403 0.367 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC000976538856 744044438 /nfs/dbraw/zinc/04/44/38/744044438.db2.gz ZIVHIUPIMQYWIW-RABLLNBGSA-N 1 1 327.388 0.025 20 30 ECEDMO C[C@H]([NH2+]C1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C ZINC000998603597 744250737 /nfs/dbraw/zinc/25/07/37/744250737.db2.gz JAKPZFKFZAPSTL-GCVQQVDUSA-N 1 1 328.380 0.364 20 30 ECEDMO CN(C)c1noc(C[NH2+]C2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998604821 744251014 /nfs/dbraw/zinc/25/10/14/744251014.db2.gz QTZFHRWANZVTQA-UHFFFAOYSA-N 1 1 343.391 0.728 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3nocc3C)C[C@H]21 ZINC000976734731 744259482 /nfs/dbraw/zinc/25/94/82/744259482.db2.gz HFPYLIVWXJKZDM-KNCOVGOOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3nocc3C)C[C@H]21 ZINC000976734731 744259484 /nfs/dbraw/zinc/25/94/84/744259484.db2.gz HFPYLIVWXJKZDM-KNCOVGOOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3CC)C[C@H]21 ZINC000976737817 744263765 /nfs/dbraw/zinc/26/37/65/744263765.db2.gz XDRLSYIJGUFJQV-FFRIZKCHSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3CC)C[C@H]21 ZINC000976737817 744263768 /nfs/dbraw/zinc/26/37/68/744263768.db2.gz XDRLSYIJGUFJQV-FFRIZKCHSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C)o3)C[C@H]21 ZINC000976738067 744264158 /nfs/dbraw/zinc/26/41/58/744264158.db2.gz BZXFUBYGZUPIQI-QSJFSLAZSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C)o3)C[C@H]21 ZINC000976738067 744264161 /nfs/dbraw/zinc/26/41/61/744264161.db2.gz BZXFUBYGZUPIQI-QSJFSLAZSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)[C@H]1C ZINC001020618749 751907218 /nfs/dbraw/zinc/90/72/18/751907218.db2.gz QWSHXYHQCQMPBC-JSRQGNBESA-N 1 1 347.459 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)[C@H]1C ZINC001020618749 751907219 /nfs/dbraw/zinc/90/72/19/751907219.db2.gz QWSHXYHQCQMPBC-JSRQGNBESA-N 1 1 347.459 0.757 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001027433567 744387931 /nfs/dbraw/zinc/38/79/31/744387931.db2.gz BGIKNWGCOFHPKE-CQSZACIVSA-N 1 1 329.466 0.521 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2nonc2C)C1 ZINC001027446444 744485658 /nfs/dbraw/zinc/48/56/58/744485658.db2.gz KTCHSMYXVDEFKW-RDJZCZTQSA-N 1 1 345.447 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2nonc2C)C1 ZINC001027446444 744485660 /nfs/dbraw/zinc/48/56/60/744485660.db2.gz KTCHSMYXVDEFKW-RDJZCZTQSA-N 1 1 345.447 0.898 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@@]2(C)C1 ZINC000982306658 751927962 /nfs/dbraw/zinc/92/79/62/751927962.db2.gz WGLSGKWCPJJOPZ-CWRNSKLLSA-N 1 1 326.462 0.613 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2noc(CC)n2)C1 ZINC000999394089 744673212 /nfs/dbraw/zinc/67/32/12/744673212.db2.gz BIAYXDBIJLHPIY-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2noc(CC)n2)C1 ZINC000999394089 744673215 /nfs/dbraw/zinc/67/32/15/744673215.db2.gz BIAYXDBIJLHPIY-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@H+](CC)CCO4)C[C@H]32)C1 ZINC000977150350 744703117 /nfs/dbraw/zinc/70/31/17/744703117.db2.gz ITLMHPAHFLSLRF-QXSJWSMHSA-N 1 1 347.459 0.636 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@@H+](CC)CCO4)C[C@H]32)C1 ZINC000977150350 744703119 /nfs/dbraw/zinc/70/31/19/744703119.db2.gz ITLMHPAHFLSLRF-QXSJWSMHSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@@H+]([C@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977275408 744829595 /nfs/dbraw/zinc/82/95/95/744829595.db2.gz VVQLBKZNXPNXOZ-YPMHNXCESA-N 1 1 334.424 0.039 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+]([C@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977275408 744829599 /nfs/dbraw/zinc/82/95/99/744829599.db2.gz VVQLBKZNXPNXOZ-YPMHNXCESA-N 1 1 334.424 0.039 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977275395 744829767 /nfs/dbraw/zinc/82/97/67/744829767.db2.gz VVQLBKZNXPNXOZ-AAEUAGOBSA-N 1 1 334.424 0.039 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977275395 744829770 /nfs/dbraw/zinc/82/97/70/744829770.db2.gz VVQLBKZNXPNXOZ-AAEUAGOBSA-N 1 1 334.424 0.039 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccncc1 ZINC000977282014 744840233 /nfs/dbraw/zinc/84/02/33/744840233.db2.gz VGFXLNILIYMAIC-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccncc1 ZINC000977282014 744840237 /nfs/dbraw/zinc/84/02/37/744840237.db2.gz VGFXLNILIYMAIC-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000977331454 744874045 /nfs/dbraw/zinc/87/40/45/744874045.db2.gz XGJKCQHKZTVBKD-QWHCGFSZSA-N 1 1 329.466 0.423 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3csnn3)C2)C1=O ZINC001027510153 744889898 /nfs/dbraw/zinc/88/98/98/744889898.db2.gz QJDCKHBRLNGRLC-JSGCOSHPSA-N 1 1 349.460 0.861 20 30 ECEDMO C=CC[N@H+]1C[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977388945 744910585 /nfs/dbraw/zinc/91/05/85/744910585.db2.gz OKSDCAXSCNIGRG-ZFWWWQNUSA-N 1 1 333.436 0.941 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977442693 744994193 /nfs/dbraw/zinc/99/41/93/744994193.db2.gz XEIFRSDBKBDRCG-HIFRSBDPSA-N 1 1 331.420 0.703 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977442693 744994196 /nfs/dbraw/zinc/99/41/96/744994196.db2.gz XEIFRSDBKBDRCG-HIFRSBDPSA-N 1 1 331.420 0.703 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000999890385 745015421 /nfs/dbraw/zinc/01/54/21/745015421.db2.gz ZGRALIKZPROTGV-BLLLJJGKSA-N 1 1 326.400 0.201 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 ZINC000999937638 745070254 /nfs/dbraw/zinc/07/02/54/745070254.db2.gz IPYPMFMTHBOTRT-AWEZNQCLSA-N 1 1 333.392 0.605 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc[n+]([O-])cc3)nn2)C1 ZINC000999938794 745071734 /nfs/dbraw/zinc/07/17/34/745071734.db2.gz NUCILUKJZFTNIG-OAHLLOKOSA-N 1 1 328.376 0.274 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnns3)nn2)C1 ZINC000999957332 745098479 /nfs/dbraw/zinc/09/84/79/745098479.db2.gz UZZDLQXEJLAYAV-GFCCVEGCSA-N 1 1 331.405 0.330 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999964184 745107465 /nfs/dbraw/zinc/10/74/65/745107465.db2.gz VWYMLYMIPGCHAU-CVEARBPZSA-N 1 1 330.436 0.259 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 ZINC000999964184 745107468 /nfs/dbraw/zinc/10/74/68/745107468.db2.gz VWYMLYMIPGCHAU-CVEARBPZSA-N 1 1 330.436 0.259 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1cc(C#N)c[nH]1 ZINC000977520655 745113703 /nfs/dbraw/zinc/11/37/03/745113703.db2.gz PXXJPQMGFCWNLT-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001059198212 745116274 /nfs/dbraw/zinc/11/62/74/745116274.db2.gz NXAQGCRFHMBQKU-CQSZACIVSA-N 1 1 349.460 0.803 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCCO3)nn2)C1 ZINC000999976839 745125611 /nfs/dbraw/zinc/12/56/11/745125611.db2.gz XBHQOBGCVTZPHG-JKSUJKDBSA-N 1 1 331.420 0.734 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 ZINC000999985187 745138554 /nfs/dbraw/zinc/13/85/54/745138554.db2.gz PFIGIKPXDDFSBY-CYBMUJFWSA-N 1 1 330.396 0.160 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC000977525070 745142119 /nfs/dbraw/zinc/14/21/19/745142119.db2.gz BYRARUXXYUAHFI-AWEZNQCLSA-N 1 1 340.387 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CC(OCC)C3)nn2)C1 ZINC000999987808 745142654 /nfs/dbraw/zinc/14/26/54/745142654.db2.gz YTDNQUOMAHHLLH-SIWZUTFBSA-N 1 1 331.420 0.589 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC(=O)N(C)C3)nn2)C1 ZINC000999988046 745143483 /nfs/dbraw/zinc/14/34/83/745143483.db2.gz SENZWRYNPMUDFF-UKRRQHHQSA-N 1 1 346.435 0.196 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C)nn3)nn2)C1 ZINC000999993478 745151834 /nfs/dbraw/zinc/15/18/34/745151834.db2.gz UYJIDRIFDFZGIA-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc4cc[nH]c4c3)nn2)C1 ZINC000999996862 745156910 /nfs/dbraw/zinc/15/69/10/745156910.db2.gz KGLXQEQKJYNXDP-OAHLLOKOSA-N 1 1 349.398 0.964 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCCO[C@H]3C)nn2)C1 ZINC000999998033 745158326 /nfs/dbraw/zinc/15/83/26/745158326.db2.gz QEUJCSJVGWXGJF-QEJZJMRPSA-N 1 1 335.408 0.131 20 30 ECEDMO C=C(Cl)CN1CCC[C@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001028261092 751976528 /nfs/dbraw/zinc/97/65/28/751976528.db2.gz TVMRKIQKNVQBMX-JTQLQIEISA-N 1 1 336.783 0.364 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3csnn3)nn2)C1 ZINC001000001445 745164348 /nfs/dbraw/zinc/16/43/48/745164348.db2.gz MUZRMUKUYVFPJX-LBPRGKRZSA-N 1 1 331.405 0.330 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]nc3CC)nn2)C1 ZINC001000004363 745170502 /nfs/dbraw/zinc/17/05/02/745170502.db2.gz SRTHNZUQABSYSC-CYBMUJFWSA-N 1 1 327.392 0.374 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3csc(=O)[nH]3)nn2)C1 ZINC001000013274 745182173 /nfs/dbraw/zinc/18/21/73/745182173.db2.gz HEKLHYMBIZOFOT-LLVKDONJSA-N 1 1 334.405 0.803 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001000014245 745183572 /nfs/dbraw/zinc/18/35/72/745183572.db2.gz RZPYWXDWNQCVCD-HIFRSBDPSA-N 1 1 348.403 0.268 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 ZINC001000015734 745185062 /nfs/dbraw/zinc/18/50/62/745185062.db2.gz PEKZWIJGIRPNNN-LBPRGKRZSA-N 1 1 333.371 0.893 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3csc(=O)[nH]3)nn2)C1 ZINC001000018248 745188157 /nfs/dbraw/zinc/18/81/57/745188157.db2.gz XPJSZUKCOQKJSN-GFCCVEGCSA-N 1 1 346.416 0.640 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001000023241 745194638 /nfs/dbraw/zinc/19/46/38/745194638.db2.gz XJDPNOUCFXKYQM-PMPSAXMXSA-N 1 1 335.448 0.777 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C(C)C)n[nH]3)nn2)C1 ZINC001000025422 745196573 /nfs/dbraw/zinc/19/65/73/745196573.db2.gz PMNSSJDXIQYEKE-AWEZNQCLSA-N 1 1 341.419 0.935 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCOC1)C2 ZINC001000027964 745200895 /nfs/dbraw/zinc/20/08/95/745200895.db2.gz RXSXWYIZQULEMP-NRKLIOEPSA-N 1 1 345.443 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCOC1)C2 ZINC001000027964 745200897 /nfs/dbraw/zinc/20/08/97/745200897.db2.gz RXSXWYIZQULEMP-NRKLIOEPSA-N 1 1 345.443 0.369 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001000034801 745209947 /nfs/dbraw/zinc/20/99/47/745209947.db2.gz JAWQCIWLHFBHHA-CQSZACIVSA-N 1 1 327.392 0.821 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000977590762 745220577 /nfs/dbraw/zinc/22/05/77/745220577.db2.gz UQLLOWFOXSQXDX-AWEZNQCLSA-N 1 1 343.493 0.120 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000977590762 745220581 /nfs/dbraw/zinc/22/05/81/745220581.db2.gz UQLLOWFOXSQXDX-AWEZNQCLSA-N 1 1 343.493 0.120 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[N@H+]3CC)nn2)C1 ZINC001000044555 745225584 /nfs/dbraw/zinc/22/55/84/745225584.db2.gz WOGOAZRFGSOLGZ-DLBZAZTESA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3CC)nn2)C1 ZINC001000044555 745225587 /nfs/dbraw/zinc/22/55/87/745225587.db2.gz WOGOAZRFGSOLGZ-DLBZAZTESA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001000046479 745227409 /nfs/dbraw/zinc/22/74/09/745227409.db2.gz UNDWAWNVZCYMIV-CQSZACIVSA-N 1 1 327.392 0.212 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC000977583386 745242260 /nfs/dbraw/zinc/24/22/60/745242260.db2.gz HINMNXRKCLGLRT-OAHLLOKOSA-N 1 1 340.387 0.764 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3csnn3)C2)nn1 ZINC001020700584 751990519 /nfs/dbraw/zinc/99/05/19/751990519.db2.gz VWOWQAYOTNDHFW-DCAQKATOSA-N 1 1 333.421 0.927 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001000242816 745380080 /nfs/dbraw/zinc/38/00/80/745380080.db2.gz UNMJTTMTQMXHAI-BMFZPTHFSA-N 1 1 333.436 0.970 20 30 ECEDMO CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 ZINC001105387411 745429990 /nfs/dbraw/zinc/42/99/90/745429990.db2.gz VEAPGHHFGHWXMU-MRXNPFEDSA-N 1 1 332.448 0.771 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2(C3CCN(CC(N)=O)CC3)CC2)CC1 ZINC001000334631 745435354 /nfs/dbraw/zinc/43/53/54/745435354.db2.gz INNKBMQONJATLF-UHFFFAOYSA-N 1 1 346.475 0.178 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)[nH]1 ZINC001083413403 745484118 /nfs/dbraw/zinc/48/41/18/745484118.db2.gz MAMXPKYHUFWLDZ-KGLIPLIRSA-N 1 1 331.401 0.360 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)[nH]1 ZINC001083413403 745484121 /nfs/dbraw/zinc/48/41/21/745484121.db2.gz MAMXPKYHUFWLDZ-KGLIPLIRSA-N 1 1 331.401 0.360 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3cnsn3)CC2)C1=O ZINC001000475429 745530312 /nfs/dbraw/zinc/53/03/12/745530312.db2.gz IUQLTUZUAOEWKE-CQSZACIVSA-N 1 1 347.444 0.687 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccoc4)[C@@H]3C2)C1=O ZINC000977820126 745539337 /nfs/dbraw/zinc/53/93/37/745539337.db2.gz MCECWMVVNIWJJG-JONQDZQNSA-N 1 1 329.400 0.974 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnsn3)[C@H]2CC)C1=O ZINC001087511449 745542215 /nfs/dbraw/zinc/54/22/15/745542215.db2.gz QBUKGYUIRVWOBZ-YUTCNCBUSA-N 1 1 349.460 0.908 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnsn3)[C@H]2CC)C1=O ZINC001087511449 745542216 /nfs/dbraw/zinc/54/22/16/745542216.db2.gz QBUKGYUIRVWOBZ-YUTCNCBUSA-N 1 1 349.460 0.908 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3cnc(C)[nH]3)CC2)C1=O ZINC001000531114 745569549 /nfs/dbraw/zinc/56/95/49/745569549.db2.gz YZXMOKUEWLEVLA-MRXNPFEDSA-N 1 1 343.431 0.867 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCCN(C)C2=O)nc1 ZINC001028269021 752015563 /nfs/dbraw/zinc/01/55/63/752015563.db2.gz DHRHLOJQYCLAAH-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@H+]([C@H]3CCCNC3=O)CC2)[nH]1 ZINC001000594181 745623092 /nfs/dbraw/zinc/62/30/92/745623092.db2.gz MAUALHPJYLTGBF-HNNXBMFYSA-N 1 1 327.388 0.527 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCNC2=O)cn1 ZINC001028270008 752022048 /nfs/dbraw/zinc/02/20/48/752022048.db2.gz CXZOJUUDBURGIO-MRXNPFEDSA-N 1 1 341.415 0.282 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001006977258 752022174 /nfs/dbraw/zinc/02/21/74/752022174.db2.gz XEMRHNXLVXXFAX-CABCVRRESA-N 1 1 332.404 0.585 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001006977258 752022177 /nfs/dbraw/zinc/02/21/77/752022177.db2.gz XEMRHNXLVXXFAX-CABCVRRESA-N 1 1 332.404 0.585 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(=O)OC)C2)nn1 ZINC001098626718 745636507 /nfs/dbraw/zinc/63/65/07/745636507.db2.gz ZTACJLYIKYBMLV-CYBMUJFWSA-N 1 1 336.396 0.073 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1nonc1C ZINC000977920426 745649211 /nfs/dbraw/zinc/64/92/11/745649211.db2.gz OXXWGMIVMZWGBC-KGLIPLIRSA-N 1 1 345.403 0.149 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1nonc1C ZINC000977920426 745649214 /nfs/dbraw/zinc/64/92/14/745649214.db2.gz OXXWGMIVMZWGBC-KGLIPLIRSA-N 1 1 345.403 0.149 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1conc1C ZINC000977921835 745651413 /nfs/dbraw/zinc/65/14/13/745651413.db2.gz VAVLAMNWUDWUAD-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1conc1C ZINC000977921835 745651417 /nfs/dbraw/zinc/65/14/17/745651417.db2.gz VAVLAMNWUDWUAD-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C(C)(F)F ZINC000977924285 745677542 /nfs/dbraw/zinc/67/75/42/745677542.db2.gz FMNBZMRWQZIBRU-STQMWFEESA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C(C)(F)F ZINC000977924285 745677546 /nfs/dbraw/zinc/67/75/46/745677546.db2.gz FMNBZMRWQZIBRU-STQMWFEESA-N 1 1 327.375 0.799 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cocn4)[C@@H]3C2)C1=O ZINC000977932689 745689986 /nfs/dbraw/zinc/68/99/86/745689986.db2.gz KURGFDZNYFSWIT-XPCVCDNBSA-N 1 1 330.388 0.369 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+]1[C@H](CC)C(N)=O ZINC001028270829 752026938 /nfs/dbraw/zinc/02/69/38/752026938.db2.gz UFGGYOVVYVEKNN-DZGCQCFKSA-N 1 1 344.415 0.552 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@H](CC)C(N)=O ZINC001028270829 752026947 /nfs/dbraw/zinc/02/69/47/752026947.db2.gz UFGGYOVVYVEKNN-DZGCQCFKSA-N 1 1 344.415 0.552 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnns1 ZINC001029342176 745758432 /nfs/dbraw/zinc/75/84/32/745758432.db2.gz ADJCGVFHRNTZRM-LZWOXQAQSA-N 1 1 345.472 0.811 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnns1 ZINC001029342176 745758438 /nfs/dbraw/zinc/75/84/38/745758438.db2.gz ADJCGVFHRNTZRM-LZWOXQAQSA-N 1 1 345.472 0.811 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC ZINC001028270750 752031028 /nfs/dbraw/zinc/03/10/28/752031028.db2.gz RQUMOAGKKDSVPD-KGLIPLIRSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC ZINC001028270750 752031033 /nfs/dbraw/zinc/03/10/33/752031033.db2.gz RQUMOAGKKDSVPD-KGLIPLIRSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CNC(=O)NC)CC1 ZINC001105393679 745817568 /nfs/dbraw/zinc/81/75/68/745817568.db2.gz FQXPAIGBKFHSIG-INIZCTEOSA-N 1 1 332.448 0.642 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)n1 ZINC001059308824 745822614 /nfs/dbraw/zinc/82/26/14/745822614.db2.gz VIUYJUCKCDBQSA-AJNGGQMLSA-N 1 1 340.431 0.704 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001000847212 745822796 /nfs/dbraw/zinc/82/27/96/745822796.db2.gz QAYSRKOALYNVBA-UHFFFAOYSA-N 1 1 337.401 0.312 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)c[nH]1 ZINC000978030246 745831012 /nfs/dbraw/zinc/83/10/12/745831012.db2.gz UHGNKIRTDCCVNT-QKDCVEJESA-N 1 1 327.388 0.026 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)NC2CC2)nc1 ZINC001028271699 752038304 /nfs/dbraw/zinc/03/83/04/752038304.db2.gz MHQGVNHTTCTTHK-XJKSGUPXSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC2CC2)nc1 ZINC001028271699 752038305 /nfs/dbraw/zinc/03/83/05/752038305.db2.gz MHQGVNHTTCTTHK-XJKSGUPXSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC001001001564 745966116 /nfs/dbraw/zinc/96/61/16/745966116.db2.gz LIAYMTHEANZZHL-CQSZACIVSA-N 1 1 327.375 0.334 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)n1cncn1 ZINC001083416589 745967091 /nfs/dbraw/zinc/96/70/91/745967091.db2.gz NZMUASIAYALNOF-MAZHCROVSA-N 1 1 340.387 0.072 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)n1cncn1 ZINC001083416589 745967093 /nfs/dbraw/zinc/96/70/93/745967093.db2.gz NZMUASIAYALNOF-MAZHCROVSA-N 1 1 340.387 0.072 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC000978132220 745973853 /nfs/dbraw/zinc/97/38/53/745973853.db2.gz QDQCTKQPQAVTQH-QCEMKRCNSA-N 1 1 343.431 0.633 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000984179027 745995446 /nfs/dbraw/zinc/99/54/46/745995446.db2.gz YBEGZXZHYJNLMB-CVEARBPZSA-N 1 1 333.432 0.180 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000984179027 745995448 /nfs/dbraw/zinc/99/54/48/745995448.db2.gz YBEGZXZHYJNLMB-CVEARBPZSA-N 1 1 333.432 0.180 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000984179030 745995589 /nfs/dbraw/zinc/99/55/89/745995589.db2.gz YBEGZXZHYJNLMB-JKSUJKDBSA-N 1 1 333.432 0.180 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000984179030 745995590 /nfs/dbraw/zinc/99/55/90/745995590.db2.gz YBEGZXZHYJNLMB-JKSUJKDBSA-N 1 1 333.432 0.180 20 30 ECEDMO O=C(NCC1=CC[N@H+](CC#Cc2ccccc2)CC1)[C@H]1CCNC1=O ZINC001001042209 746005946 /nfs/dbraw/zinc/00/59/46/746005946.db2.gz ZRZCCHCNDMBLFR-SFHVURJKSA-N 1 1 337.423 0.923 20 30 ECEDMO O=C(NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1)[C@H]1CCNC1=O ZINC001001042209 746005951 /nfs/dbraw/zinc/00/59/51/746005951.db2.gz ZRZCCHCNDMBLFR-SFHVURJKSA-N 1 1 337.423 0.923 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@H]4CCOC4)nc3C)[C@@H]2C1 ZINC000978172286 746007120 /nfs/dbraw/zinc/00/71/20/746007120.db2.gz ZYZWGWPLFYMSQS-NXNVCVFFSA-N 1 1 328.416 0.694 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001059337574 746007300 /nfs/dbraw/zinc/00/73/00/746007300.db2.gz LCBRVLSPIKQYIP-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001059338103 746013907 /nfs/dbraw/zinc/01/39/07/746013907.db2.gz XYPSMOXQBWJCOA-HNNXBMFYSA-N 1 1 334.420 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001059344304 746055915 /nfs/dbraw/zinc/05/59/15/746055915.db2.gz RVHFVLPLGRDBGE-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001059344304 746055920 /nfs/dbraw/zinc/05/59/20/746055920.db2.gz RVHFVLPLGRDBGE-HOCLYGCPSA-N 1 1 344.415 0.741 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087572800 746074814 /nfs/dbraw/zinc/07/48/14/746074814.db2.gz HAQGMOBZKNSHPM-UONOGXRCSA-N 1 1 345.432 0.776 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3nccn3)[C@H]2CC)C1=O ZINC001087587661 746100914 /nfs/dbraw/zinc/10/09/14/746100914.db2.gz BJNURZFUMDLJDI-ZNMIVQPWSA-N 1 1 346.435 0.034 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(C(CC)CC)C3)[C@@H]2C1 ZINC000978279511 746141234 /nfs/dbraw/zinc/14/12/34/746141234.db2.gz ZMKKXKLQRVEHKA-QSPRXWTASA-N 1 1 331.460 0.951 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]21 ZINC000978280692 746143128 /nfs/dbraw/zinc/14/31/28/746143128.db2.gz ZJUKYHRVOVRHGQ-APIJFGDWSA-N 1 1 330.432 0.846 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC000978283978 746147329 /nfs/dbraw/zinc/14/73/29/746147329.db2.gz RTOUWWXSIVBSOI-OKYOBFRVSA-N 1 1 345.487 0.805 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1CC ZINC001087668760 746165336 /nfs/dbraw/zinc/16/53/36/746165336.db2.gz ITZRDCFHKZCEBB-SOUVJXGZSA-N 1 1 331.420 0.911 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1CC ZINC001087671049 746166617 /nfs/dbraw/zinc/16/66/17/746166617.db2.gz POCSKVINZYDDIU-GOEBONIOSA-N 1 1 339.403 0.663 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CSCC#N)C1 ZINC001059350609 746167008 /nfs/dbraw/zinc/16/70/08/746167008.db2.gz WTIJFJJIZMIOLX-KGLIPLIRSA-N 1 1 338.477 0.692 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)[C@H](CC)C(N)=O)C2)nn1 ZINC001027607587 746171213 /nfs/dbraw/zinc/17/12/13/746171213.db2.gz ZRTDSAPGCRGZGE-GXTWGEPZSA-N 1 1 334.424 0.264 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cn(C)nc2C)C1 ZINC001001230683 746190236 /nfs/dbraw/zinc/19/02/36/746190236.db2.gz RKCOZKPDALWDFQ-INIZCTEOSA-N 1 1 343.431 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cn(C)nc2C)C1 ZINC001001230683 746190238 /nfs/dbraw/zinc/19/02/38/746190238.db2.gz RKCOZKPDALWDFQ-INIZCTEOSA-N 1 1 343.431 0.014 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@@H](CC)C(N)=O)CC1 ZINC001001255652 746214017 /nfs/dbraw/zinc/21/40/17/746214017.db2.gz CSLCIRBNHIRVGK-JYJNAYRXSA-N 1 1 335.448 0.980 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2cn3nc(C)cc3[nH]c2=O)CC1 ZINC001001266896 746227377 /nfs/dbraw/zinc/22/73/77/746227377.db2.gz OJCJGNMAKOWVGJ-UHFFFAOYSA-N 1 1 327.388 0.879 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000978364460 746246438 /nfs/dbraw/zinc/24/64/38/746246438.db2.gz ZMZFVSMFCQCASV-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc(OC)cc(OC)n3)[C@@H]2C1 ZINC000978374457 746261117 /nfs/dbraw/zinc/26/11/17/746261117.db2.gz YSTIHQVMKBVGJJ-XYYAHUGASA-N 1 1 330.388 0.425 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001346899 746295078 /nfs/dbraw/zinc/29/50/78/746295078.db2.gz HULXLJCAIYPPLD-OAHLLOKOSA-N 1 1 329.404 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@H](CC)C(N)=O)CC2)nc1 ZINC001001383294 746329807 /nfs/dbraw/zinc/32/98/07/746329807.db2.gz HZQPRSDSKCIEIQ-MRXNPFEDSA-N 1 1 326.400 0.689 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@H]1CC ZINC001087815648 746395687 /nfs/dbraw/zinc/39/56/87/746395687.db2.gz VYCGCGYTHYKYLI-RRFJBIMHSA-N 1 1 343.855 0.955 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@H]1CC ZINC001087815648 746395690 /nfs/dbraw/zinc/39/56/90/746395690.db2.gz VYCGCGYTHYKYLI-RRFJBIMHSA-N 1 1 343.855 0.955 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2cnn(C)n2)CC1 ZINC001001490553 746428680 /nfs/dbraw/zinc/42/86/80/746428680.db2.gz ACYBEUPPZGXZDR-KRWDZBQOSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2cnn(C)n2)CC1 ZINC001001490553 746428683 /nfs/dbraw/zinc/42/86/83/746428683.db2.gz ACYBEUPPZGXZDR-KRWDZBQOSA-N 1 1 344.463 0.241 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001027640696 746465301 /nfs/dbraw/zinc/46/53/01/746465301.db2.gz CRLLQKRWABCARK-HNNXBMFYSA-N 1 1 347.463 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cccn2C)C1 ZINC000978607858 746483573 /nfs/dbraw/zinc/48/35/73/746483573.db2.gz ITGAWFIFLQQVMS-UXLLHSPISA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cccn2C)C1 ZINC000978607858 746483577 /nfs/dbraw/zinc/48/35/77/746483577.db2.gz ITGAWFIFLQQVMS-UXLLHSPISA-N 1 1 342.443 0.747 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)n1 ZINC000978631093 746504002 /nfs/dbraw/zinc/50/40/02/746504002.db2.gz KKQCKNOWIWLRMO-PHZGNYQRSA-N 1 1 336.399 0.169 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(=O)cn4)[C@@H]3C2)cc1 ZINC000978637763 746529566 /nfs/dbraw/zinc/52/95/66/746529566.db2.gz CNSMTIYHBNPLIZ-PHZGNYQRSA-N 1 1 349.394 0.749 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001027648926 746540706 /nfs/dbraw/zinc/54/07/06/746540706.db2.gz YUBBBVZDBGEQIQ-GFCCVEGCSA-N 1 1 342.827 0.556 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001027648926 746540709 /nfs/dbraw/zinc/54/07/09/746540709.db2.gz YUBBBVZDBGEQIQ-GFCCVEGCSA-N 1 1 342.827 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001001629041 746552559 /nfs/dbraw/zinc/55/25/59/746552559.db2.gz UFEAYFPAWURWMO-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001001629041 746552562 /nfs/dbraw/zinc/55/25/62/746552562.db2.gz UFEAYFPAWURWMO-SJORKVTESA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000978665269 746554526 /nfs/dbraw/zinc/55/45/26/746554526.db2.gz CILFCZBUWDDTGJ-GUTXKFCHSA-N 1 1 346.435 0.183 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000978667231 746557929 /nfs/dbraw/zinc/55/79/29/746557929.db2.gz LHMOKTYPPJJKPG-XKQJLSEDSA-N 1 1 340.427 0.782 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978693909 746589441 /nfs/dbraw/zinc/58/94/41/746589441.db2.gz ADRBMLPRYSJCTC-BJJXKVORSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)[C@@H]2C1 ZINC001075827111 746726154 /nfs/dbraw/zinc/72/61/54/746726154.db2.gz GTOHNLKETYOZLK-YESZJQIVSA-N 1 1 329.444 0.801 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nocc4C)C[C@H]32)nn1 ZINC000978812179 746733678 /nfs/dbraw/zinc/73/36/78/746733678.db2.gz FBBQWKCIRADEOF-ZSOGYDGISA-N 1 1 342.403 0.868 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nocc4C)C[C@H]32)nn1 ZINC000978812179 746733685 /nfs/dbraw/zinc/73/36/85/746733685.db2.gz FBBQWKCIRADEOF-ZSOGYDGISA-N 1 1 342.403 0.868 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]32)nn1 ZINC000978817109 746743179 /nfs/dbraw/zinc/74/31/79/746743179.db2.gz MUGWKRHMAPENQR-FPCVCCKLSA-N 1 1 345.447 0.941 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978897872 746852222 /nfs/dbraw/zinc/85/22/22/746852222.db2.gz HRJGETOAPTWDGX-FPCVCCKLSA-N 1 1 345.447 0.798 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001059423795 746871248 /nfs/dbraw/zinc/87/12/48/746871248.db2.gz RVDHZJQHVLRMHR-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@@H]2C1 ZINC001087985472 746879688 /nfs/dbraw/zinc/87/96/88/746879688.db2.gz QWTMSPVBZJGTIO-ZACQAIPSSA-N 1 1 347.459 0.285 20 30 ECEDMO CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCO1)N1CC[C@H](N2CC=CC2)C1 ZINC000262293297 746927398 /nfs/dbraw/zinc/92/73/98/746927398.db2.gz LSCFOXZKIFBVGR-HOTGVXAUSA-N 1 1 349.479 0.145 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc(C4CC4)nn3)C[C@@H]2C1 ZINC001087992413 746951802 /nfs/dbraw/zinc/95/18/02/746951802.db2.gz USLWVBVMWROMHN-CVEARBPZSA-N 1 1 327.432 0.959 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007156627 752138389 /nfs/dbraw/zinc/13/83/89/752138389.db2.gz OLLIGNMUCMCKSX-GDBMZVCRSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007156627 752138391 /nfs/dbraw/zinc/13/83/91/752138391.db2.gz OLLIGNMUCMCKSX-GDBMZVCRSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007156632 752138426 /nfs/dbraw/zinc/13/84/26/752138426.db2.gz OLLIGNMUCMCKSX-GOEBONIOSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001007156632 752138430 /nfs/dbraw/zinc/13/84/30/752138430.db2.gz OLLIGNMUCMCKSX-GOEBONIOSA-N 1 1 341.415 0.867 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001059446546 746983804 /nfs/dbraw/zinc/98/38/04/746983804.db2.gz ZDIAITZQHCZIGO-QBPKDAKJSA-N 1 1 341.415 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)cn1 ZINC000979003353 747029256 /nfs/dbraw/zinc/02/92/56/747029256.db2.gz KQIVDQXIQUKHOQ-OSYLJGHBSA-N 1 1 336.399 0.262 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001002151031 747030376 /nfs/dbraw/zinc/03/03/76/747030376.db2.gz XGWFPSVJIKDMJJ-ULQDDVLXSA-N 1 1 349.475 0.884 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC000979019830 747068120 /nfs/dbraw/zinc/06/81/20/747068120.db2.gz ZRGBYHHXESJPEU-XQLPTFJDSA-N 1 1 341.839 0.280 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C(F)(F)F)cnn3C)[C@@H]2C1 ZINC000979037553 747088039 /nfs/dbraw/zinc/08/80/39/747088039.db2.gz WINXLCZAQUUMKU-RTCCRHLQSA-N 1 1 326.322 0.980 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]3)C2)nn1 ZINC001098715605 747144058 /nfs/dbraw/zinc/14/40/58/747144058.db2.gz IEPOIXKHGRNWCM-LBPRGKRZSA-N 1 1 331.380 0.080 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001002290334 747175955 /nfs/dbraw/zinc/17/59/55/747175955.db2.gz KDHZISNRUCWGRQ-CRAIPNDOSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001002290334 747175961 /nfs/dbraw/zinc/17/59/61/747175961.db2.gz KDHZISNRUCWGRQ-CRAIPNDOSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)nn1 ZINC001029507965 747202286 /nfs/dbraw/zinc/20/22/86/747202286.db2.gz JZSVZWQCULLYNK-GUTXKFCHSA-N 1 1 344.419 0.032 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)nn1 ZINC001029507965 747202290 /nfs/dbraw/zinc/20/22/90/747202290.db2.gz JZSVZWQCULLYNK-GUTXKFCHSA-N 1 1 344.419 0.032 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)C2=COCCO2)C1=O ZINC001027739413 747311499 /nfs/dbraw/zinc/31/14/99/747311499.db2.gz PITUTMYSZVNLNJ-KGLIPLIRSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)C2=COCCO2)C1=O ZINC001027739413 747311504 /nfs/dbraw/zinc/31/15/04/747311504.db2.gz PITUTMYSZVNLNJ-KGLIPLIRSA-N 1 1 335.404 0.242 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001002409427 747312473 /nfs/dbraw/zinc/31/24/73/747312473.db2.gz OMGCOCIXFFDWJJ-HZPDHXFCSA-N 1 1 347.459 0.781 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@H]2C1 ZINC001088104279 747389635 /nfs/dbraw/zinc/38/96/35/747389635.db2.gz BNUJFNZWKPANRW-LTIDMASMSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@H]2C1 ZINC001088104412 747390325 /nfs/dbraw/zinc/39/03/25/747390325.db2.gz IDOMMBTVSOGIHW-LTIDMASMSA-N 1 1 349.475 0.979 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001002473684 747402209 /nfs/dbraw/zinc/40/22/09/747402209.db2.gz DUXNKJIMZKRCFW-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ncc(C#N)cc2F)C1 ZINC001105410104 747439259 /nfs/dbraw/zinc/43/92/59/747439259.db2.gz QSAMONIFDDIGJQ-OAHLLOKOSA-N 1 1 349.410 0.708 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ncc(C#N)cc2F)C1 ZINC001105410104 747439265 /nfs/dbraw/zinc/43/92/65/747439265.db2.gz QSAMONIFDDIGJQ-OAHLLOKOSA-N 1 1 349.410 0.708 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC001002518086 747460079 /nfs/dbraw/zinc/46/00/79/747460079.db2.gz RYAARIUJZQPLPF-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC001002518084 747460247 /nfs/dbraw/zinc/46/02/47/747460247.db2.gz RYAARIUJZQPLPF-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCN(C)C2=O)nc1 ZINC001029558732 747504165 /nfs/dbraw/zinc/50/41/65/747504165.db2.gz RZAHMUAPVIDKAF-UXLLHSPISA-N 1 1 338.411 0.582 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059499246 747536585 /nfs/dbraw/zinc/53/65/85/747536585.db2.gz KNGHKKQRVGDHRF-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059499246 747536591 /nfs/dbraw/zinc/53/65/91/747536591.db2.gz KNGHKKQRVGDHRF-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088163426 747559166 /nfs/dbraw/zinc/55/91/66/747559166.db2.gz OLJKHJSVLNNBAN-XHSDSOJGSA-N 1 1 338.473 0.615 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088163426 747559174 /nfs/dbraw/zinc/55/91/74/747559174.db2.gz OLJKHJSVLNNBAN-XHSDSOJGSA-N 1 1 338.473 0.615 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCOC3)CC2)C1=O ZINC000985315739 747684913 /nfs/dbraw/zinc/68/49/13/747684913.db2.gz CYWVFSUMUXVICI-HOCLYGCPSA-N 1 1 335.448 0.733 20 30 ECEDMO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)c1 ZINC001002721099 747698046 /nfs/dbraw/zinc/69/80/46/747698046.db2.gz FRCFZNJINTVBNQ-HNNXBMFYSA-N 1 1 346.362 0.886 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)nn1 ZINC001098723010 747705026 /nfs/dbraw/zinc/70/50/26/747705026.db2.gz SZQOHXVSDQEWLJ-YOEHRIQHSA-N 1 1 346.435 0.386 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC001088194777 747709382 /nfs/dbraw/zinc/70/93/82/747709382.db2.gz WIKVEGBNONRVBT-KGLIPLIRSA-N 1 1 343.431 0.936 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@@H]2C1 ZINC001088199664 747725622 /nfs/dbraw/zinc/72/56/22/747725622.db2.gz YMAKIZRFEQHEPJ-CABCVRRESA-N 1 1 338.415 0.470 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 ZINC001088230223 747782380 /nfs/dbraw/zinc/78/23/80/747782380.db2.gz KQXWRHMLCRLDSH-OAHLLOKOSA-N 1 1 347.415 0.555 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 ZINC001088232024 747785622 /nfs/dbraw/zinc/78/56/22/747785622.db2.gz FZRMPXCIVFZVRA-SJORKVTESA-N 1 1 348.443 0.902 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](OCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001088233158 747789540 /nfs/dbraw/zinc/78/95/40/747789540.db2.gz JHFJVADWPCOVIY-YOEHRIQHSA-N 1 1 347.459 0.603 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)C1 ZINC001002791717 747793075 /nfs/dbraw/zinc/79/30/75/747793075.db2.gz SAQOAGOVPYVVLU-SRMUXQRQSA-N 1 1 341.415 0.700 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1 ZINC001088235171 747814498 /nfs/dbraw/zinc/81/44/98/747814498.db2.gz LVGNJARDUURLOJ-HNNXBMFYSA-N 1 1 346.431 0.702 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001088237280 747837342 /nfs/dbraw/zinc/83/73/42/747837342.db2.gz OUDCFJBPZFVISY-WNRNVDISSA-N 1 1 332.444 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2oc(C)nc2C)C1 ZINC001002830164 747846687 /nfs/dbraw/zinc/84/66/87/747846687.db2.gz QQXPTKIBVXHMLH-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2oc(C)nc2C)C1 ZINC001002830164 747846698 /nfs/dbraw/zinc/84/66/98/747846698.db2.gz QQXPTKIBVXHMLH-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2onc(C)c2C)C1 ZINC001002837173 747860436 /nfs/dbraw/zinc/86/04/36/747860436.db2.gz YUBXBOVINBPGSR-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2onc(C)c2C)C1 ZINC001002837173 747860444 /nfs/dbraw/zinc/86/04/44/747860444.db2.gz YUBXBOVINBPGSR-HNNXBMFYSA-N 1 1 344.415 0.577 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000985390882 747882234 /nfs/dbraw/zinc/88/22/34/747882234.db2.gz KQZTTXFHLFRKHQ-OAHLLOKOSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cn3cccn3)C2)C1=O ZINC001029648174 747977971 /nfs/dbraw/zinc/97/79/71/747977971.db2.gz HOGKCERLONSRHH-HOTGVXAUSA-N 1 1 345.447 0.450 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC000979559218 748027540 /nfs/dbraw/zinc/02/75/40/748027540.db2.gz CWKCJZWCGBDFBJ-QAETUUGQSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC000979559218 748027548 /nfs/dbraw/zinc/02/75/48/748027548.db2.gz CWKCJZWCGBDFBJ-QAETUUGQSA-N 1 1 347.459 0.522 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3c[nH]c(C)n3)C2)C1=O ZINC001029674647 748033185 /nfs/dbraw/zinc/03/31/85/748033185.db2.gz HXSUKBNWSAFRPV-HOCLYGCPSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001029674647 748033193 /nfs/dbraw/zinc/03/31/93/748033193.db2.gz HXSUKBNWSAFRPV-HOCLYGCPSA-N 1 1 345.447 0.899 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001029674647 748033202 /nfs/dbraw/zinc/03/32/02/748033202.db2.gz HXSUKBNWSAFRPV-HOCLYGCPSA-N 1 1 345.447 0.899 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000985441444 748033725 /nfs/dbraw/zinc/03/37/25/748033725.db2.gz IPUPECRRMZFHIJ-UHFFFAOYSA-N 1 1 340.815 0.052 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1=O ZINC001029685827 748061858 /nfs/dbraw/zinc/06/18/58/748061858.db2.gz CSOCJUSEFAORAV-HOCLYGCPSA-N 1 1 345.447 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001029685827 748061864 /nfs/dbraw/zinc/06/18/64/748061864.db2.gz CSOCJUSEFAORAV-HOCLYGCPSA-N 1 1 345.447 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001029685827 748061872 /nfs/dbraw/zinc/06/18/72/748061872.db2.gz CSOCJUSEFAORAV-HOCLYGCPSA-N 1 1 345.447 0.519 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC001003057212 748126422 /nfs/dbraw/zinc/12/64/22/748126422.db2.gz XQKCRGJSIJFHSA-SFHVURJKSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccn(C)c2)C1 ZINC000979642326 748172952 /nfs/dbraw/zinc/17/29/52/748172952.db2.gz KGDUARONFUJSIH-XIRDDKMYSA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccn(C)c2)C1 ZINC000979642326 748172956 /nfs/dbraw/zinc/17/29/56/748172956.db2.gz KGDUARONFUJSIH-XIRDDKMYSA-N 1 1 342.443 0.747 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C)ncn2)C1=O ZINC001027828282 748226459 /nfs/dbraw/zinc/22/64/59/748226459.db2.gz IPXNDBFNCFSUJT-ZBFHGGJFSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C)ncn2)C1=O ZINC001027828282 748226470 /nfs/dbraw/zinc/22/64/70/748226470.db2.gz IPXNDBFNCFSUJT-ZBFHGGJFSA-N 1 1 343.431 0.766 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027830506 748264249 /nfs/dbraw/zinc/26/42/49/748264249.db2.gz CQRSSICGSUEFAC-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027830506 748264255 /nfs/dbraw/zinc/26/42/55/748264255.db2.gz CQRSSICGSUEFAC-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC001003192848 748278495 /nfs/dbraw/zinc/27/84/95/748278495.db2.gz DYFMUWJUBSSZDT-WCXIOVBPSA-N 1 1 345.443 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC001003192848 748278502 /nfs/dbraw/zinc/27/85/02/748278502.db2.gz DYFMUWJUBSSZDT-WCXIOVBPSA-N 1 1 345.443 0.369 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(CCOC)nn3)C[C@H]2C1 ZINC000979724949 748292869 /nfs/dbraw/zinc/29/28/69/748292869.db2.gz QLMZCFOYAOSRED-HRCADAONSA-N 1 1 345.447 0.778 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088594483 752259695 /nfs/dbraw/zinc/25/96/95/752259695.db2.gz LGDCFCXXXHSWES-RISCZKNCSA-N 1 1 330.417 0.990 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088594483 752259700 /nfs/dbraw/zinc/25/97/00/752259700.db2.gz LGDCFCXXXHSWES-RISCZKNCSA-N 1 1 330.417 0.990 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001028291341 752260268 /nfs/dbraw/zinc/26/02/68/752260268.db2.gz CWFRAGJTGVMAIP-LBPRGKRZSA-N 1 1 325.372 0.948 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027834235 748336090 /nfs/dbraw/zinc/33/60/90/748336090.db2.gz WMSHMCXUFAYVSB-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027834235 748336093 /nfs/dbraw/zinc/33/60/93/748336093.db2.gz WMSHMCXUFAYVSB-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2cnc3ccc(OC)nn32)CC1 ZINC000985505148 748343701 /nfs/dbraw/zinc/34/37/01/748343701.db2.gz BSBISDPPXHPLFW-UHFFFAOYSA-N 1 1 327.388 0.908 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)nn1 ZINC001098727689 748394531 /nfs/dbraw/zinc/39/45/31/748394531.db2.gz GSRBZEKIZVTVEX-KFWWJZLASA-N 1 1 346.435 0.051 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cccn2)c[nH]1 ZINC001027836779 748406212 /nfs/dbraw/zinc/40/62/12/748406212.db2.gz YCHCFTBDOFOXPZ-JKSUJKDBSA-N 1 1 342.403 0.338 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC000979793521 748408956 /nfs/dbraw/zinc/40/89/56/748408956.db2.gz GWPXTTFFYNWDQK-HRCADAONSA-N 1 1 335.448 0.638 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)CN2CCCCS2(=O)=O)CC1 ZINC000985540947 748433520 /nfs/dbraw/zinc/43/35/20/748433520.db2.gz WXQAASNWESNQSE-UHFFFAOYSA-N 1 1 329.466 0.521 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3cnoc3)C2)C1=O ZINC001029815576 748557880 /nfs/dbraw/zinc/55/78/80/748557880.db2.gz OGDSCKHQMPIDPG-ZBFHGGJFSA-N 1 1 346.431 0.784 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001003452568 748569084 /nfs/dbraw/zinc/56/90/84/748569084.db2.gz DUVBXFPCKOJQRV-SHBDPFAUSA-N 1 1 347.459 0.636 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001003467667 748585116 /nfs/dbraw/zinc/58/51/16/748585116.db2.gz IOCFNJHHYORYPB-AWEZNQCLSA-N 1 1 340.427 0.593 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001029821547 748598414 /nfs/dbraw/zinc/59/84/14/748598414.db2.gz NYDNKKJJGGWWIZ-ZDUSSCGKSA-N 1 1 330.388 0.332 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029822009 748603759 /nfs/dbraw/zinc/60/37/59/748603759.db2.gz WXWHPVNTIMTOQI-HOTGVXAUSA-N 1 1 341.415 0.520 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cnn(C)n2)C1 ZINC001029845228 748749844 /nfs/dbraw/zinc/74/98/44/748749844.db2.gz AVNUBKXXUKXVOR-BMFZPTHFSA-N 1 1 333.436 0.687 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cnn(C)n2)C1 ZINC001029845228 748749847 /nfs/dbraw/zinc/74/98/47/748749847.db2.gz AVNUBKXXUKXVOR-BMFZPTHFSA-N 1 1 333.436 0.687 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)[C@@H]1COC(=O)N1 ZINC001027860757 748816471 /nfs/dbraw/zinc/81/64/71/748816471.db2.gz KXADXBHTXOIURN-HOTGVXAUSA-N 1 1 345.374 0.866 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)[C@@H]1COC(=O)N1 ZINC001027860757 748816473 /nfs/dbraw/zinc/81/64/73/748816473.db2.gz KXADXBHTXOIURN-HOTGVXAUSA-N 1 1 345.374 0.866 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)C1=O ZINC001029852891 748830704 /nfs/dbraw/zinc/83/07/04/748830704.db2.gz JJPJADWGWFQYSR-HOCLYGCPSA-N 1 1 345.447 0.519 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3ccnnc3)CC2)C1=O ZINC000985669010 748841903 /nfs/dbraw/zinc/84/19/03/748841903.db2.gz WVLMTJFWAJQXSW-INIZCTEOSA-N 1 1 343.431 0.800 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC001059624468 748877237 /nfs/dbraw/zinc/87/72/37/748877237.db2.gz QEBIHEFNOWICKB-HYVNUMGLSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC001059624468 748877241 /nfs/dbraw/zinc/87/72/41/748877241.db2.gz QEBIHEFNOWICKB-HYVNUMGLSA-N 1 1 347.459 0.474 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059624605 748878142 /nfs/dbraw/zinc/87/81/42/748878142.db2.gz SXHHMERRFUFYCE-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059624605 748878147 /nfs/dbraw/zinc/87/81/47/748878147.db2.gz SXHHMERRFUFYCE-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000980080157 748948340 /nfs/dbraw/zinc/94/83/40/748948340.db2.gz BJFXVWQFNVBALC-BZUAXINKSA-N 1 1 340.427 0.639 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)Cc3nnc[nH]3)CC2)C1=O ZINC000985743415 748993398 /nfs/dbraw/zinc/99/33/98/748993398.db2.gz NXPXOVCSJBYMKQ-CQSZACIVSA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)Cc3nnc[n-]3)CC2)C1=O ZINC000985743415 748993405 /nfs/dbraw/zinc/99/34/05/748993405.db2.gz NXPXOVCSJBYMKQ-CQSZACIVSA-N 1 1 346.435 0.057 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@@H]2C1 ZINC000985790016 749105848 /nfs/dbraw/zinc/10/58/48/749105848.db2.gz MZTCYPLZBWKUHV-NCOADZHNSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@@H]2C1 ZINC000985790016 749105851 /nfs/dbraw/zinc/10/58/51/749105851.db2.gz MZTCYPLZBWKUHV-NCOADZHNSA-N 1 1 347.459 0.426 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001003984584 749107314 /nfs/dbraw/zinc/10/73/14/749107314.db2.gz GCFIYEAWKWINIW-INIZCTEOSA-N 1 1 346.475 0.450 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)nc1 ZINC001003998559 749125400 /nfs/dbraw/zinc/12/54/00/749125400.db2.gz WLRJVZQLBPBJQJ-CYBMUJFWSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)n(C)c3=O)C[C@@H]2C1 ZINC000980194616 749128949 /nfs/dbraw/zinc/12/89/49/749128949.db2.gz YCWROXRBWVYJSY-MJBXVCDLSA-N 1 1 346.431 0.100 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCO)C[C@@H]3C2)nn1 ZINC000980183400 749131402 /nfs/dbraw/zinc/13/14/02/749131402.db2.gz LBJQQGGFBQAFFR-QLFBSQMISA-N 1 1 333.436 0.677 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1cncc(C#N)n1 ZINC001126254356 749142983 /nfs/dbraw/zinc/14/29/83/749142983.db2.gz GHINMCQGDBQJFZ-AWEZNQCLSA-N 1 1 332.408 0.011 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1nccnc1C#N ZINC001126254693 749154197 /nfs/dbraw/zinc/15/41/97/749154197.db2.gz LVWMIKWSMANEAZ-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC3(C)C)CC2)CC1 ZINC000985824108 749176301 /nfs/dbraw/zinc/17/63/01/749176301.db2.gz CBTLPDYFQZHHSJ-MRXNPFEDSA-N 1 1 346.475 0.938 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 ZINC000980207387 749185762 /nfs/dbraw/zinc/18/57/62/749185762.db2.gz JHLGYQWVNAJTHH-RRFJBIMHSA-N 1 1 348.447 0.673 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001004146443 749258840 /nfs/dbraw/zinc/25/88/40/749258840.db2.gz SSLMVOYHVIUZAF-INIZCTEOSA-N 1 1 334.464 0.450 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC000980256631 749263234 /nfs/dbraw/zinc/26/32/34/749263234.db2.gz UXAYXGSCMFMSAM-RRFJBIMHSA-N 1 1 331.416 0.375 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC000980256634 749263558 /nfs/dbraw/zinc/26/35/58/749263558.db2.gz UXAYXGSCMFMSAM-ZNMIVQPWSA-N 1 1 331.416 0.375 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3ncccn3)C2)nn1 ZINC001105345932 749268459 /nfs/dbraw/zinc/26/84/59/749268459.db2.gz QLNPNBFUMMLIMZ-UHFFFAOYSA-N 1 1 343.391 0.057 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001078251395 782558752 /nfs/dbraw/zinc/55/87/52/782558752.db2.gz KSBRLBVPPIVYPY-HUUCEWRRSA-N 1 1 330.388 0.236 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3[nH]cnc3CC)C2)C1=O ZINC000980282354 749309570 /nfs/dbraw/zinc/30/95/70/749309570.db2.gz DEOOINXJCZJVRM-DZGCQCFKSA-N 1 1 345.447 0.905 20 30 ECEDMO C[N@@H+](CC(=O)NCCN(c1nccnc1C#N)C1CC1)C1CCC1 ZINC001101462275 749450435 /nfs/dbraw/zinc/45/04/35/749450435.db2.gz OOIWMSHIEGJNRC-UHFFFAOYSA-N 1 1 328.420 0.918 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCN(C)C3=O)C2)cn1 ZINC001029893039 749480860 /nfs/dbraw/zinc/48/08/60/749480860.db2.gz YWPUHRGWVNTPAW-RHSMWYFYSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCN(C)C3=O)C2)cn1 ZINC001029893041 749480914 /nfs/dbraw/zinc/48/09/14/749480914.db2.gz YWPUHRGWVNTPAW-YOEHRIQHSA-N 1 1 340.427 0.688 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001004498990 749571570 /nfs/dbraw/zinc/57/15/70/749571570.db2.gz JRUNUJANGOMPQO-QGZVFWFLSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001004549338 749610472 /nfs/dbraw/zinc/61/04/72/749610472.db2.gz XIWNFQUQEHRWIH-IXDOHACOSA-N 1 1 347.459 0.746 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)[C@H]3CCCNC3=O)C2)CC1 ZINC000980477355 749629777 /nfs/dbraw/zinc/62/97/77/749629777.db2.gz FFRZQBFIVVJDEE-IRXDYDNUSA-N 1 1 346.475 0.143 20 30 ECEDMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000986181109 749640035 /nfs/dbraw/zinc/64/00/35/749640035.db2.gz FVERISUCWLCZFX-GXFFZTMASA-N 1 1 340.391 0.601 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001004575195 749648474 /nfs/dbraw/zinc/64/84/74/749648474.db2.gz ALVIGVAQDICCDN-LSDHHAIUSA-N 1 1 346.431 0.311 20 30 ECEDMO N#CCN1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004577198 749650453 /nfs/dbraw/zinc/65/04/53/749650453.db2.gz QXNLGPHBXSBPOJ-QGZVFWFLSA-N 1 1 334.464 0.935 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1C ZINC001027944326 749679034 /nfs/dbraw/zinc/67/90/34/749679034.db2.gz VIFMGCVQGDLHLE-ROUUACIJSA-N 1 1 343.475 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ncc(C)cn1 ZINC001027944543 749680716 /nfs/dbraw/zinc/68/07/16/749680716.db2.gz ZNENOZGBCOYQHH-SJORKVTESA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ncc(C)cn1 ZINC001027944543 749680719 /nfs/dbraw/zinc/68/07/19/749680719.db2.gz ZNENOZGBCOYQHH-SJORKVTESA-N 1 1 341.459 0.963 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001004610153 749682980 /nfs/dbraw/zinc/68/29/80/749682980.db2.gz NWSUJTVCFUFDMR-LSDHHAIUSA-N 1 1 348.447 0.864 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001004618949 749695738 /nfs/dbraw/zinc/69/57/38/749695738.db2.gz INLVEDUTMHAMPA-OAHLLOKOSA-N 1 1 346.435 0.266 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]2C1 ZINC000986404385 749863556 /nfs/dbraw/zinc/86/35/56/749863556.db2.gz ZXJHBPKTLFLLCY-YUELXQCFSA-N 1 1 329.404 0.658 20 30 ECEDMO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001004807667 749892168 /nfs/dbraw/zinc/89/21/68/749892168.db2.gz ICOAURUBLPHVMT-FZMZJTMJSA-N 1 1 342.407 0.583 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnn(C)c3)[C@H]2C)C1=O ZINC001088490624 749948260 /nfs/dbraw/zinc/94/82/60/749948260.db2.gz KDRULFXAHPHNLR-KBMXLJTQSA-N 1 1 345.447 0.329 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cccn3C)CC2)C1=O ZINC000980715464 750008862 /nfs/dbraw/zinc/00/88/62/750008862.db2.gz OIMZSQOHUTVCGF-INIZCTEOSA-N 1 1 330.432 0.960 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cccn3C)CC2)C1=O ZINC000980715464 750008868 /nfs/dbraw/zinc/00/88/68/750008868.db2.gz OIMZSQOHUTVCGF-INIZCTEOSA-N 1 1 330.432 0.960 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001029946210 750023926 /nfs/dbraw/zinc/02/39/26/750023926.db2.gz HWFWZTFGHQQOBN-ZFWWWQNUSA-N 1 1 341.477 0.751 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC001029958018 750080922 /nfs/dbraw/zinc/08/09/22/750080922.db2.gz AKUGSHJXJURPKB-MRXNPFEDSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCCOCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058845507 750087595 /nfs/dbraw/zinc/08/75/95/750087595.db2.gz PPPZUGBEIBJVAZ-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058848590 750160076 /nfs/dbraw/zinc/16/00/76/750160076.db2.gz HNEMPSWOXNWMTP-ZIAGYGMSSA-N 1 1 325.453 0.333 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088505758 750191614 /nfs/dbraw/zinc/19/16/14/750191614.db2.gz UFEJCAQWFPOLRF-FHLIZLRMSA-N 1 1 342.443 0.968 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2snnc2C)C1 ZINC001149130082 750259184 /nfs/dbraw/zinc/25/91/84/750259184.db2.gz KIHPXKFVHRHBOX-CYBMUJFWSA-N 1 1 338.433 0.317 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@H](CNC(=O)c2snnc2C)C1 ZINC001149130082 750259186 /nfs/dbraw/zinc/25/91/86/750259186.db2.gz KIHPXKFVHRHBOX-CYBMUJFWSA-N 1 1 338.433 0.317 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001027999646 750282176 /nfs/dbraw/zinc/28/21/76/750282176.db2.gz MFFUFMMHQDBAMV-ZDUSSCGKSA-N 1 1 328.372 0.630 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccnnc2C)C1=O ZINC001028001461 750292043 /nfs/dbraw/zinc/29/20/43/750292043.db2.gz VHJRTAYAQAVOPY-GOEBONIOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccnnc2C)C1=O ZINC001028001461 750292049 /nfs/dbraw/zinc/29/20/49/750292049.db2.gz VHJRTAYAQAVOPY-GOEBONIOSA-N 1 1 343.431 0.766 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001028012297 750370272 /nfs/dbraw/zinc/37/02/72/750370272.db2.gz KLSSTIXWSZOEDD-CQSZACIVSA-N 1 1 332.404 0.107 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3cc(C)n[nH]3)CC2)C1=O ZINC000980951662 750381676 /nfs/dbraw/zinc/38/16/76/750381676.db2.gz MOPDJSPIQSWQEG-INIZCTEOSA-N 1 1 345.447 0.582 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3cc(C)n[nH]3)CC2)C1=O ZINC000980951662 750381682 /nfs/dbraw/zinc/38/16/82/750381682.db2.gz MOPDJSPIQSWQEG-INIZCTEOSA-N 1 1 345.447 0.582 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccn(C)c3)CC2)C1=O ZINC000980969477 750397843 /nfs/dbraw/zinc/39/78/43/750397843.db2.gz URGPRHSOGPFBRT-INIZCTEOSA-N 1 1 330.432 0.960 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccn(C)c3)CC2)C1=O ZINC000980969477 750397851 /nfs/dbraw/zinc/39/78/51/750397851.db2.gz URGPRHSOGPFBRT-INIZCTEOSA-N 1 1 330.432 0.960 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC000991604203 762036997 /nfs/dbraw/zinc/03/69/97/762036997.db2.gz AXXPORKOSBGNEM-GJZGRUSLSA-N 1 1 348.447 0.872 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cn(CC)nn3)[C@H]2C)nn1 ZINC000987135796 750523861 /nfs/dbraw/zinc/52/38/61/750523861.db2.gz RLCBAEYWEMVKLB-TZMCWYRMSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncccn3)[C@H]2C)nn1 ZINC000987137413 750532748 /nfs/dbraw/zinc/53/27/48/750532748.db2.gz YUZPQTGFNZQOBU-CHWSQXEVSA-N 1 1 327.392 0.647 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncccn3)[C@@H]2C)nn1 ZINC000987137418 750533663 /nfs/dbraw/zinc/53/36/63/750533663.db2.gz YUZPQTGFNZQOBU-QWHCGFSZSA-N 1 1 327.392 0.647 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cnc(OC)nc3)C2)nn1 ZINC001105356493 750559264 /nfs/dbraw/zinc/55/92/64/750559264.db2.gz VKLBSFURRUJVSS-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cncs2)C1 ZINC001005761854 750605757 /nfs/dbraw/zinc/60/57/57/750605757.db2.gz RDLJUQVGSUZOLC-JSGCOSHPSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cncs2)C1 ZINC001005761854 750605760 /nfs/dbraw/zinc/60/57/60/750605760.db2.gz RDLJUQVGSUZOLC-JSGCOSHPSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2snnc2C)CC1 ZINC000981365690 750627954 /nfs/dbraw/zinc/62/79/54/750627954.db2.gz VWYGYAWKIGHOMG-HNNXBMFYSA-N 1 1 347.488 0.978 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2snnc2C)CC1 ZINC000981365690 750627959 /nfs/dbraw/zinc/62/79/59/750627959.db2.gz VWYGYAWKIGHOMG-HNNXBMFYSA-N 1 1 347.488 0.978 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](CCNC(=O)CSCC#N)C1 ZINC001059788597 750662153 /nfs/dbraw/zinc/66/21/53/750662153.db2.gz JJQUQBLAYPZFFI-CQSZACIVSA-N 1 1 340.493 0.938 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cnc[nH]c3=O)CC2)C1=O ZINC000981418162 750676354 /nfs/dbraw/zinc/67/63/54/750676354.db2.gz ZTFHLTQCIQNKFI-CQSZACIVSA-N 1 1 345.403 0.117 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cnc[nH]c3=O)CC2)C1=O ZINC000981418162 750676359 /nfs/dbraw/zinc/67/63/59/750676359.db2.gz ZTFHLTQCIQNKFI-CQSZACIVSA-N 1 1 345.403 0.117 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000981493840 750743618 /nfs/dbraw/zinc/74/36/18/750743618.db2.gz TVIWRDCERZXHCQ-NXOAAHMSSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000981493840 750743625 /nfs/dbraw/zinc/74/36/25/750743625.db2.gz TVIWRDCERZXHCQ-NXOAAHMSSA-N 1 1 347.459 0.522 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001005871350 750749135 /nfs/dbraw/zinc/74/91/35/750749135.db2.gz RAKVYJNQQZJRSL-LRDDRELGSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnc(C)n2C)C1=O ZINC001028098844 750773152 /nfs/dbraw/zinc/77/31/52/750773152.db2.gz WQLHUFFZXGQXRG-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnc(C)n2C)C1=O ZINC001028098844 750773156 /nfs/dbraw/zinc/77/31/56/750773156.db2.gz WQLHUFFZXGQXRG-CABCVRRESA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccn(C)c2)C1 ZINC001005905146 750782628 /nfs/dbraw/zinc/78/26/28/750782628.db2.gz HLVOGMLJHSOZLV-YOEHRIQHSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccn(C)c2)C1 ZINC001005905146 750782632 /nfs/dbraw/zinc/78/26/32/750782632.db2.gz HLVOGMLJHSOZLV-YOEHRIQHSA-N 1 1 342.443 0.699 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC000987413355 750810408 /nfs/dbraw/zinc/81/04/08/750810408.db2.gz FHQLEVONRCEAEN-XJKSGUPXSA-N 1 1 338.415 0.513 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001005928391 750811860 /nfs/dbraw/zinc/81/18/60/750811860.db2.gz ZAYKFXXYTLKZBC-STQMWFEESA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001005929169 750812945 /nfs/dbraw/zinc/81/29/45/750812945.db2.gz ODLVFDUJXWPWGH-NHYWBVRUSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001005940095 750822817 /nfs/dbraw/zinc/82/28/17/750822817.db2.gz QSTUAPYIIFEAEX-VXGBXAGGSA-N 1 1 329.404 0.415 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)[C@H]4CCCO4)C3)C2)C1=O ZINC000981606642 750861109 /nfs/dbraw/zinc/86/11/09/750861109.db2.gz MVAVAWYYUXKSGQ-HZPDHXFCSA-N 1 1 347.459 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)[C@@H]4CCCO4)C3)C2)C1=O ZINC000981606641 750861536 /nfs/dbraw/zinc/86/15/36/750861536.db2.gz MVAVAWYYUXKSGQ-HOTGVXAUSA-N 1 1 347.459 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2[nH]ccc2C)C1 ZINC001005989618 750890975 /nfs/dbraw/zinc/89/09/75/750890975.db2.gz LOVXSOLGVOHGEJ-ZBFHGGJFSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2[nH]ccc2C)C1 ZINC001005989618 750890983 /nfs/dbraw/zinc/89/09/83/750890983.db2.gz LOVXSOLGVOHGEJ-ZBFHGGJFSA-N 1 1 342.443 0.997 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028108951 750892640 /nfs/dbraw/zinc/89/26/40/750892640.db2.gz BFHOMFZNGGRRGM-CABCVRRESA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028108951 750892645 /nfs/dbraw/zinc/89/26/45/750892645.db2.gz BFHOMFZNGGRRGM-CABCVRRESA-N 1 1 327.388 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)c4ccn[nH]4)C3)C2)C1=O ZINC000981637207 750913065 /nfs/dbraw/zinc/91/30/65/750913065.db2.gz QNIZXLPSXSIZPW-HNNXBMFYSA-N 1 1 343.431 0.735 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC3(CN(C(=O)c4cc[nH]n4)C3)C2)C1=O ZINC000981637207 750913068 /nfs/dbraw/zinc/91/30/68/750913068.db2.gz QNIZXLPSXSIZPW-HNNXBMFYSA-N 1 1 343.431 0.735 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)c4cc[nH]n4)C3)C2)C1=O ZINC000981637207 750913070 /nfs/dbraw/zinc/91/30/70/750913070.db2.gz QNIZXLPSXSIZPW-HNNXBMFYSA-N 1 1 343.431 0.735 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CNC(=O)N1 ZINC001028111945 750917115 /nfs/dbraw/zinc/91/71/15/750917115.db2.gz ZLXCHZBTEBMQMS-HOTGVXAUSA-N 1 1 326.400 0.300 20 30 ECEDMO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@@H]1CNC(=O)N1 ZINC001028111945 750917118 /nfs/dbraw/zinc/91/71/18/750917118.db2.gz ZLXCHZBTEBMQMS-HOTGVXAUSA-N 1 1 326.400 0.300 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC000981669793 750949584 /nfs/dbraw/zinc/94/95/84/750949584.db2.gz WZUGUKYAEMSFPM-HUUCEWRRSA-N 1 1 331.420 0.328 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+][C@@H](C)c2nc(CC)no2)nn1 ZINC001167848138 750965557 /nfs/dbraw/zinc/96/55/57/750965557.db2.gz PLXNAZHOHDUFGK-NSHDSACASA-N 1 1 333.396 0.880 20 30 ECEDMO O=C([C@@H]1CCNC1=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981746782 751066254 /nfs/dbraw/zinc/06/62/54/751066254.db2.gz NEWRSUMFKDNUSV-QGZVFWFLSA-N 1 1 325.412 0.709 20 30 ECEDMO O=C([C@@H]1CCNC1=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981746782 751066261 /nfs/dbraw/zinc/06/62/61/751066261.db2.gz NEWRSUMFKDNUSV-QGZVFWFLSA-N 1 1 325.412 0.709 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@]34CCOC4)C2)nn1 ZINC001105357954 751076395 /nfs/dbraw/zinc/07/63/95/751076395.db2.gz PGFKXPSXTAEJCN-DOTOQJQBSA-N 1 1 331.420 0.754 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC000981801365 751116554 /nfs/dbraw/zinc/11/65/54/751116554.db2.gz RYDBRFFBWGEUOW-MRXNPFEDSA-N 1 1 347.459 0.429 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)C(=O)NC)C2 ZINC000981819228 751135208 /nfs/dbraw/zinc/13/52/08/751135208.db2.gz SOPFYVWRPAGXCX-CVEARBPZSA-N 1 1 346.475 0.143 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCO[C@H]2C)CC1 ZINC001098514238 751162539 /nfs/dbraw/zinc/16/25/39/751162539.db2.gz LWFDTHUTJUZPIS-RDJZCZTQSA-N 1 1 338.448 0.347 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c1 ZINC000981850284 751188484 /nfs/dbraw/zinc/18/84/84/751188484.db2.gz BTBLNQXJAIUIOR-HNNXBMFYSA-N 1 1 327.388 0.274 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c1 ZINC000981850284 751188485 /nfs/dbraw/zinc/18/84/85/751188485.db2.gz BTBLNQXJAIUIOR-HNNXBMFYSA-N 1 1 327.388 0.274 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)Cn3nnc(-c4ccco4)n3)C2)C1 ZINC000981865370 751218133 /nfs/dbraw/zinc/21/81/33/751218133.db2.gz QQPWCBWOBBSYRU-UHFFFAOYSA-N 1 1 340.387 0.491 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981879149 751230925 /nfs/dbraw/zinc/23/09/25/751230925.db2.gz ZQYPWWLBCDLKAD-HNNXBMFYSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981879149 751230933 /nfs/dbraw/zinc/23/09/33/751230933.db2.gz ZQYPWWLBCDLKAD-HNNXBMFYSA-N 1 1 338.473 0.759 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+]([C@@H]3CCNC3=O)CC2)cn1 ZINC001006313140 751231857 /nfs/dbraw/zinc/23/18/57/751231857.db2.gz LHOOMBFBSFDOKA-MRXNPFEDSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)Cc3ccccc3C(N)=O)C2)C1 ZINC000981931293 751297512 /nfs/dbraw/zinc/29/75/12/751297512.db2.gz WMIFKDQJBODXIW-UHFFFAOYSA-N 1 1 325.412 0.886 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041564 752433834 /nfs/dbraw/zinc/43/38/34/752433834.db2.gz UOSGRGAVJKAGLY-DXCKQFNASA-N 1 1 345.399 0.933 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041564 752433837 /nfs/dbraw/zinc/43/38/37/752433837.db2.gz UOSGRGAVJKAGLY-DXCKQFNASA-N 1 1 345.399 0.933 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988650320 752469545 /nfs/dbraw/zinc/46/95/45/752469545.db2.gz DUDCERQIGOFCRA-WCQYABFASA-N 1 1 345.382 0.840 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000988650270 752469768 /nfs/dbraw/zinc/46/97/68/752469768.db2.gz DTIJIRJMZVSMRI-YPMHNXCESA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nnc(C)[nH]2)C1 ZINC001007519272 752475617 /nfs/dbraw/zinc/47/56/17/752475617.db2.gz NDUXUXUKENIWRN-CABCVRRESA-N 1 1 330.436 0.291 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nnc(C)[nH]2)C1 ZINC001007519272 752475624 /nfs/dbraw/zinc/47/56/24/752475624.db2.gz NDUXUXUKENIWRN-CABCVRRESA-N 1 1 330.436 0.291 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC000937757408 752505511 /nfs/dbraw/zinc/50/55/11/752505511.db2.gz MUTOBZSWSCJUTR-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC000937757408 752505516 /nfs/dbraw/zinc/50/55/16/752505516.db2.gz MUTOBZSWSCJUTR-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cnccn3)C2)C1=O ZINC001028382253 752509921 /nfs/dbraw/zinc/50/99/21/752509921.db2.gz RBWJMZRUHWZPTI-ZFWWWQNUSA-N 1 1 329.404 0.315 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001028391782 752529735 /nfs/dbraw/zinc/52/97/35/752529735.db2.gz LVDWNWODZHYSJI-ZBFHGGJFSA-N 1 1 344.415 0.159 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)NC(=O)CC)C2)nn1 ZINC001098678352 752530749 /nfs/dbraw/zinc/53/07/49/752530749.db2.gz HJMQEEPWUCDGIY-TZMCWYRMSA-N 1 1 334.424 0.242 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NCc3nccn3CC)C2)CC1 ZINC001021092906 752533860 /nfs/dbraw/zinc/53/38/60/752533860.db2.gz VGEZKMXGCLIYEU-QAQDUYKDSA-N 1 1 343.475 0.985 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C)n2)[C@@H]1C ZINC000988737878 752639825 /nfs/dbraw/zinc/63/98/25/752639825.db2.gz IRBXVXMFVPFRJF-INWMFGNUSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C)n2)[C@@H]1C ZINC000988737878 752639826 /nfs/dbraw/zinc/63/98/26/752639826.db2.gz IRBXVXMFVPFRJF-INWMFGNUSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001087457299 752710886 /nfs/dbraw/zinc/71/08/86/752710886.db2.gz SYYCBIZGWSBWJM-BRWVUGGUSA-N 1 1 343.402 0.869 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001087457299 752710889 /nfs/dbraw/zinc/71/08/89/752710889.db2.gz SYYCBIZGWSBWJM-BRWVUGGUSA-N 1 1 343.402 0.869 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001007657535 752726203 /nfs/dbraw/zinc/72/62/03/752726203.db2.gz MUPJYQQNKMHGRE-DNVCBOLYSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000988772063 752742792 /nfs/dbraw/zinc/74/27/92/752742792.db2.gz MTTFLGHQNVIQLX-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000988772063 752742797 /nfs/dbraw/zinc/74/27/97/752742797.db2.gz MTTFLGHQNVIQLX-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001028465966 752743546 /nfs/dbraw/zinc/74/35/46/752743546.db2.gz NWHHIVKRPZGEGN-RBUKOAKNSA-N 1 1 341.455 0.807 20 30 ECEDMO C[C@@H](c1nncn1C)[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467592 752761040 /nfs/dbraw/zinc/76/10/40/752761040.db2.gz FVQKUDFUDQHBAP-NWDGAFQWSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@@H](c1nncn1C)[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467592 752761045 /nfs/dbraw/zinc/76/10/45/752761045.db2.gz FVQKUDFUDQHBAP-NWDGAFQWSA-N 1 1 327.392 0.828 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1c[nH]cn1)CCO2 ZINC001007685084 752786554 /nfs/dbraw/zinc/78/65/54/752786554.db2.gz MUXCGORUQLCAKM-SFHVURJKSA-N 1 1 346.431 0.994 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)[nH]1 ZINC001028487552 752821872 /nfs/dbraw/zinc/82/18/72/752821872.db2.gz YSLGIDBYVJNXCO-OCCSQVGLSA-N 1 1 339.403 0.717 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001028491661 752836196 /nfs/dbraw/zinc/83/61/96/752836196.db2.gz GDBGMKNEZNUBNJ-BBRMVZONSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC000982543792 752842706 /nfs/dbraw/zinc/84/27/06/752842706.db2.gz QTMIKKDZGSWCNX-ZFWWWQNUSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC000982543792 752842711 /nfs/dbraw/zinc/84/27/11/752842711.db2.gz QTMIKKDZGSWCNX-ZFWWWQNUSA-N 1 1 330.388 0.351 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000982547788 752863206 /nfs/dbraw/zinc/86/32/06/752863206.db2.gz RKBGZFRCXFZJPC-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3coc(C)n3)C2)C1=O ZINC001028500046 752917303 /nfs/dbraw/zinc/91/73/03/752917303.db2.gz OBOFZCMFVPOHKG-ZFWWWQNUSA-N 1 1 332.404 0.822 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccnn3CC)C2)C1=O ZINC001028502623 752934775 /nfs/dbraw/zinc/93/47/75/752934775.db2.gz CGKQIWBCNTZAKT-ZBFHGGJFSA-N 1 1 345.447 0.742 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000982605453 753028428 /nfs/dbraw/zinc/02/84/28/753028428.db2.gz AKSKHTLQYDSVKQ-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2ccon2)C(C)(C)C1 ZINC001007924148 753079055 /nfs/dbraw/zinc/07/90/55/753079055.db2.gz IGWCQNBPQMSJSN-GJZGRUSLSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2ccon2)C(C)(C)C1 ZINC001007924148 753079058 /nfs/dbraw/zinc/07/90/58/753079058.db2.gz IGWCQNBPQMSJSN-GJZGRUSLSA-N 1 1 344.415 0.739 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCCN(CCOC)c1ccncc1C#N ZINC001126381135 753107247 /nfs/dbraw/zinc/10/72/47/753107247.db2.gz VEUHADQNMABKQF-UHFFFAOYSA-N 1 1 333.436 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000982636570 753185136 /nfs/dbraw/zinc/18/51/36/753185136.db2.gz APRKTGHRYCRFAI-RDJZCZTQSA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000982636570 753185139 /nfs/dbraw/zinc/18/51/39/753185139.db2.gz APRKTGHRYCRFAI-RDJZCZTQSA-N 1 1 342.443 0.701 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001008015034 753199608 /nfs/dbraw/zinc/19/96/08/753199608.db2.gz JKQUXAXZAXFICP-ZFWWWQNUSA-N 1 1 331.420 0.912 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000982661725 753240595 /nfs/dbraw/zinc/24/05/95/753240595.db2.gz TYGIHCOUEFWOQN-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001008051967 753243294 /nfs/dbraw/zinc/24/32/94/753243294.db2.gz IVSZQIQQGMVHNX-ZDUSSCGKSA-N 1 1 325.376 0.275 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001008051967 753243297 /nfs/dbraw/zinc/24/32/97/753243297.db2.gz IVSZQIQQGMVHNX-ZDUSSCGKSA-N 1 1 325.376 0.275 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2noc3c2COCC3)C1 ZINC001051494833 762206328 /nfs/dbraw/zinc/20/63/28/762206328.db2.gz NRAZERMQSYURDZ-NEPJUHHUSA-N 1 1 334.376 0.224 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C3CCC3)n2C)C1 ZINC001051495000 762207722 /nfs/dbraw/zinc/20/77/22/762207722.db2.gz PUJAVTMQTKWQRY-TZMCWYRMSA-N 1 1 346.435 0.559 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001028581631 753380545 /nfs/dbraw/zinc/38/05/45/753380545.db2.gz KYZDUCDRVFKCFX-SJORKVTESA-N 1 1 340.427 0.975 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3c(C)n[nH]c3C)C2)nn1 ZINC001105370974 753396423 /nfs/dbraw/zinc/39/64/23/753396423.db2.gz DLKDBCMVOJNSKA-UHFFFAOYSA-N 1 1 343.435 0.910 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982717109 753397195 /nfs/dbraw/zinc/39/71/95/753397195.db2.gz OMLZSKPRDJPJOW-CALCHBBNSA-N 1 1 334.420 0.285 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001008168756 753407113 /nfs/dbraw/zinc/40/71/13/753407113.db2.gz JXSYRDGMLGSONH-HNNXBMFYSA-N 1 1 330.436 0.936 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001008168756 753407119 /nfs/dbraw/zinc/40/71/19/753407119.db2.gz JXSYRDGMLGSONH-HNNXBMFYSA-N 1 1 330.436 0.936 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccnc4nc(C)nn43)C[C@@]2(C)C1 ZINC000982729283 753429299 /nfs/dbraw/zinc/42/92/99/753429299.db2.gz UCKBFMCXRHSBIU-HDICACEKSA-N 1 1 338.415 0.850 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@]3(C)C[N@H+](CC(=O)NC)C[C@]3(C)C2)nc1 ZINC000982741777 753472257 /nfs/dbraw/zinc/47/22/57/753472257.db2.gz VGZXAYWASWTPPM-KDURUIRLSA-N 1 1 340.427 0.593 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2CCCO2)C(C)(C)C1 ZINC001008235369 753491444 /nfs/dbraw/zinc/49/14/44/753491444.db2.gz BSBBRHZXNJQCLG-ARFHVFGLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2CCCO2)C(C)(C)C1 ZINC001008235369 753491446 /nfs/dbraw/zinc/49/14/46/753491446.db2.gz BSBBRHZXNJQCLG-ARFHVFGLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982782601 753541198 /nfs/dbraw/zinc/54/11/98/753541198.db2.gz OGIHOZKOEYEYIQ-DOPJRALCSA-N 1 1 346.431 0.168 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2cnco2)CC1(C)C ZINC001008278858 753541445 /nfs/dbraw/zinc/54/14/45/753541445.db2.gz UEPDDTWNHQLXOR-ZFWWWQNUSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2cnco2)CC1(C)C ZINC001008278858 753541450 /nfs/dbraw/zinc/54/14/50/753541450.db2.gz UEPDDTWNHQLXOR-ZFWWWQNUSA-N 1 1 344.415 0.739 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2nc(Cl)c(C#N)s2)C1 ZINC001105853350 762224123 /nfs/dbraw/zinc/22/41/23/762224123.db2.gz MHPBWWIXGIDSTB-BDAKNGLRSA-N 1 1 343.840 0.509 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982792823 753600333 /nfs/dbraw/zinc/60/03/33/753600333.db2.gz MHPSIUSUOBFSGS-HDICACEKSA-N 1 1 331.416 0.329 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1 ZINC001008369203 753665129 /nfs/dbraw/zinc/66/51/29/753665129.db2.gz BVWMXNWWKHRJST-GJZGRUSLSA-N 1 1 327.388 0.320 20 30 ECEDMO C#CCNCc1cn([C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001098683120 753691268 /nfs/dbraw/zinc/69/12/68/753691268.db2.gz QDWLHQCJAGQMLM-MRXNPFEDSA-N 1 1 330.436 0.259 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001083368116 753702199 /nfs/dbraw/zinc/70/21/99/753702199.db2.gz CZRRMBOFHBRCIT-ZACQAIPSSA-N 1 1 346.406 0.453 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001059972249 753737031 /nfs/dbraw/zinc/73/70/31/753737031.db2.gz KTFALHHKLYQWJF-IAGOWNOFSA-N 1 1 349.475 0.723 20 30 ECEDMO CN(CCN(C)c1ccnc(C#N)n1)C(=O)c1cc(C[NH+](C)C)on1 ZINC001105500058 753750462 /nfs/dbraw/zinc/75/04/62/753750462.db2.gz QWRBRUQMFOPXIY-UHFFFAOYSA-N 1 1 343.391 0.606 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001008465679 753768885 /nfs/dbraw/zinc/76/88/85/753768885.db2.gz AAWHXHSONBQFIR-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001008465679 753768892 /nfs/dbraw/zinc/76/88/92/753768892.db2.gz AAWHXHSONBQFIR-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001101230639 753778219 /nfs/dbraw/zinc/77/82/19/753778219.db2.gz CRZGXGJRUQWMCH-DAYGRLMNSA-N 1 1 333.432 0.037 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@]2(C)C1 ZINC000982816765 753840087 /nfs/dbraw/zinc/84/00/87/753840087.db2.gz KUMSLXXFTUFSNG-AEGPPILISA-N 1 1 327.450 0.035 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)s1 ZINC001008547614 753899574 /nfs/dbraw/zinc/89/95/74/753899574.db2.gz PCJQGAJIAVMCJJ-HONMWMINSA-N 1 1 332.429 0.822 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)s1 ZINC001008547614 753899578 /nfs/dbraw/zinc/89/95/78/753899578.db2.gz PCJQGAJIAVMCJJ-HONMWMINSA-N 1 1 332.429 0.822 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001008560220 753914079 /nfs/dbraw/zinc/91/40/79/753914079.db2.gz SSTPPFUIWSCVGH-IMJJTQAJSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001008560220 753914083 /nfs/dbraw/zinc/91/40/83/753914083.db2.gz SSTPPFUIWSCVGH-IMJJTQAJSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc(C(N)=O)n3)C[C@@]2(C)C1 ZINC000982842584 753956890 /nfs/dbraw/zinc/95/68/90/753956890.db2.gz QHWXGDWSSPYOKK-HDICACEKSA-N 1 1 326.400 0.598 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@]3(C)CCOC3)CC2)C1=O ZINC000982872476 754046057 /nfs/dbraw/zinc/04/60/57/754046057.db2.gz VMXUHTSCEALGNJ-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@]3(C)CCOC3)CC2)C1=O ZINC000982872476 754046062 /nfs/dbraw/zinc/04/60/62/754046062.db2.gz VMXUHTSCEALGNJ-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO Cc1nc(N(C)CCN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)ccc1C#N ZINC001105602688 754088570 /nfs/dbraw/zinc/08/85/70/754088570.db2.gz OJPCUSRLWKHTGQ-CZUORRHYSA-N 1 1 345.447 0.875 20 30 ECEDMO Cc1nc(N(C)CCN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)ccc1C#N ZINC001105602688 754088574 /nfs/dbraw/zinc/08/85/74/754088574.db2.gz OJPCUSRLWKHTGQ-CZUORRHYSA-N 1 1 345.447 0.875 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001008813476 754145927 /nfs/dbraw/zinc/14/59/27/754145927.db2.gz GCIHELUUGBWWRT-DZGCQCFKSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001008813476 754145932 /nfs/dbraw/zinc/14/59/32/754145932.db2.gz GCIHELUUGBWWRT-DZGCQCFKSA-N 1 1 346.435 0.327 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ncoc2C)C1 ZINC000982920627 754198926 /nfs/dbraw/zinc/19/89/26/754198926.db2.gz DVMCAUJCAXILKJ-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ncoc2C)C1 ZINC000982920627 754198931 /nfs/dbraw/zinc/19/89/31/754198931.db2.gz DVMCAUJCAXILKJ-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000982921977 754203332 /nfs/dbraw/zinc/20/33/32/754203332.db2.gz IKSXSYCEVYVIBF-JYJNAYRXSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000982921977 754203335 /nfs/dbraw/zinc/20/33/35/754203335.db2.gz IKSXSYCEVYVIBF-JYJNAYRXSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2c[nH]cc2C)C1 ZINC000982924116 754208458 /nfs/dbraw/zinc/20/84/58/754208458.db2.gz UXAGHESVNFGNOZ-RDJZCZTQSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2c[nH]cc2C)C1 ZINC000982924116 754208467 /nfs/dbraw/zinc/20/84/67/754208467.db2.gz UXAGHESVNFGNOZ-RDJZCZTQSA-N 1 1 342.443 0.999 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001028654473 754283008 /nfs/dbraw/zinc/28/30/08/754283008.db2.gz OJHRKHFOOBBBIG-CJNGLKHVSA-N 1 1 345.447 0.811 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC000989730995 754359324 /nfs/dbraw/zinc/35/93/24/754359324.db2.gz SQGISJLMZUNESG-CZUORRHYSA-N 1 1 338.415 0.513 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000989738718 754388054 /nfs/dbraw/zinc/38/80/54/754388054.db2.gz IIFXSYYJEFXSKO-UHFFFAOYSA-N 1 1 348.451 0.480 20 30 ECEDMO C=CCC[N@@H+]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC000989738825 754388783 /nfs/dbraw/zinc/38/87/83/754388783.db2.gz KGLGWMHCHMCFRK-UHFFFAOYSA-N 1 1 334.424 0.090 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1Cl ZINC001105869567 762305266 /nfs/dbraw/zinc/30/52/66/762305266.db2.gz WKQGSJXLHZKGNR-LBPRGKRZSA-N 1 1 339.827 0.836 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](NCc3cnnn3C)C[C@H]2C)CC1 ZINC000989828467 754497201 /nfs/dbraw/zinc/49/72/01/754497201.db2.gz DHSIEEQEPXXURU-GDBMZVCRSA-N 1 1 344.463 0.239 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105377207 754506917 /nfs/dbraw/zinc/50/69/17/754506917.db2.gz UQTRONUHZPPNDO-BETUJISGSA-N 1 1 331.424 0.147 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)COCC)C1 ZINC001059083619 754571010 /nfs/dbraw/zinc/57/10/10/754571010.db2.gz QNOOZYKZTRCXFN-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)COCC)C1 ZINC001059083619 754571015 /nfs/dbraw/zinc/57/10/15/754571015.db2.gz QNOOZYKZTRCXFN-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000983081402 754578714 /nfs/dbraw/zinc/57/87/14/754578714.db2.gz GBRCGVRWTGILPT-QLFBSQMISA-N 1 1 337.464 0.882 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000983081402 754578720 /nfs/dbraw/zinc/57/87/20/754578720.db2.gz GBRCGVRWTGILPT-QLFBSQMISA-N 1 1 337.464 0.882 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4cn[nH]c4)CCC[C@H]23)C1=O ZINC000989965483 754597458 /nfs/dbraw/zinc/59/74/58/754597458.db2.gz BDBIHKHJLCUICZ-RLFYNMQTSA-N 1 1 343.431 0.923 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001060007739 754688483 /nfs/dbraw/zinc/68/84/83/754688483.db2.gz PQSDBYVVAPJNGB-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001060007739 754688490 /nfs/dbraw/zinc/68/84/90/754688490.db2.gz PQSDBYVVAPJNGB-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001009358460 754801560 /nfs/dbraw/zinc/80/15/60/754801560.db2.gz OLZAWCPTFAXLCQ-GFCCVEGCSA-N 1 1 325.372 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001009358460 754801566 /nfs/dbraw/zinc/80/15/66/754801566.db2.gz OLZAWCPTFAXLCQ-GFCCVEGCSA-N 1 1 325.372 0.948 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001009360393 754804366 /nfs/dbraw/zinc/80/43/66/754804366.db2.gz ZAMTXTVTJYSZLI-GFCCVEGCSA-N 1 1 325.372 0.948 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2conc2C)C1 ZINC000983208755 754866609 /nfs/dbraw/zinc/86/66/09/754866609.db2.gz GJZSSHIVRCXENT-ZBFHGGJFSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2conc2C)C1 ZINC000983208755 754866616 /nfs/dbraw/zinc/86/66/16/754866616.db2.gz GJZSSHIVRCXENT-ZBFHGGJFSA-N 1 1 344.415 0.659 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990252138 754879325 /nfs/dbraw/zinc/87/93/25/754879325.db2.gz PUDKMCQNGZPTEK-CKEIUWERSA-N 1 1 329.404 0.877 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)cc1 ZINC001028729994 754884728 /nfs/dbraw/zinc/88/47/28/754884728.db2.gz CDCAEZMDRIJBNJ-OAHLLOKOSA-N 1 1 325.412 0.998 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001028735961 754924483 /nfs/dbraw/zinc/92/44/83/754924483.db2.gz UVPKCPZTPZAOQY-HIFRSBDPSA-N 1 1 344.390 0.772 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059108001 755012019 /nfs/dbraw/zinc/01/20/19/755012019.db2.gz QLNIFPLIOGJEFC-KBPBESRZSA-N 1 1 328.420 0.657 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC001028792327 755137891 /nfs/dbraw/zinc/13/78/91/755137891.db2.gz HNGUKEHSGSMSGG-ZFWWWQNUSA-N 1 1 328.416 0.591 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)c1 ZINC001028792893 755142034 /nfs/dbraw/zinc/14/20/34/755142034.db2.gz OTFZWJKLUTXSHI-CQSZACIVSA-N 1 1 335.429 0.159 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+](CCS(C)(=O)=O)C2)c1 ZINC001028792893 755142037 /nfs/dbraw/zinc/14/20/37/755142037.db2.gz OTFZWJKLUTXSHI-CQSZACIVSA-N 1 1 335.429 0.159 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001028795011 755144869 /nfs/dbraw/zinc/14/48/69/755144869.db2.gz QMPFCHSDERAWBQ-HIFRSBDPSA-N 1 1 340.427 0.782 20 30 ECEDMO CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]nnc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105647423 755173636 /nfs/dbraw/zinc/17/36/36/755173636.db2.gz QYBPJCNZUOYVSB-DEICHXMPSA-N 1 1 345.447 0.716 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001028809642 755198698 /nfs/dbraw/zinc/19/86/98/755198698.db2.gz MEQQXNZOUKDXHA-OIISXLGYSA-N 1 1 332.448 0.992 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001028812775 755206508 /nfs/dbraw/zinc/20/65/08/755206508.db2.gz NWYWFVARCRDQEE-OAGGEKHMSA-N 1 1 335.448 0.638 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccn(CC)n3)C2)C1=O ZINC001028846246 755292401 /nfs/dbraw/zinc/29/24/01/755292401.db2.gz ZZIHVQOJEGQARL-ZBFHGGJFSA-N 1 1 345.447 0.742 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001028852623 755310729 /nfs/dbraw/zinc/31/07/29/755310729.db2.gz LDRSDPLRIATITF-SNVBAGLBSA-N 1 1 329.326 0.909 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC001028853769 755314676 /nfs/dbraw/zinc/31/46/76/755314676.db2.gz YECISOUVFXKRNG-HIFRSBDPSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncoc2CC)C1 ZINC000990569122 755419991 /nfs/dbraw/zinc/41/99/91/755419991.db2.gz HVPCEFZLGLVKHZ-ZDUSSCGKSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncoc2CC)C1 ZINC000990569122 755419996 /nfs/dbraw/zinc/41/99/96/755419996.db2.gz HVPCEFZLGLVKHZ-ZDUSSCGKSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000983369481 755436221 /nfs/dbraw/zinc/43/62/21/755436221.db2.gz NUYUZULVYMVHNU-ZBFHGGJFSA-N 1 1 343.431 0.015 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000983369481 755436222 /nfs/dbraw/zinc/43/62/22/755436222.db2.gz NUYUZULVYMVHNU-ZBFHGGJFSA-N 1 1 343.431 0.015 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3oncc3C)C2)C1=O ZINC001028902909 755442146 /nfs/dbraw/zinc/44/21/46/755442146.db2.gz HYECNINCHGPJGD-ZIAGYGMSSA-N 1 1 332.404 0.822 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001028918686 755477335 /nfs/dbraw/zinc/47/73/35/755477335.db2.gz LDGFRNQMQHZDTE-UONOGXRCSA-N 1 1 344.415 0.587 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC001088750798 755486059 /nfs/dbraw/zinc/48/60/59/755486059.db2.gz JCCKFIJCKUKVAD-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnccc2C)C1 ZINC000990614727 755497077 /nfs/dbraw/zinc/49/70/77/755497077.db2.gz TXRDOCSJMCBADE-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnccc2C)C1 ZINC000990614727 755497080 /nfs/dbraw/zinc/49/70/80/755497080.db2.gz TXRDOCSJMCBADE-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(C)c1C ZINC001075984100 755566726 /nfs/dbraw/zinc/56/67/26/755566726.db2.gz NUHLRKRLCHGYER-WFASDCNBSA-N 1 1 345.447 0.749 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1n[nH]c(C)c1C ZINC001075984100 755566730 /nfs/dbraw/zinc/56/67/30/755566730.db2.gz NUHLRKRLCHGYER-WFASDCNBSA-N 1 1 345.447 0.749 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@@H](O)C1 ZINC001083477519 755607840 /nfs/dbraw/zinc/60/78/40/755607840.db2.gz RUQCPDNFYUFQCX-IKGGRYGDSA-N 1 1 347.463 0.918 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(C)ncn3)C2)nn1 ZINC001098655954 755651633 /nfs/dbraw/zinc/65/16/33/755651633.db2.gz KTWXNEZWDGCKFK-CQSZACIVSA-N 1 1 327.392 0.739 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3[nH]nnc3C)[C@H]2C)C1=O ZINC001088788521 755676046 /nfs/dbraw/zinc/67/60/46/755676046.db2.gz OXYDRUSAEXQDGC-FRRDWIJNSA-N 1 1 332.408 0.093 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3[nH]nnc3C)[C@H]2C)C1=O ZINC001088788521 755676051 /nfs/dbraw/zinc/67/60/51/755676051.db2.gz OXYDRUSAEXQDGC-FRRDWIJNSA-N 1 1 332.408 0.093 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cn(-c3cccnc3)nn2)[C@@H](O)C1 ZINC001083510273 755787555 /nfs/dbraw/zinc/78/75/55/755787555.db2.gz WURNXEQGRYFFKY-HIFRSBDPSA-N 1 1 328.376 0.013 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@](C)(O)C3CC3)C2)nn1 ZINC001098659121 755791477 /nfs/dbraw/zinc/79/14/77/755791477.db2.gz MABAJGKKAPYMBG-WBVHZDCISA-N 1 1 333.436 0.878 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccc3c2oc(=O)n3C)[C@@H](O)C1 ZINC001083522292 755886467 /nfs/dbraw/zinc/88/64/67/755886467.db2.gz ARDXEXHQPFRCIQ-OCCSQVGLSA-N 1 1 331.372 0.483 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc3c2oc(=O)n3C)[C@@H](O)C1 ZINC001083522292 755886471 /nfs/dbraw/zinc/88/64/71/755886471.db2.gz ARDXEXHQPFRCIQ-OCCSQVGLSA-N 1 1 331.372 0.483 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001010293622 755953537 /nfs/dbraw/zinc/95/35/37/755953537.db2.gz NZDYJCHDTQTEET-ZFWWWQNUSA-N 1 1 331.420 0.563 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001010293622 755953539 /nfs/dbraw/zinc/95/35/39/755953539.db2.gz NZDYJCHDTQTEET-ZFWWWQNUSA-N 1 1 331.420 0.563 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O ZINC001083535843 755976080 /nfs/dbraw/zinc/97/60/80/755976080.db2.gz PIWWQXUJPPBRCZ-QYZOEREBSA-N 1 1 341.455 0.488 20 30 ECEDMO C=CCOCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076033780 756023685 /nfs/dbraw/zinc/02/36/85/756023685.db2.gz POTPWKGCOQWZNV-GJZGRUSLSA-N 1 1 341.452 0.311 20 30 ECEDMO C=CCOCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076033780 756023690 /nfs/dbraw/zinc/02/36/90/756023690.db2.gz POTPWKGCOQWZNV-GJZGRUSLSA-N 1 1 341.452 0.311 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001010388514 756073421 /nfs/dbraw/zinc/07/34/21/756073421.db2.gz SCRJEQBXAPSMPE-ZFWWWQNUSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001010388514 756073428 /nfs/dbraw/zinc/07/34/28/756073428.db2.gz SCRJEQBXAPSMPE-ZFWWWQNUSA-N 1 1 331.420 0.320 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(OC)ccc2OC)[C@@H](O)C1 ZINC001083542779 756104477 /nfs/dbraw/zinc/10/44/77/756104477.db2.gz PARCHGBTZLMICV-CVEARBPZSA-N 1 1 334.416 0.984 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)n2cccn2)CC1 ZINC001010430021 756130040 /nfs/dbraw/zinc/13/00/40/756130040.db2.gz YYOUPTFAQSNUEA-HOTGVXAUSA-N 1 1 343.431 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)n2cccn2)CC1 ZINC001010430021 756130046 /nfs/dbraw/zinc/13/00/46/756130046.db2.gz YYOUPTFAQSNUEA-HOTGVXAUSA-N 1 1 343.431 0.213 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001010453579 756147715 /nfs/dbraw/zinc/14/77/15/756147715.db2.gz DJZSUNQGTWSLMQ-OCCSQVGLSA-N 1 1 330.388 0.378 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001010453579 756147718 /nfs/dbraw/zinc/14/77/18/756147718.db2.gz DJZSUNQGTWSLMQ-OCCSQVGLSA-N 1 1 330.388 0.378 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)[C@@H]2C1 ZINC001076181399 756179942 /nfs/dbraw/zinc/17/99/42/756179942.db2.gz WFMFPBFXXPKDHU-SMDDNHRTSA-N 1 1 325.372 0.833 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001076183185 756181405 /nfs/dbraw/zinc/18/14/05/756181405.db2.gz OKDTWVMNJKBKSO-YWPYICTPSA-N 1 1 347.419 0.230 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001076183185 756181410 /nfs/dbraw/zinc/18/14/10/756181410.db2.gz OKDTWVMNJKBKSO-YWPYICTPSA-N 1 1 347.419 0.230 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001076183380 756182192 /nfs/dbraw/zinc/18/21/92/756182192.db2.gz XCPOVXSYKJGPOK-NSHDSACASA-N 1 1 328.376 0.716 20 30 ECEDMO CCc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)[nH]1 ZINC001051608728 762457490 /nfs/dbraw/zinc/45/74/90/762457490.db2.gz IAPNYZITJJSGDE-TZMCWYRMSA-N 1 1 331.420 0.659 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040352481 756362766 /nfs/dbraw/zinc/36/27/66/756362766.db2.gz WABAKETXHMLQOT-MAUKXSAKSA-N 1 1 335.448 0.067 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1=O ZINC001010667499 756372542 /nfs/dbraw/zinc/37/25/42/756372542.db2.gz HLKQZNMINAYMNJ-AWEZNQCLSA-N 1 1 325.372 0.589 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@@H](C)C#N)C3)C1 ZINC001010678836 756389906 /nfs/dbraw/zinc/38/99/06/756389906.db2.gz AGIAUVLRFVBWDM-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCCN(C(=O)[C@@H](C)C#N)C3)C1 ZINC001010678836 756389911 /nfs/dbraw/zinc/38/99/11/756389911.db2.gz AGIAUVLRFVBWDM-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001076349355 756408701 /nfs/dbraw/zinc/40/87/01/756408701.db2.gz ISDNDWSSEDSNSD-BFHYXJOUSA-N 1 1 327.450 0.129 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000990867011 756421089 /nfs/dbraw/zinc/42/10/89/756421089.db2.gz BUZOHICJKHAVHN-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990868114 756438996 /nfs/dbraw/zinc/43/89/96/756438996.db2.gz IUVDZYMHNJCKIH-INIZCTEOSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC1(F)F ZINC001076387132 756460764 /nfs/dbraw/zinc/46/07/64/756460764.db2.gz UGKFEZCRAWEGOD-AVGNSLFASA-N 1 1 327.375 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC1(F)F ZINC001076387132 756460767 /nfs/dbraw/zinc/46/07/67/756460767.db2.gz UGKFEZCRAWEGOD-AVGNSLFASA-N 1 1 327.375 0.750 20 30 ECEDMO O=C([C@@H]1CCC(=O)N1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076478110 756564960 /nfs/dbraw/zinc/56/49/60/756564960.db2.gz MMWFUFGTQIKQHN-OKZBNKHCSA-N 1 1 337.423 0.849 20 30 ECEDMO O=C([C@@H]1CCC(=O)N1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076478110 756564962 /nfs/dbraw/zinc/56/49/62/756564962.db2.gz MMWFUFGTQIKQHN-OKZBNKHCSA-N 1 1 337.423 0.849 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ccnn3C)C2)nn1 ZINC001098663403 756569837 /nfs/dbraw/zinc/56/98/37/756569837.db2.gz FFJHMPJMSCYMCB-MRXNPFEDSA-N 1 1 343.435 0.693 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001076506594 756576959 /nfs/dbraw/zinc/57/69/59/756576959.db2.gz ZNYCOFUJSNVROV-GJZGRUSLSA-N 1 1 346.431 0.811 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001076507438 756578237 /nfs/dbraw/zinc/57/82/37/756578237.db2.gz GXKLCABWSZPPRR-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076503517 756586741 /nfs/dbraw/zinc/58/67/41/756586741.db2.gz LLKMFHXLTAZAJF-SQWLQELKSA-N 1 1 341.477 0.567 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1c1cnc(C#N)cn1 ZINC001060123909 756617017 /nfs/dbraw/zinc/61/70/17/756617017.db2.gz PXVKQDMYTHVENR-HUUCEWRRSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076590149 756698318 /nfs/dbraw/zinc/69/83/18/756698318.db2.gz YYIJECSTZOJERD-XHSDSOJGSA-N 1 1 334.464 0.047 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4ccc[nH]4)[C@@H]3C2)C1=O ZINC001076596026 756707098 /nfs/dbraw/zinc/70/70/98/756707098.db2.gz WHGJHRRRBBKLBY-USXIJHARSA-N 1 1 342.443 0.877 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001076645942 756776165 /nfs/dbraw/zinc/77/61/65/756776165.db2.gz UHWGUPDKNGPJBS-SDDRHHMPSA-N 1 1 325.796 0.324 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001076645942 756776169 /nfs/dbraw/zinc/77/61/69/756776169.db2.gz UHWGUPDKNGPJBS-SDDRHHMPSA-N 1 1 325.796 0.324 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076687166 756853604 /nfs/dbraw/zinc/85/36/04/756853604.db2.gz IBDUOXNVSJVMMQ-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076687166 756853611 /nfs/dbraw/zinc/85/36/11/756853611.db2.gz IBDUOXNVSJVMMQ-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990930682 756878309 /nfs/dbraw/zinc/87/83/09/756878309.db2.gz CWHCINRREJRJBZ-UHFFFAOYSA-N 1 1 340.387 0.847 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)c[nH]1 ZINC000990929305 756894868 /nfs/dbraw/zinc/89/48/68/756894868.db2.gz QBDNRSWTIGOVEU-HZPDHXFCSA-N 1 1 341.415 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2n[nH]cc2C)CC1 ZINC001011105328 756933546 /nfs/dbraw/zinc/93/35/46/756933546.db2.gz YUKIGJYPIKQLEP-AWEZNQCLSA-N 1 1 329.404 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2n[nH]cc2C)CC1 ZINC001011105328 756933549 /nfs/dbraw/zinc/93/35/49/756933549.db2.gz YUKIGJYPIKQLEP-AWEZNQCLSA-N 1 1 329.404 0.100 20 30 ECEDMO O=C(C#CC1CC1)N1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001011109348 756939237 /nfs/dbraw/zinc/93/92/37/756939237.db2.gz ATWFVPHGAPQCKN-DLBZAZTESA-N 1 1 329.444 0.945 20 30 ECEDMO Cc1noc(C[N@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)n1 ZINC001048773154 756946795 /nfs/dbraw/zinc/94/67/95/756946795.db2.gz PDQQYKNVVZTGMF-BETUJISGSA-N 1 1 326.360 0.782 20 30 ECEDMO Cc1noc(C[N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)n1 ZINC001048773154 756946799 /nfs/dbraw/zinc/94/67/99/756946799.db2.gz PDQQYKNVVZTGMF-BETUJISGSA-N 1 1 326.360 0.782 20 30 ECEDMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)n1 ZINC001048778550 756964776 /nfs/dbraw/zinc/96/47/76/756964776.db2.gz BTYIBZBWHVJEJT-BETUJISGSA-N 1 1 325.376 0.219 20 30 ECEDMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)n1 ZINC001048778550 756964784 /nfs/dbraw/zinc/96/47/84/756964784.db2.gz BTYIBZBWHVJEJT-BETUJISGSA-N 1 1 325.376 0.219 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccn(CC)n2)CC1 ZINC001011131510 756988950 /nfs/dbraw/zinc/98/89/50/756988950.db2.gz PKBHEILATFRUHI-INIZCTEOSA-N 1 1 343.431 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccn(CC)n2)CC1 ZINC001011131510 756988958 /nfs/dbraw/zinc/98/89/58/756988958.db2.gz PKBHEILATFRUHI-INIZCTEOSA-N 1 1 343.431 0.285 20 30 ECEDMO C=CCOCC(=O)NCc1cn(C2C[NH+](C[C@H](CC)OC)C2)nn1 ZINC001107146669 757039869 /nfs/dbraw/zinc/03/98/69/757039869.db2.gz ODWOJWGFBBKQPF-HNNXBMFYSA-N 1 1 337.424 0.379 20 30 ECEDMO Cn1cnc(C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]3C2)n1 ZINC001048804041 757048504 /nfs/dbraw/zinc/04/85/04/757048504.db2.gz WVNMGVVWEPNOOB-IYBDPMFKSA-N 1 1 336.399 0.891 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)nn1 ZINC001011155284 757048856 /nfs/dbraw/zinc/04/88/56/757048856.db2.gz KEUJONQYAPEPOU-CQSZACIVSA-N 1 1 346.435 0.233 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001011158663 757056962 /nfs/dbraw/zinc/05/69/62/757056962.db2.gz CCDRCFPPNRBQLZ-OAHLLOKOSA-N 1 1 326.400 0.299 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C=C(/C)CC)C1 ZINC001048811541 757072029 /nfs/dbraw/zinc/07/20/29/757072029.db2.gz YQVGRTIEGMPBCJ-AMVSTDRPSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C=C(/C)CC)C1 ZINC001048811541 757072037 /nfs/dbraw/zinc/07/20/37/757072037.db2.gz YQVGRTIEGMPBCJ-AMVSTDRPSA-N 1 1 347.459 0.470 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001011160959 757073517 /nfs/dbraw/zinc/07/35/17/757073517.db2.gz YWDUSEFCTFWXFE-AWEZNQCLSA-N 1 1 346.435 0.090 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@@H]2C1 ZINC001048813569 757078818 /nfs/dbraw/zinc/07/88/18/757078818.db2.gz PTVAREPPZWHEEF-SOLBZPMBSA-N 1 1 341.455 0.943 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)c1 ZINC001048821838 757107521 /nfs/dbraw/zinc/10/75/21/757107521.db2.gz FUDSHUDLOBHSKG-IYBDPMFKSA-N 1 1 337.387 0.135 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 ZINC001048842001 757152152 /nfs/dbraw/zinc/15/21/52/757152152.db2.gz QSAXLUSAMRVZEP-TXEJJXNPSA-N 1 1 340.225 0.577 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 ZINC001048842001 757152158 /nfs/dbraw/zinc/15/21/58/757152158.db2.gz QSAXLUSAMRVZEP-TXEJJXNPSA-N 1 1 340.225 0.577 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCc1cn(C2C[NH+](CCCOC)C2)nn1 ZINC001107163966 757198197 /nfs/dbraw/zinc/19/81/97/757198197.db2.gz JVFFWMFTZMGMNP-INIZCTEOSA-N 1 1 337.424 0.115 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001048874281 757254271 /nfs/dbraw/zinc/25/42/71/757254271.db2.gz VVBXEYMYOPBYCK-PMPSAXMXSA-N 1 1 335.448 0.162 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001076812319 757256007 /nfs/dbraw/zinc/25/60/07/757256007.db2.gz CZRRMBOFHBRCIT-IXDOHACOSA-N 1 1 346.406 0.453 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001068464531 790323643 /nfs/dbraw/zinc/32/36/43/790323643.db2.gz POEBIYMFHBABGS-DAXOMENPSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001068464531 790323655 /nfs/dbraw/zinc/32/36/55/790323655.db2.gz POEBIYMFHBABGS-DAXOMENPSA-N 1 1 329.404 0.591 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC000996331999 757395915 /nfs/dbraw/zinc/39/59/15/757395915.db2.gz VTNBAUVCWBXABS-AGIUHOORSA-N 1 1 334.424 0.128 20 30 ECEDMO CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001076856001 757399977 /nfs/dbraw/zinc/39/99/77/757399977.db2.gz WJBPDXUMLDFNPO-NWANDNLSSA-N 1 1 332.404 0.476 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011314272 757488375 /nfs/dbraw/zinc/48/83/75/757488375.db2.gz QYLFCLXUDGCDAJ-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048979001 757588712 /nfs/dbraw/zinc/58/87/12/757588712.db2.gz MAZOIASKSUKRQO-BETUJISGSA-N 1 1 334.420 0.141 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001105900731 762561505 /nfs/dbraw/zinc/56/15/05/762561505.db2.gz ULXYVMPUVWUOCN-AWEZNQCLSA-N 1 1 343.391 0.223 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC001021559569 757600025 /nfs/dbraw/zinc/60/00/25/757600025.db2.gz SKDRSKYNNKIHKP-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000996443530 757614714 /nfs/dbraw/zinc/61/47/14/757614714.db2.gz SVKYJRNZXVRBGN-HNNXBMFYSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000996443530 757614721 /nfs/dbraw/zinc/61/47/21/757614721.db2.gz SVKYJRNZXVRBGN-HNNXBMFYSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001076927990 757625897 /nfs/dbraw/zinc/62/58/97/757625897.db2.gz WCWPNUGXWBGQFF-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)O1 ZINC001021586309 757644954 /nfs/dbraw/zinc/64/49/54/757644954.db2.gz QPLQDVSVUXITIV-XLNGHYISSA-N 1 1 345.443 0.178 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)O1 ZINC001021586309 757644961 /nfs/dbraw/zinc/64/49/61/757644961.db2.gz QPLQDVSVUXITIV-XLNGHYISSA-N 1 1 345.443 0.178 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001021590673 757653672 /nfs/dbraw/zinc/65/36/72/757653672.db2.gz GNTMYASNOFRRDU-LSDHHAIUSA-N 1 1 344.463 0.917 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001021593842 757659008 /nfs/dbraw/zinc/65/90/08/757659008.db2.gz XUVGZRSEXPCURN-ZIAGYGMSSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CCC1(C(=O)NCc2cn(C3C[NH+](C[C@H](C)O)C3)nn2)CCC1 ZINC001107205227 757659039 /nfs/dbraw/zinc/65/90/39/757659039.db2.gz PPPIDFPKVSIQHQ-ZDUSSCGKSA-N 1 1 333.436 0.878 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001049004168 757666703 /nfs/dbraw/zinc/66/67/03/757666703.db2.gz ZFOJRJGIQCLQNV-IRXDYDNUSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021605090 757677812 /nfs/dbraw/zinc/67/78/12/757677812.db2.gz JVFZICVTZMDVEX-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn3c(n2)COCC3)C1 ZINC001021612238 757685249 /nfs/dbraw/zinc/68/52/49/757685249.db2.gz BFVUPJJEWLWQSM-HOCLYGCPSA-N 1 1 328.416 0.973 20 30 ECEDMO C=CCCCN1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)nn2)C1 ZINC001107210855 757697588 /nfs/dbraw/zinc/69/75/88/757697588.db2.gz GJXODYFSEMGRSW-YOEHRIQHSA-N 1 1 346.479 0.915 20 30 ECEDMO C=CCCCN1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)nn2)C1 ZINC001107210855 757697594 /nfs/dbraw/zinc/69/75/94/757697594.db2.gz GJXODYFSEMGRSW-YOEHRIQHSA-N 1 1 346.479 0.915 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(=O)n(C)[nH]4)C[C@@H]3C2)C1 ZINC001049044667 757770893 /nfs/dbraw/zinc/77/08/93/757770893.db2.gz KMSOYVMWUMSNLI-BETUJISGSA-N 1 1 331.420 0.355 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(=O)n(C)[nH]4)C[C@@H]3C2)C1 ZINC001049044667 757770901 /nfs/dbraw/zinc/77/09/01/757770901.db2.gz KMSOYVMWUMSNLI-BETUJISGSA-N 1 1 331.420 0.355 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)COC3CCOCC3)nn2)C1 ZINC001107216216 757797850 /nfs/dbraw/zinc/79/78/50/757797850.db2.gz YUXYGTCJZMFPDA-UHFFFAOYSA-N 1 1 349.435 0.523 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cn(C2C[NH+](C(C)C)C2)nn1 ZINC001107216117 757798549 /nfs/dbraw/zinc/79/85/49/757798549.db2.gz VCUDEFKXQRPFBN-MRXNPFEDSA-N 1 1 348.451 0.630 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021712307 757847846 /nfs/dbraw/zinc/84/78/46/757847846.db2.gz IKGVBPSIKKUELA-CABCVRRESA-N 1 1 346.431 0.265 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001076986562 757850892 /nfs/dbraw/zinc/85/08/92/757850892.db2.gz DFPXTNIIQOEJQG-AAEUAGOBSA-N 1 1 347.419 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001076986562 757850897 /nfs/dbraw/zinc/85/08/97/757850897.db2.gz DFPXTNIIQOEJQG-AAEUAGOBSA-N 1 1 347.419 0.146 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021714407 757852231 /nfs/dbraw/zinc/85/22/31/757852231.db2.gz XCGBECOCAWEVQN-LSDHHAIUSA-N 1 1 346.431 0.217 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021714934 757852814 /nfs/dbraw/zinc/85/28/14/757852814.db2.gz YVCWYFBUCNCJKY-LSDHHAIUSA-N 1 1 346.431 0.217 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021724521 757865071 /nfs/dbraw/zinc/86/50/71/757865071.db2.gz MISPYMRXKMWHOO-HOTGVXAUSA-N 1 1 347.463 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@@H]2C1 ZINC001049068658 757869806 /nfs/dbraw/zinc/86/98/06/757869806.db2.gz YICRTXLTHFKSEY-CLWVCHIJSA-N 1 1 331.420 0.296 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@H]2C1 ZINC001049068658 757869813 /nfs/dbraw/zinc/86/98/13/757869813.db2.gz YICRTXLTHFKSEY-CLWVCHIJSA-N 1 1 331.420 0.296 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2-c2cnn(C)c2)CC1(C)C ZINC000996500316 757871677 /nfs/dbraw/zinc/87/16/77/757871677.db2.gz GWVZSLSKOVUSNP-CQSZACIVSA-N 1 1 326.404 0.884 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021732234 757878408 /nfs/dbraw/zinc/87/84/08/757878408.db2.gz CYZPMJUOGCKESW-HIFRSBDPSA-N 1 1 346.431 0.989 20 30 ECEDMO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001077000848 757883597 /nfs/dbraw/zinc/88/35/97/757883597.db2.gz SSDJQRXWPNMPJQ-KBAYOESNSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001077000848 757883611 /nfs/dbraw/zinc/88/36/11/757883611.db2.gz SSDJQRXWPNMPJQ-KBAYOESNSA-N 1 1 333.476 0.826 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC001021817097 757948346 /nfs/dbraw/zinc/94/83/46/757948346.db2.gz PADSYUCWXMNRIE-BBWFWOEESA-N 1 1 345.443 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC001021817097 757948350 /nfs/dbraw/zinc/94/83/50/757948350.db2.gz PADSYUCWXMNRIE-BBWFWOEESA-N 1 1 345.443 0.180 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@H]2C1 ZINC001049113537 757997473 /nfs/dbraw/zinc/99/74/73/757997473.db2.gz OOBKFBSVZGMDSO-LZWOXQAQSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001077072990 758093522 /nfs/dbraw/zinc/09/35/22/758093522.db2.gz KNCMQSRHJMNEBK-HZPDHXFCSA-N 1 1 342.399 0.664 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001049145680 758121248 /nfs/dbraw/zinc/12/12/48/758121248.db2.gz YDCNFLXUVXQYRZ-GJZGRUSLSA-N 1 1 325.453 0.715 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4nocc4C)C[C@H]3C2)C1=O ZINC001049157496 758162005 /nfs/dbraw/zinc/16/20/05/758162005.db2.gz SIODJDCQNGAZEJ-ZNMIVQPWSA-N 1 1 344.415 0.774 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(C)n[nH]3)CCC[C@@H]12 ZINC001107299758 758201582 /nfs/dbraw/zinc/20/15/82/758201582.db2.gz GSKQZHJUEOQLLF-CRAIPNDOSA-N 1 1 343.431 0.442 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001049172115 758213360 /nfs/dbraw/zinc/21/33/60/758213360.db2.gz OUBNTYUKDBLWFR-WCVJEAGWSA-N 1 1 337.464 0.713 20 30 ECEDMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001049179943 758239464 /nfs/dbraw/zinc/23/94/64/758239464.db2.gz PDFGQDVPYKTHCU-KSZLIROESA-N 1 1 337.423 0.707 20 30 ECEDMO Cc1ncc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)[nH]1 ZINC001107327768 758295434 /nfs/dbraw/zinc/29/54/34/758295434.db2.gz GNMIUZLFWWHATI-RHSMWYFYSA-N 1 1 344.419 0.332 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001077147481 758343137 /nfs/dbraw/zinc/34/31/37/758343137.db2.gz QQVPKJZEJZAALS-GVDBMIGSSA-N 1 1 343.427 0.641 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CCc3nnc[nH]3)CCC[C@@H]12 ZINC001107354014 758349618 /nfs/dbraw/zinc/34/96/18/758349618.db2.gz SDYHCUIGNSEWMU-CRAIPNDOSA-N 1 1 345.447 0.748 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3nc[nH]n3)CCC[C@@H]12 ZINC001107354014 758349622 /nfs/dbraw/zinc/34/96/22/758349622.db2.gz SDYHCUIGNSEWMU-CRAIPNDOSA-N 1 1 345.447 0.748 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CCc3nc[nH]n3)CCC[C@@H]12 ZINC001107354014 758349634 /nfs/dbraw/zinc/34/96/34/758349634.db2.gz SDYHCUIGNSEWMU-CRAIPNDOSA-N 1 1 345.447 0.748 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1O ZINC001077158800 758374859 /nfs/dbraw/zinc/37/48/59/758374859.db2.gz ZGQXVOKKAUAUJP-FGTMMUONSA-N 1 1 342.443 0.149 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1O ZINC001077158800 758374866 /nfs/dbraw/zinc/37/48/66/758374866.db2.gz ZGQXVOKKAUAUJP-FGTMMUONSA-N 1 1 342.443 0.149 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1O ZINC001077159288 758377147 /nfs/dbraw/zinc/37/71/47/758377147.db2.gz XHRVUBZFGYYZSE-IXDOHACOSA-N 1 1 347.484 0.815 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2csc(C)c2)C[C@H]1O ZINC001077159288 758377155 /nfs/dbraw/zinc/37/71/55/758377155.db2.gz XHRVUBZFGYYZSE-IXDOHACOSA-N 1 1 347.484 0.815 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)COc3cccc(C(N)=O)c3)C[C@H]2C1 ZINC001049231096 758388984 /nfs/dbraw/zinc/38/89/84/758388984.db2.gz MENYNJPMJFPCRF-GASCZTMLSA-N 1 1 329.400 0.741 20 30 ECEDMO C#CCCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107372924 758396390 /nfs/dbraw/zinc/39/63/90/758396390.db2.gz XNORTMLGPSSDSR-RDTXWAMCSA-N 1 1 348.447 0.736 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](C)OC)CC2 ZINC001107374118 758400379 /nfs/dbraw/zinc/40/03/79/758400379.db2.gz KTUDRWKBHCDFLO-HDMKZQKVSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107374056 758400441 /nfs/dbraw/zinc/40/04/41/758400441.db2.gz IBKOUUGBPUDQGK-VQIMIIECSA-N 1 1 345.443 0.137 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107377631 758406169 /nfs/dbraw/zinc/40/61/69/758406169.db2.gz WNAUYSLHTGHDAT-ZTFGCOKTSA-N 1 1 348.447 0.314 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3COCCN3C)CCC[C@@H]12 ZINC001107367505 758409234 /nfs/dbraw/zinc/40/92/34/758409234.db2.gz DMJOJGCKBLLVLC-ZHALLVOQSA-N 1 1 349.475 0.328 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cn(C)nn3)CCC[C@@H]12 ZINC001107388913 758415252 /nfs/dbraw/zinc/41/52/52/758415252.db2.gz BRWFSHYHBSGKFG-RHSMWYFYSA-N 1 1 346.435 0.092 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccns3)CCC[C@@H]12 ZINC001107424246 758553756 /nfs/dbraw/zinc/55/37/56/758553756.db2.gz DKNNFCXDUQXHGW-RHSMWYFYSA-N 1 1 346.456 0.867 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)CCO3)[C@@H](O)C1 ZINC001083568978 758558514 /nfs/dbraw/zinc/55/85/14/758558514.db2.gz WBAQJQYSRDFPGW-ZBFHGGJFSA-N 1 1 329.400 0.313 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCNS(C)(=O)=O)CCC[C@@H]12 ZINC001107430022 758571592 /nfs/dbraw/zinc/57/15/92/758571592.db2.gz WHRZNMCRYBOSGE-GDBMZVCRSA-N 1 1 343.493 0.863 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCNC3=O)CCC[C@@H]12 ZINC001107441315 758573521 /nfs/dbraw/zinc/57/35/21/758573521.db2.gz QSXFVTBWZWXMNY-FRQCXROJSA-N 1 1 347.459 0.523 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(c4ccc(C#N)nn4)C[C@H]3C2)C1 ZINC001049384307 758607407 /nfs/dbraw/zinc/60/74/07/758607407.db2.gz NCMAXUKDRREOBZ-KFWWJZLASA-N 1 1 340.431 0.585 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001077256414 758614141 /nfs/dbraw/zinc/61/41/41/758614141.db2.gz NSRDNHZXPKBAPQ-BBWFWOEESA-N 1 1 348.491 0.579 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)c3[nH]nc4c3CCC4)C2)C1=O ZINC001022355618 758616127 /nfs/dbraw/zinc/61/61/27/758616127.db2.gz TZORNQYYFWRYGI-ZOWXZIJZSA-N 1 1 343.431 0.536 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12 ZINC001107457845 758620259 /nfs/dbraw/zinc/62/02/59/758620259.db2.gz SAEQZUOBVALKLX-VQIMIIECSA-N 1 1 346.475 0.145 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)C1 ZINC001107466056 758623959 /nfs/dbraw/zinc/62/39/59/758623959.db2.gz UQRPXGYUDCGPRP-NHZBNJEXSA-N 1 1 344.419 0.542 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cncn3C)CCC[C@@H]12 ZINC001107464276 758644077 /nfs/dbraw/zinc/64/40/77/758644077.db2.gz QORZXFXHIAGIHA-CRAIPNDOSA-N 1 1 345.447 0.697 20 30 ECEDMO N#Cc1ccc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(F)c1 ZINC001127779261 758644266 /nfs/dbraw/zinc/64/42/66/758644266.db2.gz KIJQQJDJOKYFJS-DOTOQJQBSA-N 1 1 346.406 0.766 20 30 ECEDMO N#Cc1ccc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)c(F)c1 ZINC001127779261 758644270 /nfs/dbraw/zinc/64/42/70/758644270.db2.gz KIJQQJDJOKYFJS-DOTOQJQBSA-N 1 1 346.406 0.766 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)C1 ZINC001077266742 758644249 /nfs/dbraw/zinc/64/42/49/758644249.db2.gz GEFVIGGDJJWSLQ-VXGBXAGGSA-N 1 1 331.397 0.388 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)C1 ZINC001077266742 758644255 /nfs/dbraw/zinc/64/42/55/758644255.db2.gz GEFVIGGDJJWSLQ-VXGBXAGGSA-N 1 1 331.397 0.388 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCn2cncn2)c[nH]1 ZINC001049431061 758682572 /nfs/dbraw/zinc/68/25/72/758682572.db2.gz LNIJDQXBUSUVEU-HZPDHXFCSA-N 1 1 339.403 0.857 20 30 ECEDMO N#Cc1nccc(N2CC=C(CNC(=O)CCc3cnc[nH]3)CC2)n1 ZINC001127782387 758706970 /nfs/dbraw/zinc/70/69/70/758706970.db2.gz UZTAMSSLOGMYBD-UHFFFAOYSA-N 1 1 337.387 0.957 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001049449622 758721759 /nfs/dbraw/zinc/72/17/59/758721759.db2.gz IBWLOOTVBSUXEV-MPGHIAIKSA-N 1 1 348.447 0.824 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)N1CCOCC1 ZINC001049468929 758766269 /nfs/dbraw/zinc/76/62/69/758766269.db2.gz YRYUXLRTAPXCLN-DLBZAZTESA-N 1 1 345.443 0.324 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)N1CCOCC1 ZINC001049468929 758766276 /nfs/dbraw/zinc/76/62/76/758766276.db2.gz YRYUXLRTAPXCLN-DLBZAZTESA-N 1 1 345.443 0.324 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)NC ZINC001049476769 758782401 /nfs/dbraw/zinc/78/24/01/758782401.db2.gz BPMGUZRIKZEHNU-FPCVCCKLSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)NC ZINC001049476769 758782405 /nfs/dbraw/zinc/78/24/05/758782405.db2.gz BPMGUZRIKZEHNU-FPCVCCKLSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001049504728 758818543 /nfs/dbraw/zinc/81/85/43/758818543.db2.gz INGOVUAJHMXSQA-BZUAXINKSA-N 1 1 335.448 0.733 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049507207 758823145 /nfs/dbraw/zinc/82/31/45/758823145.db2.gz DVDGFGOLZNUHIV-GJZGRUSLSA-N 1 1 339.461 0.111 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)n(C)c1=O ZINC001049507407 758824325 /nfs/dbraw/zinc/82/43/25/758824325.db2.gz IFYQPILRGXOOKF-LSDHHAIUSA-N 1 1 346.431 0.188 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](Cn1cccn1)N(C)C ZINC001049517307 758842015 /nfs/dbraw/zinc/84/20/15/758842015.db2.gz IKLIRQQRSIKXNL-KURKYZTESA-N 1 1 343.475 0.902 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](Cn1cccn1)N(C)C ZINC001049518596 758846425 /nfs/dbraw/zinc/84/64/25/758846425.db2.gz UVMSXTXQLQDXCI-KSZLIROESA-N 1 1 343.475 0.902 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cccc(Cl)c23)C1 ZINC001077352187 758886891 /nfs/dbraw/zinc/88/68/91/758886891.db2.gz IWPKZDUSYFDTIN-ZIAGYGMSSA-N 1 1 332.791 0.786 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001049541689 758896609 /nfs/dbraw/zinc/89/66/09/758896609.db2.gz CLKIJRVHQASDDI-HOTGVXAUSA-N 1 1 337.464 0.552 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001022569404 758897658 /nfs/dbraw/zinc/89/76/58/758897658.db2.gz KEBXKYQPIZXNLU-SLEUVZQESA-N 1 1 345.403 0.569 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049551102 758912172 /nfs/dbraw/zinc/91/21/72/758912172.db2.gz DVTBNYXRIUDJIG-DLBZAZTESA-N 1 1 340.427 0.812 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001049560918 758923686 /nfs/dbraw/zinc/92/36/86/758923686.db2.gz ZBUICCTWOIFOBN-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCCCS1(=O)=O ZINC001049594639 758973279 /nfs/dbraw/zinc/97/32/79/758973279.db2.gz LLQPMHOXMJQSPM-HUUCEWRRSA-N 1 1 341.477 0.663 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049596932 758976704 /nfs/dbraw/zinc/97/67/04/758976704.db2.gz XSOHZIUNBZCBLO-VQHPVUNQSA-N 1 1 347.459 0.888 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049621369 759003762 /nfs/dbraw/zinc/00/37/62/759003762.db2.gz MFWOHPVLLLHXQA-XWTMOSNGSA-N 1 1 347.459 0.711 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C#CC3CC3)C2)nn1 ZINC001098669820 759063200 /nfs/dbraw/zinc/06/32/00/759063200.db2.gz YKCXNYDJRWQKTR-KRWDZBQOSA-N 1 1 343.431 0.757 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001022834163 759155120 /nfs/dbraw/zinc/15/51/20/759155120.db2.gz GEXKGBIPYNFVJJ-XRGAULLZSA-N 1 1 333.436 0.923 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001105913993 762694828 /nfs/dbraw/zinc/69/48/28/762694828.db2.gz MTNBYARNCYDBQY-DZGCQCFKSA-N 1 1 331.420 0.493 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2nc[nH]n2)C1=O ZINC001049798842 759224921 /nfs/dbraw/zinc/22/49/21/759224921.db2.gz QXDONCGSHNPWSI-MJBXVCDLSA-N 1 1 344.419 0.271 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2nc[nH]n2)C1=O ZINC001049798842 759224926 /nfs/dbraw/zinc/22/49/26/759224926.db2.gz QXDONCGSHNPWSI-MJBXVCDLSA-N 1 1 344.419 0.271 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049812042 759243477 /nfs/dbraw/zinc/24/34/77/759243477.db2.gz OGOOPVWEMRUAHV-ZIAGYGMSSA-N 1 1 330.388 0.437 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c(C)cc(C)nc1=O ZINC001049813595 759245163 /nfs/dbraw/zinc/24/51/63/759245163.db2.gz GPTJLNOOYDPKII-IRXDYDNUSA-N 1 1 342.443 0.949 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001049839811 759280457 /nfs/dbraw/zinc/28/04/57/759280457.db2.gz DIXSASVAELSBAZ-UONOGXRCSA-N 1 1 344.415 0.811 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001049839811 759280464 /nfs/dbraw/zinc/28/04/64/759280464.db2.gz DIXSASVAELSBAZ-UONOGXRCSA-N 1 1 344.415 0.811 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccn2c(=O)[nH]nc12 ZINC001049839994 759280694 /nfs/dbraw/zinc/28/06/94/759280694.db2.gz LILHZUULYPISEH-KBPBESRZSA-N 1 1 325.372 0.747 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049842742 759287677 /nfs/dbraw/zinc/28/76/77/759287677.db2.gz XUQSEVLNOVRCTM-WDEREUQCSA-N 1 1 334.376 0.761 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nc(C)ccc1=O ZINC001049852942 759304081 /nfs/dbraw/zinc/30/40/81/759304081.db2.gz BCXJZYDHFBSTFV-JKSUJKDBSA-N 1 1 328.416 0.640 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049869787 759322169 /nfs/dbraw/zinc/32/21/69/759322169.db2.gz FPLQIVONHRQMDG-ZIAGYGMSSA-N 1 1 346.431 0.405 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C(=O)NC)n1 ZINC001049875355 759332001 /nfs/dbraw/zinc/33/20/01/759332001.db2.gz IWCAKSYGQHEQBN-JKSUJKDBSA-N 1 1 326.400 0.753 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCN(C(N)=O)CC1 ZINC001049883127 759342333 /nfs/dbraw/zinc/34/23/33/759342333.db2.gz HJJQTZQSQKROHL-JKSUJKDBSA-N 1 1 332.448 0.866 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001047636954 759368269 /nfs/dbraw/zinc/36/82/69/759368269.db2.gz RVXMOMDTKXJPNZ-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001047640806 759384583 /nfs/dbraw/zinc/38/45/83/759384583.db2.gz HGTXLAGGKIWSJO-KBPBESRZSA-N 1 1 329.356 0.674 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001047640806 759384592 /nfs/dbraw/zinc/38/45/92/759384592.db2.gz HGTXLAGGKIWSJO-KBPBESRZSA-N 1 1 329.356 0.674 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)COc1cccc(C(N)=O)c1 ZINC001049906950 759391055 /nfs/dbraw/zinc/39/10/55/759391055.db2.gz AZMILTQXLUHIFM-DLBZAZTESA-N 1 1 341.411 0.863 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(NC(C)=O)ccc2F)C1 ZINC001047644210 759392889 /nfs/dbraw/zinc/39/28/89/759392889.db2.gz COOFFCFURBQDIM-IRXDYDNUSA-N 1 1 347.390 0.925 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(NC(C)=O)ccc2F)C1 ZINC001047644210 759392902 /nfs/dbraw/zinc/39/29/02/759392902.db2.gz COOFFCFURBQDIM-IRXDYDNUSA-N 1 1 347.390 0.925 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)c(NC(C)=O)c2)C1 ZINC001047644720 759394951 /nfs/dbraw/zinc/39/49/51/759394951.db2.gz PMMJTJOXSVCDCC-HOTGVXAUSA-N 1 1 333.363 0.534 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)c(NC(C)=O)c2)C1 ZINC001047644720 759394961 /nfs/dbraw/zinc/39/49/61/759394961.db2.gz PMMJTJOXSVCDCC-HOTGVXAUSA-N 1 1 333.363 0.534 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2c3ccccc3NC2=O)C1 ZINC001047645543 759395637 /nfs/dbraw/zinc/39/56/37/759395637.db2.gz XJTLZZPFEOCDMC-BPUTZDHNSA-N 1 1 327.384 0.249 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2c3ccccc3NC2=O)C1 ZINC001047645543 759395649 /nfs/dbraw/zinc/39/56/49/759395649.db2.gz XJTLZZPFEOCDMC-BPUTZDHNSA-N 1 1 327.384 0.249 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001047648790 759406604 /nfs/dbraw/zinc/40/66/04/759406604.db2.gz CWHHCZQQAKIUQF-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001054242935 767858083 /nfs/dbraw/zinc/85/80/83/767858083.db2.gz UCMAILRJEHVQLD-WMZOPIPTSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001077429491 759476389 /nfs/dbraw/zinc/47/63/89/759476389.db2.gz VCCGRUPWQYMBQQ-HUUCEWRRSA-N 1 1 345.403 0.661 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001050003680 759534776 /nfs/dbraw/zinc/53/47/76/759534776.db2.gz NULDYMZBBLFMGC-WDEREUQCSA-N 1 1 330.226 0.693 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C(N)=O)nc1)C2 ZINC001054248248 767863786 /nfs/dbraw/zinc/86/37/86/767863786.db2.gz OZNFLFCYLWNNPD-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001050003680 759534779 /nfs/dbraw/zinc/53/47/79/759534779.db2.gz NULDYMZBBLFMGC-WDEREUQCSA-N 1 1 330.226 0.693 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@@H](C)OC)[C@@H]3C2)C1=O ZINC001049988638 759502494 /nfs/dbraw/zinc/50/24/94/759502494.db2.gz VLYCLYUGZRHCCP-QKPAOTATSA-N 1 1 335.448 0.731 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(N)=O)C2 ZINC001054249444 767866939 /nfs/dbraw/zinc/86/69/39/767866939.db2.gz WKOSAQWLUXDLII-MAUKXSAKSA-N 1 1 332.448 0.867 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001054249759 767867083 /nfs/dbraw/zinc/86/70/83/767867083.db2.gz CWEOJKQCZPBUIW-KSSFIOAISA-N 1 1 331.416 0.377 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(OC2C[NH+](C[C@H](C)O)C2)CC1 ZINC001105705700 759549398 /nfs/dbraw/zinc/54/93/98/759549398.db2.gz KEEXVKTUXJXKFE-SUMWQHHRSA-N 1 1 326.437 0.386 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)c[nH]1 ZINC001050025629 759565250 /nfs/dbraw/zinc/56/52/50/759565250.db2.gz CLNYHOPDRZKMFN-NILFDRSVSA-N 1 1 327.388 0.311 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC001050076967 759663703 /nfs/dbraw/zinc/66/37/03/759663703.db2.gz LGNZEHJIMRTHDF-GOEBONIOSA-N 1 1 326.400 0.279 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC001050081934 759670319 /nfs/dbraw/zinc/67/03/19/759670319.db2.gz YMORFCNDYSLURS-WCQYABFASA-N 1 1 337.401 0.097 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(C(N)=O)cn3C)[C@@H]2C1 ZINC001050087848 759681495 /nfs/dbraw/zinc/68/14/95/759681495.db2.gz OEMFKBJOKYRELL-XJKSGUPXSA-N 1 1 328.416 0.684 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089436 759684590 /nfs/dbraw/zinc/68/45/90/759684590.db2.gz HEZILHRPXIQAIR-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089436 759684595 /nfs/dbraw/zinc/68/45/95/759684595.db2.gz HEZILHRPXIQAIR-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125110842 759704021 /nfs/dbraw/zinc/70/40/21/759704021.db2.gz MGALWKNTHPHSCV-CABCVRRESA-N 1 1 331.420 0.160 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CN(C(=O)c3ccn[nH]3)CC2(C)C)C1=O ZINC000995525987 759706855 /nfs/dbraw/zinc/70/68/55/759706855.db2.gz NNNNTPWRGAABTP-OCCSQVGLSA-N 1 1 331.420 0.637 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1 ZINC001050103308 759707918 /nfs/dbraw/zinc/70/79/18/759707918.db2.gz FOSKLFMQQFXGPL-NNPSNHGLSA-N 1 1 332.444 0.984 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC001050127127 759761990 /nfs/dbraw/zinc/76/19/90/759761990.db2.gz LURXNAZJKOFHFA-JKIFEVAISA-N 1 1 327.432 0.476 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(-n4cnnn4)cc3)[C@@H]2C1 ZINC001050197353 759918385 /nfs/dbraw/zinc/91/83/85/759918385.db2.gz MNBRONCXPDGXSJ-DOTOQJQBSA-N 1 1 336.399 0.832 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001050223689 759973090 /nfs/dbraw/zinc/97/30/90/759973090.db2.gz GTWGFOLFDRHZLQ-GJZGRUSLSA-N 1 1 345.447 0.947 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+][C@H](C)c1nnnn1C1CCCCC1 ZINC001127031531 760019930 /nfs/dbraw/zinc/01/99/30/760019930.db2.gz GYVGERZSDKGFAL-CQSZACIVSA-N 1 1 348.451 0.985 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001050296922 760078268 /nfs/dbraw/zinc/07/82/68/760078268.db2.gz JTESYSWTFQWOBR-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)[C@@H]2C)C1 ZINC001050346313 760157227 /nfs/dbraw/zinc/15/72/27/760157227.db2.gz DHAQMGCUZRYJNE-IPYPFGDCSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)[C@@H]2C)C1 ZINC001050346313 760157229 /nfs/dbraw/zinc/15/72/29/760157229.db2.gz DHAQMGCUZRYJNE-IPYPFGDCSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC001127046139 760455443 /nfs/dbraw/zinc/45/54/43/760455443.db2.gz MPBZYSCCTODOSC-AWEZNQCLSA-N 1 1 341.415 0.726 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001127051971 760486072 /nfs/dbraw/zinc/48/60/72/760486072.db2.gz OLYMJIDYNIBLKJ-AWEZNQCLSA-N 1 1 327.388 0.511 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(-c2occc2C)o1 ZINC001127051764 760486206 /nfs/dbraw/zinc/48/62/06/760486206.db2.gz MIDORKSRIGMHSW-LBPRGKRZSA-N 1 1 332.360 0.882 20 30 ECEDMO C=CCN1CC[C@@H](N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001017419100 767957956 /nfs/dbraw/zinc/95/79/56/767957956.db2.gz NHIOWSSQCLOLFN-YYIAUSFCSA-N 1 1 346.475 0.543 20 30 ECEDMO C#CCNC(=O)CC(=O)NC/C=C/CNc1cc(CC)[nH+]c(C)n1 ZINC001107130793 760532045 /nfs/dbraw/zinc/53/20/45/760532045.db2.gz XOCANBAKHAAHOT-VOTSOKGWSA-N 1 1 329.404 0.571 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@H]12 ZINC000991383457 760612940 /nfs/dbraw/zinc/61/29/40/760612940.db2.gz HZFPYDVBBWCQDJ-MAUKXSAKSA-N 1 1 326.400 0.469 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)[nH]1 ZINC001048516003 760646304 /nfs/dbraw/zinc/64/63/04/760646304.db2.gz CCFRLMOYJYHICD-UZMCECQYSA-N 1 1 341.415 0.748 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)CC1 ZINC001050684224 760663558 /nfs/dbraw/zinc/66/35/58/760663558.db2.gz FXWTYVNXIDIPPW-OAHLLOKOSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@@H]1O ZINC001048527703 760665167 /nfs/dbraw/zinc/66/51/67/760665167.db2.gz NPGGKLMURXVISS-STQMWFEESA-N 1 1 334.420 0.684 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001048561594 760720103 /nfs/dbraw/zinc/72/01/03/760720103.db2.gz FBNCPQVUXLOLHY-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C=C(Br)CN1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001050839822 760971151 /nfs/dbraw/zinc/97/11/51/760971151.db2.gz YWTWELZLLSCVJO-QWHCGFSZSA-N 1 1 346.269 0.806 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC4N=NC(=O)N4C3)CCC[C@@H]12 ZINC000991445303 760975271 /nfs/dbraw/zinc/97/52/71/760975271.db2.gz HNFWSMFAWFXPEX-HBUWYVDXSA-N 1 1 343.431 0.683 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ncoc4C)C[C@H]3C2)C1=O ZINC001048710641 760994864 /nfs/dbraw/zinc/99/48/64/760994864.db2.gz KJWKUXUGNBZFEF-QLFBSQMISA-N 1 1 344.415 0.774 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC4N=NC(=O)N4C3)CCC[C@H]12 ZINC000991451275 760998749 /nfs/dbraw/zinc/99/87/49/760998749.db2.gz ZBENGIBWMVTJIJ-IIYDPXPESA-N 1 1 329.404 0.293 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C)c(C)n2)C1 ZINC000996064663 760999640 /nfs/dbraw/zinc/99/96/40/760999640.db2.gz KPYMPJXUECRRIG-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C)c(C)n2)C1 ZINC000996064663 760999645 /nfs/dbraw/zinc/99/96/45/760999645.db2.gz KPYMPJXUECRRIG-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048757498 761122759 /nfs/dbraw/zinc/12/27/59/761122759.db2.gz GTESPZDCDLCVOW-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000991481067 761147178 /nfs/dbraw/zinc/14/71/78/761147178.db2.gz WJWNMPMWSXXRHG-OAHLLOKOSA-N 1 1 329.404 0.700 20 30 ECEDMO C=C(C)CCN1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001050984811 761275717 /nfs/dbraw/zinc/27/57/17/761275717.db2.gz BYXDMNUTRSSKIN-BZUAXINKSA-N 1 1 325.453 0.489 20 30 ECEDMO C=C(C)CCN1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001050984811 761275720 /nfs/dbraw/zinc/27/57/20/761275720.db2.gz BYXDMNUTRSSKIN-BZUAXINKSA-N 1 1 325.453 0.489 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1OC ZINC001212149770 761313245 /nfs/dbraw/zinc/31/32/45/761313245.db2.gz FNWHFZSZISRGGM-HUUCEWRRSA-N 1 1 349.456 0.511 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1OC ZINC001212149997 761319038 /nfs/dbraw/zinc/31/90/38/761319038.db2.gz MOZWAKVIVDBFFB-IAGOWNOFSA-N 1 1 343.427 0.450 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1c1nccnc1C#N ZINC001051027571 761359655 /nfs/dbraw/zinc/35/96/55/761359655.db2.gz WUTKLHMIRDCUNN-MJBXVCDLSA-N 1 1 328.420 0.916 20 30 ECEDMO C=CCCOCC(=O)N1CCC(OC2C[NH+](C[C@@H](C)O)C2)CC1 ZINC001105735855 761419244 /nfs/dbraw/zinc/41/92/44/761419244.db2.gz BUURZJLGIKFHGS-CQSZACIVSA-N 1 1 326.437 0.652 20 30 ECEDMO C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082026 761455603 /nfs/dbraw/zinc/45/56/03/761455603.db2.gz QIMQPBMFFOIFJZ-HUUCEWRRSA-N 1 1 345.871 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C ZINC001051195845 761665682 /nfs/dbraw/zinc/66/56/82/761665682.db2.gz DYGWIBWHDXHDLU-ILXRZTDVSA-N 1 1 338.415 0.529 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C ZINC001051195845 761665683 /nfs/dbraw/zinc/66/56/83/761665683.db2.gz DYGWIBWHDXHDLU-ILXRZTDVSA-N 1 1 338.415 0.529 20 30 ECEDMO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCNC3=O)cccc2C1 ZINC001051296948 761845650 /nfs/dbraw/zinc/84/56/50/761845650.db2.gz FQAVQIYBUIEAKK-QGZVFWFLSA-N 1 1 325.412 0.820 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCN(C(N)=O)C3)CCC[C@@H]12 ZINC000991704447 762846926 /nfs/dbraw/zinc/84/69/26/762846926.db2.gz BNSNFAZPAMILOU-IIDMSEBBSA-N 1 1 332.448 0.914 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051752050 762877975 /nfs/dbraw/zinc/87/79/75/762877975.db2.gz CFEMXULARNKJNM-GFCCVEGCSA-N 1 1 337.424 0.028 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001051757231 762889816 /nfs/dbraw/zinc/88/98/16/762889816.db2.gz ZTAADAVUBDDPNE-ZDUSSCGKSA-N 1 1 349.435 0.338 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1C ZINC001105946455 762998106 /nfs/dbraw/zinc/99/81/06/762998106.db2.gz UMGOUDZWBUZARQ-YRGRVCCFSA-N 1 1 331.420 0.154 20 30 ECEDMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014709563 763022854 /nfs/dbraw/zinc/02/28/54/763022854.db2.gz BODCQRDZNYZFCS-DOTOQJQBSA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014709563 763022856 /nfs/dbraw/zinc/02/28/56/763022856.db2.gz BODCQRDZNYZFCS-DOTOQJQBSA-N 1 1 343.402 0.894 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)c1 ZINC001014709791 763023180 /nfs/dbraw/zinc/02/31/80/763023180.db2.gz DCOCBYWAWOUFRV-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014709583 763023389 /nfs/dbraw/zinc/02/33/89/763023389.db2.gz BRMGBKZWRZXUQY-DLBZAZTESA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014709583 763023393 /nfs/dbraw/zinc/02/33/93/763023393.db2.gz BRMGBKZWRZXUQY-DLBZAZTESA-N 1 1 325.412 0.755 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001046778040 763111445 /nfs/dbraw/zinc/11/14/45/763111445.db2.gz AEQGVTCJACROLC-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001046778040 763111449 /nfs/dbraw/zinc/11/14/49/763111449.db2.gz AEQGVTCJACROLC-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC001046779157 763113520 /nfs/dbraw/zinc/11/35/20/763113520.db2.gz PYYQIEWASSSCLR-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001046780794 763116106 /nfs/dbraw/zinc/11/61/06/763116106.db2.gz ADQUSQVHQKZRKH-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001046780794 763116111 /nfs/dbraw/zinc/11/61/11/763116111.db2.gz ADQUSQVHQKZRKH-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nccc(C)n2)C1 ZINC001014770560 763127367 /nfs/dbraw/zinc/12/73/67/763127367.db2.gz SAMFBSYTMMQAHL-HOTGVXAUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nccc(C)n2)C1 ZINC001014770560 763127371 /nfs/dbraw/zinc/12/73/71/763127371.db2.gz SAMFBSYTMMQAHL-HOTGVXAUSA-N 1 1 327.432 0.573 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nocc3C)C2)nn1 ZINC001051860672 763136007 /nfs/dbraw/zinc/13/60/07/763136007.db2.gz OSPSZVIJPGHICC-ZDUSSCGKSA-N 1 1 346.391 0.391 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001105973148 763138511 /nfs/dbraw/zinc/13/85/11/763138511.db2.gz VBVLYXUTDPDUQX-HOCLYGCPSA-N 1 1 331.420 0.137 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c(C)nc[nH]c2=O)C1 ZINC001089850956 763172051 /nfs/dbraw/zinc/17/20/51/763172051.db2.gz RRTCYGURQDBZLJ-AJNGGQMLSA-N 1 1 326.400 0.906 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001046829910 763188560 /nfs/dbraw/zinc/18/85/60/763188560.db2.gz NWMVEUQYFNURGM-UMVBOHGHSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001046829910 763188561 /nfs/dbraw/zinc/18/85/61/763188561.db2.gz NWMVEUQYFNURGM-UMVBOHGHSA-N 1 1 344.419 0.376 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C(F)F)C[C@H](C)O2 ZINC001111531703 763194918 /nfs/dbraw/zinc/19/49/18/763194918.db2.gz HIUQDIMOGGPIAX-LBPRGKRZSA-N 1 1 345.390 0.636 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COc1cnn(C)c1 ZINC001089853631 763195648 /nfs/dbraw/zinc/19/56/48/763195648.db2.gz WPLLKTBXQGFNMF-SVGFKBNWSA-N 1 1 328.416 0.601 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NCC2=CCN(c3nccnc3C#N)CC2)C1 ZINC001127669454 763202153 /nfs/dbraw/zinc/20/21/53/763202153.db2.gz BXUBCHHJXPJHFK-HNNXBMFYSA-N 1 1 340.431 0.943 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)s1 ZINC001014811576 763213555 /nfs/dbraw/zinc/21/35/55/763213555.db2.gz MSAIQHZJRICUBQ-SMDDNHRTSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)s1 ZINC001014811576 763213563 /nfs/dbraw/zinc/21/35/63/763213563.db2.gz MSAIQHZJRICUBQ-SMDDNHRTSA-N 1 1 332.429 0.836 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cn(C(C)C)cn3)C2)C1=O ZINC001031874381 763215608 /nfs/dbraw/zinc/21/56/08/763215608.db2.gz QHGGGZOJYACHDN-INIZCTEOSA-N 1 1 345.447 0.913 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001046848813 763225040 /nfs/dbraw/zinc/22/50/40/763225040.db2.gz PVOIKCCTZZSRNM-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001046848813 763225049 /nfs/dbraw/zinc/22/50/49/763225049.db2.gz PVOIKCCTZZSRNM-MAUKXSAKSA-N 1 1 343.431 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cc(C)on3)C2)nc1 ZINC001051907503 763300202 /nfs/dbraw/zinc/30/02/02/763300202.db2.gz XYMNXCDKBOQDLX-INIZCTEOSA-N 1 1 340.383 0.990 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccon3)C2)nc1 ZINC001051909078 763304162 /nfs/dbraw/zinc/30/41/62/763304162.db2.gz OVQBMKJVACWQGQ-OAHLLOKOSA-N 1 1 326.356 0.682 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@]2(C)CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001046895335 763325602 /nfs/dbraw/zinc/32/56/02/763325602.db2.gz DTFDKRLCBZVKQO-CXAGYDPISA-N 1 1 346.435 0.342 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccc(C)nc2)C1 ZINC000991765596 763336994 /nfs/dbraw/zinc/33/69/94/763336994.db2.gz ULQPUBGEQVMFPI-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccc(C)nc2)C1 ZINC000991765596 763336998 /nfs/dbraw/zinc/33/69/98/763336998.db2.gz ULQPUBGEQVMFPI-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H](C)C(=O)NC3CC3)C2)cc1 ZINC001031892309 763346627 /nfs/dbraw/zinc/34/66/27/763346627.db2.gz WNBVFZNFSISGKO-CYBMUJFWSA-N 1 1 325.412 0.997 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046927335 763401744 /nfs/dbraw/zinc/40/17/44/763401744.db2.gz XIDWFNMDNOGCHW-ZIAGYGMSSA-N 1 1 331.407 0.967 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)s1 ZINC001031896201 763414932 /nfs/dbraw/zinc/41/49/32/763414932.db2.gz DOKWFWYRIXLBFV-UONOGXRCSA-N 1 1 332.429 0.679 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001046940571 763428130 /nfs/dbraw/zinc/42/81/30/763428130.db2.gz WNBHMOCKZZPATF-HZSPNIEDSA-N 1 1 341.402 0.998 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046944591 763432950 /nfs/dbraw/zinc/43/29/50/763432950.db2.gz JSYZROHHVCEDLS-OLZOCXBDSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C)n2CC)C1 ZINC001030462207 763436705 /nfs/dbraw/zinc/43/67/05/763436705.db2.gz LNVCCUFJVGGTLB-HNNXBMFYSA-N 1 1 330.436 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C)n2CC)C1 ZINC001030462207 763436709 /nfs/dbraw/zinc/43/67/09/763436709.db2.gz LNVCCUFJVGGTLB-HNNXBMFYSA-N 1 1 330.436 0.004 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001046955117 763456192 /nfs/dbraw/zinc/45/61/92/763456192.db2.gz XPVFOPYJAHXZBO-ZIAGYGMSSA-N 1 1 341.402 0.952 20 30 ECEDMO N#Cc1cncc(NC[C@@H](O)CNC(=O)[C@H]2CCCc3[nH+]ccn32)n1 ZINC001105994544 763465843 /nfs/dbraw/zinc/46/58/43/763465843.db2.gz BRGUYFUOISXHNP-CHWSQXEVSA-N 1 1 341.375 0.011 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001046961377 763468547 /nfs/dbraw/zinc/46/85/47/763468547.db2.gz WMFPGOGIDCUSIC-KBPBESRZSA-N 1 1 341.402 0.999 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001046961377 763468551 /nfs/dbraw/zinc/46/85/51/763468551.db2.gz WMFPGOGIDCUSIC-KBPBESRZSA-N 1 1 341.402 0.999 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCS(C)(=O)=O ZINC001099498041 763496999 /nfs/dbraw/zinc/49/69/99/763496999.db2.gz SFEFOOMBUBBGNY-JJXSEGSLSA-N 1 1 338.473 0.613 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001046995161 763534008 /nfs/dbraw/zinc/53/40/08/763534008.db2.gz NGRJLXTZNNUHCX-OLZOCXBDSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001046995161 763534012 /nfs/dbraw/zinc/53/40/12/763534012.db2.gz NGRJLXTZNNUHCX-OLZOCXBDSA-N 1 1 327.375 0.561 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)CC1 ZINC001051992566 763538188 /nfs/dbraw/zinc/53/81/88/763538188.db2.gz AXBXSHYRDUPHNA-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](N2CC[NH+](CCn3cccn3)CC2)C1 ZINC001051997672 763548265 /nfs/dbraw/zinc/54/82/65/763548265.db2.gz FQQZLNGDWUVWPY-CVEARBPZSA-N 1 1 330.436 0.261 20 30 ECEDMO Cc1cc(NCCOCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c(C#N)cn1 ZINC001127320413 768145091 /nfs/dbraw/zinc/14/50/91/768145091.db2.gz VEBAAQDBPYHZRO-OAHLLOKOSA-N 1 1 345.447 0.522 20 30 ECEDMO CN(CCOCCNc1ncc(C#N)cc1F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001127320372 768145360 /nfs/dbraw/zinc/14/53/60/768145360.db2.gz RYMXREWNWGXBCQ-AWEZNQCLSA-N 1 1 349.410 0.931 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)C1 ZINC001106003587 763603333 /nfs/dbraw/zinc/60/33/33/763603333.db2.gz DXBVIPSJDQPXFG-ZFWWWQNUSA-N 1 1 346.435 0.215 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)c1ccnn1C ZINC001052030170 763627814 /nfs/dbraw/zinc/62/78/14/763627814.db2.gz ISVOQCYUCWPJTG-HUUCEWRRSA-N 1 1 330.436 0.266 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030413 763629266 /nfs/dbraw/zinc/62/92/66/763629266.db2.gz NRKJRENWQOCHHM-CVEARBPZSA-N 1 1 329.448 0.375 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)Cn3ccc(C)n3)C2)CC1 ZINC001052032403 763635530 /nfs/dbraw/zinc/63/55/30/763635530.db2.gz GRCOHPNELJMKCR-SJLPKXTDSA-N 1 1 343.475 0.679 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C2)CC1 ZINC001052033339 763636482 /nfs/dbraw/zinc/63/64/82/763636482.db2.gz PVWTVHSXJRDWCK-HNNXBMFYSA-N 1 1 338.415 0.423 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)[nH]nc3Cl)C2)CC1 ZINC001052035565 763643156 /nfs/dbraw/zinc/64/31/56/763643156.db2.gz DSEDNYAPRKTDJY-CYBMUJFWSA-N 1 1 335.839 0.837 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccnn3C)C2)CC1 ZINC001052035998 763646061 /nfs/dbraw/zinc/64/60/61/763646061.db2.gz WKFXUTFQGNGICU-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3ccnn3C)C2)CC1 ZINC001052035998 763646067 /nfs/dbraw/zinc/64/60/67/763646067.db2.gz WKFXUTFQGNGICU-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)CC1 ZINC001052040652 763662590 /nfs/dbraw/zinc/66/25/90/763662590.db2.gz DCPUALWMZAQTJS-AWEZNQCLSA-N 1 1 331.420 0.279 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)CC1 ZINC001052044935 763681303 /nfs/dbraw/zinc/68/13/03/763681303.db2.gz NWCFJHTUEGABRU-SJORKVTESA-N 1 1 343.475 0.850 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc(C4CC4)cn3)C2)CC1 ZINC001052045949 763685289 /nfs/dbraw/zinc/68/52/89/763685289.db2.gz YNDPMTLBPVRRCL-SFHVURJKSA-N 1 1 341.459 0.612 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052047047 763688998 /nfs/dbraw/zinc/68/89/98/763688998.db2.gz HNDOMJSOEADOKI-ZWKOTPCHSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]nc3CCC)C2)CC1 ZINC001052048046 763694134 /nfs/dbraw/zinc/69/41/34/763694134.db2.gz JJCLKCZUPKUGKF-HNNXBMFYSA-N 1 1 329.448 0.828 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052048887 763699067 /nfs/dbraw/zinc/69/90/67/763699067.db2.gz FLADZCNSCAYAQT-CVEARBPZSA-N 1 1 334.464 0.450 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052048887 763699071 /nfs/dbraw/zinc/69/90/71/763699071.db2.gz FLADZCNSCAYAQT-CVEARBPZSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001054679568 768156482 /nfs/dbraw/zinc/15/64/82/768156482.db2.gz KFMDVBLRSZZURP-KOLCDFICSA-N 1 1 326.832 0.925 20 30 ECEDMO CC1(C)CO[C@@H](CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052052740 763717602 /nfs/dbraw/zinc/71/76/02/763717602.db2.gz WFBSTZXLGQSNMC-HOTGVXAUSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052053744 763719779 /nfs/dbraw/zinc/71/97/79/763719779.db2.gz RBCMRXUZGNHLIR-WMZOPIPTSA-N 1 1 343.475 0.765 20 30 ECEDMO Cn1ccnc1CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052055598 763724779 /nfs/dbraw/zinc/72/47/79/763724779.db2.gz ANOBTVRVHDQUQC-HNNXBMFYSA-N 1 1 330.436 0.095 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CCC(=O)NC1 ZINC001015043183 763738007 /nfs/dbraw/zinc/73/80/07/763738007.db2.gz MEQVEWFPBFVCHZ-DLBZAZTESA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCC(=O)NC1 ZINC001015043183 763738012 /nfs/dbraw/zinc/73/80/12/763738012.db2.gz MEQVEWFPBFVCHZ-DLBZAZTESA-N 1 1 325.412 0.755 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccccn3)C2)CC1 ZINC001052060638 763741522 /nfs/dbraw/zinc/74/15/22/763741522.db2.gz ISGRPXCSMHLZJA-KRWDZBQOSA-N 1 1 327.432 0.756 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccccn3)C2)CC1 ZINC001052060819 763741753 /nfs/dbraw/zinc/74/17/53/763741753.db2.gz NFTATEYPNWZJJT-GOSISDBHSA-N 1 1 326.444 0.866 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)nc(OC)c3)C2)CC1 ZINC001052070063 763766772 /nfs/dbraw/zinc/76/67/72/763766772.db2.gz CHTJSQVZAGULCD-QGZVFWFLSA-N 1 1 342.443 0.864 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603771 763816850 /nfs/dbraw/zinc/81/68/50/763816850.db2.gz OJXJSSVZIRPYMY-NVXWUHKLSA-N 1 1 331.464 0.355 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052089640 763824643 /nfs/dbraw/zinc/82/46/43/763824643.db2.gz SDLHPTJLHIKUEU-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C2)CC1 ZINC001052092722 763834305 /nfs/dbraw/zinc/83/43/05/763834305.db2.gz HEVRDEIANDXXBA-OAHLLOKOSA-N 1 1 347.463 0.755 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)COC3CCOCC3)C2)CC1 ZINC001052093608 763838617 /nfs/dbraw/zinc/83/86/17/763838617.db2.gz OFYCLKITNLWDAE-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)COC3CCOCC3)C2)CC1 ZINC001052093608 763838627 /nfs/dbraw/zinc/83/86/27/763838627.db2.gz OFYCLKITNLWDAE-INIZCTEOSA-N 1 1 337.464 0.587 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(COC)on3)C2)CC1 ZINC001052094205 763840301 /nfs/dbraw/zinc/84/03/01/763840301.db2.gz ZSZCYTCDTVRCMS-HNNXBMFYSA-N 1 1 346.431 0.676 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4nncn4c3)C2)CC1 ZINC001052098954 763856168 /nfs/dbraw/zinc/85/61/68/763856168.db2.gz ROPXFAIRCSQMOD-MRXNPFEDSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052104932 763874630 /nfs/dbraw/zinc/87/46/30/763874630.db2.gz BNVOPSKSXOZRRD-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052104932 763874635 /nfs/dbraw/zinc/87/46/35/763874635.db2.gz BNVOPSKSXOZRRD-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C2)CC1 ZINC001052106348 763879535 /nfs/dbraw/zinc/87/95/35/763879535.db2.gz ITGUCGYFZIWIGE-HNNXBMFYSA-N 1 1 341.459 0.374 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106659 763882377 /nfs/dbraw/zinc/88/23/77/763882377.db2.gz QBFJZBOJQHLGSU-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106659 763882383 /nfs/dbraw/zinc/88/23/83/763882383.db2.gz QBFJZBOJQHLGSU-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052112850 763909239 /nfs/dbraw/zinc/90/92/39/763909239.db2.gz GFRKJOVKMFMYCW-QZTJIDSGSA-N 1 1 346.475 0.097 20 30 ECEDMO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c(C)n1C ZINC001052116993 763925583 /nfs/dbraw/zinc/92/55/83/763925583.db2.gz CUEAHHOIIUSHJZ-MRXNPFEDSA-N 1 1 329.448 0.998 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C2)CC1 ZINC001052117603 763928562 /nfs/dbraw/zinc/92/85/62/763928562.db2.gz VALWKBZAPDRZIW-KRWDZBQOSA-N 1 1 340.427 0.251 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)CC1 ZINC001052120081 763937864 /nfs/dbraw/zinc/93/78/64/763937864.db2.gz XUNXSMNZZUJZPW-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)CC1 ZINC001052120081 763937869 /nfs/dbraw/zinc/93/78/69/763937869.db2.gz XUNXSMNZZUJZPW-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121853 763943839 /nfs/dbraw/zinc/94/38/39/763943839.db2.gz ITJOAKVURBHIJB-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121853 763943845 /nfs/dbraw/zinc/94/38/45/763943845.db2.gz ITJOAKVURBHIJB-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC(Nc3ccc(C#N)cn3)C2)O1 ZINC001052124858 763953779 /nfs/dbraw/zinc/95/37/79/763953779.db2.gz XSHOSENHIQKUFZ-TWRYWWQQSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC(Nc3ccc(C#N)cn3)C2)O1 ZINC001052124858 763953782 /nfs/dbraw/zinc/95/37/82/763953782.db2.gz XSHOSENHIQKUFZ-TWRYWWQQSA-N 1 1 343.431 0.979 20 30 ECEDMO Cc1cc(C(=O)N(C)[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)[nH]n1 ZINC001047315878 763971209 /nfs/dbraw/zinc/97/12/09/763971209.db2.gz WANACTOGNPLVGL-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)[nH]n1 ZINC001047315878 763971217 /nfs/dbraw/zinc/97/12/17/763971217.db2.gz WANACTOGNPLVGL-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 ZINC001052190026 764030522 /nfs/dbraw/zinc/03/05/22/764030522.db2.gz HAAXJISPOPUANS-LLVKDONJSA-N 1 1 343.229 0.552 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 ZINC001052190026 764030524 /nfs/dbraw/zinc/03/05/24/764030524.db2.gz HAAXJISPOPUANS-LLVKDONJSA-N 1 1 343.229 0.552 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001047338286 764045898 /nfs/dbraw/zinc/04/58/98/764045898.db2.gz UAUYDNRCVMTGRG-COXVUDFISA-N 1 1 346.431 0.820 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001047354130 764090898 /nfs/dbraw/zinc/09/08/98/764090898.db2.gz RQGYHCFCKNCCSC-RCBQFDQVSA-N 1 1 332.404 0.430 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)[C@@H]1C ZINC001088868337 764093373 /nfs/dbraw/zinc/09/33/73/764093373.db2.gz XNSWTZAOKSMDRL-OJLVUWQFSA-N 1 1 335.448 0.777 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)[C@@H]1C ZINC001088868337 764093378 /nfs/dbraw/zinc/09/33/78/764093378.db2.gz XNSWTZAOKSMDRL-OJLVUWQFSA-N 1 1 335.448 0.777 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cn[nH]c3)CC2)C1=O ZINC001052230546 764100157 /nfs/dbraw/zinc/10/01/57/764100157.db2.gz XSMUURKPWXKZSP-LSDHHAIUSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001047375571 764153534 /nfs/dbraw/zinc/15/35/34/764153534.db2.gz AJBIMDUAACALQN-KBPBESRZSA-N 1 1 330.388 0.983 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001047375571 764153543 /nfs/dbraw/zinc/15/35/43/764153543.db2.gz AJBIMDUAACALQN-KBPBESRZSA-N 1 1 330.388 0.983 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001089867206 764167548 /nfs/dbraw/zinc/16/75/48/764167548.db2.gz HOUQFCYJWYYDJM-ZJOBFFGXSA-N 1 1 340.427 0.919 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001047380063 764168658 /nfs/dbraw/zinc/16/86/58/764168658.db2.gz XKLNIGLQYDAHGZ-XIRDDKMYSA-N 1 1 346.431 0.293 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001047380063 764168665 /nfs/dbraw/zinc/16/86/65/764168665.db2.gz XKLNIGLQYDAHGZ-XIRDDKMYSA-N 1 1 346.431 0.293 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC001089867641 764170868 /nfs/dbraw/zinc/17/08/68/764170868.db2.gz KETQXINUYHMJKO-SVGFKBNWSA-N 1 1 327.432 0.550 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC2CCC2)C1 ZINC001047381286 764171656 /nfs/dbraw/zinc/17/16/56/764171656.db2.gz HEPJCAFIEKUQAN-IRXDYDNUSA-N 1 1 330.432 0.824 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001077576673 764176686 /nfs/dbraw/zinc/17/66/86/764176686.db2.gz XWKBLPSUEAHIIM-XNRPHZJLSA-N 1 1 333.436 0.048 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001106057599 764183333 /nfs/dbraw/zinc/18/33/33/764183333.db2.gz DCWBQDLNBSROAD-KBPBESRZSA-N 1 1 332.408 0.030 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001047388699 764188783 /nfs/dbraw/zinc/18/87/83/764188783.db2.gz IMJZMVGJKQVKES-STQMWFEESA-N 1 1 336.440 0.511 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)CC2)c[nH]1 ZINC001052318617 764240228 /nfs/dbraw/zinc/24/02/28/764240228.db2.gz BHLGWSGHLJNKNX-AWEZNQCLSA-N 1 1 344.419 0.496 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 ZINC001047405939 764240923 /nfs/dbraw/zinc/24/09/23/764240923.db2.gz DABFZZAYTFYUOS-IHRRRGAJSA-N 1 1 348.451 0.058 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001047406203 764242154 /nfs/dbraw/zinc/24/21/54/764242154.db2.gz RNPIQZYIBNDZIE-HOTGVXAUSA-N 1 1 329.404 0.718 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001047406203 764242155 /nfs/dbraw/zinc/24/21/55/764242155.db2.gz RNPIQZYIBNDZIE-HOTGVXAUSA-N 1 1 329.404 0.718 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001047409347 764255632 /nfs/dbraw/zinc/25/56/32/764255632.db2.gz SNXXZEUUYODNLJ-RYUDHWBXSA-N 1 1 346.387 0.930 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001047409347 764255637 /nfs/dbraw/zinc/25/56/37/764255637.db2.gz SNXXZEUUYODNLJ-RYUDHWBXSA-N 1 1 346.387 0.930 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3cn(C)nc3C)C2)nn1 ZINC001032041738 764257011 /nfs/dbraw/zinc/25/70/11/764257011.db2.gz YYCYEWOPXICTFA-UHFFFAOYSA-N 1 1 343.435 0.758 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ccncc23)C1 ZINC001047410016 764259324 /nfs/dbraw/zinc/25/93/24/764259324.db2.gz ZPIBFDSKEFLXQM-HOTGVXAUSA-N 1 1 329.404 0.813 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)c2ncn(C)n2)C1 ZINC000995268702 764268545 /nfs/dbraw/zinc/26/85/45/764268545.db2.gz SRFCSYNATQACPK-INIZCTEOSA-N 1 1 338.415 0.808 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001047419330 764289005 /nfs/dbraw/zinc/28/90/05/764289005.db2.gz ZZUPCHWJANLREU-IRXDYDNUSA-N 1 1 328.412 0.691 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001047419330 764289013 /nfs/dbraw/zinc/28/90/13/764289013.db2.gz ZZUPCHWJANLREU-IRXDYDNUSA-N 1 1 328.412 0.691 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001047420801 764292762 /nfs/dbraw/zinc/29/27/62/764292762.db2.gz OXWMNBCUZIDTOS-RYUDHWBXSA-N 1 1 342.321 0.636 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)C1 ZINC001106069773 764307994 /nfs/dbraw/zinc/30/79/94/764307994.db2.gz ZIQPTHUOACPNLC-RHSMWYFYSA-N 1 1 345.447 0.964 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001047439404 764349396 /nfs/dbraw/zinc/34/93/96/764349396.db2.gz FSCFLCFQEOFJSE-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001047447117 764373811 /nfs/dbraw/zinc/37/38/11/764373811.db2.gz KSIBUIGWYNHYCQ-OFQRWUPVSA-N 1 1 334.803 0.780 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001047447117 764373812 /nfs/dbraw/zinc/37/38/12/764373812.db2.gz KSIBUIGWYNHYCQ-OFQRWUPVSA-N 1 1 334.803 0.780 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001047450431 764382923 /nfs/dbraw/zinc/38/29/23/764382923.db2.gz VYRIRYAPLZYBOJ-IKGGRYGDSA-N 1 1 337.464 0.715 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001047460948 764414409 /nfs/dbraw/zinc/41/44/09/764414409.db2.gz QTRXRIZAASBIBL-IRXDYDNUSA-N 1 1 332.448 0.842 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001047462571 764417838 /nfs/dbraw/zinc/41/78/38/764417838.db2.gz IPXMUWZLQPDNSN-STQMWFEESA-N 1 1 345.428 0.674 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)c3cccnc32)C1 ZINC001047466252 764425029 /nfs/dbraw/zinc/42/50/29/764425029.db2.gz MBCIUNMWRVWVDN-GJZGRUSLSA-N 1 1 329.404 0.429 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001047469591 764431401 /nfs/dbraw/zinc/43/14/01/764431401.db2.gz ZDZMMWIHBVXQLL-STQMWFEESA-N 1 1 327.388 0.271 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001047469591 764431407 /nfs/dbraw/zinc/43/14/07/764431407.db2.gz ZDZMMWIHBVXQLL-STQMWFEESA-N 1 1 327.388 0.271 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccccc2C(N)=O)C1 ZINC001047481427 764474216 /nfs/dbraw/zinc/47/42/16/764474216.db2.gz CAAYOLZEVJDBKO-HOTGVXAUSA-N 1 1 331.416 0.408 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001047483932 764482845 /nfs/dbraw/zinc/48/28/45/764482845.db2.gz WNQYPIBJTZSTDO-GJZGRUSLSA-N 1 1 348.451 0.412 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001099054267 764487500 /nfs/dbraw/zinc/48/75/00/764487500.db2.gz CCHVYCJDTDLMGX-STQMWFEESA-N 1 1 341.402 0.998 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001099054267 764487505 /nfs/dbraw/zinc/48/75/05/764487505.db2.gz CCHVYCJDTDLMGX-STQMWFEESA-N 1 1 341.402 0.998 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089874043 764527288 /nfs/dbraw/zinc/52/72/88/764527288.db2.gz CEXINPLZVYKCQJ-MHEUCROKSA-N 1 1 331.416 0.394 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001047504879 764538835 /nfs/dbraw/zinc/53/88/35/764538835.db2.gz VRAMYBAJLCGRQO-ILXRZTDVSA-N 1 1 343.418 0.490 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001047504879 764538840 /nfs/dbraw/zinc/53/88/40/764538840.db2.gz VRAMYBAJLCGRQO-ILXRZTDVSA-N 1 1 343.418 0.490 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ncnn2C)CC1 ZINC001052458053 764542707 /nfs/dbraw/zinc/54/27/07/764542707.db2.gz XWJPGYOOFHUNCX-CVEARBPZSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ncnn2C)CC1 ZINC001052458053 764542711 /nfs/dbraw/zinc/54/27/11/764542711.db2.gz XWJPGYOOFHUNCX-CVEARBPZSA-N 1 1 344.463 0.383 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083780639 764545328 /nfs/dbraw/zinc/54/53/28/764545328.db2.gz FKUHBSPSGDMEDI-QGTPRVQTSA-N 1 1 342.443 0.561 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)[C@H]1C ZINC001088947749 764580077 /nfs/dbraw/zinc/58/00/77/764580077.db2.gz QWNCHNMTCLZDCZ-KFWWJZLASA-N 1 1 331.420 0.531 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001047521389 764580589 /nfs/dbraw/zinc/58/05/89/764580589.db2.gz PMJKOLDTKPQIEN-IRXDYDNUSA-N 1 1 345.443 0.798 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001047522194 764582151 /nfs/dbraw/zinc/58/21/51/764582151.db2.gz JXFLQJVDIJKVJG-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001047522194 764582157 /nfs/dbraw/zinc/58/21/57/764582157.db2.gz JXFLQJVDIJKVJG-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc(C)c2C(F)(F)F)C1 ZINC001047525882 764594950 /nfs/dbraw/zinc/59/49/50/764594950.db2.gz ZAYRMPLGRYKWLA-QWRGUYRKSA-N 1 1 344.337 0.877 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001047529805 764609976 /nfs/dbraw/zinc/60/99/76/764609976.db2.gz PFQYPXRKUKLTOZ-GJZGRUSLSA-N 1 1 348.447 0.216 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COCCCOC)C2)nn1 ZINC001098767703 764622518 /nfs/dbraw/zinc/62/25/18/764622518.db2.gz NUIQNPDODDKPNN-HNNXBMFYSA-N 1 1 337.424 0.380 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001052502568 764631692 /nfs/dbraw/zinc/63/16/92/764631692.db2.gz MNWCPALMLIHOFI-ZDUSSCGKSA-N 1 1 339.417 0.535 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001052506175 764642982 /nfs/dbraw/zinc/64/29/82/764642982.db2.gz YIIRYVAXOJRXSU-KBPBESRZSA-N 1 1 331.420 0.540 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001047554464 764680537 /nfs/dbraw/zinc/68/05/37/764680537.db2.gz WZYJJPAEIKKJGZ-UWVGGRQHSA-N 1 1 347.341 0.527 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)OC)C[C@@H]2O)cc1 ZINC001047556916 764687134 /nfs/dbraw/zinc/68/71/34/764687134.db2.gz VCDBXIHMFNHEGE-WBAXXEDZSA-N 1 1 346.427 0.851 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001047557716 764689210 /nfs/dbraw/zinc/68/92/10/764689210.db2.gz IZKCZVBQFJDYEU-IKGGRYGDSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCCN2C(C)=O)C1 ZINC001047557717 764690024 /nfs/dbraw/zinc/69/00/24/764690024.db2.gz IZKCZVBQFJDYEU-ULQDDVLXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(=O)NCC ZINC001099074181 764694033 /nfs/dbraw/zinc/69/40/33/764694033.db2.gz JBXVBYDRTRENGZ-HNNXBMFYSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=O)NCC ZINC001099074181 764694040 /nfs/dbraw/zinc/69/40/40/764694040.db2.gz JBXVBYDRTRENGZ-HNNXBMFYSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)noc2Cl)C1 ZINC001047563542 764700270 /nfs/dbraw/zinc/70/02/70/764700270.db2.gz OPYAZXHGLAUXHT-STQMWFEESA-N 1 1 325.796 0.706 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088991232 764723226 /nfs/dbraw/zinc/72/32/26/764723226.db2.gz PIHRLMJRKSFVTA-PVAVHDDUSA-N 1 1 325.412 0.896 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088991232 764723233 /nfs/dbraw/zinc/72/32/33/764723233.db2.gz PIHRLMJRKSFVTA-PVAVHDDUSA-N 1 1 325.412 0.896 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(N3CCOCC3)CCC2)C1 ZINC001047580195 764761846 /nfs/dbraw/zinc/76/18/46/764761846.db2.gz CJJKKPVVMQZHQW-HOTGVXAUSA-N 1 1 337.464 0.321 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001047580810 764762988 /nfs/dbraw/zinc/76/29/88/764762988.db2.gz WGXCSURCBXLREH-KBMXLJTQSA-N 1 1 349.435 0.008 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001047593522 764813578 /nfs/dbraw/zinc/81/35/78/764813578.db2.gz KNVWSIYTKLSRSU-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC001052593937 764817200 /nfs/dbraw/zinc/81/72/00/764817200.db2.gz HTXGVKAKUXCESO-HUUCEWRRSA-N 1 1 343.418 0.946 20 30 ECEDMO CC(=O)N1CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)C1 ZINC001032156801 764826906 /nfs/dbraw/zinc/82/69/06/764826906.db2.gz ZHDQKPVNEKAIJP-LJQANCHMSA-N 1 1 339.439 0.955 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001047599059 764835058 /nfs/dbraw/zinc/83/50/58/764835058.db2.gz FRTYSHRWBNNJRE-IRXDYDNUSA-N 1 1 332.448 0.589 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001047599059 764835067 /nfs/dbraw/zinc/83/50/67/764835067.db2.gz FRTYSHRWBNNJRE-IRXDYDNUSA-N 1 1 332.448 0.589 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001047599338 764838071 /nfs/dbraw/zinc/83/80/71/764838071.db2.gz SBHYBZCHIPZRMN-HOTGVXAUSA-N 1 1 331.416 0.692 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001047599338 764838079 /nfs/dbraw/zinc/83/80/79/764838079.db2.gz SBHYBZCHIPZRMN-HOTGVXAUSA-N 1 1 331.416 0.692 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2Cc3ccccc3C2=O)C1 ZINC001047602041 764846148 /nfs/dbraw/zinc/84/61/48/764846148.db2.gz WPRVJNICXQXLGM-IRXDYDNUSA-N 1 1 341.411 0.169 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)CC1 ZINC001052621281 764865974 /nfs/dbraw/zinc/86/59/74/764865974.db2.gz ZNANMHBSPKMLKA-OAHLLOKOSA-N 1 1 330.436 0.936 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001047624152 764911866 /nfs/dbraw/zinc/91/18/66/764911866.db2.gz GZEBGZZJMIUQEY-HOTGVXAUSA-N 1 1 348.447 0.737 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001047624196 764912433 /nfs/dbraw/zinc/91/24/33/764912433.db2.gz HWUGLGMFMQQQIO-HOTGVXAUSA-N 1 1 348.447 0.737 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c3ccccc3oc2=O)C1 ZINC001047624578 764913641 /nfs/dbraw/zinc/91/36/41/764913641.db2.gz SSFRDWGGXKBUOL-GJZGRUSLSA-N 1 1 345.399 0.674 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001047624602 764915620 /nfs/dbraw/zinc/91/56/20/764915620.db2.gz VNEYBGDIJGGXSR-IRXDYDNUSA-N 1 1 341.415 0.961 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C ZINC001089060565 764918413 /nfs/dbraw/zinc/91/84/13/764918413.db2.gz UYBPIVNXVLCHNI-KGLIPLIRSA-N 1 1 348.451 0.525 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001047629412 764932899 /nfs/dbraw/zinc/93/28/99/764932899.db2.gz CLRTVGSSZUIQRD-KBPBESRZSA-N 1 1 338.839 0.680 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001047629412 764932903 /nfs/dbraw/zinc/93/29/03/764932903.db2.gz CLRTVGSSZUIQRD-KBPBESRZSA-N 1 1 338.839 0.680 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)CC1 ZINC001052660230 764951936 /nfs/dbraw/zinc/95/19/36/764951936.db2.gz UYNXKUBDJNIUQH-HUUCEWRRSA-N 1 1 329.448 0.914 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001077485221 764953668 /nfs/dbraw/zinc/95/36/68/764953668.db2.gz JISHJVOYCKXFOM-HUUCEWRRSA-N 1 1 327.388 0.009 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001077485221 764953673 /nfs/dbraw/zinc/95/36/73/764953673.db2.gz JISHJVOYCKXFOM-HUUCEWRRSA-N 1 1 327.388 0.009 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001077485406 764969512 /nfs/dbraw/zinc/96/95/12/764969512.db2.gz UEIFNZWDNVYWJU-HUUCEWRRSA-N 1 1 329.404 0.562 20 30 ECEDMO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1)[C@@H]1CNC(=O)N1 ZINC001052670569 764969709 /nfs/dbraw/zinc/96/97/09/764969709.db2.gz GBBZTCAGQKQEPC-SJORKVTESA-N 1 1 340.427 0.690 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)c1 ZINC001052670409 764969930 /nfs/dbraw/zinc/96/99/30/764969930.db2.gz FMYJGMUCXLHOOS-CVEARBPZSA-N 1 1 341.415 0.710 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CCS(C)(=O)=O)CC2)c1 ZINC001052696675 765001582 /nfs/dbraw/zinc/00/15/82/765001582.db2.gz TWKQXWDWLOVJFT-MRXNPFEDSA-N 1 1 349.456 0.692 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CCS(C)(=O)=O)CC2)c1 ZINC001052696675 765001587 /nfs/dbraw/zinc/00/15/87/765001587.db2.gz TWKQXWDWLOVJFT-MRXNPFEDSA-N 1 1 349.456 0.692 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001017659264 768259987 /nfs/dbraw/zinc/25/99/87/768259987.db2.gz TYQGBVMLGPZSQD-HOCLYGCPSA-N 1 1 348.447 0.530 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cocn2)C1 ZINC000991992270 765091431 /nfs/dbraw/zinc/09/14/31/765091431.db2.gz ZDFWXPWVFMTPBV-PIMMBPRGSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cocn2)C1 ZINC000991992270 765091441 /nfs/dbraw/zinc/09/14/41/765091441.db2.gz ZDFWXPWVFMTPBV-PIMMBPRGSA-N 1 1 330.388 0.397 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)CC2)nn1 ZINC001052777136 765102375 /nfs/dbraw/zinc/10/23/75/765102375.db2.gz BBQLXLIHKSNPLS-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)CC1 ZINC001052784459 765116908 /nfs/dbraw/zinc/11/69/08/765116908.db2.gz QWVKPKBYTUUHSH-HOCLYGCPSA-N 1 1 326.462 0.948 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786399 765120258 /nfs/dbraw/zinc/12/02/58/765120258.db2.gz VEURTNXPOASRLG-STQMWFEESA-N 1 1 349.884 0.744 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000992008330 765138861 /nfs/dbraw/zinc/13/88/61/765138861.db2.gz YZMABMYSBMXLEO-QRMWWUJWSA-N 1 1 329.404 0.463 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCN3CCCS3(=O)=O)C2)C1 ZINC001015675750 765147701 /nfs/dbraw/zinc/14/77/01/765147701.db2.gz DLUGNVPOTYISSH-CQSZACIVSA-N 1 1 341.477 0.569 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CCN3CCCS3(=O)=O)C2)C1 ZINC001015675750 765147705 /nfs/dbraw/zinc/14/77/05/765147705.db2.gz DLUGNVPOTYISSH-CQSZACIVSA-N 1 1 341.477 0.569 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001015679648 765151759 /nfs/dbraw/zinc/15/17/59/765151759.db2.gz ITZBVQWEJIQSCF-MLGOLLRUSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001015679648 765151761 /nfs/dbraw/zinc/15/17/61/765151761.db2.gz ITZBVQWEJIQSCF-MLGOLLRUSA-N 1 1 326.400 0.534 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 ZINC001015695384 765176478 /nfs/dbraw/zinc/17/64/78/765176478.db2.gz JSAUENLTVQRGCF-HRCADAONSA-N 1 1 342.399 0.282 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 ZINC001015695384 765176481 /nfs/dbraw/zinc/17/64/81/765176481.db2.gz JSAUENLTVQRGCF-HRCADAONSA-N 1 1 342.399 0.282 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC001052819437 765177946 /nfs/dbraw/zinc/17/79/46/765177946.db2.gz FWYCTNNNUUQVJH-CYBMUJFWSA-N 1 1 332.404 0.733 20 30 ECEDMO C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001052824083 765184469 /nfs/dbraw/zinc/18/44/69/765184469.db2.gz FHWNSTSKSJVNKU-FRFSOERESA-N 1 1 343.431 0.472 20 30 ECEDMO C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001052824083 765184472 /nfs/dbraw/zinc/18/44/72/765184472.db2.gz FHWNSTSKSJVNKU-FRFSOERESA-N 1 1 343.431 0.472 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001052840897 765210720 /nfs/dbraw/zinc/21/07/20/765210720.db2.gz IXPZHKMIQDBVKA-GDBMZVCRSA-N 1 1 348.447 0.995 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015711846 765213438 /nfs/dbraw/zinc/21/34/38/765213438.db2.gz RVGNGPZAGLJJLF-XHSDSOJGSA-N 1 1 329.375 0.489 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015711846 765213443 /nfs/dbraw/zinc/21/34/43/765213443.db2.gz RVGNGPZAGLJJLF-XHSDSOJGSA-N 1 1 329.375 0.489 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000992037974 765238113 /nfs/dbraw/zinc/23/81/13/765238113.db2.gz NAUKHROGAAIREF-RDJZCZTQSA-N 1 1 335.448 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)cn1 ZINC001052878947 765286415 /nfs/dbraw/zinc/28/64/15/765286415.db2.gz MHWDNTUIRVGKCV-HOTGVXAUSA-N 1 1 328.416 0.911 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)CC2)cn1 ZINC001052879393 765288130 /nfs/dbraw/zinc/28/81/30/765288130.db2.gz VYGPCJVUHAYLFR-CZUORRHYSA-N 1 1 328.416 0.782 20 30 ECEDMO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001052922426 765352322 /nfs/dbraw/zinc/35/23/22/765352322.db2.gz UXISFJDMHFAHRW-HZSPNIEDSA-N 1 1 328.420 0.488 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)cc1 ZINC001015809765 765367382 /nfs/dbraw/zinc/36/73/82/765367382.db2.gz UMCFDTZPQAPUCX-NVXWUHKLSA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)cc1 ZINC001015809765 765367388 /nfs/dbraw/zinc/36/73/88/765367388.db2.gz UMCFDTZPQAPUCX-NVXWUHKLSA-N 1 1 341.411 0.781 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCn3nc(C)nc3C)C2)nn1 ZINC001015811729 765371358 /nfs/dbraw/zinc/37/13/58/765371358.db2.gz LZDSMAHKRSCEFM-CQSZACIVSA-N 1 1 344.423 0.177 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2nc3ncccn3n2)CC1 ZINC001052932331 765374285 /nfs/dbraw/zinc/37/42/85/765374285.db2.gz MEXWSCNGNZURMM-AWEZNQCLSA-N 1 1 326.404 0.661 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001052978251 765446143 /nfs/dbraw/zinc/44/61/43/765446143.db2.gz WPLPSYZQNSIQDM-VXGBXAGGSA-N 1 1 327.812 0.762 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001052982830 765456429 /nfs/dbraw/zinc/45/64/29/765456429.db2.gz XQPNPGVXZLPMAJ-JKSUJKDBSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001015863355 765457937 /nfs/dbraw/zinc/45/79/37/765457937.db2.gz VHJDYMVHRDLKPN-ZIAGYGMSSA-N 1 1 331.420 0.618 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001015863355 765457938 /nfs/dbraw/zinc/45/79/38/765457938.db2.gz VHJDYMVHRDLKPN-ZIAGYGMSSA-N 1 1 331.420 0.618 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC001053026272 765499489 /nfs/dbraw/zinc/49/94/89/765499489.db2.gz DYASMLVLZFKVDM-JKSUJKDBSA-N 1 1 330.436 0.647 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC001053026269 765500180 /nfs/dbraw/zinc/50/01/80/765500180.db2.gz DYASMLVLZFKVDM-CVEARBPZSA-N 1 1 330.436 0.647 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC001053028484 765500772 /nfs/dbraw/zinc/50/07/72/765500772.db2.gz VQGPSXQPBMIPIT-HOTGVXAUSA-N 1 1 330.436 0.647 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC001053028482 765501301 /nfs/dbraw/zinc/50/13/01/765501301.db2.gz VQGPSXQPBMIPIT-CVEARBPZSA-N 1 1 330.436 0.647 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000992113048 765525409 /nfs/dbraw/zinc/52/54/09/765525409.db2.gz YEYCAVRGFPNUSD-PIMMBPRGSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001053051430 765527833 /nfs/dbraw/zinc/52/78/33/765527833.db2.gz MNXMFWIYCCQZTQ-LSDHHAIUSA-N 1 1 348.447 0.675 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001053051428 765528191 /nfs/dbraw/zinc/52/81/91/765528191.db2.gz MNXMFWIYCCQZTQ-HUUCEWRRSA-N 1 1 348.447 0.675 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN2CN=NC2=O)C1 ZINC001053074089 765547925 /nfs/dbraw/zinc/54/79/25/765547925.db2.gz AJJXIBNYBPDYNQ-LSDHHAIUSA-N 1 1 331.420 0.710 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2ncnn2)C1 ZINC001053087631 765562557 /nfs/dbraw/zinc/56/25/57/765562557.db2.gz VFSAVJGTJUZQBM-HOTGVXAUSA-N 1 1 330.436 0.790 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN2C(=O)CCC2=O)C1 ZINC001053105576 765581904 /nfs/dbraw/zinc/58/19/04/765581904.db2.gz PMXPPFJKXVPIBA-JKSUJKDBSA-N 1 1 345.443 0.862 20 30 ECEDMO Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C#N)cn1 ZINC001106092865 765589957 /nfs/dbraw/zinc/58/99/57/765589957.db2.gz OQTDSLPWCRVVTE-OFQRWUPVSA-N 1 1 345.447 0.303 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(OC)nn3)C2)C1=O ZINC001015945809 765592296 /nfs/dbraw/zinc/59/22/96/765592296.db2.gz MSVGCKGPCDSLFY-TZMCWYRMSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(OC)nn3)C2)C1=O ZINC001015945809 765592304 /nfs/dbraw/zinc/59/23/04/765592304.db2.gz MSVGCKGPCDSLFY-TZMCWYRMSA-N 1 1 345.403 0.076 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)c(F)c1 ZINC000992139211 765631316 /nfs/dbraw/zinc/63/13/16/765631316.db2.gz BWEIOYYWRDSMIN-PBHICJAKSA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)c(F)c1 ZINC000992139211 765631320 /nfs/dbraw/zinc/63/13/20/765631320.db2.gz BWEIOYYWRDSMIN-PBHICJAKSA-N 1 1 330.363 0.796 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1)[C@H]1CCNC1=O ZINC001089162425 765699385 /nfs/dbraw/zinc/69/93/85/765699385.db2.gz UPINSKARYZDGFU-GJZGRUSLSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cncn1C ZINC001077499055 765719575 /nfs/dbraw/zinc/71/95/75/765719575.db2.gz AQSHKNZFMKSQBS-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cncn1C ZINC001077499055 765719578 /nfs/dbraw/zinc/71/95/78/765719578.db2.gz AQSHKNZFMKSQBS-HOCLYGCPSA-N 1 1 345.447 0.071 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)cc1C#N ZINC000992162280 765720546 /nfs/dbraw/zinc/72/05/46/765720546.db2.gz RQJMMWHQICPRRC-YJBOKZPZSA-N 1 1 342.399 0.665 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001016015870 765722336 /nfs/dbraw/zinc/72/23/36/765722336.db2.gz CQOGRJWOTXXPED-ZFWWWQNUSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001016015870 765722341 /nfs/dbraw/zinc/72/23/41/765722341.db2.gz CQOGRJWOTXXPED-ZFWWWQNUSA-N 1 1 342.399 0.128 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)nc1 ZINC001016021801 765726091 /nfs/dbraw/zinc/72/60/91/765726091.db2.gz ATTKFVFGAKVKBR-CQSZACIVSA-N 1 1 340.383 0.016 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)nc1 ZINC001016021801 765726100 /nfs/dbraw/zinc/72/61/00/765726100.db2.gz ATTKFVFGAKVKBR-CQSZACIVSA-N 1 1 340.383 0.016 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C2)cn1 ZINC001016027578 765731044 /nfs/dbraw/zinc/73/10/44/765731044.db2.gz QZTBECQQZVTBRQ-QGZVFWFLSA-N 1 1 336.395 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC001016032160 765734041 /nfs/dbraw/zinc/73/40/41/765734041.db2.gz WYZJPISEQCTRCP-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC001016032160 765734047 /nfs/dbraw/zinc/73/40/47/765734047.db2.gz WYZJPISEQCTRCP-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncccc3OC)C2)C1=O ZINC001016093210 765773720 /nfs/dbraw/zinc/77/37/20/765773720.db2.gz NXSPNIGVCUUNPB-KBPBESRZSA-N 1 1 344.415 0.681 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncccc3OC)C2)C1=O ZINC001016093210 765773725 /nfs/dbraw/zinc/77/37/25/765773725.db2.gz NXSPNIGVCUUNPB-KBPBESRZSA-N 1 1 344.415 0.681 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001077502130 765801564 /nfs/dbraw/zinc/80/15/64/765801564.db2.gz ZNERSPKWNGLSPP-HUUCEWRRSA-N 1 1 327.388 0.823 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001077502130 765801573 /nfs/dbraw/zinc/80/15/73/765801573.db2.gz ZNERSPKWNGLSPP-HUUCEWRRSA-N 1 1 327.388 0.823 20 30 ECEDMO Cc1cc(NC[C@H](O)CNC(=O)C[N@H+]2CCC(C)(C)C2)c(C#N)cn1 ZINC001106108657 765853309 /nfs/dbraw/zinc/85/33/09/765853309.db2.gz MOLJQDVVLYBZBG-HNNXBMFYSA-N 1 1 345.447 0.305 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)c1cc([C@H]3CCC[N@H+]3C)[nH]n1)CCO2 ZINC001053263583 765865895 /nfs/dbraw/zinc/86/58/95/765865895.db2.gz PXRAZGTZWYBVOH-MRXNPFEDSA-N 1 1 345.447 0.889 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)c1cc([C@H]3CCC[N@@H+]3C)[nH]n1)CCO2 ZINC001053263583 765865901 /nfs/dbraw/zinc/86/59/01/765865901.db2.gz PXRAZGTZWYBVOH-MRXNPFEDSA-N 1 1 345.447 0.889 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2nccs2)C1 ZINC000992205211 765885066 /nfs/dbraw/zinc/88/50/66/765885066.db2.gz DQEKKDBUBMIYEE-RUXDESIVSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2nccs2)C1 ZINC000992205211 765885072 /nfs/dbraw/zinc/88/50/72/765885072.db2.gz DQEKKDBUBMIYEE-RUXDESIVSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccncn2)C1 ZINC000992209285 765909786 /nfs/dbraw/zinc/90/97/86/765909786.db2.gz USUKNQIWNYXCNT-XUJLQICISA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccncn2)C1 ZINC000992209285 765909793 /nfs/dbraw/zinc/90/97/93/765909793.db2.gz USUKNQIWNYXCNT-XUJLQICISA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ocnc2C)C1 ZINC000992209291 765909949 /nfs/dbraw/zinc/90/99/49/765909949.db2.gz UVHNDPFVKPETDX-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ocnc2C)C1 ZINC000992209291 765909956 /nfs/dbraw/zinc/90/99/56/765909956.db2.gz UVHNDPFVKPETDX-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001017744762 768343057 /nfs/dbraw/zinc/34/30/57/768343057.db2.gz IQJGVAGGVOEMKE-QXSJWSMHSA-N 1 1 333.432 0.498 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cncnc3CC)C2)C1=O ZINC001016273739 766018837 /nfs/dbraw/zinc/01/88/37/766018837.db2.gz BCYODVAIKNGITL-XJKSGUPXSA-N 1 1 343.431 0.630 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cncnc3CC)C2)C1=O ZINC001016273739 766018843 /nfs/dbraw/zinc/01/88/43/766018843.db2.gz BCYODVAIKNGITL-XJKSGUPXSA-N 1 1 343.431 0.630 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc3cc(C)nn3c2C)[C@@H](O)C1 ZINC001083683525 766049355 /nfs/dbraw/zinc/04/93/55/766049355.db2.gz ADAOGZAWGGANFZ-CABCVRRESA-N 1 1 329.404 0.697 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(C)nn3c2C)[C@@H](O)C1 ZINC001083683525 766049361 /nfs/dbraw/zinc/04/93/61/766049361.db2.gz ADAOGZAWGGANFZ-CABCVRRESA-N 1 1 329.404 0.697 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CCO2 ZINC001053395147 766077565 /nfs/dbraw/zinc/07/75/65/766077565.db2.gz VGJMFYJIVIOFDT-INIZCTEOSA-N 1 1 342.443 0.690 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCCC(=O)N1)CCO2 ZINC001053421400 766105230 /nfs/dbraw/zinc/10/52/30/766105230.db2.gz JQWBGQCIRMWOPR-OAHLLOKOSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000992281827 766144515 /nfs/dbraw/zinc/14/45/15/766144515.db2.gz LHLMNPNJXMTJJN-BACDZXNISA-N 1 1 346.475 0.189 20 30 ECEDMO C#CCN1CC[C@]2(NC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC000992310889 766232649 /nfs/dbraw/zinc/23/26/49/766232649.db2.gz NDXUSNRLKPBXHS-SJLPKXTDSA-N 1 1 329.448 0.805 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cncn3)C2)nn1 ZINC001098778765 766243180 /nfs/dbraw/zinc/24/31/80/766243180.db2.gz AQSJTHNVXHBNAO-CQSZACIVSA-N 1 1 330.396 0.009 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)s1 ZINC001016411365 766249923 /nfs/dbraw/zinc/24/99/23/766249923.db2.gz OFQVGVVEFQMRPW-RISCZKNCSA-N 1 1 347.444 0.853 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)s1 ZINC001016411365 766249925 /nfs/dbraw/zinc/24/99/25/766249925.db2.gz OFQVGVVEFQMRPW-RISCZKNCSA-N 1 1 347.444 0.853 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106125978 766266872 /nfs/dbraw/zinc/26/68/72/766266872.db2.gz FPXRPJGDHLXPJZ-OAHLLOKOSA-N 1 1 342.403 0.862 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@@H]12 ZINC000992348753 766343576 /nfs/dbraw/zinc/34/35/76/766343576.db2.gz XOJZSMBWSSBSLD-JCOBXYKOSA-N 1 1 332.404 0.274 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@H]12 ZINC000992352813 766354238 /nfs/dbraw/zinc/35/42/38/766354238.db2.gz PUVQBOMIPOBJMN-MAUKXSAKSA-N 1 1 328.416 0.607 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001045785286 766369158 /nfs/dbraw/zinc/36/91/58/766369158.db2.gz LPPQTBOHJMZHMA-GJZGRUSLSA-N 1 1 349.475 0.620 20 30 ECEDMO CO[C@@H](C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)O2 ZINC001053593698 766390597 /nfs/dbraw/zinc/39/05/97/766390597.db2.gz RMAIFQCGPWUPJJ-GXTWGEPZSA-N 1 1 332.404 0.884 20 30 ECEDMO CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250639 766409891 /nfs/dbraw/zinc/40/98/91/766409891.db2.gz DKZJZMIHLBKPGU-MCIONIFRSA-N 1 1 328.359 0.639 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250639 766409896 /nfs/dbraw/zinc/40/98/96/766409896.db2.gz DKZJZMIHLBKPGU-MCIONIFRSA-N 1 1 328.359 0.639 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn3ncccc13)O2 ZINC001053611230 766431712 /nfs/dbraw/zinc/43/17/12/766431712.db2.gz NGQAPCWZLFOLJI-CQSZACIVSA-N 1 1 339.399 0.716 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC001031679783 766445106 /nfs/dbraw/zinc/44/51/06/766445106.db2.gz IZIHCDCLOWJCGZ-PMPSAXMXSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn(C)c(=O)c1)O2 ZINC001053619375 766449353 /nfs/dbraw/zinc/44/93/53/766449353.db2.gz QSRDOXPUPLPFEM-OAHLLOKOSA-N 1 1 329.400 0.372 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)no1 ZINC001053620821 766455923 /nfs/dbraw/zinc/45/59/23/766455923.db2.gz VAOPWDJSAYFGAZ-GFCCVEGCSA-N 1 1 333.392 0.223 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)cn1 ZINC001045880130 766462488 /nfs/dbraw/zinc/46/24/88/766462488.db2.gz JOGCAXLFVVNXBK-MAZHCROVSA-N 1 1 326.400 0.616 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(N)=O)cn1 ZINC001045880130 766462494 /nfs/dbraw/zinc/46/24/94/766462494.db2.gz JOGCAXLFVVNXBK-MAZHCROVSA-N 1 1 326.400 0.616 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3[C@H](C)C(N)=O)CC1 ZINC001045895607 766477942 /nfs/dbraw/zinc/47/79/42/766477942.db2.gz LBNMXZBGNXUVPM-OIISXLGYSA-N 1 1 346.475 0.271 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)O2 ZINC001053649440 766510818 /nfs/dbraw/zinc/51/08/18/766510818.db2.gz MADFVXYRNJFBTK-IRXDYDNUSA-N 1 1 349.475 0.469 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001045955291 766526065 /nfs/dbraw/zinc/52/60/65/766526065.db2.gz BZEJFKORRGCGFM-IBGZPJMESA-N 1 1 348.491 0.699 20 30 ECEDMO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)O2 ZINC001053658311 766528019 /nfs/dbraw/zinc/52/80/19/766528019.db2.gz WRPRWSGEMSXOBC-RDJZCZTQSA-N 1 1 342.443 0.737 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)ccc3=O)CCC[C@@H]12 ZINC000992418547 766529649 /nfs/dbraw/zinc/52/96/49/766529649.db2.gz CVIJBLWRVDWFFP-CRAIPNDOSA-N 1 1 328.416 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H]2CCNC2=O)CC3)nc1 ZINC000992424076 766541846 /nfs/dbraw/zinc/54/18/46/766541846.db2.gz RCUXSDBOINKCFG-FCEWJHQRSA-N 1 1 338.411 0.678 20 30 ECEDMO C#CCCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2OC)cc1 ZINC001212255168 766552482 /nfs/dbraw/zinc/55/24/82/766552482.db2.gz GCUZXKGRFNCYEA-QZTJIDSGSA-N 1 1 346.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001045983494 766555130 /nfs/dbraw/zinc/55/51/30/766555130.db2.gz OHUHXUWQPBFTEC-SFHVURJKSA-N 1 1 344.415 0.437 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001045983979 766556088 /nfs/dbraw/zinc/55/60/88/766556088.db2.gz UONAGJWTISSDDY-GOSISDBHSA-N 1 1 347.463 0.781 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC3(C[NH+](C[C@@H](C)OC)C3)O2)nn1 ZINC001053676808 766560420 /nfs/dbraw/zinc/56/04/20/766560420.db2.gz KBIJZAGFJOCJNA-ZIAGYGMSSA-N 1 1 349.435 0.462 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@H]12 ZINC000992445412 766583262 /nfs/dbraw/zinc/58/32/62/766583262.db2.gz ADKJIYRJBYKQKG-WMLDXEAASA-N 1 1 333.436 0.580 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(CCC)nn1)O2 ZINC001053685655 766583693 /nfs/dbraw/zinc/58/36/93/766583693.db2.gz WFMYLIAVKXXSHL-AWEZNQCLSA-N 1 1 331.420 0.675 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccnnc2)C1 ZINC000992445336 766583880 /nfs/dbraw/zinc/58/38/80/766583880.db2.gz IFQXPAIZGFQLAC-BCLQGDPASA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccnnc2)C1 ZINC000992445336 766583885 /nfs/dbraw/zinc/58/38/85/766583885.db2.gz IFQXPAIZGFQLAC-BCLQGDPASA-N 1 1 341.415 0.199 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3n[nH]cc3C1)O2 ZINC001053686187 766585816 /nfs/dbraw/zinc/58/58/16/766585816.db2.gz JGKIEHATEYGADV-ZBFHGGJFSA-N 1 1 342.443 0.888 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 ZINC001046000741 766601057 /nfs/dbraw/zinc/60/10/57/766601057.db2.gz XPEIRTOCPYGOPN-QGZVFWFLSA-N 1 1 328.416 0.175 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001099168098 766607506 /nfs/dbraw/zinc/60/75/06/766607506.db2.gz IGLABIULRVHONF-DZKIICNBSA-N 1 1 341.477 0.615 20 30 ECEDMO Cc1ncc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046011539 766635944 /nfs/dbraw/zinc/63/59/44/766635944.db2.gz DOXGDEHRLCHFCH-HIFRSBDPSA-N 1 1 331.420 0.861 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnn(C)c3)CC2)C1 ZINC001046011645 766636686 /nfs/dbraw/zinc/63/66/86/766636686.db2.gz GMDKBTSNOKURAT-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO Cc1ncc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)cn1 ZINC001046012580 766639402 /nfs/dbraw/zinc/63/94/02/766639402.db2.gz PUVAZHWTIPDRIP-PBHICJAKSA-N 1 1 342.447 0.663 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)Nc1snc(Cl)c1C#N ZINC001121887272 766640624 /nfs/dbraw/zinc/64/06/24/766640624.db2.gz FKSGCMVHKNNQTP-VIFPVBQESA-N 1 1 345.856 0.899 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](CCc3ccnn3C)C2)CC1 ZINC001046012821 766640617 /nfs/dbraw/zinc/64/06/17/766640617.db2.gz QICUJENGXUBERX-RDJZCZTQSA-N 1 1 344.463 0.341 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)Cc3nc4ncccn4n3)CCC[C@H]12 ZINC000992470111 766649906 /nfs/dbraw/zinc/64/99/06/766649906.db2.gz ACXKBFCIFGBUTH-SUMWQHHRSA-N 1 1 326.404 0.966 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC001046021454 766666198 /nfs/dbraw/zinc/66/61/98/766666198.db2.gz HMASOOHYYWATRG-KRWDZBQOSA-N 1 1 336.480 0.113 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046022099 766668546 /nfs/dbraw/zinc/66/85/46/766668546.db2.gz OMPNPOVECVTRDM-ZFWWWQNUSA-N 1 1 331.420 0.099 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 ZINC001046023478 766672715 /nfs/dbraw/zinc/67/27/15/766672715.db2.gz NXHRNVWNAAZDAS-JKSUJKDBSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncccc3O)CC2)C1 ZINC001046024770 766675783 /nfs/dbraw/zinc/67/57/83/766675783.db2.gz RPYHWTXLYJBIQY-HNNXBMFYSA-N 1 1 328.416 0.643 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnnc(C)c3)CC2)C1 ZINC001046025287 766678626 /nfs/dbraw/zinc/67/86/26/766678626.db2.gz WFNNLFKPQASSNI-QGZVFWFLSA-N 1 1 327.432 0.640 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046026879 766684240 /nfs/dbraw/zinc/68/42/40/766684240.db2.gz GRFYUXMMTZRMBA-DOTOQJQBSA-N 1 1 346.475 0.095 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C)nn3)CC2)C1 ZINC001046027171 766686246 /nfs/dbraw/zinc/68/62/46/766686246.db2.gz IZIDSECBGGKXEB-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046027779 766687149 /nfs/dbraw/zinc/68/71/49/766687149.db2.gz ONVZJBDDPLKGTI-INIZCTEOSA-N 1 1 349.866 0.990 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC001046027779 766687158 /nfs/dbraw/zinc/68/71/58/766687158.db2.gz ONVZJBDDPLKGTI-INIZCTEOSA-N 1 1 349.866 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CC(OCC)C2)C1 ZINC000994749601 766691014 /nfs/dbraw/zinc/69/10/14/766691014.db2.gz BWRUDDLDQRRURL-BCLQGDPASA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CC(OCC)C2)C1 ZINC000994749601 766691016 /nfs/dbraw/zinc/69/10/16/766691016.db2.gz BWRUDDLDQRRURL-BCLQGDPASA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CCC)on2)C1 ZINC000994751015 766696330 /nfs/dbraw/zinc/69/63/30/766696330.db2.gz LCEHGKPTSBKSOX-INIZCTEOSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CCC)on2)C1 ZINC000994751015 766696335 /nfs/dbraw/zinc/69/63/35/766696335.db2.gz LCEHGKPTSBKSOX-INIZCTEOSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CC)ccn2)C1 ZINC000994751047 766696633 /nfs/dbraw/zinc/69/66/33/766696633.db2.gz LUXAFGXGLLIRLK-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CC)ccn2)C1 ZINC000994751047 766696636 /nfs/dbraw/zinc/69/66/36/766696636.db2.gz LUXAFGXGLLIRLK-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO CCN(c1ncccc1C#N)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089625167 766696767 /nfs/dbraw/zinc/69/67/67/766696767.db2.gz MUQVNKVIOCNSPT-HIFRSBDPSA-N 1 1 331.420 0.615 20 30 ECEDMO CCN(c1ncccc1C#N)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089625167 766696774 /nfs/dbraw/zinc/69/67/74/766696774.db2.gz MUQVNKVIOCNSPT-HIFRSBDPSA-N 1 1 331.420 0.615 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC001046030657 766697968 /nfs/dbraw/zinc/69/79/68/766697968.db2.gz XFMVFTUBGMZZQY-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001016670407 766698926 /nfs/dbraw/zinc/69/89/26/766698926.db2.gz NTZHRHZQTGYIPS-BACDZXNISA-N 1 1 346.475 0.284 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)nnc3C)CC2)C1 ZINC001046034644 766716908 /nfs/dbraw/zinc/71/69/08/766716908.db2.gz WNBOMPJQTJDLAV-INIZCTEOSA-N 1 1 327.432 0.559 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc(C4CC4)nn3)CC2)C1 ZINC001046034990 766718258 /nfs/dbraw/zinc/71/82/58/766718258.db2.gz ALGFHEQYYJUDQC-INIZCTEOSA-N 1 1 344.463 0.560 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2cncs2)C1 ZINC000994755437 766718354 /nfs/dbraw/zinc/71/83/54/766718354.db2.gz SBRJLCKJIMUTPS-HNNXBMFYSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2cncs2)C1 ZINC000994755437 766718365 /nfs/dbraw/zinc/71/83/65/766718365.db2.gz SBRJLCKJIMUTPS-HNNXBMFYSA-N 1 1 346.456 0.500 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046035526 766720651 /nfs/dbraw/zinc/72/06/51/766720651.db2.gz OGEYQFIVCJKLLE-IRXDYDNUSA-N 1 1 348.491 0.697 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)c(C)cc3=O)CC2)C1 ZINC001046037254 766732581 /nfs/dbraw/zinc/73/25/81/766732581.db2.gz NVPVTMSKMFTQSK-INIZCTEOSA-N 1 1 344.459 0.712 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4n3CCC4)CC2)C1 ZINC001046037185 766733002 /nfs/dbraw/zinc/73/30/02/766733002.db2.gz VCHGOFKZSFPOKC-OAHLLOKOSA-N 1 1 329.448 0.847 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc4cccn4cn3)CC2)C1 ZINC001046037832 766736557 /nfs/dbraw/zinc/73/65/57/766736557.db2.gz AEJQHNRNIFXTNJ-KRWDZBQOSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1OC ZINC001212264308 766739214 /nfs/dbraw/zinc/73/92/14/766739214.db2.gz GARLIERXPOTYCL-USXIJHARSA-N 1 1 338.448 0.657 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCn4nccc43)CC2)C1 ZINC001046038694 766739576 /nfs/dbraw/zinc/73/95/76/766739576.db2.gz NCMKGQKMHIJMAQ-DLBZAZTESA-N 1 1 341.459 0.612 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccn4cncc4c3)CC2)C1 ZINC001046041466 766752725 /nfs/dbraw/zinc/75/27/25/766752725.db2.gz JZROXSULVGMCNZ-QGZVFWFLSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn4cncc4c3)CC2)C1 ZINC001046041466 766752728 /nfs/dbraw/zinc/75/27/28/766752728.db2.gz JZROXSULVGMCNZ-QGZVFWFLSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCCN3C)CC2)C1 ZINC001046041981 766753928 /nfs/dbraw/zinc/75/39/28/766753928.db2.gz VWZFJESPGWMVKQ-ZWKOTPCHSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCCN3C)CC2)C1 ZINC001046041981 766753930 /nfs/dbraw/zinc/75/39/30/766753930.db2.gz VWZFJESPGWMVKQ-ZWKOTPCHSA-N 1 1 332.492 0.713 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(=O)c(OC)co3)CC2)C1 ZINC001046043570 766761821 /nfs/dbraw/zinc/76/18/21/766761821.db2.gz IJSSXSXCYLFDPJ-AWEZNQCLSA-N 1 1 347.415 0.667 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc(OC)n3)CC2)C1 ZINC001046043571 766762735 /nfs/dbraw/zinc/76/27/35/766762735.db2.gz AQISMBJVHLULGB-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC001046044302 766766287 /nfs/dbraw/zinc/76/62/87/766766287.db2.gz SMRUYQVVRVHQMF-KRWDZBQOSA-N 1 1 327.432 0.261 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC001046044768 766768726 /nfs/dbraw/zinc/76/87/26/766768726.db2.gz QYFOXRAUGQAMAJ-INIZCTEOSA-N 1 1 342.443 0.241 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC001046044796 766769255 /nfs/dbraw/zinc/76/92/55/766769255.db2.gz RKWMWGLIIMXTJF-INIZCTEOSA-N 1 1 331.464 0.676 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC001046045276 766769775 /nfs/dbraw/zinc/76/97/75/766769775.db2.gz VSKYTFMLHCFRMU-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106132855 766775804 /nfs/dbraw/zinc/77/58/04/766775804.db2.gz BGAMFJSRGMXRSV-BXUZGUMPSA-N 1 1 328.376 0.444 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001046047718 766779369 /nfs/dbraw/zinc/77/93/69/766779369.db2.gz XHABFZQZADNORE-WXJALIKYSA-N 1 1 343.471 0.652 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC001046054327 766800370 /nfs/dbraw/zinc/80/03/70/766800370.db2.gz LFZJPVJWDLUGIS-CQSZACIVSA-N 1 1 331.420 0.178 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001089645936 766802303 /nfs/dbraw/zinc/80/23/03/766802303.db2.gz DSIYAFBQEQWADY-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046056061 766807042 /nfs/dbraw/zinc/80/70/42/766807042.db2.gz NTTHBHXFAJDNMY-LPHOPBHVSA-N 1 1 346.475 0.145 20 30 ECEDMO N#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741314 766828377 /nfs/dbraw/zinc/82/83/77/766828377.db2.gz VLHFYIFAEWBVEK-DGSCNEQVSA-N 1 1 330.432 0.344 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC001046064849 766845586 /nfs/dbraw/zinc/84/55/86/766845586.db2.gz WPMMQFSBWYRWIA-MRXNPFEDSA-N 1 1 332.452 0.152 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3scnc3COC)CC2)C1 ZINC001046068060 766860343 /nfs/dbraw/zinc/86/03/43/766860343.db2.gz BYACHKOGMLWIPL-AWEZNQCLSA-N 1 1 348.472 0.755 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CC)nc3C)CC2)C1 ZINC001046069929 766871403 /nfs/dbraw/zinc/87/14/03/766871403.db2.gz JXYPCSNKSCUZDV-MRXNPFEDSA-N 1 1 329.448 0.677 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC001046072573 766883109 /nfs/dbraw/zinc/88/31/09/766883109.db2.gz IMUCDHPRPHPRRT-KRWDZBQOSA-N 1 1 341.459 0.651 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3CC)CC2)C1 ZINC001046074808 766891119 /nfs/dbraw/zinc/89/11/19/766891119.db2.gz HLBDGLGIYLMOJI-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nonc3C)CC2)C1 ZINC001046075362 766894550 /nfs/dbraw/zinc/89/45/50/766894550.db2.gz RHQSQPWNTVUVSR-HNNXBMFYSA-N 1 1 331.420 0.162 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CCC)nn3)CC2)C1 ZINC001046075404 766895428 /nfs/dbraw/zinc/89/54/28/766895428.db2.gz SFSPHPHOSKFZSD-HNNXBMFYSA-N 1 1 332.452 0.706 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CC4CC4)nn3)CC2)C1 ZINC001046075108 766895870 /nfs/dbraw/zinc/89/58/70/766895870.db2.gz OURIGLOQEDHHOW-INIZCTEOSA-N 1 1 342.447 0.153 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC001046076894 766905196 /nfs/dbraw/zinc/90/51/96/766905196.db2.gz IMKAUHXRDYZXQB-MRXNPFEDSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CC)cn3)CC2)C1 ZINC001046077470 766907703 /nfs/dbraw/zinc/90/77/03/766907703.db2.gz WWHSTANUCZKFBI-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)n(C)nc3Cl)CC2)C1 ZINC001046079886 766914065 /nfs/dbraw/zinc/91/40/65/766914065.db2.gz GKZUMSHDTVORGM-CQSZACIVSA-N 1 1 349.866 0.847 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046081531 766919372 /nfs/dbraw/zinc/91/93/72/766919372.db2.gz MAVJLHGAXYNXAR-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC001046082676 766921652 /nfs/dbraw/zinc/92/16/52/766921652.db2.gz VKNLDXHZXABFHR-QGZVFWFLSA-N 1 1 346.475 0.241 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC001046087006 766929854 /nfs/dbraw/zinc/92/98/54/766929854.db2.gz OLJPHGNNTWKQIO-QZTJIDSGSA-N 1 1 346.475 0.239 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046088656 766931060 /nfs/dbraw/zinc/93/10/60/766931060.db2.gz RYGJAKHXYYQTGJ-OAHLLOKOSA-N 1 1 337.855 0.854 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046088656 766931062 /nfs/dbraw/zinc/93/10/62/766931062.db2.gz RYGJAKHXYYQTGJ-OAHLLOKOSA-N 1 1 337.855 0.854 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C)on3)C2)C1=O ZINC001046122991 766952598 /nfs/dbraw/zinc/95/25/98/766952598.db2.gz LVZHIXSDRXNFCG-WMLDXEAASA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C)on3)C2)C1=O ZINC001046122991 766952604 /nfs/dbraw/zinc/95/26/04/766952604.db2.gz LVZHIXSDRXNFCG-WMLDXEAASA-N 1 1 332.404 0.964 20 30 ECEDMO N#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CO2 ZINC001053830172 766962683 /nfs/dbraw/zinc/96/26/83/766962683.db2.gz STQSAPFGAYJLHT-HOCLYGCPSA-N 1 1 332.448 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnn(C)c3)C2)C1=O ZINC001046135733 766969431 /nfs/dbraw/zinc/96/94/31/766969431.db2.gz VWMMHBOXOFIPJV-YOEHRIQHSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cnn(C)c3)C2)C1=O ZINC001046135733 766969438 /nfs/dbraw/zinc/96/94/38/766969438.db2.gz VWMMHBOXOFIPJV-YOEHRIQHSA-N 1 1 331.420 0.401 20 30 ECEDMO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001089670310 766974037 /nfs/dbraw/zinc/97/40/37/766974037.db2.gz DLELWYJOTOITCK-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001046157196 766989504 /nfs/dbraw/zinc/98/95/04/766989504.db2.gz VMBJKUFAOOHTHZ-MAUKXSAKSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001046157196 766989508 /nfs/dbraw/zinc/98/95/08/766989508.db2.gz VMBJKUFAOOHTHZ-MAUKXSAKSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nc(CC)no2)C1 ZINC001031742807 767006366 /nfs/dbraw/zinc/00/63/66/767006366.db2.gz SFGLVDLPIMUDAC-AWEZNQCLSA-N 1 1 331.420 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nc(CC)no2)C1 ZINC001031742807 767006377 /nfs/dbraw/zinc/00/63/77/767006377.db2.gz SFGLVDLPIMUDAC-AWEZNQCLSA-N 1 1 331.420 0.278 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC000994857202 767053693 /nfs/dbraw/zinc/05/36/93/767053693.db2.gz CWMZKDLHCQZLIU-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC000994857202 767053702 /nfs/dbraw/zinc/05/37/02/767053702.db2.gz CWMZKDLHCQZLIU-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001046202825 767056266 /nfs/dbraw/zinc/05/62/66/767056266.db2.gz MSGACIUKKRIIMS-MAUKXSAKSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cn(C)nc3C)C2)C1=O ZINC001046202825 767056273 /nfs/dbraw/zinc/05/62/73/767056273.db2.gz MSGACIUKKRIIMS-MAUKXSAKSA-N 1 1 345.447 0.710 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3n[nH]nc31)CO2 ZINC001053867865 767079333 /nfs/dbraw/zinc/07/93/33/767079333.db2.gz VGJDSQHBYAXGTD-GFCCVEGCSA-N 1 1 342.403 0.892 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001046220620 767087686 /nfs/dbraw/zinc/08/76/86/767087686.db2.gz VCMXOBNWZSUNPZ-UYAOXDASSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001046220620 767087694 /nfs/dbraw/zinc/08/76/94/767087694.db2.gz VCMXOBNWZSUNPZ-UYAOXDASSA-N 1 1 341.455 0.949 20 30 ECEDMO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001089712481 767110544 /nfs/dbraw/zinc/11/05/44/767110544.db2.gz BDTYEXBHPFTPTL-CYBMUJFWSA-N 1 1 327.392 0.884 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001089709770 767112404 /nfs/dbraw/zinc/11/24/04/767112404.db2.gz XVVHJUWQWFGGRC-KGLIPLIRSA-N 1 1 341.477 0.260 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001089709770 767112406 /nfs/dbraw/zinc/11/24/06/767112406.db2.gz XVVHJUWQWFGGRC-KGLIPLIRSA-N 1 1 341.477 0.260 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nccc(C)n3)C2)C1=O ZINC001046280099 767123745 /nfs/dbraw/zinc/12/37/45/767123745.db2.gz HIZDTBOQNHUADS-KBXCAEBGSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3nccc(C)n3)C2)C1=O ZINC001046280099 767123748 /nfs/dbraw/zinc/12/37/48/767123748.db2.gz HIZDTBOQNHUADS-KBXCAEBGSA-N 1 1 343.431 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC000938937376 767153593 /nfs/dbraw/zinc/15/35/93/767153593.db2.gz IBVDYEGKGCXBPG-KGLIPLIRSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC000938937376 767153595 /nfs/dbraw/zinc/15/35/95/767153595.db2.gz IBVDYEGKGCXBPG-KGLIPLIRSA-N 1 1 330.388 0.445 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@H](OC)C1 ZINC001212292297 767170725 /nfs/dbraw/zinc/17/07/25/767170725.db2.gz XASWMRJEIHMVLW-HUUCEWRRSA-N 1 1 336.436 0.807 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nccnc1N ZINC001089787253 767178652 /nfs/dbraw/zinc/17/86/52/767178652.db2.gz MCOZAEMAZJGVDB-YJNKXOJESA-N 1 1 325.416 0.865 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001046399482 767195923 /nfs/dbraw/zinc/19/59/23/767195923.db2.gz HSSJYIVSJVFPEC-SJCJKPOMSA-N 1 1 347.419 0.405 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001212311004 767198804 /nfs/dbraw/zinc/19/88/04/767198804.db2.gz DMWURDMCXKFPHB-HUUCEWRRSA-N 1 1 335.404 0.709 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nnc[nH]1 ZINC001089791695 767200653 /nfs/dbraw/zinc/20/06/53/767200653.db2.gz JYGASUCRHHRTQN-JJXSEGSLSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nc[nH]n1 ZINC001089791695 767200654 /nfs/dbraw/zinc/20/06/54/767200654.db2.gz JYGASUCRHHRTQN-JJXSEGSLSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nc[nH]n1 ZINC001089791695 767200655 /nfs/dbraw/zinc/20/06/55/767200655.db2.gz JYGASUCRHHRTQN-JJXSEGSLSA-N 1 1 327.432 0.929 20 30 ECEDMO CCCCCCC[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 ZINC001212318580 767206178 /nfs/dbraw/zinc/20/61/78/767206178.db2.gz BBEPLTAXRMQCHZ-HUUCEWRRSA-N 1 1 346.493 0.817 20 30 ECEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 ZINC001212318580 767206179 /nfs/dbraw/zinc/20/61/79/767206179.db2.gz BBEPLTAXRMQCHZ-HUUCEWRRSA-N 1 1 346.493 0.817 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCOCC2)C1 ZINC001089796387 767221494 /nfs/dbraw/zinc/22/14/94/767221494.db2.gz GZFFWHZPHFLBRJ-XSLAGTTESA-N 1 1 331.460 0.511 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnn(C)c1N ZINC001089798467 767222915 /nfs/dbraw/zinc/22/29/15/767222915.db2.gz TVROTXFGXAVXET-UKMLZYKCSA-N 1 1 327.432 0.808 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001046466974 767243706 /nfs/dbraw/zinc/24/37/06/767243706.db2.gz UWAGRDWLAAUZQF-KRWDZBQOSA-N 1 1 334.420 0.660 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC ZINC001212337376 767253251 /nfs/dbraw/zinc/25/32/51/767253251.db2.gz KPJULDDVPOQVCQ-CHWSQXEVSA-N 1 1 341.843 0.872 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC ZINC001212337376 767253253 /nfs/dbraw/zinc/25/32/53/767253253.db2.gz KPJULDDVPOQVCQ-CHWSQXEVSA-N 1 1 341.843 0.872 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001212340172 767263497 /nfs/dbraw/zinc/26/34/97/767263497.db2.gz FGJCZCAOQXALAX-BFHYXJOUSA-N 1 1 325.453 0.881 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001212340172 767263501 /nfs/dbraw/zinc/26/35/01/767263501.db2.gz FGJCZCAOQXALAX-BFHYXJOUSA-N 1 1 325.453 0.881 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncnn1 ZINC001089817540 767290346 /nfs/dbraw/zinc/29/03/46/767290346.db2.gz SOVQVSMIBGHTEJ-FZKCQIBNSA-N 1 1 330.436 0.808 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(=O)n3C)C2)C1=O ZINC001046542649 767293312 /nfs/dbraw/zinc/29/33/12/767293312.db2.gz KPXOBFDGLNFXRW-YVEFUNNKSA-N 1 1 347.419 0.107 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cnc(N(C)C)cn2)C1 ZINC001089818773 767299650 /nfs/dbraw/zinc/29/96/50/767299650.db2.gz YLUZJJLOJXEPTH-JKQORVJESA-N 1 1 339.443 0.958 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001046556082 767301586 /nfs/dbraw/zinc/30/15/86/767301586.db2.gz CTLHSMANMCEDPA-KCTHJMFYSA-N 1 1 333.432 0.246 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(C)CCC(=O)NC1)CO2 ZINC001053902411 767304669 /nfs/dbraw/zinc/30/46/69/767304669.db2.gz CDBNATLAIYJMBR-PBHICJAKSA-N 1 1 335.448 0.828 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053904552 767313301 /nfs/dbraw/zinc/31/33/01/767313301.db2.gz PPRFAUADBOUCHM-CVEARBPZSA-N 1 1 335.448 0.078 20 30 ECEDMO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053904552 767313314 /nfs/dbraw/zinc/31/33/14/767313314.db2.gz PPRFAUADBOUCHM-CVEARBPZSA-N 1 1 335.448 0.078 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000992692675 767328163 /nfs/dbraw/zinc/32/81/63/767328163.db2.gz ZTJRAGQZYJIFHT-GJYPPUQNSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908279 767330100 /nfs/dbraw/zinc/33/01/00/767330100.db2.gz ORTLWHQZXHEQEC-GJZGRUSLSA-N 1 1 328.416 0.347 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046588883 767340635 /nfs/dbraw/zinc/34/06/35/767340635.db2.gz SKMZCDPUYIYRBI-CRAIPNDOSA-N 1 1 344.390 0.439 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046588883 767340644 /nfs/dbraw/zinc/34/06/44/767340644.db2.gz SKMZCDPUYIYRBI-CRAIPNDOSA-N 1 1 344.390 0.439 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001046604237 767355462 /nfs/dbraw/zinc/35/54/62/767355462.db2.gz HLBHTXICZZETLW-BFUOFWGJSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001046604237 767355467 /nfs/dbraw/zinc/35/54/67/767355467.db2.gz HLBHTXICZZETLW-BFUOFWGJSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001046605361 767356690 /nfs/dbraw/zinc/35/66/90/767356690.db2.gz RYYDADMKNMSIEU-LJQANCHMSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001046605361 767356697 /nfs/dbraw/zinc/35/66/97/767356697.db2.gz RYYDADMKNMSIEU-LJQANCHMSA-N 1 1 340.427 0.878 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106146733 767367352 /nfs/dbraw/zinc/36/73/52/767367352.db2.gz FUBFIZFATDXTJM-CABCVRRESA-N 1 1 331.420 0.717 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1cc(C)ncc1C#N ZINC001106147773 767373963 /nfs/dbraw/zinc/37/39/63/767373963.db2.gz XKJXRYNWPYFXEF-WBVHZDCISA-N 1 1 345.447 0.447 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046628822 767396133 /nfs/dbraw/zinc/39/61/33/767396133.db2.gz RKXSPXNRBDTYJP-GLJUWKHASA-N 1 1 344.390 0.899 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046628822 767396145 /nfs/dbraw/zinc/39/61/45/767396145.db2.gz RKXSPXNRBDTYJP-GLJUWKHASA-N 1 1 344.390 0.899 20 30 ECEDMO Cc1cc(NC[C@H](O)CNC(=O)C[N@H+](C)C2CCC2)c(C#N)cn1 ZINC001106153851 767403179 /nfs/dbraw/zinc/40/31/79/767403179.db2.gz BCAKLCULEOMTLB-HNNXBMFYSA-N 1 1 331.420 0.057 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001016970820 767416527 /nfs/dbraw/zinc/41/65/27/767416527.db2.gz QQQYJBFBALQEQG-LMPOIIKSSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001016970820 767416529 /nfs/dbraw/zinc/41/65/29/767416529.db2.gz QQQYJBFBALQEQG-LMPOIIKSSA-N 1 1 333.432 0.226 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001106157224 767417291 /nfs/dbraw/zinc/41/72/91/767417291.db2.gz BHFRHSCMVYUNNI-LSDHHAIUSA-N 1 1 346.435 0.420 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc2nnnn2c1 ZINC001089836805 767432750 /nfs/dbraw/zinc/43/27/50/767432750.db2.gz UQNGGWMCUYMJEW-HNKHHVNMSA-N 1 1 336.399 0.540 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001046676258 767460209 /nfs/dbraw/zinc/46/02/09/767460209.db2.gz DDNMFGSAVPLQFI-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001106170932 767482902 /nfs/dbraw/zinc/48/29/02/767482902.db2.gz ZCHMAQWFCTYTQI-GJZGRUSLSA-N 1 1 346.435 0.358 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001046689749 767486417 /nfs/dbraw/zinc/48/64/17/767486417.db2.gz NUBOXURACYHHPH-DYVFJYSZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001046689749 767486422 /nfs/dbraw/zinc/48/64/22/767486422.db2.gz NUBOXURACYHHPH-DYVFJYSZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncc(C(N)=O)c1)CO2 ZINC001054010459 767592141 /nfs/dbraw/zinc/59/21/41/767592141.db2.gz SWEZJYIAVAAUEF-OAHLLOKOSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C1CC1)N1CCOCC1)CO2 ZINC001054013133 767597904 /nfs/dbraw/zinc/59/79/04/767597904.db2.gz OUQUYJLXJLSQNQ-IAGOWNOFSA-N 1 1 349.475 0.633 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)CO2 ZINC001054014966 767602947 /nfs/dbraw/zinc/60/29/47/767602947.db2.gz WKQDCQXRKSQZOH-UONOGXRCSA-N 1 1 343.855 0.419 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)CO2 ZINC001054014966 767602949 /nfs/dbraw/zinc/60/29/49/767602949.db2.gz WKQDCQXRKSQZOH-UONOGXRCSA-N 1 1 343.855 0.419 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(N)=O)cs1)CO2 ZINC001054017662 767609690 /nfs/dbraw/zinc/60/96/90/767609690.db2.gz ITCVJVHSNJPEHO-GFCCVEGCSA-N 1 1 335.429 0.996 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C(N)=O)n1)CO2 ZINC001054020585 767614127 /nfs/dbraw/zinc/61/41/27/767614127.db2.gz PJEQIIABZNRIMH-ZDUSSCGKSA-N 1 1 344.415 0.720 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1COCCN1C ZINC001054037366 767636435 /nfs/dbraw/zinc/63/64/35/767636435.db2.gz DBGMQJXEVKVUTD-RTBURBONSA-N 1 1 341.455 0.883 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1COCCN1C ZINC001054037366 767636439 /nfs/dbraw/zinc/63/64/39/767636439.db2.gz DBGMQJXEVKVUTD-RTBURBONSA-N 1 1 341.455 0.883 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001054039592 767638659 /nfs/dbraw/zinc/63/86/59/767638659.db2.gz DATGRVSBFMBUTL-HOTGVXAUSA-N 1 1 327.384 0.661 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054059228 767656189 /nfs/dbraw/zinc/65/61/89/767656189.db2.gz JWFKIFGBAYRPJS-QZTJIDSGSA-N 1 1 342.443 0.774 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054059228 767656193 /nfs/dbraw/zinc/65/61/93/767656193.db2.gz JWFKIFGBAYRPJS-QZTJIDSGSA-N 1 1 342.443 0.774 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001060476441 767688752 /nfs/dbraw/zinc/68/87/52/767688752.db2.gz OMEYWLPQZRWHNP-NTASLKFISA-N 1 1 326.404 0.097 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001054118556 767705729 /nfs/dbraw/zinc/70/57/29/767705729.db2.gz LHTWZGPNBIGTER-SCLBCKFNSA-N 1 1 343.431 0.949 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@]2(CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001054130003 767723395 /nfs/dbraw/zinc/72/33/95/767723395.db2.gz GDZXNLVCCFYTRT-IBGZPJMESA-N 1 1 329.444 0.947 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)nn1 ZINC001017222709 767735973 /nfs/dbraw/zinc/73/59/73/767735973.db2.gz BXHBTDHFTOSBDP-ZFWWWQNUSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054161732 767759873 /nfs/dbraw/zinc/75/98/73/767759873.db2.gz NLQARMBIPJKQQM-ZBFHGGJFSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054161732 767759877 /nfs/dbraw/zinc/75/98/77/767759877.db2.gz NLQARMBIPJKQQM-ZBFHGGJFSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@]3(CC[N@H+](CC(=O)NC)C3)C2)nn1 ZINC001054210050 767807190 /nfs/dbraw/zinc/80/71/90/767807190.db2.gz DQMBBOCOIZQOHX-KRWDZBQOSA-N 1 1 346.435 0.138 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1nc3nccc(C)n3n1)C2 ZINC001054235071 767844527 /nfs/dbraw/zinc/84/45/27/767844527.db2.gz PAXVFYSMVUFURK-SFHVURJKSA-N 1 1 338.415 0.994 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993200699 768455699 /nfs/dbraw/zinc/45/56/99/768455699.db2.gz NXGXHENVHULUBI-SWLSCSKDSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993200699 768455705 /nfs/dbraw/zinc/45/57/05/768455705.db2.gz NXGXHENVHULUBI-SWLSCSKDSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)C1 ZINC001055196880 768658073 /nfs/dbraw/zinc/65/80/73/768658073.db2.gz IVQHIKVVCCDQNB-NYTXWWLZSA-N 1 1 340.431 0.916 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001018064204 768679936 /nfs/dbraw/zinc/67/99/36/768679936.db2.gz WJOPPULSPPTLFM-OKILXGFUSA-N 1 1 325.372 0.747 20 30 ECEDMO CCc1nc(C#N)cc(NCCN(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001106709754 768696643 /nfs/dbraw/zinc/69/66/43/768696643.db2.gz DAOYAKNAPKNCTD-AWEZNQCLSA-N 1 1 346.435 0.502 20 30 ECEDMO CCc1nc(C#N)cc(NCCN(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001106709754 768696646 /nfs/dbraw/zinc/69/66/46/768696646.db2.gz DAOYAKNAPKNCTD-AWEZNQCLSA-N 1 1 346.435 0.502 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C1 ZINC001042057017 782689189 /nfs/dbraw/zinc/68/91/89/782689189.db2.gz FAUHAVPSKAUISC-JKSUJKDBSA-N 1 1 330.432 0.348 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(C(=O)C#CC(C)(C)C)C[C@H]3C2)C1 ZINC001055268359 768724244 /nfs/dbraw/zinc/72/42/44/768724244.db2.gz IAUPAZUECHRCNA-OWCLPIDISA-N 1 1 347.459 0.283 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(C(=O)C#CC(C)(C)C)C[C@H]3C2)C1 ZINC001055268359 768724245 /nfs/dbraw/zinc/72/42/45/768724245.db2.gz IAUPAZUECHRCNA-OWCLPIDISA-N 1 1 347.459 0.283 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@@H]2C1 ZINC001055312512 768766923 /nfs/dbraw/zinc/76/69/23/768766923.db2.gz JCYMXHKUKGLPEE-MWDXBVQZSA-N 1 1 331.460 0.904 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001106776854 768926137 /nfs/dbraw/zinc/92/61/37/768926137.db2.gz DLWRUIFZKCDPHR-OKILXGFUSA-N 1 1 330.436 0.903 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC000993388660 768940811 /nfs/dbraw/zinc/94/08/11/768940811.db2.gz CYTDPBFNCXAPMG-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 ZINC001018304143 769062038 /nfs/dbraw/zinc/06/20/38/769062038.db2.gz SGZKDBILBAVEMH-BETUJISGSA-N 1 1 332.408 0.018 20 30 ECEDMO Cc1cc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)ns1 ZINC001055567638 769133142 /nfs/dbraw/zinc/13/31/42/769133142.db2.gz JKENKNOIVYHJRP-NSHDSACASA-N 1 1 349.460 0.922 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2ccsn2)CC1 ZINC001055593085 769203593 /nfs/dbraw/zinc/20/35/93/769203593.db2.gz DMQTVRYJNXHQQP-LLVKDONJSA-N 1 1 335.433 0.613 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2ccsn2)CC1 ZINC001055594368 769208543 /nfs/dbraw/zinc/20/85/43/769208543.db2.gz SVHKCOMXBVJJDA-UHFFFAOYSA-N 1 1 346.456 0.867 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000993518614 769215661 /nfs/dbraw/zinc/21/56/61/769215661.db2.gz HZIMXGFHHCKAKL-YPMHNXCESA-N 1 1 339.417 0.533 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2csnn2)CC1 ZINC001055602031 769232507 /nfs/dbraw/zinc/23/25/07/769232507.db2.gz MVXKQKPHUGIOSY-UHFFFAOYSA-N 1 1 347.444 0.262 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCCS3(=O)=O)C[C@@H]21 ZINC001042084126 782734487 /nfs/dbraw/zinc/73/44/87/782734487.db2.gz OHKHUXGGXZZJLQ-GJZGRUSLSA-N 1 1 341.477 0.521 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2cncs2)CC1 ZINC001055629743 769297267 /nfs/dbraw/zinc/29/72/67/769297267.db2.gz IWAGSVYMZHIGID-LLVKDONJSA-N 1 1 335.433 0.613 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2cnsn2)CC1 ZINC001055629869 769298405 /nfs/dbraw/zinc/29/84/05/769298405.db2.gz MOPGMVMBLWRNIM-SNVBAGLBSA-N 1 1 336.421 0.008 20 30 ECEDMO C=C(C)CCC(=O)NC1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633223 769311109 /nfs/dbraw/zinc/31/11/09/769311109.db2.gz GLTNOADLSREGTF-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO C=C(C)CCC(=O)NC1CC[NH+](CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001055649459 769342635 /nfs/dbraw/zinc/34/26/35/769342635.db2.gz ZDTWSVXKZMHVRV-UHFFFAOYSA-N 1 1 348.451 0.400 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H]1C ZINC000993607989 769354060 /nfs/dbraw/zinc/35/40/60/769354060.db2.gz VALRGRRFAPTUHI-JSGCOSHPSA-N 1 1 326.404 0.969 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H]1C ZINC000993607989 769354068 /nfs/dbraw/zinc/35/40/68/769354068.db2.gz VALRGRRFAPTUHI-JSGCOSHPSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H]1C ZINC000993619642 769372413 /nfs/dbraw/zinc/37/24/13/769372413.db2.gz GZTMLHVLMFDPOP-GXTWGEPZSA-N 1 1 325.376 0.273 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H]1C ZINC000993619642 769372425 /nfs/dbraw/zinc/37/24/25/769372425.db2.gz GZTMLHVLMFDPOP-GXTWGEPZSA-N 1 1 325.376 0.273 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C ZINC000993593902 769386012 /nfs/dbraw/zinc/38/60/12/769386012.db2.gz XWUIYKWNZQSEAZ-HUUCEWRRSA-N 1 1 346.431 0.496 20 30 ECEDMO Cc1cc(N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001055750645 769596475 /nfs/dbraw/zinc/59/64/75/769596475.db2.gz BLTMMOMSVGGMHD-MRXNPFEDSA-N 1 1 329.404 0.241 20 30 ECEDMO Cc1cc(N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001055750645 769596483 /nfs/dbraw/zinc/59/64/83/769596483.db2.gz BLTMMOMSVGGMHD-MRXNPFEDSA-N 1 1 329.404 0.241 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001078357736 782764265 /nfs/dbraw/zinc/76/42/65/782764265.db2.gz AXIWLKXIZPOZHG-JSGCOSHPSA-N 1 1 346.435 0.559 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2noc3c2COCC3)C1 ZINC001078358700 782769609 /nfs/dbraw/zinc/76/96/09/782769609.db2.gz UMPPQYBRLWQZKY-STQMWFEESA-N 1 1 348.403 0.614 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)[nH]1 ZINC001078358905 782769889 /nfs/dbraw/zinc/76/98/89/782769889.db2.gz YMCLHHCVFNMZOT-CHWSQXEVSA-N 1 1 334.424 0.795 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001042103764 782773596 /nfs/dbraw/zinc/77/35/96/782773596.db2.gz ICKDBJMPVPTHQN-HNNXBMFYSA-N 1 1 335.448 0.517 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000993837617 769729379 /nfs/dbraw/zinc/72/93/79/769729379.db2.gz VRZWDXFZIVTNOZ-IOASZLSFSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C1CC1 ZINC001018730409 769819175 /nfs/dbraw/zinc/81/91/75/769819175.db2.gz AQBOBAUGSLMMPL-PWSUYJOCSA-N 1 1 340.391 0.773 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000993926478 769830864 /nfs/dbraw/zinc/83/08/64/769830864.db2.gz BWOPUMWQNRSXGF-SWLSCSKDSA-N 1 1 334.420 0.116 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CCF)C2)c[nH]1 ZINC001018739260 769833721 /nfs/dbraw/zinc/83/37/21/769833721.db2.gz ZZUYCVVLHUSBDP-LBPRGKRZSA-N 1 1 331.355 0.452 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127403842 769855786 /nfs/dbraw/zinc/85/57/86/769855786.db2.gz QYRCXYDMARGDMY-UHFFFAOYSA-N 1 1 348.451 0.965 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001055832796 769899356 /nfs/dbraw/zinc/89/93/56/769899356.db2.gz TXMNCQWGWSAARP-OKILXGFUSA-N 1 1 328.420 0.870 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001055854583 769983507 /nfs/dbraw/zinc/98/35/07/769983507.db2.gz GSHQYLGNLDKAAI-CQSZACIVSA-N 1 1 342.447 0.901 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 ZINC001042120356 782804234 /nfs/dbraw/zinc/80/42/34/782804234.db2.gz SKEUKIPWLBYMMD-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001055907181 770170658 /nfs/dbraw/zinc/17/06/58/770170658.db2.gz GSLZLFKVXUDECO-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCO[C@H](C[NH2+]Cc3ccon3)C2)c[nH]1 ZINC001078384018 782819937 /nfs/dbraw/zinc/81/99/37/782819937.db2.gz KBQCHTGPLAUCKO-OAHLLOKOSA-N 1 1 329.360 0.895 20 30 ECEDMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1 ZINC001078384287 782821328 /nfs/dbraw/zinc/82/13/28/782821328.db2.gz SDFZZWOWEARNNG-AWEZNQCLSA-N 1 1 343.391 0.036 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001055932952 770270239 /nfs/dbraw/zinc/27/02/39/770270239.db2.gz IFGFGAMSJLSIAF-QAPCUYQASA-N 1 1 335.448 0.067 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnon3)C2)c[nH]1 ZINC001078384283 782821769 /nfs/dbraw/zinc/82/17/69/782821769.db2.gz RZRMPVLNGJCTBF-AWEZNQCLSA-N 1 1 330.348 0.290 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C ZINC000994195052 770285019 /nfs/dbraw/zinc/28/50/19/770285019.db2.gz VKRLERARPQKMIK-FMKPAKJESA-N 1 1 344.415 0.597 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C ZINC000994195052 770285027 /nfs/dbraw/zinc/28/50/27/770285027.db2.gz VKRLERARPQKMIK-FMKPAKJESA-N 1 1 344.415 0.597 20 30 ECEDMO C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001106858234 770344720 /nfs/dbraw/zinc/34/47/20/770344720.db2.gz BEFKHWPXHHLIMS-MWLCHTKSSA-N 1 1 342.241 0.940 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055966552 770391266 /nfs/dbraw/zinc/39/12/66/770391266.db2.gz ISLDAQAZTGLWJV-IIDMSEBBSA-N 1 1 337.464 0.763 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)[C@@H]2C)cn1 ZINC000994244140 770397685 /nfs/dbraw/zinc/39/76/85/770397685.db2.gz BHAXIEJANCDNBF-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)[C@@H]2C)cn1 ZINC000994244140 770397695 /nfs/dbraw/zinc/39/76/95/770397695.db2.gz BHAXIEJANCDNBF-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)[C@@H]2C)cn1 ZINC000994252472 770440616 /nfs/dbraw/zinc/44/06/16/770440616.db2.gz PIMHJTKLZRGGQT-RHSMWYFYSA-N 1 1 338.415 0.937 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001056018893 770567092 /nfs/dbraw/zinc/56/70/92/770567092.db2.gz WEDMHVCCHZVHBA-UHFFFAOYSA-N 1 1 328.420 0.729 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCCS3(=O)=O)C[C@H]21 ZINC001042152639 782858896 /nfs/dbraw/zinc/85/88/96/782858896.db2.gz OOWAEDQSLGUHGC-HUUCEWRRSA-N 1 1 341.477 0.521 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@H]1C ZINC000994426329 770779845 /nfs/dbraw/zinc/77/98/45/770779845.db2.gz HZGMNMILLMBACX-KGLIPLIRSA-N 1 1 326.404 0.659 20 30 ECEDMO O=C(C#CC1CC1)N1CCCO[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001078398074 782869130 /nfs/dbraw/zinc/86/91/30/782869130.db2.gz JHSFSKLGFNPJNF-HNNXBMFYSA-N 1 1 343.431 0.803 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@@H]21 ZINC001042163293 782878220 /nfs/dbraw/zinc/87/82/20/782878220.db2.gz RGVITXYWWPKXHL-BBRMVZONSA-N 1 1 339.403 0.780 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C1(CF)CC1)C2 ZINC001019144842 770919599 /nfs/dbraw/zinc/91/95/99/770919599.db2.gz SZPKPMMULKUEHR-HNNXBMFYSA-N 1 1 347.434 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C1(CF)CC1)C2 ZINC001019144842 770919605 /nfs/dbraw/zinc/91/96/05/770919605.db2.gz SZPKPMMULKUEHR-HNNXBMFYSA-N 1 1 347.434 0.895 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001056232221 771024306 /nfs/dbraw/zinc/02/43/06/771024306.db2.gz ITOPDCDKHCDOFO-TWMKSMIVSA-N 1 1 341.415 0.225 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)C1 ZINC001056232221 771024314 /nfs/dbraw/zinc/02/43/14/771024314.db2.gz ITOPDCDKHCDOFO-TWMKSMIVSA-N 1 1 341.415 0.225 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC(C)(C)C1 ZINC001089390944 771025658 /nfs/dbraw/zinc/02/56/58/771025658.db2.gz JORRQTYJAHSPOS-ZDUSSCGKSA-N 1 1 348.451 0.560 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3ccc(F)cc3)C2)C1 ZINC001031419858 771040586 /nfs/dbraw/zinc/04/05/86/771040586.db2.gz IHNJUPXJZIWQAZ-SFHVURJKSA-N 1 1 345.418 0.698 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3ccc(F)cc3)C2)C1 ZINC001031419858 771040592 /nfs/dbraw/zinc/04/05/92/771040592.db2.gz IHNJUPXJZIWQAZ-SFHVURJKSA-N 1 1 345.418 0.698 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)C[C@H]21 ZINC001042173759 782889673 /nfs/dbraw/zinc/88/96/73/782889673.db2.gz TZAMTHWUVYHBKB-GDBMZVCRSA-N 1 1 336.399 0.832 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(C[C@@H]3C[C@@]34CCOC4)C2)CC1 ZINC001031434779 771068750 /nfs/dbraw/zinc/06/87/50/771068750.db2.gz DYKDUHXBEQZASR-QFBILLFUSA-N 1 1 331.460 0.559 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(C[C@H]3CCO[C@H](C)C3)C2)CC1 ZINC001031434956 771069607 /nfs/dbraw/zinc/06/96/07/771069607.db2.gz LEBDVUFVDISWTM-CVEARBPZSA-N 1 1 333.476 0.947 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)CC(C)(C)C1 ZINC001089409744 771092584 /nfs/dbraw/zinc/09/25/84/771092584.db2.gz WMZXSFWTXZFRHF-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001099324115 771114247 /nfs/dbraw/zinc/11/42/47/771114247.db2.gz HGOVLVMAJIUZOW-AWEZNQCLSA-N 1 1 335.452 0.683 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@H]21 ZINC001056344992 771152686 /nfs/dbraw/zinc/15/26/86/771152686.db2.gz VHVWMOIPIUKQKH-FOLVSLTJSA-N 1 1 337.387 0.413 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC001089432789 771157376 /nfs/dbraw/zinc/15/73/76/771157376.db2.gz DNMKWSWGCSEKJQ-KGLIPLIRSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC001089432789 771157380 /nfs/dbraw/zinc/15/73/80/771157380.db2.gz DNMKWSWGCSEKJQ-KGLIPLIRSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089434250 771169400 /nfs/dbraw/zinc/16/94/00/771169400.db2.gz RGXNKCQDBJMTNI-AWEZNQCLSA-N 1 1 346.431 0.579 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042182359 782903202 /nfs/dbraw/zinc/90/32/02/782903202.db2.gz DSORNAVMNCKPAG-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO CC1(C)C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CCN(CC#N)C1 ZINC001089444964 771200520 /nfs/dbraw/zinc/20/05/20/771200520.db2.gz AGALGGDLQMWZNT-IOSXPMGOSA-N 1 1 346.475 0.980 20 30 ECEDMO CC1(C)C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CCN(CC#N)C1 ZINC001089444963 771200616 /nfs/dbraw/zinc/20/06/16/771200616.db2.gz AGALGGDLQMWZNT-BWRBCVJASA-N 1 1 346.475 0.980 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CC[N@H+](C)CC ZINC001056401556 771226240 /nfs/dbraw/zinc/22/62/40/771226240.db2.gz HQXVRVMQGAOBAD-IKGGRYGDSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001056409023 771239249 /nfs/dbraw/zinc/23/92/49/771239249.db2.gz PHFQZYTYEACHGL-GVDBMIGSSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)/C=C(\C)CC)[C@H](OC)C2)C1=O ZINC001212237565 771262057 /nfs/dbraw/zinc/26/20/57/771262057.db2.gz RRFUPTLGDGPINR-BYOQMAPMSA-N 1 1 335.448 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)/C=C(\C)CC)[C@H](OC)C2)C1=O ZINC001212237565 771262064 /nfs/dbraw/zinc/26/20/64/771262064.db2.gz RRFUPTLGDGPINR-BYOQMAPMSA-N 1 1 335.448 0.945 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001056443882 771274787 /nfs/dbraw/zinc/27/47/87/771274787.db2.gz XDOQIRVKCLRFQJ-BRWVUGGUSA-N 1 1 349.475 0.957 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001056451327 771282008 /nfs/dbraw/zinc/28/20/08/771282008.db2.gz PUIWJZWWZRKZNV-DLTWYDFYSA-N 1 1 340.431 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CCOC ZINC001056452451 771282498 /nfs/dbraw/zinc/28/24/98/771282498.db2.gz IZZPTPXWDUONOH-BBWFWOEESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CCOC ZINC001056452451 771282499 /nfs/dbraw/zinc/28/24/99/771282499.db2.gz IZZPTPXWDUONOH-BBWFWOEESA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3scnc3C)C2)C1=O ZINC001031560125 771288296 /nfs/dbraw/zinc/28/82/96/771288296.db2.gz IKRVDKWHKDROBV-ZDUSSCGKSA-N 1 1 334.445 0.900 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001019457128 771316212 /nfs/dbraw/zinc/31/62/12/771316212.db2.gz GNUUMCYGYPIECR-XHSDSOJGSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nncn3C)C2)nn1 ZINC001019493742 771358137 /nfs/dbraw/zinc/35/81/37/771358137.db2.gz LVGJUANJTYWNSF-STQMWFEESA-N 1 1 344.423 0.548 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccncc3F)C2)C1=O ZINC001031592642 771358676 /nfs/dbraw/zinc/35/86/76/771358676.db2.gz WMVMCISRIJMQNJ-OAHLLOKOSA-N 1 1 332.379 0.669 20 30 ECEDMO CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056599853 771420149 /nfs/dbraw/zinc/42/01/49/771420149.db2.gz RBTRDQNGFQMZFO-OCCSQVGLSA-N 1 1 344.419 0.254 20 30 ECEDMO CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056599853 771420152 /nfs/dbraw/zinc/42/01/52/771420152.db2.gz RBTRDQNGFQMZFO-OCCSQVGLSA-N 1 1 344.419 0.254 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCCO1 ZINC001089544445 771435473 /nfs/dbraw/zinc/43/54/73/771435473.db2.gz WMBUEAZTJIZQQU-OAHLLOKOSA-N 1 1 346.435 0.400 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCCO1 ZINC001089547914 771449219 /nfs/dbraw/zinc/44/92/19/771449219.db2.gz HUQSQVHFJJMQEH-OAHLLOKOSA-N 1 1 346.435 0.402 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)CC(C)(C)C1 ZINC001089556416 771475880 /nfs/dbraw/zinc/47/58/80/771475880.db2.gz RAEGONGSJQZUFT-ZDUSSCGKSA-N 1 1 343.431 0.819 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@H]21 ZINC001042200471 782928586 /nfs/dbraw/zinc/92/85/86/782928586.db2.gz DRVNKMLJJSDXGV-DZGCQCFKSA-N 1 1 329.400 0.867 20 30 ECEDMO N#Cc1cncc(N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001056667005 771490260 /nfs/dbraw/zinc/49/02/60/771490260.db2.gz OVMHYJSDLSINFN-CYBMUJFWSA-N 1 1 330.392 0.083 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561153 771494076 /nfs/dbraw/zinc/49/40/76/771494076.db2.gz NLNLVHBJLRXGKC-KBPBESRZSA-N 1 1 341.477 0.308 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC(C)(C)C1 ZINC001089564553 771512138 /nfs/dbraw/zinc/51/21/38/771512138.db2.gz CANLIDHTCYPVLM-CYBMUJFWSA-N 1 1 346.435 0.007 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001056761009 771602582 /nfs/dbraw/zinc/60/25/82/771602582.db2.gz WNJXUWSWDYHAAO-UKRRQHHQSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001056761009 771602585 /nfs/dbraw/zinc/60/25/85/771602585.db2.gz WNJXUWSWDYHAAO-UKRRQHHQSA-N 1 1 344.419 0.470 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)ccc1F ZINC001042209683 782941064 /nfs/dbraw/zinc/94/10/64/782941064.db2.gz CGEYILPCRFEVAR-DOMZBBRYSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)ccc1F ZINC001042209683 782941068 /nfs/dbraw/zinc/94/10/68/782941068.db2.gz CGEYILPCRFEVAR-DOMZBBRYSA-N 1 1 330.363 0.605 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056796201 771654675 /nfs/dbraw/zinc/65/46/75/771654675.db2.gz FKMDPPSDSUEIOK-NWDGAFQWSA-N 1 1 325.376 0.385 20 30 ECEDMO Cc1ccc(C#N)c(N(C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001056879848 771756756 /nfs/dbraw/zinc/75/67/56/771756756.db2.gz NWPCVTAHIRUGGU-HZPDHXFCSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1ccc(C#N)c(N(C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001056879848 771756759 /nfs/dbraw/zinc/75/67/59/771756759.db2.gz NWPCVTAHIRUGGU-HZPDHXFCSA-N 1 1 343.431 0.629 20 30 ECEDMO CN(c1ccncc1C#N)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001056880261 771757692 /nfs/dbraw/zinc/75/76/92/771757692.db2.gz YXGJOSXINLCMCI-ZBFHGGJFSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ccncc1C#N)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001056880261 771757695 /nfs/dbraw/zinc/75/76/95/771757695.db2.gz YXGJOSXINLCMCI-ZBFHGGJFSA-N 1 1 329.404 0.321 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)nn3)C2)O1 ZINC001057062726 772019773 /nfs/dbraw/zinc/01/97/73/772019773.db2.gz SCJIPTBVZKJSTL-VHDGCEQUSA-N 1 1 344.419 0.104 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)nn3)C2)O1 ZINC001057062726 772019778 /nfs/dbraw/zinc/01/97/78/772019778.db2.gz SCJIPTBVZKJSTL-VHDGCEQUSA-N 1 1 344.419 0.104 20 30 ECEDMO COCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001020088671 772144851 /nfs/dbraw/zinc/14/48/51/772144851.db2.gz UGSUBPHSQPUWDM-XYPYZODXSA-N 1 1 330.348 0.466 20 30 ECEDMO CCc1nc(C#N)cc(N2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001057141888 772154737 /nfs/dbraw/zinc/15/47/37/772154737.db2.gz CMLXIDOWWRDALG-AWEZNQCLSA-N 1 1 342.447 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)OC)[C@H]1C ZINC001020115556 772175749 /nfs/dbraw/zinc/17/57/49/772175749.db2.gz DLSUIPGYZQDJEV-VGWMRTNUSA-N 1 1 335.448 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)OC)[C@H]1C ZINC001020115556 772175753 /nfs/dbraw/zinc/17/57/53/772175753.db2.gz DLSUIPGYZQDJEV-VGWMRTNUSA-N 1 1 335.448 0.615 20 30 ECEDMO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1C#N ZINC001020138849 772205454 /nfs/dbraw/zinc/20/54/54/772205454.db2.gz DSJNPRPJUBFJRF-KBUPBQIOSA-N 1 1 344.371 0.969 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001057171244 772211947 /nfs/dbraw/zinc/21/19/47/772211947.db2.gz TXFKXRYUOKZWCT-CQSZACIVSA-N 1 1 334.420 0.664 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001057174095 772215104 /nfs/dbraw/zinc/21/51/04/772215104.db2.gz QJTYNJJUVLUGAG-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCCO2)[C@H]1C ZINC001020185235 772258288 /nfs/dbraw/zinc/25/82/88/772258288.db2.gz LRUBPBAZOMDFLW-LUKYLMHMSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCCO2)[C@H]1C ZINC001020185235 772258291 /nfs/dbraw/zinc/25/82/91/772258291.db2.gz LRUBPBAZOMDFLW-LUKYLMHMSA-N 1 1 347.459 0.759 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001020191214 772263899 /nfs/dbraw/zinc/26/38/99/772263899.db2.gz SUJBDEIAMPREFR-GUTXKFCHSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CCC[C@@H]1C)NC(=O)CSCC#N ZINC001078465800 782998019 /nfs/dbraw/zinc/99/80/19/782998019.db2.gz KEWZYPKTUALOQK-STQMWFEESA-N 1 1 326.466 0.738 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057211427 772284714 /nfs/dbraw/zinc/28/47/14/772284714.db2.gz FFKKPGJKLNKEDP-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001057212561 772287557 /nfs/dbraw/zinc/28/75/57/772287557.db2.gz PYNFCUUNOMXMDB-WMLDXEAASA-N 1 1 325.453 0.620 20 30 ECEDMO C[N@@H+](CC(=O)N1CCCN(c2cnc(C#N)cn2)CC1)C1CCC1 ZINC001057251328 772344290 /nfs/dbraw/zinc/34/42/90/772344290.db2.gz HMFCDTMNVPWAKM-UHFFFAOYSA-N 1 1 328.420 0.871 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3cnc(C#N)cn3)CC2)C1 ZINC001057303441 772432746 /nfs/dbraw/zinc/43/27/46/772432746.db2.gz WFNFJAAJKWAHDB-AWEZNQCLSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3cnc(C#N)cn3)CC2)C1 ZINC001057303441 772432749 /nfs/dbraw/zinc/43/27/49/772432749.db2.gz WFNFJAAJKWAHDB-AWEZNQCLSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3cncc(C#N)n3)CC2)C1 ZINC001057303502 772433447 /nfs/dbraw/zinc/43/34/47/772433447.db2.gz ZQJAZASUVYFELC-CQSZACIVSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3cncc(C#N)n3)CC2)C1 ZINC001057303502 772433451 /nfs/dbraw/zinc/43/34/51/772433451.db2.gz ZQJAZASUVYFELC-CQSZACIVSA-N 1 1 330.392 0.082 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)[C@H]1C ZINC001020320624 772441038 /nfs/dbraw/zinc/44/10/38/772441038.db2.gz PADSKZYGCHSRCP-GMHRPJKWSA-N 1 1 345.443 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)[C@H]1C ZINC001020320624 772441041 /nfs/dbraw/zinc/44/10/41/772441041.db2.gz PADSKZYGCHSRCP-GMHRPJKWSA-N 1 1 345.443 0.226 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3nccnc3C#N)CC2)C1 ZINC001057337189 772483083 /nfs/dbraw/zinc/48/30/83/772483083.db2.gz OHVAIMBNIUFUJS-HNNXBMFYSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3nccnc3C#N)CC2)C1 ZINC001057337189 772483086 /nfs/dbraw/zinc/48/30/86/772483086.db2.gz OHVAIMBNIUFUJS-HNNXBMFYSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001057446472 772623378 /nfs/dbraw/zinc/62/33/78/772623378.db2.gz DJOXPHDDXVOIOM-DLBZAZTESA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(CNc3ccc(C#N)nn3)CC2)C1 ZINC001057483752 772672344 /nfs/dbraw/zinc/67/23/44/772672344.db2.gz KUSRWFOFBSUALB-OAHLLOKOSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(CNc3ccc(C#N)nn3)CC2)C1 ZINC001057483752 772672348 /nfs/dbraw/zinc/67/23/48/772672348.db2.gz KUSRWFOFBSUALB-OAHLLOKOSA-N 1 1 344.419 0.329 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(CNc2ccnc(C#N)n2)CC1 ZINC001057523807 772715705 /nfs/dbraw/zinc/71/57/05/772715705.db2.gz LQRRTWHVBKPRNX-UHFFFAOYSA-N 1 1 339.403 0.626 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 ZINC001057535784 772730768 /nfs/dbraw/zinc/73/07/68/772730768.db2.gz WPJOUWDULRTUNY-KRWDZBQOSA-N 1 1 349.475 0.315 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057536066 772731099 /nfs/dbraw/zinc/73/10/99/772731099.db2.gz KHSADVLWHYFHBU-MRXNPFEDSA-N 1 1 335.448 0.210 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057537601 772732869 /nfs/dbraw/zinc/73/28/69/772732869.db2.gz HIOLBNDKOJXKTJ-MRXNPFEDSA-N 1 1 335.448 0.211 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 ZINC001057537710 772733150 /nfs/dbraw/zinc/73/31/50/772733150.db2.gz KZSHTKSXEJXAIV-KRWDZBQOSA-N 1 1 349.475 0.459 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(CNc2ccnc(C#N)n2)CC1 ZINC001057541639 772738184 /nfs/dbraw/zinc/73/81/84/772738184.db2.gz NERDSJZBKUAVRG-ZFWWWQNUSA-N 1 1 342.447 0.618 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001057601730 772799536 /nfs/dbraw/zinc/79/95/36/772799536.db2.gz TWZLKPHIZBSHJN-LSDHHAIUSA-N 1 1 339.480 0.724 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001057601651 772799630 /nfs/dbraw/zinc/79/96/30/772799630.db2.gz QPUBLEBXWIEUIU-AWEZNQCLSA-N 1 1 325.453 0.478 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001057602271 772800729 /nfs/dbraw/zinc/80/07/29/772800729.db2.gz RLWNJHZPUTVQQB-JSGCOSHPSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3nccnc3C#N)C2)C1 ZINC001057602271 772800733 /nfs/dbraw/zinc/80/07/33/772800733.db2.gz RLWNJHZPUTVQQB-JSGCOSHPSA-N 1 1 330.392 0.082 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057636689 772844713 /nfs/dbraw/zinc/84/47/13/772844713.db2.gz WZNMSDSJORQBJW-HUUCEWRRSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057696973 772921316 /nfs/dbraw/zinc/92/13/16/772921316.db2.gz DHEDVLVGBWFWMS-CQSZACIVSA-N 1 1 325.453 0.478 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C#CC(C)C)CC[N@H+]1C ZINC001057746594 772960834 /nfs/dbraw/zinc/96/08/34/772960834.db2.gz ZELVLTDQFQTMQM-JKSUJKDBSA-N 1 1 337.464 0.313 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057786051 772981698 /nfs/dbraw/zinc/98/16/98/772981698.db2.gz DIJZSKPHVCBFBP-HNNXBMFYSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057786051 772981700 /nfs/dbraw/zinc/98/17/00/772981700.db2.gz DIJZSKPHVCBFBP-HNNXBMFYSA-N 1 1 344.419 0.011 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(c2cncc(C#N)n2)CC1 ZINC001057812219 773014975 /nfs/dbraw/zinc/01/49/75/773014975.db2.gz YFUSBPDHIPPNOA-CZUORRHYSA-N 1 1 342.447 0.879 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001057821660 773031414 /nfs/dbraw/zinc/03/14/14/773031414.db2.gz NVTJVAOJGZPTPL-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057864355 773091833 /nfs/dbraw/zinc/09/18/33/773091833.db2.gz NWWVNUXJXFICOM-UHFFFAOYSA-N 1 1 327.469 0.866 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001057874498 773109149 /nfs/dbraw/zinc/10/91/49/773109149.db2.gz NRYMPYNTXZNDPV-CYBMUJFWSA-N 1 1 328.420 0.693 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CCC ZINC001057921350 773187485 /nfs/dbraw/zinc/18/74/85/773187485.db2.gz FZRDUDHSOIOQLH-HNNXBMFYSA-N 1 1 343.468 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C=C(/C)C1CC1 ZINC001057961233 773291475 /nfs/dbraw/zinc/29/14/75/773291475.db2.gz NRJXYLINACGWRE-XUZQSEFNSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C=C(/C)C1CC1 ZINC001057961233 773291481 /nfs/dbraw/zinc/29/14/81/773291481.db2.gz NRJXYLINACGWRE-XUZQSEFNSA-N 1 1 347.459 0.377 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(c3ccnc(C#N)n3)CC2)O1 ZINC001057969213 773307878 /nfs/dbraw/zinc/30/78/78/773307878.db2.gz HYVJLVIECQZUCJ-TZMCWYRMSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(c3ccnc(C#N)n3)CC2)O1 ZINC001057969213 773307886 /nfs/dbraw/zinc/30/78/86/773307886.db2.gz HYVJLVIECQZUCJ-TZMCWYRMSA-N 1 1 344.419 0.152 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001040605154 783089434 /nfs/dbraw/zinc/08/94/34/783089434.db2.gz HJBQKOWYKCWYEA-SFHVURJKSA-N 1 1 337.464 0.601 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCN(c2nccnc2C#N)CC1 ZINC001058043592 773416724 /nfs/dbraw/zinc/41/67/24/773416724.db2.gz YDEBNCQKPILIQY-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCN(c2nccnc2C#N)CC1 ZINC001058043592 773416727 /nfs/dbraw/zinc/41/67/27/773416727.db2.gz YDEBNCQKPILIQY-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCN(c2ccncc2C#N)CC1 ZINC001058043580 773416918 /nfs/dbraw/zinc/41/69/18/773416918.db2.gz XMJCKKXMCTUJPS-KRWDZBQOSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCN(c2ccncc2C#N)CC1 ZINC001058043580 773416921 /nfs/dbraw/zinc/41/69/21/773416921.db2.gz XMJCKKXMCTUJPS-KRWDZBQOSA-N 1 1 343.431 0.711 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058087338 773509182 /nfs/dbraw/zinc/50/91/82/773509182.db2.gz OKHRQSJKDYOEBJ-BBRMVZONSA-N 1 1 342.447 0.973 20 30 ECEDMO C=C(C)CCC(=O)NCCN(CCO)C(=O)CC[NH+]1CCOCC1 ZINC001058097870 773532850 /nfs/dbraw/zinc/53/28/50/773532850.db2.gz WUYKZZZNHPVSIZ-UHFFFAOYSA-N 1 1 341.452 0.002 20 30 ECEDMO C=CCC(CC=C)C(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058110881 773553898 /nfs/dbraw/zinc/55/38/98/773553898.db2.gz AJYWAMLCIZJGRM-UHFFFAOYSA-N 1 1 348.447 0.897 20 30 ECEDMO Cc1ccc(C#N)c(N2CCC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058135041 773605431 /nfs/dbraw/zinc/60/54/31/773605431.db2.gz VDNFTGIHWKCLGR-CVEARBPZSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1ccc(C#N)c(N2CCC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058135041 773605438 /nfs/dbraw/zinc/60/54/38/773605438.db2.gz VDNFTGIHWKCLGR-CVEARBPZSA-N 1 1 343.431 0.677 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058157904 773658825 /nfs/dbraw/zinc/65/88/25/773658825.db2.gz KFMJWYJHDAGKRZ-HZPDHXFCSA-N 1 1 339.480 0.868 20 30 ECEDMO CCc1nc(C#N)cc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058165413 773678422 /nfs/dbraw/zinc/67/84/22/773678422.db2.gz BOJGRQHIVLLRMH-ZIAGYGMSSA-N 1 1 342.447 0.947 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058168187 773685366 /nfs/dbraw/zinc/68/53/66/773685366.db2.gz WTTZMPLWASXZMY-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058168187 773685371 /nfs/dbraw/zinc/68/53/71/773685371.db2.gz WTTZMPLWASXZMY-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058241618 773829579 /nfs/dbraw/zinc/82/95/79/773829579.db2.gz VJODGCHVKZMDHC-KGLIPLIRSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058241753 773830165 /nfs/dbraw/zinc/83/01/65/773830165.db2.gz YWDCCPMKWMMZDZ-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC001058317323 773963228 /nfs/dbraw/zinc/96/32/28/773963228.db2.gz UDQMXCDXUWAWCZ-TZMCWYRMSA-N 1 1 349.822 0.632 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC001058317323 773963237 /nfs/dbraw/zinc/96/32/37/773963237.db2.gz UDQMXCDXUWAWCZ-TZMCWYRMSA-N 1 1 349.822 0.632 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058381325 774067773 /nfs/dbraw/zinc/06/77/73/774067773.db2.gz DSBQSYFONAFVCJ-GJZGRUSLSA-N 1 1 328.420 0.918 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058447068 774200074 /nfs/dbraw/zinc/20/00/74/774200074.db2.gz OORKLHZTSWZKQC-HIFRSBDPSA-N 1 1 328.420 0.916 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058447070 774200460 /nfs/dbraw/zinc/20/04/60/774200460.db2.gz OORKLHZTSWZKQC-ZFWWWQNUSA-N 1 1 328.420 0.916 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)C1 ZINC001058543116 774399129 /nfs/dbraw/zinc/39/91/29/774399129.db2.gz LRXRSTUGMKXRPY-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001058546822 774408366 /nfs/dbraw/zinc/40/83/66/774408366.db2.gz OLGXEGKGCYTFGQ-KGLIPLIRSA-N 1 1 342.447 0.947 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058582419 774474724 /nfs/dbraw/zinc/47/47/24/774474724.db2.gz JAMZSIDRSDEIMV-GJZGRUSLSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncnc(CC)c2F)C1 ZINC001058589813 774492097 /nfs/dbraw/zinc/49/20/97/774492097.db2.gz NFUBBPDOXIWNNF-HIFRSBDPSA-N 1 1 345.422 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncnc(CC)c2F)C1 ZINC001058589813 774492101 /nfs/dbraw/zinc/49/21/01/774492101.db2.gz NFUBBPDOXIWNNF-HIFRSBDPSA-N 1 1 345.422 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(Cl)c(=O)[nH]n2)C1 ZINC001058591183 774493546 /nfs/dbraw/zinc/49/35/46/774493546.db2.gz YKDIXGOASJQPKF-AAEUAGOBSA-N 1 1 349.822 0.628 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(Cl)c(=O)[nH]n2)C1 ZINC001058591183 774493550 /nfs/dbraw/zinc/49/35/50/774493550.db2.gz YKDIXGOASJQPKF-AAEUAGOBSA-N 1 1 349.822 0.628 20 30 ECEDMO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001058597793 774512359 /nfs/dbraw/zinc/51/23/59/774512359.db2.gz QIRCOYMXNZGXFY-DZGCQCFKSA-N 1 1 328.420 0.836 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1)c1nncn1C ZINC001044980370 774795154 /nfs/dbraw/zinc/79/51/54/774795154.db2.gz WJDCVWOPBOSOHS-AAEUAGOBSA-N 1 1 327.392 0.970 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001045003411 774822332 /nfs/dbraw/zinc/82/23/32/774822332.db2.gz SIFRURAPZLYPBT-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(c4nccnc4C#N)[C@H]3C2)C1 ZINC001045041253 774886002 /nfs/dbraw/zinc/88/60/02/774886002.db2.gz LCJOMWKCHMONFL-DZKIICNBSA-N 1 1 340.431 0.727 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001045059638 774912523 /nfs/dbraw/zinc/91/25/23/774912523.db2.gz USVCUPVMTMQDNT-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001045063616 774919484 /nfs/dbraw/zinc/91/94/84/774919484.db2.gz CXCHJYBBWSVRMY-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070015401 790331177 /nfs/dbraw/zinc/33/11/77/790331177.db2.gz WZXGMZIXPCAPDX-OCCSQVGLSA-N 1 1 345.407 0.339 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](n2ccnn2)C1 ZINC001070015401 790331187 /nfs/dbraw/zinc/33/11/87/790331187.db2.gz WZXGMZIXPCAPDX-OCCSQVGLSA-N 1 1 345.407 0.339 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](n2ccnn2)C1 ZINC001070015401 790331199 /nfs/dbraw/zinc/33/11/99/790331199.db2.gz WZXGMZIXPCAPDX-OCCSQVGLSA-N 1 1 345.407 0.339 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nccc(C)n2)nn1 ZINC001045232799 775191699 /nfs/dbraw/zinc/19/16/99/775191699.db2.gz RHKGEUAICLXYLQ-AWEZNQCLSA-N 1 1 341.419 0.957 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043909707 775285331 /nfs/dbraw/zinc/28/53/31/775285331.db2.gz LYZUWQYMHCFJEJ-UHFFFAOYSA-N 1 1 332.404 0.075 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)[C@@H](n2ccnn2)C1 ZINC001070023296 790358593 /nfs/dbraw/zinc/35/85/93/790358593.db2.gz KZVIEVWPUNOJMO-YUELXQCFSA-N 1 1 341.419 0.649 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)[C@@H](n2ccnn2)C1 ZINC001070023296 790358599 /nfs/dbraw/zinc/35/85/99/790358599.db2.gz KZVIEVWPUNOJMO-YUELXQCFSA-N 1 1 341.419 0.649 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(C#N)n2)C1 ZINC001045497746 775704076 /nfs/dbraw/zinc/70/40/76/775704076.db2.gz JHMXXUGPRJVXRR-MGPQQGTHSA-N 1 1 328.420 0.561 20 30 ECEDMO C=CCn1cc(C(=O)NC2(C)CC[NH+](Cc3cnnn3C)CC2)nn1 ZINC001045580813 775828995 /nfs/dbraw/zinc/82/89/95/775828995.db2.gz SIYSYTAJPLFJDJ-UHFFFAOYSA-N 1 1 344.423 0.377 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)nc1 ZINC001044203607 775913651 /nfs/dbraw/zinc/91/36/51/775913651.db2.gz QRKAXWAVUJWPJI-HNNXBMFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CCC1=O ZINC001045735011 776108613 /nfs/dbraw/zinc/10/86/13/776108613.db2.gz JVAHLBHQDBEIDF-MJBXVCDLSA-N 1 1 332.404 0.360 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001044464752 776324446 /nfs/dbraw/zinc/32/44/46/776324446.db2.gz RNVCLIOFZJXZIA-HUUCEWRRSA-N 1 1 349.475 0.905 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O ZINC001044537975 776408004 /nfs/dbraw/zinc/40/80/04/776408004.db2.gz FWZJNJBCWRMZRG-CFVMTHIKSA-N 1 1 329.404 0.103 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001079773197 776841013 /nfs/dbraw/zinc/84/10/13/776841013.db2.gz BGIDYIJVVXAPGG-GOEBONIOSA-N 1 1 335.448 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1C ZINC001079878435 777011697 /nfs/dbraw/zinc/01/16/97/777011697.db2.gz YTRSOYRSUBYZFR-OAGGEKHMSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1C ZINC001079878435 777011704 /nfs/dbraw/zinc/01/17/04/777011704.db2.gz YTRSOYRSUBYZFR-OAGGEKHMSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001070072004 790508135 /nfs/dbraw/zinc/50/81/35/790508135.db2.gz WNJBDEDTTJFIQL-CVEARBPZSA-N 1 1 341.419 0.102 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001079980650 777186739 /nfs/dbraw/zinc/18/67/39/777186739.db2.gz VCEACHQIZRACJS-DGCLKSJQSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COCCC=C)C1 ZINC001080008852 777221842 /nfs/dbraw/zinc/22/18/42/777221842.db2.gz GFHZCGBJUZXBSX-KRWDZBQOSA-N 1 1 347.459 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COCCC=C)C1 ZINC001080008852 777221850 /nfs/dbraw/zinc/22/18/50/777221850.db2.gz GFHZCGBJUZXBSX-KRWDZBQOSA-N 1 1 347.459 0.736 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@](C)(O)C=C)C1 ZINC001080009310 777222529 /nfs/dbraw/zinc/22/25/29/777222529.db2.gz YAYVUHHXOMTBCJ-QFBILLFUSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@](C)(O)C=C)C1 ZINC001080009310 777222535 /nfs/dbraw/zinc/22/25/35/777222535.db2.gz YAYVUHHXOMTBCJ-QFBILLFUSA-N 1 1 347.459 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001080019057 777242423 /nfs/dbraw/zinc/24/24/23/777242423.db2.gz ZFDNZJLQOHECGK-MLGOLLRUSA-N 1 1 340.387 0.957 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001080019057 777242426 /nfs/dbraw/zinc/24/24/26/777242426.db2.gz ZFDNZJLQOHECGK-MLGOLLRUSA-N 1 1 340.387 0.957 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001080019057 777242433 /nfs/dbraw/zinc/24/24/33/777242433.db2.gz ZFDNZJLQOHECGK-MLGOLLRUSA-N 1 1 340.387 0.957 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OCC(N)=O)C1 ZINC001080085886 777362098 /nfs/dbraw/zinc/36/20/98/777362098.db2.gz KYFDZJLCJFUSIP-UKRRQHHQSA-N 1 1 329.400 0.624 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080141304 777451605 /nfs/dbraw/zinc/45/16/05/777451605.db2.gz CZUSCLSZHFJDII-OIISXLGYSA-N 1 1 349.475 0.979 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(CC)C1CN(C(=O)CSCC#N)C1 ZINC001080191166 777526749 /nfs/dbraw/zinc/52/67/49/777526749.db2.gz ADGJGPIVQCLCAE-UHFFFAOYSA-N 1 1 326.466 0.644 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001080206143 777555852 /nfs/dbraw/zinc/55/58/52/777555852.db2.gz LODOQQBNHBPSQT-IJEWVQPXSA-N 1 1 330.432 0.997 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001080231503 777585927 /nfs/dbraw/zinc/58/59/27/777585927.db2.gz LSYKNLTXVMRKLW-ZYHUDNBSSA-N 1 1 330.396 0.320 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2C)cc1 ZINC001080244891 777601920 /nfs/dbraw/zinc/60/19/20/777601920.db2.gz QPOHEHXUMCIQKB-DAXOMENPSA-N 1 1 339.395 0.523 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2C)cc1 ZINC001080244891 777601923 /nfs/dbraw/zinc/60/19/23/777601923.db2.gz QPOHEHXUMCIQKB-DAXOMENPSA-N 1 1 339.395 0.523 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261175 777622319 /nfs/dbraw/zinc/62/23/19/777622319.db2.gz FDMYAFZKLGMWFG-DIOULYMOSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261175 777622324 /nfs/dbraw/zinc/62/23/24/777622324.db2.gz FDMYAFZKLGMWFG-DIOULYMOSA-N 1 1 344.390 0.770 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001080284751 777645688 /nfs/dbraw/zinc/64/56/88/777645688.db2.gz NCAMNGOIRZZOEX-KFWWJZLASA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001080284751 777645691 /nfs/dbraw/zinc/64/56/91/777645691.db2.gz NCAMNGOIRZZOEX-KFWWJZLASA-N 1 1 345.447 0.566 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C1CN(C(=O)C#CC(C)C)C1 ZINC001080322833 777683589 /nfs/dbraw/zinc/68/35/89/777683589.db2.gz QQNGSJLZDNGBNR-QGZVFWFLSA-N 1 1 349.475 0.814 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)C1CN(C(=O)C#CC(C)C)C1 ZINC001080322833 777683594 /nfs/dbraw/zinc/68/35/94/777683594.db2.gz QQNGSJLZDNGBNR-QGZVFWFLSA-N 1 1 349.475 0.814 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C1CN(C(=O)C#CC(C)C)C1 ZINC001080322832 777683668 /nfs/dbraw/zinc/68/36/68/777683668.db2.gz QQNGSJLZDNGBNR-KRWDZBQOSA-N 1 1 349.475 0.814 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C1CN(C(=O)C#CC(C)C)C1 ZINC001080322832 777683675 /nfs/dbraw/zinc/68/36/75/777683675.db2.gz QQNGSJLZDNGBNR-KRWDZBQOSA-N 1 1 349.475 0.814 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC(N(CC)C(=O)CC[NH+](C)C)C2)CC1 ZINC001080444818 777866935 /nfs/dbraw/zinc/86/69/35/777866935.db2.gz VMKQDDKGUGHXRG-UHFFFAOYSA-N 1 1 348.491 0.343 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458920 777890418 /nfs/dbraw/zinc/89/04/18/777890418.db2.gz JUSXESZJBMUOLE-VDNDLQMASA-N 1 1 343.402 0.735 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458920 777890429 /nfs/dbraw/zinc/89/04/29/777890429.db2.gz JUSXESZJBMUOLE-VDNDLQMASA-N 1 1 343.402 0.735 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC001068563392 790576512 /nfs/dbraw/zinc/57/65/12/790576512.db2.gz QBXWDRCVOJBKEQ-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001070093850 790580555 /nfs/dbraw/zinc/58/05/55/790580555.db2.gz KAQCBCGVFVSUOH-CVEARBPZSA-N 1 1 346.435 0.064 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001070093850 790580557 /nfs/dbraw/zinc/58/05/57/790580557.db2.gz KAQCBCGVFVSUOH-CVEARBPZSA-N 1 1 346.435 0.064 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001043235387 778025126 /nfs/dbraw/zinc/02/51/26/778025126.db2.gz OPOXGSFMRHZOAF-JKSUJKDBSA-N 1 1 347.459 0.496 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1cncc(C#N)n1 ZINC001043250524 778046435 /nfs/dbraw/zinc/04/64/35/778046435.db2.gz DQTPSBBQPKSBLQ-UMVBOHGHSA-N 1 1 328.420 0.949 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2C)nn1 ZINC001080589895 778101668 /nfs/dbraw/zinc/10/16/68/778101668.db2.gz RAMYECRGNFCUJH-RBSFLKMASA-N 1 1 333.436 0.941 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043311172 778140040 /nfs/dbraw/zinc/14/00/40/778140040.db2.gz PSICEKRGGWIIJF-HOTGVXAUSA-N 1 1 349.475 0.907 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)nn2)C1 ZINC001043403122 778281171 /nfs/dbraw/zinc/28/11/71/778281171.db2.gz BHNIRNAMLUTQNR-BXUZGUMPSA-N 1 1 325.376 0.812 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001043430936 778317424 /nfs/dbraw/zinc/31/74/24/778317424.db2.gz OIMXGEFGZAAKCN-INIZCTEOSA-N 1 1 325.453 0.618 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001043434225 778327814 /nfs/dbraw/zinc/32/78/14/778327814.db2.gz ZVGZSQQXPXAEHD-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC001070108498 790630471 /nfs/dbraw/zinc/63/04/71/790630471.db2.gz FFUPBZSFZPUIEZ-HOTGVXAUSA-N 1 1 349.475 0.625 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)nn2)C1 ZINC001043590311 778553862 /nfs/dbraw/zinc/55/38/62/778553862.db2.gz MKNJOWFAJSILJI-BMFZPTHFSA-N 1 1 338.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)nn2)C1 ZINC001043590311 778553867 /nfs/dbraw/zinc/55/38/67/778553867.db2.gz MKNJOWFAJSILJI-BMFZPTHFSA-N 1 1 338.415 0.705 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001043661353 778682590 /nfs/dbraw/zinc/68/25/90/778682590.db2.gz QHBRODYUVSILJA-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21 ZINC001043679072 778709482 /nfs/dbraw/zinc/70/94/82/778709482.db2.gz YCWYZRHUXJUUJQ-YESZJQIVSA-N 1 1 341.415 0.463 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001043679764 778711253 /nfs/dbraw/zinc/71/12/53/778711253.db2.gz MTJCBTRLWGKMFG-HOTGVXAUSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043771765 778845918 /nfs/dbraw/zinc/84/59/18/778845918.db2.gz YNTCFWYBEPNFFL-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070116137 790658734 /nfs/dbraw/zinc/65/87/34/790658734.db2.gz PBFJWJOHCJBVOG-KFWWJZLASA-N 1 1 331.420 0.622 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070116137 790658737 /nfs/dbraw/zinc/65/87/37/790658737.db2.gz PBFJWJOHCJBVOG-KFWWJZLASA-N 1 1 331.420 0.622 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1(CNC(=O)C#CC(C)C)CCOCC1 ZINC001070123623 790690396 /nfs/dbraw/zinc/69/03/96/790690396.db2.gz WNJBQYNXCZLTIE-UHFFFAOYSA-N 1 1 346.431 0.633 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001042272143 779953645 /nfs/dbraw/zinc/95/36/45/779953645.db2.gz MAEKXSMACUNVKB-KGLIPLIRSA-N 1 1 334.420 0.427 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnon3)C2)nc1 ZINC001078500456 780027261 /nfs/dbraw/zinc/02/72/61/780027261.db2.gz NXUSNSDSBSINBK-OAHLLOKOSA-N 1 1 341.371 0.467 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 ZINC001068631346 790755496 /nfs/dbraw/zinc/75/54/96/790755496.db2.gz DJWYIUIPFMTIKO-UONOGXRCSA-N 1 1 336.436 0.364 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC001042333433 780087269 /nfs/dbraw/zinc/08/72/69/780087269.db2.gz OPCQKGHIZLZBKK-QWHCGFSZSA-N 1 1 334.420 0.426 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 ZINC001042333013 780087699 /nfs/dbraw/zinc/08/76/99/780087699.db2.gz MPUGMKZBCWSBBN-GJZGRUSLSA-N 1 1 333.436 0.389 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]21 ZINC001042354438 780126967 /nfs/dbraw/zinc/12/69/67/780126967.db2.gz SFVPKZNPJSIYMM-OCCSQVGLSA-N 1 1 332.404 0.598 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(CC(=O)NC)[C@H]3C2)CC1 ZINC001042368534 780155815 /nfs/dbraw/zinc/15/58/15/780155815.db2.gz QWRPONBJLJOUGR-RDJZCZTQSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]21 ZINC001042388350 780191680 /nfs/dbraw/zinc/19/16/80/780191680.db2.gz NTUHHGPKEJSUBC-CZUORRHYSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]21 ZINC001042388348 780191938 /nfs/dbraw/zinc/19/19/38/780191938.db2.gz NTUHHGPKEJSUBC-CJNGLKHVSA-N 1 1 326.400 0.740 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2cc(F)ccc2C#N)C1 ZINC001042573501 780466491 /nfs/dbraw/zinc/46/64/91/780466491.db2.gz KSNUDJDHJYEUQN-QGZVFWFLSA-N 1 1 346.406 0.671 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2cc(F)ccc2C#N)C1 ZINC001042573501 780466493 /nfs/dbraw/zinc/46/64/93/780466493.db2.gz KSNUDJDHJYEUQN-QGZVFWFLSA-N 1 1 346.406 0.671 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@H]1C ZINC001042621357 780542503 /nfs/dbraw/zinc/54/25/03/780542503.db2.gz PXTXRVXKMQNTHF-BMFZPTHFSA-N 1 1 327.432 0.824 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@H]1C ZINC001042621357 780542509 /nfs/dbraw/zinc/54/25/09/780542509.db2.gz PXTXRVXKMQNTHF-BMFZPTHFSA-N 1 1 327.432 0.824 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001042663650 780606295 /nfs/dbraw/zinc/60/62/95/780606295.db2.gz AVZKSLFQRJJMRH-UHFFFAOYSA-N 1 1 332.404 0.075 20 30 ECEDMO C#CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001078934035 780626710 /nfs/dbraw/zinc/62/67/10/780626710.db2.gz JZFFYCQRJMZLSO-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001078934035 780626716 /nfs/dbraw/zinc/62/67/16/780626716.db2.gz JZFFYCQRJMZLSO-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001078964668 780660248 /nfs/dbraw/zinc/66/02/48/780660248.db2.gz UCHDEIBKMLZOIZ-HZPDHXFCSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001042715086 780682110 /nfs/dbraw/zinc/68/21/10/780682110.db2.gz MRERZJLRNLXQBY-DLBZAZTESA-N 1 1 348.491 0.789 20 30 ECEDMO C[N@@H+](CC(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21)C1CCC1 ZINC001079246162 780919190 /nfs/dbraw/zinc/91/91/90/780919190.db2.gz SVWTWZMIRAUHKW-DLBZAZTESA-N 1 1 346.475 0.934 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C)OCC)C1 ZINC001079367594 781035334 /nfs/dbraw/zinc/03/53/34/781035334.db2.gz HRJGTNMCZJHSNG-HOCLYGCPSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C)OCC)C1 ZINC001079367594 781035339 /nfs/dbraw/zinc/03/53/39/781035339.db2.gz HRJGTNMCZJHSNG-HOCLYGCPSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ncnn2CCC)C1 ZINC001042959946 781101180 /nfs/dbraw/zinc/10/11/80/781101180.db2.gz HFDDMPFXILOSAL-INIZCTEOSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ncnn2CCC)C1 ZINC001042959946 781101183 /nfs/dbraw/zinc/10/11/83/781101183.db2.gz HFDDMPFXILOSAL-INIZCTEOSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cnc(C)nc2)C1 ZINC001042960641 781102728 /nfs/dbraw/zinc/10/27/28/781102728.db2.gz RCQGODNRNHDUOE-KRWDZBQOSA-N 1 1 327.432 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cnc(C)nc2)C1 ZINC001042960641 781102730 /nfs/dbraw/zinc/10/27/30/781102730.db2.gz RCQGODNRNHDUOE-KRWDZBQOSA-N 1 1 327.432 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2nncn2C)C1 ZINC001042960637 781102738 /nfs/dbraw/zinc/10/27/38/781102738.db2.gz RCFOOLBQLWRXIG-HIFRSBDPSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2nncn2C)C1 ZINC001042960637 781102739 /nfs/dbraw/zinc/10/27/39/781102739.db2.gz RCFOOLBQLWRXIG-HIFRSBDPSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCc2ccns2)C1 ZINC001042962134 781104644 /nfs/dbraw/zinc/10/46/44/781104644.db2.gz DNSNCWPSUHHSCK-INIZCTEOSA-N 1 1 332.473 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCc2ccns2)C1 ZINC001042962134 781104650 /nfs/dbraw/zinc/10/46/50/781104650.db2.gz DNSNCWPSUHHSCK-INIZCTEOSA-N 1 1 332.473 0.926 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079447960 781129619 /nfs/dbraw/zinc/12/96/19/781129619.db2.gz YQUCTAQCEDYJJO-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCCCOC)C1 ZINC001079455700 781139211 /nfs/dbraw/zinc/13/92/11/781139211.db2.gz XFIYBNUJQDTCEA-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCCCOC)C1 ZINC001079455700 781139214 /nfs/dbraw/zinc/13/92/14/781139214.db2.gz XFIYBNUJQDTCEA-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001079505254 781199377 /nfs/dbraw/zinc/19/93/77/781199377.db2.gz PDLSEYOKWKKUNX-FVQBIDKESA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001079505254 781199384 /nfs/dbraw/zinc/19/93/84/781199384.db2.gz PDLSEYOKWKKUNX-FVQBIDKESA-N 1 1 345.447 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)CC=C)C1 ZINC001043061623 781259366 /nfs/dbraw/zinc/25/93/66/781259366.db2.gz LHXIBZSSTWAJTD-HNNXBMFYSA-N 1 1 347.459 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)CC=C)C1 ZINC001043061623 781259371 /nfs/dbraw/zinc/25/93/71/781259371.db2.gz LHXIBZSSTWAJTD-HNNXBMFYSA-N 1 1 347.459 0.376 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001079588922 781291379 /nfs/dbraw/zinc/29/13/79/781291379.db2.gz PQEJWJWBZXSARF-BDJLRTHQSA-N 1 1 341.419 0.845 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592489 781295747 /nfs/dbraw/zinc/29/57/47/781295747.db2.gz IPVHCDAFKODCNL-MLGOLLRUSA-N 1 1 339.399 0.835 20 30 ECEDMO C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077625383 781374272 /nfs/dbraw/zinc/37/42/72/781374272.db2.gz DYYUTWJMSLPIAJ-QCTRZYONSA-N 1 1 347.459 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001077632367 781387798 /nfs/dbraw/zinc/38/77/98/781387798.db2.gz PWWLYIXVHRDHSG-BBRMVZONSA-N 1 1 328.416 0.782 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2O)CC[N@H+]1C ZINC001041388008 781411509 /nfs/dbraw/zinc/41/15/09/781411509.db2.gz MLJHGDNLVRGFPS-YLFCFFPRSA-N 1 1 343.431 0.349 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001077651081 781426501 /nfs/dbraw/zinc/42/65/01/781426501.db2.gz QOTLEXFGKLBMPX-HZPDHXFCSA-N 1 1 331.416 0.456 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)C[N@H+](C)CCC)nn1 ZINC001077665454 781460033 /nfs/dbraw/zinc/46/00/33/781460033.db2.gz UNLSRZNCVXRKEO-ZDUSSCGKSA-N 1 1 336.440 0.431 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1O ZINC001077694439 781530839 /nfs/dbraw/zinc/53/08/39/781530839.db2.gz SBKFEPKGIODGDL-VQHPVUNQSA-N 1 1 331.416 0.642 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1O ZINC001077694439 781530846 /nfs/dbraw/zinc/53/08/46/781530846.db2.gz SBKFEPKGIODGDL-VQHPVUNQSA-N 1 1 331.416 0.642 20 30 ECEDMO Cc1ccn(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001077694839 781531837 /nfs/dbraw/zinc/53/18/37/781531837.db2.gz LDBRJYPXNPQPEU-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001077694839 781531843 /nfs/dbraw/zinc/53/18/43/781531843.db2.gz LDBRJYPXNPQPEU-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708355 781558148 /nfs/dbraw/zinc/55/81/48/781558148.db2.gz FKCWBFODPDZQJK-XMTFNYHQSA-N 1 1 327.428 0.126 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cnc4c(c3)nnn4C)C2)C1 ZINC001041476401 781590279 /nfs/dbraw/zinc/59/02/79/781590279.db2.gz QMAOOBBZCCDKCQ-GOSISDBHSA-N 1 1 338.415 0.925 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001041504917 781650649 /nfs/dbraw/zinc/65/06/49/781650649.db2.gz HJFSOKFHUALRDC-WMLDXEAASA-N 1 1 343.431 0.934 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCCS3(=O)=O)C2)C1 ZINC001041510168 781667209 /nfs/dbraw/zinc/66/72/09/781667209.db2.gz VDHABJVQBUGLME-NVXWUHKLSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)co2)C1 ZINC001077780606 781682943 /nfs/dbraw/zinc/68/29/43/781682943.db2.gz ZBFVDYOTKQIHHT-GHMZBOCLSA-N 1 1 327.178 0.840 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)co2)C1 ZINC001077780606 781682947 /nfs/dbraw/zinc/68/29/47/781682947.db2.gz ZBFVDYOTKQIHHT-GHMZBOCLSA-N 1 1 327.178 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ccccc3C(N)=O)C2)C1 ZINC001041531807 781713359 /nfs/dbraw/zinc/71/33/59/781713359.db2.gz KHURQYIUQZNURS-IBGZPJMESA-N 1 1 325.412 0.886 20 30 ECEDMO NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001041618175 781864915 /nfs/dbraw/zinc/86/49/15/781864915.db2.gz SAJJJWNTTGRHCY-SFHVURJKSA-N 1 1 329.375 0.587 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCCO1 ZINC001039907841 783256394 /nfs/dbraw/zinc/25/63/94/783256394.db2.gz KGJYAKPECQVNKP-CABCVRRESA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCCO1 ZINC001039908370 783259080 /nfs/dbraw/zinc/25/90/80/783259080.db2.gz XVSNPGBJKMYXQQ-GJZGRUSLSA-N 1 1 344.419 0.154 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001040726412 783335383 /nfs/dbraw/zinc/33/53/83/783335383.db2.gz DYCCKLBCGRAQHU-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)CC[N@H+](C)CC)CCOCC1 ZINC001070249797 783738823 /nfs/dbraw/zinc/73/88/23/783738823.db2.gz AOFNHIAHKBSNSC-UHFFFAOYSA-N 1 1 337.464 0.913 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](NCC#N)[C@@H](n3ccnn3)C2)C1 ZINC001070258298 783755632 /nfs/dbraw/zinc/75/56/32/783755632.db2.gz OCTGDMZZLRRXAD-OAGGEKHMSA-N 1 1 345.451 0.265 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1n1ccnn1 ZINC001070269606 783770953 /nfs/dbraw/zinc/77/09/53/783770953.db2.gz QZJZSUUEEQAAIF-MNOVXSKESA-N 1 1 339.762 0.548 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001070311075 783816443 /nfs/dbraw/zinc/81/64/43/783816443.db2.gz MOKQTNHFPAJFFW-KGLIPLIRSA-N 1 1 343.435 0.897 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001070385379 783929515 /nfs/dbraw/zinc/92/95/15/783929515.db2.gz QOIQIOHSSDWTFQ-LSDHHAIUSA-N 1 1 344.415 0.616 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001070387196 783933630 /nfs/dbraw/zinc/93/36/30/783933630.db2.gz ATEHDMXWHIPPAJ-UONOGXRCSA-N 1 1 345.403 0.018 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C(N)=O)cc2)c[nH]1 ZINC001038173846 783949433 /nfs/dbraw/zinc/94/94/33/783949433.db2.gz CUNQJJIWPLHTNI-MRXNPFEDSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C(N)=O)cc2)c[nH]1 ZINC001038173846 783949439 /nfs/dbraw/zinc/94/94/39/783949439.db2.gz CUNQJJIWPLHTNI-MRXNPFEDSA-N 1 1 337.383 0.990 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COCCO2)C1 ZINC001070398281 783964646 /nfs/dbraw/zinc/96/46/46/783964646.db2.gz QCJSZIXYYZMCAY-DZGCQCFKSA-N 1 1 332.404 0.254 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001070402940 783975773 /nfs/dbraw/zinc/97/57/73/783975773.db2.gz IEJYKJVKEXXFQU-UKRRQHHQSA-N 1 1 333.436 0.332 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCO)C2)c1 ZINC001070403279 783977156 /nfs/dbraw/zinc/97/71/56/783977156.db2.gz PAECYOMXGLBCKV-GFCCVEGCSA-N 1 1 328.376 0.321 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2N)C1 ZINC001070406345 783987572 /nfs/dbraw/zinc/98/75/72/783987572.db2.gz SAUOIZFFEQYNIW-LBPRGKRZSA-N 1 1 341.419 0.468 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ncn(C)n2)C1 ZINC001070407786 783991598 /nfs/dbraw/zinc/99/15/98/783991598.db2.gz JQGHQYXAEUTUAE-GFCCVEGCSA-N 1 1 329.408 0.834 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)nn2)C1 ZINC001070408584 783994256 /nfs/dbraw/zinc/99/42/56/783994256.db2.gz WRGGFDRZDCVSAM-LBPRGKRZSA-N 1 1 327.392 0.281 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001070411167 784000294 /nfs/dbraw/zinc/00/02/94/784000294.db2.gz FLYKHKYRDVBSKR-UONOGXRCSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CC#C)C1 ZINC001070412844 784007117 /nfs/dbraw/zinc/00/71/17/784007117.db2.gz LSBYNWJZPOFCMS-WBVHZDCISA-N 1 1 339.443 0.546 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001070414597 784014524 /nfs/dbraw/zinc/01/45/24/784014524.db2.gz QHQMIDQHMGYUFF-NSHDSACASA-N 1 1 328.376 0.499 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001070422648 784034307 /nfs/dbraw/zinc/03/43/07/784034307.db2.gz FISFGEHTUYWECI-GFCCVEGCSA-N 1 1 340.387 0.236 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001070423303 784036948 /nfs/dbraw/zinc/03/69/48/784036948.db2.gz VVOSNENWLYLMCT-NSHDSACASA-N 1 1 328.376 0.398 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001070424309 784039827 /nfs/dbraw/zinc/03/98/27/784039827.db2.gz HMMFBZZFWZZYMG-FPMFFAJLSA-N 1 1 347.419 0.034 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cncc(OC)n2)C1 ZINC001070427682 784044135 /nfs/dbraw/zinc/04/41/35/784044135.db2.gz AWDJJASUWARNTC-GFCCVEGCSA-N 1 1 340.387 0.561 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001070432680 784056207 /nfs/dbraw/zinc/05/62/07/784056207.db2.gz NQOITGZWEVMRFC-JSGCOSHPSA-N 1 1 331.420 0.670 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001070907625 784094631 /nfs/dbraw/zinc/09/46/31/784094631.db2.gz UKWFHSVTUSYNTN-CFVMTHIKSA-N 1 1 346.387 0.970 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001070907625 784094637 /nfs/dbraw/zinc/09/46/37/784094637.db2.gz UKWFHSVTUSYNTN-CFVMTHIKSA-N 1 1 346.387 0.970 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)Cc1cnoc1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070447463 784102876 /nfs/dbraw/zinc/10/28/76/784102876.db2.gz LGYAJPBSPORGTL-CQSZACIVSA-N 1 1 342.403 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](OC)C(C)C)C1 ZINC001070921689 784118930 /nfs/dbraw/zinc/11/89/30/784118930.db2.gz JASZJGCRSZQPAY-IKGGRYGDSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](OC)C(C)C)C1 ZINC001070921689 784118933 /nfs/dbraw/zinc/11/89/33/784118933.db2.gz JASZJGCRSZQPAY-IKGGRYGDSA-N 1 1 349.475 0.862 20 30 ECEDMO Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cn(C)cn1 ZINC001070476229 784157996 /nfs/dbraw/zinc/15/79/96/784157996.db2.gz CVMFCIBDWJWBGK-DETPVDSQSA-N 1 1 342.403 0.960 20 30 ECEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cn(C)cn2)no1 ZINC001070476339 784158228 /nfs/dbraw/zinc/15/82/28/784158228.db2.gz IDBRLCWYRALVQX-HZUKXOBISA-N 1 1 342.403 0.960 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC001070942002 784177814 /nfs/dbraw/zinc/17/78/14/784177814.db2.gz LVTLJUIJTBBCRJ-INIZCTEOSA-N 1 1 335.448 0.619 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC001070942002 784177820 /nfs/dbraw/zinc/17/78/20/784177820.db2.gz LVTLJUIJTBBCRJ-INIZCTEOSA-N 1 1 335.448 0.619 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)no1 ZINC001070945643 784188191 /nfs/dbraw/zinc/18/81/91/784188191.db2.gz RXGYGICPJWDZFG-CQSZACIVSA-N 1 1 344.415 0.870 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC001070946236 784189234 /nfs/dbraw/zinc/18/92/34/784189234.db2.gz ZLKJNAJXYUYNGI-ZIAGYGMSSA-N 1 1 337.420 0.022 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1 ZINC001070498182 784194041 /nfs/dbraw/zinc/19/40/41/784194041.db2.gz CYKXYWQHZVQRGA-UAGQMJEPSA-N 1 1 344.463 0.702 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001070950378 784203691 /nfs/dbraw/zinc/20/36/91/784203691.db2.gz URACJCKAGAXKML-UHFFFAOYSA-N 1 1 332.404 0.627 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001070950378 784203697 /nfs/dbraw/zinc/20/36/97/784203697.db2.gz URACJCKAGAXKML-UHFFFAOYSA-N 1 1 332.404 0.627 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001070950396 784204369 /nfs/dbraw/zinc/20/43/69/784204369.db2.gz VAZCCZUHCFSSKV-UHFFFAOYSA-N 1 1 332.404 0.627 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001070953287 784210478 /nfs/dbraw/zinc/21/04/78/784210478.db2.gz GPVRGFWRSKHHCY-KGLIPLIRSA-N 1 1 338.477 0.835 20 30 ECEDMO COC[C@@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955663 784218779 /nfs/dbraw/zinc/21/87/79/784218779.db2.gz XJBCWPWUJIIBJS-CYBMUJFWSA-N 1 1 347.419 0.185 20 30 ECEDMO COC[C@@H](C)[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955663 784218783 /nfs/dbraw/zinc/21/87/83/784218783.db2.gz XJBCWPWUJIIBJS-CYBMUJFWSA-N 1 1 347.419 0.185 20 30 ECEDMO COC[C@@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956176 784220701 /nfs/dbraw/zinc/22/07/01/784220701.db2.gz IKMXORHBFOVGGM-CYBMUJFWSA-N 1 1 347.419 0.185 20 30 ECEDMO COC[C@@H](C)[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956176 784220707 /nfs/dbraw/zinc/22/07/07/784220707.db2.gz IKMXORHBFOVGGM-CYBMUJFWSA-N 1 1 347.419 0.185 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CC2OCCCO2)CC1 ZINC001070957596 784226266 /nfs/dbraw/zinc/22/62/66/784226266.db2.gz MQXDLNUCUJVGQF-UHFFFAOYSA-N 1 1 339.436 0.366 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cn(C)cn1 ZINC001070546510 784253643 /nfs/dbraw/zinc/25/36/43/784253643.db2.gz AQEVHKDYACCTMZ-SMDDNHRTSA-N 1 1 349.826 0.499 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC001070968274 784260567 /nfs/dbraw/zinc/26/05/67/784260567.db2.gz WZAHHSVFTQHIMD-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC001070968274 784260570 /nfs/dbraw/zinc/26/05/70/784260570.db2.gz WZAHHSVFTQHIMD-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070553789 784264800 /nfs/dbraw/zinc/26/48/00/784264800.db2.gz GNZSNDPDSYKTRP-HLLBOEOZSA-N 1 1 329.448 0.279 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070553789 784264808 /nfs/dbraw/zinc/26/48/08/784264808.db2.gz GNZSNDPDSYKTRP-HLLBOEOZSA-N 1 1 329.448 0.279 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(=O)NCC[N@@H+](C[C@H](C)OC)CC1 ZINC001070985088 784325700 /nfs/dbraw/zinc/32/57/00/784325700.db2.gz GEKPBPLXYUNNKZ-AWEZNQCLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(=O)NCC[N@H+](C[C@H](C)OC)CC1 ZINC001070985088 784325705 /nfs/dbraw/zinc/32/57/05/784325705.db2.gz GEKPBPLXYUNNKZ-AWEZNQCLSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001071008195 784394325 /nfs/dbraw/zinc/39/43/25/784394325.db2.gz MXIRBAYPNJHJHJ-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2nccn2)n1 ZINC001070596560 784407826 /nfs/dbraw/zinc/40/78/26/784407826.db2.gz NLVAZAPJMISNAO-KBPBESRZSA-N 1 1 345.407 0.389 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]n2)n1 ZINC001070598289 784410840 /nfs/dbraw/zinc/41/08/40/784410840.db2.gz XATVHUODRIQXAV-STQMWFEESA-N 1 1 345.407 0.919 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC001071014293 784416043 /nfs/dbraw/zinc/41/60/43/784416043.db2.gz HMNSRLGVOGPWQX-YJBOKZPZSA-N 1 1 335.448 0.640 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnon2)n1 ZINC001070605338 784425151 /nfs/dbraw/zinc/42/51/51/784425151.db2.gz IPQURGQZDARIMI-NWDGAFQWSA-N 1 1 332.364 0.794 20 30 ECEDMO C=C(Cl)CN1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001071022126 784444929 /nfs/dbraw/zinc/44/49/29/784444929.db2.gz WELBYQAAVWOILW-AWEZNQCLSA-N 1 1 342.871 0.341 20 30 ECEDMO C=C(Cl)CN1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071022127 784445027 /nfs/dbraw/zinc/44/50/27/784445027.db2.gz WELBYQAAVWOILW-CQSZACIVSA-N 1 1 342.871 0.341 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001071022857 784447257 /nfs/dbraw/zinc/44/72/57/784447257.db2.gz FAYHSQOISPKOFD-QGZVFWFLSA-N 1 1 348.491 0.535 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC001071022890 784448168 /nfs/dbraw/zinc/44/81/68/784448168.db2.gz GSGRNJFHHAOKEU-UHFFFAOYSA-N 1 1 345.447 0.255 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC001071022890 784448174 /nfs/dbraw/zinc/44/81/74/784448174.db2.gz GSGRNJFHHAOKEU-UHFFFAOYSA-N 1 1 345.447 0.255 20 30 ECEDMO CC(C)(C)C#CC(=O)N1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001070710118 784578440 /nfs/dbraw/zinc/57/84/40/784578440.db2.gz MMQKXSVONKIQFT-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1)C[C@H](C)O2 ZINC001071142452 784593361 /nfs/dbraw/zinc/59/33/61/784593361.db2.gz QKVQJSRYBRZPAN-MAUKXSAKSA-N 1 1 330.432 0.678 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 ZINC001071144565 784597461 /nfs/dbraw/zinc/59/74/61/784597461.db2.gz PXQZMYQGOCMLCL-GDBMZVCRSA-N 1 1 344.477 0.689 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001070725688 784600941 /nfs/dbraw/zinc/60/09/41/784600941.db2.gz QHYUHBYAKISJMQ-YESZJQIVSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001070729557 784612630 /nfs/dbraw/zinc/61/26/30/784612630.db2.gz QOMPNEZTJZZYAB-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@@H](C)O2 ZINC001071158846 784623779 /nfs/dbraw/zinc/62/37/79/784623779.db2.gz CCQKPHAURLYTOZ-DYVFJYSZSA-N 1 1 333.436 0.884 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@H](C)O2 ZINC001071158847 784624976 /nfs/dbraw/zinc/62/49/76/784624976.db2.gz CCQKPHAURLYTOZ-GUYCJALGSA-N 1 1 333.436 0.884 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@@H](C)O2 ZINC001071162579 784634020 /nfs/dbraw/zinc/63/40/20/784634020.db2.gz VSXUBCOPXZGIFQ-DYVFJYSZSA-N 1 1 333.436 0.884 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COc1cc(C)on1)C[C@@H](C)O2 ZINC001071175586 784664213 /nfs/dbraw/zinc/66/42/13/784664213.db2.gz HEYQLGAPIAOBPG-PBHICJAKSA-N 1 1 333.388 0.687 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)cn1C)C[C@H](C)O2 ZINC001071185598 784689029 /nfs/dbraw/zinc/68/90/29/784689029.db2.gz JIGQEIRRQRKDOD-UGSOOPFHSA-N 1 1 346.431 0.615 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc3ncnn31)C[C@H](C)O2 ZINC001071186677 784691184 /nfs/dbraw/zinc/69/11/84/784691184.db2.gz WJJBDEXKSBQEJN-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@@H](C)O2 ZINC001071189487 784694315 /nfs/dbraw/zinc/69/43/15/784694315.db2.gz LUJNMAFXWACRTF-CXAGYDPISA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@@H](C)O2 ZINC001071189487 784694319 /nfs/dbraw/zinc/69/43/19/784694319.db2.gz LUJNMAFXWACRTF-CXAGYDPISA-N 1 1 332.404 0.367 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3nccn3c1)C[C@H](C)O2 ZINC001071190367 784698172 /nfs/dbraw/zinc/69/81/72/784698172.db2.gz YEYZAOFHVNTRCK-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@H](C)O2 ZINC001071191399 784702135 /nfs/dbraw/zinc/70/21/35/784702135.db2.gz FVHJHTODWUKPGX-SCLBCKFNSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001070808232 784703399 /nfs/dbraw/zinc/70/33/99/784703399.db2.gz FKAMPZBPWHSGIC-IXDOHACOSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nn(C)c1C)C[C@@H](C)O2 ZINC001071194009 784708176 /nfs/dbraw/zinc/70/81/76/784708176.db2.gz APXRKHJLRKHGDH-ACJLOTCBSA-N 1 1 330.432 0.976 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nccn1C)C[C@H](C)O2 ZINC001071194746 784710766 /nfs/dbraw/zinc/71/07/66/784710766.db2.gz NQCFRIWBGLSLMA-MAUKXSAKSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)C[C@H](C)O2 ZINC001071197500 784715345 /nfs/dbraw/zinc/71/53/45/784715345.db2.gz UGRBEKRPBWNIQJ-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)C[C@H](C)O2 ZINC001071197500 784715348 /nfs/dbraw/zinc/71/53/48/784715348.db2.gz UGRBEKRPBWNIQJ-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)n1C)C[C@H](C)O2 ZINC001071199627 784720449 /nfs/dbraw/zinc/72/04/49/784720449.db2.gz NWOWJEBLZMNVQD-GUYCJALGSA-N 1 1 332.404 0.454 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccn3nnnc3c1)C[C@H](C)O2 ZINC001071200407 784722186 /nfs/dbraw/zinc/72/21/86/784722186.db2.gz WHTBCTAIYDHDDU-GUYCJALGSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccn3nnnc3c1)C[C@H](C)O2 ZINC001071200407 784722191 /nfs/dbraw/zinc/72/21/91/784722191.db2.gz WHTBCTAIYDHDDU-GUYCJALGSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@H](C)O2 ZINC001071201726 784722892 /nfs/dbraw/zinc/72/28/92/784722892.db2.gz JJNWPRJLDYRCGQ-SUMWQHHRSA-N 1 1 330.388 0.099 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@H](C)O2 ZINC001071203827 784728319 /nfs/dbraw/zinc/72/83/19/784728319.db2.gz ICJVNISYKPGCEV-MAUKXSAKSA-N 1 1 346.431 0.514 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001071207226 784738238 /nfs/dbraw/zinc/73/82/38/784738238.db2.gz WTQKALIZTOAFCI-SCLBCKFNSA-N 1 1 342.399 0.235 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CCCO)C3)C2)c1 ZINC001071211151 784743991 /nfs/dbraw/zinc/74/39/91/784743991.db2.gz COQURKXELXCORS-BEFAXECRSA-N 1 1 343.427 0.751 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(CC)c1CC)C[C@H](C)O2 ZINC001071211503 784745462 /nfs/dbraw/zinc/74/54/62/784745462.db2.gz JELHZBBVKNCZJJ-KBXCAEBGSA-N 1 1 345.447 0.799 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(CC)c1CC)C[C@H](C)O2 ZINC001071211503 784745467 /nfs/dbraw/zinc/74/54/67/784745467.db2.gz JELHZBBVKNCZJJ-KBXCAEBGSA-N 1 1 345.447 0.799 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccnc(OC)c1)C[C@H](C)O2 ZINC001071214628 784751883 /nfs/dbraw/zinc/75/18/83/784751883.db2.gz XVHUJRVCCKICEU-KXBFYZLASA-N 1 1 343.427 0.958 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccnc(OC)c1)C[C@@H](C)O2 ZINC001071214625 784752275 /nfs/dbraw/zinc/75/22/75/784752275.db2.gz XVHUJRVCCKICEU-BEFAXECRSA-N 1 1 343.427 0.958 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)O[C@]3(CC[N@H+](CCOC)C3)C2)nn1 ZINC001071215497 784754318 /nfs/dbraw/zinc/75/43/18/784754318.db2.gz CKRDTDYEQMUNBS-YOEHRIQHSA-N 1 1 349.435 0.416 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC=C)nn1)C[C@H](C)O2 ZINC001071215943 784755935 /nfs/dbraw/zinc/75/59/35/784755935.db2.gz JMHICLHZBQGXSM-MAUKXSAKSA-N 1 1 343.431 0.793 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(CC)n1)C[C@@H](C)O2 ZINC001071220763 784770653 /nfs/dbraw/zinc/77/06/53/784770653.db2.gz IZHUIZBXCFOXJU-RDTXWAMCSA-N 1 1 344.415 0.202 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC)nn1)C[C@H](C)O2 ZINC001071226033 784782239 /nfs/dbraw/zinc/78/22/39/784782239.db2.gz UHUUKLHWVVMJSX-WMLDXEAASA-N 1 1 331.420 0.627 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@H](C)O2 ZINC001071226069 784782446 /nfs/dbraw/zinc/78/24/46/784782446.db2.gz USTVYZFGHRBMBO-SCLBCKFNSA-N 1 1 346.431 0.995 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@@H](C)O2 ZINC001071225591 784782928 /nfs/dbraw/zinc/78/29/28/784782928.db2.gz MRLHPJRBIXPSTG-PXAZEXFGSA-N 1 1 332.404 0.605 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CCO)C3)C2)nc1 ZINC001071231730 784796600 /nfs/dbraw/zinc/79/66/00/784796600.db2.gz UAHNVKKIXWOAJA-KDOFPFPSSA-N 1 1 329.400 0.361 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@H](C)O2 ZINC001071236071 784803320 /nfs/dbraw/zinc/80/33/20/784803320.db2.gz ONOCGDHUZXTKFW-KSSFIOAISA-N 1 1 341.415 0.991 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@H](C)O2 ZINC001071239085 784808937 /nfs/dbraw/zinc/80/89/37/784808937.db2.gz WGFOQRQVIBSRKE-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@@H](C)O2 ZINC001071240290 784812508 /nfs/dbraw/zinc/81/25/08/784812508.db2.gz COIINZGKIYMSGR-FZKQIMNGSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(C(N)=O)n1)C[C@@H](C)O2 ZINC001071246049 784827612 /nfs/dbraw/zinc/82/76/12/784827612.db2.gz NVMDLYOMUNTJSS-FZKQIMNGSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(C(N)=O)n1)C[C@@H](C)O2 ZINC001071246049 784827618 /nfs/dbraw/zinc/82/76/18/784827618.db2.gz NVMDLYOMUNTJSS-FZKQIMNGSA-N 1 1 342.399 0.119 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CCN1CCNC1=O ZINC001071414656 785063220 /nfs/dbraw/zinc/06/32/20/785063220.db2.gz VFDWGQMSBULGBO-TZMCWYRMSA-N 1 1 344.419 0.494 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071437899 785087388 /nfs/dbraw/zinc/08/73/88/785087388.db2.gz KVLUNVRXUNOJJZ-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CC(=O)N1CCC1 ZINC001071437899 785087395 /nfs/dbraw/zinc/08/73/95/785087395.db2.gz KVLUNVRXUNOJJZ-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@H](NC(=O)C(N)=O)CC[C@@H]2C)cc1C#N ZINC001071779106 785093549 /nfs/dbraw/zinc/09/35/49/785093549.db2.gz FIKIBGPJRJQEPM-SMDDNHRTSA-N 1 1 330.388 0.521 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@H](NC(=O)C(N)=O)CC[C@@H]2C)cc1C#N ZINC001071779106 785093561 /nfs/dbraw/zinc/09/35/61/785093561.db2.gz FIKIBGPJRJQEPM-SMDDNHRTSA-N 1 1 330.388 0.521 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C2CCS(=O)(=O)CC2)CC[C@H]1C ZINC001071862788 785236202 /nfs/dbraw/zinc/23/62/02/785236202.db2.gz ZXAPAUNLKNFDOJ-HIFRSBDPSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2CCS(=O)(=O)CC2)CC[C@H]1C ZINC001071862788 785236206 /nfs/dbraw/zinc/23/62/06/785236206.db2.gz ZXAPAUNLKNFDOJ-HIFRSBDPSA-N 1 1 326.462 0.804 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071874133 785251729 /nfs/dbraw/zinc/25/17/29/785251729.db2.gz GERUFAMUKCBPNS-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001071879467 785262396 /nfs/dbraw/zinc/26/23/96/785262396.db2.gz DDOKTEIYESJVNO-DZGCQCFKSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001071879467 785262401 /nfs/dbraw/zinc/26/24/01/785262401.db2.gz DDOKTEIYESJVNO-DZGCQCFKSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001068763934 791097119 /nfs/dbraw/zinc/09/71/19/791097119.db2.gz FYOSGTZXGOHKQR-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001071918845 785333499 /nfs/dbraw/zinc/33/34/99/785333499.db2.gz TYDAOUHYDZIUPY-SWLSCSKDSA-N 1 1 331.420 0.805 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC[C@@H]1C ZINC001071608706 785391198 /nfs/dbraw/zinc/39/11/98/785391198.db2.gz DBQTULQKDYGMAB-ZFWWWQNUSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC[C@@H]1C ZINC001071608706 785391206 /nfs/dbraw/zinc/39/12/06/785391206.db2.gz DBQTULQKDYGMAB-ZFWWWQNUSA-N 1 1 338.473 0.804 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@@H]1C ZINC001071968762 785438545 /nfs/dbraw/zinc/43/85/45/785438545.db2.gz WVTYXVYQJCQVHC-UONOGXRCSA-N 1 1 333.436 0.536 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@H]1C ZINC001071968628 785438594 /nfs/dbraw/zinc/43/85/94/785438594.db2.gz WHIBPDQYOLXQHG-CABCVRRESA-N 1 1 347.463 0.926 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2OCC(N)=O)CC[C@@H]1C ZINC001071664087 785478466 /nfs/dbraw/zinc/47/84/66/785478466.db2.gz YBMWIHMACIHNIP-KBPBESRZSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2OCC(N)=O)CC[C@@H]1C ZINC001071664087 785478470 /nfs/dbraw/zinc/47/84/70/785478470.db2.gz YBMWIHMACIHNIP-KBPBESRZSA-N 1 1 329.400 0.767 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1C ZINC001071987771 785482223 /nfs/dbraw/zinc/48/22/23/785482223.db2.gz FSKTYQIESHHXNE-KBPBESRZSA-N 1 1 336.436 0.816 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCn3cncn3)C2)nc1 ZINC001072003402 785510665 /nfs/dbraw/zinc/51/06/65/785510665.db2.gz ULEQNFMCYGJDKT-ZBFHGGJFSA-N 1 1 338.415 0.937 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)CC[C@H]1C ZINC001071696209 785545260 /nfs/dbraw/zinc/54/52/60/785545260.db2.gz XBWGUHFDSJACAU-OCCSQVGLSA-N 1 1 326.404 0.969 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C ZINC001072033774 785556103 /nfs/dbraw/zinc/55/61/03/785556103.db2.gz OTXHUYZSYDSRJZ-ZFWWWQNUSA-N 1 1 335.452 0.826 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001072035156 785557630 /nfs/dbraw/zinc/55/76/30/785557630.db2.gz IFAZHLDTZQKKKO-HOTGVXAUSA-N 1 1 335.448 0.331 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@@H]1C ZINC001071720962 785584771 /nfs/dbraw/zinc/58/47/71/785584771.db2.gz KOZBNXPAFUKFNA-LSDHHAIUSA-N 1 1 341.415 0.488 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001071744010 785624871 /nfs/dbraw/zinc/62/48/71/785624871.db2.gz IGBYXNQNKRUFNE-IUODEOHRSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001071744010 785624875 /nfs/dbraw/zinc/62/48/75/785624875.db2.gz IGBYXNQNKRUFNE-IUODEOHRSA-N 1 1 339.403 0.865 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C ZINC001072099881 785667482 /nfs/dbraw/zinc/66/74/82/785667482.db2.gz YTPGAFPSCWHAAR-QWHCGFSZSA-N 1 1 334.424 0.312 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001072316480 786029285 /nfs/dbraw/zinc/02/92/85/786029285.db2.gz CSIVEDYJBXIASC-ZBFHGGJFSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001072401299 786138535 /nfs/dbraw/zinc/13/85/35/786138535.db2.gz LBJCHUOSTAQWBC-UKRRQHHQSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C)nn1 ZINC001072481593 786255887 /nfs/dbraw/zinc/25/58/87/786255887.db2.gz SPSFYEZLKCZHHT-UONOGXRCSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cnsn4)C3)C2)C1=O ZINC001072508789 786299350 /nfs/dbraw/zinc/29/93/50/786299350.db2.gz AXDIFVDDRYOVGO-ZDUSSCGKSA-N 1 1 347.444 0.473 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)Cc4ccon4)C3)C2)C1=O ZINC001072565237 786373361 /nfs/dbraw/zinc/37/33/61/786373361.db2.gz OYABSIWXICBEFE-HNNXBMFYSA-N 1 1 344.415 0.538 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)C3CCC3)C2)C1=O ZINC001073507807 786440753 /nfs/dbraw/zinc/44/07/53/786440753.db2.gz GELZGEQHMVAVTJ-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)C3CCC3)C2)C1=O ZINC001073507807 786440754 /nfs/dbraw/zinc/44/07/54/786440754.db2.gz GELZGEQHMVAVTJ-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 ZINC001074268208 786550443 /nfs/dbraw/zinc/55/04/43/786550443.db2.gz GMMGVAZHQXKBAP-HZPDHXFCSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 ZINC001074268208 786550448 /nfs/dbraw/zinc/55/04/48/786550448.db2.gz GMMGVAZHQXKBAP-HZPDHXFCSA-N 1 1 346.431 0.662 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001074274173 786564125 /nfs/dbraw/zinc/56/41/25/786564125.db2.gz RVBIISKZARTXLG-HUUCEWRRSA-N 1 1 346.431 0.878 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001074274173 786564129 /nfs/dbraw/zinc/56/41/29/786564129.db2.gz RVBIISKZARTXLG-HUUCEWRRSA-N 1 1 346.431 0.878 20 30 ECEDMO CC(C)C#CC(=O)N1CCN(C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001073568926 786634300 /nfs/dbraw/zinc/63/43/00/786634300.db2.gz FRIQTTKPRUYAHE-QGZVFWFLSA-N 1 1 346.475 0.095 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@H]21 ZINC001074317527 786662193 /nfs/dbraw/zinc/66/21/93/786662193.db2.gz RCZBGKSQISFBJW-KGLIPLIRSA-N 1 1 332.404 0.982 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@H]21 ZINC001074317527 786662197 /nfs/dbraw/zinc/66/21/97/786662197.db2.gz RCZBGKSQISFBJW-KGLIPLIRSA-N 1 1 332.404 0.982 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CCN(C2CN(C(=O)C#CC3CC3)C2)CC1 ZINC001073579083 786669071 /nfs/dbraw/zinc/66/90/71/786669071.db2.gz DJWLCNQJOJSHLQ-UHFFFAOYSA-N 1 1 346.475 0.095 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 ZINC001074341683 786713629 /nfs/dbraw/zinc/71/36/29/786713629.db2.gz WACMNJBWYBHCDT-JKSUJKDBSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 ZINC001074341683 786713634 /nfs/dbraw/zinc/71/36/34/786713634.db2.gz WACMNJBWYBHCDT-JKSUJKDBSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001073601314 786747876 /nfs/dbraw/zinc/74/78/76/786747876.db2.gz AYKYOZFAXXACCY-UHFFFAOYSA-N 1 1 336.480 0.649 20 30 ECEDMO C#CCCN1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001074361197 786753839 /nfs/dbraw/zinc/75/38/39/786753839.db2.gz YEECETUEYHLTES-DLBZAZTESA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCN1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603821 786756003 /nfs/dbraw/zinc/75/60/03/786756003.db2.gz PNGITJCRVSJIOX-HNNXBMFYSA-N 1 1 335.452 0.451 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)c3cc[nH]c3)C2)C1=O ZINC001073618203 786781026 /nfs/dbraw/zinc/78/10/26/786781026.db2.gz XEDOSHKDELHTFR-HZPDHXFCSA-N 1 1 346.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)c3cc[nH]c3)C2)C1=O ZINC001073618203 786781028 /nfs/dbraw/zinc/78/10/28/786781028.db2.gz XEDOSHKDELHTFR-HZPDHXFCSA-N 1 1 346.431 0.622 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001073625216 786796965 /nfs/dbraw/zinc/79/69/65/786796965.db2.gz CLTZIWRVXYAEIX-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073630083 786812827 /nfs/dbraw/zinc/81/28/27/786812827.db2.gz MKGMPASFVPWIIG-CABCVRRESA-N 1 1 342.461 0.184 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073630083 786812835 /nfs/dbraw/zinc/81/28/35/786812835.db2.gz MKGMPASFVPWIIG-CABCVRRESA-N 1 1 342.461 0.184 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3ccnn32)C1 ZINC001073631583 786820223 /nfs/dbraw/zinc/82/02/23/786820223.db2.gz RJEUSOFUFAZQGC-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001073633925 786828344 /nfs/dbraw/zinc/82/83/44/786828344.db2.gz JMZXRYJHFSKIOC-GFCCVEGCSA-N 1 1 345.403 0.681 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001073637134 786837554 /nfs/dbraw/zinc/83/75/54/786837554.db2.gz RCOMUFMNKXROAB-ZIAGYGMSSA-N 1 1 334.420 0.369 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001073637134 786837560 /nfs/dbraw/zinc/83/75/60/786837560.db2.gz RCOMUFMNKXROAB-ZIAGYGMSSA-N 1 1 334.420 0.369 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001073637131 786837820 /nfs/dbraw/zinc/83/78/20/786837820.db2.gz RCOMUFMNKXROAB-KBPBESRZSA-N 1 1 334.420 0.369 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001073637131 786837827 /nfs/dbraw/zinc/83/78/27/786837827.db2.gz RCOMUFMNKXROAB-KBPBESRZSA-N 1 1 334.420 0.369 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC001073639143 786841614 /nfs/dbraw/zinc/84/16/14/786841614.db2.gz CEXQUQLECAEKEM-JTQLQIEISA-N 1 1 330.310 0.882 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC001073639143 786841629 /nfs/dbraw/zinc/84/16/29/786841629.db2.gz CEXQUQLECAEKEM-JTQLQIEISA-N 1 1 330.310 0.882 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001073645363 786861212 /nfs/dbraw/zinc/86/12/12/786861212.db2.gz KUVNOYQSZBOICZ-AWEZNQCLSA-N 1 1 334.420 0.810 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001073660743 786901910 /nfs/dbraw/zinc/90/19/10/786901910.db2.gz NJBDTABNTMZCPZ-HOTGVXAUSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001073660743 786901919 /nfs/dbraw/zinc/90/19/19/786901919.db2.gz NJBDTABNTMZCPZ-HOTGVXAUSA-N 1 1 330.432 0.594 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001073660579 786902705 /nfs/dbraw/zinc/90/27/05/786902705.db2.gz JNOPZWFFOFAYEX-CQSZACIVSA-N 1 1 334.420 0.810 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001073661179 786905435 /nfs/dbraw/zinc/90/54/35/786905435.db2.gz XTWKPXRUPRMQQN-MRXNPFEDSA-N 1 1 343.427 0.969 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001073661179 786905442 /nfs/dbraw/zinc/90/54/42/786905442.db2.gz XTWKPXRUPRMQQN-MRXNPFEDSA-N 1 1 343.427 0.969 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCn3nccc32)C1 ZINC001073667662 786918696 /nfs/dbraw/zinc/91/86/96/786918696.db2.gz LPPFKCDYPWKTFQ-CVEARBPZSA-N 1 1 330.432 0.991 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001073671285 786928098 /nfs/dbraw/zinc/92/80/98/786928098.db2.gz ZXACVESHWGIEMF-GPANFISMSA-N 1 1 335.448 0.509 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(N(C)C)nc2)C1 ZINC001073672669 786933730 /nfs/dbraw/zinc/93/37/30/786933730.db2.gz OYRXJAIALCYPTD-INIZCTEOSA-N 1 1 330.432 0.992 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001073681030 786957667 /nfs/dbraw/zinc/95/76/67/786957667.db2.gz BNYBJWSXMGAEIC-OAHLLOKOSA-N 1 1 348.447 0.911 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001073690046 786974200 /nfs/dbraw/zinc/97/42/00/786974200.db2.gz LFCNAFKPZDHXNN-GFCCVEGCSA-N 1 1 330.392 0.750 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001073690086 786974535 /nfs/dbraw/zinc/97/45/35/786974535.db2.gz LVITYTFUQUKNKL-GFCCVEGCSA-N 1 1 330.392 0.750 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001073690873 786976987 /nfs/dbraw/zinc/97/69/87/786976987.db2.gz JYLDQZOYGPGDIY-CQSZACIVSA-N 1 1 332.404 0.510 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001073690873 786976991 /nfs/dbraw/zinc/97/69/91/786976991.db2.gz JYLDQZOYGPGDIY-CQSZACIVSA-N 1 1 332.404 0.510 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C(F)F)nn2C)C1 ZINC001073694214 786983257 /nfs/dbraw/zinc/98/32/57/786983257.db2.gz XRGXIYIAISUWNT-LLVKDONJSA-N 1 1 326.347 0.812 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(F)F)nn2C)C1 ZINC001073694214 786983265 /nfs/dbraw/zinc/98/32/65/786983265.db2.gz XRGXIYIAISUWNT-LLVKDONJSA-N 1 1 326.347 0.812 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001073697022 786990878 /nfs/dbraw/zinc/99/08/78/786990878.db2.gz WPFFPMTXYMQGLQ-LLVKDONJSA-N 1 1 326.347 0.812 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001073697022 786990883 /nfs/dbraw/zinc/99/08/83/786990883.db2.gz WPFFPMTXYMQGLQ-LLVKDONJSA-N 1 1 326.347 0.812 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001073741164 787095680 /nfs/dbraw/zinc/09/56/80/787095680.db2.gz PFINVCYFABPWFM-HOCLYGCPSA-N 1 1 332.448 0.918 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001073748619 787122303 /nfs/dbraw/zinc/12/23/03/787122303.db2.gz IVLIMMOLBZNUDX-KGLIPLIRSA-N 1 1 331.420 0.455 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001073748619 787122313 /nfs/dbraw/zinc/12/23/13/787122313.db2.gz IVLIMMOLBZNUDX-KGLIPLIRSA-N 1 1 331.420 0.455 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001073748619 787122319 /nfs/dbraw/zinc/12/23/19/787122319.db2.gz IVLIMMOLBZNUDX-KGLIPLIRSA-N 1 1 331.420 0.455 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3cc(C)cnc23)C1 ZINC001073796784 787219367 /nfs/dbraw/zinc/21/93/67/787219367.db2.gz RVUQXOJBUCRKCI-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3cc(C)cnc23)C1 ZINC001073796786 787219625 /nfs/dbraw/zinc/21/96/25/787219625.db2.gz RVUQXOJBUCRKCI-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCO[C@H](CNC(=O)c3cnon3)C2)cc1 ZINC001073828050 787291442 /nfs/dbraw/zinc/29/14/42/787291442.db2.gz FMKKLHDWLIIFTN-OAHLLOKOSA-N 1 1 341.371 0.962 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001074578502 787306269 /nfs/dbraw/zinc/30/62/69/787306269.db2.gz DXJXZHOWTFQUAF-OAHLLOKOSA-N 1 1 335.448 0.210 20 30 ECEDMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C)c1nnnn1C ZINC001074589129 787338838 /nfs/dbraw/zinc/33/88/38/787338838.db2.gz OHGOEBXKMZOURI-NHCYSSNCSA-N 1 1 328.380 0.364 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001073847801 787347695 /nfs/dbraw/zinc/34/76/95/787347695.db2.gz KDPJAHIRGDQJIA-CABCVRRESA-N 1 1 349.435 0.636 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001073848139 787349157 /nfs/dbraw/zinc/34/91/57/787349157.db2.gz QFLICGSUPCBULL-HNNXBMFYSA-N 1 1 349.435 0.636 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001073856289 787372380 /nfs/dbraw/zinc/37/23/80/787372380.db2.gz BSQMPAVPQLJHAZ-CQSZACIVSA-N 1 1 344.419 0.830 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001073856361 787372488 /nfs/dbraw/zinc/37/24/88/787372488.db2.gz DLOWOFDMKRCAFT-ZDUSSCGKSA-N 1 1 343.387 0.279 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccccc2-n2cnnn2)C1 ZINC001073883400 787429991 /nfs/dbraw/zinc/42/99/91/787429991.db2.gz LWWWBLPSEAJJRA-AWEZNQCLSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccccc2-n2cnnn2)C1 ZINC001073883400 787430000 /nfs/dbraw/zinc/43/00/00/787430000.db2.gz LWWWBLPSEAJJRA-AWEZNQCLSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)nn3cccnc23)C1 ZINC001073889476 787443586 /nfs/dbraw/zinc/44/35/86/787443586.db2.gz RDKKHAGDIQOBKR-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CC2CC2)CC1 ZINC001074627957 787444249 /nfs/dbraw/zinc/44/42/49/787444249.db2.gz VSJRIHLWMKIYAW-INIZCTEOSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CC2CC2)CC1 ZINC001074627957 787444259 /nfs/dbraw/zinc/44/42/59/787444259.db2.gz VSJRIHLWMKIYAW-INIZCTEOSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001073890673 787449509 /nfs/dbraw/zinc/44/95/09/787449509.db2.gz HNNKKEPLQPCUGH-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001073893482 787457977 /nfs/dbraw/zinc/45/79/77/787457977.db2.gz USIGJFWRIBPAOB-KRWDZBQOSA-N 1 1 343.427 0.890 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001073893299 787458383 /nfs/dbraw/zinc/45/83/83/787458383.db2.gz PPMOGXIZJDIGOF-OAHLLOKOSA-N 1 1 332.404 0.577 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001073896718 787467403 /nfs/dbraw/zinc/46/74/03/787467403.db2.gz ZBGMDYACJZWUQP-CYBMUJFWSA-N 1 1 332.404 0.577 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001073899616 787475542 /nfs/dbraw/zinc/47/55/42/787475542.db2.gz YRFUVHZFYGRRMO-CVEARBPZSA-N 1 1 347.463 0.932 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001073901750 787482837 /nfs/dbraw/zinc/48/28/37/787482837.db2.gz DJYDOBVGMDRGBY-HUUCEWRRSA-N 1 1 331.420 0.071 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001074707110 787649637 /nfs/dbraw/zinc/64/96/37/787649637.db2.gz UKNZLIDLIHPLHJ-KBPBESRZSA-N 1 1 336.436 0.100 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSCC#N)C[C@@H]1C ZINC001074013272 787675981 /nfs/dbraw/zinc/67/59/81/787675981.db2.gz DJUCOERTOUZKRL-KBPBESRZSA-N 1 1 340.493 0.937 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001074063149 787794804 /nfs/dbraw/zinc/79/48/04/787794804.db2.gz MMZCCNFNSFXHKF-HOCLYGCPSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001074094444 787872662 /nfs/dbraw/zinc/87/26/62/787872662.db2.gz YMFCITFBCJMSLQ-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072634667 788475126 /nfs/dbraw/zinc/47/51/26/788475126.db2.gz GHCYPYFQVNMPRH-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C1=O ZINC001072712215 788636512 /nfs/dbraw/zinc/63/65/12/788636512.db2.gz KYMPOSGWEUBTNZ-MRXNPFEDSA-N 1 1 329.444 0.943 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)N(C)C)C2)C1 ZINC001072813567 788867593 /nfs/dbraw/zinc/86/75/93/788867593.db2.gz WYQDHEXHDPHGBR-INIZCTEOSA-N 1 1 329.448 0.371 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1nnc(C)o1)C2 ZINC001072822346 788890244 /nfs/dbraw/zinc/89/02/44/788890244.db2.gz CDTLKLCWQDWMER-HNNXBMFYSA-N 1 1 343.431 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1nnc(C)o1)C2 ZINC001072822346 788890255 /nfs/dbraw/zinc/89/02/55/788890255.db2.gz CDTLKLCWQDWMER-HNNXBMFYSA-N 1 1 343.431 0.510 20 30 ECEDMO C=CCN1CC[C@H](N2CCC3(CN(C(=O)[C@@H](CC)[NH+](C)C)C3)C2)C1=O ZINC001072851459 788961964 /nfs/dbraw/zinc/96/19/64/788961964.db2.gz WFZXRXOBAKOVTN-CVEARBPZSA-N 1 1 348.491 0.648 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001075189481 789037123 /nfs/dbraw/zinc/03/71/23/789037123.db2.gz RYVILFONBJOXLO-HOTGVXAUSA-N 1 1 337.464 0.864 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C2)C1 ZINC001072920186 789113522 /nfs/dbraw/zinc/11/35/22/789113522.db2.gz ODGIMOUUYUWWAS-UHFFFAOYSA-N 1 1 325.372 0.835 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075260734 789129504 /nfs/dbraw/zinc/12/95/04/789129504.db2.gz HJNBMCDLCSDGHR-VXGBXAGGSA-N 1 1 342.407 0.298 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001073029027 789305192 /nfs/dbraw/zinc/30/51/92/789305192.db2.gz JTQNANVZYJLAEV-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC001073052149 789350625 /nfs/dbraw/zinc/35/06/25/789350625.db2.gz FYHUBTLOMFDMAU-JYJNAYRXSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)CC1 ZINC001075455263 789378129 /nfs/dbraw/zinc/37/81/29/789378129.db2.gz BNLARYWOJPRJEY-DOTOQJQBSA-N 1 1 346.475 0.984 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC001073110390 789455930 /nfs/dbraw/zinc/45/59/30/789455930.db2.gz AVSXZFKUBPMYNF-CQSZACIVSA-N 1 1 331.420 0.964 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](CC)C(N)=O)C3)nc1 ZINC001073138038 789512425 /nfs/dbraw/zinc/51/24/25/789512425.db2.gz YKJODNNSWOBEFC-HNNXBMFYSA-N 1 1 326.400 0.475 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccon4)[C@@H]3C2)C1=O ZINC001075585053 789532157 /nfs/dbraw/zinc/53/21/57/789532157.db2.gz ODTSQDGVLCUECE-AEGPPILISA-N 1 1 330.388 0.608 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2N(c2nccnc2C#N)CC3)C1 ZINC001069265337 789715875 /nfs/dbraw/zinc/71/58/75/789715875.db2.gz AFDYEVYMHPHYIR-YEWWUXTCSA-N 1 1 340.431 0.918 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001069384660 789790151 /nfs/dbraw/zinc/79/01/51/789790151.db2.gz CFDBCTYULLIUJW-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3ccc(C#N)cn3)C(C)(C)C2)C1 ZINC001069545258 789890463 /nfs/dbraw/zinc/89/04/63/789890463.db2.gz HMFQOGWIWBTKIV-GJZGRUSLSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3ccc(C#N)cn3)C(C)(C)C2)C1 ZINC001069545258 789890470 /nfs/dbraw/zinc/89/04/70/789890470.db2.gz HMFQOGWIWBTKIV-GJZGRUSLSA-N 1 1 343.431 0.933 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3ccc(C#N)nn3)C(C)(C)C2)C1 ZINC001069552650 789894782 /nfs/dbraw/zinc/89/47/82/789894782.db2.gz CWNZDLXGKAVXQB-ZIAGYGMSSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3ccc(C#N)nn3)C(C)(C)C2)C1 ZINC001069552650 789894790 /nfs/dbraw/zinc/89/47/90/789894790.db2.gz CWNZDLXGKAVXQB-ZIAGYGMSSA-N 1 1 344.419 0.328 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069616024 789934140 /nfs/dbraw/zinc/93/41/40/789934140.db2.gz DVCMNEZWZHIZJS-UONOGXRCSA-N 1 1 342.447 0.903 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC(Nc2ncccc2C#N)C1 ZINC001069719266 789986933 /nfs/dbraw/zinc/98/69/33/789986933.db2.gz IQUGELMTXLYBKE-YMAMQOFZSA-N 1 1 329.404 0.685 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC(Nc2ncccc2C#N)C1 ZINC001069719266 789986938 /nfs/dbraw/zinc/98/69/38/789986938.db2.gz IQUGELMTXLYBKE-YMAMQOFZSA-N 1 1 329.404 0.685 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC(Nc3cncc(C#N)n3)C2)C1 ZINC001069746209 790004690 /nfs/dbraw/zinc/00/46/90/790004690.db2.gz IQJPIALTNKRDGN-PESDSKBTSA-N 1 1 344.419 0.470 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC(Nc3cncc(C#N)n3)C2)C1 ZINC001069746209 790004695 /nfs/dbraw/zinc/00/46/95/790004695.db2.gz IQJPIALTNKRDGN-PESDSKBTSA-N 1 1 344.419 0.470 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001069800182 790040693 /nfs/dbraw/zinc/04/06/93/790040693.db2.gz NXYMYUPLCRPFGI-PFSRBDOWSA-N 1 1 342.447 0.902 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)c2C1 ZINC001069869441 790128765 /nfs/dbraw/zinc/12/87/65/790128765.db2.gz MJFDKYZMZHZHOA-GJZGRUSLSA-N 1 1 345.447 0.793 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)c2C1 ZINC001069869441 790128766 /nfs/dbraw/zinc/12/87/66/790128766.db2.gz MJFDKYZMZHZHOA-GJZGRUSLSA-N 1 1 345.447 0.793 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)c2C1 ZINC001069877292 790139483 /nfs/dbraw/zinc/13/94/83/790139483.db2.gz ODYRBGAOANNOSJ-HOTGVXAUSA-N 1 1 342.447 0.855 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@@H](n2ccnn2)C1 ZINC001069897579 790165693 /nfs/dbraw/zinc/16/56/93/790165693.db2.gz XLPIGPWCPGAEGQ-CABCVRRESA-N 1 1 325.372 0.662 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@@H](n2ccnn2)C1 ZINC001069897579 790165696 /nfs/dbraw/zinc/16/56/96/790165696.db2.gz XLPIGPWCPGAEGQ-CABCVRRESA-N 1 1 325.372 0.662 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069900429 790168147 /nfs/dbraw/zinc/16/81/47/790168147.db2.gz DTAIXQNNSZWRJG-CABCVRRESA-N 1 1 329.408 0.401 20 30 ECEDMO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907966 790176279 /nfs/dbraw/zinc/17/62/79/790176279.db2.gz YRDIDBLIEUVLMQ-DFBGVHRSSA-N 1 1 343.391 0.168 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069910038 790178893 /nfs/dbraw/zinc/17/88/93/790178893.db2.gz BSIXHTBXIMMRKD-KFWWJZLASA-N 1 1 347.419 0.539 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](n2ccnn2)C1 ZINC001069952285 790233343 /nfs/dbraw/zinc/23/33/43/790233343.db2.gz CKWPNUUHITWGBW-CVEARBPZSA-N 1 1 341.419 0.253 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](n2ccnn2)C1 ZINC001069952285 790233348 /nfs/dbraw/zinc/23/33/48/790233348.db2.gz CKWPNUUHITWGBW-CVEARBPZSA-N 1 1 341.419 0.253 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc3n[nH]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069956010 790238536 /nfs/dbraw/zinc/23/85/36/790238536.db2.gz YLXFJOHSTBQWML-KGLIPLIRSA-N 1 1 338.375 0.391 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc3n[nH]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069956010 790238541 /nfs/dbraw/zinc/23/85/41/790238541.db2.gz YLXFJOHSTBQWML-KGLIPLIRSA-N 1 1 338.375 0.391 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068837273 791231201 /nfs/dbraw/zinc/23/12/01/791231201.db2.gz WSEMOCQWEMAXML-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068871222 791314051 /nfs/dbraw/zinc/31/40/51/791314051.db2.gz OWICPZQHXPBTHY-ZIAGYGMSSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001068871221 791314311 /nfs/dbraw/zinc/31/43/11/791314311.db2.gz OWICPZQHXPBTHY-UONOGXRCSA-N 1 1 344.419 0.472 20 30 ECEDMO C=C(C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068890561 791351837 /nfs/dbraw/zinc/35/18/37/791351837.db2.gz XUPMGJFDXZEQSF-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001068916587 791413722 /nfs/dbraw/zinc/41/37/22/791413722.db2.gz NNXKMBLECSVUCD-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)[C@H]1C ZINC001068921109 791424848 /nfs/dbraw/zinc/42/48/48/791424848.db2.gz NYULZEDBEUWWSL-TZMCWYRMSA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)[C@@H]1C ZINC001068921561 791425917 /nfs/dbraw/zinc/42/59/17/791425917.db2.gz RSMIEKZJCCDSKT-GXTWGEPZSA-N 1 1 325.376 0.955 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2cnc(C#N)cn2)C[C@@H]1C ZINC001069176530 791759597 /nfs/dbraw/zinc/75/95/97/791759597.db2.gz UWPMHGWRXBZRHI-WCQYABFASA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNc3ccc(C#N)cn3)C2)CC[N@H+]1C ZINC001066686687 791987111 /nfs/dbraw/zinc/98/71/11/791987111.db2.gz XQACRRITYMYVCC-FVQBIDKESA-N 1 1 343.431 0.933 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2nc(C)ns2)C1 ZINC001066688079 791993248 /nfs/dbraw/zinc/99/32/48/791993248.db2.gz TZQQTFVTUOZYGK-KGLIPLIRSA-N 1 1 349.460 0.583 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2nc(C)ns2)C1 ZINC001066688079 791993254 /nfs/dbraw/zinc/99/32/54/791993254.db2.gz TZQQTFVTUOZYGK-KGLIPLIRSA-N 1 1 349.460 0.583 20 30 ECEDMO C[N@@H+](CC(=O)N1CCO[C@@H](CNc2cnc(C#N)cn2)C1)C1CCC1 ZINC001066688226 791994753 /nfs/dbraw/zinc/99/47/53/791994753.db2.gz YFXZKWGWEXZMRH-HNNXBMFYSA-N 1 1 344.419 0.472 20 30 ECEDMO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(C(=O)CC4CC4)C3)CC2)nn1 ZINC001066696692 792011863 /nfs/dbraw/zinc/01/18/63/792011863.db2.gz QKONMXPNMZDUJO-MRXNPFEDSA-N 1 1 340.431 0.871 20 30 ECEDMO C[C@H]1C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066701508 792030070 /nfs/dbraw/zinc/03/00/70/792030070.db2.gz ZNNXPVGFZFTWHK-KKUMJFAQSA-N 1 1 340.431 0.727 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1cnc(C#N)cn1 ZINC001067742108 792211688 /nfs/dbraw/zinc/21/16/88/792211688.db2.gz HZFJKUPIXMISBR-GJZGRUSLSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1cncc(C#N)n1 ZINC001067742960 792211768 /nfs/dbraw/zinc/21/17/68/792211768.db2.gz RZNRIZZPCUSYSA-CABCVRRESA-N 1 1 328.420 0.870 20 30 ECEDMO CN(CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)CSCC#N ZINC001066871493 792243326 /nfs/dbraw/zinc/24/33/26/792243326.db2.gz IMGQPSMWBGPFMS-CQSZACIVSA-N 1 1 340.493 0.892 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CSCC#N ZINC001066873154 792244685 /nfs/dbraw/zinc/24/46/85/792244685.db2.gz GPEGSWCAIISHJG-CYBMUJFWSA-N 1 1 326.466 0.502 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067895357 792436054 /nfs/dbraw/zinc/43/60/54/792436054.db2.gz BYOSWUYJKRGNCL-NRXISQOPSA-N 1 1 342.447 0.951 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(CNc3ccncc3C#N)C2)O1 ZINC001067899234 792445347 /nfs/dbraw/zinc/44/53/47/792445347.db2.gz PAMTYFYHVNZCEQ-ZHOLYQSMSA-N 1 1 343.431 0.401 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(CNc3ccncc3C#N)C2)O1 ZINC001067899234 792445351 /nfs/dbraw/zinc/44/53/51/792445351.db2.gz PAMTYFYHVNZCEQ-ZHOLYQSMSA-N 1 1 343.431 0.401 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1C ZINC001067961120 792508480 /nfs/dbraw/zinc/50/84/80/792508480.db2.gz NIROENRRSOSPPP-JSGCOSHPSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC[C@H]1C ZINC001067961897 792509473 /nfs/dbraw/zinc/50/94/73/792509473.db2.gz ZYPKAWJAKMMOKQ-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CCOCC ZINC001066995168 792530895 /nfs/dbraw/zinc/53/08/95/792530895.db2.gz CVRHYJWYTZMXSH-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CCOCC ZINC001066995168 792530900 /nfs/dbraw/zinc/53/09/00/792530900.db2.gz CVRHYJWYTZMXSH-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO C=CCCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001067011373 792576855 /nfs/dbraw/zinc/57/68/55/792576855.db2.gz NSNIPGSOOCBNCT-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2nccnc2C#N)[C@@H](C)C1 ZINC001067108479 792705385 /nfs/dbraw/zinc/70/53/85/792705385.db2.gz LJKGZNYDKVOVDA-FZMZJTMJSA-N 1 1 325.376 0.812 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H](Nc2cnc(C#N)cn2)C1 ZINC001067107923 792705522 /nfs/dbraw/zinc/70/55/22/792705522.db2.gz GWCWALLKZIHKRT-SMDDNHRTSA-N 1 1 325.376 0.812 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)C1 ZINC001068174920 792786780 /nfs/dbraw/zinc/78/67/80/792786780.db2.gz ITSJZDGSCLKDIZ-CYUUQNCZSA-N 1 1 326.404 0.098 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001068190021 792811193 /nfs/dbraw/zinc/81/11/93/792811193.db2.gz NZFLVLVUSIQHQX-JONQDZQNSA-N 1 1 340.431 0.631 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CN(C(=O)C#CC(C)(C)C)CCO3)C1 ZINC001068395937 793204921 /nfs/dbraw/zinc/20/49/21/793204921.db2.gz NENMCEDBAUAWSS-HNNXBMFYSA-N 1 1 347.459 0.427 20 30 ECEDMO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001068403221 793229285 /nfs/dbraw/zinc/22/92/85/793229285.db2.gz GDZFIXQPJMVSAB-UHFFFAOYSA-N 1 1 346.431 0.988 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068437643 793313919 /nfs/dbraw/zinc/31/39/19/793313919.db2.gz BIJTXSIDKCCVIN-HZPDHXFCSA-N 1 1 349.475 0.980 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2cn(CCOC)nn2)C1 ZINC001267460514 837449097 /nfs/dbraw/zinc/44/90/97/837449097.db2.gz WGVKAPJADUUSCT-OAHLLOKOSA-N 1 1 333.436 0.874 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cn(CCOC)nn2)C1 ZINC001267460514 837449100 /nfs/dbraw/zinc/44/91/00/837449100.db2.gz WGVKAPJADUUSCT-OAHLLOKOSA-N 1 1 333.436 0.874 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001267482727 837540410 /nfs/dbraw/zinc/54/04/10/837540410.db2.gz NIACZEGLURIHHI-OLZOCXBDSA-N 1 1 333.436 0.931 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2nc3nccc(C)n3n2)C1 ZINC001267487956 837551551 /nfs/dbraw/zinc/55/15/51/837551551.db2.gz HKJNKAJMFHPUHS-AWEZNQCLSA-N 1 1 326.404 0.992 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2nc3nccc(C)n3n2)C1 ZINC001267487956 837551558 /nfs/dbraw/zinc/55/15/58/837551558.db2.gz HKJNKAJMFHPUHS-AWEZNQCLSA-N 1 1 326.404 0.992 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)Cn1cnnn1)Cc1cccc(C#N)c1 ZINC001267497370 837567119 /nfs/dbraw/zinc/56/71/19/837567119.db2.gz DZGVPSQSUYHWGE-UHFFFAOYSA-N 1 1 341.419 0.962 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1n[nH]c2c1CCC2)C(C)C ZINC001267504355 837585795 /nfs/dbraw/zinc/58/57/95/837585795.db2.gz PQVJVANNUOTHMT-UHFFFAOYSA-N 1 1 345.447 0.478 20 30 ECEDMO C#CC[N@H+](CCCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1)C(C)C ZINC001267505335 837586673 /nfs/dbraw/zinc/58/66/73/837586673.db2.gz RTASABWPPRCOHL-UHFFFAOYSA-N 1 1 330.396 0.157 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2cc(C)cn2)C1 ZINC001267510020 837599375 /nfs/dbraw/zinc/59/93/75/837599375.db2.gz ZUPNQYRPZFMHPP-HOTGVXAUSA-N 1 1 347.463 0.710 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2cc(C)cn2)C1 ZINC001267510019 837599575 /nfs/dbraw/zinc/59/95/75/837599575.db2.gz ZUPNQYRPZFMHPP-CVEARBPZSA-N 1 1 347.463 0.710 20 30 ECEDMO C=C(Cl)C[N@H+](CCCNC(=O)CN1C(=O)CN(C)C1=O)C(C)C ZINC001267514297 837607644 /nfs/dbraw/zinc/60/76/44/837607644.db2.gz LRVJCSQEYUNTLM-UHFFFAOYSA-N 1 1 344.843 0.850 20 30 ECEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CCS(=O)(=O)N1)C(C)C ZINC001267514568 837607767 /nfs/dbraw/zinc/60/77/67/837607767.db2.gz OFQOAWOJORJVAP-GFCCVEGCSA-N 1 1 337.873 0.647 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)/C=C/c2ccc[nH]2)C1 ZINC001267524141 837684460 /nfs/dbraw/zinc/68/44/60/837684460.db2.gz PLBSFYAEVTWUPP-RDFMZFSFSA-N 1 1 329.404 0.496 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(F)cn2)C1 ZINC001267525150 837688700 /nfs/dbraw/zinc/68/87/00/837688700.db2.gz YUMYNFBMPSTEDE-GFCCVEGCSA-N 1 1 333.367 0.302 20 30 ECEDMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)c2c[nH]c(C#N)c2)s1 ZINC001279695210 837692284 /nfs/dbraw/zinc/69/22/84/837692284.db2.gz KZYLRNRKCCTYEE-UHFFFAOYSA-N 1 1 334.405 0.271 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COC ZINC001267528069 837697363 /nfs/dbraw/zinc/69/73/63/837697363.db2.gz TUTPMOGLBUVRRC-JONQDZQNSA-N 1 1 326.437 0.650 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001267530698 837704532 /nfs/dbraw/zinc/70/45/32/837704532.db2.gz XGYIJWKEDKGNRZ-OWCLPIDISA-N 1 1 343.431 0.481 20 30 ECEDMO CC(F)(F)CCC(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267544710 837734109 /nfs/dbraw/zinc/73/41/09/837734109.db2.gz MRFNGJBJYLTWQH-LBPRGKRZSA-N 1 1 330.379 0.890 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(F)c2)C1 ZINC001267549559 837748176 /nfs/dbraw/zinc/74/81/76/837748176.db2.gz FZBGFBSYNAOBJT-CYBMUJFWSA-N 1 1 332.379 0.907 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001267548980 837749204 /nfs/dbraw/zinc/74/92/04/837749204.db2.gz PXYJWFCLCZPQJX-AWEZNQCLSA-N 1 1 348.451 0.656 20 30 ECEDMO CO[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001267562776 837774446 /nfs/dbraw/zinc/77/44/46/837774446.db2.gz ZUTSPSXQCIWREN-CZUORRHYSA-N 1 1 336.436 0.269 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2cnoc2)C1 ZINC001267562799 837775511 /nfs/dbraw/zinc/77/55/11/837775511.db2.gz MPDGJDLQHRQGKM-KGLIPLIRSA-N 1 1 332.404 0.183 20 30 ECEDMO C=C1CC(C)(C(=O)NCC[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001267565912 837782696 /nfs/dbraw/zinc/78/26/96/837782696.db2.gz XFPLSVKNYKRQOX-CYBMUJFWSA-N 1 1 333.436 0.793 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001267565935 837783335 /nfs/dbraw/zinc/78/33/35/837783335.db2.gz XOKJZLFEUPQQLZ-XHSDSOJGSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CCNC(=O)Cc3cnc[nH]3)C2)C1=O ZINC001267566933 837785603 /nfs/dbraw/zinc/78/56/03/837785603.db2.gz KLLOWXCZDGMPEK-GOEBONIOSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001267577076 837833086 /nfs/dbraw/zinc/83/30/86/837833086.db2.gz FXQWPOXOSYGXFS-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCNC(=O)C3CC3)C2)cn1 ZINC001266246221 835551019 /nfs/dbraw/zinc/55/10/19/835551019.db2.gz MJZUVHLDUFNVDA-KRWDZBQOSA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCNC(=O)C3CC3)C2)cn1 ZINC001266246221 835551022 /nfs/dbraw/zinc/55/10/22/835551022.db2.gz MJZUVHLDUFNVDA-KRWDZBQOSA-N 1 1 340.427 0.783 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001266246647 835552004 /nfs/dbraw/zinc/55/20/04/835552004.db2.gz UGPMBILHAIZSCV-KBPBESRZSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001266246647 835552010 /nfs/dbraw/zinc/55/20/10/835552010.db2.gz UGPMBILHAIZSCV-KBPBESRZSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001266246650 835552731 /nfs/dbraw/zinc/55/27/31/835552731.db2.gz UGPMBILHAIZSCV-ZIAGYGMSSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001266246650 835552737 /nfs/dbraw/zinc/55/27/37/835552737.db2.gz UGPMBILHAIZSCV-ZIAGYGMSSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C)on1 ZINC001266255096 835561262 /nfs/dbraw/zinc/56/12/62/835561262.db2.gz GTZSOEPYANZMQD-LLVKDONJSA-N 1 1 337.380 0.045 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C)on1 ZINC001266255096 835561269 /nfs/dbraw/zinc/56/12/69/835561269.db2.gz GTZSOEPYANZMQD-LLVKDONJSA-N 1 1 337.380 0.045 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccn1C ZINC001266258789 835566586 /nfs/dbraw/zinc/56/65/86/835566586.db2.gz XLGCYEXXQPFUQA-GFCCVEGCSA-N 1 1 335.408 0.087 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccn1C ZINC001266258789 835566596 /nfs/dbraw/zinc/56/65/96/835566596.db2.gz XLGCYEXXQPFUQA-GFCCVEGCSA-N 1 1 335.408 0.087 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc[nH]c1CC ZINC001266272212 835594385 /nfs/dbraw/zinc/59/43/85/835594385.db2.gz SGJFVHIALYFXNP-LBPRGKRZSA-N 1 1 349.435 0.639 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc[nH]c1CC ZINC001266272212 835594388 /nfs/dbraw/zinc/59/43/88/835594388.db2.gz SGJFVHIALYFXNP-LBPRGKRZSA-N 1 1 349.435 0.639 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccn(C(F)F)n1 ZINC001266278821 835605036 /nfs/dbraw/zinc/60/50/36/835605036.db2.gz SWVVXLHRSQNGAD-JTQLQIEISA-N 1 1 327.335 0.078 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccn(C(F)F)n1 ZINC001266278821 835605040 /nfs/dbraw/zinc/60/50/40/835605040.db2.gz SWVVXLHRSQNGAD-JTQLQIEISA-N 1 1 327.335 0.078 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1nccn1C(F)F ZINC001266285183 835618760 /nfs/dbraw/zinc/61/87/60/835618760.db2.gz PJPMXHOVQFBRFR-ZDUSSCGKSA-N 1 1 339.390 0.924 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1nccn1C(F)F ZINC001266285183 835618764 /nfs/dbraw/zinc/61/87/64/835618764.db2.gz PJPMXHOVQFBRFR-ZDUSSCGKSA-N 1 1 339.390 0.924 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)[C@]2(C)OCCc3ccccc32)CC1 ZINC001266298829 835654578 /nfs/dbraw/zinc/65/45/78/835654578.db2.gz JDBXAWFFUWOLFD-HXUWFJFHSA-N 1 1 341.455 0.842 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001266301755 835661839 /nfs/dbraw/zinc/66/18/39/835661839.db2.gz BNTOPSXBWOVPNN-OAHLLOKOSA-N 1 1 331.420 0.274 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001266301755 835661841 /nfs/dbraw/zinc/66/18/41/835661841.db2.gz BNTOPSXBWOVPNN-OAHLLOKOSA-N 1 1 331.420 0.274 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NCC(C)C ZINC001266309099 835675695 /nfs/dbraw/zinc/67/56/95/835675695.db2.gz NAYZSQBKPMRIGZ-UHFFFAOYSA-N 1 1 326.441 0.728 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC(=O)NCC(C)C ZINC001266309099 835675697 /nfs/dbraw/zinc/67/56/97/835675697.db2.gz NAYZSQBKPMRIGZ-UHFFFAOYSA-N 1 1 326.441 0.728 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001266320643 835692252 /nfs/dbraw/zinc/69/22/52/835692252.db2.gz CUUJMACUAKFPIQ-CQSZACIVSA-N 1 1 330.432 0.753 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001266320643 835692255 /nfs/dbraw/zinc/69/22/55/835692255.db2.gz CUUJMACUAKFPIQ-CQSZACIVSA-N 1 1 330.432 0.753 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001266335298 835718184 /nfs/dbraw/zinc/71/81/84/835718184.db2.gz QCXVBGLHDMGTMG-VIBAHUMZSA-N 1 1 339.439 0.758 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001266335298 835718192 /nfs/dbraw/zinc/71/81/92/835718192.db2.gz QCXVBGLHDMGTMG-VIBAHUMZSA-N 1 1 339.439 0.758 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)CNC(=O)CC2CCCC2)C1 ZINC001266347845 835742065 /nfs/dbraw/zinc/74/20/65/835742065.db2.gz SJYYDZBYKORGKA-INIZCTEOSA-N 1 1 335.448 0.523 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)CNC(=O)CC2CCCC2)C1 ZINC001266347845 835742075 /nfs/dbraw/zinc/74/20/75/835742075.db2.gz SJYYDZBYKORGKA-INIZCTEOSA-N 1 1 335.448 0.523 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC ZINC001266352161 835751821 /nfs/dbraw/zinc/75/18/21/835751821.db2.gz ORUPQWLLDZCXNU-CYBMUJFWSA-N 1 1 344.415 0.103 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC ZINC001266352161 835751829 /nfs/dbraw/zinc/75/18/29/835751829.db2.gz ORUPQWLLDZCXNU-CYBMUJFWSA-N 1 1 344.415 0.103 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccc(CC)cc1 ZINC001266354817 835757647 /nfs/dbraw/zinc/75/76/47/835757647.db2.gz OLGIAMSCNRMYKF-UHFFFAOYSA-N 1 1 346.431 0.922 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccc(CC)cc1 ZINC001266354817 835757656 /nfs/dbraw/zinc/75/76/56/835757656.db2.gz OLGIAMSCNRMYKF-UHFFFAOYSA-N 1 1 346.431 0.922 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001266359338 835768536 /nfs/dbraw/zinc/76/85/36/835768536.db2.gz SZTJTGBRNZFQFS-GJZGRUSLSA-N 1 1 330.432 0.584 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001266359338 835768545 /nfs/dbraw/zinc/76/85/45/835768545.db2.gz SZTJTGBRNZFQFS-GJZGRUSLSA-N 1 1 330.432 0.584 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001266367731 835780033 /nfs/dbraw/zinc/78/00/33/835780033.db2.gz JGMCOPQBEZMRAP-UHFFFAOYSA-N 1 1 330.388 0.590 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CC12CC[NH+](Cc1nnc(C)o1)CC2 ZINC001266371292 835785249 /nfs/dbraw/zinc/78/52/49/835785249.db2.gz VZJACZZYVJDQGJ-AWEZNQCLSA-N 1 1 332.404 0.889 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC(C)C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC001266388169 835796927 /nfs/dbraw/zinc/79/69/27/835796927.db2.gz UQXPEDCNJCSTQL-KRWDZBQOSA-N 1 1 349.475 0.721 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC(C)C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC001266388169 835796933 /nfs/dbraw/zinc/79/69/33/835796933.db2.gz UQXPEDCNJCSTQL-KRWDZBQOSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2coc(OC)n2)C1=O ZINC001266405904 835812265 /nfs/dbraw/zinc/81/22/65/835812265.db2.gz LCMUFTUPTQNSCT-CYBMUJFWSA-N 1 1 336.392 0.522 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001266437728 835841297 /nfs/dbraw/zinc/84/12/97/835841297.db2.gz KPEDKMBMYWCLDT-KGLIPLIRSA-N 1 1 347.463 0.643 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001266437728 835841302 /nfs/dbraw/zinc/84/13/02/835841302.db2.gz KPEDKMBMYWCLDT-KGLIPLIRSA-N 1 1 347.463 0.643 20 30 ECEDMO C[N@@H+](CCn1cncn1)C[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001266448723 835853101 /nfs/dbraw/zinc/85/31/01/835853101.db2.gz SUFJVHJPGKYHRN-AWEZNQCLSA-N 1 1 336.465 0.705 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)C1 ZINC001266452970 835856342 /nfs/dbraw/zinc/85/63/42/835856342.db2.gz VFFITQKCGGPZQD-ZDUSSCGKSA-N 1 1 341.402 0.952 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1)n1cccc1 ZINC001266455452 835857955 /nfs/dbraw/zinc/85/79/55/835857955.db2.gz FGZVMBWPMZZWKJ-HZPDHXFCSA-N 1 1 345.447 0.859 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)/C=C(/C)CC ZINC001266461573 835863018 /nfs/dbraw/zinc/86/30/18/835863018.db2.gz ROSLOSGNYXSAIO-ZVHGMHCTSA-N 1 1 336.436 0.935 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)/C=C(/C)CC ZINC001266461573 835863025 /nfs/dbraw/zinc/86/30/25/835863025.db2.gz ROSLOSGNYXSAIO-ZVHGMHCTSA-N 1 1 336.436 0.935 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001266468848 835871099 /nfs/dbraw/zinc/87/10/99/835871099.db2.gz BASIOSRSHFMTMJ-INIZCTEOSA-N 1 1 330.432 0.664 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001266473041 835876647 /nfs/dbraw/zinc/87/66/47/835876647.db2.gz VGBRRBDNKJXTOY-OAHLLOKOSA-N 1 1 348.447 0.512 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCN2CC(=O)NCC#N)C1 ZINC001266477686 835878788 /nfs/dbraw/zinc/87/87/88/835878788.db2.gz UAZAZVZEUTZYRN-CVEARBPZSA-N 1 1 349.479 0.329 20 30 ECEDMO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)Cn1ncn2nccc2c1=O ZINC001266483162 835883326 /nfs/dbraw/zinc/88/33/26/835883326.db2.gz PIIUTEATODCBSG-AWEZNQCLSA-N 1 1 344.419 0.438 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccncn1 ZINC001266485494 835885062 /nfs/dbraw/zinc/88/50/62/835885062.db2.gz CWTVVHBVWIWXPS-OAHLLOKOSA-N 1 1 343.431 0.871 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccncn1 ZINC001266485494 835885070 /nfs/dbraw/zinc/88/50/70/835885070.db2.gz CWTVVHBVWIWXPS-OAHLLOKOSA-N 1 1 343.431 0.871 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(COC)on1 ZINC001266485515 835885776 /nfs/dbraw/zinc/88/57/76/835885776.db2.gz DFHCDYDVZQHKTN-QWHCGFSZSA-N 1 1 348.403 0.153 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(COC)on1 ZINC001266485515 835885783 /nfs/dbraw/zinc/88/57/83/835885783.db2.gz DFHCDYDVZQHKTN-QWHCGFSZSA-N 1 1 348.403 0.153 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001266488150 835887396 /nfs/dbraw/zinc/88/73/96/835887396.db2.gz DDOJTQBPRNWGCE-OCCSQVGLSA-N 1 1 343.431 0.619 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001266488150 835887403 /nfs/dbraw/zinc/88/74/03/835887403.db2.gz DDOJTQBPRNWGCE-OCCSQVGLSA-N 1 1 343.431 0.619 20 30 ECEDMO C[C@@H](C[N@H+]1CC[C@H](CNC(=O)CSCC#N)C1)CS(C)(=O)=O ZINC001266500089 835901186 /nfs/dbraw/zinc/90/11/86/835901186.db2.gz LXLQTIWPDWBGAD-QWHCGFSZSA-N 1 1 347.506 0.362 20 30 ECEDMO CS(=O)(=O)CCC[N@@H+]1CC[C@H](CNC(=O)CSCC#N)C1 ZINC001266500219 835901261 /nfs/dbraw/zinc/90/12/61/835901261.db2.gz NTUBQBHQCGNSLY-GFCCVEGCSA-N 1 1 333.479 0.116 20 30 ECEDMO CS(=O)(=O)CCC[N@H+]1CC[C@H](CNC(=O)CSCC#N)C1 ZINC001266500219 835901273 /nfs/dbraw/zinc/90/12/73/835901273.db2.gz NTUBQBHQCGNSLY-GFCCVEGCSA-N 1 1 333.479 0.116 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001266501011 835902048 /nfs/dbraw/zinc/90/20/48/835902048.db2.gz ZWPUIZXJCICSTA-CHWSQXEVSA-N 1 1 333.436 0.715 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001266507630 835910878 /nfs/dbraw/zinc/91/08/78/835910878.db2.gz AEUPVZCUYUZQHE-QWHCGFSZSA-N 1 1 327.388 0.076 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(CC(C)C)CCNC2=O)C1 ZINC001266517148 835928476 /nfs/dbraw/zinc/92/84/76/835928476.db2.gz HIACXJWXVUKSJD-VQIMIIECSA-N 1 1 349.475 0.627 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2conc2C(C)C)C1 ZINC001266518055 835929917 /nfs/dbraw/zinc/92/99/17/835929917.db2.gz SJQJPFBSFLNHOU-CYBMUJFWSA-N 1 1 332.404 0.599 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ncc(C)cc2OC)C1 ZINC001266518361 835930783 /nfs/dbraw/zinc/93/07/83/835930783.db2.gz ZKCAMGLBGOPSAJ-AWEZNQCLSA-N 1 1 346.431 0.753 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC001266524959 835940003 /nfs/dbraw/zinc/94/00/03/835940003.db2.gz AXENBORPVXBFBW-UONOGXRCSA-N 1 1 346.431 0.833 20 30 ECEDMO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001266528178 835942822 /nfs/dbraw/zinc/94/28/22/835942822.db2.gz KXRVKUZTJNOEFC-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001266537322 835955794 /nfs/dbraw/zinc/95/57/94/835955794.db2.gz JCBGUTYCWZXBKZ-NSHDSACASA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001266537322 835955800 /nfs/dbraw/zinc/95/58/00/835955800.db2.gz JCBGUTYCWZXBKZ-NSHDSACASA-N 1 1 344.253 0.859 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cn(CCC)nn2)C1 ZINC001266540359 835961424 /nfs/dbraw/zinc/96/14/24/835961424.db2.gz VHYBSYNDBMCALP-CYBMUJFWSA-N 1 1 334.424 0.042 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)c2ccco2)C1 ZINC001266544878 835966765 /nfs/dbraw/zinc/96/67/65/835966765.db2.gz KKNMXTRHDBUSEY-GJZGRUSLSA-N 1 1 331.416 0.961 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001266548996 835971610 /nfs/dbraw/zinc/97/16/10/835971610.db2.gz LQZZROCIWRKFRA-HNNXBMFYSA-N 1 1 348.447 0.982 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2nc(C)c(C)s2)C1 ZINC001266549122 835971723 /nfs/dbraw/zinc/97/17/23/835971723.db2.gz OCCKUUNBORCILN-GXTWGEPZSA-N 1 1 348.472 0.950 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001266549582 835973661 /nfs/dbraw/zinc/97/36/61/835973661.db2.gz YLBLUXOSHQLIDY-AWEZNQCLSA-N 1 1 338.411 0.969 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)c1c(C)ncn1C ZINC001266562539 835991015 /nfs/dbraw/zinc/99/10/15/835991015.db2.gz FXMUVUAYPMOXGN-CQSZACIVSA-N 1 1 333.436 0.308 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCNC(=O)/C(C)=C/C)C1CC1 ZINC001266588320 836018696 /nfs/dbraw/zinc/01/86/96/836018696.db2.gz NBQLSPMWJIGAPT-XEVNVYFWSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCNC(=O)/C(C)=C/C)C1CC1 ZINC001266588320 836018707 /nfs/dbraw/zinc/01/87/07/836018707.db2.gz NBQLSPMWJIGAPT-XEVNVYFWSA-N 1 1 336.436 0.934 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cc(C2CC2)on1)C1CC1 ZINC001266604384 836037617 /nfs/dbraw/zinc/03/76/17/836037617.db2.gz CDQUURSZAIQGBH-GFCCVEGCSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cc(C2CC2)on1)C1CC1 ZINC001266604384 836037628 /nfs/dbraw/zinc/03/76/28/836037628.db2.gz CDQUURSZAIQGBH-GFCCVEGCSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cc(CC)n(C)n1)C1CC1 ZINC001266622337 836058566 /nfs/dbraw/zinc/05/85/66/836058566.db2.gz ZRCNBDCTQNXRIW-ZDUSSCGKSA-N 1 1 345.447 0.315 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cc(CC)n(C)n1)C1CC1 ZINC001266622337 836058577 /nfs/dbraw/zinc/05/85/77/836058577.db2.gz ZRCNBDCTQNXRIW-ZDUSSCGKSA-N 1 1 345.447 0.315 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccon2)C1 ZINC001266655518 836091765 /nfs/dbraw/zinc/09/17/65/836091765.db2.gz ANXUWPFCCNTEPL-HIFRSBDPSA-N 1 1 332.404 0.903 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nnn(C)n2)C1 ZINC001266660020 836097764 /nfs/dbraw/zinc/09/77/64/836097764.db2.gz UALGHZIMHXAVQS-KGLIPLIRSA-N 1 1 334.424 0.339 20 30 ECEDMO C#CCOCCC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cnc(C)o2)C1 ZINC001279479912 836146093 /nfs/dbraw/zinc/14/60/93/836146093.db2.gz MTPKHHPQQZRJDZ-KRWDZBQOSA-N 1 1 335.404 0.466 20 30 ECEDMO C#CCOCCC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cnc(C)o2)C1 ZINC001279479912 836146098 /nfs/dbraw/zinc/14/60/98/836146098.db2.gz MTPKHHPQQZRJDZ-KRWDZBQOSA-N 1 1 335.404 0.466 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001266746072 836232565 /nfs/dbraw/zinc/23/25/65/836232565.db2.gz BOOGHJRFFJUBKU-KSSFIOAISA-N 1 1 335.448 0.115 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2cnnc(C)c2)C1 ZINC001266747814 836234454 /nfs/dbraw/zinc/23/44/54/836234454.db2.gz XNLXMXDEIRUPGT-HUUCEWRRSA-N 1 1 345.447 0.918 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001266747365 836235267 /nfs/dbraw/zinc/23/52/67/836235267.db2.gz QGUNMWALAFGUHO-ZDUSSCGKSA-N 1 1 329.404 0.630 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2nn(C)cc2C)C1 ZINC001266749844 836238798 /nfs/dbraw/zinc/23/87/98/836238798.db2.gz MRCZJWGYVGZFRG-CABCVRRESA-N 1 1 347.463 0.861 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001266751177 836241763 /nfs/dbraw/zinc/24/17/63/836241763.db2.gz CSOXVWYFNJLLRI-GJZGRUSLSA-N 1 1 347.463 0.861 20 30 ECEDMO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)c(C)nn1 ZINC001266751886 836244435 /nfs/dbraw/zinc/24/44/35/836244435.db2.gz KYGKFRHLUVMZHS-AWEZNQCLSA-N 1 1 344.419 0.175 20 30 ECEDMO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)c(C)nn1 ZINC001266751886 836244443 /nfs/dbraw/zinc/24/44/43/836244443.db2.gz KYGKFRHLUVMZHS-AWEZNQCLSA-N 1 1 344.419 0.175 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C2(CCOC)CCC2)C1 ZINC001266767167 836273750 /nfs/dbraw/zinc/27/37/50/836273750.db2.gz LFILYIBJCPZGND-MRXNPFEDSA-N 1 1 349.475 0.771 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CC3(O)CCC3)C2)C1=O ZINC000971511697 836288690 /nfs/dbraw/zinc/28/86/90/836288690.db2.gz OXIPOSRHZBYGKL-HUUCEWRRSA-N 1 1 335.448 0.611 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC(C)C ZINC001266840343 836366274 /nfs/dbraw/zinc/36/62/74/836366274.db2.gz SJRSQWIZRZOKIH-PBHICJAKSA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC(C)C ZINC001266840343 836366277 /nfs/dbraw/zinc/36/62/77/836366277.db2.gz SJRSQWIZRZOKIH-PBHICJAKSA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC ZINC001266848892 836377827 /nfs/dbraw/zinc/37/78/27/836377827.db2.gz HSUSRHZOFNNTHQ-YOEHRIQHSA-N 1 1 325.453 0.932 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC ZINC001266848892 836377832 /nfs/dbraw/zinc/37/78/32/836377832.db2.gz HSUSRHZOFNNTHQ-YOEHRIQHSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)c1cnc(C)[nH]1 ZINC001266863668 836406518 /nfs/dbraw/zinc/40/65/18/836406518.db2.gz LOBMWUIPTPJMDD-GXTWGEPZSA-N 1 1 333.436 0.993 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1nnnn1C1CC1 ZINC001266882147 836428995 /nfs/dbraw/zinc/42/89/95/836428995.db2.gz CBCOIWQBFLAOOL-ZFWWWQNUSA-N 1 1 334.424 0.537 20 30 ECEDMO C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001266890617 836437704 /nfs/dbraw/zinc/43/77/04/836437704.db2.gz KUAVNVABQPFROB-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccnc(F)c2)C1 ZINC001266890052 836438861 /nfs/dbraw/zinc/43/88/61/836438861.db2.gz LQNICKKTFWXIGK-ZFWWWQNUSA-N 1 1 346.406 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(=O)NCC(F)F ZINC001266891215 836440429 /nfs/dbraw/zinc/44/04/29/836440429.db2.gz OPRTUDSHHROCLX-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@H+](CCS(C)(=O)=O)C1 ZINC001266891647 836441715 /nfs/dbraw/zinc/44/17/15/836441715.db2.gz QDPQVJAGOKPVKQ-UKRRQHHQSA-N 1 1 326.462 0.661 20 30 ECEDMO C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@@H+](CCS(C)(=O)=O)C1 ZINC001266891647 836441721 /nfs/dbraw/zinc/44/17/21/836441721.db2.gz QDPQVJAGOKPVKQ-UKRRQHHQSA-N 1 1 326.462 0.661 20 30 ECEDMO Cc1nscc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266893158 836443003 /nfs/dbraw/zinc/44/30/03/836443003.db2.gz QCGHWVWZRFDFEB-DGCLKSJQSA-N 1 1 349.460 0.922 20 30 ECEDMO Cc1nscc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266893158 836443007 /nfs/dbraw/zinc/44/30/07/836443007.db2.gz QCGHWVWZRFDFEB-DGCLKSJQSA-N 1 1 349.460 0.922 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC(=O)N2CCOCC2)C1 ZINC001266896534 836447823 /nfs/dbraw/zinc/44/78/23/836447823.db2.gz CDUDXKSGNOQAAS-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001266898542 836450599 /nfs/dbraw/zinc/45/05/99/836450599.db2.gz WPDXHMGLNLZASK-KGLIPLIRSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H](CCC)C1 ZINC001266904916 836462771 /nfs/dbraw/zinc/46/27/71/836462771.db2.gz YWZMBVVZAHUZFL-JLOCXQCDSA-N 1 1 347.459 0.378 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H](CCC)C1 ZINC001266904916 836462780 /nfs/dbraw/zinc/46/27/80/836462780.db2.gz YWZMBVVZAHUZFL-JLOCXQCDSA-N 1 1 347.459 0.378 20 30 ECEDMO CN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)C(=O)NCC1CC1 ZINC001266919486 836477945 /nfs/dbraw/zinc/47/79/45/836477945.db2.gz GHFZBEVGAZQKGA-UHFFFAOYSA-N 1 1 332.379 0.772 20 30 ECEDMO C=CCCC(=O)N1CCC[C@H](C(=O)NCC[NH2+]Cc2nccn2C)C1 ZINC001267001708 836592852 /nfs/dbraw/zinc/59/28/52/836592852.db2.gz VLRIDRZGQPSQFH-HNNXBMFYSA-N 1 1 347.463 0.831 20 30 ECEDMO CN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001408553334 836623163 /nfs/dbraw/zinc/62/31/63/836623163.db2.gz BHVJCZNUAJBIOK-ZBFHGGJFSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](C[NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001267038793 836663638 /nfs/dbraw/zinc/66/36/38/836663638.db2.gz ZLKYLOGVNMVDRS-ZDUSSCGKSA-N 1 1 347.419 0.100 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)CCc2ccoc2)C1 ZINC001267103070 836778819 /nfs/dbraw/zinc/77/88/19/836778819.db2.gz RRXLIVMVOIFTTP-HNNXBMFYSA-N 1 1 332.404 0.775 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)CCc2ccoc2)C1 ZINC001267103070 836778822 /nfs/dbraw/zinc/77/88/22/836778822.db2.gz RRXLIVMVOIFTTP-HNNXBMFYSA-N 1 1 332.404 0.775 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)ccn2C)C1 ZINC001267105232 836784193 /nfs/dbraw/zinc/78/41/93/836784193.db2.gz ITTVIBWNERDRKN-HNNXBMFYSA-N 1 1 330.432 0.619 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2c(C)ccn2C)C1 ZINC001267105232 836784197 /nfs/dbraw/zinc/78/41/97/836784197.db2.gz ITTVIBWNERDRKN-HNNXBMFYSA-N 1 1 330.432 0.619 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2ccn(C)n2)C1 ZINC001267105993 836786096 /nfs/dbraw/zinc/78/60/96/836786096.db2.gz NQARGUFPWQSUPB-ZBFHGGJFSA-N 1 1 345.447 0.023 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CCCN2CCCC2=O)C1 ZINC001267106514 836787719 /nfs/dbraw/zinc/78/77/19/836787719.db2.gz QYPOHOWGEJCGSB-DLBZAZTESA-N 1 1 349.475 0.960 20 30 ECEDMO C=CCNC(=O)CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267109835 836793606 /nfs/dbraw/zinc/79/36/06/836793606.db2.gz YEXRVETXSTZEIH-CVEARBPZSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001267142758 836841956 /nfs/dbraw/zinc/84/19/56/836841956.db2.gz VXUFHEKYZQMSOQ-RYUDHWBXSA-N 1 1 334.424 0.011 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)SC ZINC001267159876 836870686 /nfs/dbraw/zinc/87/06/86/836870686.db2.gz APJLYTAIOZOXKO-KGLIPLIRSA-N 1 1 325.478 0.848 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C#N)[nH]1 ZINC001267164024 836883170 /nfs/dbraw/zinc/88/31/70/836883170.db2.gz AJTCMVKBNLEYOB-CQSZACIVSA-N 1 1 342.403 0.501 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001267170726 836903678 /nfs/dbraw/zinc/90/36/78/836903678.db2.gz SFTOKJDVCQTOIH-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001267210935 836999430 /nfs/dbraw/zinc/99/94/30/836999430.db2.gz NPLKCTFJRPPPFW-WCVJEAGWSA-N 1 1 337.464 0.740 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001267210935 836999434 /nfs/dbraw/zinc/99/94/34/836999434.db2.gz NPLKCTFJRPPPFW-WCVJEAGWSA-N 1 1 337.464 0.740 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(CC)CC)c1 ZINC001267214836 837005249 /nfs/dbraw/zinc/00/52/49/837005249.db2.gz FQYIHYIDMZURBU-CQSZACIVSA-N 1 1 330.432 0.981 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)N(CC)CC)c1 ZINC001267214836 837005256 /nfs/dbraw/zinc/00/52/56/837005256.db2.gz FQYIHYIDMZURBU-CQSZACIVSA-N 1 1 330.432 0.981 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@H+](C)C[C@@H]1CCCOC1 ZINC001267220138 837013038 /nfs/dbraw/zinc/01/30/38/837013038.db2.gz JVQXBDUJZIARPC-HOTGVXAUSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1c2ccccc2nn1C ZINC001267225432 837024510 /nfs/dbraw/zinc/02/45/10/837024510.db2.gz VWJSPGWVUWUSBW-CYBMUJFWSA-N 1 1 343.431 0.926 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1c2ccccc2nn1C ZINC001267225432 837024521 /nfs/dbraw/zinc/02/45/21/837024521.db2.gz VWJSPGWVUWUSBW-CYBMUJFWSA-N 1 1 343.431 0.926 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn2c(cccc2C)n1 ZINC001267229661 837031741 /nfs/dbraw/zinc/03/17/41/837031741.db2.gz RTURAKPAVKCBFP-AWEZNQCLSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn2c(cccc2C)n1 ZINC001267229661 837031758 /nfs/dbraw/zinc/03/17/58/837031758.db2.gz RTURAKPAVKCBFP-AWEZNQCLSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001267249598 837068018 /nfs/dbraw/zinc/06/80/18/837068018.db2.gz QBCDRNLRTQVODZ-INIZCTEOSA-N 1 1 331.391 0.653 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001267249598 837068026 /nfs/dbraw/zinc/06/80/26/837068026.db2.gz QBCDRNLRTQVODZ-INIZCTEOSA-N 1 1 331.391 0.653 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](CC)CCNC(=O)C2CC2)c1 ZINC001267251651 837070159 /nfs/dbraw/zinc/07/01/59/837070159.db2.gz MUTNSTWZHDAVFT-UHFFFAOYSA-N 1 1 328.416 0.641 20 30 ECEDMO CCc1c[nH]c(=O)c(C(=O)NCC[N@@H+](CC)CC(=O)NCC#N)c1 ZINC001267253621 837074373 /nfs/dbraw/zinc/07/43/73/837074373.db2.gz PGIVOSGDRQTRBA-UHFFFAOYSA-N 1 1 333.392 0.041 20 30 ECEDMO CCc1c[nH]c(=O)c(C(=O)NCC[N@H+](CC)CC(=O)NCC#N)c1 ZINC001267253621 837074385 /nfs/dbraw/zinc/07/43/85/837074385.db2.gz PGIVOSGDRQTRBA-UHFFFAOYSA-N 1 1 333.392 0.041 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc2c(cn1)OCCC2 ZINC001267254731 837076178 /nfs/dbraw/zinc/07/61/78/837076178.db2.gz BRSXHBQHSIKLRD-UHFFFAOYSA-N 1 1 344.415 0.208 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc2c(cn1)OCCC2 ZINC001267254731 837076187 /nfs/dbraw/zinc/07/61/87/837076187.db2.gz BRSXHBQHSIKLRD-UHFFFAOYSA-N 1 1 344.415 0.208 20 30 ECEDMO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CSCC#N ZINC001267260216 837089564 /nfs/dbraw/zinc/08/95/64/837089564.db2.gz GFPCIMDSTCCBND-STQMWFEESA-N 1 1 326.466 0.738 20 30 ECEDMO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CSCC#N ZINC001267260216 837089573 /nfs/dbraw/zinc/08/95/73/837089573.db2.gz GFPCIMDSTCCBND-STQMWFEESA-N 1 1 326.466 0.738 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCCF ZINC001267272551 837113298 /nfs/dbraw/zinc/11/32/98/837113298.db2.gz PTBCJRNLLGOJEH-LBPRGKRZSA-N 1 1 328.388 0.329 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCCF ZINC001267272551 837113306 /nfs/dbraw/zinc/11/33/06/837113306.db2.gz PTBCJRNLLGOJEH-LBPRGKRZSA-N 1 1 328.388 0.329 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267278843 837123091 /nfs/dbraw/zinc/12/30/91/837123091.db2.gz RRLVIUCWMPGTSJ-UONOGXRCSA-N 1 1 348.447 0.633 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001267278500 837124787 /nfs/dbraw/zinc/12/47/87/837124787.db2.gz LLFZEOJFBJXUIY-VYDXJSESSA-N 1 1 335.448 0.850 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001267278500 837124791 /nfs/dbraw/zinc/12/47/91/837124791.db2.gz LLFZEOJFBJXUIY-VYDXJSESSA-N 1 1 335.448 0.850 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cn2cc(C)cn2)C1 ZINC001267288541 837137768 /nfs/dbraw/zinc/13/77/68/837137768.db2.gz LTWUMJFSADMUIQ-HUUCEWRRSA-N 1 1 333.436 0.320 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001267288795 837140204 /nfs/dbraw/zinc/14/02/04/837140204.db2.gz UXMTYUUIQNJYJI-GJZGRUSLSA-N 1 1 343.493 0.672 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cncc(OC)c2C)C1 ZINC001267296003 837153116 /nfs/dbraw/zinc/15/31/16/837153116.db2.gz FOTDPMPOSDGFEI-CQSZACIVSA-N 1 1 346.431 0.753 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267296963 837156068 /nfs/dbraw/zinc/15/60/68/837156068.db2.gz YOWZNSAYIALQPR-KGLIPLIRSA-N 1 1 347.463 0.643 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001267303203 837169549 /nfs/dbraw/zinc/16/95/49/837169549.db2.gz LLCBSDUALALSIB-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCc2ccccc2)C1 ZINC001267305848 837174462 /nfs/dbraw/zinc/17/44/62/837174462.db2.gz CYCAAUUYMDOMTF-MRXNPFEDSA-N 1 1 328.416 0.697 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCc2ccccc2)C1 ZINC001267305848 837174466 /nfs/dbraw/zinc/17/44/66/837174466.db2.gz CYCAAUUYMDOMTF-MRXNPFEDSA-N 1 1 328.416 0.697 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2(CCOC)CCCC2)C1 ZINC001267309662 837182473 /nfs/dbraw/zinc/18/24/73/837182473.db2.gz NKLAGWXBBXCBFP-MRXNPFEDSA-N 1 1 349.475 0.771 20 30 ECEDMO CN(CC(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)c1ccccc1 ZINC001267308822 837183447 /nfs/dbraw/zinc/18/34/47/837183447.db2.gz GZOZRTJVQIFDTD-HNNXBMFYSA-N 1 1 343.431 0.201 20 30 ECEDMO CN(CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)c1ccccc1 ZINC001267308822 837183453 /nfs/dbraw/zinc/18/34/53/837183453.db2.gz GZOZRTJVQIFDTD-HNNXBMFYSA-N 1 1 343.431 0.201 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)c1c(C)nn(C)c1OC ZINC001267318250 837195172 /nfs/dbraw/zinc/19/51/72/837195172.db2.gz VKXCJLVUPAYXRZ-UHFFFAOYSA-N 1 1 336.436 0.829 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)c1ccc(Cl)cn1 ZINC001267319523 837196082 /nfs/dbraw/zinc/19/60/82/837196082.db2.gz KLOCNZNYGHMHQE-UHFFFAOYSA-N 1 1 336.823 0.926 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)c1ccc(Cl)cn1 ZINC001267319523 837196090 /nfs/dbraw/zinc/19/60/90/837196090.db2.gz KLOCNZNYGHMHQE-UHFFFAOYSA-N 1 1 336.823 0.926 20 30 ECEDMO CC#CC[N@@H+](CCNC(=O)c1cccc(OCC(N)=O)c1)C1CC1 ZINC001267326358 837203516 /nfs/dbraw/zinc/20/35/16/837203516.db2.gz RBYFCEDCQGBTQQ-UHFFFAOYSA-N 1 1 329.400 0.768 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1cnc2n1CCCC2)C1CC1 ZINC001267331926 837214144 /nfs/dbraw/zinc/21/41/44/837214144.db2.gz WVTZIZNRSUHGDM-UHFFFAOYSA-N 1 1 345.447 0.716 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1cnc2n1CCCC2)C1CC1 ZINC001267331926 837214151 /nfs/dbraw/zinc/21/41/51/837214151.db2.gz WVTZIZNRSUHGDM-UHFFFAOYSA-N 1 1 345.447 0.716 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)c1cc2c([nH]1)CCC2)CC(=O)NCC#N ZINC001267334463 837219345 /nfs/dbraw/zinc/21/93/45/837219345.db2.gz MDIYASNAFDTGIT-UHFFFAOYSA-N 1 1 345.447 0.973 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]([NH2+]CC(=O)NC)c2ccccc2)c1 ZINC001267370435 837270740 /nfs/dbraw/zinc/27/07/40/837270740.db2.gz PNQPAPHXNBQQHY-KRWDZBQOSA-N 1 1 336.395 0.870 20 30 ECEDMO Cc1cnc(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C2)cc1C ZINC001267587943 837868735 /nfs/dbraw/zinc/86/87/35/837868735.db2.gz SMLCUBBYNVIGLX-HNNXBMFYSA-N 1 1 343.431 0.732 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001267593332 837889705 /nfs/dbraw/zinc/88/97/05/837889705.db2.gz IIHPZSSREAIWGF-CYBMUJFWSA-N 1 1 329.400 0.887 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ncnn3C)C2)nc1 ZINC001267594281 837894320 /nfs/dbraw/zinc/89/43/20/837894320.db2.gz CHTVQNVPSUZSJA-OAHLLOKOSA-N 1 1 338.415 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@@H]2CC[N@H+](Cc3ncnn3C)C2)nc1 ZINC001267594281 837894323 /nfs/dbraw/zinc/89/43/23/837894323.db2.gz CHTVQNVPSUZSJA-OAHLLOKOSA-N 1 1 338.415 0.833 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001267596978 837902725 /nfs/dbraw/zinc/90/27/25/837902725.db2.gz VNCYEBBSUKCUPO-LSDHHAIUSA-N 1 1 345.447 0.053 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H](OC)C2CC2)CC1 ZINC001267598380 837906282 /nfs/dbraw/zinc/90/62/82/837906282.db2.gz BTTJQUQZUODOHR-YOEHRIQHSA-N 1 1 349.475 0.720 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001267600196 837915640 /nfs/dbraw/zinc/91/56/40/837915640.db2.gz CXQQSZZPUINSAN-KBPBESRZSA-N 1 1 346.431 0.920 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)c2coc(OC)n2)CC1 ZINC001267600288 837916331 /nfs/dbraw/zinc/91/63/31/837916331.db2.gz NOASUYMUFMFZBL-UHFFFAOYSA-N 1 1 348.403 0.217 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)c2nonc2C)CC1 ZINC001267604233 837934660 /nfs/dbraw/zinc/93/46/60/837934660.db2.gz RGYZAQWRDJJFMV-ZDUSSCGKSA-N 1 1 349.435 0.853 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC001267625969 838072880 /nfs/dbraw/zinc/07/28/80/838072880.db2.gz JKDBVYNESSQJTJ-STQMWFEESA-N 1 1 336.354 0.920 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COC)C1 ZINC001267632932 838093934 /nfs/dbraw/zinc/09/39/34/838093934.db2.gz WMKMCKOKRVDWII-FZKCQIBNSA-N 1 1 326.437 0.556 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001267634334 838101807 /nfs/dbraw/zinc/10/18/07/838101807.db2.gz RSUAQLXYUCHRMK-DZGCQCFKSA-N 1 1 327.450 0.062 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C1 ZINC001267652695 838154710 /nfs/dbraw/zinc/15/47/10/838154710.db2.gz CEGVBBRDOQVWHJ-MRXNPFEDSA-N 1 1 327.428 0.815 20 30 ECEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001267653149 838156252 /nfs/dbraw/zinc/15/62/52/838156252.db2.gz MGLOCGWXTODJDV-CQSZACIVSA-N 1 1 329.400 0.578 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(F)CCOCC2)C1 ZINC001267653398 838157265 /nfs/dbraw/zinc/15/72/65/838157265.db2.gz QYRUEYFHKAMIKR-HNNXBMFYSA-N 1 1 326.412 0.935 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001267653793 838158384 /nfs/dbraw/zinc/15/83/84/838158384.db2.gz YWCGXROXCVKYBW-HOTGVXAUSA-N 1 1 335.448 0.285 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001267665597 838190258 /nfs/dbraw/zinc/19/02/58/838190258.db2.gz JROXZIXWXIJEIC-XHSDSOJGSA-N 1 1 335.448 0.603 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC001267670540 838204157 /nfs/dbraw/zinc/20/41/57/838204157.db2.gz OBURDUMPXHQIMY-PBHICJAKSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cnn2C)C1 ZINC001267670917 838204243 /nfs/dbraw/zinc/20/42/43/838204243.db2.gz QCAJKGFXSMBYQP-GJZGRUSLSA-N 1 1 345.447 0.260 20 30 ECEDMO COCCCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267677822 838228346 /nfs/dbraw/zinc/22/83/46/838228346.db2.gz BSLFDXLDCZMIFQ-GFCCVEGCSA-N 1 1 347.419 0.089 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001267683509 838245226 /nfs/dbraw/zinc/24/52/26/838245226.db2.gz MITUKLIPEVOILX-QGZVFWFLSA-N 1 1 347.459 0.333 20 30 ECEDMO CCc1n[nH]c(=O)c(C(=O)NCC2C[NH+](CC#CCOC)C2)c1CC ZINC001267684584 838246029 /nfs/dbraw/zinc/24/60/29/838246029.db2.gz ZDUUZHZTOUFIQS-UHFFFAOYSA-N 1 1 346.431 0.618 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1Cl)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001267684846 838247632 /nfs/dbraw/zinc/24/76/32/838247632.db2.gz SSMCRTHCVFOQOX-CYBMUJFWSA-N 1 1 333.819 0.957 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001267689977 838258681 /nfs/dbraw/zinc/25/86/81/838258681.db2.gz JWVRJDIXDSFQCM-CHWSQXEVSA-N 1 1 338.452 0.952 20 30 ECEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267689631 838259810 /nfs/dbraw/zinc/25/98/10/838259810.db2.gz HCECWCFKBZYMRQ-AWEZNQCLSA-N 1 1 331.482 0.624 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001267689531 838259851 /nfs/dbraw/zinc/25/98/51/838259851.db2.gz FKYSLEJORKXRCG-CQSZACIVSA-N 1 1 330.432 0.768 20 30 ECEDMO CCCN1C[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC#CCOC)C2)CC1=O ZINC001267691179 838262085 /nfs/dbraw/zinc/26/20/85/838262085.db2.gz VKYKBKZRVASHEI-IRXDYDNUSA-N 1 1 349.475 0.675 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H](CCCC)C(N)=O)C2)nc1 ZINC001267697805 838287836 /nfs/dbraw/zinc/28/78/36/838287836.db2.gz QDJRWKCCBWJRIW-INIZCTEOSA-N 1 1 328.416 0.769 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001267697113 838290085 /nfs/dbraw/zinc/29/00/85/838290085.db2.gz OVPVMCAVJNOLBU-KBPBESRZSA-N 1 1 333.436 0.423 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001267703736 838306842 /nfs/dbraw/zinc/30/68/42/838306842.db2.gz VIEGLCOSLMTYGW-ZDUSSCGKSA-N 1 1 338.452 0.825 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C(N)=O)cs2)C1 ZINC001267708451 838316210 /nfs/dbraw/zinc/31/62/10/838316210.db2.gz NDJXOUKDPFIFPM-CYBMUJFWSA-N 1 1 349.456 0.891 20 30 ECEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(=O)(=O)NC ZINC001267715678 838355370 /nfs/dbraw/zinc/35/53/70/838355370.db2.gz DNRNQLQDWFJTMK-KBPBESRZSA-N 1 1 331.482 0.791 20 30 ECEDMO CC(C)SCC(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267718770 838370771 /nfs/dbraw/zinc/37/07/71/838370771.db2.gz QOBCHAWODYIXTL-UHFFFAOYSA-N 1 1 340.493 0.938 20 30 ECEDMO C=CCOCC(=O)N1CCC(C[N@H+](C)CC(=O)N(C)CC)CC1 ZINC001267718886 838371361 /nfs/dbraw/zinc/37/13/61/838371361.db2.gz SOAOIPPZMBLFKR-UHFFFAOYSA-N 1 1 325.453 0.838 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001267724684 838388338 /nfs/dbraw/zinc/38/83/38/838388338.db2.gz JCIUXRTUEBRCNB-KRWDZBQOSA-N 1 1 337.464 0.137 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001267725591 838394078 /nfs/dbraw/zinc/39/40/78/838394078.db2.gz SYKWKOBEUPFQFD-AWEZNQCLSA-N 1 1 344.415 0.769 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001267725591 838394083 /nfs/dbraw/zinc/39/40/83/838394083.db2.gz SYKWKOBEUPFQFD-AWEZNQCLSA-N 1 1 344.415 0.769 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC001267730508 838416618 /nfs/dbraw/zinc/41/66/18/838416618.db2.gz YJZKFLGZTLWWJJ-UHFFFAOYSA-N 1 1 346.431 0.709 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001267747914 838457013 /nfs/dbraw/zinc/45/70/13/838457013.db2.gz GTCYZFWFTCHGQP-NVXWUHKLSA-N 1 1 327.428 0.866 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001267747914 838457016 /nfs/dbraw/zinc/45/70/16/838457016.db2.gz GTCYZFWFTCHGQP-NVXWUHKLSA-N 1 1 327.428 0.866 20 30 ECEDMO O=C(CCn1cnnn1)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001267751014 838471035 /nfs/dbraw/zinc/47/10/35/838471035.db2.gz MBVUDEYKTNQHLS-MRXNPFEDSA-N 1 1 342.378 0.445 20 30 ECEDMO O=C(CCn1cnnn1)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001267751014 838471039 /nfs/dbraw/zinc/47/10/39/838471039.db2.gz MBVUDEYKTNQHLS-MRXNPFEDSA-N 1 1 342.378 0.445 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001267753978 838475551 /nfs/dbraw/zinc/47/55/51/838475551.db2.gz HLTQUCGCKZTHAB-CQSZACIVSA-N 1 1 342.399 0.733 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001267753978 838475553 /nfs/dbraw/zinc/47/55/53/838475553.db2.gz HLTQUCGCKZTHAB-CQSZACIVSA-N 1 1 342.399 0.733 20 30 ECEDMO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001267759562 838485582 /nfs/dbraw/zinc/48/55/82/838485582.db2.gz LADYVDJTUMCWTO-QWHCGFSZSA-N 1 1 330.454 0.008 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001267760616 838487933 /nfs/dbraw/zinc/48/79/33/838487933.db2.gz VWENMSHOIYJKCI-INIZCTEOSA-N 1 1 345.447 0.686 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001267760616 838487939 /nfs/dbraw/zinc/48/79/39/838487939.db2.gz VWENMSHOIYJKCI-INIZCTEOSA-N 1 1 345.447 0.686 20 30 ECEDMO C=CCOCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC001267761003 838488539 /nfs/dbraw/zinc/48/85/39/838488539.db2.gz ZMHJEWFWMVEUES-CVEARBPZSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCOCC(=O)N(C)[C@@H]1CC[N@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC001267761003 838488542 /nfs/dbraw/zinc/48/85/42/838488542.db2.gz ZMHJEWFWMVEUES-CVEARBPZSA-N 1 1 335.448 0.875 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)OCC ZINC001267763144 838494401 /nfs/dbraw/zinc/49/44/01/838494401.db2.gz KQRRPTPZCNWOTB-HUUCEWRRSA-N 1 1 325.453 0.979 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)OCC ZINC001267763144 838494404 /nfs/dbraw/zinc/49/44/04/838494404.db2.gz KQRRPTPZCNWOTB-HUUCEWRRSA-N 1 1 325.453 0.979 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2nc(C)cc2C)C1 ZINC001267766758 838502068 /nfs/dbraw/zinc/50/20/68/838502068.db2.gz DVZDAKMAZMPHAA-OAHLLOKOSA-N 1 1 333.436 0.335 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2nc(C)cc2C)C1 ZINC001267766758 838502072 /nfs/dbraw/zinc/50/20/72/838502072.db2.gz DVZDAKMAZMPHAA-OAHLLOKOSA-N 1 1 333.436 0.335 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccnc2OC)C1 ZINC001267771700 838522148 /nfs/dbraw/zinc/52/21/48/838522148.db2.gz LRTDDSMWZAGBNX-KGLIPLIRSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cccnc2OC)C1 ZINC001267771700 838522153 /nfs/dbraw/zinc/52/21/53/838522153.db2.gz LRTDDSMWZAGBNX-KGLIPLIRSA-N 1 1 346.431 0.927 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001267773266 838531962 /nfs/dbraw/zinc/53/19/62/838531962.db2.gz KRZSHKSFSBMUOS-OAHLLOKOSA-N 1 1 333.457 0.881 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001267773266 838531967 /nfs/dbraw/zinc/53/19/67/838531967.db2.gz KRZSHKSFSBMUOS-OAHLLOKOSA-N 1 1 333.457 0.881 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2n[nH]nc2C)C1 ZINC001267788147 838566432 /nfs/dbraw/zinc/56/64/32/838566432.db2.gz QVPAQMRKXVDJDV-STQMWFEESA-N 1 1 334.424 0.340 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2n[nH]nc2C)C1 ZINC001267788147 838566436 /nfs/dbraw/zinc/56/64/36/838566436.db2.gz QVPAQMRKXVDJDV-STQMWFEESA-N 1 1 334.424 0.340 20 30 ECEDMO CC[C@H](CNC(=O)CSCC#N)[NH2+]Cc1nnc2n1CCOC2 ZINC001267796409 838575655 /nfs/dbraw/zinc/57/56/55/838575655.db2.gz OHEORAJUPOJZOU-LLVKDONJSA-N 1 1 338.437 0.049 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3[nH]cnc32)C1 ZINC001267937521 838820600 /nfs/dbraw/zinc/82/06/00/838820600.db2.gz OKTHDZXGTJIMMR-CYBMUJFWSA-N 1 1 327.388 0.802 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccnc3[nH]cnc32)C1 ZINC001267937521 838820608 /nfs/dbraw/zinc/82/06/08/838820608.db2.gz OKTHDZXGTJIMMR-CYBMUJFWSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001267950306 838844235 /nfs/dbraw/zinc/84/42/35/838844235.db2.gz YBLXCSNXXMSKAM-DZGCQCFKSA-N 1 1 346.431 0.270 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001267950306 838844244 /nfs/dbraw/zinc/84/42/44/838844244.db2.gz YBLXCSNXXMSKAM-DZGCQCFKSA-N 1 1 346.431 0.270 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H](C)C[NH2+][C@H](C)c2noc(C)n2)nn1 ZINC001268004831 838959757 /nfs/dbraw/zinc/95/97/57/838959757.db2.gz IHQOVBPTECHRLS-GHMZBOCLSA-N 1 1 333.396 0.872 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1C[N@H+](CC[C@H]2CCCCO2)CCO1 ZINC001268022327 839000334 /nfs/dbraw/zinc/00/03/34/839000334.db2.gz PALUQVXFWSMACR-SJORKVTESA-N 1 1 338.448 0.803 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1C[N@@H+](CC[C@H]2CCCCO2)CCO1 ZINC001268022327 839000337 /nfs/dbraw/zinc/00/03/37/839000337.db2.gz PALUQVXFWSMACR-SJORKVTESA-N 1 1 338.448 0.803 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001268022594 839001604 /nfs/dbraw/zinc/00/16/04/839001604.db2.gz VEPJTQRNNZUBEO-AWEZNQCLSA-N 1 1 333.436 0.939 20 30 ECEDMO C#CCCCCC(=O)N1CCC2(C[NH+]([C@@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001268043407 839191923 /nfs/dbraw/zinc/19/19/23/839191923.db2.gz JBFPYWSBCINANH-AWEZNQCLSA-N 1 1 348.447 0.688 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC2(C[NH+](CC(=O)NC3CC3)C2)CC1 ZINC001268043110 839192597 /nfs/dbraw/zinc/19/25/97/839192597.db2.gz BULTXNDRRKWUBT-KRWDZBQOSA-N 1 1 335.448 0.517 20 30 ECEDMO C[C@@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)N(C)C(=O)C#CC1CC1 ZINC001268063270 839248004 /nfs/dbraw/zinc/24/80/04/839248004.db2.gz MABOPRCQJZYJES-HOCLYGCPSA-N 1 1 345.447 0.665 20 30 ECEDMO C[C@@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)N(C)C(=O)C#CC1CC1 ZINC001268063269 839249144 /nfs/dbraw/zinc/24/91/44/839249144.db2.gz MABOPRCQJZYJES-GOEBONIOSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000980990589 839293994 /nfs/dbraw/zinc/29/39/94/839293994.db2.gz AJPQSCSTTWDRKC-MRXNPFEDSA-N 1 1 341.415 0.821 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC000980990589 839294008 /nfs/dbraw/zinc/29/40/08/839294008.db2.gz AJPQSCSTTWDRKC-MRXNPFEDSA-N 1 1 341.415 0.821 20 30 ECEDMO N#Cc1ncn(CC(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)n1 ZINC000428534956 210268084 /nfs/dbraw/zinc/26/80/84/210268084.db2.gz GVCSKOSCLPIINW-CQSZACIVSA-N 1 1 326.360 0.355 20 30 ECEDMO COCCCNC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000101546017 219133915 /nfs/dbraw/zinc/13/39/15/219133915.db2.gz PAABVZDZXCNGNS-UHFFFAOYSA-N 1 1 332.404 0.971 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000265175007 247270313 /nfs/dbraw/zinc/27/03/13/247270313.db2.gz FMBJRRNKSSSKPA-GOEBONIOSA-N 1 1 349.431 0.896 20 30 ECEDMO Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000448971965 211268354 /nfs/dbraw/zinc/26/83/54/211268354.db2.gz QKLFCRDIXZEQAX-OAHLLOKOSA-N 1 1 329.404 0.573 20 30 ECEDMO Cn1cc([C@@H]2C[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C[C@H]2CO)cn1 ZINC000444746100 211095455 /nfs/dbraw/zinc/09/54/55/211095455.db2.gz CJVDQGIYLXCGPQ-YESZJQIVSA-N 1 1 339.399 0.526 20 30 ECEDMO Cn1cc([C@@H]2C[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C[C@H]2CO)cn1 ZINC000444746100 211095459 /nfs/dbraw/zinc/09/54/59/211095459.db2.gz CJVDQGIYLXCGPQ-YESZJQIVSA-N 1 1 339.399 0.526 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001077940398 781974498 /nfs/dbraw/zinc/97/44/98/781974498.db2.gz ZRGCCPNBGRKTJF-YSVLISHTSA-N 1 1 326.400 0.782 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000336916411 285002976 /nfs/dbraw/zinc/00/29/76/285002976.db2.gz NGJMVFBRNJLWFO-GJZGRUSLSA-N 1 1 346.497 0.659 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000336916411 285002978 /nfs/dbraw/zinc/00/29/78/285002978.db2.gz NGJMVFBRNJLWFO-GJZGRUSLSA-N 1 1 346.497 0.659 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000413506668 208338004 /nfs/dbraw/zinc/33/80/04/208338004.db2.gz CULHCOHVAWNATB-INIZCTEOSA-N 1 1 344.415 0.847 20 30 ECEDMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428779265 210282122 /nfs/dbraw/zinc/28/21/22/210282122.db2.gz CPKYJWVVZXCFJV-CQSZACIVSA-N 1 1 338.433 0.688 20 30 ECEDMO C#CCNC(=O)c1ccc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)nc1 ZINC000376207134 254754023 /nfs/dbraw/zinc/75/40/23/254754023.db2.gz NFAPFLAJEDVYDV-GDBMZVCRSA-N 1 1 328.416 0.744 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411972038 254767499 /nfs/dbraw/zinc/76/74/99/254767499.db2.gz UYPMHTZOEXQULK-GOSISDBHSA-N 1 1 328.416 0.878 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000419334983 209063088 /nfs/dbraw/zinc/06/30/88/209063088.db2.gz VVXRLEUKEJUDRW-INMHGKMJSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)CN1CCO ZINC000419334983 209063091 /nfs/dbraw/zinc/06/30/91/209063091.db2.gz VVXRLEUKEJUDRW-INMHGKMJSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)CN1CCO ZINC000419334983 209063095 /nfs/dbraw/zinc/06/30/95/209063095.db2.gz VVXRLEUKEJUDRW-INMHGKMJSA-N 1 1 333.432 0.685 20 30 ECEDMO COC(=O)CNC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000193835121 165062487 /nfs/dbraw/zinc/06/24/87/165062487.db2.gz ZTSGTTSFRVMNJA-UHFFFAOYSA-N 1 1 330.388 0.360 20 30 ECEDMO COC(=O)CNC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000193835121 165062491 /nfs/dbraw/zinc/06/24/91/165062491.db2.gz ZTSGTTSFRVMNJA-UHFFFAOYSA-N 1 1 330.388 0.360 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cnnn3C)C2)C1 ZINC001041696867 782013759 /nfs/dbraw/zinc/01/37/59/782013759.db2.gz XRYUHWQQMJQHLV-SOLBZPMBSA-N 1 1 345.447 0.831 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3cnnn3C)C2)C1 ZINC001041696867 782013769 /nfs/dbraw/zinc/01/37/69/782013769.db2.gz XRYUHWQQMJQHLV-SOLBZPMBSA-N 1 1 345.447 0.831 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@@H+]1C[C@@H](C)O ZINC000330423339 287204137 /nfs/dbraw/zinc/20/41/37/287204137.db2.gz SZBBHVLTTWYRJF-BFHYXJOUSA-N 1 1 332.470 0.242 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@H+]1C[C@@H](C)O ZINC000330423339 287204138 /nfs/dbraw/zinc/20/41/38/287204138.db2.gz SZBBHVLTTWYRJF-BFHYXJOUSA-N 1 1 332.470 0.242 20 30 ECEDMO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CC(C)(C)O1 ZINC000284625287 264235571 /nfs/dbraw/zinc/23/55/71/264235571.db2.gz UFXZQXGAJZPOMK-MRXNPFEDSA-N 1 1 348.447 0.981 20 30 ECEDMO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC(C)(C)O1 ZINC000284625287 264235572 /nfs/dbraw/zinc/23/55/72/264235572.db2.gz UFXZQXGAJZPOMK-MRXNPFEDSA-N 1 1 348.447 0.981 20 30 ECEDMO C[N@@H+]1CCN(c2nccc(C#N)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000497167989 270007950 /nfs/dbraw/zinc/00/79/50/270007950.db2.gz XOAFIPHKPZMPRV-CYBMUJFWSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2nccc(C#N)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000497167989 270007951 /nfs/dbraw/zinc/00/79/51/270007951.db2.gz XOAFIPHKPZMPRV-CYBMUJFWSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000297594036 265162918 /nfs/dbraw/zinc/16/29/18/265162918.db2.gz UKHORGGBZDPYQV-ZDUSSCGKSA-N 1 1 344.375 0.604 20 30 ECEDMO CC(C)C[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000342400713 265820472 /nfs/dbraw/zinc/82/04/72/265820472.db2.gz NHRBRSKQFSATLR-ZIAGYGMSSA-N 1 1 334.424 0.574 20 30 ECEDMO C[C@](O)(CNC(=O)Nc1ccc(C#N)c(F)c1)C[NH+]1CCOCC1 ZINC000353560278 267257198 /nfs/dbraw/zinc/25/71/98/267257198.db2.gz MUVIOCLOXRYWCQ-INIZCTEOSA-N 1 1 336.367 0.902 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000361321859 267988606 /nfs/dbraw/zinc/98/86/06/267988606.db2.gz UWDQQGDDBXWKNB-ZIAGYGMSSA-N 1 1 346.362 0.615 20 30 ECEDMO N#Cc1ccc(CNC(=O)CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000378395003 268068043 /nfs/dbraw/zinc/06/80/43/268068043.db2.gz LDKHGVYNKOCKKL-KRWDZBQOSA-N 1 1 328.416 0.581 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000369464873 268131549 /nfs/dbraw/zinc/13/15/49/268131549.db2.gz LZRRQXHYKBPRLD-JKSUJKDBSA-N 1 1 342.399 0.554 20 30 ECEDMO N#Cc1cccc(CNC(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000375012042 268250274 /nfs/dbraw/zinc/25/02/74/268250274.db2.gz JFQZKNDYKHBYQR-QGZVFWFLSA-N 1 1 328.416 0.581 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000347546160 268265039 /nfs/dbraw/zinc/26/50/39/268265039.db2.gz VHSXTVOZLFIXJG-AWEZNQCLSA-N 1 1 336.417 0.640 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000268388349 276750709 /nfs/dbraw/zinc/75/07/09/276750709.db2.gz LNYDGXPXLWYUDV-UHFFFAOYSA-N 1 1 332.364 0.462 20 30 ECEDMO CN(C)C(=O)Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000330717508 437597367 /nfs/dbraw/zinc/59/73/67/437597367.db2.gz UWEZFVMCEXMAPJ-MRXNPFEDSA-N 1 1 347.463 0.889 20 30 ECEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCN[C@H](C)C1)C(C)C ZINC000419563433 277847262 /nfs/dbraw/zinc/84/72/62/277847262.db2.gz BBBSLDQIGGTMFO-CVEARBPZSA-N 1 1 336.480 0.622 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041720092 782051024 /nfs/dbraw/zinc/05/10/24/782051024.db2.gz KQURCNZSUCHCFN-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041720092 782051034 /nfs/dbraw/zinc/05/10/34/782051034.db2.gz KQURCNZSUCHCFN-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000329804531 288114911 /nfs/dbraw/zinc/11/49/11/288114911.db2.gz MCAPVGGIQSREFO-DYEKYZERSA-N 1 1 344.481 0.397 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330178686 288114296 /nfs/dbraw/zinc/11/42/96/288114296.db2.gz DWYSLEQEIKFYCC-BNOWGMLFSA-N 1 1 344.481 0.349 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2CCO)CC1 ZINC000305722619 280134341 /nfs/dbraw/zinc/13/43/41/280134341.db2.gz CSWQKFZBYQUZET-IRXDYDNUSA-N 1 1 336.480 0.916 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCCOCC2)CC1 ZINC000329424208 281910961 /nfs/dbraw/zinc/91/09/61/281910961.db2.gz FYOBFFJGGGJSGJ-CQSZACIVSA-N 1 1 326.441 0.565 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425469039 289019782 /nfs/dbraw/zinc/01/97/82/289019782.db2.gz RXFSFUYRBNPRJY-RRFJBIMHSA-N 1 1 335.452 0.921 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000354434266 437614478 /nfs/dbraw/zinc/61/44/78/437614478.db2.gz YWZHXYXHRQZZEB-LBPRGKRZSA-N 1 1 348.378 0.551 20 30 ECEDMO C=CCCC[C@@H](C)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000340239547 437616352 /nfs/dbraw/zinc/61/63/52/437616352.db2.gz PUJGMKDBZPYRES-CQSZACIVSA-N 1 1 338.452 0.128 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](C[C@H](CC)OC)C[C@H]1O ZINC001077977933 782059429 /nfs/dbraw/zinc/05/94/29/782059429.db2.gz WTOBNQDMPPLFNK-RRFJBIMHSA-N 1 1 349.431 0.846 20 30 ECEDMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329509353 297260459 /nfs/dbraw/zinc/26/04/59/297260459.db2.gz XGJMUCYMRZMEAB-APIJFGDWSA-N 1 1 334.424 0.691 20 30 ECEDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000329606443 297804900 /nfs/dbraw/zinc/80/49/00/297804900.db2.gz MOHWMXHRVAVHNO-UMVBOHGHSA-N 1 1 336.436 0.459 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H](O)COc2cccc(C)c2)CC1 ZINC000025302331 436149537 /nfs/dbraw/zinc/14/95/37/436149537.db2.gz APQAHFOMXNOXBU-KRWDZBQOSA-N 1 1 347.459 0.655 20 30 ECEDMO CO[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000076344701 436202841 /nfs/dbraw/zinc/20/28/41/436202841.db2.gz NYKQJICFNUVQBD-CQSZACIVSA-N 1 1 347.419 0.614 20 30 ECEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000030968028 436223242 /nfs/dbraw/zinc/22/32/42/436223242.db2.gz JZXQMGGWBJCSQK-HNNXBMFYSA-N 1 1 348.422 0.512 20 30 ECEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000077817046 436253987 /nfs/dbraw/zinc/25/39/87/436253987.db2.gz UXQQHAMWVFASEL-ZDUSSCGKSA-N 1 1 330.388 0.963 20 30 ECEDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000080615244 436324919 /nfs/dbraw/zinc/32/49/19/436324919.db2.gz ABYWXIVRDLJORR-QGZVFWFLSA-N 1 1 325.412 0.979 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000086446640 436394090 /nfs/dbraw/zinc/39/40/90/436394090.db2.gz LSBLHWTYUZRSPF-KGLIPLIRSA-N 1 1 346.435 0.972 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](CC)CC2)c1 ZINC000046465644 436396450 /nfs/dbraw/zinc/39/64/50/436396450.db2.gz ODPPWYNDKBIJKR-UHFFFAOYSA-N 1 1 337.445 0.929 20 30 ECEDMO CC(C)(C)OC(=O)N1CCN2C(NCCN3CCCC3)=[NH+]C[C@H]2C1 ZINC000089120117 436405647 /nfs/dbraw/zinc/40/56/47/436405647.db2.gz GFOVXHMLICYLSW-AWEZNQCLSA-N 1 1 337.468 0.963 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CO)CC1 ZINC000091632957 436456873 /nfs/dbraw/zinc/45/68/73/436456873.db2.gz BDRBVXBJQHJWSE-IXDOHACOSA-N 1 1 336.480 0.772 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000092802134 436475995 /nfs/dbraw/zinc/47/59/95/436475995.db2.gz NMWDRYQYPCZCDQ-CQSZACIVSA-N 1 1 342.465 0.248 20 30 ECEDMO COCCN(CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000093168757 436482395 /nfs/dbraw/zinc/48/23/95/436482395.db2.gz PFZDCVNUFYLJHN-UHFFFAOYSA-N 1 1 330.432 0.781 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCCn2cc[nH+]c2C)c1 ZINC000052192047 436504935 /nfs/dbraw/zinc/50/49/35/436504935.db2.gz QXHPCRDAJQXSDM-UHFFFAOYSA-N 1 1 346.412 0.533 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000096990178 436536089 /nfs/dbraw/zinc/53/60/89/436536089.db2.gz JHOODQRRTDFYQX-UHFFFAOYSA-N 1 1 335.429 0.376 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CCCC#N ZINC000104113651 436557530 /nfs/dbraw/zinc/55/75/30/436557530.db2.gz ZYEYBVIPOYKUIK-OAHLLOKOSA-N 1 1 330.498 0.968 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000108459080 436618653 /nfs/dbraw/zinc/61/86/53/436618653.db2.gz CZIDPTKSCHKRDD-MRXNPFEDSA-N 1 1 326.400 0.889 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCO[C@H](C#N)C1 ZINC000114720684 436643339 /nfs/dbraw/zinc/64/33/39/436643339.db2.gz ZZTFJDDCIGXIFM-KBAYOESNSA-N 1 1 342.443 0.990 20 30 ECEDMO C=CC[N@H+](C)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000121410819 436715136 /nfs/dbraw/zinc/71/51/36/436715136.db2.gz FOEJOEFRSZXOQK-GFCCVEGCSA-N 1 1 325.434 0.499 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000194718298 436670499 /nfs/dbraw/zinc/67/04/99/436670499.db2.gz WCUYGIUPUGWELP-AWEZNQCLSA-N 1 1 335.429 0.422 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000194718856 436670933 /nfs/dbraw/zinc/67/09/33/436670933.db2.gz HQKYKZCJDKXNSD-CQSZACIVSA-N 1 1 337.445 0.975 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)nn1CCC#N ZINC000270991361 436677296 /nfs/dbraw/zinc/67/72/96/436677296.db2.gz AEHDIUVSCZFDAC-UHFFFAOYSA-N 1 1 344.419 0.598 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000068445385 436745047 /nfs/dbraw/zinc/74/50/47/436745047.db2.gz MGHBIKGCDQPISH-UHFFFAOYSA-N 1 1 332.404 0.019 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000245849119 436768341 /nfs/dbraw/zinc/76/83/41/436768341.db2.gz FNQXMWJNISVHHO-CXAGYDPISA-N 1 1 336.436 0.364 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000245849119 436768344 /nfs/dbraw/zinc/76/83/44/436768344.db2.gz FNQXMWJNISVHHO-CXAGYDPISA-N 1 1 336.436 0.364 20 30 ECEDMO CC#CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000292999728 436842839 /nfs/dbraw/zinc/84/28/39/436842839.db2.gz CTSFRPALIBLBLX-STQMWFEESA-N 1 1 337.445 0.855 20 30 ECEDMO CC#CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000292999728 436842844 /nfs/dbraw/zinc/84/28/44/436842844.db2.gz CTSFRPALIBLBLX-STQMWFEESA-N 1 1 337.445 0.855 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1C#N ZINC000157190751 436824776 /nfs/dbraw/zinc/82/47/76/436824776.db2.gz FKEYLVCEMYCMBM-UHFFFAOYSA-N 1 1 342.440 0.811 20 30 ECEDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC1 ZINC000129407531 436827259 /nfs/dbraw/zinc/82/72/59/436827259.db2.gz FVYHUMZYDXPMCQ-UHFFFAOYSA-N 1 1 343.431 0.903 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCSC2(CCOCC2)C1 ZINC000274513550 436836820 /nfs/dbraw/zinc/83/68/20/436836820.db2.gz WAMAIHCLSMWXPN-GFCCVEGCSA-N 1 1 327.450 0.985 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000293830359 436913497 /nfs/dbraw/zinc/91/34/97/436913497.db2.gz PTKMYIZRUWHCMC-UHFFFAOYSA-N 1 1 341.389 0.837 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OCC)n(C)c1 ZINC000293887061 436917032 /nfs/dbraw/zinc/91/70/32/436917032.db2.gz UTWKBONGKSVWOC-UHFFFAOYSA-N 1 1 341.433 0.435 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262254653 436919990 /nfs/dbraw/zinc/91/99/90/436919990.db2.gz QLVWEIYDMHBLDT-DLBZAZTESA-N 1 1 348.491 0.767 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)NCC=C)cc1 ZINC000293928841 436920047 /nfs/dbraw/zinc/92/00/47/436920047.db2.gz HTLNNTHKXDYPOX-UHFFFAOYSA-N 1 1 349.456 0.836 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 ZINC000163483756 436923002 /nfs/dbraw/zinc/92/30/02/436923002.db2.gz RBHHOEJXMPMLHN-ZFWWWQNUSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 ZINC000163483756 436923007 /nfs/dbraw/zinc/92/30/07/436923007.db2.gz RBHHOEJXMPMLHN-ZFWWWQNUSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000293998245 436924780 /nfs/dbraw/zinc/92/47/80/436924780.db2.gz OQGKTOWPWZWLAC-UHFFFAOYSA-N 1 1 337.383 0.861 20 30 ECEDMO C[C@@](O)(CNC(=O)CNc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000163672154 436926039 /nfs/dbraw/zinc/92/60/39/436926039.db2.gz SKLRLGWEUPWZFF-QGZVFWFLSA-N 1 1 332.404 0.170 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC ZINC000294015537 436926301 /nfs/dbraw/zinc/92/63/01/436926301.db2.gz PZMMNKVDHGPAEZ-UHFFFAOYSA-N 1 1 347.415 0.926 20 30 ECEDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000293497201 436883814 /nfs/dbraw/zinc/88/38/14/436883814.db2.gz RLICWGINBNHJSR-UHFFFAOYSA-N 1 1 329.397 0.944 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC[C@@](C)(O)c1cccs1 ZINC000261733827 436885713 /nfs/dbraw/zinc/88/57/13/436885713.db2.gz LVGYFPPUKZILLD-CZUORRHYSA-N 1 1 337.493 0.120 20 30 ECEDMO CN1CCC[C@@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000133905729 436887515 /nfs/dbraw/zinc/88/75/15/436887515.db2.gz PNGUNXCRCACJSW-KGLIPLIRSA-N 1 1 337.468 0.961 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162429983 436905074 /nfs/dbraw/zinc/90/50/74/436905074.db2.gz BRRSOXAZMOECAL-SJORKVTESA-N 1 1 348.491 0.814 20 30 ECEDMO COc1cc[nH+]c(N2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000264211114 437018422 /nfs/dbraw/zinc/01/84/22/437018422.db2.gz SGXIQZUMYIWNGL-CQSZACIVSA-N 1 1 331.420 0.973 20 30 ECEDMO C=C1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000264462674 437033661 /nfs/dbraw/zinc/03/36/61/437033661.db2.gz KSIBIPYHYQSZKN-UHFFFAOYSA-N 1 1 337.445 0.645 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000172198974 437003582 /nfs/dbraw/zinc/00/35/82/437003582.db2.gz RQKBSMDCHUNSQD-AATRIKPKSA-N 1 1 326.400 0.852 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000297630943 437008873 /nfs/dbraw/zinc/00/88/73/437008873.db2.gz WPQPNVYOIIJWRH-KRWDZBQOSA-N 1 1 348.491 0.816 20 30 ECEDMO C#CCOc1cccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000264544094 437044584 /nfs/dbraw/zinc/04/45/84/437044584.db2.gz NKJDRTLCANYOJK-UHFFFAOYSA-N 1 1 345.399 0.476 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)cc1C ZINC000284932734 437074542 /nfs/dbraw/zinc/07/45/42/437074542.db2.gz IHIBWLYQDPJPTF-GOSISDBHSA-N 1 1 344.415 0.472 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)cc1C ZINC000284932734 437074545 /nfs/dbraw/zinc/07/45/45/437074545.db2.gz IHIBWLYQDPJPTF-GOSISDBHSA-N 1 1 344.415 0.472 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000285534883 437079419 /nfs/dbraw/zinc/07/94/19/437079419.db2.gz BKXDALRZUQBKHI-AWEZNQCLSA-N 1 1 343.493 0.639 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000286575480 437104770 /nfs/dbraw/zinc/10/47/70/437104770.db2.gz UNCJQLBJLXPWPF-AWEZNQCLSA-N 1 1 341.477 0.203 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000304720547 437160770 /nfs/dbraw/zinc/16/07/70/437160770.db2.gz OKFOWMDQMQLAPW-RYRKJORJSA-N 1 1 336.480 0.962 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000305782780 437164408 /nfs/dbraw/zinc/16/44/08/437164408.db2.gz VQLSBEOPDVBPIX-CABCVRRESA-N 1 1 348.472 0.914 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000286764372 437128669 /nfs/dbraw/zinc/12/86/69/437128669.db2.gz XTEQKJKKSXCBEC-OAHLLOKOSA-N 1 1 349.431 0.674 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)nc1 ZINC000301721858 437130395 /nfs/dbraw/zinc/13/03/95/437130395.db2.gz NFLKWBDTXFQBLN-DLBZAZTESA-N 1 1 342.443 0.870 20 30 ECEDMO CC[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@@H+]1C[C@H](C)O ZINC000331912134 437180647 /nfs/dbraw/zinc/18/06/47/437180647.db2.gz DBWLLOUDZWMYSV-KBPBESRZSA-N 1 1 329.466 0.787 20 30 ECEDMO CC[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@H+]1C[C@H](C)O ZINC000331912134 437180650 /nfs/dbraw/zinc/18/06/50/437180650.db2.gz DBWLLOUDZWMYSV-KBPBESRZSA-N 1 1 329.466 0.787 20 30 ECEDMO CN(C[C@H]1CCCCO1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000328807929 437267830 /nfs/dbraw/zinc/26/78/30/437267830.db2.gz IJXHRKOQZHKKJG-CQSZACIVSA-N 1 1 326.441 0.565 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000328825136 437268813 /nfs/dbraw/zinc/26/88/13/437268813.db2.gz PYBKYSPPCXCCLT-KGLIPLIRSA-N 1 1 346.497 0.774 20 30 ECEDMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000266132331 437221876 /nfs/dbraw/zinc/22/18/76/437221876.db2.gz RPJPFZFJJMEFOH-GXTWGEPZSA-N 1 1 325.438 0.992 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000332481926 437226215 /nfs/dbraw/zinc/22/62/15/437226215.db2.gz YNLKEOCUDYJDCO-UHFFFAOYSA-N 1 1 331.401 0.803 20 30 ECEDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000328614675 437240287 /nfs/dbraw/zinc/24/02/87/437240287.db2.gz RFJUPKGMBQERNV-OEAJRASXSA-N 1 1 336.436 0.952 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CC([NH+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000328646510 437247390 /nfs/dbraw/zinc/24/73/90/437247390.db2.gz SPPOZBLLYYJOMU-JXQTWKCFSA-N 1 1 325.409 0.601 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CC([NH+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000328646510 437247393 /nfs/dbraw/zinc/24/73/93/437247393.db2.gz SPPOZBLLYYJOMU-JXQTWKCFSA-N 1 1 325.409 0.601 20 30 ECEDMO C[NH+]1CCO[C@@H](C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000328646510 437247394 /nfs/dbraw/zinc/24/73/94/437247394.db2.gz SPPOZBLLYYJOMU-JXQTWKCFSA-N 1 1 325.409 0.601 20 30 ECEDMO C[NH+]1CCO[C@@H](C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000328646510 437247395 /nfs/dbraw/zinc/24/73/95/437247395.db2.gz SPPOZBLLYYJOMU-JXQTWKCFSA-N 1 1 325.409 0.601 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000266824079 437251613 /nfs/dbraw/zinc/25/16/13/437251613.db2.gz LXBPPZIEBITTPQ-DKASORFFSA-N 1 1 335.408 0.296 20 30 ECEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000328708792 437254799 /nfs/dbraw/zinc/25/47/99/437254799.db2.gz FSCWWSIDMQGXHV-KBPBESRZSA-N 1 1 346.497 0.456 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000328721886 437255282 /nfs/dbraw/zinc/25/52/82/437255282.db2.gz ROQLFJBLSXSHES-LSDHHAIUSA-N 1 1 335.456 0.150 20 30 ECEDMO C[C@H](CNC(=O)N1CCN(C2CC2)C(=O)C1)CN1CC[NH+](C)CC1 ZINC000328727670 437257427 /nfs/dbraw/zinc/25/74/27/437257427.db2.gz VDUJCMQPHZAMFB-CQSZACIVSA-N 1 1 337.468 0.091 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000278356661 437306963 /nfs/dbraw/zinc/30/69/63/437306963.db2.gz RBONSDXYRVIZAJ-NXHRZFHOSA-N 1 1 334.416 0.937 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000336916207 437308978 /nfs/dbraw/zinc/30/89/78/437308978.db2.gz NBPHIVSEWFJMSM-AWEZNQCLSA-N 1 1 344.481 0.652 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000336916207 437308982 /nfs/dbraw/zinc/30/89/82/437308982.db2.gz NBPHIVSEWFJMSM-AWEZNQCLSA-N 1 1 344.481 0.652 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000336917134 437310774 /nfs/dbraw/zinc/31/07/74/437310774.db2.gz NWVSJXSETAWTIM-LSDHHAIUSA-N 1 1 346.497 0.803 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333615322 437278274 /nfs/dbraw/zinc/27/82/74/437278274.db2.gz RAOMBMRLRWMFGX-KFWWJZLASA-N 1 1 336.436 0.326 20 30 ECEDMO Cn1ncnc1[C@H]1COCCN1C(=O)NCC[NH+]1CCSCC1 ZINC000328900939 437280598 /nfs/dbraw/zinc/28/05/98/437280598.db2.gz YMUGUVVDSICGAE-GFCCVEGCSA-N 1 1 340.453 0.151 20 30 ECEDMO CN1C(=O)NCC12CC[NH+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000333778797 437287057 /nfs/dbraw/zinc/28/70/57/437287057.db2.gz UAXRDDIGZJURAP-UHFFFAOYSA-N 1 1 333.436 0.819 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000333885760 437289646 /nfs/dbraw/zinc/28/96/46/437289646.db2.gz FRSZYNKHDONFEP-AWEZNQCLSA-N 1 1 333.436 0.628 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000288183801 437290429 /nfs/dbraw/zinc/29/04/29/437290429.db2.gz NICKNCKWONPBJW-OAHLLOKOSA-N 1 1 327.388 0.332 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CC1(C#N)CC1 ZINC000180412608 437290428 /nfs/dbraw/zinc/29/04/28/437290428.db2.gz UANGWLMXYAIJOM-HNNXBMFYSA-N 1 1 342.509 0.968 20 30 ECEDMO CNC(=O)c1ccn([C@@H]2CCC[N@H+](CC(=O)NC(=O)NC3CC3)C2)n1 ZINC000328963020 437295453 /nfs/dbraw/zinc/29/54/53/437295453.db2.gz QXCAXGRCKSUSTA-GFCCVEGCSA-N 1 1 348.407 0.913 20 30 ECEDMO CNC(=O)c1ccn([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)n1 ZINC000328963020 437295454 /nfs/dbraw/zinc/29/54/54/437295454.db2.gz QXCAXGRCKSUSTA-GFCCVEGCSA-N 1 1 348.407 0.913 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)s1 ZINC000267169031 437299738 /nfs/dbraw/zinc/29/97/38/437299738.db2.gz HRRMXMNAIIIKFZ-KBPBESRZSA-N 1 1 341.458 0.207 20 30 ECEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000329301308 437349157 /nfs/dbraw/zinc/34/91/57/437349157.db2.gz MWOXDABLQGFJRW-KBPBESRZSA-N 1 1 325.457 0.137 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)[C@@H](C)C1 ZINC000329366946 437356743 /nfs/dbraw/zinc/35/67/43/437356743.db2.gz HCSOPPFQPGSKKZ-ZQDZILKHSA-N 1 1 336.440 0.794 20 30 ECEDMO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2COC[C@H]2n2ccnn2)[C@@H](C)C1 ZINC000329366946 437356747 /nfs/dbraw/zinc/35/67/47/437356747.db2.gz HCSOPPFQPGSKKZ-ZQDZILKHSA-N 1 1 336.440 0.794 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2COC[C@H]2n2ccnn2)[C@@H](C)C1 ZINC000329366946 437356750 /nfs/dbraw/zinc/35/67/50/437356750.db2.gz HCSOPPFQPGSKKZ-ZQDZILKHSA-N 1 1 336.440 0.794 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC(=O)N1CCCCCC1 ZINC000329450166 437370939 /nfs/dbraw/zinc/37/09/39/437370939.db2.gz LJWFOKXZGDQZAU-OAHLLOKOSA-N 1 1 339.484 0.529 20 30 ECEDMO COc1ccc(CNC(=[NH2+])NC[C@@H]2CN(C)CCN2C)cc1OC ZINC000267395275 437327930 /nfs/dbraw/zinc/32/79/30/437327930.db2.gz DYIMGNDFHJLMDP-CQSZACIVSA-N 1 1 335.452 0.354 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000329197775 437334225 /nfs/dbraw/zinc/33/42/25/437334225.db2.gz ACQQCPPCXLWJRA-LSDHHAIUSA-N 1 1 337.468 0.091 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000337154159 437336405 /nfs/dbraw/zinc/33/64/05/437336405.db2.gz MPWDSFBLKMXAID-AWEZNQCLSA-N 1 1 346.497 0.803 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc3c(c2)OCO3)C1=O ZINC000337181461 437338009 /nfs/dbraw/zinc/33/80/09/437338009.db2.gz MPCIAAOIPPDLCE-UKRRQHHQSA-N 1 1 348.399 0.874 20 30 ECEDMO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000329239771 437338680 /nfs/dbraw/zinc/33/86/80/437338680.db2.gz MFFMORZJIPVYAP-QLFBSQMISA-N 1 1 339.436 0.691 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCS1(=O)=O ZINC000329732688 437407539 /nfs/dbraw/zinc/40/75/39/437407539.db2.gz JAUREZYUSQSHJE-YPMHNXCESA-N 1 1 335.495 0.457 20 30 ECEDMO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)CC[N@H+]1C[C@H](C)O ZINC000329753281 437409515 /nfs/dbraw/zinc/40/95/15/437409515.db2.gz JYOBIJQMKXWFSS-NWANDNLSSA-N 1 1 335.452 0.958 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC[N@@H+]1C[C@H](C)O ZINC000329753281 437409517 /nfs/dbraw/zinc/40/95/17/437409517.db2.gz JYOBIJQMKXWFSS-NWANDNLSSA-N 1 1 335.452 0.958 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC[N@H+]1C[C@H](C)O ZINC000329753281 437409522 /nfs/dbraw/zinc/40/95/22/437409522.db2.gz JYOBIJQMKXWFSS-NWANDNLSSA-N 1 1 335.452 0.958 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCN1CCCS1(=O)=O ZINC000329795261 437414397 /nfs/dbraw/zinc/41/43/97/437414397.db2.gz CSDBVGOELJYPSH-YPMHNXCESA-N 1 1 330.454 0.008 20 30 ECEDMO CN1CCO[C@@H]2C[N@@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000329895535 437426897 /nfs/dbraw/zinc/42/68/97/437426897.db2.gz BZRNFQFKQMTHHM-ARFHVFGLSA-N 1 1 340.383 0.205 20 30 ECEDMO CN1CCO[C@@H]2C[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]21 ZINC000329895535 437426904 /nfs/dbraw/zinc/42/69/04/437426904.db2.gz BZRNFQFKQMTHHM-ARFHVFGLSA-N 1 1 340.383 0.205 20 30 ECEDMO CCC[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@@H+]1CCOC ZINC000337758917 437379026 /nfs/dbraw/zinc/37/90/26/437379026.db2.gz JAVDLJHPNYBONJ-GJZGRUSLSA-N 1 1 346.497 0.898 20 30 ECEDMO CCC[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@H+]1CCOC ZINC000337758917 437379028 /nfs/dbraw/zinc/37/90/28/437379028.db2.gz JAVDLJHPNYBONJ-GJZGRUSLSA-N 1 1 346.497 0.898 20 30 ECEDMO CCC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@@H+]1CCOC ZINC000337758919 437379151 /nfs/dbraw/zinc/37/91/51/437379151.db2.gz JAVDLJHPNYBONJ-LSDHHAIUSA-N 1 1 346.497 0.898 20 30 ECEDMO CCC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@H+]1CCOC ZINC000337758919 437379155 /nfs/dbraw/zinc/37/91/55/437379155.db2.gz JAVDLJHPNYBONJ-LSDHHAIUSA-N 1 1 346.497 0.898 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184088903 437396339 /nfs/dbraw/zinc/39/63/39/437396339.db2.gz XUYDUPIUXPIDNW-UHFFFAOYSA-N 1 1 334.420 0.771 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184088903 437396343 /nfs/dbraw/zinc/39/63/43/437396343.db2.gz XUYDUPIUXPIDNW-UHFFFAOYSA-N 1 1 334.420 0.771 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000330253432 437475030 /nfs/dbraw/zinc/47/50/30/437475030.db2.gz IWEASVRZQOMDNO-KGLIPLIRSA-N 1 1 338.452 0.706 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC000330335017 437484367 /nfs/dbraw/zinc/48/43/67/437484367.db2.gz RCMLEUWLWUEQFW-DYEKYZERSA-N 1 1 329.466 0.892 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC000330335017 437484371 /nfs/dbraw/zinc/48/43/71/437484371.db2.gz RCMLEUWLWUEQFW-DYEKYZERSA-N 1 1 329.466 0.892 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCO[C@H]2CC[N@@H+](CC)C[C@H]21 ZINC000339016128 437433724 /nfs/dbraw/zinc/43/37/24/437433724.db2.gz GHVIBDINFHMERP-KGLIPLIRSA-N 1 1 330.454 0.262 20 30 ECEDMO CC(=O)N1CCN(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329980742 437441248 /nfs/dbraw/zinc/44/12/48/437441248.db2.gz LZASHGCXYWXSDO-CABCVRRESA-N 1 1 339.484 0.479 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H](N3CCCC3=O)C2)n1C ZINC000330053437 437448733 /nfs/dbraw/zinc/44/87/33/437448733.db2.gz QKQSSYPFRMSVNW-LBPRGKRZSA-N 1 1 334.424 0.597 20 30 ECEDMO N#Cc1ccc(OCCNC(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000187215445 437494913 /nfs/dbraw/zinc/49/49/13/437494913.db2.gz RDFMKHMCGOYZLJ-UHFFFAOYSA-N 1 1 332.404 0.959 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC[N@@H+]1C[C@@H](C)O ZINC000330413373 437504991 /nfs/dbraw/zinc/50/49/91/437504991.db2.gz ZRKNJKQRRNVDRR-RBSFLKMASA-N 1 1 346.497 0.490 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC[N@H+]1C[C@@H](C)O ZINC000330413373 437504995 /nfs/dbraw/zinc/50/49/95/437504995.db2.gz ZRKNJKQRRNVDRR-RBSFLKMASA-N 1 1 346.497 0.490 20 30 ECEDMO CCNC(=O)N1CCN(C(=O)[C@H](CC)[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC000330465983 437518986 /nfs/dbraw/zinc/51/89/86/437518986.db2.gz WKYDHKFTYHUPNH-CABCVRRESA-N 1 1 340.468 0.954 20 30 ECEDMO CCNC(=O)N1CCN(C(=O)[C@H](CC)[N@H+]2CCO[C@H](CC)C2)CC1 ZINC000330465983 437518990 /nfs/dbraw/zinc/51/89/90/437518990.db2.gz WKYDHKFTYHUPNH-CABCVRRESA-N 1 1 340.468 0.954 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)c1C#N ZINC000188154418 437530542 /nfs/dbraw/zinc/53/05/42/437530542.db2.gz WCFXUIAQPCGCGZ-UHFFFAOYSA-N 1 1 330.388 0.644 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)c1C#N ZINC000188154418 437530543 /nfs/dbraw/zinc/53/05/43/437530543.db2.gz WCFXUIAQPCGCGZ-UHFFFAOYSA-N 1 1 330.388 0.644 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2[nH+]ccn2C)CC1 ZINC000330523835 437536914 /nfs/dbraw/zinc/53/69/14/437536914.db2.gz PKBGMLXEUWFDQD-PBHICJAKSA-N 1 1 332.452 0.985 20 30 ECEDMO CC(C)[C@H](CNC(=O)C(=O)N1CCC(C#N)CC1)[NH+]1CCN(C)CC1 ZINC000340002747 437543985 /nfs/dbraw/zinc/54/39/85/437543985.db2.gz PNQYKRZKELRFBR-INIZCTEOSA-N 1 1 349.479 0.137 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OC)nc2)CC1 ZINC000354180706 437552242 /nfs/dbraw/zinc/55/22/42/437552242.db2.gz OUBYBYVIQWSPIE-UHFFFAOYSA-N 1 1 339.417 0.797 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1sccc1C#N ZINC000340038385 437553819 /nfs/dbraw/zinc/55/38/19/437553819.db2.gz VMPPQSXPFHHBKA-GFCCVEGCSA-N 1 1 336.417 0.785 20 30 ECEDMO C=C[C@@H](CO)NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000291436648 437589853 /nfs/dbraw/zinc/58/98/53/437589853.db2.gz ZNRMBBWCQYRLSR-HNNXBMFYSA-N 1 1 333.436 0.440 20 30 ECEDMO C[C@H](CNC(=O)N1CCC[C@@H](CNC(N)=O)C1)C[NH+]1CCOCC1 ZINC000330839362 437628783 /nfs/dbraw/zinc/62/87/83/437628783.db2.gz JGKUGOWTVGZNRB-KGLIPLIRSA-N 1 1 341.456 0.663 20 30 ECEDMO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000330867912 437637939 /nfs/dbraw/zinc/63/79/39/437637939.db2.gz WBCMCPIMVNSNEY-KBPBESRZSA-N 1 1 347.481 0.520 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000343739812 437643584 /nfs/dbraw/zinc/64/35/84/437643584.db2.gz NEIYXXIJAAOYTK-HOCLYGCPSA-N 1 1 336.480 0.552 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000330929141 437652064 /nfs/dbraw/zinc/65/20/64/437652064.db2.gz YDHUHKSXRWPHAR-CYBMUJFWSA-N 1 1 346.497 0.318 20 30 ECEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000354894917 437655616 /nfs/dbraw/zinc/65/56/16/437655616.db2.gz XLFDRWGZNHVYHS-ZDUSSCGKSA-N 1 1 334.424 0.972 20 30 ECEDMO C=CCOC[C@@H](NCc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)OC ZINC000361105880 437657161 /nfs/dbraw/zinc/65/71/61/437657161.db2.gz DCTODWPUIYTBFN-OAHLLOKOSA-N 1 1 349.435 0.062 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)CC1 ZINC000192178581 437667791 /nfs/dbraw/zinc/66/77/91/437667791.db2.gz GTZNEKQRPJNBSD-ZDUSSCGKSA-N 1 1 329.466 0.713 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)[C@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000331092069 437686669 /nfs/dbraw/zinc/68/66/69/437686669.db2.gz IRJSBWCFQHAMJK-KBPBESRZSA-N 1 1 330.450 0.898 20 30 ECEDMO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)OCC ZINC000361800133 437686906 /nfs/dbraw/zinc/68/69/06/437686906.db2.gz PVWWEAFEHOQOAL-SJORKVTESA-N 1 1 339.480 0.880 20 30 ECEDMO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)OCC ZINC000361800130 437687125 /nfs/dbraw/zinc/68/71/25/437687125.db2.gz PVWWEAFEHOQOAL-DLBZAZTESA-N 1 1 339.480 0.880 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000343902185 437688379 /nfs/dbraw/zinc/68/83/79/437688379.db2.gz BOTZOZLOEYDHCB-ZBFHGGJFSA-N 1 1 348.491 0.885 20 30 ECEDMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000331129430 437694010 /nfs/dbraw/zinc/69/40/10/437694010.db2.gz IWCKLQVAUQWGLK-CQSZACIVSA-N 1 1 338.433 0.651 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000331129430 437694012 /nfs/dbraw/zinc/69/40/12/437694012.db2.gz IWCKLQVAUQWGLK-CQSZACIVSA-N 1 1 338.433 0.651 20 30 ECEDMO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000331211484 437719009 /nfs/dbraw/zinc/71/90/09/437719009.db2.gz JEFMWJKNHCFGML-QMMMGPOBSA-N 1 1 345.343 0.088 20 30 ECEDMO C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000331211484 437719013 /nfs/dbraw/zinc/71/90/13/437719013.db2.gz JEFMWJKNHCFGML-QMMMGPOBSA-N 1 1 345.343 0.088 20 30 ECEDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000362134083 437719244 /nfs/dbraw/zinc/71/92/44/437719244.db2.gz MSLUKIMJOAGZRH-UHFFFAOYSA-N 1 1 341.433 0.813 20 30 ECEDMO CN(CCC#N)S(=O)(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000331221105 437720399 /nfs/dbraw/zinc/72/03/99/437720399.db2.gz YLMQAWQCJMGZJT-UHFFFAOYSA-N 1 1 326.426 0.069 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1C#N ZINC000340974441 437766080 /nfs/dbraw/zinc/76/60/80/437766080.db2.gz QUSFNSVOUQDTFK-CQSZACIVSA-N 1 1 342.399 0.785 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1C#N ZINC000340974441 437766082 /nfs/dbraw/zinc/76/60/82/437766082.db2.gz QUSFNSVOUQDTFK-CQSZACIVSA-N 1 1 342.399 0.785 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340794640 437735444 /nfs/dbraw/zinc/73/54/44/437735444.db2.gz HZKRREFOEXEXPL-UGUYLWEFSA-N 1 1 335.448 0.827 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)nn1CCC#N ZINC000344441440 437753687 /nfs/dbraw/zinc/75/36/87/437753687.db2.gz LJCGPLGBZQAKBE-QWHCGFSZSA-N 1 1 332.408 0.643 20 30 ECEDMO N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000362851210 437758288 /nfs/dbraw/zinc/75/82/88/437758288.db2.gz LTPSSEZQDSQRLI-IAGOWNOFSA-N 1 1 334.464 0.935 20 30 ECEDMO CC(C)C[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1ccc(C#N)cc1 ZINC000346800380 437820839 /nfs/dbraw/zinc/82/08/39/437820839.db2.gz XXJBYVIFKHLYNS-UHFFFAOYSA-N 1 1 328.416 0.975 20 30 ECEDMO N#CCCCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000346868829 437823581 /nfs/dbraw/zinc/82/35/81/437823581.db2.gz IMUJWMFEWDEWEG-OAHLLOKOSA-N 1 1 336.436 0.510 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000364917979 437827826 /nfs/dbraw/zinc/82/78/26/437827826.db2.gz BIBZMNHWDZUGMH-CQSZACIVSA-N 1 1 330.384 0.682 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CNc2ccc(C#N)cn2)CC1 ZINC000345399253 437787748 /nfs/dbraw/zinc/78/77/48/437787748.db2.gz ASURVZDJXRRRNI-HNNXBMFYSA-N 1 1 344.463 0.755 20 30 ECEDMO Cn1ncc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1C#N ZINC000356606586 437795646 /nfs/dbraw/zinc/79/56/46/437795646.db2.gz YSXOCTSDPJEOLF-HUUCEWRRSA-N 1 1 339.399 0.657 20 30 ECEDMO N#Cc1ccnc(N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000363888281 437808059 /nfs/dbraw/zinc/80/80/59/437808059.db2.gz JHVFVCDCANAQRK-AWEZNQCLSA-N 1 1 346.391 0.680 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)N1CCC(C#N)(COC)CC1 ZINC000341568442 437867640 /nfs/dbraw/zinc/86/76/40/437867640.db2.gz PMOYAEZMRQYKBN-UHFFFAOYSA-N 1 1 326.441 0.916 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000365182214 437868896 /nfs/dbraw/zinc/86/88/96/437868896.db2.gz GZNIWSLJPNBTPL-JKSUJKDBSA-N 1 1 348.447 0.021 20 30 ECEDMO N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCC(F)(F)C[NH3+])c1 ZINC000415614959 437831463 /nfs/dbraw/zinc/83/14/63/437831463.db2.gz PXTRWFKVMMQUCU-UHFFFAOYSA-N 1 1 348.256 0.808 20 30 ECEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000415614559 437831947 /nfs/dbraw/zinc/83/19/47/437831947.db2.gz PAXOQNJHUNLCAU-UHFFFAOYSA-N 1 1 340.330 0.994 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000416449145 437934614 /nfs/dbraw/zinc/93/46/14/437934614.db2.gz ITIDPUXVOHQNPU-FVQBIDKESA-N 1 1 337.445 0.701 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)nn1CCC#N ZINC000341830107 437904746 /nfs/dbraw/zinc/90/47/46/437904746.db2.gz YXHOCEHHZNVVAP-QGZVFWFLSA-N 1 1 344.419 0.598 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416302538 437910827 /nfs/dbraw/zinc/91/08/27/437910827.db2.gz WTXKWKBHWFNIEN-UONOGXRCSA-N 1 1 347.415 0.859 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416302538 437910832 /nfs/dbraw/zinc/91/08/32/437910832.db2.gz WTXKWKBHWFNIEN-UONOGXRCSA-N 1 1 347.415 0.859 20 30 ECEDMO C=CC[C@@H](CO)CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000341850279 437911611 /nfs/dbraw/zinc/91/16/11/437911611.db2.gz SARCTZXYACMQCY-CYBMUJFWSA-N 1 1 326.441 0.023 20 30 ECEDMO Cc1cc(=NC(=O)N=c2ccn(CC[NH+](C)C)[nH]2)[nH]n1CCC#N ZINC000347587860 437912198 /nfs/dbraw/zinc/91/21/98/437912198.db2.gz FRJANXAHVXLWKQ-UHFFFAOYSA-N 1 1 330.396 0.351 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(CC(=O)N(CCC#N)CCC#N)[C@H](C)C1 ZINC000342283258 437991376 /nfs/dbraw/zinc/99/13/76/437991376.db2.gz PWIDJZJHWTVRHW-OAHLLOKOSA-N 1 1 349.435 0.212 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(CC(=O)N(CCC#N)CCC#N)[C@H](C)C1 ZINC000342283258 437991384 /nfs/dbraw/zinc/99/13/84/437991384.db2.gz PWIDJZJHWTVRHW-OAHLLOKOSA-N 1 1 349.435 0.212 20 30 ECEDMO CN1C(=O)CSC12CC[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000371625391 437967815 /nfs/dbraw/zinc/96/78/15/437967815.db2.gz VSPJXHZBEKOZNV-HNNXBMFYSA-N 1 1 336.461 0.792 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000342152937 437973702 /nfs/dbraw/zinc/97/37/02/437973702.db2.gz BGWTUMKEUXLHMY-XHSDSOJGSA-N 1 1 337.464 0.620 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348110736 438016060 /nfs/dbraw/zinc/01/60/60/438016060.db2.gz VNJMPZRLQMKIMC-RYUDHWBXSA-N 1 1 325.413 0.627 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348110736 438016065 /nfs/dbraw/zinc/01/60/65/438016065.db2.gz VNJMPZRLQMKIMC-RYUDHWBXSA-N 1 1 325.413 0.627 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426145770 438049050 /nfs/dbraw/zinc/04/90/50/438049050.db2.gz NJLGWZQAUVFUHS-NWDGAFQWSA-N 1 1 348.369 0.995 20 30 ECEDMO C=CC[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000357549008 438007441 /nfs/dbraw/zinc/00/74/41/438007441.db2.gz CMULXJPUHYJSMC-UHFFFAOYSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CC[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000357549008 438007445 /nfs/dbraw/zinc/00/74/45/438007445.db2.gz CMULXJPUHYJSMC-UHFFFAOYSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000372546454 438096460 /nfs/dbraw/zinc/09/64/60/438096460.db2.gz KZLIKVFOGGKVMW-CYBMUJFWSA-N 1 1 326.441 0.165 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)CCCC ZINC000357975533 438114034 /nfs/dbraw/zinc/11/40/34/438114034.db2.gz POXCLFUOZFCQJG-HUUCEWRRSA-N 1 1 325.453 0.932 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCCO1 ZINC000372977715 438122397 /nfs/dbraw/zinc/12/23/97/438122397.db2.gz FXAQERKFBWLVDI-WBVHZDCISA-N 1 1 349.479 0.869 20 30 ECEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000349536066 438159074 /nfs/dbraw/zinc/15/90/74/438159074.db2.gz MELBVTBTFOTPQP-CYBMUJFWSA-N 1 1 329.466 0.787 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000349536066 438159080 /nfs/dbraw/zinc/15/90/80/438159080.db2.gz MELBVTBTFOTPQP-CYBMUJFWSA-N 1 1 329.466 0.787 20 30 ECEDMO C[NH+]1CCN(C(=O)CN2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000367550718 438224102 /nfs/dbraw/zinc/22/41/02/438224102.db2.gz UIYBNICCIUZGDZ-KRWDZBQOSA-N 1 1 328.416 0.706 20 30 ECEDMO CC1(C)CN(C(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000358316933 438199940 /nfs/dbraw/zinc/19/99/40/438199940.db2.gz SYHXEQQYRSLNAQ-UHFFFAOYSA-N 1 1 343.431 0.932 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000375626962 438259025 /nfs/dbraw/zinc/25/90/25/438259025.db2.gz VBNLMKTUVCZVLZ-TZMCWYRMSA-N 1 1 333.392 0.489 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000375626962 438259030 /nfs/dbraw/zinc/25/90/30/438259030.db2.gz VBNLMKTUVCZVLZ-TZMCWYRMSA-N 1 1 333.392 0.489 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000367793087 438250949 /nfs/dbraw/zinc/25/09/49/438250949.db2.gz PIXHXDNGMALEGB-ZIAGYGMSSA-N 1 1 329.466 0.713 20 30 ECEDMO C[C@H]1C[NH+](CCOC2CCN(CC(=O)NCC#N)CC2)C[C@H](C)O1 ZINC000358872036 438320341 /nfs/dbraw/zinc/32/03/41/438320341.db2.gz LPMZIMNLBJCDBC-GJZGRUSLSA-N 1 1 338.452 0.216 20 30 ECEDMO N#CCNC(=O)CNC(=O)N1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC000377043044 438299438 /nfs/dbraw/zinc/29/94/38/438299438.db2.gz DIYSTHDDSWITRB-HOTGVXAUSA-N 1 1 341.415 0.542 20 30 ECEDMO C=CCN(CCc1ccccc1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420160788 438391081 /nfs/dbraw/zinc/39/10/81/438391081.db2.gz BINAONNRBUYSJO-UHFFFAOYSA-N 1 1 325.359 0.954 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000368788913 438379962 /nfs/dbraw/zinc/37/99/62/438379962.db2.gz ALAFNVLGQIVDHN-KRWDZBQOSA-N 1 1 328.372 0.594 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000437313361 438443337 /nfs/dbraw/zinc/44/33/37/438443337.db2.gz RFOIOJVHRZQSEC-CYBMUJFWSA-N 1 1 346.435 1.074 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000403979897 438463891 /nfs/dbraw/zinc/46/38/91/438463891.db2.gz APGIERYMGGJEJP-CHWSQXEVSA-N 1 1 341.820 0.963 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC000353497170 438507475 /nfs/dbraw/zinc/50/74/75/438507475.db2.gz DFDCJGYPGBIUMW-CABCVRRESA-N 1 1 338.452 0.612 20 30 ECEDMO CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)NCCCCC#N)CC2)C1 ZINC000369859991 438523188 /nfs/dbraw/zinc/52/31/88/438523188.db2.gz DRTOXGYGIXZOSU-INIZCTEOSA-N 1 1 337.468 0.728 20 30 ECEDMO CC[N@H+]1CCO[C@H](CN2CCN(C(=O)NCCCCC#N)CC2)C1 ZINC000369859991 438523192 /nfs/dbraw/zinc/52/31/92/438523192.db2.gz DRTOXGYGIXZOSU-INIZCTEOSA-N 1 1 337.468 0.728 20 30 ECEDMO COCCC[N@H+]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 ZINC000370291174 438567982 /nfs/dbraw/zinc/56/79/82/438567982.db2.gz YLBBIHKJEMNBJX-CQSZACIVSA-N 1 1 332.470 0.509 20 30 ECEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C[C@H]1C ZINC000441116954 438577617 /nfs/dbraw/zinc/57/76/17/438577617.db2.gz LIOPSMFSQHSBQJ-CHWSQXEVSA-N 1 1 346.435 1.215 20 30 ECEDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C[C@H]1C ZINC000441116954 438577619 /nfs/dbraw/zinc/57/76/19/438577619.db2.gz LIOPSMFSQHSBQJ-CHWSQXEVSA-N 1 1 346.435 1.215 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000441221488 438579841 /nfs/dbraw/zinc/57/98/41/438579841.db2.gz AFBHYBHMEUHHHS-DXCKQFNASA-N 1 1 339.436 0.675 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000370236815 438563976 /nfs/dbraw/zinc/56/39/76/438563976.db2.gz URQZXYUCZYSRHB-CQSZACIVSA-N 1 1 325.409 0.658 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000410807237 438660526 /nfs/dbraw/zinc/66/05/26/438660526.db2.gz HVKMIZYQJZJVGI-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000410807237 438660530 /nfs/dbraw/zinc/66/05/30/438660530.db2.gz HVKMIZYQJZJVGI-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO Cc1ncc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1C#N ZINC000451666200 438706682 /nfs/dbraw/zinc/70/66/82/438706682.db2.gz GGZDTYWZNGUCLA-AWEZNQCLSA-N 1 1 338.433 0.387 20 30 ECEDMO Cc1ncc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1C#N ZINC000451666200 438706684 /nfs/dbraw/zinc/70/66/84/438706684.db2.gz GGZDTYWZNGUCLA-AWEZNQCLSA-N 1 1 338.433 0.387 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413513879 438694526 /nfs/dbraw/zinc/69/45/26/438694526.db2.gz JBFGVRPSKPFNJZ-ILXRZTDVSA-N 1 1 339.436 0.714 20 30 ECEDMO CC(C)(CC#N)CS(=O)(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000451156433 438696257 /nfs/dbraw/zinc/69/62/57/438696257.db2.gz DTKGMTWRMWNCES-CYBMUJFWSA-N 1 1 344.481 0.433 20 30 ECEDMO C=CCNC(=O)CN1CC2(CCCC2)[N@@H+](CC(=O)NCC=C)C[C@@H]1C ZINC000451345833 438697935 /nfs/dbraw/zinc/69/79/35/438697935.db2.gz SNJQMSBOZOTBSV-INIZCTEOSA-N 1 1 348.491 0.910 20 30 ECEDMO C=CCNC(=O)CN1CC2(CCCC2)[N@H+](CC(=O)NCC=C)C[C@@H]1C ZINC000451345833 438697938 /nfs/dbraw/zinc/69/79/38/438697938.db2.gz SNJQMSBOZOTBSV-INIZCTEOSA-N 1 1 348.491 0.910 20 30 ECEDMO C=CCNC(=O)CN1C[C@H](C)[N@@H+](CC(=O)NCC=C)CC12CCCC2 ZINC000451345833 438697939 /nfs/dbraw/zinc/69/79/39/438697939.db2.gz SNJQMSBOZOTBSV-INIZCTEOSA-N 1 1 348.491 0.910 20 30 ECEDMO C=CCNC(=O)CN1C[C@H](C)[N@H+](CC(=O)NCC=C)CC12CCCC2 ZINC000451345833 438697942 /nfs/dbraw/zinc/69/79/42/438697942.db2.gz SNJQMSBOZOTBSV-INIZCTEOSA-N 1 1 348.491 0.910 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H](C)[N@H+]1CCO ZINC000453941315 438702169 /nfs/dbraw/zinc/70/21/69/438702169.db2.gz SBJRIKGCFHLUGK-BETUJISGSA-N 1 1 330.388 0.410 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H](C)[N@@H+]1CCO ZINC000453941315 438702173 /nfs/dbraw/zinc/70/21/73/438702173.db2.gz SBJRIKGCFHLUGK-BETUJISGSA-N 1 1 330.388 0.410 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494710342 438704507 /nfs/dbraw/zinc/70/45/07/438704507.db2.gz PRAFXSZIJHGEKF-ZIAGYGMSSA-N 1 1 331.482 0.813 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494710342 438704509 /nfs/dbraw/zinc/70/45/09/438704509.db2.gz PRAFXSZIJHGEKF-ZIAGYGMSSA-N 1 1 331.482 0.813 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494703148 438704549 /nfs/dbraw/zinc/70/45/49/438704549.db2.gz LYWXJBXRVOKYHN-UONOGXRCSA-N 1 1 329.466 0.589 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494703148 438704551 /nfs/dbraw/zinc/70/45/51/438704551.db2.gz LYWXJBXRVOKYHN-UONOGXRCSA-N 1 1 329.466 0.589 20 30 ECEDMO CNC(=O)CCOC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000494978169 438715080 /nfs/dbraw/zinc/71/50/80/438715080.db2.gz UGRBXLLDCUXDOC-QGZVFWFLSA-N 1 1 338.452 0.658 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000454640521 438722175 /nfs/dbraw/zinc/72/21/75/438722175.db2.gz DHOHBKZEPMLPHG-KFWWJZLASA-N 1 1 338.452 0.572 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CC#N)CCOC)CC1=O ZINC000457180124 438797467 /nfs/dbraw/zinc/79/74/67/438797467.db2.gz GUOVLPXCKDCGEE-GJZGRUSLSA-N 1 1 336.436 0.318 20 30 ECEDMO N#Cc1cc(=O)n(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000577061433 438810497 /nfs/dbraw/zinc/81/04/97/438810497.db2.gz ONRSSHFTEZGZMJ-UHFFFAOYSA-N 1 1 337.383 0.459 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2CC(N)=O)cc1 ZINC000595523514 438814806 /nfs/dbraw/zinc/81/48/06/438814806.db2.gz RPZBSADZLDGFGR-LSDHHAIUSA-N 1 1 333.388 0.069 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2CC(N)=O)cc1 ZINC000595523514 438814811 /nfs/dbraw/zinc/81/48/11/438814811.db2.gz RPZBSADZLDGFGR-LSDHHAIUSA-N 1 1 333.388 0.069 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595551619 438823909 /nfs/dbraw/zinc/82/39/09/438823909.db2.gz JGLOFWXQOQRQQG-PBHICJAKSA-N 1 1 335.452 0.874 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000558730437 438824885 /nfs/dbraw/zinc/82/48/85/438824885.db2.gz PTUBHYQSVOTDOZ-JKSUJKDBSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000558730437 438824890 /nfs/dbraw/zinc/82/48/90/438824890.db2.gz PTUBHYQSVOTDOZ-JKSUJKDBSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000514798303 438832172 /nfs/dbraw/zinc/83/21/72/438832172.db2.gz HZSYSJAQHHQVQA-CYBMUJFWSA-N 1 1 330.454 0.262 20 30 ECEDMO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000514798303 438832176 /nfs/dbraw/zinc/83/21/76/438832176.db2.gz HZSYSJAQHHQVQA-CYBMUJFWSA-N 1 1 330.454 0.262 20 30 ECEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000577315374 438832779 /nfs/dbraw/zinc/83/27/79/438832779.db2.gz JPTYGALMUPLRHH-LBPRGKRZSA-N 1 1 335.456 1.166 20 30 ECEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000577350549 438835363 /nfs/dbraw/zinc/83/53/63/438835363.db2.gz KAWLOPWPVYJZEJ-KPXOXKRLSA-N 1 1 346.774 0.743 20 30 ECEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000577350549 438835369 /nfs/dbraw/zinc/83/53/69/438835369.db2.gz KAWLOPWPVYJZEJ-KPXOXKRLSA-N 1 1 346.774 0.743 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000588966105 438850213 /nfs/dbraw/zinc/85/02/13/438850213.db2.gz FHUOJDQARUPMIX-XJADACSNSA-N 1 1 337.464 0.981 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000588966105 438850218 /nfs/dbraw/zinc/85/02/18/438850218.db2.gz FHUOJDQARUPMIX-XJADACSNSA-N 1 1 337.464 0.981 20 30 ECEDMO N#Cc1cscc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000590255501 438903581 /nfs/dbraw/zinc/90/35/81/438903581.db2.gz RXUPISRPNIVYJU-AWEZNQCLSA-N 1 1 334.445 0.756 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)nn1 ZINC000562982050 438856267 /nfs/dbraw/zinc/85/62/67/438856267.db2.gz NOEMZWXIWNYUHS-HNNXBMFYSA-N 1 1 327.392 0.715 20 30 ECEDMO N#Cc1cc(O)cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000589174216 438859585 /nfs/dbraw/zinc/85/95/85/438859585.db2.gz NANLZWAKHMJSAQ-INIZCTEOSA-N 1 1 342.399 0.818 20 30 ECEDMO N#CCCN(CCC#N)C(=O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595865105 438872616 /nfs/dbraw/zinc/87/26/16/438872616.db2.gz FOXNXKINOLXDHW-MRXNPFEDSA-N 1 1 333.436 0.173 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC4CC3(C)C4)CC2)o1 ZINC000595914601 438885625 /nfs/dbraw/zinc/88/56/25/438885625.db2.gz DSYHHJYEXNSLAI-UHFFFAOYSA-N 1 1 329.404 0.988 20 30 ECEDMO N#CCC1(CS(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000590754911 438956030 /nfs/dbraw/zinc/95/60/30/438956030.db2.gz ZAAYDQYRCBZOKL-ZIAGYGMSSA-N 1 1 327.450 0.541 20 30 ECEDMO COCC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccc(C#N)cc1 ZINC000459322896 438957538 /nfs/dbraw/zinc/95/75/38/438957538.db2.gz IRAIBRBTRVKHMZ-ZDUSSCGKSA-N 1 1 330.388 0.947 20 30 ECEDMO Cn1c(NC[C@@H]2CC[N@H+]2Cc2ccccc2)c(C#N)c(=O)n(C)c1=O ZINC000596552545 438976061 /nfs/dbraw/zinc/97/60/61/438976061.db2.gz NMTZNBQASJJZOQ-AWEZNQCLSA-N 1 1 339.399 0.642 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(OC)c1 ZINC000459719837 438993797 /nfs/dbraw/zinc/99/37/97/438993797.db2.gz YEAAJKZNLMFFMX-BZUAXINKSA-N 1 1 337.416 0.448 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602029487 439000340 /nfs/dbraw/zinc/00/03/40/439000340.db2.gz GJPVJHHSIMOIGB-OAHLLOKOSA-N 1 1 348.378 0.863 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)C1 ZINC000602238170 439044111 /nfs/dbraw/zinc/04/41/11/439044111.db2.gz NWNNBCZLGKKNDI-MRXNPFEDSA-N 1 1 349.479 0.281 20 30 ECEDMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000519620564 439048934 /nfs/dbraw/zinc/04/89/34/439048934.db2.gz CDUHIGPLBGZLAJ-DLBZAZTESA-N 1 1 335.496 0.705 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)CC2 ZINC000519760175 439059739 /nfs/dbraw/zinc/05/97/39/439059739.db2.gz SFFUNPZVHWSFDQ-MRXNPFEDSA-N 1 1 345.447 0.828 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000602195398 439037758 /nfs/dbraw/zinc/03/77/58/439037758.db2.gz RTPXKUORTVLLKJ-UHFFFAOYSA-N 1 1 336.342 0.682 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(C#N)n2)CCCO1 ZINC000580443907 439090884 /nfs/dbraw/zinc/09/08/84/439090884.db2.gz ASOBAWTVTLDSDA-CYBMUJFWSA-N 1 1 345.403 0.509 20 30 ECEDMO N#CCC[C@@H](C#N)C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000591737521 439078542 /nfs/dbraw/zinc/07/85/42/439078542.db2.gz LANABJFOTYWJPP-KBPBESRZSA-N 1 1 328.438 0.508 20 30 ECEDMO COCCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592155128 439169086 /nfs/dbraw/zinc/16/90/86/439169086.db2.gz YGEBXPRLOWTZRW-FUHWJXTLSA-N 1 1 334.416 0.966 20 30 ECEDMO COC(=O)CNC(=O)CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000602750278 439128234 /nfs/dbraw/zinc/12/82/34/439128234.db2.gz PASNTUAXGQFRDD-UHFFFAOYSA-N 1 1 344.415 0.401 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](C(=O)NC)(C(F)(F)F)C1 ZINC000592184890 439173292 /nfs/dbraw/zinc/17/32/92/439173292.db2.gz MHAQUYBEVQODGD-BXUZGUMPSA-N 1 1 348.369 0.995 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@](C(=O)NC)(C(F)(F)F)C1 ZINC000592184890 439173299 /nfs/dbraw/zinc/17/32/99/439173299.db2.gz MHAQUYBEVQODGD-BXUZGUMPSA-N 1 1 348.369 0.995 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H](C)N1CC#N ZINC000602860524 439147228 /nfs/dbraw/zinc/14/72/28/439147228.db2.gz JKFNHPQGWFFMSQ-QLFBSQMISA-N 1 1 328.482 0.576 20 30 ECEDMO N#Cc1ccccc1NC1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000602896925 439154062 /nfs/dbraw/zinc/15/40/62/439154062.db2.gz LGGMDYQGRNCEKA-UHFFFAOYSA-N 1 1 327.388 0.986 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000592197930 439177477 /nfs/dbraw/zinc/17/74/77/439177477.db2.gz QAPXLFATLASJDG-HIFRSBDPSA-N 1 1 331.372 0.743 20 30 ECEDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000592200587 439181728 /nfs/dbraw/zinc/18/17/28/439181728.db2.gz UIDGNEKRKNJOAL-RYUDHWBXSA-N 1 1 337.401 0.804 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1CC(=O)N(CCC#N)CCC#N ZINC000488704041 439197734 /nfs/dbraw/zinc/19/77/34/439197734.db2.gz QNYGGIINZGEUDW-INIZCTEOSA-N 1 1 347.463 0.827 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 ZINC000597936172 439200293 /nfs/dbraw/zinc/20/02/93/439200293.db2.gz AYDRSASDKHBLOM-UHFFFAOYSA-N 1 1 333.461 0.516 20 30 ECEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Cn2cnc(C#N)n2)C1 ZINC000598193539 439237796 /nfs/dbraw/zinc/23/77/96/439237796.db2.gz BQVXTBPQHPUIJI-INIZCTEOSA-N 1 1 338.415 0.925 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000598601113 439284529 /nfs/dbraw/zinc/28/45/29/439284529.db2.gz ZIZNHCVGDFKGIU-SOUVJXGZSA-N 1 1 344.477 0.955 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000598601113 439284533 /nfs/dbraw/zinc/28/45/33/439284533.db2.gz ZIZNHCVGDFKGIU-SOUVJXGZSA-N 1 1 344.477 0.955 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000527299659 439263730 /nfs/dbraw/zinc/26/37/30/439263730.db2.gz UYUQHEHANXWNRK-AWEZNQCLSA-N 1 1 348.447 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000490972396 439320549 /nfs/dbraw/zinc/32/05/49/439320549.db2.gz FTUSPBKDKCBISJ-HNNXBMFYSA-N 1 1 340.383 0.825 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000491067947 439327430 /nfs/dbraw/zinc/32/74/30/439327430.db2.gz LTTITGMKBHOZSG-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000491067947 439327435 /nfs/dbraw/zinc/32/74/35/439327435.db2.gz LTTITGMKBHOZSG-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000491072394 439327846 /nfs/dbraw/zinc/32/78/46/439327846.db2.gz RWQJIIRBICCKEC-UHFFFAOYSA-N 1 1 333.407 0.962 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H](OCCO)C1 ZINC000528384970 439331370 /nfs/dbraw/zinc/33/13/70/439331370.db2.gz ULUQEVGNKLXKQT-HNNXBMFYSA-N 1 1 342.395 0.759 20 30 ECEDMO COC(=O)c1ccc(NC[C@@](C)(O)C[NH+]2CCOCC2)c(C#N)n1 ZINC000568901283 439289570 /nfs/dbraw/zinc/28/95/70/439289570.db2.gz RZYNIHQDZPTDFU-MRXNPFEDSA-N 1 1 334.376 0.235 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000490854150 439304773 /nfs/dbraw/zinc/30/47/73/439304773.db2.gz XUVSVLYYPFJQAK-PKOBYXMFSA-N 1 1 344.503 0.713 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000491180286 439344404 /nfs/dbraw/zinc/34/44/04/439344404.db2.gz KNODBMSZSUPUGL-QGZVFWFLSA-N 1 1 349.862 0.610 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000491209171 439347666 /nfs/dbraw/zinc/34/76/66/439347666.db2.gz CMMRJEYTGGFIJW-UHFFFAOYSA-N 1 1 333.388 0.714 20 30 ECEDMO C[C@]1(CO)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]1(C)CO ZINC000528752342 439369408 /nfs/dbraw/zinc/36/94/08/439369408.db2.gz OZVQHRQLBDOPAC-YTQUADARSA-N 1 1 343.427 0.976 20 30 ECEDMO C[C@]1(CO)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]1(C)CO ZINC000528752342 439369415 /nfs/dbraw/zinc/36/94/15/439369415.db2.gz OZVQHRQLBDOPAC-YTQUADARSA-N 1 1 343.427 0.976 20 30 ECEDMO C#CCNC(=O)CC[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000491484153 439392526 /nfs/dbraw/zinc/39/25/26/439392526.db2.gz HTHCHUOGUFJBOM-UHFFFAOYSA-N 1 1 344.463 0.108 20 30 ECEDMO Cc1cc(NC(=O)C[N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)no1 ZINC000599261146 439404444 /nfs/dbraw/zinc/40/44/44/439404444.db2.gz OCCSIINACGQXGQ-ZDUSSCGKSA-N 1 1 336.392 0.925 20 30 ECEDMO Cc1cc(NC(=O)C[N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)no1 ZINC000599261146 439404451 /nfs/dbraw/zinc/40/44/51/439404451.db2.gz OCCSIINACGQXGQ-ZDUSSCGKSA-N 1 1 336.392 0.925 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN1S(=O)(=O)CCCC ZINC000491554325 439405516 /nfs/dbraw/zinc/40/55/16/439405516.db2.gz IEUPSZHYMOYPIV-OAHLLOKOSA-N 1 1 343.493 0.652 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000491655199 439418670 /nfs/dbraw/zinc/41/86/70/439418670.db2.gz GXWPIWPPMMRVIP-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000593605812 439422136 /nfs/dbraw/zinc/42/21/36/439422136.db2.gz KIILTUSKDZTDMY-LBPRGKRZSA-N 1 1 337.401 0.575 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC000491682294 439426874 /nfs/dbraw/zinc/42/68/74/439426874.db2.gz RGGWDJSYFODMDF-UONOGXRCSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC000491682294 439426880 /nfs/dbraw/zinc/42/68/80/439426880.db2.gz RGGWDJSYFODMDF-UONOGXRCSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000491691282 439427820 /nfs/dbraw/zinc/42/78/20/439427820.db2.gz DOGNZAMSGSVYOB-CQSZACIVSA-N 1 1 329.466 0.408 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)nn1 ZINC000583200865 439431667 /nfs/dbraw/zinc/43/16/67/439431667.db2.gz ZRMKMJAUIPHXSR-CYBMUJFWSA-N 1 1 336.440 0.451 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000570580471 439432514 /nfs/dbraw/zinc/43/25/14/439432514.db2.gz XGPOGLJZGSGUHQ-ZIAGYGMSSA-N 1 1 338.452 0.572 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000491735749 439437253 /nfs/dbraw/zinc/43/72/53/439437253.db2.gz UNERBXXUCYXFTC-IYBDPMFKSA-N 1 1 334.464 0.095 20 30 ECEDMO N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)C3COC3)CC2)c1 ZINC000593668127 439443083 /nfs/dbraw/zinc/44/30/83/439443083.db2.gz GIDTYAMFDAZTDC-UHFFFAOYSA-N 1 1 335.429 0.841 20 30 ECEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1)C1CC1 ZINC000530756947 439502871 /nfs/dbraw/zinc/50/28/71/439502871.db2.gz WRBANXYYASHHCC-IAGOWNOFSA-N 1 1 347.419 0.105 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccc(C#N)c2)CC1 ZINC000531151179 439508289 /nfs/dbraw/zinc/50/82/89/439508289.db2.gz NGRPMAMFLQPYPR-KRWDZBQOSA-N 1 1 340.427 0.866 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000491821469 439458606 /nfs/dbraw/zinc/45/86/06/439458606.db2.gz VTWDCDOSQVENAV-UHFFFAOYSA-N 1 1 345.447 0.290 20 30 ECEDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000599619442 439519684 /nfs/dbraw/zinc/51/96/84/439519684.db2.gz SCWYNSGSWDXUEL-ZDUSSCGKSA-N 1 1 330.388 0.592 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)n(CCC#N)n1 ZINC000532995791 439523450 /nfs/dbraw/zinc/52/34/50/439523450.db2.gz PPHKAZAZAKLJHI-UONOGXRCSA-N 1 1 344.419 0.787 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000543758303 439564653 /nfs/dbraw/zinc/56/46/53/439564653.db2.gz MFCYNVHGTJXBOK-XHDPSFHLSA-N 1 1 345.451 0.920 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000599689101 439535180 /nfs/dbraw/zinc/53/51/80/439535180.db2.gz DFQPGZFGUFWSIO-OLZOCXBDSA-N 1 1 342.465 0.199 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000599689101 439535183 /nfs/dbraw/zinc/53/51/83/439535183.db2.gz DFQPGZFGUFWSIO-OLZOCXBDSA-N 1 1 342.465 0.199 20 30 ECEDMO CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000543757950 439564926 /nfs/dbraw/zinc/56/49/26/439564926.db2.gz XTDZLFMOEBKHDK-NSHDSACASA-N 1 1 331.424 0.674 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000540349655 439548441 /nfs/dbraw/zinc/54/84/41/439548441.db2.gz FGYTZOBNBHNIEJ-ROUUACIJSA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594391741 439554193 /nfs/dbraw/zinc/55/41/93/439554193.db2.gz CWKOSTAJIPLSJZ-LSDHHAIUSA-N 1 1 329.400 0.993 20 30 ECEDMO COc1ccccc1[C@H](CO)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000541984004 439556058 /nfs/dbraw/zinc/55/60/58/439556058.db2.gz LWYPLHZJAAFOBK-HNNXBMFYSA-N 1 1 330.388 0.974 20 30 ECEDMO COc1cc(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(F)cc1C#N ZINC000599807956 439563593 /nfs/dbraw/zinc/56/35/93/439563593.db2.gz HLMDLGAXEBBABP-NWDGAFQWSA-N 1 1 334.351 0.989 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000531812187 439513152 /nfs/dbraw/zinc/51/31/52/439513152.db2.gz KWAILLIBTLJEPI-ZBFHGGJFSA-N 1 1 349.479 0.099 20 30 ECEDMO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594478301 439567586 /nfs/dbraw/zinc/56/75/86/439567586.db2.gz OGCVVBYRFVCZEF-LSDHHAIUSA-N 1 1 339.392 0.278 20 30 ECEDMO C=CCn1cc(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nn1 ZINC000584466157 439591601 /nfs/dbraw/zinc/59/16/01/439591601.db2.gz XAQWHFRJKWUPKA-CVEARBPZSA-N 1 1 348.451 0.907 20 30 ECEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000585777626 439650316 /nfs/dbraw/zinc/65/03/16/439650316.db2.gz FJTPHEVTJWQIML-CABCVRRESA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000610916733 439657472 /nfs/dbraw/zinc/65/74/72/439657472.db2.gz AOAVNQPHBCGTQC-HZMBPMFUSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000610916733 439657476 /nfs/dbraw/zinc/65/74/76/439657476.db2.gz AOAVNQPHBCGTQC-HZMBPMFUSA-N 1 1 334.351 0.471 20 30 ECEDMO N#Cc1ccc(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000586862183 439664231 /nfs/dbraw/zinc/66/42/31/439664231.db2.gz MQKYSKPNPAKGPS-UHFFFAOYSA-N 1 1 344.390 0.868 20 30 ECEDMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC1 ZINC000595185368 439671293 /nfs/dbraw/zinc/67/12/93/439671293.db2.gz HYMQLQPIOMGGFZ-KRWDZBQOSA-N 1 1 336.436 0.318 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000595449846 439727795 /nfs/dbraw/zinc/72/77/95/439727795.db2.gz QZXUSINYCPKCTB-UHFFFAOYSA-N 1 1 343.431 0.610 20 30 ECEDMO C=C[C@H](O)C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000614861979 439789297 /nfs/dbraw/zinc/78/92/97/439789297.db2.gz YEORYZLMGUYOSX-HNNXBMFYSA-N 1 1 345.399 0.220 20 30 ECEDMO N#CC1(NC(=O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)CCC1 ZINC000615224075 439796375 /nfs/dbraw/zinc/79/63/75/439796375.db2.gz DUEIIXAZHDTWJU-UHFFFAOYSA-N 1 1 328.420 0.966 20 30 ECEDMO C=CCCS(=O)(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641695749 439901076 /nfs/dbraw/zinc/90/10/76/439901076.db2.gz HBFCXSMEUCJYHN-HNNXBMFYSA-N 1 1 331.482 0.279 20 30 ECEDMO C=CCCS(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641695749 439901084 /nfs/dbraw/zinc/90/10/84/439901084.db2.gz HBFCXSMEUCJYHN-HNNXBMFYSA-N 1 1 331.482 0.279 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000658614207 440034229 /nfs/dbraw/zinc/03/42/29/440034229.db2.gz DYEZJAUPQXSVMS-UHFFFAOYSA-N 1 1 329.360 0.915 20 30 ECEDMO C=CCN(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H](C)COC ZINC000637374867 440248978 /nfs/dbraw/zinc/24/89/78/440248978.db2.gz KTQJNGLTZROFEQ-KBPBESRZSA-N 1 1 326.441 0.559 20 30 ECEDMO C=CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000628103898 440413607 /nfs/dbraw/zinc/41/36/07/440413607.db2.gz YMZROOWSSLTNDP-AWEZNQCLSA-N 1 1 333.388 0.373 20 30 ECEDMO C=CCc1ccc(OCC(=O)NCC[N@H+]2CC[C@H](O)C2)c(OC)c1 ZINC000629910168 440796915 /nfs/dbraw/zinc/79/69/15/440796915.db2.gz AGLQFTPROXMKDO-HNNXBMFYSA-N 1 1 334.416 0.985 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC000639973789 440845525 /nfs/dbraw/zinc/84/55/25/440845525.db2.gz OOHWEJMCVJXAEM-LSDHHAIUSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC000639973789 440845530 /nfs/dbraw/zinc/84/55/30/440845530.db2.gz OOHWEJMCVJXAEM-LSDHHAIUSA-N 1 1 331.420 0.401 20 30 ECEDMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000646029797 440975776 /nfs/dbraw/zinc/97/57/76/440975776.db2.gz LTCYMGNFQDTNAL-CRAIPNDOSA-N 1 1 348.399 0.988 20 30 ECEDMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000646029797 440975779 /nfs/dbraw/zinc/97/57/79/440975779.db2.gz LTCYMGNFQDTNAL-CRAIPNDOSA-N 1 1 348.399 0.988 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@]3(C)CCCS3(=O)=O)C2)C1 ZINC001041736831 782085657 /nfs/dbraw/zinc/08/56/57/782085657.db2.gz ZENHEEQYCBHKET-IAGOWNOFSA-N 1 1 338.473 0.901 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000316804573 320708205 /nfs/dbraw/zinc/70/82/05/320708205.db2.gz DEQGKFIOISZVPL-ZDUSSCGKSA-N 1 1 342.442 0.499 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C2)C1 ZINC001041736540 782086432 /nfs/dbraw/zinc/08/64/32/782086432.db2.gz TUNIGOZEIJFJST-ZFWWWQNUSA-N 1 1 327.450 0.131 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001077992255 782092742 /nfs/dbraw/zinc/09/27/42/782092742.db2.gz RCWUSDFAWDYKQH-HUUCEWRRSA-N 1 1 332.404 0.616 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1OC ZINC000546711441 322120548 /nfs/dbraw/zinc/12/05/48/322120548.db2.gz KUCKKTYJSUHENY-UHFFFAOYSA-N 1 1 334.376 0.200 20 30 ECEDMO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1=O ZINC000562990100 322291217 /nfs/dbraw/zinc/29/12/17/322291217.db2.gz DQRJHICWZQJQAD-IVMMDQJWSA-N 1 1 347.440 0.931 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000567121749 322571131 /nfs/dbraw/zinc/57/11/31/322571131.db2.gz OHIAFBVPVBQLNX-ZDUSSCGKSA-N 1 1 328.420 0.727 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(C)=O)c2C)C1 ZINC001078004303 782116245 /nfs/dbraw/zinc/11/62/45/782116245.db2.gz RSJXBCJANIARGM-IAGOWNOFSA-N 1 1 329.400 0.752 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(C)=O)c2C)C1 ZINC001078004303 782116250 /nfs/dbraw/zinc/11/62/50/782116250.db2.gz RSJXBCJANIARGM-IAGOWNOFSA-N 1 1 329.400 0.752 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ncccn1 ZINC001078003967 782116286 /nfs/dbraw/zinc/11/62/86/782116286.db2.gz YOFHANYJEFNPIJ-KBPBESRZSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ncccn1 ZINC001078003967 782116293 /nfs/dbraw/zinc/11/62/93/782116293.db2.gz YOFHANYJEFNPIJ-KBPBESRZSA-N 1 1 329.404 0.199 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001041754826 782133174 /nfs/dbraw/zinc/13/31/74/782133174.db2.gz FDAZGQHZDJHCTD-QGZVFWFLSA-N 1 1 332.404 0.849 20 30 ECEDMO C#CCSCCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000154405594 527142927 /nfs/dbraw/zinc/14/29/27/527142927.db2.gz GPLRSXLNLNZFTE-UHFFFAOYSA-N 1 1 326.466 0.205 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H](CO)C2)CC1 ZINC000420938424 546214905 /nfs/dbraw/zinc/21/49/05/546214905.db2.gz KTWQCQTVPUVIKP-IKGGRYGDSA-N 1 1 336.480 0.629 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cc1 ZINC000619574296 546342781 /nfs/dbraw/zinc/34/27/81/546342781.db2.gz OMFLDICXHQIYBG-HOTGVXAUSA-N 1 1 344.390 0.933 20 30 ECEDMO C=CCCn1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)nn1 ZINC000623671381 546821913 /nfs/dbraw/zinc/82/19/13/546821913.db2.gz AQIJFXYFAGURAZ-ZIAGYGMSSA-N 1 1 327.454 0.804 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000667939803 547573531 /nfs/dbraw/zinc/57/35/31/547573531.db2.gz QUDZIZIYEGGBTH-HUUCEWRRSA-N 1 1 338.452 0.161 20 30 ECEDMO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668966949 547800993 /nfs/dbraw/zinc/80/09/93/547800993.db2.gz NQGZCYBDFBCIML-GDBMZVCRSA-N 1 1 337.464 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)nc1 ZINC001078030354 782174911 /nfs/dbraw/zinc/17/49/11/782174911.db2.gz VLKUHMXKGLJVMH-CGTJXYLNSA-N 1 1 343.427 0.797 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn(C4CCOCC4)nn3)C2)C1 ZINC001041777849 782183113 /nfs/dbraw/zinc/18/31/13/782183113.db2.gz QTRIXEZDZVUASB-SFHVURJKSA-N 1 1 343.431 0.801 20 30 ECEDMO C[NH+]1CCN(c2ncc(CN=Nc3ncccc3[N+](=O)[O-])cn2)CC1 ZINC000755769177 579438798 /nfs/dbraw/zinc/43/87/98/579438798.db2.gz LXMARRUTHAAUME-UHFFFAOYSA-N 1 1 342.363 0.978 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)CC1=NNC(=S)NCCN1CCOCC1 ZINC000755879540 579440410 /nfs/dbraw/zinc/44/04/10/579440410.db2.gz LTIVESSKBMWVNX-GFCCVEGCSA-N 1 1 325.482 0.253 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)CC1=NNC(=S)NCCN1CCOCC1 ZINC000755879540 579440411 /nfs/dbraw/zinc/44/04/11/579440411.db2.gz LTIVESSKBMWVNX-GFCCVEGCSA-N 1 1 325.482 0.253 20 30 ECEDMO C#Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)nc1 ZINC000728967055 578292003 /nfs/dbraw/zinc/29/20/03/578292003.db2.gz HGTASGLEYJUVQV-INIZCTEOSA-N 1 1 328.416 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000730276037 578304338 /nfs/dbraw/zinc/30/43/38/578304338.db2.gz FKMUUFGYMRBTHM-HNNXBMFYSA-N 1 1 343.387 0.736 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000730276037 578304339 /nfs/dbraw/zinc/30/43/39/578304339.db2.gz FKMUUFGYMRBTHM-HNNXBMFYSA-N 1 1 343.387 0.736 20 30 ECEDMO C[C@H](CNC(=O)NCCNC(=O)C1N=CC=CC1=O)[N@@H+](C)C1CC1 ZINC000732465353 578325950 /nfs/dbraw/zinc/32/59/50/578325950.db2.gz MLBIWHONHTUMJG-BFWGRDPESA-N 1 1 335.408 0.295 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000795335428 578608324 /nfs/dbraw/zinc/60/83/24/578608324.db2.gz FSLOTPKYGTXNCT-LBPRGKRZSA-N 1 1 329.169 0.961 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000799070259 578656928 /nfs/dbraw/zinc/65/69/28/578656928.db2.gz KTBQPUDRULJDLY-OAGGEKHMSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000799083949 578657671 /nfs/dbraw/zinc/65/76/71/578657671.db2.gz QHDUJYUXSSTLNA-SFHVURJKSA-N 1 1 329.444 0.938 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000799285200 578662124 /nfs/dbraw/zinc/66/21/24/578662124.db2.gz ZCWVRNKNXSYQRE-CYBMUJFWSA-N 1 1 327.344 0.096 20 30 ECEDMO C[C@H](CNC(=O)NCc1ccc(C#N)cn1)CN1CC[NH+](C)CC1 ZINC000780497989 578695059 /nfs/dbraw/zinc/69/50/59/578695059.db2.gz NCWCXWVNYNVQFB-CQSZACIVSA-N 1 1 330.436 0.636 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780970446 578703998 /nfs/dbraw/zinc/70/39/98/578703998.db2.gz YAOMTUJMYOYANA-QGZVFWFLSA-N 1 1 344.415 0.214 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000781014039 578704535 /nfs/dbraw/zinc/70/45/35/578704535.db2.gz OVDRRPFMJWYEBJ-CXAGYDPISA-N 1 1 345.399 0.687 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000781014039 578704537 /nfs/dbraw/zinc/70/45/37/578704537.db2.gz OVDRRPFMJWYEBJ-CXAGYDPISA-N 1 1 345.399 0.687 20 30 ECEDMO C#CCOCCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000784321773 578750666 /nfs/dbraw/zinc/75/06/66/578750666.db2.gz JEICPFNLHHGEAB-MRXNPFEDSA-N 1 1 345.447 0.541 20 30 ECEDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCC2)cn1 ZINC000784347148 578750825 /nfs/dbraw/zinc/75/08/25/578750825.db2.gz QFAWZEBTGPMQTP-CABCVRRESA-N 1 1 331.420 0.870 20 30 ECEDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)cn1 ZINC000784347148 578750826 /nfs/dbraw/zinc/75/08/26/578750826.db2.gz QFAWZEBTGPMQTP-CABCVRRESA-N 1 1 331.420 0.870 20 30 ECEDMO C#CCOCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000784422198 578751755 /nfs/dbraw/zinc/75/17/55/578751755.db2.gz HSKHMKNYBGLQAI-QGZVFWFLSA-N 1 1 331.416 0.702 20 30 ECEDMO C[C@H](CO)[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@H](C)O ZINC000785533375 578770720 /nfs/dbraw/zinc/77/07/20/578770720.db2.gz DNBPULXNGCCKGW-OLZOCXBDSA-N 1 1 330.388 0.484 20 30 ECEDMO C[C@H](CO)[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@H](C)O ZINC000785533375 578770721 /nfs/dbraw/zinc/77/07/21/578770721.db2.gz DNBPULXNGCCKGW-OLZOCXBDSA-N 1 1 330.388 0.484 20 30 ECEDMO C#CCCCNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000787291365 578803751 /nfs/dbraw/zinc/80/37/51/578803751.db2.gz OJKPGCDOEJDRPK-UHFFFAOYSA-N 1 1 343.427 0.665 20 30 ECEDMO C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)[C@H]1CCCO1 ZINC000772878838 579216164 /nfs/dbraw/zinc/21/61/64/579216164.db2.gz JSANCXAWHCQEEJ-LTIDMASMSA-N 1 1 347.459 0.616 20 30 ECEDMO C#C[C@H](NC(=O)NCCCCN1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000773219779 579222876 /nfs/dbraw/zinc/22/28/76/579222876.db2.gz MNUYRNDWDIEHAH-DLBZAZTESA-N 1 1 336.480 0.884 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1nc(CC(=O)OC)cs1)[C@@H]1CCCO1 ZINC000775792193 579271344 /nfs/dbraw/zinc/27/13/44/579271344.db2.gz YKDPDJQUIGWPQB-RYUDHWBXSA-N 1 1 337.401 0.568 20 30 ECEDMO CC(=NNC(=S)NCC(N)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779776568 579320557 /nfs/dbraw/zinc/32/05/57/579320557.db2.gz PBAPFIONQYNDGZ-CQSZACIVSA-N 1 1 333.461 0.834 20 30 ECEDMO C[C@H]1C[NH+]=C(NN=Cc2c(N3CCOCC3)nc3ccccn32)N1 ZINC000779795463 579320843 /nfs/dbraw/zinc/32/08/43/579320843.db2.gz UCSQUBBFZKMGNO-LBPRGKRZSA-N 1 1 327.392 0.442 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(C(C)C)CC2)c1=O ZINC000742171112 579780777 /nfs/dbraw/zinc/78/07/77/579780777.db2.gz DNVJJZWSDOWZHF-UHFFFAOYSA-N 1 1 348.447 0.869 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000744366584 579808881 /nfs/dbraw/zinc/80/88/81/579808881.db2.gz UZQVFNCMGPFDMC-UHFFFAOYSA-N 1 1 326.400 0.997 20 30 ECEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746274551 579834988 /nfs/dbraw/zinc/83/49/88/579834988.db2.gz YABCNOZIVGOONU-VLUKHXRESA-N 1 1 334.420 0.703 20 30 ECEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746378179 579837413 /nfs/dbraw/zinc/83/74/13/579837413.db2.gz PRGMQTJAIKHECG-CHWSQXEVSA-N 1 1 332.408 0.582 20 30 ECEDMO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 ZINC000746379919 579837649 /nfs/dbraw/zinc/83/76/49/579837649.db2.gz SSIJKXKYVCTMTA-UHFFFAOYSA-N 1 1 332.408 0.678 20 30 ECEDMO CNC(=O)[C@H](C)C[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000747966567 579855738 /nfs/dbraw/zinc/85/57/38/579855738.db2.gz JWOFRFSWWYXGIF-GFCCVEGCSA-N 1 1 327.388 0.734 20 30 ECEDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000747966567 579855739 /nfs/dbraw/zinc/85/57/39/579855739.db2.gz JWOFRFSWWYXGIF-GFCCVEGCSA-N 1 1 327.388 0.734 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000836489977 588931433 /nfs/dbraw/zinc/93/14/33/588931433.db2.gz AFCRVHFMSQWPRJ-UHFFFAOYSA-N 1 1 337.468 0.777 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000836489455 588931728 /nfs/dbraw/zinc/93/17/28/588931728.db2.gz ZYRJZNFCMGACMB-ZFWWWQNUSA-N 1 1 346.435 0.168 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)nc1 ZINC000837567276 588955516 /nfs/dbraw/zinc/95/55/16/588955516.db2.gz MCLWKWOWYOBCPG-HNNXBMFYSA-N 1 1 346.435 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 ZINC000837998532 588968583 /nfs/dbraw/zinc/96/85/83/588968583.db2.gz ZHEYLVITAFAAQN-GJZGRUSLSA-N 1 1 336.432 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 ZINC000837998532 588968584 /nfs/dbraw/zinc/96/85/84/588968584.db2.gz ZHEYLVITAFAAQN-GJZGRUSLSA-N 1 1 336.432 0.616 20 30 ECEDMO C[C@@]1(F)C[NH2+]CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000841253222 588984725 /nfs/dbraw/zinc/98/47/25/588984725.db2.gz NPNMADAHFRUCRM-MRXNPFEDSA-N 1 1 334.351 0.687 20 30 ECEDMO C#CC[C@H]1NC(=O)N(CC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000842234781 589023693 /nfs/dbraw/zinc/02/36/93/589023693.db2.gz CEYLRUJTBSXGCR-MRXNPFEDSA-N 1 1 326.400 0.752 20 30 ECEDMO C=CCCn1cc(C[NH2+]CC2(O)CN(C(=O)OC(C)(C)C)C2)nn1 ZINC000895205412 586169139 /nfs/dbraw/zinc/16/91/39/586169139.db2.gz BHDKSYMCPBXTAA-UHFFFAOYSA-N 1 1 337.424 0.926 20 30 ECEDMO C#CC1(O)CN(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000891541008 586175528 /nfs/dbraw/zinc/17/55/28/586175528.db2.gz ZQHNVWMOMNUJBX-CQSZACIVSA-N 1 1 348.472 0.426 20 30 ECEDMO N#Cc1cnn2cc(C[N@@H+]3C[C@H](O)CC4(CCOCC4)C3)cnc12 ZINC000895721627 586200652 /nfs/dbraw/zinc/20/06/52/586200652.db2.gz DOMIACYFPKBGOP-OAHLLOKOSA-N 1 1 327.388 0.964 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCC#C[C@@H]2CCCCO2)CC1 ZINC000891926300 586205895 /nfs/dbraw/zinc/20/58/95/586205895.db2.gz LKJUBLZVLDPVPS-HNNXBMFYSA-N 1 1 336.436 0.069 20 30 ECEDMO C=CCN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000897223250 586289482 /nfs/dbraw/zinc/28/94/82/586289482.db2.gz FTOQIUXKGFXJRK-OAHLLOKOSA-N 1 1 342.461 0.299 20 30 ECEDMO C[C@H]1CCC[N@@H+]1CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000897519687 586337814 /nfs/dbraw/zinc/33/78/14/586337814.db2.gz UIXSLCHMVWKETJ-GUTXKFCHSA-N 1 1 340.449 0.050 20 30 ECEDMO C[C@H]1CCC[N@H+]1CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000897519687 586337816 /nfs/dbraw/zinc/33/78/16/586337816.db2.gz UIXSLCHMVWKETJ-GUTXKFCHSA-N 1 1 340.449 0.050 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000900045159 586520874 /nfs/dbraw/zinc/52/08/74/586520874.db2.gz MKRWDAJFMXSLOH-PBHICJAKSA-N 1 1 329.404 0.057 20 30 ECEDMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000900080139 586521828 /nfs/dbraw/zinc/52/18/28/586521828.db2.gz DCMOEZIKBPURKR-SFHVURJKSA-N 1 1 343.431 0.449 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000843250779 589056431 /nfs/dbraw/zinc/05/64/31/589056431.db2.gz RCRNTKAZJNXWOW-HOTGVXAUSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000843250779 589056433 /nfs/dbraw/zinc/05/64/33/589056433.db2.gz RCRNTKAZJNXWOW-HOTGVXAUSA-N 1 1 349.475 0.552 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000866993059 586821518 /nfs/dbraw/zinc/82/15/18/586821518.db2.gz ZTTVOEDQKJBTLA-UHFFFAOYSA-N 1 1 349.391 0.942 20 30 ECEDMO C=CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1)c1ccncc1 ZINC000804901646 586862531 /nfs/dbraw/zinc/86/25/31/586862531.db2.gz XTTCODMGTZRFNE-JKSUJKDBSA-N 1 1 346.431 0.652 20 30 ECEDMO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC[NH2+]CCC#N)C1 ZINC000905509370 586897372 /nfs/dbraw/zinc/89/73/72/586897372.db2.gz QESUPMBUZDVDNP-GFCCVEGCSA-N 1 1 331.438 0.914 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000867328466 589074198 /nfs/dbraw/zinc/07/41/98/589074198.db2.gz XXVVXIGPRNETMD-CQSZACIVSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000867328466 589074199 /nfs/dbraw/zinc/07/41/99/589074199.db2.gz XXVVXIGPRNETMD-CQSZACIVSA-N 1 1 341.408 0.822 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC[N@H+]1C ZINC000806041661 586954151 /nfs/dbraw/zinc/95/41/51/586954151.db2.gz JGFWLHIPSIAHTR-RISCZKNCSA-N 1 1 332.379 0.912 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000906902034 586991533 /nfs/dbraw/zinc/99/15/33/586991533.db2.gz AKHSDMLEZXPUMP-OAHLLOKOSA-N 1 1 349.456 0.534 20 30 ECEDMO CC[C@](C)(C#N)C(=O)OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000803782430 587069011 /nfs/dbraw/zinc/06/90/11/587069011.db2.gz LZEXJUGGTJORCN-RHSMWYFYSA-N 1 1 339.436 0.942 20 30 ECEDMO COc1ccc(CN2C(=O)N[C@@H](Cc3cnc[nH]3)C2=O)cc1C#N ZINC000804181945 587081018 /nfs/dbraw/zinc/08/10/18/587081018.db2.gz VINVPHXMFWWVQM-ZDUSSCGKSA-N 1 1 325.328 0.953 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)[N@@H+](C)C1CC1 ZINC000804430882 587085027 /nfs/dbraw/zinc/08/50/27/587085027.db2.gz HAZCHOYSBNHHEH-NSHDSACASA-N 1 1 332.379 0.912 20 30 ECEDMO C#CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000806910397 587110923 /nfs/dbraw/zinc/11/09/23/587110923.db2.gz VOBTZHMNSZSAJT-INIZCTEOSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000806910397 587110924 /nfs/dbraw/zinc/11/09/24/587110924.db2.gz VOBTZHMNSZSAJT-INIZCTEOSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000806910398 587110933 /nfs/dbraw/zinc/11/09/33/587110933.db2.gz VOBTZHMNSZSAJT-MRXNPFEDSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000806910398 587110934 /nfs/dbraw/zinc/11/09/34/587110934.db2.gz VOBTZHMNSZSAJT-MRXNPFEDSA-N 1 1 334.464 0.143 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000807384689 587126217 /nfs/dbraw/zinc/12/62/17/587126217.db2.gz QKVWWBKPILVFJB-CABCVRRESA-N 1 1 332.404 0.385 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H]1CCCO1 ZINC000809311586 587174960 /nfs/dbraw/zinc/17/49/60/587174960.db2.gz XZYZPPZKAFBIFM-IRXDYDNUSA-N 1 1 347.459 0.760 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000809405050 587177301 /nfs/dbraw/zinc/17/73/01/587177301.db2.gz NGMYZSOPGXFEOA-BDJLRTHQSA-N 1 1 344.390 0.912 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000817812906 587386468 /nfs/dbraw/zinc/38/64/68/587386468.db2.gz ACQSNIVVQYTPJX-DLBZAZTESA-N 1 1 341.411 0.264 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)c1 ZINC000817817092 587387037 /nfs/dbraw/zinc/38/70/37/587387037.db2.gz LXROZYCSEVFDLC-QGZVFWFLSA-N 1 1 343.427 0.511 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CN1c2ccccc2OCCC1=O ZINC000818584598 587439238 /nfs/dbraw/zinc/43/92/38/587439238.db2.gz QJERSHDYFYJMQF-UHFFFAOYSA-N 1 1 329.400 0.873 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC000820688408 587549987 /nfs/dbraw/zinc/54/99/87/587549987.db2.gz QSFGWQOGMKYCJB-CQSZACIVSA-N 1 1 331.420 0.234 20 30 ECEDMO C#C[C@@H](NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CCOCC1 ZINC000823158161 587706563 /nfs/dbraw/zinc/70/65/63/587706563.db2.gz COUQTRKBZIUFHQ-DLBZAZTESA-N 1 1 335.448 0.655 20 30 ECEDMO CC(C)[C@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1C ZINC000827499962 588124279 /nfs/dbraw/zinc/12/42/79/588124279.db2.gz RXGCBCIPSTUCEN-VLUKHXRESA-N 1 1 334.420 0.702 20 30 ECEDMO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000846727185 589220975 /nfs/dbraw/zinc/22/09/75/589220975.db2.gz PWTXTJRYSNVXET-INIZCTEOSA-N 1 1 344.415 0.260 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000846841969 589226365 /nfs/dbraw/zinc/22/63/65/589226365.db2.gz QRQMXTBNDPTEKE-ROUUACIJSA-N 1 1 333.432 0.871 20 30 ECEDMO C#CCOc1ccc(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000847381803 589245134 /nfs/dbraw/zinc/24/51/34/589245134.db2.gz RYDQAJQMCPHZJF-JKSUJKDBSA-N 1 1 329.400 0.659 20 30 ECEDMO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(CCC(=O)OCC)C2=O)C1 ZINC000848494236 589298363 /nfs/dbraw/zinc/29/83/63/589298363.db2.gz PGSZTHXLOWIEPR-DYVFJYSZSA-N 1 1 335.404 0.943 20 30 ECEDMO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(CCC(=O)OCC)C2=O)C1 ZINC000848494236 589298364 /nfs/dbraw/zinc/29/83/64/589298364.db2.gz PGSZTHXLOWIEPR-DYVFJYSZSA-N 1 1 335.404 0.943 20 30 ECEDMO C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)N1CCC(C)CC1 ZINC000849067595 589319301 /nfs/dbraw/zinc/31/93/01/589319301.db2.gz OMDDFSXHBLCZLT-MRXNPFEDSA-N 1 1 325.501 0.604 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000850683012 589379001 /nfs/dbraw/zinc/37/90/01/589379001.db2.gz PQTBQLQIGAPDPT-DOTOQJQBSA-N 1 1 347.459 0.306 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331913 589491474 /nfs/dbraw/zinc/49/14/74/589491474.db2.gz DRTWDCFODMWPPS-WMZOPIPTSA-N 1 1 332.448 0.878 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000852651874 589504608 /nfs/dbraw/zinc/50/46/08/589504608.db2.gz UBXNHPHIEXASTB-UHFFFAOYSA-N 1 1 331.460 0.655 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000852651874 589504609 /nfs/dbraw/zinc/50/46/09/589504609.db2.gz UBXNHPHIEXASTB-UHFFFAOYSA-N 1 1 331.460 0.655 20 30 ECEDMO CCC[N@H+]1CC[C@H](NC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000853713802 589556263 /nfs/dbraw/zinc/55/62/63/589556263.db2.gz WLEUJHIWOQMURK-TZFAWSOVSA-N 1 1 335.408 0.296 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)CC1 ZINC000854058065 589570122 /nfs/dbraw/zinc/57/01/22/589570122.db2.gz GYQDHEUQNXTCFP-UHFFFAOYSA-N 1 1 343.475 0.582 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)CC1 ZINC000854058065 589570124 /nfs/dbraw/zinc/57/01/24/589570124.db2.gz GYQDHEUQNXTCFP-UHFFFAOYSA-N 1 1 343.475 0.582 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000854663881 589598682 /nfs/dbraw/zinc/59/86/82/589598682.db2.gz GUOMXXBCVDZJLL-DLBZAZTESA-N 1 1 344.415 0.051 20 30 ECEDMO C#C[C@@](C)(CC)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000854697890 589600366 /nfs/dbraw/zinc/60/03/66/589600366.db2.gz NCGHWSAZVDABNF-QAPCUYQASA-N 1 1 335.448 0.618 20 30 ECEDMO CN1CC[NH+](CCCS(=O)(=O)OCC(F)(F)C(F)F)CC1 ZINC000866385439 589738294 /nfs/dbraw/zinc/73/82/94/589738294.db2.gz WWKBNOMSCCAEQU-UHFFFAOYSA-N 1 1 336.351 0.871 20 30 ECEDMO C#CCOc1ccc([C@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1 ZINC000858569362 589757877 /nfs/dbraw/zinc/75/78/77/589757877.db2.gz FNBRGUXDLHYTPI-ZDUSSCGKSA-N 1 1 337.445 0.840 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1nnnn1C1CC1 ZINC000859276587 589815184 /nfs/dbraw/zinc/81/51/84/589815184.db2.gz ITWUDMFWRBJAQE-BXUZGUMPSA-N 1 1 328.376 0.970 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C(=O)N1CCCC1 ZINC000867975414 589866114 /nfs/dbraw/zinc/86/61/14/589866114.db2.gz MDJYEGGIYIOJTB-BLLLJJGKSA-N 1 1 326.400 0.872 20 30 ECEDMO C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868371364 589897716 /nfs/dbraw/zinc/89/77/16/589897716.db2.gz CFXANRYZPCORPJ-KSSFIOAISA-N 1 1 341.459 0.961 20 30 ECEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868371364 589897717 /nfs/dbraw/zinc/89/77/17/589897717.db2.gz CFXANRYZPCORPJ-KSSFIOAISA-N 1 1 341.459 0.961 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000863786963 590038009 /nfs/dbraw/zinc/03/80/09/590038009.db2.gz LDSDHDQZLMHORZ-BRWVUGGUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1 ZINC000888559163 590053618 /nfs/dbraw/zinc/05/36/18/590053618.db2.gz KSQJPGMSDULCTJ-ZIAGYGMSSA-N 1 1 346.435 0.136 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1 ZINC000888559163 590053620 /nfs/dbraw/zinc/05/36/20/590053620.db2.gz KSQJPGMSDULCTJ-ZIAGYGMSSA-N 1 1 346.435 0.136 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1 ZINC000872616086 590133412 /nfs/dbraw/zinc/13/34/12/590133412.db2.gz YOTJFKXPPWHSAW-JKSUJKDBSA-N 1 1 335.429 0.529 20 30 ECEDMO COc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1C#N ZINC000873717542 590197830 /nfs/dbraw/zinc/19/78/30/590197830.db2.gz BAGGRQCISCHJGJ-LBPRGKRZSA-N 1 1 330.388 0.963 20 30 ECEDMO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1C#N ZINC000873891626 590209156 /nfs/dbraw/zinc/20/91/56/590209156.db2.gz PNALLWXSDATVGF-RISCZKNCSA-N 1 1 328.372 0.668 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000875065472 590267251 /nfs/dbraw/zinc/26/72/51/590267251.db2.gz DWMSQJMKYCAPDQ-CVEARBPZSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000875595876 590311967 /nfs/dbraw/zinc/31/19/67/590311967.db2.gz FXIBNPGTMFVMMM-HNNXBMFYSA-N 1 1 334.420 0.585 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000875604070 590314244 /nfs/dbraw/zinc/31/42/44/590314244.db2.gz INESSAVPOIREMQ-UXLLHSPISA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C(C)(C)O)C2)CC1 ZINC000880148581 590372196 /nfs/dbraw/zinc/37/21/96/590372196.db2.gz YNCKANIHFNOKQV-HZPDHXFCSA-N 1 1 336.480 0.772 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C(C)(C)O)C2)CC1 ZINC000880148579 590372488 /nfs/dbraw/zinc/37/24/88/590372488.db2.gz YNCKANIHFNOKQV-CVEARBPZSA-N 1 1 336.480 0.772 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000880479073 590395176 /nfs/dbraw/zinc/39/51/76/590395176.db2.gz PDDDVFAYZRGBGZ-UHFFFAOYSA-N 1 1 335.429 0.924 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876751216 590409098 /nfs/dbraw/zinc/40/90/98/590409098.db2.gz MPAOQWIZLPJWCZ-SJLPKXTDSA-N 1 1 342.443 0.972 20 30 ECEDMO CCN(CCC#N)C(=O)Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881242224 590442270 /nfs/dbraw/zinc/44/22/70/590442270.db2.gz UTXNRCZNTMDCIK-UHFFFAOYSA-N 1 1 334.424 0.305 20 30 ECEDMO C=CCCn1cc(Cn2cc(CCC[NH+]3CCOCC3)nn2)nn1 ZINC000881385665 590450534 /nfs/dbraw/zinc/45/05/34/590450534.db2.gz SZVXMKFPVNOWHV-UHFFFAOYSA-N 1 1 331.424 0.759 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCCn2ccc(C(=O)OC)n2)CC1 ZINC000878422823 590520267 /nfs/dbraw/zinc/52/02/67/590520267.db2.gz BHSCMKNACQYTDI-UHFFFAOYSA-N 1 1 332.404 0.617 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC=C(c3cnn(C)c3)C2)CC1 ZINC000878905796 590550903 /nfs/dbraw/zinc/55/09/03/590550903.db2.gz NIIXQTZWYURUPV-UHFFFAOYSA-N 1 1 327.432 0.287 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC=C(c3cnn(C)c3)C2)CC1 ZINC000878905796 590550905 /nfs/dbraw/zinc/55/09/05/590550905.db2.gz NIIXQTZWYURUPV-UHFFFAOYSA-N 1 1 327.432 0.287 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[N@H+]1C ZINC000885311514 590713560 /nfs/dbraw/zinc/71/35/60/590713560.db2.gz UMAGMNCKEIKJMX-COMQUAJESA-N 1 1 325.434 0.113 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCn2c(=O)oc3ccccc32)C1 ZINC000884132110 590751016 /nfs/dbraw/zinc/75/10/16/590751016.db2.gz GVBLSIQKRXPRCC-AWEZNQCLSA-N 1 1 342.399 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCn2c(=O)oc3ccccc32)C1 ZINC000884132110 590751020 /nfs/dbraw/zinc/75/10/20/590751020.db2.gz GVBLSIQKRXPRCC-AWEZNQCLSA-N 1 1 342.399 0.991 20 30 ECEDMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886201529 590811028 /nfs/dbraw/zinc/81/10/28/590811028.db2.gz IAMKQWYKJIZUNA-KBPBESRZSA-N 1 1 329.466 0.787 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)C2(O)CCOCC2)C1 ZINC000884420936 590825018 /nfs/dbraw/zinc/82/50/18/590825018.db2.gz IHEVQCHAZSMAKM-OAHLLOKOSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)C2(O)CCOCC2)C1 ZINC000884420936 590825021 /nfs/dbraw/zinc/82/50/21/590825021.db2.gz IHEVQCHAZSMAKM-OAHLLOKOSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ncc3c(n2)CCOC3)C1 ZINC000884444779 590830405 /nfs/dbraw/zinc/83/04/05/590830405.db2.gz VQAWECVGSKZFPK-CQSZACIVSA-N 1 1 329.404 0.446 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ncc3c(n2)CCOC3)C1 ZINC000884444779 590830408 /nfs/dbraw/zinc/83/04/08/590830408.db2.gz VQAWECVGSKZFPK-CQSZACIVSA-N 1 1 329.404 0.446 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCC2(CS(C)(=O)=O)CC2)C1 ZINC000884460222 590833219 /nfs/dbraw/zinc/83/32/19/590833219.db2.gz UBXRDMWKPLRESX-AWEZNQCLSA-N 1 1 341.477 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC2(CS(C)(=O)=O)CC2)C1 ZINC000884460222 590833223 /nfs/dbraw/zinc/83/32/23/590833223.db2.gz UBXRDMWKPLRESX-AWEZNQCLSA-N 1 1 341.477 0.598 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CC1 ZINC000886568903 590859703 /nfs/dbraw/zinc/85/97/03/590859703.db2.gz ZSRVDBVMCICTAC-XHSDSOJGSA-N 1 1 336.505 0.974 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cc2CS(N)(=O)=O)C1 ZINC000884610165 590870996 /nfs/dbraw/zinc/87/09/96/590870996.db2.gz FUUSANNTYGBUKB-OAHLLOKOSA-N 1 1 332.429 0.856 20 30 ECEDMO C=CCC1(O)CC[NH+](CC(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000886755463 590879987 /nfs/dbraw/zinc/87/99/87/590879987.db2.gz JGAVTSAFTMIZSQ-UHFFFAOYSA-N 1 1 339.480 0.616 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000889761788 591086313 /nfs/dbraw/zinc/08/63/13/591086313.db2.gz MGDQOHJJVQMFHL-ULQDDVLXSA-N 1 1 329.400 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)C1 ZINC000890368171 591152784 /nfs/dbraw/zinc/15/27/84/591152784.db2.gz DOEPPCLRWGRUBL-JYJNAYRXSA-N 1 1 332.448 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)C1 ZINC000890368171 591152787 /nfs/dbraw/zinc/15/27/87/591152787.db2.gz DOEPPCLRWGRUBL-JYJNAYRXSA-N 1 1 332.448 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000890369335 591153787 /nfs/dbraw/zinc/15/37/87/591153787.db2.gz SWLKFUWZULOEHQ-HOTGVXAUSA-N 1 1 330.436 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000890369335 591153791 /nfs/dbraw/zinc/15/37/91/591153791.db2.gz SWLKFUWZULOEHQ-HOTGVXAUSA-N 1 1 330.436 0.797 20 30 ECEDMO C[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)CC1CCC(C#N)CC1 ZINC000929881301 611363921 /nfs/dbraw/zinc/36/39/21/611363921.db2.gz QARCUPIFVLKKQG-RUXDESIVSA-N 1 1 327.450 0.551 20 30 ECEDMO C[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)CC1CCC(C#N)CC1 ZINC000929881301 611363923 /nfs/dbraw/zinc/36/39/23/611363923.db2.gz QARCUPIFVLKKQG-RUXDESIVSA-N 1 1 327.450 0.551 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C[C@@H]1C ZINC000948069233 611407422 /nfs/dbraw/zinc/40/74/22/611407422.db2.gz DQFKLDOOUHNZFH-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946747112 611448999 /nfs/dbraw/zinc/44/89/99/611448999.db2.gz MIWBIVFXPRQHHA-PHIMTYICSA-N 1 1 330.226 0.551 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000930768554 611462883 /nfs/dbraw/zinc/46/28/83/611462883.db2.gz IHUFZVKVMUHKST-BSXFFOKHSA-N 1 1 335.448 0.494 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000946786737 611478387 /nfs/dbraw/zinc/47/83/87/611478387.db2.gz SZXRLZAAKGDCTE-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO C[C@H]1[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC[N@H+]1C ZINC000925333336 611470602 /nfs/dbraw/zinc/47/06/02/611470602.db2.gz VMZCYIAPRCXIEL-DZGCQCFKSA-N 1 1 328.420 0.877 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC[N@H+]1C ZINC000925332739 611471019 /nfs/dbraw/zinc/47/10/19/611471019.db2.gz WXBFAMFDDBNSQP-BFHYXJOUSA-N 1 1 343.435 0.661 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000946796534 611485445 /nfs/dbraw/zinc/48/54/45/611485445.db2.gz LDLGHMQOIFGHPI-WBVHZDCISA-N 1 1 346.475 0.143 20 30 ECEDMO C=CCCCCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000930948647 611486526 /nfs/dbraw/zinc/48/65/26/611486526.db2.gz JHGBZRFVMNIIDP-JKSUJKDBSA-N 1 1 337.464 0.907 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](N(C)C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000948306459 611512523 /nfs/dbraw/zinc/51/25/23/611512523.db2.gz HYQPASWMHSJMLD-JSGCOSHPSA-N 1 1 331.420 0.947 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C[C@@H]1C ZINC000947547894 611590898 /nfs/dbraw/zinc/59/08/98/611590898.db2.gz VFXLIEDIWHKXKQ-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C[C@@H]1C ZINC000947548391 611591664 /nfs/dbraw/zinc/59/16/64/611591664.db2.gz ZCMKNEDDTHNOLC-GJZGRUSLSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000948435605 611594051 /nfs/dbraw/zinc/59/40/51/611594051.db2.gz NDVDJYBUJQDAPY-GJZGRUSLSA-N 1 1 326.462 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000948435605 611594053 /nfs/dbraw/zinc/59/40/53/611594053.db2.gz NDVDJYBUJQDAPY-GJZGRUSLSA-N 1 1 326.462 0.900 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C[C@@H]1C ZINC000947558592 611594521 /nfs/dbraw/zinc/59/45/21/611594521.db2.gz CMIPWRPKZMSITI-UONOGXRCSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C ZINC000947567097 611599592 /nfs/dbraw/zinc/59/95/92/611599592.db2.gz BGHLBRNWMMKZIT-KGLIPLIRSA-N 1 1 339.403 0.663 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(CN2CCOCC2)n1 ZINC000932165625 611605812 /nfs/dbraw/zinc/60/58/12/611605812.db2.gz CSUVIEQOTNWHBH-UHFFFAOYSA-N 1 1 345.447 0.990 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C ZINC000947599792 611614269 /nfs/dbraw/zinc/61/42/69/611614269.db2.gz ZKKJGHWVVFHONH-PWSUYJOCSA-N 1 1 330.396 0.463 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C ZINC000947369016 608598976 /nfs/dbraw/zinc/59/89/76/608598976.db2.gz FFWYKSBAWZZVJG-KGLIPLIRSA-N 1 1 334.420 0.092 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947369207 608599718 /nfs/dbraw/zinc/59/97/18/608599718.db2.gz HXDDSBQQWBRRMB-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO CN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937352097 608613673 /nfs/dbraw/zinc/61/36/73/608613673.db2.gz IWAQUILYAYOVMO-AWEZNQCLSA-N 1 1 344.415 0.823 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC000949388948 608664914 /nfs/dbraw/zinc/66/49/14/608664914.db2.gz PMLIVGWUHXCWDX-IBGZPJMESA-N 1 1 347.459 0.619 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937411704 608736279 /nfs/dbraw/zinc/73/62/79/608736279.db2.gz QEYSFICFYVQVHX-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc3ccc(OC)nn32)C[C@H]1C ZINC000947457593 608748731 /nfs/dbraw/zinc/74/87/31/608748731.db2.gz BKPQFJHPIVHEFF-CHWSQXEVSA-N 1 1 327.388 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC(F)(F)F ZINC000936558205 608785007 /nfs/dbraw/zinc/78/50/07/608785007.db2.gz AAOMTIOLFADRCM-AVGNSLFASA-N 1 1 343.349 0.848 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC(F)(F)F ZINC000936558205 608785010 /nfs/dbraw/zinc/78/50/10/608785010.db2.gz AAOMTIOLFADRCM-AVGNSLFASA-N 1 1 343.349 0.848 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1[nH]ccc1C ZINC000949674131 608845563 /nfs/dbraw/zinc/84/55/63/608845563.db2.gz YMMVYPBKHXKKMV-GJZGRUSLSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1[nH]ccc1C ZINC000949674131 608845566 /nfs/dbraw/zinc/84/55/66/608845566.db2.gz YMMVYPBKHXKKMV-GJZGRUSLSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc3sccn3c2=O)C[C@@H]1C ZINC000947514763 608849770 /nfs/dbraw/zinc/84/97/70/608849770.db2.gz AMNUYSLTFGVQEA-NWDGAFQWSA-N 1 1 330.413 0.972 20 30 ECEDMO COC1(OC)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1O ZINC000931645384 608882949 /nfs/dbraw/zinc/88/29/49/608882949.db2.gz KSBNFEDWJJXTGL-GDBMZVCRSA-N 1 1 336.388 0.354 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000936911788 608885795 /nfs/dbraw/zinc/88/57/95/608885795.db2.gz MWZASQVCVSCIEN-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000937036458 608919084 /nfs/dbraw/zinc/91/90/84/608919084.db2.gz AAJODEFNSIEZSI-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000937036458 608919086 /nfs/dbraw/zinc/91/90/86/608919086.db2.gz AAJODEFNSIEZSI-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO O=C(NCC#CCO)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000923777636 608928339 /nfs/dbraw/zinc/92/83/39/608928339.db2.gz LJYUCPCLLXDIHN-SJORKVTESA-N 1 1 331.416 0.164 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000937053250 608935726 /nfs/dbraw/zinc/93/57/26/608935726.db2.gz ATXZLYRMSMCXED-VHDGCEQUSA-N 1 1 343.431 0.899 20 30 ECEDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC#CCO ZINC000923765619 608940823 /nfs/dbraw/zinc/94/08/23/608940823.db2.gz VIWPCGURGGTRNH-GOSISDBHSA-N 1 1 331.416 0.261 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000947309115 608944993 /nfs/dbraw/zinc/94/49/93/608944993.db2.gz CGPSIYWWHRAARK-RYUDHWBXSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@H](CNC(=O)NCC#CCO)[NH+]1CCN(c2ccccc2)CC1 ZINC000923786506 608948415 /nfs/dbraw/zinc/94/84/15/608948415.db2.gz USSUEFJMHHWPOZ-MRXNPFEDSA-N 1 1 330.432 0.492 20 30 ECEDMO O=C(NCC#CCO)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000923786600 608948688 /nfs/dbraw/zinc/94/86/88/608948688.db2.gz WJGFFTQTNBCQHR-UHFFFAOYSA-N 1 1 344.459 0.489 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937178057 609023472 /nfs/dbraw/zinc/02/34/72/609023472.db2.gz ZQBQFPYZMWDECX-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937197133 609033816 /nfs/dbraw/zinc/03/38/16/609033816.db2.gz ARMUAHBKMSVRIU-WFASDCNBSA-N 1 1 329.404 0.511 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000937197462 609034331 /nfs/dbraw/zinc/03/43/31/609034331.db2.gz HKJNQLACNWDBGE-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC000937755413 609059532 /nfs/dbraw/zinc/05/95/32/609059532.db2.gz ZXELEQRMNWVXJB-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC000937755413 609059534 /nfs/dbraw/zinc/05/95/34/609059534.db2.gz ZXELEQRMNWVXJB-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccon2)C1 ZINC000936792385 609090698 /nfs/dbraw/zinc/09/06/98/609090698.db2.gz IDXSQKNXZFTLAK-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccon2)C1 ZINC000936792385 609090703 /nfs/dbraw/zinc/09/07/03/609090703.db2.gz IDXSQKNXZFTLAK-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000937842463 609116413 /nfs/dbraw/zinc/11/64/13/609116413.db2.gz WTBZDDGQPBWBEJ-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@H](C)C2)nn1 ZINC000947792558 611692530 /nfs/dbraw/zinc/69/25/30/611692530.db2.gz OLRHEZHRDSAYCQ-OLZOCXBDSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@H](C)C2)nn1 ZINC000947792558 611692532 /nfs/dbraw/zinc/69/25/32/611692532.db2.gz OLRHEZHRDSAYCQ-OLZOCXBDSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)[C@H](C)C2)nn1 ZINC000947792590 611692635 /nfs/dbraw/zinc/69/26/35/611692635.db2.gz OVAKAMZWEZHURG-KGLIPLIRSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)[C@H](C)C2)nn1 ZINC000947792590 611692638 /nfs/dbraw/zinc/69/26/38/611692638.db2.gz OVAKAMZWEZHURG-KGLIPLIRSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccn(CC)n2)C1 ZINC000937940636 609410512 /nfs/dbraw/zinc/41/05/12/609410512.db2.gz HUQHPPLAOSXDCC-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccn(CC)n2)C1 ZINC000937940636 609410514 /nfs/dbraw/zinc/41/05/14/609410514.db2.gz HUQHPPLAOSXDCC-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000937979094 609432786 /nfs/dbraw/zinc/43/27/86/609432786.db2.gz QSOGIGURZFGQPQ-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC000937983545 609437787 /nfs/dbraw/zinc/43/77/87/609437787.db2.gz FXLMCWYWJRYVMQ-INIZCTEOSA-N 1 1 337.383 0.599 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC000938170038 609481465 /nfs/dbraw/zinc/48/14/65/609481465.db2.gz BRNHOTCUCMXOOP-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC000938170038 609481467 /nfs/dbraw/zinc/48/14/67/609481467.db2.gz BRNHOTCUCMXOOP-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000938170360 609482098 /nfs/dbraw/zinc/48/20/98/609482098.db2.gz GTLKRAAOXXONHZ-ZFWWWQNUSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000938170360 609482101 /nfs/dbraw/zinc/48/21/01/609482101.db2.gz GTLKRAAOXXONHZ-ZFWWWQNUSA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000938170856 609482887 /nfs/dbraw/zinc/48/28/87/609482887.db2.gz QGRHZUODXNYMOC-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000938170856 609482891 /nfs/dbraw/zinc/48/28/91/609482891.db2.gz QGRHZUODXNYMOC-ULQDDVLXSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C ZINC000947811230 611701192 /nfs/dbraw/zinc/70/11/92/611701192.db2.gz XUIZGOMCPIFHMR-OLZOCXBDSA-N 1 1 327.388 0.547 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000938224571 609552468 /nfs/dbraw/zinc/55/24/68/609552468.db2.gz VLUVAXSHIHVZSW-BBWFWOEESA-N 1 1 346.475 0.285 20 30 ECEDMO C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+]2C)ccc1F ZINC000928568815 611703019 /nfs/dbraw/zinc/70/30/19/611703019.db2.gz IZSXKPMVBURGIJ-LBPRGKRZSA-N 1 1 341.408 0.724 20 30 ECEDMO C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+]2C)ccc1F ZINC000928568815 611703021 /nfs/dbraw/zinc/70/30/21/611703021.db2.gz IZSXKPMVBURGIJ-LBPRGKRZSA-N 1 1 341.408 0.724 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908016554 609637711 /nfs/dbraw/zinc/63/77/11/609637711.db2.gz WYIPHSCVTZMTBL-KBPBESRZSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000908016554 609637712 /nfs/dbraw/zinc/63/77/12/609637712.db2.gz WYIPHSCVTZMTBL-KBPBESRZSA-N 1 1 336.417 0.173 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000908352121 609651621 /nfs/dbraw/zinc/65/16/21/609651621.db2.gz USUHQGFFRQNBFG-WMLDXEAASA-N 1 1 329.404 0.057 20 30 ECEDMO Cc1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1C#N ZINC000919999588 609669558 /nfs/dbraw/zinc/66/95/58/609669558.db2.gz KLMKOIMWLNJNNP-ZFWWWQNUSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1C#N ZINC000919999588 609669559 /nfs/dbraw/zinc/66/95/59/609669559.db2.gz KLMKOIMWLNJNNP-ZFWWWQNUSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000920012007 609669892 /nfs/dbraw/zinc/66/98/92/609669892.db2.gz ZFAJBCHINFTJNE-DZGCQCFKSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000920012007 609669895 /nfs/dbraw/zinc/66/98/95/609669895.db2.gz ZFAJBCHINFTJNE-DZGCQCFKSA-N 1 1 336.461 0.779 20 30 ECEDMO C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@@H]1C[N@H+](C)CCN1C ZINC000920001962 609670200 /nfs/dbraw/zinc/67/02/00/609670200.db2.gz YYFYXMGMANMOIX-FZMZJTMJSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@@H]1C[N@@H+](C)CCN1C ZINC000920001962 609670201 /nfs/dbraw/zinc/67/02/01/609670201.db2.gz YYFYXMGMANMOIX-FZMZJTMJSA-N 1 1 340.424 0.610 20 30 ECEDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)N(C)CCC#N)C2 ZINC000920282506 609678072 /nfs/dbraw/zinc/67/80/72/609678072.db2.gz RBXMXBTXZONUIU-APIJFGDWSA-N 1 1 344.481 0.146 20 30 ECEDMO Cc1cc(=O)c(C(=O)NCC#CC[NH+](C)C)nn1-c1ccccc1F ZINC000913515669 609684547 /nfs/dbraw/zinc/68/45/47/609684547.db2.gz HODVGGDUMASJSS-UHFFFAOYSA-N 1 1 342.374 0.975 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)CC1 ZINC000921440299 609717002 /nfs/dbraw/zinc/71/70/02/609717002.db2.gz XJWUJCALXVEVNT-UHFFFAOYSA-N 1 1 334.397 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000947761688 609733643 /nfs/dbraw/zinc/73/36/43/609733643.db2.gz ONXHICZDYAPRDB-OLZOCXBDSA-N 1 1 334.420 0.243 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000923594795 609754116 /nfs/dbraw/zinc/75/41/16/609754116.db2.gz MVAUFOLECSGHOQ-HRCADAONSA-N 1 1 345.443 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000923594795 609754117 /nfs/dbraw/zinc/75/41/17/609754117.db2.gz MVAUFOLECSGHOQ-HRCADAONSA-N 1 1 345.443 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 ZINC000923594797 609754161 /nfs/dbraw/zinc/75/41/61/609754161.db2.gz MVAUFOLECSGHOQ-JYJNAYRXSA-N 1 1 345.443 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 ZINC000923594797 609754163 /nfs/dbraw/zinc/75/41/63/609754163.db2.gz MVAUFOLECSGHOQ-JYJNAYRXSA-N 1 1 345.443 0.766 20 30 ECEDMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000910870089 609770898 /nfs/dbraw/zinc/77/08/98/609770898.db2.gz MRXXUIQKZAVROE-AWEZNQCLSA-N 1 1 348.451 0.652 20 30 ECEDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000910885237 609773177 /nfs/dbraw/zinc/77/31/77/609773177.db2.gz JBIFXUKCDMFWBZ-MRXNPFEDSA-N 1 1 349.479 0.233 20 30 ECEDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000910885237 609773178 /nfs/dbraw/zinc/77/31/78/609773178.db2.gz JBIFXUKCDMFWBZ-MRXNPFEDSA-N 1 1 349.479 0.233 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C[C@H]1C ZINC000948030608 609774747 /nfs/dbraw/zinc/77/47/47/609774747.db2.gz HGBWOIXNQOKRKS-CABCVRRESA-N 1 1 343.493 0.262 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC000947343998 609783994 /nfs/dbraw/zinc/78/39/94/609783994.db2.gz RYHCKUGNDOUSEK-KGLIPLIRSA-N 1 1 332.452 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000923595529 609801097 /nfs/dbraw/zinc/80/10/97/609801097.db2.gz UQZZMFCVVHSUST-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000923595529 609801098 /nfs/dbraw/zinc/80/10/98/609801098.db2.gz UQZZMFCVVHSUST-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC000938543290 609851049 /nfs/dbraw/zinc/85/10/49/609851049.db2.gz IVEHZSIFEQJDBB-BXWFABGCSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC000938543290 609851051 /nfs/dbraw/zinc/85/10/51/609851051.db2.gz IVEHZSIFEQJDBB-BXWFABGCSA-N 1 1 347.459 0.618 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000938536776 609854629 /nfs/dbraw/zinc/85/46/29/609854629.db2.gz GLIDRYFDWNARLG-RDJZCZTQSA-N 1 1 340.427 0.688 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938539580 609857407 /nfs/dbraw/zinc/85/74/07/609857407.db2.gz KLIDGGMDEUGWBO-TZMCWYRMSA-N 1 1 329.404 0.511 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@@H]1C ZINC000947853658 611719335 /nfs/dbraw/zinc/71/93/35/611719335.db2.gz UKMCZGROIUFFMH-AAEUAGOBSA-N 1 1 332.404 0.731 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000914372186 609881497 /nfs/dbraw/zinc/88/14/97/609881497.db2.gz NKBNJJFDXFOHFT-INIZCTEOSA-N 1 1 337.445 0.661 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cs1 ZINC000916014668 609929639 /nfs/dbraw/zinc/92/96/39/609929639.db2.gz HQPFMWVNHXAOEK-ZDUSSCGKSA-N 1 1 343.474 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)COc3ccccc32)C1 ZINC000923598304 609942686 /nfs/dbraw/zinc/94/26/86/609942686.db2.gz UUNTWLOMHKKNFL-AWEZNQCLSA-N 1 1 327.384 0.626 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)COc3ccccc32)C1 ZINC000923598304 609942687 /nfs/dbraw/zinc/94/26/87/609942687.db2.gz UUNTWLOMHKKNFL-AWEZNQCLSA-N 1 1 327.384 0.626 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000917632885 609980059 /nfs/dbraw/zinc/98/00/59/609980059.db2.gz DRNSOOIAPHOAAH-CABCVRRESA-N 1 1 331.420 0.746 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccccn2)C1 ZINC000938756832 609982495 /nfs/dbraw/zinc/98/24/95/609982495.db2.gz ZADCQRPQUGPWBC-WBVHZDCISA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccccn2)C1 ZINC000938756832 609982497 /nfs/dbraw/zinc/98/24/97/609982497.db2.gz ZADCQRPQUGPWBC-WBVHZDCISA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]cc2C)C1 ZINC000938756713 609982568 /nfs/dbraw/zinc/98/25/68/609982568.db2.gz WDHZTUWXSPLFCP-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]cc2C)C1 ZINC000938756713 609982571 /nfs/dbraw/zinc/98/25/71/609982571.db2.gz WDHZTUWXSPLFCP-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC000938756866 609982823 /nfs/dbraw/zinc/98/28/23/609982823.db2.gz ZNPNIEPKMMFVKJ-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC000938756866 609982824 /nfs/dbraw/zinc/98/28/24/609982824.db2.gz ZNPNIEPKMMFVKJ-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2oncc2C)C1 ZINC000938756710 609982876 /nfs/dbraw/zinc/98/28/76/609982876.db2.gz VXUXMAHNGQNEII-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2oncc2C)C1 ZINC000938756710 609982878 /nfs/dbraw/zinc/98/28/78/609982878.db2.gz VXUXMAHNGQNEII-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938823614 610025915 /nfs/dbraw/zinc/02/59/15/610025915.db2.gz OOVQXKKULXQSNA-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000938904163 610036402 /nfs/dbraw/zinc/03/64/02/610036402.db2.gz ZPYJKVRMCSVPKN-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)nc1 ZINC000938967126 610058327 /nfs/dbraw/zinc/05/83/27/610058327.db2.gz QFFIOYBBGBFSIU-DOTOQJQBSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)nc1 ZINC000938967127 610058337 /nfs/dbraw/zinc/05/83/37/610058337.db2.gz QFFIOYBBGBFSIU-NVXWUHKLSA-N 1 1 340.427 0.830 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000939697956 610089707 /nfs/dbraw/zinc/08/97/07/610089707.db2.gz FKPJFNWNHSBEDH-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000939699611 610090988 /nfs/dbraw/zinc/09/09/88/610090988.db2.gz OMGPYIJFGFHHOW-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000939990126 610180121 /nfs/dbraw/zinc/18/01/21/610180121.db2.gz URUBYCKFINWZRS-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000939990126 610180123 /nfs/dbraw/zinc/18/01/23/610180123.db2.gz URUBYCKFINWZRS-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cccnc2)C1 ZINC000940033786 610191370 /nfs/dbraw/zinc/19/13/70/610191370.db2.gz CUEYZYIIVDCXFZ-SJORKVTESA-N 1 1 340.427 0.439 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cccnc2)C1 ZINC000940033786 610191371 /nfs/dbraw/zinc/19/13/71/610191371.db2.gz CUEYZYIIVDCXFZ-SJORKVTESA-N 1 1 340.427 0.439 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H](C)SC)CC1 ZINC000940349929 610270707 /nfs/dbraw/zinc/27/07/07/610270707.db2.gz KGPXOVYABRBSLM-CABCVRRESA-N 1 1 337.489 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H](C)SC)CC1 ZINC000940349929 610270708 /nfs/dbraw/zinc/27/07/08/610270708.db2.gz KGPXOVYABRBSLM-CABCVRRESA-N 1 1 337.489 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2ccon2)CC1 ZINC000940549115 610297749 /nfs/dbraw/zinc/29/77/49/610297749.db2.gz ZIWRXPCGNBXYEG-INIZCTEOSA-N 1 1 344.415 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2ccon2)CC1 ZINC000940549115 610297750 /nfs/dbraw/zinc/29/77/50/610297750.db2.gz ZIWRXPCGNBXYEG-INIZCTEOSA-N 1 1 344.415 0.376 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941433013 610313278 /nfs/dbraw/zinc/31/32/78/610313278.db2.gz LJWBXTXNZDTPLJ-KRWDZBQOSA-N 1 1 332.492 0.426 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000940652301 610324437 /nfs/dbraw/zinc/32/44/37/610324437.db2.gz XFJSQMXYBXZRFQ-CQSZACIVSA-N 1 1 343.431 0.903 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC000941454809 610327330 /nfs/dbraw/zinc/32/73/30/610327330.db2.gz JVAUWXZZOHCGJS-SFHVURJKSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)C1 ZINC000941472454 610330569 /nfs/dbraw/zinc/33/05/69/610330569.db2.gz YOLRTYTUFZBFLQ-UHFFFAOYSA-N 1 1 329.448 0.917 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940692663 610332693 /nfs/dbraw/zinc/33/26/93/610332693.db2.gz CXIAGNGLZRECDT-ZIAGYGMSSA-N 1 1 331.420 0.981 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940693543 610333222 /nfs/dbraw/zinc/33/32/22/610333222.db2.gz WTPKPEDQVOLUOK-OAHLLOKOSA-N 1 1 343.431 0.995 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940693543 610333224 /nfs/dbraw/zinc/33/32/24/610333224.db2.gz WTPKPEDQVOLUOK-OAHLLOKOSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccnnc2)CC1 ZINC000941465460 610334228 /nfs/dbraw/zinc/33/42/28/610334228.db2.gz MIIWHFLPFPEMFB-INIZCTEOSA-N 1 1 341.415 0.249 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccnnc2)CC1 ZINC000941465460 610334230 /nfs/dbraw/zinc/33/42/30/610334230.db2.gz MIIWHFLPFPEMFB-INIZCTEOSA-N 1 1 341.415 0.249 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c(OC)ccnc3OC)CC2)C1 ZINC000941484436 610337421 /nfs/dbraw/zinc/33/74/21/610337421.db2.gz YPRPTBHEPPITHJ-UHFFFAOYSA-N 1 1 346.431 0.727 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cccc4nccn43)CC2)C1 ZINC000941485605 610337841 /nfs/dbraw/zinc/33/78/41/610337841.db2.gz WFMHKBHOLWAHNY-UHFFFAOYSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000940745674 610347488 /nfs/dbraw/zinc/34/74/88/610347488.db2.gz SGDZAHSRMARAPF-HIFRSBDPSA-N 1 1 343.431 0.613 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3ccccn3)CC2)C1 ZINC000941513973 610352747 /nfs/dbraw/zinc/35/27/47/610352747.db2.gz ZWVUGYQORMASAO-UHFFFAOYSA-N 1 1 326.444 0.866 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cn(C)cn2)CC1 ZINC000940752194 610356397 /nfs/dbraw/zinc/35/63/97/610356397.db2.gz GZMACUSPSNWNET-INIZCTEOSA-N 1 1 343.431 0.192 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cn(C)cn2)CC1 ZINC000940752194 610356399 /nfs/dbraw/zinc/35/63/99/610356399.db2.gz GZMACUSPSNWNET-INIZCTEOSA-N 1 1 343.431 0.192 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)CC2)C1 ZINC000941538250 610358065 /nfs/dbraw/zinc/35/80/65/610358065.db2.gz YURINBVJKHQDCY-AWEZNQCLSA-N 1 1 330.436 0.239 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940783246 610360048 /nfs/dbraw/zinc/36/00/48/610360048.db2.gz UZQLQESDVKSLQT-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC000941527867 610360555 /nfs/dbraw/zinc/36/05/55/610360555.db2.gz BLMKOPZDUNXISV-SFHVURJKSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 ZINC000940806785 610372635 /nfs/dbraw/zinc/37/26/35/610372635.db2.gz ANGZBPLQIRQYMI-QWHCGFSZSA-N 1 1 336.436 0.767 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000942284358 610373131 /nfs/dbraw/zinc/37/31/31/610373131.db2.gz ARWYGXSYRGDVEU-GXTWGEPZSA-N 1 1 338.371 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2CC2(C)C)[C@H](OC)C1 ZINC000941568271 610377218 /nfs/dbraw/zinc/37/72/18/610377218.db2.gz OQLQMKBXGFTBAN-LVQVYYBASA-N 1 1 347.459 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2CC2(C)C)[C@H](OC)C1 ZINC000941568271 610377221 /nfs/dbraw/zinc/37/72/21/610377221.db2.gz OQLQMKBXGFTBAN-LVQVYYBASA-N 1 1 347.459 0.472 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Oc3cccnc3)CC2)C1 ZINC000941559656 610381973 /nfs/dbraw/zinc/38/19/73/610381973.db2.gz HZSUOWSIUMUGJM-HNNXBMFYSA-N 1 1 330.432 0.863 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c[nH]c(=O)cc3C)CC2)C1 ZINC000941563789 610384854 /nfs/dbraw/zinc/38/48/54/610384854.db2.gz NRVKJXVOZOSOIC-UHFFFAOYSA-N 1 1 328.416 0.561 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn(CCC)c3)CC2)C1 ZINC000941587069 610397274 /nfs/dbraw/zinc/39/72/74/610397274.db2.gz JULHBOFIASUNSA-UHFFFAOYSA-N 1 1 329.448 0.758 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC000941587846 610397639 /nfs/dbraw/zinc/39/76/39/610397639.db2.gz WTKBOWBQEIRSEB-UHFFFAOYSA-N 1 1 337.855 0.941 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3csc4cncn43)CC2)C1 ZINC000941590203 610399078 /nfs/dbraw/zinc/39/90/78/610399078.db2.gz GHMHXXGOJDYFSW-UHFFFAOYSA-N 1 1 343.456 0.861 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941599791 610400578 /nfs/dbraw/zinc/40/05/78/610400578.db2.gz KBXAKYZTEDIFNJ-IRXDYDNUSA-N 1 1 337.464 0.178 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3c[nH]cn3)CC2)C1 ZINC000941599575 610400814 /nfs/dbraw/zinc/40/08/14/610400814.db2.gz DLJPWRZKHDHLPK-OAHLLOKOSA-N 1 1 329.448 0.440 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000940865354 610402300 /nfs/dbraw/zinc/40/23/00/610402300.db2.gz WIOHONSIRFMVIS-GFCCVEGCSA-N 1 1 341.433 0.943 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cccn4ccnc34)CC2)C1 ZINC000941605521 610404386 /nfs/dbraw/zinc/40/43/86/610404386.db2.gz MEZLXQKRWMNLIR-UHFFFAOYSA-N 1 1 325.416 0.962 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C3(N4CCOCC4)CCC3)CC2)C1 ZINC000941627685 610416382 /nfs/dbraw/zinc/41/63/82/610416382.db2.gz KFACFFCYRRQRTR-UHFFFAOYSA-N 1 1 348.491 0.256 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cn(C(C)C)nn3)CC2)C1 ZINC000941620468 610425855 /nfs/dbraw/zinc/42/58/55/610425855.db2.gz IDUZFLMYEFHWTJ-UHFFFAOYSA-N 1 1 332.452 0.877 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](C)C1 ZINC000942390930 610432799 /nfs/dbraw/zinc/43/27/99/610432799.db2.gz CZEMYJZNSBJIQC-HUUCEWRRSA-N 1 1 346.431 0.353 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000940919161 610440614 /nfs/dbraw/zinc/44/06/14/610440614.db2.gz XLDRHZMACFHUNI-OAHLLOKOSA-N 1 1 339.403 0.521 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC000942430314 610447372 /nfs/dbraw/zinc/44/73/72/610447372.db2.gz SFBYIAOYNFXYTH-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN3C(=O)CCC)CC2)C1 ZINC000941677054 610450053 /nfs/dbraw/zinc/45/00/53/610450053.db2.gz IVYDBCKFJVHGBB-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)C1 ZINC000941668272 610458912 /nfs/dbraw/zinc/45/89/12/610458912.db2.gz KDPKRLDDTILMMD-UHFFFAOYSA-N 1 1 342.443 0.904 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000940994248 610474284 /nfs/dbraw/zinc/47/42/84/610474284.db2.gz TYDPTWJDHWKVCP-OAHLLOKOSA-N 1 1 344.415 0.769 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000942497424 610482120 /nfs/dbraw/zinc/48/21/20/610482120.db2.gz RZAPYZQUOAKORN-LSDHHAIUSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c(C)ncn2C)C1 ZINC000941020278 610487470 /nfs/dbraw/zinc/48/74/70/610487470.db2.gz VMMXBMWIGHYZBH-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c(C)ncn2C)C1 ZINC000941020278 610487472 /nfs/dbraw/zinc/48/74/72/610487472.db2.gz VMMXBMWIGHYZBH-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000942518393 610492952 /nfs/dbraw/zinc/49/29/52/610492952.db2.gz QXPYJAFXFIJNPC-GJZGRUSLSA-N 1 1 341.477 0.262 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)CC2(C)C)c1 ZINC000941015876 610495431 /nfs/dbraw/zinc/49/54/31/610495431.db2.gz WEVYUVJUYCFBMJ-DOMZBBRYSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)c1 ZINC000941015876 610495434 /nfs/dbraw/zinc/49/54/34/610495434.db2.gz WEVYUVJUYCFBMJ-DOMZBBRYSA-N 1 1 328.416 0.767 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H](C)C1 ZINC000942527294 610499506 /nfs/dbraw/zinc/49/95/06/610499506.db2.gz KFEOJDSCSHDVIN-AAEUAGOBSA-N 1 1 327.388 0.404 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H](C)C1 ZINC000942527291 610499637 /nfs/dbraw/zinc/49/96/37/610499637.db2.gz KDVCTGWGSSVJNU-JSGCOSHPSA-N 1 1 341.415 0.795 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](C)C1 ZINC000942530800 610501682 /nfs/dbraw/zinc/50/16/82/610501682.db2.gz VXGLCVNNDJQARE-JSGCOSHPSA-N 1 1 325.376 0.131 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941791460 610510491 /nfs/dbraw/zinc/51/04/91/610510491.db2.gz UBQLBNZYPIOQHK-XJKSGUPXSA-N 1 1 339.403 0.572 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000941050214 610511480 /nfs/dbraw/zinc/51/14/80/610511480.db2.gz QDFPQDGSWYFJHA-GJZGRUSLSA-N 1 1 344.463 0.866 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000941883603 610541638 /nfs/dbraw/zinc/54/16/38/610541638.db2.gz SIUNTCWCAJPXST-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941125095 610554805 /nfs/dbraw/zinc/55/48/05/610554805.db2.gz ZXVLNNSWTYJPJL-AWEZNQCLSA-N 1 1 346.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966863 610581387 /nfs/dbraw/zinc/58/13/87/610581387.db2.gz OJBDCXZKZIOQID-TZMCWYRMSA-N 1 1 344.419 0.352 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941963365 610586183 /nfs/dbraw/zinc/58/61/83/610586183.db2.gz KPFATZQYPAXNSH-IAQYHMDHSA-N 1 1 329.404 0.605 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941226385 610610379 /nfs/dbraw/zinc/61/03/79/610610379.db2.gz OCYKBKWAZPODQV-CHWSQXEVSA-N 1 1 329.466 0.471 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC000941242198 610615222 /nfs/dbraw/zinc/61/52/22/610615222.db2.gz YXCOEAOGHISSLX-WBVHZDCISA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC000941242198 610615224 /nfs/dbraw/zinc/61/52/24/610615224.db2.gz YXCOEAOGHISSLX-WBVHZDCISA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(OC)no2)C1 ZINC000941237472 610620735 /nfs/dbraw/zinc/62/07/35/610620735.db2.gz AOLYVNLGOXBRAR-OLZOCXBDSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(OC)no2)C1 ZINC000941237472 610620737 /nfs/dbraw/zinc/62/07/37/610620737.db2.gz AOLYVNLGOXBRAR-OLZOCXBDSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(C)nn2)C1 ZINC000941237533 610620791 /nfs/dbraw/zinc/62/07/91/610620791.db2.gz BVBJZNNPBCXAAR-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(C)nn2)C1 ZINC000941237533 610620793 /nfs/dbraw/zinc/62/07/93/610620793.db2.gz BVBJZNNPBCXAAR-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC000941237709 610621431 /nfs/dbraw/zinc/62/14/31/610621431.db2.gz HHAZYZFVPUFYBB-CVEARBPZSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC000941237709 610621433 /nfs/dbraw/zinc/62/14/33/610621433.db2.gz HHAZYZFVPUFYBB-CVEARBPZSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000941237796 610621527 /nfs/dbraw/zinc/62/15/27/610621527.db2.gz JWQOEXJCAUYHFK-CVEARBPZSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000941237796 610621529 /nfs/dbraw/zinc/62/15/29/610621529.db2.gz JWQOEXJCAUYHFK-CVEARBPZSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC000942080376 610640740 /nfs/dbraw/zinc/64/07/40/610640740.db2.gz XTMFXBNGIAOZJG-KGLIPLIRSA-N 1 1 332.452 0.821 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCCN(C(=O)[C@H](C)C#N)CC1)C2 ZINC000942153040 610676336 /nfs/dbraw/zinc/67/63/36/610676336.db2.gz NNFRMOLTMOUBBK-HIFRSBDPSA-N 1 1 343.431 0.975 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C2C[NH+](C[C@H]3CC(C)(C)CO3)C2)CC1 ZINC000941348929 610685499 /nfs/dbraw/zinc/68/54/99/610685499.db2.gz SYSDIIOXKMWPJQ-GDBMZVCRSA-N 1 1 334.464 0.790 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H](C)C1 ZINC000942176389 610686608 /nfs/dbraw/zinc/68/66/08/610686608.db2.gz OWVOXNPTAWDRQU-JSGCOSHPSA-N 1 1 326.462 0.824 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H](C)C1 ZINC000942176772 610686670 /nfs/dbraw/zinc/68/66/70/610686670.db2.gz QHCPCRJNHVKBQN-DZGCQCFKSA-N 1 1 338.473 0.661 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408645 610722415 /nfs/dbraw/zinc/72/24/15/610722415.db2.gz OPGMKDBPVTVCPT-HOTGVXAUSA-N 1 1 331.464 0.213 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 ZINC000944136105 610752620 /nfs/dbraw/zinc/75/26/20/610752620.db2.gz RRYWLWHWJUKCHJ-UONOGXRCSA-N 1 1 336.436 0.673 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 ZINC000944136103 610752632 /nfs/dbraw/zinc/75/26/32/610752632.db2.gz RRYWLWHWJUKCHJ-KBPBESRZSA-N 1 1 336.436 0.673 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000943231791 610758027 /nfs/dbraw/zinc/75/80/27/610758027.db2.gz KWKBKQDPBKMIJV-OCCSQVGLSA-N 1 1 334.420 0.100 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000943264932 610768562 /nfs/dbraw/zinc/76/85/62/610768562.db2.gz NYJJDBHKFBUOMV-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@@H]2C)cn1 ZINC000944214623 610786892 /nfs/dbraw/zinc/78/68/92/610786892.db2.gz MSGXLPZOZFZOPP-GUYCJALGSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C[C@@H]2C)cn1 ZINC000944214623 610786893 /nfs/dbraw/zinc/78/68/93/610786893.db2.gz MSGXLPZOZFZOPP-GUYCJALGSA-N 1 1 338.415 0.832 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 ZINC000944790270 610787574 /nfs/dbraw/zinc/78/75/74/610787574.db2.gz PBEMGUJBLLHPKF-JQWIXIFHSA-N 1 1 342.827 0.460 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 ZINC000944790270 610787576 /nfs/dbraw/zinc/78/75/76/610787576.db2.gz PBEMGUJBLLHPKF-JQWIXIFHSA-N 1 1 342.827 0.460 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1nccs1 ZINC000944232148 610800241 /nfs/dbraw/zinc/80/02/41/610800241.db2.gz YLKAQUSTXPKXPB-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1nccs1 ZINC000944232148 610800244 /nfs/dbraw/zinc/80/02/44/610800244.db2.gz YLKAQUSTXPKXPB-KGLIPLIRSA-N 1 1 346.456 0.962 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)[C@H](C)C#N)C3)CC2)C1 ZINC000944951282 610854042 /nfs/dbraw/zinc/85/40/42/610854042.db2.gz KRGBDJAYSHSJDU-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)[C@H](C)C#N)C3)CC2)C1 ZINC000944951282 610854045 /nfs/dbraw/zinc/85/40/45/610854045.db2.gz KRGBDJAYSHSJDU-CABCVRRESA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC000944984089 610869058 /nfs/dbraw/zinc/86/90/58/610869058.db2.gz ZBSPWXIIUAFTKX-CABCVRRESA-N 1 1 332.448 0.939 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](C)C1 ZINC000943516324 610881561 /nfs/dbraw/zinc/88/15/61/610881561.db2.gz LLVJKUWXQJLBMA-GJZGRUSLSA-N 1 1 348.451 0.582 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](C)C1 ZINC000943516326 610881657 /nfs/dbraw/zinc/88/16/57/610881657.db2.gz LLVJKUWXQJLBMA-LSDHHAIUSA-N 1 1 348.451 0.582 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C(F)F)CC1 ZINC000943581420 610909332 /nfs/dbraw/zinc/90/93/32/610909332.db2.gz BTBZYXQWVHFOFA-AVGNSLFASA-N 1 1 327.375 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C(F)F)CC1 ZINC000943581420 610909335 /nfs/dbraw/zinc/90/93/35/610909335.db2.gz BTBZYXQWVHFOFA-AVGNSLFASA-N 1 1 327.375 0.893 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944629225 611031279 /nfs/dbraw/zinc/03/12/79/611031279.db2.gz XCEUQYUOVYMULC-IAGOWNOFSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC000943914172 611037952 /nfs/dbraw/zinc/03/79/52/611037952.db2.gz IEAGIEYDEAZMJL-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2CC=CC2)CCO1 ZINC000944645852 611054915 /nfs/dbraw/zinc/05/49/15/611054915.db2.gz CFBHUSQXJSNTOW-IRXDYDNUSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2CC=CC2)CCO1 ZINC000944645852 611054918 /nfs/dbraw/zinc/05/49/18/611054918.db2.gz CFBHUSQXJSNTOW-IRXDYDNUSA-N 1 1 345.443 0.394 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)nc1 ZINC000944029569 611090754 /nfs/dbraw/zinc/09/07/54/611090754.db2.gz XEBHJTHXCCDHDG-JKSUJKDBSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]2C1 ZINC000946820737 611172651 /nfs/dbraw/zinc/17/26/51/611172651.db2.gz DVTQASLQOYYNSL-OKILXGFUSA-N 1 1 333.432 0.786 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CC[C@@H]2C1 ZINC000946834062 611183140 /nfs/dbraw/zinc/18/31/40/611183140.db2.gz WHDBPJXKFBLMKY-OKILXGFUSA-N 1 1 344.415 0.542 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923282287 611224185 /nfs/dbraw/zinc/22/41/85/611224185.db2.gz MBWXUCDZYWDAOW-ROUUACIJSA-N 1 1 342.443 0.735 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000923282287 611224188 /nfs/dbraw/zinc/22/41/88/611224188.db2.gz MBWXUCDZYWDAOW-ROUUACIJSA-N 1 1 342.443 0.735 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000923282287 611224190 /nfs/dbraw/zinc/22/41/90/611224190.db2.gz MBWXUCDZYWDAOW-ROUUACIJSA-N 1 1 342.443 0.735 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCCCS2(=O)=O)CC1 ZINC000948621193 611224646 /nfs/dbraw/zinc/22/46/46/611224646.db2.gz MEJPPSRGUMUOKR-OAHLLOKOSA-N 1 1 343.493 0.911 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC[C@@H]2C1 ZINC000946897318 611237909 /nfs/dbraw/zinc/23/79/09/611237909.db2.gz YYMCOQWQTRCFNC-OWCLPIDISA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)CC[C@@H]2C1 ZINC000946911302 611253572 /nfs/dbraw/zinc/25/35/72/611253572.db2.gz MZFLHGBWWRRHOP-IYBDPMFKSA-N 1 1 340.427 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)C1 ZINC000923578869 611266854 /nfs/dbraw/zinc/26/68/54/611266854.db2.gz KEKXXPRQWDYJDI-AWEZNQCLSA-N 1 1 341.415 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)C1 ZINC000923578869 611266856 /nfs/dbraw/zinc/26/68/56/611266856.db2.gz KEKXXPRQWDYJDI-AWEZNQCLSA-N 1 1 341.415 0.808 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000923579996 611268267 /nfs/dbraw/zinc/26/82/67/611268267.db2.gz VMXZXCWABYEMKA-KGLIPLIRSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 ZINC000923579996 611268268 /nfs/dbraw/zinc/26/82/68/611268268.db2.gz VMXZXCWABYEMKA-KGLIPLIRSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C1 ZINC000923580338 611268460 /nfs/dbraw/zinc/26/84/60/611268460.db2.gz AHQLOXAHCUHIEM-GFCCVEGCSA-N 1 1 338.433 0.092 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C1 ZINC000923580338 611268462 /nfs/dbraw/zinc/26/84/62/611268462.db2.gz AHQLOXAHCUHIEM-GFCCVEGCSA-N 1 1 338.433 0.092 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000923580442 611268724 /nfs/dbraw/zinc/26/87/24/611268724.db2.gz CMHXVXMHHAISTP-RDJZCZTQSA-N 1 1 340.427 0.644 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000923580442 611268726 /nfs/dbraw/zinc/26/87/26/611268726.db2.gz CMHXVXMHHAISTP-RDJZCZTQSA-N 1 1 340.427 0.644 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000948647920 611280098 /nfs/dbraw/zinc/28/00/98/611280098.db2.gz NLMYXRJUAYBLSH-CABCVRRESA-N 1 1 343.418 0.898 20 30 ECEDMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1 ZINC000946558859 611319609 /nfs/dbraw/zinc/31/96/09/611319609.db2.gz NHFHXFVQWAEJFE-MCIONIFRSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCOCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000921869532 611322721 /nfs/dbraw/zinc/32/27/21/611322721.db2.gz BMTBZFVOBHZHDA-PNBKFKSVSA-N 1 1 325.453 0.968 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000921909852 611325504 /nfs/dbraw/zinc/32/55/04/611325504.db2.gz CPXCZNMBYOSXRR-AWEZNQCLSA-N 1 1 336.417 0.485 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000921909852 611325505 /nfs/dbraw/zinc/32/55/05/611325505.db2.gz CPXCZNMBYOSXRR-AWEZNQCLSA-N 1 1 336.417 0.485 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000921909853 611325685 /nfs/dbraw/zinc/32/56/85/611325685.db2.gz CPXCZNMBYOSXRR-CQSZACIVSA-N 1 1 336.417 0.485 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000921909853 611325686 /nfs/dbraw/zinc/32/56/86/611325686.db2.gz CPXCZNMBYOSXRR-CQSZACIVSA-N 1 1 336.417 0.485 20 30 ECEDMO C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000922184156 611342383 /nfs/dbraw/zinc/34/23/83/611342383.db2.gz ORNJZBMJLBFMDP-HZPDHXFCSA-N 1 1 341.415 0.662 20 30 ECEDMO C[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000922184147 611342391 /nfs/dbraw/zinc/34/23/91/611342391.db2.gz ORNJZBMJLBFMDP-CVEARBPZSA-N 1 1 341.415 0.662 20 30 ECEDMO N#Cc1ccncc1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922345456 611347644 /nfs/dbraw/zinc/34/76/44/611347644.db2.gz PSHRZCKCDBRXLC-MRXNPFEDSA-N 1 1 343.431 0.480 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C ZINC000947895106 611734655 /nfs/dbraw/zinc/73/46/55/611734655.db2.gz HPBUFDVTJZCNBE-STQMWFEESA-N 1 1 334.420 0.309 20 30 ECEDMO CCOC(=O)CCCNC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933656415 611739583 /nfs/dbraw/zinc/73/95/83/611739583.db2.gz JMTVMMCLMICUTI-UHFFFAOYSA-N 1 1 338.404 0.784 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1 ZINC000933762872 611748348 /nfs/dbraw/zinc/74/83/48/611748348.db2.gz IMYZMIAVEYSSBQ-MPGHIAIKSA-N 1 1 329.400 0.885 20 30 ECEDMO CO[C@H]1CC[C@H]1[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000934118880 611769952 /nfs/dbraw/zinc/76/99/52/611769952.db2.gz QQMCXFKVZUNBNQ-CABCVRRESA-N 1 1 347.419 0.613 20 30 ECEDMO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC000949854007 611782734 /nfs/dbraw/zinc/78/27/34/611782734.db2.gz CZYNPWJGDQIPPM-OAHLLOKOSA-N 1 1 342.403 0.290 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCN(c3ccccc3)[C@H](C)C2)CC1 ZINC000934323143 611790163 /nfs/dbraw/zinc/79/01/63/611790163.db2.gz NEADPHYXWOQUAW-GOSISDBHSA-N 1 1 340.471 0.975 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCN(c3ccccc3)[C@H](C)C2)CC1 ZINC000934323143 611790165 /nfs/dbraw/zinc/79/01/65/611790165.db2.gz NEADPHYXWOQUAW-GOSISDBHSA-N 1 1 340.471 0.975 20 30 ECEDMO C#C[C@H]1CCCC[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000934519714 611806315 /nfs/dbraw/zinc/80/63/15/611806315.db2.gz SRLQACNQLQOICI-AWEZNQCLSA-N 1 1 327.450 0.014 20 30 ECEDMO C#C[C@H]1CCCC[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000934519714 611806316 /nfs/dbraw/zinc/80/63/16/611806316.db2.gz SRLQACNQLQOICI-AWEZNQCLSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000950648566 611816744 /nfs/dbraw/zinc/81/67/44/611816744.db2.gz RACUEYGBZPJVKT-WQVCFCJDSA-N 1 1 346.406 0.828 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000950648566 611816746 /nfs/dbraw/zinc/81/67/46/611816746.db2.gz RACUEYGBZPJVKT-WQVCFCJDSA-N 1 1 346.406 0.828 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2coc(C)n2)C1 ZINC000950648524 611816882 /nfs/dbraw/zinc/81/68/82/611816882.db2.gz OWVVEAUQXUDXSK-XPKDYRNWSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2coc(C)n2)C1 ZINC000950648524 611816884 /nfs/dbraw/zinc/81/68/84/611816884.db2.gz OWVVEAUQXUDXSK-XPKDYRNWSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1(C)CCOCC1 ZINC000950755155 611890835 /nfs/dbraw/zinc/89/08/35/611890835.db2.gz FENFAZVROPTYMD-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1(C)CCOCC1 ZINC000950755155 611890837 /nfs/dbraw/zinc/89/08/37/611890837.db2.gz FENFAZVROPTYMD-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccnc(C)c1 ZINC000950755995 611892016 /nfs/dbraw/zinc/89/20/16/611892016.db2.gz ZKRTUGYDKZJTQF-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccnc(C)c1 ZINC000950755995 611892018 /nfs/dbraw/zinc/89/20/18/611892018.db2.gz ZKRTUGYDKZJTQF-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC000950818682 611924341 /nfs/dbraw/zinc/92/43/41/611924341.db2.gz XCAVETSJCXTRNS-UHFFFAOYSA-N 1 1 332.404 0.059 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000950854022 611946348 /nfs/dbraw/zinc/94/63/48/611946348.db2.gz CBBRIYORDQCFPO-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cc3nnc(C)[nH]3)CC2)C1 ZINC000949362397 611952988 /nfs/dbraw/zinc/95/29/88/611952988.db2.gz MQTMMUYHTBGYIB-UHFFFAOYSA-N 1 1 331.420 0.372 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950319718 611969443 /nfs/dbraw/zinc/96/94/43/611969443.db2.gz KYODKYLCPKLMLF-UONOGXRCSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC000949423653 611973948 /nfs/dbraw/zinc/97/39/48/611973948.db2.gz JASQEZWULHALMV-UHFFFAOYSA-N 1 1 345.447 0.557 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC000949423653 611973950 /nfs/dbraw/zinc/97/39/50/611973950.db2.gz JASQEZWULHALMV-UHFFFAOYSA-N 1 1 345.447 0.557 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000949451785 611985762 /nfs/dbraw/zinc/98/57/62/611985762.db2.gz ARLRJQQDGUNANU-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000949452122 611986205 /nfs/dbraw/zinc/98/62/05/611986205.db2.gz GORDMMRKUPBHJH-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC000949472433 611992316 /nfs/dbraw/zinc/99/23/16/611992316.db2.gz FIPQCHVKPCMHGG-CVEARBPZSA-N 1 1 347.459 0.605 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC000949472433 611992317 /nfs/dbraw/zinc/99/23/17/611992317.db2.gz FIPQCHVKPCMHGG-CVEARBPZSA-N 1 1 347.459 0.605 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](C[C@@H](C)O)CCO2 ZINC000949476680 611994185 /nfs/dbraw/zinc/99/41/85/611994185.db2.gz BSJUSOXZFWSSPN-OAGGEKHMSA-N 1 1 338.448 0.652 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949480200 611995828 /nfs/dbraw/zinc/99/58/28/611995828.db2.gz LFSUQTZUQTWKNH-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC000949490023 612002789 /nfs/dbraw/zinc/00/27/89/612002789.db2.gz YDJPBFUBEKSJOK-UHFFFAOYSA-N 1 1 344.415 0.816 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC000949490023 612002790 /nfs/dbraw/zinc/00/27/90/612002790.db2.gz YDJPBFUBEKSJOK-UHFFFAOYSA-N 1 1 344.415 0.816 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3nonc3C)CC2)C1 ZINC000949504044 612012235 /nfs/dbraw/zinc/01/22/35/612012235.db2.gz NLDLYHOMLIGXTM-UHFFFAOYSA-N 1 1 332.404 0.637 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)Cc3nonc3C)CC2)C1 ZINC000949504044 612012237 /nfs/dbraw/zinc/01/22/37/612012237.db2.gz NLDLYHOMLIGXTM-UHFFFAOYSA-N 1 1 332.404 0.637 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000949506119 612013111 /nfs/dbraw/zinc/01/31/11/612013111.db2.gz CXNDCOVUNUIPSR-BBWFWOEESA-N 1 1 349.475 0.884 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC000949518150 612018192 /nfs/dbraw/zinc/01/81/92/612018192.db2.gz NCMBFGVSDFPLLT-UHFFFAOYSA-N 1 1 341.415 0.993 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnc(C)nc2)C1 ZINC000950533774 612057873 /nfs/dbraw/zinc/05/78/73/612057873.db2.gz LQVFNEBAUBLSIR-SFHVURJKSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnc(C)nc2)C1 ZINC000950533774 612057875 /nfs/dbraw/zinc/05/78/75/612057875.db2.gz LQVFNEBAUBLSIR-SFHVURJKSA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C(C)(F)F)C1 ZINC000949708345 612065823 /nfs/dbraw/zinc/06/58/23/612065823.db2.gz UNTCMIYGQONSAR-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C(C)(F)F)C1 ZINC000949708345 612065825 /nfs/dbraw/zinc/06/58/25/612065825.db2.gz UNTCMIYGQONSAR-OLZOCXBDSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000949739030 612071247 /nfs/dbraw/zinc/07/12/47/612071247.db2.gz QFCIRDYEFUJBKU-IRXDYDNUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000949739030 612071248 /nfs/dbraw/zinc/07/12/48/612071248.db2.gz QFCIRDYEFUJBKU-IRXDYDNUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2oncc2C)C1 ZINC000951223531 612088428 /nfs/dbraw/zinc/08/84/28/612088428.db2.gz JVFXTLSJKLZGRE-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2oncc2C)C1 ZINC000951223531 612088433 /nfs/dbraw/zinc/08/84/33/612088433.db2.gz JVFXTLSJKLZGRE-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000951223875 612088773 /nfs/dbraw/zinc/08/87/73/612088773.db2.gz RREKLOGZMCEIBT-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000951223875 612088774 /nfs/dbraw/zinc/08/87/74/612088774.db2.gz RREKLOGZMCEIBT-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC000952748361 612089551 /nfs/dbraw/zinc/08/95/51/612089551.db2.gz HGFFILMNLYYIMW-AEGPPILISA-N 1 1 329.404 0.943 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000951965526 612157985 /nfs/dbraw/zinc/15/79/85/612157985.db2.gz KKYDIVQGOYOWQZ-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000951965526 612157986 /nfs/dbraw/zinc/15/79/86/612157986.db2.gz KKYDIVQGOYOWQZ-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000952034503 612192992 /nfs/dbraw/zinc/19/29/92/612192992.db2.gz OBWMQQSVSGFNBE-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000952034656 612193664 /nfs/dbraw/zinc/19/36/64/612193664.db2.gz OJIDSZUSDCQRCC-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000952034654 612193838 /nfs/dbraw/zinc/19/38/38/612193838.db2.gz OJIDSZUSDCQRCC-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000953196159 612200470 /nfs/dbraw/zinc/20/04/70/612200470.db2.gz VQBQPNVWMAQGEU-CRAIPNDOSA-N 1 1 348.447 0.319 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H](C)n2cccn2)C1 ZINC000953785870 612270235 /nfs/dbraw/zinc/27/02/35/612270235.db2.gz FEDHRYKYATZUAK-HOCLYGCPSA-N 1 1 343.431 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H](C)n2cccn2)C1 ZINC000953785870 612270237 /nfs/dbraw/zinc/27/02/37/612270237.db2.gz FEDHRYKYATZUAK-HOCLYGCPSA-N 1 1 343.431 0.211 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000952219575 612296536 /nfs/dbraw/zinc/29/65/36/612296536.db2.gz UEBSOPFRXUHMRS-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C1CCC(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000955222487 612362937 /nfs/dbraw/zinc/36/29/37/612362937.db2.gz URBHOVKZUWBURW-MRXNPFEDSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CCC(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000955222487 612362940 /nfs/dbraw/zinc/36/29/40/612362940.db2.gz URBHOVKZUWBURW-MRXNPFEDSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2=COCCC2)C1 ZINC000953873307 612376092 /nfs/dbraw/zinc/37/60/92/612376092.db2.gz DYCZVKDVGCAGAA-INIZCTEOSA-N 1 1 331.416 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2=COCCC2)C1 ZINC000953873307 612376095 /nfs/dbraw/zinc/37/60/95/612376095.db2.gz DYCZVKDVGCAGAA-INIZCTEOSA-N 1 1 331.416 0.448 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000955258859 612388726 /nfs/dbraw/zinc/38/87/26/612388726.db2.gz HDIARTYSUHJIKI-INIZCTEOSA-N 1 1 326.400 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cccnc2)C1 ZINC000953548982 612401006 /nfs/dbraw/zinc/40/10/06/612401006.db2.gz DIRMUAQTDYBDCB-INIZCTEOSA-N 1 1 326.400 0.462 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cccnc2)C1 ZINC000953548982 612401012 /nfs/dbraw/zinc/40/10/12/612401012.db2.gz DIRMUAQTDYBDCB-INIZCTEOSA-N 1 1 326.400 0.462 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC000953902693 612413979 /nfs/dbraw/zinc/41/39/79/612413979.db2.gz IXHKYISUGJPTDW-INIZCTEOSA-N 1 1 326.400 0.440 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)nc1 ZINC000953902782 612414108 /nfs/dbraw/zinc/41/41/08/612414108.db2.gz LGNZCJRTKBUMIA-MRXNPFEDSA-N 1 1 326.400 0.440 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000951637396 612420997 /nfs/dbraw/zinc/42/09/97/612420997.db2.gz UPBIFGPLVUXGNY-ULQDDVLXSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)co2)C1 ZINC000954630297 612466978 /nfs/dbraw/zinc/46/69/78/612466978.db2.gz AHUIYRRKXQBVLX-HNNXBMFYSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)co2)C1 ZINC000954630297 612466981 /nfs/dbraw/zinc/46/69/81/612466981.db2.gz AHUIYRRKXQBVLX-HNNXBMFYSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](OC)C2CC2)C1 ZINC000954631090 612469423 /nfs/dbraw/zinc/46/94/23/612469423.db2.gz ORDATFMRDZHCJY-JKSUJKDBSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](OC)C2CC2)C1 ZINC000954631090 612469426 /nfs/dbraw/zinc/46/94/26/612469426.db2.gz ORDATFMRDZHCJY-JKSUJKDBSA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]nc2C)C1 ZINC000954631144 612469464 /nfs/dbraw/zinc/46/94/64/612469464.db2.gz QEVXEWHAJVJIDZ-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]nc2C)C1 ZINC000954631144 612469465 /nfs/dbraw/zinc/46/94/65/612469465.db2.gz QEVXEWHAJVJIDZ-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccnc(C)n2)C1 ZINC000954632538 612472124 /nfs/dbraw/zinc/47/21/24/612472124.db2.gz ZPPNEWXKVSFMPT-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccnc(C)n2)C1 ZINC000954632538 612472129 /nfs/dbraw/zinc/47/21/29/612472129.db2.gz ZPPNEWXKVSFMPT-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000954632542 612472188 /nfs/dbraw/zinc/47/21/88/612472188.db2.gz ZTLNKVOCVSRORV-KBPBESRZSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000954632542 612472191 /nfs/dbraw/zinc/47/21/91/612472191.db2.gz ZTLNKVOCVSRORV-KBPBESRZSA-N 1 1 339.386 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cncc(C)c2)C1 ZINC000953957648 612491908 /nfs/dbraw/zinc/49/19/08/612491908.db2.gz FVHLPDNSRYEAHH-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cncc(C)c2)C1 ZINC000953957648 612491913 /nfs/dbraw/zinc/49/19/13/612491913.db2.gz FVHLPDNSRYEAHH-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000956776914 612518442 /nfs/dbraw/zinc/51/84/42/612518442.db2.gz RLNQYAYIXXRQMD-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956802894 612566740 /nfs/dbraw/zinc/56/67/40/612566740.db2.gz VCPNFBUECKCWCK-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2cocn2)CC1 ZINC000954044491 612585887 /nfs/dbraw/zinc/58/58/87/612585887.db2.gz DFIBYNUPAYYLMO-INIZCTEOSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2cocn2)CC1 ZINC000954044491 612585890 /nfs/dbraw/zinc/58/58/90/612585890.db2.gz DFIBYNUPAYYLMO-INIZCTEOSA-N 1 1 344.415 0.835 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC000956017435 612613722 /nfs/dbraw/zinc/61/37/22/612613722.db2.gz DVHPCMXKEZWBMV-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccnnc1 ZINC000956072449 612676549 /nfs/dbraw/zinc/67/65/49/612676549.db2.gz FIOXKWCBMPAMAP-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccnnc1 ZINC000956072449 612676551 /nfs/dbraw/zinc/67/65/51/612676551.db2.gz FIOXKWCBMPAMAP-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1=O ZINC000245709074 612725415 /nfs/dbraw/zinc/72/54/15/612725415.db2.gz DWEAKNQMGJBNGT-ZIAGYGMSSA-N 1 1 334.420 0.479 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1=O ZINC000245709074 612725417 /nfs/dbraw/zinc/72/54/17/612725417.db2.gz DWEAKNQMGJBNGT-ZIAGYGMSSA-N 1 1 334.420 0.479 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954836764 612729889 /nfs/dbraw/zinc/72/98/89/612729889.db2.gz PURDTGTWTMLMLN-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]cc1F ZINC000956204329 612777428 /nfs/dbraw/zinc/77/74/28/612777428.db2.gz NSCYSOSOGMYGFL-JSGCOSHPSA-N 1 1 347.394 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]cc1F ZINC000956204329 612777430 /nfs/dbraw/zinc/77/74/30/612777430.db2.gz NSCYSOSOGMYGFL-JSGCOSHPSA-N 1 1 347.394 0.367 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000954911896 612781315 /nfs/dbraw/zinc/78/13/15/612781315.db2.gz AJQWOGVYBQBFAP-CXAGYDPISA-N 1 1 340.427 0.686 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000954912205 612781672 /nfs/dbraw/zinc/78/16/72/612781672.db2.gz GCMUXMKBINRCFS-CQSZACIVSA-N 1 1 326.400 0.297 20 30 ECEDMO CN(C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954280526 612820514 /nfs/dbraw/zinc/82/05/14/612820514.db2.gz IBVDMOAWRATNIM-JKSUJKDBSA-N 1 1 329.444 0.943 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(C)(NC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000956332594 612838813 /nfs/dbraw/zinc/83/88/13/612838813.db2.gz CUSZIZDLDCYZIJ-AWEZNQCLSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CCCOC2)C1 ZINC000954338051 612864702 /nfs/dbraw/zinc/86/47/02/612864702.db2.gz ZMIPWTQNRFONNW-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CCCOC2)C1 ZINC000954338051 612864704 /nfs/dbraw/zinc/86/47/04/612864704.db2.gz ZMIPWTQNRFONNW-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2cnco2)CC1 ZINC000956439336 612883536 /nfs/dbraw/zinc/88/35/36/612883536.db2.gz VAKOSAABOPHVKO-AWEZNQCLSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2cnco2)CC1 ZINC000956439336 612883537 /nfs/dbraw/zinc/88/35/37/612883537.db2.gz VAKOSAABOPHVKO-AWEZNQCLSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nccs2)C1 ZINC000955100671 612902144 /nfs/dbraw/zinc/90/21/44/612902144.db2.gz BWNVENDZEJBQQB-ZDUSSCGKSA-N 1 1 332.429 0.524 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nccs2)C1 ZINC000955100671 612902145 /nfs/dbraw/zinc/90/21/45/612902145.db2.gz BWNVENDZEJBQQB-ZDUSSCGKSA-N 1 1 332.429 0.524 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3cnc(C#N)c(C)n3)CC[C@H]2C1 ZINC001164858940 720869835 /nfs/dbraw/zinc/86/98/35/720869835.db2.gz SZJWLBHABXYWLE-HOCLYGCPSA-N 1 1 331.420 0.830 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000971872617 735290846 /nfs/dbraw/zinc/29/08/46/735290846.db2.gz CQXQJQKYJVDVDZ-UHOFOFEASA-N 1 1 341.415 0.653 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)Nc2ccc(C#N)cn2)C1 ZINC001098215867 735377032 /nfs/dbraw/zinc/37/70/32/735377032.db2.gz XRMGTFRRWMPBRK-HIFRSBDPSA-N 1 1 331.420 0.979 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CCCc2nc(C)no2)CC1 ZINC001098561145 735468981 /nfs/dbraw/zinc/46/89/81/735468981.db2.gz UGBBSFSQSVGDDW-UHFFFAOYSA-N 1 1 334.420 0.619 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNc1nc(C)[nH+]c(C)c1C ZINC001104530810 738440354 /nfs/dbraw/zinc/44/03/54/738440354.db2.gz QMWYKBNDQHGTCH-NSHDSACASA-N 1 1 331.420 0.800 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H](n2ccnn2)C1 ZINC001069973893 790265742 /nfs/dbraw/zinc/26/57/42/790265742.db2.gz LOEKASOPRSSGTA-CABCVRRESA-N 1 1 342.403 0.913 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041792426 782218700 /nfs/dbraw/zinc/21/87/00/782218700.db2.gz LOBBWSOUHDNPEN-GOSISDBHSA-N 1 1 342.399 0.117 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001041792426 782218703 /nfs/dbraw/zinc/21/87/03/782218703.db2.gz LOBBWSOUHDNPEN-GOSISDBHSA-N 1 1 342.399 0.117 20 30 ECEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000969151169 731526919 /nfs/dbraw/zinc/52/69/19/731526919.db2.gz RJSRDTOMJYXJDZ-ZIAGYGMSSA-N 1 1 329.466 0.615 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000969151187 731527015 /nfs/dbraw/zinc/52/70/15/731527015.db2.gz RRWDJNHZLBXTTQ-KGLIPLIRSA-N 1 1 327.450 0.062 20 30 ECEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000969151219 731527157 /nfs/dbraw/zinc/52/71/57/731527157.db2.gz UDRGVEAHHVRFES-KGLIPLIRSA-N 1 1 329.466 0.615 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069974824 790267741 /nfs/dbraw/zinc/26/77/41/790267741.db2.gz SVLMKARFLAAGNS-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069974824 790267744 /nfs/dbraw/zinc/26/77/44/790267744.db2.gz SVLMKARFLAAGNS-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC000969156502 731541351 /nfs/dbraw/zinc/54/13/51/731541351.db2.gz UQVZIGWTHONTSC-CYBMUJFWSA-N 1 1 334.424 0.314 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)NC)C3)C2)cn1 ZINC001041793329 782221634 /nfs/dbraw/zinc/22/16/34/782221634.db2.gz JLNMMHZOQVEKND-GOSISDBHSA-N 1 1 326.400 0.347 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cnns3)C2)C1=O ZINC000969349379 731745644 /nfs/dbraw/zinc/74/56/44/731745644.db2.gz QQHUJBWIRHHOHC-PWSUYJOCSA-N 1 1 335.433 0.375 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cnsn3)C2)C1=O ZINC000969346373 731746608 /nfs/dbraw/zinc/74/66/08/731746608.db2.gz PXFRBCWHVORVFT-GWCFXTLKSA-N 1 1 335.433 0.375 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973011240 738540523 /nfs/dbraw/zinc/54/05/23/738540523.db2.gz QGFPVQOPZDKYIM-AWEZNQCLSA-N 1 1 329.404 0.559 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973011240 738540526 /nfs/dbraw/zinc/54/05/26/738540526.db2.gz QGFPVQOPZDKYIM-AWEZNQCLSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001041809082 782246241 /nfs/dbraw/zinc/24/62/41/782246241.db2.gz UWNBOHUEFQLSGX-DFBGVHRSSA-N 1 1 347.394 0.364 20 30 ECEDMO C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001041809082 782246243 /nfs/dbraw/zinc/24/62/43/782246243.db2.gz UWNBOHUEFQLSGX-DFBGVHRSSA-N 1 1 347.394 0.364 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1COCCN1C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969516426 731936399 /nfs/dbraw/zinc/93/63/99/731936399.db2.gz BNZCELXOZJAWET-MLGOLLRUSA-N 1 1 348.472 0.887 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC000969569492 731975952 /nfs/dbraw/zinc/97/59/52/731975952.db2.gz QADTXWNVNNYNRJ-ZDUSSCGKSA-N 1 1 340.427 0.973 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3nccn3CC)C2)C1=O ZINC000969578173 731983835 /nfs/dbraw/zinc/98/38/35/731983835.db2.gz HSCUPIQTHUOAFA-ZFWWWQNUSA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(COC)on1 ZINC001114939094 732000169 /nfs/dbraw/zinc/00/01/69/732000169.db2.gz BKLGZDKBOQAUEC-PBOSXPJTSA-N 1 1 348.403 0.172 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(COC)on1 ZINC001114939094 732000171 /nfs/dbraw/zinc/00/01/71/732000171.db2.gz BKLGZDKBOQAUEC-PBOSXPJTSA-N 1 1 348.403 0.172 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccc(C)nn3)C2)C1=O ZINC000969655370 732026318 /nfs/dbraw/zinc/02/63/18/732026318.db2.gz WVVSXEUWDBMNJU-CJNGLKHVSA-N 1 1 343.431 0.622 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCN(C(=O)CC)C2)CC1 ZINC001098524475 732063318 /nfs/dbraw/zinc/06/33/18/732063318.db2.gz KUASLHBNJDLEHH-OAHLLOKOSA-N 1 1 335.448 0.163 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)CC1 ZINC001098525974 732446981 /nfs/dbraw/zinc/44/69/81/732446981.db2.gz BFTHSHFNJFMBHT-SFHVURJKSA-N 1 1 335.448 0.163 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cnc(C)nc2)C1 ZINC000969865497 732462100 /nfs/dbraw/zinc/46/21/00/732462100.db2.gz PKWYNJVICIUCRJ-KSSFIOAISA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cnc(C)nc2)C1 ZINC000969865497 732462102 /nfs/dbraw/zinc/46/21/02/732462102.db2.gz PKWYNJVICIUCRJ-KSSFIOAISA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nccn2C)C1 ZINC000969869266 732467522 /nfs/dbraw/zinc/46/75/22/732467522.db2.gz OGVOKYOLWXMGJS-HOCLYGCPSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nccn2C)C1 ZINC000969869266 732467525 /nfs/dbraw/zinc/46/75/25/732467525.db2.gz OGVOKYOLWXMGJS-HOCLYGCPSA-N 1 1 329.448 0.454 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC000969910157 732505883 /nfs/dbraw/zinc/50/58/83/732505883.db2.gz DQZNMVFBGGQVTO-GWCFXTLKSA-N 1 1 347.419 0.261 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)C(=O)N2CCC[C@H]2CC)CC1 ZINC001098526437 732523389 /nfs/dbraw/zinc/52/33/89/732523389.db2.gz JIWBRGWYRNRESY-MRXNPFEDSA-N 1 1 349.475 0.696 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccsn3)C2)C1=O ZINC000969934921 732533494 /nfs/dbraw/zinc/53/34/94/732533494.db2.gz ANNWXLULZLAFHM-SMDDNHRTSA-N 1 1 334.445 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ccnnc3C)C2)C1=O ZINC000970065425 732709558 /nfs/dbraw/zinc/70/95/58/732709558.db2.gz ZJZCKYFPBNKZHO-BLLLJJGKSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001041820989 782271748 /nfs/dbraw/zinc/27/17/48/782271748.db2.gz AYVMKHIFXGSUCO-KRWDZBQOSA-N 1 1 329.404 0.690 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC001041828868 782287197 /nfs/dbraw/zinc/28/71/97/782287197.db2.gz JLTRIJWYIDCTFN-GOSISDBHSA-N 1 1 338.415 0.615 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)C[N@@H+](C)C1CCC1 ZINC001125319614 732936999 /nfs/dbraw/zinc/93/69/99/732936999.db2.gz ATBZKKRZRMNOEA-CQSZACIVSA-N 1 1 346.435 0.088 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccc(C#N)nc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001125322195 733003672 /nfs/dbraw/zinc/00/36/72/733003672.db2.gz VQXDVVCZJTXCTQ-KRWDZBQOSA-N 1 1 345.447 0.693 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)C[C@H](C)N2CCCC2=O)CC1 ZINC001098530803 733027268 /nfs/dbraw/zinc/02/72/68/733027268.db2.gz OHEKHPXFSKJRNK-HNNXBMFYSA-N 1 1 337.464 0.859 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CNc2ccncc2C#N)C(C)(C)C)C1 ZINC001125828118 738669930 /nfs/dbraw/zinc/66/99/30/738669930.db2.gz MDQPUTXAHMRIEN-HOTGVXAUSA-N 1 1 345.447 0.649 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CNc2ccncc2C#N)C(C)(C)C)C1 ZINC001125828118 738669932 /nfs/dbraw/zinc/66/99/32/738669932.db2.gz MDQPUTXAHMRIEN-HOTGVXAUSA-N 1 1 345.447 0.649 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC001098532797 733052610 /nfs/dbraw/zinc/05/26/10/733052610.db2.gz FSBRERBMUUVTRW-AWEZNQCLSA-N 1 1 345.447 0.218 20 30 ECEDMO C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001098532797 733052614 /nfs/dbraw/zinc/05/26/14/733052614.db2.gz FSBRERBMUUVTRW-AWEZNQCLSA-N 1 1 345.447 0.218 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001098532797 733052620 /nfs/dbraw/zinc/05/26/20/733052620.db2.gz FSBRERBMUUVTRW-AWEZNQCLSA-N 1 1 345.447 0.218 20 30 ECEDMO C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001098532797 733052625 /nfs/dbraw/zinc/05/26/25/733052625.db2.gz FSBRERBMUUVTRW-AWEZNQCLSA-N 1 1 345.447 0.218 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001098532797 733052629 /nfs/dbraw/zinc/05/26/29/733052629.db2.gz FSBRERBMUUVTRW-AWEZNQCLSA-N 1 1 345.447 0.218 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CC1 ZINC001098532932 733054231 /nfs/dbraw/zinc/05/42/31/733054231.db2.gz KYJIRJUUUPWCHQ-AWEZNQCLSA-N 1 1 340.468 0.541 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)Oc2ccccn2)CC1 ZINC001098535104 733113196 /nfs/dbraw/zinc/11/31/96/733113196.db2.gz SADUODKMMJMONV-HNNXBMFYSA-N 1 1 331.416 0.767 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4ccnc4)c3)[C@H]2C1 ZINC001083278494 738684610 /nfs/dbraw/zinc/68/46/10/738684610.db2.gz AKYXJELTUXFPPI-JKSUJKDBSA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4ccnc4)c3)[C@H]2C1 ZINC001083278494 738684611 /nfs/dbraw/zinc/68/46/11/738684611.db2.gz AKYXJELTUXFPPI-JKSUJKDBSA-N 1 1 339.399 0.979 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2CCC)C1 ZINC000970241461 733245740 /nfs/dbraw/zinc/24/57/40/733245740.db2.gz KQVDIQXNEKPIQO-YCPHGPKFSA-N 1 1 348.451 0.755 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCCNC3=O)C2)cc1 ZINC000970254860 733261999 /nfs/dbraw/zinc/26/19/99/733261999.db2.gz DJZHQKXDSZYLFZ-SUMWQHHRSA-N 1 1 325.412 0.997 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970265321 733274768 /nfs/dbraw/zinc/27/47/68/733274768.db2.gz PBQKHQMEPGUFTF-DYVFJYSZSA-N 1 1 343.402 0.750 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC001041850915 782336400 /nfs/dbraw/zinc/33/64/00/782336400.db2.gz RHOVMSGGBIUUHS-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1nc(C)cc(C#N)n1 ZINC001104253088 733368003 /nfs/dbraw/zinc/36/80/03/733368003.db2.gz DUNYDMQNOHYBBL-CJNGLKHVSA-N 1 1 340.431 0.919 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1nc(C)cc(C#N)n1 ZINC001104253088 733368008 /nfs/dbraw/zinc/36/80/08/733368008.db2.gz DUNYDMQNOHYBBL-CJNGLKHVSA-N 1 1 340.431 0.919 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970354767 733404746 /nfs/dbraw/zinc/40/47/46/733404746.db2.gz SYWJAHJYQDEVIT-CZUORRHYSA-N 1 1 326.400 0.156 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNc2ncccc2C#N)CC1 ZINC001067471283 733460930 /nfs/dbraw/zinc/46/09/30/733460930.db2.gz ZHFAHQYAQLSNIW-HNNXBMFYSA-N 1 1 343.431 0.813 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](CC#CC)CCO)CC2)cn1 ZINC001098536881 733465629 /nfs/dbraw/zinc/46/56/29/733465629.db2.gz RUDCGIIMZONJIY-UHFFFAOYSA-N 1 1 325.412 0.985 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2O)C1 ZINC000970398674 733469769 /nfs/dbraw/zinc/46/97/69/733469769.db2.gz JNPKAXUUGBNLSN-CABCVRRESA-N 1 1 349.475 0.763 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCN(C)C3=O)C2)c1 ZINC000970402328 733473976 /nfs/dbraw/zinc/47/39/76/733473976.db2.gz XQIQOZMLQMMXQR-LRDDRELGSA-N 1 1 326.400 0.344 20 30 ECEDMO C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC000970420754 733493306 /nfs/dbraw/zinc/49/33/06/733493306.db2.gz RNMXDCWRUMHVTH-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001104270170 733537979 /nfs/dbraw/zinc/53/79/79/733537979.db2.gz PTUOMUFQZGDYPG-NJZAAPMLSA-N 1 1 346.435 0.540 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001104270170 733537983 /nfs/dbraw/zinc/53/79/83/733537983.db2.gz PTUOMUFQZGDYPG-NJZAAPMLSA-N 1 1 346.435 0.540 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000970446054 733543400 /nfs/dbraw/zinc/54/34/00/733543400.db2.gz UCUKQTYFNKVTAD-CYBMUJFWSA-N 1 1 342.403 0.779 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2ccc(C#C)nc2)CC1 ZINC001098537318 733580572 /nfs/dbraw/zinc/58/05/72/733580572.db2.gz YFWBGMADJYKSEK-UHFFFAOYSA-N 1 1 325.412 0.985 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083279224 738755484 /nfs/dbraw/zinc/75/54/84/738755484.db2.gz PZGAAEGEQVCARS-JKSUJKDBSA-N 1 1 345.399 0.262 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)COc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083279224 738755487 /nfs/dbraw/zinc/75/54/87/738755487.db2.gz PZGAAEGEQVCARS-JKSUJKDBSA-N 1 1 345.399 0.262 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C2(C(=O)NC)CCC2)CC1 ZINC001098540730 733862919 /nfs/dbraw/zinc/86/29/19/733862919.db2.gz XBPNBJMDSDHWDA-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970762889 733920287 /nfs/dbraw/zinc/92/02/87/733920287.db2.gz HNOVXIKIKYMKOP-PBHICJAKSA-N 1 1 325.412 0.753 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCCC3)C2)nc1 ZINC000970765015 733922625 /nfs/dbraw/zinc/92/26/25/733922625.db2.gz YQPIEVPCHJTUPP-AWEZNQCLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC000970765790 733923352 /nfs/dbraw/zinc/92/33/52/733923352.db2.gz FYQGOJBXIYWQFH-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO N#Cc1cnc(NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cn1 ZINC001111583825 733974516 /nfs/dbraw/zinc/97/45/16/733974516.db2.gz QQNGTRYROJWBKO-CHWSQXEVSA-N 1 1 341.375 0.108 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC001039244027 734110666 /nfs/dbraw/zinc/11/06/66/734110666.db2.gz ILBWBDFPTCUMHZ-MRXNPFEDSA-N 1 1 345.443 0.719 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)C3CCOCC3)C2)C1=O ZINC000970954304 734118552 /nfs/dbraw/zinc/11/85/52/734118552.db2.gz LNZLUQMIEZODFW-CVEARBPZSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)C3CCOCC3)C2)C1=O ZINC000970954305 734118703 /nfs/dbraw/zinc/11/87/03/734118703.db2.gz LNZLUQMIEZODFW-HOTGVXAUSA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001167422084 734210976 /nfs/dbraw/zinc/21/09/76/734210976.db2.gz IDEYSTQYGBDZQF-AWEZNQCLSA-N 1 1 345.447 0.214 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cccn3)C2)C1=O ZINC000971075155 734235781 /nfs/dbraw/zinc/23/57/81/734235781.db2.gz LWLIEDNWRDVQQL-HUUCEWRRSA-N 1 1 331.420 0.203 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 ZINC001104318593 734284103 /nfs/dbraw/zinc/28/41/03/734284103.db2.gz NDLMBYSTLGMVHH-CQSZACIVSA-N 1 1 332.408 0.010 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(c3nccnc3C#N)CCO2)C1 ZINC001104321676 734296758 /nfs/dbraw/zinc/29/67/58/734296758.db2.gz LPVIZVVJCKZAIN-KBPBESRZSA-N 1 1 344.419 0.011 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2cc(C)ncc2C#N)CCO1 ZINC001104323388 734303855 /nfs/dbraw/zinc/30/38/55/734303855.db2.gz PLKGGILAERJUKT-INIZCTEOSA-N 1 1 345.447 0.925 20 30 ECEDMO CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 ZINC001083214214 734387460 /nfs/dbraw/zinc/38/74/60/734387460.db2.gz OTGIYEXTZULENM-LSDHHAIUSA-N 1 1 331.420 0.832 20 30 ECEDMO CN1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)C1 ZINC000971272704 734415094 /nfs/dbraw/zinc/41/50/94/734415094.db2.gz YOEOLNJANZUDAI-ZWKOTPCHSA-N 1 1 342.443 0.922 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NS(C)(=O)=O ZINC001114943283 734466698 /nfs/dbraw/zinc/46/66/98/734466698.db2.gz WIOFJPNMYSERGX-ITGUQSILSA-N 1 1 329.466 0.327 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973142068 738820096 /nfs/dbraw/zinc/82/00/96/738820096.db2.gz SKAXVSSEWBXCDN-MRVWCRGKSA-N 1 1 329.404 0.748 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000971379888 734492731 /nfs/dbraw/zinc/49/27/31/734492731.db2.gz QGWFVKMSHVIONU-ZWKOTPCHSA-N 1 1 342.443 0.922 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3cncc(C#N)n3)CCO2)C1 ZINC001104349023 734518842 /nfs/dbraw/zinc/51/88/42/734518842.db2.gz BPNRPTYUSUOJHI-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCC4CC4)C[C@@H]32)nn1 ZINC001083217884 734565256 /nfs/dbraw/zinc/56/52/56/734565256.db2.gz RZNINIVMIJRHIT-JKSUJKDBSA-N 1 1 331.420 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC000973157911 738839388 /nfs/dbraw/zinc/83/93/88/738839388.db2.gz ILLLLOPRXKZRTD-QAETUUGQSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC000973157911 738839394 /nfs/dbraw/zinc/83/93/94/738839394.db2.gz ILLLLOPRXKZRTD-QAETUUGQSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CNC(=O)c2cccs2)CC1 ZINC001098555074 734879931 /nfs/dbraw/zinc/87/99/31/734879931.db2.gz DGWUBIAMVXDNGX-UHFFFAOYSA-N 1 1 349.456 0.396 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCN2CCCC2=O)C1 ZINC000971704035 734965602 /nfs/dbraw/zinc/96/56/02/734965602.db2.gz PXZYHVBYGLUKOF-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2nc3nccc(C)n3n2)CC1 ZINC001098555922 735005602 /nfs/dbraw/zinc/00/56/02/735005602.db2.gz VHUCYQDGGLHETK-UHFFFAOYSA-N 1 1 344.419 0.518 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000973188688 738877270 /nfs/dbraw/zinc/87/72/70/738877270.db2.gz CZKVBKBPJVSLQD-MRVWCRGKSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCC=C)C2 ZINC001111490269 735252031 /nfs/dbraw/zinc/25/20/31/735252031.db2.gz ZPIOVFZKOUHFES-JJXSEGSLSA-N 1 1 333.432 0.439 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCC=C)C2 ZINC001111490269 735252036 /nfs/dbraw/zinc/25/20/36/735252036.db2.gz ZPIOVFZKOUHFES-JJXSEGSLSA-N 1 1 333.432 0.439 20 30 ECEDMO CN1C[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)NC1=O ZINC000972084239 735624936 /nfs/dbraw/zinc/62/49/36/735624936.db2.gz BDKGLVTXZDIZIL-FZMZJTMJSA-N 1 1 347.444 0.676 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)[C@H]2C1 ZINC001083241410 735643140 /nfs/dbraw/zinc/64/31/40/735643140.db2.gz FDKZLXDMXLKGEX-OWCLPIDISA-N 1 1 335.448 0.733 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)CCC)CC1 ZINC001098563896 735661673 /nfs/dbraw/zinc/66/16/73/735661673.db2.gz CACFLMJQPPZTSL-UHFFFAOYSA-N 1 1 344.477 0.120 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC000972138508 735693024 /nfs/dbraw/zinc/69/30/24/735693024.db2.gz PIIXTUKRBVUHCB-AALSBFMBSA-N 1 1 333.432 0.198 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2cncc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069989239 790283670 /nfs/dbraw/zinc/28/36/70/790283670.db2.gz HWJNPXAMDPSVBI-CVEARBPZSA-N 1 1 326.404 0.752 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2cncc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069989239 790283673 /nfs/dbraw/zinc/28/36/73/790283673.db2.gz HWJNPXAMDPSVBI-CVEARBPZSA-N 1 1 326.404 0.752 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972207434 735785116 /nfs/dbraw/zinc/78/51/16/735785116.db2.gz NNQYAAHDFFKXER-ZFWWWQNUSA-N 1 1 345.378 0.411 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC001098566526 735828753 /nfs/dbraw/zinc/82/87/53/735828753.db2.gz ACKUCLXRQWFOIV-OAHLLOKOSA-N 1 1 344.477 0.425 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@H+](CCc1ccnn1C)CCO2 ZINC000972297972 735907746 /nfs/dbraw/zinc/90/77/46/735907746.db2.gz OWYOLFWTUIOJHM-RHSMWYFYSA-N 1 1 331.420 0.426 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@@H+](CCc1ccnn1C)CCO2 ZINC000972297972 735907748 /nfs/dbraw/zinc/90/77/48/735907748.db2.gz OWYOLFWTUIOJHM-RHSMWYFYSA-N 1 1 331.420 0.426 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)C[N@H+](CCc1ccnn1C)CCO2 ZINC000972297973 735907806 /nfs/dbraw/zinc/90/78/06/735907806.db2.gz OWYOLFWTUIOJHM-WMLDXEAASA-N 1 1 331.420 0.426 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)C[N@@H+](CCc1ccnn1C)CCO2 ZINC000972297973 735907807 /nfs/dbraw/zinc/90/78/07/735907807.db2.gz OWYOLFWTUIOJHM-WMLDXEAASA-N 1 1 331.420 0.426 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000972315988 735934448 /nfs/dbraw/zinc/93/44/48/735934448.db2.gz KNGHCCQPBGFGDF-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCCN(C)C3=O)[C@H]2C1 ZINC001083246996 735978115 /nfs/dbraw/zinc/97/81/15/735978115.db2.gz VVAOXWYUFSVBPI-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001078219453 782511205 /nfs/dbraw/zinc/51/12/05/782511205.db2.gz ALXKUHMEGOKDQW-ARFHVFGLSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001078216419 782508319 /nfs/dbraw/zinc/50/83/19/782508319.db2.gz MEFTXBDYXJWQGD-HUUCEWRRSA-N 1 1 332.400 0.810 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C)nn3)[C@H]2C1 ZINC001083250595 736083725 /nfs/dbraw/zinc/08/37/25/736083725.db2.gz AVVHQZSUFYTDKN-LSDHHAIUSA-N 1 1 331.420 0.644 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C)nn3)[C@H]2C1 ZINC001083250595 736083730 /nfs/dbraw/zinc/08/37/30/736083730.db2.gz AVVHQZSUFYTDKN-LSDHHAIUSA-N 1 1 331.420 0.644 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972408899 736140574 /nfs/dbraw/zinc/14/05/74/736140574.db2.gz QDTXJRKQBFHWCH-KDOFPFPSSA-N 1 1 349.431 0.403 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972408899 736140576 /nfs/dbraw/zinc/14/05/76/736140576.db2.gz QDTXJRKQBFHWCH-KDOFPFPSSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 ZINC000972411375 736145411 /nfs/dbraw/zinc/14/54/11/736145411.db2.gz ZGSABUPKSIBVHD-QAPCUYQASA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 ZINC000972411375 736145413 /nfs/dbraw/zinc/14/54/13/736145413.db2.gz ZGSABUPKSIBVHD-QAPCUYQASA-N 1 1 333.432 0.229 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)N2CCCCC2=O)CC1 ZINC001098571644 736187485 /nfs/dbraw/zinc/18/74/85/736187485.db2.gz TVJCVXNWBNUKQE-HNNXBMFYSA-N 1 1 337.464 0.859 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3n[nH]c4c3CCC4)C2)C1 ZINC000972447002 736218487 /nfs/dbraw/zinc/21/84/87/736218487.db2.gz OQPFDIONHFEDPY-GOSISDBHSA-N 1 1 328.416 0.839 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3n[nH]c4c3CCC4)C2)C1 ZINC000972447002 736218490 /nfs/dbraw/zinc/21/84/90/736218490.db2.gz OQPFDIONHFEDPY-GOSISDBHSA-N 1 1 328.416 0.839 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(C)c3)C2)C1 ZINC000972448956 736224903 /nfs/dbraw/zinc/22/49/03/736224903.db2.gz DQHJFYRJECSRIY-SFHVURJKSA-N 1 1 329.400 0.326 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(C)c3)C2)C1 ZINC000972448956 736224905 /nfs/dbraw/zinc/22/49/05/736224905.db2.gz DQHJFYRJECSRIY-SFHVURJKSA-N 1 1 329.400 0.326 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 ZINC000972449445 736228417 /nfs/dbraw/zinc/22/84/17/736228417.db2.gz KNIGTMMQLSAALC-GOSISDBHSA-N 1 1 344.415 0.606 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 ZINC000972449445 736228418 /nfs/dbraw/zinc/22/84/18/736228418.db2.gz KNIGTMMQLSAALC-GOSISDBHSA-N 1 1 344.415 0.606 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001078222841 782516535 /nfs/dbraw/zinc/51/65/35/782516535.db2.gz SEOBHJOLVDNPFI-ARFHVFGLSA-N 1 1 335.448 0.210 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 ZINC000972459556 736253835 /nfs/dbraw/zinc/25/38/35/736253835.db2.gz XDQWOHIKUMKEJR-QAPCUYQASA-N 1 1 335.448 0.925 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 ZINC000972459556 736253836 /nfs/dbraw/zinc/25/38/36/736253836.db2.gz XDQWOHIKUMKEJR-QAPCUYQASA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001022989716 736367806 /nfs/dbraw/zinc/36/78/06/736367806.db2.gz PTVMEXYCKCKKDT-BETUJISGSA-N 1 1 340.387 0.273 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3cn[nH]c3)C2)C1=O ZINC000972511354 736494106 /nfs/dbraw/zinc/49/41/06/736494106.db2.gz WCURYHAWSHFTAR-CVEARBPZSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972514883 736513729 /nfs/dbraw/zinc/51/37/29/736513729.db2.gz QQHYWFHBRSKWHG-ROUUACIJSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3nncn3C)C2)CC1 ZINC001023128330 736523481 /nfs/dbraw/zinc/52/34/81/736523481.db2.gz ZOHAXHZAYDKKMG-CWRNSKLLSA-N 1 1 344.463 0.458 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000972521551 736553659 /nfs/dbraw/zinc/55/36/59/736553659.db2.gz SJKLWHRBQPFGCU-AWEZNQCLSA-N 1 1 334.424 0.288 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC000972532266 736605584 /nfs/dbraw/zinc/60/55/84/736605584.db2.gz CPOIMGUGXPDDAK-VTWZXRTESA-N 1 1 340.811 0.260 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC000972532266 736605586 /nfs/dbraw/zinc/60/55/86/736605586.db2.gz CPOIMGUGXPDDAK-VTWZXRTESA-N 1 1 340.811 0.260 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C ZINC001104478645 736690732 /nfs/dbraw/zinc/69/07/32/736690732.db2.gz UTUBGILMHNOXMS-MRVWCRGKSA-N 1 1 348.451 0.492 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 ZINC000972553272 736712451 /nfs/dbraw/zinc/71/24/51/736712451.db2.gz DDSQBVGPEQPBEC-KRWDZBQOSA-N 1 1 333.436 0.627 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 ZINC000972553272 736712458 /nfs/dbraw/zinc/71/24/58/736712458.db2.gz DDSQBVGPEQPBEC-KRWDZBQOSA-N 1 1 333.436 0.627 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972556872 736747719 /nfs/dbraw/zinc/74/77/19/736747719.db2.gz JKDNZJCMQIGHJL-GOSISDBHSA-N 1 1 345.399 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972556872 736747722 /nfs/dbraw/zinc/74/77/22/736747722.db2.gz JKDNZJCMQIGHJL-GOSISDBHSA-N 1 1 345.399 0.736 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nc(C)no2)C1 ZINC001023423621 736806075 /nfs/dbraw/zinc/80/60/75/736806075.db2.gz BABSUNSMJRSARX-HOTGVXAUSA-N 1 1 345.447 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nc(C)no2)C1 ZINC001023423621 736806077 /nfs/dbraw/zinc/80/60/77/736806077.db2.gz BABSUNSMJRSARX-HOTGVXAUSA-N 1 1 345.447 0.804 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nccn2C)C1 ZINC001023424161 736807543 /nfs/dbraw/zinc/80/75/43/736807543.db2.gz QCECRUCEWFRTHI-IRXDYDNUSA-N 1 1 343.475 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nccn2C)C1 ZINC001023424161 736807548 /nfs/dbraw/zinc/80/75/48/736807548.db2.gz QCECRUCEWFRTHI-IRXDYDNUSA-N 1 1 343.475 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001023444635 736841961 /nfs/dbraw/zinc/84/19/61/736841961.db2.gz RNHUHFDCHVBKES-XQQFMLRXSA-N 1 1 334.338 0.794 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001023511223 736936960 /nfs/dbraw/zinc/93/69/60/736936960.db2.gz YPKXRQHRHLCXLZ-CQSZACIVSA-N 1 1 339.403 0.522 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001023510508 736941607 /nfs/dbraw/zinc/94/16/07/736941607.db2.gz MCOQYUSWOGLZNM-CQSZACIVSA-N 1 1 339.403 0.522 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001023529558 736962232 /nfs/dbraw/zinc/96/22/32/736962232.db2.gz GXBNFTNPOOIUQA-NWDGAFQWSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001023529558 736962235 /nfs/dbraw/zinc/96/22/35/736962235.db2.gz GXBNFTNPOOIUQA-NWDGAFQWSA-N 1 1 344.253 0.859 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](CCCO)CCO3)nn1 ZINC000972589427 736998390 /nfs/dbraw/zinc/99/83/90/736998390.db2.gz HJGYOBKCPWACBF-QGZVFWFLSA-N 1 1 349.435 0.154 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCCO)CCO3)nn1 ZINC000972589427 736998392 /nfs/dbraw/zinc/99/83/92/736998392.db2.gz HJGYOBKCPWACBF-QGZVFWFLSA-N 1 1 349.435 0.154 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001023588930 737042056 /nfs/dbraw/zinc/04/20/56/737042056.db2.gz OFSJPNAWYBQJGP-XHSDSOJGSA-N 1 1 335.448 0.474 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972607122 737085654 /nfs/dbraw/zinc/08/56/54/737085654.db2.gz NPQDJFCFTJWADE-INIZCTEOSA-N 1 1 339.403 0.668 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3ncccn3)C2)C1=O ZINC001023662503 737160249 /nfs/dbraw/zinc/16/02/49/737160249.db2.gz MRSSBGTTYGEDII-CABCVRRESA-N 1 1 343.431 0.705 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972629856 737161403 /nfs/dbraw/zinc/16/14/03/737161403.db2.gz DOHPOEXKKDTMET-QAPCUYQASA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972629856 737161405 /nfs/dbraw/zinc/16/14/05/737161405.db2.gz DOHPOEXKKDTMET-QAPCUYQASA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633471 737178689 /nfs/dbraw/zinc/17/86/89/737178689.db2.gz FDDWIBBJVATSFH-VQIMIIECSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633471 737178694 /nfs/dbraw/zinc/17/86/94/737178694.db2.gz FDDWIBBJVATSFH-VQIMIIECSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655152 737261163 /nfs/dbraw/zinc/26/11/63/737261163.db2.gz DMMVDDMICXIWKB-AEFFLSMTSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655152 737261166 /nfs/dbraw/zinc/26/11/66/737261166.db2.gz DMMVDDMICXIWKB-AEFFLSMTSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3oncc3C)C2)C1=O ZINC000972655847 737263639 /nfs/dbraw/zinc/26/36/39/737263639.db2.gz CORXAWPOPBZNJK-KGLIPLIRSA-N 1 1 332.404 0.916 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3oncc3C)C2)C1=O ZINC000972655849 737263723 /nfs/dbraw/zinc/26/37/23/737263723.db2.gz CORXAWPOPBZNJK-ZIAGYGMSSA-N 1 1 332.404 0.916 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CN(CC)CCO3)C2)C1 ZINC000972682068 737369698 /nfs/dbraw/zinc/36/96/98/737369698.db2.gz CHROSGKDMRMGEL-AEFFLSMTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CN(CC)CCO3)C2)C1 ZINC000972682068 737369703 /nfs/dbraw/zinc/36/97/03/737369703.db2.gz CHROSGKDMRMGEL-AEFFLSMTSA-N 1 1 335.448 0.034 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000972685445 737377237 /nfs/dbraw/zinc/37/72/37/737377237.db2.gz WOJVKEFFPIHFAC-NSHDSACASA-N 1 1 328.800 0.214 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000972685445 737377240 /nfs/dbraw/zinc/37/72/40/737377240.db2.gz WOJVKEFFPIHFAC-NSHDSACASA-N 1 1 328.800 0.214 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972688111 737380672 /nfs/dbraw/zinc/38/06/72/737380672.db2.gz MGEAJKGCITZEBW-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972688111 737380677 /nfs/dbraw/zinc/38/06/77/737380677.db2.gz MGEAJKGCITZEBW-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nn(CC)nc3C)C2)C1 ZINC000972701553 737471648 /nfs/dbraw/zinc/47/16/48/737471648.db2.gz CSTRNJGIVQGYLG-QGZVFWFLSA-N 1 1 331.420 0.547 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3nn(CC)nc3C)C2)C1 ZINC000972701553 737471649 /nfs/dbraw/zinc/47/16/49/737471649.db2.gz CSTRNJGIVQGYLG-QGZVFWFLSA-N 1 1 331.420 0.547 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001023990856 737586614 /nfs/dbraw/zinc/58/66/14/737586614.db2.gz IAKKOVFXZWQMEW-KFWWJZLASA-N 1 1 348.451 0.520 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H](CC)C(N)=O)C1 ZINC000972757866 737598972 /nfs/dbraw/zinc/59/89/72/737598972.db2.gz WUNNMNIQJUSPFW-HIFRSBDPSA-N 1 1 344.415 0.504 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001024088490 737687806 /nfs/dbraw/zinc/68/78/06/737687806.db2.gz DWYFJOLTBWFEQD-KGLIPLIRSA-N 1 1 346.435 0.342 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3ccn[nH]3)C(C)(C)C2)C1=O ZINC000972825437 737752652 /nfs/dbraw/zinc/75/26/52/737752652.db2.gz OPFCTVMOJCCLBX-KGLIPLIRSA-N 1 1 331.420 0.637 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3ccn[nH]3)C(C)(C)C2)C1=O ZINC000972825437 737752655 /nfs/dbraw/zinc/75/26/55/737752655.db2.gz OPFCTVMOJCCLBX-KGLIPLIRSA-N 1 1 331.420 0.637 20 30 ECEDMO CS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001125782632 737756699 /nfs/dbraw/zinc/75/66/99/737756699.db2.gz HBLNGYYZSIHAAM-UHFFFAOYSA-N 1 1 336.373 0.402 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC[NH2+]Cc1csnn1 ZINC001167685889 737759704 /nfs/dbraw/zinc/75/97/04/737759704.db2.gz ZERUNXMQURXIPV-CYBMUJFWSA-N 1 1 325.438 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC000972842932 737764364 /nfs/dbraw/zinc/76/43/64/737764364.db2.gz YSAXTNRDHZXPOR-IXDOHACOSA-N 1 1 340.427 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC000972842932 737764369 /nfs/dbraw/zinc/76/43/69/737764369.db2.gz YSAXTNRDHZXPOR-IXDOHACOSA-N 1 1 340.427 0.785 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cn[nH]c2)C1=O ZINC001024341922 737909575 /nfs/dbraw/zinc/90/95/75/737909575.db2.gz NJLSNKJPDWBKDW-CABCVRRESA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cn[nH]c2)C1=O ZINC001024341922 737909579 /nfs/dbraw/zinc/90/95/79/737909579.db2.gz NJLSNKJPDWBKDW-CABCVRRESA-N 1 1 331.420 0.781 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001024503760 738035200 /nfs/dbraw/zinc/03/52/00/738035200.db2.gz JYACODCGZHTYDH-QLFBSQMISA-N 1 1 337.464 0.761 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001024515137 738048779 /nfs/dbraw/zinc/04/87/79/738048779.db2.gz MHVVIXLXGOUUCO-UONOGXRCSA-N 1 1 331.420 0.540 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]2CCC[N@@H+](CC(N)=O)[C@@H]21 ZINC001087280658 738082416 /nfs/dbraw/zinc/08/24/16/738082416.db2.gz SFCVKCNVHVQWLR-DFBGVHRSSA-N 1 1 329.404 0.590 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCOCC3=O)C(C)(C)[C@H]21 ZINC001087289854 738127267 /nfs/dbraw/zinc/12/72/67/738127267.db2.gz SUKUOVNGPXXGJH-XYPHTWIQSA-N 1 1 335.448 0.636 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001024581176 738127981 /nfs/dbraw/zinc/12/79/81/738127981.db2.gz DNHXPWQBSDTKLG-ZDUSSCGKSA-N 1 1 342.407 0.301 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001024581176 738127986 /nfs/dbraw/zinc/12/79/86/738127986.db2.gz DNHXPWQBSDTKLG-ZDUSSCGKSA-N 1 1 342.407 0.301 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cccc3nnn(C)c32)CC1 ZINC001098589488 738155686 /nfs/dbraw/zinc/15/56/86/738155686.db2.gz WWRBYKNSFLRPML-UHFFFAOYSA-N 1 1 341.415 0.500 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C(N)=O)C(C)(C)[C@H]21 ZINC001087301131 738167194 /nfs/dbraw/zinc/16/71/94/738167194.db2.gz XEMYVLDCTQKYQS-MXWKQRLJSA-N 1 1 344.253 0.986 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C(N)=O)C(C)(C)[C@H]21 ZINC001087301131 738167195 /nfs/dbraw/zinc/16/71/95/738167195.db2.gz XEMYVLDCTQKYQS-MXWKQRLJSA-N 1 1 344.253 0.986 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCn2cccn2)nn1 ZINC001024699120 738229260 /nfs/dbraw/zinc/22/92/60/738229260.db2.gz OESAWDCOMISNFY-HNNXBMFYSA-N 1 1 343.435 0.945 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001024706789 738234251 /nfs/dbraw/zinc/23/42/51/738234251.db2.gz GHDTVSGMUSHBGM-IXDOHACOSA-N 1 1 330.432 0.892 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001024706789 738234254 /nfs/dbraw/zinc/23/42/54/738234254.db2.gz GHDTVSGMUSHBGM-IXDOHACOSA-N 1 1 330.432 0.892 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C(C)(C)[C@@H]21 ZINC001087309405 738238719 /nfs/dbraw/zinc/23/87/19/738238719.db2.gz GPAJIEGOWJXHAR-DAXOMENPSA-N 1 1 331.416 0.278 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001024731521 738254931 /nfs/dbraw/zinc/25/49/31/738254931.db2.gz JVZZKLPVAZMSKM-HZPDHXFCSA-N 1 1 345.447 0.922 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N2CCC2)nc1 ZINC001024764114 738276261 /nfs/dbraw/zinc/27/62/61/738276261.db2.gz MZSRLURYAGOGMM-INIZCTEOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N2CCC2)nc1 ZINC001024764114 738276263 /nfs/dbraw/zinc/27/62/63/738276263.db2.gz MZSRLURYAGOGMM-INIZCTEOSA-N 1 1 340.427 0.880 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3[nH]c(C)nc3C)CC2)C1=O ZINC000981978021 751397875 /nfs/dbraw/zinc/39/78/75/751397875.db2.gz RSGSYUONAAUHCN-OAHLLOKOSA-N 1 1 345.447 0.961 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3[nH]c(C)nc3C)CC2)C1=O ZINC000981978021 751397882 /nfs/dbraw/zinc/39/78/82/751397882.db2.gz RSGSYUONAAUHCN-OAHLLOKOSA-N 1 1 345.447 0.961 20 30 ECEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001024786306 738293546 /nfs/dbraw/zinc/29/35/46/738293546.db2.gz FKNHXPVDTCUIOI-AWEZNQCLSA-N 1 1 326.404 0.959 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001024786306 738293548 /nfs/dbraw/zinc/29/35/48/738293548.db2.gz FKNHXPVDTCUIOI-AWEZNQCLSA-N 1 1 326.404 0.959 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)[C@H]2C1 ZINC001083273492 738368227 /nfs/dbraw/zinc/36/82/27/738368227.db2.gz UCZMBWBXOVMARU-JKSUJKDBSA-N 1 1 346.431 0.829 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025258144 738943926 /nfs/dbraw/zinc/94/39/26/738943926.db2.gz JCMQBZAARCAMBY-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025259476 738944737 /nfs/dbraw/zinc/94/47/37/738944737.db2.gz PSRZAIFUCCJDIW-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001025276638 738997255 /nfs/dbraw/zinc/99/72/55/738997255.db2.gz JWBPOCDFQNASGG-JKSUJKDBSA-N 1 1 345.443 0.908 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025276799 738997289 /nfs/dbraw/zinc/99/72/89/738997289.db2.gz KZULEWVLWDUJHP-KBPBESRZSA-N 1 1 332.404 0.017 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025282165 739004854 /nfs/dbraw/zinc/00/48/54/739004854.db2.gz ZUWAILJVYBAKAJ-LSDHHAIUSA-N 1 1 346.431 0.407 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001025287262 739006485 /nfs/dbraw/zinc/00/64/85/739006485.db2.gz CJCDSVJUEPHPLH-LSDHHAIUSA-N 1 1 348.447 0.912 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1nc(C)n(C)c1=O ZINC001025294756 739014555 /nfs/dbraw/zinc/01/45/55/739014555.db2.gz CINMNQHJEDJQJJ-HZPDHXFCSA-N 1 1 347.463 0.922 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001111999491 739079904 /nfs/dbraw/zinc/07/99/04/739079904.db2.gz LPWLRISFZAKWHP-ZFWWWQNUSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000973410810 739224091 /nfs/dbraw/zinc/22/40/91/739224091.db2.gz RCCMKAOAOLGALY-SUJAAXHWSA-N 1 1 333.432 0.272 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000973410810 739224093 /nfs/dbraw/zinc/22/40/93/739224093.db2.gz RCCMKAOAOLGALY-SUJAAXHWSA-N 1 1 333.432 0.272 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](CC)C(N)=O)nn1 ZINC001028192983 751433122 /nfs/dbraw/zinc/43/31/22/751433122.db2.gz SRSNXWGOEWLEJV-TZMCWYRMSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](CC)C(N)=O)nn1 ZINC001028192983 751433125 /nfs/dbraw/zinc/43/31/25/751433125.db2.gz SRSNXWGOEWLEJV-TZMCWYRMSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCCNC2=O)nn1 ZINC001028193027 751433157 /nfs/dbraw/zinc/43/31/57/751433157.db2.gz UUFAGTVXEOVVGE-HIFRSBDPSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCCNC2=O)nn1 ZINC001028193027 751433161 /nfs/dbraw/zinc/43/31/61/751433161.db2.gz UUFAGTVXEOVVGE-HIFRSBDPSA-N 1 1 346.435 0.327 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000973466930 739336769 /nfs/dbraw/zinc/33/67/69/739336769.db2.gz OYIFLAPIYSISKB-JYJNAYRXSA-N 1 1 340.427 0.782 20 30 ECEDMO CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001041977663 782531723 /nfs/dbraw/zinc/53/17/23/782531723.db2.gz DZBCVKLCUVDHSP-VNHYZAJKSA-N 1 1 342.447 0.803 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CCN(c2ccc(C#N)nn2)CC3)C1 ZINC001058636947 739557208 /nfs/dbraw/zinc/55/72/08/739557208.db2.gz YFKSRFBZQRKSDH-UKRRQHHQSA-N 1 1 340.431 0.775 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000988017076 751460141 /nfs/dbraw/zinc/46/01/41/751460141.db2.gz UTGIDCSMCVQUBK-UKRRQHHQSA-N 1 1 343.431 0.759 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2O)CC1 ZINC001025490574 739656923 /nfs/dbraw/zinc/65/69/23/739656923.db2.gz DTLUCXKNZGWVNQ-BRWVUGGUSA-N 1 1 349.475 0.905 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccnc3c2nnn3C)C1 ZINC001025517933 739683940 /nfs/dbraw/zinc/68/39/40/739683940.db2.gz CKTSNNVQKSXVKM-CHWSQXEVSA-N 1 1 326.404 0.827 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)nc1 ZINC001006513836 751471269 /nfs/dbraw/zinc/47/12/69/751471269.db2.gz ACTWKJNQLUYLCN-SUMWQHHRSA-N 1 1 340.427 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@H]2O)C1 ZINC001025545623 739706533 /nfs/dbraw/zinc/70/65/33/739706533.db2.gz JANPDONFNBQVKE-OWCLPIDISA-N 1 1 349.475 0.905 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)n1 ZINC001059852853 751474397 /nfs/dbraw/zinc/47/43/97/751474397.db2.gz DQDHKDPNFBERTD-LXTVHRRPSA-N 1 1 340.431 0.846 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nc1 ZINC001025597685 739759677 /nfs/dbraw/zinc/75/96/77/739759677.db2.gz RYPAIUJMUKDOOI-ZBFHGGJFSA-N 1 1 342.443 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001025605650 739770396 /nfs/dbraw/zinc/77/03/96/739770396.db2.gz KBTYECZKDPPIJW-UONOGXRCSA-N 1 1 328.416 0.905 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025613861 739776183 /nfs/dbraw/zinc/77/61/83/739776183.db2.gz CCAOKHDIUBUSAI-OLZOCXBDSA-N 1 1 329.404 0.429 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001025618258 739780857 /nfs/dbraw/zinc/78/08/57/739780857.db2.gz KFTDYDNAZKJTOS-CHWSQXEVSA-N 1 1 332.404 0.340 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCCN(CC(N)=O)C2)CC1 ZINC001025630006 739795828 /nfs/dbraw/zinc/79/58/28/739795828.db2.gz NZDIYZXYKXGXJL-ZBFHGGJFSA-N 1 1 334.464 0.034 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001006527058 751482700 /nfs/dbraw/zinc/48/27/00/751482700.db2.gz BDFVCGWIFWVYPG-DYVFJYSZSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)COC)C[C@H]1C(F)(F)F ZINC001112029219 739848602 /nfs/dbraw/zinc/84/86/02/739848602.db2.gz WCCQQRVVZFANCU-HBNTYKKESA-N 1 1 337.342 0.302 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025790789 739953862 /nfs/dbraw/zinc/95/38/62/739953862.db2.gz PUHRBOQRHYIRKP-JHMPBIJASA-N 1 1 347.459 0.635 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025791184 739954489 /nfs/dbraw/zinc/95/44/89/739954489.db2.gz CGYIUZODNZDZAV-XDKXFUCDSA-N 1 1 347.459 0.635 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1=O ZINC001026060807 740350022 /nfs/dbraw/zinc/35/00/22/740350022.db2.gz YOIXQEHYNPKMFO-XGWMIORXSA-N 1 1 345.443 0.387 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCCO)nn1 ZINC001087392719 740423192 /nfs/dbraw/zinc/42/31/92/740423192.db2.gz KTUIDXLPBLLDTE-HWMZRRJGSA-N 1 1 345.447 0.629 20 30 ECEDMO CN(C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccc(C#N)nn1 ZINC001058690647 740480501 /nfs/dbraw/zinc/48/05/01/740480501.db2.gz PVUVFFZWQLVWIW-LSDHHAIUSA-N 1 1 342.447 0.975 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059856432 751549862 /nfs/dbraw/zinc/54/98/62/751549862.db2.gz QIAPWZZYVXQRKR-BRWVUGGUSA-N 1 1 349.475 0.720 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059856432 751549868 /nfs/dbraw/zinc/54/98/68/751549868.db2.gz QIAPWZZYVXQRKR-BRWVUGGUSA-N 1 1 349.475 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)no2)C1 ZINC000973875195 740521430 /nfs/dbraw/zinc/52/14/30/740521430.db2.gz JCLHVYYUIGGFNZ-MJBXVCDLSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C)no2)C1 ZINC000973875195 740521435 /nfs/dbraw/zinc/52/14/35/740521435.db2.gz JCLHVYYUIGGFNZ-MJBXVCDLSA-N 1 1 330.388 0.458 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cnn3ccncc23)CC1 ZINC000329271962 740650747 /nfs/dbraw/zinc/65/07/47/740650747.db2.gz IHQDGAXYSGPPGU-UHFFFAOYSA-N 1 1 330.392 0.587 20 30 ECEDMO CN(CCCN(C)c1ccncc1C#N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001112055698 740667954 /nfs/dbraw/zinc/66/79/54/740667954.db2.gz SZSIXXVMQIAULN-INIZCTEOSA-N 1 1 331.420 0.569 20 30 ECEDMO CN(CCCN(C)c1ccncc1C#N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001112055698 740667957 /nfs/dbraw/zinc/66/79/57/740667957.db2.gz SZSIXXVMQIAULN-INIZCTEOSA-N 1 1 331.420 0.569 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000974004980 740762232 /nfs/dbraw/zinc/76/22/32/740762232.db2.gz SKAXVSSEWBXCDN-FPMFFAJLSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nccn2CC)C1 ZINC000974080665 740904149 /nfs/dbraw/zinc/90/41/49/740904149.db2.gz XESGKHPKOBPTAU-ZNMIVQPWSA-N 1 1 343.431 0.378 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nccn2CC)C1 ZINC000974080665 740904151 /nfs/dbraw/zinc/90/41/51/740904151.db2.gz XESGKHPKOBPTAU-ZNMIVQPWSA-N 1 1 343.431 0.378 20 30 ECEDMO CC(C)C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104926292 740954814 /nfs/dbraw/zinc/95/48/14/740954814.db2.gz OABUQGYCJYCSLT-ZFWWWQNUSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104926292 740954816 /nfs/dbraw/zinc/95/48/16/740954816.db2.gz OABUQGYCJYCSLT-ZFWWWQNUSA-N 1 1 346.435 0.622 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)Cn3nc4n(c3=O)CCCC4)C2)C1 ZINC000982103816 751593523 /nfs/dbraw/zinc/59/35/23/751593523.db2.gz ANOWZTHLACMRGC-UHFFFAOYSA-N 1 1 345.447 0.492 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC000982106854 751597101 /nfs/dbraw/zinc/59/71/01/751597101.db2.gz AIEAYLXDENFPIK-CQSZACIVSA-N 1 1 329.404 0.411 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000974148133 741007605 /nfs/dbraw/zinc/00/76/05/741007605.db2.gz PXTPDBRFUKUARY-BMFZPTHFSA-N 1 1 326.400 0.392 20 30 ECEDMO CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001104950597 741018544 /nfs/dbraw/zinc/01/85/44/741018544.db2.gz WZDOEYYQMBDBRV-KGLIPLIRSA-N 1 1 330.436 0.665 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000974150184 741019141 /nfs/dbraw/zinc/01/91/41/741019141.db2.gz OSUGUPDASXVYAF-MELADBBJSA-N 1 1 346.435 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nc(C(C)C)no1 ZINC001038367916 741163127 /nfs/dbraw/zinc/16/31/27/741163127.db2.gz NTIFWHJIQDPHQX-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nc(C(C)C)no1 ZINC001038367916 741163132 /nfs/dbraw/zinc/16/31/32/741163132.db2.gz NTIFWHJIQDPHQX-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@H](CC)C(N)=O)C3)nc1 ZINC000982122745 751617690 /nfs/dbraw/zinc/61/76/90/751617690.db2.gz PIYYRUKHMUEZEY-MRXNPFEDSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1ncnn1CCF ZINC001038369013 741257030 /nfs/dbraw/zinc/25/70/30/741257030.db2.gz SOWQIOYHJUXGDN-GJZGRUSLSA-N 1 1 348.426 0.036 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1ncnn1CCF ZINC001038369013 741257034 /nfs/dbraw/zinc/25/70/34/741257034.db2.gz SOWQIOYHJUXGDN-GJZGRUSLSA-N 1 1 348.426 0.036 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000974324335 741315046 /nfs/dbraw/zinc/31/50/46/741315046.db2.gz PNDGSNYCGJGKSI-LJIZCISZSA-N 1 1 335.448 0.683 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1C(F)(F)F ZINC001112080928 741383412 /nfs/dbraw/zinc/38/34/12/741383412.db2.gz YEVVWOTXAXLRBV-VXGBXAGGSA-N 1 1 344.337 0.715 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC000982139530 751633299 /nfs/dbraw/zinc/63/32/99/751633299.db2.gz WLQCFGKRMPFVBF-UHFFFAOYSA-N 1 1 348.447 0.817 20 30 ECEDMO CC(C)C#CC(=O)N1CC(n2cc(C[NH2+]CCOCC3CC3)nn2)C1 ZINC001105233077 741519302 /nfs/dbraw/zinc/51/93/02/741519302.db2.gz GZGVJFJFBNXFJE-UHFFFAOYSA-N 1 1 345.447 0.837 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OC)ns3)C2)nn1 ZINC001105242842 741543425 /nfs/dbraw/zinc/54/34/25/741543425.db2.gz LMOXVTXZFHAWOI-UHFFFAOYSA-N 1 1 334.405 0.716 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006670426 751648527 /nfs/dbraw/zinc/64/85/27/751648527.db2.gz DCAGLNUAMCMOLU-YOEHRIQHSA-N 1 1 347.459 0.472 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC001006670426 751648534 /nfs/dbraw/zinc/64/85/34/751648534.db2.gz DCAGLNUAMCMOLU-YOEHRIQHSA-N 1 1 347.459 0.472 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C3(COC)CCOCC3)C2)nn1 ZINC001105256747 741571841 /nfs/dbraw/zinc/57/18/41/741571841.db2.gz QKLHUKSRCIASDY-UHFFFAOYSA-N 1 1 349.435 0.380 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3c(C)ncn3C)C2)nn1 ZINC001105264591 741595181 /nfs/dbraw/zinc/59/51/81/741595181.db2.gz MFPPIEOVUXADCE-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H](CNc1ccnc(C#N)n1)C(C)(C)C ZINC001125934808 741638698 /nfs/dbraw/zinc/63/86/98/741638698.db2.gz XBSKFDTVILYWMA-ZDUSSCGKSA-N 1 1 341.419 0.918 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1ccncc1C#N ZINC001105302243 741690001 /nfs/dbraw/zinc/69/00/01/741690001.db2.gz HFVROJDTZCANKM-XOKHGSTOSA-N 1 1 345.447 0.647 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1ccncc1C#N ZINC001105302243 741690006 /nfs/dbraw/zinc/69/00/06/741690006.db2.gz HFVROJDTZCANKM-XOKHGSTOSA-N 1 1 345.447 0.647 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC000982157205 751664314 /nfs/dbraw/zinc/66/43/14/751664314.db2.gz HVKGBDJGJSWKGW-INIZCTEOSA-N 1 1 333.432 0.181 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974472444 741778243 /nfs/dbraw/zinc/77/82/43/741778243.db2.gz MSIXTPYDAMSMLF-KGLIPLIRSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974472444 741778246 /nfs/dbraw/zinc/77/82/46/741778246.db2.gz MSIXTPYDAMSMLF-KGLIPLIRSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974473201 741779106 /nfs/dbraw/zinc/77/91/06/741779106.db2.gz SKSYDXCHBVHJLY-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cc(C)on3)C2)nn1 ZINC001105325669 741802613 /nfs/dbraw/zinc/80/26/13/741802613.db2.gz WBJKMBLDLKQGPT-UHFFFAOYSA-N 1 1 330.392 0.866 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC000982176485 751676009 /nfs/dbraw/zinc/67/60/09/751676009.db2.gz IUWRWLFEPXGIRA-CQSZACIVSA-N 1 1 333.432 0.930 20 30 ECEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974577914 741910548 /nfs/dbraw/zinc/91/05/48/741910548.db2.gz ANPYLGJGIUDZLJ-MRXNPFEDSA-N 1 1 338.415 0.551 20 30 ECEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974577914 741910549 /nfs/dbraw/zinc/91/05/49/741910549.db2.gz ANPYLGJGIUDZLJ-MRXNPFEDSA-N 1 1 338.415 0.551 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000974661360 741968340 /nfs/dbraw/zinc/96/83/40/741968340.db2.gz XROTZPFJCWMEPV-CQSZACIVSA-N 1 1 343.493 0.815 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000974724301 742111462 /nfs/dbraw/zinc/11/14/62/742111462.db2.gz WZLBZANMMMEACV-OAGGEKHMSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000974724301 742111465 /nfs/dbraw/zinc/11/14/65/742111465.db2.gz WZLBZANMMMEACV-OAGGEKHMSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cnc3sccn3c2=O)C(C)(C)C1 ZINC000974813378 742206817 /nfs/dbraw/zinc/20/68/17/742206817.db2.gz QUJORTPWWIYYDJ-LBPRGKRZSA-N 1 1 330.413 0.829 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000974871194 742285105 /nfs/dbraw/zinc/28/51/05/742285105.db2.gz KEQBTAXHQZYIRP-CHWSQXEVSA-N 1 1 329.391 0.412 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cn3ccc(C)cc3=O)C2)nn1 ZINC001105337049 742419348 /nfs/dbraw/zinc/41/93/48/742419348.db2.gz QMEODUHFRWQENW-UHFFFAOYSA-N 1 1 342.403 0.107 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)nn1 ZINC001105337006 742440268 /nfs/dbraw/zinc/44/02/68/742440268.db2.gz PEYHJYDZBXKDJO-KRWDZBQOSA-N 1 1 344.463 0.647 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@H](C(N)=O)C3)C2)nn1 ZINC001105337151 742441191 /nfs/dbraw/zinc/44/11/91/742441191.db2.gz UBNCNMYQIRTFCZ-STQMWFEESA-N 1 1 346.435 0.229 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1c(F)cccc1Cl ZINC001125978836 742487591 /nfs/dbraw/zinc/48/75/91/742487591.db2.gz ZSXOEKNVVYVKGH-UHFFFAOYSA-N 1 1 325.771 0.824 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C(C)(C)C1 ZINC000975112751 742510852 /nfs/dbraw/zinc/51/08/52/742510852.db2.gz KRMBVYFSLBKZRH-CQSZACIVSA-N 1 1 344.419 0.294 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975168792 742558447 /nfs/dbraw/zinc/55/84/47/742558447.db2.gz BKRHXRHPVPZAIK-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975168792 742558454 /nfs/dbraw/zinc/55/84/54/742558454.db2.gz BKRHXRHPVPZAIK-CVEARBPZSA-N 1 1 333.432 0.085 20 30 ECEDMO Cc1nc(N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)ccc1C#N ZINC001058927018 751767516 /nfs/dbraw/zinc/76/75/16/751767516.db2.gz XYLLJADMDPQANN-INIZCTEOSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCN1CC[NH+](C2CCC(NC(=O)Cc3nnc[nH]3)CC2)CC1 ZINC000996796159 742879457 /nfs/dbraw/zinc/87/94/57/742879457.db2.gz UITKFLLAMRRNMX-UHFFFAOYSA-N 1 1 332.452 0.578 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001028936143 742917693 /nfs/dbraw/zinc/91/76/93/742917693.db2.gz PUAPKMKZOAXRFM-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001028939989 742936776 /nfs/dbraw/zinc/93/67/76/742936776.db2.gz WCTVXNJLDRVLRV-CQSZACIVSA-N 1 1 326.400 0.347 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)c3[nH]nnc3C)CC2)C1=O ZINC000996869285 742971156 /nfs/dbraw/zinc/97/11/56/742971156.db2.gz DNPVYXIXHPIVHC-ZDUSSCGKSA-N 1 1 332.408 0.094 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001028969456 743022320 /nfs/dbraw/zinc/02/23/20/743022320.db2.gz NWRBQJIOSYAKMG-UKRRQHHQSA-N 1 1 344.415 0.626 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C(C)C)C2)c1 ZINC001020567506 751802102 /nfs/dbraw/zinc/80/21/02/751802102.db2.gz FOIRLIIJRADYAL-SHTZXODSSA-N 1 1 339.403 0.681 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc1 ZINC000997091545 743222241 /nfs/dbraw/zinc/22/22/41/743222241.db2.gz AZTLQAZUBRACLZ-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CNCc3nonc3C)C2)CC1 ZINC001027233805 743245373 /nfs/dbraw/zinc/24/53/73/743245373.db2.gz KLHHPDUOHFAYHS-HNNXBMFYSA-N 1 1 345.447 0.661 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CCN(CC#N)CC1 ZINC000997228444 743375486 /nfs/dbraw/zinc/37/54/86/743375486.db2.gz KIOIBMAMUBBQQL-GEMJLEDKSA-N 1 1 332.448 0.590 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)COC)nn2)C1 ZINC001105380983 743439637 /nfs/dbraw/zinc/43/96/37/743439637.db2.gz KSLJTCGCJXOEPQ-OLZOCXBDSA-N 1 1 337.424 0.377 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCF)C[C@H]1C(F)(F)F ZINC001112146999 743510693 /nfs/dbraw/zinc/51/06/93/743510693.db2.gz ZQKZDPMKVNYUSO-NXEZZACHSA-N 1 1 338.305 0.355 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC(NCc3cnn(C)n3)CC2)CC1 ZINC000997364896 743535977 /nfs/dbraw/zinc/53/59/77/743535977.db2.gz ONDISJYPWHKADA-UHFFFAOYSA-N 1 1 344.463 0.241 20 30 ECEDMO Cc1nc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001059170777 743542801 /nfs/dbraw/zinc/54/28/01/743542801.db2.gz QSTVBNCJGLSOCJ-RBSFLKMASA-N 1 1 329.404 0.651 20 30 ECEDMO Cc1nc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001059170777 743542806 /nfs/dbraw/zinc/54/28/06/743542806.db2.gz QSTVBNCJGLSOCJ-RBSFLKMASA-N 1 1 329.404 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ncnc3nc[nH]c32)C1 ZINC001059868073 751837503 /nfs/dbraw/zinc/83/75/03/751837503.db2.gz FXSSAGPVZOEJAE-XQQFMLRXSA-N 1 1 339.403 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ncnc3nc[nH]c32)C1 ZINC001059868073 751837508 /nfs/dbraw/zinc/83/75/08/751837508.db2.gz FXSSAGPVZOEJAE-XQQFMLRXSA-N 1 1 339.403 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1C ZINC000976129589 743586013 /nfs/dbraw/zinc/58/60/13/743586013.db2.gz SGLYCNNUZBLYTJ-VVLHAWIVSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1C ZINC000976129589 743586020 /nfs/dbraw/zinc/58/60/20/743586020.db2.gz SGLYCNNUZBLYTJ-VVLHAWIVSA-N 1 1 341.411 0.872 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(C[NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC000997624529 743716916 /nfs/dbraw/zinc/71/69/16/743716916.db2.gz QLKITGYFIZRPRL-LBPRGKRZSA-N 1 1 333.440 0.916 20 30 ECEDMO Cn1nnc(C[NH2+]CC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC000997690421 743755532 /nfs/dbraw/zinc/75/55/32/743755532.db2.gz RBZVRQUZACZPFY-UHFFFAOYSA-N 1 1 328.380 0.052 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001059872592 751870185 /nfs/dbraw/zinc/87/01/85/751870185.db2.gz BTFWYTQNHWJTIA-RUZUBIRVSA-N 1 1 330.392 0.126 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)O1 ZINC001059872592 751870192 /nfs/dbraw/zinc/87/01/92/751870192.db2.gz BTFWYTQNHWJTIA-RUZUBIRVSA-N 1 1 330.392 0.126 20 30 ECEDMO C=CCn1cc(C(=O)N(CC)[C@H]2CCC[N@@H+](CC(=O)NC)CC2)nn1 ZINC000998140960 744000633 /nfs/dbraw/zinc/00/06/33/744000633.db2.gz LRXBCCBCZODKQT-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC000998141670 744001646 /nfs/dbraw/zinc/00/16/46/744001646.db2.gz YJHKVNYWAQGZDW-CVEARBPZSA-N 1 1 344.463 0.962 20 30 ECEDMO Cn1nncc1C[N@H+](C)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027375533 744036410 /nfs/dbraw/zinc/03/64/10/744036410.db2.gz SVCPTEOCHMSUSP-AWEZNQCLSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1nncc1C[N@@H+](C)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027375533 744036413 /nfs/dbraw/zinc/03/64/13/744036413.db2.gz SVCPTEOCHMSUSP-AWEZNQCLSA-N 1 1 327.392 0.751 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000998197369 744044602 /nfs/dbraw/zinc/04/46/02/744044602.db2.gz LJBVGVXXSVYJKG-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000998197368 744044715 /nfs/dbraw/zinc/04/47/15/744044715.db2.gz LJBVGVXXSVYJKG-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001058770819 744048744 /nfs/dbraw/zinc/04/87/44/744048744.db2.gz GFHZEIKNVWAFBF-UHFFFAOYSA-N 1 1 334.420 0.485 20 30 ECEDMO C[N@@H+]([C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@@H]1CCC(=O)NC1=O ZINC001027375964 744055565 /nfs/dbraw/zinc/05/55/65/744055565.db2.gz ZZFOLZPAUHPZCW-ZIAGYGMSSA-N 1 1 343.387 0.228 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000976590948 744117074 /nfs/dbraw/zinc/11/70/74/744117074.db2.gz OITBKJWXIZPPEV-NYXISSTPSA-N 1 1 347.459 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@]2(C)CCCOC2)C1 ZINC000998463001 744180283 /nfs/dbraw/zinc/18/02/83/744180283.db2.gz IDWZIBCXKFTTAF-YJBOKZPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@]2(C)CCCOC2)C1 ZINC000998463001 744180286 /nfs/dbraw/zinc/18/02/86/744180286.db2.gz IDWZIBCXKFTTAF-YJBOKZPZSA-N 1 1 333.432 0.228 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCOCC3=O)C[C@@]2(C)C1 ZINC000982297548 751903343 /nfs/dbraw/zinc/90/33/43/751903343.db2.gz LRIRBUYTMFPBLH-HDICACEKSA-N 1 1 333.432 0.039 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3nccs3)C[C@H]21 ZINC000976739830 744265944 /nfs/dbraw/zinc/26/59/44/744265944.db2.gz JGNVFAIHECUMBX-RFQIPJPRSA-N 1 1 344.440 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3nccs3)C[C@H]21 ZINC000976739830 744265948 /nfs/dbraw/zinc/26/59/48/744265948.db2.gz JGNVFAIHECUMBX-RFQIPJPRSA-N 1 1 344.440 0.427 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000976742221 744277978 /nfs/dbraw/zinc/27/79/78/744277978.db2.gz SLZBSIBEBZXUQZ-HDEZJCGLSA-N 1 1 338.411 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000976742221 744277982 /nfs/dbraw/zinc/27/79/82/744277982.db2.gz SLZBSIBEBZXUQZ-HDEZJCGLSA-N 1 1 338.411 0.366 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCOC3)C[C@H]21 ZINC000976743285 744279140 /nfs/dbraw/zinc/27/91/40/744279140.db2.gz WXZLQAORSCARIB-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCOC3)C[C@H]21 ZINC000976743285 744279141 /nfs/dbraw/zinc/27/91/41/744279141.db2.gz WXZLQAORSCARIB-ZOFXXKQRSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2Cc3ccccc32)C1 ZINC000998690545 744285766 /nfs/dbraw/zinc/28/57/66/744285766.db2.gz RCQMYSARGADTQI-ROUUACIJSA-N 1 1 337.423 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2Cc3ccccc32)C1 ZINC000998690545 744285768 /nfs/dbraw/zinc/28/57/68/744285768.db2.gz RCQMYSARGADTQI-ROUUACIJSA-N 1 1 337.423 0.751 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(C4CC4)nc3)C2)nn1 ZINC001105339209 744326270 /nfs/dbraw/zinc/32/62/70/744326270.db2.gz LIQJJKQDPFRHQO-UHFFFAOYSA-N 1 1 339.403 0.918 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(=O)n(C)cn3)C[C@@]2(C)C1 ZINC000982298584 751909296 /nfs/dbraw/zinc/90/92/96/751909296.db2.gz IGFHQGZRFVUZLR-HDICACEKSA-N 1 1 328.416 0.588 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2nocc2C)C1 ZINC001006868706 751919174 /nfs/dbraw/zinc/91/91/74/751919174.db2.gz ITDVLLXDYMDNRY-HIFRSBDPSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2nocc2C)C1 ZINC001006868706 751919181 /nfs/dbraw/zinc/91/91/81/751919181.db2.gz ITDVLLXDYMDNRY-HIFRSBDPSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2nc(C)no2)C1 ZINC001027446647 744487125 /nfs/dbraw/zinc/48/71/25/744487125.db2.gz QDDCBPMFISRLEV-HOTGVXAUSA-N 1 1 345.447 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2nc(C)no2)C1 ZINC001027446647 744487128 /nfs/dbraw/zinc/48/71/28/744487128.db2.gz QDDCBPMFISRLEV-HOTGVXAUSA-N 1 1 345.447 0.898 20 30 ECEDMO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000999284441 744600603 /nfs/dbraw/zinc/60/06/03/744600603.db2.gz QUTFBBWYFFEERY-OAHLLOKOSA-N 1 1 345.447 0.497 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001027493774 744801787 /nfs/dbraw/zinc/80/17/87/744801787.db2.gz OGXWFBHOAFXDQO-AWEZNQCLSA-N 1 1 329.466 0.521 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001027508421 744864413 /nfs/dbraw/zinc/86/44/13/744864413.db2.gz ZXZCFSNWIWBOAA-KBPBESRZSA-N 1 1 329.391 0.508 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cccn1C ZINC000977382299 744916886 /nfs/dbraw/zinc/91/68/86/744916886.db2.gz BMHKFGCPZGNIHO-WBVHZDCISA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cccn1C ZINC000977382299 744916888 /nfs/dbraw/zinc/91/68/88/744916888.db2.gz BMHKFGCPZGNIHO-WBVHZDCISA-N 1 1 342.443 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc[nH]n1 ZINC000977405170 744930822 /nfs/dbraw/zinc/93/08/22/744930822.db2.gz IDQVWOIMDSXHKG-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc[nH]n1 ZINC000977405170 744930823 /nfs/dbraw/zinc/93/08/23/744930823.db2.gz IDQVWOIMDSXHKG-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccn[nH]1 ZINC000977405170 744930826 /nfs/dbraw/zinc/93/08/26/744930826.db2.gz IDQVWOIMDSXHKG-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccn[nH]1 ZINC000977405170 744930828 /nfs/dbraw/zinc/93/08/28/744930828.db2.gz IDQVWOIMDSXHKG-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CC(NCc3cnns3)C2)CC1 ZINC000999870691 744972830 /nfs/dbraw/zinc/97/28/30/744972830.db2.gz PFFICRBGOUWMJT-UHFFFAOYSA-N 1 1 347.488 0.962 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3nn(CC)nc3C)C2)nn1 ZINC001105382621 744996076 /nfs/dbraw/zinc/99/60/76/744996076.db2.gz KSDUJCJDXMLXOG-UHFFFAOYSA-N 1 1 344.423 0.561 20 30 ECEDMO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3COCCN3CC)C[C@@]2(C)C1 ZINC000982322428 751962632 /nfs/dbraw/zinc/96/26/32/751962632.db2.gz VTSAMERHXCJXSC-QRQLOZEOSA-N 1 1 333.476 0.901 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC000999892777 745022371 /nfs/dbraw/zinc/02/23/71/745022371.db2.gz YZOPBFJQXDRGQV-IUODEOHRSA-N 1 1 326.400 0.201 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCOC3)nn2)C1 ZINC000999957631 745098312 /nfs/dbraw/zinc/09/83/12/745098312.db2.gz WFGSWELQLZKAPV-ZBFHGGJFSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3=COCCC3)nn2)C1 ZINC000999960620 745102761 /nfs/dbraw/zinc/10/27/61/745102761.db2.gz DDKFVXSHGPEJDK-INIZCTEOSA-N 1 1 329.404 0.859 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(C)c3)nn2)C1 ZINC000999980849 745132004 /nfs/dbraw/zinc/13/20/04/745132004.db2.gz OHLZTJVVVHQBAK-MRXNPFEDSA-N 1 1 326.404 0.817 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nccc(C)n3)nn2)C1 ZINC000999985203 745138545 /nfs/dbraw/zinc/13/85/45/745138545.db2.gz PJYYXSDINAULMD-AWEZNQCLSA-N 1 1 327.392 0.739 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CCC(O)CC3)nn2)C1 ZINC000999985920 745138985 /nfs/dbraw/zinc/13/89/85/745138985.db2.gz RDVCSYPQJCTSOD-WIHSUSGWSA-N 1 1 345.447 0.716 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC000999987256 745142050 /nfs/dbraw/zinc/14/20/50/745142050.db2.gz XLZDOJPDZNZHEM-HNNXBMFYSA-N 1 1 327.392 0.821 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3CC)nn2)C1 ZINC000999992753 745150580 /nfs/dbraw/zinc/15/05/80/745150580.db2.gz PYJCSVIDXOYRST-PVAVHDDUSA-N 1 1 345.447 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc4[nH]ccc4c3)nn2)C1 ZINC000999993450 745151689 /nfs/dbraw/zinc/15/16/89/745151689.db2.gz TVXFDEZYAIBFOU-INIZCTEOSA-N 1 1 349.398 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CCOC)C1 ZINC001058964957 745152823 /nfs/dbraw/zinc/15/28/23/745152823.db2.gz RNXJRAUWDZBAKW-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CCOC)C1 ZINC001058964957 745152826 /nfs/dbraw/zinc/15/28/26/745152826.db2.gz RNXJRAUWDZBAKW-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(OCC)n[nH]3)nn2)C1 ZINC000999998896 745159954 /nfs/dbraw/zinc/15/99/54/745159954.db2.gz VCJYATKLHUPZDB-ZDUSSCGKSA-N 1 1 343.391 0.210 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2nnn(C)n2)CC1 ZINC001029145348 745164327 /nfs/dbraw/zinc/16/43/27/745164327.db2.gz CILOQVOBXHFQAT-CFVMTHIKSA-N 1 1 348.451 0.518 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3coc(C(N)=O)c3)nn2)C1 ZINC001000003352 745168098 /nfs/dbraw/zinc/16/80/98/745168098.db2.gz XWCOYJWIDZYTQP-ZDUSSCGKSA-N 1 1 344.375 0.333 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001000030016 745203677 /nfs/dbraw/zinc/20/36/77/745203677.db2.gz PTCADOHJWHJWCC-ZDUSSCGKSA-N 1 1 347.810 0.997 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001000030016 745203683 /nfs/dbraw/zinc/20/36/83/745203683.db2.gz PTCADOHJWHJWCC-ZDUSSCGKSA-N 1 1 347.810 0.997 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000977565559 745210072 /nfs/dbraw/zinc/21/00/72/745210072.db2.gz JHMUCFCQOWAYHZ-ZDUSSCGKSA-N 1 1 336.436 0.673 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncc(OC)n3)nn2)C1 ZINC001000035103 745210566 /nfs/dbraw/zinc/21/05/66/745210566.db2.gz YDPRDWAESVBRCR-ZDUSSCGKSA-N 1 1 343.391 0.440 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)nn1 ZINC001098696951 745212570 /nfs/dbraw/zinc/21/25/70/745212570.db2.gz AHJWJFVYRBLFLJ-GJZGRUSLSA-N 1 1 346.435 0.338 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)noc3CC)nn2)C1 ZINC001000042678 745221840 /nfs/dbraw/zinc/22/18/40/745221840.db2.gz GINQSLZVLNWMID-AWEZNQCLSA-N 1 1 342.403 0.947 20 30 ECEDMO CC#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046318 745227024 /nfs/dbraw/zinc/22/70/24/745227024.db2.gz SHPBDWIHPFEGOG-GOEBONIOSA-N 1 1 330.436 0.116 20 30 ECEDMO CC#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046318 745227030 /nfs/dbraw/zinc/22/70/30/745227030.db2.gz SHPBDWIHPFEGOG-GOEBONIOSA-N 1 1 330.436 0.116 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)Cc3cnoc3)C2)C1=O ZINC001027541514 745249566 /nfs/dbraw/zinc/24/95/66/745249566.db2.gz TUXMXGOMVOEEIQ-HOTGVXAUSA-N 1 1 346.431 0.927 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCCO3)[C@@H](O)C2)cc1 ZINC001083411351 745291637 /nfs/dbraw/zinc/29/16/37/745291637.db2.gz PCOJJRDXKYSIFA-IKGGRYGDSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCCO3)[C@@H](O)C2)cc1 ZINC001083411351 745291641 /nfs/dbraw/zinc/29/16/41/745291641.db2.gz PCOJJRDXKYSIFA-IKGGRYGDSA-N 1 1 329.400 0.789 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3csnn3)C2)nn1 ZINC001020700585 751990393 /nfs/dbraw/zinc/99/03/93/751990393.db2.gz VWOWQAYOTNDHFW-GMTAPVOTSA-N 1 1 333.421 0.927 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3CNC(=O)N3)CC2)CC1 ZINC001000251324 745386207 /nfs/dbraw/zinc/38/62/07/745386207.db2.gz ZTCJUYYDARTPTP-GFCCVEGCSA-N 1 1 326.828 0.781 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC000977735404 745432281 /nfs/dbraw/zinc/43/22/81/745432281.db2.gz XYCQDCDWUZMZIP-KGLIPLIRSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@]2(C)C1 ZINC000982344440 752004811 /nfs/dbraw/zinc/00/48/11/752004811.db2.gz FFHZVIVGKPFKHR-HDICACEKSA-N 1 1 346.431 0.695 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)c[nH]1 ZINC001029278110 745506527 /nfs/dbraw/zinc/50/65/27/745506527.db2.gz MLUPNUNGLHPRIE-GASCZTMLSA-N 1 1 325.376 0.467 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)c[nH]1 ZINC001029278110 745506530 /nfs/dbraw/zinc/50/65/30/745506530.db2.gz MLUPNUNGLHPRIE-GASCZTMLSA-N 1 1 325.376 0.467 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4COCCO4)[C@@H]3C2)s1 ZINC000977833456 745532735 /nfs/dbraw/zinc/53/27/35/745532735.db2.gz DHSWWHWGJXTFDD-LVQVYYBASA-N 1 1 347.440 0.829 20 30 ECEDMO O=C(Cn1ncnn1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075796773 745591349 /nfs/dbraw/zinc/59/13/49/745591349.db2.gz CDXBVYYOPKKNCJ-DLBZAZTESA-N 1 1 336.399 0.258 20 30 ECEDMO O=C(Cn1ncnn1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075796773 745591352 /nfs/dbraw/zinc/59/13/52/745591352.db2.gz CDXBVYYOPKKNCJ-DLBZAZTESA-N 1 1 336.399 0.258 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cnco1 ZINC000977920363 745649250 /nfs/dbraw/zinc/64/92/50/745649250.db2.gz OUEOXWJKRSBFTP-KBPBESRZSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cnco1 ZINC000977920363 745649252 /nfs/dbraw/zinc/64/92/52/745649252.db2.gz OUEOXWJKRSBFTP-KBPBESRZSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1=COCCO1 ZINC000977932000 745689211 /nfs/dbraw/zinc/68/92/11/745689211.db2.gz WRIQBROYVHPAKA-GJZGRUSLSA-N 1 1 347.415 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C1=COCCO1 ZINC000977932000 745689214 /nfs/dbraw/zinc/68/92/14/745689214.db2.gz WRIQBROYVHPAKA-GJZGRUSLSA-N 1 1 347.415 0.032 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1ncccc1C#N ZINC001126522897 745712954 /nfs/dbraw/zinc/71/29/54/745712954.db2.gz FUAUVOLNJVSHHI-HOCLYGCPSA-N 1 1 345.447 0.720 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCCC2)cn1 ZINC001028270824 752026874 /nfs/dbraw/zinc/02/68/74/752026874.db2.gz UAURPRINDMKMBC-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)cn1 ZINC001028270824 752026877 /nfs/dbraw/zinc/02/68/77/752026877.db2.gz UAURPRINDMKMBC-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1cncc(C#N)n1 ZINC001126523755 745729691 /nfs/dbraw/zinc/72/96/91/745729691.db2.gz PFBQBZDZRAARAE-AWEZNQCLSA-N 1 1 346.435 0.259 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)CC1 ZINC001000768160 745753229 /nfs/dbraw/zinc/75/32/29/745753229.db2.gz WDGABUOBLZOCFN-UHFFFAOYSA-N 1 1 325.372 0.669 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001029342403 745758049 /nfs/dbraw/zinc/75/80/49/745758049.db2.gz MPLMGKUGELLFJC-BBWFWOEESA-N 1 1 342.447 0.051 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001029342403 745758051 /nfs/dbraw/zinc/75/80/51/745758051.db2.gz MPLMGKUGELLFJC-BBWFWOEESA-N 1 1 342.447 0.051 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N(C)C ZINC001029342579 745759100 /nfs/dbraw/zinc/75/91/00/745759100.db2.gz VHNYRCCHGMVEDV-NCOADZHNSA-N 1 1 346.475 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N(C)C ZINC001029342579 745759108 /nfs/dbraw/zinc/75/91/08/745759108.db2.gz VHNYRCCHGMVEDV-NCOADZHNSA-N 1 1 346.475 0.236 20 30 ECEDMO Cc1nonc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978017505 745802742 /nfs/dbraw/zinc/80/27/42/745802742.db2.gz DILBFZDRFUBDRT-XYYAHUGASA-N 1 1 326.360 0.686 20 30 ECEDMO Cc1nonc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978017505 745802752 /nfs/dbraw/zinc/80/27/52/745802752.db2.gz DILBFZDRFUBDRT-XYYAHUGASA-N 1 1 326.360 0.686 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC000978096657 745913027 /nfs/dbraw/zinc/91/30/27/745913027.db2.gz KRPMEXIXQGSITI-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000984165796 745977283 /nfs/dbraw/zinc/97/72/83/745977283.db2.gz YHFMDNWULCGQHG-YESZJQIVSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000984165796 745977288 /nfs/dbraw/zinc/97/72/88/745977288.db2.gz YHFMDNWULCGQHG-YESZJQIVSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000984165792 745977300 /nfs/dbraw/zinc/97/73/00/745977300.db2.gz YHFMDNWULCGQHG-IXDOHACOSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000984165792 745977303 /nfs/dbraw/zinc/97/73/03/745977303.db2.gz YHFMDNWULCGQHG-IXDOHACOSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN(C(=O)CC)C3)[C@@H]2C1 ZINC000978189766 746012825 /nfs/dbraw/zinc/01/28/25/746012825.db2.gz MDZRSFAVLMMRCT-LUKYLMHMSA-N 1 1 331.460 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000978209618 746043950 /nfs/dbraw/zinc/04/39/50/746043950.db2.gz LPYPPWRXALSOEJ-ZOFXXKQRSA-N 1 1 345.443 0.036 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000978209618 746043956 /nfs/dbraw/zinc/04/39/56/746043956.db2.gz LPYPPWRXALSOEJ-ZOFXXKQRSA-N 1 1 345.443 0.036 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000978235301 746069901 /nfs/dbraw/zinc/06/99/01/746069901.db2.gz NIVLKKXDFHBTHP-SJORKVTESA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)[C@H]1CC ZINC001087592949 746104756 /nfs/dbraw/zinc/10/47/56/746104756.db2.gz HEKVQAZQQPINFX-JKSUJKDBSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccnc(F)c2)C1 ZINC001001142424 746109789 /nfs/dbraw/zinc/10/97/89/746109789.db2.gz GULSAIRBHFXRCY-HNNXBMFYSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccnc(F)c2)C1 ZINC001001142424 746109792 /nfs/dbraw/zinc/10/97/92/746109792.db2.gz GULSAIRBHFXRCY-HNNXBMFYSA-N 1 1 344.390 0.507 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001001162867 746126941 /nfs/dbraw/zinc/12/69/41/746126941.db2.gz KIZMDECZQCQOMQ-PMPSAXMXSA-N 1 1 333.432 0.604 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000978287891 746129769 /nfs/dbraw/zinc/12/97/69/746129769.db2.gz ZLHNOIVUJRBROM-OKYOBFRVSA-N 1 1 338.455 0.973 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1CC ZINC001087670993 746166459 /nfs/dbraw/zinc/16/64/59/746166459.db2.gz NKNMXRZXAMSJHU-GOEBONIOSA-N 1 1 339.403 0.663 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1CC ZINC001087670976 746166853 /nfs/dbraw/zinc/16/68/53/746166853.db2.gz MZNVCGDUZKFPBV-DZGCQCFKSA-N 1 1 341.415 0.937 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+](CCn3cccn3)CC2)nn1 ZINC001001242665 746201220 /nfs/dbraw/zinc/20/12/20/746201220.db2.gz SVOUDOTZSYCWRW-UHFFFAOYSA-N 1 1 341.419 0.723 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001001257707 746217016 /nfs/dbraw/zinc/21/70/16/746217016.db2.gz YPBNHCZIPYGAJJ-ULQDDVLXSA-N 1 1 347.459 0.995 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnnc3)[C@H]2CC)C1=O ZINC001087738866 746262419 /nfs/dbraw/zinc/26/24/19/746262419.db2.gz XSYRDFYQVDFVON-ARFHVFGLSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001001361376 746308014 /nfs/dbraw/zinc/30/80/14/746308014.db2.gz ZWDBUTBDGKVVEN-UHFFFAOYSA-N 1 1 330.388 0.494 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001001361376 746308019 /nfs/dbraw/zinc/30/80/19/746308019.db2.gz ZWDBUTBDGKVVEN-UHFFFAOYSA-N 1 1 330.388 0.494 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+](CC(=O)N3CCC3)CC2)cn1 ZINC001001382927 746328981 /nfs/dbraw/zinc/32/89/81/746328981.db2.gz DKHOYXGLVWRNDD-UHFFFAOYSA-N 1 1 338.411 0.657 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](CC(=O)N3CCC3)CC2)cn1 ZINC001001382927 746328987 /nfs/dbraw/zinc/32/89/87/746328987.db2.gz DKHOYXGLVWRNDD-UHFFFAOYSA-N 1 1 338.411 0.657 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1 ZINC000978440725 746328958 /nfs/dbraw/zinc/32/89/58/746328958.db2.gz UZKJOVQROYBQLL-OSYLJGHBSA-N 1 1 341.411 0.482 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@@H]2C1 ZINC000978527194 746406516 /nfs/dbraw/zinc/40/65/16/746406516.db2.gz QUTIGMODFCEHQT-SMLCLMEVSA-N 1 1 335.448 0.492 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC001001472733 746413892 /nfs/dbraw/zinc/41/38/92/746413892.db2.gz VGYWXVWPCJVTLD-UHFFFAOYSA-N 1 1 346.435 0.304 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccn(C)n3)[C@H]2CC)C1=O ZINC001087827604 746430323 /nfs/dbraw/zinc/43/03/23/746430323.db2.gz BFLGCSIXEJZJJZ-IMJJTQAJSA-N 1 1 345.447 0.790 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001001506114 746444358 /nfs/dbraw/zinc/44/43/58/746444358.db2.gz KTTJDLZENSQFPQ-GFCCVEGCSA-N 1 1 329.404 0.416 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C(F)F)C[C@@H]3C2)C1=O ZINC001087858314 746514837 /nfs/dbraw/zinc/51/48/37/746514837.db2.gz XMCQHUNCMDPTCX-AGIUHOORSA-N 1 1 327.375 0.819 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)c[nH]1 ZINC001083418698 746525224 /nfs/dbraw/zinc/52/52/24/746525224.db2.gz WCQRBRJCKVXAAJ-KGLIPLIRSA-N 1 1 331.401 0.360 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)c[nH]1 ZINC001083418698 746525227 /nfs/dbraw/zinc/52/52/27/746525227.db2.gz WCQRBRJCKVXAAJ-KGLIPLIRSA-N 1 1 331.401 0.360 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000978665271 746554619 /nfs/dbraw/zinc/55/46/19/746554619.db2.gz CILFCZBUWDDTGJ-VNHYZAJKSA-N 1 1 346.435 0.183 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C[C@@]2(C)C1 ZINC000982397288 752101821 /nfs/dbraw/zinc/10/18/21/752101821.db2.gz LLVYVZSENXFBEM-LZQZEXGQSA-N 1 1 341.459 0.953 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CCOCC3)C2)c1 ZINC001007117069 752102946 /nfs/dbraw/zinc/10/29/46/752102946.db2.gz NTCAXSHQJFBRTA-SFHVURJKSA-N 1 1 342.443 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ocnc2C)C1 ZINC000978680051 746577421 /nfs/dbraw/zinc/57/74/21/746577421.db2.gz IKIHIHODBIIUPN-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ocnc2C)C1 ZINC000978680051 746577424 /nfs/dbraw/zinc/57/74/24/746577424.db2.gz IKIHIHODBIIUPN-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000978670155 746585709 /nfs/dbraw/zinc/58/57/09/746585709.db2.gz XGXQVVSYAXNRGM-FPCVCCKLSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001001687641 746601590 /nfs/dbraw/zinc/60/15/90/746601590.db2.gz BHJYTXRVFSFMAP-IHRRRGAJSA-N 1 1 339.386 0.560 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001001687641 746601593 /nfs/dbraw/zinc/60/15/93/746601593.db2.gz BHJYTXRVFSFMAP-IHRRRGAJSA-N 1 1 339.386 0.560 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001098518365 752109984 /nfs/dbraw/zinc/10/99/84/752109984.db2.gz MNSRLDNGKYTAJD-SJORKVTESA-N 1 1 349.475 0.313 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059396639 746622249 /nfs/dbraw/zinc/62/22/49/746622249.db2.gz CREAZEXZTKKFBY-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059396639 746622252 /nfs/dbraw/zinc/62/22/52/746622252.db2.gz CREAZEXZTKKFBY-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059397072 746623125 /nfs/dbraw/zinc/62/31/25/746623125.db2.gz LLRWQMXHSRIWTQ-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059397072 746623128 /nfs/dbraw/zinc/62/31/28/746623128.db2.gz LLRWQMXHSRIWTQ-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059397727 746635330 /nfs/dbraw/zinc/63/53/30/746635330.db2.gz XMPMOZLZXHIANJ-HZPDHXFCSA-N 1 1 335.448 0.331 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059397727 746635334 /nfs/dbraw/zinc/63/53/34/746635334.db2.gz XMPMOZLZXHIANJ-HZPDHXFCSA-N 1 1 335.448 0.331 20 30 ECEDMO C=C(Br)C[NH+]1CCC(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001001721124 746642504 /nfs/dbraw/zinc/64/25/04/746642504.db2.gz IGWJLVMIXRFDPY-LBPRGKRZSA-N 1 1 344.253 0.859 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001027663543 746646014 /nfs/dbraw/zinc/64/60/14/746646014.db2.gz DAHRNTQQXHYLKF-DZGCQCFKSA-N 1 1 327.450 0.014 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)C1=O ZINC001087924894 746668472 /nfs/dbraw/zinc/66/84/72/746668472.db2.gz NXQKRESPPCVVMJ-YCPHGPKFSA-N 1 1 341.415 0.511 20 30 ECEDMO COCCN(CCNC(=O)CCc1cnc[nH]1)c1nccnc1C#N ZINC001126561135 746702844 /nfs/dbraw/zinc/70/28/44/746702844.db2.gz COBGVWUPBDPYCZ-UHFFFAOYSA-N 1 1 343.391 0.273 20 30 ECEDMO CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1)C1CC1 ZINC001211886550 746739259 /nfs/dbraw/zinc/73/92/59/746739259.db2.gz NVSRPCVINDLORN-RBSFLKMASA-N 1 1 341.477 0.874 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001027676663 746746285 /nfs/dbraw/zinc/74/62/85/746746285.db2.gz DHZOCYVDBOGBHF-HNNXBMFYSA-N 1 1 343.493 0.216 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ncc[nH]4)C[C@@H]3C2)C1=O ZINC001087960192 746748317 /nfs/dbraw/zinc/74/83/17/746748317.db2.gz ICCYDQSEPXPAJQ-QLFBSQMISA-N 1 1 343.431 0.591 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)nn1 ZINC000978821106 746749416 /nfs/dbraw/zinc/74/94/16/746749416.db2.gz VCCZAABSPGMJHB-ZQDZILKHSA-N 1 1 331.420 0.408 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H]2C1 ZINC000978860834 746808820 /nfs/dbraw/zinc/80/88/20/746808820.db2.gz WJJGRXUIKBAJTP-HSFUPAIVSA-N 1 1 342.443 0.606 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1 ZINC000978867741 746818032 /nfs/dbraw/zinc/81/80/32/746818032.db2.gz WCDMIKCYQZAMOI-ZSOGYDGISA-N 1 1 341.415 0.815 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC001001979594 746859731 /nfs/dbraw/zinc/85/97/31/746859731.db2.gz UIFMZBYEZRKSHU-OAHLLOKOSA-N 1 1 326.400 0.203 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4c([nH]c3=O)CCOC4)[C@@H]2C1 ZINC000978961480 746959509 /nfs/dbraw/zinc/95/95/09/746959509.db2.gz NLBXYMQTSFZNNY-QKDCVEJESA-N 1 1 329.400 0.954 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC001002086049 746963023 /nfs/dbraw/zinc/96/30/23/746963023.db2.gz ROEXXZDSOUGPRL-OJLVUWQFSA-N 1 1 341.415 0.842 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978969674 746972159 /nfs/dbraw/zinc/97/21/59/746972159.db2.gz NPVFSZPCYHHZCM-ZQDZILKHSA-N 1 1 329.404 0.170 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cn3)OCCO4)C[C@@H]2C1 ZINC001087997299 746978173 /nfs/dbraw/zinc/97/81/73/746978173.db2.gz WSABHLVWGUSKBK-KGLIPLIRSA-N 1 1 327.384 0.880 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)c2nccnc2C(N)=O)CC1 ZINC001002107806 746983971 /nfs/dbraw/zinc/98/39/71/746983971.db2.gz SPRXSXHRMNRNIS-UHFFFAOYSA-N 1 1 337.811 0.770 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(CC)no3)C2)nn1 ZINC000984903510 747083700 /nfs/dbraw/zinc/08/37/00/747083700.db2.gz ZRWYKOHILLZQKD-HAQNSBGRSA-N 1 1 345.407 0.708 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3ncccc3C#N)C2)O1 ZINC001059461609 747129379 /nfs/dbraw/zinc/12/93/79/747129379.db2.gz QJQCLUXURRVJLP-NMFUWQPSSA-N 1 1 329.404 0.731 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3ncccc3C#N)C2)O1 ZINC001059461609 747129385 /nfs/dbraw/zinc/12/93/85/747129385.db2.gz QJQCLUXURRVJLP-NMFUWQPSSA-N 1 1 329.404 0.731 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@@H]2C1 ZINC001088049611 747146170 /nfs/dbraw/zinc/14/61/70/747146170.db2.gz PSTOOJNGIBEWNV-CABCVRRESA-N 1 1 339.399 0.947 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088087300 747328991 /nfs/dbraw/zinc/32/89/91/747328991.db2.gz RESGCGXRPAUKGW-HIFRSBDPSA-N 1 1 342.399 0.332 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@]2(C)CN(Cc3nc(=O)n(C)[n-]3)C[C@@]2(C)C1 ZINC000982428172 752174173 /nfs/dbraw/zinc/17/41/73/752174173.db2.gz FNCRRZDDRCWGGE-HDICACEKSA-N 1 1 347.463 0.991 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1NC(=O)CSCC#N ZINC001211891998 747391725 /nfs/dbraw/zinc/39/17/25/747391725.db2.gz YGWUBSGIOZJZGU-HUUCEWRRSA-N 1 1 334.445 0.962 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1NC(=O)CSCC#N ZINC001211891998 747391731 /nfs/dbraw/zinc/39/17/31/747391731.db2.gz YGWUBSGIOZJZGU-HUUCEWRRSA-N 1 1 334.445 0.962 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2nc(C)cc(C#N)n2)C1 ZINC001105409380 747420823 /nfs/dbraw/zinc/42/08/23/747420823.db2.gz FRTUJEAEICNEJY-HNNXBMFYSA-N 1 1 346.435 0.272 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2nc(C)cc(C#N)n2)C1 ZINC001105409380 747420825 /nfs/dbraw/zinc/42/08/25/747420825.db2.gz FRTUJEAEICNEJY-HNNXBMFYSA-N 1 1 346.435 0.272 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2cc(C)ncc2C#N)C1 ZINC001105409561 747429634 /nfs/dbraw/zinc/42/96/34/747429634.db2.gz KAINRXOGBWMZPR-QGZVFWFLSA-N 1 1 345.447 0.877 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2cc(C)ncc2C#N)C1 ZINC001105409561 747429638 /nfs/dbraw/zinc/42/96/38/747429638.db2.gz KAINRXOGBWMZPR-QGZVFWFLSA-N 1 1 345.447 0.877 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC001002515011 747454421 /nfs/dbraw/zinc/45/44/21/747454421.db2.gz FRZPYYAVTWVEAF-HUUCEWRRSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979263416 747490034 /nfs/dbraw/zinc/49/00/34/747490034.db2.gz CWNDAEFKFUMZMT-YGRLFVJLSA-N 1 1 330.348 0.289 20 30 ECEDMO Cc1nnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)s1 ZINC000979286109 747537187 /nfs/dbraw/zinc/53/71/87/747537187.db2.gz BGGXCWQMRKNNPG-BXUZGUMPSA-N 1 1 334.445 0.965 20 30 ECEDMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979286674 747537967 /nfs/dbraw/zinc/53/79/67/747537967.db2.gz CQLPKLCFALTLOW-ABAIWWIYSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@H]([NH2+]Cc1cnon1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979295845 747560379 /nfs/dbraw/zinc/56/03/79/747560379.db2.gz SIEBBZHFVFYUBZ-IINYFYTJSA-N 1 1 330.348 0.289 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)nn1 ZINC001105342517 747580403 /nfs/dbraw/zinc/58/04/03/747580403.db2.gz IOLXBQOMNOFLEC-ZBFHGGJFSA-N 1 1 343.435 0.291 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc4nc(C)nn43)C[C@@H]2C1 ZINC001088169126 747583219 /nfs/dbraw/zinc/58/32/19/747583219.db2.gz ITHFGDXLQKPWFV-CABCVRRESA-N 1 1 338.415 0.850 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)nn1 ZINC001105342576 747588956 /nfs/dbraw/zinc/58/89/56/747588956.db2.gz LLNXCTJVACPQBU-WBVHZDCISA-N 1 1 344.463 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC001002640894 747604108 /nfs/dbraw/zinc/60/41/08/747604108.db2.gz PLHABVRTEFEOBV-BBWFWOEESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC001002640894 747604114 /nfs/dbraw/zinc/60/41/14/747604114.db2.gz PLHABVRTEFEOBV-BBWFWOEESA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncnn1CCF)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979329281 747622425 /nfs/dbraw/zinc/62/24/25/747622425.db2.gz IBYGRHBAGKPRJK-UKRRQHHQSA-N 1 1 349.410 0.367 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]2C1 ZINC001088169916 747627124 /nfs/dbraw/zinc/62/71/24/747627124.db2.gz VFDFDAXJPSAQBF-OLZOCXBDSA-N 1 1 342.403 0.388 20 30 ECEDMO CCCn1ncnc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979337995 747637204 /nfs/dbraw/zinc/63/72/04/747637204.db2.gz SQDGFSMWOZSUEL-HOCLYGCPSA-N 1 1 345.447 0.807 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088205015 747741424 /nfs/dbraw/zinc/74/14/24/747741424.db2.gz YCQPYZJHTKXKJI-ILXRZTDVSA-N 1 1 341.477 0.425 20 30 ECEDMO COc1ccc(C[N@@H+](C)C2CCN(C(=O)CC(N)=O)CC2)cc1C#N ZINC000985341398 747746467 /nfs/dbraw/zinc/74/64/67/747746467.db2.gz CKJJFFBOMNBRQH-UHFFFAOYSA-N 1 1 344.415 0.865 20 30 ECEDMO CNC(=O)C[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001088230580 747783369 /nfs/dbraw/zinc/78/33/69/747783369.db2.gz UHTXGMQJMULSAO-DZGCQCFKSA-N 1 1 336.436 0.222 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001088230580 747783374 /nfs/dbraw/zinc/78/33/74/747783374.db2.gz UHTXGMQJMULSAO-DZGCQCFKSA-N 1 1 336.436 0.222 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001088235700 747818860 /nfs/dbraw/zinc/81/88/60/747818860.db2.gz ZYSALJYWOQPWKU-CVEARBPZSA-N 1 1 335.448 0.638 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001007236922 752214865 /nfs/dbraw/zinc/21/48/65/752214865.db2.gz RGLYYAAVOKWUSC-LSDHHAIUSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001007236922 752214867 /nfs/dbraw/zinc/21/48/67/752214867.db2.gz RGLYYAAVOKWUSC-LSDHHAIUSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](OC)C(C)C)C1 ZINC001002825845 747837847 /nfs/dbraw/zinc/83/78/47/747837847.db2.gz ISYAJNQHUNAZHY-HOTGVXAUSA-N 1 1 335.448 0.330 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](OC)C(C)C)C1 ZINC001002825845 747837853 /nfs/dbraw/zinc/83/78/53/747837853.db2.gz ISYAJNQHUNAZHY-HOTGVXAUSA-N 1 1 335.448 0.330 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cccnc2C)C1 ZINC001002826661 747839679 /nfs/dbraw/zinc/83/96/79/747839679.db2.gz PCBOSQUPMSLMHE-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cccnc2C)C1 ZINC001002826661 747839685 /nfs/dbraw/zinc/83/96/85/747839685.db2.gz PCBOSQUPMSLMHE-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC2(F)F)C1 ZINC001002827057 747840960 /nfs/dbraw/zinc/84/09/60/747840960.db2.gz SIHVXSMPINLALY-STQMWFEESA-N 1 1 325.359 0.314 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC2(F)F)C1 ZINC001002827057 747840967 /nfs/dbraw/zinc/84/09/67/747840967.db2.gz SIHVXSMPINLALY-STQMWFEESA-N 1 1 325.359 0.314 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2cccnc2)C1 ZINC001002828731 747843412 /nfs/dbraw/zinc/84/34/12/747843412.db2.gz GCKQVCIIOPPPSU-KRWDZBQOSA-N 1 1 340.427 0.296 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2cccnc2)C1 ZINC001002828731 747843418 /nfs/dbraw/zinc/84/34/18/747843418.db2.gz GCKQVCIIOPPPSU-KRWDZBQOSA-N 1 1 340.427 0.296 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCc2ccco2)C1 ZINC001002828865 747843829 /nfs/dbraw/zinc/84/38/29/747843829.db2.gz IHDKWMRVMFOVEK-KRWDZBQOSA-N 1 1 343.427 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCc2ccco2)C1 ZINC001002828865 747843837 /nfs/dbraw/zinc/84/38/37/747843837.db2.gz IHDKWMRVMFOVEK-KRWDZBQOSA-N 1 1 343.427 0.884 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000985430173 747989471 /nfs/dbraw/zinc/98/94/71/747989471.db2.gz XVAABVIAWXUAAC-CYBMUJFWSA-N 1 1 329.404 0.319 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@@H+](C)C2CCN(C(=O)C#CC3CC3)CC2)CCO1 ZINC000985431960 748000380 /nfs/dbraw/zinc/00/03/80/748000380.db2.gz UYTUJEXJBBXOHK-HNNXBMFYSA-N 1 1 347.459 0.570 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cccn2)c1 ZINC001027813754 748010266 /nfs/dbraw/zinc/01/02/66/748010266.db2.gz AHXXRDCUFZXSOQ-GJZGRUSLSA-N 1 1 342.403 0.338 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001029676434 748038479 /nfs/dbraw/zinc/03/84/79/748038479.db2.gz AZMNZNXJZQYPKS-OLZOCXBDSA-N 1 1 342.403 0.463 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979567980 748057014 /nfs/dbraw/zinc/05/70/14/748057014.db2.gz SLCQULSZFKYKKH-UXIGCNINSA-N 1 1 329.404 0.605 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681909 748057036 /nfs/dbraw/zinc/05/70/36/748057036.db2.gz PAPUXLCFQQQSGH-CYBMUJFWSA-N 1 1 332.379 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cnnn2CC)CC1 ZINC001003054978 748122986 /nfs/dbraw/zinc/12/29/86/748122986.db2.gz DGDXWXBIEUDHLL-KRWDZBQOSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cnnn2CC)CC1 ZINC001003054978 748122991 /nfs/dbraw/zinc/12/29/91/748122991.db2.gz DGDXWXBIEUDHLL-KRWDZBQOSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nncs2)CC1 ZINC001003056246 748125491 /nfs/dbraw/zinc/12/54/91/748125491.db2.gz NWVNFFOOSVJNRM-AWEZNQCLSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nncs2)CC1 ZINC001003056246 748125496 /nfs/dbraw/zinc/12/54/96/748125496.db2.gz NWVNFFOOSVJNRM-AWEZNQCLSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nccc(C)n2)CC1 ZINC001003056745 748125768 /nfs/dbraw/zinc/12/57/68/748125768.db2.gz RPJNXQFOQOMWNK-KRWDZBQOSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nccc(C)n2)CC1 ZINC001003056745 748125770 /nfs/dbraw/zinc/12/57/70/748125770.db2.gz RPJNXQFOQOMWNK-KRWDZBQOSA-N 1 1 341.459 0.963 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000979657577 748169694 /nfs/dbraw/zinc/16/96/94/748169694.db2.gz NRWHVTUXLHETTA-OBJOEFQTSA-N 1 1 329.404 0.463 20 30 ECEDMO C[N@@H+](C[C@H]1CCN(C(=O)C#CC2CC2)C1)C[C@@H]1CCS(=O)(=O)C1 ZINC001029733523 748176481 /nfs/dbraw/zinc/17/64/81/748176481.db2.gz LOYADCBZTPAJIN-CVEARBPZSA-N 1 1 338.473 0.615 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000979665017 748185426 /nfs/dbraw/zinc/18/54/26/748185426.db2.gz OSLJSPRMOOAOBA-OBJOEFQTSA-N 1 1 329.404 0.463 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2ncnn2C)C1 ZINC001029757809 748268158 /nfs/dbraw/zinc/26/81/58/748268158.db2.gz IOFDOKANWBQVDN-CVEARBPZSA-N 1 1 344.463 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2ncnn2C)C1 ZINC001029757809 748268162 /nfs/dbraw/zinc/26/81/62/748268162.db2.gz IOFDOKANWBQVDN-CVEARBPZSA-N 1 1 344.463 0.193 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3ncccn3)C2)nn1 ZINC001105344265 748299382 /nfs/dbraw/zinc/29/93/82/748299382.db2.gz VZNGPWWUVITTSD-UHFFFAOYSA-N 1 1 341.419 0.750 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001059553901 748309266 /nfs/dbraw/zinc/30/92/66/748309266.db2.gz AJUYCZITVMJJJU-YJBOKZPZSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027835382 748381612 /nfs/dbraw/zinc/38/16/12/748381612.db2.gz BIDXISIFUAZXCK-HZPDHXFCSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027835382 748381618 /nfs/dbraw/zinc/38/16/18/748381618.db2.gz BIDXISIFUAZXCK-HZPDHXFCSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000979773578 748399383 /nfs/dbraw/zinc/39/93/83/748399383.db2.gz ABFFDONQJBDAIB-IHRRRGAJSA-N 1 1 346.435 0.040 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3ccc(C)n3)C2)nn1 ZINC001098727895 748436924 /nfs/dbraw/zinc/43/69/24/748436924.db2.gz JKGQOIVAKZADNV-OAHLLOKOSA-N 1 1 329.408 0.532 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCNC2=O)CC1 ZINC001003430968 748548967 /nfs/dbraw/zinc/54/89/67/748548967.db2.gz FVPRWOPLOQCNQP-INIZCTEOSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001007314534 752282131 /nfs/dbraw/zinc/28/21/31/752282131.db2.gz CDYNJRBPOKYKQL-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001007314534 752282134 /nfs/dbraw/zinc/28/21/34/752282134.db2.gz CDYNJRBPOKYKQL-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)c1 ZINC001003533512 748653058 /nfs/dbraw/zinc/65/30/58/748653058.db2.gz ZZFPWLDXQYUMBU-OAHLLOKOSA-N 1 1 345.378 0.459 20 30 ECEDMO CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC#CCOC)C1 ZINC001112190312 748723334 /nfs/dbraw/zinc/72/33/34/748723334.db2.gz VJDHTYMSVJTKMT-ZIAGYGMSSA-N 1 1 349.397 0.957 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC#CCOC)C1 ZINC001112190312 748723340 /nfs/dbraw/zinc/72/33/40/748723340.db2.gz VJDHTYMSVJTKMT-ZIAGYGMSSA-N 1 1 349.397 0.957 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)n3nnnc3C(C)(C)C)[C@@H]2C1 ZINC001075869569 748734589 /nfs/dbraw/zinc/73/45/89/748734589.db2.gz ZPUIOKGHHWCYJL-MELADBBJSA-N 1 1 330.436 0.698 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccsn2)C1 ZINC000979966583 748757663 /nfs/dbraw/zinc/75/76/63/748757663.db2.gz AOGWYAMSLNOJIT-YDHLFZDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccsn2)C1 ZINC000979966583 748757666 /nfs/dbraw/zinc/75/76/66/748757666.db2.gz AOGWYAMSLNOJIT-YDHLFZDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000979967627 748759786 /nfs/dbraw/zinc/75/97/86/748759786.db2.gz NHAZPBPWSIUJEI-VQHPVUNQSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000979967627 748759791 /nfs/dbraw/zinc/75/97/91/748759791.db2.gz NHAZPBPWSIUJEI-VQHPVUNQSA-N 1 1 347.459 0.522 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 ZINC000979982151 748775532 /nfs/dbraw/zinc/77/55/32/748775532.db2.gz RDKDTZHBGXJKBH-BBWFWOEESA-N 1 1 348.491 0.553 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)[C@H]1COC(=O)N1 ZINC001027860758 748816338 /nfs/dbraw/zinc/81/63/38/748816338.db2.gz KXADXBHTXOIURN-HZPDHXFCSA-N 1 1 345.374 0.866 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)[C@H]1COC(=O)N1 ZINC001027860758 748816341 /nfs/dbraw/zinc/81/63/41/748816341.db2.gz KXADXBHTXOIURN-HZPDHXFCSA-N 1 1 345.374 0.866 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)nn1 ZINC001003755330 748864879 /nfs/dbraw/zinc/86/48/79/748864879.db2.gz VDGRHECZDOWYEN-LBPRGKRZSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cnon3)CC2)C1=O ZINC000985707394 748908455 /nfs/dbraw/zinc/90/84/55/748908455.db2.gz GLCQGGJCAHRCSM-CQSZACIVSA-N 1 1 333.392 0.393 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nccn3C)C2)nn1 ZINC001029859700 748951851 /nfs/dbraw/zinc/95/18/51/748951851.db2.gz HKSWQAMVWHIGOM-AWEZNQCLSA-N 1 1 343.435 0.792 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nccn3C)C2)nn1 ZINC001029859700 748951856 /nfs/dbraw/zinc/95/18/56/748951856.db2.gz HKSWQAMVWHIGOM-AWEZNQCLSA-N 1 1 343.435 0.792 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001027878516 748982220 /nfs/dbraw/zinc/98/22/20/748982220.db2.gz DDEBKBNPGLDMKJ-ZIAGYGMSSA-N 1 1 329.404 0.367 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)nn1 ZINC001029862434 749016130 /nfs/dbraw/zinc/01/61/30/749016130.db2.gz PWVUCTGMTISKSQ-UKRRQHHQSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(N)=O)cn3C)C[C@H]2C1 ZINC000980139671 749050384 /nfs/dbraw/zinc/05/03/84/749050384.db2.gz JUUIEATWOKNKPZ-DZKIICNBSA-N 1 1 342.443 0.978 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn(CCOC)n3)C[C@H]2C1 ZINC000980151738 749074394 /nfs/dbraw/zinc/07/43/94/749074394.db2.gz YNMYGYMCKKJYMT-HRCADAONSA-N 1 1 330.432 0.993 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000985780602 749077579 /nfs/dbraw/zinc/07/75/79/749077579.db2.gz AFDJPGZZMLBJNF-GFCCVEGCSA-N 1 1 342.827 0.650 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC000985781545 749079380 /nfs/dbraw/zinc/07/93/80/749079380.db2.gz KJADWRSBUFJWHN-UHFFFAOYSA-N 1 1 342.827 0.556 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001059648665 749110565 /nfs/dbraw/zinc/11/05/65/749110565.db2.gz WXKDRCDGEUCUJP-MRXNPFEDSA-N 1 1 337.464 0.721 20 30 ECEDMO C#Cc1cccc(NC(=O)CN2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001030162159 761920236 /nfs/dbraw/zinc/92/02/36/761920236.db2.gz SWQSFEMIVUTURC-QGZVFWFLSA-N 1 1 340.427 0.501 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001059654788 749154820 /nfs/dbraw/zinc/15/48/20/749154820.db2.gz WQWZGSROSDYJNB-OWCLPIDISA-N 1 1 329.404 0.733 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001059654788 749154823 /nfs/dbraw/zinc/15/48/23/749154823.db2.gz WQWZGSROSDYJNB-OWCLPIDISA-N 1 1 329.404 0.733 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1ccncc1C#N ZINC001126255016 749155165 /nfs/dbraw/zinc/15/51/65/749155165.db2.gz RSIKZKCNLXDXAL-MRXNPFEDSA-N 1 1 331.420 0.616 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)CC1 ZINC000985825319 749181311 /nfs/dbraw/zinc/18/13/11/749181311.db2.gz NMEFNERAHKJITL-UHFFFAOYSA-N 1 1 343.431 0.533 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(=O)NC)C[C@H]3C2)nc1 ZINC000980206763 749183492 /nfs/dbraw/zinc/18/34/92/749183492.db2.gz IAOZEGKDGQYPOS-BZUAXINKSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]2C1 ZINC000980204742 749198827 /nfs/dbraw/zinc/19/88/27/749198827.db2.gz BBNZYTAMRWSPDT-SDDRHHMPSA-N 1 1 346.387 0.360 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 ZINC000980219361 749215181 /nfs/dbraw/zinc/21/51/81/749215181.db2.gz OIXLZMAQWHVQNP-RRFJBIMHSA-N 1 1 346.431 0.168 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC000980228981 749225052 /nfs/dbraw/zinc/22/50/52/749225052.db2.gz GXXUAEIHJCWJJN-RRFJBIMHSA-N 1 1 333.436 0.293 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC000985866957 749232500 /nfs/dbraw/zinc/23/25/00/749232500.db2.gz CSEYBOKCGWNQPG-PMPSAXMXSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC000985866957 749232505 /nfs/dbraw/zinc/23/25/05/749232505.db2.gz CSEYBOKCGWNQPG-PMPSAXMXSA-N 1 1 349.475 0.836 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc4ncccn4n3)C[C@@H]2C1 ZINC000980242967 749248261 /nfs/dbraw/zinc/24/82/61/749248261.db2.gz VCRJUZWSZVBPMW-ZNMIVQPWSA-N 1 1 338.415 0.517 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980251459 749256597 /nfs/dbraw/zinc/25/65/97/749256597.db2.gz IVBPWCZXYXWTIG-MJBXVCDLSA-N 1 1 346.431 0.892 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC000980252742 749258879 /nfs/dbraw/zinc/25/88/79/749258879.db2.gz LERFMOLUELXJMR-MELADBBJSA-N 1 1 346.431 0.892 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980258814 749266289 /nfs/dbraw/zinc/26/62/89/749266289.db2.gz ZVTHWYCQKGQXPQ-MJBXVCDLSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN([C@H](CC)C(N)=O)CC2)CC1 ZINC001004201137 749307642 /nfs/dbraw/zinc/30/76/42/749307642.db2.gz JYXJPVXHFFBERU-MRXNPFEDSA-N 1 1 334.464 0.176 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098632350 749335075 /nfs/dbraw/zinc/33/50/75/749335075.db2.gz BFBNATQFMCOHMA-ZFWWWQNUSA-N 1 1 337.424 0.115 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001059674936 749345074 /nfs/dbraw/zinc/34/50/74/749345074.db2.gz XDHLGXAROXWIPN-JKSUJKDBSA-N 1 1 335.448 0.333 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000980338781 749380186 /nfs/dbraw/zinc/38/01/86/749380186.db2.gz MEHKOHAQVKNPKO-LBPRGKRZSA-N 1 1 330.417 0.944 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(OCC(N)=O)c1 ZINC001027917170 749392890 /nfs/dbraw/zinc/39/28/90/749392890.db2.gz BUYDJSZFEDDOTJ-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1 ZINC000986078043 749486312 /nfs/dbraw/zinc/48/63/12/749486312.db2.gz BOYBLEPIDNCTJA-IKGGRYGDSA-N 1 1 329.444 0.658 20 30 ECEDMO CCc1cc(NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)nc(C)[nH+]1 ZINC001105809050 761957511 /nfs/dbraw/zinc/95/75/11/761957511.db2.gz VMMIHSRLLVQMSR-ZDUSSCGKSA-N 1 1 328.376 0.750 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001004458462 749525767 /nfs/dbraw/zinc/52/57/67/749525767.db2.gz OSNFXNGEDJBAMD-KBPBESRZSA-N 1 1 334.420 0.474 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC001029904388 749539345 /nfs/dbraw/zinc/53/93/45/749539345.db2.gz UTXZQTXEJKRRKX-GOEBONIOSA-N 1 1 345.447 0.601 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)c3C)[C@H]2C)C1=O ZINC001088470980 749547964 /nfs/dbraw/zinc/54/79/64/749547964.db2.gz MJNNPZILNVBXAS-KBMXLJTQSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)c3C)[C@H]2C)C1=O ZINC001088470980 749547966 /nfs/dbraw/zinc/54/79/66/749547966.db2.gz MJNNPZILNVBXAS-KBMXLJTQSA-N 1 1 345.447 0.708 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001004525579 749597273 /nfs/dbraw/zinc/59/72/73/749597273.db2.gz RFVJMGGRONPIKY-PMPSAXMXSA-N 1 1 335.448 0.636 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000986138843 749603880 /nfs/dbraw/zinc/60/38/80/749603880.db2.gz ZMGUMRBAAWLLGW-YPMHNXCESA-N 1 1 327.392 0.891 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000986136022 749606905 /nfs/dbraw/zinc/60/69/05/749606905.db2.gz RHABATCUQGFIGR-WCQYABFASA-N 1 1 342.407 0.847 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000986136015 749607044 /nfs/dbraw/zinc/60/70/44/749607044.db2.gz RHABATCUQGFIGR-AAEUAGOBSA-N 1 1 342.407 0.847 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC(N)=O)CC2)c1 ZINC001004544534 749608146 /nfs/dbraw/zinc/60/81/46/749608146.db2.gz UJLDBWVUTDXFMT-KRWDZBQOSA-N 1 1 340.427 0.865 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C)nn1 ZINC000986181542 749640049 /nfs/dbraw/zinc/64/00/49/749640049.db2.gz GSPCBMKOHYLKPL-XHDPSFHLSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC1 ZINC001027938970 749642084 /nfs/dbraw/zinc/64/20/84/749642084.db2.gz DJUKHXYUJAQXIG-IRXDYDNUSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001027938970 749642088 /nfs/dbraw/zinc/64/20/88/749642088.db2.gz DJUKHXYUJAQXIG-IRXDYDNUSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@H]3CCOC3)C2)CC1 ZINC000980479890 749642462 /nfs/dbraw/zinc/64/24/62/749642462.db2.gz YYGYQSNVDCMOHJ-SJLPKXTDSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C[C@H]3CCOC3)C2)CC1 ZINC000980479890 749642467 /nfs/dbraw/zinc/64/24/67/749642467.db2.gz YYGYQSNVDCMOHJ-SJLPKXTDSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001004573779 749645508 /nfs/dbraw/zinc/64/55/08/749645508.db2.gz AUJLMHYHHZQPCF-MRXNPFEDSA-N 1 1 345.443 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 ZINC001004620985 749698268 /nfs/dbraw/zinc/69/82/68/749698268.db2.gz TVDMAKYAQNPAAA-OAHLLOKOSA-N 1 1 330.432 0.674 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(F)F)CC[C@@H]2C1 ZINC000986309763 749779708 /nfs/dbraw/zinc/77/97/08/749779708.db2.gz PSGAWYREMNQVLZ-RDBSUJKOSA-N 1 1 339.386 0.656 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(F)F)CC[C@@H]2C1 ZINC000986309763 749779713 /nfs/dbraw/zinc/77/97/13/749779713.db2.gz PSGAWYREMNQVLZ-RDBSUJKOSA-N 1 1 339.386 0.656 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C[NH2+]Cc3cnsn3)C[C@@H]2C)nn1 ZINC000980715375 750009116 /nfs/dbraw/zinc/00/91/16/750009116.db2.gz BNNGEDRBCYCJFL-RYUDHWBXSA-N 1 1 347.448 0.956 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2nnc3n2CCOC3)CC1 ZINC001029946111 750024242 /nfs/dbraw/zinc/02/42/42/750024242.db2.gz HAMUZMKSCDCOFJ-CYBMUJFWSA-N 1 1 346.435 0.638 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(C[N@@H+](C)Cc2nnc3n2CCOC3)CC1 ZINC001029946111 750024253 /nfs/dbraw/zinc/02/42/53/750024253.db2.gz HAMUZMKSCDCOFJ-CYBMUJFWSA-N 1 1 346.435 0.638 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)[C@H]1CCNC1=O ZINC001029956832 750071986 /nfs/dbraw/zinc/07/19/86/750071986.db2.gz GGPFSKCXYYBJGW-HNNXBMFYSA-N 1 1 329.404 0.559 20 30 ECEDMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111599711 762006265 /nfs/dbraw/zinc/00/62/65/762006265.db2.gz CLKWMUTUZRBZDH-BBRMVZONSA-N 1 1 338.477 0.692 20 30 ECEDMO CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111599711 762006275 /nfs/dbraw/zinc/00/62/75/762006275.db2.gz CLKWMUTUZRBZDH-BBRMVZONSA-N 1 1 338.477 0.692 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058845471 750087681 /nfs/dbraw/zinc/08/76/81/750087681.db2.gz OHDIWSZBCCTDRA-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027973195 750101553 /nfs/dbraw/zinc/10/15/53/750101553.db2.gz LXFZXLBYXNSDQW-LBPRGKRZSA-N 1 1 327.406 0.697 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001030184788 762014149 /nfs/dbraw/zinc/01/41/49/762014149.db2.gz XTEZHBBSYBWNFG-MRXNPFEDSA-N 1 1 332.379 0.328 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001030184788 762014160 /nfs/dbraw/zinc/01/41/60/762014160.db2.gz XTEZHBBSYBWNFG-MRXNPFEDSA-N 1 1 332.379 0.328 20 30 ECEDMO COCC#CCN[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211904 750193663 /nfs/dbraw/zinc/19/36/63/750193663.db2.gz CALPBNDEWLKZNP-ZIAGYGMSSA-N 1 1 349.397 0.955 20 30 ECEDMO COCC#CCN[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211904 750193667 /nfs/dbraw/zinc/19/36/67/750193667.db2.gz CALPBNDEWLKZNP-ZIAGYGMSSA-N 1 1 349.397 0.955 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000980956086 750387006 /nfs/dbraw/zinc/38/70/06/750387006.db2.gz SHKWGNNRJXFWBI-LZWOXQAQSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000980956086 750387012 /nfs/dbraw/zinc/38/70/12/750387012.db2.gz SHKWGNNRJXFWBI-LZWOXQAQSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cc(C)on2)C1 ZINC001005653569 750492398 /nfs/dbraw/zinc/49/23/98/750492398.db2.gz NQONRFNOXSWWHX-CJNGLKHVSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cc(C)on2)C1 ZINC001005653569 750492401 /nfs/dbraw/zinc/49/24/01/750492401.db2.gz NQONRFNOXSWWHX-CJNGLKHVSA-N 1 1 344.415 0.657 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+]Cc2nc([C@H](C)OC)no2)nn1 ZINC001167838424 750520380 /nfs/dbraw/zinc/52/03/80/750520380.db2.gz FKOLKWXUBPEKFU-NSHDSACASA-N 1 1 349.395 0.464 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cn(CC)nn3)[C@H]2C)nn1 ZINC000987135793 750523730 /nfs/dbraw/zinc/52/37/30/750523730.db2.gz RLCBAEYWEMVKLB-OCCSQVGLSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC000991605144 762046022 /nfs/dbraw/zinc/04/60/22/762046022.db2.gz CYQZOEBXJHPNAX-UONOGXRCSA-N 1 1 334.420 0.482 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2noc(CC)n2)CC1 ZINC000981361500 750625687 /nfs/dbraw/zinc/62/56/87/750625687.db2.gz QCUWUWPIDJLQGL-HNNXBMFYSA-N 1 1 345.447 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2noc(CC)n2)CC1 ZINC000981361500 750625692 /nfs/dbraw/zinc/62/56/92/750625692.db2.gz QCUWUWPIDJLQGL-HNNXBMFYSA-N 1 1 345.447 0.764 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088549732 750629718 /nfs/dbraw/zinc/62/97/18/750629718.db2.gz BKVCVJXCBRKHLO-WKPIXPDZSA-N 1 1 346.362 0.885 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088549732 750629720 /nfs/dbraw/zinc/62/97/20/750629720.db2.gz BKVCVJXCBRKHLO-WKPIXPDZSA-N 1 1 346.362 0.885 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001005801492 750651831 /nfs/dbraw/zinc/65/18/31/750651831.db2.gz AGHOIVCZHUZRKG-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001059789914 750670890 /nfs/dbraw/zinc/67/08/90/750670890.db2.gz FCZBLXYEKRGHNU-INIZCTEOSA-N 1 1 337.464 0.721 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC001005831813 750701906 /nfs/dbraw/zinc/70/19/06/750701906.db2.gz ZZWXIJRABKLWLH-DYVFJYSZSA-N 1 1 340.427 0.734 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001005871354 750748860 /nfs/dbraw/zinc/74/88/60/750748860.db2.gz RAKVYJNQQZJRSL-WBMJQRKESA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000981542503 750792499 /nfs/dbraw/zinc/79/24/99/750792499.db2.gz OOSVHMOUQPYUQZ-UHFFFAOYSA-N 1 1 327.406 0.651 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001005928389 750812360 /nfs/dbraw/zinc/81/23/60/750812360.db2.gz ZAYKFXXYTLKZBC-QWHCGFSZSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001005938812 750821656 /nfs/dbraw/zinc/82/16/56/750821656.db2.gz MZMNPIXDXBGVON-GFCCVEGCSA-N 1 1 343.431 0.947 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1F ZINC001028109543 750914210 /nfs/dbraw/zinc/91/42/10/750914210.db2.gz KGBASXGADCPXNP-UKRRQHHQSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1F ZINC001028109543 750914214 /nfs/dbraw/zinc/91/42/14/750914214.db2.gz KGBASXGADCPXNP-UKRRQHHQSA-N 1 1 345.378 0.459 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[n-]2)CC1 ZINC001028114732 750961528 /nfs/dbraw/zinc/96/15/28/750961528.db2.gz NWNDOALJJALMBN-AWEZNQCLSA-N 1 1 333.436 0.935 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NCc3cnns3)[C@H]2C)CC1 ZINC000987573152 750974824 /nfs/dbraw/zinc/97/48/24/750974824.db2.gz ZCSYSVNUONIKQD-CZUORRHYSA-N 1 1 347.488 0.962 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CCn3cccn3)[C@H]2C)CC1 ZINC000987573247 750975348 /nfs/dbraw/zinc/97/53/48/750975348.db2.gz ZIUCMNLKQRGCRK-SJLPKXTDSA-N 1 1 343.475 0.807 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)c1 ZINC000981747232 751067129 /nfs/dbraw/zinc/06/71/29/751067129.db2.gz VXHYEQQAIFLZCD-MRXNPFEDSA-N 1 1 326.400 0.729 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)c1 ZINC000981747232 751067135 /nfs/dbraw/zinc/06/71/35/751067135.db2.gz VXHYEQQAIFLZCD-MRXNPFEDSA-N 1 1 326.400 0.729 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)C1=O ZINC000981758438 751079537 /nfs/dbraw/zinc/07/95/37/751079537.db2.gz PTDNYJFFFOLWLL-MRXNPFEDSA-N 1 1 329.444 0.945 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC000981775036 751085940 /nfs/dbraw/zinc/08/59/40/751085940.db2.gz QBQUVBMBMITATR-ZNMIVQPWSA-N 1 1 335.448 0.766 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)C(N)=O)C2 ZINC000981775036 751085946 /nfs/dbraw/zinc/08/59/46/751085946.db2.gz QBQUVBMBMITATR-ZNMIVQPWSA-N 1 1 335.448 0.766 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000981798034 751122305 /nfs/dbraw/zinc/12/23/05/751122305.db2.gz PLZQBNNYKNORJC-AWEZNQCLSA-N 1 1 331.416 0.472 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N(C)C2CC2)c1 ZINC001028127412 751142919 /nfs/dbraw/zinc/14/29/19/751142919.db2.gz WBMQTYMHTMSTBX-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)C2CC2)c1 ZINC001028127412 751142923 /nfs/dbraw/zinc/14/29/23/751142923.db2.gz WBMQTYMHTMSTBX-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N(C)C2CC2)c1 ZINC001028127413 751143066 /nfs/dbraw/zinc/14/30/66/751143066.db2.gz WBMQTYMHTMSTBX-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N(C)C2CC2)c1 ZINC001028127413 751143070 /nfs/dbraw/zinc/14/30/70/751143070.db2.gz WBMQTYMHTMSTBX-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001028136460 751173155 /nfs/dbraw/zinc/17/31/55/751173155.db2.gz PWTFPOXAHPJDMV-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H](OC)C(C)C)CC2)C1=O ZINC000981877636 751237007 /nfs/dbraw/zinc/23/70/07/751237007.db2.gz JUZQDIKPHTVKDG-CVEARBPZSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H](OC)C(C)C)CC2)C1=O ZINC000981877636 751237011 /nfs/dbraw/zinc/23/70/11/751237011.db2.gz JUZQDIKPHTVKDG-CVEARBPZSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cocn2)C1 ZINC001006322006 751243872 /nfs/dbraw/zinc/24/38/72/751243872.db2.gz TYRWGIRNKZFNPC-DOMZBBRYSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cocn2)C1 ZINC001006322006 751243878 /nfs/dbraw/zinc/24/38/78/751243878.db2.gz TYRWGIRNKZFNPC-DOMZBBRYSA-N 1 1 330.388 0.349 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC000981913656 751271630 /nfs/dbraw/zinc/27/16/30/751271630.db2.gz UKZCOUQJMRBADA-HNNXBMFYSA-N 1 1 343.431 0.866 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccnc(C)n2)C1=O ZINC001028325751 752374372 /nfs/dbraw/zinc/37/43/72/752374372.db2.gz MHBKTHSKJINTKM-HOCLYGCPSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccnc(C)n2)C1=O ZINC001028325751 752374380 /nfs/dbraw/zinc/37/43/80/752374380.db2.gz MHBKTHSKJINTKM-HOCLYGCPSA-N 1 1 343.431 0.766 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001059911828 752459797 /nfs/dbraw/zinc/45/97/97/752459797.db2.gz QCAUCBOOSJCRMQ-ZIAGYGMSSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001059911828 752459803 /nfs/dbraw/zinc/45/98/03/752459803.db2.gz QCAUCBOOSJCRMQ-ZIAGYGMSSA-N 1 1 344.419 0.011 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000988654224 752486350 /nfs/dbraw/zinc/48/63/50/752486350.db2.gz LORCMCLMCMSYQS-AAEUAGOBSA-N 1 1 342.407 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cnccn3)C2)C1=O ZINC001028382247 752509571 /nfs/dbraw/zinc/50/95/71/752509571.db2.gz RBWJMZRUHWZPTI-DZGCQCFKSA-N 1 1 329.404 0.315 20 30 ECEDMO C=C(C)CNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644533 752522898 /nfs/dbraw/zinc/52/28/98/752522898.db2.gz CPIYQHXKNXKFME-HOTGVXAUSA-N 1 1 332.452 0.811 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001028391773 752529255 /nfs/dbraw/zinc/52/92/55/752529255.db2.gz LVDWNWODZHYSJI-GDBMZVCRSA-N 1 1 344.415 0.159 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NCc3cn(CC)nn3)C2)CC1 ZINC001021090300 752529913 /nfs/dbraw/zinc/52/99/13/752529913.db2.gz SHYGJXXMSLBIPD-WKILWMFISA-N 1 1 344.463 0.380 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nncn1-c1ccccc1 ZINC001126366728 752576654 /nfs/dbraw/zinc/57/66/54/752576654.db2.gz YXRBMEHWZKBTDM-KRWDZBQOSA-N 1 1 329.404 0.800 20 30 ECEDMO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1COCCO1 ZINC001028412943 752584676 /nfs/dbraw/zinc/58/46/76/752584676.db2.gz TZDIEESZZXGTPV-MSOLQXFVSA-N 1 1 328.412 0.892 20 30 ECEDMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083447668 752593550 /nfs/dbraw/zinc/59/35/50/752593550.db2.gz CNBAZYZOVLHNJS-CABCVRRESA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083447668 752593554 /nfs/dbraw/zinc/59/35/54/752593554.db2.gz CNBAZYZOVLHNJS-CABCVRRESA-N 1 1 325.372 0.565 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001028417087 752600092 /nfs/dbraw/zinc/60/00/92/752600092.db2.gz DQOQZCWMABVYNW-CZUORRHYSA-N 1 1 345.447 0.811 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cnsn3)C2)C1=O ZINC001028426785 752618282 /nfs/dbraw/zinc/61/82/82/752618282.db2.gz OIJHYNAZPZFWFY-WCQYABFASA-N 1 1 335.433 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2conc2C)[C@@H]1C ZINC000988737669 752640068 /nfs/dbraw/zinc/64/00/68/752640068.db2.gz DXDBHNCDJXMUBY-KBMXLJTQSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2conc2C)[C@@H]1C ZINC000988737669 752640072 /nfs/dbraw/zinc/64/00/72/752640072.db2.gz DXDBHNCDJXMUBY-KBMXLJTQSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(C)(C)O)[C@@H]1C ZINC000988738385 752641166 /nfs/dbraw/zinc/64/11/66/752641166.db2.gz OBXJFHAZJLVGNN-ILXRZTDVSA-N 1 1 335.448 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(C)(C)O)[C@@H]1C ZINC000988738385 752641170 /nfs/dbraw/zinc/64/11/70/752641170.db2.gz OBXJFHAZJLVGNN-ILXRZTDVSA-N 1 1 335.448 0.351 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC001028452003 752689364 /nfs/dbraw/zinc/68/93/64/752689364.db2.gz CZYCKQWMANHMOG-CABCVRRESA-N 1 1 345.447 0.865 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](CNC(=O)c3[nH]nc(C)c3C)C2)C1=O ZINC001028452003 752689367 /nfs/dbraw/zinc/68/93/67/752689367.db2.gz CZYCKQWMANHMOG-CABCVRRESA-N 1 1 345.447 0.865 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001007678415 752771687 /nfs/dbraw/zinc/77/16/87/752771687.db2.gz VVIKDACKLXNWEX-SUMWQHHRSA-N 1 1 345.403 0.181 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001021322507 752776853 /nfs/dbraw/zinc/77/68/53/752776853.db2.gz WMRIYWCFDMVRLW-CWRNSKLLSA-N 1 1 341.415 0.653 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001021322508 752776891 /nfs/dbraw/zinc/77/68/91/752776891.db2.gz WMRIYWCFDMVRLW-NUEKZKHPSA-N 1 1 341.415 0.653 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nnn(C)c3C)C2)nn1 ZINC001098645708 752803143 /nfs/dbraw/zinc/80/31/43/752803143.db2.gz UIMIBUCQBVLZER-AWEZNQCLSA-N 1 1 344.423 0.468 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)[nH]1 ZINC001028487293 752832393 /nfs/dbraw/zinc/83/23/93/752832393.db2.gz URGOYPCIZNDDKE-ZDUSSCGKSA-N 1 1 329.404 0.560 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028487324 752833765 /nfs/dbraw/zinc/83/37/65/752833765.db2.gz VFHLHPMCOAXEIM-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)c[nH]1 ZINC001028491666 752836457 /nfs/dbraw/zinc/83/64/57/752836457.db2.gz GDVRAXXCSYIFOO-CQSZACIVSA-N 1 1 343.431 0.951 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC001007712869 752848409 /nfs/dbraw/zinc/84/84/09/752848409.db2.gz PJAZGFPFUTZHSP-CXAGYDPISA-N 1 1 345.403 0.181 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn([C@@H](C)COC)nc2C)[C@@H](O)C1 ZINC001083460306 752885444 /nfs/dbraw/zinc/88/54/44/752885444.db2.gz AFPHSZJFIDEGKN-MAZHCROVSA-N 1 1 334.420 0.197 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3nnc4c3CCCC4)C[C@@]2(C)C1 ZINC000982557141 752894359 /nfs/dbraw/zinc/89/43/59/752894359.db2.gz LFBCUXDIHKNBTE-KDURUIRLSA-N 1 1 341.459 0.961 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3nn(C)cc3C)C2)C1=O ZINC001028537551 753099121 /nfs/dbraw/zinc/09/91/21/753099121.db2.gz NFCZPDRCIJUBDL-CABCVRRESA-N 1 1 345.447 0.567 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001059942160 753102431 /nfs/dbraw/zinc/10/24/31/753102431.db2.gz UFMLHBOIRNFABH-INIZCTEOSA-N 1 1 346.431 0.586 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001007952627 753121631 /nfs/dbraw/zinc/12/16/31/753121631.db2.gz MYTCNJOXZUQSIH-JKSUJKDBSA-N 1 1 345.447 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000989064729 753202180 /nfs/dbraw/zinc/20/21/80/753202180.db2.gz ODPVKQIKQAJMKT-XHSDSOJGSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC000989064729 753202186 /nfs/dbraw/zinc/20/21/86/753202186.db2.gz ODPVKQIKQAJMKT-XHSDSOJGSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001028576392 753247181 /nfs/dbraw/zinc/24/71/81/753247181.db2.gz DHSJKDVSSNGLCJ-AWEZNQCLSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001008065273 753262677 /nfs/dbraw/zinc/26/26/77/753262677.db2.gz ZMWCLUHDURCBQR-UONOGXRCSA-N 1 1 329.391 0.556 20 30 ECEDMO COCc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)cs1 ZINC001051494243 762205274 /nfs/dbraw/zinc/20/52/74/762205274.db2.gz GKTWJIZAPFUWGY-AAEUAGOBSA-N 1 1 338.433 0.766 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001008125593 753345164 /nfs/dbraw/zinc/34/51/64/753345164.db2.gz YGAVYZBCJMLSED-GFCCVEGCSA-N 1 1 330.396 0.464 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(C)no2)[C@@H]1C ZINC001088631091 753443271 /nfs/dbraw/zinc/44/32/71/753443271.db2.gz QKNWWFZSPODBFA-SNPRPXQTSA-N 1 1 331.420 0.555 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(C)no2)[C@@H]1C ZINC001088631091 753443274 /nfs/dbraw/zinc/44/32/74/753443274.db2.gz QKNWWFZSPODBFA-SNPRPXQTSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001008232801 753488630 /nfs/dbraw/zinc/48/86/30/753488630.db2.gz PBGSUFHVFQQZBN-ARKGTOAJSA-N 1 1 333.432 0.246 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001008232801 753488632 /nfs/dbraw/zinc/48/86/32/753488632.db2.gz PBGSUFHVFQQZBN-ARKGTOAJSA-N 1 1 333.432 0.246 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@@]2(C)C1 ZINC000982773030 753520597 /nfs/dbraw/zinc/52/05/97/753520597.db2.gz RAUNKEDKTKXPOV-QRQLOZEOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)nn1 ZINC001098681044 753609355 /nfs/dbraw/zinc/60/93/55/753609355.db2.gz NLEVXRFEWSLOCS-HIFRSBDPSA-N 1 1 346.435 0.196 20 30 ECEDMO CCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]n1 ZINC001083346306 753622762 /nfs/dbraw/zinc/62/27/62/753622762.db2.gz CQJCXOQXYDVBQU-SJORKVTESA-N 1 1 339.399 0.819 20 30 ECEDMO CCc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)[nH]n1 ZINC001083346306 753622767 /nfs/dbraw/zinc/62/27/67/753622767.db2.gz CQJCXOQXYDVBQU-SJORKVTESA-N 1 1 339.399 0.819 20 30 ECEDMO C=C(Cl)CNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372776 753684878 /nfs/dbraw/zinc/68/48/78/753684878.db2.gz WYFMLEWVCYZLNU-LBPRGKRZSA-N 1 1 338.843 0.455 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)nn1 ZINC001098683072 753693230 /nfs/dbraw/zinc/69/32/30/753693230.db2.gz PEHJLZFUZRDDNX-ZDUSSCGKSA-N 1 1 329.364 0.137 20 30 ECEDMO CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)C1=NC(=O)N(C)C1)CCO2 ZINC001105480739 753708394 /nfs/dbraw/zinc/70/83/94/753708394.db2.gz KXUMHTWVBFOSQK-UHFFFAOYSA-N 1 1 346.431 0.892 20 30 ECEDMO C=CCOCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098650060 753744779 /nfs/dbraw/zinc/74/47/79/753744779.db2.gz XZJKKCCBWNCCGJ-HNNXBMFYSA-N 1 1 337.424 0.116 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)nn1 ZINC001098685957 753800322 /nfs/dbraw/zinc/80/03/22/753800322.db2.gz VRYDAIQLGUAQDD-HIFRSBDPSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@@]2(C)C1 ZINC000982816957 753840575 /nfs/dbraw/zinc/84/05/75/753840575.db2.gz MXAMFHNSIVLUQK-RYQLBKOJSA-N 1 1 333.432 0.037 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583173 753864817 /nfs/dbraw/zinc/86/48/17/753864817.db2.gz LNBPMAACRQQGEH-HZPDHXFCSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001028601756 753878404 /nfs/dbraw/zinc/87/84/04/753878404.db2.gz UUEMDESAYVSUQB-AEFFLSMTSA-N 1 1 343.475 0.498 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@]3(C)C[N@@H+](CCCO)C[C@]3(C)C2)CC1 ZINC000982832123 753888678 /nfs/dbraw/zinc/88/86/78/753888678.db2.gz VZYLSZHQTPXGNN-BGYRXZFFSA-N 1 1 347.503 0.884 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@]3(C)C[N@H+](CCCO)C[C@]3(C)C2)CC1 ZINC000982832123 753888685 /nfs/dbraw/zinc/88/86/85/753888685.db2.gz VZYLSZHQTPXGNN-BGYRXZFFSA-N 1 1 347.503 0.884 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)s1 ZINC001008547613 753898714 /nfs/dbraw/zinc/89/87/14/753898714.db2.gz PCJQGAJIAVMCJJ-GDLCADMTSA-N 1 1 332.429 0.822 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)s1 ZINC001008547613 753898722 /nfs/dbraw/zinc/89/87/22/753898722.db2.gz PCJQGAJIAVMCJJ-GDLCADMTSA-N 1 1 332.429 0.822 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2cn(C3CCOCC3)nn2)CC1 ZINC000989433509 753903684 /nfs/dbraw/zinc/90/36/84/753903684.db2.gz HZJWDLCOPKKQEH-UHFFFAOYSA-N 1 1 331.420 0.801 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc(C(N)=O)n3)C[C@@]2(C)C1 ZINC000982841608 753950411 /nfs/dbraw/zinc/95/04/11/753950411.db2.gz GEDNKCAPIGEDAW-KDURUIRLSA-N 1 1 340.427 0.988 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCOC2)[C@H](OC)C1 ZINC001212107279 753995147 /nfs/dbraw/zinc/99/51/47/753995147.db2.gz SOJWZODSVGPLEN-BZUAXINKSA-N 1 1 326.437 0.821 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982854647 754003594 /nfs/dbraw/zinc/00/35/94/754003594.db2.gz NPBDGPHBGYCUDS-DOPJRALCSA-N 1 1 333.432 0.786 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C(N)=O)ccn3)C[C@@]2(C)C1 ZINC000982867180 754033757 /nfs/dbraw/zinc/03/37/57/754033757.db2.gz KIGGDMDZCOHXPS-HDICACEKSA-N 1 1 326.400 0.598 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC001105376709 754046317 /nfs/dbraw/zinc/04/63/17/754046317.db2.gz CXGUCTYATORKEZ-OKILXGFUSA-N 1 1 332.452 0.810 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001008734802 754054963 /nfs/dbraw/zinc/05/49/63/754054963.db2.gz FNOXGJDGWCJSHE-ZDUSSCGKSA-N 1 1 334.420 0.244 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)nn1 ZINC001105376868 754059928 /nfs/dbraw/zinc/05/99/28/754059928.db2.gz HSHZYIHWHVBDIH-ZDUSSCGKSA-N 1 1 346.435 0.196 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCCNC3=O)CC2)cn1 ZINC000989511259 754061218 /nfs/dbraw/zinc/06/12/18/754061218.db2.gz OZWIOHOBFKRZQW-MRXNPFEDSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)cn1 ZINC000989511259 754061222 /nfs/dbraw/zinc/06/12/22/754061222.db2.gz OZWIOHOBFKRZQW-MRXNPFEDSA-N 1 1 326.400 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(NC(=O)C(F)F)CCC[C@@H]12 ZINC001014123301 762266527 /nfs/dbraw/zinc/26/65/27/762266527.db2.gz FNTRFCJAYKFDNI-OGHNNQOOSA-N 1 1 339.386 0.989 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(NC(=O)C(F)F)CCC[C@@H]12 ZINC001014123301 762266535 /nfs/dbraw/zinc/26/65/35/762266535.db2.gz FNTRFCJAYKFDNI-OGHNNQOOSA-N 1 1 339.386 0.989 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nonc3C)C[C@H]2C)nn1 ZINC000989544479 754092782 /nfs/dbraw/zinc/09/27/82/754092782.db2.gz RVHYXZCNSQSZCL-YPMHNXCESA-N 1 1 345.407 0.938 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001008820088 754155124 /nfs/dbraw/zinc/15/51/24/754155124.db2.gz MPXASCCWKPVJCS-HNNXBMFYSA-N 1 1 348.451 0.726 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)c1ncccn1 ZINC001051523623 762273982 /nfs/dbraw/zinc/27/39/82/762273982.db2.gz HUVIEMUSMGMICV-TZMCWYRMSA-N 1 1 340.387 0.868 20 30 ECEDMO COc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)on1 ZINC001051524758 762276560 /nfs/dbraw/zinc/27/65/60/762276560.db2.gz XDHUSENAEXCKIS-CYBMUJFWSA-N 1 1 345.359 0.514 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001008847603 754198190 /nfs/dbraw/zinc/19/81/90/754198190.db2.gz UQMMWXGUHXRWCH-BRWVUGGUSA-N 1 1 330.432 0.892 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001008847603 754198193 /nfs/dbraw/zinc/19/81/93/754198193.db2.gz UQMMWXGUHXRWCH-BRWVUGGUSA-N 1 1 330.432 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cscn2)C1 ZINC000982923819 754206933 /nfs/dbraw/zinc/20/69/33/754206933.db2.gz RQNRUCGPOOFAIF-ZFWWWQNUSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cscn2)C1 ZINC000982923819 754206937 /nfs/dbraw/zinc/20/69/37/754206937.db2.gz RQNRUCGPOOFAIF-ZFWWWQNUSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccco2)C1 ZINC000982923806 754207707 /nfs/dbraw/zinc/20/77/07/754207707.db2.gz RIGURAKSFIIXET-GJZGRUSLSA-N 1 1 329.400 0.956 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccco2)C1 ZINC000982923806 754207710 /nfs/dbraw/zinc/20/77/10/754207710.db2.gz RIGURAKSFIIXET-GJZGRUSLSA-N 1 1 329.400 0.956 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cncnc2)C1 ZINC000982923891 754208319 /nfs/dbraw/zinc/20/83/19/754208319.db2.gz SITDZTKPFNXNOQ-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cncnc2)C1 ZINC000982923891 754208326 /nfs/dbraw/zinc/20/83/26/754208326.db2.gz SITDZTKPFNXNOQ-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001008961114 754362142 /nfs/dbraw/zinc/36/21/42/754362142.db2.gz DRPVKVCHXDBPNX-JONQDZQNSA-N 1 1 341.415 0.415 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000982993969 754378798 /nfs/dbraw/zinc/37/87/98/754378798.db2.gz KORAYECPRRYSJY-ZDUSSCGKSA-N 1 1 340.387 0.670 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000982998532 754391347 /nfs/dbraw/zinc/39/13/47/754391347.db2.gz NRAVCDJVSROVBY-BBRMVZONSA-N 1 1 346.406 0.830 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000982998532 754391355 /nfs/dbraw/zinc/39/13/55/754391355.db2.gz NRAVCDJVSROVBY-BBRMVZONSA-N 1 1 346.406 0.830 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000983009305 754415315 /nfs/dbraw/zinc/41/53/15/754415315.db2.gz KXELDXJOBIVWLL-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cncn3C)C2)C1=O ZINC001028667537 754464356 /nfs/dbraw/zinc/46/43/56/754464356.db2.gz PXPHCDRXGJDLKH-UONOGXRCSA-N 1 1 331.420 0.259 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000983080426 754574989 /nfs/dbraw/zinc/57/49/89/754574989.db2.gz ZFLOOWXLUWDZLD-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000983080426 754574990 /nfs/dbraw/zinc/57/49/90/754574990.db2.gz ZFLOOWXLUWDZLD-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001060006684 754679223 /nfs/dbraw/zinc/67/92/23/754679223.db2.gz FJDORKGYYBLMLE-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001060006684 754679225 /nfs/dbraw/zinc/67/92/25/754679225.db2.gz FJDORKGYYBLMLE-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)c3cc(C)[nH]n3)CC2)C1=O ZINC000990086084 754706459 /nfs/dbraw/zinc/70/64/59/754706459.db2.gz YGUSUXORAZFIJA-CQSZACIVSA-N 1 1 331.420 0.699 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCCNC3=O)C2)nc1 ZINC001009252802 754711500 /nfs/dbraw/zinc/71/15/00/754711500.db2.gz KUULJUVHKNCCPN-HOCLYGCPSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)nc1 ZINC001009252802 754711505 /nfs/dbraw/zinc/71/15/05/754711505.db2.gz KUULJUVHKNCCPN-HOCLYGCPSA-N 1 1 326.400 0.536 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1)c1nncn1C ZINC001051555940 762331700 /nfs/dbraw/zinc/33/17/00/762331700.db2.gz QGCSGXSFSKSLIS-DGCLKSJQSA-N 1 1 343.391 0.207 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059099338 754782267 /nfs/dbraw/zinc/78/22/67/754782267.db2.gz CTGAQZGFCQPGMP-UONOGXRCSA-N 1 1 328.420 0.657 20 30 ECEDMO COc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)on1 ZINC001051556794 762334605 /nfs/dbraw/zinc/33/46/05/762334605.db2.gz ZJQWBUVFPMRQLK-CYBMUJFWSA-N 1 1 345.359 0.514 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001009351421 754797458 /nfs/dbraw/zinc/79/74/58/754797458.db2.gz JEGNJTHNIBEADU-YOEHRIQHSA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001009351421 754797459 /nfs/dbraw/zinc/79/74/59/754797459.db2.gz JEGNJTHNIBEADU-YOEHRIQHSA-N 1 1 327.428 0.926 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001028714652 754807495 /nfs/dbraw/zinc/80/74/95/754807495.db2.gz VFTCXEGDHRZQTD-CYBMUJFWSA-N 1 1 327.388 0.406 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccc(C)n2)C1 ZINC000990271431 754896735 /nfs/dbraw/zinc/89/67/35/754896735.db2.gz CFIURZUQDNPRNX-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccc(C)n2)C1 ZINC000990271431 754896740 /nfs/dbraw/zinc/89/67/40/754896740.db2.gz CFIURZUQDNPRNX-INIZCTEOSA-N 1 1 326.400 0.428 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)c(F)c1 ZINC001028735443 754917507 /nfs/dbraw/zinc/91/75/07/754917507.db2.gz MLTXMCYSJVCPMU-UKRRQHHQSA-N 1 1 344.390 0.772 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075696886 754933932 /nfs/dbraw/zinc/93/39/32/754933932.db2.gz XOYGSHSQXGTZPU-TYNCELHUSA-N 1 1 329.404 0.509 20 30 ECEDMO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1=O ZINC001028749119 754963476 /nfs/dbraw/zinc/96/34/76/754963476.db2.gz DYFRDYJWTIXXDA-SJORKVTESA-N 1 1 340.427 0.975 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC001028792325 755137715 /nfs/dbraw/zinc/13/77/15/755137715.db2.gz HNGUKEHSGSMSGG-HIFRSBDPSA-N 1 1 328.416 0.591 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2onc(C)c2C)C1 ZINC000938152263 755148645 /nfs/dbraw/zinc/14/86/45/755148645.db2.gz QMJFLYZARQZCRD-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2onc(C)c2C)C1 ZINC000938152263 755148648 /nfs/dbraw/zinc/14/86/48/755148648.db2.gz QMJFLYZARQZCRD-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001060034269 755155674 /nfs/dbraw/zinc/15/56/74/755155674.db2.gz DQSHQLVUVFDEHY-UONOGXRCSA-N 1 1 328.420 0.950 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CCC[C@@H](N(C)c2cc(C)[nH+]c(C)n2)C1 ZINC001098689791 755187162 /nfs/dbraw/zinc/18/71/62/755187162.db2.gz ILRAFVQTMRDGDA-OAHLLOKOSA-N 1 1 343.431 0.660 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)[C@@H](O)C1 ZINC001083468636 755198467 /nfs/dbraw/zinc/19/84/67/755198467.db2.gz IANZJBMTOPCZMP-NCOADZHNSA-N 1 1 331.416 0.897 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)cc1 ZINC001028849366 755302352 /nfs/dbraw/zinc/30/23/52/755302352.db2.gz BAMDJCWPFCEEPY-HUUCEWRRSA-N 1 1 343.427 0.885 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001028862194 755330334 /nfs/dbraw/zinc/33/03/34/755330334.db2.gz NQFCIKKLDOKELJ-NWDGAFQWSA-N 1 1 335.857 0.211 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001028862194 755330339 /nfs/dbraw/zinc/33/03/39/755330339.db2.gz NQFCIKKLDOKELJ-NWDGAFQWSA-N 1 1 335.857 0.211 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001028862876 755334668 /nfs/dbraw/zinc/33/46/68/755334668.db2.gz YOMIGKLKQJAEDA-KBPBESRZSA-N 1 1 329.466 0.425 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001028864313 755335199 /nfs/dbraw/zinc/33/51/99/755335199.db2.gz LYVSADSAVWOWGC-RWWNRMGGSA-N 1 1 340.811 0.165 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001028864313 755335204 /nfs/dbraw/zinc/33/52/04/755335204.db2.gz LYVSADSAVWOWGC-RWWNRMGGSA-N 1 1 340.811 0.165 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001028919812 755477988 /nfs/dbraw/zinc/47/79/88/755477988.db2.gz HHGWOIPPYABESX-CYBMUJFWSA-N 1 1 326.404 0.885 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@@H](O)C1 ZINC001083478129 755610191 /nfs/dbraw/zinc/61/01/91/755610191.db2.gz WJIDJINAQCIFJB-CVEARBPZSA-N 1 1 332.448 0.889 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000990707908 755674114 /nfs/dbraw/zinc/67/41/14/755674114.db2.gz FELRGSPUFVPDKA-UHFFFAOYSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)[C@@H](O)C1 ZINC001083495556 755702214 /nfs/dbraw/zinc/70/22/14/755702214.db2.gz FQEMZXYJFPLQDX-CABCVRRESA-N 1 1 328.372 0.274 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]cc-3c2=O)[C@@H](O)C1 ZINC001083495556 755702220 /nfs/dbraw/zinc/70/22/20/755702220.db2.gz FQEMZXYJFPLQDX-CABCVRRESA-N 1 1 328.372 0.274 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)nn1 ZINC001098657382 755709641 /nfs/dbraw/zinc/70/96/41/755709641.db2.gz VHWSYYRIBNVVIS-CQSZACIVSA-N 1 1 328.376 0.742 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H]2C)C1=O ZINC001088804398 755746946 /nfs/dbraw/zinc/74/69/46/755746946.db2.gz UIKGLUZPUXZZSH-LGFJLYTPSA-N 1 1 333.432 0.245 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@H]2C)C1=O ZINC001088804398 755746950 /nfs/dbraw/zinc/74/69/50/755746950.db2.gz UIKGLUZPUXZZSH-LGFJLYTPSA-N 1 1 333.432 0.245 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(NC(=O)CC)c2)[C@@H](O)C1 ZINC001083502458 755747580 /nfs/dbraw/zinc/74/75/80/755747580.db2.gz HRHKEHJKXOHPBO-CVEARBPZSA-N 1 1 329.400 0.833 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)c1 ZINC000990720634 755751819 /nfs/dbraw/zinc/75/18/19/755751819.db2.gz BTCJSRHOVZOMOD-ZBFHGGJFSA-N 1 1 341.415 0.844 20 30 ECEDMO CN(C)S(=O)(=O)c1cc(C[NH2+]CCNC(=O)C#CC2CC2)co1 ZINC001126875985 755754333 /nfs/dbraw/zinc/75/43/33/755754333.db2.gz WCXDWCRKLKBDBG-UHFFFAOYSA-N 1 1 339.417 0.149 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn(-c3cccnc3)nn2)[C@@H](O)C1 ZINC001083510163 755787036 /nfs/dbraw/zinc/78/70/36/755787036.db2.gz QTKHXWMJNSGLMA-HIFRSBDPSA-N 1 1 328.376 0.013 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(-c3cccnc3)nn2)[C@@H](O)C1 ZINC001083510163 755787039 /nfs/dbraw/zinc/78/70/39/755787039.db2.gz QTKHXWMJNSGLMA-HIFRSBDPSA-N 1 1 328.376 0.013 20 30 ECEDMO Cn1ncc2c1nc(C[NH2+]CCNC(=O)C#CC(C)(C)C)[nH]c2=O ZINC001126893045 755842859 /nfs/dbraw/zinc/84/28/59/755842859.db2.gz DCWIVWGXPVFMPW-UHFFFAOYSA-N 1 1 330.392 0.324 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)[C@@H](O)C1 ZINC001083525410 755912707 /nfs/dbraw/zinc/91/27/07/755912707.db2.gz PIGNODYDAICMSK-MNOVXSKESA-N 1 1 332.360 0.588 20 30 ECEDMO C#CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CC(=O)NC)CC1 ZINC001105678402 755919010 /nfs/dbraw/zinc/91/90/10/755919010.db2.gz HTABFQPRPIEFMD-CALCHBBNSA-N 1 1 346.475 0.285 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083526471 755923492 /nfs/dbraw/zinc/92/34/92/755923492.db2.gz UEVGLKHTERHFDI-WBVHZDCISA-N 1 1 333.432 0.876 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2c(CC)nn(C)c2CC)[C@@H](O)C1 ZINC001083531796 755954618 /nfs/dbraw/zinc/95/46/18/755954618.db2.gz IPOVPQFBVZUIII-WBVHZDCISA-N 1 1 332.448 0.272 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001051598112 762432112 /nfs/dbraw/zinc/43/21/12/762432112.db2.gz MFKCBLFDUURZKK-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1nnnn1CC1CCOCC1 ZINC001126916075 755982277 /nfs/dbraw/zinc/98/22/77/755982277.db2.gz MSFFSNQIVGDZDN-UHFFFAOYSA-N 1 1 348.451 0.355 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1 ZINC001076012410 755993372 /nfs/dbraw/zinc/99/33/72/755993372.db2.gz FADKMYFBKFWKQU-GOEBONIOSA-N 1 1 346.431 0.612 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001076028523 756016198 /nfs/dbraw/zinc/01/61/98/756016198.db2.gz FPECUOHYDWLEJR-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001076028523 756016204 /nfs/dbraw/zinc/01/62/04/756016204.db2.gz FPECUOHYDWLEJR-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CC3CCOCC3)C2)C1=O ZINC001010403728 756086352 /nfs/dbraw/zinc/08/63/52/756086352.db2.gz VJIDYCFUJKURIF-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CC3CCOCC3)C2)C1=O ZINC001010403728 756086356 /nfs/dbraw/zinc/08/63/56/756086356.db2.gz VJIDYCFUJKURIF-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)C#CC2CC2)CC3)C1 ZINC001014285235 762443266 /nfs/dbraw/zinc/44/32/66/762443266.db2.gz PYWGQOPKAJZRPW-FCEWJHQRSA-N 1 1 329.444 0.991 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001076126049 756115691 /nfs/dbraw/zinc/11/56/91/756115691.db2.gz KAIJACRUJLNYNO-YESZJQIVSA-N 1 1 338.411 0.727 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001076126049 756115694 /nfs/dbraw/zinc/11/56/94/756115694.db2.gz KAIJACRUJLNYNO-YESZJQIVSA-N 1 1 338.411 0.727 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001010428007 756125805 /nfs/dbraw/zinc/12/58/05/756125805.db2.gz OHHPTRIVIREIKL-SJORKVTESA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3cc(F)ccc3C#N)C2)C1 ZINC001010428007 756125808 /nfs/dbraw/zinc/12/58/08/756125808.db2.gz OHHPTRIVIREIKL-SJORKVTESA-N 1 1 346.406 0.718 20 30 ECEDMO CC(C)N1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010476621 756166705 /nfs/dbraw/zinc/16/67/05/756166705.db2.gz HZMKJYANYYTXQB-ZFWWWQNUSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010476621 756166709 /nfs/dbraw/zinc/16/67/09/756166709.db2.gz HZMKJYANYYTXQB-ZFWWWQNUSA-N 1 1 329.404 0.700 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC(=O)C1 ZINC001010496260 756183502 /nfs/dbraw/zinc/18/35/02/756183502.db2.gz LRQHVVHEUBRXCI-WBVHZDCISA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC(=O)C1 ZINC001010496260 756183506 /nfs/dbraw/zinc/18/35/06/756183506.db2.gz LRQHVVHEUBRXCI-WBVHZDCISA-N 1 1 343.402 0.894 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)c1 ZINC001010497494 756185120 /nfs/dbraw/zinc/18/51/20/756185120.db2.gz LMMRHWNGDQUANF-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1CCNC(=O)C1 ZINC001010500966 756188805 /nfs/dbraw/zinc/18/88/05/756188805.db2.gz ZEWCDVCKJJSSMX-SJORKVTESA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCNC(=O)C1 ZINC001010500966 756188808 /nfs/dbraw/zinc/18/88/08/756188808.db2.gz ZEWCDVCKJJSSMX-SJORKVTESA-N 1 1 325.412 0.755 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cncs2)CC1 ZINC001010538514 756219812 /nfs/dbraw/zinc/21/98/12/756219812.db2.gz WECCJWNSBDKADL-ZDUSSCGKSA-N 1 1 332.429 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cncs2)CC1 ZINC001010538514 756219817 /nfs/dbraw/zinc/21/98/17/756219817.db2.gz WECCJWNSBDKADL-ZDUSSCGKSA-N 1 1 332.429 0.525 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cc1 ZINC001010548321 756228843 /nfs/dbraw/zinc/22/88/43/756228843.db2.gz XJUXYHSPQNSXRJ-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001076216766 756229566 /nfs/dbraw/zinc/22/95/66/756229566.db2.gz OGPULTDGDNHWQS-STQMWFEESA-N 1 1 331.420 0.853 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3c4n(c(=O)n3C)CCCC4)[C@@H]2C1 ZINC001076244009 756274654 /nfs/dbraw/zinc/27/46/54/756274654.db2.gz KIHUYLUYJHEYLF-GOEBONIOSA-N 1 1 342.443 0.693 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)[nH]1 ZINC001010641109 756339723 /nfs/dbraw/zinc/33/97/23/756339723.db2.gz AETKLSJLWVLZRH-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)c[nH]1 ZINC001010689774 756401716 /nfs/dbraw/zinc/40/17/16/756401716.db2.gz LUXQHOPWLPXNBF-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)c[nH]1 ZINC001010689774 756401720 /nfs/dbraw/zinc/40/17/20/756401720.db2.gz LUXQHOPWLPXNBF-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nn3)[C@@H]2C1 ZINC001076355853 756409612 /nfs/dbraw/zinc/40/96/12/756409612.db2.gz HVYNSSORYFAEKX-GOEBONIOSA-N 1 1 336.399 0.832 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076441020 756519048 /nfs/dbraw/zinc/51/90/48/756519048.db2.gz LLVVVBVSCJUTJC-SQWLQELKSA-N 1 1 331.420 0.962 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)cn1 ZINC001076476905 756564125 /nfs/dbraw/zinc/56/41/25/756564125.db2.gz HLGFGWTWDCYYKX-USXIJHARSA-N 1 1 338.411 0.488 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)ccc1F ZINC001010842324 756592330 /nfs/dbraw/zinc/59/23/30/756592330.db2.gz PDCXZCZQGRSHTM-OCCSQVGLSA-N 1 1 332.335 0.496 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)ccc1F ZINC001010842324 756592335 /nfs/dbraw/zinc/59/23/35/756592335.db2.gz PDCXZCZQGRSHTM-OCCSQVGLSA-N 1 1 332.335 0.496 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001076510989 756604891 /nfs/dbraw/zinc/60/48/91/756604891.db2.gz ZDAOYODXDXLHBT-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C)n2cccc2)C1 ZINC000990880623 756611941 /nfs/dbraw/zinc/61/19/41/756611941.db2.gz DENCGFPULGMHJL-ZBFHGGJFSA-N 1 1 328.416 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C)n2cccc2)C1 ZINC000990880623 756611947 /nfs/dbraw/zinc/61/19/47/756611947.db2.gz DENCGFPULGMHJL-ZBFHGGJFSA-N 1 1 328.416 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001010929717 756677944 /nfs/dbraw/zinc/67/79/44/756677944.db2.gz ZUFBHHIUISIIEQ-VVLHAWIVSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001010929717 756677945 /nfs/dbraw/zinc/67/79/45/756677945.db2.gz ZUFBHHIUISIIEQ-VVLHAWIVSA-N 1 1 329.444 0.801 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)[C@@H]2C1 ZINC001076587300 756691330 /nfs/dbraw/zinc/69/13/30/756691330.db2.gz BNWDDVLTEMQQFK-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001076588328 756693733 /nfs/dbraw/zinc/69/37/33/756693733.db2.gz QODOQXNKUKVOHK-DZGCQCFKSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnc(C)n4C3)[C@@H]2C1 ZINC001076600518 756716040 /nfs/dbraw/zinc/71/60/40/756716040.db2.gz JGTRXXMCEMFPFW-HRCADAONSA-N 1 1 327.432 0.705 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@@H](CC)C(N)=O)C[C@H]32)CC1 ZINC001076605644 756724924 /nfs/dbraw/zinc/72/49/24/756724924.db2.gz LHFPKOSVDMSFMM-YESZJQIVSA-N 1 1 346.475 0.128 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](CC)SC)CC1 ZINC001011011483 756763423 /nfs/dbraw/zinc/76/34/23/756763423.db2.gz WHBZNDCSLBECIE-GJZGRUSLSA-N 1 1 337.489 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](CC)SC)CC1 ZINC001011011483 756763426 /nfs/dbraw/zinc/76/34/26/756763426.db2.gz WHBZNDCSLBECIE-GJZGRUSLSA-N 1 1 337.489 0.896 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011019592 756772660 /nfs/dbraw/zinc/77/26/60/756772660.db2.gz CJYIBHVRWYKSGS-JSGCOSHPSA-N 1 1 329.404 0.368 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC000996097955 756949048 /nfs/dbraw/zinc/94/90/48/756949048.db2.gz ROEXXZDSOUGPRL-OEAJRASXSA-N 1 1 341.415 0.842 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@H]3C2)cc1 ZINC001048796089 757024580 /nfs/dbraw/zinc/02/45/80/757024580.db2.gz CCDWQJGWEBBEEB-OWCLPIDISA-N 1 1 340.383 0.557 20 30 ECEDMO C=CCOCCN1CC(n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107147292 757045140 /nfs/dbraw/zinc/04/51/40/757045140.db2.gz YBPHSVHCCVNJJM-INIZCTEOSA-N 1 1 348.451 0.048 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@H]2C1 ZINC001048819615 757100002 /nfs/dbraw/zinc/10/00/02/757100002.db2.gz WQSAPHLLGGWTCI-MELADBBJSA-N 1 1 329.404 0.339 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc4c(cn3)OCCO4)C[C@H]2C1 ZINC001048867225 757231465 /nfs/dbraw/zinc/23/14/65/757231465.db2.gz DIJLEBVMLREEGK-OKILXGFUSA-N 1 1 327.384 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccns2)CC1 ZINC001011227888 757233095 /nfs/dbraw/zinc/23/30/95/757233095.db2.gz FXOCASABTNNYNT-ZDUSSCGKSA-N 1 1 332.429 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccns2)CC1 ZINC001011227888 757233099 /nfs/dbraw/zinc/23/30/99/757233099.db2.gz FXOCASABTNNYNT-ZDUSSCGKSA-N 1 1 332.429 0.525 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C4CC(OC)C4)C[C@H]3C2)C1=O ZINC001048882189 757286856 /nfs/dbraw/zinc/28/68/56/757286856.db2.gz YIGVJIRYLJYGDP-FXUHHZDVSA-N 1 1 347.459 0.589 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ncc(C#N)cc3F)C2)C1 ZINC001068464724 790324745 /nfs/dbraw/zinc/32/47/45/790324745.db2.gz YKXBDGIEQKTYRT-UXIGCNINSA-N 1 1 347.394 0.730 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ncc(C#N)cc3F)C2)C1 ZINC001068464724 790324759 /nfs/dbraw/zinc/32/47/59/790324759.db2.gz YKXBDGIEQKTYRT-UXIGCNINSA-N 1 1 347.394 0.730 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001011262181 757322255 /nfs/dbraw/zinc/32/22/55/757322255.db2.gz MDZDHHKVBGRXCE-HOCLYGCPSA-N 1 1 348.447 0.460 20 30 ECEDMO C#Cc1cncc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)NC)c1 ZINC001021377155 757364610 /nfs/dbraw/zinc/36/46/10/757364610.db2.gz WMYCASKWDJBNAU-RJCAOGMDSA-N 1 1 340.427 0.923 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C[C@H]2C1 ZINC001048910839 757365621 /nfs/dbraw/zinc/36/56/21/757365621.db2.gz LDSHSFWWCYEVBB-BETUJISGSA-N 1 1 325.372 0.691 20 30 ECEDMO CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)C1CCCC1 ZINC001076856043 757399834 /nfs/dbraw/zinc/39/98/34/757399834.db2.gz YLBGFOCNYKXLEO-ZACQAIPSSA-N 1 1 346.431 0.866 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]2C1 ZINC001048925116 757429760 /nfs/dbraw/zinc/42/97/60/757429760.db2.gz ONYLMDPQNVHSCA-BETUJISGSA-N 1 1 339.823 0.668 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3OCC(N)=O)C[C@H]2C1 ZINC001048927428 757433457 /nfs/dbraw/zinc/43/34/57/757433457.db2.gz DOOPIUKKWCRPLE-GASCZTMLSA-N 1 1 341.411 0.578 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)c1 ZINC001076885445 757464668 /nfs/dbraw/zinc/46/46/68/757464668.db2.gz AKGJJNLFFYCDSC-ZACQAIPSSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)c1 ZINC001076885445 757464675 /nfs/dbraw/zinc/46/46/75/757464675.db2.gz AKGJJNLFFYCDSC-ZACQAIPSSA-N 1 1 329.400 0.789 20 30 ECEDMO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1O ZINC001048946237 757486783 /nfs/dbraw/zinc/48/67/83/757486783.db2.gz VLDAHBUHOCEQCF-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC001011314754 757489689 /nfs/dbraw/zinc/48/96/89/757489689.db2.gz JHBZPKHTZAOMNQ-ZDUSSCGKSA-N 1 1 348.428 0.231 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC001011314754 757489693 /nfs/dbraw/zinc/48/96/93/757489693.db2.gz JHBZPKHTZAOMNQ-ZDUSSCGKSA-N 1 1 348.428 0.231 20 30 ECEDMO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001076897441 757513714 /nfs/dbraw/zinc/51/37/14/757513714.db2.gz RJLMIWALZYTTBP-ZIAGYGMSSA-N 1 1 345.428 0.935 20 30 ECEDMO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001076897441 757513725 /nfs/dbraw/zinc/51/37/25/757513725.db2.gz RJLMIWALZYTTBP-ZIAGYGMSSA-N 1 1 345.428 0.935 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@H]2C1 ZINC001048960631 757522784 /nfs/dbraw/zinc/52/27/84/757522784.db2.gz GQPFKUREUMBAOW-OTWHNJEPSA-N 1 1 345.487 0.901 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3CCCC)C[C@H]2C1 ZINC001048960813 757525049 /nfs/dbraw/zinc/52/50/49/757525049.db2.gz NMAWQDOGXUFQRT-FGTMMUONSA-N 1 1 333.476 0.901 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)c[nH]1 ZINC001076907228 757563855 /nfs/dbraw/zinc/56/38/55/757563855.db2.gz GFZRGPYFAQSYSW-BZUAXINKSA-N 1 1 332.404 0.620 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)C[C@H]2C1 ZINC001048975993 757575974 /nfs/dbraw/zinc/57/59/74/757575974.db2.gz CVYLNPFQPAXNMJ-GASCZTMLSA-N 1 1 328.420 0.356 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001048977139 757579408 /nfs/dbraw/zinc/57/94/08/757579408.db2.gz NFSYBLQYAJGXMC-PMPSAXMXSA-N 1 1 339.480 0.959 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@H]3C2)cc1 ZINC001048978031 757584291 /nfs/dbraw/zinc/58/42/91/757584291.db2.gz SLWQYBWWDXRJEI-IXDOHACOSA-N 1 1 338.411 0.585 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC001021555780 757597751 /nfs/dbraw/zinc/59/77/51/757597751.db2.gz NHRBTGALWAAQDY-HOCLYGCPSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001021590672 757653933 /nfs/dbraw/zinc/65/39/33/757653933.db2.gz GNTMYASNOFRRDU-HUUCEWRRSA-N 1 1 344.463 0.917 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001021596176 757664352 /nfs/dbraw/zinc/66/43/52/757664352.db2.gz HOXJHPSDLJZRJM-UKRRQHHQSA-N 1 1 326.462 0.920 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021604836 757677258 /nfs/dbraw/zinc/67/72/58/757677258.db2.gz HAPZWQODXWFSCP-HZPDHXFCSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021608029 757681244 /nfs/dbraw/zinc/68/12/44/757681244.db2.gz ZFISHMXYTMCTQI-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021626426 757706452 /nfs/dbraw/zinc/70/64/52/757706452.db2.gz GASNMFDUCIMCLW-KBPBESRZSA-N 1 1 332.404 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)/C=C(/C)CC)C[C@@H]1O ZINC001049018939 757707960 /nfs/dbraw/zinc/70/79/60/757707960.db2.gz AZIDONGPWGUPLX-AMVSTDRPSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)/C=C(/C)CC)C[C@@H]1O ZINC001049018939 757707970 /nfs/dbraw/zinc/70/79/70/757707970.db2.gz AZIDONGPWGUPLX-AMVSTDRPSA-N 1 1 347.459 0.470 20 30 ECEDMO C=CCCC1(C(=O)NCc2cn(C3C[NH+](CCCO)C3)nn2)CC1 ZINC001107206069 757709071 /nfs/dbraw/zinc/70/90/71/757709071.db2.gz IHBVBKVMDPUQST-UHFFFAOYSA-N 1 1 333.436 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CCC=C)C[C@@H]1O ZINC001049019380 757710792 /nfs/dbraw/zinc/71/07/92/757710792.db2.gz JAPCNNWPYTWOBR-JYJNAYRXSA-N 1 1 333.432 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CCC=C)C[C@@H]1O ZINC001049019380 757710795 /nfs/dbraw/zinc/71/07/95/757710795.db2.gz JAPCNNWPYTWOBR-JYJNAYRXSA-N 1 1 333.432 0.080 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O ZINC001049019353 757710915 /nfs/dbraw/zinc/71/09/15/757710915.db2.gz IHLAMJNMIUDGEB-GJZGRUSLSA-N 1 1 335.448 0.160 20 30 ECEDMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001049020382 757716117 /nfs/dbraw/zinc/71/61/17/757716117.db2.gz DBMGAJGQFCFHLC-OKILXGFUSA-N 1 1 331.803 0.567 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001049023856 757726616 /nfs/dbraw/zinc/72/66/16/757726616.db2.gz LZGISFSAQUTSRW-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021713160 757848585 /nfs/dbraw/zinc/84/85/85/757848585.db2.gz MQRDOYLNGIHDOM-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)CC[C@H]32)cn1 ZINC001021717550 757855734 /nfs/dbraw/zinc/85/57/34/757855734.db2.gz PIFCPEYJIDHZOE-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nc3nccc(C)n3n2)C1 ZINC001021724077 757864142 /nfs/dbraw/zinc/86/41/42/757864142.db2.gz IXTAYPYPFFBSOW-CABCVRRESA-N 1 1 338.415 0.992 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021731417 757875597 /nfs/dbraw/zinc/87/55/97/757875597.db2.gz VHSORRHEOZYWKS-LSDHHAIUSA-N 1 1 348.447 0.769 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021732238 757877339 /nfs/dbraw/zinc/87/73/39/757877339.db2.gz CYZPMJUOGCKESW-ZFWWWQNUSA-N 1 1 346.431 0.989 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@H]2C1 ZINC001049073456 757882905 /nfs/dbraw/zinc/88/29/05/757882905.db2.gz PCGJXNDNPPPGCW-HRCADAONSA-N 1 1 344.463 0.982 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)COCCCOC)nn2)C1 ZINC001107227197 757887283 /nfs/dbraw/zinc/88/72/83/757887283.db2.gz FPGNAQUZOFATPQ-UHFFFAOYSA-N 1 1 337.424 0.380 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CC(=O)NCC3CC3)nn2)C1 ZINC001107227347 757887443 /nfs/dbraw/zinc/88/74/43/757887443.db2.gz IKGNRANFAFHORW-UHFFFAOYSA-N 1 1 346.435 0.243 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)nc1 ZINC000996527571 757895037 /nfs/dbraw/zinc/89/50/37/757895037.db2.gz JAOSPVTVOLOXPP-AWEZNQCLSA-N 1 1 339.403 0.227 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001021756522 757905613 /nfs/dbraw/zinc/90/56/13/757905613.db2.gz HXTYKHSMHUGTDC-GOEBONIOSA-N 1 1 326.400 0.740 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](NC(C)=O)C(C)C)nn2)C1 ZINC001107231360 757945867 /nfs/dbraw/zinc/94/58/67/757945867.db2.gz HWDQNRMUOUGBAM-MRXNPFEDSA-N 1 1 348.451 0.488 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]3C2)nn1 ZINC001049108846 757982437 /nfs/dbraw/zinc/98/24/37/757982437.db2.gz CHKPZLUISDRBON-VNHYZAJKSA-N 1 1 346.435 0.122 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049111756 757989480 /nfs/dbraw/zinc/98/94/80/757989480.db2.gz YZCVGOHHGAQHMR-YVSFHVDLSA-N 1 1 345.447 0.650 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001077059712 758057069 /nfs/dbraw/zinc/05/70/69/758057069.db2.gz UXXZNAVMTOLOCI-DGCLKSJQSA-N 1 1 328.363 0.867 20 30 ECEDMO COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CSCC#N)C[C@]2(C)C1 ZINC001101134922 758084713 /nfs/dbraw/zinc/08/47/13/758084713.db2.gz BQGMHBUHBNVFGC-IPYPFGDCSA-N 1 1 327.450 0.031 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 ZINC000996576295 758106611 /nfs/dbraw/zinc/10/66/11/758106611.db2.gz OALOHAVKSDPDQO-PMPSAXMXSA-N 1 1 326.400 0.853 20 30 ECEDMO CSCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107270157 758123984 /nfs/dbraw/zinc/12/39/84/758123984.db2.gz PXTDCQZJIQOXIV-CZUORRHYSA-N 1 1 338.477 0.740 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]2C1 ZINC001049154213 758151481 /nfs/dbraw/zinc/15/14/81/758151481.db2.gz ODEJNZRXOYRFKN-OKILXGFUSA-N 1 1 348.447 0.673 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)Cc4nnc[nH]4)C[C@H]3C2)c1 ZINC001049161650 758179920 /nfs/dbraw/zinc/17/99/20/758179920.db2.gz BXWSUYPDNPBMRT-IYBDPMFKSA-N 1 1 336.399 0.809 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3CN(C(=O)Cc4ncn[nH]4)C[C@H]3C2)c1 ZINC001049161650 758179929 /nfs/dbraw/zinc/17/99/29/758179929.db2.gz BXWSUYPDNPBMRT-IYBDPMFKSA-N 1 1 336.399 0.809 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)Cc4ncn[nH]4)C[C@H]3C2)c1 ZINC001049161650 758179935 /nfs/dbraw/zinc/17/99/35/758179935.db2.gz BXWSUYPDNPBMRT-IYBDPMFKSA-N 1 1 336.399 0.809 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)Cn3cccn3)CCC[C@@H]12 ZINC001107282225 758184734 /nfs/dbraw/zinc/18/47/34/758184734.db2.gz ZDNOJTZIJJMFFF-SJLPKXTDSA-N 1 1 330.432 0.894 20 30 ECEDMO Cn1cccc1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107282203 758184779 /nfs/dbraw/zinc/18/47/79/758184779.db2.gz YFMXOQMZHBXLND-CRAIPNDOSA-N 1 1 343.431 0.639 20 30 ECEDMO CO[C@H](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107323105 758243522 /nfs/dbraw/zinc/24/35/22/758243522.db2.gz OXCXASDNGSEBEM-CKEIUWERSA-N 1 1 336.436 0.412 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@](C)(O)C=C ZINC001077123893 758251669 /nfs/dbraw/zinc/25/16/69/758251669.db2.gz FKBZAUCUNCVXLE-MPGHIAIKSA-N 1 1 335.448 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@](C)(O)C=C ZINC001077123893 758251671 /nfs/dbraw/zinc/25/16/71/758251671.db2.gz FKBZAUCUNCVXLE-MPGHIAIKSA-N 1 1 335.448 0.422 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC001011669694 758259492 /nfs/dbraw/zinc/25/94/92/758259492.db2.gz SLPWEEGQPDAFTO-IAQYHMDHSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C)n1cccn1 ZINC001077124597 758287146 /nfs/dbraw/zinc/28/71/46/758287146.db2.gz ZOLKEEWPPDZZQM-XHSDSOJGSA-N 1 1 345.447 0.553 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C)n1cccn1 ZINC001077124597 758287152 /nfs/dbraw/zinc/28/71/52/758287152.db2.gz ZOLKEEWPPDZZQM-XHSDSOJGSA-N 1 1 345.447 0.553 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001077134690 758307189 /nfs/dbraw/zinc/30/71/89/758307189.db2.gz UHNSVMLWXKLJSA-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3-n3cnnn3)C[C@H]2C1 ZINC001049210036 758315956 /nfs/dbraw/zinc/31/59/56/758315956.db2.gz MUYNBIIUUHUIRQ-GASCZTMLSA-N 1 1 336.399 0.689 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccn(C)n4)C[C@H]3C2)C1=O ZINC001049214125 758336722 /nfs/dbraw/zinc/33/67/22/758336722.db2.gz BNMVKOKLIREAAO-IJEWVQPXSA-N 1 1 343.431 0.211 20 30 ECEDMO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077147885 758345256 /nfs/dbraw/zinc/34/52/56/758345256.db2.gz MGYRBQWRNZITJT-RRFJBIMHSA-N 1 1 341.452 0.309 20 30 ECEDMO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077147885 758345262 /nfs/dbraw/zinc/34/52/62/758345262.db2.gz MGYRBQWRNZITJT-RRFJBIMHSA-N 1 1 341.452 0.309 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@H]2C1 ZINC001049222961 758372619 /nfs/dbraw/zinc/37/26/19/758372619.db2.gz BWYMBYKJSOMGMJ-QLFBSQMISA-N 1 1 341.839 0.376 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001077161280 758384140 /nfs/dbraw/zinc/38/41/40/758384140.db2.gz RCGVOQJSLKJTDY-KLHDSHLOSA-N 1 1 348.447 0.625 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCO3)CCC[C@@H]12 ZINC001107359973 758389004 /nfs/dbraw/zinc/38/90/04/758389004.db2.gz SREZTVRYDAJBFB-GPMSIDNRSA-N 1 1 347.459 0.666 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049245988 758423624 /nfs/dbraw/zinc/42/36/24/758423624.db2.gz ICUWBKCDRKHAHR-ULQDDVLXSA-N 1 1 349.475 0.552 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC3(O)CCC3)CCC[C@@H]12 ZINC001107395792 758456471 /nfs/dbraw/zinc/45/64/71/758456471.db2.gz OQQBFOQRULYCDA-CRAIPNDOSA-N 1 1 349.475 0.955 20 30 ECEDMO Cc1c[nH]nc1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107396891 758458404 /nfs/dbraw/zinc/45/84/04/758458404.db2.gz MUOTVYZSRCPNOB-CXAGYDPISA-N 1 1 344.419 0.332 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(C)CC)CC2 ZINC001107401368 758498500 /nfs/dbraw/zinc/49/85/00/758498500.db2.gz KLRZHWVMBWJFCX-GPMSIDNRSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001077210443 758522347 /nfs/dbraw/zinc/52/23/47/758522347.db2.gz BBCNQUYHJZNMNO-CGTJXYLNSA-N 1 1 327.428 0.698 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001077210443 758522356 /nfs/dbraw/zinc/52/23/56/758522356.db2.gz BBCNQUYHJZNMNO-CGTJXYLNSA-N 1 1 327.428 0.698 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001077210966 758523627 /nfs/dbraw/zinc/52/36/27/758523627.db2.gz ZMOHOTSCNOGERM-KBAYOESNSA-N 1 1 327.428 0.698 20 30 ECEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)NC[C@]12CCC[C@H]1N(CC#N)CC2 ZINC001107435809 758560702 /nfs/dbraw/zinc/56/07/02/758560702.db2.gz BAOICRATSOOUOJ-LZLYRXPVSA-N 1 1 344.463 0.698 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3C(=O)CCC3=O)CCC[C@@H]12 ZINC001107430120 758571613 /nfs/dbraw/zinc/57/16/13/758571613.db2.gz XKXXCTJKHPNFLC-SPYBWZPUSA-N 1 1 345.443 0.908 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)CC(N)=O)c1 ZINC001049382429 758604343 /nfs/dbraw/zinc/60/43/43/758604343.db2.gz ONDABUPVIGGAOK-HOTGVXAUSA-N 1 1 326.400 0.999 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]c(C)n2)nc1 ZINC001105908270 762645973 /nfs/dbraw/zinc/64/59/73/762645973.db2.gz LZBMPQAFLDEMAY-CQSZACIVSA-N 1 1 325.372 0.673 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)C1=O ZINC000996726697 758641714 /nfs/dbraw/zinc/64/17/14/758641714.db2.gz ZDRBIRARDVMVQJ-IRXDYDNUSA-N 1 1 348.491 0.838 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCn3ncn(C)c3=O)CCC[C@@H]12 ZINC001107487649 758725665 /nfs/dbraw/zinc/72/56/65/758725665.db2.gz YFVOSBJVDBOBBY-CRAIPNDOSA-N 1 1 345.447 0.356 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)CCC[C@@H]12 ZINC001107511802 758787180 /nfs/dbraw/zinc/78/71/80/758787180.db2.gz VRZQAXZGIQQCIZ-OYNZLANYSA-N 1 1 332.444 0.889 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](Cn1cccn1)N(C)C ZINC001049517920 758845039 /nfs/dbraw/zinc/84/50/39/758845039.db2.gz NMADOLWZYORTAE-BRWVUGGUSA-N 1 1 329.448 0.512 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001049549559 758909801 /nfs/dbraw/zinc/90/98/01/758909801.db2.gz YVAGOUUHMXBWGW-RLFYNMQTSA-N 1 1 339.480 0.961 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 ZINC001049559978 758922876 /nfs/dbraw/zinc/92/28/76/758922876.db2.gz YYBMTSZCFRYZDA-HOTGVXAUSA-N 1 1 334.464 0.402 20 30 ECEDMO CCCN(CCNC(=O)Cn1cc[nH+]c1C)c1ccnc(C#N)n1 ZINC001101147344 758955478 /nfs/dbraw/zinc/95/54/78/758955478.db2.gz UAEXNABNCUKBOF-UHFFFAOYSA-N 1 1 327.392 0.886 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001049583834 758961648 /nfs/dbraw/zinc/96/16/48/758961648.db2.gz ZUKDBZNWOBIJCX-OWCLPIDISA-N 1 1 332.448 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCCCS1(=O)=O ZINC001049596966 758977162 /nfs/dbraw/zinc/97/71/62/758977162.db2.gz YCGUGDWWVJMRKN-GJZGRUSLSA-N 1 1 339.461 0.111 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cncc(-n2ccnn2)c1 ZINC001049616385 758999079 /nfs/dbraw/zinc/99/90/79/758999079.db2.gz UXXYRAYHWKAZMZ-SJORKVTESA-N 1 1 336.399 0.974 20 30 ECEDMO CO[C@@H](C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC3CC3)C2)nn1 ZINC001098669577 759031626 /nfs/dbraw/zinc/03/16/26/759031626.db2.gz UTHOINCNHWXPBE-XJKSGUPXSA-N 1 1 331.420 0.589 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)nc3ccnn3c2C)[C@@H](O)C1 ZINC001083586084 759109362 /nfs/dbraw/zinc/10/93/62/759109362.db2.gz BQLAALGBHYHFRA-KGLIPLIRSA-N 1 1 329.404 0.697 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C)o3)C2)nn1 ZINC001022836174 759156664 /nfs/dbraw/zinc/15/66/64/759156664.db2.gz YEVPTLKTDXAGKB-TXEJJXNPSA-N 1 1 331.380 0.596 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OC)ncn3)C2)C1=O ZINC001014438448 762687968 /nfs/dbraw/zinc/68/79/68/762687968.db2.gz IAGXWPQDKYYDAM-GXTWGEPZSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(OC)ncn3)C2)C1=O ZINC001014438448 762687972 /nfs/dbraw/zinc/68/79/72/762687972.db2.gz IAGXWPQDKYYDAM-GXTWGEPZSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001049767354 759180654 /nfs/dbraw/zinc/18/06/54/759180654.db2.gz FWYGUAISOHFXDL-OLZOCXBDSA-N 1 1 348.403 0.048 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(N)=O)cc1 ZINC001049770081 759183649 /nfs/dbraw/zinc/18/36/49/759183649.db2.gz NZFGFGGQRCCVGH-IRXDYDNUSA-N 1 1 341.411 0.863 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(N)=O)cc1 ZINC001049770081 759183656 /nfs/dbraw/zinc/18/36/56/759183656.db2.gz NZFGFGGQRCCVGH-IRXDYDNUSA-N 1 1 341.411 0.863 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049839574 759278564 /nfs/dbraw/zinc/27/85/64/759278564.db2.gz IVSLEBKNGAPXGW-RYUDHWBXSA-N 1 1 346.387 0.599 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049842978 759288370 /nfs/dbraw/zinc/28/83/70/759288370.db2.gz ZHZBCHYATLBZJA-QWRGUYRKSA-N 1 1 332.360 0.209 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001049866251 759316949 /nfs/dbraw/zinc/31/69/49/759316949.db2.gz ZLZLSWXRERPWNS-LZWOXQAQSA-N 1 1 339.461 0.157 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001047630958 759346534 /nfs/dbraw/zinc/34/65/34/759346534.db2.gz DIQGHJYKILQXMR-PMPSAXMXSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nn3cccnc23)C1 ZINC001047631114 759347188 /nfs/dbraw/zinc/34/71/88/759347188.db2.gz ITJIYQOTHKZIBR-KBPBESRZSA-N 1 1 327.388 0.178 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049887442 759351544 /nfs/dbraw/zinc/35/15/44/759351544.db2.gz ZXABRUAWPLBYJZ-KGLIPLIRSA-N 1 1 330.388 0.188 20 30 ECEDMO Cn1nc(C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)ccc1=O ZINC001032171381 759355946 /nfs/dbraw/zinc/35/59/46/759355946.db2.gz MDVCRWSEFOJPHS-UHFFFAOYSA-N 1 1 337.383 0.514 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001047636575 759368642 /nfs/dbraw/zinc/36/86/42/759368642.db2.gz QNRKXAMWNUSHMY-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+][C@H](CC)C(N)=O)[C@H](C)C2)CC1 ZINC001107034188 759385171 /nfs/dbraw/zinc/38/51/71/759385171.db2.gz NHMYFWKPADDPHT-DJIMGWMZSA-N 1 1 348.491 0.280 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001047641267 759386216 /nfs/dbraw/zinc/38/62/16/759386216.db2.gz VAPOQTYDJJADTP-HOTGVXAUSA-N 1 1 344.415 0.972 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000991127627 759391511 /nfs/dbraw/zinc/39/15/11/759391511.db2.gz DPBBYQUNGMTYBL-AVGNSLFASA-N 1 1 325.359 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000991127627 759391519 /nfs/dbraw/zinc/39/15/19/759391519.db2.gz DPBBYQUNGMTYBL-AVGNSLFASA-N 1 1 325.359 0.312 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc[nH]c2CC)C1 ZINC000991131253 759401355 /nfs/dbraw/zinc/40/13/55/759401355.db2.gz FHKWACWYXOQTLU-INIZCTEOSA-N 1 1 328.416 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc[nH]c2CC)C1 ZINC000991131253 759401364 /nfs/dbraw/zinc/40/13/64/759401364.db2.gz FHKWACWYXOQTLU-INIZCTEOSA-N 1 1 328.416 0.615 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C(N)=O)n1 ZINC001049924465 759409450 /nfs/dbraw/zinc/40/94/50/759409450.db2.gz RSNJTXSXEFRUIM-HOTGVXAUSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(NC(C)=O)ccc2C)C1 ZINC001047650105 759410873 /nfs/dbraw/zinc/41/08/73/759410873.db2.gz QPGREASRVVVPDZ-IRXDYDNUSA-N 1 1 329.400 0.704 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(NC(C)=O)ccc2C)C1 ZINC001047650105 759410879 /nfs/dbraw/zinc/41/08/79/759410879.db2.gz QPGREASRVVVPDZ-IRXDYDNUSA-N 1 1 329.400 0.704 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cocn4)[C@@H]3C2)C1=O ZINC001050000722 759527896 /nfs/dbraw/zinc/52/78/96/759527896.db2.gz SQSRETXQSBPSTH-CWRNSKLLSA-N 1 1 344.415 0.998 20 30 ECEDMO C#CCCCC(=O)N1CCC(OC2C[NH+](C[C@H](O)COC)C2)CC1 ZINC001105706096 759555084 /nfs/dbraw/zinc/55/50/84/759555084.db2.gz RFIPWCULLQFNID-HNNXBMFYSA-N 1 1 338.448 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(OC)nc2)C1 ZINC000995507126 759650728 /nfs/dbraw/zinc/65/07/28/759650728.db2.gz CJCBQPFAWRKNDL-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(OC)nc2)C1 ZINC000995507126 759650738 /nfs/dbraw/zinc/65/07/38/759650738.db2.gz CJCBQPFAWRKNDL-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CCN(C(=O)C(F)F)C3)C2)C1=O ZINC001040981469 759768066 /nfs/dbraw/zinc/76/80/66/759768066.db2.gz QAVUUANOVXXFIS-BLLLJJGKSA-N 1 1 327.375 0.963 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CN(C)C(=O)N3)cc2C1 ZINC001054276088 767888872 /nfs/dbraw/zinc/88/88/72/767888872.db2.gz NCMZEXPLINAJOS-INIZCTEOSA-N 1 1 326.400 0.665 20 30 ECEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CN(C)C(=O)N3)cc2C1 ZINC001054276088 767888875 /nfs/dbraw/zinc/88/88/75/767888875.db2.gz NCMZEXPLINAJOS-INIZCTEOSA-N 1 1 326.400 0.665 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001050146148 759798409 /nfs/dbraw/zinc/79/84/09/759798409.db2.gz PPCGEFZMGDYEMR-HRCADAONSA-N 1 1 342.447 0.572 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@H](C(C)C)N2CC[NH+](C)CC2)C1=O ZINC000348488231 759843215 /nfs/dbraw/zinc/84/32/15/759843215.db2.gz DCRVKQPANSBCAN-LSDHHAIUSA-N 1 1 338.452 0.381 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3ccn[nH]3)CC2(C)C)C1=O ZINC000995608412 759865604 /nfs/dbraw/zinc/86/56/04/759865604.db2.gz NJOQYBJHHGOMAH-LSDHHAIUSA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993011842 767896726 /nfs/dbraw/zinc/89/67/26/767896726.db2.gz IOWNVIIIXZJNOA-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)NCc3cnon3)C2)CC1 ZINC001048070033 759912356 /nfs/dbraw/zinc/91/23/56/759912356.db2.gz YOSUCBDRJZNJAY-HOCLYGCPSA-N 1 1 345.447 0.741 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)[C@@H]2C1 ZINC001050199564 759924003 /nfs/dbraw/zinc/92/40/03/759924003.db2.gz YNYRPHCUGRMMOZ-GOEBONIOSA-N 1 1 328.416 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(C)C)C1 ZINC001048102983 759940552 /nfs/dbraw/zinc/94/05/52/759940552.db2.gz PKIUOTJHSYWCAN-JYJNAYRXSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(C)C)C1 ZINC001048102983 759940558 /nfs/dbraw/zinc/94/05/58/759940558.db2.gz PKIUOTJHSYWCAN-JYJNAYRXSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3CN([C@@H](C)C(N)=O)C[C@H]32)CC1 ZINC001050208600 759943742 /nfs/dbraw/zinc/94/37/42/759943742.db2.gz PKVKXOAYYSHIPN-BHYGNILZSA-N 1 1 346.475 0.128 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001050224533 759976075 /nfs/dbraw/zinc/97/60/75/759976075.db2.gz ZOAOXZMKDBDJIH-ZIAGYGMSSA-N 1 1 331.420 0.638 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993015811 767906874 /nfs/dbraw/zinc/90/68/74/767906874.db2.gz PNFVCPQTBRJMRD-WBVHZDCISA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993015811 767906877 /nfs/dbraw/zinc/90/68/77/767906877.db2.gz PNFVCPQTBRJMRD-WBVHZDCISA-N 1 1 338.415 0.694 20 30 ECEDMO Cc1nnc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)[nH]1 ZINC000995684468 760040740 /nfs/dbraw/zinc/04/07/40/760040740.db2.gz ARCCYGKUIBCUNB-ZDUSSCGKSA-N 1 1 327.392 0.953 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC001127032300 760050687 /nfs/dbraw/zinc/05/06/87/760050687.db2.gz XCFOPBBSKWPYGG-UHFFFAOYSA-N 1 1 342.399 0.179 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)c1 ZINC001012517234 760158633 /nfs/dbraw/zinc/15/86/33/760158633.db2.gz LNUNNVRYMBUYLJ-OAHLLOKOSA-N 1 1 340.427 0.832 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(CN(C(=O)CC(N)=O)C2)CC1 ZINC001050469746 760319748 /nfs/dbraw/zinc/31/97/48/760319748.db2.gz QGESIQZRQGACNR-UHFFFAOYSA-N 1 1 344.390 0.997 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CN1C(=O)C#CC1CC1 ZINC001012590062 760358580 /nfs/dbraw/zinc/35/85/80/760358580.db2.gz IBLKTNSAALUFOY-GXTWGEPZSA-N 1 1 344.415 0.869 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC001127046223 760454673 /nfs/dbraw/zinc/45/46/73/760454673.db2.gz OFYLCGRPCQOKKW-CYBMUJFWSA-N 1 1 342.399 0.178 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nncn1-c1ccccc1 ZINC001127047170 760473778 /nfs/dbraw/zinc/47/37/78/760473778.db2.gz YZJCPIPMJJCQGJ-AWEZNQCLSA-N 1 1 327.388 0.511 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001012649942 760488022 /nfs/dbraw/zinc/48/80/22/760488022.db2.gz UOYCZFVCNYGMDI-FZMZJTMJSA-N 1 1 340.387 0.811 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083722990 767954683 /nfs/dbraw/zinc/95/46/83/767954683.db2.gz QDFVUOAVLPPCOP-KURKYZTESA-N 1 1 333.476 0.968 20 30 ECEDMO C#CCNC(=O)CC(=O)NC/C=C\CNc1cc(CC)[nH+]c(C)n1 ZINC001107130792 760532516 /nfs/dbraw/zinc/53/25/16/760532516.db2.gz XOCANBAKHAAHOT-SREVYHEPSA-N 1 1 329.404 0.571 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001077440720 760623197 /nfs/dbraw/zinc/62/31/97/760623197.db2.gz SQLMAUOOVDWWNV-HUUCEWRRSA-N 1 1 345.403 0.816 20 30 ECEDMO CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC000995800170 760624202 /nfs/dbraw/zinc/62/42/02/760624202.db2.gz VROXBFHTRNCLCS-AWEZNQCLSA-N 1 1 328.420 0.748 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1O ZINC001048524028 760659999 /nfs/dbraw/zinc/65/99/99/760659999.db2.gz VUHVXHQIWLLCLL-HOTGVXAUSA-N 1 1 348.447 0.968 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(C(N)=O)cn1C)C2 ZINC001048542437 760688129 /nfs/dbraw/zinc/68/81/29/760688129.db2.gz DULKOEBPBMUVPA-YOWGUQMCSA-N 1 1 328.416 0.730 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C2 ZINC001048560955 760720134 /nfs/dbraw/zinc/72/01/34/760720134.db2.gz BAMADSDFDFBHOZ-JJTUDDRGSA-N 1 1 347.459 0.615 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001048586451 760759929 /nfs/dbraw/zinc/75/99/29/760759929.db2.gz KNMHJXODOHAUNF-MHORFTMASA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3nncn3C1)C2 ZINC001048590226 760766281 /nfs/dbraw/zinc/76/62/81/760766281.db2.gz IGKQZDFLHIJWOZ-JONQDZQNSA-N 1 1 327.432 0.833 20 30 ECEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001048590760 760767557 /nfs/dbraw/zinc/76/75/57/760767557.db2.gz ZGMHOBCJONYHQU-BTTYYORXSA-N 1 1 346.435 0.312 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001050779395 760835516 /nfs/dbraw/zinc/83/55/16/760835516.db2.gz LOUYJXAYPAMCGT-GDBMZVCRSA-N 1 1 346.431 0.585 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC000996000828 760924721 /nfs/dbraw/zinc/92/47/21/760924721.db2.gz FISJQKKXPLQGEL-VRKREXBASA-N 1 1 341.415 0.842 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2C1 ZINC001048724716 761047533 /nfs/dbraw/zinc/04/75/33/761047533.db2.gz DVKYMKZDQRNVES-BYNSBNAKSA-N 1 1 332.448 0.936 20 30 ECEDMO COCCc1noc(C[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1 ZINC001048728225 761055115 /nfs/dbraw/zinc/05/51/15/761055115.db2.gz YCGPJLISFRJJLL-UPJWGTAASA-N 1 1 333.392 0.308 20 30 ECEDMO COCCc1noc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1 ZINC001048728225 761055123 /nfs/dbraw/zinc/05/51/23/761055123.db2.gz YCGPJLISFRJJLL-UPJWGTAASA-N 1 1 333.392 0.308 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001017460552 768006341 /nfs/dbraw/zinc/00/63/41/768006341.db2.gz BXZJDHRVPFOYDV-OAHLLOKOSA-N 1 1 341.415 0.727 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1c1cnc(C#N)cn1 ZINC001050902649 761109594 /nfs/dbraw/zinc/10/95/94/761109594.db2.gz QFLSXTCBGLBRQO-SNPRPXQTSA-N 1 1 328.420 0.916 20 30 ECEDMO CCn1cc(C[N@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)nn1 ZINC001048750659 761111747 /nfs/dbraw/zinc/11/17/47/761111747.db2.gz ZMQAUJUKGQURAX-OKILXGFUSA-N 1 1 339.403 0.702 20 30 ECEDMO CCn1cc(C[N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)nn1 ZINC001048750659 761111749 /nfs/dbraw/zinc/11/17/49/761111749.db2.gz ZMQAUJUKGQURAX-OKILXGFUSA-N 1 1 339.403 0.702 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1O ZINC001048753717 761116448 /nfs/dbraw/zinc/11/64/48/761116448.db2.gz DVMUDFGIFHGWJG-HOTGVXAUSA-N 1 1 349.475 0.552 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC000991478508 761133733 /nfs/dbraw/zinc/13/37/33/761133733.db2.gz BDFSFNYKJFMXOT-CABCVRRESA-N 1 1 348.447 0.872 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000991479941 761143129 /nfs/dbraw/zinc/14/31/29/761143129.db2.gz QWMKMIWBTAKMNN-PMPSAXMXSA-N 1 1 335.448 0.777 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1ocnc1C ZINC001050961548 761229395 /nfs/dbraw/zinc/22/93/95/761229395.db2.gz CQCIYBWUGZORPP-HOTGVXAUSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1ocnc1C ZINC001050961548 761229398 /nfs/dbraw/zinc/22/93/98/761229398.db2.gz CQCIYBWUGZORPP-HOTGVXAUSA-N 1 1 346.431 0.398 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1nccs1 ZINC001050962038 761230375 /nfs/dbraw/zinc/23/03/75/761230375.db2.gz DDHDMAVWKRJQQL-GJZGRUSLSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1nccs1 ZINC001050962038 761230381 /nfs/dbraw/zinc/23/03/81/761230381.db2.gz DDHDMAVWKRJQQL-GJZGRUSLSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)[C@@H](CC)NC(C)=O)CC2)C1 ZINC001105726043 761349442 /nfs/dbraw/zinc/34/94/42/761349442.db2.gz BNGFXHAKMFTMPS-QGZVFWFLSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CNC(=O)C3CCC3)CC2)C1 ZINC001105734315 761410396 /nfs/dbraw/zinc/41/03/96/761410396.db2.gz MCDUPGOYWMKJSK-UHFFFAOYSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(=O)n(CCOC)c3)CCC[C@H]12 ZINC000991542961 761485351 /nfs/dbraw/zinc/48/53/51/761485351.db2.gz SOMDMBBOUFSWLN-QFBILLFUSA-N 1 1 343.427 0.855 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)nn1 ZINC001054566589 768044028 /nfs/dbraw/zinc/04/40/28/768044028.db2.gz BEKZHWVLHQIIBB-XHDPSFHLSA-N 1 1 327.392 0.748 20 30 ECEDMO CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001051110093 761508006 /nfs/dbraw/zinc/50/80/06/761508006.db2.gz BFLJOHXQFJDWMP-RDJZCZTQSA-N 1 1 330.432 0.594 20 30 ECEDMO C=CCN1CCOC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001051190380 761652171 /nfs/dbraw/zinc/65/21/71/761652171.db2.gz ZYPJOMQXRITYFJ-INIZCTEOSA-N 1 1 327.388 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nccc(OC)n2)[C@@H]1C ZINC001051197018 761668365 /nfs/dbraw/zinc/66/83/65/761668365.db2.gz SBYJDVVMKNPUPR-ILXRZTDVSA-N 1 1 343.431 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nccc(OC)n2)[C@@H]1C ZINC001051197018 761668371 /nfs/dbraw/zinc/66/83/71/761668371.db2.gz SBYJDVVMKNPUPR-ILXRZTDVSA-N 1 1 343.431 0.666 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001051207943 761689957 /nfs/dbraw/zinc/68/99/57/761689957.db2.gz ZEGPUXKSYMKOBS-CVEARBPZSA-N 1 1 346.431 0.585 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2Cc2cccc(C#N)c2)C1 ZINC001051239270 761739885 /nfs/dbraw/zinc/73/98/85/761739885.db2.gz AJVBRHLITQWSDH-QZTJIDSGSA-N 1 1 342.443 0.827 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001051249474 761761773 /nfs/dbraw/zinc/76/17/73/761761773.db2.gz GEKRGOCXDHHHAC-HOTGVXAUSA-N 1 1 339.436 0.017 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001051249474 761761775 /nfs/dbraw/zinc/76/17/75/761761775.db2.gz GEKRGOCXDHHHAC-HOTGVXAUSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCS(=O)(=O)C3)cccc2C1 ZINC001051292353 761839672 /nfs/dbraw/zinc/83/96/72/761839672.db2.gz VERRRRXVWBDFAC-MRXNPFEDSA-N 1 1 346.452 0.729 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)C3CC(=O)NC(=O)C3)cccc2C1 ZINC001051301213 761852364 /nfs/dbraw/zinc/85/23/64/761852364.db2.gz DONDZQGIIFJGNL-UHFFFAOYSA-N 1 1 339.395 0.347 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(F)ccc3n2)C1 ZINC001077461331 762723256 /nfs/dbraw/zinc/72/32/56/762723256.db2.gz UVNCLDTYINGFEW-HUUCEWRRSA-N 1 1 330.363 0.201 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(F)ccc3n2)C1 ZINC001077461331 762723260 /nfs/dbraw/zinc/72/32/60/762723260.db2.gz UVNCLDTYINGFEW-HUUCEWRRSA-N 1 1 330.363 0.201 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 ZINC001105917416 762757760 /nfs/dbraw/zinc/75/77/60/762757760.db2.gz HZGMUIVTENAWFI-CQSZACIVSA-N 1 1 334.424 0.278 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)[nH]3)C2)cc1 ZINC001051748393 762865644 /nfs/dbraw/zinc/86/56/44/762865644.db2.gz YUNTYUAJVYWYGY-INIZCTEOSA-N 1 1 339.399 0.725 20 30 ECEDMO Cc1nsc(NCC[C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001106294191 768096393 /nfs/dbraw/zinc/09/63/93/768096393.db2.gz QEWHKYSQIMWCTB-MFKMUULPSA-N 1 1 337.449 0.961 20 30 ECEDMO Cc1nsc(NCC[C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001106294191 768096400 /nfs/dbraw/zinc/09/64/00/768096400.db2.gz QEWHKYSQIMWCTB-MFKMUULPSA-N 1 1 337.449 0.961 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C3(F)CCOCC3)C2)C1=O ZINC001014659459 762967401 /nfs/dbraw/zinc/96/74/01/762967401.db2.gz OCFXTCWXJNTRHN-KGLIPLIRSA-N 1 1 339.411 0.483 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C3(F)CCOCC3)C2)C1=O ZINC001014659459 762967404 /nfs/dbraw/zinc/96/74/04/762967404.db2.gz OCFXTCWXJNTRHN-KGLIPLIRSA-N 1 1 339.411 0.483 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051803316 763001948 /nfs/dbraw/zinc/00/19/48/763001948.db2.gz LZAUNAFQSLGATF-PBHICJAKSA-N 1 1 348.451 0.927 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001089840189 763093531 /nfs/dbraw/zinc/09/35/31/763093531.db2.gz ZNXZVGHRJMTRHC-AYDFFVQHSA-N 1 1 341.411 0.799 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)cn1 ZINC001046779357 763114245 /nfs/dbraw/zinc/11/42/45/763114245.db2.gz RUTCEGPSEJKSAZ-GOSISDBHSA-N 1 1 341.415 0.282 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCO[C@H]3CC)C2)C1=O ZINC001031866392 763163932 /nfs/dbraw/zinc/16/39/32/763163932.db2.gz FOAKFSVGPAFQBF-OAGGEKHMSA-N 1 1 335.448 0.636 20 30 ECEDMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)cc1=O ZINC001014791898 763167309 /nfs/dbraw/zinc/16/73/09/763167309.db2.gz GYWPPACOGSFKPZ-MRXNPFEDSA-N 1 1 336.395 0.636 20 30 ECEDMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1=O ZINC001014791898 763167312 /nfs/dbraw/zinc/16/73/12/763167312.db2.gz GYWPPACOGSFKPZ-MRXNPFEDSA-N 1 1 336.395 0.636 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ncccc3C#N)C2)C1 ZINC001046829671 763188180 /nfs/dbraw/zinc/18/81/80/763188180.db2.gz IQSXDMLEQUPNLJ-BPUTZDHNSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ncccc3C#N)C2)C1 ZINC001046829671 763188185 /nfs/dbraw/zinc/18/81/85/763188185.db2.gz IQSXDMLEQUPNLJ-BPUTZDHNSA-N 1 1 343.431 0.981 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C#N)cn1 ZINC001046830495 763189478 /nfs/dbraw/zinc/18/94/78/763189478.db2.gz YHLBBVZJYIVQFN-IIAWOOMASA-N 1 1 327.432 0.942 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C#N)cn1 ZINC001046830493 763189801 /nfs/dbraw/zinc/18/98/01/763189801.db2.gz YHLBBVZJYIVQFN-DZKIICNBSA-N 1 1 327.432 0.942 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)s1 ZINC001014811568 763213684 /nfs/dbraw/zinc/21/36/84/763213684.db2.gz MSAIQHZJRICUBQ-FZMZJTMJSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)s1 ZINC001014811568 763213689 /nfs/dbraw/zinc/21/36/89/763213689.db2.gz MSAIQHZJRICUBQ-FZMZJTMJSA-N 1 1 332.429 0.836 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001046848815 763224881 /nfs/dbraw/zinc/22/48/81/763224881.db2.gz PVOIKCCTZZSRNM-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001046848815 763224888 /nfs/dbraw/zinc/22/48/88/763224888.db2.gz PVOIKCCTZZSRNM-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001046885098 763298054 /nfs/dbraw/zinc/29/80/54/763298054.db2.gz BLSQAIDIIOCNJS-KDOFPFPSSA-N 1 1 345.447 0.947 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)c3[nH]nnc3C)C2)cc1C#N ZINC001031890713 763332081 /nfs/dbraw/zinc/33/20/81/763332081.db2.gz KNPJTRHFPSVZGM-UHFFFAOYSA-N 1 1 340.387 0.855 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000940527625 763368756 /nfs/dbraw/zinc/36/87/56/763368756.db2.gz BCAQMIRMIZFXDW-IAGOWNOFSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000940527625 763368764 /nfs/dbraw/zinc/36/87/64/763368764.db2.gz BCAQMIRMIZFXDW-IAGOWNOFSA-N 1 1 346.475 0.000 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046924028 763394083 /nfs/dbraw/zinc/39/40/83/763394083.db2.gz BRKZINNVZBZFKN-UONOGXRCSA-N 1 1 329.391 0.414 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046924028 763394090 /nfs/dbraw/zinc/39/40/90/763394090.db2.gz BRKZINNVZBZFKN-UONOGXRCSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001046935960 763418546 /nfs/dbraw/zinc/41/85/46/763418546.db2.gz RHGBZDPGEAPPIO-LLVKDONJSA-N 1 1 325.363 0.713 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001040925261 763419216 /nfs/dbraw/zinc/41/92/16/763419216.db2.gz UULDQSYXPAJEEN-QAPCUYQASA-N 1 1 335.448 0.210 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001046936954 763419815 /nfs/dbraw/zinc/41/98/15/763419815.db2.gz YYKKFLXQRNSBFT-LLVKDONJSA-N 1 1 327.331 0.689 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001046936954 763419821 /nfs/dbraw/zinc/41/98/21/763419821.db2.gz YYKKFLXQRNSBFT-LLVKDONJSA-N 1 1 327.331 0.689 20 30 ECEDMO COCC(=O)N1CC[C@H]([NH+]2CCN(CC#Cc3ccccc3)CC2)C1 ZINC001051954927 763440403 /nfs/dbraw/zinc/44/04/03/763440403.db2.gz AMKNTGIMGXKHGW-IBGZPJMESA-N 1 1 341.455 0.903 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001046961361 763468434 /nfs/dbraw/zinc/46/84/34/763468434.db2.gz WGIWIHYCEWWASD-QWHCGFSZSA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001046961361 763468440 /nfs/dbraw/zinc/46/84/40/763468440.db2.gz WGIWIHYCEWWASD-QWHCGFSZSA-N 1 1 327.375 0.609 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046962276 763470456 /nfs/dbraw/zinc/47/04/56/763470456.db2.gz GPDBYUZZYVGNDZ-NEPJUHHUSA-N 1 1 330.379 0.660 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001046973003 763493011 /nfs/dbraw/zinc/49/30/11/763493011.db2.gz WZEADEIOQRIDRL-RYUDHWBXSA-N 1 1 337.374 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001046973003 763493020 /nfs/dbraw/zinc/49/30/20/763493020.db2.gz WZEADEIOQRIDRL-RYUDHWBXSA-N 1 1 337.374 0.931 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)c1 ZINC000995096627 763499461 /nfs/dbraw/zinc/49/94/61/763499461.db2.gz MFIOOLWISUGYDL-HIFRSBDPSA-N 1 1 339.403 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001046985934 763515671 /nfs/dbraw/zinc/51/56/71/763515671.db2.gz KVZYPWGPALKDOG-OLZOCXBDSA-N 1 1 342.390 0.626 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001046985934 763515676 /nfs/dbraw/zinc/51/56/76/763515676.db2.gz KVZYPWGPALKDOG-OLZOCXBDSA-N 1 1 342.390 0.626 20 30 ECEDMO C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046994392 763531680 /nfs/dbraw/zinc/53/16/80/763531680.db2.gz FDUXBTYCHVJWCO-UONOGXRCSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994392 763531683 /nfs/dbraw/zinc/53/16/83/763531683.db2.gz FDUXBTYCHVJWCO-UONOGXRCSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046994599 763532138 /nfs/dbraw/zinc/53/21/38/763532138.db2.gz KDDSKEYLYULIAV-LLVKDONJSA-N 1 1 326.347 0.044 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046994599 763532147 /nfs/dbraw/zinc/53/21/47/763532147.db2.gz KDDSKEYLYULIAV-LLVKDONJSA-N 1 1 326.347 0.044 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001046997657 763538801 /nfs/dbraw/zinc/53/88/01/763538801.db2.gz CFFGAJCBNPNFQJ-LBPRGKRZSA-N 1 1 336.342 0.501 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001046997657 763538809 /nfs/dbraw/zinc/53/88/09/763538809.db2.gz CFFGAJCBNPNFQJ-LBPRGKRZSA-N 1 1 336.342 0.501 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](N2CC[NH+](CCn3cccn3)CC2)C1 ZINC001051997675 763548759 /nfs/dbraw/zinc/54/87/59/763548759.db2.gz FQQZLNGDWUVWPY-JKSUJKDBSA-N 1 1 330.436 0.261 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C1CC1)C[C@@H](C)O2 ZINC001111531931 763563900 /nfs/dbraw/zinc/56/39/00/763563900.db2.gz MGTAOAFRRPWDPJ-CQSZACIVSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001212184769 763570836 /nfs/dbraw/zinc/57/08/36/763570836.db2.gz HDZLSEWNJXFLTH-GVDBMIGSSA-N 1 1 338.448 0.801 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001089859977 763586438 /nfs/dbraw/zinc/58/64/38/763586438.db2.gz UCZAJLNWBCYRCO-AYDFFVQHSA-N 1 1 328.416 0.931 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=NC(=O)N(C)C1 ZINC001089859977 763586446 /nfs/dbraw/zinc/58/64/46/763586446.db2.gz UCZAJLNWBCYRCO-AYDFFVQHSA-N 1 1 328.416 0.931 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=NC(=O)N(C)C1 ZINC001089859977 763586455 /nfs/dbraw/zinc/58/64/55/763586455.db2.gz UCZAJLNWBCYRCO-AYDFFVQHSA-N 1 1 328.416 0.931 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCn2cncn2)C3)[nH]1 ZINC001047055283 763601404 /nfs/dbraw/zinc/60/14/04/763601404.db2.gz RFUCZYVQIAFRNB-QEJZJMRPSA-N 1 1 339.403 0.761 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccnn3C)C2)CC1 ZINC001052020784 763602912 /nfs/dbraw/zinc/60/29/12/763602912.db2.gz JPVKVDRRTBTUCB-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2cncc(C#N)n2)C1 ZINC001106003576 763603520 /nfs/dbraw/zinc/60/35/20/763603520.db2.gz DSCGGIVGSKHLKD-UKRRQHHQSA-N 1 1 346.435 0.215 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)C1 ZINC001106004159 763610511 /nfs/dbraw/zinc/61/05/11/763610511.db2.gz NIAAJRGZCFPLSO-YOEHRIQHSA-N 1 1 345.447 0.820 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052026147 763618238 /nfs/dbraw/zinc/61/82/38/763618238.db2.gz ATVQHOVRUXENGI-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cccc(C)c3=O)C2)CC1 ZINC001052029021 763625266 /nfs/dbraw/zinc/62/52/66/763625266.db2.gz WFYJPIHKCFDAMO-QGZVFWFLSA-N 1 1 344.459 0.561 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cccc(C)c3=O)C2)CC1 ZINC001052029021 763625273 /nfs/dbraw/zinc/62/52/73/763625273.db2.gz WFYJPIHKCFDAMO-QGZVFWFLSA-N 1 1 344.459 0.561 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)O1 ZINC001047071171 763628474 /nfs/dbraw/zinc/62/84/74/763628474.db2.gz HMIWPDFZANQSBV-BQGCOEIASA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)O1 ZINC001047071171 763628476 /nfs/dbraw/zinc/62/84/76/763628476.db2.gz HMIWPDFZANQSBV-BQGCOEIASA-N 1 1 343.431 0.979 20 30 ECEDMO Cc1ccn(C[C@@H](C)C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052032778 763635068 /nfs/dbraw/zinc/63/50/68/763635068.db2.gz KGYJDKZBBKEZIE-NVXWUHKLSA-N 1 1 344.463 0.570 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)COc3cc(C)on3)C2)CC1 ZINC001052037548 763655389 /nfs/dbraw/zinc/65/53/89/763655389.db2.gz NKXHVPJRWCXKAB-HNNXBMFYSA-N 1 1 332.404 0.214 20 30 ECEDMO CCc1c[nH]c(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052040463 763663145 /nfs/dbraw/zinc/66/31/45/763663145.db2.gz AOYNICCCJZWJTG-OAHLLOKOSA-N 1 1 330.436 0.257 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCn4cncc4C3)C2)CC1 ZINC001052043334 763674756 /nfs/dbraw/zinc/67/47/56/763674756.db2.gz VHPFWIWCRYRETR-IRXDYDNUSA-N 1 1 341.459 0.297 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](O)CNc1nc(C)ccc1C#N ZINC001106010419 763688283 /nfs/dbraw/zinc/68/82/83/763688283.db2.gz AETZPHYHVJFLAC-CQSZACIVSA-N 1 1 333.436 0.881 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccnc(C)n3)C2)CC1 ZINC001052053692 763720072 /nfs/dbraw/zinc/72/00/72/763720072.db2.gz PTUVJFIGUVJBSZ-SFHVURJKSA-N 1 1 341.459 0.569 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cc1F ZINC001015041277 763732124 /nfs/dbraw/zinc/73/21/24/763732124.db2.gz DJCBCRORRCNNOS-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cc1F ZINC001015041277 763732130 /nfs/dbraw/zinc/73/21/30/763732130.db2.gz DJCBCRORRCNNOS-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052068563 763763208 /nfs/dbraw/zinc/76/32/08/763763208.db2.gz JMYKOVFZKGIHDA-GJZGRUSLSA-N 1 1 342.447 0.076 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(C)n3C)C2)CC1 ZINC001052071505 763772007 /nfs/dbraw/zinc/77/20/07/763772007.db2.gz ULBWYCHVTJFVJT-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081618 763798369 /nfs/dbraw/zinc/79/83/69/763798369.db2.gz CUTQEHXXXZGOSI-ROUUACIJSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081618 763798375 /nfs/dbraw/zinc/79/83/75/763798375.db2.gz CUTQEHXXXZGOSI-ROUUACIJSA-N 1 1 332.492 0.570 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081682 763798542 /nfs/dbraw/zinc/79/85/42/763798542.db2.gz FBCXEQKJEGELEK-ZWKOTPCHSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081620 763798960 /nfs/dbraw/zinc/79/89/60/763798960.db2.gz CUTQEHXXXZGOSI-ZWKOTPCHSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081620 763798968 /nfs/dbraw/zinc/79/89/68/763798968.db2.gz CUTQEHXXXZGOSI-ZWKOTPCHSA-N 1 1 332.492 0.570 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001047234501 763823694 /nfs/dbraw/zinc/82/36/94/763823694.db2.gz WBQSEHJBJOPASX-GZBFAFLISA-N 1 1 344.419 0.376 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001047234501 763823705 /nfs/dbraw/zinc/82/37/05/763823705.db2.gz WBQSEHJBJOPASX-GZBFAFLISA-N 1 1 344.419 0.376 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001047234495 763823978 /nfs/dbraw/zinc/82/39/78/763823978.db2.gz VYJINUAXEBIVNY-LXZKKBNFSA-N 1 1 343.431 0.403 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001047234495 763823990 /nfs/dbraw/zinc/82/39/90/763823990.db2.gz VYJINUAXEBIVNY-LXZKKBNFSA-N 1 1 343.431 0.403 20 30 ECEDMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015079722 763832741 /nfs/dbraw/zinc/83/27/41/763832741.db2.gz BJKIZNPYAJRDLE-KRWDZBQOSA-N 1 1 340.427 0.644 20 30 ECEDMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015079722 763832749 /nfs/dbraw/zinc/83/27/49/763832749.db2.gz BJKIZNPYAJRDLE-KRWDZBQOSA-N 1 1 340.427 0.644 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC(C)CC3)C2)CC1 ZINC001052094072 763839057 /nfs/dbraw/zinc/83/90/57/763839057.db2.gz WRPUWZNAJQJTNM-QGZVFWFLSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)CC1 ZINC001052101992 763865614 /nfs/dbraw/zinc/86/56/14/763865614.db2.gz BVQHKDUJWYZFDF-CQSZACIVSA-N 1 1 331.420 0.132 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)CC1 ZINC001052101992 763865621 /nfs/dbraw/zinc/86/56/21/763865621.db2.gz BVQHKDUJWYZFDF-CQSZACIVSA-N 1 1 331.420 0.132 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)CC1 ZINC001052106979 763885780 /nfs/dbraw/zinc/88/57/80/763885780.db2.gz YKZBAPILMQGUOO-CVEARBPZSA-N 1 1 349.479 0.324 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)CC1 ZINC001052106979 763885787 /nfs/dbraw/zinc/88/57/87/763885787.db2.gz YKZBAPILMQGUOO-CVEARBPZSA-N 1 1 349.479 0.324 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2nccnc2C#N)C1 ZINC001106344756 768172466 /nfs/dbraw/zinc/17/24/66/768172466.db2.gz PNSZBWNEYMEHGK-OCCSQVGLSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2nccnc2C#N)C1 ZINC001106344756 768172473 /nfs/dbraw/zinc/17/24/73/768172473.db2.gz PNSZBWNEYMEHGK-OCCSQVGLSA-N 1 1 332.408 0.376 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)Oc3ccccn3)C2)CC1 ZINC001052108151 763890010 /nfs/dbraw/zinc/89/00/10/763890010.db2.gz KECVEZAXCDRHSJ-SJORKVTESA-N 1 1 342.443 0.701 20 30 ECEDMO C=C(Cl)CN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117077 763926503 /nfs/dbraw/zinc/92/65/03/763926503.db2.gz FSMOXGQLKRUJRS-HOTGVXAUSA-N 1 1 340.899 0.909 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)COc3cccc(F)c3)C2)CC1 ZINC001052117619 763927998 /nfs/dbraw/zinc/92/79/98/763927998.db2.gz VJYHOXUJKLZETE-INIZCTEOSA-N 1 1 346.406 0.947 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C2)CC1 ZINC001052117661 763928847 /nfs/dbraw/zinc/92/88/47/763928847.db2.gz WMHZCCJAWOPKPG-KRWDZBQOSA-N 1 1 342.443 0.804 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C2)CC1 ZINC001052117661 763928849 /nfs/dbraw/zinc/92/88/49/763928849.db2.gz WMHZCCJAWOPKPG-KRWDZBQOSA-N 1 1 342.443 0.804 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3noc4c3COCC4)C2)CC1 ZINC001052118260 763931658 /nfs/dbraw/zinc/93/16/58/763931658.db2.gz ASPULRISPMTFKG-AWEZNQCLSA-N 1 1 346.431 0.765 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123082 763948363 /nfs/dbraw/zinc/94/83/63/763948363.db2.gz BASYVVJCYSBCIV-WBVHZDCISA-N 1 1 329.448 0.375 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC(Nc3nccnc3C#N)C2)O1 ZINC001052124628 763952694 /nfs/dbraw/zinc/95/26/94/763952694.db2.gz QWPHNCNKDSOCKW-XZNOPERXSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC(Nc3nccnc3C#N)C2)O1 ZINC001052124628 763952703 /nfs/dbraw/zinc/95/27/03/763952703.db2.gz QWPHNCNKDSOCKW-XZNOPERXSA-N 1 1 344.419 0.374 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C2)CC1 ZINC001052131687 763962600 /nfs/dbraw/zinc/96/26/00/763962600.db2.gz WZXZDWGIYLYLEB-SJORKVTESA-N 1 1 331.460 0.655 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)CC2)cc1 ZINC001052184950 764022658 /nfs/dbraw/zinc/02/26/58/764022658.db2.gz VLLMPHJJIIBYKP-INIZCTEOSA-N 1 1 339.403 0.716 20 30 ECEDMO CO[C@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1)C1CCC1 ZINC001047337080 764043497 /nfs/dbraw/zinc/04/34/97/764043497.db2.gz CYMMEWDSMTUSFF-YESZJQIVSA-N 1 1 346.431 0.819 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001047337036 764043891 /nfs/dbraw/zinc/04/38/91/764043891.db2.gz BQNJWOVOJCZJMT-BPUTZDHNSA-N 1 1 332.404 0.573 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001047337570 764044602 /nfs/dbraw/zinc/04/46/02/764044602.db2.gz GHYRVRBYZMVSNJ-KBMXLJTQSA-N 1 1 332.404 0.573 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001052220536 764079683 /nfs/dbraw/zinc/07/96/83/764079683.db2.gz KSMYEHADDQUBQC-ZFWWWQNUSA-N 1 1 334.420 0.605 20 30 ECEDMO CN(C(=O)c1cncnc1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047357211 764100091 /nfs/dbraw/zinc/10/00/91/764100091.db2.gz RSHPAVCEHAZVKN-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)c1cncnc1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047357211 764100093 /nfs/dbraw/zinc/10/00/93/764100093.db2.gz RSHPAVCEHAZVKN-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cn[nH]c3)CC2)C1=O ZINC001052230543 764100490 /nfs/dbraw/zinc/10/04/90/764100490.db2.gz XSMUURKPWXKZSP-CABCVRRESA-N 1 1 331.420 0.781 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)nc3ccccc32)C1 ZINC001047375593 764152943 /nfs/dbraw/zinc/15/29/43/764152943.db2.gz BJCBFZLJAVYHQS-ROUUACIJSA-N 1 1 340.427 0.872 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)nc3ccccc32)C1 ZINC001047375593 764152948 /nfs/dbraw/zinc/15/29/48/764152948.db2.gz BJCBFZLJAVYHQS-ROUUACIJSA-N 1 1 340.427 0.872 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)nc3ccccc32)C1 ZINC001047375888 764154341 /nfs/dbraw/zinc/15/43/41/764154341.db2.gz KOGCWMUNODSACL-ROUUACIJSA-N 1 1 340.427 0.872 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001089867203 764167388 /nfs/dbraw/zinc/16/73/88/764167388.db2.gz HOUQFCYJWYYDJM-CFAJVAMVSA-N 1 1 340.427 0.919 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2cnn(C)n2)C1 ZINC001089866598 764168431 /nfs/dbraw/zinc/16/84/31/764168431.db2.gz DDUUMMCFNKHAGK-DKIMLUQUSA-N 1 1 341.459 0.940 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001077476396 764169156 /nfs/dbraw/zinc/16/91/56/764169156.db2.gz DRSBOKUSAOJKIC-NVXWUHKLSA-N 1 1 329.400 0.468 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnc(OC)n3)C2)C1=O ZINC001015223411 764180183 /nfs/dbraw/zinc/18/01/83/764180183.db2.gz DEHVQMFKGNLVKJ-JSGCOSHPSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(OC)n3)C2)C1=O ZINC001015223411 764180188 /nfs/dbraw/zinc/18/01/88/764180188.db2.gz DEHVQMFKGNLVKJ-JSGCOSHPSA-N 1 1 345.403 0.076 20 30 ECEDMO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001047386510 764184040 /nfs/dbraw/zinc/18/40/40/764184040.db2.gz XWWJIERNOJEWET-XGUBFFRZSA-N 1 1 329.872 0.973 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047388036 764187234 /nfs/dbraw/zinc/18/72/34/764187234.db2.gz YQPGJVUTTVCZQX-ILXRZTDVSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047388036 764187238 /nfs/dbraw/zinc/18/72/38/764187238.db2.gz YQPGJVUTTVCZQX-ILXRZTDVSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001047388775 764188802 /nfs/dbraw/zinc/18/88/02/764188802.db2.gz KWJSLAGUAILQRX-HOTGVXAUSA-N 1 1 330.432 0.289 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047392316 764195617 /nfs/dbraw/zinc/19/56/17/764195617.db2.gz BGDYNBVYBJAKIE-PMPSAXMXSA-N 1 1 349.475 0.550 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047392316 764195621 /nfs/dbraw/zinc/19/56/21/764195621.db2.gz BGDYNBVYBJAKIE-PMPSAXMXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001017617092 768198309 /nfs/dbraw/zinc/19/83/09/768198309.db2.gz KPHXKPDJTNCAMG-KSZLIROESA-N 1 1 331.460 0.938 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCCCC2=O)C1 ZINC001047401201 764223864 /nfs/dbraw/zinc/22/38/64/764223864.db2.gz HVZNUXWKELIAMH-HOTGVXAUSA-N 1 1 337.464 0.859 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCCCC2=O)C1 ZINC001047401097 764223959 /nfs/dbraw/zinc/22/39/59/764223959.db2.gz CUACCMFJOTYROP-HOTGVXAUSA-N 1 1 337.464 0.859 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)[nH]1 ZINC001052319678 764244356 /nfs/dbraw/zinc/24/43/56/764244356.db2.gz INLFHDBMQMMFPS-RISCZKNCSA-N 1 1 343.387 0.276 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001047407632 764249757 /nfs/dbraw/zinc/24/97/57/764249757.db2.gz MSQWKRONSBLBCJ-GJZGRUSLSA-N 1 1 343.383 0.272 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001047407632 764249765 /nfs/dbraw/zinc/24/97/65/764249765.db2.gz MSQWKRONSBLBCJ-GJZGRUSLSA-N 1 1 343.383 0.272 20 30 ECEDMO CC#CCNCc1cn([C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC001098784885 768203646 /nfs/dbraw/zinc/20/36/46/768203646.db2.gz MKMZTSOINXICBS-INIZCTEOSA-N 1 1 341.419 0.370 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001047414586 764272177 /nfs/dbraw/zinc/27/21/77/764272177.db2.gz NDMWGGBQHQVYHU-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001047414586 764272185 /nfs/dbraw/zinc/27/21/85/764272185.db2.gz NDMWGGBQHQVYHU-IRXDYDNUSA-N 1 1 339.399 0.408 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cscn2)C[C@@H]1O ZINC001047415312 764274046 /nfs/dbraw/zinc/27/40/46/764274046.db2.gz SISFXRGTBADWJL-JYJNAYRXSA-N 1 1 348.472 0.244 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cscn2)C[C@@H]1O ZINC001047415312 764274048 /nfs/dbraw/zinc/27/40/48/764274048.db2.gz SISFXRGTBADWJL-JYJNAYRXSA-N 1 1 348.472 0.244 20 30 ECEDMO CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106988297 764276451 /nfs/dbraw/zinc/27/64/51/764276451.db2.gz UXZXBVAWEXXIGV-UKRRQHHQSA-N 1 1 346.435 0.636 20 30 ECEDMO CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106988297 764276461 /nfs/dbraw/zinc/27/64/61/764276461.db2.gz UXZXBVAWEXXIGV-UKRRQHHQSA-N 1 1 346.435 0.636 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2cnn(C)n2)C1 ZINC001089869684 764294947 /nfs/dbraw/zinc/29/49/47/764294947.db2.gz ZJNBFFWYYZHCDO-DKIMLUQUSA-N 1 1 341.459 0.940 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)CNc2nccnc2C#N)C1 ZINC001106069545 764302470 /nfs/dbraw/zinc/30/24/70/764302470.db2.gz UGYMPZUYCYTGJM-KGLIPLIRSA-N 1 1 346.435 0.359 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)C1 ZINC001106070323 764310545 /nfs/dbraw/zinc/31/05/45/764310545.db2.gz PHZXKBSUVBUEIE-CVEARBPZSA-N 1 1 345.447 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ncn(C)n3)CC2)C1=O ZINC001052358797 764326359 /nfs/dbraw/zinc/32/63/59/764326359.db2.gz OVKVXRNXLMWLLO-KBPBESRZSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ncn(C)n3)CC2)C1=O ZINC001052358800 764326913 /nfs/dbraw/zinc/32/69/13/764326913.db2.gz OVKVXRNXLMWLLO-ZIAGYGMSSA-N 1 1 346.435 0.186 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(c4nccnc4C#N)C[C@@]3(C)C2)C1 ZINC001052365943 764339660 /nfs/dbraw/zinc/33/96/60/764339660.db2.gz MYDDSRCNDGWPCJ-IYOUNJFTSA-N 1 1 340.431 0.585 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(c4cncc(C#N)n4)C[C@@]3(C)C2)C1 ZINC001052365964 764339746 /nfs/dbraw/zinc/33/97/46/764339746.db2.gz OIFNIIVJDXXRNR-IYOUNJFTSA-N 1 1 340.431 0.585 20 30 ECEDMO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001047436852 764340256 /nfs/dbraw/zinc/34/02/56/764340256.db2.gz GDKLQDTXJSIAMI-KBPBESRZSA-N 1 1 342.827 0.606 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)nc(OC)c2)C1 ZINC001047444174 764364116 /nfs/dbraw/zinc/36/41/16/764364116.db2.gz ZFYRGIKVWUBQKR-KBPBESRZSA-N 1 1 335.404 0.792 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)CC2)cc1 ZINC001052379901 764370547 /nfs/dbraw/zinc/37/05/47/764370547.db2.gz SCXNEZLKVAOGOW-MRXNPFEDSA-N 1 1 339.403 0.716 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccc(C)cc1=O ZINC001089872762 764437795 /nfs/dbraw/zinc/43/77/95/764437795.db2.gz JMJYIHZAXLIOMF-MHORFTMASA-N 1 1 339.439 0.959 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001047479386 764466074 /nfs/dbraw/zinc/46/60/74/764466074.db2.gz OYDQKASEAMRAAT-HOTGVXAUSA-N 1 1 339.399 0.408 20 30 ECEDMO NC(=O)c1c[nH]c(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001032075774 764470087 /nfs/dbraw/zinc/47/00/87/764470087.db2.gz VCPGNLWUDQKQCX-UHFFFAOYSA-N 1 1 336.395 0.827 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001047483243 764480855 /nfs/dbraw/zinc/48/08/55/764480855.db2.gz DVKORYCBFGTKQS-KBPBESRZSA-N 1 1 334.424 0.022 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001047483243 764480861 /nfs/dbraw/zinc/48/08/61/764480861.db2.gz DVKORYCBFGTKQS-KBPBESRZSA-N 1 1 334.424 0.022 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CNC(=O)C1 ZINC001015379979 764484723 /nfs/dbraw/zinc/48/47/23/764484723.db2.gz ZBNVFYVNAFXSJL-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CNC(=O)C1 ZINC001015379979 764484728 /nfs/dbraw/zinc/48/47/28/764484728.db2.gz ZBNVFYVNAFXSJL-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cn(CCC)nn3)C2)C1=O ZINC001032080876 764493336 /nfs/dbraw/zinc/49/33/36/764493336.db2.gz RJIBWXXAMIGUIU-HNNXBMFYSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001047501851 764529395 /nfs/dbraw/zinc/52/93/95/764529395.db2.gz XYYSPRNFBOVWBX-STQMWFEESA-N 1 1 331.376 0.357 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001047503119 764532626 /nfs/dbraw/zinc/53/26/26/764532626.db2.gz VPPHHZNEJVYJDZ-ROUUACIJSA-N 1 1 340.427 0.872 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001047503119 764532631 /nfs/dbraw/zinc/53/26/31/764532631.db2.gz VPPHHZNEJVYJDZ-ROUUACIJSA-N 1 1 340.427 0.872 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503983 764535616 /nfs/dbraw/zinc/53/56/16/764535616.db2.gz ULYJMCGXMDNVHK-RDBSUJKOSA-N 1 1 349.397 0.950 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]2O)C1 ZINC001047519695 764574250 /nfs/dbraw/zinc/57/42/50/764574250.db2.gz MYOKFQBSZAPBRW-PMPSAXMXSA-N 1 1 349.475 0.856 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]2O)C1 ZINC001047519695 764574257 /nfs/dbraw/zinc/57/42/57/764574257.db2.gz MYOKFQBSZAPBRW-PMPSAXMXSA-N 1 1 349.475 0.856 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](CC)OC)C[C@@H]2O)c1 ZINC001047520766 764578409 /nfs/dbraw/zinc/57/84/09/764578409.db2.gz BNZWSKMNDMVZRZ-ULQDDVLXSA-N 1 1 331.416 0.605 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001047521206 764578781 /nfs/dbraw/zinc/57/87/81/764578781.db2.gz NXHUUPQQPHMRHM-HOTGVXAUSA-N 1 1 331.416 0.408 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001047521206 764578787 /nfs/dbraw/zinc/57/87/87/764578787.db2.gz NXHUUPQQPHMRHM-HOTGVXAUSA-N 1 1 331.416 0.408 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCOCC1 ZINC001089876180 764614243 /nfs/dbraw/zinc/61/42/43/764614243.db2.gz QAMRPAYADLYPMF-FJIDUMEYSA-N 1 1 345.487 0.899 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001077481720 764627779 /nfs/dbraw/zinc/62/77/79/764627779.db2.gz BYGRCRCQEURTIL-HUUCEWRRSA-N 1 1 329.404 0.628 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001077481720 764627788 /nfs/dbraw/zinc/62/77/88/764627788.db2.gz BYGRCRCQEURTIL-HUUCEWRRSA-N 1 1 329.404 0.628 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001047552120 764671275 /nfs/dbraw/zinc/67/12/75/764671275.db2.gz DNOIITIIDNBKMS-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(N3CCCC3)n2)C1 ZINC001047553123 764674728 /nfs/dbraw/zinc/67/47/28/764674728.db2.gz OGHSXRVBZPLNJC-HOTGVXAUSA-N 1 1 343.431 0.217 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(N3CCCC3)n2)C1 ZINC001047553123 764674732 /nfs/dbraw/zinc/67/47/32/764674732.db2.gz OGHSXRVBZPLNJC-HOTGVXAUSA-N 1 1 343.431 0.217 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2noc3ccc(F)cc32)C1 ZINC001047557917 764689228 /nfs/dbraw/zinc/68/92/28/764689228.db2.gz QDBUHUIRHWBMDE-GJZGRUSLSA-N 1 1 331.347 0.646 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2noc3ccc(F)cc32)C1 ZINC001047557917 764689232 /nfs/dbraw/zinc/68/92/32/764689232.db2.gz QDBUHUIRHWBMDE-GJZGRUSLSA-N 1 1 331.347 0.646 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)OC)C[C@@H]2O)nn1 ZINC001047557795 764689457 /nfs/dbraw/zinc/68/94/57/764689457.db2.gz MYJNGYSDLZCIMQ-QEJZJMRPSA-N 1 1 337.424 0.006 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001089885964 764696333 /nfs/dbraw/zinc/69/63/33/764696333.db2.gz KWWMUZQVRINPTB-AJNGGQMLSA-N 1 1 346.431 0.283 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001047568028 764715885 /nfs/dbraw/zinc/71/58/85/764715885.db2.gz HCRAWASFTBFTSF-XYJFISCASA-N 1 1 328.412 0.907 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001047568028 764715895 /nfs/dbraw/zinc/71/58/95/764715895.db2.gz HCRAWASFTBFTSF-XYJFISCASA-N 1 1 328.412 0.907 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(cnn3C)c2)C1 ZINC001047577024 764751090 /nfs/dbraw/zinc/75/10/90/764751090.db2.gz XEKIDPZDLJUKAL-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(cnn3C)c2)C1 ZINC001047577024 764751097 /nfs/dbraw/zinc/75/10/97/764751097.db2.gz XEKIDPZDLJUKAL-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H]3CCCN(C)C3=O)C2)nc1 ZINC001032134784 764782547 /nfs/dbraw/zinc/78/25/47/764782547.db2.gz BMARRJLMLHGEOS-INIZCTEOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001032138196 764791824 /nfs/dbraw/zinc/79/18/24/764791824.db2.gz PZRVIDFFUMBQFR-GFCCVEGCSA-N 1 1 326.400 0.392 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001047588898 764793423 /nfs/dbraw/zinc/79/34/23/764793423.db2.gz UVROODDHDHEPIL-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001052583343 764797539 /nfs/dbraw/zinc/79/75/39/764797539.db2.gz GVWRTPZQBZZUBK-HIFRSBDPSA-N 1 1 329.404 0.360 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)CC1 ZINC001052589543 764810230 /nfs/dbraw/zinc/81/02/30/764810230.db2.gz KGXNEPGYGDUSAM-HUUCEWRRSA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001052599533 764830070 /nfs/dbraw/zinc/83/00/70/764830070.db2.gz NNGUYTVFLFYCSN-ZBFHGGJFSA-N 1 1 346.431 0.442 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001047601854 764845383 /nfs/dbraw/zinc/84/53/83/764845383.db2.gz OAOBXNUZXMLXNB-HOTGVXAUSA-N 1 1 331.416 0.867 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)NC1=O ZINC001015514342 764849693 /nfs/dbraw/zinc/84/96/93/764849693.db2.gz PQZXTJCKMOXEQN-ZFWWWQNUSA-N 1 1 345.378 0.411 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)NC1=O ZINC001015514342 764849697 /nfs/dbraw/zinc/84/96/97/764849697.db2.gz PQZXTJCKMOXEQN-ZFWWWQNUSA-N 1 1 345.378 0.411 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccccc3O2)C1 ZINC001047618653 764896662 /nfs/dbraw/zinc/89/66/62/764896662.db2.gz JLNWQKZZNQIBLF-GRDNDAEWSA-N 1 1 332.400 0.906 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC001052637260 764908497 /nfs/dbraw/zinc/90/84/97/764908497.db2.gz IGRMVJYNJGWOLX-HNNXBMFYSA-N 1 1 339.403 0.866 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001052714406 765033875 /nfs/dbraw/zinc/03/38/75/765033875.db2.gz PFBRQUGMEDTANZ-TUAOUCFPSA-N 1 1 344.253 0.987 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001052714406 765033879 /nfs/dbraw/zinc/03/38/79/765033879.db2.gz PFBRQUGMEDTANZ-TUAOUCFPSA-N 1 1 344.253 0.987 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001015601558 765038307 /nfs/dbraw/zinc/03/83/07/765038307.db2.gz OARFXCSNCBVNQU-HZPDHXFCSA-N 1 1 326.400 0.870 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC001052723961 765044326 /nfs/dbraw/zinc/04/43/26/765044326.db2.gz VYOCFCRBLCVWNE-IMJJTQAJSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cnnn2C)CC1 ZINC001052723961 765044333 /nfs/dbraw/zinc/04/43/33/765044333.db2.gz VYOCFCRBLCVWNE-IMJJTQAJSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001052762035 765077492 /nfs/dbraw/zinc/07/74/92/765077492.db2.gz SVLIVXJZSJKTRS-AWEZNQCLSA-N 1 1 348.447 0.635 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)s1 ZINC001015626067 765097507 /nfs/dbraw/zinc/09/75/07/765097507.db2.gz HAPRAQJVPLQAAY-JTQLQIEISA-N 1 1 329.385 0.707 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)s1 ZINC001015626067 765097514 /nfs/dbraw/zinc/09/75/14/765097514.db2.gz HAPRAQJVPLQAAY-JTQLQIEISA-N 1 1 329.385 0.707 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786270 765118586 /nfs/dbraw/zinc/11/85/86/765118586.db2.gz SFXXBRXONWFYDE-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CCC(=O)N1 ZINC001015663981 765139722 /nfs/dbraw/zinc/13/97/22/765139722.db2.gz ZOMBNPNAXLRJDE-YJBOKZPZSA-N 1 1 326.400 0.917 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CCC(=O)N1 ZINC001015663981 765139724 /nfs/dbraw/zinc/13/97/24/765139724.db2.gz ZOMBNPNAXLRJDE-YJBOKZPZSA-N 1 1 326.400 0.917 20 30 ECEDMO N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)c[nH]1 ZINC000992010817 765147839 /nfs/dbraw/zinc/14/78/39/765147839.db2.gz POLOVVYOEQIWOV-HOTGVXAUSA-N 1 1 341.415 0.844 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)c1 ZINC001015679510 765151792 /nfs/dbraw/zinc/15/17/92/765151792.db2.gz FIBWMEKYVQOTJQ-HNNXBMFYSA-N 1 1 340.383 0.016 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)c1 ZINC001015679510 765151794 /nfs/dbraw/zinc/15/17/94/765151794.db2.gz FIBWMEKYVQOTJQ-HNNXBMFYSA-N 1 1 340.383 0.016 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C2)c1 ZINC001015679897 765151897 /nfs/dbraw/zinc/15/18/97/765151897.db2.gz PMZIZLVDOHGJSO-DLBZAZTESA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C2)c1 ZINC001015679897 765151898 /nfs/dbraw/zinc/15/18/98/765151898.db2.gz PMZIZLVDOHGJSO-DLBZAZTESA-N 1 1 340.427 0.876 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)CCNC1=O ZINC001015694998 765175645 /nfs/dbraw/zinc/17/56/45/765175645.db2.gz DPVQFBRVMHCUHQ-VQIMIIECSA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CCNC1=O ZINC001015694998 765175652 /nfs/dbraw/zinc/17/56/52/765175652.db2.gz DPVQFBRVMHCUHQ-VQIMIIECSA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CCNC1=O ZINC001015695521 765176793 /nfs/dbraw/zinc/17/67/93/765176793.db2.gz LLBXBULPWLZOPU-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CCNC1=O ZINC001015695521 765176797 /nfs/dbraw/zinc/17/67/97/765176797.db2.gz LLBXBULPWLZOPU-RDTXWAMCSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001052821683 765181799 /nfs/dbraw/zinc/18/17/99/765181799.db2.gz QNYXPXKBWQIQAW-NFAWXSAZSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC001052848976 765222353 /nfs/dbraw/zinc/22/23/53/765222353.db2.gz JIMPNYCJUYJBQT-HUUCEWRRSA-N 1 1 331.420 0.847 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)CC2)nc1 ZINC001052875332 765276392 /nfs/dbraw/zinc/27/63/92/765276392.db2.gz MMYPAUJLHXCEDQ-GDBMZVCRSA-N 1 1 326.400 0.536 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000992047554 765277899 /nfs/dbraw/zinc/27/78/99/765277899.db2.gz TWLPDPFXNAZLPS-OPFPJEHXSA-N 1 1 343.431 0.853 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC001052894521 765303440 /nfs/dbraw/zinc/30/34/40/765303440.db2.gz KNTRBHMPSJYELA-KRWDZBQOSA-N 1 1 327.428 0.927 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001017677969 768284596 /nfs/dbraw/zinc/28/45/96/768284596.db2.gz WPZZUWNBPZSYAE-MELADBBJSA-N 1 1 331.420 0.797 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001017677969 768284599 /nfs/dbraw/zinc/28/45/99/768284599.db2.gz WPZZUWNBPZSYAE-MELADBBJSA-N 1 1 331.420 0.797 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H](CC)C(N)=O)C2)cc1 ZINC001015808709 765365443 /nfs/dbraw/zinc/36/54/43/765365443.db2.gz CBEBSKKJZJANNC-HOCLYGCPSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](CC)C(N)=O)C2)cc1 ZINC001015808709 765365452 /nfs/dbraw/zinc/36/54/52/765365452.db2.gz CBEBSKKJZJANNC-HOCLYGCPSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)cc1 ZINC001015809281 765366877 /nfs/dbraw/zinc/36/68/77/765366877.db2.gz LKMSIRRIRXENMQ-MRXNPFEDSA-N 1 1 339.399 0.794 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccn(C)n3)CC2)C1=O ZINC001052931494 765371426 /nfs/dbraw/zinc/37/14/26/765371426.db2.gz WMKREAKSDBBNSR-HOCLYGCPSA-N 1 1 345.447 0.791 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992073714 765380274 /nfs/dbraw/zinc/38/02/74/765380274.db2.gz BCXDQZYRVGSDJA-MIGQKNRLSA-N 1 1 335.448 0.635 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3nc(C)n(-c4nc[nH]n4)n3)CCC[C@@H]12 ZINC000992074641 765385545 /nfs/dbraw/zinc/38/55/45/765385545.db2.gz XCGNYLFROAFKQL-MLGOLLRUSA-N 1 1 342.407 0.607 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001052946557 765400949 /nfs/dbraw/zinc/40/09/49/765400949.db2.gz VODKWTKOROQMSS-VXGBXAGGSA-N 1 1 335.857 0.401 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC001052957297 765411977 /nfs/dbraw/zinc/41/19/77/765411977.db2.gz DVMQGPVRUWZXLA-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)nc(C)n3)C2)C1=O ZINC001015838101 765413947 /nfs/dbraw/zinc/41/39/47/765413947.db2.gz HETAUTQMASXFIS-GOEBONIOSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nc(C)n3)C2)C1=O ZINC001015838101 765413957 /nfs/dbraw/zinc/41/39/57/765413957.db2.gz HETAUTQMASXFIS-GOEBONIOSA-N 1 1 343.431 0.684 20 30 ECEDMO CN(CCOCCNc1ncccc1C#N)C(=O)[C@@H]1CCC[N@H+]1C ZINC001127232484 765450934 /nfs/dbraw/zinc/45/09/34/765450934.db2.gz APTCTVQZMAYPGA-HNNXBMFYSA-N 1 1 331.420 0.934 20 30 ECEDMO CC(C)(C(N)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052989746 765467944 /nfs/dbraw/zinc/46/79/44/765467944.db2.gz UNSFFTFMSSOOFB-GASCZTMLSA-N 1 1 347.463 0.161 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001053020350 765492139 /nfs/dbraw/zinc/49/21/39/765492139.db2.gz UVHPRZMIWMUDHG-CVEARBPZSA-N 1 1 345.447 0.958 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(CC)nn3C)C2)C1=O ZINC001015897305 765511611 /nfs/dbraw/zinc/51/16/11/765511611.db2.gz LFTVHNYIEDUDDG-CABCVRRESA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(CC)nn3C)C2)C1=O ZINC001015897305 765511614 /nfs/dbraw/zinc/51/16/14/765511614.db2.gz LFTVHNYIEDUDDG-CABCVRRESA-N 1 1 345.447 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001053037320 765513182 /nfs/dbraw/zinc/51/31/82/765513182.db2.gz YMJQTWSJOTWLEY-IRXDYDNUSA-N 1 1 346.475 0.002 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(OC)nc3)C2)C1=O ZINC001015938043 765581170 /nfs/dbraw/zinc/58/11/70/765581170.db2.gz IIBUCPGOTOQRFF-KBPBESRZSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnc(OC)nc3)C2)C1=O ZINC001015938043 765581176 /nfs/dbraw/zinc/58/11/76/765581176.db2.gz IIBUCPGOTOQRFF-KBPBESRZSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001053115418 765601851 /nfs/dbraw/zinc/60/18/51/765601851.db2.gz PMBXNEFKKORKBW-LSDHHAIUSA-N 1 1 325.453 0.742 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001016018270 765724605 /nfs/dbraw/zinc/72/46/05/765724605.db2.gz GPJUFZZZQHLLKI-ZIAGYGMSSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001016018270 765724612 /nfs/dbraw/zinc/72/46/12/765724612.db2.gz GPJUFZZZQHLLKI-ZIAGYGMSSA-N 1 1 344.415 0.374 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)cn1 ZINC001016030932 765732867 /nfs/dbraw/zinc/73/28/67/765732867.db2.gz MPZWOAODZZYKQN-RHSMWYFYSA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)cn1 ZINC001016033243 765735596 /nfs/dbraw/zinc/73/55/96/765735596.db2.gz HMVRXILDKPEDHI-CVEARBPZSA-N 1 1 336.399 0.646 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001016034942 765735724 /nfs/dbraw/zinc/73/57/24/765735724.db2.gz RVDPHSFMZQBEGD-MLGOLLRUSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001016034942 765735731 /nfs/dbraw/zinc/73/57/31/765735731.db2.gz RVDPHSFMZQBEGD-MLGOLLRUSA-N 1 1 326.400 0.534 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNc2ncc(C#N)cc2F)C1 ZINC001106104758 765754108 /nfs/dbraw/zinc/75/41/08/765754108.db2.gz PJHKSIGRHHWUDO-WCQYABFASA-N 1 1 335.383 0.323 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3c4n(c(=O)n3C)CCCC4)CCC[C@@H]12 ZINC000992171980 765758660 /nfs/dbraw/zinc/75/86/60/765758660.db2.gz ZPYBGKBAWQOBBQ-DNVCBOLYSA-N 1 1 342.443 0.883 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H]2CCNC2=O)CC3)c1 ZINC000992173384 765765578 /nfs/dbraw/zinc/76/55/78/765765578.db2.gz FTJBDDBESHLBOS-GJYPPUQNSA-N 1 1 338.411 0.678 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)c1 ZINC000992175727 765773885 /nfs/dbraw/zinc/77/38/85/765773885.db2.gz JDXKYNGKDRVHTL-CRAIPNDOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)c1 ZINC000992175727 765773889 /nfs/dbraw/zinc/77/38/89/765773889.db2.gz JDXKYNGKDRVHTL-CRAIPNDOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@H](C)C(=O)NC)CC3)c1 ZINC000992182875 765797320 /nfs/dbraw/zinc/79/73/20/765797320.db2.gz YRAGJBBTXVMJHX-NRXGSXMXSA-N 1 1 340.427 0.924 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)C[N@H+]2CCC(C)(C)C2)n1 ZINC001106108420 765846901 /nfs/dbraw/zinc/84/69/01/765846901.db2.gz IOJNRHZOOOQHAR-HNNXBMFYSA-N 1 1 345.447 0.883 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@]1(CC)CCNC1=O)CCO2 ZINC001053292187 765922456 /nfs/dbraw/zinc/92/24/56/765922456.db2.gz UETDPIRPZQWEJS-GOSISDBHSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H](OC)[C@H]1CCOC1)CCO2 ZINC001053356966 766025265 /nfs/dbraw/zinc/02/52/65/766025265.db2.gz QRNUQAUYLQSVLW-JKSUJKDBSA-N 1 1 338.448 0.917 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CCO2 ZINC001053393038 766072726 /nfs/dbraw/zinc/07/27/26/766072726.db2.gz ISEJDJWXLIDESJ-INIZCTEOSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CCO2 ZINC001053393038 766072733 /nfs/dbraw/zinc/07/27/33/766072733.db2.gz ISEJDJWXLIDESJ-INIZCTEOSA-N 1 1 335.448 0.032 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001016306150 766083454 /nfs/dbraw/zinc/08/34/54/766083454.db2.gz NNJGTXXRUICWIH-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001016306150 766083460 /nfs/dbraw/zinc/08/34/60/766083460.db2.gz NNJGTXXRUICWIH-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000992261955 766092241 /nfs/dbraw/zinc/09/22/41/766092241.db2.gz BJFXVWQFNVBALC-HWOWSKLDSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001053441523 766137098 /nfs/dbraw/zinc/13/70/98/766137098.db2.gz AZZVRSYDSKULON-HOTGVXAUSA-N 1 1 337.464 0.579 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)[C@@H](O)C1 ZINC001083684733 766148871 /nfs/dbraw/zinc/14/88/71/766148871.db2.gz JBCBYYNEQAMTTJ-CVEARBPZSA-N 1 1 325.368 0.739 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)[C@@H](O)C1 ZINC001083684733 766148877 /nfs/dbraw/zinc/14/88/77/766148877.db2.gz JBCBYYNEQAMTTJ-CVEARBPZSA-N 1 1 325.368 0.739 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)[C@@H](O)C1 ZINC001083685326 766156582 /nfs/dbraw/zinc/15/65/82/766156582.db2.gz PGLUDWBSCGFWLQ-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2-n2cccc2)[C@@H](O)C1 ZINC001083687976 766244836 /nfs/dbraw/zinc/24/48/36/766244836.db2.gz UEIFNZWDNVYWJU-CABCVRRESA-N 1 1 329.404 0.562 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001045783009 766365136 /nfs/dbraw/zinc/36/51/36/766365136.db2.gz OQIULNNEJCSHRW-PBHICJAKSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2conc2C)C1 ZINC000992355731 766366533 /nfs/dbraw/zinc/36/65/33/766366533.db2.gz CMTAUTMSADQOAJ-XUJLQICISA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2conc2C)C1 ZINC000992355731 766366548 /nfs/dbraw/zinc/36/65/48/766366548.db2.gz CMTAUTMSADQOAJ-XUJLQICISA-N 1 1 344.415 0.705 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)O2 ZINC001053585211 766375925 /nfs/dbraw/zinc/37/59/25/766375925.db2.gz DOQJGFQHVHAQBH-UONOGXRCSA-N 1 1 343.855 0.419 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)O2 ZINC001053585211 766375935 /nfs/dbraw/zinc/37/59/35/766375935.db2.gz DOQJGFQHVHAQBH-UONOGXRCSA-N 1 1 343.855 0.419 20 30 ECEDMO C=CCN1CC[C@H](N2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001031666920 766392599 /nfs/dbraw/zinc/39/25/99/766392599.db2.gz UAYJGQMHMSRXET-SJORKVTESA-N 1 1 348.491 0.694 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250676 766411034 /nfs/dbraw/zinc/41/10/34/766411034.db2.gz FHZAWLRGKZWSQH-GVDBMIGSSA-N 1 1 338.448 0.249 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)nnn1CC)O2 ZINC001053611814 766432745 /nfs/dbraw/zinc/43/27/45/766432745.db2.gz ZTFVGMRLPYWPLZ-CQSZACIVSA-N 1 1 331.420 0.593 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@H]12 ZINC000992380254 766434881 /nfs/dbraw/zinc/43/48/81/766434881.db2.gz MBPIAOYJQOEJHE-YVEFUNNKSA-N 1 1 334.420 0.616 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3cncn3C1)O2 ZINC001053618931 766446991 /nfs/dbraw/zinc/44/69/91/766446991.db2.gz GIPQNUZQEQMIRQ-WBVHZDCISA-N 1 1 342.443 0.818 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@H]12 ZINC000992396413 766473633 /nfs/dbraw/zinc/47/36/33/766473633.db2.gz LZPZFAFNSJVXLX-SUMWQHHRSA-N 1 1 334.420 0.570 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992397238 766476052 /nfs/dbraw/zinc/47/60/52/766476052.db2.gz OCKRRDMBASSTER-CXAGYDPISA-N 1 1 332.404 0.017 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@H]12 ZINC000992398395 766478633 /nfs/dbraw/zinc/47/86/33/766478633.db2.gz QRFKMQGIIAAKNW-GTNSWQLSSA-N 1 1 346.387 0.647 20 30 ECEDMO CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253669 766507346 /nfs/dbraw/zinc/50/73/46/766507346.db2.gz IDVQQXAXQZUVSW-HZPDHXFCSA-N 1 1 347.463 0.760 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253669 766507352 /nfs/dbraw/zinc/50/73/52/766507352.db2.gz IDVQQXAXQZUVSW-HZPDHXFCSA-N 1 1 347.463 0.760 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001045949011 766519917 /nfs/dbraw/zinc/51/99/17/766519917.db2.gz WPUGBFSHASHZPS-KRWDZBQOSA-N 1 1 333.436 0.472 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC000992425224 766536998 /nfs/dbraw/zinc/53/69/98/766536998.db2.gz VDZMHMMADXRRLJ-FJBKBRRZSA-N 1 1 346.431 0.794 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)O2 ZINC001053666795 766541919 /nfs/dbraw/zinc/54/19/19/766541919.db2.gz JIFFMECMYMURKJ-IXDOHACOSA-N 1 1 342.443 0.897 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@H]12 ZINC000992428584 766548613 /nfs/dbraw/zinc/54/86/13/766548613.db2.gz MQHDJUGVGUPCFM-SUMWQHHRSA-N 1 1 332.404 0.065 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001045981952 766551944 /nfs/dbraw/zinc/55/19/44/766551944.db2.gz KDXNFJVYENXUMF-IEBWSBKVSA-N 1 1 347.459 0.572 20 30 ECEDMO COCC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001045989441 766565591 /nfs/dbraw/zinc/56/55/91/766565591.db2.gz JLQJXDGEFASADS-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](N3CCN(C(=O)CCC)CC3)C2)C1=O ZINC001045994619 766581759 /nfs/dbraw/zinc/58/17/59/766581759.db2.gz DSTDWIUTBAXGOQ-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]c(C)n2)nn1 ZINC001106131514 766582196 /nfs/dbraw/zinc/58/21/96/766582196.db2.gz COUCTHDRLTUFAK-LBPRGKRZSA-N 1 1 331.380 0.074 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001099168099 766608891 /nfs/dbraw/zinc/60/88/91/766608891.db2.gz IGLABIULRVHONF-LZWOXQAQSA-N 1 1 341.477 0.615 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C(C)=O)CCO3)CCC[C@H]12 ZINC000992457043 766620356 /nfs/dbraw/zinc/62/03/56/766620356.db2.gz QJHWHRIYPLCHMT-SOLBZPMBSA-N 1 1 335.448 0.923 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001046012107 766638326 /nfs/dbraw/zinc/63/83/26/766638326.db2.gz LPJUSMYJZCSJPS-DOTOQJQBSA-N 1 1 334.464 0.791 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC000992463093 766640268 /nfs/dbraw/zinc/64/02/68/766640268.db2.gz OTLCBPWPJBCNML-VQIMIIECSA-N 1 1 325.412 0.809 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC000992463093 766640273 /nfs/dbraw/zinc/64/02/73/766640273.db2.gz OTLCBPWPJBCNML-VQIMIIECSA-N 1 1 325.412 0.809 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](CCc3ccnn3C)C2)CC1 ZINC001046012816 766641601 /nfs/dbraw/zinc/64/16/01/766641601.db2.gz QICUJENGXUBERX-DOTOQJQBSA-N 1 1 344.463 0.341 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc(C)o3)CC2)C1 ZINC001046025519 766680238 /nfs/dbraw/zinc/68/02/38/766680238.db2.gz HGXGUXIQOXOQLU-HNNXBMFYSA-N 1 1 333.436 0.715 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992484033 766685873 /nfs/dbraw/zinc/68/58/73/766685873.db2.gz ZOPGHWJDJRGIRN-CXAGYDPISA-N 1 1 330.388 0.236 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nccc(C)n3)CC2)C1 ZINC001046028133 766690400 /nfs/dbraw/zinc/69/04/00/766690400.db2.gz REGCBOUSXCZOMR-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001046028177 766690488 /nfs/dbraw/zinc/69/04/88/766690488.db2.gz RWYYXWPJSCTXOU-OAHLLOKOSA-N 1 1 332.452 0.613 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001046029671 766695458 /nfs/dbraw/zinc/69/54/58/766695458.db2.gz ZCWFLBKVRRIUEU-OAHLLOKOSA-N 1 1 332.452 0.613 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cscn2)C1 ZINC001016669839 766697604 /nfs/dbraw/zinc/69/76/04/766697604.db2.gz DBVFLVWEBUIPRJ-PIMMBPRGSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cscn2)C1 ZINC001016669839 766697606 /nfs/dbraw/zinc/69/76/06/766697606.db2.gz DBVFLVWEBUIPRJ-PIMMBPRGSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2oncc2C)C1 ZINC001016670082 766698728 /nfs/dbraw/zinc/69/87/28/766698728.db2.gz HTBAEOMIOMEXBC-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2oncc2C)C1 ZINC001016670082 766698731 /nfs/dbraw/zinc/69/87/31/766698731.db2.gz HTBAEOMIOMEXBC-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)nnc2C)C1 ZINC000994752658 766702462 /nfs/dbraw/zinc/70/24/62/766702462.db2.gz ULASZOAZAAQMQE-INIZCTEOSA-N 1 1 341.415 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)nnc2C)C1 ZINC000994752658 766702467 /nfs/dbraw/zinc/70/24/67/766702467.db2.gz ULASZOAZAAQMQE-INIZCTEOSA-N 1 1 341.415 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(OC)o2)C1 ZINC000994752660 766703073 /nfs/dbraw/zinc/70/30/73/766703073.db2.gz ULMWWEZEZYTAJQ-ZDUSSCGKSA-N 1 1 331.372 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(OC)o2)C1 ZINC000994752660 766703082 /nfs/dbraw/zinc/70/30/82/766703082.db2.gz ULMWWEZEZYTAJQ-ZDUSSCGKSA-N 1 1 331.372 0.326 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cccc(F)c2)C1 ZINC000994754444 766707234 /nfs/dbraw/zinc/70/72/34/766707234.db2.gz LOWTXGGPCJGMLE-KRWDZBQOSA-N 1 1 343.402 0.793 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cccc(F)c2)C1 ZINC000994754444 766707240 /nfs/dbraw/zinc/70/72/40/766707240.db2.gz LOWTXGGPCJGMLE-KRWDZBQOSA-N 1 1 343.402 0.793 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccn(C)c2CC)C1 ZINC000994755328 766716258 /nfs/dbraw/zinc/71/62/58/766716258.db2.gz RETWLZPDJIRAPQ-KRWDZBQOSA-N 1 1 342.443 0.626 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccn(C)c2CC)C1 ZINC000994755328 766716266 /nfs/dbraw/zinc/71/62/66/766716266.db2.gz RETWLZPDJIRAPQ-KRWDZBQOSA-N 1 1 342.443 0.626 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC000994755817 766721875 /nfs/dbraw/zinc/72/18/75/766721875.db2.gz SHNDTTYPMKAERL-MVWRLGRASA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC000994755817 766721880 /nfs/dbraw/zinc/72/18/80/766721880.db2.gz SHNDTTYPMKAERL-MVWRLGRASA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2sc(C)nc2C)C1 ZINC000994756037 766722692 /nfs/dbraw/zinc/72/26/92/766722692.db2.gz TYTRVEWREFULDD-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2sc(C)nc2C)C1 ZINC000994756037 766722699 /nfs/dbraw/zinc/72/26/99/766722699.db2.gz TYTRVEWREFULDD-AWEZNQCLSA-N 1 1 346.456 0.798 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cc3nc(C4CC4)nn3C)CCC[C@@H]12 ZINC000992501369 766725203 /nfs/dbraw/zinc/72/52/03/766725203.db2.gz YDCDUEIWRNTDHY-KDOFPFPSSA-N 1 1 327.432 0.981 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001046036208 766725923 /nfs/dbraw/zinc/72/59/23/766725923.db2.gz CTXGRIMEWCRDMI-BBWFWOEESA-N 1 1 335.448 0.032 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2ccon2)C1 ZINC000994757006 766726669 /nfs/dbraw/zinc/72/66/69/766726669.db2.gz ZZUDESPRSWJGEH-HNNXBMFYSA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCc2ccon2)C1 ZINC000994757006 766726679 /nfs/dbraw/zinc/72/66/79/766726679.db2.gz ZZUDESPRSWJGEH-HNNXBMFYSA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnccc3C)CC2)C1 ZINC001046036657 766728281 /nfs/dbraw/zinc/72/82/81/766728281.db2.gz NHVLUBSPUGVRLR-GOSISDBHSA-N 1 1 326.444 0.784 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC001046037125 766730894 /nfs/dbraw/zinc/73/08/94/766730894.db2.gz SKGJZGPUIDJQSM-OAHLLOKOSA-N 1 1 343.431 0.131 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nnc(C)n4C3)CCC[C@@H]12 ZINC000992502942 766732283 /nfs/dbraw/zinc/73/22/83/766732283.db2.gz CNBPBLYGWFUNHZ-IIDMSEBBSA-N 1 1 327.432 0.895 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC001046037618 766735371 /nfs/dbraw/zinc/73/53/71/766735371.db2.gz UXGIRRGHLFOJNS-INIZCTEOSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCn4nccc43)CC2)C1 ZINC001046038695 766739421 /nfs/dbraw/zinc/73/94/21/766739421.db2.gz NCMKGQKMHIJMAQ-IAGOWNOFSA-N 1 1 341.459 0.612 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046039059 766740574 /nfs/dbraw/zinc/74/05/74/766740574.db2.gz NDONXSNDRXZJLS-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046039225 766742372 /nfs/dbraw/zinc/74/23/72/766742372.db2.gz OGQJUFXPSZAVGQ-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4nccn4C3)CC2)C1 ZINC001046040221 766744814 /nfs/dbraw/zinc/74/48/14/766744814.db2.gz HFFLBDQPGAOKPW-IRXDYDNUSA-N 1 1 341.459 0.297 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC001046040267 766746908 /nfs/dbraw/zinc/74/69/08/766746908.db2.gz ANGCUSKUODOOJA-KRWDZBQOSA-N 1 1 342.443 0.241 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2C)C1 ZINC001041999290 782576804 /nfs/dbraw/zinc/57/68/04/782576804.db2.gz WTORAPVFDQAIPT-FVQBIDKESA-N 1 1 343.431 0.615 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2C)C1 ZINC001041999290 782576809 /nfs/dbraw/zinc/57/68/09/782576809.db2.gz WTORAPVFDQAIPT-FVQBIDKESA-N 1 1 343.431 0.615 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046040559 766748272 /nfs/dbraw/zinc/74/82/72/766748272.db2.gz FAFSKTDXCXPBGO-SJORKVTESA-N 1 1 348.491 0.697 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CCC(C(N)=O)CC3)CC2)C1 ZINC001046041514 766752419 /nfs/dbraw/zinc/75/24/19/766752419.db2.gz QTWDWTVRLVKOKG-OFLPRAFFSA-N 1 1 348.491 0.683 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCCN3C)CC2)C1 ZINC001046041980 766754095 /nfs/dbraw/zinc/75/40/95/766754095.db2.gz VWZFJESPGWMVKQ-ROUUACIJSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCCN3C)CC2)C1 ZINC001046041980 766754099 /nfs/dbraw/zinc/75/40/99/766754099.db2.gz VWZFJESPGWMVKQ-ROUUACIJSA-N 1 1 332.492 0.713 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC001046042837 766757511 /nfs/dbraw/zinc/75/75/11/766757511.db2.gz NVESXULGEQYVHM-CQSZACIVSA-N 1 1 329.448 0.917 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC001046044217 766765851 /nfs/dbraw/zinc/76/58/51/766765851.db2.gz KTMNMBWXOFFSHG-DLBZAZTESA-N 1 1 346.475 0.287 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC001046044210 766766437 /nfs/dbraw/zinc/76/64/37/766766437.db2.gz KOOPSBUDHKGKCG-MRXNPFEDSA-N 1 1 342.443 0.241 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC001046047376 766777478 /nfs/dbraw/zinc/77/74/78/766777478.db2.gz NYZYOJKMTHTPSP-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C(C)C)cn3)CC2)C1 ZINC001046047992 766778986 /nfs/dbraw/zinc/77/89/86/766778986.db2.gz MXLHAZWALPYQML-MRXNPFEDSA-N 1 1 329.448 0.929 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1 ZINC001046048034 766779137 /nfs/dbraw/zinc/77/91/37/766779137.db2.gz NUBHFIGBTAGDSE-GVDBMIGSSA-N 1 1 343.475 0.928 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](CCn4cncn4)[C@H]3C2)c1 ZINC001042001273 782583251 /nfs/dbraw/zinc/58/32/51/782583251.db2.gz VFUQDPRQMMVXGZ-ZBFHGGJFSA-N 1 1 339.403 0.714 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 ZINC001046051450 766792137 /nfs/dbraw/zinc/79/21/37/766792137.db2.gz HIXBIANUDFFSLR-JKSUJKDBSA-N 1 1 349.479 0.195 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)c3cncnc3)CC2)C1 ZINC001046054387 766800421 /nfs/dbraw/zinc/80/04/21/766800421.db2.gz MGMFGTAPINIHNZ-NVXWUHKLSA-N 1 1 327.432 0.432 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC001046054550 766802712 /nfs/dbraw/zinc/80/27/12/766802712.db2.gz AEBIXSPQGOVYJI-OAHLLOKOSA-N 1 1 343.431 0.346 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC001046055479 766806809 /nfs/dbraw/zinc/80/68/09/766806809.db2.gz YNYGGBBFLHWJKQ-HNNXBMFYSA-N 1 1 345.447 0.568 20 30 ECEDMO C=C1CCC(C(=O)N2CCN([C@@H]3CC[N@H+](CC(=O)NC)C3)CC2)CC1 ZINC001046057946 766816986 /nfs/dbraw/zinc/81/69/86/766816986.db2.gz ALKZBVLNTJOZIH-QGZVFWFLSA-N 1 1 348.491 0.697 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@@H]3CC[N@H+]([C@H](CC)C(N)=O)C3)CC2)C1 ZINC001046059168 766819953 /nfs/dbraw/zinc/81/99/53/766819953.db2.gz AYHCZLRHVOIYDE-HZPDHXFCSA-N 1 1 348.491 0.825 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046059016 766821290 /nfs/dbraw/zinc/82/12/90/766821290.db2.gz XIRVYAXTWSVTFI-OAHLLOKOSA-N 1 1 334.464 0.437 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@@H]3CC[N@H+]([C@H](C)C(=O)NC)C3)CC2)C1 ZINC001046059446 766823114 /nfs/dbraw/zinc/82/31/14/766823114.db2.gz HGLHIUOXSRKLIP-HZPDHXFCSA-N 1 1 348.491 0.696 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCC4)[C@H]3C2)c1 ZINC001042000020 782579800 /nfs/dbraw/zinc/57/98/00/782579800.db2.gz KFBRYUYFYBEVHE-ZBFHGGJFSA-N 1 1 341.415 0.655 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 ZINC001046060525 766825667 /nfs/dbraw/zinc/82/56/67/766825667.db2.gz BDXVLBQSGFNHSQ-APWZRJJASA-N 1 1 348.491 0.697 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1 ZINC001046066161 766852875 /nfs/dbraw/zinc/85/28/75/766852875.db2.gz ZGTHTKRDHUPRAB-KURKYZTESA-N 1 1 331.460 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc4nncn4c3)CC2)C1 ZINC001046070094 766872195 /nfs/dbraw/zinc/87/21/95/766872195.db2.gz OXBIPZZXPDALPR-INIZCTEOSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cccc(C)c1=O)CO2 ZINC001053799796 766879034 /nfs/dbraw/zinc/87/90/34/766879034.db2.gz BVYPMYQMMPNDCE-HNNXBMFYSA-N 1 1 331.416 0.692 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3nonc3C)CC2)C1 ZINC001046073390 766885778 /nfs/dbraw/zinc/88/57/78/766885778.db2.gz DKNYJKZHZQTCMM-OAHLLOKOSA-N 1 1 333.436 0.715 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(OC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000994821999 766898159 /nfs/dbraw/zinc/89/81/59/766898159.db2.gz LUTMHNDFOMRHCG-ZIAGYGMSSA-N 1 1 348.447 0.316 20 30 ECEDMO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001089654955 766906003 /nfs/dbraw/zinc/90/60/03/766906003.db2.gz XNDUBGHTHFNPAZ-KGLIPLIRSA-N 1 1 346.435 0.400 20 30 ECEDMO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001089654955 766906009 /nfs/dbraw/zinc/90/60/09/766906009.db2.gz XNDUBGHTHFNPAZ-KGLIPLIRSA-N 1 1 346.435 0.400 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC001046077340 766907492 /nfs/dbraw/zinc/90/74/92/766907492.db2.gz MSBCLPUIMNLBMF-JKSUJKDBSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077340 766907499 /nfs/dbraw/zinc/90/74/99/766907499.db2.gz MSBCLPUIMNLBMF-JKSUJKDBSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077340 766907505 /nfs/dbraw/zinc/90/75/05/766907505.db2.gz MSBCLPUIMNLBMF-JKSUJKDBSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCCN3C(N)=O)CC2)C1 ZINC001046077605 766907655 /nfs/dbraw/zinc/90/76/55/766907655.db2.gz ORKBOXSBDAHBKT-HZPDHXFCSA-N 1 1 349.479 0.324 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](C[C@@H](C)O)C3)CC2)nc1 ZINC001046078471 766910475 /nfs/dbraw/zinc/91/04/75/766910475.db2.gz YGXYLHVKHDQESN-NVXWUHKLSA-N 1 1 342.443 0.276 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC001046078411 766910610 /nfs/dbraw/zinc/91/06/10/766910610.db2.gz WRRLESBYCFOMKD-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046078353 766910705 /nfs/dbraw/zinc/91/07/05/766910705.db2.gz LCMHFPIGIWUANS-HOTGVXAUSA-N 1 1 334.464 0.450 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](CCF)C3)CC2)nc1 ZINC001046078459 766910791 /nfs/dbraw/zinc/91/07/91/766910791.db2.gz YAHGOLLMAXWSGO-MRXNPFEDSA-N 1 1 330.407 0.865 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCN([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001046078812 766911928 /nfs/dbraw/zinc/91/19/28/766911928.db2.gz PUBKHPGNVLZAJL-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC001046082038 766920934 /nfs/dbraw/zinc/92/09/34/766920934.db2.gz RQJCDOCRARLZAL-GOSISDBHSA-N 1 1 343.475 0.595 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC001046083087 766922844 /nfs/dbraw/zinc/92/28/44/766922844.db2.gz LDQNOLKXTGOQNG-HNNXBMFYSA-N 1 1 345.447 0.189 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC001046084212 766924014 /nfs/dbraw/zinc/92/40/14/766924014.db2.gz NDZNBECUAAIEFD-OAHLLOKOSA-N 1 1 345.447 0.522 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)N3CCCCC3=O)CC2)C1 ZINC001046084879 766925871 /nfs/dbraw/zinc/92/58/71/766925871.db2.gz BYBFLNQWRUOBBN-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001031733085 766930386 /nfs/dbraw/zinc/93/03/86/766930386.db2.gz LTASJONFBCDMSK-CQSZACIVSA-N 1 1 330.388 0.141 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C3CCOCC3)CC2)C1 ZINC001046089615 766931964 /nfs/dbraw/zinc/93/19/64/766931964.db2.gz HRTKUCYTWZLISP-WMZOPIPTSA-N 1 1 333.476 0.901 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CCC1 ZINC001046119498 766947639 /nfs/dbraw/zinc/94/76/39/766947639.db2.gz AVCJGZQLIFDYQK-CABCVRRESA-N 1 1 349.475 0.620 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001046120137 766948813 /nfs/dbraw/zinc/94/88/13/766948813.db2.gz RDAVAXQCSHHEOB-AWEZNQCLSA-N 1 1 335.448 0.374 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001046120315 766950092 /nfs/dbraw/zinc/95/00/92/766950092.db2.gz VUPZUSWKIJREOA-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C)on3)C2)C1=O ZINC001046122989 766952705 /nfs/dbraw/zinc/95/27/05/766952705.db2.gz LVZHIXSDRXNFCG-RHSMWYFYSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C)on3)C2)C1=O ZINC001046122989 766952711 /nfs/dbraw/zinc/95/27/11/766952711.db2.gz LVZHIXSDRXNFCG-RHSMWYFYSA-N 1 1 332.404 0.964 20 30 ECEDMO C=C1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000994846693 766973087 /nfs/dbraw/zinc/97/30/87/766973087.db2.gz FODBFCIRXIVAIQ-CZUORRHYSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC000994846693 766973096 /nfs/dbraw/zinc/97/30/96/766973096.db2.gz FODBFCIRXIVAIQ-CZUORRHYSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccn(CC)n2)C1 ZINC001031741312 766984266 /nfs/dbraw/zinc/98/42/66/766984266.db2.gz WCLICMUBAVSJCP-KRWDZBQOSA-N 1 1 329.448 0.549 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccn(CC)n2)C1 ZINC001031741312 766984275 /nfs/dbraw/zinc/98/42/75/766984275.db2.gz WCLICMUBAVSJCP-KRWDZBQOSA-N 1 1 329.448 0.549 20 30 ECEDMO Cn1cnc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)cc1=O ZINC001031740701 766985307 /nfs/dbraw/zinc/98/53/07/766985307.db2.gz HJZXOFHEXSQNBC-UHFFFAOYSA-N 1 1 336.395 0.494 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCN(C)C1=O)CO2 ZINC001053841230 766988633 /nfs/dbraw/zinc/98/86/33/766988633.db2.gz DAFAAKMBQXMPDQ-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)CC1CS(=O)(=O)C1)CO2 ZINC001053850800 767017939 /nfs/dbraw/zinc/01/79/39/767017939.db2.gz FRFHRCPVEQVBAC-AWEZNQCLSA-N 1 1 342.461 0.347 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(N)=O)o1)CO2 ZINC001053862605 767061278 /nfs/dbraw/zinc/06/12/78/767061278.db2.gz AXVJSBFLRYKXRV-LBPRGKRZSA-N 1 1 333.388 0.918 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CC4)[C@@H]3C2)[nH]1 ZINC001042015427 782602177 /nfs/dbraw/zinc/60/21/77/782602177.db2.gz HNPWSCOZNOGQFU-MLGOLLRUSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CC4)[C@@H]3C2)[nH]1 ZINC001042015427 782602182 /nfs/dbraw/zinc/60/21/82/782602182.db2.gz HNPWSCOZNOGQFU-MLGOLLRUSA-N 1 1 341.415 0.701 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(OC)n(C)n1)CO2 ZINC001053865965 767072984 /nfs/dbraw/zinc/07/29/84/767072984.db2.gz NVFQKXVGXXCZKZ-ZDUSSCGKSA-N 1 1 334.420 0.968 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3n[nH]nc31)CO2 ZINC001053867847 767078960 /nfs/dbraw/zinc/07/89/60/767078960.db2.gz UTEYBNYATOBYCG-LLVKDONJSA-N 1 1 328.376 0.502 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ncc3cccnc31)CO2 ZINC001053873811 767099522 /nfs/dbraw/zinc/09/95/22/767099522.db2.gz JLESTDRMZBXRLA-OAHLLOKOSA-N 1 1 341.415 0.967 20 30 ECEDMO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001046240214 767104431 /nfs/dbraw/zinc/10/44/31/767104431.db2.gz QCKIJVFXIWHCEQ-PBHICJAKSA-N 1 1 342.403 0.338 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC000938756612 767107154 /nfs/dbraw/zinc/10/71/54/767107154.db2.gz TYYUSYNLPZCYBG-HOTGVXAUSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC000938756612 767107157 /nfs/dbraw/zinc/10/71/57/767107157.db2.gz TYYUSYNLPZCYBG-HOTGVXAUSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC000938756493 767107355 /nfs/dbraw/zinc/10/73/55/767107355.db2.gz QELUNRZHOWUBAP-CABCVRRESA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC000938756493 767107360 /nfs/dbraw/zinc/10/73/60/767107360.db2.gz QELUNRZHOWUBAP-CABCVRRESA-N 1 1 329.404 0.180 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046248540 767108375 /nfs/dbraw/zinc/10/83/75/767108375.db2.gz PFJZGNBVJPMCGU-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)N2CCCCC2=O)[C@H](OC)C1 ZINC001212279788 767108559 /nfs/dbraw/zinc/10/85/59/767108559.db2.gz VCVQCZHLKLKLEZ-BZUAXINKSA-N 1 1 335.448 0.616 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)N2CCCCC2=O)[C@H](OC)C1 ZINC001212279788 767108560 /nfs/dbraw/zinc/10/85/60/767108560.db2.gz VCVQCZHLKLKLEZ-BZUAXINKSA-N 1 1 335.448 0.616 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNc2nc(C)cc(C#N)n2)CC[N@H+]1C ZINC001106141641 767111007 /nfs/dbraw/zinc/11/10/07/767111007.db2.gz FXJWYJVMQFJGML-QLFBSQMISA-N 1 1 346.435 0.276 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cncn3)c2)[C@@H](O)C1 ZINC001083765900 767132373 /nfs/dbraw/zinc/13/23/73/767132373.db2.gz AMOMVBYVDIHEDH-CVEARBPZSA-N 1 1 325.372 0.066 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cncn3)c2)[C@@H](O)C1 ZINC001083765900 767132375 /nfs/dbraw/zinc/13/23/75/767132375.db2.gz AMOMVBYVDIHEDH-CVEARBPZSA-N 1 1 325.372 0.066 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C(C)(C)C ZINC001127605220 767141764 /nfs/dbraw/zinc/14/17/64/767141764.db2.gz VBSHUXBKKQEATB-OLZOCXBDSA-N 1 1 336.440 0.615 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(CC#Cc3ccccc3)C2)O1 ZINC001031769839 767175706 /nfs/dbraw/zinc/17/57/06/767175706.db2.gz RBGMCARMBXPKBS-VQIMIIECSA-N 1 1 341.455 0.805 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(CC#Cc3ccccc3)C2)O1 ZINC001031769839 767175707 /nfs/dbraw/zinc/17/57/07/767175707.db2.gz RBGMCARMBXPKBS-VQIMIIECSA-N 1 1 341.455 0.805 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)[C@H](OC)C1 ZINC001212297888 767183212 /nfs/dbraw/zinc/18/32/12/767183212.db2.gz OOTQTHVMGDWIBK-VXGBXAGGSA-N 1 1 341.433 0.783 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)[C@H](OC)C1 ZINC001212297888 767183214 /nfs/dbraw/zinc/18/32/14/767183214.db2.gz OOTQTHVMGDWIBK-VXGBXAGGSA-N 1 1 341.433 0.783 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)[C@H](OC)C1 ZINC001212298188 767184707 /nfs/dbraw/zinc/18/47/07/767184707.db2.gz YAMGIBJWAJCQHG-WCXIOVBPSA-N 1 1 338.448 0.986 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nnc[nH]1 ZINC001089791904 767199077 /nfs/dbraw/zinc/19/90/77/767199077.db2.gz LJOKXWIZYSBYPR-JJXSEGSLSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nc[nH]n1 ZINC001089791904 767199078 /nfs/dbraw/zinc/19/90/78/767199078.db2.gz LJOKXWIZYSBYPR-JJXSEGSLSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nc[nH]n1 ZINC001089791904 767199080 /nfs/dbraw/zinc/19/90/80/767199080.db2.gz LJOKXWIZYSBYPR-JJXSEGSLSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)[C@H](OC)C1 ZINC001212318706 767206171 /nfs/dbraw/zinc/20/61/71/767206171.db2.gz HRQXNKGFUBEWEL-NUEKZKHPSA-N 1 1 335.448 0.520 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)[C@H](OC)C1 ZINC001212318706 767206172 /nfs/dbraw/zinc/20/61/72/767206172.db2.gz HRQXNKGFUBEWEL-NUEKZKHPSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1ccnn1 ZINC001089804913 767231016 /nfs/dbraw/zinc/23/10/16/767231016.db2.gz XPTVSWOZLRKPDE-YVSFHVDLSA-N 1 1 327.432 0.860 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805127 767233082 /nfs/dbraw/zinc/23/30/82/767233082.db2.gz BDTHZDRFGGIAEM-NXOAAHMSSA-N 1 1 329.444 0.657 20 30 ECEDMO O=C(C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1)NC1CC1 ZINC001089805244 767233319 /nfs/dbraw/zinc/23/33/19/767233319.db2.gz DNPRAAMBJZHLEB-OWLYRPNTSA-N 1 1 341.455 0.847 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnn(C)c3CC)C2)C1=O ZINC001031809346 767257379 /nfs/dbraw/zinc/25/73/79/767257379.db2.gz HASYQDSXSQWZJA-INIZCTEOSA-N 1 1 345.447 0.431 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046530695 767281991 /nfs/dbraw/zinc/28/19/91/767281991.db2.gz AUVJBSGWUDHDEW-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053905200 767316540 /nfs/dbraw/zinc/31/65/40/767316540.db2.gz YVZZHZDOPHUOIJ-JKSUJKDBSA-N 1 1 335.448 0.078 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053905200 767316545 /nfs/dbraw/zinc/31/65/45/767316545.db2.gz YVZZHZDOPHUOIJ-JKSUJKDBSA-N 1 1 335.448 0.078 20 30 ECEDMO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001016924905 767319933 /nfs/dbraw/zinc/31/99/33/767319933.db2.gz DYLUDSRRNMKCKE-CJNGLKHVSA-N 1 1 327.432 0.904 20 30 ECEDMO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001016924905 767319939 /nfs/dbraw/zinc/31/99/39/767319939.db2.gz DYLUDSRRNMKCKE-CJNGLKHVSA-N 1 1 327.432 0.904 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 ZINC001046582496 767329947 /nfs/dbraw/zinc/32/99/47/767329947.db2.gz WGKUODBKBOIKKX-GUIRCDHDSA-N 1 1 328.420 0.853 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nc(C)c(C)[nH]c1=O ZINC001089823483 767340597 /nfs/dbraw/zinc/34/05/97/767340597.db2.gz ATGFCTLZUJPBRO-JONQDZQNSA-N 1 1 340.427 0.802 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nc(C)c(C)[nH]c1=O ZINC001089823480 767340824 /nfs/dbraw/zinc/34/08/24/767340824.db2.gz ATGFCTLZUJPBRO-JJXSEGSLSA-N 1 1 340.427 0.802 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(C(C)C)n1 ZINC001106154671 767388698 /nfs/dbraw/zinc/38/86/98/767388698.db2.gz MPRLWWGUZNECRW-CABCVRRESA-N 1 1 345.447 0.587 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(C(C)C)n1 ZINC001106154671 767388710 /nfs/dbraw/zinc/38/87/10/767388710.db2.gz MPRLWWGUZNECRW-CABCVRRESA-N 1 1 345.447 0.587 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046628098 767393745 /nfs/dbraw/zinc/39/37/45/767393745.db2.gz JJQXEABSDFMQMJ-GJYPPUQNSA-N 1 1 325.412 0.740 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046628098 767393756 /nfs/dbraw/zinc/39/37/56/767393756.db2.gz JJQXEABSDFMQMJ-GJYPPUQNSA-N 1 1 325.412 0.740 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001078288888 782621023 /nfs/dbraw/zinc/62/10/23/782621023.db2.gz USNXTIBGOAPVGU-DZGCQCFKSA-N 1 1 328.416 0.639 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001046633415 767405276 /nfs/dbraw/zinc/40/52/76/767405276.db2.gz YEUOUCIJRCEHGB-YIYPIFLZSA-N 1 1 328.420 0.417 20 30 ECEDMO Cc1cc(NC[C@H](O)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(C#N)cn1 ZINC001106157743 767421858 /nfs/dbraw/zinc/42/18/58/767421858.db2.gz JPGIMURDVFMPQZ-HOTGVXAUSA-N 1 1 345.447 0.447 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)cn1C ZINC001089836276 767431800 /nfs/dbraw/zinc/43/18/00/767431800.db2.gz YTUSKHSOMCNPGA-XZDPQHSOSA-N 1 1 340.427 0.540 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046672672 767455003 /nfs/dbraw/zinc/45/50/03/767455003.db2.gz YFTDSLVWYKAKHY-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001046676819 767461548 /nfs/dbraw/zinc/46/15/48/767461548.db2.gz MLFIGLKBHNGXQD-WMLDXEAASA-N 1 1 337.464 0.620 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001106165079 767462497 /nfs/dbraw/zinc/46/24/97/767462497.db2.gz DCWBQDLNBSROAD-ZIAGYGMSSA-N 1 1 332.408 0.030 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046685154 767479728 /nfs/dbraw/zinc/47/97/28/767479728.db2.gz PMSSIACRUJELOT-HUUCEWRRSA-N 1 1 335.448 0.067 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001106170830 767482683 /nfs/dbraw/zinc/48/26/83/767482683.db2.gz XARWCHJVEOSPIM-NVXWUHKLSA-N 1 1 345.447 0.385 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C)nc2C)C1 ZINC000992758082 767549790 /nfs/dbraw/zinc/54/97/90/767549790.db2.gz XXQFLYJUALCQFX-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C)nc2C)C1 ZINC000992758082 767549794 /nfs/dbraw/zinc/54/97/94/767549794.db2.gz XXQFLYJUALCQFX-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C1CCC1)C[C@@H](C)O2 ZINC001111533098 767551548 /nfs/dbraw/zinc/55/15/48/767551548.db2.gz BOWFBKFEYXWOSE-OAHLLOKOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001054032987 767632749 /nfs/dbraw/zinc/63/27/49/767632749.db2.gz LLEDKFJWWNTNOW-ROUUACIJSA-N 1 1 328.412 0.968 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054036560 767634810 /nfs/dbraw/zinc/63/48/10/767634810.db2.gz NRPSBUWSCVBBCC-DLBZAZTESA-N 1 1 328.416 0.384 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054036560 767634813 /nfs/dbraw/zinc/63/48/13/767634813.db2.gz NRPSBUWSCVBBCC-DLBZAZTESA-N 1 1 328.416 0.384 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1COCCN1C ZINC001054037245 767636404 /nfs/dbraw/zinc/63/64/04/767636404.db2.gz BSSDNSGXRIALPP-RTBURBONSA-N 1 1 341.455 0.883 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054048767 767648128 /nfs/dbraw/zinc/64/81/28/767648128.db2.gz IHNAUVGALMEQMU-IAGOWNOFSA-N 1 1 340.427 0.576 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054048767 767648129 /nfs/dbraw/zinc/64/81/29/767648129.db2.gz IHNAUVGALMEQMU-IAGOWNOFSA-N 1 1 340.427 0.576 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001060476429 767687458 /nfs/dbraw/zinc/68/74/58/767687458.db2.gz MUBUPAYKVDDZGC-HSMHQDCBSA-N 1 1 326.404 0.097 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001054112586 767702345 /nfs/dbraw/zinc/70/23/45/767702345.db2.gz PHHZGZNHMGRACV-KRWDZBQOSA-N 1 1 329.404 0.560 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001054111897 767702445 /nfs/dbraw/zinc/70/24/45/767702445.db2.gz DEOIAKJLTHXPDW-SJCJKPOMSA-N 1 1 329.404 0.688 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(CCOC)nn1)C2 ZINC001054129203 767722540 /nfs/dbraw/zinc/72/25/40/767722540.db2.gz MJGXCBZCCHOWFV-SFHVURJKSA-N 1 1 345.447 0.876 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1nnn(C(C)(C)C)n1)C2 ZINC001054137535 767732394 /nfs/dbraw/zinc/73/23/94/767732394.db2.gz HTZXOLGKLGDHKE-SFHVURJKSA-N 1 1 344.463 0.918 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCS1(=O)=O)C2 ZINC001054144336 767739017 /nfs/dbraw/zinc/73/90/17/767739017.db2.gz TYOUAGRUMWQMMH-NVXWUHKLSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCS1(=O)=O)C2 ZINC001054144336 767739022 /nfs/dbraw/zinc/73/90/22/767739022.db2.gz TYOUAGRUMWQMMH-NVXWUHKLSA-N 1 1 338.473 0.901 20 30 ECEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCC[C@]2(CCN(CC#N)C2)C1 ZINC001054145815 767740647 /nfs/dbraw/zinc/74/06/47/767740647.db2.gz XWDPFKDSBVLIIA-FUHWJXTLSA-N 1 1 344.463 0.651 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054160513 767758947 /nfs/dbraw/zinc/75/89/47/767758947.db2.gz HPRGVZJUGUVYRP-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccnc3c1nnn3C)C2 ZINC001054186695 767784352 /nfs/dbraw/zinc/78/43/52/767784352.db2.gz ZUTHWYAYWQFWKR-SFHVURJKSA-N 1 1 338.415 0.925 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c(C)c[nH]c1CC(N)=O)C2 ZINC001054202584 767799176 /nfs/dbraw/zinc/79/91/76/767799176.db2.gz IMFSSXNVTOVFNB-LJQANCHMSA-N 1 1 342.443 0.912 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001054207214 767804092 /nfs/dbraw/zinc/80/40/92/767804092.db2.gz VBETUTUUQZKAGG-GUYCJALGSA-N 1 1 334.420 0.475 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)nn1 ZINC001054210675 767807926 /nfs/dbraw/zinc/80/79/26/767807926.db2.gz UPYJDKMMIGTRQP-GUYCJALGSA-N 1 1 346.435 0.266 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCN(C)S1(=O)=O)C2 ZINC001054211384 767808369 /nfs/dbraw/zinc/80/83/69/767808369.db2.gz OJAXBHZYEMARIV-ZBFHGGJFSA-N 1 1 341.477 0.521 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH]c(=O)c1=O)C2 ZINC001054215108 767814545 /nfs/dbraw/zinc/81/45/45/767814545.db2.gz MRPWBLOFQKYHBH-SFHVURJKSA-N 1 1 346.431 0.427 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(S(C)(=O)=O)CCC1)C2 ZINC001054221279 767826497 /nfs/dbraw/zinc/82/64/97/767826497.db2.gz VFRBWVSGEUZXHM-MRXNPFEDSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(S(C)(=O)=O)CCC1)C2 ZINC001054221279 767826505 /nfs/dbraw/zinc/82/65/05/767826505.db2.gz VFRBWVSGEUZXHM-MRXNPFEDSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001054234608 767843197 /nfs/dbraw/zinc/84/31/97/767843197.db2.gz HBVGECSKEKIDPT-SFHVURJKSA-N 1 1 345.447 0.228 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(C)CCOCCNc1ccc(C#N)nn1 ZINC001127347227 768369630 /nfs/dbraw/zinc/36/96/30/768369630.db2.gz KBDSKQXIZUUZPP-UHFFFAOYSA-N 1 1 334.424 0.577 20 30 ECEDMO CN(CCOCCNc1ccncc1C#N)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001127347415 768377469 /nfs/dbraw/zinc/37/74/69/768377469.db2.gz NQQZERBXZTVZAO-HNNXBMFYSA-N 1 1 345.447 0.604 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CNC(=O)N2)cc1 ZINC001017867166 768490474 /nfs/dbraw/zinc/49/04/74/768490474.db2.gz JTCVVSZHBBGFDS-OWCLPIDISA-N 1 1 339.399 0.415 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CNC(=O)N2)cc1 ZINC001017867166 768490482 /nfs/dbraw/zinc/49/04/82/768490482.db2.gz JTCVVSZHBBGFDS-OWCLPIDISA-N 1 1 339.399 0.415 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2C1 ZINC001055183036 768639531 /nfs/dbraw/zinc/63/95/31/768639531.db2.gz UIUYLHCEKFLLBQ-OKILXGFUSA-N 1 1 347.444 0.365 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001018053776 768665699 /nfs/dbraw/zinc/66/56/99/768665699.db2.gz ZSQSIXWCJYEGOP-ZNMIVQPWSA-N 1 1 341.477 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(F)ncn1 ZINC001055239670 768695147 /nfs/dbraw/zinc/69/51/47/768695147.db2.gz HJIDXYRLFGOHQZ-QPSCCSFWSA-N 1 1 343.406 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(F)ncn1 ZINC001055239670 768695151 /nfs/dbraw/zinc/69/51/51/768695151.db2.gz HJIDXYRLFGOHQZ-QPSCCSFWSA-N 1 1 343.406 0.939 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1c[nH]cn1 ZINC001099246331 768700301 /nfs/dbraw/zinc/70/03/01/768700301.db2.gz SSQVGHZUUYUPCD-OAHLLOKOSA-N 1 1 347.463 0.861 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1c[nH]cn1 ZINC001099246331 768700308 /nfs/dbraw/zinc/70/03/08/768700308.db2.gz SSQVGHZUUYUPCD-OAHLLOKOSA-N 1 1 347.463 0.861 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001018095358 768716154 /nfs/dbraw/zinc/71/61/54/768716154.db2.gz KDRLSKYJSHXYBG-BETUJISGSA-N 1 1 332.404 0.990 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001055313209 768768605 /nfs/dbraw/zinc/76/86/05/768768605.db2.gz GRKQJUICHBPYKQ-YIOZNXECSA-N 1 1 349.475 0.715 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C1 ZINC001055337913 768794216 /nfs/dbraw/zinc/79/42/16/768794216.db2.gz KPDXQAIFTCSVHV-HRCADAONSA-N 1 1 335.448 0.283 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)C1 ZINC001055362307 768814015 /nfs/dbraw/zinc/81/40/15/768814015.db2.gz SFORQDDPEXSDCA-XZDPQHSOSA-N 1 1 340.431 0.916 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]21 ZINC001042062185 782699545 /nfs/dbraw/zinc/69/95/45/782699545.db2.gz KIQRWVVLRJWGSR-HUUCEWRRSA-N 1 1 345.443 0.718 20 30 ECEDMO Cc1cc(C(=O)NCC[NH+]2CCC(NC(=O)C#CC(C)C)CC2)on1 ZINC001055516690 768989429 /nfs/dbraw/zinc/98/94/29/768989429.db2.gz RHCFDCOHWXCXOK-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC000993414270 768992364 /nfs/dbraw/zinc/99/23/64/768992364.db2.gz NLKCJEXEGWUVNI-CABCVRRESA-N 1 1 348.447 0.482 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)CC[NH+]1CCOCC1 ZINC001106798271 769014478 /nfs/dbraw/zinc/01/44/78/769014478.db2.gz WWJXABRISWCBNO-UHFFFAOYSA-N 1 1 331.420 0.358 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC(C)(C)C1 ZINC001089353722 769015742 /nfs/dbraw/zinc/01/57/42/769015742.db2.gz DTMGQZLXXSQXQE-WCQYABFASA-N 1 1 331.420 0.981 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2ccon2)CC1 ZINC001055531394 769024270 /nfs/dbraw/zinc/02/42/70/769024270.db2.gz BORSJXYCHCIPEY-UHFFFAOYSA-N 1 1 332.404 0.789 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2cnsn2)CC1 ZINC001055531609 769026015 /nfs/dbraw/zinc/02/60/15/769026015.db2.gz LQKJZEWNIFAQGB-UHFFFAOYSA-N 1 1 337.449 0.815 20 30 ECEDMO C=CCOCC(=O)NC1CC[NH+](CCNC(=O)c2cocn2)CC1 ZINC001055542800 769067520 /nfs/dbraw/zinc/06/75/20/769067520.db2.gz KGNGQVIIVNRNRG-UHFFFAOYSA-N 1 1 336.392 0.188 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCCN1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055546097 769082217 /nfs/dbraw/zinc/08/22/17/769082217.db2.gz XQYQCCCWEJQNLD-QGZVFWFLSA-N 1 1 346.475 0.191 20 30 ECEDMO C[N@@H+]1CC[C@H](C(=O)NC2CCN(CCNC(=O)C#CC3CC3)CC2)C1 ZINC001055573883 769157093 /nfs/dbraw/zinc/15/70/93/769157093.db2.gz KMOHONMAJCSMAU-INIZCTEOSA-N 1 1 346.475 0.048 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2CCN(CCNC(=O)C#CC3CC3)CC2)C1 ZINC001055573883 769157100 /nfs/dbraw/zinc/15/71/00/769157100.db2.gz KMOHONMAJCSMAU-INIZCTEOSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)CC1 ZINC001018356995 769179174 /nfs/dbraw/zinc/17/91/74/769179174.db2.gz ZKDACSQYSOYORU-SJORKVTESA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cocn3)C2)CC1 ZINC001018363013 769200986 /nfs/dbraw/zinc/20/09/86/769200986.db2.gz JOAHCOMIQPMGEU-OAHLLOKOSA-N 1 1 344.415 0.694 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001018367500 769216703 /nfs/dbraw/zinc/21/67/03/769216703.db2.gz RFAHDWJQUHSSOZ-OAHLLOKOSA-N 1 1 343.431 0.903 20 30 ECEDMO C#CCCCCC(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622374 769279258 /nfs/dbraw/zinc/27/92/58/769279258.db2.gz HPZWAFCKICIZIC-UHFFFAOYSA-N 1 1 347.419 0.574 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2ncccn2)CC1 ZINC001055623698 769284404 /nfs/dbraw/zinc/28/44/04/769284404.db2.gz NQLKBSGVPWSEND-UHFFFAOYSA-N 1 1 343.431 0.591 20 30 ECEDMO CC[NH+](CC)CC(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1 ZINC001055632434 769306790 /nfs/dbraw/zinc/30/67/90/769306790.db2.gz VBOXTVZUAUIYCA-CQSZACIVSA-N 1 1 337.468 0.185 20 30 ECEDMO Cc1nocc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055632360 769307115 /nfs/dbraw/zinc/30/71/15/769307115.db2.gz SYRKVVSZGOHTLG-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1C ZINC000993625288 769436710 /nfs/dbraw/zinc/43/67/10/769436710.db2.gz SWHMAORJMQSGGR-ZIAGYGMSSA-N 1 1 341.415 0.937 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1C ZINC000993625288 769436717 /nfs/dbraw/zinc/43/67/17/769436717.db2.gz SWHMAORJMQSGGR-ZIAGYGMSSA-N 1 1 341.415 0.937 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@H]21 ZINC001042100890 782768331 /nfs/dbraw/zinc/76/83/31/782768331.db2.gz PSAGYBVWWZXNAS-GOEBONIOSA-N 1 1 328.416 0.973 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC001078358341 782768462 /nfs/dbraw/zinc/76/84/62/782768462.db2.gz ODQDDIRPJCKFAT-KBPBESRZSA-N 1 1 348.451 0.900 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC001018633068 769685416 /nfs/dbraw/zinc/68/54/16/769685416.db2.gz SWNIYDGOFWJUJD-MNOVXSKESA-N 1 1 327.348 0.377 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H]1C ZINC000993861389 769710107 /nfs/dbraw/zinc/71/01/07/769710107.db2.gz XIGKYDDRLFXTAM-UONOGXRCSA-N 1 1 330.432 0.957 20 30 ECEDMO CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078359789 782772181 /nfs/dbraw/zinc/77/21/81/782772181.db2.gz DUAJFTBLHFWOOS-QWHCGFSZSA-N 1 1 335.412 0.121 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C(C)(C)F)C2)C1 ZINC001018687497 769763916 /nfs/dbraw/zinc/76/39/16/769763916.db2.gz WWLHHHLUBAZEPG-AWEZNQCLSA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C(C)(C)F)C2)C1 ZINC001018687497 769763920 /nfs/dbraw/zinc/76/39/20/769763920.db2.gz WWLHHHLUBAZEPG-AWEZNQCLSA-N 1 1 335.423 0.893 20 30 ECEDMO CCn1c(C)nnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001018731407 769819759 /nfs/dbraw/zinc/81/97/59/769819759.db2.gz WMAKATILKSJKST-ZDUSSCGKSA-N 1 1 327.392 0.811 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3noc4c3COCC4)C2)c[nH]1 ZINC001018747630 769859360 /nfs/dbraw/zinc/85/93/60/769859360.db2.gz IQJJPNVEIUWEKZ-LBPRGKRZSA-N 1 1 341.371 0.951 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001055836740 769914763 /nfs/dbraw/zinc/91/47/63/769914763.db2.gz FBXRAJSUTXHEFB-BEFAXECRSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@@](CO)(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001055837782 769919823 /nfs/dbraw/zinc/91/98/23/769919823.db2.gz OHEDAFDESFWKAB-HNAYVOBHSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000993949516 769930886 /nfs/dbraw/zinc/93/08/86/769930886.db2.gz CQDDPVZHWPIVTA-ILXRZTDVSA-N 1 1 344.415 0.679 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)[C@H]2C)nn1 ZINC000993980748 769956304 /nfs/dbraw/zinc/95/63/04/769956304.db2.gz BTNQRTPTYPERFA-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)[C@H]2C)nn1 ZINC000993980748 769956309 /nfs/dbraw/zinc/95/63/09/769956309.db2.gz BTNQRTPTYPERFA-UONOGXRCSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC000993989874 769970674 /nfs/dbraw/zinc/97/06/74/769970674.db2.gz PVWAPYZBFCDFCC-HUUCEWRRSA-N 1 1 348.451 0.724 20 30 ECEDMO N#Cc1cnc(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC001055851325 769970711 /nfs/dbraw/zinc/97/07/11/769970711.db2.gz VXZCADZSBZCLHM-UHFFFAOYSA-N 1 1 347.394 0.463 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]21 ZINC001042115798 782796515 /nfs/dbraw/zinc/79/65/15/782796515.db2.gz BZDFWCWYVDTGTA-GDBMZVCRSA-N 1 1 328.416 0.832 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 ZINC001042121699 782806434 /nfs/dbraw/zinc/80/64/34/782806434.db2.gz JKHRCEWMGLKHCX-CHWSQXEVSA-N 1 1 339.827 0.257 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 ZINC001042121699 782806439 /nfs/dbraw/zinc/80/64/39/782806439.db2.gz JKHRCEWMGLKHCX-CHWSQXEVSA-N 1 1 339.827 0.257 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCN(c3nccnc3C#N)CC2)C1 ZINC001055924459 770235504 /nfs/dbraw/zinc/23/55/04/770235504.db2.gz OVVAYBRMBKXJRR-HNNXBMFYSA-N 1 1 342.447 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC000994168170 770238381 /nfs/dbraw/zinc/23/83/81/770238381.db2.gz DKAVEXUSXJWDKM-JSGCOSHPSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC000994168170 770238385 /nfs/dbraw/zinc/23/83/85/770238385.db2.gz DKAVEXUSXJWDKM-JSGCOSHPSA-N 1 1 339.386 0.846 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001055933866 770274032 /nfs/dbraw/zinc/27/40/32/770274032.db2.gz WOVBSZJVGQPIRO-YJBOKZPZSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@H]1C ZINC000994186762 770274306 /nfs/dbraw/zinc/27/43/06/770274306.db2.gz FZTMUNOBARESKL-HIFRSBDPSA-N 1 1 331.420 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)[C@H]1C ZINC000994186762 770274314 /nfs/dbraw/zinc/27/43/14/770274314.db2.gz FZTMUNOBARESKL-HIFRSBDPSA-N 1 1 331.420 0.846 20 30 ECEDMO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001055934020 770275245 /nfs/dbraw/zinc/27/52/45/770275245.db2.gz ZXLLGLJYLDDPHI-VQIMIIECSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C ZINC000994193167 770281911 /nfs/dbraw/zinc/28/19/11/770281911.db2.gz KUXZPGLAUCHBFZ-INMHGKMJSA-N 1 1 342.443 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C ZINC000994193167 770281919 /nfs/dbraw/zinc/28/19/19/770281919.db2.gz KUXZPGLAUCHBFZ-INMHGKMJSA-N 1 1 342.443 0.937 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055939623 770295410 /nfs/dbraw/zinc/29/54/10/770295410.db2.gz DJAVYLPKRHSOTE-LPHOPBHVSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC000994216361 770323331 /nfs/dbraw/zinc/32/33/31/770323331.db2.gz VGTSSUNQPDFKNJ-NEPJUHHUSA-N 1 1 328.376 0.024 20 30 ECEDMO COCC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(=O)NCC1CC1 ZINC001099285948 770354647 /nfs/dbraw/zinc/35/46/47/770354647.db2.gz LEWRLOLJBNTYLL-MRXNPFEDSA-N 1 1 349.475 0.769 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(=O)NCC1CC1 ZINC001099285948 770354658 /nfs/dbraw/zinc/35/46/58/770354658.db2.gz LEWRLOLJBNTYLL-MRXNPFEDSA-N 1 1 349.475 0.769 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019011667 770563946 /nfs/dbraw/zinc/56/39/46/770563946.db2.gz SUXZLWDDTGRRGX-MRXNPFEDSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001056020069 770574565 /nfs/dbraw/zinc/57/45/65/770574565.db2.gz RYSCBIOZCKLHRJ-LPHOPBHVSA-N 1 1 349.475 0.601 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056032830 770621413 /nfs/dbraw/zinc/62/14/13/770621413.db2.gz SJYFOQMTYRTSPA-LJQANCHMSA-N 1 1 349.475 0.601 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056059462 770705420 /nfs/dbraw/zinc/70/54/20/770705420.db2.gz OHQOHQORDYXYQB-QFBILLFUSA-N 1 1 347.459 0.354 20 30 ECEDMO Cc1cc(C#N)nc(N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC001056062599 770716600 /nfs/dbraw/zinc/71/66/00/770716600.db2.gz LWUJBLXUYBVNLO-UHFFFAOYSA-N 1 1 328.420 0.790 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001019075367 770722706 /nfs/dbraw/zinc/72/27/06/770722706.db2.gz IATMWCAESPDHLE-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001019075367 770722714 /nfs/dbraw/zinc/72/27/14/770722714.db2.gz IATMWCAESPDHLE-OAHLLOKOSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC001056067319 770731489 /nfs/dbraw/zinc/73/14/89/770731489.db2.gz DWNSWAWQEJYLBZ-ZDUSSCGKSA-N 1 1 339.403 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC001056067319 770731490 /nfs/dbraw/zinc/73/14/90/770731490.db2.gz DWNSWAWQEJYLBZ-ZDUSSCGKSA-N 1 1 339.403 0.099 20 30 ECEDMO O=C(C#CC1CC1)N1CCCO[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001078397711 782867207 /nfs/dbraw/zinc/86/72/07/782867207.db2.gz DIBXVESCPIGURR-HNNXBMFYSA-N 1 1 344.419 0.129 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cnc4c(c3)nnn4C)C[C@@H]21 ZINC001042156905 782867809 /nfs/dbraw/zinc/86/78/09/782867809.db2.gz XINXAZMURZFJEU-BBRMVZONSA-N 1 1 338.415 0.923 20 30 ECEDMO C=CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001056084902 770794836 /nfs/dbraw/zinc/79/48/36/770794836.db2.gz BALWEIRLVLEZFZ-QAPCUYQASA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@H]21 ZINC001042163000 782876936 /nfs/dbraw/zinc/87/69/36/782876936.db2.gz NDQVJHLUBWLOBN-XJKSGUPXSA-N 1 1 337.387 0.227 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2O)C1 ZINC001083756437 770986980 /nfs/dbraw/zinc/98/69/80/770986980.db2.gz UYRBAPVNGODJJU-CABCVRRESA-N 1 1 331.416 0.403 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001031419400 771038698 /nfs/dbraw/zinc/03/86/98/771038698.db2.gz ZOANJRXGJBTLOG-QGZVFWFLSA-N 1 1 346.406 0.718 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001031419400 771038702 /nfs/dbraw/zinc/03/87/02/771038702.db2.gz ZOANJRXGJBTLOG-QGZVFWFLSA-N 1 1 346.406 0.718 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]21 ZINC001042179714 782899912 /nfs/dbraw/zinc/89/99/12/782899912.db2.gz PTNUCZRKGIJPRT-GJZGRUSLSA-N 1 1 328.416 0.567 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056406014 771234310 /nfs/dbraw/zinc/23/43/10/771234310.db2.gz SVGHIBNTZGMKKH-GVDBMIGSSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001056442651 771273088 /nfs/dbraw/zinc/27/30/88/771273088.db2.gz HDXRZLMLMSWMCO-SJORKVTESA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)CC[N@H+]1C ZINC001056444275 771275555 /nfs/dbraw/zinc/27/55/55/771275555.db2.gz DPWDWMQKDIJGGA-QVDCYYDOSA-N 1 1 325.416 0.844 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)CC[N@H+]1C ZINC001056447665 771278987 /nfs/dbraw/zinc/27/89/87/771278987.db2.gz HDWRZFSMZNIUEP-DEQQHWRFSA-N 1 1 340.431 0.629 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)O1 ZINC001056463666 771299359 /nfs/dbraw/zinc/29/93/59/771299359.db2.gz IEPHWWFYJMPVDP-JZYAIQKZSA-N 1 1 341.415 0.223 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)O1 ZINC001056463666 771299364 /nfs/dbraw/zinc/29/93/64/771299364.db2.gz IEPHWWFYJMPVDP-JZYAIQKZSA-N 1 1 341.415 0.223 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnc(C)s3)C2)C1=O ZINC001031575153 771320202 /nfs/dbraw/zinc/32/02/02/771320202.db2.gz GYCJPPXAIWJMHK-ZDUSSCGKSA-N 1 1 334.445 0.900 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC(C)(C)C1 ZINC001089491875 771330097 /nfs/dbraw/zinc/33/00/97/771330097.db2.gz XDGNDBQXPYMOHW-QLFBSQMISA-N 1 1 335.448 0.649 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nccn3CC)C2)nn1 ZINC001019483587 771347775 /nfs/dbraw/zinc/34/77/75/771347775.db2.gz XMDNBCKXACAPKW-ZDUSSCGKSA-N 1 1 329.408 0.685 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cn(C)nc3C)C2)C1=O ZINC001031588093 771349658 /nfs/dbraw/zinc/34/96/58/771349658.db2.gz QPJZCGOQRMLRFF-HNNXBMFYSA-N 1 1 331.420 0.177 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CCN2C(=O)CNC2=O)cc1 ZINC001038583782 771382939 /nfs/dbraw/zinc/38/29/39/771382939.db2.gz YLKHWORGVCUKCU-HNNXBMFYSA-N 1 1 340.383 0.024 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CCN2C(=O)CNC2=O)cc1 ZINC001038583782 771382949 /nfs/dbraw/zinc/38/29/49/771382949.db2.gz YLKHWORGVCUKCU-HNNXBMFYSA-N 1 1 340.383 0.024 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC(C)(C)C1 ZINC001089541806 771426868 /nfs/dbraw/zinc/42/68/68/771426868.db2.gz OAKUPNNOWXNGJK-LLVKDONJSA-N 1 1 348.403 0.750 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCCO1 ZINC001089543005 771432305 /nfs/dbraw/zinc/43/23/05/771432305.db2.gz BSDKNTYATWIBAO-AWEZNQCLSA-N 1 1 346.435 0.400 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001056665482 771488368 /nfs/dbraw/zinc/48/83/68/771488368.db2.gz YFIXBZSTLHQJFO-GVDBMIGSSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3csnc3C)C2)C1=O ZINC001031623583 771507626 /nfs/dbraw/zinc/50/76/26/771507626.db2.gz FMFZWQLAWIOKOV-CQSZACIVSA-N 1 1 334.445 0.900 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)cc1C#N ZINC001042210630 782944080 /nfs/dbraw/zinc/94/40/80/782944080.db2.gz LLKWFUVVRKGGRM-ZFWWWQNUSA-N 1 1 342.399 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(CC)n3C)C2)nc1 ZINC001019675109 771703795 /nfs/dbraw/zinc/70/37/95/771703795.db2.gz AJPOWYKLBVJIPT-AWEZNQCLSA-N 1 1 338.415 0.758 20 30 ECEDMO CN(c1ccc(C#N)nc1)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001056879996 771757603 /nfs/dbraw/zinc/75/76/03/771757603.db2.gz RPRRLMONBJWTBL-CVEARBPZSA-N 1 1 329.404 0.321 20 30 ECEDMO CN(c1ccc(C#N)nc1)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001056879996 771757605 /nfs/dbraw/zinc/75/76/05/771757605.db2.gz RPRRLMONBJWTBL-CVEARBPZSA-N 1 1 329.404 0.321 20 30 ECEDMO N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001019795061 771805562 /nfs/dbraw/zinc/80/55/62/771805562.db2.gz GNDZVYZACNBYGN-JKSUJKDBSA-N 1 1 347.440 0.826 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3ncccc3C#N)C2)C1 ZINC001056928636 771819874 /nfs/dbraw/zinc/81/98/74/771819874.db2.gz MUAIBKMYJDYTDN-HZPDHXFCSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3ncccc3C#N)C2)C1 ZINC001056928636 771819876 /nfs/dbraw/zinc/81/98/76/771819876.db2.gz MUAIBKMYJDYTDN-HZPDHXFCSA-N 1 1 343.431 0.711 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)nn3)C2)C1 ZINC001056930340 771821266 /nfs/dbraw/zinc/82/12/66/771821266.db2.gz HRHFGHQZTBNYHA-GJZGRUSLSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3ccc(C#N)nn3)C2)C1 ZINC001056930340 771821269 /nfs/dbraw/zinc/82/12/69/771821269.db2.gz HRHFGHQZTBNYHA-GJZGRUSLSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3cc(C)ncn3)C2)CC1 ZINC001019815687 771831061 /nfs/dbraw/zinc/83/10/61/771831061.db2.gz KLLXQXPZRNKZDI-KRWDZBQOSA-N 1 1 341.459 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C)c(C(N)=O)cn3)C[C@@H]21 ZINC001042241608 782973925 /nfs/dbraw/zinc/97/39/25/782973925.db2.gz BMSIYIZMLDCBNM-CJNGLKHVSA-N 1 1 326.400 0.659 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001057059434 772011819 /nfs/dbraw/zinc/01/18/19/772011819.db2.gz RYJQWAZMIWFWNF-CQSZACIVSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001057059051 772012042 /nfs/dbraw/zinc/01/20/42/772012042.db2.gz HYRJWHUPAQRWTI-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057142149 772155537 /nfs/dbraw/zinc/15/55/37/772155537.db2.gz PZULPGSPURPEHQ-UHFFFAOYSA-N 1 1 325.376 0.592 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C[C@@H]21 ZINC001042254170 782989250 /nfs/dbraw/zinc/98/92/50/782989250.db2.gz IKABUWUXBBYOKZ-ZFWWWQNUSA-N 1 1 346.431 0.197 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)OC)[C@H]1C ZINC001020115557 772175812 /nfs/dbraw/zinc/17/58/12/772175812.db2.gz DLSUIPGYZQDJEV-YHUYYLMFSA-N 1 1 335.448 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)OC)[C@H]1C ZINC001020115557 772175816 /nfs/dbraw/zinc/17/58/16/772175816.db2.gz DLSUIPGYZQDJEV-YHUYYLMFSA-N 1 1 335.448 0.615 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001020159958 772229424 /nfs/dbraw/zinc/22/94/24/772229424.db2.gz ARFLFQCFMVXFLS-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057234413 772318669 /nfs/dbraw/zinc/31/86/69/772318669.db2.gz BITMXDHBAFSSBI-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057234903 772319159 /nfs/dbraw/zinc/31/91/59/772319159.db2.gz UKCTXZGMSGQPAI-UONOGXRCSA-N 1 1 328.420 0.585 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2cnc(F)cn2)CC1 ZINC001057252874 772347356 /nfs/dbraw/zinc/34/73/56/772347356.db2.gz VCZNZSZCBSCRSR-AWEZNQCLSA-N 1 1 331.395 0.752 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2cnc(F)cn2)CC1 ZINC001057252874 772347361 /nfs/dbraw/zinc/34/73/61/772347361.db2.gz VCZNZSZCBSCRSR-AWEZNQCLSA-N 1 1 331.395 0.752 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3(n4cnnn4)CCOCC3)C[C@@H]21 ZINC001042265770 783007063 /nfs/dbraw/zinc/00/70/63/783007063.db2.gz JDECDZOGDXQTQH-CABCVRRESA-N 1 1 346.435 0.288 20 30 ECEDMO C#CCN1CC[C@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21 ZINC001042268222 783011147 /nfs/dbraw/zinc/01/11/47/783011147.db2.gz ZQUQXGBURFFVRY-RDJZCZTQSA-N 1 1 329.448 0.614 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)CSCC#N ZINC001078471137 783013861 /nfs/dbraw/zinc/01/38/61/783013861.db2.gz KLCFRDMUHIWJFF-OLZOCXBDSA-N 1 1 326.466 0.596 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001020341041 772467446 /nfs/dbraw/zinc/46/74/46/772467446.db2.gz KFQKBPDTANQOIS-JOCQHMNTSA-N 1 1 326.360 0.736 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001078474011 783021880 /nfs/dbraw/zinc/02/18/80/783021880.db2.gz QXZFSTWIPVEGKE-ZNMIVQPWSA-N 1 1 349.435 0.411 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001057388348 772555763 /nfs/dbraw/zinc/55/57/63/772555763.db2.gz NRSAARQPZQITJN-INIZCTEOSA-N 1 1 337.464 0.459 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001057388349 772555885 /nfs/dbraw/zinc/55/58/85/772555885.db2.gz NRSAARQPZQITJN-MRXNPFEDSA-N 1 1 337.464 0.459 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(CNc3ccc(C#N)nn3)CC2)C1 ZINC001057483751 772672525 /nfs/dbraw/zinc/67/25/25/772672525.db2.gz KUSRWFOFBSUALB-HNNXBMFYSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(CNc3ccc(C#N)nn3)CC2)C1 ZINC001057483751 772672529 /nfs/dbraw/zinc/67/25/29/772672529.db2.gz KUSRWFOFBSUALB-HNNXBMFYSA-N 1 1 344.419 0.329 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057525440 772718264 /nfs/dbraw/zinc/71/82/64/772718264.db2.gz TUDGNEJXBYKDHT-SJORKVTESA-N 1 1 349.475 0.600 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057537957 772733405 /nfs/dbraw/zinc/73/34/05/772733405.db2.gz QTPOBGNHVATZRG-UHFFFAOYSA-N 1 1 325.453 0.315 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057599353 772796370 /nfs/dbraw/zinc/79/63/70/772796370.db2.gz YYGRUWPKSILFQK-DLBZAZTESA-N 1 1 347.459 0.211 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001057600594 772797863 /nfs/dbraw/zinc/79/78/63/772797863.db2.gz CWRVKDFIADWFJU-HOTGVXAUSA-N 1 1 343.431 0.995 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001057600594 772797866 /nfs/dbraw/zinc/79/78/66/772797866.db2.gz CWRVKDFIADWFJU-HOTGVXAUSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001057602047 772800210 /nfs/dbraw/zinc/80/02/10/772800210.db2.gz YSTAYLYPLHXQGT-UHFFFAOYSA-N 1 1 336.436 0.731 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057635730 772842233 /nfs/dbraw/zinc/84/22/33/772842233.db2.gz IAKLRQHBRRBPLN-CYBMUJFWSA-N 1 1 345.871 0.654 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001057668078 772890996 /nfs/dbraw/zinc/89/09/96/772890996.db2.gz OIXCDENIYITAFJ-UONOGXRCSA-N 1 1 328.420 0.515 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057811847 773014717 /nfs/dbraw/zinc/01/47/17/773014717.db2.gz IARVYYCVEGMLBT-CZUORRHYSA-N 1 1 342.447 0.879 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)Cn2c[nH+]cc2C)CCC1 ZINC001057823436 773034512 /nfs/dbraw/zinc/03/45/12/773034512.db2.gz SIKOLNMXPHGWKP-UHFFFAOYSA-N 1 1 346.431 0.322 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CCN(c2cncc(C#N)n2)CC1 ZINC001057873370 773106394 /nfs/dbraw/zinc/10/63/94/773106394.db2.gz VLSRDKIUGBSWHT-UHFFFAOYSA-N 1 1 325.376 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(C2CC2)CC1 ZINC001057892079 773143855 /nfs/dbraw/zinc/14/38/55/773143855.db2.gz RHAPQZDTJRIUBR-INIZCTEOSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(C2CC2)CC1 ZINC001057892079 773143857 /nfs/dbraw/zinc/14/38/57/773143857.db2.gz RHAPQZDTJRIUBR-INIZCTEOSA-N 1 1 347.459 0.211 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057945689 773245761 /nfs/dbraw/zinc/24/57/61/773245761.db2.gz CUCKARBVVGDGEL-TZMCWYRMSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057946125 773247059 /nfs/dbraw/zinc/24/70/59/773247059.db2.gz SFBBDOLVNFJYAL-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC=CCC1 ZINC001057961422 773292285 /nfs/dbraw/zinc/29/22/85/773292285.db2.gz XCSRACMRXDUAET-IRXDYDNUSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC=CCC1 ZINC001057961422 773292292 /nfs/dbraw/zinc/29/22/92/773292292.db2.gz XCSRACMRXDUAET-IRXDYDNUSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C(C)C ZINC001057962208 773294491 /nfs/dbraw/zinc/29/44/91/773294491.db2.gz MVENFMNZCSCRET-HOTGVXAUSA-N 1 1 337.464 0.313 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C(C)C ZINC001057962208 773294498 /nfs/dbraw/zinc/29/44/98/773294498.db2.gz MVENFMNZCSCRET-HOTGVXAUSA-N 1 1 337.464 0.313 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(c3ccncc3C#N)CC2)O1 ZINC001057969474 773308251 /nfs/dbraw/zinc/30/82/51/773308251.db2.gz XDUCAXZSKZFFQW-CXAGYDPISA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(c3ccncc3C#N)CC2)O1 ZINC001057969474 773308257 /nfs/dbraw/zinc/30/82/57/773308257.db2.gz XDUCAXZSKZFFQW-CXAGYDPISA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057974237 773319562 /nfs/dbraw/zinc/31/95/62/773319562.db2.gz OJDLCAXZZKXDRH-SJORKVTESA-N 1 1 349.475 0.600 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001058039253 773405331 /nfs/dbraw/zinc/40/53/31/773405331.db2.gz UPSOCLHWDBMNJG-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001058134995 773605535 /nfs/dbraw/zinc/60/55/35/773605535.db2.gz UDMPRKMBBGQECD-CVEARBPZSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001058134995 773605538 /nfs/dbraw/zinc/60/55/38/773605538.db2.gz UDMPRKMBBGQECD-CVEARBPZSA-N 1 1 343.431 0.677 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058157902 773658348 /nfs/dbraw/zinc/65/83/48/773658348.db2.gz KFMJWYJHDAGKRZ-CVEARBPZSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058157777 773658600 /nfs/dbraw/zinc/65/86/00/773658600.db2.gz HUZGBKUQBLJUOZ-CVEARBPZSA-N 1 1 339.480 0.868 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058167527 773683859 /nfs/dbraw/zinc/68/38/59/773683859.db2.gz FMKVIXHXWOELOH-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058167527 773683864 /nfs/dbraw/zinc/68/38/64/773683864.db2.gz FMKVIXHXWOELOH-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)C2)O1 ZINC001058263986 773875153 /nfs/dbraw/zinc/87/51/53/773875153.db2.gz HXAFPYPVEUCHLY-UKPHBRMFSA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)C2)O1 ZINC001058263986 773875156 /nfs/dbraw/zinc/87/51/56/773875156.db2.gz HXAFPYPVEUCHLY-UKPHBRMFSA-N 1 1 343.431 0.757 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)O1 ZINC001058264177 773875810 /nfs/dbraw/zinc/87/58/10/773875810.db2.gz PBXOXXWOKWZTNQ-BPLDGKMQSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)O1 ZINC001058264177 773875816 /nfs/dbraw/zinc/87/58/16/773875816.db2.gz PBXOXXWOKWZTNQ-BPLDGKMQSA-N 1 1 344.419 0.152 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001058274954 773902421 /nfs/dbraw/zinc/90/24/21/773902421.db2.gz LPUAHEVDTXHQSY-KRWDZBQOSA-N 1 1 343.427 0.170 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001058286517 773921023 /nfs/dbraw/zinc/92/10/23/773921023.db2.gz ROGNNIOTFKBTJO-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058304241 773939158 /nfs/dbraw/zinc/93/91/58/773939158.db2.gz ZIVBBANSHVSONE-KBPBESRZSA-N 1 1 325.453 0.333 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001040636592 783149013 /nfs/dbraw/zinc/14/90/13/783149013.db2.gz LZPUMMGNEPBHRV-HRCADAONSA-N 1 1 325.416 0.942 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058403684 774114710 /nfs/dbraw/zinc/11/47/10/774114710.db2.gz VXGDGNUBBLYOHS-UONOGXRCSA-N 1 1 342.447 0.947 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058468163 774242926 /nfs/dbraw/zinc/24/29/26/774242926.db2.gz BXJJHEUHPSJDMI-CVEARBPZSA-N 1 1 339.480 0.868 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)C1 ZINC001058521278 774353315 /nfs/dbraw/zinc/35/33/15/774353315.db2.gz ITYVMGGLFCDARZ-ZIAGYGMSSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)C1 ZINC001058521278 774353324 /nfs/dbraw/zinc/35/33/24/774353324.db2.gz ITYVMGGLFCDARZ-ZIAGYGMSSA-N 1 1 344.419 0.152 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(c1cncc(C#N)n1)CC2 ZINC001058627314 774566364 /nfs/dbraw/zinc/56/63/64/774566364.db2.gz NZXWJBWKDFNUIY-CABCVRRESA-N 1 1 340.431 0.918 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2nc[nH]n2)C1=O ZINC001044983097 774798241 /nfs/dbraw/zinc/79/82/41/774798241.db2.gz LZXDAZHOYGNVHU-KBPBESRZSA-N 1 1 346.435 0.105 20 30 ECEDMO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1)c1nncn1C ZINC001044999829 774817554 /nfs/dbraw/zinc/81/75/54/774817554.db2.gz NYMIZTBFPBLUDC-AAEUAGOBSA-N 1 1 327.392 0.970 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)n1C ZINC001045000404 774817582 /nfs/dbraw/zinc/81/75/82/774817582.db2.gz GVJZYDSBSVLLRY-ZDUSSCGKSA-N 1 1 341.419 0.972 20 30 ECEDMO CCn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001045000742 774818663 /nfs/dbraw/zinc/81/86/63/774818663.db2.gz WRKFUDUJZWSSGQ-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001045006360 774829326 /nfs/dbraw/zinc/82/93/26/774829326.db2.gz APGARJHEJIOEBT-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001045059926 774913259 /nfs/dbraw/zinc/91/32/59/774913259.db2.gz YQACWXBEIHGGBT-GJZGRUSLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001043850262 775096764 /nfs/dbraw/zinc/09/67/64/775096764.db2.gz ASRMNROXHSVFQK-JKSUJKDBSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070018038 790342525 /nfs/dbraw/zinc/34/25/25/790342525.db2.gz PFZBIVPABOUJBM-CVEARBPZSA-N 1 1 331.420 0.933 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]2O)C1 ZINC001043966306 775419284 /nfs/dbraw/zinc/41/92/84/775419284.db2.gz OPHRCLOAUZRWEU-XFJVYGCCSA-N 1 1 332.379 0.315 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001043992752 775475116 /nfs/dbraw/zinc/47/51/16/775475116.db2.gz NCLBCXBBMQLJOL-PMPSAXMXSA-N 1 1 343.431 0.493 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001044010662 775505400 /nfs/dbraw/zinc/50/54/00/775505400.db2.gz ACMHVPPFAKKCSJ-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO Cc1nsc(N2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1C#N ZINC001044062523 775619431 /nfs/dbraw/zinc/61/94/31/775619431.db2.gz GKSQJLONNNITJX-BNOWGMLFSA-N 1 1 349.460 0.331 20 30 ECEDMO Cc1nc(N2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)ccc1C#N ZINC001044062451 775619776 /nfs/dbraw/zinc/61/97/76/775619776.db2.gz DGAVAOSMLHPFDC-BMFZPTHFSA-N 1 1 343.431 0.269 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c(C#N)cn1 ZINC001044062915 775621158 /nfs/dbraw/zinc/62/11/58/775621158.db2.gz RMAPIUGYJCJVED-UNEWFSDZSA-N 1 1 343.431 0.269 20 30 ECEDMO CC1(NC(=O)[C@H]2CNC(=O)N2)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001045542220 775764702 /nfs/dbraw/zinc/76/47/02/775764702.db2.gz HXRQXRJEFZZEST-OAHLLOKOSA-N 1 1 341.415 0.710 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 ZINC001045552195 775782092 /nfs/dbraw/zinc/78/20/92/775782092.db2.gz QVBYKQNENOFOKY-KGLIPLIRSA-N 1 1 336.436 0.098 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C=C)[C@@H](n2ccnn2)C1 ZINC001070031227 790392183 /nfs/dbraw/zinc/39/21/83/790392183.db2.gz LXKWMLNXWBFGRV-WCVJEAGWSA-N 1 1 329.404 0.234 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001044290489 776065180 /nfs/dbraw/zinc/06/51/80/776065180.db2.gz ADMAQODUALXQQF-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCN1C(=O)CNC1=O ZINC001045735573 776111043 /nfs/dbraw/zinc/11/10/43/776111043.db2.gz PMOOWZCAMJFPJC-MJBXVCDLSA-N 1 1 347.419 0.153 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070039575 790418085 /nfs/dbraw/zinc/41/80/85/790418085.db2.gz LPXQJJIKEIUSKR-KGLIPLIRSA-N 1 1 328.376 0.528 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070039575 790418095 /nfs/dbraw/zinc/41/80/95/790418095.db2.gz LPXQJJIKEIUSKR-KGLIPLIRSA-N 1 1 328.376 0.528 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(COC)on2)[C@@H](n2ccnn2)C1 ZINC001070045544 790439226 /nfs/dbraw/zinc/43/92/26/790439226.db2.gz HOVCNSCGKHUPOO-CABCVRRESA-N 1 1 346.391 0.644 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001044479351 776342257 /nfs/dbraw/zinc/34/22/57/776342257.db2.gz XGQGRUAHKKXBFN-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)n1 ZINC001044537743 776407716 /nfs/dbraw/zinc/40/77/16/776407716.db2.gz DJACEBQNQUSJQZ-BMFZPTHFSA-N 1 1 343.431 0.412 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O ZINC001044538439 776407953 /nfs/dbraw/zinc/40/79/53/776407953.db2.gz NALYDEZAZFKBTL-VMGRFDJRSA-N 1 1 346.406 0.847 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001044560187 776440190 /nfs/dbraw/zinc/44/01/90/776440190.db2.gz RIWARJVOCIDTHZ-GHMZBOCLSA-N 1 1 328.380 0.193 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)C[C@H]1C ZINC001044630153 776543438 /nfs/dbraw/zinc/54/34/38/776543438.db2.gz UHXPUZAXMFLRLH-KGLIPLIRSA-N 1 1 343.435 0.981 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001079689591 776691229 /nfs/dbraw/zinc/69/12/29/776691229.db2.gz GJYHIASAEQPDAH-SFHVURJKSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001079689736 776691568 /nfs/dbraw/zinc/69/15/68/776691568.db2.gz JBCAEEVMCVHWSL-QGZVFWFLSA-N 1 1 334.420 0.578 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001079741500 776784702 /nfs/dbraw/zinc/78/47/02/776784702.db2.gz JXIBPAPNANPYOS-WBVHZDCISA-N 1 1 345.443 0.322 20 30 ECEDMO C#CCCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001079865292 776997986 /nfs/dbraw/zinc/99/79/86/776997986.db2.gz BPLYCOYXLBSTKZ-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001079865292 776997992 /nfs/dbraw/zinc/99/79/92/776997992.db2.gz BPLYCOYXLBSTKZ-QGZVFWFLSA-N 1 1 349.475 0.960 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001079867759 777000322 /nfs/dbraw/zinc/00/03/22/777000322.db2.gz OUJFETXHBBVBKU-KBRIMQKVSA-N 1 1 325.412 0.973 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001079867701 777000515 /nfs/dbraw/zinc/00/05/15/777000515.db2.gz LLMZZIOOPGPSLK-XOKHGSTOSA-N 1 1 325.412 0.973 20 30 ECEDMO C#CCC1(C(=O)N(CC)C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CCC1 ZINC001079890572 777030004 /nfs/dbraw/zinc/03/00/04/777030004.db2.gz YWVVFNOYRGUIMC-MRXNPFEDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC1(C(=O)N(CC)C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CCC1 ZINC001079890572 777030007 /nfs/dbraw/zinc/03/00/07/777030007.db2.gz YWVVFNOYRGUIMC-MRXNPFEDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001079899592 777044164 /nfs/dbraw/zinc/04/41/64/777044164.db2.gz GGGWLKYUWOLJDJ-RDJZCZTQSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070073222 790510897 /nfs/dbraw/zinc/51/08/97/790510897.db2.gz AMNKPUQBRIQOOV-CVEARBPZSA-N 1 1 341.419 0.734 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070073222 790510904 /nfs/dbraw/zinc/51/09/04/790510904.db2.gz AMNKPUQBRIQOOV-CVEARBPZSA-N 1 1 341.419 0.734 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2conc2COC)[C@@H](n2ccnn2)C1 ZINC001070075290 790518749 /nfs/dbraw/zinc/51/87/49/790518749.db2.gz VRXBOPSIVCVJHL-HIFRSBDPSA-N 1 1 346.391 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](C)CCOC)C1 ZINC001080009205 777222235 /nfs/dbraw/zinc/22/22/35/777222235.db2.gz UWSZCNRLDSCHHR-RDJZCZTQSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](C)CCOC)C1 ZINC001080009205 777222242 /nfs/dbraw/zinc/22/22/42/777222242.db2.gz UWSZCNRLDSCHHR-RDJZCZTQSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070076074 790520970 /nfs/dbraw/zinc/52/09/70/790520970.db2.gz IEFWJFOXQQUODR-UAGQMJEPSA-N 1 1 338.415 0.842 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001080051270 777305713 /nfs/dbraw/zinc/30/57/13/777305713.db2.gz QPLZYCDYXCSBEA-MAUKXSAKSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001070079757 790532233 /nfs/dbraw/zinc/53/22/33/790532233.db2.gz RVUXAZCRGBVQDP-PMPSAXMXSA-N 1 1 346.435 0.207 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001070079757 790532239 /nfs/dbraw/zinc/53/22/39/790532239.db2.gz RVUXAZCRGBVQDP-PMPSAXMXSA-N 1 1 346.435 0.207 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080140510 777450567 /nfs/dbraw/zinc/45/05/67/777450567.db2.gz UODUYQBSJLWLRO-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001080177730 777507426 /nfs/dbraw/zinc/50/74/26/777507426.db2.gz XWJMFKWOCMNUCN-TVFCKZIOSA-N 1 1 349.475 0.326 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001080230248 777584342 /nfs/dbraw/zinc/58/43/42/777584342.db2.gz NDOMXSDCJYUXGD-ZIAGYGMSSA-N 1 1 329.404 0.509 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261176 777622179 /nfs/dbraw/zinc/62/21/79/777622179.db2.gz FDMYAFZKLGMWFG-DJSGYFEHSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261176 777622185 /nfs/dbraw/zinc/62/21/85/777622185.db2.gz FDMYAFZKLGMWFG-DJSGYFEHSA-N 1 1 344.390 0.770 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001080313546 777669665 /nfs/dbraw/zinc/66/96/65/777669665.db2.gz QTPDZKQQXXIYSU-YUELXQCFSA-N 1 1 332.404 0.441 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080359452 777746273 /nfs/dbraw/zinc/74/62/73/777746273.db2.gz NOFLPESSFYFPMO-BYCMXARLSA-N 1 1 327.388 0.176 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043132449 777792423 /nfs/dbraw/zinc/79/24/23/777792423.db2.gz DRYWYINRNOQQOW-UHFFFAOYSA-N 1 1 332.404 0.075 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043133991 777798464 /nfs/dbraw/zinc/79/84/64/777798464.db2.gz YDKKESNRLZAYEJ-STQMWFEESA-N 1 1 334.420 0.339 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001080437574 777856886 /nfs/dbraw/zinc/85/68/86/777856886.db2.gz VLYAHJTZQVKCOA-WCXIOVBPSA-N 1 1 347.459 0.616 20 30 ECEDMO O=C(C#CC1CC1)N1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001043235138 778023919 /nfs/dbraw/zinc/02/39/19/778023919.db2.gz GMOKUJBEIPYWHV-HOTGVXAUSA-N 1 1 345.443 0.106 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001043235550 778027298 /nfs/dbraw/zinc/02/72/98/778027298.db2.gz UJTZTCPMUDFXCQ-GJZGRUSLSA-N 1 1 349.475 0.905 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080560097 778039946 /nfs/dbraw/zinc/03/99/46/778039946.db2.gz WABTXVVEOXGTSH-CABCVRRESA-N 1 1 335.448 0.426 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2C)nn1 ZINC001080577863 778082272 /nfs/dbraw/zinc/08/22/72/778082272.db2.gz PTJGLFQLTQHVIE-RBSFLKMASA-N 1 1 333.436 0.941 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2C)nn1 ZINC001080579030 778083858 /nfs/dbraw/zinc/08/38/58/778083858.db2.gz KUWMBIUWERBKGA-TZMCWYRMSA-N 1 1 329.408 0.448 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2C)nn1 ZINC001080579030 778083870 /nfs/dbraw/zinc/08/38/70/778083870.db2.gz KUWMBIUWERBKGA-TZMCWYRMSA-N 1 1 329.408 0.448 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)O1 ZINC001068568984 790593650 /nfs/dbraw/zinc/59/36/50/790593650.db2.gz MXOOJTANGHEAEN-JKSUJKDBSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC001068570904 790599991 /nfs/dbraw/zinc/59/99/91/790599991.db2.gz FKZQZHFIEPQVJF-JKSUJKDBSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CCC1 ZINC001043349224 778204497 /nfs/dbraw/zinc/20/44/97/778204497.db2.gz HLZLCWKJZUCGLA-HNNXBMFYSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CCC1 ZINC001043351218 778207644 /nfs/dbraw/zinc/20/76/44/778207644.db2.gz XEYCIPCRJGRQCR-OAHLLOKOSA-N 1 1 347.459 0.354 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(C#N)n2)C1 ZINC001043404823 778281710 /nfs/dbraw/zinc/28/17/10/778281710.db2.gz ZYQXRMIKMDSKIK-BXUZGUMPSA-N 1 1 325.376 0.812 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H](n2ccnn2)C1 ZINC001070107290 790625406 /nfs/dbraw/zinc/62/54/06/790625406.db2.gz YSKVDULJEIGLQL-MCZKYTFGSA-N 1 1 339.443 0.935 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001043597643 778567762 /nfs/dbraw/zinc/56/77/62/778567762.db2.gz XXGKKQKJWGJIPK-QHSBEEBCSA-N 1 1 344.419 0.326 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001043597643 778567768 /nfs/dbraw/zinc/56/77/68/778567768.db2.gz XXGKKQKJWGJIPK-QHSBEEBCSA-N 1 1 344.419 0.326 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)C#CC3CC3)CCOCC2)C1 ZINC001070111894 790642202 /nfs/dbraw/zinc/64/22/02/790642202.db2.gz DUCASVOWGQBWOP-HNNXBMFYSA-N 1 1 347.459 0.523 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001043663040 778684187 /nfs/dbraw/zinc/68/41/87/778684187.db2.gz WLFGLHOUWDOMKW-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO Cc1cc(N2C[C@H]3OCCN(C(=O)C#CC4CC4)[C@H]3C2)nc(C)[nH+]1 ZINC001043720960 778771687 /nfs/dbraw/zinc/77/16/87/778771687.db2.gz RHMOURFMWIWRND-JKSUJKDBSA-N 1 1 326.400 0.923 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)C#CC(C)C)C2)O1 ZINC001068598499 790676012 /nfs/dbraw/zinc/67/60/12/790676012.db2.gz QNDWDOWEXFYGSI-INIZCTEOSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070132416 790711626 /nfs/dbraw/zinc/71/16/26/790711626.db2.gz AYQQTAQGNNXFBH-HZPDHXFCSA-N 1 1 349.475 0.912 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C#CC3CC3)CCOCC2)CC[N@H+]1C ZINC001070132512 790711815 /nfs/dbraw/zinc/71/18/15/790711815.db2.gz GRLHPLLMVCXGDK-GDBMZVCRSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2nccc(OC)n2)C1 ZINC001068615145 790714509 /nfs/dbraw/zinc/71/45/09/790714509.db2.gz LWVPKCPHRAKQAM-KKUMJFAQSA-N 1 1 343.431 0.890 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2nccc(OC)n2)C1 ZINC001068615145 790714516 /nfs/dbraw/zinc/71/45/16/790714516.db2.gz LWVPKCPHRAKQAM-KKUMJFAQSA-N 1 1 343.431 0.890 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 ZINC001042309272 780045449 /nfs/dbraw/zinc/04/54/49/780045449.db2.gz BLDNSEONQFTMFJ-KBPBESRZSA-N 1 1 334.420 0.379 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)C[C@@H]21 ZINC001042313440 780055075 /nfs/dbraw/zinc/05/50/75/780055075.db2.gz UFXWIACHZBOIDH-ZFWWWQNUSA-N 1 1 339.399 0.995 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CCC2(CN(C(=O)C#CC(C)C)C2)O1 ZINC001068632662 790757882 /nfs/dbraw/zinc/75/78/82/790757882.db2.gz RXRVBZNOUDEQOT-MRXNPFEDSA-N 1 1 349.475 0.864 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC)[C@H]3C2)nc1 ZINC001042316681 780060358 /nfs/dbraw/zinc/06/03/58/780060358.db2.gz QWNUBVSKBQNCAU-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC)[C@H]3C2)nc1 ZINC001042316681 780060368 /nfs/dbraw/zinc/06/03/68/780060368.db2.gz QWNUBVSKBQNCAU-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C(=O)NC)n3)C[C@H]21 ZINC001042325414 780075038 /nfs/dbraw/zinc/07/50/38/780075038.db2.gz FNJNBVCRFARFHI-CZUORRHYSA-N 1 1 326.400 0.611 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 ZINC001042333012 780086696 /nfs/dbraw/zinc/08/66/96/780086696.db2.gz MPUGMKZBCWSBBN-CABCVRRESA-N 1 1 333.436 0.389 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]21 ZINC001042388616 780191948 /nfs/dbraw/zinc/19/19/48/780191948.db2.gz SDCMZZRQFGCQBU-CZUORRHYSA-N 1 1 326.400 0.740 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@@H]1n1ccnn1 ZINC001070155960 790775461 /nfs/dbraw/zinc/77/54/61/790775461.db2.gz KZUCQVQMYZXJLF-FRRDWIJNSA-N 1 1 327.816 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001078668359 780325038 /nfs/dbraw/zinc/32/50/38/780325038.db2.gz OJKMRLIEXZUTMM-BIVLZKPYSA-N 1 1 347.459 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001078668359 780325042 /nfs/dbraw/zinc/32/50/42/780325042.db2.gz OJKMRLIEXZUTMM-BIVLZKPYSA-N 1 1 347.459 0.663 20 30 ECEDMO Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159651 790787245 /nfs/dbraw/zinc/78/72/45/790787245.db2.gz LZLAFYFXGPXUIF-WCQGTBRESA-N 1 1 346.420 0.139 20 30 ECEDMO Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159589 790787406 /nfs/dbraw/zinc/78/74/06/790787406.db2.gz JEEHHPISLFCBDX-GDLCADMTSA-N 1 1 329.364 0.276 20 30 ECEDMO CN(C(=O)C#CC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001078949929 780644465 /nfs/dbraw/zinc/64/44/65/780644465.db2.gz AIYHBGSEKUAZLA-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C(=O)C#CC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001078949929 780644467 /nfs/dbraw/zinc/64/44/67/780644467.db2.gz AIYHBGSEKUAZLA-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001042776835 780796740 /nfs/dbraw/zinc/79/67/40/780796740.db2.gz VFQNOQIGOXLOIB-OWCLPIDISA-N 1 1 343.431 0.676 20 30 ECEDMO C=C(C)CCC(=O)NCCCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001079161012 780835352 /nfs/dbraw/zinc/83/53/52/780835352.db2.gz RSDGVJZODGOWDF-UHFFFAOYSA-N 1 1 338.452 0.259 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001042798595 780839354 /nfs/dbraw/zinc/83/93/54/780839354.db2.gz ADGHRMBRZYYUBD-HOTGVXAUSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CC[NH+]1CCC2(CN(C(=O)CCc3nc[nH]n3)[C@@H]3COC[C@@H]32)CC1 ZINC001079233766 780909109 /nfs/dbraw/zinc/90/91/09/780909109.db2.gz VWPIRTBPEJJGHZ-LSDHHAIUSA-N 1 1 345.447 0.863 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001042835461 780913933 /nfs/dbraw/zinc/91/39/33/780913933.db2.gz IIAZRTKZFXJBNO-APHBMKBZSA-N 1 1 329.404 0.225 20 30 ECEDMO CN(c1ccnc(C#N)n1)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001068663737 790834968 /nfs/dbraw/zinc/83/49/68/790834968.db2.gz JIEOBYZHGURTNZ-CQSZACIVSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1ccnc(C#N)n1)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001068663737 790834977 /nfs/dbraw/zinc/83/49/77/790834977.db2.gz JIEOBYZHGURTNZ-CQSZACIVSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1ccc(C#N)nc1)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001068663982 790835873 /nfs/dbraw/zinc/83/58/73/790835873.db2.gz RJGDVVSTDKZVHG-QGZVFWFLSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(c1ccc(C#N)nc1)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001068663982 790835883 /nfs/dbraw/zinc/83/58/83/790835883.db2.gz RJGDVVSTDKZVHG-QGZVFWFLSA-N 1 1 343.431 0.711 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042860936 780954831 /nfs/dbraw/zinc/95/48/31/780954831.db2.gz KGJHQAFBRDPBTG-FRFSOERESA-N 1 1 343.431 0.615 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001079343390 781006893 /nfs/dbraw/zinc/00/68/93/781006893.db2.gz FRRZDQCSLHNCAS-LBPRGKRZSA-N 1 1 349.460 0.904 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001042941573 781074181 /nfs/dbraw/zinc/07/41/81/781074181.db2.gz ODHIULQUJZIFAG-UHFFFAOYSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(C)C)CO2 ZINC001068670745 790853342 /nfs/dbraw/zinc/85/33/42/790853342.db2.gz SRYUXDBEBLOFAB-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(C)C)CO2 ZINC001068670745 790853353 /nfs/dbraw/zinc/85/33/53/790853353.db2.gz SRYUXDBEBLOFAB-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001042977189 781127817 /nfs/dbraw/zinc/12/78/17/781127817.db2.gz GYONNFCAVGAQOG-NWANDNLSSA-N 1 1 344.419 0.010 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001042978337 781128592 /nfs/dbraw/zinc/12/85/92/781128592.db2.gz YWSRWKLBFZZTIL-NUEKZKHPSA-N 1 1 343.431 0.615 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnsn3)C2)C1=O ZINC001079455848 781139221 /nfs/dbraw/zinc/13/92/21/781139221.db2.gz CSMMLDSOMCDOMB-RTXFEEFZSA-N 1 1 335.433 0.375 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnsn3)C2)C1=O ZINC001079455848 781139223 /nfs/dbraw/zinc/13/92/23/781139223.db2.gz CSMMLDSOMCDOMB-RTXFEEFZSA-N 1 1 335.433 0.375 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079525833 781220781 /nfs/dbraw/zinc/22/07/81/781220781.db2.gz DZESGQJKOPMPRP-ZTFGCOKTSA-N 1 1 342.443 0.825 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079601214 781307232 /nfs/dbraw/zinc/30/72/32/781307232.db2.gz OJAOKWCQCFYYOW-IUODEOHRSA-N 1 1 340.387 0.492 20 30 ECEDMO CN(c1ccc(C#N)nn1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001068679172 790878919 /nfs/dbraw/zinc/87/89/19/790878919.db2.gz MOXKKHXYJCKWRP-CYBMUJFWSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041420833 781472016 /nfs/dbraw/zinc/47/20/16/781472016.db2.gz FDHZFLJIKNIQJS-KDOFPFPSSA-N 1 1 343.431 0.494 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041422790 781475163 /nfs/dbraw/zinc/47/51/63/781475163.db2.gz QUQNMTZQFGDZLY-SUMWQHHRSA-N 1 1 331.420 0.657 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O ZINC001041430649 781492385 /nfs/dbraw/zinc/49/23/85/781492385.db2.gz VRHVGHOGWNEJRY-FVQBIDKESA-N 1 1 329.404 0.103 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001077679014 781492734 /nfs/dbraw/zinc/49/27/34/781492734.db2.gz DXWXHCXTADTHOV-HUUCEWRRSA-N 1 1 331.420 0.428 20 30 ECEDMO C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680609 781498376 /nfs/dbraw/zinc/49/83/76/781498376.db2.gz OVLQLFNVZXZAQH-CKEIUWERSA-N 1 1 327.444 0.936 20 30 ECEDMO C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680609 781498386 /nfs/dbraw/zinc/49/83/86/781498386.db2.gz OVLQLFNVZXZAQH-CKEIUWERSA-N 1 1 327.444 0.936 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1O ZINC001077694416 781531058 /nfs/dbraw/zinc/53/10/58/781531058.db2.gz QRNNUKBLIYSVNV-DZUCGIPZSA-N 1 1 331.416 0.642 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1O ZINC001077694416 781531062 /nfs/dbraw/zinc/53/10/62/781531062.db2.gz QRNNUKBLIYSVNV-DZUCGIPZSA-N 1 1 331.416 0.642 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451548 781544486 /nfs/dbraw/zinc/54/44/86/781544486.db2.gz NCUGAFFWFYPCNC-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451548 781544494 /nfs/dbraw/zinc/54/44/94/781544494.db2.gz NCUGAFFWFYPCNC-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708275 781559077 /nfs/dbraw/zinc/55/90/77/781559077.db2.gz BJKSRNXEMHYDDL-XMTFNYHQSA-N 1 1 329.444 0.679 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2c3ccccc3CC2=O)C1 ZINC001077739443 781628236 /nfs/dbraw/zinc/62/82/36/781628236.db2.gz SECHBLFUHDWOMA-GDBMZVCRSA-N 1 1 329.400 0.313 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2C(F)(F)F)C1 ZINC001077740221 781628952 /nfs/dbraw/zinc/62/89/52/781628952.db2.gz CLZQNWWXFNOSCC-CHWSQXEVSA-N 1 1 327.306 0.899 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2C(F)(F)F)C1 ZINC001077740221 781628957 /nfs/dbraw/zinc/62/89/57/781628957.db2.gz CLZQNWWXFNOSCC-CHWSQXEVSA-N 1 1 327.306 0.899 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001077742537 781630936 /nfs/dbraw/zinc/63/09/36/781630936.db2.gz GCSABSIJFNNSFB-ZIAGYGMSSA-N 1 1 337.445 0.735 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001077742537 781630943 /nfs/dbraw/zinc/63/09/43/781630943.db2.gz GCSABSIJFNNSFB-ZIAGYGMSSA-N 1 1 337.445 0.735 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001041505078 781651704 /nfs/dbraw/zinc/65/17/04/781651704.db2.gz IUKGOOZSHGDQDS-JKSUJKDBSA-N 1 1 343.431 0.934 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCCS3(=O)=O)C2)C1 ZINC001041504974 781652342 /nfs/dbraw/zinc/65/23/42/781652342.db2.gz DQICNAYUPIGPAL-WBVHZDCISA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCCS3(=O)=O)C2)C1 ZINC001041504974 781652345 /nfs/dbraw/zinc/65/23/45/781652345.db2.gz DQICNAYUPIGPAL-WBVHZDCISA-N 1 1 338.473 0.901 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)C2)C1 ZINC001041522102 781690286 /nfs/dbraw/zinc/69/02/86/781690286.db2.gz CYUKFABNGJPVJI-INIZCTEOSA-N 1 1 342.407 0.418 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)cc1 ZINC001077797978 781713408 /nfs/dbraw/zinc/71/34/08/781713408.db2.gz SHCXHAFOKDGACH-ZTFGCOKTSA-N 1 1 344.411 0.510 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001041542544 781737783 /nfs/dbraw/zinc/73/77/83/781737783.db2.gz DOIIQZYOZXAXHU-SWLSCSKDSA-N 1 1 326.828 0.687 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001041542544 781737787 /nfs/dbraw/zinc/73/77/87/781737787.db2.gz DOIIQZYOZXAXHU-SWLSCSKDSA-N 1 1 326.828 0.687 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001077827754 781769484 /nfs/dbraw/zinc/76/94/84/781769484.db2.gz GOESWYIXMNNGCK-MWLCHTKSSA-N 1 1 334.405 0.279 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001077827754 781769489 /nfs/dbraw/zinc/76/94/89/781769489.db2.gz GOESWYIXMNNGCK-MWLCHTKSSA-N 1 1 334.405 0.279 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001077869310 781844067 /nfs/dbraw/zinc/84/40/67/781844067.db2.gz ZGEWSKRMHQBKGJ-HUUCEWRRSA-N 1 1 332.404 0.781 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001077876809 781855214 /nfs/dbraw/zinc/85/52/14/781855214.db2.gz KSYVQDCJIFJFPJ-BZUAXINKSA-N 1 1 327.384 0.046 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001040728098 783338763 /nfs/dbraw/zinc/33/87/63/783338763.db2.gz WPYYYSCNHKFQET-MAUKXSAKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1 ZINC001070161166 783566845 /nfs/dbraw/zinc/56/68/45/783566845.db2.gz YBVHTIWJASHGIB-OLZOCXBDSA-N 1 1 336.783 0.603 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070172951 783592810 /nfs/dbraw/zinc/59/28/10/783592810.db2.gz VYIYQRYEXNEGSP-KGLIPLIRSA-N 1 1 336.436 0.269 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070172953 783593245 /nfs/dbraw/zinc/59/32/45/783593245.db2.gz VYIYQRYEXNEGSP-ZIAGYGMSSA-N 1 1 336.436 0.269 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070183359 783610066 /nfs/dbraw/zinc/61/00/66/783610066.db2.gz CWTNYRHRIXFQEK-UHFFFAOYSA-N 1 1 349.475 0.913 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1 ZINC001070186819 783618946 /nfs/dbraw/zinc/61/89/46/783618946.db2.gz QEEGSHJNWLGXSI-NEPJUHHUSA-N 1 1 327.816 0.533 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C[C@@H]1n1ccnn1 ZINC001070194865 783634105 /nfs/dbraw/zinc/63/41/05/783634105.db2.gz QJXOCYZJYOMLPD-WQVCFCJDSA-N 1 1 341.419 0.649 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001070207536 783658761 /nfs/dbraw/zinc/65/87/61/783658761.db2.gz AYWQRKSICIKRRN-KGLIPLIRSA-N 1 1 349.826 0.728 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CC(OC)C2)C[C@@H]1n1ccnn1 ZINC001070214650 783672328 /nfs/dbraw/zinc/67/23/28/783672328.db2.gz ZAFAQSNKDWIGNW-PQAZSJQKSA-N 1 1 339.827 0.797 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC001070254753 783751281 /nfs/dbraw/zinc/75/12/81/783751281.db2.gz WIJPIAIJULCBEU-KBPBESRZSA-N 1 1 336.436 0.269 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2cc(F)ccc2C#N)C1 ZINC001038138831 783907202 /nfs/dbraw/zinc/90/72/02/783907202.db2.gz YEFOLCNJHFCBPN-IRXDYDNUSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2cc(F)ccc2C#N)C1 ZINC001038138831 783907207 /nfs/dbraw/zinc/90/72/07/783907207.db2.gz YEFOLCNJHFCBPN-IRXDYDNUSA-N 1 1 346.406 0.718 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H]2CCc3ncnn32)[nH]1 ZINC001038172030 783947455 /nfs/dbraw/zinc/94/74/55/783947455.db2.gz DYPHRZISZVRWEC-QWHCGFSZSA-N 1 1 325.376 0.469 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H]2CCc3ncnn32)[nH]1 ZINC001038172031 783947686 /nfs/dbraw/zinc/94/76/86/783947686.db2.gz DYPHRZISZVRWEC-STQMWFEESA-N 1 1 325.376 0.469 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H]2CCNC(=O)CC2)c[nH]1 ZINC001038173550 783949388 /nfs/dbraw/zinc/94/93/88/783949388.db2.gz AHHKECYZGRHUBZ-WFASDCNBSA-N 1 1 329.404 0.607 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)cn2)C1 ZINC001070403620 783980448 /nfs/dbraw/zinc/98/04/48/783980448.db2.gz XRRHJDSCXRBLFG-ZDUSSCGKSA-N 1 1 326.404 0.886 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(CC)n2)C1 ZINC001070408409 783993396 /nfs/dbraw/zinc/99/33/96/783993396.db2.gz QVCTYDSHGUCGBK-GFCCVEGCSA-N 1 1 329.408 0.926 20 30 ECEDMO C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001070409646 783997471 /nfs/dbraw/zinc/99/74/71/783997471.db2.gz IZLJNUDSBUIFDV-NVXWUHKLSA-N 1 1 341.459 0.790 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001070411217 784000356 /nfs/dbraw/zinc/00/03/56/784000356.db2.gz HBFZBRCCPIEZRU-UONOGXRCSA-N 1 1 345.447 0.870 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 ZINC001070414972 784015575 /nfs/dbraw/zinc/01/55/75/784015575.db2.gz VVWMHUGHLVTCHW-UKRRQHHQSA-N 1 1 330.436 0.823 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2[nH]nnc2C)C1 ZINC001070420355 784029184 /nfs/dbraw/zinc/02/91/84/784029184.db2.gz XNHLCQZXLQKXNV-LBPRGKRZSA-N 1 1 327.392 0.579 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001070424310 784039101 /nfs/dbraw/zinc/03/91/01/784039101.db2.gz HMMFBZZFWZZYMG-KWCYVHTRSA-N 1 1 347.419 0.034 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001070429797 784048619 /nfs/dbraw/zinc/04/86/19/784048619.db2.gz RAJUMUYULHSCHK-NSHDSACASA-N 1 1 340.387 0.189 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(CC)nn2)C1 ZINC001070430840 784049888 /nfs/dbraw/zinc/04/98/88/784049888.db2.gz FAWKPKIVZUPHHR-ZDUSSCGKSA-N 1 1 341.419 0.764 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(CCC)nn2)C1 ZINC001070430989 784052389 /nfs/dbraw/zinc/05/23/89/784052389.db2.gz JIXHPCGWHKRXPU-CYBMUJFWSA-N 1 1 341.419 0.764 20 30 ECEDMO CC#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070433009 784058447 /nfs/dbraw/zinc/05/84/47/784058447.db2.gz XYYQEKKVWSHSDW-OAHLLOKOSA-N 1 1 341.459 0.934 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001070434376 784062879 /nfs/dbraw/zinc/06/28/79/784062879.db2.gz TVZYCCBISAVAOD-ZFWWWQNUSA-N 1 1 343.431 0.459 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001070435682 784066519 /nfs/dbraw/zinc/06/65/19/784066519.db2.gz NXLCKBJFEJWLDW-GOEBONIOSA-N 1 1 343.431 0.459 20 30 ECEDMO C=CCCOCC(=O)N1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001070904892 784086051 /nfs/dbraw/zinc/08/60/51/784086051.db2.gz IBTGHUMGOGNPCL-OAHLLOKOSA-N 1 1 334.420 0.891 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070905500 784087307 /nfs/dbraw/zinc/08/73/07/784087307.db2.gz AKPHZDGAMIDXHW-KFWWJZLASA-N 1 1 343.387 0.153 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070905500 784087311 /nfs/dbraw/zinc/08/73/11/784087311.db2.gz AKPHZDGAMIDXHW-KFWWJZLASA-N 1 1 343.387 0.153 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cncnc1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444347 784094153 /nfs/dbraw/zinc/09/41/53/784094153.db2.gz OELVTIIXZAWNOM-CQSZACIVSA-N 1 1 339.403 0.631 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001070907768 784094673 /nfs/dbraw/zinc/09/46/73/784094673.db2.gz XYEGHIYPGQGRSL-YUELXQCFSA-N 1 1 344.371 0.417 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001070907768 784094679 /nfs/dbraw/zinc/09/46/79/784094679.db2.gz XYEGHIYPGQGRSL-YUELXQCFSA-N 1 1 344.371 0.417 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)Cc1ncc[nH]1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070449153 784106048 /nfs/dbraw/zinc/10/60/48/784106048.db2.gz MKPVGYYRWAJHOI-CYBMUJFWSA-N 1 1 341.419 0.493 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1OCC[C@H]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070449149 784106400 /nfs/dbraw/zinc/10/64/00/784106400.db2.gz MEJZGUCHWNPMOI-SNPRPXQTSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ccn(C)n1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451302 784113186 /nfs/dbraw/zinc/11/31/86/784113186.db2.gz XVQGFDNKPVDLLJ-CYBMUJFWSA-N 1 1 341.419 0.574 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCCOC)C1 ZINC001070921667 784118530 /nfs/dbraw/zinc/11/85/30/784118530.db2.gz ILVYAZXDNMKWIR-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCCOC)C1 ZINC001070921667 784118539 /nfs/dbraw/zinc/11/85/39/784118539.db2.gz ILVYAZXDNMKWIR-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnns2)C1 ZINC001070476571 784159053 /nfs/dbraw/zinc/15/90/53/784159053.db2.gz RLVLZURIGDDTRF-SCDSUCTJSA-N 1 1 345.432 0.515 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(C)c2cncc(C#N)n2)CC1 ZINC001068727559 791006805 /nfs/dbraw/zinc/00/68/05/791006805.db2.gz RSUZARGKHMUZRW-XJKSGUPXSA-N 1 1 342.447 0.973 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955384 784217357 /nfs/dbraw/zinc/21/73/57/784217357.db2.gz UODXHGPSKJVGAU-UHFFFAOYSA-N 1 1 327.388 0.174 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955384 784217362 /nfs/dbraw/zinc/21/73/62/784217362.db2.gz UODXHGPSKJVGAU-UHFFFAOYSA-N 1 1 327.388 0.174 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1c1cn(C)cn1 ZINC001070530148 784234308 /nfs/dbraw/zinc/23/43/08/784234308.db2.gz PTGSYUCSYZDCSN-WCQYABFASA-N 1 1 330.392 0.243 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(=O)NCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC001070961967 784237862 /nfs/dbraw/zinc/23/78/62/784237862.db2.gz AIIDMYLAUFOUOY-QGZVFWFLSA-N 1 1 347.459 0.619 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H](NCC#N)C2)C1 ZINC001070534709 784239309 /nfs/dbraw/zinc/23/93/09/784239309.db2.gz KAYMHNICZJBYFL-OFQRWUPVSA-N 1 1 330.436 0.169 20 30 ECEDMO CC[C@H](C[N@@H+]1CCNC(=O)CCN(C(=O)C#CC2CC2)CC1)OC ZINC001070962319 784240363 /nfs/dbraw/zinc/24/03/63/784240363.db2.gz OFAGYOKHGSWQTI-MRXNPFEDSA-N 1 1 335.448 0.475 20 30 ECEDMO CC[C@H](C[N@H+]1CCNC(=O)CCN(C(=O)C#CC2CC2)CC1)OC ZINC001070962319 784240370 /nfs/dbraw/zinc/24/03/70/784240370.db2.gz OFAGYOKHGSWQTI-MRXNPFEDSA-N 1 1 335.448 0.475 20 30 ECEDMO C[C@H]1CC[C@H](C[N@@H+]2CCNC(=O)CCN(C(=O)C#CC3CC3)CC2)O1 ZINC001070962653 784241355 /nfs/dbraw/zinc/24/13/55/784241355.db2.gz YTZXCZLMCSCRBS-DOTOQJQBSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@H]1CC[C@H](C[N@H+]2CCNC(=O)CCN(C(=O)C#CC3CC3)CC2)O1 ZINC001070962653 784241362 /nfs/dbraw/zinc/24/13/62/784241362.db2.gz YTZXCZLMCSCRBS-DOTOQJQBSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001070969338 784264213 /nfs/dbraw/zinc/26/42/13/784264213.db2.gz MEOUDCFUHRQDIF-UHFFFAOYSA-N 1 1 347.463 0.959 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001070969338 784264221 /nfs/dbraw/zinc/26/42/21/784264221.db2.gz MEOUDCFUHRQDIF-UHFFFAOYSA-N 1 1 347.463 0.959 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001070969338 784264227 /nfs/dbraw/zinc/26/42/27/784264227.db2.gz MEOUDCFUHRQDIF-UHFFFAOYSA-N 1 1 347.463 0.959 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001070970488 784269388 /nfs/dbraw/zinc/26/93/88/784269388.db2.gz HVUXNPHJVWHILR-UHFFFAOYSA-N 1 1 334.464 0.145 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC001070975583 784289450 /nfs/dbraw/zinc/28/94/50/784289450.db2.gz SYWOIPPOUXAHSR-UHFFFAOYSA-N 1 1 348.422 0.990 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC001070975719 784289804 /nfs/dbraw/zinc/28/98/04/784289804.db2.gz YCCLLAMSKNQOAU-UHFFFAOYSA-N 1 1 348.422 0.990 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC001070975719 784289808 /nfs/dbraw/zinc/28/98/08/784289808.db2.gz YCCLLAMSKNQOAU-UHFFFAOYSA-N 1 1 348.422 0.990 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001070985005 784323427 /nfs/dbraw/zinc/32/34/27/784323427.db2.gz DNJIOCSTLKYZQJ-UHFFFAOYSA-N 1 1 325.453 0.622 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001070985005 784323434 /nfs/dbraw/zinc/32/34/34/784323434.db2.gz DNJIOCSTLKYZQJ-UHFFFAOYSA-N 1 1 325.453 0.622 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001070999990 784368467 /nfs/dbraw/zinc/36/84/67/784368467.db2.gz JCCCFOHHIUIDLR-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 ZINC001071001406 784374939 /nfs/dbraw/zinc/37/49/39/784374939.db2.gz WNHZCJMWMAGXSO-CVEARBPZSA-N 1 1 335.448 0.804 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001071004747 784382860 /nfs/dbraw/zinc/38/28/60/784382860.db2.gz QKOBWTGETPDYJN-UHFFFAOYSA-N 1 1 346.435 0.181 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C2=COCCO2)n1 ZINC001070594623 784402834 /nfs/dbraw/zinc/40/28/34/784402834.db2.gz HGQYTSKOXVWPKN-KBPBESRZSA-N 1 1 348.403 0.985 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ccnn2C)n1 ZINC001070595773 784405531 /nfs/dbraw/zinc/40/55/31/784405531.db2.gz MNTMYLHIINBJRF-KBPBESRZSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCCOC2)CC1 ZINC001071011428 784405783 /nfs/dbraw/zinc/40/57/83/784405783.db2.gz FCYSQWXGBLYNBM-QGZVFWFLSA-N 1 1 349.475 0.867 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCCOC2)CC1 ZINC001071011428 784405788 /nfs/dbraw/zinc/40/57/88/784405788.db2.gz FCYSQWXGBLYNBM-QGZVFWFLSA-N 1 1 349.475 0.867 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cnccn2)CC1 ZINC001071012819 784410527 /nfs/dbraw/zinc/41/05/27/784410527.db2.gz HONLSMJAHIRSPM-UHFFFAOYSA-N 1 1 345.447 0.636 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCc2cnccn2)CC1 ZINC001071012819 784410531 /nfs/dbraw/zinc/41/05/31/784410531.db2.gz HONLSMJAHIRSPM-UHFFFAOYSA-N 1 1 345.447 0.636 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001070598812 784410850 /nfs/dbraw/zinc/41/08/50/784410850.db2.gz SPQCYAQFEWBQMP-CQSZACIVSA-N 1 1 331.420 0.947 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2ccnc2)n1 ZINC001070600375 784415835 /nfs/dbraw/zinc/41/58/35/784415835.db2.gz SRAWYMZUZVNCHQ-GJZGRUSLSA-N 1 1 344.419 0.994 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CCC)CC2)nc1 ZINC001071015510 784420796 /nfs/dbraw/zinc/42/07/96/784420796.db2.gz HWOBRYLVAYPJED-UHFFFAOYSA-N 1 1 328.416 0.737 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CCC)CC2)nc1 ZINC001071015510 784420804 /nfs/dbraw/zinc/42/08/04/784420804.db2.gz HWOBRYLVAYPJED-UHFFFAOYSA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2n[nH]nc2C)n1 ZINC001070604514 784424690 /nfs/dbraw/zinc/42/46/90/784424690.db2.gz KFCJXOLWBKPTHE-QWHCGFSZSA-N 1 1 343.391 0.284 20 30 ECEDMO CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[N@@H+](C)C3)n2)N(CC#N)C1 ZINC001070605974 784428268 /nfs/dbraw/zinc/42/82/68/784428268.db2.gz FEFIHMRXIQTAPD-QLFBSQMISA-N 1 1 346.435 0.386 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](OC)C2CCCC2)CC1 ZINC001071018489 784432501 /nfs/dbraw/zinc/43/25/01/784432501.db2.gz VGABEUCMBFJMRG-SFHVURJKSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](OC)C2CCCC2)CC1 ZINC001071018489 784432507 /nfs/dbraw/zinc/43/25/07/784432507.db2.gz VGABEUCMBFJMRG-SFHVURJKSA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001071022856 784447170 /nfs/dbraw/zinc/44/71/70/784447170.db2.gz FAYHSQOISPKOFD-KRWDZBQOSA-N 1 1 348.491 0.535 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001071023223 784449031 /nfs/dbraw/zinc/44/90/31/784449031.db2.gz VGDZPRORVPFEGE-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1cncn1C ZINC001070621409 784449546 /nfs/dbraw/zinc/44/95/46/784449546.db2.gz ZYZBOXYWLOJIJN-ZIAGYGMSSA-N 1 1 348.838 0.953 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1cncn1)C[C@@H](C)O2 ZINC001071136688 784581753 /nfs/dbraw/zinc/58/17/53/784581753.db2.gz NSAUYORJCQPIAH-WBVHZDCISA-N 1 1 331.420 0.383 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)C[C@H](C)O2 ZINC001071136685 784582638 /nfs/dbraw/zinc/58/26/38/784582638.db2.gz NSAUYORJCQPIAH-DOTOQJQBSA-N 1 1 331.420 0.383 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@@H](C)O2 ZINC001071159216 784625578 /nfs/dbraw/zinc/62/55/78/784625578.db2.gz IZUHCXILGZRXEY-RDTXWAMCSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@@H](C)O2 ZINC001071162578 784634431 /nfs/dbraw/zinc/63/44/31/784634431.db2.gz VSXUBCOPXZGIFQ-CXAGYDPISA-N 1 1 333.436 0.884 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc3nc[nH]c31)C[C@@H](C)O2 ZINC001071170960 784651337 /nfs/dbraw/zinc/65/13/37/784651337.db2.gz FMKVBFJLLNGYHS-ACJLOTCBSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc3[nH]cnc31)C[C@@H](C)O2 ZINC001071173235 784658127 /nfs/dbraw/zinc/65/81/27/784658127.db2.gz FVDIOVBAHQVTLB-ACJLOTCBSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc3[nH]cnc31)C[C@@H](C)O2 ZINC001071173235 784658133 /nfs/dbraw/zinc/65/81/33/784658133.db2.gz FVDIOVBAHQVTLB-ACJLOTCBSA-N 1 1 339.399 0.897 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn[nH]c(=O)c1)C[C@H](C)O2 ZINC001071177928 784670284 /nfs/dbraw/zinc/67/02/84/784670284.db2.gz IANPROIADWMWLP-GUYCJALGSA-N 1 1 330.388 0.511 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(C)nc1C)C[C@@H](C)O2 ZINC001071178449 784673079 /nfs/dbraw/zinc/67/30/79/784673079.db2.gz PNWPVGZTIBPHIZ-RDTXWAMCSA-N 1 1 330.432 0.596 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C[C@@H](C)O2 ZINC001071178991 784674126 /nfs/dbraw/zinc/67/41/26/784674126.db2.gz YYANXFVVMIUOCX-DYVFJYSZSA-N 1 1 332.404 0.272 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(CN(C)C)on1)C[C@@H](C)O2 ZINC001071183265 784682247 /nfs/dbraw/zinc/68/22/47/784682247.db2.gz LSVGVLHRHARACM-KDOFPFPSSA-N 1 1 346.431 0.675 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(CN(C)C)on1)C[C@@H](C)O2 ZINC001071183265 784682252 /nfs/dbraw/zinc/68/22/52/784682252.db2.gz LSVGVLHRHARACM-KDOFPFPSSA-N 1 1 346.431 0.675 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCNC1=O)C[C@@H](C)O2 ZINC001071185115 784686796 /nfs/dbraw/zinc/68/67/96/784686796.db2.gz AVWYMTFCMLCPGB-CRAIPNDOSA-N 1 1 348.447 0.117 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(=O)Nc1ccccc1)C[C@H](C)O2 ZINC001071186157 784690250 /nfs/dbraw/zinc/69/02/50/784690250.db2.gz RFDJFIFIFOHJAG-HNAYVOBHSA-N 1 1 341.411 0.950 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@H](C)O2 ZINC001071190340 784698038 /nfs/dbraw/zinc/69/80/38/784698038.db2.gz XSGTUBLRHPXRKC-SJCJKPOMSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@H](C)O2 ZINC001071190340 784698042 /nfs/dbraw/zinc/69/80/42/784698042.db2.gz XSGTUBLRHPXRKC-SJCJKPOMSA-N 1 1 331.372 0.317 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccnc1)C[C@@H](C)O2 ZINC001071195145 784712632 /nfs/dbraw/zinc/71/26/32/784712632.db2.gz SIZBPUNBGJQWMH-AEFFLSMTSA-N 1 1 330.432 0.988 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@@H](C)O2 ZINC001071204382 784729421 /nfs/dbraw/zinc/72/94/21/784729421.db2.gz OFRUTUCUQIJGKH-CRAIPNDOSA-N 1 1 346.431 0.514 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@@H](C)O2 ZINC001071203990 784729495 /nfs/dbraw/zinc/72/94/95/784729495.db2.gz LDMSPQWVQRJPHG-PBHICJAKSA-N 1 1 334.420 0.677 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@H+](CCF)C3)C2)nn1 ZINC001071215844 784756266 /nfs/dbraw/zinc/75/62/66/784756266.db2.gz HQYFGIFTWMUPJZ-CZUORRHYSA-N 1 1 337.399 0.739 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CCF)C3)C2)nn1 ZINC001071215844 784756270 /nfs/dbraw/zinc/75/62/70/784756270.db2.gz HQYFGIFTWMUPJZ-CZUORRHYSA-N 1 1 337.399 0.739 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nn(C)c1OC)C[C@@H](C)O2 ZINC001071216402 784757776 /nfs/dbraw/zinc/75/77/76/784757776.db2.gz PVBXWLQOFLYYEH-ACJLOTCBSA-N 1 1 346.431 0.676 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nn(C)c1OC)C[C@@H](C)O2 ZINC001071216402 784757784 /nfs/dbraw/zinc/75/77/84/784757784.db2.gz PVBXWLQOFLYYEH-ACJLOTCBSA-N 1 1 346.431 0.676 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@@H](C)O2 ZINC001071219061 784764114 /nfs/dbraw/zinc/76/41/14/784764114.db2.gz SGTNASMGNJAMHT-CXAGYDPISA-N 1 1 332.404 0.977 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001070863311 784764343 /nfs/dbraw/zinc/76/43/43/784764343.db2.gz SIUCBYCCQNHIPK-CQSZACIVSA-N 1 1 331.420 0.947 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)nn1)C[C@H](C)O2 ZINC001071230937 784793497 /nfs/dbraw/zinc/79/34/97/784793497.db2.gz LNNNDDLOYFEFHR-KBXCAEBGSA-N 1 1 343.431 0.481 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)nn1)C[C@H](C)O2 ZINC001071230937 784793506 /nfs/dbraw/zinc/79/35/06/784793506.db2.gz LNNNDDLOYFEFHR-KBXCAEBGSA-N 1 1 343.431 0.481 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CCCO)C3)C2)cn1 ZINC001071230921 784793913 /nfs/dbraw/zinc/79/39/13/784793913.db2.gz LHPIFECWBXQPCW-BEFAXECRSA-N 1 1 343.427 0.751 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CCC1=O)C[C@@H](C)O2 ZINC001071238011 784806554 /nfs/dbraw/zinc/80/65/54/784806554.db2.gz HESPUQVXELDYRD-RDTXWAMCSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@@H](C)O2 ZINC001071241708 784818091 /nfs/dbraw/zinc/81/80/91/784818091.db2.gz ZJNXKVYZTGLMAQ-VQIMIIECSA-N 1 1 343.427 0.563 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(C(N)=O)c1)C[C@H](C)O2 ZINC001071244556 784823826 /nfs/dbraw/zinc/82/38/26/784823826.db2.gz WTSCUOMMFZSMOF-SCLBCKFNSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cnsn3)C2)C(=O)C1 ZINC001071255275 784850707 /nfs/dbraw/zinc/85/07/07/784850707.db2.gz JTPDBWMVMDTZCK-CYBMUJFWSA-N 1 1 349.460 0.863 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cnsn3)C2)C(=O)C1 ZINC001071255275 784850714 /nfs/dbraw/zinc/85/07/14/784850714.db2.gz JTPDBWMVMDTZCK-CYBMUJFWSA-N 1 1 349.460 0.863 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001071320418 784949466 /nfs/dbraw/zinc/94/94/66/784949466.db2.gz JFGICFAPSQDXCM-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001071348642 784990088 /nfs/dbraw/zinc/99/00/88/784990088.db2.gz MGWHMKAJFWLORM-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CCn1cncn1 ZINC001071414467 785061441 /nfs/dbraw/zinc/06/14/41/785061441.db2.gz TYLIGXHNWRTOMT-OCCSQVGLSA-N 1 1 327.392 0.761 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@@H]1C ZINC001071814557 785146810 /nfs/dbraw/zinc/14/68/10/785146810.db2.gz JUHLBYOKRZXWOR-QWRGUYRKSA-N 1 1 341.437 0.216 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC[C@@H]1C ZINC001071836044 785191531 /nfs/dbraw/zinc/19/15/31/785191531.db2.gz SFDLJCXALDUNBG-KBPBESRZSA-N 1 1 330.432 0.957 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C ZINC001071860451 785232916 /nfs/dbraw/zinc/23/29/16/785232916.db2.gz IYSUBMLOKQHSDX-CHWSQXEVSA-N 1 1 334.420 0.243 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C ZINC001071550080 785287196 /nfs/dbraw/zinc/28/71/96/785287196.db2.gz XPMYZWLHTCWKDI-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC[C@@H]1C ZINC001071610286 785392477 /nfs/dbraw/zinc/39/24/77/785392477.db2.gz RPWHDHZBHBCABV-ZFWWWQNUSA-N 1 1 328.416 0.715 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@H]1C ZINC001071621926 785406866 /nfs/dbraw/zinc/40/68/66/785406866.db2.gz DPBNPJUZRRJIIB-ZYHUDNBSSA-N 1 1 327.406 0.696 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1C ZINC001071967068 785434427 /nfs/dbraw/zinc/43/44/27/785434427.db2.gz JRFQJZPTBYRQSA-CHWSQXEVSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@H]1C ZINC001071644630 785439554 /nfs/dbraw/zinc/43/95/54/785439554.db2.gz ATHUEYSKFVUXIU-VXGBXAGGSA-N 1 1 339.417 0.533 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C ZINC001071987460 785482043 /nfs/dbraw/zinc/48/20/43/785482043.db2.gz DAQARGNYOXYUEB-NWDGAFQWSA-N 1 1 330.392 0.576 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)CC[C@@H]1C ZINC001072030456 785552712 /nfs/dbraw/zinc/55/27/12/785552712.db2.gz PTDOXIYMDINZSX-NWDGAFQWSA-N 1 1 325.372 0.946 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)CC[C@@H]1C ZINC001072030456 785552720 /nfs/dbraw/zinc/55/27/20/785552720.db2.gz PTDOXIYMDINZSX-NWDGAFQWSA-N 1 1 325.372 0.946 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@@H]1C ZINC001071724335 785592653 /nfs/dbraw/zinc/59/26/53/785592653.db2.gz FVIZABKAXQJKBG-CMPLNLGQSA-N 1 1 330.396 0.463 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@H]1C ZINC001071725022 785594166 /nfs/dbraw/zinc/59/41/66/785594166.db2.gz PBWOQBWIWOAAFD-YPMHNXCESA-N 1 1 344.423 0.853 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001072098426 785666990 /nfs/dbraw/zinc/66/69/90/785666990.db2.gz YVYYKYRHUNHOQK-UKRRQHHQSA-N 1 1 332.404 0.195 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(Cc2cn(C)c(=O)n(C)c2=O)C(C)=O)C1 ZINC001072134704 785723383 /nfs/dbraw/zinc/72/33/83/785723383.db2.gz XZCGXVBHEHONOO-MRXNPFEDSA-N 1 1 348.447 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)nc1 ZINC001072285855 785976604 /nfs/dbraw/zinc/97/66/04/785976604.db2.gz BOBUZVFOMORZRM-WMLDXEAASA-N 1 1 342.443 0.980 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001072287111 785982248 /nfs/dbraw/zinc/98/22/48/785982248.db2.gz RXDLVSVXVGLZIV-HUUCEWRRSA-N 1 1 325.453 0.882 20 30 ECEDMO O=C(Cn1cnnn1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001072451262 786202307 /nfs/dbraw/zinc/20/23/07/786202307.db2.gz JRMVOSTYBOZVRL-UHFFFAOYSA-N 1 1 336.399 0.259 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1C[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001072476987 786240777 /nfs/dbraw/zinc/24/07/77/786240777.db2.gz XRBBXXJBBFHDHW-KBPBESRZSA-N 1 1 340.493 0.938 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001072479218 786247161 /nfs/dbraw/zinc/24/71/61/786247161.db2.gz ULKPPARETVURFQ-IUODEOHRSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3ccc[nH]3)C2)C1=O ZINC001073534016 786498991 /nfs/dbraw/zinc/49/89/91/786498991.db2.gz RVUWABGEELTXGB-GOEBONIOSA-N 1 1 346.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)c3ccc[nH]3)C2)C1=O ZINC001073534016 786498995 /nfs/dbraw/zinc/49/89/95/786498995.db2.gz RVUWABGEELTXGB-GOEBONIOSA-N 1 1 346.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001073543535 786530668 /nfs/dbraw/zinc/53/06/68/786530668.db2.gz IIUXAVNCPBCWRR-ZFWWWQNUSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001073543535 786530674 /nfs/dbraw/zinc/53/06/74/786530674.db2.gz IIUXAVNCPBCWRR-ZFWWWQNUSA-N 1 1 347.419 0.017 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001073549583 786554986 /nfs/dbraw/zinc/55/49/86/786554986.db2.gz OVYCOWSZLHNQCW-MRXNPFEDSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CCO[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001074281960 786582261 /nfs/dbraw/zinc/58/22/61/786582261.db2.gz KPLJEXPBXJTNSM-HZPDHXFCSA-N 1 1 334.420 0.838 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 ZINC001074283453 786587211 /nfs/dbraw/zinc/58/72/11/786587211.db2.gz DQZUMJFQODMQDN-CABCVRRESA-N 1 1 336.436 0.280 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 ZINC001074283453 786587219 /nfs/dbraw/zinc/58/72/19/786587219.db2.gz DQZUMJFQODMQDN-CABCVRRESA-N 1 1 336.436 0.280 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 ZINC001074285255 786594199 /nfs/dbraw/zinc/59/41/99/786594199.db2.gz XYLUXIZBQNQHPJ-CVEARBPZSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 ZINC001074285255 786594204 /nfs/dbraw/zinc/59/42/04/786594204.db2.gz XYLUXIZBQNQHPJ-CVEARBPZSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@@H]21 ZINC001074294793 786617161 /nfs/dbraw/zinc/61/71/61/786617161.db2.gz SUNMOTIUQGRMQD-GJZGRUSLSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@@H]21 ZINC001074294793 786617168 /nfs/dbraw/zinc/61/71/68/786617168.db2.gz SUNMOTIUQGRMQD-GJZGRUSLSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001073579498 786670574 /nfs/dbraw/zinc/67/05/74/786670574.db2.gz RXAFAABJBOUFEB-UHFFFAOYSA-N 1 1 336.480 0.648 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOC)[C@@H]3C2)c1 ZINC001074336276 786700191 /nfs/dbraw/zinc/70/01/91/786700191.db2.gz MSRCBNWIPSPYPJ-SJORKVTESA-N 1 1 329.400 0.625 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]3OCC[N@H+](CCOC)[C@@H]3C2)c1 ZINC001074336276 786700198 /nfs/dbraw/zinc/70/01/98/786700198.db2.gz MSRCBNWIPSPYPJ-SJORKVTESA-N 1 1 329.400 0.625 20 30 ECEDMO C=CCCCC(=O)N1CCN(C2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001073596525 786731885 /nfs/dbraw/zinc/73/18/85/786731885.db2.gz XTMMQEFTOKEYIL-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001073601300 786747619 /nfs/dbraw/zinc/74/76/19/786747619.db2.gz AJFAEUUCPVEABE-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@@H]21 ZINC001074377457 786798873 /nfs/dbraw/zinc/79/88/73/786798873.db2.gz LHQGVARPIUDEID-GJZGRUSLSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@@H]21 ZINC001074377457 786798879 /nfs/dbraw/zinc/79/88/79/786798879.db2.gz LHQGVARPIUDEID-GJZGRUSLSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 ZINC001073631544 786820143 /nfs/dbraw/zinc/82/01/43/786820143.db2.gz QUKVCPXFBBTODJ-OAHLLOKOSA-N 1 1 346.431 0.818 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001073634204 786827120 /nfs/dbraw/zinc/82/71/20/786827120.db2.gz OIGZUTZCPUSEHO-HOTGVXAUSA-N 1 1 330.432 0.991 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001073642837 786853674 /nfs/dbraw/zinc/85/36/74/786853674.db2.gz VXXKGHXOKYGXEN-AWEZNQCLSA-N 1 1 334.420 0.567 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc3ncn(C)c32)C1 ZINC001073642940 786853904 /nfs/dbraw/zinc/85/39/04/786853904.db2.gz ZABPDPSXNWXIQI-ZDUSSCGKSA-N 1 1 329.404 0.975 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001073649371 786872523 /nfs/dbraw/zinc/87/25/23/786872523.db2.gz UAGUVPYJXUQKTQ-GFCCVEGCSA-N 1 1 344.337 0.899 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001073649371 786872533 /nfs/dbraw/zinc/87/25/33/786872533.db2.gz UAGUVPYJXUQKTQ-GFCCVEGCSA-N 1 1 344.337 0.899 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@H]21 ZINC001074410158 786894721 /nfs/dbraw/zinc/89/47/21/786894721.db2.gz MZKQVZFWOCZJAI-CABCVRRESA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@H]21 ZINC001074410158 786894730 /nfs/dbraw/zinc/89/47/30/786894730.db2.gz MZKQVZFWOCZJAI-CABCVRRESA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001073667296 786917400 /nfs/dbraw/zinc/91/74/00/786917400.db2.gz BQLCTBPVMYRWOR-UONOGXRCSA-N 1 1 349.435 0.329 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2COC)C1 ZINC001073667674 786918408 /nfs/dbraw/zinc/91/84/08/786918408.db2.gz LRYSCEFBTRNSGZ-AWEZNQCLSA-N 1 1 336.436 0.963 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001074419000 786925052 /nfs/dbraw/zinc/92/50/52/786925052.db2.gz CWWAMUOKNDDCMT-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001074419000 786925056 /nfs/dbraw/zinc/92/50/56/786925056.db2.gz CWWAMUOKNDDCMT-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001073687512 786972429 /nfs/dbraw/zinc/97/24/29/786972429.db2.gz UAIRMXRELIPULY-GJZGRUSLSA-N 1 1 338.452 0.560 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001073697231 786992860 /nfs/dbraw/zinc/99/28/60/786992860.db2.gz CBGPINABQNDEKZ-ZDUSSCGKSA-N 1 1 333.388 0.228 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001073723357 787062778 /nfs/dbraw/zinc/06/27/78/787062778.db2.gz HQDFHDAEMUDQKG-OAHLLOKOSA-N 1 1 346.431 0.241 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001073723373 787063350 /nfs/dbraw/zinc/06/33/50/787063350.db2.gz IAPZAJKKEREWLF-CQSZACIVSA-N 1 1 334.420 0.404 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001073746012 787111365 /nfs/dbraw/zinc/11/13/65/787111365.db2.gz MQNUBJSJZYGAFP-DOTOQJQBSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001073746012 787111372 /nfs/dbraw/zinc/11/13/72/787111372.db2.gz MQNUBJSJZYGAFP-DOTOQJQBSA-N 1 1 330.432 0.594 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+]([C@H](CC)C(N)=O)CCCO2)c1 ZINC001073763006 787152367 /nfs/dbraw/zinc/15/23/67/787152367.db2.gz SQHMZTNWZBUWDF-HZPDHXFCSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)CCCO2)c1 ZINC001073763006 787152370 /nfs/dbraw/zinc/15/23/70/787152370.db2.gz SQHMZTNWZBUWDF-HZPDHXFCSA-N 1 1 344.415 0.148 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001074520575 787161417 /nfs/dbraw/zinc/16/14/17/787161417.db2.gz YRPMZRMQRMOUHA-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2cnn(C)c2)CCCO1 ZINC001073774754 787180387 /nfs/dbraw/zinc/18/03/87/787180387.db2.gz KCTWSNYVSNDFRE-BBWFWOEESA-N 1 1 348.447 0.718 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2cnn(C)c2)CCCO1 ZINC001073774754 787180392 /nfs/dbraw/zinc/18/03/92/787180392.db2.gz KCTWSNYVSNDFRE-BBWFWOEESA-N 1 1 348.447 0.718 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073796100 787218006 /nfs/dbraw/zinc/21/80/06/787218006.db2.gz KCOHHKWNZAFFLE-GJZGRUSLSA-N 1 1 342.461 0.042 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073796100 787218008 /nfs/dbraw/zinc/21/80/08/787218008.db2.gz KCOHHKWNZAFFLE-GJZGRUSLSA-N 1 1 342.461 0.042 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073810625 787241977 /nfs/dbraw/zinc/24/19/77/787241977.db2.gz YIUVBTVMYVCZMA-PMPSAXMXSA-N 1 1 326.437 0.557 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001073816749 787253774 /nfs/dbraw/zinc/25/37/74/787253774.db2.gz FOGMMKIKQTUJJK-DZGCQCFKSA-N 1 1 334.420 0.747 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CC(F)F)[C@@H]1C ZINC001074570110 787286750 /nfs/dbraw/zinc/28/67/50/787286750.db2.gz NUWGLMXVMXDKGP-VWYCJHECSA-N 1 1 326.351 0.782 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2c3c(nn2C)CCC3)C1 ZINC001073853616 787365101 /nfs/dbraw/zinc/36/51/01/787365101.db2.gz KAWPZXPFTNTNSQ-CQSZACIVSA-N 1 1 330.432 0.753 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001073853633 787365721 /nfs/dbraw/zinc/36/57/21/787365721.db2.gz KPAQODZFQKTBQA-AWEZNQCLSA-N 1 1 345.399 0.314 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001073853633 787365730 /nfs/dbraw/zinc/36/57/30/787365730.db2.gz KPAQODZFQKTBQA-AWEZNQCLSA-N 1 1 345.399 0.314 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001073859747 787381426 /nfs/dbraw/zinc/38/14/26/787381426.db2.gz RWTJPIYRUNGXCB-KGLIPLIRSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001073859747 787381436 /nfs/dbraw/zinc/38/14/36/787381436.db2.gz RWTJPIYRUNGXCB-KGLIPLIRSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001073859747 787381447 /nfs/dbraw/zinc/38/14/47/787381447.db2.gz RWTJPIYRUNGXCB-KGLIPLIRSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001073859747 787381455 /nfs/dbraw/zinc/38/14/55/787381455.db2.gz RWTJPIYRUNGXCB-KGLIPLIRSA-N 1 1 333.436 0.693 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001073859747 787381466 /nfs/dbraw/zinc/38/14/66/787381466.db2.gz RWTJPIYRUNGXCB-KGLIPLIRSA-N 1 1 333.436 0.693 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C)c1nnnn1C ZINC001074613632 787395318 /nfs/dbraw/zinc/39/53/18/787395318.db2.gz AVVSNIYZFUAILB-NRUUGDAUSA-N 1 1 328.380 0.364 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@@H](C)C(=O)NC)CCCO2)nc1 ZINC001073865573 787400067 /nfs/dbraw/zinc/40/00/67/787400067.db2.gz JWKAVNDKAMUBEE-ZFWWWQNUSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)CCCO2)nc1 ZINC001073865573 787400070 /nfs/dbraw/zinc/40/00/70/787400070.db2.gz JWKAVNDKAMUBEE-ZFWWWQNUSA-N 1 1 344.415 0.018 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001073873465 787414869 /nfs/dbraw/zinc/41/48/69/787414869.db2.gz BLZMOJKBJTXPSZ-ZDUSSCGKSA-N 1 1 332.404 0.448 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001073895785 787463573 /nfs/dbraw/zinc/46/35/73/787463573.db2.gz BGXMPLJPUVNXII-GOEBONIOSA-N 1 1 330.432 0.745 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001073896239 787464923 /nfs/dbraw/zinc/46/49/23/787464923.db2.gz NTTVGEYFOSTCCA-LSDHHAIUSA-N 1 1 344.477 0.737 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001073899482 787473961 /nfs/dbraw/zinc/47/39/61/787473961.db2.gz VHRJOWPBFWJNTA-CABCVRRESA-N 1 1 333.436 0.542 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001073902256 787484050 /nfs/dbraw/zinc/48/40/50/787484050.db2.gz ZMQRRSFWTMKJOU-UONOGXRCSA-N 1 1 347.381 0.853 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001073902256 787484059 /nfs/dbraw/zinc/48/40/59/787484059.db2.gz ZMQRRSFWTMKJOU-UONOGXRCSA-N 1 1 347.381 0.853 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001074707111 787649416 /nfs/dbraw/zinc/64/94/16/787649416.db2.gz UKNZLIDLIHPLHJ-KGLIPLIRSA-N 1 1 336.436 0.100 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001074062442 787794342 /nfs/dbraw/zinc/79/43/42/787794342.db2.gz GGIZNKXXNXOCMI-UKRRQHHQSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCCCN2C(=O)c2cnon2)C1=O ZINC001074081782 787831957 /nfs/dbraw/zinc/83/19/57/787831957.db2.gz MFBGGQSWNAJVCS-HIFRSBDPSA-N 1 1 347.419 0.783 20 30 ECEDMO C=CCC[N@@H+]1CCn2c(nnc2C2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001074108402 787894030 /nfs/dbraw/zinc/89/40/30/787894030.db2.gz MGPIXRMQHIBSLW-UHFFFAOYSA-N 1 1 346.435 0.251 20 30 ECEDMO C=CCC[N@H+]1CCn2c(nnc2C2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001074108402 787894040 /nfs/dbraw/zinc/89/40/40/787894040.db2.gz MGPIXRMQHIBSLW-UHFFFAOYSA-N 1 1 346.435 0.251 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2c(nnc2C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001074109753 787898099 /nfs/dbraw/zinc/89/80/99/787898099.db2.gz LBFAHPCCUCFEHB-UHFFFAOYSA-N 1 1 346.435 0.251 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2c(nnc2C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001074109753 787898107 /nfs/dbraw/zinc/89/81/07/787898107.db2.gz LBFAHPCCUCFEHB-UHFFFAOYSA-N 1 1 346.435 0.251 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)C1=O ZINC001072644598 788493258 /nfs/dbraw/zinc/49/32/58/788493258.db2.gz KWHAIHQAWCYBOW-CQSZACIVSA-N 1 1 327.388 0.265 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C2)c1 ZINC001072707509 788626339 /nfs/dbraw/zinc/62/63/39/788626339.db2.gz XJZRTGOVCAYTKU-RHSMWYFYSA-N 1 1 342.443 0.981 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)c3cn(CCOC)nn3)C2)C1 ZINC001072712257 788636671 /nfs/dbraw/zinc/63/66/71/788636671.db2.gz LOEFRKVEESJNHD-UHFFFAOYSA-N 1 1 339.827 0.825 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)c3cn(CCOC)nn3)C2)C1 ZINC001072712257 788636675 /nfs/dbraw/zinc/63/66/75/788636675.db2.gz LOEFRKVEESJNHD-UHFFFAOYSA-N 1 1 339.827 0.825 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001072712412 788637252 /nfs/dbraw/zinc/63/72/52/788637252.db2.gz NOOOOTQCWDTETP-UHFFFAOYSA-N 1 1 329.400 0.083 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](CC)C(N)=O)C2 ZINC001072748063 788707473 /nfs/dbraw/zinc/70/74/73/788707473.db2.gz VCGTYKWDPOEWBX-KFWWJZLASA-N 1 1 335.448 0.766 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001072797266 788818522 /nfs/dbraw/zinc/81/85/22/788818522.db2.gz QXUAGZCIHDYYQW-HNNXBMFYSA-N 1 1 335.448 0.592 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)[C@H](C)C1 ZINC001075069618 788846513 /nfs/dbraw/zinc/84/65/13/788846513.db2.gz MPNCSAHMCPUTBU-TZMCWYRMSA-N 1 1 349.460 0.944 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C2)C1 ZINC001072808460 788846870 /nfs/dbraw/zinc/84/68/70/788846870.db2.gz BSKVNGNNTYQGOL-UHFFFAOYSA-N 1 1 339.399 0.845 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001075070086 788848070 /nfs/dbraw/zinc/84/80/70/788848070.db2.gz SLQJOZNABRUBMA-ZFWWWQNUSA-N 1 1 334.420 0.890 20 30 ECEDMO C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3ccn[nH]3)CC2)C1 ZINC001075387676 789314832 /nfs/dbraw/zinc/31/48/32/789314832.db2.gz BGHDXKZLPSHCTO-RDJZCZTQSA-N 1 1 330.432 0.961 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001073038243 789320839 /nfs/dbraw/zinc/32/08/39/789320839.db2.gz AECDKLBBEAYGMJ-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](CC)C(N)=O)C3)nn1 ZINC001073047306 789342905 /nfs/dbraw/zinc/34/29/05/789342905.db2.gz CVSBMSQSUYWOTF-AWEZNQCLSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001073073859 789392985 /nfs/dbraw/zinc/39/29/85/789392985.db2.gz RGXAAUJJMIZYHP-UHFFFAOYSA-N 1 1 330.388 0.296 20 30 ECEDMO C=CC[N@H+]1CCC2(CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)C1 ZINC001073089033 789424877 /nfs/dbraw/zinc/42/48/77/789424877.db2.gz DSXRUJHWDIVBDJ-CQSZACIVSA-N 1 1 331.420 0.649 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3C2)s1 ZINC001075531741 789462844 /nfs/dbraw/zinc/46/28/44/789462844.db2.gz ZSRAILLJXOSKIA-SMDDNHRTSA-N 1 1 343.416 0.339 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3C2)s1 ZINC001075531741 789462850 /nfs/dbraw/zinc/46/28/50/789462850.db2.gz ZSRAILLJXOSKIA-SMDDNHRTSA-N 1 1 343.416 0.339 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cc(Cn4cccn4)on3)C2)C1 ZINC001073116330 789469410 /nfs/dbraw/zinc/46/94/10/789469410.db2.gz LHPQPPIUMNLVFF-UHFFFAOYSA-N 1 1 325.372 0.701 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]23CCC[C@H]2N(c2cncc(C#N)n2)CC3)C1 ZINC001069265559 789716944 /nfs/dbraw/zinc/71/69/44/789716944.db2.gz CIOXWKNLRJRZHA-JCKWVBRZSA-N 1 1 340.431 0.918 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001073346822 789748760 /nfs/dbraw/zinc/74/87/60/789748760.db2.gz DKJWOQKKHZGXTN-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001069384658 789790394 /nfs/dbraw/zinc/79/03/94/789790394.db2.gz CFDBCTYULLIUJW-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)NC1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001069385196 789791877 /nfs/dbraw/zinc/79/18/77/789791877.db2.gz RNIKZQCWSOUPOL-INIZCTEOSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)C1 ZINC001073425522 789821341 /nfs/dbraw/zinc/82/13/41/789821341.db2.gz ZRCBLISDMNCGNC-UHFFFAOYSA-N 1 1 328.416 0.899 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[N@@H+](C[C@H](C)OC)C3)CC1 ZINC001073455158 789863007 /nfs/dbraw/zinc/86/30/07/789863007.db2.gz ABBRVHHXNAHJNE-INIZCTEOSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[N@H+](C[C@H](C)OC)C3)CC1 ZINC001073455158 789863014 /nfs/dbraw/zinc/86/30/14/789863014.db2.gz ABBRVHHXNAHJNE-INIZCTEOSA-N 1 1 333.476 0.901 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3ccnc(C#N)n3)C(C)(C)C2)C1 ZINC001069616389 789934328 /nfs/dbraw/zinc/93/43/28/789934328.db2.gz OXSJNGAAOXNLLF-KGLIPLIRSA-N 1 1 342.447 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(Nc2cnc(C#N)cn2)C1 ZINC001069801858 790041862 /nfs/dbraw/zinc/04/18/62/790041862.db2.gz DVXPZGPPLYWDRF-BCLQGDPASA-N 1 1 338.415 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(Nc2cnc(C#N)cn2)C1 ZINC001069801858 790041869 /nfs/dbraw/zinc/04/18/69/790041869.db2.gz DVXPZGPPLYWDRF-BCLQGDPASA-N 1 1 338.415 0.847 20 30 ECEDMO C=CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)c3cnn[nH]3)n2)C1 ZINC001069840334 790074265 /nfs/dbraw/zinc/07/42/65/790074265.db2.gz XVOPLCMKXAKWCF-ZDUSSCGKSA-N 1 1 327.392 0.484 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CCC=C)CC2 ZINC001069863336 790117837 /nfs/dbraw/zinc/11/78/37/790117837.db2.gz KALQNJKZSMHCQD-KRWDZBQOSA-N 1 1 341.459 0.989 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CCC=C)CC2 ZINC001069863336 790117840 /nfs/dbraw/zinc/11/78/40/790117840.db2.gz KALQNJKZSMHCQD-KRWDZBQOSA-N 1 1 341.459 0.989 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCNC3=O)c2C1 ZINC001069863610 790118719 /nfs/dbraw/zinc/11/87/19/790118719.db2.gz AZMOQLWIYCFMNN-OAHLLOKOSA-N 1 1 345.447 0.807 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCNC3=O)c2C1 ZINC001069863610 790118725 /nfs/dbraw/zinc/11/87/25/790118725.db2.gz AZMOQLWIYCFMNN-OAHLLOKOSA-N 1 1 345.447 0.807 20 30 ECEDMO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911696 790180602 /nfs/dbraw/zinc/18/06/02/790180602.db2.gz ITMQWVZTYZMTBX-DFBGVHRSSA-N 1 1 343.391 0.168 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2cncn2)[C@@H](n2ccnn2)C1 ZINC001069911946 790180723 /nfs/dbraw/zinc/18/07/23/790180723.db2.gz FQSYBMYWSRXWFZ-KFWWJZLASA-N 1 1 344.423 0.439 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2csnc2C)[C@@H](n2ccnn2)C1 ZINC001069912264 790181074 /nfs/dbraw/zinc/18/10/74/790181074.db2.gz VBNPGBFSSDVADG-KGLIPLIRSA-N 1 1 330.417 0.722 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2csnc2C)[C@@H](n2ccnn2)C1 ZINC001069912264 790181078 /nfs/dbraw/zinc/18/10/78/790181078.db2.gz VBNPGBFSSDVADG-KGLIPLIRSA-N 1 1 330.417 0.722 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069925863 790197308 /nfs/dbraw/zinc/19/73/08/790197308.db2.gz BQVRHSFUGPSSFA-CABCVRRESA-N 1 1 343.435 0.942 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929519 790202017 /nfs/dbraw/zinc/20/20/17/790202017.db2.gz HSJCGFCOIYBLMJ-GUTXKFCHSA-N 1 1 329.408 0.343 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929519 790202020 /nfs/dbraw/zinc/20/20/20/790202020.db2.gz HSJCGFCOIYBLMJ-GUTXKFCHSA-N 1 1 329.408 0.343 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001069945324 790223364 /nfs/dbraw/zinc/22/33/64/790223364.db2.gz JHSHRVAELWAACQ-KFWWJZLASA-N 1 1 346.435 0.112 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945664 790223923 /nfs/dbraw/zinc/22/39/23/790223923.db2.gz SSFPYUKPVWIJSI-ZACQAIPSSA-N 1 1 344.463 0.516 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccnc3ccnn32)[C@@H](n2ccnn2)C1 ZINC001069945944 790224471 /nfs/dbraw/zinc/22/44/71/790224471.db2.gz FYLTZANKSBPONN-OCCSQVGLSA-N 1 1 338.375 0.162 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccnc3ccnn32)[C@@H](n2ccnn2)C1 ZINC001069945944 790224473 /nfs/dbraw/zinc/22/44/73/790224473.db2.gz FYLTZANKSBPONN-OCCSQVGLSA-N 1 1 338.375 0.162 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c(C)ncn2C)[C@@H](n2ccnn2)C1 ZINC001069951393 790231452 /nfs/dbraw/zinc/23/14/52/790231452.db2.gz LNUKETINQFLFET-KGLIPLIRSA-N 1 1 329.408 0.551 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(C)ncn2C)[C@@H](n2ccnn2)C1 ZINC001069951393 790231455 /nfs/dbraw/zinc/23/14/55/790231455.db2.gz LNUKETINQFLFET-KGLIPLIRSA-N 1 1 329.408 0.551 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2 ZINC001068863152 791294416 /nfs/dbraw/zinc/29/44/16/791294416.db2.gz QDIAKBKIRMUCGY-HOTGVXAUSA-N 1 1 345.443 0.370 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001068873286 791317581 /nfs/dbraw/zinc/31/75/81/791317581.db2.gz BNCCWZGNJPCCJT-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001069000539 791567973 /nfs/dbraw/zinc/56/79/73/791567973.db2.gz GPMDJDCTYGBOHO-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001069007288 791582552 /nfs/dbraw/zinc/58/25/52/791582552.db2.gz DGZZWPCQNXOXKP-UONOGXRCSA-N 1 1 348.447 0.364 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)CO2 ZINC001069041016 791638579 /nfs/dbraw/zinc/63/85/79/791638579.db2.gz SLEGWPVCQQVOBM-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](Nc2cncc(C#N)n2)C[C@@H]1C ZINC001069107912 791708380 /nfs/dbraw/zinc/70/83/80/791708380.db2.gz UDFOBABHPUHKEJ-AAEUAGOBSA-N 1 1 325.376 0.955 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2ncccn2)C1 ZINC001066688945 791995585 /nfs/dbraw/zinc/99/55/85/791995585.db2.gz BGQPNDGIRQXVAE-CABCVRRESA-N 1 1 329.404 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2ncccn2)C1 ZINC001066688945 791995591 /nfs/dbraw/zinc/99/55/91/791995591.db2.gz BGQPNDGIRQXVAE-CABCVRRESA-N 1 1 329.404 0.214 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066736156 792070081 /nfs/dbraw/zinc/07/00/81/792070081.db2.gz GOCZHLKORLCHHW-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066736156 792070090 /nfs/dbraw/zinc/07/00/90/792070090.db2.gz GOCZHLKORLCHHW-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCCO1 ZINC001066755807 792110349 /nfs/dbraw/zinc/11/03/49/792110349.db2.gz ITGCLQORVUZVCY-JKSUJKDBSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCCO1 ZINC001066755807 792110355 /nfs/dbraw/zinc/11/03/55/792110355.db2.gz ITGCLQORVUZVCY-JKSUJKDBSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cncn1C ZINC001067709423 792164946 /nfs/dbraw/zinc/16/49/46/792164946.db2.gz UUGXDYCSEUKDPV-HNNXBMFYSA-N 1 1 345.447 0.438 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cncn1C ZINC001067709423 792164951 /nfs/dbraw/zinc/16/49/51/792164951.db2.gz UUGXDYCSEUKDPV-HNNXBMFYSA-N 1 1 345.447 0.438 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@]1(C)CCOC1 ZINC001067709312 792165053 /nfs/dbraw/zinc/16/50/53/792165053.db2.gz NHSJADUUFVNBNS-LPHOPBHVSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@]1(C)CCOC1 ZINC001067709312 792165058 /nfs/dbraw/zinc/16/50/58/792165058.db2.gz NHSJADUUFVNBNS-LPHOPBHVSA-N 1 1 349.475 0.818 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1cnc(C#N)cn1 ZINC001067742107 792212218 /nfs/dbraw/zinc/21/22/18/792212218.db2.gz HZFJKUPIXMISBR-CABCVRRESA-N 1 1 328.420 0.870 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1CN(C)c1nccnc1C#N ZINC001067762577 792245190 /nfs/dbraw/zinc/24/51/90/792245190.db2.gz DJVZWSAYTKNTNH-CQSZACIVSA-N 1 1 339.403 0.981 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1ccnc(C#N)n1 ZINC001067763209 792245926 /nfs/dbraw/zinc/24/59/26/792245926.db2.gz SLMPKHJLFIWNKI-KBPBESRZSA-N 1 1 328.420 0.727 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)c1cncc(C#N)n1 ZINC001067762841 792246204 /nfs/dbraw/zinc/24/62/04/792246204.db2.gz KBTATXYLXRXKPL-UKRRQHHQSA-N 1 1 328.420 0.727 20 30 ECEDMO Cc1ccc(C#N)c(NCC2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001067838752 792352127 /nfs/dbraw/zinc/35/21/27/792352127.db2.gz XNVWEOLAQIZPDW-AVVWSFFYSA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1ccc(C#N)c(NCC2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001067838752 792352140 /nfs/dbraw/zinc/35/21/40/792352140.db2.gz XNVWEOLAQIZPDW-AVVWSFFYSA-N 1 1 343.431 0.899 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccc(C#N)cn3)C2)C1 ZINC001067852721 792371554 /nfs/dbraw/zinc/37/15/54/792371554.db2.gz NLDUWBQCYDFXOX-GPANFISMSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccc(C#N)cn3)C2)C1 ZINC001067852721 792371567 /nfs/dbraw/zinc/37/15/67/792371567.db2.gz NLDUWBQCYDFXOX-GPANFISMSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccncc3C#N)C2)C1 ZINC001067852736 792372979 /nfs/dbraw/zinc/37/29/79/792372979.db2.gz NTQXWDCLGPJJGM-PGEKIEPBSA-N 1 1 343.431 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccncc3C#N)C2)C1 ZINC001067852736 792372988 /nfs/dbraw/zinc/37/29/88/792372988.db2.gz NTQXWDCLGPJJGM-PGEKIEPBSA-N 1 1 343.431 0.403 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CC(CNc3nccnc3C#N)C2)C1 ZINC001067856976 792381171 /nfs/dbraw/zinc/38/11/71/792381171.db2.gz VIOASEHZSLAGKW-IYXRBSQSSA-N 1 1 328.420 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ccnn1C ZINC001066976458 792498879 /nfs/dbraw/zinc/49/88/79/792498879.db2.gz RDXVBQWSBXELQZ-INIZCTEOSA-N 1 1 345.447 0.438 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ccnn1C ZINC001066976458 792498888 /nfs/dbraw/zinc/49/88/88/792498888.db2.gz RDXVBQWSBXELQZ-INIZCTEOSA-N 1 1 345.447 0.438 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001067001180 792544324 /nfs/dbraw/zinc/54/43/24/792544324.db2.gz PGLDRYUPZOBQFI-OAHLLOKOSA-N 1 1 325.453 0.980 20 30 ECEDMO C#CCCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001067078790 792672204 /nfs/dbraw/zinc/67/22/04/792672204.db2.gz QFIWNSHFNBJDCD-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CCCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001067078790 792672206 /nfs/dbraw/zinc/67/22/06/792672206.db2.gz QFIWNSHFNBJDCD-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3cncc(C#N)n3)CC2(C)C)C1 ZINC001068102688 792675885 /nfs/dbraw/zinc/67/58/85/792675885.db2.gz VWMIWGUOACSYKO-KBPBESRZSA-N 1 1 344.419 0.010 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3cncc(C#N)n3)CC2(C)C)C1 ZINC001068102688 792675892 /nfs/dbraw/zinc/67/58/92/792675892.db2.gz VWMIWGUOACSYKO-KBPBESRZSA-N 1 1 344.419 0.010 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1ccc(C#N)nc1 ZINC001067118689 792717339 /nfs/dbraw/zinc/71/73/39/792717339.db2.gz ONXPKBRRBKEFPC-YOEHRIQHSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001068158664 792759010 /nfs/dbraw/zinc/75/90/10/792759010.db2.gz VVDFMMSJCNCOLQ-XPCVCDNBSA-N 1 1 326.404 0.241 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001068158659 792759252 /nfs/dbraw/zinc/75/92/52/792759252.db2.gz VVDFMMSJCNCOLQ-GUIRCDHDSA-N 1 1 326.404 0.241 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001068175147 792786627 /nfs/dbraw/zinc/78/66/27/792786627.db2.gz KRQOCRDYCNDXSV-QCEMKRCNSA-N 1 1 325.416 0.703 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)C1 ZINC001068176057 792788945 /nfs/dbraw/zinc/78/89/45/792788945.db2.gz ZASAVHUUNXJKFB-CYUUQNCZSA-N 1 1 326.404 0.098 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3cnc(C#N)cn3)CC2)C1 ZINC001067250203 792886252 /nfs/dbraw/zinc/88/62/52/792886252.db2.gz GERCPIMBXJKRRQ-AWEZNQCLSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3cnc(C#N)cn3)CC2)C1 ZINC001067250203 792886265 /nfs/dbraw/zinc/88/62/65/792886265.db2.gz GERCPIMBXJKRRQ-AWEZNQCLSA-N 1 1 344.419 0.472 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001067293222 792946926 /nfs/dbraw/zinc/94/69/26/792946926.db2.gz OVYROAOUPLQMRU-QGZVFWFLSA-N 1 1 336.436 0.826 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001067430097 793145306 /nfs/dbraw/zinc/14/53/06/793145306.db2.gz MDSDBQMVMAZNCE-HOTGVXAUSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001067431668 793149601 /nfs/dbraw/zinc/14/96/01/793149601.db2.gz UIJVLSXWGVJKKF-AWEZNQCLSA-N 1 1 334.420 0.537 20 30 ECEDMO C=CCn1cc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001067457995 793190096 /nfs/dbraw/zinc/19/00/96/793190096.db2.gz AWNCZHUPZQVXEL-CQSZACIVSA-N 1 1 348.451 0.336 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001068395193 793202004 /nfs/dbraw/zinc/20/20/04/793202004.db2.gz SAXAUPDKTSNWDK-MRXNPFEDSA-N 1 1 347.459 0.570 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)CN(C(=O)C#CC(C)C)CCO2 ZINC001068395345 793202981 /nfs/dbraw/zinc/20/29/81/793202981.db2.gz XWADZISXOYOSKK-UHFFFAOYSA-N 1 1 344.415 0.291 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001068395353 793202992 /nfs/dbraw/zinc/20/29/92/793202992.db2.gz YNGGSFXAUWANOK-CVEARBPZSA-N 1 1 347.459 0.283 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001068401276 793224864 /nfs/dbraw/zinc/22/48/64/793224864.db2.gz BNBFMROPDJLFBL-HZPDHXFCSA-N 1 1 347.459 0.426 20 30 ECEDMO C=CCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068450592 793331888 /nfs/dbraw/zinc/33/18/88/793331888.db2.gz UKAPMZUKUZJEDG-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO CN(CC[NH2+]CC#Cc1ccc(F)cc1)C(=O)C1=NC(=O)N(C)C1 ZINC001267424603 837396557 /nfs/dbraw/zinc/39/65/57/837396557.db2.gz WBECJNRZUBLLHQ-UHFFFAOYSA-N 1 1 330.363 0.978 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1nnnn1CCC ZINC001267442456 837424288 /nfs/dbraw/zinc/42/42/88/837424288.db2.gz ZTQFFPDCQDGFKX-ZFWWWQNUSA-N 1 1 336.440 0.612 20 30 ECEDMO C#CCOCCC(=O)N(CCC)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001267459815 837447358 /nfs/dbraw/zinc/44/73/58/837447358.db2.gz NNXNQMOCCFYVKS-HZPDHXFCSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CC[N@H+](CCCNC(=O)C1CC2(C1)CS(=O)(=O)C2)C(C)C ZINC001267503976 837583533 /nfs/dbraw/zinc/58/35/33/837583533.db2.gz LXLGMXKJSKQYPY-UHFFFAOYSA-N 1 1 326.462 0.661 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cn(C)nc2C)C1 ZINC001267514086 837607060 /nfs/dbraw/zinc/60/70/60/837607060.db2.gz RIGFUJRKZAUZFN-AWEZNQCLSA-N 1 1 333.436 0.473 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)C2=CCCC2)C1 ZINC001267524006 837682481 /nfs/dbraw/zinc/68/24/81/837682481.db2.gz NHWBULLTOIEBJP-AWEZNQCLSA-N 1 1 348.447 0.937 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc(F)cn2)C1 ZINC001267525152 837688570 /nfs/dbraw/zinc/68/85/70/837688570.db2.gz YUMYNFBMPSTEDE-LBPRGKRZSA-N 1 1 333.367 0.302 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](O)COC)nc1 ZINC001267535377 837712381 /nfs/dbraw/zinc/71/23/81/837712381.db2.gz VZBVFIDYAZWLOS-XHSDSOJGSA-N 1 1 329.400 0.359 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001267536514 837716847 /nfs/dbraw/zinc/71/68/47/837716847.db2.gz UUOFPHVCMKIGGD-CHWSQXEVSA-N 1 1 342.390 0.890 20 30 ECEDMO CC#CCCCC(=O)N(CCC)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001267546613 837740265 /nfs/dbraw/zinc/74/02/65/837740265.db2.gz RCMULEUDEUMUAS-CQSZACIVSA-N 1 1 336.436 0.688 20 30 ECEDMO CC#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001267546613 837740269 /nfs/dbraw/zinc/74/02/69/837740269.db2.gz RCMULEUDEUMUAS-CQSZACIVSA-N 1 1 336.436 0.688 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cnn(C)c2)C1 ZINC001267552169 837755007 /nfs/dbraw/zinc/75/50/07/837755007.db2.gz VTUYUDLXGFELAU-ZIAGYGMSSA-N 1 1 333.436 0.553 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2cncs2)C1 ZINC001267558260 837767947 /nfs/dbraw/zinc/76/79/47/837767947.db2.gz VLFVGOBEWDJBBO-CYBMUJFWSA-N 1 1 336.461 0.816 20 30 ECEDMO CCn1nc(C(=O)NCC[C@H]2CC[N@@H+](CC#CCOC)C2)ccc1=O ZINC001267569238 837793238 /nfs/dbraw/zinc/79/32/38/837793238.db2.gz RJVMTMFOJMYJEG-HNNXBMFYSA-N 1 1 346.431 0.355 20 30 ECEDMO CN(CCN1CCN(CC#N)CC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267575950 837827209 /nfs/dbraw/zinc/82/72/09/837827209.db2.gz OJBATJBNXXGXBT-IAGOWNOFSA-N 1 1 333.480 0.603 20 30 ECEDMO CCc1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C2)[nH]n1 ZINC001267577908 837833224 /nfs/dbraw/zinc/83/32/24/837833224.db2.gz FUJRZEGAHRMVKY-GFCCVEGCSA-N 1 1 332.408 0.006 20 30 ECEDMO CCc1cc(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NCC#N)C2)n[nH]1 ZINC001267577908 837833232 /nfs/dbraw/zinc/83/32/32/837833232.db2.gz FUJRZEGAHRMVKY-GFCCVEGCSA-N 1 1 332.408 0.006 20 30 ECEDMO CCc1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C2)n[nH]1 ZINC001267577908 837833239 /nfs/dbraw/zinc/83/32/39/837833239.db2.gz FUJRZEGAHRMVKY-GFCCVEGCSA-N 1 1 332.408 0.006 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001266246648 835553111 /nfs/dbraw/zinc/55/31/11/835553111.db2.gz UGPMBILHAIZSCV-KGLIPLIRSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001266246648 835553119 /nfs/dbraw/zinc/55/31/19/835553119.db2.gz UGPMBILHAIZSCV-KGLIPLIRSA-N 1 1 333.436 0.234 20 30 ECEDMO C=CCN1CC[C@H](N2CC[NH+](CCCNC(=O)/C(C)=C\C)CC2)C1=O ZINC001266259926 835568079 /nfs/dbraw/zinc/56/80/79/835568079.db2.gz LNAINKBZVDYMTH-JVMBSBNBSA-N 1 1 348.491 0.863 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCCC[NH+]1CCN(Cc2cnc(C)o2)CC1 ZINC001266262125 835572221 /nfs/dbraw/zinc/57/22/21/835572221.db2.gz DNCNSHZQQWMLGL-HNNXBMFYSA-N 1 1 348.447 0.645 20 30 ECEDMO CCn1ccc(CN2CC[NH+](CCCNC(=O)C#CC3CC3)CC2)n1 ZINC001266262638 835573792 /nfs/dbraw/zinc/57/37/92/835573792.db2.gz MHJOKENXQLASRK-UHFFFAOYSA-N 1 1 343.475 0.940 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)c2cnn3c2CCC3)CC1 ZINC001266264707 835576470 /nfs/dbraw/zinc/57/64/70/835576470.db2.gz FOMCFDWJVYGLNI-UHFFFAOYSA-N 1 1 329.448 0.590 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)c2cncc(COC)c2)CC1 ZINC001266264894 835578871 /nfs/dbraw/zinc/57/88/71/835578871.db2.gz NQLYVQSGORQGSL-UHFFFAOYSA-N 1 1 344.459 0.989 20 30 ECEDMO C=C1CC(C)(C(=O)NCCC[NH+]2CCN(CC(=O)N(C)C)CC2)C1 ZINC001266271532 835592771 /nfs/dbraw/zinc/59/27/71/835592771.db2.gz NFKDOTZEOVNLPH-UHFFFAOYSA-N 1 1 336.480 0.555 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccncc1C ZINC001266272912 835595585 /nfs/dbraw/zinc/59/55/85/835595585.db2.gz GFPYCAYNSLFMCI-CYBMUJFWSA-N 1 1 347.419 0.452 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccncc1C ZINC001266272912 835595593 /nfs/dbraw/zinc/59/55/93/835595593.db2.gz GFPYCAYNSLFMCI-CYBMUJFWSA-N 1 1 347.419 0.452 20 30 ECEDMO Cc1cc(=O)n2nc(C[N@@H+](C)CCNC(=O)C#CC(C)C)sc2n1 ZINC001266273695 835596017 /nfs/dbraw/zinc/59/60/17/835596017.db2.gz YGHOOBYCXKEPHJ-UHFFFAOYSA-N 1 1 347.444 0.667 20 30 ECEDMO Cc1cc(=O)n2nc(C[N@H+](C)CCNC(=O)C#CC(C)C)sc2n1 ZINC001266273695 835596022 /nfs/dbraw/zinc/59/60/22/835596022.db2.gz YGHOOBYCXKEPHJ-UHFFFAOYSA-N 1 1 347.444 0.667 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001266277804 835603840 /nfs/dbraw/zinc/60/38/40/835603840.db2.gz QUMFWQVAFUKCEP-HNNXBMFYSA-N 1 1 332.452 0.150 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001266290859 835634905 /nfs/dbraw/zinc/63/49/05/835634905.db2.gz NFGGHHXMFGJCGF-MELADBBJSA-N 1 1 336.436 0.482 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001266290859 835634910 /nfs/dbraw/zinc/63/49/10/835634910.db2.gz NFGGHHXMFGJCGF-MELADBBJSA-N 1 1 336.436 0.482 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(OC)c2)C1 ZINC001266319096 835688434 /nfs/dbraw/zinc/68/84/34/835688434.db2.gz HAJYCNZQMUCZDS-SJLPKXTDSA-N 1 1 346.427 0.959 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1nn(C)c(C)c1Cl ZINC001266329915 835710724 /nfs/dbraw/zinc/71/07/24/835710724.db2.gz MJOMZWAPBZQLBM-NSHDSACASA-N 1 1 339.827 0.181 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1nn(C)c(C)c1Cl ZINC001266329915 835710726 /nfs/dbraw/zinc/71/07/26/835710726.db2.gz MJOMZWAPBZQLBM-NSHDSACASA-N 1 1 339.827 0.181 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1noc2c1CCCC2 ZINC001266329810 835710954 /nfs/dbraw/zinc/71/09/54/835710954.db2.gz IKMPGPQMUSXJCA-GFCCVEGCSA-N 1 1 332.404 0.353 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1noc2c1CCCC2 ZINC001266329810 835710958 /nfs/dbraw/zinc/71/09/58/835710958.db2.gz IKMPGPQMUSXJCA-GFCCVEGCSA-N 1 1 332.404 0.353 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001266356353 835760685 /nfs/dbraw/zinc/76/06/85/835760685.db2.gz UDMQBVUKGBKMNP-LBPRGKRZSA-N 1 1 341.371 0.184 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001266356353 835760693 /nfs/dbraw/zinc/76/06/93/835760693.db2.gz UDMQBVUKGBKMNP-LBPRGKRZSA-N 1 1 341.371 0.184 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)COc1cc(C)ccc1C ZINC001266358059 835763924 /nfs/dbraw/zinc/76/39/24/835763924.db2.gz LBROEENSZCLYEI-INIZCTEOSA-N 1 1 345.443 0.868 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)COc1cc(C)ccc1C ZINC001266358059 835763936 /nfs/dbraw/zinc/76/39/36/835763936.db2.gz LBROEENSZCLYEI-INIZCTEOSA-N 1 1 345.443 0.868 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)COc1cc(C)ccc1C ZINC001266358062 835764402 /nfs/dbraw/zinc/76/44/02/835764402.db2.gz LBROEENSZCLYEI-MRXNPFEDSA-N 1 1 345.443 0.868 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)COc1cc(C)ccc1C ZINC001266358062 835764413 /nfs/dbraw/zinc/76/44/13/835764413.db2.gz LBROEENSZCLYEI-MRXNPFEDSA-N 1 1 345.443 0.868 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CC12CC[NH+](Cc1nnc(C)o1)CC2 ZINC001266371293 835784783 /nfs/dbraw/zinc/78/47/83/835784783.db2.gz VZJACZZYVJDQGJ-CQSZACIVSA-N 1 1 332.404 0.889 20 30 ECEDMO Cc1c(C(=O)N[C@@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)ccn1C ZINC001266377002 835788086 /nfs/dbraw/zinc/78/80/86/835788086.db2.gz MWMHFCAZBJPODL-OAHLLOKOSA-N 1 1 343.431 0.558 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(N(CCC)C(=O)[C@@H](CC)OC)CC1 ZINC001266384262 835794518 /nfs/dbraw/zinc/79/45/18/835794518.db2.gz BTHXOHWMLBBNSV-MRXNPFEDSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cn(C(C)(C)C)nn1 ZINC001266394333 835801272 /nfs/dbraw/zinc/80/12/72/835801272.db2.gz MVENQQXWRLASGD-CYBMUJFWSA-N 1 1 348.451 0.223 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cn(C(C)(C)C)nn1 ZINC001266394333 835801279 /nfs/dbraw/zinc/80/12/79/835801279.db2.gz MVENQQXWRLASGD-CYBMUJFWSA-N 1 1 348.451 0.223 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)Cc1nc(C)sc1C ZINC001266399156 835807029 /nfs/dbraw/zinc/80/70/29/835807029.db2.gz MOGJLFYUKFEZDE-UHFFFAOYSA-N 1 1 336.461 0.490 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)Cc1nc(C)sc1C ZINC001266399156 835807031 /nfs/dbraw/zinc/80/70/31/835807031.db2.gz MOGJLFYUKFEZDE-UHFFFAOYSA-N 1 1 336.461 0.490 20 30 ECEDMO CCc1nc(C)c(C(=O)NCC[N@@H+](CC)CC(=O)NCC#N)s1 ZINC001266422901 835826289 /nfs/dbraw/zinc/82/62/89/835826289.db2.gz USWCKZQHJNXIHZ-UHFFFAOYSA-N 1 1 337.449 0.705 20 30 ECEDMO CCc1nc(C)c(C(=O)NCC[N@H+](CC)CC(=O)NCC#N)s1 ZINC001266422901 835826293 /nfs/dbraw/zinc/82/62/93/835826293.db2.gz USWCKZQHJNXIHZ-UHFFFAOYSA-N 1 1 337.449 0.705 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001266448997 835853394 /nfs/dbraw/zinc/85/33/94/835853394.db2.gz XMSOVCONYRVTBB-KBPBESRZSA-N 1 1 331.420 0.332 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001266448997 835853402 /nfs/dbraw/zinc/85/34/02/835853402.db2.gz XMSOVCONYRVTBB-KBPBESRZSA-N 1 1 331.420 0.332 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001266448997 835853409 /nfs/dbraw/zinc/85/34/09/835853409.db2.gz XMSOVCONYRVTBB-KBPBESRZSA-N 1 1 331.420 0.332 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 ZINC001266451356 835854241 /nfs/dbraw/zinc/85/42/41/835854241.db2.gz COPCMSDSNDXRBU-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001266456160 835859567 /nfs/dbraw/zinc/85/95/67/835859567.db2.gz RFDMBTNTKHVSLG-UONOGXRCSA-N 1 1 333.436 0.884 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NCC=C ZINC001266460680 835861809 /nfs/dbraw/zinc/86/18/09/835861809.db2.gz BDEKWCQGGNSRCT-GJZGRUSLSA-N 1 1 348.447 0.771 20 30 ECEDMO CCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001266461080 835861683 /nfs/dbraw/zinc/86/16/83/835861683.db2.gz JAJPIDCCCJXXMB-HNNXBMFYSA-N 1 1 341.477 0.310 20 30 ECEDMO C#CCCCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NCC=C ZINC001266460680 835861812 /nfs/dbraw/zinc/86/18/12/835861812.db2.gz BDEKWCQGGNSRCT-GJZGRUSLSA-N 1 1 348.447 0.771 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CC(C)C ZINC001266464560 835866012 /nfs/dbraw/zinc/86/60/12/835866012.db2.gz CQOKMKUUGBLDBC-OAHLLOKOSA-N 1 1 345.447 0.483 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CC(C)C ZINC001266464560 835866017 /nfs/dbraw/zinc/86/60/17/835866017.db2.gz CQOKMKUUGBLDBC-OAHLLOKOSA-N 1 1 345.447 0.483 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001266464240 835866030 /nfs/dbraw/zinc/86/60/30/835866030.db2.gz WLFAUBYXXUISAP-LBPRGKRZSA-N 1 1 339.417 0.344 20 30 ECEDMO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001266468048 835870351 /nfs/dbraw/zinc/87/03/51/835870351.db2.gz INWIIJANZPRGTA-AWEZNQCLSA-N 1 1 329.466 0.569 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC001266471376 835874412 /nfs/dbraw/zinc/87/44/12/835874412.db2.gz NOIBCEGUAYBGFH-DZGCQCFKSA-N 1 1 349.410 0.185 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC001266471376 835874415 /nfs/dbraw/zinc/87/44/15/835874415.db2.gz NOIBCEGUAYBGFH-DZGCQCFKSA-N 1 1 349.410 0.185 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001266472662 835875666 /nfs/dbraw/zinc/87/56/66/835875666.db2.gz ONSMQUXSCHJOJF-CYBMUJFWSA-N 1 1 329.404 0.383 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1cncc(C)c1 ZINC001266474657 835877860 /nfs/dbraw/zinc/87/78/60/835877860.db2.gz SSKYERUXLMCKSF-WBVHZDCISA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cc1cncc(C)c1 ZINC001266474657 835877866 /nfs/dbraw/zinc/87/78/66/835877866.db2.gz SSKYERUXLMCKSF-WBVHZDCISA-N 1 1 342.443 0.651 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccn(C)c1CC ZINC001266482583 835882260 /nfs/dbraw/zinc/88/22/60/835882260.db2.gz DRUCZVUKLCUWGA-CABCVRRESA-N 1 1 344.459 0.920 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(C)c1CC ZINC001266482583 835882263 /nfs/dbraw/zinc/88/22/63/835882263.db2.gz DRUCZVUKLCUWGA-CABCVRRESA-N 1 1 344.459 0.920 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(=O)n1C ZINC001266483252 835883279 /nfs/dbraw/zinc/88/32/79/835883279.db2.gz RINDWHAGOPVOOE-KBPBESRZSA-N 1 1 346.431 0.270 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cccc(=O)n1C ZINC001266483252 835883282 /nfs/dbraw/zinc/88/32/82/835883282.db2.gz RINDWHAGOPVOOE-KBPBESRZSA-N 1 1 346.431 0.270 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cn[nH]c1 ZINC001266486936 835886751 /nfs/dbraw/zinc/88/67/51/835886751.db2.gz SIHDRECSTDRSCW-UKRRQHHQSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1cn[nH]c1 ZINC001266486936 835886758 /nfs/dbraw/zinc/88/67/58/835886758.db2.gz SIHDRECSTDRSCW-UKRRQHHQSA-N 1 1 331.420 0.061 20 30 ECEDMO C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)n(C)cn1 ZINC001266489758 835890689 /nfs/dbraw/zinc/89/06/89/835890689.db2.gz QLLPNOXQCBRQMK-OKILXGFUSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)n(C)cn1 ZINC001266489758 835890695 /nfs/dbraw/zinc/89/06/95/835890695.db2.gz QLLPNOXQCBRQMK-OKILXGFUSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCCOCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC001266497674 835897142 /nfs/dbraw/zinc/89/71/42/835897142.db2.gz KKTPYGMJXQEZIR-OAHLLOKOSA-N 1 1 339.436 0.019 20 30 ECEDMO C=CCCOCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC001266497674 835897147 /nfs/dbraw/zinc/89/71/47/835897147.db2.gz KKTPYGMJXQEZIR-OAHLLOKOSA-N 1 1 339.436 0.019 20 30 ECEDMO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266499625 835900419 /nfs/dbraw/zinc/90/04/19/835900419.db2.gz DRRGNNJOSFLZBX-KBPBESRZSA-N 1 1 340.493 0.842 20 30 ECEDMO CC(C)n1nccc1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266513987 835924351 /nfs/dbraw/zinc/92/43/51/835924351.db2.gz JXPJFJKKMPUQNK-CYBMUJFWSA-N 1 1 332.408 0.155 20 30 ECEDMO CC(C)n1nccc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266513987 835924358 /nfs/dbraw/zinc/92/43/58/835924358.db2.gz JXPJFJKKMPUQNK-CYBMUJFWSA-N 1 1 332.408 0.155 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001266528825 835945660 /nfs/dbraw/zinc/94/56/60/835945660.db2.gz ZUYCHGGQLCSTIZ-JKSUJKDBSA-N 1 1 344.459 0.613 20 30 ECEDMO N#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001266531147 835947632 /nfs/dbraw/zinc/94/76/32/835947632.db2.gz UOFFPTDLJFFAOH-GOEBONIOSA-N 1 1 347.463 0.224 20 30 ECEDMO N#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001266531147 835947645 /nfs/dbraw/zinc/94/76/45/835947645.db2.gz UOFFPTDLJFFAOH-GOEBONIOSA-N 1 1 347.463 0.224 20 30 ECEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CCC1 ZINC001266533562 835951603 /nfs/dbraw/zinc/95/16/03/835951603.db2.gz MGYGKTPESLUKLC-ZDUSSCGKSA-N 1 1 333.436 0.793 20 30 ECEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CCC1 ZINC001266533562 835951610 /nfs/dbraw/zinc/95/16/10/835951610.db2.gz MGYGKTPESLUKLC-ZDUSSCGKSA-N 1 1 333.436 0.793 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001266546881 835968560 /nfs/dbraw/zinc/96/85/60/835968560.db2.gz YTEYXUHCZBGNCR-LSDHHAIUSA-N 1 1 328.416 0.373 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCC)CCNC(=O)c2ncn(C)n2)C1=O ZINC001266560455 835988571 /nfs/dbraw/zinc/98/85/71/835988571.db2.gz NLJLAKISXSXQMI-CYBMUJFWSA-N 1 1 334.424 0.044 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001266565015 835993755 /nfs/dbraw/zinc/99/37/55/835993755.db2.gz IZWQZLRAWVIQLQ-OAHLLOKOSA-N 1 1 338.452 0.255 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCNC(=O)C1CCC1)C1CC1 ZINC001266579569 836009431 /nfs/dbraw/zinc/00/94/31/836009431.db2.gz UBUFHLPNMLMAII-GFCCVEGCSA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCNC(=O)C1CCC1)C1CC1 ZINC001266579569 836009438 /nfs/dbraw/zinc/00/94/38/836009438.db2.gz UBUFHLPNMLMAII-GFCCVEGCSA-N 1 1 336.436 0.767 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1ccncc1C)C1CC1 ZINC001266591119 836020253 /nfs/dbraw/zinc/02/02/53/836020253.db2.gz ZXDDHNXKEKAXPO-CQSZACIVSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1ccncc1C)C1CC1 ZINC001266591119 836020260 /nfs/dbraw/zinc/02/02/60/836020260.db2.gz ZXDDHNXKEKAXPO-CQSZACIVSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[N@@H+](Cc1ccn(C)c(=O)c1)C1CC1 ZINC001266592499 836024127 /nfs/dbraw/zinc/02/41/27/836024127.db2.gz RIKCCVXCDBCHAQ-CQSZACIVSA-N 1 1 331.416 0.504 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnnn2C2CC2)C1 ZINC001266593577 836025259 /nfs/dbraw/zinc/02/52/59/836025259.db2.gz OUGQOPYUQSXJCR-JHJVBQTASA-N 1 1 332.408 0.346 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)c1cnn2ncccc12)C1CC1 ZINC001266595106 836027748 /nfs/dbraw/zinc/02/77/48/836027748.db2.gz YBZJQZYIUZJOEM-UHFFFAOYSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CCN1CC[C@@H](N(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C2CC2)C1=O ZINC001266611512 836046050 /nfs/dbraw/zinc/04/60/50/836046050.db2.gz MIRADBNYHRBBCP-DOTOQJQBSA-N 1 1 348.491 0.696 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1csc2cncn21)C1CC1 ZINC001266614093 836047495 /nfs/dbraw/zinc/04/74/95/836047495.db2.gz RNHFEPADQFLIFW-UHFFFAOYSA-N 1 1 346.416 0.230 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1csc2cncn21)C1CC1 ZINC001266614093 836047504 /nfs/dbraw/zinc/04/75/04/836047504.db2.gz RNHFEPADQFLIFW-UHFFFAOYSA-N 1 1 346.416 0.230 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1ccc(C#C)cn1)C1CC1 ZINC001266617645 836053838 /nfs/dbraw/zinc/05/38/38/836053838.db2.gz RHIVBEGGYZWSIJ-AWEZNQCLSA-N 1 1 338.411 0.395 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1ccc(C#C)cn1)C1CC1 ZINC001266617645 836053845 /nfs/dbraw/zinc/05/38/45/836053845.db2.gz RHIVBEGGYZWSIJ-AWEZNQCLSA-N 1 1 338.411 0.395 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1(O)CCC1)C2 ZINC001279222929 836073625 /nfs/dbraw/zinc/07/36/25/836073625.db2.gz WQOVDCQTJLEEDJ-MUJYYYPQSA-N 1 1 349.475 0.953 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCOCC2)C1 ZINC001266656164 836091140 /nfs/dbraw/zinc/09/11/40/836091140.db2.gz PGTHJUMZYJEOJS-CVEARBPZSA-N 1 1 348.447 0.366 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCOCC2)C1 ZINC001266656164 836091149 /nfs/dbraw/zinc/09/11/49/836091149.db2.gz PGTHJUMZYJEOJS-CVEARBPZSA-N 1 1 348.447 0.366 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC(F)F)C1 ZINC001266659393 836095894 /nfs/dbraw/zinc/09/58/94/836095894.db2.gz OLXQYKYAXUBUAQ-QWHCGFSZSA-N 1 1 327.375 0.704 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cncn2C)C1 ZINC001266659095 836096549 /nfs/dbraw/zinc/09/65/49/836096549.db2.gz MEZWQZHWTZGEMJ-CVEARBPZSA-N 1 1 330.432 0.996 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nc[nH]n2)C1 ZINC001266664126 836101693 /nfs/dbraw/zinc/10/16/93/836101693.db2.gz VNHMQGUKHGVVQB-OLZOCXBDSA-N 1 1 332.408 0.033 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](CNC(=O)CC(N)=O)C1 ZINC001266746777 836232742 /nfs/dbraw/zinc/23/27/42/836232742.db2.gz JBYXFAPLMIBVIU-CQSZACIVSA-N 1 1 338.452 0.115 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CC(C)(C)O)C1 ZINC001266749294 836237133 /nfs/dbraw/zinc/23/71/33/836237133.db2.gz GPSVKRUPZQUROL-UONOGXRCSA-N 1 1 325.453 0.666 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001266749511 836239326 /nfs/dbraw/zinc/23/93/26/836239326.db2.gz IPFWUEAYKCLLCI-OAHLLOKOSA-N 1 1 345.447 0.634 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001266749690 836239349 /nfs/dbraw/zinc/23/93/49/836239349.db2.gz LKVDROPJLJJPBD-HNNXBMFYSA-N 1 1 346.431 0.853 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cncc(OC)n2)C1 ZINC001266749690 836239358 /nfs/dbraw/zinc/23/93/58/836239358.db2.gz LKVDROPJLJJPBD-HNNXBMFYSA-N 1 1 346.431 0.853 20 30 ECEDMO COCC#CCN1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266750352 836240447 /nfs/dbraw/zinc/24/04/47/836240447.db2.gz VGOYNHILMWWBDD-WMZOPIPTSA-N 1 1 333.476 0.806 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccnc(C)c2)C1 ZINC001266764000 836267156 /nfs/dbraw/zinc/26/71/56/836267156.db2.gz KRNZEKSGBBTFOU-HZPDHXFCSA-N 1 1 342.443 0.970 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC(N)=O ZINC001266840646 836365029 /nfs/dbraw/zinc/36/50/29/836365029.db2.gz YPHXCWCPSBGWTL-OAHLLOKOSA-N 1 1 344.415 0.913 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC(N)=O ZINC001266840646 836365038 /nfs/dbraw/zinc/36/50/38/836365038.db2.gz YPHXCWCPSBGWTL-OAHLLOKOSA-N 1 1 344.415 0.913 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c(C)ncn2C)C1 ZINC001266890411 836438741 /nfs/dbraw/zinc/43/87/41/836438741.db2.gz JYJSYSNIICJYRD-DZGCQCFKSA-N 1 1 347.463 0.861 20 30 ECEDMO C[C@H](NC(=O)CCC(F)F)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266890075 836438790 /nfs/dbraw/zinc/43/87/90/836438790.db2.gz ILOAVFJFXJOXSP-RYUDHWBXSA-N 1 1 330.379 0.888 20 30 ECEDMO C[C@H](NC(=O)CCC(F)F)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266890075 836438795 /nfs/dbraw/zinc/43/87/95/836438795.db2.gz ILOAVFJFXJOXSP-RYUDHWBXSA-N 1 1 330.379 0.888 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001266891629 836441419 /nfs/dbraw/zinc/44/14/19/836441419.db2.gz QCJAGCBVOFWGNC-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001266896046 836446859 /nfs/dbraw/zinc/44/68/59/836446859.db2.gz WIYQSHNEVANHRL-OLZOCXBDSA-N 1 1 329.466 0.164 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N[C@@H](C)CCC)C[C@H]21 ZINC001266900884 836453334 /nfs/dbraw/zinc/45/33/34/836453334.db2.gz PCFWZFUKBHKHAK-MIMASFHYSA-N 1 1 337.464 0.665 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N[C@@H](C)CCC)C[C@H]21 ZINC001266900884 836453340 /nfs/dbraw/zinc/45/33/40/836453340.db2.gz PCFWZFUKBHKHAK-MIMASFHYSA-N 1 1 337.464 0.665 20 30 ECEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCOC[C@H]1OC ZINC001266901200 836454876 /nfs/dbraw/zinc/45/48/76/836454876.db2.gz GYWFTLOUYRAHNE-ZNFSNMQZSA-N 1 1 336.432 0.124 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001266902971 836456998 /nfs/dbraw/zinc/45/69/98/836456998.db2.gz SOVYEBBAYQYGLX-HTBDUDNFSA-N 1 1 343.471 0.999 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001266902971 836457004 /nfs/dbraw/zinc/45/70/04/836457004.db2.gz SOVYEBBAYQYGLX-HTBDUDNFSA-N 1 1 343.471 0.999 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001266902916 836458340 /nfs/dbraw/zinc/45/83/40/836458340.db2.gz JZUKVDNVOZGERN-FDQIELQPSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001266902916 836458344 /nfs/dbraw/zinc/45/83/44/836458344.db2.gz JZUKVDNVOZGERN-FDQIELQPSA-N 1 1 345.443 0.130 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C ZINC001266904834 836462705 /nfs/dbraw/zinc/46/27/05/836462705.db2.gz PMGMQXQHYPGWKL-IMSKVBIZSA-N 1 1 347.459 0.658 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H](C)[NH2+]Cc1ncnn1-c1ccccc1 ZINC001266938253 836496753 /nfs/dbraw/zinc/49/67/53/836496753.db2.gz VSNKKKCGNPTDEV-GJZGRUSLSA-N 1 1 341.415 0.900 20 30 ECEDMO C#Cc1cccc(NC(=O)CN[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001266992910 836575548 /nfs/dbraw/zinc/57/55/48/836575548.db2.gz FRUYDYSFRZOQTJ-GDBMZVCRSA-N 1 1 342.443 0.652 20 30 ECEDMO C#Cc1cccc(NC(=O)CN[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001266992910 836575562 /nfs/dbraw/zinc/57/55/62/836575562.db2.gz FRUYDYSFRZOQTJ-GDBMZVCRSA-N 1 1 342.443 0.652 20 30 ECEDMO C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001267001585 836592768 /nfs/dbraw/zinc/59/27/68/836592768.db2.gz SRQLXYQBUUETBQ-HOTGVXAUSA-N 1 1 334.464 0.048 20 30 ECEDMO CC#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ncccc2O)C1 ZINC001267002125 836595000 /nfs/dbraw/zinc/59/50/00/836595000.db2.gz ZLVYYPAUPQMRKW-CQSZACIVSA-N 1 1 344.415 0.369 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC)C1 ZINC001267102527 836775608 /nfs/dbraw/zinc/77/56/08/836775608.db2.gz HOAZADXWFHMBAC-CQSZACIVSA-N 1 1 336.436 0.558 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NC(=O)NC)C1 ZINC001267102527 836775612 /nfs/dbraw/zinc/77/56/12/836775612.db2.gz HOAZADXWFHMBAC-CQSZACIVSA-N 1 1 336.436 0.558 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CCNC(=O)C2CC2)C1 ZINC001267104680 836780992 /nfs/dbraw/zinc/78/09/92/836780992.db2.gz DUJLETKIOOVMAT-GOEBONIOSA-N 1 1 335.448 0.474 20 30 ECEDMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001267104405 836781152 /nfs/dbraw/zinc/78/11/52/836781152.db2.gz BGTORYVZLDZSBN-STQMWFEESA-N 1 1 336.436 0.542 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2nccn2CC)C1 ZINC001267106127 836784820 /nfs/dbraw/zinc/78/48/20/836784820.db2.gz OTCDOYARCAUVGB-AWEZNQCLSA-N 1 1 333.436 0.742 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2nccn2CC)C1 ZINC001267106127 836784828 /nfs/dbraw/zinc/78/48/28/836784828.db2.gz OTCDOYARCAUVGB-AWEZNQCLSA-N 1 1 333.436 0.742 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2nccn2CC)C1 ZINC001267106180 836785064 /nfs/dbraw/zinc/78/50/64/836785064.db2.gz PEAYDYMYLDWZSI-GJZGRUSLSA-N 1 1 345.447 0.577 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CCCN2CCCC2=O)C1 ZINC001267106516 836787857 /nfs/dbraw/zinc/78/78/57/836787857.db2.gz QYPOHOWGEJCGSB-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001267107973 836791446 /nfs/dbraw/zinc/79/14/46/836791446.db2.gz KPSWZMQDKVCKCL-CQSZACIVSA-N 1 1 334.420 0.838 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)C(F)(F)F ZINC001267108732 836792478 /nfs/dbraw/zinc/79/24/78/836792478.db2.gz QFZGFLOZUWDORK-WDEREUQCSA-N 1 1 334.342 0.747 20 30 ECEDMO C[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)C(F)(F)F ZINC001267108732 836792482 /nfs/dbraw/zinc/79/24/82/836792482.db2.gz QFZGFLOZUWDORK-WDEREUQCSA-N 1 1 334.342 0.747 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1)c1ccco1 ZINC001267111618 836798716 /nfs/dbraw/zinc/79/87/16/836798716.db2.gz QYCOHUKTTVLSSL-KBPBESRZSA-N 1 1 332.404 0.946 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)c1ccco1 ZINC001267111618 836798722 /nfs/dbraw/zinc/79/87/22/836798722.db2.gz QYCOHUKTTVLSSL-KBPBESRZSA-N 1 1 332.404 0.946 20 30 ECEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001267112879 836801502 /nfs/dbraw/zinc/80/15/02/836801502.db2.gz YQBUNDJQVHPKCX-AWEZNQCLSA-N 1 1 348.447 0.587 20 30 ECEDMO COCCC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267114302 836804893 /nfs/dbraw/zinc/80/48/93/836804893.db2.gz ZWCCOZXIQKJMAI-CQSZACIVSA-N 1 1 338.452 0.612 20 30 ECEDMO COCCC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267114302 836804900 /nfs/dbraw/zinc/80/49/00/836804900.db2.gz ZWCCOZXIQKJMAI-CQSZACIVSA-N 1 1 338.452 0.612 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)NS(C)(=O)=O ZINC001279576892 836820632 /nfs/dbraw/zinc/82/06/32/836820632.db2.gz QIKPFUVHAIYJMO-MELADBBJSA-N 1 1 327.450 0.013 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1csnn1 ZINC001267171545 836904564 /nfs/dbraw/zinc/90/45/64/836904564.db2.gz JNAMGJWWQDNHSI-LBPRGKRZSA-N 1 1 335.433 0.262 20 30 ECEDMO CCNC(=O)CC(=O)NCC[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC001267192078 836954070 /nfs/dbraw/zinc/95/40/70/836954070.db2.gz GOBITPJKCFKUAE-UHFFFAOYSA-N 1 1 332.404 0.641 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cncc3[nH]cnc32)C1=O ZINC001267198240 836966544 /nfs/dbraw/zinc/96/65/44/836966544.db2.gz IUAHQROOXAITDN-AWEZNQCLSA-N 1 1 342.403 0.406 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cncc3[nH]cnc32)C1=O ZINC001267198240 836966547 /nfs/dbraw/zinc/96/65/47/836966547.db2.gz IUAHQROOXAITDN-AWEZNQCLSA-N 1 1 342.403 0.406 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2nn(C)cc2Cl)C1=O ZINC001267198354 836967039 /nfs/dbraw/zinc/96/70/39/836967039.db2.gz MWLVHCYFSHVZLO-GFCCVEGCSA-N 1 1 339.827 0.522 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2nn(C)cc2Cl)C1=O ZINC001267198354 836967050 /nfs/dbraw/zinc/96/70/50/836967050.db2.gz MWLVHCYFSHVZLO-GFCCVEGCSA-N 1 1 339.827 0.522 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2occ3c2CCOC3)C1=O ZINC001267209822 836996356 /nfs/dbraw/zinc/99/63/56/836996356.db2.gz NFWRWCBQUSAANW-HNNXBMFYSA-N 1 1 347.415 0.801 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2occ3c2CCOC3)C1=O ZINC001267209822 836996365 /nfs/dbraw/zinc/99/63/65/836996365.db2.gz NFWRWCBQUSAANW-HNNXBMFYSA-N 1 1 347.415 0.801 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001267209926 836996731 /nfs/dbraw/zinc/99/67/31/836996731.db2.gz RSVXBQHNLAHBEH-WBMJQRKESA-N 1 1 325.409 0.068 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001267209926 836996742 /nfs/dbraw/zinc/99/67/42/836996742.db2.gz RSVXBQHNLAHBEH-WBMJQRKESA-N 1 1 325.409 0.068 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H](OC)C(F)(F)F ZINC001267224434 837020184 /nfs/dbraw/zinc/02/01/84/837020184.db2.gz CPZNYCJMRAOXIC-WDEREUQCSA-N 1 1 337.342 0.140 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[C@@H](OC)C(F)(F)F ZINC001267224434 837020188 /nfs/dbraw/zinc/02/01/88/837020188.db2.gz CPZNYCJMRAOXIC-WDEREUQCSA-N 1 1 337.342 0.140 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)[C@H](C)C#N)CC(=O)N1CCO[C@@H](C)C1 ZINC001267239335 837046311 /nfs/dbraw/zinc/04/63/11/837046311.db2.gz FASRJUASMQHRPP-CABCVRRESA-N 1 1 338.452 0.610 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2cnn(C)c2CC)C1=O ZINC001267245434 837059381 /nfs/dbraw/zinc/05/93/81/837059381.db2.gz KDBVVVDMMKIVLD-MRXNPFEDSA-N 1 1 347.463 0.821 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cnn2cc[nH]c12 ZINC001267255200 837075680 /nfs/dbraw/zinc/07/56/80/837075680.db2.gz UAJNDLKWXVIQSB-LBPRGKRZSA-N 1 1 332.408 0.405 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cnn2cc[nH]c12 ZINC001267255200 837075684 /nfs/dbraw/zinc/07/56/84/837075684.db2.gz UAJNDLKWXVIQSB-LBPRGKRZSA-N 1 1 332.408 0.405 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001267255337 837075764 /nfs/dbraw/zinc/07/57/64/837075764.db2.gz XPIZFJLPVCOSPK-UONOGXRCSA-N 1 1 338.452 0.126 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001267255337 837075770 /nfs/dbraw/zinc/07/57/70/837075770.db2.gz XPIZFJLPVCOSPK-UONOGXRCSA-N 1 1 338.452 0.126 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1nocc1C ZINC001267254691 837077678 /nfs/dbraw/zinc/07/76/78/837077678.db2.gz ZSAJZMTZWKWOLW-UHFFFAOYSA-N 1 1 337.380 0.047 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1nocc1C ZINC001267254691 837077689 /nfs/dbraw/zinc/07/76/89/837077689.db2.gz ZSAJZMTZWKWOLW-UHFFFAOYSA-N 1 1 337.380 0.047 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cc(C)n(C)c1C ZINC001267256374 837080051 /nfs/dbraw/zinc/08/00/51/837080051.db2.gz TUWDBDHPZGEVBF-HNNXBMFYSA-N 1 1 332.448 0.832 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cc(C)n(C)c1C ZINC001267256374 837080057 /nfs/dbraw/zinc/08/00/57/837080057.db2.gz TUWDBDHPZGEVBF-HNNXBMFYSA-N 1 1 332.448 0.832 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccnn1CCC ZINC001267267103 837105660 /nfs/dbraw/zinc/10/56/60/837105660.db2.gz LJASZFWOYZRAFR-GJZGRUSLSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccnn1CCC ZINC001267267103 837105666 /nfs/dbraw/zinc/10/56/66/837105666.db2.gz LJASZFWOYZRAFR-GJZGRUSLSA-N 1 1 345.447 0.625 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001267269307 837107087 /nfs/dbraw/zinc/10/70/87/837107087.db2.gz MRPFGBVFVAIQBB-OAHLLOKOSA-N 1 1 346.431 0.977 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001267269307 837107091 /nfs/dbraw/zinc/10/70/91/837107091.db2.gz MRPFGBVFVAIQBB-OAHLLOKOSA-N 1 1 346.431 0.977 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001267271627 837113400 /nfs/dbraw/zinc/11/34/00/837113400.db2.gz YZYVMXVHXSVKHF-JKSUJKDBSA-N 1 1 330.432 0.676 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001267272227 837113860 /nfs/dbraw/zinc/11/38/60/837113860.db2.gz KQHYALCRXPQCFO-CQSZACIVSA-N 1 1 332.404 0.643 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCCC)c1 ZINC001267277016 837122496 /nfs/dbraw/zinc/12/24/96/837122496.db2.gz XMXHKIWTOMCLOZ-MRXNPFEDSA-N 1 1 328.416 0.783 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCCC)c1 ZINC001267277016 837122499 /nfs/dbraw/zinc/12/24/99/837122499.db2.gz XMXHKIWTOMCLOZ-MRXNPFEDSA-N 1 1 328.416 0.783 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001267284069 837132802 /nfs/dbraw/zinc/13/28/02/837132802.db2.gz WQJWKSSSIMLUSS-UKRRQHHQSA-N 1 1 333.436 0.406 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001267284069 837132807 /nfs/dbraw/zinc/13/28/07/837132807.db2.gz WQJWKSSSIMLUSS-UKRRQHHQSA-N 1 1 333.436 0.406 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001267293670 837148030 /nfs/dbraw/zinc/14/80/30/837148030.db2.gz WTMJCOAUSFERBB-KGLIPLIRSA-N 1 1 345.447 0.572 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001267304139 837170614 /nfs/dbraw/zinc/17/06/14/837170614.db2.gz FKOPPVVMTQTZIC-GJZGRUSLSA-N 1 1 345.447 0.401 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C2(C)CC(F)(F)C2)C1 ZINC001267306108 837176044 /nfs/dbraw/zinc/17/60/44/837176044.db2.gz DKFISYPQTKHWCH-QWHCGFSZSA-N 1 1 341.402 0.998 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001267306838 837179111 /nfs/dbraw/zinc/17/91/11/837179111.db2.gz XTSJLPOAOCAHPT-AWEZNQCLSA-N 1 1 341.415 0.670 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)[C@]1(F)CCOC1)C(C)C ZINC001267313620 837189414 /nfs/dbraw/zinc/18/94/14/837189414.db2.gz QICZKOVQQUZYBE-INIZCTEOSA-N 1 1 327.400 0.081 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001267314388 837189475 /nfs/dbraw/zinc/18/94/75/837189475.db2.gz HVZGFFCYSCAKIM-LTIDMASMSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1ccnc(OC)c1)C1CC1 ZINC001267327879 837207498 /nfs/dbraw/zinc/20/74/98/837207498.db2.gz CWATVULIQFCORI-ZDUSSCGKSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1ccnc(OC)c1)C1CC1 ZINC001267327879 837207503 /nfs/dbraw/zinc/20/75/03/837207503.db2.gz CWATVULIQFCORI-ZDUSSCGKSA-N 1 1 344.415 0.422 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001267331068 837211747 /nfs/dbraw/zinc/21/17/47/837211747.db2.gz WXFNYSOLLAFSPX-LLVKDONJSA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001267331068 837211757 /nfs/dbraw/zinc/21/17/57/837211757.db2.gz WXFNYSOLLAFSPX-LLVKDONJSA-N 1 1 335.408 0.011 20 30 ECEDMO C#CCC[N@H+](CCNC(=O)Cn1nc2ccccn2c1=O)C1CC1 ZINC001267330914 837212456 /nfs/dbraw/zinc/21/24/56/837212456.db2.gz RWCNIXJNEXMFNA-UHFFFAOYSA-N 1 1 327.388 0.100 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)C2 ZINC001279237228 837231165 /nfs/dbraw/zinc/23/11/65/837231165.db2.gz RDFRCBNJMNKIFH-APIJFGDWSA-N 1 1 326.462 0.660 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc(C)cn2)C1 ZINC001267578633 837835813 /nfs/dbraw/zinc/83/58/13/837835813.db2.gz OFZSKOHTDRDXHQ-HZPDHXFCSA-N 1 1 347.463 0.663 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC001267579928 837840490 /nfs/dbraw/zinc/84/04/90/837840490.db2.gz NTYWQHWFHWZFCW-LSDHHAIUSA-N 1 1 336.436 0.366 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](C[N@@H+](C)C[C@@H](O)Cn2cccn2)C1 ZINC001267580869 837842396 /nfs/dbraw/zinc/84/23/96/837842396.db2.gz FZRLNCDWIJVGGG-DLBZAZTESA-N 1 1 332.448 0.828 20 30 ECEDMO CCn1ccc(CC(=O)N2CC[C@@H](C[N@@H+](C)CC#CCOC)C2)n1 ZINC001267583541 837851684 /nfs/dbraw/zinc/85/16/84/837851684.db2.gz SDKJHRACBKYESU-INIZCTEOSA-N 1 1 332.448 0.876 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccncn2)C1 ZINC001267584662 837856722 /nfs/dbraw/zinc/85/67/22/837856722.db2.gz ZEYHEOPKUSWKAR-ZIAGYGMSSA-N 1 1 329.404 0.056 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnc(C3CC3)o2)C1 ZINC001267584616 837857348 /nfs/dbraw/zinc/85/73/48/837857348.db2.gz HBJBYOVVLSBZAC-ZDUSSCGKSA-N 1 1 344.415 0.695 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001267584763 837858513 /nfs/dbraw/zinc/85/85/13/837858513.db2.gz HYVQKGDIGLIDJS-RBSFLKMASA-N 1 1 343.431 0.043 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001267584763 837858519 /nfs/dbraw/zinc/85/85/19/837858519.db2.gz HYVQKGDIGLIDJS-RBSFLKMASA-N 1 1 343.431 0.043 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001267584763 837858530 /nfs/dbraw/zinc/85/85/30/837858530.db2.gz HYVQKGDIGLIDJS-RBSFLKMASA-N 1 1 343.431 0.043 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn3cccnc3n2)C1 ZINC001267586136 837862508 /nfs/dbraw/zinc/86/25/08/837862508.db2.gz KQZWVQCVAVNTRJ-OAHLLOKOSA-N 1 1 341.415 0.773 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C[N@@H+](C)Cc2cn(C)nn2)CC1 ZINC001267598856 837910232 /nfs/dbraw/zinc/91/02/32/837910232.db2.gz UIFWOMRDTITTCK-KRWDZBQOSA-N 1 1 335.452 0.813 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C[N@H+](C)Cc2cn(C)nn2)CC1 ZINC001267598856 837910237 /nfs/dbraw/zinc/91/02/37/837910237.db2.gz UIFWOMRDTITTCK-KRWDZBQOSA-N 1 1 335.452 0.813 20 30 ECEDMO C[C@H](C#N)C(=O)N(C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001408668415 837912570 /nfs/dbraw/zinc/91/25/70/837912570.db2.gz MOCAGNDJZGXBED-GFCCVEGCSA-N 1 1 326.360 0.615 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(C[N@H+](C)[C@H](C)C(=O)NC)CC2)c1 ZINC001267603160 837929763 /nfs/dbraw/zinc/92/97/63/837929763.db2.gz MSVZHJLVPGXKSB-CQSZACIVSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001267618195 838048282 /nfs/dbraw/zinc/04/82/82/838048282.db2.gz YCOHOWOKZLCEIA-DZGCQCFKSA-N 1 1 348.451 0.019 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001267618195 838048294 /nfs/dbraw/zinc/04/82/94/838048294.db2.gz YCOHOWOKZLCEIA-DZGCQCFKSA-N 1 1 348.451 0.019 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(CCOC)c2C)C1 ZINC001267626206 838077107 /nfs/dbraw/zinc/07/71/07/838077107.db2.gz PNFXANOZBLGNRL-INIZCTEOSA-N 1 1 348.447 0.682 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CCOC)c2C)C1 ZINC001267626206 838077114 /nfs/dbraw/zinc/07/71/14/838077114.db2.gz PNFXANOZBLGNRL-INIZCTEOSA-N 1 1 348.447 0.682 20 30 ECEDMO CC[C@H](SC)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267639000 838118181 /nfs/dbraw/zinc/11/81/81/838118181.db2.gz WNVYFKHNRPDUKJ-STQMWFEESA-N 1 1 326.466 0.548 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC2CCCC2)C1 ZINC001267646950 838135408 /nfs/dbraw/zinc/13/54/08/838135408.db2.gz TWQDOIQICGACHR-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCc2ccncn2)C1 ZINC001267653073 838156031 /nfs/dbraw/zinc/15/60/31/838156031.db2.gz KFWVCWCKUGHAGH-MRXNPFEDSA-N 1 1 330.432 0.839 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(=O)NC)C1 ZINC001267671620 838205653 /nfs/dbraw/zinc/20/56/53/838205653.db2.gz VFAIXHYPZFDQOG-ZDUSSCGKSA-N 1 1 338.452 0.825 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC001267684001 838246621 /nfs/dbraw/zinc/24/66/21/838246621.db2.gz MZFAGIIMFDKFJR-OAHLLOKOSA-N 1 1 330.432 0.477 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001267684848 838248507 /nfs/dbraw/zinc/24/85/07/838248507.db2.gz SSMCRTHCVFOQOX-ZDUSSCGKSA-N 1 1 333.819 0.957 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)[C@@H](C)NC(=O)c2cccs2)C1 ZINC001267686968 838250317 /nfs/dbraw/zinc/25/03/17/838250317.db2.gz VNYIMHOXSYWACY-CYBMUJFWSA-N 1 1 349.456 0.564 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCn2cc(C)cn2)C1 ZINC001267701590 838295547 /nfs/dbraw/zinc/29/55/47/838295547.db2.gz VMXYXIDYAORRFX-CQSZACIVSA-N 1 1 333.436 0.320 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C2CC2)nn1 ZINC001267709107 838314726 /nfs/dbraw/zinc/31/47/26/838314726.db2.gz PEHVFFXIFOAZIG-GJZGRUSLSA-N 1 1 331.420 0.643 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C2CC2)nn1 ZINC001267709107 838314731 /nfs/dbraw/zinc/31/47/31/838314731.db2.gz PEHVFFXIFOAZIG-GJZGRUSLSA-N 1 1 331.420 0.643 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n[nH]nc2c1 ZINC001267709746 838324023 /nfs/dbraw/zinc/32/40/23/838324023.db2.gz VTEGSKHDODEHBQ-STQMWFEESA-N 1 1 328.376 0.454 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n[nH]nc2c1 ZINC001267709746 838324030 /nfs/dbraw/zinc/32/40/30/838324030.db2.gz VTEGSKHDODEHBQ-STQMWFEESA-N 1 1 328.376 0.454 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267714014 838335207 /nfs/dbraw/zinc/33/52/07/838335207.db2.gz YGNKZMDRRFGKEL-RDBSUJKOSA-N 1 1 346.431 0.337 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267715921 838356668 /nfs/dbraw/zinc/35/66/68/838356668.db2.gz FPYYRUKKWCNNFY-ULQDDVLXSA-N 1 1 348.491 0.648 20 30 ECEDMO CSC[C@H](C)C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267718535 838369748 /nfs/dbraw/zinc/36/97/48/838369748.db2.gz NKZMQPHCHNGQRB-ZDUSSCGKSA-N 1 1 340.493 0.796 20 30 ECEDMO CSC[C@@H](C)C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267718534 838369810 /nfs/dbraw/zinc/36/98/10/838369810.db2.gz NKZMQPHCHNGQRB-CYBMUJFWSA-N 1 1 340.493 0.796 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001267722941 838377531 /nfs/dbraw/zinc/37/75/31/838377531.db2.gz SDOFLWDFCGICMT-HNNXBMFYSA-N 1 1 326.462 0.661 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001267722941 838377537 /nfs/dbraw/zinc/37/75/37/838377537.db2.gz SDOFLWDFCGICMT-HNNXBMFYSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C[N@H+](C)Cc2nnc(C)[nH]2)CC1 ZINC001267730413 838416613 /nfs/dbraw/zinc/41/66/13/838416613.db2.gz VMHMLCXSWUZMTC-ZDUSSCGKSA-N 1 1 333.436 0.822 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C[N@@H+](C)Cc2nnc(C)[nH]2)CC1 ZINC001267730413 838416615 /nfs/dbraw/zinc/41/66/15/838416615.db2.gz VMHMLCXSWUZMTC-ZDUSSCGKSA-N 1 1 333.436 0.822 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001267731558 838419145 /nfs/dbraw/zinc/41/91/45/838419145.db2.gz ICIGUPUCHQQSTQ-AWEZNQCLSA-N 1 1 342.399 0.797 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001267731558 838419148 /nfs/dbraw/zinc/41/91/48/838419148.db2.gz ICIGUPUCHQQSTQ-AWEZNQCLSA-N 1 1 342.399 0.797 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001267731328 838419365 /nfs/dbraw/zinc/41/93/65/838419365.db2.gz XYHAMVJIPOTVTK-GOEBONIOSA-N 1 1 333.436 0.582 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001267731328 838419367 /nfs/dbraw/zinc/41/93/67/838419367.db2.gz XYHAMVJIPOTVTK-GOEBONIOSA-N 1 1 333.436 0.582 20 30 ECEDMO CCN(CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(=O)[C@H](C)C#N ZINC001408789243 838431776 /nfs/dbraw/zinc/43/17/76/838431776.db2.gz YZZBVBZHKFBZFZ-TZMCWYRMSA-N 1 1 331.420 0.878 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)C1 ZINC001267748171 838457148 /nfs/dbraw/zinc/45/71/48/838457148.db2.gz QVXWUGFVGPVFHX-GFCCVEGCSA-N 1 1 330.392 0.370 20 30 ECEDMO O=C(CC#Cc1ccccc1)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001267754829 838478691 /nfs/dbraw/zinc/47/86/91/838478691.db2.gz WDJNCAQADBXQLI-IAGOWNOFSA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(CC#Cc1ccccc1)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001267754829 838478694 /nfs/dbraw/zinc/47/86/94/838478694.db2.gz WDJNCAQADBXQLI-IAGOWNOFSA-N 1 1 325.412 0.897 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CSC(C)C)C1 ZINC001267756756 838482327 /nfs/dbraw/zinc/48/23/27/838482327.db2.gz LRFLLTWJZFJRBL-UONOGXRCSA-N 1 1 325.478 0.799 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CSC(C)C)C1 ZINC001267756756 838482333 /nfs/dbraw/zinc/48/23/33/838482333.db2.gz LRFLLTWJZFJRBL-UONOGXRCSA-N 1 1 325.478 0.799 20 30 ECEDMO Cc1c[nH]cc1C(=O)N1CCC(C[N@H+](C)CC(=O)NCC#N)CC1 ZINC001267758705 838483402 /nfs/dbraw/zinc/48/34/02/838483402.db2.gz QTVPIYRGYOCURN-UHFFFAOYSA-N 1 1 331.420 0.747 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001267758328 838484534 /nfs/dbraw/zinc/48/45/34/838484534.db2.gz ATHBFXUZORVKSE-QWHCGFSZSA-N 1 1 332.404 0.624 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001267758328 838484539 /nfs/dbraw/zinc/48/45/39/838484539.db2.gz ATHBFXUZORVKSE-QWHCGFSZSA-N 1 1 332.404 0.624 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001267761167 838487849 /nfs/dbraw/zinc/48/78/49/838487849.db2.gz CDYAYZPROOQCHI-HUUCEWRRSA-N 1 1 331.420 0.338 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001267769273 838513135 /nfs/dbraw/zinc/51/31/35/838513135.db2.gz VTFGCNQARYNSJB-HOTGVXAUSA-N 1 1 342.443 0.983 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001267769273 838513143 /nfs/dbraw/zinc/51/31/43/838513143.db2.gz VTFGCNQARYNSJB-HOTGVXAUSA-N 1 1 342.443 0.983 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](OC)c2cnn(C)c2)C1 ZINC001267769309 838514747 /nfs/dbraw/zinc/51/47/47/838514747.db2.gz WQGWTSLJEZSMRK-JKSUJKDBSA-N 1 1 334.420 0.290 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](OC)c2cnn(C)c2)C1 ZINC001267769309 838514754 /nfs/dbraw/zinc/51/47/54/838514754.db2.gz WQGWTSLJEZSMRK-JKSUJKDBSA-N 1 1 334.420 0.290 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cccn2)C1 ZINC001267776999 838541595 /nfs/dbraw/zinc/54/15/95/838541595.db2.gz ITCZSGMNVKUTCB-JKSUJKDBSA-N 1 1 345.447 0.334 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCCn2cccn2)C1 ZINC001267776999 838541598 /nfs/dbraw/zinc/54/15/98/838541598.db2.gz ITCZSGMNVKUTCB-JKSUJKDBSA-N 1 1 345.447 0.334 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001267786880 838566207 /nfs/dbraw/zinc/56/62/07/838566207.db2.gz RAXMDFVUIISLAK-RDJZCZTQSA-N 1 1 345.443 0.846 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2cnn(CC)c2)C1 ZINC001267790003 838567497 /nfs/dbraw/zinc/56/74/97/838567497.db2.gz LXTXBRHXGNLKEL-MRXNPFEDSA-N 1 1 345.447 0.118 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2cnn(CC)c2)C1 ZINC001267790003 838567501 /nfs/dbraw/zinc/56/75/01/838567501.db2.gz LXTXBRHXGNLKEL-MRXNPFEDSA-N 1 1 345.447 0.118 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001267791658 838572702 /nfs/dbraw/zinc/57/27/02/838572702.db2.gz WBKZKSCMXITYTL-SWLSCSKDSA-N 1 1 346.431 0.966 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001267791658 838572708 /nfs/dbraw/zinc/57/27/08/838572708.db2.gz WBKZKSCMXITYTL-SWLSCSKDSA-N 1 1 346.431 0.966 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001267794932 838574851 /nfs/dbraw/zinc/57/48/51/838574851.db2.gz SOUMPTGCTKBBQG-ZBFHGGJFSA-N 1 1 345.447 0.196 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001267794932 838574860 /nfs/dbraw/zinc/57/48/60/838574860.db2.gz SOUMPTGCTKBBQG-ZBFHGGJFSA-N 1 1 345.447 0.196 20 30 ECEDMO CC[C@@H](CNC(=O)C#CC(C)C)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001267803816 838581667 /nfs/dbraw/zinc/58/16/67/838581667.db2.gz WHJQBZVTZFDNDD-CVEARBPZSA-N 1 1 347.463 0.958 20 30 ECEDMO C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CCCCN2C)CCCC1 ZINC001267842376 838638498 /nfs/dbraw/zinc/63/84/98/838638498.db2.gz RPOTXHXUVVKCCK-HNNXBMFYSA-N 1 1 334.464 0.239 20 30 ECEDMO COC(=O)C1(C#N)CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC001421810685 839209651 /nfs/dbraw/zinc/20/96/51/839209651.db2.gz SBFIJSDPUBNZSI-ZDUSSCGKSA-N 1 1 326.393 0.322 20 30 ECEDMO CCCNC(=O)CCC(=O)N1CCC2(C[NH+](CC#CCOC)C2)CC1 ZINC001268046832 839214708 /nfs/dbraw/zinc/21/47/08/839214708.db2.gz MCKBEOVZSGPGCR-UHFFFAOYSA-N 1 1 349.475 0.867 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cc1cscn1)CC2 ZINC001268047056 839216159 /nfs/dbraw/zinc/21/61/59/839216159.db2.gz RQQJZOHCGSPVJN-UHFFFAOYSA-N 1 1 346.456 0.359 20 30 ECEDMO COC[C@@H](O)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000178500824 232207705 /nfs/dbraw/zinc/20/77/05/232207705.db2.gz DKEBERGCDWPAKG-LBPRGKRZSA-N 1 1 332.360 0.936 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000268584441 252043397 /nfs/dbraw/zinc/04/33/97/252043397.db2.gz NOMRSHSFKXTJPS-UHFFFAOYSA-N 1 1 343.431 0.864 20 30 ECEDMO COCC[NH+]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330210452 285040183 /nfs/dbraw/zinc/04/01/83/285040183.db2.gz CJHBLKAODVXCNR-OAHLLOKOSA-N 1 1 341.452 0.893 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000330378514 285046490 /nfs/dbraw/zinc/04/64/90/285046490.db2.gz GAPFAVXNDOEJKR-KGLIPLIRSA-N 1 1 346.497 0.490 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000330378514 285046491 /nfs/dbraw/zinc/04/64/91/285046491.db2.gz GAPFAVXNDOEJKR-KGLIPLIRSA-N 1 1 346.497 0.490 20 30 ECEDMO C#CCCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000265060555 533061734 /nfs/dbraw/zinc/06/17/34/533061734.db2.gz LPNPRTIQRWADLE-UHFFFAOYSA-N 1 1 328.416 0.897 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000337062003 254662723 /nfs/dbraw/zinc/66/27/23/254662723.db2.gz HLRIZSIFAAIZEU-HIFRSBDPSA-N 1 1 328.482 0.986 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000430410020 254792742 /nfs/dbraw/zinc/79/27/42/254792742.db2.gz BHLFRIXNWBJDKM-OAGGEKHMSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000430410020 254792743 /nfs/dbraw/zinc/79/27/43/254792743.db2.gz BHLFRIXNWBJDKM-OAGGEKHMSA-N 1 1 337.464 0.882 20 30 ECEDMO CC(C[C@@H]1COCCN1C(=O)OC(C)(C)C)N=NC1=[NH+]CCN1 ZINC000496399142 255096401 /nfs/dbraw/zinc/09/64/01/255096401.db2.gz MOXBGSDTOKSUGO-GFCCVEGCSA-N 1 1 325.413 0.937 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000451340924 285319476 /nfs/dbraw/zinc/31/94/76/285319476.db2.gz XTIALBAJMGQKKG-WMLDXEAASA-N 1 1 331.372 0.596 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000451340924 285319478 /nfs/dbraw/zinc/31/94/78/285319478.db2.gz XTIALBAJMGQKKG-WMLDXEAASA-N 1 1 331.372 0.596 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000419348479 209066004 /nfs/dbraw/zinc/06/60/04/209066004.db2.gz SEFYOHKMYDRAOU-CQSZACIVSA-N 1 1 331.372 0.691 20 30 ECEDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000419348479 209066008 /nfs/dbraw/zinc/06/60/08/209066008.db2.gz SEFYOHKMYDRAOU-CQSZACIVSA-N 1 1 331.372 0.691 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC001041696856 782013400 /nfs/dbraw/zinc/01/34/00/782013400.db2.gz XPPQIOAQWGZJRK-GJYPPUQNSA-N 1 1 347.459 0.781 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000329285506 287087650 /nfs/dbraw/zinc/08/76/50/287087650.db2.gz OJVULLKRSRRXHB-FMKPAKJESA-N 1 1 343.493 0.954 20 30 ECEDMO N#Cc1ccc2ncc(CNCCC[N@@H+]3CCC[C@H](C(N)=O)C3)n2c1 ZINC000123645654 222311372 /nfs/dbraw/zinc/31/13/72/222311372.db2.gz IOHUHDYJQDYORB-HNNXBMFYSA-N 1 1 340.431 0.883 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000264649693 263177831 /nfs/dbraw/zinc/17/78/31/263177831.db2.gz FQECIQPFQHOBFT-AWEZNQCLSA-N 1 1 326.400 0.889 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](NC(N)=O)C3)C2=O)cc1 ZINC000272383931 263345603 /nfs/dbraw/zinc/34/56/03/263345603.db2.gz CCHIESJITTXNJK-HIFRSBDPSA-N 1 1 327.388 0.796 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](NC(N)=O)C3)C2=O)cc1 ZINC000272383931 263345605 /nfs/dbraw/zinc/34/56/05/263345605.db2.gz CCHIESJITTXNJK-HIFRSBDPSA-N 1 1 327.388 0.796 20 30 ECEDMO N#Cc1csc(C(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000340229544 270005903 /nfs/dbraw/zinc/00/59/03/270005903.db2.gz XYJBEPZLVLBDOW-UHFFFAOYSA-N 1 1 336.461 0.740 20 30 ECEDMO N#Cc1ncn(CC(=O)N2CC[NH+](CCc3cccs3)CC2)n1 ZINC000531767168 270008300 /nfs/dbraw/zinc/00/83/00/270008300.db2.gz OMUSXMGRJVGFSQ-UHFFFAOYSA-N 1 1 330.417 0.598 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 ZINC000359456020 266151501 /nfs/dbraw/zinc/15/15/01/266151501.db2.gz HFPOUBNPBPDHIY-CQSZACIVSA-N 1 1 349.460 0.693 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 ZINC000359456020 266151505 /nfs/dbraw/zinc/15/15/05/266151505.db2.gz HFPOUBNPBPDHIY-CQSZACIVSA-N 1 1 349.460 0.693 20 30 ECEDMO CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000367764386 266153737 /nfs/dbraw/zinc/15/37/37/266153737.db2.gz WYHAETVQOUNMPS-INIZCTEOSA-N 1 1 331.420 0.365 20 30 ECEDMO CC[N@H+]1CCO[C@H](CN2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000367764386 266153739 /nfs/dbraw/zinc/15/37/39/266153739.db2.gz WYHAETVQOUNMPS-INIZCTEOSA-N 1 1 331.420 0.365 20 30 ECEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCn2cnc(C#N)n2)C1 ZINC000286890360 267213112 /nfs/dbraw/zinc/21/31/12/267213112.db2.gz NMZGZMAHLANHHK-ZDUSSCGKSA-N 1 1 333.440 0.959 20 30 ECEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCn2cnc(C#N)n2)C1 ZINC000286456487 267213586 /nfs/dbraw/zinc/21/35/86/267213586.db2.gz AQCFHRCNIVUEDG-AWEZNQCLSA-N 1 1 333.440 0.961 20 30 ECEDMO C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1Cc1cc(C#N)n(C)c1 ZINC000375960585 267231371 /nfs/dbraw/zinc/23/13/71/267231371.db2.gz JJIJIOFCEKAAMC-MAUKXSAKSA-N 1 1 331.464 0.733 20 30 ECEDMO C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@H+](C2CCC2)C1 ZINC000292419296 267238496 /nfs/dbraw/zinc/23/84/96/267238496.db2.gz WITQOLPPSIBTRJ-GFCCVEGCSA-N 1 1 331.420 0.266 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1cnc[nH]1 ZINC000331867134 267240713 /nfs/dbraw/zinc/24/07/13/267240713.db2.gz LVLZLVQJFROPFC-LBPRGKRZSA-N 1 1 325.376 0.741 20 30 ECEDMO Cc1onc(CC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1C#N ZINC000354616598 267744629 /nfs/dbraw/zinc/74/46/29/267744629.db2.gz FGVKPEAMQFUZKG-UHFFFAOYSA-N 1 1 333.392 0.020 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CC(C(N)=O)=NO3)CC2)cc1 ZINC000372773012 268065171 /nfs/dbraw/zinc/06/51/71/268065171.db2.gz PFLQQFDPRRFKII-MRXNPFEDSA-N 1 1 341.415 0.742 20 30 ECEDMO N#Cc1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccon2)c(F)c1 ZINC000344789637 268074473 /nfs/dbraw/zinc/07/44/73/268074473.db2.gz LYRGHZIRMCLBPD-UHFFFAOYSA-N 1 1 338.364 0.895 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000333117177 268264852 /nfs/dbraw/zinc/26/48/52/268264852.db2.gz GOLYMDPXVFGGIV-KRWDZBQOSA-N 1 1 341.371 0.561 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000528383671 268299677 /nfs/dbraw/zinc/29/96/77/268299677.db2.gz OLGYQJQYDUXZDN-JKSUJKDBSA-N 1 1 344.415 0.788 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000330722901 437600043 /nfs/dbraw/zinc/60/00/43/437600043.db2.gz YRICTCRFOXRUCQ-CABCVRRESA-N 1 1 336.436 0.318 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000408029258 279225457 /nfs/dbraw/zinc/22/54/57/279225457.db2.gz SPOULEPUWAUJKW-MGPQQGTHSA-N 1 1 330.454 0.118 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)C[N@H+]1C1CC1 ZINC000330177569 297320049 /nfs/dbraw/zinc/32/00/49/297320049.db2.gz DAZAGIQVVDOWBH-MBNYWOFBSA-N 1 1 344.481 0.491 20 30 ECEDMO C[C@](O)(CNC(=O)NCc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000073630799 436083378 /nfs/dbraw/zinc/08/33/78/436083378.db2.gz CHUMVGYBSPRMOC-KRWDZBQOSA-N 1 1 332.404 0.441 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000073605275 436084484 /nfs/dbraw/zinc/08/44/84/436084484.db2.gz NNHHRDBOIMPJEV-UHFFFAOYSA-N 1 1 348.491 0.817 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000073605275 436084488 /nfs/dbraw/zinc/08/44/88/436084488.db2.gz NNHHRDBOIMPJEV-UHFFFAOYSA-N 1 1 348.491 0.817 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000073605275 436084492 /nfs/dbraw/zinc/08/44/92/436084492.db2.gz NNHHRDBOIMPJEV-UHFFFAOYSA-N 1 1 348.491 0.817 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000073605275 436084498 /nfs/dbraw/zinc/08/44/98/436084498.db2.gz NNHHRDBOIMPJEV-UHFFFAOYSA-N 1 1 348.491 0.817 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2C)CC1 ZINC000032490099 436239780 /nfs/dbraw/zinc/23/97/80/436239780.db2.gz ICBHZRBCRFUVDQ-KRWDZBQOSA-N 1 1 347.459 0.655 20 30 ECEDMO N#Cc1ccccc1OCC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000076460238 436208345 /nfs/dbraw/zinc/20/83/45/436208345.db2.gz DRMVRJRVSSCVTN-OAHLLOKOSA-N 1 1 344.415 0.641 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000045429647 436366985 /nfs/dbraw/zinc/36/69/85/436366985.db2.gz LRKIXOLXFJVJEU-UHFFFAOYSA-N 1 1 349.456 0.764 20 30 ECEDMO CC(C)(C)OC(=O)N1CCN2C(NCCN3CCCC3)=[NH+]C[C@@H]2C1 ZINC000089120116 436406058 /nfs/dbraw/zinc/40/60/58/436406058.db2.gz GFOVXHMLICYLSW-CQSZACIVSA-N 1 1 337.468 0.963 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000091216562 436444700 /nfs/dbraw/zinc/44/47/00/436444700.db2.gz VOQBNEXNTMBLAY-CQSZACIVSA-N 1 1 327.450 0.303 20 30 ECEDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091589463 436454874 /nfs/dbraw/zinc/45/48/74/436454874.db2.gz ZWCWXKHBQNYXGF-MSOLQXFVSA-N 1 1 349.523 0.952 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000089992134 436425247 /nfs/dbraw/zinc/42/52/47/436425247.db2.gz KHRCLLVDIGEMDO-ZDUSSCGKSA-N 1 1 329.466 0.576 20 30 ECEDMO CN(CCC#N)C(=O)CCN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000092806491 436477114 /nfs/dbraw/zinc/47/71/14/436477114.db2.gz ILWWCJPEKINPFV-OAHLLOKOSA-N 1 1 335.452 0.163 20 30 ECEDMO CN(CCC#N)C(=O)CCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000092806491 436477117 /nfs/dbraw/zinc/47/71/17/436477117.db2.gz ILWWCJPEKINPFV-OAHLLOKOSA-N 1 1 335.452 0.163 20 30 ECEDMO N#Cc1ccc(CN2CCC[N@H+](CCC(=O)NC(N)=O)CC2)cc1 ZINC000055471715 436577598 /nfs/dbraw/zinc/57/75/98/436577598.db2.gz CZKAJOXHEFZVFJ-UHFFFAOYSA-N 1 1 329.404 0.651 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(CCC(=O)NC(N)=O)CC2)cc1 ZINC000055471715 436577599 /nfs/dbraw/zinc/57/75/99/436577599.db2.gz CZKAJOXHEFZVFJ-UHFFFAOYSA-N 1 1 329.404 0.651 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCC(=O)NC(N)=O)CC2)cc1 ZINC000055471715 436577602 /nfs/dbraw/zinc/57/76/02/436577602.db2.gz CZKAJOXHEFZVFJ-UHFFFAOYSA-N 1 1 329.404 0.651 20 30 ECEDMO CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C[C@@H](C)C#N ZINC000103469585 436555798 /nfs/dbraw/zinc/55/57/98/436555798.db2.gz DANHDQAXXKDCFJ-LBPRGKRZSA-N 1 1 332.408 0.305 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000109753025 436626480 /nfs/dbraw/zinc/62/64/80/436626480.db2.gz RADMACCWMOEHMG-MJGOQNOKSA-N 1 1 347.507 0.897 20 30 ECEDMO C[NH+]1CCN([C@@H](C(=O)N2CCO[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000106291832 436592139 /nfs/dbraw/zinc/59/21/39/436592139.db2.gz SEPOHOPBOQCMMJ-DLBZAZTESA-N 1 1 328.416 0.726 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)CC1 ZINC000115384784 436646905 /nfs/dbraw/zinc/64/69/05/436646905.db2.gz TVXSNLINBUCYGX-HNNXBMFYSA-N 1 1 341.415 0.579 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)CC1 ZINC000064443976 436648953 /nfs/dbraw/zinc/64/89/53/436648953.db2.gz YFILWVRUUZKIGT-UHFFFAOYSA-N 1 1 331.391 0.652 20 30 ECEDMO Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000551064270 302352928 /nfs/dbraw/zinc/35/29/28/302352928.db2.gz UGBUFPWZRAKMDV-OAHLLOKOSA-N 1 1 341.415 0.640 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000551970817 302377037 /nfs/dbraw/zinc/37/70/37/302377037.db2.gz YFSYWXNCYUSSOS-UHFFFAOYSA-N 1 1 328.416 0.771 20 30 ECEDMO C=C(C)COCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000121219503 436709603 /nfs/dbraw/zinc/70/96/03/436709603.db2.gz YANFOAICRMVUSE-HNNXBMFYSA-N 1 1 338.452 0.527 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000270140582 436671182 /nfs/dbraw/zinc/67/11/82/436671182.db2.gz DJYAMSVJVAVDTQ-UHFFFAOYSA-N 1 1 344.415 0.532 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nn1CCC#N ZINC000271199105 436679770 /nfs/dbraw/zinc/67/97/70/436679770.db2.gz YZUVACUWVCICCX-KGLIPLIRSA-N 1 1 344.419 0.739 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000124324697 436748953 /nfs/dbraw/zinc/74/89/53/436748953.db2.gz AHYYTQZGLQMEOO-HZMBPMFUSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000124324697 436748956 /nfs/dbraw/zinc/74/89/56/436748956.db2.gz AHYYTQZGLQMEOO-HZMBPMFUSA-N 1 1 334.351 0.471 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC000124418550 436750416 /nfs/dbraw/zinc/75/04/16/436750416.db2.gz IBINRKDXOWWRTQ-WFASDCNBSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC000124418550 436750419 /nfs/dbraw/zinc/75/04/19/436750419.db2.gz IBINRKDXOWWRTQ-WFASDCNBSA-N 1 1 330.388 0.641 20 30 ECEDMO C[N@H+]1CC[C@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC000272482473 436717923 /nfs/dbraw/zinc/71/79/23/436717923.db2.gz RWXQQDNPFFIHDU-GOEBONIOSA-N 1 1 326.400 0.841 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000246085307 436771657 /nfs/dbraw/zinc/77/16/57/436771657.db2.gz LSBLHWTYUZRSPF-ZIAGYGMSSA-N 1 1 346.435 0.972 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC000246167417 436774543 /nfs/dbraw/zinc/77/45/43/436774543.db2.gz UZPPABOQSUCCJR-CVEARBPZSA-N 1 1 336.480 0.914 20 30 ECEDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000246224832 436775668 /nfs/dbraw/zinc/77/56/68/436775668.db2.gz ZWCWXKHBQNYXGF-ZWKOTPCHSA-N 1 1 349.523 0.952 20 30 ECEDMO N#Cc1cccnc1N1CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC000125805515 436777203 /nfs/dbraw/zinc/77/72/03/436777203.db2.gz LAAXFYJYQPAPBO-KRWDZBQOSA-N 1 1 345.447 0.158 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC[C@H]21 ZINC000246940210 436786694 /nfs/dbraw/zinc/78/66/94/436786694.db2.gz GVFINYSAGRYCFZ-ZIAGYGMSSA-N 1 1 344.419 0.678 20 30 ECEDMO C[N@@H+]1CCN(c2cnc(C#N)cn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000127289271 436800387 /nfs/dbraw/zinc/80/03/87/436800387.db2.gz VBBVFAAOMCWTPY-ZDUSSCGKSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2cnc(C#N)cn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000127289271 436800391 /nfs/dbraw/zinc/80/03/91/436800391.db2.gz VBBVFAAOMCWTPY-ZDUSSCGKSA-N 1 1 332.408 0.993 20 30 ECEDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000279777317 436840837 /nfs/dbraw/zinc/84/08/37/436840837.db2.gz UAXLWVNZOWXDPU-DOTOQJQBSA-N 1 1 333.432 0.950 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000293072181 436845675 /nfs/dbraw/zinc/84/56/75/436845675.db2.gz LXRBWQULKPFENG-UHFFFAOYSA-N 1 1 343.427 0.658 20 30 ECEDMO C#C[C@H](C)NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000274753096 436869740 /nfs/dbraw/zinc/86/97/40/436869740.db2.gz FRVRUKIABYOVKI-AWEZNQCLSA-N 1 1 328.416 0.895 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000293859118 436915214 /nfs/dbraw/zinc/91/52/14/436915214.db2.gz BCSUBJAXBDFXES-UHFFFAOYSA-N 1 1 347.440 0.544 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000293859118 436915216 /nfs/dbraw/zinc/91/52/16/436915216.db2.gz BCSUBJAXBDFXES-UHFFFAOYSA-N 1 1 347.440 0.544 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000293901221 436917963 /nfs/dbraw/zinc/91/79/63/436917963.db2.gz FEWQIDBADLKUQG-SOUVJXGZSA-N 1 1 333.432 0.621 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNC(=O)NCc1ccc(C)cc1 ZINC000293901330 436918791 /nfs/dbraw/zinc/91/87/91/436918791.db2.gz FHMVDSNQZPGIOF-UHFFFAOYSA-N 1 1 330.432 0.866 20 30 ECEDMO C[C@@H](CS(C)(=O)=O)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000163099160 436919637 /nfs/dbraw/zinc/91/96/37/436919637.db2.gz WMJPOKVGPKHHRB-NSHDSACASA-N 1 1 330.431 0.355 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000293949112 436921638 /nfs/dbraw/zinc/92/16/38/436921638.db2.gz JUULPUAOMOVFTO-CQSZACIVSA-N 1 1 326.404 0.972 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000293955121 436922123 /nfs/dbraw/zinc/92/21/23/436922123.db2.gz KOTHEDBBANACGB-UHFFFAOYSA-N 1 1 342.359 0.860 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161278305 436888415 /nfs/dbraw/zinc/88/84/15/436888415.db2.gz SZGCDQQFWFYXIU-QWHCGFSZSA-N 1 1 334.424 0.878 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161278305 436888421 /nfs/dbraw/zinc/88/84/21/436888421.db2.gz SZGCDQQFWFYXIU-QWHCGFSZSA-N 1 1 334.424 0.878 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000293692762 436899012 /nfs/dbraw/zinc/89/90/12/436899012.db2.gz WLSZWXPMXQCBAL-GVXVVHGQSA-N 1 1 333.354 0.903 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000293692762 436899017 /nfs/dbraw/zinc/89/90/17/436899017.db2.gz WLSZWXPMXQCBAL-GVXVVHGQSA-N 1 1 333.354 0.903 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccsc1C(=O)OC ZINC000293771594 436908868 /nfs/dbraw/zinc/90/88/68/436908868.db2.gz KYMOYIDDNVPBCC-UHFFFAOYSA-N 1 1 330.431 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)C1=O ZINC000281476096 436973573 /nfs/dbraw/zinc/97/35/73/436973573.db2.gz WGTNXGMHMZZTRP-CYBMUJFWSA-N 1 1 334.420 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)C1=O ZINC000281476096 436973575 /nfs/dbraw/zinc/97/35/75/436973575.db2.gz WGTNXGMHMZZTRP-CYBMUJFWSA-N 1 1 334.420 0.570 20 30 ECEDMO C=CCN1CC[C@@H](N(C)CC[N@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281493823 436974656 /nfs/dbraw/zinc/97/46/56/436974656.db2.gz XOTQCIBIFVQZLR-IYBDPMFKSA-N 1 1 334.464 0.424 20 30 ECEDMO C=CCN1CC[C@@H](N(C)CC[N@@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281493823 436974660 /nfs/dbraw/zinc/97/46/60/436974660.db2.gz XOTQCIBIFVQZLR-IYBDPMFKSA-N 1 1 334.464 0.424 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCN(C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281493823 436974662 /nfs/dbraw/zinc/97/46/62/436974662.db2.gz XOTQCIBIFVQZLR-IYBDPMFKSA-N 1 1 334.464 0.424 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCN(C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281493823 436974666 /nfs/dbraw/zinc/97/46/66/436974666.db2.gz XOTQCIBIFVQZLR-IYBDPMFKSA-N 1 1 334.464 0.424 20 30 ECEDMO [NH2+]=C(NC[C@@H]1CCCCN1C1CC1)N1CCN(c2ncccn2)CC1 ZINC000262895588 436943246 /nfs/dbraw/zinc/94/32/46/436943246.db2.gz XGGCBMMHDNMKGP-INIZCTEOSA-N 1 1 343.479 0.930 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000297775813 437019369 /nfs/dbraw/zinc/01/93/69/437019369.db2.gz JRSNLJHZPAOFLP-UHFFFAOYSA-N 1 1 338.411 0.684 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000297775813 437019373 /nfs/dbraw/zinc/01/93/73/437019373.db2.gz JRSNLJHZPAOFLP-UHFFFAOYSA-N 1 1 338.411 0.684 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000283596721 437031383 /nfs/dbraw/zinc/03/13/83/437031383.db2.gz SOEZIWFILNEJBG-ZDUSSCGKSA-N 1 1 344.437 0.579 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000296441382 436991872 /nfs/dbraw/zinc/99/18/72/436991872.db2.gz WBYXYSJWJNYCMS-YJBOKZPZSA-N 1 1 348.399 0.809 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000296901325 436998199 /nfs/dbraw/zinc/99/81/99/436998199.db2.gz NBFDKIRLZCVIMP-UHFFFAOYSA-N 1 1 345.447 0.673 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000296764586 436998417 /nfs/dbraw/zinc/99/84/17/436998417.db2.gz GADLPGPZHDFUFC-UHFFFAOYSA-N 1 1 338.433 0.088 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC1CCN(c2cccnn2)CC1 ZINC000296727403 436998531 /nfs/dbraw/zinc/99/85/31/436998531.db2.gz CMWVUJBMDSQTPZ-UHFFFAOYSA-N 1 1 330.436 0.700 20 30 ECEDMO C#CCOc1ccc(CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000297348589 437007196 /nfs/dbraw/zinc/00/71/96/437007196.db2.gz CKJZQLQJGJQRLJ-OAHLLOKOSA-N 1 1 331.416 0.907 20 30 ECEDMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000275991322 437041296 /nfs/dbraw/zinc/04/12/96/437041296.db2.gz XNHFOIICRKBJMT-UHFFFAOYSA-N 1 1 326.400 1.000 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000264603252 437052566 /nfs/dbraw/zinc/05/25/66/437052566.db2.gz CIPMSZNWVFKTTN-INIZCTEOSA-N 1 1 345.447 0.970 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)NCC[N@H+](C)CCCOC)c1 ZINC000173579297 437057907 /nfs/dbraw/zinc/05/79/07/437057907.db2.gz UDGWZUWWWFPUOM-UHFFFAOYSA-N 1 1 346.431 0.874 20 30 ECEDMO CN1CC[C@H](O[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000174125715 437075669 /nfs/dbraw/zinc/07/56/69/437075669.db2.gz FJLJDKHAAHPFPR-HNNXBMFYSA-N 1 1 332.404 0.515 20 30 ECEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000302961078 437153671 /nfs/dbraw/zinc/15/36/71/437153671.db2.gz LIRQVVJKAAANDD-RBUKOAKNSA-N 1 1 344.459 0.562 20 30 ECEDMO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C2CC2)N(C)C)CC1 ZINC000303872559 437156072 /nfs/dbraw/zinc/15/60/72/437156072.db2.gz GKTPVXXEHDILLR-CQSZACIVSA-N 1 1 325.457 0.852 20 30 ECEDMO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C2CC2)N(C)C)CC1 ZINC000303872557 437157675 /nfs/dbraw/zinc/15/76/75/437157675.db2.gz GKTPVXXEHDILLR-AWEZNQCLSA-N 1 1 325.457 0.852 20 30 ECEDMO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)N(C)C2CC2)CC1 ZINC000303982228 437157906 /nfs/dbraw/zinc/15/79/06/437157906.db2.gz PYLXPSZOBDRBSJ-GFCCVEGCSA-N 1 1 325.457 0.994 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000304720541 437158417 /nfs/dbraw/zinc/15/84/17/437158417.db2.gz OKFOWMDQMQLAPW-JZXOWHBKSA-N 1 1 336.480 0.962 20 30 ECEDMO CN(CC(=O)Nc1ccc(C#N)cc1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000177356339 437181210 /nfs/dbraw/zinc/18/12/10/437181210.db2.gz XXEMMYCJFTXHBU-MRXNPFEDSA-N 1 1 332.404 0.122 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000265885430 437205629 /nfs/dbraw/zinc/20/56/29/437205629.db2.gz MIHZSLYDDDEHHY-UHFFFAOYSA-N 1 1 337.445 0.944 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](O)C[C@@H]3C)CC2)o1 ZINC000332256818 437209269 /nfs/dbraw/zinc/20/92/69/437209269.db2.gz BIZXITWCVTYUIO-JSGCOSHPSA-N 1 1 347.419 0.349 20 30 ECEDMO C#CCOc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000265961490 437213892 /nfs/dbraw/zinc/21/38/92/437213892.db2.gz QNGLAFRSETVQBM-MRXNPFEDSA-N 1 1 329.400 0.768 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000332354304 437215206 /nfs/dbraw/zinc/21/52/06/437215206.db2.gz RYCNHGFEPKPYPC-SJLPKXTDSA-N 1 1 336.480 0.916 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266187980 437222601 /nfs/dbraw/zinc/22/26/01/437222601.db2.gz MQXMSOGQESZAPF-RYUDHWBXSA-N 1 1 332.408 0.449 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266187980 437222606 /nfs/dbraw/zinc/22/26/06/437222606.db2.gz MQXMSOGQESZAPF-RYUDHWBXSA-N 1 1 332.408 0.449 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@H]2C1 ZINC000332664196 437240201 /nfs/dbraw/zinc/24/02/01/437240201.db2.gz DZVPCETVQBVUTJ-HZSPNIEDSA-N 1 1 330.454 0.260 20 30 ECEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@@H]1COCCO1 ZINC000328637110 437243372 /nfs/dbraw/zinc/24/33/72/437243372.db2.gz ANLDCDOPNMWTDY-CQSZACIVSA-N 1 1 329.441 0.606 20 30 ECEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)NCCN1CCS(=O)(=O)CC1 ZINC000328764640 437260864 /nfs/dbraw/zinc/26/08/64/437260864.db2.gz GKILVNDAPLWQPE-CQSZACIVSA-N 1 1 331.482 0.938 20 30 ECEDMO CN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000329078247 437313156 /nfs/dbraw/zinc/31/31/56/437313156.db2.gz QJOZPABBLYHTHG-KCQAQPDRSA-N 1 1 348.451 0.537 20 30 ECEDMO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329130509 437322922 /nfs/dbraw/zinc/32/29/22/437322922.db2.gz OLAJEZAJRXAXBZ-UKRRQHHQSA-N 1 1 349.435 0.618 20 30 ECEDMO CN(C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1)c1nccn(C)c1=O ZINC000328855951 437272944 /nfs/dbraw/zinc/27/29/44/437272944.db2.gz UDIGCOQPSXCZCK-SOUVJXGZSA-N 1 1 331.420 0.610 20 30 ECEDMO CN(C[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCO1)c1nccn(C)c1=O ZINC000328855951 437272951 /nfs/dbraw/zinc/27/29/51/437272951.db2.gz UDIGCOQPSXCZCK-SOUVJXGZSA-N 1 1 331.420 0.610 20 30 ECEDMO CNC(=O)[C@@]1(C)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000288782126 437354294 /nfs/dbraw/zinc/35/42/94/437354294.db2.gz BUMBLZIYWPRBGZ-HNNXBMFYSA-N 1 1 336.417 0.185 20 30 ECEDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000288782126 437354297 /nfs/dbraw/zinc/35/42/97/437354297.db2.gz BUMBLZIYWPRBGZ-HNNXBMFYSA-N 1 1 336.417 0.185 20 30 ECEDMO Cn1cc(C[N@H+]2CCCN(C([O-])=[NH+]CCn3cncn3)CC2)cn1 ZINC000329420943 437368338 /nfs/dbraw/zinc/36/83/38/437368338.db2.gz DOMIMZAJZAUGLO-UHFFFAOYSA-N 1 1 332.412 0.134 20 30 ECEDMO CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000329155985 437326722 /nfs/dbraw/zinc/32/67/22/437326722.db2.gz CNFWVPIJJXHSSL-BXUZGUMPSA-N 1 1 344.481 0.602 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC1(CO)CC1 ZINC000329161184 437327823 /nfs/dbraw/zinc/32/78/23/437327823.db2.gz FEYQBBQUYOJMBB-ZDUSSCGKSA-N 1 1 325.409 0.181 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000337162881 437337849 /nfs/dbraw/zinc/33/78/49/437337849.db2.gz WDXPLORAKJLAGH-GJZGRUSLSA-N 1 1 346.497 0.803 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1 ZINC000338370353 437406800 /nfs/dbraw/zinc/40/68/00/437406800.db2.gz NQLSGSFTHGZZHZ-XLWVJDPXSA-N 1 1 340.383 0.189 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1 ZINC000338370353 437406806 /nfs/dbraw/zinc/40/68/06/437406806.db2.gz NQLSGSFTHGZZHZ-XLWVJDPXSA-N 1 1 340.383 0.189 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000268523544 437431653 /nfs/dbraw/zinc/43/16/53/437431653.db2.gz BJCIGSDTSIXQPW-UHFFFAOYSA-N 1 1 344.415 0.560 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1CCN2CCOC[C@H]2C1)[NH+]1CCOCC1 ZINC000329860620 437422000 /nfs/dbraw/zinc/42/20/00/437422000.db2.gz XMKHRGGMITXHQO-CVEARBPZSA-N 1 1 340.468 0.274 20 30 ECEDMO CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@@H]1CN(C)CCO1 ZINC000329873826 437423827 /nfs/dbraw/zinc/42/38/27/437423827.db2.gz FDPDYLMRIBXUAB-RDBSUJKOSA-N 1 1 342.440 0.339 20 30 ECEDMO CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@@H]1CN(C)CCO1 ZINC000329873826 437423830 /nfs/dbraw/zinc/42/38/30/437423830.db2.gz FDPDYLMRIBXUAB-RDBSUJKOSA-N 1 1 342.440 0.339 20 30 ECEDMO C=C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329518881 437377391 /nfs/dbraw/zinc/37/73/91/437377391.db2.gz ZOSHKUGLPNSGRN-INIZCTEOSA-N 1 1 335.448 0.878 20 30 ECEDMO CN1C(=O)N[C@@]2(CCN(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)C2)C1=O ZINC000329525178 437379373 /nfs/dbraw/zinc/37/93/73/437379373.db2.gz GYMRIZOXIUQFBA-CXAGYDPISA-N 1 1 349.435 0.748 20 30 ECEDMO Cn1ccc(CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000329604899 437389759 /nfs/dbraw/zinc/38/97/59/437389759.db2.gz ZBQPBZLPIQJUBV-HNNXBMFYSA-N 1 1 348.451 0.115 20 30 ECEDMO CC(C)N1C[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000330237238 437472951 /nfs/dbraw/zinc/47/29/51/437472951.db2.gz HNVNWJBZAMOORI-KGLIPLIRSA-N 1 1 326.441 0.468 20 30 ECEDMO CC[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC000330337590 437485890 /nfs/dbraw/zinc/48/58/90/437485890.db2.gz UEENWPRQVSXJFT-CYBMUJFWSA-N 1 1 349.439 0.412 20 30 ECEDMO CCC(=O)N1CC[C@H](NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000329942853 437434483 /nfs/dbraw/zinc/43/44/83/437434483.db2.gz DBRWHXHVVIURHK-KGLIPLIRSA-N 1 1 325.457 0.137 20 30 ECEDMO Cn1cc(N2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)cn1 ZINC000329957974 437437127 /nfs/dbraw/zinc/43/71/27/437437127.db2.gz PRLGYYPQIQYZPZ-UHFFFAOYSA-N 1 1 338.481 0.505 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000329994118 437443720 /nfs/dbraw/zinc/44/37/20/437443720.db2.gz ZCAPZQMMVWXZAT-BZUAXINKSA-N 1 1 325.501 0.999 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000329994118 437443724 /nfs/dbraw/zinc/44/37/24/437443724.db2.gz ZCAPZQMMVWXZAT-BZUAXINKSA-N 1 1 325.501 0.999 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@]3(CC[N@@H+](C)C3)C1)CC2 ZINC000330162955 437462908 /nfs/dbraw/zinc/46/29/08/437462908.db2.gz AOIHUAOZWVMECR-DYVFJYSZSA-N 1 1 348.451 0.681 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@]3(CC[N@H+](C)C3)C1)CC2 ZINC000330162955 437462911 /nfs/dbraw/zinc/46/29/11/437462911.db2.gz AOIHUAOZWVMECR-DYVFJYSZSA-N 1 1 348.451 0.681 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@]3(CC[N@@H+](C)C3)C1)CC2 ZINC000330162955 437462914 /nfs/dbraw/zinc/46/29/14/437462914.db2.gz AOIHUAOZWVMECR-DYVFJYSZSA-N 1 1 348.451 0.681 20 30 ECEDMO CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000330169761 437463196 /nfs/dbraw/zinc/46/31/96/437463196.db2.gz DKLARUANZJUOQA-KGLIPLIRSA-N 1 1 346.497 0.598 20 30 ECEDMO CC(C)CN1CCN(C(=O)NCC[NH+]2CCSCC2)CC1=O ZINC000330200141 437468353 /nfs/dbraw/zinc/46/83/53/437468353.db2.gz WIUYRCGPVYOTHX-UHFFFAOYSA-N 1 1 328.482 0.749 20 30 ECEDMO C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1ncnn1C ZINC000330208122 437468898 /nfs/dbraw/zinc/46/88/98/437468898.db2.gz AUWQFQLHSHPALS-QWHCGFSZSA-N 1 1 336.440 0.975 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000330371288 437494188 /nfs/dbraw/zinc/49/41/88/437494188.db2.gz IIKDSGRSUTZHOM-ZDUSSCGKSA-N 1 1 340.453 0.268 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000330377342 437495393 /nfs/dbraw/zinc/49/53/93/437495393.db2.gz FEFJEFAOZQZQNH-KBPBESRZSA-N 1 1 346.497 0.490 20 30 ECEDMO COCCN1CN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC000330393243 437500520 /nfs/dbraw/zinc/50/05/20/437500520.db2.gz KEJXDPDNVQRUMV-KBPBESRZSA-N 1 1 326.441 0.769 20 30 ECEDMO C=C[C@@H](CO)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000290590568 437505247 /nfs/dbraw/zinc/50/52/47/437505247.db2.gz MIAAVQOQDSWNEO-ZDUSSCGKSA-N 1 1 327.425 0.592 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC[N@@H+]1C[C@H](C)O ZINC000330413371 437505328 /nfs/dbraw/zinc/50/53/28/437505328.db2.gz ZRKNJKQRRNVDRR-QLFBSQMISA-N 1 1 346.497 0.490 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC[N@H+]1C[C@H](C)O ZINC000330413371 437505332 /nfs/dbraw/zinc/50/53/32/437505332.db2.gz ZRKNJKQRRNVDRR-QLFBSQMISA-N 1 1 346.497 0.490 20 30 ECEDMO N#C[C@@H]1CCC[C@H]1NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000360069222 437515377 /nfs/dbraw/zinc/51/53/77/437515377.db2.gz CSLGOSCDUJMGCH-JKSUJKDBSA-N 1 1 337.468 0.368 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCCC#N ZINC000343149406 437517325 /nfs/dbraw/zinc/51/73/25/437517325.db2.gz OBWLCGKKQWBWCT-AWEZNQCLSA-N 1 1 336.436 0.508 20 30 ECEDMO CO[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000330506236 437532670 /nfs/dbraw/zinc/53/26/70/437532670.db2.gz LDWYNDQMMDZIDE-CABCVRRESA-N 1 1 340.468 0.954 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000330557956 437551502 /nfs/dbraw/zinc/55/15/02/437551502.db2.gz IDGCOVWPOSUYMY-YOEHRIQHSA-N 1 1 336.436 0.196 20 30 ECEDMO CNS(=O)(=O)N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000330822892 437624787 /nfs/dbraw/zinc/62/47/87/437624787.db2.gz HQGIXTRGZKBRTL-UHFFFAOYSA-N 1 1 338.433 0.409 20 30 ECEDMO CC[C@@H]1CN(C(=O)Nc2cc(COC)ncn2)CC[N@H+]1C[C@@H](C)O ZINC000330638481 437575182 /nfs/dbraw/zinc/57/51/82/437575182.db2.gz CTPXKYSBEYDOIE-TZMCWYRMSA-N 1 1 337.424 0.946 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC(=O)NC)c2)C[C@H]1C ZINC000330666180 437582701 /nfs/dbraw/zinc/58/27/01/437582701.db2.gz WFCQCSUUQBLBIM-OCCSQVGLSA-N 1 1 336.440 0.979 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000330666953 437583804 /nfs/dbraw/zinc/58/38/04/437583804.db2.gz XXMPHZULVXNFBH-UHFFFAOYSA-N 1 1 345.465 0.356 20 30 ECEDMO CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000330671185 437585424 /nfs/dbraw/zinc/58/54/24/437585424.db2.gz WFLNMXDNRUKWMD-AWEZNQCLSA-N 1 1 326.441 0.564 20 30 ECEDMO Cc1onc(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1C#N ZINC000354498835 437628493 /nfs/dbraw/zinc/62/84/93/437628493.db2.gz TZMASANDASTYJO-GFCCVEGCSA-N 1 1 333.392 0.101 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000343764227 437649920 /nfs/dbraw/zinc/64/99/20/437649920.db2.gz KKKNVNSFTUQAHI-UHFFFAOYSA-N 1 1 348.491 0.840 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000360973023 437652872 /nfs/dbraw/zinc/65/28/72/437652872.db2.gz RGILJFGCOPTTPU-IRXDYDNUSA-N 1 1 335.496 0.706 20 30 ECEDMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)NCCC#N)cc[nH+]1 ZINC000331005657 437667548 /nfs/dbraw/zinc/66/75/48/437667548.db2.gz POWONPSOQXZQSB-RYUDHWBXSA-N 1 1 335.387 0.877 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)C[C@H](C)C2)CC1 ZINC000192178576 437668578 /nfs/dbraw/zinc/66/85/78/437668578.db2.gz GTZNEKQRPJNBSD-CYBMUJFWSA-N 1 1 329.466 0.713 20 30 ECEDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC#Cc2ccccc2)C1 ZINC000355443610 437705179 /nfs/dbraw/zinc/70/51/79/437705179.db2.gz BZMQJPAWMKPWIJ-KRWDZBQOSA-N 1 1 342.443 0.925 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000356509164 437774521 /nfs/dbraw/zinc/77/45/21/437774521.db2.gz TVLVZDUCUYYQQQ-OAHLLOKOSA-N 1 1 325.453 0.932 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)C)CC1 ZINC000331278081 437732225 /nfs/dbraw/zinc/73/22/25/437732225.db2.gz SGILVNFTAFTUEA-CMPLNLGQSA-N 1 1 329.397 0.059 20 30 ECEDMO CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 ZINC000370699486 437821754 /nfs/dbraw/zinc/82/17/54/437821754.db2.gz MRJONHUIGIYXEP-CQSZACIVSA-N 1 1 342.399 0.754 20 30 ECEDMO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1cccc(S(N)(=O)=O)c1 ZINC000347010792 437825078 /nfs/dbraw/zinc/82/50/78/437825078.db2.gz MFRJWQLPSGEGEZ-LLVKDONJSA-N 1 1 336.417 0.547 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000363465990 437793212 /nfs/dbraw/zinc/79/32/12/437793212.db2.gz ABIKFSGKQPTPJC-GFCCVEGCSA-N 1 1 336.436 0.767 20 30 ECEDMO C#CCOCCC(=O)N1CCC2(C[C@H]2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363843198 437806564 /nfs/dbraw/zinc/80/65/64/437806564.db2.gz FQYFTRHZCOTYAR-INIZCTEOSA-N 1 1 347.459 0.429 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000346445535 437811196 /nfs/dbraw/zinc/81/11/96/437811196.db2.gz NCNZJYQASBNQPH-QWHCGFSZSA-N 1 1 342.465 0.199 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000346445535 437811198 /nfs/dbraw/zinc/81/11/98/437811198.db2.gz NCNZJYQASBNQPH-QWHCGFSZSA-N 1 1 342.465 0.199 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000341416726 437843192 /nfs/dbraw/zinc/84/31/92/437843192.db2.gz HSBMOJUNULKHDF-UHFFFAOYSA-N 1 1 332.404 0.587 20 30 ECEDMO CC(=O)NCC[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347623564 437917550 /nfs/dbraw/zinc/91/75/50/437917550.db2.gz LVXRDZLBODXBQS-INIZCTEOSA-N 1 1 333.436 0.881 20 30 ECEDMO COC(=O)[C@H]1CCCN(CC#CC[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000341878517 437918557 /nfs/dbraw/zinc/91/85/57/437918557.db2.gz VICBEAIVLVBMJM-HOTGVXAUSA-N 1 1 336.432 0.760 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000341958020 437929558 /nfs/dbraw/zinc/92/95/58/437929558.db2.gz LTMZGUSUODIWAO-INIZCTEOSA-N 1 1 333.392 0.952 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000357036145 437891388 /nfs/dbraw/zinc/89/13/88/437891388.db2.gz FXANLTNWMKXNCL-XHSDSOJGSA-N 1 1 336.480 0.694 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000357290869 437958271 /nfs/dbraw/zinc/95/82/71/437958271.db2.gz PHPYWWDKZCVFAE-AWEZNQCLSA-N 1 1 346.435 1.265 20 30 ECEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C1(C(N)=O)CC1 ZINC000347798596 437964649 /nfs/dbraw/zinc/96/46/49/437964649.db2.gz KLHLVILLRMXIQZ-UHFFFAOYSA-N 1 1 347.419 0.559 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425407355 438024772 /nfs/dbraw/zinc/02/47/72/438024772.db2.gz REGXVPOBDNHDJV-DZGCQCFKSA-N 1 1 335.452 0.968 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426127726 438050252 /nfs/dbraw/zinc/05/02/52/438050252.db2.gz NGUXIOKNGNIDNJ-QWRGUYRKSA-N 1 1 334.342 0.747 20 30 ECEDMO C=CCOc1cccc(C[N@H+]2CCCN(S(N)(=O)=O)CC2)c1 ZINC000372404501 438086077 /nfs/dbraw/zinc/08/60/77/438086077.db2.gz MOALDIGGKFSHRX-UHFFFAOYSA-N 1 1 325.434 0.963 20 30 ECEDMO C=CCOc1cccc(C[N@@H+]2CCCN(S(N)(=O)=O)CC2)c1 ZINC000372404501 438086081 /nfs/dbraw/zinc/08/60/81/438086081.db2.gz MOALDIGGKFSHRX-UHFFFAOYSA-N 1 1 325.434 0.963 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CCC(=O)N(C)CCC#N ZINC000372273655 438059740 /nfs/dbraw/zinc/05/97/40/438059740.db2.gz NIFCOXZORLRQEI-KBPBESRZSA-N 1 1 325.409 0.791 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000357815708 438075074 /nfs/dbraw/zinc/07/50/74/438075074.db2.gz MASHHRWNQHDJCV-FFHGMXDLSA-N 1 1 335.452 0.871 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1C#N ZINC000372739301 438110210 /nfs/dbraw/zinc/11/02/10/438110210.db2.gz KHBNRHZJDVVWCT-AWEZNQCLSA-N 1 1 337.445 0.944 20 30 ECEDMO Cc1cccc(S(=O)(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1C#N ZINC000372739301 438110215 /nfs/dbraw/zinc/11/02/15/438110215.db2.gz KHBNRHZJDVVWCT-AWEZNQCLSA-N 1 1 337.445 0.944 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000430414939 438113106 /nfs/dbraw/zinc/11/31/06/438113106.db2.gz NVNYFUXKEIXOSE-LSDHHAIUSA-N 1 1 325.453 0.930 20 30 ECEDMO CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCN2C1=O ZINC000373234787 438139285 /nfs/dbraw/zinc/13/92/85/438139285.db2.gz ZFKKNRKONLRWOC-CQSZACIVSA-N 1 1 327.388 0.938 20 30 ECEDMO Cc1cccc(C[NH+]2CCN(C(=O)NCC(=O)NCC#N)CC2)c1 ZINC000358277483 438192162 /nfs/dbraw/zinc/19/21/62/438192162.db2.gz POLVXEOMASVGEV-UHFFFAOYSA-N 1 1 329.404 0.462 20 30 ECEDMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000367150067 438172917 /nfs/dbraw/zinc/17/29/17/438172917.db2.gz BESXETKMASVTPO-ZDUSSCGKSA-N 1 1 330.454 0.104 20 30 ECEDMO C[C@@]1(C(N)=O)CCCCN1CC#CC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000367464997 438212857 /nfs/dbraw/zinc/21/28/57/438212857.db2.gz XCUYRJFRJQDHSV-ROUUACIJSA-N 1 1 334.464 0.450 20 30 ECEDMO C[C@@]1(C(N)=O)CCCCN1CC#CC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000367464997 438212864 /nfs/dbraw/zinc/21/28/64/438212864.db2.gz XCUYRJFRJQDHSV-ROUUACIJSA-N 1 1 334.464 0.450 20 30 ECEDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCn1cnc(C#N)n1 ZINC000367551408 438222884 /nfs/dbraw/zinc/22/28/84/438222884.db2.gz JKVJLIJRJYMFBO-CYBMUJFWSA-N 1 1 342.407 0.783 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350181166 438200842 /nfs/dbraw/zinc/20/08/42/438200842.db2.gz LCPDKTUOAPGURH-LSDHHAIUSA-N 1 1 340.468 0.819 20 30 ECEDMO N#Cc1cccc(C(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000432529693 438201152 /nfs/dbraw/zinc/20/11/52/438201152.db2.gz YXWDUIOPGRZXLU-UHFFFAOYSA-N 1 1 330.432 0.678 20 30 ECEDMO N#C[C@H]1C[N@@H+](CCCC(=O)NC(N)=O)C[C@@]12c1ccccc1NC2=O ZINC000374353348 438203749 /nfs/dbraw/zinc/20/37/49/438203749.db2.gz RLPYZDWFCFBOOD-GTNSWQLSSA-N 1 1 341.371 0.307 20 30 ECEDMO N#C[C@H]1C[N@H+](CCCC(=O)NC(N)=O)C[C@@]12c1ccccc1NC2=O ZINC000374353348 438203751 /nfs/dbraw/zinc/20/37/51/438203751.db2.gz RLPYZDWFCFBOOD-GTNSWQLSSA-N 1 1 341.371 0.307 20 30 ECEDMO C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)C[C@H]1C(=O)N1CCOCC1 ZINC000375491042 438256978 /nfs/dbraw/zinc/25/69/78/438256978.db2.gz RKPNQEBRJFWPND-HUUCEWRRSA-N 1 1 336.436 0.175 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000375626961 438258565 /nfs/dbraw/zinc/25/85/65/438258565.db2.gz VBNLMKTUVCZVLZ-OCCSQVGLSA-N 1 1 333.392 0.489 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000375626961 438258569 /nfs/dbraw/zinc/25/85/69/438258569.db2.gz VBNLMKTUVCZVLZ-OCCSQVGLSA-N 1 1 333.392 0.489 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000376383692 438282143 /nfs/dbraw/zinc/28/21/43/438282143.db2.gz GYCWFUVRPPXBET-RBSFLKMASA-N 1 1 344.481 0.413 20 30 ECEDMO COC(=O)[C@]1(C)CCN(CC#CC[N@@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000375373438 438251414 /nfs/dbraw/zinc/25/14/14/438251414.db2.gz MHOYMHFTNRDYOC-QZTJIDSGSA-N 1 1 336.432 0.760 20 30 ECEDMO COC(=O)[C@]1(C)CCN(CC#CC[N@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000375373438 438251419 /nfs/dbraw/zinc/25/14/19/438251419.db2.gz MHOYMHFTNRDYOC-QZTJIDSGSA-N 1 1 336.432 0.760 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CCC(C)(C)C#N)CC2)C1 ZINC000377832030 438329080 /nfs/dbraw/zinc/32/90/80/438329080.db2.gz ATTGKBCXTMRZSM-OAHLLOKOSA-N 1 1 342.509 0.968 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000376864847 438297316 /nfs/dbraw/zinc/29/73/16/438297316.db2.gz RAFCCLPYQXJGOI-CQSZACIVSA-N 1 1 337.468 0.099 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000376864847 438297318 /nfs/dbraw/zinc/29/73/18/438297318.db2.gz RAFCCLPYQXJGOI-CQSZACIVSA-N 1 1 337.468 0.099 20 30 ECEDMO CN(C)S(=O)(=O)N(CC#N)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000352048974 438373798 /nfs/dbraw/zinc/37/37/98/438373798.db2.gz TZCIKPGJDCLQTN-UHFFFAOYSA-N 1 1 328.413 0.889 20 30 ECEDMO CN(C)S(=O)(=O)N(CC#N)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000352048974 438373802 /nfs/dbraw/zinc/37/38/02/438373802.db2.gz TZCIKPGJDCLQTN-UHFFFAOYSA-N 1 1 328.413 0.889 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCO2)CC1 ZINC000369067807 438419329 /nfs/dbraw/zinc/41/93/29/438419329.db2.gz VKEITIQCVXZMIN-SJORKVTESA-N 1 1 347.459 0.714 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352241357 438402003 /nfs/dbraw/zinc/40/20/03/438402003.db2.gz KUEVYPRGRCPFAP-UHFFFAOYSA-N 1 1 344.463 0.865 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000359354331 438418138 /nfs/dbraw/zinc/41/81/38/438418138.db2.gz TXFFLJBLOCUGTQ-CVEARBPZSA-N 1 1 349.479 0.243 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](O)CC[C@H]3C)CC2)o1 ZINC000421023379 438462432 /nfs/dbraw/zinc/46/24/32/438462432.db2.gz PPGYJKANRLEERN-TZMCWYRMSA-N 1 1 347.419 0.349 20 30 ECEDMO C[C@@H](C(=O)N1CCC(n2cnc(C#N)n2)CC1)[NH+]1CCSCC1 ZINC000369380119 438463640 /nfs/dbraw/zinc/46/36/40/438463640.db2.gz RHGURQTWOSEDJS-LBPRGKRZSA-N 1 1 334.449 0.751 20 30 ECEDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000440276959 438539259 /nfs/dbraw/zinc/53/92/59/438539259.db2.gz OKBDBWXPHJWKNG-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000422487232 438577711 /nfs/dbraw/zinc/57/77/11/438577711.db2.gz JKOMFHMPKXONOS-AWEZNQCLSA-N 1 1 336.436 0.223 20 30 ECEDMO C=CCCN(C)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000410510943 438594960 /nfs/dbraw/zinc/59/49/60/438594960.db2.gz FVXMTZSHFKZDTF-INIZCTEOSA-N 1 1 336.480 0.649 20 30 ECEDMO N#Cc1cc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)ccc1Cl ZINC000451996046 438624794 /nfs/dbraw/zinc/62/47/94/438624794.db2.gz XTIYIURJDFQSNC-UHFFFAOYSA-N 1 1 343.836 0.947 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000412069749 438685210 /nfs/dbraw/zinc/68/52/10/438685210.db2.gz HYXVACDXMDSHBI-STQMWFEESA-N 1 1 327.450 0.833 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000412069749 438685214 /nfs/dbraw/zinc/68/52/14/438685214.db2.gz HYXVACDXMDSHBI-STQMWFEESA-N 1 1 327.450 0.833 20 30 ECEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453665917 438688332 /nfs/dbraw/zinc/68/83/32/438688332.db2.gz IFAPBXIQRNIMGM-INIZCTEOSA-N 1 1 344.415 0.606 20 30 ECEDMO CNC(=O)CCOC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000494978168 438714514 /nfs/dbraw/zinc/71/45/14/438714514.db2.gz UGRBXLLDCUXDOC-KRWDZBQOSA-N 1 1 338.452 0.658 20 30 ECEDMO N#Cc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1F ZINC000454489030 438718824 /nfs/dbraw/zinc/71/88/24/438718824.db2.gz VMGYXEYRDYJEHJ-OAHLLOKOSA-N 1 1 347.394 0.836 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](O)[C@H](OC)C2)c(OC)c1 ZINC000451747050 438712322 /nfs/dbraw/zinc/71/23/22/438712322.db2.gz FAPLPRNCDQBLOF-IIDMSEBBSA-N 1 1 337.416 0.855 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457141996 438797880 /nfs/dbraw/zinc/79/78/80/438797880.db2.gz YUZQLMYXJHNRSM-CYBMUJFWSA-N 1 1 333.388 0.471 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457141996 438797885 /nfs/dbraw/zinc/79/78/85/438797885.db2.gz YUZQLMYXJHNRSM-CYBMUJFWSA-N 1 1 333.388 0.471 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C#N)cc1F ZINC000576068074 438768135 /nfs/dbraw/zinc/76/81/35/438768135.db2.gz UVBWZSINKWYZSA-UHFFFAOYSA-N 1 1 342.440 0.859 20 30 ECEDMO CN(CCCNS(=O)(=O)c1ccc(C#N)cc1F)CC[NH+](C)C ZINC000576068074 438768136 /nfs/dbraw/zinc/76/81/36/438768136.db2.gz UVBWZSINKWYZSA-UHFFFAOYSA-N 1 1 342.440 0.859 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC[N@@H+]3CCO[C@H](C)C3)CC2)c1C#N ZINC000558617150 438815341 /nfs/dbraw/zinc/81/53/41/438815341.db2.gz DVXPGKMTCITPQF-CQSZACIVSA-N 1 1 332.452 0.443 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC[N@H+]3CCO[C@H](C)C3)CC2)c1C#N ZINC000558617150 438815344 /nfs/dbraw/zinc/81/53/44/438815344.db2.gz DVXPGKMTCITPQF-CQSZACIVSA-N 1 1 332.452 0.443 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595612874 438833765 /nfs/dbraw/zinc/83/37/65/438833765.db2.gz WCDSWKWNOKATBE-HZPDHXFCSA-N 1 1 327.388 0.912 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000559841348 438835857 /nfs/dbraw/zinc/83/58/57/438835857.db2.gz BNONVFWUCMDMDY-QEJZJMRPSA-N 1 1 331.420 0.379 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000559841348 438835859 /nfs/dbraw/zinc/83/58/59/438835859.db2.gz BNONVFWUCMDMDY-QEJZJMRPSA-N 1 1 331.420 0.379 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588861374 438845792 /nfs/dbraw/zinc/84/57/92/438845792.db2.gz SONYMCUNOCGEJI-LSDHHAIUSA-N 1 1 345.399 0.613 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000588897239 438847830 /nfs/dbraw/zinc/84/78/30/438847830.db2.gz JLPNDWZMJRYVKH-IAGOWNOFSA-N 1 1 349.456 0.919 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@H]2COCCO2)CC1 ZINC000595737040 438853931 /nfs/dbraw/zinc/85/39/31/438853931.db2.gz PPKRKLGJHQTZAE-HOTGVXAUSA-N 1 1 338.452 0.026 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@H]2COCCO2)CC1 ZINC000595737040 438853937 /nfs/dbraw/zinc/85/39/37/438853937.db2.gz PPKRKLGJHQTZAE-HOTGVXAUSA-N 1 1 338.452 0.026 20 30 ECEDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000564988752 438900626 /nfs/dbraw/zinc/90/06/26/438900626.db2.gz HLOYWXXVBSEDOT-MRXNPFEDSA-N 1 1 347.419 0.835 20 30 ECEDMO Cc1nn(C)c(N2CCN(C[C@H](O)C[N@@H+](C)C3CC3)CC2)c1C#N ZINC000589261715 438866074 /nfs/dbraw/zinc/86/60/74/438866074.db2.gz QNFCKXWDARKCDC-OAHLLOKOSA-N 1 1 332.452 0.177 20 30 ECEDMO C[C@]1(C#N)CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000595842738 438870193 /nfs/dbraw/zinc/87/01/93/438870193.db2.gz ZGYIHMHYIWGXLW-QGZVFWFLSA-N 1 1 328.420 0.751 20 30 ECEDMO C[C@]1(C#N)CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000595842738 438870197 /nfs/dbraw/zinc/87/01/97/438870197.db2.gz ZGYIHMHYIWGXLW-QGZVFWFLSA-N 1 1 328.420 0.751 20 30 ECEDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)[C@@H]2C1 ZINC000589929524 438893647 /nfs/dbraw/zinc/89/36/47/438893647.db2.gz JOTYXGLMPCPUJR-ZWNOBZJWSA-N 1 1 336.373 0.791 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000590604111 438941702 /nfs/dbraw/zinc/94/17/02/438941702.db2.gz XGFPFTVZXGGHMY-MOPGFXCFSA-N 1 1 346.475 0.808 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)C1 ZINC000590747032 438953622 /nfs/dbraw/zinc/95/36/22/438953622.db2.gz ZFTZOFDMOROAHJ-OAHLLOKOSA-N 1 1 340.493 0.722 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@](O)(CO)C3)C2=O)cc1 ZINC000459627311 438980735 /nfs/dbraw/zinc/98/07/35/438980735.db2.gz DFIVDSXZXZMWQN-SJLPKXTDSA-N 1 1 329.400 0.873 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@](O)(CO)C3)C2=O)cc1 ZINC000459627311 438980740 /nfs/dbraw/zinc/98/07/40/438980740.db2.gz DFIVDSXZXZMWQN-SJLPKXTDSA-N 1 1 329.400 0.873 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+](CCO)CCOCCO)C2=O)cc1 ZINC000459790572 438999743 /nfs/dbraw/zinc/99/97/43/438999743.db2.gz MFZDQSUURIQVRL-KRWDZBQOSA-N 1 1 347.415 0.357 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+](CCO)CCOCCO)C2=O)cc1 ZINC000459790572 438999750 /nfs/dbraw/zinc/99/97/50/438999750.db2.gz MFZDQSUURIQVRL-KRWDZBQOSA-N 1 1 347.415 0.357 20 30 ECEDMO N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000602046043 439003920 /nfs/dbraw/zinc/00/39/20/439003920.db2.gz FXLARSAQZBKZOE-HZPDHXFCSA-N 1 1 341.415 0.465 20 30 ECEDMO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000580642007 439113562 /nfs/dbraw/zinc/11/35/62/439113562.db2.gz SAWZCYJBFLYQES-CQSZACIVSA-N 1 1 325.434 0.386 20 30 ECEDMO COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000567102650 439114949 /nfs/dbraw/zinc/11/49/49/439114949.db2.gz BJKSYMHOJDBWQX-GDBMZVCRSA-N 1 1 334.420 0.488 20 30 ECEDMO C[C@@H]1COCC[N@H+]1C1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000519803923 439065668 /nfs/dbraw/zinc/06/56/68/439065668.db2.gz YKNJEGAKBKEMKM-MRXNPFEDSA-N 1 1 347.463 0.827 20 30 ECEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)C1 ZINC000580271224 439075594 /nfs/dbraw/zinc/07/55/94/439075594.db2.gz KHRHCSGZEKVXOE-OBJOEFQTSA-N 1 1 331.420 0.122 20 30 ECEDMO CC(C)N1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1=O ZINC000591742139 439081064 /nfs/dbraw/zinc/08/10/64/439081064.db2.gz AWRHDNGKPHYHOQ-HNNXBMFYSA-N 1 1 335.429 0.931 20 30 ECEDMO N#Cc1cnn2cc(C[N@H+]3C[C@H](O)C[C@@H]3[C@H]3CCCOC3)cnc12 ZINC000566737308 439084185 /nfs/dbraw/zinc/08/41/85/439084185.db2.gz GQUZJTIHFCMCCD-NUEKZKHPSA-N 1 1 327.388 0.963 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000592184893 439173408 /nfs/dbraw/zinc/17/34/08/439173408.db2.gz MHAQUYBEVQODGD-RISCZKNCSA-N 1 1 348.369 0.995 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000592184893 439173413 /nfs/dbraw/zinc/17/34/13/439173413.db2.gz MHAQUYBEVQODGD-RISCZKNCSA-N 1 1 348.369 0.995 20 30 ECEDMO CN(C)C[C@]1(O)CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878498 439149817 /nfs/dbraw/zinc/14/98/17/439149817.db2.gz XNDYARHIQMSSQZ-NVXWUHKLSA-N 1 1 325.453 0.446 20 30 ECEDMO CN(C)C[C@]1(O)CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878498 439149822 /nfs/dbraw/zinc/14/98/22/439149822.db2.gz XNDYARHIQMSSQZ-NVXWUHKLSA-N 1 1 325.453 0.446 20 30 ECEDMO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908624 439157401 /nfs/dbraw/zinc/15/74/01/439157401.db2.gz DVILFPLCIINFNT-GFCCVEGCSA-N 1 1 330.388 0.810 20 30 ECEDMO CC[C@@]1(O)CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000602983190 439175828 /nfs/dbraw/zinc/17/58/28/439175828.db2.gz DNMUUGSIRMVUNB-FUHWJXTLSA-N 1 1 336.480 0.916 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000592206431 439183145 /nfs/dbraw/zinc/18/31/45/439183145.db2.gz GEAYWTGBLYXQQP-FOCJUVANSA-N 1 1 325.409 0.285 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000592206431 439183150 /nfs/dbraw/zinc/18/31/50/439183150.db2.gz GEAYWTGBLYXQQP-FOCJUVANSA-N 1 1 325.409 0.285 20 30 ECEDMO C=CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000568754249 439275495 /nfs/dbraw/zinc/27/54/95/439275495.db2.gz MYPYSAFQRLBGHU-DZGCQCFKSA-N 1 1 337.445 0.956 20 30 ECEDMO Cc1cc(NC(=O)CN2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)no1 ZINC000598583600 439280327 /nfs/dbraw/zinc/28/03/27/439280327.db2.gz BUPSTCYBKSBGCH-CQSZACIVSA-N 1 1 349.435 0.840 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000490674692 439283965 /nfs/dbraw/zinc/28/39/65/439283965.db2.gz CLQSVJHTCWCZSG-UKRRQHHQSA-N 1 1 349.456 0.811 20 30 ECEDMO CCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H](C)C#N ZINC000598359330 439255712 /nfs/dbraw/zinc/25/57/12/439255712.db2.gz KJLGARJOMLPBMP-LSDHHAIUSA-N 1 1 336.436 0.460 20 30 ECEDMO Cc1cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(C#N)cn1 ZINC000603423945 439259237 /nfs/dbraw/zinc/25/92/37/439259237.db2.gz RQLXHWUNQFMKPM-KRWDZBQOSA-N 1 1 329.448 0.892 20 30 ECEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@H]1C ZINC000527407721 439271563 /nfs/dbraw/zinc/27/15/63/439271563.db2.gz OIOYHWJRPZJNGG-ZIAGYGMSSA-N 1 1 346.435 0.985 20 30 ECEDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@H]1C ZINC000527407721 439271569 /nfs/dbraw/zinc/27/15/69/439271569.db2.gz OIOYHWJRPZJNGG-ZIAGYGMSSA-N 1 1 346.435 0.985 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCS(=O)(=O)C1 ZINC000490917060 439312276 /nfs/dbraw/zinc/31/22/76/439312276.db2.gz VTPZIMCUNCPQTL-KFWWJZLASA-N 1 1 339.461 0.445 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)CC1 ZINC000490950893 439317986 /nfs/dbraw/zinc/31/79/86/439317986.db2.gz UWEFQHHRLONGEY-INIZCTEOSA-N 1 1 335.448 0.239 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](CO)[C@@H](O)C3)C2=O)cc1 ZINC000569328459 439323550 /nfs/dbraw/zinc/32/35/50/439323550.db2.gz CWHJFQXLJJHPDU-PVAVHDDUSA-N 1 1 329.400 0.729 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H](CO)[C@@H](O)C3)C2=O)cc1 ZINC000569328459 439323553 /nfs/dbraw/zinc/32/35/53/439323553.db2.gz CWHJFQXLJJHPDU-PVAVHDDUSA-N 1 1 329.400 0.729 20 30 ECEDMO C#CCN(C)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000491154933 439338934 /nfs/dbraw/zinc/33/89/34/439338934.db2.gz NDSIUQCNSCKNRD-UHFFFAOYSA-N 1 1 342.399 0.104 20 30 ECEDMO C#CCNC(=O)C1CC[NH+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000491066991 439327236 /nfs/dbraw/zinc/32/72/36/439327236.db2.gz FSJIHDGGONIIHX-GFCCVEGCSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000491119259 439332466 /nfs/dbraw/zinc/33/24/66/439332466.db2.gz HVZLCCXAXAHLJW-UHFFFAOYSA-N 1 1 334.464 0.192 20 30 ECEDMO C#CCN(CC#CC)C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000490687994 439287530 /nfs/dbraw/zinc/28/75/30/439287530.db2.gz GNBHOXGNCQAJPO-IAGOWNOFSA-N 1 1 329.444 0.804 20 30 ECEDMO N#CC[C@@]1(O)CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000592843991 439287930 /nfs/dbraw/zinc/28/79/30/439287930.db2.gz IJEJMURPYUGTLU-MSOLQXFVSA-N 1 1 329.400 0.500 20 30 ECEDMO CN(C)S(=O)(=O)N1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598618360 439289766 /nfs/dbraw/zinc/28/97/66/439289766.db2.gz WRCHUCSCOCRIMM-CYBMUJFWSA-N 1 1 332.470 0.101 20 30 ECEDMO COCCNC(=O)C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000604323279 439306954 /nfs/dbraw/zinc/30/69/54/439306954.db2.gz YUSYRRANIZZBGW-UHFFFAOYSA-N 1 1 349.435 0.117 20 30 ECEDMO C[C@]1(CO)C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@]1(C)CO ZINC000528747450 439365764 /nfs/dbraw/zinc/36/57/64/439365764.db2.gz AISTXBABGJPLAS-RYQLBKOJSA-N 1 1 334.416 0.611 20 30 ECEDMO C[C@@]1(C(N)=O)CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528484480 439341955 /nfs/dbraw/zinc/34/19/55/439341955.db2.gz IFGYRRHTBJNTSE-GOSISDBHSA-N 1 1 325.368 0.483 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000491164429 439342967 /nfs/dbraw/zinc/34/29/67/439342967.db2.gz BRWXGHMNLSQAPF-UHFFFAOYSA-N 1 1 343.431 0.890 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCNS(=O)(=O)c1cccs1 ZINC000491229752 439353760 /nfs/dbraw/zinc/35/37/60/439353760.db2.gz IZEAJSLJIMKWMB-UHFFFAOYSA-N 1 1 343.474 0.488 20 30 ECEDMO C[C@]1(CO)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]1(C)CO ZINC000528752335 439370258 /nfs/dbraw/zinc/37/02/58/439370258.db2.gz OZVQHRQLBDOPAC-QRQLOZEOSA-N 1 1 343.427 0.976 20 30 ECEDMO C[C@]1(CO)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]1(C)CO ZINC000528752335 439370261 /nfs/dbraw/zinc/37/02/61/439370261.db2.gz OZVQHRQLBDOPAC-QRQLOZEOSA-N 1 1 343.427 0.976 20 30 ECEDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599278098 439413854 /nfs/dbraw/zinc/41/38/54/439413854.db2.gz ADZYEDMPDHBVLP-KGLIPLIRSA-N 1 1 345.465 0.071 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccsc1C#N ZINC000593595856 439417785 /nfs/dbraw/zinc/41/77/85/439417785.db2.gz LNBQKGAHGJSDLC-UHFFFAOYSA-N 1 1 330.479 0.782 20 30 ECEDMO CN(CCCNS(=O)(=O)c1ccsc1C#N)CC[NH+](C)C ZINC000593595856 439417789 /nfs/dbraw/zinc/41/77/89/439417789.db2.gz LNBQKGAHGJSDLC-UHFFFAOYSA-N 1 1 330.479 0.782 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000491669835 439423939 /nfs/dbraw/zinc/42/39/39/439423939.db2.gz UXXSRTNCGCKUJA-MRXNPFEDSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491673334 439424511 /nfs/dbraw/zinc/42/45/11/439424511.db2.gz IJMXGALIGYKCBD-DZGCQCFKSA-N 1 1 347.381 0.399 20 30 ECEDMO CC[N@@H+](CCNc1c(C#N)c(=O)n(C)c(=O)n1C)CCC(F)(F)F ZINC000491720768 439434439 /nfs/dbraw/zinc/43/44/39/439434439.db2.gz OXCJTGUAQZYDRA-UHFFFAOYSA-N 1 1 347.341 0.642 20 30 ECEDMO N#Cc1cccc(N2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)n1 ZINC000583234580 439436119 /nfs/dbraw/zinc/43/61/19/439436119.db2.gz MXXBIILXBAKELJ-CALCHBBNSA-N 1 1 327.432 0.938 20 30 ECEDMO N#Cc1cccc(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)n1 ZINC000583234580 439436123 /nfs/dbraw/zinc/43/61/23/439436123.db2.gz MXXBIILXBAKELJ-CALCHBBNSA-N 1 1 327.432 0.938 20 30 ECEDMO N#Cc1cccc(N2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)n1 ZINC000583234580 439436127 /nfs/dbraw/zinc/43/61/27/439436127.db2.gz MXXBIILXBAKELJ-CALCHBBNSA-N 1 1 327.432 0.938 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCc3cccc(OC)c3CC2)CC1 ZINC000491738484 439438827 /nfs/dbraw/zinc/43/88/27/439438827.db2.gz FQLYTYALQZVECV-UHFFFAOYSA-N 1 1 341.455 0.873 20 30 ECEDMO C#CCN(C(=O)N[C@H](C)C[N@H+](CC)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000491744869 439440305 /nfs/dbraw/zinc/44/03/05/439440305.db2.gz SSXITWHCYQQENP-HUUCEWRRSA-N 1 1 343.493 0.939 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000491760472 439443493 /nfs/dbraw/zinc/44/34/93/439443493.db2.gz QKGOQUYYPXZMKC-CZUORRHYSA-N 1 1 332.448 0.640 20 30 ECEDMO N#CCc1cccc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000593905160 439492370 /nfs/dbraw/zinc/49/23/70/439492370.db2.gz PRRLPXDFIKETIH-INIZCTEOSA-N 1 1 326.400 0.789 20 30 ECEDMO CCC[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@H]1CC(=O)N(C)C1=O ZINC000599402374 439458405 /nfs/dbraw/zinc/45/84/05/439458405.db2.gz PAPBSFWLNNQFLD-CABCVRRESA-N 1 1 345.399 0.767 20 30 ECEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000533324867 439524860 /nfs/dbraw/zinc/52/48/60/439524860.db2.gz WLGUMEUMJUNGDK-CYBMUJFWSA-N 1 1 334.424 0.890 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2ccc(C#N)nc2)C[C@H]1C ZINC000599729110 439546747 /nfs/dbraw/zinc/54/67/47/439546747.db2.gz VZSCBLQGKFRBFR-CYBMUJFWSA-N 1 1 330.388 0.592 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2ccc(C#N)nc2)C[C@H]1C ZINC000599729110 439546751 /nfs/dbraw/zinc/54/67/51/439546751.db2.gz VZSCBLQGKFRBFR-CYBMUJFWSA-N 1 1 330.388 0.592 20 30 ECEDMO CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000543757949 439564216 /nfs/dbraw/zinc/56/42/16/439564216.db2.gz XTDZLFMOEBKHDK-LLVKDONJSA-N 1 1 331.424 0.674 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000609680731 439585517 /nfs/dbraw/zinc/58/55/17/439585517.db2.gz BAINWGWCHNGJHR-SJLPKXTDSA-N 1 1 334.416 0.966 20 30 ECEDMO N#CCCn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000600064632 439606642 /nfs/dbraw/zinc/60/66/42/439606642.db2.gz TZPLRKMZQBFOHQ-CQSZACIVSA-N 1 1 344.419 0.868 20 30 ECEDMO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000610662025 439635391 /nfs/dbraw/zinc/63/53/91/439635391.db2.gz URPKZIXSBVPXFC-JKSUJKDBSA-N 1 1 342.509 0.824 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000585711478 439644467 /nfs/dbraw/zinc/64/44/67/439644467.db2.gz LPMHAOCUGQDOGM-MRXNPFEDSA-N 1 1 326.400 0.775 20 30 ECEDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 ZINC000595194539 439672395 /nfs/dbraw/zinc/67/23/95/439672395.db2.gz PBNSVEFEHOUDDH-ZDUSSCGKSA-N 1 1 332.408 0.644 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)nn1CCC#N ZINC000595089521 439653027 /nfs/dbraw/zinc/65/30/27/439653027.db2.gz JQPSQAXINYQVKA-CYBMUJFWSA-N 1 1 346.435 1.033 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1cccc(C#N)c1 ZINC000587699685 439669512 /nfs/dbraw/zinc/66/95/12/439669512.db2.gz AVWYPCNMWFHSEF-CZUORRHYSA-N 1 1 343.431 0.097 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522524 439703116 /nfs/dbraw/zinc/70/31/16/439703116.db2.gz GRHKKHFBXZKSKL-YOEHRIQHSA-N 1 1 337.468 0.135 20 30 ECEDMO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808750 439705645 /nfs/dbraw/zinc/70/56/45/439705645.db2.gz PCPGBGKBQSQGRT-BLLLJJGKSA-N 1 1 325.409 0.431 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)o1 ZINC000595384442 439719005 /nfs/dbraw/zinc/71/90/05/439719005.db2.gz LKDFUWFRZYBUQA-GFCCVEGCSA-N 1 1 325.390 0.371 20 30 ECEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CS(=O)(=O)C1 ZINC000601000816 439722005 /nfs/dbraw/zinc/72/20/05/439722005.db2.gz YTBBMCXBLDPXQF-UHFFFAOYSA-N 1 1 335.429 0.493 20 30 ECEDMO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600535524 439675163 /nfs/dbraw/zinc/67/51/63/439675163.db2.gz PCPGBGKBQSQGRT-MLGOLLRUSA-N 1 1 325.409 0.431 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000600739141 439697742 /nfs/dbraw/zinc/69/77/42/439697742.db2.gz PZBWSSPJPLMLSW-IAGOWNOFSA-N 1 1 333.432 0.734 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000613262437 439753907 /nfs/dbraw/zinc/75/39/07/439753907.db2.gz HULDECCWFXOGKK-AWEZNQCLSA-N 1 1 327.450 0.807 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000613262437 439753908 /nfs/dbraw/zinc/75/39/08/439753908.db2.gz HULDECCWFXOGKK-AWEZNQCLSA-N 1 1 327.450 0.807 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@](C)(C#N)C2)CC1 ZINC000595447397 439727700 /nfs/dbraw/zinc/72/77/00/439727700.db2.gz CKIYHLPEPYPEJC-KRWDZBQOSA-N 1 1 335.452 0.922 20 30 ECEDMO N#CC[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000595492577 439734439 /nfs/dbraw/zinc/73/44/39/439734439.db2.gz XCNQUHSNYVTPIC-GJZGRUSLSA-N 1 1 335.452 0.909 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000612659141 439734541 /nfs/dbraw/zinc/73/45/41/439734541.db2.gz PELRLWPTTNAOEN-JKSUJKDBSA-N 1 1 325.453 0.810 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@](F)(C#N)C2)CC1=O ZINC000615591830 439802909 /nfs/dbraw/zinc/80/29/09/439802909.db2.gz RIZGARMMDCCBSJ-JJRVBVJISA-N 1 1 336.411 0.783 20 30 ECEDMO N#C[C@]1(F)CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000615547120 439802458 /nfs/dbraw/zinc/80/24/58/439802458.db2.gz UZIFFHRFXRMLQZ-GOEBONIOSA-N 1 1 339.415 0.040 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNC(=O)NC2CCN(CC#N)CC2)CCCO1 ZINC000617913170 440029068 /nfs/dbraw/zinc/02/90/68/440029068.db2.gz ZNFVLBKGWQMMGZ-OAHLLOKOSA-N 1 1 337.468 0.774 20 30 ECEDMO C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000636677925 439988339 /nfs/dbraw/zinc/98/83/39/439988339.db2.gz NTANNXVQNWGDAZ-AWEZNQCLSA-N 1 1 325.453 0.932 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000619057006 440203013 /nfs/dbraw/zinc/20/30/13/440203013.db2.gz AVCKOEWQZHOQLN-MAUKXSAKSA-N 1 1 329.400 0.704 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000619057008 440203634 /nfs/dbraw/zinc/20/36/34/440203634.db2.gz AVCKOEWQZHOQLN-YJBOKZPZSA-N 1 1 329.400 0.704 20 30 ECEDMO C=CCCn1cc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000653570199 440207999 /nfs/dbraw/zinc/20/79/99/440207999.db2.gz DZCGWWVEBRJBEV-MRXNPFEDSA-N 1 1 332.452 0.593 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000649187681 440408965 /nfs/dbraw/zinc/40/89/65/440408965.db2.gz VFNHYMCCJUMLJU-GOSISDBHSA-N 1 1 329.444 0.938 20 30 ECEDMO C=CCn1cc(CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)nn1 ZINC000638363199 440521601 /nfs/dbraw/zinc/52/16/01/440521601.db2.gz PTJUBBCFPNCUAY-INIZCTEOSA-N 1 1 328.420 0.540 20 30 ECEDMO C=CCn1cc(CNC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)nn1 ZINC000638363199 440521607 /nfs/dbraw/zinc/52/16/07/440521607.db2.gz PTJUBBCFPNCUAY-INIZCTEOSA-N 1 1 328.420 0.540 20 30 ECEDMO C=C(C)[C@H](CO)[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000649822168 440550249 /nfs/dbraw/zinc/55/02/49/440550249.db2.gz AWQFQGZKRIQGCS-HNNXBMFYSA-N 1 1 327.450 0.639 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000645424107 440803949 /nfs/dbraw/zinc/80/39/49/440803949.db2.gz PVXZETHZDFEGMA-QZTJIDSGSA-N 1 1 345.443 0.827 20 30 ECEDMO C=CC[C@]1(C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)CCC[NH2+]1 ZINC000662401738 441028951 /nfs/dbraw/zinc/02/89/51/441028951.db2.gz QYLNIWYAVGZWES-MAUKXSAKSA-N 1 1 334.464 0.355 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C([O-])=[NH+]CCn2cncn2)CC1 ZINC000329124170 546014671 /nfs/dbraw/zinc/01/46/71/546014671.db2.gz SEBCPJHJKOMIBH-IYBDPMFKSA-N 1 1 349.483 0.683 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCn2cncn2)CC1 ZINC000329124170 546014672 /nfs/dbraw/zinc/01/46/72/546014672.db2.gz SEBCPJHJKOMIBH-IYBDPMFKSA-N 1 1 349.483 0.683 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCCn2cncn2)CC1 ZINC000329124170 546014675 /nfs/dbraw/zinc/01/46/75/546014675.db2.gz SEBCPJHJKOMIBH-IYBDPMFKSA-N 1 1 349.483 0.683 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C([O-])=[NH+]CCn2cncn2)C[C@H](C)O1 ZINC000329134334 546015157 /nfs/dbraw/zinc/01/51/57/546015157.db2.gz ZPTNAPRLFAMNML-ZNMIVQPWSA-N 1 1 336.440 0.766 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCCn2cncn2)C[C@H](C)O1 ZINC000329134334 546015170 /nfs/dbraw/zinc/01/51/70/546015170.db2.gz ZPTNAPRLFAMNML-ZNMIVQPWSA-N 1 1 336.440 0.766 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCCn2cncn2)C[C@H](C)O1 ZINC000329134334 546015174 /nfs/dbraw/zinc/01/51/74/546015174.db2.gz ZPTNAPRLFAMNML-ZNMIVQPWSA-N 1 1 336.440 0.766 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCc1cn2c(n1)CCCC2 ZINC000329346799 546021443 /nfs/dbraw/zinc/02/14/43/546021443.db2.gz DCBQFZURPGGIBI-HNNXBMFYSA-N 1 1 334.468 0.511 20 30 ECEDMO CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC000329396335 546022121 /nfs/dbraw/zinc/02/21/21/546022121.db2.gz XLTRLKRRHSLCEM-INIZCTEOSA-N 1 1 325.501 0.856 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccc(N2CCCC2)nc1 ZINC000329484070 546025285 /nfs/dbraw/zinc/02/52/85/546025285.db2.gz QHKKMGCRRBDSKA-MRXNPFEDSA-N 1 1 346.479 0.931 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000329505229 546026420 /nfs/dbraw/zinc/02/64/20/546026420.db2.gz ZIOOXKZJBXQLCS-CQSZACIVSA-N 1 1 339.484 0.337 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)ccn1 ZINC000619436758 546326764 /nfs/dbraw/zinc/32/67/64/546326764.db2.gz JGGRMRYHYUJWIV-OAHLLOKOSA-N 1 1 329.404 0.090 20 30 ECEDMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)n1cnc(C#N)n1 ZINC000619597069 546344959 /nfs/dbraw/zinc/34/49/59/546344959.db2.gz STWRMZJNVBNSLG-HZSPNIEDSA-N 1 1 332.408 0.470 20 30 ECEDMO C=C[C@H](O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000668451034 547660019 /nfs/dbraw/zinc/66/00/19/547660019.db2.gz LIYWZCCTQGLZJM-CVEARBPZSA-N 1 1 331.416 0.547 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000668529557 547678767 /nfs/dbraw/zinc/67/87/67/547678767.db2.gz MFHBNMMVSRPHHN-OAHLLOKOSA-N 1 1 338.452 0.126 20 30 ECEDMO CC[N@H+]1C[C@@H]2COC[C@]2(C(=O)NCc2ccc(C(=O)NO)cc2)C1 ZINC000671996383 548251732 /nfs/dbraw/zinc/25/17/32/548251732.db2.gz HIOOODGUUUIJPY-RHSMWYFYSA-N 1 1 333.388 0.390 20 30 ECEDMO CN1CCCC[C@@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000681340095 549250128 /nfs/dbraw/zinc/25/01/28/549250128.db2.gz XYGNEIKMIUWCLG-IYBDPMFKSA-N 1 1 334.464 0.191 20 30 ECEDMO CN1CCCC[C@@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000681340095 549250133 /nfs/dbraw/zinc/25/01/33/549250133.db2.gz XYGNEIKMIUWCLG-IYBDPMFKSA-N 1 1 334.464 0.191 20 30 ECEDMO CN1CCCC[C@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000681340095 549250137 /nfs/dbraw/zinc/25/01/37/549250137.db2.gz XYGNEIKMIUWCLG-IYBDPMFKSA-N 1 1 334.464 0.191 20 30 ECEDMO CN1CCCC[C@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000681340095 549250141 /nfs/dbraw/zinc/25/01/41/549250141.db2.gz XYGNEIKMIUWCLG-IYBDPMFKSA-N 1 1 334.464 0.191 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC001041777125 782181464 /nfs/dbraw/zinc/18/14/64/782181464.db2.gz IFIDQQKERTXTJF-PBHICJAKSA-N 1 1 329.404 0.411 20 30 ECEDMO CC(C[C@H]1CCOC1)=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000751521931 579370776 /nfs/dbraw/zinc/37/07/76/579370776.db2.gz NNJJIAMUOOACNF-CQSZACIVSA-N 1 1 328.482 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000755596979 579435893 /nfs/dbraw/zinc/43/58/93/579435893.db2.gz VKMRYOYQIMPKEM-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000755596979 579435894 /nfs/dbraw/zinc/43/58/94/579435894.db2.gz VKMRYOYQIMPKEM-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C[NH+]1CCN(c2ncc(C=Nn3c(=S)[nH][nH]c3=S)cn2)CC1 ZINC000755609393 579436028 /nfs/dbraw/zinc/43/60/28/579436028.db2.gz VPCIGJROUGGGKI-UHFFFAOYSA-N 1 1 336.450 0.280 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCNC(=O)C2)c(OC)c1 ZINC000726790527 578147612 /nfs/dbraw/zinc/14/76/12/578147612.db2.gz WQMKJDVQIZXKKV-OAHLLOKOSA-N 1 1 334.416 0.985 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCNC(=O)C2)c(OC)c1 ZINC000726790527 578147613 /nfs/dbraw/zinc/14/76/13/578147613.db2.gz WQMKJDVQIZXKKV-OAHLLOKOSA-N 1 1 334.416 0.985 20 30 ECEDMO C#CCNC(=O)C1CCN(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000727931129 578286284 /nfs/dbraw/zinc/28/62/84/578286284.db2.gz JAYKEHLAUCSRGO-IBGZPJMESA-N 1 1 343.471 0.941 20 30 ECEDMO C#CCNC(=O)C1CCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000727931129 578286285 /nfs/dbraw/zinc/28/62/85/578286285.db2.gz JAYKEHLAUCSRGO-IBGZPJMESA-N 1 1 343.471 0.941 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)[C@@H]1CCCO1 ZINC000793902705 578565524 /nfs/dbraw/zinc/56/55/24/578565524.db2.gz RYIGUPIKIFHZJZ-FZKCQIBNSA-N 1 1 335.448 0.520 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@H]1CCCO1 ZINC000793914862 578566338 /nfs/dbraw/zinc/56/63/38/578566338.db2.gz VQWSRQYDBOSBQJ-HRCADAONSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CCC[NH+]1CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794450926 578589087 /nfs/dbraw/zinc/58/90/87/578589087.db2.gz SPVUPYJERDSCJB-OAHLLOKOSA-N 1 1 325.453 0.903 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)C1=O ZINC000794528243 578592274 /nfs/dbraw/zinc/59/22/74/578592274.db2.gz DBZHJWOCGCIOPV-KGLIPLIRSA-N 1 1 341.452 0.981 20 30 ECEDMO Cc1[nH+]ccn1CCOC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000795326882 578608182 /nfs/dbraw/zinc/60/81/82/578608182.db2.gz GECXBCTTZKPTSX-UHFFFAOYSA-N 1 1 348.384 0.585 20 30 ECEDMO N#CC1(NC(=O)C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)CCC1 ZINC000799173917 578660582 /nfs/dbraw/zinc/66/05/82/578660582.db2.gz HPBHPTNFBZSSHD-UHFFFAOYSA-N 1 1 346.353 0.939 20 30 ECEDMO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCC2)cn1 ZINC000784347150 578750859 /nfs/dbraw/zinc/75/08/59/578750859.db2.gz QFAWZEBTGPMQTP-HUUCEWRRSA-N 1 1 331.420 0.870 20 30 ECEDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)cn1 ZINC000784347150 578750860 /nfs/dbraw/zinc/75/08/60/578750860.db2.gz QFAWZEBTGPMQTP-HUUCEWRRSA-N 1 1 331.420 0.870 20 30 ECEDMO C=CCNC(=O)COC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000785639976 578771807 /nfs/dbraw/zinc/77/18/07/578771807.db2.gz DRSLGENUEPYVTB-KGLIPLIRSA-N 1 1 337.420 0.165 20 30 ECEDMO CC[N@@H+](CCNC(=O)C(=O)NCCNc1ncccc1C#N)C1CC1 ZINC000787788446 578817376 /nfs/dbraw/zinc/81/73/76/578817376.db2.gz YKGZQVLUFGOWAB-UHFFFAOYSA-N 1 1 344.419 0.082 20 30 ECEDMO COC(=O)CCN1CCC(=NNC(=S)NCCC[NH+](C)C)CC1 ZINC000788715631 578843211 /nfs/dbraw/zinc/84/32/11/578843211.db2.gz NIEFMSVAISKJKD-UHFFFAOYSA-N 1 1 343.497 0.417 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000771214106 579186594 /nfs/dbraw/zinc/18/65/94/579186594.db2.gz BSYXNMYLCPMNBQ-OLZOCXBDSA-N 1 1 346.362 0.615 20 30 ECEDMO C#C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCCO1 ZINC000773276080 579223780 /nfs/dbraw/zinc/22/37/80/579223780.db2.gz ITKFAXJHNQYBGE-SOUVJXGZSA-N 1 1 336.436 0.054 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1ccccc1SCC(N)=O)[C@H]1CCCO1 ZINC000775789812 579271193 /nfs/dbraw/zinc/27/11/93/579271193.db2.gz DHKNFZILUNOJDR-GXTWGEPZSA-N 1 1 347.440 0.973 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1cccc(OCC#N)c1 ZINC000761122695 579522344 /nfs/dbraw/zinc/52/23/44/579522344.db2.gz ZOTXJZPUMINQMS-UHFFFAOYSA-N 1 1 344.415 0.364 20 30 ECEDMO C#CCNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000743315558 579796482 /nfs/dbraw/zinc/79/64/82/579796482.db2.gz XCMFSHRTYOCKMH-UHFFFAOYSA-N 1 1 330.388 0.838 20 30 ECEDMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccsc1 ZINC000746354247 579836679 /nfs/dbraw/zinc/83/66/79/579836679.db2.gz QEKOHSJTUPNCKU-CYBMUJFWSA-N 1 1 346.416 0.826 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000746353249 579836707 /nfs/dbraw/zinc/83/67/07/579836707.db2.gz AJCBLFQZRODSET-CHWSQXEVSA-N 1 1 332.408 0.582 20 30 ECEDMO CN(C(=O)C#CC1CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000837400211 588950778 /nfs/dbraw/zinc/95/07/78/588950778.db2.gz PAGJNHUXXIUWDL-UHFFFAOYSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(Cc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000842235177 589023600 /nfs/dbraw/zinc/02/36/00/589023600.db2.gz FGXBEUIKPUPODT-INIZCTEOSA-N 1 1 327.384 0.963 20 30 ECEDMO C#CC[C@H]1NC(=O)N([C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1=O ZINC000842245464 589024258 /nfs/dbraw/zinc/02/42/58/589024258.db2.gz WRFAIMZOUXVZJM-LSDHHAIUSA-N 1 1 341.415 0.536 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)CC1 ZINC000895883661 586210692 /nfs/dbraw/zinc/21/06/92/586210692.db2.gz DELREZMJYPMSCC-HZPDHXFCSA-N 1 1 336.432 0.855 20 30 ECEDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC#C[C@@H]1CCCCO1 ZINC000895968639 586215296 /nfs/dbraw/zinc/21/52/96/586215296.db2.gz PRKXNHXWEBMQPD-GJZGRUSLSA-N 1 1 336.436 0.198 20 30 ECEDMO C#CC1(O)CN(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000895976007 586215315 /nfs/dbraw/zinc/21/53/15/586215315.db2.gz BECHEPOCDQDYRS-HNNXBMFYSA-N 1 1 329.400 0.659 20 30 ECEDMO C#CC1(O)CN(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000895976007 586215317 /nfs/dbraw/zinc/21/53/17/586215317.db2.gz BECHEPOCDQDYRS-HNNXBMFYSA-N 1 1 329.400 0.659 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC1 ZINC000896234285 586228964 /nfs/dbraw/zinc/22/89/64/586228964.db2.gz IZJHXZAQYNKOFY-UHFFFAOYSA-N 1 1 330.392 0.012 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)CC1 ZINC000896227798 586229163 /nfs/dbraw/zinc/22/91/63/586229163.db2.gz ZWSQPDAGFFHSQM-UHFFFAOYSA-N 1 1 345.447 0.582 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)o3)CC2)CC1 ZINC000896229862 586229248 /nfs/dbraw/zinc/22/92/48/586229248.db2.gz JVXJYNAMNMFDGL-UHFFFAOYSA-N 1 1 331.376 0.276 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)C1 ZINC000896489010 586243856 /nfs/dbraw/zinc/24/38/56/586243856.db2.gz LDLHVXFJSJAPLX-YESZJQIVSA-N 1 1 335.448 0.921 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)C1 ZINC000896489010 586243857 /nfs/dbraw/zinc/24/38/57/586243857.db2.gz LDLHVXFJSJAPLX-YESZJQIVSA-N 1 1 335.448 0.921 20 30 ECEDMO Cc1cc(N(C)CC(=O)N2CC[NH+](C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000894958792 586420974 /nfs/dbraw/zinc/42/09/74/586420974.db2.gz RGPZIZXNPJRZNJ-UHFFFAOYSA-N 1 1 331.376 0.985 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000900486400 586635681 /nfs/dbraw/zinc/63/56/81/586635681.db2.gz VHWSCZHXTWWNGS-CRAIPNDOSA-N 1 1 328.416 0.662 20 30 ECEDMO N#Cc1c2c(cn(CN3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)c1=O)CCC2 ZINC000902643064 586749407 /nfs/dbraw/zinc/74/94/07/586749407.db2.gz KFJBLYGBEFKVPB-MSOLQXFVSA-N 1 1 342.443 0.697 20 30 ECEDMO COC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000903602411 586795813 /nfs/dbraw/zinc/79/58/13/586795813.db2.gz SHFGAHWRZRXXDR-LLVKDONJSA-N 1 1 329.809 0.821 20 30 ECEDMO COC[C@@H]1C[NH2+]CCN1S(=O)(=O)Cc1c(C)cc(C#N)cc1C ZINC000903598020 586797252 /nfs/dbraw/zinc/79/72/52/586797252.db2.gz HCNMQNIPRHSVAP-HNNXBMFYSA-N 1 1 337.445 0.925 20 30 ECEDMO COC(=O)[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC[N@@H+](C)C1 ZINC000843414233 589066392 /nfs/dbraw/zinc/06/63/92/589066392.db2.gz XRJLXGVOCHEGDE-CQSZACIVSA-N 1 1 328.376 0.138 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@@H](O)C[C@]3(O)CCOC3)CC2)c(F)c1 ZINC000905926795 586923141 /nfs/dbraw/zinc/92/31/41/586923141.db2.gz ITZIZNKDSGOTLF-MAUKXSAKSA-N 1 1 349.406 0.722 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000906649562 586961819 /nfs/dbraw/zinc/96/18/19/586961819.db2.gz GBGKHVTZHRAGSD-BVFVFODLSA-N 1 1 334.420 0.751 20 30 ECEDMO C#CC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000843706768 589077732 /nfs/dbraw/zinc/07/77/32/589077732.db2.gz FOTWTXPHPFGNCO-KRWDZBQOSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000906713604 586969993 /nfs/dbraw/zinc/96/99/93/586969993.db2.gz BFBQEBYKBFKGDU-IKGGRYGDSA-N 1 1 337.464 0.490 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cn2nnnc2-c2ccsc2)CC1 ZINC000843780768 589079160 /nfs/dbraw/zinc/07/91/60/589079160.db2.gz JYLINWPMEKIJJV-UHFFFAOYSA-N 1 1 330.417 0.569 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCNc2ccc(C#N)cn2)[C@H](C)C1 ZINC000806412027 587095531 /nfs/dbraw/zinc/09/55/31/587095531.db2.gz JBOYFPDDVUFUPI-ZIAGYGMSSA-N 1 1 346.435 0.462 20 30 ECEDMO C#CCCS(=O)(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000808285221 587152088 /nfs/dbraw/zinc/15/20/88/587152088.db2.gz ZKTAMAYRMYYXSO-AWEZNQCLSA-N 1 1 341.502 0.979 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@H]1CCCO1 ZINC000809313676 587175291 /nfs/dbraw/zinc/17/52/91/587175291.db2.gz UQGTWPPKZQAJSZ-HUUCEWRRSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000844096579 589093524 /nfs/dbraw/zinc/09/35/24/589093524.db2.gz HRSIMCTWDUNICF-FZMZJTMJSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000844096579 589093526 /nfs/dbraw/zinc/09/35/26/589093526.db2.gz HRSIMCTWDUNICF-FZMZJTMJSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000815704448 587296396 /nfs/dbraw/zinc/29/63/96/587296396.db2.gz HKQLXVNRTLFEGG-WFASDCNBSA-N 1 1 345.374 0.939 20 30 ECEDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000815704062 587296469 /nfs/dbraw/zinc/29/64/69/587296469.db2.gz URQSJMSKFLVSMW-FZMZJTMJSA-N 1 1 346.362 0.829 20 30 ECEDMO C[N@@H+](C[C@H](O)CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1CC1 ZINC000819230602 587473141 /nfs/dbraw/zinc/47/31/41/587473141.db2.gz XBUSHQVLZYXTJI-YUELXQCFSA-N 1 1 338.452 0.790 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cn1cnc(-c2ccccc2)cc1=O ZINC000820681270 587549557 /nfs/dbraw/zinc/54/95/57/587549557.db2.gz SRHFIQVGIOTNIW-UHFFFAOYSA-N 1 1 338.411 0.982 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(S(=O)(=O)CC)c[nH]c1=O ZINC000820688331 587550154 /nfs/dbraw/zinc/55/01/54/587550154.db2.gz OWQVOJJYYJLBHU-UHFFFAOYSA-N 1 1 339.417 0.266 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)CC)c[nH]c1=O ZINC000820688331 587550156 /nfs/dbraw/zinc/55/01/56/587550156.db2.gz OWQVOJJYYJLBHU-UHFFFAOYSA-N 1 1 339.417 0.266 20 30 ECEDMO N#Cc1ccc(CN2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2=O)cc1 ZINC000822406006 587657996 /nfs/dbraw/zinc/65/79/96/587657996.db2.gz ACGBFVZOSJIONL-MRXNPFEDSA-N 1 1 326.400 0.871 20 30 ECEDMO C#C[C@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)C1CCOCC1 ZINC000823164055 587707016 /nfs/dbraw/zinc/70/70/16/587707016.db2.gz RDDAAJAEMVPJEC-KRWDZBQOSA-N 1 1 338.496 0.940 20 30 ECEDMO C#C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C1CCOCC1 ZINC000823164055 587707017 /nfs/dbraw/zinc/70/70/17/587707017.db2.gz RDDAAJAEMVPJEC-KRWDZBQOSA-N 1 1 338.496 0.940 20 30 ECEDMO C#C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C1CCOCC1 ZINC000823167759 587707183 /nfs/dbraw/zinc/70/71/83/587707183.db2.gz HHYFBJLHSMQGCZ-GOEBONIOSA-N 1 1 337.464 0.901 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000829514269 588328138 /nfs/dbraw/zinc/32/81/38/588328138.db2.gz UCNRJXRUDZDLFS-MRXNPFEDSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)C1 ZINC000829581571 588330743 /nfs/dbraw/zinc/33/07/43/588330743.db2.gz AJNDXYBYQHMSFY-BBRMVZONSA-N 1 1 329.404 0.435 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)C1 ZINC000829581571 588330744 /nfs/dbraw/zinc/33/07/44/588330744.db2.gz AJNDXYBYQHMSFY-BBRMVZONSA-N 1 1 329.404 0.435 20 30 ECEDMO C#CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)OC)C2)C1=O ZINC000844272565 589105880 /nfs/dbraw/zinc/10/58/80/589105880.db2.gz KRAQRDBTRIMQLI-ARFHVFGLSA-N 1 1 340.379 0.636 20 30 ECEDMO O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000848138425 589279873 /nfs/dbraw/zinc/27/98/73/589279873.db2.gz MQWHCKPDQVWLQN-GJZGRUSLSA-N 1 1 332.404 0.790 20 30 ECEDMO COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C[C@@H]1C ZINC000850683348 589379280 /nfs/dbraw/zinc/37/92/80/589379280.db2.gz SIBXVTKVYABYID-VBQJREDUSA-N 1 1 336.436 0.316 20 30 ECEDMO COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C[C@@H]1C ZINC000850683348 589379281 /nfs/dbraw/zinc/37/92/81/589379281.db2.gz SIBXVTKVYABYID-VBQJREDUSA-N 1 1 336.436 0.316 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851870516 589430130 /nfs/dbraw/zinc/43/01/30/589430130.db2.gz GUVRMYYSHBQGDW-QGZVFWFLSA-N 1 1 342.403 0.101 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCc2c(cccc2C(N)=O)C1 ZINC000852359632 589492377 /nfs/dbraw/zinc/49/23/77/589492377.db2.gz KWUABOASAMFSDP-UHFFFAOYSA-N 1 1 328.416 0.808 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1COC2(CCC2)C1 ZINC000853268198 589539242 /nfs/dbraw/zinc/53/92/42/589539242.db2.gz SWBCQYBPEJZXBX-UHFFFAOYSA-N 1 1 326.466 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000855632771 589639109 /nfs/dbraw/zinc/63/91/09/589639109.db2.gz QOWVTVYLFKQWLJ-ZRGWGRIASA-N 1 1 348.443 0.901 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000855632771 589639111 /nfs/dbraw/zinc/63/91/11/589639111.db2.gz QOWVTVYLFKQWLJ-ZRGWGRIASA-N 1 1 348.443 0.901 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000856254768 589658259 /nfs/dbraw/zinc/65/82/59/589658259.db2.gz ZEMFLGZZIPCJBF-SJORKVTESA-N 1 1 329.400 0.649 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000856328332 589660657 /nfs/dbraw/zinc/66/06/57/589660657.db2.gz LVGSPQGBUIWKNQ-WMZOPIPTSA-N 1 1 329.444 0.957 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000856328332 589660659 /nfs/dbraw/zinc/66/06/59/589660659.db2.gz LVGSPQGBUIWKNQ-WMZOPIPTSA-N 1 1 329.444 0.957 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000859002881 589791912 /nfs/dbraw/zinc/79/19/12/589791912.db2.gz ACOJVJGUMMXPBC-UHFFFAOYSA-N 1 1 327.384 0.823 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000859020906 589793369 /nfs/dbraw/zinc/79/33/69/589793369.db2.gz VLBMAUFNIFWMNE-HUUCEWRRSA-N 1 1 325.453 0.901 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000859034519 589794502 /nfs/dbraw/zinc/79/45/02/589794502.db2.gz PILLUEMHPBGVLD-ZIAGYGMSSA-N 1 1 325.409 0.304 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000859034519 589794503 /nfs/dbraw/zinc/79/45/03/589794503.db2.gz PILLUEMHPBGVLD-ZIAGYGMSSA-N 1 1 325.409 0.304 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000859323437 589821726 /nfs/dbraw/zinc/82/17/26/589821726.db2.gz DCIDFTWZRIUIRZ-KRWDZBQOSA-N 1 1 334.322 0.988 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000859323437 589821730 /nfs/dbraw/zinc/82/17/30/589821730.db2.gz DCIDFTWZRIUIRZ-KRWDZBQOSA-N 1 1 334.322 0.988 20 30 ECEDMO CN(CC[NH+]1CC2(C1)CCOCC2)S(=O)(=O)CC1(C#N)CC1 ZINC000867859283 589854611 /nfs/dbraw/zinc/85/46/11/589854611.db2.gz JRSAIEGEKKXGLQ-UHFFFAOYSA-N 1 1 327.450 0.664 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@]1(C(=O)OCC)CCCOC1 ZINC000868652460 589919511 /nfs/dbraw/zinc/91/95/11/589919511.db2.gz GETLXSSGMMOYON-QGZVFWFLSA-N 1 1 339.436 0.601 20 30 ECEDMO Fc1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)ccn1 ZINC000863068463 589989344 /nfs/dbraw/zinc/98/93/44/589989344.db2.gz DKQMNUFPEIBURK-UHFFFAOYSA-N 1 1 325.413 0.741 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000870095903 590000228 /nfs/dbraw/zinc/00/02/28/590000228.db2.gz FOWXKSFRCFUSPS-UHFFFAOYSA-N 1 1 327.432 0.454 20 30 ECEDMO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000871051502 590047289 /nfs/dbraw/zinc/04/72/89/590047289.db2.gz WNXUKAPKJSTKAY-TZMCWYRMSA-N 1 1 328.424 0.790 20 30 ECEDMO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(C#N)c1 ZINC000872493385 590121245 /nfs/dbraw/zinc/12/12/45/590121245.db2.gz SPEYKGBOOPSDCG-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c(C#N)c1 ZINC000872493385 590121246 /nfs/dbraw/zinc/12/12/46/590121246.db2.gz SPEYKGBOOPSDCG-HNNXBMFYSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872617478 590133848 /nfs/dbraw/zinc/13/38/48/590133848.db2.gz LFURQZLCEIIJBB-LSDHHAIUSA-N 1 1 335.429 0.696 20 30 ECEDMO N#Cc1ccccc1CN1C(=O)CN(C[N@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000872785289 590147570 /nfs/dbraw/zinc/14/75/70/590147570.db2.gz OGXBXQNRWFNJRU-IYBDPMFKSA-N 1 1 340.383 0.858 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)n(CCC#N)n1 ZINC000874365483 590234940 /nfs/dbraw/zinc/23/49/40/590234940.db2.gz CMTLBLYULDHLSH-ZIAGYGMSSA-N 1 1 344.419 0.739 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000875059660 590266290 /nfs/dbraw/zinc/26/62/90/590266290.db2.gz YIOANQKFDVFRAH-ZIAGYGMSSA-N 1 1 337.445 0.622 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000875374443 590297211 /nfs/dbraw/zinc/29/72/11/590297211.db2.gz JPNGTJZCIKKGAG-ZBFHGGJFSA-N 1 1 335.448 0.664 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875385626 590298178 /nfs/dbraw/zinc/29/81/78/590298178.db2.gz DAUKZZOGQNPJEH-UGUYLWEFSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000875445010 590302652 /nfs/dbraw/zinc/30/26/52/590302652.db2.gz QQASKCOGFVXUJS-PMPSAXMXSA-N 1 1 335.448 0.664 20 30 ECEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)c1ccccc1 ZINC000879537141 590321944 /nfs/dbraw/zinc/32/19/44/590321944.db2.gz STIOTVOIFWACCL-FCEWJHQRSA-N 1 1 339.395 0.974 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000875747266 590328456 /nfs/dbraw/zinc/32/84/56/590328456.db2.gz OYHMYQPKVOXHTD-BZUAXINKSA-N 1 1 335.448 0.967 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](O)CC(C)(C)C2)CC1 ZINC000879623096 590330084 /nfs/dbraw/zinc/33/00/84/590330084.db2.gz RNIJJUJGYFBWHZ-HOTGVXAUSA-N 1 1 336.480 0.772 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000880480093 590395318 /nfs/dbraw/zinc/39/53/18/590395318.db2.gz JPURPYIBUZBELL-MRXNPFEDSA-N 1 1 328.412 0.957 20 30 ECEDMO CC1(C)CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCS1(=O)=O ZINC000876688190 590398228 /nfs/dbraw/zinc/39/82/28/590398228.db2.gz WJALOKLCOOCAJL-OAHLLOKOSA-N 1 1 347.440 0.781 20 30 ECEDMO C[NH+](C)C1(CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CCOCC1 ZINC000876762514 590411725 /nfs/dbraw/zinc/41/17/25/590411725.db2.gz HXHARJZMQNWWPL-KRWDZBQOSA-N 1 1 342.443 0.972 20 30 ECEDMO N#Cc1ccc([C@@H](O)Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)cc1 ZINC000881407607 590452862 /nfs/dbraw/zinc/45/28/62/590452862.db2.gz QYTZWMMCZQFWPZ-IRXDYDNUSA-N 1 1 327.388 0.840 20 30 ECEDMO N#Cc1ccc([C@@H](O)Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)cc1 ZINC000881407607 590452864 /nfs/dbraw/zinc/45/28/64/590452864.db2.gz QYTZWMMCZQFWPZ-IRXDYDNUSA-N 1 1 327.388 0.840 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879050616 590560359 /nfs/dbraw/zinc/56/03/59/590560359.db2.gz PKVBYJBHGSKYJY-PVXIVEMSSA-N 1 1 326.416 0.965 20 30 ECEDMO CNC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000879338178 590580522 /nfs/dbraw/zinc/58/05/22/590580522.db2.gz NQUYBWGGKSYODA-HUUCEWRRSA-N 1 1 338.452 0.841 20 30 ECEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000879354774 590581719 /nfs/dbraw/zinc/58/17/19/590581719.db2.gz NXYXRFGHSKQNJE-QGZVFWFLSA-N 1 1 344.415 0.478 20 30 ECEDMO C=C[C@H](CO)[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000883180794 590608504 /nfs/dbraw/zinc/60/85/04/590608504.db2.gz LDOXLYGAXRTKAW-MNOVXSKESA-N 1 1 333.841 0.841 20 30 ECEDMO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000883647875 590642308 /nfs/dbraw/zinc/64/23/08/590642308.db2.gz HJVASXKTCGHTCB-BBRMVZONSA-N 1 1 344.415 0.786 20 30 ECEDMO C=C[C@@H](C)ONC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883764126 590662933 /nfs/dbraw/zinc/66/29/33/590662933.db2.gz QNCBMFNPWRREJW-CABCVRRESA-N 1 1 326.441 0.588 20 30 ECEDMO C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CCN(S(C)(=O)=O)CC1 ZINC000886038763 590788259 /nfs/dbraw/zinc/78/82/59/590788259.db2.gz AALVFQHXUXCRQY-AWEZNQCLSA-N 1 1 329.466 0.787 20 30 ECEDMO CC[C@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[NH+](CC)CC ZINC000886205126 590812788 /nfs/dbraw/zinc/81/27/88/590812788.db2.gz AEQLSQLOBQRYMZ-UMVBOHGHSA-N 1 1 327.450 0.504 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000886359972 590835006 /nfs/dbraw/zinc/83/50/06/590835006.db2.gz MQXKOWPEQOSYQA-ZDUSSCGKSA-N 1 1 347.440 0.568 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC000887739492 590995312 /nfs/dbraw/zinc/99/53/12/590995312.db2.gz WEPDTPAMPKFJLA-GOSISDBHSA-N 1 1 342.443 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nnc(C3CCOCC3)[nH]2)C1 ZINC000889470596 591057307 /nfs/dbraw/zinc/05/73/07/591057307.db2.gz RLWDAXUGRIVDLN-CQSZACIVSA-N 1 1 346.435 0.596 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nnc(C3CCOCC3)[nH]2)C1 ZINC000889470596 591057310 /nfs/dbraw/zinc/05/73/10/591057310.db2.gz RLWDAXUGRIVDLN-CQSZACIVSA-N 1 1 346.435 0.596 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889765372 591088307 /nfs/dbraw/zinc/08/83/07/591088307.db2.gz XYYCXMXTZRRDAP-CVEARBPZSA-N 1 1 342.395 0.824 20 30 ECEDMO N#CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000889805222 591098375 /nfs/dbraw/zinc/09/83/75/591098375.db2.gz BBNYXWFCJXIJNW-ZIAGYGMSSA-N 1 1 327.388 0.829 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)NC)C1 ZINC000890361349 591150480 /nfs/dbraw/zinc/15/04/80/591150480.db2.gz OSJYSWHIZRNXMP-HUUCEWRRSA-N 1 1 335.452 0.577 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)NC)C1 ZINC000890361349 591150482 /nfs/dbraw/zinc/15/04/82/591150482.db2.gz OSJYSWHIZRNXMP-HUUCEWRRSA-N 1 1 335.452 0.577 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](CC(N)=O)c2ccccc2)C1 ZINC000890364246 591151874 /nfs/dbraw/zinc/15/18/74/591151874.db2.gz YGIYTYCKIMQZSU-HZPDHXFCSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](CC(N)=O)c2ccccc2)C1 ZINC000890364246 591151875 /nfs/dbraw/zinc/15/18/75/591151875.db2.gz YGIYTYCKIMQZSU-HZPDHXFCSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccnc(C)n3)CC2)C1 ZINC000890367840 591152852 /nfs/dbraw/zinc/15/28/52/591152852.db2.gz VSIMSIPDARIZNL-MRXNPFEDSA-N 1 1 342.447 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccnc(C)n3)CC2)C1 ZINC000890367840 591152854 /nfs/dbraw/zinc/15/28/54/591152854.db2.gz VSIMSIPDARIZNL-MRXNPFEDSA-N 1 1 342.447 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)C1 ZINC000890368170 591153479 /nfs/dbraw/zinc/15/34/79/591153479.db2.gz DOEPPCLRWGRUBL-HRCADAONSA-N 1 1 332.448 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)C1 ZINC000890368170 591153481 /nfs/dbraw/zinc/15/34/81/591153481.db2.gz DOEPPCLRWGRUBL-HRCADAONSA-N 1 1 332.448 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCOC[C@H]2c2noc(C)n2)C1 ZINC000890367292 591153513 /nfs/dbraw/zinc/15/35/13/591153513.db2.gz LJLDVJWKNRDDKS-KBPBESRZSA-N 1 1 333.392 0.559 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@H]2c2noc(C)n2)C1 ZINC000890367292 591153516 /nfs/dbraw/zinc/15/35/16/591153516.db2.gz LJLDVJWKNRDDKS-KBPBESRZSA-N 1 1 333.392 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(c3ccnc(C)n3)CC2)C1 ZINC000890367839 591153606 /nfs/dbraw/zinc/15/36/06/591153606.db2.gz VSIMSIPDARIZNL-INIZCTEOSA-N 1 1 342.447 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3ccnc(C)n3)CC2)C1 ZINC000890367839 591153608 /nfs/dbraw/zinc/15/36/08/591153608.db2.gz VSIMSIPDARIZNL-INIZCTEOSA-N 1 1 342.447 0.714 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(CC#N)n3)CC[C@@H]21 ZINC000890431054 591158257 /nfs/dbraw/zinc/15/82/57/591158257.db2.gz ZDPFESLLPQMACT-OCCSQVGLSA-N 1 1 327.388 0.639 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000922631825 611356839 /nfs/dbraw/zinc/35/68/39/611356839.db2.gz XFBVRYMUBRZOIY-AGUYFDCRSA-N 1 1 327.450 0.349 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)CC[C@@H]2C1 ZINC000946610524 611363452 /nfs/dbraw/zinc/36/34/52/611363452.db2.gz YBJMMORHEKZPEO-IXDOHACOSA-N 1 1 347.459 0.285 20 30 ECEDMO C[NH+]=C(NCCN(C)C(C)C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000073777335 611367508 /nfs/dbraw/zinc/36/75/08/611367508.db2.gz GFYWAUFFHKHUEM-OAHLLOKOSA-N 1 1 339.484 0.225 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C)[C@H]1CCCO1 ZINC000930468346 611430461 /nfs/dbraw/zinc/43/04/61/611430461.db2.gz YXSLAIGBFDVFRP-HRCADAONSA-N 1 1 335.448 0.472 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C)[C@H]1CCCO1 ZINC000930468346 611430462 /nfs/dbraw/zinc/43/04/62/611430462.db2.gz YXSLAIGBFDVFRP-HRCADAONSA-N 1 1 335.448 0.472 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)NCCNc1cccc(C)[nH+]1)[C@@H]1CCCO1 ZINC000930469025 611431082 /nfs/dbraw/zinc/43/10/82/611431082.db2.gz CZAZQZCQZDSHEE-KGLIPLIRSA-N 1 1 330.388 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(C)n(CC(=O)NC)n2)C1 ZINC000930631791 611448874 /nfs/dbraw/zinc/44/88/74/611448874.db2.gz SULXTEDVGHBYAY-ZDUSSCGKSA-N 1 1 332.408 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C)n(CC(=O)NC)n2)C1 ZINC000930631791 611448877 /nfs/dbraw/zinc/44/88/77/611448877.db2.gz SULXTEDVGHBYAY-ZDUSSCGKSA-N 1 1 332.408 0.157 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)CC1 ZINC000925173802 611458919 /nfs/dbraw/zinc/45/89/19/611458919.db2.gz ZIHNKJCZFGBZQM-HZPDHXFCSA-N 1 1 336.505 0.963 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000931142567 611510874 /nfs/dbraw/zinc/51/08/74/611510874.db2.gz KZMYLCIQZUBCBB-AWEZNQCLSA-N 1 1 330.384 0.403 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCNC(=O)CC2(C)C)CC1 ZINC000931207139 611519093 /nfs/dbraw/zinc/51/90/93/611519093.db2.gz RXJYVNZNYXKHFV-HNNXBMFYSA-N 1 1 349.479 0.279 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCNC(=O)CC2(C)C)CC1 ZINC000931207139 611519097 /nfs/dbraw/zinc/51/90/97/611519097.db2.gz RXJYVNZNYXKHFV-HNNXBMFYSA-N 1 1 349.479 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000926146060 611519501 /nfs/dbraw/zinc/51/95/01/611519501.db2.gz JBPYEXBJRQNCGJ-JJAZEVLHSA-N 1 1 333.436 0.674 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000931291018 611529016 /nfs/dbraw/zinc/52/90/16/611529016.db2.gz LJXMAQAXKMMQIC-CQSZACIVSA-N 1 1 338.452 0.573 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000931406900 611537997 /nfs/dbraw/zinc/53/79/97/611537997.db2.gz SGCFLVBBECVSMD-BNQMIIOLSA-N 1 1 336.480 0.914 20 30 ECEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931406900 611538001 /nfs/dbraw/zinc/53/80/01/611538001.db2.gz SGCFLVBBECVSMD-BNQMIIOLSA-N 1 1 336.480 0.914 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C[C@@H]1C ZINC000947478821 611553258 /nfs/dbraw/zinc/55/32/58/611553258.db2.gz HWMIVEBXDGBFEK-QWHCGFSZSA-N 1 1 328.376 0.535 20 30 ECEDMO C#CC[C@H]1CC[N@@H+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC000931714289 611566282 /nfs/dbraw/zinc/56/62/82/611566282.db2.gz DNXPKXNNVJSZIU-LBPRGKRZSA-N 1 1 333.354 0.811 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC000931714289 611566283 /nfs/dbraw/zinc/56/62/83/611566283.db2.gz DNXPKXNNVJSZIU-LBPRGKRZSA-N 1 1 333.354 0.811 20 30 ECEDMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000931883188 611580880 /nfs/dbraw/zinc/58/08/80/611580880.db2.gz DONRJXYBRVLXMX-CQSZACIVSA-N 1 1 341.415 0.286 20 30 ECEDMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000931883188 611580882 /nfs/dbraw/zinc/58/08/82/611580882.db2.gz DONRJXYBRVLXMX-CQSZACIVSA-N 1 1 341.415 0.286 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000932044169 611595251 /nfs/dbraw/zinc/59/52/51/611595251.db2.gz DMBBDXRLUVUUJV-CQSZACIVSA-N 1 1 341.411 0.781 20 30 ECEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000948459396 611606195 /nfs/dbraw/zinc/60/61/95/611606195.db2.gz DIIQOVGKBIZBNV-ZNEHSRBWSA-N 1 1 343.431 0.803 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC000949348661 608647980 /nfs/dbraw/zinc/64/79/80/608647980.db2.gz IQIVYGCGBIJGIX-AWEZNQCLSA-N 1 1 337.420 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000948554682 611652034 /nfs/dbraw/zinc/65/20/34/611652034.db2.gz ZILMAXQNVYKLQB-ZDUSSCGKSA-N 1 1 339.417 0.487 20 30 ECEDMO COc1cc(C#N)ccc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000932697226 611657098 /nfs/dbraw/zinc/65/70/98/611657098.db2.gz OQEHDOVLCSNLGB-UHFFFAOYSA-N 1 1 330.388 0.461 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@H]2CO)CC1 ZINC000934017962 608787994 /nfs/dbraw/zinc/78/79/94/608787994.db2.gz UZTPFOAFZGVPNI-UONOGXRCSA-N 1 1 334.445 0.524 20 30 ECEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H]2CO)CC1 ZINC000934017962 608787997 /nfs/dbraw/zinc/78/79/97/608787997.db2.gz UZTPFOAFZGVPNI-UONOGXRCSA-N 1 1 334.445 0.524 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC([C@H]3COC(=O)N3)CC2)cc1 ZINC000932779663 611666331 /nfs/dbraw/zinc/66/63/31/611666331.db2.gz AJQYUPQLUDDRNL-MRXNPFEDSA-N 1 1 342.399 0.995 20 30 ECEDMO C#CCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C ZINC000928628685 608914972 /nfs/dbraw/zinc/91/49/72/608914972.db2.gz BOFVALOOMBQXCE-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C[C@@H]1C ZINC000947309917 608957547 /nfs/dbraw/zinc/95/75/47/608957547.db2.gz IXWXBORYERJVPC-UONOGXRCSA-N 1 1 333.432 0.764 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947218049 608969896 /nfs/dbraw/zinc/96/98/96/608969896.db2.gz VSXVWPINLQOJNR-OLZOCXBDSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC000937137422 608995369 /nfs/dbraw/zinc/99/53/69/608995369.db2.gz WYNCXXXIKWJMJY-PVAVHDDUSA-N 1 1 345.443 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncoc2C)C1 ZINC000937727527 609039795 /nfs/dbraw/zinc/03/97/95/609039795.db2.gz RRRVZPDCCADNOC-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncoc2C)C1 ZINC000937727527 609039799 /nfs/dbraw/zinc/03/97/99/609039799.db2.gz RRRVZPDCCADNOC-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000937211977 609048274 /nfs/dbraw/zinc/04/82/74/609048274.db2.gz QXPJEKSBMYGSDR-UHOFOFEASA-N 1 1 343.431 0.899 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000954426774 609050482 /nfs/dbraw/zinc/05/04/82/609050482.db2.gz ZBBPSVKCANNDIU-MAUKXSAKSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000954426774 609050486 /nfs/dbraw/zinc/05/04/86/609050486.db2.gz ZBBPSVKCANNDIU-MAUKXSAKSA-N 1 1 337.464 0.979 20 30 ECEDMO Cn1nccc1[C@@H]1[C@@H](CNC(=O)NCC#CCO)CCC[N@H+]1C1CC1 ZINC000923762802 609058410 /nfs/dbraw/zinc/05/84/10/609058410.db2.gz BSTDAHOLWDIJRY-PBHICJAKSA-N 1 1 345.447 0.631 20 30 ECEDMO C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO2 ZINC000949120965 609064613 /nfs/dbraw/zinc/06/46/13/609064613.db2.gz MLLIGKRPXSGYSB-CQSZACIVSA-N 1 1 344.477 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnn(CC)c2)C1 ZINC000937759275 609065157 /nfs/dbraw/zinc/06/51/57/609065157.db2.gz DKOYELMNLVWFRB-HOTGVXAUSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnn(CC)c2)C1 ZINC000937759275 609065160 /nfs/dbraw/zinc/06/51/60/609065160.db2.gz DKOYELMNLVWFRB-HOTGVXAUSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)OC ZINC000937265267 609092650 /nfs/dbraw/zinc/09/26/50/609092650.db2.gz JVZKCBFROJGGMQ-JYJNAYRXSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)OC ZINC000937265267 609092652 /nfs/dbraw/zinc/09/26/52/609092652.db2.gz JVZKCBFROJGGMQ-JYJNAYRXSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC000937975955 609445924 /nfs/dbraw/zinc/44/59/24/609445924.db2.gz HXFXIUFAQZPPGK-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC000937975955 609445926 /nfs/dbraw/zinc/44/59/26/609445926.db2.gz HXFXIUFAQZPPGK-HOCLYGCPSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC000938171140 609483524 /nfs/dbraw/zinc/48/35/24/609483524.db2.gz XOAZJOSRSSLFCT-MJBXVCDLSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC000938171140 609483527 /nfs/dbraw/zinc/48/35/27/609483527.db2.gz XOAZJOSRSSLFCT-MJBXVCDLSA-N 1 1 339.386 0.846 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C ZINC000947809374 611700575 /nfs/dbraw/zinc/70/05/75/611700575.db2.gz BNRUYASYCMTYDB-ZIAGYGMSSA-N 1 1 341.415 0.937 20 30 ECEDMO C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@H+]2C)ccc1F ZINC000928568814 611702928 /nfs/dbraw/zinc/70/29/28/611702928.db2.gz IZSXKPMVBURGIJ-GFCCVEGCSA-N 1 1 341.408 0.724 20 30 ECEDMO C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+]2C)ccc1F ZINC000928568814 611702929 /nfs/dbraw/zinc/70/29/29/611702929.db2.gz IZSXKPMVBURGIJ-GFCCVEGCSA-N 1 1 341.408 0.724 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000908000604 609640055 /nfs/dbraw/zinc/64/00/55/609640055.db2.gz HIUKRGTXIOWIFU-IRXDYDNUSA-N 1 1 349.456 0.919 20 30 ECEDMO C[C@H](CNC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000919733290 609661657 /nfs/dbraw/zinc/66/16/57/609661657.db2.gz MCJHFZXGHDXABI-PMPSAXMXSA-N 1 1 337.468 0.582 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@H]1C[N@H+](C)CCN1C ZINC000920012047 609669500 /nfs/dbraw/zinc/66/95/00/609669500.db2.gz ZXMVZOWNQXLSTP-XHDPSFHLSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000920012047 609669502 /nfs/dbraw/zinc/66/95/02/609669502.db2.gz ZXMVZOWNQXLSTP-XHDPSFHLSA-N 1 1 340.424 0.610 20 30 ECEDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CC(C)(C)C#N)C2 ZINC000920273338 609677437 /nfs/dbraw/zinc/67/74/37/609677437.db2.gz GUHKSOQWRQEQTR-KQTLUZQSSA-N 1 1 343.493 0.935 20 30 ECEDMO C#CCCS(=O)(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000920303705 609679064 /nfs/dbraw/zinc/67/90/64/609679064.db2.gz RLLPPPYFFMBRHG-FPCVCCKLSA-N 1 1 328.478 0.799 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)C[C@]2(OC(C)C)CCOC2)CC1 ZINC000921437484 609716771 /nfs/dbraw/zinc/71/67/71/609716771.db2.gz YMDZMXQKTWUOGX-INIZCTEOSA-N 1 1 344.477 0.588 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000948739295 611708410 /nfs/dbraw/zinc/70/84/10/611708410.db2.gz GBRNBBQATWVTFB-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000948739295 611708413 /nfs/dbraw/zinc/70/84/13/611708413.db2.gz GBRNBBQATWVTFB-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000064442478 609721345 /nfs/dbraw/zinc/72/13/45/609721345.db2.gz SWLRSOMEOKNRRZ-UHFFFAOYSA-N 1 1 335.429 0.376 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H](C)C2)CC1 ZINC000948071400 609721367 /nfs/dbraw/zinc/72/13/67/609721367.db2.gz XTADKAOFNOWEEN-WBVHZDCISA-N 1 1 348.491 0.389 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC000948071374 609721459 /nfs/dbraw/zinc/72/14/59/609721459.db2.gz XNAMZTVJYXWUNV-OLZOCXBDSA-N 1 1 334.424 0.312 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000948739294 611708619 /nfs/dbraw/zinc/70/86/19/611708619.db2.gz GBRNBBQATWVTFB-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000948739294 611708623 /nfs/dbraw/zinc/70/86/23/611708623.db2.gz GBRNBBQATWVTFB-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000938372370 609758852 /nfs/dbraw/zinc/75/88/52/609758852.db2.gz IYAAYNNMWMMJDM-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cccnc2C)C1 ZINC000938449473 609800069 /nfs/dbraw/zinc/80/00/69/609800069.db2.gz RRKLVEGDPRJUPT-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cccnc2C)C1 ZINC000938449473 609800073 /nfs/dbraw/zinc/80/00/73/609800073.db2.gz RRKLVEGDPRJUPT-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000938541765 609849682 /nfs/dbraw/zinc/84/96/82/609849682.db2.gz ARWYGXSYRGDVEU-OCCSQVGLSA-N 1 1 338.371 0.758 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000938539577 609857453 /nfs/dbraw/zinc/85/74/53/609857453.db2.gz KLIDGGMDEUGWBO-GXTWGEPZSA-N 1 1 329.404 0.511 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000914175855 609861655 /nfs/dbraw/zinc/86/16/55/609861655.db2.gz ONUXGOLHKGJNGL-GASCZTMLSA-N 1 1 325.457 0.582 20 30 ECEDMO C[C@H]1CN(S(=O)(=O)CC(C)(C)C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000914307646 609877050 /nfs/dbraw/zinc/87/70/50/609877050.db2.gz GWQYGSFTMDKDIC-GJZGRUSLSA-N 1 1 342.509 0.824 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](CCCC)C2CC2)c1=O ZINC000914783760 609896676 /nfs/dbraw/zinc/89/66/76/609896676.db2.gz FEGPJFACPDVPOX-UHFFFAOYSA-N 1 1 334.420 0.766 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](CCCC)C2CC2)c1=O ZINC000914783760 609896678 /nfs/dbraw/zinc/89/66/78/609896678.db2.gz FEGPJFACPDVPOX-UHFFFAOYSA-N 1 1 334.420 0.766 20 30 ECEDMO C#CCC1(NC(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)CCOCC1 ZINC000925422501 609906965 /nfs/dbraw/zinc/90/69/65/609906965.db2.gz ZAJKJEJTZCZBIA-HNNXBMFYSA-N 1 1 336.432 0.950 20 30 ECEDMO C#CCC1(NC(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)CCOCC1 ZINC000925422501 609906967 /nfs/dbraw/zinc/90/69/67/609906967.db2.gz ZAJKJEJTZCZBIA-HNNXBMFYSA-N 1 1 336.432 0.950 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)CSCC#N)C1 ZINC000915386772 609910948 /nfs/dbraw/zinc/91/09/48/609910948.db2.gz QWRIGDWAOCEDGM-ZDUSSCGKSA-N 1 1 343.449 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000938673193 609930678 /nfs/dbraw/zinc/93/06/78/609930678.db2.gz BLSIRZZDTSXXBO-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000938673193 609930681 /nfs/dbraw/zinc/93/06/81/609930681.db2.gz BLSIRZZDTSXXBO-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO CC[N@@H+](CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(C)C ZINC000916160552 609933294 /nfs/dbraw/zinc/93/32/94/609933294.db2.gz BCCJSMVNXUOUAN-HIFRSBDPSA-N 1 1 342.465 0.296 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccsn2)C1 ZINC000938743210 609968441 /nfs/dbraw/zinc/96/84/41/609968441.db2.gz QTSLEFDGWDWAET-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccsn2)C1 ZINC000938743210 609968443 /nfs/dbraw/zinc/96/84/43/609968443.db2.gz QTSLEFDGWDWAET-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C2=CCOCC2)C1 ZINC000938756123 609982011 /nfs/dbraw/zinc/98/20/11/609982011.db2.gz IFRAOXDASCGODB-IRXDYDNUSA-N 1 1 345.443 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C2=CCOCC2)C1 ZINC000938756123 609982012 /nfs/dbraw/zinc/98/20/12/609982012.db2.gz IFRAOXDASCGODB-IRXDYDNUSA-N 1 1 345.443 0.490 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000938823646 610025745 /nfs/dbraw/zinc/02/57/45/610025745.db2.gz PSWCQRRHEWRDSU-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO CC[N@H+]1[C@H](C)CN(S(=O)(=O)N(CCC#N)CCOC)C[C@@H]1C ZINC000919581336 610049949 /nfs/dbraw/zinc/04/99/49/610049949.db2.gz WUQDXSVUUKWQJL-OKILXGFUSA-N 1 1 332.470 0.508 20 30 ECEDMO CC[N@@H+]1[C@H](C)CN(S(=O)(=O)N(CCC#N)CCOC)C[C@@H]1C ZINC000919581336 610049952 /nfs/dbraw/zinc/04/99/52/610049952.db2.gz WUQDXSVUUKWQJL-OKILXGFUSA-N 1 1 332.470 0.508 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000939699610 610090941 /nfs/dbraw/zinc/09/09/41/610090941.db2.gz OMGPYIJFGFHHOW-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCc3ccn(C)n3)C2)CC1 ZINC000939809143 610136488 /nfs/dbraw/zinc/13/64/88/610136488.db2.gz HVEHNLLBUNOSRQ-CRAIPNDOSA-N 1 1 343.475 0.702 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nncs3)C2)nn1 ZINC000939292848 610149300 /nfs/dbraw/zinc/14/93/00/610149300.db2.gz NJBFCGGLNKAPFR-VXGBXAGGSA-N 1 1 347.448 0.956 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939934355 610171034 /nfs/dbraw/zinc/17/10/34/610171034.db2.gz QALHODCNEOWATR-CYBMUJFWSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC000939361057 610177823 /nfs/dbraw/zinc/17/78/23/610177823.db2.gz VPZVXCKCQJPBBH-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC000939361057 610177824 /nfs/dbraw/zinc/17/78/24/610177824.db2.gz VPZVXCKCQJPBBH-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940049246 610195939 /nfs/dbraw/zinc/19/59/39/610195939.db2.gz FLEDPLRYRFHDOX-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940049246 610195940 /nfs/dbraw/zinc/19/59/40/610195940.db2.gz FLEDPLRYRFHDOX-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(C4CC4)nn3C)CC2)C1 ZINC000941426810 610300857 /nfs/dbraw/zinc/30/08/57/610300857.db2.gz HETWLAUJPROASJ-UHFFFAOYSA-N 1 1 341.459 0.763 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)COc3c(C)nn(C)c3C)CC2)C1 ZINC000941411320 610302392 /nfs/dbraw/zinc/30/23/92/610302392.db2.gz ZDCDMHAJWLPSHA-UHFFFAOYSA-N 1 1 347.463 0.430 20 30 ECEDMO C=CCC[NH+]1CC(N2CCN(C(=O)c3cccc4nn[nH]c43)CC2)C1 ZINC000941419950 610306001 /nfs/dbraw/zinc/30/60/01/610306001.db2.gz MNYSQMAWOCBOMQ-UHFFFAOYSA-N 1 1 340.431 0.976 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCOC[C@H]3OC)CC2)C1 ZINC000941432798 610313401 /nfs/dbraw/zinc/31/34/01/610313401.db2.gz HAYJKDLINNIPKS-NVXWUHKLSA-N 1 1 337.464 0.442 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC000941437205 610315062 /nfs/dbraw/zinc/31/50/62/610315062.db2.gz VLQZVMUWMNBZFL-OAHLLOKOSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3COC)CC2)C1 ZINC000941463038 610321335 /nfs/dbraw/zinc/32/13/35/610321335.db2.gz JVZFHOQSDZDXDL-UHFFFAOYSA-N 1 1 333.436 0.195 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)C1 ZINC000941463076 610321727 /nfs/dbraw/zinc/32/17/27/610321727.db2.gz LDXUHTLCKDCINN-MRXNPFEDSA-N 1 1 343.475 0.850 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940656729 610326461 /nfs/dbraw/zinc/32/64/61/610326461.db2.gz FLYNCNJAZRNAAF-LSDHHAIUSA-N 1 1 343.431 0.995 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940658016 610326504 /nfs/dbraw/zinc/32/65/04/610326504.db2.gz NSAZOUZBCNXVEA-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn4c3OCCC4)CC2)C1 ZINC000941474876 610331604 /nfs/dbraw/zinc/33/16/04/610331604.db2.gz BMBAUVMPUNWAOJ-UHFFFAOYSA-N 1 1 331.420 0.294 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2nonc2C)CC1 ZINC000941464874 610333986 /nfs/dbraw/zinc/33/39/86/610333986.db2.gz ARIJJTZMLBZKBA-AWEZNQCLSA-N 1 1 345.403 0.150 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2nonc2C)CC1 ZINC000941464874 610333988 /nfs/dbraw/zinc/33/39/88/610333988.db2.gz ARIJJTZMLBZKBA-AWEZNQCLSA-N 1 1 345.403 0.150 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2nccs2)CC1 ZINC000941465436 610334236 /nfs/dbraw/zinc/33/42/36/610334236.db2.gz LCTQKMAHWWOZQJ-AWEZNQCLSA-N 1 1 346.456 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2nccs2)CC1 ZINC000941465436 610334239 /nfs/dbraw/zinc/33/42/39/610334239.db2.gz LCTQKMAHWWOZQJ-AWEZNQCLSA-N 1 1 346.456 0.915 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000942248353 610356774 /nfs/dbraw/zinc/35/67/74/610356774.db2.gz SGEHNJLVHLUXJF-HZPDHXFCSA-N 1 1 333.432 0.226 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000942248353 610356777 /nfs/dbraw/zinc/35/67/77/610356777.db2.gz SGEHNJLVHLUXJF-HZPDHXFCSA-N 1 1 333.432 0.226 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccn3nnnc23)C(C)(C)C1 ZINC000940774578 610365975 /nfs/dbraw/zinc/36/59/75/610365975.db2.gz RRTGOIZLQIUISF-CQSZACIVSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(C(F)F)n[nH]3)CC2)C1 ZINC000941563592 610384241 /nfs/dbraw/zinc/38/42/41/610384241.db2.gz JDUKAMPYYXIQEZ-UHFFFAOYSA-N 1 1 337.374 0.813 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4ccncc4C3)CC2)C1 ZINC000941566963 610386808 /nfs/dbraw/zinc/38/68/08/610386808.db2.gz MYTIUNITXIVCGE-KRWDZBQOSA-N 1 1 338.455 0.648 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3c(C)nn(C)c3OC)CC2)C1 ZINC000941589935 610398746 /nfs/dbraw/zinc/39/87/46/610398746.db2.gz ARPROYVPIMZREQ-UHFFFAOYSA-N 1 1 347.463 0.755 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)C(C)(C)C1 ZINC000940867428 610403628 /nfs/dbraw/zinc/40/36/28/610403628.db2.gz ANKGDFFPMGOVJM-HNNXBMFYSA-N 1 1 330.432 0.978 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc(C4CC4)nc3)CC2)C1 ZINC000941596650 610413984 /nfs/dbraw/zinc/41/39/84/610413984.db2.gz LDNGPZAZKYARJI-UHFFFAOYSA-N 1 1 339.443 0.819 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC(C)CC3)CC2)C1 ZINC000941596793 610414022 /nfs/dbraw/zinc/41/40/22/610414022.db2.gz PKYOVHHGJIDBJU-UHFFFAOYSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC(N)=O)[C@H](C)C1 ZINC000942369232 610418042 /nfs/dbraw/zinc/41/80/42/610418042.db2.gz XSYZKNYPYKAACK-HIFRSBDPSA-N 1 1 329.400 0.624 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3coc(COC)n3)CC2)C1 ZINC000941620945 610425761 /nfs/dbraw/zinc/42/57/61/610425761.db2.gz QAUFTRCITXWXRP-UHFFFAOYSA-N 1 1 334.420 0.839 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(C)c3F)CC2)C1 ZINC000941655301 610430248 /nfs/dbraw/zinc/43/02/48/610430248.db2.gz UNSAXRYNGCZOBJ-UHFFFAOYSA-N 1 1 333.411 0.333 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000940937664 610437990 /nfs/dbraw/zinc/43/79/90/610437990.db2.gz CZUDMWARODNTNY-CYBMUJFWSA-N 1 1 342.871 0.387 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000940937664 610437992 /nfs/dbraw/zinc/43/79/92/610437992.db2.gz CZUDMWARODNTNY-CYBMUJFWSA-N 1 1 342.871 0.387 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677927 610450822 /nfs/dbraw/zinc/45/08/22/610450822.db2.gz YRIDLMBZTQDCPB-CALCHBBNSA-N 1 1 332.492 0.711 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000942452513 610466939 /nfs/dbraw/zinc/46/69/39/610466939.db2.gz OCFUVZRBXVIOCG-KFWWJZLASA-N 1 1 332.404 0.500 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](C)C1 ZINC000942498186 610482641 /nfs/dbraw/zinc/48/26/41/610482641.db2.gz XPNQAJZULFBCOG-CABCVRRESA-N 1 1 343.493 0.815 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H](C)C1 ZINC000942523630 610499035 /nfs/dbraw/zinc/49/90/35/610499035.db2.gz SLXJVJDGWZMTRE-TZMCWYRMSA-N 1 1 326.404 0.827 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H](C)C1 ZINC000942528050 610500361 /nfs/dbraw/zinc/50/03/61/610500361.db2.gz WZHGYFFIZMZAID-OCCSQVGLSA-N 1 1 341.415 0.795 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](C)C1 ZINC000942548610 610508633 /nfs/dbraw/zinc/50/86/33/610508633.db2.gz VPOKKERZQQWNAK-YPMHNXCESA-N 1 1 342.407 0.157 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941791457 610510588 /nfs/dbraw/zinc/51/05/88/610510588.db2.gz UBQLBNZYPIOQHK-BBRMVZONSA-N 1 1 339.403 0.572 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@H](C)C1 ZINC000942557653 610511176 /nfs/dbraw/zinc/51/11/76/610511176.db2.gz KTEQOCCBDDIWPM-CABCVRRESA-N 1 1 330.436 0.792 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000941050126 610511302 /nfs/dbraw/zinc/51/13/02/610511302.db2.gz OGAZIZJRTACWMF-KGLIPLIRSA-N 1 1 330.436 0.476 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941090284 610531203 /nfs/dbraw/zinc/53/12/03/610531203.db2.gz BZABTPFIHBXOCC-KGLIPLIRSA-N 1 1 343.493 0.813 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000941144745 610562670 /nfs/dbraw/zinc/56/26/70/610562670.db2.gz FTFWAZPRIGFCNQ-GFCCVEGCSA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000941153287 610565497 /nfs/dbraw/zinc/56/54/97/610565497.db2.gz YZRRBYIXQDIAJK-UKRRQHHQSA-N 1 1 331.420 0.703 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC000941151740 610565504 /nfs/dbraw/zinc/56/55/04/610565504.db2.gz QEALKCHQSGEHAQ-AWEZNQCLSA-N 1 1 346.431 0.962 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC000941151740 610565505 /nfs/dbraw/zinc/56/55/05/610565505.db2.gz QEALKCHQSGEHAQ-AWEZNQCLSA-N 1 1 346.431 0.962 20 30 ECEDMO C[C@H]1C[N@@H+](CCN2CCCC2=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929368 610566828 /nfs/dbraw/zinc/56/68/28/610566828.db2.gz LLRDFXXSTJYJPB-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1C[N@@H+](CCn2cncn2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929537 610566880 /nfs/dbraw/zinc/56/68/80/610566880.db2.gz NTECYKUFRLVKHR-GXTWGEPZSA-N 1 1 327.392 0.618 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941928654 610566940 /nfs/dbraw/zinc/56/69/40/610566940.db2.gz FWGABSIQJXFKRH-OCCSQVGLSA-N 1 1 344.419 0.352 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000941930956 610568229 /nfs/dbraw/zinc/56/82/29/610568229.db2.gz RSOHCCVUAMDQMM-QZTJIDSGSA-N 1 1 339.439 0.879 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000941190835 610585979 /nfs/dbraw/zinc/58/59/79/610585979.db2.gz LBBOGJPTAIXEMY-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941963687 610586386 /nfs/dbraw/zinc/58/63/86/610586386.db2.gz MMLMIFLKAFCCTG-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H]1C[N@H+](CCS(C)(=O)=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964858 610587365 /nfs/dbraw/zinc/58/73/65/610587365.db2.gz UZKVKLVJOXURAF-FZMZJTMJSA-N 1 1 338.433 0.371 20 30 ECEDMO C[C@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964858 610587367 /nfs/dbraw/zinc/58/73/67/610587367.db2.gz UZKVKLVJOXURAF-FZMZJTMJSA-N 1 1 338.433 0.371 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000941230720 610602172 /nfs/dbraw/zinc/60/21/72/610602172.db2.gz JQTZCFYBMCNVMV-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2c(OC)ncnc2OC)C(C)(C)C1 ZINC000941250999 610619300 /nfs/dbraw/zinc/61/93/00/610619300.db2.gz QLCAPUHETBPGLF-GFCCVEGCSA-N 1 1 332.404 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000941238167 610622415 /nfs/dbraw/zinc/62/24/15/610622415.db2.gz WCRZCZIFRUWZBU-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000941238167 610622417 /nfs/dbraw/zinc/62/24/17/610622417.db2.gz WCRZCZIFRUWZBU-OAGGEKHMSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1C ZINC000947899664 610628537 /nfs/dbraw/zinc/62/85/37/610628537.db2.gz MGLOGNMXPOGGGZ-LSDHHAIUSA-N 1 1 345.447 0.374 20 30 ECEDMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000942801525 610628567 /nfs/dbraw/zinc/62/85/67/610628567.db2.gz LLWKJLWDCYZWOT-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942058610 610636526 /nfs/dbraw/zinc/63/65/26/610636526.db2.gz ZCFDJNUQXCFRFH-XJKSGUPXSA-N 1 1 339.403 0.572 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000941273701 610641039 /nfs/dbraw/zinc/64/10/39/610641039.db2.gz LYSFKDMSYHFMGL-RBSFLKMASA-N 1 1 335.448 0.779 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000941273701 610641040 /nfs/dbraw/zinc/64/10/40/610641040.db2.gz LYSFKDMSYHFMGL-RBSFLKMASA-N 1 1 335.448 0.779 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1OC ZINC000942120640 610659126 /nfs/dbraw/zinc/65/91/26/610659126.db2.gz MRDJYBUPAWSMRB-BRWVUGGUSA-N 1 1 347.459 0.616 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](C)c3ccnn3C)CC2)C1 ZINC000941410387 610719468 /nfs/dbraw/zinc/71/94/68/610719468.db2.gz GHMMEVLJTDYZLW-OAHLLOKOSA-N 1 1 331.464 0.928 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccnc4[nH]cnc43)CC2)C1 ZINC000941424638 610724694 /nfs/dbraw/zinc/72/46/94/610724694.db2.gz UNQMZHXEGHNLOI-UHFFFAOYSA-N 1 1 340.431 0.976 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000943101205 610728446 /nfs/dbraw/zinc/72/84/46/610728446.db2.gz GHCQRYKDUKJPNW-HOCLYGCPSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000943101205 610728447 /nfs/dbraw/zinc/72/84/47/610728447.db2.gz GHCQRYKDUKJPNW-HOCLYGCPSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc(F)c[nH]1 ZINC000944143917 610755585 /nfs/dbraw/zinc/75/55/85/610755585.db2.gz OXQDJSNYHOTPSY-ZBFHGGJFSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc(F)c[nH]1 ZINC000944143917 610755587 /nfs/dbraw/zinc/75/55/87/610755587.db2.gz OXQDJSNYHOTPSY-ZBFHGGJFSA-N 1 1 346.406 0.972 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@@H]2C)nc1 ZINC000944193498 610776646 /nfs/dbraw/zinc/77/66/46/610776646.db2.gz WOCVFLCEDCNTHC-BBRMVZONSA-N 1 1 340.427 0.782 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000943261487 610778551 /nfs/dbraw/zinc/77/85/51/610778551.db2.gz QJUCSNQBKBAJEC-GJZGRUSLSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1C ZINC000944213302 610786080 /nfs/dbraw/zinc/78/60/80/610786080.db2.gz CMTIOWZHOVYEKV-HOCLYGCPSA-N 1 1 331.416 0.916 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 ZINC000944810763 610795173 /nfs/dbraw/zinc/79/51/73/610795173.db2.gz KSSBEIXUSDNFFU-UONOGXRCSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2cnon2)C1 ZINC000943337070 610807845 /nfs/dbraw/zinc/80/78/45/610807845.db2.gz QBCYMPYNWRWFHY-HIFRSBDPSA-N 1 1 345.403 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2cnon2)C1 ZINC000943337070 610807847 /nfs/dbraw/zinc/80/78/47/610807847.db2.gz QBCYMPYNWRWFHY-HIFRSBDPSA-N 1 1 345.403 0.278 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](OC)C(C)C ZINC000944260851 610811928 /nfs/dbraw/zinc/81/19/28/610811928.db2.gz YMYWFQYEBJBPCK-IXDOHACOSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](OC)C(C)C ZINC000944260851 610811929 /nfs/dbraw/zinc/81/19/29/610811929.db2.gz YMYWFQYEBJBPCK-IXDOHACOSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2C)cc1 ZINC000943464674 610851515 /nfs/dbraw/zinc/85/15/15/610851515.db2.gz IVYPLHKKRNZWDO-CZUORRHYSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2C)cc1 ZINC000943464674 610851516 /nfs/dbraw/zinc/85/15/16/610851516.db2.gz IVYPLHKKRNZWDO-CZUORRHYSA-N 1 1 329.400 0.624 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H](C)C#N)C3)CC2)C1 ZINC000944951284 610854329 /nfs/dbraw/zinc/85/43/29/610854329.db2.gz KRGBDJAYSHSJDU-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H](C)C#N)C3)CC2)C1 ZINC000944951284 610854331 /nfs/dbraw/zinc/85/43/31/610854331.db2.gz KRGBDJAYSHSJDU-HUUCEWRRSA-N 1 1 348.447 0.318 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)CC1 ZINC000944981968 610868104 /nfs/dbraw/zinc/86/81/04/610868104.db2.gz HWXNNZGJIIEVHW-CYBMUJFWSA-N 1 1 329.404 0.802 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H](C)C1 ZINC000943648052 610928012 /nfs/dbraw/zinc/92/80/12/610928012.db2.gz SAZBGDHLKRHUEL-WFASDCNBSA-N 1 1 341.415 0.795 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC000944561381 610970168 /nfs/dbraw/zinc/97/01/68/610970168.db2.gz WYTDELLWEWOPRZ-XHSDSOJGSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC000944561381 610970171 /nfs/dbraw/zinc/97/01/71/610970171.db2.gz WYTDELLWEWOPRZ-XHSDSOJGSA-N 1 1 347.459 0.474 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000944605548 611020955 /nfs/dbraw/zinc/02/09/55/611020955.db2.gz KYROCJGYGKHTCY-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cscn1 ZINC000943907941 611028983 /nfs/dbraw/zinc/02/89/83/611028983.db2.gz GQNDPEIJWFJPGA-HIFRSBDPSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cscn1 ZINC000943907941 611028985 /nfs/dbraw/zinc/02/89/85/611028985.db2.gz GQNDPEIJWFJPGA-HIFRSBDPSA-N 1 1 346.456 0.962 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944629227 611031261 /nfs/dbraw/zinc/03/12/61/611031261.db2.gz XCEUQYUOVYMULC-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1conc1C ZINC000944101381 611124127 /nfs/dbraw/zinc/12/41/27/611124127.db2.gz TVDAJYUDFSPLPV-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1conc1C ZINC000944101381 611124129 /nfs/dbraw/zinc/12/41/29/611124129.db2.gz TVDAJYUDFSPLPV-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccncc1 ZINC000944097415 611130411 /nfs/dbraw/zinc/13/04/11/611130411.db2.gz BQAYVQAAXAMUJO-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccncc1 ZINC000944097415 611130413 /nfs/dbraw/zinc/13/04/13/611130413.db2.gz BQAYVQAAXAMUJO-SJORKVTESA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC000944097554 611130610 /nfs/dbraw/zinc/13/06/10/611130610.db2.gz FVJJPZHIJGZMEJ-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC000944097554 611130611 /nfs/dbraw/zinc/13/06/11/611130611.db2.gz FVJJPZHIJGZMEJ-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cc(C)on1 ZINC000944097805 611130741 /nfs/dbraw/zinc/13/07/41/611130741.db2.gz LYBPMQXKFXPBSU-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cc(C)on1 ZINC000944097805 611130743 /nfs/dbraw/zinc/13/07/43/611130743.db2.gz LYBPMQXKFXPBSU-ZBFHGGJFSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000944098667 611131054 /nfs/dbraw/zinc/13/10/54/611131054.db2.gz CZUQGISZKVTZLT-ZACQAIPSSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CCOCC1 ZINC000944099998 611131492 /nfs/dbraw/zinc/13/14/92/611131492.db2.gz KTKQKMAPXMRXTA-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=CCOCC1 ZINC000944099998 611131493 /nfs/dbraw/zinc/13/14/93/611131493.db2.gz KTKQKMAPXMRXTA-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCOCC3)CC[C@@H]2C1 ZINC000946824511 611175021 /nfs/dbraw/zinc/17/50/21/611175021.db2.gz QNFYCZBIIBIRDZ-CALCHBBNSA-N 1 1 333.476 0.901 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC000946851014 611196494 /nfs/dbraw/zinc/19/64/94/611196494.db2.gz AHGFHTSOFWDZBX-OKILXGFUSA-N 1 1 334.420 0.285 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000923334425 611230592 /nfs/dbraw/zinc/23/05/92/611230592.db2.gz XDVOFTXURHWKOV-IRXDYDNUSA-N 1 1 328.416 0.488 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3C(C)=O)CC[C@@H]2C1 ZINC000946896186 611239183 /nfs/dbraw/zinc/23/91/83/611239183.db2.gz GGZFWGHAFHKJGH-FGTMMUONSA-N 1 1 347.459 0.427 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)CN2CCNCC[NH2+]CC2)c(OC)c1 ZINC000923460448 611245892 /nfs/dbraw/zinc/24/58/92/611245892.db2.gz ODGFYCVRVYKQJT-QGZVFWFLSA-N 1 1 349.475 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCCCCCS(N)(=O)=O)C1 ZINC000923560635 611261737 /nfs/dbraw/zinc/26/17/37/611261737.db2.gz ZQYSMTWZAPAOIU-AWEZNQCLSA-N 1 1 329.466 0.439 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCCCCS(N)(=O)=O)C1 ZINC000923560635 611261740 /nfs/dbraw/zinc/26/17/40/611261740.db2.gz ZQYSMTWZAPAOIU-AWEZNQCLSA-N 1 1 329.466 0.439 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCOc2cccc(C(N)=O)c2)C1 ZINC000923568895 611264535 /nfs/dbraw/zinc/26/45/35/611264535.db2.gz KQMDCUXNSBJDQM-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCOc2cccc(C(N)=O)c2)C1 ZINC000923568895 611264536 /nfs/dbraw/zinc/26/45/36/611264536.db2.gz KQMDCUXNSBJDQM-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 ZINC000923590449 611270545 /nfs/dbraw/zinc/27/05/45/611270545.db2.gz XCZPMKOTACOYPL-IAGOWNOFSA-N 1 1 338.415 0.671 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 ZINC000923590449 611270546 /nfs/dbraw/zinc/27/05/46/611270546.db2.gz XCZPMKOTACOYPL-IAGOWNOFSA-N 1 1 338.415 0.671 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)C1 ZINC000923589996 611270594 /nfs/dbraw/zinc/27/05/94/611270594.db2.gz OLECMWXOEFXVHW-CYBMUJFWSA-N 1 1 340.387 0.504 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)C1 ZINC000923589996 611270596 /nfs/dbraw/zinc/27/05/96/611270596.db2.gz OLECMWXOEFXVHW-CYBMUJFWSA-N 1 1 340.387 0.504 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NCC)cc2)C1 ZINC000923591715 611271405 /nfs/dbraw/zinc/27/14/05/611271405.db2.gz CECKRWJDYMEGLV-HNNXBMFYSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NCC)cc2)C1 ZINC000923591715 611271407 /nfs/dbraw/zinc/27/14/07/611271407.db2.gz CECKRWJDYMEGLV-HNNXBMFYSA-N 1 1 349.456 0.812 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC000947925660 611284501 /nfs/dbraw/zinc/28/45/01/611284501.db2.gz RIMFBSRCRYCWLM-VXGBXAGGSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC000947925660 611284502 /nfs/dbraw/zinc/28/45/02/611284502.db2.gz RIMFBSRCRYCWLM-VXGBXAGGSA-N 1 1 342.827 0.602 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000834549413 611291906 /nfs/dbraw/zinc/29/19/06/611291906.db2.gz CUIOVJSLFPYPRO-MRXNPFEDSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2=CCOCC2)CC1 ZINC000946536172 611308298 /nfs/dbraw/zinc/30/82/98/611308298.db2.gz SYDCZFQIRVSNEJ-KRWDZBQOSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2=CCOCC2)CC1 ZINC000946536172 611308299 /nfs/dbraw/zinc/30/82/99/611308299.db2.gz SYDCZFQIRVSNEJ-KRWDZBQOSA-N 1 1 345.443 0.538 20 30 ECEDMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1 ZINC000946542462 611313669 /nfs/dbraw/zinc/31/36/69/611313669.db2.gz PXRFMERHLMIGOA-FPMFFAJLSA-N 1 1 329.404 0.544 20 30 ECEDMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)CC[C@@H]2C1 ZINC000946558392 611319124 /nfs/dbraw/zinc/31/91/24/611319124.db2.gz CMCCZWHVUCUOCK-OKILXGFUSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCOCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000921934195 611327354 /nfs/dbraw/zinc/32/73/54/611327354.db2.gz SNXFTOZMWDJDQV-CBZIJGRNSA-N 1 1 337.464 0.805 20 30 ECEDMO C#C[C@H](NC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O)[C@H]1CCCO1 ZINC000922047146 611333086 /nfs/dbraw/zinc/33/30/86/611333086.db2.gz JXGNXFNPPPRGRW-DPIHELBLSA-N 1 1 349.475 0.946 20 30 ECEDMO C[N@H+]1CC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000922184153 611342303 /nfs/dbraw/zinc/34/23/03/611342303.db2.gz ORNJZBMJLBFMDP-HOTGVXAUSA-N 1 1 341.415 0.662 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C ZINC000947895105 611734419 /nfs/dbraw/zinc/73/44/19/611734419.db2.gz HPBUFDVTJZCNBE-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000929200338 611736629 /nfs/dbraw/zinc/73/66/29/611736629.db2.gz DRSTZAQTQLKKHF-UHFFFAOYSA-N 1 1 349.456 0.964 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)[C@H](C)C2)cn1 ZINC000947947909 611752331 /nfs/dbraw/zinc/75/23/31/611752331.db2.gz KLGXBARYXVOTDD-CXAGYDPISA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H](C)C2)cn1 ZINC000947947909 611752332 /nfs/dbraw/zinc/75/23/32/611752332.db2.gz KLGXBARYXVOTDD-CXAGYDPISA-N 1 1 340.427 0.924 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@@H]2Cc3cc(OC)ccc3O2)CC1 ZINC000929511617 611761335 /nfs/dbraw/zinc/76/13/35/611761335.db2.gz PWOATVBSRMYNKX-KRWDZBQOSA-N 1 1 343.427 0.366 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C ZINC000950566260 611769025 /nfs/dbraw/zinc/76/90/25/611769025.db2.gz UQPIAWRDCIKRCG-YUELXQCFSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C ZINC000950566260 611769026 /nfs/dbraw/zinc/76/90/26/611769026.db2.gz UQPIAWRDCIKRCG-YUELXQCFSA-N 1 1 346.456 0.817 20 30 ECEDMO CN(Cc1cc(C#N)cs1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000929749395 611789287 /nfs/dbraw/zinc/78/92/87/611789287.db2.gz RHIYEXFYDLJABL-GFCCVEGCSA-N 1 1 332.429 0.931 20 30 ECEDMO C=CC[C@H]1CC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000934467479 611801830 /nfs/dbraw/zinc/80/18/30/611801830.db2.gz QWBCCGTXYWYBPP-ZDUSSCGKSA-N 1 1 335.429 0.874 20 30 ECEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000934467479 611801833 /nfs/dbraw/zinc/80/18/33/611801833.db2.gz QWBCCGTXYWYBPP-ZDUSSCGKSA-N 1 1 335.429 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000950645368 611814687 /nfs/dbraw/zinc/81/46/87/611814687.db2.gz SSDHQORMRBMMNC-BMFZPTHFSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000950645368 611814689 /nfs/dbraw/zinc/81/46/89/611814689.db2.gz SSDHQORMRBMMNC-BMFZPTHFSA-N 1 1 328.416 0.689 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC000949095624 611852294 /nfs/dbraw/zinc/85/22/94/611852294.db2.gz SUTGXIZLKWRWFM-IRXDYDNUSA-N 1 1 349.475 0.729 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCOC2(CC[NH+](CC(N)=O)CC2)C1 ZINC000949114922 611859571 /nfs/dbraw/zinc/85/95/71/611859571.db2.gz NBELZJCRNAEVGV-UHFFFAOYSA-N 1 1 346.431 0.466 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(CC)on1 ZINC000950755019 611890541 /nfs/dbraw/zinc/89/05/41/611890541.db2.gz BQMRZBCAHUKFFA-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(CC)on1 ZINC000950755019 611890543 /nfs/dbraw/zinc/89/05/43/611890543.db2.gz BQMRZBCAHUKFFA-BBRMVZONSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c(C)cnn1C ZINC000950755649 611891251 /nfs/dbraw/zinc/89/12/51/611891251.db2.gz QTOYIPIWBLLKHM-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c(C)cnn1C ZINC000950755649 611891253 /nfs/dbraw/zinc/89/12/53/611891253.db2.gz QTOYIPIWBLLKHM-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1ccoc1 ZINC000950755637 611891287 /nfs/dbraw/zinc/89/12/87/611891287.db2.gz QKTQIAQNFUHCRI-CVEARBPZSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1ccoc1 ZINC000950755637 611891290 /nfs/dbraw/zinc/89/12/90/611891290.db2.gz QKTQIAQNFUHCRI-CVEARBPZSA-N 1 1 329.400 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1CC2(CC2)C1 ZINC000950755885 611891911 /nfs/dbraw/zinc/89/19/11/611891911.db2.gz XAYYMJYLVZHMLJ-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1CC2(CC2)C1 ZINC000950755885 611891912 /nfs/dbraw/zinc/89/19/12/611891912.db2.gz XAYYMJYLVZHMLJ-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1ccc(C)o1 ZINC000950755935 611891936 /nfs/dbraw/zinc/89/19/36/611891936.db2.gz YFYFWTBEASKJLY-RDJZCZTQSA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1ccc(C)o1 ZINC000950755935 611891938 /nfs/dbraw/zinc/89/19/38/611891938.db2.gz YFYFWTBEASKJLY-RDJZCZTQSA-N 1 1 343.427 0.945 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)nc1 ZINC000949183906 611892621 /nfs/dbraw/zinc/89/26/21/611892621.db2.gz GLQIINYZTOEMPL-UKPHBRMFSA-N 1 1 340.427 0.591 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000950246171 611926652 /nfs/dbraw/zinc/92/66/52/611926652.db2.gz SCESLEGKYRLNPI-KWCYVHTRSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC000949366100 611953649 /nfs/dbraw/zinc/95/36/49/611953649.db2.gz UIYGDLMXBDQMKW-UHFFFAOYSA-N 1 1 344.415 0.816 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949446758 611983662 /nfs/dbraw/zinc/98/36/62/611983662.db2.gz BHTFENLUYJKMSM-GOSISDBHSA-N 1 1 347.459 0.619 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)C1 ZINC000949462345 611989244 /nfs/dbraw/zinc/98/92/44/611989244.db2.gz FACXMBJVUIVAID-UHFFFAOYSA-N 1 1 332.404 0.456 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC000949469130 611990807 /nfs/dbraw/zinc/99/08/07/611990807.db2.gz SNMLMHBOJSFVCU-UHFFFAOYSA-N 1 1 333.388 0.872 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC000949469130 611990809 /nfs/dbraw/zinc/99/08/09/611990809.db2.gz SNMLMHBOJSFVCU-UHFFFAOYSA-N 1 1 333.388 0.872 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cn(CC=C)nn3)CC2)C1 ZINC000949489422 612002483 /nfs/dbraw/zinc/00/24/83/612002483.db2.gz CPEKWWBZVMDMOH-UHFFFAOYSA-N 1 1 343.431 0.794 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)Cn3nnnc3C(C)C)CC2)C1 ZINC000949489438 612002556 /nfs/dbraw/zinc/00/25/56/612002556.db2.gz DEWQKPILGASMEE-UHFFFAOYSA-N 1 1 348.451 0.676 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)Cn3nnnc3C(C)C)CC2)C1 ZINC000949489438 612002559 /nfs/dbraw/zinc/00/25/59/612002559.db2.gz DEWQKPILGASMEE-UHFFFAOYSA-N 1 1 348.451 0.676 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000950465405 612030578 /nfs/dbraw/zinc/03/05/78/612030578.db2.gz IXXNANSKZUUVOG-CABCVRRESA-N 1 1 326.400 0.891 20 30 ECEDMO C=CCN1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1=O ZINC000950491234 612037673 /nfs/dbraw/zinc/03/76/73/612037673.db2.gz KQRINUUSTOYTEV-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnn(CC)n2)C1 ZINC000950533430 612057726 /nfs/dbraw/zinc/05/77/26/612057726.db2.gz FAPMNSUHHIUTMF-KRWDZBQOSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2cnn(CC)n2)C1 ZINC000950533430 612057727 /nfs/dbraw/zinc/05/77/27/612057727.db2.gz FAPMNSUHHIUTMF-KRWDZBQOSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cncnc2)C1 ZINC000950534880 612058254 /nfs/dbraw/zinc/05/82/54/612058254.db2.gz GCMDBEYGRIMQKX-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cncnc2)C1 ZINC000950534880 612058255 /nfs/dbraw/zinc/05/82/55/612058255.db2.gz GCMDBEYGRIMQKX-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000951223589 612088373 /nfs/dbraw/zinc/08/83/73/612088373.db2.gz LFOYZSYUHRTUGD-CABCVRRESA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000951223589 612088377 /nfs/dbraw/zinc/08/83/77/612088377.db2.gz LFOYZSYUHRTUGD-CABCVRRESA-N 1 1 329.404 0.228 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1)CC2 ZINC000951852923 612096444 /nfs/dbraw/zinc/09/64/44/612096444.db2.gz QRWAZKBYGOPYAW-NVXWUHKLSA-N 1 1 340.427 0.884 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000951875580 612107342 /nfs/dbraw/zinc/10/73/42/612107342.db2.gz ILHJDPKOHNMDKT-NEPJUHHUSA-N 1 1 333.392 0.617 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)Cn2cc[nH+]c2C)c1 ZINC000952014653 612177318 /nfs/dbraw/zinc/17/73/18/612177318.db2.gz QXDLHZYSSHCQDS-INIZCTEOSA-N 1 1 337.383 0.599 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000952033521 612191974 /nfs/dbraw/zinc/19/19/74/612191974.db2.gz GFPXNCBCUOLHKO-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC000951376309 612192152 /nfs/dbraw/zinc/19/21/52/612192152.db2.gz BXHCWNRYEGHGTB-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000952281959 612344253 /nfs/dbraw/zinc/34/42/53/612344253.db2.gz XPLDQNFVYYSYOJ-HNNXBMFYSA-N 1 1 343.431 0.806 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000952281882 612344360 /nfs/dbraw/zinc/34/43/60/612344360.db2.gz RWRRLWUHOGRECC-CQSZACIVSA-N 1 1 343.431 0.806 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC000955263467 612392803 /nfs/dbraw/zinc/39/28/03/612392803.db2.gz DYBAYRFDNJKJCO-AWEZNQCLSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccnc(F)c2)C1 ZINC000954630355 612467313 /nfs/dbraw/zinc/46/73/13/612467313.db2.gz CRBMAGUAGITXMT-HNNXBMFYSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccnc(F)c2)C1 ZINC000954630355 612467319 /nfs/dbraw/zinc/46/73/19/612467319.db2.gz CRBMAGUAGITXMT-HNNXBMFYSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000954630308 612467512 /nfs/dbraw/zinc/46/75/12/612467512.db2.gz ANYQVORMGCXKND-LPHOPBHVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000954630308 612467516 /nfs/dbraw/zinc/46/75/16/612467516.db2.gz ANYQVORMGCXKND-LPHOPBHVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2=C(C)OCCC2)C1 ZINC000954630740 612468180 /nfs/dbraw/zinc/46/81/80/612468180.db2.gz IAHDJJFBFBGMHY-KRWDZBQOSA-N 1 1 345.443 0.838 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2=C(C)OCCC2)C1 ZINC000954630740 612468185 /nfs/dbraw/zinc/46/81/85/612468185.db2.gz IAHDJJFBFBGMHY-KRWDZBQOSA-N 1 1 345.443 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCOCC2)C1 ZINC000954631102 612469314 /nfs/dbraw/zinc/46/93/14/612469314.db2.gz OZPVYTZTUWNBRP-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCOCC2)C1 ZINC000954631102 612469317 /nfs/dbraw/zinc/46/93/17/612469317.db2.gz OZPVYTZTUWNBRP-RDJZCZTQSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2conc2C)C1 ZINC000954631087 612469503 /nfs/dbraw/zinc/46/95/03/612469503.db2.gz OPILOYFHLMMHOP-HNNXBMFYSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2conc2C)C1 ZINC000954631087 612469506 /nfs/dbraw/zinc/46/95/06/612469506.db2.gz OPILOYFHLMMHOP-HNNXBMFYSA-N 1 1 330.388 0.363 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC000955350863 612484014 /nfs/dbraw/zinc/48/40/14/612484014.db2.gz UFNPVQVHAFSREO-SUMWQHHRSA-N 1 1 340.427 0.543 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000951700415 612484498 /nfs/dbraw/zinc/48/44/98/612484498.db2.gz ZMTVLFJZYAWUGM-VYDXJSESSA-N 1 1 345.447 0.891 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000955365662 612504087 /nfs/dbraw/zinc/50/40/87/612504087.db2.gz UZCBVXNQOMRUTM-CABCVRRESA-N 1 1 332.404 0.452 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1csc(C)n1 ZINC000951721427 612506786 /nfs/dbraw/zinc/50/67/86/612506786.db2.gz RNLYGJKXTRRSKE-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1csc(C)n1 ZINC000951721427 612506789 /nfs/dbraw/zinc/50/67/89/612506789.db2.gz RNLYGJKXTRRSKE-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccccc2OCC#N)CC1 ZINC000193876197 612635325 /nfs/dbraw/zinc/63/53/25/612635325.db2.gz DFQIRGLULGDBJX-UHFFFAOYSA-N 1 1 330.388 0.483 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccc[nH]1 ZINC000956074160 612677878 /nfs/dbraw/zinc/67/78/78/612677878.db2.gz UIEVUHKBTFEEMM-HOCLYGCPSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccc[nH]1 ZINC000956074160 612677880 /nfs/dbraw/zinc/67/78/80/612677880.db2.gz UIEVUHKBTFEEMM-HOCLYGCPSA-N 1 1 328.416 0.833 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956935143 612718032 /nfs/dbraw/zinc/71/80/32/612718032.db2.gz QAOQQBIYFFQQFM-GUYCJALGSA-N 1 1 329.404 0.559 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954836765 612729857 /nfs/dbraw/zinc/72/98/57/612729857.db2.gz PURDTGTWTMLMLN-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC000954219024 612776287 /nfs/dbraw/zinc/77/62/87/612776287.db2.gz LDXCXYKMHCBNRV-OLZOCXBDSA-N 1 1 325.359 0.408 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC000954219024 612776288 /nfs/dbraw/zinc/77/62/88/612776288.db2.gz LDXCXYKMHCBNRV-OLZOCXBDSA-N 1 1 325.359 0.408 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000954393867 612889342 /nfs/dbraw/zinc/88/93/42/612889342.db2.gz GXYJBVXABPDNND-HFTRVMKXSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C2)C1 ZINC001041779238 782186833 /nfs/dbraw/zinc/18/68/33/782186833.db2.gz OFLHWUTZMFWZSL-GOSISDBHSA-N 1 1 338.415 0.981 20 30 ECEDMO Cc1nc(C#N)cnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738155 720745036 /nfs/dbraw/zinc/74/50/36/720745036.db2.gz DVMBJVYSQKMWFA-CABCVRRESA-N 1 1 337.387 0.789 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C#N)c(OC)n3)CC[C@H]2C1 ZINC001164849767 720843910 /nfs/dbraw/zinc/84/39/10/720843910.db2.gz CUZQMGGLZKDSSK-ZFWWWQNUSA-N 1 1 347.419 0.530 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C#N)cc3C#N)CC[C@@H]2C1 ZINC001164855730 720845820 /nfs/dbraw/zinc/84/58/20/720845820.db2.gz UVIZYURHEADBDR-NVXWUHKLSA-N 1 1 341.415 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC001041782439 782195262 /nfs/dbraw/zinc/19/52/62/782195262.db2.gz XRDYXYXUAYCOGS-QAPCUYQASA-N 1 1 332.448 0.867 20 30 ECEDMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001024933273 738408209 /nfs/dbraw/zinc/40/82/09/738408209.db2.gz ZKRKTQIFFCYABF-GFCCVEGCSA-N 1 1 328.380 0.194 20 30 ECEDMO Cc1cc(NC[C@@H](C)N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001104539040 738447564 /nfs/dbraw/zinc/44/75/64/738447564.db2.gz SGJPFSYFIYBCAL-CJNGLKHVSA-N 1 1 331.420 0.273 20 30 ECEDMO Cc1cc(NC[C@@H](C)N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001104539040 738447569 /nfs/dbraw/zinc/44/75/69/738447569.db2.gz SGJPFSYFIYBCAL-CJNGLKHVSA-N 1 1 331.420 0.273 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@H](C)CC)no1 ZINC001114941572 731474227 /nfs/dbraw/zinc/47/42/27/731474227.db2.gz CXZLBPOAZBCNAH-FJZAXULXSA-N 1 1 344.415 0.598 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@H](C)CC)no1 ZINC001114941572 731474229 /nfs/dbraw/zinc/47/42/29/731474229.db2.gz CXZLBPOAZBCNAH-FJZAXULXSA-N 1 1 344.415 0.598 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)CCc2cncc(OC)c2)[C@H](OC)C1 ZINC001213147034 731508608 /nfs/dbraw/zinc/50/86/08/731508608.db2.gz HIEJILGYSQWYIU-IAGOWNOFSA-N 1 1 331.416 0.862 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CCc2cncc(OC)c2)[C@H](OC)C1 ZINC001213147034 731508610 /nfs/dbraw/zinc/50/86/10/731508610.db2.gz HIEJILGYSQWYIU-IAGOWNOFSA-N 1 1 331.416 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)c1nccc(SC)n1 ZINC001100388181 731521012 /nfs/dbraw/zinc/52/10/12/731521012.db2.gz FENZGNMPTGXCCB-ZDUSSCGKSA-N 1 1 333.461 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)c1nccc(SC)n1 ZINC001100388181 731521015 /nfs/dbraw/zinc/52/10/15/731521015.db2.gz FENZGNMPTGXCCB-ZDUSSCGKSA-N 1 1 333.461 0.849 20 30 ECEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000969150408 731526640 /nfs/dbraw/zinc/52/66/40/731526640.db2.gz HPBMJIMMFDWNAI-KGLIPLIRSA-N 1 1 327.450 0.062 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041792981 782219708 /nfs/dbraw/zinc/21/97/08/782219708.db2.gz YFXAJCDWXODWNZ-GOSISDBHSA-N 1 1 329.400 0.624 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 ZINC001125280394 731577118 /nfs/dbraw/zinc/57/71/18/731577118.db2.gz RIJCXCJNYVADRJ-DZGCQCFKSA-N 1 1 346.435 0.088 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCO[C@H](CNc2cncc(C#N)n2)C1 ZINC001111957648 738529622 /nfs/dbraw/zinc/52/96/22/738529622.db2.gz ZPHKPOQSQZMNKN-CQSZACIVSA-N 1 1 346.435 0.718 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C)no3)C2)C1=O ZINC000969288413 731680007 /nfs/dbraw/zinc/68/00/07/731680007.db2.gz XRISEBSRWRRBAI-TZMCWYRMSA-N 1 1 332.404 0.820 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001211495517 731720632 /nfs/dbraw/zinc/72/06/32/731720632.db2.gz OHQFKCVMHHRYDJ-RBSFLKMASA-N 1 1 335.448 0.542 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001211495517 731720633 /nfs/dbraw/zinc/72/06/33/731720633.db2.gz OHQFKCVMHHRYDJ-RBSFLKMASA-N 1 1 335.448 0.542 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969408955 731813307 /nfs/dbraw/zinc/81/33/07/731813307.db2.gz AGIMBORJRAQIKH-IINYFYTJSA-N 1 1 332.429 0.835 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001041808240 782244035 /nfs/dbraw/zinc/24/40/35/782244035.db2.gz BRFWDGJFLXMWBI-DAXOMENPSA-N 1 1 329.404 0.225 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001041808240 782244040 /nfs/dbraw/zinc/24/40/40/782244040.db2.gz BRFWDGJFLXMWBI-DAXOMENPSA-N 1 1 329.404 0.225 20 30 ECEDMO C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001041809083 782246286 /nfs/dbraw/zinc/24/62/86/782246286.db2.gz UWNBOHUEFQLSGX-KCPJHIHWSA-N 1 1 347.394 0.364 20 30 ECEDMO C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001041809083 782246289 /nfs/dbraw/zinc/24/62/89/782246289.db2.gz UWNBOHUEFQLSGX-KCPJHIHWSA-N 1 1 347.394 0.364 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000969463598 731910179 /nfs/dbraw/zinc/91/01/79/731910179.db2.gz QJBUCGCWEBSZCU-LRDDRELGSA-N 1 1 341.415 0.723 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cn(C)cn3)C(C)(C)C2)C1=O ZINC000973035116 738567939 /nfs/dbraw/zinc/56/79/39/738567939.db2.gz XCOJXSBKUZDTTI-CABCVRRESA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cn(C)cn3)C(C)(C)C2)C1=O ZINC000973035116 738567941 /nfs/dbraw/zinc/56/79/41/738567941.db2.gz XCOJXSBKUZDTTI-CABCVRRESA-N 1 1 345.447 0.647 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046148 738578139 /nfs/dbraw/zinc/57/81/39/738578139.db2.gz APOKUXPTFOCWQG-XHDPSFHLSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046148 738578142 /nfs/dbraw/zinc/57/81/42/738578142.db2.gz APOKUXPTFOCWQG-XHDPSFHLSA-N 1 1 343.431 0.994 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ccn(C)n2)C1 ZINC000969869667 732467502 /nfs/dbraw/zinc/46/75/02/732467502.db2.gz SBZRMFHTVADVBX-PBHICJAKSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ccn(C)n2)C1 ZINC000969869667 732467505 /nfs/dbraw/zinc/46/75/05/732467505.db2.gz SBZRMFHTVADVBX-PBHICJAKSA-N 1 1 329.448 0.454 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncnn2CCF)C1 ZINC000970017769 732628367 /nfs/dbraw/zinc/62/83/67/732628367.db2.gz ZLRHHPHBEVDXNV-MCIONIFRSA-N 1 1 337.399 0.529 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)ncc4C3)[C@H]2C1 ZINC001083194097 732654110 /nfs/dbraw/zinc/65/41/10/732654110.db2.gz WAJIGGWVKREQJS-RYQLBKOJSA-N 1 1 342.443 0.689 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001041823721 782275971 /nfs/dbraw/zinc/27/59/71/782275971.db2.gz OKVYQMXUXCEJBW-KDOFPFPSSA-N 1 1 348.447 0.865 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cncn3C)C2)C1=O ZINC000970077822 732726995 /nfs/dbraw/zinc/72/69/95/732726995.db2.gz XHTOVGSNFAORPH-TZMCWYRMSA-N 1 1 331.420 0.257 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3-n3cnnn3)C2)C1 ZINC001041822200 782272248 /nfs/dbraw/zinc/27/22/48/782272248.db2.gz PSKYZDSPANZWDL-GOSISDBHSA-N 1 1 336.399 0.834 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836243 782312249 /nfs/dbraw/zinc/31/22/49/782312249.db2.gz RMUQIFRWUJNBLG-HIFRSBDPSA-N 1 1 327.450 0.179 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001041836464 782312910 /nfs/dbraw/zinc/31/29/10/782312910.db2.gz XDPAKKQFLRJOET-HOCLYGCPSA-N 1 1 341.477 0.569 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccc(C#N)cn1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125327158 733046818 /nfs/dbraw/zinc/04/68/18/733046818.db2.gz GZKZHOLVVKNPOH-JKSUJKDBSA-N 1 1 345.447 0.693 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC001041839109 782316226 /nfs/dbraw/zinc/31/62/26/782316226.db2.gz IAWUDCXJJPDJNU-AEFFLSMTSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 ZINC001039149729 733141379 /nfs/dbraw/zinc/14/13/79/733141379.db2.gz FLXZIOXLNFGCCI-INIZCTEOSA-N 1 1 334.464 0.165 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC001041843664 782324956 /nfs/dbraw/zinc/32/49/56/782324956.db2.gz VFJTXNQCOOTPPA-QAPCUYQASA-N 1 1 327.432 0.788 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CCN([C@@H](C)C(N)=O)C3)C2)CC1 ZINC001041845176 782326848 /nfs/dbraw/zinc/32/68/48/782326848.db2.gz UQLRHQZBWVJANW-KXBFYZLASA-N 1 1 346.475 0.130 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3ncccn3)C2)nn1 ZINC000970206572 733202000 /nfs/dbraw/zinc/20/20/00/733202000.db2.gz YGUUQSJSDQVCFU-QWHCGFSZSA-N 1 1 327.392 0.819 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC000970223557 733234206 /nfs/dbraw/zinc/23/42/06/733234206.db2.gz PFTNAEUBXBSRIU-KBPBESRZSA-N 1 1 330.432 0.997 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970263888 733272244 /nfs/dbraw/zinc/27/22/44/733272244.db2.gz GORPWJPZIAIKTJ-XHDPSFHLSA-N 1 1 344.390 0.770 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970271316 733286178 /nfs/dbraw/zinc/28/61/78/733286178.db2.gz NRSGQQXYCGBPEU-WBMJQRKESA-N 1 1 341.415 0.518 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970271871 733287341 /nfs/dbraw/zinc/28/73/41/733287341.db2.gz XZUNKMKESDXXBD-QMTHXVAHSA-N 1 1 347.444 0.580 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)CCOC)CC2)cn1 ZINC001098536585 733355394 /nfs/dbraw/zinc/35/53/94/733355394.db2.gz NGSPPKXACIQDBQ-UHFFFAOYSA-N 1 1 331.416 0.608 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cc(C)ncc1C#N ZINC001104253270 733367770 /nfs/dbraw/zinc/36/77/70/733367770.db2.gz JPKLJLNZJVMVGW-KSSFIOAISA-N 1 1 339.443 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1cc(C)ncc1C#N ZINC001104253270 733367773 /nfs/dbraw/zinc/36/77/73/733367773.db2.gz JPKLJLNZJVMVGW-KSSFIOAISA-N 1 1 339.443 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3n[nH]cc3F)C2)C1=O ZINC000970386267 733454932 /nfs/dbraw/zinc/45/49/32/733454932.db2.gz ZJYUEBHYEDQUEV-GXFFZTMASA-N 1 1 335.383 0.386 20 30 ECEDMO C=CCOCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnns2)C1 ZINC001149248081 733459263 /nfs/dbraw/zinc/45/92/63/733459263.db2.gz OHAOBUIASKYHSB-LBPRGKRZSA-N 1 1 326.422 0.561 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970432515 733515070 /nfs/dbraw/zinc/51/50/70/733515070.db2.gz ZRSTVSVWIJZKLW-XYPHTWIQSA-N 1 1 325.412 0.596 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)n3CC)C2)nc1 ZINC000970517887 733637950 /nfs/dbraw/zinc/63/79/50/733637950.db2.gz DAVUNHQMXRQWGO-OAHLLOKOSA-N 1 1 338.415 0.987 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H](C)C(=O)NC)C2)cc1 ZINC000970539101 733657963 /nfs/dbraw/zinc/65/79/63/733657963.db2.gz YZJFVJDZWOMSEI-ZIAGYGMSSA-N 1 1 343.427 0.883 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3cn(C)nc3C)C2)nn1 ZINC000970548831 733665872 /nfs/dbraw/zinc/66/58/72/733665872.db2.gz SIRNAEDCOLGFOV-LBPRGKRZSA-N 1 1 343.435 0.756 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1 ZINC001098538382 733691106 /nfs/dbraw/zinc/69/11/06/733691106.db2.gz ONVHMMSGAIWIOD-QGZVFWFLSA-N 1 1 337.464 0.456 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cccnn3)C2)C1=O ZINC000970637023 733767284 /nfs/dbraw/zinc/76/72/84/733767284.db2.gz OEVVHMXYQZJFMX-IUODEOHRSA-N 1 1 329.404 0.314 20 30 ECEDMO N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000970754114 733910785 /nfs/dbraw/zinc/91/07/85/733910785.db2.gz GNDZVYZACNBYGN-CVEARBPZSA-N 1 1 347.440 0.826 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC000970763224 733925301 /nfs/dbraw/zinc/92/53/01/733925301.db2.gz JVGLTHCEGUSUCT-CHWSQXEVSA-N 1 1 328.416 0.590 20 30 ECEDMO N#C/N=C1\SCCN1Cc1ccc(-n2cnc(C[NH3+])cc2=N)nc1 ZINC001167351693 733980879 /nfs/dbraw/zinc/98/08/79/733980879.db2.gz ZMDDZPBXISSHRT-FJWPDURZSA-N 1 1 340.416 0.591 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(CCC)C3)[C@H]2C1 ZINC001083208907 734116453 /nfs/dbraw/zinc/11/64/53/734116453.db2.gz HZANABUMNGGGHG-HRCADAONSA-N 1 1 333.432 0.180 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CNc3ccc(C#N)nc3)CC2)C1 ZINC001067476900 734201561 /nfs/dbraw/zinc/20/15/61/734201561.db2.gz IBWUPOYKWVZMSX-CQSZACIVSA-N 1 1 343.431 0.670 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CNc3cnc(C#N)cn3)CC2)C1 ZINC001067476933 734203363 /nfs/dbraw/zinc/20/33/63/734203363.db2.gz KAOYEFDJBPSNBM-ZDUSSCGKSA-N 1 1 344.419 0.065 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cnn(C)c3)C2)C1=O ZINC000971049924 734212255 /nfs/dbraw/zinc/21/22/55/734212255.db2.gz VXHYTVPFLGYNMQ-GJZGRUSLSA-N 1 1 331.420 0.353 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001078161274 782405089 /nfs/dbraw/zinc/40/50/89/782405089.db2.gz MOCXOVULRKJHEH-NUEKZKHPSA-N 1 1 335.448 0.515 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)Nc2ccnc(C#N)n2)C1 ZINC001098210091 734286693 /nfs/dbraw/zinc/28/66/93/734286693.db2.gz VUSIVKJSIACLKI-UONOGXRCSA-N 1 1 330.436 0.809 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(c3cncc(C#N)n3)CCO2)C1 ZINC001104322265 734300134 /nfs/dbraw/zinc/30/01/34/734300134.db2.gz ZDAWCHUEFNIJRC-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2ccc(C#N)c(C)n2)CCO1 ZINC001104323454 734304102 /nfs/dbraw/zinc/30/41/02/734304102.db2.gz QUTJJBOVTKOPIC-INIZCTEOSA-N 1 1 345.447 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)C1=O ZINC000971167364 734332099 /nfs/dbraw/zinc/33/20/99/734332099.db2.gz ROKYNWRQTIXFMM-GOEBONIOSA-N 1 1 345.447 0.662 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000971210378 734362363 /nfs/dbraw/zinc/36/23/63/734362363.db2.gz GZBHGQFSCAYSGE-VXGBXAGGSA-N 1 1 335.408 0.009 20 30 ECEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC001114987444 734363331 /nfs/dbraw/zinc/36/33/31/734363331.db2.gz ZYVWJWQIGJEOQC-VIKVFOODSA-N 1 1 336.436 0.555 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C)n3)C2)C1=O ZINC000971214145 734365032 /nfs/dbraw/zinc/36/50/32/734365032.db2.gz PMQVKFNYLHXDMP-HIFRSBDPSA-N 1 1 331.420 0.651 20 30 ECEDMO CN1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)C1 ZINC000971272700 734415111 /nfs/dbraw/zinc/41/51/11/734415111.db2.gz YOEOLNJANZUDAI-MSOLQXFVSA-N 1 1 342.443 0.922 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cn(C)cn3)C2)C1=O ZINC000971342540 734458700 /nfs/dbraw/zinc/45/87/00/734458700.db2.gz CPJXJQUCFCHMJN-UKRRQHHQSA-N 1 1 331.420 0.353 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CC=C(C)C)C[C@@H]32)nn1 ZINC001083218048 734568318 /nfs/dbraw/zinc/56/83/18/734568318.db2.gz ZDBQNKBNGYWMLW-JKSUJKDBSA-N 1 1 331.420 0.956 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CC=C(C)C)C[C@@H]32)nn1 ZINC001083218048 734568319 /nfs/dbraw/zinc/56/83/19/734568319.db2.gz ZDBQNKBNGYWMLW-JKSUJKDBSA-N 1 1 331.420 0.956 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CN=NC1=O ZINC001025224562 738835587 /nfs/dbraw/zinc/83/55/87/738835587.db2.gz RJIUOPWUYCBGIB-CABCVRRESA-N 1 1 331.420 0.853 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC4)C[C@@H]32)nn1 ZINC001083219524 734672585 /nfs/dbraw/zinc/67/25/85/734672585.db2.gz AQSLYABSYZJRIR-JKSUJKDBSA-N 1 1 331.420 0.789 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](C)OC)C[C@@H]32)nn1 ZINC001083219826 734675418 /nfs/dbraw/zinc/67/54/18/734675418.db2.gz PMNOKYAYESFFTP-CWRNSKLLSA-N 1 1 349.435 0.414 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cnn(CC)n3)C2)C1=O ZINC000971494332 734686142 /nfs/dbraw/zinc/68/61/42/734686142.db2.gz PETMARHNVHUPKZ-DZGCQCFKSA-N 1 1 346.435 0.231 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000973181674 738873760 /nfs/dbraw/zinc/87/37/60/738873760.db2.gz YOQFGTXFXOQCKW-MRVWCRGKSA-N 1 1 329.404 0.605 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)Nc2cncc(C#N)n2)C1 ZINC001098214932 735171583 /nfs/dbraw/zinc/17/15/83/735171583.db2.gz CDMIUWNGCWWOQL-GXTWGEPZSA-N 1 1 332.408 0.374 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)Nc2nccnc2C#N)C1 ZINC001098214945 735196371 /nfs/dbraw/zinc/19/63/71/735196371.db2.gz CGOLYQRQINDJLK-TZMCWYRMSA-N 1 1 332.408 0.374 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1 ZINC000971851123 735236760 /nfs/dbraw/zinc/23/67/60/735236760.db2.gz JDLHWSHSBKGJML-XJKCOSOUSA-N 1 1 341.415 0.511 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000972086850 735626904 /nfs/dbraw/zinc/62/69/04/735626904.db2.gz ZGVGXDISWXJCOS-DJIMGWMZSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)COCC)C1 ZINC001059847846 751356741 /nfs/dbraw/zinc/35/67/41/751356741.db2.gz WFWMPULKAARZQT-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)COCC)C1 ZINC001059847846 751356747 /nfs/dbraw/zinc/35/67/47/751356747.db2.gz WFWMPULKAARZQT-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNS(C)(=O)=O)C2 ZINC001111764887 735685524 /nfs/dbraw/zinc/68/55/24/735685524.db2.gz HRSFXYGVHXZQTP-HOCLYGCPSA-N 1 1 343.493 0.863 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC000972246144 735834099 /nfs/dbraw/zinc/83/40/99/735834099.db2.gz OGVGDNGZXOYMDC-JSGCOSHPSA-N 1 1 347.419 0.059 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341833 735972795 /nfs/dbraw/zinc/97/27/95/735972795.db2.gz ISWPYYIBEXDFOH-XHSDSOJGSA-N 1 1 326.400 0.712 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341833 735972798 /nfs/dbraw/zinc/97/27/98/735972798.db2.gz ISWPYYIBEXDFOH-XHSDSOJGSA-N 1 1 326.400 0.712 20 30 ECEDMO CO[C@H](C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972348019 735982841 /nfs/dbraw/zinc/98/28/41/735982841.db2.gz FRNCOHYJJJQBQQ-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO CO[C@H](C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972348019 735982842 /nfs/dbraw/zinc/98/28/42/735982842.db2.gz FRNCOHYJJJQBQQ-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nn(CC)c3C)[C@H]2C1 ZINC001083250890 736085951 /nfs/dbraw/zinc/08/59/51/736085951.db2.gz PLCKILVVCFFKSF-ZWKOTPCHSA-N 1 1 344.459 0.997 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972406968 736134829 /nfs/dbraw/zinc/13/48/29/736134829.db2.gz JAWUDRGLWMGVTC-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972406968 736134834 /nfs/dbraw/zinc/13/48/34/736134834.db2.gz JAWUDRGLWMGVTC-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3ccccc3=O)C2)C1 ZINC000972409617 736142112 /nfs/dbraw/zinc/14/21/12/736142112.db2.gz RJKZPJBRICRLBX-LJQANCHMSA-N 1 1 343.427 0.565 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3ccccc3=O)C2)C1 ZINC000972409617 736142113 /nfs/dbraw/zinc/14/21/13/736142113.db2.gz RJKZPJBRICRLBX-LJQANCHMSA-N 1 1 343.427 0.565 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nnn3CC)C2)C1 ZINC000972410104 736142422 /nfs/dbraw/zinc/14/24/22/736142422.db2.gz RKVSTNWDEPIQJM-QGZVFWFLSA-N 1 1 331.420 0.547 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nnn3CC)C2)C1 ZINC000972410104 736142425 /nfs/dbraw/zinc/14/24/25/736142425.db2.gz RKVSTNWDEPIQJM-QGZVFWFLSA-N 1 1 331.420 0.547 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972408635 736145771 /nfs/dbraw/zinc/14/57/71/736145771.db2.gz LVCJSLHERWLHDS-GOSISDBHSA-N 1 1 343.431 0.482 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972408635 736145772 /nfs/dbraw/zinc/14/57/72/736145772.db2.gz LVCJSLHERWLHDS-GOSISDBHSA-N 1 1 343.431 0.482 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3nc(CC)c[nH]3)C2)C1 ZINC000972420294 736162961 /nfs/dbraw/zinc/16/29/61/736162961.db2.gz RNSFYXDJUZWJOI-SFHVURJKSA-N 1 1 330.432 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3nc(CC)c[nH]3)C2)C1 ZINC000972420294 736162964 /nfs/dbraw/zinc/16/29/64/736162964.db2.gz RNSFYXDJUZWJOI-SFHVURJKSA-N 1 1 330.432 0.841 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)C(C)(C)NC(=O)NC)CC1 ZINC001098571917 736200613 /nfs/dbraw/zinc/20/06/13/736200613.db2.gz YUSUVVODKHSWJH-UHFFFAOYSA-N 1 1 340.468 0.555 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000972443810 736209314 /nfs/dbraw/zinc/20/93/14/736209314.db2.gz MOLYBYCRCFGHRB-YJBOKZPZSA-N 1 1 335.448 0.782 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(CC#N)CCO2 ZINC000972444397 736211328 /nfs/dbraw/zinc/21/13/28/736211328.db2.gz RXSZMVRMARZTGV-WMZOPIPTSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC000972458244 736251729 /nfs/dbraw/zinc/25/17/29/736251729.db2.gz IRDLFHCNYWUCHJ-QGZVFWFLSA-N 1 1 340.387 0.293 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC000972458244 736251732 /nfs/dbraw/zinc/25/17/32/736251732.db2.gz IRDLFHCNYWUCHJ-QGZVFWFLSA-N 1 1 340.387 0.293 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(CCOC3CCC3)C[C@H]2O)CC1 ZINC001078226980 782521283 /nfs/dbraw/zinc/52/12/83/782521283.db2.gz CLPUPZRVYKORHU-QZTJIDSGSA-N 1 1 349.475 0.062 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972479549 736302166 /nfs/dbraw/zinc/30/21/66/736302166.db2.gz CFETXWFVGRRZLF-KRWDZBQOSA-N 1 1 333.388 0.872 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCNS(C)(=O)=O)C1 ZINC001111767835 736308798 /nfs/dbraw/zinc/30/87/98/736308798.db2.gz AFZNKVHTDQYSMC-HOCLYGCPSA-N 1 1 343.493 0.863 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nn(C)c3C)C2)C1 ZINC000972483865 736319799 /nfs/dbraw/zinc/31/97/99/736319799.db2.gz KLTIMMYZFZWHKQ-SFHVURJKSA-N 1 1 330.432 0.977 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nn(C)c3C)C2)C1 ZINC000972483865 736319804 /nfs/dbraw/zinc/31/98/04/736319804.db2.gz KLTIMMYZFZWHKQ-SFHVURJKSA-N 1 1 330.432 0.977 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)c3cnc[nH]3)C2)C1=O ZINC001022979058 736350930 /nfs/dbraw/zinc/35/09/30/736350930.db2.gz IBNZLCAZFIOCRB-HZSPNIEDSA-N 1 1 345.447 0.711 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nonc2C)C1 ZINC001022989936 736365731 /nfs/dbraw/zinc/36/57/31/736365731.db2.gz VRJTXJURFVQAKE-BETUJISGSA-N 1 1 341.371 0.836 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 ZINC000972494703 736395268 /nfs/dbraw/zinc/39/52/68/736395268.db2.gz UEWUJGXOQMSIMW-KRWDZBQOSA-N 1 1 334.420 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 ZINC000972494703 736395270 /nfs/dbraw/zinc/39/52/70/736395270.db2.gz UEWUJGXOQMSIMW-KRWDZBQOSA-N 1 1 334.420 0.922 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cncn3C)C2)nn1 ZINC000972499684 736416562 /nfs/dbraw/zinc/41/65/62/736416562.db2.gz FDRAZWGJUMDZQB-ZDUSSCGKSA-N 1 1 329.408 0.544 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cncn3C)C2)nn1 ZINC000972499684 736416564 /nfs/dbraw/zinc/41/65/64/736416564.db2.gz FDRAZWGJUMDZQB-ZDUSSCGKSA-N 1 1 329.408 0.544 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)CC1 ZINC001098575232 736491453 /nfs/dbraw/zinc/49/14/53/736491453.db2.gz HRXSBDRVWFUZFN-HNNXBMFYSA-N 1 1 335.448 0.163 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)CC1 ZINC001098575343 736496948 /nfs/dbraw/zinc/49/69/48/736496948.db2.gz LKJBBCGGSVYYPA-OAHLLOKOSA-N 1 1 337.464 0.716 20 30 ECEDMO C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000972524661 736569545 /nfs/dbraw/zinc/56/95/45/736569545.db2.gz VHSOTMICTGEISY-APWZRJJASA-N 1 1 342.443 0.690 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000972526967 736582455 /nfs/dbraw/zinc/58/24/55/736582455.db2.gz NSQSOLXZSGUWSK-NWDGAFQWSA-N 1 1 335.857 0.306 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000972526967 736582458 /nfs/dbraw/zinc/58/24/58/736582458.db2.gz NSQSOLXZSGUWSK-NWDGAFQWSA-N 1 1 335.857 0.306 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cocn3)C2)C1=O ZINC001023275083 736640346 /nfs/dbraw/zinc/64/03/46/736640346.db2.gz GBNHIEWRNIPWNZ-ZFWWWQNUSA-N 1 1 332.404 0.903 20 30 ECEDMO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001023295717 736658627 /nfs/dbraw/zinc/65/86/27/736658627.db2.gz HHUABKHQXIRUFT-GFCCVEGCSA-N 1 1 327.392 0.657 20 30 ECEDMO Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001023295717 736658628 /nfs/dbraw/zinc/65/86/28/736658628.db2.gz HHUABKHQXIRUFT-GFCCVEGCSA-N 1 1 327.392 0.657 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@@H](C)O)CCO3)c1 ZINC000972547182 736667875 /nfs/dbraw/zinc/66/78/75/736667875.db2.gz WUYKFFOOXSOREB-RDTXWAMCSA-N 1 1 329.400 0.361 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@@H](C)O)CCO3)c1 ZINC000972547182 736667879 /nfs/dbraw/zinc/66/78/79/736667879.db2.gz WUYKFFOOXSOREB-RDTXWAMCSA-N 1 1 329.400 0.361 20 30 ECEDMO Cn1nncc1C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023313823 736671803 /nfs/dbraw/zinc/67/18/03/736671803.db2.gz CJPSUAPNUCCSJX-LBPRGKRZSA-N 1 1 327.392 0.657 20 30 ECEDMO Cn1nncc1C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023313823 736671804 /nfs/dbraw/zinc/67/18/04/736671804.db2.gz CJPSUAPNUCCSJX-LBPRGKRZSA-N 1 1 327.392 0.657 20 30 ECEDMO CN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001023320173 736680067 /nfs/dbraw/zinc/68/00/67/736680067.db2.gz VBIBSYJWFRDFPW-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3ncn(C)n3)C2)C1=O ZINC001023354332 736730063 /nfs/dbraw/zinc/73/00/63/736730063.db2.gz GAPSTEKXDYGFIG-KGLIPLIRSA-N 1 1 346.435 0.044 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972555292 736739686 /nfs/dbraw/zinc/73/96/86/736739686.db2.gz WSNIBJIUYBHHNQ-KRWDZBQOSA-N 1 1 330.388 0.054 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972555292 736739690 /nfs/dbraw/zinc/73/96/90/736739690.db2.gz WSNIBJIUYBHHNQ-KRWDZBQOSA-N 1 1 330.388 0.054 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001023445367 736842460 /nfs/dbraw/zinc/84/24/60/736842460.db2.gz NPDOIBHMGPMMGN-CYBMUJFWSA-N 1 1 332.404 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001023447129 736845750 /nfs/dbraw/zinc/84/57/50/736845750.db2.gz GXUGJZOLQNZRRO-LLVKDONJSA-N 1 1 325.390 0.002 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@]2(C1)CN(CC#N)CCO2 ZINC000972574428 736891936 /nfs/dbraw/zinc/89/19/36/736891936.db2.gz ZRYPDVDROHNLDE-KRWDZBQOSA-N 1 1 331.420 0.833 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001023503030 736928541 /nfs/dbraw/zinc/92/85/41/736928541.db2.gz LBFGDGINMRJGAT-HIFRSBDPSA-N 1 1 329.404 0.217 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](CCOC)CCO3)nn1 ZINC000972590325 737004034 /nfs/dbraw/zinc/00/40/34/737004034.db2.gz PMFGRURHPGVIEV-QGZVFWFLSA-N 1 1 349.435 0.418 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCOC)CCO3)nn1 ZINC000972590325 737004039 /nfs/dbraw/zinc/00/40/39/737004039.db2.gz PMFGRURHPGVIEV-QGZVFWFLSA-N 1 1 349.435 0.418 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001023588935 737042001 /nfs/dbraw/zinc/04/20/01/737042001.db2.gz OYHIDPWEZNNTEB-OAGGEKHMSA-N 1 1 335.448 0.474 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001023588946 737042721 /nfs/dbraw/zinc/04/27/21/737042721.db2.gz PCVIDZCUKVFISU-OAHLLOKOSA-N 1 1 344.459 0.988 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC000972602919 737066383 /nfs/dbraw/zinc/06/63/83/737066383.db2.gz SDWOYDKMUGCWMX-KRWDZBQOSA-N 1 1 340.387 0.065 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC000972602919 737066386 /nfs/dbraw/zinc/06/63/86/737066386.db2.gz SDWOYDKMUGCWMX-KRWDZBQOSA-N 1 1 340.387 0.065 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972602869 737068009 /nfs/dbraw/zinc/06/80/09/737068009.db2.gz RZDVSERJNQNEKG-GOSISDBHSA-N 1 1 344.415 0.203 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972602869 737068010 /nfs/dbraw/zinc/06/80/10/737068010.db2.gz RZDVSERJNQNEKG-GOSISDBHSA-N 1 1 344.415 0.203 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972605570 737077901 /nfs/dbraw/zinc/07/79/01/737077901.db2.gz DEEDEMWYKLSHFR-INIZCTEOSA-N 1 1 339.403 0.668 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)nn3C)C2)C1 ZINC000972611833 737096720 /nfs/dbraw/zinc/09/67/20/737096720.db2.gz MXNGNRMXENRXTQ-SFHVURJKSA-N 1 1 330.432 0.923 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)nn3C)C2)C1 ZINC000972611833 737096723 /nfs/dbraw/zinc/09/67/23/737096723.db2.gz MXNGNRMXENRXTQ-SFHVURJKSA-N 1 1 330.432 0.923 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001023626488 737111264 /nfs/dbraw/zinc/11/12/64/737111264.db2.gz ADNDLYSDTRJGHK-GJZGRUSLSA-N 1 1 326.462 0.663 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001023626488 737111267 /nfs/dbraw/zinc/11/12/67/737111267.db2.gz ADNDLYSDTRJGHK-GJZGRUSLSA-N 1 1 326.462 0.663 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cnccn3)C2)C1 ZINC000972624584 737137084 /nfs/dbraw/zinc/13/70/84/737137084.db2.gz QFZBNOGHXBIUDW-GOSISDBHSA-N 1 1 328.416 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cnccn3)C2)C1 ZINC000972624584 737137085 /nfs/dbraw/zinc/13/70/85/737137085.db2.gz QFZBNOGHXBIUDW-GOSISDBHSA-N 1 1 328.416 0.736 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)C1 ZINC000972641816 737206399 /nfs/dbraw/zinc/20/63/99/737206399.db2.gz YBLBAJORVOAEBR-GOSISDBHSA-N 1 1 345.399 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)C1 ZINC000972641816 737206401 /nfs/dbraw/zinc/20/64/01/737206401.db2.gz YBLBAJORVOAEBR-GOSISDBHSA-N 1 1 345.399 0.736 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001023692838 737207168 /nfs/dbraw/zinc/20/71/68/737207168.db2.gz LYMVGQHRZGPXTO-CYBMUJFWSA-N 1 1 332.404 0.574 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001023692838 737207170 /nfs/dbraw/zinc/20/71/70/737207170.db2.gz LYMVGQHRZGPXTO-CYBMUJFWSA-N 1 1 332.404 0.574 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCCO)CCO3)cn1 ZINC000972642230 737214506 /nfs/dbraw/zinc/21/45/06/737214506.db2.gz FFTFTXWJZBXXLN-SFHVURJKSA-N 1 1 329.400 0.362 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCCO)CCO3)cn1 ZINC000972642230 737214513 /nfs/dbraw/zinc/21/45/13/737214513.db2.gz FFTFTXWJZBXXLN-SFHVURJKSA-N 1 1 329.400 0.362 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001023699492 737217575 /nfs/dbraw/zinc/21/75/75/737217575.db2.gz FNUYFCQRQUHAKD-LLVKDONJSA-N 1 1 336.392 0.914 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)nc1 ZINC001023708975 737227231 /nfs/dbraw/zinc/22/72/31/737227231.db2.gz NTBDGTRTQRUPHL-RDJZCZTQSA-N 1 1 340.427 0.783 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3nonc3C)C2)C1=O ZINC000972645750 737242996 /nfs/dbraw/zinc/24/29/96/737242996.db2.gz XHDMDDQSARGSTR-UKRRQHHQSA-N 1 1 347.419 0.240 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN([C@@H](C)C(N)=O)C2)CC1 ZINC001023761930 737326192 /nfs/dbraw/zinc/32/61/92/737326192.db2.gz MVLBARDEDFUJEW-LSDHHAIUSA-N 1 1 334.464 0.034 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 ZINC000972676594 737354856 /nfs/dbraw/zinc/35/48/56/737354856.db2.gz KDSCXCZMVRHXHQ-GOSISDBHSA-N 1 1 331.416 0.728 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CN(CC)CCO3)C2)C1 ZINC000972682070 737369942 /nfs/dbraw/zinc/36/99/42/737369942.db2.gz CHROSGKDMRMGEL-SJLPKXTDSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CN(CC)CCO3)C2)C1 ZINC000972682070 737369946 /nfs/dbraw/zinc/36/99/46/737369946.db2.gz CHROSGKDMRMGEL-SJLPKXTDSA-N 1 1 335.448 0.034 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(CC)CCO3)C2)C1 ZINC000972682870 737371960 /nfs/dbraw/zinc/37/19/60/737371960.db2.gz JCMXDHMESOQKBP-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684864 737375797 /nfs/dbraw/zinc/37/57/97/737375797.db2.gz XWICOVOZJNTBDC-HNAYVOBHSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684864 737375804 /nfs/dbraw/zinc/37/58/04/737375804.db2.gz XWICOVOZJNTBDC-HNAYVOBHSA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689670 737388059 /nfs/dbraw/zinc/38/80/59/737388059.db2.gz YUTXZRJWYYBVFN-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972689670 737388061 /nfs/dbraw/zinc/38/80/61/737388061.db2.gz YUTXZRJWYYBVFN-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972689377 737388553 /nfs/dbraw/zinc/38/85/53/737388553.db2.gz WIGSISRGEQNAAG-CRAIPNDOSA-N 1 1 345.447 0.720 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972689377 737388560 /nfs/dbraw/zinc/38/85/60/737388560.db2.gz WIGSISRGEQNAAG-CRAIPNDOSA-N 1 1 345.447 0.720 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001023890611 737464871 /nfs/dbraw/zinc/46/48/71/737464871.db2.gz DBXHSLJTIACZSG-HUUCEWRRSA-N 1 1 345.447 0.947 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972793925 737684741 /nfs/dbraw/zinc/68/47/41/737684741.db2.gz KWBRUDPIKCAEII-CYBMUJFWSA-N 1 1 345.432 0.633 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972793925 737684742 /nfs/dbraw/zinc/68/47/42/737684742.db2.gz KWBRUDPIKCAEII-CYBMUJFWSA-N 1 1 345.432 0.633 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccnn3C)C(C)(C)C2)C1=O ZINC000972854716 737775979 /nfs/dbraw/zinc/77/59/79/737775979.db2.gz DGTIMKQYCPJSNT-HUUCEWRRSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccnn3C)C(C)(C)C2)C1=O ZINC000972854716 737775982 /nfs/dbraw/zinc/77/59/82/737775982.db2.gz DGTIMKQYCPJSNT-HUUCEWRRSA-N 1 1 345.447 0.647 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)[nH]1 ZINC001125783821 737793770 /nfs/dbraw/zinc/79/37/70/737793770.db2.gz USVZGPHDONTVMP-GFCCVEGCSA-N 1 1 343.391 0.034 20 30 ECEDMO C=CCC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039731647 737921216 /nfs/dbraw/zinc/92/12/16/737921216.db2.gz AUIBZKHLJXBPJC-KSSFIOAISA-N 1 1 337.464 0.620 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C(C)(C)[C@@H]21 ZINC001087289377 738124238 /nfs/dbraw/zinc/12/42/38/738124238.db2.gz LIPNZXWCVWEOER-MRVWCRGKSA-N 1 1 346.435 0.168 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1ncn(C)c1=O ZINC001087293071 738134962 /nfs/dbraw/zinc/13/49/62/738134962.db2.gz XHQZNUKVVUMTEC-VNQPRFMTSA-N 1 1 347.463 0.763 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C(C)(C)[C@@H]21 ZINC001087293163 738135449 /nfs/dbraw/zinc/13/54/49/738135449.db2.gz ZHBBMAARTCLXJP-ZTFGCOKTSA-N 1 1 348.491 0.552 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@H]21 ZINC001087298770 738160054 /nfs/dbraw/zinc/16/00/54/738160054.db2.gz KRZWTQYKQIRSHU-OLMNPRSZSA-N 1 1 348.491 0.600 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N(C)C)c1 ZINC001024644618 738197320 /nfs/dbraw/zinc/19/73/20/738197320.db2.gz UUEKXJNUNLFETB-INIZCTEOSA-N 1 1 328.416 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N(C)C)c1 ZINC001024644618 738197323 /nfs/dbraw/zinc/19/73/23/738197323.db2.gz UUEKXJNUNLFETB-INIZCTEOSA-N 1 1 328.416 0.735 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CC(=O)NC3=O)C(C)(C)[C@@H]21 ZINC001087309041 738234778 /nfs/dbraw/zinc/23/47/78/738234778.db2.gz ZKCJZMMZIMLUPG-DAXOMENPSA-N 1 1 346.431 0.167 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1C(=O)CNC1=O ZINC001087317167 738282792 /nfs/dbraw/zinc/28/27/92/738282792.db2.gz DPJKXKHVBCPHFX-UHOFOFEASA-N 1 1 348.447 0.720 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(C)c(=O)n3C)C(C)(C)[C@@H]21 ZINC001087320023 738293984 /nfs/dbraw/zinc/29/39/84/738293984.db2.gz XVGHYBUTIDOHEK-FVQBIDKESA-N 1 1 344.459 0.966 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC3CC3)nc2)C1 ZINC001078229501 782528263 /nfs/dbraw/zinc/52/82/63/782528263.db2.gz LSOGRXIXUIDZGJ-HZPDHXFCSA-N 1 1 329.400 0.669 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025241188 738905051 /nfs/dbraw/zinc/90/50/51/738905051.db2.gz VFITZAHCRGVOED-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025243121 738918497 /nfs/dbraw/zinc/91/84/97/738918497.db2.gz AFWZFJPCLWNLGD-HZPDHXFCSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC000973225902 738940802 /nfs/dbraw/zinc/94/08/02/738940802.db2.gz KIQLWJXGPRHGTN-KKUMJFAQSA-N 1 1 328.416 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC000973225902 738940803 /nfs/dbraw/zinc/94/08/03/738940803.db2.gz KIQLWJXGPRHGTN-KKUMJFAQSA-N 1 1 328.416 0.798 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001025281928 739004467 /nfs/dbraw/zinc/00/44/67/739004467.db2.gz XKYVPDDXOHLBTI-CVEARBPZSA-N 1 1 330.436 0.932 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025298522 739019456 /nfs/dbraw/zinc/01/94/56/739019456.db2.gz XYGOJVRUKFBWIF-LSDHHAIUSA-N 1 1 348.447 0.960 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@](C)(NC(C)=O)C3CC3)C2)nn1 ZINC001105359428 751417821 /nfs/dbraw/zinc/41/78/21/751417821.db2.gz HEKWYSVWCQJXFU-QGZVFWFLSA-N 1 1 346.435 0.242 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cccnc2C)C1 ZINC000973410391 739224150 /nfs/dbraw/zinc/22/41/50/739224150.db2.gz KBCCTJUVCVNURK-ZOBUZTSGSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cccnc2C)C1 ZINC000973410391 739224154 /nfs/dbraw/zinc/22/41/54/739224154.db2.gz KBCCTJUVCVNURK-ZOBUZTSGSA-N 1 1 340.427 0.865 20 30 ECEDMO C[C@@H](CNc1ncccc1C#N)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104623020 739256740 /nfs/dbraw/zinc/25/67/40/739256740.db2.gz QCMKGGHTWFNYSB-AWEZNQCLSA-N 1 1 331.420 0.934 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O ZINC000981994903 751433415 /nfs/dbraw/zinc/43/34/15/751433415.db2.gz VXIGBZDQJPEMIW-ZACQAIPSSA-N 1 1 347.459 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C=C)CC2)C1=O ZINC000981994903 751433418 /nfs/dbraw/zinc/43/34/18/751433418.db2.gz VXIGBZDQJPEMIW-ZACQAIPSSA-N 1 1 347.459 0.899 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC000973485022 739379116 /nfs/dbraw/zinc/37/91/16/739379116.db2.gz DCCKTWYBZIZVQQ-TUUVXOQKSA-N 1 1 340.427 0.638 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001078232348 782531195 /nfs/dbraw/zinc/53/11/95/782531195.db2.gz QWKYUFMHDNNREI-JHJVBQTASA-N 1 1 335.370 0.751 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CCN(c2cnc(C#N)cn2)CC3)C1 ZINC001058636645 739548738 /nfs/dbraw/zinc/54/87/38/739548738.db2.gz OLWTVYVRQVBOSZ-UKRRQHHQSA-N 1 1 340.431 0.775 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001025460216 739575866 /nfs/dbraw/zinc/57/58/66/739575866.db2.gz XXNJADRBVBCJOZ-KBPBESRZSA-N 1 1 338.473 0.661 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001025471080 739612305 /nfs/dbraw/zinc/61/23/05/739612305.db2.gz CIMZNOJLVJELKN-KBPBESRZSA-N 1 1 330.432 0.978 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001025493391 739659793 /nfs/dbraw/zinc/65/97/93/739659793.db2.gz NNUAHWBALBCDML-KGLIPLIRSA-N 1 1 339.403 0.521 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2O)C1 ZINC001025541801 739702233 /nfs/dbraw/zinc/70/22/33/739702233.db2.gz CSUTWHBQWHWYSM-BZUAXINKSA-N 1 1 349.475 0.903 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2O)C1 ZINC001025546139 739707269 /nfs/dbraw/zinc/70/72/69/739707269.db2.gz WTSVCAYWJBTCFT-KBUPBQIOSA-N 1 1 335.448 0.371 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025614870 739777504 /nfs/dbraw/zinc/77/75/04/739777504.db2.gz PQCXZLYFMLILOR-CHWSQXEVSA-N 1 1 331.420 0.982 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCCN(CC(N)=O)C2)CC1 ZINC001025630003 739794879 /nfs/dbraw/zinc/79/48/79/739794879.db2.gz NZDIYZXYKXGXJL-GDBMZVCRSA-N 1 1 334.464 0.034 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4C[C@@]45CCOC5)C[C@H]32)c[nH]1 ZINC001025745502 739913787 /nfs/dbraw/zinc/91/37/87/739913787.db2.gz POCUWLIHKIWHOC-GHHZWIFUSA-N 1 1 326.400 0.973 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C(F)(F)F ZINC001112032402 739945754 /nfs/dbraw/zinc/94/57/54/739945754.db2.gz HXDIFAHQCRHASJ-CHWSQXEVSA-N 1 1 345.365 0.905 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCOC)C[C@H]1C(F)(F)F ZINC001112033590 739964597 /nfs/dbraw/zinc/96/45/97/739964597.db2.gz PXAITMWTUUZORY-QJPTWQEYSA-N 1 1 349.353 0.140 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994001 739982740 /nfs/dbraw/zinc/98/27/40/739982740.db2.gz FCQFVUVFBTXXJW-JYAVWHMHSA-N 1 1 333.392 0.154 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994001 739982742 /nfs/dbraw/zinc/98/27/42/739982742.db2.gz FCQFVUVFBTXXJW-JYAVWHMHSA-N 1 1 333.392 0.154 20 30 ECEDMO NC(=O)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC#Cc1ccccc1 ZINC001087384268 740031688 /nfs/dbraw/zinc/03/16/88/740031688.db2.gz DFCVUXHJTHLHEF-MHORFTMASA-N 1 1 337.423 0.692 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070007806 790310188 /nfs/dbraw/zinc/31/01/88/790310188.db2.gz AYGANAVZPLRWHI-NXOAAHMSSA-N 1 1 344.463 0.373 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CCCO2)C1 ZINC000988086229 751515292 /nfs/dbraw/zinc/51/52/92/751515292.db2.gz HVEBNNABLWGOMX-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CCCO2)C1 ZINC000988086229 751515295 /nfs/dbraw/zinc/51/52/95/751515295.db2.gz HVEBNNABLWGOMX-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001149273023 740163698 /nfs/dbraw/zinc/16/36/98/740163698.db2.gz RPLSPPIYPYZUDJ-OAHLLOKOSA-N 1 1 334.420 0.199 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001149273023 740163703 /nfs/dbraw/zinc/16/37/03/740163703.db2.gz RPLSPPIYPYZUDJ-OAHLLOKOSA-N 1 1 334.420 0.199 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2cn[nH]c2)C1 ZINC000988090186 751519668 /nfs/dbraw/zinc/51/96/68/751519668.db2.gz ZZWCNDCATLWNSG-HOCLYGCPSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2cn[nH]c2)C1 ZINC000988090186 751519673 /nfs/dbraw/zinc/51/96/73/751519673.db2.gz ZZWCNDCATLWNSG-HOCLYGCPSA-N 1 1 343.431 0.428 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3cnc[nH]3)CC2)C1=O ZINC000982035552 751516723 /nfs/dbraw/zinc/51/67/23/751516723.db2.gz KNPSNOGSTUDZHM-HNNXBMFYSA-N 1 1 331.420 0.273 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3cnc[nH]3)CC2)C1=O ZINC000982035552 751516726 /nfs/dbraw/zinc/51/67/26/751516726.db2.gz KNPSNOGSTUDZHM-HNNXBMFYSA-N 1 1 331.420 0.273 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)CCO2 ZINC001068463219 790317779 /nfs/dbraw/zinc/31/77/79/790317779.db2.gz BSCWHFXOVPJLBK-OAHLLOKOSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001026101730 740376937 /nfs/dbraw/zinc/37/69/37/740376937.db2.gz CETPNTFHDNXNDJ-AYYATWNNSA-N 1 1 335.448 0.491 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCCO)C2)nn1 ZINC001087392721 740423037 /nfs/dbraw/zinc/42/30/37/740423037.db2.gz KTUIDXLPBLLDTE-JKQORVJESA-N 1 1 345.447 0.629 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC000982069256 751559094 /nfs/dbraw/zinc/55/90/94/751559094.db2.gz RILZUBPXJXEKAZ-UHFFFAOYSA-N 1 1 333.432 0.930 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNc2ccnc(C#N)n2)CC[N@H+]1C ZINC001104845580 740696380 /nfs/dbraw/zinc/69/63/80/740696380.db2.gz PXDWATBCWVKWCI-MELADBBJSA-N 1 1 330.436 0.759 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000973994797 740742959 /nfs/dbraw/zinc/74/29/59/740742959.db2.gz MZIVLWRUCRXCSF-OKILXGFUSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1C#N ZINC001104862589 740749484 /nfs/dbraw/zinc/74/94/84/740749484.db2.gz NNOALMRASAYGQM-ZFWWWQNUSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1C#N ZINC001104862589 740749486 /nfs/dbraw/zinc/74/94/86/740749486.db2.gz NNOALMRASAYGQM-ZFWWWQNUSA-N 1 1 326.404 0.705 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973996722 740749639 /nfs/dbraw/zinc/74/96/39/740749639.db2.gz XDDIVTRVLIULBV-GUTXKFCHSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](CNc1ccc(C#N)nc1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104867494 740758092 /nfs/dbraw/zinc/75/80/92/740758092.db2.gz CFVKJWLTSCIVLT-WOSRLPQWSA-N 1 1 331.420 0.931 20 30 ECEDMO C[C@@H](CNc1ccc(C#N)nc1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104867494 740758094 /nfs/dbraw/zinc/75/80/94/740758094.db2.gz CFVKJWLTSCIVLT-WOSRLPQWSA-N 1 1 331.420 0.931 20 30 ECEDMO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C[C@H]12 ZINC001026306712 740800105 /nfs/dbraw/zinc/80/01/05/740800105.db2.gz PJAHYACUOJVGOX-HYVNUMGLSA-N 1 1 344.459 0.835 20 30 ECEDMO N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001059857120 751607175 /nfs/dbraw/zinc/60/71/75/751607175.db2.gz NKNIEVHUAFYGLT-OSRDXIQISA-N 1 1 342.403 0.271 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)nc1 ZINC001087405408 741119005 /nfs/dbraw/zinc/11/90/05/741119005.db2.gz IKBHGUKFMFJVPY-DFGXFYAUSA-N 1 1 325.412 0.838 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C ZINC001105014347 741168139 /nfs/dbraw/zinc/16/81/39/741168139.db2.gz LFOVTHZITNGUEC-BRWVUGGUSA-N 1 1 348.491 0.294 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC000974262640 741192098 /nfs/dbraw/zinc/19/20/98/741192098.db2.gz CDBXAEGJTGMFTI-MJBXVCDLSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC000974262640 741192102 /nfs/dbraw/zinc/19/21/02/741192102.db2.gz CDBXAEGJTGMFTI-MJBXVCDLSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000974262992 741192875 /nfs/dbraw/zinc/19/28/75/741192875.db2.gz IMSAZOIVTZCNSE-GUTXKFCHSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000974262992 741192877 /nfs/dbraw/zinc/19/28/77/741192877.db2.gz IMSAZOIVTZCNSE-GUTXKFCHSA-N 1 1 329.404 0.193 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2conc2C)C1 ZINC000974263329 741193529 /nfs/dbraw/zinc/19/35/29/741193529.db2.gz PWWTUUYAMMCJKQ-GUTXKFCHSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2conc2C)C1 ZINC000974263329 741193532 /nfs/dbraw/zinc/19/35/32/741193532.db2.gz PWWTUUYAMMCJKQ-GUTXKFCHSA-N 1 1 330.388 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC000974263094 741193551 /nfs/dbraw/zinc/19/35/51/741193551.db2.gz NMEXKLKYHICBOB-ZNMIVQPWSA-N 1 1 344.415 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC000974263094 741193553 /nfs/dbraw/zinc/19/35/53/741193553.db2.gz NMEXKLKYHICBOB-ZNMIVQPWSA-N 1 1 344.415 0.766 20 30 ECEDMO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@@H]12 ZINC001026397617 741220646 /nfs/dbraw/zinc/22/06/46/741220646.db2.gz OMKSBDNDHYCESR-DAXOMENPSA-N 1 1 338.415 0.884 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cn(CC3CC3)nn2)CC1 ZINC001098516320 751623033 /nfs/dbraw/zinc/62/30/33/751623033.db2.gz SNIIEDNFTHUOAW-UHFFFAOYSA-N 1 1 331.420 0.220 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC000982139286 751633446 /nfs/dbraw/zinc/63/34/46/751633446.db2.gz SFFKGLCLLLUQOI-UHFFFAOYSA-N 1 1 346.431 0.265 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC000982141534 751636887 /nfs/dbraw/zinc/63/68/87/751636887.db2.gz ITNDOMTVNOXFJG-CYBMUJFWSA-N 1 1 334.420 0.475 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@H]3OCC)C2)nn1 ZINC001105171250 741438971 /nfs/dbraw/zinc/43/89/71/741438971.db2.gz FJHIJPRLASBREU-HOTGVXAUSA-N 1 1 349.435 0.379 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3COC(=O)C3)C2)nn1 ZINC001105210883 741479691 /nfs/dbraw/zinc/47/96/91/741479691.db2.gz BENADMWPBJMFKK-LBPRGKRZSA-N 1 1 333.392 0.280 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256566 741571346 /nfs/dbraw/zinc/57/13/46/741571346.db2.gz JLNFKBRHMDGYIK-INIZCTEOSA-N 1 1 330.436 0.259 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)COc3cc(C)on3)C2)nn1 ZINC001105264288 741598842 /nfs/dbraw/zinc/59/88/42/741598842.db2.gz DCBBFVZFFIBLQU-UHFFFAOYSA-N 1 1 346.391 0.703 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)n3cnc(C)c3)C2)nn1 ZINC001105268328 741609986 /nfs/dbraw/zinc/60/99/86/741609986.db2.gz JXHGUZMOHWMBAN-UHFFFAOYSA-N 1 1 343.435 0.877 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)nn1 ZINC001105270703 741615236 /nfs/dbraw/zinc/61/52/36/741615236.db2.gz ITSVCHROHZBNKK-ZDUSSCGKSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(F)cn3)C2)nn1 ZINC001105272308 741617982 /nfs/dbraw/zinc/61/79/82/741617982.db2.gz FYNQBRVCQUTHEF-UHFFFAOYSA-N 1 1 330.367 0.714 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccnnc3C)C2)nn1 ZINC001105276173 741628595 /nfs/dbraw/zinc/62/85/95/741628595.db2.gz BCHJEXOIHOFIEA-UHFFFAOYSA-N 1 1 327.392 0.739 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCCc3c[nH]nn3)C2)nn1 ZINC001105290646 741652065 /nfs/dbraw/zinc/65/20/65/741652065.db2.gz VWSNGOPXLUPGPH-UHFFFAOYSA-N 1 1 344.423 0.468 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)COCC(F)F)C2)nn1 ZINC001105290772 741652343 /nfs/dbraw/zinc/65/23/43/741652343.db2.gz YNQLHGOTINNFGA-UHFFFAOYSA-N 1 1 329.351 0.609 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)CCc1cnc[nH]1 ZINC001058730834 741757400 /nfs/dbraw/zinc/75/74/00/741757400.db2.gz KCSJNMDADZIETJ-KRWDZBQOSA-N 1 1 336.436 0.882 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)C[N@@H+](C)C(C)C ZINC001058731007 741757987 /nfs/dbraw/zinc/75/79/87/741757987.db2.gz OPZKCVHGPFKXLZ-QGZVFWFLSA-N 1 1 327.469 0.866 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058731306 741763086 /nfs/dbraw/zinc/76/30/86/741763086.db2.gz YWQANDDBOPFFTN-CRAIPNDOSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCc4nc[nH]c43)C2)nn1 ZINC001105325739 741796552 /nfs/dbraw/zinc/79/65/52/741796552.db2.gz ZJNUVELXXAEQLG-AWEZNQCLSA-N 1 1 341.419 0.780 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cccc(=O)n3C)C2)nn1 ZINC001105325370 741799869 /nfs/dbraw/zinc/79/98/69/741799869.db2.gz NRQRGGMDLVLFPP-UHFFFAOYSA-N 1 1 342.403 0.340 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327169 741812449 /nfs/dbraw/zinc/81/24/49/741812449.db2.gz UTBRZFWAGWGADF-XJKSGUPXSA-N 1 1 332.452 0.525 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)[C@H]3CCC(=O)N3)C2)nn1 ZINC001105332121 741843431 /nfs/dbraw/zinc/84/34/31/741843431.db2.gz XMVPFASFCAUFPC-SWLSCSKDSA-N 1 1 346.435 0.242 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974586666 741923116 /nfs/dbraw/zinc/92/31/16/741923116.db2.gz WSIIFRWIRGWBIO-UKRRQHHQSA-N 1 1 343.431 0.613 20 30 ECEDMO CC#CCN1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826145 742225207 /nfs/dbraw/zinc/22/52/07/742225207.db2.gz NPIUJHADHRAABH-BHEGOAEISA-N 1 1 331.460 0.700 20 30 ECEDMO CC#CCN1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826145 742225210 /nfs/dbraw/zinc/22/52/10/742225210.db2.gz NPIUJHADHRAABH-BHEGOAEISA-N 1 1 331.460 0.700 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000974871222 742284572 /nfs/dbraw/zinc/28/45/72/742284572.db2.gz KEQBTAXHQZYIRP-QWHCGFSZSA-N 1 1 329.391 0.412 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000974893961 742301266 /nfs/dbraw/zinc/30/12/66/742301266.db2.gz LCXWYQAFJXFDEX-GFCCVEGCSA-N 1 1 344.423 0.710 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000975107413 742489158 /nfs/dbraw/zinc/48/91/58/742489158.db2.gz ALZCGWMVABUTSP-KBPBESRZSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000975107413 742489162 /nfs/dbraw/zinc/48/91/62/742489162.db2.gz ALZCGWMVABUTSP-KBPBESRZSA-N 1 1 326.462 0.661 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000975181744 742573039 /nfs/dbraw/zinc/57/30/39/742573039.db2.gz VWOVUXAXLPUOSD-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000975181744 742573040 /nfs/dbraw/zinc/57/30/40/742573040.db2.gz VWOVUXAXLPUOSD-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCCN1CC[NH+](C2CCC(NC(=O)c3cnn[nH]3)CC2)CC1 ZINC000996781081 742851623 /nfs/dbraw/zinc/85/16/23/742851623.db2.gz AGUDSUWASYXAKS-UHFFFAOYSA-N 1 1 330.436 0.487 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001028936017 742918296 /nfs/dbraw/zinc/91/82/96/742918296.db2.gz AMVCFMHJWIIFLS-UONOGXRCSA-N 1 1 344.415 0.280 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)ccc1F ZINC001028936451 742919844 /nfs/dbraw/zinc/91/98/44/742919844.db2.gz XTLKWQGBJVOAHY-CJNGLKHVSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000975506737 743005594 /nfs/dbraw/zinc/00/55/94/743005594.db2.gz LDQATRURCHOFIR-BBWFWOEESA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000975506737 743005602 /nfs/dbraw/zinc/00/56/02/743005602.db2.gz LDQATRURCHOFIR-BBWFWOEESA-N 1 1 347.459 0.475 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000988288969 751789285 /nfs/dbraw/zinc/78/92/85/751789285.db2.gz VTOXXUFDIBAHCG-OLZOCXBDSA-N 1 1 347.419 0.816 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccn(C)n3)C2)C1=O ZINC001028982204 743071239 /nfs/dbraw/zinc/07/12/39/743071239.db2.gz HADJEYIHTQNYNT-UKRRQHHQSA-N 1 1 331.420 0.259 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001028994073 743119195 /nfs/dbraw/zinc/11/91/95/743119195.db2.gz MIEOKLRVVRDTFI-UONOGXRCSA-N 1 1 329.828 0.424 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001028994073 743119198 /nfs/dbraw/zinc/11/91/98/743119198.db2.gz MIEOKLRVVRDTFI-UONOGXRCSA-N 1 1 329.828 0.424 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)C1 ZINC000975638746 743171187 /nfs/dbraw/zinc/17/11/87/743171187.db2.gz ZXELZXCFGRACOD-YESZJQIVSA-N 1 1 345.443 0.180 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)C1 ZINC000975638746 743171188 /nfs/dbraw/zinc/17/11/88/743171188.db2.gz ZXELZXCFGRACOD-YESZJQIVSA-N 1 1 345.443 0.180 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC000997083320 743209741 /nfs/dbraw/zinc/20/97/41/743209741.db2.gz RUQLZCGMJIAQKP-KBPBESRZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)nc1 ZINC000997086821 743214076 /nfs/dbraw/zinc/21/40/76/743214076.db2.gz BBFKRHIZWBHNFQ-IBGZPJMESA-N 1 1 338.411 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1cocn1 ZINC000975854284 743356128 /nfs/dbraw/zinc/35/61/28/743356128.db2.gz PKOUEGGURKYCLQ-ZBFHGGJFSA-N 1 1 344.415 0.883 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1cocn1 ZINC000975854284 743356135 /nfs/dbraw/zinc/35/61/35/743356135.db2.gz PKOUEGGURKYCLQ-ZBFHGGJFSA-N 1 1 344.415 0.883 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]cc3C)[C@H]2C)C1=O ZINC001088559362 751825918 /nfs/dbraw/zinc/82/59/18/751825918.db2.gz KGGIIEVXKCBRIJ-RDBSUJKOSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3n[nH]cc3C)[C@H]2C)C1=O ZINC001088559362 751825925 /nfs/dbraw/zinc/82/59/25/751825925.db2.gz KGGIIEVXKCBRIJ-RDBSUJKOSA-N 1 1 331.420 0.698 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291548 743454032 /nfs/dbraw/zinc/45/40/32/743454032.db2.gz RJEBWAYCXPIOHR-MRXNPFEDSA-N 1 1 339.403 0.668 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291548 743454035 /nfs/dbraw/zinc/45/40/35/743454035.db2.gz RJEBWAYCXPIOHR-MRXNPFEDSA-N 1 1 339.403 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(F)F ZINC000976038522 743475038 /nfs/dbraw/zinc/47/50/38/743475038.db2.gz MNXQKBLXXGLYDR-QNWHQSFQSA-N 1 1 325.359 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(F)F ZINC000976038522 743475041 /nfs/dbraw/zinc/47/50/41/743475041.db2.gz MNXQKBLXXGLYDR-QNWHQSFQSA-N 1 1 325.359 0.312 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3nnc(C)[nH]3)[C@H]2C)C1=O ZINC001088560466 751829740 /nfs/dbraw/zinc/82/97/40/751829740.db2.gz RLCRFADWBWVHRT-XBFCOCLRSA-N 1 1 346.435 0.022 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000997335040 743501022 /nfs/dbraw/zinc/50/10/22/743501022.db2.gz OTXFLAZQKWNFFO-SUMWQHHRSA-N 1 1 325.412 0.806 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059172249 743555734 /nfs/dbraw/zinc/55/57/34/743555734.db2.gz IJLUYSCCVWGHRC-OBJOEFQTSA-N 1 1 333.367 0.482 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059172249 743555737 /nfs/dbraw/zinc/55/57/37/743555737.db2.gz IJLUYSCCVWGHRC-OBJOEFQTSA-N 1 1 333.367 0.482 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001027355004 743920313 /nfs/dbraw/zinc/92/03/13/743920313.db2.gz OPXZVVAVJVUDFB-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027371742 744019373 /nfs/dbraw/zinc/01/93/73/744019373.db2.gz IFEBWBSSXWQQQY-CQSZACIVSA-N 1 1 344.419 0.448 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000998194791 744042862 /nfs/dbraw/zinc/04/28/62/744042862.db2.gz FKVOFSYYCIZPTH-LSDHHAIUSA-N 1 1 341.477 0.404 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000976538166 744043199 /nfs/dbraw/zinc/04/31/99/744043199.db2.gz BYSHMJQTEOXARY-KDEOKCCVSA-N 1 1 344.415 0.356 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000976533184 744057428 /nfs/dbraw/zinc/05/74/28/744057428.db2.gz PAJHWPOVIYLMIP-AIANPOQGSA-N 1 1 342.443 0.812 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc(C4CC4)nn3)C[C@@]2(C)C1 ZINC000982294911 751896283 /nfs/dbraw/zinc/89/62/83/751896283.db2.gz JNCGTBAYZJPQHL-HDICACEKSA-N 1 1 327.432 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccco3)C[C@H]21 ZINC000976739076 744265477 /nfs/dbraw/zinc/26/54/77/744265477.db2.gz HVRIEVPESCQIOT-KNCOVGOOSA-N 1 1 327.384 0.564 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccco3)C[C@H]21 ZINC000976739076 744265479 /nfs/dbraw/zinc/26/54/79/744265479.db2.gz HVRIEVPESCQIOT-KNCOVGOOSA-N 1 1 327.384 0.564 20 30 ECEDMO COCc1noc(C[NH2+]C2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998653917 744269499 /nfs/dbraw/zinc/26/94/99/744269499.db2.gz IBAVYMMSFPAWBS-UHFFFAOYSA-N 1 1 344.375 0.809 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000998750711 744314401 /nfs/dbraw/zinc/31/44/01/744314401.db2.gz FMBCHIOFXOJFRW-MNOVXSKESA-N 1 1 343.391 0.309 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000976787970 744324324 /nfs/dbraw/zinc/32/43/24/744324324.db2.gz AXALIJXULXRNAP-CLWVCHIJSA-N 1 1 341.415 0.557 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@@H](C)C(N)=O)C[C@]2(C)C1 ZINC000982298358 751909046 /nfs/dbraw/zinc/90/90/46/751909046.db2.gz BYSZEIDJQGMKNN-STEAMIEHSA-N 1 1 346.475 0.128 20 30 ECEDMO C=CCn1cccc1C(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998903101 744393866 /nfs/dbraw/zinc/39/38/66/744393866.db2.gz DUTPSAVFKICURA-UHFFFAOYSA-N 1 1 329.408 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2cn(C)nn2)C1 ZINC001027446910 744487882 /nfs/dbraw/zinc/48/78/82/744487882.db2.gz XGCXQELAZVBZES-IRXDYDNUSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2cn(C)nn2)C1 ZINC001027446910 744487885 /nfs/dbraw/zinc/48/78/85/744487885.db2.gz XGCXQELAZVBZES-IRXDYDNUSA-N 1 1 344.463 0.336 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nn(C)cc3C)[C@H]2C)C1=O ZINC001088562855 751933294 /nfs/dbraw/zinc/93/32/94/751933294.db2.gz QDJVQCPBKIDUEZ-ILXRZTDVSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nn(C)cc3C)[C@H]2C)C1=O ZINC001088562855 751933301 /nfs/dbraw/zinc/93/33/01/751933301.db2.gz QDJVQCPBKIDUEZ-ILXRZTDVSA-N 1 1 345.447 0.708 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC000999320240 744624537 /nfs/dbraw/zinc/62/45/37/744624537.db2.gz RADOCQAFGZYNRO-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@H]32)C1 ZINC000977158215 744726495 /nfs/dbraw/zinc/72/64/95/744726495.db2.gz RZYDNKWCJNEHIS-LJISPDSOSA-N 1 1 333.432 0.246 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@H]32)C1 ZINC000977158215 744726496 /nfs/dbraw/zinc/72/64/96/744726496.db2.gz RZYDNKWCJNEHIS-LJISPDSOSA-N 1 1 333.432 0.246 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CC([NH2+]Cc3cnn(C)n3)C2)nn1 ZINC000999540516 744748014 /nfs/dbraw/zinc/74/80/14/744748014.db2.gz LKCALZHKJHDAOW-UHFFFAOYSA-N 1 1 344.423 0.376 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]31)C2 ZINC000977204684 744762947 /nfs/dbraw/zinc/76/29/47/744762947.db2.gz OYMGDADLEAWTSD-VNNIEUKBSA-N 1 1 341.415 0.487 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000977212203 744790908 /nfs/dbraw/zinc/79/09/08/744790908.db2.gz YLCVTLREZHWJAB-RDGWLKQMSA-N 1 1 333.432 0.245 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2C[N@@H+](CC(=O)NC)CC2(C)C)cc1 ZINC000977213726 744792541 /nfs/dbraw/zinc/79/25/41/744792541.db2.gz WTJRMPUPKOJPTP-INIZCTEOSA-N 1 1 343.427 0.885 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2C[N@H+](CC(=O)NC)CC2(C)C)cc1 ZINC000977213726 744792543 /nfs/dbraw/zinc/79/25/43/744792543.db2.gz WTJRMPUPKOJPTP-INIZCTEOSA-N 1 1 343.427 0.885 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]21 ZINC000977216815 744796294 /nfs/dbraw/zinc/79/62/94/744796294.db2.gz GDDLLHSEMCKACJ-UDOHHAEJSA-N 1 1 347.459 0.635 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]21 ZINC000977216814 744796338 /nfs/dbraw/zinc/79/63/38/744796338.db2.gz GDDLLHSEMCKACJ-ICELYOSQSA-N 1 1 347.459 0.635 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+](CCn3cccn3)CC2(C)C)nn1 ZINC000977273263 744828089 /nfs/dbraw/zinc/82/80/89/744828089.db2.gz LZQNIFVLFQGGAX-HNNXBMFYSA-N 1 1 343.435 0.801 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC000999713219 744861828 /nfs/dbraw/zinc/86/18/28/744861828.db2.gz LQWYUNQHQFFVCZ-UHFFFAOYSA-N 1 1 341.371 0.869 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C(C)(C)C1 ZINC000977330649 744872993 /nfs/dbraw/zinc/87/29/93/744872993.db2.gz WNIVTKSQNXIIMQ-OWCLPIDISA-N 1 1 330.432 0.748 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C(C)(C)C1 ZINC000977330649 744872996 /nfs/dbraw/zinc/87/29/96/744872996.db2.gz WNIVTKSQNXIIMQ-OWCLPIDISA-N 1 1 330.432 0.748 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000977331448 744873995 /nfs/dbraw/zinc/87/39/95/744873995.db2.gz XGJKCQHKZTVBKD-OLZOCXBDSA-N 1 1 329.466 0.423 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977381873 744916880 /nfs/dbraw/zinc/91/68/80/744916880.db2.gz AYDXJVXMKFLXMA-ZFWWWQNUSA-N 1 1 331.420 0.388 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000977381873 744916882 /nfs/dbraw/zinc/91/68/82/744916882.db2.gz AYDXJVXMKFLXMA-ZFWWWQNUSA-N 1 1 331.420 0.388 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cc3c([nH]c2=O)CCOC3)C(C)(C)C1 ZINC000977455363 745015444 /nfs/dbraw/zinc/01/54/44/745015444.db2.gz YYDQRYYBXBZPDS-HNNXBMFYSA-N 1 1 329.400 0.933 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ncoc1C ZINC000977461480 745043891 /nfs/dbraw/zinc/04/38/91/745043891.db2.gz MNJUFUDKHMJHDG-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ncoc1C ZINC000977461480 745043898 /nfs/dbraw/zinc/04/38/98/745043898.db2.gz MNJUFUDKHMJHDG-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)C(C)(C)C1 ZINC000977465817 745052582 /nfs/dbraw/zinc/05/25/82/745052582.db2.gz HKTKCOZTULKFMY-CYBMUJFWSA-N 1 1 327.388 0.898 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 ZINC000999957007 745096845 /nfs/dbraw/zinc/09/68/45/745096845.db2.gz SPHKFZVSFAIPJC-CVEARBPZSA-N 1 1 349.435 0.523 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncs3)nn2)C1 ZINC000999961091 745103111 /nfs/dbraw/zinc/10/31/11/745103111.db2.gz GTAMMNBVHZNUEO-ZDUSSCGKSA-N 1 1 330.417 0.935 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3C)nn2)C1 ZINC000999967816 745112340 /nfs/dbraw/zinc/11/23/40/745112340.db2.gz PMCGRLTTXCICSG-AWEZNQCLSA-N 1 1 327.392 0.130 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C(C)(C)C1 ZINC000977512627 745132154 /nfs/dbraw/zinc/13/21/54/745132154.db2.gz KLFHICODGISVKK-HNNXBMFYSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCOCC3)nn2)C1 ZINC000999986520 745141277 /nfs/dbraw/zinc/14/12/77/745141277.db2.gz TVRMXTZBTPJTKY-DOTOQJQBSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn4c3CCC4)nn2)C1 ZINC000999993382 745151431 /nfs/dbraw/zinc/15/14/31/745151431.db2.gz SEPJDAKVQXDBGL-CQSZACIVSA-N 1 1 339.403 0.231 20 30 ECEDMO C=CCn1cccc1C(=O)NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1 ZINC000999994702 745153829 /nfs/dbraw/zinc/15/38/29/745153829.db2.gz ZPSYUQKQQKSOGR-OAHLLOKOSA-N 1 1 344.419 0.435 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CC)C2)nn1 ZINC000999996184 745156055 /nfs/dbraw/zinc/15/60/55/745156055.db2.gz IRTPGEZXBUJBJM-HOTGVXAUSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(Cl)n(C)n3)nn2)C1 ZINC001000002637 745166459 /nfs/dbraw/zinc/16/64/59/745166459.db2.gz KTZFCKXTYDGINZ-LBPRGKRZSA-N 1 1 347.810 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]nc3C(C)C)nn2)C1 ZINC001000004890 745171256 /nfs/dbraw/zinc/17/12/56/745171256.db2.gz WRMITBGEMLJVNX-CQSZACIVSA-N 1 1 341.419 0.935 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088570048 751978010 /nfs/dbraw/zinc/97/80/10/751978010.db2.gz YFUOPXJFXXXLAP-DOMZBBRYSA-N 1 1 325.376 0.324 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(Cl)n3C)nn2)C1 ZINC001000005067 745172193 /nfs/dbraw/zinc/17/21/93/745172193.db2.gz YFETWKFDAPLCTC-GFCCVEGCSA-N 1 1 347.810 0.475 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC001000024755 745196032 /nfs/dbraw/zinc/19/60/32/745196032.db2.gz MMEQCRZIMRNVFM-KFWWJZLASA-N 1 1 337.399 0.702 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CCF)C2)nn1 ZINC001000024755 745196035 /nfs/dbraw/zinc/19/60/35/745196035.db2.gz MMEQCRZIMRNVFM-KFWWJZLASA-N 1 1 337.399 0.702 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(CC)nc3C)nn2)C1 ZINC001000025466 745196638 /nfs/dbraw/zinc/19/66/38/745196638.db2.gz PVMBNGLVJBAILF-OAHLLOKOSA-N 1 1 341.419 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncoc3C3CC3)nn2)C1 ZINC001000031790 745206357 /nfs/dbraw/zinc/20/63/57/745206357.db2.gz ALVSOJMOGOTICN-AWEZNQCLSA-N 1 1 340.387 0.954 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(CC)nn3)nn2)C1 ZINC001000038318 745216773 /nfs/dbraw/zinc/21/67/73/745216773.db2.gz VHVNDQJACOJVTK-ZDUSSCGKSA-N 1 1 330.396 0.252 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn4ccccc4n3)nn2)C1 ZINC001000043187 745223276 /nfs/dbraw/zinc/22/32/76/745223276.db2.gz IKZZFUJEJGZKLX-HNNXBMFYSA-N 1 1 349.398 0.736 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnn4cc[nH]c34)nn2)C1 ZINC001000045861 745226088 /nfs/dbraw/zinc/22/60/88/745226088.db2.gz RGNKLAOJCPREDC-ZDUSSCGKSA-N 1 1 340.391 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC000977589237 745250808 /nfs/dbraw/zinc/25/08/08/745250808.db2.gz QOBOUOOXMAALJU-PMPSAXMXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC000977589237 745250813 /nfs/dbraw/zinc/25/08/13/745250813.db2.gz QOBOUOOXMAALJU-PMPSAXMXSA-N 1 1 333.432 0.322 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977732922 745429233 /nfs/dbraw/zinc/42/92/33/745429233.db2.gz LKKHMKHPMHXDOH-TZMCWYRMSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nncs3)C2)nn1 ZINC001000405742 745478717 /nfs/dbraw/zinc/47/87/17/745478717.db2.gz UDQGWUYCOSHWBN-NSHDSACASA-N 1 1 333.421 0.710 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3CC)C2)nn1 ZINC001000407062 745479722 /nfs/dbraw/zinc/47/97/22/745479722.db2.gz ZJSWAPLHMUGFHX-ZDUSSCGKSA-N 1 1 344.423 0.470 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001000424686 745489427 /nfs/dbraw/zinc/48/94/27/745489427.db2.gz BMDNNWSCCVGIFA-DZKIICNBSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001000428475 745492438 /nfs/dbraw/zinc/49/24/38/745492438.db2.gz UCWAQOVPFYGHJY-YCPHGPKFSA-N 1 1 333.436 0.877 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)COc3c(C)nn(C)c3C)[C@@H]2C1 ZINC001075793460 745533730 /nfs/dbraw/zinc/53/37/30/745533730.db2.gz DUEYZXLNDJTSBF-JKSUJKDBSA-N 1 1 330.432 0.972 20 30 ECEDMO COc1cccc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)c1 ZINC001083414445 745543222 /nfs/dbraw/zinc/54/32/22/745543222.db2.gz DDRFMZBMHIZWNZ-SJORKVTESA-N 1 1 340.383 0.870 20 30 ECEDMO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)c1 ZINC001083414445 745543224 /nfs/dbraw/zinc/54/32/24/745543224.db2.gz DDRFMZBMHIZWNZ-SJORKVTESA-N 1 1 340.383 0.870 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CCOC3)CC2)C1=O ZINC001000499390 745548886 /nfs/dbraw/zinc/54/88/86/745548886.db2.gz FXTQOSPZEMPWFR-CVEARBPZSA-N 1 1 333.432 0.558 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001000558952 745594665 /nfs/dbraw/zinc/59/46/65/745594665.db2.gz JDHGFTISCSDKFB-LBPRGKRZSA-N 1 1 341.415 0.915 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001000558952 745594669 /nfs/dbraw/zinc/59/46/69/745594669.db2.gz JDHGFTISCSDKFB-LBPRGKRZSA-N 1 1 341.415 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC000983974304 745607968 /nfs/dbraw/zinc/60/79/68/745607968.db2.gz FLBFRPWHCFCVSF-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC000983974304 745607971 /nfs/dbraw/zinc/60/79/71/745607971.db2.gz FLBFRPWHCFCVSF-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001000600184 745626158 /nfs/dbraw/zinc/62/61/58/745626158.db2.gz PSTBRJAQSCCGPZ-LBPRGKRZSA-N 1 1 329.404 0.725 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1ccc[nH]1 ZINC000977922715 745653026 /nfs/dbraw/zinc/65/30/26/745653026.db2.gz YEPBYOXDSSGNKL-IRXDYDNUSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1ccc[nH]1 ZINC000977922715 745653028 /nfs/dbraw/zinc/65/30/28/745653028.db2.gz YEPBYOXDSSGNKL-IRXDYDNUSA-N 1 1 342.443 0.714 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)cc1 ZINC000977955713 745712323 /nfs/dbraw/zinc/71/23/23/745712323.db2.gz MHYSCAZQPKCWSZ-WCXIOVBPSA-N 1 1 338.411 0.631 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C#N)nn1 ZINC001126522977 745716577 /nfs/dbraw/zinc/71/65/77/745716577.db2.gz INWHZAFPCMPDJP-HIFRSBDPSA-N 1 1 346.435 0.115 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC001000725121 745724290 /nfs/dbraw/zinc/72/42/90/745724290.db2.gz OWTTXONCJDHRAI-ZDUSSCGKSA-N 1 1 341.371 0.871 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C#N)nc1 ZINC001126523636 745729072 /nfs/dbraw/zinc/72/90/72/745729072.db2.gz NDWGGDAOHLNRGP-YOEHRIQHSA-N 1 1 345.447 0.720 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)nc1 ZINC001000731336 745730058 /nfs/dbraw/zinc/73/00/58/745730058.db2.gz CGBWNULUFJAZBW-JSGCOSHPSA-N 1 1 339.403 0.542 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001006994278 752032028 /nfs/dbraw/zinc/03/20/28/752032028.db2.gz OHFJNESHOUPJIO-GJZGRUSLSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001006994278 752032037 /nfs/dbraw/zinc/03/20/37/752032037.db2.gz OHFJNESHOUPJIO-GJZGRUSLSA-N 1 1 331.420 0.320 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC([C@H]2[N@@H+](CC(N)=O)CC23CCC3)CC1 ZINC001105393719 745819962 /nfs/dbraw/zinc/81/99/62/745819962.db2.gz GIHBZWBMKJQRTE-WMLDXEAASA-N 1 1 347.459 0.603 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)n1 ZINC001059308827 745822573 /nfs/dbraw/zinc/82/25/73/745822573.db2.gz VIUYJUCKCDBQSA-ZQDZILKHSA-N 1 1 340.431 0.704 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCN(CC)C2=O)nc1 ZINC001028271673 752037773 /nfs/dbraw/zinc/03/77/73/752037773.db2.gz LKHIYQYQIJRRLV-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCN(CC)C2=O)nc1 ZINC001028271673 752037780 /nfs/dbraw/zinc/03/77/80/752037780.db2.gz LKHIYQYQIJRRLV-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC000978096658 745912915 /nfs/dbraw/zinc/91/29/15/745912915.db2.gz KRPMEXIXQGSITI-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO Cn1nncc1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC000978113570 745922360 /nfs/dbraw/zinc/92/23/60/745922360.db2.gz VPQVMTOCDKMEAH-PHZGNYQRSA-N 1 1 336.399 0.795 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001000996807 745962192 /nfs/dbraw/zinc/96/21/92/745962192.db2.gz WUWRPFKDJIVFMP-HNNXBMFYSA-N 1 1 327.388 0.137 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC001001000799 745965529 /nfs/dbraw/zinc/96/55/29/745965529.db2.gz GIIXJLRKUWXKQU-OAHLLOKOSA-N 1 1 341.402 0.724 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001001022561 745987292 /nfs/dbraw/zinc/98/72/92/745987292.db2.gz TVPICHNVLJBUBY-UHFFFAOYSA-N 1 1 342.407 0.632 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000978169801 746003989 /nfs/dbraw/zinc/00/39/89/746003989.db2.gz UGRIGKSCXOYSLA-MTSZKFMLSA-N 1 1 347.459 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)C1=O ZINC001027595247 746030355 /nfs/dbraw/zinc/03/03/55/746030355.db2.gz WZEWPWZYPXKRKL-HOTGVXAUSA-N 1 1 345.447 0.662 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001007032115 752055409 /nfs/dbraw/zinc/05/54/09/752055409.db2.gz ZHYFKCGICKDXIK-HNNXBMFYSA-N 1 1 341.419 0.989 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)[C@H]1CC ZINC001087630154 746132111 /nfs/dbraw/zinc/13/21/11/746132111.db2.gz WKSJVGGOFMTIAP-MELADBBJSA-N 1 1 331.420 0.539 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001001217946 746171309 /nfs/dbraw/zinc/17/13/09/746171309.db2.gz HPMDFGFAZAPUBY-QGZVFWFLSA-N 1 1 325.412 0.950 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1 ZINC001001254552 746212434 /nfs/dbraw/zinc/21/24/34/746212434.db2.gz MXLCECLWLYACOA-IAGOWNOFSA-N 1 1 328.416 0.670 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC000978358157 746239798 /nfs/dbraw/zinc/23/97/98/746239798.db2.gz RHIZYXZEZJADPQ-QKDCVEJESA-N 1 1 338.473 0.681 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc[nH]1)C2 ZINC001001332536 746284362 /nfs/dbraw/zinc/28/43/62/746284362.db2.gz YZGOFPURZSYSTP-SIXLDLHFSA-N 1 1 340.427 0.974 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc[nH]1)C2 ZINC001001332536 746284365 /nfs/dbraw/zinc/28/43/65/746284365.db2.gz YZGOFPURZSYSTP-SIXLDLHFSA-N 1 1 340.427 0.974 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001001365694 746311119 /nfs/dbraw/zinc/31/11/19/746311119.db2.gz DUFCVCLZQAARCI-UHFFFAOYSA-N 1 1 334.376 0.834 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@@H](C)C(=O)N(C)C)CC2)cn1 ZINC001001382652 746329010 /nfs/dbraw/zinc/32/90/10/746329010.db2.gz ZHJJSKQRDLWAQX-AWEZNQCLSA-N 1 1 340.427 0.902 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2CC)cn1 ZINC001087802420 746363116 /nfs/dbraw/zinc/36/31/16/746363116.db2.gz PHYPHHPNMFVNCK-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2CC)cn1 ZINC001087802420 746363121 /nfs/dbraw/zinc/36/31/21/746363121.db2.gz PHYPHHPNMFVNCK-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1CC ZINC001087815585 746395717 /nfs/dbraw/zinc/39/57/17/746395717.db2.gz RTVMPBYNKSGEIH-LSDHHAIUSA-N 1 1 335.452 0.826 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC000982387605 752087825 /nfs/dbraw/zinc/08/78/25/752087825.db2.gz XFAVUCRCMZEQLP-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC000982387605 752087834 /nfs/dbraw/zinc/08/78/34/752087834.db2.gz XFAVUCRCMZEQLP-ZBFHGGJFSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]c1)C2 ZINC001001471016 746411629 /nfs/dbraw/zinc/41/16/29/746411629.db2.gz UPRCYXKMJPIXJL-WCVJEAGWSA-N 1 1 341.415 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]c1)C2 ZINC001001471016 746411630 /nfs/dbraw/zinc/41/16/30/746411630.db2.gz UPRCYXKMJPIXJL-WCVJEAGWSA-N 1 1 341.415 0.369 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2c(OC)ncnc2OC)CC1 ZINC001001486896 746425122 /nfs/dbraw/zinc/42/51/22/746425122.db2.gz MVLZNDMPZFPICE-UHFFFAOYSA-N 1 1 330.388 0.879 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccon1)C2 ZINC001001491271 746429267 /nfs/dbraw/zinc/42/92/67/746429267.db2.gz SOWWPEBEDJXLDS-OJLVUWQFSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccon1)C2 ZINC001001491271 746429268 /nfs/dbraw/zinc/42/92/68/746429268.db2.gz SOWWPEBEDJXLDS-OJLVUWQFSA-N 1 1 342.399 0.634 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CCN(C(=O)C(C)C)CC3)[C@@H]2C1 ZINC000978559446 746441108 /nfs/dbraw/zinc/44/11/08/746441108.db2.gz IPKYGZYOYSRWKC-OSYLJGHBSA-N 1 1 331.460 0.808 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)c[nH]1 ZINC001083418113 746447266 /nfs/dbraw/zinc/44/72/66/746447266.db2.gz SOKVFYHATLNHFT-CVEARBPZSA-N 1 1 332.404 0.478 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978651799 746525356 /nfs/dbraw/zinc/52/53/56/746525356.db2.gz SLCQULSZFKYKKH-OSAQELSMSA-N 1 1 329.404 0.605 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)nc1 ZINC001027656341 746596894 /nfs/dbraw/zinc/59/68/94/746596894.db2.gz NRPAHBWKBUOFED-DOTOQJQBSA-N 1 1 340.427 0.830 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978737790 746633135 /nfs/dbraw/zinc/63/31/35/746633135.db2.gz IKIGMRFLXACICI-KCQAQPDRSA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC000978737973 746633185 /nfs/dbraw/zinc/63/31/85/746633185.db2.gz HHRUOSSWIBJOGK-FPCVCCKLSA-N 1 1 344.463 0.886 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)nn1 ZINC001087911442 746646307 /nfs/dbraw/zinc/64/63/07/746646307.db2.gz VTVPSRBDDUQXQW-MJBXVCDLSA-N 1 1 329.404 0.925 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)s1 ZINC001087915598 746654462 /nfs/dbraw/zinc/65/44/62/746654462.db2.gz SRMXDZZETMMFLP-NEPJUHHUSA-N 1 1 332.429 0.775 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)c[nH]1 ZINC001007135252 752114188 /nfs/dbraw/zinc/11/41/88/752114188.db2.gz UZDABRSEJSLHFR-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c[nH]1 ZINC001007135252 752114190 /nfs/dbraw/zinc/11/41/90/752114190.db2.gz UZDABRSEJSLHFR-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)c1 ZINC001029466853 746699675 /nfs/dbraw/zinc/69/96/75/746699675.db2.gz NFOJGMHGHLAMAP-BBWFWOEESA-N 1 1 338.411 0.630 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc(C4CC4)[nH]c3=O)[C@@H]2C1 ZINC000978801613 746721560 /nfs/dbraw/zinc/72/15/60/746721560.db2.gz CVGJGZFDAGPSSB-XMQYKBBCSA-N 1 1 326.400 0.991 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001027673171 746735232 /nfs/dbraw/zinc/73/52/32/746735232.db2.gz DYOXTIBBJBJKJK-RYUDHWBXSA-N 1 1 342.827 0.650 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001027673171 746735237 /nfs/dbraw/zinc/73/52/37/746735237.db2.gz DYOXTIBBJBJKJK-RYUDHWBXSA-N 1 1 342.827 0.650 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(CC=C)nn3)C2)nn1 ZINC001105340559 746736632 /nfs/dbraw/zinc/73/66/32/746736632.db2.gz FLLPGIWAHSKDMJ-UHFFFAOYSA-N 1 1 328.380 0.028 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC001001812735 746741178 /nfs/dbraw/zinc/74/11/78/746741178.db2.gz QNHRQDACPROFAB-UHFFFAOYSA-N 1 1 349.456 0.549 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@H](CC)OC)C[C@H]32)nn1 ZINC000978822390 746750638 /nfs/dbraw/zinc/75/06/38/746750638.db2.gz XUUGLRAIUBJYAV-ZQDZILKHSA-N 1 1 333.436 0.797 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H]2C1 ZINC000978860810 746808842 /nfs/dbraw/zinc/80/88/42/746808842.db2.gz WFCLHHNEYLZRLO-OVYGPGRDSA-N 1 1 330.432 0.768 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978905604 746864924 /nfs/dbraw/zinc/86/49/24/746864924.db2.gz NWGLOGCGRBRJSB-FPCVCCKLSA-N 1 1 343.431 0.246 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccnc4nc(C)nn43)[C@@H]2C1 ZINC000978938677 746918375 /nfs/dbraw/zinc/91/83/75/746918375.db2.gz DNSRCPHJXXBYQV-ZSOGYDGISA-N 1 1 326.404 0.916 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2conc2C)C1 ZINC000978952588 746945496 /nfs/dbraw/zinc/94/54/96/746945496.db2.gz JWHZSUQJOWRUPQ-LZWOXQAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2conc2C)C1 ZINC000978952588 746945500 /nfs/dbraw/zinc/94/55/00/746945500.db2.gz JWHZSUQJOWRUPQ-LZWOXQAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C2CCOCC2)C1 ZINC000978953236 746947174 /nfs/dbraw/zinc/94/71/74/746947174.db2.gz MDPMCBZDQUVBJQ-UAGQMJEPSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C2CCOCC2)C1 ZINC000978953236 746947178 /nfs/dbraw/zinc/94/71/78/746947178.db2.gz MDPMCBZDQUVBJQ-UAGQMJEPSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000978953212 746947238 /nfs/dbraw/zinc/94/72/38/746947238.db2.gz LXRSHBHLWKXFGW-UAGQMJEPSA-N 1 1 345.443 0.442 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000978953212 746947244 /nfs/dbraw/zinc/94/72/44/746947244.db2.gz LXRSHBHLWKXFGW-UAGQMJEPSA-N 1 1 345.443 0.442 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cccn2C)C1 ZINC000978954720 746951014 /nfs/dbraw/zinc/95/10/14/746951014.db2.gz WWHXCFZVCLRGSH-UXLLHSPISA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cccn2C)C1 ZINC000978954720 746951016 /nfs/dbraw/zinc/95/10/16/746951016.db2.gz WWHXCFZVCLRGSH-UXLLHSPISA-N 1 1 342.443 0.747 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001059446283 746981189 /nfs/dbraw/zinc/98/11/89/746981189.db2.gz OPISQMSDRWCMTI-KBUPBQIOSA-N 1 1 342.403 0.271 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC000978979014 746988034 /nfs/dbraw/zinc/98/80/34/746988034.db2.gz XFOALJPEFGQGCM-MIGQKNRLSA-N 1 1 329.400 0.382 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2CCN([C@H]3CCNC3=O)CC2)CC1 ZINC001002145485 747024086 /nfs/dbraw/zinc/02/40/86/747024086.db2.gz QMLIVHSZIAKCSP-KRWDZBQOSA-N 1 1 346.475 0.048 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCc4cnn(C)c4)C[C@H]32)cn1 ZINC000979004431 747030802 /nfs/dbraw/zinc/03/08/02/747030802.db2.gz NANJHPGGBOTYGK-LDLYASANSA-N 1 1 349.438 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)cn1 ZINC000979012979 747046700 /nfs/dbraw/zinc/04/67/00/747046700.db2.gz FBHFLQRSTQAOBE-OSYLJGHBSA-N 1 1 338.411 0.249 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000984890190 747048405 /nfs/dbraw/zinc/04/84/05/747048405.db2.gz CDQJXRHSNBWEHE-IVMMDQJWSA-N 1 1 343.431 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)nc1 ZINC000979013805 747048392 /nfs/dbraw/zinc/04/83/92/747048392.db2.gz GEQMIBAFRVHFCZ-HGTKMLMNSA-N 1 1 326.400 0.234 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@@H]2C1 ZINC001088010100 747050128 /nfs/dbraw/zinc/05/01/28/747050128.db2.gz JEDDWYWPAMOFQF-OWCLPIDISA-N 1 1 342.443 0.871 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)nc1 ZINC000979015956 747062194 /nfs/dbraw/zinc/06/21/94/747062194.db2.gz JEOLYGXKDKTNHS-PHZGNYQRSA-N 1 1 336.399 0.262 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@@H]2C1 ZINC001088033354 747110970 /nfs/dbraw/zinc/11/09/70/747110970.db2.gz FLGPXFZDCXJJRD-CVEARBPZSA-N 1 1 341.411 0.578 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)CSCC#N ZINC001211888576 747122698 /nfs/dbraw/zinc/12/26/98/747122698.db2.gz CXJDJHBNTGTQLR-MGPQQGTHSA-N 1 1 327.450 0.628 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)COc3c(C)occc3=O)C[C@@H]2C1 ZINC001088036159 747123726 /nfs/dbraw/zinc/12/37/26/747123726.db2.gz WKFYMNGFMWGGHM-CABCVRRESA-N 1 1 330.384 0.741 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCCS3(=O)=O)C[C@@H]2C1 ZINC001088042903 747133292 /nfs/dbraw/zinc/13/32/92/747133292.db2.gz NUYAXJBPEYQOQC-CABCVRRESA-N 1 1 341.477 0.378 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088053620 747156910 /nfs/dbraw/zinc/15/69/10/747156910.db2.gz RFIXVHXPWWHWEB-ILXRZTDVSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088053620 747156913 /nfs/dbraw/zinc/15/69/13/747156913.db2.gz RFIXVHXPWWHWEB-ILXRZTDVSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nncn4C3)[C@@H]2C1 ZINC000979092683 747163025 /nfs/dbraw/zinc/16/30/25/747163025.db2.gz UBJAYFXYZZBKMX-XDQVBPFNSA-N 1 1 335.839 0.887 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001002339431 747230786 /nfs/dbraw/zinc/23/07/86/747230786.db2.gz RNHIMXZAIGMXBS-CABCVRRESA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(=O)CCC)C2)nn1 ZINC001098628856 747242300 /nfs/dbraw/zinc/24/23/00/747242300.db2.gz FROKWLLWZXVVDT-HNNXBMFYSA-N 1 1 348.451 0.634 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4nccn4)[C@@H]3C2)c1 ZINC001075835514 747253891 /nfs/dbraw/zinc/25/38/91/747253891.db2.gz VFXFUPGPUVLUOP-DLBZAZTESA-N 1 1 336.399 0.883 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2conc2C)C1 ZINC000979212571 747405100 /nfs/dbraw/zinc/40/51/00/747405100.db2.gz CMTAUTMSADQOAJ-LZWOXQAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2conc2C)C1 ZINC000979212571 747405103 /nfs/dbraw/zinc/40/51/03/747405103.db2.gz CMTAUTMSADQOAJ-LZWOXQAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001088127684 747445112 /nfs/dbraw/zinc/44/51/12/747445112.db2.gz JDTDQRZRPOQMIR-CVEARBPZSA-N 1 1 338.473 0.615 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)nc2)C1 ZINC001105410377 747452565 /nfs/dbraw/zinc/45/25/65/747452565.db2.gz WJNVCNINVQZHEY-MRXNPFEDSA-N 1 1 331.420 0.569 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)nc2)C1 ZINC001105410377 747452566 /nfs/dbraw/zinc/45/25/66/747452566.db2.gz WJNVCNINVQZHEY-MRXNPFEDSA-N 1 1 331.420 0.569 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](C[C@H](C)O)CC[C@@H]3C2)nn1 ZINC001088135592 747466901 /nfs/dbraw/zinc/46/69/01/747466901.db2.gz RYTWRNOKSOVEMF-ZNMIVQPWSA-N 1 1 333.436 0.629 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncnn1C)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979266809 747468326 /nfs/dbraw/zinc/46/83/26/747468326.db2.gz IQLSRPBBMIXCPU-RISCZKNCSA-N 1 1 343.391 0.034 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)O ZINC001029557264 747488211 /nfs/dbraw/zinc/48/82/11/747488211.db2.gz HZQDAHRYPQMDBI-SOUVJXGZSA-N 1 1 329.400 0.763 20 30 ECEDMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979289253 747518759 /nfs/dbraw/zinc/51/87/59/747518759.db2.gz HINZJAAMXKHGBV-ABAIWWIYSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@@H]([NH2+]Cc1nncn1C)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979292275 747525531 /nfs/dbraw/zinc/52/55/31/747525531.db2.gz LEWSIRTWAGZHSP-RISCZKNCSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979282208 747528492 /nfs/dbraw/zinc/52/84/92/747528492.db2.gz XCPUUOFBUXXQLF-BXUZGUMPSA-N 1 1 343.391 0.034 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)nn1 ZINC001105342514 747580872 /nfs/dbraw/zinc/58/08/72/747580872.db2.gz IOLXBQOMNOFLEC-GDBMZVCRSA-N 1 1 343.435 0.291 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)N3CCOCC3)C2)nn1 ZINC001105342723 747587734 /nfs/dbraw/zinc/58/77/34/747587734.db2.gz SSJGNWYDWZFSIM-UHFFFAOYSA-N 1 1 348.451 0.048 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3cnsn3)CC2)C1=O ZINC000985301236 747662069 /nfs/dbraw/zinc/66/20/69/747662069.db2.gz ZWMICUCUPVUDJG-AWEZNQCLSA-N 1 1 349.460 0.861 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)nc1 ZINC001088173946 747683254 /nfs/dbraw/zinc/68/32/54/747683254.db2.gz AMBYRJHWVYJRKS-CVEARBPZSA-N 1 1 340.427 0.545 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2nnnn2C2CC2)C1 ZINC000979380728 747707787 /nfs/dbraw/zinc/70/77/87/747707787.db2.gz UPWYGFINJBKZAM-OCCSQVGLSA-N 1 1 348.451 0.926 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@H]([C@H](C)[NH2+]Cc3cnon3)C2)c1 ZINC000979410643 747762198 /nfs/dbraw/zinc/76/21/98/747762198.db2.gz OAUBXZGUIGUTGV-LRDDRELGSA-N 1 1 341.371 0.465 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]2C1 ZINC001088220210 747764547 /nfs/dbraw/zinc/76/45/47/747764547.db2.gz QVXRJBRLVDYDFJ-CABCVRRESA-N 1 1 326.400 0.598 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001088234606 747802894 /nfs/dbraw/zinc/80/28/94/747802894.db2.gz XHOZZLBMVBAYGW-QGZVFWFLSA-N 1 1 345.447 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccncc2)C1 ZINC001002828761 747844251 /nfs/dbraw/zinc/84/42/51/747844251.db2.gz GYXKRQZYIBONRK-INIZCTEOSA-N 1 1 326.400 0.367 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccncc2)C1 ZINC001002828761 747844261 /nfs/dbraw/zinc/84/42/61/747844261.db2.gz GYXKRQZYIBONRK-INIZCTEOSA-N 1 1 326.400 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccnc(C)n2)C1 ZINC001002835827 747857503 /nfs/dbraw/zinc/85/75/03/747857503.db2.gz QEHARUVUQZMANQ-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccnc(C)n2)C1 ZINC001002835827 747857512 /nfs/dbraw/zinc/85/75/12/747857512.db2.gz QEHARUVUQZMANQ-INIZCTEOSA-N 1 1 341.415 0.071 20 30 ECEDMO C[N@@H+](C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1)[C@@H]1CCCNC1=O ZINC000985392200 747886273 /nfs/dbraw/zinc/88/62/73/747886273.db2.gz RNDQQNWAPDRCSO-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cnccn3)C2)C1=O ZINC001029631156 747927611 /nfs/dbraw/zinc/92/76/11/747927611.db2.gz GILRTMGEBXVBQA-GOEBONIOSA-N 1 1 343.431 0.657 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cnccn3)C2)C1=O ZINC001029631155 747927680 /nfs/dbraw/zinc/92/76/80/747927680.db2.gz GILRTMGEBXVBQA-GDBMZVCRSA-N 1 1 343.431 0.657 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(CO[C@H]3CCN(CC#N)C3)CC2)C1 ZINC001088240287 747938161 /nfs/dbraw/zinc/93/81/61/747938161.db2.gz UNDBZIUGSAFMHX-IRXDYDNUSA-N 1 1 334.464 0.791 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3ccn(C)n3)CC2)C1 ZINC001088240025 747941403 /nfs/dbraw/zinc/94/14/03/747941403.db2.gz NJFCYVGTMHZWSV-INIZCTEOSA-N 1 1 330.432 0.996 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ocnc2C)C1=O ZINC001027807077 747941919 /nfs/dbraw/zinc/94/19/19/747941919.db2.gz BNBSDCPZDQJIBB-ZIAGYGMSSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ocnc2C)C1=O ZINC001027807077 747941921 /nfs/dbraw/zinc/94/19/21/747941921.db2.gz BNBSDCPZDQJIBB-ZIAGYGMSSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ocnc2C)C1=O ZINC001027807072 747941933 /nfs/dbraw/zinc/94/19/33/747941933.db2.gz BNBSDCPZDQJIBB-KBPBESRZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ocnc2C)C1=O ZINC001027807072 747941936 /nfs/dbraw/zinc/94/19/36/747941936.db2.gz BNBSDCPZDQJIBB-KBPBESRZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)c3cnn(C)c3)C2)C1=O ZINC001029643427 747965531 /nfs/dbraw/zinc/96/55/31/747965531.db2.gz RCGAPGMUSKRMBV-ZBFHGGJFSA-N 1 1 345.447 0.601 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cn[nH]c3)C2)C1=O ZINC001029660791 748002474 /nfs/dbraw/zinc/00/24/74/748002474.db2.gz ZOIFNWHYMHGUNQ-DZGCQCFKSA-N 1 1 331.420 0.591 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001027813637 748008845 /nfs/dbraw/zinc/00/88/45/748008845.db2.gz XUKGPKYQAGQMMX-HNNXBMFYSA-N 1 1 341.419 0.989 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979567982 748056634 /nfs/dbraw/zinc/05/66/34/748056634.db2.gz SLCQULSZFKYKKH-WHOFXGATSA-N 1 1 329.404 0.605 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@H]1CCCNC1=O ZINC001029708066 748110497 /nfs/dbraw/zinc/11/04/97/748110497.db2.gz KQDGNBWHORJFER-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001003045466 748113285 /nfs/dbraw/zinc/11/32/85/748113285.db2.gz WQCCGWFNYHMTBY-OAGGEKHMSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001003046749 748114015 /nfs/dbraw/zinc/11/40/15/748114015.db2.gz FFLSFJWXSXOPDW-IRXDYDNUSA-N 1 1 346.475 0.143 20 30 ECEDMO CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001029708407 748115238 /nfs/dbraw/zinc/11/52/38/748115238.db2.gz QIBKHBKMSPHKRZ-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cncnc3)C2)C1=O ZINC001029714275 748128644 /nfs/dbraw/zinc/12/86/44/748128644.db2.gz ZZHHSNRYXAPBNJ-HOCLYGCPSA-N 1 1 343.431 0.657 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1=O ZINC001029733431 748176015 /nfs/dbraw/zinc/17/60/15/748176015.db2.gz JRAINNNLQPALEE-IRXDYDNUSA-N 1 1 329.444 0.967 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059553582 748274587 /nfs/dbraw/zinc/27/45/87/748274587.db2.gz VMQDIYCJYUXBNM-BRWVUGGUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059553582 748274590 /nfs/dbraw/zinc/27/45/90/748274590.db2.gz VMQDIYCJYUXBNM-BRWVUGGUSA-N 1 1 349.475 0.864 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C[C@@H]2CCNC(=O)CC2)[nH]1 ZINC001027831182 748275360 /nfs/dbraw/zinc/27/53/60/748275360.db2.gz NMRUIZHCYKNOBN-DZGCQCFKSA-N 1 1 343.431 0.997 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)C[N@H+](C)CCCCCC)C2)nn1 ZINC001105344225 748289482 /nfs/dbraw/zinc/28/94/82/748289482.db2.gz TZMCNTVPODEMOQ-UHFFFAOYSA-N 1 1 346.479 0.896 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001059553898 748308076 /nfs/dbraw/zinc/30/80/76/748308076.db2.gz AJUYCZITVMJJJU-CRAIPNDOSA-N 1 1 348.447 0.873 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nnn(C(C)(C)C)n3)C[C@H]2C1 ZINC000979736829 748315006 /nfs/dbraw/zinc/31/50/06/748315006.db2.gz XULBGZBCVCRTKW-SOUVJXGZSA-N 1 1 344.463 0.821 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccn4nnnc34)C[C@H]2C1 ZINC000979745290 748332038 /nfs/dbraw/zinc/33/20/38/748332038.db2.gz LUFANNCWORTEPH-KKUMJFAQSA-N 1 1 338.415 0.978 20 30 ECEDMO Cn1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1=O ZINC001027834336 748337625 /nfs/dbraw/zinc/33/76/25/748337625.db2.gz YBSNRDGBIGJBBE-OAHLLOKOSA-N 1 1 339.399 0.979 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CCN2C(=O)CCC2=O)c[nH]1 ZINC001027836988 748407640 /nfs/dbraw/zinc/40/76/40/748407640.db2.gz ZKNBLLZHCMDTCP-CQSZACIVSA-N 1 1 343.387 0.230 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC000979795382 748411342 /nfs/dbraw/zinc/41/13/42/748411342.db2.gz LVKVGYPYSFKEAL-QLFBSQMISA-N 1 1 330.432 0.990 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2C1 ZINC000979795384 748411702 /nfs/dbraw/zinc/41/17/02/748411702.db2.gz LVKVGYPYSFKEAL-RRFJBIMHSA-N 1 1 330.432 0.990 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC000985528697 748414422 /nfs/dbraw/zinc/41/44/22/748414422.db2.gz WTQLQNKSXBVTKT-UHFFFAOYSA-N 1 1 329.400 0.720 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(=O)n(C)cn3)C[C@H]2C1 ZINC000979798872 748415896 /nfs/dbraw/zinc/41/58/96/748415896.db2.gz VYCPABPJCNOGLG-KKUMJFAQSA-N 1 1 328.416 0.634 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001088281784 748482518 /nfs/dbraw/zinc/48/25/18/748482518.db2.gz TVJAMZQANUFKDS-KGLIPLIRSA-N 1 1 346.435 0.829 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000979858146 748537923 /nfs/dbraw/zinc/53/79/23/748537923.db2.gz XHPFAODTUYHHHM-VIQHNZTISA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3cnoc3)C2)C1=O ZINC001029815573 748558437 /nfs/dbraw/zinc/55/84/37/748558437.db2.gz OGDSCKHQMPIDPG-GDBMZVCRSA-N 1 1 346.431 0.784 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC([N@@H+](C)CCN2C(=O)CNC2=O)CC1 ZINC000985571483 748560415 /nfs/dbraw/zinc/56/04/15/748560415.db2.gz OPGDJLSACRPYRX-UHFFFAOYSA-N 1 1 336.436 0.673 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nc1 ZINC001003468412 748585806 /nfs/dbraw/zinc/58/58/06/748585806.db2.gz QWFCVWYHENAGBM-AWEZNQCLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)c1 ZINC001029834306 748665186 /nfs/dbraw/zinc/66/51/86/748665186.db2.gz CKMMQCAODYLRPA-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC001003614976 748728937 /nfs/dbraw/zinc/72/89/37/748728937.db2.gz IXXVNPHDBYHGSH-KGLIPLIRSA-N 1 1 343.855 0.955 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nccn2CC)C1=O ZINC001027855886 748745049 /nfs/dbraw/zinc/74/50/49/748745049.db2.gz ZGFJOBWQVRKPDT-CABCVRRESA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nccn2CC)C1=O ZINC001027855886 748745057 /nfs/dbraw/zinc/74/50/57/748745057.db2.gz ZGFJOBWQVRKPDT-CABCVRRESA-N 1 1 345.447 0.884 20 30 ECEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)C1CCN(C(=O)C(N)=O)CC1 ZINC000985617877 748748771 /nfs/dbraw/zinc/74/87/71/748748771.db2.gz NGMUUKRFZRQDPI-UHFFFAOYSA-N 1 1 330.388 0.497 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000979966662 748758202 /nfs/dbraw/zinc/75/82/02/748758202.db2.gz BWGQQQYZLIXSPJ-FPXQBCRKSA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC000979966662 748758204 /nfs/dbraw/zinc/75/82/04/748758204.db2.gz BWGQQQYZLIXSPJ-FPXQBCRKSA-N 1 1 347.459 0.522 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@H+](C)[C@H]3CCCNC3=O)CC2)c1 ZINC000985638417 748773999 /nfs/dbraw/zinc/77/39/99/748773999.db2.gz VISYDTJYNPLDBU-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncc[nH]1 ZINC001003675730 748784312 /nfs/dbraw/zinc/78/43/12/748784312.db2.gz ZIQAEOFMMZCMTP-KBXIAJHMSA-N 1 1 341.415 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncc[nH]1 ZINC001003675730 748784315 /nfs/dbraw/zinc/78/43/15/748784315.db2.gz ZIQAEOFMMZCMTP-KBXIAJHMSA-N 1 1 341.415 0.369 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC)C1 ZINC001058816173 748808197 /nfs/dbraw/zinc/80/81/97/748808197.db2.gz LLEDGTWSBVCKIN-UHFFFAOYSA-N 1 1 325.453 0.622 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC001059624467 748876959 /nfs/dbraw/zinc/87/69/59/748876959.db2.gz QEBIHEFNOWICKB-DJIMGWMZSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)O1 ZINC001059624467 748876966 /nfs/dbraw/zinc/87/69/66/748876966.db2.gz QEBIHEFNOWICKB-DJIMGWMZSA-N 1 1 347.459 0.474 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]2C1 ZINC000980080865 748949717 /nfs/dbraw/zinc/94/97/17/748949717.db2.gz CAHVKPIOIHYPIY-SOUVJXGZSA-N 1 1 333.436 0.375 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cnon3)C2)nn1 ZINC001029859682 748952199 /nfs/dbraw/zinc/95/21/99/748952199.db2.gz GYIXMKLKBREWAV-GFCCVEGCSA-N 1 1 331.380 0.441 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cnon3)C2)nn1 ZINC001029859682 748952202 /nfs/dbraw/zinc/95/22/02/748952202.db2.gz GYIXMKLKBREWAV-GFCCVEGCSA-N 1 1 331.380 0.441 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ncccc2F)C1 ZINC001003861284 748981757 /nfs/dbraw/zinc/98/17/57/748981757.db2.gz XSQUXQHPCKPCJG-HNNXBMFYSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ncccc2F)C1 ZINC001003861284 748981761 /nfs/dbraw/zinc/98/17/61/748981761.db2.gz XSQUXQHPCKPCJG-HNNXBMFYSA-N 1 1 344.390 0.507 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001088384873 748998164 /nfs/dbraw/zinc/99/81/64/748998164.db2.gz RLVMYLRJLQEGIP-KFWWJZLASA-N 1 1 348.451 0.662 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC000985755612 749017739 /nfs/dbraw/zinc/01/77/39/749017739.db2.gz UYOVCOUNIRNOPA-UHFFFAOYSA-N 1 1 342.827 0.556 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)[C@H]3CCCNC3=O)CC2)cn1 ZINC000985758040 749021058 /nfs/dbraw/zinc/02/10/58/749021058.db2.gz UERVEPNWBBBZOE-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000980127604 749024330 /nfs/dbraw/zinc/02/43/30/749024330.db2.gz LDVOUFLRSJISIV-IYXRBSQSSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cnon3)C2)nn1 ZINC001029862958 749043623 /nfs/dbraw/zinc/04/36/23/749043623.db2.gz CMQZGOPAYKQKFH-ZDUSSCGKSA-N 1 1 345.407 0.831 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cnon3)C2)nn1 ZINC001029862958 749043628 /nfs/dbraw/zinc/04/36/28/749043628.db2.gz CMQZGOPAYKQKFH-ZDUSSCGKSA-N 1 1 345.407 0.831 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(=O)c(OC)c[nH]3)C[C@H]2C1 ZINC000980138795 749049388 /nfs/dbraw/zinc/04/93/88/749049388.db2.gz FFNSCYBRCBPKMS-IHRRRGAJSA-N 1 1 329.400 0.847 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC000985780603 749077622 /nfs/dbraw/zinc/07/76/22/749077622.db2.gz AFDJPGZZMLBJNF-LBPRGKRZSA-N 1 1 342.827 0.650 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001059648735 749111478 /nfs/dbraw/zinc/11/14/78/749111478.db2.gz YNIABKKLCDGNNN-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C#N)cn1 ZINC001126255320 749151141 /nfs/dbraw/zinc/15/11/41/749151141.db2.gz SSTXLAATWBTOAP-OAHLLOKOSA-N 1 1 331.420 0.616 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001059654789 749154185 /nfs/dbraw/zinc/15/41/85/749154185.db2.gz WQWZGSROSDYJNB-XHSDSOJGSA-N 1 1 329.404 0.733 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001059654789 749154189 /nfs/dbraw/zinc/15/41/89/749154189.db2.gz WQWZGSROSDYJNB-XHSDSOJGSA-N 1 1 329.404 0.733 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H](C)OC)CC2)CC1 ZINC000985823292 749174734 /nfs/dbraw/zinc/17/47/34/749174734.db2.gz VEWRUINYOCHRKK-HNNXBMFYSA-N 1 1 338.452 0.479 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cnon3)CC2)CC1 ZINC000985828877 749191587 /nfs/dbraw/zinc/19/15/87/749191587.db2.gz ZVLICOTYHIPDIH-UHFFFAOYSA-N 1 1 348.407 0.141 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CN(C(=O)CNS(=O)(=O)CCCC)C[C@]2(C)C1 ZINC001101446997 749197483 /nfs/dbraw/zinc/19/74/83/749197483.db2.gz UQRHGPPIRISEBD-ZBFHGGJFSA-N 1 1 341.477 0.119 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC000980239908 749243583 /nfs/dbraw/zinc/24/35/83/749243583.db2.gz BQOOYIVXCNIFNI-KKUMJFAQSA-N 1 1 348.447 0.673 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC000980241503 749246740 /nfs/dbraw/zinc/24/67/40/749246740.db2.gz FSFKFLUOJSFJOZ-MELADBBJSA-N 1 1 341.415 0.429 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(CC(N)=O)nn3)C[C@H]2C1 ZINC000980259326 749251249 /nfs/dbraw/zinc/25/12/49/749251249.db2.gz XXLXCHBEUPZCJP-IHRRRGAJSA-N 1 1 346.435 0.170 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CCN(C(N)=O)CC3)C[C@H]2C1 ZINC000980252753 749258890 /nfs/dbraw/zinc/25/88/90/749258890.db2.gz LHLKIZJVHVQNGC-HRCADAONSA-N 1 1 332.448 0.627 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC000980256632 749263911 /nfs/dbraw/zinc/26/39/11/749263911.db2.gz UXAYXGSCMFMSAM-SOUVJXGZSA-N 1 1 331.416 0.375 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)n3C)C[C@@H]2C1 ZINC000980257289 749264365 /nfs/dbraw/zinc/26/43/65/749264365.db2.gz SZVQBRASBNRSGK-RRFJBIMHSA-N 1 1 330.432 0.577 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3[nH]cnc3C)C2)C1=O ZINC000980268405 749278355 /nfs/dbraw/zinc/27/83/55/749278355.db2.gz GRZGUTIVVRHNAQ-GDBMZVCRSA-N 1 1 345.447 0.580 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001004198606 749305487 /nfs/dbraw/zinc/30/54/87/749305487.db2.gz FXUQXLCHOOGFAI-HNNXBMFYSA-N 1 1 340.427 0.593 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN(Cc3n[nH]c(C)n3)CC2)CC1 ZINC001004202243 749308962 /nfs/dbraw/zinc/30/89/62/749308962.db2.gz XGGFUYMGZDIFRO-UHFFFAOYSA-N 1 1 344.463 0.539 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CCNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001059674569 749341228 /nfs/dbraw/zinc/34/12/28/749341228.db2.gz QLIKONBEDXVHBA-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(OCC(N)=O)c1 ZINC001027917680 749397641 /nfs/dbraw/zinc/39/76/41/749397641.db2.gz IBSPPKZEBNQTKV-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001059679706 749408293 /nfs/dbraw/zinc/40/82/93/749408293.db2.gz OTDBKNMKCQRJHN-ZBFHGGJFSA-N 1 1 346.431 0.585 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1nccnc1C(N)=O)C2 ZINC001054238584 767849306 /nfs/dbraw/zinc/84/93/06/767849306.db2.gz YFXZJIHVDPZOPA-KRWDZBQOSA-N 1 1 329.404 0.690 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC000980386234 749485318 /nfs/dbraw/zinc/48/53/18/749485318.db2.gz HUPSETWWCJAMDF-LBPRGKRZSA-N 1 1 334.811 0.952 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC000980386234 749485320 /nfs/dbraw/zinc/48/53/20/749485320.db2.gz HUPSETWWCJAMDF-LBPRGKRZSA-N 1 1 334.811 0.952 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1)C2 ZINC001004440427 749498837 /nfs/dbraw/zinc/49/88/37/749498837.db2.gz DQCUDGALOJSSAK-SMDDNHRTSA-N 1 1 329.404 0.488 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001004456240 749522836 /nfs/dbraw/zinc/52/28/36/749522836.db2.gz GLCDBVOUCOOSDR-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001004475424 749545190 /nfs/dbraw/zinc/54/51/90/749545190.db2.gz GQXIVVCMENMOOB-OAHLLOKOSA-N 1 1 344.415 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCNC2=O)CC1 ZINC001004476548 749546790 /nfs/dbraw/zinc/54/67/90/749546790.db2.gz LRGXESIJDLHRBF-INIZCTEOSA-N 1 1 332.448 0.738 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001004497182 749569650 /nfs/dbraw/zinc/56/96/50/749569650.db2.gz ABDXFJMQEOLOBP-QGZVFWFLSA-N 1 1 346.475 0.145 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC000980440764 749598919 /nfs/dbraw/zinc/59/89/19/749598919.db2.gz SQLNOAZKMWSTSR-KBPBESRZSA-N 1 1 329.828 0.519 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC000980440764 749598921 /nfs/dbraw/zinc/59/89/21/749598921.db2.gz SQLNOAZKMWSTSR-KBPBESRZSA-N 1 1 329.828 0.519 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029921300 749622508 /nfs/dbraw/zinc/62/25/08/749622508.db2.gz GHUCIEROLZZVMG-IAGOWNOFSA-N 1 1 340.427 0.794 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029921300 749622514 /nfs/dbraw/zinc/62/25/14/749622514.db2.gz GHUCIEROLZZVMG-IAGOWNOFSA-N 1 1 340.427 0.794 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000986166513 749626378 /nfs/dbraw/zinc/62/63/78/749626378.db2.gz JIVVUXLYHFXOPN-AAEUAGOBSA-N 1 1 342.407 0.676 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)Cc3n[nH]c(C)n3)C2)CC1 ZINC000980479350 749631595 /nfs/dbraw/zinc/63/15/95/749631595.db2.gz VCPQROACBMIRAZ-INIZCTEOSA-N 1 1 344.463 0.491 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@@H]3CCOC3)C2)CC1 ZINC000980479889 749641957 /nfs/dbraw/zinc/64/19/57/749641957.db2.gz YYGYQSNVDCMOHJ-FUHWJXTLSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C[C@@H]3CCOC3)C2)CC1 ZINC000980479889 749641966 /nfs/dbraw/zinc/64/19/66/749641966.db2.gz YYGYQSNVDCMOHJ-FUHWJXTLSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nnc(C)o1 ZINC001027943927 749676460 /nfs/dbraw/zinc/67/64/60/749676460.db2.gz PPBYWJQAGHDHFS-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nnc(C)o1 ZINC001027943927 749676465 /nfs/dbraw/zinc/67/64/65/749676465.db2.gz PPBYWJQAGHDHFS-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nonc1C ZINC001027944525 749680023 /nfs/dbraw/zinc/68/00/23/749680023.db2.gz ZCGLOXFVCIKKJL-ZBFHGGJFSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nonc1C ZINC001027944525 749680025 /nfs/dbraw/zinc/68/00/25/749680025.db2.gz ZCGLOXFVCIKKJL-ZBFHGGJFSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004619962 749696854 /nfs/dbraw/zinc/69/68/54/749696854.db2.gz DSMPPCTVIVEQEV-LSDHHAIUSA-N 1 1 339.461 0.014 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001004622628 749699761 /nfs/dbraw/zinc/69/97/61/749699761.db2.gz OITRXBDCRPXCOH-HNNXBMFYSA-N 1 1 346.431 0.989 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1C ZINC000986286352 749755023 /nfs/dbraw/zinc/75/50/23/749755023.db2.gz NMLKCADSTCUGGH-DZGCQCFKSA-N 1 1 330.436 0.966 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnn(C)c3)[C@H]2C)C1=O ZINC001088490625 749949180 /nfs/dbraw/zinc/94/91/80/749949180.db2.gz KDRULFXAHPHNLR-VNQPRFMTSA-N 1 1 345.447 0.329 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058844050 750038901 /nfs/dbraw/zinc/03/89/01/750038901.db2.gz RPRDMEPCRQPKRU-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058847987 750122256 /nfs/dbraw/zinc/12/22/56/750122256.db2.gz YXSHWOLQGFQEKG-HNNXBMFYSA-N 1 1 339.480 0.868 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001030181833 762017143 /nfs/dbraw/zinc/01/71/43/762017143.db2.gz HDDAAXFQDJORQU-INIZCTEOSA-N 1 1 332.379 0.328 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001030181833 762017150 /nfs/dbraw/zinc/01/71/50/762017150.db2.gz HDDAAXFQDJORQU-INIZCTEOSA-N 1 1 332.379 0.328 20 30 ECEDMO CC(C)COCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 ZINC001098634232 750297073 /nfs/dbraw/zinc/29/70/73/750297073.db2.gz QDJIIQUBRKVJPF-HOCLYGCPSA-N 1 1 348.451 0.973 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001028012235 750369946 /nfs/dbraw/zinc/36/99/46/750369946.db2.gz IKGVFZWTNOQQAJ-CQSZACIVSA-N 1 1 334.420 0.660 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3cccnc3)CC2)C1=O ZINC000980976812 750413451 /nfs/dbraw/zinc/41/34/51/750413451.db2.gz FIEYXGLTGWBDQY-QGZVFWFLSA-N 1 1 342.443 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3cccnc3)CC2)C1=O ZINC000980976812 750413456 /nfs/dbraw/zinc/41/34/56/750413456.db2.gz FIEYXGLTGWBDQY-QGZVFWFLSA-N 1 1 342.443 0.945 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029990516 750426020 /nfs/dbraw/zinc/42/60/20/750426020.db2.gz RFNSZZKNPDHDRM-UHFFFAOYSA-N 1 1 344.415 0.723 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccncc2)C1 ZINC001005603030 750440565 /nfs/dbraw/zinc/44/05/65/750440565.db2.gz LWJABQGOZGSISP-PBHICJAKSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccncc2)C1 ZINC001005603030 750440568 /nfs/dbraw/zinc/44/05/68/750440568.db2.gz LWJABQGOZGSISP-PBHICJAKSA-N 1 1 340.427 0.756 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)nn1 ZINC001105352076 750466448 /nfs/dbraw/zinc/46/64/48/750466448.db2.gz OVPLFEAPMWWERZ-ZDUSSCGKSA-N 1 1 343.435 0.549 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)cc1F ZINC001028072969 750487738 /nfs/dbraw/zinc/48/77/38/750487738.db2.gz PLOHIRNYGNGOTO-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)cc1F ZINC001028072969 750487745 /nfs/dbraw/zinc/48/77/45/750487745.db2.gz PLOHIRNYGNGOTO-GJZGRUSLSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028073816 750499406 /nfs/dbraw/zinc/49/94/06/750499406.db2.gz YLTBHKLVCUBCSM-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028073816 750499410 /nfs/dbraw/zinc/49/94/10/750499410.db2.gz YLTBHKLVCUBCSM-JKSUJKDBSA-N 1 1 326.400 0.775 20 30 ECEDMO Cc1nc(N(C)CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001105354992 750508627 /nfs/dbraw/zinc/50/86/27/750508627.db2.gz AVJBWLJJGNMEGD-HNNXBMFYSA-N 1 1 331.420 0.487 20 30 ECEDMO Cc1nc(N(C)CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001105354992 750508634 /nfs/dbraw/zinc/50/86/34/750508634.db2.gz AVJBWLJJGNMEGD-HNNXBMFYSA-N 1 1 331.420 0.487 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nccc(C)n3)[C@@H]2C)nn1 ZINC000987132248 750525309 /nfs/dbraw/zinc/52/53/09/750525309.db2.gz HNOXYURXCHFCKG-UONOGXRCSA-N 1 1 341.419 0.955 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nonc3C)[C@@H]2C)nn1 ZINC000987171776 750545661 /nfs/dbraw/zinc/54/56/61/750545661.db2.gz XLPVJEWYAAFOLZ-QWHCGFSZSA-N 1 1 345.407 0.938 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cncs2)C1 ZINC001005761855 750605774 /nfs/dbraw/zinc/60/57/74/750605774.db2.gz RDLJUQVGSUZOLC-OCCSQVGLSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cncs2)C1 ZINC001005761855 750605775 /nfs/dbraw/zinc/60/57/75/750605775.db2.gz RDLJUQVGSUZOLC-OCCSQVGLSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+]([C@H]2CCCN(C)C2=O)CC1 ZINC000981361322 750624738 /nfs/dbraw/zinc/62/47/38/750624738.db2.gz FIXTVDDCSCLUGE-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+]([C@H]2CCCN(C)C2=O)CC1 ZINC000981361322 750624744 /nfs/dbraw/zinc/62/47/44/750624744.db2.gz FIXTVDDCSCLUGE-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN([C@H]2CCCN(C)C2=O)CC1 ZINC000981361322 750624749 /nfs/dbraw/zinc/62/47/49/750624749.db2.gz FIXTVDDCSCLUGE-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN([C@H]2CCCN(C)C2=O)CC1 ZINC000981361322 750624755 /nfs/dbraw/zinc/62/47/55/750624755.db2.gz FIXTVDDCSCLUGE-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN([C@H](C)c2nncn2C)CC1 ZINC000981364913 750627876 /nfs/dbraw/zinc/62/78/76/750627876.db2.gz APADOWGDAYZPDA-CVEARBPZSA-N 1 1 344.463 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN([C@H](C)c2nncn2C)CC1 ZINC000981364913 750627880 /nfs/dbraw/zinc/62/78/80/750627880.db2.gz APADOWGDAYZPDA-CVEARBPZSA-N 1 1 344.463 0.508 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cn(C)cn2)C1 ZINC001005900809 750777714 /nfs/dbraw/zinc/77/77/14/750777714.db2.gz NSDUHYFOBQKXCM-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cn(C)cn2)C1 ZINC001005900809 750777717 /nfs/dbraw/zinc/77/77/17/750777717.db2.gz NSDUHYFOBQKXCM-BBRMVZONSA-N 1 1 343.431 0.094 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028108952 750891943 /nfs/dbraw/zinc/89/19/43/750891943.db2.gz BFHOMFZNGGRRGM-GJZGRUSLSA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028108952 750891951 /nfs/dbraw/zinc/89/19/51/750891951.db2.gz BFHOMFZNGGRRGM-GJZGRUSLSA-N 1 1 327.388 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CN(C(=O)c4cn[nH]c4)C3)C2)C1=O ZINC000981639472 750901987 /nfs/dbraw/zinc/90/19/87/750901987.db2.gz XCTPBODZPQYFGM-HNNXBMFYSA-N 1 1 343.431 0.735 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)c4cn[nH]c4)C3)C2)C1=O ZINC000981639473 750902148 /nfs/dbraw/zinc/90/21/48/750902148.db2.gz XCTPBODZPQYFGM-OAHLLOKOSA-N 1 1 343.431 0.735 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC000981672650 750952697 /nfs/dbraw/zinc/95/26/97/750952697.db2.gz XMBJZIBQKZSHGK-LSDHHAIUSA-N 1 1 332.448 0.987 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ncc[nH]2)C1 ZINC001006047660 750962870 /nfs/dbraw/zinc/96/28/70/750962870.db2.gz IMVWVXMDZTVGQW-OCCSQVGLSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ncc[nH]2)C1 ZINC001006047660 750962877 /nfs/dbraw/zinc/96/28/77/750962877.db2.gz IMVWVXMDZTVGQW-OCCSQVGLSA-N 1 1 329.404 0.084 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cn(C)c(=O)[nH]2)C1=O ZINC001028115321 750975415 /nfs/dbraw/zinc/97/54/15/750975415.db2.gz JGQLTKPOMVAMDR-OCCSQVGLSA-N 1 1 347.419 0.107 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCN2C(=O)CNC2=O)CC1 ZINC001028116552 750990375 /nfs/dbraw/zinc/99/03/75/750990375.db2.gz HOEQDKZUXINTBQ-HNNXBMFYSA-N 1 1 348.447 0.865 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000987624070 751043011 /nfs/dbraw/zinc/04/30/11/751043011.db2.gz BQVHMZMPACSTHJ-OSAQELSMSA-N 1 1 329.404 0.700 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)n3cccn3)C2)nn1 ZINC001105357926 751045750 /nfs/dbraw/zinc/04/57/50/751045750.db2.gz ODMKYBLOCONIMC-ZDUSSCGKSA-N 1 1 329.408 0.785 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)CN2CC(=O)NC2=O)CC1 ZINC001006148672 751072460 /nfs/dbraw/zinc/07/24/60/751072460.db2.gz ZYMVNWGZWJMYLI-UHFFFAOYSA-N 1 1 328.800 0.214 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)C(N)=O)C2 ZINC000981775035 751086042 /nfs/dbraw/zinc/08/60/42/751086042.db2.gz QBQUVBMBMITATR-KFWWJZLASA-N 1 1 335.448 0.766 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)C(N)=O)C2 ZINC000981775035 751086048 /nfs/dbraw/zinc/08/60/48/751086048.db2.gz QBQUVBMBMITATR-KFWWJZLASA-N 1 1 335.448 0.766 20 30 ECEDMO CCc1cc(NC[C@@H](O)CNC(=O)c2c[nH]c(C#N)c2)nc(C)[nH+]1 ZINC001105830955 762095051 /nfs/dbraw/zinc/09/50/51/762095051.db2.gz SDTMSZVYLCDZIB-CQSZACIVSA-N 1 1 328.376 0.750 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)N(C)C)c1 ZINC001028130154 751154889 /nfs/dbraw/zinc/15/48/89/751154889.db2.gz YWDQNIMWYCHKQP-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(C)C)c1 ZINC001028130154 751154891 /nfs/dbraw/zinc/15/48/91/751154891.db2.gz YWDQNIMWYCHKQP-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C=CCCOCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059831062 751169422 /nfs/dbraw/zinc/16/94/22/751169422.db2.gz MFGHSFUDENFAAK-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)c4cn[nH]n4)C3)C2)C1=O ZINC000981867443 751219595 /nfs/dbraw/zinc/21/95/95/751219595.db2.gz FLBCZYCDRXCWOB-CQSZACIVSA-N 1 1 344.419 0.130 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+]([C@@H](C)C(=O)NC)CC2)nc1 ZINC001006304258 751222549 /nfs/dbraw/zinc/22/25/49/751222549.db2.gz XLPBXZBPFMNZLG-ZDUSSCGKSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(-n4cnnn4)cn3)C2)C1 ZINC000981914438 751272978 /nfs/dbraw/zinc/27/29/78/751272978.db2.gz KYPLRHFNKCYYKK-UHFFFAOYSA-N 1 1 337.387 0.229 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000981935819 751294539 /nfs/dbraw/zinc/29/45/39/751294539.db2.gz UEQDJIBDZWCXED-GFCCVEGCSA-N 1 1 326.828 0.687 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000981935819 751294542 /nfs/dbraw/zinc/29/45/42/751294542.db2.gz UEQDJIBDZWCXED-GFCCVEGCSA-N 1 1 326.828 0.687 20 30 ECEDMO C=CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC000981949348 751324191 /nfs/dbraw/zinc/32/41/91/751324191.db2.gz FEMVUWXSTHLMFJ-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC000981949549 751324315 /nfs/dbraw/zinc/32/43/15/751324315.db2.gz OJHZFQKUISQOFJ-SJORKVTESA-N 1 1 347.459 0.714 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC000981949549 751324317 /nfs/dbraw/zinc/32/43/17/751324317.db2.gz OJHZFQKUISQOFJ-SJORKVTESA-N 1 1 347.459 0.714 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(C#N)cn1 ZINC001126355303 752383226 /nfs/dbraw/zinc/38/32/26/752383226.db2.gz JPQKMYORQHDKFY-HNNXBMFYSA-N 1 1 331.420 0.474 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000988615015 752383699 /nfs/dbraw/zinc/38/36/99/752383699.db2.gz VTUBJTBTOWMBBQ-RISCZKNCSA-N 1 1 342.407 0.847 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001059909826 752394088 /nfs/dbraw/zinc/39/40/88/752394088.db2.gz DGXBAEKXNVXVLY-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)COc3cnn(C)c3)C[C@@]2(C)C1 ZINC000982486861 752411306 /nfs/dbraw/zinc/41/13/06/752411306.db2.gz URGFHUPLQPELHN-HDICACEKSA-N 1 1 330.432 0.993 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001059912171 752468741 /nfs/dbraw/zinc/46/87/41/752468741.db2.gz XERHBNNOUQRUJN-PBHICJAKSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001059912171 752468744 /nfs/dbraw/zinc/46/87/44/752468744.db2.gz XERHBNNOUQRUJN-PBHICJAKSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001059911889 752473923 /nfs/dbraw/zinc/47/39/23/752473923.db2.gz RNYUZBPCIBWLBF-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001059911889 752473930 /nfs/dbraw/zinc/47/39/30/752473930.db2.gz RNYUZBPCIBWLBF-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnsn2)C1 ZINC001007519280 752475968 /nfs/dbraw/zinc/47/59/68/752475968.db2.gz NGHUHQZQXUWOJS-HIFRSBDPSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cnsn2)C1 ZINC001007519280 752475971 /nfs/dbraw/zinc/47/59/71/752475971.db2.gz NGHUHQZQXUWOJS-HIFRSBDPSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cncn2C)C1 ZINC001007519344 752476092 /nfs/dbraw/zinc/47/60/92/752476092.db2.gz OVGUJWJDJYDOLF-RDJZCZTQSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cncn2C)C1 ZINC001007519344 752476094 /nfs/dbraw/zinc/47/60/94/752476094.db2.gz OVGUJWJDJYDOLF-RDJZCZTQSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nnc(CC)o2)C1 ZINC001007520240 752477131 /nfs/dbraw/zinc/47/71/31/752477131.db2.gz ZRRSNRVFFUEMRF-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nnc(CC)o2)C1 ZINC001007520240 752477134 /nfs/dbraw/zinc/47/71/34/752477134.db2.gz ZRRSNRVFFUEMRF-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccccn3)C2)C1=O ZINC001028372583 752493237 /nfs/dbraw/zinc/49/32/37/752493237.db2.gz VSGKJSRMIILKGU-GOEBONIOSA-N 1 1 328.416 0.920 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1OC ZINC001212178022 752497342 /nfs/dbraw/zinc/49/73/42/752497342.db2.gz FWLCZNJYUVISOT-IIDMSEBBSA-N 1 1 349.431 0.028 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NCc3ncnn3CC)C2)CC1 ZINC001021093088 752534019 /nfs/dbraw/zinc/53/40/19/752534019.db2.gz YUYMVAIDUUBHED-WKILWMFISA-N 1 1 344.463 0.380 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nncn1-c1ccccc1 ZINC001126366729 752576094 /nfs/dbraw/zinc/57/60/94/752576094.db2.gz YXRBMEHWZKBTDM-QGZVFWFLSA-N 1 1 329.404 0.800 20 30 ECEDMO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1COCCO1 ZINC001028412945 752583811 /nfs/dbraw/zinc/58/38/11/752583811.db2.gz TZDIEESZZXGTPV-ROUUACIJSA-N 1 1 328.412 0.892 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000938024837 752667692 /nfs/dbraw/zinc/66/76/92/752667692.db2.gz XOYFTCSQXZANPA-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO N#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)[nH]1 ZINC001021227141 752676363 /nfs/dbraw/zinc/67/63/63/752676363.db2.gz LGQAPQTWJZKDSH-NQKGRLOXSA-N 1 1 341.415 0.890 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001007655364 752721318 /nfs/dbraw/zinc/72/13/18/752721318.db2.gz HELKVCGDQLDGTB-DYVFJYSZSA-N 1 1 345.403 0.181 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3ocnc3C)C2)C1=O ZINC001028464577 752752134 /nfs/dbraw/zinc/75/21/34/752752134.db2.gz WZLDUXHJPYPLRZ-KGLIPLIRSA-N 1 1 332.404 0.822 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465797 752756367 /nfs/dbraw/zinc/75/63/67/752756367.db2.gz MZLKGNAUMGSNTA-ROUUACIJSA-N 1 1 342.443 0.827 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1)C1CC1 ZINC001028470003 752771206 /nfs/dbraw/zinc/77/12/06/752771206.db2.gz YLIPVUGNUAUSKW-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO COCCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccnc(C#N)n1 ZINC001126372386 752793308 /nfs/dbraw/zinc/79/33/08/752793308.db2.gz CQAVIHHJCWJWEP-AWEZNQCLSA-N 1 1 346.435 0.259 20 30 ECEDMO COCCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ncccc1C#N ZINC001126372362 752793369 /nfs/dbraw/zinc/79/33/69/752793369.db2.gz BMPGWLLBVMVLGN-HNNXBMFYSA-N 1 1 345.447 0.864 20 30 ECEDMO Cn1cc(CC[N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001028490103 752829383 /nfs/dbraw/zinc/82/93/83/752829383.db2.gz FPBOLIPXJMVOIK-CYBMUJFWSA-N 1 1 326.404 0.914 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)[nH]1 ZINC001028487164 752831936 /nfs/dbraw/zinc/83/19/36/752831936.db2.gz RMDZBMHXHZLSLY-UONOGXRCSA-N 1 1 343.431 0.854 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nc2C)[C@@H](O)C1 ZINC001083460403 752885928 /nfs/dbraw/zinc/88/59/28/752885928.db2.gz GAKXUFCEZMCMOC-OIISXLGYSA-N 1 1 348.447 0.894 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cnnc(C)c3)C2)C1=O ZINC001028507042 752965338 /nfs/dbraw/zinc/96/53/38/752965338.db2.gz NXEIFNSLWBOSDW-ZBFHGGJFSA-N 1 1 343.431 0.624 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnoc2CC)C1 ZINC000991616704 762174953 /nfs/dbraw/zinc/17/49/53/762174953.db2.gz YBTQCWZVNURSPP-AWEZNQCLSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnoc2CC)C1 ZINC000991616704 762174956 /nfs/dbraw/zinc/17/49/56/762174956.db2.gz YBTQCWZVNURSPP-AWEZNQCLSA-N 1 1 330.388 0.275 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@H](CC)C2)c1=O ZINC000126241433 752993037 /nfs/dbraw/zinc/99/30/37/752993037.db2.gz WFNJJPNWRKJXEJ-AWEZNQCLSA-N 1 1 334.420 0.623 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@H](CC)C2)c1=O ZINC000126241433 752993044 /nfs/dbraw/zinc/99/30/44/752993044.db2.gz WFNJJPNWRKJXEJ-AWEZNQCLSA-N 1 1 334.420 0.623 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001007860234 753000187 /nfs/dbraw/zinc/00/01/87/753000187.db2.gz SBJMBHJRFIEIQX-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1COC(=O)N1 ZINC001028519025 753014635 /nfs/dbraw/zinc/01/46/35/753014635.db2.gz IRSRQCMHMXZQOZ-JKSUJKDBSA-N 1 1 327.384 0.585 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C ZINC001007965399 753144034 /nfs/dbraw/zinc/14/40/34/753144034.db2.gz HUKZEORYEREWFP-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC001008018477 753202703 /nfs/dbraw/zinc/20/27/03/753202703.db2.gz XVIQULYWEXNOOD-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000982665353 753257516 /nfs/dbraw/zinc/25/75/16/753257516.db2.gz OVYHKZZGPPBKKA-DVOMOZLQSA-N 1 1 343.431 0.805 20 30 ECEDMO COCc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)cs1 ZINC001051494246 762204886 /nfs/dbraw/zinc/20/48/86/762204886.db2.gz GKTWJIZAPFUWGY-YPMHNXCESA-N 1 1 338.433 0.766 20 30 ECEDMO COCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)cs1 ZINC001051494245 762205407 /nfs/dbraw/zinc/20/54/07/762205407.db2.gz GKTWJIZAPFUWGY-WCQYABFASA-N 1 1 338.433 0.766 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001008174318 753419328 /nfs/dbraw/zinc/41/93/28/753419328.db2.gz BRHPNUVHVTYGOV-SJORKVTESA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001008174318 753419332 /nfs/dbraw/zinc/41/93/32/753419332.db2.gz BRHPNUVHVTYGOV-SJORKVTESA-N 1 1 340.427 0.642 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)C1 ZINC001008177178 753426148 /nfs/dbraw/zinc/42/61/48/753426148.db2.gz ZEFDGTZXWFCGAU-HIFRSBDPSA-N 1 1 343.431 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@]3(C)C[N@H+]([C@@H](C)C(N)=O)C[C@]3(C)C2)cn1 ZINC000982744572 753458266 /nfs/dbraw/zinc/45/82/66/753458266.db2.gz MEHQFWAVIAFGQH-FASAQXTFSA-N 1 1 340.427 0.721 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000982778521 753533409 /nfs/dbraw/zinc/53/34/09/753533409.db2.gz IUWBNBKZCFXFFD-CYBMUJFWSA-N 1 1 340.387 0.670 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)c3nccnc3C(N)=O)C[C@@]2(C)C1 ZINC000982792631 753597082 /nfs/dbraw/zinc/59/70/82/753597082.db2.gz LETGODCEPNVKNT-HDICACEKSA-N 1 1 343.431 0.936 20 30 ECEDMO C=CCNCc1cn([C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001098683264 753694456 /nfs/dbraw/zinc/69/44/56/753694456.db2.gz VTWOPANHHVWMEE-MRXNPFEDSA-N 1 1 332.452 0.811 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083368818 753705233 /nfs/dbraw/zinc/70/52/33/753705233.db2.gz XQHNDVYOWPHBLU-ZACQAIPSSA-N 1 1 328.416 0.314 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@]2(C)C1 ZINC000982798228 753759056 /nfs/dbraw/zinc/75/90/56/753759056.db2.gz LNGMLBPOKYFVJW-HDICACEKSA-N 1 1 344.415 0.293 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001008465677 753768392 /nfs/dbraw/zinc/76/83/92/753768392.db2.gz AAWHXHSONBQFIR-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001008465677 753768397 /nfs/dbraw/zinc/76/83/97/753768397.db2.gz AAWHXHSONBQFIR-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ccnc(C#N)n2)C1 ZINC001105531986 753800814 /nfs/dbraw/zinc/80/08/14/753800814.db2.gz PCRIJQRJVFHNSN-AWEZNQCLSA-N 1 1 346.435 0.352 20 30 ECEDMO N#Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC001051509383 762245195 /nfs/dbraw/zinc/24/51/95/762245195.db2.gz LVJZYBYRSTYLMT-QGZVFWFLSA-N 1 1 339.399 0.841 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001008507629 753831987 /nfs/dbraw/zinc/83/19/87/753831987.db2.gz HHWTUCSYKOZTIE-IXDOHACOSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@]2(C)C1 ZINC000982817602 753845560 /nfs/dbraw/zinc/84/55/60/753845560.db2.gz RRWCFZQPVNNTKQ-BMFZPTHFSA-N 1 1 341.477 0.425 20 30 ECEDMO O=C(CC#Cc1ccccc1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105375933 753847587 /nfs/dbraw/zinc/84/75/87/753847587.db2.gz VZAFQMPYZOZRLN-UHFFFAOYSA-N 1 1 339.399 0.185 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)nn2)CC[N@H+]1C ZINC001105582394 753863100 /nfs/dbraw/zinc/86/31/00/753863100.db2.gz VELZGPRTCUBHEO-LSDHHAIUSA-N 1 1 330.436 0.973 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2nn(C)c3ccccc23)[C@@H](O)C1 ZINC001083463652 753884272 /nfs/dbraw/zinc/88/42/72/753884272.db2.gz TWDMJQOROJBFCM-WBVHZDCISA-N 1 1 326.400 0.300 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1cc(C)nc(CO)n1 ZINC001105599414 753971484 /nfs/dbraw/zinc/97/14/84/753971484.db2.gz YYRBCLXSXUGAMN-HNNXBMFYSA-N 1 1 345.447 0.270 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1cc(C)nc(CO)n1 ZINC001105599414 753971490 /nfs/dbraw/zinc/97/14/90/753971490.db2.gz YYRBCLXSXUGAMN-HNNXBMFYSA-N 1 1 345.447 0.270 20 30 ECEDMO C[C@@H](CCNC(=O)CSCC#N)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001075678288 754022111 /nfs/dbraw/zinc/02/21/11/754022111.db2.gz UIIDKKCWWGRNMA-OLZOCXBDSA-N 1 1 326.466 0.596 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nccc(C)n3)C[C@H]2C)nn1 ZINC000989535417 754078101 /nfs/dbraw/zinc/07/81/01/754078101.db2.gz AYSANOSBZCAYHG-ZIAGYGMSSA-N 1 1 341.419 0.955 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CO[C@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000982891915 754105368 /nfs/dbraw/zinc/10/53/68/754105368.db2.gz VLKUHMILMGZFGF-JSGCOSHPSA-N 1 1 333.392 0.717 20 30 ECEDMO C=CCC[N@@H+]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557814 754113915 /nfs/dbraw/zinc/11/39/15/754113915.db2.gz TVPJSPHRDAERNB-HNNXBMFYSA-N 1 1 329.466 0.569 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC000982923815 754207057 /nfs/dbraw/zinc/20/70/57/754207057.db2.gz RKROEXOTYLLZJJ-GJZGRUSLSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC000982923815 754207063 /nfs/dbraw/zinc/20/70/63/754207063.db2.gz RKROEXOTYLLZJJ-GJZGRUSLSA-N 1 1 343.431 0.394 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001028654475 754282390 /nfs/dbraw/zinc/28/23/90/754282390.db2.gz OJHRKHFOOBBBIG-XJKSGUPXSA-N 1 1 345.447 0.811 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001028654474 754282540 /nfs/dbraw/zinc/28/25/40/754282540.db2.gz OJHRKHFOOBBBIG-CZUORRHYSA-N 1 1 345.447 0.811 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3cc(C(N)=O)cn3C)CCC[C@@H]12 ZINC000991629944 762295283 /nfs/dbraw/zinc/29/52/83/762295283.db2.gz YFMMDHOSDWVNKN-CRAIPNDOSA-N 1 1 328.416 0.874 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000983008462 754413855 /nfs/dbraw/zinc/41/38/55/754413855.db2.gz GACZBZGIMINFMQ-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC000983031468 754473591 /nfs/dbraw/zinc/47/35/91/754473591.db2.gz CIPOZVGHOJHYSR-KBPBESRZSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC000983031468 754473594 /nfs/dbraw/zinc/47/35/94/754473594.db2.gz CIPOZVGHOJHYSR-KBPBESRZSA-N 1 1 330.388 0.351 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000983091549 754602591 /nfs/dbraw/zinc/60/25/91/754602591.db2.gz RMOXJEHGERLDJC-HNNXBMFYSA-N 1 1 331.420 0.486 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000983091549 754602594 /nfs/dbraw/zinc/60/25/94/754602594.db2.gz RMOXJEHGERLDJC-HNNXBMFYSA-N 1 1 331.420 0.486 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cocn3)C[C@H]21 ZINC001009193988 754637476 /nfs/dbraw/zinc/63/74/76/754637476.db2.gz VEYSOLVILINJJG-AYDFFVQHSA-N 1 1 342.399 0.206 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cocn3)C[C@H]21 ZINC001009193988 754637480 /nfs/dbraw/zinc/63/74/80/754637480.db2.gz VEYSOLVILINJJG-AYDFFVQHSA-N 1 1 342.399 0.206 20 30 ECEDMO N#CCSCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001111601146 754738533 /nfs/dbraw/zinc/73/85/33/754738533.db2.gz NAVDTDPIGVFYIU-ZFWWWQNUSA-N 1 1 334.449 0.506 20 30 ECEDMO Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)co1 ZINC001051554653 762329508 /nfs/dbraw/zinc/32/95/08/762329508.db2.gz IAJJYFDANMJOEQ-CQSZACIVSA-N 1 1 329.360 0.814 20 30 ECEDMO Cc1nc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)co1 ZINC001051554652 762329562 /nfs/dbraw/zinc/32/95/62/762329562.db2.gz IAJJYFDANMJOEQ-AWEZNQCLSA-N 1 1 329.360 0.814 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001028707819 754778607 /nfs/dbraw/zinc/77/86/07/754778607.db2.gz XVWPJSFVGDCMQZ-CQSZACIVSA-N 1 1 327.388 0.994 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001028709944 754785324 /nfs/dbraw/zinc/78/53/24/754785324.db2.gz QFOYXJOWIQEKMC-KSZLIROESA-N 1 1 349.475 0.328 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990165902 754795062 /nfs/dbraw/zinc/79/50/62/754795062.db2.gz ZBXTWWFVBDWNMQ-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009354603 754798352 /nfs/dbraw/zinc/79/83/52/754798352.db2.gz UKEVYRNMSZWJKG-DLBZAZTESA-N 1 1 325.412 0.680 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009354603 754798357 /nfs/dbraw/zinc/79/83/57/754798357.db2.gz UKEVYRNMSZWJKG-DLBZAZTESA-N 1 1 325.412 0.680 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001028713422 754803896 /nfs/dbraw/zinc/80/38/96/754803896.db2.gz KWQJGGRWGAUCFU-ZDUSSCGKSA-N 1 1 327.392 0.685 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3c[nH]nc3C)C2)C1=O ZINC001028725012 754861117 /nfs/dbraw/zinc/86/11/17/754861117.db2.gz AXORFUOOVIVRCT-HIFRSBDPSA-N 1 1 331.420 0.557 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)C1=O ZINC000990254792 754881164 /nfs/dbraw/zinc/88/11/64/754881164.db2.gz WVEBOPLEHUFJFZ-DAYGRLMNSA-N 1 1 341.415 0.844 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)NC1=O ZINC001028740186 754938199 /nfs/dbraw/zinc/93/81/99/754938199.db2.gz OPTLZXMWTQPMDZ-DLBZAZTESA-N 1 1 340.427 0.500 20 30 ECEDMO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1c[nH]c(=O)cn1 ZINC001028766275 755036603 /nfs/dbraw/zinc/03/66/03/755036603.db2.gz PHCZWSVCZGAOAV-INIZCTEOSA-N 1 1 336.395 0.873 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028772306 755057741 /nfs/dbraw/zinc/05/77/41/755057741.db2.gz BUZSORNZNRQOED-NXEZZACHSA-N 1 1 331.214 0.015 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)ccc1F ZINC001028772909 755056810 /nfs/dbraw/zinc/05/68/10/755056810.db2.gz HOPKWQIKKSKQFT-IUODEOHRSA-N 1 1 345.378 0.317 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028772306 755057736 /nfs/dbraw/zinc/05/77/36/755057736.db2.gz BUZSORNZNRQOED-NXEZZACHSA-N 1 1 331.214 0.015 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC001075700038 755064454 /nfs/dbraw/zinc/06/44/54/755064454.db2.gz AFXYWIZUPFQSCW-VBNZEHGJSA-N 1 1 341.415 0.653 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC001075700255 755068196 /nfs/dbraw/zinc/06/81/96/755068196.db2.gz IJYFZUIFSLBTGV-APHBMKBZSA-N 1 1 341.415 0.653 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)[nH]1 ZINC001075700356 755070303 /nfs/dbraw/zinc/07/03/03/755070303.db2.gz MGQGYQHSHUPBHY-XHDPSFHLSA-N 1 1 327.388 0.311 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)[nH]1 ZINC001075700356 755070309 /nfs/dbraw/zinc/07/03/09/755070309.db2.gz MGQGYQHSHUPBHY-XHDPSFHLSA-N 1 1 327.388 0.311 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)[nH]1 ZINC001075700446 755072861 /nfs/dbraw/zinc/07/28/61/755072861.db2.gz QINYRLSOSYBLMV-SWLSCSKDSA-N 1 1 342.403 0.058 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001028793307 755143058 /nfs/dbraw/zinc/14/30/58/755143058.db2.gz VEOYUPUVGUNEFK-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001028810318 755203012 /nfs/dbraw/zinc/20/30/12/755203012.db2.gz BFSRIPIZWXKBFA-LSDHHAIUSA-N 1 1 345.447 0.865 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001028852036 755309676 /nfs/dbraw/zinc/30/96/76/755309676.db2.gz DNTAGVMEXRFRGV-CQSZACIVSA-N 1 1 341.419 0.814 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)nn1 ZINC001028852228 755309797 /nfs/dbraw/zinc/30/97/97/755309797.db2.gz GMNYECFXOLJBMX-GJZGRUSLSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)nn1 ZINC001028857633 755322827 /nfs/dbraw/zinc/32/28/27/755322827.db2.gz ZFJIRKHMLNGEFR-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccn(C)n3)C2)nn1 ZINC001028857633 755322829 /nfs/dbraw/zinc/32/28/29/755322829.db2.gz ZFJIRKHMLNGEFR-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO COCCN(CCNC(=O)Cn1c[nH+]cc1C)c1ccc(C#N)nn1 ZINC001126441287 755327183 /nfs/dbraw/zinc/32/71/83/755327183.db2.gz YRLMFSKARVAMIR-UHFFFAOYSA-N 1 1 343.391 0.122 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001028863830 755336497 /nfs/dbraw/zinc/33/64/97/755336497.db2.gz DJSWWCZESPELCK-POZPTJLLSA-N 1 1 334.420 0.379 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001028872755 755354542 /nfs/dbraw/zinc/35/45/42/755354542.db2.gz JFODRYSSHVEQSE-GJZGRUSLSA-N 1 1 345.447 0.865 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3nccs3)C2)C1=O ZINC001028885621 755383602 /nfs/dbraw/zinc/38/36/02/755383602.db2.gz BBWSCSJBMIYPLP-STQMWFEESA-N 1 1 334.445 0.982 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000983358423 755389978 /nfs/dbraw/zinc/38/99/78/755389978.db2.gz NIDLGIVLOLKBNM-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000983358423 755389981 /nfs/dbraw/zinc/38/99/81/755389981.db2.gz NIDLGIVLOLKBNM-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001028918630 755477566 /nfs/dbraw/zinc/47/75/66/755477566.db2.gz JYYPVLNYDFMKKK-ZDUSSCGKSA-N 1 1 329.400 0.935 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH2+]Cc1nnnn1Cc1ccccc1 ZINC001126823550 755556676 /nfs/dbraw/zinc/55/66/76/755556676.db2.gz VOEXZEJKCHOIKO-UHFFFAOYSA-N 1 1 326.404 0.587 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1C ZINC001088763806 755598600 /nfs/dbraw/zinc/59/86/00/755598600.db2.gz AWANYOWOJFEEDZ-BDXSIMOUSA-N 1 1 349.475 0.469 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2COc3ccccc3O2)[C@@H](O)C1 ZINC001083494222 755696314 /nfs/dbraw/zinc/69/63/14/755696314.db2.gz PVUAXAVAUIHFJE-KFWWJZLASA-N 1 1 332.400 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)on2)CC1 ZINC001010198236 755795230 /nfs/dbraw/zinc/79/52/30/755795230.db2.gz HIOCKTLKMJCPBU-HNNXBMFYSA-N 1 1 330.388 0.365 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)on2)CC1 ZINC001010198236 755795234 /nfs/dbraw/zinc/79/52/34/755795234.db2.gz HIOCKTLKMJCPBU-HNNXBMFYSA-N 1 1 330.388 0.365 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(C#N)n1 ZINC001105675613 755833126 /nfs/dbraw/zinc/83/31/26/755833126.db2.gz MNQORXSYSUDNDD-ZIAGYGMSSA-N 1 1 330.436 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2ccco2)CC1 ZINC001010314626 755983482 /nfs/dbraw/zinc/98/34/82/755983482.db2.gz CDPZBOVBCZIVRD-KRWDZBQOSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2ccco2)CC1 ZINC001010314626 755983485 /nfs/dbraw/zinc/98/34/85/755983485.db2.gz CDPZBOVBCZIVRD-KRWDZBQOSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cc[nH]n1 ZINC001076015212 755991190 /nfs/dbraw/zinc/99/11/90/755991190.db2.gz CPIRGLARNZRJGV-ZFWWWQNUSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1cc[nH]n1 ZINC001076015212 755991193 /nfs/dbraw/zinc/99/11/93/755991193.db2.gz CPIRGLARNZRJGV-ZFWWWQNUSA-N 1 1 331.420 0.061 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2occc2C)CC1 ZINC001010352244 756035410 /nfs/dbraw/zinc/03/54/10/756035410.db2.gz HYDHUVONUZADLB-HNNXBMFYSA-N 1 1 329.400 0.970 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2occc2C)CC1 ZINC001010352244 756035414 /nfs/dbraw/zinc/03/54/14/756035414.db2.gz HYDHUVONUZADLB-HNNXBMFYSA-N 1 1 329.400 0.970 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCCS3(=O)=O)[C@@H]2C1 ZINC001076049527 756040111 /nfs/dbraw/zinc/04/01/11/756040111.db2.gz DIJAATMVDJNXNZ-LSDHHAIUSA-N 1 1 341.477 0.521 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnccc3C)C2)C1=O ZINC001010425701 756120489 /nfs/dbraw/zinc/12/04/89/756120489.db2.gz BKZMYIYXIDIZNH-HOCLYGCPSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnccc3C)C2)C1=O ZINC001010425701 756120494 /nfs/dbraw/zinc/12/04/94/756120494.db2.gz BKZMYIYXIDIZNH-HOCLYGCPSA-N 1 1 328.416 0.981 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)[C@@H]2C1 ZINC001076181498 756180066 /nfs/dbraw/zinc/18/00/66/756180066.db2.gz ZUADVQVKLSSRQO-SMDDNHRTSA-N 1 1 325.372 0.833 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cc1F ZINC001010497959 756185097 /nfs/dbraw/zinc/18/50/97/756185097.db2.gz QGHRCVTWLCRLRT-ZFWWWQNUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cc1F ZINC001010497959 756185101 /nfs/dbraw/zinc/18/51/01/756185101.db2.gz QGHRCVTWLCRLRT-ZFWWWQNUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)ccc1F ZINC001010501041 756188877 /nfs/dbraw/zinc/18/88/77/756188877.db2.gz ZSHCRDYYWURJSM-UKRRQHHQSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)ccc1F ZINC001010501041 756188878 /nfs/dbraw/zinc/18/88/78/756188878.db2.gz ZSHCRDYYWURJSM-UKRRQHHQSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)[C@H](C)OC)C2)C1 ZINC001010577093 756265176 /nfs/dbraw/zinc/26/51/76/756265176.db2.gz PCNUFBBFVDHHLK-HOTGVXAUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)[C@H](C)OC)C2)C1 ZINC001010577093 756265180 /nfs/dbraw/zinc/26/51/80/756265180.db2.gz PCNUFBBFVDHHLK-HOTGVXAUSA-N 1 1 347.459 0.570 20 30 ECEDMO CCCCn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051609329 762458100 /nfs/dbraw/zinc/45/81/00/762458100.db2.gz RNQIWTNDRIDLDX-HNNXBMFYSA-N 1 1 346.435 0.204 20 30 ECEDMO Cn1nc(C2CC2)nc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051609422 762458245 /nfs/dbraw/zinc/45/82/45/762458245.db2.gz SHHXLYVLSDKKPQ-HNNXBMFYSA-N 1 1 343.431 0.423 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC001076315876 756344063 /nfs/dbraw/zinc/34/40/63/756344063.db2.gz UNMPIMVIHWAEMN-LSDHHAIUSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC001076315876 756344071 /nfs/dbraw/zinc/34/40/71/756344071.db2.gz UNMPIMVIHWAEMN-LSDHHAIUSA-N 1 1 326.462 0.920 20 30 ECEDMO CC(C)N1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010659308 756361345 /nfs/dbraw/zinc/36/13/45/756361345.db2.gz VLYITBSZIRIZQZ-ZFWWWQNUSA-N 1 1 329.404 0.700 20 30 ECEDMO CC(C)N1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010659308 756361349 /nfs/dbraw/zinc/36/13/49/756361349.db2.gz VLYITBSZIRIZQZ-ZFWWWQNUSA-N 1 1 329.404 0.700 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001010690359 756402781 /nfs/dbraw/zinc/40/27/81/756402781.db2.gz JWRDUAUBQWCEJV-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000990867016 756420849 /nfs/dbraw/zinc/42/08/49/756420849.db2.gz BUZOHICJKHAVHN-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnnn1CC ZINC001076386009 756451399 /nfs/dbraw/zinc/45/13/99/756451399.db2.gz YJCCBFCIFARMJU-KBPBESRZSA-N 1 1 346.435 0.020 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnnn1CC ZINC001076386009 756451404 /nfs/dbraw/zinc/45/14/04/756451404.db2.gz YJCCBFCIFARMJU-KBPBESRZSA-N 1 1 346.435 0.020 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001076395022 756466159 /nfs/dbraw/zinc/46/61/59/756466159.db2.gz DTHFCAXDLGTZHL-GXTWGEPZSA-N 1 1 332.404 0.848 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(C)nc2C)CC1 ZINC001010740270 756468065 /nfs/dbraw/zinc/46/80/65/756468065.db2.gz BUVWQHYNADRGBL-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(C)nc2C)CC1 ZINC001010740270 756468070 /nfs/dbraw/zinc/46/80/70/756468070.db2.gz BUVWQHYNADRGBL-INIZCTEOSA-N 1 1 343.431 0.111 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001010812012 756554828 /nfs/dbraw/zinc/55/48/28/756554828.db2.gz AVODKNXDSYYBTM-UONOGXRCSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001010812012 756554832 /nfs/dbraw/zinc/55/48/32/756554832.db2.gz AVODKNXDSYYBTM-UONOGXRCSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)[C@@H]2C1 ZINC001076474882 756561293 /nfs/dbraw/zinc/56/12/93/756561293.db2.gz PPYBDWGBYFOZIB-SWLSCSKDSA-N 1 1 325.368 0.903 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)nc1 ZINC001076475905 756562479 /nfs/dbraw/zinc/56/24/79/756562479.db2.gz LNQKAMTXFYWIOA-DOTOQJQBSA-N 1 1 338.411 0.442 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)nc1 ZINC001076475905 756562481 /nfs/dbraw/zinc/56/24/81/756562481.db2.gz LNQKAMTXFYWIOA-DOTOQJQBSA-N 1 1 338.411 0.442 20 30 ECEDMO C#CCOCCC(=O)NCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001076507837 756578798 /nfs/dbraw/zinc/57/87/98/756578798.db2.gz XUFNZRGVTHFUIE-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1c1nccnc1C#N ZINC001060124304 756624271 /nfs/dbraw/zinc/62/42/71/756624271.db2.gz XYPUSHWEWXZMOY-ZFWWWQNUSA-N 1 1 328.420 0.918 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)[nH]1 ZINC000990889097 756664529 /nfs/dbraw/zinc/66/45/29/756664529.db2.gz YRVLTBIIOMWUST-DOMZBBRYSA-N 1 1 341.415 0.701 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010925187 756674390 /nfs/dbraw/zinc/67/43/90/756674390.db2.gz KAQQRLSWLPGYNZ-UHFFFAOYSA-N 1 1 326.360 0.376 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)nc1 ZINC001076587192 756691183 /nfs/dbraw/zinc/69/11/83/756691183.db2.gz XOAWJQJZHMDRGI-ZFWWWQNUSA-N 1 1 328.416 0.639 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)[C@@H]2C1 ZINC001076607438 756726505 /nfs/dbraw/zinc/72/65/05/756726505.db2.gz DXJFJCHPFOSTII-DZGCQCFKSA-N 1 1 346.435 0.089 20 30 ECEDMO CCCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1cnc(C#N)cn1 ZINC001101115427 756769707 /nfs/dbraw/zinc/76/97/07/756769707.db2.gz FDUYDEQBZPQICQ-AWEZNQCLSA-N 1 1 332.408 0.011 20 30 ECEDMO CCCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1cnc(C#N)cn1 ZINC001101115427 756769711 /nfs/dbraw/zinc/76/97/11/756769711.db2.gz FDUYDEQBZPQICQ-AWEZNQCLSA-N 1 1 332.408 0.011 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@H+]1C ZINC001011026839 756788122 /nfs/dbraw/zinc/78/81/22/756788122.db2.gz LDYPBGZVYIIGFH-JKSUJKDBSA-N 1 1 343.431 0.901 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2cncc(C#N)n2)C1 ZINC001060129728 756823973 /nfs/dbraw/zinc/82/39/73/756823973.db2.gz VRRIEBOFVZGNGI-LSDHHAIUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2cncc(C#N)n2)C1 ZINC001060129728 756823979 /nfs/dbraw/zinc/82/39/79/756823979.db2.gz VRRIEBOFVZGNGI-LSDHHAIUSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001011078045 756889607 /nfs/dbraw/zinc/88/96/07/756889607.db2.gz UQAJHKVNRYVTFE-IHRRRGAJSA-N 1 1 339.386 0.656 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001011078045 756889614 /nfs/dbraw/zinc/88/96/14/756889614.db2.gz UQAJHKVNRYVTFE-IHRRRGAJSA-N 1 1 339.386 0.656 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)cc1 ZINC001076711901 756901979 /nfs/dbraw/zinc/90/19/79/756901979.db2.gz RIJUDRMRYOWEGZ-IAGOWNOFSA-N 1 1 338.367 0.167 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)cc1 ZINC001076711901 756901982 /nfs/dbraw/zinc/90/19/82/756901982.db2.gz RIJUDRMRYOWEGZ-IAGOWNOFSA-N 1 1 338.367 0.167 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000990936163 756916098 /nfs/dbraw/zinc/91/60/98/756916098.db2.gz STBGUZXQDHFWJX-ZDUSSCGKSA-N 1 1 343.431 0.805 20 30 ECEDMO Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111600539 762513337 /nfs/dbraw/zinc/51/33/37/762513337.db2.gz XNFFWKDSURZTMV-WFASDCNBSA-N 1 1 334.449 0.543 20 30 ECEDMO Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111600539 762513341 /nfs/dbraw/zinc/51/33/41/762513341.db2.gz XNFFWKDSURZTMV-WFASDCNBSA-N 1 1 334.449 0.543 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)nn1 ZINC001011155304 757049409 /nfs/dbraw/zinc/04/94/09/757049409.db2.gz KHPDJHQNUUGCDS-UHFFFAOYSA-N 1 1 346.435 0.233 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076769077 757060313 /nfs/dbraw/zinc/06/03/13/757060313.db2.gz QJQFSVQROZKNFK-SWLSCSKDSA-N 1 1 347.419 0.232 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076769077 757060315 /nfs/dbraw/zinc/06/03/15/757060315.db2.gz QJQFSVQROZKNFK-SWLSCSKDSA-N 1 1 347.419 0.232 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C=C(\C)CC)C1 ZINC001048811542 757072289 /nfs/dbraw/zinc/07/22/89/757072289.db2.gz YQVGRTIEGMPBCJ-MOPBIZTBSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C=C(\C)CC)C1 ZINC001048811542 757072299 /nfs/dbraw/zinc/07/22/99/757072299.db2.gz YQVGRTIEGMPBCJ-MOPBIZTBSA-N 1 1 347.459 0.470 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001011164218 757088501 /nfs/dbraw/zinc/08/85/01/757088501.db2.gz NIUJRLDJPALBSJ-RDJZCZTQSA-N 1 1 346.431 0.844 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001011164786 757092141 /nfs/dbraw/zinc/09/21/41/757092141.db2.gz ZMXYMJLOCAJDSJ-CABCVRRESA-N 1 1 332.404 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccn2CC)CC1 ZINC001011166671 757096105 /nfs/dbraw/zinc/09/61/05/757096105.db2.gz KOFSIZUUEAJBHV-KRWDZBQOSA-N 1 1 342.443 0.890 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccn2CC)CC1 ZINC001011166671 757096117 /nfs/dbraw/zinc/09/61/17/757096117.db2.gz KOFSIZUUEAJBHV-KRWDZBQOSA-N 1 1 342.443 0.890 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3ccc(=O)n(C)c3=O)CCC[C@H]12 ZINC000990970545 757099818 /nfs/dbraw/zinc/09/98/18/757099818.db2.gz AGEHHSYUUDORNQ-KSSFIOAISA-N 1 1 346.431 0.236 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]2C1 ZINC001048826900 757123175 /nfs/dbraw/zinc/12/31/75/757123175.db2.gz NKDXHKFMRRUZGD-JKJDWNRSSA-N 1 1 335.448 0.622 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001048832620 757136897 /nfs/dbraw/zinc/13/68/97/757136897.db2.gz PZFCVITWBOKGPU-GJZGRUSLSA-N 1 1 337.464 0.408 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001048832743 757137313 /nfs/dbraw/zinc/13/73/13/757137313.db2.gz VNPGYAQKHFKDIC-GJZGRUSLSA-N 1 1 337.464 0.406 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001048844188 757157907 /nfs/dbraw/zinc/15/79/07/757157907.db2.gz FNTBECDMFNDEGD-ULQDDVLXSA-N 1 1 349.475 0.693 20 30 ECEDMO Cn1cc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)cn1 ZINC001076790720 757159308 /nfs/dbraw/zinc/15/93/08/757159308.db2.gz NNJOGCMFFWXQKL-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)cn1 ZINC001076790720 757159310 /nfs/dbraw/zinc/15/93/10/757159310.db2.gz NNJOGCMFFWXQKL-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]2C1 ZINC001048864065 757218416 /nfs/dbraw/zinc/21/84/16/757218416.db2.gz BNUPIJRKVQTWMV-SOUVJXGZSA-N 1 1 330.432 0.812 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@@H]2C1 ZINC001048870018 757238497 /nfs/dbraw/zinc/23/84/97/757238497.db2.gz KZEQVVJGWAGIDO-KSZLIROESA-N 1 1 342.443 0.971 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001048874247 757251992 /nfs/dbraw/zinc/25/19/92/757251992.db2.gz UQHACDWNKITKMY-KKUMJFAQSA-N 1 1 337.464 0.571 20 30 ECEDMO CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001048875024 757255914 /nfs/dbraw/zinc/25/59/14/757255914.db2.gz FSGHOKYOPQDJTR-IYBDPMFKSA-N 1 1 340.427 0.960 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001048876756 757261824 /nfs/dbraw/zinc/26/18/24/757261824.db2.gz OSCRLJIRXVHDPY-KBMXLJTQSA-N 1 1 348.447 0.824 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)CN3CCOCC3)C[C@H]2C1 ZINC001048891021 757311804 /nfs/dbraw/zinc/31/18/04/757311804.db2.gz PXUZIZJJYCODFU-CALCHBBNSA-N 1 1 333.476 0.758 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)CN3CCOCC3)C[C@H]2C1 ZINC001048891021 757311818 /nfs/dbraw/zinc/31/18/18/757311818.db2.gz PXUZIZJJYCODFU-CALCHBBNSA-N 1 1 333.476 0.758 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001068464701 790324422 /nfs/dbraw/zinc/32/44/22/790324422.db2.gz XNVWEOLAQIZPDW-FVQBIDKESA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001068464701 790324434 /nfs/dbraw/zinc/32/44/34/790324434.db2.gz XNVWEOLAQIZPDW-FVQBIDKESA-N 1 1 343.431 0.899 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C[C@H]2C1 ZINC001048925392 757429798 /nfs/dbraw/zinc/42/97/98/757429798.db2.gz SBCJSHBBJUEDRR-MCIONIFRSA-N 1 1 340.855 0.920 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 ZINC001048940620 757472746 /nfs/dbraw/zinc/47/27/46/757472746.db2.gz UJKWRWKLCZYIPG-QXSJWSMHSA-N 1 1 335.448 0.766 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cnoc3-c3cnn(C)c3)C[C@H]2C1 ZINC001048957298 757511741 /nfs/dbraw/zinc/51/17/41/757511741.db2.gz IFAKFHHNLCIURG-OKILXGFUSA-N 1 1 325.372 0.712 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@H]2O)[nH]1 ZINC001076898486 757516964 /nfs/dbraw/zinc/51/69/64/757516964.db2.gz LOORWAYBYAYHOI-BRWVUGGUSA-N 1 1 340.383 0.395 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2O)[nH]1 ZINC001076898486 757516970 /nfs/dbraw/zinc/51/69/70/757516970.db2.gz LOORWAYBYAYHOI-BRWVUGGUSA-N 1 1 340.383 0.395 20 30 ECEDMO Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001076898568 757517698 /nfs/dbraw/zinc/51/76/98/757517698.db2.gz PMHIRZRSOHQMBY-HZPDHXFCSA-N 1 1 342.403 0.175 20 30 ECEDMO Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001076898568 757517706 /nfs/dbraw/zinc/51/77/06/757517706.db2.gz PMHIRZRSOHQMBY-HZPDHXFCSA-N 1 1 342.403 0.175 20 30 ECEDMO CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)C1CCCC1 ZINC001076898683 757517939 /nfs/dbraw/zinc/51/79/39/757517939.db2.gz VNCHMJWRULYXNZ-ZACQAIPSSA-N 1 1 346.431 0.866 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)Cn3nc4ccccn4c3=O)C[C@H]2C1 ZINC001048969546 757548425 /nfs/dbraw/zinc/54/84/25/757548425.db2.gz XRYLUXALQNJBNG-GASCZTMLSA-N 1 1 341.415 0.462 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001048977010 757579268 /nfs/dbraw/zinc/57/92/68/757579268.db2.gz KVMIBGPZALTTKV-MPGHIAIKSA-N 1 1 339.480 0.959 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@@H]2C1 ZINC001048979317 757590695 /nfs/dbraw/zinc/59/06/95/757590695.db2.gz SAUKUWZEHPUQQL-GASCZTMLSA-N 1 1 349.475 0.884 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC001021564853 757604870 /nfs/dbraw/zinc/60/48/70/757604870.db2.gz BLSQPOPZYIRAKT-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO CCn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076925040 757614718 /nfs/dbraw/zinc/61/47/18/757614718.db2.gz QOTVVVSXRKEHQE-NVXWUHKLSA-N 1 1 339.399 0.750 20 30 ECEDMO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076925040 757614725 /nfs/dbraw/zinc/61/47/25/757614725.db2.gz QOTVVVSXRKEHQE-NVXWUHKLSA-N 1 1 339.399 0.750 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)nn1 ZINC001098676562 762565622 /nfs/dbraw/zinc/56/56/22/762565622.db2.gz PHTYDKWBOIKIFM-LSDHHAIUSA-N 1 1 335.408 0.133 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001021613109 757684934 /nfs/dbraw/zinc/68/49/34/757684934.db2.gz IRHSRDUBHJFKLV-DOTOQJQBSA-N 1 1 340.427 0.669 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001021612273 757685939 /nfs/dbraw/zinc/68/59/39/757685939.db2.gz XPSIJOJKSQVUBT-GJZGRUSLSA-N 1 1 328.416 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CCCC=C)C[C@@H]1O ZINC001049019693 757712586 /nfs/dbraw/zinc/71/25/86/757712586.db2.gz QJAIXNIZBHJKLC-ULQDDVLXSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CCCC=C)C[C@@H]1O ZINC001049019693 757712591 /nfs/dbraw/zinc/71/25/91/757712591.db2.gz QJAIXNIZBHJKLC-ULQDDVLXSA-N 1 1 347.459 0.470 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)s1 ZINC001049020185 757715700 /nfs/dbraw/zinc/71/57/00/757715700.db2.gz ZOLDGSWVLIACNW-WDMOLILDSA-N 1 1 345.428 0.191 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001076954520 757723746 /nfs/dbraw/zinc/72/37/46/757723746.db2.gz RWMPPIRNKYDOMK-LSDHHAIUSA-N 1 1 346.431 0.811 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccoc2CC(N)=O)C1 ZINC001021657786 757746434 /nfs/dbraw/zinc/74/64/34/757746434.db2.gz IITGSNNENLFCEQ-HIFRSBDPSA-N 1 1 329.400 0.867 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001049048029 757776631 /nfs/dbraw/zinc/77/66/31/757776631.db2.gz GBAYMAFGHZXCOE-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2nnnc2C(C)C)C1 ZINC001021686972 757780901 /nfs/dbraw/zinc/78/09/01/757780901.db2.gz CUWZTJVZFVCLJY-HUUCEWRRSA-N 1 1 330.436 0.743 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021690957 757788986 /nfs/dbraw/zinc/78/89/86/757788986.db2.gz MCLREPWEJQPURI-DZGCQCFKSA-N 1 1 333.432 0.928 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)Cn3nnc4c3CCCC4)C[C@H]2C1 ZINC001049063741 757850593 /nfs/dbraw/zinc/85/05/93/757850593.db2.gz GQOULECATNAHTI-GASCZTMLSA-N 1 1 327.432 0.570 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021714070 757851640 /nfs/dbraw/zinc/85/16/40/757851640.db2.gz UYMLKJSKRTWANF-LSDHHAIUSA-N 1 1 348.447 0.817 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 ZINC001107221384 757858879 /nfs/dbraw/zinc/85/88/79/757858879.db2.gz WTFWQPBMOFMIBZ-UHFFFAOYSA-N 1 1 347.467 0.787 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021730344 757873633 /nfs/dbraw/zinc/87/36/33/757873633.db2.gz MOFXFCGCXIXFGK-GJZGRUSLSA-N 1 1 346.431 0.217 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001021730368 757874514 /nfs/dbraw/zinc/87/45/14/757874514.db2.gz MXZMLQQGTUBYSH-HOTGVXAUSA-N 1 1 332.448 0.723 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)n2C)C1 ZINC001021739066 757886951 /nfs/dbraw/zinc/88/69/51/757886951.db2.gz GHWFHVKPARMBNB-GJZGRUSLSA-N 1 1 330.432 0.674 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)n2C)C1 ZINC001021740594 757889505 /nfs/dbraw/zinc/88/95/05/757889505.db2.gz UWTGSMGEKLEOLJ-HUUCEWRRSA-N 1 1 330.432 0.674 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001021755540 757904475 /nfs/dbraw/zinc/90/44/75/757904475.db2.gz XLQALTITEMPEQZ-ZBFHGGJFSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001049085016 757918058 /nfs/dbraw/zinc/91/80/58/757918058.db2.gz OBPZOSUFSAHDLL-GJZGRUSLSA-N 1 1 332.404 0.025 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3cn(C)nn3)C(C)(C)C2)cn1 ZINC000996537315 757958791 /nfs/dbraw/zinc/95/87/91/757958791.db2.gz XOUMGRISMWWSAS-MRXNPFEDSA-N 1 1 338.415 0.832 20 30 ECEDMO C#CCOc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)cc1 ZINC001049102312 757964270 /nfs/dbraw/zinc/96/42/70/757964270.db2.gz PHSFHGWJSJPNBO-GASCZTMLSA-N 1 1 327.384 0.188 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@@H]3C2)nn1 ZINC001049103772 757966484 /nfs/dbraw/zinc/96/64/84/757966484.db2.gz UZPARHWDYMBBGO-OAGGEKHMSA-N 1 1 345.447 0.895 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@H]2C1 ZINC001049112348 757991968 /nfs/dbraw/zinc/99/19/68/757991968.db2.gz LUFSWEKXAJKRQZ-GASCZTMLSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(NC(C)=O)c2)C1 ZINC001077045176 758046936 /nfs/dbraw/zinc/04/69/36/758046936.db2.gz ZTQOTJKXEUYJBQ-IAGOWNOFSA-N 1 1 329.400 0.752 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(NC(C)=O)c2)C1 ZINC001077045176 758046949 /nfs/dbraw/zinc/04/69/49/758046949.db2.gz ZTQOTJKXEUYJBQ-IAGOWNOFSA-N 1 1 329.400 0.752 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001077046185 758048494 /nfs/dbraw/zinc/04/84/94/758048494.db2.gz GFHPUBSRWBDQIE-BRWVUGGUSA-N 1 1 349.475 0.763 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3CCOCC3)CCC[C@@H]12 ZINC001107251508 758075662 /nfs/dbraw/zinc/07/56/62/758075662.db2.gz FOIJKIAZYNAKDS-CRAIPNDOSA-N 1 1 348.447 0.414 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001077067060 758081419 /nfs/dbraw/zinc/08/14/19/758081419.db2.gz KVNCAGHXCBTWOL-RBSFLKMASA-N 1 1 332.400 0.954 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C)OCC=C ZINC001077069563 758113865 /nfs/dbraw/zinc/11/38/65/758113865.db2.gz SDMNCLFZQCZCHF-JYJNAYRXSA-N 1 1 335.448 0.686 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C)OCC=C ZINC001077069563 758113871 /nfs/dbraw/zinc/11/38/71/758113871.db2.gz SDMNCLFZQCZCHF-JYJNAYRXSA-N 1 1 335.448 0.686 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001021981123 758125816 /nfs/dbraw/zinc/12/58/16/758125816.db2.gz MYHVXOIIIRJVPR-TXEJJXNPSA-N 1 1 342.407 0.678 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001021989990 758137804 /nfs/dbraw/zinc/13/78/04/758137804.db2.gz HMVVYWPXINTJNE-TXEJJXNPSA-N 1 1 328.380 0.333 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC001011626827 758163483 /nfs/dbraw/zinc/16/34/83/758163483.db2.gz SZBABEJJYPYKNK-FZMZJTMJSA-N 1 1 340.387 0.811 20 30 ECEDMO CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12 ZINC001107289643 758177806 /nfs/dbraw/zinc/17/78/06/758177806.db2.gz IZBHUHANWJHSOV-CZUORRHYSA-N 1 1 338.477 0.740 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001077110423 758195419 /nfs/dbraw/zinc/19/54/19/758195419.db2.gz QWICTIWLMYFGRG-FGTMMUONSA-N 1 1 327.428 0.840 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001077110423 758195420 /nfs/dbraw/zinc/19/54/20/758195420.db2.gz QWICTIWLMYFGRG-FGTMMUONSA-N 1 1 327.428 0.840 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)OCC)CCC[C@@H]12 ZINC001107297720 758197084 /nfs/dbraw/zinc/19/70/84/758197084.db2.gz ALYJQLFUJDILIP-IIDMSEBBSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CN3CCCC3)CC2(C)C)C1=O ZINC000996608123 758206043 /nfs/dbraw/zinc/20/60/43/758206043.db2.gz BOTCPJRMTBTSLE-HZPDHXFCSA-N 1 1 348.491 0.696 20 30 ECEDMO N#CCSCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107291195 758208349 /nfs/dbraw/zinc/20/83/49/758208349.db2.gz ODDZFNLDICGKBU-GDBMZVCRSA-N 1 1 341.477 0.613 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049177564 758232228 /nfs/dbraw/zinc/23/22/28/758232228.db2.gz FNJMVCWVLKFCKU-GASCZTMLSA-N 1 1 329.400 0.480 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)CS(C)(=O)=O)CCC[C@@H]12 ZINC001107310998 758239306 /nfs/dbraw/zinc/23/93/06/758239306.db2.gz WMHYTSBSEJUPRO-GDBMZVCRSA-N 1 1 344.477 0.594 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C)on1 ZINC001077124261 758283574 /nfs/dbraw/zinc/28/35/74/758283574.db2.gz PPKRNIIYIOXIKR-WFASDCNBSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C)on1 ZINC001077124261 758283580 /nfs/dbraw/zinc/28/35/80/758283580.db2.gz PPKRNIIYIOXIKR-WFASDCNBSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C)ncn1 ZINC001077124568 758285365 /nfs/dbraw/zinc/28/53/65/758285365.db2.gz YNEWHZWPYKVLIZ-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(C)ncn1 ZINC001077124568 758285376 /nfs/dbraw/zinc/28/53/76/758285376.db2.gz YNEWHZWPYKVLIZ-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c(C)n[nH]c1C ZINC001077124687 758286262 /nfs/dbraw/zinc/28/62/62/758286262.db2.gz CJIQOSCMKMEENA-WFASDCNBSA-N 1 1 345.447 0.749 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c(C)n[nH]c1C ZINC001077124687 758286271 /nfs/dbraw/zinc/28/62/71/758286271.db2.gz CJIQOSCMKMEENA-WFASDCNBSA-N 1 1 345.447 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(F)c[nH]1 ZINC001077124685 758286636 /nfs/dbraw/zinc/28/66/36/758286636.db2.gz CIOOCOFAQVHASY-WFASDCNBSA-N 1 1 334.395 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(F)c[nH]1 ZINC001077124685 758286646 /nfs/dbraw/zinc/28/66/46/758286646.db2.gz CIOOCOFAQVHASY-WFASDCNBSA-N 1 1 334.395 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccnnc1C ZINC001077125323 758290123 /nfs/dbraw/zinc/29/01/23/758290123.db2.gz RQWXQENRDDKMHM-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccnnc1C ZINC001077125323 758290133 /nfs/dbraw/zinc/29/01/33/758290133.db2.gz RQWXQENRDDKMHM-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@]1(C)CCOC1 ZINC001077125617 758291856 /nfs/dbraw/zinc/29/18/56/758291856.db2.gz ZHNSGSRFRXYRTI-MPGHIAIKSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@]1(C)CCOC1 ZINC001077125617 758291864 /nfs/dbraw/zinc/29/18/64/758291864.db2.gz ZHNSGSRFRXYRTI-MPGHIAIKSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1nccc1C ZINC001077125540 758292501 /nfs/dbraw/zinc/29/25/01/758292501.db2.gz WMQZVVOTZQEAEU-HOCLYGCPSA-N 1 1 345.447 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1nccc1C ZINC001077125540 758292511 /nfs/dbraw/zinc/29/25/11/758292511.db2.gz WMQZVVOTZQEAEU-HOCLYGCPSA-N 1 1 345.447 0.300 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC001049205564 758300063 /nfs/dbraw/zinc/30/00/63/758300063.db2.gz RTZPQCKCNRIFNP-TXEJJXNPSA-N 1 1 340.811 0.023 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN(CC)CCO3)C[C@H]2C1 ZINC001049222469 758368761 /nfs/dbraw/zinc/36/87/61/758368761.db2.gz IVDYRNUSTALRGA-QLFBSQMISA-N 1 1 327.856 0.850 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cn(C)cn3)CCC[C@@H]12 ZINC001107356473 758381851 /nfs/dbraw/zinc/38/18/51/758381851.db2.gz FAEVSIVDPCKSFL-CRAIPNDOSA-N 1 1 343.431 0.144 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)COc3cccc(C(N)=O)c3)C[C@H]2C1 ZINC001049230702 758388952 /nfs/dbraw/zinc/38/89/52/758388952.db2.gz CMPWIPMXFNHRJP-IYBDPMFKSA-N 1 1 341.411 0.578 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnon1)CC2 ZINC001107374094 758400050 /nfs/dbraw/zinc/40/00/50/758400050.db2.gz JUPAXTZWHVHPME-RHSMWYFYSA-N 1 1 345.403 0.070 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnon1)CC2 ZINC001107374094 758400053 /nfs/dbraw/zinc/40/00/53/758400053.db2.gz JUPAXTZWHVHPME-RHSMWYFYSA-N 1 1 345.403 0.070 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cscn2)C1=O ZINC001032313751 758405956 /nfs/dbraw/zinc/40/59/56/758405956.db2.gz AQYSGSCBYMDLPI-SGMGOOAPSA-N 1 1 332.429 0.829 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cscn2)C1=O ZINC001032313751 758405959 /nfs/dbraw/zinc/40/59/59/758405959.db2.gz AQYSGSCBYMDLPI-SGMGOOAPSA-N 1 1 332.429 0.829 20 30 ECEDMO CCn1ncc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC#CCOC)CC3)n1 ZINC001107389870 758416409 /nfs/dbraw/zinc/41/64/09/758416409.db2.gz RIXDISZIJLKWNZ-SJLPKXTDSA-N 1 1 345.447 0.922 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ncc[nH]3)CCC[C@@H]12 ZINC001107389526 758416519 /nfs/dbraw/zinc/41/65/19/758416519.db2.gz AEEXXHFMYJMJGA-MLGOLLRUSA-N 1 1 330.392 0.024 20 30 ECEDMO COCC#CC[N@@H+]1C[C@H](NC(=O)c2ccn[nH]2)CC2(CCOCC2)C1 ZINC001099564710 758418743 /nfs/dbraw/zinc/41/87/43/758418743.db2.gz ZSUBAIHTKBDOLF-OAHLLOKOSA-N 1 1 346.431 0.660 20 30 ECEDMO COCC#CC[N@H+]1C[C@H](NC(=O)c2ccn[nH]2)CC2(CCOCC2)C1 ZINC001099564710 758418749 /nfs/dbraw/zinc/41/87/49/758418749.db2.gz ZSUBAIHTKBDOLF-OAHLLOKOSA-N 1 1 346.431 0.660 20 30 ECEDMO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)CC2(CCOCC2)C1 ZINC001099564709 758418905 /nfs/dbraw/zinc/41/89/05/758418905.db2.gz ZSUBAIHTKBDOLF-HNNXBMFYSA-N 1 1 346.431 0.660 20 30 ECEDMO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)CC2(CCOCC2)C1 ZINC001099564709 758418911 /nfs/dbraw/zinc/41/89/11/758418911.db2.gz ZSUBAIHTKBDOLF-HNNXBMFYSA-N 1 1 346.431 0.660 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(c3cnc(C#N)cn3)C[C@H]2C1 ZINC001049244956 758421453 /nfs/dbraw/zinc/42/14/53/758421453.db2.gz SADXHYOOENWSDU-IJEWVQPXSA-N 1 1 340.431 0.727 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2noc(C3CC3)n2)C1 ZINC001022221746 758442645 /nfs/dbraw/zinc/44/26/45/758442645.db2.gz NJZMLDCCHYFGKE-ZNMIVQPWSA-N 1 1 343.431 0.781 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2noc(C3CC3)n2)C1 ZINC001022221746 758442652 /nfs/dbraw/zinc/44/26/52/758442652.db2.gz NJZMLDCCHYFGKE-ZNMIVQPWSA-N 1 1 343.431 0.781 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1C)CC2 ZINC001107402746 758472410 /nfs/dbraw/zinc/47/24/10/758472410.db2.gz RDRSBYNLWICXHZ-IIDMSEBBSA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1C)CC2 ZINC001107402746 758472417 /nfs/dbraw/zinc/47/24/17/758472417.db2.gz RDRSBYNLWICXHZ-IIDMSEBBSA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@]34C[C@H]3COC4)CCC[C@@H]12 ZINC001107413356 758525503 /nfs/dbraw/zinc/52/55/03/758525503.db2.gz BYGQSHLQSJCUMA-SFUIVIKGSA-N 1 1 345.443 0.133 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccn[nH]2)C1=O ZINC001049342991 758540814 /nfs/dbraw/zinc/54/08/14/758540814.db2.gz WUJWURYVXSZQIG-JYJNAYRXSA-N 1 1 343.431 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2cc[nH]n2)C1=O ZINC001049342991 758540820 /nfs/dbraw/zinc/54/08/20/758540820.db2.gz WUJWURYVXSZQIG-JYJNAYRXSA-N 1 1 343.431 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2cc[nH]n2)C1=O ZINC001049342991 758540822 /nfs/dbraw/zinc/54/08/22/758540822.db2.gz WUJWURYVXSZQIG-JYJNAYRXSA-N 1 1 343.431 0.876 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O ZINC001077238069 758572055 /nfs/dbraw/zinc/57/20/55/758572055.db2.gz ZWHDGUDMQOPCCV-KZNAEPCWSA-N 1 1 342.443 0.704 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCN1C(=O)CNC1=O ZINC001049374080 758585545 /nfs/dbraw/zinc/58/55/45/758585545.db2.gz XQICMCOACNXJPI-RDBSUJKOSA-N 1 1 347.419 0.153 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccn3c2=O)C1 ZINC001077242130 758588835 /nfs/dbraw/zinc/58/88/35/758588835.db2.gz GEPLDRWXWSQTKY-ZIAGYGMSSA-N 1 1 328.372 0.046 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C#N)c[nH]1 ZINC001049401974 758636087 /nfs/dbraw/zinc/63/60/87/758636087.db2.gz PCELQGAQPQXEBX-HZPDHXFCSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C#N)c[nH]1 ZINC001049401974 758636089 /nfs/dbraw/zinc/63/60/89/758636089.db2.gz PCELQGAQPQXEBX-HZPDHXFCSA-N 1 1 339.403 0.894 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001077601851 758701003 /nfs/dbraw/zinc/70/10/03/758701003.db2.gz VJMGPBOLFZSZDM-IAGOWNOFSA-N 1 1 327.384 0.975 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)CC(C)(C)O)C1=O ZINC001049445674 758717173 /nfs/dbraw/zinc/71/71/73/758717173.db2.gz FVFFCVVSGONGPJ-PMPSAXMXSA-N 1 1 349.475 1.000 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 ZINC001077298687 758730397 /nfs/dbraw/zinc/73/03/97/758730397.db2.gz DCFULHDQFSDRKT-ZYHUDNBSSA-N 1 1 334.405 0.075 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(CCOC)nn1 ZINC001049465827 758761411 /nfs/dbraw/zinc/76/14/11/758761411.db2.gz WBWGMWJOHHMNMT-HZPDHXFCSA-N 1 1 331.420 0.627 20 30 ECEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC001107499146 758766996 /nfs/dbraw/zinc/76/69/96/758766996.db2.gz BNYAIUUMDLDYNZ-VQIMIIECSA-N 1 1 348.491 0.745 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1snc(C)c1C#N ZINC001105909542 762658417 /nfs/dbraw/zinc/65/84/17/762658417.db2.gz JQKUFJRJCWFVBA-NSHDSACASA-N 1 1 325.438 0.554 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001049482312 758792421 /nfs/dbraw/zinc/79/24/21/758792421.db2.gz MHCFHSBZLVSBCR-STQMWFEESA-N 1 1 332.408 0.018 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049523536 758856677 /nfs/dbraw/zinc/85/66/77/758856677.db2.gz ZFYXNRWVJUHSEJ-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001049541599 758894307 /nfs/dbraw/zinc/89/43/07/758894307.db2.gz ANHPZUZQSSBAMK-HOTGVXAUSA-N 1 1 337.464 0.552 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001049583502 758960445 /nfs/dbraw/zinc/96/04/45/758960445.db2.gz WFVBWHGBMRZKGT-OWCLPIDISA-N 1 1 338.473 0.900 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001049583833 758962265 /nfs/dbraw/zinc/96/22/65/758962265.db2.gz ZUKDBZNWOBIJCX-HRCADAONSA-N 1 1 332.448 0.866 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O ZINC001077394938 758984861 /nfs/dbraw/zinc/98/48/61/758984861.db2.gz LESSFGYIDHSSQA-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001022653137 758986194 /nfs/dbraw/zinc/98/61/94/758986194.db2.gz JNTGJSOJHCOPKT-DTORHVGOSA-N 1 1 329.198 0.885 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049608854 758987846 /nfs/dbraw/zinc/98/78/46/758987846.db2.gz SMVDVGYPDBMONZ-ZNMIVQPWSA-N 1 1 329.404 0.617 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cncc(-n2ccnn2)c1 ZINC001049616383 758998596 /nfs/dbraw/zinc/99/85/96/758998596.db2.gz UXXYRAYHWKAZMZ-IAGOWNOFSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-n2cncn2)nc1 ZINC001049629885 759017591 /nfs/dbraw/zinc/01/75/91/759017591.db2.gz MWHBLASDYBFQPN-HZPDHXFCSA-N 1 1 336.399 0.974 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)c(C)nn(C)c1=O ZINC001049631717 759021583 /nfs/dbraw/zinc/02/15/83/759021583.db2.gz STZIYYFZWAQALA-HUUCEWRRSA-N 1 1 328.416 0.709 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnnn2C2CC2)C1 ZINC001022736786 759067092 /nfs/dbraw/zinc/06/70/92/759067092.db2.gz BWMCRIWEZHTKMC-AMVBZWJASA-N 1 1 346.435 0.897 20 30 ECEDMO COC[C@@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)C#CC(C)C)C2)nn1 ZINC001098669957 759087722 /nfs/dbraw/zinc/08/77/22/759087722.db2.gz ZMPMCAWEPMDPMG-ZBFHGGJFSA-N 1 1 333.436 0.835 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049725153 759136194 /nfs/dbraw/zinc/13/61/94/759136194.db2.gz VISASYOXZDHUMB-RFQIPJPRSA-N 1 1 341.839 0.837 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049725153 759136197 /nfs/dbraw/zinc/13/61/97/759136197.db2.gz VISASYOXZDHUMB-RFQIPJPRSA-N 1 1 341.839 0.837 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3csnn3)C2)nn1 ZINC001022825227 759148391 /nfs/dbraw/zinc/14/83/91/759148391.db2.gz VWOWQAYOTNDHFW-MXWKQRLJSA-N 1 1 333.421 0.927 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001049739867 759152572 /nfs/dbraw/zinc/15/25/72/759152572.db2.gz RUAAGQONJLUFSW-BZUAXINKSA-N 1 1 342.447 0.714 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001049788957 759210071 /nfs/dbraw/zinc/21/00/71/759210071.db2.gz SXCKCBWROZYFFV-LSDHHAIUSA-N 1 1 339.399 0.643 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001049837105 759273564 /nfs/dbraw/zinc/27/35/64/759273564.db2.gz ZLASZCHBZXGJKE-LSDHHAIUSA-N 1 1 345.447 0.632 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049845890 759293998 /nfs/dbraw/zinc/29/39/98/759293998.db2.gz CBTDICHLYQJNBJ-UONOGXRCSA-N 1 1 342.403 0.673 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001049850339 759300370 /nfs/dbraw/zinc/30/03/70/759300370.db2.gz YTGZNDHGGKBFFO-JKSUJKDBSA-N 1 1 337.379 0.882 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNc2ncc(C#N)cc2F)C1 ZINC001105913574 762701768 /nfs/dbraw/zinc/70/17/68/762701768.db2.gz FWJUKWGNDQHVBB-YPMHNXCESA-N 1 1 335.383 0.323 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2csc3nccn23)C1 ZINC001047630585 759344101 /nfs/dbraw/zinc/34/41/01/759344101.db2.gz VFXHIMKSINIYJN-KBPBESRZSA-N 1 1 332.429 0.465 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2csc3nccn23)C1 ZINC001047630585 759344110 /nfs/dbraw/zinc/34/41/10/759344110.db2.gz VFXHIMKSINIYJN-KBPBESRZSA-N 1 1 332.429 0.465 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001047633639 759354864 /nfs/dbraw/zinc/35/48/64/759354864.db2.gz FOTJQKXVJPXVRD-JYJNAYRXSA-N 1 1 332.375 0.656 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001049910296 759393835 /nfs/dbraw/zinc/39/38/35/759393835.db2.gz ISVCPUZGECLUOR-HUUCEWRRSA-N 1 1 342.447 0.905 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3nnn(C)c32)C1 ZINC001047654118 759416278 /nfs/dbraw/zinc/41/62/78/759416278.db2.gz RHEMJHTXPNOQRV-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3nnn(C)c32)C1 ZINC001047654118 759416287 /nfs/dbraw/zinc/41/62/87/759416287.db2.gz RHEMJHTXPNOQRV-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001047654110 759416368 /nfs/dbraw/zinc/41/63/68/759416368.db2.gz RDHRYSAIAYZDKO-HOTGVXAUSA-N 1 1 342.399 0.419 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001047654110 759416376 /nfs/dbraw/zinc/41/63/76/759416376.db2.gz RDHRYSAIAYZDKO-HOTGVXAUSA-N 1 1 342.399 0.419 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001054242223 767857598 /nfs/dbraw/zinc/85/75/98/767857598.db2.gz HZTBCOREWAXEBG-GDBMZVCRSA-N 1 1 341.477 0.569 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001054243270 767857938 /nfs/dbraw/zinc/85/79/38/767857938.db2.gz DEQZCYWYPKLVRH-DOTOQJQBSA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C(N)=O)ccn1 ZINC001049935281 759427338 /nfs/dbraw/zinc/42/73/38/759427338.db2.gz IGKDECLFOUOVMA-HOTGVXAUSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCc3nncn3C1)C2 ZINC001054244578 767862038 /nfs/dbraw/zinc/86/20/38/767862038.db2.gz HIRZFYSMQLMVKO-CRAIPNDOSA-N 1 1 327.432 0.788 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047780871 759518366 /nfs/dbraw/zinc/51/83/66/759518366.db2.gz PIFOMNXEHRQYTK-PWSUYJOCSA-N 1 1 328.380 0.050 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001049996360 759519633 /nfs/dbraw/zinc/51/96/33/759519633.db2.gz XXKIHRZAVILFFA-HZSPNIEDSA-N 1 1 332.404 0.218 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001050007188 759542198 /nfs/dbraw/zinc/54/21/98/759542198.db2.gz ZYMGELRVJJJNSX-RRFJBIMHSA-N 1 1 327.856 0.992 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001050007188 759542204 /nfs/dbraw/zinc/54/22/04/759542204.db2.gz ZYMGELRVJJJNSX-RRFJBIMHSA-N 1 1 327.856 0.992 20 30 ECEDMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047812857 759553360 /nfs/dbraw/zinc/55/33/60/759553360.db2.gz YRUBNKIDNKXPNH-WDEREUQCSA-N 1 1 328.380 0.050 20 30 ECEDMO C#CCCCC(=O)N1CCC(OC2C[NH+](C[C@@H](O)COC)C2)CC1 ZINC001105706097 759554990 /nfs/dbraw/zinc/55/49/90/759554990.db2.gz RFIPWCULLQFNID-OAHLLOKOSA-N 1 1 338.448 0.489 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001054250587 767870835 /nfs/dbraw/zinc/87/08/35/767870835.db2.gz XDBYBWXVVGXYHK-KSSFIOAISA-N 1 1 333.432 0.930 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001050026779 759569075 /nfs/dbraw/zinc/56/90/75/759569075.db2.gz QFIKKCQUAHBGSB-ZNMIVQPWSA-N 1 1 327.856 0.992 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001050026779 759569081 /nfs/dbraw/zinc/56/90/81/759569081.db2.gz QFIKKCQUAHBGSB-ZNMIVQPWSA-N 1 1 327.856 0.992 20 30 ECEDMO COCCc1nc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC001047836062 759587997 /nfs/dbraw/zinc/58/79/97/759587997.db2.gz MTXPDEWKXVCEKU-HIFRSBDPSA-N 1 1 346.431 0.999 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1)CC2 ZINC001012265813 759612022 /nfs/dbraw/zinc/61/20/22/759612022.db2.gz ZXFCURUPNBUMHO-JSGCOSHPSA-N 1 1 329.404 0.584 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001050061597 759637454 /nfs/dbraw/zinc/63/74/54/759637454.db2.gz PNMOTVZWAOGBRH-HRCADAONSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnc4ccccn4c3=O)[C@@H]2C1 ZINC001050078575 759664851 /nfs/dbraw/zinc/66/48/51/759664851.db2.gz SDMRHUMQVIZILI-GOEBONIOSA-N 1 1 336.395 0.864 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1 ZINC001050084956 759676815 /nfs/dbraw/zinc/67/68/15/759676815.db2.gz QUGMBNHKOMMAGE-DOTOQJQBSA-N 1 1 343.427 0.664 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)[nH]n3)CC2(C)C)C1=O ZINC000995527016 759707739 /nfs/dbraw/zinc/70/77/39/759707739.db2.gz DJPUFHBMSFHCQH-UKRRQHHQSA-N 1 1 345.447 0.945 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCOc3c(F)cccc32)[C@@H](O)C1 ZINC001083628959 759717971 /nfs/dbraw/zinc/71/79/71/759717971.db2.gz WDHPNBMZHFADQU-BMFZPTHFSA-N 1 1 332.375 0.876 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1)C2 ZINC001012333097 759736335 /nfs/dbraw/zinc/73/63/35/759736335.db2.gz QTZPPHYWXYQHIF-JSGCOSHPSA-N 1 1 329.404 0.584 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cnc(C)[nH]3)CC2(C)C)C1=O ZINC000995547374 759762413 /nfs/dbraw/zinc/76/24/13/759762413.db2.gz JQMJHTRNCUQCPH-DZGCQCFKSA-N 1 1 345.447 0.945 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC001050153774 759814556 /nfs/dbraw/zinc/81/45/56/759814556.db2.gz BAHDSMUNKTVRBK-JKSUJKDBSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC001050153774 759814565 /nfs/dbraw/zinc/81/45/65/759814565.db2.gz BAHDSMUNKTVRBK-JKSUJKDBSA-N 1 1 338.473 0.757 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C(C)(C)C1 ZINC000995578285 759821753 /nfs/dbraw/zinc/82/17/53/759821753.db2.gz FKYRJQHIIJZMQK-VXGBXAGGSA-N 1 1 332.408 0.295 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cc1 ZINC001050158247 759822170 /nfs/dbraw/zinc/82/21/70/759822170.db2.gz IOOGHRDBWKHQMV-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cc1 ZINC001050158247 759822181 /nfs/dbraw/zinc/82/21/81/759822181.db2.gz IOOGHRDBWKHQMV-DOTOQJQBSA-N 1 1 341.411 0.720 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]3C[N@H+]([C@H](CC)C(N)=O)C[C@H]32)nn1 ZINC001050160127 759826193 /nfs/dbraw/zinc/82/61/93/759826193.db2.gz REIWMQHLENAPHS-NWANDNLSSA-N 1 1 346.435 0.264 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1=O ZINC000348493927 759844871 /nfs/dbraw/zinc/84/48/71/759844871.db2.gz CXGMCAJFFCTXMI-MCIONIFRSA-N 1 1 339.436 0.997 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 ZINC001050177610 759872106 /nfs/dbraw/zinc/87/21/06/759872106.db2.gz OADGZTKYTNQGTO-UONOGXRCSA-N 1 1 348.447 0.816 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)nc1 ZINC001050183919 759894486 /nfs/dbraw/zinc/89/44/86/759894486.db2.gz BVOZRVHMXJMEIY-UKPHBRMFSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)nc1 ZINC001050183919 759894491 /nfs/dbraw/zinc/89/44/91/759894491.db2.gz BVOZRVHMXJMEIY-UKPHBRMFSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nnc(C)n4C3)[C@@H]2C1 ZINC001050205147 759938914 /nfs/dbraw/zinc/93/89/14/759938914.db2.gz AGOBRCRRQPMTHU-HRCADAONSA-N 1 1 327.432 0.705 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001054296181 767904418 /nfs/dbraw/zinc/90/44/18/767904418.db2.gz LASVZKROHZLCMV-OAGGEKHMSA-N 1 1 344.463 0.554 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001050222558 759969487 /nfs/dbraw/zinc/96/94/87/759969487.db2.gz BOTNRXZFQLQNDY-GOEBONIOSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@H](OC)C1 ZINC001212141180 760180993 /nfs/dbraw/zinc/18/09/93/760180993.db2.gz HJSXMYVLNBFSNY-ZIAGYGMSSA-N 1 1 337.424 0.546 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC001127046884 760459046 /nfs/dbraw/zinc/45/90/46/760459046.db2.gz VOLYWZNXYZKHBP-LBPRGKRZSA-N 1 1 328.372 0.580 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 ZINC001127717131 760475397 /nfs/dbraw/zinc/47/53/97/760475397.db2.gz IWSXGDUWBQYUHP-UHFFFAOYSA-N 1 1 337.387 0.806 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)[C@H](C)C2)cn1 ZINC001048451989 760552624 /nfs/dbraw/zinc/55/26/24/760552624.db2.gz IEXIFOUZLFFODH-TZMCWYRMSA-N 1 1 339.403 0.084 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC#N)C1 ZINC001048558652 760715801 /nfs/dbraw/zinc/71/58/01/760715801.db2.gz YSCVRIADUMVBOI-YYIAUSFCSA-N 1 1 334.464 0.978 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1nccnc1C(N)=O)C2 ZINC001048587795 760761242 /nfs/dbraw/zinc/76/12/42/760761242.db2.gz AZHXGNYUNFUXHR-BTTYYORXSA-N 1 1 341.415 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2cnsn2)C(C)(C)C1 ZINC000995925272 760787877 /nfs/dbraw/zinc/78/78/77/760787877.db2.gz RDEOTTWQHHEJIH-GJZGRUSLSA-N 1 1 347.488 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2cnsn2)C(C)(C)C1 ZINC000995925272 760787889 /nfs/dbraw/zinc/78/78/89/760787889.db2.gz RDEOTTWQHHEJIH-GJZGRUSLSA-N 1 1 347.488 0.962 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnoc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001083665038 760797412 /nfs/dbraw/zinc/79/74/12/760797412.db2.gz MPFGPTXPALVCCJ-KGLIPLIRSA-N 1 1 331.376 0.426 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC000995915942 760811449 /nfs/dbraw/zinc/81/14/49/760811449.db2.gz HOCVMQMYTKMPRJ-AWEZNQCLSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)C1=O ZINC001048647217 760850367 /nfs/dbraw/zinc/85/03/67/760850367.db2.gz CGCOKLGBWBEKRA-BBWFWOEESA-N 1 1 340.427 0.872 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)s1 ZINC001048671998 760907581 /nfs/dbraw/zinc/90/75/81/760907581.db2.gz PRBLAENONGDEAA-TXEJJXNPSA-N 1 1 343.416 0.197 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CCCC)C1 ZINC001077444284 760944245 /nfs/dbraw/zinc/94/42/45/760944245.db2.gz RQHZNYBURVBKQE-BZUAXINKSA-N 1 1 325.453 0.225 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cn[nH]c4)C[C@H]3C2)C1=O ZINC001048699446 760966393 /nfs/dbraw/zinc/96/63/93/760966393.db2.gz QYLHYZANDXWNCX-ZNMIVQPWSA-N 1 1 329.404 0.200 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccon4)C[C@H]3C2)C1=O ZINC001048701049 760971320 /nfs/dbraw/zinc/97/13/20/760971320.db2.gz SOPYXHGYDZEKEN-GUTXKFCHSA-N 1 1 330.388 0.465 20 30 ECEDMO CS(=O)(=O)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001048707571 760988542 /nfs/dbraw/zinc/98/85/42/760988542.db2.gz MUXIQJUSAWTIIY-IYBDPMFKSA-N 1 1 347.440 0.493 20 30 ECEDMO CS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001048707571 760988544 /nfs/dbraw/zinc/98/85/44/760988544.db2.gz MUXIQJUSAWTIIY-IYBDPMFKSA-N 1 1 347.440 0.493 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)CSC)C[C@]2(C)C1 ZINC001101176857 760990224 /nfs/dbraw/zinc/99/02/24/760990224.db2.gz RGAGUGCLHYUBDS-VBQJREDUSA-N 1 1 337.489 0.515 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCCN1Cc1ccccc1C#N ZINC001050848801 760995797 /nfs/dbraw/zinc/99/57/97/760995797.db2.gz PFSVUHBHZPCKFN-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C)n4)C[C@H]3C2)C1=O ZINC001048724672 761046244 /nfs/dbraw/zinc/04/62/44/761046244.db2.gz DAZVQWNNPAOPQZ-LZWOXQAQSA-N 1 1 343.431 0.509 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)c4cnc(C)[nH]4)C[C@H]3C2)C1=O ZINC001048724672 761046253 /nfs/dbraw/zinc/04/62/53/761046253.db2.gz DAZVQWNNPAOPQZ-LZWOXQAQSA-N 1 1 343.431 0.509 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cnc(C)[nH]4)C[C@H]3C2)C1=O ZINC001048724672 761046266 /nfs/dbraw/zinc/04/62/66/761046266.db2.gz DAZVQWNNPAOPQZ-LZWOXQAQSA-N 1 1 343.431 0.509 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC[C@H]3C)C[C@@H]2C1 ZINC001048727262 761054162 /nfs/dbraw/zinc/05/41/62/761054162.db2.gz INFAHRKGECSDFA-XUWVNRHRSA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001048727918 761054514 /nfs/dbraw/zinc/05/45/14/761054514.db2.gz PHLUZHLSCVNMRB-LJISPDSOSA-N 1 1 339.461 0.361 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000991479936 761142901 /nfs/dbraw/zinc/14/29/01/761142901.db2.gz QWMKMIWBTAKMNN-OAGGEKHMSA-N 1 1 335.448 0.777 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001013263315 761243950 /nfs/dbraw/zinc/24/39/50/761243950.db2.gz RZDYGQIAUMDDOW-ABAIWWIYSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001212148944 761273047 /nfs/dbraw/zinc/27/30/47/761273047.db2.gz VYNLQYHMQSUNRB-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001212148944 761273051 /nfs/dbraw/zinc/27/30/51/761273051.db2.gz VYNLQYHMQSUNRB-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001050990198 761283915 /nfs/dbraw/zinc/28/39/15/761283915.db2.gz AAKACTGZQNJDHZ-UONOGXRCSA-N 1 1 349.435 0.329 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001050990198 761283916 /nfs/dbraw/zinc/28/39/16/761283916.db2.gz AAKACTGZQNJDHZ-UONOGXRCSA-N 1 1 349.435 0.329 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C ZINC001051026564 761358303 /nfs/dbraw/zinc/35/83/03/761358303.db2.gz CHKYFIPLEKXMSK-NFAWXSAZSA-N 1 1 328.420 0.916 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC(OC2C[NH+](CCCO)C2)CC1 ZINC001105735821 761418223 /nfs/dbraw/zinc/41/82/23/761418223.db2.gz BBGPTTXAXFQBHX-CQSZACIVSA-N 1 1 326.437 0.652 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cn3nnc(-c4ccco4)n3)CCC[C@@H]12 ZINC000991542787 761479327 /nfs/dbraw/zinc/47/93/27/761479327.db2.gz RZPCXPPZVNZDDW-RHSMWYFYSA-N 1 1 340.387 0.680 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)[nH]c2C)C1 ZINC000991543399 761487395 /nfs/dbraw/zinc/48/73/95/761487395.db2.gz CVJSOMUCYYRRMC-INIZCTEOSA-N 1 1 328.416 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)[nH]c2C)C1 ZINC000991543399 761487398 /nfs/dbraw/zinc/48/73/98/761487398.db2.gz CVJSOMUCYYRRMC-INIZCTEOSA-N 1 1 328.416 0.670 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001054550286 768038777 /nfs/dbraw/zinc/03/87/77/768038777.db2.gz CSEQSSOQIBMMMX-RISCZKNCSA-N 1 1 342.407 0.704 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1snc(Cl)c1C#N ZINC001105754369 761531227 /nfs/dbraw/zinc/53/12/27/761531227.db2.gz GDANDSRLKMXUKH-SCZZXKLOSA-N 1 1 343.840 0.651 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C)n1 ZINC001054588713 768056944 /nfs/dbraw/zinc/05/69/44/768056944.db2.gz SHSZAXIQNLDNBE-XHDPSFHLSA-N 1 1 327.392 0.748 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(F)ccc3n2)C1 ZINC001077461256 762719110 /nfs/dbraw/zinc/71/91/10/762719110.db2.gz QPMRNNZEYRADBX-HUUCEWRRSA-N 1 1 330.363 0.201 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCS(=O)(=O)C3)CCC[C@@H]12 ZINC000991685820 762726824 /nfs/dbraw/zinc/72/68/24/762726824.db2.gz XONNWPHKIQTERZ-BFYDXBDKSA-N 1 1 338.473 0.948 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCS(=O)(=O)C3)CCC[C@@H]12 ZINC000991685820 762726825 /nfs/dbraw/zinc/72/68/25/762726825.db2.gz XONNWPHKIQTERZ-BFYDXBDKSA-N 1 1 338.473 0.948 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C[C@H]1O ZINC001051701667 762733652 /nfs/dbraw/zinc/73/36/52/762733652.db2.gz UBOYYRKNHSXMML-HUUCEWRRSA-N 1 1 340.387 0.214 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccn(CC)n3)C2)C1=O ZINC001014512049 762777919 /nfs/dbraw/zinc/77/79/19/762777919.db2.gz MXLGJDZBHASZDV-JKSUJKDBSA-N 1 1 345.447 0.423 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3ccn(CC)n3)C2)C1=O ZINC001014512049 762777926 /nfs/dbraw/zinc/77/79/26/762777926.db2.gz MXLGJDZBHASZDV-JKSUJKDBSA-N 1 1 345.447 0.423 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)C2)cc1F ZINC001014567825 762838858 /nfs/dbraw/zinc/83/88/58/762838858.db2.gz VNCLHTOSLBEGGX-AWEZNQCLSA-N 1 1 328.351 0.680 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3nccn3)C2)cc1F ZINC001014567825 762838867 /nfs/dbraw/zinc/83/88/67/762838867.db2.gz VNCLHTOSLBEGGX-AWEZNQCLSA-N 1 1 328.351 0.680 20 30 ECEDMO C=CCOCCCC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@@]2(C)C1 ZINC001101190730 762861180 /nfs/dbraw/zinc/86/11/80/762861180.db2.gz SSSGLZBSJCEIAW-RKVPGOIHSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C(C)C)C1 ZINC001051755937 762887318 /nfs/dbraw/zinc/88/73/18/762887318.db2.gz MCBCTQFKOORORN-ZDUSSCGKSA-N 1 1 336.440 0.783 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)CC1=O ZINC001014615103 762906788 /nfs/dbraw/zinc/90/67/88/762906788.db2.gz HCVYHTOLSSKJKT-IRXDYDNUSA-N 1 1 325.412 0.707 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CC1=O ZINC001014615103 762906789 /nfs/dbraw/zinc/90/67/89/762906789.db2.gz HCVYHTOLSSKJKT-IRXDYDNUSA-N 1 1 325.412 0.707 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncc(C)o3)C2)nn1 ZINC001051860756 763137135 /nfs/dbraw/zinc/13/71/35/763137135.db2.gz PVUICNWMXGQRLY-CYBMUJFWSA-N 1 1 346.391 0.391 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccn2nnnc2c1 ZINC001089847503 763156211 /nfs/dbraw/zinc/15/62/11/763156211.db2.gz VEKYFFTUWDNWIN-JJXSEGSLSA-N 1 1 336.399 0.540 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 ZINC001089852632 763174886 /nfs/dbraw/zinc/17/48/86/763174886.db2.gz IPDKZKCOBASPKT-QAETUUGQSA-N 1 1 338.411 0.712 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046830580 763189584 /nfs/dbraw/zinc/18/95/84/763189584.db2.gz ZMEZNFLNESHBMV-KBRIMQKVSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046830580 763189588 /nfs/dbraw/zinc/18/95/88/763189588.db2.gz ZMEZNFLNESHBMV-KBRIMQKVSA-N 1 1 343.431 0.981 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1CCCNC1=O ZINC001014811974 763214643 /nfs/dbraw/zinc/21/46/43/763214643.db2.gz PSBTZOHIJGBGHJ-DLBZAZTESA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCCNC1=O ZINC001014811974 763214649 /nfs/dbraw/zinc/21/46/49/763214649.db2.gz PSBTZOHIJGBGHJ-DLBZAZTESA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1CCCNC1=O ZINC001014811978 763215590 /nfs/dbraw/zinc/21/55/90/763215590.db2.gz PSBTZOHIJGBGHJ-IAGOWNOFSA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCCNC1=O ZINC001014811978 763215605 /nfs/dbraw/zinc/21/56/05/763215605.db2.gz PSBTZOHIJGBGHJ-IAGOWNOFSA-N 1 1 325.412 0.755 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN([C@H]3CCCNC3=O)C2)CC1 ZINC001046849055 763226921 /nfs/dbraw/zinc/22/69/21/763226921.db2.gz ADPMLSGVSIRRRK-QFBILLFUSA-N 1 1 346.475 0.191 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CCN([C@H](CC)C(N)=O)C2)CC1 ZINC001046849179 763227686 /nfs/dbraw/zinc/22/76/86/763227686.db2.gz CCQMBZQLCWUADR-QAPCUYQASA-N 1 1 334.464 0.176 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nocc3C)C2)cn1 ZINC001051905333 763293067 /nfs/dbraw/zinc/29/30/67/763293067.db2.gz AFRQSPYLRCWDMN-MRXNPFEDSA-N 1 1 340.383 0.990 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2O)C1 ZINC000991762635 763314024 /nfs/dbraw/zinc/31/40/24/763314024.db2.gz GFGIFBCRKQXUEL-GJZGRUSLSA-N 1 1 346.431 0.626 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCN(CC)C3=O)C2)cc1 ZINC001031892125 763345626 /nfs/dbraw/zinc/34/56/26/763345626.db2.gz NNHCYMXZOROXNU-QGZVFWFLSA-N 1 1 325.412 0.950 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001046906985 763359096 /nfs/dbraw/zinc/35/90/96/763359096.db2.gz FRLOIQUEEZTMEX-KKUMJFAQSA-N 1 1 342.447 0.950 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000940526640 763365465 /nfs/dbraw/zinc/36/54/65/763365465.db2.gz XABYSLSWYCKRDC-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCC2(F)F)c[nH]1 ZINC001046929250 763404544 /nfs/dbraw/zinc/40/45/44/763404544.db2.gz YXQJKFLJXIMGDR-GFCCVEGCSA-N 1 1 326.347 0.956 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CC(Nc3cncc(C#N)n3)C2)C1 ZINC001051947336 763417247 /nfs/dbraw/zinc/41/72/47/763417247.db2.gz FNGYSDGBBQNFMF-PIMMBPRGSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2CC(Nc3cncc(C#N)n3)C2)C1 ZINC001051947336 763417253 /nfs/dbraw/zinc/41/72/53/763417253.db2.gz FNGYSDGBBQNFMF-PIMMBPRGSA-N 1 1 344.419 0.376 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001046944875 763433413 /nfs/dbraw/zinc/43/34/13/763433413.db2.gz PHLSSIAAMWPXLL-LBPRGKRZSA-N 1 1 348.357 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cccnc2OC)C1 ZINC001030462300 763436691 /nfs/dbraw/zinc/43/66/91/763436691.db2.gz PYRBFVNZJWQNJD-INIZCTEOSA-N 1 1 328.416 0.488 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cccnc2OC)C1 ZINC001030462300 763436696 /nfs/dbraw/zinc/43/66/96/763436696.db2.gz PYRBFVNZJWQNJD-INIZCTEOSA-N 1 1 328.416 0.488 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccnn2CCOC)C1 ZINC001046948483 763441278 /nfs/dbraw/zinc/44/12/78/763441278.db2.gz IZHSGOLTQOFHHS-CYBMUJFWSA-N 1 1 340.374 0.850 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccnn2CCOC)C1 ZINC001046948483 763441282 /nfs/dbraw/zinc/44/12/82/763441282.db2.gz IZHSGOLTQOFHHS-CYBMUJFWSA-N 1 1 340.374 0.850 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnsc2Cl)C1 ZINC001030463922 763442834 /nfs/dbraw/zinc/44/28/34/763442834.db2.gz APFCSURZZLIUMP-LBPRGKRZSA-N 1 1 339.852 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnsc2Cl)C1 ZINC001030463922 763442837 /nfs/dbraw/zinc/44/28/37/763442837.db2.gz APFCSURZZLIUMP-LBPRGKRZSA-N 1 1 339.852 0.590 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001046950110 763443832 /nfs/dbraw/zinc/44/38/32/763443832.db2.gz FBUAMMPSMFROEV-CHWSQXEVSA-N 1 1 327.375 0.609 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000995086664 763450931 /nfs/dbraw/zinc/45/09/31/763450931.db2.gz PFPJAAYAQRBVCD-INIZCTEOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001030464365 763457226 /nfs/dbraw/zinc/45/72/26/763457226.db2.gz QOHRKWDHSZCSQP-DLBZAZTESA-N 1 1 344.459 0.038 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001030464365 763457235 /nfs/dbraw/zinc/45/72/35/763457235.db2.gz QOHRKWDHSZCSQP-DLBZAZTESA-N 1 1 344.459 0.038 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046963861 763474492 /nfs/dbraw/zinc/47/44/92/763474492.db2.gz VRVQMOUIFOAYNO-NWDGAFQWSA-N 1 1 330.379 0.660 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001046965141 763477785 /nfs/dbraw/zinc/47/77/85/763477785.db2.gz IJUYCNYMQOXCPN-LLVKDONJSA-N 1 1 326.347 0.836 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001046965141 763477793 /nfs/dbraw/zinc/47/77/93/763477793.db2.gz IJUYCNYMQOXCPN-LLVKDONJSA-N 1 1 326.347 0.836 20 30 ECEDMO N#Cc1nccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001105995072 763482502 /nfs/dbraw/zinc/48/25/02/763482502.db2.gz LPEROWJHEVFGRV-YPMHNXCESA-N 1 1 341.375 0.011 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001105995146 763483514 /nfs/dbraw/zinc/48/35/14/763483514.db2.gz NZGDEZBLAWDZFJ-HOTGVXAUSA-N 1 1 345.447 0.527 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001046967643 763483674 /nfs/dbraw/zinc/48/36/74/763483674.db2.gz WLEIFLHRZSBTBQ-NSHDSACASA-N 1 1 348.357 0.684 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001046967643 763483678 /nfs/dbraw/zinc/48/36/78/763483678.db2.gz WLEIFLHRZSBTBQ-NSHDSACASA-N 1 1 348.357 0.684 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001046984817 763514961 /nfs/dbraw/zinc/51/49/61/763514961.db2.gz YNLWHSSCFWRSBT-LBPRGKRZSA-N 1 1 338.358 0.824 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001046992362 763527175 /nfs/dbraw/zinc/52/71/75/763527175.db2.gz SUKSJTAMXQUIRE-KGLIPLIRSA-N 1 1 345.390 0.493 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001046993051 763528168 /nfs/dbraw/zinc/52/81/68/763528168.db2.gz JLYCXASNZRFHAR-LBPRGKRZSA-N 1 1 338.358 0.824 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001046995948 763536128 /nfs/dbraw/zinc/53/61/28/763536128.db2.gz NQUASCYPUOVPQL-GFCCVEGCSA-N 1 1 336.342 0.501 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001046995948 763536134 /nfs/dbraw/zinc/53/61/34/763536134.db2.gz NQUASCYPUOVPQL-GFCCVEGCSA-N 1 1 336.342 0.501 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001046999018 763540936 /nfs/dbraw/zinc/54/09/36/763540936.db2.gz ZEKDMDHCXPNJLR-STQMWFEESA-N 1 1 342.390 0.626 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(CC)c3)C2)CC1 ZINC001052000739 763557683 /nfs/dbraw/zinc/55/76/83/763557683.db2.gz PHUTVUKZVCFCDZ-QGZVFWFLSA-N 1 1 329.448 0.758 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3nc(C)no3)C2)nn1 ZINC000995112807 763564676 /nfs/dbraw/zinc/56/46/76/763564676.db2.gz MCLBRVUZCDZXJP-OLZOCXBDSA-N 1 1 345.407 0.844 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)CCOCCNc1ccc(C#N)nn1 ZINC001127320382 768145416 /nfs/dbraw/zinc/14/54/16/768145416.db2.gz SQGRCNVDGYXZHX-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)C1 ZINC001106004192 763611258 /nfs/dbraw/zinc/61/12/58/763611258.db2.gz OBMCTXCPADUMHX-UKRRQHHQSA-N 1 1 346.435 0.215 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnnn3CC)C2)CC1 ZINC001052024870 763614135 /nfs/dbraw/zinc/61/41/35/763614135.db2.gz PMLWIJRSNMNJDE-OAHLLOKOSA-N 1 1 330.436 0.153 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)CC[N@H+]1C ZINC001052031247 763632698 /nfs/dbraw/zinc/63/26/98/763632698.db2.gz IBJLGMAXIKNASR-YESZJQIVSA-N 1 1 333.480 0.459 20 30 ECEDMO Cc1ccn(C[C@H](C)C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052032777 763635086 /nfs/dbraw/zinc/63/50/86/763635086.db2.gz KGYJDKZBBKEZIE-DOTOQJQBSA-N 1 1 344.463 0.570 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn4c(n3)CCCC4)C2)CC1 ZINC001052033039 763636264 /nfs/dbraw/zinc/63/62/64/763636264.db2.gz MIGKPGAMWMTQEX-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001052035379 763641705 /nfs/dbraw/zinc/64/17/05/763641705.db2.gz BPCYYWNYHNHMCK-GOSISDBHSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001052035379 763641710 /nfs/dbraw/zinc/64/17/10/763641710.db2.gz BPCYYWNYHNHMCK-GOSISDBHSA-N 1 1 332.492 0.713 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035871 763645132 /nfs/dbraw/zinc/64/51/32/763645132.db2.gz SDOHGDURUPVICN-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001052036683 763650355 /nfs/dbraw/zinc/65/03/55/763650355.db2.gz SJWNHHSLJRLWEN-KRWDZBQOSA-N 1 1 332.492 0.713 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C2)CC1 ZINC001052040802 763663907 /nfs/dbraw/zinc/66/39/07/763663907.db2.gz LAQVAQMZAPIGAW-INIZCTEOSA-N 1 1 340.431 0.976 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052040757 763664115 /nfs/dbraw/zinc/66/41/15/763664115.db2.gz JPLSQVDQOVREMC-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)CC1 ZINC001052041592 763668599 /nfs/dbraw/zinc/66/85/99/763668599.db2.gz MAEJINYGPCAOIQ-YJBOKZPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)CC1 ZINC001052041592 763668600 /nfs/dbraw/zinc/66/86/00/763668600.db2.gz MAEJINYGPCAOIQ-YJBOKZPZSA-N 1 1 334.464 0.307 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N ZINC001106010418 763688626 /nfs/dbraw/zinc/68/86/26/763688626.db2.gz AETZPHYHVJFLAC-AWEZNQCLSA-N 1 1 333.436 0.881 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(C)c3CC)C2)CC1 ZINC001052047953 763692373 /nfs/dbraw/zinc/69/23/73/763692373.db2.gz GOONCVNZKVBPIH-MRXNPFEDSA-N 1 1 343.475 0.838 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccn(CCOC)n3)C2)CC1 ZINC001052049450 763702612 /nfs/dbraw/zinc/70/26/12/763702612.db2.gz LYZOPTCAPURNOA-MRXNPFEDSA-N 1 1 347.463 0.548 20 30 ECEDMO Cc1nccc(CCC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052053578 763718828 /nfs/dbraw/zinc/71/88/28/763718828.db2.gz NRQGCTYOYNEJBS-KRWDZBQOSA-N 1 1 342.447 0.460 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C2)CC1 ZINC001052059556 763737531 /nfs/dbraw/zinc/73/75/31/763737531.db2.gz KOPLIKQQFBAVQU-QGZVFWFLSA-N 1 1 343.475 0.431 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(CC#Cc3ccc(F)cc3)C2)O1 ZINC001030516074 763762632 /nfs/dbraw/zinc/76/26/32/763762632.db2.gz SHHXMLVSTJRAGS-RDTXWAMCSA-N 1 1 345.418 0.697 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(CC#Cc3ccc(F)cc3)C2)O1 ZINC001030516074 763762638 /nfs/dbraw/zinc/76/26/38/763762638.db2.gz SHHXMLVSTJRAGS-RDTXWAMCSA-N 1 1 345.418 0.697 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001052068659 763762668 /nfs/dbraw/zinc/76/26/68/763762668.db2.gz MBAUWIQWTDMABE-OALUTQOASA-N 1 1 346.519 0.960 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3cccc(C#N)c3)C2)O1 ZINC001030516129 763764793 /nfs/dbraw/zinc/76/47/93/763764793.db2.gz VDJBMMSIICVZLE-CXAGYDPISA-N 1 1 328.416 0.578 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3cccc(C#N)c3)C2)O1 ZINC001030516129 763764796 /nfs/dbraw/zinc/76/47/96/763764796.db2.gz VDJBMMSIICVZLE-CXAGYDPISA-N 1 1 328.416 0.578 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941604113 763817689 /nfs/dbraw/zinc/81/76/89/763817689.db2.gz TUGMHVDUGWZGLZ-MJGOQNOKSA-N 1 1 344.503 0.855 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H](C)n3ccnc3)C2)CC1 ZINC001052089451 763824930 /nfs/dbraw/zinc/82/49/30/763824930.db2.gz QYOUEQSNQSKUHI-IRXDYDNUSA-N 1 1 329.448 0.686 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)CC1 ZINC001052091927 763830733 /nfs/dbraw/zinc/83/07/33/763830733.db2.gz PCFSBRQIOHWUNI-FGTMMUONSA-N 1 1 341.459 0.375 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cn(C)nc3C)C2)CC1 ZINC001052092441 763832825 /nfs/dbraw/zinc/83/28/25/763832825.db2.gz DXZGYOHFWXOHPT-SFHVURJKSA-N 1 1 343.475 0.513 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)C2)CC1 ZINC001052097979 763852105 /nfs/dbraw/zinc/85/21/05/763852105.db2.gz AWTMBMHNBBFUPF-YOEHRIQHSA-N 1 1 343.475 0.982 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCCNC3=O)C2)c1 ZINC001015086905 763853860 /nfs/dbraw/zinc/85/38/60/763853860.db2.gz IIFUULUHIRHCNC-MRXNPFEDSA-N 1 1 341.415 0.664 20 30 ECEDMO CCc1c[nH]c(=O)c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052102138 763865180 /nfs/dbraw/zinc/86/51/80/763865180.db2.gz XWXSIMSDEPXWOX-OAHLLOKOSA-N 1 1 343.431 0.705 20 30 ECEDMO C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)n1cccn1 ZINC001052102640 763866915 /nfs/dbraw/zinc/86/69/15/763866915.db2.gz GGJJJUXNPBMCIN-JKSUJKDBSA-N 1 1 330.436 0.576 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(C(F)F)c3)C2)CC1 ZINC001052102608 763867058 /nfs/dbraw/zinc/86/70/58/763867058.db2.gz FNZLNSWPPXWQPB-CQSZACIVSA-N 1 1 337.374 0.744 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNc1cccc(F)c1C#N ZINC001106026828 763872527 /nfs/dbraw/zinc/87/25/27/763872527.db2.gz SVQWHXKOVYOBLO-GFCCVEGCSA-N 1 1 331.351 0.792 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)CC1 ZINC001052105900 763877583 /nfs/dbraw/zinc/87/75/83/763877583.db2.gz UXIFWJZFMCBMGY-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)CC1 ZINC001052106980 763885716 /nfs/dbraw/zinc/88/57/16/763885716.db2.gz YKZBAPILMQGUOO-HOTGVXAUSA-N 1 1 349.479 0.324 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)CC1 ZINC001052106980 763885720 /nfs/dbraw/zinc/88/57/20/763885720.db2.gz YKZBAPILMQGUOO-HOTGVXAUSA-N 1 1 349.479 0.324 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2nc(C)cc(C#N)n2)C1 ZINC001106344814 768172719 /nfs/dbraw/zinc/17/27/19/768172719.db2.gz QOYGSRZDUSAKHY-WFASDCNBSA-N 1 1 346.435 0.684 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2nc(C)cc(C#N)n2)C1 ZINC001106344814 768172722 /nfs/dbraw/zinc/17/27/22/768172722.db2.gz QOYGSRZDUSAKHY-WFASDCNBSA-N 1 1 346.435 0.684 20 30 ECEDMO COc1ccc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cc1 ZINC001052113389 763912505 /nfs/dbraw/zinc/91/25/05/763912505.db2.gz TZBIYOOWKPCEAW-KRWDZBQOSA-N 1 1 342.443 0.980 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C2)CC1 ZINC001052117275 763926348 /nfs/dbraw/zinc/92/63/48/763926348.db2.gz COGNSRICUYYYIU-INIZCTEOSA-N 1 1 343.431 0.199 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C2)CC1 ZINC001052121630 763943956 /nfs/dbraw/zinc/94/39/56/763943956.db2.gz FHBZGNRTZNAMTI-CQSZACIVSA-N 1 1 343.431 0.199 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C2)CC1 ZINC001052130747 763962490 /nfs/dbraw/zinc/96/24/90/763962490.db2.gz BTDZOPOFQCQYDH-HNNXBMFYSA-N 1 1 343.431 0.199 20 30 ECEDMO COCC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](COC)OC ZINC001099220073 768179026 /nfs/dbraw/zinc/17/90/26/768179026.db2.gz GXVAAEJFKJDYAN-HOTGVXAUSA-N 1 1 340.464 0.904 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](COC)OC ZINC001099220073 768179031 /nfs/dbraw/zinc/17/90/31/768179031.db2.gz GXVAAEJFKJDYAN-HOTGVXAUSA-N 1 1 340.464 0.904 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC001031988106 763996215 /nfs/dbraw/zinc/99/62/15/763996215.db2.gz LNVUJGGRECHTAG-IKGGRYGDSA-N 1 1 347.459 0.779 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC3(C2)CCN(CC(N)=O)CC3)CC1 ZINC001040947958 764028636 /nfs/dbraw/zinc/02/86/36/764028636.db2.gz KAZKMKIWVZWYLN-UHFFFAOYSA-N 1 1 346.475 0.131 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001047338031 764046366 /nfs/dbraw/zinc/04/63/66/764046366.db2.gz PTGUPCWEVLKALC-RYUDHWBXSA-N 1 1 330.310 0.956 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001047338031 764046377 /nfs/dbraw/zinc/04/63/77/764046377.db2.gz PTGUPCWEVLKALC-RYUDHWBXSA-N 1 1 330.310 0.956 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(C)[nH]c3=O)C2)C1=O ZINC001032008459 764107438 /nfs/dbraw/zinc/10/74/38/764107438.db2.gz CGXBOPYEMQZOPD-HNNXBMFYSA-N 1 1 344.415 0.544 20 30 ECEDMO CN(C(=O)c1cnnn1C)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047368015 764133189 /nfs/dbraw/zinc/13/31/89/764133189.db2.gz WDHCSQHTBHFAJM-HOTGVXAUSA-N 1 1 340.387 0.004 20 30 ECEDMO CN(C(=O)c1cnnn1C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047368015 764133197 /nfs/dbraw/zinc/13/31/97/764133197.db2.gz WDHCSQHTBHFAJM-HOTGVXAUSA-N 1 1 340.387 0.004 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(C)=C3CCC3)C2)C1=O ZINC001047377322 764160893 /nfs/dbraw/zinc/16/08/93/764160893.db2.gz AFYHEEVXEYGQEK-IKGGRYGDSA-N 1 1 347.459 0.777 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(C)=C3CCC3)C2)C1=O ZINC001047377322 764160898 /nfs/dbraw/zinc/16/08/98/764160898.db2.gz AFYHEEVXEYGQEK-IKGGRYGDSA-N 1 1 347.459 0.777 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC(F)F)C1 ZINC001047380098 764168520 /nfs/dbraw/zinc/16/85/20/764168520.db2.gz YYKOSKYAXRNDTA-STQMWFEESA-N 1 1 328.363 0.841 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccn(CC)n3)C2)C1=O ZINC001032028729 764195052 /nfs/dbraw/zinc/19/50/52/764195052.db2.gz ZCEZXNYXBJPXNT-OAHLLOKOSA-N 1 1 331.420 0.352 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047392512 764196595 /nfs/dbraw/zinc/19/65/95/764196595.db2.gz LXBMZFLATZSWDY-IKGGRYGDSA-N 1 1 347.459 0.162 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2)C1=O ZINC001052309840 764226156 /nfs/dbraw/zinc/22/61/56/764226156.db2.gz OHTZEYIQQWGCFK-IUODEOHRSA-N 1 1 329.404 0.701 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001047405492 764238215 /nfs/dbraw/zinc/23/82/15/764238215.db2.gz GITLTKLWCGZOSE-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001047405492 764238222 /nfs/dbraw/zinc/23/82/22/764238222.db2.gz GITLTKLWCGZOSE-HOTGVXAUSA-N 1 1 339.399 0.612 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncnc3ccsc32)C1 ZINC001047405836 764239693 /nfs/dbraw/zinc/23/96/93/764239693.db2.gz XLHIJXDAELOYKY-STQMWFEESA-N 1 1 330.413 0.832 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncnc3ccsc32)C1 ZINC001047405836 764239698 /nfs/dbraw/zinc/23/96/98/764239698.db2.gz XLHIJXDAELOYKY-STQMWFEESA-N 1 1 330.413 0.832 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)[nH]1 ZINC001052319640 764243717 /nfs/dbraw/zinc/24/37/17/764243717.db2.gz HWFXRZXKFAHOCY-WFASDCNBSA-N 1 1 329.404 0.749 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001047407912 764250938 /nfs/dbraw/zinc/25/09/38/764250938.db2.gz SIDUELBZBVTBKW-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001047407912 764250945 /nfs/dbraw/zinc/25/09/45/764250945.db2.gz SIDUELBZBVTBKW-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001047407909 764251515 /nfs/dbraw/zinc/25/15/15/764251515.db2.gz QHAILHIXNZNRCY-COXVUDFISA-N 1 1 330.432 0.661 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC(F)F)n2)C1 ZINC001047419739 764288144 /nfs/dbraw/zinc/28/81/44/764288144.db2.gz QGXZRCHOWPVLEZ-STQMWFEESA-N 1 1 328.363 0.841 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)C1 ZINC001106068996 764298029 /nfs/dbraw/zinc/29/80/29/764298029.db2.gz KOIWCFADMYUKHD-CVEARBPZSA-N 1 1 345.447 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnnn3C)CC2)C1=O ZINC001052349840 764308753 /nfs/dbraw/zinc/30/87/53/764308753.db2.gz LYNWYAGGUYAGEE-ZIAGYGMSSA-N 1 1 346.435 0.186 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001047427948 764313911 /nfs/dbraw/zinc/31/39/11/764313911.db2.gz PUPMEPNEVBIHNX-KBMXLJTQSA-N 1 1 330.432 0.606 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(C)nn(C)c3s2)C1 ZINC001077478146 764328770 /nfs/dbraw/zinc/32/87/70/764328770.db2.gz ZQDIKOWGMXAFSH-CHWSQXEVSA-N 1 1 332.429 0.741 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(C)nn(C)c3s2)C1 ZINC001077478146 764328771 /nfs/dbraw/zinc/32/87/71/764328771.db2.gz ZQDIKOWGMXAFSH-CHWSQXEVSA-N 1 1 332.429 0.741 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)C3CC(=O)NC(=O)C3)C2)c1 ZINC001032051692 764334409 /nfs/dbraw/zinc/33/44/09/764334409.db2.gz ZOVZXPCKHJOVIO-UHFFFAOYSA-N 1 1 340.383 0.159 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(c4cncc(C#N)n4)C[C@@]3(C)C2)C1 ZINC001052365965 764340618 /nfs/dbraw/zinc/34/06/18/764340618.db2.gz OIFNIIVJDXXRNR-LBTNJELSSA-N 1 1 340.431 0.585 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 ZINC001098785226 768206939 /nfs/dbraw/zinc/20/69/39/768206939.db2.gz QCJRDTHFHCUJDB-JKSUJKDBSA-N 1 1 345.451 0.539 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 ZINC001052377532 764362544 /nfs/dbraw/zinc/36/25/44/764362544.db2.gz BESLBCMLGSBQSI-MRXNPFEDSA-N 1 1 339.403 0.716 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001047445897 764370684 /nfs/dbraw/zinc/37/06/84/764370684.db2.gz PXHMHKRSPVVNER-IRXDYDNUSA-N 1 1 341.411 0.346 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001047451994 764388730 /nfs/dbraw/zinc/38/87/30/764388730.db2.gz RREBMYXVKXUBBM-IRXDYDNUSA-N 1 1 341.411 0.712 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC001047456814 764399697 /nfs/dbraw/zinc/39/96/97/764399697.db2.gz XTRVYLOICBKXEN-PVAVHDDUSA-N 1 1 346.402 0.904 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001047462560 764417545 /nfs/dbraw/zinc/41/75/45/764417545.db2.gz IJQFAJKBZCYJGY-KKUMJFAQSA-N 1 1 333.436 0.310 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001047467573 764426824 /nfs/dbraw/zinc/42/68/24/764426824.db2.gz IAMHIQCCLDJTFC-GJZGRUSLSA-N 1 1 345.403 0.613 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015357503 764430964 /nfs/dbraw/zinc/43/09/64/764430964.db2.gz PKBMOIIRSOAFMJ-BBWFWOEESA-N 1 1 337.464 0.633 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001047470470 764433856 /nfs/dbraw/zinc/43/38/56/764433856.db2.gz PURBRAWGGMATBU-IHRRRGAJSA-N 1 1 336.461 0.801 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001047470470 764433861 /nfs/dbraw/zinc/43/38/61/764433861.db2.gz PURBRAWGGMATBU-IHRRRGAJSA-N 1 1 336.461 0.801 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)S(C)(=O)=O)C1 ZINC001089872805 764442459 /nfs/dbraw/zinc/44/24/59/764442459.db2.gz JYKRMXVAHSFICJ-AJNGGQMLSA-N 1 1 338.473 0.612 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)CNC(=O)C1 ZINC001015374490 764470605 /nfs/dbraw/zinc/47/06/05/764470605.db2.gz DBVYPKCOGVZOFE-QFBILLFUSA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CNC(=O)C1 ZINC001015374490 764470612 /nfs/dbraw/zinc/47/06/12/764470612.db2.gz DBVYPKCOGVZOFE-QFBILLFUSA-N 1 1 325.412 0.755 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001052427623 764471255 /nfs/dbraw/zinc/47/12/55/764471255.db2.gz AKGZHFZDEVFQAR-CQSZACIVSA-N 1 1 334.420 0.094 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001052429003 764476560 /nfs/dbraw/zinc/47/65/60/764476560.db2.gz LFHZGNTWVQTRMM-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001077579623 764483734 /nfs/dbraw/zinc/48/37/34/764483734.db2.gz JKFXPXYNYSAKHX-BFHYXJOUSA-N 1 1 331.407 0.701 20 30 ECEDMO CN(C(=O)c1n[nH]cc1F)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047517299 764568472 /nfs/dbraw/zinc/56/84/72/764568472.db2.gz CFICIIOOBJRLHB-GJZGRUSLSA-N 1 1 343.362 0.738 20 30 ECEDMO CN(C(=O)c1n[nH]cc1F)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047517299 764568477 /nfs/dbraw/zinc/56/84/77/764568477.db2.gz CFICIIOOBJRLHB-GJZGRUSLSA-N 1 1 343.362 0.738 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001047521929 764580241 /nfs/dbraw/zinc/58/02/41/764580241.db2.gz CRRNGOXJHPPORS-HOTGVXAUSA-N 1 1 341.415 0.961 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)c1 ZINC001047521396 764580805 /nfs/dbraw/zinc/58/08/05/764580805.db2.gz PQMKTFFWHLCYGU-ROUUACIJSA-N 1 1 343.427 0.749 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cn(CC=C)nn2)C1 ZINC001089874498 764591443 /nfs/dbraw/zinc/59/14/43/764591443.db2.gz HRXZGTRTGCFLSJ-JKQORVJESA-N 1 1 325.416 0.880 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(=O)n(CC)n1 ZINC001089874609 764592223 /nfs/dbraw/zinc/59/22/23/764592223.db2.gz ALMIDALGDUNJCA-MPTYRVRUSA-N 1 1 340.427 0.679 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3ncn(C)c3n2)C1 ZINC001047525697 764592682 /nfs/dbraw/zinc/59/26/82/764592682.db2.gz QAPGHPBDUXFCIZ-GJZGRUSLSA-N 1 1 329.404 0.662 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)nn1 ZINC001098767138 764597301 /nfs/dbraw/zinc/59/73/01/764597301.db2.gz JPJCTXZXUXEXKL-ZFWWWQNUSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001047528680 764604716 /nfs/dbraw/zinc/60/47/16/764604716.db2.gz XNJSBMSVHUOQLU-XIRDDKMYSA-N 1 1 332.448 0.834 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001077481757 764628261 /nfs/dbraw/zinc/62/82/61/764628261.db2.gz DWFCAKBGGDCDKG-HUUCEWRRSA-N 1 1 327.388 0.075 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnnn1 ZINC001089879834 764636230 /nfs/dbraw/zinc/63/62/30/764636230.db2.gz FNHVRCIKIMBRKR-JJXSEGSLSA-N 1 1 330.436 0.808 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2c3ccccc3CC2=O)C1 ZINC001047545096 764650842 /nfs/dbraw/zinc/65/08/42/764650842.db2.gz LRXXSKCJRWAKQO-IRXDYDNUSA-N 1 1 341.411 0.103 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnccc1=O ZINC001089882807 764660409 /nfs/dbraw/zinc/66/04/09/764660409.db2.gz GRGRBIPZTCULSJ-YVSFHVDLSA-N 1 1 340.427 0.435 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2NC(C)=O)C1 ZINC001047551923 764669835 /nfs/dbraw/zinc/66/98/35/764669835.db2.gz XKBWDNRWPPUCBQ-HOTGVXAUSA-N 1 1 347.390 0.925 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2O)nn1 ZINC001047553876 764678117 /nfs/dbraw/zinc/67/81/17/764678117.db2.gz BSSWRGNZOYKMJO-IRXDYDNUSA-N 1 1 341.415 0.781 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)nn1 ZINC001047554511 764682816 /nfs/dbraw/zinc/68/28/16/764682816.db2.gz ZSCNGDQTTNDJLF-BPUTZDHNSA-N 1 1 349.435 0.008 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(OC)nn1 ZINC001089886016 764697507 /nfs/dbraw/zinc/69/75/07/764697507.db2.gz LNOKANCAVCSTGQ-AYDFFVQHSA-N 1 1 326.400 0.901 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001047565561 764706641 /nfs/dbraw/zinc/70/66/41/764706641.db2.gz KVOWTRLDHJQEJZ-GJZGRUSLSA-N 1 1 341.415 0.715 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)CC1 ZINC001107030795 764741861 /nfs/dbraw/zinc/74/18/61/764741861.db2.gz XAPJUDXRXVZNCA-NVXWUHKLSA-N 1 1 348.491 0.104 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scc3c2OCCO3)C1 ZINC001047585397 764781773 /nfs/dbraw/zinc/78/17/73/764781773.db2.gz VPMHUCRSYVBVMN-RYUDHWBXSA-N 1 1 336.413 0.660 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scc3c2OCCO3)C1 ZINC001047585397 764781777 /nfs/dbraw/zinc/78/17/77/764781777.db2.gz VPMHUCRSYVBVMN-RYUDHWBXSA-N 1 1 336.413 0.660 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001047590735 764800982 /nfs/dbraw/zinc/80/09/82/764800982.db2.gz HMQAOSCJLNYXEZ-HOTGVXAUSA-N 1 1 343.431 0.217 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2csc(COC)n2)C1 ZINC001047591076 764802904 /nfs/dbraw/zinc/80/29/04/764802904.db2.gz PONDFCKBIVKEHM-KBPBESRZSA-N 1 1 337.445 0.359 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)cc1F ZINC001015504940 764822102 /nfs/dbraw/zinc/82/21/02/764822102.db2.gz SAKQIOHUHJEZES-KGLIPLIRSA-N 1 1 330.363 0.524 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)cc1F ZINC001015504940 764822113 /nfs/dbraw/zinc/82/21/13/764822113.db2.gz SAKQIOHUHJEZES-KGLIPLIRSA-N 1 1 330.363 0.524 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001052608300 764841972 /nfs/dbraw/zinc/84/19/72/764841972.db2.gz HPFOSOJPTVWBIF-CYBMUJFWSA-N 1 1 344.423 0.854 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001052609753 764842993 /nfs/dbraw/zinc/84/29/93/764842993.db2.gz ZWZRCLSQLOCCED-CYBMUJFWSA-N 1 1 342.407 0.301 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001047601619 764845674 /nfs/dbraw/zinc/84/56/74/764845674.db2.gz DCVFNYYHHIYXCS-OKZBNKHCSA-N 1 1 328.412 0.827 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001047601619 764845680 /nfs/dbraw/zinc/84/56/80/764845680.db2.gz DCVFNYYHHIYXCS-OKZBNKHCSA-N 1 1 328.412 0.827 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cnsn2)C1 ZINC000991946558 764866931 /nfs/dbraw/zinc/86/69/31/764866931.db2.gz GYMXLXDTJVTWHM-YIZWMMSDSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cnsn2)C1 ZINC000991946558 764866942 /nfs/dbraw/zinc/86/69/42/764866942.db2.gz GYMXLXDTJVTWHM-YIZWMMSDSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)cccc2OC)C1 ZINC001047609333 764869544 /nfs/dbraw/zinc/86/95/44/764869544.db2.gz MLMNTFIGTNRDHN-KBPBESRZSA-N 1 1 332.400 0.844 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3oc2=O)C1 ZINC001047617102 764894476 /nfs/dbraw/zinc/89/44/76/764894476.db2.gz ZTGXQNUYCJAFCP-HOTGVXAUSA-N 1 1 340.379 0.933 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)CC1 ZINC001052659995 764951360 /nfs/dbraw/zinc/95/13/60/764951360.db2.gz SFTPDNBMYYKHLX-GJZGRUSLSA-N 1 1 329.448 0.914 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCS(C)(=O)=O)CC1 ZINC001052721466 765042572 /nfs/dbraw/zinc/04/25/72/765042572.db2.gz DERNJZVCIRGHQB-KFWWJZLASA-N 1 1 344.477 0.593 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCS(C)(=O)=O)CC1 ZINC001052721466 765042576 /nfs/dbraw/zinc/04/25/76/765042576.db2.gz DERNJZVCIRGHQB-KFWWJZLASA-N 1 1 344.477 0.593 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)CC2)nn1 ZINC001052774694 765096805 /nfs/dbraw/zinc/09/68/05/765096805.db2.gz HBCADIPBOTYWPE-ZIAGYGMSSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CC3=CCOCC3)C2)C1=O ZINC001015660577 765135865 /nfs/dbraw/zinc/13/58/65/765135865.db2.gz FBEBXMSBMRWTKE-HOTGVXAUSA-N 1 1 333.432 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC3=CCOCC3)C2)C1=O ZINC001015660577 765135869 /nfs/dbraw/zinc/13/58/69/765135869.db2.gz FBEBXMSBMRWTKE-HOTGVXAUSA-N 1 1 333.432 0.701 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)s1 ZINC001015697430 765181869 /nfs/dbraw/zinc/18/18/69/765181869.db2.gz SYXTXIQPGRFKKJ-LEWSCRJBSA-N 1 1 348.428 0.343 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)s1 ZINC001015697430 765181878 /nfs/dbraw/zinc/18/18/78/765181878.db2.gz SYXTXIQPGRFKKJ-LEWSCRJBSA-N 1 1 348.428 0.343 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001052864301 765248330 /nfs/dbraw/zinc/24/83/30/765248330.db2.gz FRMQQHNFLNBNDB-LBPRGKRZSA-N 1 1 330.392 0.578 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001052864164 765248675 /nfs/dbraw/zinc/24/86/75/765248675.db2.gz BECASBVROLMAIQ-LBPRGKRZSA-N 1 1 328.376 0.025 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C)nn3CC)C2)C1=O ZINC001015744626 765261318 /nfs/dbraw/zinc/26/13/18/765261318.db2.gz JAWOICWABWKMDH-HUUCEWRRSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C)nn3CC)C2)C1=O ZINC001015744626 765261325 /nfs/dbraw/zinc/26/13/25/765261325.db2.gz JAWOICWABWKMDH-HUUCEWRRSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)C1=O ZINC001015745425 765263634 /nfs/dbraw/zinc/26/36/34/765263634.db2.gz YJRUYELSSJYYFN-XJKSGUPXSA-N 1 1 343.431 0.878 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)C1=O ZINC001015745425 765263636 /nfs/dbraw/zinc/26/36/36/765263636.db2.gz YJRUYELSSJYYFN-XJKSGUPXSA-N 1 1 343.431 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)CC2)cn1 ZINC001052878732 765286622 /nfs/dbraw/zinc/28/66/22/765286622.db2.gz JNYVFSBZXFSDFZ-KRWDZBQOSA-N 1 1 338.415 0.939 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3nc(C)n(-c4nc[nH]n4)n3)CCC[C@@H]12 ZINC000992071100 765364290 /nfs/dbraw/zinc/36/42/90/765364290.db2.gz LTBVWEASWJICSA-MLGOLLRUSA-N 1 1 340.391 0.054 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)nn1 ZINC001015810145 765367002 /nfs/dbraw/zinc/36/70/02/765367002.db2.gz BBBMONOUAUTTPT-CQSZACIVSA-N 1 1 346.435 0.281 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015815888 765378622 /nfs/dbraw/zinc/37/86/22/765378622.db2.gz DNQGBOLTEYIOIB-VYDXJSESSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015815888 765378632 /nfs/dbraw/zinc/37/86/32/765378632.db2.gz DNQGBOLTEYIOIB-VYDXJSESSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001052946569 765402193 /nfs/dbraw/zinc/40/21/93/765402193.db2.gz VYWMMSZIHOPUIH-KGLIPLIRSA-N 1 1 329.466 0.615 20 30 ECEDMO CN(CCOCCNc1cncc(C#N)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001127232776 765462355 /nfs/dbraw/zinc/46/23/55/765462355.db2.gz JEAHKDIOHFMHCV-CQSZACIVSA-N 1 1 332.408 0.329 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nnn(C)c4C3)CCC[C@H]12 ZINC000992128831 765585092 /nfs/dbraw/zinc/58/50/92/765585092.db2.gz YHGNUANGKQUCSO-QANKJYHBSA-N 1 1 327.432 0.666 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001016025840 765729857 /nfs/dbraw/zinc/72/98/57/765729857.db2.gz BPOPJDLBRHDGJB-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001016025840 765729862 /nfs/dbraw/zinc/72/98/62/765729862.db2.gz BPOPJDLBRHDGJB-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)[C@H]2CCOC2)C1 ZINC000992165838 765730931 /nfs/dbraw/zinc/73/09/31/765730931.db2.gz SIFHWPMDKHWZPC-GRAKBVBRSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)[C@H]2CCOC2)C1 ZINC000992165838 765730934 /nfs/dbraw/zinc/73/09/34/765730934.db2.gz SIFHWPMDKHWZPC-GRAKBVBRSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3c4n(c(=O)n3C)CCCC4)CCC[C@H]12 ZINC000992171981 765759054 /nfs/dbraw/zinc/75/90/54/765759054.db2.gz ZPYBGKBAWQOBBQ-HNAYVOBHSA-N 1 1 342.443 0.883 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@H]12 ZINC000992172274 765767858 /nfs/dbraw/zinc/76/78/58/765767858.db2.gz OCTYPENUNKBXGK-DRMAHVMPSA-N 1 1 347.459 0.759 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@@H](C)C(=O)NC)CC3)c1 ZINC000992182867 765797499 /nfs/dbraw/zinc/79/74/99/765797499.db2.gz YRAGJBBTXVMJHX-AXHNFQJDSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(C)c3OC)C2)C1=O ZINC001016120552 765809737 /nfs/dbraw/zinc/80/97/37/765809737.db2.gz RGXXFBZBEYJPRZ-TZMCWYRMSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(C)c3OC)C2)C1=O ZINC001016120552 765809745 /nfs/dbraw/zinc/80/97/45/765809745.db2.gz RGXXFBZBEYJPRZ-TZMCWYRMSA-N 1 1 347.419 0.020 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccn(C)n2)C1 ZINC000992206124 765890024 /nfs/dbraw/zinc/89/00/24/765890024.db2.gz HTPNSVQXWUSOAA-XUJLQICISA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccn(C)n2)C1 ZINC000992206124 765890026 /nfs/dbraw/zinc/89/00/26/765890026.db2.gz HTPNSVQXWUSOAA-XUJLQICISA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cccnn2)C1 ZINC000992209397 765911337 /nfs/dbraw/zinc/91/13/37/765911337.db2.gz WSPJICIMSGCJMH-XUJLQICISA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cccnn2)C1 ZINC000992209397 765911341 /nfs/dbraw/zinc/91/13/41/765911341.db2.gz WSPJICIMSGCJMH-XUJLQICISA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CC(N(C)C(=O)c3ccn[nH]3)C2)CC1 ZINC001016277783 766026297 /nfs/dbraw/zinc/02/62/97/766026297.db2.gz LWOAOWWVKAZYPM-UHFFFAOYSA-N 1 1 343.431 0.474 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCNC(=O)CC1)CCO2 ZINC001053358163 766028232 /nfs/dbraw/zinc/02/82/32/766028232.db2.gz IVDHIRFUZFBPPU-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)[nH]1 ZINC001007102774 766101833 /nfs/dbraw/zinc/10/18/33/766101833.db2.gz VNLDUKWCOCAKGW-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)[nH]1 ZINC001007102774 766101840 /nfs/dbraw/zinc/10/18/40/766101840.db2.gz VNLDUKWCOCAKGW-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001016325837 766116580 /nfs/dbraw/zinc/11/65/80/766116580.db2.gz NILWCWDNSZIYKL-PIMMBPRGSA-N 1 1 329.404 0.700 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CCO2 ZINC001053429084 766117381 /nfs/dbraw/zinc/11/73/81/766117381.db2.gz DYNCILLZNJJKHA-OAHLLOKOSA-N 1 1 328.416 0.300 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001016330159 766128139 /nfs/dbraw/zinc/12/81/39/766128139.db2.gz MEQJGTROVIMDKA-JCYILVPMSA-N 1 1 340.427 0.876 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001017767802 768355519 /nfs/dbraw/zinc/35/55/19/768355519.db2.gz SMEQVDADYJGICU-GASCZTMLSA-N 1 1 339.403 0.922 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001017767802 768355526 /nfs/dbraw/zinc/35/55/26/768355526.db2.gz SMEQVDADYJGICU-GASCZTMLSA-N 1 1 339.403 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCN(C)S3(=O)=O)CCC[C@H]12 ZINC000992312258 766236737 /nfs/dbraw/zinc/23/67/37/766236737.db2.gz PANMKNWFMALFLM-KCQAQPDRSA-N 1 1 327.450 0.320 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H](C)C(N)=O)CC3)nn1 ZINC000992313571 766240017 /nfs/dbraw/zinc/24/00/17/766240017.db2.gz DKWMPTBMOUKDIS-JDFRZJQESA-N 1 1 346.435 0.455 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@@H](C)C(N)=O)CC3)nn1 ZINC000992313571 766240023 /nfs/dbraw/zinc/24/00/23/766240023.db2.gz DKWMPTBMOUKDIS-JDFRZJQESA-N 1 1 346.435 0.455 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001017773092 768360078 /nfs/dbraw/zinc/36/00/78/768360078.db2.gz OWDJNLZZVNCDHG-VVLHAWIVSA-N 1 1 333.432 0.321 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCN(C(C)=O)C1)CCO2 ZINC001053520106 766272714 /nfs/dbraw/zinc/27/27/14/766272714.db2.gz IPXBVVXEQNNWBO-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 ZINC000992324642 766275853 /nfs/dbraw/zinc/27/58/53/766275853.db2.gz CAKUOOGALSHOJE-NHYWBVRUSA-N 1 1 340.811 0.404 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 ZINC000992324642 766275858 /nfs/dbraw/zinc/27/58/58/766275858.db2.gz CAKUOOGALSHOJE-NHYWBVRUSA-N 1 1 340.811 0.404 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001017782198 768365510 /nfs/dbraw/zinc/36/55/10/768365510.db2.gz WASVTRZJQACKKU-BETUJISGSA-N 1 1 332.404 0.990 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001017782198 768365518 /nfs/dbraw/zinc/36/55/18/768365518.db2.gz WASVTRZJQACKKU-BETUJISGSA-N 1 1 332.404 0.990 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)s1 ZINC001016432236 766289866 /nfs/dbraw/zinc/28/98/66/766289866.db2.gz UWEANVVRIPRFPT-WDEREUQCSA-N 1 1 346.412 0.363 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)s1 ZINC001016432236 766289867 /nfs/dbraw/zinc/28/98/67/766289867.db2.gz UWEANVVRIPRFPT-WDEREUQCSA-N 1 1 346.412 0.363 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992337588 766308382 /nfs/dbraw/zinc/30/83/82/766308382.db2.gz QZMSIHNCYSLLIG-CXAGYDPISA-N 1 1 334.420 0.618 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001045773097 766352109 /nfs/dbraw/zinc/35/21/09/766352109.db2.gz WGKQUAJRYFCFTQ-GDBMZVCRSA-N 1 1 349.475 0.620 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045778286 766359698 /nfs/dbraw/zinc/35/96/98/766359698.db2.gz WZRLAOGEEHXEBM-OAHLLOKOSA-N 1 1 335.448 0.374 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001045782275 766362819 /nfs/dbraw/zinc/36/28/19/766362819.db2.gz DIFHXWILCSZVQQ-QGZVFWFLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001045785012 766367936 /nfs/dbraw/zinc/36/79/36/766367936.db2.gz JAQWCCODBHHVPA-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001045784610 766368409 /nfs/dbraw/zinc/36/84/09/766368409.db2.gz DBVQMUNUOGDUSR-UHFFFAOYSA-N 1 1 346.431 0.627 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@H]12 ZINC000992375923 766426948 /nfs/dbraw/zinc/42/69/48/766426948.db2.gz FKNIKTHRTDMTQG-UGSOOPFHSA-N 1 1 346.431 0.453 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc(C)nc1OC)O2 ZINC001053609478 766426895 /nfs/dbraw/zinc/42/68/95/766426895.db2.gz XFGMQJNTJXWTQC-CQSZACIVSA-N 1 1 344.415 0.780 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccn(C)n2)C1 ZINC001016526001 766433576 /nfs/dbraw/zinc/43/35/76/766433576.db2.gz FBYUWVDABCXDPD-XUJLQICISA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ccn(C)n2)C1 ZINC001016526001 766433581 /nfs/dbraw/zinc/43/35/81/766433581.db2.gz FBYUWVDABCXDPD-XUJLQICISA-N 1 1 343.431 0.237 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12 ZINC000992401060 766479357 /nfs/dbraw/zinc/47/93/57/766479357.db2.gz WWSMZMBGCIIJDM-KDOFPFPSSA-N 1 1 348.447 0.960 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000992402380 766489508 /nfs/dbraw/zinc/48/95/08/766489508.db2.gz WYPNRVFTWMAHEQ-BBWFWOEESA-N 1 1 346.475 0.141 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)N1C(=O)CCC1=O)C2 ZINC001045942114 766512201 /nfs/dbraw/zinc/51/22/01/766512201.db2.gz RNYQKXAGCRWUHM-DNVCBOLYSA-N 1 1 345.443 0.862 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@]3(CCN(CC#N)C3)C2)O1 ZINC001045948114 766518723 /nfs/dbraw/zinc/51/87/23/766518723.db2.gz VTRWHXVSUCJNRK-JFIYKMOQSA-N 1 1 334.464 0.934 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@]3(CCN(CC#N)C3)C2)O1 ZINC001045948114 766518724 /nfs/dbraw/zinc/51/87/24/766518724.db2.gz VTRWHXVSUCJNRK-JFIYKMOQSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cn([C@@H]4CCOC4)nn3)CCC[C@H]12 ZINC000992412819 766518806 /nfs/dbraw/zinc/51/88/06/766518806.db2.gz CHHDVAOOQSHTFG-UWWQBHOKSA-N 1 1 343.431 0.990 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cn(C)c(=O)cn1)C2 ZINC001045953929 766524815 /nfs/dbraw/zinc/52/48/15/766524815.db2.gz NDPANTFPPUYFNR-GOSISDBHSA-N 1 1 328.416 0.732 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC000992423138 766533937 /nfs/dbraw/zinc/53/39/37/766533937.db2.gz ILEZYCZAOXWSJW-FJBKBRRZSA-N 1 1 346.431 0.794 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001045966838 766536439 /nfs/dbraw/zinc/53/64/39/766536439.db2.gz HSMRPOKECOVIAI-FCEWJHQRSA-N 1 1 347.459 0.747 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@H]12 ZINC000992423580 766540242 /nfs/dbraw/zinc/54/02/42/766540242.db2.gz GFGMKJZPNWONLL-SUMWQHHRSA-N 1 1 334.420 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001045974696 766545278 /nfs/dbraw/zinc/54/52/78/766545278.db2.gz JREIJQLNAZKKPQ-GOSISDBHSA-N 1 1 346.431 0.266 20 30 ECEDMO N#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001045974748 766545516 /nfs/dbraw/zinc/54/55/16/766545516.db2.gz KSJWLHQVSSFUKJ-GOSISDBHSA-N 1 1 334.464 0.937 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC(=O)NC1=O)C2 ZINC001045979013 766550566 /nfs/dbraw/zinc/55/05/66/766550566.db2.gz MVZLGYNQHGORMA-SFHVURJKSA-N 1 1 346.431 0.266 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001045981954 766551318 /nfs/dbraw/zinc/55/13/18/766551318.db2.gz KDXNFJVYENXUMF-PKOBYXMFSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1C(=O)CCC1=O)C2 ZINC001045983406 766554525 /nfs/dbraw/zinc/55/45/25/766554525.db2.gz MKIRZWGJUXUTPB-LJQANCHMSA-N 1 1 345.443 0.863 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001045983331 766554660 /nfs/dbraw/zinc/55/46/60/766554660.db2.gz MNVIKYVUZZSMEM-KBXCAEBGSA-N 1 1 346.431 0.312 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cn(CC(N)=O)nn1)C2 ZINC001045986278 766557437 /nfs/dbraw/zinc/55/74/37/766557437.db2.gz MYBOBYUHEAAARD-QGZVFWFLSA-N 1 1 346.435 0.268 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3n[nH]cc3C1)O2 ZINC001053686185 766585955 /nfs/dbraw/zinc/58/59/55/766585955.db2.gz JGKIEHATEYGADV-GOEBONIOSA-N 1 1 342.443 0.888 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC3(C[NH+](C[C@@H](C)O)C3)O2)nc1 ZINC001053691010 766597697 /nfs/dbraw/zinc/59/76/97/766597697.db2.gz QXCFKYARURAWRG-HIFRSBDPSA-N 1 1 329.400 0.407 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](N3CCN(C(=O)C(C)C)CC3)C2)C1=O ZINC001046005607 766613094 /nfs/dbraw/zinc/61/30/94/766613094.db2.gz VMRWRPJBXWMOTJ-SJORKVTESA-N 1 1 348.491 0.648 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)n3cccn3)CC2)C1 ZINC001046006825 766616019 /nfs/dbraw/zinc/61/60/19/766616019.db2.gz VJKTXVMEXRJYAI-SJORKVTESA-N 1 1 329.448 0.686 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3c[nH]nc3C1)O2 ZINC001053700472 766619540 /nfs/dbraw/zinc/61/95/40/766619540.db2.gz VXJZKSRBPAXGJP-HOCLYGCPSA-N 1 1 342.443 0.888 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@H]12 ZINC000992461608 766629297 /nfs/dbraw/zinc/62/92/97/766629297.db2.gz YECSZBSQTFPITH-YJBOKZPZSA-N 1 1 347.463 0.970 20 30 ECEDMO Cc1ncc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046011540 766635484 /nfs/dbraw/zinc/63/54/84/766635484.db2.gz DOXGDEHRLCHFCH-UKRRQHHQSA-N 1 1 331.420 0.861 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC000992463086 766640004 /nfs/dbraw/zinc/64/00/04/766640004.db2.gz OTLCBPWPJBCNML-QFBILLFUSA-N 1 1 325.412 0.809 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC000992463086 766640012 /nfs/dbraw/zinc/64/00/12/766640012.db2.gz OTLCBPWPJBCNML-QFBILLFUSA-N 1 1 325.412 0.809 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnn(C)c3)CC2)C1 ZINC001046012581 766640446 /nfs/dbraw/zinc/64/04/46/766640446.db2.gz QQLLDJNYKGYAKY-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO Cc1cnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046012799 766641031 /nfs/dbraw/zinc/64/10/31/766641031.db2.gz QEKNNKGKEUPYSO-HIFRSBDPSA-N 1 1 331.420 0.861 20 30 ECEDMO Cc1cnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046012799 766641038 /nfs/dbraw/zinc/64/10/38/766641038.db2.gz QEKNNKGKEUPYSO-HIFRSBDPSA-N 1 1 331.420 0.861 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)n(C)n3)CC2)C1 ZINC001046013116 766641534 /nfs/dbraw/zinc/64/15/34/766641534.db2.gz WVYYNTWDFZUBON-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)nn1C ZINC001046013466 766642674 /nfs/dbraw/zinc/64/26/74/766642674.db2.gz YWXKCEBULMHHKI-YOEHRIQHSA-N 1 1 344.463 0.607 20 30 ECEDMO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)nn1C ZINC001046013466 766642678 /nfs/dbraw/zinc/64/26/78/766642678.db2.gz YWXKCEBULMHHKI-YOEHRIQHSA-N 1 1 344.463 0.607 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC001046020057 766661697 /nfs/dbraw/zinc/66/16/97/766661697.db2.gz MHWLXNHVCRLWAT-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc(C)n[nH]3)CC2)C1 ZINC001046020289 766662497 /nfs/dbraw/zinc/66/24/97/766662497.db2.gz TUIGGPQMAUDHSR-QGZVFWFLSA-N 1 1 329.448 0.502 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 ZINC001046020917 766665029 /nfs/dbraw/zinc/66/50/29/766665029.db2.gz YWCGMGACHOIGDV-HZPDHXFCSA-N 1 1 333.432 0.181 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cccnc3)CC2)C1 ZINC001046023864 766673533 /nfs/dbraw/zinc/67/35/33/766673533.db2.gz YIYPVCUCZWULIC-GOSISDBHSA-N 1 1 326.444 0.866 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC001046024027 766675148 /nfs/dbraw/zinc/67/51/48/766675148.db2.gz CCMZXLDLGIBPRO-SFHVURJKSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001046024527 766676394 /nfs/dbraw/zinc/67/63/94/766676394.db2.gz MXTWRMFCROOOIG-HUUCEWRRSA-N 1 1 336.436 0.280 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncccc3O)CC2)C1 ZINC001046024363 766676484 /nfs/dbraw/zinc/67/64/84/766676484.db2.gz KTVKDZIOUDURAI-OAHLLOKOSA-N 1 1 328.416 0.643 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ncccc3O)CC2)C1 ZINC001046024363 766676488 /nfs/dbraw/zinc/67/64/88/766676488.db2.gz KTVKDZIOUDURAI-OAHLLOKOSA-N 1 1 328.416 0.643 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC3OCCCO3)CC2)C1 ZINC001046025407 766678645 /nfs/dbraw/zinc/67/86/45/766678645.db2.gz YGWRJUDRWYXXIN-MRXNPFEDSA-N 1 1 335.448 0.381 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc(C)o3)CC2)C1 ZINC001046025694 766679823 /nfs/dbraw/zinc/67/98/23/766679823.db2.gz JQAUBHLONSZPNB-HNNXBMFYSA-N 1 1 331.420 0.162 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(NC(=O)CN3CCS(=O)(=O)CC3)CCC[C@@H]12 ZINC000992480646 766680126 /nfs/dbraw/zinc/68/01/26/766680126.db2.gz UKTBEAHGVLLIKW-GDBMZVCRSA-N 1 1 341.477 0.016 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CN3CCS(=O)(=O)CC3)CCC[C@@H]12 ZINC000992480646 766680131 /nfs/dbraw/zinc/68/01/31/766680131.db2.gz UKTBEAHGVLLIKW-GDBMZVCRSA-N 1 1 341.477 0.016 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992483125 766683595 /nfs/dbraw/zinc/68/35/95/766683595.db2.gz YZQUBWCZIUXJRH-CXAGYDPISA-N 1 1 332.404 0.789 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001046026779 766684596 /nfs/dbraw/zinc/68/45/96/766684596.db2.gz HTWRYOFTHAQELS-OLZOCXBDSA-N 1 1 342.827 0.066 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001046026779 766684603 /nfs/dbraw/zinc/68/46/03/766684603.db2.gz HTWRYOFTHAQELS-OLZOCXBDSA-N 1 1 342.827 0.066 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000994750439 766685992 /nfs/dbraw/zinc/68/59/92/766685992.db2.gz ILWQSRUTOHAVDN-AWEZNQCLSA-N 1 1 329.404 0.065 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000994750439 766685998 /nfs/dbraw/zinc/68/59/98/766685998.db2.gz ILWQSRUTOHAVDN-AWEZNQCLSA-N 1 1 329.404 0.065 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2nc(CC)oc2C)C1 ZINC000994750789 766686821 /nfs/dbraw/zinc/68/68/21/766686821.db2.gz CPXZMXYUZXOJAH-AWEZNQCLSA-N 1 1 344.415 0.584 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2nc(CC)oc2C)C1 ZINC000994750789 766686824 /nfs/dbraw/zinc/68/68/24/766686824.db2.gz CPXZMXYUZXOJAH-AWEZNQCLSA-N 1 1 344.415 0.584 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)noc2CC)C1 ZINC000994750890 766689845 /nfs/dbraw/zinc/68/98/45/766689845.db2.gz DSFXNXIQEHAVGP-AWEZNQCLSA-N 1 1 344.415 0.584 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)noc2CC)C1 ZINC000994750890 766689850 /nfs/dbraw/zinc/68/98/50/766689850.db2.gz DSFXNXIQEHAVGP-AWEZNQCLSA-N 1 1 344.415 0.584 20 30 ECEDMO O=C(C#CC1CC1)N1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001046029000 766692607 /nfs/dbraw/zinc/69/26/07/766692607.db2.gz KKRUEBPQJNXOCG-ZWKOTPCHSA-N 1 1 331.460 0.655 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC001046030707 766698505 /nfs/dbraw/zinc/69/85/05/766698505.db2.gz ZDCCHQQTLHZSKM-OAHLLOKOSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cn2cccn2)C1 ZINC001016670683 766700236 /nfs/dbraw/zinc/70/02/36/766700236.db2.gz SXDLWGNWOFUFEK-GPANFISMSA-N 1 1 343.431 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cn2cccn2)C1 ZINC001016670683 766700241 /nfs/dbraw/zinc/70/02/41/766700241.db2.gz SXDLWGNWOFUFEK-GPANFISMSA-N 1 1 343.431 0.086 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=C(C)OCCC2)C1 ZINC000994752633 766703407 /nfs/dbraw/zinc/70/34/07/766703407.db2.gz TVFTYVAVJHOMIK-INIZCTEOSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=C(C)OCCC2)C1 ZINC000994752633 766703413 /nfs/dbraw/zinc/70/34/13/766703413.db2.gz TVFTYVAVJHOMIK-INIZCTEOSA-N 1 1 331.416 0.495 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CC)n[nH]2)C1 ZINC000994752754 766704560 /nfs/dbraw/zinc/70/45/60/766704560.db2.gz VCDLSNSCRGKTPM-HNNXBMFYSA-N 1 1 329.404 0.010 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CC)n[nH]2)C1 ZINC000994752754 766704564 /nfs/dbraw/zinc/70/45/64/766704564.db2.gz VCDLSNSCRGKTPM-HNNXBMFYSA-N 1 1 329.404 0.010 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)COc2ccccc2)C1 ZINC000994754224 766705904 /nfs/dbraw/zinc/70/59/04/766705904.db2.gz KDAHJFNATQLNNS-KRWDZBQOSA-N 1 1 341.411 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)COc2ccccc2)C1 ZINC000994754224 766705908 /nfs/dbraw/zinc/70/59/08/766705908.db2.gz KDAHJFNATQLNNS-KRWDZBQOSA-N 1 1 341.411 0.490 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2nc(C)oc2C)C1 ZINC000994753315 766709908 /nfs/dbraw/zinc/70/99/08/766709908.db2.gz YODWTUTWUNZPDN-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2nc(C)oc2C)C1 ZINC000994753315 766709912 /nfs/dbraw/zinc/70/99/12/766709912.db2.gz YODWTUTWUNZPDN-AWEZNQCLSA-N 1 1 330.388 0.330 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C(C)(C)C)nn3)CC2)C1 ZINC001046035832 766722955 /nfs/dbraw/zinc/72/29/55/766722955.db2.gz UQIYMBRJYGELDB-OAHLLOKOSA-N 1 1 344.463 0.498 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN([C@@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001046035965 766724179 /nfs/dbraw/zinc/72/41/79/766724179.db2.gz XOZYQGLYJFMPNF-DLBZAZTESA-N 1 1 346.475 0.887 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046037481 766733819 /nfs/dbraw/zinc/73/38/19/766733819.db2.gz QFFIDQSTFAGWRP-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 ZINC001046037570 766734297 /nfs/dbraw/zinc/73/42/97/766734297.db2.gz SSRKJPBBECZZHO-DLBZAZTESA-N 1 1 348.491 0.697 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nncn4C3)CCC[C@H]12 ZINC000992505693 766740357 /nfs/dbraw/zinc/74/03/57/766740357.db2.gz HUJPNLUFZOLKKT-RVKKMQEKSA-N 1 1 327.432 0.977 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001046039113 766740687 /nfs/dbraw/zinc/74/06/87/766740687.db2.gz SBEFOFYFYMLBHV-IXDOHACOSA-N 1 1 336.480 0.110 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)C1 ZINC001046039020 766740940 /nfs/dbraw/zinc/74/09/40/766740940.db2.gz MKQMAXSSNMNYNP-IRXDYDNUSA-N 1 1 343.475 0.850 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OCC)n[nH]3)CC2)C1 ZINC001046039828 766744042 /nfs/dbraw/zinc/74/40/42/766744042.db2.gz YYPBSSJRXYKLQD-CQSZACIVSA-N 1 1 333.436 0.827 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CN(C)C)on3)CC2)C1 ZINC001046040218 766745607 /nfs/dbraw/zinc/74/56/07/766745607.db2.gz HCOXUHZLWKWIJQ-OAHLLOKOSA-N 1 1 347.463 0.754 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC001046040268 766746754 /nfs/dbraw/zinc/74/67/54/766746754.db2.gz ANGCUSKUODOOJA-QGZVFWFLSA-N 1 1 342.443 0.241 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc(OC)c3)CC2)C1 ZINC001046040650 766748028 /nfs/dbraw/zinc/74/80/28/766748028.db2.gz GJRCLIQOTBMTOW-KRWDZBQOSA-N 1 1 342.443 0.946 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3coc(OCC)n3)CC2)C1 ZINC001046041445 766752389 /nfs/dbraw/zinc/75/23/89/766752389.db2.gz JOWQVHWAORWRQE-HNNXBMFYSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC001046041879 766753972 /nfs/dbraw/zinc/75/39/72/766753972.db2.gz UOFYLCTYOYENMD-IAGOWNOFSA-N 1 1 341.459 0.297 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)c(=O)cn3)CC2)C1 ZINC001046045258 766769964 /nfs/dbraw/zinc/76/99/64/766769964.db2.gz FSWYXAMXOWWGBV-HNNXBMFYSA-N 1 1 345.447 0.189 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC001046046685 766774497 /nfs/dbraw/zinc/77/44/97/766774497.db2.gz GGWLWIRLRLNQHZ-QAPCUYQASA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1 ZINC001046046303 766775195 /nfs/dbraw/zinc/77/51/95/766775195.db2.gz BQJHCIPIALOJTB-KURKYZTESA-N 1 1 331.460 0.653 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC001046048085 766780036 /nfs/dbraw/zinc/78/00/36/766780036.db2.gz PJPSYJGODDXYPR-KRWDZBQOSA-N 1 1 346.479 0.635 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)ccn3)CC2)C1 ZINC001046050870 766789298 /nfs/dbraw/zinc/78/92/98/766789298.db2.gz RXCDEFLYKOKYBL-INIZCTEOSA-N 1 1 342.443 0.946 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 ZINC001046051448 766791759 /nfs/dbraw/zinc/79/17/59/766791759.db2.gz HIXBIANUDFFSLR-HOTGVXAUSA-N 1 1 349.479 0.195 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001046056903 766812867 /nfs/dbraw/zinc/81/28/67/766812867.db2.gz YWOCPUDWXDKHCU-CAOSSQGBSA-N 1 1 339.867 0.850 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001046056903 766812872 /nfs/dbraw/zinc/81/28/72/766812872.db2.gz YWOCPUDWXDKHCU-CAOSSQGBSA-N 1 1 339.867 0.850 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC001046060935 766827561 /nfs/dbraw/zinc/82/75/61/766827561.db2.gz GAJHHVRVCZAZJF-INIZCTEOSA-N 1 1 344.459 0.794 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001042000552 782580522 /nfs/dbraw/zinc/58/05/22/782580522.db2.gz NPTIVWRIKPEQNJ-CZUORRHYSA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001042000552 782580535 /nfs/dbraw/zinc/58/05/35/782580535.db2.gz NPTIVWRIKPEQNJ-CZUORRHYSA-N 1 1 339.403 0.751 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3[nH]c(C)nc3C)CC2)C1 ZINC001046062220 766834422 /nfs/dbraw/zinc/83/44/22/766834422.db2.gz CUDNTUSXCQEKPK-MRXNPFEDSA-N 1 1 329.448 0.882 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 ZINC001046062934 766835493 /nfs/dbraw/zinc/83/54/93/766835493.db2.gz XKGLZVOFSYWHHV-QAPCUYQASA-N 1 1 334.464 0.450 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001046062692 766836157 /nfs/dbraw/zinc/83/61/57/766836157.db2.gz IHYYZOZAXBWICX-OAGGEKHMSA-N 1 1 325.428 0.766 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046063027 766836213 /nfs/dbraw/zinc/83/62/13/766836213.db2.gz KJSPZTDRBDAFND-MJBXVCDLSA-N 1 1 340.855 0.079 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046063027 766836224 /nfs/dbraw/zinc/83/62/24/766836224.db2.gz KJSPZTDRBDAFND-MJBXVCDLSA-N 1 1 340.855 0.079 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncc(C#C)c3)CC2)C1 ZINC001046062494 766836362 /nfs/dbraw/zinc/83/63/62/766836362.db2.gz VLXDVOCETNNREH-LJQANCHMSA-N 1 1 336.439 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)nn3CC)CC2)C1 ZINC001046064946 766847007 /nfs/dbraw/zinc/84/70/07/766847007.db2.gz BKQCCCIWRUZGEX-INIZCTEOSA-N 1 1 329.448 0.677 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC001046068910 766864184 /nfs/dbraw/zinc/86/41/84/766864184.db2.gz WZVHCEYYHHOVTM-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CC)nc3C)CC2)C1 ZINC001046069928 766872662 /nfs/dbraw/zinc/87/26/62/766872662.db2.gz JXYPCSNKSCUZDV-INIZCTEOSA-N 1 1 329.448 0.677 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(C)nc3C)CC2)C1 ZINC001046071347 766878046 /nfs/dbraw/zinc/87/80/46/766878046.db2.gz IATLLAPZWHIGGC-INIZCTEOSA-N 1 1 327.432 0.559 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn(CC)n3)CC2)C1 ZINC001046071549 766879593 /nfs/dbraw/zinc/87/95/93/766879593.db2.gz YNIAIMGJXUJTBE-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3nonc3C)CC2)C1 ZINC001046073389 766886121 /nfs/dbraw/zinc/88/61/21/766886121.db2.gz DKNYJKZHZQTCMM-HNNXBMFYSA-N 1 1 333.436 0.715 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001046073895 766887815 /nfs/dbraw/zinc/88/78/15/766887815.db2.gz NVZKIGNZGVAMJI-AWEZNQCLSA-N 1 1 337.855 0.923 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001046073895 766887825 /nfs/dbraw/zinc/88/78/25/766887825.db2.gz NVZKIGNZGVAMJI-AWEZNQCLSA-N 1 1 337.855 0.923 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCn3cnccc3=O)CC2)C1 ZINC001046075364 766895706 /nfs/dbraw/zinc/89/57/06/766895706.db2.gz RIZUNSKTRIOMFI-INIZCTEOSA-N 1 1 345.447 0.038 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3coc(COC)n3)CC2)C1 ZINC001046075515 766898080 /nfs/dbraw/zinc/89/80/80/766898080.db2.gz VKKUGTFSCHAORG-CQSZACIVSA-N 1 1 334.420 0.839 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)CO2 ZINC001053807334 766899390 /nfs/dbraw/zinc/89/93/90/766899390.db2.gz HRUAGTGNTLSMDW-CYBMUJFWSA-N 1 1 348.451 0.967 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC001046076268 766902198 /nfs/dbraw/zinc/90/21/98/766902198.db2.gz DITFGLVYLRKXOC-PKOBYXMFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC001046077285 766906587 /nfs/dbraw/zinc/90/65/87/766906587.db2.gz VCLMIBVQYGRQQH-DOTOQJQBSA-N 1 1 341.459 0.366 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC001046079355 766913306 /nfs/dbraw/zinc/91/33/06/766913306.db2.gz UFFWIPYQVXSFKU-AWEZNQCLSA-N 1 1 331.420 0.503 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC001046080051 766915344 /nfs/dbraw/zinc/91/53/44/766915344.db2.gz KJGOOBWIZVOQDA-HNNXBMFYSA-N 1 1 340.431 0.518 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C(N)=O)ccn3)CCC[C@H]12 ZINC000992573426 766918390 /nfs/dbraw/zinc/91/83/90/766918390.db2.gz NDROYQZGSOLORK-YJBOKZPZSA-N 1 1 326.400 0.931 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC001046081624 766919381 /nfs/dbraw/zinc/91/93/81/766919381.db2.gz NBERVUYUAAISDF-CQSZACIVSA-N 1 1 333.436 0.447 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cnn(C)c3)CC2)C1 ZINC001046085604 766927929 /nfs/dbraw/zinc/92/79/29/766927929.db2.gz HCTJTGAHJJOSPS-KRWDZBQOSA-N 1 1 331.464 0.757 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)N3CCCC3=O)CC2)C1 ZINC001046086006 766928278 /nfs/dbraw/zinc/92/82/78/766928278.db2.gz LTZWXWIUJGKYFE-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001046123583 766953765 /nfs/dbraw/zinc/95/37/65/766953765.db2.gz FHXQUPIJGJQBDY-MAUKXSAKSA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001046123583 766953770 /nfs/dbraw/zinc/95/37/70/766953770.db2.gz FHXQUPIJGJQBDY-MAUKXSAKSA-N 1 1 344.415 0.301 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3n(n1)CCO3)CO2 ZINC001053830825 766964643 /nfs/dbraw/zinc/96/46/43/766964643.db2.gz MXQOCYOVHYUNKM-ZDUSSCGKSA-N 1 1 332.404 0.815 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC001016811123 766968175 /nfs/dbraw/zinc/96/81/75/766968175.db2.gz PCHXQDPDCLANEQ-FHERZECASA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001089671021 766977920 /nfs/dbraw/zinc/97/79/20/766977920.db2.gz DBXJWQQKPPKZNK-ZFWWWQNUSA-N 1 1 343.431 0.606 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nccn2CC)C1 ZINC001031740659 766985531 /nfs/dbraw/zinc/98/55/31/766985531.db2.gz HVLLVQVBRAAHPF-INIZCTEOSA-N 1 1 329.448 0.549 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nccn2CC)C1 ZINC001031740659 766985537 /nfs/dbraw/zinc/98/55/37/766985537.db2.gz HVLLVQVBRAAHPF-INIZCTEOSA-N 1 1 329.448 0.549 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001046157198 766988906 /nfs/dbraw/zinc/98/89/06/766988906.db2.gz VMBJKUFAOOHTHZ-QAPCUYQASA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC001046157198 766988916 /nfs/dbraw/zinc/98/89/16/766988916.db2.gz VMBJKUFAOOHTHZ-QAPCUYQASA-N 1 1 345.447 0.953 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@@H]2O)c1 ZINC001083765233 766994510 /nfs/dbraw/zinc/99/45/10/766994510.db2.gz URPXKRKOLPSOTF-SYNTWQANSA-N 1 1 343.427 0.653 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@@H]2O)c1 ZINC001083764980 766998704 /nfs/dbraw/zinc/99/87/04/766998704.db2.gz HMNSIJRXJSMLIN-SQNIBIBYSA-N 1 1 343.427 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nc(CC)no2)C1 ZINC001031742949 767005728 /nfs/dbraw/zinc/00/57/28/767005728.db2.gz YHLNLPSFSUNPRT-HIFRSBDPSA-N 1 1 345.447 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2nc(CC)no2)C1 ZINC001031742949 767005738 /nfs/dbraw/zinc/00/57/38/767005738.db2.gz YHLNLPSFSUNPRT-HIFRSBDPSA-N 1 1 345.447 0.839 20 30 ECEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)[C@H](OC)C1 ZINC001212272498 767007815 /nfs/dbraw/zinc/00/78/15/767007815.db2.gz SHZBMWIXUCYILC-RBSFLKMASA-N 1 1 340.468 0.995 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnsn3)C2)C1=O ZINC001046170011 767010540 /nfs/dbraw/zinc/01/05/40/767010540.db2.gz XSUGICABYSKKFI-IUODEOHRSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnsn3)C2)C1=O ZINC001046170011 767010549 /nfs/dbraw/zinc/01/05/49/767010549.db2.gz XSUGICABYSKKFI-IUODEOHRSA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC(C(N)=O)CC1)CO2 ZINC001053851252 767018481 /nfs/dbraw/zinc/01/84/81/767018481.db2.gz OOIOEPXPBNILQI-YMAMQOFZSA-N 1 1 335.448 0.814 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC(C(N)=O)CC1)CO2 ZINC001053851251 767018663 /nfs/dbraw/zinc/01/86/63/767018663.db2.gz OOIOEPXPBNILQI-NRXISQOPSA-N 1 1 335.448 0.814 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046196558 767046473 /nfs/dbraw/zinc/04/64/73/767046473.db2.gz DTGVZKWFQIDBQL-CJNGLKHVSA-N 1 1 332.429 0.979 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046196558 767046482 /nfs/dbraw/zinc/04/64/82/767046482.db2.gz DTGVZKWFQIDBQL-CJNGLKHVSA-N 1 1 332.429 0.979 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001016859071 767047963 /nfs/dbraw/zinc/04/79/63/767047963.db2.gz KKRHYADMIANBBU-HUUCEWRRSA-N 1 1 338.473 0.805 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046220477 767087035 /nfs/dbraw/zinc/08/70/35/767087035.db2.gz KHXNQJRVVAGQPE-PIGZYNQJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046220477 767087042 /nfs/dbraw/zinc/08/70/42/767087042.db2.gz KHXNQJRVVAGQPE-PIGZYNQJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001046220068 767087607 /nfs/dbraw/zinc/08/76/07/767087607.db2.gz HGZPWKXZGFROGD-WMLDXEAASA-N 1 1 342.403 0.338 20 30 ECEDMO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046221576 767089396 /nfs/dbraw/zinc/08/93/96/767089396.db2.gz SESWEQZPFLEZNB-QGZVFWFLSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC3(C[C@@H]3NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001016883464 767093338 /nfs/dbraw/zinc/09/33/38/767093338.db2.gz CEPKAIMUNBLCIZ-OLZOCXBDSA-N 1 1 344.419 0.176 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC3(C[C@@H]3NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001016883464 767093347 /nfs/dbraw/zinc/09/33/47/767093347.db2.gz CEPKAIMUNBLCIZ-OLZOCXBDSA-N 1 1 344.419 0.176 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001046230443 767097999 /nfs/dbraw/zinc/09/79/99/767097999.db2.gz ICKNIIFZCDVGTQ-RDTXWAMCSA-N 1 1 344.415 0.768 20 30 ECEDMO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001046240215 767104312 /nfs/dbraw/zinc/10/43/12/767104312.db2.gz QCKIJVFXIWHCEQ-RHSMWYFYSA-N 1 1 342.403 0.338 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)N2CCCCC2=O)[C@H](OC)C1 ZINC001212279787 767108537 /nfs/dbraw/zinc/10/85/37/767108537.db2.gz VCVQCZHLKLKLEZ-ARFHVFGLSA-N 1 1 335.448 0.616 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)N2CCCCC2=O)[C@H](OC)C1 ZINC001212279787 767108538 /nfs/dbraw/zinc/10/85/38/767108538.db2.gz VCVQCZHLKLKLEZ-ARFHVFGLSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nc2ncccn2n1 ZINC001089711924 767110080 /nfs/dbraw/zinc/11/00/80/767110080.db2.gz GMPRZYGSCXVFMR-CYBMUJFWSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nc2ncccn2n1 ZINC001089711924 767110081 /nfs/dbraw/zinc/11/00/81/767110081.db2.gz GMPRZYGSCXVFMR-CYBMUJFWSA-N 1 1 326.404 0.978 20 30 ECEDMO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001046253242 767110846 /nfs/dbraw/zinc/11/08/46/767110846.db2.gz SQCODVVAQBMSGT-SCLBCKFNSA-N 1 1 343.431 0.997 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253219 767110897 /nfs/dbraw/zinc/11/08/97/767110897.db2.gz SGMBOWOUNXOJGV-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253219 767110898 /nfs/dbraw/zinc/11/08/98/767110898.db2.gz SGMBOWOUNXOJGV-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)C3=CCOCC3)C2)C1=O ZINC001046264654 767116868 /nfs/dbraw/zinc/11/68/68/767116868.db2.gz SVWQJYUFZRILPR-YJBOKZPZSA-N 1 1 333.432 0.701 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001089729066 767133250 /nfs/dbraw/zinc/13/32/50/767133250.db2.gz HFCPSEGJIIKTOE-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnnn3CC)C2)C1=O ZINC001046297436 767134119 /nfs/dbraw/zinc/13/41/19/767134119.db2.gz BVSYSAPZEHJFHX-CXAGYDPISA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnnn3CC)C2)C1=O ZINC001046297436 767134120 /nfs/dbraw/zinc/13/41/20/767134120.db2.gz BVSYSAPZEHJFHX-CXAGYDPISA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001046312146 767141412 /nfs/dbraw/zinc/14/14/12/767141412.db2.gz SAARNXBFFAINQG-CXAGYDPISA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001046312146 767141414 /nfs/dbraw/zinc/14/14/14/767141414.db2.gz SAARNXBFFAINQG-CXAGYDPISA-N 1 1 331.420 0.699 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC001127609415 767162995 /nfs/dbraw/zinc/16/29/95/767162995.db2.gz YTUXBAGUSFAIBM-YUTCNCBUSA-N 1 1 334.424 0.756 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001031777212 767187054 /nfs/dbraw/zinc/18/70/54/767187054.db2.gz YRRXJTNOFFLWIH-HZPDHXFCSA-N 1 1 334.464 0.306 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001212316084 767206958 /nfs/dbraw/zinc/20/69/58/767206958.db2.gz HHEUHIUSSOSJRV-IJLUTSLNSA-N 1 1 349.353 0.282 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CN=NC2=O)C1 ZINC001089795682 767220556 /nfs/dbraw/zinc/22/05/56/767220556.db2.gz PPJXKFLSBTWEQD-AJNGGQMLSA-N 1 1 331.420 0.729 20 30 ECEDMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C#CC2CC2)C1)NC1CC1 ZINC001089805242 767233355 /nfs/dbraw/zinc/23/33/55/767233355.db2.gz DNPRAAMBJZHLEB-DKIMLUQUSA-N 1 1 341.455 0.847 20 30 ECEDMO Cn1ncc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)n1 ZINC001089807255 767234418 /nfs/dbraw/zinc/23/44/18/767234418.db2.gz XRZFLOITTFBXOB-RANZSIQMSA-N 1 1 339.443 0.897 20 30 ECEDMO Cn1ncc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)n1 ZINC001089807255 767234419 /nfs/dbraw/zinc/23/44/19/767234419.db2.gz XRZFLOITTFBXOB-RANZSIQMSA-N 1 1 339.443 0.897 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cccc(C)c1=O ZINC001089807338 767234530 /nfs/dbraw/zinc/23/45/30/767234530.db2.gz ZDPVQEBEQGVLAQ-MHORFTMASA-N 1 1 339.439 0.959 20 30 ECEDMO C#CCC1(C(=O)N2CC[C@](O)(CNC(=O)CC[N@H+](C)CC)C2)CCC1 ZINC001040901436 767249000 /nfs/dbraw/zinc/24/90/00/767249000.db2.gz JKLQRMVRKBWPCV-IBGZPJMESA-N 1 1 349.475 0.601 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001046531504 767282471 /nfs/dbraw/zinc/28/24/71/767282471.db2.gz PWHAEINBACMMKQ-HNAYVOBHSA-N 1 1 339.395 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001046531504 767282472 /nfs/dbraw/zinc/28/24/72/767282472.db2.gz PWHAEINBACMMKQ-HNAYVOBHSA-N 1 1 339.395 0.667 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc2n[nH]nc2c1 ZINC001089819485 767306516 /nfs/dbraw/zinc/30/65/16/767306516.db2.gz GZHKCQNFQMYUII-DCDXPUDHSA-N 1 1 336.399 0.769 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1=O ZINC001089820953 767319140 /nfs/dbraw/zinc/31/91/40/767319140.db2.gz PYFMDRHDIDYAGY-NXOAAHMSSA-N 1 1 347.459 0.590 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccncc2C#N)C1 ZINC001046576113 767321353 /nfs/dbraw/zinc/32/13/53/767321353.db2.gz IOWXDFJFHSBEHB-WMHQRMGPSA-N 1 1 327.432 0.880 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001046577562 767323036 /nfs/dbraw/zinc/32/30/36/767323036.db2.gz UILPVSLXNNGPGI-DDHJSBNISA-N 1 1 328.420 0.853 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc[nH]c1=O ZINC001089823005 767339620 /nfs/dbraw/zinc/33/96/20/767339620.db2.gz BSHKENFYOWUMQY-UKMLZYKCSA-N 1 1 326.400 0.988 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn2c(n1)COCC2 ZINC001089826769 767341286 /nfs/dbraw/zinc/34/12/86/767341286.db2.gz KUBMDLPXLMJAFQ-IVSAIRAKSA-N 1 1 340.427 0.829 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 ZINC001106146809 767367274 /nfs/dbraw/zinc/36/72/74/767367274.db2.gz GRHYKVPVFWEOQS-LSDHHAIUSA-N 1 1 346.435 0.420 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001106147119 767368946 /nfs/dbraw/zinc/36/89/46/767368946.db2.gz KNDHCGJJBVMLGF-ZBFHGGJFSA-N 1 1 331.420 0.139 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001106147500 767372002 /nfs/dbraw/zinc/37/20/02/767372002.db2.gz PSAUZGPVFKTUEQ-UONOGXRCSA-N 1 1 332.408 0.112 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNc2ncc(C#N)cc2F)CC[N@H+]1C ZINC001106153008 767386301 /nfs/dbraw/zinc/38/63/01/767386301.db2.gz NKEZFCRSSKOTNV-RAIGVLPGSA-N 1 1 335.383 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(CC)ns1 ZINC001106155285 767394172 /nfs/dbraw/zinc/39/41/72/767394172.db2.gz XRZCLOMOMSBNJT-NEPJUHHUSA-N 1 1 337.449 0.087 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(CC)ns1 ZINC001106155285 767394182 /nfs/dbraw/zinc/39/41/82/767394182.db2.gz XRZCLOMOMSBNJT-NEPJUHHUSA-N 1 1 337.449 0.087 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106157232 767416653 /nfs/dbraw/zinc/41/66/53/767416653.db2.gz BKZUJQRUYZZBBE-JKSUJKDBSA-N 1 1 331.420 0.717 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccnc(OC)n1 ZINC001089836919 767432917 /nfs/dbraw/zinc/43/29/17/767432917.db2.gz WEXZQUXBLHTSKI-NHIYQJMISA-N 1 1 326.400 0.901 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3n[nH]c(=O)n3c1)CO2 ZINC001053956093 767445845 /nfs/dbraw/zinc/44/58/45/767445845.db2.gz ZFFXLZWXKHVGSG-ZDUSSCGKSA-N 1 1 343.387 0.584 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001106170832 767483265 /nfs/dbraw/zinc/48/32/65/767483265.db2.gz XARWCHJVEOSPIM-WBVHZDCISA-N 1 1 345.447 0.385 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ccccc1=O)CO2 ZINC001054004485 767572178 /nfs/dbraw/zinc/57/21/78/767572178.db2.gz ORXLTKMSGYHAFW-HNNXBMFYSA-N 1 1 331.416 0.774 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@H]1CCCNC1=O ZINC001017092349 767574760 /nfs/dbraw/zinc/57/47/60/767574760.db2.gz HWFVJIWMNUCATQ-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@@H]1CCCNC1=O ZINC001017106659 767595444 /nfs/dbraw/zinc/59/54/44/767595444.db2.gz JSRQWVUDHLNFOM-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@@H+](C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@@H]1CCNC1=O ZINC001017109287 767600711 /nfs/dbraw/zinc/60/07/11/767600711.db2.gz IUCDPYTWNOQNES-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nncn3C1)CO2 ZINC001054017361 767608631 /nfs/dbraw/zinc/60/86/31/767608631.db2.gz XSGSNEFMODMCFP-UONOGXRCSA-N 1 1 331.420 0.376 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001054116102 767703640 /nfs/dbraw/zinc/70/36/40/767703640.db2.gz MPYBDWSKECNCHK-SFHVURJKSA-N 1 1 343.431 0.903 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)nn1 ZINC001017222706 767735954 /nfs/dbraw/zinc/73/59/54/767735954.db2.gz BXHBTDHFTOSBDP-HIFRSBDPSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)N1C(=O)CCC1=O)C2 ZINC001054142026 767736312 /nfs/dbraw/zinc/73/63/12/767736312.db2.gz UTWFHFKSABWOGB-HNAYVOBHSA-N 1 1 345.443 0.862 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(=O)n(C)cn1)C2 ZINC001054147398 767742397 /nfs/dbraw/zinc/74/23/97/767742397.db2.gz QFWZRJVBSXOTCB-SFHVURJKSA-N 1 1 328.416 0.732 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2 ZINC001054153781 767748954 /nfs/dbraw/zinc/74/89/54/767748954.db2.gz ZJOUGHYVKQINNB-ZBFHGGJFSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2 ZINC001054153781 767748960 /nfs/dbraw/zinc/74/89/60/767748960.db2.gz ZJOUGHYVKQINNB-ZBFHGGJFSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C(N)=O)cn1C)C2 ZINC001054160378 767757127 /nfs/dbraw/zinc/75/71/27/767757127.db2.gz CULMOCQIHNPPJO-GOSISDBHSA-N 1 1 328.416 0.685 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cnc3c(c1)nnn3C)C2 ZINC001054165575 767763681 /nfs/dbraw/zinc/76/36/81/767763681.db2.gz KPFCFANBQYBJEN-GOSISDBHSA-N 1 1 338.415 0.925 20 30 ECEDMO CC(C)C(=O)N1C[C@H](C)OC2(CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001111533485 767803598 /nfs/dbraw/zinc/80/35/98/767803598.db2.gz JZXNHVKOUTUVJR-AWEZNQCLSA-N 1 1 336.436 0.364 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)S(C)(=O)=O)C2 ZINC001054208350 767804974 /nfs/dbraw/zinc/80/49/74/767804974.db2.gz OVLXINUUSVRWRI-INIZCTEOSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)S(C)(=O)=O)C2 ZINC001054208350 767804981 /nfs/dbraw/zinc/80/49/81/767804981.db2.gz OVLXINUUSVRWRI-INIZCTEOSA-N 1 1 326.462 0.757 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001054215518 767815392 /nfs/dbraw/zinc/81/53/92/767815392.db2.gz XAGDSKSNCRKIAB-SFHVURJKSA-N 1 1 348.447 0.819 20 30 ECEDMO CN(C(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1)C1CC1 ZINC001007133818 767815537 /nfs/dbraw/zinc/81/55/37/767815537.db2.gz IZDHRVWFZSZHTN-CYBMUJFWSA-N 1 1 329.404 0.701 20 30 ECEDMO CN(C(=O)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1)C1CC1 ZINC001007133818 767815545 /nfs/dbraw/zinc/81/55/45/767815545.db2.gz IZDHRVWFZSZHTN-CYBMUJFWSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn([C@H]3CCOC3)nn1)C2 ZINC001054224313 767829002 /nfs/dbraw/zinc/82/90/02/767829002.db2.gz BKAFSZLCFLYROG-YJBOKZPZSA-N 1 1 343.431 0.801 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001054236642 767846489 /nfs/dbraw/zinc/84/64/89/767846489.db2.gz LJZIVVGEBWTAIF-KBXCAEBGSA-N 1 1 348.447 0.865 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001054237485 767847774 /nfs/dbraw/zinc/84/77/74/767847774.db2.gz YFRBGAQYENQLDD-SFHVURJKSA-N 1 1 348.447 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(=O)Nc1cc(C)on1)C2 ZINC001054238722 767848823 /nfs/dbraw/zinc/84/88/23/767848823.db2.gz CYNIRRKALJCCSC-QGZVFWFLSA-N 1 1 330.388 0.869 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N ZINC001054903634 768405569 /nfs/dbraw/zinc/40/55/69/768405569.db2.gz QOSNHZQELMCHQI-PAPYEOQZSA-N 1 1 326.404 0.668 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)C1 ZINC001054935617 768443809 /nfs/dbraw/zinc/44/38/09/768443809.db2.gz RXSCZPANIPWDLR-OHFALNGGSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)C1 ZINC001054935617 768443812 /nfs/dbraw/zinc/44/38/12/768443812.db2.gz RXSCZPANIPWDLR-OHFALNGGSA-N 1 1 341.415 0.510 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001054976849 768492186 /nfs/dbraw/zinc/49/21/86/768492186.db2.gz QCKMSJFFBSFDEQ-QWHCGFSZSA-N 1 1 333.436 0.957 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)C1 ZINC001055034163 768539527 /nfs/dbraw/zinc/53/95/27/768539527.db2.gz FDMGYIJMLYWSOC-CRWXNKLISA-N 1 1 326.404 0.526 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)c[nH]c1CC(N)=O ZINC001017975463 768573178 /nfs/dbraw/zinc/57/31/78/768573178.db2.gz CTYLJKKRHZGLQB-OKILXGFUSA-N 1 1 328.416 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1F ZINC001055239686 768694870 /nfs/dbraw/zinc/69/48/70/768694870.db2.gz IMGKCTJBAOIZHY-QPSCCSFWSA-N 1 1 343.406 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1F ZINC001055239686 768694875 /nfs/dbraw/zinc/69/48/75/768694875.db2.gz IMGKCTJBAOIZHY-QPSCCSFWSA-N 1 1 343.406 0.939 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001055339245 768795915 /nfs/dbraw/zinc/79/59/15/768795915.db2.gz AJHVTQLIWAIFGG-TWMKSMIVSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001055339247 768796034 /nfs/dbraw/zinc/79/60/34/768796034.db2.gz AJHVTQLIWAIFGG-VVLHAWIVSA-N 1 1 347.459 0.426 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)C1 ZINC001055362158 768813865 /nfs/dbraw/zinc/81/38/65/768813865.db2.gz LKOLAJMVXKBQID-YJNKXOJESA-N 1 1 340.431 0.916 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055378496 768833994 /nfs/dbraw/zinc/83/39/94/768833994.db2.gz OFRZPFOQTFLSRP-YESZJQIVSA-N 1 1 349.475 0.838 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C1 ZINC001055379818 768836202 /nfs/dbraw/zinc/83/62/02/768836202.db2.gz TYYVFIVOJJKIJH-HRCADAONSA-N 1 1 337.464 0.836 20 30 ECEDMO C#CCOCCC(=O)NC1CC[NH+](CCNC(=O)C(C)(C)F)CC1 ZINC001055494133 768936523 /nfs/dbraw/zinc/93/65/23/768936523.db2.gz CUTRHGXTMKVOFN-UHFFFAOYSA-N 1 1 341.427 0.471 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)nn1)C2 ZINC001055509350 768973449 /nfs/dbraw/zinc/97/34/49/768973449.db2.gz FBRYEGDRRGDBTI-JOQOYGCGSA-N 1 1 340.431 0.918 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nc2ncccn2n1 ZINC001018265564 768999085 /nfs/dbraw/zinc/99/90/85/768999085.db2.gz ISAZJQBOFLZWEC-OKILXGFUSA-N 1 1 326.404 0.918 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nc2ncccn2n1 ZINC001018265564 768999088 /nfs/dbraw/zinc/99/90/88/768999088.db2.gz ISAZJQBOFLZWEC-OKILXGFUSA-N 1 1 326.404 0.918 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC(C)(C)C1 ZINC001089353723 769010891 /nfs/dbraw/zinc/01/08/91/769010891.db2.gz DTMGQZLXXSQXQE-YPMHNXCESA-N 1 1 331.420 0.981 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1C(C)=O ZINC001018290927 769043816 /nfs/dbraw/zinc/04/38/16/769043816.db2.gz BYSKOSKQCXMDLY-IXDOHACOSA-N 1 1 335.448 0.875 20 30 ECEDMO CC(C)C#CC(=O)NC1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055546074 769081805 /nfs/dbraw/zinc/08/18/05/769081805.db2.gz XBVYROLPFSTMBJ-KRWDZBQOSA-N 1 1 348.491 0.437 20 30 ECEDMO Cc1cc(CC(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)n[nH]1 ZINC001055557697 769109819 /nfs/dbraw/zinc/10/98/19/769109819.db2.gz LQUBTEOBLLTRFU-LBPRGKRZSA-N 1 1 346.435 0.117 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001042078652 782723409 /nfs/dbraw/zinc/72/34/09/782723409.db2.gz XQOXVCLSPVMCOV-KGLIPLIRSA-N 1 1 330.436 0.527 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2cnon2)CC1 ZINC001055573571 769154389 /nfs/dbraw/zinc/15/43/89/769154389.db2.gz ZGSFUVIZOLHXEO-UHFFFAOYSA-N 1 1 333.392 0.039 20 30 ECEDMO C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055573808 769155685 /nfs/dbraw/zinc/15/56/85/769155685.db2.gz IWBLOYKEVSGKPJ-QGZVFWFLSA-N 1 1 346.475 0.191 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001055573808 769155691 /nfs/dbraw/zinc/15/56/91/769155691.db2.gz IWBLOYKEVSGKPJ-QGZVFWFLSA-N 1 1 346.475 0.191 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575130 769161104 /nfs/dbraw/zinc/16/11/04/769161104.db2.gz NYGWOVMYAOSLFP-ZIAGYGMSSA-N 1 1 338.408 0.315 20 30 ECEDMO C=C(C)CCC(=O)NCC[NH+]1CCC(NC(=O)Cc2nnc[nH]2)CC1 ZINC001055585088 769182895 /nfs/dbraw/zinc/18/28/95/769182895.db2.gz ZPEUITYZNJBZPO-UHFFFAOYSA-N 1 1 348.451 0.400 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001055589706 769194871 /nfs/dbraw/zinc/19/48/71/769194871.db2.gz MSBPPFMMBWFKQN-UHFFFAOYSA-N 1 1 338.496 0.990 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001055589706 769194879 /nfs/dbraw/zinc/19/48/79/769194879.db2.gz MSBPPFMMBWFKQN-UHFFFAOYSA-N 1 1 338.496 0.990 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C#CC3CC3)C2)CC1 ZINC001018363051 769200938 /nfs/dbraw/zinc/20/09/38/769200938.db2.gz KOQQXAHLDSRLSS-WBVHZDCISA-N 1 1 347.459 0.163 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2CCC(Nc3ccnc(C#N)n3)CC2)C1 ZINC001060595330 769205068 /nfs/dbraw/zinc/20/50/68/769205068.db2.gz IDHGFNKNEXRLRG-HSBZDZAISA-N 1 1 328.420 0.561 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001018364904 769208593 /nfs/dbraw/zinc/20/85/93/769208593.db2.gz XQLUUQUMHXNOOF-CVEARBPZSA-N 1 1 330.432 0.552 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001018366605 769214018 /nfs/dbraw/zinc/21/40/18/769214018.db2.gz MOWQCXZIWVHAMX-AWEZNQCLSA-N 1 1 343.431 0.903 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)C[C@H]21 ZINC001042084403 782733907 /nfs/dbraw/zinc/73/39/07/782733907.db2.gz RCXVONNKVOYSAU-HUUCEWRRSA-N 1 1 341.477 0.521 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000993538723 769243120 /nfs/dbraw/zinc/24/31/20/769243120.db2.gz BDQDFJJHALFXNB-NWDGAFQWSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000993538723 769243124 /nfs/dbraw/zinc/24/31/24/769243124.db2.gz BDQDFJJHALFXNB-NWDGAFQWSA-N 1 1 339.417 0.533 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)C[C@H]21 ZINC001042082453 782729242 /nfs/dbraw/zinc/72/92/42/782729242.db2.gz GNENMRDUCPRSCW-HUUCEWRRSA-N 1 1 346.431 0.046 20 30 ECEDMO Cc1nc(C(=O)NC2CC[NH+](CCNC(=O)[C@H](C)C#N)CC2)co1 ZINC001055629605 769296803 /nfs/dbraw/zinc/29/68/03/769296803.db2.gz FKPWZNGRQWOMQD-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H]1C ZINC000993584566 769300526 /nfs/dbraw/zinc/30/05/26/769300526.db2.gz AILUKQQZUFEBSW-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001055630955 769301260 /nfs/dbraw/zinc/30/12/60/769301260.db2.gz AVYCNIXRYWODFO-LSDHHAIUSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001055630955 769301270 /nfs/dbraw/zinc/30/12/70/769301270.db2.gz AVYCNIXRYWODFO-LSDHHAIUSA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055632327 769306616 /nfs/dbraw/zinc/30/66/16/769306616.db2.gz SAJNCSQCCAEBBO-CABCVRRESA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055632327 769306626 /nfs/dbraw/zinc/30/66/26/769306626.db2.gz SAJNCSQCCAEBBO-CABCVRRESA-N 1 1 349.479 0.185 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@H]1C ZINC000993557993 769315170 /nfs/dbraw/zinc/31/51/70/769315170.db2.gz VRHRTMCELZMFJB-ZBFHGGJFSA-N 1 1 331.416 0.711 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@H]21 ZINC001042088730 782740555 /nfs/dbraw/zinc/74/05/55/782740555.db2.gz AGPAJTIBKYYQEM-GXTWGEPZSA-N 1 1 339.399 0.844 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1C ZINC000993617525 769370756 /nfs/dbraw/zinc/37/07/56/769370756.db2.gz FFCAMFWRFMYJRU-ZIAGYGMSSA-N 1 1 341.415 0.937 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H]1C ZINC000993670819 769458045 /nfs/dbraw/zinc/45/80/45/769458045.db2.gz LPCQPSPYDLSTRC-UONOGXRCSA-N 1 1 329.404 0.651 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H]1C ZINC000993670804 769458091 /nfs/dbraw/zinc/45/80/91/769458091.db2.gz LPCQPSPYDLSTRC-KBPBESRZSA-N 1 1 329.404 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@@H]1C ZINC000993683144 769474468 /nfs/dbraw/zinc/47/44/68/769474468.db2.gz LJKGWGWXQSNPHZ-GJZGRUSLSA-N 1 1 330.436 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@@H]1C ZINC000993683144 769474475 /nfs/dbraw/zinc/47/44/75/769474475.db2.gz LJKGWGWXQSNPHZ-GJZGRUSLSA-N 1 1 330.436 0.935 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)[C@@H]2C)C1 ZINC000993796365 769630942 /nfs/dbraw/zinc/63/09/42/769630942.db2.gz ZHAPQMVUVHXWHY-ZIAGYGMSSA-N 1 1 348.447 0.864 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]([NH2+]Cc3noc4c3COCC4)C2)c1 ZINC001018682331 769755422 /nfs/dbraw/zinc/75/54/22/769755422.db2.gz OJJHSXZDCOBABQ-LBPRGKRZSA-N 1 1 341.371 0.951 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001018731656 769820100 /nfs/dbraw/zinc/82/01/00/769820100.db2.gz FLDRMHCWFCHBHY-LBPRGKRZSA-N 1 1 328.380 0.287 20 30 ECEDMO CCc1nc(C#N)cc(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001055818277 769835848 /nfs/dbraw/zinc/83/58/48/769835848.db2.gz FWHLNTPJMJCAHM-ZDUSSCGKSA-N 1 1 328.420 0.511 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCOCCNc1ccncc1C#N ZINC001127403701 769838296 /nfs/dbraw/zinc/83/82/96/769838296.db2.gz IQHZGVFHIONDJG-UHFFFAOYSA-N 1 1 347.463 0.992 20 30 ECEDMO O=C(C#CC1CC1)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000993929849 769839986 /nfs/dbraw/zinc/83/99/86/769839986.db2.gz QZIBBKNAKAZEDE-KRWDZBQOSA-N 1 1 345.443 0.370 20 30 ECEDMO C[C@@H](C[C@H](C)Nc1cncc(C#N)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001089356222 769843196 /nfs/dbraw/zinc/84/31/96/769843196.db2.gz VYFHLRAAESWMOU-KBPBESRZSA-N 1 1 346.435 0.766 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001055837027 769918452 /nfs/dbraw/zinc/91/84/52/769918452.db2.gz IXQXLQJWEUDQBN-VQIMIIECSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@@H]21 ZINC001042120156 782804339 /nfs/dbraw/zinc/80/43/39/782804339.db2.gz PHSVWGAJMHLFJH-YPMHNXCESA-N 1 1 339.417 0.649 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 ZINC001042122139 782806225 /nfs/dbraw/zinc/80/62/25/782806225.db2.gz MMEQIIXKRNHJHM-LSDHHAIUSA-N 1 1 333.436 0.471 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC000994217774 770323671 /nfs/dbraw/zinc/32/36/71/770323671.db2.gz XSWWDXYIOZZOOH-OLZOCXBDSA-N 1 1 344.419 0.967 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001055953514 770346979 /nfs/dbraw/zinc/34/69/79/770346979.db2.gz FJBWJTMJLCHVNV-QAPCUYQASA-N 1 1 335.448 0.067 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001056013962 770553590 /nfs/dbraw/zinc/55/35/90/770553590.db2.gz PMRSUBIOASWYNL-SFHVURJKSA-N 1 1 346.431 0.465 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)O1 ZINC001019011768 770564355 /nfs/dbraw/zinc/56/43/55/770564355.db2.gz WVICJCUCDFEFIB-GDBMZVCRSA-N 1 1 345.443 0.180 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)O1 ZINC001019011768 770564359 /nfs/dbraw/zinc/56/43/59/770564359.db2.gz WVICJCUCDFEFIB-GDBMZVCRSA-N 1 1 345.443 0.180 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC000994335036 770633782 /nfs/dbraw/zinc/63/37/82/770633782.db2.gz GHBYQKIUTXGXOS-OLZOCXBDSA-N 1 1 334.420 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@@H]1C ZINC000994335274 770633824 /nfs/dbraw/zinc/63/38/24/770633824.db2.gz GXIMKTRAFFKENS-UONOGXRCSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@@H]1C ZINC000994335274 770633830 /nfs/dbraw/zinc/63/38/30/770633830.db2.gz GXIMKTRAFFKENS-UONOGXRCSA-N 1 1 326.404 0.957 20 30 ECEDMO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1)S(C)(=O)=O ZINC001019047878 770657835 /nfs/dbraw/zinc/65/78/35/770657835.db2.gz NJHYKEXERZMSBM-DOMZBBRYSA-N 1 1 335.429 0.682 20 30 ECEDMO Cc1nnc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCCO2)[nH]1 ZINC001078397694 782867878 /nfs/dbraw/zinc/86/78/78/782867878.db2.gz CXTZYVXPFRYPBS-DOMZBBRYSA-N 1 1 331.420 0.795 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001056150566 770939609 /nfs/dbraw/zinc/93/96/09/770939609.db2.gz TTXYFVBKVSKSPL-BARDWOONSA-N 1 1 326.404 0.302 20 30 ECEDMO Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)c1C#N ZINC001056228145 771021328 /nfs/dbraw/zinc/02/13/28/771021328.db2.gz OOCXZJCVFYZMFX-SCUASFONSA-N 1 1 331.445 0.826 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC(C)(C)C1 ZINC001089389258 771023500 /nfs/dbraw/zinc/02/35/00/771023500.db2.gz NGJBYQJCOIGZMO-GFCCVEGCSA-N 1 1 334.424 0.170 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)C[C@H]21 ZINC001042172872 782887889 /nfs/dbraw/zinc/88/78/89/782887889.db2.gz JWEFOAWEYFIQRZ-LSDHHAIUSA-N 1 1 341.415 0.605 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031420698 771034502 /nfs/dbraw/zinc/03/45/02/771034502.db2.gz RGMAEQZNNJGWRQ-KRWDZBQOSA-N 1 1 346.406 0.718 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031420698 771034508 /nfs/dbraw/zinc/03/45/08/771034508.db2.gz RGMAEQZNNJGWRQ-KRWDZBQOSA-N 1 1 346.406 0.718 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)CC(C)(C)C1 ZINC001089398587 771045099 /nfs/dbraw/zinc/04/50/99/771045099.db2.gz IOTZVAZOQSXPTR-KGLIPLIRSA-N 1 1 333.432 0.764 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4C#N)C[C@H]32)C1 ZINC001056253537 771045682 /nfs/dbraw/zinc/04/56/82/771045682.db2.gz KUNQZVKKMIWBAT-FOCJUVANSA-N 1 1 326.404 0.241 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1C ZINC001056313351 771109845 /nfs/dbraw/zinc/10/98/45/771109845.db2.gz ACCNPIOAXCACKS-HZPDHXFCSA-N 1 1 346.431 0.986 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)CC(C)(C)C1 ZINC001089421551 771114936 /nfs/dbraw/zinc/11/49/36/771114936.db2.gz VQXNNARACYARGQ-CQSZACIVSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)CC(C)(C)C1 ZINC001089421551 771114938 /nfs/dbraw/zinc/11/49/38/771114938.db2.gz VQXNNARACYARGQ-CQSZACIVSA-N 1 1 326.462 0.661 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001056358392 771169290 /nfs/dbraw/zinc/16/92/90/771169290.db2.gz BKLRFYOIDSTXKX-KNCOVGOOSA-N 1 1 326.404 0.383 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042182300 782903149 /nfs/dbraw/zinc/90/31/49/782903149.db2.gz DLYNEMUXDVGOOG-ZIAGYGMSSA-N 1 1 340.855 0.094 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042182300 782903157 /nfs/dbraw/zinc/90/31/57/782903157.db2.gz DLYNEMUXDVGOOG-ZIAGYGMSSA-N 1 1 340.855 0.094 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4nccnc4C#N)C[C@H]32)CC[N@H+]1C ZINC001056379924 771202649 /nfs/dbraw/zinc/20/26/49/771202649.db2.gz NPTZKRYMLQZQEZ-GRYWWWGRSA-N 1 1 340.431 0.629 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001042184773 782906097 /nfs/dbraw/zinc/90/60/97/782906097.db2.gz ZGDNSBRZKYATAC-ZIAGYGMSSA-N 1 1 348.447 0.673 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC001019405415 771259084 /nfs/dbraw/zinc/25/90/84/771259084.db2.gz GUHJQQXWSANOLZ-ZNMIVQPWSA-N 1 1 345.447 0.896 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)CC[N@H+]1C ZINC001056447659 771278949 /nfs/dbraw/zinc/27/89/49/771278949.db2.gz GXRSRZLUBGZXIS-CNUKPYSBSA-N 1 1 340.431 0.629 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212241122 771361873 /nfs/dbraw/zinc/36/18/73/771361873.db2.gz LVIUKCZGIMNCIC-BZUAXINKSA-N 1 1 335.448 0.378 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC(C)(C)C1 ZINC001089513356 771380448 /nfs/dbraw/zinc/38/04/48/771380448.db2.gz CECNZDHOGFKNML-KBPBESRZSA-N 1 1 343.493 0.813 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)CC(C)(C)C2)nn1 ZINC001089514693 771382123 /nfs/dbraw/zinc/38/21/23/771382123.db2.gz OTJGCHRPOGIOFV-OLZOCXBDSA-N 1 1 348.451 0.558 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089520533 771393949 /nfs/dbraw/zinc/39/39/49/771393949.db2.gz XLQYDSXJCAMPNY-ZDUSSCGKSA-N 1 1 336.436 0.721 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001060734650 771442017 /nfs/dbraw/zinc/44/20/17/771442017.db2.gz ALKYWZWVPQHPPX-BZUAXINKSA-N 1 1 337.464 0.932 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)CC(C)(C)C1 ZINC001089552141 771464958 /nfs/dbraw/zinc/46/49/58/771464958.db2.gz MEGGQVZHKOYKHE-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089554531 771465926 /nfs/dbraw/zinc/46/59/26/771465926.db2.gz WIJIKHVNTZQKLH-LBPRGKRZSA-N 1 1 334.420 0.892 20 30 ECEDMO N#Cc1cnc(N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001056666945 771490310 /nfs/dbraw/zinc/49/03/10/771490310.db2.gz LMNMKJXYPNEOSN-CYBMUJFWSA-N 1 1 330.392 0.083 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC001089560799 771490891 /nfs/dbraw/zinc/49/08/91/771490891.db2.gz HMHMLHZJILCAMD-KBPBESRZSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC001089560799 771490894 /nfs/dbraw/zinc/49/08/94/771490894.db2.gz HMHMLHZJILCAMD-KBPBESRZSA-N 1 1 326.462 0.804 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561281 771494664 /nfs/dbraw/zinc/49/46/64/771494664.db2.gz OFWLBWFEYNYPNK-KGLIPLIRSA-N 1 1 343.493 0.861 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001031622911 771502685 /nfs/dbraw/zinc/50/26/85/771502685.db2.gz NCZDLLHUIWKQNE-HNNXBMFYSA-N 1 1 327.388 0.335 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089569078 771530149 /nfs/dbraw/zinc/53/01/49/771530149.db2.gz BHIUTUYFSZOPPU-KBPBESRZSA-N 1 1 333.432 0.669 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)C2CCN(C(=O)CC3CC3)CC2)C1=O ZINC001089569198 771531543 /nfs/dbraw/zinc/53/15/43/771531543.db2.gz SMDPEBLWQHQMRC-QGZVFWFLSA-N 1 1 349.475 0.859 20 30 ECEDMO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001057006386 771937047 /nfs/dbraw/zinc/93/70/47/771937047.db2.gz RAFSPADJGFIMLA-CABCVRRESA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057028255 771963476 /nfs/dbraw/zinc/96/34/76/771963476.db2.gz ZFVKQIVEJJQEGN-DZGCQCFKSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 ZINC001057027495 771963868 /nfs/dbraw/zinc/96/38/68/771963868.db2.gz IXGGQYMHEGWVID-UKRRQHHQSA-N 1 1 328.420 0.870 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001057053278 772002550 /nfs/dbraw/zinc/00/25/50/772002550.db2.gz ZYRRMYDUYCUHAC-VHDGCEQUSA-N 1 1 328.420 0.726 20 30 ECEDMO CN(c1nccnc1C#N)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001057066767 772027894 /nfs/dbraw/zinc/02/78/94/772027894.db2.gz YWLSSMQEDXQHOO-DZGCQCFKSA-N 1 1 328.420 0.870 20 30 ECEDMO Cc1cc(N2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001057115360 772108630 /nfs/dbraw/zinc/10/86/30/772108630.db2.gz OWNCJWDPNTUYBM-QGZVFWFLSA-N 1 1 343.431 0.631 20 30 ECEDMO Cc1cc(N2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001057115360 772108631 /nfs/dbraw/zinc/10/86/31/772108631.db2.gz OWNCJWDPNTUYBM-QGZVFWFLSA-N 1 1 343.431 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnsn2)[C@H]1C ZINC001020088977 772145316 /nfs/dbraw/zinc/14/53/16/772145316.db2.gz VBKLFWCBLYYIFV-OBJOEFQTSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnsn2)[C@H]1C ZINC001020088977 772145318 /nfs/dbraw/zinc/14/53/18/772145318.db2.gz VBKLFWCBLYYIFV-OBJOEFQTSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]21 ZINC001042252916 782988057 /nfs/dbraw/zinc/98/80/57/782988057.db2.gz BHNVMPWYEGFSRO-UONOGXRCSA-N 1 1 326.462 0.756 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]21 ZINC001042252916 782988062 /nfs/dbraw/zinc/98/80/62/782988062.db2.gz BHNVMPWYEGFSRO-UONOGXRCSA-N 1 1 326.462 0.756 20 30 ECEDMO N#Cc1ccc(N2CCCN(C(=O)CC[NH+]3CCOCC3)CC2)nc1 ZINC001057156301 772184744 /nfs/dbraw/zinc/18/47/44/772184744.db2.gz YECCAOXBLPTGGS-UHFFFAOYSA-N 1 1 343.431 0.714 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057202100 772264628 /nfs/dbraw/zinc/26/46/28/772264628.db2.gz AROKTUWUHRNEJA-UHFFFAOYSA-N 1 1 325.376 0.592 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001020194037 772265256 /nfs/dbraw/zinc/26/52/56/772265256.db2.gz WTBSMZZEGGLFHV-OBJOEFQTSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001057210268 772282232 /nfs/dbraw/zinc/28/22/32/772282232.db2.gz CJWUMTHILVQLKV-CABCVRRESA-N 1 1 325.453 0.620 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057212957 772287953 /nfs/dbraw/zinc/28/79/53/772287953.db2.gz ZZDIWPOMUOXYFB-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057252929 772347262 /nfs/dbraw/zinc/34/72/62/772347262.db2.gz ZXJHVKPHEQXIHX-INIZCTEOSA-N 1 1 338.415 0.485 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057252929 772347267 /nfs/dbraw/zinc/34/72/67/772347267.db2.gz ZXJHVKPHEQXIHX-INIZCTEOSA-N 1 1 338.415 0.485 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2nccc(OC)n2)CC1 ZINC001057252640 772347315 /nfs/dbraw/zinc/34/73/15/772347315.db2.gz FBQZBHBOKVHVIO-HNNXBMFYSA-N 1 1 343.431 0.622 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2nccc(OC)n2)CC1 ZINC001057252640 772347321 /nfs/dbraw/zinc/34/73/21/772347321.db2.gz FBQZBHBOKVHVIO-HNNXBMFYSA-N 1 1 343.431 0.622 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057256223 772353581 /nfs/dbraw/zinc/35/35/81/772353581.db2.gz VQNBINJUKQEZNK-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3(n4cnnn4)CCOCC3)C[C@H]21 ZINC001042265772 783006429 /nfs/dbraw/zinc/00/64/29/783006429.db2.gz JDECDZOGDXQTQH-HUUCEWRRSA-N 1 1 346.435 0.288 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]21 ZINC001042267247 783010468 /nfs/dbraw/zinc/01/04/68/783010468.db2.gz WMZJVFDTLVPXGV-HIFRSBDPSA-N 1 1 339.399 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC1CCC1 ZINC001057297199 772422084 /nfs/dbraw/zinc/42/20/84/772422084.db2.gz MUAYRQDRPLUGOA-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC1CCC1 ZINC001057297199 772422089 /nfs/dbraw/zinc/42/20/89/772422089.db2.gz MUAYRQDRPLUGOA-KRWDZBQOSA-N 1 1 349.475 0.601 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccncc3C#N)CC2)C1 ZINC001057303147 772433087 /nfs/dbraw/zinc/43/30/87/772433087.db2.gz FVHJPHBGRJFYFG-MRXNPFEDSA-N 1 1 329.404 0.109 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccncc3C#N)CC2)C1 ZINC001057303147 772433090 /nfs/dbraw/zinc/43/30/90/772433090.db2.gz FVHJPHBGRJFYFG-MRXNPFEDSA-N 1 1 329.404 0.109 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccc(C#N)nn3)CC2)C1 ZINC001057337354 772483184 /nfs/dbraw/zinc/48/31/84/772483184.db2.gz ROZVKCCREIOCOQ-OAHLLOKOSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccc(C#N)nn3)CC2)C1 ZINC001057337354 772483188 /nfs/dbraw/zinc/48/31/88/772483188.db2.gz ROZVKCCREIOCOQ-OAHLLOKOSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC(Nc3ccnc(C#N)n3)CC2)C1 ZINC001057425530 772600024 /nfs/dbraw/zinc/60/00/24/772600024.db2.gz HRFQMWVWJIOMFP-ZDUSSCGKSA-N 1 1 328.420 0.515 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(Nc2nccnc2C#N)CC1 ZINC001057426727 772601318 /nfs/dbraw/zinc/60/13/18/772601318.db2.gz FVCQXTFWIGWKCZ-GXTWGEPZSA-N 1 1 328.420 0.949 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(CNc3ccncc3C#N)CC2)C1 ZINC001057502036 772690956 /nfs/dbraw/zinc/69/09/56/772690956.db2.gz ZEHWMKULDWWUJJ-HNNXBMFYSA-N 1 1 327.432 0.977 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057598813 772794603 /nfs/dbraw/zinc/79/46/03/772794603.db2.gz ICRSMNCFFLJREX-JKSUJKDBSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001057601728 772799602 /nfs/dbraw/zinc/79/96/02/772799602.db2.gz TWZLKPHIZBSHJN-HUUCEWRRSA-N 1 1 339.480 0.724 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001057601725 772799615 /nfs/dbraw/zinc/79/96/15/772799615.db2.gz TWZLKPHIZBSHJN-GJZGRUSLSA-N 1 1 339.480 0.724 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)CC=C ZINC001057602076 772800024 /nfs/dbraw/zinc/80/00/24/772800024.db2.gz ZWLAGOYNHGVKRG-INIZCTEOSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)CC=C ZINC001057602076 772800028 /nfs/dbraw/zinc/80/00/28/772800028.db2.gz ZWLAGOYNHGVKRG-INIZCTEOSA-N 1 1 349.475 0.623 20 30 ECEDMO C=CCC(CC=C)C(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001057681949 772908413 /nfs/dbraw/zinc/90/84/13/772908413.db2.gz ZZVUVNKIKSCXCM-UHFFFAOYSA-N 1 1 348.447 0.897 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057719019 772942842 /nfs/dbraw/zinc/94/28/42/772942842.db2.gz YNLGHJYLQYZKCT-CVEARBPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](Nc3ccncc3C#N)C2)O1 ZINC001057774196 772974958 /nfs/dbraw/zinc/97/49/58/772974958.db2.gz GIWLJOKVFSVQEZ-FRFSOERESA-N 1 1 343.431 0.497 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](Nc3ccncc3C#N)C2)O1 ZINC001057774196 772974963 /nfs/dbraw/zinc/97/49/63/772974963.db2.gz GIWLJOKVFSVQEZ-FRFSOERESA-N 1 1 343.431 0.497 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001057773808 772975049 /nfs/dbraw/zinc/97/50/49/772975049.db2.gz VRMWRGFLCZTOMB-CABCVRRESA-N 1 1 338.415 0.271 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001057773808 772975052 /nfs/dbraw/zinc/97/50/52/772975052.db2.gz VRMWRGFLCZTOMB-CABCVRRESA-N 1 1 338.415 0.271 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(c2cncc(C#N)n2)CC1 ZINC001057785517 772981003 /nfs/dbraw/zinc/98/10/03/772981003.db2.gz GLGVNJLEAIGRTE-HNNXBMFYSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001057790947 772986526 /nfs/dbraw/zinc/98/65/26/772986526.db2.gz SOQKMRXBLAXCIM-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001057790947 772986531 /nfs/dbraw/zinc/98/65/31/772986531.db2.gz SOQKMRXBLAXCIM-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)CC[NH+]1CCOCC1 ZINC001057804615 773002954 /nfs/dbraw/zinc/00/29/54/773002954.db2.gz NTASLGINWUKWCW-UHFFFAOYSA-N 1 1 341.452 0.002 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057812164 773015056 /nfs/dbraw/zinc/01/50/56/773015056.db2.gz VYNQDNWOHFGPLV-XJKSGUPXSA-N 1 1 342.447 0.879 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057864459 773093013 /nfs/dbraw/zinc/09/30/13/773093013.db2.gz TWYJDTADEBUGJU-GJZGRUSLSA-N 1 1 327.469 0.722 20 30 ECEDMO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001057876303 773114161 /nfs/dbraw/zinc/11/41/61/773114161.db2.gz GZQVZOYYMSJJSJ-AWEZNQCLSA-N 1 1 348.447 0.910 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001057942600 773236335 /nfs/dbraw/zinc/23/63/35/773236335.db2.gz NCNLNKRFODDQTO-UHFFFAOYSA-N 1 1 349.435 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCCCC ZINC001057961122 773290323 /nfs/dbraw/zinc/29/03/23/773290323.db2.gz JRSMQIKDMKQDSI-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCCCC ZINC001057961122 773290329 /nfs/dbraw/zinc/29/03/29/773290329.db2.gz JRSMQIKDMKQDSI-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057973883 773317613 /nfs/dbraw/zinc/31/76/13/773317613.db2.gz CUGAIPXVHLZEGS-IAGOWNOFSA-N 1 1 347.459 0.354 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001058054953 773442646 /nfs/dbraw/zinc/44/26/46/773442646.db2.gz UDEBGBDIVSQKCH-LSDHHAIUSA-N 1 1 338.452 0.204 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058110979 773554101 /nfs/dbraw/zinc/55/41/01/773554101.db2.gz DZUFUCNAJPIYEJ-KRWDZBQOSA-N 1 1 336.436 0.731 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058168188 773684717 /nfs/dbraw/zinc/68/47/17/773684717.db2.gz WTTZMPLWASXZMY-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058168188 773684722 /nfs/dbraw/zinc/68/47/22/773684722.db2.gz WTTZMPLWASXZMY-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058176719 773706750 /nfs/dbraw/zinc/70/67/50/773706750.db2.gz FKUSWMGNOYTQDC-KGLIPLIRSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058177056 773707862 /nfs/dbraw/zinc/70/78/62/773707862.db2.gz OMXBTZKXAVFIIA-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC001058181592 773719044 /nfs/dbraw/zinc/71/90/44/773719044.db2.gz BRSPICMBWOFVJB-KDOFPFPSSA-N 1 1 340.431 0.919 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)C1 ZINC001058241751 773830389 /nfs/dbraw/zinc/83/03/89/773830389.db2.gz YWDCCPMKWMMZDZ-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058381989 774069590 /nfs/dbraw/zinc/06/95/90/774069590.db2.gz ZWKLPJCIZBGCCP-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001058442705 774189794 /nfs/dbraw/zinc/18/97/94/774189794.db2.gz NTCWIDLJAGKYCM-UHFFFAOYSA-N 1 1 334.420 0.322 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058468798 774245246 /nfs/dbraw/zinc/24/52/46/774245246.db2.gz RHJUIZZSLFEKOP-HZPDHXFCSA-N 1 1 339.480 0.868 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)C1 ZINC001058522076 774355581 /nfs/dbraw/zinc/35/55/81/774355581.db2.gz ZQZFGMOXJLGFDX-ZFWWWQNUSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)C1 ZINC001058522076 774355586 /nfs/dbraw/zinc/35/55/86/774355586.db2.gz ZQZFGMOXJLGFDX-ZFWWWQNUSA-N 1 1 344.419 0.152 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 ZINC001058582841 774475540 /nfs/dbraw/zinc/47/55/40/774475540.db2.gz SVOFJTHKSYCLEI-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(C)no3)C[C@@H]2C)nn1 ZINC001044773437 774595271 /nfs/dbraw/zinc/59/52/71/774595271.db2.gz FURZAJPGKRCJBB-AAEUAGOBSA-N 1 1 345.407 0.938 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(c3ccc(C#N)nn3)[C@H]2C1 ZINC001044941854 774749688 /nfs/dbraw/zinc/74/96/88/774749688.db2.gz QPTBTDWFYYSTGW-IMJJTQAJSA-N 1 1 340.431 0.870 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1-c1ccccc1 ZINC001044960952 774771302 /nfs/dbraw/zinc/77/13/02/774771302.db2.gz JAWFRUFUDVADIQ-HIFRSBDPSA-N 1 1 339.403 0.903 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001044978967 774792455 /nfs/dbraw/zinc/79/24/55/774792455.db2.gz BNMMMKJIUIDRRU-KBPBESRZSA-N 1 1 325.453 0.476 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1)c1nncn1C ZINC001044980376 774794946 /nfs/dbraw/zinc/79/49/46/774794946.db2.gz WJDCVWOPBOSOHS-YPMHNXCESA-N 1 1 327.392 0.970 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001044980578 774795835 /nfs/dbraw/zinc/79/58/35/774795835.db2.gz OFQGDOFJGLBXAR-ZIAGYGMSSA-N 1 1 339.480 0.864 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001044999390 774816180 /nfs/dbraw/zinc/81/61/80/774816180.db2.gz YWMNKXFRZIBFCT-GJZGRUSLSA-N 1 1 335.448 0.067 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(c4cnc(C#N)cn4)[C@H]3C2)C1 ZINC001045041770 774887629 /nfs/dbraw/zinc/88/76/29/774887629.db2.gz XGLDEWNZVGOBQD-LZWOXQAQSA-N 1 1 340.431 0.727 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001045059698 774912423 /nfs/dbraw/zinc/91/24/23/774912423.db2.gz VUVUFAQHDQNFAI-CYBMUJFWSA-N 1 1 334.420 0.483 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nc(CC)no1 ZINC001045073662 774936127 /nfs/dbraw/zinc/93/61/27/774936127.db2.gz MKFIQDOXTVDAEV-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nc(CC)no1 ZINC001045073662 774936132 /nfs/dbraw/zinc/93/61/32/774936132.db2.gz MKFIQDOXTVDAEV-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001043876556 775180806 /nfs/dbraw/zinc/18/08/06/775180806.db2.gz XBFPDGBWCGLEJV-ILXRZTDVSA-N 1 1 329.404 0.022 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@@H](C)c2nnc(C)[nH]2)nn1 ZINC001045232219 775190229 /nfs/dbraw/zinc/19/02/29/775190229.db2.gz LVMLEOYCWRZWIX-AAEUAGOBSA-N 1 1 344.423 0.846 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2C)nn1 ZINC001045235623 775194995 /nfs/dbraw/zinc/19/49/95/775194995.db2.gz SBFBGRLMSPTWLD-ZDUSSCGKSA-N 1 1 344.423 0.377 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](n2ccnn2)C1 ZINC001070018770 790344757 /nfs/dbraw/zinc/34/47/57/790344757.db2.gz TYRJQBWWBUVTRV-OLZOCXBDSA-N 1 1 333.371 0.762 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cncc(C#C)c2)[C@@H](n2ccnn2)C1 ZINC001070022345 790355393 /nfs/dbraw/zinc/35/53/93/790355393.db2.gz KBUFJKAJEGQQIQ-SJORKVTESA-N 1 1 334.383 0.333 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cncc(C#C)c2)[C@@H](n2ccnn2)C1 ZINC001070022345 790355402 /nfs/dbraw/zinc/35/54/02/790355402.db2.gz KBUFJKAJEGQQIQ-SJORKVTESA-N 1 1 334.383 0.333 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044007706 775499247 /nfs/dbraw/zinc/49/92/47/775499247.db2.gz ULICCBQOQBWHQG-LSDHHAIUSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001044011555 775509399 /nfs/dbraw/zinc/50/93/99/775509399.db2.gz QXDZJHBPNNUJBH-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001045559591 775800158 /nfs/dbraw/zinc/80/01/58/775800158.db2.gz MOWKRGPQEPQJHA-STQMWFEESA-N 1 1 347.419 0.246 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070039825 790419684 /nfs/dbraw/zinc/41/96/84/790419684.db2.gz XCEXNWXQFVRWKO-CABCVRRESA-N 1 1 340.387 0.366 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070039825 790419690 /nfs/dbraw/zinc/41/96/90/790419690.db2.gz XCEXNWXQFVRWKO-CABCVRRESA-N 1 1 340.387 0.366 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H](n2ccnn2)C1 ZINC001070042409 790430551 /nfs/dbraw/zinc/43/05/51/790430551.db2.gz LFLHMMKJFYNAED-CABCVRRESA-N 1 1 329.408 0.726 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H](n2ccnn2)C1 ZINC001070042409 790430555 /nfs/dbraw/zinc/43/05/55/790430555.db2.gz LFLHMMKJFYNAED-CABCVRRESA-N 1 1 329.408 0.726 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001044484600 776347301 /nfs/dbraw/zinc/34/73/01/776347301.db2.gz PUHIHQXQGNTSQM-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2n2ccnn2)nn1 ZINC001070048536 790446131 /nfs/dbraw/zinc/44/61/31/790446131.db2.gz WLTPOGVSBXIWBS-HIFRSBDPSA-N 1 1 344.423 0.509 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CCC)C[C@@H]2n2ccnn2)nn1 ZINC001070048257 790446455 /nfs/dbraw/zinc/44/64/55/790446455.db2.gz GXWNQTCPMBDGIG-HIFRSBDPSA-N 1 1 344.423 0.511 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ncccn2)[C@@H](n2ccnn2)C1 ZINC001070060321 790476320 /nfs/dbraw/zinc/47/63/20/790476320.db2.gz PXBWFQXWGCGZFD-KGLIPLIRSA-N 1 1 327.392 0.690 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)Cn1nccn1 ZINC001079774274 776845018 /nfs/dbraw/zinc/84/50/18/776845018.db2.gz ZBVZQECJAUPWMO-MLGOLLRUSA-N 1 1 342.378 0.926 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)Cn1nccn1 ZINC001079774274 776845024 /nfs/dbraw/zinc/84/50/24/776845024.db2.gz ZBVZQECJAUPWMO-MLGOLLRUSA-N 1 1 342.378 0.926 20 30 ECEDMO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001079852287 776977824 /nfs/dbraw/zinc/97/78/24/776977824.db2.gz DQIIASSULUOKCC-CYBMUJFWSA-N 1 1 334.420 0.850 20 30 ECEDMO CC#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001079865844 776998246 /nfs/dbraw/zinc/99/82/46/776998246.db2.gz LKWKVYBJEZAQCP-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO CC#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001079865844 776998251 /nfs/dbraw/zinc/99/82/51/776998251.db2.gz LKWKVYBJEZAQCP-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001079879125 777010997 /nfs/dbraw/zinc/01/09/97/777010997.db2.gz AMLNGOBNYPNNLI-ZACQAIPSSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1C ZINC001079879261 777012630 /nfs/dbraw/zinc/01/26/30/777012630.db2.gz JWOCKNKEFIORCS-KYJSFNMBSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1C ZINC001079879261 777012635 /nfs/dbraw/zinc/01/26/35/777012635.db2.gz JWOCKNKEFIORCS-KYJSFNMBSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3nccn3c2)[C@@H](n2ccnn2)C1 ZINC001070073221 790511105 /nfs/dbraw/zinc/51/11/05/790511105.db2.gz AKFWKVRAVBDHMI-CVEARBPZSA-N 1 1 349.398 0.604 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3nccn3c2)[C@@H](n2ccnn2)C1 ZINC001070073221 790511111 /nfs/dbraw/zinc/51/11/11/790511111.db2.gz AKFWKVRAVBDHMI-CVEARBPZSA-N 1 1 349.398 0.604 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079978504 777183894 /nfs/dbraw/zinc/18/38/94/777183894.db2.gz QYPGBXHCGSSVNR-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCOCC(=O)N1CC(N(CC)C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001079996186 777205548 /nfs/dbraw/zinc/20/55/48/777205548.db2.gz CZROMYBQZBSHIP-UHFFFAOYSA-N 1 1 325.453 0.979 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001079997349 777207668 /nfs/dbraw/zinc/20/76/68/777207668.db2.gz QKEPCEIQEXYDKB-UHFFFAOYSA-N 1 1 337.464 0.816 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001070079735 790532830 /nfs/dbraw/zinc/53/28/30/790532830.db2.gz QDEDWAZFXDIOAN-PMPSAXMXSA-N 1 1 346.435 0.207 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001080107903 777402744 /nfs/dbraw/zinc/40/27/44/777402744.db2.gz XEURMXXSKDNPRU-CQSZACIVSA-N 1 1 334.420 0.842 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001080107902 777402759 /nfs/dbraw/zinc/40/27/59/777402759.db2.gz XEURMXXSKDNPRU-AWEZNQCLSA-N 1 1 334.420 0.842 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080141337 777452969 /nfs/dbraw/zinc/45/29/69/777452969.db2.gz FFWUVENTZCCXKY-LSDHHAIUSA-N 1 1 335.448 0.426 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 ZINC001068551805 790546565 /nfs/dbraw/zinc/54/65/65/790546565.db2.gz BFVREAHZAMXXTI-JOCQHMNTSA-N 1 1 325.376 0.860 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080279130 777640026 /nfs/dbraw/zinc/64/00/26/777640026.db2.gz KFGAOGAZJOEMDN-BXUZGUMPSA-N 1 1 325.376 0.332 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080279130 777640032 /nfs/dbraw/zinc/64/00/32/777640032.db2.gz KFGAOGAZJOEMDN-BXUZGUMPSA-N 1 1 325.376 0.332 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001080333450 777702495 /nfs/dbraw/zinc/70/24/95/777702495.db2.gz NWYKINCUOYCOEQ-YUELXQCFSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001080333450 777702514 /nfs/dbraw/zinc/70/25/14/777702514.db2.gz NWYKINCUOYCOEQ-YUELXQCFSA-N 1 1 345.447 0.566 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360532 777747519 /nfs/dbraw/zinc/74/75/19/777747519.db2.gz BUVMALOJZXLCAP-UHOFOFEASA-N 1 1 344.390 0.295 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360532 777747526 /nfs/dbraw/zinc/74/75/26/777747526.db2.gz BUVMALOJZXLCAP-UHOFOFEASA-N 1 1 344.390 0.295 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080361073 777750840 /nfs/dbraw/zinc/75/08/40/777750840.db2.gz RTTOYLBIERLIJX-VNQPRFMTSA-N 1 1 326.400 0.156 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080361073 777750846 /nfs/dbraw/zinc/75/08/46/777750846.db2.gz RTTOYLBIERLIJX-VNQPRFMTSA-N 1 1 326.400 0.156 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080419757 777827146 /nfs/dbraw/zinc/82/71/46/777827146.db2.gz GJCRZCIXHIUPNQ-CYBMUJFWSA-N 1 1 343.431 0.981 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001043187597 777912397 /nfs/dbraw/zinc/91/23/97/777912397.db2.gz KYKPHCBKDWWQRA-UHFFFAOYSA-N 1 1 337.464 0.786 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001043207173 777959860 /nfs/dbraw/zinc/95/98/60/777959860.db2.gz NOLKQKKRLZBRJC-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001080532615 777972321 /nfs/dbraw/zinc/97/23/21/777972321.db2.gz QKOKYRSZCOCWPM-KRWDZBQOSA-N 1 1 325.453 0.715 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)nn1 ZINC001080589751 778101841 /nfs/dbraw/zinc/10/18/41/778101841.db2.gz JSSBIWSOPKOCBT-UMVBOHGHSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)nn1 ZINC001080589751 778101845 /nfs/dbraw/zinc/10/18/45/778101845.db2.gz JSSBIWSOPKOCBT-UMVBOHGHSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043311177 778140134 /nfs/dbraw/zinc/14/01/34/778140134.db2.gz PSICEKRGGWIIJF-JKSUJKDBSA-N 1 1 349.475 0.907 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043326050 778160851 /nfs/dbraw/zinc/16/08/51/778160851.db2.gz ADECHVMASWCPHL-RBSFLKMASA-N 1 1 342.447 0.902 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001043411372 778286866 /nfs/dbraw/zinc/28/68/66/778286866.db2.gz YOFDOWVXVHKBQF-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1Nc1nccnc1C#N ZINC001043595043 778562530 /nfs/dbraw/zinc/56/25/30/778562530.db2.gz AODNOHYFUNINHC-QHSBEEBCSA-N 1 1 344.419 0.326 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1Nc1nccnc1C#N ZINC001043595043 778562533 /nfs/dbraw/zinc/56/25/33/778562533.db2.gz AODNOHYFUNINHC-QHSBEEBCSA-N 1 1 344.419 0.326 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070110403 790637348 /nfs/dbraw/zinc/63/73/48/790637348.db2.gz PFPHEOSFHMSQKC-BMFZPTHFSA-N 1 1 341.419 0.180 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070111931 790642405 /nfs/dbraw/zinc/64/24/05/790642405.db2.gz GCNUGXUOUWKRPW-INIZCTEOSA-N 1 1 347.459 0.666 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21 ZINC001043679070 778709407 /nfs/dbraw/zinc/70/94/07/778709407.db2.gz YCWYZRHUXJUUJQ-IXDOHACOSA-N 1 1 341.415 0.463 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043680279 778712091 /nfs/dbraw/zinc/71/20/91/778712091.db2.gz PTDVXCMUAZNKSX-HUUCEWRRSA-N 1 1 349.475 0.905 20 30 ECEDMO COCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](n2ccnn2)C1 ZINC001070112753 790646053 /nfs/dbraw/zinc/64/60/53/790646053.db2.gz PJOAJCBFIRBZIU-CVEARBPZSA-N 1 1 340.387 0.338 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CCC1 ZINC001043771744 778846442 /nfs/dbraw/zinc/84/64/42/778846442.db2.gz YCZUEEXLRGZCSN-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCCC1 ZINC001043825064 778919569 /nfs/dbraw/zinc/91/95/69/778919569.db2.gz WUFPLIHFGLABNF-OAHLLOKOSA-N 1 1 349.475 0.764 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CCC2(CN(C(=O)C#CC3CC3)C2)O1 ZINC001068598688 790677576 /nfs/dbraw/zinc/67/75/76/790677576.db2.gz URPDPQBOVDUQFF-MRXNPFEDSA-N 1 1 347.459 0.618 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)C#CC(C)(C)C)CCOCC2)C1 ZINC001070122447 790684304 /nfs/dbraw/zinc/68/43/04/790684304.db2.gz XBWFVPYONKIQCR-OAHLLOKOSA-N 1 1 349.475 0.769 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070144078 790741138 /nfs/dbraw/zinc/74/11/38/790741138.db2.gz PEQMWNVUYCDBBO-UHFFFAOYSA-N 1 1 335.448 0.522 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@@H]21 ZINC001042271481 779951771 /nfs/dbraw/zinc/95/17/71/779951771.db2.gz YYKCRKWLZDBEBJ-GJZGRUSLSA-N 1 1 346.431 0.426 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]21 ZINC001042311130 780049792 /nfs/dbraw/zinc/04/97/92/780049792.db2.gz GEQMUPJUFQGZPL-GHMZBOCLSA-N 1 1 332.360 0.066 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC001042333241 780087936 /nfs/dbraw/zinc/08/79/36/780087936.db2.gz NICIDILOJVWHMZ-KBPBESRZSA-N 1 1 346.431 0.263 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC001042333840 780088469 /nfs/dbraw/zinc/08/84/69/780088469.db2.gz QIXHGSWBBTYPJI-KGLIPLIRSA-N 1 1 348.447 0.816 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@H]21 ZINC001042358060 780139887 /nfs/dbraw/zinc/13/98/87/780139887.db2.gz NOCJWOONYNRBOI-LSDHHAIUSA-N 1 1 338.415 0.613 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001042380707 780176180 /nfs/dbraw/zinc/17/61/80/780176180.db2.gz WKOCTMYNYNUHJZ-BBRMVZONSA-N 1 1 326.400 0.740 20 30 ECEDMO Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159650 790786786 /nfs/dbraw/zinc/78/67/86/790786786.db2.gz LZLAFYFXGPXUIF-JLLWLGSASA-N 1 1 346.420 0.139 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)CCOC)CC1 ZINC001078763040 780461915 /nfs/dbraw/zinc/46/19/15/780461915.db2.gz SMLFJVHTESYFNV-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)CCOC)CC1 ZINC001078763040 780461919 /nfs/dbraw/zinc/46/19/19/780461919.db2.gz SMLFJVHTESYFNV-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C ZINC001042621077 780541160 /nfs/dbraw/zinc/54/11/60/780541160.db2.gz IDTFBMHBTLZXAE-KFWWJZLASA-N 1 1 338.415 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C ZINC001042621077 780541167 /nfs/dbraw/zinc/54/11/67/780541167.db2.gz IDTFBMHBTLZXAE-KFWWJZLASA-N 1 1 338.415 0.387 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001042658863 780599701 /nfs/dbraw/zinc/59/97/01/780599701.db2.gz UETHHKODQUKXAH-SFHVURJKSA-N 1 1 347.459 0.355 20 30 ECEDMO CC(=O)NCCCCC[NH+]1CCN(C(=O)CSCC#N)CC1 ZINC001079153126 780822791 /nfs/dbraw/zinc/82/27/91/780822791.db2.gz RRPQOSBJVZOSNO-UHFFFAOYSA-N 1 1 326.466 0.694 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)C(F)F)CC1 ZINC001079164958 780846373 /nfs/dbraw/zinc/84/63/73/780846373.db2.gz YQFWLTMPWQALMW-LBPRGKRZSA-N 1 1 330.379 0.842 20 30 ECEDMO C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)C(F)F)CC1 ZINC001079164957 780847217 /nfs/dbraw/zinc/84/72/17/780847217.db2.gz YQFWLTMPWQALMW-GFCCVEGCSA-N 1 1 330.379 0.842 20 30 ECEDMO C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2cnco2)CC1 ZINC001079165837 780848857 /nfs/dbraw/zinc/84/88/57/780848857.db2.gz JEXDIDUVUHHDBZ-CQSZACIVSA-N 1 1 347.419 0.879 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21 ZINC001079227312 780897840 /nfs/dbraw/zinc/89/78/40/780897840.db2.gz MOHUEDSLBBMVLN-HRCADAONSA-N 1 1 332.448 0.544 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001042836046 780915591 /nfs/dbraw/zinc/91/55/91/780915591.db2.gz OGNPIPPDJPKKFI-RBSFLKMASA-N 1 1 329.404 0.225 20 30 ECEDMO CN(c1cnc(C#N)cn1)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001068664144 790835988 /nfs/dbraw/zinc/83/59/88/790835988.db2.gz VOAIIUDYMIDWOJ-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(c1cnc(C#N)cn1)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001068664144 790836000 /nfs/dbraw/zinc/83/60/00/790836000.db2.gz VOAIIUDYMIDWOJ-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001079389153 781064271 /nfs/dbraw/zinc/06/42/71/781064271.db2.gz JDTBIHBMZIRXHD-BNOWGMLFSA-N 1 1 345.403 0.019 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001042942963 781077309 /nfs/dbraw/zinc/07/73/09/781077309.db2.gz IDMJZSBGTKIEIR-CVEARBPZSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cc(C)n(C)n2)C1 ZINC001042959959 781101108 /nfs/dbraw/zinc/10/11/08/781101108.db2.gz HUVUZKDYFDQHTR-KRWDZBQOSA-N 1 1 329.448 0.469 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cc(C)n(C)n2)C1 ZINC001042959959 781101109 /nfs/dbraw/zinc/10/11/09/781101109.db2.gz HUVUZKDYFDQHTR-KRWDZBQOSA-N 1 1 329.448 0.469 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nn(CC)nc2C)C1 ZINC001042960007 781101146 /nfs/dbraw/zinc/10/11/46/781101146.db2.gz KAPMKSVESWIVMI-KRWDZBQOSA-N 1 1 344.463 0.347 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nn(CC)nc2C)C1 ZINC001042960007 781101150 /nfs/dbraw/zinc/10/11/50/781101150.db2.gz KAPMKSVESWIVMI-KRWDZBQOSA-N 1 1 344.463 0.347 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cc(OC)ccn2)C1 ZINC001042960802 781103357 /nfs/dbraw/zinc/10/33/57/781103357.db2.gz VKWRTOONGHVMGT-SFHVURJKSA-N 1 1 342.443 0.830 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cc(OC)ccn2)C1 ZINC001042960802 781103360 /nfs/dbraw/zinc/10/33/60/781103360.db2.gz VKWRTOONGHVMGT-SFHVURJKSA-N 1 1 342.443 0.830 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 ZINC001042964830 781109437 /nfs/dbraw/zinc/10/94/37/781109437.db2.gz NKTHEUCPOSRNDK-INIZCTEOSA-N 1 1 347.459 0.210 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 ZINC001042965090 781110033 /nfs/dbraw/zinc/11/00/33/781110033.db2.gz UJZUIJSXQNSLHI-MRXNPFEDSA-N 1 1 347.459 0.211 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042970570 781118277 /nfs/dbraw/zinc/11/82/77/781118277.db2.gz PTVSYLAIHLKTPM-CYBMUJFWSA-N 1 1 346.431 0.327 20 30 ECEDMO CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001042973919 781122413 /nfs/dbraw/zinc/12/24/13/781122413.db2.gz DVMIEHIJTCLDGA-NWANDNLSSA-N 1 1 344.419 0.010 20 30 ECEDMO C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079526562 781223186 /nfs/dbraw/zinc/22/31/86/781223186.db2.gz OSQWKJPLEYUHLT-RAIGVLPGSA-N 1 1 346.269 0.662 20 30 ECEDMO C=C(Br)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079526562 781223189 /nfs/dbraw/zinc/22/31/89/781223189.db2.gz OSQWKJPLEYUHLT-RAIGVLPGSA-N 1 1 346.269 0.662 20 30 ECEDMO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079539787 781240598 /nfs/dbraw/zinc/24/05/98/781240598.db2.gz LXALGPNCTLWYKP-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079539787 781240602 /nfs/dbraw/zinc/24/06/02/781240602.db2.gz LXALGPNCTLWYKP-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043060508 781257302 /nfs/dbraw/zinc/25/73/02/781257302.db2.gz UHZKRGMHKKYJTF-HZPDHXFCSA-N 1 1 347.459 0.210 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043061919 781259191 /nfs/dbraw/zinc/25/91/91/781259191.db2.gz PTBUEMYMRSPCPY-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001043062090 781260226 /nfs/dbraw/zinc/26/02/26/781260226.db2.gz VRCZDKQGQOLFEQ-AWEZNQCLSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043062333 781260239 /nfs/dbraw/zinc/26/02/39/781260239.db2.gz ZSSLKSKGOQWLIS-UONOGXRCSA-N 1 1 337.464 0.476 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]2O)CC1 ZINC001077625158 781373678 /nfs/dbraw/zinc/37/36/78/781373678.db2.gz SWNWIOMRNQOHOD-BZUAXINKSA-N 1 1 345.447 0.673 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC001041409300 781449422 /nfs/dbraw/zinc/44/94/22/781449422.db2.gz XLVMKRBBVYAIFG-SFHVURJKSA-N 1 1 328.416 0.833 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001041422794 781475183 /nfs/dbraw/zinc/47/51/83/781475183.db2.gz QURJCDFMGTXMIU-MRXNPFEDSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001041422793 781475652 /nfs/dbraw/zinc/47/56/52/781475652.db2.gz QURJCDFMGTXMIU-INIZCTEOSA-N 1 1 326.462 0.922 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC(N(C)c2ccnc(C#N)n2)CC1 ZINC001068680934 790883041 /nfs/dbraw/zinc/88/30/41/790883041.db2.gz YNQXIBRFJNYOJW-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cnc1C ZINC001077678762 781491346 /nfs/dbraw/zinc/49/13/46/781491346.db2.gz VZTIONOEWCBQGW-BBRMVZONSA-N 1 1 345.447 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cnc1C ZINC001077678762 781491352 /nfs/dbraw/zinc/49/13/52/781491352.db2.gz VZTIONOEWCBQGW-BBRMVZONSA-N 1 1 345.447 0.369 20 30 ECEDMO CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680484 781497841 /nfs/dbraw/zinc/49/78/41/781497841.db2.gz JDKMFTCIQQJPPT-CPUCHLNUSA-N 1 1 325.428 0.384 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC001041503629 781647658 /nfs/dbraw/zinc/64/76/58/781647658.db2.gz QQTHYGFNOFMBNC-BMFAXAFESA-N 1 1 332.444 0.986 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCn3ncn(C)c3=O)C2)C1 ZINC001041505082 781651746 /nfs/dbraw/zinc/65/17/46/781651746.db2.gz FIRKMKKTTAZAQH-KRWDZBQOSA-N 1 1 333.436 0.472 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001041505187 781651770 /nfs/dbraw/zinc/65/17/70/781651770.db2.gz JMWFXDREDHEANX-UKRRQHHQSA-N 1 1 344.419 0.329 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(-n4cnnn4)cn3)C2)C1 ZINC001041507131 781656154 /nfs/dbraw/zinc/65/61/54/781656154.db2.gz VAVZMHJSTSBXMD-KRWDZBQOSA-N 1 1 339.403 0.781 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3ncn(C)c3=O)C2)C1 ZINC001041510370 781667706 /nfs/dbraw/zinc/66/77/06/781667706.db2.gz WKDVSVWXJNSMNH-QGZVFWFLSA-N 1 1 333.436 0.472 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(n4cnnn4)CCCCC3)C2)C1 ZINC001041528984 781708095 /nfs/dbraw/zinc/70/80/95/781708095.db2.gz BPTJHWZUGSQTCR-KRWDZBQOSA-N 1 1 342.447 0.890 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O)nn1 ZINC001077802516 781723185 /nfs/dbraw/zinc/72/31/85/781723185.db2.gz LPVUPLBKACOIPY-GDBMZVCRSA-N 1 1 327.388 0.439 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2O)nn1 ZINC001077802516 781723188 /nfs/dbraw/zinc/72/31/88/781723188.db2.gz LPVUPLBKACOIPY-GDBMZVCRSA-N 1 1 327.388 0.439 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077821807 781758299 /nfs/dbraw/zinc/75/82/99/781758299.db2.gz HUDPGUXIMFWWRB-HZMVEIRTSA-N 1 1 338.448 0.698 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001077848700 781811661 /nfs/dbraw/zinc/81/16/61/781811661.db2.gz LHGYIPIRCZPHSV-HZPDHXFCSA-N 1 1 328.416 0.480 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001077904257 781910030 /nfs/dbraw/zinc/91/00/30/781910030.db2.gz SABICWJGOUIWOG-HUUCEWRRSA-N 1 1 329.404 0.628 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(c2ccncc2C#N)CCCO1 ZINC001039908243 783257950 /nfs/dbraw/zinc/25/79/50/783257950.db2.gz ULBVFBOMPICIST-RDJZCZTQSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)CCCO1 ZINC001039908167 783258438 /nfs/dbraw/zinc/25/84/38/783258438.db2.gz SCGIYRRINIIMML-HZPDHXFCSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(c3ccc(C#N)nn3)CCCO2)C1 ZINC001039915365 783275919 /nfs/dbraw/zinc/27/59/19/783275919.db2.gz QEDQUSCTLRYROB-HIFRSBDPSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001040728548 783339160 /nfs/dbraw/zinc/33/91/60/783339160.db2.gz BLTZHBXIPJEUNF-QGZVFWFLSA-N 1 1 325.453 0.763 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070234091 783712498 /nfs/dbraw/zinc/71/24/98/783712498.db2.gz MPQUXFPTDKVGIZ-MGPQQGTHSA-N 1 1 336.436 0.268 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@@H]1n1ccnn1 ZINC001070312145 783818857 /nfs/dbraw/zinc/81/88/57/783818857.db2.gz BABZDCWRHXQMLQ-OCCSQVGLSA-N 1 1 349.826 0.902 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(n2ncc3c2CN(CC#N)C3)CC1 ZINC001070344634 783851528 /nfs/dbraw/zinc/85/15/28/783851528.db2.gz ULKCLBGZJTZYCQ-MRXNPFEDSA-N 1 1 342.447 0.980 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCc1ccncc1O[C@H]1CCN(CC#N)C1 ZINC001070385449 783928889 /nfs/dbraw/zinc/92/88/89/783928889.db2.gz USKAOBBYNKAQPK-JKSUJKDBSA-N 1 1 343.431 0.769 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCNC(=O)C2)c1 ZINC001038160652 783931476 /nfs/dbraw/zinc/93/14/76/783931476.db2.gz GXCNHQMITUATIB-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCNC(=O)C2)c1 ZINC001038160652 783931485 /nfs/dbraw/zinc/93/14/85/783931485.db2.gz GXCNHQMITUATIB-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001070394530 783953132 /nfs/dbraw/zinc/95/31/32/783953132.db2.gz KXANSYQHAHNNPO-OAHLLOKOSA-N 1 1 339.399 0.786 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COCCO2)C1 ZINC001070398010 783962962 /nfs/dbraw/zinc/96/29/62/783962962.db2.gz MVPQAORUUUHHJA-UKRRQHHQSA-N 1 1 334.420 0.807 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(CC)c2)C1 ZINC001070401880 783972620 /nfs/dbraw/zinc/97/26/20/783972620.db2.gz WLBNEKLRZRNXMI-CYBMUJFWSA-N 1 1 326.404 0.979 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)cn2)C1 ZINC001070403459 783979430 /nfs/dbraw/zinc/97/94/30/783979430.db2.gz SYYQKBCXGKPTCM-CYBMUJFWSA-N 1 1 326.404 0.886 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC001038201659 783990799 /nfs/dbraw/zinc/99/07/99/783990799.db2.gz OUHBBLDNZZBBFL-QGZVFWFLSA-N 1 1 326.400 0.727 20 30 ECEDMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001038201659 783990804 /nfs/dbraw/zinc/99/08/04/783990804.db2.gz OUHBBLDNZZBBFL-QGZVFWFLSA-N 1 1 326.400 0.727 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnnn2CC)C1 ZINC001070409297 783996686 /nfs/dbraw/zinc/99/66/86/783996686.db2.gz ADVJTOOPQBKLNY-GFCCVEGCSA-N 1 1 329.408 0.926 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001070409968 783998080 /nfs/dbraw/zinc/99/80/80/783998080.db2.gz QOBCVBPHDLTRTE-KGLIPLIRSA-N 1 1 343.431 0.317 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001070413036 784007458 /nfs/dbraw/zinc/00/74/58/784007458.db2.gz RDHIWGFHWDZASC-ZFWWWQNUSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001070418627 784023628 /nfs/dbraw/zinc/02/36/28/784023628.db2.gz TZPJCMJPVIJOKU-KBPBESRZSA-N 1 1 343.431 0.365 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001070419556 784025110 /nfs/dbraw/zinc/02/51/10/784025110.db2.gz BXDUESWMXLIDGZ-UKRRQHHQSA-N 1 1 343.431 0.459 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001070419762 784025836 /nfs/dbraw/zinc/02/58/36/784025836.db2.gz HXMHSUHSSGPKTC-OCCSQVGLSA-N 1 1 346.435 0.415 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001070419872 784028131 /nfs/dbraw/zinc/02/81/31/784028131.db2.gz KLCYYDCYFQJBCH-UKRRQHHQSA-N 1 1 343.431 0.459 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001070423252 784037296 /nfs/dbraw/zinc/03/72/96/784037296.db2.gz UORSKSVWBKNJFC-GXTWGEPZSA-N 1 1 346.435 0.463 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2c[nH]nc2[C@H]2CCN(CC#N)C2)C1 ZINC001070433810 784060414 /nfs/dbraw/zinc/06/04/14/784060414.db2.gz DWGPEAKEFUIZKM-ZFWWWQNUSA-N 1 1 346.435 0.059 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCc2c[nH]nc2[C@H]2CCN(CC#N)C2)C1 ZINC001070433810 784060421 /nfs/dbraw/zinc/06/04/21/784060421.db2.gz DWGPEAKEFUIZKM-ZFWWWQNUSA-N 1 1 346.435 0.059 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001070905408 784086811 /nfs/dbraw/zinc/08/68/11/784086811.db2.gz YFPCWIXPPLLTFW-HUUCEWRRSA-N 1 1 334.420 0.890 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001070905415 784087121 /nfs/dbraw/zinc/08/71/21/784087121.db2.gz YJARYRMKBLUPQS-DZGCQCFKSA-N 1 1 334.420 0.890 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C1=CCOCC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444555 784094294 /nfs/dbraw/zinc/09/42/94/784094294.db2.gz UECYSIQXWMWZGB-OAHLLOKOSA-N 1 1 343.431 0.874 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001070907767 784094774 /nfs/dbraw/zinc/09/47/74/784094774.db2.gz XYEGHIYPGQGRSL-CFVMTHIKSA-N 1 1 344.371 0.417 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001070907767 784094777 /nfs/dbraw/zinc/09/47/77/784094777.db2.gz XYEGHIYPGQGRSL-CFVMTHIKSA-N 1 1 344.371 0.417 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1[C@@H]3COC[C@@H]31)C[C@H]2c1nnc(C)[nH]1 ZINC001070448593 784104887 /nfs/dbraw/zinc/10/48/87/784104887.db2.gz YWLGNEAQBVOVHP-LJISPDSOSA-N 1 1 343.431 0.419 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070452597 784116899 /nfs/dbraw/zinc/11/68/99/784116899.db2.gz QKMZXOMJNCHMFX-CYBMUJFWSA-N 1 1 326.466 0.692 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2(CF)CC2)C1 ZINC001070922084 784119871 /nfs/dbraw/zinc/11/98/71/784119871.db2.gz ZWEVGIPZQONCLN-CABCVRRESA-N 1 1 335.423 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2(CF)CC2)C1 ZINC001070922084 784119875 /nfs/dbraw/zinc/11/98/75/784119875.db2.gz ZWEVGIPZQONCLN-CABCVRRESA-N 1 1 335.423 0.941 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)c2)CC1 ZINC001070938025 784164029 /nfs/dbraw/zinc/16/40/29/784164029.db2.gz AAJUGJRXCYBGMC-UHFFFAOYSA-N 1 1 333.436 0.650 20 30 ECEDMO CO[C@H](C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951291 784205376 /nfs/dbraw/zinc/20/53/76/784205376.db2.gz IILCYJSCOWPLLU-CYBMUJFWSA-N 1 1 347.419 0.185 20 30 ECEDMO CO[C@H](C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951291 784205382 /nfs/dbraw/zinc/20/53/82/784205382.db2.gz IILCYJSCOWPLLU-CYBMUJFWSA-N 1 1 347.419 0.185 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cccnc2)CC1 ZINC001070955172 784216295 /nfs/dbraw/zinc/21/62/95/784216295.db2.gz OGFMEJATAZGTJY-UHFFFAOYSA-N 1 1 328.416 0.298 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cccnc2)CC1 ZINC001070955172 784216298 /nfs/dbraw/zinc/21/62/98/784216298.db2.gz OGFMEJATAZGTJY-UHFFFAOYSA-N 1 1 328.416 0.298 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1c1cn(C)cn1 ZINC001070520802 784223966 /nfs/dbraw/zinc/22/39/66/784223966.db2.gz ICMVOPJOYVPKQX-GXTWGEPZSA-N 1 1 329.408 0.621 20 30 ECEDMO C[C@@H]1CC[C@H](C[N@@H+]2CCNC(=O)CCN(C(=O)C#CC3CC3)CC2)O1 ZINC001070962655 784240680 /nfs/dbraw/zinc/24/06/80/784240680.db2.gz YTZXCZLMCSCRBS-NVXWUHKLSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H]1CC[C@H](C[N@H+]2CCNC(=O)CCN(C(=O)C#CC3CC3)CC2)O1 ZINC001070962655 784240685 /nfs/dbraw/zinc/24/06/85/784240685.db2.gz YTZXCZLMCSCRBS-NVXWUHKLSA-N 1 1 347.459 0.618 20 30 ECEDMO N#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001070963429 784244323 /nfs/dbraw/zinc/24/43/23/784244323.db2.gz QPGUOQYCZPEDKO-JKSUJKDBSA-N 1 1 347.463 0.035 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nnc2C)CC1 ZINC001070968071 784260327 /nfs/dbraw/zinc/26/03/27/784260327.db2.gz MNWTZKRCYKLWOF-UHFFFAOYSA-N 1 1 345.447 0.934 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nnc2C)CC1 ZINC001070968071 784260335 /nfs/dbraw/zinc/26/03/35/784260335.db2.gz MNWTZKRCYKLWOF-UHFFFAOYSA-N 1 1 345.447 0.934 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001070974977 784287282 /nfs/dbraw/zinc/28/72/82/784287282.db2.gz AJKJRLKWOIYMHA-INIZCTEOSA-N 1 1 336.480 0.697 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC001070975498 784289070 /nfs/dbraw/zinc/28/90/70/784289070.db2.gz QMJYHRPHLUACMC-UHFFFAOYSA-N 1 1 346.406 0.437 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC001070975498 784289078 /nfs/dbraw/zinc/28/90/78/784289078.db2.gz QMJYHRPHLUACMC-UHFFFAOYSA-N 1 1 346.406 0.437 20 30 ECEDMO CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]c(C#N)c3)n[nH]2)O1 ZINC001070572763 784291982 /nfs/dbraw/zinc/29/19/82/784291982.db2.gz KBDFNHBHCUIBJY-QWHCGFSZSA-N 1 1 343.391 0.764 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC)O2)n1 ZINC001070575908 784297784 /nfs/dbraw/zinc/29/77/84/784297784.db2.gz VKMFURUSYTXBER-RFQIPJPRSA-N 1 1 349.435 0.842 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001070986438 784328815 /nfs/dbraw/zinc/32/88/15/784328815.db2.gz NFCDMOMOAZIWHH-MRXNPFEDSA-N 1 1 335.448 0.619 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCC(=O)N2)n1 ZINC001070595951 784405079 /nfs/dbraw/zinc/40/50/79/784405079.db2.gz RDQFIPWWMWOFLH-MELADBBJSA-N 1 1 347.419 0.376 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cncn2C)n1 ZINC001070598239 784410429 /nfs/dbraw/zinc/41/04/29/784410429.db2.gz UXZHUDGHMDXCTB-KBPBESRZSA-N 1 1 342.403 0.591 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2nonc2C)CC1 ZINC001071012830 784410543 /nfs/dbraw/zinc/41/05/43/784410543.db2.gz HPXAIYMQLVFZJZ-UHFFFAOYSA-N 1 1 335.408 0.147 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2nonc2C)CC1 ZINC001071012830 784410549 /nfs/dbraw/zinc/41/05/49/784410549.db2.gz HPXAIYMQLVFZJZ-UHFFFAOYSA-N 1 1 335.408 0.147 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2nonc2C)CC1 ZINC001071013080 784411186 /nfs/dbraw/zinc/41/11/86/784411186.db2.gz PMVCHBOCHYHTRZ-UHFFFAOYSA-N 1 1 349.435 0.537 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cncn2C)n1 ZINC001070604691 784423760 /nfs/dbraw/zinc/42/37/60/784423760.db2.gz UXZHUDGHMDXCTB-UONOGXRCSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cnn(C)c2)CC1 ZINC001071023328 784448845 /nfs/dbraw/zinc/44/88/45/784448845.db2.gz ZZMMGELAPCUXNO-UHFFFAOYSA-N 1 1 345.447 0.027 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cnn(C)c2)CC1 ZINC001071023328 784448852 /nfs/dbraw/zinc/44/88/52/784448852.db2.gz ZZMMGELAPCUXNO-UHFFFAOYSA-N 1 1 345.447 0.027 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001071052589 784486067 /nfs/dbraw/zinc/48/60/67/784486067.db2.gz DYZJUNGHRVGQIC-CYBMUJFWSA-N 1 1 326.466 0.692 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)C[C@H](C)O2 ZINC001071129832 784571370 /nfs/dbraw/zinc/57/13/70/784571370.db2.gz RNYWYZLVRKOPMS-MAUKXSAKSA-N 1 1 329.400 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)C[C@@H](C)O2 ZINC001071129833 784571980 /nfs/dbraw/zinc/57/19/80/784571980.db2.gz RNYWYZLVRKOPMS-QAPCUYQASA-N 1 1 329.400 0.649 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)C)C2)C1 ZINC001070707133 784574033 /nfs/dbraw/zinc/57/40/33/784574033.db2.gz XGEKYNBGJVSWHL-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)C)C2)C1 ZINC001070707133 784574042 /nfs/dbraw/zinc/57/40/42/784574042.db2.gz XGEKYNBGJVSWHL-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO Cn1cncc1[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC#N ZINC001070710572 784579499 /nfs/dbraw/zinc/57/94/99/784579499.db2.gz HSWKTYAVZJOBTF-RBSFLKMASA-N 1 1 330.436 0.169 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cc(C)n[nH]1)C[C@@H](C)O2 ZINC001071153886 784615864 /nfs/dbraw/zinc/61/58/64/784615864.db2.gz BLJMSOVFNRURAZ-QAPCUYQASA-N 1 1 330.432 0.976 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@H](C)O2 ZINC001071158935 784624689 /nfs/dbraw/zinc/62/46/89/784624689.db2.gz DVCUGQBCAUABHK-GUYCJALGSA-N 1 1 333.388 0.307 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CN=NC1=O)C[C@H](C)O2 ZINC001071160027 784629332 /nfs/dbraw/zinc/62/93/32/784629332.db2.gz WFIUCMYUYOQSQH-WMLDXEAASA-N 1 1 349.435 0.642 20 30 ECEDMO C#CCCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001070736087 784635631 /nfs/dbraw/zinc/63/56/31/784635631.db2.gz NZPYNHAGQJQCGD-MELADBBJSA-N 1 1 348.426 0.481 20 30 ECEDMO C#CCCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070736087 784635632 /nfs/dbraw/zinc/63/56/32/784635632.db2.gz NZPYNHAGQJQCGD-MELADBBJSA-N 1 1 348.426 0.481 20 30 ECEDMO C#CCCN1C[C@@H](F)C[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070736087 784635634 /nfs/dbraw/zinc/63/56/34/784635634.db2.gz NZPYNHAGQJQCGD-MELADBBJSA-N 1 1 348.426 0.481 20 30 ECEDMO C#CCCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070736087 784635638 /nfs/dbraw/zinc/63/56/38/784635638.db2.gz NZPYNHAGQJQCGD-MELADBBJSA-N 1 1 348.426 0.481 20 30 ECEDMO C#CCCN1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001070736087 784635646 /nfs/dbraw/zinc/63/56/46/784635646.db2.gz NZPYNHAGQJQCGD-MELADBBJSA-N 1 1 348.426 0.481 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001070752063 784650506 /nfs/dbraw/zinc/65/05/06/784650506.db2.gz APQNRCMQUXWSKZ-CQSZACIVSA-N 1 1 348.451 0.525 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc3[nH]cnc31)C[C@H](C)O2 ZINC001071173237 784658492 /nfs/dbraw/zinc/65/84/92/784658492.db2.gz FVDIOVBAHQVTLB-SCLBCKFNSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc3[nH]cnc31)C[C@H](C)O2 ZINC001071173237 784658501 /nfs/dbraw/zinc/65/85/01/784658501.db2.gz FVDIOVBAHQVTLB-SCLBCKFNSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)C[C@@H](C)O2 ZINC001071174210 784659713 /nfs/dbraw/zinc/65/97/13/784659713.db2.gz UVDBQJUUNVIFKM-RDTXWAMCSA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)C[C@@H](C)O2 ZINC001071174210 784659718 /nfs/dbraw/zinc/65/97/18/784659718.db2.gz UVDBQJUUNVIFKM-RDTXWAMCSA-N 1 1 328.416 0.768 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@H](C)O2 ZINC001071176364 784666932 /nfs/dbraw/zinc/66/69/32/784666932.db2.gz UXHVQUJMSCOWQF-GUYCJALGSA-N 1 1 332.404 0.767 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)C[C@@H](C)O2 ZINC001071185926 784689417 /nfs/dbraw/zinc/68/94/17/784689417.db2.gz NXEHMEFWWPDXGL-RDTXWAMCSA-N 1 1 344.415 0.604 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)C[C@@H](C)O2 ZINC001071185926 784689420 /nfs/dbraw/zinc/68/94/20/784689420.db2.gz NXEHMEFWWPDXGL-RDTXWAMCSA-N 1 1 344.415 0.604 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@H](C)O2 ZINC001071188869 784692738 /nfs/dbraw/zinc/69/27/38/784692738.db2.gz CBTXINVHOSEGMD-SCLBCKFNSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ncnc3[nH]ccc31)C[C@H](C)O2 ZINC001071187185 784693271 /nfs/dbraw/zinc/69/32/71/784693271.db2.gz ZEQJXRFQPSBNDM-SCLBCKFNSA-N 1 1 339.399 0.848 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ncnc3[nH]ccc31)C[C@H](C)O2 ZINC001071187185 784693275 /nfs/dbraw/zinc/69/32/75/784693275.db2.gz ZEQJXRFQPSBNDM-SCLBCKFNSA-N 1 1 339.399 0.848 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cc(C)nn1C)C[C@H](C)O2 ZINC001071189777 784695627 /nfs/dbraw/zinc/69/56/27/784695627.db2.gz PGTIFKZNXJSMBZ-QFBILLFUSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@@H](C)O2 ZINC001071189982 784696903 /nfs/dbraw/zinc/69/69/03/784696903.db2.gz RWVRAMBBBVCKLS-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071193162 784705896 /nfs/dbraw/zinc/70/58/96/784705896.db2.gz XSZYRMGLKTVHSA-ACJLOTCBSA-N 1 1 345.399 0.707 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)C1 ZINC001070811306 784707555 /nfs/dbraw/zinc/70/75/55/784707555.db2.gz LPEWHJCQLNEVNP-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)C1 ZINC001070811306 784707560 /nfs/dbraw/zinc/70/75/60/784707560.db2.gz LPEWHJCQLNEVNP-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1nccn1C)C[C@H](C)O2 ZINC001071194748 784710465 /nfs/dbraw/zinc/71/04/65/784710465.db2.gz NQCFRIWBGLSLMA-YJBOKZPZSA-N 1 1 330.432 0.678 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@H](C)O2 ZINC001071195407 784711937 /nfs/dbraw/zinc/71/19/37/784711937.db2.gz XNQWOBRMWGOVQG-WMLDXEAASA-N 1 1 333.436 0.718 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c(C)nn(C)c1C)C[C@@H](C)O2 ZINC001071195547 784713249 /nfs/dbraw/zinc/71/32/49/784713249.db2.gz ZGUJQRIEEHJNPC-KUHUBIRLSA-N 1 1 344.459 0.904 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@@H](C)O2 ZINC001071201416 784722952 /nfs/dbraw/zinc/72/29/52/784722952.db2.gz DSJPGOLIGWYCLB-DYVFJYSZSA-N 1 1 330.388 0.099 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@H](C)O2 ZINC001071201868 784725287 /nfs/dbraw/zinc/72/52/87/784725287.db2.gz MDSPGRLQOILXHP-SJCJKPOMSA-N 1 1 332.404 0.982 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccoc1CC(N)=O)C[C@H](C)O2 ZINC001071203512 784726631 /nfs/dbraw/zinc/72/66/31/784726631.db2.gz CJNPVZKKBJVSIG-SCLBCKFNSA-N 1 1 347.415 0.799 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)[nH]1)C[C@H](C)O2 ZINC001071209447 784740218 /nfs/dbraw/zinc/74/02/18/784740218.db2.gz KBWJZQXWMBWBCV-SUMWQHHRSA-N 1 1 332.404 0.454 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@H](C)O2 ZINC001071209447 784740223 /nfs/dbraw/zinc/74/02/23/784740223.db2.gz KBWJZQXWMBWBCV-SUMWQHHRSA-N 1 1 332.404 0.454 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@H](C)O2 ZINC001071209447 784740226 /nfs/dbraw/zinc/74/02/26/784740226.db2.gz KBWJZQXWMBWBCV-SUMWQHHRSA-N 1 1 332.404 0.454 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@@H](C)O2 ZINC001071212572 784748630 /nfs/dbraw/zinc/74/86/30/784748630.db2.gz ZUKCBWDSPDHULZ-FZKQIMNGSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn(C)nc1C)C[C@@H](C)O2 ZINC001071215899 784756176 /nfs/dbraw/zinc/75/61/76/784756176.db2.gz IVMNYDYKNBTEOU-DNVCBOLYSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cn(C)nc1C)C[C@@H](C)O2 ZINC001071215898 784756209 /nfs/dbraw/zinc/75/62/09/784756209.db2.gz IVMNYDYKNBTEOU-BEFAXECRSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@H](C)O2 ZINC001071218058 784760736 /nfs/dbraw/zinc/76/07/36/784760736.db2.gz IEEGUOCEGTVPCM-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)s1)C[C@@H](C)O2 ZINC001071218481 784761942 /nfs/dbraw/zinc/76/19/42/784761942.db2.gz NWYBFGLKQRTOEK-PXAZEXFGSA-N 1 1 347.440 0.786 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)s1)C[C@@H](C)O2 ZINC001071218481 784761951 /nfs/dbraw/zinc/76/19/51/784761951.db2.gz NWYBFGLKQRTOEK-PXAZEXFGSA-N 1 1 347.440 0.786 20 30 ECEDMO C#CCN1CC[C@]2(C1)CN(C(=O)COC1CC[NH+](C)CC1)C[C@H](C)O2 ZINC001071225680 784783389 /nfs/dbraw/zinc/78/33/89/784783389.db2.gz NUDIITXRIWCNRS-LPHOPBHVSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(OC)cc[nH]c1=O)C[C@@H](C)O2 ZINC001071227942 784787597 /nfs/dbraw/zinc/78/75/97/784787597.db2.gz MODROXMZZXDTJU-ACJLOTCBSA-N 1 1 345.399 0.734 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]cnc1C)C[C@H](C)O2 ZINC001071234310 784800693 /nfs/dbraw/zinc/80/06/93/784800693.db2.gz WZNROJCWSYWMHM-KSSFIOAISA-N 1 1 330.432 0.976 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001071236407 784803224 /nfs/dbraw/zinc/80/32/24/784803224.db2.gz UQTJQPCVTLUFLM-OXQOHEQNSA-N 1 1 342.439 0.895 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@@H](C)O2 ZINC001071243537 784820707 /nfs/dbraw/zinc/82/07/07/784820707.db2.gz HSRLCVCAVXRSSM-RDTXWAMCSA-N 1 1 348.447 0.605 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C(=O)C1 ZINC001071267052 784891455 /nfs/dbraw/zinc/89/14/55/784891455.db2.gz CWQMICHUHADTFS-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cnon3)C2)C(=O)C1 ZINC001071275806 784917549 /nfs/dbraw/zinc/91/75/49/784917549.db2.gz PWKJKVBLPVGTLZ-CYBMUJFWSA-N 1 1 333.392 0.395 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cnon3)C2)C(=O)C1 ZINC001071275806 784917551 /nfs/dbraw/zinc/91/75/51/784917551.db2.gz PWKJKVBLPVGTLZ-CYBMUJFWSA-N 1 1 333.392 0.395 20 30 ECEDMO CC#CCN1CCN([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C(=O)C1 ZINC001071277527 784924583 /nfs/dbraw/zinc/92/45/83/784924583.db2.gz XMCPBBIBOFVQJA-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CCn1cncn1 ZINC001071414466 785061825 /nfs/dbraw/zinc/06/18/25/785061825.db2.gz TYLIGXHNWRTOMT-JSGCOSHPSA-N 1 1 327.392 0.761 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CCn1cncn1 ZINC001071414468 785063156 /nfs/dbraw/zinc/06/31/56/785063156.db2.gz TYLIGXHNWRTOMT-TZMCWYRMSA-N 1 1 327.392 0.761 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@@H]1C ZINC001071891096 785279256 /nfs/dbraw/zinc/27/92/56/785279256.db2.gz WXDUYFSYUFNLAI-GJZGRUSLSA-N 1 1 348.451 0.724 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC[C@H]1C ZINC001071608704 785391315 /nfs/dbraw/zinc/39/13/15/785391315.db2.gz DBQTULQKDYGMAB-HIFRSBDPSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC[C@H]1C ZINC001071608704 785391324 /nfs/dbraw/zinc/39/13/24/785391324.db2.gz DBQTULQKDYGMAB-HIFRSBDPSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)CC[C@@H]1C ZINC001071642452 785436797 /nfs/dbraw/zinc/43/67/97/785436797.db2.gz QNIJEDGGAJZCBW-GOEBONIOSA-N 1 1 331.416 0.711 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@@H]1C ZINC001071968520 785437440 /nfs/dbraw/zinc/43/74/40/785437440.db2.gz VYKLZTVDFRRRRN-GJZGRUSLSA-N 1 1 345.447 0.374 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1C ZINC001071644626 785439329 /nfs/dbraw/zinc/43/93/29/785439329.db2.gz ATHUEYSKFVUXIU-NWDGAFQWSA-N 1 1 339.417 0.533 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071657469 785462028 /nfs/dbraw/zinc/46/20/28/785462028.db2.gz DVECNXDCKNJJDT-WCQYABFASA-N 1 1 335.433 0.411 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071658824 785465322 /nfs/dbraw/zinc/46/53/22/785465322.db2.gz PXRMJSAMUJZMED-DGCLKSJQSA-N 1 1 335.433 0.411 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C ZINC001071988802 785484730 /nfs/dbraw/zinc/48/47/30/785484730.db2.gz KXJQKVNZTHOBKW-STQMWFEESA-N 1 1 344.419 0.967 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)N(C)C)C2)cn1 ZINC001072001504 785506174 /nfs/dbraw/zinc/50/61/74/785506174.db2.gz DMXICSMNGWDGBG-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)N(C)C)C2)cn1 ZINC001072001504 785506177 /nfs/dbraw/zinc/50/61/77/785506177.db2.gz DMXICSMNGWDGBG-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCCCC2)CC[C@@H]1C ZINC001071735194 785610302 /nfs/dbraw/zinc/61/03/02/785610302.db2.gz HQGBHAJPSMLPHW-LSDHHAIUSA-N 1 1 330.436 0.935 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCCCC2)CC[C@@H]1C ZINC001071735194 785610307 /nfs/dbraw/zinc/61/03/07/785610307.db2.gz HQGBHAJPSMLPHW-LSDHHAIUSA-N 1 1 330.436 0.935 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC001072069628 785615397 /nfs/dbraw/zinc/61/53/97/785615397.db2.gz JYEAZIMZSAQEAX-LSDHHAIUSA-N 1 1 343.493 0.262 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001072136723 785730604 /nfs/dbraw/zinc/73/06/04/785730604.db2.gz ZNUJAGXKQVNBES-AAEUAGOBSA-N 1 1 335.433 0.411 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072283457 785971409 /nfs/dbraw/zinc/97/14/09/785971409.db2.gz SILXLLJPCBZLEY-CHWSQXEVSA-N 1 1 326.466 0.546 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001072354953 786068196 /nfs/dbraw/zinc/06/81/96/786068196.db2.gz PPWJOFVVYUGCGC-KBPBESRZSA-N 1 1 325.453 0.882 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072355699 786070965 /nfs/dbraw/zinc/07/09/65/786070965.db2.gz ZEVJQBHTCUKSIS-QWHCGFSZSA-N 1 1 340.493 0.937 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)C4CCOCC4)C3)C2)C1=O ZINC001072388796 786120710 /nfs/dbraw/zinc/12/07/10/786120710.db2.gz AWZRDNLOKSLJIX-INIZCTEOSA-N 1 1 347.459 0.734 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001072389774 786121808 /nfs/dbraw/zinc/12/18/08/786121808.db2.gz HNISBMXGVLOWRZ-GOEBONIOSA-N 1 1 333.432 0.085 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001072394039 786127130 /nfs/dbraw/zinc/12/71/30/786127130.db2.gz VVZUWCQDSFYCAP-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cc(C)on4)C3)C2)C1=O ZINC001072449440 786199114 /nfs/dbraw/zinc/19/91/14/786199114.db2.gz TZWKSJSBLZETTN-HNNXBMFYSA-N 1 1 344.415 0.918 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4CCC(=O)N4)C3)C2)s1 ZINC001072548313 786352231 /nfs/dbraw/zinc/35/22/31/786352231.db2.gz WXINDPYLAIUTBZ-CQSZACIVSA-N 1 1 344.440 0.933 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001072553356 786358487 /nfs/dbraw/zinc/35/84/87/786358487.db2.gz YGBPEYLBJJAZTM-CHWSQXEVSA-N 1 1 325.434 0.115 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccn4nnnc34)C[C@@H]21 ZINC001074251764 786520308 /nfs/dbraw/zinc/52/03/08/786520308.db2.gz CCRLDKUMGGIHPJ-GJZGRUSLSA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccn4nnnc34)C[C@@H]21 ZINC001074251764 786520314 /nfs/dbraw/zinc/52/03/14/786520314.db2.gz CCRLDKUMGGIHPJ-GJZGRUSLSA-N 1 1 342.403 0.616 20 30 ECEDMO C#CCCCC(=O)N1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001073572940 786648100 /nfs/dbraw/zinc/64/81/00/786648100.db2.gz QPDGMIBITQFKAA-INIZCTEOSA-N 1 1 346.475 0.097 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001073584800 786690860 /nfs/dbraw/zinc/69/08/60/786690860.db2.gz MEJKKRJEBCTMFQ-OAHLLOKOSA-N 1 1 349.479 0.233 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCN(C2CN(C(=O)C#CC(C)C)C2)CC1 ZINC001073602014 786750212 /nfs/dbraw/zinc/75/02/12/786750212.db2.gz QIXWAVYDWYLMLC-UHFFFAOYSA-N 1 1 348.491 0.343 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073630084 786812985 /nfs/dbraw/zinc/81/29/85/786812985.db2.gz MKGMPASFVPWIIG-GJZGRUSLSA-N 1 1 342.461 0.184 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073630084 786813001 /nfs/dbraw/zinc/81/30/01/786813001.db2.gz MKGMPASFVPWIIG-GJZGRUSLSA-N 1 1 342.461 0.184 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3ccncc23)C1 ZINC001073636751 786836419 /nfs/dbraw/zinc/83/64/19/786836419.db2.gz GNANZMGZYFNQPN-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3ccncc23)C1 ZINC001073636751 786836433 /nfs/dbraw/zinc/83/64/33/786836433.db2.gz GNANZMGZYFNQPN-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 ZINC001074399543 786856344 /nfs/dbraw/zinc/85/63/44/786856344.db2.gz GOWLTESSSSMEIB-HZPDHXFCSA-N 1 1 346.431 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 ZINC001074399543 786856353 /nfs/dbraw/zinc/85/63/53/786856353.db2.gz GOWLTESSSSMEIB-HZPDHXFCSA-N 1 1 346.431 0.662 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 ZINC001074402894 786867986 /nfs/dbraw/zinc/86/79/86/786867986.db2.gz NHFOZNLULRGWRA-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 ZINC001074402894 786867995 /nfs/dbraw/zinc/86/79/95/786867995.db2.gz NHFOZNLULRGWRA-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001073665590 786914122 /nfs/dbraw/zinc/91/41/22/786914122.db2.gz YMRWIMYHHNXCON-HNNXBMFYSA-N 1 1 343.431 0.531 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001073665590 786914129 /nfs/dbraw/zinc/91/41/29/786914129.db2.gz YMRWIMYHHNXCON-HNNXBMFYSA-N 1 1 343.431 0.531 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCn3nccc32)C1 ZINC001073667860 786919604 /nfs/dbraw/zinc/91/96/04/786919604.db2.gz PYUIVIXHXOYLAZ-HZPDHXFCSA-N 1 1 330.432 0.991 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC001073677727 786949197 /nfs/dbraw/zinc/94/91/97/786949197.db2.gz QJODGQMDKIVDQB-AWEZNQCLSA-N 1 1 332.404 0.510 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC001073677727 786949202 /nfs/dbraw/zinc/94/92/02/786949202.db2.gz QJODGQMDKIVDQB-AWEZNQCLSA-N 1 1 332.404 0.510 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001073687514 786971978 /nfs/dbraw/zinc/97/19/78/786971978.db2.gz UAIRMXRELIPULY-LSDHHAIUSA-N 1 1 338.452 0.560 20 30 ECEDMO CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700511 787000691 /nfs/dbraw/zinc/00/06/91/787000691.db2.gz OGMSMPDVMMTZOI-ISXWCOSWSA-N 1 1 347.459 0.080 20 30 ECEDMO CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700511 787000700 /nfs/dbraw/zinc/00/07/00/787000700.db2.gz OGMSMPDVMMTZOI-ISXWCOSWSA-N 1 1 347.459 0.080 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001073713162 787029686 /nfs/dbraw/zinc/02/96/86/787029686.db2.gz UZNKCXUUMZECPT-CQSZACIVSA-N 1 1 343.391 0.064 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001073716954 787042115 /nfs/dbraw/zinc/04/21/15/787042115.db2.gz RGNJJCCMRGKOKD-HNNXBMFYSA-N 1 1 342.403 0.669 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 ZINC001073742634 787100787 /nfs/dbraw/zinc/10/07/87/787100787.db2.gz AIFAHTGYGSFPFH-CYBMUJFWSA-N 1 1 335.404 0.704 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001073743313 787101988 /nfs/dbraw/zinc/10/19/88/787101988.db2.gz SIUJHPQNWUKVLY-ZDUSSCGKSA-N 1 1 342.403 0.207 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001073743313 787101998 /nfs/dbraw/zinc/10/19/98/787101998.db2.gz SIUJHPQNWUKVLY-ZDUSSCGKSA-N 1 1 342.403 0.207 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001073766341 787161049 /nfs/dbraw/zinc/16/10/49/787161049.db2.gz CBIADWPFWCHECZ-ZDUSSCGKSA-N 1 1 334.420 0.901 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001073795831 787217212 /nfs/dbraw/zinc/21/72/12/787217212.db2.gz FVWHVXHOCYPPDD-CYBMUJFWSA-N 1 1 328.372 0.722 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001073795831 787217218 /nfs/dbraw/zinc/21/72/18/787217218.db2.gz FVWHVXHOCYPPDD-CYBMUJFWSA-N 1 1 328.372 0.722 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3cccnn32)C1 ZINC001073801307 787229541 /nfs/dbraw/zinc/22/95/41/787229541.db2.gz GYIQJXHSRLADNC-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)OC)CCCO2)nn1 ZINC001073807416 787239048 /nfs/dbraw/zinc/23/90/48/787239048.db2.gz OGIAPMVXBGUXOS-UONOGXRCSA-N 1 1 337.424 0.320 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001073815926 787250802 /nfs/dbraw/zinc/25/08/02/787250802.db2.gz PHVCWGKMWODKQR-CQSZACIVSA-N 1 1 345.403 0.832 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)c3cnc(C)[nH]3)[C@H]2C)C1=O ZINC001074567059 787276786 /nfs/dbraw/zinc/27/67/86/787276786.db2.gz SRXKLJOJJRHKDH-FPMFFAJLSA-N 1 1 331.420 0.698 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCO[C@H](CNC(=O)c3cnon3)C2)c1 ZINC001073827988 787290827 /nfs/dbraw/zinc/29/08/27/787290827.db2.gz CEIJHFRVIYWDJH-OAHLLOKOSA-N 1 1 341.371 0.962 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCO[C@H](CNC(=O)c3cnon3)C2)c1 ZINC001073827988 787290832 /nfs/dbraw/zinc/29/08/32/787290832.db2.gz CEIJHFRVIYWDJH-OAHLLOKOSA-N 1 1 341.371 0.962 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn3nccc3nc2C)C1 ZINC001073839062 787321922 /nfs/dbraw/zinc/32/19/22/787321922.db2.gz IHPQIEPRAXYFKP-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001073848195 787348807 /nfs/dbraw/zinc/34/88/07/787348807.db2.gz SCSBTLGKTQHZNR-CABCVRRESA-N 1 1 349.435 0.636 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(-c3nccs3)c2)C1 ZINC001073853675 787366351 /nfs/dbraw/zinc/36/63/51/787366351.db2.gz LJBMWBPOLSSLET-AWEZNQCLSA-N 1 1 345.428 0.783 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(-c3nccs3)c2)C1 ZINC001073853675 787366363 /nfs/dbraw/zinc/36/63/63/787366363.db2.gz LJBMWBPOLSSLET-AWEZNQCLSA-N 1 1 345.428 0.783 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073861589 787387698 /nfs/dbraw/zinc/38/76/98/787387698.db2.gz FSCGCODSSOWTSM-OAHLLOKOSA-N 1 1 347.415 0.297 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@H](C)C(=O)NC)CCCO2)cn1 ZINC001073865280 787399442 /nfs/dbraw/zinc/39/94/42/787399442.db2.gz DYXIYSPNTRWRCK-CJNGLKHVSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@H](C)C(=O)NC)CCCO2)cn1 ZINC001073865280 787399450 /nfs/dbraw/zinc/39/94/50/787399450.db2.gz DYXIYSPNTRWRCK-CJNGLKHVSA-N 1 1 344.415 0.018 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001073873749 787416721 /nfs/dbraw/zinc/41/67/21/787416721.db2.gz ISQMSQNBNFDJIH-MRXNPFEDSA-N 1 1 336.436 0.926 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001073876420 787419646 /nfs/dbraw/zinc/41/96/46/787419646.db2.gz BUJRKVVAMVDHBM-AWEZNQCLSA-N 1 1 344.419 0.748 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2noc3c2COCC3)C1 ZINC001073896214 787464289 /nfs/dbraw/zinc/46/42/89/787464289.db2.gz NNVTVRODXMPDRZ-CYBMUJFWSA-N 1 1 333.388 0.591 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001073896587 787466343 /nfs/dbraw/zinc/46/63/43/787466343.db2.gz VSXPILBXFGGXFU-ZIAGYGMSSA-N 1 1 330.450 0.347 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001073896587 787466349 /nfs/dbraw/zinc/46/63/49/787466349.db2.gz VSXPILBXFGGXFU-ZIAGYGMSSA-N 1 1 330.450 0.347 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3nnn(C)c32)C1 ZINC001073914134 787517240 /nfs/dbraw/zinc/51/72/40/787517240.db2.gz KARIEUNKQDIBQB-AWEZNQCLSA-N 1 1 341.415 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)c3[nH]nnc3C)[C@H]2C)C1=O ZINC001074785963 787817978 /nfs/dbraw/zinc/81/79/78/787817978.db2.gz JOOSQGLSPXZLJF-RWMBFGLXSA-N 1 1 332.408 0.093 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C3=NC(=O)N(C)C3)[C@H]2C)C1=O ZINC001074855627 788444266 /nfs/dbraw/zinc/44/42/66/788444266.db2.gz MSJKRWQKLJSJNP-RWMBFGLXSA-N 1 1 347.419 0.105 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072635854 788475841 /nfs/dbraw/zinc/47/58/41/788475841.db2.gz YAPXCWHTNSABLR-GFCCVEGCSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCCNC2=O)C3)[nH]1 ZINC001072635419 788476978 /nfs/dbraw/zinc/47/69/78/788476978.db2.gz QSLZQHXOJGIEIG-CQSZACIVSA-N 1 1 327.388 0.313 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H](OC)C4CC4)C3)C2)C1=O ZINC001072687475 788595947 /nfs/dbraw/zinc/59/59/47/788595947.db2.gz XHXXHSBVSMIHNJ-CVEARBPZSA-N 1 1 347.459 0.733 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C2)C1 ZINC001072738132 788676500 /nfs/dbraw/zinc/67/65/00/788676500.db2.gz HDCQFZHOADSKDI-UHFFFAOYSA-N 1 1 331.416 0.329 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C)nn1 ZINC001072742713 788693079 /nfs/dbraw/zinc/69/30/79/788693079.db2.gz UHWIIWQZRLNVQS-KBPBESRZSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(=O)NC)C2 ZINC001072814368 788869543 /nfs/dbraw/zinc/86/95/43/788869543.db2.gz BNEVQPOFWXLCRR-CQSZACIVSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)Cn3nnc(-c4ccco4)n3)C2)C1 ZINC001072886617 789029641 /nfs/dbraw/zinc/02/96/41/789029641.db2.gz XQCICQYWHLOWPX-UHFFFAOYSA-N 1 1 340.387 0.491 20 30 ECEDMO C#CCC[N@H+]1CCC2(CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C2)C1 ZINC001072900808 789070590 /nfs/dbraw/zinc/07/05/90/789070590.db2.gz ICJUGLHPJKOLNB-UHFFFAOYSA-N 1 1 344.459 0.933 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)C2)C1 ZINC001072900808 789070596 /nfs/dbraw/zinc/07/05/96/789070596.db2.gz ICJUGLHPJKOLNB-UHFFFAOYSA-N 1 1 344.459 0.933 20 30 ECEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001072903263 789076914 /nfs/dbraw/zinc/07/69/14/789076914.db2.gz WEZDDLPAXAEROD-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001072903263 789076926 /nfs/dbraw/zinc/07/69/26/789076926.db2.gz WEZDDLPAXAEROD-CQSZACIVSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001073027668 789301538 /nfs/dbraw/zinc/30/15/38/789301538.db2.gz OYJHYWQCYUMSAX-UHFFFAOYSA-N 1 1 346.431 0.729 20 30 ECEDMO C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3[nH]nnc3C)CC2)C1 ZINC001075392756 789319184 /nfs/dbraw/zinc/31/91/84/789319184.db2.gz JVQYXVZTINWXEN-HUUCEWRRSA-N 1 1 331.420 0.736 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)C1 ZINC001073051248 789348734 /nfs/dbraw/zinc/34/87/34/789348734.db2.gz VHIKRKGJJGHAIW-IAGOWNOFSA-N 1 1 342.443 0.846 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)C#CC(C)C)CC2)C1 ZINC001073065874 789378658 /nfs/dbraw/zinc/37/86/58/789378658.db2.gz ZBNHJDKNTDVZTE-INIZCTEOSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)C#CC(C)C)CC2)C1 ZINC001073065874 789378669 /nfs/dbraw/zinc/37/86/69/789378669.db2.gz ZBNHJDKNTDVZTE-INIZCTEOSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073107565 789452106 /nfs/dbraw/zinc/45/21/06/789452106.db2.gz UQUJWARWHWEDIC-HNNXBMFYSA-N 1 1 338.473 0.759 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@H](CC)C(N)=O)C3)nc1 ZINC001073138039 789512585 /nfs/dbraw/zinc/51/25/85/789512585.db2.gz YKJODNNSWOBEFC-OAHLLOKOSA-N 1 1 326.400 0.475 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001073150403 789530879 /nfs/dbraw/zinc/53/08/79/789530879.db2.gz VAOBFDVEGBSCMG-HNNXBMFYSA-N 1 1 341.477 0.569 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001073152523 789536269 /nfs/dbraw/zinc/53/62/69/789536269.db2.gz HUTNODFOQXHZMR-QGZVFWFLSA-N 1 1 337.423 0.633 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC001075616215 789574759 /nfs/dbraw/zinc/57/47/59/789574759.db2.gz MMPKLHUCCLZFGA-RWMBFGLXSA-N 1 1 347.419 0.009 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075621202 789581561 /nfs/dbraw/zinc/58/15/61/789581561.db2.gz RSJJHOCWUWSSIG-VHDGCEQUSA-N 1 1 339.461 0.504 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075621202 789581569 /nfs/dbraw/zinc/58/15/69/789581569.db2.gz RSJJHOCWUWSSIG-VHDGCEQUSA-N 1 1 339.461 0.504 20 30 ECEDMO CN1CCC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC001075658533 789624293 /nfs/dbraw/zinc/62/42/93/789624293.db2.gz GVWSDXCXQKFEJQ-CWRNSKLLSA-N 1 1 341.415 0.653 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001073256059 789662258 /nfs/dbraw/zinc/66/22/58/789662258.db2.gz LQGGQLABSLSKNV-HNNXBMFYSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H](C)OC)C(C)(C)C1 ZINC001073332127 789740364 /nfs/dbraw/zinc/74/03/64/789740364.db2.gz VYXCUCOLPVMFLY-OWCLPIDISA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H](C)OC)C(C)(C)C1 ZINC001073332127 789740368 /nfs/dbraw/zinc/74/03/68/789740368.db2.gz VYXCUCOLPVMFLY-OWCLPIDISA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001073355463 789756649 /nfs/dbraw/zinc/75/66/49/789756649.db2.gz NSIXJJQWOYUERQ-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001073355463 789756652 /nfs/dbraw/zinc/75/66/52/789756652.db2.gz NSIXJJQWOYUERQ-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001073355761 789757540 /nfs/dbraw/zinc/75/75/40/789757540.db2.gz UXTXTLUORWVMMU-HOTGVXAUSA-N 1 1 349.475 0.720 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001073355761 789757544 /nfs/dbraw/zinc/75/75/44/789757544.db2.gz UXTXTLUORWVMMU-HOTGVXAUSA-N 1 1 349.475 0.720 20 30 ECEDMO C=C(Cl)CN1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073447438 789854030 /nfs/dbraw/zinc/85/40/30/789854030.db2.gz SJJSCGKQAXOXID-CQSZACIVSA-N 1 1 327.856 0.994 20 30 ECEDMO C=C(Cl)CN1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073447438 789854035 /nfs/dbraw/zinc/85/40/35/789854035.db2.gz SJJSCGKQAXOXID-CQSZACIVSA-N 1 1 327.856 0.994 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 ZINC001069830842 790064564 /nfs/dbraw/zinc/06/45/64/790064564.db2.gz HVVUGJFKQHSXBN-DZGCQCFKSA-N 1 1 340.431 0.799 20 30 ECEDMO C=C(C)C[NH2+][C@H]1CCN(c2cccc(CNC(=O)c3ncn[nH]3)n2)C1 ZINC001069839987 790073559 /nfs/dbraw/zinc/07/35/59/790073559.db2.gz NMTZVVRRVJUFDM-AWEZNQCLSA-N 1 1 341.419 0.874 20 30 ECEDMO C=C(C)C[NH2+][C@H]1CCN(c2cccc(CNC(=O)c3nc[nH]n3)n2)C1 ZINC001069839987 790073562 /nfs/dbraw/zinc/07/35/62/790073562.db2.gz NMTZVVRRVJUFDM-AWEZNQCLSA-N 1 1 341.419 0.874 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069893302 790161886 /nfs/dbraw/zinc/16/18/86/790161886.db2.gz QRAAPCLJIPYTKQ-CVEARBPZSA-N 1 1 341.419 0.998 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069902727 790171872 /nfs/dbraw/zinc/17/18/72/790171872.db2.gz LPVNJTWXIVNQFF-CABCVRRESA-N 1 1 329.408 0.551 20 30 ECEDMO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069908903 790178207 /nfs/dbraw/zinc/17/82/07/790178207.db2.gz WKVDQIWYSUQQBH-GLQYFDAESA-N 1 1 343.391 0.168 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069909431 790178720 /nfs/dbraw/zinc/17/87/20/790178720.db2.gz XYRGIIAVQSYGEB-KFWWJZLASA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001069913250 790182293 /nfs/dbraw/zinc/18/22/93/790182293.db2.gz XNYXVGUPMCCZLB-CVEARBPZSA-N 1 1 346.435 0.064 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069926092 790196914 /nfs/dbraw/zinc/19/69/14/790196914.db2.gz NANUTFGGESSUPL-CABCVRRESA-N 1 1 327.392 0.608 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069937910 790211499 /nfs/dbraw/zinc/21/14/99/790211499.db2.gz UWKMBXRBAYOGDQ-ZBFHGGJFSA-N 1 1 341.419 0.734 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069937910 790211504 /nfs/dbraw/zinc/21/15/04/790211504.db2.gz UWKMBXRBAYOGDQ-ZBFHGGJFSA-N 1 1 341.419 0.734 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069942104 790217501 /nfs/dbraw/zinc/21/75/01/790217501.db2.gz NBCANPHIGWLLJW-CVEARBPZSA-N 1 1 343.435 0.480 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069942104 790217502 /nfs/dbraw/zinc/21/75/02/790217502.db2.gz NBCANPHIGWLLJW-CVEARBPZSA-N 1 1 343.435 0.480 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@@H]1n1ccnn1 ZINC001069949262 790228786 /nfs/dbraw/zinc/22/87/86/790228786.db2.gz NQDQASMLGFABLW-IKGGRYGDSA-N 1 1 344.463 0.373 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)C[C@H](NC(=O)C#CC2CC2)CO3)C1 ZINC001068860706 791287545 /nfs/dbraw/zinc/28/75/45/791287545.db2.gz PWHWWVBGSDFXPB-HOTGVXAUSA-N 1 1 345.443 0.228 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001068862701 791292733 /nfs/dbraw/zinc/29/27/33/791292733.db2.gz GWSAOLWTULUZLX-GDBMZVCRSA-N 1 1 345.443 0.370 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068911425 791401304 /nfs/dbraw/zinc/40/13/04/791401304.db2.gz ARXVLMFREFTJPF-HNNXBMFYSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001068949744 791486972 /nfs/dbraw/zinc/48/69/72/791486972.db2.gz KSSQUUISOITKQL-AWEZNQCLSA-N 1 1 346.431 0.890 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNc3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001066685684 791984667 /nfs/dbraw/zinc/98/46/67/791984667.db2.gz CKESOPRJBASWDP-BPLDGKMQSA-N 1 1 344.419 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2ncc(F)cn2)C1 ZINC001066688076 791993316 /nfs/dbraw/zinc/99/33/16/791993316.db2.gz TZOWDEOYFRUHBY-CABCVRRESA-N 1 1 347.394 0.353 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNc2ncc(F)cn2)C1 ZINC001066688076 791993323 /nfs/dbraw/zinc/99/33/23/791993323.db2.gz TZOWDEOYFRUHBY-CABCVRRESA-N 1 1 347.394 0.353 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2nc(C)ns2)C1 ZINC001066688078 791993334 /nfs/dbraw/zinc/99/33/34/791993334.db2.gz TZQQTFVTUOZYGK-KBPBESRZSA-N 1 1 349.460 0.583 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2nc(C)ns2)C1 ZINC001066688078 791993340 /nfs/dbraw/zinc/99/33/40/791993340.db2.gz TZQQTFVTUOZYGK-KBPBESRZSA-N 1 1 349.460 0.583 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](CNc2cncc(C#N)n2)C1 ZINC001066690318 791999827 /nfs/dbraw/zinc/99/98/27/791999827.db2.gz GHBBKVJCOSIWHC-LSDHHAIUSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(Nc3cncc(C#N)n3)C2)C1 ZINC001066905919 792338496 /nfs/dbraw/zinc/33/84/96/792338496.db2.gz FWXXBDZHPLZQOF-CXAGYDPISA-N 1 1 344.419 0.065 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(Nc3ccc(C#N)cn3)C2)C1 ZINC001066906301 792341011 /nfs/dbraw/zinc/34/10/11/792341011.db2.gz PUCXKHBELJDJJD-YJBOKZPZSA-N 1 1 343.431 0.670 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067853465 792375283 /nfs/dbraw/zinc/37/52/83/792375283.db2.gz KSUGVOYVDUQEHC-NRXISQOPSA-N 1 1 342.447 0.951 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CC(CNc3cncc(C#N)n3)C2)CC[N@H+]1C ZINC001067894171 792433660 /nfs/dbraw/zinc/43/36/60/792433660.db2.gz RRHDSCYDCHIGOJ-XZNOPERXSA-N 1 1 328.420 0.995 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC[C@H]1C ZINC001067979382 792536815 /nfs/dbraw/zinc/53/68/15/792536815.db2.gz BBZOWVCKSWHNJK-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001067001041 792544394 /nfs/dbraw/zinc/54/43/94/792544394.db2.gz KEMWFQKCZBYMRB-GJZGRUSLSA-N 1 1 325.453 0.694 20 30 ECEDMO C=CCCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001067081527 792678969 /nfs/dbraw/zinc/67/89/69/792678969.db2.gz QRBIMCLNOAKFHL-OAHLLOKOSA-N 1 1 341.452 0.217 20 30 ECEDMO C=CCCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001067081527 792678976 /nfs/dbraw/zinc/67/89/76/792678976.db2.gz QRBIMCLNOAKFHL-OAHLLOKOSA-N 1 1 341.452 0.217 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC1(C)C ZINC001068112250 792691701 /nfs/dbraw/zinc/69/17/01/792691701.db2.gz MJGIKBPXMNILLV-CQSZACIVSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncc(F)cn3)C[C@H]21 ZINC001068208324 792829755 /nfs/dbraw/zinc/82/97/55/792829755.db2.gz JATKDJHVBMNXOG-JONQDZQNSA-N 1 1 343.406 0.512 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncc(F)cn3)C[C@H]21 ZINC001068208324 792829766 /nfs/dbraw/zinc/82/97/66/792829766.db2.gz JATKDJHVBMNXOG-JONQDZQNSA-N 1 1 343.406 0.512 20 30 ECEDMO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)C(N)=O)CC1 ZINC001068246861 792929441 /nfs/dbraw/zinc/92/94/41/792929441.db2.gz LGVGDKCKQPIAKY-GASCZTMLSA-N 1 1 348.447 0.104 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)C#CC1CC1 ZINC001067380591 793062808 /nfs/dbraw/zinc/06/28/08/793062808.db2.gz PSKVBPVHVDTJGO-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068348653 793097913 /nfs/dbraw/zinc/09/79/13/793097913.db2.gz WKYCGPISVUMTSY-HUUCEWRRSA-N 1 1 335.448 0.733 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1C ZINC001067400394 793100393 /nfs/dbraw/zinc/10/03/93/793100393.db2.gz CLBQZXUVBFQWNU-TZMCWYRMSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1C ZINC001067400818 793100906 /nfs/dbraw/zinc/10/09/06/793100906.db2.gz GNIICZUBBCJDFO-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001067402258 793103576 /nfs/dbraw/zinc/10/35/76/793103576.db2.gz VFLCDDBMOFHDLA-GXTWGEPZSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1C ZINC001067402261 793103732 /nfs/dbraw/zinc/10/37/32/793103732.db2.gz VFLCDDBMOFHDLA-TZMCWYRMSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001067430370 793145469 /nfs/dbraw/zinc/14/54/69/793145469.db2.gz DUBSKVHMBMQCGC-OWCLPIDISA-N 1 1 337.464 0.672 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068437641 793313704 /nfs/dbraw/zinc/31/37/04/793313704.db2.gz BIJTXSIDKCCVIN-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCS(N)(=O)=O)C1 ZINC001267481017 837533454 /nfs/dbraw/zinc/53/34/54/837533454.db2.gz DOYUTLZLLQBNOT-AWEZNQCLSA-N 1 1 329.466 0.391 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001267482730 837540197 /nfs/dbraw/zinc/54/01/97/837540197.db2.gz NIACZEGLURIHHI-QWHCGFSZSA-N 1 1 333.436 0.931 20 30 ECEDMO Cc1cccnc1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267513737 837607008 /nfs/dbraw/zinc/60/70/08/837607008.db2.gz NSLQJOJQCBADHB-CQSZACIVSA-N 1 1 329.404 0.472 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cncnc2)C1 ZINC001267525006 837687172 /nfs/dbraw/zinc/68/71/72/837687172.db2.gz XJRUJFLAYCBZNE-ZIAGYGMSSA-N 1 1 331.420 0.609 20 30 ECEDMO CCCN(C(=O)CNC(=O)C1CC1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267537629 837717243 /nfs/dbraw/zinc/71/72/43/837717243.db2.gz KHKKWVIVSKQETI-MRXNPFEDSA-N 1 1 335.448 0.475 20 30 ECEDMO CCCN(C(=O)CNC(=O)C1CC1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267537629 837717248 /nfs/dbraw/zinc/71/72/48/837717248.db2.gz KHKKWVIVSKQETI-MRXNPFEDSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CCC)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001267539635 837722685 /nfs/dbraw/zinc/72/26/85/837722685.db2.gz IQXSUJUVEAUQHK-MAUKXSAKSA-N 1 1 337.464 0.859 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001267539635 837722693 /nfs/dbraw/zinc/72/26/93/837722693.db2.gz IQXSUJUVEAUQHK-MAUKXSAKSA-N 1 1 337.464 0.859 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001267550658 837751317 /nfs/dbraw/zinc/75/13/17/837751317.db2.gz CBTYACFHUVRMOK-STQMWFEESA-N 1 1 347.419 0.315 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001267553369 837756890 /nfs/dbraw/zinc/75/68/90/837756890.db2.gz FWIAILCVPHQQIM-KGLIPLIRSA-N 1 1 341.415 0.466 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccnc(F)c2)C1 ZINC001267556752 837764668 /nfs/dbraw/zinc/76/46/68/837764668.db2.gz YBJZPEIIELYCBC-GFCCVEGCSA-N 1 1 333.367 0.302 20 30 ECEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001267558918 837767075 /nfs/dbraw/zinc/76/70/75/837767075.db2.gz JXCSJDMERDLXPA-HNNXBMFYSA-N 1 1 348.447 0.341 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](OC)C2CCC2)C1 ZINC001267560167 837768974 /nfs/dbraw/zinc/76/89/74/837768974.db2.gz DMCKYSZCMZTSOR-RHSMWYFYSA-N 1 1 335.448 0.379 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)C2(COC)CCC2)C1 ZINC001267560698 837771473 /nfs/dbraw/zinc/77/14/73/837771473.db2.gz LOYOKWGELJABHI-CVEARBPZSA-N 1 1 349.475 0.769 20 30 ECEDMO COc1ncccc1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267563757 837777764 /nfs/dbraw/zinc/77/77/64/837777764.db2.gz FLKXKHHAXTXGNV-ZDUSSCGKSA-N 1 1 345.403 0.172 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(Cl)cn2)C1 ZINC001267568251 837790378 /nfs/dbraw/zinc/79/03/78/837790378.db2.gz VIRBPLNRBNUNHY-GFCCVEGCSA-N 1 1 349.822 0.817 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2Cc3ccccc32)C1 ZINC001267569923 837799720 /nfs/dbraw/zinc/79/97/20/837799720.db2.gz FPLJSBSHCDOIRN-YJBOKZPZSA-N 1 1 339.439 0.904 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CCNC(=O)CNC(=O)NCc2ccco2)C1 ZINC001267571597 837805557 /nfs/dbraw/zinc/80/55/57/837805557.db2.gz OPXQRTOUVLHYEN-AWEZNQCLSA-N 1 1 332.404 0.540 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cc(C)cn3ccnc23)CC1 ZINC001267573553 837816502 /nfs/dbraw/zinc/81/65/02/837816502.db2.gz UAYLJLVNLBZOLP-UHFFFAOYSA-N 1 1 339.443 0.966 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)C2(C(=O)NC)CCC2)CC1 ZINC001267575718 837828695 /nfs/dbraw/zinc/82/86/95/837828695.db2.gz IJSYTGIOZJGWTG-UHFFFAOYSA-N 1 1 334.464 0.002 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001267576732 837830732 /nfs/dbraw/zinc/83/07/32/837830732.db2.gz XFGDFWQHCJULHD-CYBMUJFWSA-N 1 1 334.420 0.102 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCNC(=O)C3CC3)C2)cn1 ZINC001266246224 835551200 /nfs/dbraw/zinc/55/12/00/835551200.db2.gz MJZUVHLDUFNVDA-QGZVFWFLSA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCNC(=O)C3CC3)C2)cn1 ZINC001266246224 835551204 /nfs/dbraw/zinc/55/12/04/835551204.db2.gz MJZUVHLDUFNVDA-QGZVFWFLSA-N 1 1 340.427 0.783 20 30 ECEDMO C#CCCCCC(=O)NCCC[NH+]1CCN([C@@H]2CCNC2=O)CC1 ZINC001266262102 835572090 /nfs/dbraw/zinc/57/20/90/835572090.db2.gz CHJMJDDEPUHGRV-MRXNPFEDSA-N 1 1 334.464 0.192 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(Cc2ccon2)CC1 ZINC001266272938 835595075 /nfs/dbraw/zinc/59/50/75/835595075.db2.gz CEOMGEPFDAPDIP-SJORKVTESA-N 1 1 348.447 0.890 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)CC(=O)N1CCC(C)CC1 ZINC001266284546 835617753 /nfs/dbraw/zinc/61/77/53/835617753.db2.gz FZMQASHQVWDBTE-KRWDZBQOSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CC(=O)N1CCC(C)CC1 ZINC001266284546 835617758 /nfs/dbraw/zinc/61/77/58/835617758.db2.gz FZMQASHQVWDBTE-KRWDZBQOSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc2n[nH]cc2c1 ZINC001266297578 835647181 /nfs/dbraw/zinc/64/71/81/835647181.db2.gz OWVVQQIVFQDYHA-CYBMUJFWSA-N 1 1 341.415 0.291 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1ccc2n[nH]cc2c1 ZINC001266297578 835647187 /nfs/dbraw/zinc/64/71/87/835647187.db2.gz OWVVQQIVFQDYHA-CYBMUJFWSA-N 1 1 341.415 0.291 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)[C@@]2(C)OCCc3ccccc32)CC1 ZINC001266298828 835654541 /nfs/dbraw/zinc/65/45/41/835654541.db2.gz JDBXAWFFUWOLFD-FQEVSTJZSA-N 1 1 341.455 0.842 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C[C@H](C)n2ccc(C)n2)C1=O ZINC001266306507 835670956 /nfs/dbraw/zinc/67/09/56/835670956.db2.gz UWWBZNLFUYNKOM-JKSUJKDBSA-N 1 1 347.463 0.978 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C[C@H](C)n2ccc(C)n2)C1=O ZINC001266306507 835670960 /nfs/dbraw/zinc/67/09/60/835670960.db2.gz UWWBZNLFUYNKOM-JKSUJKDBSA-N 1 1 347.463 0.978 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)NCC[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001266314285 835681924 /nfs/dbraw/zinc/68/19/24/835681924.db2.gz VKIMNDGIENEYNQ-MRXNPFEDSA-N 1 1 331.391 0.846 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)NCC[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001266314285 835681932 /nfs/dbraw/zinc/68/19/32/835681932.db2.gz VKIMNDGIENEYNQ-MRXNPFEDSA-N 1 1 331.391 0.846 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001266330176 835712288 /nfs/dbraw/zinc/71/22/88/835712288.db2.gz BWHDVMRBEZRLDP-GFCCVEGCSA-N 1 1 329.356 0.987 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001266330176 835712292 /nfs/dbraw/zinc/71/22/92/835712292.db2.gz BWHDVMRBEZRLDP-GFCCVEGCSA-N 1 1 329.356 0.987 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001266332956 835715274 /nfs/dbraw/zinc/71/52/74/835715274.db2.gz DMNPQVVUEQMPNB-CYBMUJFWSA-N 1 1 332.404 0.510 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001266332956 835715278 /nfs/dbraw/zinc/71/52/78/835715278.db2.gz DMNPQVVUEQMPNB-CYBMUJFWSA-N 1 1 332.404 0.510 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001266333656 835716405 /nfs/dbraw/zinc/71/64/05/835716405.db2.gz RMXNVTKCUVSHQZ-WCQYABFASA-N 1 1 344.423 0.853 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnn2ccccc12 ZINC001266340201 835725553 /nfs/dbraw/zinc/72/55/53/835725553.db2.gz NSSSXZBYGIUDDR-CYBMUJFWSA-N 1 1 327.388 0.134 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn2ccccc12 ZINC001266340201 835725559 /nfs/dbraw/zinc/72/55/59/835725559.db2.gz NSSSXZBYGIUDDR-CYBMUJFWSA-N 1 1 327.388 0.134 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC3CC3)C2)c1 ZINC001266349767 835745530 /nfs/dbraw/zinc/74/55/30/835745530.db2.gz MCAYOHBDKDVBAI-INIZCTEOSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC3CC3)C2)c1 ZINC001266349767 835745533 /nfs/dbraw/zinc/74/55/33/835745533.db2.gz MCAYOHBDKDVBAI-INIZCTEOSA-N 1 1 326.400 0.775 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](C)CC[C@@H]2CCS(=O)(=O)C2)cn1 ZINC001266351068 835748627 /nfs/dbraw/zinc/74/86/27/835748627.db2.gz ZXRAFZSTXVCGTQ-CQSZACIVSA-N 1 1 349.456 0.549 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001266356457 835762040 /nfs/dbraw/zinc/76/20/40/835762040.db2.gz DRZUYWNVOAULSH-HNNXBMFYSA-N 1 1 342.399 0.074 20 30 ECEDMO C[N@H+](CC#Cc1ccccc1)CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001266356457 835762048 /nfs/dbraw/zinc/76/20/48/835762048.db2.gz DRZUYWNVOAULSH-HNNXBMFYSA-N 1 1 342.399 0.074 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001266359106 835767365 /nfs/dbraw/zinc/76/73/65/835767365.db2.gz NNMPJHASYSFNLA-YPMHNXCESA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001266359106 835767373 /nfs/dbraw/zinc/76/73/73/835767373.db2.gz NNMPJHASYSFNLA-YPMHNXCESA-N 1 1 342.403 0.453 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCCO2)CC1 ZINC001266365984 835778491 /nfs/dbraw/zinc/77/84/91/835778491.db2.gz KZIKHLXYKSFKRM-KBPBESRZSA-N 1 1 334.420 0.166 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC(C)C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001266388170 835796388 /nfs/dbraw/zinc/79/63/88/835796388.db2.gz UQXPEDCNJCSTQL-QGZVFWFLSA-N 1 1 349.475 0.721 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC(C)C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001266388170 835796393 /nfs/dbraw/zinc/79/63/93/835796393.db2.gz UQXPEDCNJCSTQL-QGZVFWFLSA-N 1 1 349.475 0.721 20 30 ECEDMO CC[N@H+](CCNC(=O)C[C@@H]1Cc2ccccc2O1)CC(=O)NCC#N ZINC001266392101 835799241 /nfs/dbraw/zinc/79/92/41/835799241.db2.gz CINRAFBODXALBA-HNNXBMFYSA-N 1 1 344.415 0.458 20 30 ECEDMO CC[N@@H+](CCNC(=O)C[C@@H]1Cc2ccccc2O1)CC(=O)NCC#N ZINC001266392101 835799253 /nfs/dbraw/zinc/79/92/53/835799253.db2.gz CINRAFBODXALBA-HNNXBMFYSA-N 1 1 344.415 0.458 20 30 ECEDMO CC[N@H+](CCNC(=O)C[C@H]1Cc2ccccc2O1)CC(=O)NCC#N ZINC001266392102 835799506 /nfs/dbraw/zinc/79/95/06/835799506.db2.gz CINRAFBODXALBA-OAHLLOKOSA-N 1 1 344.415 0.458 20 30 ECEDMO CC[N@@H+](CCNC(=O)C[C@H]1Cc2ccccc2O1)CC(=O)NCC#N ZINC001266392102 835799514 /nfs/dbraw/zinc/79/95/14/835799514.db2.gz CINRAFBODXALBA-OAHLLOKOSA-N 1 1 344.415 0.458 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cnn2ccccc12)CC(=O)NCC#N ZINC001266423030 835828152 /nfs/dbraw/zinc/82/81/52/835828152.db2.gz ZKJIPCIZFYETCV-UHFFFAOYSA-N 1 1 328.376 0.026 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cnn2ccccc12)CC(=O)NCC#N ZINC001266423030 835828160 /nfs/dbraw/zinc/82/81/60/835828160.db2.gz ZKJIPCIZFYETCV-UHFFFAOYSA-N 1 1 328.376 0.026 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1c2c(nn1C)CCC2 ZINC001266427995 835832160 /nfs/dbraw/zinc/83/21/60/835832160.db2.gz HUSZWPYIASADDI-ZDUSSCGKSA-N 1 1 347.463 0.651 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1c2c(nn1C)CCC2 ZINC001266427995 835832167 /nfs/dbraw/zinc/83/21/67/835832167.db2.gz HUSZWPYIASADDI-ZDUSSCGKSA-N 1 1 347.463 0.651 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cc(N(C)C)ccn1 ZINC001266440051 835845013 /nfs/dbraw/zinc/84/50/13/835845013.db2.gz DXFWVYVDSVKDOC-AWEZNQCLSA-N 1 1 345.447 0.337 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cc(N(C)C)ccn1 ZINC001266440051 835845020 /nfs/dbraw/zinc/84/50/20/835845020.db2.gz DXFWVYVDSVKDOC-AWEZNQCLSA-N 1 1 345.447 0.337 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001266447015 835850128 /nfs/dbraw/zinc/85/01/28/835850128.db2.gz NRIPBCXIQSZAIP-JSGCOSHPSA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001266447015 835850133 /nfs/dbraw/zinc/85/01/33/835850133.db2.gz NRIPBCXIQSZAIP-JSGCOSHPSA-N 1 1 333.436 0.857 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(F)F)C1 ZINC001266448025 835852303 /nfs/dbraw/zinc/85/23/03/835852303.db2.gz FLOFNHITJKLACH-CHWSQXEVSA-N 1 1 329.391 0.950 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC(=O)NCC ZINC001266450388 835853471 /nfs/dbraw/zinc/85/34/71/835853471.db2.gz NAHKABGHXVAECX-OLZOCXBDSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(=O)NCC ZINC001266450388 835853478 /nfs/dbraw/zinc/85/34/78/835853478.db2.gz NAHKABGHXVAECX-OLZOCXBDSA-N 1 1 340.424 0.004 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 ZINC001266451582 835855307 /nfs/dbraw/zinc/85/53/07/835855307.db2.gz FIMCDLAYVUIWFV-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC001266453115 835855873 /nfs/dbraw/zinc/85/58/73/835855873.db2.gz YERUOHDJGWFVBT-HZPDHXFCSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](OCC)C2CC2)C1 ZINC001266455846 835859151 /nfs/dbraw/zinc/85/91/51/835859151.db2.gz MEZSSTDSWKNWER-QAPCUYQASA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H](C[N@H+](C)CC(=O)NC2CC2)C1 ZINC001266455860 835859888 /nfs/dbraw/zinc/85/98/88/835859888.db2.gz MPOTWUFVEWZYOX-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)CCn2ccnn2)C1=O ZINC001266458611 835860589 /nfs/dbraw/zinc/86/05/89/835860589.db2.gz YMTDCRDDKNQQMY-GJZGRUSLSA-N 1 1 346.435 0.036 20 30 ECEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001266460005 835861789 /nfs/dbraw/zinc/86/17/89/835861789.db2.gz VSYVUOCFDLOWAG-CQSZACIVSA-N 1 1 331.482 0.624 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1CCCN1C(=O)CNC1=O ZINC001266464581 835865442 /nfs/dbraw/zinc/86/54/42/835865442.db2.gz CYEJKRPDQHDQFH-AWEZNQCLSA-N 1 1 336.436 0.865 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001266465233 835867255 /nfs/dbraw/zinc/86/72/55/835867255.db2.gz RDGUDXPBPMVMBN-CYBMUJFWSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1(C)CC1 ZINC001266465635 835867266 /nfs/dbraw/zinc/86/72/66/835867266.db2.gz YYRPPNFTNVMDAA-CHWSQXEVSA-N 1 1 336.436 0.767 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CC1 ZINC001266465635 835867269 /nfs/dbraw/zinc/86/72/69/835867269.db2.gz YYRPPNFTNVMDAA-CHWSQXEVSA-N 1 1 336.436 0.767 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001266470769 835873217 /nfs/dbraw/zinc/87/32/17/835873217.db2.gz AGJSJKSYZHOYGN-RKVPGOIHSA-N 1 1 333.432 0.276 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001266470769 835873220 /nfs/dbraw/zinc/87/32/20/835873220.db2.gz AGJSJKSYZHOYGN-RKVPGOIHSA-N 1 1 333.432 0.276 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCN2CC(=O)NCC#N)C1 ZINC001266477687 835878274 /nfs/dbraw/zinc/87/82/74/835878274.db2.gz UAZAZVZEUTZYRN-HOTGVXAUSA-N 1 1 349.479 0.329 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCN2CC(=O)NCC#N)C1 ZINC001266477688 835878333 /nfs/dbraw/zinc/87/83/33/835878333.db2.gz UAZAZVZEUTZYRN-HZPDHXFCSA-N 1 1 349.479 0.329 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CC)nn1C ZINC001266485776 835884967 /nfs/dbraw/zinc/88/49/67/835884967.db2.gz IZSSVIUVYNUBEL-DZGCQCFKSA-N 1 1 345.447 0.315 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CC)nn1C ZINC001266485776 835884977 /nfs/dbraw/zinc/88/49/77/835884977.db2.gz IZSSVIUVYNUBEL-DZGCQCFKSA-N 1 1 345.447 0.315 20 30 ECEDMO C=CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266489657 835889364 /nfs/dbraw/zinc/88/93/64/835889364.db2.gz MWDCPDMLCJCNHB-NCOADZHNSA-N 1 1 348.491 0.837 20 30 ECEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncn(C)c1=O ZINC001266489363 835889486 /nfs/dbraw/zinc/88/94/86/835889486.db2.gz CCJRRZGTDCPLIP-SOUVJXGZSA-N 1 1 333.436 0.612 20 30 ECEDMO C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1CC ZINC001266489747 835890571 /nfs/dbraw/zinc/89/05/71/835890571.db2.gz PXWJOCPIKYHBIN-IXDOHACOSA-N 1 1 337.464 0.585 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1CC ZINC001266489747 835890579 /nfs/dbraw/zinc/89/05/79/835890579.db2.gz PXWJOCPIKYHBIN-IXDOHACOSA-N 1 1 337.464 0.585 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](OC)C1CCCC1 ZINC001266491978 835891902 /nfs/dbraw/zinc/89/19/02/835891902.db2.gz FESFNKSXYNUHLT-RDJZCZTQSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](OC)C1CCCC1 ZINC001266491978 835891908 /nfs/dbraw/zinc/89/19/08/835891908.db2.gz FESFNKSXYNUHLT-RDJZCZTQSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001266511827 835919941 /nfs/dbraw/zinc/91/99/41/835919941.db2.gz RNLXHXGZEQLTLI-ZDUSSCGKSA-N 1 1 347.419 0.387 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001266520013 835932319 /nfs/dbraw/zinc/93/23/19/835932319.db2.gz DCSPBTRJVLSSES-CQSZACIVSA-N 1 1 338.411 0.969 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccoc2C2CC2)C1 ZINC001266527701 835942857 /nfs/dbraw/zinc/94/28/57/835942857.db2.gz BOURVZABWHPUMR-LBPRGKRZSA-N 1 1 330.388 0.848 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccoc2C2CC2)C1 ZINC001266527701 835942862 /nfs/dbraw/zinc/94/28/62/835942862.db2.gz BOURVZABWHPUMR-LBPRGKRZSA-N 1 1 330.388 0.848 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCN(CC(=O)NCC#N)C2)C1 ZINC001266528402 835945023 /nfs/dbraw/zinc/94/50/23/835945023.db2.gz PAKOPNIKZLHRKN-CVEARBPZSA-N 1 1 349.479 0.186 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](CC#CCOC)C2)nn1 ZINC001266537754 835956391 /nfs/dbraw/zinc/95/63/91/835956391.db2.gz RMIXCDYSAGSLHC-OAHLLOKOSA-N 1 1 331.420 0.556 20 30 ECEDMO CCc1nc(C)c(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)s1 ZINC001266537976 835957410 /nfs/dbraw/zinc/95/74/10/835957410.db2.gz WBPSDIKCJRPGPC-LBPRGKRZSA-N 1 1 349.460 0.705 20 30 ECEDMO CCc1nc(C)c(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)s1 ZINC001266537976 835957414 /nfs/dbraw/zinc/95/74/14/835957414.db2.gz WBPSDIKCJRPGPC-LBPRGKRZSA-N 1 1 349.460 0.705 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001266539596 835960457 /nfs/dbraw/zinc/96/04/57/835960457.db2.gz FEIRLEKCXRUGEL-LSDHHAIUSA-N 1 1 347.463 0.954 20 30 ECEDMO CC(C)c1nn(C)cc1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266548596 835970658 /nfs/dbraw/zinc/97/06/58/835970658.db2.gz CUTDJPYSZAVKFG-CYBMUJFWSA-N 1 1 346.435 0.235 20 30 ECEDMO CC(C)c1nn(C)cc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266548596 835970664 /nfs/dbraw/zinc/97/06/64/835970664.db2.gz CUTDJPYSZAVKFG-CYBMUJFWSA-N 1 1 346.435 0.235 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001266566810 835996396 /nfs/dbraw/zinc/99/63/96/835996396.db2.gz MTGUMPBZJXTWDX-JHMPBIJASA-N 1 1 347.459 0.376 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001266593185 836023088 /nfs/dbraw/zinc/02/30/88/836023088.db2.gz AFJQZONUNLBHCV-SYQHCUMBSA-N 1 1 343.431 0.204 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](CC(=O)NCC2CC2)C2CC2)c1 ZINC001266609231 836042520 /nfs/dbraw/zinc/04/25/20/836042520.db2.gz GCPLUGAQTABQQV-UHFFFAOYSA-N 1 1 340.427 0.783 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](CC(=O)NCC2CC2)C2CC2)c1 ZINC001266609231 836042531 /nfs/dbraw/zinc/04/25/31/836042531.db2.gz GCPLUGAQTABQQV-UHFFFAOYSA-N 1 1 340.427 0.783 20 30 ECEDMO Cc1nc(C)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NCC#N)[nH]1 ZINC001266651853 836086938 /nfs/dbraw/zinc/08/69/38/836086938.db2.gz KBNCRWYSWBZNCV-AGUYFDCRSA-N 1 1 344.419 0.392 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC2)C1 ZINC001266656291 836091272 /nfs/dbraw/zinc/09/12/72/836091272.db2.gz RLRLWEYCWBMJEH-HUUCEWRRSA-N 1 1 348.447 0.721 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cnccn2)C1 ZINC001266656514 836093810 /nfs/dbraw/zinc/09/38/10/836093810.db2.gz WUFVZIXGHINUIP-HOCLYGCPSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cnns2)C1 ZINC001266740004 836223721 /nfs/dbraw/zinc/22/37/21/836223721.db2.gz ICDQNMFSZNGLHZ-RYUDHWBXSA-N 1 1 335.433 0.118 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccnc(C)c2)C1 ZINC001266763991 836267453 /nfs/dbraw/zinc/26/74/53/836267453.db2.gz KRNZEKSGBBTFOU-CVEARBPZSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CCC[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001266767418 836273835 /nfs/dbraw/zinc/27/38/35/836273835.db2.gz NAJBUIGBWSVLPH-HOTGVXAUSA-N 1 1 336.480 0.294 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CCC[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001266767418 836273846 /nfs/dbraw/zinc/27/38/46/836273846.db2.gz NAJBUIGBWSVLPH-HOTGVXAUSA-N 1 1 336.480 0.294 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)COc1cccnc1 ZINC001266856300 836391130 /nfs/dbraw/zinc/39/11/30/836391130.db2.gz NSPUBRYVWJHDRM-HNNXBMFYSA-N 1 1 346.431 0.733 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)COc1cccnc1 ZINC001266856300 836391139 /nfs/dbraw/zinc/39/11/39/836391139.db2.gz NSPUBRYVWJHDRM-HNNXBMFYSA-N 1 1 346.431 0.733 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001266892110 836439858 /nfs/dbraw/zinc/43/98/58/836439858.db2.gz SYGCNQXTUXJFDF-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cnccc2C)C1 ZINC001266892986 836442992 /nfs/dbraw/zinc/44/29/92/836442992.db2.gz OYDUJMFLPZJFHC-CVEARBPZSA-N 1 1 342.443 0.970 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(=O)[nH]c1)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266896700 836448179 /nfs/dbraw/zinc/44/81/79/836448179.db2.gz FWQRNZPGCJGHFL-TZMCWYRMSA-N 1 1 345.403 0.257 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)COCc2nc(CC)no2)C1 ZINC001266898696 836450609 /nfs/dbraw/zinc/45/06/09/836450609.db2.gz XYZDYDWQKCKYED-ZIAGYGMSSA-N 1 1 334.420 0.999 20 30 ECEDMO CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1(C)C ZINC001266903064 836458324 /nfs/dbraw/zinc/45/83/24/836458324.db2.gz HTTJMNKDUXRJLE-QZCUMHFISA-N 1 1 344.459 0.911 20 30 ECEDMO CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1(C)C ZINC001266903064 836458327 /nfs/dbraw/zinc/45/83/27/836458327.db2.gz HTTJMNKDUXRJLE-QZCUMHFISA-N 1 1 344.459 0.911 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](C)CO1 ZINC001266903131 836458588 /nfs/dbraw/zinc/45/85/88/836458588.db2.gz SXNYIOGMXNGUFZ-RNGZQALNSA-N 1 1 349.475 0.882 20 30 ECEDMO C#CCCOc1ccc(C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)cc1 ZINC001266938445 836496557 /nfs/dbraw/zinc/49/65/57/836496557.db2.gz XONMIXCPCOMIPC-ZDUSSCGKSA-N 1 1 342.403 0.520 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001267010123 836609184 /nfs/dbraw/zinc/60/91/84/836609184.db2.gz KFDXAXVBZJXNSK-HIFRSBDPSA-N 1 1 331.420 0.417 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC001267015165 836623213 /nfs/dbraw/zinc/62/32/13/836623213.db2.gz MBUXGXQYNGTJSO-ZDUSSCGKSA-N 1 1 327.388 0.669 20 30 ECEDMO C=CCC1(C(=O)N(C)CC[NH2+]Cc2nnnn2C2CC2)CCOCC1 ZINC001267016997 836627051 /nfs/dbraw/zinc/62/70/51/836627051.db2.gz DDAPRHAUEUVYMH-UHFFFAOYSA-N 1 1 348.451 0.929 20 30 ECEDMO CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001267103523 836778274 /nfs/dbraw/zinc/77/82/74/836778274.db2.gz AFVGNIJHVZLEHA-JKSUJKDBSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC2CC2)C1 ZINC001267105562 836785269 /nfs/dbraw/zinc/78/52/69/836785269.db2.gz KVPQTNXZZUNNAH-GOEBONIOSA-N 1 1 335.448 0.616 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([N@@H+](C)CCNC(=O)C2CC2)C1 ZINC001267106630 836786734 /nfs/dbraw/zinc/78/67/34/836786734.db2.gz SLPKPFAYODIHKR-QAPCUYQASA-N 1 1 337.464 0.763 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001267111697 836796863 /nfs/dbraw/zinc/79/68/63/836796863.db2.gz LKXIRFIQXLXXHO-KBPBESRZSA-N 1 1 331.482 0.669 20 30 ECEDMO C[C@H](C#N)C(=O)NCCC[C@@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC001267163038 836881801 /nfs/dbraw/zinc/88/18/01/836881801.db2.gz LCBDSKGVZHFOKP-ZIAGYGMSSA-N 1 1 334.420 0.656 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CCOCC1 ZINC001267165923 836888216 /nfs/dbraw/zinc/88/82/16/836888216.db2.gz RHKSLUOVXWYEPB-KRWDZBQOSA-N 1 1 337.464 0.329 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CCN(C)C(=O)C1 ZINC001267170543 836901666 /nfs/dbraw/zinc/90/16/66/836901666.db2.gz ODCOEIJDDOSTKN-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C2CC2)nn1C ZINC001267197567 836964074 /nfs/dbraw/zinc/96/40/74/836964074.db2.gz PCMGDDPARHOUOD-GFCCVEGCSA-N 1 1 333.436 0.650 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C2CC2)nn1C ZINC001267197567 836964080 /nfs/dbraw/zinc/96/40/80/836964080.db2.gz PCMGDDPARHOUOD-GFCCVEGCSA-N 1 1 333.436 0.650 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001267198736 836966979 /nfs/dbraw/zinc/96/69/79/836966979.db2.gz ABANGVZAIZTGIJ-CYBMUJFWSA-N 1 1 345.447 0.580 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001267198736 836966996 /nfs/dbraw/zinc/96/69/96/836966996.db2.gz ABANGVZAIZTGIJ-CYBMUJFWSA-N 1 1 345.447 0.580 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccc2c1COCC2 ZINC001267199241 836968526 /nfs/dbraw/zinc/96/85/26/836968526.db2.gz LYGMJJNFVQFYRJ-CQSZACIVSA-N 1 1 343.427 0.559 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc2c1COCC2 ZINC001267199241 836968540 /nfs/dbraw/zinc/96/85/40/836968540.db2.gz LYGMJJNFVQFYRJ-CQSZACIVSA-N 1 1 343.427 0.559 20 30 ECEDMO C#CCNC(=O)CN(C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001267199857 836970133 /nfs/dbraw/zinc/97/01/33/836970133.db2.gz WXBBAEQQQVKTLW-MRXNPFEDSA-N 1 1 334.464 0.191 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc2c(c1)ncn2C ZINC001267204774 836982972 /nfs/dbraw/zinc/98/29/72/836982972.db2.gz LMOGDDIFFGNAJD-ZDUSSCGKSA-N 1 1 343.431 0.926 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)ncn2C ZINC001267204774 836982976 /nfs/dbraw/zinc/98/29/76/836982976.db2.gz LMOGDDIFFGNAJD-ZDUSSCGKSA-N 1 1 343.431 0.926 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC001267204759 836983631 /nfs/dbraw/zinc/98/36/31/836983631.db2.gz KZROCXUGBVWLIO-SWLSCSKDSA-N 1 1 347.463 0.706 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC001267204759 836983638 /nfs/dbraw/zinc/98/36/38/836983638.db2.gz KZROCXUGBVWLIO-SWLSCSKDSA-N 1 1 347.463 0.706 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cnn(CCF)c2)C1=O ZINC001267205272 836985059 /nfs/dbraw/zinc/98/50/59/836985059.db2.gz XXOYARZUHPZFTL-CQSZACIVSA-N 1 1 337.399 0.301 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cnn(CCF)c2)C1=O ZINC001267205272 836985065 /nfs/dbraw/zinc/98/50/65/836985065.db2.gz XXOYARZUHPZFTL-CQSZACIVSA-N 1 1 337.399 0.301 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C(C)C)nn1 ZINC001267221164 837014514 /nfs/dbraw/zinc/01/45/14/837014514.db2.gz VONUNKCGMYMJDD-ZDUSSCGKSA-N 1 1 336.440 0.381 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C(C)C)nn1 ZINC001267221164 837014519 /nfs/dbraw/zinc/01/45/19/837014519.db2.gz VONUNKCGMYMJDD-ZDUSSCGKSA-N 1 1 336.440 0.381 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N(CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267241611 837050569 /nfs/dbraw/zinc/05/05/69/837050569.db2.gz DISIJORSUBORGW-OWCLPIDISA-N 1 1 336.480 0.293 20 30 ECEDMO C=C1CC(C)(C(=O)NCC[N@H+](CC)Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001267251844 837071027 /nfs/dbraw/zinc/07/10/27/837071027.db2.gz RYJHFIJYJBEOCI-UHFFFAOYSA-N 1 1 348.447 0.378 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001267266326 837103652 /nfs/dbraw/zinc/10/36/52/837103652.db2.gz CYUHWMBRXLJBOC-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001267266326 837103659 /nfs/dbraw/zinc/10/36/59/837103659.db2.gz CYUHWMBRXLJBOC-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1cncs1 ZINC001267271271 837111249 /nfs/dbraw/zinc/11/12/49/837111249.db2.gz RZULMZKORPIMPQ-OLZOCXBDSA-N 1 1 336.461 0.957 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cc1cncs1 ZINC001267271271 837111256 /nfs/dbraw/zinc/11/12/56/837111256.db2.gz RZULMZKORPIMPQ-OLZOCXBDSA-N 1 1 336.461 0.957 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001267276673 837121005 /nfs/dbraw/zinc/12/10/05/837121005.db2.gz PQFUVPVAUMEHLT-GJZGRUSLSA-N 1 1 347.463 0.922 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001267276673 837121009 /nfs/dbraw/zinc/12/10/09/837121009.db2.gz PQFUVPVAUMEHLT-GJZGRUSLSA-N 1 1 347.463 0.922 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)COC ZINC001267276612 837121161 /nfs/dbraw/zinc/12/11/61/837121161.db2.gz OYEOXGRDYIZUBW-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)COC ZINC001267276612 837121163 /nfs/dbraw/zinc/12/11/63/837121163.db2.gz OYEOXGRDYIZUBW-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)Cc2nonc2C)C1=O ZINC001267279321 837124437 /nfs/dbraw/zinc/12/44/37/837124437.db2.gz BRLSODXFOGUYDP-DZGCQCFKSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)Cc2nonc2C)C1=O ZINC001267279321 837124444 /nfs/dbraw/zinc/12/44/44/837124444.db2.gz BRLSODXFOGUYDP-DZGCQCFKSA-N 1 1 347.419 0.288 20 30 ECEDMO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001267280105 837126546 /nfs/dbraw/zinc/12/65/46/837126546.db2.gz RASNYLJYPMXGRX-OAHLLOKOSA-N 1 1 347.463 0.928 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001267279851 837127824 /nfs/dbraw/zinc/12/78/24/837127824.db2.gz MBDJRTXYWANUNO-KGLIPLIRSA-N 1 1 346.431 0.959 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001267279851 837127828 /nfs/dbraw/zinc/12/78/28/837127828.db2.gz MBDJRTXYWANUNO-KGLIPLIRSA-N 1 1 346.431 0.959 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001267284183 837132685 /nfs/dbraw/zinc/13/26/85/837132685.db2.gz ZHVYKJYYVXEEMC-CQSZACIVSA-N 1 1 330.388 0.025 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001267284183 837132692 /nfs/dbraw/zinc/13/26/92/837132692.db2.gz ZHVYKJYYVXEEMC-CQSZACIVSA-N 1 1 330.388 0.025 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001267285153 837135747 /nfs/dbraw/zinc/13/57/47/837135747.db2.gz CPXHECOLQVSASP-ZIAGYGMSSA-N 1 1 332.404 0.062 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ncccc2C)C1 ZINC001267288640 837138295 /nfs/dbraw/zinc/13/82/95/837138295.db2.gz AEHKLUZURXIHJK-LSDHHAIUSA-N 1 1 328.416 0.580 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001267292896 837146161 /nfs/dbraw/zinc/14/61/61/837146161.db2.gz HYWIABDAXYOIGJ-GOEBONIOSA-N 1 1 335.448 0.379 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267294039 837149484 /nfs/dbraw/zinc/14/94/84/837149484.db2.gz BRTHTCUMOZHRSH-CYBMUJFWSA-N 1 1 333.436 0.815 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267294039 837149488 /nfs/dbraw/zinc/14/94/88/837149488.db2.gz BRTHTCUMOZHRSH-CYBMUJFWSA-N 1 1 333.436 0.815 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3cccn3cn2)C1 ZINC001267295813 837150697 /nfs/dbraw/zinc/15/06/97/837150697.db2.gz BDNJGJJDJZGUBL-ZDUSSCGKSA-N 1 1 340.387 0.026 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc3cccn3cn2)C1 ZINC001267295813 837150700 /nfs/dbraw/zinc/15/07/00/837150700.db2.gz BDNJGJJDJZGUBL-ZDUSSCGKSA-N 1 1 340.387 0.026 20 30 ECEDMO CCc1nnc(C)cc1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267296777 837153472 /nfs/dbraw/zinc/15/34/72/837153472.db2.gz VHHLMAFHBCBHDN-ZDUSSCGKSA-N 1 1 344.419 0.039 20 30 ECEDMO CCc1nnc(C)cc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267296777 837153476 /nfs/dbraw/zinc/15/34/76/837153476.db2.gz VHHLMAFHBCBHDN-ZDUSSCGKSA-N 1 1 344.419 0.039 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001267299910 837163818 /nfs/dbraw/zinc/16/38/18/837163818.db2.gz HJXKDBLPSVEHTR-UKRRQHHQSA-N 1 1 341.415 0.189 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001267299910 837163821 /nfs/dbraw/zinc/16/38/21/837163821.db2.gz HJXKDBLPSVEHTR-UKRRQHHQSA-N 1 1 341.415 0.189 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001267304541 837173048 /nfs/dbraw/zinc/17/30/48/837173048.db2.gz JGZMQPJODDXQLC-LSDHHAIUSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2conc2COC)C1 ZINC001267306138 837176413 /nfs/dbraw/zinc/17/64/13/837176413.db2.gz DTMHEDRCTWLALN-GFCCVEGCSA-N 1 1 336.392 0.175 20 30 ECEDMO CC#CC[N@@H+](CCCNC(=O)Cn1nc2ccccn2c1=O)C(C)C ZINC001267307582 837181564 /nfs/dbraw/zinc/18/15/64/837181564.db2.gz BWGTYHCHLNPEGV-UHFFFAOYSA-N 1 1 343.431 0.736 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(CF)cc2)C1 ZINC001267308747 837183579 /nfs/dbraw/zinc/18/35/79/837183579.db2.gz FZTFVOJTNCUJBA-AWEZNQCLSA-N 1 1 332.379 0.848 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CF)cc2)C1 ZINC001267308747 837183583 /nfs/dbraw/zinc/18/35/83/837183583.db2.gz FZTFVOJTNCUJBA-AWEZNQCLSA-N 1 1 332.379 0.848 20 30 ECEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001267317067 837194185 /nfs/dbraw/zinc/19/41/85/837194185.db2.gz MZZOBRCTYWASQD-UHFFFAOYSA-N 1 1 329.426 0.075 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cnn(C)c1C)C1CC1 ZINC001267321976 837198969 /nfs/dbraw/zinc/19/89/69/837198969.db2.gz QFWKUBUGFIWUEY-CYBMUJFWSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cnn(C)c1C)C1CC1 ZINC001267321976 837198973 /nfs/dbraw/zinc/19/89/73/837198973.db2.gz QFWKUBUGFIWUEY-CYBMUJFWSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CCNC(=O)c1ocnc1C)C1CC1 ZINC001267323476 837199752 /nfs/dbraw/zinc/19/97/52/837199752.db2.gz NIOLISAMRNHSFI-UHFFFAOYSA-N 1 1 349.391 0.189 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCNC(=O)c1ocnc1C)C1CC1 ZINC001267323476 837199756 /nfs/dbraw/zinc/19/97/56/837199756.db2.gz NIOLISAMRNHSFI-UHFFFAOYSA-N 1 1 349.391 0.189 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cnc(C2CC2)o1)C1CC1 ZINC001267327449 837208395 /nfs/dbraw/zinc/20/83/95/837208395.db2.gz NOYLGGQFLSLKMK-UHFFFAOYSA-N 1 1 330.388 0.496 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cnc(C2CC2)o1)C1CC1 ZINC001267327449 837208410 /nfs/dbraw/zinc/20/84/10/837208410.db2.gz NOYLGGQFLSLKMK-UHFFFAOYSA-N 1 1 330.388 0.496 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1c(C)nn(C)c1F)C1CC1 ZINC001267337035 837220016 /nfs/dbraw/zinc/22/00/16/837220016.db2.gz DPNITLWVMPWPSH-GFCCVEGCSA-N 1 1 349.410 0.200 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1c(C)nn(C)c1F)C1CC1 ZINC001267337035 837220024 /nfs/dbraw/zinc/22/00/24/837220024.db2.gz DPNITLWVMPWPSH-GFCCVEGCSA-N 1 1 349.410 0.200 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(F)cc(F)c1)C1CC1 ZINC001267336958 837220920 /nfs/dbraw/zinc/22/09/20/837220920.db2.gz AMPJGXDLMLYJNT-UHFFFAOYSA-N 1 1 335.354 0.908 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cc(F)cc(F)c1)C1CC1 ZINC001267336958 837220923 /nfs/dbraw/zinc/22/09/23/837220923.db2.gz AMPJGXDLMLYJNT-UHFFFAOYSA-N 1 1 335.354 0.908 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@H]1CCc2nnc(C)n2C1)C1CC1 ZINC001267338335 837221831 /nfs/dbraw/zinc/22/18/31/837221831.db2.gz UUHOOONDDJNYMT-HNNXBMFYSA-N 1 1 345.447 0.379 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(C)n(C(C)C)n1)C1CC1 ZINC001267339169 837223561 /nfs/dbraw/zinc/22/35/61/837223561.db2.gz WWNWSBSAKITMLS-UHFFFAOYSA-N 1 1 345.447 0.716 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cc(C)n(C(C)C)n1)C1CC1 ZINC001267339169 837223572 /nfs/dbraw/zinc/22/35/72/837223572.db2.gz WWNWSBSAKITMLS-UHFFFAOYSA-N 1 1 345.447 0.716 20 30 ECEDMO CN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)CCc1nc[nH]n1 ZINC001267361366 837251630 /nfs/dbraw/zinc/25/16/30/837251630.db2.gz XVFKCUHNJKPVSG-UHFFFAOYSA-N 1 1 330.367 0.996 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001267417835 837383382 /nfs/dbraw/zinc/38/33/82/837383382.db2.gz OGKYBZGZASNQBV-KRXQYRFLSA-N 1 1 335.448 0.779 20 30 ECEDMO CCCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267581724 837845951 /nfs/dbraw/zinc/84/59/51/837845951.db2.gz RWHJIBJGZJDFKC-OAHLLOKOSA-N 1 1 348.447 0.416 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2cscn2)C1 ZINC001267583807 837852990 /nfs/dbraw/zinc/85/29/90/837852990.db2.gz SGUMZCKWJOFLRR-KBPBESRZSA-N 1 1 348.472 0.652 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001267584757 837858165 /nfs/dbraw/zinc/85/81/65/837858165.db2.gz HXGYQRBXCVEKKC-IRXDYDNUSA-N 1 1 344.459 0.876 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001267584812 837858338 /nfs/dbraw/zinc/85/83/38/837858338.db2.gz IYEDOTKCIHLPHP-LBPRGKRZSA-N 1 1 339.417 0.344 20 30 ECEDMO CCN1CCOC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC#CCOC)C1 ZINC001267586764 837863920 /nfs/dbraw/zinc/86/39/20/837863920.db2.gz ZCLWJAFWLJTMAD-SJORKVTESA-N 1 1 337.464 0.137 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001267586423 837864744 /nfs/dbraw/zinc/86/47/44/837864744.db2.gz RGWBRIRGMCAZKT-FCEWJHQRSA-N 1 1 347.459 0.475 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnon2)C1 ZINC001267590556 837878796 /nfs/dbraw/zinc/87/87/96/837878796.db2.gz TZIIDJORDCXAML-GOEBONIOSA-N 1 1 349.435 0.821 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cnon2)C1 ZINC001267590556 837878802 /nfs/dbraw/zinc/87/88/02/837878802.db2.gz TZIIDJORDCXAML-GOEBONIOSA-N 1 1 349.435 0.821 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC2CC2)CC1 ZINC001267599133 837909380 /nfs/dbraw/zinc/90/93/80/837909380.db2.gz DTKBJXTXVYRBKG-HNNXBMFYSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)c2c[nH]c(=O)n2C)CC1 ZINC001267600052 837914683 /nfs/dbraw/zinc/91/46/83/837914683.db2.gz JXGHBOQRHDTTKQ-UHFFFAOYSA-N 1 1 349.435 0.212 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NCC[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001267605080 837939925 /nfs/dbraw/zinc/93/99/25/837939925.db2.gz KYROMPGKNGVQMA-ZIAGYGMSSA-N 1 1 340.468 0.459 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCc2ccoc2)C1 ZINC001267610528 837974252 /nfs/dbraw/zinc/97/42/52/837974252.db2.gz FCHABMKMCWYHOU-GOEBONIOSA-N 1 1 331.416 0.931 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCc2ccoc2)C1 ZINC001267610528 837974257 /nfs/dbraw/zinc/97/42/57/837974257.db2.gz FCHABMKMCWYHOU-GOEBONIOSA-N 1 1 331.416 0.931 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)CCCc2nc(CC)no2)CC1 ZINC001267617723 838044846 /nfs/dbraw/zinc/04/48/46/838044846.db2.gz GVQMKQYAVYMOND-UHFFFAOYSA-N 1 1 347.463 0.664 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)noc2C)C1 ZINC001267625778 838071980 /nfs/dbraw/zinc/07/19/80/838071980.db2.gz OZNRJRPQNLWGQE-AWEZNQCLSA-N 1 1 332.404 0.435 20 30 ECEDMO COCC#CCN1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267630128 838087612 /nfs/dbraw/zinc/08/76/12/838087612.db2.gz ZTBXLVFFUYKQFV-IRXDYDNUSA-N 1 1 344.459 0.984 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cc(C)on2)C1 ZINC001267638900 838116830 /nfs/dbraw/zinc/11/68/30/838116830.db2.gz UQQWKDFWHOFAQF-LSDHHAIUSA-N 1 1 348.447 0.997 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cnc(C)n2C)C1 ZINC001267683038 838243116 /nfs/dbraw/zinc/24/31/16/838243116.db2.gz IOKZWEWAXLZTBT-DZGCQCFKSA-N 1 1 345.447 0.260 20 30 ECEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1CN(CC(=O)NCC#N)C1 ZINC001267682955 838243170 /nfs/dbraw/zinc/24/31/70/838243170.db2.gz FXGJYVKNFWDEHQ-CYBMUJFWSA-N 1 1 346.435 0.084 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)NS(C)(=O)=O ZINC001267713893 838338181 /nfs/dbraw/zinc/33/81/81/838338181.db2.gz VRYRDXWZQYFLQY-IHRRRGAJSA-N 1 1 343.493 0.954 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001267717407 838364246 /nfs/dbraw/zinc/36/42/46/838364246.db2.gz VMGUQXCHXFLFIS-AGIUHOORSA-N 1 1 332.408 0.017 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC001267723254 838380302 /nfs/dbraw/zinc/38/03/02/838380302.db2.gz UMTUVCTWXJDEFR-RYUDHWBXSA-N 1 1 335.408 0.057 20 30 ECEDMO CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001267733424 838425415 /nfs/dbraw/zinc/42/54/15/838425415.db2.gz OGHPTGZEURDTOL-OAHLLOKOSA-N 1 1 345.447 0.740 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)C[C@H]2CCN(C)C2=O)CC1 ZINC001267733510 838426083 /nfs/dbraw/zinc/42/60/83/838426083.db2.gz RMKDYEKQKFNTEC-QGZVFWFLSA-N 1 1 349.475 0.675 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC)c2)C1 ZINC001267758767 838484788 /nfs/dbraw/zinc/48/47/88/838484788.db2.gz DOURIBGPYGBBAH-ZFWWWQNUSA-N 1 1 331.420 0.187 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC)c2)C1 ZINC001267758767 838484790 /nfs/dbraw/zinc/48/47/90/838484790.db2.gz DOURIBGPYGBBAH-ZFWWWQNUSA-N 1 1 331.420 0.187 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)cn2)C1 ZINC001267763425 838492525 /nfs/dbraw/zinc/49/25/25/838492525.db2.gz LNBCUOUUEGIPLM-GXTWGEPZSA-N 1 1 332.379 0.505 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)cn2)C1 ZINC001267763425 838492526 /nfs/dbraw/zinc/49/25/26/838492526.db2.gz LNBCUOUUEGIPLM-GXTWGEPZSA-N 1 1 332.379 0.505 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001267767585 838504732 /nfs/dbraw/zinc/50/47/32/838504732.db2.gz HVVVGOCZQZHSBT-QSJFSLAZSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001267767585 838504739 /nfs/dbraw/zinc/50/47/39/838504739.db2.gz HVVVGOCZQZHSBT-QSJFSLAZSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001267769495 838515910 /nfs/dbraw/zinc/51/59/10/838515910.db2.gz XVNOJQUHWLXHRO-MRXNPFEDSA-N 1 1 336.480 0.697 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCCF)C1 ZINC001267769941 838516979 /nfs/dbraw/zinc/51/69/79/838516979.db2.gz FISFSWFMCBLIAC-CHWSQXEVSA-N 1 1 342.415 0.669 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCCF)C1 ZINC001267769941 838516984 /nfs/dbraw/zinc/51/69/84/838516984.db2.gz FISFSWFMCBLIAC-CHWSQXEVSA-N 1 1 342.415 0.669 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2csc(C)n2)C1 ZINC001267777247 838542925 /nfs/dbraw/zinc/54/29/25/838542925.db2.gz LTJACOJVZRCPMX-CQSZACIVSA-N 1 1 336.461 0.829 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2csc(C)n2)C1 ZINC001267777247 838542931 /nfs/dbraw/zinc/54/29/31/838542931.db2.gz LTJACOJVZRCPMX-CQSZACIVSA-N 1 1 336.461 0.829 20 30 ECEDMO CCOCCO[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267779726 838551522 /nfs/dbraw/zinc/55/15/22/838551522.db2.gz UQFWNRZBSHCAHA-CVEARBPZSA-N 1 1 326.437 0.611 20 30 ECEDMO CCOCCO[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267779726 838551525 /nfs/dbraw/zinc/55/15/25/838551525.db2.gz UQFWNRZBSHCAHA-CVEARBPZSA-N 1 1 326.437 0.611 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC001267783352 838557327 /nfs/dbraw/zinc/55/73/27/838557327.db2.gz APWWHAXILXMJFF-CYBMUJFWSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC001267783352 838557329 /nfs/dbraw/zinc/55/73/29/838557329.db2.gz APWWHAXILXMJFF-CYBMUJFWSA-N 1 1 327.375 0.704 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2cnn(C)c2C)C1 ZINC001267786115 838562528 /nfs/dbraw/zinc/56/25/28/838562528.db2.gz JIWAIEDBGHODAQ-MRXNPFEDSA-N 1 1 347.463 0.496 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2cnn(C)c2C)C1 ZINC001267786115 838562535 /nfs/dbraw/zinc/56/25/35/838562535.db2.gz JIWAIEDBGHODAQ-MRXNPFEDSA-N 1 1 347.463 0.496 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CCc2ccn(C)n2)C1 ZINC001267787207 838564037 /nfs/dbraw/zinc/56/40/37/838564037.db2.gz XQIJAKBMWQRRFS-MRXNPFEDSA-N 1 1 345.447 0.025 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2ccn(C)n2)C1 ZINC001267787207 838564042 /nfs/dbraw/zinc/56/40/42/838564042.db2.gz XQIJAKBMWQRRFS-MRXNPFEDSA-N 1 1 345.447 0.025 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3ncoc3C)C2)nn1 ZINC001105178909 838727152 /nfs/dbraw/zinc/72/71/52/838727152.db2.gz YEODFZAYONJHRS-UHFFFAOYSA-N 1 1 346.391 0.564 20 30 ECEDMO CCCCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1 ZINC001105196959 838756154 /nfs/dbraw/zinc/75/61/54/838756154.db2.gz AGCIUSHNHBHJSD-CYBMUJFWSA-N 1 1 334.424 0.727 20 30 ECEDMO N#CCSCC(=O)NC[C@H]1C[N@@H+](CCC2CCOCC2)CCO1 ZINC001268018078 838985102 /nfs/dbraw/zinc/98/51/02/838985102.db2.gz OPVJCOHJSOAMBJ-HNNXBMFYSA-N 1 1 341.477 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H](CNC(=O)CCCN2C(=O)CCC2=O)C1 ZINC001268024684 839014773 /nfs/dbraw/zinc/01/47/73/839014773.db2.gz KFJHEGTUQGIBFP-AWEZNQCLSA-N 1 1 337.420 0.309 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H](CNC(=O)CCCN2C(=O)CCC2=O)C1 ZINC001268024684 839014784 /nfs/dbraw/zinc/01/47/84/839014784.db2.gz KFJHEGTUQGIBFP-AWEZNQCLSA-N 1 1 337.420 0.309 20 30 ECEDMO COCC#CCN1CCO[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001268027095 839033630 /nfs/dbraw/zinc/03/36/30/839033630.db2.gz YRWCIXIQRHGCFU-DLBZAZTESA-N 1 1 337.464 0.328 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC2(C[NH+]([C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC001268043774 839195419 /nfs/dbraw/zinc/19/54/19/839195419.db2.gz OSZDKXCIDOPONU-GJZGRUSLSA-N 1 1 347.459 0.616 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000981006265 839315370 /nfs/dbraw/zinc/31/53/70/839315370.db2.gz RNTYVVRRWFENIO-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC000981006265 839315384 /nfs/dbraw/zinc/31/53/84/839315384.db2.gz RNTYVVRRWFENIO-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000428549080 210267468 /nfs/dbraw/zinc/26/74/68/210267468.db2.gz RUXQHSRIFCIXCW-ZDUSSCGKSA-N 1 1 333.388 0.471 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000428549080 210267474 /nfs/dbraw/zinc/26/74/74/210267474.db2.gz RUXQHSRIFCIXCW-ZDUSSCGKSA-N 1 1 333.388 0.471 20 30 ECEDMO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000329675685 291003147 /nfs/dbraw/zinc/00/31/47/291003147.db2.gz ULZSXINSEHCELX-FPMFFAJLSA-N 1 1 329.466 0.940 20 30 ECEDMO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000329675685 291003150 /nfs/dbraw/zinc/00/31/50/291003150.db2.gz ULZSXINSEHCELX-FPMFFAJLSA-N 1 1 329.466 0.940 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000412074538 284145692 /nfs/dbraw/zinc/14/56/92/284145692.db2.gz LTIWFBOVHBOCOV-RYUDHWBXSA-N 1 1 325.434 0.775 20 30 ECEDMO COC(=O)[C@@H]1CSCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000412074538 284145697 /nfs/dbraw/zinc/14/56/97/284145697.db2.gz LTIWFBOVHBOCOV-RYUDHWBXSA-N 1 1 325.434 0.775 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000079068235 217187026 /nfs/dbraw/zinc/18/70/26/217187026.db2.gz MDATYJGQHFWPOL-OAHLLOKOSA-N 1 1 335.429 0.901 20 30 ECEDMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000330701167 437592677 /nfs/dbraw/zinc/59/26/77/437592677.db2.gz HJXIHRSNSOSVSR-GFCCVEGCSA-N 1 1 326.441 0.911 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1cc(C#N)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000268258462 251769792 /nfs/dbraw/zinc/76/97/92/251769792.db2.gz YPVUODNCBITRAU-GFCCVEGCSA-N 1 1 341.458 0.811 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)C1 ZINC000329941581 285057084 /nfs/dbraw/zinc/05/70/84/285057084.db2.gz CGDZBJBMYPQCQB-DZKIICNBSA-N 1 1 327.425 0.501 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000294452795 254584357 /nfs/dbraw/zinc/58/43/57/254584357.db2.gz NKKZITLVWVQRPV-HNNXBMFYSA-N 1 1 331.420 0.143 20 30 ECEDMO CN(C[C@H](O)C(F)(F)F)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331279268 254652008 /nfs/dbraw/zinc/65/20/08/254652008.db2.gz SWXCWEWXGDVSMJ-NSHDSACASA-N 1 1 340.390 0.781 20 30 ECEDMO C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000340805053 254678103 /nfs/dbraw/zinc/67/81/03/254678103.db2.gz VVYCIFZFTUGCKK-HZPDHXFCSA-N 1 1 338.496 0.847 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](O)C[C@H]2CO)c(OC)c1 ZINC000372159440 254745049 /nfs/dbraw/zinc/74/50/49/254745049.db2.gz BAVKMHZIQQQFJE-XHSDSOJGSA-N 1 1 337.416 0.591 20 30 ECEDMO C=CCn1cc(CNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)nn1 ZINC000425873129 254784465 /nfs/dbraw/zinc/78/44/65/254784465.db2.gz JXVTVKQJEFDSCB-UHFFFAOYSA-N 1 1 336.440 0.716 20 30 ECEDMO C=CCn1cc(CNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)nn1 ZINC000425873129 254784467 /nfs/dbraw/zinc/78/44/67/254784467.db2.gz JXVTVKQJEFDSCB-UHFFFAOYSA-N 1 1 336.440 0.716 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000495732643 255037062 /nfs/dbraw/zinc/03/70/62/255037062.db2.gz VQNROVHJPVBQPU-NSHDSACASA-N 1 1 326.397 0.549 20 30 ECEDMO CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000116887890 221004808 /nfs/dbraw/zinc/00/48/08/221004808.db2.gz HGEOYSZMKIBRFX-LLVKDONJSA-N 1 1 342.446 0.572 20 30 ECEDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000116887890 221004810 /nfs/dbraw/zinc/00/48/10/221004810.db2.gz HGEOYSZMKIBRFX-LLVKDONJSA-N 1 1 342.446 0.572 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000330860162 285328835 /nfs/dbraw/zinc/32/88/35/285328835.db2.gz PDJDRUDNBXNNFW-RWMBFGLXSA-N 1 1 329.441 0.780 20 30 ECEDMO C[C@@](O)(CNC(=O)CCc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000080895788 296626053 /nfs/dbraw/zinc/62/60/53/296626053.db2.gz MTSWYQBKDUPVBZ-GOSISDBHSA-N 1 1 331.416 0.690 20 30 ECEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000248853545 165189728 /nfs/dbraw/zinc/18/97/28/165189728.db2.gz JXQNKLXIPXICCZ-GOSISDBHSA-N 1 1 344.459 0.763 20 30 ECEDMO N#Cc1ccc([C@@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C(N)=O)cc1 ZINC000360062933 270007006 /nfs/dbraw/zinc/00/70/06/270007006.db2.gz YUWUQCVLEJJKED-MRXNPFEDSA-N 1 1 348.362 0.970 20 30 ECEDMO CNS(=O)(=O)CCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000330696589 270005695 /nfs/dbraw/zinc/00/56/95/270005695.db2.gz JYISQHGNGOYGGJ-UHFFFAOYSA-N 1 1 340.424 0.759 20 30 ECEDMO CCC(CC)[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000342504234 270006133 /nfs/dbraw/zinc/00/61/33/270006133.db2.gz CVXUPVCJHUNYAY-UKRRQHHQSA-N 1 1 348.451 0.964 20 30 ECEDMO N#Cc1ncn(CC[NH2+][C@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000507245498 270007930 /nfs/dbraw/zinc/00/79/30/270007930.db2.gz BKQBDKGIAFKTAN-LBPRGKRZSA-N 1 1 349.192 0.728 20 30 ECEDMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000533545296 270008313 /nfs/dbraw/zinc/00/83/13/270008313.db2.gz GLTAALREOJBBJA-AWEZNQCLSA-N 1 1 336.417 0.510 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc(C#N)ccn2)CC1 ZINC000339246687 266057488 /nfs/dbraw/zinc/05/74/88/266057488.db2.gz PCEKZIJRYFNUKO-UHFFFAOYSA-N 1 1 329.404 0.674 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000281574137 266128490 /nfs/dbraw/zinc/12/84/90/266128490.db2.gz MBGYMCWSTZMJDW-UHFFFAOYSA-N 1 1 349.435 0.502 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370740120 266166888 /nfs/dbraw/zinc/16/68/88/266166888.db2.gz RBAIUKUSSKFDRG-AAEUAGOBSA-N 1 1 331.376 0.641 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370740120 266166891 /nfs/dbraw/zinc/16/68/91/266166891.db2.gz RBAIUKUSSKFDRG-AAEUAGOBSA-N 1 1 331.376 0.641 20 30 ECEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000343636845 267199062 /nfs/dbraw/zinc/19/90/62/267199062.db2.gz RJZRJNGYUQMPLR-KBXCAEBGSA-N 1 1 347.415 0.525 20 30 ECEDMO CN(C)c1ncc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1C ZINC000515467960 267295513 /nfs/dbraw/zinc/29/55/13/267295513.db2.gz XPFBRJJBEVPNAZ-UHFFFAOYSA-N 1 1 348.432 0.316 20 30 ECEDMO COC(=O)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCOCC1 ZINC000525268850 267363114 /nfs/dbraw/zinc/36/31/14/267363114.db2.gz CICZTSJHFFFHPX-MRXNPFEDSA-N 1 1 348.399 0.952 20 30 ECEDMO COC(=O)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCOCC1 ZINC000525268850 267363115 /nfs/dbraw/zinc/36/31/15/267363115.db2.gz CICZTSJHFFFHPX-MRXNPFEDSA-N 1 1 348.399 0.952 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296299223 267382736 /nfs/dbraw/zinc/38/27/36/267382736.db2.gz VYIAXKQJQGGVRD-OAHLLOKOSA-N 1 1 344.415 0.768 20 30 ECEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CCCN3C(=O)CNC3=O)C2)nc1 ZINC000292274931 268182010 /nfs/dbraw/zinc/18/20/10/268182010.db2.gz SMBRCWQRJHQQQH-CYBMUJFWSA-N 1 1 329.360 0.348 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCN2CC[C@H]([NH+]3CCCC3)C2)nc1 ZINC000368009625 268188858 /nfs/dbraw/zinc/18/88/58/268188858.db2.gz XITGNAYCEVIWCJ-HNNXBMFYSA-N 1 1 334.445 0.897 20 30 ECEDMO N#Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000377736412 268238151 /nfs/dbraw/zinc/23/81/51/268238151.db2.gz AVPSWKNDJDKDPI-QGZVFWFLSA-N 1 1 328.416 0.695 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000284118402 268248831 /nfs/dbraw/zinc/24/88/31/268248831.db2.gz VEURUKYZKUYQES-HNNXBMFYSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000333175796 268308062 /nfs/dbraw/zinc/30/80/62/268308062.db2.gz QZFYACPJEGDWHM-HNNXBMFYSA-N 1 1 347.400 0.622 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000329468811 276195819 /nfs/dbraw/zinc/19/58/19/276195819.db2.gz XOQSIIKIPBMERB-GFCCVEGCSA-N 1 1 337.424 0.064 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329107144 277220498 /nfs/dbraw/zinc/22/04/98/277220498.db2.gz HTZWFHSGNFARPL-BFYDXBDKSA-N 1 1 341.452 0.939 20 30 ECEDMO C[C@H](O)C[NH+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000189419496 437597721 /nfs/dbraw/zinc/59/77/21/437597721.db2.gz MQUDPEZANQRURX-YOEHRIQHSA-N 1 1 328.416 0.662 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCn3ncnc3C2)C[C@@H](C)O1 ZINC000329936368 288065240 /nfs/dbraw/zinc/06/52/40/288065240.db2.gz RLOMFQORYIJYGF-CHWSQXEVSA-N 1 1 336.440 0.896 20 30 ECEDMO CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CCCS1(=O)=O ZINC000329086686 280133830 /nfs/dbraw/zinc/13/38/30/280133830.db2.gz GYEKUVYNDFSIGV-UONOGXRCSA-N 1 1 346.497 0.249 20 30 ECEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000331288752 280248005 /nfs/dbraw/zinc/24/80/05/280248005.db2.gz NMBPQBUXFJYVFE-CHWSQXEVSA-N 1 1 332.470 0.528 20 30 ECEDMO C=CC[N@@H+](CC(=O)NC(=O)NC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343572919 437606060 /nfs/dbraw/zinc/60/60/60/437606060.db2.gz PKHZKYKCTPXNAQ-GFCCVEGCSA-N 1 1 343.391 0.667 20 30 ECEDMO C=CC[N@H+](CC(=O)NC(=O)NC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343572919 437606064 /nfs/dbraw/zinc/60/60/64/437606064.db2.gz PKHZKYKCTPXNAQ-GFCCVEGCSA-N 1 1 343.391 0.667 20 30 ECEDMO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000343603552 437607692 /nfs/dbraw/zinc/60/76/92/437607692.db2.gz CTRXTYVXCKOCBY-RDTXWAMCSA-N 1 1 347.415 0.525 20 30 ECEDMO C=CCOC[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C(=O)OC ZINC000360467290 437608666 /nfs/dbraw/zinc/60/86/66/437608666.db2.gz JRHGZOKAESNACX-CQSZACIVSA-N 1 1 337.376 0.744 20 30 ECEDMO CNC(=O)CN1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000330804147 437619762 /nfs/dbraw/zinc/61/97/62/437619762.db2.gz KZRORNOUROHZME-AWEZNQCLSA-N 1 1 339.484 0.384 20 30 ECEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000190365332 437623235 /nfs/dbraw/zinc/62/32/35/437623235.db2.gz ADDRYIWXYASWBW-HUUCEWRRSA-N 1 1 334.482 0.686 20 30 ECEDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000329368551 297091753 /nfs/dbraw/zinc/09/17/53/297091753.db2.gz HYOANIWBGARZGK-HZSPNIEDSA-N 1 1 344.481 0.493 20 30 ECEDMO C[C@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@@H+]1CC(C)(C)O ZINC000349576387 300275964 /nfs/dbraw/zinc/27/59/64/300275964.db2.gz GCQROOHPKDYZRM-ZDUSSCGKSA-N 1 1 329.466 0.787 20 30 ECEDMO C[C@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@H+]1CC(C)(C)O ZINC000349576387 300275966 /nfs/dbraw/zinc/27/59/66/300275966.db2.gz GCQROOHPKDYZRM-ZDUSSCGKSA-N 1 1 329.466 0.787 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000072767515 436053911 /nfs/dbraw/zinc/05/39/11/436053911.db2.gz ACCDGLMQAXRQBB-MRXNPFEDSA-N 1 1 333.436 0.439 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000073650758 436088079 /nfs/dbraw/zinc/08/80/79/436088079.db2.gz ZGDMGXQGOIHGLF-UHFFFAOYSA-N 1 1 347.394 0.661 20 30 ECEDMO N#Cc1ccc(NCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000076458604 436207371 /nfs/dbraw/zinc/20/73/71/436207371.db2.gz BRHVIFPDLCYXSN-OAHLLOKOSA-N 1 1 343.431 0.674 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000077842116 436256926 /nfs/dbraw/zinc/25/69/26/436256926.db2.gz CMTIKBCQMVJJGE-QGZVFWFLSA-N 1 1 343.427 0.960 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC000081670058 436354139 /nfs/dbraw/zinc/35/41/39/436354139.db2.gz CQPKJTYDESMSBU-KRWDZBQOSA-N 1 1 348.491 0.248 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000081665979 436352248 /nfs/dbraw/zinc/35/22/48/436352248.db2.gz AQWYFRVMZYOHBN-KRWDZBQOSA-N 1 1 346.475 0.002 20 30 ECEDMO C[C@H]1C[N@H+](C2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)CCO1 ZINC000079491525 436299688 /nfs/dbraw/zinc/29/96/88/436299688.db2.gz KPIBMLWTHPOSNL-KSSFIOAISA-N 1 1 334.464 0.980 20 30 ECEDMO C[C@](O)(CNC(=O)CCc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000080895792 436331562 /nfs/dbraw/zinc/33/15/62/436331562.db2.gz MTSWYQBKDUPVBZ-SFHVURJKSA-N 1 1 331.416 0.690 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+](CCO)CCN2CCOCC2)c1 ZINC000086231177 436391014 /nfs/dbraw/zinc/39/10/14/436391014.db2.gz CJJWMKINRQTDNZ-UHFFFAOYSA-N 1 1 346.431 0.513 20 30 ECEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000086446670 436393869 /nfs/dbraw/zinc/39/38/69/436393869.db2.gz DCLHZKVZYVHDNT-ZDUSSCGKSA-N 1 1 332.408 0.726 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000091217065 436444432 /nfs/dbraw/zinc/44/44/32/436444432.db2.gz IYQOQTLGVYJJPY-UONOGXRCSA-N 1 1 329.466 0.549 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089778598 436417766 /nfs/dbraw/zinc/41/77/66/436417766.db2.gz HIOPAMTWPJVBNK-CVEARBPZSA-N 1 1 337.445 0.845 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089778598 436417770 /nfs/dbraw/zinc/41/77/70/436417770.db2.gz HIOPAMTWPJVBNK-CVEARBPZSA-N 1 1 337.445 0.845 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000089925883 436421251 /nfs/dbraw/zinc/42/12/51/436421251.db2.gz NHUMXMBTSPCILQ-JSGCOSHPSA-N 1 1 349.435 0.566 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000089925884 436421393 /nfs/dbraw/zinc/42/13/93/436421393.db2.gz NHUMXMBTSPCILQ-OCCSQVGLSA-N 1 1 349.435 0.566 20 30 ECEDMO N#Cc1cccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000104788107 436562787 /nfs/dbraw/zinc/56/27/87/436562787.db2.gz AMVYJUHWJSFZRW-MRXNPFEDSA-N 1 1 343.431 0.945 20 30 ECEDMO Cc1nc(CN2CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2)no1 ZINC000105866810 436583240 /nfs/dbraw/zinc/58/32/40/436583240.db2.gz SKYJBKUMZVAJJM-ZDUSSCGKSA-N 1 1 334.424 0.646 20 30 ECEDMO Cc1nc(CN2CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2)no1 ZINC000105866810 436583241 /nfs/dbraw/zinc/58/32/41/436583241.db2.gz SKYJBKUMZVAJJM-ZDUSSCGKSA-N 1 1 334.424 0.646 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)/C=C/c2cncc(C(=O)NC)c2)CC1 ZINC000110679189 436628495 /nfs/dbraw/zinc/62/84/95/436628495.db2.gz BEGFYVPQEGUIGX-AATRIKPKSA-N 1 1 326.400 0.622 20 30 ECEDMO C[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)[NH+]1CCN(C)CC1 ZINC000111661727 436631450 /nfs/dbraw/zinc/63/14/50/436631450.db2.gz KVXBMDOTMDTWPP-HNNXBMFYSA-N 1 1 330.432 0.884 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CC(C)(C)O)CC2)o1 ZINC000114727762 436643502 /nfs/dbraw/zinc/64/35/02/436643502.db2.gz SJNGIVKLOGYJGE-UHFFFAOYSA-N 1 1 335.408 0.206 20 30 ECEDMO CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)N(C)CCC#N)[C@H](C)C1 ZINC000115591931 436647865 /nfs/dbraw/zinc/64/78/65/436647865.db2.gz JJMPAVDUDBYFOA-HUUCEWRRSA-N 1 1 346.497 0.803 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+](C)C2CC2)c1 ZINC000063117174 436642008 /nfs/dbraw/zinc/64/20/08/436642008.db2.gz MYSVBCMMPPEUIF-UHFFFAOYSA-N 1 1 337.445 0.975 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000269719367 436668349 /nfs/dbraw/zinc/66/83/49/436668349.db2.gz TUGQOZCFUCBNBI-LBPRGKRZSA-N 1 1 337.424 0.266 20 30 ECEDMO C=CCNC(=O)CN1CC[N@H+](CC(=O)NCC=C)[C@@H]([C@H](C)CC)C1 ZINC000269984341 436669918 /nfs/dbraw/zinc/66/99/18/436669918.db2.gz ZYSNDODBKLJDEU-HZPDHXFCSA-N 1 1 336.480 0.623 20 30 ECEDMO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)[C@@H]([C@H](C)CC)C1 ZINC000269984341 436669920 /nfs/dbraw/zinc/66/99/20/436669920.db2.gz ZYSNDODBKLJDEU-HZPDHXFCSA-N 1 1 336.480 0.623 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000068606784 436750466 /nfs/dbraw/zinc/75/04/66/436750466.db2.gz MMXVKRWNAMIJTA-UHFFFAOYSA-N 1 1 343.431 0.639 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131251202 436851033 /nfs/dbraw/zinc/85/10/33/436851033.db2.gz ZZIZWIUTCWZZQJ-DZGCQCFKSA-N 1 1 335.452 0.161 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000293302543 436864847 /nfs/dbraw/zinc/86/48/47/436864847.db2.gz HQLGHMRYERVPHJ-UHFFFAOYSA-N 1 1 339.399 0.882 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000293392767 436872544 /nfs/dbraw/zinc/87/25/44/436872544.db2.gz NVENJRLFRNBYJO-UHFFFAOYSA-N 1 1 340.330 0.693 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000293836391 436912615 /nfs/dbraw/zinc/91/26/15/436912615.db2.gz QDUISDRCILWPHL-UHFFFAOYSA-N 1 1 349.456 0.829 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000293908002 436918835 /nfs/dbraw/zinc/91/88/35/436918835.db2.gz FTGOWCBAPMCDTG-KDOFPFPSSA-N 1 1 348.447 0.558 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCN1c2ccccc2OCC1=O ZINC000293947338 436921449 /nfs/dbraw/zinc/92/14/49/436921449.db2.gz JSWREADFEOWALN-UHFFFAOYSA-N 1 1 329.400 0.873 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000293439654 436878341 /nfs/dbraw/zinc/87/83/41/436878341.db2.gz RNYZLGPEQFHADT-UHFFFAOYSA-N 1 1 339.399 0.882 20 30 ECEDMO C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@@H]1CN(C)CCN1C ZINC000261818790 436890748 /nfs/dbraw/zinc/89/07/48/436890748.db2.gz UFIRDRRBYPEYKG-CQSZACIVSA-N 1 1 338.525 0.713 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC000293694694 436899602 /nfs/dbraw/zinc/89/96/02/436899602.db2.gz CCINFQSJBQYCCH-UHFFFAOYSA-N 1 1 337.445 0.556 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000161961634 436900657 /nfs/dbraw/zinc/90/06/57/436900657.db2.gz WKPJXDPXZPDDNG-UHFFFAOYSA-N 1 1 344.415 0.705 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162430264 436905965 /nfs/dbraw/zinc/90/59/65/436905965.db2.gz BRRSOXAZMOECAL-IAGOWNOFSA-N 1 1 348.491 0.814 20 30 ECEDMO COc1ccc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1C#N ZINC000135061184 436909293 /nfs/dbraw/zinc/90/92/93/436909293.db2.gz UNJXPYMXVJCOHP-CYBMUJFWSA-N 1 1 338.433 0.572 20 30 ECEDMO COc1ccc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1C#N ZINC000135061184 436909297 /nfs/dbraw/zinc/90/92/97/436909297.db2.gz UNJXPYMXVJCOHP-CYBMUJFWSA-N 1 1 338.433 0.572 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281375216 436965129 /nfs/dbraw/zinc/96/51/29/436965129.db2.gz OSFHVDJMMKXGGH-FMKPAKJESA-N 1 1 331.372 0.728 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+](CC)C2CC2)c1 ZINC000263698416 436978624 /nfs/dbraw/zinc/97/86/24/436978624.db2.gz IBQUUJGMNPMSHS-UHFFFAOYSA-N 1 1 349.456 0.812 20 30 ECEDMO Cn1cc([C@H](CO)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cn1 ZINC000275215992 436941519 /nfs/dbraw/zinc/94/15/19/436941519.db2.gz SVJKDRLEPSEVRQ-INIZCTEOSA-N 1 1 327.388 0.990 20 30 ECEDMO C[C@@]1(C(N)=O)CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000281153376 436950873 /nfs/dbraw/zinc/95/08/73/436950873.db2.gz OPOAXBWNAUSCFO-SUMWQHHRSA-N 1 1 326.356 0.387 20 30 ECEDMO CNC(=O)[C@@]1(C)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000281165440 436952501 /nfs/dbraw/zinc/95/25/01/436952501.db2.gz QAIKNYXMEMBYGV-INIZCTEOSA-N 1 1 335.429 0.790 20 30 ECEDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000281165440 436952505 /nfs/dbraw/zinc/95/25/05/436952505.db2.gz QAIKNYXMEMBYGV-INIZCTEOSA-N 1 1 335.429 0.790 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000296228816 436986780 /nfs/dbraw/zinc/98/67/80/436986780.db2.gz FCEDTKKKABQLLI-UHFFFAOYSA-N 1 1 342.443 0.826 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000296958328 436997718 /nfs/dbraw/zinc/99/77/18/436997718.db2.gz QRLZHMIRIXVCIU-UHFFFAOYSA-N 1 1 334.399 0.402 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CC[C@@](COC)(C(=O)OC)C1 ZINC000296907904 436998397 /nfs/dbraw/zinc/99/83/97/436998397.db2.gz NPGWYUMGRKUBEV-MRXNPFEDSA-N 1 1 325.409 0.163 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000286457631 437089768 /nfs/dbraw/zinc/08/97/68/437089768.db2.gz GAXIBWKWXQWDCI-MRXNPFEDSA-N 1 1 344.415 0.354 20 30 ECEDMO C[N@@H+](CCNC(=O)NCCNC(=O)C1N=CC=CC1=O)C1CCCC1 ZINC000264802154 437086644 /nfs/dbraw/zinc/08/66/44/437086644.db2.gz UIQBQLPFXNTGQE-NXVVXOECSA-N 1 1 349.435 0.686 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264807631 437087306 /nfs/dbraw/zinc/08/73/06/437087306.db2.gz XOPAVRADHCODTM-CQSZACIVSA-N 1 1 332.404 0.308 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C#N)(N(C)C)CC1 ZINC000331439809 437096259 /nfs/dbraw/zinc/09/62/59/437096259.db2.gz XFMHHQLMXXNBQO-DZGCQCFKSA-N 1 1 347.463 0.032 20 30 ECEDMO C=C(Cl)CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000265559948 437152012 /nfs/dbraw/zinc/15/20/12/437152012.db2.gz SGLCSGXYKUCULI-ZDUSSCGKSA-N 1 1 329.828 0.568 20 30 ECEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000304043536 437155959 /nfs/dbraw/zinc/15/59/59/437155959.db2.gz JBHNIKSFHYWOCR-CQSZACIVSA-N 1 1 346.406 0.803 20 30 ECEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H](O)CN1CCOCC1 ZINC000177363750 437179793 /nfs/dbraw/zinc/17/97/93/437179793.db2.gz JYLKLOLSAYRBGG-KRWDZBQOSA-N 1 1 346.431 0.512 20 30 ECEDMO CN(C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332055330 437201585 /nfs/dbraw/zinc/20/15/85/437201585.db2.gz OIWCLLZRHIXHPZ-HUUCEWRRSA-N 1 1 347.463 0.176 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[N@@H+](C)C1 ZINC000332386247 437217288 /nfs/dbraw/zinc/21/72/88/437217288.db2.gz JMBWDBDGRRFHSV-GJZGRUSLSA-N 1 1 329.404 0.321 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCc1c[nH]c2ncccc12 ZINC000328725129 437255797 /nfs/dbraw/zinc/25/57/97/437255797.db2.gz TVJLFNNBDFGGLQ-CQSZACIVSA-N 1 1 330.436 0.855 20 30 ECEDMO C[C@@H](CNC(=O)N1CCN(C2CC2)C(=O)C1)CN1CC[NH+](C)CC1 ZINC000328727669 437258103 /nfs/dbraw/zinc/25/81/03/437258103.db2.gz VDUJCMQPHZAMFB-AWEZNQCLSA-N 1 1 337.468 0.091 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NCc3cccnc3)CC2)CC1 ZINC000328791312 437262971 /nfs/dbraw/zinc/26/29/71/437262971.db2.gz QSQKUKPGNZPWEA-UHFFFAOYSA-N 1 1 345.447 0.982 20 30 ECEDMO CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336918706 437310646 /nfs/dbraw/zinc/31/06/46/437310646.db2.gz OSGWSCWWYFZRCR-CABCVRRESA-N 1 1 344.481 0.700 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000336921094 437311532 /nfs/dbraw/zinc/31/15/32/437311532.db2.gz RVDJHPKBXCULBT-OAHLLOKOSA-N 1 1 346.497 0.947 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000336929603 437312740 /nfs/dbraw/zinc/31/27/40/437312740.db2.gz YMWXTIDFHJAFFW-AWEZNQCLSA-N 1 1 332.470 0.557 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@]2(C)CCCOC2)CC1 ZINC000329108524 437319319 /nfs/dbraw/zinc/31/93/19/437319319.db2.gz FJUFNMVESAUGEZ-MRXNPFEDSA-N 1 1 326.441 0.612 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cnc3n[nH]nc3c2)CC1 ZINC000329112960 437319851 /nfs/dbraw/zinc/31/98/51/437319851.db2.gz KZOJXYOAIUJPCN-GFCCVEGCSA-N 1 1 331.424 0.931 20 30 ECEDMO C[C@H](CNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)C[NH+]1CCOCC1 ZINC000328884243 437279437 /nfs/dbraw/zinc/27/94/37/437279437.db2.gz NSUMINAGDKNFDQ-PMPSAXMXSA-N 1 1 340.468 0.274 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000180407255 437288960 /nfs/dbraw/zinc/28/89/60/437288960.db2.gz XQWDKJCODUMAQC-UHFFFAOYSA-N 1 1 327.450 0.664 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C2)C1 ZINC001041727953 782066886 /nfs/dbraw/zinc/06/68/86/782066886.db2.gz ASYRPGIBSMUODY-QFBILLFUSA-N 1 1 329.444 0.945 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000328976427 437295866 /nfs/dbraw/zinc/29/58/66/437295866.db2.gz CZHUVYNNMPLHNN-RRFJBIMHSA-N 1 1 343.493 0.811 20 30 ECEDMO Cn1c2ncn(CC[N@H+](CCC#N)CC(C)(C)C)c2c(=O)n(C)c1=O ZINC000182334487 437345815 /nfs/dbraw/zinc/34/58/15/437345815.db2.gz KTECZSZWDVVFHN-UHFFFAOYSA-N 1 1 346.435 0.695 20 30 ECEDMO Cn1c2ncn(CC[N@@H+](CCC#N)CC(C)(C)C)c2c(=O)n(C)c1=O ZINC000182334487 437345819 /nfs/dbraw/zinc/34/58/19/437345819.db2.gz KTECZSZWDVVFHN-UHFFFAOYSA-N 1 1 346.435 0.695 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@H](C)C1=CC[N@@H+](C)CC1)CC2 ZINC000329312132 437351888 /nfs/dbraw/zinc/35/18/88/437351888.db2.gz RIJGAHKPUKDZEG-TZMCWYRMSA-N 1 1 348.451 0.893 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@H](C)C1=CC[N@H+](C)CC1)CC2 ZINC000329312132 437351892 /nfs/dbraw/zinc/35/18/92/437351892.db2.gz RIJGAHKPUKDZEG-TZMCWYRMSA-N 1 1 348.451 0.893 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@H](C)C1=CC[N@@H+](C)CC1)CC2 ZINC000329312132 437351897 /nfs/dbraw/zinc/35/18/97/437351897.db2.gz RIJGAHKPUKDZEG-TZMCWYRMSA-N 1 1 348.451 0.893 20 30 ECEDMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCO[C@H](C#N)C2)CCC[N@H+]1C ZINC000329351663 437355311 /nfs/dbraw/zinc/35/53/11/437355311.db2.gz UGQXMJBZTLMJFO-SQWLQELKSA-N 1 1 346.435 0.941 20 30 ECEDMO O=C(C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)NC[C@@H]1CCCO1 ZINC000329136226 437323436 /nfs/dbraw/zinc/32/34/36/437323436.db2.gz QXMOLDUPNPMVSC-YOEHRIQHSA-N 1 1 339.436 0.571 20 30 ECEDMO O=C(C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)NC[C@@H]1CCCO1 ZINC000329136226 437323438 /nfs/dbraw/zinc/32/34/38/437323438.db2.gz QXMOLDUPNPMVSC-YOEHRIQHSA-N 1 1 339.436 0.571 20 30 ECEDMO CCN1CCCC[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000267396514 437327061 /nfs/dbraw/zinc/32/70/61/437327061.db2.gz FAQMFNPVBDAPHR-OAHLLOKOSA-N 1 1 331.468 0.788 20 30 ECEDMO CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000329171898 437330885 /nfs/dbraw/zinc/33/08/85/437330885.db2.gz KUZGJZYCGNGBBO-GXTWGEPZSA-N 1 1 346.497 0.848 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000337099116 437332915 /nfs/dbraw/zinc/33/29/15/437332915.db2.gz UKFDAXVAPWDHKJ-GASCZTMLSA-N 1 1 346.497 0.946 20 30 ECEDMO CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000329207565 437335097 /nfs/dbraw/zinc/33/50/97/437335097.db2.gz XSQYCGHZKNRRBG-RRFJBIMHSA-N 1 1 338.452 0.705 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)[NH+]1CCOCC1 ZINC000329760162 437409405 /nfs/dbraw/zinc/40/94/05/437409405.db2.gz PUQSTQGLNRFZDW-VGWMRTNUSA-N 1 1 325.453 0.960 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000329812290 437416413 /nfs/dbraw/zinc/41/64/13/437416413.db2.gz CFYHSZIDSMAMBE-CYBMUJFWSA-N 1 1 330.396 0.234 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000329835705 437419658 /nfs/dbraw/zinc/41/96/58/437419658.db2.gz UXUSJXIYZXJGCT-YPMHNXCESA-N 1 1 329.466 0.892 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000329835705 437419663 /nfs/dbraw/zinc/41/96/63/437419663.db2.gz UXUSJXIYZXJGCT-YPMHNXCESA-N 1 1 329.466 0.892 20 30 ECEDMO Cc1ccn(C)c(=O)c1NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000329847346 437421062 /nfs/dbraw/zinc/42/10/62/437421062.db2.gz MSCBFXILXFCHFP-ZDUSSCGKSA-N 1 1 335.452 0.903 20 30 ECEDMO CN(CCC#N)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000338833350 437421960 /nfs/dbraw/zinc/42/19/60/437421960.db2.gz ZHRPYCJQEGBDDB-UHFFFAOYSA-N 1 1 331.376 0.497 20 30 ECEDMO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000330206438 437469970 /nfs/dbraw/zinc/46/99/70/437469970.db2.gz FDKLDVYMKKBQFK-CZUORRHYSA-N 1 1 349.435 0.618 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000290229014 437472487 /nfs/dbraw/zinc/47/24/87/437472487.db2.gz YEMXYVVEONCCGR-UHFFFAOYSA-N 1 1 331.420 0.823 20 30 ECEDMO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC[N@H+]1C[C@@H](C)O ZINC000330243094 437473411 /nfs/dbraw/zinc/47/34/11/437473411.db2.gz CKAIMWNJJZVWLI-RBSFLKMASA-N 1 1 335.452 0.889 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@@H]2CCn3ccnc3C2)CC[N@@H+]1C[C@@H](C)O ZINC000330243094 437473412 /nfs/dbraw/zinc/47/34/12/437473412.db2.gz CKAIMWNJJZVWLI-RBSFLKMASA-N 1 1 335.452 0.889 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@@H]2CCn3ccnc3C2)CC[N@H+]1C[C@@H](C)O ZINC000330243094 437473413 /nfs/dbraw/zinc/47/34/13/437473413.db2.gz CKAIMWNJJZVWLI-RBSFLKMASA-N 1 1 335.452 0.889 20 30 ECEDMO CC(C)[N@@H+]1CCCN([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000330261616 437475544 /nfs/dbraw/zinc/47/55/44/437475544.db2.gz UIZRLKUOGNVWDK-KGLIPLIRSA-N 1 1 331.482 0.935 20 30 ECEDMO CC(C)[N@H+]1CCCN([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000330261616 437475548 /nfs/dbraw/zinc/47/55/48/437475548.db2.gz UIZRLKUOGNVWDK-KGLIPLIRSA-N 1 1 331.482 0.935 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290315892 437478762 /nfs/dbraw/zinc/47/87/62/437478762.db2.gz VBHJJVOJTMDVFF-UHFFFAOYSA-N 1 1 336.367 0.720 20 30 ECEDMO CS(=O)(=O)N1CCC[C@H](NC(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000329975973 437439999 /nfs/dbraw/zinc/43/99/99/437439999.db2.gz YHPXFIQDLQQFDI-ZDUSSCGKSA-N 1 1 330.454 0.176 20 30 ECEDMO CN(CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCS(=O)(=O)C1 ZINC000330081529 437452160 /nfs/dbraw/zinc/45/21/60/437452160.db2.gz JZIKKWHBUJFLFE-MGPQQGTHSA-N 1 1 329.466 0.689 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185928260 437455426 /nfs/dbraw/zinc/45/54/26/437455426.db2.gz AUNJFGXGAPPYQM-UHFFFAOYSA-N 1 1 331.825 0.804 20 30 ECEDMO C[N@@H+](CCO)C1CCN(C(=O)NC[C@H]2CCCCS2(=O)=O)CC1 ZINC000330166453 437463666 /nfs/dbraw/zinc/46/36/66/437463666.db2.gz YBCDWEXXXXKYEJ-CQSZACIVSA-N 1 1 347.481 0.256 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000343079546 437492492 /nfs/dbraw/zinc/49/24/92/437492492.db2.gz PALFZCLSSHDCAL-UHFFFAOYSA-N 1 1 325.372 0.849 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000330377367 437495001 /nfs/dbraw/zinc/49/50/01/437495001.db2.gz FFIDYKATJMVCOK-OLZOCXBDSA-N 1 1 325.438 0.761 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000330377387 437496352 /nfs/dbraw/zinc/49/63/52/437496352.db2.gz FGKBSVWWENKWBB-KGLIPLIRSA-N 1 1 332.470 0.365 20 30 ECEDMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000330383044 437497993 /nfs/dbraw/zinc/49/79/93/437497993.db2.gz XVWUTYKGCCQUOM-UHFFFAOYSA-N 1 1 337.449 0.357 20 30 ECEDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000187827777 437516103 /nfs/dbraw/zinc/51/61/03/437516103.db2.gz WMLMKWVLXMIFTC-ZDUSSCGKSA-N 1 1 344.415 0.800 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000187827777 437516106 /nfs/dbraw/zinc/51/61/06/437516106.db2.gz WMLMKWVLXMIFTC-ZDUSSCGKSA-N 1 1 344.415 0.800 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 ZINC000330463554 437519053 /nfs/dbraw/zinc/51/90/53/437519053.db2.gz ZXQVAKKSWVFURN-UHFFFAOYSA-N 1 1 343.409 0.740 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000330477242 437526077 /nfs/dbraw/zinc/52/60/77/437526077.db2.gz IRNJYVNWJZELKK-AWEZNQCLSA-N 1 1 326.441 0.205 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)c2cn(C)nc2C)CC1 ZINC000330504506 437533810 /nfs/dbraw/zinc/53/38/10/437533810.db2.gz DYSFBGWQDQAPDL-LLVKDONJSA-N 1 1 336.440 0.504 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000291760400 437624878 /nfs/dbraw/zinc/62/48/78/437624878.db2.gz LCWOGRQIJROHLK-IAGOWNOFSA-N 1 1 344.463 0.822 20 30 ECEDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000330634136 437573442 /nfs/dbraw/zinc/57/34/42/437573442.db2.gz BFIFTAJIIUYKBF-HUUCEWRRSA-N 1 1 336.436 0.174 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000330664355 437582540 /nfs/dbraw/zinc/58/25/40/437582540.db2.gz FVKATUJWEWOQMR-CYBMUJFWSA-N 1 1 337.445 0.927 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1 ZINC000330664355 437582546 /nfs/dbraw/zinc/58/25/46/437582546.db2.gz FVKATUJWEWOQMR-CYBMUJFWSA-N 1 1 337.445 0.927 20 30 ECEDMO N#CCCCCS(=O)(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000360698935 437632048 /nfs/dbraw/zinc/63/20/48/437632048.db2.gz MOIQNLHNBCRCMO-HUUCEWRRSA-N 1 1 329.466 0.931 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330852620 437632612 /nfs/dbraw/zinc/63/26/12/437632612.db2.gz FZEKPGCXSJUQBM-GOSISDBHSA-N 1 1 337.464 0.716 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000291900792 437639260 /nfs/dbraw/zinc/63/92/60/437639260.db2.gz PXQJRUCCZCVIBC-HNNXBMFYSA-N 1 1 347.419 0.694 20 30 ECEDMO CCC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000330878051 437640526 /nfs/dbraw/zinc/64/05/26/437640526.db2.gz XXQREHTYONHTPY-CHWSQXEVSA-N 1 1 345.465 0.858 20 30 ECEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000330878051 437640529 /nfs/dbraw/zinc/64/05/29/437640529.db2.gz XXQREHTYONHTPY-CHWSQXEVSA-N 1 1 345.465 0.858 20 30 ECEDMO Cc1onc(CC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1C#N ZINC000354731069 437649630 /nfs/dbraw/zinc/64/96/30/437649630.db2.gz ADJGDSLMHIIRBF-UHFFFAOYSA-N 1 1 333.436 0.882 20 30 ECEDMO Cc1onc(CC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1C#N ZINC000354731069 437649637 /nfs/dbraw/zinc/64/96/37/437649637.db2.gz ADJGDSLMHIIRBF-UHFFFAOYSA-N 1 1 333.436 0.882 20 30 ECEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC(=O)NCC#N ZINC000344869842 437766335 /nfs/dbraw/zinc/76/63/35/437766335.db2.gz DFKYBOCNPPQEQM-AWEZNQCLSA-N 1 1 329.404 0.542 20 30 ECEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC(=O)NCC#N ZINC000344869842 437766337 /nfs/dbraw/zinc/76/63/37/437766337.db2.gz DFKYBOCNPPQEQM-AWEZNQCLSA-N 1 1 329.404 0.542 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000331227367 437721757 /nfs/dbraw/zinc/72/17/57/437721757.db2.gz FZFZJZWZDQPQFA-RYUDHWBXSA-N 1 1 348.469 0.219 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000331227367 437721762 /nfs/dbraw/zinc/72/17/62/437721762.db2.gz FZFZJZWZDQPQFA-RYUDHWBXSA-N 1 1 348.469 0.219 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](CO)C[C@@H]2C)CC1 ZINC000344163013 437741704 /nfs/dbraw/zinc/74/17/04/437741704.db2.gz ZQGIMTYDZGNOHO-BBWFWOEESA-N 1 1 336.480 0.772 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000344500624 437757784 /nfs/dbraw/zinc/75/77/84/437757784.db2.gz AZDGWYIFHKWJFW-PMPSAXMXSA-N 1 1 334.416 0.729 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000344500624 437757786 /nfs/dbraw/zinc/75/77/86/437757786.db2.gz AZDGWYIFHKWJFW-PMPSAXMXSA-N 1 1 334.416 0.729 20 30 ECEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)NCC(=O)NCC#N)[C@H](C)C1 ZINC000345020794 437776409 /nfs/dbraw/zinc/77/64/09/437776409.db2.gz ZTICGTRHFAAENA-KGLIPLIRSA-N 1 1 339.440 0.062 20 30 ECEDMO N#Cc1ccc(NCC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000341046178 437783829 /nfs/dbraw/zinc/78/38/29/437783829.db2.gz AMIXRYWRRORETE-OAHLLOKOSA-N 1 1 329.404 0.426 20 30 ECEDMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)N(C)CCC#N)cc1 ZINC000341096361 437794175 /nfs/dbraw/zinc/79/41/75/437794175.db2.gz VDXYPEWLNUFUIN-HNNXBMFYSA-N 1 1 340.449 0.978 20 30 ECEDMO CC#CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000423706899 437807705 /nfs/dbraw/zinc/80/77/05/437807705.db2.gz NLHTVCATKOBJAL-HNNXBMFYSA-N 1 1 329.400 0.650 20 30 ECEDMO CC(C)(O)C[N@H+]1CCCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000364160128 437813180 /nfs/dbraw/zinc/81/31/80/437813180.db2.gz ZNGBKCJXHPBSBN-UHFFFAOYSA-N 1 1 344.459 0.953 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000364220627 437813379 /nfs/dbraw/zinc/81/33/79/437813379.db2.gz JGBYMTSNOFKSDA-NVXWUHKLSA-N 1 1 348.495 0.394 20 30 ECEDMO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(=O)n(C)c1=O ZINC000371465125 437937641 /nfs/dbraw/zinc/93/76/41/437937641.db2.gz ZTLOOBSKRIVAAR-INIZCTEOSA-N 1 1 340.383 0.529 20 30 ECEDMO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(=O)n(C)c1=O ZINC000371465125 437937648 /nfs/dbraw/zinc/93/76/48/437937648.db2.gz ZTLOOBSKRIVAAR-INIZCTEOSA-N 1 1 340.383 0.529 20 30 ECEDMO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(=O)n(C)c1=O ZINC000371465126 437939150 /nfs/dbraw/zinc/93/91/50/437939150.db2.gz ZTLOOBSKRIVAAR-MRXNPFEDSA-N 1 1 340.383 0.529 20 30 ECEDMO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(=O)n(C)c1=O ZINC000371465126 437939156 /nfs/dbraw/zinc/93/91/56/437939156.db2.gz ZTLOOBSKRIVAAR-MRXNPFEDSA-N 1 1 340.383 0.529 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000357305150 437959929 /nfs/dbraw/zinc/95/99/29/437959929.db2.gz IRORPSZDYYUKCK-AWEZNQCLSA-N 1 1 346.435 1.034 20 30 ECEDMO COC(=O)[C@@H]1CC[N@@H+](CC#CCN2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000342117362 437971811 /nfs/dbraw/zinc/97/18/11/437971811.db2.gz AVFNSJMAVGQGFM-SYMSYNOKSA-N 1 1 336.432 0.757 20 30 ECEDMO COC(=O)[C@@H]1CC[N@H+](CC#CCN2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000342117362 437971818 /nfs/dbraw/zinc/97/18/18/437971818.db2.gz AVFNSJMAVGQGFM-SYMSYNOKSA-N 1 1 336.432 0.757 20 30 ECEDMO COC(=O)[C@@H]1CCN(CC#CC[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000342117362 437971820 /nfs/dbraw/zinc/97/18/20/437971820.db2.gz AVFNSJMAVGQGFM-SYMSYNOKSA-N 1 1 336.432 0.757 20 30 ECEDMO COC(=O)[C@@H]1CCN(CC#CC[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000342117362 437971823 /nfs/dbraw/zinc/97/18/23/437971823.db2.gz AVFNSJMAVGQGFM-SYMSYNOKSA-N 1 1 336.432 0.757 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000424551319 437972312 /nfs/dbraw/zinc/97/23/12/437972312.db2.gz VFAXKYFLYOQXDW-XHSDSOJGSA-N 1 1 344.415 0.262 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357392572 437978734 /nfs/dbraw/zinc/97/87/34/437978734.db2.gz RTGSEBLGHLUMAP-LSDHHAIUSA-N 1 1 340.445 0.518 20 30 ECEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357392572 437978738 /nfs/dbraw/zinc/97/87/38/437978738.db2.gz RTGSEBLGHLUMAP-LSDHHAIUSA-N 1 1 340.445 0.518 20 30 ECEDMO C=CCC1(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CCOCC1 ZINC000424696687 437983676 /nfs/dbraw/zinc/98/36/76/437983676.db2.gz NMLLGHXDRQVIBC-MRXNPFEDSA-N 1 1 326.437 0.559 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000371735119 437984050 /nfs/dbraw/zinc/98/40/50/437984050.db2.gz ISHQYXKZNAKDIQ-ZDUSSCGKSA-N 1 1 329.466 0.903 20 30 ECEDMO C=CCn1cc(CNC(=O)NCCCNc2ccc(C)c[nH+]2)nn1 ZINC000425457120 438025949 /nfs/dbraw/zinc/02/59/49/438025949.db2.gz XWKOKCXDTGMWPF-UHFFFAOYSA-N 1 1 329.408 1.469 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cccc(C#N)c2=O)C1 ZINC000342654880 438042364 /nfs/dbraw/zinc/04/23/64/438042364.db2.gz MRGQXSVMTBOUCK-HNNXBMFYSA-N 1 1 332.404 0.193 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000425908885 438045944 /nfs/dbraw/zinc/04/59/44/438045944.db2.gz KVOVFSSUBBTFMG-WCVJEAGWSA-N 1 1 337.464 0.930 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000425879580 438046365 /nfs/dbraw/zinc/04/63/65/438046365.db2.gz IZYOANADLYOJPC-VGWMRTNUSA-N 1 1 337.464 0.930 20 30 ECEDMO CN1CCN(C(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)C[C@@H]1C#N ZINC000372189398 438048361 /nfs/dbraw/zinc/04/83/61/438048361.db2.gz XRZQIDJNRYAFHB-KBXCAEBGSA-N 1 1 328.416 0.892 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426127724 438049647 /nfs/dbraw/zinc/04/96/47/438049647.db2.gz NGUXIOKNGNIDNJ-MNOVXSKESA-N 1 1 334.342 0.747 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000372546456 438097090 /nfs/dbraw/zinc/09/70/90/438097090.db2.gz KZLIKVFOGGKVMW-ZDUSSCGKSA-N 1 1 326.441 0.165 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000430372076 438110793 /nfs/dbraw/zinc/11/07/93/438110793.db2.gz FJYHERJGZSGSNK-XHSDSOJGSA-N 1 1 337.464 0.932 20 30 ECEDMO CC[C@H](CC#N)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000358060254 438137174 /nfs/dbraw/zinc/13/71/74/438137174.db2.gz FFVMZGJJRKNBLO-HUUCEWRRSA-N 1 1 336.436 0.508 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000366977659 438149650 /nfs/dbraw/zinc/14/96/50/438149650.db2.gz VFBSFOIVAUFRBO-UONOGXRCSA-N 1 1 344.481 0.650 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000366977659 438149653 /nfs/dbraw/zinc/14/96/53/438149653.db2.gz VFBSFOIVAUFRBO-UONOGXRCSA-N 1 1 344.481 0.650 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)N(CCOC)CCOC)CC1 ZINC000358186739 438176669 /nfs/dbraw/zinc/17/66/69/438176669.db2.gz YUDXGRSUGGNWQO-UHFFFAOYSA-N 1 1 335.470 0.066 20 30 ECEDMO Cc1cc(CNC(=O)NCC(=O)NCC#N)cc(N2CCCC2)[nH+]1 ZINC000358254158 438189458 /nfs/dbraw/zinc/18/94/58/438189458.db2.gz IYYWROJLMZHNCE-UHFFFAOYSA-N 1 1 330.392 0.429 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000375315926 438247484 /nfs/dbraw/zinc/24/74/84/438247484.db2.gz BTRACRZVQNSXOS-HOTGVXAUSA-N 1 1 345.451 0.217 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000375315926 438247488 /nfs/dbraw/zinc/24/74/88/438247488.db2.gz BTRACRZVQNSXOS-HOTGVXAUSA-N 1 1 345.451 0.217 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCOC[C@H](C)C3)CC2)o1 ZINC000374329740 438203086 /nfs/dbraw/zinc/20/30/86/438203086.db2.gz GIUFCQTUFNRLKK-CYBMUJFWSA-N 1 1 347.419 0.472 20 30 ECEDMO CC1(C#N)CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000367981481 438272559 /nfs/dbraw/zinc/27/25/59/438272559.db2.gz JVXSFFRWDCHPJI-INIZCTEOSA-N 1 1 349.479 0.728 20 30 ECEDMO N#CCNC(=O)CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000376173504 438272856 /nfs/dbraw/zinc/27/28/56/438272856.db2.gz LOVWIOZBLHEWIZ-AWEZNQCLSA-N 1 1 332.379 0.794 20 30 ECEDMO C[C@@H](NC(=O)NCC(=O)NCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376310300 438276813 /nfs/dbraw/zinc/27/68/13/438276813.db2.gz QKOAOQYZCRWKNK-GDBMZVCRSA-N 1 1 343.431 0.836 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000376382481 438281694 /nfs/dbraw/zinc/28/16/94/438281694.db2.gz MJNSBJGTXLCUDR-INIZCTEOSA-N 1 1 343.431 0.490 20 30 ECEDMO C[C@@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CC[NH+](C)CC1 ZINC000376924809 438295847 /nfs/dbraw/zinc/29/58/47/438295847.db2.gz JJYFTCWYQILQDG-ZDUSSCGKSA-N 1 1 339.403 0.713 20 30 ECEDMO CCOC(=O)[C@@](C)(O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000375367283 438251570 /nfs/dbraw/zinc/25/15/70/438251570.db2.gz FLHFHHSMTGWBCA-KRWDZBQOSA-N 1 1 332.404 0.779 20 30 ECEDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000367818575 438253769 /nfs/dbraw/zinc/25/37/69/438253769.db2.gz IHMNFMBOUKSLLX-YOEHRIQHSA-N 1 1 332.404 0.917 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434987068 438338086 /nfs/dbraw/zinc/33/80/86/438338086.db2.gz KTOVNBKZXXREGQ-INMHGKMJSA-N 1 1 340.468 0.054 20 30 ECEDMO CN(C)c1nc(N2CCN(C(=O)C3(C#N)CCOCC3)CC2)cc[nH+]1 ZINC000351804521 438343971 /nfs/dbraw/zinc/34/39/71/438343971.db2.gz SCUNDWUABMMKLP-UHFFFAOYSA-N 1 1 344.419 0.512 20 30 ECEDMO N#CCNC(=O)CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000377043040 438300226 /nfs/dbraw/zinc/30/02/26/438300226.db2.gz DIYSTHDDSWITRB-CVEARBPZSA-N 1 1 341.415 0.542 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419148716 438349253 /nfs/dbraw/zinc/34/92/53/438349253.db2.gz KHSDXVINVOUWET-CQSZACIVSA-N 1 1 334.445 0.590 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352543241 438437787 /nfs/dbraw/zinc/43/77/87/438437787.db2.gz BTFZPUMWLLITGC-CQSZACIVSA-N 1 1 344.481 0.352 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352543241 438437791 /nfs/dbraw/zinc/43/77/91/438437791.db2.gz BTFZPUMWLLITGC-CQSZACIVSA-N 1 1 344.481 0.352 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000352562998 438444807 /nfs/dbraw/zinc/44/48/07/438444807.db2.gz OMCZZFILXKCZDY-AWEZNQCLSA-N 1 1 344.481 0.352 20 30 ECEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405297308 438467758 /nfs/dbraw/zinc/46/77/58/438467758.db2.gz HSLZBMLHPDNZRV-NWDGAFQWSA-N 1 1 341.820 0.651 20 30 ECEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405297308 438467759 /nfs/dbraw/zinc/46/77/59/438467759.db2.gz HSLZBMLHPDNZRV-NWDGAFQWSA-N 1 1 341.820 0.651 20 30 ECEDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352889409 438488382 /nfs/dbraw/zinc/48/83/82/438488382.db2.gz YNFMWGJFWMNJQP-KBRIMQKVSA-N 1 1 328.416 0.880 20 30 ECEDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352889409 438488386 /nfs/dbraw/zinc/48/83/86/438488386.db2.gz YNFMWGJFWMNJQP-KBRIMQKVSA-N 1 1 328.416 0.880 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353094535 438501744 /nfs/dbraw/zinc/50/17/44/438501744.db2.gz CDSMBHSPUMBQRS-QGZVFWFLSA-N 1 1 325.453 0.838 20 30 ECEDMO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC(O)C1 ZINC000353497733 438506632 /nfs/dbraw/zinc/50/66/32/438506632.db2.gz SROLFAZCNYHSBM-YMAMQOFZSA-N 1 1 348.472 0.912 20 30 ECEDMO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC(O)C1 ZINC000353497733 438506633 /nfs/dbraw/zinc/50/66/33/438506633.db2.gz SROLFAZCNYHSBM-YMAMQOFZSA-N 1 1 348.472 0.912 20 30 ECEDMO C=CCOCCCC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000369717448 438508686 /nfs/dbraw/zinc/50/86/86/438508686.db2.gz GPAMGBQHYSDWID-UHFFFAOYSA-N 1 1 337.464 0.982 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)nn1CCC#N ZINC000439344546 438509563 /nfs/dbraw/zinc/50/95/63/438509563.db2.gz FSXQLOJVUBJPSI-GFCCVEGCSA-N 1 1 332.408 0.596 20 30 ECEDMO C=CCN(Cc1nc(N)nc(N)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000369831081 438521387 /nfs/dbraw/zinc/52/13/87/438521387.db2.gz SXIZPIBQTSNVEG-HNNXBMFYSA-N 1 1 339.447 0.959 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)C1=O ZINC000370316769 438570522 /nfs/dbraw/zinc/57/05/22/438570522.db2.gz SZZZRHIDJXPVIW-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)C1=O ZINC000370316769 438570524 /nfs/dbraw/zinc/57/05/24/438570524.db2.gz SZZZRHIDJXPVIW-CVEARBPZSA-N 1 1 335.448 0.781 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000443512855 438652798 /nfs/dbraw/zinc/65/27/98/438652798.db2.gz VUPCNWNXFKTISE-INIZCTEOSA-N 1 1 327.344 1.493 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000447392613 438676687 /nfs/dbraw/zinc/67/66/87/438676687.db2.gz ILOZKJRAXYRFCF-RRFJBIMHSA-N 1 1 339.436 0.283 20 30 ECEDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000447392613 438676690 /nfs/dbraw/zinc/67/66/90/438676690.db2.gz ILOZKJRAXYRFCF-RRFJBIMHSA-N 1 1 339.436 0.283 20 30 ECEDMO Cc1ncc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1C#N ZINC000451666210 438706465 /nfs/dbraw/zinc/70/64/65/438706465.db2.gz GGZDTYWZNGUCLA-CQSZACIVSA-N 1 1 338.433 0.387 20 30 ECEDMO Cc1ncc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1C#N ZINC000451666210 438706467 /nfs/dbraw/zinc/70/64/67/438706467.db2.gz GGZDTYWZNGUCLA-CQSZACIVSA-N 1 1 338.433 0.387 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)[C@H]2C)CC1 ZINC000412080314 438684993 /nfs/dbraw/zinc/68/49/93/438684993.db2.gz LLYLNLYRHDJFPY-IKGGRYGDSA-N 1 1 336.480 0.772 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC12COC2 ZINC000451124769 438697093 /nfs/dbraw/zinc/69/70/93/438697093.db2.gz JJTDHDOQZLURQB-BBRMVZONSA-N 1 1 335.404 0.306 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC12COC2 ZINC000451124769 438697094 /nfs/dbraw/zinc/69/70/94/438697094.db2.gz JJTDHDOQZLURQB-BBRMVZONSA-N 1 1 335.404 0.306 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494710339 438704846 /nfs/dbraw/zinc/70/48/46/438704846.db2.gz PRAFXSZIJHGEKF-KBPBESRZSA-N 1 1 331.482 0.813 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494710339 438704848 /nfs/dbraw/zinc/70/48/48/438704848.db2.gz PRAFXSZIJHGEKF-KBPBESRZSA-N 1 1 331.482 0.813 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000548863505 438733893 /nfs/dbraw/zinc/73/38/93/438733893.db2.gz PTUBHYQSVOTDOZ-CVEARBPZSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548863505 438733897 /nfs/dbraw/zinc/73/38/97/438733897.db2.gz PTUBHYQSVOTDOZ-CVEARBPZSA-N 1 1 334.464 0.982 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000455412447 438744725 /nfs/dbraw/zinc/74/47/25/438744725.db2.gz PXWKUDYOMFGLPJ-MJBXVCDLSA-N 1 1 325.409 0.609 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000455412447 438744728 /nfs/dbraw/zinc/74/47/28/438744728.db2.gz PXWKUDYOMFGLPJ-MJBXVCDLSA-N 1 1 325.409 0.609 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(CC[N@H+]([C@H](CC)C(N)=O)C3)C2)nn1 ZINC001041729647 782069918 /nfs/dbraw/zinc/06/99/18/782069918.db2.gz VTBMEENRXIZBSO-PBHICJAKSA-N 1 1 346.435 0.266 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000554518455 438765917 /nfs/dbraw/zinc/76/59/17/438765917.db2.gz XGKVYMKMIOHNON-HUUCEWRRSA-N 1 1 344.481 0.413 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2CC(N)=O)cc1 ZINC000595523512 438814977 /nfs/dbraw/zinc/81/49/77/438814977.db2.gz RPZBSADZLDGFGR-GJZGRUSLSA-N 1 1 333.388 0.069 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2CC(N)=O)cc1 ZINC000595523512 438814982 /nfs/dbraw/zinc/81/49/82/438814982.db2.gz RPZBSADZLDGFGR-GJZGRUSLSA-N 1 1 333.388 0.069 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CCN(CC#N)CC2)C1 ZINC000588124820 438819176 /nfs/dbraw/zinc/81/91/76/438819176.db2.gz LMKFUQRVDFTUAP-GDBMZVCRSA-N 1 1 347.463 0.033 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595550334 438822617 /nfs/dbraw/zinc/82/26/17/438822617.db2.gz HAZDUOZQEWGRFF-NUJGCVRESA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@H](C)CN1CCO ZINC000595550334 438822619 /nfs/dbraw/zinc/82/26/19/438822619.db2.gz HAZDUOZQEWGRFF-NUJGCVRESA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@H](C)CN1CCO ZINC000595550334 438822621 /nfs/dbraw/zinc/82/26/21/438822621.db2.gz HAZDUOZQEWGRFF-NUJGCVRESA-N 1 1 347.459 0.879 20 30 ECEDMO N#CC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000595551234 438823512 /nfs/dbraw/zinc/82/35/12/438823512.db2.gz WWEKFPIIGPWUCY-IRXDYDNUSA-N 1 1 349.479 0.728 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H]4C[C@@H]4C3)CC2)o1 ZINC000595811614 438866012 /nfs/dbraw/zinc/86/60/12/438866012.db2.gz VXBCVDOGUYWJQA-ZIAGYGMSSA-N 1 1 329.404 0.845 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000577779005 438871916 /nfs/dbraw/zinc/87/19/16/438871916.db2.gz WCXZHGSMKJBJCY-HOTGVXAUSA-N 1 1 326.400 0.727 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595869747 438874519 /nfs/dbraw/zinc/87/45/19/438874519.db2.gz YCAHVEXZXSSCBG-HFTRVMKXSA-N 1 1 336.480 0.960 20 30 ECEDMO Cc1cc(NCC(=O)NC2CC2)c(C#N)c(NCC(=O)NC2CC2)[nH+]1 ZINC000596063700 438920843 /nfs/dbraw/zinc/92/08/43/438920843.db2.gz QLSWXEHACCTYMA-UHFFFAOYSA-N 1 1 342.403 0.643 20 30 ECEDMO CCCNC(=O)CNc1cc(C)[nH+]c(NCC(=O)NCCC)c1C#N ZINC000596058944 438921166 /nfs/dbraw/zinc/92/11/66/438921166.db2.gz QJQVQMUANJKKSI-UHFFFAOYSA-N 1 1 346.435 1.138 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000578501202 438928924 /nfs/dbraw/zinc/92/89/24/438928924.db2.gz AFMINUZHVDTCSU-UHFFFAOYSA-N 1 1 343.431 0.716 20 30 ECEDMO CCC(C#N)(CC)C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000601582039 438935750 /nfs/dbraw/zinc/93/57/50/438935750.db2.gz JPEBPSJJLGLOOO-AWEZNQCLSA-N 1 1 338.452 0.612 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000590759015 438956093 /nfs/dbraw/zinc/95/60/93/438956093.db2.gz SBHYYJDTUWWKJO-OAHLLOKOSA-N 1 1 337.445 0.878 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000590759015 438956098 /nfs/dbraw/zinc/95/60/98/438956098.db2.gz SBHYYJDTUWWKJO-OAHLLOKOSA-N 1 1 337.445 0.878 20 30 ECEDMO Cc1cc(NC[C@@H]2CCC(=O)N2)c(C#N)c(NC[C@@H]2CCC(=O)N2)[nH+]1 ZINC000596496300 438968894 /nfs/dbraw/zinc/96/88/94/438968894.db2.gz RAQNBNURLLLKRN-RYUDHWBXSA-N 1 1 342.403 0.643 20 30 ECEDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCC(=O)NCC#N)C2)cc1 ZINC000602315669 439063984 /nfs/dbraw/zinc/06/39/84/439063984.db2.gz NTMYDYSDWQRXMT-OAHLLOKOSA-N 1 1 329.404 0.508 20 30 ECEDMO N#CCc1ccc(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000580444004 439090703 /nfs/dbraw/zinc/09/07/03/439090703.db2.gz LBSVAIWIKRNCCI-UHFFFAOYSA-N 1 1 340.427 0.923 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(C#N)n2)C1 ZINC000566736711 439084993 /nfs/dbraw/zinc/08/49/93/439084993.db2.gz KZLIWNGQNVYLJG-CQSZACIVSA-N 1 1 345.403 0.365 20 30 ECEDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000597676585 439156304 /nfs/dbraw/zinc/15/63/04/439156304.db2.gz AKPMKJJJVSAHKG-AWEZNQCLSA-N 1 1 343.431 1.077 20 30 ECEDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CNc1ccc(C#N)cn1 ZINC000597696012 439162747 /nfs/dbraw/zinc/16/27/47/439162747.db2.gz UWEARXCWEXMPTQ-CABCVRRESA-N 1 1 329.404 0.687 20 30 ECEDMO N#CC[C@]1(O)CC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000592146331 439165155 /nfs/dbraw/zinc/16/51/55/439165155.db2.gz BQHOQAJYHLZMGT-AWEZNQCLSA-N 1 1 325.390 0.063 20 30 ECEDMO N#CCC1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000598031131 439219617 /nfs/dbraw/zinc/21/96/17/439219617.db2.gz KGAFSNUZXPJTIQ-OAHLLOKOSA-N 1 1 334.420 0.072 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000592187027 439174693 /nfs/dbraw/zinc/17/46/93/439174693.db2.gz YECVKMMQFQVNSZ-YGRLFVJLSA-N 1 1 346.353 0.938 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000592187027 439174699 /nfs/dbraw/zinc/17/46/99/439174699.db2.gz YECVKMMQFQVNSZ-YGRLFVJLSA-N 1 1 346.353 0.938 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000592200585 439180378 /nfs/dbraw/zinc/18/03/78/439180378.db2.gz UIDGNEKRKNJOAL-NEPJUHHUSA-N 1 1 337.401 0.804 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000592204278 439181351 /nfs/dbraw/zinc/18/13/51/439181351.db2.gz AQPPSXRVOQCXRJ-QLFBSQMISA-N 1 1 334.372 0.154 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000592209031 439183604 /nfs/dbraw/zinc/18/36/04/439183604.db2.gz QGMLHOXOCOIDPI-MJBXVCDLSA-N 1 1 337.420 0.573 20 30 ECEDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000592209031 439183607 /nfs/dbraw/zinc/18/36/07/439183607.db2.gz QGMLHOXOCOIDPI-MJBXVCDLSA-N 1 1 337.420 0.573 20 30 ECEDMO CCCN(C(=O)C(=O)Nc1cc(C)n(CCC#N)n1)[C@H]1CC[N@@H+](C)C1 ZINC000592299967 439195012 /nfs/dbraw/zinc/19/50/12/439195012.db2.gz DJCWXRZUCGPLBQ-AWEZNQCLSA-N 1 1 346.435 0.986 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000527329235 439266508 /nfs/dbraw/zinc/26/65/08/439266508.db2.gz VAYNYFOVZDXNOK-CYBMUJFWSA-N 1 1 330.388 0.963 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490916753 439312154 /nfs/dbraw/zinc/31/21/54/439312154.db2.gz VDKOXPNMGDSPHA-HIFRSBDPSA-N 1 1 339.461 0.303 20 30 ECEDMO C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000598913972 439326485 /nfs/dbraw/zinc/32/64/85/439326485.db2.gz SLAKKNAFIRGGIG-UHFFFAOYSA-N 1 1 336.417 0.001 20 30 ECEDMO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)c1C#N ZINC000598931006 439330982 /nfs/dbraw/zinc/33/09/82/439330982.db2.gz FUMPTCSWASVQRS-JQWIXIFHSA-N 1 1 341.419 1.461 20 30 ECEDMO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)c1C#N ZINC000598931007 439331287 /nfs/dbraw/zinc/33/12/87/439331287.db2.gz FUMPTCSWASVQRS-PWSUYJOCSA-N 1 1 341.419 1.461 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000491122828 439334837 /nfs/dbraw/zinc/33/48/37/439334837.db2.gz YKSUZCABVWDXRG-UHFFFAOYSA-N 1 1 342.392 0.846 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000598614258 439290150 /nfs/dbraw/zinc/29/01/50/439290150.db2.gz JXUPXGAMFGRSSB-ZDUSSCGKSA-N 1 1 329.466 0.787 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](Cc2ccccc2)C[C@@H](C)O)CC1 ZINC000490780729 439297636 /nfs/dbraw/zinc/29/76/36/439297636.db2.gz QIDWEIIZWZQYPQ-QGZVFWFLSA-N 1 1 329.444 0.647 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](Cc2ccccc2)C[C@@H](C)O)CC1 ZINC000490780729 439297640 /nfs/dbraw/zinc/29/76/40/439297640.db2.gz QIDWEIIZWZQYPQ-QGZVFWFLSA-N 1 1 329.444 0.647 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000490780800 439298309 /nfs/dbraw/zinc/29/83/09/439298309.db2.gz RISLOWNLBVOFSE-MSOLQXFVSA-N 1 1 332.492 0.711 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCCCC)C2)CC1 ZINC000490841204 439301875 /nfs/dbraw/zinc/30/18/75/439301875.db2.gz SJJZRGXKKOINLF-QGZVFWFLSA-N 1 1 348.491 0.392 20 30 ECEDMO COCC[N@H+]1CCN(CC(=O)N(CCC#N)CCC#N)C(C)(C)C1 ZINC000593099672 439341608 /nfs/dbraw/zinc/34/16/08/439341608.db2.gz AMCLTRPYMVIANU-UHFFFAOYSA-N 1 1 335.452 0.685 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528513734 439345208 /nfs/dbraw/zinc/34/52/08/439345208.db2.gz VNAZGMNWJCCNLC-HIFRSBDPSA-N 1 1 338.429 0.664 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528513734 439345213 /nfs/dbraw/zinc/34/52/13/439345213.db2.gz VNAZGMNWJCCNLC-HIFRSBDPSA-N 1 1 338.429 0.664 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 ZINC000491209485 439348132 /nfs/dbraw/zinc/34/81/32/439348132.db2.gz HWSXOHGYKMOYOS-UHFFFAOYSA-N 1 1 330.388 0.056 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528752655 439368032 /nfs/dbraw/zinc/36/80/32/439368032.db2.gz ZYNNHOHTGBPVEG-SIXLDLHFSA-N 1 1 325.453 0.742 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528752655 439368038 /nfs/dbraw/zinc/36/80/38/439368038.db2.gz ZYNNHOHTGBPVEG-SIXLDLHFSA-N 1 1 325.453 0.742 20 30 ECEDMO CCS(=O)(=O)C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000570081964 439391337 /nfs/dbraw/zinc/39/13/37/439391337.db2.gz ACQKLSCXPHTBRU-GFCCVEGCSA-N 1 1 344.458 0.745 20 30 ECEDMO C#CCn1ccc(CN(CCOC)Cc2c[nH+]c(N(C)C)n2C)n1 ZINC000491473300 439389044 /nfs/dbraw/zinc/38/90/44/439389044.db2.gz CEFCVMHZVHMOAZ-UHFFFAOYSA-N 1 1 330.436 0.964 20 30 ECEDMO N#CC1(C[C@@H](O)C[NH+]2CCN(c3cnccn3)CC2)CCOCC1 ZINC000599274061 439411680 /nfs/dbraw/zinc/41/16/80/439411680.db2.gz XLSXDHMRYHOYSJ-OAHLLOKOSA-N 1 1 331.420 0.670 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000583082984 439416908 /nfs/dbraw/zinc/41/69/08/439416908.db2.gz WKAGNKMNXBOVDO-SUMWQHHRSA-N 1 1 340.427 0.968 20 30 ECEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2CN2CCOCC2)CCOCC1 ZINC000599299382 439424012 /nfs/dbraw/zinc/42/40/12/439424012.db2.gz FHLAZDJSZXCTCS-IRXDYDNUSA-N 1 1 337.464 0.854 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC(=O)NCCc1ccccc1 ZINC000491670227 439424089 /nfs/dbraw/zinc/42/40/89/439424089.db2.gz DGZYYPOGMXRPAH-UHFFFAOYSA-N 1 1 330.432 0.600 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000491673428 439424470 /nfs/dbraw/zinc/42/44/70/439424470.db2.gz VPXAGGQEOHIYBL-UHFFFAOYSA-N 1 1 334.395 0.696 20 30 ECEDMO C#C[C@@H]1COCCN1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000491677979 439427007 /nfs/dbraw/zinc/42/70/07/439427007.db2.gz SBQSKXIXOKMEAT-QGZVFWFLSA-N 1 1 348.491 0.980 20 30 ECEDMO C#CCN1C(=O)C[C@H](N2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000491699717 439430982 /nfs/dbraw/zinc/43/09/82/439430982.db2.gz CPAATOFYIZRFAU-INIZCTEOSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000491711157 439432559 /nfs/dbraw/zinc/43/25/59/439432559.db2.gz ZRSKRXHEKOWGID-KBPBESRZSA-N 1 1 329.466 0.597 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000491716859 439434624 /nfs/dbraw/zinc/43/46/24/439434624.db2.gz OUMVMYHCIVSNDE-UHFFFAOYSA-N 1 1 338.452 0.220 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000491754903 439441190 /nfs/dbraw/zinc/44/11/90/439441190.db2.gz WKJPRKDENZLLRO-QJPTWQEYSA-N 1 1 331.338 0.467 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000491775017 439448681 /nfs/dbraw/zinc/44/86/81/439448681.db2.gz WNHDZUDSJMIFDR-OAHLLOKOSA-N 1 1 332.452 0.643 20 30 ECEDMO COC(=O)[C@H]1CN(C[C@H](O)COc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000599438112 439468520 /nfs/dbraw/zinc/46/85/20/439468520.db2.gz MCLUWEKLKFHVIX-CVEARBPZSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@@H]1CN(C)CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599438112 439468525 /nfs/dbraw/zinc/46/85/25/439468525.db2.gz MCLUWEKLKFHVIX-CVEARBPZSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599438112 439468528 /nfs/dbraw/zinc/46/85/28/439468528.db2.gz MCLUWEKLKFHVIX-CVEARBPZSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H](C)O1 ZINC000599450426 439473719 /nfs/dbraw/zinc/47/37/19/439473719.db2.gz GCZYADRSOJONKM-MJBXVCDLSA-N 1 1 326.393 0.320 20 30 ECEDMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H](C)O1 ZINC000599450426 439473722 /nfs/dbraw/zinc/47/37/22/439473722.db2.gz GCZYADRSOJONKM-MJBXVCDLSA-N 1 1 326.393 0.320 20 30 ECEDMO N#Cc1cccc(-n2ccc(C(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)n2)c1 ZINC000593856851 439479347 /nfs/dbraw/zinc/47/93/47/439479347.db2.gz QODYWJZORJTYKX-MRXNPFEDSA-N 1 1 337.383 0.635 20 30 ECEDMO N#Cc1cccc(-n2ccc(C(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)n2)c1 ZINC000593856851 439479353 /nfs/dbraw/zinc/47/93/53/439479353.db2.gz QODYWJZORJTYKX-MRXNPFEDSA-N 1 1 337.383 0.635 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000530340172 439499095 /nfs/dbraw/zinc/49/90/95/439499095.db2.gz MIBBNZOKBOREOZ-SWLSCSKDSA-N 1 1 348.447 0.289 20 30 ECEDMO C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[NH+]1CCSCC1 ZINC000538255073 439544059 /nfs/dbraw/zinc/54/40/59/439544059.db2.gz QAPFJZZODMOQDF-NSHDSACASA-N 1 1 336.465 0.692 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC2CCN(CC#N)CC2)C1 ZINC000609336016 439565318 /nfs/dbraw/zinc/56/53/18/439565318.db2.gz ODWWKHHRGGDAEE-MRXNPFEDSA-N 1 1 337.468 0.630 20 30 ECEDMO CN1CCN(c2ncccc2CNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594440032 439559003 /nfs/dbraw/zinc/55/90/03/439559003.db2.gz XYZPHOXFNIWIAW-MRXNPFEDSA-N 1 1 344.463 0.861 20 30 ECEDMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000532606220 439517294 /nfs/dbraw/zinc/51/72/94/439517294.db2.gz ASNOOFKBOIZXRB-UHFFFAOYSA-N 1 1 334.424 0.892 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000594477961 439567672 /nfs/dbraw/zinc/56/76/72/439567672.db2.gz LGFLDMBHLIVDHC-NWDGAFQWSA-N 1 1 325.365 0.137 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000594477961 439567678 /nfs/dbraw/zinc/56/76/78/439567678.db2.gz LGFLDMBHLIVDHC-NWDGAFQWSA-N 1 1 325.365 0.137 20 30 ECEDMO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)nc1 ZINC000584345816 439578935 /nfs/dbraw/zinc/57/89/35/439578935.db2.gz CTCNFIKIHDEZRM-QGZVFWFLSA-N 1 1 346.479 0.129 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000610916734 439657625 /nfs/dbraw/zinc/65/76/25/439657625.db2.gz AOAVNQPHBCGTQC-IINYFYTJSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000610916734 439657628 /nfs/dbraw/zinc/65/76/28/439657628.db2.gz AOAVNQPHBCGTQC-IINYFYTJSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC[N@@H+]1CC(C)(C)O ZINC000595173565 439668323 /nfs/dbraw/zinc/66/83/23/439668323.db2.gz ZRBUQYWYLRRBFT-CXAGYDPISA-N 1 1 336.436 0.052 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC[N@H+]1CC(C)(C)O ZINC000595173565 439668327 /nfs/dbraw/zinc/66/83/27/439668327.db2.gz ZRBUQYWYLRRBFT-CXAGYDPISA-N 1 1 336.436 0.052 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522475 439703597 /nfs/dbraw/zinc/70/35/97/439703597.db2.gz BLHCCANPTINFAX-CQSZACIVSA-N 1 1 343.431 0.591 20 30 ECEDMO N#Cc1ccc(N2CC[C@H](C(=O)NCC[N@@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000600534380 439675033 /nfs/dbraw/zinc/67/50/33/439675033.db2.gz PAUYWWKRNLLAFD-LSDHHAIUSA-N 1 1 346.406 0.706 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)C1 ZINC000613267308 439754310 /nfs/dbraw/zinc/75/43/10/439754310.db2.gz CCRRNFXLIJPFKR-AWEZNQCLSA-N 1 1 326.466 0.332 20 30 ECEDMO C=CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000612721116 439737863 /nfs/dbraw/zinc/73/78/63/439737863.db2.gz UHLAAKZIZJOMLQ-QGZVFWFLSA-N 1 1 344.459 0.563 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@](F)(C#N)C2)C1 ZINC000615643948 439804126 /nfs/dbraw/zinc/80/41/26/439804126.db2.gz GIUDVEDFDYDXOS-ZBFHGGJFSA-N 1 1 326.416 0.397 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641666116 439882419 /nfs/dbraw/zinc/88/24/19/439882419.db2.gz AOONEILOSGLDOG-SJORKVTESA-N 1 1 339.480 0.880 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641668526 439887759 /nfs/dbraw/zinc/88/77/59/439887759.db2.gz BHTLCKUKRNOICZ-NVXWUHKLSA-N 1 1 325.453 0.226 20 30 ECEDMO C=CCN(C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H](C)COC ZINC000663617923 440121287 /nfs/dbraw/zinc/12/12/87/440121287.db2.gz PDTNKVCCYRTPPU-AWEZNQCLSA-N 1 1 326.441 0.383 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000658812148 440130969 /nfs/dbraw/zinc/13/09/69/440130969.db2.gz XJKNZRCAKSMPSZ-XHSDSOJGSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000658812148 440130972 /nfs/dbraw/zinc/13/09/72/440130972.db2.gz XJKNZRCAKSMPSZ-XHSDSOJGSA-N 1 1 337.464 0.715 20 30 ECEDMO Cc1c(C(=O)NCC#CCO)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000665488855 440474901 /nfs/dbraw/zinc/47/49/01/440474901.db2.gz RYSWIRCQRXJHED-UHFFFAOYSA-N 1 1 339.399 0.289 20 30 ECEDMO C=CCCCS(=O)(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000644170823 440460128 /nfs/dbraw/zinc/46/01/28/440460128.db2.gz IIOWLWVWABGWBN-CQSZACIVSA-N 1 1 329.466 0.697 20 30 ECEDMO C=CCCCS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000644170823 440460134 /nfs/dbraw/zinc/46/01/34/440460134.db2.gz IIOWLWVWABGWBN-CQSZACIVSA-N 1 1 329.466 0.697 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000189575173 533700428 /nfs/dbraw/zinc/70/04/28/533700428.db2.gz YHQUSCGAIVSVJY-UXLLHSPISA-N 1 1 333.432 0.685 20 30 ECEDMO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656064529 440706675 /nfs/dbraw/zinc/70/66/75/440706675.db2.gz XMYMWAGNXZSCFF-DLBZAZTESA-N 1 1 343.427 0.479 20 30 ECEDMO C=CCOCCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660865860 440747789 /nfs/dbraw/zinc/74/77/89/440747789.db2.gz UZLVEYSFPOULLK-INIZCTEOSA-N 1 1 340.468 0.285 20 30 ECEDMO C=CCCn1cc(CN[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)nn1 ZINC000657362364 441002958 /nfs/dbraw/zinc/00/29/58/441002958.db2.gz AVAWPMDUCJXOJP-MRXNPFEDSA-N 1 1 334.468 0.350 20 30 ECEDMO C=CCCn1cc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)nn1 ZINC000657362364 441002967 /nfs/dbraw/zinc/00/29/67/441002967.db2.gz AVAWPMDUCJXOJP-MRXNPFEDSA-N 1 1 334.468 0.350 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000641341035 441099050 /nfs/dbraw/zinc/09/90/50/441099050.db2.gz JRVSKOSHGJOCKM-CQSZACIVSA-N 1 1 339.461 0.654 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000189365255 533703839 /nfs/dbraw/zinc/70/38/39/533703839.db2.gz MQUDPEZANQRURX-RHSMWYFYSA-N 1 1 328.416 0.662 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000187932243 320538134 /nfs/dbraw/zinc/53/81/34/320538134.db2.gz LVGCZLQVCJGCIA-UHFFFAOYSA-N 1 1 340.427 0.916 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC001041739158 782091524 /nfs/dbraw/zinc/09/15/24/782091524.db2.gz XZVVAUIAYCGETP-QGZVFWFLSA-N 1 1 325.372 0.606 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001041739777 782093893 /nfs/dbraw/zinc/09/38/93/782093893.db2.gz JEVLKJIJKDPWRC-INIZCTEOSA-N 1 1 339.823 0.716 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001041739777 782093904 /nfs/dbraw/zinc/09/39/04/782093904.db2.gz JEVLKJIJKDPWRC-INIZCTEOSA-N 1 1 339.823 0.716 20 30 ECEDMO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000546709636 322120515 /nfs/dbraw/zinc/12/05/15/322120515.db2.gz VCLKPLRTTWEVHH-LBPRGKRZSA-N 1 1 328.372 0.858 20 30 ECEDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)COc1ccc(C#N)cc1 ZINC000563628473 322335319 /nfs/dbraw/zinc/33/53/19/322335319.db2.gz PRKRYROZXWTGIK-HNNXBMFYSA-N 1 1 325.372 0.844 20 30 ECEDMO N#Cc1cc(F)c(N2CC[NH2+][C@H](C(N)=O)C2)cc1Br ZINC000563637350 322336000 /nfs/dbraw/zinc/33/60/00/322336000.db2.gz SREALKVTSHTGPT-JTQLQIEISA-N 1 1 327.157 0.723 20 30 ECEDMO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000566129398 322504356 /nfs/dbraw/zinc/50/43/56/322504356.db2.gz DBIPEAWZORNJIK-SMDDNHRTSA-N 1 1 342.442 0.355 20 30 ECEDMO N#Cc1ccc(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000572103539 322739311 /nfs/dbraw/zinc/73/93/11/322739311.db2.gz LTNZOYLXPJYBML-MRXNPFEDSA-N 1 1 341.415 0.664 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C2)C1 ZINC001041740999 782098581 /nfs/dbraw/zinc/09/85/81/782098581.db2.gz HTNAKTVLLMMOKY-KRWDZBQOSA-N 1 1 332.404 0.037 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC001041764928 782155641 /nfs/dbraw/zinc/15/56/41/782155641.db2.gz GMXBUMBOLHNMLZ-GOSISDBHSA-N 1 1 328.416 0.581 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001078022357 782155852 /nfs/dbraw/zinc/15/58/52/782155852.db2.gz GFGTZRIORLSFMT-HZPDHXFCSA-N 1 1 331.416 0.739 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001078022357 782155860 /nfs/dbraw/zinc/15/58/60/782155860.db2.gz GFGTZRIORLSFMT-HZPDHXFCSA-N 1 1 331.416 0.739 20 30 ECEDMO COc1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)n1 ZINC000329329016 546021496 /nfs/dbraw/zinc/02/14/96/546021496.db2.gz YARFQSMXJGTYOC-CYBMUJFWSA-N 1 1 346.435 0.758 20 30 ECEDMO O=C(NC[C@@H]1COCCO1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000329822940 546035082 /nfs/dbraw/zinc/03/50/82/546035082.db2.gz QDYVTOFQFKETLN-HUUCEWRRSA-N 1 1 327.425 0.503 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC(=O)NCC#N)cc2)C[C@H](C)O1 ZINC000343513715 546098315 /nfs/dbraw/zinc/09/83/15/546098315.db2.gz BNGPGZBFIQAUNN-OKILXGFUSA-N 1 1 344.415 0.665 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC(=O)NCC#N)cc2)C[C@H](C)O1 ZINC000343513715 546098320 /nfs/dbraw/zinc/09/83/20/546098320.db2.gz BNGPGZBFIQAUNN-OKILXGFUSA-N 1 1 344.415 0.665 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCC[N@@H+](CCOC)C1 ZINC000619709488 546360214 /nfs/dbraw/zinc/36/02/14/546360214.db2.gz WGPVVKQVQGQMGD-KGLIPLIRSA-N 1 1 332.470 0.413 20 30 ECEDMO C[C@@H](O)C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H](C)CO ZINC000625358306 547077320 /nfs/dbraw/zinc/07/73/20/547077320.db2.gz IFXRGTLNGMWSJA-ZIAGYGMSSA-N 1 1 330.384 0.350 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000668728338 547736488 /nfs/dbraw/zinc/73/64/88/547736488.db2.gz OWZYFGILSMIUDO-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC[N@H+](C)CCOC ZINC000668751168 547741256 /nfs/dbraw/zinc/74/12/56/547741256.db2.gz RJYRWPKRYZTMTJ-HUUCEWRRSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCOCCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000679516530 549100835 /nfs/dbraw/zinc/10/08/35/549100835.db2.gz GIXLJCLFODFARY-OAHLLOKOSA-N 1 1 339.436 0.019 20 30 ECEDMO COCC#CCN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000681004000 549213843 /nfs/dbraw/zinc/21/38/43/549213843.db2.gz DFPWDUCXQMAIMZ-GOSISDBHSA-N 1 1 327.384 0.833 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2OCCc3ccsc32)C1 ZINC001078033434 782182378 /nfs/dbraw/zinc/18/23/78/782182378.db2.gz KCXAFWCJKIVKKC-RBSFLKMASA-N 1 1 334.441 0.937 20 30 ECEDMO CCN1CC[NH+](CCC(=O)NCCNc2ncccc2C#N)CC1 ZINC000750668778 579356507 /nfs/dbraw/zinc/35/65/07/579356507.db2.gz YCFUXYHFEAJLQY-UHFFFAOYSA-N 1 1 330.436 0.509 20 30 ECEDMO Cc1ccn(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(=O)c1C#N ZINC000758225141 579469149 /nfs/dbraw/zinc/46/91/49/579469149.db2.gz UCKPGICGCSISBU-MRXNPFEDSA-N 1 1 329.448 0.698 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@@H](C)C(C)(C)C2)c1=O ZINC000759000247 579484871 /nfs/dbraw/zinc/48/48/71/579484871.db2.gz OZJLPNNDCQBGQG-CQSZACIVSA-N 1 1 348.447 0.869 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c1=O ZINC000759000247 579484873 /nfs/dbraw/zinc/48/48/73/579484873.db2.gz OZJLPNNDCQBGQG-CQSZACIVSA-N 1 1 348.447 0.869 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000759020052 579485199 /nfs/dbraw/zinc/48/51/99/579485199.db2.gz RUESILKKGWRKHC-ZIAGYGMSSA-N 1 1 327.450 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000730097550 578303293 /nfs/dbraw/zinc/30/32/93/578303293.db2.gz AEAGPOCUXRHLFR-HOCLYGCPSA-N 1 1 331.391 0.684 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000730097550 578303294 /nfs/dbraw/zinc/30/32/94/578303294.db2.gz AEAGPOCUXRHLFR-HOCLYGCPSA-N 1 1 331.391 0.684 20 30 ECEDMO N#C[C@@H]1CN(C(=S)NCCC[NH+]2CCOCC2)CCN1C1CC1 ZINC000732625013 578328246 /nfs/dbraw/zinc/32/82/46/578328246.db2.gz ALCQDPJEUHIQHY-OAHLLOKOSA-N 1 1 337.493 0.255 20 30 ECEDMO C[C@@H]1CC(=NNC(=S)NCC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000734299614 578356138 /nfs/dbraw/zinc/35/61/38/578356138.db2.gz RFVKXGLTCNFGAC-GFCCVEGCSA-N 1 1 333.461 0.976 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1C#N ZINC000793936572 578567125 /nfs/dbraw/zinc/56/71/25/578567125.db2.gz LHYUTBFRELSFMI-UHFFFAOYSA-N 1 1 330.388 0.393 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000799180485 578660639 /nfs/dbraw/zinc/66/06/39/578660639.db2.gz LOXBVMBOGCTMIH-VYDXJSESSA-N 1 1 345.399 0.923 20 30 ECEDMO CC(=NNCCC[NH+]1CCOCC1)c1ccc(-n2cnnn2)cc1 ZINC000799488008 578666111 /nfs/dbraw/zinc/66/61/11/578666111.db2.gz KLYXTXDURQLFNF-UHFFFAOYSA-N 1 1 329.408 0.698 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1(C)C ZINC000799742687 578669438 /nfs/dbraw/zinc/66/94/38/578669438.db2.gz FZHOIQSLJVJPQH-MRXNPFEDSA-N 1 1 330.432 0.734 20 30 ECEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000780057791 578685465 /nfs/dbraw/zinc/68/54/65/578685465.db2.gz YUTOPQZVSVGVFT-CHWSQXEVSA-N 1 1 330.388 0.984 20 30 ECEDMO N#Cc1ccc([C@@H](O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000780919153 578702702 /nfs/dbraw/zinc/70/27/02/578702702.db2.gz QUQYRYNKCKCIAB-HZPDHXFCSA-N 1 1 344.415 0.295 20 30 ECEDMO C[C@H](CNC(=O)[C@@H](O)c1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000780939639 578703209 /nfs/dbraw/zinc/70/32/09/578703209.db2.gz KIEGYFMCIOZLIH-PBHICJAKSA-N 1 1 330.432 0.591 20 30 ECEDMO C#CCNC(=O)CN[C@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1 ZINC000782494367 578726463 /nfs/dbraw/zinc/72/64/63/578726463.db2.gz SKXPSMJXSNITJK-LJQANCHMSA-N 1 1 343.427 0.533 20 30 ECEDMO C#CCNC(=O)CN[C@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000782494367 578726464 /nfs/dbraw/zinc/72/64/64/578726464.db2.gz SKXPSMJXSNITJK-LJQANCHMSA-N 1 1 343.427 0.533 20 30 ECEDMO C#CCN1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000793494008 578929533 /nfs/dbraw/zinc/92/95/33/578929533.db2.gz RFXRGDNNNAXNHI-UHFFFAOYSA-N 1 1 326.404 0.614 20 30 ECEDMO N#CCCNC(=O)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772330940 579203700 /nfs/dbraw/zinc/20/37/00/579203700.db2.gz GJKSTRUIKMTSTN-UHFFFAOYSA-N 1 1 331.376 0.054 20 30 ECEDMO C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)[C@H]1CCCO1 ZINC000772878841 579216131 /nfs/dbraw/zinc/21/61/31/579216131.db2.gz JSANCXAWHCQEEJ-WCXIOVBPSA-N 1 1 347.459 0.616 20 30 ECEDMO C#C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCCO1 ZINC000773276076 579223720 /nfs/dbraw/zinc/22/37/20/579223720.db2.gz ITKFAXJHNQYBGE-KKUMJFAQSA-N 1 1 336.436 0.054 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)NCC[N@@H+](CC)CCO ZINC000773505642 579228258 /nfs/dbraw/zinc/22/82/58/579228258.db2.gz HBEITTWIOXUXGT-UHFFFAOYSA-N 1 1 333.388 0.068 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1ccccc1SCC(N)=O)[C@H]1CCCO1 ZINC000775789827 579271225 /nfs/dbraw/zinc/27/12/25/579271225.db2.gz DHKNFZILUNOJDR-TZMCWYRMSA-N 1 1 347.440 0.973 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)N(CCC(N)=O)c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000775801827 579271721 /nfs/dbraw/zinc/27/17/21/579271721.db2.gz WQHITRGZZNNVOR-CVEARBPZSA-N 1 1 347.390 0.805 20 30 ECEDMO C[C@H]1C[NH+]=C(NN=C2c3ccc(N4CCOCC4)cc3NC2=O)N1 ZINC000779793043 579320850 /nfs/dbraw/zinc/32/08/50/579320850.db2.gz QWTDUFAAOFQYAU-JTQLQIEISA-N 1 1 328.376 0.117 20 30 ECEDMO C#CCNC(=O)CN1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000738878592 579653482 /nfs/dbraw/zinc/65/34/82/579653482.db2.gz VXSCJVKNGPMFKL-UHFFFAOYSA-N 1 1 336.480 0.296 20 30 ECEDMO COC(=O)CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CCOCC1 ZINC000743871602 579802929 /nfs/dbraw/zinc/80/29/29/579802929.db2.gz KTHXIJBDUWZUQP-QGZVFWFLSA-N 1 1 337.420 0.839 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000746192537 579832321 /nfs/dbraw/zinc/83/23/21/579832321.db2.gz YAYITWQXPOBXCP-WUKNDPDISA-N 1 1 330.388 0.070 20 30 ECEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746288249 579835416 /nfs/dbraw/zinc/83/54/16/579835416.db2.gz VIBVPPLIVAWRQO-WPCFGXOUSA-N 1 1 334.420 0.702 20 30 ECEDMO C#CC[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837943270 588966588 /nfs/dbraw/zinc/96/65/88/588966588.db2.gz ODLQJBLIRXUYGE-HOTGVXAUSA-N 1 1 330.384 0.569 20 30 ECEDMO C#CC[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)OC ZINC000837943270 588966589 /nfs/dbraw/zinc/96/65/89/588966589.db2.gz ODLQJBLIRXUYGE-HOTGVXAUSA-N 1 1 330.384 0.569 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000842166817 589016231 /nfs/dbraw/zinc/01/62/31/589016231.db2.gz SPBWIPQHERMLPZ-LSDHHAIUSA-N 1 1 331.372 0.345 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000842166817 589016232 /nfs/dbraw/zinc/01/62/32/589016232.db2.gz SPBWIPQHERMLPZ-LSDHHAIUSA-N 1 1 331.372 0.345 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000804777632 586064017 /nfs/dbraw/zinc/06/40/17/586064017.db2.gz IHGAUDCHRRRZPU-CMTMBAJVSA-N 1 1 334.420 0.894 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C1CCOCC1 ZINC000895855411 586209086 /nfs/dbraw/zinc/20/90/86/586209086.db2.gz LCJRVTUZNZQJFF-YESZJQIVSA-N 1 1 335.448 0.655 20 30 ECEDMO C#CCSCC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000896025322 586217474 /nfs/dbraw/zinc/21/74/74/586217474.db2.gz VDEANWGHZXEFAZ-UHFFFAOYSA-N 1 1 345.468 0.813 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)C1 ZINC000896489007 586243814 /nfs/dbraw/zinc/24/38/14/586243814.db2.gz LDLHVXFJSJAPLX-IKGGRYGDSA-N 1 1 335.448 0.921 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)C1 ZINC000896489007 586243815 /nfs/dbraw/zinc/24/38/15/586243815.db2.gz LDLHVXFJSJAPLX-IKGGRYGDSA-N 1 1 335.448 0.921 20 30 ECEDMO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896562176 586255478 /nfs/dbraw/zinc/25/54/78/586255478.db2.gz FQZTWLBHHHYAQF-CJNGLKHVSA-N 1 1 343.431 0.039 20 30 ECEDMO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896562176 586255482 /nfs/dbraw/zinc/25/54/82/586255482.db2.gz FQZTWLBHHHYAQF-CJNGLKHVSA-N 1 1 343.431 0.039 20 30 ECEDMO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896562176 586255484 /nfs/dbraw/zinc/25/54/84/586255484.db2.gz FQZTWLBHHHYAQF-CJNGLKHVSA-N 1 1 343.431 0.039 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896577334 586259800 /nfs/dbraw/zinc/25/98/00/586259800.db2.gz NMAJKIDJZADVQA-DZGCQCFKSA-N 1 1 346.431 0.696 20 30 ECEDMO C#C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000893054464 586308294 /nfs/dbraw/zinc/30/82/94/586308294.db2.gz XUHWWUYIUQZAES-IAGOWNOFSA-N 1 1 334.464 0.590 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000897490739 586333037 /nfs/dbraw/zinc/33/30/37/586333037.db2.gz MEVYIVIQNHHXHP-UONOGXRCSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000897490739 586333040 /nfs/dbraw/zinc/33/30/40/586333040.db2.gz MEVYIVIQNHHXHP-UONOGXRCSA-N 1 1 327.450 0.303 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000900029445 586519722 /nfs/dbraw/zinc/51/97/22/586519722.db2.gz YKRWXPSCBHKZNB-ZIFCJYIRSA-N 1 1 342.443 0.851 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000900282504 586535414 /nfs/dbraw/zinc/53/54/14/586535414.db2.gz ZAMQCVSARUYUPZ-GOSISDBHSA-N 1 1 329.400 0.569 20 30 ECEDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc(C#CCO)c2)C1 ZINC000900512081 586638393 /nfs/dbraw/zinc/63/83/93/586638393.db2.gz KDBPHZYQGHHNOC-QGZVFWFLSA-N 1 1 343.427 0.348 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(C#CCO)c3)C2)CC1 ZINC000900672263 586654530 /nfs/dbraw/zinc/65/45/30/586654530.db2.gz BBSQNWZJDJINBL-GOSISDBHSA-N 1 1 341.455 0.929 20 30 ECEDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cccc(C#CCO)c3)C2)CC1 ZINC000900672263 586654531 /nfs/dbraw/zinc/65/45/31/586654531.db2.gz BBSQNWZJDJINBL-GOSISDBHSA-N 1 1 341.455 0.929 20 30 ECEDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000900923435 586674419 /nfs/dbraw/zinc/67/44/19/586674419.db2.gz SQGNCADTEHSQEI-OAHLLOKOSA-N 1 1 344.411 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cccc(OCC(N)=O)c2)C1 ZINC000888412519 586779241 /nfs/dbraw/zinc/77/92/41/586779241.db2.gz MENKLSNMXAQWAA-OAHLLOKOSA-N 1 1 344.415 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(OCC(N)=O)c2)C1 ZINC000888412519 586779245 /nfs/dbraw/zinc/77/92/45/586779245.db2.gz MENKLSNMXAQWAA-OAHLLOKOSA-N 1 1 344.415 0.448 20 30 ECEDMO C#C[C@H]1COCCN1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000839195168 586841081 /nfs/dbraw/zinc/84/10/81/586841081.db2.gz ROFHGSHLPYGVPX-IBGZPJMESA-N 1 1 341.455 0.973 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)C1 ZINC000804899445 586862411 /nfs/dbraw/zinc/86/24/11/586862411.db2.gz DSKXGPOVRLVNLF-CQSZACIVSA-N 1 1 348.378 0.150 20 30 ECEDMO CN(CCC#N)C[C@H](O)C[NH2+]Cc1cn(C)nc1Br ZINC000905520524 586899580 /nfs/dbraw/zinc/89/95/80/586899580.db2.gz HYUYGJORVSEQDK-LLVKDONJSA-N 1 1 330.230 0.479 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccncc1 ZINC000805810572 586940350 /nfs/dbraw/zinc/94/03/50/586940350.db2.gz GKDIMSZBSKTWEK-CVEARBPZSA-N 1 1 345.447 0.177 20 30 ECEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccncc1 ZINC000805810576 586940363 /nfs/dbraw/zinc/94/03/63/586940363.db2.gz GKDIMSZBSKTWEK-JKSUJKDBSA-N 1 1 345.447 0.177 20 30 ECEDMO C#CC[NH2+]CC(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 ZINC000800457473 586966744 /nfs/dbraw/zinc/96/67/44/586966744.db2.gz LFHWHCZFIGTEIT-UHFFFAOYSA-N 1 1 339.417 0.497 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)cc1 ZINC000907247428 587029323 /nfs/dbraw/zinc/02/93/23/587029323.db2.gz OAIBPIYVGMIQTK-CQSZACIVSA-N 1 1 336.413 0.393 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)cc1 ZINC000907247428 587029325 /nfs/dbraw/zinc/02/93/25/587029325.db2.gz OAIBPIYVGMIQTK-CQSZACIVSA-N 1 1 336.413 0.393 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000804030227 587074440 /nfs/dbraw/zinc/07/44/40/587074440.db2.gz NMDOKNPPNBFVBB-UHFFFAOYSA-N 1 1 329.335 0.635 20 30 ECEDMO N#Cc1ccc(NCCN2C(=O)N[C@@H](Cc3cnc[nH]3)C2=O)nc1 ZINC000804183994 587080874 /nfs/dbraw/zinc/08/08/74/587080874.db2.gz ITGKZPHYHADYKL-LBPRGKRZSA-N 1 1 325.332 0.251 20 30 ECEDMO C#CCCCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000806914797 587111626 /nfs/dbraw/zinc/11/16/26/587111626.db2.gz ZTFQIWRXHAYDIE-QGZVFWFLSA-N 1 1 343.427 0.399 20 30 ECEDMO C#CCCS(=O)(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000808287685 587152045 /nfs/dbraw/zinc/15/20/45/587152045.db2.gz LLRQNJZBTFPVEV-IYBDPMFKSA-N 1 1 327.494 0.830 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@H]1CCCO1 ZINC000809305096 587173447 /nfs/dbraw/zinc/17/34/47/587173447.db2.gz XHQJMOWPBWZWFO-YESZJQIVSA-N 1 1 347.459 0.474 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H]1CCCO1 ZINC000809311583 587174885 /nfs/dbraw/zinc/17/48/85/587174885.db2.gz XZYZPPZKAFBIFM-DLBZAZTESA-N 1 1 347.459 0.760 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC000809501998 587178738 /nfs/dbraw/zinc/17/87/38/587178738.db2.gz ZFRTYLQDMMDPOP-UHFFFAOYSA-N 1 1 344.415 0.737 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000819223205 587472781 /nfs/dbraw/zinc/47/27/81/587472781.db2.gz XYKAURHJRLUIMM-UHFFFAOYSA-N 1 1 335.422 0.790 20 30 ECEDMO C[N@@H+](C[C@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1CC1 ZINC000819230598 587473150 /nfs/dbraw/zinc/47/31/50/587473150.db2.gz XBUSHQVLZYXTJI-BPLDGKMQSA-N 1 1 338.452 0.790 20 30 ECEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=NOC)c2csc(N)n2)C1 ZINC000820402199 587532585 /nfs/dbraw/zinc/53/25/85/587532585.db2.gz JAJWUQZISVGFHB-SNVBAGLBSA-N 1 1 325.438 0.876 20 30 ECEDMO C#C[C@H]1COCCN1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000823083287 587701392 /nfs/dbraw/zinc/70/13/92/587701392.db2.gz IEGUQBKDKNKVRT-ARFHVFGLSA-N 1 1 333.432 0.673 20 30 ECEDMO C#CCN(CC(=O)N[C@@H]1CC[N@H+](CCOC)C1)C(=O)OC(C)(C)C ZINC000826796851 588084019 /nfs/dbraw/zinc/08/40/19/588084019.db2.gz NLRVYTJYIRLWSX-CQSZACIVSA-N 1 1 339.436 0.694 20 30 ECEDMO C#CCN(CC(=O)NC[C@H]1C[N@H+](C)CCN1C)C(=O)OC(C)(C)C ZINC000827237957 588107126 /nfs/dbraw/zinc/10/71/26/588107126.db2.gz ZHVLHEANOPYKKB-AWEZNQCLSA-N 1 1 338.452 0.219 20 30 ECEDMO C=C[C@H](O)C(=O)N[C@@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000829953782 588350012 /nfs/dbraw/zinc/35/00/12/588350012.db2.gz HBAWBHOEHOUZKJ-YJBOKZPZSA-N 1 1 332.400 0.857 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@H](CCO)c2ccccc2F)CC1 ZINC000830351366 588369427 /nfs/dbraw/zinc/36/94/27/588369427.db2.gz QKUAXOFSSSMWDR-QGZVFWFLSA-N 1 1 333.407 0.616 20 30 ECEDMO C#CCN(CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C(=O)OC(C)(C)C ZINC000830627407 588379522 /nfs/dbraw/zinc/37/95/22/588379522.db2.gz HHHIJKKPBPIASY-KGLIPLIRSA-N 1 1 339.436 0.692 20 30 ECEDMO C#CCN(CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C(=O)OC(C)(C)C ZINC000830627407 588379524 /nfs/dbraw/zinc/37/95/24/588379524.db2.gz HHHIJKKPBPIASY-KGLIPLIRSA-N 1 1 339.436 0.692 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)CC1 ZINC000833376746 588537070 /nfs/dbraw/zinc/53/70/70/588537070.db2.gz AHXZQMRGQWKRJQ-AWEZNQCLSA-N 1 1 338.452 0.827 20 30 ECEDMO CN(C[C@](C)(O)C[N@H+]1CC[C@](O)(CC#N)C1)C(=O)OC(C)(C)C ZINC000844345352 589109052 /nfs/dbraw/zinc/10/90/52/589109052.db2.gz ANOGRKKCCYLNAX-JKSUJKDBSA-N 1 1 327.425 0.955 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365050 589109249 /nfs/dbraw/zinc/10/92/49/589109249.db2.gz JCNSIFZPAYDBCG-WFASDCNBSA-N 1 1 348.403 0.384 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365050 589109251 /nfs/dbraw/zinc/10/92/51/589109251.db2.gz JCNSIFZPAYDBCG-WFASDCNBSA-N 1 1 348.403 0.384 20 30 ECEDMO N#CCCNC(=O)CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000844399807 589110340 /nfs/dbraw/zinc/11/03/40/589110340.db2.gz GYIJMEXJELBHNI-MSOLQXFVSA-N 1 1 342.443 0.992 20 30 ECEDMO N#CCn1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000847608998 589258742 /nfs/dbraw/zinc/25/87/42/589258742.db2.gz ZMNQXBFTUPHBBY-KBPBESRZSA-N 1 1 330.392 0.478 20 30 ECEDMO COC(=O)C1(C#N)CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000852137475 589445823 /nfs/dbraw/zinc/44/58/23/589445823.db2.gz ZFDMESUPEFILAR-QGZVFWFLSA-N 1 1 331.372 0.138 20 30 ECEDMO C#C[C@H](NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)C1CCOCC1 ZINC000852258674 589453086 /nfs/dbraw/zinc/45/30/86/589453086.db2.gz YWHPAPPDQULXJQ-RDJZCZTQSA-N 1 1 336.480 0.740 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)CC1 ZINC000852654650 589504747 /nfs/dbraw/zinc/50/47/47/589504747.db2.gz MCAYFEKGEMZGKQ-IBGZPJMESA-N 1 1 340.471 0.975 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000852751939 589510157 /nfs/dbraw/zinc/51/01/57/589510157.db2.gz JZOGQAJPLXORDK-UHFFFAOYSA-N 1 1 339.417 0.244 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000852751939 589510160 /nfs/dbraw/zinc/51/01/60/589510160.db2.gz JZOGQAJPLXORDK-UHFFFAOYSA-N 1 1 339.417 0.244 20 30 ECEDMO COC(=O)NC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000852769621 589511565 /nfs/dbraw/zinc/51/15/65/589511565.db2.gz YLUFCDTUAUALBS-UHFFFAOYSA-N 1 1 330.388 0.995 20 30 ECEDMO CCCn1nccc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000853267507 589539344 /nfs/dbraw/zinc/53/93/44/589539344.db2.gz RWRRQDLMGXSZOW-UHFFFAOYSA-N 1 1 338.481 0.813 20 30 ECEDMO Cc1cc(NCC[S@](C)=O)c(C#N)c(NCC[S@@](C)=O)[nH+]1 ZINC000853345251 589541304 /nfs/dbraw/zinc/54/13/04/589541304.db2.gz PEGOLXWKAUUTPL-LEWJYISDSA-N 1 1 328.463 0.843 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)[C@]1(O)CCCOC1 ZINC000854094487 589571206 /nfs/dbraw/zinc/57/12/06/589571206.db2.gz SIFKYZNGMUDWDG-KRWDZBQOSA-N 1 1 325.453 0.808 20 30 ECEDMO C=C(C[NH+](C)C)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000855332760 589626773 /nfs/dbraw/zinc/62/67/73/589626773.db2.gz OJNOGMOEWXAIHV-UWVGGRQHSA-N 1 1 328.356 0.538 20 30 ECEDMO N#Cc1ccc([C@@H](O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000856254765 589658136 /nfs/dbraw/zinc/65/81/36/589658136.db2.gz ZEMFLGZZIPCJBF-DLBZAZTESA-N 1 1 329.400 0.649 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000856805570 589676664 /nfs/dbraw/zinc/67/66/64/589676664.db2.gz ZDHYAYFUNKJGQO-OAHLLOKOSA-N 1 1 335.408 0.177 20 30 ECEDMO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC000859781742 589715875 /nfs/dbraw/zinc/71/58/75/589715875.db2.gz SRTHYROUEAOHHU-UHFFFAOYSA-N 1 1 344.415 0.759 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000858278337 589736630 /nfs/dbraw/zinc/73/66/30/589736630.db2.gz VTUBCOLXCXHHBA-DLBZAZTESA-N 1 1 338.496 0.988 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000858283958 589737733 /nfs/dbraw/zinc/73/77/33/589737733.db2.gz VKJLBLRRTAHWBQ-GJZGRUSLSA-N 1 1 338.452 0.267 20 30 ECEDMO C#CC[C@H](COC)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000859031603 589793958 /nfs/dbraw/zinc/79/39/58/589793958.db2.gz JNONJHHYQGICAK-HRBLRVMOSA-N 1 1 348.491 0.977 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000859348407 589824913 /nfs/dbraw/zinc/82/49/13/589824913.db2.gz ABRCBBVXJDOHEL-HUUCEWRRSA-N 1 1 331.372 0.824 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867798734 589844789 /nfs/dbraw/zinc/84/47/89/589844789.db2.gz GLUVDJPVFIFALE-UONOGXRCSA-N 1 1 325.478 0.965 20 30 ECEDMO CCN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000867946525 589864474 /nfs/dbraw/zinc/86/44/74/589864474.db2.gz HPSQLVWIJWZMMH-GDBMZVCRSA-N 1 1 347.440 0.781 20 30 ECEDMO CC(C)(CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)S(C)(=O)=O ZINC000867951795 589864991 /nfs/dbraw/zinc/86/49/91/589864991.db2.gz QPGJWMXMVKACTH-CQSZACIVSA-N 1 1 335.429 0.684 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000863786962 590037916 /nfs/dbraw/zinc/03/79/16/590037916.db2.gz LDSDHDQZLMHORZ-BBWFWOEESA-N 1 1 349.475 0.864 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)c(F)cc1C ZINC000873718765 590198204 /nfs/dbraw/zinc/19/82/04/590198204.db2.gz SSDHBDQMSJEFFN-UHFFFAOYSA-N 1 1 336.367 0.639 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ncc1C#N ZINC000874173305 590224219 /nfs/dbraw/zinc/22/42/19/590224219.db2.gz FNIWQNJDYZMXFH-GXTWGEPZSA-N 1 1 327.388 0.753 20 30 ECEDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000874365758 590234811 /nfs/dbraw/zinc/23/48/11/590234811.db2.gz DFSKVIHPOPWTAE-OLZOCXBDSA-N 1 1 330.392 0.430 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)nn1CCC#N ZINC000874369781 590236225 /nfs/dbraw/zinc/23/62/25/590236225.db2.gz UXONIAQUEMEWMF-UONOGXRCSA-N 1 1 344.419 0.739 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000875302544 590291339 /nfs/dbraw/zinc/29/13/39/590291339.db2.gz CCZZZTSFDSSITC-INIZCTEOSA-N 1 1 349.406 0.528 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000875307012 590291543 /nfs/dbraw/zinc/29/15/43/590291543.db2.gz HONYMDOVIRGPPC-ARFHVFGLSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000127891732 590330543 /nfs/dbraw/zinc/33/05/43/590330543.db2.gz WUJBZKYPTODCAL-UHFFFAOYSA-N 1 1 325.368 0.450 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3OCCNC(=O)[C@H]32)cc1 ZINC000879718805 590337879 /nfs/dbraw/zinc/33/78/79/590337879.db2.gz ILEBLESRQRRQSS-RDJZCZTQSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3OCCNC(=O)[C@H]32)cc1 ZINC000879718805 590337880 /nfs/dbraw/zinc/33/78/80/590337880.db2.gz ILEBLESRQRRQSS-RDJZCZTQSA-N 1 1 342.399 0.866 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880016457 590361537 /nfs/dbraw/zinc/36/15/37/590361537.db2.gz VCLPNUYTWQDCJW-GASCZTMLSA-N 1 1 327.450 0.505 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000880068815 590365299 /nfs/dbraw/zinc/36/52/99/590365299.db2.gz KGNMYXQHSYHRHQ-KSZLIROESA-N 1 1 345.443 0.633 20 30 ECEDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143018 590372042 /nfs/dbraw/zinc/37/20/42/590372042.db2.gz XJXSKXHIXFAJDL-HUUCEWRRSA-N 1 1 334.445 0.895 20 30 ECEDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143018 590372045 /nfs/dbraw/zinc/37/20/45/590372045.db2.gz XJXSKXHIXFAJDL-HUUCEWRRSA-N 1 1 334.445 0.895 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)CC1(O)CCCC1 ZINC000878187106 590504184 /nfs/dbraw/zinc/50/41/84/590504184.db2.gz ZEAUNYUQUIYNKJ-CABCVRRESA-N 1 1 345.447 0.915 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)CC1(O)CCCC1 ZINC000878187106 590504187 /nfs/dbraw/zinc/50/41/87/590504187.db2.gz ZEAUNYUQUIYNKJ-CABCVRRESA-N 1 1 345.447 0.915 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)c1 ZINC000882481467 590554078 /nfs/dbraw/zinc/55/40/78/590554078.db2.gz RUOWMYQCUNQYJU-AWEZNQCLSA-N 1 1 337.445 0.975 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879050614 590560261 /nfs/dbraw/zinc/56/02/61/590560261.db2.gz PKVBYJBHGSKYJY-KFNAQCHYSA-N 1 1 326.416 0.965 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc1 ZINC000882631177 590565192 /nfs/dbraw/zinc/56/51/92/590565192.db2.gz CDAVCKGATLSQLJ-KRWDZBQOSA-N 1 1 342.443 0.589 20 30 ECEDMO Cc1nnc(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)n1C ZINC000879191177 590569456 /nfs/dbraw/zinc/56/94/56/590569456.db2.gz KONBBYLHMGYDKD-INIZCTEOSA-N 1 1 326.404 0.851 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879243843 590573221 /nfs/dbraw/zinc/57/32/21/590573221.db2.gz MHZQAMIPFCLRAK-QUCCMNQESA-N 1 1 341.455 0.962 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1 ZINC000879268604 590575042 /nfs/dbraw/zinc/57/50/42/590575042.db2.gz FNVFEMMXLNKKRU-BPUTZDHNSA-N 1 1 328.416 0.629 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1 ZINC000879268604 590575045 /nfs/dbraw/zinc/57/50/45/590575045.db2.gz FNVFEMMXLNKKRU-BPUTZDHNSA-N 1 1 328.416 0.629 20 30 ECEDMO N#Cc1cnc(NC[C@@]2(CO)COCC[NH2+]2)c(Br)c1 ZINC000882733029 590578273 /nfs/dbraw/zinc/57/82/73/590578273.db2.gz YBYQOFAXHHGFFD-GFCCVEGCSA-N 1 1 327.182 0.479 20 30 ECEDMO COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N(C)C[C@@H](C)C#N)c1 ZINC000883655655 590645195 /nfs/dbraw/zinc/64/51/95/590645195.db2.gz JAEUKSLOTKZJKF-XJKSGUPXSA-N 1 1 344.415 0.786 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000884181704 590765305 /nfs/dbraw/zinc/76/53/05/590765305.db2.gz MPIVPKSPTYYZQS-KRWDZBQOSA-N 1 1 345.443 0.820 20 30 ECEDMO C=CCC1(O)CCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000884199023 590771034 /nfs/dbraw/zinc/77/10/34/590771034.db2.gz NBEQFJRYUKBJKY-MRXNPFEDSA-N 1 1 338.496 0.983 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](CC)C(=O)N2CCOCC2)C1 ZINC000884208875 590775806 /nfs/dbraw/zinc/77/58/06/590775806.db2.gz MGLOZDKRKWULHD-LSDHHAIUSA-N 1 1 336.436 0.021 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](CC)C(=O)N2CCOCC2)C1 ZINC000884208875 590775808 /nfs/dbraw/zinc/77/58/08/590775808.db2.gz MGLOZDKRKWULHD-LSDHHAIUSA-N 1 1 336.436 0.021 20 30 ECEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CCC1 ZINC000886179101 590802576 /nfs/dbraw/zinc/80/25/76/590802576.db2.gz MWRQLTIGEZEYPJ-LSDHHAIUSA-N 1 1 341.477 0.931 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000884387641 590818391 /nfs/dbraw/zinc/81/83/91/590818391.db2.gz ZOBSIADLDCHPHZ-IRXDYDNUSA-N 1 1 345.443 0.818 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000884387641 590818395 /nfs/dbraw/zinc/81/83/95/590818395.db2.gz ZOBSIADLDCHPHZ-IRXDYDNUSA-N 1 1 345.443 0.818 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000886361630 590835599 /nfs/dbraw/zinc/83/55/99/590835599.db2.gz PIGAVCWYXIXEBC-CYBMUJFWSA-N 1 1 329.404 0.169 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](Nc2cc(N3CCN(C)C(=O)C3)ncn2)C1 ZINC000884611913 590870926 /nfs/dbraw/zinc/87/09/26/590870926.db2.gz YEIMYYPFPUWTLF-CQSZACIVSA-N 1 1 328.420 0.265 20 30 ECEDMO COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NCCCCC#N)c1 ZINC000884630832 590878547 /nfs/dbraw/zinc/87/85/47/590878547.db2.gz LAPSHHDIEPXWNE-MRXNPFEDSA-N 1 1 344.415 0.978 20 30 ECEDMO C=CCC1(O)CC[NH+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000886762336 590882081 /nfs/dbraw/zinc/88/20/81/590882081.db2.gz XJLLZMGVBFCJTJ-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCC1(O)CC[NH+](CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000886766825 590882395 /nfs/dbraw/zinc/88/23/95/590882395.db2.gz SHJOSMDLVYKSJJ-UHFFFAOYSA-N 1 1 328.438 0.101 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC2N=NC(=S)N2C2CC2)C1 ZINC000889336152 591050447 /nfs/dbraw/zinc/05/04/47/591050447.db2.gz ZNRJXOQVJOZVJT-GFCCVEGCSA-N 1 1 348.476 0.841 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC2N=NC(=S)N2C2CC2)C1 ZINC000889336152 591050458 /nfs/dbraw/zinc/05/04/58/591050458.db2.gz ZNRJXOQVJOZVJT-GFCCVEGCSA-N 1 1 348.476 0.841 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889765374 591088142 /nfs/dbraw/zinc/08/81/42/591088142.db2.gz XYYCXMXTZRRDAP-HZPDHXFCSA-N 1 1 342.395 0.824 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000890011632 591118902 /nfs/dbraw/zinc/11/89/02/591118902.db2.gz ZJACERSRWDEQGK-SMDDNHRTSA-N 1 1 327.388 0.685 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000890361547 591150386 /nfs/dbraw/zinc/15/03/86/591150386.db2.gz UIMSUZGLYIKSMS-NVXWUHKLSA-N 1 1 334.464 0.325 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCOC[C@@H]2c2ccnn2C)C1 ZINC000890362270 591150609 /nfs/dbraw/zinc/15/06/09/591150609.db2.gz BEZIOXDQHYFIQW-GDBMZVCRSA-N 1 1 331.420 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCOC[C@@H]2c2ccnn2C)C1 ZINC000890362270 591150612 /nfs/dbraw/zinc/15/06/12/591150612.db2.gz BEZIOXDQHYFIQW-GDBMZVCRSA-N 1 1 331.420 0.601 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000890361549 591150977 /nfs/dbraw/zinc/15/09/77/591150977.db2.gz UIMSUZGLYIKSMS-WBVHZDCISA-N 1 1 334.464 0.325 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC1CCC(S(C)(=O)=O)CC1 ZINC000922627845 611356645 /nfs/dbraw/zinc/35/66/45/611356645.db2.gz OALWSDXQGWYISJ-UHFFFAOYSA-N 1 1 343.493 0.844 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1cn(C(C)(C)C)c(=O)[nH]c1=O ZINC000922629466 611356650 /nfs/dbraw/zinc/35/66/50/611356650.db2.gz KXWCKMJEGXGJHD-UHFFFAOYSA-N 1 1 349.435 0.458 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)CC[C@@H]2C1 ZINC000946610536 611363499 /nfs/dbraw/zinc/36/34/99/611363499.db2.gz YSYMFAIXALXPCW-BBWFWOEESA-N 1 1 349.475 0.838 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2CC1 ZINC000946628587 611373823 /nfs/dbraw/zinc/37/38/23/611373823.db2.gz ZICFYMBMSFZOAH-NCOADZHNSA-N 1 1 346.475 0.128 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000930297216 611374243 /nfs/dbraw/zinc/37/42/43/611374243.db2.gz XBUUJPKBNYLTPI-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000930297216 611374246 /nfs/dbraw/zinc/37/42/46/611374246.db2.gz XBUUJPKBNYLTPI-OAHLLOKOSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](O)C(C)C)CC1 ZINC000946634782 611378171 /nfs/dbraw/zinc/37/81/71/611378171.db2.gz MQJRGRKJZPOMFX-JKSUJKDBSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](O)C(C)C)CC1 ZINC000946634782 611378175 /nfs/dbraw/zinc/37/81/75/611378175.db2.gz MQJRGRKJZPOMFX-JKSUJKDBSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)CC[C@@H]2C1 ZINC000946689735 611415259 /nfs/dbraw/zinc/41/52/59/611415259.db2.gz HZERURROYJIPKQ-IYBDPMFKSA-N 1 1 345.447 0.166 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000946699392 611422641 /nfs/dbraw/zinc/42/26/41/611422641.db2.gz OEROGLTZOWUWFU-IRXDYDNUSA-N 1 1 345.443 0.370 20 30 ECEDMO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C[C@H](O)CC#N)CC2)C1 ZINC000930497505 611436425 /nfs/dbraw/zinc/43/64/25/611436425.db2.gz YZXSKAOBXAXZAM-LSDHHAIUSA-N 1 1 338.452 0.888 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC000930796162 611464415 /nfs/dbraw/zinc/46/44/15/611464415.db2.gz BRWVYPMIOLTOPP-APWZRJJASA-N 1 1 325.412 0.694 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC[C@@H]2C1 ZINC000946776235 611469817 /nfs/dbraw/zinc/46/98/17/611469817.db2.gz IIZXAVBTLBCFAG-VVLHAWIVSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCn1cc(C(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000946793991 611482615 /nfs/dbraw/zinc/48/26/15/611482615.db2.gz VRKHVUQODHQHSS-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO C[C@H](O)[C@@H](O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000930993086 611493907 /nfs/dbraw/zinc/49/39/07/611493907.db2.gz GUAKSQSBFAQNJB-GUYCJALGSA-N 1 1 341.415 0.812 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947368960 611501692 /nfs/dbraw/zinc/50/16/92/611501692.db2.gz DOGCGRZBEJEONV-OLZOCXBDSA-N 1 1 349.884 0.744 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947368960 611501693 /nfs/dbraw/zinc/50/16/93/611501693.db2.gz DOGCGRZBEJEONV-OLZOCXBDSA-N 1 1 349.884 0.744 20 30 ECEDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@]1(C#N)CCCOC1)C2 ZINC000926194983 611524733 /nfs/dbraw/zinc/52/47/33/611524733.db2.gz WOPZFJYGSWHBLX-DMHIMHRUSA-N 1 1 335.448 0.903 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000947458723 611546118 /nfs/dbraw/zinc/54/61/18/611546118.db2.gz IDAYGJTVBHMUEY-AAEUAGOBSA-N 1 1 339.417 0.533 20 30 ECEDMO CS(=O)(=O)N1CC(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000931546919 611548539 /nfs/dbraw/zinc/54/85/39/611548539.db2.gz NWGPZYZBXXUZKK-UHFFFAOYSA-N 1 1 334.445 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1C ZINC000948371910 611551599 /nfs/dbraw/zinc/55/15/99/611551599.db2.gz IEPJSYAPXFSXKK-OIISXLGYSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1C ZINC000948371910 611551601 /nfs/dbraw/zinc/55/16/01/611551601.db2.gz IEPJSYAPXFSXKK-OIISXLGYSA-N 1 1 342.443 0.699 20 30 ECEDMO COC1(OC)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000931642384 611560660 /nfs/dbraw/zinc/56/06/60/611560660.db2.gz RMIVNYOFINJAAF-ZIAGYGMSSA-N 1 1 339.436 0.773 20 30 ECEDMO COC1(OC)CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000931642384 611560662 /nfs/dbraw/zinc/56/06/62/611560662.db2.gz RMIVNYOFINJAAF-ZIAGYGMSSA-N 1 1 339.436 0.773 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C ZINC000947524292 611579701 /nfs/dbraw/zinc/57/97/01/611579701.db2.gz RMSMSJJCERPZSY-CABCVRRESA-N 1 1 346.431 0.496 20 30 ECEDMO C[N@@H+](CC(=O)NCCC#N)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000075131052 611596727 /nfs/dbraw/zinc/59/67/27/611596727.db2.gz ASGAKDUWPAQZBC-CQSZACIVSA-N 1 1 346.435 0.873 20 30 ECEDMO C#CC[N@H+](CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)C(C)C ZINC000932397004 611622186 /nfs/dbraw/zinc/62/21/86/611622186.db2.gz XYGNABVGTSXGDH-ZDUSSCGKSA-N 1 1 349.456 0.955 20 30 ECEDMO C#CC[N@@H+](CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)C(C)C ZINC000932397004 611622188 /nfs/dbraw/zinc/62/21/88/611622188.db2.gz XYGNABVGTSXGDH-ZDUSSCGKSA-N 1 1 349.456 0.955 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000948521366 611637385 /nfs/dbraw/zinc/63/73/85/611637385.db2.gz UUMLWANVFFYFQH-HYVNUMGLSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000948521366 611637387 /nfs/dbraw/zinc/63/73/87/611637387.db2.gz UUMLWANVFFYFQH-HYVNUMGLSA-N 1 1 347.459 0.759 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000949238555 608593903 /nfs/dbraw/zinc/59/39/03/608593903.db2.gz JHCDHBGGROIHMV-QWHCGFSZSA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000949238555 608593907 /nfs/dbraw/zinc/59/39/07/608593907.db2.gz JHCDHBGGROIHMV-QWHCGFSZSA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(C)Cn1c(-c2ncon2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000909330112 608611268 /nfs/dbraw/zinc/61/12/68/608611268.db2.gz ARFRKAFNVZCEPK-LBPRGKRZSA-N 1 1 331.380 0.425 20 30 ECEDMO C=C(C)Cn1c(-c2ncon2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000909330112 608611271 /nfs/dbraw/zinc/61/12/71/608611271.db2.gz ARFRKAFNVZCEPK-LBPRGKRZSA-N 1 1 331.380 0.425 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nc1 ZINC000936909359 608653075 /nfs/dbraw/zinc/65/30/75/608653075.db2.gz FKMARSIHDKKAIR-DOTOQJQBSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000936909840 608663398 /nfs/dbraw/zinc/66/33/98/608663398.db2.gz HFPQVRFFXBGNET-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000932639513 611647149 /nfs/dbraw/zinc/64/71/49/611647149.db2.gz QAYDMJOWSPWUEP-CYBMUJFWSA-N 1 1 330.388 0.985 20 30 ECEDMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000932639513 611647151 /nfs/dbraw/zinc/64/71/51/611647151.db2.gz QAYDMJOWSPWUEP-CYBMUJFWSA-N 1 1 330.388 0.985 20 30 ECEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000933099183 608712347 /nfs/dbraw/zinc/71/23/47/608712347.db2.gz SWFAGOMEFVBRIA-HNNXBMFYSA-N 1 1 334.445 0.822 20 30 ECEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000933099183 608712348 /nfs/dbraw/zinc/71/23/48/608712348.db2.gz SWFAGOMEFVBRIA-HNNXBMFYSA-N 1 1 334.445 0.822 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC000949526417 608738790 /nfs/dbraw/zinc/73/87/90/608738790.db2.gz UAJTXSNQHFJFLL-UHFFFAOYSA-N 1 1 347.459 0.716 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC000949526417 608738792 /nfs/dbraw/zinc/73/87/92/608738792.db2.gz UAJTXSNQHFJFLL-UHFFFAOYSA-N 1 1 347.459 0.716 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC000949526405 608738814 /nfs/dbraw/zinc/73/88/14/608738814.db2.gz SPFUMEINKSSNAR-UHFFFAOYSA-N 1 1 331.416 0.728 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC000949526405 608738816 /nfs/dbraw/zinc/73/88/16/608738816.db2.gz SPFUMEINKSSNAR-UHFFFAOYSA-N 1 1 331.416 0.728 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C[C@H]2CCCO2)CC1 ZINC000947230297 608814077 /nfs/dbraw/zinc/81/40/77/608814077.db2.gz PLGSFVVWHRHLOB-SJORKVTESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C[C@H]2CCCO2)CC1 ZINC000947230297 608814080 /nfs/dbraw/zinc/81/40/80/608814080.db2.gz PLGSFVVWHRHLOB-SJORKVTESA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C[C@@H]1C ZINC000947510169 608843356 /nfs/dbraw/zinc/84/33/56/608843356.db2.gz JDJNIGHSDWLKTN-GJZGRUSLSA-N 1 1 332.448 0.977 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C[C@@H]1C ZINC000947510169 608843360 /nfs/dbraw/zinc/84/33/60/608843360.db2.gz JDJNIGHSDWLKTN-GJZGRUSLSA-N 1 1 332.448 0.977 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC000936911794 608885803 /nfs/dbraw/zinc/88/58/03/608885803.db2.gz MWZASQVCVSCIEN-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC000947821326 608954590 /nfs/dbraw/zinc/95/45/90/608954590.db2.gz SSORJUSHTKDTNV-GHMZBOCLSA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC000947821326 608954591 /nfs/dbraw/zinc/95/45/91/608954591.db2.gz SSORJUSHTKDTNV-GHMZBOCLSA-N 1 1 328.800 0.260 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947218051 608969707 /nfs/dbraw/zinc/96/97/07/608969707.db2.gz VSXVWPINLQOJNR-STQMWFEESA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)no2)C1 ZINC000937671384 609003555 /nfs/dbraw/zinc/00/35/55/609003555.db2.gz RBPSTEUUOGBMHM-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)no2)C1 ZINC000937671384 609003559 /nfs/dbraw/zinc/00/35/59/609003559.db2.gz RBPSTEUUOGBMHM-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000937181707 609020933 /nfs/dbraw/zinc/02/09/33/609020933.db2.gz RQHWCTPZJSXTBT-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937181961 609021310 /nfs/dbraw/zinc/02/13/10/609021310.db2.gz VSQBYWBVTODMPO-OCCSQVGLSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC000937723966 609036839 /nfs/dbraw/zinc/03/68/39/609036839.db2.gz UEUXGVISFYRPOX-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC000937723966 609036843 /nfs/dbraw/zinc/03/68/43/609036843.db2.gz UEUXGVISFYRPOX-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000937777865 609070414 /nfs/dbraw/zinc/07/04/14/609070414.db2.gz HUUDKJNGQPUPDW-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000937777865 609070416 /nfs/dbraw/zinc/07/04/16/609070416.db2.gz HUUDKJNGQPUPDW-HOTGVXAUSA-N 1 1 335.448 0.781 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)c1 ZINC000937796544 609089794 /nfs/dbraw/zinc/08/97/94/609089794.db2.gz ZYJBBLZADNRNLA-KSSFIOAISA-N 1 1 341.415 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)sn2)C1 ZINC000937882644 609371957 /nfs/dbraw/zinc/37/19/57/609371957.db2.gz VVFNFHURWADYLM-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)sn2)C1 ZINC000937882644 609371959 /nfs/dbraw/zinc/37/19/59/609371959.db2.gz VVFNFHURWADYLM-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@@H]1C ZINC000947797186 611695042 /nfs/dbraw/zinc/69/50/42/611695042.db2.gz ZJVPCGVFQDLUBF-KBPBESRZSA-N 1 1 334.424 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C)nn2)C1 ZINC000938170043 609481481 /nfs/dbraw/zinc/48/14/81/609481481.db2.gz BVBJZNNPBCXAAR-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C)nn2)C1 ZINC000938170043 609481483 /nfs/dbraw/zinc/48/14/83/609481483.db2.gz BVBJZNNPBCXAAR-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000938171426 609483987 /nfs/dbraw/zinc/48/39/87/609483987.db2.gz DQNWBYBLCLAFFE-HOCLYGCPSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000938171426 609483988 /nfs/dbraw/zinc/48/39/88/609483988.db2.gz DQNWBYBLCLAFFE-HOCLYGCPSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000938173389 609487276 /nfs/dbraw/zinc/48/72/76/609487276.db2.gz RBNSQEFXMUDVCH-QZWWFDLISA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000938173389 609487277 /nfs/dbraw/zinc/48/72/77/609487277.db2.gz RBNSQEFXMUDVCH-QZWWFDLISA-N 1 1 347.459 0.616 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000913478072 609680243 /nfs/dbraw/zinc/68/02/43/609680243.db2.gz BWIUNCDBVUHGQX-SJLPKXTDSA-N 1 1 328.416 0.662 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000913478071 609680364 /nfs/dbraw/zinc/68/03/64/609680364.db2.gz BWIUNCDBVUHGQX-FUHWJXTLSA-N 1 1 328.416 0.662 20 30 ECEDMO CC[N@H+]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000910285859 609714284 /nfs/dbraw/zinc/71/42/84/609714284.db2.gz VNWQRYGZGXALRU-PHODEOQFSA-N 1 1 334.420 0.846 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C ZINC000948071383 609721864 /nfs/dbraw/zinc/72/18/64/609721864.db2.gz XNAMZTVJYXWUNV-STQMWFEESA-N 1 1 334.424 0.312 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC000948796372 609751014 /nfs/dbraw/zinc/75/10/14/609751014.db2.gz FGJVEANJSHRDSE-LSDHHAIUSA-N 1 1 330.436 0.572 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000938372218 609758880 /nfs/dbraw/zinc/75/88/80/609758880.db2.gz ASJXXLYDXRRNPI-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=O ZINC000172938510 609777356 /nfs/dbraw/zinc/77/73/56/609777356.db2.gz DHWDERZHQNWYKC-BETUJISGSA-N 1 1 332.404 0.089 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=O ZINC000172938510 609777357 /nfs/dbraw/zinc/77/73/57/609777357.db2.gz DHWDERZHQNWYKC-BETUJISGSA-N 1 1 332.404 0.089 20 30 ECEDMO C=CCn1cc(CNC(=O)CCC[NH+]2CCN(C(C)C)CC2)nn1 ZINC000911278221 609836517 /nfs/dbraw/zinc/83/65/17/609836517.db2.gz JCWXLWURNBYJLD-UHFFFAOYSA-N 1 1 334.468 0.887 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@@H]1C ZINC000947853660 611719099 /nfs/dbraw/zinc/71/90/99/611719099.db2.gz UKMCZGROIUFFMH-WCQYABFASA-N 1 1 332.404 0.731 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C ZINC000947853659 611719328 /nfs/dbraw/zinc/71/93/28/611719328.db2.gz UKMCZGROIUFFMH-DGCLKSJQSA-N 1 1 332.404 0.731 20 30 ECEDMO CC(C)N1CC[NH+](CCC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)CC1 ZINC000911714576 609907495 /nfs/dbraw/zinc/90/74/95/609907495.db2.gz SCWFKIIOPDPBLS-IRXDYDNUSA-N 1 1 335.496 0.847 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000938705344 609953456 /nfs/dbraw/zinc/95/34/56/609953456.db2.gz IUDUPXTUZXYXAK-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(CC)(CC)C2=O)C1 ZINC000923598681 609961745 /nfs/dbraw/zinc/96/17/45/609961745.db2.gz WVCQNPKIPLEUEO-CYBMUJFWSA-N 1 1 334.420 0.311 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(CC)(CC)C2=O)C1 ZINC000923598681 609961746 /nfs/dbraw/zinc/96/17/46/609961746.db2.gz WVCQNPKIPLEUEO-CYBMUJFWSA-N 1 1 334.420 0.311 20 30 ECEDMO CCN1CCN([C@@H](C)CNC(NC(C)(C)C)=[NH+]CCOC)CC1 ZINC000912507132 609963106 /nfs/dbraw/zinc/96/31/06/609963106.db2.gz VOWOVKDBDPDSMX-HNNXBMFYSA-N 1 1 327.517 0.993 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C(C)(F)F)C1 ZINC000938756279 609982029 /nfs/dbraw/zinc/98/20/29/609982029.db2.gz LUBFISUHAONXAY-OLZOCXBDSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C(C)(F)F)C1 ZINC000938756279 609982030 /nfs/dbraw/zinc/98/20/30/609982030.db2.gz LUBFISUHAONXAY-OLZOCXBDSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2n[nH]cc2F)C1 ZINC000938756763 609982461 /nfs/dbraw/zinc/98/24/61/609982461.db2.gz XFQMMIKYUAJRII-JSGCOSHPSA-N 1 1 347.394 0.319 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2n[nH]cc2F)C1 ZINC000938756763 609982462 /nfs/dbraw/zinc/98/24/62/609982462.db2.gz XFQMMIKYUAJRII-JSGCOSHPSA-N 1 1 347.394 0.319 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC000938756859 609982484 /nfs/dbraw/zinc/98/24/84/609982484.db2.gz ZLLGVSFZLWVVPD-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC000938756859 609982485 /nfs/dbraw/zinc/98/24/85/609982485.db2.gz ZLLGVSFZLWVVPD-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#C[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1)C1CCOCC1 ZINC000912690902 609990604 /nfs/dbraw/zinc/99/06/04/609990604.db2.gz SBEYUCRWQFWKBL-HOTGVXAUSA-N 1 1 336.432 0.806 20 30 ECEDMO C#C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1)C1CCOCC1 ZINC000912690902 609990607 /nfs/dbraw/zinc/99/06/07/609990607.db2.gz SBEYUCRWQFWKBL-HOTGVXAUSA-N 1 1 336.432 0.806 20 30 ECEDMO C#C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1)C1CCOCC1 ZINC000912690901 609990937 /nfs/dbraw/zinc/99/09/37/609990937.db2.gz SBEYUCRWQFWKBL-CVEARBPZSA-N 1 1 336.432 0.806 20 30 ECEDMO C#C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1)C1CCOCC1 ZINC000912690901 609990939 /nfs/dbraw/zinc/99/09/39/609990939.db2.gz SBEYUCRWQFWKBL-CVEARBPZSA-N 1 1 336.432 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000948834783 611724344 /nfs/dbraw/zinc/72/43/44/611724344.db2.gz OBKZOYGFNHSJES-INIZCTEOSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000948834783 611724347 /nfs/dbraw/zinc/72/43/47/611724347.db2.gz OBKZOYGFNHSJES-INIZCTEOSA-N 1 1 343.431 0.476 20 30 ECEDMO C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](CO)C1 ZINC000912736669 609994407 /nfs/dbraw/zinc/99/44/07/609994407.db2.gz AMULUIDCXLGGFB-CABCVRRESA-N 1 1 346.406 0.659 20 30 ECEDMO C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](CO)C1 ZINC000912736669 609994410 /nfs/dbraw/zinc/99/44/10/609994410.db2.gz AMULUIDCXLGGFB-CABCVRRESA-N 1 1 346.406 0.659 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)COc2cccc(C#N)c2)CC1 ZINC000918695886 610015863 /nfs/dbraw/zinc/01/58/63/610015863.db2.gz CXEPTTXCFMZASJ-UHFFFAOYSA-N 1 1 330.388 0.217 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000939934036 610170942 /nfs/dbraw/zinc/17/09/42/610170942.db2.gz HTYBPIZSEVIVPQ-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000940063062 610198957 /nfs/dbraw/zinc/19/89/57/610198957.db2.gz WTBZDDGQPBWBEJ-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000940064010 610199151 /nfs/dbraw/zinc/19/91/51/610199151.db2.gz XJXIONQNFBWCIB-IJEWVQPXSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC000940202443 610240485 /nfs/dbraw/zinc/24/04/85/610240485.db2.gz VIPULRKJRKQQKM-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC000940202443 610240486 /nfs/dbraw/zinc/24/04/86/610240486.db2.gz VIPULRKJRKQQKM-BBWFWOEESA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2(C)CCN(C(=O)c3[nH]nnc3C)CC2)C1=O ZINC000940248655 610249635 /nfs/dbraw/zinc/24/96/35/610249635.db2.gz DKHMDAWSHNMVBB-CYBMUJFWSA-N 1 1 346.435 0.484 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4cn[nH]c43)CC2)C1 ZINC000941410853 610301874 /nfs/dbraw/zinc/30/18/74/610301874.db2.gz PEKKYHKWTLYKIT-KRWDZBQOSA-N 1 1 341.459 0.681 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1 ZINC000941412868 610302732 /nfs/dbraw/zinc/30/27/32/610302732.db2.gz NLQWIJSNJNVBCX-ROUUACIJSA-N 1 1 333.476 0.899 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 ZINC000941430686 610311789 /nfs/dbraw/zinc/31/17/89/610311789.db2.gz BCOGCUDKAGMLDS-UHFFFAOYSA-N 1 1 329.448 0.847 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc(C)nc3OC)CC2)C1 ZINC000941430660 610311821 /nfs/dbraw/zinc/31/18/21/610311821.db2.gz AUDBYMOCFCYKDS-UHFFFAOYSA-N 1 1 331.420 0.422 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn(C(C)(C)C)nn3)CC2)C1 ZINC000941431257 610312262 /nfs/dbraw/zinc/31/22/62/610312262.db2.gz LYLNCOFHSGHKAT-UHFFFAOYSA-N 1 1 344.463 0.498 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccnc4ccnn43)CC2)C1 ZINC000941436855 610314659 /nfs/dbraw/zinc/31/46/59/610314659.db2.gz JADLDJNZOZLZDD-UHFFFAOYSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)C1 ZINC000941448830 610323945 /nfs/dbraw/zinc/32/39/45/610323945.db2.gz GDFXHLMEWFPJLR-UHFFFAOYSA-N 1 1 329.448 0.847 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc4n[nH]cc4c3)CC2)C1 ZINC000941451617 610325970 /nfs/dbraw/zinc/32/59/70/610325970.db2.gz MVKKDUDLYOFXEX-UHFFFAOYSA-N 1 1 338.415 0.423 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941471400 610329997 /nfs/dbraw/zinc/32/99/97/610329997.db2.gz ZPUJDCYRKORLEI-IBGZPJMESA-N 1 1 346.519 0.959 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccnc4c3CC(=O)N4)CC2)C1 ZINC000941472101 610330579 /nfs/dbraw/zinc/33/05/79/610330579.db2.gz SOXSOGLFLXZYGM-UHFFFAOYSA-N 1 1 341.415 0.204 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(C(N)=O)cn3C)CC2)C1 ZINC000941474905 610331351 /nfs/dbraw/zinc/33/13/51/610331351.db2.gz DOJAGIOZIPXWPU-UHFFFAOYSA-N 1 1 345.447 0.142 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC23CC3)CC1 ZINC000941464877 610333918 /nfs/dbraw/zinc/33/39/18/610333918.db2.gz BAACWJULFPYQKG-CVEARBPZSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC23CC3)CC1 ZINC000941464877 610333919 /nfs/dbraw/zinc/33/39/19/610333919.db2.gz BAACWJULFPYQKG-CVEARBPZSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)C1 ZINC000941479998 610335118 /nfs/dbraw/zinc/33/51/18/610335118.db2.gz FPXYSLCPKSQUOT-LJQANCHMSA-N 1 1 339.439 0.842 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)C1 ZINC000941483985 610337150 /nfs/dbraw/zinc/33/71/50/610337150.db2.gz LUFXHCYKLCWGDS-UHFFFAOYSA-N 1 1 345.447 0.684 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnc4nccn4c3)CC2)C1 ZINC000941488080 610338984 /nfs/dbraw/zinc/33/89/84/610338984.db2.gz ZSFOXAGUYCLEON-UHFFFAOYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4nc(C)nn4C3)CC2)C1 ZINC000941499830 610344495 /nfs/dbraw/zinc/34/44/95/610344495.db2.gz FRQMETDOIKEMME-HNNXBMFYSA-N 1 1 344.463 0.163 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000940720184 610345923 /nfs/dbraw/zinc/34/59/23/610345923.db2.gz FVWUTNBOHIKCNR-VYDXJSESSA-N 1 1 346.431 0.890 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000940785794 610361277 /nfs/dbraw/zinc/36/12/77/610361277.db2.gz POZNQEIXZGUABA-CYBMUJFWSA-N 1 1 329.466 0.425 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc4n3CCCC4)CC2)C1 ZINC000941531651 610362889 /nfs/dbraw/zinc/36/28/89/610362889.db2.gz CNJJJYZHNKLMCD-UHFFFAOYSA-N 1 1 329.448 0.847 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C(C)(C)C1 ZINC000940771141 610364579 /nfs/dbraw/zinc/36/45/79/610364579.db2.gz JZXDAJDVKHDOKL-CYBMUJFWSA-N 1 1 332.452 0.821 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cccn3nnnc23)C(C)(C)C1 ZINC000940773496 610365531 /nfs/dbraw/zinc/36/55/31/610365531.db2.gz DCEIMUKNIQXAIN-AWEZNQCLSA-N 1 1 326.404 0.978 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC000941571213 610378185 /nfs/dbraw/zinc/37/81/85/610378185.db2.gz PBCWOAPHPTYSPC-CABCVRRESA-N 1 1 334.464 0.293 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3nnn(CC)c3CC)CC2)C1 ZINC000941564038 610384539 /nfs/dbraw/zinc/38/45/39/610384539.db2.gz USXYRDKTDXJGMG-UHFFFAOYSA-N 1 1 344.463 0.326 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3cn(C)nc3Cl)CC2)C1 ZINC000941565334 610385656 /nfs/dbraw/zinc/38/56/56/610385656.db2.gz XAFXXSQJIYLVQJ-UHFFFAOYSA-N 1 1 349.866 0.468 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C ZINC000947895899 610393297 /nfs/dbraw/zinc/39/32/97/610393297.db2.gz TXWDQXQJAKRWLW-CHWSQXEVSA-N 1 1 334.420 0.309 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)C1 ZINC000941582713 610394082 /nfs/dbraw/zinc/39/40/82/610394082.db2.gz UMNXLGWCJWOCGJ-UHFFFAOYSA-N 1 1 328.416 0.561 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000940847339 610397843 /nfs/dbraw/zinc/39/78/43/610397843.db2.gz VPUDAXTVVSKGFE-HNNXBMFYSA-N 1 1 334.464 0.000 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cn3ccc(C)cc3=O)CC2)C1 ZINC000941589921 610398655 /nfs/dbraw/zinc/39/86/55/610398655.db2.gz AEJXFJBCFWYIPJ-UHFFFAOYSA-N 1 1 342.443 0.008 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000941596423 610413736 /nfs/dbraw/zinc/41/37/36/610413736.db2.gz GDEZRNVSUHDIJH-INIZCTEOSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC(C)CC3)CC2)C1 ZINC000941596990 610414442 /nfs/dbraw/zinc/41/44/42/610414442.db2.gz WHXKEYVXJYKXSR-UHFFFAOYSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC000941630529 610417390 /nfs/dbraw/zinc/41/73/90/610417390.db2.gz RHBPQPVVBWKWGI-UHFFFAOYSA-N 1 1 331.420 0.503 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC000941639395 610424694 /nfs/dbraw/zinc/42/46/94/610424694.db2.gz QZSJIDZKBROYMB-CQSZACIVSA-N 1 1 329.448 0.529 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC000941650553 610441073 /nfs/dbraw/zinc/44/10/73/610441073.db2.gz DIOMTMXHPPKCPD-UHFFFAOYSA-N 1 1 328.420 0.681 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3nc(C4CC4)nn3C)CC2)C1 ZINC000941671938 610445927 /nfs/dbraw/zinc/44/59/27/610445927.db2.gz QBIUHHLBDCSVAJ-UHFFFAOYSA-N 1 1 344.463 0.249 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000942452980 610466903 /nfs/dbraw/zinc/46/69/03/610466903.db2.gz YVJAWKUABBBACR-BMFZPTHFSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)CC1 ZINC000940964191 610468766 /nfs/dbraw/zinc/46/87/66/610468766.db2.gz LDOFKWHOQQVSOW-OAHLLOKOSA-N 1 1 343.431 0.394 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 ZINC000941788198 610494459 /nfs/dbraw/zinc/49/44/59/610494459.db2.gz DDYIIMAZMXMAFI-ONGXEEELSA-N 1 1 343.229 0.408 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 ZINC000941788198 610494461 /nfs/dbraw/zinc/49/44/61/610494461.db2.gz DDYIIMAZMXMAFI-ONGXEEELSA-N 1 1 343.229 0.408 20 30 ECEDMO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000941795927 610502765 /nfs/dbraw/zinc/50/27/65/610502765.db2.gz OZZIQHIZCOTBML-BRWVUGGUSA-N 1 1 347.459 0.615 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1 ZINC000941029050 610505010 /nfs/dbraw/zinc/50/50/10/610505010.db2.gz RBGFCBBNXQXTLP-PMPSAXMXSA-N 1 1 349.475 0.862 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C[C@@H]2C)c1 ZINC000942618373 610539847 /nfs/dbraw/zinc/53/98/47/610539847.db2.gz VAUORSGCQVCCFG-SUMWQHHRSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C[C@@H]2C)c1 ZINC000942618373 610539849 /nfs/dbraw/zinc/53/98/49/610539849.db2.gz VAUORSGCQVCCFG-SUMWQHHRSA-N 1 1 338.415 0.832 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931207 610568340 /nfs/dbraw/zinc/56/83/40/610568340.db2.gz XPVCAPHONBAKMH-WFASDCNBSA-N 1 1 343.431 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)CC2(C)C)cn1 ZINC000941168744 610582740 /nfs/dbraw/zinc/58/27/40/610582740.db2.gz GAVKWDQXNKTOLL-JKSUJKDBSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000941237703 610621665 /nfs/dbraw/zinc/62/16/65/610621665.db2.gz GTZKAALZYSFGPM-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000941237703 610621668 /nfs/dbraw/zinc/62/16/68/610621668.db2.gz GTZKAALZYSFGPM-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(C)(C)C1 ZINC000941237892 610621839 /nfs/dbraw/zinc/62/18/39/610621839.db2.gz SEVVVVQDHJSRDH-CQSZACIVSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=C(C)OCCC2)C1 ZINC000941238028 610622374 /nfs/dbraw/zinc/62/23/74/610622374.db2.gz QLOGVPSNDSQENX-WBVHZDCISA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2=C(C)OCCC2)C1 ZINC000941238028 610622376 /nfs/dbraw/zinc/62/23/76/610622376.db2.gz QLOGVPSNDSQENX-WBVHZDCISA-N 1 1 345.443 0.886 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942816710 610639168 /nfs/dbraw/zinc/63/91/68/610639168.db2.gz VOOXFCMZDXWLFM-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942816710 610639170 /nfs/dbraw/zinc/63/91/70/610639170.db2.gz VOOXFCMZDXWLFM-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](C)C1 ZINC000942855840 610659340 /nfs/dbraw/zinc/65/93/40/610659340.db2.gz BNPNHRGZLAWMHG-KBPBESRZSA-N 1 1 330.432 0.814 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408650 610722846 /nfs/dbraw/zinc/72/28/46/610722846.db2.gz OPIVEGNMORXXTA-IRXDYDNUSA-N 1 1 330.476 0.322 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3cc(OC)no3)CC2)C1 ZINC000941423843 610724274 /nfs/dbraw/zinc/72/42/74/610724274.db2.gz CQZSFLYGOUWTEG-UHFFFAOYSA-N 1 1 346.431 0.468 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@@H](C)C1 ZINC000944134126 610751389 /nfs/dbraw/zinc/75/13/89/610751389.db2.gz AZBOAZNBJOCFCH-GXTWGEPZSA-N 1 1 327.388 0.898 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C[C@@H]1C ZINC000944214161 610786442 /nfs/dbraw/zinc/78/64/42/610786442.db2.gz ISBOESJULCZQOH-DZGCQCFKSA-N 1 1 344.415 0.280 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@@H]1C ZINC000944214161 610786443 /nfs/dbraw/zinc/78/64/43/610786443.db2.gz ISBOESJULCZQOH-DZGCQCFKSA-N 1 1 344.415 0.280 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1nocc1C ZINC000944293127 610824310 /nfs/dbraw/zinc/82/43/10/610824310.db2.gz JFHLISJJQWZXRU-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1nocc1C ZINC000944293127 610824311 /nfs/dbraw/zinc/82/43/11/610824311.db2.gz JFHLISJJQWZXRU-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C)O1 ZINC000944320161 610826823 /nfs/dbraw/zinc/82/68/23/610826823.db2.gz MWQYLMNREASIIB-WCXIOVBPSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C)O1 ZINC000944320161 610826825 /nfs/dbraw/zinc/82/68/25/610826825.db2.gz MWQYLMNREASIIB-WCXIOVBPSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@H](C)C1 ZINC000944921080 610840674 /nfs/dbraw/zinc/84/06/74/610840674.db2.gz YJOOZCMLESUTAD-KGLIPLIRSA-N 1 1 326.404 0.517 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@@H](C)C1 ZINC000944921081 610840811 /nfs/dbraw/zinc/84/08/11/610840811.db2.gz YJOOZCMLESUTAD-UONOGXRCSA-N 1 1 326.404 0.517 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C[C@@H]2C)nn1 ZINC000943498322 610884457 /nfs/dbraw/zinc/88/44/57/610884457.db2.gz OYCBTXRMWMSMQY-QWHCGFSZSA-N 1 1 334.424 0.040 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C[C@@H]2C)nn1 ZINC000943498322 610884459 /nfs/dbraw/zinc/88/44/59/610884459.db2.gz OYCBTXRMWMSMQY-QWHCGFSZSA-N 1 1 334.424 0.040 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H](C)C1 ZINC000944444146 610889756 /nfs/dbraw/zinc/88/97/56/610889756.db2.gz JKNJDHZXIFQFJV-DGCLKSJQSA-N 1 1 325.372 0.804 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2 ZINC000945035403 610890310 /nfs/dbraw/zinc/89/03/10/610890310.db2.gz ODKBANRBBGAXLC-ZDUSSCGKSA-N 1 1 329.404 0.802 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)[C@H](OC)C1 ZINC000944519653 610926267 /nfs/dbraw/zinc/92/62/67/610926267.db2.gz FLTUECWGNQPEQO-DGXTUMSLSA-N 1 1 333.432 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)[C@H](OC)C1 ZINC000944519653 610926270 /nfs/dbraw/zinc/92/62/70/610926270.db2.gz FLTUECWGNQPEQO-DGXTUMSLSA-N 1 1 333.432 0.082 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H](C)C1 ZINC000943647739 610928136 /nfs/dbraw/zinc/92/81/36/610928136.db2.gz QTVQGDJZJXNDTH-BXUZGUMPSA-N 1 1 329.404 0.957 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](C)C1 ZINC000945177969 610933631 /nfs/dbraw/zinc/93/36/31/610933631.db2.gz DLKAHFZQOKOAGF-KBPBESRZSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1CCOCC1 ZINC000943816211 610993577 /nfs/dbraw/zinc/99/35/77/610993577.db2.gz RUWKRAFOHDACDF-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C1CCOCC1 ZINC000943816211 610993579 /nfs/dbraw/zinc/99/35/79/610993579.db2.gz RUWKRAFOHDACDF-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ncoc1C ZINC000943900691 611022501 /nfs/dbraw/zinc/02/25/01/611022501.db2.gz WDUHGXWRNXOGSX-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ncoc1C ZINC000943900691 611022504 /nfs/dbraw/zinc/02/25/04/611022504.db2.gz WDUHGXWRNXOGSX-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)OC ZINC000943903019 611023851 /nfs/dbraw/zinc/02/38/51/611023851.db2.gz CNPQLNWEFCZQNK-PMPSAXMXSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)OC ZINC000943903019 611023854 /nfs/dbraw/zinc/02/38/54/611023854.db2.gz CNPQLNWEFCZQNK-PMPSAXMXSA-N 1 1 335.448 0.616 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944630986 611032818 /nfs/dbraw/zinc/03/28/18/611032818.db2.gz AUYJFNWXTALWNR-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ocnc1C ZINC000943933293 611047747 /nfs/dbraw/zinc/04/77/47/611047747.db2.gz BUHSAHJDBNLYOO-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ocnc1C ZINC000943933293 611047749 /nfs/dbraw/zinc/04/77/49/611047749.db2.gz BUHSAHJDBNLYOO-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC000943938725 611048137 /nfs/dbraw/zinc/04/81/37/611048137.db2.gz AXSWSPFUIIIAME-ZIAGYGMSSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccoc2)CCO1 ZINC000944646421 611055591 /nfs/dbraw/zinc/05/55/91/611055591.db2.gz HSKKFSCZTDBKPO-CVEARBPZSA-N 1 1 345.399 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccoc2)CCO1 ZINC000944646421 611055593 /nfs/dbraw/zinc/05/55/93/611055593.db2.gz HSKKFSCZTDBKPO-CVEARBPZSA-N 1 1 345.399 0.334 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H](C)C1 ZINC000944034589 611098064 /nfs/dbraw/zinc/09/80/64/611098064.db2.gz VWCCUAHFEAPJCS-KGLIPLIRSA-N 1 1 333.436 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cnco1 ZINC000944101421 611124614 /nfs/dbraw/zinc/12/46/14/611124614.db2.gz UYVUDAKZSBMPFM-KGLIPLIRSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cnco1 ZINC000944101421 611124615 /nfs/dbraw/zinc/12/46/15/611124615.db2.gz UYVUDAKZSBMPFM-KGLIPLIRSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cscn1 ZINC000944097604 611130607 /nfs/dbraw/zinc/13/06/07/611130607.db2.gz GWOZEONRWJIYQK-HIFRSBDPSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cscn1 ZINC000944097604 611130608 /nfs/dbraw/zinc/13/06/08/611130608.db2.gz GWOZEONRWJIYQK-HIFRSBDPSA-N 1 1 346.456 0.962 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]3CC2)nn1 ZINC000946815622 611171036 /nfs/dbraw/zinc/17/10/36/611171036.db2.gz IAOWBWJDFXQEBT-GASCZTMLSA-N 1 1 333.436 0.631 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)CC[C@@H]2C1 ZINC000946819287 611171899 /nfs/dbraw/zinc/17/18/99/611171899.db2.gz ZNBJXQRBKIXCKC-QLFBSQMISA-N 1 1 341.477 0.377 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cnccc3=O)CC[C@@H]2C1 ZINC000946839808 611188463 /nfs/dbraw/zinc/18/84/63/611188463.db2.gz NHWBJMHKADPENC-CALCHBBNSA-N 1 1 342.443 0.827 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000946092306 611227839 /nfs/dbraw/zinc/22/78/39/611227839.db2.gz HDXUCDXHJBRWEP-UHFFFAOYSA-N 1 1 340.387 0.812 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)CC[C@@H]2C1 ZINC000946890172 611230386 /nfs/dbraw/zinc/23/03/86/611230386.db2.gz HSGVCCXQORBFGK-OKILXGFUSA-N 1 1 344.415 0.293 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000923412546 611240552 /nfs/dbraw/zinc/24/05/52/611240552.db2.gz ZSMNYGXGMFFTSI-HZPDHXFCSA-N 1 1 331.416 0.953 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000923412546 611240554 /nfs/dbraw/zinc/24/05/54/611240554.db2.gz ZSMNYGXGMFFTSI-HZPDHXFCSA-N 1 1 331.416 0.953 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)CC[C@@H]2C1 ZINC000946906994 611249811 /nfs/dbraw/zinc/24/98/11/611249811.db2.gz QFPIAQKSXQSXIZ-GASCZTMLSA-N 1 1 330.432 0.531 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cn(C)nn3)CC[C@@H]2C1 ZINC000946913422 611256539 /nfs/dbraw/zinc/25/65/39/611256539.db2.gz KECNODVZPBVONI-IYBDPMFKSA-N 1 1 329.448 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(OC)c(-n3cnnn3)c2)C1 ZINC000923564944 611264133 /nfs/dbraw/zinc/26/41/33/611264133.db2.gz BDFOHCQFNOZSMV-CQSZACIVSA-N 1 1 340.387 0.498 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC)c(-n3cnnn3)c2)C1 ZINC000923564944 611264134 /nfs/dbraw/zinc/26/41/34/611264134.db2.gz BDFOHCQFNOZSMV-CQSZACIVSA-N 1 1 340.387 0.498 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1 ZINC000923592799 611270961 /nfs/dbraw/zinc/27/09/61/611270961.db2.gz USPBDAHXIDWVPN-HNNXBMFYSA-N 1 1 349.456 0.778 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1 ZINC000923592799 611270962 /nfs/dbraw/zinc/27/09/62/611270962.db2.gz USPBDAHXIDWVPN-HNNXBMFYSA-N 1 1 349.456 0.778 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000948647921 611280173 /nfs/dbraw/zinc/28/01/73/611280173.db2.gz NLMYXRJUAYBLSH-GJZGRUSLSA-N 1 1 343.418 0.898 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000946517551 611296358 /nfs/dbraw/zinc/29/63/58/611296358.db2.gz FISYWOIUECAQBZ-WBMJQRKESA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nnnn3C)C[C@H]2CC1 ZINC000946521410 611298509 /nfs/dbraw/zinc/29/85/09/611298509.db2.gz RARZBBVIRUGOJL-SYQHCUMBSA-N 1 1 331.424 0.601 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC(N)=O)CC[C@@H]2C1 ZINC000946526874 611302579 /nfs/dbraw/zinc/30/25/79/611302579.db2.gz PNZKXHLGRHXCHN-TXEJJXNPSA-N 1 1 344.253 0.941 20 30 ECEDMO CCCCCCCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842511318 611314013 /nfs/dbraw/zinc/31/40/13/611314013.db2.gz BZCMJWXXERBEDT-UHFFFAOYSA-N 1 1 331.482 0.793 20 30 ECEDMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1 ZINC000946550586 611317569 /nfs/dbraw/zinc/31/75/69/611317569.db2.gz KDYGEYLJNLZHFZ-RWMBFGLXSA-N 1 1 329.404 0.544 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)CC[C@@H]2C1 ZINC000946553135 611317929 /nfs/dbraw/zinc/31/79/29/611317929.db2.gz YGVVKDSGIQAOSK-BETUJISGSA-N 1 1 339.827 0.907 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000921885196 611323612 /nfs/dbraw/zinc/32/36/12/611323612.db2.gz OSTYBHPVBGOMIF-IRXDYDNUSA-N 1 1 331.416 0.437 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921897424 611324474 /nfs/dbraw/zinc/32/44/74/611324474.db2.gz PMOHOLJCVMCDQP-CQSZACIVSA-N 1 1 345.465 0.140 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921897424 611324475 /nfs/dbraw/zinc/32/44/75/611324475.db2.gz PMOHOLJCVMCDQP-CQSZACIVSA-N 1 1 345.465 0.140 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@@H]2CCN2CC)[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000922155648 611340528 /nfs/dbraw/zinc/34/05/28/611340528.db2.gz DJMZTHMJRIANQU-YHUYYLMFSA-N 1 1 334.464 0.209 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@@H]2CCN2CC)[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000922155648 611340529 /nfs/dbraw/zinc/34/05/29/611340529.db2.gz DJMZTHMJRIANQU-YHUYYLMFSA-N 1 1 334.464 0.209 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC)[C@@H]1C(=O)NC[C@@H]1CCN1CC ZINC000922155648 611340531 /nfs/dbraw/zinc/34/05/31/611340531.db2.gz DJMZTHMJRIANQU-YHUYYLMFSA-N 1 1 334.464 0.209 20 30 ECEDMO C=C1[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC)[C@@H]1C(=O)NC[C@@H]1CCN1CC ZINC000922155648 611340533 /nfs/dbraw/zinc/34/05/33/611340533.db2.gz DJMZTHMJRIANQU-YHUYYLMFSA-N 1 1 334.464 0.209 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000922191615 611342512 /nfs/dbraw/zinc/34/25/12/611342512.db2.gz XAMFFBABJFLCDM-ZWKOTPCHSA-N 1 1 345.443 0.961 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000922413237 611350045 /nfs/dbraw/zinc/35/00/45/611350045.db2.gz NRSQIQYHRGIUDL-OFQRWUPVSA-N 1 1 333.436 0.486 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H]2Cc3cc(OC)ccc3O2)CC1 ZINC000929095881 611728453 /nfs/dbraw/zinc/72/84/53/611728453.db2.gz GVTXLNUBPQQGBO-KRWDZBQOSA-N 1 1 345.443 0.919 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)[C@@H](C)C1 ZINC000947943196 611750381 /nfs/dbraw/zinc/75/03/81/611750381.db2.gz JDNZQSOEXQDEGQ-UONOGXRCSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)[C@@H](C)C1 ZINC000947943196 611750383 /nfs/dbraw/zinc/75/03/83/611750383.db2.gz JDNZQSOEXQDEGQ-UONOGXRCSA-N 1 1 344.415 0.422 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H](C)C2)nc1 ZINC000947948635 611752543 /nfs/dbraw/zinc/75/25/43/611752543.db2.gz OLZTVYHJWHRGEW-HOCLYGCPSA-N 1 1 338.415 0.937 20 30 ECEDMO CN1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC[N@@H+](C)CC1 ZINC000933991063 611764075 /nfs/dbraw/zinc/76/40/75/611764075.db2.gz XXVZVVZUNYGMIB-GOSISDBHSA-N 1 1 346.475 0.672 20 30 ECEDMO CN1CCN(C)CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000933991063 611764076 /nfs/dbraw/zinc/76/40/76/611764076.db2.gz XXVZVVZUNYGMIB-GOSISDBHSA-N 1 1 346.475 0.672 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000929752822 611790182 /nfs/dbraw/zinc/79/01/82/611790182.db2.gz QUHWSHHDSDZSFQ-AWEZNQCLSA-N 1 1 341.477 0.391 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000929752823 611790238 /nfs/dbraw/zinc/79/02/38/611790238.db2.gz QUHWSHHDSDZSFQ-CQSZACIVSA-N 1 1 341.477 0.391 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)nc1 ZINC000949142536 611873074 /nfs/dbraw/zinc/87/30/74/611873074.db2.gz BJLDGQDVQBPMNT-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cn(C)nc1C ZINC000949161902 611883881 /nfs/dbraw/zinc/88/38/81/611883881.db2.gz WLLVOSMREYBOCK-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cn(C)nc1C ZINC000949161902 611883885 /nfs/dbraw/zinc/88/38/85/611883885.db2.gz WLLVOSMREYBOCK-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cncs1 ZINC000950754781 611890009 /nfs/dbraw/zinc/89/00/09/611890009.db2.gz YVTVZOVFDJTYHL-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cncs1 ZINC000950754781 611890010 /nfs/dbraw/zinc/89/00/10/611890010.db2.gz YVTVZOVFDJTYHL-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCn1cccc1 ZINC000950755609 611891350 /nfs/dbraw/zinc/89/13/50/611891350.db2.gz PTJUPJYKFZYAAV-IRXDYDNUSA-N 1 1 342.443 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCn1cccc1 ZINC000950755609 611891351 /nfs/dbraw/zinc/89/13/51/611891351.db2.gz PTJUPJYKFZYAAV-IRXDYDNUSA-N 1 1 342.443 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC(F)(F)F ZINC000950755827 611891369 /nfs/dbraw/zinc/89/13/69/611891369.db2.gz VMYWTFMQODUWTH-NEPJUHHUSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC(F)(F)F ZINC000950755827 611891370 /nfs/dbraw/zinc/89/13/70/611891370.db2.gz VMYWTFMQODUWTH-NEPJUHHUSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCc1ccon1 ZINC000950755771 611891445 /nfs/dbraw/zinc/89/14/45/611891445.db2.gz UGCHGCNJVBZBKW-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCc1ccon1 ZINC000950755771 611891446 /nfs/dbraw/zinc/89/14/46/611891446.db2.gz UGCHGCNJVBZBKW-CVEARBPZSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccncc1F ZINC000949210270 611900724 /nfs/dbraw/zinc/90/07/24/611900724.db2.gz BAGRZNDTWQXXIP-CJNGLKHVSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccncc1F ZINC000949210270 611900726 /nfs/dbraw/zinc/90/07/26/611900726.db2.gz BAGRZNDTWQXXIP-CJNGLKHVSA-N 1 1 344.390 0.649 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)Cc1nnc[nH]1)CCO2 ZINC000949226805 611908735 /nfs/dbraw/zinc/90/87/35/611908735.db2.gz MSICIXIEKZWOOS-UHFFFAOYSA-N 1 1 339.827 0.793 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000949346746 611947315 /nfs/dbraw/zinc/94/73/15/611947315.db2.gz VIMNOQWKJMRIMW-UHFFFAOYSA-N 1 1 335.448 0.035 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000949346746 611947317 /nfs/dbraw/zinc/94/73/17/611947317.db2.gz VIMNOQWKJMRIMW-UHFFFAOYSA-N 1 1 335.448 0.035 20 30 ECEDMO N#CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370333 611954790 /nfs/dbraw/zinc/95/47/90/611954790.db2.gz PWFASMBWFPOITK-CVEARBPZSA-N 1 1 348.447 0.067 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394719 611962918 /nfs/dbraw/zinc/96/29/18/611962918.db2.gz ATCYSBNDERQMCT-HZPDHXFCSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394719 611962921 /nfs/dbraw/zinc/96/29/21/611962921.db2.gz ATCYSBNDERQMCT-HZPDHXFCSA-N 1 1 335.448 0.032 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000949414615 611971061 /nfs/dbraw/zinc/97/10/61/611971061.db2.gz KMVCMICJKPPOME-KCQAQPDRSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC000949433565 611978823 /nfs/dbraw/zinc/97/88/23/611978823.db2.gz ZUFMECDYPQFDPT-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC000949433565 611978824 /nfs/dbraw/zinc/97/88/24/611978824.db2.gz ZUFMECDYPQFDPT-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949448366 611984023 /nfs/dbraw/zinc/98/40/23/611984023.db2.gz BNUANMOXSKFRFU-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC3(CC2)C[N@@H+](CCCO)CCO3)c1 ZINC000949468593 611990821 /nfs/dbraw/zinc/99/08/21/611990821.db2.gz ITNPUDLFZNUTHY-UHFFFAOYSA-N 1 1 343.427 0.752 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949480731 611996231 /nfs/dbraw/zinc/99/62/31/611996231.db2.gz XVGWRELPZCENGK-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949480731 611996232 /nfs/dbraw/zinc/99/62/32/611996232.db2.gz XVGWRELPZCENGK-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949480729 611996343 /nfs/dbraw/zinc/99/63/43/611996343.db2.gz XVGWRELPZCENGK-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949480729 611996344 /nfs/dbraw/zinc/99/63/44/611996344.db2.gz XVGWRELPZCENGK-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC3(CC2)C[N@@H+](CCO)CCO3)nn1 ZINC000949489830 612002840 /nfs/dbraw/zinc/00/28/40/612002840.db2.gz RQQAUJWAZHXDSG-UHFFFAOYSA-N 1 1 349.435 0.154 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC000949498680 612008593 /nfs/dbraw/zinc/00/85/93/612008593.db2.gz IJIUEFHNXOHPKT-UHFFFAOYSA-N 1 1 348.451 0.723 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC000949523034 612019629 /nfs/dbraw/zinc/01/96/29/612019629.db2.gz CWOZIKNXKWGGEL-UHFFFAOYSA-N 1 1 344.415 0.111 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC000949523034 612019631 /nfs/dbraw/zinc/01/96/31/612019631.db2.gz CWOZIKNXKWGGEL-UHFFFAOYSA-N 1 1 344.415 0.111 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC000949534043 612023850 /nfs/dbraw/zinc/02/38/50/612023850.db2.gz MOTOOAKNAKXGEJ-QGZVFWFLSA-N 1 1 347.459 0.714 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC000949534043 612023851 /nfs/dbraw/zinc/02/38/51/612023851.db2.gz MOTOOAKNAKXGEJ-QGZVFWFLSA-N 1 1 347.459 0.714 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950517007 612049266 /nfs/dbraw/zinc/04/92/66/612049266.db2.gz FBJDODXXBAYCJH-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000950518138 612050006 /nfs/dbraw/zinc/05/00/06/612050006.db2.gz XHUMZTLHWDIIBQ-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000949664439 612056243 /nfs/dbraw/zinc/05/62/43/612056243.db2.gz IMBFGKYWCHRUEU-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000949664439 612056245 /nfs/dbraw/zinc/05/62/45/612056245.db2.gz IMBFGKYWCHRUEU-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(CC)C(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC000949796285 612079048 /nfs/dbraw/zinc/07/90/48/612079048.db2.gz GRDIXXFNAVAHDN-JKSUJKDBSA-N 1 1 334.464 0.400 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@H](C)C#N)C1 ZINC000952725404 612083764 /nfs/dbraw/zinc/08/37/64/612083764.db2.gz MVYGDPODTUCNQH-WCVJEAGWSA-N 1 1 348.447 0.459 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@H](C)C#N)C1 ZINC000952725404 612083765 /nfs/dbraw/zinc/08/37/65/612083765.db2.gz MVYGDPODTUCNQH-WCVJEAGWSA-N 1 1 348.447 0.459 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC000951223552 612088224 /nfs/dbraw/zinc/08/82/24/612088224.db2.gz KHTXRXYFTMXSRO-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC000951223552 612088225 /nfs/dbraw/zinc/08/82/25/612088225.db2.gz KHTXRXYFTMXSRO-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000951223752 612088474 /nfs/dbraw/zinc/08/84/74/612088474.db2.gz PCKZWULMCUZKQN-HOTGVXAUSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000951223752 612088476 /nfs/dbraw/zinc/08/84/76/612088476.db2.gz PCKZWULMCUZKQN-HOTGVXAUSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000951223843 612089120 /nfs/dbraw/zinc/08/91/20/612089120.db2.gz RBLLRLXMABMWQF-BBWFWOEESA-N 1 1 346.475 0.285 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000952786699 612100977 /nfs/dbraw/zinc/10/09/77/612100977.db2.gz NQMJZGSYWGESNJ-DGXTUMSLSA-N 1 1 348.447 0.457 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000952786699 612100978 /nfs/dbraw/zinc/10/09/78/612100978.db2.gz NQMJZGSYWGESNJ-DGXTUMSLSA-N 1 1 348.447 0.457 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000951950957 612149787 /nfs/dbraw/zinc/14/97/87/612149787.db2.gz NIFFLIJBMKMVFI-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000951950957 612149788 /nfs/dbraw/zinc/14/97/88/612149788.db2.gz NIFFLIJBMKMVFI-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000952011705 612175023 /nfs/dbraw/zinc/17/50/23/612175023.db2.gz ASJYGNBEMLALNT-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC000952011708 612175060 /nfs/dbraw/zinc/17/50/60/612175060.db2.gz ASJYGNBEMLALNT-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)nc1 ZINC000951378604 612195115 /nfs/dbraw/zinc/19/51/15/612195115.db2.gz XBJFFUGPOUVPRT-HUUCEWRRSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC000951385861 612198717 /nfs/dbraw/zinc/19/87/17/612198717.db2.gz OASKHZSIOKYPHW-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000953196167 612200402 /nfs/dbraw/zinc/20/04/02/612200402.db2.gz VQBQPNVWMAQGEU-QAPCUYQASA-N 1 1 348.447 0.319 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000951437184 612233313 /nfs/dbraw/zinc/23/33/13/612233313.db2.gz JGKSZKNIBWVRFU-DLBZAZTESA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000951437184 612233314 /nfs/dbraw/zinc/23/33/14/612233314.db2.gz JGKSZKNIBWVRFU-DLBZAZTESA-N 1 1 341.411 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000952151998 612250875 /nfs/dbraw/zinc/25/08/75/612250875.db2.gz YGIFFDRXUSPRFE-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC000952151998 612250877 /nfs/dbraw/zinc/25/08/77/612250877.db2.gz YGIFFDRXUSPRFE-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1)CC2 ZINC000955136732 612299080 /nfs/dbraw/zinc/29/90/80/612299080.db2.gz ONKCSAVYFDJABB-WCQYABFASA-N 1 1 329.404 0.583 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC000953891731 612399938 /nfs/dbraw/zinc/39/99/38/612399938.db2.gz OEGVJVLLUCPPSD-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC000953891731 612399940 /nfs/dbraw/zinc/39/99/40/612399940.db2.gz OEGVJVLLUCPPSD-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)c3cnc(C)[nH]3)C2)CC1 ZINC000953900958 612412039 /nfs/dbraw/zinc/41/20/39/612412039.db2.gz KPKJYPJDVQHZCM-UHFFFAOYSA-N 1 1 343.431 0.346 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cn(C)nc2C)C1 ZINC000953906982 612427158 /nfs/dbraw/zinc/42/71/58/612427158.db2.gz TVJDCIUMGBLRRM-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cn(C)nc2C)C1 ZINC000953906982 612427162 /nfs/dbraw/zinc/42/71/62/612427162.db2.gz TVJDCIUMGBLRRM-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(F)nc2)C1 ZINC000953907185 612427223 /nfs/dbraw/zinc/42/72/23/612427223.db2.gz ZANPSVBNVWDFOF-HNNXBMFYSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(F)nc2)C1 ZINC000953907185 612427228 /nfs/dbraw/zinc/42/72/28/612427228.db2.gz ZANPSVBNVWDFOF-HNNXBMFYSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(OC)o2)C1 ZINC000954631286 612469279 /nfs/dbraw/zinc/46/92/79/612469279.db2.gz UVCYQQMZPHKMDU-AWEZNQCLSA-N 1 1 345.399 0.669 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(OC)o2)C1 ZINC000954631286 612469283 /nfs/dbraw/zinc/46/92/83/612469283.db2.gz UVCYQQMZPHKMDU-AWEZNQCLSA-N 1 1 345.399 0.669 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2snnc2C)C1 ZINC000954631293 612469393 /nfs/dbraw/zinc/46/93/93/612469393.db2.gz VBMOHQIRZVYWJO-ZDUSSCGKSA-N 1 1 347.444 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2snnc2C)C1 ZINC000954631293 612469397 /nfs/dbraw/zinc/46/93/97/612469397.db2.gz VBMOHQIRZVYWJO-ZDUSSCGKSA-N 1 1 347.444 0.227 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000951720192 612504612 /nfs/dbraw/zinc/50/46/12/612504612.db2.gz ABJMRSYFFZBHAK-XEZPLFJOSA-N 1 1 343.431 0.947 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000956775438 612512790 /nfs/dbraw/zinc/51/27/90/612512790.db2.gz JOWDBEVSCNVZDC-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ocnc1C ZINC000955946411 612520592 /nfs/dbraw/zinc/52/05/92/612520592.db2.gz BUHSAHJDBNLYOO-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ocnc1C ZINC000955946411 612520595 /nfs/dbraw/zinc/52/05/95/612520595.db2.gz BUHSAHJDBNLYOO-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC000954707321 612575708 /nfs/dbraw/zinc/57/57/08/612575708.db2.gz UILXXEGNFHMXNS-KRWDZBQOSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccncn2)C1 ZINC000951764556 612577915 /nfs/dbraw/zinc/57/79/15/612577915.db2.gz VJRMSGDEIKJYSS-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccncn2)C1 ZINC000951764556 612577919 /nfs/dbraw/zinc/57/79/19/612577919.db2.gz VJRMSGDEIKJYSS-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956833554 612604956 /nfs/dbraw/zinc/60/49/56/612604956.db2.gz XBIRJCCOCSEHQH-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956841859 612615434 /nfs/dbraw/zinc/61/54/34/612615434.db2.gz RTAWPSNZAFVQBP-SCLBCKFNSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954088518 612647031 /nfs/dbraw/zinc/64/70/31/612647031.db2.gz OZGUNTDJAKDBED-LBPRGKRZSA-N 1 1 329.404 0.653 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954108166 612671117 /nfs/dbraw/zinc/67/11/17/612671117.db2.gz OOVRRSOAFISAKT-LBPRGKRZSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1CCOCC1 ZINC000956072297 612676135 /nfs/dbraw/zinc/67/61/35/612676135.db2.gz ANCSKVQRNSXYQQ-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C1CCOCC1 ZINC000956072297 612676136 /nfs/dbraw/zinc/67/61/36/612676136.db2.gz ANCSKVQRNSXYQQ-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2n[nH]cc2C)C1 ZINC000956912726 612700772 /nfs/dbraw/zinc/70/07/72/612700772.db2.gz VRJQHGNAYDTDCW-KBXCAEBGSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2n[nH]cc2C)C1 ZINC000956912726 612700774 /nfs/dbraw/zinc/70/07/74/612700774.db2.gz VRJQHGNAYDTDCW-KBXCAEBGSA-N 1 1 343.431 0.537 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000954915126 612784768 /nfs/dbraw/zinc/78/47/68/612784768.db2.gz WECCKDMFVMLGPU-BTUGKURYSA-N 1 1 347.459 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H]2CCOC2)CC1 ZINC000956309997 612824210 /nfs/dbraw/zinc/82/42/10/612824210.db2.gz BGYOORPKNOYXPX-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)[C@@H]2CCOC2)CC1 ZINC000956309997 612824212 /nfs/dbraw/zinc/82/42/12/612824212.db2.gz BGYOORPKNOYXPX-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC000954307723 612840015 /nfs/dbraw/zinc/84/00/15/612840015.db2.gz CBIBVBQYOMUMLQ-HNNXBMFYSA-N 1 1 346.435 0.231 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccnc(C)n2)C1 ZINC000954341364 612865992 /nfs/dbraw/zinc/86/59/92/612865992.db2.gz WVVAXOWGQHNQQP-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccnc(C)n2)C1 ZINC000954341364 612865994 /nfs/dbraw/zinc/86/59/94/612865994.db2.gz WVVAXOWGQHNQQP-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954394166 612889059 /nfs/dbraw/zinc/88/90/59/612889059.db2.gz PKMRVGPZTMUEER-BPUTZDHNSA-N 1 1 335.448 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ncccc2F)C1 ZINC000955112108 612909979 /nfs/dbraw/zinc/90/99/79/612909979.db2.gz SLCZEOAASQFJQE-HNNXBMFYSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ncccc2F)C1 ZINC000955112108 612909980 /nfs/dbraw/zinc/90/99/80/612909980.db2.gz SLCZEOAASQFJQE-HNNXBMFYSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cnns2)C1 ZINC000956732561 612939759 /nfs/dbraw/zinc/93/97/59/612939759.db2.gz LGLOIJBITLGIQC-LRDDRELGSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cnns2)C1 ZINC000956732561 612939760 /nfs/dbraw/zinc/93/97/60/612939760.db2.gz LGLOIJBITLGIQC-LRDDRELGSA-N 1 1 347.444 0.357 20 30 ECEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C)ncc1C#N)CC2 ZINC001164682545 719713056 /nfs/dbraw/zinc/71/30/56/719713056.db2.gz FOQGVALDEHOULR-UHFFFAOYSA-N 1 1 328.420 0.838 20 30 ECEDMO Cc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cnc1C#N ZINC001164747078 720742835 /nfs/dbraw/zinc/74/28/35/720742835.db2.gz ZWFAQHGNSCQRHK-UONOGXRCSA-N 1 1 337.387 0.789 20 30 ECEDMO C=CC[NH+]1CCN(c2ncc3c(n2)N2CCC[C@H]2C(=O)N3C)CC1 ZINC001165031406 721867395 /nfs/dbraw/zinc/86/73/95/721867395.db2.gz HNSUWGFJXHOKSA-ZDUSSCGKSA-N 1 1 328.420 0.730 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971884190 735315741 /nfs/dbraw/zinc/31/57/41/735315741.db2.gz FEVIBWWZKIXACY-NSHDSACASA-N 1 1 326.784 0.234 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971884190 735315744 /nfs/dbraw/zinc/31/57/44/735315744.db2.gz FEVIBWWZKIXACY-NSHDSACASA-N 1 1 326.784 0.234 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cc(C)n[nH]1 ZINC001125561944 735384122 /nfs/dbraw/zinc/38/41/22/735384122.db2.gz XELAVFCKJAMOLE-AWEZNQCLSA-N 1 1 335.452 0.780 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC001041787427 782208680 /nfs/dbraw/zinc/20/86/80/782208680.db2.gz NQGATQYLBBOMAM-KRWDZBQOSA-N 1 1 342.403 0.532 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)COc2ccccc2OC)CC1 ZINC001098561079 735461884 /nfs/dbraw/zinc/46/18/84/735461884.db2.gz QBJSQWONOYCZEU-UHFFFAOYSA-N 1 1 346.427 0.993 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Cc3cnn(C)c3)[C@H]2C1 ZINC001083235928 735496018 /nfs/dbraw/zinc/49/60/18/735496018.db2.gz CLUOGQDHLPJXRO-BHYGNILZSA-N 1 1 330.432 0.534 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Cc3cnn(C)c3)[C@H]2C1 ZINC001083235928 735496021 /nfs/dbraw/zinc/49/60/21/735496021.db2.gz CLUOGQDHLPJXRO-BHYGNILZSA-N 1 1 330.432 0.534 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001098561871 735542762 /nfs/dbraw/zinc/54/27/62/735542762.db2.gz OQTHEEOJNAEEES-UHFFFAOYSA-N 1 1 348.447 0.127 20 30 ECEDMO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1)c1nnnn1C ZINC001024932723 738407867 /nfs/dbraw/zinc/40/78/67/738407867.db2.gz BORDWXGLRBFKQD-WCQYABFASA-N 1 1 342.407 0.755 20 30 ECEDMO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1)c1nnnn1C ZINC001024932722 738407909 /nfs/dbraw/zinc/40/79/09/738407909.db2.gz BORDWXGLRBFKQD-DGCLKSJQSA-N 1 1 342.407 0.755 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000969135880 731518444 /nfs/dbraw/zinc/51/84/44/731518444.db2.gz HZFVQYOIZKFXPT-IRXDYDNUSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cnn(C)c3)C2)C1=O ZINC000969277255 731665980 /nfs/dbraw/zinc/66/59/80/731665980.db2.gz UWJDEUVECHQPFW-WFASDCNBSA-N 1 1 331.420 0.257 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005407 738534138 /nfs/dbraw/zinc/53/41/38/738534138.db2.gz GFJJVIYUMHYONT-CQSZACIVSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005407 738534141 /nfs/dbraw/zinc/53/41/41/738534141.db2.gz GFJJVIYUMHYONT-CQSZACIVSA-N 1 1 329.404 0.605 20 30 ECEDMO CC(C)N1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000969514763 731935882 /nfs/dbraw/zinc/93/58/82/731935882.db2.gz RMVBMBJAKIWAJP-WBMJQRKESA-N 1 1 343.431 0.946 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C2)C1 ZINC001041809904 782247957 /nfs/dbraw/zinc/24/79/57/782247957.db2.gz UNWIBVGFYIGMRZ-SFHVURJKSA-N 1 1 337.383 0.902 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969592756 731991461 /nfs/dbraw/zinc/99/14/61/731991461.db2.gz AMRRZIWRGMYSSV-ZANVPECISA-N 1 1 334.401 0.665 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969596943 731994855 /nfs/dbraw/zinc/99/48/55/731994855.db2.gz WQTZKIDVNUYRMF-BBRMVZONSA-N 1 1 327.384 0.583 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969596947 731994865 /nfs/dbraw/zinc/99/48/65/731994865.db2.gz WQTZKIDVNUYRMF-CZUORRHYSA-N 1 1 327.384 0.583 20 30 ECEDMO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC001208926173 732434200 /nfs/dbraw/zinc/43/42/00/732434200.db2.gz CRVRZDJRUQTYAI-SFHVURJKSA-N 1 1 326.400 0.524 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nnc(CC)o2)C1 ZINC000969865477 732461450 /nfs/dbraw/zinc/46/14/50/732461450.db2.gz OZEVMMRAQOLEDZ-ZFWWWQNUSA-N 1 1 345.447 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nnc(CC)o2)C1 ZINC000969865477 732461453 /nfs/dbraw/zinc/46/14/53/732461453.db2.gz OZEVMMRAQOLEDZ-ZFWWWQNUSA-N 1 1 345.447 0.666 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3CCC)C2)c1 ZINC000969891260 732487712 /nfs/dbraw/zinc/48/77/12/732487712.db2.gz FLSYLBVIZWQQDL-OAHLLOKOSA-N 1 1 339.403 0.464 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001041816643 782261964 /nfs/dbraw/zinc/26/19/64/782261964.db2.gz PLXIUSBPDUFVJP-SFHVURJKSA-N 1 1 348.447 0.817 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC000969925709 732523677 /nfs/dbraw/zinc/52/36/77/732523677.db2.gz DGTJUFNAUPUUMH-RISCZKNCSA-N 1 1 345.403 0.019 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC000973068389 738618428 /nfs/dbraw/zinc/61/84/28/738618428.db2.gz XACAQYCCLDCJRF-SRVKXCTJSA-N 1 1 333.417 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC000973068389 738618430 /nfs/dbraw/zinc/61/84/30/738618430.db2.gz XACAQYCCLDCJRF-SRVKXCTJSA-N 1 1 333.417 0.013 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC001098526681 732554696 /nfs/dbraw/zinc/55/46/96/732554696.db2.gz NTOZKCFKTQMCJU-UHFFFAOYSA-N 1 1 330.432 0.752 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001111774920 738627779 /nfs/dbraw/zinc/62/77/79/738627779.db2.gz HJGNESBMADGNFO-MPGHIAIKSA-N 1 1 335.448 0.686 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041821216 782271599 /nfs/dbraw/zinc/27/15/99/782271599.db2.gz CWUPQTKCMSOCRH-GUYCJALGSA-N 1 1 334.420 0.475 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3cnn(C)n3)[C@H]2C1 ZINC001083195734 732891257 /nfs/dbraw/zinc/89/12/57/732891257.db2.gz LNPQLUYPGWPRLH-JKSUJKDBSA-N 1 1 333.436 0.626 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@](C)(NC(C)=O)C2CC2)CC1 ZINC001098530597 733023631 /nfs/dbraw/zinc/02/36/31/733023631.db2.gz DXWLNHAMVXXJHO-IBGZPJMESA-N 1 1 349.475 0.600 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccc(C#N)nc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001125327540 733048779 /nfs/dbraw/zinc/04/87/79/733048779.db2.gz SSJULXILYCWMJQ-IAGOWNOFSA-N 1 1 345.447 0.693 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC001098532730 733051005 /nfs/dbraw/zinc/05/10/05/733051005.db2.gz BPMSXXLWNFIKDU-OAHLLOKOSA-N 1 1 344.459 0.823 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(C(N)=O)cn3)[C@H]2C1 ZINC001083199489 733121639 /nfs/dbraw/zinc/12/16/39/733121639.db2.gz FAOZHHIVRPHUDE-LSDHHAIUSA-N 1 1 330.388 0.200 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(C(N)=O)cn3)[C@H]2C1 ZINC001083199489 733121640 /nfs/dbraw/zinc/12/16/40/733121640.db2.gz FAOZHHIVRPHUDE-LSDHHAIUSA-N 1 1 330.388 0.200 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)CNc2ccnc(C#N)n2)CC[N@H+]1C ZINC001104249502 733158003 /nfs/dbraw/zinc/15/80/03/733158003.db2.gz SKBVQDCAZDGYMQ-MELADBBJSA-N 1 1 330.436 0.665 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)s3)C2)nn1 ZINC000970205259 733198538 /nfs/dbraw/zinc/19/85/38/733198538.db2.gz GBKNVBLPTOPPRZ-LLVKDONJSA-N 1 1 333.421 0.628 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCCNC3=O)C2)cc1 ZINC000970254859 733261942 /nfs/dbraw/zinc/26/19/42/733261942.db2.gz DJZHQKXDSZYLFZ-GUYCJALGSA-N 1 1 325.412 0.997 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970353927 733403865 /nfs/dbraw/zinc/40/38/65/733403865.db2.gz ISGLBARFFYVYTE-BMIGLBTASA-N 1 1 345.378 0.315 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC001041855833 782345853 /nfs/dbraw/zinc/34/58/53/782345853.db2.gz PZSRAESBKMSVND-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnn(C)n2)cn1 ZINC001025142435 738713887 /nfs/dbraw/zinc/71/38/87/738713887.db2.gz WXJLAMIVILEOPY-QGZVFWFLSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)C[C@@H](C)OC)CC2)cn1 ZINC001098536905 733490747 /nfs/dbraw/zinc/49/07/47/733490747.db2.gz SRQVZFLVGZTZSM-OAHLLOKOSA-N 1 1 345.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(OC)ncnc3OC)C2)C1 ZINC001041856706 782349640 /nfs/dbraw/zinc/34/96/40/782349640.db2.gz LLLGANZHFXNONC-QGZVFWFLSA-N 1 1 330.388 0.665 20 30 ECEDMO Cc1cc(NC[C@H](C)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001104270352 733538485 /nfs/dbraw/zinc/53/84/85/733538485.db2.gz WNCFDNFOQARRPT-DXCKQFNASA-N 1 1 345.447 0.567 20 30 ECEDMO Cc1cc(NC[C@H](C)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001104270352 733538489 /nfs/dbraw/zinc/53/84/89/733538489.db2.gz WNCFDNFOQARRPT-DXCKQFNASA-N 1 1 345.447 0.567 20 30 ECEDMO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001104274219 733563145 /nfs/dbraw/zinc/56/31/45/733563145.db2.gz ILMDSXNQARQIKI-HUUCEWRRSA-N 1 1 345.447 0.166 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000970511667 733630645 /nfs/dbraw/zinc/63/06/45/733630645.db2.gz OROUINXASHSEAF-CYBMUJFWSA-N 1 1 340.387 0.226 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)cn1 ZINC000970520463 733640369 /nfs/dbraw/zinc/64/03/69/733640369.db2.gz YAXZQYIJFNHBHP-CQSZACIVSA-N 1 1 337.387 0.389 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)cn1 ZINC000970520524 733640410 /nfs/dbraw/zinc/64/04/10/733640410.db2.gz ZXVCPJTXEGZVGL-SMDDNHRTSA-N 1 1 325.376 0.152 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3nccnc3C)C2)nn1 ZINC000970543976 733660558 /nfs/dbraw/zinc/66/05/58/733660558.db2.gz DUQWIZQFAAAMIT-GFCCVEGCSA-N 1 1 341.419 0.813 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970758799 733918741 /nfs/dbraw/zinc/91/87/41/733918741.db2.gz ADCQUSWRPPNTBC-DOMZBBRYSA-N 1 1 342.399 0.032 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970762409 733919661 /nfs/dbraw/zinc/91/96/61/733919661.db2.gz DINGPHOZNMOBRS-WBMJQRKESA-N 1 1 326.400 0.773 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125419390 733974772 /nfs/dbraw/zinc/97/47/72/733974772.db2.gz AWZIMAXVAIRLMY-CYBMUJFWSA-N 1 1 336.440 0.256 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccn(C)n3)C2)C1=O ZINC000970882098 734039646 /nfs/dbraw/zinc/03/96/46/734039646.db2.gz DPNRQESOZAXUDU-WFASDCNBSA-N 1 1 331.420 0.257 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)C[C@H](NC(=O)C(N)=O)c1ccccc1O2 ZINC001098544371 734094045 /nfs/dbraw/zinc/09/40/45/734094045.db2.gz KPEOEZMSEVNFDH-KSSFIOAISA-N 1 1 327.384 0.580 20 30 ECEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)C1CCC1)C2 ZINC001111513960 734119118 /nfs/dbraw/zinc/11/91/18/734119118.db2.gz LDYFKTPCLNLSFV-SVGFKBNWSA-N 1 1 347.459 0.663 20 30 ECEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)C1CCC1)C2 ZINC001111513960 734119120 /nfs/dbraw/zinc/11/91/20/734119120.db2.gz LDYFKTPCLNLSFV-SVGFKBNWSA-N 1 1 347.459 0.663 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CNc3cncc(C#N)n3)CC2)C1 ZINC001067476711 734193529 /nfs/dbraw/zinc/19/35/29/734193529.db2.gz BPQFVKRZXPOKPR-ZDUSSCGKSA-N 1 1 344.419 0.065 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2cnnn2)C1 ZINC001078163216 782407231 /nfs/dbraw/zinc/40/72/31/782407231.db2.gz BNJZENFJTRTNRQ-GDBMZVCRSA-N 1 1 342.403 0.403 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(C4CC4)n3)[C@H]2C1 ZINC001083211107 734223375 /nfs/dbraw/zinc/22/33/75/734223375.db2.gz JVKAZDVHRPDMDH-JKSUJKDBSA-N 1 1 326.400 0.903 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(C4CC4)n3)[C@H]2C1 ZINC001083211107 734223378 /nfs/dbraw/zinc/22/33/78/734223378.db2.gz JVKAZDVHRPDMDH-JKSUJKDBSA-N 1 1 326.400 0.903 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 ZINC001104318997 734286700 /nfs/dbraw/zinc/28/67/00/734286700.db2.gz YENBNGSGPCSSCD-ZDUSSCGKSA-N 1 1 332.408 0.010 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(c3nccnc3C#N)CCO2)C1 ZINC001104321677 734296658 /nfs/dbraw/zinc/29/66/58/734296658.db2.gz LPVIZVVJCKZAIN-KGLIPLIRSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(c3ccc(C#N)nc3)CCO2)C1 ZINC001104322149 734299630 /nfs/dbraw/zinc/29/96/30/734299630.db2.gz WKMJUULAIYZOEB-YOEHRIQHSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)C1=O ZINC000971167363 734332123 /nfs/dbraw/zinc/33/21/23/734332123.db2.gz ROKYNWRQTIXFMM-GDBMZVCRSA-N 1 1 345.447 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3cnn(C)c3)C2)C1=O ZINC000971197635 734353504 /nfs/dbraw/zinc/35/35/04/734353504.db2.gz KWXYHMFYNSIOTD-HOTGVXAUSA-N 1 1 345.447 0.282 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cnn(CC)c3)C2)C1=O ZINC000971225700 734375244 /nfs/dbraw/zinc/37/52/44/734375244.db2.gz CNJGNLVEYRPXLO-CVEARBPZSA-N 1 1 345.447 0.836 20 30 ECEDMO CN1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)C1 ZINC000971270103 734412920 /nfs/dbraw/zinc/41/29/20/734412920.db2.gz DIAGBUSYDQMCGM-ZWKOTPCHSA-N 1 1 342.443 0.922 20 30 ECEDMO CN1CCC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000971288411 734421423 /nfs/dbraw/zinc/42/14/23/734421423.db2.gz IXOQTPKMHDEXFK-HIFRSBDPSA-N 1 1 329.404 0.653 20 30 ECEDMO CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000971289474 734422906 /nfs/dbraw/zinc/42/29/06/734422906.db2.gz SOZSVPXNELGLAA-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025212814 738813547 /nfs/dbraw/zinc/81/35/47/738813547.db2.gz ZYIVOVJOYGBDCX-HUUCEWRRSA-N 1 1 326.462 0.900 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025212814 738813553 /nfs/dbraw/zinc/81/35/53/738813553.db2.gz ZYIVOVJOYGBDCX-HUUCEWRRSA-N 1 1 326.462 0.900 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2c(C)nn(C)c2F)CC1 ZINC001098550213 734443840 /nfs/dbraw/zinc/44/38/40/734443840.db2.gz BFNYFBACLOEHTC-UHFFFAOYSA-N 1 1 336.411 0.790 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 ZINC001098550297 734448607 /nfs/dbraw/zinc/44/86/07/734448607.db2.gz GBFWZTPCVNSTRF-INIZCTEOSA-N 1 1 335.448 0.306 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000971376222 734488005 /nfs/dbraw/zinc/48/80/05/734488005.db2.gz JDKUYQYEILISSJ-JKSUJKDBSA-N 1 1 341.415 0.820 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3coc(C)n3)C2)C1=O ZINC000971396856 734515894 /nfs/dbraw/zinc/51/58/94/734515894.db2.gz AQCQDJANUBLONU-UKRRQHHQSA-N 1 1 332.404 0.916 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104350482 734527482 /nfs/dbraw/zinc/52/74/82/734527482.db2.gz XXHZZKUQFBOOLJ-ZBFHGGJFSA-N 1 1 343.431 0.759 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2ncccc2C#N)CCO1 ZINC001104350434 734527623 /nfs/dbraw/zinc/52/76/23/734527623.db2.gz WUDWKXIXDWHVTA-GOEBONIOSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC000973149664 738829148 /nfs/dbraw/zinc/82/91/48/738829148.db2.gz FLCDWWQIUWFXLY-DZKIICNBSA-N 1 1 328.416 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC000973149664 738829152 /nfs/dbraw/zinc/82/91/52/738829152.db2.gz FLCDWWQIUWFXLY-DZKIICNBSA-N 1 1 328.416 0.798 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078174183 782426492 /nfs/dbraw/zinc/42/64/92/782426492.db2.gz DFXDZLJUDVKCKI-RCCFBDPRSA-N 1 1 327.428 0.151 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078174802 782429912 /nfs/dbraw/zinc/42/99/12/782429912.db2.gz SYOMXENXTHWWPR-DJIMGWMZSA-N 1 1 346.406 0.310 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000971525436 734712296 /nfs/dbraw/zinc/71/22/96/734712296.db2.gz PBYVPQCDNOKHPQ-KBPBESRZSA-N 1 1 331.420 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nc(CC)no2)C1 ZINC000971703614 734964892 /nfs/dbraw/zinc/96/48/92/734964892.db2.gz JHSXHTZMLBBEDU-CABCVRRESA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nc(CC)no2)C1 ZINC000971703614 734964893 /nfs/dbraw/zinc/96/48/93/734964893.db2.gz JHSXHTZMLBBEDU-CABCVRRESA-N 1 1 345.447 0.762 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001025237028 738890735 /nfs/dbraw/zinc/89/07/35/738890735.db2.gz XCRUXVCANZLPTD-KGLIPLIRSA-N 1 1 346.435 0.409 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3c[nH]nc3CC)C2)C1=O ZINC000971849643 735234498 /nfs/dbraw/zinc/23/44/98/735234498.db2.gz ZWSVLZMCICEWBI-CZUORRHYSA-N 1 1 345.447 0.905 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC001098558554 735263680 /nfs/dbraw/zinc/26/36/80/735263680.db2.gz JVWTVAUOBNNHBR-UHFFFAOYSA-N 1 1 341.415 0.880 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001098558554 735263681 /nfs/dbraw/zinc/26/36/81/735263681.db2.gz JVWTVAUOBNNHBR-UHFFFAOYSA-N 1 1 341.415 0.880 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001098558554 735263682 /nfs/dbraw/zinc/26/36/82/735263682.db2.gz JVWTVAUOBNNHBR-UHFFFAOYSA-N 1 1 341.415 0.880 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001098558799 735276173 /nfs/dbraw/zinc/27/61/73/735276173.db2.gz ZLQJPQAOFIKFSW-UHFFFAOYSA-N 1 1 343.427 0.708 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]nc3C)C2)C1=O ZINC000972053858 735584058 /nfs/dbraw/zinc/58/40/58/735584058.db2.gz WKLWVACWSFXIST-ZFWWWQNUSA-N 1 1 331.420 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000972074267 735613932 /nfs/dbraw/zinc/61/39/32/735613932.db2.gz XJCYKGDCIHAFHV-FGTMMUONSA-N 1 1 339.439 0.557 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000972074267 735613934 /nfs/dbraw/zinc/61/39/34/735613934.db2.gz XJCYKGDCIHAFHV-FGTMMUONSA-N 1 1 339.439 0.557 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972079240 735620535 /nfs/dbraw/zinc/62/05/35/735620535.db2.gz MZVFSCDLTCZVQO-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972079240 735620539 /nfs/dbraw/zinc/62/05/39/735620539.db2.gz MZVFSCDLTCZVQO-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H]3CC)[C@H]2C1 ZINC001083241439 735642948 /nfs/dbraw/zinc/64/29/48/735642948.db2.gz GTAFMIVQIYYIGW-OWCLPIDISA-N 1 1 335.448 0.875 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4c3CCCC4)[C@H]2C1 ZINC001083241562 735643783 /nfs/dbraw/zinc/64/37/83/735643783.db2.gz NIXGVAXAOFFYPP-DLBZAZTESA-N 1 1 328.416 0.768 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001006398837 751349605 /nfs/dbraw/zinc/34/96/05/751349605.db2.gz GDYVHBVTFFBHOB-WBVHZDCISA-N 1 1 348.491 0.648 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001006398837 751349609 /nfs/dbraw/zinc/34/96/09/751349609.db2.gz GDYVHBVTFFBHOB-WBVHZDCISA-N 1 1 348.491 0.648 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000972111944 735655394 /nfs/dbraw/zinc/65/53/94/735655394.db2.gz JBJBOKNASHSVJK-CYBMUJFWSA-N 1 1 343.366 0.567 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC001098563881 735659484 /nfs/dbraw/zinc/65/94/84/735659484.db2.gz AWJGHUASCJTZDG-UHFFFAOYSA-N 1 1 334.420 0.589 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CS(=O)(=O)CCC)CC1 ZINC001098563861 735660051 /nfs/dbraw/zinc/66/00/51/735660051.db2.gz AAKLITZRQCAJGS-UHFFFAOYSA-N 1 1 344.477 0.120 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)CCC)CC1 ZINC001098563861 735660053 /nfs/dbraw/zinc/66/00/53/735660053.db2.gz AAKLITZRQCAJGS-UHFFFAOYSA-N 1 1 344.477 0.120 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)CNC(=O)[C@@H](C)CC)CC1 ZINC001098564026 735664299 /nfs/dbraw/zinc/66/42/99/735664299.db2.gz JRQSBDFOKHKPQT-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CCN2CCCC2=O)CC1 ZINC001098564148 735672836 /nfs/dbraw/zinc/67/28/36/735672836.db2.gz OPRLUVHQJJCVHQ-UHFFFAOYSA-N 1 1 335.448 0.308 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cn([C@@H]4CCOC4)nn3)[C@H]2C1 ZINC001083242883 735673253 /nfs/dbraw/zinc/67/32/53/735673253.db2.gz CYRVGNUEGZAHLD-VNQPRFMTSA-N 1 1 347.419 0.341 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cn([C@@H]4CCOC4)nn3)[C@H]2C1 ZINC001083242883 735673256 /nfs/dbraw/zinc/67/32/56/735673256.db2.gz CYRVGNUEGZAHLD-VNQPRFMTSA-N 1 1 347.419 0.341 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)C(C)C)CC1 ZINC001098564328 735684854 /nfs/dbraw/zinc/68/48/54/735684854.db2.gz XKVVSWHPWHNRGA-UHFFFAOYSA-N 1 1 344.477 0.118 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CS(=O)(=O)C(C)C)CC1 ZINC001098564328 735684856 /nfs/dbraw/zinc/68/48/56/735684856.db2.gz XKVVSWHPWHNRGA-UHFFFAOYSA-N 1 1 344.477 0.118 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)no2)C1 ZINC001111587852 735774697 /nfs/dbraw/zinc/77/46/97/735774697.db2.gz LUZNUIZWOITTPC-GUYCJALGSA-N 1 1 332.404 0.870 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)no2)C1 ZINC001111587852 735774700 /nfs/dbraw/zinc/77/47/00/735774700.db2.gz LUZNUIZWOITTPC-GUYCJALGSA-N 1 1 332.404 0.870 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3conc3C)C2)C1=O ZINC000972222412 735807366 /nfs/dbraw/zinc/80/73/66/735807366.db2.gz NAYWFEAFKSJNHG-HIFRSBDPSA-N 1 1 332.404 0.916 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCOCC2)C1 ZINC000972246686 735835262 /nfs/dbraw/zinc/83/52/62/735835262.db2.gz QNZBZTUPXZYKDQ-CRAIPNDOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCOCC2)C1 ZINC000972246686 735835266 /nfs/dbraw/zinc/83/52/66/735835266.db2.gz QNZBZTUPXZYKDQ-CRAIPNDOSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001098566802 735858957 /nfs/dbraw/zinc/85/89/57/735858957.db2.gz PCPSRKBAMVWPGV-KRWDZBQOSA-N 1 1 337.464 0.016 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)N3CCCC3=O)[C@H]2C1 ZINC001083246466 735895049 /nfs/dbraw/zinc/89/50/49/735895049.db2.gz SDZXTDCNJKLCSD-OWCLPIDISA-N 1 1 335.448 0.875 20 30 ECEDMO CCn1cc(CC[N@@H+]2CCO[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)cn1 ZINC000972297645 735907144 /nfs/dbraw/zinc/90/71/44/735907144.db2.gz KPJWWGQIHCMGDP-CRAIPNDOSA-N 1 1 345.447 0.908 20 30 ECEDMO CCn1cc(CC[N@H+]2CCO[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)cn1 ZINC000972297645 735907147 /nfs/dbraw/zinc/90/71/47/735907147.db2.gz KPJWWGQIHCMGDP-CRAIPNDOSA-N 1 1 345.447 0.908 20 30 ECEDMO C=C(Cl)CN1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972317446 735936945 /nfs/dbraw/zinc/93/69/45/735936945.db2.gz VPNMVQFBRWLFJU-GOEBONIOSA-N 1 1 343.855 0.373 20 30 ECEDMO C=C(Cl)CN1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972317446 735936948 /nfs/dbraw/zinc/93/69/48/735936948.db2.gz VPNMVQFBRWLFJU-GOEBONIOSA-N 1 1 343.855 0.373 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 ZINC000972386240 736055259 /nfs/dbraw/zinc/05/52/59/736055259.db2.gz ALVVGMIFHVETNV-IIDMSEBBSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 ZINC000972386240 736055262 /nfs/dbraw/zinc/05/52/62/736055262.db2.gz ALVVGMIFHVETNV-IIDMSEBBSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccnn3C)C2)C1 ZINC000972386239 736055739 /nfs/dbraw/zinc/05/57/39/736055739.db2.gz ALOKIYHWJBQOQG-YJBOKZPZSA-N 1 1 330.432 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccnn3C)C2)C1 ZINC000972386239 736055743 /nfs/dbraw/zinc/05/57/43/736055743.db2.gz ALOKIYHWJBQOQG-YJBOKZPZSA-N 1 1 330.432 0.850 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)C(C)(C)NC(=O)NC)CC1 ZINC001098570714 736125324 /nfs/dbraw/zinc/12/53/24/736125324.db2.gz GUMZXARUQRKWHF-UHFFFAOYSA-N 1 1 338.452 0.003 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972410303 736143588 /nfs/dbraw/zinc/14/35/88/736143588.db2.gz ULDCPBXEEPPTLY-KSSFIOAISA-N 1 1 349.431 0.403 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972413466 736148886 /nfs/dbraw/zinc/14/88/86/736148886.db2.gz KFOJNMZZACDFED-KRWDZBQOSA-N 1 1 340.387 0.293 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972413466 736148890 /nfs/dbraw/zinc/14/88/90/736148890.db2.gz KFOJNMZZACDFED-KRWDZBQOSA-N 1 1 340.387 0.293 20 30 ECEDMO CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972430141 736182418 /nfs/dbraw/zinc/18/24/18/736182418.db2.gz ANVCAXHZJSMKSH-JFIYKMOQSA-N 1 1 335.448 0.032 20 30 ECEDMO CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972430141 736182419 /nfs/dbraw/zinc/18/24/19/736182419.db2.gz ANVCAXHZJSMKSH-JFIYKMOQSA-N 1 1 335.448 0.032 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972437865 736193863 /nfs/dbraw/zinc/19/38/63/736193863.db2.gz MIGWPUPWPAETQL-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4cncn4C3)C2)C1 ZINC000972441858 736204493 /nfs/dbraw/zinc/20/44/93/736204493.db2.gz VZKINNCWEPFELN-APWZRJJASA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4cncn4C3)C2)C1 ZINC000972441858 736204495 /nfs/dbraw/zinc/20/44/95/736204495.db2.gz VZKINNCWEPFELN-APWZRJJASA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972456026 736245046 /nfs/dbraw/zinc/24/50/46/736245046.db2.gz PXWBCOYGAGPNKY-MAUKXSAKSA-N 1 1 348.447 0.104 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972456026 736245048 /nfs/dbraw/zinc/24/50/48/736245048.db2.gz PXWBCOYGAGPNKY-MAUKXSAKSA-N 1 1 348.447 0.104 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972463780 736260990 /nfs/dbraw/zinc/26/09/90/736260990.db2.gz XHKCTERLDJVANE-QGZVFWFLSA-N 1 1 340.387 0.065 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972463780 736260995 /nfs/dbraw/zinc/26/09/95/736260995.db2.gz XHKCTERLDJVANE-QGZVFWFLSA-N 1 1 340.387 0.065 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972464014 736263205 /nfs/dbraw/zinc/26/32/05/736263205.db2.gz ZVOXPMHRJLQVRQ-KRWDZBQOSA-N 1 1 342.403 0.617 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972464014 736263209 /nfs/dbraw/zinc/26/32/09/736263209.db2.gz ZVOXPMHRJLQVRQ-KRWDZBQOSA-N 1 1 342.403 0.617 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3cn[nH]c3)C2)C1=O ZINC000972511356 736493923 /nfs/dbraw/zinc/49/39/23/736493923.db2.gz WCURYHAWSHFTAR-HZPDHXFCSA-N 1 1 345.447 0.662 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000972526969 736582389 /nfs/dbraw/zinc/58/23/89/736582389.db2.gz NSQSOLXZSGUWSK-VXGBXAGGSA-N 1 1 335.857 0.306 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000972526969 736582391 /nfs/dbraw/zinc/58/23/91/736582391.db2.gz NSQSOLXZSGUWSK-VXGBXAGGSA-N 1 1 335.857 0.306 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3cnn(C)c3)C2)C1=O ZINC001023223179 736598741 /nfs/dbraw/zinc/59/87/41/736598741.db2.gz JAJAJZDCNAYOKF-ZBFHGGJFSA-N 1 1 345.447 0.649 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001023296424 736655958 /nfs/dbraw/zinc/65/59/58/736655958.db2.gz XACLUBCBJKHJLZ-BXUZGUMPSA-N 1 1 343.387 0.133 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972549733 736683423 /nfs/dbraw/zinc/68/34/23/736683423.db2.gz RNDQDSWDEPJPTG-QGZVFWFLSA-N 1 1 331.372 0.319 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972549733 736683428 /nfs/dbraw/zinc/68/34/28/736683428.db2.gz RNDQDSWDEPJPTG-QGZVFWFLSA-N 1 1 331.372 0.319 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3n[nH]cc3C)C2)C1=O ZINC001023358783 736733042 /nfs/dbraw/zinc/73/30/42/736733042.db2.gz PGIOMOGAOXGDAE-CABCVRRESA-N 1 1 345.447 0.947 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001023412512 736796300 /nfs/dbraw/zinc/79/63/00/736796300.db2.gz RHHQEUAMOZRNQQ-LBPRGKRZSA-N 1 1 327.388 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ncnn2C)C1 ZINC001023423618 736806180 /nfs/dbraw/zinc/80/61/80/736806180.db2.gz AWSRVHDQPNAMRO-CVEARBPZSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ncnn2C)C1 ZINC001023423618 736806181 /nfs/dbraw/zinc/80/61/81/736806181.db2.gz AWSRVHDQPNAMRO-CVEARBPZSA-N 1 1 344.463 0.241 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC000972564396 736813866 /nfs/dbraw/zinc/81/38/66/736813866.db2.gz FNUFJMJRHCHIBH-LSDHHAIUSA-N 1 1 345.447 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2-n2cnnn2)C1 ZINC001023457287 736860034 /nfs/dbraw/zinc/86/00/34/736860034.db2.gz MAUVUBMGTSATHU-LBPRGKRZSA-N 1 1 330.417 0.799 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CCC([N@@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098577256 736888795 /nfs/dbraw/zinc/88/87/95/736888795.db2.gz GPOZTRKTRHFNFC-CVEARBPZSA-N 1 1 340.464 0.899 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)COC3CCOCC3)C2)C1 ZINC000972584042 736954897 /nfs/dbraw/zinc/95/48/97/736954897.db2.gz YTOSDXPVSHOWJI-SFHVURJKSA-N 1 1 336.432 0.509 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)COC3CCOCC3)C2)C1 ZINC000972584042 736954900 /nfs/dbraw/zinc/95/49/00/736954900.db2.gz YTOSDXPVSHOWJI-SFHVURJKSA-N 1 1 336.432 0.509 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3[nH]nnc3C)C2)C1=O ZINC001023524240 736959953 /nfs/dbraw/zinc/95/99/53/736959953.db2.gz ZMNKFAKLZSJUAK-KGLIPLIRSA-N 1 1 346.435 0.342 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001023565610 737018439 /nfs/dbraw/zinc/01/84/39/737018439.db2.gz BKZDNKIJTRUTOC-CJNGLKHVSA-N 1 1 341.415 0.568 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001023583221 737039378 /nfs/dbraw/zinc/03/93/78/737039378.db2.gz BJABYCKINSLENL-GDBMZVCRSA-N 1 1 326.400 0.393 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CC4CC4)nn3)C2)C1 ZINC000972616612 737103918 /nfs/dbraw/zinc/10/39/18/737103918.db2.gz BQCMJMYCTBVQKK-SFHVURJKSA-N 1 1 343.431 0.628 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CC4CC4)nn3)C2)C1 ZINC000972616612 737103921 /nfs/dbraw/zinc/10/39/21/737103921.db2.gz BQCMJMYCTBVQKK-SFHVURJKSA-N 1 1 343.431 0.628 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001023626435 737111358 /nfs/dbraw/zinc/11/13/58/737111358.db2.gz ZFQBPCHUAJZEAA-CYBMUJFWSA-N 1 1 334.420 0.102 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CCn3cccn3)C2)nn1 ZINC001023637372 737123624 /nfs/dbraw/zinc/12/36/24/737123624.db2.gz JVRRPEORONDMOZ-HNNXBMFYSA-N 1 1 343.435 0.803 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001023641248 737129415 /nfs/dbraw/zinc/12/94/15/737129415.db2.gz WSSKIHZAVLAQCJ-POZPTJLLSA-N 1 1 334.420 0.379 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972628246 737152977 /nfs/dbraw/zinc/15/29/77/737152977.db2.gz PKKGKUKPIZLWSC-MAUKXSAKSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972628246 737152982 /nfs/dbraw/zinc/15/29/82/737152982.db2.gz PKKGKUKPIZLWSC-MAUKXSAKSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001023675355 737184259 /nfs/dbraw/zinc/18/42/59/737184259.db2.gz XVFYBZCRNWAKPY-CABCVRRESA-N 1 1 333.436 0.942 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CCS(C)(=O)=O)C2)cn1 ZINC001023711422 737219830 /nfs/dbraw/zinc/21/98/30/737219830.db2.gz ZLPVQNIWDGUNTF-CQSZACIVSA-N 1 1 349.456 0.549 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CCS(C)(=O)=O)C2)cn1 ZINC001023711422 737219832 /nfs/dbraw/zinc/21/98/32/737219832.db2.gz ZLPVQNIWDGUNTF-CQSZACIVSA-N 1 1 349.456 0.549 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023704330 737220352 /nfs/dbraw/zinc/22/03/52/737220352.db2.gz JYFQUSFLZWSWRM-RBSFLKMASA-N 1 1 337.464 0.759 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972655010 737262424 /nfs/dbraw/zinc/26/24/24/737262424.db2.gz ZUFWDLADBOCFSE-APWZRJJASA-N 1 1 347.459 0.762 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972655010 737262427 /nfs/dbraw/zinc/26/24/27/737262427.db2.gz ZUFWDLADBOCFSE-APWZRJJASA-N 1 1 347.459 0.762 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1 ZINC000972667937 737307180 /nfs/dbraw/zinc/30/71/80/737307180.db2.gz SOCSEYBOTNXFJR-IBGZPJMESA-N 1 1 347.459 0.716 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1 ZINC000972667937 737307181 /nfs/dbraw/zinc/30/71/81/737307181.db2.gz SOCSEYBOTNXFJR-IBGZPJMESA-N 1 1 347.459 0.716 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCN(C(C)=O)CC3)C2)C1 ZINC000972668699 737311272 /nfs/dbraw/zinc/31/12/72/737311272.db2.gz BKMBZGPHVNNEGL-IBGZPJMESA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCN(C(C)=O)CC3)C2)C1 ZINC000972668699 737311274 /nfs/dbraw/zinc/31/12/74/737311274.db2.gz BKMBZGPHVNNEGL-IBGZPJMESA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN([C@@H]3CCNC3=O)C2)CC1 ZINC001023761919 737326506 /nfs/dbraw/zinc/32/65/06/737326506.db2.gz MQCSYELHCRKSGI-DOTOQJQBSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN(CC(=O)N(C)C)C2)CC1 ZINC001023762484 737327300 /nfs/dbraw/zinc/32/73/00/737327300.db2.gz XYNDIGQTHYKZOA-MRXNPFEDSA-N 1 1 348.491 0.248 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972674411 737345340 /nfs/dbraw/zinc/34/53/40/737345340.db2.gz PFQITXQEODQMOA-SFHVURJKSA-N 1 1 346.431 0.997 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001023801575 737411835 /nfs/dbraw/zinc/41/18/35/737411835.db2.gz XAJBRGDQTRCLGN-ZIAGYGMSSA-N 1 1 332.404 0.236 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001023941259 737499433 /nfs/dbraw/zinc/49/94/33/737499433.db2.gz JQSKVASRKITMAT-NSHDSACASA-N 1 1 328.380 0.052 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001023944185 737505103 /nfs/dbraw/zinc/50/51/03/737505103.db2.gz JMYHIIIETNHBAS-NSHDSACASA-N 1 1 328.380 0.052 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972707954 737518665 /nfs/dbraw/zinc/51/86/65/737518665.db2.gz MXUDHKWZNYFFCB-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)nc1 ZINC000972750793 737592014 /nfs/dbraw/zinc/59/20/14/737592014.db2.gz DPIBMGJIWGWIMH-HNNXBMFYSA-N 1 1 326.400 0.442 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)nc1 ZINC000972750793 737592015 /nfs/dbraw/zinc/59/20/15/737592015.db2.gz DPIBMGJIWGWIMH-HNNXBMFYSA-N 1 1 326.400 0.442 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001114944077 737789002 /nfs/dbraw/zinc/78/90/02/737789002.db2.gz CRIVUXFTKLYADX-MNZLEMJZSA-N 1 1 325.412 0.563 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001024195807 737818052 /nfs/dbraw/zinc/81/80/52/737818052.db2.gz HEYYPDRNFSUTBK-DZKIICNBSA-N 1 1 348.451 0.520 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC001024321649 737890253 /nfs/dbraw/zinc/89/02/53/737890253.db2.gz IZFJTGICZMSVTF-HZPDHXFCSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC001024321649 737890258 /nfs/dbraw/zinc/89/02/58/737890258.db2.gz IZFJTGICZMSVTF-HZPDHXFCSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2OC)[C@@H](n2ccnn2)C1 ZINC001069995946 790291629 /nfs/dbraw/zinc/29/16/29/790291629.db2.gz HXYPWBVOHQXVPG-KGLIPLIRSA-N 1 1 345.407 0.252 20 30 ECEDMO CC1(C)[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]2CCC[N@@H+](CC(N)=O)[C@H]21 ZINC001087282432 738099359 /nfs/dbraw/zinc/09/93/59/738099359.db2.gz YORZDPAIIYXMQP-KCPJHIHWSA-N 1 1 329.404 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccn4nnnc34)C(C)(C)[C@H]21 ZINC001087288150 738120119 /nfs/dbraw/zinc/12/01/19/738120119.db2.gz SAZXUHVHRIJINR-YUELXQCFSA-N 1 1 338.415 0.976 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001024575775 738122476 /nfs/dbraw/zinc/12/24/76/738122476.db2.gz NKXACCHEGMKJBQ-GJZGRUSLSA-N 1 1 343.418 0.946 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001024576024 738122655 /nfs/dbraw/zinc/12/26/55/738122655.db2.gz ORSPDCIQQSENFZ-CQSZACIVSA-N 1 1 339.403 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC001087291046 738131956 /nfs/dbraw/zinc/13/19/56/738131956.db2.gz NGRQLOVVMUVIKE-UHOFOFEASA-N 1 1 328.416 0.632 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ccc(=O)[nH]c3=O)C(C)(C)[C@@H]21 ZINC001087294120 738135544 /nfs/dbraw/zinc/13/55/44/738135544.db2.gz OFDKXMDYYGPJTR-DAXOMENPSA-N 1 1 344.415 0.187 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@H]21 ZINC001087298406 738157361 /nfs/dbraw/zinc/15/73/61/738157361.db2.gz FPLZASXLZNQFRS-OLMNPRSZSA-N 1 1 346.475 0.047 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC(N)=O)[C@H]3C2(C)C)c1 ZINC001087303792 738190502 /nfs/dbraw/zinc/19/05/02/738190502.db2.gz RTTQIRGJSAGXDY-DJIMGWMZSA-N 1 1 340.427 0.767 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CC(N)=O)[C@H]3C2(C)C)c1 ZINC001087303792 738190504 /nfs/dbraw/zinc/19/05/04/738190504.db2.gz RTTQIRGJSAGXDY-DJIMGWMZSA-N 1 1 340.427 0.767 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC(N)=O)[C@H]3C2(C)C)nn1 ZINC001087306002 738203579 /nfs/dbraw/zinc/20/35/79/738203579.db2.gz BRYAUYWLSUQAKN-KCPJHIHWSA-N 1 1 346.435 0.168 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CC(N)=O)[C@H]3C2(C)C)nn1 ZINC001087306002 738203586 /nfs/dbraw/zinc/20/35/86/738203586.db2.gz BRYAUYWLSUQAKN-KCPJHIHWSA-N 1 1 346.435 0.168 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001024663812 738209122 /nfs/dbraw/zinc/20/91/22/738209122.db2.gz MDIHTGMPSPFEQN-LSDHHAIUSA-N 1 1 330.436 0.620 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001024704163 738231105 /nfs/dbraw/zinc/23/11/05/738231105.db2.gz HSMFFJITVHTBEK-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001024746287 738264602 /nfs/dbraw/zinc/26/46/02/738264602.db2.gz CPLBVLCJMDRLNE-GJZGRUSLSA-N 1 1 331.420 0.847 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001024746287 738264603 /nfs/dbraw/zinc/26/46/03/738264603.db2.gz CPLBVLCJMDRLNE-GJZGRUSLSA-N 1 1 331.420 0.847 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@H]21 ZINC001087318581 738284832 /nfs/dbraw/zinc/28/48/32/738284832.db2.gz ZRCIRQLWMVSNIH-WQVCFCJDSA-N 1 1 346.431 0.167 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001024779829 738287116 /nfs/dbraw/zinc/28/71/16/738287116.db2.gz VXRKXQGVGGSRAQ-USXIJHARSA-N 1 1 349.475 0.763 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C(C)(C)[C@@H]21 ZINC001087318014 738289432 /nfs/dbraw/zinc/28/94/32/738289432.db2.gz PTESZZCLBSBFOK-DAXOMENPSA-N 1 1 348.447 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001024814179 738314071 /nfs/dbraw/zinc/31/40/71/738314071.db2.gz PAKOLYCVHFKFRD-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccnn2CC)C1 ZINC000973204498 738910847 /nfs/dbraw/zinc/91/08/47/738910847.db2.gz HKSQYHUOAHCLSZ-KKUMJFAQSA-N 1 1 343.431 0.378 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccnn2CC)C1 ZINC000973204498 738910849 /nfs/dbraw/zinc/91/08/49/738910849.db2.gz HKSQYHUOAHCLSZ-KKUMJFAQSA-N 1 1 343.431 0.378 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025275806 738999640 /nfs/dbraw/zinc/99/96/40/738999640.db2.gz CEFBXIJIWRGQFG-ZIAGYGMSSA-N 1 1 334.420 0.570 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ncccc2C#N)C1 ZINC001104579109 739012191 /nfs/dbraw/zinc/01/21/91/739012191.db2.gz KIIZPJBNCBREBS-HIFRSBDPSA-N 1 1 331.420 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNc2ncccc2C#N)C1 ZINC001104579109 739012196 /nfs/dbraw/zinc/01/21/96/739012196.db2.gz KIIZPJBNCBREBS-HIFRSBDPSA-N 1 1 331.420 0.933 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000973295407 739060008 /nfs/dbraw/zinc/06/00/08/739060008.db2.gz JWOBFCXYMHTAOF-BRWVUGGUSA-N 1 1 325.412 0.997 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000973295741 739060976 /nfs/dbraw/zinc/06/09/76/739060976.db2.gz OSUGUPDASXVYAF-MGPQQGTHSA-N 1 1 346.435 0.183 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)[C@H]2C1 ZINC001083279932 739112828 /nfs/dbraw/zinc/11/28/28/739112828.db2.gz WAAXVLZECDUIQS-XOKHGSTOSA-N 1 1 328.416 0.450 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)[C@H]2C1 ZINC001083279932 739112833 /nfs/dbraw/zinc/11/28/33/739112833.db2.gz WAAXVLZECDUIQS-XOKHGSTOSA-N 1 1 328.416 0.450 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2cnon2)C1 ZINC001059848055 751417221 /nfs/dbraw/zinc/41/72/21/751417221.db2.gz YOTLAKMQCPPXRD-HIFRSBDPSA-N 1 1 345.403 0.136 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2cnon2)C1 ZINC001059848055 751417226 /nfs/dbraw/zinc/41/72/26/751417226.db2.gz YOTLAKMQCPPXRD-HIFRSBDPSA-N 1 1 345.403 0.136 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)N(C)C)nn1 ZINC001028187170 751418144 /nfs/dbraw/zinc/41/81/44/751418144.db2.gz DRBTWGWCYCWIFG-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C)nn1 ZINC001028187170 751418146 /nfs/dbraw/zinc/41/81/46/751418146.db2.gz DRBTWGWCYCWIFG-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000973410779 739224162 /nfs/dbraw/zinc/22/41/62/739224162.db2.gz OHHQYCGTJUIJDT-MTSZKFMLSA-N 1 1 345.443 0.439 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000973410779 739224166 /nfs/dbraw/zinc/22/41/66/739224166.db2.gz OHHQYCGTJUIJDT-MTSZKFMLSA-N 1 1 345.443 0.439 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](CC)C(N)=O)nn1 ZINC001028192979 751433507 /nfs/dbraw/zinc/43/35/07/751433507.db2.gz SRSNXWGOEWLEJV-GXTWGEPZSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](CC)C(N)=O)nn1 ZINC001028192979 751433512 /nfs/dbraw/zinc/43/35/12/751433512.db2.gz SRSNXWGOEWLEJV-GXTWGEPZSA-N 1 1 334.424 0.312 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC000973484996 739378918 /nfs/dbraw/zinc/37/89/18/739378918.db2.gz BOLXVBLVIGOVTC-BASLNEPJSA-N 1 1 340.427 0.638 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001112017997 739467797 /nfs/dbraw/zinc/46/77/97/739467797.db2.gz WTQXBZLTCRMWRQ-ZQIUZPCESA-N 1 1 334.420 0.188 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001112017997 739467800 /nfs/dbraw/zinc/46/78/00/739467800.db2.gz WTQXBZLTCRMWRQ-ZQIUZPCESA-N 1 1 334.420 0.188 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000988012428 751451331 /nfs/dbraw/zinc/45/13/31/751451331.db2.gz GVFWIEUGXANABC-ZIAGYGMSSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3noc4c3COCC4)[C@H]2C1 ZINC001083281707 739518658 /nfs/dbraw/zinc/51/86/58/739518658.db2.gz ZPQACFVGRCWKNB-DZGCQCFKSA-N 1 1 333.388 0.849 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001028197274 751455507 /nfs/dbraw/zinc/45/55/07/751455507.db2.gz DBXUEYCKCFIWQD-IXDOHACOSA-N 1 1 330.432 0.892 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001025471896 739615753 /nfs/dbraw/zinc/61/57/53/739615753.db2.gz JXHXAKJIUCTDSE-QWHCGFSZSA-N 1 1 342.399 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001025470485 739626425 /nfs/dbraw/zinc/62/64/25/739626425.db2.gz YJHDGYFQFBSKPH-CVEARBPZSA-N 1 1 345.443 0.958 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2O)C1 ZINC001025546132 739707122 /nfs/dbraw/zinc/70/71/22/739707122.db2.gz WLIMMGHEEZHEIE-NWANDNLSSA-N 1 1 335.448 0.372 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001025591785 739753733 /nfs/dbraw/zinc/75/37/33/739753733.db2.gz HSCMEHDUHBJOSA-NWDGAFQWSA-N 1 1 348.403 0.750 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025614871 739777398 /nfs/dbraw/zinc/77/73/98/739777398.db2.gz PQCXZLYFMLILOR-OLZOCXBDSA-N 1 1 331.420 0.982 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cc(C)c(C(N)=O)cn3)C2)C1 ZINC000982026372 751490119 /nfs/dbraw/zinc/49/01/19/751490119.db2.gz FNOHWPNSZWBDCQ-UHFFFAOYSA-N 1 1 326.400 0.660 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4C[C@]45CCOC5)C[C@H]32)c1 ZINC001025723486 739896892 /nfs/dbraw/zinc/89/68/92/739896892.db2.gz LSQANSKSLGOPEE-BHUQQCALSA-N 1 1 326.400 0.973 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC(OC)C2)C1=O ZINC001025816472 739989942 /nfs/dbraw/zinc/98/99/42/739989942.db2.gz UKXONQXDVQPYRK-RIDGJEOASA-N 1 1 333.432 0.245 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC2(F)F)C1=O ZINC001025817061 739990930 /nfs/dbraw/zinc/99/09/30/739990930.db2.gz XTJGXXNRQINWRZ-MEBFFEOJSA-N 1 1 339.386 0.865 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C1 ZINC001025847287 740018882 /nfs/dbraw/zinc/01/88/82/740018882.db2.gz AUJDTZSYVJQPAQ-YXISZKLHSA-N 1 1 331.460 0.997 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C)nn1 ZINC000988061417 751510872 /nfs/dbraw/zinc/51/08/72/751510872.db2.gz KUFNSQVGDKXJBN-IPYPFGDCSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070006576 790306683 /nfs/dbraw/zinc/30/66/83/790306683.db2.gz DTGFEVKORJHAMQ-BMFZPTHFSA-N 1 1 341.419 0.789 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CCC2)C1 ZINC001111777635 740234295 /nfs/dbraw/zinc/23/42/95/740234295.db2.gz MAGRKNZKMVBAOH-GFCCVEGCSA-N 1 1 330.392 0.130 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CCC2)C1 ZINC001111777635 740234298 /nfs/dbraw/zinc/23/42/98/740234298.db2.gz MAGRKNZKMVBAOH-GFCCVEGCSA-N 1 1 330.392 0.130 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982046433 751530178 /nfs/dbraw/zinc/53/01/78/751530178.db2.gz KGMNADUSJNEAQR-HNNXBMFYSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982046433 751530181 /nfs/dbraw/zinc/53/01/81/751530181.db2.gz KGMNADUSJNEAQR-HNNXBMFYSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CC[C@H](C)O4)C[C@H]32)nn1 ZINC001026094209 740370040 /nfs/dbraw/zinc/37/00/40/740370040.db2.gz UTZHQNYHZNQNSH-GRYWWWGRSA-N 1 1 331.420 0.692 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001026101731 740376999 /nfs/dbraw/zinc/37/69/99/740376999.db2.gz CETPNTFHDNXNDJ-IBPCWRJOSA-N 1 1 335.448 0.491 20 30 ECEDMO CN(C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cncc(C#N)n1 ZINC001058690327 740473486 /nfs/dbraw/zinc/47/34/86/740473486.db2.gz HHROSSLKMZYNMP-LSDHHAIUSA-N 1 1 342.447 0.975 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(-n4ccnc4)nn3)C2)C1 ZINC000982067574 751547830 /nfs/dbraw/zinc/54/78/30/751547830.db2.gz CWRKTMPVLCMSBJ-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO CN(C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1nccnc1C#N ZINC001058690199 740477012 /nfs/dbraw/zinc/47/70/12/740477012.db2.gz CYCUAIAHRDUMTJ-GJZGRUSLSA-N 1 1 342.447 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cc(C)on2)C1 ZINC000973961000 740675371 /nfs/dbraw/zinc/67/53/71/740675371.db2.gz IBLFOWRLZCEXSI-LZWOXQAQSA-N 1 1 344.415 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cc(C)on2)C1 ZINC000973961000 740675375 /nfs/dbraw/zinc/67/53/75/740675375.db2.gz IBLFOWRLZCEXSI-LZWOXQAQSA-N 1 1 344.415 0.387 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cncc(F)c2)C1 ZINC000974016040 740776322 /nfs/dbraw/zinc/77/63/22/740776322.db2.gz WTZOXRKLTPEAHJ-XHSDSOJGSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cncc(F)c2)C1 ZINC000974016040 740776324 /nfs/dbraw/zinc/77/63/24/740776324.db2.gz WTZOXRKLTPEAHJ-XHSDSOJGSA-N 1 1 344.390 0.695 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC000974076626 740895616 /nfs/dbraw/zinc/89/56/16/740895616.db2.gz JOYGIWRPPIOEBU-NCOADZHNSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC000974076626 740895621 /nfs/dbraw/zinc/89/56/21/740895621.db2.gz JOYGIWRPPIOEBU-NCOADZHNSA-N 1 1 347.459 0.664 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc4nnn(C)c43)[C@H]2C1 ZINC001083294044 740966766 /nfs/dbraw/zinc/96/67/66/740966766.db2.gz KEEISGQJNMFKGE-LSDHHAIUSA-N 1 1 327.388 0.680 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc4nnn(C)c43)[C@H]2C1 ZINC001083294044 740966769 /nfs/dbraw/zinc/96/67/69/740966769.db2.gz KEEISGQJNMFKGE-LSDHHAIUSA-N 1 1 327.388 0.680 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2nccc2C)C1 ZINC000974134115 740986693 /nfs/dbraw/zinc/98/66/93/740986693.db2.gz QCYDCXWYQHQLGQ-XHSDSOJGSA-N 1 1 343.431 0.053 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2nccc2C)C1 ZINC000974134115 740986696 /nfs/dbraw/zinc/98/66/96/740986696.db2.gz QCYDCXWYQHQLGQ-XHSDSOJGSA-N 1 1 343.431 0.053 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC000982112786 751606598 /nfs/dbraw/zinc/60/65/98/751606598.db2.gz DFIHBEDGLOJJKJ-UHFFFAOYSA-N 1 1 334.420 0.381 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000974262997 741192682 /nfs/dbraw/zinc/19/26/82/741192682.db2.gz IPVCZSSFRRYORW-GUTXKFCHSA-N 1 1 332.379 0.628 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000974262997 741192683 /nfs/dbraw/zinc/19/26/83/741192683.db2.gz IPVCZSSFRRYORW-GUTXKFCHSA-N 1 1 332.379 0.628 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cccnc2C)C1 ZINC000974263025 741192720 /nfs/dbraw/zinc/19/27/20/741192720.db2.gz KBCCTJUVCVNURK-UXLLHSPISA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cccnc2C)C1 ZINC000974263025 741192723 /nfs/dbraw/zinc/19/27/23/741192723.db2.gz KBCCTJUVCVNURK-UXLLHSPISA-N 1 1 340.427 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+]([C@@H](C)C(N)=O)C3)nc1 ZINC000982122656 751617775 /nfs/dbraw/zinc/61/77/75/751617775.db2.gz LPFCCCIQOCKUKA-ZDUSSCGKSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H](C)C(N)=O)C3)nc1 ZINC000982122656 751617777 /nfs/dbraw/zinc/61/77/77/751617777.db2.gz LPFCCCIQOCKUKA-ZDUSSCGKSA-N 1 1 326.400 0.475 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)[C@H](C)C1 ZINC001105048168 741241546 /nfs/dbraw/zinc/24/15/46/741241546.db2.gz SFPRLFDNOWEADF-KGLIPLIRSA-N 1 1 330.436 0.761 20 30 ECEDMO CC(C)(C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1)c1cnc[nH]1 ZINC001167742530 741260584 /nfs/dbraw/zinc/26/05/84/741260584.db2.gz NGMTZFJVULKOSF-UHFFFAOYSA-N 1 1 346.435 0.203 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC000982143869 751641132 /nfs/dbraw/zinc/64/11/32/751641132.db2.gz JPCDIRIJQJUYCN-UHFFFAOYSA-N 1 1 329.404 0.690 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3cncnc3)C2)nn1 ZINC001105221780 741496861 /nfs/dbraw/zinc/49/68/61/741496861.db2.gz VNSQUQOEMMBUKT-UHFFFAOYSA-N 1 1 327.392 0.360 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc(OC)cc3F)C2)nn1 ZINC001105253862 741567583 /nfs/dbraw/zinc/56/75/83/741567583.db2.gz IBIUGCDIBTXULK-UHFFFAOYSA-N 1 1 346.366 0.794 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 ZINC000982135316 751648714 /nfs/dbraw/zinc/64/87/14/751648714.db2.gz BYKUGPMLNKJYIS-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCC[NH2+]Cc1cn(C2CN(C(=O)CCc3cnc[nH]3)C2)nn1 ZINC001105256459 741577155 /nfs/dbraw/zinc/57/71/55/741577155.db2.gz FJFAHMOICGRUBY-UHFFFAOYSA-N 1 1 329.408 0.683 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3nc(CC)c[nH]3)C2)nn1 ZINC001105262309 741588173 /nfs/dbraw/zinc/58/81/73/741588173.db2.gz VBCNFFNDLSZFIN-UHFFFAOYSA-N 1 1 343.435 0.855 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccc(=O)n(C)c3)C2)nn1 ZINC001105276502 741629860 /nfs/dbraw/zinc/62/98/60/741629860.db2.gz LSGHTJKNDMOSPG-UHFFFAOYSA-N 1 1 342.403 0.340 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3CC)C2)nn1 ZINC001105276633 741630117 /nfs/dbraw/zinc/63/01/17/741630117.db2.gz NAOKGKRDZIZFGJ-UHFFFAOYSA-N 1 1 329.408 0.547 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OC)[C@@H]3CCOC3)C2)nn1 ZINC001105292375 741656291 /nfs/dbraw/zinc/65/62/91/741656291.db2.gz MIGRKIHXMLSUFF-CJNGLKHVSA-N 1 1 349.435 0.379 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)nn1 ZINC001105312176 741721347 /nfs/dbraw/zinc/72/13/47/741721347.db2.gz FDKZQZGJHLDQJR-HNNXBMFYSA-N 1 1 346.435 0.336 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC000982154044 751662206 /nfs/dbraw/zinc/66/22/06/751662206.db2.gz PNRJNLWFBYWHTD-AWEZNQCLSA-N 1 1 341.477 0.569 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974474001 741781162 /nfs/dbraw/zinc/78/11/62/741781162.db2.gz WLHCPMCXLMTRID-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974474001 741781163 /nfs/dbraw/zinc/78/11/63/741781163.db2.gz WLHCPMCXLMTRID-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)CCNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105327127 741811940 /nfs/dbraw/zinc/81/19/40/741811940.db2.gz TWUWLHPAPFNBFM-PBHICJAKSA-N 1 1 346.479 0.915 20 30 ECEDMO C=C(C)CCNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105327127 741811945 /nfs/dbraw/zinc/81/19/45/741811945.db2.gz TWUWLHPAPFNBFM-PBHICJAKSA-N 1 1 346.479 0.915 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCCC(=O)N3)C2)nn1 ZINC001105327188 741812797 /nfs/dbraw/zinc/81/27/97/741812797.db2.gz VQMFNOOUSCZEIF-HNNXBMFYSA-N 1 1 346.435 0.386 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105327167 741812887 /nfs/dbraw/zinc/81/28/87/741812887.db2.gz UTBRZFWAGWGADF-CJNGLKHVSA-N 1 1 332.452 0.525 20 30 ECEDMO COCc1noc(C[NH2+]C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001026794738 741839979 /nfs/dbraw/zinc/83/99/79/741839979.db2.gz PAQARUZYXFMDSC-NSHDSACASA-N 1 1 344.375 0.668 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3n[nH]cc3C)C(C)(C)C2)C1=O ZINC000974579608 741917514 /nfs/dbraw/zinc/91/75/14/741917514.db2.gz SOTWLGAYNGBKRK-KGLIPLIRSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3n[nH]cc3C)C(C)(C)C2)C1=O ZINC000974579608 741917515 /nfs/dbraw/zinc/91/75/15/741917515.db2.gz SOTWLGAYNGBKRK-KGLIPLIRSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000974650006 741968588 /nfs/dbraw/zinc/96/85/88/741968588.db2.gz AOHDNUQEYUVXNR-CYBMUJFWSA-N 1 1 329.466 0.425 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cn3nccc3C)C2)nn1 ZINC001105334756 742109667 /nfs/dbraw/zinc/10/96/67/742109667.db2.gz MTNXGQCXWIQXRN-UHFFFAOYSA-N 1 1 329.408 0.532 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000974791388 742194976 /nfs/dbraw/zinc/19/49/76/742194976.db2.gz PXZISXJOJJXTGZ-CQSZACIVSA-N 1 1 334.420 0.516 20 30 ECEDMO C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822458 742217637 /nfs/dbraw/zinc/21/76/37/742217637.db2.gz BEDVOELXCIGFPA-IOSXPMGOSA-N 1 1 331.460 0.700 20 30 ECEDMO C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822458 742217639 /nfs/dbraw/zinc/21/76/39/742217639.db2.gz BEDVOELXCIGFPA-IOSXPMGOSA-N 1 1 331.460 0.700 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC2(C)C)cc1 ZINC000974928040 742369090 /nfs/dbraw/zinc/36/90/90/742369090.db2.gz AYNQFEQLQAENDI-HZPDHXFCSA-N 1 1 325.412 0.997 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)cc1 ZINC000974928040 742369097 /nfs/dbraw/zinc/36/90/97/742369097.db2.gz AYNQFEQLQAENDI-HZPDHXFCSA-N 1 1 325.412 0.997 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974999515 742427904 /nfs/dbraw/zinc/42/79/04/742427904.db2.gz WODZQRDBIDCOSE-HUUCEWRRSA-N 1 1 341.415 0.566 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974999515 742427907 /nfs/dbraw/zinc/42/79/07/742427907.db2.gz WODZQRDBIDCOSE-HUUCEWRRSA-N 1 1 341.415 0.566 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cn3ccnc3C(C)C)C2)nn1 ZINC001105336891 742433558 /nfs/dbraw/zinc/43/35/58/742433558.db2.gz NHFXPTPXWRRBOQ-UHFFFAOYSA-N 1 1 343.435 0.957 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc(Cl)cn3)C2)nn1 ZINC001105337186 742441655 /nfs/dbraw/zinc/44/16/55/742441655.db2.gz VDGDOZJDVIPUEX-UHFFFAOYSA-N 1 1 335.799 0.487 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)OC)C[C@@]3(C)C2)C1=O ZINC000982226052 751730605 /nfs/dbraw/zinc/73/06/05/751730605.db2.gz XGQRUETYCVRIEZ-STEAMIEHSA-N 1 1 349.475 0.979 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000975212415 742609829 /nfs/dbraw/zinc/60/98/29/742609829.db2.gz DPWLAXFRBBNQJL-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000975361180 742752358 /nfs/dbraw/zinc/75/23/58/742752358.db2.gz KZXDWRPIYXQAAV-ZACQAIPSSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000975361180 742752361 /nfs/dbraw/zinc/75/23/61/742752361.db2.gz KZXDWRPIYXQAAV-ZACQAIPSSA-N 1 1 347.459 0.475 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1 ZINC000982255781 751776342 /nfs/dbraw/zinc/77/63/42/751776342.db2.gz JKLWPADMSZPCDV-JCGIZDLHSA-N 1 1 343.431 0.934 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001028957624 742986951 /nfs/dbraw/zinc/98/69/51/742986951.db2.gz AKKNDTYYQZAZFN-LBPRGKRZSA-N 1 1 325.372 0.805 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(C#N)c3)C[C@@]2(C)C1 ZINC000982258630 751785462 /nfs/dbraw/zinc/78/54/62/751785462.db2.gz MAFFILAXIHWGNS-JCGIZDLHSA-N 1 1 343.431 0.934 20 30 ECEDMO C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2)n1cccn1 ZINC001111601353 743107272 /nfs/dbraw/zinc/10/72/72/743107272.db2.gz WZJLUJZHMUUFPU-KEYYUXOJSA-N 1 1 344.419 0.055 20 30 ECEDMO C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2)n1cccn1 ZINC001111601353 743107280 /nfs/dbraw/zinc/10/72/80/743107280.db2.gz WZJLUJZHMUUFPU-KEYYUXOJSA-N 1 1 344.419 0.055 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)n2cccn2)C1 ZINC001111601368 743138885 /nfs/dbraw/zinc/13/88/85/743138885.db2.gz XYYLNMVDBFJTFA-VKJFTORMSA-N 1 1 345.447 0.717 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)n2cccn2)C1 ZINC001111601368 743138890 /nfs/dbraw/zinc/13/88/90/743138890.db2.gz XYYLNMVDBFJTFA-VKJFTORMSA-N 1 1 345.447 0.717 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([NH2+]Cc3cnsn3)CC2)nn1 ZINC000997073409 743198678 /nfs/dbraw/zinc/19/86/78/743198678.db2.gz FQAIFZCLRKCMCT-UHFFFAOYSA-N 1 1 333.421 0.710 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC000997076495 743201224 /nfs/dbraw/zinc/20/12/24/743201224.db2.gz DYFMUWJUBSSZDT-QZWWFDLISA-N 1 1 345.443 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC000997076495 743201233 /nfs/dbraw/zinc/20/12/33/743201233.db2.gz DYFMUWJUBSSZDT-QZWWFDLISA-N 1 1 345.443 0.369 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nc1 ZINC000997091755 743222638 /nfs/dbraw/zinc/22/26/38/743222638.db2.gz CEFBURBIMKHDMW-QGZVFWFLSA-N 1 1 340.427 0.876 20 30 ECEDMO COCc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000983506573 743303786 /nfs/dbraw/zinc/30/37/86/743303786.db2.gz XTADRZPSPMUUTP-UMSPYCQHSA-N 1 1 344.375 0.714 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041982243 782542849 /nfs/dbraw/zinc/54/28/49/782542849.db2.gz KRVFRCKTAZPXKZ-WDEREUQCSA-N 1 1 330.226 0.693 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041982243 782542856 /nfs/dbraw/zinc/54/28/56/782542856.db2.gz KRVFRCKTAZPXKZ-WDEREUQCSA-N 1 1 330.226 0.693 20 30 ECEDMO C=CCCOCC(=O)N1CC(n2cc(C[NH2+]C[C@H](C)OC)nn2)C1 ZINC001105381132 743446608 /nfs/dbraw/zinc/44/66/08/743446608.db2.gz OTBINRZFYRRRKW-ZDUSSCGKSA-N 1 1 337.424 0.379 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc[nH]c1)C2 ZINC000997313261 743478710 /nfs/dbraw/zinc/47/87/10/743478710.db2.gz HDEWHRJIWMULLE-QZWWFDLISA-N 1 1 340.427 0.974 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc[nH]c1)C2 ZINC000997313261 743478718 /nfs/dbraw/zinc/47/87/18/743478718.db2.gz HDEWHRJIWMULLE-QZWWFDLISA-N 1 1 340.427 0.974 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)Cn3cccn3)C2)C1=O ZINC001027298884 743511314 /nfs/dbraw/zinc/51/13/14/743511314.db2.gz MMVLMYDPFLWWEJ-HOTGVXAUSA-N 1 1 345.447 0.593 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCS(=O)(=O)CC2)C1 ZINC001027336349 743796741 /nfs/dbraw/zinc/79/67/41/743796741.db2.gz PHJAPBFVCYTLTD-DZGCQCFKSA-N 1 1 341.477 0.894 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncc[nH]1 ZINC000997770543 743800410 /nfs/dbraw/zinc/80/04/10/743800410.db2.gz ZIQAEOFMMZCMTP-QPSCCSFWSA-N 1 1 341.415 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncc[nH]1 ZINC000997770543 743800411 /nfs/dbraw/zinc/80/04/11/743800411.db2.gz ZIQAEOFMMZCMTP-QPSCCSFWSA-N 1 1 341.415 0.369 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976323437 743815113 /nfs/dbraw/zinc/81/51/13/743815113.db2.gz NNENKKHBVQMXEP-CVGURMSBSA-N 1 1 341.415 0.557 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000976410107 743920289 /nfs/dbraw/zinc/92/02/89/743920289.db2.gz URNNZUXMNFLULB-QXSJWSMHSA-N 1 1 341.415 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCOC1 ZINC001075898918 751872950 /nfs/dbraw/zinc/87/29/50/751872950.db2.gz JZUDSUCAXQUVJH-XHSDSOJGSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCOC1 ZINC001075898918 751872956 /nfs/dbraw/zinc/87/29/56/751872956.db2.gz JZUDSUCAXQUVJH-XHSDSOJGSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2csc(C)n2)C1 ZINC000998123548 743990200 /nfs/dbraw/zinc/99/02/00/743990200.db2.gz JILAUDMNBOMTCO-AWEZNQCLSA-N 1 1 332.429 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2csc(C)n2)C1 ZINC000998123548 743990202 /nfs/dbraw/zinc/99/02/02/743990202.db2.gz JILAUDMNBOMTCO-AWEZNQCLSA-N 1 1 332.429 0.490 20 30 ECEDMO C=CCn1cc(C(=O)N(CC)[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)CC2)nn1 ZINC000998140146 744000729 /nfs/dbraw/zinc/00/07/29/744000729.db2.gz IDTDSKTZVNFIBC-ZIAGYGMSSA-N 1 1 348.451 0.655 20 30 ECEDMO C[N@@H+]([C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@H]1CCCNC1=O ZINC001027375031 744032442 /nfs/dbraw/zinc/03/24/42/744032442.db2.gz MREYTOUEEKTWFI-CABCVRRESA-N 1 1 329.404 0.701 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001020604750 751890659 /nfs/dbraw/zinc/89/06/59/751890659.db2.gz MQBKXXGFOBHEMF-LPWJVIDDSA-N 1 1 336.392 0.544 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412236 744238758 /nfs/dbraw/zinc/23/87/58/744238758.db2.gz OAPZKXAWUAIKGX-GFCCVEGCSA-N 1 1 345.432 0.729 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(COC)on3)C2)nn1 ZINC001105339083 744257500 /nfs/dbraw/zinc/25/75/00/744257500.db2.gz JDOODCWZKHQFJJ-UHFFFAOYSA-N 1 1 332.364 0.385 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccsn3)C[C@H]21 ZINC000976733700 744257562 /nfs/dbraw/zinc/25/75/62/744257562.db2.gz BWWOXNIVNJCHTN-MYZSUADSSA-N 1 1 344.440 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccsn3)C[C@H]21 ZINC000976733700 744257566 /nfs/dbraw/zinc/25/75/66/744257566.db2.gz BWWOXNIVNJCHTN-MYZSUADSSA-N 1 1 344.440 0.427 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CC([NH2+]Cc2nnnn2C2CC2)C1 ZINC000998645793 744266015 /nfs/dbraw/zinc/26/60/15/744266015.db2.gz MNWLFFDNJQHTJM-UHFFFAOYSA-N 1 1 340.391 0.601 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000976757990 744273354 /nfs/dbraw/zinc/27/33/54/744273354.db2.gz ZELOORZFHZOZQF-OUSZYSOSSA-N 1 1 349.475 0.881 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000976757990 744273358 /nfs/dbraw/zinc/27/33/58/744273358.db2.gz ZELOORZFHZOZQF-OUSZYSOSSA-N 1 1 349.475 0.881 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC000998757168 744317061 /nfs/dbraw/zinc/31/70/61/744317061.db2.gz WGBMTKKYHHFMHA-NEPJUHHUSA-N 1 1 341.375 0.767 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@H](C)C(N)=O)C[C@]2(C)C1 ZINC000982298357 751909170 /nfs/dbraw/zinc/90/91/70/751909170.db2.gz BYSZEIDJQGMKNN-OHQAAIJDSA-N 1 1 346.475 0.128 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000998797195 744346936 /nfs/dbraw/zinc/34/69/36/744346936.db2.gz HKDUXVCNGHEXJN-GJZGRUSLSA-N 1 1 331.420 0.320 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1C ZINC000998954191 744426645 /nfs/dbraw/zinc/42/66/45/744426645.db2.gz DJWJOBMSGFCAFV-ZDUSSCGKSA-N 1 1 341.419 0.972 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]nc2C2CC2)C1 ZINC000998958644 744430333 /nfs/dbraw/zinc/43/03/33/744430333.db2.gz PXYSWBKSWVKOJP-HNNXBMFYSA-N 1 1 341.415 0.325 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]nc2C2CC2)C1 ZINC000998958644 744430336 /nfs/dbraw/zinc/43/03/36/744430336.db2.gz PXYSWBKSWVKOJP-HNNXBMFYSA-N 1 1 341.415 0.325 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001028250141 751919972 /nfs/dbraw/zinc/91/99/72/751919972.db2.gz SAMRFMYUWBGFKS-HNNXBMFYSA-N 1 1 331.420 0.847 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccnn3CCOC)C[C@@]2(C)C1 ZINC000982303575 751920367 /nfs/dbraw/zinc/92/03/67/751920367.db2.gz IEPALEMBCJWOED-HDICACEKSA-N 1 1 330.432 0.947 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)c1 ZINC000999317203 744621616 /nfs/dbraw/zinc/62/16/16/744621616.db2.gz DPDWQZAMJJPCBQ-INIZCTEOSA-N 1 1 349.394 0.778 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)c1 ZINC000999318885 744623215 /nfs/dbraw/zinc/62/32/15/744623215.db2.gz GRBJRUSDNFHDDK-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nnc(C)o2)C1 ZINC000999390181 744670548 /nfs/dbraw/zinc/67/05/48/744670548.db2.gz DZXKQWFUJWKYAK-CABCVRRESA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nnc(C)o2)C1 ZINC000999390181 744670551 /nfs/dbraw/zinc/67/05/51/744670551.db2.gz DZXKQWFUJWKYAK-CABCVRRESA-N 1 1 331.420 0.556 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnnn2C2CC2)C1 ZINC000999429087 744693908 /nfs/dbraw/zinc/69/39/08/744693908.db2.gz WSSWOOUWICFLIC-AXVKAWJUSA-N 1 1 346.435 0.678 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)C1CCOCC1 ZINC000977280019 744832964 /nfs/dbraw/zinc/83/29/64/744832964.db2.gz XVGNGDXXGQSQMI-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)C1CCOCC1 ZINC000977280019 744832969 /nfs/dbraw/zinc/83/29/69/744832969.db2.gz XVGNGDXXGQSQMI-IRXDYDNUSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000977311099 744853802 /nfs/dbraw/zinc/85/38/02/744853802.db2.gz QEAVVXALGWYFED-XYEKJYRLSA-N 1 1 348.447 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C)c2ccco2)C1 ZINC000999779630 744897788 /nfs/dbraw/zinc/89/77/88/744897788.db2.gz GRINNTXXNJUEAV-HIFRSBDPSA-N 1 1 329.400 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C)c2ccco2)C1 ZINC000999779630 744897791 /nfs/dbraw/zinc/89/77/91/744897791.db2.gz GRINNTXXNJUEAV-HIFRSBDPSA-N 1 1 329.400 0.808 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCNC(=O)CC(C)C)C2)nn1 ZINC001105382267 744955416 /nfs/dbraw/zinc/95/54/16/744955416.db2.gz DPYYNDJFJCDRHM-UHFFFAOYSA-N 1 1 348.451 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnns1 ZINC000977437471 744966852 /nfs/dbraw/zinc/96/68/52/744966852.db2.gz MSIQIVUFQRKHGV-OLZOCXBDSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnns1 ZINC000977437471 744966858 /nfs/dbraw/zinc/96/68/58/744966858.db2.gz MSIQIVUFQRKHGV-OLZOCXBDSA-N 1 1 347.444 0.309 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3ncn(C)c3=O)C[C@@]2(C)C1 ZINC000982322598 751959795 /nfs/dbraw/zinc/95/97/95/751959795.db2.gz YUNVDVVZXIFPOR-CALCHBBNSA-N 1 1 333.436 0.328 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnsn1 ZINC000977432891 744991506 /nfs/dbraw/zinc/99/15/06/744991506.db2.gz YKOXMDDQUGZDQK-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnsn1 ZINC000977432891 744991508 /nfs/dbraw/zinc/99/15/08/744991508.db2.gz YKOXMDDQUGZDQK-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)C1=COCCC1 ZINC000977451282 745008789 /nfs/dbraw/zinc/00/87/89/745008789.db2.gz UBOKYTJSMIRJNW-IRXDYDNUSA-N 1 1 345.443 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)C1=COCCC1 ZINC000977451282 745008784 /nfs/dbraw/zinc/00/87/84/745008784.db2.gz UBOKYTJSMIRJNW-IRXDYDNUSA-N 1 1 345.443 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)C1=COCCC1 ZINC000977451285 745008896 /nfs/dbraw/zinc/00/88/96/745008896.db2.gz UBOKYTJSMIRJNW-SJORKVTESA-N 1 1 345.443 0.838 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)C1=COCCC1 ZINC000977451285 745008901 /nfs/dbraw/zinc/00/89/01/745008901.db2.gz UBOKYTJSMIRJNW-SJORKVTESA-N 1 1 345.443 0.838 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000977454809 745015014 /nfs/dbraw/zinc/01/50/14/745015014.db2.gz XQLHTPAMSRUGLV-AWEZNQCLSA-N 1 1 345.447 0.231 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000999905178 745042737 /nfs/dbraw/zinc/04/27/37/745042737.db2.gz QWBPEXDLUSREKD-DZGCQCFKSA-N 1 1 330.432 0.812 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC000999954584 745094350 /nfs/dbraw/zinc/09/43/50/745094350.db2.gz ACFIFGROCHLCGK-AWEZNQCLSA-N 1 1 325.376 0.268 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCOC3)nn2)C1 ZINC000999957554 745098179 /nfs/dbraw/zinc/09/81/79/745098179.db2.gz VYWNHFOYUMOCMG-HOCLYGCPSA-N 1 1 331.420 0.591 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000977498709 745102541 /nfs/dbraw/zinc/10/25/41/745102541.db2.gz WQSUKKCPICVGHM-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nccnc3N)nn2)C1 ZINC000999960607 745103194 /nfs/dbraw/zinc/10/31/94/745103194.db2.gz CYHIDKCBWWTSKV-LBPRGKRZSA-N 1 1 328.380 0.013 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)n(C)n3)nn2)C1 ZINC000999963493 745106827 /nfs/dbraw/zinc/10/68/27/745106827.db2.gz RBXHVNRFIABYDT-AWEZNQCLSA-N 1 1 329.408 0.683 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]c(C)c3C)nn2)C1 ZINC000999964378 745108820 /nfs/dbraw/zinc/10/88/20/745108820.db2.gz ZSIBMMYUAXNKBW-OAHLLOKOSA-N 1 1 341.419 0.818 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1cc(C#N)c[nH]1 ZINC000977520666 745113657 /nfs/dbraw/zinc/11/36/57/745113657.db2.gz PXXJPQMGFCWNLT-ZFWWWQNUSA-N 1 1 329.404 0.653 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCC[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001059197499 745113711 /nfs/dbraw/zinc/11/37/11/745113711.db2.gz CUPKUOZXQXTALQ-AWEZNQCLSA-N 1 1 340.493 0.940 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)no3)nn2)C1 ZINC000999969600 745115685 /nfs/dbraw/zinc/11/56/85/745115685.db2.gz XGDCAQDHERCMQY-AWEZNQCLSA-N 1 1 328.376 0.775 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nnn(C)c3C)nn2)C1 ZINC000999973308 745122155 /nfs/dbraw/zinc/12/21/55/745122155.db2.gz YZIFEIWOMCQKGH-CYBMUJFWSA-N 1 1 330.396 0.078 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@H]3CCNC3=O)CC2(C)C)nc1 ZINC000977514527 745134772 /nfs/dbraw/zinc/13/47/72/745134772.db2.gz PYVVGYZUHSBUIL-GJZGRUSLSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCNC3=O)CC2(C)C)nc1 ZINC000977514527 745134774 /nfs/dbraw/zinc/13/47/74/745134774.db2.gz PYVVGYZUHSBUIL-GJZGRUSLSA-N 1 1 326.400 0.392 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 ZINC000999984403 745136689 /nfs/dbraw/zinc/13/66/89/745136689.db2.gz MERGIODCAJNPBA-AWEZNQCLSA-N 1 1 344.423 0.550 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 ZINC000999987512 745142725 /nfs/dbraw/zinc/14/27/25/745142725.db2.gz OWHDTLMHZMTLLI-HOTGVXAUSA-N 1 1 345.451 0.539 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 ZINC000999990300 745147459 /nfs/dbraw/zinc/14/74/59/745147459.db2.gz JMDQXEOLZCRDNN-CYBMUJFWSA-N 1 1 330.396 0.160 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCNC3=O)nn2)C1 ZINC000999993354 745151409 /nfs/dbraw/zinc/15/14/09/745151409.db2.gz SAXLBNRBVYYSOC-GJZGRUSLSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCNC3=O)nn2)C1 ZINC000999993428 745151804 /nfs/dbraw/zinc/15/18/04/745151804.db2.gz SWVSGXFDJGWTGT-HUUCEWRRSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCNC3=O)nn2)C1 ZINC000999993426 745151917 /nfs/dbraw/zinc/15/19/17/745151917.db2.gz SWVSGXFDJGWTGT-GJZGRUSLSA-N 1 1 346.435 0.243 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccns3)nn2)C1 ZINC000999993752 745151939 /nfs/dbraw/zinc/15/19/39/745151939.db2.gz VBCQTVHDOKWYGX-ZDUSSCGKSA-N 1 1 330.417 0.935 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccns3)nn2)C1 ZINC000999993714 745152084 /nfs/dbraw/zinc/15/20/84/745152084.db2.gz UOYGNRWHHPSEKK-CYBMUJFWSA-N 1 1 330.417 0.935 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CCF)C2)nn1 ZINC000999995089 745154014 /nfs/dbraw/zinc/15/40/14/745154014.db2.gz CWAZUQCFGXIVTB-HOTGVXAUSA-N 1 1 348.426 0.208 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CCF)C2)nn1 ZINC000999995089 745154018 /nfs/dbraw/zinc/15/40/18/745154018.db2.gz CWAZUQCFGXIVTB-HOTGVXAUSA-N 1 1 348.426 0.208 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3coc(OCC)n3)nn2)C1 ZINC001000003689 745169038 /nfs/dbraw/zinc/16/90/38/745169038.db2.gz QVDWJOIWYVUPBB-CYBMUJFWSA-N 1 1 344.375 0.475 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088569962 751978183 /nfs/dbraw/zinc/97/81/83/751978183.db2.gz TZVMSVWYZPIKGN-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088569962 751978190 /nfs/dbraw/zinc/97/81/90/751978190.db2.gz TZVMSVWYZPIKGN-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCNC3=O)nn2)C1 ZINC001000013694 745182913 /nfs/dbraw/zinc/18/29/13/745182913.db2.gz IQJVQRROOLIXHU-LSDHHAIUSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001000030859 745205004 /nfs/dbraw/zinc/20/50/04/745205004.db2.gz UWLXMKCZPFBUHD-AWEZNQCLSA-N 1 1 327.392 0.821 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(CC)nn3)nn2)C1 ZINC001000035197 745211064 /nfs/dbraw/zinc/21/10/64/745211064.db2.gz KXFDCSOQTREKQO-CQSZACIVSA-N 1 1 342.407 0.090 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nonc3C)nn2)C1 ZINC001000041065 745219596 /nfs/dbraw/zinc/21/95/96/745219596.db2.gz CIUZWNQIYQKKOL-CYBMUJFWSA-N 1 1 329.364 0.170 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1c[nH]c(C#N)c1 ZINC000977584590 745244159 /nfs/dbraw/zinc/24/41/59/745244159.db2.gz LPFPTRNTXROXNB-GJZGRUSLSA-N 1 1 329.404 0.653 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000977587128 745248141 /nfs/dbraw/zinc/24/81/41/745248141.db2.gz XLLQVJAKRMGYPT-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000977606224 745259478 /nfs/dbraw/zinc/25/94/78/745259478.db2.gz SOQRLUQOSLUDJI-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059234914 745301461 /nfs/dbraw/zinc/30/14/61/745301461.db2.gz ALVNZPMNCBHEGH-OBJOEFQTSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001059234914 745301465 /nfs/dbraw/zinc/30/14/65/745301465.db2.gz ALVNZPMNCBHEGH-OBJOEFQTSA-N 1 1 330.392 0.128 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C(C)(C)C1 ZINC000977622034 745308088 /nfs/dbraw/zinc/30/80/88/745308088.db2.gz NCNSNQGMERGKSL-AWEZNQCLSA-N 1 1 348.451 0.383 20 30 ECEDMO N#CCN1CCC(C2(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CC2)CC1 ZINC001000216296 745354007 /nfs/dbraw/zinc/35/40/07/745354007.db2.gz VJEZXVIPCZIIOF-HQVVEAJESA-N 1 1 344.459 0.734 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CNC(=O)C(CC)CC)C2)nn1 ZINC001105387117 745421993 /nfs/dbraw/zinc/42/19/93/745421993.db2.gz NAXSXNQVNUREIN-UHFFFAOYSA-N 1 1 348.451 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccn(C)n1 ZINC000977766481 745492809 /nfs/dbraw/zinc/49/28/09/745492809.db2.gz VOLWKQDJYJPFKO-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccn(C)n1 ZINC000977766481 745492811 /nfs/dbraw/zinc/49/28/11/745492811.db2.gz VOLWKQDJYJPFKO-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C)[nH]3)C2)nn1 ZINC001000431521 745494476 /nfs/dbraw/zinc/49/44/76/745494476.db2.gz ZJRSVUWLQUEVQJ-CYBMUJFWSA-N 1 1 344.423 0.675 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C)nn3C)C2)nn1 ZINC001098626572 745516307 /nfs/dbraw/zinc/51/63/07/745516307.db2.gz VFYHWOJUHIIJKI-AWEZNQCLSA-N 1 1 329.408 0.683 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccoc4)[C@@H]3C2)C1=O ZINC000977820130 745539172 /nfs/dbraw/zinc/53/91/72/745539172.db2.gz MCECWMVVNIWJJG-LVQVYYBASA-N 1 1 329.400 0.974 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3cc(C)n[nH]3)CC2)C1=O ZINC001000491149 745541851 /nfs/dbraw/zinc/54/18/51/745541851.db2.gz MGJZEFATDSAITA-INIZCTEOSA-N 1 1 343.431 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@H]3CCCOC3)CC2)C1=O ZINC001000498860 745548146 /nfs/dbraw/zinc/54/81/46/745548146.db2.gz BYRWQSXWQNWPLB-IRXDYDNUSA-N 1 1 347.459 0.948 20 30 ECEDMO C=CCN1CC[C@H](N2CC=C(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001000520488 745562917 /nfs/dbraw/zinc/56/29/17/745562917.db2.gz FKZGEMBYEODQHV-SJORKVTESA-N 1 1 346.475 0.616 20 30 ECEDMO C=CCN1CC[C@H](N2CC=C(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001000520488 745562920 /nfs/dbraw/zinc/56/29/20/745562920.db2.gz FKZGEMBYEODQHV-SJORKVTESA-N 1 1 346.475 0.616 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC001000557604 745593996 /nfs/dbraw/zinc/59/39/96/745593996.db2.gz BZJCFLPZTLYUIN-INIZCTEOSA-N 1 1 341.415 0.869 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([N@@H+](C)CCn3cncn3)C2)c1 ZINC001027568579 745595640 /nfs/dbraw/zinc/59/56/40/745595640.db2.gz NGDUUSUXQCFARA-KRWDZBQOSA-N 1 1 338.415 0.891 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)nn1 ZINC001098700627 745642448 /nfs/dbraw/zinc/64/24/48/745642448.db2.gz QIOZHEYYJVOZHL-IMJJTQAJSA-N 1 1 333.436 1.000 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1nccnc1C#N ZINC001126518019 745647888 /nfs/dbraw/zinc/64/78/88/745647888.db2.gz PCEAUTGOFMGJRT-AWEZNQCLSA-N 1 1 346.435 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1ccnc1 ZINC000977921838 745651491 /nfs/dbraw/zinc/65/14/91/745651491.db2.gz VESOBDFNBMUNRS-HOTGVXAUSA-N 1 1 343.431 0.040 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1ccnc1 ZINC000977921838 745651493 /nfs/dbraw/zinc/65/14/93/745651493.db2.gz VESOBDFNBMUNRS-HOTGVXAUSA-N 1 1 343.431 0.040 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC)C(N)=O ZINC001029312142 745680089 /nfs/dbraw/zinc/68/00/89/745680089.db2.gz RXXYQFQPQGQGIW-LEOABGAYSA-N 1 1 335.448 0.907 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC)C(N)=O ZINC001029312142 745680094 /nfs/dbraw/zinc/68/00/94/745680094.db2.gz RXXYQFQPQGQGIW-LEOABGAYSA-N 1 1 335.448 0.907 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3n[nH]cc3C)CC2)C1=O ZINC001000663776 745680073 /nfs/dbraw/zinc/68/00/73/745680073.db2.gz IGFYDUFCWISFIW-HNNXBMFYSA-N 1 1 343.431 0.867 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)O1 ZINC000977929544 745685381 /nfs/dbraw/zinc/68/53/81/745685381.db2.gz UDSMXEGCVIFCBD-FVQBIDKESA-N 1 1 333.432 0.178 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)O1 ZINC000977929544 745685385 /nfs/dbraw/zinc/68/53/85/745685385.db2.gz UDSMXEGCVIFCBD-FVQBIDKESA-N 1 1 333.432 0.178 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001000682540 745695041 /nfs/dbraw/zinc/69/50/41/745695041.db2.gz JKPVBSFBEVRQNL-CQSZACIVSA-N 1 1 329.404 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000982349204 752024844 /nfs/dbraw/zinc/02/48/44/752024844.db2.gz SSLKSBNWCKWQOV-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000982349204 752024849 /nfs/dbraw/zinc/02/48/49/752024849.db2.gz SSLKSBNWCKWQOV-STQMWFEESA-N 1 1 327.375 0.704 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([NH2+][C@H](C)c3nnnn3C)C2)cn1 ZINC001000730225 745728402 /nfs/dbraw/zinc/72/84/02/745728402.db2.gz UKDGZGBXATWNCN-DOMZBBRYSA-N 1 1 339.403 0.542 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029338165 745750436 /nfs/dbraw/zinc/75/04/36/745750436.db2.gz TWVHSBXCCOLXFB-QLFBSQMISA-N 1 1 328.416 0.851 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)cn1 ZINC001028270726 752030049 /nfs/dbraw/zinc/03/00/49/752030049.db2.gz RIGNQOHYXSVKGZ-GJZGRUSLSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)cn1 ZINC001028270726 752030053 /nfs/dbraw/zinc/03/00/53/752030053.db2.gz RIGNQOHYXSVKGZ-GJZGRUSLSA-N 1 1 340.383 0.062 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC001000787948 745763565 /nfs/dbraw/zinc/76/35/65/745763565.db2.gz LMZVUAXLCVPZCB-ROUUACIJSA-N 1 1 331.460 0.869 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2cnon2)CC1 ZINC001000791666 745768932 /nfs/dbraw/zinc/76/89/32/745768932.db2.gz RPJAACYIOMBCRA-INIZCTEOSA-N 1 1 329.404 0.416 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2cnon2)CC1 ZINC001000791666 745768936 /nfs/dbraw/zinc/76/89/36/745768936.db2.gz RPJAACYIOMBCRA-INIZCTEOSA-N 1 1 329.404 0.416 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)[nH]1 ZINC000978024413 745788752 /nfs/dbraw/zinc/78/87/52/745788752.db2.gz ULJXWZXINNZZIX-ZSOGYDGISA-N 1 1 327.388 0.026 20 30 ECEDMO C[C@@H](c1nncn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978024632 745789792 /nfs/dbraw/zinc/78/97/92/745789792.db2.gz VOCODYXVWKZFOM-DOERSZECSA-N 1 1 339.403 0.684 20 30 ECEDMO C[C@@H](c1nncn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978024632 745789796 /nfs/dbraw/zinc/78/97/96/745789796.db2.gz VOCODYXVWKZFOM-DOERSZECSA-N 1 1 339.403 0.684 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2snnc2C)C1 ZINC001000876052 745851284 /nfs/dbraw/zinc/85/12/84/745851284.db2.gz KGDSDTQBXUDCPZ-ZDUSSCGKSA-N 1 1 347.444 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2snnc2C)C1 ZINC001000876052 745851288 /nfs/dbraw/zinc/85/12/88/745851288.db2.gz KGDSDTQBXUDCPZ-ZDUSSCGKSA-N 1 1 347.444 0.132 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)c[nH]1 ZINC000978069040 745874995 /nfs/dbraw/zinc/87/49/95/745874995.db2.gz YJKJUTVEXGOLCS-QKDCVEJESA-N 1 1 325.376 0.086 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004188 752041199 /nfs/dbraw/zinc/04/11/99/752041199.db2.gz USQYSXYZKDHVOB-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004188 752041202 /nfs/dbraw/zinc/04/12/02/752041202.db2.gz USQYSXYZKDHVOB-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C)n2C)C1 ZINC001000930483 745908563 /nfs/dbraw/zinc/90/85/63/745908563.db2.gz QPKUZLGOJZLZKI-KRWDZBQOSA-N 1 1 342.443 0.619 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C)n2C)C1 ZINC001000930483 745908566 /nfs/dbraw/zinc/90/85/66/745908566.db2.gz QPKUZLGOJZLZKI-KRWDZBQOSA-N 1 1 342.443 0.619 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC2CC2)cn1 ZINC001028272693 752049643 /nfs/dbraw/zinc/04/96/43/752049643.db2.gz IFAARLQVNUZQRQ-MRXNPFEDSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC2CC2)cn1 ZINC001028272693 752049648 /nfs/dbraw/zinc/04/96/48/752049648.db2.gz IFAARLQVNUZQRQ-MRXNPFEDSA-N 1 1 326.400 0.536 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)c3[nH]nnc3C)CC2)C1=O ZINC001001027364 745991444 /nfs/dbraw/zinc/99/14/44/745991444.db2.gz DMVDUWAGPVXZMV-CQSZACIVSA-N 1 1 344.419 0.262 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001007022954 752051884 /nfs/dbraw/zinc/05/18/84/752051884.db2.gz YCMKMWVDJZKTNV-UKRRQHHQSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cccc(=O)[nH]3)C2)C1=O ZINC001007022954 752051890 /nfs/dbraw/zinc/05/18/90/752051890.db2.gz YCMKMWVDJZKTNV-UKRRQHHQSA-N 1 1 344.415 0.768 20 30 ECEDMO NC(=O)CC(=O)N1CC[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C1 ZINC001041986220 782551034 /nfs/dbraw/zinc/55/10/34/782551034.db2.gz OPMTTZZVIFIHEG-NVXWUHKLSA-N 1 1 343.402 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cncs2)C1 ZINC001001090350 746064767 /nfs/dbraw/zinc/06/47/67/746064767.db2.gz BFWOGPMKKCAATJ-ZDUSSCGKSA-N 1 1 332.429 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cncs2)C1 ZINC001001090350 746064775 /nfs/dbraw/zinc/06/47/75/746064775.db2.gz BFWOGPMKKCAATJ-ZDUSSCGKSA-N 1 1 332.429 0.429 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cnn(C)c3)C2)nn1 ZINC001027606978 746163294 /nfs/dbraw/zinc/16/32/94/746163294.db2.gz PJKXJFRJUVTMRI-OAHLLOKOSA-N 1 1 343.435 0.934 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)CSCC#N)C1 ZINC001059350610 746166708 /nfs/dbraw/zinc/16/67/08/746166708.db2.gz WTIJFJJIZMIOLX-UONOGXRCSA-N 1 1 338.477 0.692 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1CC ZINC001087667276 746169022 /nfs/dbraw/zinc/16/90/22/746169022.db2.gz PEAVBSPLPJUPIN-SOUVJXGZSA-N 1 1 331.420 0.911 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001001241827 746200761 /nfs/dbraw/zinc/20/07/61/746200761.db2.gz BMTAGWACEYDBFA-BPUTZDHNSA-N 1 1 335.448 0.980 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001001241827 746200763 /nfs/dbraw/zinc/20/07/63/746200763.db2.gz BMTAGWACEYDBFA-BPUTZDHNSA-N 1 1 335.448 0.980 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+]([C@H](C)C(=O)N(C)C)CC2)nn1 ZINC001001243295 746201735 /nfs/dbraw/zinc/20/17/35/746201735.db2.gz YSXXCWMPUDWGDJ-CYBMUJFWSA-N 1 1 346.435 0.303 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC001001255914 746214516 /nfs/dbraw/zinc/21/45/16/746214516.db2.gz FVWSRBHJPUYXSF-BPUTZDHNSA-N 1 1 335.448 0.850 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC001001255914 746214520 /nfs/dbraw/zinc/21/45/20/746214520.db2.gz FVWSRBHJPUYXSF-BPUTZDHNSA-N 1 1 335.448 0.850 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC000978345604 746228121 /nfs/dbraw/zinc/22/81/21/746228121.db2.gz AVCDEAVMCVVYAK-QKDCVEJESA-N 1 1 336.457 0.129 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4ccc(OC)nn43)[C@@H]2C1 ZINC000978363577 746245139 /nfs/dbraw/zinc/24/51/39/746245139.db2.gz PYDKCFCZPRJUJS-ZSOGYDGISA-N 1 1 339.399 0.669 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC000984351688 746322555 /nfs/dbraw/zinc/32/25/55/746322555.db2.gz RADNBVKKJMCLKE-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC000984351688 746322560 /nfs/dbraw/zinc/32/25/60/746322560.db2.gz RADNBVKKJMCLKE-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC000984351688 746322566 /nfs/dbraw/zinc/32/25/66/746322566.db2.gz RADNBVKKJMCLKE-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC000984351688 746322571 /nfs/dbraw/zinc/32/25/71/746322571.db2.gz RADNBVKKJMCLKE-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC000984349780 746330476 /nfs/dbraw/zinc/33/04/76/746330476.db2.gz JBBABAYVJIKIGO-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC000984349780 746330480 /nfs/dbraw/zinc/33/04/80/746330480.db2.gz JBBABAYVJIKIGO-IXDOHACOSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2ccc(CNC(N)=O)cc2)CC1 ZINC001001435843 746373339 /nfs/dbraw/zinc/37/33/39/746373339.db2.gz OCXFPTQIOXHVPV-UHFFFAOYSA-N 1 1 326.400 0.850 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@@]2(C)C1 ZINC000982385714 752085037 /nfs/dbraw/zinc/08/50/37/752085037.db2.gz KWECBEWSLHKHKE-JCGIZDLHSA-N 1 1 341.415 0.169 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1CC ZINC001087818832 746411773 /nfs/dbraw/zinc/41/17/73/746411773.db2.gz QDZKJSWIFXQYGM-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nc3[C@@H]3CCOC3)[C@@H]2C1 ZINC000978548515 746416350 /nfs/dbraw/zinc/41/63/50/746416350.db2.gz NTHOPEBTHHWWGV-FPCVCCKLSA-N 1 1 342.443 0.855 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001001478274 746418055 /nfs/dbraw/zinc/41/80/55/746418055.db2.gz QTXFJEKTHKXFHC-GFCCVEGCSA-N 1 1 329.404 0.416 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2csnn2)CC1 ZINC001001493383 746431017 /nfs/dbraw/zinc/43/10/17/746431017.db2.gz ZJDLMHOJMQVOLK-INIZCTEOSA-N 1 1 347.488 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2csnn2)CC1 ZINC001001493383 746431021 /nfs/dbraw/zinc/43/10/21/746431021.db2.gz ZJDLMHOJMQVOLK-INIZCTEOSA-N 1 1 347.488 0.964 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1CC ZINC001087833774 746446060 /nfs/dbraw/zinc/44/60/60/746446060.db2.gz SXMROKOLJKBTSY-SDDRHHMPSA-N 1 1 335.857 0.400 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1CC ZINC001087833774 746446062 /nfs/dbraw/zinc/44/60/62/746446062.db2.gz SXMROKOLJKBTSY-SDDRHHMPSA-N 1 1 335.857 0.400 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@H]2CCCN(C(=O)C3CCC3)C2)C1=O ZINC001087853175 746504824 /nfs/dbraw/zinc/50/48/24/746504824.db2.gz BKYHERXEPOUEQT-IRXDYDNUSA-N 1 1 349.475 0.859 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCO)[C@H]2CCCN(C(=O)CCC)C2)C1=O ZINC001087853656 746506746 /nfs/dbraw/zinc/50/67/46/746506746.db2.gz BAAPPJMINPIKEY-JKSUJKDBSA-N 1 1 337.464 0.859 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC(=O)NC2)c1 ZINC001038449788 746520025 /nfs/dbraw/zinc/52/00/25/746520025.db2.gz MLNZQXOQCLQMHF-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC(=O)NC2)c1 ZINC001038449788 746520029 /nfs/dbraw/zinc/52/00/29/746520029.db2.gz MLNZQXOQCLQMHF-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)nc1 ZINC001027656052 746593982 /nfs/dbraw/zinc/59/39/82/746593982.db2.gz JIONPYIPVQOYCC-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 ZINC001087911223 746645356 /nfs/dbraw/zinc/64/53/56/746645356.db2.gz NQIJHFVVFIHYHM-WQVCFCJDSA-N 1 1 330.436 0.835 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978740730 746666789 /nfs/dbraw/zinc/66/67/89/746666789.db2.gz UMZVBOFKKSHWAC-IVMMDQJWSA-N 1 1 343.431 0.995 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940140 746694193 /nfs/dbraw/zinc/69/41/93/746694193.db2.gz VLFKIMYDZZNBOG-BZPMIXESSA-N 1 1 329.404 0.415 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4coc(C)n4)C[C@H]32)nn1 ZINC000978812029 746733607 /nfs/dbraw/zinc/73/36/07/746733607.db2.gz CBYVWDYGIZRNAX-QKDCVEJESA-N 1 1 342.403 0.868 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4coc(C)n4)C[C@H]32)nn1 ZINC000978812029 746733614 /nfs/dbraw/zinc/73/36/14/746733614.db2.gz CBYVWDYGIZRNAX-QKDCVEJESA-N 1 1 342.403 0.868 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087962108 746747495 /nfs/dbraw/zinc/74/74/95/746747495.db2.gz YGXBCGWFOXSKOR-IXDOHACOSA-N 1 1 339.443 0.959 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC000978823392 746751657 /nfs/dbraw/zinc/75/16/57/746751657.db2.gz JEHKFXIOZWNPMP-ZQDZILKHSA-N 1 1 326.462 0.681 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC000978828076 746757157 /nfs/dbraw/zinc/75/71/57/746757157.db2.gz FUSDKOUNJIRQLS-FDPKGLCPSA-N 1 1 349.475 0.740 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@@H]2C1 ZINC001087967775 746760445 /nfs/dbraw/zinc/76/04/45/746760445.db2.gz LIBRLIJHBDZOGP-KGLIPLIRSA-N 1 1 333.432 0.738 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978895285 746848774 /nfs/dbraw/zinc/84/87/74/746848774.db2.gz ABIJBVAAKLOUMA-YHUYYLMFSA-N 1 1 343.431 0.246 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001001979057 746858595 /nfs/dbraw/zinc/85/85/95/746858595.db2.gz RXLAKDRWMLKAQW-GOSISDBHSA-N 1 1 339.439 0.737 20 30 ECEDMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007152326 752131741 /nfs/dbraw/zinc/13/17/41/752131741.db2.gz MVFXMISDZFFJIG-INIZCTEOSA-N 1 1 339.399 0.616 20 30 ECEDMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007152326 752131745 /nfs/dbraw/zinc/13/17/45/752131745.db2.gz MVFXMISDZFFJIG-INIZCTEOSA-N 1 1 339.399 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ocnc2C)C1 ZINC000978954485 746949576 /nfs/dbraw/zinc/94/95/76/746949576.db2.gz UVHNDPFVKPETDX-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ocnc2C)C1 ZINC000978954485 746949583 /nfs/dbraw/zinc/94/95/83/746949583.db2.gz UVHNDPFVKPETDX-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cncn2C)C1 ZINC000978954790 746950528 /nfs/dbraw/zinc/95/05/28/746950528.db2.gz ZHYNWEREPYIZLR-ZNMIVQPWSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cncn2C)C1 ZINC000978954790 746950534 /nfs/dbraw/zinc/95/05/34/746950534.db2.gz ZHYNWEREPYIZLR-ZNMIVQPWSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cccnn2)C1 ZINC000978954712 746950744 /nfs/dbraw/zinc/95/07/44/746950744.db2.gz WSPJICIMSGCJMH-LZWOXQAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cccnn2)C1 ZINC000978954712 746950753 /nfs/dbraw/zinc/95/07/53/746950753.db2.gz WSPJICIMSGCJMH-LZWOXQAQSA-N 1 1 341.415 0.199 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978962598 746961337 /nfs/dbraw/zinc/96/13/37/746961337.db2.gz DMOSWOUSQQXTBO-ZQDZILKHSA-N 1 1 329.404 0.170 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001002095271 746970747 /nfs/dbraw/zinc/97/07/47/746970747.db2.gz GFHXGKRALLDPSN-HNNXBMFYSA-N 1 1 343.855 0.814 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001002139069 747019322 /nfs/dbraw/zinc/01/93/22/747019322.db2.gz QVPADAXTHVHWOI-HNNXBMFYSA-N 1 1 343.855 0.814 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000984895164 747066598 /nfs/dbraw/zinc/06/65/98/747066598.db2.gz JQQBTPWZLYWCCS-UHOFOFEASA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C[C@@H]2C1 ZINC001088018655 747073842 /nfs/dbraw/zinc/07/38/42/747073842.db2.gz FZIYZYCJQSFYJV-KFWWJZLASA-N 1 1 345.447 0.903 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088032519 747114444 /nfs/dbraw/zinc/11/44/44/747114444.db2.gz RWRYENXFEZRPKW-KFWWJZLASA-N 1 1 326.462 0.778 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@@H]2C1 ZINC001088052498 747157280 /nfs/dbraw/zinc/15/72/80/747157280.db2.gz ULAHTBIARQRDTI-CVEARBPZSA-N 1 1 347.463 0.718 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nncn4C3)[C@@H]2C1 ZINC000979092677 747162833 /nfs/dbraw/zinc/16/28/33/747162833.db2.gz UBJAYFXYZZBKMX-SYQHCUMBSA-N 1 1 335.839 0.887 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(OC)ncnc3OC)[C@@H]2C1 ZINC000979133003 747209791 /nfs/dbraw/zinc/20/97/91/747209791.db2.gz MCSJHZYRLGLVCI-XYYAHUGASA-N 1 1 332.404 0.978 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001027742820 747327226 /nfs/dbraw/zinc/32/72/26/747327226.db2.gz WVSOAHQRDXGFRD-HZPDHXFCSA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001027742820 747327227 /nfs/dbraw/zinc/32/72/27/747327227.db2.gz WVSOAHQRDXGFRD-HZPDHXFCSA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)C3=CCOCC3)C2)C1=O ZINC001007189237 752174688 /nfs/dbraw/zinc/17/46/88/752174688.db2.gz LFYQDPBTHBYMKO-CVEARBPZSA-N 1 1 333.432 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C3=CCOCC3)C2)C1=O ZINC001007189237 752174694 /nfs/dbraw/zinc/17/46/94/752174694.db2.gz LFYQDPBTHBYMKO-CVEARBPZSA-N 1 1 333.432 0.701 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2nc(C)ccc2C#N)C1 ZINC001105409464 747427681 /nfs/dbraw/zinc/42/76/81/747427681.db2.gz IPQHVXKZTMQMTL-INIZCTEOSA-N 1 1 345.447 0.877 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2nc(C)ccc2C#N)C1 ZINC001105409464 747427684 /nfs/dbraw/zinc/42/76/84/747427684.db2.gz IPQHVXKZTMQMTL-INIZCTEOSA-N 1 1 345.447 0.877 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C[C@@H]2C1 ZINC001088132188 747454920 /nfs/dbraw/zinc/45/49/20/747454920.db2.gz BWWAQUATOJKSGG-IKGGRYGDSA-N 1 1 329.444 0.801 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC001002516279 747457312 /nfs/dbraw/zinc/45/73/12/747457312.db2.gz LUJROKSXEDQUDO-DZGCQCFKSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNCc3cnn(C)n3)C2)CC1 ZINC000985155182 747479730 /nfs/dbraw/zinc/47/97/30/747479730.db2.gz QZZLATFXYWDWFH-KOMQPUFPSA-N 1 1 344.463 0.145 20 30 ECEDMO Cc1nonc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979262409 747487206 /nfs/dbraw/zinc/48/72/06/747487206.db2.gz CSCXKXPBAUPBAH-NHYWBVRUSA-N 1 1 344.375 0.597 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)cn1 ZINC001029558827 747506374 /nfs/dbraw/zinc/50/63/74/747506374.db2.gz XMGKRKSZNPRGLY-IXDOHACOSA-N 1 1 338.411 0.630 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059499247 747536910 /nfs/dbraw/zinc/53/69/10/747536910.db2.gz KNGHKKQRVGDHRF-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059499247 747536913 /nfs/dbraw/zinc/53/69/13/747536913.db2.gz KNGHKKQRVGDHRF-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001088162707 747558607 /nfs/dbraw/zinc/55/86/07/747558607.db2.gz FUSYFRXRDSRVRN-KGLIPLIRSA-N 1 1 334.420 0.285 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)nn1 ZINC001105342575 747582662 /nfs/dbraw/zinc/58/26/62/747582662.db2.gz LLNXCTJVACPQBU-RDJZCZTQSA-N 1 1 344.463 0.954 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCCO3)CC2)C1=O ZINC000985246100 747594463 /nfs/dbraw/zinc/59/44/63/747594463.db2.gz OMKNIIPENOFLAV-HZPDHXFCSA-N 1 1 335.448 0.875 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001002641489 747605638 /nfs/dbraw/zinc/60/56/38/747605638.db2.gz HIINSOCWKCWMMU-GOSISDBHSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C)n(C)n2)C1=O ZINC001027779255 747610200 /nfs/dbraw/zinc/61/02/00/747610200.db2.gz VIGGGXGJLQXADW-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C)n(C)n2)C1=O ZINC001027779255 747610205 /nfs/dbraw/zinc/61/02/05/747610205.db2.gz VIGGGXGJLQXADW-HOCLYGCPSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ncoc2C)C1=O ZINC001027780510 747648366 /nfs/dbraw/zinc/64/83/66/747648366.db2.gz QTXGEVGEQQOHCG-KGLIPLIRSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ncoc2C)C1=O ZINC001027780510 747648370 /nfs/dbraw/zinc/64/83/70/747648370.db2.gz QTXGEVGEQQOHCG-KGLIPLIRSA-N 1 1 332.404 0.964 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)O)CC[C@@H]2C1 ZINC001088174541 747677099 /nfs/dbraw/zinc/67/70/99/747677099.db2.gz AJWDQUHGBDECBE-OAGGEKHMSA-N 1 1 343.427 0.868 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccnc3C(N)=O)C[C@@H]2C1 ZINC001088209298 747750248 /nfs/dbraw/zinc/75/02/48/747750248.db2.gz PSLNXMOPFXSORC-KGLIPLIRSA-N 1 1 326.400 0.598 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cncnc3)C2)C1=O ZINC001007229764 752209227 /nfs/dbraw/zinc/20/92/27/752209227.db2.gz ZQMGVHMOBMBKLD-HOTGVXAUSA-N 1 1 343.431 0.387 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3cncnc3)C2)C1=O ZINC001007229764 752209234 /nfs/dbraw/zinc/20/92/34/752209234.db2.gz ZQMGVHMOBMBKLD-HOTGVXAUSA-N 1 1 343.431 0.387 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001088226830 747773902 /nfs/dbraw/zinc/77/39/02/747773902.db2.gz XTLPBMVMQPIZGV-INIZCTEOSA-N 1 1 348.451 0.579 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC001088227677 747776412 /nfs/dbraw/zinc/77/64/12/747776412.db2.gz VJWQTBAIEHEXIN-OAHLLOKOSA-N 1 1 344.415 0.759 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001088234321 747803258 /nfs/dbraw/zinc/80/32/58/747803258.db2.gz ONFKVKSRBKBLKZ-KRWDZBQOSA-N 1 1 345.447 0.631 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 ZINC001088236272 747809388 /nfs/dbraw/zinc/80/93/88/747809388.db2.gz PWWWGQFBPCFVEQ-IRXDYDNUSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCn2cccc2)C1 ZINC001002825392 747837067 /nfs/dbraw/zinc/83/70/67/747837067.db2.gz DOETVMHVNPXDDX-KRWDZBQOSA-N 1 1 342.443 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCn2cccc2)C1 ZINC001002825392 747837072 /nfs/dbraw/zinc/83/70/72/747837072.db2.gz DOETVMHVNPXDDX-KRWDZBQOSA-N 1 1 342.443 0.550 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nccs2)C1 ZINC001002827079 747840651 /nfs/dbraw/zinc/84/06/51/747840651.db2.gz SVBGFQWWJQYWOM-ZDUSSCGKSA-N 1 1 332.429 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nccs2)C1 ZINC001002827079 747840658 /nfs/dbraw/zinc/84/06/58/747840658.db2.gz SVBGFQWWJQYWOM-ZDUSSCGKSA-N 1 1 332.429 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2ccccc2)C1 ZINC001002837204 747861006 /nfs/dbraw/zinc/86/10/06/747861006.db2.gz ZSVQQXIKKSDDHN-SFHVURJKSA-N 1 1 339.439 0.901 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cc2ccccc2)C1 ZINC001002837204 747861011 /nfs/dbraw/zinc/86/10/11/747861011.db2.gz ZSVQQXIKKSDDHN-SFHVURJKSA-N 1 1 339.439 0.901 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](CCNc2ccnc(C#N)n2)C1 ZINC001111612823 747882289 /nfs/dbraw/zinc/88/22/89/747882289.db2.gz KWDHJUGRURWOLU-CQSZACIVSA-N 1 1 330.436 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000979445552 747885166 /nfs/dbraw/zinc/88/51/66/747885166.db2.gz HBTHOIJEBWSFQN-VGWMRTNUSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000979445552 747885182 /nfs/dbraw/zinc/88/51/82/747885182.db2.gz HBTHOIJEBWSFQN-VGWMRTNUSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cnon1 ZINC001002870628 747902478 /nfs/dbraw/zinc/90/24/78/747902478.db2.gz FDMMVHNVGCIQKT-ZFWWWQNUSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cnon1 ZINC001002870628 747902479 /nfs/dbraw/zinc/90/24/79/747902479.db2.gz FDMMVHNVGCIQKT-ZFWWWQNUSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CCN1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001088239714 747935450 /nfs/dbraw/zinc/93/54/50/747935450.db2.gz DVBMWPHVCPOWGX-QZTJIDSGSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCN1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001088239714 747935457 /nfs/dbraw/zinc/93/54/57/747935457.db2.gz DVBMWPHVCPOWGX-QZTJIDSGSA-N 1 1 333.476 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001088240107 747942796 /nfs/dbraw/zinc/94/27/96/747942796.db2.gz PFKQUCOAYLWSNW-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cnns3)C2)C1=O ZINC001029659109 747993475 /nfs/dbraw/zinc/99/34/75/747993475.db2.gz OCLCGAKWWFJLPS-OLZOCXBDSA-N 1 1 349.460 0.719 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cscn2)C1 ZINC000979572605 748038282 /nfs/dbraw/zinc/03/82/82/748038282.db2.gz KPUPFUJYUCGXJA-YDHLFZDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cscn2)C1 ZINC000979572605 748038290 /nfs/dbraw/zinc/03/82/90/748038290.db2.gz KPUPFUJYUCGXJA-YDHLFZDLSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)CC1 ZINC000985463251 748116418 /nfs/dbraw/zinc/11/64/18/748116418.db2.gz CSOOUJZXYZIHAE-UHFFFAOYSA-N 1 1 327.388 0.844 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001003054906 748123083 /nfs/dbraw/zinc/12/30/83/748123083.db2.gz CGJOPWHXUGFWAY-KRWDZBQOSA-N 1 1 346.475 0.287 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3n[nH]cc3C)C2)C1=O ZINC001029735061 748177405 /nfs/dbraw/zinc/17/74/05/748177405.db2.gz CDZPJQWERTWGCC-CABCVRRESA-N 1 1 345.447 0.899 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001029737954 748192303 /nfs/dbraw/zinc/19/23/03/748192303.db2.gz QHDQADQCYIIPKR-AWEZNQCLSA-N 1 1 339.403 0.525 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)Cc1cccc(F)c1 ZINC000303990366 748197766 /nfs/dbraw/zinc/19/77/66/748197766.db2.gz YKWYMOZYVPNTFL-INIZCTEOSA-N 1 1 349.454 0.873 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC001003157555 748241430 /nfs/dbraw/zinc/24/14/30/748241430.db2.gz AYBPWHWTCCEIMJ-SJORKVTESA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC001003157555 748241434 /nfs/dbraw/zinc/24/14/34/748241434.db2.gz AYBPWHWTCCEIMJ-SJORKVTESA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC000979737290 748315816 /nfs/dbraw/zinc/31/58/16/748315816.db2.gz YTKBXKVLZZNTPW-IHRRRGAJSA-N 1 1 346.435 0.170 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001028291339 752260062 /nfs/dbraw/zinc/26/00/62/752260062.db2.gz CWFRAGJTGVMAIP-GFCCVEGCSA-N 1 1 325.372 0.948 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccn4nnnc34)C[C@H]2C1 ZINC000979756311 748370748 /nfs/dbraw/zinc/37/07/48/748370748.db2.gz ZYECTUNXQDGYGE-KKUMJFAQSA-N 1 1 338.415 0.978 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001027835453 748384093 /nfs/dbraw/zinc/38/40/93/748384093.db2.gz CROULDCOHHZFSG-HUUCEWRRSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCOCC3=O)C[C@@H]2C1 ZINC000979793428 748408851 /nfs/dbraw/zinc/40/88/51/748408851.db2.gz FSOJNZUFPWOIIM-ARFHVFGLSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC000979793522 748408881 /nfs/dbraw/zinc/40/88/81/748408881.db2.gz GWPXTTFFYNWDQK-JYJNAYRXSA-N 1 1 335.448 0.638 20 30 ECEDMO Cn1nnc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccc(C#N)cc3)C2)n1 ZINC001029806636 748504884 /nfs/dbraw/zinc/50/48/84/748504884.db2.gz OWYJFBJNQULQMG-HNNXBMFYSA-N 1 1 339.403 0.676 20 30 ECEDMO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)c1 ZINC001003431064 748548870 /nfs/dbraw/zinc/54/88/70/748548870.db2.gz HAZYCYLAEDJRFU-OAHLLOKOSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001027845097 748558968 /nfs/dbraw/zinc/55/89/68/748558968.db2.gz HJFBYPZUGZMYKQ-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001027845097 748558974 /nfs/dbraw/zinc/55/89/74/748558974.db2.gz HJFBYPZUGZMYKQ-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(C(C)C)CCO3)C[C@@]2(C)C1 ZINC000982475444 752281806 /nfs/dbraw/zinc/28/18/06/752281806.db2.gz MWPSZHAIFCUPMV-QRQLOZEOSA-N 1 1 333.476 0.899 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000985571315 748561905 /nfs/dbraw/zinc/56/19/05/748561905.db2.gz NURQNJFECKNHSD-UHFFFAOYSA-N 1 1 328.844 0.094 20 30 ECEDMO Cn1nnc(C(=O)NC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)n1 ZINC001003446758 748563212 /nfs/dbraw/zinc/56/32/12/748563212.db2.gz FJVRCBZGEPVTSA-UHFFFAOYSA-N 1 1 342.378 0.595 20 30 ECEDMO Cn1nnc(C(=O)NC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC001003447073 748564123 /nfs/dbraw/zinc/56/41/23/748564123.db2.gz OAJMRVGBSUHTIP-UHFFFAOYSA-N 1 1 343.366 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cncnc2)C1 ZINC000979966565 748746320 /nfs/dbraw/zinc/74/63/20/748746320.db2.gz AMISTTZCMDWQHQ-BPUTZDHNSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cncnc2)C1 ZINC000979966565 748746323 /nfs/dbraw/zinc/74/63/23/748746323.db2.gz AMISTTZCMDWQHQ-BPUTZDHNSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nc(OC)cc(OC)n3)C[C@H]2C1 ZINC000979985541 748779872 /nfs/dbraw/zinc/77/98/72/748779872.db2.gz KLKCFPXMNVLGLI-IHRRRGAJSA-N 1 1 344.415 0.957 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]2C1 ZINC000979986488 748780882 /nfs/dbraw/zinc/78/08/82/748780882.db2.gz LFYYOKPVGPQWDD-XHSDSOJGSA-N 1 1 340.427 0.573 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001059625542 748883571 /nfs/dbraw/zinc/88/35/71/748883571.db2.gz BMPAJSFISXHIRD-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001059625542 748883574 /nfs/dbraw/zinc/88/35/74/748883574.db2.gz BMPAJSFISXHIRD-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nnc(C)o3)C2)nn1 ZINC001029860011 748959758 /nfs/dbraw/zinc/95/97/58/748959758.db2.gz LGGDYLIWRKITSH-CYBMUJFWSA-N 1 1 345.407 0.750 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nnc(C)o3)C2)nn1 ZINC001029860011 748959762 /nfs/dbraw/zinc/95/97/62/748959762.db2.gz LGGDYLIWRKITSH-CYBMUJFWSA-N 1 1 345.407 0.750 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCN(C)C3=O)C2)nn1 ZINC001029860195 748962638 /nfs/dbraw/zinc/96/26/38/748962638.db2.gz NZENNMPHAVXSEG-HIFRSBDPSA-N 1 1 346.435 0.089 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000985741186 748988338 /nfs/dbraw/zinc/98/83/38/748988338.db2.gz HBPYVPMTZYSINZ-AWEZNQCLSA-N 1 1 326.462 0.757 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)[C@H](CC)C(N)=O)CC2)cn1 ZINC000985757632 749020213 /nfs/dbraw/zinc/02/02/13/749020213.db2.gz RYDOJVIXUFLEEB-MRXNPFEDSA-N 1 1 328.416 0.863 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C)c(C(N)=O)cn3)C[C@H]2C1 ZINC000980152805 749076449 /nfs/dbraw/zinc/07/64/49/749076449.db2.gz GADCQXXNHOSHJP-KKUMJFAQSA-N 1 1 340.427 0.952 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001059648293 749113242 /nfs/dbraw/zinc/11/32/42/749113242.db2.gz QAHMCMLGSWLGFG-ZBFHGGJFSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nnnc3C(C)C)C[C@H]2C1 ZINC000980181354 749117776 /nfs/dbraw/zinc/11/77/76/749117776.db2.gz DAKCVESSBJBECJ-KKUMJFAQSA-N 1 1 330.436 0.646 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1cnc(C#N)cn1 ZINC001126254218 749131475 /nfs/dbraw/zinc/13/14/75/749131475.db2.gz DTMQTDUPHFJCIG-CQSZACIVSA-N 1 1 332.408 0.011 20 30 ECEDMO NC(=O)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C1 ZINC000980184287 749132163 /nfs/dbraw/zinc/13/21/63/749132163.db2.gz HBFDQNYDDCVVCI-GVDBMIGSSA-N 1 1 325.412 0.740 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)CC1 ZINC000985824497 749177353 /nfs/dbraw/zinc/17/73/53/749177353.db2.gz GKYCQFHCVBIQEV-HNNXBMFYSA-N 1 1 333.436 0.604 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001059657346 749186318 /nfs/dbraw/zinc/18/63/18/749186318.db2.gz REDRBJIRHFSZSV-MJBXVCDLSA-N 1 1 328.420 0.704 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 ZINC000980228982 749224937 /nfs/dbraw/zinc/22/49/37/749224937.db2.gz GXXUAEIHJCWJJN-SOUVJXGZSA-N 1 1 333.436 0.293 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)C[C@@H]2C1 ZINC000980236492 749237530 /nfs/dbraw/zinc/23/75/30/749237530.db2.gz NCMSKGIHVYQDIJ-ZNMIVQPWSA-N 1 1 328.416 0.634 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980252743 749258704 /nfs/dbraw/zinc/25/87/04/749258704.db2.gz LERFMOLUELXJMR-MJBXVCDLSA-N 1 1 346.431 0.892 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CCN(C(N)=O)CC3)C[C@H]2C1 ZINC000980252754 749258861 /nfs/dbraw/zinc/25/88/61/749258861.db2.gz LHLKIZJVHVQNGC-JYJNAYRXSA-N 1 1 332.448 0.627 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN([C@@H](C)C(=O)NC)CC2)CC1 ZINC001004200564 749306980 /nfs/dbraw/zinc/30/69/80/749306980.db2.gz CYXSIGHFZZZJON-AWEZNQCLSA-N 1 1 334.464 0.047 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC000980313891 749353580 /nfs/dbraw/zinc/35/35/80/749353580.db2.gz VAHIANVPUGEZAI-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnccn3)[C@H]2C)C1=O ZINC001088451697 749372702 /nfs/dbraw/zinc/37/27/02/749372702.db2.gz YEERSBVQFWREFJ-IPYPFGDCSA-N 1 1 329.404 0.456 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnccn3)[C@H]2C)C1=O ZINC001088451697 749372706 /nfs/dbraw/zinc/37/27/06/749372706.db2.gz YEERSBVQFWREFJ-IPYPFGDCSA-N 1 1 329.404 0.456 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COC[C@@H]3CCOC3)C2)nn1 ZINC001098739718 749425439 /nfs/dbraw/zinc/42/54/39/749425439.db2.gz IKEOONUFKCXNKD-GDBMZVCRSA-N 1 1 349.435 0.380 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCCNC3=O)C2)nc1 ZINC001029889794 749445740 /nfs/dbraw/zinc/44/57/40/749445740.db2.gz PCHJLFUWXCHRBF-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)cn1 ZINC001029891150 749460384 /nfs/dbraw/zinc/46/03/84/749460384.db2.gz BYNOMNKGQHOEGB-BBRMVZONSA-N 1 1 326.400 0.345 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@H+]2Cc2nnnn2C)CC1 ZINC001004394682 749462479 /nfs/dbraw/zinc/46/24/79/749462479.db2.gz HEDXRFDPODEUIS-OCCSQVGLSA-N 1 1 331.424 0.573 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCCNC3=O)C2)cn1 ZINC001029892048 749467059 /nfs/dbraw/zinc/46/70/59/749467059.db2.gz NZBXSSCABUUPCE-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC001004441118 749500784 /nfs/dbraw/zinc/50/07/84/749500784.db2.gz AYGJVZXPKQBOPV-XJKSGUPXSA-N 1 1 340.427 0.449 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001004454955 749519325 /nfs/dbraw/zinc/51/93/25/749519325.db2.gz BDKQDSIJGWBPRN-MRXNPFEDSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001027935074 749602546 /nfs/dbraw/zinc/60/25/46/749602546.db2.gz CUFUKOITUMEDCA-OAHLLOKOSA-N 1 1 345.447 0.894 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)[C@@H]3CCCNC3=O)C2)CC1 ZINC000980477354 749630183 /nfs/dbraw/zinc/63/01/83/749630183.db2.gz FFRZQBFIVVJDEE-IAGOWNOFSA-N 1 1 346.475 0.143 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)n1 ZINC000986189799 749648711 /nfs/dbraw/zinc/64/87/11/749648711.db2.gz XNEGEOJDULTDSP-IAQYHMDHSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001004576050 749649223 /nfs/dbraw/zinc/64/92/23/749649223.db2.gz LLCFIRLVCSSKFL-HNNXBMFYSA-N 1 1 331.416 0.375 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001004577031 749650479 /nfs/dbraw/zinc/65/04/79/749650479.db2.gz FYIMGIFTVPNKES-LSDHHAIUSA-N 1 1 348.447 0.864 20 30 ECEDMO C=CCOc1ccc(CC(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)cc1 ZINC000980500684 749657289 /nfs/dbraw/zinc/65/72/89/749657289.db2.gz MRFKXSMNVIMWNK-OAHLLOKOSA-N 1 1 331.416 0.812 20 30 ECEDMO C=CCOc1ccc(CC(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)cc1 ZINC000980500684 749657291 /nfs/dbraw/zinc/65/72/91/749657291.db2.gz MRFKXSMNVIMWNK-OAHLLOKOSA-N 1 1 331.416 0.812 20 30 ECEDMO C=CCOc1ccc(CC(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)cc1 ZINC000980500683 749657752 /nfs/dbraw/zinc/65/77/52/749657752.db2.gz MRFKXSMNVIMWNK-HNNXBMFYSA-N 1 1 331.416 0.812 20 30 ECEDMO C=CCOc1ccc(CC(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)cc1 ZINC000980500683 749657756 /nfs/dbraw/zinc/65/77/56/749657756.db2.gz MRFKXSMNVIMWNK-HNNXBMFYSA-N 1 1 331.416 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnn3C)[C@H]2C)C1=O ZINC001088489708 749686564 /nfs/dbraw/zinc/68/65/64/749686564.db2.gz MWYZGPYZOQAWQW-VNHYZAJKSA-N 1 1 331.420 0.400 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnn3C)[C@H]2C)C1=O ZINC001088489708 749686568 /nfs/dbraw/zinc/68/65/68/749686568.db2.gz MWYZGPYZOQAWQW-VNHYZAJKSA-N 1 1 331.420 0.400 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001058847371 750126094 /nfs/dbraw/zinc/12/60/94/750126094.db2.gz QMQDBMINPQJNLO-MRXNPFEDSA-N 1 1 349.475 0.459 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cn3cc(C)cn3)CC2)C1=O ZINC000980792648 750150712 /nfs/dbraw/zinc/15/07/12/750150712.db2.gz RBQJCXOLRGSJJN-INIZCTEOSA-N 1 1 345.447 0.513 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cn3cc(C)cn3)CC2)C1=O ZINC000980792648 750150718 /nfs/dbraw/zinc/15/07/18/750150718.db2.gz RBQJCXOLRGSJJN-INIZCTEOSA-N 1 1 345.447 0.513 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001058849070 750168625 /nfs/dbraw/zinc/16/86/25/750168625.db2.gz NYVNRMRGDCJEPW-HZPDHXFCSA-N 1 1 337.464 0.315 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3cc(C)n[nH]3)CC2)C1=O ZINC000980951663 750380961 /nfs/dbraw/zinc/38/09/61/750380961.db2.gz MOPDJSPIQSWQEG-MRXNPFEDSA-N 1 1 345.447 0.582 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3cc(C)n[nH]3)CC2)C1=O ZINC000980951663 750380967 /nfs/dbraw/zinc/38/09/67/750380967.db2.gz MOPDJSPIQSWQEG-MRXNPFEDSA-N 1 1 345.447 0.582 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001075885394 750436839 /nfs/dbraw/zinc/43/68/39/750436839.db2.gz UVEJAGGKODSBGL-GOEBONIOSA-N 1 1 330.432 0.909 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001075885394 750436840 /nfs/dbraw/zinc/43/68/40/750436840.db2.gz UVEJAGGKODSBGL-GOEBONIOSA-N 1 1 330.432 0.909 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC(=O)NCC)C2)nn1 ZINC001098640174 750475740 /nfs/dbraw/zinc/47/57/40/750475740.db2.gz FSOQDLMITCPWQW-HNNXBMFYSA-N 1 1 348.451 0.634 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnn(C)n3)[C@@H]2C)nn1 ZINC000987169978 750543528 /nfs/dbraw/zinc/54/35/28/750543528.db2.gz RNFJVLSCWFEOAP-JSGCOSHPSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981337086 750603549 /nfs/dbraw/zinc/60/35/49/750603549.db2.gz GFPZSAUVGFPOOS-AWEZNQCLSA-N 1 1 344.415 0.627 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981337086 750603554 /nfs/dbraw/zinc/60/35/54/750603554.db2.gz GFPZSAUVGFPOOS-AWEZNQCLSA-N 1 1 344.415 0.627 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001005938921 750821608 /nfs/dbraw/zinc/82/16/08/750821608.db2.gz NQDSZRQIQJECRZ-QWHCGFSZSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001005940088 750823142 /nfs/dbraw/zinc/82/31/42/750823142.db2.gz QSTUAPYIIFEAEX-NWDGAFQWSA-N 1 1 329.404 0.415 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001005941573 750824737 /nfs/dbraw/zinc/82/47/37/750824737.db2.gz BDEKVOYHWUWTKI-OLZOCXBDSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000987447422 750847463 /nfs/dbraw/zinc/84/74/63/750847463.db2.gz DEFPGKRIJNYXPY-OSAQELSMSA-N 1 1 329.404 0.700 20 30 ECEDMO Cc1nc(NC[C@H](O)CNC(=O)c2c[nH]c(C#N)c2)c(C)c(C)[nH+]1 ZINC001105830728 762085666 /nfs/dbraw/zinc/08/56/66/762085666.db2.gz KZHSFLMLNWIPMT-AWEZNQCLSA-N 1 1 328.376 0.804 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CCC[N@@H+](CCn2cncn2)C3)c1 ZINC000981696301 750982766 /nfs/dbraw/zinc/98/27/66/750982766.db2.gz XBFPBHAWMLAWEC-UHFFFAOYSA-N 1 1 339.403 0.716 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000981720853 751012658 /nfs/dbraw/zinc/01/26/58/751012658.db2.gz UYZJWZXWBZZXLB-UHFFFAOYSA-N 1 1 327.388 0.054 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000981720853 751012667 /nfs/dbraw/zinc/01/26/67/751012667.db2.gz UYZJWZXWBZZXLB-UHFFFAOYSA-N 1 1 327.388 0.054 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001006110501 751023715 /nfs/dbraw/zinc/02/37/15/751023715.db2.gz CWDPPMZDEBZVTB-VXGBXAGGSA-N 1 1 329.404 0.415 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)Cc3nnn(C(C)(C)C)n3)C2)C1 ZINC000981789729 751105062 /nfs/dbraw/zinc/10/50/62/751105062.db2.gz OROLVAKCYGYGFI-UHFFFAOYSA-N 1 1 330.436 0.528 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cc[nH]c2)C1 ZINC001006228296 751133499 /nfs/dbraw/zinc/13/34/99/751133499.db2.gz HWZOANJEIDCJBF-CJNGLKHVSA-N 1 1 328.416 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cc[nH]c2)C1 ZINC001006228296 751133503 /nfs/dbraw/zinc/13/35/03/751133503.db2.gz HWZOANJEIDCJBF-CJNGLKHVSA-N 1 1 328.416 0.689 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCC3)CC2)nc1 ZINC001006304340 751222822 /nfs/dbraw/zinc/22/28/22/751222822.db2.gz YIASVQGBUZWWCB-UHFFFAOYSA-N 1 1 340.427 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001006312202 751230216 /nfs/dbraw/zinc/23/02/16/751230216.db2.gz AGPVBTSZZKFWSX-YOEHRIQHSA-N 1 1 342.443 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2ccc[nH]2)C1 ZINC001006312202 751230221 /nfs/dbraw/zinc/23/02/21/751230221.db2.gz AGPVBTSZZKFWSX-YOEHRIQHSA-N 1 1 342.443 0.618 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000987828344 751243380 /nfs/dbraw/zinc/24/33/80/751243380.db2.gz ZSTZGGYCGKXWEI-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2ccon2)C1 ZINC001006321979 751244150 /nfs/dbraw/zinc/24/41/50/751244150.db2.gz SVYJHGIUJUJOGY-CJNGLKHVSA-N 1 1 344.415 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2ccon2)C1 ZINC001006321979 751244154 /nfs/dbraw/zinc/24/41/54/751244154.db2.gz SVYJHGIUJUJOGY-CJNGLKHVSA-N 1 1 344.415 0.278 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2conc2C)C1 ZINC001006321722 751244367 /nfs/dbraw/zinc/24/43/67/751244367.db2.gz RSTBJZQLWLRPJN-WBMJQRKESA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2conc2C)C1 ZINC001006321722 751244383 /nfs/dbraw/zinc/24/43/83/751244383.db2.gz RSTBJZQLWLRPJN-WBMJQRKESA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccon2)C1 ZINC001006323579 751245797 /nfs/dbraw/zinc/24/57/97/751245797.db2.gz XSZQYFPKEGGMOR-DOMZBBRYSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccon2)C1 ZINC001006323579 751245800 /nfs/dbraw/zinc/24/58/00/751245800.db2.gz XSZQYFPKEGGMOR-DOMZBBRYSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccns2)C1 ZINC001006323743 751245882 /nfs/dbraw/zinc/24/58/82/751245882.db2.gz ZRAJPUNZGAJLFU-JSGCOSHPSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccns2)C1 ZINC001006323743 751245887 /nfs/dbraw/zinc/24/58/87/751245887.db2.gz ZRAJPUNZGAJLFU-JSGCOSHPSA-N 1 1 346.456 0.817 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001006341416 751264922 /nfs/dbraw/zinc/26/49/22/751264922.db2.gz LZCGIUMKPIETKY-UMVBOHGHSA-N 1 1 337.464 0.881 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001006341416 751264927 /nfs/dbraw/zinc/26/49/27/751264927.db2.gz LZCGIUMKPIETKY-UMVBOHGHSA-N 1 1 337.464 0.881 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N1CCOCC1)C2 ZINC000981937802 751304576 /nfs/dbraw/zinc/30/45/76/751304576.db2.gz NOOKWOVAYJMEMN-UHFFFAOYSA-N 1 1 349.475 0.982 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)N1CCOCC1)C2 ZINC000981937802 751304580 /nfs/dbraw/zinc/30/45/80/751304580.db2.gz NOOKWOVAYJMEMN-UHFFFAOYSA-N 1 1 349.475 0.982 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C2)nn1 ZINC001105363087 752327323 /nfs/dbraw/zinc/32/73/23/752327323.db2.gz QRMLIONGIVFBOQ-ZDUSSCGKSA-N 1 1 349.439 0.020 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(n3cc(C[NH2+]CCOC)nn3)C2)nc1 ZINC001105363187 752341961 /nfs/dbraw/zinc/34/19/61/752341961.db2.gz SQYKMRXZWZMNMR-UHFFFAOYSA-N 1 1 340.387 0.088 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988619092 752385486 /nfs/dbraw/zinc/38/54/86/752385486.db2.gz FMCXHGSHJMBACA-GXFFZTMASA-N 1 1 340.391 0.601 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCN2[C@H](C)C(=O)N(C)C)CC1 ZINC001028333103 752401602 /nfs/dbraw/zinc/40/16/02/752401602.db2.gz DQXFYOFOOJCEIW-NVXWUHKLSA-N 1 1 348.491 0.389 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC000988631436 752429436 /nfs/dbraw/zinc/42/94/36/752429436.db2.gz GYHXYXKUYCXFBM-SMDDNHRTSA-N 1 1 327.392 0.891 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCC(=O)NCCC)C2)nn1 ZINC001105365312 752444825 /nfs/dbraw/zinc/44/48/25/752444825.db2.gz MGGVGPNZUOKFMK-UHFFFAOYSA-N 1 1 334.424 0.243 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000988643331 752456988 /nfs/dbraw/zinc/45/69/88/752456988.db2.gz FBLLCMRAACBFAZ-AAEUAGOBSA-N 1 1 342.407 0.676 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001059912173 752468690 /nfs/dbraw/zinc/46/86/90/752468690.db2.gz XERHBNNOUQRUJN-WMLDXEAASA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3ccc(C#N)nc3)C2)C1 ZINC001059912173 752468692 /nfs/dbraw/zinc/46/86/92/752468692.db2.gz XERHBNNOUQRUJN-WMLDXEAASA-N 1 1 343.431 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccncc3)C2)C1=O ZINC001028374881 752502904 /nfs/dbraw/zinc/50/29/04/752502904.db2.gz NUOBXSFLMRADMJ-GOEBONIOSA-N 1 1 328.416 0.920 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001007545166 752505459 /nfs/dbraw/zinc/50/54/59/752505459.db2.gz FALFKRXJXVGEET-KGLIPLIRSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001007545166 752505462 /nfs/dbraw/zinc/50/54/62/752505462.db2.gz FALFKRXJXVGEET-KGLIPLIRSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C)no3)C2)C1=O ZINC001028403418 752550849 /nfs/dbraw/zinc/55/08/49/752550849.db2.gz JDDHUTCFDBDLRJ-ZIAGYGMSSA-N 1 1 332.404 0.822 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1ncnn1-c1ccccc1 ZINC001126366189 752565012 /nfs/dbraw/zinc/56/50/12/752565012.db2.gz SHYBOUNUXBTNFM-KRWDZBQOSA-N 1 1 329.404 0.800 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001098644749 752587198 /nfs/dbraw/zinc/58/71/98/752587198.db2.gz DUEUIECZDUSBDY-CVEARBPZSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644749 752587202 /nfs/dbraw/zinc/58/72/02/752587202.db2.gz DUEUIECZDUSBDY-CVEARBPZSA-N 1 1 330.436 0.259 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001087457556 752733082 /nfs/dbraw/zinc/73/30/82/752733082.db2.gz GZJQENYJGJXQOT-OWCLPIDISA-N 1 1 346.406 0.967 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001087457556 752733089 /nfs/dbraw/zinc/73/30/89/752733089.db2.gz GZJQENYJGJXQOT-OWCLPIDISA-N 1 1 346.406 0.967 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c1 ZINC001028467530 752760830 /nfs/dbraw/zinc/76/08/30/752760830.db2.gz DMXNXOVCQIGZLV-KGLIPLIRSA-N 1 1 343.431 0.854 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CC1)CCO2 ZINC001007674933 752765091 /nfs/dbraw/zinc/76/50/91/752765091.db2.gz NHAZEVFDNZOGAN-QFBILLFUSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CC1)CCO2 ZINC001007674933 752765097 /nfs/dbraw/zinc/76/50/97/752765097.db2.gz NHAZEVFDNZOGAN-QFBILLFUSA-N 1 1 345.443 0.324 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC001028469180 752765464 /nfs/dbraw/zinc/76/54/64/752765464.db2.gz NGPBOBTXXWLZAU-ZDUSSCGKSA-N 1 1 329.404 0.560 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001007678401 752770672 /nfs/dbraw/zinc/77/06/72/752770672.db2.gz VVIKDACKLXNWEX-CXAGYDPISA-N 1 1 345.403 0.181 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccn(C)c3)C2)C1=O ZINC001028481394 752810858 /nfs/dbraw/zinc/81/08/58/752810858.db2.gz WXUFSCNWSNOQEY-GDBMZVCRSA-N 1 1 330.432 0.864 20 30 ECEDMO Cn1nccc1CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028487583 752822498 /nfs/dbraw/zinc/82/24/98/752822498.db2.gz ZFPPDLUZUBZMHS-ZDUSSCGKSA-N 1 1 326.404 0.914 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001028490333 752830208 /nfs/dbraw/zinc/83/02/08/752830208.db2.gz KGSRAFDGXYJXCT-CHWSQXEVSA-N 1 1 346.269 0.664 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001028490333 752830216 /nfs/dbraw/zinc/83/02/16/752830216.db2.gz KGSRAFDGXYJXCT-CHWSQXEVSA-N 1 1 346.269 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000982541206 752830702 /nfs/dbraw/zinc/83/07/02/752830702.db2.gz KRXXLSGPWGYXFV-RDJZCZTQSA-N 1 1 345.443 0.743 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000982541206 752830709 /nfs/dbraw/zinc/83/07/09/752830709.db2.gz KRXXLSGPWGYXFV-RDJZCZTQSA-N 1 1 345.443 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000982551717 752875085 /nfs/dbraw/zinc/87/50/85/752875085.db2.gz DUAJIVDBXWURHC-HOCLYGCPSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000982551717 752875090 /nfs/dbraw/zinc/87/50/90/752875090.db2.gz DUAJIVDBXWURHC-HOCLYGCPSA-N 1 1 343.431 0.394 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)no1 ZINC001058999374 752877651 /nfs/dbraw/zinc/87/76/51/752877651.db2.gz SQXVGPFAOPZBCS-NSHDSACASA-N 1 1 341.375 0.724 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001007772816 752918886 /nfs/dbraw/zinc/91/88/86/752918886.db2.gz ALXOWICVFAYGIX-INIZCTEOSA-N 1 1 331.416 0.712 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3sccn3c2=O)C1 ZINC001007848710 752988245 /nfs/dbraw/zinc/98/82/45/752988245.db2.gz JVEPSRBADNELEQ-LBPRGKRZSA-N 1 1 330.413 0.974 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000982603445 753030858 /nfs/dbraw/zinc/03/08/58/753030858.db2.gz JHHLLHFFEXCXPP-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCCN(CCOC)c1ccnc(C#N)n1 ZINC001126380031 753098615 /nfs/dbraw/zinc/09/86/15/753098615.db2.gz HGYZQDCPLIPBJE-UHFFFAOYSA-N 1 1 348.451 0.649 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001028548820 753110574 /nfs/dbraw/zinc/11/05/74/753110574.db2.gz HVSNASPGSQEOER-XHSDSOJGSA-N 1 1 335.448 0.638 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1 ZINC001008026769 753210652 /nfs/dbraw/zinc/21/06/52/753210652.db2.gz XJWUSZFORONIRX-DZGCQCFKSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001008052925 753244053 /nfs/dbraw/zinc/24/40/53/753244053.db2.gz QABYSYRGMFKSGB-ZDUSSCGKSA-N 1 1 327.392 0.828 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001008055941 753246656 /nfs/dbraw/zinc/24/66/56/753246656.db2.gz GQKNZMNUJUIJIT-CYBMUJFWSA-N 1 1 327.388 0.549 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001008055942 753246726 /nfs/dbraw/zinc/24/67/26/753246726.db2.gz GQKNZMNUJUIJIT-ZDUSSCGKSA-N 1 1 327.388 0.549 20 30 ECEDMO C[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261752406 753258671 /nfs/dbraw/zinc/25/86/71/753258671.db2.gz MAJVPJQCJNGRMN-GDBMZVCRSA-N 1 1 337.512 0.745 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462738 753370043 /nfs/dbraw/zinc/37/00/43/753370043.db2.gz XQNNLNXDMACHRJ-NXHRZFHOSA-N 1 1 333.476 0.826 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001008143277 753372584 /nfs/dbraw/zinc/37/25/84/753372584.db2.gz BKPHMPITCBWDGT-JKSUJKDBSA-N 1 1 339.395 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001008143277 753372586 /nfs/dbraw/zinc/37/25/86/753372586.db2.gz BKPHMPITCBWDGT-JKSUJKDBSA-N 1 1 339.395 0.667 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)C1 ZINC001008170481 753411896 /nfs/dbraw/zinc/41/18/96/753411896.db2.gz KKVMCHOSPHNHHZ-WFASDCNBSA-N 1 1 343.431 0.805 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001008175763 753422553 /nfs/dbraw/zinc/42/25/53/753422553.db2.gz JHHPEUMISFCZBO-JKSUJKDBSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001008175763 753422557 /nfs/dbraw/zinc/42/25/57/753422557.db2.gz JHHPEUMISFCZBO-JKSUJKDBSA-N 1 1 341.415 0.662 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccnn2C)[C@@H]1C ZINC001088631271 753431391 /nfs/dbraw/zinc/43/13/91/753431391.db2.gz BXVPOFZIXWVWGN-NJAFHUGGSA-N 1 1 343.475 0.639 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnc(C)nc2)[C@@H]1C ZINC001088631631 753431436 /nfs/dbraw/zinc/43/14/36/753431436.db2.gz XLXXQIUFIKTRBD-JLSDUUJJSA-N 1 1 341.459 0.962 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)nc2)[C@@H]1C ZINC001088631631 753431442 /nfs/dbraw/zinc/43/14/42/753431442.db2.gz XLXXQIUFIKTRBD-JLSDUUJJSA-N 1 1 341.459 0.962 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)[C@@H]1C ZINC001088630891 753442795 /nfs/dbraw/zinc/44/27/95/753442795.db2.gz GHYUIXZLYRVVGK-PVAVHDDUSA-N 1 1 329.448 0.597 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)[C@@H]1C ZINC001088630891 753442801 /nfs/dbraw/zinc/44/28/01/753442801.db2.gz GHYUIXZLYRVVGK-PVAVHDDUSA-N 1 1 329.448 0.597 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059039347 753524810 /nfs/dbraw/zinc/52/48/10/753524810.db2.gz BBBPJKDWNARWES-ZFWWWQNUSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059039347 753524815 /nfs/dbraw/zinc/52/48/15/753524815.db2.gz BBBPJKDWNARWES-ZFWWWQNUSA-N 1 1 344.419 0.470 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2nc(C#N)c(Cl)s2)C1 ZINC001105852991 762222173 /nfs/dbraw/zinc/22/21/73/762222173.db2.gz DNEPAMVWHDTLNS-RKDXNWHRSA-N 1 1 343.840 0.509 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCOC3)[C@@H](O)C2)cc1 ZINC001083368359 753702980 /nfs/dbraw/zinc/70/29/80/753702980.db2.gz KXICGOTUPBTPFL-BBWFWOEESA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCOC3)[C@@H](O)C2)cc1 ZINC001083368359 753702984 /nfs/dbraw/zinc/70/29/84/753702984.db2.gz KXICGOTUPBTPFL-BBWFWOEESA-N 1 1 329.400 0.646 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001028593763 753764091 /nfs/dbraw/zinc/76/40/91/753764091.db2.gz SZEBNFJPMIMARK-HOCLYGCPSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001098685330 753765237 /nfs/dbraw/zinc/76/52/37/753765237.db2.gz FKISEEJOYSVZNE-DLBZAZTESA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685330 753765244 /nfs/dbraw/zinc/76/52/44/753765244.db2.gz FKISEEJOYSVZNE-DLBZAZTESA-N 1 1 344.463 0.649 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3cccc(=O)[nH]3)[C@@H](O)C2)c1 ZINC001083388711 753766759 /nfs/dbraw/zinc/76/67/59/753766759.db2.gz GNEMRMUXFALSAI-CVEARBPZSA-N 1 1 338.367 0.634 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3cccc(=O)[nH]3)[C@@H](O)C2)c1 ZINC001083388711 753766762 /nfs/dbraw/zinc/76/67/62/753766762.db2.gz GNEMRMUXFALSAI-CVEARBPZSA-N 1 1 338.367 0.634 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001008538218 753884907 /nfs/dbraw/zinc/88/49/07/753884907.db2.gz GKWMISMGCGZGII-CQSZACIVSA-N 1 1 330.432 0.741 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001008538218 753884915 /nfs/dbraw/zinc/88/49/15/753884915.db2.gz GKWMISMGCGZGII-CQSZACIVSA-N 1 1 330.432 0.741 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001075941448 753901679 /nfs/dbraw/zinc/90/16/79/753901679.db2.gz VERURGHUKHQQAM-XJKSGUPXSA-N 1 1 328.416 0.782 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001028603840 753901957 /nfs/dbraw/zinc/90/19/57/753901957.db2.gz JHYIBAIZHVGFPG-HZPDHXFCSA-N 1 1 327.432 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1cc(COC)ncn1 ZINC001105599336 753971653 /nfs/dbraw/zinc/97/16/53/753971653.db2.gz UVSXTFCYIMFGIA-INIZCTEOSA-N 1 1 345.447 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1cc(COC)ncn1 ZINC001105599336 753971661 /nfs/dbraw/zinc/97/16/61/753971661.db2.gz UVSXTFCYIMFGIA-INIZCTEOSA-N 1 1 345.447 0.615 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001008740020 754062148 /nfs/dbraw/zinc/06/21/48/754062148.db2.gz WPAXVWUFWYDZHC-CYBMUJFWSA-N 1 1 330.392 0.048 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@H+](CCN3CCCC3=O)CC2)nc1 ZINC000989512233 754063420 /nfs/dbraw/zinc/06/34/20/754063420.db2.gz AWJJXVKVBQCTSM-UHFFFAOYSA-N 1 1 340.427 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+](CCN3CCCC3=O)CC2)nc1 ZINC000989512233 754063422 /nfs/dbraw/zinc/06/34/22/754063422.db2.gz AWJJXVKVBQCTSM-UHFFFAOYSA-N 1 1 340.427 0.833 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3ncccn3)C[C@H]2C)nn1 ZINC000989535418 754078127 /nfs/dbraw/zinc/07/81/27/754078127.db2.gz AZMUWLXMMNGJMO-CHWSQXEVSA-N 1 1 327.392 0.647 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C[C@H]2C)nn1 ZINC000989535419 754078494 /nfs/dbraw/zinc/07/84/94/754078494.db2.gz AZMUWLXMMNGJMO-OLZOCXBDSA-N 1 1 327.392 0.647 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001008813482 754145967 /nfs/dbraw/zinc/14/59/67/754145967.db2.gz GCIHELUUGBWWRT-HIFRSBDPSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001008813482 754145969 /nfs/dbraw/zinc/14/59/69/754145969.db2.gz GCIHELUUGBWWRT-HIFRSBDPSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cccn3)C2)nn1 ZINC001008822850 754159060 /nfs/dbraw/zinc/15/90/60/754159060.db2.gz CLUZPWIVPHUYGN-OAHLLOKOSA-N 1 1 343.435 0.945 20 30 ECEDMO CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC001051523663 762274201 /nfs/dbraw/zinc/27/42/01/762274201.db2.gz IPIQZWQXNBLVPR-CQSZACIVSA-N 1 1 343.391 0.129 20 30 ECEDMO Cc1nc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)co1 ZINC001051524060 762275066 /nfs/dbraw/zinc/27/50/66/762275066.db2.gz PIDDJYPHZLLGTE-AWEZNQCLSA-N 1 1 329.360 0.814 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cnco2)C1 ZINC000982920667 754199156 /nfs/dbraw/zinc/19/91/56/754199156.db2.gz FMHMUHOYUWMSGT-KGLIPLIRSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cnco2)C1 ZINC000982920667 754199157 /nfs/dbraw/zinc/19/91/57/754199157.db2.gz FMHMUHOYUWMSGT-KGLIPLIRSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2csnn2)C1 ZINC000982921181 754199807 /nfs/dbraw/zinc/19/98/07/754199807.db2.gz GUDSPSNJDQPUGL-OCCSQVGLSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2csnn2)C1 ZINC000982921181 754199813 /nfs/dbraw/zinc/19/98/13/754199813.db2.gz GUDSPSNJDQPUGL-OCCSQVGLSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccccn2)C1 ZINC000982923985 754208670 /nfs/dbraw/zinc/20/86/70/754208670.db2.gz SPHVOGKTVAMIFI-WBVHZDCISA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccccn2)C1 ZINC000982923985 754208676 /nfs/dbraw/zinc/20/86/76/754208676.db2.gz SPHVOGKTVAMIFI-WBVHZDCISA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001008960153 754361342 /nfs/dbraw/zinc/36/13/42/754361342.db2.gz RSZLBBXITPNKGN-KSWRQPAISA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001008960153 754361348 /nfs/dbraw/zinc/36/13/48/754361348.db2.gz RSZLBBXITPNKGN-KSWRQPAISA-N 1 1 345.443 0.084 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]CCn3cccn3)C[C@@H]2C)CC1 ZINC000989828772 754498376 /nfs/dbraw/zinc/49/83/76/754498376.db2.gz IPAWCURUHCIMRD-FUHWJXTLSA-N 1 1 343.475 0.807 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN(CCOC)c1cncc(C#N)n1 ZINC001126403914 754532189 /nfs/dbraw/zinc/53/21/89/754532189.db2.gz VKAGUMVTLMTJIL-UHFFFAOYSA-N 1 1 334.424 0.259 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)nn1 ZINC001098687611 754640807 /nfs/dbraw/zinc/64/08/07/754640807.db2.gz BEVNJJFLGLVGEM-HNNXBMFYSA-N 1 1 342.403 0.340 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3ncccc3C#N)C2)C1 ZINC001060007459 754701720 /nfs/dbraw/zinc/70/17/20/754701720.db2.gz NAQSXWAGVASVPP-GDBMZVCRSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CNc3ncccc3C#N)C2)C1 ZINC001060007459 754701724 /nfs/dbraw/zinc/70/17/24/754701724.db2.gz NAQSXWAGVASVPP-GDBMZVCRSA-N 1 1 343.431 0.934 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC001075947198 754734922 /nfs/dbraw/zinc/73/49/22/754734922.db2.gz QDEVUIIBCZBABY-GOEBONIOSA-N 1 1 326.400 0.279 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC001088702600 754776557 /nfs/dbraw/zinc/77/65/57/754776557.db2.gz YNVMCBIVGGPSIA-MNOVXSKESA-N 1 1 325.390 0.143 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990162778 754788274 /nfs/dbraw/zinc/78/82/74/754788274.db2.gz PJCNXBDJSBKMMN-KEYYUXOJSA-N 1 1 329.404 0.877 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990165912 754794915 /nfs/dbraw/zinc/79/49/15/754794915.db2.gz ZBXTWWFVBDWNMQ-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001028712865 754796349 /nfs/dbraw/zinc/79/63/49/754796349.db2.gz DFAINDCDQACYAJ-ZDUSSCGKSA-N 1 1 325.376 0.132 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3csnn3)C2)C1=O ZINC001028720071 754834234 /nfs/dbraw/zinc/83/42/34/754834234.db2.gz PLDAKJLYZCONIK-DGCLKSJQSA-N 1 1 335.433 0.377 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)C1=O ZINC000990286412 754922801 /nfs/dbraw/zinc/92/28/01/754922801.db2.gz CVBWGHSFFOSGEU-MPGHIAIKSA-N 1 1 341.415 0.844 20 30 ECEDMO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CCNC1=O ZINC001028735993 754924340 /nfs/dbraw/zinc/92/43/40/754924340.db2.gz VEABEGKBUPYTKV-IAGOWNOFSA-N 1 1 325.412 0.612 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001028745135 754952719 /nfs/dbraw/zinc/95/27/19/754952719.db2.gz VVFAVHSMMOJDAS-GFCCVEGCSA-N 1 1 343.366 0.473 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000983303850 755109720 /nfs/dbraw/zinc/10/97/20/755109720.db2.gz OHRKDFHVCSTLMA-ZIAGYGMSSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000983307810 755125158 /nfs/dbraw/zinc/12/51/58/755125158.db2.gz YALXMDOHUBVGNR-UONOGXRCSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001060034939 755169261 /nfs/dbraw/zinc/16/92/61/755169261.db2.gz VCXULEFJVVERAG-KBPBESRZSA-N 1 1 328.420 0.372 20 30 ECEDMO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]nnc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105647623 755173543 /nfs/dbraw/zinc/17/35/43/755173543.db2.gz SJZZUNRUKXKKPK-GZOSKZMVSA-N 1 1 345.447 0.716 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@H](CCNC(=O)CSCC#N)C1 ZINC001060035215 755179285 /nfs/dbraw/zinc/17/92/85/755179285.db2.gz BAQGHOIZWISDQJ-AWEZNQCLSA-N 1 1 340.493 0.940 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028808006 755195668 /nfs/dbraw/zinc/19/56/68/755195668.db2.gz YULDFRLRXZXJEJ-XZJROXQQSA-N 1 1 344.390 0.757 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028808006 755195672 /nfs/dbraw/zinc/19/56/72/755195672.db2.gz YULDFRLRXZXJEJ-XZJROXQQSA-N 1 1 344.390 0.757 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001060038012 755218370 /nfs/dbraw/zinc/21/83/70/755218370.db2.gz RHBRXXZWVZYSPP-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001028851150 755307928 /nfs/dbraw/zinc/30/79/28/755307928.db2.gz GVZPBDANUMCRPX-CQSZACIVSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001028853390 755313408 /nfs/dbraw/zinc/31/34/08/755313408.db2.gz TZTNPNFJHLGZNP-AWEZNQCLSA-N 1 1 341.419 0.814 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001028853159 755315399 /nfs/dbraw/zinc/31/53/99/755315399.db2.gz QTGMROLFIWSCLE-HIFRSBDPSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001028858422 755324321 /nfs/dbraw/zinc/32/43/21/755324321.db2.gz QRVIYQSDRBKBHJ-TZMCWYRMSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001028862639 755331371 /nfs/dbraw/zinc/33/13/71/755331371.db2.gz WLVHMEDLMMXGNL-BRWVUGGUSA-N 1 1 330.432 0.750 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cn(CC)nn3)C2)C1=O ZINC001028897204 755426269 /nfs/dbraw/zinc/42/62/69/755426269.db2.gz GDRMWMUVGAPEJS-UKRRQHHQSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001028918684 755477370 /nfs/dbraw/zinc/47/73/70/755477370.db2.gz LDGFRNQMQHZDTE-KBPBESRZSA-N 1 1 344.415 0.587 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC001075962223 755488473 /nfs/dbraw/zinc/48/84/73/755488473.db2.gz HHKBYTCNEQJPGB-WCQYABFASA-N 1 1 339.417 0.649 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001075965108 755492273 /nfs/dbraw/zinc/49/22/73/755492273.db2.gz ZULIFWHQCKGQRO-MELADBBJSA-N 1 1 329.404 0.102 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001075965107 755492406 /nfs/dbraw/zinc/49/24/06/755492406.db2.gz ZULIFWHQCKGQRO-BFHYXJOUSA-N 1 1 329.404 0.102 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001075985517 755564830 /nfs/dbraw/zinc/56/48/30/755564830.db2.gz JRCKWYIRWKTODI-QWHCGFSZSA-N 1 1 326.828 0.687 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001075985517 755564835 /nfs/dbraw/zinc/56/48/35/755564835.db2.gz JRCKWYIRWKTODI-QWHCGFSZSA-N 1 1 326.828 0.687 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@@H](O)C1 ZINC001083480947 755623068 /nfs/dbraw/zinc/62/30/68/755623068.db2.gz KDTWOUMVFFXPSE-CABCVRRESA-N 1 1 328.372 0.323 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@@H](O)C1 ZINC001083480947 755623073 /nfs/dbraw/zinc/62/30/73/755623073.db2.gz KDTWOUMVFFXPSE-CABCVRRESA-N 1 1 328.372 0.323 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001040284889 755627314 /nfs/dbraw/zinc/62/73/14/755627314.db2.gz YVDUAOAECSOVHW-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3coc(OC)n3)[C@H]2C)C1=O ZINC001088775035 755632839 /nfs/dbraw/zinc/63/28/39/755632839.db2.gz XHXKIOVRQZKDGZ-DYEKYZERSA-N 1 1 348.403 0.663 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3coc(OC)n3)[C@H]2C)C1=O ZINC001088775035 755632841 /nfs/dbraw/zinc/63/28/41/755632841.db2.gz XHXKIOVRQZKDGZ-DYEKYZERSA-N 1 1 348.403 0.663 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990705028 755655335 /nfs/dbraw/zinc/65/53/35/755655335.db2.gz XEJIZVXJDQNRTE-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000990706263 755657402 /nfs/dbraw/zinc/65/74/02/755657402.db2.gz ASTRELJLWKMBST-AWEZNQCLSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083486343 755666280 /nfs/dbraw/zinc/66/62/80/755666280.db2.gz UVZFBMZEWHSXAN-OLZOCXBDSA-N 1 1 336.440 0.098 20 30 ECEDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)C#CC2CC2)cc1 ZINC001126876026 755754511 /nfs/dbraw/zinc/75/45/11/755754511.db2.gz YKWSTWDNEDYKCA-UHFFFAOYSA-N 1 1 340.387 0.290 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3ncncc3C2)[C@@H](O)C1 ZINC001083517194 755848487 /nfs/dbraw/zinc/84/84/87/755848487.db2.gz OPBAJFHRCYAOGV-XYPHTWIQSA-N 1 1 330.432 0.709 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@H]12 ZINC000990767122 755853117 /nfs/dbraw/zinc/85/31/17/755853117.db2.gz XFHLZBLFPNYDGQ-LRDDRELGSA-N 1 1 332.408 0.066 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001051598323 762431920 /nfs/dbraw/zinc/43/19/20/762431920.db2.gz MQNAUQCWFHHEDH-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1O ZINC001083535930 755976404 /nfs/dbraw/zinc/97/64/04/755976404.db2.gz UTZJJWOTZLUIPZ-SQNIBIBYSA-N 1 1 331.460 0.746 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCn3ccnn3)C2)nn1 ZINC001098661316 756036741 /nfs/dbraw/zinc/03/67/41/756036741.db2.gz JOUWPSTVUKUOPI-CQSZACIVSA-N 1 1 330.396 0.009 20 30 ECEDMO COCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001098661751 756091946 /nfs/dbraw/zinc/09/19/46/756091946.db2.gz RQTOSHKKNJSUFE-OAHLLOKOSA-N 1 1 343.391 0.301 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)cc1 ZINC001076119457 756099812 /nfs/dbraw/zinc/09/98/12/756099812.db2.gz LQVFCCSYPLGOPH-RRQGHBQHSA-N 1 1 325.412 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)cc1 ZINC001076119457 756099816 /nfs/dbraw/zinc/09/98/16/756099816.db2.gz LQVFCCSYPLGOPH-RRQGHBQHSA-N 1 1 325.412 0.949 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3C(N)=O)[C@@H]2C1 ZINC001076122393 756112022 /nfs/dbraw/zinc/11/20/22/756112022.db2.gz YCGHOGUSIILFHN-DOTOQJQBSA-N 1 1 325.412 0.884 20 30 ECEDMO O=C([C@@H]1CCNC1=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076126255 756115478 /nfs/dbraw/zinc/11/54/78/756115478.db2.gz QYSQJTUDDMLFME-RCCFBDPRSA-N 1 1 337.423 0.707 20 30 ECEDMO O=C([C@@H]1CCNC1=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001076126255 756115483 /nfs/dbraw/zinc/11/54/83/756115483.db2.gz QYSQJTUDDMLFME-RCCFBDPRSA-N 1 1 337.423 0.707 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cncc(C)c3)C2)C1=O ZINC001010427632 756124205 /nfs/dbraw/zinc/12/42/05/756124205.db2.gz JWYYWKQOXXACSK-CVEARBPZSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cncc(C)c3)C2)C1=O ZINC001010427632 756124208 /nfs/dbraw/zinc/12/42/08/756124208.db2.gz JWYYWKQOXXACSK-CVEARBPZSA-N 1 1 328.416 0.981 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001060101181 756129356 /nfs/dbraw/zinc/12/93/56/756129356.db2.gz RYUXUOMBFUSOIT-QLFBSQMISA-N 1 1 342.447 0.761 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001076182870 756180939 /nfs/dbraw/zinc/18/09/39/756180939.db2.gz AWANXEBTSWHLLP-LBPRGKRZSA-N 1 1 331.420 0.995 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001076218721 756222362 /nfs/dbraw/zinc/22/23/62/756222362.db2.gz CCFMAFRCINNHJT-LBPRGKRZSA-N 1 1 331.420 0.995 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010649145 756349639 /nfs/dbraw/zinc/34/96/39/756349639.db2.gz CQOKVRAMJHYFNJ-UKRRQHHQSA-N 1 1 327.388 0.477 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001010649145 756349642 /nfs/dbraw/zinc/34/96/42/756349642.db2.gz CQOKVRAMJHYFNJ-UKRRQHHQSA-N 1 1 327.388 0.477 20 30 ECEDMO CCCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051610238 762461224 /nfs/dbraw/zinc/46/12/24/762461224.db2.gz BECKNNMAMYTCQC-HNNXBMFYSA-N 1 1 331.420 0.419 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)c1 ZINC001010668122 756373316 /nfs/dbraw/zinc/37/33/16/756373316.db2.gz KAPNMYJSXPMFGO-KRWDZBQOSA-N 1 1 328.416 0.581 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)s1 ZINC001010670777 756377133 /nfs/dbraw/zinc/37/71/33/756377133.db2.gz QMWASHMOBSNGRP-CYBMUJFWSA-N 1 1 334.445 0.642 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)s1 ZINC001010670777 756377135 /nfs/dbraw/zinc/37/71/35/756377135.db2.gz QMWASHMOBSNGRP-CYBMUJFWSA-N 1 1 334.445 0.642 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1 ZINC001076360780 756414698 /nfs/dbraw/zinc/41/46/98/756414698.db2.gz PKNWCUFTIPOJGF-DZGCQCFKSA-N 1 1 339.399 0.501 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)C1=O ZINC001010717697 756438413 /nfs/dbraw/zinc/43/84/13/756438413.db2.gz LNTRBAMREYBVBD-DZGCQCFKSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)C1=O ZINC001010717697 756438414 /nfs/dbraw/zinc/43/84/14/756438414.db2.gz LNTRBAMREYBVBD-DZGCQCFKSA-N 1 1 332.379 0.812 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1 ZINC001076400808 756474780 /nfs/dbraw/zinc/47/47/80/756474780.db2.gz FFKASZFPZYPVEC-JKSUJKDBSA-N 1 1 328.416 0.416 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001010754223 756482680 /nfs/dbraw/zinc/48/26/80/756482680.db2.gz PPGNGBATCHYOQJ-GOSISDBHSA-N 1 1 325.412 0.707 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001010754223 756482682 /nfs/dbraw/zinc/48/26/82/756482682.db2.gz PPGNGBATCHYOQJ-GOSISDBHSA-N 1 1 325.412 0.707 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)[C@@H]2C1 ZINC001076412203 756482918 /nfs/dbraw/zinc/48/29/18/756482918.db2.gz UHKDEHOCRHSAQN-GOEBONIOSA-N 1 1 336.399 0.832 20 30 ECEDMO CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051613413 762471575 /nfs/dbraw/zinc/47/15/75/762471575.db2.gz ZCVPKTJFDRJMQB-OAHLLOKOSA-N 1 1 331.420 0.337 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076441019 756519523 /nfs/dbraw/zinc/51/95/23/756519523.db2.gz LLVVVBVSCJUTJC-OFQRWUPVSA-N 1 1 331.420 0.962 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)nc1 ZINC001076475898 756562639 /nfs/dbraw/zinc/56/26/39/756562639.db2.gz LDJOUINYZHLURL-UKPHBRMFSA-N 1 1 340.427 0.686 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)nc1 ZINC001076475898 756562640 /nfs/dbraw/zinc/56/26/40/756562640.db2.gz LDJOUINYZHLURL-UKPHBRMFSA-N 1 1 340.427 0.686 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001010828755 756576728 /nfs/dbraw/zinc/57/67/28/756576728.db2.gz AFIFWVTYABSGLB-RRFJBIMHSA-N 1 1 348.447 0.316 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001010828755 756576732 /nfs/dbraw/zinc/57/67/32/756576732.db2.gz AFIFWVTYABSGLB-RRFJBIMHSA-N 1 1 348.447 0.316 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076504796 756587864 /nfs/dbraw/zinc/58/78/64/756587864.db2.gz RVALGXQHFUZBON-OKZBNKHCSA-N 1 1 337.423 0.632 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001076516843 756593250 /nfs/dbraw/zinc/59/32/50/756593250.db2.gz GKEBJGWMLQRVTN-BBWFWOEESA-N 1 1 335.448 0.733 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1COC(=O)N1 ZINC001010844104 756593711 /nfs/dbraw/zinc/59/37/11/756593711.db2.gz UIUVGHNAIQVNSH-LSDHHAIUSA-N 1 1 347.802 0.990 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1COC(=O)N1 ZINC001010844104 756593713 /nfs/dbraw/zinc/59/37/13/756593713.db2.gz UIUVGHNAIQVNSH-LSDHHAIUSA-N 1 1 347.802 0.990 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CNC(N)=O)cc3)[C@@H]2C1 ZINC001076552011 756632609 /nfs/dbraw/zinc/63/26/09/756632609.db2.gz FQXHWLAUKZZQPJ-JKSUJKDBSA-N 1 1 326.400 0.634 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1 ZINC001076566198 756650844 /nfs/dbraw/zinc/65/08/44/756650844.db2.gz PVJDVWOSTUCYKT-CMPLNLGQSA-N 1 1 338.795 0.385 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1 ZINC001076566198 756650847 /nfs/dbraw/zinc/65/08/47/756650847.db2.gz PVJDVWOSTUCYKT-CMPLNLGQSA-N 1 1 338.795 0.385 20 30 ECEDMO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2C)nn1 ZINC001076575771 756664482 /nfs/dbraw/zinc/66/44/82/756664482.db2.gz HKYKSZMJDPSRSW-KBPBESRZSA-N 1 1 348.451 0.573 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001076589540 756696036 /nfs/dbraw/zinc/69/60/36/756696036.db2.gz HPGRCSBPJDJLHE-STQMWFEESA-N 1 1 334.424 0.040 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001010961237 756707043 /nfs/dbraw/zinc/70/70/43/756707043.db2.gz GBWWYEDULUFODQ-NONVJHHQSA-N 1 1 348.447 0.174 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001010961237 756707045 /nfs/dbraw/zinc/70/70/45/756707045.db2.gz GBWWYEDULUFODQ-NONVJHHQSA-N 1 1 348.447 0.174 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)no1 ZINC000990891627 756719816 /nfs/dbraw/zinc/71/98/16/756719816.db2.gz DTWFNVADULZUMM-UHFFFAOYSA-N 1 1 342.359 0.190 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001051619255 762488980 /nfs/dbraw/zinc/48/89/80/762488980.db2.gz ITXYNMOGZUTWTP-XHSDSOJGSA-N 1 1 349.435 0.113 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)[C@@H](O)C1 ZINC001083551633 756769001 /nfs/dbraw/zinc/76/90/01/756769001.db2.gz WBDXVPZIRRDVGB-KGLIPLIRSA-N 1 1 332.404 0.801 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)cc1 ZINC001076667941 756807951 /nfs/dbraw/zinc/80/79/51/756807951.db2.gz RQOKULLANSMKDN-IAGOWNOFSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)cc1 ZINC001076667941 756807957 /nfs/dbraw/zinc/80/79/57/756807957.db2.gz RQOKULLANSMKDN-IAGOWNOFSA-N 1 1 329.400 0.646 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2nccnc2C#N)C1 ZINC001060128942 756808545 /nfs/dbraw/zinc/80/85/45/756808545.db2.gz CBZVNILKCJARIQ-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2nccnc2C#N)C1 ZINC001060128942 756808549 /nfs/dbraw/zinc/80/85/49/756808549.db2.gz CBZVNILKCJARIQ-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2sccc2-n2ccnn2)[C@@H](O)C1 ZINC001083552554 756838869 /nfs/dbraw/zinc/83/88/69/756838869.db2.gz KGWJDDGVPRDRIP-YPMHNXCESA-N 1 1 333.417 0.680 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]ccc2C)CC1 ZINC001011071686 756876824 /nfs/dbraw/zinc/87/68/24/756876824.db2.gz WUIXGPWCYDUBOM-HNNXBMFYSA-N 1 1 328.416 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]ccc2C)CC1 ZINC001011071686 756876830 /nfs/dbraw/zinc/87/68/30/756876830.db2.gz WUIXGPWCYDUBOM-HNNXBMFYSA-N 1 1 328.416 0.705 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C(=O)C#CC3CC3)CC1)C2 ZINC001011110382 756940570 /nfs/dbraw/zinc/94/05/70/756940570.db2.gz WZFNYRFVUFHLNU-MRXNPFEDSA-N 1 1 340.427 0.838 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)C1=O ZINC001048778918 756964156 /nfs/dbraw/zinc/96/41/56/756964156.db2.gz KRHWTDFPWOHKMS-VNHYZAJKSA-N 1 1 327.388 0.121 20 30 ECEDMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)C1=O ZINC001048778917 756964305 /nfs/dbraw/zinc/96/43/05/756964305.db2.gz KRHWTDFPWOHKMS-GUTXKFCHSA-N 1 1 327.388 0.121 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@H]3C2)s1 ZINC001048796480 757027376 /nfs/dbraw/zinc/02/73/76/757027376.db2.gz RYAPWNWGNFCBNH-UHIISALHSA-N 1 1 346.412 0.618 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](O)C(C)C)C[C@H]3C2)C1=O ZINC001048801094 757038006 /nfs/dbraw/zinc/03/80/06/757038006.db2.gz WKZFSLBUNZBKFX-XUWVNRHRSA-N 1 1 335.448 0.180 20 30 ECEDMO CO[C@@H](C[NH+]1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1)C1CCC1 ZINC001107149786 757053161 /nfs/dbraw/zinc/05/31/61/757053161.db2.gz QPBPWVDEYSNLAL-WBMJQRKESA-N 1 1 346.435 0.726 20 30 ECEDMO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](CC[C@H]3CCCCO3)C2)nn1 ZINC001107149992 757053995 /nfs/dbraw/zinc/05/39/95/757053995.db2.gz XMZQXYMTTJWNBX-XJKSGUPXSA-N 1 1 346.435 0.870 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1O ZINC001048813863 757079651 /nfs/dbraw/zinc/07/96/51/757079651.db2.gz ONGWTVDWTQFFIQ-ULQDDVLXSA-N 1 1 349.475 0.549 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3ccc(=O)n(C)c3=O)CCC[C@H]12 ZINC000990970543 757099463 /nfs/dbraw/zinc/09/94/63/757099463.db2.gz AGEHHSYUUDORNQ-KBXCAEBGSA-N 1 1 346.431 0.236 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C[C@H]2C1 ZINC001048855666 757191628 /nfs/dbraw/zinc/19/16/28/757191628.db2.gz DTYTVVQAIGPGCY-TXEJJXNPSA-N 1 1 325.372 0.311 20 30 ECEDMO CO[C@@H](C)C[NH+]1CC(n2cc(CNC(=O)C#CC(C)(C)C)nn2)C1 ZINC001107171230 757217792 /nfs/dbraw/zinc/21/77/92/757217792.db2.gz OOHKZFLYYNQGEM-ZDUSSCGKSA-N 1 1 333.436 0.835 20 30 ECEDMO Cc1[nH]nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c1C ZINC001076814744 757231890 /nfs/dbraw/zinc/23/18/90/757231890.db2.gz ROUHQFVMUZFAJL-HZPDHXFCSA-N 1 1 339.399 0.873 20 30 ECEDMO Cc1[nH]nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c1C ZINC001076814744 757231895 /nfs/dbraw/zinc/23/18/95/757231895.db2.gz ROUHQFVMUZFAJL-HZPDHXFCSA-N 1 1 339.399 0.873 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cnns3)C[C@H]2C1 ZINC001048870031 757238393 /nfs/dbraw/zinc/23/83/93/757238393.db2.gz LKRGKAZDZGMJPM-LZWOXQAQSA-N 1 1 345.472 0.526 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cnns3)C[C@H]2C1 ZINC001048870031 757238399 /nfs/dbraw/zinc/23/83/99/757238399.db2.gz LKRGKAZDZGMJPM-LZWOXQAQSA-N 1 1 345.472 0.526 20 30 ECEDMO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001048873850 757250804 /nfs/dbraw/zinc/25/08/04/757250804.db2.gz NGOKTNVIGXTCMH-GJZGRUSLSA-N 1 1 348.447 0.824 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cncnc2C)C1=O ZINC001032296506 757286710 /nfs/dbraw/zinc/28/67/10/757286710.db2.gz WXUPLOKKLODBSH-OFQRWUPVSA-N 1 1 341.415 0.471 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cncnc2C)C1=O ZINC001032296506 757286719 /nfs/dbraw/zinc/28/67/19/757286719.db2.gz WXUPLOKKLODBSH-OFQRWUPVSA-N 1 1 341.415 0.471 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cn4c(n3)C[C@H](OC)CC4)C[C@H]2C1 ZINC001048888536 757303690 /nfs/dbraw/zinc/30/36/90/757303690.db2.gz IVTQAJXNTSEGPI-QLFBSQMISA-N 1 1 328.416 0.481 20 30 ECEDMO C#CCC1(C(=O)NCc2cn(C3C[NH+](C[C@H](C)O)C3)nn2)CCC1 ZINC001107178396 757334567 /nfs/dbraw/zinc/33/45/67/757334567.db2.gz VULJZZOHOJIGKH-ZDUSSCGKSA-N 1 1 331.420 0.325 20 30 ECEDMO C#Cc1cncc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)c1 ZINC001021375969 757363780 /nfs/dbraw/zinc/36/37/80/757363780.db2.gz FFEDQAYZAUARGQ-HMQMGEFJSA-N 1 1 338.411 0.677 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@H]2O)c1 ZINC001076855859 757397307 /nfs/dbraw/zinc/39/73/07/757397307.db2.gz QEDUBENSGUULKO-BRWVUGGUSA-N 1 1 340.383 0.395 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2O)c1 ZINC001076855859 757397317 /nfs/dbraw/zinc/39/73/17/757397317.db2.gz QEDUBENSGUULKO-BRWVUGGUSA-N 1 1 340.383 0.395 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001011282702 757402958 /nfs/dbraw/zinc/40/29/58/757402958.db2.gz CIVKYUIRYUCVNT-KRWDZBQOSA-N 1 1 346.475 0.239 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)C#CC(C)C)C[C@@H]2O)CC[N@H+]1C ZINC001048922921 757423897 /nfs/dbraw/zinc/42/38/97/757423897.db2.gz CMFCFHNYAPFTLG-YVSFHVDLSA-N 1 1 349.475 0.406 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)COCC(F)F)nn2)C1 ZINC001107189711 757427872 /nfs/dbraw/zinc/42/78/72/757427872.db2.gz FVEPPRVIDHFOJF-UHFFFAOYSA-N 1 1 329.351 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]cnc2CC)CC1 ZINC001011314056 757486766 /nfs/dbraw/zinc/48/67/66/757486766.db2.gz BETMOHIXBNIKTQ-HNNXBMFYSA-N 1 1 343.431 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]cnc2CC)CC1 ZINC001011314056 757486773 /nfs/dbraw/zinc/48/67/73/757486773.db2.gz BETMOHIXBNIKTQ-HNNXBMFYSA-N 1 1 343.431 0.354 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001011314882 757491286 /nfs/dbraw/zinc/49/12/86/757491286.db2.gz QENBXXCGDRVJRD-NCOADZHNSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001011314882 757491292 /nfs/dbraw/zinc/49/12/92/757491292.db2.gz QENBXXCGDRVJRD-NCOADZHNSA-N 1 1 345.443 0.322 20 30 ECEDMO CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)C1CCC1 ZINC001076898580 757517626 /nfs/dbraw/zinc/51/76/26/757517626.db2.gz PZZQOTOVNSSOHK-BZUAXINKSA-N 1 1 332.404 0.476 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001105900187 762556503 /nfs/dbraw/zinc/55/65/03/762556503.db2.gz HAZSOTLTAYSYPR-AWEZNQCLSA-N 1 1 343.391 0.223 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@H]2O)c[nH]1 ZINC001076906421 757558545 /nfs/dbraw/zinc/55/85/45/757558545.db2.gz ZODLTPCMSMBYLH-IAGOWNOFSA-N 1 1 340.383 0.740 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@H]2O)c[nH]1 ZINC001076906421 757558550 /nfs/dbraw/zinc/55/85/50/757558550.db2.gz ZODLTPCMSMBYLH-IAGOWNOFSA-N 1 1 340.383 0.740 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)C3(n4cnnn4)CCCCC3)C[C@H]2C1 ZINC001048975953 757576377 /nfs/dbraw/zinc/57/63/77/757576377.db2.gz BQRHYHISSGWPKZ-IYBDPMFKSA-N 1 1 342.447 0.746 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)c1 ZINC001076919255 757594170 /nfs/dbraw/zinc/59/41/70/757594170.db2.gz CXSCCOZGVUEYFP-IAGOWNOFSA-N 1 1 327.384 0.566 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)c1 ZINC001076919255 757594179 /nfs/dbraw/zinc/59/41/79/757594179.db2.gz CXSCCOZGVUEYFP-IAGOWNOFSA-N 1 1 327.384 0.566 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001021592187 757655012 /nfs/dbraw/zinc/65/50/12/757655012.db2.gz PTLAYCDYCAPENE-KBPBESRZSA-N 1 1 346.435 0.266 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001049003553 757662699 /nfs/dbraw/zinc/66/26/99/757662699.db2.gz LESQNULZESWMPR-HOTGVXAUSA-N 1 1 337.464 0.857 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021604834 757677990 /nfs/dbraw/zinc/67/79/90/757677990.db2.gz HAPZWQODXWFSCP-CVEARBPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021613599 757685061 /nfs/dbraw/zinc/68/50/61/757685061.db2.gz AHSIUMZSTBTEQW-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCCN1CC(n2cc(CNC(=O)C[N@@H+]3CCC[C@H]3C)nn2)C1 ZINC001107209498 757686811 /nfs/dbraw/zinc/68/68/11/757686811.db2.gz RIJJWYTUMUXCMN-CQSZACIVSA-N 1 1 332.452 0.811 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021618082 757690859 /nfs/dbraw/zinc/69/08/59/757690859.db2.gz BPRPWQIBWNERCP-HOTGVXAUSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021618082 757690862 /nfs/dbraw/zinc/69/08/62/757690862.db2.gz BPRPWQIBWNERCP-HOTGVXAUSA-N 1 1 338.473 0.757 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ncccc2C#N)C1 ZINC001107210506 757692936 /nfs/dbraw/zinc/69/29/36/757692936.db2.gz LEJJAQPRJFTLJZ-ABCZVMIZSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2ncccc2C#N)C1 ZINC001107210506 757692938 /nfs/dbraw/zinc/69/29/38/757692938.db2.gz LEJJAQPRJFTLJZ-ABCZVMIZSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ccncc2C#N)C1 ZINC001107211131 757699040 /nfs/dbraw/zinc/69/90/40/757699040.db2.gz RWBNJMJKQHSDGC-QDLOVBKTSA-N 1 1 329.404 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2ccncc2C#N)C1 ZINC001107211131 757699046 /nfs/dbraw/zinc/69/90/46/757699046.db2.gz RWBNJMJKQHSDGC-QDLOVBKTSA-N 1 1 329.404 0.180 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021660839 757751607 /nfs/dbraw/zinc/75/16/07/757751607.db2.gz GYLRUBXGCDLTIH-JKSUJKDBSA-N 1 1 326.400 0.856 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021663142 757757012 /nfs/dbraw/zinc/75/70/12/757757012.db2.gz ZWOASIOCRPBQOX-QWRGUYRKSA-N 1 1 330.226 0.693 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021663142 757757019 /nfs/dbraw/zinc/75/70/19/757757019.db2.gz ZWOASIOCRPBQOX-QWRGUYRKSA-N 1 1 330.226 0.693 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)CC[C@@H]32)c1 ZINC001021666976 757762258 /nfs/dbraw/zinc/76/22/58/757762258.db2.gz DUPOINUXPXZWDW-HOCLYGCPSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)CC[C@@H]32)c1 ZINC001021666976 757762262 /nfs/dbraw/zinc/76/22/62/757762262.db2.gz DUPOINUXPXZWDW-HOCLYGCPSA-N 1 1 326.400 0.475 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3C[N@@H+](CCO)CC[C@@H]32)nn1 ZINC001021687355 757782047 /nfs/dbraw/zinc/78/20/47/757782047.db2.gz HUMHGCWBOUKWJL-ZBFHGGJFSA-N 1 1 333.436 0.773 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 ZINC001021688023 757782988 /nfs/dbraw/zinc/78/29/88/757782988.db2.gz KPTFTHPGNDKFEM-KGLIPLIRSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021691103 757789224 /nfs/dbraw/zinc/78/92/24/757789224.db2.gz NFWHYHRVBUGWQN-HIFRSBDPSA-N 1 1 331.416 0.375 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021693021 757794446 /nfs/dbraw/zinc/79/44/46/757794446.db2.gz XEGRZGDCVBVBKP-UKRRQHHQSA-N 1 1 331.416 0.375 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001021715509 757853799 /nfs/dbraw/zinc/85/37/99/757853799.db2.gz GXYRKHZDKUADHM-TZMCWYRMSA-N 1 1 342.403 0.530 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nccn3C)C[C@@H]2C1 ZINC001049069468 757871431 /nfs/dbraw/zinc/87/14/31/757871431.db2.gz HXQGGSMEPFQDHW-QXSJWSMHSA-N 1 1 330.432 0.901 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nccn3C)C[C@@H]2C1 ZINC001049069468 757871442 /nfs/dbraw/zinc/87/14/42/757871442.db2.gz HXQGGSMEPFQDHW-QXSJWSMHSA-N 1 1 330.432 0.901 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3cnn(CC)c3)nn2)C1 ZINC001107227369 757884460 /nfs/dbraw/zinc/88/44/60/757884460.db2.gz JEFQMDNZXFAKAD-UHFFFAOYSA-N 1 1 343.435 0.786 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3CN(CC(N)=O)CC[C@@H]32)CC1 ZINC001021739087 757889752 /nfs/dbraw/zinc/88/97/52/757889752.db2.gz GJYZMATUDTVUQQ-IRXDYDNUSA-N 1 1 346.475 0.130 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)F)C1 ZINC001076996804 757898299 /nfs/dbraw/zinc/89/82/99/757898299.db2.gz OEXHBEBLWKIRGL-DGCLKSJQSA-N 1 1 328.363 0.889 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)Cc4ccccc43)C[C@H]2C1 ZINC001049080887 757907785 /nfs/dbraw/zinc/90/77/85/757907785.db2.gz YUSYGWWANRMJRN-CALCHBBNSA-N 1 1 337.423 0.989 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001049084975 757917886 /nfs/dbraw/zinc/91/78/86/757917886.db2.gz NQGQWRCSVAPFMR-GJZGRUSLSA-N 1 1 334.420 0.578 20 30 ECEDMO C=C(Cl)CN1CC(n2cc(CNC(=O)C[N@H+](C)CCC)nn2)C1 ZINC001107231377 757945850 /nfs/dbraw/zinc/94/58/50/757945850.db2.gz IILKIPWZEGNTJE-UHFFFAOYSA-N 1 1 340.859 0.845 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cncc(C)c2)C1 ZINC000996551985 757946736 /nfs/dbraw/zinc/94/67/36/757946736.db2.gz BQBHZXKOZQOLMH-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cncc(C)c2)C1 ZINC000996551985 757946747 /nfs/dbraw/zinc/94/67/47/757946747.db2.gz BQBHZXKOZQOLMH-KRWDZBQOSA-N 1 1 340.427 0.357 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](CCn4cccn4)C[C@@H]3C2)nn1 ZINC001049102963 757965101 /nfs/dbraw/zinc/96/51/01/757965101.db2.gz AQHZPTKRNSJJRP-GASCZTMLSA-N 1 1 341.419 0.365 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](CC(C)C)C(N)=O)nn2)C1 ZINC001107243622 758003377 /nfs/dbraw/zinc/00/33/77/758003377.db2.gz CITKNTNVBREOQO-OAHLLOKOSA-N 1 1 348.451 0.475 20 30 ECEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)CC2(CCOCC2)C1 ZINC001099561959 758025036 /nfs/dbraw/zinc/02/50/36/758025036.db2.gz KQUAFFHDIYRFPK-HNNXBMFYSA-N 1 1 348.451 0.627 20 30 ECEDMO C=CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CCCOC)C2)nn1 ZINC001107240933 758042787 /nfs/dbraw/zinc/04/27/87/758042787.db2.gz JOXWLXWQPNNUAS-ZDUSSCGKSA-N 1 1 337.424 0.379 20 30 ECEDMO N#Cc1cnc(NC/C=C/CNC(=O)CC[NH+]2CCOCC2)c(F)c1 ZINC001107253271 758048626 /nfs/dbraw/zinc/04/86/26/758048626.db2.gz AEZKQTTYXSTRMP-OWOJBTEDSA-N 1 1 347.394 0.899 20 30 ECEDMO N#Cc1cnc(NC/C=C\CNC(=O)CC[NH+]2CCOCC2)cn1 ZINC001107254549 758053958 /nfs/dbraw/zinc/05/39/58/758053958.db2.gz WMPMVTUCMYCMFW-UPHRSURJSA-N 1 1 330.392 0.155 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4nccs4)C[C@H]3C2)C1=O ZINC001049129373 758061145 /nfs/dbraw/zinc/06/11/45/758061145.db2.gz HUDJJVMXENVDFK-MJBXVCDLSA-N 1 1 346.456 0.934 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001077070983 758089625 /nfs/dbraw/zinc/08/96/25/758089625.db2.gz BFSWFDFSJDIUMN-CHWSQXEVSA-N 1 1 328.372 0.370 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O ZINC001049145116 758118111 /nfs/dbraw/zinc/11/81/11/758118111.db2.gz KLTISDLRMIYZKE-HOTGVXAUSA-N 1 1 335.448 0.162 20 30 ECEDMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C1CC1 ZINC001021980981 758124628 /nfs/dbraw/zinc/12/46/28/758124628.db2.gz GAZSOZHCHFCYJT-JLLWLGSASA-N 1 1 340.391 0.819 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001049153137 758145221 /nfs/dbraw/zinc/14/52/21/758145221.db2.gz SDKDAHBTENETRP-BXWFABGCSA-N 1 1 347.459 0.306 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]3C2)cn1 ZINC001049179408 758236730 /nfs/dbraw/zinc/23/67/30/758236730.db2.gz VMEVSJGKUOONPQ-LZWOXQAQSA-N 1 1 326.400 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCOC1 ZINC001077124115 758239030 /nfs/dbraw/zinc/23/90/30/758239030.db2.gz MSBMTJVKUXDBKV-JYJNAYRXSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCOC1 ZINC001077124115 758239040 /nfs/dbraw/zinc/23/90/40/758239040.db2.gz MSBMTJVKUXDBKV-JYJNAYRXSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)COC)CCC[C@@H]12 ZINC001107323138 758243733 /nfs/dbraw/zinc/24/37/33/758243733.db2.gz QMUPPARDOAJVJV-IIDMSEBBSA-N 1 1 335.448 0.379 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cncnc1 ZINC001077123801 758249853 /nfs/dbraw/zinc/24/98/53/758249853.db2.gz DCGCYROIXMSEGF-HOCLYGCPSA-N 1 1 343.431 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cncnc1 ZINC001077123801 758249864 /nfs/dbraw/zinc/24/98/64/758249864.db2.gz DCGCYROIXMSEGF-HOCLYGCPSA-N 1 1 343.431 0.128 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049189181 758253919 /nfs/dbraw/zinc/25/39/19/758253919.db2.gz LBQOTNOXLWNABW-LZWOXQAQSA-N 1 1 341.477 0.425 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1C)CC2 ZINC001107330609 758271163 /nfs/dbraw/zinc/27/11/63/758271163.db2.gz FXLFJBBLLGLCGM-RHSMWYFYSA-N 1 1 333.436 0.879 20 30 ECEDMO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1C)CC2 ZINC001107330609 758271171 /nfs/dbraw/zinc/27/11/71/758271171.db2.gz FXLFJBBLLGLCGM-RHSMWYFYSA-N 1 1 333.436 0.879 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107330735 758271244 /nfs/dbraw/zinc/27/12/44/758271244.db2.gz LJRKOOLBQCYEJN-HWWQOWPSSA-N 1 1 332.408 0.129 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001022099635 758275790 /nfs/dbraw/zinc/27/57/90/758275790.db2.gz LITDEZAFEXEEDT-OSRDXIQISA-N 1 1 346.435 0.726 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](OC)C1CC1 ZINC001077124516 758284092 /nfs/dbraw/zinc/28/40/92/758284092.db2.gz WGROZDIBRZLEFA-CWRNSKLLSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](OC)C1CC1 ZINC001077124516 758284106 /nfs/dbraw/zinc/28/41/06/758284106.db2.gz WGROZDIBRZLEFA-CWRNSKLLSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1CCC(O)CC1 ZINC001077124434 758284694 /nfs/dbraw/zinc/28/46/94/758284694.db2.gz VXQPLYLIDMYGHH-OTBWCIGPSA-N 1 1 349.475 0.646 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1CCC(O)CC1 ZINC001077124434 758284697 /nfs/dbraw/zinc/28/46/97/758284697.db2.gz VXQPLYLIDMYGHH-OTBWCIGPSA-N 1 1 349.475 0.646 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CCOC1 ZINC001077124425 758285038 /nfs/dbraw/zinc/28/50/38/758285038.db2.gz VPVVGXMHPCGCTE-JYJNAYRXSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CCOC1 ZINC001077124425 758285051 /nfs/dbraw/zinc/28/50/51/758285051.db2.gz VPVVGXMHPCGCTE-JYJNAYRXSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccnc(C)n1 ZINC001077125586 758291887 /nfs/dbraw/zinc/29/18/87/758291887.db2.gz YIFYKGGQSWXFHG-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccnc(C)n1 ZINC001077125586 758291899 /nfs/dbraw/zinc/29/18/99/758291899.db2.gz YIFYKGGQSWXFHG-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001077125582 758293141 /nfs/dbraw/zinc/29/31/41/758293141.db2.gz YGIIKFSJOGNVPY-RDJZCZTQSA-N 1 1 348.491 0.579 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001049204083 758296475 /nfs/dbraw/zinc/29/64/75/758296475.db2.gz LOYRUOJXOILNCT-CALCHBBNSA-N 1 1 336.399 0.740 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001077147253 758341803 /nfs/dbraw/zinc/34/18/03/758341803.db2.gz IYFVSIIUMNKLOV-CHWSQXEVSA-N 1 1 331.372 0.369 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001077147253 758341805 /nfs/dbraw/zinc/34/18/05/758341805.db2.gz IYFVSIIUMNKLOV-CHWSQXEVSA-N 1 1 331.372 0.369 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1O ZINC001077158702 758373710 /nfs/dbraw/zinc/37/37/10/758373710.db2.gz SQCLZBXDRCCGRA-CEXWTWQISA-N 1 1 341.455 0.754 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nnc(C)n4C3)C[C@H]2C1 ZINC001049227265 758383293 /nfs/dbraw/zinc/38/32/93/758383293.db2.gz AZFSINGGYXEWFL-HRCADAONSA-N 1 1 327.432 0.562 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCC)CC2 ZINC001107374519 758400659 /nfs/dbraw/zinc/40/06/59/758400659.db2.gz VIIZHOMTHJXFGX-CRAIPNDOSA-N 1 1 335.448 0.523 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001077171888 758424622 /nfs/dbraw/zinc/42/46/22/758424622.db2.gz ZZCYJQMAIWDKLZ-HUUCEWRRSA-N 1 1 345.399 0.759 20 30 ECEDMO CC(C)(C)n1nnc(C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)n1 ZINC001127764731 758442103 /nfs/dbraw/zinc/44/21/03/758442103.db2.gz BJMQLWLRSCEPDZ-UHFFFAOYSA-N 1 1 345.382 0.958 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001077185363 758444227 /nfs/dbraw/zinc/44/42/27/758444227.db2.gz YDWMCDTYVVUFOG-VXGBXAGGSA-N 1 1 332.326 0.796 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001077185363 758444232 /nfs/dbraw/zinc/44/42/32/758444232.db2.gz YDWMCDTYVVUFOG-VXGBXAGGSA-N 1 1 332.326 0.796 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NCC=CCNc2ccncc2C#N)no1 ZINC001107402442 758471977 /nfs/dbraw/zinc/47/19/77/758471977.db2.gz JFLHDZADOXMRKQ-ARJAWSKDSA-N 1 1 340.387 0.823 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107402962 758472679 /nfs/dbraw/zinc/47/26/79/758472679.db2.gz VSUGYAOFMYFWGJ-JFIYKMOQSA-N 1 1 345.447 0.677 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CNS(=O)(=O)CC)CCC[C@@H]12 ZINC001107426210 758535226 /nfs/dbraw/zinc/53/52/26/758535226.db2.gz IVUQHEPXVKPPJR-GDBMZVCRSA-N 1 1 341.477 0.310 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)NC[C@]12CCC[C@H]1N(CC#N)CC2 ZINC001107435808 758560821 /nfs/dbraw/zinc/56/08/21/758560821.db2.gz BAOICRATSOOUOJ-JFIYKMOQSA-N 1 1 344.463 0.698 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC001049360518 758565499 /nfs/dbraw/zinc/56/54/99/758565499.db2.gz BYIKTAGQVVFXPD-HOTGVXAUSA-N 1 1 337.464 0.857 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H](O)CNc2nc(C)[nH+]c(C)c2C)cn1 ZINC001105907696 762636027 /nfs/dbraw/zinc/63/60/27/762636027.db2.gz CCTKGUVQTWNMQR-MRXNPFEDSA-N 1 1 339.399 0.981 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12 ZINC001107457813 758620086 /nfs/dbraw/zinc/62/00/86/758620086.db2.gz QTGWBLQSKPTCRC-VQIMIIECSA-N 1 1 348.491 0.697 20 30 ECEDMO O=C(NCCNCC#Cc1ccccc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779486 758623260 /nfs/dbraw/zinc/62/32/60/758623260.db2.gz MIKUMMGQBPHGPL-QZTJIDSGSA-N 1 1 327.428 0.607 20 30 ECEDMO O=C(NCCNCC#Cc1ccccc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779486 758623267 /nfs/dbraw/zinc/62/32/67/758623267.db2.gz MIKUMMGQBPHGPL-QZTJIDSGSA-N 1 1 327.428 0.607 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](O)C2)nc(C)[nH+]1 ZINC001051668817 762644945 /nfs/dbraw/zinc/64/49/45/762644945.db2.gz HROXTQRIAXZQNP-DZGCQCFKSA-N 1 1 340.387 0.663 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]c(C)n2)cn1 ZINC001105908285 762645979 /nfs/dbraw/zinc/64/59/79/762645979.db2.gz MNPAORZEZTUFRH-HNNXBMFYSA-N 1 1 325.372 0.673 20 30 ECEDMO C=CCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)CCC1 ZINC001049449877 758723152 /nfs/dbraw/zinc/72/31/52/758723152.db2.gz NMKNSBHFPVWLKG-PMPSAXMXSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)CCC1 ZINC001049458006 758742654 /nfs/dbraw/zinc/74/26/54/758742654.db2.gz IJHXQPLMKYKXNZ-PMPSAXMXSA-N 1 1 349.475 0.715 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2ncc[nH]2)C1=O ZINC001049459776 758746638 /nfs/dbraw/zinc/74/66/38/758746638.db2.gz KVOYMPRJRNITPW-ILXRZTDVSA-N 1 1 343.431 0.876 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CNC(=O)OC)CC2(CCOCC2)C1 ZINC001099565716 758754743 /nfs/dbraw/zinc/75/47/43/758754743.db2.gz IAZKDQGDCCJEDP-CQSZACIVSA-N 1 1 339.436 0.906 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(CC)CC2)C1 ZINC001049468677 758766710 /nfs/dbraw/zinc/76/67/10/758766710.db2.gz ZYZKICMMCXRZAI-JYJNAYRXSA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(CC)CC2)C1 ZINC001049468677 758766714 /nfs/dbraw/zinc/76/67/14/758766714.db2.gz ZYZKICMMCXRZAI-JYJNAYRXSA-N 1 1 347.459 0.304 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2nc(OC)cc(OC)n2)[C@@H](O)C1 ZINC001083571557 758772262 /nfs/dbraw/zinc/77/22/62/758772262.db2.gz BVNFCXLNIQUZDA-NEPJUHHUSA-N 1 1 336.392 0.235 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001077317482 758781941 /nfs/dbraw/zinc/78/19/41/758781941.db2.gz UJRNLNLFPOGBIO-GDBMZVCRSA-N 1 1 327.384 0.004 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001077317457 758782091 /nfs/dbraw/zinc/78/20/91/758782091.db2.gz SEHKMENZBWBSLQ-GDBMZVCRSA-N 1 1 329.400 0.557 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1nnn(C(C)(C)C)n1 ZINC001049498456 758807106 /nfs/dbraw/zinc/80/71/06/758807106.db2.gz KEHITCUOPWGHMO-UONOGXRCSA-N 1 1 330.436 0.669 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2OCC(N)=O)C1 ZINC001077346538 758852315 /nfs/dbraw/zinc/85/23/15/758852315.db2.gz CHPYEMFTYOUBJW-HUUCEWRRSA-N 1 1 347.415 0.292 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001049557285 758919080 /nfs/dbraw/zinc/91/90/80/758919080.db2.gz FUCZTZVOOMOGEF-OLZOCXBDSA-N 1 1 337.401 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001049564958 758928968 /nfs/dbraw/zinc/92/89/68/758928968.db2.gz QMXHMCZXQIUTHB-ZIAGYGMSSA-N 1 1 325.372 0.976 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1OCC(N)=O ZINC001049582236 758959023 /nfs/dbraw/zinc/95/90/23/758959023.db2.gz KQKFBHYWVPXLIT-HZPDHXFCSA-N 1 1 341.411 0.863 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(OCC(N)=O)cc1 ZINC001049582041 758959384 /nfs/dbraw/zinc/95/93/84/758959384.db2.gz LFRGIJWIOQRFSN-IRXDYDNUSA-N 1 1 341.411 0.863 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049612734 758993069 /nfs/dbraw/zinc/99/30/69/758993069.db2.gz NYHREUDBVWHCOQ-HUUCEWRRSA-N 1 1 333.436 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nc2ccccn2c1=O ZINC001049624901 759007935 /nfs/dbraw/zinc/00/79/35/759007935.db2.gz JSCDGECDJFZOEY-GJZGRUSLSA-N 1 1 339.399 0.195 20 30 ECEDMO C=CCC[NH+]1CC(OC2CCN(C(=O)CNC(=O)OC)CC2)C1 ZINC001105693827 759076890 /nfs/dbraw/zinc/07/68/90/759076890.db2.gz HZRNUQPIJKHSJY-UHFFFAOYSA-N 1 1 325.409 0.610 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)c1 ZINC001049692928 759107509 /nfs/dbraw/zinc/10/75/09/759107509.db2.gz VKZXDOWJRKKAPF-GJZGRUSLSA-N 1 1 330.363 0.748 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)c1 ZINC001049692928 759107512 /nfs/dbraw/zinc/10/75/12/759107512.db2.gz VKZXDOWJRKKAPF-GJZGRUSLSA-N 1 1 330.363 0.748 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001049722993 759133527 /nfs/dbraw/zinc/13/35/27/759133527.db2.gz MPJOOUJLFYLSCN-LVQVYYBASA-N 1 1 335.448 0.874 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)cc1 ZINC001022821764 759142073 /nfs/dbraw/zinc/14/20/73/759142073.db2.gz HFDWQFUOPJDWKF-OKILXGFUSA-N 1 1 340.387 0.273 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049751740 759167888 /nfs/dbraw/zinc/16/78/88/759167888.db2.gz COUOOKPXZWZLBF-IHRRRGAJSA-N 1 1 334.420 0.616 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049751870 759167917 /nfs/dbraw/zinc/16/79/17/759167917.db2.gz DTKCKQLWYFNXRJ-SDDRHHMPSA-N 1 1 340.811 0.402 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049751870 759167920 /nfs/dbraw/zinc/16/79/20/759167920.db2.gz DTKCKQLWYFNXRJ-SDDRHHMPSA-N 1 1 340.811 0.402 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001049764151 759176680 /nfs/dbraw/zinc/17/66/80/759176680.db2.gz TUXHMDOHTPSIDZ-BZUAXINKSA-N 1 1 338.473 0.900 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCCO)nn1 ZINC001049778602 759193342 /nfs/dbraw/zinc/19/33/42/759193342.db2.gz WXTNBTCRYQZQEU-CVEARBPZSA-N 1 1 333.436 0.916 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(=O)n(CC)n1 ZINC001049792399 759216554 /nfs/dbraw/zinc/21/65/54/759216554.db2.gz IVPNHISPPZSSFK-HOTGVXAUSA-N 1 1 328.416 0.965 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2cnon2)C1=O ZINC001049796821 759222163 /nfs/dbraw/zinc/22/21/63/759222163.db2.gz GFMNVZOCRDYNQO-KKUMJFAQSA-N 1 1 345.403 0.535 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049812040 759243852 /nfs/dbraw/zinc/24/38/52/759243852.db2.gz OGOOPVWEMRUAHV-KGLIPLIRSA-N 1 1 330.388 0.437 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cn3cc(C)sc3n2)[C@@H](O)C1 ZINC001083602665 759247229 /nfs/dbraw/zinc/24/72/29/759247229.db2.gz GVZXGJNBRFYTKG-KGLIPLIRSA-N 1 1 332.429 0.431 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cn3cc(C)sc3n2)[C@@H](O)C1 ZINC001083602665 759247234 /nfs/dbraw/zinc/24/72/34/759247234.db2.gz GVZXGJNBRFYTKG-KGLIPLIRSA-N 1 1 332.429 0.431 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001049832232 759269435 /nfs/dbraw/zinc/26/94/35/759269435.db2.gz UQJRNAFLLMVEEO-DJIMGWMZSA-N 1 1 343.431 0.942 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000907300903 759272670 /nfs/dbraw/zinc/27/26/70/759272670.db2.gz WSWQBMYBIVLFLJ-HNNXBMFYSA-N 1 1 335.429 0.286 20 30 ECEDMO C#Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000907300903 759272673 /nfs/dbraw/zinc/27/26/73/759272673.db2.gz WSWQBMYBIVLFLJ-HNNXBMFYSA-N 1 1 335.429 0.286 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O ZINC001049841445 759284800 /nfs/dbraw/zinc/28/48/00/759284800.db2.gz SQKMTHMMXOOPBY-HUUCEWRRSA-N 1 1 348.447 0.912 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CNC(C)=O)cc2)[C@@H](O)C1 ZINC001083612686 759301387 /nfs/dbraw/zinc/30/13/87/759301387.db2.gz ILDHUKAVQHSUKB-SJORKVTESA-N 1 1 329.400 0.121 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC000991098721 759324161 /nfs/dbraw/zinc/32/41/61/759324161.db2.gz CLLMRHDBYAJWRK-RWSFTLGLSA-N 1 1 340.811 0.450 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC000991098721 759324169 /nfs/dbraw/zinc/32/41/69/759324169.db2.gz CLLMRHDBYAJWRK-RWSFTLGLSA-N 1 1 340.811 0.450 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1nc2ncccn2n1 ZINC001049889828 759355380 /nfs/dbraw/zinc/35/53/80/759355380.db2.gz JEIMSWAHBXVATG-LSDHHAIUSA-N 1 1 338.415 0.755 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001047636002 759364866 /nfs/dbraw/zinc/36/48/66/759364866.db2.gz JNPSHZVHMVTSSF-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001047636002 759364878 /nfs/dbraw/zinc/36/48/78/759364878.db2.gz JNPSHZVHMVTSSF-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cnnn2)c1 ZINC001049893272 759365578 /nfs/dbraw/zinc/36/55/78/759365578.db2.gz OJYSCLIVLZGNKF-SJORKVTESA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nncn3C2)C1 ZINC001047638638 759375737 /nfs/dbraw/zinc/37/57/37/759375737.db2.gz CHGQEOAPBTVXJY-KKUMJFAQSA-N 1 1 333.436 0.310 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1COCCN1C(C)=O ZINC001049905308 759385759 /nfs/dbraw/zinc/38/57/59/759385759.db2.gz WQANQJYZSGBXHL-BRWVUGGUSA-N 1 1 335.448 0.875 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001047641248 759386560 /nfs/dbraw/zinc/38/65/60/759386560.db2.gz UEXRCCQMNDNPNC-HOTGVXAUSA-N 1 1 342.399 0.419 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C(N)=O)n1 ZINC001049914166 759396544 /nfs/dbraw/zinc/39/65/44/759396544.db2.gz ANTAYSNOZBDRKV-HZPDHXFCSA-N 1 1 326.400 0.883 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001054242225 767857115 /nfs/dbraw/zinc/85/71/15/767857115.db2.gz HZTBCOREWAXEBG-HOCLYGCPSA-N 1 1 341.477 0.569 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cccn3CC)C2)C1=O ZINC001032189318 759421233 /nfs/dbraw/zinc/42/12/33/759421233.db2.gz RIYRXMIBKYFHQA-MRXNPFEDSA-N 1 1 330.432 0.957 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001054243999 767860385 /nfs/dbraw/zinc/86/03/85/767860385.db2.gz RZVVGMHXDXSSQW-WBVHZDCISA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCS1(=O)=O)C2 ZINC001054243999 767860391 /nfs/dbraw/zinc/86/03/91/767860391.db2.gz RZVVGMHXDXSSQW-WBVHZDCISA-N 1 1 338.473 0.901 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001077429471 759478085 /nfs/dbraw/zinc/47/80/85/759478085.db2.gz UFKUXPBUVKLBLW-ZIAGYGMSSA-N 1 1 331.376 0.270 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001077429471 759478090 /nfs/dbraw/zinc/47/80/90/759478090.db2.gz UFKUXPBUVKLBLW-ZIAGYGMSSA-N 1 1 331.376 0.270 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(N)=O)C2 ZINC001054249294 767867211 /nfs/dbraw/zinc/86/72/11/767867211.db2.gz RCAOHWIWOOFVJL-MAUKXSAKSA-N 1 1 332.448 0.867 20 30 ECEDMO C=CCC[NH+]1CC(OC2CCN(C(=O)CCNC(=O)NC)CC2)C1 ZINC001105706011 759557743 /nfs/dbraw/zinc/55/77/43/759557743.db2.gz PRGZRWHVHBGMPH-UHFFFAOYSA-N 1 1 338.452 0.573 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)NC(N)=O)CC2)C1 ZINC001105706999 759558745 /nfs/dbraw/zinc/55/87/45/759558745.db2.gz ILUWZGRDCLFLOD-CYBMUJFWSA-N 1 1 336.436 0.148 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001050063506 759642466 /nfs/dbraw/zinc/64/24/66/759642466.db2.gz MSCNIHIEBSTCKF-JKSUJKDBSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2CN(CCn3cccn3)C2)CC1 ZINC001032207510 759644557 /nfs/dbraw/zinc/64/45/57/759644557.db2.gz UYHHOJDBVQXDKF-UHFFFAOYSA-N 1 1 329.448 0.276 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1 ZINC001050077962 759665062 /nfs/dbraw/zinc/66/50/62/759665062.db2.gz JGHIPMMXSIIFJJ-LSDHHAIUSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnc4sccn4c3=O)[C@@H]2C1 ZINC001050088755 759683264 /nfs/dbraw/zinc/68/32/64/759683264.db2.gz NEWUIDPKVKUBQC-GXTWGEPZSA-N 1 1 342.424 0.926 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(=O)c(OC)c[nH]3)[C@@H]2C1 ZINC001050095148 759691061 /nfs/dbraw/zinc/69/10/61/759691061.db2.gz AICHTUFUYPNELY-DZGCQCFKSA-N 1 1 329.400 0.943 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(=O)c(OC)c[nH]3)[C@@H]2C1 ZINC001050095148 759691065 /nfs/dbraw/zinc/69/10/65/759691065.db2.gz AICHTUFUYPNELY-DZGCQCFKSA-N 1 1 329.400 0.943 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccncc1C#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001125110437 759700354 /nfs/dbraw/zinc/70/03/54/759700354.db2.gz GRVCFNNPAFDSGG-DZGCQCFKSA-N 1 1 331.420 0.160 20 30 ECEDMO Cc1nc(NC/C=C\CNC(=O)[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001107093728 759898657 /nfs/dbraw/zinc/89/86/57/759898657.db2.gz MEJKYWGDJYAQNH-ABCZVMIZSA-N 1 1 329.404 0.677 20 30 ECEDMO Cc1nc(NC/C=C\CNC(=O)[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001107093728 759898667 /nfs/dbraw/zinc/89/86/67/759898667.db2.gz MEJKYWGDJYAQNH-ABCZVMIZSA-N 1 1 329.404 0.677 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001050191064 759906115 /nfs/dbraw/zinc/90/61/15/759906115.db2.gz DTPSNRCFAVCSGX-DLBZAZTESA-N 1 1 325.412 0.619 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001050191064 759906121 /nfs/dbraw/zinc/90/61/21/759906121.db2.gz DTPSNRCFAVCSGX-DLBZAZTESA-N 1 1 325.412 0.619 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C(=O)NC)n3)[C@@H]2C1 ZINC001050191672 759907987 /nfs/dbraw/zinc/90/79/87/759907987.db2.gz GOOKCKCLUYJMKN-XJKSGUPXSA-N 1 1 326.400 0.611 20 30 ECEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)c3cn(CC(N)=O)nn3)cc2C1 ZINC001054292651 767901383 /nfs/dbraw/zinc/90/13/83/767901383.db2.gz QASOZRDLUONUHX-UHFFFAOYSA-N 1 1 340.387 0.195 20 30 ECEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3cn(CC(N)=O)nn3)cc2C1 ZINC001054292651 767901387 /nfs/dbraw/zinc/90/13/87/767901387.db2.gz QASOZRDLUONUHX-UHFFFAOYSA-N 1 1 340.387 0.195 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccc(C)nn3)C2)nn1 ZINC001098673109 760148882 /nfs/dbraw/zinc/14/88/82/760148882.db2.gz MXARVIFSIMVXFM-AWEZNQCLSA-N 1 1 327.392 0.739 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)[C@@H](O)C1 ZINC001083641391 760184648 /nfs/dbraw/zinc/18/46/48/760184648.db2.gz KODNNWBOQNHMKU-BMFZPTHFSA-N 1 1 332.375 0.561 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)[C@@H](O)C1 ZINC001083641391 760184653 /nfs/dbraw/zinc/18/46/53/760184653.db2.gz KODNNWBOQNHMKU-BMFZPTHFSA-N 1 1 332.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)CC)C1 ZINC001048290804 760237982 /nfs/dbraw/zinc/23/79/82/760237982.db2.gz CZWUQAGKADNEPA-VGWMRTNUSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)CC)C1 ZINC001048290804 760237985 /nfs/dbraw/zinc/23/79/85/760237985.db2.gz CZWUQAGKADNEPA-VGWMRTNUSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@H](C)OC)nn2)C1 ZINC001098673405 760351594 /nfs/dbraw/zinc/35/15/94/760351594.db2.gz PWZRQTMERRBWMQ-HOCLYGCPSA-N 1 1 349.435 0.216 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cnc3c2CCCC3)[C@@H](O)C1 ZINC001083647470 760444377 /nfs/dbraw/zinc/44/43/77/760444377.db2.gz DYQADYBSQJPKGQ-WBVHZDCISA-N 1 1 332.448 0.889 20 30 ECEDMO CO[C@H](C)C[NH+]1CC(n2cc(CNC(=O)CSCC#N)nn2)C1 ZINC001107129925 760527853 /nfs/dbraw/zinc/52/78/53/760527853.db2.gz WWCXFZHHOGCJSU-LLVKDONJSA-N 1 1 338.437 0.043 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(CC)n[nH]2)C1=O ZINC001032290193 760568952 /nfs/dbraw/zinc/56/89/52/760568952.db2.gz NMISBRJGUZBJAY-OFQRWUPVSA-N 1 1 343.431 0.658 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(CC)n[nH]2)C1=O ZINC001032290193 760568955 /nfs/dbraw/zinc/56/89/55/760568955.db2.gz NMISBRJGUZBJAY-OFQRWUPVSA-N 1 1 343.431 0.658 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC000995794902 760614458 /nfs/dbraw/zinc/61/44/58/760614458.db2.gz ANWWPFVTUUXAPL-AWEZNQCLSA-N 1 1 330.436 0.823 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[nH]c1)C2 ZINC000995807096 760633295 /nfs/dbraw/zinc/63/32/95/760633295.db2.gz UPRCYXKMJPIXJL-UGUYLWEFSA-N 1 1 341.415 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[nH]c1)C2 ZINC000995807096 760633297 /nfs/dbraw/zinc/63/32/97/760633297.db2.gz UPRCYXKMJPIXJL-UGUYLWEFSA-N 1 1 341.415 0.369 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)CC1 ZINC001050727513 760737534 /nfs/dbraw/zinc/73/75/34/760737534.db2.gz KPHBWCXZOKHAAC-AWEZNQCLSA-N 1 1 327.432 0.857 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)CC1 ZINC001050727513 760737541 /nfs/dbraw/zinc/73/75/41/760737541.db2.gz KPHBWCXZOKHAAC-AWEZNQCLSA-N 1 1 327.432 0.857 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1c1cncc(C#N)n1 ZINC001048586842 760759222 /nfs/dbraw/zinc/75/92/22/760759222.db2.gz CWLWNOWTDATJDP-RRFJBIMHSA-N 1 1 328.420 0.916 20 30 ECEDMO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC000995980605 760885653 /nfs/dbraw/zinc/88/56/53/760885653.db2.gz ZGRFCHVQQIIUMX-QPSCCSFWSA-N 1 1 335.448 0.777 20 30 ECEDMO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC000995980605 760885668 /nfs/dbraw/zinc/88/56/68/760885668.db2.gz ZGRFCHVQQIIUMX-QPSCCSFWSA-N 1 1 335.448 0.777 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC4N=NC(=O)N4C3)CCC[C@@H]12 ZINC000991443917 760971003 /nfs/dbraw/zinc/97/10/03/760971003.db2.gz DBRMGUJBANVNRC-HBUWYVDXSA-N 1 1 343.431 0.683 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](CC)OC)C[C@H]3C2)C1=O ZINC001048715715 761008753 /nfs/dbraw/zinc/00/87/53/761008753.db2.gz OMXVMJITMHYUCE-QXSJWSMHSA-N 1 1 335.448 0.589 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3C2)C1=O ZINC001048722220 761036005 /nfs/dbraw/zinc/03/60/05/761036005.db2.gz CRSYRCOSDBMOGW-GUTXKFCHSA-N 1 1 346.456 0.934 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@@H]2C1 ZINC001048727876 761054914 /nfs/dbraw/zinc/05/49/14/761054914.db2.gz OCKJMRPHYFLQNK-VBNZEHGJSA-N 1 1 326.400 0.835 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@H]2CCOC2)c[nH]1 ZINC001050880083 761061129 /nfs/dbraw/zinc/06/11/29/761061129.db2.gz MAYNVWDTLHIWOM-XJKSGUPXSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@H]2CCOC2)c[nH]1 ZINC001050880083 761061131 /nfs/dbraw/zinc/06/11/31/761061131.db2.gz MAYNVWDTLHIWOM-XJKSGUPXSA-N 1 1 332.404 0.744 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001077448858 761227496 /nfs/dbraw/zinc/22/74/96/761227496.db2.gz JYZBGSWBNWQQLN-HUUCEWRRSA-N 1 1 328.376 0.013 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)C[C@H]3CCOC3)C2)C1=O ZINC001030033635 761284759 /nfs/dbraw/zinc/28/47/59/761284759.db2.gz ILRAEVHJPLBHTB-PMPSAXMXSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)C[C@H]3CCOC3)C2)C1=O ZINC001030033635 761284761 /nfs/dbraw/zinc/28/47/61/761284761.db2.gz ILRAEVHJPLBHTB-PMPSAXMXSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nnc(-c4ccco4)n3)CCC[C@@H]12 ZINC000991542783 761479220 /nfs/dbraw/zinc/47/92/20/761479220.db2.gz RZPCXPPZVNZDDW-PBHICJAKSA-N 1 1 340.387 0.680 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001054548047 768038356 /nfs/dbraw/zinc/03/83/56/768038356.db2.gz OEBNBHGXGBPENG-SMDDNHRTSA-N 1 1 327.392 0.748 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001051203231 761680883 /nfs/dbraw/zinc/68/08/83/761680883.db2.gz GZANVBRIGFDNBD-LBPRGKRZSA-N 1 1 331.376 0.442 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001051203231 761680885 /nfs/dbraw/zinc/68/08/85/761680885.db2.gz GZANVBRIGFDNBD-LBPRGKRZSA-N 1 1 331.376 0.442 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001051252276 761767086 /nfs/dbraw/zinc/76/70/86/761767086.db2.gz CKMMOEKMVKKALD-JKSUJKDBSA-N 1 1 347.463 0.932 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001051252276 761767090 /nfs/dbraw/zinc/76/70/90/761767090.db2.gz CKMMOEKMVKKALD-JKSUJKDBSA-N 1 1 347.463 0.932 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3COCCN3C)cccc2C1 ZINC001051284971 761823960 /nfs/dbraw/zinc/82/39/60/761823960.db2.gz RJZSMJQJJCGOJT-GOSISDBHSA-N 1 1 327.428 0.625 20 30 ECEDMO C=CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CN(C)C(=O)N3)cccc2C1 ZINC001051297245 761847196 /nfs/dbraw/zinc/84/71/96/761847196.db2.gz JFVXRUODQAMXIA-MRXNPFEDSA-N 1 1 328.416 0.871 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014565064 762836206 /nfs/dbraw/zinc/83/62/06/762836206.db2.gz LIAQZGAMCXFSQP-HNNXBMFYSA-N 1 1 340.387 0.549 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014565064 762836212 /nfs/dbraw/zinc/83/62/12/762836212.db2.gz LIAQZGAMCXFSQP-HNNXBMFYSA-N 1 1 340.387 0.549 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCN(C(N)=O)C3)CCC[C@H]12 ZINC000991704449 762847357 /nfs/dbraw/zinc/84/73/57/762847357.db2.gz BNSNFAZPAMILOU-RLFYNMQTSA-N 1 1 332.448 0.914 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)cc1 ZINC001051747468 762862403 /nfs/dbraw/zinc/86/24/03/762862403.db2.gz NSFIINPRZSCYAN-MRXNPFEDSA-N 1 1 326.356 0.682 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)cc1 ZINC001051747467 762862440 /nfs/dbraw/zinc/86/24/40/762862440.db2.gz NSFIINPRZSCYAN-INIZCTEOSA-N 1 1 326.356 0.682 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1=O ZINC001014615804 762907724 /nfs/dbraw/zinc/90/77/24/762907724.db2.gz JMAIGVFXUHFBGO-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1=O ZINC001014615804 762907726 /nfs/dbraw/zinc/90/77/26/762907726.db2.gz JMAIGVFXUHFBGO-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1snc(C)c1C#N ZINC001105943897 762992317 /nfs/dbraw/zinc/99/23/17/762992317.db2.gz DPEDVGUHVNRTFO-LLVKDONJSA-N 1 1 325.438 0.554 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1C ZINC001105945731 762996615 /nfs/dbraw/zinc/99/66/15/762996615.db2.gz CMEMMUUPBFQGCW-MBNYWOFBSA-N 1 1 333.436 0.707 20 30 ECEDMO C=C1CCC(C(=O)N2CCO[C@H](C[NH2+]Cc3nncn3C)C2)CC1 ZINC001051801834 762998530 /nfs/dbraw/zinc/99/85/30/762998530.db2.gz PTPFEMGPSVZWQK-OAHLLOKOSA-N 1 1 333.436 0.879 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051804173 763002514 /nfs/dbraw/zinc/00/25/14/763002514.db2.gz WZRJQXCVFNQVOO-WBMJQRKESA-N 1 1 337.424 0.028 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3nncs3)C2)c1 ZINC001051817818 763034644 /nfs/dbraw/zinc/03/46/44/763034644.db2.gz VGRQPVCGLYLWLO-CQSZACIVSA-N 1 1 343.412 0.545 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cn(C)nc3C)C2)C1=O ZINC001014750691 763087940 /nfs/dbraw/zinc/08/79/40/763087940.db2.gz BBIIBFPWGSEHAC-JKSUJKDBSA-N 1 1 345.447 0.248 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cn(C)nc3C)C2)C1=O ZINC001014750691 763087948 /nfs/dbraw/zinc/08/79/48/763087948.db2.gz BBIIBFPWGSEHAC-JKSUJKDBSA-N 1 1 345.447 0.248 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 ZINC001127654004 763098606 /nfs/dbraw/zinc/09/86/06/763098606.db2.gz FZJKOFHWWCABMT-UHFFFAOYSA-N 1 1 328.420 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(OC)ccn2)C1 ZINC001014770812 763128227 /nfs/dbraw/zinc/12/82/27/763128227.db2.gz SRPOKKOQJNLXNG-YJBOKZPZSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(OC)ccn2)C1 ZINC001014770812 763128230 /nfs/dbraw/zinc/12/82/30/763128230.db2.gz SRPOKKOQJNLXNG-YJBOKZPZSA-N 1 1 342.443 0.878 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001014774414 763132788 /nfs/dbraw/zinc/13/27/88/763132788.db2.gz DXXJJJVTWXMTTO-SJORKVTESA-N 1 1 329.448 0.251 20 30 ECEDMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cc1=O ZINC001014784020 763147103 /nfs/dbraw/zinc/14/71/03/763147103.db2.gz HSKHXRRXKLRMNA-LLVKDONJSA-N 1 1 343.412 0.718 20 30 ECEDMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cc1=O ZINC001014784020 763147105 /nfs/dbraw/zinc/14/71/05/763147105.db2.gz HSKHXRRXKLRMNA-LLVKDONJSA-N 1 1 343.412 0.718 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccon2)C1 ZINC001051867208 763151989 /nfs/dbraw/zinc/15/19/89/763151989.db2.gz DPNWYBIYMNMHKT-PMPSAXMXSA-N 1 1 335.404 0.973 20 30 ECEDMO C#CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001098784245 768112052 /nfs/dbraw/zinc/11/20/52/768112052.db2.gz CIFYPWGUOMEFRN-IAGOWNOFSA-N 1 1 344.463 0.649 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCNC(=O)C2)C1 ZINC001089850288 763179419 /nfs/dbraw/zinc/17/94/19/763179419.db2.gz NGKLXUDZVHVJHJ-QAETUUGQSA-N 1 1 346.475 0.163 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001105983092 763235855 /nfs/dbraw/zinc/23/58/55/763235855.db2.gz VWEHTIWUCGWDQF-HIFRSBDPSA-N 1 1 346.435 0.500 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(=O)cn1 ZINC001089856818 763247146 /nfs/dbraw/zinc/24/71/46/763247146.db2.gz VRNXAMBYEPZHSZ-AYDFFVQHSA-N 1 1 326.400 0.576 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nonc3C)C2)nc1 ZINC001051906627 763297335 /nfs/dbraw/zinc/29/73/35/763297335.db2.gz RFMBQMVMAGRYNO-AWEZNQCLSA-N 1 1 341.371 0.385 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@]2(C)CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001046886102 763299539 /nfs/dbraw/zinc/29/95/39/763299539.db2.gz GFEJKGULMJAFAU-KBXCAEBGSA-N 1 1 345.447 0.947 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@H]2O)C1 ZINC000991766217 763333792 /nfs/dbraw/zinc/33/37/92/763333792.db2.gz XUFXZKOZQRCEKH-HUUCEWRRSA-N 1 1 346.431 0.777 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H]3CCN(CC)C3=O)C2)cc1 ZINC001031892124 763346037 /nfs/dbraw/zinc/34/60/37/763346037.db2.gz NNHCYMXZOROXNU-KRWDZBQOSA-N 1 1 325.412 0.950 20 30 ECEDMO COCC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)COCCOC ZINC001098981560 763417820 /nfs/dbraw/zinc/41/78/20/763417820.db2.gz DTGQWIQNDREGEU-INIZCTEOSA-N 1 1 340.464 0.906 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001046936956 763419896 /nfs/dbraw/zinc/41/98/96/763419896.db2.gz YYKKFLXQRNSBFT-NSHDSACASA-N 1 1 327.331 0.689 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001046936956 763419901 /nfs/dbraw/zinc/41/99/01/763419901.db2.gz YYKKFLXQRNSBFT-NSHDSACASA-N 1 1 327.331 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc([C@H](C)OC)no2)C1 ZINC001030462010 763433577 /nfs/dbraw/zinc/43/35/77/763433577.db2.gz HICWKQMVKYZINX-JSGCOSHPSA-N 1 1 347.419 0.175 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc([C@H](C)OC)no2)C1 ZINC001030462010 763433583 /nfs/dbraw/zinc/43/35/83/763433583.db2.gz HICWKQMVKYZINX-JSGCOSHPSA-N 1 1 347.419 0.175 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCC1(F)F ZINC001046947652 763439640 /nfs/dbraw/zinc/43/96/40/763439640.db2.gz VHVFWRIVWFSBNV-GJZGRUSLSA-N 1 1 343.418 0.540 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C(C)(C)C)o2)C1 ZINC001030463434 763444507 /nfs/dbraw/zinc/44/45/07/763444507.db2.gz MZQIZWSUFGCQNU-AWEZNQCLSA-N 1 1 345.447 0.765 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C(C)(C)C)o2)C1 ZINC001030463434 763444513 /nfs/dbraw/zinc/44/45/13/763444513.db2.gz MZQIZWSUFGCQNU-AWEZNQCLSA-N 1 1 345.447 0.765 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001046951466 763448174 /nfs/dbraw/zinc/44/81/74/763448174.db2.gz LTEVQCCOBRCUGW-LBPRGKRZSA-N 1 1 338.358 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001046951466 763448178 /nfs/dbraw/zinc/44/81/78/763448178.db2.gz LTEVQCCOBRCUGW-LBPRGKRZSA-N 1 1 338.358 0.734 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001046960825 763466819 /nfs/dbraw/zinc/46/68/19/763466819.db2.gz DIKRVVWAGWXWLC-GFCCVEGCSA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001046960825 763466826 /nfs/dbraw/zinc/46/68/26/763466826.db2.gz DIKRVVWAGWXWLC-GFCCVEGCSA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)nc2OC)C1 ZINC001046961851 763470025 /nfs/dbraw/zinc/47/00/25/763470025.db2.gz SVKRKZBIUJOXJM-NSHDSACASA-N 1 1 326.347 0.749 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)nc2OC)C1 ZINC001046961851 763470030 /nfs/dbraw/zinc/47/00/30/763470030.db2.gz SVKRKZBIUJOXJM-NSHDSACASA-N 1 1 326.347 0.749 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 ZINC001046967477 763482124 /nfs/dbraw/zinc/48/21/24/763482124.db2.gz RGAONDRRMMEWBJ-NSHDSACASA-N 1 1 339.342 0.628 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 ZINC001046967477 763482129 /nfs/dbraw/zinc/48/21/29/763482129.db2.gz RGAONDRRMMEWBJ-NSHDSACASA-N 1 1 339.342 0.628 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046972022 763491805 /nfs/dbraw/zinc/49/18/05/763491805.db2.gz YJEHGOQCAMOMIE-SDDRHHMPSA-N 1 1 331.363 0.279 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046979731 763500652 /nfs/dbraw/zinc/50/06/52/763500652.db2.gz AGKFUKVQUBNTEK-GFCCVEGCSA-N 1 1 341.358 0.136 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001046985757 763515640 /nfs/dbraw/zinc/51/56/40/763515640.db2.gz ICTCFWAQSWACIB-GFCCVEGCSA-N 1 1 348.357 0.753 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001046985757 763515647 /nfs/dbraw/zinc/51/56/47/763515647.db2.gz ICTCFWAQSWACIB-GFCCVEGCSA-N 1 1 348.357 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001046985936 763516436 /nfs/dbraw/zinc/51/64/36/763516436.db2.gz KVZYPWGPALKDOG-STQMWFEESA-N 1 1 342.390 0.626 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001046985936 763516439 /nfs/dbraw/zinc/51/64/39/763516439.db2.gz KVZYPWGPALKDOG-STQMWFEESA-N 1 1 342.390 0.626 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnn(C)c2OC)C1 ZINC001046990510 763523220 /nfs/dbraw/zinc/52/32/20/763523220.db2.gz SEMUXEXLLSXFBW-NSHDSACASA-N 1 1 326.347 0.749 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnn(C)c2OC)C1 ZINC001046990510 763523224 /nfs/dbraw/zinc/52/32/24/763523224.db2.gz SEMUXEXLLSXFBW-NSHDSACASA-N 1 1 326.347 0.749 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001046993050 763528617 /nfs/dbraw/zinc/52/86/17/763528617.db2.gz JLYCXASNZRFHAR-GFCCVEGCSA-N 1 1 338.358 0.824 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001046997094 763538645 /nfs/dbraw/zinc/53/86/45/763538645.db2.gz TXPXZZYCHOWHHR-GFCCVEGCSA-N 1 1 348.357 0.753 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001046997094 763538647 /nfs/dbraw/zinc/53/86/47/763538647.db2.gz TXPXZZYCHOWHHR-GFCCVEGCSA-N 1 1 348.357 0.753 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc(C)on3)C2)CC1 ZINC001051999154 763554222 /nfs/dbraw/zinc/55/42/22/763554222.db2.gz FTDLNJWPFCKWBN-KRWDZBQOSA-N 1 1 330.432 0.767 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)CC1 ZINC001052013176 763585229 /nfs/dbraw/zinc/58/52/29/763585229.db2.gz SFTJOBZOPQPQNA-HOTGVXAUSA-N 1 1 333.432 0.181 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)N2CCC2)C3)c[nH]1 ZINC001047052985 763597348 /nfs/dbraw/zinc/59/73/48/763597348.db2.gz ORRZTCUJGNPIBW-BJJXKVORSA-N 1 1 341.415 0.701 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nccc(C)n3)C2)CC1 ZINC001052022365 763607004 /nfs/dbraw/zinc/60/70/04/763607004.db2.gz UMHYPIQUZHPNAL-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C)nn3)C2)CC1 ZINC001052026486 763620163 /nfs/dbraw/zinc/62/01/63/763620163.db2.gz PRYMVOOGMQWPGG-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3ncccc3C#N)C2)O1 ZINC001047071263 763628291 /nfs/dbraw/zinc/62/82/91/763628291.db2.gz LICPEOQYQLZERE-RRCSTGOVSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3ncccc3C#N)C2)O1 ZINC001047071263 763628294 /nfs/dbraw/zinc/62/82/94/763628294.db2.gz LICPEOQYQLZERE-RRCSTGOVSA-N 1 1 343.431 0.979 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030416 763628798 /nfs/dbraw/zinc/62/87/98/763628798.db2.gz NRKJRENWQOCHHM-JKSUJKDBSA-N 1 1 329.448 0.375 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnn3C(C)C)C2)CC1 ZINC001052032695 763635178 /nfs/dbraw/zinc/63/51/78/763635178.db2.gz IXWQSTLLMQAYKK-MRXNPFEDSA-N 1 1 329.448 0.929 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052035892 763645258 /nfs/dbraw/zinc/64/52/58/763645258.db2.gz STLROYWRRNEPTN-HNNXBMFYSA-N 1 1 329.448 0.847 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4n3CCC4)C2)CC1 ZINC001052037363 763655754 /nfs/dbraw/zinc/65/57/54/763655754.db2.gz LQSLUWQCDHIPJX-HNNXBMFYSA-N 1 1 329.448 0.847 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000941231877 763662180 /nfs/dbraw/zinc/66/21/80/763662180.db2.gz XIZWLDNCTWDRKQ-KGLIPLIRSA-N 1 1 326.462 0.804 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(CC)CCNC3=O)C2)CC1 ZINC001052041632 763668050 /nfs/dbraw/zinc/66/80/50/763668050.db2.gz NJRAYTVFZRQFBH-VQIMIIECSA-N 1 1 346.475 0.145 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(C)c3Cl)C2)CC1 ZINC001052045155 763682196 /nfs/dbraw/zinc/68/21/96/763682196.db2.gz QNWGRLPABBVZAF-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCc4nccn4C3)C2)CC1 ZINC001052045445 763683430 /nfs/dbraw/zinc/68/34/30/763683430.db2.gz SXQSHZUDMZCUMU-HOTGVXAUSA-N 1 1 342.447 0.188 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052047046 763688888 /nfs/dbraw/zinc/68/88/88/763688888.db2.gz HNDOMJSOEADOKI-ROUUACIJSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4ccccn34)C2)CC1 ZINC001052048382 763695334 /nfs/dbraw/zinc/69/53/34/763695334.db2.gz RRQDRKYDXDGAGM-MRXNPFEDSA-N 1 1 337.427 0.800 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052048709 763697903 /nfs/dbraw/zinc/69/79/03/763697903.db2.gz BYVVYCKVGXTOMU-GOSISDBHSA-N 1 1 343.475 0.742 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc(OC)c3)C2)CC1 ZINC001052048606 763698168 /nfs/dbraw/zinc/69/81/68/763698168.db2.gz YWWHLTDATGOAGO-QGZVFWFLSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052049171 763700268 /nfs/dbraw/zinc/70/02/68/763700268.db2.gz IPRAKFZTULAXNQ-KRWDZBQOSA-N 1 1 331.464 0.904 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052049171 763700273 /nfs/dbraw/zinc/70/02/73/763700273.db2.gz IPRAKFZTULAXNQ-KRWDZBQOSA-N 1 1 331.464 0.904 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052050496 763707332 /nfs/dbraw/zinc/70/73/32/763707332.db2.gz VRRSFRVCAPVESR-KRWDZBQOSA-N 1 1 329.448 0.352 20 30 ECEDMO C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)c1cnn(C)c1 ZINC001052053477 763719059 /nfs/dbraw/zinc/71/90/59/763719059.db2.gz MCGKFMZETJROBG-DOTOQJQBSA-N 1 1 344.463 0.656 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)CC1 ZINC001052054778 763722027 /nfs/dbraw/zinc/72/20/27/763722027.db2.gz CRXONUZJUNKROP-SJORKVTESA-N 1 1 347.463 0.512 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(CCF)c3)C2)C1=O ZINC001015037705 763723395 /nfs/dbraw/zinc/72/33/95/763723395.db2.gz KQQRPGDBVWKTQI-LSDHHAIUSA-N 1 1 349.410 0.444 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(CCF)c3)C2)C1=O ZINC001015037705 763723401 /nfs/dbraw/zinc/72/34/01/763723401.db2.gz KQQRPGDBVWKTQI-LSDHHAIUSA-N 1 1 349.410 0.444 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)CC1 ZINC001052055297 763723710 /nfs/dbraw/zinc/72/37/10/763723710.db2.gz JWZOTYCGTDSXGE-BBWFWOEESA-N 1 1 332.448 0.544 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)CC1 ZINC001052059881 763738990 /nfs/dbraw/zinc/73/89/90/763738990.db2.gz RQNBGTRTUXZKNT-OAHLLOKOSA-N 1 1 331.420 0.162 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)nc3OC)C2)CC1 ZINC001052060800 763741411 /nfs/dbraw/zinc/74/14/11/763741411.db2.gz MQLAMAJFVDVNGB-OAHLLOKOSA-N 1 1 345.447 0.284 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000995149893 763748578 /nfs/dbraw/zinc/74/85/78/763748578.db2.gz YOWZTFOFZHIBBR-MRXNPFEDSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052068561 763762719 /nfs/dbraw/zinc/76/27/19/763762719.db2.gz JMYKOVFZKGIHDA-CABCVRRESA-N 1 1 342.447 0.076 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052068565 763763472 /nfs/dbraw/zinc/76/34/72/763763472.db2.gz JMYKOVFZKGIHDA-LSDHHAIUSA-N 1 1 342.447 0.076 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052069266 763764293 /nfs/dbraw/zinc/76/42/93/763764293.db2.gz VZCBXDMJUUEPRJ-LSDHHAIUSA-N 1 1 344.463 0.629 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052069266 763764300 /nfs/dbraw/zinc/76/43/00/763764300.db2.gz VZCBXDMJUUEPRJ-LSDHHAIUSA-N 1 1 344.463 0.629 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052069265 763764971 /nfs/dbraw/zinc/76/49/71/763764971.db2.gz VZCBXDMJUUEPRJ-HUUCEWRRSA-N 1 1 344.463 0.629 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052069265 763764974 /nfs/dbraw/zinc/76/49/74/763764974.db2.gz VZCBXDMJUUEPRJ-HUUCEWRRSA-N 1 1 344.463 0.629 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3cnn(C)c3)C2)CC1 ZINC001052070623 763769918 /nfs/dbraw/zinc/76/99/18/763769918.db2.gz KBKDNKAXAMIYEU-MRXNPFEDSA-N 1 1 345.447 0.041 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)c1cncnc1 ZINC001052071051 763770749 /nfs/dbraw/zinc/77/07/49/763770749.db2.gz OXVKSLKGPDHSOZ-GDBMZVCRSA-N 1 1 328.420 0.322 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3cncnc3)C2)CC1 ZINC001052071747 763773362 /nfs/dbraw/zinc/77/33/62/763773362.db2.gz YRYLUALYKTWUSK-AEFFLSMTSA-N 1 1 341.459 0.822 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C(F)F)n[nH]3)C2)CC1 ZINC001052079525 763793913 /nfs/dbraw/zinc/79/39/13/763793913.db2.gz CCBWGFQWPNYMCC-GFCCVEGCSA-N 1 1 337.374 0.813 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)C2)CC1 ZINC001052082564 763801904 /nfs/dbraw/zinc/80/19/04/763801904.db2.gz UOSUQXNKGJMVEE-GJZGRUSLSA-N 1 1 342.447 0.572 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052083925 763806449 /nfs/dbraw/zinc/80/64/49/763806449.db2.gz QZMRWNTYJZAPCL-GOSISDBHSA-N 1 1 346.519 0.960 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052083925 763806462 /nfs/dbraw/zinc/80/64/62/763806462.db2.gz QZMRWNTYJZAPCL-GOSISDBHSA-N 1 1 346.519 0.960 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)CC1 ZINC001052085259 763810529 /nfs/dbraw/zinc/81/05/29/763810529.db2.gz BPJSRTFYKVJAPG-AWEZNQCLSA-N 1 1 346.431 0.814 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)CC1 ZINC001052085259 763810535 /nfs/dbraw/zinc/81/05/35/763810535.db2.gz BPJSRTFYKVJAPG-AWEZNQCLSA-N 1 1 346.431 0.814 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4c(c3)CCO4)C2)CC1 ZINC001052087474 763818329 /nfs/dbraw/zinc/81/83/29/763818329.db2.gz WTOFVKPESOTKOW-KRWDZBQOSA-N 1 1 340.427 0.977 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C3CCN(CC#N)CC3)C2)C1 ZINC001047229399 763818833 /nfs/dbraw/zinc/81/88/33/763818833.db2.gz RADQYRDJXVYHGL-DLBZAZTESA-N 1 1 334.464 0.791 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C3CCN(CC#N)CC3)C2)C1 ZINC001047229399 763818842 /nfs/dbraw/zinc/81/88/42/763818842.db2.gz RADQYRDJXVYHGL-DLBZAZTESA-N 1 1 334.464 0.791 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(COC)on3)C2)CC1 ZINC001052094153 763840369 /nfs/dbraw/zinc/84/03/69/763840369.db2.gz YUWLIRHBYKNTMQ-CQSZACIVSA-N 1 1 334.420 0.839 20 30 ECEDMO C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052103877 763871060 /nfs/dbraw/zinc/87/10/60/763871060.db2.gz VPWFVCOTGUHTPV-DOTOQJQBSA-N 1 1 344.463 0.341 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNc1snc(C)c1C#N ZINC001106026836 763873592 /nfs/dbraw/zinc/87/35/92/763873592.db2.gz SZTAPMGSQRLCHW-LLVKDONJSA-N 1 1 334.405 0.417 20 30 ECEDMO C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)N1CCCC1=O ZINC001052106049 763878928 /nfs/dbraw/zinc/87/89/28/763878928.db2.gz ABNHLYZXXITJNI-HZPDHXFCSA-N 1 1 347.463 0.129 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106202 763880278 /nfs/dbraw/zinc/88/02/78/763880278.db2.gz FMMUSWXHBQRPBJ-ZBFHGGJFSA-N 1 1 342.447 0.257 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)c1cccnc1 ZINC001052107778 763888919 /nfs/dbraw/zinc/88/89/19/763888919.db2.gz GZSYZGVTDUJUOQ-WBVHZDCISA-N 1 1 327.432 0.927 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#CC)CC3)C2)cn1 ZINC001052109684 763897150 /nfs/dbraw/zinc/89/71/50/763897150.db2.gz GLJBTOCBKCHYRD-LJQANCHMSA-N 1 1 336.439 0.918 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(C)c3OC)C2)CC1 ZINC001052113153 763910616 /nfs/dbraw/zinc/91/06/16/763910616.db2.gz NUNOHPGXQXQRNX-CQSZACIVSA-N 1 1 333.436 0.447 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113230 763911088 /nfs/dbraw/zinc/91/10/88/763911088.db2.gz PRVUEMBBKFVVDL-IRXDYDNUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113230 763911090 /nfs/dbraw/zinc/91/10/90/763911090.db2.gz PRVUEMBBKFVVDL-IRXDYDNUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C2)CC1 ZINC001052114147 763915172 /nfs/dbraw/zinc/91/51/72/763915172.db2.gz HEMLPPZZLHPGDH-CQSZACIVSA-N 1 1 347.419 0.326 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001015121586 763938887 /nfs/dbraw/zinc/93/88/87/763938887.db2.gz VPAABLGPZVBNCW-UKRRQHHQSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001015121586 763938894 /nfs/dbraw/zinc/93/88/94/763938894.db2.gz VPAABLGPZVBNCW-UKRRQHHQSA-N 1 1 329.404 0.376 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001047310300 763951325 /nfs/dbraw/zinc/95/13/25/763951325.db2.gz PXNUZJLJAVBJBD-MELADBBJSA-N 1 1 328.420 0.997 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047323941 763998282 /nfs/dbraw/zinc/99/82/82/763998282.db2.gz BXSWOZBQOSGZMF-PMPSAXMXSA-N 1 1 348.472 0.717 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000942200725 764071742 /nfs/dbraw/zinc/07/17/42/764071742.db2.gz NXNLDQDIDBCHGL-JSGCOSHPSA-N 1 1 342.871 0.340 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000942200725 764071745 /nfs/dbraw/zinc/07/17/45/764071745.db2.gz NXNLDQDIDBCHGL-JSGCOSHPSA-N 1 1 342.871 0.340 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000942200727 764072202 /nfs/dbraw/zinc/07/22/02/764072202.db2.gz NXNLDQDIDBCHGL-TZMCWYRMSA-N 1 1 342.871 0.340 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000942200727 764072206 /nfs/dbraw/zinc/07/22/06/764072206.db2.gz NXNLDQDIDBCHGL-TZMCWYRMSA-N 1 1 342.871 0.340 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001047353108 764087705 /nfs/dbraw/zinc/08/77/05/764087705.db2.gz ZEQKJGZZWUAGLM-KCXAZCMYSA-N 1 1 332.404 0.430 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001047354782 764093821 /nfs/dbraw/zinc/09/38/21/764093821.db2.gz KZWLBLSIIIIPPT-RYUDHWBXSA-N 1 1 330.310 0.956 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001047354782 764093828 /nfs/dbraw/zinc/09/38/28/764093828.db2.gz KZWLBLSIIIIPPT-RYUDHWBXSA-N 1 1 330.310 0.956 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cn(CC)nc3C)C2)C1=O ZINC001032015618 764124969 /nfs/dbraw/zinc/12/49/69/764124969.db2.gz XEEMYXCFDMUYCB-INIZCTEOSA-N 1 1 345.447 0.660 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001047376722 764159455 /nfs/dbraw/zinc/15/94/55/764159455.db2.gz UOPLEURKCGEEBZ-HOTGVXAUSA-N 1 1 329.404 0.718 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncc(OC)cn3)C2)C1=O ZINC001015212599 764160175 /nfs/dbraw/zinc/16/01/75/764160175.db2.gz QJLIMCMTBGCJTE-GXTWGEPZSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncc(OC)cn3)C2)C1=O ZINC001015212599 764160180 /nfs/dbraw/zinc/16/01/80/764160180.db2.gz QJLIMCMTBGCJTE-GXTWGEPZSA-N 1 1 345.403 0.076 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCNc1ccnc(C#N)n1 ZINC001106361778 768195739 /nfs/dbraw/zinc/19/57/39/768195739.db2.gz IZEXCMGVSDGKEZ-ZIAGYGMSSA-N 1 1 330.436 0.951 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C3CCC3)cnn2C)C1 ZINC001047387998 764186908 /nfs/dbraw/zinc/18/69/08/764186908.db2.gz WYDDIAQJDKEKMR-HOTGVXAUSA-N 1 1 330.432 0.828 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001047393148 764199689 /nfs/dbraw/zinc/19/96/89/764199689.db2.gz XEZLKKUANQFBMG-IKGGRYGDSA-N 1 1 349.475 0.715 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001047402879 764229872 /nfs/dbraw/zinc/22/98/72/764229872.db2.gz XGEPYTKLGMOORF-ILXRZTDVSA-N 1 1 335.448 0.160 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001047402879 764229878 /nfs/dbraw/zinc/22/98/78/764229878.db2.gz XGEPYTKLGMOORF-ILXRZTDVSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001032041966 764261030 /nfs/dbraw/zinc/26/10/30/764261030.db2.gz HXPXCDHWRUMEIN-DOTOQJQBSA-N 1 1 326.400 0.282 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ncccc23)C1 ZINC001047412390 764263441 /nfs/dbraw/zinc/26/34/41/764263441.db2.gz OCWGWJVBNQXNEE-HOTGVXAUSA-N 1 1 329.404 0.813 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001047412406 764263989 /nfs/dbraw/zinc/26/39/89/764263989.db2.gz OQNYYBDOGNXNKT-KBPBESRZSA-N 1 1 343.383 0.158 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001047412406 764263998 /nfs/dbraw/zinc/26/39/98/764263998.db2.gz OQNYYBDOGNXNKT-KBPBESRZSA-N 1 1 343.383 0.158 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001047412762 764265225 /nfs/dbraw/zinc/26/52/25/764265225.db2.gz GNRMYXOFHVHIGC-ROUUACIJSA-N 1 1 346.475 0.614 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001047412762 764265232 /nfs/dbraw/zinc/26/52/32/764265232.db2.gz GNRMYXOFHVHIGC-ROUUACIJSA-N 1 1 346.475 0.614 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001047415113 764273736 /nfs/dbraw/zinc/27/37/36/764273736.db2.gz HNWBYFCLEOPMIX-VGWMRTNUSA-N 1 1 325.428 0.336 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001047415113 764273742 /nfs/dbraw/zinc/27/37/42/764273742.db2.gz HNWBYFCLEOPMIX-VGWMRTNUSA-N 1 1 325.428 0.336 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001047426876 764311099 /nfs/dbraw/zinc/31/10/99/764311099.db2.gz KYKQKGFJIYQTTG-BPUTZDHNSA-N 1 1 348.447 0.538 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001015288939 764313202 /nfs/dbraw/zinc/31/32/02/764313202.db2.gz HNLQKOUZBHRUEZ-AWEZNQCLSA-N 1 1 329.466 0.569 20 30 ECEDMO C=CCOc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)cc1 ZINC001047433233 764331567 /nfs/dbraw/zinc/33/15/67/764331567.db2.gz FOMNHULMUJXMIG-COXVUDFISA-N 1 1 334.416 0.749 20 30 ECEDMO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)C1CC(=O)NC(=O)C1 ZINC001032051592 764333435 /nfs/dbraw/zinc/33/34/35/764333435.db2.gz VJWLJNHBMPGXIL-UHFFFAOYSA-N 1 1 339.395 0.139 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(c4ccnc(C#N)n4)C[C@@]3(C)C2)C1 ZINC001052365353 764340578 /nfs/dbraw/zinc/34/05/78/764340578.db2.gz AEZRUKBNSSSODU-IYOUNJFTSA-N 1 1 340.431 0.585 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnc(C)n3c2)C1 ZINC001047437393 764341804 /nfs/dbraw/zinc/34/18/04/764341804.db2.gz QYULLIMNNHWQNG-GJZGRUSLSA-N 1 1 329.404 0.731 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnc(C)n3c2)C1 ZINC001047437407 764341837 /nfs/dbraw/zinc/34/18/37/764341837.db2.gz SEWNJQRSRLGEGL-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnc(C)n3c2)C1 ZINC001047437407 764341842 /nfs/dbraw/zinc/34/18/42/764341842.db2.gz SEWNJQRSRLGEGL-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001047469863 764432680 /nfs/dbraw/zinc/43/26/80/764432680.db2.gz ABZOYMAHFFGQBS-HOTGVXAUSA-N 1 1 342.399 0.821 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001047470275 764434157 /nfs/dbraw/zinc/43/41/57/764434157.db2.gz LYSCBNCAJLUXPM-KBPBESRZSA-N 1 1 331.376 0.378 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001047470275 764434160 /nfs/dbraw/zinc/43/41/60/764434160.db2.gz LYSCBNCAJLUXPM-KBPBESRZSA-N 1 1 331.376 0.378 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)CC1 ZINC001052412393 764434536 /nfs/dbraw/zinc/43/45/36/764434536.db2.gz UYJGEZGLQWJVJF-AWEZNQCLSA-N 1 1 332.452 0.965 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C(=O)COC)CC2 ZINC000995333009 764446534 /nfs/dbraw/zinc/44/65/34/764446534.db2.gz KVQLLFQEZZHNCK-FRQCXROJSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C(=O)COC)CC2 ZINC000995333009 764446544 /nfs/dbraw/zinc/44/65/44/764446544.db2.gz KVQLLFQEZZHNCK-FRQCXROJSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001047478139 764460495 /nfs/dbraw/zinc/46/04/95/764460495.db2.gz NAAHSNQGCBJSNF-HOTGVXAUSA-N 1 1 343.431 0.970 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CNC(=O)C1 ZINC001015378221 764478588 /nfs/dbraw/zinc/47/85/88/764478588.db2.gz VEKPFMFRRFNODX-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CNC(=O)C1 ZINC001015378221 764478593 /nfs/dbraw/zinc/47/85/93/764478593.db2.gz VEKPFMFRRFNODX-KDOFPFPSSA-N 1 1 344.390 0.914 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001047499765 764520315 /nfs/dbraw/zinc/52/03/15/764520315.db2.gz QNXOZEOBLVRVJA-ULQDDVLXSA-N 1 1 339.480 0.565 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnon2)CC1 ZINC001052456354 764537394 /nfs/dbraw/zinc/53/73/94/764537394.db2.gz FIEXJROQMIFWKU-HOCLYGCPSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnon2)CC1 ZINC001052456354 764537399 /nfs/dbraw/zinc/53/73/99/764537399.db2.gz FIEXJROQMIFWKU-HOCLYGCPSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001052457297 764541502 /nfs/dbraw/zinc/54/15/02/764541502.db2.gz QXTSOCNHOHCHPF-RDJZCZTQSA-N 1 1 346.475 0.333 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)C[C@H](NC(=O)CNC(N)=O)c1ccccc1O2 ZINC001111528888 764547853 /nfs/dbraw/zinc/54/78/53/764547853.db2.gz ANZJDIQYRZAABB-KSSFIOAISA-N 1 1 342.399 0.372 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@@H]2O)CC1 ZINC001047512920 764556715 /nfs/dbraw/zinc/55/67/15/764556715.db2.gz XOODLJUKMPTVEF-ULQDDVLXSA-N 1 1 349.475 0.857 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@@H]2O)CC1 ZINC001047512920 764556720 /nfs/dbraw/zinc/55/67/20/764556720.db2.gz XOODLJUKMPTVEF-ULQDDVLXSA-N 1 1 349.475 0.857 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001047523973 764585903 /nfs/dbraw/zinc/58/59/03/764585903.db2.gz BBWLRLAYTMORSJ-ROUUACIJSA-N 1 1 325.412 0.813 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001047523973 764585909 /nfs/dbraw/zinc/58/59/09/764585909.db2.gz BBWLRLAYTMORSJ-ROUUACIJSA-N 1 1 325.412 0.813 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-c3ncon3)c2)C1 ZINC001047524902 764590470 /nfs/dbraw/zinc/59/04/70/764590470.db2.gz VEIQCYFWMKNKOZ-HOTGVXAUSA-N 1 1 340.383 0.877 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-c3ncon3)c2)C1 ZINC001047524902 764590472 /nfs/dbraw/zinc/59/04/72/764590472.db2.gz VEIQCYFWMKNKOZ-HOTGVXAUSA-N 1 1 340.383 0.877 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001047527876 764599648 /nfs/dbraw/zinc/59/96/48/764599648.db2.gz JBVUQMHRBAZFST-XIRDDKMYSA-N 1 1 330.432 0.281 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001047531397 764613926 /nfs/dbraw/zinc/61/39/26/764613926.db2.gz OGFCGWOKWMEQBX-ULQDDVLXSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnc3ccccc3c2O)C1 ZINC001047548561 764661087 /nfs/dbraw/zinc/66/10/87/764661087.db2.gz CGUYTFVVOCYDFB-GJZGRUSLSA-N 1 1 340.383 0.476 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001047550121 764666957 /nfs/dbraw/zinc/66/69/57/764666957.db2.gz PSVNNPPHOXMZRN-KKUMJFAQSA-N 1 1 344.477 0.281 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001047550121 764666963 /nfs/dbraw/zinc/66/69/63/764666963.db2.gz PSVNNPPHOXMZRN-KKUMJFAQSA-N 1 1 344.477 0.281 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001089884915 764687813 /nfs/dbraw/zinc/68/78/13/764687813.db2.gz WTAXFWYRRQBSPE-PCBIJLKTSA-N 1 1 326.400 0.529 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cncn3C)CC2)C1=O ZINC001052532358 764705414 /nfs/dbraw/zinc/70/54/14/764705414.db2.gz DQOMLONGCSGUDE-CABCVRRESA-N 1 1 345.447 0.791 20 30 ECEDMO CN(C(=O)c1ccncn1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047567581 764713328 /nfs/dbraw/zinc/71/33/28/764713328.db2.gz MZDKTDNUXXVOTO-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)c1ccncn1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047567581 764713334 /nfs/dbraw/zinc/71/33/34/764713334.db2.gz MZDKTDNUXXVOTO-IRXDYDNUSA-N 1 1 337.383 0.666 20 30 ECEDMO C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)NC(=O)C(F)(F)F)C[C@H]1C ZINC001107022927 764716639 /nfs/dbraw/zinc/71/66/39/764716639.db2.gz BCZQIJVWKCWLNI-GHMZBOCLSA-N 1 1 333.354 0.761 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC001047568337 764717129 /nfs/dbraw/zinc/71/71/29/764717129.db2.gz SQEKOQZWIJTNMO-GJZGRUSLSA-N 1 1 332.448 0.858 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CC)n2)C1 ZINC001047569689 764720854 /nfs/dbraw/zinc/72/08/54/764720854.db2.gz GCGDYBCVONBCSW-GJZGRUSLSA-N 1 1 334.420 0.347 20 30 ECEDMO CN(C(=O)c1ncccn1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047574396 764740411 /nfs/dbraw/zinc/74/04/11/764740411.db2.gz LEWXBTFOAXLRQI-HOTGVXAUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)c1ncccn1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047574396 764740413 /nfs/dbraw/zinc/74/04/13/764740413.db2.gz LEWXBTFOAXLRQI-HOTGVXAUSA-N 1 1 337.383 0.666 20 30 ECEDMO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047577091 764751204 /nfs/dbraw/zinc/75/12/04/764751204.db2.gz YTPKTHDXSMSWQU-HOTGVXAUSA-N 1 1 339.399 0.528 20 30 ECEDMO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047577091 764751210 /nfs/dbraw/zinc/75/12/10/764751210.db2.gz YTPKTHDXSMSWQU-HOTGVXAUSA-N 1 1 339.399 0.528 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1 ZINC001015505232 764821874 /nfs/dbraw/zinc/82/18/74/764821874.db2.gz SSLKBEMJWHAIBS-GDBMZVCRSA-N 1 1 342.399 0.416 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(C)=O)c2C)C1 ZINC001047597705 764827685 /nfs/dbraw/zinc/82/76/85/764827685.db2.gz XADPFAVVPWCIHQ-IRXDYDNUSA-N 1 1 329.400 0.704 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(C)=O)c2C)C1 ZINC001047597705 764827691 /nfs/dbraw/zinc/82/76/91/764827691.db2.gz XADPFAVVPWCIHQ-IRXDYDNUSA-N 1 1 329.400 0.704 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)cn1 ZINC001047599236 764836327 /nfs/dbraw/zinc/83/63/27/764836327.db2.gz MYZDTRKPAMFFKR-SQNIBIBYSA-N 1 1 343.427 0.749 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](CC)OC)C[C@@H]2O)nc1 ZINC001047601645 764845703 /nfs/dbraw/zinc/84/57/03/764845703.db2.gz DWZZEALYZRGRJU-XIRDDKMYSA-N 1 1 331.416 0.605 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC001047609803 764870126 /nfs/dbraw/zinc/87/01/26/764870126.db2.gz LKWIUSRRMNFWDU-PMPSAXMXSA-N 1 1 337.464 0.905 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001047618760 764899356 /nfs/dbraw/zinc/89/93/56/764899356.db2.gz NDGJAAGHEZJNIF-KBPBESRZSA-N 1 1 344.419 0.434 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCCC2=O)C1 ZINC001047619791 764902137 /nfs/dbraw/zinc/90/21/37/764902137.db2.gz ZJGWXEIAIJQWBY-HOTGVXAUSA-N 1 1 337.464 0.859 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCCO3)C1 ZINC001047623422 764909005 /nfs/dbraw/zinc/90/90/05/764909005.db2.gz KPHYXKAFGUOWEF-GJZGRUSLSA-N 1 1 330.384 0.598 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)OCCO3)C1 ZINC001047623422 764909012 /nfs/dbraw/zinc/90/90/12/764909012.db2.gz KPHYXKAFGUOWEF-GJZGRUSLSA-N 1 1 330.384 0.598 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047623826 764910353 /nfs/dbraw/zinc/91/03/53/764910353.db2.gz AVWUQFWLTXVNIE-PVAVHDDUSA-N 1 1 347.459 0.304 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001047623826 764910359 /nfs/dbraw/zinc/91/03/59/764910359.db2.gz AVWUQFWLTXVNIE-PVAVHDDUSA-N 1 1 347.459 0.304 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(=O)oc3ccccc32)C1 ZINC001047624013 764911899 /nfs/dbraw/zinc/91/18/99/764911899.db2.gz CALQQFXKSWSENJ-GJZGRUSLSA-N 1 1 343.383 0.121 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(=O)oc3ccccc32)C1 ZINC001047624013 764911903 /nfs/dbraw/zinc/91/19/03/764911903.db2.gz CALQQFXKSWSENJ-GJZGRUSLSA-N 1 1 343.383 0.121 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(N)=O)c2)C1 ZINC001047624003 764912236 /nfs/dbraw/zinc/91/22/36/764912236.db2.gz BFERKRQQCVYEMB-GJZGRUSLSA-N 1 1 332.404 0.870 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C ZINC001089060401 764917933 /nfs/dbraw/zinc/91/79/33/764917933.db2.gz KDOTTXIVMGLPGI-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001106399122 768252298 /nfs/dbraw/zinc/25/22/98/768252298.db2.gz REARPNPESLQHKT-DYVFJYSZSA-N 1 1 328.420 0.563 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)nn1 ZINC001098774968 764981516 /nfs/dbraw/zinc/98/15/16/764981516.db2.gz VRPVBDVCBAHQRO-HOTGVXAUSA-N 1 1 346.435 0.338 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC001052699809 765005732 /nfs/dbraw/zinc/00/57/32/765005732.db2.gz BXKLKMHCUSVCLG-NSHDSACASA-N 1 1 341.437 0.218 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001017659263 768260137 /nfs/dbraw/zinc/26/01/37/768260137.db2.gz TYQGBVMLGPZSQD-GOEBONIOSA-N 1 1 348.447 0.530 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](NC(C)=O)C(C)C)C2)nn1 ZINC001098775360 765023518 /nfs/dbraw/zinc/02/35/18/765023518.db2.gz YRSZLCJVEGIKQR-HZPDHXFCSA-N 1 1 348.451 0.488 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001052721975 765043776 /nfs/dbraw/zinc/04/37/76/765043776.db2.gz JIADXXLSIKGAGJ-BMFZPTHFSA-N 1 1 335.448 0.827 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001017661895 768263085 /nfs/dbraw/zinc/26/30/85/768263085.db2.gz CGZTUCMNLNITAV-GASCZTMLSA-N 1 1 326.400 0.422 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)CC2)nn1 ZINC001052774762 765096623 /nfs/dbraw/zinc/09/66/23/765096623.db2.gz IOLWRQCWLAXXIK-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)CC2)nn1 ZINC001052775711 765099217 /nfs/dbraw/zinc/09/92/17/765099217.db2.gz XCYOLHBAJZJQKF-HIFRSBDPSA-N 1 1 346.435 0.327 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)CSCC#N)[C@H](C)C1 ZINC001052781623 765107702 /nfs/dbraw/zinc/10/77/02/765107702.db2.gz AZRLVHQHGRYMJT-ZIAGYGMSSA-N 1 1 340.493 0.794 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccn(C)c3C)C2)C1=O ZINC001015669591 765144778 /nfs/dbraw/zinc/14/47/78/765144778.db2.gz DZCKTGPDNIKSML-GOEBONIOSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccn(C)c3C)C2)C1=O ZINC001015669591 765144783 /nfs/dbraw/zinc/14/47/83/765144783.db2.gz DZCKTGPDNIKSML-GOEBONIOSA-N 1 1 330.432 0.925 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001015676887 765148572 /nfs/dbraw/zinc/14/85/72/765148572.db2.gz QCMPNEHPTLUGJN-KGLIPLIRSA-N 1 1 326.462 0.968 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001015676887 765148577 /nfs/dbraw/zinc/14/85/77/765148577.db2.gz QCMPNEHPTLUGJN-KGLIPLIRSA-N 1 1 326.462 0.968 20 30 ECEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001015707029 765200339 /nfs/dbraw/zinc/20/03/39/765200339.db2.gz LQOUCRVFCBFNEJ-IXDOHACOSA-N 1 1 340.427 0.973 20 30 ECEDMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)[nH]1 ZINC001015712488 765214649 /nfs/dbraw/zinc/21/46/49/765214649.db2.gz CZMNPNCDJGMRQF-OAHLLOKOSA-N 1 1 336.395 0.969 20 30 ECEDMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)[nH]1 ZINC001015712488 765214659 /nfs/dbraw/zinc/21/46/59/765214659.db2.gz CZMNPNCDJGMRQF-OAHLLOKOSA-N 1 1 336.395 0.969 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)C2)cc1 ZINC001015712981 765216264 /nfs/dbraw/zinc/21/62/64/765216264.db2.gz ITEONSXYZQXZRQ-CQSZACIVSA-N 1 1 337.383 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001052849226 765222977 /nfs/dbraw/zinc/22/29/77/765222977.db2.gz OVUQEMWIICZCAN-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001052849226 765222980 /nfs/dbraw/zinc/22/29/80/765222980.db2.gz OVUQEMWIICZCAN-HUUCEWRRSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001077488076 765242455 /nfs/dbraw/zinc/24/24/55/765242455.db2.gz ZJFYJXQQAXQXMJ-HZPDHXFCSA-N 1 1 335.448 0.066 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001077488076 765242463 /nfs/dbraw/zinc/24/24/63/765242463.db2.gz ZJFYJXQQAXQXMJ-HZPDHXFCSA-N 1 1 335.448 0.066 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)CC2)nc1 ZINC001052876417 765278029 /nfs/dbraw/zinc/27/80/29/765278029.db2.gz VOZCJSQFGHWKBN-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC001052877838 765283709 /nfs/dbraw/zinc/28/37/09/765283709.db2.gz XLHCINPIOYGGMX-AWEZNQCLSA-N 1 1 344.415 0.424 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc4ccccn4c3=O)CCC[C@@H]12 ZINC000992052477 765297730 /nfs/dbraw/zinc/29/77/30/765297730.db2.gz SLSPKQXVUYZCNO-KDOFPFPSSA-N 1 1 341.415 0.795 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cn3nc4ccccn4c3=O)CCC[C@H]12 ZINC000992053617 765300900 /nfs/dbraw/zinc/30/09/00/765300900.db2.gz WPGVSWQDZPOVPC-KBXCAEBGSA-N 1 1 339.399 0.242 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)C2)nn1 ZINC001015810582 765368851 /nfs/dbraw/zinc/36/88/51/765368851.db2.gz MYAVEGWQMFVKHR-ZDUSSCGKSA-N 1 1 329.408 0.244 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccn(C)n3)CC2)C1=O ZINC001052931495 765372098 /nfs/dbraw/zinc/37/20/98/765372098.db2.gz WMKREAKSDBBNSR-ZBFHGGJFSA-N 1 1 345.447 0.791 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001015822237 765384793 /nfs/dbraw/zinc/38/47/93/765384793.db2.gz GDQQPTLGNWRHKU-SOLBZPMBSA-N 1 1 340.427 0.815 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001015829287 765392094 /nfs/dbraw/zinc/39/20/94/765392094.db2.gz QHIODNYPJRZNJQ-ZQIUZPCESA-N 1 1 349.431 0.307 20 30 ECEDMO Cn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)n1 ZINC001052992190 765470281 /nfs/dbraw/zinc/47/02/81/765470281.db2.gz DPYFFMRBMOYYOB-GASCZTMLSA-N 1 1 343.435 0.092 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001053030210 765502087 /nfs/dbraw/zinc/50/20/87/765502087.db2.gz COQBUSPULMWMTL-JKSUJKDBSA-N 1 1 345.447 0.166 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001053030208 765502320 /nfs/dbraw/zinc/50/23/20/765502320.db2.gz COQBUSPULMWMTL-HOTGVXAUSA-N 1 1 345.447 0.166 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC001053051499 765528641 /nfs/dbraw/zinc/52/86/41/765528641.db2.gz NFSNZDVVULCZAV-JKSUJKDBSA-N 1 1 342.443 0.978 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001053104294 765581271 /nfs/dbraw/zinc/58/12/71/765581271.db2.gz DNPMRWSJOWFTKC-HUUCEWRRSA-N 1 1 346.431 0.265 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001106093518 765598497 /nfs/dbraw/zinc/59/84/97/765598497.db2.gz YICHVRPJCBWFAC-OFQRWUPVSA-N 1 1 345.447 0.881 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)cc1C#N ZINC000992162275 765720890 /nfs/dbraw/zinc/72/08/90/765720890.db2.gz RQJMMWHQICPRRC-QAPCUYQASA-N 1 1 342.399 0.665 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001016016479 765723224 /nfs/dbraw/zinc/72/32/24/765723224.db2.gz MGRNSYNAFLBQRF-OAHLLOKOSA-N 1 1 339.399 0.831 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001016016479 765723229 /nfs/dbraw/zinc/72/32/29/765723229.db2.gz MGRNSYNAFLBQRF-OAHLLOKOSA-N 1 1 339.399 0.831 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001016019689 765725850 /nfs/dbraw/zinc/72/58/50/765725850.db2.gz PTMRBXWVRGWEOF-AWEZNQCLSA-N 1 1 340.387 0.189 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016019689 765725853 /nfs/dbraw/zinc/72/58/53/765725853.db2.gz PTMRBXWVRGWEOF-AWEZNQCLSA-N 1 1 340.387 0.189 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC001016032161 765734391 /nfs/dbraw/zinc/73/43/91/765734391.db2.gz WYZJPISEQCTRCP-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC001016032161 765734398 /nfs/dbraw/zinc/73/43/98/765734398.db2.gz WYZJPISEQCTRCP-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001106105436 765762899 /nfs/dbraw/zinc/76/28/99/765762899.db2.gz UGPIHBAVMLTKQQ-OCCSQVGLSA-N 1 1 346.435 0.141 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)CC)C[C@H](C)O2 ZINC001111534613 768329188 /nfs/dbraw/zinc/32/91/88/768329188.db2.gz BMSKYOVHRUHCLJ-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC[C@@H](O)CNc2ncccc2C#N)C1 ZINC001106108399 765850862 /nfs/dbraw/zinc/85/08/62/765850862.db2.gz HWWCUAVIAKZINY-CQSZACIVSA-N 1 1 331.420 0.574 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)CCO2 ZINC001053263739 765865632 /nfs/dbraw/zinc/86/56/32/765865632.db2.gz XAVVMLNZEHYOEB-OAHLLOKOSA-N 1 1 330.432 0.943 20 30 ECEDMO Cn1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)ccc1=O ZINC001016182887 765878018 /nfs/dbraw/zinc/87/80/18/765878018.db2.gz XILZROASAVFXDS-LLVKDONJSA-N 1 1 343.412 0.718 20 30 ECEDMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)ccc1=O ZINC001016182887 765878025 /nfs/dbraw/zinc/87/80/25/765878025.db2.gz XILZROASAVFXDS-LLVKDONJSA-N 1 1 343.412 0.718 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)C2=COCCC2)C1 ZINC000992205905 765893063 /nfs/dbraw/zinc/89/30/63/765893063.db2.gz GLGIGFNQNYZRAM-PREGVCBESA-N 1 1 345.443 0.789 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)C2=COCCC2)C1 ZINC000992205905 765893068 /nfs/dbraw/zinc/89/30/68/765893068.db2.gz GLGIGFNQNYZRAM-PREGVCBESA-N 1 1 345.443 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2nocc2C)C1 ZINC000992208588 765902502 /nfs/dbraw/zinc/90/25/02/765902502.db2.gz QZHPBHMESGMQHR-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2nocc2C)C1 ZINC000992208588 765902508 /nfs/dbraw/zinc/90/25/08/765902508.db2.gz QZHPBHMESGMQHR-NRXISQOPSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(CC(=C)Cl)C2)C1 ZINC001053291423 765919974 /nfs/dbraw/zinc/91/99/74/765919974.db2.gz OJZWZIQRZUWLNY-HNNXBMFYSA-N 1 1 337.851 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(CC(=C)Cl)C2)C1 ZINC001053291423 765919978 /nfs/dbraw/zinc/91/99/78/765919978.db2.gz OJZWZIQRZUWLNY-HNNXBMFYSA-N 1 1 337.851 0.750 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(Cc3ccon3)C2)C1 ZINC001053291335 765920305 /nfs/dbraw/zinc/92/03/05/765920305.db2.gz JXMYRUFSWHDZOC-INIZCTEOSA-N 1 1 344.415 0.185 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(Cc3ccon3)C2)C1 ZINC001053291335 765920310 /nfs/dbraw/zinc/92/03/10/765920310.db2.gz JXMYRUFSWHDZOC-INIZCTEOSA-N 1 1 344.415 0.185 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCN1C(=O)CCC1=O ZINC001099134618 766020265 /nfs/dbraw/zinc/02/02/65/766020265.db2.gz AQBJBBUMURKSPA-AWEZNQCLSA-N 1 1 333.432 0.766 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nnnn4CC3)CCC[C@@H]12 ZINC000992250237 766057915 /nfs/dbraw/zinc/05/79/15/766057915.db2.gz OCDNBXQBMYXDFW-HDMKZQKVSA-N 1 1 342.447 0.762 20 30 ECEDMO C=CCCN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)CCO2 ZINC001053392979 766072579 /nfs/dbraw/zinc/07/25/79/766072579.db2.gz HQPMJLBVXHTBNZ-MRXNPFEDSA-N 1 1 337.464 0.585 20 30 ECEDMO C=CCCN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CCO2 ZINC001053392979 766072586 /nfs/dbraw/zinc/07/25/86/766072586.db2.gz HQPMJLBVXHTBNZ-MRXNPFEDSA-N 1 1 337.464 0.585 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCS(=O)(=O)C3)CCC[C@@H]12 ZINC000992258803 766079873 /nfs/dbraw/zinc/07/98/73/766079873.db2.gz BNBQYRXUYZHEJN-BFYDXBDKSA-N 1 1 338.473 0.948 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(CC#Cc3ccccc3)C2)C1 ZINC001016307722 766087408 /nfs/dbraw/zinc/08/74/08/766087408.db2.gz VZXNYILDGCRGTC-OALUTQOASA-N 1 1 341.455 0.949 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(CC#Cc3ccccc3)C2)C1 ZINC001016307722 766087417 /nfs/dbraw/zinc/08/74/17/766087417.db2.gz VZXNYILDGCRGTC-OALUTQOASA-N 1 1 341.455 0.949 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)[C@H]1CCC(=O)N1)CCO2 ZINC001053442293 766138647 /nfs/dbraw/zinc/13/86/47/766138647.db2.gz IHWNVGOQAUEZSC-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)Cn1cc[nH+]c1C(C)C)CCO2 ZINC001053452119 766158506 /nfs/dbraw/zinc/15/85/06/766158506.db2.gz NRMRDSBWKALEFR-UHFFFAOYSA-N 1 1 330.432 0.943 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCCCN2C(=O)c2nc[nH]n2)C1=O ZINC001089241461 766193403 /nfs/dbraw/zinc/19/34/03/766193403.db2.gz GCGIMAMFJXJPQB-KBPBESRZSA-N 1 1 346.435 0.518 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001016370125 766194178 /nfs/dbraw/zinc/19/41/78/766194178.db2.gz SPUWFPYXEUDBQD-LRVUVFPRSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)[C@@H](O)C1 ZINC001083730825 768358299 /nfs/dbraw/zinc/35/82/99/768358299.db2.gz SUISVROTAYQHAK-OLZOCXBDSA-N 1 1 331.376 0.405 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc4n[nH]c(=O)n4c3)CCC[C@@H]12 ZINC000992308080 766227393 /nfs/dbraw/zinc/22/73/93/766227393.db2.gz IPJGXDLDIALWNO-CXAGYDPISA-N 1 1 325.372 0.795 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H](C)C(N)=O)CC3)nn1 ZINC000992309469 766234244 /nfs/dbraw/zinc/23/42/44/766234244.db2.gz UVCGUHDFLVHISL-FFSVYQOJSA-N 1 1 332.408 0.065 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@H](C)C(N)=O)CC3)nn1 ZINC000992309469 766234248 /nfs/dbraw/zinc/23/42/48/766234248.db2.gz UVCGUHDFLVHISL-FFSVYQOJSA-N 1 1 332.408 0.065 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCN(C)S3(=O)=O)CCC[C@@H]12 ZINC000992312362 766243012 /nfs/dbraw/zinc/24/30/12/766243012.db2.gz PMRFEJNROBEPAL-SQWLQELKSA-N 1 1 339.461 0.157 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC001016414143 766254325 /nfs/dbraw/zinc/25/43/25/766254325.db2.gz HSOYVCQQDVCDBT-GALLPEHLSA-N 1 1 343.431 0.946 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016415097 766256211 /nfs/dbraw/zinc/25/62/11/766256211.db2.gz XCHJXLGOICXXHR-XGNXJENSSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)[C@@H](O)C1 ZINC001083688771 766258897 /nfs/dbraw/zinc/25/88/97/766258897.db2.gz JHJPYRCXBJWPEJ-CVEARBPZSA-N 1 1 335.448 0.066 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2ccccn2c1=O ZINC001017781939 768365034 /nfs/dbraw/zinc/36/50/34/768365034.db2.gz NYYWMWIVUKUUAN-OKILXGFUSA-N 1 1 327.388 0.357 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2ccccn2c1=O ZINC001017781939 768365041 /nfs/dbraw/zinc/36/50/41/768365041.db2.gz NYYWMWIVUKUUAN-OKILXGFUSA-N 1 1 327.388 0.357 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cn4nc(C)cc4[nH]c3=O)CCC[C@H]12 ZINC000992324448 766279860 /nfs/dbraw/zinc/27/98/60/766279860.db2.gz ZDEFPYJRQJKGIB-KBXCAEBGSA-N 1 1 339.399 0.691 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)N1CCOCC1 ZINC001016432456 766290598 /nfs/dbraw/zinc/29/05/98/766290598.db2.gz KGNWRTVVTUHYOE-MAUKXSAKSA-N 1 1 342.443 0.969 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)N(C)C1)CCO2 ZINC001053542497 766308810 /nfs/dbraw/zinc/30/88/10/766308810.db2.gz IMCWSEFJZFSNNI-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992345257 766336445 /nfs/dbraw/zinc/33/64/45/766336445.db2.gz PXPRZFDOZXXXLS-OJLVUWQFSA-N 1 1 335.448 0.635 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@H]12 ZINC000992347512 766339228 /nfs/dbraw/zinc/33/92/28/766339228.db2.gz VHERREMNJSXUDQ-ZVRZEWSUSA-N 1 1 346.431 0.664 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@@H]12 ZINC000992351827 766352415 /nfs/dbraw/zinc/35/24/15/766352415.db2.gz NPLTVSGATSNJHF-VQIMIIECSA-N 1 1 342.443 0.997 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001045777057 766356764 /nfs/dbraw/zinc/35/67/64/766356764.db2.gz CFSLCMPBRQOMQI-INIZCTEOSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)O2 ZINC001053599501 766406546 /nfs/dbraw/zinc/40/65/46/766406546.db2.gz VESHROFKAUSBHA-RBSFLKMASA-N 1 1 333.432 0.274 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC001031678939 766439190 /nfs/dbraw/zinc/43/91/90/766439190.db2.gz ZTGXJTUTPQWNET-MAZHCROVSA-N 1 1 335.448 0.683 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001016528565 766442119 /nfs/dbraw/zinc/44/21/19/766442119.db2.gz LVDSGCDMLPUJHI-XGNXJENSSA-N 1 1 329.404 0.557 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC001016529851 766443953 /nfs/dbraw/zinc/44/39/53/766443953.db2.gz YWPPFIQTMVRSHS-FHERZECASA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3nccn3C1)O2 ZINC001053618640 766446919 /nfs/dbraw/zinc/44/69/19/766446919.db2.gz BVKLSJJKVRYVJT-HOTGVXAUSA-N 1 1 342.443 0.818 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 ZINC001053621377 766458233 /nfs/dbraw/zinc/45/82/33/766458233.db2.gz DZXLRMXTECSSBE-CVEARBPZSA-N 1 1 334.464 0.980 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ncnc3[nH]ccc31)O2 ZINC001053624409 766463982 /nfs/dbraw/zinc/46/39/82/766463982.db2.gz QQPWVNLBERMYFW-CYBMUJFWSA-N 1 1 339.399 0.896 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)c[nH]1 ZINC001045930855 766501166 /nfs/dbraw/zinc/50/11/66/766501166.db2.gz XGFHLFGISNXAJR-QGZVFWFLSA-N 1 1 329.404 0.690 20 30 ECEDMO C#CCCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649517 766510910 /nfs/dbraw/zinc/51/09/10/766510910.db2.gz OBEBNCHXRLNDFV-SJORKVTESA-N 1 1 349.475 0.469 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001045948622 766519762 /nfs/dbraw/zinc/51/97/62/766519762.db2.gz MTOHDVZOFZZNJA-GOSISDBHSA-N 1 1 345.447 0.310 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CCC3(CN(CC#N)C3)O1)C2 ZINC001053658058 766527320 /nfs/dbraw/zinc/52/73/20/766527320.db2.gz PTMCMDYKWWPVQA-GOEBONIOSA-N 1 1 343.431 0.627 20 30 ECEDMO C=CCOCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212254407 766533074 /nfs/dbraw/zinc/53/30/74/766533074.db2.gz VZVWSBHVBJCEFB-BRWVUGGUSA-N 1 1 339.480 0.877 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(N)=O)co1)O2 ZINC001053662335 766534687 /nfs/dbraw/zinc/53/46/87/766534687.db2.gz JKGLRTLQPVKTLF-ZDUSSCGKSA-N 1 1 331.372 0.365 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(N)=O)co1)O2 ZINC001053662334 766534701 /nfs/dbraw/zinc/53/47/01/766534701.db2.gz JKGLRTLQPVKTLF-CYBMUJFWSA-N 1 1 331.372 0.365 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001045966798 766537228 /nfs/dbraw/zinc/53/72/28/766537228.db2.gz GFHQXVTUBDNBGQ-FCEWJHQRSA-N 1 1 347.459 0.747 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)Cn3nc4n(c3=O)CCCC4)CCC[C@H]12 ZINC000992428811 766549915 /nfs/dbraw/zinc/54/99/15/766549915.db2.gz NEQORZNYZRATJY-KBXCAEBGSA-N 1 1 345.447 0.680 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC001045983901 766554893 /nfs/dbraw/zinc/55/48/93/766554893.db2.gz SPFKYFMHIPMOKF-SFHVURJKSA-N 1 1 348.447 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(=O)n(C)n1)C2 ZINC001045983748 766555050 /nfs/dbraw/zinc/55/50/50/766555050.db2.gz QTOBLFWQOYXEOJ-GOSISDBHSA-N 1 1 328.416 0.732 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001045984913 766557494 /nfs/dbraw/zinc/55/74/94/766557494.db2.gz KCIYOQNWLYGGHN-ZBFHGGJFSA-N 1 1 339.461 0.016 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@]3(CCN(CC#N)C3)C2)C1 ZINC001045985722 766557546 /nfs/dbraw/zinc/55/75/46/766557546.db2.gz ATCLMOFEPCYSFI-FUHWJXTLSA-N 1 1 334.464 0.935 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCC[C@]3(CCN(CC#N)C3)C2)C1 ZINC001045985722 766557549 /nfs/dbraw/zinc/55/75/49/766557549.db2.gz ATCLMOFEPCYSFI-FUHWJXTLSA-N 1 1 334.464 0.935 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212255628 766559480 /nfs/dbraw/zinc/55/94/80/766559480.db2.gz OBDLSJLTZDJVED-BMGDILEWSA-N 1 1 341.411 0.912 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212255628 766559485 /nfs/dbraw/zinc/55/94/85/766559485.db2.gz OBDLSJLTZDJVED-BMGDILEWSA-N 1 1 341.411 0.912 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc4n(c3=O)CCCC4)CCC[C@H]12 ZINC000992435593 766563344 /nfs/dbraw/zinc/56/33/44/766563344.db2.gz VWQFTEKGLYEPRM-KSSFIOAISA-N 1 1 343.431 0.128 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(C)c1OC)O2 ZINC001053690422 766596345 /nfs/dbraw/zinc/59/63/45/766596345.db2.gz LHBRHOMADAAXPM-CYBMUJFWSA-N 1 1 332.404 0.415 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC3(C[NH+](CCCO)C3)O2)nc1 ZINC001053691434 766599258 /nfs/dbraw/zinc/59/92/58/766599258.db2.gz XOONWKAGQRWOBK-HNNXBMFYSA-N 1 1 329.400 0.409 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)cc1)O2 ZINC001053696286 766608638 /nfs/dbraw/zinc/60/86/38/766608638.db2.gz FQJCHTNZDFPRHJ-MRXNPFEDSA-N 1 1 341.411 0.772 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C(=O)NC)n3)CCC[C@@H]12 ZINC000992453627 766612723 /nfs/dbraw/zinc/61/27/23/766612723.db2.gz HLMMMWRMSLPIJO-CRAIPNDOSA-N 1 1 326.400 0.801 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C(=O)NC)n3)CCC[C@@H]12 ZINC000992453634 766612790 /nfs/dbraw/zinc/61/27/90/766612790.db2.gz HLMMMWRMSLPIJO-QAPCUYQASA-N 1 1 326.400 0.801 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)n3cccn3)CC2)C1 ZINC001046006823 766616653 /nfs/dbraw/zinc/61/66/53/766616653.db2.gz VJKTXVMEXRJYAI-IAGOWNOFSA-N 1 1 329.448 0.686 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(C(N)=O)n1)O2 ZINC001053702441 766624457 /nfs/dbraw/zinc/62/44/57/766624457.db2.gz WIPLWSJVDWZBRG-ZDUSSCGKSA-N 1 1 342.399 0.167 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@H]12 ZINC000992461602 766628635 /nfs/dbraw/zinc/62/86/35/766628635.db2.gz YECSZBSQTFPITH-MAUKXSAKSA-N 1 1 347.463 0.970 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001046012115 766638511 /nfs/dbraw/zinc/63/85/11/766638511.db2.gz LPJUSMYJZCSJPS-WBVHZDCISA-N 1 1 334.464 0.791 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccn(C)n3)C2)CC1 ZINC001046013287 766642785 /nfs/dbraw/zinc/64/27/85/766642785.db2.gz WBUAZDJGVOXSBM-ZBFHGGJFSA-N 1 1 330.436 0.298 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)CC1 ZINC001046013287 766642788 /nfs/dbraw/zinc/64/27/88/766642788.db2.gz WBUAZDJGVOXSBM-ZBFHGGJFSA-N 1 1 330.436 0.298 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 ZINC001046022635 766669640 /nfs/dbraw/zinc/66/96/40/766669640.db2.gz VAJVRGCHIDWPEX-HZPDHXFCSA-N 1 1 330.436 0.081 20 30 ECEDMO CO[C@@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046022574 766669792 /nfs/dbraw/zinc/66/97/92/766669792.db2.gz TWSIWTDRLXVFCG-YOEHRIQHSA-N 1 1 345.447 0.753 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cccnc3)CC2)C1 ZINC001046023188 766672827 /nfs/dbraw/zinc/67/28/27/766672827.db2.gz GSDOAFDUKKVQKF-GOSISDBHSA-N 1 1 326.444 0.866 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC001046024702 766676462 /nfs/dbraw/zinc/67/64/62/766676462.db2.gz PZRZHGGDOMSDGD-KRWDZBQOSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc(C)o3)CC2)C1 ZINC001046025695 766679958 /nfs/dbraw/zinc/67/99/58/766679958.db2.gz JQAUBHLONSZPNB-OAHLLOKOSA-N 1 1 331.420 0.162 20 30 ECEDMO O=C(C#CC1CC1)N1CCN([C@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001046026930 766684160 /nfs/dbraw/zinc/68/41/60/766684160.db2.gz HHLZSVZVCVMALM-SFHVURJKSA-N 1 1 341.459 0.515 20 30 ECEDMO O=C(C#CC1CC1)N1CCN([C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001046028998 766693096 /nfs/dbraw/zinc/69/30/96/766693096.db2.gz KKRUEBPQJNXOCG-QZTJIDSGSA-N 1 1 331.460 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000994750986 766694896 /nfs/dbraw/zinc/69/48/96/766694896.db2.gz KHOALUJOXOXTSN-AWEZNQCLSA-N 1 1 343.431 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000994750986 766694904 /nfs/dbraw/zinc/69/49/04/766694904.db2.gz KHOALUJOXOXTSN-AWEZNQCLSA-N 1 1 343.431 0.112 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3C3CC3)CC2)C1 ZINC001046032377 766703924 /nfs/dbraw/zinc/70/39/24/766703924.db2.gz CIVMLJRGOPPTPG-MRXNPFEDSA-N 1 1 341.459 0.763 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC001046032561 766706312 /nfs/dbraw/zinc/70/63/12/766706312.db2.gz FSUVXXGFDOCGSV-GOSISDBHSA-N 1 1 343.475 0.513 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC001046034200 766712807 /nfs/dbraw/zinc/71/28/07/766712807.db2.gz RHZWJCIRVQOFPL-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046034427 766714753 /nfs/dbraw/zinc/71/47/53/766714753.db2.gz VNXSMALEQBYVTF-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046034416 766715060 /nfs/dbraw/zinc/71/50/60/766715060.db2.gz VDFIHKLECLEKDU-SJORKVTESA-N 1 1 333.480 0.603 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)C2CCOCC2)C1 ZINC000994755325 766715872 /nfs/dbraw/zinc/71/58/72/766715872.db2.gz RCJHFEACPDCQFE-YOEHRIQHSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)C2CCOCC2)C1 ZINC000994755325 766715879 /nfs/dbraw/zinc/71/58/79/766715879.db2.gz RCJHFEACPDCQFE-YOEHRIQHSA-N 1 1 347.459 0.474 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnc(C)o3)CC2)C1 ZINC001046035001 766718332 /nfs/dbraw/zinc/71/83/32/766718332.db2.gz ASDQPLRFMHZLOX-MRXNPFEDSA-N 1 1 330.432 0.767 20 30 ECEDMO CCN(c1ccc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089627032 766718808 /nfs/dbraw/zinc/71/88/08/766718808.db2.gz JPPIWIBJNOWWPD-UKRRQHHQSA-N 1 1 331.420 0.615 20 30 ECEDMO CCN(c1ccc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089627032 766718814 /nfs/dbraw/zinc/71/88/14/766718814.db2.gz JPPIWIBJNOWWPD-UKRRQHHQSA-N 1 1 331.420 0.615 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncc(C)cc3OC)CC2)C1 ZINC001046036432 766727105 /nfs/dbraw/zinc/72/71/05/766727105.db2.gz JUWOZGLRIMFNIS-INIZCTEOSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nc(CC)c[nH]3)CC2)C1 ZINC001046036942 766730069 /nfs/dbraw/zinc/73/00/69/766730069.db2.gz PZTAFERYJHXNIW-KRWDZBQOSA-N 1 1 343.475 0.756 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC001046037059 766731492 /nfs/dbraw/zinc/73/14/92/766731492.db2.gz KMHZZIBMNRVZAT-OAHLLOKOSA-N 1 1 329.404 0.038 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C(C2CC2)C2CC2)C1 ZINC000994756901 766731820 /nfs/dbraw/zinc/73/18/20/766731820.db2.gz ZBPNIZFWELLWHV-INIZCTEOSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C(C2CC2)C2CC2)C1 ZINC000994756901 766731828 /nfs/dbraw/zinc/73/18/28/766731828.db2.gz ZBPNIZFWELLWHV-INIZCTEOSA-N 1 1 329.444 0.847 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)c(C)cc3=O)CC2)C1 ZINC001046037255 766732140 /nfs/dbraw/zinc/73/21/40/766732140.db2.gz NVPVTMSKMFTQSK-MRXNPFEDSA-N 1 1 344.459 0.712 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc4n3CCC4)CC2)C1 ZINC001046037184 766732218 /nfs/dbraw/zinc/73/22/18/766732218.db2.gz VCHGOFKZSFPOKC-HNNXBMFYSA-N 1 1 329.448 0.847 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn4c(n3)COCC4)CC2)C1 ZINC001046038924 766740404 /nfs/dbraw/zinc/74/04/04/766740404.db2.gz PYEJGHZGMDFNNR-HNNXBMFYSA-N 1 1 345.447 0.431 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc(C4CC4)cn3)CC2)C1 ZINC001046039917 766744959 /nfs/dbraw/zinc/74/49/59/766744959.db2.gz AOPKYJJYENVKHV-SFHVURJKSA-N 1 1 341.459 0.612 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)C1 ZINC001046040170 766745541 /nfs/dbraw/zinc/74/55/41/766745541.db2.gz FWPREMLMEBDELK-FUHWJXTLSA-N 1 1 341.459 0.297 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@H](OC)C1 ZINC001212264523 766746912 /nfs/dbraw/zinc/74/69/12/766746912.db2.gz KWPHDMLWAWZZLU-HUUCEWRRSA-N 1 1 338.452 0.573 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046040674 766747929 /nfs/dbraw/zinc/74/79/29/766747929.db2.gz HFOUEZJUCLCRIO-ZWKOTPCHSA-N 1 1 347.507 0.849 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3CC)CC2)C1 ZINC001046040500 766748093 /nfs/dbraw/zinc/74/80/93/766748093.db2.gz CWILWXFEPAEZLR-INIZCTEOSA-N 1 1 343.475 0.838 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046040479 766748349 /nfs/dbraw/zinc/74/83/49/766748349.db2.gz JSIJLVBGWNINQA-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4nccn4C3)CC2)C1 ZINC001046040759 766749176 /nfs/dbraw/zinc/74/91/76/766749176.db2.gz KPMXJSHOSUGCLL-IRXDYDNUSA-N 1 1 343.475 0.850 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3CC)CC2)C1 ZINC001046042973 766759362 /nfs/dbraw/zinc/75/93/62/766759362.db2.gz QHWQVVHSKANJMX-HNNXBMFYSA-N 1 1 329.448 0.448 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(Cl)n3C)CC2)C1 ZINC001046043273 766761286 /nfs/dbraw/zinc/76/12/86/766761286.db2.gz ADJVGIIGXLUAJC-CYBMUJFWSA-N 1 1 335.839 0.539 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc4n[nH]nc43)CC2)C1 ZINC001046044236 766766563 /nfs/dbraw/zinc/76/65/63/766766563.db2.gz KYRZGFRMJOWFBH-CYBMUJFWSA-N 1 1 341.419 0.371 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)C1 ZINC001046044614 766767842 /nfs/dbraw/zinc/76/78/42/766767842.db2.gz MSYUZTWCEYXAGA-HNNXBMFYSA-N 1 1 345.447 0.684 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OCC)no3)CC2)C1 ZINC001046044750 766768802 /nfs/dbraw/zinc/76/88/02/766768802.db2.gz QNMNBECJHMNSAE-AWEZNQCLSA-N 1 1 332.404 0.539 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cc(CC)nn3C)CC2)C1 ZINC001046045447 766770263 /nfs/dbraw/zinc/77/02/63/766770263.db2.gz IQANGBQMOULIMB-KRWDZBQOSA-N 1 1 345.491 0.930 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3nccn3C)CC2)C1 ZINC001046047057 766776329 /nfs/dbraw/zinc/77/63/29/766776329.db2.gz IBRKUQXMUYJMCH-MRXNPFEDSA-N 1 1 329.448 0.204 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3coc(OC)n3)CC2)C1 ZINC001046048166 766780733 /nfs/dbraw/zinc/78/07/33/766780733.db2.gz RMRGGFNDOCKMFB-CQSZACIVSA-N 1 1 332.404 0.539 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)ccn3)CC2)C1 ZINC001046050272 766786330 /nfs/dbraw/zinc/78/63/30/766786330.db2.gz JAHIMXOHRTWAEC-HNNXBMFYSA-N 1 1 328.416 0.556 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC001046050863 766789334 /nfs/dbraw/zinc/78/93/34/766789334.db2.gz RUJHZCBVCCQKDM-CQSZACIVSA-N 1 1 333.436 0.447 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC001046054884 766801831 /nfs/dbraw/zinc/80/18/31/766801831.db2.gz RCMIECRQMDHOHC-AWEZNQCLSA-N 1 1 331.420 0.178 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046055063 766804960 /nfs/dbraw/zinc/80/49/60/766804960.db2.gz FEOGJAWQQGLQFF-QFBILLFUSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2[nH]cnc2C)C1 ZINC001016727099 766806389 /nfs/dbraw/zinc/80/63/89/766806389.db2.gz CNSPKACRGDLMNL-NRXISQOPSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2[nH]cnc2C)C1 ZINC001016727099 766806400 /nfs/dbraw/zinc/80/64/00/766806400.db2.gz CNSPKACRGDLMNL-NRXISQOPSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4cccnc43)CC2)C1 ZINC001046055360 766806826 /nfs/dbraw/zinc/80/68/26/766806826.db2.gz WTNMIKNSKIOQLK-QZTJIDSGSA-N 1 1 338.455 0.963 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC001046057304 766813649 /nfs/dbraw/zinc/81/36/49/766813649.db2.gz YGZQSJZQDMLPOL-OAHLLOKOSA-N 1 1 345.447 0.899 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@@H]3CC[N@H+]([C@H]4CCNC4=O)C3)CC2)C1 ZINC001046060116 766825074 /nfs/dbraw/zinc/82/50/74/766825074.db2.gz VNLGCVTXGBAUCK-CVEARBPZSA-N 1 1 346.475 0.450 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 ZINC001046061345 766829387 /nfs/dbraw/zinc/82/93/87/766829387.db2.gz MISMXWSXROCXDO-MAUKXSAKSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC001046066641 766855662 /nfs/dbraw/zinc/85/56/62/766855662.db2.gz OLGXMMZFPQDMLS-HNNXBMFYSA-N 1 1 335.839 0.388 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CCC(C)CC3)CC2)C1 ZINC001046068870 766864271 /nfs/dbraw/zinc/86/42/71/766864271.db2.gz WBSPOUADBBUUJZ-QGZVFWFLSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046069088 766866774 /nfs/dbraw/zinc/86/67/74/766866774.db2.gz ATTJFXSPTFBRDK-IKGGRYGDSA-N 1 1 337.464 0.178 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046069668 766869069 /nfs/dbraw/zinc/86/90/69/766869069.db2.gz JRAPZQLCWWLIOM-SJLPKXTDSA-N 1 1 343.475 0.830 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046069668 766869080 /nfs/dbraw/zinc/86/90/80/766869080.db2.gz JRAPZQLCWWLIOM-SJLPKXTDSA-N 1 1 343.475 0.830 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046069668 766869091 /nfs/dbraw/zinc/86/90/91/766869091.db2.gz JRAPZQLCWWLIOM-SJLPKXTDSA-N 1 1 343.475 0.830 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001030964054 766871335 /nfs/dbraw/zinc/87/13/35/766871335.db2.gz GFUMBRXMXYZROD-OAHLLOKOSA-N 1 1 334.464 0.306 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)nc(C)n3)CC2)C1 ZINC001046070281 766871371 /nfs/dbraw/zinc/87/13/71/766871371.db2.gz QYAVMEAFRMCNID-QGZVFWFLSA-N 1 1 341.459 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(C)nc3C)CC2)C1 ZINC001046072465 766880877 /nfs/dbraw/zinc/88/08/77/766880877.db2.gz FTLKBUYQUIKPCE-KRWDZBQOSA-N 1 1 341.459 0.949 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3coc(COC)n3)CC2)C1 ZINC001046075067 766893012 /nfs/dbraw/zinc/89/30/12/766893012.db2.gz NYRKINAFOGPBRS-OAHLLOKOSA-N 1 1 346.431 0.676 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC001046076598 766904257 /nfs/dbraw/zinc/90/42/57/766904257.db2.gz HJVBLZSDBYLMRP-HNNXBMFYSA-N 1 1 331.420 0.503 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCCN(C)C3=O)CC2)C1 ZINC001046077711 766909192 /nfs/dbraw/zinc/90/91/92/766909192.db2.gz XRIRLMHFORHIIK-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC001046078127 766910457 /nfs/dbraw/zinc/91/04/57/766910457.db2.gz IWCBLRIDCXFKHA-INIZCTEOSA-N 1 1 344.459 0.794 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC001046082598 766921942 /nfs/dbraw/zinc/92/19/42/766921942.db2.gz XZCANVLXIBPCSD-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC001046086626 766928603 /nfs/dbraw/zinc/92/86/03/766928603.db2.gz XZTHVMQYGSZBOF-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn(C)c3)CC2)C1 ZINC001046086944 766929835 /nfs/dbraw/zinc/92/98/35/766929835.db2.gz SHURXTATLFMLCE-GOSISDBHSA-N 1 1 343.475 0.595 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccnc3C(N)=O)CC2)C1 ZINC001046087198 766930237 /nfs/dbraw/zinc/93/02/37/766930237.db2.gz VAQVNAYELJIOKO-CQSZACIVSA-N 1 1 343.431 0.199 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(OCC)cn3)CC2)C1 ZINC001046089805 766932133 /nfs/dbraw/zinc/93/21/33/766932133.db2.gz JCZMETYLJMLMFH-HNNXBMFYSA-N 1 1 345.447 0.893 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CCC1 ZINC001046119500 766948003 /nfs/dbraw/zinc/94/80/03/766948003.db2.gz AVCJGZQLIFDYQK-HUUCEWRRSA-N 1 1 349.475 0.620 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)nc1 ZINC001016809181 766964752 /nfs/dbraw/zinc/96/47/52/766964752.db2.gz TXCXDABJTBUOBG-VMBOVVBDSA-N 1 1 340.427 0.876 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3ncccc13)CO2 ZINC001053831268 766966139 /nfs/dbraw/zinc/96/61/39/766966139.db2.gz YJUALBWUAZSCTQ-ZDUSSCGKSA-N 1 1 327.388 0.879 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2cnc(C)cn2)C1 ZINC001031740817 766986356 /nfs/dbraw/zinc/98/63/56/766986356.db2.gz KPFCTNZCACHVRQ-QAPCUYQASA-N 1 1 341.459 0.992 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2cnc(C)cn2)C1 ZINC001031740817 766986362 /nfs/dbraw/zinc/98/63/62/766986362.db2.gz KPFCTNZCACHVRQ-QAPCUYQASA-N 1 1 341.459 0.992 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(CC(=O)N2CCCCC2)C1 ZINC001031740371 766990435 /nfs/dbraw/zinc/99/04/35/766990435.db2.gz ALYBZSYKQKBYJZ-KRWDZBQOSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CC(=O)N2CCCCC2)C1 ZINC001031740371 766990442 /nfs/dbraw/zinc/99/04/42/766990442.db2.gz ALYBZSYKQKBYJZ-KRWDZBQOSA-N 1 1 346.475 0.145 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001031742742 767004497 /nfs/dbraw/zinc/00/44/97/767004497.db2.gz OSARFJOMKIWUQW-ZFWWWQNUSA-N 1 1 344.463 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001031742742 767004507 /nfs/dbraw/zinc/00/45/07/767004507.db2.gz OSARFJOMKIWUQW-ZFWWWQNUSA-N 1 1 344.463 0.574 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2csnc2OC)C1 ZINC001031742823 767006287 /nfs/dbraw/zinc/00/62/87/767006287.db2.gz STJAEGCWQNYZGJ-HNNXBMFYSA-N 1 1 348.472 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2csnc2OC)C1 ZINC001031742823 767006297 /nfs/dbraw/zinc/00/62/97/767006297.db2.gz STJAEGCWQNYZGJ-HNNXBMFYSA-N 1 1 348.472 0.797 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)CO2 ZINC001053849955 767016393 /nfs/dbraw/zinc/01/63/93/767016393.db2.gz YURMTIIZVFTVPE-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCNC3=O)C2)c1 ZINC001031744990 767019394 /nfs/dbraw/zinc/01/93/94/767019394.db2.gz ZVRZWQOTAIQJJP-MRXNPFEDSA-N 1 1 326.400 0.632 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccnn3C)C2)C1=O ZINC001046190006 767038602 /nfs/dbraw/zinc/03/86/02/767038602.db2.gz PXJWJGYUKIGLAA-RHSMWYFYSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccnn3C)C2)C1=O ZINC001046190006 767038610 /nfs/dbraw/zinc/03/86/10/767038610.db2.gz PXJWJGYUKIGLAA-RHSMWYFYSA-N 1 1 331.420 0.401 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCCC(=O)N1)CO2 ZINC001053865922 767072003 /nfs/dbraw/zinc/07/20/03/767072003.db2.gz NDOLPQWASBZRKD-HUUCEWRRSA-N 1 1 335.448 0.971 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 ZINC001078280971 782608662 /nfs/dbraw/zinc/60/86/62/782608662.db2.gz FYOZPONCSRRHIM-VXGBXAGGSA-N 1 1 336.392 0.235 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc(C)on2)C1 ZINC000938755827 767106614 /nfs/dbraw/zinc/10/66/14/767106614.db2.gz AAFIQIXTZFHPDO-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc(C)on2)C1 ZINC000938755827 767106616 /nfs/dbraw/zinc/10/66/16/767106616.db2.gz AAFIQIXTZFHPDO-HOCLYGCPSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2ccoc2)C1 ZINC000938756471 767107140 /nfs/dbraw/zinc/10/71/40/767107140.db2.gz PSHVHZCOWWCSIH-IRXDYDNUSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2ccoc2)C1 ZINC000938756471 767107142 /nfs/dbraw/zinc/10/71/42/767107142.db2.gz PSHVHZCOWWCSIH-IRXDYDNUSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C2=COCCO2)C1 ZINC000938756548 767107295 /nfs/dbraw/zinc/10/72/95/767107295.db2.gz RKFZXHFCWVGAQN-GJZGRUSLSA-N 1 1 347.415 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C2=COCCO2)C1 ZINC000938756548 767107299 /nfs/dbraw/zinc/10/72/99/767107299.db2.gz RKFZXHFCWVGAQN-GJZGRUSLSA-N 1 1 347.415 0.032 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001089731153 767133907 /nfs/dbraw/zinc/13/39/07/767133907.db2.gz CMLZTPPGPMSRNR-CVEARBPZSA-N 1 1 335.448 0.474 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001089730412 767133990 /nfs/dbraw/zinc/13/39/90/767133990.db2.gz ZWWKRLVQUHBJNF-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1coc(C(N)=O)c1)CO2 ZINC001053880134 767135032 /nfs/dbraw/zinc/13/50/32/767135032.db2.gz JMKXYWONDLHQDB-ZDUSSCGKSA-N 1 1 333.388 0.918 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001089732345 767135247 /nfs/dbraw/zinc/13/52/47/767135247.db2.gz SRQJXYFMNXWXGC-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001089736010 767137403 /nfs/dbraw/zinc/13/74/03/767137403.db2.gz SNEDSGXWKSWJQT-KGLIPLIRSA-N 1 1 343.493 0.861 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001046392473 767191588 /nfs/dbraw/zinc/19/15/88/767191588.db2.gz FNGYSDGBBQNFMF-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001046392473 767191590 /nfs/dbraw/zinc/19/15/90/767191590.db2.gz FNGYSDGBBQNFMF-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001046392925 767191916 /nfs/dbraw/zinc/19/19/16/767191916.db2.gz NWMVEUQYFNURGM-VNHYZAJKSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001046392925 767191920 /nfs/dbraw/zinc/19/19/20/767191920.db2.gz NWMVEUQYFNURGM-VNHYZAJKSA-N 1 1 344.419 0.376 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001046430247 767216164 /nfs/dbraw/zinc/21/61/64/767216164.db2.gz ZDZFMTHHVGRGND-QGZVFWFLSA-N 1 1 327.388 0.955 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CS(=O)(=O)C2)C1 ZINC001089806916 767234249 /nfs/dbraw/zinc/23/42/49/767234249.db2.gz VWSRWUIGYZCNIO-TUUVXOQKSA-N 1 1 338.473 0.776 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212340448 767266042 /nfs/dbraw/zinc/26/60/42/767266042.db2.gz KSNCFKBJGFYSHL-HUUCEWRRSA-N 1 1 337.464 0.930 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212340448 767266044 /nfs/dbraw/zinc/26/60/44/767266044.db2.gz KSNCFKBJGFYSHL-HUUCEWRRSA-N 1 1 337.464 0.930 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccnnc3C)C2)C1=O ZINC001031816984 767272597 /nfs/dbraw/zinc/27/25/97/767272597.db2.gz MLTNHLPPFMUGCA-OAHLLOKOSA-N 1 1 329.404 0.234 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046525080 767278809 /nfs/dbraw/zinc/27/88/09/767278809.db2.gz GDTCORUXOGPVGJ-UHFFFAOYSA-N 1 1 337.464 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001046531503 767282580 /nfs/dbraw/zinc/28/25/80/767282580.db2.gz PWHAEINBACMMKQ-DNVCBOLYSA-N 1 1 339.395 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001046531503 767282583 /nfs/dbraw/zinc/28/25/83/767282583.db2.gz PWHAEINBACMMKQ-DNVCBOLYSA-N 1 1 339.395 0.667 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001046531336 767282678 /nfs/dbraw/zinc/28/26/78/767282678.db2.gz NEPCRFXVOIKYLO-WMLDXEAASA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001046531336 767282680 /nfs/dbraw/zinc/28/26/80/767282680.db2.gz NEPCRFXVOIKYLO-WMLDXEAASA-N 1 1 331.420 0.699 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001046540973 767292086 /nfs/dbraw/zinc/29/20/86/767292086.db2.gz BROPVVPNDLXUJA-QAPCUYQASA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001046540973 767292087 /nfs/dbraw/zinc/29/20/87/767292087.db2.gz BROPVVPNDLXUJA-QAPCUYQASA-N 1 1 341.415 0.662 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)n1 ZINC000992684237 767303202 /nfs/dbraw/zinc/30/32/02/767303202.db2.gz ZKRQZGZGZLRIQY-RRFJBIMHSA-N 1 1 328.420 0.340 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046575248 767318882 /nfs/dbraw/zinc/31/88/82/767318882.db2.gz BZHGKUIENQEGLO-IGQOVBAYSA-N 1 1 328.420 0.275 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCN(C)C(=O)C1 ZINC001089825340 767347815 /nfs/dbraw/zinc/34/78/15/767347815.db2.gz BJYLUZPNOAUACV-YVSFHVDLSA-N 1 1 346.475 0.115 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001046605030 767356080 /nfs/dbraw/zinc/35/60/80/767356080.db2.gz PAAJPXLLVHOCHW-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCN(CC)C3=O)C2)c1 ZINC001046605030 767356087 /nfs/dbraw/zinc/35/60/87/767356087.db2.gz PAAJPXLLVHOCHW-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 ZINC001106146806 767367728 /nfs/dbraw/zinc/36/77/28/767367728.db2.gz GRHYKVPVFWEOQS-CABCVRRESA-N 1 1 346.435 0.420 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106147553 767372480 /nfs/dbraw/zinc/37/24/80/767372480.db2.gz QUAQVYSMPNAZTM-HIFRSBDPSA-N 1 1 349.410 0.856 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001046618775 767374179 /nfs/dbraw/zinc/37/41/79/767374179.db2.gz JRWBPFRQFJUZCJ-FRQCXROJSA-N 1 1 347.459 0.760 20 30 ECEDMO Cc1nsc(NC[C@@H](O)CNC(=O)C[N@H+](C)C2CCC2)c1C#N ZINC001106154900 767391195 /nfs/dbraw/zinc/39/11/95/767391195.db2.gz QNXVEMASIXXOTA-LBPRGKRZSA-N 1 1 337.449 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106155440 767393875 /nfs/dbraw/zinc/39/38/75/767393875.db2.gz YSTDFQWMVPUPIX-ZFWWWQNUSA-N 1 1 345.378 0.079 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106155440 767393884 /nfs/dbraw/zinc/39/38/84/767393884.db2.gz YSTDFQWMVPUPIX-ZFWWWQNUSA-N 1 1 345.378 0.079 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCCC2=CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001089832402 767395467 /nfs/dbraw/zinc/39/54/67/767395467.db2.gz SNRPCWPTWGHTNQ-OAHLLOKOSA-N 1 1 340.431 0.943 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCCC2=CCN(c3cncc(C#N)n3)CC2)C1 ZINC001089832449 767396179 /nfs/dbraw/zinc/39/61/79/767396179.db2.gz WBOHYSVBAJYNDL-OAHLLOKOSA-N 1 1 340.431 0.943 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001078288916 782620877 /nfs/dbraw/zinc/62/08/77/782620877.db2.gz VSOSXMCNBMTMHK-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001078288916 782620883 /nfs/dbraw/zinc/62/08/83/782620883.db2.gz VSOSXMCNBMTMHK-XJKSGUPXSA-N 1 1 344.415 0.018 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3nccnc3C#N)C2)CC[N@H+]1C ZINC001046633136 767404168 /nfs/dbraw/zinc/40/41/68/767404168.db2.gz MPKXLZLOLABQMY-YIYPIFLZSA-N 1 1 328.420 0.995 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106157229 767416944 /nfs/dbraw/zinc/41/69/44/767416944.db2.gz BKZUJQRUYZZBBE-HOTGVXAUSA-N 1 1 331.420 0.717 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)nn(C)c1OC)CO2 ZINC001053945156 767421071 /nfs/dbraw/zinc/42/10/71/767421071.db2.gz OHKAHQSUUDDBEN-ZDUSSCGKSA-N 1 1 334.420 0.886 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(OC)n(C)n1 ZINC001089837094 767433624 /nfs/dbraw/zinc/43/36/24/767433624.db2.gz YJJHNMPMQWZWOA-AYDFFVQHSA-N 1 1 328.416 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)cc(C)n2)C1 ZINC000995017596 767441896 /nfs/dbraw/zinc/44/18/96/767441896.db2.gz SYMFZDWCKHQQRL-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)cc(C)n2)C1 ZINC000995017596 767441899 /nfs/dbraw/zinc/44/18/99/767441899.db2.gz SYMFZDWCKHQQRL-KRWDZBQOSA-N 1 1 340.427 0.737 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001046671965 767452951 /nfs/dbraw/zinc/45/29/51/767452951.db2.gz OBWVOOQVHBBKGS-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001046676141 767458446 /nfs/dbraw/zinc/45/84/46/767458446.db2.gz CKQRKMNHAOLSKU-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001046679848 767467788 /nfs/dbraw/zinc/46/77/88/767467788.db2.gz QWNPVSPTQVSVIF-LPHOPBHVSA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001046679848 767467794 /nfs/dbraw/zinc/46/77/94/767467794.db2.gz QWNPVSPTQVSVIF-LPHOPBHVSA-N 1 1 341.411 0.781 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106169716 767479059 /nfs/dbraw/zinc/47/90/59/767479059.db2.gz KLIFBMDHENNEMZ-CVEARBPZSA-N 1 1 345.447 0.963 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106169718 767479110 /nfs/dbraw/zinc/47/91/10/767479110.db2.gz KLIFBMDHENNEMZ-HZPDHXFCSA-N 1 1 345.447 0.963 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046692258 767492631 /nfs/dbraw/zinc/49/26/31/767492631.db2.gz SJLNJDXGIZXTHR-HUUCEWRRSA-N 1 1 335.448 0.067 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cccnn3)C2)C1=O ZINC001046721456 767541591 /nfs/dbraw/zinc/54/15/91/767541591.db2.gz JBZUTSNGYNYSBR-RHSMWYFYSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cccnn3)C2)C1=O ZINC001046721456 767541594 /nfs/dbraw/zinc/54/15/94/767541594.db2.gz JBZUTSNGYNYSBR-RHSMWYFYSA-N 1 1 329.404 0.458 20 30 ECEDMO Cn1ncc(C[N@H+](C)C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001017087978 767568966 /nfs/dbraw/zinc/56/89/66/767568966.db2.gz OKAXHFPCSPPZHD-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001017087978 767568972 /nfs/dbraw/zinc/56/89/72/767568972.db2.gz OKAXHFPCSPPZHD-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCN(C(N)=O)CC1)CO2 ZINC001054004425 767570621 /nfs/dbraw/zinc/57/06/21/767570621.db2.gz NEPCGXHXJISMJB-AWEZNQCLSA-N 1 1 336.436 0.313 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001054034860 767634023 /nfs/dbraw/zinc/63/40/23/767634023.db2.gz BALIHBIXPOQOOK-DLBZAZTESA-N 1 1 325.412 0.831 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001054049060 767647645 /nfs/dbraw/zinc/64/76/45/767647645.db2.gz PLFGTUGLHXCKFV-IAGOWNOFSA-N 1 1 325.412 0.689 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001054049060 767647649 /nfs/dbraw/zinc/64/76/49/767647649.db2.gz PLFGTUGLHXCKFV-IAGOWNOFSA-N 1 1 325.412 0.689 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001054057612 767655390 /nfs/dbraw/zinc/65/53/90/767655390.db2.gz BALIHBIXPOQOOK-SJORKVTESA-N 1 1 325.412 0.831 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001060476492 767688742 /nfs/dbraw/zinc/68/87/42/767688742.db2.gz UKDFHHBXLRXFQP-IPNGBCKKSA-N 1 1 326.404 0.097 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001054102636 767691181 /nfs/dbraw/zinc/69/11/81/767691181.db2.gz PXCKXLXWBSPSDE-RHSMWYFYSA-N 1 1 333.436 0.486 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001054115907 767703015 /nfs/dbraw/zinc/70/30/15/767703015.db2.gz IFHDGQUPSBBRGT-SCLBCKFNSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCOCC1=O)C2 ZINC001054146891 767743031 /nfs/dbraw/zinc/74/30/31/767743031.db2.gz UDZVRUNESZNUBR-GOSISDBHSA-N 1 1 333.432 0.183 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC001054169980 767766899 /nfs/dbraw/zinc/76/68/99/767766899.db2.gz BYGNLQMDZCPOBE-BMFAXAFESA-N 1 1 332.444 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c(C)c(C)nn(C)c1=O)C2 ZINC001054174705 767774084 /nfs/dbraw/zinc/77/40/84/767774084.db2.gz YLKVLTMVVUENDN-LJQANCHMSA-N 1 1 342.443 0.958 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1nnnc1C(C)C)C2 ZINC001054210581 767806337 /nfs/dbraw/zinc/80/63/37/767806337.db2.gz SBCVNJIKAPTAFK-QGZVFWFLSA-N 1 1 330.436 0.744 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCN(C)S1(=O)=O)C2 ZINC001054211381 767808030 /nfs/dbraw/zinc/80/80/30/767808030.db2.gz OJAXBHZYEMARIV-GDBMZVCRSA-N 1 1 341.477 0.521 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001054234805 767843551 /nfs/dbraw/zinc/84/35/51/767843551.db2.gz KMPKHRNIOYQNHE-SFHVURJKSA-N 1 1 347.463 0.781 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127346635 768372358 /nfs/dbraw/zinc/37/23/58/768372358.db2.gz FIZDPSNQARXEHV-UHFFFAOYSA-N 1 1 348.451 0.967 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CCn1cncn1 ZINC000993195374 768418021 /nfs/dbraw/zinc/41/80/21/768418021.db2.gz HMYLMFIMVFHOHT-DOMZBBRYSA-N 1 1 327.392 0.761 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001042044651 782664171 /nfs/dbraw/zinc/66/41/71/782664171.db2.gz RMYOIZKNNQYCHO-HOTGVXAUSA-N 1 1 343.427 0.472 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127369438 768567061 /nfs/dbraw/zinc/56/70/61/768567061.db2.gz SPBQTETVVMNDGR-UHFFFAOYSA-N 1 1 334.424 0.577 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001055250018 768707908 /nfs/dbraw/zinc/70/79/08/768707908.db2.gz LHFYCLBWRUZMTO-IYBDPMFKSA-N 1 1 349.475 0.838 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCC(N)=O)C2)nn1 ZINC001098789841 768724176 /nfs/dbraw/zinc/72/41/76/768724176.db2.gz JYSSRNUSXAVIKY-CQSZACIVSA-N 1 1 334.424 0.373 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001055284864 768737972 /nfs/dbraw/zinc/73/79/72/768737972.db2.gz LTBURHXWZDWAFX-OKILXGFUSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001055339248 768796005 /nfs/dbraw/zinc/79/60/05/768796005.db2.gz ANTNRUIAJNDIRF-MWDXBVQZSA-N 1 1 347.459 0.426 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)C1 ZINC001055341667 768799856 /nfs/dbraw/zinc/79/98/56/768799856.db2.gz KQQBXRIVDLYHJP-MYPMTAMASA-N 1 1 326.404 0.526 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)C1 ZINC001055341669 768799970 /nfs/dbraw/zinc/79/99/70/768799970.db2.gz KQQBXRIVDLYHJP-NGFQHRJXSA-N 1 1 326.404 0.526 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055344739 768802353 /nfs/dbraw/zinc/80/23/53/768802353.db2.gz BHMYOCJFQBZJOP-OAGGEKHMSA-N 1 1 335.448 0.448 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000993345297 768819624 /nfs/dbraw/zinc/81/96/24/768819624.db2.gz QRYUAHYMTRAJQE-DAYGRLMNSA-N 1 1 348.447 0.175 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055379521 768836008 /nfs/dbraw/zinc/83/60/08/768836008.db2.gz GBHJMAANVBOMPU-VVLHAWIVSA-N 1 1 349.475 0.836 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055379519 768836832 /nfs/dbraw/zinc/83/68/32/768836832.db2.gz GBHJMAANVBOMPU-TWMKSMIVSA-N 1 1 349.475 0.836 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C(F)F)CC1 ZINC001055487074 768919613 /nfs/dbraw/zinc/91/96/13/768919613.db2.gz VCMQIGKFDAVSCR-OLZOCXBDSA-N 1 1 345.390 0.539 20 30 ECEDMO C#CCN1CC[C@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]21 ZINC001042065427 782706827 /nfs/dbraw/zinc/70/68/27/782706827.db2.gz STUQSBQJNBRJCL-RDJZCZTQSA-N 1 1 329.448 0.614 20 30 ECEDMO CC(C)(F)C(=O)NCC[NH+]1CCC(NC(=O)CSCC#N)CC1 ZINC001055491840 768932292 /nfs/dbraw/zinc/93/22/92/768932292.db2.gz YXUPDJTXKGFPGX-UHFFFAOYSA-N 1 1 344.456 0.688 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC000993388502 768940480 /nfs/dbraw/zinc/94/04/80/768940480.db2.gz CPGLYQCSTPXMTD-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CCOCC(=O)NC1CC[NH+](CCNC(=O)c2ccco2)CC1 ZINC001055501058 768952524 /nfs/dbraw/zinc/95/25/24/768952524.db2.gz PLGCHWNOLXJHSM-UHFFFAOYSA-N 1 1 335.404 0.793 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2nccs2)CC1 ZINC001055574946 769159580 /nfs/dbraw/zinc/15/95/80/769159580.db2.gz FUPJWFZXVOUMLB-UHFFFAOYSA-N 1 1 346.456 0.867 20 30 ECEDMO CC(C)C#CC(=O)NC1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055578609 769175113 /nfs/dbraw/zinc/17/51/13/769175113.db2.gz QSXCBRGBWCVIGA-INIZCTEOSA-N 1 1 348.491 0.294 20 30 ECEDMO CC(C)C#CC(=O)NC1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055578609 769175114 /nfs/dbraw/zinc/17/51/14/769175114.db2.gz QSXCBRGBWCVIGA-INIZCTEOSA-N 1 1 348.491 0.294 20 30 ECEDMO C#CCN1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001018363852 769203015 /nfs/dbraw/zinc/20/30/15/769203015.db2.gz PMDOYBNSFIVKJM-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H]1C ZINC000993489269 769203909 /nfs/dbraw/zinc/20/39/09/769203909.db2.gz JTGZZFKIHGBLAL-DZGCQCFKSA-N 1 1 338.473 0.804 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H]1C ZINC000993489269 769203915 /nfs/dbraw/zinc/20/39/15/769203915.db2.gz JTGZZFKIHGBLAL-DZGCQCFKSA-N 1 1 338.473 0.804 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cnco2)CC1 ZINC001055604223 769239305 /nfs/dbraw/zinc/23/93/05/769239305.db2.gz SXWRZQNASDAGJV-UHFFFAOYSA-N 1 1 332.404 0.644 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cnco2)CC1 ZINC001055604286 769239629 /nfs/dbraw/zinc/23/96/29/769239629.db2.gz WXUGJTKZUHLDJI-ZDUSSCGKSA-N 1 1 348.403 0.023 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2nccs2)CC1 ZINC001055623971 769286332 /nfs/dbraw/zinc/28/63/32/769286332.db2.gz TXINPYDYIYEOIL-LLVKDONJSA-N 1 1 335.433 0.613 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001055632330 769307480 /nfs/dbraw/zinc/30/74/80/769307480.db2.gz SAJNCSQCCAEBBO-HUUCEWRRSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055632330 769307495 /nfs/dbraw/zinc/30/74/95/769307495.db2.gz SAJNCSQCCAEBBO-HUUCEWRRSA-N 1 1 349.479 0.185 20 30 ECEDMO Cc1cnoc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC001055634226 769314561 /nfs/dbraw/zinc/31/45/61/769314561.db2.gz IDZBXJMJMBZJSI-UHFFFAOYSA-N 1 1 346.431 0.953 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C ZINC000993593891 769385044 /nfs/dbraw/zinc/38/50/44/769385044.db2.gz XWUIYKWNZQSEAZ-CABCVRRESA-N 1 1 346.431 0.496 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@@H]1C ZINC000993683149 769475159 /nfs/dbraw/zinc/47/51/59/769475159.db2.gz LJKGWGWXQSNPHZ-LSDHHAIUSA-N 1 1 330.436 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)[C@@H]1C ZINC000993683149 769475163 /nfs/dbraw/zinc/47/51/63/769475163.db2.gz LJKGWGWXQSNPHZ-LSDHHAIUSA-N 1 1 330.436 0.935 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC001078358344 782769014 /nfs/dbraw/zinc/76/90/14/782769014.db2.gz ODQDDIRPJCKFAT-ZIAGYGMSSA-N 1 1 348.451 0.900 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC001018632453 769684147 /nfs/dbraw/zinc/68/41/47/769684147.db2.gz NYOGPBMFTJYWDB-OLZOCXBDSA-N 1 1 325.376 0.512 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC000993822900 769684760 /nfs/dbraw/zinc/68/47/60/769684760.db2.gz ZVJVTBKUKOTTAU-OAHLLOKOSA-N 1 1 346.435 0.279 20 30 ECEDMO CCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078359671 782770927 /nfs/dbraw/zinc/77/09/27/782770927.db2.gz BSGXORKVGJHBFT-OCCSQVGLSA-N 1 1 334.424 0.473 20 30 ECEDMO CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078359669 782770985 /nfs/dbraw/zinc/77/09/85/782770985.db2.gz BSGXORKVGJHBFT-GXTWGEPZSA-N 1 1 334.424 0.473 20 30 ECEDMO CC(C)Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078359843 782771346 /nfs/dbraw/zinc/77/13/46/782771346.db2.gz GDVAVPBFPRGJBO-CABCVRRESA-N 1 1 348.451 0.801 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)cn1 ZINC000993878426 769776381 /nfs/dbraw/zinc/77/63/81/769776381.db2.gz KBPIOTDATVJSQI-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000993926480 769831259 /nfs/dbraw/zinc/83/12/59/769831259.db2.gz BWOPUMWQNRSXGF-WFASDCNBSA-N 1 1 334.420 0.116 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCOCCNc1ccc(C#N)nn1 ZINC001127403825 769844875 /nfs/dbraw/zinc/84/48/75/769844875.db2.gz PWPUTKHGKOJMLU-UHFFFAOYSA-N 1 1 348.451 0.965 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cccn3)[C@H]2C)nn1 ZINC000993950226 769932303 /nfs/dbraw/zinc/93/23/03/769932303.db2.gz LQJHAFJDKIGSTR-LSDHHAIUSA-N 1 1 343.435 0.944 20 30 ECEDMO C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCOCC1)Nc1cnc(C#N)cn1 ZINC001089356460 769956587 /nfs/dbraw/zinc/95/65/87/769956587.db2.gz XRTKZDFVZGNBSG-KGLIPLIRSA-N 1 1 346.435 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](C)SC)C2)C1 ZINC001018816172 769994383 /nfs/dbraw/zinc/99/43/83/769994383.db2.gz ZHBPSYNFRKZQNM-CABCVRRESA-N 1 1 349.500 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H](C)SC)C2)C1 ZINC001018816172 769994390 /nfs/dbraw/zinc/99/43/90/769994390.db2.gz ZHBPSYNFRKZQNM-CABCVRRESA-N 1 1 349.500 0.896 20 30 ECEDMO C#CCCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055895603 770125788 /nfs/dbraw/zinc/12/57/88/770125788.db2.gz XGQVYXXTBAJMCQ-LPHOPBHVSA-N 1 1 349.475 0.601 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCO[C@H](C[NH2+]Cc3nncs3)C2)c[nH]1 ZINC001078383931 782820088 /nfs/dbraw/zinc/82/00/88/782820088.db2.gz IPIVWUYSSXYQPY-CYBMUJFWSA-N 1 1 346.416 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001042128955 782817518 /nfs/dbraw/zinc/81/75/18/782817518.db2.gz CILNITQWKHRFKX-HOCLYGCPSA-N 1 1 328.416 0.979 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001055930836 770261461 /nfs/dbraw/zinc/26/14/61/770261461.db2.gz ADXGQXBDIJKFLP-LPHOPBHVSA-N 1 1 349.475 0.457 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H]1C ZINC000994179128 770265246 /nfs/dbraw/zinc/26/52/46/770265246.db2.gz YNWCXDAYTMQYNU-STQMWFEESA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C ZINC000994193687 770283514 /nfs/dbraw/zinc/28/35/14/770283514.db2.gz MRJHTAMDHDDEQS-MCIONIFRSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C ZINC000994193687 770283519 /nfs/dbraw/zinc/28/35/19/770283519.db2.gz MRJHTAMDHDDEQS-MCIONIFRSA-N 1 1 341.402 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1C ZINC000994200577 770291741 /nfs/dbraw/zinc/29/17/41/770291741.db2.gz AOBPNMXXAYINOU-BIVLZKPYSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1C ZINC000994200577 770291748 /nfs/dbraw/zinc/29/17/48/770291748.db2.gz AOBPNMXXAYINOU-BIVLZKPYSA-N 1 1 331.460 0.951 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938811 770291990 /nfs/dbraw/zinc/29/19/90/770291990.db2.gz LENSRDMJTXALOL-LJQANCHMSA-N 1 1 349.475 0.601 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C ZINC000994217775 770324056 /nfs/dbraw/zinc/32/40/56/770324056.db2.gz XSWWDXYIOZZOOH-QWHCGFSZSA-N 1 1 344.419 0.967 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@H]21 ZINC001042133829 782828503 /nfs/dbraw/zinc/82/85/03/782828503.db2.gz LWHNCRMBHFLNBM-NWDGAFQWSA-N 1 1 339.417 0.649 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001055952323 770340843 /nfs/dbraw/zinc/34/08/43/770340843.db2.gz GDTDJIGTUVYAQX-SFHVURJKSA-N 1 1 346.431 0.465 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)[C@H]2C)nc1 ZINC000994234615 770364047 /nfs/dbraw/zinc/36/40/47/770364047.db2.gz CROBHKWMFMOROB-HOCLYGCPSA-N 1 1 338.415 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cnn(CC)n2)C1 ZINC001018986088 770485700 /nfs/dbraw/zinc/48/57/00/770485700.db2.gz RBXODOHWTZNYOR-HOCLYGCPSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cnn(CC)n2)C1 ZINC001018986088 770485704 /nfs/dbraw/zinc/48/57/04/770485704.db2.gz RBXODOHWTZNYOR-HOCLYGCPSA-N 1 1 330.436 0.086 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1)S(C)(=O)=O ZINC001019047879 770657521 /nfs/dbraw/zinc/65/75/21/770657521.db2.gz NJHYKEXERZMSBM-WFASDCNBSA-N 1 1 335.429 0.682 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCCCS3(=O)=O)C[C@@H]21 ZINC001042152638 782858941 /nfs/dbraw/zinc/85/89/41/782858941.db2.gz OOWAEDQSLGUHGC-GJZGRUSLSA-N 1 1 341.477 0.521 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001056060946 770710486 /nfs/dbraw/zinc/71/04/86/770710486.db2.gz VZLLLVKDHXMCNR-CQSZACIVSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C)nc(OC)n2)CC1 ZINC001056067798 770733957 /nfs/dbraw/zinc/73/39/57/770733957.db2.gz WUKNDSXMVOBHSN-HNNXBMFYSA-N 1 1 343.431 0.540 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C)nc(OC)n2)CC1 ZINC001056067798 770733962 /nfs/dbraw/zinc/73/39/62/770733962.db2.gz WUKNDSXMVOBHSN-HNNXBMFYSA-N 1 1 343.431 0.540 20 30 ECEDMO C=CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001056085741 770796031 /nfs/dbraw/zinc/79/60/31/770796031.db2.gz TVULNZTXTBLKHR-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1C ZINC000994491797 770897806 /nfs/dbraw/zinc/89/78/06/770897806.db2.gz YNQSTMKPKBHFQX-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 ZINC001042163360 782878346 /nfs/dbraw/zinc/87/83/46/782878346.db2.gz SHFPOHVRFYNCRM-LSDHHAIUSA-N 1 1 333.436 0.471 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)C3)O1 ZINC001019149658 770932349 /nfs/dbraw/zinc/93/23/49/770932349.db2.gz YTEWNSYIBFSMLE-GDBMZVCRSA-N 1 1 345.443 0.180 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)C3)O1 ZINC001019149658 770932353 /nfs/dbraw/zinc/93/23/53/770932353.db2.gz YTEWNSYIBFSMLE-GDBMZVCRSA-N 1 1 345.443 0.180 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001019162480 770968180 /nfs/dbraw/zinc/96/81/80/770968180.db2.gz MVCHRQIRARJZQG-GFCCVEGCSA-N 1 1 345.403 0.570 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)C[C@H]21 ZINC001042173303 782889824 /nfs/dbraw/zinc/88/98/24/782889824.db2.gz NTXXAMWVWVEWIK-HUUCEWRRSA-N 1 1 339.399 0.052 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC(C)(C)C1 ZINC001089401412 771059016 /nfs/dbraw/zinc/05/90/16/771059016.db2.gz UMQNUYUDYMGJSI-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC(C)(C)C1 ZINC001089424161 771126057 /nfs/dbraw/zinc/12/60/57/771126057.db2.gz SCEAXHURFDYUFJ-KGLIPLIRSA-N 1 1 345.447 0.786 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001019318086 771147938 /nfs/dbraw/zinc/14/79/38/771147938.db2.gz USOJUJRJXGZIBV-KKUMJFAQSA-N 1 1 332.448 0.937 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001056355236 771163495 /nfs/dbraw/zinc/16/34/95/771163495.db2.gz HAHNJHACLAXBLA-KNCOVGOOSA-N 1 1 326.404 0.383 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001056359813 771172008 /nfs/dbraw/zinc/17/20/08/771172008.db2.gz UEPASCINNBQWLP-QSJFSLAZSA-N 1 1 325.416 0.988 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001127443447 771213271 /nfs/dbraw/zinc/21/32/71/771213271.db2.gz MYEOSUYUMQDRLQ-HNNXBMFYSA-N 1 1 346.435 0.719 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001056442649 771273143 /nfs/dbraw/zinc/27/31/43/771273143.db2.gz HDXRZLMLMSWMCO-IAGOWNOFSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001056443884 771274814 /nfs/dbraw/zinc/27/48/14/771274814.db2.gz XDOQIRVKCLRFQJ-IXDOHACOSA-N 1 1 349.475 0.957 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(CC#Cc3ccccc3)C2)C1 ZINC001031595392 771366064 /nfs/dbraw/zinc/36/60/64/771366064.db2.gz WSACVLJRLSRCQA-GOSISDBHSA-N 1 1 327.428 0.417 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(CC#Cc3ccccc3)C2)C1 ZINC001031595392 771366065 /nfs/dbraw/zinc/36/60/65/771366065.db2.gz WSACVLJRLSRCQA-GOSISDBHSA-N 1 1 327.428 0.417 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001019498602 771366206 /nfs/dbraw/zinc/36/62/06/771366206.db2.gz JBGPVPMKEDCDSV-DZKIICNBSA-N 1 1 348.451 0.926 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCNC(=O)C3)C2)c1 ZINC001031613697 771447716 /nfs/dbraw/zinc/44/77/16/771447716.db2.gz QQFPZCUVGSHCPO-MRXNPFEDSA-N 1 1 326.400 0.632 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001060735495 771455131 /nfs/dbraw/zinc/45/51/31/771455131.db2.gz YJFSZCMDOIHPSD-NXOAAHMSSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)CC(C)(C)C1 ZINC001089567105 771522901 /nfs/dbraw/zinc/52/29/01/771522901.db2.gz VCRLRSHKAGRGNQ-CQSZACIVSA-N 1 1 332.448 0.968 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCCOCC3)C2)C1=O ZINC001031641605 771575092 /nfs/dbraw/zinc/57/50/92/771575092.db2.gz VPGIBDNADRKWHN-HOTGVXAUSA-N 1 1 335.448 0.638 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3C[C@@H]3C(F)F)C2)C1=O ZINC001031645723 771586149 /nfs/dbraw/zinc/58/61/49/771586149.db2.gz QCSCULCNXQMFKA-AVGNSLFASA-N 1 1 327.375 0.723 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C=C(C)C)CCCO1 ZINC001019611644 771593076 /nfs/dbraw/zinc/59/30/76/771593076.db2.gz MRDGLROOCHNDAL-SJORKVTESA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C=C(C)C)CCCO1 ZINC001019611644 771593082 /nfs/dbraw/zinc/59/30/82/771593082.db2.gz MRDGLROOCHNDAL-SJORKVTESA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C(C)=C/C)CCCO1 ZINC001019612101 771594316 /nfs/dbraw/zinc/59/43/16/771594316.db2.gz XLGCHMYAFRKIPT-LKNSVJLYSA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C(C)=C/C)CCCO1 ZINC001019612101 771594319 /nfs/dbraw/zinc/59/43/19/771594319.db2.gz XLGCHMYAFRKIPT-LKNSVJLYSA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc(Cl)c(=O)[nH]n2)C1 ZINC001056812290 771675816 /nfs/dbraw/zinc/67/58/16/771675816.db2.gz UNICTRQDQYEXFN-YPMHNXCESA-N 1 1 349.822 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cc(Cl)c(=O)[nH]n2)C1 ZINC001056812290 771675819 /nfs/dbraw/zinc/67/58/19/771675819.db2.gz UNICTRQDQYEXFN-YPMHNXCESA-N 1 1 349.822 0.946 20 30 ECEDMO Cc1nc(N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccc1C#N ZINC001056812323 771676000 /nfs/dbraw/zinc/67/60/00/771676000.db2.gz WJKZMWPKZLIFNW-DAXOMENPSA-N 1 1 343.431 0.994 20 30 ECEDMO Cc1nc(N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccc1C#N ZINC001056812323 771676001 /nfs/dbraw/zinc/67/60/01/771676001.db2.gz WJKZMWPKZLIFNW-DAXOMENPSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057027322 771962867 /nfs/dbraw/zinc/96/28/67/771962867.db2.gz DTFADWMMZYDCAZ-ZIAGYGMSSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2ccc(C)nn2)C1 ZINC001057060764 772015220 /nfs/dbraw/zinc/01/52/20/772015220.db2.gz QHJGQIDVBLGCHD-HOTGVXAUSA-N 1 1 327.432 0.920 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2ccc(C)nn2)C1 ZINC001057060764 772015225 /nfs/dbraw/zinc/01/52/25/772015225.db2.gz QHJGQIDVBLGCHD-HOTGVXAUSA-N 1 1 327.432 0.920 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)nc3)C2)O1 ZINC001057062153 772018403 /nfs/dbraw/zinc/01/84/03/772018403.db2.gz MKUWUJDZJBKQIQ-KBRIMQKVSA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3ccc(C#N)nc3)C2)O1 ZINC001057062153 772018409 /nfs/dbraw/zinc/01/84/09/772018409.db2.gz MKUWUJDZJBKQIQ-KBRIMQKVSA-N 1 1 343.431 0.709 20 30 ECEDMO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001057066489 772028208 /nfs/dbraw/zinc/02/82/08/772028208.db2.gz RAFSPADJGFIMLA-HUUCEWRRSA-N 1 1 328.420 0.870 20 30 ECEDMO Cc1nc(N2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)ccc1C#N ZINC001057115281 772108857 /nfs/dbraw/zinc/10/88/57/772108857.db2.gz LBARTJOMYRGSPL-INIZCTEOSA-N 1 1 343.431 0.631 20 30 ECEDMO Cc1nc(N2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)ccc1C#N ZINC001057115281 772108861 /nfs/dbraw/zinc/10/88/61/772108861.db2.gz LBARTJOMYRGSPL-INIZCTEOSA-N 1 1 343.431 0.631 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001057115545 772109370 /nfs/dbraw/zinc/10/93/70/772109370.db2.gz ZZABWJDMPSCRIF-HNNXBMFYSA-N 1 1 329.404 0.323 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001057115545 772109372 /nfs/dbraw/zinc/10/93/72/772109372.db2.gz ZZABWJDMPSCRIF-HNNXBMFYSA-N 1 1 329.404 0.323 20 30 ECEDMO COCCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001020084617 772138858 /nfs/dbraw/zinc/13/88/58/772138858.db2.gz MLBCXFQQUMRZDT-HAQNSBGRSA-N 1 1 344.375 0.509 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001020123965 772186841 /nfs/dbraw/zinc/18/68/41/772186841.db2.gz RLCMQQAPUMUDJZ-TUKIKUTGSA-N 1 1 329.404 0.700 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057256013 772353759 /nfs/dbraw/zinc/35/37/59/772353759.db2.gz FLZRWTBETUAWMA-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C=CCOCCCC(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001057267274 772375763 /nfs/dbraw/zinc/37/57/63/772375763.db2.gz YTRJOAXFSRESIT-UHFFFAOYSA-N 1 1 343.468 0.248 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001020275103 772388253 /nfs/dbraw/zinc/38/82/53/772388253.db2.gz PBTKPIHXXGLUKI-UKMLZYKCSA-N 1 1 346.431 0.888 20 30 ECEDMO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001078473357 783020598 /nfs/dbraw/zinc/02/05/98/783020598.db2.gz XFHCMUUMCSAWOU-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057426989 772601611 /nfs/dbraw/zinc/60/16/11/772601611.db2.gz MCYUPYSZLKGMJV-OCCSQVGLSA-N 1 1 328.420 0.371 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)C#CC(C)C ZINC001057524859 772717048 /nfs/dbraw/zinc/71/70/48/772717048.db2.gz UHEPBQSFUDXYHN-UHFFFAOYSA-N 1 1 325.453 0.313 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540210 772735191 /nfs/dbraw/zinc/73/51/91/772735191.db2.gz LBPCYRUSMBTWCS-CABCVRRESA-N 1 1 337.464 0.171 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057619239 772822392 /nfs/dbraw/zinc/82/23/92/772822392.db2.gz GCKIONVAZWOUNR-UHFFFAOYSA-N 1 1 346.431 0.357 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001057643529 772854848 /nfs/dbraw/zinc/85/48/48/772854848.db2.gz BFYOJTIMBAXBRH-UHFFFAOYSA-N 1 1 334.420 0.178 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](Nc2nccnc2C#N)C1 ZINC001057652188 772868071 /nfs/dbraw/zinc/86/80/71/772868071.db2.gz AIXAHDAPZBBVSD-ZDUSSCGKSA-N 1 1 325.376 0.956 20 30 ECEDMO N#Cc1cnc(N[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001057668127 772891176 /nfs/dbraw/zinc/89/11/76/772891176.db2.gz PRPOQZOWZVRHEG-CQSZACIVSA-N 1 1 344.419 0.473 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001057694570 772918532 /nfs/dbraw/zinc/91/85/32/772918532.db2.gz JVYFJFZTQVHMAB-CABCVRRESA-N 1 1 339.480 0.724 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057759116 772968257 /nfs/dbraw/zinc/96/82/57/772968257.db2.gz GCVVHYFKBQWCHR-KBPBESRZSA-N 1 1 328.420 0.657 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001057807798 773008228 /nfs/dbraw/zinc/00/82/28/773008228.db2.gz QZLVNWCSTIKXQM-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC)CCC1 ZINC001057821326 773030442 /nfs/dbraw/zinc/03/04/42/773030442.db2.gz AAWKHSLFBXTOQP-UHFFFAOYSA-N 1 1 337.464 0.459 20 30 ECEDMO C=CCOCCCC(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057863038 773087267 /nfs/dbraw/zinc/08/72/67/773087267.db2.gz CUJBBVFGSAEVGM-UHFFFAOYSA-N 1 1 343.468 0.247 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)C1 ZINC001057873534 773106949 /nfs/dbraw/zinc/10/69/49/773106949.db2.gz CVUQVOWYCZNJKQ-GJZGRUSLSA-N 1 1 338.452 0.061 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057875862 773112567 /nfs/dbraw/zinc/11/25/67/773112567.db2.gz OPOYHAUNESTXMZ-QGZVFWFLSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057875862 773112570 /nfs/dbraw/zinc/11/25/70/773112570.db2.gz OPOYHAUNESTXMZ-QGZVFWFLSA-N 1 1 343.431 0.759 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057918061 773182891 /nfs/dbraw/zinc/18/28/91/773182891.db2.gz AUKYAXRZRDFLQA-UHFFFAOYSA-N 1 1 325.376 0.638 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001057950589 773262974 /nfs/dbraw/zinc/26/29/74/773262974.db2.gz DHVFVIYDTQFOQJ-CQSZACIVSA-N 1 1 348.447 0.726 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C(C)C)CC1 ZINC001057962074 773293637 /nfs/dbraw/zinc/29/36/37/773293637.db2.gz GNXNDGYRWJQWTM-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C(C)C)CC1 ZINC001057962074 773293641 /nfs/dbraw/zinc/29/36/41/773293641.db2.gz GNXNDGYRWJQWTM-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)CC(=C)C ZINC001057962375 773295431 /nfs/dbraw/zinc/29/54/31/773295431.db2.gz TVZYPZVQQUVBMD-IRXDYDNUSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)CC(=C)C ZINC001057962375 773295438 /nfs/dbraw/zinc/29/54/38/773295438.db2.gz TVZYPZVQQUVBMD-IRXDYDNUSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C1CCC1 ZINC001057962507 773295531 /nfs/dbraw/zinc/29/55/31/773295531.db2.gz YQJZJEKTWFRDDH-WBVHZDCISA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C1CCC1 ZINC001057962507 773295538 /nfs/dbraw/zinc/29/55/38/773295538.db2.gz YQJZJEKTWFRDDH-WBVHZDCISA-N 1 1 349.475 0.457 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001040608641 783095798 /nfs/dbraw/zinc/09/57/98/783095798.db2.gz GMLRSUFILUDKMK-QFBILLFUSA-N 1 1 349.475 0.744 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040612876 783100962 /nfs/dbraw/zinc/10/09/62/783100962.db2.gz GORIMRSPKAONBT-QAPCUYQASA-N 1 1 335.448 0.211 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058087029 773508465 /nfs/dbraw/zinc/50/84/65/773508465.db2.gz BAQQLWKZEMEGAA-ZFWWWQNUSA-N 1 1 342.447 0.973 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001040613417 783101700 /nfs/dbraw/zinc/10/17/00/783101700.db2.gz LBMMGHHWNKENDG-VQIMIIECSA-N 1 1 349.475 0.601 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001058166320 773680019 /nfs/dbraw/zinc/68/00/19/773680019.db2.gz YJGRSEKLIIHURH-UONOGXRCSA-N 1 1 328.420 0.693 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058167742 773683685 /nfs/dbraw/zinc/68/36/85/773683685.db2.gz KXSBEBFZIWWOMV-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058167742 773683689 /nfs/dbraw/zinc/68/36/89/773683689.db2.gz KXSBEBFZIWWOMV-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058240859 773828569 /nfs/dbraw/zinc/82/85/69/773828569.db2.gz BWQVQUPTDXEVNW-DZGCQCFKSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058264133 773875751 /nfs/dbraw/zinc/87/57/51/773875751.db2.gz OEBKMHLCOSVMGF-CABCVRRESA-N 1 1 338.415 0.531 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058264133 773875754 /nfs/dbraw/zinc/87/57/54/773875754.db2.gz OEBKMHLCOSVMGF-CABCVRRESA-N 1 1 338.415 0.531 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058316731 773960327 /nfs/dbraw/zinc/96/03/27/773960327.db2.gz GMYVFZSQGJXXQA-GOEBONIOSA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058316731 773960331 /nfs/dbraw/zinc/96/03/31/773960331.db2.gz GMYVFZSQGJXXQA-GOEBONIOSA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1nsc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001058317058 773961483 /nfs/dbraw/zinc/96/14/83/773961483.db2.gz NTGQCYQPSXHRPS-WCQYABFASA-N 1 1 335.433 0.349 20 30 ECEDMO Cc1nsc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001058317058 773961487 /nfs/dbraw/zinc/96/14/87/773961487.db2.gz NTGQCYQPSXHRPS-WCQYABFASA-N 1 1 335.433 0.349 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3nc(C)ccc3C#N)C2)C1 ZINC001058376175 774059777 /nfs/dbraw/zinc/05/97/77/774059777.db2.gz GVFBUYQATNMSHE-HOTGVXAUSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3nc(C)ccc3C#N)C2)C1 ZINC001058376175 774059785 /nfs/dbraw/zinc/05/97/85/774059785.db2.gz GVFBUYQATNMSHE-HOTGVXAUSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058376842 774060886 /nfs/dbraw/zinc/06/08/86/774060886.db2.gz XOENVSRRMMGSMM-HUUCEWRRSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058376842 774060889 /nfs/dbraw/zinc/06/08/89/774060889.db2.gz XOENVSRRMMGSMM-HUUCEWRRSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058376904 774062113 /nfs/dbraw/zinc/06/21/13/774062113.db2.gz YZJBKDPNSVDKIL-UKRRQHHQSA-N 1 1 347.394 0.508 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058376904 774062116 /nfs/dbraw/zinc/06/21/16/774062116.db2.gz YZJBKDPNSVDKIL-UKRRQHHQSA-N 1 1 347.394 0.508 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@]1(C)C=CCC1 ZINC001058416898 774141092 /nfs/dbraw/zinc/14/10/92/774141092.db2.gz XXHQEDCLMGKJQQ-QFBILLFUSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@]1(C)C=CCC1 ZINC001058416898 774141095 /nfs/dbraw/zinc/14/10/95/774141095.db2.gz XXHQEDCLMGKJQQ-QFBILLFUSA-N 1 1 347.459 0.377 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058469119 774245734 /nfs/dbraw/zinc/24/57/34/774245734.db2.gz ZHWACSKZDOGILV-LSDHHAIUSA-N 1 1 325.453 0.478 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001058525767 774363610 /nfs/dbraw/zinc/36/36/10/774363610.db2.gz ZVMRUUULKQYMKR-YDHLFZDLSA-N 1 1 328.420 0.773 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)C1 ZINC001058543299 774399780 /nfs/dbraw/zinc/39/97/80/774399780.db2.gz PWVAFWRXPQBTLM-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 ZINC001058582842 774475691 /nfs/dbraw/zinc/47/56/91/774475691.db2.gz SVOFJTHKSYCLEI-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)O1 ZINC001058587811 774485277 /nfs/dbraw/zinc/48/52/77/774485277.db2.gz KGTQWAVUQXYOIT-VHDGCEQUSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)O1 ZINC001058587811 774485280 /nfs/dbraw/zinc/48/52/80/774485280.db2.gz KGTQWAVUQXYOIT-VHDGCEQUSA-N 1 1 329.404 0.367 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001044779086 774603287 /nfs/dbraw/zinc/60/32/87/774603287.db2.gz TVGCBZMNDHYESC-OAGGEKHMSA-N 1 1 329.404 0.103 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001044962753 774772427 /nfs/dbraw/zinc/77/24/27/774772427.db2.gz PWAJXCIKONVULZ-MNOVXSKESA-N 1 1 343.391 0.309 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001044978972 774792480 /nfs/dbraw/zinc/79/24/80/774792480.db2.gz BNMMMKJIUIDRRU-ZIAGYGMSSA-N 1 1 325.453 0.476 20 30 ECEDMO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1)c1nnnn1C ZINC001044979355 774793031 /nfs/dbraw/zinc/79/30/31/774793031.db2.gz QNLZMNKBNQSXPC-PWSUYJOCSA-N 1 1 328.380 0.365 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001044985956 774801682 /nfs/dbraw/zinc/80/16/82/774801682.db2.gz PTQZKGDBFDPCLP-KGLIPLIRSA-N 1 1 337.464 0.618 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001045069119 774929172 /nfs/dbraw/zinc/92/91/72/774929172.db2.gz PEVBCGRKCQLUER-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+][C@H](C)c2nnnn2C)nc1 ZINC001045280037 775309287 /nfs/dbraw/zinc/30/92/87/775309287.db2.gz ZMOLRPLGZVSBCO-OCCSQVGLSA-N 1 1 339.403 0.542 20 30 ECEDMO Cn1nncc1C[NH+]1CCC(C)(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001045410528 775557430 /nfs/dbraw/zinc/55/74/30/775557430.db2.gz ZCPFMQNRBGGHLV-UHFFFAOYSA-N 1 1 327.392 0.799 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001045455453 775633449 /nfs/dbraw/zinc/63/34/49/775633449.db2.gz UMFXOMQZMMLOPA-KRWDZBQOSA-N 1 1 335.448 0.518 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](n2ccnn2)C1 ZINC001070032694 790395297 /nfs/dbraw/zinc/39/52/97/790395297.db2.gz HPROKSWQOQIPKN-SUJAAXHWSA-N 1 1 331.420 0.763 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001044293916 776077375 /nfs/dbraw/zinc/07/73/75/776077375.db2.gz CPWMNNUEZUEFFH-HUUCEWRRSA-N 1 1 339.480 0.866 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044404402 776278569 /nfs/dbraw/zinc/27/85/69/776278569.db2.gz DIWANEKXCOONSE-CQSZACIVSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001044464753 776324342 /nfs/dbraw/zinc/32/43/42/776324342.db2.gz RNVCLIOFZJXZIA-LSDHHAIUSA-N 1 1 349.475 0.905 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)c(C#N)cn1 ZINC001044546715 776416731 /nfs/dbraw/zinc/41/67/31/776416731.db2.gz FPWORDQVBZTSGN-VMGRFDJRSA-N 1 1 343.431 0.269 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001079682797 776677017 /nfs/dbraw/zinc/67/70/17/776677017.db2.gz WEDXGHGGMHIRQJ-YUELXQCFSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001079682797 776677022 /nfs/dbraw/zinc/67/70/22/776677022.db2.gz WEDXGHGGMHIRQJ-YUELXQCFSA-N 1 1 345.447 0.566 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001079686412 776684595 /nfs/dbraw/zinc/68/45/95/776684595.db2.gz CKPAZWZAYWXBHK-RDTXWAMCSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001079866017 776998114 /nfs/dbraw/zinc/99/81/14/776998114.db2.gz OVCSRIZJJBOBIQ-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001079866017 776998118 /nfs/dbraw/zinc/99/81/18/776998118.db2.gz OVCSRIZJJBOBIQ-INIZCTEOSA-N 1 1 335.448 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)[nH]2)C[C@H]1C ZINC001079878165 777012255 /nfs/dbraw/zinc/01/22/55/777012255.db2.gz JPPOWZBYOVBPPN-YUELXQCFSA-N 1 1 330.436 0.147 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)[nH]2)C[C@H]1C ZINC001079878165 777012263 /nfs/dbraw/zinc/01/22/63/777012263.db2.gz JPPOWZBYOVBPPN-YUELXQCFSA-N 1 1 330.436 0.147 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2Cl)[C@@H](n2ccnn2)C1 ZINC001070073231 790510986 /nfs/dbraw/zinc/51/09/86/790510986.db2.gz ATQXWAVACMGMJX-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001079981865 777189051 /nfs/dbraw/zinc/18/90/51/777189051.db2.gz FJMLNEKFRCYGGN-ZYHUDNBSSA-N 1 1 325.390 0.000 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001079981865 777189056 /nfs/dbraw/zinc/18/90/56/777189056.db2.gz FJMLNEKFRCYGGN-ZYHUDNBSSA-N 1 1 325.390 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COCC=C)C1 ZINC001080008984 777221535 /nfs/dbraw/zinc/22/15/35/777221535.db2.gz LCRZQIZWDBRDNJ-INIZCTEOSA-N 1 1 333.432 0.346 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COCC=C)C1 ZINC001080008984 777221543 /nfs/dbraw/zinc/22/15/43/777221543.db2.gz LCRZQIZWDBRDNJ-INIZCTEOSA-N 1 1 333.432 0.346 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](CC)OCC)C1 ZINC001080009248 777222730 /nfs/dbraw/zinc/22/27/30/777222730.db2.gz WETQOFBFXLCJJT-DLBZAZTESA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H](CC)OCC)C1 ZINC001080009248 777222735 /nfs/dbraw/zinc/22/27/35/777222735.db2.gz WETQOFBFXLCJJT-DLBZAZTESA-N 1 1 349.475 0.958 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C#CC(C)(C)C)C1 ZINC001080014249 777230843 /nfs/dbraw/zinc/23/08/43/777230843.db2.gz OKJKNSSEYWAEFZ-GDBMZVCRSA-N 1 1 349.475 0.814 20 30 ECEDMO CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C#CC(C)(C)C)C1 ZINC001080014249 777230852 /nfs/dbraw/zinc/23/08/52/777230852.db2.gz OKJKNSSEYWAEFZ-GDBMZVCRSA-N 1 1 349.475 0.814 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001080061634 777321716 /nfs/dbraw/zinc/32/17/16/777321716.db2.gz DJUJNZUYTDIQQP-GDBMZVCRSA-N 1 1 332.448 0.835 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001080061634 777321730 /nfs/dbraw/zinc/32/17/30/777321730.db2.gz DJUJNZUYTDIQQP-GDBMZVCRSA-N 1 1 332.448 0.835 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001080096251 777381894 /nfs/dbraw/zinc/38/18/94/777381894.db2.gz AOOHIFFPDNAHRZ-UHFFFAOYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H](n2ccnn2)C1 ZINC001070084745 790549676 /nfs/dbraw/zinc/54/96/76/790549676.db2.gz SLTCQSKVUXZPSE-CABCVRRESA-N 1 1 329.408 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261449 777622445 /nfs/dbraw/zinc/62/24/45/777622445.db2.gz NWCJSMURNVGIRG-UHOFOFEASA-N 1 1 326.400 0.631 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001080326050 777691047 /nfs/dbraw/zinc/69/10/47/777691047.db2.gz UHCCSMFATFHJHD-HOTGVXAUSA-N 1 1 349.475 0.816 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1Nc1ncc(C#N)cc1F ZINC001043104629 777735243 /nfs/dbraw/zinc/73/52/43/777735243.db2.gz RAUGDJOCWJNXKS-KCPJHIHWSA-N 1 1 347.394 0.682 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1Nc1ncc(C#N)cc1F ZINC001043104629 777735248 /nfs/dbraw/zinc/73/52/48/777735248.db2.gz RAUGDJOCWJNXKS-KCPJHIHWSA-N 1 1 347.394 0.682 20 30 ECEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001043126393 777777411 /nfs/dbraw/zinc/77/74/11/777777411.db2.gz PSBUYBRPFINIJO-UHFFFAOYSA-N 1 1 327.406 0.649 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001080398982 777793762 /nfs/dbraw/zinc/79/37/62/777793762.db2.gz WADZFXGIMLESMS-RTXFEEFZSA-N 1 1 335.383 0.386 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001080398982 777793769 /nfs/dbraw/zinc/79/37/69/777793769.db2.gz WADZFXGIMLESMS-RTXFEEFZSA-N 1 1 335.383 0.386 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2C)c1 ZINC001080409659 777811246 /nfs/dbraw/zinc/81/12/46/777811246.db2.gz JRAWJMGELNUZDT-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2C)c1 ZINC001080410774 777811565 /nfs/dbraw/zinc/81/15/65/777811565.db2.gz SIVYZSVBQMEUAG-IIYDPXPESA-N 1 1 340.427 0.780 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2C)c1 ZINC001080410774 777811574 /nfs/dbraw/zinc/81/15/74/777811574.db2.gz SIVYZSVBQMEUAG-IIYDPXPESA-N 1 1 340.427 0.780 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001043202965 777949176 /nfs/dbraw/zinc/94/91/76/777949176.db2.gz ZVJUDBNMWGXUEP-UHFFFAOYSA-N 1 1 345.871 0.796 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001043207171 777960019 /nfs/dbraw/zinc/96/00/19/777960019.db2.gz NOLKQKKRLZBRJC-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3C#N)C2)C1 ZINC001043211827 777973623 /nfs/dbraw/zinc/97/36/23/777973623.db2.gz XXRGEIXZQLZJKA-YUELXQCFSA-N 1 1 344.419 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3C#N)C2)C1 ZINC001043211827 777973628 /nfs/dbraw/zinc/97/36/28/777973628.db2.gz XXRGEIXZQLZJKA-YUELXQCFSA-N 1 1 344.419 0.328 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001043235551 778026798 /nfs/dbraw/zinc/02/67/98/778026798.db2.gz UJTZTCPMUDFXCQ-HUUCEWRRSA-N 1 1 349.475 0.905 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001080578790 778083582 /nfs/dbraw/zinc/08/35/82/778083582.db2.gz AAGWTCWKNMVSFP-NXEZZACHSA-N 1 1 329.326 0.907 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001080578790 778083591 /nfs/dbraw/zinc/08/35/91/778083591.db2.gz AAGWTCWKNMVSFP-NXEZZACHSA-N 1 1 329.326 0.907 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2C)nn1 ZINC001080579969 778084605 /nfs/dbraw/zinc/08/46/05/778084605.db2.gz BOSUXWOFJQHCRG-IUODEOHRSA-N 1 1 343.435 0.756 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]2C)nn1 ZINC001080579969 778084617 /nfs/dbraw/zinc/08/46/17/778084617.db2.gz BOSUXWOFJQHCRG-IUODEOHRSA-N 1 1 343.435 0.756 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C3CCC3)C2)CCC1 ZINC001043352690 778211081 /nfs/dbraw/zinc/21/10/81/778211081.db2.gz NGZSTGPCNVTNIR-UHFFFAOYSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001043432565 778321917 /nfs/dbraw/zinc/32/19/17/778321917.db2.gz IUVUKQAPUSNRIA-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C1CCC(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001043432384 778322024 /nfs/dbraw/zinc/32/20/24/778322024.db2.gz YSRWLJUFABIUMX-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001043464141 778377766 /nfs/dbraw/zinc/37/77/66/778377766.db2.gz SUQFGOKPSIHOJY-ZDUSSCGKSA-N 1 1 332.404 0.416 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043464502 778378818 /nfs/dbraw/zinc/37/88/18/778378818.db2.gz WLZIZMMKFKWLPA-OAHLLOKOSA-N 1 1 337.464 0.905 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1Nc1cncc(C#N)n1 ZINC001043517074 778450249 /nfs/dbraw/zinc/45/02/49/778450249.db2.gz KBEOQZHLZUHZSB-GZBFAFLISA-N 1 1 328.420 0.949 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070108719 790631643 /nfs/dbraw/zinc/63/16/43/790631643.db2.gz MPFDJWCBFYLAGZ-INIZCTEOSA-N 1 1 349.475 0.769 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001068591193 790654934 /nfs/dbraw/zinc/65/49/34/790654934.db2.gz JYGYAUBXLSUHFH-MGPQQGTHSA-N 1 1 328.420 0.997 20 30 ECEDMO CC#CCCCC(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070123076 790687934 /nfs/dbraw/zinc/68/79/34/790687934.db2.gz FFHGJTPLKLLVGR-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001068610772 790703539 /nfs/dbraw/zinc/70/35/39/790703539.db2.gz TVBFDPOYXOOTNY-AAVRWANBSA-N 1 1 328.420 0.417 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)C#N)O2 ZINC001068620743 790730489 /nfs/dbraw/zinc/73/04/89/790730489.db2.gz QZNJXGRTCGHION-KGLIPLIRSA-N 1 1 336.436 0.364 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]21 ZINC001042287963 779995019 /nfs/dbraw/zinc/99/50/19/779995019.db2.gz PPRMQGRALKXVPI-DLBZAZTESA-N 1 1 342.443 0.806 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC001042301683 780022288 /nfs/dbraw/zinc/02/22/88/780022288.db2.gz LXRUDRCLLDKOEB-ZIAGYGMSSA-N 1 1 348.447 0.816 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnon3)C2)cn1 ZINC001078500680 780028610 /nfs/dbraw/zinc/02/86/10/780028610.db2.gz VMLSNHGEBAFJJU-MRXNPFEDSA-N 1 1 341.371 0.467 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C)[C@H]3C2)nc1 ZINC001042316441 780060988 /nfs/dbraw/zinc/06/09/88/780060988.db2.gz MKPAWQWKHISZOO-WBVHZDCISA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)nc1 ZINC001042316441 780060994 /nfs/dbraw/zinc/06/09/94/780060994.db2.gz MKPAWQWKHISZOO-WBVHZDCISA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@H]21 ZINC001042341478 780103035 /nfs/dbraw/zinc/10/30/35/780103035.db2.gz NXBVABLVEOJCKG-WMLDXEAASA-N 1 1 336.399 0.832 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001042345134 780107853 /nfs/dbraw/zinc/10/78/53/780107853.db2.gz IFZXACRFGYFZDJ-QWHCGFSZSA-N 1 1 339.823 0.811 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001042345134 780107857 /nfs/dbraw/zinc/10/78/57/780107857.db2.gz IFZXACRFGYFZDJ-QWHCGFSZSA-N 1 1 339.823 0.811 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@H]21 ZINC001042345755 780109737 /nfs/dbraw/zinc/10/97/37/780109737.db2.gz NFETYKSCMZQETG-GOEBONIOSA-N 1 1 332.448 0.723 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001042349743 780117728 /nfs/dbraw/zinc/11/77/28/780117728.db2.gz SWELYIIJPPDYIC-CHWSQXEVSA-N 1 1 329.404 0.688 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]21 ZINC001042374201 780163269 /nfs/dbraw/zinc/16/32/69/780163269.db2.gz JWCUDCBJJCOVCM-CJNGLKHVSA-N 1 1 326.400 0.740 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001042629747 780554993 /nfs/dbraw/zinc/55/49/93/780554993.db2.gz VJWBVAJPXOKWOR-QHSBEEBCSA-N 1 1 344.419 0.008 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001042629747 780555001 /nfs/dbraw/zinc/55/50/01/780555001.db2.gz VJWBVAJPXOKWOR-QHSBEEBCSA-N 1 1 344.419 0.008 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001042629780 780555046 /nfs/dbraw/zinc/55/50/46/780555046.db2.gz WRTNAWFRYJBFIE-QHSBEEBCSA-N 1 1 344.419 0.008 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001042629780 780555053 /nfs/dbraw/zinc/55/50/53/780555053.db2.gz WRTNAWFRYJBFIE-QHSBEEBCSA-N 1 1 344.419 0.008 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001078896531 780593638 /nfs/dbraw/zinc/59/36/38/780593638.db2.gz OKXPXRQQLMIPLY-IAGOWNOFSA-N 1 1 349.475 0.816 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001078896531 780593645 /nfs/dbraw/zinc/59/36/45/780593645.db2.gz OKXPXRQQLMIPLY-IAGOWNOFSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001042658701 780598472 /nfs/dbraw/zinc/59/84/72/780598472.db2.gz OKRQQSGKRMKCJV-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001042661689 780604932 /nfs/dbraw/zinc/60/49/32/780604932.db2.gz YNLFLMVRRBJUMW-ZIAGYGMSSA-N 1 1 344.415 0.396 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001078964666 780660401 /nfs/dbraw/zinc/66/04/01/780660401.db2.gz UCHDEIBKMLZOIZ-CVEARBPZSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CN(C(=O)CC(N)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079229531 780903324 /nfs/dbraw/zinc/90/33/24/780903324.db2.gz FHIIOECDJPTUFE-QWHCGFSZSA-N 1 1 341.839 0.554 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(CCN(CC#N)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259905 780931659 /nfs/dbraw/zinc/93/16/59/780931659.db2.gz UKVZURUNUNVXCV-IXDOHACOSA-N 1 1 346.475 0.791 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042860674 780955409 /nfs/dbraw/zinc/95/54/09/780955409.db2.gz GACXAGYBQQDBGE-NWANDNLSSA-N 1 1 344.419 0.010 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001042940333 781071835 /nfs/dbraw/zinc/07/18/35/781071835.db2.gz MWIQHRZXSUXONF-AWEZNQCLSA-N 1 1 344.415 0.109 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)C1 ZINC001042942938 781076986 /nfs/dbraw/zinc/07/69/86/781076986.db2.gz GWMULJSOYVLALU-MRXNPFEDSA-N 1 1 349.475 0.457 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042968222 781114395 /nfs/dbraw/zinc/11/43/95/781114395.db2.gz GQYDACPWKJJGNX-HNNXBMFYSA-N 1 1 349.475 0.598 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042970043 781117908 /nfs/dbraw/zinc/11/79/08/781117908.db2.gz GYXSEPRMYKECLS-OAHLLOKOSA-N 1 1 349.475 0.600 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042970399 781118400 /nfs/dbraw/zinc/11/84/00/781118400.db2.gz LWFMIZRJVRVBBF-OAHLLOKOSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079447958 781129633 /nfs/dbraw/zinc/12/96/33/781129633.db2.gz YQUCTAQCEDYJJO-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001079472432 781156838 /nfs/dbraw/zinc/15/68/38/781156838.db2.gz SDPFCJCJUFYLRI-HOCLYGCPSA-N 1 1 335.448 0.875 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 ZINC001043022694 781201683 /nfs/dbraw/zinc/20/16/83/781201683.db2.gz HIRCEQUBUIWLNZ-INIZCTEOSA-N 1 1 347.459 0.352 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cncnc3)C2)C1=O ZINC001079606532 781313426 /nfs/dbraw/zinc/31/34/26/781313426.db2.gz OGTAHLGLNJNLID-YUELXQCFSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cncnc3)C2)C1=O ZINC001079606532 781313429 /nfs/dbraw/zinc/31/34/29/781313429.db2.gz OGTAHLGLNJNLID-YUELXQCFSA-N 1 1 329.404 0.314 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001077625173 781375154 /nfs/dbraw/zinc/37/51/54/781375154.db2.gz TZOQYYHMDOPRJF-DJIMGWMZSA-N 1 1 349.475 0.810 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)c1 ZINC001077648430 781422238 /nfs/dbraw/zinc/42/22/38/781422238.db2.gz KBUJUBHVEXRBBE-RCCFBDPRSA-N 1 1 343.427 0.797 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CC[N@H+](C)CCC ZINC001077657990 781442921 /nfs/dbraw/zinc/44/29/21/781442921.db2.gz FMNMOANHGLVPTD-HNNXBMFYSA-N 1 1 325.453 0.769 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC001041422787 781475392 /nfs/dbraw/zinc/47/53/92/781475392.db2.gz QUQNMTZQFGDZLY-CXAGYDPISA-N 1 1 331.420 0.657 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC001041451044 781543789 /nfs/dbraw/zinc/54/37/89/781543789.db2.gz FWDJSVVEFNZHTQ-QAPCUYQASA-N 1 1 332.448 0.725 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001077704359 781549400 /nfs/dbraw/zinc/54/94/00/781549400.db2.gz PMXZQUWOQHSNJN-HUUCEWRRSA-N 1 1 332.404 0.230 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001077720830 781581905 /nfs/dbraw/zinc/58/19/05/781581905.db2.gz UYOXJMXSUXIBGW-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001077720830 781581916 /nfs/dbraw/zinc/58/19/16/781581916.db2.gz UYOXJMXSUXIBGW-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001077738444 781625493 /nfs/dbraw/zinc/62/54/93/781625493.db2.gz BXKPLTRGUGVQQC-AWEZNQCLSA-N 1 1 325.453 0.932 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C2)C1 ZINC001041505813 781654082 /nfs/dbraw/zinc/65/40/82/781654082.db2.gz JRTPGAUODCAQLS-GOSISDBHSA-N 1 1 339.399 0.502 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001077838248 781801089 /nfs/dbraw/zinc/80/10/89/781801089.db2.gz SHEGHACPVKTFQS-HZPDHXFCSA-N 1 1 326.400 0.370 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001077838248 781801094 /nfs/dbraw/zinc/80/10/94/781801094.db2.gz SHEGHACPVKTFQS-HZPDHXFCSA-N 1 1 326.400 0.370 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001077846467 781810572 /nfs/dbraw/zinc/81/05/72/781810572.db2.gz RGRHPOZHPUPXRS-GDBMZVCRSA-N 1 1 328.372 0.141 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ncccn2)CCCO1 ZINC001039928329 783305740 /nfs/dbraw/zinc/30/57/40/783305740.db2.gz DIBBRFRBZUKCCI-CVEARBPZSA-N 1 1 343.431 0.286 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ncccn2)CCCO1 ZINC001039928329 783305744 /nfs/dbraw/zinc/30/57/44/783305744.db2.gz DIBBRFRBZUKCCI-CVEARBPZSA-N 1 1 343.431 0.286 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001040729482 783340961 /nfs/dbraw/zinc/34/09/61/783340961.db2.gz QDUCFRLORKXTMF-QAPCUYQASA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001040813719 783490932 /nfs/dbraw/zinc/49/09/32/783490932.db2.gz BHKZMLWSTPZZIG-DNVCBOLYSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070209109 783660770 /nfs/dbraw/zinc/66/07/70/783660770.db2.gz MOGTWTQETQZOQS-BBWFWOEESA-N 1 1 344.463 0.516 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070209109 783660776 /nfs/dbraw/zinc/66/07/76/783660776.db2.gz MOGTWTQETQZOQS-BBWFWOEESA-N 1 1 344.463 0.516 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccnnc2C)C[C@@H]1n1ccnn1 ZINC001070227166 783697087 /nfs/dbraw/zinc/69/70/87/783697087.db2.gz OQZFUROEMMHQGR-KGLIPLIRSA-N 1 1 347.810 0.784 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070289489 783794901 /nfs/dbraw/zinc/79/49/01/783794901.db2.gz FLHKHLDVTDHTJW-IKGGRYGDSA-N 1 1 344.463 0.516 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070289489 783794905 /nfs/dbraw/zinc/79/49/05/783794905.db2.gz FLHKHLDVTDHTJW-IKGGRYGDSA-N 1 1 344.463 0.516 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)c3cnon3)[nH]2)[C@H](C2CC2)C1 ZINC001070352296 783867641 /nfs/dbraw/zinc/86/76/41/783867641.db2.gz ORQUEILXLQCULW-NWDGAFQWSA-N 1 1 343.391 0.729 20 30 ECEDMO C=CC[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3cnon3)n2)[C@H](C2CC2)C1 ZINC001070352296 783867648 /nfs/dbraw/zinc/86/76/48/783867648.db2.gz ORQUEILXLQCULW-NWDGAFQWSA-N 1 1 343.391 0.729 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3cnon3)n2)[C@H](C2CC2)C1 ZINC001070352296 783867657 /nfs/dbraw/zinc/86/76/57/783867657.db2.gz ORQUEILXLQCULW-NWDGAFQWSA-N 1 1 343.391 0.729 20 30 ECEDMO C=CC[N@H+]1C[C@@H](c2nc(CNC(=O)c3cnon3)n[nH]2)[C@H](C2CC2)C1 ZINC001070352296 783867666 /nfs/dbraw/zinc/86/76/66/783867666.db2.gz ORQUEILXLQCULW-NWDGAFQWSA-N 1 1 343.391 0.729 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](c2nc(CNC(=O)c3cnon3)n[nH]2)[C@H](C2CC2)C1 ZINC001070352296 783867672 /nfs/dbraw/zinc/86/76/72/783867672.db2.gz ORQUEILXLQCULW-NWDGAFQWSA-N 1 1 343.391 0.729 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccccc2)C1 ZINC001038138975 783907962 /nfs/dbraw/zinc/90/79/62/783907962.db2.gz ZJDQJVQFAWQGEG-ROUUACIJSA-N 1 1 327.428 0.559 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccccc2)C1 ZINC001038138975 783907969 /nfs/dbraw/zinc/90/79/69/783907969.db2.gz ZJDQJVQFAWQGEG-ROUUACIJSA-N 1 1 327.428 0.559 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc3n(n2)CCC3)C1 ZINC001070411728 784001918 /nfs/dbraw/zinc/00/19/18/784001918.db2.gz XHOSTMMTLYKOMW-ZDUSSCGKSA-N 1 1 338.415 0.905 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001070421607 784031756 /nfs/dbraw/zinc/03/17/56/784031756.db2.gz RBWVZDXCEWJVPD-DZGCQCFKSA-N 1 1 345.447 0.870 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001070421562 784032153 /nfs/dbraw/zinc/03/21/53/784032153.db2.gz PVKZKXZTNBEECO-HIFRSBDPSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001070422509 784034235 /nfs/dbraw/zinc/03/42/35/784034235.db2.gz AKIRSEHCNSJDPJ-LBPRGKRZSA-N 1 1 340.387 0.566 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001070423187 784036705 /nfs/dbraw/zinc/03/67/05/784036705.db2.gz SGXSOBNRRHQFCE-LBPRGKRZSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070423187 784036710 /nfs/dbraw/zinc/03/67/10/784036710.db2.gz SGXSOBNRRHQFCE-LBPRGKRZSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070423187 784036721 /nfs/dbraw/zinc/03/67/21/784036721.db2.gz SGXSOBNRRHQFCE-LBPRGKRZSA-N 1 1 342.403 0.591 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001070425994 784042140 /nfs/dbraw/zinc/04/21/40/784042140.db2.gz LYYNWKRKLIATPK-AEGPPILISA-N 1 1 345.447 0.726 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001070429560 784049214 /nfs/dbraw/zinc/04/92/14/784049214.db2.gz KBSBHKJGMGKRHX-LLVKDONJSA-N 1 1 342.403 0.742 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(C)n2)C1 ZINC001070431447 784052944 /nfs/dbraw/zinc/05/29/44/784052944.db2.gz VQSXLBFPDOXUJD-GFCCVEGCSA-N 1 1 329.408 0.834 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442247 784084567 /nfs/dbraw/zinc/08/45/67/784084567.db2.gz FTGNDGVHERXGSG-HUUCEWRRSA-N 1 1 344.463 0.621 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001070907521 784093864 /nfs/dbraw/zinc/09/38/64/784093864.db2.gz RFTVIROSZRAUOI-CFVMTHIKSA-N 1 1 346.387 0.970 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C1CC(OC)C1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445480 784096573 /nfs/dbraw/zinc/09/65/73/784096573.db2.gz BYENXOMOKZFPOL-YMAMQOFZSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)Cc1cnoc1)C[C@H]2c1nnc(C)[nH]1 ZINC001070447462 784102894 /nfs/dbraw/zinc/10/28/94/784102894.db2.gz LGYAJPBSPORGTL-AWEZNQCLSA-N 1 1 342.403 0.758 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)C[C@H]2c1nnc(C)[nH]1 ZINC001070451234 784113159 /nfs/dbraw/zinc/11/31/59/784113159.db2.gz WCOKRNWOLVFILJ-CABCVRRESA-N 1 1 344.463 0.479 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001070919149 784114001 /nfs/dbraw/zinc/11/40/01/784114001.db2.gz AAZVQZREWWRQJY-XQQFMLRXSA-N 1 1 346.391 0.100 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001070919149 784114005 /nfs/dbraw/zinc/11/40/05/784114005.db2.gz AAZVQZREWWRQJY-XQQFMLRXSA-N 1 1 346.391 0.100 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001070921742 784120155 /nfs/dbraw/zinc/12/01/55/784120155.db2.gz LMCWHWORHXYQME-ZACQAIPSSA-N 1 1 345.443 0.230 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001070921742 784120159 /nfs/dbraw/zinc/12/01/59/784120159.db2.gz LMCWHWORHXYQME-ZACQAIPSSA-N 1 1 345.443 0.230 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C)n2C)CC1 ZINC001070938312 784165658 /nfs/dbraw/zinc/16/56/58/784165658.db2.gz NQTFDHHQDLIORW-UHFFFAOYSA-N 1 1 330.432 0.621 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C)n2C)CC1 ZINC001070938312 784165665 /nfs/dbraw/zinc/16/56/65/784165665.db2.gz NQTFDHHQDLIORW-UHFFFAOYSA-N 1 1 330.432 0.621 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC2CCOCC2)CC1 ZINC001070947252 784193699 /nfs/dbraw/zinc/19/36/99/784193699.db2.gz OQPTVIJXKVZDEB-UHFFFAOYSA-N 1 1 335.448 0.477 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC2CCOCC2)CC1 ZINC001070947252 784193704 /nfs/dbraw/zinc/19/37/04/784193704.db2.gz OQPTVIJXKVZDEB-UHFFFAOYSA-N 1 1 335.448 0.477 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC(=O)NCC[N@H+](CCC3CC3)CC2)c1 ZINC001070951421 784205845 /nfs/dbraw/zinc/20/58/45/784205845.db2.gz MSXKSPPUXCFLDO-UHFFFAOYSA-N 1 1 343.431 0.951 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1c1cn(C)cn1 ZINC001070513513 784213658 /nfs/dbraw/zinc/21/36/58/784213658.db2.gz SPMOOSNOOKDMKK-FUHWJXTLSA-N 1 1 348.410 0.899 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001070963430 784243504 /nfs/dbraw/zinc/24/35/04/784243504.db2.gz QQSMOWXKPJUTFV-UHFFFAOYSA-N 1 1 327.375 0.706 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001070963430 784243513 /nfs/dbraw/zinc/24/35/13/784243513.db2.gz QQSMOWXKPJUTFV-UHFFFAOYSA-N 1 1 327.375 0.706 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(C)c2C)CC1 ZINC001070967890 784258274 /nfs/dbraw/zinc/25/82/74/784258274.db2.gz BQCZJHTYIYFRBJ-UHFFFAOYSA-N 1 1 347.463 0.498 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(C)c2C)CC1 ZINC001070967890 784258282 /nfs/dbraw/zinc/25/82/82/784258282.db2.gz BQCZJHTYIYFRBJ-UHFFFAOYSA-N 1 1 347.463 0.498 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070992993 784347429 /nfs/dbraw/zinc/34/74/29/784347429.db2.gz HISNHQQNBIKEFT-HUUCEWRRSA-N 1 1 332.404 0.337 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCC2CCOCC2)CC1 ZINC001071006185 784388402 /nfs/dbraw/zinc/38/84/02/784388402.db2.gz YJKOYHXTKFBIJK-UHFFFAOYSA-N 1 1 349.475 0.867 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCC2CCOCC2)CC1 ZINC001071006185 784388416 /nfs/dbraw/zinc/38/84/16/784388416.db2.gz YJKOYHXTKFBIJK-UHFFFAOYSA-N 1 1 349.475 0.867 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001070592802 784394995 /nfs/dbraw/zinc/39/49/95/784394995.db2.gz GZGIWISFLLTHQP-UONOGXRCSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070592802 784395007 /nfs/dbraw/zinc/39/50/07/784395007.db2.gz GZGIWISFLLTHQP-UONOGXRCSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070592802 784395017 /nfs/dbraw/zinc/39/50/17/784395017.db2.gz GZGIWISFLLTHQP-UONOGXRCSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070592802 784395026 /nfs/dbraw/zinc/39/50/26/784395026.db2.gz GZGIWISFLLTHQP-UONOGXRCSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001070592802 784395036 /nfs/dbraw/zinc/39/50/36/784395036.db2.gz GZGIWISFLLTHQP-UONOGXRCSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001070592800 784395582 /nfs/dbraw/zinc/39/55/82/784395582.db2.gz GZGIWISFLLTHQP-KBPBESRZSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001070592800 784395586 /nfs/dbraw/zinc/39/55/86/784395586.db2.gz GZGIWISFLLTHQP-KBPBESRZSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001070592800 784395593 /nfs/dbraw/zinc/39/55/93/784395593.db2.gz GZGIWISFLLTHQP-KBPBESRZSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001070592800 784395604 /nfs/dbraw/zinc/39/56/04/784395604.db2.gz GZGIWISFLLTHQP-KBPBESRZSA-N 1 1 348.451 0.322 20 30 ECEDMO C=C(C)CN1CCOC[C@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001070592800 784395611 /nfs/dbraw/zinc/39/56/11/784395611.db2.gz GZGIWISFLLTHQP-KBPBESRZSA-N 1 1 348.451 0.322 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCOC2)n1 ZINC001070595510 784404508 /nfs/dbraw/zinc/40/45/08/784404508.db2.gz DLDCEKZNRIEYPB-KKUMJFAQSA-N 1 1 332.404 0.581 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2ncc[nH]2)n1 ZINC001070596421 784406185 /nfs/dbraw/zinc/40/61/85/784406185.db2.gz FWYRSDUXIHRVMI-KBPBESRZSA-N 1 1 342.403 0.971 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCCO2)n1 ZINC001070600192 784415946 /nfs/dbraw/zinc/41/59/46/784415946.db2.gz IALUVOSLDPUMJQ-ZNMIVQPWSA-N 1 1 332.404 0.723 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2cccnc2)CC1 ZINC001071015584 784420737 /nfs/dbraw/zinc/42/07/37/784420737.db2.gz KWSHDZYLNSIQMN-INIZCTEOSA-N 1 1 342.443 0.859 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2cccnc2)CC1 ZINC001071015584 784420744 /nfs/dbraw/zinc/42/07/44/784420744.db2.gz KWSHDZYLNSIQMN-INIZCTEOSA-N 1 1 342.443 0.859 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CCCF)CC2)cn1 ZINC001071016310 784425099 /nfs/dbraw/zinc/42/50/99/784425099.db2.gz GLGNUSIKJAHOCK-UHFFFAOYSA-N 1 1 346.406 0.687 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CCCF)CC2)cn1 ZINC001071016310 784425106 /nfs/dbraw/zinc/42/51/06/784425106.db2.gz GLGNUSIKJAHOCK-UHFFFAOYSA-N 1 1 346.406 0.687 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC001071017275 784429671 /nfs/dbraw/zinc/42/96/71/784429671.db2.gz OXXQOLGFNIKGIL-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC001071017275 784429678 /nfs/dbraw/zinc/42/96/78/784429678.db2.gz OXXQOLGFNIKGIL-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC001071022854 784446772 /nfs/dbraw/zinc/44/67/72/784446772.db2.gz DZIZIRQCQUNKRA-UHFFFAOYSA-N 1 1 347.463 0.808 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC001071022854 784446776 /nfs/dbraw/zinc/44/67/76/784446776.db2.gz DZIZIRQCQUNKRA-UHFFFAOYSA-N 1 1 347.463 0.808 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@H]1c1cncn1C ZINC001070661047 784516384 /nfs/dbraw/zinc/51/63/84/784516384.db2.gz VZDVNNNVBLHGJH-BZUAXINKSA-N 1 1 331.464 0.974 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001070672830 784530767 /nfs/dbraw/zinc/53/07/67/784530767.db2.gz QPFWTYOQOMVACQ-RHSMWYFYSA-N 1 1 334.420 0.626 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@@H](C)O2 ZINC001071134203 784578667 /nfs/dbraw/zinc/57/86/67/784578667.db2.gz OEWOZSNKZURVIK-CRAIPNDOSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@H](C)O2 ZINC001071134134 784578824 /nfs/dbraw/zinc/57/88/24/784578824.db2.gz NDMDHOAKEDCISO-YJBOKZPZSA-N 1 1 333.432 0.324 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)C[C@H](C)O2 ZINC001071136657 784582452 /nfs/dbraw/zinc/58/24/52/784582452.db2.gz NJGOGCURPDPBAB-DOTOQJQBSA-N 1 1 333.436 0.936 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1 ZINC001070721102 784595937 /nfs/dbraw/zinc/59/59/37/784595937.db2.gz OLOPKFPANAZCII-BZUAXINKSA-N 1 1 344.463 0.702 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 ZINC001071144171 784596905 /nfs/dbraw/zinc/59/69/05/784596905.db2.gz IMCSRRBBDAILFY-UKRRQHHQSA-N 1 1 330.450 0.299 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 ZINC001071144566 784597014 /nfs/dbraw/zinc/59/70/14/784597014.db2.gz PXQZMYQGOCMLCL-GOEBONIOSA-N 1 1 344.477 0.689 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nccnc1N)C[C@@H](C)O2 ZINC001071146085 784600454 /nfs/dbraw/zinc/60/04/54/784600454.db2.gz GLCIBRIUOKMZBB-CXAGYDPISA-N 1 1 331.420 0.940 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nccnc1N)C[C@@H](C)O2 ZINC001071147920 784602797 /nfs/dbraw/zinc/60/27/97/784602797.db2.gz ZIHOQSBKXHNXQO-CXAGYDPISA-N 1 1 331.420 0.940 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nccnc1N)C[C@H](C)O2 ZINC001071147923 784602965 /nfs/dbraw/zinc/60/29/65/784602965.db2.gz ZIHOQSBKXHNXQO-SUMWQHHRSA-N 1 1 331.420 0.940 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cc(C)n[nH]1)C[C@@H](C)O2 ZINC001071154970 784618667 /nfs/dbraw/zinc/61/86/67/784618667.db2.gz SLMFNLRNBFJNSI-QAPCUYQASA-N 1 1 330.432 0.976 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@H](C)O2 ZINC001071158848 784624297 /nfs/dbraw/zinc/62/42/97/784624297.db2.gz CCQKPHAURLYTOZ-SUMWQHHRSA-N 1 1 333.436 0.884 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@H](C)O2 ZINC001071159215 784626154 /nfs/dbraw/zinc/62/61/54/784626154.db2.gz IZUHCXILGZRXEY-KSSFIOAISA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC1OCCCO1)C[C@H](C)O2 ZINC001071162859 784633873 /nfs/dbraw/zinc/63/38/73/784633873.db2.gz YNMSNRHZSGEUSR-MAUKXSAKSA-N 1 1 336.432 0.855 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1ccnn1C)C[C@H](C)O2 ZINC001071164172 784636322 /nfs/dbraw/zinc/63/63/22/784636322.db2.gz IGTPBAREAGNCQZ-YJBOKZPZSA-N 1 1 330.432 0.678 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@H+](CC(=O)NC3CC3)C2)O1 ZINC001071166052 784640063 /nfs/dbraw/zinc/64/00/63/784640063.db2.gz BFMQAJNCCFCZDC-IFXJQAMLSA-N 1 1 345.443 0.370 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@@H+](CC(=O)NC3CC3)C2)O1 ZINC001071166052 784640069 /nfs/dbraw/zinc/64/00/69/784640069.db2.gz BFMQAJNCCFCZDC-IFXJQAMLSA-N 1 1 345.443 0.370 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccccc1=O)C[C@H](C)O2 ZINC001071171117 784652536 /nfs/dbraw/zinc/65/25/36/784652536.db2.gz ILUHJXDKOWZCGL-LPHOPBHVSA-N 1 1 343.427 0.563 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@@H](C)O2 ZINC001071176362 784664908 /nfs/dbraw/zinc/66/49/08/784664908.db2.gz UXHVQUJMSCOWQF-CXAGYDPISA-N 1 1 332.404 0.767 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1CC)C[C@@H](C)O2 ZINC001071178227 784671569 /nfs/dbraw/zinc/67/15/69/784671569.db2.gz MFWRZBZDHIWNRE-KDOFPFPSSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1CC)C[C@@H](C)O2 ZINC001071178227 784671574 /nfs/dbraw/zinc/67/15/74/784671574.db2.gz MFWRZBZDHIWNRE-KDOFPFPSSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1[nH]c(=O)[nH]c1C)C[C@@H](C)O2 ZINC001071178574 784672912 /nfs/dbraw/zinc/67/29/12/784672912.db2.gz RXINEEDJXVBMME-PXAZEXFGSA-N 1 1 332.404 0.752 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3c(n1)COCC3)C[C@H](C)O2 ZINC001071181436 784680219 /nfs/dbraw/zinc/68/02/19/784680219.db2.gz XQMGLAPOGZPVDQ-KBXCAEBGSA-N 1 1 344.415 0.352 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn3c(n1)COCC3)C[C@H](C)O2 ZINC001071181436 784680223 /nfs/dbraw/zinc/68/02/23/784680223.db2.gz XQMGLAPOGZPVDQ-KBXCAEBGSA-N 1 1 344.415 0.352 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(C)c1)C[C@@H](C)O2 ZINC001071183439 784683716 /nfs/dbraw/zinc/68/37/16/784683716.db2.gz OAUTWROIWZFBFF-RDTXWAMCSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)cn1C)C[C@@H](C)O2 ZINC001071185596 784687944 /nfs/dbraw/zinc/68/79/44/784687944.db2.gz JIGQEIRRQRKDOD-FZKQIMNGSA-N 1 1 346.431 0.615 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@@H](C)O2 ZINC001071188868 784693368 /nfs/dbraw/zinc/69/33/68/784693368.db2.gz CBTXINVHOSEGMD-FZKQIMNGSA-N 1 1 345.399 0.707 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)c(C)n[nH]c1=O)C[C@@H](C)O2 ZINC001071197115 784715257 /nfs/dbraw/zinc/71/52/57/784715257.db2.gz NMXYSCPXCDRRBX-KZULUSFZSA-N 1 1 344.415 0.738 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CCO)C3)C2)cc1 ZINC001071197604 784715798 /nfs/dbraw/zinc/71/57/98/784715798.db2.gz VTSGBWVBWBEQDE-HNAYVOBHSA-N 1 1 328.412 0.966 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccc(C)n1)C[C@@H](C)O2 ZINC001071211881 784747472 /nfs/dbraw/zinc/74/74/72/784747472.db2.gz PKSYRLQLWYURHT-SJLPKXTDSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)C[C@H](C)O2 ZINC001071218313 784762031 /nfs/dbraw/zinc/76/20/31/784762031.db2.gz LRRGMGGLJBCEAP-KBXCAEBGSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COc1cccnc1)C[C@@H](C)O2 ZINC001071218449 784762224 /nfs/dbraw/zinc/76/22/24/784762224.db2.gz NPGAFYCUAKBNMR-CRAIPNDOSA-N 1 1 329.400 0.785 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@@H](C)O2 ZINC001071218343 784762668 /nfs/dbraw/zinc/76/26/68/784762668.db2.gz MGPWKUIFNPUWOL-MJGOQNOKSA-N 1 1 349.475 0.424 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C[C@@H](C)O2 ZINC001071219568 784764430 /nfs/dbraw/zinc/76/44/30/784764430.db2.gz WHPKSSFKHXFCQR-ACJLOTCBSA-N 1 1 349.431 0.307 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@H](C)O2 ZINC001071219839 784766318 /nfs/dbraw/zinc/76/63/18/784766318.db2.gz YVEOKMQDJDEPJQ-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(=O)N1CCC(C)CC1)C[C@@H](C)O2 ZINC001071219812 784766833 /nfs/dbraw/zinc/76/68/33/784766833.db2.gz YNJHCSBAJURKFQ-APWZRJJASA-N 1 1 347.459 0.570 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@H](C)O2 ZINC001071219722 784766857 /nfs/dbraw/zinc/76/68/57/784766857.db2.gz XNUWOIQEIIXZJR-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(CC)nn1C)C[C@H](C)O2 ZINC001071223122 784775441 /nfs/dbraw/zinc/77/54/41/784775441.db2.gz IWUDDHOXXRGOJF-KBXCAEBGSA-N 1 1 330.432 0.921 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@H](C)O2 ZINC001071226070 784783367 /nfs/dbraw/zinc/78/33/67/784783367.db2.gz USTVYZFGHRBMBO-UGSOOPFHSA-N 1 1 346.431 0.995 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001071236405 784803448 /nfs/dbraw/zinc/80/34/48/784803448.db2.gz UQTJQPCVTLUFLM-JXFKEZNVSA-N 1 1 342.439 0.895 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cncn1)C[C@@H](C)O2 ZINC001071238063 784807613 /nfs/dbraw/zinc/80/76/13/784807613.db2.gz IKRHZZQOGNLTSW-WBVHZDCISA-N 1 1 333.436 0.936 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)C[C@@H](C)O2 ZINC001071240785 784813204 /nfs/dbraw/zinc/81/32/04/784813204.db2.gz KUTASHLMXGWZLV-CRAIPNDOSA-N 1 1 331.416 0.726 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071244555 784823748 /nfs/dbraw/zinc/82/37/48/784823748.db2.gz WTSCUOMMFZSMOF-FZKQIMNGSA-N 1 1 344.415 0.672 20 30 ECEDMO C=C(C)CN1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071259135 784867244 /nfs/dbraw/zinc/86/72/44/784867244.db2.gz ZHCVBPWNMOLBHI-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ncc[nH]3)C2)C(=O)C1 ZINC001071262179 784874571 /nfs/dbraw/zinc/87/45/71/784874571.db2.gz DZXSHPQAHOEKPA-AWEZNQCLSA-N 1 1 331.420 0.735 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ncc[nH]3)C2)C(=O)C1 ZINC001071262179 784874576 /nfs/dbraw/zinc/87/45/76/784874576.db2.gz DZXSHPQAHOEKPA-AWEZNQCLSA-N 1 1 331.420 0.735 20 30 ECEDMO C=C(C)CC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cn[nH]n3)C2)C(=O)C1 ZINC001071268060 784895619 /nfs/dbraw/zinc/89/56/19/784895619.db2.gz WGRSWSDCTNMTOJ-AWEZNQCLSA-N 1 1 346.435 0.520 20 30 ECEDMO C=C(C)CC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cn[nH]n3)C2)C(=O)C1 ZINC001071268060 784895626 /nfs/dbraw/zinc/89/56/26/784895626.db2.gz WGRSWSDCTNMTOJ-AWEZNQCLSA-N 1 1 346.435 0.520 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001071341000 784979892 /nfs/dbraw/zinc/97/98/92/784979892.db2.gz XABNTSPWNMCHLE-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001071340999 784980728 /nfs/dbraw/zinc/98/07/28/784980728.db2.gz XABNTSPWNMCHLE-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1C ZINC001071862640 785235948 /nfs/dbraw/zinc/23/59/48/785235948.db2.gz YDNXROXKVDYXJW-UONOGXRCSA-N 1 1 344.419 0.436 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@H]1C ZINC001071889758 785276217 /nfs/dbraw/zinc/27/62/17/785276217.db2.gz CAXWRPXYLOJWPH-CABCVRRESA-N 1 1 348.451 0.724 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1C ZINC001071548822 785285015 /nfs/dbraw/zinc/28/50/15/785285015.db2.gz MCESIHKAROPTQT-ZIAGYGMSSA-N 1 1 334.420 0.092 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001068764385 791098827 /nfs/dbraw/zinc/09/88/27/791098827.db2.gz POQYJEXBLYVOJM-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC[C@H]1C ZINC001071930536 785354260 /nfs/dbraw/zinc/35/42/60/785354260.db2.gz GKGNVMFNCNXREB-DGCLKSJQSA-N 1 1 332.404 0.731 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071660915 785470047 /nfs/dbraw/zinc/47/00/47/785470047.db2.gz CTYDCQHOTOTMAF-KBPBESRZSA-N 1 1 340.493 0.938 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccccc2OCC(N)=O)CC[C@@H]1C ZINC001071664089 785478435 /nfs/dbraw/zinc/47/84/35/785478435.db2.gz YBMWIHMACIHNIP-UONOGXRCSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2OCC(N)=O)CC[C@@H]1C ZINC001071664089 785478437 /nfs/dbraw/zinc/47/84/37/785478437.db2.gz YBMWIHMACIHNIP-UONOGXRCSA-N 1 1 329.400 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)N3CCC3)C2)nc1 ZINC001071999042 785503218 /nfs/dbraw/zinc/50/32/18/785503218.db2.gz MEIROCFNBLLRAZ-ZBFHGGJFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)N3CCC3)C2)nc1 ZINC001071999042 785503222 /nfs/dbraw/zinc/50/32/22/785503222.db2.gz MEIROCFNBLLRAZ-ZBFHGGJFSA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C ZINC001071686240 785519666 /nfs/dbraw/zinc/51/96/66/785519666.db2.gz PWUIAPPCKVNRMN-GJZGRUSLSA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@@H]1C ZINC001071702330 785556692 /nfs/dbraw/zinc/55/66/92/785556692.db2.gz XZDVKLUDLUHQKJ-STQMWFEESA-N 1 1 327.388 0.547 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@@H]1C ZINC001071702330 785556694 /nfs/dbraw/zinc/55/66/94/785556694.db2.gz XZDVKLUDLUHQKJ-STQMWFEESA-N 1 1 327.388 0.547 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001072053371 785581657 /nfs/dbraw/zinc/58/16/57/785581657.db2.gz WGJQHHPYWYAHKR-BBRMVZONSA-N 1 1 346.431 0.972 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@H]1C ZINC001071724337 785592170 /nfs/dbraw/zinc/59/21/70/785592170.db2.gz FVIZABKAXQJKBG-PWSUYJOCSA-N 1 1 330.396 0.463 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001072098424 785666872 /nfs/dbraw/zinc/66/68/72/785666872.db2.gz YVYYKYRHUNHOQK-DZGCQCFKSA-N 1 1 332.404 0.195 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC[C@H]1C ZINC001072099200 785667638 /nfs/dbraw/zinc/66/76/38/785667638.db2.gz NMTKIXWXHZOVQK-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001072287112 785982624 /nfs/dbraw/zinc/98/26/24/785982624.db2.gz RXDLVSVXVGLZIV-LSDHHAIUSA-N 1 1 325.453 0.882 20 30 ECEDMO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001072335429 786041000 /nfs/dbraw/zinc/04/10/00/786041000.db2.gz DCDHADKMVYBJFT-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)C4=COCCO4)C3)C2)C1=O ZINC001072437590 786184963 /nfs/dbraw/zinc/18/49/63/786184963.db2.gz MQBZJRPUCYOAPW-AWEZNQCLSA-N 1 1 347.415 0.196 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C[N@H+](C)CCC)C2)cn1 ZINC001072467404 786225239 /nfs/dbraw/zinc/22/52/39/786225239.db2.gz HINZETVDPJHNDV-PBHICJAKSA-N 1 1 342.443 0.981 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC001072479308 786247426 /nfs/dbraw/zinc/24/74/26/786247426.db2.gz VSTJDUKNKXLDCL-WFASDCNBSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cc(C)n[nH]4)C3)C2)C1=O ZINC001072519454 786318826 /nfs/dbraw/zinc/31/88/26/786318826.db2.gz KFDUGUIEUQXSSK-HNNXBMFYSA-N 1 1 343.431 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)c4cc(C)[nH]n4)C3)C2)C1=O ZINC001072519454 786318833 /nfs/dbraw/zinc/31/88/33/786318833.db2.gz KFDUGUIEUQXSSK-HNNXBMFYSA-N 1 1 343.431 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cc(C)[nH]n4)C3)C2)C1=O ZINC001072519454 786318840 /nfs/dbraw/zinc/31/88/40/786318840.db2.gz KFDUGUIEUQXSSK-HNNXBMFYSA-N 1 1 343.431 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)C[C@@H]4CCOC4)C3)C2)C1=O ZINC001072572433 786381375 /nfs/dbraw/zinc/38/13/75/786381375.db2.gz LCYKCZUKYKUDME-HOTGVXAUSA-N 1 1 347.459 0.734 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21 ZINC001074266579 786547241 /nfs/dbraw/zinc/54/72/41/786547241.db2.gz MWWAAKXBOZIDAZ-LSDHHAIUSA-N 1 1 332.404 0.767 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21 ZINC001074266579 786547247 /nfs/dbraw/zinc/54/72/47/786547247.db2.gz MWWAAKXBOZIDAZ-LSDHHAIUSA-N 1 1 332.404 0.767 20 30 ECEDMO C#CCN1CCO[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001074281970 786582839 /nfs/dbraw/zinc/58/28/39/786582839.db2.gz KSMNYVOTBQAONR-CVEARBPZSA-N 1 1 332.404 0.285 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001074288665 786601561 /nfs/dbraw/zinc/60/15/61/786601561.db2.gz GYSQKZPFQUOCPK-HZPDHXFCSA-N 1 1 346.431 0.615 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001074288665 786601568 /nfs/dbraw/zinc/60/15/68/786601568.db2.gz GYSQKZPFQUOCPK-HZPDHXFCSA-N 1 1 346.431 0.615 20 30 ECEDMO C#CCN1CCO[C@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001074297328 786623915 /nfs/dbraw/zinc/62/39/15/786623915.db2.gz MNOKKJPRVVTUHV-ROUUACIJSA-N 1 1 342.443 0.697 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC001074313997 786655771 /nfs/dbraw/zinc/65/57/71/786655771.db2.gz VWJHPUKPBUONRH-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC001074313997 786655779 /nfs/dbraw/zinc/65/57/79/786655779.db2.gz VWJHPUKPBUONRH-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@H]21 ZINC001074315364 786658410 /nfs/dbraw/zinc/65/84/10/786658410.db2.gz UYVTUJULKODOSD-CABCVRRESA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@H]21 ZINC001074315364 786658415 /nfs/dbraw/zinc/65/84/15/786658415.db2.gz UYVTUJULKODOSD-CABCVRRESA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074341742 786713450 /nfs/dbraw/zinc/71/34/50/786713450.db2.gz XADHWVMDXYXNBH-HUUCEWRRSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074341742 786713456 /nfs/dbraw/zinc/71/34/56/786713456.db2.gz XADHWVMDXYXNBH-HUUCEWRRSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3cnccc3=O)C[C@H]21 ZINC001074372106 786784523 /nfs/dbraw/zinc/78/45/23/786784523.db2.gz RQQQDLYTKVVWAR-CVEARBPZSA-N 1 1 346.431 0.511 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCn3cnccc3=O)C[C@H]21 ZINC001074372106 786784531 /nfs/dbraw/zinc/78/45/31/786784531.db2.gz RQQQDLYTKVVWAR-CVEARBPZSA-N 1 1 346.431 0.511 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073630085 786813530 /nfs/dbraw/zinc/81/35/30/786813530.db2.gz MKGMPASFVPWIIG-HUUCEWRRSA-N 1 1 342.461 0.184 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073630085 786813537 /nfs/dbraw/zinc/81/35/37/786813537.db2.gz MKGMPASFVPWIIG-HUUCEWRRSA-N 1 1 342.461 0.184 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2C(F)F)C1 ZINC001073637258 786836981 /nfs/dbraw/zinc/83/69/81/786836981.db2.gz UKIPMLWGIQHNSR-NSHDSACASA-N 1 1 326.347 0.812 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2C(F)F)C1 ZINC001073637258 786836991 /nfs/dbraw/zinc/83/69/91/786836991.db2.gz UKIPMLWGIQHNSR-NSHDSACASA-N 1 1 326.347 0.812 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@@H]21 ZINC001074393192 786837631 /nfs/dbraw/zinc/83/76/31/786837631.db2.gz WWFNPGDQKAHRBN-GJZGRUSLSA-N 1 1 334.420 0.920 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@@H]21 ZINC001074393192 786837636 /nfs/dbraw/zinc/83/76/36/786837636.db2.gz WWFNPGDQKAHRBN-GJZGRUSLSA-N 1 1 334.420 0.920 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001073645656 786861007 /nfs/dbraw/zinc/86/10/07/786861007.db2.gz UMDYACBOULWHAG-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001073645656 786861023 /nfs/dbraw/zinc/86/10/23/786861023.db2.gz UMDYACBOULWHAG-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cncc3ncn(C)c32)C1 ZINC001073645692 786861039 /nfs/dbraw/zinc/86/10/39/786861039.db2.gz VOPOSKOWKQIEEJ-CQSZACIVSA-N 1 1 341.415 0.812 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001073647266 786864884 /nfs/dbraw/zinc/86/48/84/786864884.db2.gz GNLQJRMUQXHYLV-CQSZACIVSA-N 1 1 344.415 0.904 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 ZINC001074410161 786894408 /nfs/dbraw/zinc/89/44/08/786894408.db2.gz MZKQVZFWOCZJAI-LSDHHAIUSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 ZINC001074410161 786894418 /nfs/dbraw/zinc/89/44/18/786894418.db2.gz MZKQVZFWOCZJAI-LSDHHAIUSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001073667653 786918424 /nfs/dbraw/zinc/91/84/24/786918424.db2.gz LKADIKCAFSCBNR-ZDUSSCGKSA-N 1 1 343.387 0.192 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001073667653 786918427 /nfs/dbraw/zinc/91/84/27/786918427.db2.gz LKADIKCAFSCBNR-ZDUSSCGKSA-N 1 1 343.387 0.192 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001073698299 786995635 /nfs/dbraw/zinc/99/56/35/786995635.db2.gz YYSHRXQDIUTKNO-OAHLLOKOSA-N 1 1 342.399 0.797 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001073698299 786995640 /nfs/dbraw/zinc/99/56/40/786995640.db2.gz YYSHRXQDIUTKNO-OAHLLOKOSA-N 1 1 342.399 0.797 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001073712530 787024860 /nfs/dbraw/zinc/02/48/60/787024860.db2.gz FDHARMZQTOFXNT-ZIAGYGMSSA-N 1 1 334.420 0.920 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001073712976 787028633 /nfs/dbraw/zinc/02/86/33/787028633.db2.gz QMRSSLNVFGFUDW-VVLHAWIVSA-N 1 1 336.432 0.268 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CCCC)C1 ZINC001073713052 787029835 /nfs/dbraw/zinc/02/98/35/787029835.db2.gz RWDXJTABNIQJFA-SJORKVTESA-N 1 1 337.464 0.328 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CCCC)C1 ZINC001073713052 787029845 /nfs/dbraw/zinc/02/98/45/787029845.db2.gz RWDXJTABNIQJFA-SJORKVTESA-N 1 1 337.464 0.328 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001073713346 787031733 /nfs/dbraw/zinc/03/17/33/787031733.db2.gz YZUPBESKBODRIG-HUUCEWRRSA-N 1 1 348.472 0.952 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001073713346 787031749 /nfs/dbraw/zinc/03/17/49/787031749.db2.gz YZUPBESKBODRIG-HUUCEWRRSA-N 1 1 348.472 0.952 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001073727377 787071026 /nfs/dbraw/zinc/07/10/26/787071026.db2.gz XEVRQGVCPGPXPT-CQSZACIVSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001073727377 787071033 /nfs/dbraw/zinc/07/10/33/787071033.db2.gz XEVRQGVCPGPXPT-CQSZACIVSA-N 1 1 327.388 0.422 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(=O)NC)CCCO2)c1 ZINC001073763222 787152207 /nfs/dbraw/zinc/15/22/07/787152207.db2.gz YNKKSCNMFLAONH-CZUORRHYSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)CCCO2)c1 ZINC001073763222 787152212 /nfs/dbraw/zinc/15/22/12/787152212.db2.gz YNKKSCNMFLAONH-CZUORRHYSA-N 1 1 344.415 0.018 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073796101 787217895 /nfs/dbraw/zinc/21/78/95/787217895.db2.gz KCOHHKWNZAFFLE-HUUCEWRRSA-N 1 1 342.461 0.042 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073796101 787217902 /nfs/dbraw/zinc/21/79/02/787217902.db2.gz KCOHHKWNZAFFLE-HUUCEWRRSA-N 1 1 342.461 0.042 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001073807565 787238532 /nfs/dbraw/zinc/23/85/32/787238532.db2.gz SVPBJKIZCSUZQF-SNVBAGLBSA-N 1 1 345.325 0.288 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001073807565 787238538 /nfs/dbraw/zinc/23/85/38/787238538.db2.gz SVPBJKIZCSUZQF-SNVBAGLBSA-N 1 1 345.325 0.288 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCF)CCCO2)nn1 ZINC001073807454 787238984 /nfs/dbraw/zinc/23/89/84/787238984.db2.gz PMDOWLMTJRVZPD-CYBMUJFWSA-N 1 1 325.388 0.644 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001074566891 787276883 /nfs/dbraw/zinc/27/68/83/787276883.db2.gz ZPLHHXYUBZYFPL-INIZCTEOSA-N 1 1 349.475 0.744 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nc(-c3ccncn3)no2)[C@@H]1C ZINC001074568614 787282091 /nfs/dbraw/zinc/28/20/91/787282091.db2.gz UUVGRDJNXMJKGY-WOPDTQHZSA-N 1 1 341.375 0.765 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001073832786 787305857 /nfs/dbraw/zinc/30/58/57/787305857.db2.gz SRWSBMPRUDJYFH-OAHLLOKOSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001073832786 787305867 /nfs/dbraw/zinc/30/58/67/787305867.db2.gz SRWSBMPRUDJYFH-OAHLLOKOSA-N 1 1 327.388 0.422 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001074579298 787309186 /nfs/dbraw/zinc/30/91/86/787309186.db2.gz BMXDOSQZDQLDPZ-HZPDHXFCSA-N 1 1 349.475 0.313 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001073837629 787317120 /nfs/dbraw/zinc/31/71/20/787317120.db2.gz RJYOCYZROXKBJG-AWEZNQCLSA-N 1 1 341.415 0.731 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001073837629 787317131 /nfs/dbraw/zinc/31/71/31/787317131.db2.gz RJYOCYZROXKBJG-AWEZNQCLSA-N 1 1 341.415 0.731 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2scc3c2OCCO3)C1 ZINC001073844661 787337392 /nfs/dbraw/zinc/33/73/92/787337392.db2.gz XNTJBIAGWHEXOR-GFCCVEGCSA-N 1 1 336.413 0.973 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2scc3c2OCCO3)C1 ZINC001073844661 787337403 /nfs/dbraw/zinc/33/74/03/787337403.db2.gz XNTJBIAGWHEXOR-GFCCVEGCSA-N 1 1 336.413 0.973 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001073847676 787347624 /nfs/dbraw/zinc/34/76/24/787347624.db2.gz HCMCNEKXINMYCN-GJZGRUSLSA-N 1 1 347.419 0.084 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001073847676 787347632 /nfs/dbraw/zinc/34/76/32/787347632.db2.gz HCMCNEKXINMYCN-GJZGRUSLSA-N 1 1 347.419 0.084 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001073853456 787366298 /nfs/dbraw/zinc/36/62/98/787366298.db2.gz FXVKZTBPJRJFFL-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001073853456 787366312 /nfs/dbraw/zinc/36/63/12/787366312.db2.gz FXVKZTBPJRJFFL-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001073853752 787366905 /nfs/dbraw/zinc/36/69/05/787366905.db2.gz NGDVDUBSQPROSE-LSDHHAIUSA-N 1 1 338.452 0.703 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001073853716 787367184 /nfs/dbraw/zinc/36/71/84/787367184.db2.gz MFQBEOKFWKPLDC-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+]([C@H](CC)C(N)=O)CCCO2)cn1 ZINC001073865352 787399220 /nfs/dbraw/zinc/39/92/20/787399220.db2.gz GJYIAOUOWKRATC-HZPDHXFCSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)CCCO2)cn1 ZINC001073865352 787399227 /nfs/dbraw/zinc/39/92/27/787399227.db2.gz GJYIAOUOWKRATC-HZPDHXFCSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C[C@@H](C)OC)CCCO2)cn1 ZINC001073865642 787400582 /nfs/dbraw/zinc/40/05/82/787400582.db2.gz LEMNTHMVBUVMGX-PBHICJAKSA-N 1 1 331.416 0.919 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C[C@H](C)OC)CCCO2)cn1 ZINC001073865645 787401327 /nfs/dbraw/zinc/40/13/27/787401327.db2.gz LEMNTHMVBUVMGX-YOEHRIQHSA-N 1 1 331.416 0.919 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001073873466 787415198 /nfs/dbraw/zinc/41/51/98/787415198.db2.gz BNPYOVJCZGSXSQ-AWEZNQCLSA-N 1 1 346.431 0.838 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001073874181 787417751 /nfs/dbraw/zinc/41/77/51/787417751.db2.gz VQJODULXHKFOOB-MRXNPFEDSA-N 1 1 336.436 0.926 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001073876665 787420280 /nfs/dbraw/zinc/42/02/80/787420280.db2.gz JAQYGHOPOTXZJP-CQSZACIVSA-N 1 1 342.403 0.195 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001073876665 787420282 /nfs/dbraw/zinc/42/02/82/787420282.db2.gz JAQYGHOPOTXZJP-CQSZACIVSA-N 1 1 342.403 0.195 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001073880610 787425961 /nfs/dbraw/zinc/42/59/61/787425961.db2.gz OJWZMCAXHSXWKQ-CYBMUJFWSA-N 1 1 347.419 0.362 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001073883466 787429795 /nfs/dbraw/zinc/42/97/95/787429795.db2.gz OSBFHLRINVBROE-INIZCTEOSA-N 1 1 344.415 0.309 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001073883466 787429801 /nfs/dbraw/zinc/42/98/01/787429801.db2.gz OSBFHLRINVBROE-INIZCTEOSA-N 1 1 344.415 0.309 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001073886059 787436143 /nfs/dbraw/zinc/43/61/43/787436143.db2.gz GECALOMTMGQWIF-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001073886059 787436147 /nfs/dbraw/zinc/43/61/47/787436147.db2.gz GECALOMTMGQWIF-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001073886655 787438728 /nfs/dbraw/zinc/43/87/28/787438728.db2.gz UOXCTLDOMYIVFA-OAHLLOKOSA-N 1 1 341.415 0.905 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001073886655 787438735 /nfs/dbraw/zinc/43/87/35/787438735.db2.gz UOXCTLDOMYIVFA-OAHLLOKOSA-N 1 1 341.415 0.905 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C(C)C)CC1 ZINC001074627418 787442225 /nfs/dbraw/zinc/44/22/25/787442225.db2.gz MKUJCIIQKMQBNG-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C(C)C)CC1 ZINC001074627418 787442229 /nfs/dbraw/zinc/44/22/29/787442229.db2.gz MKUJCIIQKMQBNG-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001073890857 787451210 /nfs/dbraw/zinc/45/12/10/787451210.db2.gz IWYPFEBXMKCAHG-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001074634541 787462203 /nfs/dbraw/zinc/46/22/03/787462203.db2.gz FIADVRZUZNWMRL-UONOGXRCSA-N 1 1 336.436 0.100 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001073895939 787463739 /nfs/dbraw/zinc/46/37/39/787463739.db2.gz GMPNXGYBFKKLBT-GOEBONIOSA-N 1 1 332.375 0.970 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001073895939 787463743 /nfs/dbraw/zinc/46/37/43/787463743.db2.gz GMPNXGYBFKKLBT-GOEBONIOSA-N 1 1 332.375 0.970 20 30 ECEDMO C=C(Cl)CN1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001073896420 787465979 /nfs/dbraw/zinc/46/59/79/787465979.db2.gz RTNHAGNIFKTWHN-CABCVRRESA-N 1 1 345.871 0.667 20 30 ECEDMO C=C(Cl)CN1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896420 787465984 /nfs/dbraw/zinc/46/59/84/787465984.db2.gz RTNHAGNIFKTWHN-CABCVRRESA-N 1 1 345.871 0.667 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001073898814 787473103 /nfs/dbraw/zinc/47/31/03/787473103.db2.gz COALIGFHWCBANT-CVEARBPZSA-N 1 1 347.463 0.932 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001073902254 787484437 /nfs/dbraw/zinc/48/44/37/787484437.db2.gz ZMQRRSFWTMKJOU-KBPBESRZSA-N 1 1 347.381 0.853 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001073902254 787484443 /nfs/dbraw/zinc/48/44/43/787484443.db2.gz ZMQRRSFWTMKJOU-KBPBESRZSA-N 1 1 347.381 0.853 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001073906410 787491966 /nfs/dbraw/zinc/49/19/66/787491966.db2.gz WXSWPKQIQRMULI-CYBMUJFWSA-N 1 1 330.388 0.025 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001073906410 787491974 /nfs/dbraw/zinc/49/19/74/787491974.db2.gz WXSWPKQIQRMULI-CYBMUJFWSA-N 1 1 330.388 0.025 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001073914751 787519941 /nfs/dbraw/zinc/51/99/41/787519941.db2.gz BQJCKKZRUBFROO-CQSZACIVSA-N 1 1 330.388 0.025 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001073918512 787524890 /nfs/dbraw/zinc/52/48/90/787524890.db2.gz JAVQCPLGOFEKEL-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001074707246 787649437 /nfs/dbraw/zinc/64/94/37/787649437.db2.gz XHXPTBCILTVIJP-CYBMUJFWSA-N 1 1 336.436 0.100 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001074731487 787722813 /nfs/dbraw/zinc/72/28/13/787722813.db2.gz SLHQZYDRJAQRRW-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001074891806 788498324 /nfs/dbraw/zinc/49/83/24/788498324.db2.gz LFZZSMZCBNPZEM-HIFRSBDPSA-N 1 1 334.420 0.890 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C)cn1 ZINC001072742551 788692031 /nfs/dbraw/zinc/69/20/31/788692031.db2.gz RWSVPRDRBQNUQJ-WMLDXEAASA-N 1 1 342.443 0.981 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)Cn4nccn4)C3)C2)cc1 ZINC001072783206 788789163 /nfs/dbraw/zinc/78/91/63/788789163.db2.gz ZQTXHZTTZVUHJA-UHFFFAOYSA-N 1 1 336.399 0.884 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001072797097 788816503 /nfs/dbraw/zinc/81/65/03/788816503.db2.gz LPQUNTLTAPHBEL-OAHLLOKOSA-N 1 1 333.432 0.039 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C2)C1 ZINC001072807121 788843392 /nfs/dbraw/zinc/84/33/92/788843392.db2.gz KAMMABNVCKTSMH-UHFFFAOYSA-N 1 1 325.372 0.455 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cc(=O)[nH]c4ncn(C)c43)C2)C1 ZINC001072808536 788846811 /nfs/dbraw/zinc/84/68/11/788846811.db2.gz GLUANTJHJLIKDH-UHFFFAOYSA-N 1 1 339.399 0.845 20 30 ECEDMO N#CCN1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C2)C1 ZINC001072812287 788861722 /nfs/dbraw/zinc/86/17/22/788861722.db2.gz ZNXONGHZNWAHOZ-MRXNPFEDSA-N 1 1 332.448 0.688 20 30 ECEDMO C=CC[N@@H+]1CCC2(CN(C(=O)c3ccc(S(N)(=O)=O)o3)C2)C1 ZINC001072894650 789055071 /nfs/dbraw/zinc/05/50/71/789055071.db2.gz BCSGEDANFKNRQD-UHFFFAOYSA-N 1 1 325.390 0.261 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@@H+](CCn2cncn2)C3)c1 ZINC001072968518 789180756 /nfs/dbraw/zinc/18/07/56/789180756.db2.gz PJWHEYAVUSKVDE-UHFFFAOYSA-N 1 1 336.399 0.503 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC001072978164 789201892 /nfs/dbraw/zinc/20/18/92/789201892.db2.gz GLXMUMIRSYJTOL-LSDHHAIUSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001072985337 789224756 /nfs/dbraw/zinc/22/47/56/789224756.db2.gz IFYJQUFGYXZCDI-KBXCAEBGSA-N 1 1 337.464 0.905 20 30 ECEDMO CC#CCN1CCC2(CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001073050032 789347101 /nfs/dbraw/zinc/34/71/01/789347101.db2.gz GSNHQSXBNJHFQP-UHFFFAOYSA-N 1 1 329.448 0.616 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)NC)C2 ZINC001073052199 789350768 /nfs/dbraw/zinc/35/07/68/789350768.db2.gz IFEUHKBMPRMJTN-KKUMJFAQSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CCOCCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001073063087 789373110 /nfs/dbraw/zinc/37/31/10/789373110.db2.gz FSSARNCTAKIXAS-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)C1 ZINC001073065352 789377518 /nfs/dbraw/zinc/37/75/18/789377518.db2.gz IEJOGJCZCCIAGZ-KBPBESRZSA-N 1 1 336.436 0.364 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)C1 ZINC001073065352 789377524 /nfs/dbraw/zinc/37/75/24/789377524.db2.gz IEJOGJCZCCIAGZ-KBPBESRZSA-N 1 1 336.436 0.364 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)CC1 ZINC001075456793 789379499 /nfs/dbraw/zinc/37/94/99/789379499.db2.gz BPEPYSKUOLQQPB-GOEBONIOSA-N 1 1 332.448 0.642 20 30 ECEDMO C=CCC[N@H+]1CCC2(CN(C(=O)Cn3nc4n(c3=O)CCCC4)C2)C1 ZINC001073109159 789454900 /nfs/dbraw/zinc/45/49/00/789454900.db2.gz UWAJIVJOLIQXDE-UHFFFAOYSA-N 1 1 345.447 0.492 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCSC ZINC001075538865 789473000 /nfs/dbraw/zinc/47/30/00/789473000.db2.gz MDEYUVHJIYMUGS-KBPBESRZSA-N 1 1 325.478 0.848 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCSC ZINC001075538865 789473007 /nfs/dbraw/zinc/47/30/07/789473007.db2.gz MDEYUVHJIYMUGS-KBPBESRZSA-N 1 1 325.478 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccc[nH]4)[C@@H]3C2)C1=O ZINC001075543391 789474100 /nfs/dbraw/zinc/47/41/00/789474100.db2.gz FUCIEMLBYLCUNY-CWRNSKLLSA-N 1 1 328.416 0.948 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2N(c2ccc(C#N)nn2)CC3)C1 ZINC001069266274 789717928 /nfs/dbraw/zinc/71/79/28/789717928.db2.gz JTFFPHSYVOJXAK-JOQOYGCGSA-N 1 1 340.431 0.918 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cccc(-n4cnnn4)c3)C2)C1 ZINC001073418080 789810731 /nfs/dbraw/zinc/81/07/31/789810731.db2.gz LSTBAJSGJYAPRW-UHFFFAOYSA-N 1 1 336.399 0.834 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001073425390 789821365 /nfs/dbraw/zinc/82/13/65/789821365.db2.gz RJNNZOUSAHQMDN-UHFFFAOYSA-N 1 1 338.795 0.386 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC001073425390 789821371 /nfs/dbraw/zinc/82/13/71/789821371.db2.gz RJNNZOUSAHQMDN-UHFFFAOYSA-N 1 1 338.795 0.386 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3cncc(C#N)n3)C(C)(C)C2)C1 ZINC001069545316 789890158 /nfs/dbraw/zinc/89/01/58/789890158.db2.gz ILPKREGPAOMOIU-KGLIPLIRSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3cncc(C#N)n3)C(C)(C)C2)C1 ZINC001069545316 789890165 /nfs/dbraw/zinc/89/01/65/789890165.db2.gz ILPKREGPAOMOIU-KGLIPLIRSA-N 1 1 344.419 0.328 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4nonc4C)C3)C2)C1=O ZINC001073487796 789893244 /nfs/dbraw/zinc/89/32/44/789893244.db2.gz KHKBHSQLUYUIDQ-CYBMUJFWSA-N 1 1 345.403 0.313 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4nonc4C)C3)C2)C1=O ZINC001073487797 789893500 /nfs/dbraw/zinc/89/35/00/789893500.db2.gz KHKBHSQLUYUIDQ-ZDUSSCGKSA-N 1 1 345.403 0.313 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H](Nc3ccnc(C#N)n3)C(C)(C)C2)C1 ZINC001069578366 789914898 /nfs/dbraw/zinc/91/48/98/789914898.db2.gz UQVBOBUIAQCTMJ-KBPBESRZSA-N 1 1 342.447 0.761 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 ZINC001069862522 790116287 /nfs/dbraw/zinc/11/62/87/790116287.db2.gz SEYUSKVDTRYMOA-OAHLLOKOSA-N 1 1 330.436 0.713 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)c3nnn(C)n3)c2C1 ZINC001069870826 790132370 /nfs/dbraw/zinc/13/23/70/790132370.db2.gz VMZJZFDIYJSRLR-UHFFFAOYSA-N 1 1 330.396 0.118 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)c3nnn(C)n3)c2C1 ZINC001069870826 790132375 /nfs/dbraw/zinc/13/23/75/790132375.db2.gz VMZJZFDIYJSRLR-UHFFFAOYSA-N 1 1 330.396 0.118 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)c3c[nH]c(=O)cn3)c2C1 ZINC001069871249 790132628 /nfs/dbraw/zinc/13/26/28/790132628.db2.gz UTACUKZJODYBPV-UHFFFAOYSA-N 1 1 342.403 0.678 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)c3c[nH]c(=O)cn3)c2C1 ZINC001069871249 790132630 /nfs/dbraw/zinc/13/26/30/790132630.db2.gz UTACUKZJODYBPV-UHFFFAOYSA-N 1 1 342.403 0.678 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069908185 790176892 /nfs/dbraw/zinc/17/68/92/790176892.db2.gz KYKRSHCHTZGFHE-KGLIPLIRSA-N 1 1 326.360 0.057 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001069908185 790176893 /nfs/dbraw/zinc/17/68/93/790176893.db2.gz KYKRSHCHTZGFHE-KGLIPLIRSA-N 1 1 326.360 0.057 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)[nH]1 ZINC001069911244 790179893 /nfs/dbraw/zinc/17/98/93/790179893.db2.gz DXPLMAPXHCLYOD-CABCVRRESA-N 1 1 325.376 0.543 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](n2ccnn2)C1 ZINC001069920484 790191849 /nfs/dbraw/zinc/19/18/49/790191849.db2.gz PJNVBEKNKSPDCM-OLZOCXBDSA-N 1 1 330.396 0.028 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069927172 790198620 /nfs/dbraw/zinc/19/86/20/790198620.db2.gz MXRPJFKBFFHNJP-MAZHCROVSA-N 1 1 341.419 0.649 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069927172 790198624 /nfs/dbraw/zinc/19/86/24/790198624.db2.gz MXRPJFKBFFHNJP-MAZHCROVSA-N 1 1 341.419 0.649 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069928824 790200919 /nfs/dbraw/zinc/20/09/19/790200919.db2.gz KYUXTLCDSKVAMA-TUVASFSCSA-N 1 1 346.435 0.110 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069928824 790200925 /nfs/dbraw/zinc/20/09/25/790200925.db2.gz KYUXTLCDSKVAMA-TUVASFSCSA-N 1 1 346.435 0.110 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069939122 790213602 /nfs/dbraw/zinc/21/36/02/790213602.db2.gz YYJZLXYBBQHVCC-SJORKVTESA-N 1 1 338.415 0.969 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069939122 790213605 /nfs/dbraw/zinc/21/36/05/790213605.db2.gz YYJZLXYBBQHVCC-SJORKVTESA-N 1 1 338.415 0.969 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069941948 790218007 /nfs/dbraw/zinc/21/80/07/790218007.db2.gz GCEYLWPCXXZMJP-OAGGEKHMSA-N 1 1 330.436 0.127 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069952387 790233107 /nfs/dbraw/zinc/23/31/07/790233107.db2.gz IKGHTHPQIUTZFB-KFWWJZLASA-N 1 1 346.435 0.255 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2coc(OCC)n2)[C@@H](n2ccnn2)C1 ZINC001069969311 790257590 /nfs/dbraw/zinc/25/75/90/790257590.db2.gz NMTHDVVXEZCTLZ-OCCSQVGLSA-N 1 1 346.391 0.896 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001068833489 791223776 /nfs/dbraw/zinc/22/37/76/791223776.db2.gz OMGUGNAXXWPLAL-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068859541 791281339 /nfs/dbraw/zinc/28/13/39/791281339.db2.gz STKLMATZODLNSV-GJZGRUSLSA-N 1 1 333.432 0.084 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2 ZINC001068862707 791292247 /nfs/dbraw/zinc/29/22/47/791292247.db2.gz GWSAOLWTULUZLX-ZBFHGGJFSA-N 1 1 345.443 0.370 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001068873288 791317419 /nfs/dbraw/zinc/31/74/19/791317419.db2.gz BNCCWZGNJPCCJT-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2COC3(CN(C(=O)C#CC(C)(C)C)C3)C2)C1 ZINC001068874364 791321578 /nfs/dbraw/zinc/32/15/78/791321578.db2.gz OFZSEZKHLCHOIC-HUUCEWRRSA-N 1 1 347.459 0.474 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)[C@@H]1C ZINC001068925924 791436551 /nfs/dbraw/zinc/43/65/51/791436551.db2.gz HOXNCWUDQBBBJH-GXTWGEPZSA-N 1 1 325.376 0.955 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H](C)C#N)CO2 ZINC001069007483 791583751 /nfs/dbraw/zinc/58/37/51/791583751.db2.gz GKMOMMMTCKRFLF-STQMWFEESA-N 1 1 336.436 0.362 20 30 ECEDMO C[C@H]1C[C@@H](Nc2ccncc2C#N)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119914 791721596 /nfs/dbraw/zinc/72/15/96/791721596.db2.gz ZHISPWULBIGMIR-GOEBONIOSA-N 1 1 343.431 0.499 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C[C@H]1C ZINC001069175476 791759852 /nfs/dbraw/zinc/75/98/52/791759852.db2.gz JNCGHGHZGQBULC-YPMHNXCESA-N 1 1 325.376 0.377 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](CNc2nccnc2C#N)C1 ZINC001066675256 791966098 /nfs/dbraw/zinc/96/60/98/791966098.db2.gz FWFMVKKQLRFWJC-UONOGXRCSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](CNc2ccc(C#N)nn2)C1 ZINC001066675553 791969297 /nfs/dbraw/zinc/96/92/97/791969297.db2.gz MZTXUPFOTCDDOE-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO N#Cc1nccc(N2CC[NH+]([C@@H]3CCN(C(=O)C4CCC4)C3)CC2)n1 ZINC001066694642 792010154 /nfs/dbraw/zinc/01/01/54/792010154.db2.gz RHQNQHSGRKEVFZ-OAHLLOKOSA-N 1 1 340.431 0.871 20 30 ECEDMO COCC(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066698503 792018925 /nfs/dbraw/zinc/01/89/25/792018925.db2.gz LUOQPMYKEZCWNH-OAHLLOKOSA-N 1 1 329.404 0.323 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)CC1 ZINC001066729978 792055910 /nfs/dbraw/zinc/05/59/10/792055910.db2.gz QBHLYPVYOSIPDX-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066750412 792097096 /nfs/dbraw/zinc/09/70/96/792097096.db2.gz PUTYURRHWFPPHP-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ccnnc1 ZINC001067709416 792164932 /nfs/dbraw/zinc/16/49/32/792164932.db2.gz UNGQJKGZHSFRMP-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ccnnc1 ZINC001067709416 792164937 /nfs/dbraw/zinc/16/49/37/792164937.db2.gz UNGQJKGZHSFRMP-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1ccnc(C#N)n1 ZINC001067742649 792211634 /nfs/dbraw/zinc/21/16/34/792211634.db2.gz NQJBMYYUQQQQON-KGLIPLIRSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1cncc(C#N)n1 ZINC001067742961 792212614 /nfs/dbraw/zinc/21/26/14/792212614.db2.gz RZNRIZZPCUSYSA-GJZGRUSLSA-N 1 1 328.420 0.870 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(Nc2cnc(C#N)cn2)C1 ZINC001066891175 792293432 /nfs/dbraw/zinc/29/34/32/792293432.db2.gz WLQQWQVHVLDZBL-RHSMWYFYSA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(Nc3nccnc3C#N)C2)C1 ZINC001066906399 792340436 /nfs/dbraw/zinc/34/04/36/792340436.db2.gz RZJKOBSAJJAJFT-DYVFJYSZSA-N 1 1 344.419 0.065 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(Nc3nccnc3C#N)C2)C1 ZINC001066906398 792341523 /nfs/dbraw/zinc/34/15/23/792341523.db2.gz RZJKOBSAJJAJFT-CXAGYDPISA-N 1 1 344.419 0.065 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccc(C#N)cn3)C2)C1 ZINC001067838654 792352535 /nfs/dbraw/zinc/35/25/35/792352535.db2.gz SKSRBPFDVRNEEM-NRXISQOPSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CC(CNc3ccc(C#N)cn3)C2)C1 ZINC001067838654 792352548 /nfs/dbraw/zinc/35/25/48/792352548.db2.gz SKSRBPFDVRNEEM-NRXISQOPSA-N 1 1 329.404 0.591 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccncc3C#N)C2)C1 ZINC001067852737 792372941 /nfs/dbraw/zinc/37/29/41/792372941.db2.gz NTQXWDCLGPJJGM-PUJMQQBBSA-N 1 1 343.431 0.403 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ccncc3C#N)C2)C1 ZINC001067852737 792372949 /nfs/dbraw/zinc/37/29/49/792372949.db2.gz NTQXWDCLGPJJGM-PUJMQQBBSA-N 1 1 343.431 0.403 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067878692 792412403 /nfs/dbraw/zinc/41/24/03/792412403.db2.gz IRZYMPGUGDPEQS-RUXDESIVSA-N 1 1 328.420 0.561 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CC(CNc3ccc(C#N)nn3)C2)C1 ZINC001067888998 792427067 /nfs/dbraw/zinc/42/70/67/792427067.db2.gz KVSSMONGZAWMIY-OPFPJEHXSA-N 1 1 328.420 0.997 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001067000875 792543468 /nfs/dbraw/zinc/54/34/68/792543468.db2.gz CYXMYZIFQXAJBW-OAHLLOKOSA-N 1 1 325.453 0.838 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1c[nH]c(C#N)c1 ZINC001067009344 792565850 /nfs/dbraw/zinc/56/58/50/792565850.db2.gz QIWDMMMJFQCRGE-OAHLLOKOSA-N 1 1 331.420 0.901 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001068099492 792669352 /nfs/dbraw/zinc/66/93/52/792669352.db2.gz UMVJWFRJAMUEAT-KGLIPLIRSA-N 1 1 328.420 0.773 20 30 ECEDMO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001067080126 792676485 /nfs/dbraw/zinc/67/64/85/792676485.db2.gz KEYXHDPKJUCTLG-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001067080126 792676493 /nfs/dbraw/zinc/67/64/93/792676493.db2.gz KEYXHDPKJUCTLG-HNNXBMFYSA-N 1 1 325.453 0.980 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC001068113906 792694439 /nfs/dbraw/zinc/69/44/39/792694439.db2.gz UWSOUIQSJWAOJF-HIFRSBDPSA-N 1 1 342.447 0.939 20 30 ECEDMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1ncccc1C#N ZINC001067118994 792718216 /nfs/dbraw/zinc/71/82/16/792718216.db2.gz SDJGKEJZPPSBPX-HOCLYGCPSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)C1 ZINC001068174517 792785261 /nfs/dbraw/zinc/78/52/61/792785261.db2.gz BYPNPAUWMXFRKP-XDQVBPFNSA-N 1 1 326.404 0.098 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3ccc(C#N)nn3)CC2)C1 ZINC001067250764 792886889 /nfs/dbraw/zinc/88/68/89/792886889.db2.gz SOFYNOGFFYNGGC-AWEZNQCLSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3ccc(C#N)nn3)CC2)C1 ZINC001067250764 792886896 /nfs/dbraw/zinc/88/68/96/792886896.db2.gz SOFYNOGFFYNGGC-AWEZNQCLSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@@](C)(O)C=C ZINC001067292949 792946711 /nfs/dbraw/zinc/94/67/11/792946711.db2.gz CYEUNVVIGKQZQE-LPHOPBHVSA-N 1 1 349.475 0.718 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@@](C)(O)C=C ZINC001067292949 792946718 /nfs/dbraw/zinc/94/67/18/792946718.db2.gz CYEUNVVIGKQZQE-LPHOPBHVSA-N 1 1 349.475 0.718 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001067425461 793136623 /nfs/dbraw/zinc/13/66/23/793136623.db2.gz OQNMYFLDVLRMLN-IBGZPJMESA-N 1 1 349.475 0.819 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001067427339 793141144 /nfs/dbraw/zinc/14/11/44/793141144.db2.gz UVFGXHVXIHPUBS-CVEARBPZSA-N 1 1 337.464 0.673 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC001068410619 793255356 /nfs/dbraw/zinc/25/53/56/793255356.db2.gz WJHHRDLIOXYTQK-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO C=C(Br)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279673354 837395184 /nfs/dbraw/zinc/39/51/84/837395184.db2.gz ULGRIBLSFKYEHD-GFCCVEGCSA-N 1 1 334.258 0.400 20 30 ECEDMO C=C(Br)CNCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279673354 837395199 /nfs/dbraw/zinc/39/51/99/837395199.db2.gz ULGRIBLSFKYEHD-GFCCVEGCSA-N 1 1 334.258 0.400 20 30 ECEDMO C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC001267440311 837419205 /nfs/dbraw/zinc/41/92/05/837419205.db2.gz OZCHGATYZZSLOX-UHFFFAOYSA-N 1 1 329.404 0.835 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001267459831 837446969 /nfs/dbraw/zinc/44/69/69/837446969.db2.gz NTNWMNPFGZYTGJ-UONOGXRCSA-N 1 1 331.482 0.813 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC([C@@H](C)[NH2+]CC(N)=O)CC2)CC1 ZINC001267494318 837563460 /nfs/dbraw/zinc/56/34/60/837563460.db2.gz RMERXGKWHLTBAV-CQSZACIVSA-N 1 1 334.464 0.034 20 30 ECEDMO C=CCOCC(=O)NCC[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001267507647 837596669 /nfs/dbraw/zinc/59/66/69/837596669.db2.gz DYKMPURJQSPSBW-HUUCEWRRSA-N 1 1 333.436 0.796 20 30 ECEDMO C[N@@H+](Cc1ccc(S(N)(=O)=O)o1)C[C@H](O)c1cccc(C#N)c1 ZINC001414166537 837610167 /nfs/dbraw/zinc/61/01/67/837610167.db2.gz VYDZVMZJWMWTOY-AWEZNQCLSA-N 1 1 335.385 0.964 20 30 ECEDMO C[N@H+](Cc1ccc(S(N)(=O)=O)o1)C[C@H](O)c1cccc(C#N)c1 ZINC001414166537 837610174 /nfs/dbraw/zinc/61/01/74/837610174.db2.gz VYDZVMZJWMWTOY-AWEZNQCLSA-N 1 1 335.385 0.964 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001267522826 837678291 /nfs/dbraw/zinc/67/82/91/837678291.db2.gz CYRDEXADRAKDQM-ZDUSSCGKSA-N 1 1 329.404 0.630 20 30 ECEDMO Cc1nscc1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267523705 837681686 /nfs/dbraw/zinc/68/16/86/837681686.db2.gz LBPHQQZWSXWAJP-LBPRGKRZSA-N 1 1 335.433 0.533 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001267534206 837710563 /nfs/dbraw/zinc/71/05/63/837710563.db2.gz LMDHVTMKGJAOFC-KFWWJZLASA-N 1 1 348.447 0.816 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC001267534206 837710569 /nfs/dbraw/zinc/71/05/69/837710569.db2.gz LMDHVTMKGJAOFC-KFWWJZLASA-N 1 1 348.447 0.816 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cccc(=O)[nH]2)C1 ZINC001267539772 837724657 /nfs/dbraw/zinc/72/46/57/837724657.db2.gz JTERUKWTWLFQEE-AWEZNQCLSA-N 1 1 344.415 0.463 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cccc(=O)[nH]2)C1 ZINC001267539772 837724659 /nfs/dbraw/zinc/72/46/59/837724659.db2.gz JTERUKWTWLFQEE-AWEZNQCLSA-N 1 1 344.415 0.463 20 30 ECEDMO C#CCCCC(=O)N(CCC)[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001267541176 837726522 /nfs/dbraw/zinc/72/65/22/837726522.db2.gz WWPKAQAXDCOZFG-KRWDZBQOSA-N 1 1 349.475 0.962 20 30 ECEDMO C#CCCCC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001267541176 837726531 /nfs/dbraw/zinc/72/65/31/837726531.db2.gz WWPKAQAXDCOZFG-KRWDZBQOSA-N 1 1 349.475 0.962 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267548193 837744609 /nfs/dbraw/zinc/74/46/09/837744609.db2.gz AAFFSXZCBWXHIA-KGLIPLIRSA-N 1 1 336.436 0.864 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)CCn2cccc2)C1 ZINC001267548181 837744940 /nfs/dbraw/zinc/74/49/40/837744940.db2.gz ZWEYIBFHERJWPQ-QGZVFWFLSA-N 1 1 344.459 0.941 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCn2cccc2)C1 ZINC001267548181 837744945 /nfs/dbraw/zinc/74/49/45/837744945.db2.gz ZWEYIBFHERJWPQ-QGZVFWFLSA-N 1 1 344.459 0.941 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001267557037 837764142 /nfs/dbraw/zinc/76/41/42/837764142.db2.gz XJNASGLTXZNXQU-GJZGRUSLSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C2CCC(O)CC2)C1 ZINC001267556619 837764274 /nfs/dbraw/zinc/76/42/74/837764274.db2.gz RYRMJCYQCZYHPQ-QQFBHYJXSA-N 1 1 335.448 0.115 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)C#CC2CC2)C1 ZINC001267556842 837764296 /nfs/dbraw/zinc/76/42/96/837764296.db2.gz VGWSEXJCCVIYBP-HNNXBMFYSA-N 1 1 346.431 0.240 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)Cc2cn(C)nc2C)C1 ZINC001267557300 837766263 /nfs/dbraw/zinc/76/62/63/837766263.db2.gz BSWAEEGXAHVGDA-INIZCTEOSA-N 1 1 332.448 0.749 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CCNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267560076 837769164 /nfs/dbraw/zinc/76/91/64/837769164.db2.gz CIPDKJMXGCWLHE-AWEZNQCLSA-N 1 1 339.403 0.522 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001267559630 837769618 /nfs/dbraw/zinc/76/96/18/837769618.db2.gz YQTUGEWTTWAWIV-CYBMUJFWSA-N 1 1 342.403 0.445 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccnnc2C)C1 ZINC001267560719 837771112 /nfs/dbraw/zinc/77/11/12/837771112.db2.gz MCONAFRANZMNNY-CABCVRRESA-N 1 1 343.431 0.365 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H]2CC[N@H+](C[C@@H](O)COC)C2)nc1 ZINC001267567673 837787372 /nfs/dbraw/zinc/78/73/72/837787372.db2.gz PYAAQNRRKMFGPS-JKSUJKDBSA-N 1 1 331.416 0.512 20 30 ECEDMO CCC[C@@H](NC(N)=O)C(=O)NCC[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267568503 837790496 /nfs/dbraw/zinc/79/04/96/837790496.db2.gz WZECNUGWHYJCKK-HUUCEWRRSA-N 1 1 338.452 0.301 20 30 ECEDMO CCn1nc(C(=O)NCC[C@@H]2CC[N@@H+](CC#CCOC)C2)ccc1=O ZINC001267569239 837793481 /nfs/dbraw/zinc/79/34/81/837793481.db2.gz RJVMTMFOJMYJEG-OAHLLOKOSA-N 1 1 346.431 0.355 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CCNC(=O)Cc2nc3ncccn3n2)C1 ZINC001267572288 837810074 /nfs/dbraw/zinc/81/00/74/837810074.db2.gz YGUFRGDFKMOUGJ-CQSZACIVSA-N 1 1 326.404 0.518 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)CCN2CCCC2=O)CC1 ZINC001267576155 837830092 /nfs/dbraw/zinc/83/00/92/837830092.db2.gz STNMNZQCUHWXFU-UHFFFAOYSA-N 1 1 334.464 0.098 20 30 ECEDMO CC#CCN1CC[NH+](CCN(C)C(=O)CCN2CCCC2=O)CC1 ZINC001267576155 837830105 /nfs/dbraw/zinc/83/01/05/837830105.db2.gz STNMNZQCUHWXFU-UHFFFAOYSA-N 1 1 334.464 0.098 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001267577075 837833144 /nfs/dbraw/zinc/83/31/44/837833144.db2.gz FXQWPOXOSYGXFS-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001267577088 837834250 /nfs/dbraw/zinc/83/42/50/837834250.db2.gz GBHDAOHDZGCGLV-CHWSQXEVSA-N 1 1 347.419 0.267 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)[C@]2(C)CCC(=O)NC2)CC1 ZINC001266271281 835592706 /nfs/dbraw/zinc/59/27/06/835592706.db2.gz KHQCQHNHWROOHC-GOSISDBHSA-N 1 1 334.464 0.050 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(Cc2cnon2)CC1 ZINC001266273366 835595314 /nfs/dbraw/zinc/59/53/14/835595314.db2.gz JQJIIXNJXACQHJ-CVEARBPZSA-N 1 1 349.435 0.285 20 30 ECEDMO Cc1c(C(=O)NCCC[NH+]2CCN(CC#N)CC2)nnn1C(C)C ZINC001266275795 835599087 /nfs/dbraw/zinc/59/90/87/835599087.db2.gz MNMMZSORHRJWTJ-UHFFFAOYSA-N 1 1 333.440 0.429 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)Cc2ccc(F)cn2)C1=O ZINC001266288671 835632520 /nfs/dbraw/zinc/63/25/20/835632520.db2.gz LRCVWOUYQZELFK-OAHLLOKOSA-N 1 1 334.395 0.598 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)Cc2ccc(F)cn2)C1=O ZINC001266288671 835632523 /nfs/dbraw/zinc/63/25/23/835632523.db2.gz LRCVWOUYQZELFK-OAHLLOKOSA-N 1 1 334.395 0.598 20 30 ECEDMO C=C(C)CC[NH+]1CCN(CCNC(=O)CS(=O)(=O)CC)CC1 ZINC001266296662 835644192 /nfs/dbraw/zinc/64/41/92/835644192.db2.gz CJVQMRHUZXYSGW-UHFFFAOYSA-N 1 1 331.482 0.121 20 30 ECEDMO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](C[C@H](O)COCC(F)(F)F)C1 ZINC001266320139 835690487 /nfs/dbraw/zinc/69/04/87/835690487.db2.gz ZQGNQUASWACEFB-OLZOCXBDSA-N 1 1 334.338 0.530 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 ZINC001266320518 835692047 /nfs/dbraw/zinc/69/20/47/835692047.db2.gz BUCUGFSRPPLFSJ-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 ZINC001266320518 835692051 /nfs/dbraw/zinc/69/20/51/835692051.db2.gz BUCUGFSRPPLFSJ-HOCLYGCPSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001266320885 835692792 /nfs/dbraw/zinc/69/27/92/835692792.db2.gz IBGOHUPVPKWLAI-OLZOCXBDSA-N 1 1 331.420 0.324 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001266320885 835692795 /nfs/dbraw/zinc/69/27/95/835692795.db2.gz IBGOHUPVPKWLAI-OLZOCXBDSA-N 1 1 331.420 0.324 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001266327690 835707607 /nfs/dbraw/zinc/70/76/07/835707607.db2.gz JYSSZAJKSWYJFU-BBRMVZONSA-N 1 1 345.447 0.642 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001266327690 835707610 /nfs/dbraw/zinc/70/76/10/835707610.db2.gz JYSSZAJKSWYJFU-BBRMVZONSA-N 1 1 345.447 0.642 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001266343054 835730662 /nfs/dbraw/zinc/73/06/62/835730662.db2.gz XNVIDSCICBZPSU-KGLIPLIRSA-N 1 1 334.424 0.019 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001266344811 835734153 /nfs/dbraw/zinc/73/41/53/835734153.db2.gz MFLYFDXPCWWURU-KBXCAEBGSA-N 1 1 339.439 0.730 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001266344811 835734161 /nfs/dbraw/zinc/73/41/61/835734161.db2.gz MFLYFDXPCWWURU-KBXCAEBGSA-N 1 1 339.439 0.730 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345341 835735486 /nfs/dbraw/zinc/73/54/86/835735486.db2.gz RRLJOYZEBIKRKI-DZGCQCFKSA-N 1 1 345.447 0.642 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345341 835735492 /nfs/dbraw/zinc/73/54/92/835735492.db2.gz RRLJOYZEBIKRKI-DZGCQCFKSA-N 1 1 345.447 0.642 20 30 ECEDMO CNC(=O)Nc1cccc(C(=O)NCC[N@@H+](C)CC#CCOC)c1 ZINC001266346739 835736680 /nfs/dbraw/zinc/73/66/80/835736680.db2.gz BBPFDESIKAHFFP-UHFFFAOYSA-N 1 1 332.404 0.749 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1c[nH]nc1C(C)(C)C ZINC001266348122 835741744 /nfs/dbraw/zinc/74/17/44/835741744.db2.gz WXJDRVNKGGTRLP-LBPRGKRZSA-N 1 1 333.436 0.507 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1c[nH]nc1C(C)(C)C ZINC001266348122 835741750 /nfs/dbraw/zinc/74/17/50/835741750.db2.gz WXJDRVNKGGTRLP-LBPRGKRZSA-N 1 1 333.436 0.507 20 30 ECEDMO C#CCNC(=O)CN1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001266379338 835790317 /nfs/dbraw/zinc/79/03/17/835790317.db2.gz FRGOQWOCRYDCNP-HZPDHXFCSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCNC(=O)CN1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001266379338 835790327 /nfs/dbraw/zinc/79/03/27/835790327.db2.gz FRGOQWOCRYDCNP-HZPDHXFCSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)C1(c2ccccn2)CC1 ZINC001266391021 835799955 /nfs/dbraw/zinc/79/99/55/835799955.db2.gz WHMVYNWHOXRYRS-OAHLLOKOSA-N 1 1 342.443 0.689 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)C1(c2ccccn2)CC1 ZINC001266391021 835799969 /nfs/dbraw/zinc/79/99/69/835799969.db2.gz WHMVYNWHOXRYRS-OAHLLOKOSA-N 1 1 342.443 0.689 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ncc(Cl)s1)CC(=O)NCC#N ZINC001266403299 835810162 /nfs/dbraw/zinc/81/01/62/835810162.db2.gz MQDVFEIYPLYMJC-UHFFFAOYSA-N 1 1 329.813 0.488 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ncc(Cl)s1)CC(=O)NCC#N ZINC001266403299 835810171 /nfs/dbraw/zinc/81/01/71/835810171.db2.gz MQDVFEIYPLYMJC-UHFFFAOYSA-N 1 1 329.813 0.488 20 30 ECEDMO Cc1nonc1C[NH2+]CCOCCN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001279401996 835823959 /nfs/dbraw/zinc/82/39/59/835823959.db2.gz IYHDBZGMZSAIER-UHFFFAOYSA-N 1 1 332.364 0.456 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cc(N(C)C)ccn1 ZINC001266440052 835844763 /nfs/dbraw/zinc/84/47/63/835844763.db2.gz DXFWVYVDSVKDOC-CQSZACIVSA-N 1 1 345.447 0.337 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cc(N(C)C)ccn1 ZINC001266440052 835844772 /nfs/dbraw/zinc/84/47/72/835844772.db2.gz DXFWVYVDSVKDOC-CQSZACIVSA-N 1 1 345.447 0.337 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001266460967 835863348 /nfs/dbraw/zinc/86/33/48/835863348.db2.gz GZNNYCYRMQEAJD-DZGCQCFKSA-N 1 1 346.431 0.381 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001266460967 835863354 /nfs/dbraw/zinc/86/33/54/835863354.db2.gz GZNNYCYRMQEAJD-DZGCQCFKSA-N 1 1 346.431 0.381 20 30 ECEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001266469978 835873532 /nfs/dbraw/zinc/87/35/32/835873532.db2.gz XJRJORMLIRHMLT-KBPBESRZSA-N 1 1 331.482 0.671 20 30 ECEDMO C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1CC ZINC001266489746 835890334 /nfs/dbraw/zinc/89/03/34/835890334.db2.gz PXWJOCPIKYHBIN-BBWFWOEESA-N 1 1 337.464 0.585 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1CC ZINC001266489746 835890339 /nfs/dbraw/zinc/89/03/39/835890339.db2.gz PXWJOCPIKYHBIN-BBWFWOEESA-N 1 1 337.464 0.585 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]cnc1CC ZINC001266492686 835892988 /nfs/dbraw/zinc/89/29/88/835892988.db2.gz UVMFUDTUXUDVNH-CHWSQXEVSA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]cnc1CC ZINC001266492686 835892989 /nfs/dbraw/zinc/89/29/89/835892989.db2.gz UVMFUDTUXUDVNH-CHWSQXEVSA-N 1 1 333.436 0.857 20 30 ECEDMO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CSCC#N)C1 ZINC001266499628 835900484 /nfs/dbraw/zinc/90/04/84/835900484.db2.gz DRRGNNJOSFLZBX-ZIAGYGMSSA-N 1 1 340.493 0.842 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O ZINC001266502059 835903471 /nfs/dbraw/zinc/90/34/71/835903471.db2.gz UKYQPFNSQKKXGT-MCIONIFRSA-N 1 1 334.420 0.568 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001266505718 835906611 /nfs/dbraw/zinc/90/66/11/835906611.db2.gz PDLPYGDJMVTCOY-ZDUSSCGKSA-N 1 1 336.388 0.789 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001266505718 835906617 /nfs/dbraw/zinc/90/66/17/835906617.db2.gz PDLPYGDJMVTCOY-ZDUSSCGKSA-N 1 1 336.388 0.789 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccn(C)c2)C1 ZINC001266509836 835916014 /nfs/dbraw/zinc/91/60/14/835916014.db2.gz TYFCGIDDNOJPRS-ZDUSSCGKSA-N 1 1 347.419 0.089 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn(C)c2)C1 ZINC001266509836 835916018 /nfs/dbraw/zinc/91/60/18/835916018.db2.gz TYFCGIDDNOJPRS-ZDUSSCGKSA-N 1 1 347.419 0.089 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC001266511675 835919737 /nfs/dbraw/zinc/91/97/37/835919737.db2.gz OYWHSWZXGZCJIB-QGZVFWFLSA-N 1 1 342.443 0.939 20 30 ECEDMO O=C(C#CC1CC1)NC[C@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001266512217 835920571 /nfs/dbraw/zinc/92/05/71/835920571.db2.gz ZLNQBFSBEIKOTE-MRXNPFEDSA-N 1 1 338.473 0.663 20 30 ECEDMO Cc1cnccc1CC(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266514066 835924236 /nfs/dbraw/zinc/92/42/36/835924236.db2.gz LDIFHSKSISJTBT-CQSZACIVSA-N 1 1 329.404 0.010 20 30 ECEDMO Cc1cnccc1CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266514066 835924241 /nfs/dbraw/zinc/92/42/41/835924241.db2.gz LDIFHSKSISJTBT-CQSZACIVSA-N 1 1 329.404 0.010 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC001266526084 835941219 /nfs/dbraw/zinc/94/12/19/835941219.db2.gz QOASUTVEMOEOFM-CQSZACIVSA-N 1 1 345.509 0.918 20 30 ECEDMO CC#CCCCC(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001266528177 835943494 /nfs/dbraw/zinc/94/34/94/835943494.db2.gz KXRVKUZTJNOEFC-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO Cc1c(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)ccc2cncn21 ZINC001266534306 835952524 /nfs/dbraw/zinc/95/25/24/835952524.db2.gz GIILZHVUWXFKDK-ZDUSSCGKSA-N 1 1 340.387 0.087 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2cnn(CC)c2)C1 ZINC001266544750 835966705 /nfs/dbraw/zinc/96/67/05/835966705.db2.gz IFYVOPCEPAUNLK-LSDHHAIUSA-N 1 1 347.463 0.574 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N(CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266560380 835988413 /nfs/dbraw/zinc/98/84/13/835988413.db2.gz JYVRTQWTUQMAMJ-WBVHZDCISA-N 1 1 348.491 0.294 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCC)CCNC(=O)c2n[nH]cc2F)C1=O ZINC001266570912 836001522 /nfs/dbraw/zinc/00/15/22/836001522.db2.gz APQYOFILRJTJPR-ZDUSSCGKSA-N 1 1 337.399 0.778 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001266593186 836024103 /nfs/dbraw/zinc/02/41/03/836024103.db2.gz AFJQZONUNLBHCV-XDQVBPFNSA-N 1 1 343.431 0.204 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)CC(C)(C)C)C1 ZINC001279462542 836054077 /nfs/dbraw/zinc/05/40/77/836054077.db2.gz REFQSIUGUCRSDX-KSSFIOAISA-N 1 1 337.464 0.504 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@](CO)(NC(=O)CC(C)(C)C)C1 ZINC001279462542 836054086 /nfs/dbraw/zinc/05/40/86/836054086.db2.gz REFQSIUGUCRSDX-KSSFIOAISA-N 1 1 337.464 0.504 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@@]1(CO)CCC[N@H+](CCOCC(F)(F)F)C1 ZINC001279471059 836073516 /nfs/dbraw/zinc/07/35/16/836073516.db2.gz KBFHXIQQEDULRA-AAEUAGOBSA-N 1 1 337.342 0.668 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@@]1(CO)CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC001279471059 836073524 /nfs/dbraw/zinc/07/35/24/836073524.db2.gz KBFHXIQQEDULRA-AAEUAGOBSA-N 1 1 337.342 0.668 20 30 ECEDMO Cn1cccc1C(=O)N1CCC[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266656593 836092797 /nfs/dbraw/zinc/09/27/97/836092797.db2.gz YKXRXIBITJAXMM-HUUCEWRRSA-N 1 1 343.431 0.591 20 30 ECEDMO Cn1cccc1C(=O)N1CCC[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266656593 836092808 /nfs/dbraw/zinc/09/28/08/836092808.db2.gz YKXRXIBITJAXMM-HUUCEWRRSA-N 1 1 343.431 0.591 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2csnn2)C1 ZINC001266658831 836094860 /nfs/dbraw/zinc/09/48/60/836094860.db2.gz IXHOLGQBKSLVCY-GXTWGEPZSA-N 1 1 349.460 0.767 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2cc[nH]n2)C1 ZINC001266658926 836095330 /nfs/dbraw/zinc/09/53/30/836095330.db2.gz KAHMJNQPNQGQAY-ZBFHGGJFSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccn[nH]2)C1 ZINC001266658926 836095336 /nfs/dbraw/zinc/09/53/36/836095336.db2.gz KAHMJNQPNQGQAY-ZBFHGGJFSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccn[nH]2)C1 ZINC001266658926 836095345 /nfs/dbraw/zinc/09/53/45/836095345.db2.gz KAHMJNQPNQGQAY-ZBFHGGJFSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nonc2C)C1 ZINC001266663565 836100805 /nfs/dbraw/zinc/10/08/05/836100805.db2.gz OSVKLPRVGWODCS-KBPBESRZSA-N 1 1 345.403 0.054 20 30 ECEDMO CCCSCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266740577 836223128 /nfs/dbraw/zinc/22/31/28/836223128.db2.gz USFNGCGCNDRCES-ZDUSSCGKSA-N 1 1 326.466 0.598 20 30 ECEDMO CCCSCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266740577 836223132 /nfs/dbraw/zinc/22/31/32/836223132.db2.gz USFNGCGCNDRCES-ZDUSSCGKSA-N 1 1 326.466 0.598 20 30 ECEDMO CCc1cccnc1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266755760 836251978 /nfs/dbraw/zinc/25/19/78/836251978.db2.gz UPPYMCMKFAWLOZ-AWEZNQCLSA-N 1 1 343.431 0.726 20 30 ECEDMO CCc1cccnc1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266755760 836251988 /nfs/dbraw/zinc/25/19/88/836251988.db2.gz UPPYMCMKFAWLOZ-AWEZNQCLSA-N 1 1 343.431 0.726 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2cnoc2CC)C1 ZINC001266764343 836268171 /nfs/dbraw/zinc/26/81/71/836268171.db2.gz PHONCGSJEUJTOI-KGLIPLIRSA-N 1 1 346.431 0.817 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001266766660 836272514 /nfs/dbraw/zinc/27/25/14/836272514.db2.gz IHIWEDDMBOFANQ-KGLIPLIRSA-N 1 1 336.436 0.769 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001266802390 836325802 /nfs/dbraw/zinc/32/58/02/836325802.db2.gz ZWGMVYGZZVQLOF-HOTGVXAUSA-N 1 1 336.480 0.601 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC001266845304 836373336 /nfs/dbraw/zinc/37/33/36/836373336.db2.gz VZNDGALQQPAHFV-HNNXBMFYSA-N 1 1 346.431 0.272 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC001266845304 836373349 /nfs/dbraw/zinc/37/33/49/836373349.db2.gz VZNDGALQQPAHFV-HNNXBMFYSA-N 1 1 346.431 0.272 20 30 ECEDMO COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc(C)cc1=O ZINC001266856179 836390908 /nfs/dbraw/zinc/39/09/08/836390908.db2.gz KYQGEZWSALIQKY-QGZVFWFLSA-N 1 1 345.443 0.777 20 30 ECEDMO COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc(C)cc1=O ZINC001266856179 836390918 /nfs/dbraw/zinc/39/09/18/836390918.db2.gz KYQGEZWSALIQKY-QGZVFWFLSA-N 1 1 345.443 0.777 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)c1cnc(C)[nH]1 ZINC001266863672 836406277 /nfs/dbraw/zinc/40/62/77/836406277.db2.gz LOBMWUIPTPJMDD-JSGCOSHPSA-N 1 1 333.436 0.993 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC(C)(C)O ZINC001266885690 836433963 /nfs/dbraw/zinc/43/39/63/836433963.db2.gz GDHZISQRCABTSU-CVEARBPZSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccnc(F)c2)C1 ZINC001266890049 836439078 /nfs/dbraw/zinc/43/90/78/836439078.db2.gz LQNICKKTFWXIGK-DZGCQCFKSA-N 1 1 346.406 0.800 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(=O)[nH]c1)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266896699 836448052 /nfs/dbraw/zinc/44/80/52/836448052.db2.gz FWQRNZPGCJGHFL-OCCSQVGLSA-N 1 1 345.403 0.257 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001266898584 836450215 /nfs/dbraw/zinc/45/02/15/836450215.db2.gz XDKPDSOGBZUOII-ZIAGYGMSSA-N 1 1 346.431 0.594 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001266898204 836450353 /nfs/dbraw/zinc/45/03/53/836450353.db2.gz ZKHWYZUMXPUJBY-VIFPVBQESA-N 1 1 347.341 0.781 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266901032 836453585 /nfs/dbraw/zinc/45/35/85/836453585.db2.gz IIUNMSZKWHYZLW-UUAJXVIYSA-N 1 1 346.475 0.044 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266901032 836453589 /nfs/dbraw/zinc/45/35/89/836453589.db2.gz IIUNMSZKWHYZLW-UUAJXVIYSA-N 1 1 346.475 0.044 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC ZINC001266901095 836455175 /nfs/dbraw/zinc/45/51/75/836455175.db2.gz OUYGEQJPRGEVNX-SEBNEYGDSA-N 1 1 343.493 0.715 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001266903395 836459883 /nfs/dbraw/zinc/45/98/83/836459883.db2.gz JZAKESBGYPWJDU-ZOFXXKQRSA-N 1 1 348.491 0.291 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(C)C ZINC001266904773 836462455 /nfs/dbraw/zinc/46/24/55/836462455.db2.gz JLALSRQUPPTSBS-GRYWWWGRSA-N 1 1 348.447 0.337 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(C)C ZINC001266904773 836462461 /nfs/dbraw/zinc/46/24/61/836462461.db2.gz JLALSRQUPPTSBS-GRYWWWGRSA-N 1 1 348.447 0.337 20 30 ECEDMO C=CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCNS(C)(=O)=O ZINC001279541217 836499907 /nfs/dbraw/zinc/49/99/07/836499907.db2.gz IMYPNUAPGJLIHL-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001267105289 836782774 /nfs/dbraw/zinc/78/27/74/836782774.db2.gz JGHOJQVYSBFVED-UONOGXRCSA-N 1 1 325.453 0.761 20 30 ECEDMO Cc1ccncc1CC(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267105391 836783211 /nfs/dbraw/zinc/78/32/11/836783211.db2.gz ZTNCTBUNDBIHEB-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO Cc1ccncc1CC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267105391 836783216 /nfs/dbraw/zinc/78/32/16/836783216.db2.gz ZTNCTBUNDBIHEB-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2cscn2)C1 ZINC001267112799 836802497 /nfs/dbraw/zinc/80/24/97/836802497.db2.gz XOQAMELLUWHFMK-HIFRSBDPSA-N 1 1 348.472 0.746 20 30 ECEDMO C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001267114702 836806731 /nfs/dbraw/zinc/80/67/31/836806731.db2.gz LFFVENYBXOTFCJ-AWEZNQCLSA-N 1 1 334.420 0.853 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC001267193422 836958116 /nfs/dbraw/zinc/95/81/16/836958116.db2.gz PMNLVYUJGCYPTP-GUYCJALGSA-N 1 1 325.453 0.761 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC001267193422 836958124 /nfs/dbraw/zinc/95/81/24/836958124.db2.gz PMNLVYUJGCYPTP-GUYCJALGSA-N 1 1 325.453 0.761 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CCCc3n[nH]cc32)C1=O ZINC001267195712 836961172 /nfs/dbraw/zinc/96/11/72/836961172.db2.gz LDEKDIIYYOLHLB-CZUORRHYSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CCCc3n[nH]cc32)C1=O ZINC001267195712 836961184 /nfs/dbraw/zinc/96/11/84/836961184.db2.gz LDEKDIIYYOLHLB-CZUORRHYSA-N 1 1 345.447 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1cn(C(C)C)nn1 ZINC001267198904 836967408 /nfs/dbraw/zinc/96/74/08/836967408.db2.gz CWOZQPZTMFUYPW-INIZCTEOSA-N 1 1 332.452 0.505 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1cn(C(C)C)nn1 ZINC001267198904 836967412 /nfs/dbraw/zinc/96/74/12/836967412.db2.gz CWOZQPZTMFUYPW-INIZCTEOSA-N 1 1 332.452 0.505 20 30 ECEDMO CCC(CC)N1C[C@H](C(=O)NCC[N@@H+](C)CC#CCOC)CC1=O ZINC001267199969 836973760 /nfs/dbraw/zinc/97/37/60/836973760.db2.gz ZSTLUCKGMSLIRO-OAHLLOKOSA-N 1 1 337.464 0.721 20 30 ECEDMO COCC#CC[NH2+][C@H](C)C1CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001267200747 836976457 /nfs/dbraw/zinc/97/64/57/836976457.db2.gz GRSJGHNGCYUZHI-CYBMUJFWSA-N 1 1 334.420 0.606 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001267204396 836982240 /nfs/dbraw/zinc/98/22/40/836982240.db2.gz AGPIZHSJZAANKV-LBPRGKRZSA-N 1 1 347.419 0.081 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001267204396 836982247 /nfs/dbraw/zinc/98/22/47/836982247.db2.gz AGPIZHSJZAANKV-LBPRGKRZSA-N 1 1 347.419 0.081 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C1CCCC1 ZINC001267226064 837022997 /nfs/dbraw/zinc/02/29/97/837022997.db2.gz MAWPAUHLCGWOIB-ZDUSSCGKSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C1CCCC1 ZINC001267226064 837023008 /nfs/dbraw/zinc/02/30/08/837023008.db2.gz MAWPAUHLCGWOIB-ZDUSSCGKSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001267233380 837039305 /nfs/dbraw/zinc/03/93/05/837039305.db2.gz SQCUJVQTGWRCQK-LLVKDONJSA-N 1 1 346.387 0.886 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001267233380 837039319 /nfs/dbraw/zinc/03/93/19/837039319.db2.gz SQCUJVQTGWRCQK-LLVKDONJSA-N 1 1 346.387 0.886 20 30 ECEDMO CC[N@@H+](CCNC(=O)CSCC#N)C[C@@H]1CCNC(=O)CC1 ZINC001267237009 837044192 /nfs/dbraw/zinc/04/41/92/837044192.db2.gz WYQZQSMKXNSPFE-ZDUSSCGKSA-N 1 1 326.466 0.598 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)Cc2cccnc2)C1=O ZINC001267238060 837045673 /nfs/dbraw/zinc/04/56/73/837045673.db2.gz APWMZRCNGIAMFF-INIZCTEOSA-N 1 1 330.432 0.849 20 30 ECEDMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCCNC(=O)[C@H](C)C#N)C(C)C ZINC001267239965 837048081 /nfs/dbraw/zinc/04/80/81/837048081.db2.gz WICHSZGOEPALOT-CHWSQXEVSA-N 1 1 339.440 0.597 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@@H+](CC)CC(=O)N1CCC[C@@H](C)C1 ZINC001267241097 837048724 /nfs/dbraw/zinc/04/87/24/837048724.db2.gz JYWBZLNAUZQOHE-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@H+](CC)CC(=O)N1CCC[C@@H](C)C1 ZINC001267241097 837048741 /nfs/dbraw/zinc/04/87/41/837048741.db2.gz JYWBZLNAUZQOHE-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1scnc1CC ZINC001267242748 837051819 /nfs/dbraw/zinc/05/18/19/837051819.db2.gz WSQFPTBNEZOZGR-LBPRGKRZSA-N 1 1 336.461 0.895 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1scnc1CC ZINC001267242748 837051829 /nfs/dbraw/zinc/05/18/29/837051829.db2.gz WSQFPTBNEZOZGR-LBPRGKRZSA-N 1 1 336.461 0.895 20 30 ECEDMO CC[N@H+](CCNC(=O)Cc1sc(C)nc1C)CC(=O)NCC#N ZINC001267246718 837060995 /nfs/dbraw/zinc/06/09/95/837060995.db2.gz LFHAOBBUICIBAY-UHFFFAOYSA-N 1 1 337.449 0.380 20 30 ECEDMO CC[N@@H+](CCNC(=O)Cc1sc(C)nc1C)CC(=O)NCC#N ZINC001267246718 837060999 /nfs/dbraw/zinc/06/09/99/837060999.db2.gz LFHAOBBUICIBAY-UHFFFAOYSA-N 1 1 337.449 0.380 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cn(C)nc1C1CCC1 ZINC001267246340 837061242 /nfs/dbraw/zinc/06/12/42/837061242.db2.gz WURIPAFCZIXWTR-UHFFFAOYSA-N 1 1 345.447 0.489 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cn(C)nc1C1CCC1 ZINC001267246340 837061247 /nfs/dbraw/zinc/06/12/47/837061247.db2.gz WURIPAFCZIXWTR-UHFFFAOYSA-N 1 1 345.447 0.489 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cc(C(F)(F)F)n[nH]1)CC(=O)NCC#N ZINC001267252599 837071690 /nfs/dbraw/zinc/07/16/90/837071690.db2.gz VJBXHQHUMJYYIU-UHFFFAOYSA-N 1 1 346.313 0.120 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cc(C(F)(F)F)n[nH]1)CC(=O)NCC#N ZINC001267252599 837071700 /nfs/dbraw/zinc/07/17/00/837071700.db2.gz VJBXHQHUMJYYIU-UHFFFAOYSA-N 1 1 346.313 0.120 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cn(C)nc1Cl ZINC001267254248 837074755 /nfs/dbraw/zinc/07/47/55/837074755.db2.gz IEVVRBUPUICZPJ-LLVKDONJSA-N 1 1 339.827 0.263 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cn(C)nc1Cl ZINC001267254248 837074763 /nfs/dbraw/zinc/07/47/63/837074763.db2.gz IEVVRBUPUICZPJ-LLVKDONJSA-N 1 1 339.827 0.263 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2cnn(C)c2OC)C1=O ZINC001267254882 837075945 /nfs/dbraw/zinc/07/59/45/837075945.db2.gz JEWHWRJZKHPNTC-AWEZNQCLSA-N 1 1 349.435 0.267 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001267263678 837098226 /nfs/dbraw/zinc/09/82/26/837098226.db2.gz NJWVZSSUIPNORN-QWHCGFSZSA-N 1 1 336.436 0.625 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001267263678 837098234 /nfs/dbraw/zinc/09/82/34/837098234.db2.gz NJWVZSSUIPNORN-QWHCGFSZSA-N 1 1 336.436 0.625 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CCC[N@H+]1C[C@@H](C)CS(C)(=O)=O ZINC001267265909 837101551 /nfs/dbraw/zinc/10/15/51/837101551.db2.gz CEROEICAUPLEJF-CABCVRRESA-N 1 1 328.478 0.907 20 30 ECEDMO CC(C)C#CC(=O)NC[C@@H]1CCC[N@@H+]1C[C@@H](C)CS(C)(=O)=O ZINC001267265909 837101555 /nfs/dbraw/zinc/10/15/55/837101555.db2.gz CEROEICAUPLEJF-CABCVRRESA-N 1 1 328.478 0.907 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001267267148 837104981 /nfs/dbraw/zinc/10/49/81/837104981.db2.gz LPUOWXGJSNGNCP-WBVHZDCISA-N 1 1 349.475 0.912 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC001267267277 837105029 /nfs/dbraw/zinc/10/50/29/837105029.db2.gz NNDQEQFMLYVZBY-ZBFHGGJFSA-N 1 1 347.415 0.628 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC001267268213 837107848 /nfs/dbraw/zinc/10/78/48/837107848.db2.gz XWZCIRSWQDGNTM-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC001267268213 837107855 /nfs/dbraw/zinc/10/78/55/837107855.db2.gz XWZCIRSWQDGNTM-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN(Cc1nnnn1C)C(C)C ZINC001267272813 837115146 /nfs/dbraw/zinc/11/51/46/837115146.db2.gz CBZHKWNAUIBBKV-HNNXBMFYSA-N 1 1 347.467 0.024 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN(Cc1nnnn1C)C(C)C ZINC001267272813 837115151 /nfs/dbraw/zinc/11/51/51/837115151.db2.gz CBZHKWNAUIBBKV-HNNXBMFYSA-N 1 1 347.467 0.024 20 30 ECEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)NC(N)=O)CCC1 ZINC001267275119 837118723 /nfs/dbraw/zinc/11/87/23/837118723.db2.gz CUAZSCMBEZWMFW-CHWSQXEVSA-N 1 1 336.436 0.897 20 30 ECEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)NC(N)=O)CCC1 ZINC001267275119 837118726 /nfs/dbraw/zinc/11/87/26/837118726.db2.gz CUAZSCMBEZWMFW-CHWSQXEVSA-N 1 1 336.436 0.897 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267275590 837119088 /nfs/dbraw/zinc/11/90/88/837119088.db2.gz XZDJFCAGFOUOFG-JYJNAYRXSA-N 1 1 336.480 0.600 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001267292545 837144709 /nfs/dbraw/zinc/14/47/09/837144709.db2.gz BUUBTWBDDIEAMO-AWEZNQCLSA-N 1 1 332.404 0.463 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001267292545 837144713 /nfs/dbraw/zinc/14/47/13/837144713.db2.gz BUUBTWBDDIEAMO-AWEZNQCLSA-N 1 1 332.404 0.463 20 30 ECEDMO COCCOC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001267292633 837147736 /nfs/dbraw/zinc/14/77/36/837147736.db2.gz DDRWPTTXKADEJF-JKSUJKDBSA-N 1 1 340.464 0.498 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CCc2ccnn2C)C1 ZINC001267294263 837148343 /nfs/dbraw/zinc/14/83/43/837148343.db2.gz FPNLRZPFGPKDBO-CABCVRRESA-N 1 1 347.463 0.482 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001267299016 837161664 /nfs/dbraw/zinc/16/16/64/837161664.db2.gz VOQZPKGJAGWQBF-GFCCVEGCSA-N 1 1 335.429 0.558 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2onc3c2CCCC3)C1 ZINC001267299674 837162544 /nfs/dbraw/zinc/16/25/44/837162544.db2.gz YOHUKFNYARNDEJ-CYBMUJFWSA-N 1 1 346.431 0.907 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001267302739 837167499 /nfs/dbraw/zinc/16/74/99/837167499.db2.gz HKRYDKBASZXSQV-NVXWUHKLSA-N 1 1 347.463 0.829 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cn(C(C)C)nc2C)C1 ZINC001267306643 837178105 /nfs/dbraw/zinc/17/81/05/837178105.db2.gz JEKKLINMDVZLKD-OAHLLOKOSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001267307413 837179357 /nfs/dbraw/zinc/17/93/57/837179357.db2.gz SDJMLUMIATVPEF-GJZGRUSLSA-N 1 1 330.432 0.925 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(CC)n(C)n2)C1 ZINC001267308502 837182791 /nfs/dbraw/zinc/18/27/91/837182791.db2.gz AEWMIECNEGSMRC-KGLIPLIRSA-N 1 1 347.463 0.725 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCNC(=O)c2cc(OC)no2)C2CC2)C1=O ZINC001267325707 837203421 /nfs/dbraw/zinc/20/34/21/837203421.db2.gz JJIASPGNGUYGIT-ZDUSSCGKSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCNC(=O)c2cc(OC)no2)C2CC2)C1=O ZINC001267325707 837203428 /nfs/dbraw/zinc/20/34/28/837203428.db2.gz JJIASPGNGUYGIT-ZDUSSCGKSA-N 1 1 348.403 0.664 20 30 ECEDMO CCc1cccc(C(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)n1 ZINC001267327647 837207109 /nfs/dbraw/zinc/20/71/09/837207109.db2.gz VIGBMAYICGUNQU-UHFFFAOYSA-N 1 1 329.404 0.478 20 30 ECEDMO CCc1cccc(C(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)n1 ZINC001267327647 837207111 /nfs/dbraw/zinc/20/71/11/837207111.db2.gz VIGBMAYICGUNQU-UHFFFAOYSA-N 1 1 329.404 0.478 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@]1(F)CCOC1)c1ccccc1 ZINC001267371602 837272301 /nfs/dbraw/zinc/27/23/01/837272301.db2.gz ZZUUQKQUTWBOIM-YJBOKZPZSA-N 1 1 347.390 0.312 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001267581096 837845034 /nfs/dbraw/zinc/84/50/34/837845034.db2.gz IWCVGEQEGYBOEN-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC001267581936 837846711 /nfs/dbraw/zinc/84/67/11/837846711.db2.gz GJGPELNGYWZFIB-LSDHHAIUSA-N 1 1 345.447 0.260 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)c2coc(C3CC3)n2)C1 ZINC001267582446 837847412 /nfs/dbraw/zinc/84/74/12/837847412.db2.gz DRZBXHQTJFOTEU-GFCCVEGCSA-N 1 1 345.403 0.634 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2nccn2CC)C1 ZINC001267582877 837848239 /nfs/dbraw/zinc/84/82/39/837848239.db2.gz ZXSOXANDJUENCY-CQSZACIVSA-N 1 1 331.420 0.046 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccncn2)C1 ZINC001267584659 837856344 /nfs/dbraw/zinc/85/63/44/837856344.db2.gz ZEYHEOPKUSWKAR-KBPBESRZSA-N 1 1 329.404 0.056 20 30 ECEDMO CCO[C@H]1C[C@H]1C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267598239 837907617 /nfs/dbraw/zinc/90/76/17/837907617.db2.gz XVBWKHCNSDFLNZ-CABCVRRESA-N 1 1 336.436 0.222 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001267598596 837907780 /nfs/dbraw/zinc/90/77/80/837907780.db2.gz JXLWQPIWNPRXOX-INIZCTEOSA-N 1 1 336.432 0.760 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(C[N@H+](C)[C@@H](C)C(N)=O)CC2)nn1 ZINC001267603132 837929721 /nfs/dbraw/zinc/92/97/21/837929721.db2.gz QNKWKOXVQXCBQA-LBPRGKRZSA-N 1 1 334.424 0.122 20 30 ECEDMO C=CCCC[NH+]1CCN(CCN(C)C(=O)CS(C)(=O)=O)CC1 ZINC001267605879 837944132 /nfs/dbraw/zinc/94/41/32/837944132.db2.gz GHSNEKURPWDUOB-UHFFFAOYSA-N 1 1 331.482 0.073 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001267625064 838071631 /nfs/dbraw/zinc/07/16/31/838071631.db2.gz UVMIHCKRDDNOBQ-GUYCJALGSA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001267625064 838071645 /nfs/dbraw/zinc/07/16/45/838071645.db2.gz UVMIHCKRDDNOBQ-GUYCJALGSA-N 1 1 325.453 0.809 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@H](NC(=O)c2ccnc3c2nnn3C)C1 ZINC001267629910 838086753 /nfs/dbraw/zinc/08/67/53/838086753.db2.gz QQJFGHPEZSWVIJ-ZDUSSCGKSA-N 1 1 344.419 0.760 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)noc2C)C1 ZINC001267634253 838103731 /nfs/dbraw/zinc/10/37/31/838103731.db2.gz NLFKGTLXJMIXAG-ZFWWWQNUSA-N 1 1 346.431 0.552 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2c(C)noc2C)C1 ZINC001267634253 838103734 /nfs/dbraw/zinc/10/37/34/838103734.db2.gz NLFKGTLXJMIXAG-ZFWWWQNUSA-N 1 1 346.431 0.552 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N2CCCCC2)C1 ZINC001267646120 838132224 /nfs/dbraw/zinc/13/22/24/838132224.db2.gz LWAYYPBEUKEFRZ-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC2CC2)C1 ZINC001267647291 838134335 /nfs/dbraw/zinc/13/43/35/838134335.db2.gz WAFNNIVYQYRUFP-HOCLYGCPSA-N 1 1 335.448 0.331 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001267653658 838157499 /nfs/dbraw/zinc/15/74/99/838157499.db2.gz XHHJCRKGSWKSAJ-HNNXBMFYSA-N 1 1 343.427 0.968 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001267653791 838158990 /nfs/dbraw/zinc/15/89/90/838158990.db2.gz YWCGXROXCVKYBW-CVEARBPZSA-N 1 1 335.448 0.285 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(C)c2CC)C1 ZINC001267657593 838171065 /nfs/dbraw/zinc/17/10/65/838171065.db2.gz ALFJKCCFADVRPX-CQSZACIVSA-N 1 1 347.463 0.679 20 30 ECEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001267658303 838173775 /nfs/dbraw/zinc/17/37/75/838173775.db2.gz NIWWFQHJYKHFAV-ZIAGYGMSSA-N 1 1 333.436 0.903 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C(C)C)on2)C1 ZINC001267670214 838202972 /nfs/dbraw/zinc/20/29/72/838202972.db2.gz LHURLQDBKYGGBT-CQSZACIVSA-N 1 1 346.431 0.941 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N2CCOCC2)C1 ZINC001267670351 838204031 /nfs/dbraw/zinc/20/40/31/838204031.db2.gz MOCPKCDBFNXCMS-QGZVFWFLSA-N 1 1 349.475 0.819 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC1C[NH+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC001267680897 838240514 /nfs/dbraw/zinc/24/05/14/838240514.db2.gz AUSQAWIXHOUKIG-GJZGRUSLSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC1C[NH+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC001267680899 838240763 /nfs/dbraw/zinc/24/07/63/838240763.db2.gz AUSQAWIXHOUKIG-LSDHHAIUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N(C)C)C2)c1 ZINC001267681926 838241125 /nfs/dbraw/zinc/24/11/25/838241125.db2.gz CEOJGWZRGJMZAI-GDBMZVCRSA-N 1 1 342.443 0.934 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC001267683067 838243887 /nfs/dbraw/zinc/24/38/87/838243887.db2.gz JBQJLQJRIUXZSH-JKSUJKDBSA-N 1 1 344.459 0.865 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C2)CC1 ZINC001267683052 838244277 /nfs/dbraw/zinc/24/42/77/838244277.db2.gz IWAITNPHDWGLHP-CYBMUJFWSA-N 1 1 336.436 0.708 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC001267684612 838246754 /nfs/dbraw/zinc/24/67/54/838246754.db2.gz QMSJSHSGHHDSRD-ZDUSSCGKSA-N 1 1 341.402 0.952 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001267689980 838258601 /nfs/dbraw/zinc/25/86/01/838258601.db2.gz JWVRJDIXDSFQCM-STQMWFEESA-N 1 1 338.452 0.952 20 30 ECEDMO CCCN1C[C@H](C(=O)N2CC[C@H](C[N@@H+](C)CC#CCOC)C2)CC1=O ZINC001267691178 838261858 /nfs/dbraw/zinc/26/18/58/838261858.db2.gz VKYKBKZRVASHEI-IAGOWNOFSA-N 1 1 349.475 0.675 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC(CNC(=O)Cc2nc[nH]n2)C1 ZINC001267696275 838284799 /nfs/dbraw/zinc/28/47/99/838284799.db2.gz QUJBVFDZLKSZNY-ZDUSSCGKSA-N 1 1 348.451 0.208 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cccnn2)C1 ZINC001267695362 838286558 /nfs/dbraw/zinc/28/65/58/838286558.db2.gz SYNDXYLUDDXKMC-CQSZACIVSA-N 1 1 345.447 0.951 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COC ZINC001267710860 838325363 /nfs/dbraw/zinc/32/53/63/838325363.db2.gz BKHCBEDUWLCKTN-LJIGWXMPSA-N 1 1 326.437 0.508 20 30 ECEDMO COCCOCC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2OC)C1 ZINC001267723209 838379984 /nfs/dbraw/zinc/37/99/84/838379984.db2.gz SDMYQDWPEZLFGM-INIZCTEOSA-N 1 1 347.415 0.920 20 30 ECEDMO COCCOCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC001267723209 838379990 /nfs/dbraw/zinc/37/99/90/838379990.db2.gz SDMYQDWPEZLFGM-INIZCTEOSA-N 1 1 347.415 0.920 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(NC(C)=O)C(C)C)C1 ZINC001267734803 838428779 /nfs/dbraw/zinc/42/87/79/838428779.db2.gz AAHNPJYLGYQFDF-RDJZCZTQSA-N 1 1 325.453 0.930 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)N(C)CC2CC2)C1 ZINC001267743992 838446187 /nfs/dbraw/zinc/44/61/87/838446187.db2.gz DENUPSAKGIAQEP-SJORKVTESA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)N(C)CC2CC2)C1 ZINC001267743992 838446189 /nfs/dbraw/zinc/44/61/89/838446189.db2.gz DENUPSAKGIAQEP-SJORKVTESA-N 1 1 346.475 0.143 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001267752149 838473636 /nfs/dbraw/zinc/47/36/36/838473636.db2.gz UJPJSVDONYVGLT-GOEBONIOSA-N 1 1 342.443 0.695 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001267752149 838473641 /nfs/dbraw/zinc/47/36/41/838473641.db2.gz UJPJSVDONYVGLT-GOEBONIOSA-N 1 1 342.443 0.695 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC(C[N@H+](C)[C@@H](C)C(N)=O)CC2)nn1 ZINC001267752113 838473963 /nfs/dbraw/zinc/47/39/63/838473963.db2.gz FXAUAKHVFXUAFJ-ZDUSSCGKSA-N 1 1 348.451 0.512 20 30 ECEDMO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001267759559 838484742 /nfs/dbraw/zinc/48/47/42/838484742.db2.gz LADYVDJTUMCWTO-CHWSQXEVSA-N 1 1 330.454 0.008 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)[C@H]1CC[N@@H+](CCn2nc(C)nc2C)C1 ZINC001267765453 838497506 /nfs/dbraw/zinc/49/75/06/838497506.db2.gz ZIPWQVNFQUQXRT-RDJZCZTQSA-N 1 1 335.452 0.755 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C(N)=O)c2)C1 ZINC001267766771 838502131 /nfs/dbraw/zinc/50/21/31/838502131.db2.gz LNWVWMQBUCWNMP-INIZCTEOSA-N 1 1 329.400 0.582 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C(N)=O)c2)C1 ZINC001267766771 838502136 /nfs/dbraw/zinc/50/21/36/838502136.db2.gz LNWVWMQBUCWNMP-INIZCTEOSA-N 1 1 329.400 0.582 20 30 ECEDMO C#CCCCCCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267767049 838502141 /nfs/dbraw/zinc/50/21/41/838502141.db2.gz CGAAJKRNYHILKK-UONOGXRCSA-N 1 1 336.436 0.686 20 30 ECEDMO C#CCCCCCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001267767049 838502142 /nfs/dbraw/zinc/50/21/42/838502142.db2.gz CGAAJKRNYHILKK-UONOGXRCSA-N 1 1 336.436 0.686 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001267767227 838503362 /nfs/dbraw/zinc/50/33/62/838503362.db2.gz NJLNVYSDGMRMJG-HOCLYGCPSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001267767227 838503366 /nfs/dbraw/zinc/50/33/66/838503366.db2.gz NJLNVYSDGMRMJG-HOCLYGCPSA-N 1 1 347.463 0.494 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C)C1 ZINC001267777088 838541994 /nfs/dbraw/zinc/54/19/94/838541994.db2.gz PLHROIFBDRREMJ-CHWSQXEVSA-N 1 1 338.452 0.966 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C)C1 ZINC001267777088 838541997 /nfs/dbraw/zinc/54/19/97/838541997.db2.gz PLHROIFBDRREMJ-CHWSQXEVSA-N 1 1 338.452 0.966 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccn2CC)C1 ZINC001267778168 838544671 /nfs/dbraw/zinc/54/46/71/838544671.db2.gz WCJUFWJYAGIMLP-CABCVRRESA-N 1 1 330.432 0.792 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cccn2CC)C1 ZINC001267778168 838544677 /nfs/dbraw/zinc/54/46/77/838544677.db2.gz WCJUFWJYAGIMLP-CABCVRRESA-N 1 1 330.432 0.792 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccnc2)C1 ZINC001267780707 838552550 /nfs/dbraw/zinc/55/25/50/838552550.db2.gz TZHYMDQRNPJVNT-GOEBONIOSA-N 1 1 328.416 0.756 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cccnc2)C1 ZINC001267780707 838552555 /nfs/dbraw/zinc/55/25/55/838552555.db2.gz TZHYMDQRNPJVNT-GOEBONIOSA-N 1 1 328.416 0.756 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2cccnc2)C1 ZINC001267780709 838552624 /nfs/dbraw/zinc/55/26/24/838552624.db2.gz TZHYMDQRNPJVNT-ZBFHGGJFSA-N 1 1 328.416 0.756 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2cccnc2)C1 ZINC001267780709 838552631 /nfs/dbraw/zinc/55/26/31/838552631.db2.gz TZHYMDQRNPJVNT-ZBFHGGJFSA-N 1 1 328.416 0.756 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2nccn2CC)C1 ZINC001267784597 838559635 /nfs/dbraw/zinc/55/96/35/838559635.db2.gz QWPOCYRLYRRXSV-GJZGRUSLSA-N 1 1 345.447 0.577 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2nccn2CC)C1 ZINC001267784597 838559636 /nfs/dbraw/zinc/55/96/36/838559636.db2.gz QWPOCYRLYRRXSV-GJZGRUSLSA-N 1 1 345.447 0.577 20 30 ECEDMO C#CCOCCC(=O)N(CC)[C@@H]1CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001267786693 838566540 /nfs/dbraw/zinc/56/65/40/838566540.db2.gz OQQBWTVCANIADN-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001105205063 838774703 /nfs/dbraw/zinc/77/47/03/838774703.db2.gz KHSISPMAGDDFJM-UHFFFAOYSA-N 1 1 325.376 0.841 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CCC(CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001267948128 838839736 /nfs/dbraw/zinc/83/97/36/838839736.db2.gz SJIZPIKZXCBNCE-ZDUSSCGKSA-N 1 1 348.451 0.256 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncnn1C(C)C ZINC001267955121 838857098 /nfs/dbraw/zinc/85/70/98/838857098.db2.gz JOOHGYZBIKRHEK-HUUCEWRRSA-N 1 1 333.436 0.978 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267962408 838876388 /nfs/dbraw/zinc/87/63/88/838876388.db2.gz MCURPNBDIIZTES-UONOGXRCSA-N 1 1 336.436 0.721 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)COC)CC2 ZINC001267972703 838902327 /nfs/dbraw/zinc/90/23/27/838902327.db2.gz OSOOCURBWYDPFJ-OAHLLOKOSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)Cn2ccc(C)cc2=O)C1 ZINC001268024751 839015466 /nfs/dbraw/zinc/01/54/66/839015466.db2.gz CBDXLGLWOOYQRH-INIZCTEOSA-N 1 1 333.432 0.940 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)Cn2nnnc2C(C)C)C1 ZINC001268025715 839023716 /nfs/dbraw/zinc/02/37/16/839023716.db2.gz KKWJJWWUNYFTTR-CQSZACIVSA-N 1 1 336.440 0.580 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(CC#CCOC)CCO1 ZINC001268028215 839039850 /nfs/dbraw/zinc/03/98/50/839039850.db2.gz AQMIJRRMJVHPPE-IAGOWNOFSA-N 1 1 337.464 0.328 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCO1)CC2 ZINC001268042843 839188863 /nfs/dbraw/zinc/18/88/63/839188863.db2.gz WWLPKMUBRMVTPD-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)OCCC=C)CC2 ZINC001268043328 839192171 /nfs/dbraw/zinc/19/21/71/839192171.db2.gz HOTNUWFDSCDVFQ-MRXNPFEDSA-N 1 1 347.459 0.641 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1c[nH]c(C#N)c1)CC2 ZINC001268043382 839192258 /nfs/dbraw/zinc/19/22/58/839192258.db2.gz IIVHGGQDLMSZBM-UHFFFAOYSA-N 1 1 339.399 0.174 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC2(C[NH+](CC(=O)NC3CC3)C2)CC1 ZINC001268043111 839192667 /nfs/dbraw/zinc/19/26/67/839192667.db2.gz BULTXNDRRKWUBT-QGZVFWFLSA-N 1 1 335.448 0.517 20 30 ECEDMO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001268063168 839248162 /nfs/dbraw/zinc/24/81/62/839248162.db2.gz IENAOCXCDUEXJH-PBHICJAKSA-N 1 1 347.463 0.876 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000427734946 210214262 /nfs/dbraw/zinc/21/42/62/210214262.db2.gz GRCAOFDESWMTBP-UHFFFAOYSA-N 1 1 332.379 0.933 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343913435 282395251 /nfs/dbraw/zinc/39/52/51/282395251.db2.gz UMSFHUWAXRUOSG-MRXNPFEDSA-N 1 1 328.416 0.792 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343913435 282395256 /nfs/dbraw/zinc/39/52/56/282395256.db2.gz UMSFHUWAXRUOSG-MRXNPFEDSA-N 1 1 328.416 0.792 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000102963065 219244194 /nfs/dbraw/zinc/24/41/94/219244194.db2.gz SSVOKHFACGVGFS-UHFFFAOYSA-N 1 1 336.367 0.720 20 30 ECEDMO N#Cc1ccc(O[C@H]2CCN(C(=O)NCC(F)(F)C[NH3+])C2)nc1 ZINC000418519860 283183306 /nfs/dbraw/zinc/18/33/06/283183306.db2.gz BUHHVUVMEOJBTO-NSHDSACASA-N 1 1 325.319 0.710 20 30 ECEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000187823299 236309848 /nfs/dbraw/zinc/30/98/48/236309848.db2.gz LLYUMFCJCFHPEG-CYBMUJFWSA-N 1 1 344.415 0.800 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000187823299 236309849 /nfs/dbraw/zinc/30/98/49/236309849.db2.gz LLYUMFCJCFHPEG-CYBMUJFWSA-N 1 1 344.415 0.800 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041672519 781961292 /nfs/dbraw/zinc/96/12/92/781961292.db2.gz CUKJWTPTNPBMOY-WOSRLPQWSA-N 1 1 341.839 0.696 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041672519 781961300 /nfs/dbraw/zinc/96/13/00/781961300.db2.gz CUKJWTPTNPBMOY-WOSRLPQWSA-N 1 1 341.839 0.696 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@H](O)COCCOC(C)C ZINC000265275085 247361181 /nfs/dbraw/zinc/36/11/81/247361181.db2.gz VOWHDRQWOHPYPU-INIZCTEOSA-N 1 1 328.453 0.921 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+](C)C[C@H](O)COCCOC(C)C ZINC000265275085 247361183 /nfs/dbraw/zinc/36/11/83/247361183.db2.gz VOWHDRQWOHPYPU-INIZCTEOSA-N 1 1 328.453 0.921 20 30 ECEDMO COCCOC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000450338588 211321639 /nfs/dbraw/zinc/32/16/39/211321639.db2.gz LKOYWPAQPOVKEB-HNNXBMFYSA-N 1 1 337.395 0.843 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000268669487 252121966 /nfs/dbraw/zinc/12/19/66/252121966.db2.gz NCYCGZRALCQZAZ-UHFFFAOYSA-N 1 1 343.427 0.935 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000374413745 285051888 /nfs/dbraw/zinc/05/18/88/285051888.db2.gz DXDQIKIEZMESFW-RDBSUJKOSA-N 1 1 330.454 0.166 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000330205037 285057061 /nfs/dbraw/zinc/05/70/61/285057061.db2.gz CCVHVRVGZLJMSS-CABCVRRESA-N 1 1 341.452 0.939 20 30 ECEDMO COC(=O)[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411909758 208164684 /nfs/dbraw/zinc/16/46/84/208164684.db2.gz RQUXENIPTVWLSX-JKSUJKDBSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@H]1CN(C)CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000411909758 208164691 /nfs/dbraw/zinc/16/46/91/208164691.db2.gz RQUXENIPTVWLSX-JKSUJKDBSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@H]1CN(C)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000411909758 208164696 /nfs/dbraw/zinc/16/46/96/208164696.db2.gz RQUXENIPTVWLSX-JKSUJKDBSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411921813 208169946 /nfs/dbraw/zinc/16/99/46/208169946.db2.gz SMBZCHMBGDYUJB-AWEZNQCLSA-N 1 1 330.388 0.533 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)COc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000413916691 208376425 /nfs/dbraw/zinc/37/64/25/208376425.db2.gz JEKUDCHUNAVKQC-CQSZACIVSA-N 1 1 331.372 0.500 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000293280095 254580608 /nfs/dbraw/zinc/58/06/08/254580608.db2.gz YKRJNUSPQYFBKO-UHFFFAOYSA-N 1 1 327.428 0.821 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)nn1CCC#N ZINC000293497916 254581297 /nfs/dbraw/zinc/58/12/97/254581297.db2.gz LYTGQRYQLURKEU-BETUJISGSA-N 1 1 332.408 0.595 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)nn1CCC#N ZINC000293497916 254581299 /nfs/dbraw/zinc/58/12/99/254581299.db2.gz LYTGQRYQLURKEU-BETUJISGSA-N 1 1 332.408 0.595 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000293416972 254581589 /nfs/dbraw/zinc/58/15/89/254581589.db2.gz IJQUQPRUVYQPCN-UHFFFAOYSA-N 1 1 329.400 0.593 20 30 ECEDMO C[C@H](CO)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000284835358 254560433 /nfs/dbraw/zinc/56/04/33/254560433.db2.gz QQTAROAOWZIWQA-PBHICJAKSA-N 1 1 348.422 0.847 20 30 ECEDMO COC[C@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[C@@H]1CCCO1 ZINC000331235725 254651690 /nfs/dbraw/zinc/65/16/90/254651690.db2.gz KIHHCXJCAFCMQC-QPSCCSFWSA-N 1 1 329.441 0.481 20 30 ECEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(=O)NCC#N ZINC000377036394 254756425 /nfs/dbraw/zinc/75/64/25/254756425.db2.gz ZABILIFTSHLVNU-INIZCTEOSA-N 1 1 343.431 0.790 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H](CO)C2)CC1 ZINC000420938426 254776815 /nfs/dbraw/zinc/77/68/15/254776815.db2.gz KTWQCQTVPUVIKP-IXDOHACOSA-N 1 1 336.480 0.629 20 30 ECEDMO CC(C[C@H]1COCCN1C(=O)OC(C)(C)C)N=NC1=[NH+]CCN1 ZINC000496399145 255096449 /nfs/dbraw/zinc/09/64/49/255096449.db2.gz MOXBGSDTOKSUGO-LBPRGKRZSA-N 1 1 325.413 0.937 20 30 ECEDMO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN2CCN(C)CC2)C1 ZINC000328724393 285262149 /nfs/dbraw/zinc/26/21/49/285262149.db2.gz SSOLYGVFCOYRAR-HZPDHXFCSA-N 1 1 325.501 0.858 20 30 ECEDMO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN2CCN(C)CC2)C1 ZINC000328724393 285262152 /nfs/dbraw/zinc/26/21/52/285262152.db2.gz SSOLYGVFCOYRAR-HZPDHXFCSA-N 1 1 325.501 0.858 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188821610 165002303 /nfs/dbraw/zinc/00/23/03/165002303.db2.gz OXTFQSKEOULIFN-LBPRGKRZSA-N 1 1 346.431 0.321 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188821610 165002304 /nfs/dbraw/zinc/00/23/04/165002304.db2.gz OXTFQSKEOULIFN-LBPRGKRZSA-N 1 1 346.431 0.321 20 30 ECEDMO COCC[NH+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000192599554 165043154 /nfs/dbraw/zinc/04/31/54/165043154.db2.gz JLEWSQHKWRCJMW-KRWDZBQOSA-N 1 1 328.416 0.928 20 30 ECEDMO COCCCC[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000419379622 209073839 /nfs/dbraw/zinc/07/38/39/209073839.db2.gz FPDWCFVLWVQWKN-UHFFFAOYSA-N 1 1 349.435 0.862 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000491164636 421164460 /nfs/dbraw/zinc/16/44/60/421164460.db2.gz DBTPCRMEKVUPEU-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000491164636 421164466 /nfs/dbraw/zinc/16/44/66/421164466.db2.gz DBTPCRMEKVUPEU-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@@H](O)CCOC(C)C)CC2)c1C#N ZINC000349893027 269927338 /nfs/dbraw/zinc/92/73/38/269927338.db2.gz MZLLBPLRJQBDDD-HNNXBMFYSA-N 1 1 335.452 0.898 20 30 ECEDMO CC(C)(C(N)=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000266848532 263179436 /nfs/dbraw/zinc/17/94/36/263179436.db2.gz BTYAOJKORAYHLQ-HNNXBMFYSA-N 1 1 346.431 0.179 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000529159819 270008165 /nfs/dbraw/zinc/00/81/65/270008165.db2.gz IJLCKHIZSDJGRZ-INIZCTEOSA-N 1 1 337.383 0.981 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000529133424 270008224 /nfs/dbraw/zinc/00/82/24/270008224.db2.gz TVIWUVBPSUYRJG-UHFFFAOYSA-N 1 1 327.392 0.454 20 30 ECEDMO C[NH+](C)CCN(C(=O)Cc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000531570661 270008248 /nfs/dbraw/zinc/00/82/48/270008248.db2.gz JKBDEIWXKWLNFJ-MRXNPFEDSA-N 1 1 349.456 0.678 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cncc(C#N)c2)CCCO1 ZINC000290107777 267051942 /nfs/dbraw/zinc/05/19/42/267051942.db2.gz JJKCMWFUONOROS-CYBMUJFWSA-N 1 1 338.433 0.732 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000362930754 267381249 /nfs/dbraw/zinc/38/12/49/267381249.db2.gz GKNHXPHFQSRZSV-HUUCEWRRSA-N 1 1 342.399 0.785 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296299222 267382955 /nfs/dbraw/zinc/38/29/55/267382955.db2.gz VYIAXKQJQGGVRD-HNNXBMFYSA-N 1 1 344.415 0.768 20 30 ECEDMO N#Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1F ZINC000321505512 268015976 /nfs/dbraw/zinc/01/59/76/268015976.db2.gz BDURDXGFXVOOCD-CHWSQXEVSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1ccc(F)c(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000341308131 268102783 /nfs/dbraw/zinc/10/27/83/268102783.db2.gz CFIRMJNBMPVPSM-HNNXBMFYSA-N 1 1 347.394 0.836 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000336883018 268178759 /nfs/dbraw/zinc/17/87/59/268178759.db2.gz XYNNBTYVTKJDMQ-CRAIPNDOSA-N 1 1 329.400 0.900 20 30 ECEDMO N#Cc1ccnc(N2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)c1 ZINC000331909656 268294243 /nfs/dbraw/zinc/29/42/43/268294243.db2.gz XUPMOIPERWXUOX-HNNXBMFYSA-N 1 1 329.404 0.059 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000520818418 269655362 /nfs/dbraw/zinc/65/53/62/269655362.db2.gz LPOVXHHDHSLNSN-UHFFFAOYSA-N 1 1 336.342 0.730 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CCc2ccccc21)NC[C@@H]1CN2CCN1CC2 ZINC000179204728 275733176 /nfs/dbraw/zinc/73/31/76/275733176.db2.gz TWXUWRQWZJQUQN-DLBZAZTESA-N 1 1 327.476 0.881 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000270830797 276134980 /nfs/dbraw/zinc/13/49/80/276134980.db2.gz CONSRMAAOIQFOC-LBPRGKRZSA-N 1 1 335.408 0.011 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 ZINC000376328796 276894510 /nfs/dbraw/zinc/89/45/10/276894510.db2.gz VUQPCQORKHQJSJ-GXTWGEPZSA-N 1 1 327.450 0.465 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC001041720162 782050444 /nfs/dbraw/zinc/05/04/44/782050444.db2.gz LRDCFJZRSZBZPG-SFHVURJKSA-N 1 1 346.431 0.198 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(COC)CC2)CC1 ZINC000330717931 437597302 /nfs/dbraw/zinc/59/73/02/437597302.db2.gz VICUYMVBOWGHPR-UHFFFAOYSA-N 1 1 326.441 0.469 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)S(C)(=O)=O)C2)C1 ZINC001041720961 782051514 /nfs/dbraw/zinc/05/15/14/782051514.db2.gz YWVJIBCNWGRHCB-MRXNPFEDSA-N 1 1 326.462 0.757 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000421004308 280134299 /nfs/dbraw/zinc/13/42/99/280134299.db2.gz NYXGFIVXLVDEJB-IRXDYDNUSA-N 1 1 335.496 0.705 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000092618541 280134403 /nfs/dbraw/zinc/13/44/03/280134403.db2.gz DOQGBYFSXDWIKM-XHSDSOJGSA-N 1 1 349.479 0.265 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000330745653 437605577 /nfs/dbraw/zinc/60/55/77/437605577.db2.gz RQQGGAJAOAISQP-KBPBESRZSA-N 1 1 336.436 0.926 20 30 ECEDMO CC[C@]1(CO)CCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000189645533 437607254 /nfs/dbraw/zinc/60/72/54/437607254.db2.gz LIIBBJPDVBDDFV-FUHWJXTLSA-N 1 1 336.480 0.916 20 30 ECEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330761059 437608622 /nfs/dbraw/zinc/60/86/22/437608622.db2.gz NFKGYVXGTXMLML-HUUCEWRRSA-N 1 1 332.466 0.440 20 30 ECEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C1 ZINC000340219790 437608784 /nfs/dbraw/zinc/60/87/84/437608784.db2.gz KSMMLNYVUFAYIN-RRFJBIMHSA-N 1 1 328.453 0.632 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)CCSC1 ZINC000328720981 289398362 /nfs/dbraw/zinc/39/83/62/289398362.db2.gz QYFDPFOZUJSOLE-YPMHNXCESA-N 1 1 335.495 0.457 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000069858874 435972509 /nfs/dbraw/zinc/97/25/09/435972509.db2.gz OGEOWFIJRNZXAD-QGZVFWFLSA-N 1 1 347.463 0.687 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000069858874 435972516 /nfs/dbraw/zinc/97/25/16/435972516.db2.gz OGEOWFIJRNZXAD-QGZVFWFLSA-N 1 1 347.463 0.687 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](CCOc2ccc(OC)cc2)CC1 ZINC000022945899 436122055 /nfs/dbraw/zinc/12/20/55/436122055.db2.gz BTQZLOWACMIWHX-UHFFFAOYSA-N 1 1 331.416 0.441 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(NC(=O)C(C)C)CC2)CC1 ZINC000081665574 436351948 /nfs/dbraw/zinc/35/19/48/436351948.db2.gz WFHUVJHREYTZAS-UHFFFAOYSA-N 1 1 334.464 0.000 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000079977527 436310691 /nfs/dbraw/zinc/31/06/91/436310691.db2.gz YEJMLPDOEVCASE-LSDHHAIUSA-N 1 1 343.493 0.837 20 30 ECEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@@H](O)CN1CCOCC1 ZINC000083244434 436369258 /nfs/dbraw/zinc/36/92/58/436369258.db2.gz XIBINNCFBYSLDU-QGZVFWFLSA-N 1 1 346.431 0.512 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)CC1 ZINC000091080714 436441592 /nfs/dbraw/zinc/44/15/92/436441592.db2.gz KUJXYJQEWGGSBO-INIZCTEOSA-N 1 1 329.448 0.941 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000091218243 436445661 /nfs/dbraw/zinc/44/56/61/436445661.db2.gz BZQNQUMFUHCZLE-OAHLLOKOSA-N 1 1 341.477 0.693 20 30 ECEDMO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000091575594 436455673 /nfs/dbraw/zinc/45/56/73/436455673.db2.gz TYXAZIFTQKXIAZ-JKSUJKDBSA-N 1 1 349.479 0.137 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)o1 ZINC000089937447 436422296 /nfs/dbraw/zinc/42/22/96/436422296.db2.gz IQJAPEWQHRJPFW-CYBMUJFWSA-N 1 1 349.460 0.941 20 30 ECEDMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052799677 436517365 /nfs/dbraw/zinc/51/73/65/436517365.db2.gz MDFRAJLYCZUEOU-ZDUSSCGKSA-N 1 1 329.404 0.914 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000053220315 436527340 /nfs/dbraw/zinc/52/73/40/436527340.db2.gz LLNGRBHNFLJPBG-AWEZNQCLSA-N 1 1 344.481 0.542 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000053220315 436527342 /nfs/dbraw/zinc/52/73/42/436527342.db2.gz LLNGRBHNFLJPBG-AWEZNQCLSA-N 1 1 344.481 0.542 20 30 ECEDMO CCS(=O)(=O)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000097029211 436535381 /nfs/dbraw/zinc/53/53/81/436535381.db2.gz UNHITAUCXJQCBB-UHFFFAOYSA-N 1 1 337.445 0.883 20 30 ECEDMO C=CCSCCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000109396926 436624730 /nfs/dbraw/zinc/62/47/30/436624730.db2.gz NFZINJDHLLSEOO-UHFFFAOYSA-N 1 1 328.482 0.757 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(C#N)CC3)CC2)o1 ZINC000057875860 436617397 /nfs/dbraw/zinc/61/73/97/436617397.db2.gz XVMSZQWOVJLTEE-UHFFFAOYSA-N 1 1 342.403 0.739 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000112701083 436633672 /nfs/dbraw/zinc/63/36/72/436633672.db2.gz IJPRVMVDTHDWCS-ZDUSSCGKSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000112701083 436633674 /nfs/dbraw/zinc/63/36/74/436633674.db2.gz IJPRVMVDTHDWCS-ZDUSSCGKSA-N 1 1 338.452 0.873 20 30 ECEDMO N#CCC1(O)CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000193979653 436656060 /nfs/dbraw/zinc/65/60/60/436656060.db2.gz GCFCFIDFDYCXRK-UHFFFAOYSA-N 1 1 328.416 0.291 20 30 ECEDMO CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000066666098 436694047 /nfs/dbraw/zinc/69/40/47/436694047.db2.gz DSRNDJBLNYCPNC-RDJZCZTQSA-N 1 1 331.416 0.949 20 30 ECEDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000066666098 436694048 /nfs/dbraw/zinc/69/40/48/436694048.db2.gz DSRNDJBLNYCPNC-RDJZCZTQSA-N 1 1 331.416 0.949 20 30 ECEDMO C#CC[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000271699356 436694756 /nfs/dbraw/zinc/69/47/56/436694756.db2.gz MCRAYIIDNYNGRG-ZDUSSCGKSA-N 1 1 340.383 0.203 20 30 ECEDMO C=CCNC(=O)CNC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000271976458 436699584 /nfs/dbraw/zinc/69/95/84/436699584.db2.gz ODXXTFVAYBEPKB-UHFFFAOYSA-N 1 1 328.376 0.677 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000120893395 436701104 /nfs/dbraw/zinc/70/11/04/436701104.db2.gz USSMSQSYPUGAPQ-ZDUSSCGKSA-N 1 1 330.388 0.581 20 30 ECEDMO COC(=O)[C@@]1(NCC(=O)NCC#N)CCC[N@H+](Cc2ccccc2)C1 ZINC000121087586 436707340 /nfs/dbraw/zinc/70/73/40/436707340.db2.gz CWZJSMMQUMSPNV-GOSISDBHSA-N 1 1 344.415 0.424 20 30 ECEDMO COC(=O)[C@@]1(NCC(=O)NCC#N)CCC[N@@H+](Cc2ccccc2)C1 ZINC000121087586 436707343 /nfs/dbraw/zinc/70/73/43/436707343.db2.gz CWZJSMMQUMSPNV-GOSISDBHSA-N 1 1 344.415 0.424 20 30 ECEDMO C=CC[N@@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000121340877 436713348 /nfs/dbraw/zinc/71/33/48/436713348.db2.gz VUIVMEXNZKURQA-UHFFFAOYSA-N 1 1 329.408 0.130 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000119403914 436667677 /nfs/dbraw/zinc/66/76/77/436667677.db2.gz IWNMZYLLBNBEDY-OLZOCXBDSA-N 1 1 337.424 0.284 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000119797646 436673243 /nfs/dbraw/zinc/67/32/43/436673243.db2.gz ULCDGALFTWQSRW-UHFFFAOYSA-N 1 1 325.438 0.765 20 30 ECEDMO N#CCOc1cccc(CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000270466259 436673625 /nfs/dbraw/zinc/67/36/25/436673625.db2.gz GOYYUTGTCQWGGK-MRXNPFEDSA-N 1 1 344.415 0.587 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000272874166 436724605 /nfs/dbraw/zinc/72/46/05/436724605.db2.gz PHYVXMZJBNJQOL-LBPRGKRZSA-N 1 1 346.474 0.846 20 30 ECEDMO CC(C)CNC(=O)NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153271474 436751920 /nfs/dbraw/zinc/75/19/20/436751920.db2.gz ZRWAWFIBZOBUFA-UHFFFAOYSA-N 1 1 335.412 0.210 20 30 ECEDMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000153784590 436763595 /nfs/dbraw/zinc/76/35/95/436763595.db2.gz SKQVIDHHKXFEMV-GFCCVEGCSA-N 1 1 346.435 0.906 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC000272482469 436717810 /nfs/dbraw/zinc/71/78/10/436717810.db2.gz RWXQQDNPFFIHDU-GDBMZVCRSA-N 1 1 326.400 0.841 20 30 ECEDMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156722420 436819480 /nfs/dbraw/zinc/81/94/80/436819480.db2.gz LAODWYOOPAPKKW-JSGCOSHPSA-N 1 1 335.429 0.918 20 30 ECEDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156722420 436819482 /nfs/dbraw/zinc/81/94/82/436819482.db2.gz LAODWYOOPAPKKW-JSGCOSHPSA-N 1 1 335.429 0.918 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cn3ccccc3[nH+]2)c1=O ZINC000248020308 436799114 /nfs/dbraw/zinc/79/91/14/436799114.db2.gz UNTONJBFHZKYTG-UHFFFAOYSA-N 1 1 339.355 0.240 20 30 ECEDMO CCc1[nH+]ccn1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000158402106 436844379 /nfs/dbraw/zinc/84/43/79/436844379.db2.gz KGEJUUKYCLLLNK-UHFFFAOYSA-N 1 1 328.376 0.962 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000293282861 436863134 /nfs/dbraw/zinc/86/31/34/436863134.db2.gz YMZKLHRSCCLAAL-UHFFFAOYSA-N 1 1 335.354 0.862 20 30 ECEDMO C#CCOCCC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000132867221 436870161 /nfs/dbraw/zinc/87/01/61/436870161.db2.gz PUCKATXKLAGJMM-UHFFFAOYSA-N 1 1 335.448 0.429 20 30 ECEDMO C#CC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000292848540 436832635 /nfs/dbraw/zinc/83/26/35/436832635.db2.gz RBLFUXRGZMVUDN-UHFFFAOYSA-N 1 1 326.378 0.609 20 30 ECEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC(N2CCCNC2=O)CC1)C1CC1 ZINC000135444214 436917404 /nfs/dbraw/zinc/91/74/04/436917404.db2.gz LBMBVLMQBYCICS-QGZVFWFLSA-N 1 1 333.436 0.675 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000293910469 436917830 /nfs/dbraw/zinc/91/78/30/436917830.db2.gz FZCDHGMHZNWTDF-SFHVURJKSA-N 1 1 329.444 0.959 20 30 ECEDMO C=CCOCCN1CC[N@H+](CCOCC=C)C[C@H]1C(=O)N(C)C ZINC000293753996 436905986 /nfs/dbraw/zinc/90/59/86/436905986.db2.gz JCLMHLGJKKAUFT-INIZCTEOSA-N 1 1 325.453 0.466 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162556968 436906923 /nfs/dbraw/zinc/90/69/23/436906923.db2.gz OEJYHTNZQPGBJG-MRXNPFEDSA-N 1 1 336.480 0.649 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000162471238 436907245 /nfs/dbraw/zinc/90/72/45/436907245.db2.gz XAEKGWGUTVUEBY-YJBOKZPZSA-N 1 1 347.463 0.033 20 30 ECEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)cn2)C1 ZINC000294778634 436959704 /nfs/dbraw/zinc/95/97/04/436959704.db2.gz NSPHJTGSEFLAIQ-UONOGXRCSA-N 1 1 327.388 0.834 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000172735895 437027425 /nfs/dbraw/zinc/02/74/25/437027425.db2.gz YGZJDVHDSMCFMH-INIZCTEOSA-N 1 1 332.379 0.677 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000172735895 437027427 /nfs/dbraw/zinc/02/74/27/437027427.db2.gz YGZJDVHDSMCFMH-INIZCTEOSA-N 1 1 332.379 0.677 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000172766513 437029377 /nfs/dbraw/zinc/02/93/77/437029377.db2.gz KKKMLNQMPLJQOP-KRWDZBQOSA-N 1 1 328.416 0.928 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000172766513 437029379 /nfs/dbraw/zinc/02/93/79/437029379.db2.gz KKKMLNQMPLJQOP-KRWDZBQOSA-N 1 1 328.416 0.928 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000281734130 436994280 /nfs/dbraw/zinc/99/42/80/436994280.db2.gz GSIRHUKJMHMBLN-UHFFFAOYSA-N 1 1 341.437 0.696 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000296730156 436999085 /nfs/dbraw/zinc/99/90/85/436999085.db2.gz CQWKAUSMHFCXEG-QGZVFWFLSA-N 1 1 349.431 0.992 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)nn1CCC#N ZINC000275721216 437005298 /nfs/dbraw/zinc/00/52/98/437005298.db2.gz RZZBCHIZFQCAQI-CQSZACIVSA-N 1 1 346.435 0.844 20 30 ECEDMO C#CCOc1cccc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000264579568 437049083 /nfs/dbraw/zinc/04/90/83/437049083.db2.gz XNERDRKGLSRSDM-UHFFFAOYSA-N 1 1 344.415 0.984 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)Cc3cccc(C#N)c3)[C@@H]2C1 ZINC000285197758 437076555 /nfs/dbraw/zinc/07/65/55/437076555.db2.gz VRKPIYNFMWYHGF-CVEARBPZSA-N 1 1 335.429 0.793 20 30 ECEDMO CNC(=O)C[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000286224107 437089022 /nfs/dbraw/zinc/08/90/22/437089022.db2.gz SXUBWBLMJOKGLP-UHFFFAOYSA-N 1 1 332.364 0.671 20 30 ECEDMO CCn1cc(C#N)c(=O)n(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1=O ZINC000303384884 437155365 /nfs/dbraw/zinc/15/53/65/437155365.db2.gz VGNFKTBCXDCMFX-INIZCTEOSA-N 1 1 342.399 0.394 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCn2cnc(C#N)n2)C1 ZINC000287122612 437163326 /nfs/dbraw/zinc/16/33/26/437163326.db2.gz ZFUHPEQXOKVXDU-AWEZNQCLSA-N 1 1 333.440 0.817 20 30 ECEDMO N#Cc1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000265384889 437118285 /nfs/dbraw/zinc/11/82/85/437118285.db2.gz SBVFQPRIJUCYSL-JKSUJKDBSA-N 1 1 335.429 0.146 20 30 ECEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000265385141 437119610 /nfs/dbraw/zinc/11/96/10/437119610.db2.gz ADZDKUXUVIKLCX-WPCFGXOUSA-N 1 1 334.420 0.894 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000265832434 437198334 /nfs/dbraw/zinc/19/83/34/437198334.db2.gz LEXAJUKHVFJEED-ZDUSSCGKSA-N 1 1 339.417 0.569 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000265832434 437198336 /nfs/dbraw/zinc/19/83/36/437198336.db2.gz LEXAJUKHVFJEED-ZDUSSCGKSA-N 1 1 339.417 0.569 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000332054588 437201965 /nfs/dbraw/zinc/20/19/65/437201965.db2.gz WYAMNCVVMMYMSR-DOMZBBRYSA-N 1 1 327.450 0.879 20 30 ECEDMO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000332054588 437201970 /nfs/dbraw/zinc/20/19/70/437201970.db2.gz WYAMNCVVMMYMSR-DOMZBBRYSA-N 1 1 327.450 0.879 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000265982930 437217923 /nfs/dbraw/zinc/21/79/23/437217923.db2.gz CBJBNJLUEUMAMA-SFHVURJKSA-N 1 1 342.443 0.829 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000265982930 437217927 /nfs/dbraw/zinc/21/79/27/437217927.db2.gz CBJBNJLUEUMAMA-SFHVURJKSA-N 1 1 342.443 0.829 20 30 ECEDMO NS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000328687676 437252615 /nfs/dbraw/zinc/25/26/15/437252615.db2.gz ZHJWXDDNDWTPPG-UONOGXRCSA-N 1 1 344.481 0.670 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CSC2(C)C)CC1 ZINC000328710114 437254194 /nfs/dbraw/zinc/25/41/94/437254194.db2.gz BPSBJDGOKFVEBX-GFCCVEGCSA-N 1 1 328.482 0.890 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000266855976 437257255 /nfs/dbraw/zinc/25/72/55/437257255.db2.gz SGLUXJGWUXTVIV-WPCFGXOUSA-N 1 1 334.420 0.894 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000278326343 437304420 /nfs/dbraw/zinc/30/44/20/437304420.db2.gz NWPBLFIFAWGMKK-HOTGVXAUSA-N 1 1 326.437 0.533 20 30 ECEDMO CCC[C@H]1CN(S(=O)(=O)N(CC)CCC#N)CC[N@@H+]1CCOC ZINC000336931337 437313607 /nfs/dbraw/zinc/31/36/07/437313607.db2.gz BPRHDDYIOSSRCC-HNNXBMFYSA-N 1 1 346.497 0.899 20 30 ECEDMO CCC[C@H]1CN(S(=O)(=O)N(CC)CCC#N)CC[N@H+]1CCOC ZINC000336931337 437313611 /nfs/dbraw/zinc/31/36/11/437313611.db2.gz BPRHDDYIOSSRCC-HNNXBMFYSA-N 1 1 346.497 0.899 20 30 ECEDMO C[N@@H+](CCNC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)C1CC1 ZINC000329081641 437314935 /nfs/dbraw/zinc/31/49/35/437314935.db2.gz RUTDZGXFIBTWEA-QGZVFWFLSA-N 1 1 338.452 0.444 20 30 ECEDMO C[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)n1cnc(C#N)n1 ZINC000336985091 437319434 /nfs/dbraw/zinc/31/94/34/437319434.db2.gz GZUUJKUHNAVNJD-GJZGRUSLSA-N 1 1 345.451 0.339 20 30 ECEDMO COC[C@H](C)OC[C@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000278007454 437271194 /nfs/dbraw/zinc/27/11/94/437271194.db2.gz BGILAXZUKGPCGO-GOEBONIOSA-N 1 1 334.420 0.488 20 30 ECEDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NC[C@]1(O)CCOC1 ZINC000328863902 437274155 /nfs/dbraw/zinc/27/41/55/437274155.db2.gz VZJNDCFYGXTBSK-GOSISDBHSA-N 1 1 349.431 0.674 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000328902753 437281971 /nfs/dbraw/zinc/28/19/71/437281971.db2.gz GZCBLULOSVMGFM-PMPSAXMXSA-N 1 1 338.452 0.359 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000328902753 437281975 /nfs/dbraw/zinc/28/19/75/437281975.db2.gz GZCBLULOSVMGFM-PMPSAXMXSA-N 1 1 338.452 0.359 20 30 ECEDMO C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)CCSC1 ZINC000329252657 437341555 /nfs/dbraw/zinc/34/15/55/437341555.db2.gz YSTJWTDBCLLINW-JSGCOSHPSA-N 1 1 349.522 0.752 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000329306047 437349881 /nfs/dbraw/zinc/34/98/81/437349881.db2.gz PCBNQHPBPZEOFA-AWEZNQCLSA-N 1 1 343.431 0.990 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H](C)S1(=O)=O ZINC000329502617 437376691 /nfs/dbraw/zinc/37/66/91/437376691.db2.gz ALUVRTDMEZPTAB-MBNYWOFBSA-N 1 1 349.522 0.845 20 30 ECEDMO C#Cc1ccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000278892988 437355050 /nfs/dbraw/zinc/35/50/50/437355050.db2.gz IAJAWULOHFAFJR-UHFFFAOYSA-N 1 1 327.428 0.644 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000182672097 437359055 /nfs/dbraw/zinc/35/90/55/437359055.db2.gz OOCZIEWVQJHNEE-OAHLLOKOSA-N 1 1 347.488 0.704 20 30 ECEDMO C=CCNC(=O)CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000181655172 437326942 /nfs/dbraw/zinc/32/69/42/437326942.db2.gz IDOVTRFLEZPUPO-QGZVFWFLSA-N 1 1 330.432 0.394 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000337096956 437331689 /nfs/dbraw/zinc/33/16/89/437331689.db2.gz ROYHVLOUNJHVMN-HNNXBMFYSA-N 1 1 346.497 0.899 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000329197774 437333833 /nfs/dbraw/zinc/33/38/33/437333833.db2.gz ACQQCPPCXLWJRA-HUUCEWRRSA-N 1 1 337.468 0.091 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000337148027 437336555 /nfs/dbraw/zinc/33/65/55/437336555.db2.gz GTEWCCBDSYYRIU-KBPBESRZSA-N 1 1 328.438 0.062 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329226390 437337077 /nfs/dbraw/zinc/33/70/77/437337077.db2.gz HIVAZJBVAHZNRM-CHWSQXEVSA-N 1 1 344.481 0.541 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000337171195 437337689 /nfs/dbraw/zinc/33/76/89/437337689.db2.gz FRANCOHGBZULCK-AWEZNQCLSA-N 1 1 332.470 0.365 20 30 ECEDMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000329713412 437403308 /nfs/dbraw/zinc/40/33/08/437403308.db2.gz RKZVUGCVJGMABZ-TZMCWYRMSA-N 1 1 344.481 0.564 20 30 ECEDMO Cc1nsc(N2CC[NH+](CCCC(=O)NC(N)=O)CC2)c1C#N ZINC000289455823 437412495 /nfs/dbraw/zinc/41/24/95/437412495.db2.gz LNQJTMKFFKZLDT-UHFFFAOYSA-N 1 1 336.421 0.420 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000329861621 437422495 /nfs/dbraw/zinc/42/24/95/437422495.db2.gz XZJZELCFRLXMJK-HUUCEWRRSA-N 1 1 326.441 0.028 20 30 ECEDMO C[C@H](CNC(=O)N1CCO[C@]2(CCOC2)C1)CN1CC[NH+](C)CC1 ZINC000329883375 437425847 /nfs/dbraw/zinc/42/58/47/437425847.db2.gz QYVKNUIIQHKUTF-NVXWUHKLSA-N 1 1 340.468 0.275 20 30 ECEDMO CC[C@H](NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)C(=O)N1CCOCC1 ZINC000329516366 437377942 /nfs/dbraw/zinc/37/79/42/437377942.db2.gz DLFVWUHMBLUKMH-SOUVJXGZSA-N 1 1 338.452 0.564 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000329561269 437383499 /nfs/dbraw/zinc/38/34/99/437383499.db2.gz MPTIMDRUKGLLFX-QEJZJMRPSA-N 1 1 338.452 0.156 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000337969887 437386449 /nfs/dbraw/zinc/38/64/49/437386449.db2.gz LEAHGOYVYRAYRV-CYBMUJFWSA-N 1 1 332.470 0.244 20 30 ECEDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000330231527 437471782 /nfs/dbraw/zinc/47/17/82/437471782.db2.gz WXGZXLDJVXQROI-KCYZZUKISA-N 1 1 341.452 0.625 20 30 ECEDMO CCn1cc(-c2nn(C)cc2C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000330233155 437472328 /nfs/dbraw/zinc/47/23/28/437472328.db2.gz RYDZPBMUEFPTFZ-CQSZACIVSA-N 1 1 345.451 0.854 20 30 ECEDMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@H]2CO)sc2c1CCC2 ZINC000186495103 437475283 /nfs/dbraw/zinc/47/52/83/437475283.db2.gz SKDBKRPHRQHEAP-QWRGUYRKSA-N 1 1 335.429 0.865 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)[C@H](C)[C@H](C)C2=O)C1 ZINC000330257847 437476001 /nfs/dbraw/zinc/47/60/01/437476001.db2.gz LXBUHSQPJGGGEB-HZSPNIEDSA-N 1 1 339.436 0.941 20 30 ECEDMO CCC(=O)N1CC[C@H](NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000329922564 437432593 /nfs/dbraw/zinc/43/25/93/437432593.db2.gz GKXRHPNFOAUQEZ-GJZGRUSLSA-N 1 1 339.484 0.527 20 30 ECEDMO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCOCCC#N)C[C@@H]1O ZINC000339152911 437445401 /nfs/dbraw/zinc/44/54/01/437445401.db2.gz HPAXVBBGLZNGAB-KGLIPLIRSA-N 1 1 327.425 0.235 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000330059041 437448720 /nfs/dbraw/zinc/44/87/20/437448720.db2.gz KIEVJMPOYGCJLI-ZDUSSCGKSA-N 1 1 333.436 0.927 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000330076251 437450768 /nfs/dbraw/zinc/45/07/68/437450768.db2.gz MFFPLYVNOYHBBU-NVXWUHKLSA-N 1 1 348.447 0.925 20 30 ECEDMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000330107503 437455458 /nfs/dbraw/zinc/45/54/58/437455458.db2.gz MFOUDFNEWMVWCT-CTASWTNQSA-N 1 1 337.420 0.301 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@]2(CCCOC2)O1 ZINC000330146032 437460227 /nfs/dbraw/zinc/46/02/27/437460227.db2.gz HSRAPLOJZHGDLI-INMHGKMJSA-N 1 1 340.468 0.416 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@]3(CC[N@@H+](C)C3)C1)CC2 ZINC000330162953 437461326 /nfs/dbraw/zinc/46/13/26/437461326.db2.gz AOIHUAOZWVMECR-CXAGYDPISA-N 1 1 348.451 0.681 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@]3(CC[N@H+](C)C3)C1)CC2 ZINC000330162953 437461332 /nfs/dbraw/zinc/46/13/32/437461332.db2.gz AOIHUAOZWVMECR-CXAGYDPISA-N 1 1 348.451 0.681 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@]3(CC[N@@H+](C)C3)C1)CC2 ZINC000330162953 437461334 /nfs/dbraw/zinc/46/13/34/437461334.db2.gz AOIHUAOZWVMECR-CXAGYDPISA-N 1 1 348.451 0.681 20 30 ECEDMO C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000290077083 437461433 /nfs/dbraw/zinc/46/14/33/437461433.db2.gz ONDUDEUNCPJGMX-HIFRSBDPSA-N 1 1 347.415 0.681 20 30 ECEDMO Cn1cc(N2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC000330176888 437464591 /nfs/dbraw/zinc/46/45/91/437464591.db2.gz COTLEHYMUXALRO-ZDUSSCGKSA-N 1 1 329.408 0.668 20 30 ECEDMO COC(=O)[C@]1(C)CN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000330403580 437502792 /nfs/dbraw/zinc/50/27/92/437502792.db2.gz VNHCQRMVDAGCCE-CKEIUWERSA-N 1 1 341.452 1.000 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290642606 437511122 /nfs/dbraw/zinc/51/11/22/437511122.db2.gz BGNBDSPWDSJZRE-UHFFFAOYSA-N 1 1 336.367 0.720 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330444537 437512473 /nfs/dbraw/zinc/51/24/73/437512473.db2.gz CMJLLJWEKYGJET-OLZOCXBDSA-N 1 1 330.454 0.008 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330444537 437512476 /nfs/dbraw/zinc/51/24/76/437512476.db2.gz CMJLLJWEKYGJET-OLZOCXBDSA-N 1 1 330.454 0.008 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000330478046 437524462 /nfs/dbraw/zinc/52/44/62/437524462.db2.gz NCMKHZQZUXUROU-CVEARBPZSA-N 1 1 340.468 0.858 20 30 ECEDMO CNC(=O)NCC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000330499927 437530661 /nfs/dbraw/zinc/53/06/61/437530661.db2.gz LVRYECJWSUIMLB-UHFFFAOYSA-N 1 1 337.424 0.753 20 30 ECEDMO C[C@@H]1C[N@H+](CCCNC(=O)c2coc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000330505879 437532787 /nfs/dbraw/zinc/53/27/87/437532787.db2.gz BZXVMBJXCOWTOL-PHIMTYICSA-N 1 1 345.421 0.731 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cccc(C#N)c2)CC1=O ZINC000354136200 437539377 /nfs/dbraw/zinc/53/93/77/437539377.db2.gz AWWMXBXNUKPTQK-MRXNPFEDSA-N 1 1 344.415 0.467 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000330577510 437556773 /nfs/dbraw/zinc/55/67/73/437556773.db2.gz RTKVUCXQZTYNOI-KRWDZBQOSA-N 1 1 336.436 0.198 20 30 ECEDMO C[NH+]1CCN(CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000189102366 437584636 /nfs/dbraw/zinc/58/46/36/437584636.db2.gz FMUMXUFVFQZCPF-UHFFFAOYSA-N 1 1 344.387 0.362 20 30 ECEDMO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000330834226 437628286 /nfs/dbraw/zinc/62/82/86/437628286.db2.gz ZOUFVOJSVLAAJO-GFCCVEGCSA-N 1 1 337.424 0.963 20 30 ECEDMO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000330834226 437628290 /nfs/dbraw/zinc/62/82/90/437628290.db2.gz ZOUFVOJSVLAAJO-GFCCVEGCSA-N 1 1 337.424 0.963 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000354857737 437655298 /nfs/dbraw/zinc/65/52/98/437655298.db2.gz VVEHZRXHWARBTA-UHFFFAOYSA-N 1 1 339.403 0.990 20 30 ECEDMO C=CCOC[C@H](NCc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)OC ZINC000361105867 437655893 /nfs/dbraw/zinc/65/58/93/437655893.db2.gz DCTODWPUIYTBFN-HNNXBMFYSA-N 1 1 349.435 0.062 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292094751 437658778 /nfs/dbraw/zinc/65/87/78/437658778.db2.gz FVGICAZBKBBFBU-SMDDNHRTSA-N 1 1 343.387 0.783 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292094751 437658782 /nfs/dbraw/zinc/65/87/82/437658782.db2.gz FVGICAZBKBBFBU-SMDDNHRTSA-N 1 1 343.387 0.783 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000355141595 437676569 /nfs/dbraw/zinc/67/65/69/437676569.db2.gz VCUBRPJUUGRKPW-OAHLLOKOSA-N 1 1 334.464 0.496 20 30 ECEDMO CO[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@@H]1OC ZINC000331102914 437690548 /nfs/dbraw/zinc/69/05/48/437690548.db2.gz GTQZMQSZJJYQOI-OAGGEKHMSA-N 1 1 338.452 0.024 20 30 ECEDMO CO[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@@H]1OC ZINC000331102914 437690553 /nfs/dbraw/zinc/69/05/53/437690553.db2.gz GTQZMQSZJJYQOI-OAGGEKHMSA-N 1 1 338.452 0.024 20 30 ECEDMO C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1 ZINC000331143516 437697497 /nfs/dbraw/zinc/69/74/97/437697497.db2.gz XWGDPGRALAXMTJ-ZIAGYGMSSA-N 1 1 331.482 0.999 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1 ZINC000331143516 437697502 /nfs/dbraw/zinc/69/75/02/437697502.db2.gz XWGDPGRALAXMTJ-ZIAGYGMSSA-N 1 1 331.482 0.999 20 30 ECEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CC(=O)NC)CC2)C1 ZINC000331164134 437704339 /nfs/dbraw/zinc/70/43/39/437704339.db2.gz XSXOZBJOZLPDKN-CQSZACIVSA-N 1 1 339.484 0.384 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(=O)n(C)c1=O ZINC000292807235 437724199 /nfs/dbraw/zinc/72/41/99/437724199.db2.gz OHSDUMPWAOKHEL-AWEZNQCLSA-N 1 1 341.371 0.004 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340794637 437734905 /nfs/dbraw/zinc/73/49/05/437734905.db2.gz HZKRREFOEXEXPL-QXSJWSMHSA-N 1 1 335.448 0.827 20 30 ECEDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)CC(=O)NCC#N)CC1 ZINC000344144050 437738169 /nfs/dbraw/zinc/73/81/69/437738169.db2.gz OIYAGHAIUISOCO-LBPRGKRZSA-N 1 1 330.454 0.008 20 30 ECEDMO COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[NH+]1CCC1 ZINC000344569804 437759547 /nfs/dbraw/zinc/75/95/47/437759547.db2.gz QWCDIRVCYFZNPW-UHFFFAOYSA-N 1 1 346.387 0.344 20 30 ECEDMO C=CCCC[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000344594088 437759868 /nfs/dbraw/zinc/75/98/68/437759868.db2.gz FOFXNXJYUOLXPR-GJZGRUSLSA-N 1 1 331.482 0.924 20 30 ECEDMO C=CCNC(=O)CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000346713437 437817723 /nfs/dbraw/zinc/81/77/23/437817723.db2.gz FUCRNTPIIAAACY-UHFFFAOYSA-N 1 1 346.431 0.620 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000364792004 437823696 /nfs/dbraw/zinc/82/36/96/437823696.db2.gz AQEXWUMFQKSXOP-UHFFFAOYSA-N 1 1 325.409 0.658 20 30 ECEDMO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCCSCC#N)C[C@H]1O ZINC000347071432 437825120 /nfs/dbraw/zinc/82/51/20/437825120.db2.gz BGHZXQSVGWENFL-ZIAGYGMSSA-N 1 1 343.493 0.952 20 30 ECEDMO CN(C)c1nc(N2CCN(C(=O)c3cnccc3C#N)CC2)cc[nH+]1 ZINC000345072810 437776390 /nfs/dbraw/zinc/77/63/90/437776390.db2.gz AIOOXCKSTCCGEB-UHFFFAOYSA-N 1 1 337.387 0.772 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000363521183 437795808 /nfs/dbraw/zinc/79/58/08/437795808.db2.gz XOBDNVUQASZIMS-JKSUJKDBSA-N 1 1 335.452 0.479 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000363604577 437799235 /nfs/dbraw/zinc/79/92/35/437799235.db2.gz REGPJKLCIJWQAH-INIZCTEOSA-N 1 1 326.400 0.985 20 30 ECEDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000356988399 437881623 /nfs/dbraw/zinc/88/16/23/437881623.db2.gz QRSUQQGHEGTAPN-CABCVRRESA-N 1 1 338.452 0.612 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000342005679 437939755 /nfs/dbraw/zinc/93/97/55/437939755.db2.gz OQDFGTKZUMBIFV-UHFFFAOYSA-N 1 1 348.447 0.910 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)nn1 ZINC000424660101 437983888 /nfs/dbraw/zinc/98/38/88/437983888.db2.gz UBNPVGBALBXQHO-INIZCTEOSA-N 1 1 334.468 0.856 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425318814 438020530 /nfs/dbraw/zinc/02/05/30/438020530.db2.gz PMHLLFXHZVXWAC-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425393800 438024136 /nfs/dbraw/zinc/02/41/36/438024136.db2.gz DUOMXJYXKMNJFI-UHFFFAOYSA-N 1 1 341.452 0.217 20 30 ECEDMO C=CCn1cc(CNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)nn1 ZINC000425756850 438040418 /nfs/dbraw/zinc/04/04/18/438040418.db2.gz MONDWRPUDGAXLO-CQSZACIVSA-N 1 1 336.440 0.764 20 30 ECEDMO C=CCn1cc(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)nn1 ZINC000425795292 438043302 /nfs/dbraw/zinc/04/33/02/438043302.db2.gz HNTMQROZNSHDGA-UHFFFAOYSA-N 1 1 340.387 0.664 20 30 ECEDMO C=CCn1cc(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)nn1 ZINC000425795292 438043308 /nfs/dbraw/zinc/04/33/08/438043308.db2.gz HNTMQROZNSHDGA-UHFFFAOYSA-N 1 1 340.387 0.664 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000425910432 438048754 /nfs/dbraw/zinc/04/87/54/438048754.db2.gz VVKLYHMBLZMOOB-PMPSAXMXSA-N 1 1 337.464 0.788 20 30 ECEDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000371866871 438003643 /nfs/dbraw/zinc/00/36/43/438003643.db2.gz SENOUDFRMDNORC-LBPRGKRZSA-N 1 1 342.403 0.384 20 30 ECEDMO N#CCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000348590471 438080347 /nfs/dbraw/zinc/08/03/47/438080347.db2.gz WURYOLPIDZYRAT-HNNXBMFYSA-N 1 1 334.420 0.214 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429004561 438096058 /nfs/dbraw/zinc/09/60/58/438096058.db2.gz XKSHFTAEEAAWPY-LLVKDONJSA-N 1 1 330.157 0.851 20 30 ECEDMO CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000430267632 438109408 /nfs/dbraw/zinc/10/94/08/438109408.db2.gz GLHMOJLLPHQJAN-QAPCUYQASA-N 1 1 349.479 0.137 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+](C)CCCC ZINC000357975530 438112789 /nfs/dbraw/zinc/11/27/89/438112789.db2.gz POXCLFUOZFCQJG-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000348957115 438118421 /nfs/dbraw/zinc/11/84/21/438118421.db2.gz ORWRVILFSMKHIZ-AWEZNQCLSA-N 1 1 334.420 0.899 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1(C)C ZINC000373028323 438124855 /nfs/dbraw/zinc/12/48/55/438124855.db2.gz RYQLTVXYVKHQCF-INIZCTEOSA-N 1 1 348.495 0.394 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000358045371 438128449 /nfs/dbraw/zinc/12/84/49/438128449.db2.gz JLVPREUAXBMGDT-SFHVURJKSA-N 1 1 344.415 0.850 20 30 ECEDMO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1=O ZINC000366852146 438136226 /nfs/dbraw/zinc/13/62/26/438136226.db2.gz PHXNYZCMOYXJTE-HOTGVXAUSA-N 1 1 335.448 0.875 20 30 ECEDMO CC[C@@H](CC#N)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000358060252 438136911 /nfs/dbraw/zinc/13/69/11/438136911.db2.gz FFVMZGJJRKNBLO-GJZGRUSLSA-N 1 1 336.436 0.508 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374407757 438206852 /nfs/dbraw/zinc/20/68/52/438206852.db2.gz CVRZDUWBNILMRB-ZDUSSCGKSA-N 1 1 341.437 0.316 20 30 ECEDMO C=CCOCCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000367872055 438260926 /nfs/dbraw/zinc/26/09/26/438260926.db2.gz WKOJRVUQWBOYDS-UHFFFAOYSA-N 1 1 338.452 0.385 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000376346517 438279946 /nfs/dbraw/zinc/27/99/46/438279946.db2.gz GSJMQKLTMQPCLD-SJPCQFCGSA-N 1 1 339.505 0.972 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000358965029 438336951 /nfs/dbraw/zinc/33/69/51/438336951.db2.gz JXDRCDURLJXGRQ-HNNXBMFYSA-N 1 1 327.388 0.332 20 30 ECEDMO N#CCNC(=O)CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000377043050 438300769 /nfs/dbraw/zinc/30/07/69/438300769.db2.gz DIYSTHDDSWITRB-JKSUJKDBSA-N 1 1 341.415 0.542 20 30 ECEDMO C=CCNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000434652315 438311128 /nfs/dbraw/zinc/31/11/28/438311128.db2.gz GGROJEPHCGLMEH-UHFFFAOYSA-N 1 1 344.375 0.588 20 30 ECEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000351896949 438355150 /nfs/dbraw/zinc/35/51/50/438355150.db2.gz JGMIMJPRPSROGE-UHFFFAOYSA-N 1 1 338.496 0.897 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000368687007 438366425 /nfs/dbraw/zinc/36/64/25/438366425.db2.gz ZDFAKBXQKSWNFH-ZIAGYGMSSA-N 1 1 346.435 0.778 20 30 ECEDMO C=CCC[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1=O ZINC000419960807 438378908 /nfs/dbraw/zinc/37/89/08/438378908.db2.gz YGPYREFRSRZLEA-ZIAGYGMSSA-N 1 1 336.436 0.816 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000369867598 438522134 /nfs/dbraw/zinc/52/21/34/438522134.db2.gz KOVFPXWZPDPPPE-ZIAGYGMSSA-N 1 1 346.522 0.836 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)C1=O ZINC000370316775 438570454 /nfs/dbraw/zinc/57/04/54/438570454.db2.gz SZZZRHIDJXPVIW-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)C1=O ZINC000370316775 438570456 /nfs/dbraw/zinc/57/04/56/438570456.db2.gz SZZZRHIDJXPVIW-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCOCC[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451994824 438624275 /nfs/dbraw/zinc/62/42/75/438624275.db2.gz XJCJGQOUYODSGI-UHFFFAOYSA-N 1 1 332.397 0.986 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc1 ZINC000494084527 438670897 /nfs/dbraw/zinc/67/08/97/438670897.db2.gz AWXAYKMPTFHFRW-GJZGRUSLSA-N 1 1 331.372 0.824 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCN3C(=O)OCC[C@H]3C2)cc1 ZINC000494084527 438670900 /nfs/dbraw/zinc/67/09/00/438670900.db2.gz AWXAYKMPTFHFRW-GJZGRUSLSA-N 1 1 331.372 0.824 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000447390915 438676191 /nfs/dbraw/zinc/67/61/91/438676191.db2.gz CTZAKHSQJNMRQQ-LSDHHAIUSA-N 1 1 327.425 0.094 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411972940 438683880 /nfs/dbraw/zinc/68/38/80/438683880.db2.gz WQZMHSMCXMEDNC-FZKQIMNGSA-N 1 1 344.415 0.516 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000453568703 438685105 /nfs/dbraw/zinc/68/51/05/438685105.db2.gz ARUOVUHJRMNFQH-UHFFFAOYSA-N 1 1 332.404 0.890 20 30 ECEDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453665968 438687738 /nfs/dbraw/zinc/68/77/38/438687738.db2.gz IFAPBXIQRNIMGM-MRXNPFEDSA-N 1 1 344.415 0.606 20 30 ECEDMO Cc1ncc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1C#N ZINC000451674020 438708582 /nfs/dbraw/zinc/70/85/82/438708582.db2.gz XBZMNNBVADAYMS-AWEZNQCLSA-N 1 1 338.433 0.387 20 30 ECEDMO Cc1ncc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1C#N ZINC000451674020 438708584 /nfs/dbraw/zinc/70/85/84/438708584.db2.gz XBZMNNBVADAYMS-AWEZNQCLSA-N 1 1 338.433 0.387 20 30 ECEDMO CN(CCC#N)C[C@H](O)CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000575862670 438757583 /nfs/dbraw/zinc/75/75/83/438757583.db2.gz IXPYZLZOXLHRKQ-QZTJIDSGSA-N 1 1 332.448 0.871 20 30 ECEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@@H](C)C1 ZINC000554128521 438761080 /nfs/dbraw/zinc/76/10/80/438761080.db2.gz MJKNYHFWLZVRHX-LZWOXQAQSA-N 1 1 327.432 1.554 20 30 ECEDMO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000555104234 438771212 /nfs/dbraw/zinc/77/12/12/438771212.db2.gz CUUSRNWEFVKVDR-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@H]1C ZINC000588124940 438819588 /nfs/dbraw/zinc/81/95/88/438819588.db2.gz QEGLJPKEVPQQLR-ZIAGYGMSSA-N 1 1 335.452 0.032 20 30 ECEDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@H]1C ZINC000588124940 438819590 /nfs/dbraw/zinc/81/95/90/438819590.db2.gz QEGLJPKEVPQQLR-ZIAGYGMSSA-N 1 1 335.452 0.032 20 30 ECEDMO N#CC[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000595551237 438822111 /nfs/dbraw/zinc/82/21/11/438822111.db2.gz WWEKFPIIGPWUCY-SJORKVTESA-N 1 1 349.479 0.728 20 30 ECEDMO N#CC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000595551230 438823271 /nfs/dbraw/zinc/82/32/71/438823271.db2.gz WWEKFPIIGPWUCY-IAGOWNOFSA-N 1 1 349.479 0.728 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](Nc2cc(C#N)cc(C)n2)CC1=O ZINC000601177846 438828163 /nfs/dbraw/zinc/82/81/63/438828163.db2.gz AOOKROPNFUTOIG-OAHLLOKOSA-N 1 1 331.420 0.853 20 30 ECEDMO C[C@H]1COCC[N@H+]1C1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000559639627 438836895 /nfs/dbraw/zinc/83/68/95/438836895.db2.gz MJOCGBASJPJJNG-KSSFIOAISA-N 1 1 334.464 0.980 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCNC3=O)CC2)cc1 ZINC000595661344 438840839 /nfs/dbraw/zinc/84/08/39/438840839.db2.gz YYHLUBAYLIUCDG-INIZCTEOSA-N 1 1 341.415 0.664 20 30 ECEDMO CCOCC[N@@H+]1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@H]1C ZINC000458084159 438854974 /nfs/dbraw/zinc/85/49/74/438854974.db2.gz MCYNIVBXYDLXIR-CQSZACIVSA-N 1 1 331.420 0.934 20 30 ECEDMO CCOCC[N@H+]1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@H]1C ZINC000458084159 438854978 /nfs/dbraw/zinc/85/49/78/438854978.db2.gz MCYNIVBXYDLXIR-CQSZACIVSA-N 1 1 331.420 0.934 20 30 ECEDMO C=CCCOCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000458571386 438899936 /nfs/dbraw/zinc/89/99/36/438899936.db2.gz ADAMECWASKIISG-UHFFFAOYSA-N 1 1 341.452 0.760 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H]4C[C@H]4C3)CC2)o1 ZINC000595811611 438865905 /nfs/dbraw/zinc/86/59/05/438865905.db2.gz VXBCVDOGUYWJQA-KBPBESRZSA-N 1 1 329.404 0.845 20 30 ECEDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000595827912 438867892 /nfs/dbraw/zinc/86/78/92/438867892.db2.gz RVLJASAMHDNGTP-JKSUJKDBSA-N 1 1 346.431 0.986 20 30 ECEDMO CC[C@]1(O)CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000577813011 438872883 /nfs/dbraw/zinc/87/28/83/438872883.db2.gz SSDIAUNBROVRRA-KRWDZBQOSA-N 1 1 347.419 0.350 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595869156 438875168 /nfs/dbraw/zinc/87/51/68/438875168.db2.gz VQQPRUMFBDLZGF-QZTJIDSGSA-N 1 1 345.443 0.829 20 30 ECEDMO CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@H](C#N)C1 ZINC000578287062 438909416 /nfs/dbraw/zinc/90/94/16/438909416.db2.gz UOJIWBSBOTZRHW-KBPBESRZSA-N 1 1 333.392 0.234 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)Cc2c(F)cccc2C#N)CC1 ZINC000578511500 438928182 /nfs/dbraw/zinc/92/81/82/438928182.db2.gz TUVQZADPOSGBNM-UHFFFAOYSA-N 1 1 332.379 0.520 20 30 ECEDMO CNC(=O)NC(=O)CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000591026053 438976863 /nfs/dbraw/zinc/97/68/63/438976863.db2.gz ZJIBIOACOOANSU-OAHLLOKOSA-N 1 1 347.394 0.854 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000602192979 439037021 /nfs/dbraw/zinc/03/70/21/439037021.db2.gz CPUNQEWZVXKUBG-UHFFFAOYSA-N 1 1 340.427 0.822 20 30 ECEDMO N#CC1(CS(=O)(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CCCC1 ZINC000591633426 439038733 /nfs/dbraw/zinc/03/87/33/439038733.db2.gz QSYQXDPUEBPVDF-KFWWJZLASA-N 1 1 341.477 0.977 20 30 ECEDMO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000580642006 439112828 /nfs/dbraw/zinc/11/28/28/439112828.db2.gz SAWZCYJBFLYQES-AWEZNQCLSA-N 1 1 325.434 0.386 20 30 ECEDMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cn1 ZINC000602944546 439166671 /nfs/dbraw/zinc/16/66/71/439166671.db2.gz UFORJSVZTWFBHV-HUUCEWRRSA-N 1 1 333.436 0.915 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@](O)(CC#N)C2)CC1 ZINC000591968224 439124432 /nfs/dbraw/zinc/12/44/32/439124432.db2.gz PGEZRGPXZVICTM-NVXWUHKLSA-N 1 1 337.468 0.320 20 30 ECEDMO C=CCn1cc(CNC(=O)NC2CCC([NH+]3CCNCC3)CC2)nn1 ZINC000580828334 439135635 /nfs/dbraw/zinc/13/56/35/439135635.db2.gz GTTCUPPAQSZXNN-UHFFFAOYSA-N 1 1 347.467 0.480 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000522010335 439139484 /nfs/dbraw/zinc/13/94/84/439139484.db2.gz AEOJQZPSVAUQAE-MRXNPFEDSA-N 1 1 333.436 0.439 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000522010335 439139488 /nfs/dbraw/zinc/13/94/88/439139488.db2.gz AEOJQZPSVAUQAE-MRXNPFEDSA-N 1 1 333.436 0.439 20 30 ECEDMO N#CCC(=O)N1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602840116 439141617 /nfs/dbraw/zinc/14/16/17/439141617.db2.gz IXGYLWTVGWNHEJ-LJQANCHMSA-N 1 1 342.443 0.681 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603130622 439195228 /nfs/dbraw/zinc/19/52/28/439195228.db2.gz RPKXYNVQHLMCMS-OAHLLOKOSA-N 1 1 342.403 0.724 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(CC#N)cc2)C1 ZINC000592335060 439206433 /nfs/dbraw/zinc/20/64/33/439206433.db2.gz MBRSQCNMWQYFCR-MRXNPFEDSA-N 1 1 344.415 0.206 20 30 ECEDMO C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590081 439282188 /nfs/dbraw/zinc/28/21/88/439282188.db2.gz WWGDLEFGDNPAHA-ZACQAIPSSA-N 1 1 338.496 0.624 20 30 ECEDMO C=CCn1cc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)nn1 ZINC000581721739 439246655 /nfs/dbraw/zinc/24/66/55/439246655.db2.gz NGCHNQGTJHYMML-CYBMUJFWSA-N 1 1 332.360 0.722 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)C1CC1 ZINC000581840050 439257435 /nfs/dbraw/zinc/25/74/35/439257435.db2.gz CHQWMSJUAZJELL-MSOLQXFVSA-N 1 1 348.447 0.244 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)C1CC1 ZINC000581840050 439257438 /nfs/dbraw/zinc/25/74/38/439257438.db2.gz CHQWMSJUAZJELL-MSOLQXFVSA-N 1 1 348.447 0.244 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000527299660 439264208 /nfs/dbraw/zinc/26/42/08/439264208.db2.gz UYUQHEHANXWNRK-CQSZACIVSA-N 1 1 348.447 0.508 20 30 ECEDMO N#Cc1ccc(OCC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000598455077 439265295 /nfs/dbraw/zinc/26/52/95/439265295.db2.gz ZRDARDKEJBWWEI-MRXNPFEDSA-N 1 1 329.400 0.995 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@@H](CO)c2ccccc2OC)CC1 ZINC000490937470 439315976 /nfs/dbraw/zinc/31/59/76/439315976.db2.gz UQYIQPDPIBZCPC-INIZCTEOSA-N 1 1 331.416 0.096 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)CC1 ZINC000490951021 439317179 /nfs/dbraw/zinc/31/71/79/439317179.db2.gz VQQNKKBJOYJECP-BXKMTCNYSA-N 1 1 347.484 0.473 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](CCO)Cc2ccc(C)cc2)CC1 ZINC000490950759 439317503 /nfs/dbraw/zinc/31/75/03/439317503.db2.gz SAKIIIQOTGIKHX-UHFFFAOYSA-N 1 1 329.444 0.567 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CCO)Cc2ccc(C)cc2)CC1 ZINC000490950759 439317507 /nfs/dbraw/zinc/31/75/07/439317507.db2.gz SAKIIIQOTGIKHX-UHFFFAOYSA-N 1 1 329.444 0.567 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2ccccc2C#N)[C@H](C)C1 ZINC000528465824 439338868 /nfs/dbraw/zinc/33/88/68/439338868.db2.gz RWBKYRLFZJAFNM-HLLBOEOZSA-N 1 1 333.432 0.685 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3cnc(N)nc3C2)cc1 ZINC000598950037 439332260 /nfs/dbraw/zinc/33/22/60/439332260.db2.gz NWTSGFVKINLLQY-CQSZACIVSA-N 1 1 325.372 0.728 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3cnc(N)nc3C2)cc1 ZINC000598950037 439332266 /nfs/dbraw/zinc/33/22/66/439332266.db2.gz NWTSGFVKINLLQY-CQSZACIVSA-N 1 1 325.372 0.728 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000491121353 439334563 /nfs/dbraw/zinc/33/45/63/439334563.db2.gz QGYJUUFNLVQCAS-OAHLLOKOSA-N 1 1 336.505 0.807 20 30 ECEDMO C#CC(C)(C)[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000491127748 439336544 /nfs/dbraw/zinc/33/65/44/439336544.db2.gz XOPHHAUBMOBXIK-UHFFFAOYSA-N 1 1 329.404 0.847 20 30 ECEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000491127748 439336547 /nfs/dbraw/zinc/33/65/47/439336547.db2.gz XOPHHAUBMOBXIK-UHFFFAOYSA-N 1 1 329.404 0.847 20 30 ECEDMO C#CCN(CC#CC)C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000490687993 439287231 /nfs/dbraw/zinc/28/72/31/439287231.db2.gz GNBHOXGNCQAJPO-DLBZAZTESA-N 1 1 329.444 0.804 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)CC1 ZINC000598648481 439295445 /nfs/dbraw/zinc/29/54/45/439295445.db2.gz SAOFHDIYCWBFBW-ZACQAIPSSA-N 1 1 336.480 0.629 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000490840180 439302942 /nfs/dbraw/zinc/30/29/42/439302942.db2.gz MKIBGZVEJIRYTG-UHFFFAOYSA-N 1 1 349.475 0.818 20 30 ECEDMO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)S(C)(=O)=O ZINC000582236790 439305754 /nfs/dbraw/zinc/30/57/54/439305754.db2.gz MYDXGIJGGRJOLD-LLVKDONJSA-N 1 1 330.431 0.355 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)c1C#N ZINC000528478338 439338508 /nfs/dbraw/zinc/33/85/08/439338508.db2.gz ZBCDCZGXIOLRBY-AWEZNQCLSA-N 1 1 333.436 0.388 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000490897736 439309869 /nfs/dbraw/zinc/30/98/69/439309869.db2.gz FGNQIXSSKUBPON-KBPBESRZSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000490897736 439309873 /nfs/dbraw/zinc/30/98/73/439309873.db2.gz FGNQIXSSKUBPON-KBPBESRZSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000491156397 439339821 /nfs/dbraw/zinc/33/98/21/439339821.db2.gz ZXMWXCQPCHDHPB-UHFFFAOYSA-N 1 1 329.404 0.104 20 30 ECEDMO CN1C[C@@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)CCC1=O ZINC000528513223 439344096 /nfs/dbraw/zinc/34/40/96/439344096.db2.gz RZAJZQHXVRUEFU-AWEZNQCLSA-N 1 1 339.395 0.839 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528539885 439347828 /nfs/dbraw/zinc/34/78/28/439347828.db2.gz YBEDLWBBCZDHEG-CQSZACIVSA-N 1 1 344.481 0.509 20 30 ECEDMO C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(C#N)c(F)c1 ZINC000599091072 439355416 /nfs/dbraw/zinc/35/54/16/439355416.db2.gz OEJUDKVPPMRYCH-JTQLQIEISA-N 1 1 326.397 0.839 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000491327591 439366690 /nfs/dbraw/zinc/36/66/90/439366690.db2.gz WTUFAYXRNDLRPE-MRXNPFEDSA-N 1 1 349.479 0.921 20 30 ECEDMO N#Cc1ccc(OCCNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000593355684 439371953 /nfs/dbraw/zinc/37/19/53/439371953.db2.gz HKUNKVJBQAUZQI-OAHLLOKOSA-N 1 1 330.388 0.397 20 30 ECEDMO N#Cc1ccc(OCCNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000593355684 439371957 /nfs/dbraw/zinc/37/19/57/439371957.db2.gz HKUNKVJBQAUZQI-OAHLLOKOSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000491408377 439379677 /nfs/dbraw/zinc/37/96/77/439379677.db2.gz VJUNCUBFXJWILQ-UHFFFAOYSA-N 1 1 349.456 0.426 20 30 ECEDMO C#CCn1ccnc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000491630530 439415046 /nfs/dbraw/zinc/41/50/46/439415046.db2.gz QNHLYFBHWFUAHB-UHFFFAOYSA-N 1 1 334.449 0.037 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](Cc1cccc(OC)c1)NC(C)=O ZINC000491639882 439416316 /nfs/dbraw/zinc/41/63/16/439416316.db2.gz ZASJADHBUXBVNT-SFHVURJKSA-N 1 1 345.443 0.814 20 30 ECEDMO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599292949 439420917 /nfs/dbraw/zinc/42/09/17/439420917.db2.gz LNNYYXYCDPWXCO-UONOGXRCSA-N 1 1 332.466 0.813 20 30 ECEDMO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599292949 439420922 /nfs/dbraw/zinc/42/09/22/439420922.db2.gz LNNYYXYCDPWXCO-UONOGXRCSA-N 1 1 332.466 0.813 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O ZINC000491670097 439424863 /nfs/dbraw/zinc/42/48/63/439424863.db2.gz DBHPGRMWKKONCI-IBGZPJMESA-N 1 1 343.427 0.465 20 30 ECEDMO C[N@@H+](CCN1CCCS1(=O)=O)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599305299 439426544 /nfs/dbraw/zinc/42/65/44/439426544.db2.gz XKHGREXYGDTNCQ-AWEZNQCLSA-N 1 1 345.465 0.025 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000491707273 439431694 /nfs/dbraw/zinc/43/16/94/439431694.db2.gz RZSABVPNPGDJRF-IBGZPJMESA-N 1 1 342.443 0.780 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000491707041 439432723 /nfs/dbraw/zinc/43/27/23/439432723.db2.gz FUWBECNROUWPIP-UHFFFAOYSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1CCS(C)(=O)=O ZINC000491708418 439433218 /nfs/dbraw/zinc/43/32/18/439433218.db2.gz OMPZEXSTYQSMNB-HNNXBMFYSA-N 1 1 343.493 0.940 20 30 ECEDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599327420 439434969 /nfs/dbraw/zinc/43/49/69/439434969.db2.gz HFGVCUFGAPVFHN-UONOGXRCSA-N 1 1 345.465 0.071 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2C[C@@](C)(C(=O)OCC)CC2=O)CC1 ZINC000491730291 439436557 /nfs/dbraw/zinc/43/65/57/439436557.db2.gz ONJWEAGXEMQMJH-SFHVURJKSA-N 1 1 349.431 0.207 20 30 ECEDMO N#CC1(C[C@H](O)C[NH+]2CCN(c3ncc(F)cn3)CC2)CCOCC1 ZINC000599365353 439447152 /nfs/dbraw/zinc/44/71/52/439447152.db2.gz ZPLXHUVNRBOMKI-HNNXBMFYSA-N 1 1 349.410 0.809 20 30 ECEDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599397138 439455103 /nfs/dbraw/zinc/45/51/03/439455103.db2.gz UVTHMSBWXKMNGR-HOTGVXAUSA-N 1 1 325.453 0.710 20 30 ECEDMO COCC[N@@H+](CC(=O)N(C)C)C[C@H](O)COc1ccccc1C#N ZINC000599266305 439408186 /nfs/dbraw/zinc/40/81/86/439408186.db2.gz WQLBXIPLPWMXDI-HNNXBMFYSA-N 1 1 335.404 0.335 20 30 ECEDMO COCC[N@H+](CC(=O)N(C)C)C[C@H](O)COc1ccccc1C#N ZINC000599266305 439408193 /nfs/dbraw/zinc/40/81/93/439408193.db2.gz WQLBXIPLPWMXDI-HNNXBMFYSA-N 1 1 335.404 0.335 20 30 ECEDMO N#CCC(=O)N1CC[NH+](CCC(=O)N2CCOc3ccccc32)CC1 ZINC000570292775 439408236 /nfs/dbraw/zinc/40/82/36/439408236.db2.gz VBODCSLBBNLWLI-UHFFFAOYSA-N 1 1 342.399 0.860 20 30 ECEDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599434734 439468106 /nfs/dbraw/zinc/46/81/06/439468106.db2.gz GWAPCYWXILJOER-LSDHHAIUSA-N 1 1 338.452 0.793 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3nccnn3)CC2)cc1 ZINC000599510175 439495484 /nfs/dbraw/zinc/49/54/84/439495484.db2.gz WFFZYTFUYQJPFW-UHFFFAOYSA-N 1 1 337.387 0.894 20 30 ECEDMO CNS(=O)(=O)c1csc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000530892911 439504130 /nfs/dbraw/zinc/50/41/30/439504130.db2.gz AGEKILZXHWWXLB-UHFFFAOYSA-N 1 1 342.446 0.374 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000599563744 439506240 /nfs/dbraw/zinc/50/62/40/439506240.db2.gz CXNVRMRCZGQCOW-CRAIPNDOSA-N 1 1 343.383 0.927 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000599563744 439506244 /nfs/dbraw/zinc/50/62/44/439506244.db2.gz CXNVRMRCZGQCOW-CRAIPNDOSA-N 1 1 343.383 0.927 20 30 ECEDMO COc1cc(C#N)ccc1OCC[NH+]1CCN(c2nncn2C)CC1 ZINC000594023728 439508354 /nfs/dbraw/zinc/50/83/54/439508354.db2.gz SRRYZGQQOZRYAU-UHFFFAOYSA-N 1 1 342.403 0.896 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNS(=O)(=O)c1ccccc1F ZINC000491815669 439458154 /nfs/dbraw/zinc/45/81/54/439458154.db2.gz PUDFOMOZIZTBJD-UHFFFAOYSA-N 1 1 341.408 0.175 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)n(CCC#N)n1 ZINC000532599124 439518547 /nfs/dbraw/zinc/51/85/47/439518547.db2.gz CFHRYGHDSDUNRB-UHFFFAOYSA-N 1 1 334.424 0.890 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C3CCOCC3)CC2)o1 ZINC000532986618 439519596 /nfs/dbraw/zinc/51/95/96/439519596.db2.gz KNVZQNIVBKHMOX-UHFFFAOYSA-N 1 1 347.419 0.614 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC1 ZINC000599638583 439524112 /nfs/dbraw/zinc/52/41/12/439524112.db2.gz OLNJGQKRAIUGNI-YQVWRLOYSA-N 1 1 348.491 0.773 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000571709691 439524602 /nfs/dbraw/zinc/52/46/02/439524602.db2.gz KWXPYKWCYUXPKG-CYBMUJFWSA-N 1 1 327.344 0.123 20 30 ECEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000571709691 439524604 /nfs/dbraw/zinc/52/46/04/439524604.db2.gz KWXPYKWCYUXPKG-CYBMUJFWSA-N 1 1 327.344 0.123 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000599690904 439539089 /nfs/dbraw/zinc/53/90/89/439539089.db2.gz BDCOBUABAPXQPK-UKRRQHHQSA-N 1 1 344.481 0.302 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000599690904 439539094 /nfs/dbraw/zinc/53/90/94/439539094.db2.gz BDCOBUABAPXQPK-UKRRQHHQSA-N 1 1 344.481 0.302 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CSc1ccc(C#N)cc1 ZINC000609136013 439552143 /nfs/dbraw/zinc/55/21/43/439552143.db2.gz CVBAWJSPJCKORG-UHFFFAOYSA-N 1 1 346.456 0.883 20 30 ECEDMO COCC[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000609280331 439561154 /nfs/dbraw/zinc/56/11/54/439561154.db2.gz AWFANFZVJASMDD-INIZCTEOSA-N 1 1 344.415 0.515 20 30 ECEDMO C[N@H+]1CCC[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000609383346 439568037 /nfs/dbraw/zinc/56/80/37/439568037.db2.gz WTTOCTWKFAALTF-INIZCTEOSA-N 1 1 349.456 0.931 20 30 ECEDMO C[NH+](C)[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccco1 ZINC000585684764 439642637 /nfs/dbraw/zinc/64/26/37/439642637.db2.gz APPQXENJXINAJQ-CQSZACIVSA-N 1 1 347.419 0.103 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610912367 439657535 /nfs/dbraw/zinc/65/75/35/439657535.db2.gz AFMRTFNBXJYPMV-MLGOLLRUSA-N 1 1 333.388 0.781 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610912367 439657539 /nfs/dbraw/zinc/65/75/39/439657539.db2.gz AFMRTFNBXJYPMV-MLGOLLRUSA-N 1 1 333.388 0.781 20 30 ECEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595173627 439668419 /nfs/dbraw/zinc/66/84/19/439668419.db2.gz VBCBTGWPLHCGFJ-CXAGYDPISA-N 1 1 336.436 0.052 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595173627 439668422 /nfs/dbraw/zinc/66/84/22/439668422.db2.gz VBCBTGWPLHCGFJ-CXAGYDPISA-N 1 1 336.436 0.052 20 30 ECEDMO N#Cc1cnn(-c2ccc(C(=O)NCC[N@H+]3CC[C@H](O)C3)cc2)c1N ZINC000600806698 439703872 /nfs/dbraw/zinc/70/38/72/439703872.db2.gz DSPSPQKASRDKSE-HNNXBMFYSA-N 1 1 340.387 0.123 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000595411186 439723994 /nfs/dbraw/zinc/72/39/94/439723994.db2.gz OTFWINVOAWOTOJ-HUUCEWRRSA-N 1 1 342.465 0.167 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595214623 439674885 /nfs/dbraw/zinc/67/48/85/439674885.db2.gz JAQPAOOAECBXBE-MRXNPFEDSA-N 1 1 342.399 0.554 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]2C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000600533181 439675177 /nfs/dbraw/zinc/67/51/77/439675177.db2.gz KMBNAZKLPNHADH-SJORKVTESA-N 1 1 328.416 0.710 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000574032881 439679005 /nfs/dbraw/zinc/67/90/05/439679005.db2.gz JQJJXAKDOXNWDC-JJXSEGSLSA-N 1 1 335.448 0.779 20 30 ECEDMO C[N@@H+](CC(=O)N1CCOCC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613132728 439750687 /nfs/dbraw/zinc/75/06/87/439750687.db2.gz WDJMGRRXFKOUEL-MRXNPFEDSA-N 1 1 347.415 0.283 20 30 ECEDMO C[N@H+](CC(=O)N1CCOCC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613132728 439750688 /nfs/dbraw/zinc/75/06/88/439750688.db2.gz WDJMGRRXFKOUEL-MRXNPFEDSA-N 1 1 347.415 0.283 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000613262840 439753941 /nfs/dbraw/zinc/75/39/41/439753941.db2.gz KWOWQFFJUXTJEP-ZDUSSCGKSA-N 1 1 340.449 0.034 20 30 ECEDMO N#CC1(CS(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000613262840 439753942 /nfs/dbraw/zinc/75/39/42/439753942.db2.gz KWOWQFFJUXTJEP-ZDUSSCGKSA-N 1 1 340.449 0.034 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000613911281 439766065 /nfs/dbraw/zinc/76/60/65/439766065.db2.gz JNOWITUPKCJZIQ-OAHLLOKOSA-N 1 1 333.436 0.976 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1O ZINC000615430993 439800564 /nfs/dbraw/zinc/80/05/64/439800564.db2.gz CKIDIHVSXIYFMU-MRXNPFEDSA-N 1 1 344.415 0.400 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1O ZINC000615430993 439800565 /nfs/dbraw/zinc/80/05/65/439800565.db2.gz CKIDIHVSXIYFMU-MRXNPFEDSA-N 1 1 344.415 0.400 20 30 ECEDMO C=CCn1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nn1 ZINC000617696356 439931054 /nfs/dbraw/zinc/93/10/54/439931054.db2.gz HMRVCQGQTOTXKA-INIZCTEOSA-N 1 1 341.415 0.961 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000636659110 439981808 /nfs/dbraw/zinc/98/18/08/439981808.db2.gz NLROCXVPKGDBAT-CQSZACIVSA-N 1 1 325.453 0.932 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636979733 440117524 /nfs/dbraw/zinc/11/75/24/440117524.db2.gz GKSVPNPVZZZMSS-BPUTZDHNSA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCCn1cc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)nn1 ZINC000653588447 440212124 /nfs/dbraw/zinc/21/21/24/440212124.db2.gz WREKXIPVIFPESA-MRXNPFEDSA-N 1 1 332.452 0.768 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000644824556 440698056 /nfs/dbraw/zinc/69/80/56/440698056.db2.gz XQQLTTCYGJBYSP-GDBMZVCRSA-N 1 1 349.456 0.927 20 30 ECEDMO C=CCNC(=O)[C@@H](C)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335159 441017200 /nfs/dbraw/zinc/01/72/00/441017200.db2.gz GJPMKQHMEWRQMF-CABCVRRESA-N 1 1 346.479 0.689 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001077991588 782091342 /nfs/dbraw/zinc/09/13/42/782091342.db2.gz RUCXNWFSKADBEJ-HZPDHXFCSA-N 1 1 327.388 0.618 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(S(C)(=O)=O)CCC3)C2)C1 ZINC001041761406 782148555 /nfs/dbraw/zinc/14/85/55/782148555.db2.gz MLUVRCVUKRLHQL-MRXNPFEDSA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3(S(C)(=O)=O)CCC3)C2)C1 ZINC001041761406 782148559 /nfs/dbraw/zinc/14/85/59/782148559.db2.gz MLUVRCVUKRLHQL-MRXNPFEDSA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC001041764929 782155606 /nfs/dbraw/zinc/15/56/06/782155606.db2.gz GMXBUMBOLHNMLZ-SFHVURJKSA-N 1 1 328.416 0.581 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(-n4cncn4)n3)C2)C1 ZINC001041766003 782157814 /nfs/dbraw/zinc/15/78/14/782157814.db2.gz WYQKWFVLTJZMSX-GOSISDBHSA-N 1 1 336.399 0.834 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)[N@H+](C)C1 ZINC000328997704 546011890 /nfs/dbraw/zinc/01/18/90/546011890.db2.gz UWKNWOBDOYBISF-RDBSUJKOSA-N 1 1 349.435 0.425 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)[N@@H+](C)C1 ZINC000328997704 546011895 /nfs/dbraw/zinc/01/18/95/546011895.db2.gz UWKNWOBDOYBISF-RDBSUJKOSA-N 1 1 349.435 0.425 20 30 ECEDMO C[C@H](NC(=O)CCC(=O)N1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000329104339 546014260 /nfs/dbraw/zinc/01/42/60/546014260.db2.gz NYWXKBNEFLMFSA-KBPBESRZSA-N 1 1 327.425 0.691 20 30 ECEDMO Cn1cc(N2CC[C@H](NC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2=O)cn1 ZINC000329586042 546028679 /nfs/dbraw/zinc/02/86/79/546028679.db2.gz WRKLHTNYIJQBJZ-RISCZKNCSA-N 1 1 332.408 0.266 20 30 ECEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000330041367 546037867 /nfs/dbraw/zinc/03/78/67/546037867.db2.gz CZMWUZKHMZRLJD-LBPRGKRZSA-N 1 1 344.419 0.894 20 30 ECEDMO Cc1[nH+]ccn1C[C@@H](C)C[NH+]=C([O-])N1CCc2c(ncn(C)c2=O)C1 ZINC000330041367 546037880 /nfs/dbraw/zinc/03/78/80/546037880.db2.gz CZMWUZKHMZRLJD-LBPRGKRZSA-N 1 1 344.419 0.894 20 30 ECEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCC(=O)NCC#N)cc2)C[C@H](C)O1 ZINC000343513714 546098261 /nfs/dbraw/zinc/09/82/61/546098261.db2.gz BNGPGZBFIQAUNN-KBPBESRZSA-N 1 1 344.415 0.665 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000619721681 546364292 /nfs/dbraw/zinc/36/42/92/546364292.db2.gz QTKSRSQYGBUYKC-BQFCYCMXSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000619721682 546364369 /nfs/dbraw/zinc/36/43/69/546364369.db2.gz QTKSRSQYGBUYKC-RYRKJORJSA-N 1 1 347.459 0.879 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000619749418 546365876 /nfs/dbraw/zinc/36/58/76/546365876.db2.gz SLZOZYPZUILDRF-CABCVRRESA-N 1 1 344.481 0.652 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)nn1 ZINC000619966655 546391454 /nfs/dbraw/zinc/39/14/54/546391454.db2.gz PRWKWHCCGZSGJW-HUUCEWRRSA-N 1 1 331.420 0.837 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2Cc3ccccc3C2=O)C1 ZINC001078027762 782169934 /nfs/dbraw/zinc/16/99/34/782169934.db2.gz HJQRGCNBYYPOBP-HZPDHXFCSA-N 1 1 329.400 0.380 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625866867 547243126 /nfs/dbraw/zinc/24/31/26/547243126.db2.gz DWMWXUFWKCOVPJ-INIZCTEOSA-N 1 1 339.395 0.839 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625866867 547243129 /nfs/dbraw/zinc/24/31/29/547243129.db2.gz DWMWXUFWKCOVPJ-INIZCTEOSA-N 1 1 339.395 0.839 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1O ZINC001078028011 782170761 /nfs/dbraw/zinc/17/07/61/782170761.db2.gz UJBMKTVZAOWNHD-GMGZGELVSA-N 1 1 343.427 0.915 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001041775863 782177924 /nfs/dbraw/zinc/17/79/24/782177924.db2.gz UBXMEGYBCJHXKU-QGZVFWFLSA-N 1 1 334.420 0.429 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC001041777131 782181354 /nfs/dbraw/zinc/18/13/54/782181354.db2.gz IFNUVHZGAFKIAN-QAPCUYQASA-N 1 1 343.431 0.801 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC001041778046 782184556 /nfs/dbraw/zinc/18/45/56/782184556.db2.gz SSOSUASYLBEMHG-RHSMWYFYSA-N 1 1 331.420 0.964 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(NC(=O)CCC)CC2)CC1 ZINC000748816956 579329238 /nfs/dbraw/zinc/32/92/38/579329238.db2.gz XBJBXAMQHDABTP-UHFFFAOYSA-N 1 1 334.464 0.145 20 30 ECEDMO C#CCOCCNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000753377606 579399884 /nfs/dbraw/zinc/39/98/84/579399884.db2.gz CKUULRAHFPYOAP-QGZVFWFLSA-N 1 1 331.416 0.355 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000754195332 579414299 /nfs/dbraw/zinc/41/42/99/579414299.db2.gz MDUAFGONTZNVAM-AWEZNQCLSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000754195332 579414300 /nfs/dbraw/zinc/41/43/00/579414300.db2.gz MDUAFGONTZNVAM-AWEZNQCLSA-N 1 1 349.456 0.764 20 30 ECEDMO CC(C)[N@@H+]1CC(=NNC(=S)NCCCN2CCOCC2)[C@@H](C)C1 ZINC000754253394 579414950 /nfs/dbraw/zinc/41/49/50/579414950.db2.gz DRSCLOBMUMFQPJ-AWEZNQCLSA-N 1 1 341.525 0.889 20 30 ECEDMO N#Cc1c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cccc1S(N)(=O)=O ZINC000754990601 579427323 /nfs/dbraw/zinc/42/73/23/579427323.db2.gz NYBSTQHUQMSYMJ-NWDGAFQWSA-N 1 1 336.417 0.481 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000759205158 579487409 /nfs/dbraw/zinc/48/74/09/579487409.db2.gz UCDUZYBTSQLLDC-HNNXBMFYSA-N 1 1 345.403 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000759205158 579487411 /nfs/dbraw/zinc/48/74/11/579487411.db2.gz UCDUZYBTSQLLDC-HNNXBMFYSA-N 1 1 345.403 0.326 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(NC(=O)COC)c1 ZINC000730104200 578303418 /nfs/dbraw/zinc/30/34/18/578303418.db2.gz KXKILEMEHTXXFB-INIZCTEOSA-N 1 1 329.400 0.985 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(NC(=O)COC)c1 ZINC000730104200 578303419 /nfs/dbraw/zinc/30/34/19/578303419.db2.gz KXKILEMEHTXXFB-INIZCTEOSA-N 1 1 329.400 0.985 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000730285313 578304690 /nfs/dbraw/zinc/30/46/90/578304690.db2.gz LRMSYLYIKFNEMI-LRDDRELGSA-N 1 1 338.354 0.918 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000730285313 578304691 /nfs/dbraw/zinc/30/46/91/578304691.db2.gz LRMSYLYIKFNEMI-LRDDRELGSA-N 1 1 338.354 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000731374326 578312336 /nfs/dbraw/zinc/31/23/36/578312336.db2.gz SZUXNMMXLNJPDX-HNNXBMFYSA-N 1 1 341.477 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000731374326 578312337 /nfs/dbraw/zinc/31/23/37/578312337.db2.gz SZUXNMMXLNJPDX-HNNXBMFYSA-N 1 1 341.477 0.357 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)C1=O ZINC000794528245 578592321 /nfs/dbraw/zinc/59/23/21/578592321.db2.gz DBZHJWOCGCIOPV-ZIAGYGMSSA-N 1 1 341.452 0.981 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000799070261 578656932 /nfs/dbraw/zinc/65/69/32/578656932.db2.gz KTBQPUDRULJDLY-XHSDSOJGSA-N 1 1 335.448 0.210 20 30 ECEDMO CON(C)C(=O)CC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000799127438 578658636 /nfs/dbraw/zinc/65/86/36/578658636.db2.gz RZTIZZSRTYGULQ-UHFFFAOYSA-N 1 1 333.392 0.956 20 30 ECEDMO COc1cc(C=NNCCC[NH+]2CCOCC2)c([N+](=O)[O-])cc1O ZINC000799488280 578666052 /nfs/dbraw/zinc/66/60/52/578666052.db2.gz DKJBETDDELQMHA-UHFFFAOYSA-N 1 1 338.364 0.955 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000782158012 578720993 /nfs/dbraw/zinc/72/09/93/578720993.db2.gz PPOZVFXDBXUXEL-UHFFFAOYSA-N 1 1 329.400 0.522 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000782158012 578720994 /nfs/dbraw/zinc/72/09/94/578720994.db2.gz PPOZVFXDBXUXEL-UHFFFAOYSA-N 1 1 329.400 0.522 20 30 ECEDMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCC#N)cc2)CC1 ZINC000787593901 578810249 /nfs/dbraw/zinc/81/02/49/578810249.db2.gz ZKDGOSFGPAQUDW-UHFFFAOYSA-N 1 1 329.404 0.797 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCC[N@@H+](C)C2)n1 ZINC000788894068 578844931 /nfs/dbraw/zinc/84/49/31/578844931.db2.gz QPONEOYKRDOVSM-HNNXBMFYSA-N 1 1 333.436 0.769 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CON=C(N)c2ccco2)C1 ZINC000789625317 578857846 /nfs/dbraw/zinc/85/78/46/578857846.db2.gz XWXJFULAMSBIHI-ZDUSSCGKSA-N 1 1 338.408 0.390 20 30 ECEDMO N#Cc1cccc([C@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CCO2)c1 ZINC000765380791 579064160 /nfs/dbraw/zinc/06/41/60/579064160.db2.gz KCKMJXLRNOTSFU-QZTJIDSGSA-N 1 1 340.427 0.848 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000765419217 579065434 /nfs/dbraw/zinc/06/54/34/579065434.db2.gz BZVSXFJZSCENHB-WFASDCNBSA-N 1 1 335.429 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000765419217 579065435 /nfs/dbraw/zinc/06/54/35/579065435.db2.gz BZVSXFJZSCENHB-WFASDCNBSA-N 1 1 335.429 0.609 20 30 ECEDMO S=C(NCCCN1CCOCC1)NN=C1CC[N@H+]2CCC[C@@H]12 ZINC000765556402 579068854 /nfs/dbraw/zinc/06/88/54/579068854.db2.gz MMOKHUXPCLQHTA-AWEZNQCLSA-N 1 1 325.482 0.397 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC000766247624 579083572 /nfs/dbraw/zinc/08/35/72/579083572.db2.gz MWYUMTIJVHPROJ-CRQJOFGKSA-N 1 1 349.435 0.637 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CCCO1 ZINC000774824561 579257013 /nfs/dbraw/zinc/25/70/13/579257013.db2.gz KBQCESAVVJFMFA-MJBXVCDLSA-N 1 1 333.388 0.296 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)[C@H]1CCCO1 ZINC000775793882 579271432 /nfs/dbraw/zinc/27/14/32/579271432.db2.gz WZOYIZMDEXWLCC-LSDHHAIUSA-N 1 1 341.367 0.621 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000776593607 579285450 /nfs/dbraw/zinc/28/54/50/579285450.db2.gz MGJVXGYHWMZHCO-GOSISDBHSA-N 1 1 345.491 0.320 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000776593845 579285586 /nfs/dbraw/zinc/28/55/86/579285586.db2.gz NMOVRAOCLKQNCY-DLBZAZTESA-N 1 1 349.475 0.818 20 30 ECEDMO CN1CCC[C@H](O[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000778593741 579309907 /nfs/dbraw/zinc/30/99/07/579309907.db2.gz BADCIEWSOLOYOK-INIZCTEOSA-N 1 1 346.431 0.905 20 30 ECEDMO O=S1CCC(=NNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000761800999 579532221 /nfs/dbraw/zinc/53/22/21/579532221.db2.gz IPZGZFAFHSFGGK-UHFFFAOYSA-N 1 1 332.495 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000764236236 579573804 /nfs/dbraw/zinc/57/38/04/579573804.db2.gz MYHLZSPDUUVXTN-YOEHRIQHSA-N 1 1 338.411 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000764236236 579573805 /nfs/dbraw/zinc/57/38/05/579573805.db2.gz MYHLZSPDUUVXTN-YOEHRIQHSA-N 1 1 338.411 0.999 20 30 ECEDMO CCC(=NNC(=S)NCCC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000741836051 579778240 /nfs/dbraw/zinc/77/82/40/579778240.db2.gz AFRNAGFTZOZTMR-ZDUSSCGKSA-N 1 1 328.482 0.975 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000742240491 579783656 /nfs/dbraw/zinc/78/36/56/579783656.db2.gz QPWMBYCEJHBLGY-AWEZNQCLSA-N 1 1 349.456 0.812 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)CC1 ZINC000744431838 579809461 /nfs/dbraw/zinc/80/94/61/579809461.db2.gz RIDYKFXPINORMJ-UHFFFAOYSA-N 1 1 340.387 0.457 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@@H](C)CC2)c1=O ZINC000748084849 579856525 /nfs/dbraw/zinc/85/65/25/579856525.db2.gz WIBLFMMMFSQOMG-CQSZACIVSA-N 1 1 334.420 0.623 20 30 ECEDMO C#CC[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C(=O)OC ZINC000837943824 588966455 /nfs/dbraw/zinc/96/64/55/588966455.db2.gz WQCAQFIEDNBEQY-NSHDSACASA-N 1 1 329.360 0.329 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000842167819 589016691 /nfs/dbraw/zinc/01/66/91/589016691.db2.gz ISQWMKXDPJYJIZ-HNNXBMFYSA-N 1 1 331.372 0.843 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000842167819 589016692 /nfs/dbraw/zinc/01/66/92/589016692.db2.gz ISQWMKXDPJYJIZ-HNNXBMFYSA-N 1 1 331.372 0.843 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000804712024 586062132 /nfs/dbraw/zinc/06/21/32/586062132.db2.gz YOLKDOODEYMTPS-STQMWFEESA-N 1 1 333.354 0.463 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000804712024 586062133 /nfs/dbraw/zinc/06/21/33/586062133.db2.gz YOLKDOODEYMTPS-STQMWFEESA-N 1 1 333.354 0.463 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC000895056357 586158711 /nfs/dbraw/zinc/15/87/11/586158711.db2.gz IBGITVZBRCPGBX-HNNXBMFYSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC000895056357 586158713 /nfs/dbraw/zinc/15/87/13/586158713.db2.gz IBGITVZBRCPGBX-HNNXBMFYSA-N 1 1 341.477 0.550 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C1CCOCC1 ZINC000895855407 586209098 /nfs/dbraw/zinc/20/90/98/586209098.db2.gz LCJRVTUZNZQJFF-GVDBMIGSSA-N 1 1 335.448 0.655 20 30 ECEDMO CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@H+](C)CC1 ZINC000888989243 586254490 /nfs/dbraw/zinc/25/44/90/586254490.db2.gz BZNFFNXVVARUKS-UHFFFAOYSA-N 1 1 329.400 0.473 20 30 ECEDMO CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@@H+](C)CC1 ZINC000888989243 586254491 /nfs/dbraw/zinc/25/44/91/586254491.db2.gz BZNFFNXVVARUKS-UHFFFAOYSA-N 1 1 329.400 0.473 20 30 ECEDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000892818113 586293765 /nfs/dbraw/zinc/29/37/65/586293765.db2.gz IREDHGGHTVIHOG-ZBFHGGJFSA-N 1 1 349.431 0.897 20 30 ECEDMO C[C@H](CNC(=O)NCC#C[C@H]1CCCCO1)CN1CC[NH+](C)CC1 ZINC000893236633 586318275 /nfs/dbraw/zinc/31/82/75/586318275.db2.gz IJUOWYSZOOGQMV-IAGOWNOFSA-N 1 1 336.480 0.742 20 30 ECEDMO C[NH+]1CCN(c2ncc(CNCc3nc(C#N)cs3)cn2)CC1 ZINC000897631778 586353382 /nfs/dbraw/zinc/35/33/82/586353382.db2.gz ARIWPTVKXAMPHH-UHFFFAOYSA-N 1 1 329.433 0.846 20 30 ECEDMO C[C@](N)(C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)c1ccc(Br)cc1 ZINC000841849949 586380430 /nfs/dbraw/zinc/38/04/30/586380430.db2.gz QJXWDSCSKTXMOJ-MRCXROJRSA-N 1 1 337.221 0.851 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000899115569 586471202 /nfs/dbraw/zinc/47/12/02/586471202.db2.gz RGDUTFKMVVCVIP-QGZVFWFLSA-N 1 1 328.412 0.874 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000899115569 586471203 /nfs/dbraw/zinc/47/12/03/586471203.db2.gz RGDUTFKMVVCVIP-QGZVFWFLSA-N 1 1 328.412 0.874 20 30 ECEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900135647 586526097 /nfs/dbraw/zinc/52/60/97/586526097.db2.gz XNHHVROCGIXRIQ-AEFFLSMTSA-N 1 1 331.416 0.988 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000900486415 586635700 /nfs/dbraw/zinc/63/57/00/586635700.db2.gz VHWSCZHXTWWNGS-QAPCUYQASA-N 1 1 328.416 0.662 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000900528050 586640094 /nfs/dbraw/zinc/64/00/94/586640094.db2.gz DGOTUTNAOFNGGW-QAPCUYQASA-N 1 1 343.431 0.493 20 30 ECEDMO C[C@H](CNC(=O)c1cccc(C#CCO)c1)CN1CC[NH+](C)CC1 ZINC000900692206 586656817 /nfs/dbraw/zinc/65/68/17/586656817.db2.gz GTOSQFRNUPWRJX-MRXNPFEDSA-N 1 1 329.444 0.644 20 30 ECEDMO C#CC[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000889222651 586768984 /nfs/dbraw/zinc/76/89/84/586768984.db2.gz WXKJBUQVFCJKIA-INIZCTEOSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCC1(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CCOCC1 ZINC000888383812 586775637 /nfs/dbraw/zinc/77/56/37/586775637.db2.gz FZXQVJUIBFIPAG-INIZCTEOSA-N 1 1 336.480 0.742 20 30 ECEDMO N#Cc1ccc(N2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cn1 ZINC000903781890 586814803 /nfs/dbraw/zinc/81/48/03/586814803.db2.gz WVSAVSGLSDBKQD-MSOLQXFVSA-N 1 1 327.432 0.844 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)C1 ZINC000804899444 586862496 /nfs/dbraw/zinc/86/24/96/586862496.db2.gz DSKXGPOVRLVNLF-AWEZNQCLSA-N 1 1 348.378 0.150 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCNC(=O)CO)CC2)cc1 ZINC000905555289 586900585 /nfs/dbraw/zinc/90/05/85/586900585.db2.gz RZJKFSKPNMMNDG-UHFFFAOYSA-N 1 1 344.415 0.091 20 30 ECEDMO CCO[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)C[NH+](C)C ZINC000905578422 586903710 /nfs/dbraw/zinc/90/37/10/586903710.db2.gz DUHKCOPRABVSCG-HNNXBMFYSA-N 1 1 339.461 0.888 20 30 ECEDMO CCO[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)C[NH+](C)C ZINC000905580230 586903715 /nfs/dbraw/zinc/90/37/15/586903715.db2.gz LZWBDPBQAOGWOI-AWEZNQCLSA-N 1 1 340.449 0.283 20 30 ECEDMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801554462 586999373 /nfs/dbraw/zinc/99/93/73/586999373.db2.gz HILAIXXAWDQYHK-UHFFFAOYSA-N 1 1 337.449 0.357 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCCO[C@@H](C)C#N)CC1=O ZINC000801861506 587005031 /nfs/dbraw/zinc/00/50/31/587005031.db2.gz IISAKNOYUYROSX-SOUVJXGZSA-N 1 1 337.420 0.791 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCO[C@H](C)C#N)CC1 ZINC000801917734 587006116 /nfs/dbraw/zinc/00/61/16/587006116.db2.gz NNACFEQRZNERNY-CYBMUJFWSA-N 1 1 325.409 0.649 20 30 ECEDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCO[C@H](C)C#N)CC1 ZINC000801917734 587006119 /nfs/dbraw/zinc/00/61/19/587006119.db2.gz NNACFEQRZNERNY-CYBMUJFWSA-N 1 1 325.409 0.649 20 30 ECEDMO C=CCN1CCN(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)C1=O ZINC000839973148 587024460 /nfs/dbraw/zinc/02/44/60/587024460.db2.gz IZYOKRJDILMYFW-HUUCEWRRSA-N 1 1 338.452 0.731 20 30 ECEDMO N#CCOc1ccc(CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc1 ZINC000808160877 587146606 /nfs/dbraw/zinc/14/66/06/587146606.db2.gz YQGMCDJGOYCTEV-CVEARBPZSA-N 1 1 329.400 0.799 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H]1CCCO1 ZINC000809311587 587174973 /nfs/dbraw/zinc/17/49/73/587174973.db2.gz XZYZPPZKAFBIFM-SJORKVTESA-N 1 1 347.459 0.760 20 30 ECEDMO CC(C[C@H]1CCC(=O)N1)=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000811631916 587222649 /nfs/dbraw/zinc/22/26/49/587222649.db2.gz SABWNFTYOXBRHP-CYBMUJFWSA-N 1 1 341.481 0.217 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000815092967 587282178 /nfs/dbraw/zinc/28/21/78/587282178.db2.gz XVCUHNQMMWSVHV-AWEZNQCLSA-N 1 1 326.400 0.659 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(C)c1C(F)F ZINC000815861699 587300470 /nfs/dbraw/zinc/30/04/70/587300470.db2.gz VVZJQZARGGGJEW-UHFFFAOYSA-N 1 1 327.335 0.368 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1-n1cncn1 ZINC000815860413 587300603 /nfs/dbraw/zinc/30/06/03/587300603.db2.gz KKDDZWNMRIXJHL-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000816756168 587324016 /nfs/dbraw/zinc/32/40/16/587324016.db2.gz RTUGYFOHRJESTQ-CABCVRRESA-N 1 1 333.388 0.384 20 30 ECEDMO O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000816756168 587324017 /nfs/dbraw/zinc/32/40/17/587324017.db2.gz RTUGYFOHRJESTQ-CABCVRRESA-N 1 1 333.388 0.384 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)c1 ZINC000817817091 587386938 /nfs/dbraw/zinc/38/69/38/587386938.db2.gz LXROZYCSEVFDLC-KRWDZBQOSA-N 1 1 343.427 0.511 20 30 ECEDMO CC(C)n1cncc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000819806556 587492066 /nfs/dbraw/zinc/49/20/66/587492066.db2.gz QPDXYRNIHQYRNB-UHFFFAOYSA-N 1 1 338.481 0.984 20 30 ECEDMO C=C[C@](C)(O)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822410793 587658599 /nfs/dbraw/zinc/65/85/99/587658599.db2.gz DNIDQPDATBZECF-KRWDZBQOSA-N 1 1 341.452 0.982 20 30 ECEDMO C#C[C@@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)C1CCOCC1 ZINC000823164056 587706973 /nfs/dbraw/zinc/70/69/73/587706973.db2.gz RDDAAJAEMVPJEC-QGZVFWFLSA-N 1 1 338.496 0.940 20 30 ECEDMO C#C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C1CCOCC1 ZINC000823164056 587706975 /nfs/dbraw/zinc/70/69/75/587706975.db2.gz RDDAAJAEMVPJEC-QGZVFWFLSA-N 1 1 338.496 0.940 20 30 ECEDMO N#CCCN1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826382278 588037255 /nfs/dbraw/zinc/03/72/55/588037255.db2.gz WRWQZFFDKOVBPY-UHFFFAOYSA-N 1 1 327.392 0.777 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000827436880 588120485 /nfs/dbraw/zinc/12/04/85/588120485.db2.gz YOQAPMLQHYMRIG-JKSUJKDBSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CSCN2C(=O)OCC)C1 ZINC000829581604 588331163 /nfs/dbraw/zinc/33/11/63/588331163.db2.gz BGWGLWMTRXQTQP-OLZOCXBDSA-N 1 1 325.434 0.732 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CSCN2C(=O)OCC)C1 ZINC000829581604 588331165 /nfs/dbraw/zinc/33/11/65/588331165.db2.gz BGWGLWMTRXQTQP-OLZOCXBDSA-N 1 1 325.434 0.732 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000829773763 588341076 /nfs/dbraw/zinc/34/10/76/588341076.db2.gz SUWOUURNNCHYOV-JKSUJKDBSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC1CC[NH+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000830333982 588368873 /nfs/dbraw/zinc/36/88/73/588368873.db2.gz RZKPYQNKQJIPAC-UHFFFAOYSA-N 1 1 347.440 0.568 20 30 ECEDMO C#CCN(CC(=O)NCC[N@H+]1CCCOCC1)C(=O)OC(C)(C)C ZINC000832707892 588498771 /nfs/dbraw/zinc/49/87/71/588498771.db2.gz GJOAXNOKBCLHPD-UHFFFAOYSA-N 1 1 339.436 0.695 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366134 589109575 /nfs/dbraw/zinc/10/95/75/589109575.db2.gz HJBBGPRKBXYGNZ-ABAIWWIYSA-N 1 1 330.388 0.900 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366134 589109576 /nfs/dbraw/zinc/10/95/76/589109576.db2.gz HJBBGPRKBXYGNZ-ABAIWWIYSA-N 1 1 330.388 0.900 20 30 ECEDMO CC(C)(C)OC(=O)N1CC[C@@](O)(C[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000847009655 589232777 /nfs/dbraw/zinc/23/27/77/589232777.db2.gz KNTRYRNBLQVAJX-JKSUJKDBSA-N 1 1 325.409 0.709 20 30 ECEDMO O=C(N[C@H]1CCCN(O)C1=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000848137019 589279805 /nfs/dbraw/zinc/27/98/05/589279805.db2.gz WOPZQEZIKQDUFM-YOEHRIQHSA-N 1 1 333.388 0.120 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cncc2c1CCCC2 ZINC000850460044 589367249 /nfs/dbraw/zinc/36/72/49/589367249.db2.gz NNYYOWATMYUPLM-UHFFFAOYSA-N 1 1 328.416 0.970 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1CCCC1 ZINC000850660051 589376827 /nfs/dbraw/zinc/37/68/27/589376827.db2.gz YBGSPGHTSZXTKO-QGZVFWFLSA-N 1 1 347.459 0.448 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000850683785 589379220 /nfs/dbraw/zinc/37/92/20/589379220.db2.gz XHKQLBSXZOKGLB-GASCZTMLSA-N 1 1 341.452 0.263 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000850683785 589379223 /nfs/dbraw/zinc/37/92/23/589379223.db2.gz XHKQLBSXZOKGLB-GASCZTMLSA-N 1 1 341.452 0.263 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCn2cnc(Br)n2)C1=O ZINC000852007500 589437904 /nfs/dbraw/zinc/43/79/04/589437904.db2.gz NVJLFRDIHHSMRK-SNVBAGLBSA-N 1 1 328.214 0.759 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCn2cnc(Br)n2)C1=O ZINC000852007500 589437905 /nfs/dbraw/zinc/43/79/05/589437905.db2.gz NVJLFRDIHHSMRK-SNVBAGLBSA-N 1 1 328.214 0.759 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000852357426 589492372 /nfs/dbraw/zinc/49/23/72/589492372.db2.gz AZNUPQKWXXWGJH-UHFFFAOYSA-N 1 1 343.371 0.218 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000852357426 589492374 /nfs/dbraw/zinc/49/23/74/589492374.db2.gz AZNUPQKWXXWGJH-UHFFFAOYSA-N 1 1 343.371 0.218 20 30 ECEDMO C#CCC[N@@H+](CCOC)CN1C[C@](CO)(c2ccccn2)CC1=O ZINC000853620783 589552461 /nfs/dbraw/zinc/55/24/61/589552461.db2.gz DFYPZXJXBOPVRS-GOSISDBHSA-N 1 1 331.416 0.473 20 30 ECEDMO C#CCC[N@H+](CCOC)CN1C[C@](CO)(c2ccccn2)CC1=O ZINC000853620783 589552462 /nfs/dbraw/zinc/55/24/62/589552462.db2.gz DFYPZXJXBOPVRS-GOSISDBHSA-N 1 1 331.416 0.473 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000854105867 589571317 /nfs/dbraw/zinc/57/13/17/589571317.db2.gz LRLQIEJJEAVBHM-UHFFFAOYSA-N 1 1 345.447 0.795 20 30 ECEDMO C#CCN(C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000854314245 589579311 /nfs/dbraw/zinc/57/93/11/589579311.db2.gz HDAODPQMWSKOSA-UONOGXRCSA-N 1 1 341.477 0.691 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000855288718 589625946 /nfs/dbraw/zinc/62/59/46/589625946.db2.gz LEWQHQYECVPNJH-SUQMRRJOSA-N 1 1 334.420 0.892 20 30 ECEDMO C#CCCN(CCOC)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000856391084 589662679 /nfs/dbraw/zinc/66/26/79/589662679.db2.gz NAHWWLUYKYXLFM-IRXDYDNUSA-N 1 1 332.448 0.954 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@H]3CCC[C@@H]32)CC1 ZINC000859951104 589730778 /nfs/dbraw/zinc/73/07/78/589730778.db2.gz JOTYHHIUAIKEHO-IKGGRYGDSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[C@H](COC)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000858532242 589754792 /nfs/dbraw/zinc/75/47/92/589754792.db2.gz HXWDOWDSNRXDNP-OAHLLOKOSA-N 1 1 339.436 0.205 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000866675576 589757006 /nfs/dbraw/zinc/75/70/06/589757006.db2.gz OKZQQUMVODMZPY-ZIAGYGMSSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000866675576 589757008 /nfs/dbraw/zinc/75/70/08/589757008.db2.gz OKZQQUMVODMZPY-ZIAGYGMSSA-N 1 1 339.392 0.839 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000859020411 589793089 /nfs/dbraw/zinc/79/30/89/589793089.db2.gz KWKUQXDWTCYHSL-GJZGRUSLSA-N 1 1 339.436 0.694 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000859020411 589793090 /nfs/dbraw/zinc/79/30/90/589793090.db2.gz KWKUQXDWTCYHSL-GJZGRUSLSA-N 1 1 339.436 0.694 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCS(=O)(=O)C1 ZINC000867948685 589864543 /nfs/dbraw/zinc/86/45/43/589864543.db2.gz BQPALMCGWSIVPS-HOCLYGCPSA-N 1 1 333.413 0.438 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2coc(C#N)c2)CC1=O ZINC000868389220 589900862 /nfs/dbraw/zinc/90/08/62/589900862.db2.gz YFZNGHVWKXFJKG-CYBMUJFWSA-N 1 1 334.376 0.060 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCc2nc(COC)ncc2C1 ZINC000868653855 589919463 /nfs/dbraw/zinc/91/94/63/589919463.db2.gz UOXQVRAVTVIORZ-UHFFFAOYSA-N 1 1 331.420 0.646 20 30 ECEDMO Cn1cc(C=NNCCC[NH+]2CCOCC2)c(Br)n1 ZINC000863110956 589989999 /nfs/dbraw/zinc/98/99/99/589989999.db2.gz INCAEBUUHQKDLI-UHFFFAOYSA-N 1 1 330.230 0.828 20 30 ECEDMO C#CC[C@H](COC)NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000863799612 590039486 /nfs/dbraw/zinc/03/94/86/590039486.db2.gz MUCSTVNTMXYHSP-ARFHVFGLSA-N 1 1 335.448 0.474 20 30 ECEDMO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(C#N)c1 ZINC000872493386 590121201 /nfs/dbraw/zinc/12/12/01/590121201.db2.gz SPEYKGBOOPSDCG-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c(C#N)c1 ZINC000872493386 590121202 /nfs/dbraw/zinc/12/12/02/590121202.db2.gz SPEYKGBOOPSDCG-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)s1 ZINC000872617823 590133779 /nfs/dbraw/zinc/13/37/79/590133779.db2.gz WCAMNLAWHUDWBA-WDEREUQCSA-N 1 1 327.431 0.449 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)s1 ZINC000872617823 590133781 /nfs/dbraw/zinc/13/37/81/590133781.db2.gz WCAMNLAWHUDWBA-WDEREUQCSA-N 1 1 327.431 0.449 20 30 ECEDMO C=C(Cl)C[C@H]1NC(=O)N(C2CC[NH+](CC(=O)N(C)C)CC2)C1=O ZINC000865302815 590138397 /nfs/dbraw/zinc/13/83/97/590138397.db2.gz VCLWIPBJGRVANC-GFCCVEGCSA-N 1 1 342.827 0.602 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000873710942 590197267 /nfs/dbraw/zinc/19/72/67/590197267.db2.gz WSLNJGCQHSEAGA-CYBMUJFWSA-N 1 1 347.394 0.306 20 30 ECEDMO N#Cc1cc(F)cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000873718174 590198164 /nfs/dbraw/zinc/19/81/64/590198164.db2.gz LMZQYSJPNDRZBQ-CABCVRRESA-N 1 1 346.362 0.615 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000873854675 590206216 /nfs/dbraw/zinc/20/62/16/590206216.db2.gz BBMKUDAOWSCSEU-BETUJISGSA-N 1 1 330.363 0.964 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC[C@@H]21 ZINC000874172321 590223921 /nfs/dbraw/zinc/22/39/21/590223921.db2.gz JJDLERXUKPOMSH-OLZOCXBDSA-N 1 1 330.392 0.288 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000874997855 590261557 /nfs/dbraw/zinc/26/15/57/590261557.db2.gz YVHBSKJAMDBSCJ-IRXDYDNUSA-N 1 1 343.427 0.532 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000875604367 590314581 /nfs/dbraw/zinc/31/45/81/590314581.db2.gz MFKFTFSSEOKQTC-OAHLLOKOSA-N 1 1 344.415 0.193 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000875604225 590314600 /nfs/dbraw/zinc/31/46/00/590314600.db2.gz KKSVPKQQTAUWPG-JKSUJKDBSA-N 1 1 335.448 0.331 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000880136041 590370567 /nfs/dbraw/zinc/37/05/67/590370567.db2.gz DRFONAPILBEJIK-BZSNNMDCSA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C)CC1 ZINC000880136041 590370570 /nfs/dbraw/zinc/37/05/70/590370570.db2.gz DRFONAPILBEJIK-BZSNNMDCSA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H]3[C@@H]2CCCN3C)CC1 ZINC000880136041 590370572 /nfs/dbraw/zinc/37/05/72/590370572.db2.gz DRFONAPILBEJIK-BZSNNMDCSA-N 1 1 347.507 0.847 20 30 ECEDMO CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876526353 590385219 /nfs/dbraw/zinc/38/52/19/590385219.db2.gz SDHHIENYOCAUEI-KRWDZBQOSA-N 1 1 327.432 0.109 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880589543 590409967 /nfs/dbraw/zinc/40/99/67/590409967.db2.gz UWZJZRYWAWWGBD-CHWSQXEVSA-N 1 1 325.409 0.250 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)Nc2cccc(CC#N)n2)CC[N@@H+](C)C1 ZINC000881143586 590438730 /nfs/dbraw/zinc/43/87/30/590438730.db2.gz CFUSRGCASFCZOT-GFCCVEGCSA-N 1 1 331.376 0.716 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000877894042 590485190 /nfs/dbraw/zinc/48/51/90/590485190.db2.gz XKWIHIVYBPENHE-INIZCTEOSA-N 1 1 339.480 0.352 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC([C@@H](F)C(N)=O)CC2)c1 ZINC000879048606 590560210 /nfs/dbraw/zinc/56/02/10/590560210.db2.gz XAVRRALXOVIOSZ-MRXNPFEDSA-N 1 1 332.379 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)N2CCOCC2)C1 ZINC000884046769 590716863 /nfs/dbraw/zinc/71/68/63/590716863.db2.gz RNHAISADTGFNEK-IRXDYDNUSA-N 1 1 336.480 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)N2CCOCC2)C1 ZINC000884046769 590716867 /nfs/dbraw/zinc/71/68/67/590716867.db2.gz RNHAISADTGFNEK-IRXDYDNUSA-N 1 1 336.480 0.740 20 30 ECEDMO N#CC1(C[C@H](O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CCC1 ZINC000886081150 590792885 /nfs/dbraw/zinc/79/28/85/590792885.db2.gz JJPNHCADJORAQE-JKSUJKDBSA-N 1 1 334.464 0.845 20 30 ECEDMO N#CC1(C[C@H](O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CCC1 ZINC000886081150 590792888 /nfs/dbraw/zinc/79/28/88/590792888.db2.gz JJPNHCADJORAQE-JKSUJKDBSA-N 1 1 334.464 0.845 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886212447 590815998 /nfs/dbraw/zinc/81/59/98/590815998.db2.gz VXQKLCXDFXZDSO-VNHYZAJKSA-N 1 1 325.434 0.256 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886212447 590815999 /nfs/dbraw/zinc/81/59/99/590815999.db2.gz VXQKLCXDFXZDSO-VNHYZAJKSA-N 1 1 325.434 0.256 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000884611598 590870895 /nfs/dbraw/zinc/87/08/95/590870895.db2.gz PNKKNIHXLFBSLP-CYBMUJFWSA-N 1 1 346.391 0.731 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000884611598 590870897 /nfs/dbraw/zinc/87/08/97/590870897.db2.gz PNKKNIHXLFBSLP-CYBMUJFWSA-N 1 1 346.391 0.731 20 30 ECEDMO N#Cc1ccc(OCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000889782989 591095505 /nfs/dbraw/zinc/09/55/05/591095505.db2.gz WIGMUGBRXCDNTI-DLBZAZTESA-N 1 1 329.400 0.995 20 30 ECEDMO N#CCc1cccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)n1 ZINC000889920918 591109454 /nfs/dbraw/zinc/10/94/54/591109454.db2.gz JYFYQEKQEQQGKG-UHFFFAOYSA-N 1 1 333.417 0.251 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC([C@@H](F)C(=O)OCC)C2)C1 ZINC000890363709 591151775 /nfs/dbraw/zinc/15/17/75/591151775.db2.gz RSBTXUSRWULTSF-UONOGXRCSA-N 1 1 325.384 0.627 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC([C@@H](F)C(=O)OCC)C2)C1 ZINC000890363709 591151777 /nfs/dbraw/zinc/15/17/77/591151777.db2.gz RSBTXUSRWULTSF-UONOGXRCSA-N 1 1 325.384 0.627 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000890367995 591152722 /nfs/dbraw/zinc/15/27/22/591152722.db2.gz ZSZXHCLZIQHWML-CVEARBPZSA-N 1 1 336.480 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccn(CC(=O)N(C)C)n2)C1 ZINC000890372671 591154511 /nfs/dbraw/zinc/15/45/11/591154511.db2.gz MIUOWJUBKZJVLS-ZDUSSCGKSA-N 1 1 332.408 0.190 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccn(CC(=O)N(C)C)n2)C1 ZINC000890372671 591154514 /nfs/dbraw/zinc/15/45/14/591154514.db2.gz MIUOWJUBKZJVLS-ZDUSSCGKSA-N 1 1 332.408 0.190 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000890376052 591154706 /nfs/dbraw/zinc/15/47/06/591154706.db2.gz ADLYKCVZNQPLQK-DLBZAZTESA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000890376052 591154710 /nfs/dbraw/zinc/15/47/10/591154710.db2.gz ADLYKCVZNQPLQK-DLBZAZTESA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000922629212 611356497 /nfs/dbraw/zinc/35/64/97/611356497.db2.gz WMDSWPPEPPPYCG-RHSMWYFYSA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)NCc2nc(-c3ccccn3)n[nH]2)CC1 ZINC000922777058 611360353 /nfs/dbraw/zinc/36/03/53/611360353.db2.gz YEUJPIWUZHGVOO-UHFFFAOYSA-N 1 1 339.403 0.764 20 30 ECEDMO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1CCC(C#N)CC1 ZINC000929881296 611364222 /nfs/dbraw/zinc/36/42/22/611364222.db2.gz QARCUPIFVLKKQG-JXQTWKCFSA-N 1 1 327.450 0.551 20 30 ECEDMO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1CCC(C#N)CC1 ZINC000929881296 611364224 /nfs/dbraw/zinc/36/42/24/611364224.db2.gz QARCUPIFVLKKQG-JXQTWKCFSA-N 1 1 327.450 0.551 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2nccs2)CC1 ZINC000947985661 611369637 /nfs/dbraw/zinc/36/96/37/611369637.db2.gz XUVWHHRAPJCDIA-AWEZNQCLSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2nccs2)CC1 ZINC000947985661 611369641 /nfs/dbraw/zinc/36/96/41/611369641.db2.gz XUVWHHRAPJCDIA-AWEZNQCLSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C[C@H]1C ZINC000947991065 611371708 /nfs/dbraw/zinc/37/17/08/611371708.db2.gz WMBLCWPIXIUCOY-TZMCWYRMSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc4c3CC(=O)N4)CC[C@@H]2C1 ZINC000946662683 611400370 /nfs/dbraw/zinc/40/03/70/611400370.db2.gz IOHJLUNKZFEPFR-OKILXGFUSA-N 1 1 338.411 0.993 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731288 611441188 /nfs/dbraw/zinc/44/11/88/611441188.db2.gz KKIFFRMHQLGXAV-KSZLIROESA-N 1 1 333.476 0.899 20 30 ECEDMO N#Cc1ccc(-c2cc(N3CC[NH+](C[C@H](O)CO)CC3)n[nH]2)cc1 ZINC000930994528 611494600 /nfs/dbraw/zinc/49/46/00/611494600.db2.gz XTXIEQJGLLNROF-HNNXBMFYSA-N 1 1 327.388 0.424 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000948277946 611498896 /nfs/dbraw/zinc/49/88/96/611498896.db2.gz NZBJEZABXISZEY-JSGCOSHPSA-N 1 1 331.420 0.947 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947369407 611501650 /nfs/dbraw/zinc/50/16/50/611501650.db2.gz LURQQOLXLMZIAR-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)NC2CCN(C(=O)OCC)CC2)CC1 ZINC000931144781 611510973 /nfs/dbraw/zinc/51/09/73/611510973.db2.gz DZFDFYMWDQALMY-UHFFFAOYSA-N 1 1 337.420 0.184 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000948306950 611512545 /nfs/dbraw/zinc/51/25/45/611512545.db2.gz SKXCMQXTRHVXQV-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000948315816 611517185 /nfs/dbraw/zinc/51/71/85/611517185.db2.gz GYTWYIKWNHKAQD-DOMZBBRYSA-N 1 1 331.420 0.947 20 30 ECEDMO C[N@@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1CO ZINC000931403179 611536344 /nfs/dbraw/zinc/53/63/44/611536344.db2.gz IWVVJJFQQWGFEH-DLBZAZTESA-N 1 1 328.416 0.662 20 30 ECEDMO C[N@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1CO ZINC000931403179 611536346 /nfs/dbraw/zinc/53/63/46/611536346.db2.gz IWVVJJFQQWGFEH-DLBZAZTESA-N 1 1 328.416 0.662 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cn(CCOC)nn2)CC1 ZINC000948358255 611545207 /nfs/dbraw/zinc/54/52/07/611545207.db2.gz XURSZNICVHQXED-HNNXBMFYSA-N 1 1 333.436 0.874 20 30 ECEDMO COC1(OC)CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1O ZINC000931637511 611558927 /nfs/dbraw/zinc/55/89/27/611558927.db2.gz WDCTWVVZNYWNQF-JKSUJKDBSA-N 1 1 345.399 0.719 20 30 ECEDMO COC1(OC)CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1O ZINC000931637511 611558929 /nfs/dbraw/zinc/55/89/29/611558929.db2.gz WDCTWVVZNYWNQF-JKSUJKDBSA-N 1 1 345.399 0.719 20 30 ECEDMO COC1(OC)CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H]1O ZINC000931641830 611560716 /nfs/dbraw/zinc/56/07/16/611560716.db2.gz JCNXGCNULYMJRP-UMVBOHGHSA-N 1 1 327.425 0.485 20 30 ECEDMO COC1(OC)CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H]1O ZINC000931641830 611560717 /nfs/dbraw/zinc/56/07/17/611560717.db2.gz JCNXGCNULYMJRP-UMVBOHGHSA-N 1 1 327.425 0.485 20 30 ECEDMO N#CC[C@@H](O)CN1CC[N@H+](C[C@H](O)CC#N)[C@@H](Cc2ccccc2)C1 ZINC000931735158 611567091 /nfs/dbraw/zinc/56/70/91/611567091.db2.gz YPBWBTXNGGTHBX-IPMKNSEASA-N 1 1 342.443 0.764 20 30 ECEDMO N#CC[C@@H](O)CN1CC[N@@H+](C[C@H](O)CC#N)[C@@H](Cc2ccccc2)C1 ZINC000931735158 611567093 /nfs/dbraw/zinc/56/70/93/611567093.db2.gz YPBWBTXNGGTHBX-IPMKNSEASA-N 1 1 342.443 0.764 20 30 ECEDMO N#CC[C@@H](O)CN1CC[N@H+](C[C@H](O)CC#N)C[C@@H]1Cc1ccccc1 ZINC000931735158 611567094 /nfs/dbraw/zinc/56/70/94/611567094.db2.gz YPBWBTXNGGTHBX-IPMKNSEASA-N 1 1 342.443 0.764 20 30 ECEDMO N#CC[C@@H](O)CN1CC[N@@H+](C[C@H](O)CC#N)C[C@@H]1Cc1ccccc1 ZINC000931735158 611567096 /nfs/dbraw/zinc/56/70/96/611567096.db2.gz YPBWBTXNGGTHBX-IPMKNSEASA-N 1 1 342.443 0.764 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@@H]1C ZINC000947524293 611579956 /nfs/dbraw/zinc/57/99/56/611579956.db2.gz RMSMSJJCERPZSY-GJZGRUSLSA-N 1 1 346.431 0.496 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000948419082 611584977 /nfs/dbraw/zinc/58/49/77/611584977.db2.gz WRAQYKSYBPECQC-DOMZBBRYSA-N 1 1 343.431 0.805 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCCS2(=O)=O)CC1 ZINC000948421133 611585765 /nfs/dbraw/zinc/58/57/65/611585765.db2.gz LOUSLESHYLEFIB-HNNXBMFYSA-N 1 1 343.493 0.911 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C[C@H]1C ZINC000947546366 611590223 /nfs/dbraw/zinc/59/02/23/611590223.db2.gz GNQXOJVWQQNVTC-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2nc3ncc(C)cn3n2)CC1 ZINC000948467722 611610701 /nfs/dbraw/zinc/61/07/01/611610701.db2.gz WMQDUFOTWORDRX-CQSZACIVSA-N 1 1 326.404 0.992 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000947615308 611620332 /nfs/dbraw/zinc/62/03/32/611620332.db2.gz HPDAONRXSNZEFT-IUODEOHRSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccccc1C#N ZINC000947627840 611624862 /nfs/dbraw/zinc/62/48/62/611624862.db2.gz AAYLRVJXJRYPIV-DOMZBBRYSA-N 1 1 339.403 0.865 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccccc1C#N ZINC000947627840 611624866 /nfs/dbraw/zinc/62/48/66/611624866.db2.gz AAYLRVJXJRYPIV-DOMZBBRYSA-N 1 1 339.403 0.865 20 30 ECEDMO COc1ncc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1C#N ZINC000932511177 611636032 /nfs/dbraw/zinc/63/60/32/611636032.db2.gz BCJLHPNYSJGXBE-CYBMUJFWSA-N 1 1 346.435 0.967 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3cnn(CC)n3)CC2)C1 ZINC000949358290 608650970 /nfs/dbraw/zinc/65/09/70/608650970.db2.gz NJGHOLVLURUCGN-UHFFFAOYSA-N 1 1 331.420 0.628 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC000949379119 608659812 /nfs/dbraw/zinc/65/98/12/608659812.db2.gz ONTKRWYISJBLJE-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1 ZINC000949391772 608666398 /nfs/dbraw/zinc/66/63/98/608666398.db2.gz WKHKTRPQJCMDPM-UHFFFAOYSA-N 1 1 332.404 0.754 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC000949526237 608738566 /nfs/dbraw/zinc/73/85/66/608738566.db2.gz KLPCRHWJAFPVFB-UHFFFAOYSA-N 1 1 343.427 0.565 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC000947464545 608764864 /nfs/dbraw/zinc/76/48/64/608764864.db2.gz VYRHEXVYRRUVGW-RYUDHWBXSA-N 1 1 327.816 0.303 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC000947464545 608764869 /nfs/dbraw/zinc/76/48/69/608764869.db2.gz VYRHEXVYRRUVGW-RYUDHWBXSA-N 1 1 327.816 0.303 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@@H]1C ZINC000947796513 608786441 /nfs/dbraw/zinc/78/64/41/608786441.db2.gz NTENSAXWMZRSLR-LSDHHAIUSA-N 1 1 348.451 0.724 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@]2(C)CCOC2)CC1 ZINC000947229796 608794333 /nfs/dbraw/zinc/79/43/33/608794333.db2.gz HKYLFJQJQLTAHW-LPHOPBHVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@]2(C)CCOC2)CC1 ZINC000947229796 608794337 /nfs/dbraw/zinc/79/43/37/608794337.db2.gz HKYLFJQJQLTAHW-LPHOPBHVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@H](C)C2)c1 ZINC000947710165 611662237 /nfs/dbraw/zinc/66/22/37/611662237.db2.gz KWIHVOXSFKXVAX-PBHICJAKSA-N 1 1 338.415 0.937 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C[C@@H]1C ZINC000947491995 608810984 /nfs/dbraw/zinc/81/09/84/608810984.db2.gz DKUFDWLANDKYHL-HOCLYGCPSA-N 1 1 331.416 0.711 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C[C@H]1C ZINC000947547286 608884391 /nfs/dbraw/zinc/88/43/91/608884391.db2.gz QCWQXZJJOKBRMA-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947205354 608919805 /nfs/dbraw/zinc/91/98/05/608919805.db2.gz PIYYMJLBEICRRB-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937061232 608936902 /nfs/dbraw/zinc/93/69/02/608936902.db2.gz HTFOCQIRXVYMJX-ZFWWWQNUSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCC#CCO)c2)CCO1 ZINC000923781850 608940829 /nfs/dbraw/zinc/94/08/29/608940829.db2.gz DOQSRJRZHDBTOU-OAHLLOKOSA-N 1 1 331.416 0.702 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCC#CCO)c2)CCO1 ZINC000923781850 608940830 /nfs/dbraw/zinc/94/08/30/608940830.db2.gz DOQSRJRZHDBTOU-OAHLLOKOSA-N 1 1 331.416 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccncc2)C1 ZINC000937611447 608965336 /nfs/dbraw/zinc/96/53/36/608965336.db2.gz JSLCAKOHRTZPDJ-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccncc2)C1 ZINC000937611447 608965338 /nfs/dbraw/zinc/96/53/38/608965338.db2.gz JSLCAKOHRTZPDJ-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccccn2)C1 ZINC000937611482 608965493 /nfs/dbraw/zinc/96/54/93/608965493.db2.gz ONTJZHXWNNMSFK-HOCLYGCPSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccccn2)C1 ZINC000937611482 608965496 /nfs/dbraw/zinc/96/54/96/608965496.db2.gz ONTJZHXWNNMSFK-HOCLYGCPSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000937740792 609048859 /nfs/dbraw/zinc/04/88/59/609048859.db2.gz IPEUXZXTVDAFCF-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000937740792 609048863 /nfs/dbraw/zinc/04/88/63/609048863.db2.gz IPEUXZXTVDAFCF-JYJNAYRXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCN3C)C2)CC1 ZINC000937756048 609060796 /nfs/dbraw/zinc/06/07/96/609060796.db2.gz MLAJVGQMBWDRPZ-DLBZAZTESA-N 1 1 346.475 0.143 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000937975643 609445489 /nfs/dbraw/zinc/44/54/89/609445489.db2.gz NXXRWMJRUFHQGG-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC000938170795 609482972 /nfs/dbraw/zinc/48/29/72/609482972.db2.gz MWWVCCKTWYBSSA-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC000938170795 609482974 /nfs/dbraw/zinc/48/29/74/609482974.db2.gz MWWVCCKTWYBSSA-GJZGRUSLSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)sn2)C1 ZINC000938171079 609483167 /nfs/dbraw/zinc/48/31/67/609483167.db2.gz WCBMXBYBERCNIN-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)sn2)C1 ZINC000938171079 609483168 /nfs/dbraw/zinc/48/31/68/609483168.db2.gz WCBMXBYBERCNIN-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000923900516 609501841 /nfs/dbraw/zinc/50/18/41/609501841.db2.gz QICMTYOTNGPDMJ-MSOLQXFVSA-N 1 1 345.443 0.879 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000923900516 609501843 /nfs/dbraw/zinc/50/18/43/609501843.db2.gz QICMTYOTNGPDMJ-MSOLQXFVSA-N 1 1 345.443 0.879 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000908002615 609634797 /nfs/dbraw/zinc/63/47/97/609634797.db2.gz XXQYJQWKFUOZKA-JKSUJKDBSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000908002615 609634798 /nfs/dbraw/zinc/63/47/98/609634798.db2.gz XXQYJQWKFUOZKA-JKSUJKDBSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000908013361 609637006 /nfs/dbraw/zinc/63/70/06/609637006.db2.gz BGKCEMDHPKNHMG-HUUCEWRRSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000908013361 609637007 /nfs/dbraw/zinc/63/70/07/609637007.db2.gz BGKCEMDHPKNHMG-HUUCEWRRSA-N 1 1 336.417 0.173 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921322460 609703013 /nfs/dbraw/zinc/70/30/13/609703013.db2.gz SLHYIYFGYMQILV-UPJWGTAASA-N 1 1 332.495 0.492 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921322460 609703014 /nfs/dbraw/zinc/70/30/14/609703014.db2.gz SLHYIYFGYMQILV-UPJWGTAASA-N 1 1 332.495 0.492 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000938320945 609734758 /nfs/dbraw/zinc/73/47/58/609734758.db2.gz GGHIUSUUVRKGIJ-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO C=C(C)CC[NH+]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000948928169 609788791 /nfs/dbraw/zinc/78/87/91/609788791.db2.gz JFTJBNXKFJMCQN-UHFFFAOYSA-N 1 1 327.406 0.651 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CC#N)CCC(=O)OC)C1 ZINC000913737650 609817188 /nfs/dbraw/zinc/81/71/88/609817188.db2.gz VYIURJRRSXBKFS-CYBMUJFWSA-N 1 1 339.392 0.177 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CC#N)CCC(=O)OC)C1 ZINC000913737650 609817190 /nfs/dbraw/zinc/81/71/90/609817190.db2.gz VYIURJRRSXBKFS-CYBMUJFWSA-N 1 1 339.392 0.177 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000913761146 609820419 /nfs/dbraw/zinc/82/04/19/609820419.db2.gz ZKUFMCWXQSDWCP-CRAIPNDOSA-N 1 1 346.406 0.801 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cs1 ZINC000914017124 609843940 /nfs/dbraw/zinc/84/39/40/609843940.db2.gz PWGSBQKMBIBYHQ-OLZOCXBDSA-N 1 1 341.458 0.902 20 30 ECEDMO C[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000925403651 609847061 /nfs/dbraw/zinc/84/70/61/609847061.db2.gz NFTWCJQAUQNQQV-ZDUSSCGKSA-N 1 1 344.419 0.959 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000938539259 609857063 /nfs/dbraw/zinc/85/70/63/609857063.db2.gz GICQRHYQAVRSDD-UONOGXRCSA-N 1 1 329.404 0.511 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938545950 609861162 /nfs/dbraw/zinc/86/11/62/609861162.db2.gz QPSPEBGCNTYLKL-AWEZNQCLSA-N 1 1 340.387 0.764 20 30 ECEDMO COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000911720267 609907351 /nfs/dbraw/zinc/90/73/51/609907351.db2.gz XNZJXFNRKKIUSL-HZPDHXFCSA-N 1 1 340.468 0.416 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)Cc3csc(C#N)c3)[C@H]2C1 ZINC000915432490 609912363 /nfs/dbraw/zinc/91/23/63/609912363.db2.gz UHHFXEDDPGEBFR-KBPBESRZSA-N 1 1 341.458 0.854 20 30 ECEDMO N#Cc1cc(CS(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)cs1 ZINC000916014417 609929611 /nfs/dbraw/zinc/92/96/11/609929611.db2.gz DKTGKKZBIKUJFM-CYBMUJFWSA-N 1 1 343.474 0.886 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@@H](C)N1CC#N ZINC000916843260 609951163 /nfs/dbraw/zinc/95/11/63/609951163.db2.gz UNNRDZSDMLIZDZ-LVQVYYBASA-N 1 1 335.452 0.477 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC000938705573 609953754 /nfs/dbraw/zinc/95/37/54/609953754.db2.gz UNBQISIJBNBVOK-INIZCTEOSA-N 1 1 337.383 0.599 20 30 ECEDMO CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000912606687 609977160 /nfs/dbraw/zinc/97/71/60/609977160.db2.gz KBEQKBQHMQKHBS-QGZVFWFLSA-N 1 1 330.432 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC000938756270 609982043 /nfs/dbraw/zinc/98/20/43/609982043.db2.gz LQELFPAEULPRSH-PMPSAXMXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC000938756270 609982044 /nfs/dbraw/zinc/98/20/44/609982044.db2.gz LQELFPAEULPRSH-PMPSAXMXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cnccn2)C1 ZINC000938756874 609982558 /nfs/dbraw/zinc/98/25/58/609982558.db2.gz ZSAQDOQVPARFMR-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cnccn2)C1 ZINC000938756874 609982561 /nfs/dbraw/zinc/98/25/61/609982561.db2.gz ZSAQDOQVPARFMR-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000939009668 610068006 /nfs/dbraw/zinc/06/80/06/610068006.db2.gz CSTBJKAYTGDYBE-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000939009668 610068007 /nfs/dbraw/zinc/06/80/07/610068007.db2.gz CSTBJKAYTGDYBE-LSDHHAIUSA-N 1 1 337.464 0.979 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(CC)nn3)C2)c1 ZINC000939112280 610084268 /nfs/dbraw/zinc/08/42/68/610084268.db2.gz IIXIFBMUQSLXEF-CXAGYDPISA-N 1 1 338.415 0.925 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000939749740 610113543 /nfs/dbraw/zinc/11/35/43/610113543.db2.gz HZNABXACDPVSNN-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nccc(C)n3)C2)nn1 ZINC000939278302 610147014 /nfs/dbraw/zinc/14/70/14/610147014.db2.gz YFWDWLOVTZJUFH-TZMCWYRMSA-N 1 1 341.419 0.813 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000939914360 610167054 /nfs/dbraw/zinc/16/70/54/610167054.db2.gz YSPTVEAPESFICP-HOTGVXAUSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000939914360 610167056 /nfs/dbraw/zinc/16/70/56/610167056.db2.gz YSPTVEAPESFICP-HOTGVXAUSA-N 1 1 343.431 0.109 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)[nH]1 ZINC000940062467 610198717 /nfs/dbraw/zinc/19/87/17/610198717.db2.gz BILVVHAZIOABNR-KDOFPFPSSA-N 1 1 341.415 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000940240293 610252126 /nfs/dbraw/zinc/25/21/26/610252126.db2.gz HNJGRDGSPGYEKK-RFGFWPKPSA-N 1 1 339.386 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000940240293 610252127 /nfs/dbraw/zinc/25/21/27/610252127.db2.gz HNJGRDGSPGYEKK-RFGFWPKPSA-N 1 1 339.386 0.702 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000940287442 610259750 /nfs/dbraw/zinc/25/97/50/610259750.db2.gz GWCALGYCTXOSCV-DVOMOZLQSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2C[NH+](CCOC)C2)CC1 ZINC000941412892 610302576 /nfs/dbraw/zinc/30/25/76/610302576.db2.gz OKVBRQWRQZMBBM-SJORKVTESA-N 1 1 337.464 0.442 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccnn3C(F)F)CC2)C1 ZINC000941419687 610306072 /nfs/dbraw/zinc/30/60/72/610306072.db2.gz ARARSQIAJOIWSN-UHFFFAOYSA-N 1 1 337.374 0.744 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC000941423435 610308218 /nfs/dbraw/zinc/30/82/18/610308218.db2.gz YQJYSLXMTSBAHZ-HNNXBMFYSA-N 1 1 334.464 0.258 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCn4nccc43)CC2)C1 ZINC000941462459 610321159 /nfs/dbraw/zinc/32/11/59/610321159.db2.gz AHDXLGFIWZIQIW-MRXNPFEDSA-N 1 1 329.448 0.775 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000941463478 610321790 /nfs/dbraw/zinc/32/17/90/610321790.db2.gz YCMFDRAYZHLLIJ-HNNXBMFYSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3nc4ncc(C)cn4n3)CC2)C1 ZINC000941449315 610323845 /nfs/dbraw/zinc/32/38/45/610323845.db2.gz NDKQGKXPQDYEDF-UHFFFAOYSA-N 1 1 341.419 0.061 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000940651770 610324131 /nfs/dbraw/zinc/32/41/31/610324131.db2.gz LUTPADQOEUXTEP-UKRRQHHQSA-N 1 1 343.431 0.759 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)C1 ZINC000941467101 610328264 /nfs/dbraw/zinc/32/82/64/610328264.db2.gz ZEXHTQSAVNRQNU-INIZCTEOSA-N 1 1 343.475 0.850 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC000941465509 610334079 /nfs/dbraw/zinc/33/40/79/610334079.db2.gz OCOOUGKHIXGMFX-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC000941465509 610334080 /nfs/dbraw/zinc/33/40/80/610334080.db2.gz OCOOUGKHIXGMFX-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC000941487188 610338885 /nfs/dbraw/zinc/33/88/85/610338885.db2.gz GZCRHKQZEAZJBC-UHFFFAOYSA-N 1 1 330.432 0.734 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC000941487661 610339248 /nfs/dbraw/zinc/33/92/48/610339248.db2.gz PTNMLEGCRFYTMT-UHFFFAOYSA-N 1 1 329.448 0.814 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3nnc4ccccc4n3)CC2)C1 ZINC000941489227 610339744 /nfs/dbraw/zinc/33/97/44/610339744.db2.gz BGUMBOBIVDPMHZ-UHFFFAOYSA-N 1 1 338.415 0.653 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000940752891 610356957 /nfs/dbraw/zinc/35/69/57/610356957.db2.gz GWEZBQHTEYDZKZ-GFCCVEGCSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)CC2)C1 ZINC000941537951 610357353 /nfs/dbraw/zinc/35/73/53/610357353.db2.gz RKBDNNAVSYQXAV-OAHLLOKOSA-N 1 1 342.447 0.076 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940786347 610361526 /nfs/dbraw/zinc/36/15/26/610361526.db2.gz VGZUDLWUUGSOHK-CVEARBPZSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CC2)C1 ZINC000941537369 610367274 /nfs/dbraw/zinc/36/72/74/610367274.db2.gz JCYMFLFKOBTZGS-INIZCTEOSA-N 1 1 341.459 0.216 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3ccnc(OC)c3)CC2)C1 ZINC000941567310 610376748 /nfs/dbraw/zinc/37/67/48/610376748.db2.gz QRJZMYBJTOYOHY-UHFFFAOYSA-N 1 1 330.432 0.647 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(C(F)F)n[nH]3)CC2)C1 ZINC000941563279 610384128 /nfs/dbraw/zinc/38/41/28/610384128.db2.gz DRZSSXYDIVFLAS-UHFFFAOYSA-N 1 1 325.363 0.975 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3cccnc3C)CC2)C1 ZINC000941565388 610385595 /nfs/dbraw/zinc/38/55/95/610385595.db2.gz YONSNZWEHBMQCS-UHFFFAOYSA-N 1 1 326.444 0.784 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940846654 610398178 /nfs/dbraw/zinc/39/81/78/610398178.db2.gz FBTXTJVPTCGEIX-STQMWFEESA-N 1 1 333.436 0.949 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940847437 610398412 /nfs/dbraw/zinc/39/84/12/610398412.db2.gz XIPHWXUKGONZHZ-KBPBESRZSA-N 1 1 345.447 0.786 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000940867608 610403529 /nfs/dbraw/zinc/40/35/29/610403529.db2.gz GAHQSXYRDDQGFO-CYBMUJFWSA-N 1 1 334.420 0.742 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3nnnn3c2)C(C)(C)C1 ZINC000940888379 610417014 /nfs/dbraw/zinc/41/70/14/610417014.db2.gz LMZZYFNVSMDITE-CQSZACIVSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3nnn(C(C)C)c3C)CC2)C1 ZINC000941621027 610425861 /nfs/dbraw/zinc/42/58/61/610425861.db2.gz SXEBQZHNCFZHSL-UHFFFAOYSA-N 1 1 344.463 0.633 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](C)C1 ZINC000942395121 610429759 /nfs/dbraw/zinc/42/97/59/610429759.db2.gz WDIVJJFYURLBAJ-GJZGRUSLSA-N 1 1 346.431 0.353 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C(C)(C)C1 ZINC000940911758 610429866 /nfs/dbraw/zinc/42/98/66/610429866.db2.gz KDSGHGJAXDIBJR-LSDHHAIUSA-N 1 1 329.448 0.999 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3noc4c3COCC4)CC2)C1 ZINC000941671000 610444604 /nfs/dbraw/zinc/44/46/04/610444604.db2.gz CTXCGJVCQGBZET-UHFFFAOYSA-N 1 1 346.431 0.765 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCn3cc(C)cn3)CC2)C1 ZINC000941676641 610449511 /nfs/dbraw/zinc/44/95/11/610449511.db2.gz CGCIIARTGWTZGS-UHFFFAOYSA-N 1 1 331.464 0.986 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(N(C)C)ccn3)CC2)C1 ZINC000941681652 610460700 /nfs/dbraw/zinc/46/07/00/610460700.db2.gz VGRGIAFVRZXTTL-UHFFFAOYSA-N 1 1 341.459 0.613 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn(C)c3C3CC3)CC2)C1 ZINC000941685130 610463272 /nfs/dbraw/zinc/46/32/72/610463272.db2.gz TXAVLWMRXRZUMW-UHFFFAOYSA-N 1 1 341.459 0.763 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000942517822 610491276 /nfs/dbraw/zinc/49/12/76/610491276.db2.gz GVEWADIYHFPIGW-UONOGXRCSA-N 1 1 329.466 0.425 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C(C)(C)C1 ZINC000941067747 610524505 /nfs/dbraw/zinc/52/45/05/610524505.db2.gz HIBKDLLMXYXGAF-CQSZACIVSA-N 1 1 344.419 0.294 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941088239 610530616 /nfs/dbraw/zinc/53/06/16/610530616.db2.gz WOYPJGSUUYZHDM-OCCSQVGLSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941088239 610530618 /nfs/dbraw/zinc/53/06/18/610530618.db2.gz WOYPJGSUUYZHDM-OCCSQVGLSA-N 1 1 348.451 0.558 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000941091884 610532264 /nfs/dbraw/zinc/53/22/64/610532264.db2.gz VNQKLEWBXXKWHC-AWEZNQCLSA-N 1 1 346.435 0.090 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000941091585 610532445 /nfs/dbraw/zinc/53/24/45/610532445.db2.gz XHSDOYXNKJXODH-UONOGXRCSA-N 1 1 341.477 0.260 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC000941882915 610541080 /nfs/dbraw/zinc/54/10/80/610541080.db2.gz GPEUJIWYKMPOHC-MRXNPFEDSA-N 1 1 337.383 0.599 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnon3)C(C)(C)C2)C1=O ZINC000941112602 610556898 /nfs/dbraw/zinc/55/68/98/610556898.db2.gz FFBBXUBNVPUKQZ-KBPBESRZSA-N 1 1 347.419 0.687 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C(C)(C)C1 ZINC000941153284 610565412 /nfs/dbraw/zinc/56/54/12/610565412.db2.gz YZRRBYIXQDIAJK-HIFRSBDPSA-N 1 1 331.420 0.703 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000941163052 610570580 /nfs/dbraw/zinc/57/05/80/610570580.db2.gz FNQGRFGALHFEKG-LBPRGKRZSA-N 1 1 330.392 0.434 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941942400 610571419 /nfs/dbraw/zinc/57/14/19/610571419.db2.gz IODQVQPTEAUYLW-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966862 610581181 /nfs/dbraw/zinc/58/11/81/610581181.db2.gz OJBDCXZKZIOQID-OCCSQVGLSA-N 1 1 344.419 0.352 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)nc1 ZINC000941169693 610583521 /nfs/dbraw/zinc/58/35/21/610583521.db2.gz QBAZBNFMZUVWBU-HZPDHXFCSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)CC2(C)C)nc1 ZINC000941169735 610583698 /nfs/dbraw/zinc/58/36/98/610583698.db2.gz ROMPZLMZCWHJII-SWLSCSKDSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)CC2(C)C)nc1 ZINC000941169735 610583699 /nfs/dbraw/zinc/58/36/99/610583699.db2.gz ROMPZLMZCWHJII-SWLSCSKDSA-N 1 1 328.416 0.767 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000941190833 610585954 /nfs/dbraw/zinc/58/59/54/610585954.db2.gz LBBOGJPTAIXEMY-HOTGVXAUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 ZINC000941188233 610592955 /nfs/dbraw/zinc/59/29/55/610592955.db2.gz GFIRQHLSHIDHNO-OWCLPIDISA-N 1 1 344.415 0.068 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 ZINC000941188233 610592957 /nfs/dbraw/zinc/59/29/57/610592957.db2.gz GFIRQHLSHIDHNO-OWCLPIDISA-N 1 1 344.415 0.068 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000941206799 610596470 /nfs/dbraw/zinc/59/64/70/610596470.db2.gz OAMYXVJWNIIUPG-CYBMUJFWSA-N 1 1 334.420 0.120 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941211448 610598299 /nfs/dbraw/zinc/59/82/99/610598299.db2.gz WQVBEQBNOFSTBM-CYBMUJFWSA-N 1 1 334.420 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(CC)on2)C1 ZINC000941237543 610621158 /nfs/dbraw/zinc/62/11/58/610621158.db2.gz BWNSVQLAQHGEBI-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(CC)on2)C1 ZINC000941237543 610621161 /nfs/dbraw/zinc/62/11/61/610621161.db2.gz BWNSVQLAQHGEBI-CJNGLKHVSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000941237997 610621333 /nfs/dbraw/zinc/62/13/33/610621333.db2.gz OWOXGDTZEJGHHG-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000941237997 610621335 /nfs/dbraw/zinc/62/13/35/610621335.db2.gz OWOXGDTZEJGHHG-ZBFHGGJFSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000941238023 610621941 /nfs/dbraw/zinc/62/19/41/610621941.db2.gz QGRHZUODXNYMOC-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000941238023 610621943 /nfs/dbraw/zinc/62/19/43/610621943.db2.gz QGRHZUODXNYMOC-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H](C)C1 ZINC000942859901 610651559 /nfs/dbraw/zinc/65/15/59/610651559.db2.gz OXLPENAPNAFCPB-KGLIPLIRSA-N 1 1 330.432 0.814 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000941351353 610687292 /nfs/dbraw/zinc/68/72/92/610687292.db2.gz PKLVCPPKZHJHOO-KGLIPLIRSA-N 1 1 329.404 0.981 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000942188806 610691304 /nfs/dbraw/zinc/69/13/04/610691304.db2.gz MTZKEYAELYRTPE-YPMHNXCESA-N 1 1 341.433 0.943 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000942194342 610694565 /nfs/dbraw/zinc/69/45/65/610694565.db2.gz AEPCTJYHHJOSHT-YPMHNXCESA-N 1 1 341.433 0.943 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3ccnn3C)CC2)C1 ZINC000941410386 610719521 /nfs/dbraw/zinc/71/95/21/610719521.db2.gz GHMMEVLJTDYZLW-HNNXBMFYSA-N 1 1 331.464 0.928 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccnc4[nH]cnc43)CC2)C1 ZINC000941424639 610724690 /nfs/dbraw/zinc/72/46/90/610724690.db2.gz UNWKTQKDDQUPHJ-UHFFFAOYSA-N 1 1 326.404 0.586 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](C)C1 ZINC000943513869 610881174 /nfs/dbraw/zinc/88/11/74/610881174.db2.gz AYXJHFOADUXZRB-GJZGRUSLSA-N 1 1 348.451 0.582 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@@H](C)C1 ZINC000943519803 610882632 /nfs/dbraw/zinc/88/26/32/610882632.db2.gz ZAOJGXWFAGKIOD-GXTWGEPZSA-N 1 1 327.388 0.898 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H](C)C1 ZINC000943644956 610926301 /nfs/dbraw/zinc/92/63/01/610926301.db2.gz BMPFPTVXHROCFO-SWLSCSKDSA-N 1 1 341.415 0.795 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H](C)C1 ZINC000943649479 610928422 /nfs/dbraw/zinc/92/84/22/610928422.db2.gz YKKQEKOIGUHLPV-BXUZGUMPSA-N 1 1 327.388 0.404 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H](C)C1 ZINC000943649482 610928482 /nfs/dbraw/zinc/92/84/82/610928482.db2.gz YKKQEKOIGUHLPV-FZMZJTMJSA-N 1 1 327.388 0.404 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000943668126 610935943 /nfs/dbraw/zinc/93/59/43/610935943.db2.gz QGWAKPRMXDONTM-RBSFLKMASA-N 1 1 343.431 0.995 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 ZINC000943672954 610936986 /nfs/dbraw/zinc/93/69/86/610936986.db2.gz ATPNLLLLGKBJEK-MWLCHTKSSA-N 1 1 328.800 0.117 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 ZINC000943672954 610936988 /nfs/dbraw/zinc/93/69/88/610936988.db2.gz ATPNLLLLGKBJEK-MWLCHTKSSA-N 1 1 328.800 0.117 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(=O)NC)n2)[C@H](C)C1 ZINC000944534954 610953680 /nfs/dbraw/zinc/95/36/80/610953680.db2.gz VGJOKCJQHDFBPE-ZIAGYGMSSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(=O)NC)n2)[C@@H](C)C1 ZINC000944534953 610953749 /nfs/dbraw/zinc/95/37/49/610953749.db2.gz VGJOKCJQHDFBPE-UONOGXRCSA-N 1 1 328.416 0.905 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000943910637 611035016 /nfs/dbraw/zinc/03/50/16/611035016.db2.gz KYUQSDAPKSUYMH-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2(CC)CC2)CCO1 ZINC000944644154 611049465 /nfs/dbraw/zinc/04/94/65/611049465.db2.gz AAIXBRWQRXWCOB-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2(CC)CC2)CCO1 ZINC000944644154 611049466 /nfs/dbraw/zinc/04/94/66/611049466.db2.gz AAIXBRWQRXWCOB-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 ZINC000944652263 611060077 /nfs/dbraw/zinc/06/00/77/611060077.db2.gz HSAUNWIIVCVANU-OLZOCXBDSA-N 1 1 336.436 0.720 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C)C1 ZINC000943988539 611071221 /nfs/dbraw/zinc/07/12/21/611071221.db2.gz QPXRNLHDCOVLDY-STQMWFEESA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](O)C(C)C ZINC000943996828 611073476 /nfs/dbraw/zinc/07/34/76/611073476.db2.gz DHAPGUKSMFGADD-OWCLPIDISA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](O)C(C)C ZINC000943996828 611073477 /nfs/dbraw/zinc/07/34/77/611073477.db2.gz DHAPGUKSMFGADD-OWCLPIDISA-N 1 1 335.448 0.208 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC000944028220 611089251 /nfs/dbraw/zinc/08/92/51/611089251.db2.gz DZTUDWOPZBKKSX-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccn(C)n1 ZINC000944028244 611089370 /nfs/dbraw/zinc/08/93/70/611089370.db2.gz FNQIOOXYZBBEPP-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccn(C)n1 ZINC000944028244 611089371 /nfs/dbraw/zinc/08/93/71/611089371.db2.gz FNQIOOXYZBBEPP-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000944029474 611090760 /nfs/dbraw/zinc/09/07/60/611090760.db2.gz XEDCIQCXJKIFTM-CQSZACIVSA-N 1 1 340.387 0.812 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H](C)C1 ZINC000944032862 611097618 /nfs/dbraw/zinc/09/76/18/611097618.db2.gz IEKQGXDALBEDMK-HUUCEWRRSA-N 1 1 347.463 0.784 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnccc3=O)CC[C@@H]2C1 ZINC000946840028 611188370 /nfs/dbraw/zinc/18/83/70/611188370.db2.gz YPHNWRPGUVDGQC-CALCHBBNSA-N 1 1 342.443 0.827 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)CC[C@@H]2C1 ZINC000946881360 611221345 /nfs/dbraw/zinc/22/13/45/611221345.db2.gz YXLRZDRHLTZAGE-IYBDPMFKSA-N 1 1 345.447 0.084 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000946092341 611227669 /nfs/dbraw/zinc/22/76/69/611227669.db2.gz HRZJUHNCQXEUMQ-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(CC3(CC)COC3)nn2)C1 ZINC000923555474 611260025 /nfs/dbraw/zinc/26/00/25/611260025.db2.gz RFQZKRCAWUYSRO-CQSZACIVSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC3(CC)COC3)nn2)C1 ZINC000923555474 611260027 /nfs/dbraw/zinc/26/00/27/611260027.db2.gz RFQZKRCAWUYSRO-CQSZACIVSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)C1 ZINC000923549611 611260335 /nfs/dbraw/zinc/26/03/35/611260335.db2.gz NMEKKWLTSLQHOS-CFNZNRNTSA-N 1 1 336.413 0.910 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C2=C(C)N(C)c3nnnn3[C@H]2C)C1 ZINC000923558365 611260985 /nfs/dbraw/zinc/26/09/85/611260985.db2.gz YYMOIYCQDJKOPM-STQMWFEESA-N 1 1 329.408 0.172 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C2=C(C)N(C)c3nnnn3[C@H]2C)C1 ZINC000923558365 611260987 /nfs/dbraw/zinc/26/09/87/611260987.db2.gz YYMOIYCQDJKOPM-STQMWFEESA-N 1 1 329.408 0.172 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)C1 ZINC000923560363 611261699 /nfs/dbraw/zinc/26/16/99/611261699.db2.gz UNUHVGGTHBIXDC-DZGCQCFKSA-N 1 1 341.477 0.307 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)C1 ZINC000923560363 611261701 /nfs/dbraw/zinc/26/17/01/611261701.db2.gz UNUHVGGTHBIXDC-DZGCQCFKSA-N 1 1 341.477 0.307 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](NC(N)=O)c2ccccc2)C1 ZINC000923588768 611270535 /nfs/dbraw/zinc/27/05/35/611270535.db2.gz JNOCLGWJFLCBRG-HZPDHXFCSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](NC(N)=O)c2ccccc2)C1 ZINC000923588768 611270537 /nfs/dbraw/zinc/27/05/37/611270537.db2.gz JNOCLGWJFLCBRG-HZPDHXFCSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000923590586 611270964 /nfs/dbraw/zinc/27/09/64/611270964.db2.gz XIVULCPUWMOKQP-QJPTWQEYSA-N 1 1 331.338 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000923590586 611270965 /nfs/dbraw/zinc/27/09/65/611270965.db2.gz XIVULCPUWMOKQP-QJPTWQEYSA-N 1 1 331.338 0.657 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C ZINC000947924441 611280610 /nfs/dbraw/zinc/28/06/10/611280610.db2.gz DEKDUQMTYQSGCE-GHMZBOCLSA-N 1 1 334.376 0.502 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C ZINC000947925658 611284414 /nfs/dbraw/zinc/28/44/14/611284414.db2.gz RIMFBSRCRYCWLM-RYUDHWBXSA-N 1 1 342.827 0.602 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C ZINC000947925658 611284416 /nfs/dbraw/zinc/28/44/16/611284416.db2.gz RIMFBSRCRYCWLM-RYUDHWBXSA-N 1 1 342.827 0.602 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000946496298 611285083 /nfs/dbraw/zinc/28/50/83/611285083.db2.gz MGLYBCUJMGVMLC-IUODEOHRSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000834698975 611297535 /nfs/dbraw/zinc/29/75/35/611297535.db2.gz SWFJPIFQICATSJ-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C1 ZINC000946542281 611313712 /nfs/dbraw/zinc/31/37/12/611313712.db2.gz KHNJHCOUCSRPIQ-OKILXGFUSA-N 1 1 329.404 0.416 20 30 ECEDMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1 ZINC000946558359 611319158 /nfs/dbraw/zinc/31/91/58/611319158.db2.gz BJJRHKAOWMGJFG-DVOMOZLQSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@@H+](CCNC(=O)c1c(F)cc(C#N)cc1F)CCOCCO ZINC000922118788 611337084 /nfs/dbraw/zinc/33/70/84/611337084.db2.gz GWNFIVBKDMNNRQ-UHFFFAOYSA-N 1 1 327.331 0.507 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1 ZINC000933758840 611747948 /nfs/dbraw/zinc/74/79/48/611747948.db2.gz DNFARPAZMYKGFF-YJBOKZPZSA-N 1 1 326.400 0.762 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)C1=O ZINC000933835191 611751922 /nfs/dbraw/zinc/75/19/22/611751922.db2.gz POOHSXUEUDGIJT-KDOFPFPSSA-N 1 1 336.432 0.944 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000949834718 611775593 /nfs/dbraw/zinc/77/55/93/611775593.db2.gz WQLWVPFRGCEMAU-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000949834718 611775598 /nfs/dbraw/zinc/77/55/98/611775598.db2.gz WQLWVPFRGCEMAU-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)CC1 ZINC000934217028 611780050 /nfs/dbraw/zinc/78/00/50/611780050.db2.gz YUZPAEUOSASMFG-DNVCBOLYSA-N 1 1 343.427 0.096 20 30 ECEDMO C#C[C@@H]1CCCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000934512577 611805407 /nfs/dbraw/zinc/80/54/07/611805407.db2.gz QXARQXJLQZEBJK-OAHLLOKOSA-N 1 1 343.493 0.650 20 30 ECEDMO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000934512577 611805409 /nfs/dbraw/zinc/80/54/09/611805409.db2.gz QXARQXJLQZEBJK-OAHLLOKOSA-N 1 1 343.493 0.650 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC000950645401 611814527 /nfs/dbraw/zinc/81/45/27/611814527.db2.gz VLJMMSPOMVECLW-UPJWGTAASA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC000950645401 611814529 /nfs/dbraw/zinc/81/45/29/611814529.db2.gz VLJMMSPOMVECLW-UPJWGTAASA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000950645097 611814703 /nfs/dbraw/zinc/81/47/03/611814703.db2.gz HKCJKDMBZWDRKT-WQVCFCJDSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000950645097 611814705 /nfs/dbraw/zinc/81/47/05/611814705.db2.gz HKCJKDMBZWDRKT-WQVCFCJDSA-N 1 1 343.431 0.392 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC000949095623 611852087 /nfs/dbraw/zinc/85/20/87/611852087.db2.gz SUTGXIZLKWRWFM-IAGOWNOFSA-N 1 1 349.475 0.729 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CC[C@H](C)C2)nn1 ZINC000950057081 611855401 /nfs/dbraw/zinc/85/54/01/611855401.db2.gz QLLDSEWJAZJQTA-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCOC3(CC[NH+](CC(N)=O)CC3)C2)cc1 ZINC000949156497 611880239 /nfs/dbraw/zinc/88/02/39/611880239.db2.gz NYHQFGMXNUXGDG-UHFFFAOYSA-N 1 1 341.411 0.460 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 ZINC000949174174 611888749 /nfs/dbraw/zinc/88/87/49/611888749.db2.gz JHQBIKGLNKRELU-GFCCVEGCSA-N 1 1 342.827 0.114 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccnc(F)c1 ZINC000950754963 611890301 /nfs/dbraw/zinc/89/03/01/611890301.db2.gz AHGOQDSGMJZVMM-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccnc(F)c1 ZINC000950754963 611890302 /nfs/dbraw/zinc/89/03/02/611890302.db2.gz AHGOQDSGMJZVMM-CABCVRRESA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1cnc(C)o1 ZINC000950755173 611890615 /nfs/dbraw/zinc/89/06/15/611890615.db2.gz FSRWLSNCVUUZNO-HOCLYGCPSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1cnc(C)o1 ZINC000950755173 611890617 /nfs/dbraw/zinc/89/06/17/611890617.db2.gz FSRWLSNCVUUZNO-HOCLYGCPSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1csc(C)n1 ZINC000950755243 611890870 /nfs/dbraw/zinc/89/08/70/611890870.db2.gz HWBVNIZNNXQCLQ-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1csc(C)n1 ZINC000950755243 611890871 /nfs/dbraw/zinc/89/08/71/611890871.db2.gz HWBVNIZNNXQCLQ-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1cncs1 ZINC000950755211 611890881 /nfs/dbraw/zinc/89/08/81/611890881.db2.gz GRVAVMCWQGCOBJ-HIFRSBDPSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1cncs1 ZINC000950755211 611890882 /nfs/dbraw/zinc/89/08/82/611890882.db2.gz GRVAVMCWQGCOBJ-HIFRSBDPSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnoc1CC ZINC000950755994 611891949 /nfs/dbraw/zinc/89/19/49/611891949.db2.gz ZJBURICMDSVRKG-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnoc1CC ZINC000950755994 611891951 /nfs/dbraw/zinc/89/19/51/611891951.db2.gz ZJBURICMDSVRKG-ZFWWWQNUSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC1=CCOCC1 ZINC000950755944 611892031 /nfs/dbraw/zinc/89/20/31/611892031.db2.gz YJGYEZABTRSNJS-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC1=CCOCC1 ZINC000950755944 611892033 /nfs/dbraw/zinc/89/20/33/611892033.db2.gz YJGYEZABTRSNJS-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cncc(C)c1 ZINC000949233079 611912061 /nfs/dbraw/zinc/91/20/61/611912061.db2.gz JRBBXFOJCDDXPG-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cncc(C)c1 ZINC000949233079 611912062 /nfs/dbraw/zinc/91/20/62/611912062.db2.gz JRBBXFOJCDDXPG-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000950231941 611917025 /nfs/dbraw/zinc/91/70/25/611917025.db2.gz SOXPRNHVCAPUJS-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000950272179 611943586 /nfs/dbraw/zinc/94/35/86/611943586.db2.gz YVKIXJMNMQOBIH-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000950272179 611943589 /nfs/dbraw/zinc/94/35/89/611943589.db2.gz YVKIXJMNMQOBIH-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3COCCN3C)CC2)C1 ZINC000949343882 611946244 /nfs/dbraw/zinc/94/62/44/611946244.db2.gz VRAFUOOKLSJKPP-MRXNPFEDSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C ZINC000949425295 611974694 /nfs/dbraw/zinc/97/46/94/611974694.db2.gz SOCVTSFOMIMUFF-YUELXQCFSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C ZINC000949425295 611974696 /nfs/dbraw/zinc/97/46/96/611974696.db2.gz SOCVTSFOMIMUFF-YUELXQCFSA-N 1 1 343.431 0.392 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](OC)[C@@H]3CCOC3)CC2)C1 ZINC000949427659 611976032 /nfs/dbraw/zinc/97/60/32/611976032.db2.gz TXRHDZGTIAZWRZ-CVEARBPZSA-N 1 1 338.448 0.917 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](OC)[C@@H]3CCOC3)CC2)C1 ZINC000949427659 611976034 /nfs/dbraw/zinc/97/60/34/611976034.db2.gz TXRHDZGTIAZWRZ-CVEARBPZSA-N 1 1 338.448 0.917 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000949427735 611976116 /nfs/dbraw/zinc/97/61/16/611976116.db2.gz XIDJFRDNINGPDT-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000949427735 611976117 /nfs/dbraw/zinc/97/61/17/611976117.db2.gz XIDJFRDNINGPDT-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468324 611990452 /nfs/dbraw/zinc/99/04/52/611990452.db2.gz DWSBQMHKXWMYAW-MRXNPFEDSA-N 1 1 347.459 0.762 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949485381 611999845 /nfs/dbraw/zinc/99/98/45/611999845.db2.gz DZGWQJXYNTUMLC-GJZGRUSLSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000949485941 611999987 /nfs/dbraw/zinc/99/99/87/611999987.db2.gz QGBLPXVGNOUVGA-XEZPLFJOSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)C1 ZINC000949493565 612005153 /nfs/dbraw/zinc/00/51/53/612005153.db2.gz WBAUQEFRMYDLII-UHFFFAOYSA-N 1 1 349.431 0.309 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC000949499148 612008980 /nfs/dbraw/zinc/00/89/80/612008980.db2.gz MHTJBOLWWMJZRA-UHFFFAOYSA-N 1 1 346.431 0.997 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nnc(C)[nH]2)C1 ZINC000950533164 612057755 /nfs/dbraw/zinc/05/77/55/612057755.db2.gz BNIQOIYGFNJVCC-HNNXBMFYSA-N 1 1 330.436 0.243 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nnc(C)[nH]2)C1 ZINC000950533164 612057756 /nfs/dbraw/zinc/05/77/56/612057756.db2.gz BNIQOIYGFNJVCC-HNNXBMFYSA-N 1 1 330.436 0.243 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2snnc2C)C1 ZINC000950533468 612057773 /nfs/dbraw/zinc/05/77/73/612057773.db2.gz HEQIYCIPSDKDEV-HNNXBMFYSA-N 1 1 347.488 0.977 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2snnc2C)C1 ZINC000950533468 612057774 /nfs/dbraw/zinc/05/77/74/612057774.db2.gz HEQIYCIPSDKDEV-HNNXBMFYSA-N 1 1 347.488 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C(C)(F)F)C1 ZINC000949708346 612065786 /nfs/dbraw/zinc/06/57/86/612065786.db2.gz UNTCMIYGQONSAR-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C(C)(F)F)C1 ZINC000949708346 612065787 /nfs/dbraw/zinc/06/57/87/612065787.db2.gz UNTCMIYGQONSAR-STQMWFEESA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ocnc2C)C1 ZINC000951223521 612088279 /nfs/dbraw/zinc/08/82/79/612088279.db2.gz JMTVANUVQKMNBM-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ocnc2C)C1 ZINC000951223521 612088280 /nfs/dbraw/zinc/08/82/80/612088280.db2.gz JMTVANUVQKMNBM-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccns2)C1 ZINC000951223723 612088318 /nfs/dbraw/zinc/08/83/18/612088318.db2.gz OIJPXRBNFNQTJG-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccns2)C1 ZINC000951223723 612088322 /nfs/dbraw/zinc/08/83/22/612088322.db2.gz OIJPXRBNFNQTJG-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccn(C)c1C ZINC000951989067 612168305 /nfs/dbraw/zinc/16/83/05/612168305.db2.gz JORYZWKHVHOHDJ-RDJZCZTQSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccn(C)c1C ZINC000951989067 612168307 /nfs/dbraw/zinc/16/83/07/612168307.db2.gz JORYZWKHVHOHDJ-RDJZCZTQSA-N 1 1 342.443 0.762 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000953173059 612192523 /nfs/dbraw/zinc/19/25/23/612192523.db2.gz RYABFRKRGLITDK-GUYCJALGSA-N 1 1 329.404 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCCC[N@@H+]2C)nc1 ZINC000951377010 612193410 /nfs/dbraw/zinc/19/34/10/612193410.db2.gz NQDIPLPARQKOPY-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C[C@@H]2CC[N@H+](C)C2)nc1 ZINC000951377941 612194275 /nfs/dbraw/zinc/19/42/75/612194275.db2.gz KNBODWDGVLVRKY-HOTGVXAUSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC000951386209 612199003 /nfs/dbraw/zinc/19/90/03/612199003.db2.gz XFLSKRVSOXRQPS-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000951410789 612211438 /nfs/dbraw/zinc/21/14/38/612211438.db2.gz MQEXQOLGZFJRAC-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000951439810 612234426 /nfs/dbraw/zinc/23/44/26/612234426.db2.gz QMPLLTHEEPFLKO-DLBZAZTESA-N 1 1 325.412 0.950 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000953846764 612347979 /nfs/dbraw/zinc/34/79/79/612347979.db2.gz DUGMWVUWOMEBIC-CQSZACIVSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)c2cocn2)CC1 ZINC000952343633 612375987 /nfs/dbraw/zinc/37/59/87/612375987.db2.gz ZGZLLDAPTSFVOD-INIZCTEOSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)c2cocn2)CC1 ZINC000952343633 612375993 /nfs/dbraw/zinc/37/59/93/612375993.db2.gz ZGZLLDAPTSFVOD-INIZCTEOSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000951637395 612421118 /nfs/dbraw/zinc/42/11/18/612421118.db2.gz UPBIFGPLVUXGNY-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000955341636 612466087 /nfs/dbraw/zinc/46/60/87/612466087.db2.gz QUJUQMYCRYRFRS-WBVHZDCISA-N 1 1 346.475 0.095 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000954630309 612467068 /nfs/dbraw/zinc/46/70/68/612467068.db2.gz ANYQVORMGCXKND-QFBILLFUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000954630309 612467071 /nfs/dbraw/zinc/46/70/71/612467071.db2.gz ANYQVORMGCXKND-QFBILLFUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccncc2C)C1 ZINC000954631281 612469718 /nfs/dbraw/zinc/46/97/18/612469718.db2.gz URNMLLXFHHSXNP-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccncc2C)C1 ZINC000954631281 612469720 /nfs/dbraw/zinc/46/97/20/612469720.db2.gz URNMLLXFHHSXNP-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000955344321 612471828 /nfs/dbraw/zinc/47/18/28/612471828.db2.gz MKSZUWVRRYSXER-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000956777411 612519922 /nfs/dbraw/zinc/51/99/22/612519922.db2.gz XRUZXMBTLHSSTD-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953999484 612537827 /nfs/dbraw/zinc/53/78/27/612537827.db2.gz QKFWEIUUFLCHEM-UHFFFAOYSA-N 1 1 326.360 0.374 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956833553 612603786 /nfs/dbraw/zinc/60/37/86/612603786.db2.gz XBIRJCCOCSEHQH-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956019099 612615885 /nfs/dbraw/zinc/61/58/85/612615885.db2.gz ZYXNVRDHNYRKGH-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC000956073045 612676604 /nfs/dbraw/zinc/67/66/04/612676604.db2.gz LIHGVZGIKBFTQW-HOCLYGCPSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC000956073045 612676605 /nfs/dbraw/zinc/67/66/05/612676605.db2.gz LIHGVZGIKBFTQW-HOCLYGCPSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccncc1 ZINC000956073146 612677449 /nfs/dbraw/zinc/67/74/49/612677449.db2.gz BQAYVQAAXAMUJO-IRXDYDNUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ccncc1 ZINC000956073146 612677453 /nfs/dbraw/zinc/67/74/53/612677453.db2.gz BQAYVQAAXAMUJO-IRXDYDNUSA-N 1 1 340.427 0.900 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000956934098 612716065 /nfs/dbraw/zinc/71/60/65/612716065.db2.gz BYJFPHQIXSQFOP-BEFAXECRSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000956207322 612778366 /nfs/dbraw/zinc/77/83/66/612778366.db2.gz KDUJCAOCPJYWCN-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000956207322 612778369 /nfs/dbraw/zinc/77/83/69/612778369.db2.gz KDUJCAOCPJYWCN-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000954943065 612805123 /nfs/dbraw/zinc/80/51/23/612805123.db2.gz JSFCRUOXRIUJSN-MRXNPFEDSA-N 1 1 325.412 0.902 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC000954308562 612840920 /nfs/dbraw/zinc/84/09/20/612840920.db2.gz WAESIIUEZDHSNK-CYBMUJFWSA-N 1 1 346.435 0.231 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954392653 612888693 /nfs/dbraw/zinc/88/86/93/612888693.db2.gz VMAOICHGYDEERS-ZVZYQTTQSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)C2=COCCO2)C1 ZINC000956668073 612930051 /nfs/dbraw/zinc/93/00/51/612930051.db2.gz MIPIIPXKZNOXOX-KSSFIOAISA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)C2=COCCO2)C1 ZINC000956668073 612930052 /nfs/dbraw/zinc/93/00/52/612930052.db2.gz MIPIIPXKZNOXOX-KSSFIOAISA-N 1 1 347.415 0.079 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ncoc2C)C1 ZINC000956746939 612942612 /nfs/dbraw/zinc/94/26/12/612942612.db2.gz OTIWZWLGLWLQKE-KBXCAEBGSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ncoc2C)C1 ZINC000956746939 612942613 /nfs/dbraw/zinc/94/26/13/612942613.db2.gz OTIWZWLGLWLQKE-KBXCAEBGSA-N 1 1 344.415 0.801 20 30 ECEDMO CCc1nc(C#N)c(C#N)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164934126 721887595 /nfs/dbraw/zinc/88/75/95/721887595.db2.gz PPFAUVUZKVAKDZ-DLBZAZTESA-N 1 1 339.447 0.997 20 30 ECEDMO CCc1nc(C#N)c(C#N)nc1N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164934126 721887596 /nfs/dbraw/zinc/88/75/96/721887596.db2.gz PPFAUVUZKVAKDZ-DLBZAZTESA-N 1 1 339.447 0.997 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001098560858 735429829 /nfs/dbraw/zinc/42/98/29/735429829.db2.gz FHIIRXNQMUYBFA-UHFFFAOYSA-N 1 1 344.411 0.990 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)[C@H](C)CNc1cc(CC)[nH+]c(C)n1 ZINC001104531805 738442981 /nfs/dbraw/zinc/44/29/81/738442981.db2.gz YBXLUGQWEWJMQX-GFCCVEGCSA-N 1 1 331.420 0.746 20 30 ECEDMO Cc1nc(NC[C@@H](C)N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001104538185 738447194 /nfs/dbraw/zinc/44/71/94/738447194.db2.gz LRRQHXAEIMTBOI-DOMZBBRYSA-N 1 1 331.420 0.851 20 30 ECEDMO Cc1nc(NC[C@@H](C)N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001104538185 738447196 /nfs/dbraw/zinc/44/71/96/738447196.db2.gz LRRQHXAEIMTBOI-DOMZBBRYSA-N 1 1 331.420 0.851 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)c1 ZINC001087346700 738510866 /nfs/dbraw/zinc/51/08/66/738510866.db2.gz QPVPDESHUXXXKI-JLNYLFASSA-N 1 1 327.388 0.154 20 30 ECEDMO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC000969115945 731478903 /nfs/dbraw/zinc/47/89/03/731478903.db2.gz YTABCVZLHZWMGZ-NSHDSACASA-N 1 1 334.376 0.504 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](n2ccnn2)C1 ZINC001069975015 790268134 /nfs/dbraw/zinc/26/81/34/790268134.db2.gz ZYIMSJUXDFVEKG-NEPJUHHUSA-N 1 1 344.375 0.201 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCNc1ccnc(C#N)n1 ZINC001114947133 731555382 /nfs/dbraw/zinc/55/53/82/731555382.db2.gz ZORBCLWBRDSHNW-GFCCVEGCSA-N 1 1 327.392 0.672 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@H](CC)C(N)=O)C3)C2)nc1 ZINC001041793069 782220523 /nfs/dbraw/zinc/22/05/23/782220523.db2.gz CSTVKEKHADSZML-APWZRJJASA-N 1 1 340.427 0.865 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)cn1 ZINC001041794895 782223576 /nfs/dbraw/zinc/22/35/76/782223576.db2.gz XQGYNBVVBSZQMM-VQIMIIECSA-N 1 1 338.411 0.489 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ncoc3C)C2)C1=O ZINC000969370411 731775059 /nfs/dbraw/zinc/77/50/59/731775059.db2.gz MLXVZHMIRIMCLT-SMDDNHRTSA-N 1 1 332.404 0.820 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnco1 ZINC000969459307 731908165 /nfs/dbraw/zinc/90/81/65/731908165.db2.gz HCWPULOHFDSYLW-ZNMIVQPWSA-N 1 1 342.399 0.588 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnco1 ZINC000969459307 731908168 /nfs/dbraw/zinc/90/81/68/731908168.db2.gz HCWPULOHFDSYLW-ZNMIVQPWSA-N 1 1 342.399 0.588 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969514932 731935634 /nfs/dbraw/zinc/93/56/34/731935634.db2.gz WSSDCUKZIQEUDO-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3coc(C)n3)C2)C1=O ZINC000969548833 731957272 /nfs/dbraw/zinc/95/72/72/731957272.db2.gz OSQRGSMEXGRDAQ-XHDPSFHLSA-N 1 1 332.404 0.820 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H](C)C2C[NH+](CC#Cc3ccccc3)C2)C1 ZINC000969569459 731975994 /nfs/dbraw/zinc/97/59/94/731975994.db2.gz PGXWHOHDSGGCQZ-HNNXBMFYSA-N 1 1 339.439 0.953 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cnn(CC)n3)C2)C1=O ZINC000969624845 732007178 /nfs/dbraw/zinc/00/71/78/732007178.db2.gz NQTROLGMFHZFSY-WFASDCNBSA-N 1 1 346.435 0.135 20 30 ECEDMO N#Cc1cncc(N2CC[NH+]([C@@H]3CCN(C(=O)CCCF)C3)CC2)n1 ZINC001111964963 738563949 /nfs/dbraw/zinc/56/39/49/738563949.db2.gz OHJNFSWTPXSVFQ-OAHLLOKOSA-N 1 1 346.410 0.821 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041810666 782249624 /nfs/dbraw/zinc/24/96/24/782249624.db2.gz HQOYZYGYOXHSKY-SJLPKXTDSA-N 1 1 335.448 0.734 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973053361 738589422 /nfs/dbraw/zinc/58/94/22/738589422.db2.gz YLJWPUAQVVXHIW-CQSZACIVSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973053361 738589424 /nfs/dbraw/zinc/58/94/24/738589424.db2.gz YLJWPUAQVVXHIW-CQSZACIVSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)CC1 ZINC001098525892 732438654 /nfs/dbraw/zinc/43/86/54/732438654.db2.gz ACVMWKCCGXMEMX-IBGZPJMESA-N 1 1 349.475 0.554 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nncs2)C1 ZINC000969864338 732461184 /nfs/dbraw/zinc/46/11/84/732461184.db2.gz ARJJKTJBNKLKGB-OCCSQVGLSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nncs2)C1 ZINC000969864338 732461186 /nfs/dbraw/zinc/46/11/86/732461186.db2.gz ARJJKTJBNKLKGB-OCCSQVGLSA-N 1 1 333.461 0.572 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 ZINC000969896311 732497020 /nfs/dbraw/zinc/49/70/20/732497020.db2.gz NKIPMFOEXSYRDW-BBWFWOEESA-N 1 1 347.459 0.210 20 30 ECEDMO CC#CC[NH+]1CC([C@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000969991696 732598822 /nfs/dbraw/zinc/59/88/22/732598822.db2.gz GPMHRDCQPGKKHK-JTQLQIEISA-N 1 1 325.390 0.000 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001041820424 782269551 /nfs/dbraw/zinc/26/95/51/782269551.db2.gz PLQVFGZBCNUNSV-HNNXBMFYSA-N 1 1 340.811 0.215 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001041820424 782269558 /nfs/dbraw/zinc/26/95/58/782269558.db2.gz PLQVFGZBCNUNSV-HNNXBMFYSA-N 1 1 340.811 0.215 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041823722 782276017 /nfs/dbraw/zinc/27/60/17/782276017.db2.gz OKVYQMXUXCEJBW-KSSFIOAISA-N 1 1 348.447 0.865 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001041821214 782271080 /nfs/dbraw/zinc/27/10/80/782271080.db2.gz CWUPQTKCMSOCRH-CXAGYDPISA-N 1 1 334.420 0.475 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nnc4c3CCCC4)[C@H]2C1 ZINC001083195968 732896136 /nfs/dbraw/zinc/89/61/36/732896136.db2.gz ZFZZCQBPUMMLKI-DLBZAZTESA-N 1 1 343.431 0.092 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3nnc4c3CCCC4)[C@H]2C1 ZINC001083195968 732896140 /nfs/dbraw/zinc/89/61/40/732896140.db2.gz ZFZZCQBPUMMLKI-DLBZAZTESA-N 1 1 343.431 0.092 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1 ZINC001098529201 732917865 /nfs/dbraw/zinc/91/78/65/732917865.db2.gz XWNWJFIVKZXPRN-UHFFFAOYSA-N 1 1 335.448 0.163 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)C1 ZINC001041834995 782306815 /nfs/dbraw/zinc/30/68/15/782306815.db2.gz PBHAQBPICUBVEY-PKOBYXMFSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)CN3CCOCC3)C2)C1 ZINC001041834995 782306825 /nfs/dbraw/zinc/30/68/25/782306825.db2.gz PBHAQBPICUBVEY-PKOBYXMFSA-N 1 1 333.476 0.902 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104244467 733051363 /nfs/dbraw/zinc/05/13/63/733051363.db2.gz FLRBEKQGGFKDAM-KBPBESRZSA-N 1 1 330.436 0.809 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104244469 733051499 /nfs/dbraw/zinc/05/14/99/733051499.db2.gz FLRBEKQGGFKDAM-UONOGXRCSA-N 1 1 330.436 0.809 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083198277 733092380 /nfs/dbraw/zinc/09/23/80/733092380.db2.gz LKYUVLGPPRTZHW-LTIDMASMSA-N 1 1 346.431 0.386 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083198277 733092381 /nfs/dbraw/zinc/09/23/81/733092381.db2.gz LKYUVLGPPRTZHW-LTIDMASMSA-N 1 1 346.431 0.386 20 30 ECEDMO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000969049023 733110033 /nfs/dbraw/zinc/11/00/33/733110033.db2.gz DDBJWYLCIBVUBB-AWEZNQCLSA-N 1 1 348.447 0.635 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CNc2cncc(C#N)n2)C(C)(C)C)C1 ZINC001125828863 738684347 /nfs/dbraw/zinc/68/43/47/738684347.db2.gz XWONIFPVIDTTNC-KBPBESRZSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CNc2cncc(C#N)n2)C(C)(C)C)C1 ZINC001125828863 738684349 /nfs/dbraw/zinc/68/43/49/738684349.db2.gz XWONIFPVIDTTNC-KBPBESRZSA-N 1 1 346.435 0.622 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)c1 ZINC001078118963 782329463 /nfs/dbraw/zinc/32/94/63/782329463.db2.gz RULZTSFPDCLBFZ-HZPDHXFCSA-N 1 1 338.367 0.634 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)c1 ZINC001078118963 782329473 /nfs/dbraw/zinc/32/94/73/782329473.db2.gz RULZTSFPDCLBFZ-HZPDHXFCSA-N 1 1 338.367 0.634 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2ccc(C(=O)NC)nc2)CC1 ZINC001098536554 733342851 /nfs/dbraw/zinc/34/28/51/733342851.db2.gz LQGNNXYMYPPHJN-UHFFFAOYSA-N 1 1 346.431 0.526 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3n[nH]cc3F)C2)C1=O ZINC000970386271 733454995 /nfs/dbraw/zinc/45/49/95/733454995.db2.gz ZJYUEBHYEDQUEV-ZWNOBZJWSA-N 1 1 335.383 0.386 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]2O)C1 ZINC000970403496 733475816 /nfs/dbraw/zinc/47/58/16/733475816.db2.gz WBCFXFCYKDXAMC-OAGGEKHMSA-N 1 1 349.475 0.905 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC000970437264 733532327 /nfs/dbraw/zinc/53/23/27/733532327.db2.gz QRGBOKREDIHQPN-IAQYHMDHSA-N 1 1 345.447 0.864 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3cn(CCOC)nn3)CC2)C1 ZINC001039177030 733548976 /nfs/dbraw/zinc/54/89/76/733548976.db2.gz PAFVKGUIAIYZEC-MRXNPFEDSA-N 1 1 345.447 0.732 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)cn1 ZINC000970520522 733640428 /nfs/dbraw/zinc/64/04/28/733640428.db2.gz ZXVCPJTXEGZVGL-BXUZGUMPSA-N 1 1 325.376 0.152 20 30 ECEDMO C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000289132272 733658546 /nfs/dbraw/zinc/65/85/46/733658546.db2.gz JLHUURLAUFHOFB-DLBZAZTESA-N 1 1 336.457 0.812 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC000970562867 733677559 /nfs/dbraw/zinc/67/75/59/733677559.db2.gz LSFKDBZDVUFHKN-STQMWFEESA-N 1 1 348.451 0.381 20 30 ECEDMO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC001167318083 733686714 /nfs/dbraw/zinc/68/67/14/733686714.db2.gz CZSSTZOJQDHPOW-OCCSQVGLSA-N 1 1 342.399 0.902 20 30 ECEDMO C[C@@H](NC(=O)c1cnn(C)n1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970574757 733690728 /nfs/dbraw/zinc/69/07/28/733690728.db2.gz LLEIGCGDONXGRQ-SNVBAGLBSA-N 1 1 330.417 0.999 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC000970754010 733910772 /nfs/dbraw/zinc/91/07/72/733910772.db2.gz OIRQDGJTHXYVLD-CHWSQXEVSA-N 1 1 340.427 0.780 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCCNC3=O)C2)nc1 ZINC000970762843 733920095 /nfs/dbraw/zinc/92/00/95/733920095.db2.gz GROOCBIWRKPHPP-MLGOLLRUSA-N 1 1 326.400 0.392 20 30 ECEDMO CC1(C)C2CCC1(C(=O)N[C@@H]1[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]31)CC2 ZINC001114942749 733934313 /nfs/dbraw/zinc/93/43/13/733934313.db2.gz OMUOODMABXYOEP-VZCCFHQXSA-N 1 1 344.459 0.889 20 30 ECEDMO CC1(C)C2CCC1(C(=O)N[C@@H]1[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]31)CC2 ZINC001114942749 733934315 /nfs/dbraw/zinc/93/43/15/733934315.db2.gz OMUOODMABXYOEP-VZCCFHQXSA-N 1 1 344.459 0.889 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(C)n3)C2)CC1 ZINC000970924442 734091205 /nfs/dbraw/zinc/09/12/05/734091205.db2.gz LDUXLMUFHMLZGK-ZDUSSCGKSA-N 1 1 344.463 0.395 20 30 ECEDMO C=CCn1cc(C(=O)NCCC2(C[NH2+]Cc3nnc(C)o3)CC2)nn1 ZINC001167411015 734171564 /nfs/dbraw/zinc/17/15/64/734171564.db2.gz GVQHBCKPLIUEMK-UHFFFAOYSA-N 1 1 345.407 0.845 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCn3cccn3)C2)C1=O ZINC000971101696 734265947 /nfs/dbraw/zinc/26/59/47/734265947.db2.gz MYINBIQPZFRZQE-HOTGVXAUSA-N 1 1 345.447 0.593 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)Nc2ccnc(C#N)n2)C1 ZINC001098210090 734286775 /nfs/dbraw/zinc/28/67/75/734286775.db2.gz VUSIVKJSIACLKI-KGLIPLIRSA-N 1 1 330.436 0.809 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104323271 734302651 /nfs/dbraw/zinc/30/26/51/734302651.db2.gz MMBOICVQUFGJLD-MRXNPFEDSA-N 1 1 331.420 0.616 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2ncc(C#N)cc2F)CCO1 ZINC001104323721 734305237 /nfs/dbraw/zinc/30/52/37/734305237.db2.gz XPDGGZJANJHCRE-CQSZACIVSA-N 1 1 349.410 0.756 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cncnc3C)C2)C1=O ZINC000971138137 734309219 /nfs/dbraw/zinc/30/92/19/734309219.db2.gz QIYKLCNLUHERMS-ZBFHGGJFSA-N 1 1 343.431 0.718 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)CC1 ZINC001098548146 734320285 /nfs/dbraw/zinc/32/02/85/734320285.db2.gz PWTNSYVYXJSSAL-INIZCTEOSA-N 1 1 335.448 0.163 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2ccc(C#N)c(C)n2)CCO1 ZINC001104328895 734347423 /nfs/dbraw/zinc/34/74/23/734347423.db2.gz QHIQCWBTYKDEMF-MRXNPFEDSA-N 1 1 345.447 0.925 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971203066 734356706 /nfs/dbraw/zinc/35/67/06/734356706.db2.gz BZAIZTGHCUPXQX-JKSUJKDBSA-N 1 1 326.400 0.870 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC000971235139 734378367 /nfs/dbraw/zinc/37/83/67/734378367.db2.gz DZJIKNHXMHVMDC-CABCVRRESA-N 1 1 345.447 0.960 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC000971235142 734378863 /nfs/dbraw/zinc/37/88/63/734378863.db2.gz DZJIKNHXMHVMDC-LSDHHAIUSA-N 1 1 345.447 0.960 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(c2ncccc2C#N)CCO1 ZINC001104334510 734398390 /nfs/dbraw/zinc/39/83/90/734398390.db2.gz HHYKPKHYOVUWTL-HNNXBMFYSA-N 1 1 340.387 0.480 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNc2ccc(C#N)cn2)C1 ZINC001111489054 734402057 /nfs/dbraw/zinc/40/20/57/734402057.db2.gz GTUCYALBFLVESR-CQSZACIVSA-N 1 1 331.420 0.528 20 30 ECEDMO C=C(Br)CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971271175 734413597 /nfs/dbraw/zinc/41/35/97/734413597.db2.gz KWJYWPAHEANOFH-OLZOCXBDSA-N 1 1 346.269 0.758 20 30 ECEDMO C=C(Br)CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971271175 734413598 /nfs/dbraw/zinc/41/35/98/734413598.db2.gz KWJYWPAHEANOFH-OLZOCXBDSA-N 1 1 346.269 0.758 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ocnc3C)C2)C1=O ZINC000971286349 734421969 /nfs/dbraw/zinc/42/19/69/734421969.db2.gz XEOBLZOYIRSESO-KBPBESRZSA-N 1 1 332.404 0.916 20 30 ECEDMO Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000971289842 734422825 /nfs/dbraw/zinc/42/28/25/734422825.db2.gz VGJNELMBYCMMIW-HNNXBMFYSA-N 1 1 341.419 0.941 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H](C)C3)[C@H]2C1 ZINC001083216371 734464484 /nfs/dbraw/zinc/46/44/84/734464484.db2.gz WZXBZKZWIRZZBC-HRCADAONSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H](C)C3)[C@H]2C1 ZINC001083216371 734464486 /nfs/dbraw/zinc/46/44/86/734464486.db2.gz WZXBZKZWIRZZBC-HRCADAONSA-N 1 1 333.432 0.180 20 30 ECEDMO C[N@@H+](C[C@@H]1CCc2ncnn21)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363657 734475561 /nfs/dbraw/zinc/47/55/61/734475561.db2.gz BBTZFAADRSDMKS-KBPBESRZSA-N 1 1 339.403 0.812 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3ccnn3CC)C2)C1=O ZINC000971402913 734526444 /nfs/dbraw/zinc/52/64/44/734526444.db2.gz CVCLMFKPGWALKO-CABCVRRESA-N 1 1 345.447 0.836 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3ccc(C#N)nc3)CCO2)C1 ZINC001104350554 734527981 /nfs/dbraw/zinc/52/79/81/734527981.db2.gz ZKXODRREVWMNBF-YOEHRIQHSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3nnc(C)o3)C2)C1=O ZINC000971496751 734690536 /nfs/dbraw/zinc/69/05/36/734690536.db2.gz JRTYQTDFYNSZQM-KBPBESRZSA-N 1 1 347.419 0.240 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C)nn3)C2)C1=O ZINC000971522146 734709652 /nfs/dbraw/zinc/70/96/52/734709652.db2.gz IQEXNRCSGVMARN-GDBMZVCRSA-N 1 1 343.431 0.718 20 30 ECEDMO C#CCC[NH+]1CCC(NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC000933352406 734724444 /nfs/dbraw/zinc/72/44/44/734724444.db2.gz BFAQAHUOHDHLAI-UHFFFAOYSA-N 1 1 332.448 0.979 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC000971635255 734849970 /nfs/dbraw/zinc/84/99/70/734849970.db2.gz ZEWWOXXLORAFCY-KGLIPLIRSA-N 1 1 343.855 0.767 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC000971635255 734849972 /nfs/dbraw/zinc/84/99/72/734849972.db2.gz ZEWWOXXLORAFCY-KGLIPLIRSA-N 1 1 343.855 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1oncc1C ZINC001078184024 782447772 /nfs/dbraw/zinc/44/77/72/782447772.db2.gz RWAQADDMHAWBCA-KBPBESRZSA-N 1 1 332.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1oncc1C ZINC001078184024 782447776 /nfs/dbraw/zinc/44/77/76/782447776.db2.gz RWAQADDMHAWBCA-KBPBESRZSA-N 1 1 332.404 0.705 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000971703105 734964330 /nfs/dbraw/zinc/96/43/30/734964330.db2.gz WRXAEEPKPYGVRW-FVQBIDKESA-N 1 1 341.415 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nnc(C)s2)C1 ZINC000971703550 734964965 /nfs/dbraw/zinc/96/49/65/734964965.db2.gz HNPHGAGTVBEGGR-CABCVRRESA-N 1 1 347.488 0.977 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nnc(C)s2)C1 ZINC000971703550 734964969 /nfs/dbraw/zinc/96/49/69/734964969.db2.gz HNPHGAGTVBEGGR-CABCVRRESA-N 1 1 347.488 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nonc2C)C1 ZINC000971703727 734965192 /nfs/dbraw/zinc/96/51/92/734965192.db2.gz MNDZMAKXUMUOPA-ZBFHGGJFSA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nonc2C)C1 ZINC000971703727 734965195 /nfs/dbraw/zinc/96/51/95/734965195.db2.gz MNDZMAKXUMUOPA-ZBFHGGJFSA-N 1 1 331.420 0.508 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC000971747242 735021710 /nfs/dbraw/zinc/02/17/10/735021710.db2.gz VDFLRGYBOYMZLZ-CHWSQXEVSA-N 1 1 347.419 0.357 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)C1=O ZINC000971755592 735028770 /nfs/dbraw/zinc/02/87/70/735028770.db2.gz BJTIJSXUSXCIDM-OCCSQVGLSA-N 1 1 345.403 0.115 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000973192121 738882427 /nfs/dbraw/zinc/88/24/27/738882427.db2.gz HVPBJLHQZPPIOH-MRVWCRGKSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)Cc2csc3nccn23)CC1 ZINC001098564318 735684358 /nfs/dbraw/zinc/68/43/58/735684358.db2.gz WYINYZXUKUVMEW-UHFFFAOYSA-N 1 1 346.456 0.857 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001041960072 782496775 /nfs/dbraw/zinc/49/67/75/782496775.db2.gz GTTHGPPQZSYWJI-LSDHHAIUSA-N 1 1 335.448 0.517 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCCNC3=O)C2)c1 ZINC000972283711 735886824 /nfs/dbraw/zinc/88/68/24/735886824.db2.gz CJDIOWOKJCOBJX-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)c1 ZINC000972284450 735888650 /nfs/dbraw/zinc/88/86/50/735888650.db2.gz JRHYJYIAQIUZIE-INIZCTEOSA-N 1 1 326.400 0.442 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)c1 ZINC000972284450 735888653 /nfs/dbraw/zinc/88/86/53/735888653.db2.gz JRHYJYIAQIUZIE-INIZCTEOSA-N 1 1 326.400 0.442 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCCC3)C2)c1 ZINC000972285854 735891321 /nfs/dbraw/zinc/89/13/21/735891321.db2.gz XKXFZZUOAKTUGH-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCCC3)C2)c1 ZINC000972285854 735891325 /nfs/dbraw/zinc/89/13/25/735891325.db2.gz XKXFZZUOAKTUGH-KRWDZBQOSA-N 1 1 340.427 0.832 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@H+](CCCN1CCCC1=O)CCO2 ZINC000972298480 735908189 /nfs/dbraw/zinc/90/81/89/735908189.db2.gz TYDXRMFKVXGFLV-YJBOKZPZSA-N 1 1 348.447 0.462 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCCN1CCCC1=O)CCO2 ZINC000972298480 735908194 /nfs/dbraw/zinc/90/81/94/735908194.db2.gz TYDXRMFKVXGFLV-YJBOKZPZSA-N 1 1 348.447 0.462 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCCN(C)C3=O)[C@H]2C1 ZINC001083246845 735973321 /nfs/dbraw/zinc/97/33/21/735973321.db2.gz MSYIRXPIXJSCTF-OWCLPIDISA-N 1 1 335.448 0.733 20 30 ECEDMO COC[C@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972352576 735993212 /nfs/dbraw/zinc/99/32/12/735993212.db2.gz NQMPVCLZJXWIPC-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000972352576 735993213 /nfs/dbraw/zinc/99/32/13/735993213.db2.gz NQMPVCLZJXWIPC-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001078220951 782512449 /nfs/dbraw/zinc/51/24/49/782512449.db2.gz AFTGSMYVWPMJQT-OWCLPIDISA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001078220951 782512455 /nfs/dbraw/zinc/51/24/55/782512455.db2.gz AFTGSMYVWPMJQT-OWCLPIDISA-N 1 1 335.448 0.208 20 30 ECEDMO C#CCCN1CCO[C@@]2(CCN(C(=O)c3c[nH]cc4ncnc3-4)C2)C1 ZINC000972393650 736110844 /nfs/dbraw/zinc/11/08/44/736110844.db2.gz ZFMVBSAYGKKPAP-SFHVURJKSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncc4nc[nH]c43)C2)C1 ZINC000972393650 736110845 /nfs/dbraw/zinc/11/08/45/736110845.db2.gz ZFMVBSAYGKKPAP-SFHVURJKSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc4nc[nH]c43)C2)C1 ZINC000972393650 736110846 /nfs/dbraw/zinc/11/08/46/736110846.db2.gz ZFMVBSAYGKKPAP-SFHVURJKSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 ZINC000972406153 736139400 /nfs/dbraw/zinc/13/94/00/736139400.db2.gz ZRIFCNIFIXZYHF-GOSISDBHSA-N 1 1 345.447 0.973 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 ZINC000972406153 736139402 /nfs/dbraw/zinc/13/94/02/736139402.db2.gz ZRIFCNIFIXZYHF-GOSISDBHSA-N 1 1 345.447 0.973 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)OCCOCC)CC1 ZINC001098570978 736145777 /nfs/dbraw/zinc/14/57/77/736145777.db2.gz KURXFBOHFRDHFK-OAHLLOKOSA-N 1 1 328.453 0.899 20 30 ECEDMO N#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000972411048 736148123 /nfs/dbraw/zinc/14/81/23/736148123.db2.gz WHNABUZWFVUTNT-PBHICJAKSA-N 1 1 329.404 0.587 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972411253 736148737 /nfs/dbraw/zinc/14/87/37/736148737.db2.gz ZVICGRFGGYFTCV-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cn(C)nc3C)C2)C1 ZINC000972412877 736152751 /nfs/dbraw/zinc/15/27/51/736152751.db2.gz BBHLXFQPZWYYHC-SFHVURJKSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cn(C)nc3C)C2)C1 ZINC000972412877 736152754 /nfs/dbraw/zinc/15/27/54/736152754.db2.gz BBHLXFQPZWYYHC-SFHVURJKSA-N 1 1 330.432 0.598 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 ZINC000972431899 736181703 /nfs/dbraw/zinc/18/17/03/736181703.db2.gz WNGSJCKHCVIAMV-ROUUACIJSA-N 1 1 335.448 0.782 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1CCNCC#N ZINC001104433544 736191484 /nfs/dbraw/zinc/19/14/84/736191484.db2.gz JNAIZQZRCWYEFZ-MYPHYYIGSA-N 1 1 332.448 0.447 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1CCNCC#N ZINC001104433543 736191768 /nfs/dbraw/zinc/19/17/68/736191768.db2.gz JNAIZQZRCWYEFZ-HCBPCCMXSA-N 1 1 332.448 0.447 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972439602 736197282 /nfs/dbraw/zinc/19/72/82/736197282.db2.gz WRKUGCBOXSYORD-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972439602 736197286 /nfs/dbraw/zinc/19/72/86/736197286.db2.gz WRKUGCBOXSYORD-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972440609 736202615 /nfs/dbraw/zinc/20/26/15/736202615.db2.gz HIOBZIZVOAZCKT-AEFFLSMTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972440609 736202618 /nfs/dbraw/zinc/20/26/18/736202618.db2.gz HIOBZIZVOAZCKT-AEFFLSMTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC000972455976 736245405 /nfs/dbraw/zinc/24/54/05/736245405.db2.gz PCMBMGPYKJBDBW-GOSISDBHSA-N 1 1 349.431 0.405 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 ZINC000972461229 736256841 /nfs/dbraw/zinc/25/68/41/736256841.db2.gz PLKRWCCTRIUJRP-QGZVFWFLSA-N 1 1 334.420 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 ZINC000972461229 736256847 /nfs/dbraw/zinc/25/68/47/736256847.db2.gz PLKRWCCTRIUJRP-QGZVFWFLSA-N 1 1 334.420 0.922 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+]([C@H](C)COC)C[C@@H]32)cn1 ZINC001083253357 736261592 /nfs/dbraw/zinc/26/15/92/736261592.db2.gz KGAGZJCYLOTAAL-XOKHGSTOSA-N 1 1 329.400 0.623 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)COC)C[C@H]32)cc1 ZINC001114939653 736267423 /nfs/dbraw/zinc/26/74/23/736267423.db2.gz MEVYSEIBFWDUBP-DZJNRPSUSA-N 1 1 344.411 0.366 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC000972471343 736280866 /nfs/dbraw/zinc/28/08/66/736280866.db2.gz IWVVQMXGTJQLQY-QGZVFWFLSA-N 1 1 332.404 0.273 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC000972471343 736280871 /nfs/dbraw/zinc/28/08/71/736280871.db2.gz IWVVQMXGTJQLQY-QGZVFWFLSA-N 1 1 332.404 0.273 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC000972471837 736283470 /nfs/dbraw/zinc/28/34/70/736283470.db2.gz OLIZXRXQJUCLOW-SFHVURJKSA-N 1 1 346.431 0.663 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C2)cc1 ZINC000972496917 736407257 /nfs/dbraw/zinc/40/72/57/736407257.db2.gz YAZQTOJLCAMMNF-DZGCQCFKSA-N 1 1 329.400 0.719 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H](C)OC2(CC[NH+](Cc3cnnn3C)CC2)C1 ZINC001098574791 736439142 /nfs/dbraw/zinc/43/91/42/736439142.db2.gz UGQOIKVHDANWBE-KGLIPLIRSA-N 1 1 346.435 0.557 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513044 736505103 /nfs/dbraw/zinc/50/51/03/736505103.db2.gz DCCBORFWZQHXDR-ROUUACIJSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513044 736505104 /nfs/dbraw/zinc/50/51/04/736505104.db2.gz DCCBORFWZQHXDR-ROUUACIJSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)nn1 ZINC000972517297 736529046 /nfs/dbraw/zinc/52/90/46/736529046.db2.gz PEHARNGODKPOMS-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnccn3)C2)C1=O ZINC001023209597 736587798 /nfs/dbraw/zinc/58/77/98/736587798.db2.gz PCUZVRBCSCIOTM-HOCLYGCPSA-N 1 1 343.431 0.705 20 30 ECEDMO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C ZINC001104476481 736620773 /nfs/dbraw/zinc/62/07/73/736620773.db2.gz YLOKLZSDEADWCQ-DGCLKSJQSA-N 1 1 334.424 0.103 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001023296116 736655735 /nfs/dbraw/zinc/65/57/35/736655735.db2.gz OZFKAJIVUJOBRW-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001023308450 736666387 /nfs/dbraw/zinc/66/63/87/736666387.db2.gz QIGQYULEOGJMAE-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001023318810 736678643 /nfs/dbraw/zinc/67/86/43/736678643.db2.gz OCPJISPGJJVKKM-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001023318808 736678663 /nfs/dbraw/zinc/67/86/63/736678663.db2.gz OCPJISPGJJVKKM-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001023319079 736679163 /nfs/dbraw/zinc/67/91/63/736679163.db2.gz TVTZQPNBRPWPMP-BXUZGUMPSA-N 1 1 343.387 0.133 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001023405103 736788908 /nfs/dbraw/zinc/78/89/08/736788908.db2.gz ZTSAJQGHNSUQRD-JKSUJKDBSA-N 1 1 335.448 0.333 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(CNCC#N)C2)C1 ZINC001112516664 736827925 /nfs/dbraw/zinc/82/79/25/736827925.db2.gz VUDRRKCLMXBLGI-JZXOWHBKSA-N 1 1 334.464 0.837 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(CNCC#N)C2)C1 ZINC001112516664 736827928 /nfs/dbraw/zinc/82/79/28/736827928.db2.gz VUDRRKCLMXBLGI-JZXOWHBKSA-N 1 1 334.464 0.837 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001023465000 736871206 /nfs/dbraw/zinc/87/12/06/736871206.db2.gz JRBSRLSFWRBONP-GFCCVEGCSA-N 1 1 339.417 0.392 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001023507719 736932400 /nfs/dbraw/zinc/93/24/00/736932400.db2.gz XFWRGAKGQLHBQX-AWEZNQCLSA-N 1 1 341.415 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001023510869 736936424 /nfs/dbraw/zinc/93/64/24/736936424.db2.gz SKBHIJDDAVHWIE-LSDHHAIUSA-N 1 1 330.432 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001023512593 736939576 /nfs/dbraw/zinc/93/95/76/736939576.db2.gz QPVQYFIEJKWROJ-ZDUSSCGKSA-N 1 1 327.388 0.406 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001023521913 736950838 /nfs/dbraw/zinc/95/08/38/736950838.db2.gz ODFBQOIOBFNIFX-CYBMUJFWSA-N 1 1 344.423 0.712 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)CCO3)nn1 ZINC000972586608 736976710 /nfs/dbraw/zinc/97/67/10/736976710.db2.gz ZMKRRWUKWPNREN-KRWDZBQOSA-N 1 1 331.420 0.791 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972593917 737022958 /nfs/dbraw/zinc/02/29/58/737022958.db2.gz OURUIYZQVFHILS-KRWDZBQOSA-N 1 1 346.435 0.123 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972593917 737022962 /nfs/dbraw/zinc/02/29/62/737022962.db2.gz OURUIYZQVFHILS-KRWDZBQOSA-N 1 1 346.435 0.123 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)c1 ZINC001023583224 737039186 /nfs/dbraw/zinc/03/91/86/737039186.db2.gz BJABYCKINSLENL-ZBFHGGJFSA-N 1 1 326.400 0.393 20 30 ECEDMO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC000972597084 737040484 /nfs/dbraw/zinc/04/04/84/737040484.db2.gz RXCUMOXSJWNKJY-QGZVFWFLSA-N 1 1 343.387 0.538 20 30 ECEDMO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)C2)C1 ZINC000972597084 737040488 /nfs/dbraw/zinc/04/04/88/737040488.db2.gz RXCUMOXSJWNKJY-QGZVFWFLSA-N 1 1 343.387 0.538 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001023583725 737040693 /nfs/dbraw/zinc/04/06/93/737040693.db2.gz NVODRQYLZGDDHA-NSHDSACASA-N 1 1 341.437 0.075 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)N3CCOCC3)C2)C1 ZINC000972598578 737048187 /nfs/dbraw/zinc/04/81/87/737048187.db2.gz GZFJWTQQCAGTEM-IBGZPJMESA-N 1 1 349.475 0.424 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)N3CCOCC3)C2)C1 ZINC000972598578 737048188 /nfs/dbraw/zinc/04/81/88/737048188.db2.gz GZFJWTQQCAGTEM-IBGZPJMESA-N 1 1 349.475 0.424 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC000972613824 737101542 /nfs/dbraw/zinc/10/15/42/737101542.db2.gz FPNLHMCDCWGVLC-QGZVFWFLSA-N 1 1 330.388 0.054 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC000972613824 737101544 /nfs/dbraw/zinc/10/15/44/737101544.db2.gz FPNLHMCDCWGVLC-QGZVFWFLSA-N 1 1 330.388 0.054 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC001023638143 737125000 /nfs/dbraw/zinc/12/50/00/737125000.db2.gz YEBHXLDUTIALLQ-ZIAGYGMSSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001023638159 737125136 /nfs/dbraw/zinc/12/51/36/737125136.db2.gz YOFAYPWJUADMIG-TZMCWYRMSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972627904 737148604 /nfs/dbraw/zinc/14/86/04/737148604.db2.gz LJHSOSOPLCWZKG-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972627904 737148607 /nfs/dbraw/zinc/14/86/07/737148607.db2.gz LJHSOSOPLCWZKG-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001023692858 737207940 /nfs/dbraw/zinc/20/79/40/737207940.db2.gz MQUNUZCTBHXYJZ-HUUCEWRRSA-N 1 1 331.420 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001023694690 737209138 /nfs/dbraw/zinc/20/91/38/737209138.db2.gz HWYCFDVVSXZQRB-CYBMUJFWSA-N 1 1 329.400 0.935 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](CCOC)CCO3)cn1 ZINC000972644436 737233292 /nfs/dbraw/zinc/23/32/92/737233292.db2.gz XRNMNSAUKJPGFF-GOSISDBHSA-N 1 1 329.400 0.626 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCOC)CCO3)cn1 ZINC000972644436 737233297 /nfs/dbraw/zinc/23/32/97/737233297.db2.gz XRNMNSAUKJPGFF-GOSISDBHSA-N 1 1 329.400 0.626 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023753379 737299454 /nfs/dbraw/zinc/29/94/54/737299454.db2.gz DVEISIDWMCJGGN-NWDGAFQWSA-N 1 1 335.857 0.259 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023753379 737299460 /nfs/dbraw/zinc/29/94/60/737299460.db2.gz DVEISIDWMCJGGN-NWDGAFQWSA-N 1 1 335.857 0.259 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972676824 737355758 /nfs/dbraw/zinc/35/57/58/737355758.db2.gz MIVOXFRBFXTXOH-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972676824 737355768 /nfs/dbraw/zinc/35/57/68/737355768.db2.gz MIVOXFRBFXTXOH-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC000972688813 737386151 /nfs/dbraw/zinc/38/61/51/737386151.db2.gz XBPLLDDOLQSYKB-STQMWFEESA-N 1 1 332.404 0.667 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC000972700578 737455466 /nfs/dbraw/zinc/45/54/66/737455466.db2.gz ZLFOTKHLDAZZPG-WMLDXEAASA-N 1 1 336.436 0.409 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001069992641 790286745 /nfs/dbraw/zinc/28/67/45/790286745.db2.gz MUSVNMPRQVXDQH-KGLIPLIRSA-N 1 1 342.403 0.837 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001069992641 790286751 /nfs/dbraw/zinc/28/67/51/790286751.db2.gz MUSVNMPRQVXDQH-KGLIPLIRSA-N 1 1 342.403 0.837 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)nc1 ZINC000972751815 737594025 /nfs/dbraw/zinc/59/40/25/737594025.db2.gz LHIKIOZLVTVJKJ-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001024278033 737878060 /nfs/dbraw/zinc/87/80/60/737878060.db2.gz ZVLWWBJBBDUGNQ-WBVHZDCISA-N 1 1 346.475 0.048 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1cn(C)nn1 ZINC001024486839 738013772 /nfs/dbraw/zinc/01/37/72/738013772.db2.gz JNHHEMUHHNJYAU-SJORKVTESA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1cn(C)nn1 ZINC001024486839 738013776 /nfs/dbraw/zinc/01/37/76/738013776.db2.gz JNHHEMUHHNJYAU-SJORKVTESA-N 1 1 344.463 0.383 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001024542335 738083285 /nfs/dbraw/zinc/08/32/85/738083285.db2.gz VKJWDLHVAFJHDF-HNNXBMFYSA-N 1 1 346.431 0.497 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C(C)(C)[C@H]21 ZINC001087289375 738124159 /nfs/dbraw/zinc/12/41/59/738124159.db2.gz LIPNZXWCVWEOER-BNOWGMLFSA-N 1 1 346.435 0.168 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCOCC1=O ZINC001087289921 738127555 /nfs/dbraw/zinc/12/75/55/738127555.db2.gz ULYFCHXZCFZIQL-XOKHGSTOSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(NC(N)=O)c3)[C@H]2C1 ZINC001083270653 738189595 /nfs/dbraw/zinc/18/95/95/738189595.db2.gz QZVARNLSROOWPL-JKSUJKDBSA-N 1 1 342.399 0.726 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC001024661349 738205856 /nfs/dbraw/zinc/20/58/56/738205856.db2.gz CXAWRWSNZJPXNM-OAGGEKHMSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC001024661349 738205860 /nfs/dbraw/zinc/20/58/60/738205860.db2.gz CXAWRWSNZJPXNM-OAGGEKHMSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001024812648 738317080 /nfs/dbraw/zinc/31/70/80/738317080.db2.gz QPWDWAPRMTZCED-ZDUSSCGKSA-N 1 1 334.424 0.314 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001025243676 738908679 /nfs/dbraw/zinc/90/86/79/738908679.db2.gz DIPOXGQZAWVHRC-HOTGVXAUSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001025243676 738908681 /nfs/dbraw/zinc/90/86/81/738908681.db2.gz DIPOXGQZAWVHRC-HOTGVXAUSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025276802 738997294 /nfs/dbraw/zinc/99/72/94/738997294.db2.gz KZULEWVLWDUJHP-KGLIPLIRSA-N 1 1 332.404 0.017 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nc2)C1 ZINC001104579462 739036826 /nfs/dbraw/zinc/03/68/26/739036826.db2.gz NLNYVOCZYLCHSB-BBRMVZONSA-N 1 1 331.420 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nc2)C1 ZINC001104579462 739036828 /nfs/dbraw/zinc/03/68/28/739036828.db2.gz NLNYVOCZYLCHSB-BBRMVZONSA-N 1 1 331.420 0.933 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2csc(C)n2)C1 ZINC000973410811 739224085 /nfs/dbraw/zinc/22/40/85/739224085.db2.gz RDFAKARHGCJPSS-YDHLFZDLSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2csc(C)n2)C1 ZINC000973410811 739224086 /nfs/dbraw/zinc/22/40/86/739224086.db2.gz RDFAKARHGCJPSS-YDHLFZDLSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC000973410732 739224346 /nfs/dbraw/zinc/22/43/46/739224346.db2.gz NGHFEGRMUKDSMS-IHRRRGAJSA-N 1 1 345.399 0.763 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC000973410732 739224350 /nfs/dbraw/zinc/22/43/50/739224350.db2.gz NGHFEGRMUKDSMS-IHRRRGAJSA-N 1 1 345.399 0.763 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000973416361 739236363 /nfs/dbraw/zinc/23/63/63/739236363.db2.gz ODDUEYHYVCOUCA-KBUPBQIOSA-N 1 1 335.448 0.825 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000973416361 739236366 /nfs/dbraw/zinc/23/63/66/739236366.db2.gz ODDUEYHYVCOUCA-KBUPBQIOSA-N 1 1 335.448 0.825 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3noc4c3COCC4)[C@H]2C1 ZINC001083280587 739288896 /nfs/dbraw/zinc/28/88/96/739288896.db2.gz XNXLHUIWDKIMFS-DZGCQCFKSA-N 1 1 333.388 0.849 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3noc4c3COCC4)[C@H]2C1 ZINC001083280587 739288900 /nfs/dbraw/zinc/28/89/00/739288900.db2.gz XNXLHUIWDKIMFS-DZGCQCFKSA-N 1 1 333.388 0.849 20 30 ECEDMO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001025380741 739312237 /nfs/dbraw/zinc/31/22/37/739312237.db2.gz JMQLZJFOVPPIIR-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000987995234 751435630 /nfs/dbraw/zinc/43/56/30/751435630.db2.gz YTQLHGMQMZUUDF-SJORKVTESA-N 1 1 347.459 0.427 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000987995234 751435632 /nfs/dbraw/zinc/43/56/32/751435632.db2.gz YTQLHGMQMZUUDF-SJORKVTESA-N 1 1 347.459 0.427 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000987995231 751435769 /nfs/dbraw/zinc/43/57/69/751435769.db2.gz YTQLHGMQMZUUDF-IAGOWNOFSA-N 1 1 347.459 0.427 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC000987995231 751435771 /nfs/dbraw/zinc/43/57/71/751435771.db2.gz YTQLHGMQMZUUDF-IAGOWNOFSA-N 1 1 347.459 0.427 20 30 ECEDMO C=C(Cl)CN1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001083281012 739448771 /nfs/dbraw/zinc/44/87/71/739448771.db2.gz QQUHVDJMGOAHRW-ZNMIVQPWSA-N 1 1 343.855 0.371 20 30 ECEDMO C=C(Cl)CN1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001083281012 739448774 /nfs/dbraw/zinc/44/87/74/739448774.db2.gz QQUHVDJMGOAHRW-ZNMIVQPWSA-N 1 1 343.855 0.371 20 30 ECEDMO C[C@H](CNc1ccncc1C#N)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001104728246 739554655 /nfs/dbraw/zinc/55/46/55/739554655.db2.gz LGIAEFMGWQKBMM-GFCCVEGCSA-N 1 1 342.403 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2nc3nccc(C)n3n2)C1 ZINC001025604675 739769464 /nfs/dbraw/zinc/76/94/64/739769464.db2.gz BHNBXZWGIUNNOA-UONOGXRCSA-N 1 1 326.404 0.896 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnc(C)cn3)C2)nn1 ZINC001098603971 739834503 /nfs/dbraw/zinc/83/45/03/739834503.db2.gz CXSVBPDDPYFQPK-CQSZACIVSA-N 1 1 327.392 0.739 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4C[C@]45CCOC5)C[C@H]32)c1 ZINC001025723489 739896689 /nfs/dbraw/zinc/89/66/89/739896689.db2.gz LSQANSKSLGOPEE-RIENRQNYSA-N 1 1 326.400 0.973 20 30 ECEDMO C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025797762 739965965 /nfs/dbraw/zinc/96/59/65/739965965.db2.gz LJBDOBWXUZVLFX-QMIVOQANSA-N 1 1 325.840 0.649 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)c1 ZINC000988095560 751527197 /nfs/dbraw/zinc/52/71/97/751527197.db2.gz FNHFWHLAMAWLKP-KMFMINBZSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)c1 ZINC000988095561 751526836 /nfs/dbraw/zinc/52/68/36/751526836.db2.gz FNHFWHLAMAWLKP-UNEWFSDZSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C2CC2)C1=O ZINC001026098518 740372090 /nfs/dbraw/zinc/37/20/90/740372090.db2.gz CWPADBOLEYDKKC-KMIMBKNBSA-N 1 1 329.444 0.866 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026096069 740374271 /nfs/dbraw/zinc/37/42/71/740374271.db2.gz NOSDZWQZFOTWHW-NYXISSTPSA-N 1 1 347.459 0.683 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC000982061525 751543223 /nfs/dbraw/zinc/54/32/23/751543223.db2.gz ZKNJYUSEUDKJIW-HOCLYGCPSA-N 1 1 335.448 0.767 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC000982061525 751543226 /nfs/dbraw/zinc/54/32/26/751543226.db2.gz ZKNJYUSEUDKJIW-HOCLYGCPSA-N 1 1 335.448 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2snnc2C)C1 ZINC000973864831 740510061 /nfs/dbraw/zinc/51/00/61/740510061.db2.gz QDXYYXWLFWZQTM-XQQFMLRXSA-N 1 1 347.444 0.321 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2snnc2C)C1 ZINC000973864831 740510063 /nfs/dbraw/zinc/51/00/63/740510063.db2.gz QDXYYXWLFWZQTM-XQQFMLRXSA-N 1 1 347.444 0.321 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccnc(C#N)n2)C1 ZINC001104794509 740515387 /nfs/dbraw/zinc/51/53/87/740515387.db2.gz JFPYMGNXZOHXQS-KBPBESRZSA-N 1 1 346.435 0.138 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2ccnc(C#N)n2)C1 ZINC001104794509 740515388 /nfs/dbraw/zinc/51/53/88/740515388.db2.gz JFPYMGNXZOHXQS-KBPBESRZSA-N 1 1 346.435 0.138 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2cncc(C#N)n2)C1 ZINC001104795644 740516413 /nfs/dbraw/zinc/51/64/13/740516413.db2.gz WGNINBXTQZCEIN-DZGCQCFKSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2cncc(C#N)n2)C1 ZINC001104795644 740516416 /nfs/dbraw/zinc/51/64/16/740516416.db2.gz WGNINBXTQZCEIN-DZGCQCFKSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104794817 740519195 /nfs/dbraw/zinc/51/91/95/740519195.db2.gz MEWMWBWQEYVHAB-UKRRQHHQSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104794817 740519196 /nfs/dbraw/zinc/51/91/96/740519196.db2.gz MEWMWBWQEYVHAB-UKRRQHHQSA-N 1 1 346.435 0.716 20 30 ECEDMO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)CN3CCOCC3)C[C@H]21 ZINC001026293834 740766370 /nfs/dbraw/zinc/76/63/70/740766370.db2.gz KXNXTRUJNDICTE-GVDBMIGSSA-N 1 1 333.476 0.805 20 30 ECEDMO C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104869368 740767476 /nfs/dbraw/zinc/76/74/76/740767476.db2.gz ULCQPAGNVISQIZ-OUCADQQQSA-N 1 1 332.408 0.326 20 30 ECEDMO C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104869368 740767479 /nfs/dbraw/zinc/76/74/79/740767479.db2.gz ULCQPAGNVISQIZ-OUCADQQQSA-N 1 1 332.408 0.326 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000974040891 740829008 /nfs/dbraw/zinc/82/90/08/740829008.db2.gz KGLAKEQUQIBYNO-RUZUBIRVSA-N 1 1 329.404 0.604 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2ccc(C)o2)C1 ZINC000974041798 740830564 /nfs/dbraw/zinc/83/05/64/740830564.db2.gz YOTFEZJFQMTVJM-UXLLHSPISA-N 1 1 343.427 0.992 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2ccc(C)o2)C1 ZINC000974041798 740830571 /nfs/dbraw/zinc/83/05/71/740830571.db2.gz YOTFEZJFQMTVJM-UXLLHSPISA-N 1 1 343.427 0.992 20 30 ECEDMO CC(C)C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001104926562 740949123 /nfs/dbraw/zinc/94/91/23/740949123.db2.gz VXZYUFNCXKOLSP-GJZGRUSLSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001104926562 740949125 /nfs/dbraw/zinc/94/91/25/740949125.db2.gz VXZYUFNCXKOLSP-GJZGRUSLSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104926324 740955201 /nfs/dbraw/zinc/95/52/01/740955201.db2.gz OPZBPOFMFYZUPY-ZIAGYGMSSA-N 1 1 346.435 0.044 20 30 ECEDMO CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104926324 740955204 /nfs/dbraw/zinc/95/52/04/740955204.db2.gz OPZBPOFMFYZUPY-ZIAGYGMSSA-N 1 1 346.435 0.044 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC000982103634 751592853 /nfs/dbraw/zinc/59/28/53/751592853.db2.gz WCHAOYYSCJYMQW-UHFFFAOYSA-N 1 1 346.431 0.265 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nnc(C)s1 ZINC001038365069 740966589 /nfs/dbraw/zinc/96/65/89/740966589.db2.gz ASLCPJRHWQMLAE-KBPBESRZSA-N 1 1 333.461 0.635 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nnc(C)s1 ZINC001038365069 740966591 /nfs/dbraw/zinc/96/65/91/740966591.db2.gz ASLCPJRHWQMLAE-KBPBESRZSA-N 1 1 333.461 0.635 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cn(C4CCOCC4)nn3)C2)C1 ZINC000982105954 751595368 /nfs/dbraw/zinc/59/53/68/751595368.db2.gz JMDXJMBTNBTBDG-UHFFFAOYSA-N 1 1 343.431 0.801 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC000974143382 741000620 /nfs/dbraw/zinc/00/06/20/741000620.db2.gz QBBWQGDDRQBNFQ-MQYQWHSLSA-N 1 1 346.435 0.039 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000974147186 741004979 /nfs/dbraw/zinc/00/49/79/741004979.db2.gz MBWARRMQHPJUBV-SOUVJXGZSA-N 1 1 326.400 0.392 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC000982109888 751601940 /nfs/dbraw/zinc/60/19/40/751601940.db2.gz CEAVYAJDLNWIIG-UHFFFAOYSA-N 1 1 344.415 0.670 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC000982109888 751601942 /nfs/dbraw/zinc/60/19/42/751601942.db2.gz CEAVYAJDLNWIIG-UHFFFAOYSA-N 1 1 344.415 0.670 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000974188482 741072231 /nfs/dbraw/zinc/07/22/31/741072231.db2.gz QTMDUDZGPDFVPV-QXSJWSMHSA-N 1 1 346.431 0.936 20 30 ECEDMO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C(F)(F)F ZINC001112068726 741077461 /nfs/dbraw/zinc/07/74/61/741077461.db2.gz NHSHSJLFYRQLRE-GMTAPVOTSA-N 1 1 334.342 0.603 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+]([C@H](C)C(N)=O)C3)nc1 ZINC000982122655 751617662 /nfs/dbraw/zinc/61/76/62/751617662.db2.gz LPFCCCIQOCKUKA-CYBMUJFWSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@H](C)C(N)=O)C3)nc1 ZINC000982122655 751617663 /nfs/dbraw/zinc/61/76/63/751617663.db2.gz LPFCCCIQOCKUKA-CYBMUJFWSA-N 1 1 326.400 0.475 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001006653831 751627189 /nfs/dbraw/zinc/62/71/89/751627189.db2.gz SIIACZKNWNVMDY-KGLIPLIRSA-N 1 1 335.404 0.242 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C3=COCCO3)C2)C1=O ZINC001006653831 751627193 /nfs/dbraw/zinc/62/71/93/751627193.db2.gz SIIACZKNWNVMDY-KGLIPLIRSA-N 1 1 335.404 0.242 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nnnn1C(C)C ZINC001038369925 741343278 /nfs/dbraw/zinc/34/32/78/741343278.db2.gz XXPBKYWEKMPSME-GJZGRUSLSA-N 1 1 345.451 0.042 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nnnn1C(C)C ZINC001038369925 741343281 /nfs/dbraw/zinc/34/32/81/741343281.db2.gz XXPBKYWEKMPSME-GJZGRUSLSA-N 1 1 345.451 0.042 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000982141535 751636919 /nfs/dbraw/zinc/63/69/19/751636919.db2.gz ITNDOMTVNOXFJG-ZDUSSCGKSA-N 1 1 334.420 0.475 20 30 ECEDMO COC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001105217699 741482190 /nfs/dbraw/zinc/48/21/90/741482190.db2.gz GAGGLHGVOFFAHL-LLVKDONJSA-N 1 1 343.391 0.299 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCCNC2=O)cc1 ZINC001038371500 741504982 /nfs/dbraw/zinc/50/49/82/741504982.db2.gz KDIKPQVPIAAKAY-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCCNC2=O)cc1 ZINC001038371500 741504986 /nfs/dbraw/zinc/50/49/86/741504986.db2.gz KDIKPQVPIAAKAY-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO CC(C)C#CC(=O)N1CC(n2cc(C[NH2+]CCOC3CCC3)nn2)C1 ZINC001105237869 741524516 /nfs/dbraw/zinc/52/45/16/741524516.db2.gz AOTWQIBENZBZQD-UHFFFAOYSA-N 1 1 345.447 0.980 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C)nn3)C2)nn1 ZINC001105235885 741528260 /nfs/dbraw/zinc/52/82/60/741528260.db2.gz YLTJMBJYJJXOHR-UHFFFAOYSA-N 1 1 327.392 0.739 20 30 ECEDMO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]C[C@H](O)COC)nn2)C1 ZINC001105252462 741561657 /nfs/dbraw/zinc/56/16/57/741561657.db2.gz SBIPYQSWFRTOFW-HNNXBMFYSA-N 1 1 337.424 0.115 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2CCC(NC(=O)Cc3cnc[nH]3)CC2)C1=O ZINC001026568520 741566401 /nfs/dbraw/zinc/56/64/01/741566401.db2.gz KSNUJYLFNBSRKQ-XUJLQICISA-N 1 1 345.447 0.756 20 30 ECEDMO C#CCC1(C(=O)N2CC(n3cc(C[NH2+][C@@H](C)COC)nn3)C2)CCC1 ZINC001105259756 741585905 /nfs/dbraw/zinc/58/59/05/741585905.db2.gz LJCNBHHPPUPTIQ-AWEZNQCLSA-N 1 1 345.447 0.980 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn4cccnc4n3)C2)nn1 ZINC001105276447 741629339 /nfs/dbraw/zinc/62/93/39/741629339.db2.gz IMLMRRKAVKTDCH-UHFFFAOYSA-N 1 1 338.375 0.294 20 30 ECEDMO CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1ccnc(C#N)n1 ZINC001105288443 741649056 /nfs/dbraw/zinc/64/90/56/741649056.db2.gz MPRSYTSDXCXAGX-KGLIPLIRSA-N 1 1 330.436 0.665 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCNC(=O)C(C)(C)C)C2)nn1 ZINC001105295066 741667299 /nfs/dbraw/zinc/66/72/99/741667299.db2.gz XEWJHOSKSCXDCR-UHFFFAOYSA-N 1 1 348.451 0.489 20 30 ECEDMO CC(C)[C@@H](CNC(=O)CCc1cnc[nH]1)Nc1ccnc(C#N)n1 ZINC001105298619 741678396 /nfs/dbraw/zinc/67/83/96/741678396.db2.gz NBDCARACTLMYPH-CYBMUJFWSA-N 1 1 327.392 0.679 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001026710225 741694198 /nfs/dbraw/zinc/69/41/98/741694198.db2.gz JSLDDFIKISLDQD-KGLIPLIRSA-N 1 1 331.420 0.557 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC001026710224 741694301 /nfs/dbraw/zinc/69/43/01/741694301.db2.gz JSLDDFIKISLDQD-KBPBESRZSA-N 1 1 331.420 0.557 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)nn1 ZINC001105312497 741729830 /nfs/dbraw/zinc/72/98/30/741729830.db2.gz OTWXBZBPBBJXOS-OAHLLOKOSA-N 1 1 344.463 0.506 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001026744052 741751485 /nfs/dbraw/zinc/75/14/85/741751485.db2.gz CXGGGTPVVLWSRR-UKRRQHHQSA-N 1 1 331.420 0.177 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000974462587 741770757 /nfs/dbraw/zinc/77/07/57/741770757.db2.gz FFTWWKORMRUJDH-BRWVUGGUSA-N 1 1 329.444 0.943 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(n3cc(C[NH2+]C[C@H](O)COC)nn3)C2)C1 ZINC001105324075 741790807 /nfs/dbraw/zinc/79/08/07/741790807.db2.gz QTPNRLWJPUUQAJ-HNNXBMFYSA-N 1 1 349.435 0.115 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)nn1 ZINC001105327295 741813658 /nfs/dbraw/zinc/81/36/58/741813658.db2.gz ZVFSNRVAMJHYQD-OLZOCXBDSA-N 1 1 346.435 0.229 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3cnn(C)n3)C2)nn1 ZINC001105328549 741823637 /nfs/dbraw/zinc/82/36/37/741823637.db2.gz JULNIBCKMVCNQE-UHFFFAOYSA-N 1 1 344.423 0.088 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+][C@@H](C)COC)nn2)C1 ZINC001105329990 741833211 /nfs/dbraw/zinc/83/32/11/741833211.db2.gz IXQYPRXKSPTOGU-MAZHCROVSA-N 1 1 349.435 0.377 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C2)nn1 ZINC001105330124 741833911 /nfs/dbraw/zinc/83/39/11/741833911.db2.gz PKJNYURJWQSAEJ-HUUCEWRRSA-N 1 1 341.419 0.474 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC000982176066 751675091 /nfs/dbraw/zinc/67/50/91/751675091.db2.gz BBRIWQWTMVNHBQ-LBPRGKRZSA-N 1 1 339.823 0.716 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC000982176066 751675098 /nfs/dbraw/zinc/67/50/98/751675098.db2.gz BBRIWQWTMVNHBQ-LBPRGKRZSA-N 1 1 339.823 0.716 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000974638091 741959645 /nfs/dbraw/zinc/95/96/45/741959645.db2.gz DKOSELGCLBGVDR-ZDUSSCGKSA-N 1 1 329.466 0.425 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C(C)(C)C1 ZINC000974662349 741976516 /nfs/dbraw/zinc/97/65/16/741976516.db2.gz JVIMSUFNXQQGQS-GFCCVEGCSA-N 1 1 327.388 0.747 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2cnn(C)c2)CC1(C)C ZINC000974688586 742008285 /nfs/dbraw/zinc/00/82/85/742008285.db2.gz BGQHNILOMSXPOU-IRXDYDNUSA-N 1 1 343.475 0.844 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2cnn(C)c2)CC1(C)C ZINC000974688586 742008289 /nfs/dbraw/zinc/00/82/89/742008289.db2.gz BGQHNILOMSXPOU-IRXDYDNUSA-N 1 1 343.475 0.844 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]21 ZINC000974727965 742122063 /nfs/dbraw/zinc/12/20/63/742122063.db2.gz IVOWJFZBBHWBRI-OAGGEKHMSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]21 ZINC000974727965 742122065 /nfs/dbraw/zinc/12/20/65/742122065.db2.gz IVOWJFZBBHWBRI-OAGGEKHMSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C2CC2)n1 ZINC001114939748 742123221 /nfs/dbraw/zinc/12/32/21/742123221.db2.gz NVZMJCXCQHWUSA-MUYACECFSA-N 1 1 342.399 0.350 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C2CC2)n1 ZINC001114939748 742123222 /nfs/dbraw/zinc/12/32/22/742123222.db2.gz NVZMJCXCQHWUSA-MUYACECFSA-N 1 1 342.399 0.350 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C(C)(C)C1 ZINC000974766487 742155996 /nfs/dbraw/zinc/15/59/96/742155996.db2.gz HVOAMLPUVLDNCS-GFCCVEGCSA-N 1 1 341.433 0.943 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000975223987 742610867 /nfs/dbraw/zinc/61/08/67/742610867.db2.gz XFSUOUWAGAISDF-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)C1=O ZINC000982237037 751747853 /nfs/dbraw/zinc/74/78/53/751747853.db2.gz UAANVLYANKUOSP-DFEHZGFQSA-N 1 1 332.448 0.937 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000975281960 742691100 /nfs/dbraw/zinc/69/11/00/742691100.db2.gz OIXYRZAIARCVSY-KBPBESRZSA-N 1 1 343.431 0.806 20 30 ECEDMO N#Cc1cnc(N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001058926791 751769417 /nfs/dbraw/zinc/76/94/17/751769417.db2.gz LMNMKJXYPNEOSN-ZDUSSCGKSA-N 1 1 330.392 0.083 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001028941123 742939350 /nfs/dbraw/zinc/93/93/50/742939350.db2.gz SDKXIGMKUOWZHT-XJKSGUPXSA-N 1 1 326.400 0.393 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000988288970 751789180 /nfs/dbraw/zinc/78/91/80/751789180.db2.gz VTOXXUFDIBAHCG-QWHCGFSZSA-N 1 1 347.419 0.816 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)CS(C)(=O)=O ZINC000988283436 751793223 /nfs/dbraw/zinc/79/32/23/751793223.db2.gz ULNAZKSAUAGHNQ-SWLSCSKDSA-N 1 1 335.429 0.682 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1csc([C@@H](C)OC)n1 ZINC001125997956 743154944 /nfs/dbraw/zinc/15/49/44/743154944.db2.gz ITZNJWWRYHIFSI-LLVKDONJSA-N 1 1 338.433 0.196 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc1 ZINC000997091546 743221850 /nfs/dbraw/zinc/22/18/50/743221850.db2.gz AZTLQAZUBRACLZ-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)cn1 ZINC000997101703 743236292 /nfs/dbraw/zinc/23/62/92/743236292.db2.gz KNBWQJMXVGXVNP-MRXNPFEDSA-N 1 1 349.394 0.778 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CNCc3nnc(C)o3)C2)CC1 ZINC001027234020 743246016 /nfs/dbraw/zinc/24/60/16/743246016.db2.gz OFSJEYRFLVSOFB-HNNXBMFYSA-N 1 1 345.447 0.661 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H](C)C#N)[C@H]2C1 ZINC000975719233 743262460 /nfs/dbraw/zinc/26/24/60/743262460.db2.gz IHWGSWOJLLTWEY-QEJZJMRPSA-N 1 1 329.404 0.801 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3csc(COC)n3)C2)nn1 ZINC001105380630 743377077 /nfs/dbraw/zinc/37/70/77/743377077.db2.gz BZYDSHJAKIJNQM-UHFFFAOYSA-N 1 1 348.432 0.854 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnccn3)C2)C1=O ZINC001027280619 743425314 /nfs/dbraw/zinc/42/53/14/743425314.db2.gz ZGONHLYJNRHDQK-GOEBONIOSA-N 1 1 343.431 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2n[nH]cc2F)C1 ZINC001006790731 751831899 /nfs/dbraw/zinc/83/18/99/751831899.db2.gz BAYHYNYHYJNCGG-RISCZKNCSA-N 1 1 347.394 0.223 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2n[nH]cc2F)C1 ZINC001006790731 751831906 /nfs/dbraw/zinc/83/19/06/751831906.db2.gz BAYHYNYHYJNCGG-RISCZKNCSA-N 1 1 347.394 0.223 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)C1=O ZINC001027311387 743591501 /nfs/dbraw/zinc/59/15/01/743591501.db2.gz OZAHQAFKAZYQAY-HIFRSBDPSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001027311387 743591506 /nfs/dbraw/zinc/59/15/06/743591506.db2.gz OZAHQAFKAZYQAY-HIFRSBDPSA-N 1 1 331.420 0.733 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001027311387 743591511 /nfs/dbraw/zinc/59/15/11/743591511.db2.gz OZAHQAFKAZYQAY-HIFRSBDPSA-N 1 1 331.420 0.733 20 30 ECEDMO CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000997671167 743743319 /nfs/dbraw/zinc/74/33/19/743743319.db2.gz KXDJUCACNBQRTM-DZGCQCFKSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(C)[nH]1 ZINC000976263201 743760067 /nfs/dbraw/zinc/76/00/67/743760067.db2.gz SQKPSSAKXQWZQF-LQKXBSAESA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(C)[nH]1 ZINC000976263201 743760071 /nfs/dbraw/zinc/76/00/71/743760071.db2.gz SQKPSSAKXQWZQF-LQKXBSAESA-N 1 1 341.415 0.002 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3ccon3)C2)C1=O ZINC001027338467 743808583 /nfs/dbraw/zinc/80/85/83/743808583.db2.gz KMBBCEYGCHUQOT-CVEARBPZSA-N 1 1 346.431 0.927 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000976314574 743822907 /nfs/dbraw/zinc/82/29/07/743822907.db2.gz ZDJBFOIEMSYRCH-JSEZXORMSA-N 1 1 335.448 0.492 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000976314574 743822910 /nfs/dbraw/zinc/82/29/10/743822910.db2.gz ZDJBFOIEMSYRCH-JSEZXORMSA-N 1 1 335.448 0.492 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344109 743826848 /nfs/dbraw/zinc/82/68/48/743826848.db2.gz OBWUHBXCNHBUMR-CQSZACIVSA-N 1 1 332.379 0.996 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[nH]c1C ZINC000976333396 743830916 /nfs/dbraw/zinc/83/09/16/743830916.db2.gz ZQEVQBPMWFTFKC-VVLHAWIVSA-N 1 1 340.427 0.607 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[nH]c1C ZINC000976333396 743830922 /nfs/dbraw/zinc/83/09/22/743830922.db2.gz ZQEVQBPMWFTFKC-VVLHAWIVSA-N 1 1 340.427 0.607 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2oncc2C)C1=O ZINC001028239784 751868942 /nfs/dbraw/zinc/86/89/42/751868942.db2.gz WXGAPKOHJCHVSW-KGLIPLIRSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2oncc2C)C1=O ZINC001028239784 751868950 /nfs/dbraw/zinc/86/89/50/751868950.db2.gz WXGAPKOHJCHVSW-KGLIPLIRSA-N 1 1 332.404 0.964 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000998055201 743951801 /nfs/dbraw/zinc/95/18/01/743951801.db2.gz ZLASDGCEKAEPPN-AWEZNQCLSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CC2CC(OCC)C2)C1 ZINC000998057439 743953214 /nfs/dbraw/zinc/95/32/14/743953214.db2.gz BOUOZLMRMOHTIN-PREGVCBESA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CC2CC(OCC)C2)C1 ZINC000998057439 743953216 /nfs/dbraw/zinc/95/32/16/743953216.db2.gz BOUOZLMRMOHTIN-PREGVCBESA-N 1 1 347.459 0.616 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001006823299 751874260 /nfs/dbraw/zinc/87/42/60/751874260.db2.gz CXUYRKXIUGCHDU-GUYCJALGSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC000998170312 744026687 /nfs/dbraw/zinc/02/66/87/744026687.db2.gz QRJOJLXHQUTFAG-KBPBESRZSA-N 1 1 340.427 0.734 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000976555017 744080461 /nfs/dbraw/zinc/08/04/61/744080461.db2.gz AKPPBUZKFXOXGM-DAXOMENPSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)cc1 ZINC001078243469 782546147 /nfs/dbraw/zinc/54/61/47/782546147.db2.gz MTEMPUZEMJCOAZ-IAOVAPTHSA-N 1 1 334.416 0.336 20 30 ECEDMO N#CCN[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C(F)(F)F ZINC000998301901 744108468 /nfs/dbraw/zinc/10/84/68/744108468.db2.gz INQZWSUITNHKER-OLZOCXBDSA-N 1 1 348.369 0.601 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000976674874 744185639 /nfs/dbraw/zinc/18/56/39/744185639.db2.gz LNVIOSWKIYRAEW-RLPMIEJPSA-N 1 1 327.388 0.493 20 30 ECEDMO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027406435 744187688 /nfs/dbraw/zinc/18/76/88/744187688.db2.gz RLLZPHXTUXNWQF-JKSUJKDBSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)CC3CC[NH+](C)CC3)C2)nn1 ZINC001105339027 744265898 /nfs/dbraw/zinc/26/58/98/744265898.db2.gz ICAJTSMWYXRKKI-UHFFFAOYSA-N 1 1 344.463 0.506 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC000976741184 744276651 /nfs/dbraw/zinc/27/66/51/744276651.db2.gz PNOKFSJRDFQFFS-KNCOVGOOSA-N 1 1 333.407 0.920 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC000976741184 744276653 /nfs/dbraw/zinc/27/66/53/744276653.db2.gz PNOKFSJRDFQFFS-KNCOVGOOSA-N 1 1 333.407 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCOC3)C[C@H]21 ZINC000976743275 744279148 /nfs/dbraw/zinc/27/91/48/744279148.db2.gz WXZLQAORSCARIB-NRKLIOEPSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCOC3)C[C@H]21 ZINC000976743275 744279149 /nfs/dbraw/zinc/27/91/49/744279149.db2.gz WXZLQAORSCARIB-NRKLIOEPSA-N 1 1 345.443 0.084 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2nocc2C)C1=O ZINC001028248183 751913171 /nfs/dbraw/zinc/91/31/71/751913171.db2.gz GFEGKRAZTPKFOV-KBPBESRZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nocc2C)C1=O ZINC001028248183 751913175 /nfs/dbraw/zinc/91/31/75/751913175.db2.gz GFEGKRAZTPKFOV-KBPBESRZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001006867580 751916902 /nfs/dbraw/zinc/91/69/02/751916902.db2.gz XSICUUZYQDIBIO-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001006867580 751916906 /nfs/dbraw/zinc/91/69/06/751916906.db2.gz XSICUUZYQDIBIO-GDBMZVCRSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2nnc(C)[nH]2)C1 ZINC001027446258 744483447 /nfs/dbraw/zinc/48/34/47/744483447.db2.gz DGVWNDJLYUFRNX-HOTGVXAUSA-N 1 1 344.463 0.634 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@H]32)nc1 ZINC000976910919 744486530 /nfs/dbraw/zinc/48/65/30/744486530.db2.gz YROYMMHQDDXAEB-HDEZJCGLSA-N 1 1 338.411 0.344 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]31)CC2 ZINC000977076339 744640374 /nfs/dbraw/zinc/64/03/74/744640374.db2.gz SXKMFBZCOZNMAV-VNNIEUKBSA-N 1 1 341.415 0.487 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001027470856 744673200 /nfs/dbraw/zinc/67/32/00/744673200.db2.gz QKXDJDRMFQPMLD-LBPRGKRZSA-N 1 1 327.816 0.257 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001027470856 744673202 /nfs/dbraw/zinc/67/32/02/744673202.db2.gz QKXDJDRMFQPMLD-LBPRGKRZSA-N 1 1 327.816 0.257 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CC([NH2+]Cc3cnon3)C2)nn1 ZINC000999541997 744748818 /nfs/dbraw/zinc/74/88/18/744748818.db2.gz VLNNEPQWIWCNKK-UHFFFAOYSA-N 1 1 331.380 0.630 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)nn1 ZINC000977271580 744827334 /nfs/dbraw/zinc/82/73/34/744827334.db2.gz GSMCTTUHQRZSPY-TZMCWYRMSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)nn1 ZINC000977271580 744827336 /nfs/dbraw/zinc/82/73/36/744827336.db2.gz GSMCTTUHQRZSPY-TZMCWYRMSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977276321 744830489 /nfs/dbraw/zinc/83/04/89/744830489.db2.gz YNEZBUGDAWUAAB-QWHCGFSZSA-N 1 1 334.424 0.168 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)nn1 ZINC000977276321 744830490 /nfs/dbraw/zinc/83/04/90/744830490.db2.gz YNEZBUGDAWUAAB-QWHCGFSZSA-N 1 1 334.424 0.168 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccncc1 ZINC000977282018 744840343 /nfs/dbraw/zinc/84/03/43/744840343.db2.gz VGFXLNILIYMAIC-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccncc1 ZINC000977282018 744840345 /nfs/dbraw/zinc/84/03/45/744840345.db2.gz VGFXLNILIYMAIC-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)C1=O ZINC000977390706 744911739 /nfs/dbraw/zinc/91/17/39/744911739.db2.gz OKDNQURXEAFAJF-KGLIPLIRSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)C1=O ZINC000977390706 744911742 /nfs/dbraw/zinc/91/17/42/744911742.db2.gz OKDNQURXEAFAJF-KGLIPLIRSA-N 1 1 345.447 0.566 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000977419250 744955116 /nfs/dbraw/zinc/95/51/16/744955116.db2.gz LGDVUBVGRBUIAS-LBPRGKRZSA-N 1 1 334.420 0.167 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC000999874561 744980821 /nfs/dbraw/zinc/98/08/21/744980821.db2.gz ZZOHIEBAHVZYGV-QWHCGFSZSA-N 1 1 332.408 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cncs1 ZINC000977428976 744983996 /nfs/dbraw/zinc/98/39/96/744983996.db2.gz BIUBCONERLLLMD-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cncs1 ZINC000977428976 744983999 /nfs/dbraw/zinc/98/39/99/744983999.db2.gz BIUBCONERLLLMD-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000977445501 744998791 /nfs/dbraw/zinc/99/87/91/744998791.db2.gz IBFHIRIJDWYFPJ-CYBMUJFWSA-N 1 1 333.436 0.394 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000999892810 745022312 /nfs/dbraw/zinc/02/23/12/745022312.db2.gz ZQLQLRVZNNNBIU-RDTXWAMCSA-N 1 1 339.439 0.735 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 ZINC000999937201 745070366 /nfs/dbraw/zinc/07/03/66/745070366.db2.gz GGKSFCNOOPISKI-AWEZNQCLSA-N 1 1 331.376 0.053 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CCOCC3)nn2)C1 ZINC000999942358 745076840 /nfs/dbraw/zinc/07/68/40/745076840.db2.gz GNXTXIJEFZGYIR-INIZCTEOSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](C[C@H](C)O)CC1(C)C ZINC000977508913 745092958 /nfs/dbraw/zinc/09/29/58/745092958.db2.gz CMSHDBZODHDBJR-DZGCQCFKSA-N 1 1 331.416 0.915 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)nn3C)nn2)C1 ZINC000999962336 745105175 /nfs/dbraw/zinc/10/51/75/745105175.db2.gz LZAYMKDHVVDWAU-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]c(C)c3C)nn2)C1 ZINC000999962870 745106117 /nfs/dbraw/zinc/10/61/17/745106117.db2.gz NFGCXAIUAPDCIT-OAHLLOKOSA-N 1 1 341.419 0.818 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]nc(C)c3C)nn2)C1 ZINC000999962870 745106122 /nfs/dbraw/zinc/10/61/22/745106122.db2.gz NFGCXAIUAPDCIT-OAHLLOKOSA-N 1 1 341.419 0.818 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]nc(C)c3C)nn2)C1 ZINC000999962870 745106125 /nfs/dbraw/zinc/10/61/25/745106125.db2.gz NFGCXAIUAPDCIT-OAHLLOKOSA-N 1 1 341.419 0.818 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)CC2(C)C)nc1 ZINC000977520104 745112681 /nfs/dbraw/zinc/11/26/81/745112681.db2.gz BJENFEPDVFNOBN-GJZGRUSLSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)nc1 ZINC000977520104 745112683 /nfs/dbraw/zinc/11/26/83/745112683.db2.gz BJENFEPDVFNOBN-GJZGRUSLSA-N 1 1 328.416 0.767 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001059197531 745113695 /nfs/dbraw/zinc/11/36/95/745113695.db2.gz DHSIXYQKZISOKZ-UONOGXRCSA-N 1 1 338.477 0.692 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3C)nn2)C1 ZINC000999969526 745115775 /nfs/dbraw/zinc/11/57/75/745115775.db2.gz WOBRBCQYSFLHMC-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC000999972215 745120667 /nfs/dbraw/zinc/12/06/67/745120667.db2.gz UOJXXHHDKUTMAZ-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001028260628 751974730 /nfs/dbraw/zinc/97/47/30/751974730.db2.gz LRTKQHMFGXJBKF-LBPRGKRZSA-N 1 1 330.392 0.578 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnn3C(C)C)nn2)C1 ZINC000999985412 745138280 /nfs/dbraw/zinc/13/82/80/745138280.db2.gz BWXSILLVEMSHSH-OAHLLOKOSA-N 1 1 341.419 0.866 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC000999985179 745138498 /nfs/dbraw/zinc/13/84/98/745138498.db2.gz OXKNZUUXODKCFQ-AWEZNQCLSA-N 1 1 347.810 0.997 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC000999985179 745138504 /nfs/dbraw/zinc/13/85/04/745138504.db2.gz OXKNZUUXODKCFQ-AWEZNQCLSA-N 1 1 347.810 0.997 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CCN(CC#N)C3)nn2)CC[N@H+]1C ZINC000999986749 745140839 /nfs/dbraw/zinc/14/08/39/745140839.db2.gz KHDXKLBQRWJXEB-HRCADAONSA-N 1 1 345.451 0.395 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCOCC3)nn2)C1 ZINC000999987164 745142150 /nfs/dbraw/zinc/14/21/50/745142150.db2.gz VYRWWXRQRIHLNE-RDJZCZTQSA-N 1 1 345.447 0.981 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC000999987259 745142185 /nfs/dbraw/zinc/14/21/85/745142185.db2.gz XLZDOJPDZNZHEM-OAHLLOKOSA-N 1 1 327.392 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CC(OCC)C3)nn2)C1 ZINC000999987807 745142749 /nfs/dbraw/zinc/14/27/49/745142749.db2.gz YTDNQUOMAHHLLH-OGVSOVDVSA-N 1 1 331.420 0.589 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn4c3CCC4)nn2)C1 ZINC000999993378 745151267 /nfs/dbraw/zinc/15/12/67/745151267.db2.gz SEPJDAKVQXDBGL-AWEZNQCLSA-N 1 1 339.403 0.231 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C)nn3)nn2)C1 ZINC000999992942 745151444 /nfs/dbraw/zinc/15/14/44/745151444.db2.gz SPDXKRJXPMXSPD-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncc[nH]3)nn2)C1 ZINC000999993986 745153054 /nfs/dbraw/zinc/15/30/54/745153054.db2.gz YNBFXXAMBVSUFE-GFCCVEGCSA-N 1 1 335.799 0.931 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ncc[nH]3)nn2)C1 ZINC000999993986 745153057 /nfs/dbraw/zinc/15/30/57/745153057.db2.gz YNBFXXAMBVSUFE-GFCCVEGCSA-N 1 1 335.799 0.931 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(C)c(=O)c3)nn2)C1 ZINC000999997026 745156592 /nfs/dbraw/zinc/15/65/92/745156592.db2.gz LEGOUUSUANJQRS-HNNXBMFYSA-N 1 1 342.403 0.340 20 30 ECEDMO C=C(Cl)CN1CCC[C@@H]1CNC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001028261093 751976873 /nfs/dbraw/zinc/97/68/73/751976873.db2.gz TVMRKIQKNVQBMX-SNVBAGLBSA-N 1 1 336.783 0.364 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(COC)o3)nn2)C1 ZINC001000002181 745166110 /nfs/dbraw/zinc/16/61/10/745166110.db2.gz IBBQPBMRPJCZFI-AWEZNQCLSA-N 1 1 343.387 0.828 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(OCC)no3)nn2)C1 ZINC001000003124 745167231 /nfs/dbraw/zinc/16/72/31/745167231.db2.gz VEDVWKGTMSRWCA-CYBMUJFWSA-N 1 1 344.375 0.475 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCN(C)C3=O)nn2)C1 ZINC001000008637 745176210 /nfs/dbraw/zinc/17/62/10/745176210.db2.gz JNKYPXHUQACZFR-LSDHHAIUSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)nc[nH]c3=O)nn2)C1 ZINC001000011811 745180859 /nfs/dbraw/zinc/18/08/59/745180859.db2.gz ACYLMNZNDLAXSR-ZDUSSCGKSA-N 1 1 343.391 0.445 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001000013605 745183172 /nfs/dbraw/zinc/18/31/72/745183172.db2.gz KTUBGYUAVSLVNZ-CABCVRRESA-N 1 1 346.431 0.925 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]c(C)nc3C)nn2)C1 ZINC001000019502 745189825 /nfs/dbraw/zinc/18/98/25/745189825.db2.gz DSMYEIJSAWRYRY-OAHLLOKOSA-N 1 1 341.419 0.818 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3conc3C3CC3)nn2)C1 ZINC001000027469 745199822 /nfs/dbraw/zinc/19/98/22/745199822.db2.gz ZKAHJPJVCRGBMF-AWEZNQCLSA-N 1 1 340.387 0.954 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc4nccn4c3)nn2)C1 ZINC001000031817 745205959 /nfs/dbraw/zinc/20/59/59/745205959.db2.gz AXWBDFRCXSDMFB-INIZCTEOSA-N 1 1 349.398 0.736 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nc(C)oc3C)nn2)C1 ZINC001000033915 745208788 /nfs/dbraw/zinc/20/87/88/745208788.db2.gz HOXFQCPSRYIRET-AWEZNQCLSA-N 1 1 328.376 0.693 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)noc3CC)nn2)C1 ZINC001000042681 745222252 /nfs/dbraw/zinc/22/22/52/745222252.db2.gz GINQSLZVLNWMID-CQSZACIVSA-N 1 1 342.403 0.947 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nn(CC)nc3C)nn2)C1 ZINC001000043384 745224487 /nfs/dbraw/zinc/22/44/87/745224487.db2.gz QXQCXVKLANPTQC-CQSZACIVSA-N 1 1 342.407 0.008 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCCO3)[C@@H](O)C2)c1 ZINC001083410315 745257710 /nfs/dbraw/zinc/25/77/10/745257710.db2.gz AKGJJNLFFYCDSC-IKGGRYGDSA-N 1 1 329.400 0.789 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCCO3)[C@@H](O)C2)c1 ZINC001083410315 745257715 /nfs/dbraw/zinc/25/77/15/745257715.db2.gz AKGJJNLFFYCDSC-IKGGRYGDSA-N 1 1 329.400 0.789 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000977605622 745258175 /nfs/dbraw/zinc/25/81/75/745258175.db2.gz RWBRIRKEIYHPLY-BPLDGKMQSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C3CCOCC3)C2)nn1 ZINC001105385112 745262377 /nfs/dbraw/zinc/26/23/77/745262377.db2.gz VENYWSAYHVIPJK-ZDUSSCGKSA-N 1 1 333.436 1.000 20 30 ECEDMO COc1nccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001075776321 745270238 /nfs/dbraw/zinc/27/02/38/745270238.db2.gz HVRILYJORBMXGG-GOEBONIOSA-N 1 1 326.400 0.931 20 30 ECEDMO COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001075776321 745270246 /nfs/dbraw/zinc/27/02/46/745270246.db2.gz HVRILYJORBMXGG-GOEBONIOSA-N 1 1 326.400 0.931 20 30 ECEDMO C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001000203577 745343632 /nfs/dbraw/zinc/34/36/32/745343632.db2.gz QZKXFVKBMAHOAJ-CYBMUJFWSA-N 1 1 326.462 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)CSC)C1 ZINC000983849828 745387433 /nfs/dbraw/zinc/38/74/33/745387433.db2.gz DQZMNMCMFHLBGZ-GJZGRUSLSA-N 1 1 337.489 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)CSC)C1 ZINC000983849828 745387438 /nfs/dbraw/zinc/38/74/38/745387438.db2.gz DQZMNMCMFHLBGZ-GJZGRUSLSA-N 1 1 337.489 0.896 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccco4)[C@@H]3C2)C1=O ZINC000977714136 745421901 /nfs/dbraw/zinc/42/19/01/745421901.db2.gz QAFNLPDLWNQZOF-XQLPTFJDSA-N 1 1 329.400 0.974 20 30 ECEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)C(N)=O)C2)cc1C#N ZINC001027553408 745423417 /nfs/dbraw/zinc/42/34/17/745423417.db2.gz XGKCOCQLBKONLZ-CQSZACIVSA-N 1 1 330.388 0.475 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001029244340 745427061 /nfs/dbraw/zinc/42/70/61/745427061.db2.gz DADLJBGJDKWAOI-DMRZNYOFSA-N 1 1 330.432 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccns1 ZINC000977820726 745539319 /nfs/dbraw/zinc/53/93/19/745539319.db2.gz LMKBMAWPJVUTDF-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccns1 ZINC000977820726 745539321 /nfs/dbraw/zinc/53/93/21/745539321.db2.gz LMKBMAWPJVUTDF-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccnn4C)[C@@H]3C2)C1=O ZINC000977878367 745584514 /nfs/dbraw/zinc/58/45/14/745584514.db2.gz DFNMQEPQCIXEGK-HGTKMLMNSA-N 1 1 343.431 0.115 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@H+]([C@@H]3CCCNC3=O)CC2)c[nH]1 ZINC001000600577 745627217 /nfs/dbraw/zinc/62/72/17/745627217.db2.gz YLLYQOIGFQSKAN-OAHLLOKOSA-N 1 1 327.388 0.527 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc(C#N)nc1 ZINC001126518509 745663661 /nfs/dbraw/zinc/66/36/61/745663661.db2.gz YOUBBRUUUQDVHT-HNNXBMFYSA-N 1 1 345.447 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncoc4C)[C@@H]3C2)C1=O ZINC000977911722 745664236 /nfs/dbraw/zinc/66/42/36/745664236.db2.gz OJEZZMRNTTUBBN-XQLPTFJDSA-N 1 1 344.415 0.678 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ncoc1C ZINC000977926518 745680482 /nfs/dbraw/zinc/68/04/82/745680482.db2.gz KBYRRBIYDWEYAC-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ncoc1C ZINC000977926518 745680488 /nfs/dbraw/zinc/68/04/88/745680488.db2.gz KBYRRBIYDWEYAC-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cnsn1 ZINC000977930296 745686726 /nfs/dbraw/zinc/68/67/26/745686726.db2.gz SGLFNTYDLYWFIE-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cnsn1 ZINC000977930296 745686727 /nfs/dbraw/zinc/68/67/27/745686727.db2.gz SGLFNTYDLYWFIE-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCN(CC)C2=O)cn1 ZINC001028270682 752024240 /nfs/dbraw/zinc/02/42/40/752024240.db2.gz QQHHNIUDBNSLLN-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCN(CC)C2=O)cn1 ZINC001028270682 752024243 /nfs/dbraw/zinc/02/42/43/752024243.db2.gz QQHHNIUDBNSLLN-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001000683458 745695568 /nfs/dbraw/zinc/69/55/68/745695568.db2.gz SVXBMMOXTVDNCL-OAHLLOKOSA-N 1 1 341.415 0.534 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1nccnc1C#N ZINC001126522965 745715977 /nfs/dbraw/zinc/71/59/77/745715977.db2.gz IFIWLQJOIVTJJD-ZIAGYGMSSA-N 1 1 346.435 0.115 20 30 ECEDMO COc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)on1 ZINC000977974606 745733322 /nfs/dbraw/zinc/73/33/22/745733322.db2.gz JAJJHQXXSHYNNI-ZSOGYDGISA-N 1 1 341.371 0.991 20 30 ECEDMO COc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)on1 ZINC000977974606 745733327 /nfs/dbraw/zinc/73/33/27/745733327.db2.gz JAJJHQXXSHYNNI-ZSOGYDGISA-N 1 1 341.371 0.991 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1cnc(C#N)cn1 ZINC001126524183 745737314 /nfs/dbraw/zinc/73/73/14/745737314.db2.gz RWMFDLBHENJNLY-HIFRSBDPSA-N 1 1 346.435 0.115 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)cn1 ZINC001028270728 752029812 /nfs/dbraw/zinc/02/98/12/752029812.db2.gz RIGNQOHYXSVKGZ-LSDHHAIUSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)cn1 ZINC001028270728 752029818 /nfs/dbraw/zinc/02/98/18/752029818.db2.gz RIGNQOHYXSVKGZ-LSDHHAIUSA-N 1 1 340.383 0.062 20 30 ECEDMO C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CNC(=O)NC)CC1 ZINC001105393680 745816056 /nfs/dbraw/zinc/81/60/56/745816056.db2.gz FQXPAIGBKFHSIG-MRXNPFEDSA-N 1 1 332.448 0.642 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)N(C)C)nc1 ZINC001028271454 752035602 /nfs/dbraw/zinc/03/56/02/752035602.db2.gz GTKTWQZWYSOGHX-HIFRSBDPSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C)nc1 ZINC001028271454 752035607 /nfs/dbraw/zinc/03/56/07/752035607.db2.gz GTKTWQZWYSOGHX-HIFRSBDPSA-N 1 1 328.416 0.734 20 30 ECEDMO C=C(Br)CN1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001007004044 752041730 /nfs/dbraw/zinc/04/17/30/752041730.db2.gz UDKXWMMCSCYRBU-CHWSQXEVSA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(Br)CN1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001007004044 752041736 /nfs/dbraw/zinc/04/17/36/752041736.db2.gz UDKXWMMCSCYRBU-CHWSQXEVSA-N 1 1 346.269 0.806 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CCOC)nn2)C1 ZINC001098702901 745910266 /nfs/dbraw/zinc/91/02/66/745910266.db2.gz FAZXJRQPVAIPJO-INIZCTEOSA-N 1 1 333.436 0.981 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CCOC)c3C)[C@@H]2C1 ZINC000978140428 745956930 /nfs/dbraw/zinc/95/69/30/745956930.db2.gz DOXHPHCMGCZYIA-OSYLJGHBSA-N 1 1 330.432 0.769 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC001001021403 745986640 /nfs/dbraw/zinc/98/66/40/745986640.db2.gz NSIWEJPAXRDXAZ-UHFFFAOYSA-N 1 1 328.380 0.242 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000984187081 746008004 /nfs/dbraw/zinc/00/80/04/746008004.db2.gz XPFHKWUEQULPHH-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000984187081 746008006 /nfs/dbraw/zinc/00/80/06/746008006.db2.gz XPFHKWUEQULPHH-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001059337340 746010634 /nfs/dbraw/zinc/01/06/34/746010634.db2.gz GCUZVCTVCOPXPX-OAHLLOKOSA-N 1 1 325.453 0.886 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H](Nc3ccncc3C#N)C2)no1 ZINC001059342432 746044386 /nfs/dbraw/zinc/04/43/86/746044386.db2.gz RLWSQJZVRSRNEB-JOCQHMNTSA-N 1 1 340.387 0.798 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(CC)c(CC)n[nH]c3=O)[C@@H]2C1 ZINC000978219024 746053272 /nfs/dbraw/zinc/05/32/72/746053272.db2.gz CPHZMRCYKYWBOL-ZSOGYDGISA-N 1 1 328.416 0.848 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC000978262350 746107875 /nfs/dbraw/zinc/10/78/75/746107875.db2.gz BLBGCLYGGSMGTA-MPTYRVRUSA-N 1 1 342.443 0.812 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC001001143415 746110439 /nfs/dbraw/zinc/11/04/39/746110439.db2.gz HGIBGELFSKILIY-CVEARBPZSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cn(C)nn2)[C@@H]1CC ZINC001087607363 746115471 /nfs/dbraw/zinc/11/54/71/746115471.db2.gz ZTTIGKCMDLRFIQ-BBWFWOEESA-N 1 1 344.463 0.382 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cn(C)nn2)[C@@H]1CC ZINC001087607363 746115472 /nfs/dbraw/zinc/11/54/72/746115472.db2.gz ZTTIGKCMDLRFIQ-BBWFWOEESA-N 1 1 344.463 0.382 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=O)N(C)C2CC2)CC1 ZINC001001163366 746127405 /nfs/dbraw/zinc/12/74/05/746127405.db2.gz NCVYLWJOBWPFMO-SJORKVTESA-N 1 1 347.459 0.947 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=O)N(C)C2CC2)CC1 ZINC001001163366 746127407 /nfs/dbraw/zinc/12/74/07/746127407.db2.gz NCVYLWJOBWPFMO-SJORKVTESA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccnn3C)C2)nn1 ZINC001027607312 746167780 /nfs/dbraw/zinc/16/77/80/746167780.db2.gz VOTMNOFPCURDES-CQSZACIVSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccnn3C)C2)nn1 ZINC001027607312 746167782 /nfs/dbraw/zinc/16/77/82/746167782.db2.gz VOTMNOFPCURDES-CQSZACIVSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C2)nn1 ZINC001027608104 746188190 /nfs/dbraw/zinc/18/81/90/746188190.db2.gz CVKLISCTKZJCHL-STQMWFEESA-N 1 1 334.424 0.264 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C2)nn1 ZINC001027608103 746188354 /nfs/dbraw/zinc/18/83/54/746188354.db2.gz CVKLISCTKZJCHL-QWHCGFSZSA-N 1 1 334.424 0.264 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@H+](CC(=O)NC3CC3)CC2)nn1 ZINC001001241326 746200111 /nfs/dbraw/zinc/20/01/11/746200111.db2.gz JQRBENWQTLVVIY-UHFFFAOYSA-N 1 1 344.419 0.105 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+](CC(=O)NC3CC3)CC2)nn1 ZINC001001241326 746200115 /nfs/dbraw/zinc/20/01/15/746200115.db2.gz JQRBENWQTLVVIY-UHFFFAOYSA-N 1 1 344.419 0.105 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+]([C@H](CC)C(N)=O)CC2)nn1 ZINC001001243310 746201996 /nfs/dbraw/zinc/20/19/96/746201996.db2.gz YVDDUFZWSCEPOW-CQSZACIVSA-N 1 1 332.408 0.090 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001001245061 746203160 /nfs/dbraw/zinc/20/31/60/746203160.db2.gz LIXMYTXWFUZICS-BBWFWOEESA-N 1 1 347.459 0.995 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001001245061 746203162 /nfs/dbraw/zinc/20/31/62/746203162.db2.gz LIXMYTXWFUZICS-BBWFWOEESA-N 1 1 347.459 0.995 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@H+](CC(=O)N(C)C)CC2)nn1 ZINC001001246354 746204907 /nfs/dbraw/zinc/20/49/07/746204907.db2.gz VELNXYSVPLCGOH-UHFFFAOYSA-N 1 1 346.435 0.304 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@@H+](CC(=O)N(C)C)CC2)nn1 ZINC001001246354 746204909 /nfs/dbraw/zinc/20/49/09/746204909.db2.gz VELNXYSVPLCGOH-UHFFFAOYSA-N 1 1 346.435 0.304 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 ZINC000978343964 746226459 /nfs/dbraw/zinc/22/64/59/746226459.db2.gz YGGRRIAXERNSTH-LBELIVKGSA-N 1 1 332.322 0.260 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)[C@@H]1CC ZINC001087732364 746257660 /nfs/dbraw/zinc/25/76/60/746257660.db2.gz RMVRLAKKDXLMKQ-QXSJWSMHSA-N 1 1 333.436 0.838 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cn(C)c(=O)cn3)C[C@@]2(C)C1 ZINC000982380753 752075957 /nfs/dbraw/zinc/07/59/57/752075957.db2.gz DRHIQMHFFAGJAH-HDICACEKSA-N 1 1 328.416 0.588 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)[C@@H]2CC)nn1 ZINC001087753934 746286539 /nfs/dbraw/zinc/28/65/39/746286539.db2.gz GAVFSCRGPKCLCW-GXTWGEPZSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H]2CC)nn1 ZINC001087753934 746286543 /nfs/dbraw/zinc/28/65/43/746286543.db2.gz GAVFSCRGPKCLCW-GXTWGEPZSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnon3)C2)C1=O ZINC001027623843 746332516 /nfs/dbraw/zinc/33/25/16/746332516.db2.gz DGPVBBIHIZMQJU-JSGCOSHPSA-N 1 1 333.392 0.393 20 30 ECEDMO CC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C(F)(F)F ZINC001112167877 746357006 /nfs/dbraw/zinc/35/70/06/746357006.db2.gz KFFOCRAGQXWZIG-VXGBXAGGSA-N 1 1 329.326 0.740 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007100314 752085730 /nfs/dbraw/zinc/08/57/30/752085730.db2.gz NIPPOXKJMNKFPM-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007100314 752085738 /nfs/dbraw/zinc/08/57/38/752085738.db2.gz NIPPOXKJMNKFPM-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnc(C)n3C)C2)nn1 ZINC001098706082 746403555 /nfs/dbraw/zinc/40/35/55/746403555.db2.gz QTPQMAUYRBOFBV-AWEZNQCLSA-N 1 1 329.408 0.683 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@@H]2C1 ZINC000978525558 746404864 /nfs/dbraw/zinc/40/48/64/746404864.db2.gz KKAJQEVSPXMINC-NNPSNHGLSA-N 1 1 349.475 0.882 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1CC ZINC001087821803 746412898 /nfs/dbraw/zinc/41/28/98/746412898.db2.gz FDQSOZCQFXZXPP-UONOGXRCSA-N 1 1 336.436 0.816 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nc3[C@H]3CCOC3)[C@@H]2C1 ZINC000978548545 746416157 /nfs/dbraw/zinc/41/61/57/746416157.db2.gz NTHOPEBTHHWWGV-YHUYYLMFSA-N 1 1 342.443 0.855 20 30 ECEDMO N#Cc1cc(C(=O)NCC2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)c[nH]1 ZINC001001509858 746448697 /nfs/dbraw/zinc/44/86/97/746448697.db2.gz VKBDDFCAJKZXKG-SFHVURJKSA-N 1 1 341.415 0.560 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1CC ZINC001087840690 746470064 /nfs/dbraw/zinc/47/00/64/746470064.db2.gz JKOQPJXJACRDKZ-DZGCQCFKSA-N 1 1 348.451 0.525 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)CCC)C2)C1=O ZINC001087853653 746506351 /nfs/dbraw/zinc/50/63/51/746506351.db2.gz BAAPPJMINPIKEY-CVEARBPZSA-N 1 1 337.464 0.859 20 30 ECEDMO CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1)C1CCCC1 ZINC001083418309 746518201 /nfs/dbraw/zinc/51/82/01/746518201.db2.gz CUXVEIVKGWGPJB-IXDOHACOSA-N 1 1 346.431 0.866 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3C3CCCC3)[C@@H]2C1 ZINC000978625327 746520486 /nfs/dbraw/zinc/52/04/86/746520486.db2.gz AWPDCFYFWODOGD-OKYOBFRVSA-N 1 1 345.487 0.947 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)c1 ZINC000978694784 746590389 /nfs/dbraw/zinc/59/03/89/746590389.db2.gz AUDWJQPIVOQBNE-JONQDZQNSA-N 1 1 326.400 0.234 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000978709733 746610664 /nfs/dbraw/zinc/61/06/64/746610664.db2.gz MKNANRAZNAAGCQ-ITGHMWBKSA-N 1 1 325.840 0.935 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1 ZINC001001701518 746616196 /nfs/dbraw/zinc/61/61/96/746616196.db2.gz YQOIXSUEYSLAMJ-VDERGJSUSA-N 1 1 341.415 0.842 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC000978715350 746629194 /nfs/dbraw/zinc/62/91/94/746629194.db2.gz HZVUMSYJFXVNQU-SUJAAXHWSA-N 1 1 331.420 0.200 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC000978715350 746629196 /nfs/dbraw/zinc/62/91/96/746629196.db2.gz HZVUMSYJFXVNQU-SUJAAXHWSA-N 1 1 331.420 0.200 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087924623 746668487 /nfs/dbraw/zinc/66/84/87/746668487.db2.gz BIXNWJWFPGFHKB-VNHYZAJKSA-N 1 1 329.404 0.544 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000978743211 746670038 /nfs/dbraw/zinc/67/00/38/746670038.db2.gz KTZJNZXEYZMBAD-KCQAQPDRSA-N 1 1 343.431 0.853 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CC[NH+](Cc3cnnn3C)CC2)c1 ZINC001001812064 746740166 /nfs/dbraw/zinc/74/01/66/746740166.db2.gz BEPDCLRZGNRIPZ-UHFFFAOYSA-N 1 1 338.415 0.833 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ncccn4)C[C@H]32)nn1 ZINC000978816306 746742665 /nfs/dbraw/zinc/74/26/65/746742665.db2.gz MOUFVDUOJMRTEK-ZSOGYDGISA-N 1 1 339.403 0.362 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ncccn4)C[C@H]32)nn1 ZINC000978816306 746742669 /nfs/dbraw/zinc/74/26/69/746742669.db2.gz MOUFVDUOJMRTEK-ZSOGYDGISA-N 1 1 339.403 0.362 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1=O ZINC001087962042 746747249 /nfs/dbraw/zinc/74/72/49/746747249.db2.gz VJCKCTWJWQXVMK-SQNIBIBYSA-N 1 1 341.455 0.967 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c(C#N)cn1 ZINC001059414415 746762550 /nfs/dbraw/zinc/76/25/50/746762550.db2.gz JECVHPLOWDMJTO-MPESAESLSA-N 1 1 327.432 0.940 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)COc2ccc(C(N)=O)cc2)C1 ZINC001027685151 746814493 /nfs/dbraw/zinc/81/44/93/746814493.db2.gz ISJJPMPNRCLIAV-OAHLLOKOSA-N 1 1 329.400 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC000978909795 746880819 /nfs/dbraw/zinc/88/08/19/746880819.db2.gz ZDAIDDDYLVEDAW-IMJJTQAJSA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC000978909795 746880827 /nfs/dbraw/zinc/88/08/27/746880827.db2.gz ZDAIDDDYLVEDAW-IMJJTQAJSA-N 1 1 328.416 0.737 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C[C@H]3CCc4ncnn43)C2)[nH]1 ZINC001007151143 752130610 /nfs/dbraw/zinc/13/06/10/752130610.db2.gz JSVRITHFKBSBOG-ZIAGYGMSSA-N 1 1 339.403 0.860 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001059427568 746893647 /nfs/dbraw/zinc/89/36/47/746893647.db2.gz NWIAQQWZLJYSEU-ZFWWWQNUSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccsn2)C1 ZINC000978951558 746943905 /nfs/dbraw/zinc/94/39/05/746943905.db2.gz AOGWYAMSLNOJIT-GUTXKFCHSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccsn2)C1 ZINC000978951558 746943907 /nfs/dbraw/zinc/94/39/07/746943907.db2.gz AOGWYAMSLNOJIT-GUTXKFCHSA-N 1 1 346.456 0.865 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)c[nH]1 ZINC001007157060 752139113 /nfs/dbraw/zinc/13/91/13/752139113.db2.gz RFRRSLFXZYPXOU-ZFWWWQNUSA-N 1 1 343.431 0.997 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)nc1 ZINC000978981392 746991253 /nfs/dbraw/zinc/99/12/53/746991253.db2.gz CXTLAKNBYACYHN-QKDCVEJESA-N 1 1 326.400 0.059 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001002151030 747030419 /nfs/dbraw/zinc/03/04/19/747030419.db2.gz XGWFPSVJIKDMJJ-IKGGRYGDSA-N 1 1 349.475 0.884 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC001002235093 747110735 /nfs/dbraw/zinc/11/07/35/747110735.db2.gz LFGPOBUIKPSBAJ-BXUZGUMPSA-N 1 1 329.404 0.415 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN(C(=O)CCC)C3)[C@@H]2C1 ZINC000979091336 747160395 /nfs/dbraw/zinc/16/03/95/747160395.db2.gz RHNUQGNQUZRRQT-VQHPVUNQSA-N 1 1 331.460 0.952 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(=O)C(C)C)[C@@H]2C1 ZINC000979107683 747190125 /nfs/dbraw/zinc/19/01/25/747190125.db2.gz WQXHPDTUZLUCMQ-WCXIOVBPSA-N 1 1 331.460 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cccnn2)C1 ZINC000979186632 747308545 /nfs/dbraw/zinc/30/85/45/747308545.db2.gz CGSURCCVUYFEJF-LZWOXQAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cccnn2)C1 ZINC000979186632 747308552 /nfs/dbraw/zinc/30/85/52/747308552.db2.gz CGSURCCVUYFEJF-LZWOXQAQSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)c3cc(C)[nH]n3)C2)CC1 ZINC001002473272 747401475 /nfs/dbraw/zinc/40/14/75/747401475.db2.gz KZIUEGDTRQKXBT-UHFFFAOYSA-N 1 1 343.431 0.252 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nnc4c3CCCC4)C[C@@H]2C1 ZINC001088109781 747404176 /nfs/dbraw/zinc/40/41/76/747404176.db2.gz YNHYNYSCPPKRSF-CABCVRRESA-N 1 1 327.432 0.570 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088112677 747412095 /nfs/dbraw/zinc/41/20/95/747412095.db2.gz RVSQEIAHBRGSGR-WTTBNOFXSA-N 1 1 347.459 0.636 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]2C1 ZINC001088115506 747422733 /nfs/dbraw/zinc/42/27/33/747422733.db2.gz WEJBQNJVGNKULI-CABCVRRESA-N 1 1 342.443 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C[C@@H]2C1 ZINC001088137827 747475815 /nfs/dbraw/zinc/47/58/15/747475815.db2.gz GEOTUJWRZOOSIE-ZJPYXAASSA-N 1 1 342.443 0.702 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNCc3ncccn3)C2)CC1 ZINC000985155313 747479930 /nfs/dbraw/zinc/47/99/30/747479930.db2.gz VBIHFDPYZLIRLW-JCNLHEQBSA-N 1 1 341.459 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)OCC1CC1 ZINC001075840751 747495839 /nfs/dbraw/zinc/49/58/39/747495839.db2.gz ZYIYPIBFPFOMBQ-UXLLHSPISA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)OCC1CC1 ZINC001075840751 747495841 /nfs/dbraw/zinc/49/58/41/747495841.db2.gz ZYIYPIBFPFOMBQ-UXLLHSPISA-N 1 1 349.475 0.910 20 30 ECEDMO C[C@H]([NH2+]Cc1ncccn1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979290486 747521434 /nfs/dbraw/zinc/52/14/34/747521434.db2.gz ILQHVQWSLPNLDS-WFASDCNBSA-N 1 1 340.387 0.696 20 30 ECEDMO CCn1cc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 ZINC000979296371 747561310 /nfs/dbraw/zinc/56/13/10/747561310.db2.gz CSUAVYHNBBBOSF-CJNGLKHVSA-N 1 1 331.420 0.417 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCCO3)CC2)C1=O ZINC000985246101 747594487 /nfs/dbraw/zinc/59/44/87/747594487.db2.gz OMKNIIPENOFLAV-JKSUJKDBSA-N 1 1 335.448 0.875 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cn[nH]c1 ZINC001002637383 747600112 /nfs/dbraw/zinc/60/01/12/747600112.db2.gz HVKBUZNATOTSSE-CVEARBPZSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cn[nH]c1 ZINC001002637383 747600118 /nfs/dbraw/zinc/60/01/18/747600118.db2.gz HVKBUZNATOTSSE-CVEARBPZSA-N 1 1 343.431 0.570 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCNC(=O)C3)C[C@@]2(C)C1 ZINC000982432622 752195175 /nfs/dbraw/zinc/19/51/75/752195175.db2.gz PDVBRDSMLKICCB-HDICACEKSA-N 1 1 334.464 0.165 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001002641490 747605405 /nfs/dbraw/zinc/60/54/05/747605405.db2.gz HIINSOCWKCWMMU-SFHVURJKSA-N 1 1 342.443 0.969 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000979331392 747654470 /nfs/dbraw/zinc/65/44/70/747654470.db2.gz PDACGPRYXMLNGQ-SIRPWMCASA-N 1 1 349.475 0.930 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC)CC[C@@H]3C2)cn1 ZINC001088175377 747677629 /nfs/dbraw/zinc/67/76/29/747677629.db2.gz SSSOWAACYJQUTR-CABCVRRESA-N 1 1 326.400 0.203 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC001088190573 747702084 /nfs/dbraw/zinc/70/20/84/747702084.db2.gz GEMOCRLCGIWGPY-KGLIPLIRSA-N 1 1 346.431 0.120 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@@H]2C1 ZINC001088206517 747738751 /nfs/dbraw/zinc/73/87/51/747738751.db2.gz UAPGZFAGYDFXBS-IKGGRYGDSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(OC)ncnc3OC)C[C@@H]2C1 ZINC001088220908 747766602 /nfs/dbraw/zinc/76/66/02/747766602.db2.gz AZSXUKJVVABLDW-OLZOCXBDSA-N 1 1 330.388 0.521 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC001088230332 747782641 /nfs/dbraw/zinc/78/26/41/747782641.db2.gz NEHIHJYKVZIMQA-GOSISDBHSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3ccnn3C)CC2)C1 ZINC001088230326 747782946 /nfs/dbraw/zinc/78/29/46/747782946.db2.gz NCPIZJZTCVOVCS-INIZCTEOSA-N 1 1 330.432 0.996 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985380702 747838989 /nfs/dbraw/zinc/83/89/89/747838989.db2.gz NNFOPMSMCNPZAG-NSHDSACASA-N 1 1 342.407 0.707 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985380702 747838999 /nfs/dbraw/zinc/83/89/99/747838999.db2.gz NNFOPMSMCNPZAG-NSHDSACASA-N 1 1 342.407 0.707 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)COC2CCCC2)C1 ZINC001002828727 747844331 /nfs/dbraw/zinc/84/43/31/747844331.db2.gz FVKLTFZLTHKVTO-KRWDZBQOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)COC2CCCC2)C1 ZINC001002828727 747844340 /nfs/dbraw/zinc/84/43/40/747844340.db2.gz FVKLTFZLTHKVTO-KRWDZBQOSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(F)nc2)C1 ZINC001002830888 747849197 /nfs/dbraw/zinc/84/91/97/747849197.db2.gz XNUKAZBRPUEKJV-HNNXBMFYSA-N 1 1 344.390 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(F)nc2)C1 ZINC001002830888 747849207 /nfs/dbraw/zinc/84/92/07/747849207.db2.gz XNUKAZBRPUEKJV-HNNXBMFYSA-N 1 1 344.390 0.507 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC001088239847 747933633 /nfs/dbraw/zinc/93/36/33/747933633.db2.gz IHRAQHXFZVPVKT-INIZCTEOSA-N 1 1 348.451 0.579 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC001088240255 747943902 /nfs/dbraw/zinc/94/39/02/747943902.db2.gz SXLQYJMCSFLEFB-INIZCTEOSA-N 1 1 346.435 0.026 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC001002940383 747985437 /nfs/dbraw/zinc/98/54/37/747985437.db2.gz SHQIQIDUEFJJLV-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC001002940383 747985441 /nfs/dbraw/zinc/98/54/41/747985441.db2.gz SHQIQIDUEFJJLV-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cc[nH]n3)C2)C1=O ZINC001029658708 747991794 /nfs/dbraw/zinc/99/17/94/747991794.db2.gz XMTVRLZALBIISH-HIFRSBDPSA-N 1 1 331.420 0.591 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001029658708 747991798 /nfs/dbraw/zinc/99/17/98/747991798.db2.gz XMTVRLZALBIISH-HIFRSBDPSA-N 1 1 331.420 0.591 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001029658708 747991803 /nfs/dbraw/zinc/99/18/03/747991803.db2.gz XMTVRLZALBIISH-HIFRSBDPSA-N 1 1 331.420 0.591 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCCC2=O)c1 ZINC001027814317 747992786 /nfs/dbraw/zinc/99/27/86/747992786.db2.gz LOUGBQQRLMVKPB-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027813322 748001072 /nfs/dbraw/zinc/00/10/72/748001072.db2.gz RELFUWJOWZTXEQ-HOCLYGCPSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001027813322 748001076 /nfs/dbraw/zinc/00/10/76/748001076.db2.gz RELFUWJOWZTXEQ-HOCLYGCPSA-N 1 1 341.415 0.867 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2C[C@H]2CCc3ncnn32)c1 ZINC001027815636 748026092 /nfs/dbraw/zinc/02/60/92/748026092.db2.gz YKCSNLVXDPVMQR-UONOGXRCSA-N 1 1 339.403 0.860 20 30 ECEDMO C[N@@H+](C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@H]1CCC(=O)NC1=O ZINC001029690955 748072886 /nfs/dbraw/zinc/07/28/86/748072886.db2.gz LAVLMYISJLSFAB-RISCZKNCSA-N 1 1 343.387 0.085 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001003037322 748105520 /nfs/dbraw/zinc/10/55/20/748105520.db2.gz XFDHIFIRLOBVIB-HNNXBMFYSA-N 1 1 329.404 0.559 20 30 ECEDMO Cn1nncc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029707660 748109677 /nfs/dbraw/zinc/10/96/77/748109677.db2.gz DNWWWXGOVNNMDZ-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO Cn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001029708289 748111311 /nfs/dbraw/zinc/11/13/11/748111311.db2.gz NSLCDYJHQUQFOQ-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001029708289 748111314 /nfs/dbraw/zinc/11/13/14/748111314.db2.gz NSLCDYJHQUQFOQ-LBPRGKRZSA-N 1 1 327.392 0.609 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cncnc3)C2)C1=O ZINC001029714274 748128707 /nfs/dbraw/zinc/12/87/07/748128707.db2.gz ZZHHSNRYXAPBNJ-GOEBONIOSA-N 1 1 343.431 0.657 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ncc[nH]3)C2)C1=O ZINC001029733531 748176223 /nfs/dbraw/zinc/17/62/23/748176223.db2.gz JLXYSSVWYHJPSJ-ZIAGYGMSSA-N 1 1 331.420 0.591 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ncc[nH]3)C2)C1=O ZINC001029733529 748176250 /nfs/dbraw/zinc/17/62/50/748176250.db2.gz JLXYSSVWYHJPSJ-UONOGXRCSA-N 1 1 331.420 0.591 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C[C@H]1CCS(=O)(=O)C1 ZINC001029733527 748176426 /nfs/dbraw/zinc/17/64/26/748176426.db2.gz LOYADCBZTPAJIN-JKSUJKDBSA-N 1 1 338.473 0.615 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000979665018 748185439 /nfs/dbraw/zinc/18/54/39/748185439.db2.gz OSLJSPRMOOAOBA-YRGRVCCFSA-N 1 1 329.404 0.463 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(C)ncn2)C1=O ZINC001027828279 748226499 /nfs/dbraw/zinc/22/64/99/748226499.db2.gz IPXNDBFNCFSUJT-GDBMZVCRSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C)ncn2)C1=O ZINC001027828279 748226504 /nfs/dbraw/zinc/22/65/04/748226504.db2.gz IPXNDBFNCFSUJT-GDBMZVCRSA-N 1 1 343.431 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nncn2C)C1 ZINC001029758475 748272462 /nfs/dbraw/zinc/27/24/62/748272462.db2.gz ZBIRNVICCCQWGC-CVEARBPZSA-N 1 1 344.463 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nncn2C)C1 ZINC001029758475 748272466 /nfs/dbraw/zinc/27/24/66/748272466.db2.gz ZBIRNVICCCQWGC-CVEARBPZSA-N 1 1 344.463 0.193 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027831590 748283354 /nfs/dbraw/zinc/28/33/54/748283354.db2.gz RWTSYRRZCLLQAH-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027834233 748335794 /nfs/dbraw/zinc/33/57/94/748335794.db2.gz WMSHMCXUFAYVSB-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027834233 748335800 /nfs/dbraw/zinc/33/58/00/748335800.db2.gz WMSHMCXUFAYVSB-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)C2=CCOCC2)C1=O ZINC001027841273 748457378 /nfs/dbraw/zinc/45/73/78/748457378.db2.gz ZXZJRXNYGLKCHF-JKSUJKDBSA-N 1 1 333.432 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3n[nH]nc3C)C2)C1=O ZINC001029799503 748465432 /nfs/dbraw/zinc/46/54/32/748465432.db2.gz YRDXLJKXGKFGPZ-ZIAGYGMSSA-N 1 1 346.435 0.294 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001029799503 748465441 /nfs/dbraw/zinc/46/54/41/748465441.db2.gz YRDXLJKXGKFGPZ-ZIAGYGMSSA-N 1 1 346.435 0.294 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)s1 ZINC001003427256 748543550 /nfs/dbraw/zinc/54/35/50/748543550.db2.gz KGIBQDOMMMDNHC-CQSZACIVSA-N 1 1 332.429 0.836 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001003467668 748585157 /nfs/dbraw/zinc/58/51/57/748585157.db2.gz IOCFNJHHYORYPB-CQSZACIVSA-N 1 1 340.427 0.593 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc1 ZINC001003468405 748585835 /nfs/dbraw/zinc/58/58/35/748585835.db2.gz QVWBIHFTYMREMR-AWEZNQCLSA-N 1 1 340.427 0.593 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCCCOC ZINC001075868893 748717633 /nfs/dbraw/zinc/71/76/33/748717633.db2.gz UTEWCVHHQVPGLG-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCCCOC ZINC001075868893 748717636 /nfs/dbraw/zinc/71/76/36/748717636.db2.gz UTEWCVHHQVPGLG-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCCCC[C@H](NCC#N)C1 ZINC001088326162 748729505 /nfs/dbraw/zinc/72/95/05/748729505.db2.gz ISNXLYQVYCMKCA-HOTGVXAUSA-N 1 1 332.452 0.698 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001003640737 748752532 /nfs/dbraw/zinc/75/25/32/748752532.db2.gz QETYCGMMQHTKRL-SJORKVTESA-N 1 1 343.402 0.879 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC000979983185 748777654 /nfs/dbraw/zinc/77/76/54/748777654.db2.gz TXXVSDVOQJNBCJ-ULQDDVLXSA-N 1 1 346.475 0.000 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059610703 748797728 /nfs/dbraw/zinc/79/77/28/748797728.db2.gz LAIWJRYCMVAMQW-CVEARBPZSA-N 1 1 335.448 0.331 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059610703 748797729 /nfs/dbraw/zinc/79/77/29/748797729.db2.gz LAIWJRYCMVAMQW-CVEARBPZSA-N 1 1 335.448 0.331 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nonc3C)C2)nn1 ZINC001029860728 748971731 /nfs/dbraw/zinc/97/17/31/748971731.db2.gz VAKIDPUCIVSVFY-ZDUSSCGKSA-N 1 1 345.407 0.750 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nonc3C)C2)nn1 ZINC001029860728 748971733 /nfs/dbraw/zinc/97/17/33/748971733.db2.gz VAKIDPUCIVSVFY-ZDUSSCGKSA-N 1 1 345.407 0.750 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)[C@H]3CCCNC3=O)CC2)nc1 ZINC000985760608 749031575 /nfs/dbraw/zinc/03/15/75/749031575.db2.gz WCGDBYZDLGDMRS-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cnon3)C2)nn1 ZINC001029862957 749043257 /nfs/dbraw/zinc/04/32/57/749043257.db2.gz CMQZGOPAYKQKFH-CYBMUJFWSA-N 1 1 345.407 0.831 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cnon3)C2)nn1 ZINC001029862957 749043260 /nfs/dbraw/zinc/04/32/60/749043260.db2.gz CMQZGOPAYKQKFH-CYBMUJFWSA-N 1 1 345.407 0.831 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3C2)cc1 ZINC000980148609 749069916 /nfs/dbraw/zinc/06/99/16/749069916.db2.gz AFWLOSPCJNJYSF-GVDBMIGSSA-N 1 1 325.412 0.984 20 30 ECEDMO C#CCNCc1cn([C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)nn1 ZINC001098732843 749073174 /nfs/dbraw/zinc/07/31/74/749073174.db2.gz AAGXWWUXANDKBT-MRXNPFEDSA-N 1 1 346.479 0.752 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@@H]3C2)c(F)c1 ZINC000980160249 749090786 /nfs/dbraw/zinc/09/07/86/749090786.db2.gz GSQVPCKCSYKVQX-CFVMTHIKSA-N 1 1 344.390 0.899 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC000985798807 749126160 /nfs/dbraw/zinc/12/61/60/749126160.db2.gz GJTRDXBCTUQEGI-HNNXBMFYSA-N 1 1 343.855 0.909 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1nc(C)cc(C#N)n1 ZINC001126255641 749151707 /nfs/dbraw/zinc/15/17/07/749151707.db2.gz ZUAAIXGENNCZMQ-OAHLLOKOSA-N 1 1 346.435 0.320 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C[C@H]3C[C@@H]3C)CC2)CC1 ZINC000985826823 749186616 /nfs/dbraw/zinc/18/66/16/749186616.db2.gz GIHOYLXYEGDNBQ-DLBZAZTESA-N 1 1 346.475 0.938 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)n3C)C[C@@H]2C1 ZINC000980257296 749264492 /nfs/dbraw/zinc/26/44/92/749264492.db2.gz SZVQBRASBNRSGK-ZNMIVQPWSA-N 1 1 330.432 0.577 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC000980313893 749353393 /nfs/dbraw/zinc/35/33/93/749353393.db2.gz VAHIANVPUGEZAI-LSDHHAIUSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnccn3)[C@H]2C)C1=O ZINC001088451698 749372474 /nfs/dbraw/zinc/37/24/74/749372474.db2.gz YEERSBVQFWREFJ-VNHYZAJKSA-N 1 1 329.404 0.456 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnccn3)[C@H]2C)C1=O ZINC001088451698 749372480 /nfs/dbraw/zinc/37/24/80/749372480.db2.gz YEERSBVQFWREFJ-VNHYZAJKSA-N 1 1 329.404 0.456 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](CCNC(=O)CSCC#N)C1 ZINC001059680077 749411424 /nfs/dbraw/zinc/41/14/24/749411424.db2.gz XMWYBUFKCAKRAR-AWEZNQCLSA-N 1 1 349.460 0.803 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@@H+]2Cc2nnn(C)n2)CC1 ZINC001004398450 749465774 /nfs/dbraw/zinc/46/57/74/749465774.db2.gz SXENJTWZMWHFGA-JSGCOSHPSA-N 1 1 331.424 0.573 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@H+]2Cc2nnn(C)n2)CC1 ZINC001004398450 749465777 /nfs/dbraw/zinc/46/57/77/749465777.db2.gz SXENJTWZMWHFGA-JSGCOSHPSA-N 1 1 331.424 0.573 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](CC)NC(C)=O)C2)nn1 ZINC001098740346 749483378 /nfs/dbraw/zinc/48/33/78/749483378.db2.gz PNWSBDNVQDOGKK-JKSUJKDBSA-N 1 1 348.451 0.632 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC001004456092 749521722 /nfs/dbraw/zinc/52/17/22/749521722.db2.gz LNLYLKGTGGNDDT-SUMWQHHRSA-N 1 1 340.427 0.449 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001004478735 749549459 /nfs/dbraw/zinc/54/94/59/749549459.db2.gz XSSWWJXHYUQLEK-HOTGVXAUSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(CC)n[nH]3)[C@H]2C)C1=O ZINC001088476148 749575384 /nfs/dbraw/zinc/57/53/84/749575384.db2.gz BNJHSXFNNSPLCQ-INWMFGNUSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(CC)n[nH]3)[C@H]2C)C1=O ZINC001088476148 749575389 /nfs/dbraw/zinc/57/53/89/749575389.db2.gz BNJHSXFNNSPLCQ-INWMFGNUSA-N 1 1 345.447 0.952 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3nonc3C)C2)C1=O ZINC001029914686 749588923 /nfs/dbraw/zinc/58/89/23/749588923.db2.gz AVFXNABDPZQRMW-UONOGXRCSA-N 1 1 347.419 0.559 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)n1 ZINC000986132929 749601003 /nfs/dbraw/zinc/60/10/03/749601003.db2.gz LQADUADYJKEKOG-BXUZGUMPSA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)[C@@H]3CCCNC3=O)C2)CC1 ZINC000980477353 749630075 /nfs/dbraw/zinc/63/00/75/749630075.db2.gz FFRZQBFIVVJDEE-DLBZAZTESA-N 1 1 346.475 0.143 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)nn1 ZINC000986181532 749639922 /nfs/dbraw/zinc/63/99/22/749639922.db2.gz GSPCBMKOHYLKPL-ABAIWWIYSA-N 1 1 327.392 0.891 20 30 ECEDMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000980480242 749642188 /nfs/dbraw/zinc/64/21/88/749642188.db2.gz INOCEUKGVVDKEB-ZYHUDNBSSA-N 1 1 328.380 0.050 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001004585173 749656839 /nfs/dbraw/zinc/65/68/39/749656839.db2.gz XRFKBDMGDIDCFC-HNNXBMFYSA-N 1 1 346.431 0.265 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cc(OC)no1 ZINC001027942618 749666881 /nfs/dbraw/zinc/66/68/81/749666881.db2.gz FIBDBVWMBFOZQF-ZBFHGGJFSA-N 1 1 346.431 0.861 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cc(OC)no1 ZINC001027942618 749666888 /nfs/dbraw/zinc/66/68/88/749666888.db2.gz FIBDBVWMBFOZQF-ZBFHGGJFSA-N 1 1 346.431 0.861 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncoc3C)[C@H]2C)C1=O ZINC001088486400 749668783 /nfs/dbraw/zinc/66/87/83/749668783.db2.gz JAIMOWXUAQHFNB-XBFCOCLRSA-N 1 1 332.404 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncoc3C)[C@H]2C)C1=O ZINC001088486400 749668787 /nfs/dbraw/zinc/66/87/87/749668787.db2.gz JAIMOWXUAQHFNB-XBFCOCLRSA-N 1 1 332.404 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nc(C)no1 ZINC001027943061 749672395 /nfs/dbraw/zinc/67/23/95/749672395.db2.gz JNLRBSSVCNRBQH-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nc(C)no1 ZINC001027943061 749672398 /nfs/dbraw/zinc/67/23/98/749672398.db2.gz JNLRBSSVCNRBQH-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nccc(C)n1 ZINC001027944331 749679143 /nfs/dbraw/zinc/67/91/43/749679143.db2.gz VKFHMTHPWXAZNQ-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nccc(C)n1 ZINC001027944331 749679147 /nfs/dbraw/zinc/67/91/47/749679147.db2.gz VKFHMTHPWXAZNQ-IRXDYDNUSA-N 1 1 341.459 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnn3C)[C@H]2C)C1=O ZINC001088489707 749686883 /nfs/dbraw/zinc/68/68/83/749686883.db2.gz MWYZGPYZOQAWQW-IPYPFGDCSA-N 1 1 331.420 0.400 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnn3C)[C@H]2C)C1=O ZINC001088489707 749686886 /nfs/dbraw/zinc/68/68/86/749686886.db2.gz MWYZGPYZOQAWQW-IPYPFGDCSA-N 1 1 331.420 0.400 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)no1 ZINC000980575398 749802413 /nfs/dbraw/zinc/80/24/13/749802413.db2.gz OFVYHYWLOIJUIV-UKRRQHHQSA-N 1 1 346.431 0.999 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001078251577 782559403 /nfs/dbraw/zinc/55/94/03/782559403.db2.gz SSNYZIUTCJACDL-HUUCEWRRSA-N 1 1 332.404 0.789 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001059722662 749981164 /nfs/dbraw/zinc/98/11/64/749981164.db2.gz WWGPDCRYSLMHED-MJBXVCDLSA-N 1 1 328.420 0.702 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001027969787 750058190 /nfs/dbraw/zinc/05/81/90/750058190.db2.gz VUYXBJFNPFTYBM-XQQFMLRXSA-N 1 1 334.338 0.937 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3cc[nH]n3)[C@H]2C)C1=O ZINC001088502568 750062644 /nfs/dbraw/zinc/06/26/44/750062644.db2.gz PPOTZNHDIFLYGR-SNPRPXQTSA-N 1 1 331.420 0.318 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc[nH]n3)[C@H]2C)C1=O ZINC001088502568 750062648 /nfs/dbraw/zinc/06/26/48/750062648.db2.gz PPOTZNHDIFLYGR-SNPRPXQTSA-N 1 1 331.420 0.318 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1)[C@@H]1CCNC1=O ZINC001029958129 750080471 /nfs/dbraw/zinc/08/04/71/750080471.db2.gz KJXPKUVGYXXCJB-OAHLLOKOSA-N 1 1 329.404 0.559 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001098635952 750202497 /nfs/dbraw/zinc/20/24/97/750202497.db2.gz ANYMHBAMAGLASZ-UONOGXRCSA-N 1 1 330.436 0.951 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001058857603 750354818 /nfs/dbraw/zinc/35/48/18/750354818.db2.gz TVLJEQVMDAXXRW-JSGCOSHPSA-N 1 1 333.367 0.436 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001058857603 750354822 /nfs/dbraw/zinc/35/48/22/750354822.db2.gz TVLJEQVMDAXXRW-JSGCOSHPSA-N 1 1 333.367 0.436 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]nc2C)C1=O ZINC001028061864 750443261 /nfs/dbraw/zinc/44/32/61/750443261.db2.gz GTKMBEAUNNHOBD-HIFRSBDPSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]nc2C)C1=O ZINC001028061864 750443265 /nfs/dbraw/zinc/44/32/65/750443265.db2.gz GTKMBEAUNNHOBD-HIFRSBDPSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C(C)C)nn3)C2)nn1 ZINC001105351653 750464615 /nfs/dbraw/zinc/46/46/15/750464615.db2.gz DYXORZQXIBWDPX-UHFFFAOYSA-N 1 1 330.396 0.423 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001028068947 750470806 /nfs/dbraw/zinc/47/08/06/750470806.db2.gz YZXJPNDVIRKIFI-QWHCGFSZSA-N 1 1 332.408 0.094 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001028068947 750470810 /nfs/dbraw/zinc/47/08/10/750470810.db2.gz YZXJPNDVIRKIFI-QWHCGFSZSA-N 1 1 332.408 0.094 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc(OC)n3)C2)nn1 ZINC001105354122 750480242 /nfs/dbraw/zinc/48/02/42/750480242.db2.gz BJTRCRUBOHPWFR-UHFFFAOYSA-N 1 1 328.376 0.654 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)c1 ZINC001028073113 750488130 /nfs/dbraw/zinc/48/81/30/750488130.db2.gz QTASYRTWKYLNGR-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)n3)[C@H]2C)nn1 ZINC000987169982 750543952 /nfs/dbraw/zinc/54/39/52/750543952.db2.gz RNFJVLSCWFEOAP-TZMCWYRMSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3cnc(C)o3)CC2)C1=O ZINC000981319525 750576029 /nfs/dbraw/zinc/57/60/29/750576029.db2.gz MJWWJWADTMAASJ-INIZCTEOSA-N 1 1 346.431 0.847 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3cnc(C)o3)CC2)C1=O ZINC000981319525 750576035 /nfs/dbraw/zinc/57/60/35/750576035.db2.gz MJWWJWADTMAASJ-INIZCTEOSA-N 1 1 346.431 0.847 20 30 ECEDMO C=CCC[N@@H+]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000981474812 750729454 /nfs/dbraw/zinc/72/94/54/750729454.db2.gz YGXZQJKWZAHZCF-UHFFFAOYSA-N 1 1 327.406 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001059792899 750732227 /nfs/dbraw/zinc/73/22/27/750732227.db2.gz IHDWDFZKCGERJO-YESZJQIVSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001059792899 750732229 /nfs/dbraw/zinc/73/22/29/750732229.db2.gz IHDWDFZKCGERJO-YESZJQIVSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001005925247 750807494 /nfs/dbraw/zinc/80/74/94/750807494.db2.gz UPNMIALPPVEHOU-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001005929219 750812586 /nfs/dbraw/zinc/81/25/86/750812586.db2.gz UOYLDEWONRQYED-QWHCGFSZSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC000981583937 750837882 /nfs/dbraw/zinc/83/78/82/750837882.db2.gz MVCMLSAMKAAJQD-UHFFFAOYSA-N 1 1 332.404 0.061 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001005949568 750837827 /nfs/dbraw/zinc/83/78/27/750837827.db2.gz XKJCGHDBSVUZPC-HWWQOWPSSA-N 1 1 343.431 0.803 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)s1 ZINC001028110448 750910914 /nfs/dbraw/zinc/91/09/14/750910914.db2.gz RZMUPCCTDXXYCA-GWCFXTLKSA-N 1 1 333.417 0.382 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)s1 ZINC001028110448 750910919 /nfs/dbraw/zinc/91/09/19/750910919.db2.gz RZMUPCCTDXXYCA-GWCFXTLKSA-N 1 1 333.417 0.382 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1 ZINC001028110891 750924534 /nfs/dbraw/zinc/92/45/34/750924534.db2.gz UYTMDVUQUHBCRM-HUUCEWRRSA-N 1 1 327.388 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2conc2C)C1=O ZINC001028113317 750939826 /nfs/dbraw/zinc/93/98/26/750939826.db2.gz LCSYKXXUDTZSKG-DZGCQCFKSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2conc2C)C1=O ZINC001028113317 750939829 /nfs/dbraw/zinc/93/98/29/750939829.db2.gz LCSYKXXUDTZSKG-DZGCQCFKSA-N 1 1 332.404 0.964 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)N2CCC2)C3)c1 ZINC000981693449 750979481 /nfs/dbraw/zinc/97/94/81/750979481.db2.gz NATMESJCNRULCH-UHFFFAOYSA-N 1 1 341.415 0.657 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1=O ZINC000981694118 750979822 /nfs/dbraw/zinc/97/98/22/750979822.db2.gz BJCUULHAUUREBE-OAHLLOKOSA-N 1 1 341.415 0.655 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CCC[N@H+]([C@@H]2CCCNC2=O)C3)c1 ZINC000981694614 750980825 /nfs/dbraw/zinc/98/08/25/750980825.db2.gz IRNFIICNWMVVLC-OAHLLOKOSA-N 1 1 341.415 0.703 20 30 ECEDMO N#Cc1cc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H]2CCNC2=O)C3)c[nH]1 ZINC000981722346 751002091 /nfs/dbraw/zinc/00/20/91/751002091.db2.gz QHULWYNQGAABNJ-CQSZACIVSA-N 1 1 327.388 0.313 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H]2CCCNC2=O)C3)[nH]1 ZINC000981718479 751008775 /nfs/dbraw/zinc/00/87/75/751008775.db2.gz NWAKVNCADPGWHA-OAHLLOKOSA-N 1 1 341.415 0.703 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC000981719897 751009712 /nfs/dbraw/zinc/00/97/12/751009712.db2.gz IUIGUROKWOSXNO-UHFFFAOYSA-N 1 1 327.856 0.996 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC000981719897 751009719 /nfs/dbraw/zinc/00/97/19/751009719.db2.gz IUIGUROKWOSXNO-UHFFFAOYSA-N 1 1 327.856 0.996 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC[NH+](Cc3cncn3C)CC2)nn1 ZINC001006102521 751017256 /nfs/dbraw/zinc/01/72/56/751017256.db2.gz HMTVLCQORZTORC-UHFFFAOYSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001006103977 751018703 /nfs/dbraw/zinc/01/87/03/751018703.db2.gz IDMSAJFDLJBUKG-SWLSCSKDSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC000981740796 751034650 /nfs/dbraw/zinc/03/46/50/751034650.db2.gz DBHMSSVYQUZQAT-UHFFFAOYSA-N 1 1 336.436 0.675 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC000981740796 751034657 /nfs/dbraw/zinc/03/46/57/751034657.db2.gz DBHMSSVYQUZQAT-UHFFFAOYSA-N 1 1 336.436 0.675 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC001006128650 751051203 /nfs/dbraw/zinc/05/12/03/751051203.db2.gz RXFGMXMNAMIZAG-DZGCQCFKSA-N 1 1 340.427 0.591 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000987649188 751053737 /nfs/dbraw/zinc/05/37/37/751053737.db2.gz ZJZIZNKUYDFTBL-DOMZBBRYSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000987649123 751054289 /nfs/dbraw/zinc/05/42/89/751054289.db2.gz YVMJPJOYMQFYOK-ABAIWWIYSA-N 1 1 340.387 0.811 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCCCC(N)=O)C2)nn1 ZINC001105358076 751116960 /nfs/dbraw/zinc/11/69/60/751116960.db2.gz RWOHTXAMCHCCDX-UHFFFAOYSA-N 1 1 334.424 0.373 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC2(C1)CCCN(CC#N)C2 ZINC000981811901 751132585 /nfs/dbraw/zinc/13/25/85/751132585.db2.gz AVIXNEGWHGOPGH-OAHLLOKOSA-N 1 1 330.436 0.261 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)c1 ZINC001028127586 751143169 /nfs/dbraw/zinc/14/31/69/751143169.db2.gz WDXXSINMVCYJJD-CABCVRRESA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)c1 ZINC001028127586 751143171 /nfs/dbraw/zinc/14/31/71/751143171.db2.gz WDXXSINMVCYJJD-CABCVRRESA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)NC2CC2)c1 ZINC001028129729 751149943 /nfs/dbraw/zinc/14/99/43/751149943.db2.gz UWIYDIVQQUXKCH-GUYCJALGSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC2CC2)c1 ZINC001028129729 751149947 /nfs/dbraw/zinc/14/99/47/751149947.db2.gz UWIYDIVQQUXKCH-GUYCJALGSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(=O)n(CCOC)c3)C2)C1 ZINC000981867519 751219652 /nfs/dbraw/zinc/21/96/52/751219652.db2.gz GQBQXNBCYCBXKQ-UHFFFAOYSA-N 1 1 343.427 0.666 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2n[nH]cc2F)C1 ZINC001006314394 751233993 /nfs/dbraw/zinc/23/39/93/751233993.db2.gz LATIUBRVGKVWKF-RISCZKNCSA-N 1 1 347.394 0.223 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2n[nH]cc2F)C1 ZINC001006314394 751233998 /nfs/dbraw/zinc/23/39/98/751233998.db2.gz LATIUBRVGKVWKF-RISCZKNCSA-N 1 1 347.394 0.223 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cnccn2)C1 ZINC001006321863 751244046 /nfs/dbraw/zinc/24/40/46/751244046.db2.gz SIRSSDKMGWPJPQ-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cnccn2)C1 ZINC001006321863 751244048 /nfs/dbraw/zinc/24/40/48/751244048.db2.gz SIRSSDKMGWPJPQ-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cn[nH]c2)C1 ZINC001006322034 751244219 /nfs/dbraw/zinc/24/42/19/751244219.db2.gz UDVNOCYXKRUCSL-DOMZBBRYSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cn[nH]c2)C1 ZINC001006322034 751244222 /nfs/dbraw/zinc/24/42/22/751244222.db2.gz UDVNOCYXKRUCSL-DOMZBBRYSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ncc[nH]2)C1 ZINC001006322841 751244964 /nfs/dbraw/zinc/24/49/64/751244964.db2.gz WUFMAIWNHYWCHB-JSGCOSHPSA-N 1 1 329.404 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ncc[nH]2)C1 ZINC001006322841 751244969 /nfs/dbraw/zinc/24/49/69/751244969.db2.gz WUFMAIWNHYWCHB-JSGCOSHPSA-N 1 1 329.404 0.084 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)c3ccc(-n4cnnn4)cn3)C2)C1 ZINC000981913846 751271837 /nfs/dbraw/zinc/27/18/37/751271837.db2.gz AQNBXPRXGMAWKO-UHFFFAOYSA-N 1 1 339.403 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccc(=O)[nH]c2)C1=O ZINC001028299889 752323136 /nfs/dbraw/zinc/32/31/36/752323136.db2.gz LZAZFZGGBVJDAQ-LSDHHAIUSA-N 1 1 344.415 0.768 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000988610320 752370325 /nfs/dbraw/zinc/37/03/25/752370325.db2.gz FYWOPIONGSSELJ-SMDDNHRTSA-N 1 1 327.392 0.891 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988619554 752386907 /nfs/dbraw/zinc/38/69/07/752386907.db2.gz GBVAXNSCIGIJTM-BXUZGUMPSA-N 1 1 345.382 0.840 20 30 ECEDMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)o1 ZINC001083443680 752403235 /nfs/dbraw/zinc/40/32/35/752403235.db2.gz UKONJIVYHCLNFN-CABCVRRESA-N 1 1 341.371 0.154 20 30 ECEDMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)o1 ZINC001083443680 752403243 /nfs/dbraw/zinc/40/32/43/752403243.db2.gz UKONJIVYHCLNFN-CABCVRRESA-N 1 1 341.371 0.154 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1OC ZINC001212032076 752429385 /nfs/dbraw/zinc/42/93/85/752429385.db2.gz IUKPOHQGTJAJRC-KZNAEPCWSA-N 1 1 348.443 0.608 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1OC ZINC001212032170 752430534 /nfs/dbraw/zinc/43/05/34/752430534.db2.gz NMDYLSFZUJMSRW-ARFHVFGLSA-N 1 1 326.437 0.964 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nnc(C)[nH]2)C1 ZINC001007519273 752475695 /nfs/dbraw/zinc/47/56/95/752475695.db2.gz NDUXUXUKENIWRN-GJZGRUSLSA-N 1 1 330.436 0.291 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nnc(C)[nH]2)C1 ZINC001007519273 752475700 /nfs/dbraw/zinc/47/57/00/752475700.db2.gz NDUXUXUKENIWRN-GJZGRUSLSA-N 1 1 330.436 0.291 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001007549572 752514756 /nfs/dbraw/zinc/51/47/56/752514756.db2.gz AORSMIQXVTWXOM-OLZOCXBDSA-N 1 1 347.419 0.405 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001007549572 752514759 /nfs/dbraw/zinc/51/47/59/752514759.db2.gz AORSMIQXVTWXOM-OLZOCXBDSA-N 1 1 347.419 0.405 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](N[C@@H](C)c3nncn3C)C2)CC1 ZINC001021090578 752531080 /nfs/dbraw/zinc/53/10/80/752531080.db2.gz ZOHAXHZAYDKKMG-BPUTZDHNSA-N 1 1 344.463 0.458 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NCc3cc(C)n(C)n3)C2)CC1 ZINC001021092320 752532709 /nfs/dbraw/zinc/53/27/09/752532709.db2.gz KEKRNAGEWCOPRN-QAQDUYKDSA-N 1 1 343.475 0.811 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001007575886 752564539 /nfs/dbraw/zinc/56/45/39/752564539.db2.gz NTAPGYAQRJYMKQ-TZMCWYRMSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001007575886 752564545 /nfs/dbraw/zinc/56/45/45/752564545.db2.gz NTAPGYAQRJYMKQ-TZMCWYRMSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cnn(C)c3C)C2)C1=O ZINC001028408853 752567907 /nfs/dbraw/zinc/56/79/07/752567907.db2.gz LRPMGKPCSHUYBC-HOCLYGCPSA-N 1 1 345.447 0.567 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098678602 752606032 /nfs/dbraw/zinc/60/60/32/752606032.db2.gz JOKTZMPTTMYZMN-ZDUSSCGKSA-N 1 1 341.843 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nc(C)c[nH]2)[C@@H]1C ZINC000988733366 752628090 /nfs/dbraw/zinc/62/80/90/752628090.db2.gz BHOLFTGMCHKYND-ILXRZTDVSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nc(C)c[nH]2)[C@@H]1C ZINC000988733366 752628095 /nfs/dbraw/zinc/62/80/95/752628095.db2.gz BHOLFTGMCHKYND-ILXRZTDVSA-N 1 1 343.431 0.535 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C)nn3C)C2)C1=O ZINC001028433907 752629018 /nfs/dbraw/zinc/62/90/18/752629018.db2.gz YUUOKOKQZSRICE-LSDHHAIUSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C)nn3C)C2)C1=O ZINC001028433901 752629126 /nfs/dbraw/zinc/62/91/26/752629126.db2.gz YUUOKOKQZSRICE-CABCVRRESA-N 1 1 345.447 0.567 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001007612030 752635868 /nfs/dbraw/zinc/63/58/68/752635868.db2.gz RHRSZHJCNTWAQJ-QFBILLFUSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccnc2)[C@@H]1C ZINC000988738184 752640982 /nfs/dbraw/zinc/64/09/82/752640982.db2.gz LHCPANYNOTYHJN-PVAVHDDUSA-N 1 1 340.427 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccnc2)[C@@H]1C ZINC000988738184 752640987 /nfs/dbraw/zinc/64/09/87/752640987.db2.gz LHCPANYNOTYHJN-PVAVHDDUSA-N 1 1 340.427 0.898 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)c1 ZINC001021222018 752671431 /nfs/dbraw/zinc/67/14/31/752671431.db2.gz RKKNRHNDWGYIDE-HUORLRHWSA-N 1 1 341.415 0.890 20 30 ECEDMO N#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)[nH]1 ZINC001021227139 752676781 /nfs/dbraw/zinc/67/67/81/752676781.db2.gz LGQAPQTWJZKDSH-HUORLRHWSA-N 1 1 341.415 0.890 20 30 ECEDMO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CNC(C)=O ZINC001211773988 752695281 /nfs/dbraw/zinc/69/52/81/752695281.db2.gz HNMYILHSKWWFPB-HZPDHXFCSA-N 1 1 330.388 0.010 20 30 ECEDMO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CNC(C)=O ZINC001211773988 752695285 /nfs/dbraw/zinc/69/52/85/752695285.db2.gz HNMYILHSKWWFPB-HZPDHXFCSA-N 1 1 330.388 0.010 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ocnc3C)C2)C1=O ZINC001028464578 752752106 /nfs/dbraw/zinc/75/21/06/752752106.db2.gz WZLDUXHJPYPLRZ-UONOGXRCSA-N 1 1 332.404 0.822 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001028464810 752753142 /nfs/dbraw/zinc/75/31/42/752753142.db2.gz FSSMQTODORPZSI-STQMWFEESA-N 1 1 346.269 0.664 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001028464810 752753146 /nfs/dbraw/zinc/75/31/46/752753146.db2.gz FSSMQTODORPZSI-STQMWFEESA-N 1 1 346.269 0.664 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465777 752756115 /nfs/dbraw/zinc/75/61/15/752756115.db2.gz MZLKGNAUMGSNTA-MSOLQXFVSA-N 1 1 342.443 0.827 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)c1 ZINC001028471390 752774629 /nfs/dbraw/zinc/77/46/29/752774629.db2.gz XMXMTALZNZLGEV-CYBMUJFWSA-N 1 1 343.431 0.997 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)[nH]1 ZINC001028487163 752832680 /nfs/dbraw/zinc/83/26/80/752832680.db2.gz RMDZBMHXHZLSLY-KGLIPLIRSA-N 1 1 343.431 0.854 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000982547787 752862616 /nfs/dbraw/zinc/86/26/16/752862616.db2.gz RKBGZFRCXFZJPC-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn([C@H](C)COC)nc2C)[C@@H](O)C1 ZINC001083460307 752886308 /nfs/dbraw/zinc/88/63/08/752886308.db2.gz AFPHSZJFIDEGKN-WQVCFCJDSA-N 1 1 334.420 0.197 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001028508570 752983675 /nfs/dbraw/zinc/98/36/75/752983675.db2.gz UZNSUEJABCHURB-JTQLQIEISA-N 1 1 344.209 0.939 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001028508570 752983679 /nfs/dbraw/zinc/98/36/79/752983679.db2.gz UZNSUEJABCHURB-JTQLQIEISA-N 1 1 344.209 0.939 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)s1 ZINC001028519928 753046529 /nfs/dbraw/zinc/04/65/29/753046529.db2.gz WGKPQJILPMSAQG-GXFFZTMASA-N 1 1 334.401 0.666 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@]3(C)C[N@H+](C[C@@H](C)O)C[C@]3(C)C2)nn1 ZINC000982629688 753093409 /nfs/dbraw/zinc/09/34/09/753093409.db2.gz DZTHZMNBEMREJI-XYPHTWIQSA-N 1 1 333.436 0.629 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC000988971126 753094286 /nfs/dbraw/zinc/09/42/86/753094286.db2.gz ZJNYKYYGBXWPMF-QWHCGFSZSA-N 1 1 329.408 0.590 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1C ZINC001105845455 762185433 /nfs/dbraw/zinc/18/54/33/762185433.db2.gz KZQOFBSJXXNAKF-HZSPNIEDSA-N 1 1 347.463 0.961 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cnc(C)o3)[C@H]2C)C1=O ZINC001088619910 753110161 /nfs/dbraw/zinc/11/01/61/753110161.db2.gz JLYGOHFYFQFRCP-UHOFOFEASA-N 1 1 346.431 0.891 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cnc(C)o3)[C@H]2C)C1=O ZINC001088619910 753110164 /nfs/dbraw/zinc/11/01/64/753110164.db2.gz JLYGOHFYFQFRCP-UHOFOFEASA-N 1 1 346.431 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cocn2)C(C)(C)C1 ZINC001007951883 753120495 /nfs/dbraw/zinc/12/04/95/753120495.db2.gz NTGRBCKLRGYBOY-LSDHHAIUSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cocn2)C(C)(C)C1 ZINC001007951883 753120498 /nfs/dbraw/zinc/12/04/98/753120498.db2.gz NTGRBCKLRGYBOY-LSDHHAIUSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2cocn2)C(C)(C)C1 ZINC001007951882 753120511 /nfs/dbraw/zinc/12/05/11/753120511.db2.gz NTGRBCKLRGYBOY-GJZGRUSLSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NC(=O)c2cocn2)C(C)(C)C1 ZINC001007951882 753120514 /nfs/dbraw/zinc/12/05/14/753120514.db2.gz NTGRBCKLRGYBOY-GJZGRUSLSA-N 1 1 344.415 0.739 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000982648534 753210152 /nfs/dbraw/zinc/21/01/52/753210152.db2.gz OHMJOCXMHZFDJO-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3cnnn3)C[C@@]2(C)C1 ZINC000982670338 753275952 /nfs/dbraw/zinc/27/59/52/753275952.db2.gz FQTVQLQLTRNOGK-GASCZTMLSA-N 1 1 338.843 0.986 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cnnn3)C[C@@]2(C)C1 ZINC000982670338 753275957 /nfs/dbraw/zinc/27/59/57/753275957.db2.gz FQTVQLQLTRNOGK-GASCZTMLSA-N 1 1 338.843 0.986 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1C1CC1 ZINC001051495754 762209690 /nfs/dbraw/zinc/20/96/90/762209690.db2.gz XRWCDNWGOLUUMT-RISCZKNCSA-N 1 1 332.408 0.398 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4n[nH]nc4c3)C2)nn1 ZINC001105370962 753394910 /nfs/dbraw/zinc/39/49/10/753394910.db2.gz CMGNVXNLVMLTSL-UHFFFAOYSA-N 1 1 338.375 0.522 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2CC(F)F)C1 ZINC001051495927 762210668 /nfs/dbraw/zinc/21/06/68/762210668.db2.gz YXIILHAOCVGNOH-MNOVXSKESA-N 1 1 342.350 0.020 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000982780448 753547429 /nfs/dbraw/zinc/54/74/29/753547429.db2.gz DDDFTSJLVLAPIG-TZMCWYRMSA-N 1 1 329.404 0.416 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982783898 753550741 /nfs/dbraw/zinc/55/07/41/753550741.db2.gz YQLWMZQJKBSRCD-DOPJRALCSA-N 1 1 346.431 0.168 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001008311999 753589417 /nfs/dbraw/zinc/58/94/17/753589417.db2.gz VRJOHBQWTOKFSN-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001008311999 753589423 /nfs/dbraw/zinc/58/94/23/753589423.db2.gz VRJOHBQWTOKFSN-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)c1nnn(C)n1 ZINC000989307872 753599931 /nfs/dbraw/zinc/59/99/31/753599931.db2.gz LVNIGJMDTVNNLJ-IINYFYTJSA-N 1 1 343.366 0.614 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1C ZINC001088661626 753640724 /nfs/dbraw/zinc/64/07/24/753640724.db2.gz OBDWACUUQHTXBZ-OCCSQVGLSA-N 1 1 326.462 0.966 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1C ZINC001088661626 753640726 /nfs/dbraw/zinc/64/07/26/753640726.db2.gz OBDWACUUQHTXBZ-OCCSQVGLSA-N 1 1 326.462 0.966 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)nn1 ZINC001098682929 753686169 /nfs/dbraw/zinc/68/61/69/753686169.db2.gz KMRQQIYLKISNPO-CFVMTHIKSA-N 1 1 335.408 0.131 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083368657 753705048 /nfs/dbraw/zinc/70/50/48/753705048.db2.gz SQGIBRQJJRAOAT-ILXRZTDVSA-N 1 1 334.445 0.375 20 30 ECEDMO C=CCOCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098650062 753744164 /nfs/dbraw/zinc/74/41/64/753744164.db2.gz XZJKKCCBWNCCGJ-OAHLLOKOSA-N 1 1 337.424 0.116 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)c1 ZINC001083381555 753744266 /nfs/dbraw/zinc/74/42/66/753744266.db2.gz PYTVTRQSWRPMNE-CVEARBPZSA-N 1 1 325.372 0.185 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)c1 ZINC001083381555 753744271 /nfs/dbraw/zinc/74/42/71/753744271.db2.gz PYTVTRQSWRPMNE-CVEARBPZSA-N 1 1 325.372 0.185 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001028593797 753763661 /nfs/dbraw/zinc/76/36/61/753763661.db2.gz UJNARUWRJXKJDM-DZGCQCFKSA-N 1 1 344.415 0.531 20 30 ECEDMO C#CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685305 753765622 /nfs/dbraw/zinc/76/56/22/753765622.db2.gz FCXZCVNQNKGVAN-JKSUJKDBSA-N 1 1 330.436 0.259 20 30 ECEDMO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@]2(C)C1 ZINC000982818707 753850146 /nfs/dbraw/zinc/85/01/46/753850146.db2.gz BHHKIHMYRXWHDE-QRQLOZEOSA-N 1 1 333.476 0.901 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001105583172 753864135 /nfs/dbraw/zinc/86/41/35/753864135.db2.gz LNBPMAACRQQGEH-HOTGVXAUSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nccc(C)n2)C1 ZINC001028602120 753883929 /nfs/dbraw/zinc/88/39/29/753883929.db2.gz XGUKISQCMSOBJQ-SJORKVTESA-N 1 1 341.459 0.821 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nccc(C)n2)C1 ZINC001028602120 753883936 /nfs/dbraw/zinc/88/39/36/753883936.db2.gz XGUKISQCMSOBJQ-SJORKVTESA-N 1 1 341.459 0.821 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001008570548 753923343 /nfs/dbraw/zinc/92/33/43/753923343.db2.gz LBOPQGKVEKYDLJ-CVEARBPZSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ccc(C)n3)C2)C1=O ZINC001008570548 753923344 /nfs/dbraw/zinc/92/33/44/753923344.db2.gz LBOPQGKVEKYDLJ-CVEARBPZSA-N 1 1 345.447 0.559 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C(N)=O)cn3)C[C@@]2(C)C1 ZINC000982851437 753990984 /nfs/dbraw/zinc/99/09/84/753990984.db2.gz OQNABJNFGADAQN-KDURUIRLSA-N 1 1 340.427 0.988 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cnon3)C[C@H]2C)nn1 ZINC000989544772 754093713 /nfs/dbraw/zinc/09/37/13/754093713.db2.gz XFIFEFKJWLJFJL-VXGBXAGGSA-N 1 1 331.380 0.630 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001008791838 754122721 /nfs/dbraw/zinc/12/27/21/754122721.db2.gz ALNOSKPUCJSYDZ-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001008791838 754122725 /nfs/dbraw/zinc/12/27/25/754122725.db2.gz ALNOSKPUCJSYDZ-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001028638963 754134130 /nfs/dbraw/zinc/13/41/30/754134130.db2.gz PVQMYLSRCOCRCY-LLVKDONJSA-N 1 1 325.390 0.002 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 ZINC001105866763 762272036 /nfs/dbraw/zinc/27/20/36/762272036.db2.gz IYUQYUPWZVRVDY-AWEZNQCLSA-N 1 1 328.376 0.356 20 30 ECEDMO CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC001051524110 762275524 /nfs/dbraw/zinc/27/55/24/762275524.db2.gz QJMACYXDIKVTIA-CYBMUJFWSA-N 1 1 343.391 0.129 20 30 ECEDMO COc1cc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)on1 ZINC001051524759 762276633 /nfs/dbraw/zinc/27/66/33/762276633.db2.gz XDHUSENAEXCKIS-ZDUSSCGKSA-N 1 1 345.359 0.514 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2nocc2C)C1 ZINC000982919842 754195011 /nfs/dbraw/zinc/19/50/11/754195011.db2.gz AKOVTYRNVNKCOC-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2nocc2C)C1 ZINC000982919842 754195016 /nfs/dbraw/zinc/19/50/16/754195016.db2.gz AKOVTYRNVNKCOC-CABCVRRESA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2nccs2)C1 ZINC000982921253 754201465 /nfs/dbraw/zinc/20/14/65/754201465.db2.gz HVQOGCDQWPBWEG-KGLIPLIRSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2nccs2)C1 ZINC000982921253 754201471 /nfs/dbraw/zinc/20/14/71/754201471.db2.gz HVQOGCDQWPBWEG-KGLIPLIRSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC000982924174 754209289 /nfs/dbraw/zinc/20/92/89/754209289.db2.gz VSDRHSJEFLAAOU-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC000982924174 754209296 /nfs/dbraw/zinc/20/92/96/754209296.db2.gz VSDRHSJEFLAAOU-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC000982924156 754209551 /nfs/dbraw/zinc/20/95/51/754209551.db2.gz VMBXDLSBUGFZSZ-ZBFHGGJFSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC000982924156 754209556 /nfs/dbraw/zinc/20/95/56/754209556.db2.gz VMBXDLSBUGFZSZ-ZBFHGGJFSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](CCO)[C@@H](C)c2ccccc2)CC1 ZINC001168310234 754299492 /nfs/dbraw/zinc/29/94/92/754299492.db2.gz SHGULISLCGBNCJ-KRWDZBQOSA-N 1 1 329.444 0.819 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CCO)[C@@H](C)c2ccccc2)CC1 ZINC001168310234 754299495 /nfs/dbraw/zinc/29/94/95/754299495.db2.gz SHGULISLCGBNCJ-KRWDZBQOSA-N 1 1 329.444 0.819 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2sccc2-n2cnnn2)C1 ZINC001028656517 754323020 /nfs/dbraw/zinc/32/30/20/754323020.db2.gz KDUVNLFLRYSECC-LBPRGKRZSA-N 1 1 330.417 0.799 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001008945987 754343873 /nfs/dbraw/zinc/34/38/73/754343873.db2.gz PEYWZPAOLBDZOA-HGTKMLMNSA-N 1 1 341.415 0.415 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000982995267 754380807 /nfs/dbraw/zinc/38/08/07/754380807.db2.gz QQQGHILLJKTMHB-CYBMUJFWSA-N 1 1 340.387 0.670 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001028662213 754398747 /nfs/dbraw/zinc/39/87/47/754398747.db2.gz VDUNFVPODVHYRS-GFCCVEGCSA-N 1 1 328.372 0.488 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3[nH]cnc3C)CC2)C1=O ZINC000989808598 754482422 /nfs/dbraw/zinc/48/24/22/754482422.db2.gz OMYSJWMSJJFWHL-AWEZNQCLSA-N 1 1 331.420 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3[nH]cnc3C)CC2)C1=O ZINC000989808598 754482425 /nfs/dbraw/zinc/48/24/25/754482425.db2.gz OMYSJWMSJJFWHL-AWEZNQCLSA-N 1 1 331.420 0.653 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](NCc3nccn3C)C[C@H]2C)CC1 ZINC000989828600 754497347 /nfs/dbraw/zinc/49/73/47/754497347.db2.gz GQRKBWPQZIDLCH-NVXWUHKLSA-N 1 1 343.475 0.844 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001009121959 754553214 /nfs/dbraw/zinc/55/32/14/754553214.db2.gz IVWSCNFIMPPLQR-CQSZACIVSA-N 1 1 331.420 0.847 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001009121959 754553217 /nfs/dbraw/zinc/55/32/17/754553217.db2.gz IVWSCNFIMPPLQR-CQSZACIVSA-N 1 1 331.420 0.847 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001028673061 754574176 /nfs/dbraw/zinc/57/41/76/754574176.db2.gz SJMYBXPAHICXLH-OLZOCXBDSA-N 1 1 328.844 0.968 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001028673061 754574179 /nfs/dbraw/zinc/57/41/79/754574179.db2.gz SJMYBXPAHICXLH-OLZOCXBDSA-N 1 1 328.844 0.968 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001105872891 762317505 /nfs/dbraw/zinc/31/75/05/762317505.db2.gz DQPSJVZVCFOTQZ-UONOGXRCSA-N 1 1 332.408 0.112 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001060007878 754690510 /nfs/dbraw/zinc/69/05/10/754690510.db2.gz QULOPJZATRYXFY-HOTGVXAUSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001060007878 754690514 /nfs/dbraw/zinc/69/05/14/754690514.db2.gz QULOPJZATRYXFY-HOTGVXAUSA-N 1 1 343.431 0.934 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc1 ZINC001009265677 754722512 /nfs/dbraw/zinc/72/25/12/754722512.db2.gz XBIRISNQHNZNGQ-CVEARBPZSA-N 1 1 326.400 0.917 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001009272662 754729529 /nfs/dbraw/zinc/72/95/29/754729529.db2.gz YSVITRDDTJFASG-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001009272662 754729534 /nfs/dbraw/zinc/72/95/34/754729534.db2.gz YSVITRDDTJFASG-RDJZCZTQSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC001009274070 754731293 /nfs/dbraw/zinc/73/12/93/754731293.db2.gz HJFKGIHJWYZLOV-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)cn1 ZINC001009274070 754731297 /nfs/dbraw/zinc/73/12/97/754731297.db2.gz HJFKGIHJWYZLOV-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO Cc1conc1C[NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC001051554383 762328766 /nfs/dbraw/zinc/32/87/66/762328766.db2.gz DJFCPNZBBMZLLC-ZDUSSCGKSA-N 1 1 329.360 0.814 20 30 ECEDMO Cc1nc([C@H](C)NC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n[nH]1 ZINC001051555497 762330643 /nfs/dbraw/zinc/33/06/43/762330643.db2.gz NIMHGCQPZPIVGU-GWCFXTLKSA-N 1 1 343.391 0.505 20 30 ECEDMO Cc1nnc([C@H](C)[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)[nH]1 ZINC001051555497 762330647 /nfs/dbraw/zinc/33/06/47/762330647.db2.gz NIMHGCQPZPIVGU-GWCFXTLKSA-N 1 1 343.391 0.505 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001009359143 754802984 /nfs/dbraw/zinc/80/29/84/754802984.db2.gz RSPIQQVDEWPJNU-UKRRQHHQSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3[nH]cnc3CC)C2)C1=O ZINC001009359143 754802991 /nfs/dbraw/zinc/80/29/91/754802991.db2.gz RSPIQQVDEWPJNU-UKRRQHHQSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3c[nH]nc3C)C2)C1=O ZINC001028725011 754861093 /nfs/dbraw/zinc/86/10/93/754861093.db2.gz AXORFUOOVIVRCT-DZGCQCFKSA-N 1 1 331.420 0.557 20 30 ECEDMO Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC001051562574 762344284 /nfs/dbraw/zinc/34/42/84/762344284.db2.gz IUPKGYGJQJIHHT-CQSZACIVSA-N 1 1 329.360 0.814 20 30 ECEDMO CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC001051563666 762346462 /nfs/dbraw/zinc/34/64/62/762346462.db2.gz SWTDOZXSLNGHTE-CQSZACIVSA-N 1 1 343.391 0.129 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990289283 754927032 /nfs/dbraw/zinc/92/70/32/754927032.db2.gz OZHJISLUDIVCFX-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H]2CCNC2=O)CC3)[nH]1 ZINC000990279193 754936286 /nfs/dbraw/zinc/93/62/86/754936286.db2.gz YLNSQHFWDVWEFF-KEYYUXOJSA-N 1 1 327.388 0.502 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC001028746046 754954039 /nfs/dbraw/zinc/95/40/39/754954039.db2.gz MACCBILLQKEUFE-CQSZACIVSA-N 1 1 325.376 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000983265883 755019755 /nfs/dbraw/zinc/01/97/55/755019755.db2.gz PISVWPGZYRMDHJ-CABCVRRESA-N 1 1 335.423 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000983265883 755019759 /nfs/dbraw/zinc/01/97/59/755019759.db2.gz PISVWPGZYRMDHJ-CABCVRRESA-N 1 1 335.423 0.798 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028772351 755057794 /nfs/dbraw/zinc/05/77/94/755057794.db2.gz CJIXBCBNPRMVNE-IUODEOHRSA-N 1 1 327.388 0.178 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001028774523 755065195 /nfs/dbraw/zinc/06/51/95/755065195.db2.gz XWAGBAFJWOZIIX-HUUCEWRRSA-N 1 1 327.388 0.178 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001060034444 755160530 /nfs/dbraw/zinc/16/05/30/755160530.db2.gz IYGJZHUDAFRWGP-KGLIPLIRSA-N 1 1 328.420 0.950 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001028803429 755172522 /nfs/dbraw/zinc/17/25/22/755172522.db2.gz VQZOWJRQSXZCLR-MCIONIFRSA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001028803429 755172529 /nfs/dbraw/zinc/17/25/29/755172529.db2.gz VQZOWJRQSXZCLR-MCIONIFRSA-N 1 1 343.855 0.813 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001028808613 755197247 /nfs/dbraw/zinc/19/72/47/755197247.db2.gz BHBZQKITJRWMCL-UAGQMJEPSA-N 1 1 332.448 0.992 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001028817079 755215493 /nfs/dbraw/zinc/21/54/93/755215493.db2.gz RQCVLRAZDFFEAF-QWHCGFSZSA-N 1 1 338.843 0.816 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001028817079 755215495 /nfs/dbraw/zinc/21/54/95/755215495.db2.gz RQCVLRAZDFFEAF-QWHCGFSZSA-N 1 1 338.843 0.816 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001028849845 755304501 /nfs/dbraw/zinc/30/45/01/755304501.db2.gz LYHPIOHKPYDNJZ-ZIAGYGMSSA-N 1 1 329.400 0.624 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnnn3CC)C2)nn1 ZINC001028852293 755310023 /nfs/dbraw/zinc/31/00/23/755310023.db2.gz IJOOPEYTZVRNNL-CYBMUJFWSA-N 1 1 344.423 0.327 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cnnn3CC)C2)nn1 ZINC001028852293 755310030 /nfs/dbraw/zinc/31/00/30/755310030.db2.gz IJOOPEYTZVRNNL-CYBMUJFWSA-N 1 1 344.423 0.327 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001028852098 755310356 /nfs/dbraw/zinc/31/03/56/755310356.db2.gz FIPMPJKFWOBYJT-CHWSQXEVSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]([C@H](C)c3nnc(C)o3)C2)nn1 ZINC001028853531 755313239 /nfs/dbraw/zinc/31/32/39/755313239.db2.gz UYBJANSNQNINSX-YPMHNXCESA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)c3nnc(C)o3)C2)nn1 ZINC001028853531 755313241 /nfs/dbraw/zinc/31/32/41/755313241.db2.gz UYBJANSNQNINSX-YPMHNXCESA-N 1 1 345.407 0.968 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C2)nn1 ZINC001028853364 755313621 /nfs/dbraw/zinc/31/36/21/755313621.db2.gz TTZIGXKUOYZRGX-AWEZNQCLSA-N 1 1 343.435 0.758 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cc(C)n(C)n3)C2)nn1 ZINC001028853364 755313623 /nfs/dbraw/zinc/31/36/23/755313623.db2.gz TTZIGXKUOYZRGX-AWEZNQCLSA-N 1 1 343.435 0.758 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001028862197 755330315 /nfs/dbraw/zinc/33/03/15/755330315.db2.gz NQFCIKKLDOKELJ-VXGBXAGGSA-N 1 1 335.857 0.211 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001028862197 755330320 /nfs/dbraw/zinc/33/03/20/755330320.db2.gz NQFCIKKLDOKELJ-VXGBXAGGSA-N 1 1 335.857 0.211 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001028862536 755330835 /nfs/dbraw/zinc/33/08/35/755330835.db2.gz UTHBFWJCOJOLBU-KBMXLJTQSA-N 1 1 333.436 0.734 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001028862536 755330838 /nfs/dbraw/zinc/33/08/38/755330838.db2.gz UTHBFWJCOJOLBU-KBMXLJTQSA-N 1 1 333.436 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)c3[nH]nc(C)c3C)C2)C1=O ZINC000983353773 755353467 /nfs/dbraw/zinc/35/34/67/755353467.db2.gz AOWVPYXABBOSMU-RBSFLKMASA-N 1 1 345.447 0.911 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001028918180 755473488 /nfs/dbraw/zinc/47/34/88/755473488.db2.gz APCXVEAZZZGFAW-CQSZACIVSA-N 1 1 327.388 0.994 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC001126815332 755509360 /nfs/dbraw/zinc/50/93/60/755509360.db2.gz ANPHQVJENWDQEL-UHFFFAOYSA-N 1 1 341.433 0.395 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC001088769353 755621804 /nfs/dbraw/zinc/62/18/04/755621804.db2.gz FHFQHCVYZVMOKV-OCCSQVGLSA-N 1 1 327.392 0.826 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001083483377 755640050 /nfs/dbraw/zinc/64/00/50/755640050.db2.gz SVCKBKLREKGPAF-ILXRZTDVSA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001083483377 755640054 /nfs/dbraw/zinc/64/00/54/755640054.db2.gz SVCKBKLREKGPAF-ILXRZTDVSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC001088783042 755652397 /nfs/dbraw/zinc/65/23/97/755652397.db2.gz YKDMQMQAOSIONH-KGLIPLIRSA-N 1 1 327.388 0.098 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000990704012 755654142 /nfs/dbraw/zinc/65/41/42/755654142.db2.gz OMORVJCDDAZOAG-DZGCQCFKSA-N 1 1 329.404 0.557 20 30 ECEDMO Cn1ncc(Br)c1C[NH2+]CCNC(=O)C#CC1CC1 ZINC001126880893 755775746 /nfs/dbraw/zinc/77/57/46/755775746.db2.gz FSASXILEANVEKV-UHFFFAOYSA-N 1 1 325.210 0.802 20 30 ECEDMO C=CCOCCCC(=O)N1CCC(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001204908780 755791958 /nfs/dbraw/zinc/79/19/58/755791958.db2.gz XQNZEBQCYIPJHW-UHFFFAOYSA-N 1 1 336.440 0.521 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnc(C)n3C)[C@H]2C)C1=O ZINC001088818440 755865690 /nfs/dbraw/zinc/86/56/90/755865690.db2.gz OXWDHDGZAIJEQI-VHDGCEQUSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnc(C)n3C)[C@H]2C)C1=O ZINC001088818440 755865693 /nfs/dbraw/zinc/86/56/93/755865693.db2.gz OXWDHDGZAIJEQI-VHDGCEQUSA-N 1 1 345.447 0.708 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)nn1 ZINC001098660257 755909106 /nfs/dbraw/zinc/90/91/06/755909106.db2.gz YXZGULBRISPLTB-GXTWGEPZSA-N 1 1 330.396 0.180 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001083535984 755975855 /nfs/dbraw/zinc/97/58/55/755975855.db2.gz XWLKWNARIUYNHE-IKGGRYGDSA-N 1 1 333.476 0.682 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COc3c(C)occc3=O)[C@@H]2C1 ZINC001076021218 756005586 /nfs/dbraw/zinc/00/55/86/756005586.db2.gz FJZITWNYNMRHCE-LSDHHAIUSA-N 1 1 330.384 0.883 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)COc3c(C)occc3=O)[C@@H]2C1 ZINC001076021218 756005590 /nfs/dbraw/zinc/00/55/90/756005590.db2.gz FJZITWNYNMRHCE-LSDHHAIUSA-N 1 1 330.384 0.883 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076028830 756016776 /nfs/dbraw/zinc/01/67/76/756016776.db2.gz PBDLBGAOMZGQGO-GOEBONIOSA-N 1 1 348.447 0.629 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076028830 756016781 /nfs/dbraw/zinc/01/67/81/756016781.db2.gz PBDLBGAOMZGQGO-GOEBONIOSA-N 1 1 348.447 0.629 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083539741 756030393 /nfs/dbraw/zinc/03/03/93/756030393.db2.gz PJUBROSLGNZJBF-XMTFNYHQSA-N 1 1 346.427 0.881 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083539741 756030399 /nfs/dbraw/zinc/03/03/99/756030399.db2.gz PJUBROSLGNZJBF-XMTFNYHQSA-N 1 1 346.427 0.881 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CSCC#N)C1 ZINC001051600779 762437676 /nfs/dbraw/zinc/43/76/76/762437676.db2.gz YOTGPUDPDBBLAV-KGLIPLIRSA-N 1 1 340.493 0.938 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cn4ccnn4)o3)[C@@H]2C1 ZINC001076079072 756069065 /nfs/dbraw/zinc/06/90/65/756069065.db2.gz CUQNGZIBSUALJK-DZGCQCFKSA-N 1 1 325.372 0.699 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cn4ccnn4)o3)[C@@H]2C1 ZINC001076079072 756069071 /nfs/dbraw/zinc/06/90/71/756069071.db2.gz CUQNGZIBSUALJK-DZGCQCFKSA-N 1 1 325.372 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnco4)[C@@H]3C2)C1=O ZINC001076101148 756087836 /nfs/dbraw/zinc/08/78/36/756087836.db2.gz XBSPOLQQGWCWKL-BFHYXJOUSA-N 1 1 330.388 0.608 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cncc(C)c3)C2)C1=O ZINC001010427638 756124238 /nfs/dbraw/zinc/12/42/38/756124238.db2.gz JWYYWKQOXXACSK-JKSUJKDBSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cncc(C)c3)C2)C1=O ZINC001010427638 756124241 /nfs/dbraw/zinc/12/42/41/756124241.db2.gz JWYYWKQOXXACSK-JKSUJKDBSA-N 1 1 328.416 0.981 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428019 756125344 /nfs/dbraw/zinc/12/53/44/756125344.db2.gz OLKDHPQFODTMJE-SJORKVTESA-N 1 1 328.416 0.579 20 30 ECEDMO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001076216765 756229616 /nfs/dbraw/zinc/22/96/16/756229616.db2.gz OGPULTDGDNHWQS-OLZOCXBDSA-N 1 1 331.420 0.853 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cncs3)[C@@H](O)C2)cc1 ZINC001083545119 756286819 /nfs/dbraw/zinc/28/68/19/756286819.db2.gz COBBMKJXRLSNRH-CVEARBPZSA-N 1 1 342.424 0.919 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3cncs3)[C@@H](O)C2)cc1 ZINC001083545119 756286823 /nfs/dbraw/zinc/28/68/23/756286823.db2.gz COBBMKJXRLSNRH-CVEARBPZSA-N 1 1 342.424 0.919 20 30 ECEDMO C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001076294981 756339574 /nfs/dbraw/zinc/33/95/74/756339574.db2.gz KTKPCKVMJGCOFN-HOTGVXAUSA-N 1 1 347.463 0.628 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCCN3CCCC3=O)C2)c[nH]1 ZINC001010660644 756362646 /nfs/dbraw/zinc/36/26/46/756362646.db2.gz AELVZTMWZPFKDA-AWEZNQCLSA-N 1 1 329.404 0.703 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)C#CC2CC2)C3)C1 ZINC001010660615 756362792 /nfs/dbraw/zinc/36/27/92/756362792.db2.gz ALGVECNKFNMTNT-MRXNPFEDSA-N 1 1 329.444 0.803 20 30 ECEDMO O=C(C#CC1CC1)N1CCO[C@@H](C[NH2+]Cc2nnc3n2CCCC3)C1 ZINC001051610661 762462131 /nfs/dbraw/zinc/46/21/31/762462131.db2.gz DXZVWYKQFCLNLN-HNNXBMFYSA-N 1 1 343.431 0.345 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)ccc1F ZINC001010672895 756380363 /nfs/dbraw/zinc/38/03/63/756380363.db2.gz XEHVTRNKVZNMJE-INIZCTEOSA-N 1 1 346.406 0.720 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)ccc1F ZINC001010672895 756380365 /nfs/dbraw/zinc/38/03/65/756380365.db2.gz XEHVTRNKVZNMJE-INIZCTEOSA-N 1 1 346.406 0.720 20 30 ECEDMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010676394 756386297 /nfs/dbraw/zinc/38/62/97/756386297.db2.gz BPYZQJVIQOVPNG-HNNXBMFYSA-N 1 1 325.372 0.226 20 30 ECEDMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010676394 756386301 /nfs/dbraw/zinc/38/63/01/756386301.db2.gz BPYZQJVIQOVPNG-HNNXBMFYSA-N 1 1 325.372 0.226 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c[nH]1 ZINC001010694130 756407359 /nfs/dbraw/zinc/40/73/59/756407359.db2.gz BJGICIBNVPQOES-TZMCWYRMSA-N 1 1 329.404 0.607 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990869247 756435292 /nfs/dbraw/zinc/43/52/92/756435292.db2.gz VXJNYJMBBJILOG-CQSZACIVSA-N 1 1 329.404 0.701 20 30 ECEDMO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1C ZINC001051612394 762468056 /nfs/dbraw/zinc/46/80/56/762468056.db2.gz RIYNNHXKDURQTP-CQSZACIVSA-N 1 1 331.420 0.108 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ncccn4)[C@@H]3C2)C1=O ZINC001076385269 756448929 /nfs/dbraw/zinc/44/89/29/756448929.db2.gz PAYLADHIVWBJTG-RRFJBIMHSA-N 1 1 341.415 0.410 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001010733602 756460126 /nfs/dbraw/zinc/46/01/26/756460126.db2.gz YWBKMMYWBUXIRI-JYJNAYRXSA-N 1 1 335.448 0.733 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076411969 756483356 /nfs/dbraw/zinc/48/33/56/756483356.db2.gz HKVIWXNHDNLQRF-YQQAZPJKSA-N 1 1 343.431 0.484 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001010768990 756501157 /nfs/dbraw/zinc/50/11/57/756501157.db2.gz WDZAQXPXHOGORK-HUUCEWRRSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001010768990 756501159 /nfs/dbraw/zinc/50/11/59/756501159.db2.gz WDZAQXPXHOGORK-HUUCEWRRSA-N 1 1 329.404 0.376 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)C#CC2CC2)C1 ZINC001076432487 756507158 /nfs/dbraw/zinc/50/71/58/756507158.db2.gz SIHGDXDARSVQDS-HOCLYGCPSA-N 1 1 335.448 0.520 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)C#CC2CC2)C1 ZINC001076432487 756507163 /nfs/dbraw/zinc/50/71/63/756507163.db2.gz SIHGDXDARSVQDS-HOCLYGCPSA-N 1 1 335.448 0.520 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1COC(=O)N1 ZINC001010834001 756580724 /nfs/dbraw/zinc/58/07/24/756580724.db2.gz KAWGOMPRQITJRU-GJZGRUSLSA-N 1 1 347.802 0.990 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1COC(=O)N1 ZINC001010834001 756580727 /nfs/dbraw/zinc/58/07/27/756580727.db2.gz KAWGOMPRQITJRU-GJZGRUSLSA-N 1 1 347.802 0.990 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(=O)NC)n3)[C@@H]2C1 ZINC001076515069 756591037 /nfs/dbraw/zinc/59/10/37/756591037.db2.gz VDRAZHAINXZLJR-XJKSGUPXSA-N 1 1 326.400 0.611 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)[C@@H]2C1 ZINC001076556631 756652181 /nfs/dbraw/zinc/65/21/81/756652181.db2.gz UMQWKVOOYFRONI-DOTOQJQBSA-N 1 1 336.399 0.832 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001040361484 756678139 /nfs/dbraw/zinc/67/81/39/756678139.db2.gz RVKKKLMRRSDRLG-DOMZBBRYSA-N 1 1 326.828 0.735 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001040361484 756678143 /nfs/dbraw/zinc/67/81/43/756678143.db2.gz RVKKKLMRRSDRLG-DOMZBBRYSA-N 1 1 326.828 0.735 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@H]12 ZINC000991655773 762485757 /nfs/dbraw/zinc/48/57/57/762485757.db2.gz MSPVCRABUMNGLZ-SUMWQHHRSA-N 1 1 332.404 0.638 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001076588329 756693680 /nfs/dbraw/zinc/69/36/80/756693680.db2.gz QODOQXNKUKVOHK-ZFWWWQNUSA-N 1 1 328.416 0.639 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[C@@H]2CCOC2)CC1 ZINC001010960724 756706570 /nfs/dbraw/zinc/70/65/70/756706570.db2.gz RCFWEJXTHZMBPV-SJORKVTESA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[C@@H]2CCOC2)CC1 ZINC001010960724 756706572 /nfs/dbraw/zinc/70/65/72/756706572.db2.gz RCFWEJXTHZMBPV-SJORKVTESA-N 1 1 347.459 0.572 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)[nH]1 ZINC000990892732 756713126 /nfs/dbraw/zinc/71/31/26/756713126.db2.gz MGIDILJUQKCKGF-GOEBONIOSA-N 1 1 341.415 0.844 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051619777 762490777 /nfs/dbraw/zinc/49/07/77/762490777.db2.gz MBXCXPWOOVYPQS-KFWWJZLASA-N 1 1 336.392 0.368 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@H+]1C ZINC001011012927 756766264 /nfs/dbraw/zinc/76/62/64/756766264.db2.gz OULOWESFIACNGG-KBPBESRZSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@H+]1C ZINC001011020472 756774785 /nfs/dbraw/zinc/77/47/85/756774785.db2.gz YROBTBHUMUDZTK-TZMCWYRMSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc[nH]c2CC)CC1 ZINC001011080328 756891705 /nfs/dbraw/zinc/89/17/05/756891705.db2.gz JLQKEEDZCILHOV-KRWDZBQOSA-N 1 1 342.443 0.959 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc[nH]c2CC)CC1 ZINC001011080328 756891711 /nfs/dbraw/zinc/89/17/11/756891711.db2.gz JLQKEEDZCILHOV-KRWDZBQOSA-N 1 1 342.443 0.959 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)C1=O ZINC001048771443 756944415 /nfs/dbraw/zinc/94/44/15/756944415.db2.gz LMFDOVVLFXDNRO-ZENOOKHLSA-N 1 1 341.415 0.511 20 30 ECEDMO CN1CCC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)C1=O ZINC001048779447 756967587 /nfs/dbraw/zinc/96/75/87/756967587.db2.gz VQQXKVXMSZGLTP-LZWOXQAQSA-N 1 1 341.415 0.511 20 30 ECEDMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@H]3C2)nn1 ZINC001048803530 757045443 /nfs/dbraw/zinc/04/54/43/757045443.db2.gz IZBNVJQDAPBQTK-TXEJJXNPSA-N 1 1 342.428 0.952 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)nn1 ZINC001011155283 757049513 /nfs/dbraw/zinc/04/95/13/757049513.db2.gz KEUJONQYAPEPOU-AWEZNQCLSA-N 1 1 346.435 0.233 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)n3cncn3)nn2)C1 ZINC001107159126 757132156 /nfs/dbraw/zinc/13/21/56/757132156.db2.gz KOJPSYUVWXJSOJ-GFCCVEGCSA-N 1 1 330.396 0.180 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011205833 757186152 /nfs/dbraw/zinc/18/61/52/757186152.db2.gz CJBBEUJNDFGQQJ-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)n3nnnc3C(C)(C)C)C[C@H]2C1 ZINC001048855712 757191524 /nfs/dbraw/zinc/19/15/24/757191524.db2.gz IXYSGZQMPMCEQI-MCIONIFRSA-N 1 1 330.436 0.555 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001048864511 757220932 /nfs/dbraw/zinc/22/09/32/757220932.db2.gz IHVSZUOOMYQPMI-GASCZTMLSA-N 1 1 330.432 0.766 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048864894 757222722 /nfs/dbraw/zinc/22/27/22/757222722.db2.gz OYXKMHZMBATYDL-XHSDSOJGSA-N 1 1 342.443 0.957 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cc4c(cn3)OCCO4)C[C@H]2C1 ZINC001048867690 757231226 /nfs/dbraw/zinc/23/12/26/757231226.db2.gz UAAXXRDRJVJLNF-OKILXGFUSA-N 1 1 327.384 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nc(C)no3)C[C@H]2C1 ZINC001048868567 757232502 /nfs/dbraw/zinc/23/25/02/757232502.db2.gz FDXKLSWFTYBQPE-XHSDSOJGSA-N 1 1 343.431 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nc(C)no3)C[C@H]2C1 ZINC001048868567 757232510 /nfs/dbraw/zinc/23/25/10/757232510.db2.gz FDXKLSWFTYBQPE-XHSDSOJGSA-N 1 1 343.431 0.366 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001030301387 762531295 /nfs/dbraw/zinc/53/12/95/762531295.db2.gz CTHVTHZLTBTMAQ-CVEARBPZSA-N 1 1 334.464 0.447 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001011239860 757268771 /nfs/dbraw/zinc/26/87/71/757268771.db2.gz HNNGLEAKZJGGIM-DOMZBBRYSA-N 1 1 344.419 0.620 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001011239860 757268776 /nfs/dbraw/zinc/26/87/76/757268776.db2.gz HNNGLEAKZJGGIM-DOMZBBRYSA-N 1 1 344.419 0.620 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3ccnn3C)nn2)C1 ZINC001107173048 757277587 /nfs/dbraw/zinc/27/75/87/757277587.db2.gz ZDEYWXTXVDQKDS-CYBMUJFWSA-N 1 1 343.435 0.864 20 30 ECEDMO C#CCN1CC(n2cc(CNC(=O)C[C@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC001107179267 757294086 /nfs/dbraw/zinc/29/40/86/757294086.db2.gz GLKFRRKEGSXNQK-MRXNPFEDSA-N 1 1 344.463 0.647 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N[C@@H](CC(C)C)C3)C[C@H]2C1 ZINC001048911261 757367548 /nfs/dbraw/zinc/36/75/48/757367548.db2.gz ARWKOULPCVEHFA-NXOAAHMSSA-N 1 1 331.460 0.951 20 30 ECEDMO Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855667 757397452 /nfs/dbraw/zinc/39/74/52/757397452.db2.gz HEHJNDDNLPOTSX-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855667 757397464 /nfs/dbraw/zinc/39/74/64/757397464.db2.gz HEHJNDDNLPOTSX-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)nn3C)nn2)C1 ZINC001107184263 757415328 /nfs/dbraw/zinc/41/53/28/757415328.db2.gz GJNGPNUGDWOCES-UHFFFAOYSA-N 1 1 343.435 0.612 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cnc[nH]c3=O)[C@@H](O)C2)cc1 ZINC001083555237 757415782 /nfs/dbraw/zinc/41/57/82/757415782.db2.gz SXFPJJPQQGUWQN-CABCVRRESA-N 1 1 339.355 0.029 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cnc[nH]c3=O)[C@@H](O)C2)cc1 ZINC001083555237 757415790 /nfs/dbraw/zinc/41/57/90/757415790.db2.gz SXFPJJPQQGUWQN-CABCVRRESA-N 1 1 339.355 0.029 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C[C@H]2C1 ZINC001048921012 757417332 /nfs/dbraw/zinc/41/73/32/757417332.db2.gz ONEHQQMLHFINMS-OKILXGFUSA-N 1 1 342.399 0.992 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001021422017 757419382 /nfs/dbraw/zinc/41/93/82/757419382.db2.gz VZDVIXXEAKHLJM-NXOAAHMSSA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001021422017 757419389 /nfs/dbraw/zinc/41/93/89/757419389.db2.gz VZDVIXXEAKHLJM-NXOAAHMSSA-N 1 1 345.443 0.322 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@H]2C1 ZINC001048923514 757425331 /nfs/dbraw/zinc/42/53/31/757425331.db2.gz AXGAPBTWUXRJQD-SOUVJXGZSA-N 1 1 326.462 0.778 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001051639586 762544398 /nfs/dbraw/zinc/54/43/98/762544398.db2.gz YCGSESFZBIGXMW-LBPRGKRZSA-N 1 1 341.843 0.911 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nncn4CC3)C[C@H]2C1 ZINC001048946308 757486642 /nfs/dbraw/zinc/48/66/42/757486642.db2.gz RBPINPIQCCFVIY-OAGGEKHMSA-N 1 1 327.432 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccco2)CC1 ZINC001011314277 757488771 /nfs/dbraw/zinc/48/87/71/757488771.db2.gz RNSBCBWUOPWCQB-INIZCTEOSA-N 1 1 329.400 0.591 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccco2)CC1 ZINC001011314277 757488780 /nfs/dbraw/zinc/48/87/80/757488780.db2.gz RNSBCBWUOPWCQB-INIZCTEOSA-N 1 1 329.400 0.591 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001011315073 757491468 /nfs/dbraw/zinc/49/14/68/757491468.db2.gz XPOLLEWYWWUQGN-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@H]2C1 ZINC001048960819 757523787 /nfs/dbraw/zinc/52/37/87/757523787.db2.gz NRGRPJMCNYTLAU-ZNMIVQPWSA-N 1 1 343.418 0.919 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)c[nH]1 ZINC001076907436 757563836 /nfs/dbraw/zinc/56/38/36/757563836.db2.gz OVAGSZJJSSCGEP-DAXOMENPSA-N 1 1 332.404 0.478 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001105900710 762561618 /nfs/dbraw/zinc/56/16/18/762561618.db2.gz TWJNJXLINQPJFW-ZDUSSCGKSA-N 1 1 343.391 0.223 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC001021559567 757599496 /nfs/dbraw/zinc/59/94/96/757599496.db2.gz SKDRSKYNNKIHKP-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]3C2)n1 ZINC001048991291 757626185 /nfs/dbraw/zinc/62/61/85/757626185.db2.gz OPOQZUVHSCQSIS-GASCZTMLSA-N 1 1 337.387 0.286 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@H]21 ZINC001021585932 757643517 /nfs/dbraw/zinc/64/35/17/757643517.db2.gz XVVASZDASYFQNZ-DLBZAZTESA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001021597965 757667149 /nfs/dbraw/zinc/66/71/49/757667149.db2.gz SMIWWLGXDKGRNX-DZGCQCFKSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(=O)n(C)cn2)C1 ZINC001021607120 757678683 /nfs/dbraw/zinc/67/86/83/757678683.db2.gz MHCMJJFYRQMNPV-ZBFHGGJFSA-N 1 1 328.416 0.730 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001021620920 757696093 /nfs/dbraw/zinc/69/60/93/757696093.db2.gz YAHOJKKSYMVJEQ-CVEARBPZSA-N 1 1 347.463 0.861 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021623761 757703447 /nfs/dbraw/zinc/70/34/47/757703447.db2.gz PUOIIGWOLZQNOE-GJZGRUSLSA-N 1 1 346.431 0.838 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]3C2)c1 ZINC001049022032 757719455 /nfs/dbraw/zinc/71/94/55/757719455.db2.gz IAKMVBVOFKSVHR-IYBDPMFKSA-N 1 1 338.411 0.714 20 30 ECEDMO C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001076953353 757720477 /nfs/dbraw/zinc/72/04/77/757720477.db2.gz WSRZEPMKSLYUMU-JKSUJKDBSA-N 1 1 347.463 0.628 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)cc1F ZINC001021662534 757755485 /nfs/dbraw/zinc/75/54/85/757755485.db2.gz WJMAWHFADGSRGI-ZBFHGGJFSA-N 1 1 344.390 0.996 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(C)no4)C[C@@H]3C2)c1 ZINC001049047570 757775150 /nfs/dbraw/zinc/77/51/50/757775150.db2.gz MFZXLYPBCDTQLB-IYBDPMFKSA-N 1 1 337.383 0.958 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(C)no4)C[C@@H]3C2)c1 ZINC001049047570 757775156 /nfs/dbraw/zinc/77/51/56/757775156.db2.gz MFZXLYPBCDTQLB-IYBDPMFKSA-N 1 1 337.383 0.958 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccncc3C)C2)C1=O ZINC001014383260 762575602 /nfs/dbraw/zinc/57/56/02/762575602.db2.gz ZAPBXXCAQAQMLG-GDBMZVCRSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccncc3C)C2)C1=O ZINC001014383260 762575604 /nfs/dbraw/zinc/57/56/04/762575604.db2.gz ZAPBXXCAQAQMLG-GDBMZVCRSA-N 1 1 328.416 0.981 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001076988330 757857120 /nfs/dbraw/zinc/85/71/20/757857120.db2.gz DVNIZSSXZAZEFO-HZPDHXFCSA-N 1 1 327.388 0.213 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021724524 757864233 /nfs/dbraw/zinc/86/42/33/757864233.db2.gz MISPYMRXKMWHOO-JKSUJKDBSA-N 1 1 347.463 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049068243 757870111 /nfs/dbraw/zinc/87/01/11/757870111.db2.gz OPFJALPOQBDAMK-LEOABGAYSA-N 1 1 333.432 0.246 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001021755537 757904292 /nfs/dbraw/zinc/90/42/92/757904292.db2.gz XLQALTITEMPEQZ-GDBMZVCRSA-N 1 1 326.400 0.740 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC001021817098 757948451 /nfs/dbraw/zinc/94/84/51/757948451.db2.gz PADSYUCWXMNRIE-GVDBMIGSSA-N 1 1 345.443 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC001021817098 757948456 /nfs/dbraw/zinc/94/84/56/757948456.db2.gz PADSYUCWXMNRIE-GVDBMIGSSA-N 1 1 345.443 0.180 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cncn4C)C[C@@H]3C2)nn1 ZINC001049103513 757965601 /nfs/dbraw/zinc/96/56/01/757965601.db2.gz NHDVPCKPKCFCIU-OKILXGFUSA-N 1 1 341.419 0.402 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnc(C)o4)C[C@@H]3C2)nn1 ZINC001049103530 757966238 /nfs/dbraw/zinc/96/62/38/757966238.db2.gz OIHLEVYORFOWEE-OKILXGFUSA-N 1 1 342.403 0.965 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049104446 757967997 /nfs/dbraw/zinc/96/79/97/757967997.db2.gz MPVBCCLEGNCKPQ-NNXHMXCWSA-N 1 1 347.459 0.636 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)[C@@H](O)C1 ZINC001083560302 757973973 /nfs/dbraw/zinc/97/39/73/757973973.db2.gz ZMOHOTSCNOGERM-JQHSSLGASA-N 1 1 327.428 0.698 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CCC)CC2(CCOCC2)C1 ZINC001099561966 758026746 /nfs/dbraw/zinc/02/67/46/758026746.db2.gz KYPUSQKVYBGARW-OAHLLOKOSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CCC)CC2(CCOCC2)C1 ZINC001099561966 758026759 /nfs/dbraw/zinc/02/67/59/758026759.db2.gz KYPUSQKVYBGARW-OAHLLOKOSA-N 1 1 335.448 0.523 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001077067173 758081090 /nfs/dbraw/zinc/08/10/90/758081090.db2.gz PVUAXAVAUIHFJE-RRFJBIMHSA-N 1 1 332.400 0.954 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cccnc3)CCC[C@@H]12 ZINC001107260250 758083154 /nfs/dbraw/zinc/08/31/54/758083154.db2.gz YSQFMJOTSXJDHQ-CRAIPNDOSA-N 1 1 341.415 0.696 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3=COCCO3)CCC[C@@H]12 ZINC001107264332 758101647 /nfs/dbraw/zinc/10/16/47/758101647.db2.gz BZXRKAMNJDSDQJ-CRAIPNDOSA-N 1 1 349.431 0.538 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049149813 758132067 /nfs/dbraw/zinc/13/20/67/758132067.db2.gz MIWBDWMIYRATJU-GJZGRUSLSA-N 1 1 325.453 0.715 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049159119 758168132 /nfs/dbraw/zinc/16/81/32/758168132.db2.gz JUUNPWNOGSZDKE-QLFBSQMISA-N 1 1 331.420 0.819 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@H]2C1 ZINC001049161958 758179831 /nfs/dbraw/zinc/17/98/31/758179831.db2.gz NJZTWLKMTKBGTM-OAGGEKHMSA-N 1 1 338.473 0.615 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C[C@H]2C1 ZINC001049161958 758179838 /nfs/dbraw/zinc/17/98/38/758179838.db2.gz NJZTWLKMTKBGTM-OAGGEKHMSA-N 1 1 338.473 0.615 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@H]3C2)nc1 ZINC001049175593 758225726 /nfs/dbraw/zinc/22/57/26/758225726.db2.gz XYSOVCNADOCKTG-IYBDPMFKSA-N 1 1 338.411 0.299 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001049177988 758233898 /nfs/dbraw/zinc/23/38/98/758233898.db2.gz XZDWJSGBEINIGI-KFWWJZLASA-N 1 1 329.400 0.478 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2C1 ZINC001049190488 758256584 /nfs/dbraw/zinc/25/65/84/758256584.db2.gz SSJKQTGXRUWYLS-CALCHBBNSA-N 1 1 325.412 0.347 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3cccc(C(=O)NC)n3)C[C@H]2C1 ZINC001049195050 758273609 /nfs/dbraw/zinc/27/36/09/758273609.db2.gz VNOAEMVFSZPJMO-OKILXGFUSA-N 1 1 326.400 0.468 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc(F)nc1 ZINC001077124276 758282965 /nfs/dbraw/zinc/28/29/65/758282965.db2.gz QFPHRJAIWSWIBX-ZFWWWQNUSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc(F)nc1 ZINC001077124276 758282976 /nfs/dbraw/zinc/28/29/76/758282976.db2.gz QFPHRJAIWSWIBX-ZFWWWQNUSA-N 1 1 346.406 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cncs1 ZINC001077125229 758289855 /nfs/dbraw/zinc/28/98/55/758289855.db2.gz PMSAGLFIEISPNV-ZFWWWQNUSA-N 1 1 348.472 0.794 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cncs1 ZINC001077125229 758289862 /nfs/dbraw/zinc/28/98/62/758289862.db2.gz PMSAGLFIEISPNV-ZFWWWQNUSA-N 1 1 348.472 0.794 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cc(C)on2)C1 ZINC001051660490 762618498 /nfs/dbraw/zinc/61/84/98/762618498.db2.gz VHNKQSPHUYYYDM-SJORKVTESA-N 1 1 346.431 0.398 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001022159505 758352205 /nfs/dbraw/zinc/35/22/05/758352205.db2.gz VPMJCNWTLHULNC-JKSUJKDBSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)CC(N)=O)CCC[C@@H]23)C1=O ZINC001107347933 758362507 /nfs/dbraw/zinc/36/25/07/758362507.db2.gz JTTHPDWMLAEFCE-HBUWYVDXSA-N 1 1 348.447 0.010 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)COc3ccc(C(N)=O)cc3)C[C@H]2C1 ZINC001049221852 758367061 /nfs/dbraw/zinc/36/70/61/758367061.db2.gz LGROTARBPLVOEV-IYBDPMFKSA-N 1 1 341.411 0.578 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)[nH]1 ZINC001107363632 758373919 /nfs/dbraw/zinc/37/39/19/758373919.db2.gz KFJOISJIJFWPLG-SJLPKXTDSA-N 1 1 346.431 0.870 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O ZINC001077159231 758377642 /nfs/dbraw/zinc/37/76/42/758377642.db2.gz UPVHAYLKYRABQF-IXDOHACOSA-N 1 1 347.484 0.550 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CO[C@@H](C)CC)CCC[C@@H]12 ZINC001107366927 758378888 /nfs/dbraw/zinc/37/88/88/758378888.db2.gz ZOXRUVFQVWIBLK-FRQCXROJSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001077164285 758393271 /nfs/dbraw/zinc/39/32/71/758393271.db2.gz KYFFJGQFAPEZMG-WCXIOVBPSA-N 1 1 347.459 0.352 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001077164468 758395193 /nfs/dbraw/zinc/39/51/93/758395193.db2.gz PMTJJEZDPKCPFC-KBUPBQIOSA-N 1 1 334.420 0.235 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001077164468 758395202 /nfs/dbraw/zinc/39/52/02/758395202.db2.gz PMTJJEZDPKCPFC-KBUPBQIOSA-N 1 1 334.420 0.235 20 30 ECEDMO CCn1nncc1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107388881 758415432 /nfs/dbraw/zinc/41/54/32/758415432.db2.gz ARVAGILIOFQOHI-SJLPKXTDSA-N 1 1 345.447 0.922 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001049246054 758424276 /nfs/dbraw/zinc/42/42/76/758424276.db2.gz JNBHFRMUFQOGML-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cncs3)C2)cc1 ZINC001077180544 758455470 /nfs/dbraw/zinc/45/54/70/758455470.db2.gz COBBMKJXRLSNRH-HZPDHXFCSA-N 1 1 342.424 0.919 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cncs3)C2)cc1 ZINC001077180544 758455474 /nfs/dbraw/zinc/45/54/74/758455474.db2.gz COBBMKJXRLSNRH-HZPDHXFCSA-N 1 1 342.424 0.919 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(OC)c2C)C1 ZINC001077196627 758485043 /nfs/dbraw/zinc/48/50/43/758485043.db2.gz COABILGUHJZJSW-HUUCEWRRSA-N 1 1 332.400 0.810 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)nn(C)c2C)C1 ZINC000996694064 758493028 /nfs/dbraw/zinc/49/30/28/758493028.db2.gz NGJNWGDMDSUNAL-HNNXBMFYSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)nn(C)c2C)C1 ZINC000996694064 758493036 /nfs/dbraw/zinc/49/30/36/758493036.db2.gz NGJNWGDMDSUNAL-HNNXBMFYSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnn(C)n1)CC2 ZINC001107401197 758499000 /nfs/dbraw/zinc/49/90/00/758499000.db2.gz BQIXHBYWSORBLA-QGPMSJSTSA-N 1 1 345.447 0.714 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnn(C)n1)CC2 ZINC001107401197 758499005 /nfs/dbraw/zinc/49/90/05/758499005.db2.gz BQIXHBYWSORBLA-QGPMSJSTSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CNS(=O)(=O)CC)CCC[C@@H]12 ZINC001107426415 758536337 /nfs/dbraw/zinc/53/63/37/758536337.db2.gz NUHBFIFZMARSMJ-UKRRQHHQSA-N 1 1 329.466 0.473 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCNC3=O)CCC[C@@H]12 ZINC001107436282 758562170 /nfs/dbraw/zinc/56/21/70/758562170.db2.gz TXBAQHFOIXLDDN-FRQCXROJSA-N 1 1 347.459 0.523 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)[C@@H](O)C1 ZINC001083569050 758562711 /nfs/dbraw/zinc/56/27/11/758562711.db2.gz ZUBVHDMPAOJHIE-OAGGEKHMSA-N 1 1 332.448 0.881 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(F)nc2)C1=O ZINC001032318935 758567910 /nfs/dbraw/zinc/56/79/10/758567910.db2.gz DJHKJGBJSXJKGJ-KKUMJFAQSA-N 1 1 344.390 0.906 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(F)nc2)C1=O ZINC001032318935 758567914 /nfs/dbraw/zinc/56/79/14/758567914.db2.gz DJHKJGBJSXJKGJ-KKUMJFAQSA-N 1 1 344.390 0.906 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001022352119 758610590 /nfs/dbraw/zinc/61/05/90/758610590.db2.gz KFQKBPDTANQOIS-BETUJISGSA-N 1 1 326.360 0.736 20 30 ECEDMO O=C(NCCNCC#Cc1ccccc1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779487 758622685 /nfs/dbraw/zinc/62/26/85/758622685.db2.gz MIKUMMGQBPHGPL-ROUUACIJSA-N 1 1 327.428 0.607 20 30 ECEDMO O=C(NCCNCC#Cc1ccccc1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779487 758622689 /nfs/dbraw/zinc/62/26/89/758622689.db2.gz MIKUMMGQBPHGPL-ROUUACIJSA-N 1 1 327.428 0.607 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)nc1 ZINC001011804476 758626276 /nfs/dbraw/zinc/62/62/76/758626276.db2.gz CKGCFIXZMXUILH-HNNXBMFYSA-N 1 1 340.427 0.832 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001077321575 758792306 /nfs/dbraw/zinc/79/23/06/758792306.db2.gz BYYSWFSXNAZWOP-IAGOWNOFSA-N 1 1 329.400 0.121 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001077321575 758792310 /nfs/dbraw/zinc/79/23/10/758792310.db2.gz BYYSWFSXNAZWOP-IAGOWNOFSA-N 1 1 329.400 0.121 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001083573541 758838067 /nfs/dbraw/zinc/83/80/67/758838067.db2.gz MPMYVGBPUKPNCM-QRVBRYPASA-N 1 1 341.455 0.684 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001049559524 758921165 /nfs/dbraw/zinc/92/11/65/758921165.db2.gz XKOYDLBDPDDMCH-HZSPNIEDSA-N 1 1 329.404 0.245 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001049560963 758925206 /nfs/dbraw/zinc/92/52/06/758925206.db2.gz ZUVRGZSFFKKHOS-JYJNAYRXSA-N 1 1 335.448 0.018 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001049579628 758957197 /nfs/dbraw/zinc/95/71/97/758957197.db2.gz HRAIYQXRFANECG-HOTGVXAUSA-N 1 1 346.431 0.755 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]3)[C@H]2C)C1=O ZINC001088837857 758974072 /nfs/dbraw/zinc/97/40/72/758974072.db2.gz DXFIXWRFPPVPDU-DYEKYZERSA-N 1 1 347.419 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]3)[C@H]2C)C1=O ZINC001088837857 758974076 /nfs/dbraw/zinc/97/40/76/758974076.db2.gz DXFIXWRFPPVPDU-DYEKYZERSA-N 1 1 347.419 0.105 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049596929 758977025 /nfs/dbraw/zinc/97/70/25/758977025.db2.gz XSOHZIUNBZCBLO-NCOADZHNSA-N 1 1 347.459 0.888 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049610118 758989676 /nfs/dbraw/zinc/98/96/76/758989676.db2.gz ZIUNTYSKMCEENA-ZNMIVQPWSA-N 1 1 327.388 0.064 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049611364 758992623 /nfs/dbraw/zinc/99/26/23/758992623.db2.gz GFMUIKIIWQENGR-VVLHAWIVSA-N 1 1 333.432 0.321 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001049613701 758994222 /nfs/dbraw/zinc/99/42/22/758994222.db2.gz SZCHWWJNNFXPJI-HRCADAONSA-N 1 1 327.432 0.847 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001049631320 759020043 /nfs/dbraw/zinc/02/00/43/759020043.db2.gz WCNHUHQZZNQRRV-OLZOCXBDSA-N 1 1 340.391 0.006 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(CC)nc2C)C1 ZINC001077412287 759025892 /nfs/dbraw/zinc/02/58/92/759025892.db2.gz UFTXMLWOGQQCEJ-HZPDHXFCSA-N 1 1 332.448 0.936 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC001022719717 759041810 /nfs/dbraw/zinc/04/18/10/759041810.db2.gz AKTZDARGPDVUHV-BHYGNILZSA-N 1 1 329.444 0.801 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)[C@@H](O)C1 ZINC001083585755 759107114 /nfs/dbraw/zinc/10/71/14/759107114.db2.gz MIZHIQFYYQDANZ-KURKYZTESA-N 1 1 328.412 0.989 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc([C@@H]3CCOC3)c2)[C@@H](O)C1 ZINC001083585755 759107119 /nfs/dbraw/zinc/10/71/19/759107119.db2.gz MIZHIQFYYQDANZ-KURKYZTESA-N 1 1 328.412 0.989 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nn(C)cc3Cl)C2)nn1 ZINC001022825009 759148422 /nfs/dbraw/zinc/14/84/22/759148422.db2.gz RMVKXTKLZIAXQS-PHIMTYICSA-N 1 1 349.826 0.902 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncccn3)C2)nn1 ZINC001022828259 759151524 /nfs/dbraw/zinc/15/15/24/759151524.db2.gz BYPFMCOPTUQRDS-BETUJISGSA-N 1 1 327.392 0.695 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001022834236 759154796 /nfs/dbraw/zinc/15/47/96/759154796.db2.gz IVCQJXOCAFZFAT-MRLBHPIUSA-N 1 1 348.451 0.879 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)NC1CC1 ZINC001049742484 759156979 /nfs/dbraw/zinc/15/69/79/759156979.db2.gz UGNVTVUAHOZCQF-TWMKSMIVSA-N 1 1 347.459 0.921 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001049780538 759197141 /nfs/dbraw/zinc/19/71/41/759197141.db2.gz IDDRJKQFNPBHPT-RRFJBIMHSA-N 1 1 339.461 0.109 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001049780533 759197156 /nfs/dbraw/zinc/19/71/56/759197156.db2.gz IDDRJKQFNPBHPT-KFWWJZLASA-N 1 1 339.461 0.109 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@@H](O)C1 ZINC001083595302 759205636 /nfs/dbraw/zinc/20/56/36/759205636.db2.gz SDKOBDCLDWWZGW-ZBFHGGJFSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@@H](O)C1 ZINC001083595302 759205647 /nfs/dbraw/zinc/20/56/47/759205647.db2.gz SDKOBDCLDWWZGW-ZBFHGGJFSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@@H](O)C1 ZINC001083600011 759232491 /nfs/dbraw/zinc/23/24/91/759232491.db2.gz XAAGKLLFIZUDME-CVEARBPZSA-N 1 1 349.431 0.236 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001077426097 759234198 /nfs/dbraw/zinc/23/41/98/759234198.db2.gz WPTNFSYKOKJGBR-CHWSQXEVSA-N 1 1 327.388 0.319 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001077426097 759234203 /nfs/dbraw/zinc/23/42/03/759234203.db2.gz WPTNFSYKOKJGBR-CHWSQXEVSA-N 1 1 327.388 0.319 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2C(F)(F)F)[C@@H](O)C1 ZINC001083600702 759237491 /nfs/dbraw/zinc/23/74/91/759237491.db2.gz JARJDCARVGVIPM-MNOVXSKESA-N 1 1 332.326 0.790 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C(F)(F)F)[C@@H](O)C1 ZINC001083600702 759237494 /nfs/dbraw/zinc/23/74/94/759237494.db2.gz JARJDCARVGVIPM-MNOVXSKESA-N 1 1 332.326 0.790 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cnccc1=O ZINC001049817603 759250010 /nfs/dbraw/zinc/25/00/10/759250010.db2.gz LXYSEGDHXKNKHX-HZPDHXFCSA-N 1 1 328.416 0.722 20 30 ECEDMO CCc1nc(C)c(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)s1 ZINC001114959984 759250008 /nfs/dbraw/zinc/25/00/08/759250008.db2.gz OBVZCUWQCHJVNP-YABSGUDNSA-N 1 1 347.444 0.314 20 30 ECEDMO CCc1nc(C)c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)s1 ZINC001114959984 759250014 /nfs/dbraw/zinc/25/00/14/759250014.db2.gz OBVZCUWQCHJVNP-YABSGUDNSA-N 1 1 347.444 0.314 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001049866249 759316527 /nfs/dbraw/zinc/31/65/27/759316527.db2.gz ZLZLSWXRERPWNS-IIAWOOMASA-N 1 1 339.461 0.157 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001049866247 759316926 /nfs/dbraw/zinc/31/69/26/759316926.db2.gz ZLZLSWXRERPWNS-FMKPAKJESA-N 1 1 339.461 0.157 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049888207 759352519 /nfs/dbraw/zinc/35/25/19/759352519.db2.gz FQLKPHPYYUQUBR-OLZOCXBDSA-N 1 1 339.823 0.953 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049888207 759352528 /nfs/dbraw/zinc/35/25/28/759352528.db2.gz FQLKPHPYYUQUBR-OLZOCXBDSA-N 1 1 339.823 0.953 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(N(C)C)nn1 ZINC001089889182 759375116 /nfs/dbraw/zinc/37/51/16/759375116.db2.gz KYCPZTPPOCVBHW-HWMZRRJGSA-N 1 1 339.443 0.958 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001047644189 759391420 /nfs/dbraw/zinc/39/14/20/759391420.db2.gz BKDWLTFQOIOGQZ-HOTGVXAUSA-N 1 1 331.416 0.408 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccnc1C(N)=O ZINC001049907931 759391665 /nfs/dbraw/zinc/39/16/65/759391665.db2.gz LMUUGOWFZFAQPN-LSDHHAIUSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCCO)CC1 ZINC001049921089 759405261 /nfs/dbraw/zinc/40/52/61/759405261.db2.gz UZKRWGPGEIVKKK-ZWKOTPCHSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCCO)CC1 ZINC001049921089 759405264 /nfs/dbraw/zinc/40/52/64/759405264.db2.gz UZKRWGPGEIVKKK-ZWKOTPCHSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C(N)=O)cn1 ZINC001049924046 759409684 /nfs/dbraw/zinc/40/96/84/759409684.db2.gz BICJEYQURNEDPI-HOTGVXAUSA-N 1 1 326.400 0.883 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3nnn(C)c32)C1 ZINC001047654180 759416351 /nfs/dbraw/zinc/41/63/51/759416351.db2.gz RUZKQWRZRFFAGA-GJZGRUSLSA-N 1 1 329.404 0.662 20 30 ECEDMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047780870 759518551 /nfs/dbraw/zinc/51/85/51/759518551.db2.gz PIFOMNXEHRQYTK-JQWIXIFHSA-N 1 1 328.380 0.050 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001050024113 759563254 /nfs/dbraw/zinc/56/32/54/759563254.db2.gz BWHDZECMHSJRHV-HEHGZKQESA-N 1 1 343.431 0.899 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001012245055 759568833 /nfs/dbraw/zinc/56/88/33/759568833.db2.gz SSKXSOAWKTZPID-CYBMUJFWSA-N 1 1 338.371 0.711 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cccnc3C(N)=O)C2)cc1 ZINC001032200923 759573271 /nfs/dbraw/zinc/57/32/71/759573271.db2.gz LIFOXIWLARGBPW-UHFFFAOYSA-N 1 1 349.394 0.914 20 30 ECEDMO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@H]1CCc2nncn2C1 ZINC001032204284 759608824 /nfs/dbraw/zinc/60/88/24/759608824.db2.gz OXRPUYBTHNGDSN-SFHVURJKSA-N 1 1 349.438 0.940 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3COCCN3C)cc2C1 ZINC001054261654 767878661 /nfs/dbraw/zinc/87/86/61/767878661.db2.gz NDGLLNLLNQXIGS-GOSISDBHSA-N 1 1 327.428 0.972 20 30 ECEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3COCCN3C)cc2C1 ZINC001054261654 767878668 /nfs/dbraw/zinc/87/86/68/767878668.db2.gz NDGLLNLLNQXIGS-GOSISDBHSA-N 1 1 327.428 0.972 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001050081577 759668897 /nfs/dbraw/zinc/66/88/97/759668897.db2.gz HPQGCDBKLKWFDI-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100302 759702072 /nfs/dbraw/zinc/70/20/72/759702072.db2.gz YGMJXUJBZLKHEG-VVJOJPPRSA-N 1 1 343.471 0.796 20 30 ECEDMO CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100302 759702079 /nfs/dbraw/zinc/70/20/79/759702079.db2.gz YGMJXUJBZLKHEG-VVJOJPPRSA-N 1 1 343.471 0.796 20 30 ECEDMO CN(C[C@H](O)CN(C)c1cccc(F)c1C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125111120 759710966 /nfs/dbraw/zinc/71/09/66/759710966.db2.gz SALONKSJKAWEMH-ZIAGYGMSSA-N 1 1 348.422 0.905 20 30 ECEDMO Cc1nc(N(C)C[C@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)ccc1C#N ZINC001125111379 759716837 /nfs/dbraw/zinc/71/68/37/759716837.db2.gz WFDSRVZLNPZNAC-HOTGVXAUSA-N 1 1 345.447 0.469 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC000944632424 759739821 /nfs/dbraw/zinc/73/98/21/759739821.db2.gz VPRTYOSFIIESQT-HOTGVXAUSA-N 1 1 344.415 0.070 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC000944632424 759739828 /nfs/dbraw/zinc/73/98/28/759739828.db2.gz VPRTYOSFIIESQT-HOTGVXAUSA-N 1 1 344.415 0.070 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)c1 ZINC001050131056 759772001 /nfs/dbraw/zinc/77/20/01/759772001.db2.gz MIFSOOMVTHQXLU-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)c1 ZINC001050131056 759772006 /nfs/dbraw/zinc/77/20/06/759772006.db2.gz MIFSOOMVTHQXLU-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)c1 ZINC001050136206 759778842 /nfs/dbraw/zinc/77/88/42/759778842.db2.gz VQQUBFVAFXYUGC-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)c1 ZINC001050136206 759778847 /nfs/dbraw/zinc/77/88/47/759778847.db2.gz VQQUBFVAFXYUGC-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCN(C)S3(=O)=O)cc2C1 ZINC001054285665 767894339 /nfs/dbraw/zinc/89/43/39/767894339.db2.gz ULIWEOBWOGDKHZ-INIZCTEOSA-N 1 1 349.456 0.838 20 30 ECEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCN(C)S3(=O)=O)cc2C1 ZINC001054285665 767894346 /nfs/dbraw/zinc/89/43/46/767894346.db2.gz ULIWEOBWOGDKHZ-INIZCTEOSA-N 1 1 349.456 0.838 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1=O ZINC000348488224 759843252 /nfs/dbraw/zinc/84/32/52/759843252.db2.gz DCRVKQPANSBCAN-CABCVRRESA-N 1 1 338.452 0.381 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](CC(C)C)CCO2)C1=O ZINC000348500857 759848242 /nfs/dbraw/zinc/84/82/42/759848242.db2.gz ORBLEBJLAQDXBL-KBPBESRZSA-N 1 1 325.409 0.466 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1=O ZINC000348500857 759848250 /nfs/dbraw/zinc/84/82/50/759848250.db2.gz ORBLEBJLAQDXBL-KBPBESRZSA-N 1 1 325.409 0.466 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1 ZINC001050173892 759865572 /nfs/dbraw/zinc/86/55/72/759865572.db2.gz WGCPMOVMQIZXNC-JKSUJKDBSA-N 1 1 328.416 0.416 20 30 ECEDMO C#CCN1Cc2ccc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)cc2C1 ZINC001054292814 767901678 /nfs/dbraw/zinc/90/16/78/767901678.db2.gz VESBOWOWMWFNCH-GOSISDBHSA-N 1 1 327.428 0.972 20 30 ECEDMO C#CCN1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)cc2C1 ZINC001054292814 767901680 /nfs/dbraw/zinc/90/16/80/767901680.db2.gz VESBOWOWMWFNCH-GOSISDBHSA-N 1 1 327.428 0.972 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001017368950 767898601 /nfs/dbraw/zinc/89/86/01/767898601.db2.gz YNTHCAKWDFVVAR-MRXNPFEDSA-N 1 1 341.415 0.869 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054291687 767899203 /nfs/dbraw/zinc/89/92/03/767899203.db2.gz CBBBWKASJBTEMH-INIZCTEOSA-N 1 1 347.440 0.333 20 30 ECEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)N3)cc2C1 ZINC001054291687 767899207 /nfs/dbraw/zinc/89/92/07/767899207.db2.gz CBBBWKASJBTEMH-INIZCTEOSA-N 1 1 347.440 0.333 20 30 ECEDMO Cc1cc(NC/C=C/CNC(=O)[C@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001107094221 759901013 /nfs/dbraw/zinc/90/10/13/759901013.db2.gz XDQSQPFYJLCIEA-QDLOVBKTSA-N 1 1 329.404 0.099 20 30 ECEDMO Cc1cc(NC/C=C/CNC(=O)[C@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001107094221 759901024 /nfs/dbraw/zinc/90/10/24/759901024.db2.gz XDQSQPFYJLCIEA-QDLOVBKTSA-N 1 1 329.404 0.099 20 30 ECEDMO Cc1cc(NC/C=C\CNC(=O)[C@@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001107094222 759901813 /nfs/dbraw/zinc/90/18/13/759901813.db2.gz XDQSQPFYJLCIEA-QGZUEGPWSA-N 1 1 329.404 0.099 20 30 ECEDMO Cc1cc(NC/C=C\CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001107094222 759901815 /nfs/dbraw/zinc/90/18/15/759901815.db2.gz XDQSQPFYJLCIEA-QGZUEGPWSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3nc4nccc(C)n4n3)[C@@H]2C1 ZINC001050192324 759906948 /nfs/dbraw/zinc/90/69/48/759906948.db2.gz DSDFVYXTHXYPTB-LSDHHAIUSA-N 1 1 338.415 0.992 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)CN3CCOCC3)[C@@H]2C1 ZINC001050202658 759931419 /nfs/dbraw/zinc/93/14/19/759931419.db2.gz SGRCOEXLABLEDS-OKZBNKHCSA-N 1 1 333.476 0.901 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)[C@@H](O)C1 ZINC001083636034 759958514 /nfs/dbraw/zinc/95/85/14/759958514.db2.gz ZSEZCVHCXMBBEO-CLWJZODNSA-N 1 1 340.423 0.911 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)[C@@H](O)C1 ZINC001083636034 759958519 /nfs/dbraw/zinc/95/85/19/759958519.db2.gz ZSEZCVHCXMBBEO-CLWJZODNSA-N 1 1 340.423 0.911 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CC34CCOCC4)C2)C1=O ZINC001032231424 759990274 /nfs/dbraw/zinc/99/02/74/759990274.db2.gz IKTMFASSFPIJNM-HZPDHXFCSA-N 1 1 347.459 0.638 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001012440459 760007052 /nfs/dbraw/zinc/00/70/52/760007052.db2.gz FMRCVJYKUYWIBQ-FZMZJTMJSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=C)C)nn2)C1 ZINC001098672845 760028034 /nfs/dbraw/zinc/02/80/34/760028034.db2.gz JMJSXGBKKZYYNO-ZBFHGGJFSA-N 1 1 331.420 0.756 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001050297178 760077969 /nfs/dbraw/zinc/07/79/69/760077969.db2.gz LLRNLJNSEZFHPH-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001050298574 760081322 /nfs/dbraw/zinc/08/13/22/760081322.db2.gz WHCPSLJCJWOPEZ-GJZGRUSLSA-N 1 1 325.453 0.882 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CC[C@H](NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001050341169 760151627 /nfs/dbraw/zinc/15/16/27/760151627.db2.gz QPFFDZKSKOLALL-IHRRRGAJSA-N 1 1 346.435 0.470 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)[C@@H]2C)C1 ZINC001050347274 760157007 /nfs/dbraw/zinc/15/70/07/760157007.db2.gz ZABYREJOGMAAAC-HZSPNIEDSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)[C@@H]2C)C1 ZINC001050347274 760157012 /nfs/dbraw/zinc/15/70/12/760157012.db2.gz ZABYREJOGMAAAC-HZSPNIEDSA-N 1 1 344.419 0.152 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083722991 767954795 /nfs/dbraw/zinc/95/47/95/767954795.db2.gz QDFVUOAVLPPCOP-SQNIBIBYSA-N 1 1 333.476 0.968 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2csc(-c3ncc[nH]3)n2)[C@@H](O)C1 ZINC001083653936 760601686 /nfs/dbraw/zinc/60/16/86/760601686.db2.gz LQLMUWUQHSFBOF-PWSUYJOCSA-N 1 1 333.417 0.884 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2csc(-c3ncc[nH]3)n2)[C@@H](O)C1 ZINC001083653936 760601694 /nfs/dbraw/zinc/60/16/94/760601694.db2.gz LQLMUWUQHSFBOF-PWSUYJOCSA-N 1 1 333.417 0.884 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)O ZINC001048532898 760671990 /nfs/dbraw/zinc/67/19/90/760671990.db2.gz KLUVGWWTXJVQIW-SFFUCWETSA-N 1 1 333.476 0.824 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)c3cccnc32)[C@@H](O)C1 ZINC001083660409 760719525 /nfs/dbraw/zinc/71/95/25/760719525.db2.gz WHGGDKZSCHFYBO-CVEARBPZSA-N 1 1 343.431 0.867 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCc3nnnn3CC1)C2 ZINC001048566886 760729566 /nfs/dbraw/zinc/72/95/66/760729566.db2.gz LYJPZUDQAWJCSE-LVQVYYBASA-N 1 1 342.447 0.618 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3n[nH]nc3C1)C2 ZINC001048581981 760752166 /nfs/dbraw/zinc/75/21/66/760752166.db2.gz BHNRHWQTWNMPDJ-XQLPTFJDSA-N 1 1 327.432 0.902 20 30 ECEDMO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3[nH]nnc3C1)C2 ZINC001048581981 760752167 /nfs/dbraw/zinc/75/21/67/760752167.db2.gz BHNRHWQTWNMPDJ-XQLPTFJDSA-N 1 1 327.432 0.902 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3[nH]nnc3C1)C2 ZINC001048581981 760752169 /nfs/dbraw/zinc/75/21/69/760752169.db2.gz BHNRHWQTWNMPDJ-XQLPTFJDSA-N 1 1 327.432 0.902 20 30 ECEDMO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3nn[nH]c3C1)C2 ZINC001048581981 760752173 /nfs/dbraw/zinc/75/21/73/760752173.db2.gz BHNRHWQTWNMPDJ-XQLPTFJDSA-N 1 1 327.432 0.902 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCc3nn[nH]c3C1)C2 ZINC001048581981 760752177 /nfs/dbraw/zinc/75/21/77/760752177.db2.gz BHNRHWQTWNMPDJ-XQLPTFJDSA-N 1 1 327.432 0.902 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001050734989 760754686 /nfs/dbraw/zinc/75/46/86/760754686.db2.gz DUJJGAAHNNALMX-CVEARBPZSA-N 1 1 346.431 0.585 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C2 ZINC001048588279 760760760 /nfs/dbraw/zinc/76/07/60/760760760.db2.gz RDQBNCYZXSVZQZ-QDMKHBRRSA-N 1 1 328.416 0.776 20 30 ECEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001048589265 760764037 /nfs/dbraw/zinc/76/40/37/760764037.db2.gz FNBNRQVHEDNPRV-YVSFHVDLSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001048590242 760766163 /nfs/dbraw/zinc/76/61/63/760766163.db2.gz SNRUYCMULMPFED-YYIAUSFCSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2nnc(C)o2)C(C)(C)C1 ZINC000995923075 760783926 /nfs/dbraw/zinc/78/39/26/760783926.db2.gz LITXDVYIRQKTST-LSDHHAIUSA-N 1 1 345.447 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2nnc(C)o2)C(C)(C)C1 ZINC000995923075 760783936 /nfs/dbraw/zinc/78/39/36/760783936.db2.gz LITXDVYIRQKTST-LSDHHAIUSA-N 1 1 345.447 0.802 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccoc2)[C@@H](O)C1 ZINC001083665337 760800173 /nfs/dbraw/zinc/80/01/73/760800173.db2.gz AQHUOJCZTYFSDO-CABCVRRESA-N 1 1 328.372 0.478 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccoc2)[C@@H](O)C1 ZINC001083665337 760800184 /nfs/dbraw/zinc/80/01/84/760800184.db2.gz AQHUOJCZTYFSDO-CABCVRRESA-N 1 1 328.372 0.478 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C[C@H]4CCCO4)C[C@H]3C2)C1=O ZINC001048695069 760957199 /nfs/dbraw/zinc/95/71/99/760957199.db2.gz FJTWKNSWUYZLAF-YYIAUSFCSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1O ZINC001048712446 760999176 /nfs/dbraw/zinc/99/91/76/760999176.db2.gz UIOJUJZSCJHXLS-IKGGRYGDSA-N 1 1 349.475 0.552 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048749718 761107788 /nfs/dbraw/zinc/10/77/88/761107788.db2.gz LSUYLRXWYLJACV-WCFLWFBJSA-N 1 1 340.391 0.175 20 30 ECEDMO C[C@@H](c1nnnn1C)[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048749718 761107793 /nfs/dbraw/zinc/10/77/93/761107793.db2.gz LSUYLRXWYLJACV-WCFLWFBJSA-N 1 1 340.391 0.175 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048749704 761107912 /nfs/dbraw/zinc/10/79/12/761107912.db2.gz LEOQDAYHPFBJEF-BNOWGMLFSA-N 1 1 341.415 0.557 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@H]12 ZINC000991473407 761111237 /nfs/dbraw/zinc/11/12/37/761111237.db2.gz OHWKTPYQQIEDPY-MAUKXSAKSA-N 1 1 334.464 0.450 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C ZINC001051027570 761360067 /nfs/dbraw/zinc/36/00/67/761360067.db2.gz WUTKLHMIRDCUNN-MCIONIFRSA-N 1 1 328.420 0.916 20 30 ECEDMO CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001051110091 761507988 /nfs/dbraw/zinc/50/79/88/761507988.db2.gz BFLJOHXQFJDWMP-DOTOQJQBSA-N 1 1 330.432 0.594 20 30 ECEDMO C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001051111105 761509085 /nfs/dbraw/zinc/50/90/85/761509085.db2.gz NCDCWXXQCXYUQY-NVXWUHKLSA-N 1 1 330.432 0.594 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1Cl ZINC001105756399 761537821 /nfs/dbraw/zinc/53/78/21/761537821.db2.gz UNKAQRSKGDOINO-WCQYABFASA-N 1 1 337.811 0.590 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CCOCC2)nn1 ZINC001051156701 761580530 /nfs/dbraw/zinc/58/05/30/761580530.db2.gz XANNXWLJQYYVKX-HNNXBMFYSA-N 1 1 349.435 0.321 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2COCC[N@H+]2CC2CCOCC2)nn1 ZINC001051156701 761580538 /nfs/dbraw/zinc/58/05/38/761580538.db2.gz XANNXWLJQYYVKX-HNNXBMFYSA-N 1 1 349.435 0.321 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2F)[C@@H]1C ZINC001051195787 761665636 /nfs/dbraw/zinc/66/56/36/761665636.db2.gz DGPQVHMYQDPKIE-RDBSUJKOSA-N 1 1 331.395 0.797 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2F)[C@@H]1C ZINC001051195787 761665638 /nfs/dbraw/zinc/66/56/38/761665638.db2.gz DGPQVHMYQDPKIE-RDBSUJKOSA-N 1 1 331.395 0.797 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C ZINC001051196094 761666729 /nfs/dbraw/zinc/66/67/29/761666729.db2.gz HFGNFRYJMDKBPQ-KBMXLJTQSA-N 1 1 338.415 0.529 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C ZINC001051196094 761666731 /nfs/dbraw/zinc/66/67/31/761666731.db2.gz HFGNFRYJMDKBPQ-KBMXLJTQSA-N 1 1 338.415 0.529 20 30 ECEDMO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@H]3COC(=O)N3)cccc2C1 ZINC001051287335 761829581 /nfs/dbraw/zinc/82/95/81/761829581.db2.gz SNGAVNHJVKVHBI-MRXNPFEDSA-N 1 1 327.384 0.793 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2cccc3c2CCN(CC#N)C3)O1 ZINC001051293353 761840963 /nfs/dbraw/zinc/84/09/63/761840963.db2.gz SBJVPYZCVBOHBJ-RDTXWAMCSA-N 1 1 342.443 0.904 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2cccc3c2CCN(CC#N)C3)O1 ZINC001051293353 761840972 /nfs/dbraw/zinc/84/09/72/761840972.db2.gz SBJVPYZCVBOHBJ-RDTXWAMCSA-N 1 1 342.443 0.904 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)nn1 ZINC001054606002 768075774 /nfs/dbraw/zinc/07/57/74/768075774.db2.gz UWAGLLKUULIILR-ABAIWWIYSA-N 1 1 327.392 0.748 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H](C)NC(N)=O)C2)nn1 ZINC001098676764 762709404 /nfs/dbraw/zinc/70/94/04/762709404.db2.gz VJVXSXLCMRYDIV-TZMCWYRMSA-N 1 1 349.439 0.164 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnn3CCC)C2)C1=O ZINC001014586456 762866881 /nfs/dbraw/zinc/86/68/81/762866881.db2.gz MISZURSQSCMVHA-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccnn3CCC)C2)C1=O ZINC001014586456 762866889 /nfs/dbraw/zinc/86/68/89/762866889.db2.gz MISZURSQSCMVHA-ZBFHGGJFSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001051756257 762888065 /nfs/dbraw/zinc/88/80/65/762888065.db2.gz OLWOBNCNRHLNGO-ZDUSSCGKSA-N 1 1 339.415 0.777 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H](C)OC)CC1 ZINC001017536292 768092488 /nfs/dbraw/zinc/09/24/88/768092488.db2.gz HAZWZHWPSGYWQI-ZBFHGGJFSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H](C)OC)CC1 ZINC001017536292 768092493 /nfs/dbraw/zinc/09/24/93/768092493.db2.gz HAZWZHWPSGYWQI-ZBFHGGJFSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2cn[nH]c2)CC1 ZINC001017537995 768093660 /nfs/dbraw/zinc/09/36/60/768093660.db2.gz QIPXBJCCFCKDFY-INIZCTEOSA-N 1 1 341.415 0.396 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)c2cn[nH]c2)CC1 ZINC001017537995 768093667 /nfs/dbraw/zinc/09/36/67/768093667.db2.gz QIPXBJCCFCKDFY-INIZCTEOSA-N 1 1 341.415 0.396 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017549698 768105451 /nfs/dbraw/zinc/10/54/51/768105451.db2.gz KSQZAYPTQZEBMO-MELADBBJSA-N 1 1 329.404 0.624 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017549698 768105453 /nfs/dbraw/zinc/10/54/53/768105453.db2.gz KSQZAYPTQZEBMO-MELADBBJSA-N 1 1 329.404 0.624 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NCC1=CCN(c2nccnc2C#N)CC1 ZINC001127654945 763106989 /nfs/dbraw/zinc/10/69/89/763106989.db2.gz WFIWINFBBKFKPO-UHFFFAOYSA-N 1 1 328.420 0.941 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001046779624 763113611 /nfs/dbraw/zinc/11/36/11/763113611.db2.gz WBBZVXICTBIEBP-KSSFIOAISA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001046779624 763113620 /nfs/dbraw/zinc/11/36/20/763113620.db2.gz WBBZVXICTBIEBP-KSSFIOAISA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CCN3CCCC3=O)C2)cn1 ZINC001046779479 763113805 /nfs/dbraw/zinc/11/38/05/763113805.db2.gz UGHUGJJGEGKUBZ-IBGZPJMESA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCCC3)C2)cn1 ZINC001046779312 763114228 /nfs/dbraw/zinc/11/42/28/763114228.db2.gz QUFRCARGIOUCHF-IBGZPJMESA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCCC3)C2)cn1 ZINC001046779312 763114229 /nfs/dbraw/zinc/11/42/29/763114229.db2.gz QUFRCARGIOUCHF-IBGZPJMESA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001046783204 763119979 /nfs/dbraw/zinc/11/99/79/763119979.db2.gz KOQFGYXEXCZHFE-YJYMSZOUSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001046783204 763119982 /nfs/dbraw/zinc/11/99/82/763119982.db2.gz KOQFGYXEXCZHFE-YJYMSZOUSA-N 1 1 340.427 0.924 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)cn1 ZINC001089841380 763121974 /nfs/dbraw/zinc/12/19/74/763121974.db2.gz FPVYYDLFWWKAAI-HWMZRRJGSA-N 1 1 340.427 0.586 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(CC)s2)C1 ZINC001014774006 763131662 /nfs/dbraw/zinc/13/16/62/763131662.db2.gz AREZYEXJVUGEET-KBPBESRZSA-N 1 1 347.488 0.889 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(CC)s2)C1 ZINC001014774006 763131669 /nfs/dbraw/zinc/13/16/69/763131669.db2.gz AREZYEXJVUGEET-KBPBESRZSA-N 1 1 347.488 0.889 20 30 ECEDMO Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C#N)cn1 ZINC001105972833 763135615 /nfs/dbraw/zinc/13/56/15/763135615.db2.gz QOKIOBAMGJAPCY-NVXWUHKLSA-N 1 1 345.447 0.445 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001105973183 763139547 /nfs/dbraw/zinc/13/95/47/763139547.db2.gz VZKQWFYHXCNTNN-GJZGRUSLSA-N 1 1 331.420 0.715 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C)n1 ZINC001089847584 763156429 /nfs/dbraw/zinc/15/64/29/763156429.db2.gz VTFTZXKWVLFMKU-XQLPTFJDSA-N 1 1 330.436 0.959 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)cc1 ZINC001089852407 763173424 /nfs/dbraw/zinc/17/34/24/763173424.db2.gz FECKABQZWTVYCI-NXOAAHMSSA-N 1 1 338.411 0.712 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)s1 ZINC001089852773 763176593 /nfs/dbraw/zinc/17/65/93/763176593.db2.gz KGAHKQRJDADBNP-QOWREQOWSA-N 1 1 344.440 0.774 20 30 ECEDMO Cc1nc(NC2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001051878665 763188587 /nfs/dbraw/zinc/18/85/87/763188587.db2.gz KUSQHLOEULPYHX-AVVWSFFYSA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1nc(NC2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001051878665 763188590 /nfs/dbraw/zinc/18/85/90/763188590.db2.gz KUSQHLOEULPYHX-AVVWSFFYSA-N 1 1 343.431 0.899 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001105982500 763230790 /nfs/dbraw/zinc/23/07/90/763230790.db2.gz POICNOORVWZSME-HUUCEWRRSA-N 1 1 346.435 0.500 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001046874701 763280072 /nfs/dbraw/zinc/28/00/72/763280072.db2.gz AYLGCLVOLKBKPL-DYVFJYSZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3[nH]cnc3C)C2)C1=O ZINC001046874701 763280074 /nfs/dbraw/zinc/28/00/74/763280074.db2.gz AYLGCLVOLKBKPL-DYVFJYSZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3nonc3C)C2)C1=O ZINC001046876901 763284415 /nfs/dbraw/zinc/28/44/15/763284415.db2.gz KPVDGMXQAGJWBH-WBMJQRKESA-N 1 1 333.392 0.359 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3nonc3C)C2)C1=O ZINC001046876901 763284421 /nfs/dbraw/zinc/28/44/21/763284421.db2.gz KPVDGMXQAGJWBH-WBMJQRKESA-N 1 1 333.392 0.359 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)cc1 ZINC001014861827 763324514 /nfs/dbraw/zinc/32/45/14/763324514.db2.gz XVFJTGHYLKZQQP-JKSUJKDBSA-N 1 1 326.400 0.917 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@](C)(C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001046900355 763343716 /nfs/dbraw/zinc/34/37/16/763343716.db2.gz BWUWBAJUAZZFAQ-LPHOPBHVSA-N 1 1 346.475 0.048 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001106921688 763347519 /nfs/dbraw/zinc/34/75/19/763347519.db2.gz REYBUHDRKFBQIO-AWEZNQCLSA-N 1 1 346.435 0.140 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001106921688 763347526 /nfs/dbraw/zinc/34/75/26/763347526.db2.gz REYBUHDRKFBQIO-AWEZNQCLSA-N 1 1 346.435 0.140 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC000940547420 763407289 /nfs/dbraw/zinc/40/72/89/763407289.db2.gz FXLMCWYWJRYVMQ-MRXNPFEDSA-N 1 1 337.383 0.599 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001046930987 763409047 /nfs/dbraw/zinc/40/90/47/763409047.db2.gz NZPCDPPCTZRLIM-UONOGXRCSA-N 1 1 329.391 0.414 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001046930987 763409051 /nfs/dbraw/zinc/40/90/51/763409051.db2.gz NZPCDPPCTZRLIM-UONOGXRCSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3CCCCN3C)C2)CC1 ZINC000995084644 763418744 /nfs/dbraw/zinc/41/87/44/763418744.db2.gz DUIQGUQPRCGYNE-KRWDZBQOSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2c(C)nn(C)c2Cl)C1 ZINC001030461968 763433183 /nfs/dbraw/zinc/43/31/83/763433183.db2.gz FDRQXAWRUJEVQS-HNNXBMFYSA-N 1 1 349.866 0.780 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2c(C)nn(C)c2Cl)C1 ZINC001030461968 763433189 /nfs/dbraw/zinc/43/31/89/763433189.db2.gz FDRQXAWRUJEVQS-HNNXBMFYSA-N 1 1 349.866 0.780 20 30 ECEDMO NC(=O)[C@H]1CC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031897679 763439233 /nfs/dbraw/zinc/43/92/33/763439233.db2.gz VNMCSXKGPJTXSC-DLBZAZTESA-N 1 1 325.412 0.598 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCC1(F)F ZINC001046947490 763439879 /nfs/dbraw/zinc/43/98/79/763439879.db2.gz RWLMXPDXWQPYCY-KGLIPLIRSA-N 1 1 329.391 0.150 20 30 ECEDMO C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001040926405 763472134 /nfs/dbraw/zinc/47/21/34/763472134.db2.gz ZDLVDZBSTNHNNF-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046963860 763474145 /nfs/dbraw/zinc/47/41/45/763474145.db2.gz VRVQMOUIFOAYNO-NEPJUHHUSA-N 1 1 330.379 0.660 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 ZINC001046967476 763482633 /nfs/dbraw/zinc/48/26/33/763482633.db2.gz RGAONDRRMMEWBJ-LLVKDONJSA-N 1 1 339.342 0.628 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 ZINC001046967476 763482636 /nfs/dbraw/zinc/48/26/36/763482636.db2.gz RGAONDRRMMEWBJ-LLVKDONJSA-N 1 1 339.342 0.628 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)c1 ZINC000995096629 763499151 /nfs/dbraw/zinc/49/91/51/763499151.db2.gz MFIOOLWISUGYDL-ZFWWWQNUSA-N 1 1 339.403 0.275 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCOC)CCC2(F)F)nn1 ZINC001046978403 763499336 /nfs/dbraw/zinc/49/93/36/763499336.db2.gz RWVYGVORZOACES-GFCCVEGCSA-N 1 1 343.378 0.798 20 30 ECEDMO C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001046981943 763504428 /nfs/dbraw/zinc/50/44/28/763504428.db2.gz UXFLRDCDBFJMEW-QWRGUYRKSA-N 1 1 344.362 0.234 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046994075 763531612 /nfs/dbraw/zinc/53/16/12/763531612.db2.gz HBNZLZMEQLUMKU-LBPRGKRZSA-N 1 1 342.390 0.987 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046994852 763533061 /nfs/dbraw/zinc/53/30/61/763533061.db2.gz HKDVJAGWJMSVAH-LBPRGKRZSA-N 1 1 338.358 0.491 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046994852 763533065 /nfs/dbraw/zinc/53/30/65/763533065.db2.gz HKDVJAGWJMSVAH-LBPRGKRZSA-N 1 1 338.358 0.491 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)CC1 ZINC001052004254 763566868 /nfs/dbraw/zinc/56/68/68/763566868.db2.gz JAIZAQHZRHXBHR-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc(C)n[nH]3)C2)CC1 ZINC001052011600 763582526 /nfs/dbraw/zinc/58/25/26/763582526.db2.gz WEVJULYEUIYZNP-QGZVFWFLSA-N 1 1 329.448 0.502 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3nnc(C)o3)C2)CC1 ZINC001052022200 763606380 /nfs/dbraw/zinc/60/63/80/763606380.db2.gz JJEYSPCUXURZGH-OAHLLOKOSA-N 1 1 331.420 0.162 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](Nc3nccnc3C#N)C2)CC[N@H+]1C ZINC001047065582 763616598 /nfs/dbraw/zinc/61/65/98/763616598.db2.gz MPKXLZLOLABQMY-AAVRWANBSA-N 1 1 328.420 0.995 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccncc3C)C2)CC1 ZINC001052027392 763621414 /nfs/dbraw/zinc/62/14/14/763621414.db2.gz FQLLYUFQCIFLPY-GOSISDBHSA-N 1 1 326.444 0.784 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C2)CC1 ZINC001052033340 763636196 /nfs/dbraw/zinc/63/61/96/763636196.db2.gz PVWTVHSXJRDWCK-OAHLLOKOSA-N 1 1 338.415 0.423 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nn(C)cc3Cl)C2)CC1 ZINC001052033688 763637711 /nfs/dbraw/zinc/63/77/11/763637711.db2.gz SIRRRKNPKFNCFI-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052035622 763643611 /nfs/dbraw/zinc/64/36/11/763643611.db2.gz LWNLRTOVNQYCQE-DLBZAZTESA-N 1 1 333.480 0.603 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc4ccnn43)C2)CC1 ZINC001052036797 763651127 /nfs/dbraw/zinc/65/11/27/763651127.db2.gz VOIBUAUBUBTECH-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CCN(CCF)CC2)C1 ZINC001052037948 763656368 /nfs/dbraw/zinc/65/63/68/763656368.db2.gz VNRQLXVODHZCSA-IRXDYDNUSA-N 1 1 336.455 0.272 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CCN(CCF)CC2)C1 ZINC001052037948 763656372 /nfs/dbraw/zinc/65/63/72/763656372.db2.gz VNRQLXVODHZCSA-IRXDYDNUSA-N 1 1 336.455 0.272 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1OC ZINC001212185232 763656706 /nfs/dbraw/zinc/65/67/06/763656706.db2.gz PZKKCSLSZRRBHL-GVDBMIGSSA-N 1 1 338.448 0.801 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)CC1 ZINC001052045146 763682406 /nfs/dbraw/zinc/68/24/06/763682406.db2.gz QLWIRMZHXXPRKD-DLBZAZTESA-N 1 1 341.459 0.297 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045442 763683272 /nfs/dbraw/zinc/68/32/72/763683272.db2.gz SXBAVNIAHMCKQW-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cccnc3C)C2)C1=O ZINC001031940250 763689275 /nfs/dbraw/zinc/68/92/75/763689275.db2.gz PYSANYFHYIJBIV-MRXNPFEDSA-N 1 1 328.416 0.839 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)CC1 ZINC001052047902 763692767 /nfs/dbraw/zinc/69/27/67/763692767.db2.gz FGDXYQUCAHKWIL-INIZCTEOSA-N 1 1 330.432 0.403 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)CC1 ZINC001052047902 763692771 /nfs/dbraw/zinc/69/27/71/763692771.db2.gz FGDXYQUCAHKWIL-INIZCTEOSA-N 1 1 330.432 0.403 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(N(C)C)nc3)C2)CC1 ZINC001052047992 763693664 /nfs/dbraw/zinc/69/36/64/763693664.db2.gz ICGJYYHIKZVBTK-KRWDZBQOSA-N 1 1 341.459 0.613 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Cl)n(C)n3)C2)CC1 ZINC001052048864 763698996 /nfs/dbraw/zinc/69/89/96/763698996.db2.gz DUMCECGBBKXLJL-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001052050635 763706738 /nfs/dbraw/zinc/70/67/38/763706738.db2.gz LMCLKOCPPOFWSP-OCCSQVGLSA-N 1 1 349.460 0.659 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052051920 763713210 /nfs/dbraw/zinc/71/32/10/763713210.db2.gz FYJHCJHMOOEXGG-MRXNPFEDSA-N 1 1 328.416 0.181 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(Cl)n3C)C2)CC1 ZINC001052052506 763715303 /nfs/dbraw/zinc/71/53/03/763715303.db2.gz OICCPFVXIRLCMU-ZDUSSCGKSA-N 1 1 335.839 0.539 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2nc(=O)n(C)[nH]2)C3)C1 ZINC001047142180 763718297 /nfs/dbraw/zinc/71/82/97/763718297.db2.gz DJBJXQGQWKXESL-MJBXVCDLSA-N 1 1 345.447 0.934 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)ccc1F ZINC001015040841 763731050 /nfs/dbraw/zinc/73/10/50/763731050.db2.gz BNLAOGURVFPMAS-HIFRSBDPSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)ccc1F ZINC001015040841 763731054 /nfs/dbraw/zinc/73/10/54/763731054.db2.gz BNLAOGURVFPMAS-HIFRSBDPSA-N 1 1 344.390 0.914 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC001052058283 763733054 /nfs/dbraw/zinc/73/30/54/763733054.db2.gz WIJDTPAOTUFKIW-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC001052058283 763733062 /nfs/dbraw/zinc/73/30/62/763733062.db2.gz WIJDTPAOTUFKIW-HOTGVXAUSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)c3cncnc3)C2)CC1 ZINC001052070025 763766669 /nfs/dbraw/zinc/76/66/69/763766669.db2.gz ATEOTKWRPHDNJR-WBVHZDCISA-N 1 1 329.448 0.985 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3cncnc3)C2)CC1 ZINC001052070025 763766678 /nfs/dbraw/zinc/76/66/78/763766678.db2.gz ATEOTKWRPHDNJR-WBVHZDCISA-N 1 1 329.448 0.985 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccoc3CC(N)=O)C2)CC1 ZINC001052070289 763768641 /nfs/dbraw/zinc/76/86/41/763768641.db2.gz GKDNGJATWDIXOP-CQSZACIVSA-N 1 1 346.431 0.326 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cn(C)nc3Cl)C2)CC1 ZINC001052082037 763800273 /nfs/dbraw/zinc/80/02/73/763800273.db2.gz IVGJTUTUYCBHDI-HNNXBMFYSA-N 1 1 349.866 0.468 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nccn4ccnc34)C2)CC1 ZINC001052085477 763811850 /nfs/dbraw/zinc/81/18/50/763811850.db2.gz FQQDJKYMBVKEOG-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nccn4ccnc34)C2)CC1 ZINC001052085477 763811856 /nfs/dbraw/zinc/81/18/56/763811856.db2.gz FQQDJKYMBVKEOG-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nccc4[nH]ccc43)C2)CC1 ZINC001052086206 763813797 /nfs/dbraw/zinc/81/37/97/763813797.db2.gz OVJYIPHYTHWIJO-CQSZACIVSA-N 1 1 338.415 0.919 20 30 ECEDMO C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3c[nH]nn3)C2)CC1 ZINC001052086947 763816483 /nfs/dbraw/zinc/81/64/83/763816483.db2.gz LORPIBHGHZGDJK-MRXNPFEDSA-N 1 1 332.452 0.532 20 30 ECEDMO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c(=O)[nH]1 ZINC001052087302 763817464 /nfs/dbraw/zinc/81/74/64/763817464.db2.gz RJUWEEPADMTFDK-CQSZACIVSA-N 1 1 329.404 0.451 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)CC1 ZINC001052087378 763818346 /nfs/dbraw/zinc/81/83/46/763818346.db2.gz UWTCYCZICDGMAZ-OAHLLOKOSA-N 1 1 329.448 0.998 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)c3CC)C2)C1=O ZINC001015080865 763834622 /nfs/dbraw/zinc/83/46/22/763834622.db2.gz KBXZKUKBTYTWSL-XJKSGUPXSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)c3CC)C2)C1=O ZINC001015080865 763834626 /nfs/dbraw/zinc/83/46/26/763834626.db2.gz KBXZKUKBTYTWSL-XJKSGUPXSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)CC1 ZINC001052093518 763838293 /nfs/dbraw/zinc/83/82/93/763838293.db2.gz QOZAZQMBCDADDP-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)nc(C)n3)C2)CC1 ZINC001052097037 763848940 /nfs/dbraw/zinc/84/89/40/763848940.db2.gz TWEJUYWOYBKAJY-KRWDZBQOSA-N 1 1 341.459 0.949 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC3)C2)cc1C#N ZINC001047273622 763858331 /nfs/dbraw/zinc/85/83/31/763858331.db2.gz PIQJHRBACLKKRG-HOTGVXAUSA-N 1 1 329.400 0.980 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CC3)C2)cc1C#N ZINC001047273622 763858337 /nfs/dbraw/zinc/85/83/37/763858337.db2.gz PIQJHRBACLKKRG-HOTGVXAUSA-N 1 1 329.400 0.980 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3coc(COC)n3)C2)CC1 ZINC001052104074 763871638 /nfs/dbraw/zinc/87/16/38/763871638.db2.gz XLFKBHOSVNRFSC-OAHLLOKOSA-N 1 1 346.431 0.676 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106344438 768171617 /nfs/dbraw/zinc/17/16/17/768171617.db2.gz MVYYRAVRCFUWHV-TZMCWYRMSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2cncc(C#N)n2)C1 ZINC001106344438 768171622 /nfs/dbraw/zinc/17/16/22/768171622.db2.gz MVYYRAVRCFUWHV-TZMCWYRMSA-N 1 1 332.408 0.376 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)CC1 ZINC001052105901 763877342 /nfs/dbraw/zinc/87/73/42/763877342.db2.gz UXIFWJZFMCBMGY-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106232 763879703 /nfs/dbraw/zinc/87/97/03/763879703.db2.gz GDQDTWOXBKWJCE-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106270 763879872 /nfs/dbraw/zinc/87/98/72/763879872.db2.gz GXAOJAQMNQOPPW-HKUYNNGSSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3ccsc3)C2)CC1 ZINC001052108274 763890076 /nfs/dbraw/zinc/89/00/76/763890076.db2.gz LSDUFQSIABWQGR-OAHLLOKOSA-N 1 1 333.457 0.979 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC001052112780 763907472 /nfs/dbraw/zinc/90/74/72/763907472.db2.gz DDBZMZLIUBFRMM-QGZVFWFLSA-N 1 1 327.428 0.917 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)CC1 ZINC001052114510 763916575 /nfs/dbraw/zinc/91/65/75/763916575.db2.gz LZJKWSNDRLKTOM-MRXNPFEDSA-N 1 1 328.416 0.643 20 30 ECEDMO CCc1nc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cs1 ZINC001052118992 763935290 /nfs/dbraw/zinc/93/52/90/763935290.db2.gz GAEYQAJBQQPRHG-HNNXBMFYSA-N 1 1 347.488 0.990 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121840 763943344 /nfs/dbraw/zinc/94/33/44/763943344.db2.gz IMZXINWROOZOLE-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)c1cnn(C)c1 ZINC001052123429 763948195 /nfs/dbraw/zinc/94/81/95/763948195.db2.gz ILDBBSZSPXKYHW-GDBMZVCRSA-N 1 1 330.436 0.266 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001047310014 763950763 /nfs/dbraw/zinc/95/07/63/763950763.db2.gz JERNPWWUVXTDBL-MELADBBJSA-N 1 1 328.420 0.997 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123901 763951106 /nfs/dbraw/zinc/95/11/06/763951106.db2.gz SUDKNSJOARJCRF-FUHWJXTLSA-N 1 1 343.475 0.765 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC(Nc3cnc(C#N)cn3)C2)O1 ZINC001052124143 763951872 /nfs/dbraw/zinc/95/18/72/763951872.db2.gz DOAKBMDMWMCKSF-XZNOPERXSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC(Nc3cnc(C#N)cn3)C2)O1 ZINC001052124143 763951877 /nfs/dbraw/zinc/95/18/77/763951877.db2.gz DOAKBMDMWMCKSF-XZNOPERXSA-N 1 1 344.419 0.374 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C3CCOCC3)C2)CC1 ZINC001052127340 763955798 /nfs/dbraw/zinc/95/57/98/763955798.db2.gz VUPHXCKCBUVBNL-SJLPKXTDSA-N 1 1 333.476 0.901 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3cccn3)CC2)C1=O ZINC001052200930 764043496 /nfs/dbraw/zinc/04/34/96/764043496.db2.gz IYPXZVDOYVSMET-JKSUJKDBSA-N 1 1 345.447 0.641 20 30 ECEDMO Cc1noc(C)c1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047338447 764047814 /nfs/dbraw/zinc/04/78/14/764047814.db2.gz XOPQRVHWVMDZKD-HOTGVXAUSA-N 1 1 343.387 0.809 20 30 ECEDMO Cc1noc(C)c1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047338447 764047817 /nfs/dbraw/zinc/04/78/17/764047817.db2.gz XOPQRVHWVMDZKD-HOTGVXAUSA-N 1 1 343.387 0.809 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001047353863 764089772 /nfs/dbraw/zinc/08/97/72/764089772.db2.gz NOYLNELHSYDFBM-KCXAZCMYSA-N 1 1 332.404 0.430 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001047376530 764157768 /nfs/dbraw/zinc/15/77/68/764157768.db2.gz OHZKLNAKAIKLRW-IRXDYDNUSA-N 1 1 341.415 0.556 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001047376530 764157775 /nfs/dbraw/zinc/15/77/75/764157775.db2.gz OHZKLNAKAIKLRW-IRXDYDNUSA-N 1 1 341.415 0.556 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001047380563 764170167 /nfs/dbraw/zinc/17/01/67/764170167.db2.gz PDQRXZNMIRFHRT-BPUTZDHNSA-N 1 1 332.375 0.514 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001047380563 764170172 /nfs/dbraw/zinc/17/01/72/764170172.db2.gz PDQRXZNMIRFHRT-BPUTZDHNSA-N 1 1 332.375 0.514 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047388037 764186287 /nfs/dbraw/zinc/18/62/87/764186287.db2.gz YQPGJVUTTVCZQX-KKUMJFAQSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047388037 764186291 /nfs/dbraw/zinc/18/62/91/764186291.db2.gz YQPGJVUTTVCZQX-KKUMJFAQSA-N 1 1 335.448 0.160 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001047393207 764199029 /nfs/dbraw/zinc/19/90/29/764199029.db2.gz ZOZVVHMUXFAPRN-RYUDHWBXSA-N 1 1 344.337 0.579 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001047393949 764201593 /nfs/dbraw/zinc/20/15/93/764201593.db2.gz CHIXCFXGQGOHOE-HOTGVXAUSA-N 1 1 329.400 0.874 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001106059936 764208211 /nfs/dbraw/zinc/20/82/11/764208211.db2.gz LTSALKUCCQJRQI-KGLIPLIRSA-N 1 1 346.435 0.284 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001047398125 764213802 /nfs/dbraw/zinc/21/38/02/764213802.db2.gz DPWMBZMCJYJKSN-PMPSAXMXSA-N 1 1 337.464 0.571 20 30 ECEDMO C=CCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001047403264 764232052 /nfs/dbraw/zinc/23/20/52/764232052.db2.gz DRBKTMPXAJYIJE-JYJNAYRXSA-N 1 1 346.431 0.890 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C ZINC001106984763 764236988 /nfs/dbraw/zinc/23/69/88/764236988.db2.gz YTYOVGBRWXAHDD-OWCLPIDISA-N 1 1 336.480 0.457 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C3CC3)n(CC)n2)C1 ZINC001047406224 764242181 /nfs/dbraw/zinc/24/21/81/764242181.db2.gz SZBNLRDJHJWACN-IRXDYDNUSA-N 1 1 330.432 0.921 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C3CC3)n(CC)n2)C1 ZINC001047406224 764242184 /nfs/dbraw/zinc/24/21/84/764242184.db2.gz SZBNLRDJHJWACN-IRXDYDNUSA-N 1 1 330.432 0.921 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001047410368 764258891 /nfs/dbraw/zinc/25/88/91/764258891.db2.gz JBRNHKDMFIOHQQ-ULQDDVLXSA-N 1 1 343.427 0.593 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001047413103 764267090 /nfs/dbraw/zinc/26/70/90/764267090.db2.gz WKBQVAISCJCYOR-TXPKVOOTSA-N 1 1 347.459 0.210 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001047413103 764267097 /nfs/dbraw/zinc/26/70/97/764267097.db2.gz WKBQVAISCJCYOR-TXPKVOOTSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cnoc2C)C[C@@H]1O ZINC001047415141 764273882 /nfs/dbraw/zinc/27/38/82/764273882.db2.gz IYGNMGWOMZYCMM-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cnoc2C)C[C@@H]1O ZINC001047415141 764273887 /nfs/dbraw/zinc/27/38/87/764273887.db2.gz IYGNMGWOMZYCMM-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001047415000 764273937 /nfs/dbraw/zinc/27/39/37/764273937.db2.gz AVZAXIPEIDFGRQ-OWSLCNJRSA-N 1 1 349.475 0.157 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC[C@@H](C)F)C[C@@H]1O ZINC001047414989 764274005 /nfs/dbraw/zinc/27/40/05/764274005.db2.gz AJVWLXDSIVVDDK-UGUYLWEFSA-N 1 1 325.428 0.336 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC[C@H](C)F)C[C@@H]1O ZINC001047414990 764274223 /nfs/dbraw/zinc/27/42/23/764274223.db2.gz AJVWLXDSIVVDDK-VGWMRTNUSA-N 1 1 325.428 0.336 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CCNC2=O)C1 ZINC000995271466 764278779 /nfs/dbraw/zinc/27/87/79/764278779.db2.gz GJRAFIGRDBWDRS-SJORKVTESA-N 1 1 340.427 0.501 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2CNC(=O)N2)C1 ZINC000995271567 764280182 /nfs/dbraw/zinc/28/01/82/764280182.db2.gz GTHLCFQQLAQKLU-JKSUJKDBSA-N 1 1 341.415 0.047 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(C)nn3)CC2)C1=O ZINC001052358400 764325577 /nfs/dbraw/zinc/32/55/77/764325577.db2.gz HQUBQFTZOZHATH-UKRRQHHQSA-N 1 1 346.435 0.186 20 30 ECEDMO COc1ccnc(C(=N)Nc2nccnc2N2CC[NH+](C)CC2)n1 ZINC001168418464 764351812 /nfs/dbraw/zinc/35/18/12/764351812.db2.gz ACRZWPZMBMTMHA-UHFFFAOYSA-N 1 1 328.380 0.064 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052379766 764369873 /nfs/dbraw/zinc/36/98/73/764369873.db2.gz RJRZXNJZWHSUDI-UONOGXRCSA-N 1 1 331.420 0.919 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001047449549 764380430 /nfs/dbraw/zinc/38/04/30/764380430.db2.gz CMCARXZLGYPDQD-HOTGVXAUSA-N 1 1 347.415 0.244 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001047479484 764465876 /nfs/dbraw/zinc/46/58/76/764465876.db2.gz OWMWDRCOXFHFGL-IRXDYDNUSA-N 1 1 327.384 0.927 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001047479484 764465881 /nfs/dbraw/zinc/46/58/81/764465881.db2.gz OWMWDRCOXFHFGL-IRXDYDNUSA-N 1 1 327.384 0.927 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c(C)csc3n2)C1 ZINC001047481100 764472373 /nfs/dbraw/zinc/47/23/73/764472373.db2.gz WSDLDHWKBSZTBW-KBPBESRZSA-N 1 1 332.429 0.383 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c(C)csc3n2)C1 ZINC001047481100 764472379 /nfs/dbraw/zinc/47/23/79/764472379.db2.gz WSDLDHWKBSZTBW-KBPBESRZSA-N 1 1 332.429 0.383 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nnnc1C(C)C ZINC001089873361 764477979 /nfs/dbraw/zinc/47/79/79/764477979.db2.gz AVCFCTRQROLLAG-FZKCQIBNSA-N 1 1 342.447 0.599 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2nnnc2C(C)C)C1 ZINC001089873364 764478885 /nfs/dbraw/zinc/47/88/85/764478885.db2.gz AVCFCTRQROLLAG-VGWMRTNUSA-N 1 1 342.447 0.599 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001047498269 764514046 /nfs/dbraw/zinc/51/40/46/764514046.db2.gz NMMBECRSUXHWHL-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001047498269 764514051 /nfs/dbraw/zinc/51/40/51/764514051.db2.gz NMMBECRSUXHWHL-JYJNAYRXSA-N 1 1 349.475 0.550 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503527 764533832 /nfs/dbraw/zinc/53/38/32/764533832.db2.gz GROAHNKKSRZARC-IHRRRGAJSA-N 1 1 349.397 0.950 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3ncn(C)c3n2)C1 ZINC001047525492 764591411 /nfs/dbraw/zinc/59/14/11/764591411.db2.gz MIHWIBWHGXINBA-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3ncn(C)c3n2)C1 ZINC001047525492 764591417 /nfs/dbraw/zinc/59/14/17/764591417.db2.gz MIHWIBWHGXINBA-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO COCC[N@@H+](C)Cc1ccnc(NC(=N)c2nccc(OC)n2)c1 ZINC001168421806 764608578 /nfs/dbraw/zinc/60/85/78/764608578.db2.gz APLRBZBWMQZGRX-UHFFFAOYSA-N 1 1 330.392 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nnc3c2CCCC3)C1 ZINC001047529528 764609698 /nfs/dbraw/zinc/60/96/98/764609698.db2.gz DPKOUMDRFMMSMH-IRXDYDNUSA-N 1 1 347.463 0.627 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001047533416 764617830 /nfs/dbraw/zinc/61/78/30/764617830.db2.gz NJVPXORTGLGAAJ-QZWWFDLISA-N 1 1 338.448 0.508 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047533274 764618222 /nfs/dbraw/zinc/61/82/22/764618222.db2.gz GAONNQZCFQGMNG-QZWWFDLISA-N 1 1 348.447 0.057 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC(=O)NC(=O)C1 ZINC001089877011 764622355 /nfs/dbraw/zinc/62/23/55/764622355.db2.gz XCDXPHJSNDENDL-XZDPQHSOSA-N 1 1 345.443 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001052500917 764625915 /nfs/dbraw/zinc/62/59/15/764625915.db2.gz RVWZBHKDGGDZHR-GFCCVEGCSA-N 1 1 325.390 0.145 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001052507101 764644263 /nfs/dbraw/zinc/64/42/63/764644263.db2.gz RRJCDUAIODDHMS-GFCCVEGCSA-N 1 1 327.816 0.305 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001047550120 764667289 /nfs/dbraw/zinc/66/72/89/764667289.db2.gz PSVNNPPHOXMZRN-ILXRZTDVSA-N 1 1 344.477 0.281 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001047550120 764667294 /nfs/dbraw/zinc/66/72/94/764667294.db2.gz PSVNNPPHOXMZRN-ILXRZTDVSA-N 1 1 344.477 0.281 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(N3CCCC3)n2)C1 ZINC001047553001 764674496 /nfs/dbraw/zinc/67/44/96/764674496.db2.gz HJZHXUIPONIOLE-HOTGVXAUSA-N 1 1 345.447 0.770 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001047561454 764696368 /nfs/dbraw/zinc/69/63/68/764696368.db2.gz LCDPNYAISAFYBW-LTIDMASMSA-N 1 1 348.447 0.368 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC001015481065 764744586 /nfs/dbraw/zinc/74/45/86/764744586.db2.gz CDYLCBDBJHJDJY-NVXWUHKLSA-N 1 1 346.452 0.907 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC001015481065 764744594 /nfs/dbraw/zinc/74/45/94/764744594.db2.gz CDYLCBDBJHJDJY-NVXWUHKLSA-N 1 1 346.452 0.907 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001052583784 764796848 /nfs/dbraw/zinc/79/68/48/764796848.db2.gz KTNMYDMDUZJUCA-HIFRSBDPSA-N 1 1 331.420 0.912 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC1=O ZINC001015502242 764813472 /nfs/dbraw/zinc/81/34/72/764813472.db2.gz DSTOANJTFRXBDW-HZPDHXFCSA-N 1 1 329.375 0.504 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC1=O ZINC001015502242 764813480 /nfs/dbraw/zinc/81/34/80/764813480.db2.gz DSTOANJTFRXBDW-HZPDHXFCSA-N 1 1 329.375 0.504 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001047593692 764813555 /nfs/dbraw/zinc/81/35/55/764813555.db2.gz RRJDWZWOPSCNOF-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001047593692 764813560 /nfs/dbraw/zinc/81/35/60/764813560.db2.gz RRJDWZWOPSCNOF-HOTGVXAUSA-N 1 1 327.388 0.570 20 30 ECEDMO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+]([C@@H](C)COC)C[C@@H]1O ZINC001047602105 764848398 /nfs/dbraw/zinc/84/83/98/764848398.db2.gz ZOQDQVPLCMLNNQ-BPUTZDHNSA-N 1 1 347.415 0.246 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001047613503 764880920 /nfs/dbraw/zinc/88/09/20/764880920.db2.gz IAJGMOPHJUYHAH-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001047613503 764880928 /nfs/dbraw/zinc/88/09/28/764880928.db2.gz IAJGMOPHJUYHAH-IRXDYDNUSA-N 1 1 326.400 0.632 20 30 ECEDMO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)n1 ZINC001052635501 764905031 /nfs/dbraw/zinc/90/50/31/764905031.db2.gz JBYWJXAMUHTMCC-OAHLLOKOSA-N 1 1 339.403 0.866 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(C)=O)c2)C1 ZINC001047622920 764908341 /nfs/dbraw/zinc/90/83/41/764908341.db2.gz BCFPBECSTWVYTL-IRXDYDNUSA-N 1 1 329.400 0.785 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1=O ZINC001015544265 764920754 /nfs/dbraw/zinc/92/07/54/764920754.db2.gz DMSCSWYUZZXCMM-FZMZJTMJSA-N 1 1 332.429 0.789 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1=O ZINC001015544265 764920759 /nfs/dbraw/zinc/92/07/59/764920759.db2.gz DMSCSWYUZZXCMM-FZMZJTMJSA-N 1 1 332.429 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccon2)C1 ZINC000991955357 764931989 /nfs/dbraw/zinc/93/19/89/764931989.db2.gz YAHGFEODOQTEIM-PIMMBPRGSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccon2)C1 ZINC000991955357 764931995 /nfs/dbraw/zinc/93/19/95/764931995.db2.gz YAHGFEODOQTEIM-PIMMBPRGSA-N 1 1 330.388 0.397 20 30 ECEDMO N#CCN1CC[C@]2(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991959260 764946398 /nfs/dbraw/zinc/94/63/98/764946398.db2.gz XXWXTXLJRQJDBM-IEBPWSSRSA-N 1 1 330.432 0.486 20 30 ECEDMO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C(N)=O)CC2)cc1C#N ZINC001052671102 764971432 /nfs/dbraw/zinc/97/14/32/764971432.db2.gz AREUPHYVCQSAMF-CQSZACIVSA-N 1 1 330.388 0.523 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@@H]12 ZINC000991977397 765032639 /nfs/dbraw/zinc/03/26/39/765032639.db2.gz UFIKQUFEOXINPK-JJRVBVJISA-N 1 1 327.388 0.112 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccnnc3)CC2)C1=O ZINC001052742979 765059129 /nfs/dbraw/zinc/05/91/29/765059129.db2.gz RGSHZKJFHFBVHN-HOTGVXAUSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001052760360 765075228 /nfs/dbraw/zinc/07/52/28/765075228.db2.gz CXEKWTNDSGZYOF-ZDUSSCGKSA-N 1 1 334.420 0.244 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001052761741 765077083 /nfs/dbraw/zinc/07/70/83/765077083.db2.gz RXFOGTFWANGVGZ-CYBMUJFWSA-N 1 1 330.392 0.048 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)CC2)nn1 ZINC001052775514 765099609 /nfs/dbraw/zinc/09/96/09/765099609.db2.gz WBERQJQFPKVYRF-CQSZACIVSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)CC2)nn1 ZINC001052775891 765099787 /nfs/dbraw/zinc/09/97/87/765099787.db2.gz YXHFUNYSVKOZNT-ZDUSSCGKSA-N 1 1 334.424 0.137 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)ccc1F ZINC001015626971 765099843 /nfs/dbraw/zinc/09/98/43/765099843.db2.gz QFSHZZOVFWBURP-CYBMUJFWSA-N 1 1 341.346 0.785 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)ccc1F ZINC001015626971 765099852 /nfs/dbraw/zinc/09/98/52/765099852.db2.gz QFSHZZOVFWBURP-CYBMUJFWSA-N 1 1 341.346 0.785 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CNC(=O)N1 ZINC001015635204 765109268 /nfs/dbraw/zinc/10/92/68/765109268.db2.gz QKMAIDGYUVGWST-GJZGRUSLSA-N 1 1 346.818 0.563 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CNC(=O)N1 ZINC001015635204 765109273 /nfs/dbraw/zinc/10/92/73/765109273.db2.gz QKMAIDGYUVGWST-GJZGRUSLSA-N 1 1 346.818 0.563 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001052784325 765116511 /nfs/dbraw/zinc/11/65/11/765116511.db2.gz QEROWXAMHQMMIH-AWEZNQCLSA-N 1 1 334.424 0.336 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786424 765119908 /nfs/dbraw/zinc/11/99/08/765119908.db2.gz VOBVNGCWUPPTFE-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000992007287 765128334 /nfs/dbraw/zinc/12/83/34/765128334.db2.gz SDTUWGRQFQAZPK-UHFFFAOYSA-N 1 1 340.387 0.716 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cc3C)C2)C1=O ZINC001015681154 765154180 /nfs/dbraw/zinc/15/41/80/765154180.db2.gz OXQDUEFJNZFCGU-DZGCQCFKSA-N 1 1 344.415 0.687 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cc3C)C2)C1=O ZINC001015681154 765154185 /nfs/dbraw/zinc/15/41/85/765154185.db2.gz OXQDUEFJNZFCGU-DZGCQCFKSA-N 1 1 344.415 0.687 20 30 ECEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015706396 765199179 /nfs/dbraw/zinc/19/91/79/765199179.db2.gz GYFQHIKGDRCMOY-FGTMMUONSA-N 1 1 339.439 0.953 20 30 ECEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015706396 765199183 /nfs/dbraw/zinc/19/91/83/765199183.db2.gz GYFQHIKGDRCMOY-FGTMMUONSA-N 1 1 339.439 0.953 20 30 ECEDMO C=CCN1CC[C@@H](N2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001015713353 765217424 /nfs/dbraw/zinc/21/74/24/765217424.db2.gz NUVKLRNMQLUGOI-JKSUJKDBSA-N 1 1 348.491 0.696 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC001052848550 765222697 /nfs/dbraw/zinc/22/26/97/765222697.db2.gz GQSPDBYIOKEWHT-GJZGRUSLSA-N 1 1 331.420 0.847 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2nc(C)nc2C)C1 ZINC001015722219 765238442 /nfs/dbraw/zinc/23/84/42/765238442.db2.gz WSJRLMKDDOTJDT-XHSDSOJGSA-N 1 1 333.436 0.677 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000992039878 765247984 /nfs/dbraw/zinc/24/79/84/765247984.db2.gz UMZVBOFKKSHWAC-PXCJXSSVSA-N 1 1 343.431 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)nc1 ZINC001052875095 765275436 /nfs/dbraw/zinc/27/54/36/765275436.db2.gz LPXGOEURFCYWBU-NVXWUHKLSA-N 1 1 340.427 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)CC2)nc1 ZINC001052876789 765280565 /nfs/dbraw/zinc/28/05/65/765280565.db2.gz ZHEQRLHIZSBDTH-OAHLLOKOSA-N 1 1 338.415 0.976 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)CC2)nc1 ZINC001052876789 765280574 /nfs/dbraw/zinc/28/05/74/765280574.db2.gz ZHEQRLHIZSBDTH-OAHLLOKOSA-N 1 1 338.415 0.976 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001052900303 765318066 /nfs/dbraw/zinc/31/80/66/765318066.db2.gz HLDZBNKJRUEJHI-CYBMUJFWSA-N 1 1 341.843 0.613 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC001052912424 765333009 /nfs/dbraw/zinc/33/30/09/765333009.db2.gz BRRJREVZVLHGDI-CYBMUJFWSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)nn1 ZINC001015810543 765368612 /nfs/dbraw/zinc/36/86/12/765368612.db2.gz LYWZHWYJWLEOPB-KBPBESRZSA-N 1 1 346.435 0.185 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2nc3ncccn3n2)CC1 ZINC001052931846 765373169 /nfs/dbraw/zinc/37/31/69/765373169.db2.gz DNNHQRBBOQVCAR-CQSZACIVSA-N 1 1 326.404 0.661 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001052981084 765453142 /nfs/dbraw/zinc/45/31/42/765453142.db2.gz MOPLJEYWNARPKY-IRXDYDNUSA-N 1 1 349.475 0.579 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001052988438 765466191 /nfs/dbraw/zinc/46/61/91/765466191.db2.gz UYCVKVWBESTMAX-GDBMZVCRSA-N 1 1 346.431 0.442 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]([C@@H]3CCC[N@H+](CC(N)=O)C3)C2)c1 ZINC001053015744 765489095 /nfs/dbraw/zinc/48/90/95/765489095.db2.gz LOJBWNOPNRDWCY-CABCVRRESA-N 1 1 343.431 0.936 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC000992107174 765507728 /nfs/dbraw/zinc/50/77/28/765507728.db2.gz JHMCLBVKHVUKPR-CRAIPNDOSA-N 1 1 334.464 0.498 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC000992107178 765508799 /nfs/dbraw/zinc/50/87/99/765508799.db2.gz JHMCLBVKHVUKPR-QAPCUYQASA-N 1 1 334.464 0.498 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001053037387 765513864 /nfs/dbraw/zinc/51/38/64/765513864.db2.gz ZIOFOUHSKNIAMD-GJZGRUSLSA-N 1 1 330.436 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC001053054443 765531200 /nfs/dbraw/zinc/53/12/00/765531200.db2.gz MEUMWWYCRHTFOU-HZPDHXFCSA-N 1 1 344.459 0.921 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(CCC)nn3)C2)C1=O ZINC001015915427 765543241 /nfs/dbraw/zinc/54/32/41/765543241.db2.gz QXFFBUNDGUOBOR-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cn(CCC)nn3)C2)C1=O ZINC001015915427 765543245 /nfs/dbraw/zinc/54/32/45/765543245.db2.gz QXFFBUNDGUOBOR-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2ncnn2)C1 ZINC001053087461 765562937 /nfs/dbraw/zinc/56/29/37/765562937.db2.gz UAVORLAZIBPNDX-CVEARBPZSA-N 1 1 330.436 0.790 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)cc1 ZINC001077495197 765629322 /nfs/dbraw/zinc/62/93/22/765629322.db2.gz WRQCEFUYRJWUNP-IAGOWNOFSA-N 1 1 341.411 0.065 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)cc1 ZINC001077495197 765629326 /nfs/dbraw/zinc/62/93/26/765629326.db2.gz WRQCEFUYRJWUNP-IAGOWNOFSA-N 1 1 341.411 0.065 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H](O)CNc2nc(C)[nH+]c(C)c2C)c1 ZINC001106097100 765635562 /nfs/dbraw/zinc/63/55/62/765635562.db2.gz YHESKKNASWGHGQ-MRXNPFEDSA-N 1 1 339.399 0.981 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001015968568 765636898 /nfs/dbraw/zinc/63/68/98/765636898.db2.gz DBFOTIJHUXLXJO-AWEZNQCLSA-N 1 1 342.403 0.742 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001015968568 765636901 /nfs/dbraw/zinc/63/69/01/765636901.db2.gz DBFOTIJHUXLXJO-AWEZNQCLSA-N 1 1 342.403 0.742 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001016015862 765721966 /nfs/dbraw/zinc/72/19/66/765721966.db2.gz CQOGRJWOTXXPED-DZGCQCFKSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001016015862 765721970 /nfs/dbraw/zinc/72/19/70/765721970.db2.gz CQOGRJWOTXXPED-DZGCQCFKSA-N 1 1 342.399 0.128 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCn3nc(C)nc3C)C2)nc1 ZINC001016015586 765722242 /nfs/dbraw/zinc/72/22/42/765722242.db2.gz BAPDAUUKXQGNMT-MRXNPFEDSA-N 1 1 338.415 0.776 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCN3CCCC3=O)C2)cn1 ZINC001016017427 765724316 /nfs/dbraw/zinc/72/43/16/765724316.db2.gz UCUPLMRMFJTMFR-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001016025832 765730144 /nfs/dbraw/zinc/73/01/44/765730144.db2.gz BPOPJDLBRHDGJB-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001016025832 765730147 /nfs/dbraw/zinc/73/01/47/765730147.db2.gz BPOPJDLBRHDGJB-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C2)cn1 ZINC001016035485 765736430 /nfs/dbraw/zinc/73/64/30/765736430.db2.gz WCAYNIXNJIBUAB-IAGOWNOFSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C2)cn1 ZINC001016035485 765736435 /nfs/dbraw/zinc/73/64/35/765736435.db2.gz WCAYNIXNJIBUAB-IAGOWNOFSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=O)NC)CC3)c1 ZINC000992175729 765774245 /nfs/dbraw/zinc/77/42/45/765774245.db2.gz JDXKYNGKDRVHTL-MAUKXSAKSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)NC)CC3)c1 ZINC000992175729 765774248 /nfs/dbraw/zinc/77/42/48/765774248.db2.gz JDXKYNGKDRVHTL-MAUKXSAKSA-N 1 1 326.400 0.536 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)C2)cc1 ZINC001016185825 765882257 /nfs/dbraw/zinc/88/22/57/765882257.db2.gz WWVWOAPOJUAMOG-OAHLLOKOSA-N 1 1 340.387 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2[nH]cnc2C)C1 ZINC000992205996 765894182 /nfs/dbraw/zinc/89/41/82/765894182.db2.gz GVCVOIFOJOKFJS-NRXISQOPSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2[nH]cnc2C)C1 ZINC000992205996 765894190 /nfs/dbraw/zinc/89/41/90/765894190.db2.gz GVCVOIFOJOKFJS-NRXISQOPSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2n[nH]cc2F)C1 ZINC000992207143 765897831 /nfs/dbraw/zinc/89/78/31/765897831.db2.gz JNZOAEHTKIITCC-YIZWMMSDSA-N 1 1 347.394 0.271 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2n[nH]cc2F)C1 ZINC000992207143 765897839 /nfs/dbraw/zinc/89/78/39/765897839.db2.gz JNZOAEHTKIITCC-YIZWMMSDSA-N 1 1 347.394 0.271 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2cnoc2)C1 ZINC000992209371 765911430 /nfs/dbraw/zinc/91/14/30/765911430.db2.gz WFHSEIBGCDRVGC-BCLQGDPASA-N 1 1 344.415 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2cnoc2)C1 ZINC000992209371 765911436 /nfs/dbraw/zinc/91/14/36/765911436.db2.gz WFHSEIBGCDRVGC-BCLQGDPASA-N 1 1 344.415 0.326 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cncn2C)C1 ZINC000992213848 765928893 /nfs/dbraw/zinc/92/88/93/765928893.db2.gz NWYLXTOLXJUUAK-NRXISQOPSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cncn2C)C1 ZINC000992213848 765928900 /nfs/dbraw/zinc/92/89/00/765928900.db2.gz NWYLXTOLXJUUAK-NRXISQOPSA-N 1 1 343.431 0.142 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3cccc(C#N)c3)C2)C1 ZINC001030837115 765937819 /nfs/dbraw/zinc/93/78/19/765937819.db2.gz GNRLUODJJJMJEO-SFHVURJKSA-N 1 1 342.443 0.968 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3cccc(C#N)c3)C2)C1 ZINC001030837115 765937824 /nfs/dbraw/zinc/93/78/24/765937824.db2.gz GNRLUODJJJMJEO-SFHVURJKSA-N 1 1 342.443 0.968 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)Cn1c[nH+]c3c1CCCC3)CCO2 ZINC001053342978 766005078 /nfs/dbraw/zinc/00/50/78/766005078.db2.gz UMUHKPVNXWEXJX-UHFFFAOYSA-N 1 1 342.443 0.698 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001016284671 766038411 /nfs/dbraw/zinc/03/84/11/766038411.db2.gz SRKHVXVFMVYQNV-UKRRQHHQSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001016284671 766038420 /nfs/dbraw/zinc/03/84/20/766038420.db2.gz SRKHVXVFMVYQNV-UKRRQHHQSA-N 1 1 329.404 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cnsn2)C1 ZINC001016286082 766040602 /nfs/dbraw/zinc/04/06/02/766040602.db2.gz JKNRXUUYASHZJF-YIZWMMSDSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cnsn2)C1 ZINC001016286082 766040610 /nfs/dbraw/zinc/04/06/10/766040610.db2.gz JKNRXUUYASHZJF-YIZWMMSDSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nnnn4CC3)CCC[C@H]12 ZINC000992250240 766057710 /nfs/dbraw/zinc/05/77/10/766057710.db2.gz OCDNBXQBMYXDFW-RLFYNMQTSA-N 1 1 342.447 0.762 20 30 ECEDMO CCN1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304923 766080024 /nfs/dbraw/zinc/08/00/24/766080024.db2.gz ISODZJDOLVWICE-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C=C(Br)CN1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016304926 766080465 /nfs/dbraw/zinc/08/04/65/766080465.db2.gz ISUASOBBNOKPMD-OLZOCXBDSA-N 1 1 346.269 0.806 20 30 ECEDMO C=C(Br)CN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016304926 766080470 /nfs/dbraw/zinc/08/04/70/766080470.db2.gz ISUASOBBNOKPMD-OLZOCXBDSA-N 1 1 346.269 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cscn2)C1 ZINC001016315501 766099569 /nfs/dbraw/zinc/09/95/69/766099569.db2.gz UUORLWVQVBGKBH-PIMMBPRGSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cscn2)C1 ZINC001016315501 766099574 /nfs/dbraw/zinc/09/95/74/766099574.db2.gz UUORLWVQVBGKBH-PIMMBPRGSA-N 1 1 346.456 0.960 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CCO2 ZINC001053428933 766117426 /nfs/dbraw/zinc/11/74/26/766117426.db2.gz AGVYEEZJBPYIDQ-HNNXBMFYSA-N 1 1 330.432 0.853 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001016330162 766128531 /nfs/dbraw/zinc/12/85/31/766128531.db2.gz MEQJGTROVIMDKA-OFLPRAFFSA-N 1 1 340.427 0.876 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001016330840 766129643 /nfs/dbraw/zinc/12/96/43/766129643.db2.gz RZCQFCKIQVKCKJ-PIMMBPRGSA-N 1 1 346.435 0.278 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)Cn1cc[nH+]c1C(C)C)CCO2 ZINC001053452392 766158066 /nfs/dbraw/zinc/15/80/66/766158066.db2.gz SJEMMWLMAPTRLM-UHFFFAOYSA-N 1 1 330.432 0.943 20 30 ECEDMO Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)n(C)c1=O ZINC001016353708 766172192 /nfs/dbraw/zinc/17/21/92/766172192.db2.gz JMALLBJKHBDKIV-NSHDSACASA-N 1 1 345.428 0.661 20 30 ECEDMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n(C)c1=O ZINC001016353708 766172196 /nfs/dbraw/zinc/17/21/96/766172196.db2.gz JMALLBJKHBDKIV-NSHDSACASA-N 1 1 345.428 0.661 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cccn3)nc2)[C@@H](O)C1 ZINC001083685778 766185828 /nfs/dbraw/zinc/18/58/28/766185828.db2.gz MBGQVADSMFXIDH-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cccn3)nc2)[C@@H](O)C1 ZINC001083685778 766185835 /nfs/dbraw/zinc/18/58/35/766185835.db2.gz MBGQVADSMFXIDH-CABCVRRESA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CN(C(=O)CC[NH+]1CCOCC1)CCO2 ZINC001053471904 766190449 /nfs/dbraw/zinc/19/04/49/766190449.db2.gz ICQMTLZBQUNTBS-UHFFFAOYSA-N 1 1 343.855 0.374 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016429746 766284552 /nfs/dbraw/zinc/28/45/52/766284552.db2.gz IYAPHQYHANXKIW-LSDHHAIUSA-N 1 1 340.383 0.302 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016429746 766284557 /nfs/dbraw/zinc/28/45/57/766284557.db2.gz IYAPHQYHANXKIW-LSDHHAIUSA-N 1 1 340.383 0.302 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@@H]12 ZINC000992333160 766310622 /nfs/dbraw/zinc/31/06/22/766310622.db2.gz BZEURQQEPCFNMF-JJZFQXHVSA-N 1 1 344.415 0.111 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)C3CC4(C3)NC(=O)NC4=O)CCC[C@H]12 ZINC000992350036 766346512 /nfs/dbraw/zinc/34/65/12/766346512.db2.gz XZXCVJIRJCDXEK-ZVRZEWSUSA-N 1 1 344.415 0.111 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@H]12 ZINC000992353872 766357510 /nfs/dbraw/zinc/35/75/10/766357510.db2.gz SVCNTCCLAPYTMT-QFBILLFUSA-N 1 1 342.443 0.997 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2O)cc1 ZINC001083691243 766367598 /nfs/dbraw/zinc/36/75/98/766367598.db2.gz GFZNBDHGFFIQNN-IKGGRYGDSA-N 1 1 341.411 0.064 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2O)cc1 ZINC001083691243 766367611 /nfs/dbraw/zinc/36/76/11/766367611.db2.gz GFZNBDHGFFIQNN-IKGGRYGDSA-N 1 1 341.411 0.064 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2coc(=O)c3ccccc23)[C@@H](O)C1 ZINC001083691931 766375556 /nfs/dbraw/zinc/37/55/56/766375556.db2.gz OEIUCMKRCZDXEN-CVEARBPZSA-N 1 1 326.352 0.591 20 30 ECEDMO CO[C@H](C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)O2 ZINC001053593701 766390916 /nfs/dbraw/zinc/39/09/16/766390916.db2.gz RMAIFQCGPWUPJJ-TZMCWYRMSA-N 1 1 332.404 0.884 20 30 ECEDMO CO[C@@H](C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)O2 ZINC001053593404 766390952 /nfs/dbraw/zinc/39/09/52/766390952.db2.gz JMHXHIRTLCFASY-SWLSCSKDSA-N 1 1 332.404 0.884 20 30 ECEDMO N#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)O2 ZINC001053608875 766425690 /nfs/dbraw/zinc/42/56/90/766425690.db2.gz NKWQINAPTGSXJT-KBPBESRZSA-N 1 1 329.404 0.634 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=O)NC)CC3)cn1 ZINC000992403176 766492547 /nfs/dbraw/zinc/49/25/47/766492547.db2.gz AXXIZXRRFJTKLB-CRAIPNDOSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)cn1 ZINC000992403176 766492555 /nfs/dbraw/zinc/49/25/55/766492555.db2.gz AXXIZXRRFJTKLB-CRAIPNDOSA-N 1 1 326.400 0.536 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CCC3(CN(CC#N)C3)O1)CC2 ZINC001053654082 766519771 /nfs/dbraw/zinc/51/97/71/766519771.db2.gz FGHQJUNUPSCPEB-GDBMZVCRSA-N 1 1 343.431 0.627 20 30 ECEDMO Cn1nncc1C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001016575822 766524592 /nfs/dbraw/zinc/52/45/92/766524592.db2.gz JRFIUDWFKJKUSW-HNNXBMFYSA-N 1 1 339.403 0.799 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001045968906 766540027 /nfs/dbraw/zinc/54/00/27/766540027.db2.gz JCJVEEFUIULNCM-KSSFIOAISA-N 1 1 346.431 0.312 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@@H]12 ZINC000992423574 766540863 /nfs/dbraw/zinc/54/08/63/766540863.db2.gz GFGMKJZPNWONLL-DYVFJYSZSA-N 1 1 334.420 0.618 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001045974642 766545001 /nfs/dbraw/zinc/54/50/01/766545001.db2.gz IPYBEKFEDFQVMH-GOSISDBHSA-N 1 1 348.447 0.819 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001045974962 766545017 /nfs/dbraw/zinc/54/50/17/766545017.db2.gz RAGVEAIVDPXWKQ-GOSISDBHSA-N 1 1 346.431 0.266 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001016586758 766545068 /nfs/dbraw/zinc/54/50/68/766545068.db2.gz LPZJVOGWOITQRE-JCYILVPMSA-N 1 1 342.443 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001016586758 766545072 /nfs/dbraw/zinc/54/50/72/766545072.db2.gz LPZJVOGWOITQRE-JCYILVPMSA-N 1 1 342.443 0.760 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(CCC=C)nn1)O2 ZINC001053677326 766560138 /nfs/dbraw/zinc/56/01/38/766560138.db2.gz VSFDHSNJXOQTEN-OAHLLOKOSA-N 1 1 343.431 0.841 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(CC=C)nn1)O2 ZINC001053676703 766560671 /nfs/dbraw/zinc/56/06/71/766560671.db2.gz ISCYILPPGLGAPP-CQSZACIVSA-N 1 1 329.404 0.451 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCN(C(=O)CC)C1)O2 ZINC001053689037 766594325 /nfs/dbraw/zinc/59/43/25/766594325.db2.gz ZZFCWSDRJWAQDZ-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3C)CC2)C1 ZINC001046004257 766608868 /nfs/dbraw/zinc/60/88/68/766608868.db2.gz OELIORJTLMVKDM-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC2(COC)CC2)[C@H](OC)C1 ZINC001212260790 766628537 /nfs/dbraw/zinc/62/85/37/766628537.db2.gz JIFPIUQPEVOBCF-HUUCEWRRSA-N 1 1 326.437 0.821 20 30 ECEDMO Cc1nnsc1C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011196 766634417 /nfs/dbraw/zinc/63/44/17/766634417.db2.gz ANJVZBBYMCMPRV-JSGCOSHPSA-N 1 1 348.476 0.725 20 30 ECEDMO Cc1nnsc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011196 766634419 /nfs/dbraw/zinc/63/44/19/766634419.db2.gz ANJVZBBYMCMPRV-JSGCOSHPSA-N 1 1 348.476 0.725 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001046011280 766635559 /nfs/dbraw/zinc/63/55/59/766635559.db2.gz BHFBBIHWLRKEMX-GDBMZVCRSA-N 1 1 330.436 0.298 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001046012351 766640094 /nfs/dbraw/zinc/64/00/94/766640094.db2.gz OCIIPBZPQVZOSS-WBVHZDCISA-N 1 1 327.432 0.960 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3n[nH]c(C)c3C)CC2)C1 ZINC001046014303 766647002 /nfs/dbraw/zinc/64/70/02/766647002.db2.gz UOGLQVHLYDNSEI-MRXNPFEDSA-N 1 1 329.448 0.882 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1OC ZINC001213270950 766653042 /nfs/dbraw/zinc/65/30/42/766653042.db2.gz ADMHHDFGGSUCDN-HUUCEWRRSA-N 1 1 341.452 0.167 20 30 ECEDMO CO[C@H](C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046021488 766666408 /nfs/dbraw/zinc/66/64/08/766666408.db2.gz IKSGECDAQUMCCP-GDBMZVCRSA-N 1 1 345.447 0.753 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccnn3C)CC2)C1 ZINC001046022124 766668702 /nfs/dbraw/zinc/66/87/02/766668702.db2.gz LPNOVJWMIYGVSY-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OC)no3)CC2)C1 ZINC001046023230 766672916 /nfs/dbraw/zinc/67/29/16/766672916.db2.gz INSNRUGKBBGMEZ-CQSZACIVSA-N 1 1 332.404 0.539 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#C)cn2)C1 ZINC000994749499 766690985 /nfs/dbraw/zinc/69/09/85/766690985.db2.gz BMHAJLVERLYSPB-KRWDZBQOSA-N 1 1 336.395 0.101 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#C)cn2)C1 ZINC000994749499 766690987 /nfs/dbraw/zinc/69/09/87/766690987.db2.gz BMHAJLVERLYSPB-KRWDZBQOSA-N 1 1 336.395 0.101 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc[nH]c2CC)C1 ZINC000994749741 766692134 /nfs/dbraw/zinc/69/21/34/766692134.db2.gz DBELRBFVIJWOTK-INIZCTEOSA-N 1 1 328.416 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc[nH]c2CC)C1 ZINC000994749741 766692136 /nfs/dbraw/zinc/69/21/36/766692136.db2.gz DBELRBFVIJWOTK-INIZCTEOSA-N 1 1 328.416 0.615 20 30 ECEDMO C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)c1cc(CC)[nH+]c(C)n1 ZINC001089622689 766693903 /nfs/dbraw/zinc/69/39/03/766693903.db2.gz SKDJMCLGDNBMRC-CYBMUJFWSA-N 1 1 345.447 0.818 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1OC ZINC001212262674 766694190 /nfs/dbraw/zinc/69/41/90/766694190.db2.gz VWEPDIZEQUPYBE-MGPQQGTHSA-N 1 1 346.374 0.266 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1OC ZINC001212262674 766694196 /nfs/dbraw/zinc/69/41/96/766694196.db2.gz VWEPDIZEQUPYBE-MGPQQGTHSA-N 1 1 346.374 0.266 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)C1 ZINC001046029730 766695869 /nfs/dbraw/zinc/69/58/69/766695869.db2.gz AGXWWNRKRVTBLK-HOTGVXAUSA-N 1 1 341.459 0.681 20 30 ECEDMO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089625206 766696059 /nfs/dbraw/zinc/69/60/59/766696059.db2.gz ONWIMDCNHWPFBL-OCCSQVGLSA-N 1 1 332.408 0.010 20 30 ECEDMO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089625206 766696063 /nfs/dbraw/zinc/69/60/63/766696063.db2.gz ONWIMDCNHWPFBL-OCCSQVGLSA-N 1 1 332.408 0.010 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2scnc2C)C1 ZINC000994751129 766696653 /nfs/dbraw/zinc/69/66/53/766696653.db2.gz NIBXRHJVEIWHRQ-ZDUSSCGKSA-N 1 1 332.429 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2scnc2C)C1 ZINC000994751129 766696656 /nfs/dbraw/zinc/69/66/56/766696656.db2.gz NIBXRHJVEIWHRQ-ZDUSSCGKSA-N 1 1 332.429 0.490 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cccc(C)c3=O)CC2)C1 ZINC001046030697 766698462 /nfs/dbraw/zinc/69/84/62/766698462.db2.gz YXBPSIUIBYMUSP-QGZVFWFLSA-N 1 1 344.459 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)coc2C)C1 ZINC000994752255 766701371 /nfs/dbraw/zinc/70/13/71/766701371.db2.gz QUXZWVCBGDOQBX-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(C)coc2C)C1 ZINC000994752255 766701374 /nfs/dbraw/zinc/70/13/74/766701374.db2.gz QUXZWVCBGDOQBX-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC001046031832 766703313 /nfs/dbraw/zinc/70/33/13/766703313.db2.gz ACGUKXSMODKDLF-SJORKVTESA-N 1 1 346.475 0.095 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncoc2CC)C1 ZINC000994752875 766704510 /nfs/dbraw/zinc/70/45/10/766704510.db2.gz WEOLWAVTKILYND-ZDUSSCGKSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncoc2CC)C1 ZINC000994752875 766704516 /nfs/dbraw/zinc/70/45/16/766704516.db2.gz WEOLWAVTKILYND-ZDUSSCGKSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000994754432 766706878 /nfs/dbraw/zinc/70/68/78/766706878.db2.gz LKXLOMJAGQPOKX-STQMWFEESA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000994754432 766706887 /nfs/dbraw/zinc/70/68/87/766706887.db2.gz LKXLOMJAGQPOKX-STQMWFEESA-N 1 1 325.359 0.456 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn(C(F)F)n3)CC2)C1 ZINC001046032793 766707438 /nfs/dbraw/zinc/70/74/38/766707438.db2.gz NBIAWYBZTUOMEZ-ZDUSSCGKSA-N 1 1 337.374 0.744 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033567 766709889 /nfs/dbraw/zinc/70/98/89/766709889.db2.gz HZSXBESOUGWQAM-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 ZINC001046033725 766711131 /nfs/dbraw/zinc/71/11/31/766711131.db2.gz JMUWDJDVCLUHLO-KRWDZBQOSA-N 1 1 341.459 0.685 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC001046033778 766711406 /nfs/dbraw/zinc/71/14/06/766711406.db2.gz KTNHJBHJTHODAA-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ccn(C)n3)CC2)C1 ZINC001046034166 766712949 /nfs/dbraw/zinc/71/29/49/766712949.db2.gz QOQULNXKPKXCMB-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)C1 ZINC001046036182 766725127 /nfs/dbraw/zinc/72/51/27/766725127.db2.gz CBLBNPFAIKWCCH-QFBILLFUSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C)[nH]c2=O)C1 ZINC000994756261 766725302 /nfs/dbraw/zinc/72/53/02/766725302.db2.gz WEXYZACBZLBHIK-HNNXBMFYSA-N 1 1 342.399 0.134 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C)[nH]c2=O)C1 ZINC000994756261 766725307 /nfs/dbraw/zinc/72/53/07/766725307.db2.gz WEXYZACBZLBHIK-HNNXBMFYSA-N 1 1 342.399 0.134 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc4n(n3)CCO4)CC2)C1 ZINC001046036632 766728249 /nfs/dbraw/zinc/72/82/49/766728249.db2.gz NCVBXKCRWHUGIZ-HNNXBMFYSA-N 1 1 345.447 0.684 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000994756637 766730181 /nfs/dbraw/zinc/73/01/81/766730181.db2.gz YDSSYQDQPFJZMM-INIZCTEOSA-N 1 1 341.415 0.325 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000994756637 766730185 /nfs/dbraw/zinc/73/01/85/766730185.db2.gz YDSSYQDQPFJZMM-INIZCTEOSA-N 1 1 341.415 0.325 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC001046037058 766730973 /nfs/dbraw/zinc/73/09/73/766730973.db2.gz KMHZZIBMNRVZAT-HNNXBMFYSA-N 1 1 329.404 0.038 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCC=C)C2)CC1 ZINC001046037310 766732640 /nfs/dbraw/zinc/73/26/40/766732640.db2.gz VVBNQUCFSMDAHL-OALUTQOASA-N 1 1 344.503 0.879 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)C1 ZINC001046038637 766739713 /nfs/dbraw/zinc/73/97/13/766739713.db2.gz GYBWWIBMZXQALQ-CQSZACIVSA-N 1 1 340.431 0.976 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(OCC)n[nH]3)CC2)C1 ZINC001046039804 766744172 /nfs/dbraw/zinc/74/41/72/766744172.db2.gz YIJKKMJVRKKLGW-OAHLLOKOSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ncnc4[nH]ccc43)CC2)C1 ZINC001046042543 766756196 /nfs/dbraw/zinc/75/61/96/766756196.db2.gz XJRYJSFMUHSPBU-AWEZNQCLSA-N 1 1 340.431 0.928 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1OC ZINC001212264771 766760265 /nfs/dbraw/zinc/76/02/65/766760265.db2.gz RCYSTLGGVOIPDC-ARFHVFGLSA-N 1 1 326.437 0.655 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(COC)o3)CC2)C1 ZINC001046043797 766763648 /nfs/dbraw/zinc/76/36/48/766763648.db2.gz DJVASYLALUPKLS-HNNXBMFYSA-N 1 1 331.416 0.891 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC001046044449 766767740 /nfs/dbraw/zinc/76/77/40/766767740.db2.gz XEMSPXVJIZMVGD-INIZCTEOSA-N 1 1 330.432 0.734 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC001046044797 766769275 /nfs/dbraw/zinc/76/92/75/766769275.db2.gz RKWMWGLIIMXTJF-MRXNPFEDSA-N 1 1 331.464 0.676 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106132856 766775843 /nfs/dbraw/zinc/77/58/43/766775843.db2.gz BGAMFJSRGMXRSV-FZMZJTMJSA-N 1 1 328.376 0.444 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001046046990 766775926 /nfs/dbraw/zinc/77/59/26/766775926.db2.gz KNTJHTVYQUJVRL-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3nccn3C)CC2)C1 ZINC001046046785 766776565 /nfs/dbraw/zinc/77/65/65/766776565.db2.gz DJIPDCHOIDDDDG-KRWDZBQOSA-N 1 1 343.475 0.595 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC001046047205 766777419 /nfs/dbraw/zinc/77/74/19/766777419.db2.gz MIVMGYBAGAJGJL-HNNXBMFYSA-N 1 1 346.431 0.787 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)C1 ZINC001046049526 766783226 /nfs/dbraw/zinc/78/32/26/766783226.db2.gz QQOSVNGYDIIIRK-QGZVFWFLSA-N 1 1 343.475 0.892 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2COC3(C[NH+](CC[C@H]4CCOC4)C3)C2)c1 ZINC001053766830 766786400 /nfs/dbraw/zinc/78/64/00/766786400.db2.gz WTBZGVOPEBJBCY-ZFWWWQNUSA-N 1 1 344.415 0.886 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)c3cncnc3)CC2)C1 ZINC001046054266 766798679 /nfs/dbraw/zinc/79/86/79/766798679.db2.gz KFTHURFUUBNVQU-FUHWJXTLSA-N 1 1 341.459 0.822 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046055061 766804770 /nfs/dbraw/zinc/80/47/70/766804770.db2.gz FEOGJAWQQGLQFF-LPHOPBHVSA-N 1 1 348.491 0.697 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046056094 766810086 /nfs/dbraw/zinc/81/00/86/766810086.db2.gz UVYIAZYKQVXXHQ-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 ZINC001046060843 766827697 /nfs/dbraw/zinc/82/76/97/766827697.db2.gz GPZKIALKSBANOH-QAPCUYQASA-N 1 1 334.464 0.450 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCN([C@H]2CC[N@@H+](CC(=O)NC)C2)CC1 ZINC001046061399 766829302 /nfs/dbraw/zinc/82/93/02/766829302.db2.gz LGPVTSSPOGMMGS-MAUKXSAKSA-N 1 1 336.480 0.553 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 ZINC001046062935 766835351 /nfs/dbraw/zinc/83/53/51/766835351.db2.gz XKGLZVOFSYWHHV-YJBOKZPZSA-N 1 1 334.464 0.450 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001016751991 766846962 /nfs/dbraw/zinc/84/69/62/766846962.db2.gz NJMOEIMJQLEQFZ-UHFFFAOYSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CC=C)nn3)CC2)C1 ZINC001046068213 766860817 /nfs/dbraw/zinc/86/08/17/766860817.db2.gz HAMAIZJKFBGWED-MRXNPFEDSA-N 1 1 342.447 0.320 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)COC3CCOCC3)CC2)C1 ZINC001046070590 766873207 /nfs/dbraw/zinc/87/32/07/766873207.db2.gz PKTLJQUFJOPABV-MRXNPFEDSA-N 1 1 337.464 0.587 20 30 ECEDMO Cc1nc(NC[C@@H](O)CN(C)C(=O)CSCC#N)c(C)c(C)[nH+]1 ZINC001124111026 766875764 /nfs/dbraw/zinc/87/57/64/766875764.db2.gz BFPNYMWPPJAYDO-CYBMUJFWSA-N 1 1 337.449 0.890 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)COc3cccnc3)CC2)C1 ZINC001046072297 766881045 /nfs/dbraw/zinc/88/10/45/766881045.db2.gz WQFNWMATQHIUSF-KRWDZBQOSA-N 1 1 342.443 0.702 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC001046072574 766882966 /nfs/dbraw/zinc/88/29/66/766882966.db2.gz IMUCDHPRPHPRRT-QGZVFWFLSA-N 1 1 341.459 0.651 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)nn3C)CC2)C1 ZINC001046074305 766890080 /nfs/dbraw/zinc/89/00/80/766890080.db2.gz XLHZYOMFUQUAMZ-QGZVFWFLSA-N 1 1 343.475 0.838 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Oc3ccccn3)CC2)C1 ZINC001046075941 766899175 /nfs/dbraw/zinc/89/91/75/766899175.db2.gz ITEAMJNCQTYFIC-DLBZAZTESA-N 1 1 342.443 0.701 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC001046076505 766903909 /nfs/dbraw/zinc/90/39/09/766903909.db2.gz NNTMGVIRJVAOIV-CABCVRRESA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)CC2)C1 ZINC001046076505 766903913 /nfs/dbraw/zinc/90/39/13/766903913.db2.gz NNTMGVIRJVAOIV-CABCVRRESA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)CC2)C1 ZINC001046076505 766903919 /nfs/dbraw/zinc/90/39/19/766903919.db2.gz NNTMGVIRJVAOIV-CABCVRRESA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)CC2)C1 ZINC001046076505 766903923 /nfs/dbraw/zinc/90/39/23/766903923.db2.gz NNTMGVIRJVAOIV-CABCVRRESA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)CC2)C1 ZINC001046076505 766903927 /nfs/dbraw/zinc/90/39/27/766903927.db2.gz NNTMGVIRJVAOIV-CABCVRRESA-N 1 1 344.463 0.314 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)C1 ZINC001046076656 766904128 /nfs/dbraw/zinc/90/41/28/766904128.db2.gz OFFHHMUPVVARJG-INIZCTEOSA-N 1 1 343.475 0.929 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)c3c[nH]cn3)CC2)C1 ZINC001046076656 766904130 /nfs/dbraw/zinc/90/41/30/766904130.db2.gz OFFHHMUPVVARJG-INIZCTEOSA-N 1 1 343.475 0.929 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)c3c[nH]cn3)CC2)C1 ZINC001046076656 766904133 /nfs/dbraw/zinc/90/41/33/766904133.db2.gz OFFHHMUPVVARJG-INIZCTEOSA-N 1 1 343.475 0.929 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC001046079236 766913229 /nfs/dbraw/zinc/91/32/29/766913229.db2.gz RNGDAIKPORXEBC-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046081542 766919390 /nfs/dbraw/zinc/91/93/90/766919390.db2.gz MBQJCVCSDIQMIH-IBGZPJMESA-N 1 1 341.455 0.421 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncnc3CC)CC2)C1 ZINC001046083852 766923797 /nfs/dbraw/zinc/92/37/97/766923797.db2.gz CDFPNWGSNJOSDB-MRXNPFEDSA-N 1 1 341.459 0.894 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC001046087658 766930200 /nfs/dbraw/zinc/93/02/00/766930200.db2.gz VJSMDGCEVZGKTN-ZWKOTPCHSA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046088655 766931074 /nfs/dbraw/zinc/93/10/74/766931074.db2.gz RYGJAKHXYYQTGJ-HNNXBMFYSA-N 1 1 337.855 0.854 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046088655 766931076 /nfs/dbraw/zinc/93/10/76/766931076.db2.gz RYGJAKHXYYQTGJ-HNNXBMFYSA-N 1 1 337.855 0.854 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(C/C=C\Cl)C2)C1 ZINC001053832413 766969526 /nfs/dbraw/zinc/96/95/26/766969526.db2.gz KAZCHTZVUSGHLD-VASHYATMSA-N 1 1 337.851 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(C/C=C\Cl)C2)C1 ZINC001053832413 766969533 /nfs/dbraw/zinc/96/95/33/766969533.db2.gz KAZCHTZVUSGHLD-VASHYATMSA-N 1 1 337.851 0.796 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnc4n3CCC4)C2)C1=O ZINC001031741589 766992387 /nfs/dbraw/zinc/99/23/87/766992387.db2.gz FEMSZMQGYVGDFH-AWEZNQCLSA-N 1 1 343.431 0.278 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2ncccn2)C1 ZINC001031742359 766996747 /nfs/dbraw/zinc/99/67/47/766996747.db2.gz BXBUGWKHHGQKNO-ZBFHGGJFSA-N 1 1 327.432 0.683 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2ncccn2)C1 ZINC001031742359 766996750 /nfs/dbraw/zinc/99/67/50/766996750.db2.gz BXBUGWKHHGQKNO-ZBFHGGJFSA-N 1 1 327.432 0.683 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)c1 ZINC000994852445 767018146 /nfs/dbraw/zinc/01/81/46/767018146.db2.gz DSOAICJCQMNOKA-GOEBONIOSA-N 1 1 341.415 0.844 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccnn3C)C2)C1=O ZINC001046190007 767038538 /nfs/dbraw/zinc/03/85/38/767038538.db2.gz PXJWJGYUKIGLAA-WMLDXEAASA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccnn3C)C2)C1=O ZINC001046190007 767038545 /nfs/dbraw/zinc/03/85/45/767038545.db2.gz PXJWJGYUKIGLAA-WMLDXEAASA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3c1CC(=O)N3)CO2 ZINC001053857965 767044177 /nfs/dbraw/zinc/04/41/77/767044177.db2.gz SXZXFKGMJMDRNG-LBPRGKRZSA-N 1 1 342.399 0.725 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001042015539 782601646 /nfs/dbraw/zinc/60/16/46/782601646.db2.gz JBBKPPMHYBFITB-SWLSCSKDSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ocnc3C)C2)C1=O ZINC001046215366 767074599 /nfs/dbraw/zinc/07/45/99/767074599.db2.gz CHQYMLJRSCMIDJ-DYVFJYSZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ocnc3C)C2)C1=O ZINC001046215366 767074605 /nfs/dbraw/zinc/07/46/05/767074605.db2.gz CHQYMLJRSCMIDJ-DYVFJYSZSA-N 1 1 332.404 0.964 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046247377 767106659 /nfs/dbraw/zinc/10/66/59/767106659.db2.gz DVCAOPWJWUVABN-QUCCMNQESA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046247377 767106660 /nfs/dbraw/zinc/10/66/60/767106660.db2.gz DVCAOPWJWUVABN-QUCCMNQESA-N 1 1 341.455 0.949 20 30 ECEDMO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001046248761 767108395 /nfs/dbraw/zinc/10/83/95/767108395.db2.gz RNCWEDXWCYKGGB-KRWDZBQOSA-N 1 1 343.387 0.230 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3nccn3CC)C2)C1=O ZINC001046276751 767122169 /nfs/dbraw/zinc/12/21/69/767122169.db2.gz SHZIHZWYPBXQRO-KDOFPFPSSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3nccn3CC)C2)C1=O ZINC001046276751 767122171 /nfs/dbraw/zinc/12/21/71/767122171.db2.gz SHZIHZWYPBXQRO-KDOFPFPSSA-N 1 1 345.447 0.884 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046288947 767129558 /nfs/dbraw/zinc/12/95/58/767129558.db2.gz QSDNOFDNYBIWFR-CRAIPNDOSA-N 1 1 345.374 0.866 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046288947 767129559 /nfs/dbraw/zinc/12/95/59/767129559.db2.gz QSDNOFDNYBIWFR-CRAIPNDOSA-N 1 1 345.374 0.866 20 30 ECEDMO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC001089731479 767134303 /nfs/dbraw/zinc/13/43/03/767134303.db2.gz RFEALRZDTZQPDA-ZDUSSCGKSA-N 1 1 343.431 0.819 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001089732525 767136042 /nfs/dbraw/zinc/13/60/42/767136042.db2.gz VMVHXBKUAOUVHK-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001089735575 767136974 /nfs/dbraw/zinc/13/69/74/767136974.db2.gz NIOJTFRALOIVOY-ZDUSSCGKSA-N 1 1 346.435 0.007 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001089735944 767137235 /nfs/dbraw/zinc/13/72/35/767137235.db2.gz RKPVAOWHRCEQPL-OLZOCXBDSA-N 1 1 329.466 0.471 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046320857 767146007 /nfs/dbraw/zinc/14/60/07/767146007.db2.gz LDNGMWBJMTYOGX-SUMWQHHRSA-N 1 1 329.404 0.367 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001046362722 767170388 /nfs/dbraw/zinc/17/03/88/767170388.db2.gz WFLXHRVGBBLPKQ-GOSISDBHSA-N 1 1 329.400 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001046399483 767195967 /nfs/dbraw/zinc/19/59/67/767195967.db2.gz HSSJYIVSJVFPEC-SJKOYZFVSA-N 1 1 347.419 0.405 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)[C@H](OC)C1 ZINC001212318705 767206287 /nfs/dbraw/zinc/20/62/87/767206287.db2.gz HRQXNKGFUBEWEL-FVQBIDKESA-N 1 1 335.448 0.520 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)[C@H](OC)C1 ZINC001212318705 767206288 /nfs/dbraw/zinc/20/62/88/767206288.db2.gz HRQXNKGFUBEWEL-FVQBIDKESA-N 1 1 335.448 0.520 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046425720 767212226 /nfs/dbraw/zinc/21/22/26/767212226.db2.gz KYWWHBCRALEPEU-CQSZACIVSA-N 1 1 327.406 0.697 20 30 ECEDMO CNC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C#N)[nH]1 ZINC001089797247 767221699 /nfs/dbraw/zinc/22/16/99/767221699.db2.gz LDHKTALHLUCQQN-AEIGPULVSA-N 1 1 341.415 0.415 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccnnc3C)C2)C1=O ZINC001046457038 767239099 /nfs/dbraw/zinc/23/90/99/767239099.db2.gz WNEJNJHKBSQKTI-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccnnc3C)C2)C1=O ZINC001046457038 767239102 /nfs/dbraw/zinc/23/91/02/767239102.db2.gz WNEJNJHKBSQKTI-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccnc(OC)c3)C2)C1=O ZINC001031804870 767245923 /nfs/dbraw/zinc/24/59/23/767245923.db2.gz PQDLBJPCFIUTHU-OAHLLOKOSA-N 1 1 344.415 0.539 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c[nH]nc3CCC)C2)C1=O ZINC001031806570 767249251 /nfs/dbraw/zinc/24/92/51/767249251.db2.gz HAIPVQRCXCNFAK-MRXNPFEDSA-N 1 1 345.447 0.811 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3coc(OCC)n3)C2)C1=O ZINC001031814818 767266672 /nfs/dbraw/zinc/26/66/72/767266672.db2.gz XJGHSZICYGKPGO-AWEZNQCLSA-N 1 1 348.403 0.522 20 30 ECEDMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001046545076 767296180 /nfs/dbraw/zinc/29/61/80/767296180.db2.gz XSNHVJGMTXSXFG-AWEZNQCLSA-N 1 1 331.405 0.538 20 30 ECEDMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001046545076 767296181 /nfs/dbraw/zinc/29/61/81/767296181.db2.gz XSNHVJGMTXSXFG-AWEZNQCLSA-N 1 1 331.405 0.538 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001078285949 782616148 /nfs/dbraw/zinc/61/61/48/782616148.db2.gz OAICISBEYFLSIC-HZPDHXFCSA-N 1 1 333.363 0.582 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046588686 767339649 /nfs/dbraw/zinc/33/96/49/767339649.db2.gz QZVDHCFHTLRJEQ-RHSMWYFYSA-N 1 1 327.388 0.320 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046588686 767339654 /nfs/dbraw/zinc/33/96/54/767339654.db2.gz QZVDHCFHTLRJEQ-RHSMWYFYSA-N 1 1 327.388 0.320 20 30 ECEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001046594512 767346750 /nfs/dbraw/zinc/34/67/50/767346750.db2.gz JBPIWHLTZWLYSB-SFHVURJKSA-N 1 1 348.447 0.865 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)cn1 ZINC001089825353 767348052 /nfs/dbraw/zinc/34/80/52/767348052.db2.gz BZRWHMHCEHFIPQ-IVSAIRAKSA-N 1 1 340.427 0.586 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)c1 ZINC001053918810 767357077 /nfs/dbraw/zinc/35/70/77/767357077.db2.gz WIKZFDZTJRZUOX-NVXWUHKLSA-N 1 1 341.411 0.673 20 30 ECEDMO N#CCN1CC2(C1)C[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)CO2 ZINC001053923985 767370621 /nfs/dbraw/zinc/37/06/21/767370621.db2.gz HNIHKTIZMZJAME-CYBMUJFWSA-N 1 1 345.403 0.367 20 30 ECEDMO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924129 767371859 /nfs/dbraw/zinc/37/18/59/767371859.db2.gz LJYYPPORYAJEFZ-CVEARBPZSA-N 1 1 342.443 0.737 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)CO2 ZINC001053927604 767386267 /nfs/dbraw/zinc/38/62/67/767386267.db2.gz GKNWDARRTFMXIY-ILXRZTDVSA-N 1 1 335.448 0.814 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1C ZINC001106153538 767402093 /nfs/dbraw/zinc/40/20/93/767402093.db2.gz HKEBPFXYUHFKIZ-ZIAGYGMSSA-N 1 1 341.415 0.905 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001046635194 767405773 /nfs/dbraw/zinc/40/57/73/767405773.db2.gz QQJJXOBDOFVVOQ-QWQRMKEZSA-N 1 1 349.431 0.307 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(CCC)C1)CO2 ZINC001053941276 767411782 /nfs/dbraw/zinc/41/17/82/767411782.db2.gz VLIIJKFWFFKIMN-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)O1 ZINC001046647014 767414858 /nfs/dbraw/zinc/41/48/58/767414858.db2.gz HMIWPDFZANQSBV-UTJXIGIESA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)O1 ZINC001046647014 767414861 /nfs/dbraw/zinc/41/48/61/767414861.db2.gz HMIWPDFZANQSBV-UTJXIGIESA-N 1 1 343.431 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001089835551 767427718 /nfs/dbraw/zinc/42/77/18/767427718.db2.gz WCJMZFCMVBDBOT-XQLPTFJDSA-N 1 1 344.415 0.304 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccnc2n[nH]nc21 ZINC001089835892 767430833 /nfs/dbraw/zinc/43/08/33/767430833.db2.gz LQTPRQKKMMDEJL-ATGSNQNLSA-N 1 1 336.399 0.769 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046672758 767455993 /nfs/dbraw/zinc/45/59/93/767455993.db2.gz ZJOUCBGJALEZBY-AWEZNQCLSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001046681200 767471481 /nfs/dbraw/zinc/47/14/81/767471481.db2.gz LLLZGHIHOWEIRW-QGZVFWFLSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001046681200 767471489 /nfs/dbraw/zinc/47/14/89/767471489.db2.gz LLLZGHIHOWEIRW-QGZVFWFLSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](CCc3cnn(C)c3)C2)nn1 ZINC001046682100 767472951 /nfs/dbraw/zinc/47/29/51/767472951.db2.gz VWDJHNBOCHSKKZ-KRWDZBQOSA-N 1 1 343.435 0.635 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106169149 767477029 /nfs/dbraw/zinc/47/70/29/767477029.db2.gz AWHBUEAWVXBHRM-SJORKVTESA-N 1 1 345.447 0.963 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCN(C(=O)CC)C1)CO2 ZINC001053975097 767504591 /nfs/dbraw/zinc/50/45/91/767504591.db2.gz CJHJRPVASCMJCT-LSDHHAIUSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn([C@@H]3CCOC3)nn1)CO2 ZINC001053976524 767507752 /nfs/dbraw/zinc/50/77/52/767507752.db2.gz GQVRHFOORLNPFV-ZIAGYGMSSA-N 1 1 347.419 0.389 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3nc(C)nn31)CO2 ZINC001053981601 767523348 /nfs/dbraw/zinc/52/33/48/767523348.db2.gz PIWXGDKNQFYMNR-CYBMUJFWSA-N 1 1 342.403 0.582 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ncccn3)C2)C1=O ZINC001046721116 767540991 /nfs/dbraw/zinc/54/09/91/767540991.db2.gz IGWMJTMPVRSSGQ-DYVFJYSZSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ncccn3)C2)C1=O ZINC001046721116 767540995 /nfs/dbraw/zinc/54/09/95/767540995.db2.gz IGWMJTMPVRSSGQ-DYVFJYSZSA-N 1 1 329.404 0.458 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001046757496 767598477 /nfs/dbraw/zinc/59/84/77/767598477.db2.gz HSOBEXGRXHZEHT-QGZVFWFLSA-N 1 1 331.420 0.847 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN1C(N)=O)CO2 ZINC001054023986 767622535 /nfs/dbraw/zinc/62/25/35/767622535.db2.gz FNJMJHBTRTYBFE-KGLIPLIRSA-N 1 1 336.436 0.455 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001060476518 767689500 /nfs/dbraw/zinc/68/95/00/767689500.db2.gz XFQHBBSTWKWUPX-UYLCMAPUSA-N 1 1 326.404 0.097 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001054102544 767691230 /nfs/dbraw/zinc/69/12/30/767691230.db2.gz OHMYCEFLALYYJO-BLLLJJGKSA-N 1 1 332.408 0.083 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001054102544 767691233 /nfs/dbraw/zinc/69/12/33/767691233.db2.gz OHMYCEFLALYYJO-BLLLJJGKSA-N 1 1 332.408 0.083 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](CCS(C)(=O)=O)C2)C1 ZINC001054102928 767692276 /nfs/dbraw/zinc/69/22/76/767692276.db2.gz VMHZONMSSDBZEU-ZFWWWQNUSA-N 1 1 327.450 0.505 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](CCS(C)(=O)=O)C2)C1 ZINC001054102928 767692278 /nfs/dbraw/zinc/69/22/78/767692278.db2.gz VMHZONMSSDBZEU-ZFWWWQNUSA-N 1 1 327.450 0.505 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001054116694 767703057 /nfs/dbraw/zinc/70/30/57/767703057.db2.gz YBKICHDSFUJQDX-QGZVFWFLSA-N 1 1 329.404 0.560 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001054116339 767703707 /nfs/dbraw/zinc/70/37/07/767703707.db2.gz QHWPTJQMKHRYCF-YVEFUNNKSA-N 1 1 329.404 0.688 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC001054118632 767706422 /nfs/dbraw/zinc/70/64/22/767706422.db2.gz MCMYFZBGWVSDDK-SFHVURJKSA-N 1 1 343.431 0.903 20 30 ECEDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C(N)=O)C2)cc1C#N ZINC001017193598 767708125 /nfs/dbraw/zinc/70/81/25/767708125.db2.gz IVXASNNSDWLUAM-AWEZNQCLSA-N 1 1 344.415 0.723 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)N1C(=O)CCC1=O)C2 ZINC001054141739 767736249 /nfs/dbraw/zinc/73/62/49/767736249.db2.gz OQTLPIZZRYYWTQ-KBXCAEBGSA-N 1 1 331.416 0.472 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)S(C)(=O)=O)C2 ZINC001054153779 767748848 /nfs/dbraw/zinc/74/88/48/767748848.db2.gz ZJOUGHYVKQINNB-GOEBONIOSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)S(C)(=O)=O)C2 ZINC001054153779 767748853 /nfs/dbraw/zinc/74/88/53/767748853.db2.gz ZJOUGHYVKQINNB-GOEBONIOSA-N 1 1 326.462 0.757 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)cn1 ZINC001017248520 767768032 /nfs/dbraw/zinc/76/80/32/767768032.db2.gz MZNOSZBCMKGPSE-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054188026 767787613 /nfs/dbraw/zinc/78/76/13/767787613.db2.gz FQLXXBXPWLRMTM-SFHVURJKSA-N 1 1 326.400 0.858 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001054197336 767795580 /nfs/dbraw/zinc/79/55/80/767795580.db2.gz WGJPIQGWXSHHHT-DAYGRLMNSA-N 1 1 335.448 0.910 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001054207215 767804186 /nfs/dbraw/zinc/80/41/86/767804186.db2.gz VBETUTUUQZKAGG-SUMWQHHRSA-N 1 1 334.420 0.475 20 30 ECEDMO C=CCn1cc(C(=O)NC2C[NH+](C[C@@H](O)C3CCCCC3)C2)nn1 ZINC001031070107 767805256 /nfs/dbraw/zinc/80/52/56/767805256.db2.gz ORQVMBWNDZUAJI-MRXNPFEDSA-N 1 1 333.436 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3n[nH]c(=O)n3c1)C2 ZINC001054214111 767810537 /nfs/dbraw/zinc/81/05/37/767810537.db2.gz RNRMYHNIZIZUGZ-GOSISDBHSA-N 1 1 339.399 0.996 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)[C@@H](O)C1 ZINC001083717739 767819836 /nfs/dbraw/zinc/81/98/36/767819836.db2.gz LLWCMQYPJGMVGJ-ZNMIVQPWSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c(C)cc(C)nc1=O)C2 ZINC001054217662 767822450 /nfs/dbraw/zinc/82/24/50/767822450.db2.gz AZZDCIIZYKQSPZ-LJQANCHMSA-N 1 1 342.443 0.808 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc3occc3[nH]2)C1 ZINC000992957679 767828673 /nfs/dbraw/zinc/82/86/73/767828673.db2.gz XYAPKRYDBBSUHE-HNNXBMFYSA-N 1 1 340.383 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc3occc3[nH]2)C1 ZINC000992957679 767828680 /nfs/dbraw/zinc/82/86/80/767828680.db2.gz XYAPKRYDBBSUHE-HNNXBMFYSA-N 1 1 340.383 0.799 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C2 ZINC001054228396 767838096 /nfs/dbraw/zinc/83/80/96/767838096.db2.gz YVCCCLMNFWGQBD-KRWDZBQOSA-N 1 1 346.387 0.458 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001054234405 767843689 /nfs/dbraw/zinc/84/36/89/767843689.db2.gz CTKPUFJKXDMNSL-WMZOPIPTSA-N 1 1 333.432 0.181 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1CCN1CCNC1=O ZINC000993200210 768449471 /nfs/dbraw/zinc/44/94/71/768449471.db2.gz MOUUXZBNMXVZAK-IUODEOHRSA-N 1 1 344.419 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1cc(C)nc(CO)n1 ZINC001106627970 768526988 /nfs/dbraw/zinc/52/69/88/768526988.db2.gz QJDNGOLRDDBQRG-ZFWWWQNUSA-N 1 1 345.447 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1cc(C)nc(CO)n1 ZINC001106627970 768526992 /nfs/dbraw/zinc/52/69/92/768526992.db2.gz QJDNGOLRDDBQRG-ZFWWWQNUSA-N 1 1 345.447 0.682 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 ZINC001055147620 768607521 /nfs/dbraw/zinc/60/75/21/768607521.db2.gz VEWCXNOTXVDWBP-ILXRZTDVSA-N 1 1 337.387 0.779 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001055339244 768795766 /nfs/dbraw/zinc/79/57/66/768795766.db2.gz AJHVTQLIWAIFGG-LUKYLMHMSA-N 1 1 347.459 0.426 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)C1 ZINC001055362230 768813692 /nfs/dbraw/zinc/81/36/92/768813692.db2.gz OMSOGXITCIXFJU-XZDPQHSOSA-N 1 1 340.431 0.916 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001055381064 768839340 /nfs/dbraw/zinc/83/93/40/768839340.db2.gz RCGTXPGSCCBKJU-OAGGEKHMSA-N 1 1 346.431 0.699 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001018214741 768899705 /nfs/dbraw/zinc/89/97/05/768899705.db2.gz VNHCQFKHSBIDGU-LZWOXQAQSA-N 1 1 339.461 0.157 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001018214741 768899712 /nfs/dbraw/zinc/89/97/12/768899712.db2.gz VNHCQFKHSBIDGU-LZWOXQAQSA-N 1 1 339.461 0.157 20 30 ECEDMO CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001106772991 768912383 /nfs/dbraw/zinc/91/23/83/768912383.db2.gz DKNLXCIXNDBKNT-KRWDZBQOSA-N 1 1 345.447 0.665 20 30 ECEDMO CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001106772991 768912385 /nfs/dbraw/zinc/91/23/85/768912385.db2.gz DKNLXCIXNDBKNT-KRWDZBQOSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCCOCC(=O)NC1CC[NH+](CCNC(=O)C(C)(F)F)CC1 ZINC001055494695 768939100 /nfs/dbraw/zinc/93/91/00/768939100.db2.gz UMUUAYJFSKVVBS-UHFFFAOYSA-N 1 1 347.406 0.931 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C ZINC000993414294 768991912 /nfs/dbraw/zinc/99/19/12/768991912.db2.gz NLKCJEXEGWUVNI-LSDHHAIUSA-N 1 1 348.447 0.482 20 30 ECEDMO Cc1ncc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)s1 ZINC001055539143 769053703 /nfs/dbraw/zinc/05/37/03/769053703.db2.gz JFOYIWTXXVJQKX-NSHDSACASA-N 1 1 349.460 0.922 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCC(Nc3cnc(C#N)cn3)CC2)C1 ZINC001060583693 769070550 /nfs/dbraw/zinc/07/05/50/769070550.db2.gz LPCXXNWAHLSRLN-SSDMNJCBSA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CCC(Nc3cnc(C#N)cn3)CC2)C1 ZINC001060583693 769070560 /nfs/dbraw/zinc/07/05/60/769070560.db2.gz LPCXXNWAHLSRLN-SSDMNJCBSA-N 1 1 344.419 0.518 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)Cc2cc(C)[nH]n2)CC1 ZINC001055557780 769109600 /nfs/dbraw/zinc/10/96/00/769109600.db2.gz OWSRLMVYJAMLPG-UHFFFAOYSA-N 1 1 347.463 0.924 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001042077752 782722023 /nfs/dbraw/zinc/72/20/23/782722023.db2.gz OOSZNODIQXDQPC-HUUCEWRRSA-N 1 1 344.463 0.917 20 30 ECEDMO C#CCCCC(=O)NCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055567936 769135092 /nfs/dbraw/zinc/13/50/92/769135092.db2.gz UMOIHXFGSPPPDV-MRXNPFEDSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCCCC(=O)NCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055567936 769135097 /nfs/dbraw/zinc/13/50/97/769135097.db2.gz UMOIHXFGSPPPDV-MRXNPFEDSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCCCC(=O)NCCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055567935 769135148 /nfs/dbraw/zinc/13/51/48/769135148.db2.gz UMOIHXFGSPPPDV-INIZCTEOSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCCCC(=O)NCCN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055567935 769135154 /nfs/dbraw/zinc/13/51/54/769135154.db2.gz UMOIHXFGSPPPDV-INIZCTEOSA-N 1 1 348.491 0.438 20 30 ECEDMO CC(=O)CCCC(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055573381 769154167 /nfs/dbraw/zinc/15/41/67/769154167.db2.gz BIDFHRYNDLHKOP-UHFFFAOYSA-N 1 1 347.459 0.856 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2cocn2)CC1 ZINC001055573471 769154311 /nfs/dbraw/zinc/15/43/11/769154311.db2.gz XYSPRVRSBFCOQV-UHFFFAOYSA-N 1 1 332.404 0.644 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)CC1 ZINC001018357037 769179219 /nfs/dbraw/zinc/17/92/19/769179219.db2.gz ADUCTRLNEOGNPM-IAGOWNOFSA-N 1 1 349.475 0.982 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)CC1 ZINC001018357874 769182394 /nfs/dbraw/zinc/18/23/94/769182394.db2.gz IZVNJONXMCBIFW-IRXDYDNUSA-N 1 1 347.459 0.429 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 ZINC001042078159 782722498 /nfs/dbraw/zinc/72/24/98/782722498.db2.gz UOISZNLHFBNCFJ-ZFWWWQNUSA-N 1 1 326.462 0.920 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@@H]1C ZINC000993510277 769196762 /nfs/dbraw/zinc/19/67/62/769196762.db2.gz UGSHDVWWTIVDHR-ZFWWWQNUSA-N 1 1 328.416 0.715 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)CC1 ZINC001018370829 769226386 /nfs/dbraw/zinc/22/63/86/769226386.db2.gz BUKKLBKYGUJDMV-AWEZNQCLSA-N 1 1 346.435 0.377 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCCS3(=O)=O)C[C@@H]21 ZINC001042084401 782733792 /nfs/dbraw/zinc/73/37/92/782733792.db2.gz RCXVONNKVOYSAU-GJZGRUSLSA-N 1 1 341.477 0.521 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622440 769279298 /nfs/dbraw/zinc/27/92/98/769279298.db2.gz JRMHGERUQRMHRU-UHFFFAOYSA-N 1 1 349.435 0.982 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2nccs2)CC1 ZINC001055623972 769286666 /nfs/dbraw/zinc/28/66/66/769286666.db2.gz TXINPYDYIYEOIL-NSHDSACASA-N 1 1 335.433 0.613 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2cccnn2)CC1 ZINC001055623951 769286679 /nfs/dbraw/zinc/28/66/79/769286679.db2.gz SLNSRVOMDGXDKU-UHFFFAOYSA-N 1 1 331.420 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@H]1C ZINC000993585123 769301533 /nfs/dbraw/zinc/30/15/33/769301533.db2.gz KYLDQERGXHTDLI-CJNGLKHVSA-N 1 1 329.400 0.767 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2n[nH]cc2F)CC1 ZINC001055631890 769305224 /nfs/dbraw/zinc/30/52/24/769305224.db2.gz MKGXHKCVSPBBSL-SNVBAGLBSA-N 1 1 336.371 0.019 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC000993585793 769310701 /nfs/dbraw/zinc/31/07/01/769310701.db2.gz DDFKKHOUACERRN-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO CC(C)C#CC(=O)NC1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633439 769311167 /nfs/dbraw/zinc/31/11/67/769311167.db2.gz OHCVCGZMPCISQF-UHFFFAOYSA-N 1 1 336.480 0.294 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C ZINC000993619666 769371647 /nfs/dbraw/zinc/37/16/47/769371647.db2.gz HLPRHLFWWIHRDQ-HIFRSBDPSA-N 1 1 339.403 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H]1C ZINC000993654192 769432013 /nfs/dbraw/zinc/43/20/13/769432013.db2.gz BLLSVXBXOKOFRS-KBPBESRZSA-N 1 1 327.388 0.098 20 30 ECEDMO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000993740258 769544068 /nfs/dbraw/zinc/54/40/68/769544068.db2.gz FILNESSIQQQICA-SWLSCSKDSA-N 1 1 330.388 0.543 20 30 ECEDMO CCCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078358060 782767618 /nfs/dbraw/zinc/76/76/18/782767618.db2.gz ILXQZVQXDNYORJ-KGLIPLIRSA-N 1 1 334.424 0.555 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2noc3c2COCC3)C1 ZINC001078358698 782769526 /nfs/dbraw/zinc/76/95/26/782769526.db2.gz UMPPQYBRLWQZKY-OLZOCXBDSA-N 1 1 348.403 0.614 20 30 ECEDMO CCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078359670 782770572 /nfs/dbraw/zinc/77/05/72/782770572.db2.gz BSGXORKVGJHBFT-JSGCOSHPSA-N 1 1 334.424 0.473 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1C ZINC001078360009 782771577 /nfs/dbraw/zinc/77/15/77/782771577.db2.gz JPMSLQXAIIHMHD-KBPBESRZSA-N 1 1 348.451 0.805 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC000993882401 769783510 /nfs/dbraw/zinc/78/35/10/769783510.db2.gz JNPQYSSFRWUEMX-OAHLLOKOSA-N 1 1 346.435 0.279 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000993902264 769810985 /nfs/dbraw/zinc/81/09/85/769810985.db2.gz NWWCUEYTGDTJSK-IOASZLSFSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)c3ncccc3O)C2)C1=O ZINC001018756437 769879682 /nfs/dbraw/zinc/87/96/82/769879682.db2.gz QHLLBCMYCYCRFN-QWHCGFSZSA-N 1 1 330.388 0.378 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)[C@H]2C)nn1 ZINC000993942167 769918024 /nfs/dbraw/zinc/91/80/24/769918024.db2.gz CLOLGEBVUUVNOQ-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)[C@H]2C)nn1 ZINC000993942167 769918032 /nfs/dbraw/zinc/91/80/32/769918032.db2.gz CLOLGEBVUUVNOQ-STQMWFEESA-N 1 1 334.424 0.135 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)[nH]1 ZINC000993949974 769932828 /nfs/dbraw/zinc/93/28/28/769932828.db2.gz DSYMBJOQPHSEGH-AWEZNQCLSA-N 1 1 338.371 0.601 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]21 ZINC001042116760 782798407 /nfs/dbraw/zinc/79/84/07/782798407.db2.gz NGQROVQOBKPDKU-ZBFHGGJFSA-N 1 1 336.395 0.864 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001018831540 770034857 /nfs/dbraw/zinc/03/48/57/770034857.db2.gz SBQSCAWWFRGPNN-HOTGVXAUSA-N 1 1 343.431 0.419 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@H]21 ZINC001042118278 782801282 /nfs/dbraw/zinc/80/12/82/782801282.db2.gz WCLSTBBSJJXSLH-GOEBONIOSA-N 1 1 328.416 0.973 20 30 ECEDMO C#CCCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055894446 770122734 /nfs/dbraw/zinc/12/27/34/770122734.db2.gz CNKRHEUYQLWVMX-APWZRJJASA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](CC)OC)C2)C1 ZINC001018864074 770131341 /nfs/dbraw/zinc/13/13/41/770131341.db2.gz KSYMYUQKQCOHQD-HOTGVXAUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H](CC)OC)C2)C1 ZINC001018864074 770131345 /nfs/dbraw/zinc/13/13/45/770131345.db2.gz KSYMYUQKQCOHQD-HOTGVXAUSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]21 ZINC001042123597 782809085 /nfs/dbraw/zinc/80/90/85/782809085.db2.gz TWYAZKQMXXAIIL-GJZGRUSLSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001018865330 770133356 /nfs/dbraw/zinc/13/33/56/770133356.db2.gz KVVUHPRZCAFIKV-ZNMIVQPWSA-N 1 1 348.451 0.926 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)C[C@H]21 ZINC001042129947 782820519 /nfs/dbraw/zinc/82/05/19/782820519.db2.gz MVVGNQWRRNHHPF-DOTOQJQBSA-N 1 1 343.427 0.664 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001055930834 770261550 /nfs/dbraw/zinc/26/15/50/770261550.db2.gz ADXGQXBDIJKFLP-APWZRJJASA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C ZINC000994192224 770280874 /nfs/dbraw/zinc/28/08/74/770280874.db2.gz CVAIMRWPYXNQAP-KFWWJZLASA-N 1 1 343.431 0.332 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C ZINC000994192224 770280882 /nfs/dbraw/zinc/28/08/82/770280882.db2.gz CVAIMRWPYXNQAP-KFWWJZLASA-N 1 1 343.431 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1C ZINC000994195441 770284827 /nfs/dbraw/zinc/28/48/27/770284827.db2.gz WAGKZAJCQYNPAR-VQHPVUNQSA-N 1 1 347.459 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1C ZINC000994195441 770284832 /nfs/dbraw/zinc/28/48/32/770284832.db2.gz WAGKZAJCQYNPAR-VQHPVUNQSA-N 1 1 347.459 0.331 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H]1C ZINC000994209466 770310058 /nfs/dbraw/zinc/31/00/58/770310058.db2.gz KQKCZDCLNVTXAY-GHMZBOCLSA-N 1 1 334.376 0.502 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C ZINC000994214575 770320055 /nfs/dbraw/zinc/32/00/55/770320055.db2.gz UWVSTGVKBJMFJX-KGLIPLIRSA-N 1 1 336.436 0.816 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001055954343 770352826 /nfs/dbraw/zinc/35/28/26/770352826.db2.gz RCCVDYRAUPDRTG-APWZRJJASA-N 1 1 349.475 0.601 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)[C@H]2C)cn1 ZINC000994252473 770440766 /nfs/dbraw/zinc/44/07/66/770440766.db2.gz PIMHJTKLZRGGQT-WMLDXEAASA-N 1 1 338.415 0.937 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001055991141 770476646 /nfs/dbraw/zinc/47/66/46/770476646.db2.gz HWICSNLPNRULMX-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001055991141 770476655 /nfs/dbraw/zinc/47/66/55/770476655.db2.gz HWICSNLPNRULMX-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1C ZINC001106874623 770504494 /nfs/dbraw/zinc/50/44/94/770504494.db2.gz NCQAMFWMJXLQGY-ZIAGYGMSSA-N 1 1 347.463 0.674 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056032829 770621877 /nfs/dbraw/zinc/62/18/77/770621877.db2.gz SJYFOQMTYRTSPA-IBGZPJMESA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001056059115 770704434 /nfs/dbraw/zinc/70/44/34/770704434.db2.gz JLMMRWQXDMTJMC-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)C3)C1 ZINC001019076766 770726844 /nfs/dbraw/zinc/72/68/44/770726844.db2.gz LUFJADCMWKGHFR-MRXNPFEDSA-N 1 1 345.443 0.181 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)C3)C1 ZINC001019076766 770726847 /nfs/dbraw/zinc/72/68/47/770726847.db2.gz LUFJADCMWKGHFR-MRXNPFEDSA-N 1 1 345.443 0.181 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001056067679 770733633 /nfs/dbraw/zinc/73/36/33/770733633.db2.gz HXELTPIJNICZAF-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C)nc(C)c2F)CC1 ZINC001056067692 770733693 /nfs/dbraw/zinc/73/36/93/770733693.db2.gz RZYOBSKDBMMYPP-HNNXBMFYSA-N 1 1 345.422 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C)nc(C)c2F)CC1 ZINC001056067692 770733703 /nfs/dbraw/zinc/73/37/03/770733703.db2.gz RZYOBSKDBMMYPP-HNNXBMFYSA-N 1 1 345.422 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H](C)OC)CC1 ZINC001060680365 770761600 /nfs/dbraw/zinc/76/16/00/770761600.db2.gz LRGLHWQSCYXCCZ-VQHPVUNQSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H](C)OC)CC1 ZINC001060680365 770761602 /nfs/dbraw/zinc/76/16/02/770761602.db2.gz LRGLHWQSCYXCCZ-VQHPVUNQSA-N 1 1 349.475 0.910 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@@H]1C ZINC000994426333 770780424 /nfs/dbraw/zinc/78/04/24/770780424.db2.gz HZGMNMILLMBACX-UONOGXRCSA-N 1 1 326.404 0.659 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 ZINC001056095650 770812093 /nfs/dbraw/zinc/81/20/93/770812093.db2.gz CQIINYGUJYYWTM-GUYCJALGSA-N 1 1 338.452 0.346 20 30 ECEDMO C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001056097866 770820674 /nfs/dbraw/zinc/82/06/74/770820674.db2.gz WUFUVRAQZDIGMR-GUYCJALGSA-N 1 1 336.436 0.100 20 30 ECEDMO CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 ZINC001078398539 782870127 /nfs/dbraw/zinc/87/01/27/782870127.db2.gz PTHIOEONVUURQK-MRXNPFEDSA-N 1 1 331.420 0.419 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)CC3=CCOCC3)[C@@H](O)C2)c1 ZINC001083753990 770854946 /nfs/dbraw/zinc/85/49/46/770854946.db2.gz UMVMEBPTPBWJRS-MSOLQXFVSA-N 1 1 341.411 0.956 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)CC3=CCOCC3)[C@@H](O)C2)c1 ZINC001083753990 770854958 /nfs/dbraw/zinc/85/49/58/770854958.db2.gz UMVMEBPTPBWJRS-MSOLQXFVSA-N 1 1 341.411 0.956 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1C ZINC000994482067 770883583 /nfs/dbraw/zinc/88/35/83/770883583.db2.gz DKJGHPLMCAKFPG-KBPBESRZSA-N 1 1 348.451 0.525 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2O)CC1 ZINC001083754288 770904968 /nfs/dbraw/zinc/90/49/68/770904968.db2.gz JUYCPXCCHTWXAY-OAGGEKHMSA-N 1 1 335.448 0.515 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2O)CC1 ZINC001083754288 770904971 /nfs/dbraw/zinc/90/49/71/770904971.db2.gz JUYCPXCCHTWXAY-OAGGEKHMSA-N 1 1 335.448 0.515 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001056236965 771028627 /nfs/dbraw/zinc/02/86/27/771028627.db2.gz ZFTZEZGSJNFWSE-CLWVCHIJSA-N 1 1 340.431 0.773 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031418521 771036736 /nfs/dbraw/zinc/03/67/36/771036736.db2.gz LMPSYNMKEKHORA-KRWDZBQOSA-N 1 1 346.406 0.718 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031418521 771036742 /nfs/dbraw/zinc/03/67/42/771036742.db2.gz LMPSYNMKEKHORA-KRWDZBQOSA-N 1 1 346.406 0.718 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001056254847 771047302 /nfs/dbraw/zinc/04/73/02/771047302.db2.gz SUPSXLZGMWIZSR-MKVSYHDVSA-N 1 1 340.431 0.549 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001019367184 771212165 /nfs/dbraw/zinc/21/21/65/771212165.db2.gz RPYWUWZKLPGSPU-CQSZACIVSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CC[N@H+](C)CC ZINC001056401555 771226486 /nfs/dbraw/zinc/22/64/86/771226486.db2.gz HQXVRVMQGAOBAD-BRWVUGGUSA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)C1 ZINC001056406814 771235263 /nfs/dbraw/zinc/23/52/63/771235263.db2.gz GFUJBEOERJCTRN-CVGURMSBSA-N 1 1 326.404 0.241 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3nnnc3c2)CC(C)(C)C1 ZINC001089459027 771241314 /nfs/dbraw/zinc/24/13/14/771241314.db2.gz QXCOKWIQRZZQJR-CQSZACIVSA-N 1 1 326.404 0.978 20 30 ECEDMO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031580308 771332353 /nfs/dbraw/zinc/33/23/53/771332353.db2.gz VGCWTZZLZCKYSR-HZPDHXFCSA-N 1 1 327.384 0.915 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ncoc3CC)C2)C1=O ZINC001031591580 771360331 /nfs/dbraw/zinc/36/03/31/771360331.db2.gz JRCVWTIOPRFXPC-CYBMUJFWSA-N 1 1 332.404 0.686 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccccc3C#N)C2)C1 ZINC001031595133 771364834 /nfs/dbraw/zinc/36/48/34/771364834.db2.gz RMXIRHRERRZDPO-QGZVFWFLSA-N 1 1 328.416 0.437 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccccc3C#N)C2)C1 ZINC001031595133 771364838 /nfs/dbraw/zinc/36/48/38/771364838.db2.gz RMXIRHRERRZDPO-QGZVFWFLSA-N 1 1 328.416 0.437 20 30 ECEDMO C=C(Br)CN1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031593857 771364957 /nfs/dbraw/zinc/36/49/57/771364957.db2.gz LETPELCCXIZRTQ-LBPRGKRZSA-N 1 1 332.242 0.274 20 30 ECEDMO C=C(Br)CN1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031593857 771364962 /nfs/dbraw/zinc/36/49/62/771364962.db2.gz LETPELCCXIZRTQ-LBPRGKRZSA-N 1 1 332.242 0.274 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC(C)(C)C1 ZINC001089514875 771382090 /nfs/dbraw/zinc/38/20/90/771382090.db2.gz QQNZKLFTYJZYDT-XYEKJYRLSA-N 1 1 346.431 0.215 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)CC(C)(C)C1 ZINC001089518450 771390619 /nfs/dbraw/zinc/39/06/19/771390619.db2.gz FNHBGRVCBNGYHP-ZDUSSCGKSA-N 1 1 334.420 0.168 20 30 ECEDMO C[C@H](C(=O)NC1CCCC1)[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031602634 771394331 /nfs/dbraw/zinc/39/43/31/771394331.db2.gz KEGHOBJPAAARNP-GFCCVEGCSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)CC(C)(C)C1 ZINC001089538740 771429814 /nfs/dbraw/zinc/42/98/14/771429814.db2.gz FAOGENICKVAXBZ-HNNXBMFYSA-N 1 1 330.432 0.792 20 30 ECEDMO CC(C)(C)N1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001031619433 771468502 /nfs/dbraw/zinc/46/85/02/771468502.db2.gz XHPWCWWKHOIBJE-HNNXBMFYSA-N 1 1 343.431 0.947 20 30 ECEDMO Cc1cc(N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)c(C#N)cn1 ZINC001056667089 771490317 /nfs/dbraw/zinc/49/03/17/771490317.db2.gz TVWRGYKMIMEJNV-MRXNPFEDSA-N 1 1 343.431 0.419 20 30 ECEDMO CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245783 771527313 /nfs/dbraw/zinc/52/73/13/771527313.db2.gz DCBHAYPHVBGDIF-HZPDHXFCSA-N 1 1 331.420 0.124 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245783 771527315 /nfs/dbraw/zinc/52/73/15/771527315.db2.gz DCBHAYPHVBGDIF-HZPDHXFCSA-N 1 1 331.420 0.124 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001056719166 771552417 /nfs/dbraw/zinc/55/24/17/771552417.db2.gz KGUOXGJYLLEGBZ-JKSUJKDBSA-N 1 1 337.464 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C(C)C)C2)cn1 ZINC001019673727 771702252 /nfs/dbraw/zinc/70/22/52/771702252.db2.gz IAELQTWHLXIFEC-HNNXBMFYSA-N 1 1 339.403 0.635 20 30 ECEDMO CN(c1ncc(C#N)cc1F)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001056879918 771757084 /nfs/dbraw/zinc/75/70/84/771757084.db2.gz PNRJFHUVDDRDMA-DZGCQCFKSA-N 1 1 347.394 0.460 20 30 ECEDMO CN(c1ncc(C#N)cc1F)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001056879918 771757087 /nfs/dbraw/zinc/75/70/87/771757087.db2.gz PNRJFHUVDDRDMA-DZGCQCFKSA-N 1 1 347.394 0.460 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001078441501 782958030 /nfs/dbraw/zinc/95/80/30/782958030.db2.gz WYXOJTNMYKMLBF-LBPRGKRZSA-N 1 1 337.424 0.028 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3snnc3C)C2)CC1 ZINC001019815917 771831459 /nfs/dbraw/zinc/83/14/59/771831459.db2.gz NNCAPJFVENFGCD-HNNXBMFYSA-N 1 1 347.488 0.882 20 30 ECEDMO CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001057006195 771937073 /nfs/dbraw/zinc/93/70/73/771937073.db2.gz MWSYMQKKCBJQNC-GJZGRUSLSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2cnc(F)cn2)C1 ZINC001057060795 772015724 /nfs/dbraw/zinc/01/57/24/772015724.db2.gz QYVGWCFRFNMPKZ-KGLIPLIRSA-N 1 1 331.395 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2cnc(F)cn2)C1 ZINC001057060795 772015731 /nfs/dbraw/zinc/01/57/31/772015731.db2.gz QYVGWCFRFNMPKZ-KGLIPLIRSA-N 1 1 331.395 0.750 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C(C)=C/CC ZINC001057124051 772121501 /nfs/dbraw/zinc/12/15/01/772121501.db2.gz NDZKUHWYVZHPJG-NHKNYXOTSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C(C)=C/CC ZINC001057124051 772121504 /nfs/dbraw/zinc/12/15/04/772121504.db2.gz NDZKUHWYVZHPJG-NHKNYXOTSA-N 1 1 335.448 0.377 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057146552 772164618 /nfs/dbraw/zinc/16/46/18/772164618.db2.gz AHUFUBPLQWGJQP-OAHLLOKOSA-N 1 1 344.419 0.108 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001057146552 772164623 /nfs/dbraw/zinc/16/46/23/772164623.db2.gz AHUFUBPLQWGJQP-OAHLLOKOSA-N 1 1 344.419 0.108 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C[C@@H]21 ZINC001042254613 782989051 /nfs/dbraw/zinc/98/90/51/782989051.db2.gz MOUGFJMRKNGHPH-ZFWWWQNUSA-N 1 1 346.431 0.197 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057211442 772284783 /nfs/dbraw/zinc/28/47/83/772284783.db2.gz FREAXIZGVJJEOQ-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001057212385 772287472 /nfs/dbraw/zinc/28/74/72/772287472.db2.gz NEPGRASFLYMFFF-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)CCC ZINC001057225202 772306532 /nfs/dbraw/zinc/30/65/32/772306532.db2.gz WGAQUXOLEJRBRZ-CVEARBPZSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)CCC ZINC001057225202 772306538 /nfs/dbraw/zinc/30/65/38/772306538.db2.gz WGAQUXOLEJRBRZ-CVEARBPZSA-N 1 1 337.464 0.457 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057234904 772318947 /nfs/dbraw/zinc/31/89/47/772318947.db2.gz UKCTXZGMSGQPAI-ZIAGYGMSSA-N 1 1 328.420 0.585 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCCN(c3ccc(C#N)nn3)CC2)CC[N@H+]1C ZINC001057248648 772339120 /nfs/dbraw/zinc/33/91/20/772339120.db2.gz ZKGJQEUYDLOSTG-UKRRQHHQSA-N 1 1 328.420 0.727 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057256267 772353456 /nfs/dbraw/zinc/35/34/56/772353456.db2.gz ZKENPIAQDTUERR-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C)nn1 ZINC001020269403 772375792 /nfs/dbraw/zinc/37/57/92/772375792.db2.gz UMBDNJLQYLOVOD-MJBXVCDLSA-N 1 1 346.435 0.135 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)c1cc(C#N)c[nH]1 ZINC001078471653 783014511 /nfs/dbraw/zinc/01/45/11/783014511.db2.gz ZKSHVBQMGXEMMR-OLZOCXBDSA-N 1 1 331.420 0.853 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 ZINC001057392379 772561132 /nfs/dbraw/zinc/56/11/32/772561132.db2.gz JIVOKGDJVFSBAF-UHFFFAOYSA-N 1 1 325.376 0.956 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)CC[N@H+](C)CCC ZINC001057439249 772615479 /nfs/dbraw/zinc/61/54/79/772615479.db2.gz DQIQUHQIMUXIEP-UHFFFAOYSA-N 1 1 325.453 0.459 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(Nc3nccnc3C#N)CC2)O1 ZINC001057452543 772634569 /nfs/dbraw/zinc/63/45/69/772634569.db2.gz OZOUFAKOFAMKNQ-IUODEOHRSA-N 1 1 344.419 0.470 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(Nc3nccnc3C#N)CC2)O1 ZINC001057452543 772634571 /nfs/dbraw/zinc/63/45/71/772634571.db2.gz OZOUFAKOFAMKNQ-IUODEOHRSA-N 1 1 344.419 0.470 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057536408 772731743 /nfs/dbraw/zinc/73/17/43/772731743.db2.gz WPNSKMLTTYJALY-UHFFFAOYSA-N 1 1 346.431 0.357 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CNc2ccnc(C#N)n2)CC1 ZINC001057541636 772737903 /nfs/dbraw/zinc/73/79/03/772737903.db2.gz NERDSJZBKUAVRG-DZGCQCFKSA-N 1 1 342.447 0.618 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001057602980 772801241 /nfs/dbraw/zinc/80/12/41/772801241.db2.gz ZKSGBSWAXLXOAP-ZFWWWQNUSA-N 1 1 344.419 0.390 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001057602980 772801244 /nfs/dbraw/zinc/80/12/44/772801244.db2.gz ZKSGBSWAXLXOAP-ZFWWWQNUSA-N 1 1 344.419 0.390 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1C(C)C ZINC001057619070 772822558 /nfs/dbraw/zinc/82/25/58/772822558.db2.gz DHJOLLRJLRDJCC-UHFFFAOYSA-N 1 1 348.447 0.603 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057635739 772842562 /nfs/dbraw/zinc/84/25/62/772842562.db2.gz IIERMWKLRWQEBQ-GJZGRUSLSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001057874095 773108571 /nfs/dbraw/zinc/10/85/71/773108571.db2.gz VHZJCIHCYPOWLJ-INIZCTEOSA-N 1 1 339.480 0.868 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001057874499 773109155 /nfs/dbraw/zinc/10/91/55/773109155.db2.gz NRYMPYNTXZNDPV-ZDUSSCGKSA-N 1 1 328.420 0.693 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N ZINC001057874837 773110124 /nfs/dbraw/zinc/11/01/24/773110124.db2.gz CKXHGIPLHXTRTJ-CABCVRRESA-N 1 1 338.452 0.346 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057946010 773247031 /nfs/dbraw/zinc/24/70/31/773247031.db2.gz OENJYRAIESMIRY-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC1CCC1 ZINC001057961158 773290822 /nfs/dbraw/zinc/29/08/22/773290822.db2.gz KUFPKLVSBSCXRS-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC1CCC1 ZINC001057961158 773290827 /nfs/dbraw/zinc/29/08/27/773290827.db2.gz KUFPKLVSBSCXRS-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(c3cnc(C#N)cn3)CC2)O1 ZINC001057969211 773308054 /nfs/dbraw/zinc/30/80/54/773308054.db2.gz HXJJCMQWQQSGAN-IUODEOHRSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(c3cnc(C#N)cn3)CC2)O1 ZINC001057969211 773308061 /nfs/dbraw/zinc/30/80/61/773308061.db2.gz HXJJCMQWQQSGAN-IUODEOHRSA-N 1 1 344.419 0.152 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001057972515 773314751 /nfs/dbraw/zinc/31/47/51/773314751.db2.gz IJIHJJYRHKYIST-OAHLLOKOSA-N 1 1 328.420 0.918 20 30 ECEDMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058041155 773411283 /nfs/dbraw/zinc/41/12/83/773411283.db2.gz RYECPTNPRABLFQ-OAHLLOKOSA-N 1 1 328.420 0.870 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N ZINC001058054950 773442517 /nfs/dbraw/zinc/44/25/17/773442517.db2.gz UDEBGBDIVSQKCH-CABCVRRESA-N 1 1 338.452 0.204 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058087082 773508451 /nfs/dbraw/zinc/50/84/51/773508451.db2.gz CWOCWGAKDYCYNJ-CJNGLKHVSA-N 1 1 342.447 0.973 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001058096557 773529756 /nfs/dbraw/zinc/52/97/56/773529756.db2.gz JNMCCEGLFAAADU-UHFFFAOYSA-N 1 1 346.431 0.322 20 30 ECEDMO Cc1nsc(N2CCC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001058134965 773605679 /nfs/dbraw/zinc/60/56/79/773605679.db2.gz SVPYSZJSCCWIFJ-OCCSQVGLSA-N 1 1 349.460 0.739 20 30 ECEDMO Cc1nsc(N2CCC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001058134965 773605681 /nfs/dbraw/zinc/60/56/81/773605681.db2.gz SVPYSZJSCCWIFJ-OCCSQVGLSA-N 1 1 349.460 0.739 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058158476 773662508 /nfs/dbraw/zinc/66/25/08/773662508.db2.gz ZLBUEHCPJRJFPK-INIZCTEOSA-N 1 1 337.464 0.459 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058176846 773707875 /nfs/dbraw/zinc/70/78/75/773707875.db2.gz IPFWXVHXZIOIEE-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCCN(c2nc(C)cc(C#N)n2)C1 ZINC001058212047 773782371 /nfs/dbraw/zinc/78/23/71/773782371.db2.gz YHLHMNFHPVVTAU-AWEZNQCLSA-N 1 1 339.403 0.947 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058218718 773792703 /nfs/dbraw/zinc/79/27/03/773792703.db2.gz AXJFRHLYAADHCG-HIFRSBDPSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058241341 773829079 /nfs/dbraw/zinc/82/90/79/773829079.db2.gz OHJCNUDCPAIPLT-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058241682 773830052 /nfs/dbraw/zinc/83/00/52/773830052.db2.gz XCSXDDZTCANCLT-KGLIPLIRSA-N 1 1 328.420 0.918 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058241667 773830225 /nfs/dbraw/zinc/83/02/25/773830225.db2.gz WSKOEGGXIFEIEM-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058303930 773938365 /nfs/dbraw/zinc/93/83/65/773938365.db2.gz OMNBSWMJLKHHCX-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058317430 773962498 /nfs/dbraw/zinc/96/24/98/773962498.db2.gz WKYHBWRZXRFTAC-HUUCEWRRSA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058317430 773962503 /nfs/dbraw/zinc/96/25/03/773962503.db2.gz WKYHBWRZXRFTAC-HUUCEWRRSA-N 1 1 329.404 0.287 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001058437452 774178464 /nfs/dbraw/zinc/17/84/64/774178464.db2.gz DPXGYMQLVDCOFV-LSDHHAIUSA-N 1 1 339.480 0.866 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001058437779 774179442 /nfs/dbraw/zinc/17/94/42/774179442.db2.gz KCKDRMBMOPZSMT-KBPBESRZSA-N 1 1 336.436 0.587 20 30 ECEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001058442880 774190321 /nfs/dbraw/zinc/19/03/21/774190321.db2.gz VFFVIXOEDYWLTO-HZPDHXFCSA-N 1 1 337.464 0.315 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncc(C#N)cc2F)C1 ZINC001058590981 774493683 /nfs/dbraw/zinc/49/36/83/774493683.db2.gz RUENVNUFUHGERM-HOCLYGCPSA-N 1 1 341.390 0.885 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncc(C#N)cc2F)C1 ZINC001058590981 774493687 /nfs/dbraw/zinc/49/36/87/774493687.db2.gz RUENVNUFUHGERM-HOCLYGCPSA-N 1 1 341.390 0.885 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3cnon3)C[C@@H]2C)CC1 ZINC001044870864 774693884 /nfs/dbraw/zinc/69/38/84/774693884.db2.gz HBIVOWPFHFWZGT-HOCLYGCPSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039859176 783201823 /nfs/dbraw/zinc/20/18/23/783201823.db2.gz YMXKSJVBMZZSST-IIDMSEBBSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1-c1ccccc1 ZINC001044960953 774771607 /nfs/dbraw/zinc/77/16/07/774771607.db2.gz JAWFRUFUDVADIQ-ZFWWWQNUSA-N 1 1 339.403 0.903 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001045007504 774830852 /nfs/dbraw/zinc/83/08/52/774830852.db2.gz XTMUVXSRKGROQG-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001045058427 774909582 /nfs/dbraw/zinc/90/95/82/774909582.db2.gz DVLDLMNBOXVVCB-CQSZACIVSA-N 1 1 325.453 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)CC(=C)C)C1 ZINC001045064114 774920142 /nfs/dbraw/zinc/92/01/42/774920142.db2.gz LFYLAABGWRYHOQ-CVEARBPZSA-N 1 1 347.459 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)CC(=C)C)C1 ZINC001045064114 774920144 /nfs/dbraw/zinc/92/01/44/774920144.db2.gz LFYLAABGWRYHOQ-CVEARBPZSA-N 1 1 347.459 0.376 20 30 ECEDMO Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1C#N ZINC001043873351 775169453 /nfs/dbraw/zinc/16/94/53/775169453.db2.gz BHKRTDHLCSIEMZ-AGIUHOORSA-N 1 1 335.433 0.083 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+][C@H](C)c2nnnn2C)cn1 ZINC001045280660 775308842 /nfs/dbraw/zinc/30/88/42/775308842.db2.gz PDYUDWQQLBRVCN-DOMZBBRYSA-N 1 1 339.403 0.542 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001043918370 775312720 /nfs/dbraw/zinc/31/27/20/775312720.db2.gz PJLYCFXOLVNRPG-UHFFFAOYSA-N 1 1 346.431 0.418 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](CC)CCC)C1 ZINC001045346934 775459612 /nfs/dbraw/zinc/45/96/12/775459612.db2.gz JXNDWEQLQZKBTG-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](CC)CCC)C1 ZINC001045346934 775459622 /nfs/dbraw/zinc/45/96/22/775459622.db2.gz JXNDWEQLQZKBTG-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044012010 775512108 /nfs/dbraw/zinc/51/21/08/775512108.db2.gz ZFWONTIMLLMKHH-RHSMWYFYSA-N 1 1 337.464 0.620 20 30 ECEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 ZINC001045559588 775800210 /nfs/dbraw/zinc/80/02/10/775800210.db2.gz MOWKRGPQEPQJHA-OLZOCXBDSA-N 1 1 347.419 0.246 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001045587327 775839751 /nfs/dbraw/zinc/83/97/51/775839751.db2.gz ZBLUJSHMGLKNHT-UHFFFAOYSA-N 1 1 327.812 0.762 20 30 ECEDMO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3cnnn3C)CC2)nc1 ZINC001045625623 775914963 /nfs/dbraw/zinc/91/49/63/775914963.db2.gz VLWLFJHUKPISJP-UHFFFAOYSA-N 1 1 338.415 0.976 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001045645952 775959533 /nfs/dbraw/zinc/95/95/33/775959533.db2.gz OFIPXNCBCCEXBP-UHFFFAOYSA-N 1 1 340.815 0.100 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001068497205 790409988 /nfs/dbraw/zinc/40/99/88/790409988.db2.gz OJNMMHWYQHNAFU-YDHLFZDLSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001068497205 790409996 /nfs/dbraw/zinc/40/99/96/790409996.db2.gz OJNMMHWYQHNAFU-YDHLFZDLSA-N 1 1 344.419 0.376 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044303048 776101647 /nfs/dbraw/zinc/10/16/47/776101647.db2.gz RXYAKWCDNVOQSS-UONOGXRCSA-N 1 1 325.453 0.476 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044303047 776101815 /nfs/dbraw/zinc/10/18/15/776101815.db2.gz RXYAKWCDNVOQSS-KGLIPLIRSA-N 1 1 325.453 0.476 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)[nH]1 ZINC001045757206 776147006 /nfs/dbraw/zinc/14/70/06/776147006.db2.gz CBELAZUVHMBVIW-VNHYZAJKSA-N 1 1 327.388 0.454 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC2CC2)c[nH]1 ZINC001045758692 776151383 /nfs/dbraw/zinc/15/13/83/776151383.db2.gz ZMSFSWLBLAOQKW-CVEARBPZSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC2CC2)c[nH]1 ZINC001045758692 776151391 /nfs/dbraw/zinc/15/13/91/776151391.db2.gz ZMSFSWLBLAOQKW-CVEARBPZSA-N 1 1 341.415 0.844 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2nccc2C)[C@@H](n2ccnn2)C1 ZINC001070043834 790434038 /nfs/dbraw/zinc/43/40/38/790434038.db2.gz LVCAIXPXZDBCFJ-CABCVRRESA-N 1 1 329.408 0.401 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2nccc2C)[C@@H](n2ccnn2)C1 ZINC001070043834 790434045 /nfs/dbraw/zinc/43/40/45/790434045.db2.gz LVCAIXPXZDBCFJ-CABCVRRESA-N 1 1 329.408 0.401 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001044459851 776320622 /nfs/dbraw/zinc/32/06/22/776320622.db2.gz DTSQQRCGUYRCQU-LSDHHAIUSA-N 1 1 349.475 0.763 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070050674 790454078 /nfs/dbraw/zinc/45/40/78/790454078.db2.gz MMXSRPJCNCNGOJ-KFWWJZLASA-N 1 1 346.435 0.255 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)nn1 ZINC001070051714 790456377 /nfs/dbraw/zinc/45/63/77/790456377.db2.gz LSDGGFQSXBKRSD-HIFRSBDPSA-N 1 1 342.407 0.121 20 30 ECEDMO C#CCCCCC(=O)N(CC)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001079639292 776584554 /nfs/dbraw/zinc/58/45/54/776584554.db2.gz YOVWVDWDXPXLFS-UHFFFAOYSA-N 1 1 349.475 0.962 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642871 776590775 /nfs/dbraw/zinc/59/07/75/776590775.db2.gz PRBGHRQZLAANCQ-DAXOMENPSA-N 1 1 345.374 0.722 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642871 776590780 /nfs/dbraw/zinc/59/07/80/776590780.db2.gz PRBGHRQZLAANCQ-DAXOMENPSA-N 1 1 345.374 0.722 20 30 ECEDMO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H](C)C1 ZINC001044668848 776610101 /nfs/dbraw/zinc/61/01/01/776610101.db2.gz DSGWLDQLGHCIFI-CABCVRRESA-N 1 1 332.448 0.977 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001079773196 776840236 /nfs/dbraw/zinc/84/02/36/776840236.db2.gz BGIDYIJVVXAPGG-GDBMZVCRSA-N 1 1 335.448 0.283 20 30 ECEDMO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079773412 776841468 /nfs/dbraw/zinc/84/14/68/776841468.db2.gz JTPVDXWFFLBUIR-QGZVFWFLSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079859976 776990202 /nfs/dbraw/zinc/99/02/02/776990202.db2.gz QJPMRCALFHBONH-GDBMZVCRSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1C ZINC001079878403 777011391 /nfs/dbraw/zinc/01/13/91/777011391.db2.gz XIMRWZQXSZQGRF-YUELXQCFSA-N 1 1 331.420 0.412 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1C ZINC001079878403 777011404 /nfs/dbraw/zinc/01/14/04/777011404.db2.gz XIMRWZQXSZQGRF-YUELXQCFSA-N 1 1 331.420 0.412 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079878412 777011646 /nfs/dbraw/zinc/01/16/46/777011646.db2.gz XVAYNUWUHGMTGE-OIISXLGYSA-N 1 1 346.475 0.141 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001079878412 777011651 /nfs/dbraw/zinc/01/16/51/777011651.db2.gz XVAYNUWUHGMTGE-OIISXLGYSA-N 1 1 346.475 0.141 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001070072475 790509432 /nfs/dbraw/zinc/50/94/32/790509432.db2.gz JXYNPFFCCZSEJU-CVEARBPZSA-N 1 1 343.435 0.655 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nccn3c2)[C@@H](n2ccnn2)C1 ZINC001070072879 790510529 /nfs/dbraw/zinc/51/05/29/790510529.db2.gz UQPZEOYZYAUNOZ-CABCVRRESA-N 1 1 337.387 0.767 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3nccn3c2)[C@@H](n2ccnn2)C1 ZINC001070072879 790510542 /nfs/dbraw/zinc/51/05/42/790510542.db2.gz UQPZEOYZYAUNOZ-CABCVRRESA-N 1 1 337.387 0.767 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001079981429 777188216 /nfs/dbraw/zinc/18/82/16/777188216.db2.gz RAATZPXYWHAMMN-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](C)OCC=C)C1 ZINC001080008942 777221456 /nfs/dbraw/zinc/22/14/56/777221456.db2.gz JWQIRACRKCUYLT-RDJZCZTQSA-N 1 1 347.459 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@H](C)OCC=C)C1 ZINC001080008942 777221462 /nfs/dbraw/zinc/22/14/62/777221462.db2.gz JWQIRACRKCUYLT-RDJZCZTQSA-N 1 1 347.459 0.734 20 30 ECEDMO CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)CSCC#N)C1 ZINC001080051175 777305359 /nfs/dbraw/zinc/30/53/59/777305359.db2.gz PEFDLBYASAVABI-AWEZNQCLSA-N 1 1 338.477 0.787 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001080193633 777533953 /nfs/dbraw/zinc/53/39/53/777533953.db2.gz GKELWAOPIDUQPL-UHFFFAOYSA-N 1 1 325.453 0.980 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281309 777642587 /nfs/dbraw/zinc/64/25/87/777642587.db2.gz ZPJMAOFBNOBFJW-BXUZGUMPSA-N 1 1 325.376 0.332 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001080308325 777666048 /nfs/dbraw/zinc/66/60/48/777666048.db2.gz GCJVMBPWGQGPPV-ZBFHGGJFSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001080308325 777666056 /nfs/dbraw/zinc/66/60/56/777666056.db2.gz GCJVMBPWGQGPPV-ZBFHGGJFSA-N 1 1 337.464 0.979 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001043104247 777734187 /nfs/dbraw/zinc/73/41/87/777734187.db2.gz LUSSJDBTRALRIP-WQVCFCJDSA-N 1 1 343.431 0.851 20 30 ECEDMO Cc1ccc(C#N)c(N[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001043104247 777734191 /nfs/dbraw/zinc/73/41/91/777734191.db2.gz LUSSJDBTRALRIP-WQVCFCJDSA-N 1 1 343.431 0.851 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080414485 777816655 /nfs/dbraw/zinc/81/66/55/777816655.db2.gz MQJOVMUYDGETJC-GXTWGEPZSA-N 1 1 343.431 0.973 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001043202773 777948142 /nfs/dbraw/zinc/94/81/42/777948142.db2.gz UWVVNEQJWMYHOY-UHFFFAOYSA-N 1 1 345.871 0.796 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)O1 ZINC001068564526 790581155 /nfs/dbraw/zinc/58/11/55/790581155.db2.gz UZCRTXUIONOFRK-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080560847 778043719 /nfs/dbraw/zinc/04/37/19/778043719.db2.gz DJJKCWXLTASZTI-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043267474 778071803 /nfs/dbraw/zinc/07/18/03/778071803.db2.gz UVQRRPHNQMOGPY-HUUCEWRRSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(C)nc2)[C@@H](n2ccnn2)C1 ZINC001070096130 790590997 /nfs/dbraw/zinc/59/09/97/790590997.db2.gz JGIFNHWZTQEJEE-CVEARBPZSA-N 1 1 326.404 0.752 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C)nc2)[C@@H](n2ccnn2)C1 ZINC001070096130 790591006 /nfs/dbraw/zinc/59/10/06/790591006.db2.gz JGIFNHWZTQEJEE-CVEARBPZSA-N 1 1 326.404 0.752 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2C)nn1 ZINC001080589652 778101480 /nfs/dbraw/zinc/10/14/80/778101480.db2.gz FDQIFHUZBMTOKB-JHJVBQTASA-N 1 1 334.424 0.039 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2C)nn1 ZINC001080589652 778101484 /nfs/dbraw/zinc/10/14/84/778101484.db2.gz FDQIFHUZBMTOKB-JHJVBQTASA-N 1 1 334.424 0.039 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102286 790611874 /nfs/dbraw/zinc/61/18/74/790611874.db2.gz AOLXVROSBSUNAF-ZACQAIPSSA-N 1 1 344.463 0.517 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070102478 790613977 /nfs/dbraw/zinc/61/39/77/790613977.db2.gz MILNOHHFGFFECN-SJORKVTESA-N 1 1 338.415 0.969 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070102478 790613984 /nfs/dbraw/zinc/61/39/84/790613984.db2.gz MILNOHHFGFFECN-SJORKVTESA-N 1 1 338.415 0.969 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001043464752 778379689 /nfs/dbraw/zinc/37/96/89/778379689.db2.gz YQGKUMJCTWGPSD-ZFWWWQNUSA-N 1 1 348.447 0.243 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001043530576 778479439 /nfs/dbraw/zinc/47/94/39/778479439.db2.gz KYJKFAHSJLXRRX-UHFFFAOYSA-N 1 1 349.475 0.907 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070108720 790631514 /nfs/dbraw/zinc/63/15/14/790631514.db2.gz MPFDJWCBFYLAGZ-MRXNPFEDSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043614293 778596007 /nfs/dbraw/zinc/59/60/07/778596007.db2.gz HICQVDHPYOREPL-UHFFFAOYSA-N 1 1 325.453 0.618 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001043678637 778707677 /nfs/dbraw/zinc/70/76/77/778707677.db2.gz IBSNVONKJYXLRB-LSDHHAIUSA-N 1 1 335.448 0.659 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 ZINC001068588956 790645398 /nfs/dbraw/zinc/64/53/98/790645398.db2.gz PBHRTTWZVBOZPK-QHSBEEBCSA-N 1 1 328.420 0.853 20 30 ECEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001070116112 790658635 /nfs/dbraw/zinc/65/86/35/790658635.db2.gz NYZHBVCZOGSOAC-NEPJUHHUSA-N 1 1 340.225 0.938 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001042273340 779956980 /nfs/dbraw/zinc/95/69/80/779956980.db2.gz RTJZFIPQCPRKOH-ZBFHGGJFSA-N 1 1 328.416 0.823 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cnccc3=O)C[C@@H]21 ZINC001042292959 780007618 /nfs/dbraw/zinc/00/76/18/780007618.db2.gz ZKRBNSSABKXQGJ-HOTGVXAUSA-N 1 1 328.416 0.580 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]21 ZINC001042312020 780051604 /nfs/dbraw/zinc/05/16/04/780051604.db2.gz LYWOORXICXLEBL-NEPJUHHUSA-N 1 1 346.387 0.456 20 30 ECEDMO C=CCOCCCC(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001042312709 780052955 /nfs/dbraw/zinc/05/29/55/780052955.db2.gz OXHDNBFJEWFFBR-UHFFFAOYSA-N 1 1 341.452 0.001 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001042320067 780068678 /nfs/dbraw/zinc/06/86/78/780068678.db2.gz MSPDTUHQPLCUBR-HIFRSBDPSA-N 1 1 342.399 0.115 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001042320067 780068683 /nfs/dbraw/zinc/06/86/83/780068683.db2.gz MSPDTUHQPLCUBR-HIFRSBDPSA-N 1 1 342.399 0.115 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3nc4nccc(C)n4n3)C[C@@H]21 ZINC001042334066 780088541 /nfs/dbraw/zinc/08/85/41/780088541.db2.gz DMHCOPNJWPTXAG-GJZGRUSLSA-N 1 1 338.415 0.992 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001042345039 780108391 /nfs/dbraw/zinc/10/83/91/780108391.db2.gz HCECYEHWOHIJLY-ZIAGYGMSSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@H]21 ZINC001042344945 780108407 /nfs/dbraw/zinc/10/84/07/780108407.db2.gz FAFWSPOQGMZILA-GOEBONIOSA-N 1 1 332.448 0.723 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CCC)n3)C[C@H]21 ZINC001042351943 780121713 /nfs/dbraw/zinc/12/17/13/780121713.db2.gz VLCMISOWNQKLJB-GDBMZVCRSA-N 1 1 328.416 0.823 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]21 ZINC001042376380 780165528 /nfs/dbraw/zinc/16/55/28/780165528.db2.gz REQPANCPNIYOBJ-BBRMVZONSA-N 1 1 326.400 0.740 20 30 ECEDMO Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070156928 790777800 /nfs/dbraw/zinc/77/78/00/790777800.db2.gz BNDNOJQMDBWRDP-GDLCADMTSA-N 1 1 329.364 0.276 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001070157500 790778279 /nfs/dbraw/zinc/77/82/79/790778279.db2.gz ZWLCUMKGKGPYKT-MJBXVCDLSA-N 1 1 339.827 0.799 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](n2ccnn2)C1 ZINC001070159440 790785409 /nfs/dbraw/zinc/78/54/09/790785409.db2.gz CLMKOBLYPAXAJG-XKQJLSEDSA-N 1 1 349.398 0.851 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042510840 780367701 /nfs/dbraw/zinc/36/77/01/780367701.db2.gz OPPKUDKGCXTAMW-MGPQQGTHSA-N 1 1 328.420 0.773 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2cc(F)ccc2C#N)C1 ZINC001042573500 780466610 /nfs/dbraw/zinc/46/66/10/780466610.db2.gz KSNUDJDHJYEUQN-KRWDZBQOSA-N 1 1 346.406 0.671 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2cc(F)ccc2C#N)C1 ZINC001042573500 780466611 /nfs/dbraw/zinc/46/66/11/780466611.db2.gz KSNUDJDHJYEUQN-KRWDZBQOSA-N 1 1 346.406 0.671 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001042715088 780682467 /nfs/dbraw/zinc/68/24/67/780682467.db2.gz MRERZJLRNLXQBY-IRXDYDNUSA-N 1 1 348.491 0.789 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnon2)C1 ZINC001079146105 780813382 /nfs/dbraw/zinc/81/33/82/780813382.db2.gz SEFKFWPSPXTCRS-HZPDHXFCSA-N 1 1 328.372 0.943 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnon2)C1 ZINC001079146105 780813385 /nfs/dbraw/zinc/81/33/85/780813385.db2.gz SEFKFWPSPXTCRS-HZPDHXFCSA-N 1 1 328.372 0.943 20 30 ECEDMO C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2cocn2)CC1 ZINC001079164466 780846002 /nfs/dbraw/zinc/84/60/02/780846002.db2.gz FCUREWMMGJRKQE-CQSZACIVSA-N 1 1 347.419 0.879 20 30 ECEDMO CO[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001042836841 780917433 /nfs/dbraw/zinc/91/74/33/780917433.db2.gz XFXXJZZCXAMDRE-NWANDNLSSA-N 1 1 347.394 0.364 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C)SC)C1 ZINC001079361724 781028897 /nfs/dbraw/zinc/02/88/97/781028897.db2.gz BJTAGYKIQCVGPX-ZFWWWQNUSA-N 1 1 337.489 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](C)SC)C1 ZINC001079361724 781028904 /nfs/dbraw/zinc/02/89/04/781028904.db2.gz BJTAGYKIQCVGPX-ZFWWWQNUSA-N 1 1 337.489 0.895 20 30 ECEDMO CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042948699 781085215 /nfs/dbraw/zinc/08/52/15/781085215.db2.gz KICSGMZUCIVOSN-HZSPNIEDSA-N 1 1 344.419 0.152 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042949549 781085971 /nfs/dbraw/zinc/08/59/71/781085971.db2.gz VOAJUAUDQGREBY-QLFBSQMISA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cnnn2CC)C1 ZINC001042959932 781101022 /nfs/dbraw/zinc/10/10/22/781101022.db2.gz GODOUHXSASADGV-INIZCTEOSA-N 1 1 330.436 0.038 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cnnn2CC)C1 ZINC001042959932 781101025 /nfs/dbraw/zinc/10/10/25/781101025.db2.gz GODOUHXSASADGV-INIZCTEOSA-N 1 1 330.436 0.038 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001079422452 781101442 /nfs/dbraw/zinc/10/14/42/781101442.db2.gz STAJBIMIFFVRJS-RBSFLKMASA-N 1 1 331.420 0.107 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nccc(C)n2)C1 ZINC001042960463 781102746 /nfs/dbraw/zinc/10/27/46/781102746.db2.gz OTWXCTQHBDRQRO-INIZCTEOSA-N 1 1 327.432 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nccc(C)n2)C1 ZINC001042960463 781102749 /nfs/dbraw/zinc/10/27/49/781102749.db2.gz OTWXCTQHBDRQRO-INIZCTEOSA-N 1 1 327.432 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cc3n(n2)CCC3)C1 ZINC001042961073 781104192 /nfs/dbraw/zinc/10/41/92/781104192.db2.gz XBTCRMNLYAUYCS-SFHVURJKSA-N 1 1 341.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cc3n(n2)CCC3)C1 ZINC001042961073 781104198 /nfs/dbraw/zinc/10/41/98/781104198.db2.gz XBTCRMNLYAUYCS-SFHVURJKSA-N 1 1 341.459 0.570 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001079543837 781247242 /nfs/dbraw/zinc/24/72/42/781247242.db2.gz WBXIFEGQRKIGLC-BDJLRTHQSA-N 1 1 341.419 0.845 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043060509 781257590 /nfs/dbraw/zinc/25/75/90/781257590.db2.gz UHZKRGMHKKYJTF-JKSUJKDBSA-N 1 1 347.459 0.210 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2O)c1 ZINC001077648571 781422571 /nfs/dbraw/zinc/42/25/71/781422571.db2.gz MHFIDRMEGCENJW-BRWVUGGUSA-N 1 1 329.400 0.407 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2O)c1 ZINC001077648572 781422703 /nfs/dbraw/zinc/42/27/03/781422703.db2.gz MHFIDRMEGCENJW-GVDBMIGSSA-N 1 1 329.400 0.407 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001077650070 781425690 /nfs/dbraw/zinc/42/56/90/781425690.db2.gz RDZKFHOCLJSIMK-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)CN3CCOCC3)C2)C1 ZINC001041408110 781448938 /nfs/dbraw/zinc/44/89/38/781448938.db2.gz KJHJHZVYWCOOIK-IBGZPJMESA-N 1 1 333.476 0.902 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)CN3CCOCC3)C2)C1 ZINC001041408110 781448944 /nfs/dbraw/zinc/44/89/44/781448944.db2.gz KJHJHZVYWCOOIK-IBGZPJMESA-N 1 1 333.476 0.902 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O ZINC001077676756 781485083 /nfs/dbraw/zinc/48/50/83/781485083.db2.gz ILDQWZWDXSQIMU-BHIYHBOVSA-N 1 1 341.455 0.684 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC001041451042 781543487 /nfs/dbraw/zinc/54/34/87/781543487.db2.gz FWDJSVVEFNZHTQ-CRAIPNDOSA-N 1 1 332.448 0.725 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC001041451565 781544787 /nfs/dbraw/zinc/54/47/87/781544787.db2.gz NERPZINXTFSCPI-MAUKXSAKSA-N 1 1 332.448 0.725 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041452091 781545917 /nfs/dbraw/zinc/54/59/17/781545917.db2.gz SADBRHWIGUQFRW-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNc3ncccc3C#N)C2)C1 ZINC001041505016 781651900 /nfs/dbraw/zinc/65/19/00/781651900.db2.gz IFJISROKAVOSHN-JKSUJKDBSA-N 1 1 343.431 0.934 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3nc(C)n(-c4nc[nH]n4)n3)C2)C1 ZINC001041522106 781690655 /nfs/dbraw/zinc/69/06/55/781690655.db2.gz CYUKFABNGJPVJI-MRXNPFEDSA-N 1 1 342.407 0.418 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001077787228 781692539 /nfs/dbraw/zinc/69/25/39/781692539.db2.gz QJXYFODMIYHMMW-HZPDHXFCSA-N 1 1 333.432 0.855 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001077850829 781817316 /nfs/dbraw/zinc/81/73/16/781817316.db2.gz MNYDJKACPNDCFR-HUUCEWRRSA-N 1 1 327.388 0.823 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041612783 781853115 /nfs/dbraw/zinc/85/31/15/781853115.db2.gz CHSWGXQXUQXJBL-QGZVFWFLSA-N 1 1 330.363 0.607 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041612783 781853123 /nfs/dbraw/zinc/85/31/23/781853123.db2.gz CHSWGXQXUQXJBL-QGZVFWFLSA-N 1 1 330.363 0.607 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001077907015 781915642 /nfs/dbraw/zinc/91/56/42/781915642.db2.gz UFLVQPODZQMUKW-ZIAGYGMSSA-N 1 1 330.413 0.936 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(c2nccnc2C#N)CCCO1 ZINC001039907736 783254790 /nfs/dbraw/zinc/25/47/90/783254790.db2.gz IFYSIEATYSYFMR-ZFWWWQNUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCCO1 ZINC001039908371 783259154 /nfs/dbraw/zinc/25/91/54/783259154.db2.gz XVSNPGBJKMYXQQ-HUUCEWRRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCCO1 ZINC001039908372 783259610 /nfs/dbraw/zinc/25/96/10/783259610.db2.gz XVSNPGBJKMYXQQ-LSDHHAIUSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(c3ccnc(C#N)n3)CCCO2)C1 ZINC001039914879 783273784 /nfs/dbraw/zinc/27/37/84/783273784.db2.gz CRJKTBFMMRRVQA-ZIAGYGMSSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(c3nccnc3C#N)CCCO2)C1 ZINC001039914990 783274156 /nfs/dbraw/zinc/27/41/56/783274156.db2.gz GXDVLLFNMRPDQX-UONOGXRCSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001040730137 783342140 /nfs/dbraw/zinc/34/21/40/783342140.db2.gz WUKWBFZIUWGSLI-QGZVFWFLSA-N 1 1 325.453 0.764 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 ZINC001040767216 783395470 /nfs/dbraw/zinc/39/54/70/783395470.db2.gz WUPZMAHOZNEUBC-CXAGYDPISA-N 1 1 347.419 0.246 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001040823728 783510802 /nfs/dbraw/zinc/51/08/02/783510802.db2.gz ZLVAIXGGGWQLCJ-OFQRWUPVSA-N 1 1 340.431 0.870 20 30 ECEDMO C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001040095666 783530186 /nfs/dbraw/zinc/53/01/86/783530186.db2.gz IVXHLNZXXGAVMT-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001040096596 783532865 /nfs/dbraw/zinc/53/28/65/783532865.db2.gz QJJAUFKBMBJPES-QFBILLFUSA-N 1 1 347.459 0.354 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001040105856 783559330 /nfs/dbraw/zinc/55/93/30/783559330.db2.gz AQPOIZGPMYECFS-APWZRJJASA-N 1 1 347.459 0.354 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2coc(C)n2)C[C@@H]1n1ccnn1 ZINC001070180935 783606661 /nfs/dbraw/zinc/60/66/61/783606661.db2.gz NHIBBDVZVLXNDF-YPMHNXCESA-N 1 1 336.783 0.982 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001070185254 783615794 /nfs/dbraw/zinc/61/57/94/783615794.db2.gz LXLCUJLXWVQECN-OLZOCXBDSA-N 1 1 349.826 0.728 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCOCC1 ZINC001070232020 783706447 /nfs/dbraw/zinc/70/64/47/783706447.db2.gz AINQURFGFNLGDV-ZIAGYGMSSA-N 1 1 336.436 0.412 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1n1ccnn1 ZINC001070247503 783736519 /nfs/dbraw/zinc/73/65/19/783736519.db2.gz YUJMLAKGWMISRV-OLZOCXBDSA-N 1 1 335.799 0.717 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@@H]1n1ccnn1 ZINC001070250100 783739574 /nfs/dbraw/zinc/73/95/74/783739574.db2.gz FUUFUOBOHUMGLO-CVEARBPZSA-N 1 1 337.387 0.996 20 30 ECEDMO C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCCN2C)CC1 ZINC001070367044 783901658 /nfs/dbraw/zinc/90/16/58/783901658.db2.gz AWLDWLFRNFRPDE-NUJGCVRESA-N 1 1 346.475 0.189 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C(N)=O)cc2)c1 ZINC001038154881 783923768 /nfs/dbraw/zinc/92/37/68/783923768.db2.gz UGRFZMGMEMQEMX-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C(N)=O)cc2)c1 ZINC001038154881 783923775 /nfs/dbraw/zinc/92/37/75/783923775.db2.gz UGRFZMGMEMQEMX-OAHLLOKOSA-N 1 1 337.383 0.990 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001070387537 783935417 /nfs/dbraw/zinc/93/54/17/783935417.db2.gz VVTDLIHUXYZJLD-GJZGRUSLSA-N 1 1 342.399 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001070387537 783935425 /nfs/dbraw/zinc/93/54/25/783935425.db2.gz VVTDLIHUXYZJLD-GJZGRUSLSA-N 1 1 342.399 0.063 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ncccn2)C1 ZINC001070387391 783935612 /nfs/dbraw/zinc/93/56/12/783935612.db2.gz MTKRQTKKIIUXPD-HNNXBMFYSA-N 1 1 337.383 0.888 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2ncccn2)C1 ZINC001070387391 783935620 /nfs/dbraw/zinc/93/56/20/783935620.db2.gz MTKRQTKKIIUXPD-HNNXBMFYSA-N 1 1 337.383 0.888 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CCCN2CCCC2=O)[nH]1 ZINC001038164028 783937785 /nfs/dbraw/zinc/93/77/85/783937785.db2.gz OMIDUIPYTFSKNM-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(CC)n2)C1 ZINC001070408385 783993308 /nfs/dbraw/zinc/99/33/08/783993308.db2.gz QEYOGMSTGXWLAP-GFCCVEGCSA-N 1 1 327.392 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 ZINC001070412821 784006757 /nfs/dbraw/zinc/00/67/57/784006757.db2.gz LAYQDIMYWSDBGP-HOCLYGCPSA-N 1 1 340.431 0.436 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 ZINC001070412821 784006761 /nfs/dbraw/zinc/00/67/61/784006761.db2.gz LAYQDIMYWSDBGP-HOCLYGCPSA-N 1 1 340.431 0.436 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCCN2C)C1 ZINC001070414281 784012936 /nfs/dbraw/zinc/01/29/36/784012936.db2.gz JBYOTTAUVNWNNG-ZBFHGGJFSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCCN2C)C1 ZINC001070414281 784012945 /nfs/dbraw/zinc/01/29/45/784012945.db2.gz JBYOTTAUVNWNNG-ZBFHGGJFSA-N 1 1 329.448 0.933 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001070414224 784013189 /nfs/dbraw/zinc/01/31/89/784013189.db2.gz ICKVBDOUWFDDKT-CHWSQXEVSA-N 1 1 331.420 0.527 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001070414514 784014206 /nfs/dbraw/zinc/01/42/06/784014206.db2.gz OLTKWJFQBOVQPH-KBPBESRZSA-N 1 1 345.447 0.918 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001070419555 784024656 /nfs/dbraw/zinc/02/46/56/784024656.db2.gz BXDUESWMXLIDGZ-HIFRSBDPSA-N 1 1 343.431 0.459 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC2=O)C1 ZINC001070419856 784025943 /nfs/dbraw/zinc/02/59/43/784025943.db2.gz KDKMNAVKZCTCOE-OCCSQVGLSA-N 1 1 331.420 0.527 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CCN(CC#N)C2)C1 ZINC001070433808 784060108 /nfs/dbraw/zinc/06/01/08/784060108.db2.gz DWGPEAKEFUIZKM-HIFRSBDPSA-N 1 1 346.435 0.059 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CCN(CC#N)C2)C1 ZINC001070433808 784060120 /nfs/dbraw/zinc/06/01/20/784060120.db2.gz DWGPEAKEFUIZKM-HIFRSBDPSA-N 1 1 346.435 0.059 20 30 ECEDMO C#CCN1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442573 784085129 /nfs/dbraw/zinc/08/51/29/784085129.db2.gz JTLLYBUTQKLFCX-HUUCEWRRSA-N 1 1 342.447 0.068 20 30 ECEDMO C=CCN1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)C[C@H]2c1nnc(C)[nH]1 ZINC001070451235 784113417 /nfs/dbraw/zinc/11/34/17/784113417.db2.gz WCOKRNWOLVFILJ-GJZGRUSLSA-N 1 1 344.463 0.479 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070453759 784118693 /nfs/dbraw/zinc/11/86/93/784118693.db2.gz ZAGRGZZLEBPALD-UONOGXRCSA-N 1 1 338.477 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2(COC)CC2)C1 ZINC001070921705 784118795 /nfs/dbraw/zinc/11/87/95/784118795.db2.gz JXWLJRDDQHEECP-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C2(COC)CC2)C1 ZINC001070921705 784118800 /nfs/dbraw/zinc/11/88/00/784118800.db2.gz JXWLJRDDQHEECP-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001070921741 784120287 /nfs/dbraw/zinc/12/02/87/784120287.db2.gz LMCWHWORHXYQME-BBWFWOEESA-N 1 1 345.443 0.230 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001070921741 784120296 /nfs/dbraw/zinc/12/02/96/784120296.db2.gz LMCWHWORHXYQME-BBWFWOEESA-N 1 1 345.443 0.230 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070454697 784121813 /nfs/dbraw/zinc/12/18/13/784121813.db2.gz MRFBMIQEDPBYAW-CYBMUJFWSA-N 1 1 335.433 0.556 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cn(C)cn1 ZINC001070491373 784184066 /nfs/dbraw/zinc/18/40/66/784184066.db2.gz HWRMAGVVJQJSCR-WCQYABFASA-N 1 1 349.826 0.499 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001070952904 784209895 /nfs/dbraw/zinc/20/98/95/784209895.db2.gz OPYYEQKTZQJECS-UHFFFAOYSA-N 1 1 327.375 0.706 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001070952904 784209899 /nfs/dbraw/zinc/20/98/99/784209899.db2.gz OPYYEQKTZQJECS-UHFFFAOYSA-N 1 1 327.375 0.706 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CC3CC3)CC2)[nH]1 ZINC001070956706 784223293 /nfs/dbraw/zinc/22/32/93/784223293.db2.gz YYMDJIFQUJXKOL-UHFFFAOYSA-N 1 1 329.404 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)C2=CCOCC2)CC1 ZINC001070957694 784225260 /nfs/dbraw/zinc/22/52/60/784225260.db2.gz QYJLMBBMZDWWDO-UHFFFAOYSA-N 1 1 335.448 0.950 20 30 ECEDMO CC#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001070968255 784260555 /nfs/dbraw/zinc/26/05/55/784260555.db2.gz WHOLUXWBIXBGKD-QGZVFWFLSA-N 1 1 348.491 0.535 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC001070969589 784265949 /nfs/dbraw/zinc/26/59/49/784265949.db2.gz XYYRZKXJKBCDJF-UHFFFAOYSA-N 1 1 345.447 0.670 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC001070969589 784265953 /nfs/dbraw/zinc/26/59/53/784265953.db2.gz XYYRZKXJKBCDJF-UHFFFAOYSA-N 1 1 345.447 0.670 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001070970656 784270892 /nfs/dbraw/zinc/27/08/92/784270892.db2.gz PXNUBSLUXDICTR-HNNXBMFYSA-N 1 1 345.447 0.597 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001070970685 784271505 /nfs/dbraw/zinc/27/15/05/784271505.db2.gz RXLHKXFKYSVQFZ-UHFFFAOYSA-N 1 1 336.480 0.697 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1 ZINC001070564178 784280697 /nfs/dbraw/zinc/28/06/97/784280697.db2.gz YSPZHTVBDXZDMC-DZGCQCFKSA-N 1 1 327.392 0.033 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC001070972916 784281505 /nfs/dbraw/zinc/28/15/05/784281505.db2.gz SMOYOYJGFRDTIE-UHFFFAOYSA-N 1 1 333.392 0.022 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(OC)nc2)CC1 ZINC001070979014 784301595 /nfs/dbraw/zinc/30/15/95/784301595.db2.gz OHKINCPZULURRE-UHFFFAOYSA-N 1 1 346.431 0.930 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(OC)nc2)CC1 ZINC001070979014 784301602 /nfs/dbraw/zinc/30/16/02/784301602.db2.gz OHKINCPZULURRE-UHFFFAOYSA-N 1 1 346.431 0.930 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001070991516 784341937 /nfs/dbraw/zinc/34/19/37/784341937.db2.gz WFCKJJDQCTVCER-KRWDZBQOSA-N 1 1 348.491 0.392 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070585597 784362940 /nfs/dbraw/zinc/36/29/40/784362940.db2.gz GUTCCPSOGVJSIJ-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070585597 784362946 /nfs/dbraw/zinc/36/29/46/784362946.db2.gz GUTCCPSOGVJSIJ-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(=O)NCC[N@@H+](CC3CC3)CC2)nn1 ZINC001071007028 784390506 /nfs/dbraw/zinc/39/05/06/784390506.db2.gz DLRKYDRUIZYXFF-UHFFFAOYSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC(=O)NCC[N@H+](CC3CC3)CC2)nn1 ZINC001071007028 784390515 /nfs/dbraw/zinc/39/05/15/784390515.db2.gz DLRKYDRUIZYXFF-UHFFFAOYSA-N 1 1 346.435 0.138 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2cnoc2)n1 ZINC001070597962 784409499 /nfs/dbraw/zinc/40/94/99/784409499.db2.gz FNIKOLUAORFRPL-GJZGRUSLSA-N 1 1 343.387 0.775 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC001071014292 784416271 /nfs/dbraw/zinc/41/62/71/784416271.db2.gz HMNSRLGVOGPWQX-QAPCUYQASA-N 1 1 335.448 0.640 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCOC2)n1 ZINC001070601155 784417086 /nfs/dbraw/zinc/41/70/86/784417086.db2.gz DLDCEKZNRIEYPB-QLFBSQMISA-N 1 1 332.404 0.581 20 30 ECEDMO C#CCC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCOC2)n1 ZINC001070601334 784417818 /nfs/dbraw/zinc/41/78/18/784417818.db2.gz HNSMQXWVQICXCK-OWCLPIDISA-N 1 1 346.431 0.971 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cncn2C)CC1 ZINC001071015368 784420251 /nfs/dbraw/zinc/42/02/51/784420251.db2.gz AKBZUIRZQZGOIH-UHFFFAOYSA-N 1 1 333.436 0.189 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071015485 784421357 /nfs/dbraw/zinc/42/13/57/784421357.db2.gz GXMDIWRNENLFDF-INIZCTEOSA-N 1 1 336.480 0.555 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071015485 784421361 /nfs/dbraw/zinc/42/13/61/784421361.db2.gz GXMDIWRNENLFDF-INIZCTEOSA-N 1 1 336.480 0.555 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cc(C)n[nH]1)C[C@H](C)O2 ZINC001071153887 784616131 /nfs/dbraw/zinc/61/61/31/784616131.db2.gz BLJMSOVFNRURAZ-YJBOKZPZSA-N 1 1 330.432 0.976 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCOCC1)C[C@H](C)O2 ZINC001071156900 784621382 /nfs/dbraw/zinc/62/13/82/784621382.db2.gz OENCEJUXSQQCRE-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnnn1CC)C[C@@H](C)O2 ZINC001071159302 784626364 /nfs/dbraw/zinc/62/63/64/784626364.db2.gz KEYZZWYKDLAEEI-RHSMWYFYSA-N 1 1 331.420 0.627 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CN=NC1=O)C[C@@H](C)O2 ZINC001071159939 784627216 /nfs/dbraw/zinc/62/72/16/784627216.db2.gz UMPHSLUYDZTZTR-CZUORRHYSA-N 1 1 335.408 0.252 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@@H](C)O2 ZINC001071159884 784627735 /nfs/dbraw/zinc/62/77/35/784627735.db2.gz SSRXWAFNUKZMCU-RDTXWAMCSA-N 1 1 335.448 0.733 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@@H+](CCn3cncn3)C2)O1 ZINC001071167320 784643803 /nfs/dbraw/zinc/64/38/03/784643803.db2.gz WPPQFTFVVFCXLR-MAUKXSAKSA-N 1 1 343.431 0.383 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@@H](C)O2 ZINC001071169073 784647657 /nfs/dbraw/zinc/64/76/57/784647657.db2.gz LRVVHXPGQHMSBH-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1C)C[C@@H](C)O2 ZINC001071173636 784658734 /nfs/dbraw/zinc/65/87/34/784658734.db2.gz LEINFSBVMIOPEN-KDOFPFPSSA-N 1 1 330.432 0.596 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nnn1CC)C[C@H](C)O2 ZINC001071175570 784663659 /nfs/dbraw/zinc/66/36/59/784663659.db2.gz GXDNJEHWTDYZSU-KBXCAEBGSA-N 1 1 345.447 0.935 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnn1CCOC)C[C@@H](C)O2 ZINC001071181658 784679846 /nfs/dbraw/zinc/67/98/46/784679846.db2.gz ZFWXQKAFJQKXJJ-QAPCUYQASA-N 1 1 346.431 0.468 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@@H](C)O2 ZINC001071181441 784680036 /nfs/dbraw/zinc/68/00/36/784680036.db2.gz XSAXZQBGKSLXMA-DNVCBOLYSA-N 1 1 343.427 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCNC1=O)C[C@H](C)O2 ZINC001071182931 784682653 /nfs/dbraw/zinc/68/26/53/784682653.db2.gz GMZYSESILHKYQJ-YOEHRIQHSA-N 1 1 336.436 0.280 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1CC)C[C@@H](C)O2 ZINC001071183559 784684243 /nfs/dbraw/zinc/68/42/43/784684243.db2.gz PZSQWOAKFSTPDI-RDTXWAMCSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@@H](C)O2 ZINC001071185459 784688544 /nfs/dbraw/zinc/68/85/44/784688544.db2.gz HDHAOHHJBGKADO-CRAIPNDOSA-N 1 1 333.432 0.324 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@H](C)O2 ZINC001071189447 784694065 /nfs/dbraw/zinc/69/40/65/784694065.db2.gz LEKQKAVCXOQPLP-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc(OC)n1)C[C@@H](C)O2 ZINC001071189850 784695270 /nfs/dbraw/zinc/69/52/70/784695270.db2.gz QDCZPKYRGXQTCP-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@@H](C)O2 ZINC001071192947 784706289 /nfs/dbraw/zinc/70/62/89/784706289.db2.gz UREJIFOJVSGDSD-FZKQIMNGSA-N 1 1 347.415 0.875 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@@H](C)O2 ZINC001071192947 784706295 /nfs/dbraw/zinc/70/62/95/784706295.db2.gz UREJIFOJVSGDSD-FZKQIMNGSA-N 1 1 347.415 0.875 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@H](C)O2 ZINC001071204628 784730885 /nfs/dbraw/zinc/73/08/85/784730885.db2.gz PVGUIUCSTUFMLS-WMLDXEAASA-N 1 1 332.404 0.124 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@H](C)O2 ZINC001071209463 784741425 /nfs/dbraw/zinc/74/14/25/784741425.db2.gz KNTLIPCCXICEBV-YJBOKZPZSA-N 1 1 345.447 0.463 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@@H](C)O2 ZINC001071209206 784741486 /nfs/dbraw/zinc/74/14/86/784741486.db2.gz GTURCYKBVJSLSU-QAPCUYQASA-N 1 1 345.447 0.463 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@@H](C)O2 ZINC001071211915 784748197 /nfs/dbraw/zinc/74/81/97/784748197.db2.gz PYAIMJIJJONFBQ-ACJLOTCBSA-N 1 1 346.431 0.995 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)C[C@@H](C)O2 ZINC001071223627 784776798 /nfs/dbraw/zinc/77/67/98/784776798.db2.gz RHGHFYLISYTPPY-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)C[C@@H](C)O2 ZINC001071223627 784776805 /nfs/dbraw/zinc/77/68/05/784776805.db2.gz RHGHFYLISYTPPY-KDOFPFPSSA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)C[C@H](C)O2 ZINC001071225794 784783394 /nfs/dbraw/zinc/78/33/94/784783394.db2.gz PTFNGVRJAOSSJV-YVEFUNNKSA-N 1 1 330.388 0.052 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@@H](C)O2 ZINC001071233520 784798248 /nfs/dbraw/zinc/79/82/48/784798248.db2.gz KDVJCQALLLHYAE-CXAGYDPISA-N 1 1 334.420 0.920 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1C(=O)CCC1=O)C[C@H](C)O2 ZINC001071238010 784806948 /nfs/dbraw/zinc/80/69/48/784806948.db2.gz HESPUQVXELDYRD-KSSFIOAISA-N 1 1 349.431 0.403 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CCN(C(C)=O)CC1)C[C@H](C)O2 ZINC001071238295 784807652 /nfs/dbraw/zinc/80/76/52/784807652.db2.gz LJNGBAPZKQVMOJ-KXBFYZLASA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)C[C@@H](C)O2 ZINC001071238061 784807696 /nfs/dbraw/zinc/80/76/96/784807696.db2.gz IKRHZZQOGNLTSW-NVXWUHKLSA-N 1 1 333.436 0.936 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nccnc1C(N)=O)C[C@H](C)O2 ZINC001071238939 784809203 /nfs/dbraw/zinc/80/92/03/784809203.db2.gz UEMKFRPFJKCTHG-YVEFUNNKSA-N 1 1 345.403 0.067 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)C[C@@H](C)O2 ZINC001071241078 784815554 /nfs/dbraw/zinc/81/55/54/784815554.db2.gz OQKXFIMSGBXJGD-FZKQIMNGSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)C[C@H](C)O2 ZINC001071241080 784815696 /nfs/dbraw/zinc/81/56/96/784815696.db2.gz OQKXFIMSGBXJGD-UGSOOPFHSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cn(C)nn1)C[C@H](C)O2 ZINC001071248892 784833680 /nfs/dbraw/zinc/83/36/80/784833680.db2.gz VGDAIOSQQNUHRB-WMLDXEAASA-N 1 1 333.436 0.626 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccnn3C)C2)C(=O)C1 ZINC001071257392 784859831 /nfs/dbraw/zinc/85/98/31/784859831.db2.gz YIYUKQSNGMIWOE-HNNXBMFYSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccnn3C)C2)C(=O)C1 ZINC001071257392 784859840 /nfs/dbraw/zinc/85/98/40/784859840.db2.gz YIYUKQSNGMIWOE-HNNXBMFYSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258268 784861960 /nfs/dbraw/zinc/86/19/60/784861960.db2.gz BTBGVWOFDFIGJB-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277113 784923015 /nfs/dbraw/zinc/92/30/15/784923015.db2.gz LDCGGKQAWBBOLE-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001071322686 784951510 /nfs/dbraw/zinc/95/15/10/784951510.db2.gz LLNYWNCZINIEKL-PBHICJAKSA-N 1 1 325.453 0.763 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCn3cncn3)C2)c1 ZINC001071813943 785145185 /nfs/dbraw/zinc/14/51/85/785145185.db2.gz FZAIGTPEMWKLMI-RHSMWYFYSA-N 1 1 338.415 0.937 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC001071862790 785236153 /nfs/dbraw/zinc/23/61/53/785236153.db2.gz ZXAPAUNLKNFDOJ-ZFWWWQNUSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC001071862790 785236158 /nfs/dbraw/zinc/23/61/58/785236158.db2.gz ZXAPAUNLKNFDOJ-ZFWWWQNUSA-N 1 1 326.462 0.804 20 30 ECEDMO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071874132 785251682 /nfs/dbraw/zinc/25/16/82/785251682.db2.gz GERUFAMUKCBPNS-LRDDRELGSA-N 1 1 343.431 0.947 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001071875304 785253485 /nfs/dbraw/zinc/25/34/85/785253485.db2.gz UCHNUEPTKNCHHB-IUODEOHRSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071548505 785284161 /nfs/dbraw/zinc/28/41/61/785284161.db2.gz HCTUEVDWESCIER-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1COC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001068764100 791097704 /nfs/dbraw/zinc/09/77/04/791097704.db2.gz JJZCLEBKRWOHSL-LSDHHAIUSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CC[N@@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@H]1C ZINC001071968763 785438566 /nfs/dbraw/zinc/43/85/66/785438566.db2.gz WVTYXVYQJCQVHC-ZIAGYGMSSA-N 1 1 333.436 0.536 20 30 ECEDMO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001071658269 785463729 /nfs/dbraw/zinc/46/37/29/785463729.db2.gz MNKVETFXJPEOEI-OCCSQVGLSA-N 1 1 338.477 0.691 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[C@@H]1C ZINC001071659740 785467480 /nfs/dbraw/zinc/46/74/80/785467480.db2.gz KPZFDYPWELAZNN-KBPBESRZSA-N 1 1 334.420 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)N3CCC3)C2)nc1 ZINC001071999041 785502867 /nfs/dbraw/zinc/50/28/67/785502867.db2.gz MEIROCFNBLLRAZ-HOCLYGCPSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)N3CCC3)C2)nc1 ZINC001071999041 785502871 /nfs/dbraw/zinc/50/28/71/785502871.db2.gz MEIROCFNBLLRAZ-HOCLYGCPSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCn3cncn3)C2)nc1 ZINC001072003401 785511273 /nfs/dbraw/zinc/51/12/73/785511273.db2.gz ULEQNFMCYGJDKT-HOCLYGCPSA-N 1 1 338.415 0.937 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@H]1C ZINC001071685667 785519652 /nfs/dbraw/zinc/51/96/52/785519652.db2.gz GBQACNLMLLSYAU-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001072048212 785571775 /nfs/dbraw/zinc/57/17/75/785571775.db2.gz JGCSNRVNCNDQTD-GDBMZVCRSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001072093222 785656520 /nfs/dbraw/zinc/65/65/20/785656520.db2.gz DERKALHPTLHRQM-ZBFHGGJFSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001072135494 785725444 /nfs/dbraw/zinc/72/54/44/785725444.db2.gz JYHOXNDGWKHPLO-ZFWWWQNUSA-N 1 1 332.404 0.195 20 30 ECEDMO C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072239947 785874946 /nfs/dbraw/zinc/87/49/46/785874946.db2.gz ZNTMDHWKDCJIQM-WCQYABFASA-N 1 1 342.407 0.298 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cccc(C(N)=O)c1)C2 ZINC001072552050 786355947 /nfs/dbraw/zinc/35/59/47/786355947.db2.gz MHHVPDBWYXKFQM-CYBMUJFWSA-N 1 1 326.400 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)C3CCC3)C2)C1=O ZINC001073507809 786440776 /nfs/dbraw/zinc/44/07/76/786440776.db2.gz GELZGEQHMVAVTJ-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)C3CCC3)C2)C1=O ZINC001073507809 786440780 /nfs/dbraw/zinc/44/07/80/786440780.db2.gz GELZGEQHMVAVTJ-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO N#CCN1CCO[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001074296721 786621089 /nfs/dbraw/zinc/62/10/89/786621089.db2.gz IGUOYEYAGFZAPF-DLBZAZTESA-N 1 1 343.431 0.587 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574467 786652825 /nfs/dbraw/zinc/65/28/25/786652825.db2.gz SUGWCFANTDSFQN-OCCSQVGLSA-N 1 1 347.419 0.184 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574467 786652831 /nfs/dbraw/zinc/65/28/31/786652831.db2.gz SUGWCFANTDSFQN-OCCSQVGLSA-N 1 1 347.419 0.184 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001073617613 786778605 /nfs/dbraw/zinc/77/86/05/786778605.db2.gz IQQIVKAPTXEISR-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001073617613 786778614 /nfs/dbraw/zinc/77/86/14/786778614.db2.gz IQQIVKAPTXEISR-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074369653 786779563 /nfs/dbraw/zinc/77/95/63/786779563.db2.gz ZVGYANSVRBQVJV-LSDHHAIUSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074369653 786779574 /nfs/dbraw/zinc/77/95/74/786779574.db2.gz ZVGYANSVRBQVJV-LSDHHAIUSA-N 1 1 332.404 0.605 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3n[nH]nc32)C1 ZINC001073618226 786781479 /nfs/dbraw/zinc/78/14/79/786781479.db2.gz XUWSWNHPESKIEK-ZDUSSCGKSA-N 1 1 327.388 0.802 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c(CC)c(CC)n[nH]c2=O)C1 ZINC001073627402 786805852 /nfs/dbraw/zinc/80/58/52/786805852.db2.gz RJGVCMFTJZEGKH-ZDUSSCGKSA-N 1 1 346.431 0.761 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(CC)c(CC)n[nH]c2=O)C1 ZINC001073627402 786805856 /nfs/dbraw/zinc/80/58/56/786805856.db2.gz RJGVCMFTJZEGKH-ZDUSSCGKSA-N 1 1 346.431 0.761 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001073629918 786811741 /nfs/dbraw/zinc/81/17/41/786811741.db2.gz IWRIDWSBYLOXML-LBPRGKRZSA-N 1 1 330.392 0.750 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001073634395 786830270 /nfs/dbraw/zinc/83/02/70/786830270.db2.gz QTVPKAOTZXVONW-HOCLYGCPSA-N 1 1 330.432 0.975 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001074403179 786870223 /nfs/dbraw/zinc/87/02/23/786870223.db2.gz RPFWSOAXDBNTKC-CABCVRRESA-N 1 1 349.431 0.403 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001074403179 786870235 /nfs/dbraw/zinc/87/02/35/786870235.db2.gz RPFWSOAXDBNTKC-CABCVRRESA-N 1 1 349.431 0.403 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnn2CC(F)(F)F)C1 ZINC001073649274 786870270 /nfs/dbraw/zinc/87/02/70/786870270.db2.gz QXZLRJNPZBSKRZ-LBPRGKRZSA-N 1 1 344.337 0.899 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnn2CC(F)(F)F)C1 ZINC001073649274 786870276 /nfs/dbraw/zinc/87/02/76/786870276.db2.gz QXZLRJNPZBSKRZ-LBPRGKRZSA-N 1 1 344.337 0.899 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001073651733 786873610 /nfs/dbraw/zinc/87/36/10/786873610.db2.gz FAYJNYFUQCMFOI-AWEZNQCLSA-N 1 1 342.403 0.277 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001073651733 786873614 /nfs/dbraw/zinc/87/36/14/786873614.db2.gz FAYJNYFUQCMFOI-AWEZNQCLSA-N 1 1 342.403 0.277 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001073652018 786875029 /nfs/dbraw/zinc/87/50/29/786875029.db2.gz MSVPJBNJGAMXHR-CQSZACIVSA-N 1 1 342.403 0.277 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3ccccn3c2=O)C1 ZINC001073660809 786903920 /nfs/dbraw/zinc/90/39/20/786903920.db2.gz PATZAEGSMCNRHB-CQSZACIVSA-N 1 1 342.399 0.701 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001073664620 786913301 /nfs/dbraw/zinc/91/33/01/786913301.db2.gz KHHCYTFGTXLAIM-IRXDYDNUSA-N 1 1 339.480 0.880 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]21 ZINC001074417792 786919886 /nfs/dbraw/zinc/91/98/86/786919886.db2.gz UTGQHBHGZHIPJA-HOTGVXAUSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]21 ZINC001074417792 786919892 /nfs/dbraw/zinc/91/98/92/786919892.db2.gz UTGQHBHGZHIPJA-HOTGVXAUSA-N 1 1 344.415 0.672 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nc2COC)C1 ZINC001073668144 786921162 /nfs/dbraw/zinc/92/11/62/786921162.db2.gz XJZFKGJSNIFIBX-AWEZNQCLSA-N 1 1 336.436 0.963 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001073673047 786935574 /nfs/dbraw/zinc/93/55/74/786935574.db2.gz TVPPDZALCYWADA-HNNXBMFYSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001073673047 786935580 /nfs/dbraw/zinc/93/55/80/786935580.db2.gz TVPPDZALCYWADA-HNNXBMFYSA-N 1 1 339.399 0.926 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001073677459 786947277 /nfs/dbraw/zinc/94/72/77/786947277.db2.gz HPELPAUYVPOLBN-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001073677459 786947279 /nfs/dbraw/zinc/94/72/79/786947279.db2.gz HPELPAUYVPOLBN-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001073683981 786963438 /nfs/dbraw/zinc/96/34/38/786963438.db2.gz FKLVSENVZXPWQS-IRXDYDNUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001073746005 787111417 /nfs/dbraw/zinc/11/14/17/787111417.db2.gz MLYDHZRJMWKUGQ-LSDHHAIUSA-N 1 1 345.447 0.150 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)CC1 ZINC001073755506 787134876 /nfs/dbraw/zinc/13/48/76/787134876.db2.gz AVBRYHTXBJBUOT-HZPDHXFCSA-N 1 1 335.448 0.828 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)CC1 ZINC001073755506 787134881 /nfs/dbraw/zinc/13/48/81/787134881.db2.gz AVBRYHTXBJBUOT-HZPDHXFCSA-N 1 1 335.448 0.828 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001073762769 787152253 /nfs/dbraw/zinc/15/22/53/787152253.db2.gz MLPCUMKGXCRFJA-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001073762769 787152257 /nfs/dbraw/zinc/15/22/57/787152257.db2.gz MLPCUMKGXCRFJA-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)COC)CCCO2)c1 ZINC001073762913 787152482 /nfs/dbraw/zinc/15/24/82/787152482.db2.gz PXBFGIYBPYIXNE-RHSMWYFYSA-N 1 1 331.416 0.919 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 ZINC001073837620 787316817 /nfs/dbraw/zinc/31/68/17/787316817.db2.gz RAFQODZTADGENX-OAHLLOKOSA-N 1 1 331.420 0.532 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 ZINC001073837620 787316826 /nfs/dbraw/zinc/31/68/26/787316826.db2.gz RAFQODZTADGENX-OAHLLOKOSA-N 1 1 331.420 0.532 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074582072 787322025 /nfs/dbraw/zinc/32/20/25/787322025.db2.gz GKYPAFLZZCROCY-UHFFFAOYSA-N 1 1 335.448 0.210 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074581979 787322174 /nfs/dbraw/zinc/32/21/74/787322174.db2.gz BKEPJWJBTKEJLF-GOEBONIOSA-N 1 1 347.459 0.067 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074582354 787324142 /nfs/dbraw/zinc/32/41/42/787324142.db2.gz QDOMTGAYDZNDGN-UHFFFAOYSA-N 1 1 344.415 0.075 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074582488 787324429 /nfs/dbraw/zinc/32/44/29/787324429.db2.gz UWLAAWFCXFYZKI-INIZCTEOSA-N 1 1 347.459 0.354 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001074593181 787347243 /nfs/dbraw/zinc/34/72/43/787347243.db2.gz JXGKXUJAIZDUPR-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001074593482 787350645 /nfs/dbraw/zinc/35/06/45/787350645.db2.gz UGYYUOXKBMRKNY-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)c2C(F)F)C1 ZINC001073850370 787358176 /nfs/dbraw/zinc/35/81/76/787358176.db2.gz ATAVFEQAEJIXKW-NSHDSACASA-N 1 1 326.347 0.812 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)c2C(F)F)C1 ZINC001073850370 787358185 /nfs/dbraw/zinc/35/81/85/787358185.db2.gz ATAVFEQAEJIXKW-NSHDSACASA-N 1 1 326.347 0.812 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001073856242 787372630 /nfs/dbraw/zinc/37/26/30/787372630.db2.gz AIKJAZXPXJSTSF-AWEZNQCLSA-N 1 1 342.403 0.277 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c(OC)cc[nH]c2=O)C1 ZINC001073862346 787389460 /nfs/dbraw/zinc/38/94/60/787389460.db2.gz QQQNBGIDSCWVSW-CYBMUJFWSA-N 1 1 333.388 0.640 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)OC)CCCO2)cn1 ZINC001073865643 787400693 /nfs/dbraw/zinc/40/06/93/787400693.db2.gz LEMNTHMVBUVMGX-RHSMWYFYSA-N 1 1 331.416 0.919 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccccc2-n2cnnn2)C1 ZINC001073883401 787430288 /nfs/dbraw/zinc/43/02/88/787430288.db2.gz LWWWBLPSEAJJRA-CQSZACIVSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccccc2-n2cnnn2)C1 ZINC001073883401 787430292 /nfs/dbraw/zinc/43/02/92/787430292.db2.gz LWWWBLPSEAJJRA-CQSZACIVSA-N 1 1 340.387 0.116 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001073893143 787456513 /nfs/dbraw/zinc/45/65/13/787456513.db2.gz LDIOMRVWLIVDQR-OAHLLOKOSA-N 1 1 332.404 0.577 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001073896236 787465253 /nfs/dbraw/zinc/46/52/53/787465253.db2.gz NTTVGEYFOSTCCA-CABCVRRESA-N 1 1 344.477 0.737 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001073901917 787482819 /nfs/dbraw/zinc/48/28/19/787482819.db2.gz KASQAVOLMXYDMO-CQSZACIVSA-N 1 1 342.399 0.733 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001073901917 787482824 /nfs/dbraw/zinc/48/28/24/787482824.db2.gz KASQAVOLMXYDMO-CQSZACIVSA-N 1 1 342.399 0.733 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)cs2)C1 ZINC001073901926 787482940 /nfs/dbraw/zinc/48/29/40/787482940.db2.gz KJOCEBFKPYXBMX-CYBMUJFWSA-N 1 1 335.429 0.691 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)cs2)C1 ZINC001073901926 787482946 /nfs/dbraw/zinc/48/29/46/787482946.db2.gz KJOCEBFKPYXBMX-CYBMUJFWSA-N 1 1 335.429 0.691 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001073911565 787509439 /nfs/dbraw/zinc/50/94/39/787509439.db2.gz UZQKYRNPLXJKET-GJZGRUSLSA-N 1 1 338.452 0.703 20 30 ECEDMO C=CCOCC(=O)NCC1(O)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001074656491 787520961 /nfs/dbraw/zinc/52/09/61/787520961.db2.gz NTABHQQTPJQOJU-UHFFFAOYSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCCCN2C(=O)c2cn[nH]n2)C1=O ZINC001074031837 787726349 /nfs/dbraw/zinc/72/63/49/787726349.db2.gz SZAFYSQQQQDOQO-UKRRQHHQSA-N 1 1 346.435 0.518 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001074094442 787872120 /nfs/dbraw/zinc/87/21/20/787872120.db2.gz YMFCITFBCJMSLQ-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO N#CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCOC3)cc2)CC1 ZINC001074111347 787900279 /nfs/dbraw/zinc/90/02/79/787900279.db2.gz MRTWUQMEZKXQLE-GOSISDBHSA-N 1 1 342.443 0.980 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nccnc3N)C[C@@H]21 ZINC001074194197 788022454 /nfs/dbraw/zinc/02/24/54/788022454.db2.gz GUZVUJOCTHBALZ-UONOGXRCSA-N 1 1 331.420 0.940 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nccnc3N)C[C@@H]21 ZINC001074194197 788022461 /nfs/dbraw/zinc/02/24/61/788022461.db2.gz GUZVUJOCTHBALZ-UONOGXRCSA-N 1 1 331.420 0.940 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)CSCC#N)C[C@H]1C ZINC001074844174 788421926 /nfs/dbraw/zinc/42/19/26/788421926.db2.gz WWXHSESLSKJJSD-TZMCWYRMSA-N 1 1 349.460 0.944 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4COC(=O)N4)C3)C2)c1 ZINC001072686200 788589597 /nfs/dbraw/zinc/58/95/97/788589597.db2.gz FRGUBPLSEYCWNU-OAHLLOKOSA-N 1 1 340.383 0.701 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001074990316 788677208 /nfs/dbraw/zinc/67/72/08/788677208.db2.gz DVVSNQIZLSCZFK-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO O=C(Cn1nccn1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001072782849 788787546 /nfs/dbraw/zinc/78/75/46/788787546.db2.gz FWJRLTNFABLAFD-UHFFFAOYSA-N 1 1 335.411 0.864 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001072874752 789006061 /nfs/dbraw/zinc/00/60/61/789006061.db2.gz FCTNPGWNXUHTPE-UHFFFAOYSA-N 1 1 334.464 0.261 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)CCc3c(C)nc[nH]c3=O)C2)C1 ZINC001072893938 789051508 /nfs/dbraw/zinc/05/15/08/789051508.db2.gz PBKIZWMXUNCOBR-UHFFFAOYSA-N 1 1 328.416 0.981 20 30 ECEDMO C#CCCCC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001072922626 789120764 /nfs/dbraw/zinc/12/07/64/789120764.db2.gz UOSYFTSOZBLJSB-OAHLLOKOSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCCCC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001072922626 789120771 /nfs/dbraw/zinc/12/07/71/789120771.db2.gz UOSYFTSOZBLJSB-OAHLLOKOSA-N 1 1 335.448 0.618 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075253566 789123350 /nfs/dbraw/zinc/12/33/50/789123350.db2.gz CQSAUGMXBLNBRI-DGCLKSJQSA-N 1 1 342.407 0.298 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001072983834 789220619 /nfs/dbraw/zinc/22/06/19/789220619.db2.gz IFYJQUFGYXZCDI-RDTXWAMCSA-N 1 1 337.464 0.905 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001072994748 789245093 /nfs/dbraw/zinc/24/50/93/789245093.db2.gz QDSDKGYNKNWLHN-PMPSAXMXSA-N 1 1 347.459 0.733 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC2(C)CCN(C(=O)C#CC(C)C)CC2)C1 ZINC001073011412 789270713 /nfs/dbraw/zinc/27/07/13/789270713.db2.gz FCHLPJKUCOWASU-INIZCTEOSA-N 1 1 349.475 0.864 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC2(C)CCN(C(=O)C#CC(C)C)CC2)C1 ZINC001073011412 789270722 /nfs/dbraw/zinc/27/07/22/789270722.db2.gz FCHLPJKUCOWASU-INIZCTEOSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C2)C1 ZINC001073041312 789329611 /nfs/dbraw/zinc/32/96/11/789329611.db2.gz KIXAWWPDXLLOKS-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C2)C1 ZINC001073041031 789329733 /nfs/dbraw/zinc/32/97/33/789329733.db2.gz CFINOFSBONBCQD-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CC[N@H+](Cc2cnn(C)c2)C3)nn1 ZINC001073043371 789334846 /nfs/dbraw/zinc/33/48/46/789334846.db2.gz VCVHHJMZYILUIY-UHFFFAOYSA-N 1 1 341.419 0.546 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(=O)NC)C3)nn1 ZINC001073048811 789345319 /nfs/dbraw/zinc/34/53/19/789345319.db2.gz KAKIKDSKYDCEPR-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@]4(C)CCOC4)C3)C2)C1=O ZINC001073084268 789411516 /nfs/dbraw/zinc/41/15/16/789411516.db2.gz YWKSBFPKUMZHOU-MAUKXSAKSA-N 1 1 347.459 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(=O)NC)C3)cn1 ZINC001073135906 789508207 /nfs/dbraw/zinc/50/82/07/789508207.db2.gz PEILQMINOSBKGC-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccon4)[C@@H]3C2)C1=O ZINC001075585054 789532227 /nfs/dbraw/zinc/53/22/27/789532227.db2.gz ODTSQDGVLCUECE-NWANDNLSSA-N 1 1 330.388 0.608 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)cc1 ZINC001075632948 789597452 /nfs/dbraw/zinc/59/74/52/789597452.db2.gz WEMWTPHUYSCMBU-GOEBONIOSA-N 1 1 342.399 0.497 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)c1 ZINC001075632653 789597770 /nfs/dbraw/zinc/59/77/70/789597770.db2.gz FTOYKTRWGHFVAJ-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)c1 ZINC001075632653 789597776 /nfs/dbraw/zinc/59/77/76/789597776.db2.gz FTOYKTRWGHFVAJ-SWLSCSKDSA-N 1 1 330.363 0.605 20 30 ECEDMO CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC001075658581 789624274 /nfs/dbraw/zinc/62/42/74/789624274.db2.gz JBPJFCDQSKQWTB-AEGPPILISA-N 1 1 327.388 0.263 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001073393883 789785719 /nfs/dbraw/zinc/78/57/19/789785719.db2.gz QSDAGBSKMOHJLI-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001073408378 789796762 /nfs/dbraw/zinc/79/67/62/789796762.db2.gz PMMZKMHWTPHKPA-UHFFFAOYSA-N 1 1 336.399 0.884 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001073408378 789796765 /nfs/dbraw/zinc/79/67/65/789796765.db2.gz PMMZKMHWTPHKPA-UHFFFAOYSA-N 1 1 336.399 0.884 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C2)C1 ZINC001073452848 789860612 /nfs/dbraw/zinc/86/06/12/789860612.db2.gz VMLSKZOVFZZNPJ-OAHLLOKOSA-N 1 1 327.432 0.707 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001069494954 789862557 /nfs/dbraw/zinc/86/25/57/789862557.db2.gz IDPMIXLPCDNUGC-UONOGXRCSA-N 1 1 339.403 0.672 20 30 ECEDMO C=CC[N@@H+]1CCC2(CN(C(=O)COc3cccc(C(N)=O)c3)C2)C1 ZINC001073455943 789863451 /nfs/dbraw/zinc/86/34/51/789863451.db2.gz RUKQRJOJJZYNOQ-UHFFFAOYSA-N 1 1 329.400 0.885 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC001073486158 789891443 /nfs/dbraw/zinc/89/14/43/789891443.db2.gz SWIYJYBOMVOKRI-LBPRGKRZSA-N 1 1 326.828 0.816 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC001073486158 789891451 /nfs/dbraw/zinc/89/14/51/789891451.db2.gz SWIYJYBOMVOKRI-LBPRGKRZSA-N 1 1 326.828 0.816 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](Nc3ccncc3C#N)C(C)(C)C2)C1 ZINC001069572233 789908049 /nfs/dbraw/zinc/90/80/49/789908049.db2.gz PQDPTTRTYGGWCW-CZUORRHYSA-N 1 1 327.432 0.976 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)c2C1 ZINC001069864365 790119995 /nfs/dbraw/zinc/11/99/95/790119995.db2.gz LZXUQSVNWXSQTQ-JKSUJKDBSA-N 1 1 342.447 0.855 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)C1 ZINC001069871189 790132676 /nfs/dbraw/zinc/13/26/76/790132676.db2.gz QJCAKWZVNWTCSB-HNNXBMFYSA-N 1 1 344.463 0.960 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](n2ccnn2)C1 ZINC001069892277 790161227 /nfs/dbraw/zinc/16/12/27/790161227.db2.gz QHZFLGVMTPBJDW-CVEARBPZSA-N 1 1 342.403 0.533 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069895566 790164078 /nfs/dbraw/zinc/16/40/78/790164078.db2.gz AVCUBUCJPZPTSR-CABCVRRESA-N 1 1 329.408 0.551 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069898519 790166776 /nfs/dbraw/zinc/16/67/76/790166776.db2.gz PDYOPHHEHORFSX-CABCVRRESA-N 1 1 329.408 0.795 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069898519 790166778 /nfs/dbraw/zinc/16/67/78/790166778.db2.gz PDYOPHHEHORFSX-CABCVRRESA-N 1 1 329.408 0.795 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069900380 790168691 /nfs/dbraw/zinc/16/86/91/790168691.db2.gz CBSWPSVKVUPGEV-CABCVRRESA-N 1 1 329.408 0.551 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069900380 790168694 /nfs/dbraw/zinc/16/86/94/790168694.db2.gz CBSWPSVKVUPGEV-CABCVRRESA-N 1 1 329.408 0.551 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cncc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001069969376 790257468 /nfs/dbraw/zinc/25/74/68/790257468.db2.gz RIBTYDQRMLHLFB-CVEARBPZSA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cncc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001069969376 790257471 /nfs/dbraw/zinc/25/74/71/790257471.db2.gz RIBTYDQRMLHLFB-CVEARBPZSA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ncnc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001069969395 790257813 /nfs/dbraw/zinc/25/78/13/790257813.db2.gz SQKNUMOYRJNQMB-OLZOCXBDSA-N 1 1 338.375 0.342 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ncnc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001069969395 790257818 /nfs/dbraw/zinc/25/78/18/790257818.db2.gz SQKNUMOYRJNQMB-OLZOCXBDSA-N 1 1 338.375 0.342 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068837274 791231321 /nfs/dbraw/zinc/23/13/21/791231321.db2.gz WSEMOCQWEMAXML-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001068858514 791277902 /nfs/dbraw/zinc/27/79/02/791277902.db2.gz FZBHMNFTYHDDRI-JKSUJKDBSA-N 1 1 347.459 0.474 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001068859762 791282175 /nfs/dbraw/zinc/28/21/75/791282175.db2.gz VMMGTENNNFXDNC-OAHLLOKOSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001068859812 791283280 /nfs/dbraw/zinc/28/32/80/791283280.db2.gz WHDPKEHOBZTMED-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001068873294 791316909 /nfs/dbraw/zinc/31/69/09/791316909.db2.gz BQGVYKBLWYAMNM-LSDHHAIUSA-N 1 1 333.432 0.084 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068940238 791468195 /nfs/dbraw/zinc/46/81/95/791468195.db2.gz LMZQLBUJPGWOKY-HNNXBMFYSA-N 1 1 333.432 0.228 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)CO2 ZINC001069038901 791632910 /nfs/dbraw/zinc/63/29/10/791632910.db2.gz AVHKJOCALAMBJJ-JKSUJKDBSA-N 1 1 347.459 0.616 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2cncc(C#N)n2)C[C@@H]1C ZINC001069174700 791758869 /nfs/dbraw/zinc/75/88/69/791758869.db2.gz CCMUQNKNDVMFME-AAEUAGOBSA-N 1 1 325.376 0.955 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)CC1 ZINC001066730350 792055722 /nfs/dbraw/zinc/05/57/22/792055722.db2.gz WSFYMOPYFOTTLN-KGLIPLIRSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066736635 792070895 /nfs/dbraw/zinc/07/08/95/792070895.db2.gz RINUXRXYMCPICU-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066736635 792070899 /nfs/dbraw/zinc/07/08/99/792070899.db2.gz RINUXRXYMCPICU-JKSUJKDBSA-N 1 1 343.431 0.759 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1cncc(C#N)n1 ZINC001067742963 792213244 /nfs/dbraw/zinc/21/32/44/792213244.db2.gz RZNRIZZPCUSYSA-LSDHHAIUSA-N 1 1 328.420 0.870 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CSCC#N ZINC001066871914 792243694 /nfs/dbraw/zinc/24/36/94/792243694.db2.gz RBGQUXLNIGZORD-UHFFFAOYSA-N 1 1 328.482 0.892 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(Nc3ncccc3C#N)C2)C1 ZINC001066905818 792338353 /nfs/dbraw/zinc/33/83/53/792338353.db2.gz BFBMWZDJSSOTOZ-YJBOKZPZSA-N 1 1 343.431 0.670 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(Nc3ccnc(C#N)n3)C2)C1 ZINC001066906011 792340160 /nfs/dbraw/zinc/34/01/60/792340160.db2.gz IGLFODXZUWBCFP-CXAGYDPISA-N 1 1 344.419 0.065 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CCCOC ZINC001066929453 792411498 /nfs/dbraw/zinc/41/14/98/792411498.db2.gz DRCVRQAAQJEDLY-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CCCOC ZINC001066929453 792411506 /nfs/dbraw/zinc/41/15/06/792411506.db2.gz DRCVRQAAQJEDLY-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(CNc3ccc(C#N)cn3)C2)O1 ZINC001067899524 792446581 /nfs/dbraw/zinc/44/65/81/792446581.db2.gz YIXLESPSZCMXCT-TWRYWWQQSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(CNc3ccc(C#N)cn3)C2)O1 ZINC001067899524 792446584 /nfs/dbraw/zinc/44/65/84/792446584.db2.gz YIXLESPSZCMXCT-TWRYWWQQSA-N 1 1 343.431 0.979 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H](C)C#N)C1 ZINC001068006690 792567211 /nfs/dbraw/zinc/56/72/11/792567211.db2.gz XWOPGDVELVJAIF-CABCVRRESA-N 1 1 338.452 0.562 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H](C)C#N)C1 ZINC001068006692 792567401 /nfs/dbraw/zinc/56/74/01/792567401.db2.gz XWOPGDVELVJAIF-HUUCEWRRSA-N 1 1 338.452 0.562 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)CC2(C)C)C1 ZINC001068102008 792672013 /nfs/dbraw/zinc/67/20/13/792672013.db2.gz FHTQYHMINQXNNN-HUUCEWRRSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)CC2(C)C)C1 ZINC001068102008 792672023 /nfs/dbraw/zinc/67/20/23/792672023.db2.gz FHTQYHMINQXNNN-HUUCEWRRSA-N 1 1 343.431 0.615 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001067081408 792678571 /nfs/dbraw/zinc/67/85/71/792678571.db2.gz NLOCCVBFOVEKDT-GJZGRUSLSA-N 1 1 341.452 0.215 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001067081408 792678574 /nfs/dbraw/zinc/67/85/74/792678574.db2.gz NLOCCVBFOVEKDT-GJZGRUSLSA-N 1 1 341.452 0.215 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001068158818 792759124 /nfs/dbraw/zinc/75/91/24/792759124.db2.gz XCHPLEALYOSJAS-PNBKFKSVSA-N 1 1 325.416 0.846 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001068208969 792831102 /nfs/dbraw/zinc/83/11/02/792831102.db2.gz SKPUFWGEPWBYEL-APIJFGDWSA-N 1 1 340.431 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001068209284 792831513 /nfs/dbraw/zinc/83/15/13/792831513.db2.gz WLBFXHLKDYQZET-FJIDUMEYSA-N 1 1 349.438 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001068209284 792831522 /nfs/dbraw/zinc/83/15/22/792831522.db2.gz WLBFXHLKDYQZET-FJIDUMEYSA-N 1 1 349.438 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@](C)(O)C=C ZINC001067292950 792946886 /nfs/dbraw/zinc/94/68/86/792946886.db2.gz CYEUNVVIGKQZQE-QFBILLFUSA-N 1 1 349.475 0.718 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@](C)(O)C=C ZINC001067292950 792946894 /nfs/dbraw/zinc/94/68/94/792946894.db2.gz CYEUNVVIGKQZQE-QFBILLFUSA-N 1 1 349.475 0.718 20 30 ECEDMO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001068348632 793097891 /nfs/dbraw/zinc/09/78/91/793097891.db2.gz VZAAXJWSKLKGAL-HUUCEWRRSA-N 1 1 335.448 0.590 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1C ZINC001067400391 793100383 /nfs/dbraw/zinc/10/03/83/793100383.db2.gz CLBQZXUVBFQWNU-GXTWGEPZSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1C ZINC001067401364 793100954 /nfs/dbraw/zinc/10/09/54/793100954.db2.gz MWNNRNRJNADQBR-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1C ZINC001067421585 793129951 /nfs/dbraw/zinc/12/99/51/793129951.db2.gz XPNIGWSPPNEBLA-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001067427438 793141020 /nfs/dbraw/zinc/14/10/20/793141020.db2.gz IXJQKPCNNVFLBQ-UHFFFAOYSA-N 1 1 325.453 0.673 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068390055 793186719 /nfs/dbraw/zinc/18/67/19/793186719.db2.gz WUWGIQSWKHRNDF-OAHLLOKOSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CCC)[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001267458985 837445944 /nfs/dbraw/zinc/44/59/44/837445944.db2.gz FVNMUCXUKJTWMU-WMLDXEAASA-N 1 1 325.453 0.763 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001267458985 837445951 /nfs/dbraw/zinc/44/59/51/837445951.db2.gz FVNMUCXUKJTWMU-WMLDXEAASA-N 1 1 325.453 0.763 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)COC2CCCC2)C1 ZINC001267509701 837599504 /nfs/dbraw/zinc/59/95/04/837599504.db2.gz UTYHRZTXRSZBDC-HNNXBMFYSA-N 1 1 335.448 0.523 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@H](CNC(=O)c1n[nH]cc1F)c1ccccc1 ZINC001267522787 837677016 /nfs/dbraw/zinc/67/70/16/837677016.db2.gz LQQXOEFQXUKJLK-CYBMUJFWSA-N 1 1 344.350 0.249 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(CC=C)C1=O ZINC001267530629 837703851 /nfs/dbraw/zinc/70/38/51/837703851.db2.gz VRSVIAIBJPNLQO-NCOADZHNSA-N 1 1 345.443 0.487 20 30 ECEDMO CCCN(C(=O)[C@@H]1CCN(C)C1=O)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267546481 837739736 /nfs/dbraw/zinc/73/97/36/837739736.db2.gz PJJFHEHHXFVQAE-JKSUJKDBSA-N 1 1 335.448 0.427 20 30 ECEDMO CCCN(C(=O)[C@@H]1CCN(C)C1=O)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267546481 837739744 /nfs/dbraw/zinc/73/97/44/837739744.db2.gz PJJFHEHHXFVQAE-JKSUJKDBSA-N 1 1 335.448 0.427 20 30 ECEDMO CC(C)SCC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267552190 837754948 /nfs/dbraw/zinc/75/49/48/837754948.db2.gz VWFIBAOORNGMLB-CYBMUJFWSA-N 1 1 326.466 0.596 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001267559875 837769784 /nfs/dbraw/zinc/76/97/84/837769784.db2.gz FMUFGVJQLOWRTQ-ZDUSSCGKSA-N 1 1 345.447 0.642 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)C2(COC)CCC2)C1 ZINC001267560701 837770928 /nfs/dbraw/zinc/77/09/28/837770928.db2.gz LOYOKWGELJABHI-JKSUJKDBSA-N 1 1 349.475 0.769 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001267560807 837771503 /nfs/dbraw/zinc/77/15/03/837771503.db2.gz NCUKHFAXSKAXOT-AWEZNQCLSA-N 1 1 334.420 0.518 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCC[C@H]2CCN(CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001267560562 837771734 /nfs/dbraw/zinc/77/17/34/837771734.db2.gz AYZYPBBKKRRJCM-JYJNAYRXSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCC[C@H]2CCN(CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001267560562 837771744 /nfs/dbraw/zinc/77/17/44/837771744.db2.gz AYZYPBBKKRRJCM-JYJNAYRXSA-N 1 1 349.479 0.185 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@@H]2CC[N@H+](CC(=O)NCC)C2)c1 ZINC001267564763 837780048 /nfs/dbraw/zinc/78/00/48/837780048.db2.gz DZWSOUGMYRZFHT-OAHLLOKOSA-N 1 1 328.416 0.641 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cn2nccc2C)C1 ZINC001267567156 837786171 /nfs/dbraw/zinc/78/61/71/837786171.db2.gz LTHJVFUZHHMXGE-OAHLLOKOSA-N 1 1 333.436 0.322 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@@H]2CC[N@H+](CC(=O)NCC=C)C2)cn1 ZINC001267568591 837791477 /nfs/dbraw/zinc/79/14/77/837791477.db2.gz YHZDZODHGKSJHN-OAHLLOKOSA-N 1 1 340.427 0.807 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ocnc2CC)C1 ZINC001267569884 837799164 /nfs/dbraw/zinc/79/91/64/837799164.db2.gz DTROALGEWHHEGI-UONOGXRCSA-N 1 1 346.431 0.817 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)c2cn3cccnc3n2)CC1 ZINC001267573603 837814724 /nfs/dbraw/zinc/81/47/24/837814724.db2.gz VSMIABXVHUFGJV-UHFFFAOYSA-N 1 1 340.431 0.442 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C2(C(F)(F)F)CC2)C1 ZINC001267575672 837828776 /nfs/dbraw/zinc/82/87/76/837828776.db2.gz JNGGCVOPCSJIEO-LBPRGKRZSA-N 1 1 345.365 0.907 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001266249233 835555277 /nfs/dbraw/zinc/55/52/77/835555277.db2.gz WLMMEVVTSNTZFX-KGLIPLIRSA-N 1 1 333.436 0.532 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001266249233 835555284 /nfs/dbraw/zinc/55/52/84/835555284.db2.gz WLMMEVVTSNTZFX-KGLIPLIRSA-N 1 1 333.436 0.532 20 30 ECEDMO CCn1ncnc1CN1CC[NH+](CCCNC(=O)[C@@H](C)C#N)CC1 ZINC001266259515 835569104 /nfs/dbraw/zinc/56/91/04/835569104.db2.gz GPWRPLQRCQCIAP-AWEZNQCLSA-N 1 1 333.440 0.082 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)c2cnn(C3CCC3)c2)CC1 ZINC001266262510 835573500 /nfs/dbraw/zinc/57/35/00/835573500.db2.gz LBUVSUCLAOVGPI-UHFFFAOYSA-N 1 1 330.436 0.869 20 30 ECEDMO COC[C@H](C)N1CC[NH+](CCCNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001266263145 835574820 /nfs/dbraw/zinc/57/48/20/835574820.db2.gz WAEDFDVOISRWMO-AWEZNQCLSA-N 1 1 333.436 0.659 20 30 ECEDMO C=C(C)CN1CC[NH+](CCCNC(=O)[C@]2(CC)CCNC2=O)CC1 ZINC001266265204 835579720 /nfs/dbraw/zinc/57/97/20/835579720.db2.gz ZFWGAMCXDWORFG-SFHVURJKSA-N 1 1 336.480 0.603 20 30 ECEDMO C#CCCN1CC[NH+](CCCNC(=O)CCc2ccnc(C)n2)CC1 ZINC001266269815 835590221 /nfs/dbraw/zinc/59/02/21/835590221.db2.gz PXLKOLAOQZKYPL-UHFFFAOYSA-N 1 1 343.475 0.865 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)C[C@H]1CCCS(=O)(=O)C1 ZINC001266271627 835593436 /nfs/dbraw/zinc/59/34/36/835593436.db2.gz LSEBAKPPSDNWGD-UKRRQHHQSA-N 1 1 332.466 0.186 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)C[C@H]1CCCS(=O)(=O)C1 ZINC001266271627 835593440 /nfs/dbraw/zinc/59/34/40/835593440.db2.gz LSEBAKPPSDNWGD-UKRRQHHQSA-N 1 1 332.466 0.186 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccn(CC(C)C)n1 ZINC001266278661 835605175 /nfs/dbraw/zinc/60/51/75/835605175.db2.gz NGHXIYUZACXILJ-CQSZACIVSA-N 1 1 333.436 0.339 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccn(CC(C)C)n1 ZINC001266278661 835605180 /nfs/dbraw/zinc/60/51/80/835605180.db2.gz NGHXIYUZACXILJ-CQSZACIVSA-N 1 1 333.436 0.339 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CCN(C/C=C\Cl)CC1 ZINC001266285887 835621763 /nfs/dbraw/zinc/62/17/63/835621763.db2.gz QOMWCZRNMITMPU-LEXSJLIMSA-N 1 1 338.883 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CCN(C/C=C\Cl)CC1 ZINC001266285887 835621766 /nfs/dbraw/zinc/62/17/66/835621766.db2.gz QOMWCZRNMITMPU-LEXSJLIMSA-N 1 1 338.883 0.570 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)[C@@H](C)NC(=O)c2ccccc2)CC1 ZINC001266297234 835646346 /nfs/dbraw/zinc/64/63/46/835646346.db2.gz MRDJXAIUPZGDCX-MRXNPFEDSA-N 1 1 342.443 0.172 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1cc(Cl)cn1 ZINC001266329991 835710899 /nfs/dbraw/zinc/71/08/99/835710899.db2.gz PNQQYUAIZQTYSF-LLVKDONJSA-N 1 1 327.816 0.275 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1cc(Cl)cn1 ZINC001266329991 835710901 /nfs/dbraw/zinc/71/09/01/835710901.db2.gz PNQQYUAIZQTYSF-LLVKDONJSA-N 1 1 327.816 0.275 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001266330151 835711951 /nfs/dbraw/zinc/71/19/51/835711951.db2.gz BPDBOLHCNHYGSO-CQSZACIVSA-N 1 1 332.404 0.456 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001266330151 835711958 /nfs/dbraw/zinc/71/19/58/835711958.db2.gz BPDBOLHCNHYGSO-CQSZACIVSA-N 1 1 332.404 0.456 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001266335296 835718099 /nfs/dbraw/zinc/71/80/99/835718099.db2.gz QCXVBGLHDMGTMG-HNONPPJISA-N 1 1 339.439 0.758 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001266335296 835718102 /nfs/dbraw/zinc/71/81/02/835718102.db2.gz QCXVBGLHDMGTMG-HNONPPJISA-N 1 1 339.439 0.758 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCCF)C1 ZINC001266335977 835719122 /nfs/dbraw/zinc/71/91/22/835719122.db2.gz HWQPAOKVSDJONJ-NEPJUHHUSA-N 1 1 328.388 0.327 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCCF)C1 ZINC001266335977 835719127 /nfs/dbraw/zinc/71/91/27/835719127.db2.gz HWQPAOKVSDJONJ-NEPJUHHUSA-N 1 1 328.388 0.327 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(OC)c(C)c1 ZINC001266337896 835721929 /nfs/dbraw/zinc/72/19/29/835721929.db2.gz SLBHVHPWAVLDHZ-AWEZNQCLSA-N 1 1 331.416 0.803 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc(OC)c(C)c1 ZINC001266337896 835721935 /nfs/dbraw/zinc/72/19/35/835721935.db2.gz SLBHVHPWAVLDHZ-AWEZNQCLSA-N 1 1 331.416 0.803 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001266344812 835733932 /nfs/dbraw/zinc/73/39/32/835733932.db2.gz MFLYFDXPCWWURU-KDOFPFPSSA-N 1 1 339.439 0.730 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001266344812 835733933 /nfs/dbraw/zinc/73/39/33/835733933.db2.gz MFLYFDXPCWWURU-KDOFPFPSSA-N 1 1 339.439 0.730 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)Oc1ccccc1 ZINC001266354796 835758034 /nfs/dbraw/zinc/75/80/34/835758034.db2.gz NRVDTXVWYXRGJH-GJZGRUSLSA-N 1 1 331.416 0.640 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)Oc1ccccc1 ZINC001266354796 835758039 /nfs/dbraw/zinc/75/80/39/835758039.db2.gz NRVDTXVWYXRGJH-GJZGRUSLSA-N 1 1 331.416 0.640 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCCN(C)CCn2nc(C)nc2C)CC1 ZINC001266362393 835774054 /nfs/dbraw/zinc/77/40/54/835774054.db2.gz GVTCUMKYSLAKJQ-UHFFFAOYSA-N 1 1 346.479 0.288 20 30 ECEDMO Cc1nnccc1C(=O)N[C@@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001266373656 835786301 /nfs/dbraw/zinc/78/63/01/835786301.db2.gz ISKUDHWNBXZNHB-CQSZACIVSA-N 1 1 342.403 0.009 20 30 ECEDMO C#CCNC(=O)CN1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001266374090 835787555 /nfs/dbraw/zinc/78/75/55/835787555.db2.gz RMZGNFRHIDXCBK-WBVHZDCISA-N 1 1 348.491 0.293 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(Cl)[nH]2)CC1 ZINC001266377044 835788260 /nfs/dbraw/zinc/78/82/60/835788260.db2.gz NQPPZEFECAJTSX-LBPRGKRZSA-N 1 1 349.822 0.892 20 30 ECEDMO C#CCNC(=O)CN1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001266379337 835790579 /nfs/dbraw/zinc/79/05/79/835790579.db2.gz FRGOQWOCRYDCNP-HOTGVXAUSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCNC(=O)CN1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001266379337 835790591 /nfs/dbraw/zinc/79/05/91/835790591.db2.gz FRGOQWOCRYDCNP-HOTGVXAUSA-N 1 1 346.475 0.048 20 30 ECEDMO COc1ccc(C(=O)N[C@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)o1 ZINC001266380709 835791463 /nfs/dbraw/zinc/79/14/63/835791463.db2.gz UWMUGESOPKXJMW-ZDUSSCGKSA-N 1 1 346.387 0.512 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001266382738 835793943 /nfs/dbraw/zinc/79/39/43/835793943.db2.gz BYHPWWXQSZEXMV-NHAGDIPZSA-N 1 1 336.436 0.482 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001266382738 835793948 /nfs/dbraw/zinc/79/39/48/835793948.db2.gz BYHPWWXQSZEXMV-NHAGDIPZSA-N 1 1 336.436 0.482 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cc(C)nc(C)c1 ZINC001266392122 835799535 /nfs/dbraw/zinc/79/95/35/835799535.db2.gz CXHVLWXBVBONLM-OAHLLOKOSA-N 1 1 330.432 0.888 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cc(C)nc(C)c1 ZINC001266392122 835799545 /nfs/dbraw/zinc/79/95/45/835799545.db2.gz CXHVLWXBVBONLM-OAHLLOKOSA-N 1 1 330.432 0.888 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1ccnc2[nH]cnc21 ZINC001266392856 835800219 /nfs/dbraw/zinc/80/02/19/835800219.db2.gz QDOPTWDCBGDVGV-LBPRGKRZSA-N 1 1 342.403 0.148 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1ccnc2[nH]cnc21 ZINC001266392856 835800231 /nfs/dbraw/zinc/80/02/31/835800231.db2.gz QDOPTWDCBGDVGV-LBPRGKRZSA-N 1 1 342.403 0.148 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1c(F)cncc1F ZINC001266393217 835801610 /nfs/dbraw/zinc/80/16/10/835801610.db2.gz ZFXJNQFMEVSCOD-NSHDSACASA-N 1 1 338.358 0.549 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1c(F)cncc1F ZINC001266393217 835801617 /nfs/dbraw/zinc/80/16/17/835801617.db2.gz ZFXJNQFMEVSCOD-NSHDSACASA-N 1 1 338.358 0.549 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cnc2n1CCCCC2 ZINC001266396110 835804430 /nfs/dbraw/zinc/80/44/30/835804430.db2.gz ATIYJXZJUZMBLI-UHFFFAOYSA-N 1 1 345.447 0.411 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cnc2n1CCCCC2 ZINC001266396110 835804438 /nfs/dbraw/zinc/80/44/38/835804438.db2.gz ATIYJXZJUZMBLI-UHFFFAOYSA-N 1 1 345.447 0.411 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1c(C)cc(=O)oc1C ZINC001266400840 835808246 /nfs/dbraw/zinc/80/82/46/835808246.db2.gz UQCCSADVHNJRTJ-ZDUSSCGKSA-N 1 1 347.415 0.446 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1c(C)cc(=O)oc1C ZINC001266400840 835808254 /nfs/dbraw/zinc/80/82/54/835808254.db2.gz UQCCSADVHNJRTJ-ZDUSSCGKSA-N 1 1 347.415 0.446 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001266422409 835826941 /nfs/dbraw/zinc/82/69/41/835826941.db2.gz AELRDVRNNNVDGB-PMPSAXMXSA-N 1 1 335.448 0.544 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001266422409 835826949 /nfs/dbraw/zinc/82/69/49/835826949.db2.gz AELRDVRNNNVDGB-PMPSAXMXSA-N 1 1 335.448 0.544 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCN(C2CCC2)C1=O ZINC001266453597 835856406 /nfs/dbraw/zinc/85/64/06/835856406.db2.gz IOGIZPFAASMMCX-HZPDHXFCSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCN(C2CCC2)C1=O ZINC001266453597 835856411 /nfs/dbraw/zinc/85/64/11/835856411.db2.gz IOGIZPFAASMMCX-HZPDHXFCSA-N 1 1 335.448 0.923 20 30 ECEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001266469398 835871299 /nfs/dbraw/zinc/87/12/99/835871299.db2.gz KULKGKJHZRIBRT-HNNXBMFYSA-N 1 1 347.463 0.738 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001266472484 835876146 /nfs/dbraw/zinc/87/61/46/835876146.db2.gz KNLWHMWWEBFUNH-HNNXBMFYSA-N 1 1 348.447 0.767 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001266471963 835876596 /nfs/dbraw/zinc/87/65/96/835876596.db2.gz ZPKDGVDBQWPQQW-LSDHHAIUSA-N 1 1 330.432 0.964 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001266471963 835876601 /nfs/dbraw/zinc/87/66/01/835876601.db2.gz ZPKDGVDBQWPQQW-LSDHHAIUSA-N 1 1 330.432 0.964 20 30 ECEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2c(OC)ncnc2OC)C1 ZINC001266476365 835879172 /nfs/dbraw/zinc/87/91/72/835879172.db2.gz WYAPJGXOGKTZOT-ZDUSSCGKSA-N 1 1 332.404 0.911 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1csc(C)n1 ZINC001266485580 835885374 /nfs/dbraw/zinc/88/53/74/835885374.db2.gz FHBGKDZMNWJFAQ-OAHLLOKOSA-N 1 1 348.472 0.714 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1csc(C)n1 ZINC001266485580 835885380 /nfs/dbraw/zinc/88/53/80/835885380.db2.gz FHBGKDZMNWJFAQ-OAHLLOKOSA-N 1 1 348.472 0.714 20 30 ECEDMO C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ncn1 ZINC001266486678 835886313 /nfs/dbraw/zinc/88/63/13/835886313.db2.gz RNFOYGIAUTVTRM-OKILXGFUSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ncn1 ZINC001266486678 835886314 /nfs/dbraw/zinc/88/63/14/835886314.db2.gz RNFOYGIAUTVTRM-OKILXGFUSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001266492509 835892829 /nfs/dbraw/zinc/89/28/29/835892829.db2.gz QJFXZCNLPMIJMO-STQMWFEESA-N 1 1 349.410 0.200 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001266492509 835892838 /nfs/dbraw/zinc/89/28/38/835892838.db2.gz QJFXZCNLPMIJMO-STQMWFEESA-N 1 1 349.410 0.200 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(C)n[nH]c1C ZINC001266495592 835895164 /nfs/dbraw/zinc/89/51/64/835895164.db2.gz PKZQXRSUASSTQT-CABCVRRESA-N 1 1 347.463 0.840 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cc1c(C)n[nH]c1C ZINC001266495592 835895171 /nfs/dbraw/zinc/89/51/71/835895171.db2.gz PKZQXRSUASSTQT-CABCVRRESA-N 1 1 347.463 0.840 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2nncn2C1 ZINC001266495693 835895899 /nfs/dbraw/zinc/89/58/99/835895899.db2.gz RHYQNKCEJGOLSM-LSDHHAIUSA-N 1 1 331.420 0.071 20 30 ECEDMO COCC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC(C)C)C(N)=O)C[C@H]2C1 ZINC001279416582 835897181 /nfs/dbraw/zinc/89/71/81/835897181.db2.gz WHYXGNXTKLTMIV-XHSDSOJGSA-N 1 1 335.448 0.174 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](CCn2nc(C)nc2C)C1 ZINC001266511103 835918451 /nfs/dbraw/zinc/91/84/51/835918451.db2.gz JGKVJXCBEFMXNN-DOTOQJQBSA-N 1 1 335.452 0.660 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001266517579 835928761 /nfs/dbraw/zinc/92/87/61/835928761.db2.gz LKZGSAAFQUWGQA-AWEZNQCLSA-N 1 1 336.436 0.723 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001266520420 835933316 /nfs/dbraw/zinc/93/33/16/835933316.db2.gz MTQKCZOCNSIXQK-CYBMUJFWSA-N 1 1 332.408 0.057 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001266520420 835933321 /nfs/dbraw/zinc/93/33/21/835933321.db2.gz MTQKCZOCNSIXQK-CYBMUJFWSA-N 1 1 332.408 0.057 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001266520420 835933327 /nfs/dbraw/zinc/93/33/27/835933327.db2.gz MTQKCZOCNSIXQK-CYBMUJFWSA-N 1 1 332.408 0.057 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)Cc2ccc(OC)cn2)C1 ZINC001266528311 835944300 /nfs/dbraw/zinc/94/43/00/835944300.db2.gz NMBPWDCTOWIDMA-OAHLLOKOSA-N 1 1 331.416 0.721 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ocnc2C2CC2)C1 ZINC001266535465 835953896 /nfs/dbraw/zinc/95/38/96/835953896.db2.gz ZWIXPORRUDODBE-LLVKDONJSA-N 1 1 331.376 0.243 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ocnc2C2CC2)C1 ZINC001266535465 835953897 /nfs/dbraw/zinc/95/38/97/835953897.db2.gz ZWIXPORRUDODBE-LLVKDONJSA-N 1 1 331.376 0.243 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C#C)nc2)C1 ZINC001266544502 835965322 /nfs/dbraw/zinc/96/53/22/835965322.db2.gz CBKMUVITGSJKGB-LSDHHAIUSA-N 1 1 338.411 0.253 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2coc(CCC)n2)C1 ZINC001266545273 835966172 /nfs/dbraw/zinc/96/61/72/835966172.db2.gz OOVLINVANAFROX-ZDUSSCGKSA-N 1 1 334.420 0.981 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2coc(CCC)n2)C1 ZINC001266545271 835966954 /nfs/dbraw/zinc/96/69/54/835966954.db2.gz OOVLINVANAFROX-CYBMUJFWSA-N 1 1 334.420 0.981 20 30 ECEDMO Cn1nc(C(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)cc1C1CC1 ZINC001266593973 836025760 /nfs/dbraw/zinc/02/57/60/836025760.db2.gz CNRGHERCCGOVBS-UHFFFAOYSA-N 1 1 344.419 0.131 20 30 ECEDMO Cn1nc(C(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)cc1C1CC1 ZINC001266593973 836025768 /nfs/dbraw/zinc/02/57/68/836025768.db2.gz CNRGHERCCGOVBS-UHFFFAOYSA-N 1 1 344.419 0.131 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1cc(F)ccc1F)C1CC1 ZINC001266594412 836026369 /nfs/dbraw/zinc/02/63/69/836026369.db2.gz KVSKBGYOCLVDIF-UHFFFAOYSA-N 1 1 336.342 0.799 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1cc(F)ccc1F)C1CC1 ZINC001266594412 836026375 /nfs/dbraw/zinc/02/63/75/836026375.db2.gz KVSKBGYOCLVDIF-UHFFFAOYSA-N 1 1 336.342 0.799 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1ccc2nonc2c1)C1CC1 ZINC001266609205 836043688 /nfs/dbraw/zinc/04/36/88/836043688.db2.gz DOUBOMZELGQYFV-UHFFFAOYSA-N 1 1 341.371 0.166 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1ccc2nonc2c1)C1CC1 ZINC001266609205 836043697 /nfs/dbraw/zinc/04/36/97/836043697.db2.gz DOUBOMZELGQYFV-UHFFFAOYSA-N 1 1 341.371 0.166 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1cccc2[nH]cnc21)C1CC1 ZINC001266615720 836050598 /nfs/dbraw/zinc/05/05/98/836050598.db2.gz QRWONKMUVWZCTM-UHFFFAOYSA-N 1 1 339.399 0.507 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1cccc2[nH]cnc21)C1CC1 ZINC001266615720 836050603 /nfs/dbraw/zinc/05/06/03/836050603.db2.gz QRWONKMUVWZCTM-UHFFFAOYSA-N 1 1 339.399 0.507 20 30 ECEDMO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NCC#N)ncn1 ZINC001266646070 836081872 /nfs/dbraw/zinc/08/18/72/836081872.db2.gz UBBIGGDKFHIQCI-AGUYFDCRSA-N 1 1 342.403 0.150 20 30 ECEDMO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NCC#N)ncn1 ZINC001266646070 836081880 /nfs/dbraw/zinc/08/18/80/836081880.db2.gz UBBIGGDKFHIQCI-AGUYFDCRSA-N 1 1 342.403 0.150 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cocn2)C1 ZINC001266660048 836097063 /nfs/dbraw/zinc/09/70/63/836097063.db2.gz UJWWORTWARITAG-HIFRSBDPSA-N 1 1 332.404 0.903 20 30 ECEDMO C#CCCCCC(=O)N[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001279480098 836151189 /nfs/dbraw/zinc/15/11/89/836151189.db2.gz ONBQQKARCLVNHL-MAUKXSAKSA-N 1 1 337.464 0.600 20 30 ECEDMO C#CCCCCC(=O)N[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001279480098 836151192 /nfs/dbraw/zinc/15/11/92/836151192.db2.gz ONBQQKARCLVNHL-MAUKXSAKSA-N 1 1 337.464 0.600 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001266748924 836237667 /nfs/dbraw/zinc/23/76/67/836237667.db2.gz BGSXTGSLTLYTDU-GJZGRUSLSA-N 1 1 330.432 0.903 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3occc3[nH]2)C1 ZINC001266751623 836244733 /nfs/dbraw/zinc/24/47/33/836244733.db2.gz ILAVBOGQDNWBHZ-LBPRGKRZSA-N 1 1 343.387 0.842 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc3occc3[nH]2)C1 ZINC001266751623 836244741 /nfs/dbraw/zinc/24/47/41/836244741.db2.gz ILAVBOGQDNWBHZ-LBPRGKRZSA-N 1 1 343.387 0.842 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](CNC(=O)c2cnc3nccn3c2)C1 ZINC001266754671 836249658 /nfs/dbraw/zinc/24/96/58/836249658.db2.gz GCYSPJWJWOPWMR-OAHLLOKOSA-N 1 1 341.415 0.821 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001266755734 836252021 /nfs/dbraw/zinc/25/20/21/836252021.db2.gz UCYUGFBNXSTTLV-CVEARBPZSA-N 1 1 335.448 0.381 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001266766211 836271085 /nfs/dbraw/zinc/27/10/85/836271085.db2.gz FEKBNDVCTLLASL-AWEZNQCLSA-N 1 1 336.436 0.723 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001266769927 836279852 /nfs/dbraw/zinc/27/98/52/836279852.db2.gz KVXSNAAFBWPYBI-CYBMUJFWSA-N 1 1 334.424 0.171 20 30 ECEDMO Cc1nscc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266893159 836442860 /nfs/dbraw/zinc/44/28/60/836442860.db2.gz QCGHWVWZRFDFEB-WCQYABFASA-N 1 1 349.460 0.922 20 30 ECEDMO Cc1nscc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266893159 836442867 /nfs/dbraw/zinc/44/28/67/836442867.db2.gz QCGHWVWZRFDFEB-WCQYABFASA-N 1 1 349.460 0.922 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001266901097 836455355 /nfs/dbraw/zinc/45/53/55/836455355.db2.gz OUYGEQJPRGEVNX-ZSAUSMIDSA-N 1 1 343.493 0.715 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(C)(F)F ZINC001266903381 836459119 /nfs/dbraw/zinc/45/91/19/836459119.db2.gz IGYOCSZDMYAELJ-OBPIAQAESA-N 1 1 327.375 0.462 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@@H](C(C)C)C1 ZINC001266904754 836460958 /nfs/dbraw/zinc/46/09/58/836460958.db2.gz HREWQNLXADQMLQ-ZNFSNMQZSA-N 1 1 347.459 0.233 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@@H](C(C)C)C1 ZINC001266904754 836460962 /nfs/dbraw/zinc/46/09/62/836460962.db2.gz HREWQNLXADQMLQ-ZNFSNMQZSA-N 1 1 347.459 0.233 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1nc(CC(C)C)no1 ZINC001266951941 836517670 /nfs/dbraw/zinc/51/76/70/836517670.db2.gz YFDSKJUDPYLOIL-GJZGRUSLSA-N 1 1 347.463 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1nc(CC(C)C)no1 ZINC001266951941 836517676 /nfs/dbraw/zinc/51/76/76/836517676.db2.gz YFDSKJUDPYLOIL-GJZGRUSLSA-N 1 1 347.463 0.960 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001283326300 836546554 /nfs/dbraw/zinc/54/65/54/836546554.db2.gz WGZKQOMNOQUHFV-UHFFFAOYSA-N 1 1 334.464 0.000 20 30 ECEDMO CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)cn1 ZINC001267103221 836777949 /nfs/dbraw/zinc/77/79/49/836777949.db2.gz VHJCPKUUDFYVSC-CQSZACIVSA-N 1 1 332.408 0.079 20 30 ECEDMO CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)cn1 ZINC001267103221 836777957 /nfs/dbraw/zinc/77/79/57/836777957.db2.gz VHJCPKUUDFYVSC-CQSZACIVSA-N 1 1 332.408 0.079 20 30 ECEDMO CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001267103526 836778324 /nfs/dbraw/zinc/77/83/24/836778324.db2.gz AGQXFIQFXOKRDK-HNNXBMFYSA-N 1 1 333.432 0.862 20 30 ECEDMO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001267104172 836780054 /nfs/dbraw/zinc/78/00/54/836780054.db2.gz NLSUVKLDAQCLFW-HUUCEWRRSA-N 1 1 343.431 0.709 20 30 ECEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001267103571 836780239 /nfs/dbraw/zinc/78/02/39/836780239.db2.gz BDACFCAXTNCVLO-CQSZACIVSA-N 1 1 334.420 0.046 20 30 ECEDMO C[N@@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001267104563 836781516 /nfs/dbraw/zinc/78/15/16/836781516.db2.gz CKUJVFGAMOEERZ-IAGOWNOFSA-N 1 1 330.432 0.580 20 30 ECEDMO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001267107113 836789350 /nfs/dbraw/zinc/78/93/50/836789350.db2.gz APDOVOQQWVSTGX-OAHLLOKOSA-N 1 1 330.432 0.957 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)c2conc2C2CC2)C1 ZINC001267110339 836796004 /nfs/dbraw/zinc/79/60/04/836796004.db2.gz ABSCRPHTFQUBDX-ZDUSSCGKSA-N 1 1 345.403 0.728 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)c2conc2C2CC2)C1 ZINC001267110339 836796008 /nfs/dbraw/zinc/79/60/08/836796008.db2.gz ABSCRPHTFQUBDX-ZDUSSCGKSA-N 1 1 345.403 0.728 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(OC)o2)C1 ZINC001267113733 836804146 /nfs/dbraw/zinc/80/41/46/836804146.db2.gz RFJWEWDOZWGBHH-KGLIPLIRSA-N 1 1 347.415 0.963 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NC)C1 ZINC001267114128 836805702 /nfs/dbraw/zinc/80/57/02/836805702.db2.gz XLSLCEPWMQZJGX-AWEZNQCLSA-N 1 1 346.431 0.929 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NC)C1 ZINC001267114128 836805709 /nfs/dbraw/zinc/80/57/09/836805709.db2.gz XLSLCEPWMQZJGX-AWEZNQCLSA-N 1 1 346.431 0.929 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cnsn1 ZINC001267160733 836871138 /nfs/dbraw/zinc/87/11/38/836871138.db2.gz JWLWZTQDYPSKOG-GFCCVEGCSA-N 1 1 335.433 0.262 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CCOC1 ZINC001267163441 836881351 /nfs/dbraw/zinc/88/13/51/836881351.db2.gz UDUHRZMBIZYHIM-HZPDHXFCSA-N 1 1 335.448 0.523 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CCN(C)C1=O ZINC001267169185 836898301 /nfs/dbraw/zinc/89/83/01/836898301.db2.gz KXULGOCILSWBNM-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)c1csnn1 ZINC001267171600 836905502 /nfs/dbraw/zinc/90/55/02/836905502.db2.gz KSVADWQBCNBBQT-LLVKDONJSA-N 1 1 336.421 0.152 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cc(C3CC3)nn2C)C1=O ZINC001267197502 836965302 /nfs/dbraw/zinc/96/53/02/836965302.db2.gz MSWLELDERXGEIW-OAHLLOKOSA-N 1 1 345.447 0.746 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cc(C3CC3)nn2C)C1=O ZINC001267197502 836965310 /nfs/dbraw/zinc/96/53/10/836965310.db2.gz MSWLELDERXGEIW-OAHLLOKOSA-N 1 1 345.447 0.746 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1cnn2c1CCCC2 ZINC001267201120 836974741 /nfs/dbraw/zinc/97/47/41/836974741.db2.gz WHSWLGXPQAUZRI-CQSZACIVSA-N 1 1 347.463 0.501 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1cnn2c1CCCC2 ZINC001267201120 836974752 /nfs/dbraw/zinc/97/47/52/836974752.db2.gz WHSWLGXPQAUZRI-CQSZACIVSA-N 1 1 347.463 0.501 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2c(c1)ncn2C ZINC001267204773 836983033 /nfs/dbraw/zinc/98/30/33/836983033.db2.gz LMOGDDIFFGNAJD-CYBMUJFWSA-N 1 1 343.431 0.926 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)ncn2C ZINC001267204773 836983040 /nfs/dbraw/zinc/98/30/40/836983040.db2.gz LMOGDDIFFGNAJD-CYBMUJFWSA-N 1 1 343.431 0.926 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@]23CCC[C@H]2OCC3)C1=O ZINC001267206987 836988760 /nfs/dbraw/zinc/98/87/60/836988760.db2.gz XWTOJWHFVKWNLD-RKVPGOIHSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@]23CCC[C@H]2OCC3)C1=O ZINC001267206987 836988767 /nfs/dbraw/zinc/98/87/67/836988767.db2.gz XWTOJWHFVKWNLD-RKVPGOIHSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001267209924 836995424 /nfs/dbraw/zinc/99/54/24/836995424.db2.gz RSVXBQHNLAHBEH-LRDDRELGSA-N 1 1 325.409 0.068 20 30 ECEDMO C=C[C@@](C)(CCOC)C(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001267209924 836995427 /nfs/dbraw/zinc/99/54/27/836995427.db2.gz RSVXBQHNLAHBEH-LRDDRELGSA-N 1 1 325.409 0.068 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C1CCC(F)CC1 ZINC001267216472 837007691 /nfs/dbraw/zinc/00/76/91/837007691.db2.gz YJRNGRCYNQFZLG-UHFFFAOYSA-N 1 1 342.415 0.575 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C1CCC(F)CC1 ZINC001267216472 837007701 /nfs/dbraw/zinc/00/77/01/837007701.db2.gz YJRNGRCYNQFZLG-UHFFFAOYSA-N 1 1 342.415 0.575 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cc1OC ZINC001267217770 837008148 /nfs/dbraw/zinc/00/81/48/837008148.db2.gz PINPKWUZQHNVQK-LLVKDONJSA-N 1 1 336.392 0.148 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1c[nH]c(=O)cc1OC ZINC001267217770 837008159 /nfs/dbraw/zinc/00/81/59/837008159.db2.gz PINPKWUZQHNVQK-LLVKDONJSA-N 1 1 336.392 0.148 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@H+](C)C[C@H]1CCCOC1 ZINC001267220137 837011997 /nfs/dbraw/zinc/01/19/97/837011997.db2.gz JVQXBDUJZIARPC-CVEARBPZSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001267224995 837021633 /nfs/dbraw/zinc/02/16/33/837021633.db2.gz NWCRSWWQTSYTGE-LBPRGKRZSA-N 1 1 346.387 0.113 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001267224995 837021634 /nfs/dbraw/zinc/02/16/34/837021634.db2.gz NWCRSWWQTSYTGE-LBPRGKRZSA-N 1 1 346.387 0.113 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2nccnc2c1 ZINC001267229089 837027345 /nfs/dbraw/zinc/02/73/45/837027345.db2.gz HWYVEVJQKFNAMZ-CYBMUJFWSA-N 1 1 339.399 0.429 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2nccnc2c1 ZINC001267229089 837027351 /nfs/dbraw/zinc/02/73/51/837027351.db2.gz HWYVEVJQKFNAMZ-CYBMUJFWSA-N 1 1 339.399 0.429 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001267230535 837033820 /nfs/dbraw/zinc/03/38/20/837033820.db2.gz RDNMRUNPVJIDKX-LBPRGKRZSA-N 1 1 346.431 0.628 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001267230535 837033833 /nfs/dbraw/zinc/03/38/33/837033833.db2.gz RDNMRUNPVJIDKX-LBPRGKRZSA-N 1 1 346.431 0.628 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC1CC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC001267241229 837049586 /nfs/dbraw/zinc/04/95/86/837049586.db2.gz PGHWMPXKWWKXMP-HNNXBMFYSA-N 1 1 326.462 0.663 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC1CC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC001267241229 837049595 /nfs/dbraw/zinc/04/95/95/837049595.db2.gz PGHWMPXKWWKXMP-HNNXBMFYSA-N 1 1 326.462 0.663 20 30 ECEDMO C#CCNC(=O)[C@H](C)N(CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267241610 837050652 /nfs/dbraw/zinc/05/06/52/837050652.db2.gz DISIJORSUBORGW-HRCADAONSA-N 1 1 336.480 0.293 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCCNC(=O)c1ccc(C#N)[nH]1)C(C)C ZINC001267243649 837055860 /nfs/dbraw/zinc/05/58/60/837055860.db2.gz GBZOUCMJMKGDKY-UHFFFAOYSA-N 1 1 329.404 0.466 20 30 ECEDMO CC[N@H+](CCNC(=O)C1Cc2ccccc2C1)CC(=O)NCC#N ZINC001267250295 837067619 /nfs/dbraw/zinc/06/76/19/837067619.db2.gz IAPOMWZKKHWJNI-UHFFFAOYSA-N 1 1 328.416 0.479 20 30 ECEDMO CC[N@@H+](CCNC(=O)C1Cc2ccccc2C1)CC(=O)NCC#N ZINC001267250295 837067622 /nfs/dbraw/zinc/06/76/22/837067622.db2.gz IAPOMWZKKHWJNI-UHFFFAOYSA-N 1 1 328.416 0.479 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)c2cccn(C)c2=O)C1=O ZINC001267255497 837077486 /nfs/dbraw/zinc/07/74/86/837077486.db2.gz IQBLLAAEPGMWRW-OAHLLOKOSA-N 1 1 346.431 0.224 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC001267264972 837099470 /nfs/dbraw/zinc/09/94/70/837099470.db2.gz VHLVZFGQSBAXOW-ZFWWWQNUSA-N 1 1 331.420 0.235 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC001267264972 837099477 /nfs/dbraw/zinc/09/94/77/837099477.db2.gz VHLVZFGQSBAXOW-ZFWWWQNUSA-N 1 1 331.420 0.235 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001267266301 837104856 /nfs/dbraw/zinc/10/48/56/837104856.db2.gz CNQRZFZMIHWFFE-CYBMUJFWSA-N 1 1 331.420 0.326 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001267266301 837104861 /nfs/dbraw/zinc/10/48/61/837104861.db2.gz CNQRZFZMIHWFFE-CYBMUJFWSA-N 1 1 331.420 0.326 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001267268597 837104887 /nfs/dbraw/zinc/10/48/87/837104887.db2.gz BIWGWDQFVVJLST-CQSZACIVSA-N 1 1 345.447 0.716 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001267268597 837104891 /nfs/dbraw/zinc/10/48/91/837104891.db2.gz BIWGWDQFVVJLST-CQSZACIVSA-N 1 1 345.447 0.716 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001267268740 837107367 /nfs/dbraw/zinc/10/73/67/837107367.db2.gz FLAJEYZQDFNOSO-AWEZNQCLSA-N 1 1 341.415 0.812 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001267268740 837107371 /nfs/dbraw/zinc/10/73/71/837107371.db2.gz FLAJEYZQDFNOSO-AWEZNQCLSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CC(C)(C)COC ZINC001267276610 837120014 /nfs/dbraw/zinc/12/00/14/837120014.db2.gz OYEOXGRDYIZUBW-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CC(C)(C)COC ZINC001267276610 837120018 /nfs/dbraw/zinc/12/00/18/837120018.db2.gz OYEOXGRDYIZUBW-GJZGRUSLSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001267276858 837122083 /nfs/dbraw/zinc/12/20/83/837122083.db2.gz QITNLUFFDRHJLY-GDBMZVCRSA-N 1 1 345.447 0.244 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001267276858 837122092 /nfs/dbraw/zinc/12/20/92/837122092.db2.gz QITNLUFFDRHJLY-GDBMZVCRSA-N 1 1 345.447 0.244 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001267285150 837135630 /nfs/dbraw/zinc/13/56/30/837135630.db2.gz CPXHECOLQVSASP-KBPBESRZSA-N 1 1 332.404 0.062 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ncccc2C)C1 ZINC001267288638 837138384 /nfs/dbraw/zinc/13/83/84/837138384.db2.gz AEHKLUZURXIHJK-GJZGRUSLSA-N 1 1 328.416 0.580 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001267293219 837146623 /nfs/dbraw/zinc/14/66/23/837146623.db2.gz OHTPLGCNQMOZQI-CVEARBPZSA-N 1 1 349.475 0.769 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC001267293725 837147966 /nfs/dbraw/zinc/14/79/66/837147966.db2.gz XVIILROEQJODBG-CABCVRRESA-N 1 1 337.464 0.768 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cn2nc(C)cc2C)C1 ZINC001267297777 837161016 /nfs/dbraw/zinc/16/10/16/837161016.db2.gz JTEAZXDMDOEVIE-JKSUJKDBSA-N 1 1 347.463 0.629 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](CC(=O)N(C)C(C)C)C2)nn1 ZINC001267303221 837169804 /nfs/dbraw/zinc/16/98/04/837169804.db2.gz LONQBAUKOBMGRO-CQSZACIVSA-N 1 1 348.451 0.383 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001267307470 837179989 /nfs/dbraw/zinc/17/99/89/837179989.db2.gz SWUNAUJLETYCRC-CABCVRRESA-N 1 1 338.452 0.560 20 30 ECEDMO C=CC[N@H+](CCCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1)C(C)C ZINC001267308405 837182752 /nfs/dbraw/zinc/18/27/52/837182752.db2.gz XEZHNVPVQNEOMR-UHFFFAOYSA-N 1 1 332.412 0.710 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)c1ccc2nc[nH]c2n1)C1CC1 ZINC001267327553 837205810 /nfs/dbraw/zinc/20/58/10/837205810.db2.gz RIYDRDQPCZJZLV-UHFFFAOYSA-N 1 1 327.388 0.802 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC[N@@H+](CC(=O)N(C)C)C2CC2)cc1 ZINC001267333895 837216343 /nfs/dbraw/zinc/21/63/43/837216343.db2.gz PPCYAJSZDAOBBX-UHFFFAOYSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC[N@H+](CC(=O)N(C)C)C2CC2)cc1 ZINC001267333895 837216350 /nfs/dbraw/zinc/21/63/50/837216350.db2.gz PPCYAJSZDAOBBX-UHFFFAOYSA-N 1 1 343.427 0.981 20 30 ECEDMO CCC(=O)N1CC[C@@H](C(=O)NCC[N@@H+](CC#CCOC)C2CC2)C1 ZINC001267336555 837219755 /nfs/dbraw/zinc/21/97/55/837219755.db2.gz RHWSVASIRUXCLH-OAHLLOKOSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cn(CC)cn1)C1CC1 ZINC001267336642 837220741 /nfs/dbraw/zinc/22/07/41/837220741.db2.gz UXJMPYJPENPDEJ-CYBMUJFWSA-N 1 1 331.420 0.235 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cn(CC)cn1)C1CC1 ZINC001267336642 837220746 /nfs/dbraw/zinc/22/07/46/837220746.db2.gz UXJMPYJPENPDEJ-CYBMUJFWSA-N 1 1 331.420 0.235 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)CCc2ccn(C)n2)C1 ZINC001267581673 837845437 /nfs/dbraw/zinc/84/54/37/837845437.db2.gz CIWMXTBJSZHJDV-HNNXBMFYSA-N 1 1 347.463 0.435 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn3cccnc3n2)C1 ZINC001267586135 837863165 /nfs/dbraw/zinc/86/31/65/837863165.db2.gz KQZWVQCVAVNTRJ-HNNXBMFYSA-N 1 1 341.415 0.773 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001267589151 837874257 /nfs/dbraw/zinc/87/42/57/837874257.db2.gz HGUCYWYFWSOOBQ-OAGGEKHMSA-N 1 1 337.464 0.871 20 30 ECEDMO C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1)C(C)(F)F ZINC001267589721 837875671 /nfs/dbraw/zinc/87/56/71/837875671.db2.gz LTVVSOPROOLGOD-NEPJUHHUSA-N 1 1 330.379 0.698 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001267589817 837877371 /nfs/dbraw/zinc/87/73/71/837877371.db2.gz MYXHBPOGNYXEQN-HOCLYGCPSA-N 1 1 347.463 0.813 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NC3CC3)C2)nn1 ZINC001267590624 837878731 /nfs/dbraw/zinc/87/87/31/837878731.db2.gz UZAVEDHEOQKFDW-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001267599974 837915869 /nfs/dbraw/zinc/91/58/69/837915869.db2.gz AMTAVERAUAXNKH-CQSZACIVSA-N 1 1 331.482 0.672 20 30 ECEDMO CC#CC[N@@H+](C)CC1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC001267604302 837934559 /nfs/dbraw/zinc/93/45/59/837934559.db2.gz MIVNMNGAUZMGKE-UHFFFAOYSA-N 1 1 329.466 0.072 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)[C@H](OC)c2cnn(C)c2)CC1 ZINC001267608957 837964562 /nfs/dbraw/zinc/96/45/62/837964562.db2.gz JSNKBLNUOQECTF-QGZVFWFLSA-N 1 1 347.463 0.207 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001267617393 838038001 /nfs/dbraw/zinc/03/80/01/838038001.db2.gz GJARXPREMAVSDG-VVLHAWIVSA-N 1 1 348.491 0.435 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)CC1 ZINC001267619165 838051720 /nfs/dbraw/zinc/05/17/20/838051720.db2.gz ZOESJFSJKYXPQX-HNNXBMFYSA-N 1 1 345.491 0.914 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)CC1 ZINC001267619165 838051738 /nfs/dbraw/zinc/05/17/38/838051738.db2.gz ZOESJFSJKYXPQX-HNNXBMFYSA-N 1 1 345.491 0.914 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC001267625968 838071567 /nfs/dbraw/zinc/07/15/67/838071567.db2.gz JKDBVYNESSQJTJ-QWHCGFSZSA-N 1 1 336.354 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H](C)C(=O)NCCC)C1 ZINC001267628006 838081259 /nfs/dbraw/zinc/08/12/59/838081259.db2.gz KNOMJYJEIWWREG-IKGGRYGDSA-N 1 1 348.491 0.579 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H](C)C(=O)NCCC)C1 ZINC001267628006 838081275 /nfs/dbraw/zinc/08/12/75/838081275.db2.gz KNOMJYJEIWWREG-IKGGRYGDSA-N 1 1 348.491 0.579 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCc2ccon2)C1 ZINC001267629242 838088829 /nfs/dbraw/zinc/08/88/29/838088829.db2.gz UFWSEHOYSNDLJM-ZFWWWQNUSA-N 1 1 332.404 0.326 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCc2ccon2)C1 ZINC001267629242 838088841 /nfs/dbraw/zinc/08/88/41/838088841.db2.gz UFWSEHOYSNDLJM-ZFWWWQNUSA-N 1 1 332.404 0.326 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](C[N@H+](C)Cc2cncc(OC)n2)C1 ZINC001267631235 838091136 /nfs/dbraw/zinc/09/11/36/838091136.db2.gz DAQKHHXOMRVASI-CQSZACIVSA-N 1 1 334.420 0.968 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)CSC)C1 ZINC001267638118 838112883 /nfs/dbraw/zinc/11/28/83/838112883.db2.gz JKSKEMOXYRPUFI-KBPBESRZSA-N 1 1 325.478 0.515 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC001267657713 838172337 /nfs/dbraw/zinc/17/23/37/838172337.db2.gz CSGGDEXDSQBVHH-QGZVFWFLSA-N 1 1 327.428 0.759 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC001267671799 838205879 /nfs/dbraw/zinc/20/58/79/838205879.db2.gz WVBOHCXMKWQBFJ-NEPJUHHUSA-N 1 1 335.433 0.070 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H](CC)SC)C2)C1=O ZINC001267678430 838232825 /nfs/dbraw/zinc/23/28/25/838232825.db2.gz CVFAXEUXHOJGOR-ZIAGYGMSSA-N 1 1 325.478 0.963 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ocnc2C2CC2)C1 ZINC001267685177 838248341 /nfs/dbraw/zinc/24/83/41/838248341.db2.gz ZVQBRYOIXYKRDK-CYBMUJFWSA-N 1 1 344.415 0.695 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCc2ccncc2)C1 ZINC001267688575 838252615 /nfs/dbraw/zinc/25/26/15/838252615.db2.gz OFAPEEPQISDWED-AWEZNQCLSA-N 1 1 330.432 0.753 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001267689978 838258414 /nfs/dbraw/zinc/25/84/14/838258414.db2.gz JWVRJDIXDSFQCM-OLZOCXBDSA-N 1 1 338.452 0.952 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001267689989 838258499 /nfs/dbraw/zinc/25/84/99/838258499.db2.gz KCOHYBGOYMRBHG-ARFHVFGLSA-N 1 1 343.427 0.913 20 30 ECEDMO C=CCC1(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NC)C2)CCOCC1 ZINC001267702264 838303458 /nfs/dbraw/zinc/30/34/58/838303458.db2.gz DUOMAZJTICNHJQ-OAHLLOKOSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)CCC1=O ZINC001267704589 838304892 /nfs/dbraw/zinc/30/48/92/838304892.db2.gz BCFKRJJGWGBXHY-GJZGRUSLSA-N 1 1 331.416 0.614 20 30 ECEDMO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)CCC1=O ZINC001267704589 838304903 /nfs/dbraw/zinc/30/49/03/838304903.db2.gz BCFKRJJGWGBXHY-GJZGRUSLSA-N 1 1 331.416 0.614 20 30 ECEDMO COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001267708789 838318292 /nfs/dbraw/zinc/31/82/92/838318292.db2.gz QIJFVQAPTOKCEP-HUUCEWRRSA-N 1 1 344.477 0.097 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001267708789 838318299 /nfs/dbraw/zinc/31/82/99/838318299.db2.gz QIJFVQAPTOKCEP-HUUCEWRRSA-N 1 1 344.477 0.097 20 30 ECEDMO C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)CNC1=O ZINC001267711370 838328168 /nfs/dbraw/zinc/32/81/68/838328168.db2.gz UBGIJPAXFASVJZ-GJZGRUSLSA-N 1 1 346.431 0.407 20 30 ECEDMO C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)CNC1=O ZINC001267711370 838328169 /nfs/dbraw/zinc/32/81/69/838328169.db2.gz UBGIJPAXFASVJZ-GJZGRUSLSA-N 1 1 346.431 0.407 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(=O)c1ccco1 ZINC001267715712 838355939 /nfs/dbraw/zinc/35/59/39/838355939.db2.gz FFFWVWSMDYITBS-KKUMJFAQSA-N 1 1 347.415 0.886 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(=O)c1ccco1 ZINC001267715712 838355942 /nfs/dbraw/zinc/35/59/42/838355942.db2.gz FFFWVWSMDYITBS-KKUMJFAQSA-N 1 1 347.415 0.886 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(=O)(=O)NC(C)(C)C ZINC001267716264 838357579 /nfs/dbraw/zinc/35/75/79/838357579.db2.gz IWPQHOGIJXOSRR-STQMWFEESA-N 1 1 327.450 0.013 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(=O)(=O)NC(C)(C)C ZINC001267716264 838357582 /nfs/dbraw/zinc/35/75/82/838357582.db2.gz IWPQHOGIJXOSRR-STQMWFEESA-N 1 1 327.450 0.013 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)cc1 ZINC001267716595 838358744 /nfs/dbraw/zinc/35/87/44/838358744.db2.gz MPNXLYQQKCJFCV-HOTGVXAUSA-N 1 1 329.400 0.887 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)cc1 ZINC001267716595 838358751 /nfs/dbraw/zinc/35/87/51/838358751.db2.gz MPNXLYQQKCJFCV-HOTGVXAUSA-N 1 1 329.400 0.887 20 30 ECEDMO Cc1ocnc1C(=O)N1CCC(C[N@H+](C)CC(=O)NCC#N)CC1 ZINC001267718220 838366145 /nfs/dbraw/zinc/36/61/45/838366145.db2.gz CJXJVXIXXIBWRM-UHFFFAOYSA-N 1 1 333.392 0.407 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001267719629 838371764 /nfs/dbraw/zinc/37/17/64/838371764.db2.gz HMBXHOAZUGESMM-SADRXWBLSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001267719629 838371768 /nfs/dbraw/zinc/37/17/68/838371768.db2.gz HMBXHOAZUGESMM-SADRXWBLSA-N 1 1 336.436 0.934 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)/C=C/c2ccc[nH]2)CC1 ZINC001267724279 838384994 /nfs/dbraw/zinc/38/49/94/838384994.db2.gz CZBPQCBRMQBJFC-SNAWJCMRSA-N 1 1 343.431 0.838 20 30 ECEDMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001267726170 838399303 /nfs/dbraw/zinc/39/93/03/838399303.db2.gz UPWYWZBRYAFILY-HNNXBMFYSA-N 1 1 348.834 0.811 20 30 ECEDMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001267726170 838399315 /nfs/dbraw/zinc/39/93/15/838399315.db2.gz UPWYWZBRYAFILY-HNNXBMFYSA-N 1 1 348.834 0.811 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN(C)S(C)(=O)=O)C2)cc1 ZINC001267728112 838409456 /nfs/dbraw/zinc/40/94/56/838409456.db2.gz VFCDWFZAPRXAGC-INIZCTEOSA-N 1 1 349.456 0.363 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN(C)S(C)(=O)=O)C2)cc1 ZINC001267728112 838409461 /nfs/dbraw/zinc/40/94/61/838409461.db2.gz VFCDWFZAPRXAGC-INIZCTEOSA-N 1 1 349.456 0.363 20 30 ECEDMO Cn1[nH]c(C[N@@H+](C)CC2CCN(C(=O)C#CC(C)(C)C)CC2)nc1=O ZINC001267729610 838415491 /nfs/dbraw/zinc/41/54/91/838415491.db2.gz CCPVTONRYNLXPG-UHFFFAOYSA-N 1 1 347.463 0.828 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C[N@H+](C)CC(=O)N2CCC2)CC1 ZINC001267730381 838416256 /nfs/dbraw/zinc/41/62/56/838416256.db2.gz UJUZCUHMJTUMQW-UHFFFAOYSA-N 1 1 335.448 0.429 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)CCOCC#C)CC1 ZINC001267730547 838417338 /nfs/dbraw/zinc/41/73/38/838417338.db2.gz YVVUPKKFTRRRKH-INIZCTEOSA-N 1 1 347.459 0.335 20 30 ECEDMO CC#CC[N@@H+](C)CC1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 ZINC001267733235 838425750 /nfs/dbraw/zinc/42/57/50/838425750.db2.gz HUOJSQJUUKIMPF-UHFFFAOYSA-N 1 1 326.462 0.615 20 30 ECEDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737313 838433541 /nfs/dbraw/zinc/43/35/41/838433541.db2.gz GJRRBRPNNSIOQP-NWDGAFQWSA-N 1 1 326.466 0.737 20 30 ECEDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737313 838433543 /nfs/dbraw/zinc/43/35/43/838433543.db2.gz GJRRBRPNNSIOQP-NWDGAFQWSA-N 1 1 326.466 0.737 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CC)c2)C1 ZINC001267737747 838435015 /nfs/dbraw/zinc/43/50/15/838435015.db2.gz AZVSKXQCIHTCES-MRXNPFEDSA-N 1 1 345.447 0.908 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC)c2)C1 ZINC001267737747 838435019 /nfs/dbraw/zinc/43/50/19/838435019.db2.gz AZVSKXQCIHTCES-MRXNPFEDSA-N 1 1 345.447 0.908 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CCC(C[N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001267740079 838440224 /nfs/dbraw/zinc/44/02/24/838440224.db2.gz SOKGSOJHCDVXRM-ZDUSSCGKSA-N 1 1 338.452 0.954 20 30 ECEDMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001267740561 838440999 /nfs/dbraw/zinc/44/09/99/838440999.db2.gz KXTAGCGLGAWHTG-OAHLLOKOSA-N 1 1 344.415 0.806 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001267745632 838450966 /nfs/dbraw/zinc/45/09/66/838450966.db2.gz YZVNRUXVGRXZPI-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001267745632 838450970 /nfs/dbraw/zinc/45/09/70/838450970.db2.gz YZVNRUXVGRXZPI-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001267762075 838488549 /nfs/dbraw/zinc/48/85/49/838488549.db2.gz CULAKBNAPKKOQF-CVEARBPZSA-N 1 1 349.475 0.816 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001267762075 838488553 /nfs/dbraw/zinc/48/85/53/838488553.db2.gz CULAKBNAPKKOQF-CVEARBPZSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCOCC(=O)N(C)[C@@H]1CC[N@@H+](CCNC(=O)NC(C)(C)C)C1 ZINC001267760848 838488636 /nfs/dbraw/zinc/48/86/36/838488636.db2.gz XZKSKZLGZPETLV-CQSZACIVSA-N 1 1 340.468 0.819 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001267767942 838506083 /nfs/dbraw/zinc/50/60/83/838506083.db2.gz KYUUTAIHHRUVIF-CYBMUJFWSA-N 1 1 347.419 0.248 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001267767942 838506086 /nfs/dbraw/zinc/50/60/86/838506086.db2.gz KYUUTAIHHRUVIF-CYBMUJFWSA-N 1 1 347.419 0.248 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2F)C1 ZINC001267778054 838545174 /nfs/dbraw/zinc/54/51/74/838545174.db2.gz WETANRWCZPNEMH-HNNXBMFYSA-N 1 1 331.391 0.650 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2F)C1 ZINC001267778054 838545181 /nfs/dbraw/zinc/54/51/81/838545181.db2.gz WETANRWCZPNEMH-HNNXBMFYSA-N 1 1 331.391 0.650 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN(C)c2ccccc2)C1 ZINC001267778432 838545934 /nfs/dbraw/zinc/54/59/34/838545934.db2.gz AOFSOPZKJHHTEA-KRWDZBQOSA-N 1 1 344.459 0.958 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN(C)c2ccccc2)C1 ZINC001267778432 838545938 /nfs/dbraw/zinc/54/59/38/838545938.db2.gz AOFSOPZKJHHTEA-KRWDZBQOSA-N 1 1 344.459 0.958 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267783756 838558774 /nfs/dbraw/zinc/55/87/74/838558774.db2.gz KXVXKCBBHFYIGX-CQSZACIVSA-N 1 1 334.420 0.120 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001267785502 838561350 /nfs/dbraw/zinc/56/13/50/838561350.db2.gz FFNRXRPYAFCIAF-QWHCGFSZSA-N 1 1 347.419 0.098 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001267785502 838561358 /nfs/dbraw/zinc/56/13/58/838561358.db2.gz FFNRXRPYAFCIAF-QWHCGFSZSA-N 1 1 347.419 0.098 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn3c(n2)CCC3)C1 ZINC001267786840 838566347 /nfs/dbraw/zinc/56/63/47/838566347.db2.gz QNHDHAGHANDLMT-AWEZNQCLSA-N 1 1 345.447 0.668 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn3c(n2)CCC3)C1 ZINC001267786840 838566350 /nfs/dbraw/zinc/56/63/50/838566350.db2.gz QNHDHAGHANDLMT-AWEZNQCLSA-N 1 1 345.447 0.668 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cn3c(n2)CCC3)C1 ZINC001267786841 838566480 /nfs/dbraw/zinc/56/64/80/838566480.db2.gz QNHDHAGHANDLMT-CQSZACIVSA-N 1 1 345.447 0.668 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cn3c(n2)CCC3)C1 ZINC001267786841 838566482 /nfs/dbraw/zinc/56/64/82/838566482.db2.gz QNHDHAGHANDLMT-CQSZACIVSA-N 1 1 345.447 0.668 20 30 ECEDMO CCN(C(=O)c1ccc(OC)nn1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267790649 838570136 /nfs/dbraw/zinc/57/01/36/838570136.db2.gz OSPANSVZTONPSX-CQSZACIVSA-N 1 1 332.404 0.671 20 30 ECEDMO CCN(C(=O)c1ccc(OC)nn1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267790649 838570138 /nfs/dbraw/zinc/57/01/38/838570138.db2.gz OSPANSVZTONPSX-CQSZACIVSA-N 1 1 332.404 0.671 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnc(C)n2)C1 ZINC001267791302 838571757 /nfs/dbraw/zinc/57/17/57/838571757.db2.gz XJGGTEQSMAYQPN-DZGCQCFKSA-N 1 1 343.431 0.459 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnc(C)n2)C1 ZINC001267791302 838571762 /nfs/dbraw/zinc/57/17/62/838571762.db2.gz XJGGTEQSMAYQPN-DZGCQCFKSA-N 1 1 343.431 0.459 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267969819 838889804 /nfs/dbraw/zinc/88/98/04/838889804.db2.gz NUFJJJYHGIWEGT-CQSZACIVSA-N 1 1 329.466 0.262 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267969819 838889815 /nfs/dbraw/zinc/88/98/15/838889815.db2.gz NUFJJJYHGIWEGT-CQSZACIVSA-N 1 1 329.466 0.262 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)CSCC#N)CC2 ZINC001267972658 838904193 /nfs/dbraw/zinc/90/41/93/838904193.db2.gz NMVLWYCIGQASNV-UHFFFAOYSA-N 1 1 338.477 0.646 20 30 ECEDMO C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2 ZINC001267974962 838912614 /nfs/dbraw/zinc/91/26/14/838912614.db2.gz LHBJQPSTXUEEOS-CQSZACIVSA-N 1 1 326.462 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2 ZINC001267974962 838912626 /nfs/dbraw/zinc/91/26/26/838912626.db2.gz LHBJQPSTXUEEOS-CQSZACIVSA-N 1 1 326.462 0.615 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1C[N@H+](CC[C@H]2CCCCO2)CCO1 ZINC001268022325 839000245 /nfs/dbraw/zinc/00/02/45/839000245.db2.gz PALUQVXFWSMACR-IAGOWNOFSA-N 1 1 338.448 0.803 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CCO1 ZINC001268022325 839000255 /nfs/dbraw/zinc/00/02/55/839000255.db2.gz PALUQVXFWSMACR-IAGOWNOFSA-N 1 1 338.448 0.803 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@H]3CCCN3C)CCCC2)C1=O ZINC001268033289 839081438 /nfs/dbraw/zinc/08/14/38/839081438.db2.gz LDDZNENXQYMKLW-JKSUJKDBSA-N 1 1 348.491 0.886 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)OCC1CC1)CC2 ZINC001268043938 839199425 /nfs/dbraw/zinc/19/94/25/839199425.db2.gz PWCNGSLGQDBRBS-HNNXBMFYSA-N 1 1 347.459 0.475 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C(C)(C)C ZINC001268060327 839245287 /nfs/dbraw/zinc/24/52/87/839245287.db2.gz UZHBQPFOILIPML-WBMJQRKESA-N 1 1 338.456 0.692 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000981023589 839324783 /nfs/dbraw/zinc/32/47/83/839324783.db2.gz AHGMBIXPIQTMTM-GHMZBOCLSA-N 1 1 328.380 0.241 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129444785 223056869 /nfs/dbraw/zinc/05/68/69/223056869.db2.gz PGWJSZRRCQPAEM-QZTJIDSGSA-N 1 1 345.443 0.952 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000130062030 223117677 /nfs/dbraw/zinc/11/76/77/223117677.db2.gz ABOQYIYBZBJXAI-INIZCTEOSA-N 1 1 344.415 0.850 20 30 ECEDMO COCCOC[C@H](O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000450338589 211321595 /nfs/dbraw/zinc/32/15/95/211321595.db2.gz LKOYWPAQPOVKEB-OAHLLOKOSA-N 1 1 337.395 0.843 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000267585185 251171593 /nfs/dbraw/zinc/17/15/93/251171593.db2.gz HJNAKIXJRUJIMJ-HOTGVXAUSA-N 1 1 325.453 0.200 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000412069747 285039255 /nfs/dbraw/zinc/03/92/55/285039255.db2.gz HYXVACDXMDSHBI-OLZOCXBDSA-N 1 1 327.450 0.833 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000412069747 285039260 /nfs/dbraw/zinc/03/92/60/285039260.db2.gz HYXVACDXMDSHBI-OLZOCXBDSA-N 1 1 327.450 0.833 20 30 ECEDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000346843819 285070632 /nfs/dbraw/zinc/07/06/32/285070632.db2.gz XKIQLPVBKZWUAY-UONOGXRCSA-N 1 1 336.436 0.412 20 30 ECEDMO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000411903497 208161419 /nfs/dbraw/zinc/16/14/19/208161419.db2.gz KEYMNGISVLQXIQ-HIFRSBDPSA-N 1 1 344.415 0.922 20 30 ECEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000411907304 208161524 /nfs/dbraw/zinc/16/15/24/208161524.db2.gz DBXBSFMIQVOGEA-CVEARBPZSA-N 1 1 345.399 0.809 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)COc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000413916689 208376679 /nfs/dbraw/zinc/37/66/79/208376679.db2.gz JEKUDCHUNAVKQC-AWEZNQCLSA-N 1 1 331.372 0.500 20 30 ECEDMO C[C@H](NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CCCOC1 ZINC000329521805 254610199 /nfs/dbraw/zinc/61/01/99/254610199.db2.gz QXPJNHBOVPCTAE-LSDHHAIUSA-N 1 1 340.468 0.811 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000491669832 254926640 /nfs/dbraw/zinc/92/66/40/254926640.db2.gz UXXSRTNCGCKUJA-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1=O ZINC000496526895 255107611 /nfs/dbraw/zinc/10/76/11/255107611.db2.gz DVOCDVOOEVHJCJ-ZIAGYGMSSA-N 1 1 341.452 0.933 20 30 ECEDMO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1(CO)CCOCC1 ZINC000191032518 165028830 /nfs/dbraw/zinc/02/88/30/165028830.db2.gz VPOVCDWFOAPPQE-UHFFFAOYSA-N 1 1 338.429 0.805 20 30 ECEDMO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1(CO)CCOCC1 ZINC000191032518 165028831 /nfs/dbraw/zinc/02/88/31/165028831.db2.gz VPOVCDWFOAPPQE-UHFFFAOYSA-N 1 1 338.429 0.805 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC001041703773 782021421 /nfs/dbraw/zinc/02/14/21/782021421.db2.gz IOQQTMSKQGVGLZ-MAUKXSAKSA-N 1 1 342.447 0.573 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC001041704143 782022598 /nfs/dbraw/zinc/02/25/98/782022598.db2.gz OXVKATFSRCOUKT-LJQANCHMSA-N 1 1 342.443 0.912 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1C#N ZINC000177526130 263153690 /nfs/dbraw/zinc/15/36/90/263153690.db2.gz XAPRNLGESZUQMU-UHFFFAOYSA-N 1 1 344.415 0.720 20 30 ECEDMO Cc1[nH+]ccn1CCCNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283923519 264169465 /nfs/dbraw/zinc/16/94/65/264169465.db2.gz JAPOVGCITZBEGQ-UHFFFAOYSA-N 1 1 325.372 0.886 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000284849412 264246645 /nfs/dbraw/zinc/24/66/45/264246645.db2.gz CDKKGIRLKPTEDE-HUUCEWRRSA-N 1 1 335.429 0.960 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000284849412 264246646 /nfs/dbraw/zinc/24/66/46/264246646.db2.gz CDKKGIRLKPTEDE-HUUCEWRRSA-N 1 1 335.429 0.960 20 30 ECEDMO CCC(CC)[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000342504238 266005712 /nfs/dbraw/zinc/00/57/12/266005712.db2.gz CVXUPVCJHUNYAY-ZFWWWQNUSA-N 1 1 348.451 0.964 20 30 ECEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[NH+](CCO)CC1 ZINC000298476127 266789690 /nfs/dbraw/zinc/78/96/90/266789690.db2.gz DUAYZQVESYJSDN-UHFFFAOYSA-N 1 1 347.415 0.862 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369610316 267130882 /nfs/dbraw/zinc/13/08/82/267130882.db2.gz ZXLAJOANQBUVOW-LLVKDONJSA-N 1 1 347.423 0.799 20 30 ECEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCn1cnc(C#N)n1 ZINC000287266313 267157624 /nfs/dbraw/zinc/15/76/24/267157624.db2.gz XYHPWJZHULSXDL-HZSPNIEDSA-N 1 1 333.440 0.815 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000321731883 268080951 /nfs/dbraw/zinc/08/09/51/268080951.db2.gz ZTXWYWKKBCHONG-CVEARBPZSA-N 1 1 335.429 0.841 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000295450224 268081449 /nfs/dbraw/zinc/08/14/49/268081449.db2.gz YZZFZOJGOBGCNX-INIZCTEOSA-N 1 1 337.445 0.824 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000363683393 268134925 /nfs/dbraw/zinc/13/49/25/268134925.db2.gz RHCLVFXEPCMPOG-CABCVRRESA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)cc1 ZINC000289458597 268177261 /nfs/dbraw/zinc/17/72/61/268177261.db2.gz PWXXBDNNNYQEOZ-KGLIPLIRSA-N 1 1 343.387 0.589 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000376394452 268191224 /nfs/dbraw/zinc/19/12/24/268191224.db2.gz JICMQCBDZPSRQY-CHWSQXEVSA-N 1 1 339.417 0.761 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1 ZINC000370949393 268213328 /nfs/dbraw/zinc/21/33/28/268213328.db2.gz ARCQNBXGSLXZTA-CVEARBPZSA-N 1 1 335.429 0.748 20 30 ECEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1 ZINC000370949393 268213330 /nfs/dbraw/zinc/21/33/30/268213330.db2.gz ARCQNBXGSLXZTA-CVEARBPZSA-N 1 1 335.429 0.748 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)c1 ZINC000368756903 268250321 /nfs/dbraw/zinc/25/03/21/268250321.db2.gz XGZCAAKTIWUVSJ-UHFFFAOYSA-N 1 1 341.415 0.664 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366814433 268307690 /nfs/dbraw/zinc/30/76/90/268307690.db2.gz WZIPINYYBUYJDG-RYUDHWBXSA-N 1 1 334.401 0.538 20 30 ECEDMO CN1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC000328847426 277120038 /nfs/dbraw/zinc/12/00/38/277120038.db2.gz AQZFLURZGCNMDP-SOUVJXGZSA-N 1 1 333.436 0.764 20 30 ECEDMO CCO[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)[C@@]12CCCO2 ZINC000329575296 279830679 /nfs/dbraw/zinc/83/06/79/279830679.db2.gz VNTGTQKSSIPPHT-DLTWYDFYSA-N 1 1 341.452 0.625 20 30 ECEDMO CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000330743782 437604184 /nfs/dbraw/zinc/60/41/84/437604184.db2.gz CQHYRFYPBLDYRV-GFCCVEGCSA-N 1 1 326.441 0.909 20 30 ECEDMO C=CCOC[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C(=O)OC ZINC000360467289 437608240 /nfs/dbraw/zinc/60/82/40/437608240.db2.gz JRHGZOKAESNACX-AWEZNQCLSA-N 1 1 337.376 0.744 20 30 ECEDMO C[C@](O)(CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C[NH+]1CCOCC1 ZINC000329514078 300731056 /nfs/dbraw/zinc/73/10/56/300731056.db2.gz LTBHPUCTUOUVNT-AYDFFVQHSA-N 1 1 328.409 0.078 20 30 ECEDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CNC(=O)c1ccc(C#N)cc1)C2 ZINC000074681099 436134864 /nfs/dbraw/zinc/13/48/64/436134864.db2.gz HZMMSAQKYHGTAZ-JKSUJKDBSA-N 1 1 326.400 0.983 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2ccccc2C)CC1 ZINC000032490100 436240143 /nfs/dbraw/zinc/24/01/43/436240143.db2.gz ICBHZRBCRFUVDQ-QGZVFWFLSA-N 1 1 347.459 0.655 20 30 ECEDMO CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000029673093 436205756 /nfs/dbraw/zinc/20/57/56/436205756.db2.gz ZWEUAEULYXNWIJ-UHFFFAOYSA-N 1 1 343.431 0.641 20 30 ECEDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000080615249 436324198 /nfs/dbraw/zinc/32/41/98/436324198.db2.gz ABYWXIVRDLJORR-KRWDZBQOSA-N 1 1 325.412 0.979 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083246175 436370732 /nfs/dbraw/zinc/37/07/32/436370732.db2.gz UFDHRIFGNRVWTR-PBHICJAKSA-N 1 1 346.431 0.510 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083246175 436370735 /nfs/dbraw/zinc/37/07/35/436370735.db2.gz UFDHRIFGNRVWTR-PBHICJAKSA-N 1 1 346.431 0.510 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083251598 436372176 /nfs/dbraw/zinc/37/21/76/436372176.db2.gz ABSITWOBISKECQ-CVEARBPZSA-N 1 1 327.469 0.424 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(C#N)cc2)CC1 ZINC000047975109 436434197 /nfs/dbraw/zinc/43/41/97/436434197.db2.gz HVZQPTSIXVQVHC-INIZCTEOSA-N 1 1 326.400 0.937 20 30 ECEDMO C#CCC[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000091480468 436451293 /nfs/dbraw/zinc/45/12/93/436451293.db2.gz ZVUDAGHQKJBVCK-UHFFFAOYSA-N 1 1 327.344 0.977 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000050166797 436473272 /nfs/dbraw/zinc/47/32/72/436473272.db2.gz HGMSUNYDBVEMBB-UHFFFAOYSA-N 1 1 348.403 0.590 20 30 ECEDMO N#CC1(NC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)CCCCC1 ZINC000052214564 436504711 /nfs/dbraw/zinc/50/47/11/436504711.db2.gz ZNUBRWIRNPQGFD-UHFFFAOYSA-N 1 1 333.436 0.819 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000057713598 436614586 /nfs/dbraw/zinc/61/45/86/436614586.db2.gz YZQNBAJMYJOLGW-CYBMUJFWSA-N 1 1 349.456 0.811 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)nc1 ZINC000112557986 436632892 /nfs/dbraw/zinc/63/28/92/436632892.db2.gz OARFCARAMDFDAC-KRWDZBQOSA-N 1 1 341.459 0.661 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000112362199 436633155 /nfs/dbraw/zinc/63/31/55/436633155.db2.gz VAVRXFJMYNAXTK-UHFFFAOYSA-N 1 1 342.440 0.811 20 30 ECEDMO CN(C)c1nc(N2CCN(S(=O)(=O)CCCC#N)CC2)cc[nH+]1 ZINC000151449777 436702744 /nfs/dbraw/zinc/70/27/44/436702744.db2.gz GSDKOPMNIHZMKJ-UHFFFAOYSA-N 1 1 338.437 0.298 20 30 ECEDMO C=CCNC(=O)CN1CC[N@H+](CC(=O)NCC=C)[C@H]([C@@H](C)CC)C1 ZINC000269984337 436670284 /nfs/dbraw/zinc/67/02/84/436670284.db2.gz ZYSNDODBKLJDEU-HOTGVXAUSA-N 1 1 336.480 0.623 20 30 ECEDMO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)[C@H]([C@@H](C)CC)C1 ZINC000269984337 436670285 /nfs/dbraw/zinc/67/02/85/436670285.db2.gz ZYSNDODBKLJDEU-HOTGVXAUSA-N 1 1 336.480 0.623 20 30 ECEDMO C#CCSCCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000119966745 436675933 /nfs/dbraw/zinc/67/59/33/436675933.db2.gz IJZHTRNOFXGYNM-AWEZNQCLSA-N 1 1 340.493 0.595 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000272813442 436721359 /nfs/dbraw/zinc/72/13/59/436721359.db2.gz GRLWTCGPNJGPIN-UHFFFAOYSA-N 1 1 343.449 0.954 20 30 ECEDMO N#CCCCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000273160881 436735213 /nfs/dbraw/zinc/73/52/13/436735213.db2.gz NOUYUQAHTKRBDB-UHFFFAOYSA-N 1 1 331.424 0.592 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000245462483 436761995 /nfs/dbraw/zinc/76/19/95/436761995.db2.gz NXRSAOAIQSZBCW-ZWKOTPCHSA-N 1 1 342.443 0.944 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000245462483 436761999 /nfs/dbraw/zinc/76/19/99/436761999.db2.gz NXRSAOAIQSZBCW-ZWKOTPCHSA-N 1 1 342.443 0.944 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000125297597 436766710 /nfs/dbraw/zinc/76/67/10/436766710.db2.gz HTRCJSZHOJACDS-HUUCEWRRSA-N 1 1 331.420 0.633 20 30 ECEDMO C[C@@](O)(CNC(=O)Nc1ccc(CC#N)cc1)C[NH+]1CCOCC1 ZINC000156434682 436816755 /nfs/dbraw/zinc/81/67/55/436816755.db2.gz NWIWHIVPWZNDMX-QGZVFWFLSA-N 1 1 332.404 0.957 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)C[C@@H](O)C3CC3)CC2)o1 ZINC000156602674 436817282 /nfs/dbraw/zinc/81/72/82/436817282.db2.gz HQYYKVHNKRGNCD-OAHLLOKOSA-N 1 1 347.419 0.206 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000155333103 436792974 /nfs/dbraw/zinc/79/29/74/436792974.db2.gz ATEOVWRSFMNDLA-IAGOWNOFSA-N 1 1 341.411 0.976 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000155333103 436792979 /nfs/dbraw/zinc/79/29/79/436792979.db2.gz ATEOVWRSFMNDLA-IAGOWNOFSA-N 1 1 341.411 0.976 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)N1CCOCC1 ZINC000155504833 436796661 /nfs/dbraw/zinc/79/66/61/436796661.db2.gz REKSVTDNYIIXRN-CQSZACIVSA-N 1 1 344.419 0.108 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCN1CCOCC1 ZINC000155552964 436798227 /nfs/dbraw/zinc/79/82/27/436798227.db2.gz FKTIQNJMWROUTN-OAHLLOKOSA-N 1 1 330.436 0.581 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1C ZINC000248393983 436802090 /nfs/dbraw/zinc/80/20/90/436802090.db2.gz MNMPIIRZPMMMBF-DLBZAZTESA-N 1 1 331.416 0.978 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)cc1C ZINC000248393983 436802095 /nfs/dbraw/zinc/80/20/95/436802095.db2.gz MNMPIIRZPMMMBF-DLBZAZTESA-N 1 1 331.416 0.978 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000293208894 436856798 /nfs/dbraw/zinc/85/67/98/436856798.db2.gz AXTVBJLSMJOIGJ-UHFFFAOYSA-N 1 1 344.415 0.398 20 30 ECEDMO C=C(C)CN(CC)C(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159395138 436858138 /nfs/dbraw/zinc/85/81/38/436858138.db2.gz WQDCIGIAOAOYJO-MRXNPFEDSA-N 1 1 336.480 0.825 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000293302557 436864478 /nfs/dbraw/zinc/86/44/78/436864478.db2.gz HQPZVFMZJTXXPC-UHFFFAOYSA-N 1 1 341.371 0.746 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000293352361 436869528 /nfs/dbraw/zinc/86/95/28/436869528.db2.gz KXMRNMZSUGKPPO-UHFFFAOYSA-N 1 1 344.415 0.963 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249547570 436822721 /nfs/dbraw/zinc/82/27/21/436822721.db2.gz GRHLMEZYELHPEC-APWZRJJASA-N 1 1 329.444 0.693 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000135764095 436922806 /nfs/dbraw/zinc/92/28/06/436922806.db2.gz JIOBWOLDRHPFLG-AWEZNQCLSA-N 1 1 331.420 0.525 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000135764095 436922811 /nfs/dbraw/zinc/92/28/11/436922811.db2.gz JIOBWOLDRHPFLG-AWEZNQCLSA-N 1 1 331.420 0.525 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000293489176 436881206 /nfs/dbraw/zinc/88/12/06/436881206.db2.gz WGCBTZLMZUFZOK-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2ccc(C#N)c(F)c2)n1C ZINC000293614072 436893196 /nfs/dbraw/zinc/89/31/96/436893196.db2.gz YNAXKGZBFOCFNF-UHFFFAOYSA-N 1 1 337.380 0.975 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000293792044 436909365 /nfs/dbraw/zinc/90/93/65/436909365.db2.gz MPCAUXHJOCFDAT-UHFFFAOYSA-N 1 1 343.836 0.672 20 30 ECEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295272402 436963095 /nfs/dbraw/zinc/96/30/95/436963095.db2.gz CIMOPWDFFUHNHN-JQHSSLGASA-N 1 1 331.416 0.703 20 30 ECEDMO CCC[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CC[N@@H+]1CCOC ZINC000166041853 436937270 /nfs/dbraw/zinc/93/72/70/436937270.db2.gz ZLHJIKNVQOTQAY-CQSZACIVSA-N 1 1 332.470 0.509 20 30 ECEDMO CCC[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CC[N@H+]1CCOC ZINC000166041853 436937274 /nfs/dbraw/zinc/93/72/74/436937274.db2.gz ZLHJIKNVQOTQAY-CQSZACIVSA-N 1 1 332.470 0.509 20 30 ECEDMO C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@H](N2CC=CC2)C1 ZINC000262785332 436942177 /nfs/dbraw/zinc/94/21/77/436942177.db2.gz MJDKJGFEBHMWHE-AWEZNQCLSA-N 1 1 331.468 0.508 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N[C@@H]1CCOc2ccccc21 ZINC000262820680 436943942 /nfs/dbraw/zinc/94/39/42/436943942.db2.gz YCFAOMWBZLWBLS-GDBMZVCRSA-N 1 1 329.448 0.675 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000170690181 436950125 /nfs/dbraw/zinc/95/01/25/436950125.db2.gz QRTKEBOKMHJLMF-LBPRGKRZSA-N 1 1 326.397 0.702 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000170690181 436950126 /nfs/dbraw/zinc/95/01/26/436950126.db2.gz QRTKEBOKMHJLMF-LBPRGKRZSA-N 1 1 326.397 0.702 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C(=O)NCc1ccccc1 ZINC000296725125 436998347 /nfs/dbraw/zinc/99/83/47/436998347.db2.gz CLGOOMPPBQOWTK-OAHLLOKOSA-N 1 1 330.432 0.946 20 30 ECEDMO CC#CCN(C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000297574737 437009754 /nfs/dbraw/zinc/00/97/54/437009754.db2.gz OPBDQMVEPPJROY-UHFFFAOYSA-N 1 1 330.436 0.653 20 30 ECEDMO CC(C)C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)N(C)C ZINC000264064625 437014835 /nfs/dbraw/zinc/01/48/35/437014835.db2.gz DOLSWQWCXLFZRN-HNNXBMFYSA-N 1 1 333.484 0.890 20 30 ECEDMO C=CCN(CC=C)C(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000284111852 437040953 /nfs/dbraw/zinc/04/09/53/437040953.db2.gz CLRORRNVFCIAOK-INIZCTEOSA-N 1 1 336.480 0.577 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000284410097 437053332 /nfs/dbraw/zinc/05/33/32/437053332.db2.gz XCJQFMXASOIDJW-GJZGRUSLSA-N 1 1 334.420 0.795 20 30 ECEDMO C[C@@H](CNC(=O)COc1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000298989492 437058356 /nfs/dbraw/zinc/05/83/56/437058356.db2.gz HVHHPKFAIZTBRJ-HNNXBMFYSA-N 1 1 330.432 0.937 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)c2ccc(F)c(F)c2)CC1 ZINC000299328161 437070025 /nfs/dbraw/zinc/07/00/25/437070025.db2.gz OXZFHOOAFUPBLY-UHFFFAOYSA-N 1 1 335.354 0.862 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285055927 437075608 /nfs/dbraw/zinc/07/56/08/437075608.db2.gz OIORMUYHGFUNRV-SJCJKPOMSA-N 1 1 348.378 0.383 20 30 ECEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285055927 437075612 /nfs/dbraw/zinc/07/56/12/437075612.db2.gz OIORMUYHGFUNRV-SJCJKPOMSA-N 1 1 348.378 0.383 20 30 ECEDMO Cn1nccc1[C@H]1[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)CC(=O)N1C ZINC000285144397 303097436 /nfs/dbraw/zinc/09/74/36/303097436.db2.gz OXKGBURGBLJHLR-JLZZUVOBSA-N 1 1 344.419 0.090 20 30 ECEDMO C#CCNC(=O)c1ccc(NC2CC[NH+](CC(=O)NC)CC2)nc1 ZINC000264855113 437094733 /nfs/dbraw/zinc/09/47/33/437094733.db2.gz KIMUXSGKNSYTOM-UHFFFAOYSA-N 1 1 329.404 0.067 20 30 ECEDMO C#CCNc1nc(N[C@H](CO)CC=C)[nH+]c(N[C@H](CO)CC=C)n1 ZINC000287033495 437154157 /nfs/dbraw/zinc/15/41/57/437154157.db2.gz WFGQYJFCPJSMEM-STQMWFEESA-N 1 1 332.408 0.615 20 30 ECEDMO C#CCNc1nc(N[C@H](CO)CC=C)nc(N[C@H](CO)CC=C)[nH+]1 ZINC000287033495 437154161 /nfs/dbraw/zinc/15/41/61/437154161.db2.gz WFGQYJFCPJSMEM-STQMWFEESA-N 1 1 332.408 0.615 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000286764367 437128609 /nfs/dbraw/zinc/12/86/09/437128609.db2.gz XTEQKJKKSXCBEC-HNNXBMFYSA-N 1 1 349.431 0.674 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000331909310 437177686 /nfs/dbraw/zinc/17/76/86/437177686.db2.gz KNEHBHRIHNMJQS-AWEZNQCLSA-N 1 1 346.435 0.061 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000331909310 437177690 /nfs/dbraw/zinc/17/76/90/437177690.db2.gz KNEHBHRIHNMJQS-AWEZNQCLSA-N 1 1 346.435 0.061 20 30 ECEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]CN3CCC(=O)CC3)C2=O)cc1 ZINC000277266219 437204807 /nfs/dbraw/zinc/20/48/07/437204807.db2.gz PKNXXWDZYVFRPE-QGZVFWFLSA-N 1 1 326.400 0.871 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](O)[C@H]3C)CC2)o1 ZINC000332314446 437212261 /nfs/dbraw/zinc/21/22/61/437212261.db2.gz OTHXWLXQGMRQQD-IUODEOHRSA-N 1 1 347.419 0.349 20 30 ECEDMO N#Cc1ccnc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000266933005 437266544 /nfs/dbraw/zinc/26/65/44/437266544.db2.gz UCUYTQNHCVPJFT-UHFFFAOYSA-N 1 1 327.348 0.880 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)c1C#N ZINC000266670387 437227727 /nfs/dbraw/zinc/22/77/27/437227727.db2.gz QRFLREDLJZYRES-UHFFFAOYSA-N 1 1 332.429 0.970 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CNc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000332603351 437236310 /nfs/dbraw/zinc/23/63/10/437236310.db2.gz IKSDZHIECAKCFH-OKILXGFUSA-N 1 1 345.447 1.369 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CNc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000332603351 437236314 /nfs/dbraw/zinc/23/63/14/437236314.db2.gz IKSDZHIECAKCFH-OKILXGFUSA-N 1 1 345.447 1.369 20 30 ECEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC2(CO)COC2)C[C@@H](C)O1 ZINC000328624977 437242447 /nfs/dbraw/zinc/24/24/47/437242447.db2.gz ZZICKDNWLBJIJE-CHWSQXEVSA-N 1 1 329.441 0.387 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(F)cc3n[nH]nc32)CC1 ZINC000328656510 437249033 /nfs/dbraw/zinc/24/90/33/437249033.db2.gz NYFOSALKZAAWBY-UHFFFAOYSA-N 1 1 348.382 0.954 20 30 ECEDMO NS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000328687678 437252803 /nfs/dbraw/zinc/25/28/03/437252803.db2.gz ZHJWXDDNDWTPPG-ZIAGYGMSSA-N 1 1 344.481 0.670 20 30 ECEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC(=O)N(C)[C@H](C)C2)C[C@H](C)O1 ZINC000328727309 437257014 /nfs/dbraw/zinc/25/70/14/437257014.db2.gz VCDJZABUCNVJRX-MCIONIFRSA-N 1 1 340.468 0.951 20 30 ECEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC(=O)N(C)[C@H](C)C2)C[C@H](C)O1 ZINC000328727309 437257015 /nfs/dbraw/zinc/25/70/15/437257015.db2.gz VCDJZABUCNVJRX-MCIONIFRSA-N 1 1 340.468 0.951 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000336897451 437306441 /nfs/dbraw/zinc/30/64/41/437306441.db2.gz OMOQIBOAZUCSGJ-KFWWJZLASA-N 1 1 346.497 0.802 20 30 ECEDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000278356658 437306979 /nfs/dbraw/zinc/30/69/79/437306979.db2.gz RBONSDXYRVIZAJ-JQHSSLGASA-N 1 1 334.416 0.937 20 30 ECEDMO C[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000336924002 437312673 /nfs/dbraw/zinc/31/26/73/437312673.db2.gz VDGDGPNDPPUZNB-RDBSUJKOSA-N 1 1 330.454 0.166 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000336925424 437312901 /nfs/dbraw/zinc/31/29/01/437312901.db2.gz UXRGFCKAXQMWDK-AWEZNQCLSA-N 1 1 332.470 0.415 20 30 ECEDMO C=C(C)C[N@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000181270194 437314596 /nfs/dbraw/zinc/31/45/96/437314596.db2.gz HRHOZCAYQIJMEB-UHFFFAOYSA-N 1 1 325.434 0.501 20 30 ECEDMO CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]3OCCN(C)[C@@H]3C1)CC2 ZINC000329087350 437315757 /nfs/dbraw/zinc/31/57/57/437315757.db2.gz VBNCUSCDVSDVER-MCIONIFRSA-N 1 1 348.451 0.474 20 30 ECEDMO CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000329117534 437321116 /nfs/dbraw/zinc/32/11/16/437321116.db2.gz NZDFVEFBGQJRFH-GFCCVEGCSA-N 1 1 330.454 0.104 20 30 ECEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000333697111 437281870 /nfs/dbraw/zinc/28/18/70/437281870.db2.gz JYCRTUYXFHLOGO-UHFFFAOYSA-N 1 1 326.360 0.923 20 30 ECEDMO CCNC(=O)N1CC[C@H](NC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000328970818 437295387 /nfs/dbraw/zinc/29/53/87/437295387.db2.gz BIOBJVOTBJEIMP-IHRRRGAJSA-N 1 1 341.456 0.560 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000334095892 437296697 /nfs/dbraw/zinc/29/66/97/437296697.db2.gz RUWLOBJNHBXSJJ-ILXRZTDVSA-N 1 1 336.436 0.278 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000288726759 437349210 /nfs/dbraw/zinc/34/92/10/437349210.db2.gz FYYRGLORLIHTSL-UHFFFAOYSA-N 1 1 331.420 0.496 20 30 ECEDMO CN(CCCNC(=O)C(=O)Nc1ccc(C#N)cc1)CC[NH+](C)C ZINC000288726759 437349211 /nfs/dbraw/zinc/34/92/11/437349211.db2.gz FYYRGLORLIHTSL-UHFFFAOYSA-N 1 1 331.420 0.496 20 30 ECEDMO Cn1cc(C[N@@H+]2CCCN(C(=O)NCc3nccn3C)CC2)cn1 ZINC000329336445 437353519 /nfs/dbraw/zinc/35/35/19/437353519.db2.gz PGCVAXMAKTUEHB-UHFFFAOYSA-N 1 1 331.424 0.776 20 30 ECEDMO Cn1cc(C[N@H+]2CCCN(C(=O)NCc3nccn3C)CC2)cn1 ZINC000329336445 437353524 /nfs/dbraw/zinc/35/35/24/437353524.db2.gz PGCVAXMAKTUEHB-UHFFFAOYSA-N 1 1 331.424 0.776 20 30 ECEDMO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329389206 437362141 /nfs/dbraw/zinc/36/21/41/437362141.db2.gz RSQVBZMKBVHNMY-LXTVHRRPSA-N 1 1 334.424 0.691 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337026062 437323376 /nfs/dbraw/zinc/32/33/76/437323376.db2.gz BCWBUKDXXGSEGV-CABCVRRESA-N 1 1 344.481 0.367 20 30 ECEDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000337057891 437323677 /nfs/dbraw/zinc/32/36/77/437323677.db2.gz DOZGJUCHNHDOBR-KGLIPLIRSA-N 1 1 330.454 0.119 20 30 ECEDMO CNC(=O)[C@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@@H]1c1cnn(C)c1 ZINC000329142753 437325381 /nfs/dbraw/zinc/32/53/81/437325381.db2.gz VFLDLSSPCAWISU-OLZOCXBDSA-N 1 1 346.439 0.964 20 30 ECEDMO CNC(=O)[C@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@@H]1c1cnn(C)c1 ZINC000329142753 437325383 /nfs/dbraw/zinc/32/53/83/437325383.db2.gz VFLDLSSPCAWISU-OLZOCXBDSA-N 1 1 346.439 0.964 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@@H](C)S1(=O)=O ZINC000329502619 437376093 /nfs/dbraw/zinc/37/60/93/437376093.db2.gz ALUVRTDMEZPTAB-YRGRVCCFSA-N 1 1 349.522 0.845 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000338631108 437413666 /nfs/dbraw/zinc/41/36/66/437413666.db2.gz AHEGRRKLOOTHCB-UHFFFAOYSA-N 1 1 346.406 0.641 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2=O)CC[N@H+]1C ZINC000329816306 437416195 /nfs/dbraw/zinc/41/61/95/437416195.db2.gz VUOQGNNQTFXNGR-NFAWXSAZSA-N 1 1 348.451 0.902 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000329814365 437416252 /nfs/dbraw/zinc/41/62/52/437416252.db2.gz DDSDVXPTQJQGJR-PBHICJAKSA-N 1 1 346.479 0.934 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1 ZINC000329868270 437423781 /nfs/dbraw/zinc/42/37/81/437423781.db2.gz XFSZCLRIXXTLKA-RWMBFGLXSA-N 1 1 333.454 0.476 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000329888815 437425736 /nfs/dbraw/zinc/42/57/36/437425736.db2.gz ZLUAXXSBQYENGJ-ILXRZTDVSA-N 1 1 326.485 0.875 20 30 ECEDMO Cc1nc([C@H]2CN(C(=O)NCC[NH+]3CCSCC3)CCO2)no1 ZINC000329513058 437377861 /nfs/dbraw/zinc/37/78/61/437377861.db2.gz NRGRGBUZSGIOSU-GFCCVEGCSA-N 1 1 341.437 0.714 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184282595 437398300 /nfs/dbraw/zinc/39/83/00/437398300.db2.gz LKCPEYQDPNQSTA-AWEZNQCLSA-N 1 1 326.360 0.798 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184282595 437398305 /nfs/dbraw/zinc/39/83/05/437398305.db2.gz LKCPEYQDPNQSTA-AWEZNQCLSA-N 1 1 326.360 0.798 20 30 ECEDMO Cn1c2cc(O)c(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2n(C)c1=O ZINC000329685257 437400377 /nfs/dbraw/zinc/40/03/77/437400377.db2.gz YLLQXOXLRJAYBR-AWEZNQCLSA-N 1 1 345.403 0.561 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cnc3n[nH]nc3c2)CC1 ZINC000329687175 437400827 /nfs/dbraw/zinc/40/08/27/437400827.db2.gz VBOYLZUSHFXHGO-UHFFFAOYSA-N 1 1 331.380 0.210 20 30 ECEDMO C[C@@H]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCS1(=O)=O ZINC000330254472 437474975 /nfs/dbraw/zinc/47/49/75/437474975.db2.gz PFOYJLBODQLWIZ-OCCSQVGLSA-N 1 1 349.522 0.847 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000330266720 437478239 /nfs/dbraw/zinc/47/82/39/437478239.db2.gz QBENQSZJFWJIAN-GOEBONIOSA-N 1 1 340.468 0.416 20 30 ECEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000330266719 437478413 /nfs/dbraw/zinc/47/84/13/437478413.db2.gz QBENQSZJFWJIAN-GDBMZVCRSA-N 1 1 340.468 0.416 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000290375131 437481251 /nfs/dbraw/zinc/48/12/51/437481251.db2.gz BEZGCVSCRUROBW-SFHVURJKSA-N 1 1 339.439 0.975 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000339015728 437434287 /nfs/dbraw/zinc/43/42/87/437434287.db2.gz BVFSXLRGSXZMMA-ILXRZTDVSA-N 1 1 344.481 0.508 20 30 ECEDMO CCNS(=O)(=O)[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330194475 437468231 /nfs/dbraw/zinc/46/82/31/437468231.db2.gz OTOHDYBPXVOJKT-VXGBXAGGSA-N 1 1 341.437 0.126 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330384543 437498647 /nfs/dbraw/zinc/49/86/47/437498647.db2.gz KQRAHQJHRBUXDK-KBPBESRZSA-N 1 1 332.470 0.508 20 30 ECEDMO Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CCC(CS(N)(=O)=O)CC1 ZINC000330405070 437502202 /nfs/dbraw/zinc/50/22/02/437502202.db2.gz XMZLYHLXVBDEBZ-UHFFFAOYSA-N 1 1 343.453 0.496 20 30 ECEDMO Cc1[nH+]ccn1CCCNC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000330405070 437502209 /nfs/dbraw/zinc/50/22/09/437502209.db2.gz XMZLYHLXVBDEBZ-UHFFFAOYSA-N 1 1 343.453 0.496 20 30 ECEDMO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCN(c2[nH+]ccn2C)CC1 ZINC000330501759 437532044 /nfs/dbraw/zinc/53/20/44/437532044.db2.gz AYCRBXFSEHRHFV-CYBMUJFWSA-N 1 1 336.440 0.617 20 30 ECEDMO Cn1cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000360198803 437553115 /nfs/dbraw/zinc/55/31/15/437553115.db2.gz IUMIPSZABFVDHG-OAHLLOKOSA-N 1 1 345.428 0.822 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000360198803 437553121 /nfs/dbraw/zinc/55/31/21/437553121.db2.gz IUMIPSZABFVDHG-OAHLLOKOSA-N 1 1 345.428 0.822 20 30 ECEDMO CCC[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C)C2)CC[N@H+]1CCOC ZINC000330580945 437558717 /nfs/dbraw/zinc/55/87/17/437558717.db2.gz ULISDNKZMPIQJI-ZIAGYGMSSA-N 1 1 326.441 0.564 20 30 ECEDMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000354224695 437563877 /nfs/dbraw/zinc/56/38/77/437563877.db2.gz ORGRIDKFKHMTQT-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000190365356 437624996 /nfs/dbraw/zinc/62/49/96/437624996.db2.gz ADDRYIWXYASWBW-CABCVRRESA-N 1 1 334.482 0.686 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)n1 ZINC000343469662 437589006 /nfs/dbraw/zinc/58/90/06/437589006.db2.gz OIWFINVMBBBPPD-VXGBXAGGSA-N 1 1 332.408 0.825 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2noc(C)c2C#N)[C@@H](C)C1 ZINC000354478085 437626288 /nfs/dbraw/zinc/62/62/88/437626288.db2.gz LQUGZJZXBGTZFG-NSHDSACASA-N 1 1 334.376 0.493 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2noc(C)c2C#N)[C@@H](C)C1 ZINC000354478085 437626291 /nfs/dbraw/zinc/62/62/91/437626291.db2.gz LQUGZJZXBGTZFG-NSHDSACASA-N 1 1 334.376 0.493 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000343739892 437643302 /nfs/dbraw/zinc/64/33/02/437643302.db2.gz NYDCZWNNFGORGO-CQSZACIVSA-N 1 1 334.464 0.520 20 30 ECEDMO C=C[C@](C)(CCOC)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000331021935 437672914 /nfs/dbraw/zinc/67/29/14/437672914.db2.gz KWVXFWDJMQJNDM-CRAIPNDOSA-N 1 1 337.464 0.980 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CCO1 ZINC000330935512 437653355 /nfs/dbraw/zinc/65/33/55/437653355.db2.gz NQDUOSQAUXPMAT-KBPBESRZSA-N 1 1 327.425 0.752 20 30 ECEDMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292047882 437654400 /nfs/dbraw/zinc/65/44/00/437654400.db2.gz BAKXLYRREDKROL-DGCLKSJQSA-N 1 1 332.360 0.084 20 30 ECEDMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292047882 437654405 /nfs/dbraw/zinc/65/44/05/437654405.db2.gz BAKXLYRREDKROL-DGCLKSJQSA-N 1 1 332.360 0.084 20 30 ECEDMO CC[C@@H]1CN(C(=O)N[C@H]2CCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC000331030579 437673965 /nfs/dbraw/zinc/67/39/65/437673965.db2.gz FTYWHHBNSLKTTQ-LSDHHAIUSA-N 1 1 326.441 0.564 20 30 ECEDMO N#CCNC(=O)CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000343950426 437704699 /nfs/dbraw/zinc/70/46/99/437704699.db2.gz AAQAXTNVWFSCJW-UHFFFAOYSA-N 1 1 329.404 0.374 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000340724140 437717384 /nfs/dbraw/zinc/71/73/84/437717384.db2.gz LDGKUXMPUFEFCA-XHDPSFHLSA-N 1 1 335.408 0.103 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000363078019 437768985 /nfs/dbraw/zinc/76/89/85/437768985.db2.gz FVLAAJAQTFHLEA-ZNMIVQPWSA-N 1 1 331.420 0.761 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000363078019 437768990 /nfs/dbraw/zinc/76/89/90/437768990.db2.gz FVLAAJAQTFHLEA-ZNMIVQPWSA-N 1 1 331.420 0.761 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000340744719 437723381 /nfs/dbraw/zinc/72/33/81/437723381.db2.gz OOBGAPVZJZSAGS-AWEZNQCLSA-N 1 1 338.452 0.080 20 30 ECEDMO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)CC1(O)CCOCC1 ZINC000331279163 437731718 /nfs/dbraw/zinc/73/17/18/437731718.db2.gz AUCRYKZMNNHUGZ-VIFPVBQESA-N 1 1 341.330 0.441 20 30 ECEDMO C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331307021 437737910 /nfs/dbraw/zinc/73/79/10/437737910.db2.gz SCPQWCZVIGWWHW-CYBMUJFWSA-N 1 1 348.513 0.291 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccncc2)CC1 ZINC000362920465 437761343 /nfs/dbraw/zinc/76/13/43/437761343.db2.gz MKDQNQMFRNGJHL-KRWDZBQOSA-N 1 1 340.427 0.854 20 30 ECEDMO CC(C)C[C@H](CNC(=O)CNc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000345536621 437793240 /nfs/dbraw/zinc/79/32/40/437793240.db2.gz INMKRFZJAOBFLW-MRXNPFEDSA-N 1 1 345.447 1.228 20 30 ECEDMO COC(=O)c1cn([C@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)nn1 ZINC000363905705 437808855 /nfs/dbraw/zinc/80/88/55/437808855.db2.gz DFLQZWIDSYWRCU-HOCLYGCPSA-N 1 1 341.371 0.917 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 ZINC000364338653 437814363 /nfs/dbraw/zinc/81/43/63/437814363.db2.gz MJFNFCYTJXJIOM-INIZCTEOSA-N 1 1 326.400 0.823 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371306201 437918349 /nfs/dbraw/zinc/91/83/49/437918349.db2.gz SJVLMUYIWDOZOU-WBVHZDCISA-N 1 1 335.496 0.847 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371306201 437918354 /nfs/dbraw/zinc/91/83/54/437918354.db2.gz SJVLMUYIWDOZOU-WBVHZDCISA-N 1 1 335.496 0.847 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000416439441 437932518 /nfs/dbraw/zinc/93/25/18/437932518.db2.gz LRWXZSYOCKBFIH-VNQPRFMTSA-N 1 1 337.445 0.701 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000416439441 437932523 /nfs/dbraw/zinc/93/25/23/437932523.db2.gz LRWXZSYOCKBFIH-VNQPRFMTSA-N 1 1 337.445 0.701 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000416439440 437932613 /nfs/dbraw/zinc/93/26/13/437932613.db2.gz LRWXZSYOCKBFIH-KBMXLJTQSA-N 1 1 337.445 0.701 20 30 ECEDMO C[C@H](C#N)S(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000416439440 437932619 /nfs/dbraw/zinc/93/26/19/437932619.db2.gz LRWXZSYOCKBFIH-KBMXLJTQSA-N 1 1 337.445 0.701 20 30 ECEDMO N#Cc1ccccc1N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000371225054 437901576 /nfs/dbraw/zinc/90/15/76/437901576.db2.gz FUBICBDZJMZYPT-GOSISDBHSA-N 1 1 339.443 0.597 20 30 ECEDMO Cc1cc(NC(=O)N2CCC[N@H+]([C@H](C)CO)CC2)nn1CCC#N ZINC000347573141 437910185 /nfs/dbraw/zinc/91/01/85/437910185.db2.gz WNCBBRNHFNUPQN-CQSZACIVSA-N 1 1 334.424 1.026 20 30 ECEDMO N#Cc1cc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)c[nH]1 ZINC000371484326 437941893 /nfs/dbraw/zinc/94/18/93/437941893.db2.gz BWDYHDOGCRGMBM-UHFFFAOYSA-N 1 1 329.404 0.703 20 30 ECEDMO C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000371545663 437952630 /nfs/dbraw/zinc/95/26/30/437952630.db2.gz WOUXZEAANKXTAB-SOUVJXGZSA-N 1 1 338.452 0.477 20 30 ECEDMO COC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@H+](C)C1 ZINC000416585227 437965953 /nfs/dbraw/zinc/96/59/53/437965953.db2.gz NMMWICXDHNACSW-LBPRGKRZSA-N 1 1 329.422 0.047 20 30 ECEDMO COC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@@H+](C)C1 ZINC000416585227 437965959 /nfs/dbraw/zinc/96/59/59/437965959.db2.gz NMMWICXDHNACSW-LBPRGKRZSA-N 1 1 329.422 0.047 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425312322 438019677 /nfs/dbraw/zinc/01/96/77/438019677.db2.gz GPRZASYIAWDNTO-AWEZNQCLSA-N 1 1 325.453 0.884 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)n(CCC#N)n1 ZINC000348206891 438027229 /nfs/dbraw/zinc/02/72/29/438027229.db2.gz MUXVOWKSETYHTP-AWEZNQCLSA-N 1 1 334.424 1.338 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)C1(C#N)CCCCC1 ZINC000366312984 438052187 /nfs/dbraw/zinc/05/21/87/438052187.db2.gz OSPVQOWTFITKJN-STQMWFEESA-N 1 1 332.404 0.266 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000430382166 438110299 /nfs/dbraw/zinc/11/02/99/438110299.db2.gz DHVQUUHERURWEQ-HOCLYGCPSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000430403722 438110622 /nfs/dbraw/zinc/11/06/22/438110622.db2.gz VNOFTHOJICEFQV-FZKCQIBNSA-N 1 1 337.464 0.882 20 30 ECEDMO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000366664697 438111622 /nfs/dbraw/zinc/11/16/22/438111622.db2.gz DLPLXSCBHYLWPI-CQSZACIVSA-N 1 1 332.404 0.596 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000358207237 438182842 /nfs/dbraw/zinc/18/28/42/438182842.db2.gz ZBLIVWSQQKTONZ-ZDUSSCGKSA-N 1 1 329.809 0.557 20 30 ECEDMO COCCC[N@H+]1CCCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000373775897 438167966 /nfs/dbraw/zinc/16/79/66/438167966.db2.gz QLIMFQZNWIONDL-UHFFFAOYSA-N 1 1 338.433 0.686 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000374310845 438202063 /nfs/dbraw/zinc/20/20/63/438202063.db2.gz QNGCJBBSRMYHNM-KBPBESRZSA-N 1 1 335.408 0.320 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC000374448367 438210862 /nfs/dbraw/zinc/21/08/62/438210862.db2.gz GIVRLPNDEYHMNL-HNNXBMFYSA-N 1 1 346.497 0.757 20 30 ECEDMO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000367874663 438259841 /nfs/dbraw/zinc/25/98/41/438259841.db2.gz OTYUEHCEAJXNKN-UHFFFAOYSA-N 1 1 335.389 0.832 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000376150986 438272885 /nfs/dbraw/zinc/27/28/85/438272885.db2.gz UKCBKICREVAWTF-HNNXBMFYSA-N 1 1 336.436 0.462 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000376246764 438277827 /nfs/dbraw/zinc/27/78/27/438277827.db2.gz HAFKDLICPBXZTJ-HNNXBMFYSA-N 1 1 341.477 0.216 20 30 ECEDMO C#CCCCS(=O)(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000376398347 438281597 /nfs/dbraw/zinc/28/15/97/438281597.db2.gz WSAXHIOTTSGPMD-IRXDYDNUSA-N 1 1 336.457 0.955 20 30 ECEDMO C#CCCCS(=O)(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000376398347 438281600 /nfs/dbraw/zinc/28/16/00/438281600.db2.gz WSAXHIOTTSGPMD-IRXDYDNUSA-N 1 1 336.457 0.955 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434998249 438339381 /nfs/dbraw/zinc/33/93/81/438339381.db2.gz AAXHQLBTELPVOM-INIZCTEOSA-N 1 1 349.431 0.571 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000351592788 438297021 /nfs/dbraw/zinc/29/70/21/438297021.db2.gz AKQUNNDJPVSDAV-OKILXGFUSA-N 1 1 332.470 0.556 20 30 ECEDMO C[C@@H]1C[N@H+](CCCCNS(=O)(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000351592788 438297026 /nfs/dbraw/zinc/29/70/26/438297026.db2.gz AKQUNNDJPVSDAV-OKILXGFUSA-N 1 1 332.470 0.556 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)nn1CCC#N ZINC000378490568 438393906 /nfs/dbraw/zinc/39/39/06/438393906.db2.gz DTNYJHLNIKAPHG-KBPBESRZSA-N 1 1 344.419 0.596 20 30 ECEDMO N#CCNC(=O)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352881388 438487816 /nfs/dbraw/zinc/48/78/16/438487816.db2.gz ZESJNZQTFXBMNL-SFHVURJKSA-N 1 1 341.459 0.518 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000369675418 438503751 /nfs/dbraw/zinc/50/37/51/438503751.db2.gz FWNRRJAMMDYDPW-BZUAXINKSA-N 1 1 335.448 0.908 20 30 ECEDMO N#CC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000408123711 438518465 /nfs/dbraw/zinc/51/84/65/438518465.db2.gz JJBDJKAIAPQOOS-INIZCTEOSA-N 1 1 348.447 0.462 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000369867595 438523303 /nfs/dbraw/zinc/52/33/03/438523303.db2.gz KOVFPXWZPDPPPE-KBPBESRZSA-N 1 1 346.522 0.836 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000410913143 438667227 /nfs/dbraw/zinc/66/72/27/438667227.db2.gz WCPBBUHZGYVOAU-OAHLLOKOSA-N 1 1 325.453 0.838 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000447387943 438676515 /nfs/dbraw/zinc/67/65/15/438676515.db2.gz VQTGHUNBSZUSPM-CABCVRRESA-N 1 1 327.425 0.094 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000447387943 438676519 /nfs/dbraw/zinc/67/65/19/438676519.db2.gz VQTGHUNBSZUSPM-CABCVRRESA-N 1 1 327.425 0.094 20 30 ECEDMO C=CCNC(=O)c1ccc(N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)nc1 ZINC000413492847 438694702 /nfs/dbraw/zinc/69/47/02/438694702.db2.gz DSBUMMFUIKJSQB-AWEZNQCLSA-N 1 1 332.404 0.538 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)CC12COC2 ZINC000451138205 438696345 /nfs/dbraw/zinc/69/63/45/438696345.db2.gz QFCBGUHNJINWPE-KGLIPLIRSA-N 1 1 337.420 0.506 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)CC12COC2 ZINC000451138205 438696347 /nfs/dbraw/zinc/69/63/47/438696347.db2.gz QFCBGUHNJINWPE-KGLIPLIRSA-N 1 1 337.420 0.506 20 30 ECEDMO N#Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)ccc1F ZINC000451663265 438704541 /nfs/dbraw/zinc/70/45/41/438704541.db2.gz AQRHGZGQPGMIPE-CYBMUJFWSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)ccc1F ZINC000451663265 438704543 /nfs/dbraw/zinc/70/45/43/438704543.db2.gz AQRHGZGQPGMIPE-CYBMUJFWSA-N 1 1 341.408 0.822 20 30 ECEDMO Cc1cccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1C#N ZINC000451664859 438704935 /nfs/dbraw/zinc/70/49/35/438704935.db2.gz CHICVMQLKFCTDK-CQSZACIVSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c1C#N ZINC000451664859 438704937 /nfs/dbraw/zinc/70/49/37/438704937.db2.gz CHICVMQLKFCTDK-CQSZACIVSA-N 1 1 337.445 0.992 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456223484 438764707 /nfs/dbraw/zinc/76/47/07/438764707.db2.gz KHCFHYKJIOBIOZ-OKILXGFUSA-N 1 1 347.415 0.859 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456223484 438764710 /nfs/dbraw/zinc/76/47/10/438764710.db2.gz KHCFHYKJIOBIOZ-OKILXGFUSA-N 1 1 347.415 0.859 20 30 ECEDMO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000558676918 438821960 /nfs/dbraw/zinc/82/19/60/438821960.db2.gz SYRCLTJYUCSFCX-CQSZACIVSA-N 1 1 329.408 0.385 20 30 ECEDMO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000558676918 438821965 /nfs/dbraw/zinc/82/19/65/438821965.db2.gz SYRCLTJYUCSFCX-CQSZACIVSA-N 1 1 329.408 0.385 20 30 ECEDMO CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000588127535 438821912 /nfs/dbraw/zinc/82/19/12/438821912.db2.gz KTFOGUUCLDCGDF-UHFFFAOYSA-N 1 1 335.452 0.033 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000577188786 438822436 /nfs/dbraw/zinc/82/24/36/438822436.db2.gz MVPSINLRWZTJSX-YESZJQIVSA-N 1 1 325.453 0.853 20 30 ECEDMO N#Cc1ncn(CCNC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000595622096 438836741 /nfs/dbraw/zinc/83/67/41/438836741.db2.gz RJSSNNWDGHWMRP-CQSZACIVSA-N 1 1 331.424 0.571 20 30 ECEDMO N#Cc1ccc(NC(=O)C[NH2+]C2(C(N)=O)CCOCC2)cc1Cl ZINC000595729989 438850776 /nfs/dbraw/zinc/85/07/76/438850776.db2.gz YIKYKBSWCKNBJI-UHFFFAOYSA-N 1 1 336.779 0.774 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)CC1 ZINC000595741147 438854914 /nfs/dbraw/zinc/85/49/14/438854914.db2.gz DSCUGVRYJVPCSG-UIBIWLFHSA-N 1 1 336.480 0.627 20 30 ECEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CCC#N)CC2)[C@H](C)C1 ZINC000601465475 438905057 /nfs/dbraw/zinc/90/50/57/438905057.db2.gz TVRWDXBDPMWNEE-HZPDHXFCSA-N 1 1 349.479 0.233 20 30 ECEDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000595827910 438866994 /nfs/dbraw/zinc/86/69/94/438866994.db2.gz RVLJASAMHDNGTP-HZPDHXFCSA-N 1 1 346.431 0.986 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC(=O)N1CC[NH+](CC)CC1 ZINC000565029978 438907679 /nfs/dbraw/zinc/90/76/79/438907679.db2.gz PASJANXKYKWSMG-UHFFFAOYSA-N 1 1 332.404 0.540 20 30 ECEDMO C[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000589330173 438869250 /nfs/dbraw/zinc/86/92/50/438869250.db2.gz XPJPOFSKERSKTN-CYBMUJFWSA-N 1 1 336.417 0.047 20 30 ECEDMO N#Cc1cnn2c1NC[C@H](C[N@H+](CCC(F)(F)F)C[C@H](O)CO)C2 ZINC000577871610 438877909 /nfs/dbraw/zinc/87/79/09/438877909.db2.gz QKYGVVHWGXDBBE-PWSUYJOCSA-N 1 1 347.341 0.404 20 30 ECEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 ZINC000601470284 438908326 /nfs/dbraw/zinc/90/83/26/438908326.db2.gz FLUBVIJAFPSLBG-MRXNPFEDSA-N 1 1 349.479 0.235 20 30 ECEDMO N#Cc1ccc([C@@H]([NH2+]CCN2C[C@@H]3CCCCN3C2=O)C(N)=O)cc1 ZINC000596048345 438919146 /nfs/dbraw/zinc/91/91/46/438919146.db2.gz UTLZXOZRKWKZMU-JKSUJKDBSA-N 1 1 341.415 0.964 20 30 ECEDMO N#CCC1(CS(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000590754910 438955211 /nfs/dbraw/zinc/95/52/11/438955211.db2.gz ZAAYDQYRCBZOKL-UONOGXRCSA-N 1 1 327.450 0.541 20 30 ECEDMO CC(C)N(CCCNC(=O)C[NH2+][C@H]1CCC[C@H]1C#N)S(C)(=O)=O ZINC000459462388 438966086 /nfs/dbraw/zinc/96/60/86/438966086.db2.gz JMRRUZPZRCKKIQ-KBPBESRZSA-N 1 1 344.481 0.445 20 30 ECEDMO N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000602046047 439002664 /nfs/dbraw/zinc/00/26/64/439002664.db2.gz FXLARSAQZBKZOE-JKSUJKDBSA-N 1 1 341.415 0.465 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602048444 439003245 /nfs/dbraw/zinc/00/32/45/439003245.db2.gz MNZHMFBKVFNMMV-UHFFFAOYSA-N 1 1 349.410 0.636 20 30 ECEDMO CN(CCCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)CC[NH+](C)C ZINC000602048444 439003250 /nfs/dbraw/zinc/00/32/50/439003250.db2.gz MNZHMFBKVFNMMV-UHFFFAOYSA-N 1 1 349.410 0.636 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000602119971 439015181 /nfs/dbraw/zinc/01/51/81/439015181.db2.gz PYCKUMNCYCGQBU-KBPBESRZSA-N 1 1 328.420 0.727 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000579615480 439025719 /nfs/dbraw/zinc/02/57/19/439025719.db2.gz JHMOMINXTKRKCF-AWEZNQCLSA-N 1 1 344.481 0.652 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000579615480 439025724 /nfs/dbraw/zinc/02/57/24/439025724.db2.gz JHMOMINXTKRKCF-AWEZNQCLSA-N 1 1 344.481 0.652 20 30 ECEDMO N#C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000602157428 439026083 /nfs/dbraw/zinc/02/60/83/439026083.db2.gz FCWIMWHNLXGYMU-SOLBZPMBSA-N 1 1 329.400 0.526 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000597329900 439078836 /nfs/dbraw/zinc/07/88/36/439078836.db2.gz VVZDLHVJMPZMJI-UKRRQHHQSA-N 1 1 339.436 0.553 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000567703150 439166480 /nfs/dbraw/zinc/16/64/80/439166480.db2.gz HJOSWJZFLNDRGP-MQVJKMGUSA-N 1 1 349.479 0.241 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000567709855 439166513 /nfs/dbraw/zinc/16/65/13/439166513.db2.gz AYJMXLWUSSUXKE-OAHLLOKOSA-N 1 1 342.403 0.679 20 30 ECEDMO N#CC[C@]1(O)CC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000592148037 439166547 /nfs/dbraw/zinc/16/65/47/439166547.db2.gz VNDKCZKLUSVWLA-KRWDZBQOSA-N 1 1 330.388 0.753 20 30 ECEDMO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000597625569 439140667 /nfs/dbraw/zinc/14/06/67/439140667.db2.gz PJPRODITLMVKDD-GOEBONIOSA-N 1 1 328.416 0.832 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c1C#N ZINC000487448320 439148730 /nfs/dbraw/zinc/14/87/30/439148730.db2.gz ZXFULLVBLINAOY-DOMZBBRYSA-N 1 1 330.436 0.447 20 30 ECEDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000602900270 439154921 /nfs/dbraw/zinc/15/49/21/439154921.db2.gz SFOHPMVGJDBWRT-SOLBZPMBSA-N 1 1 329.400 0.871 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](Cn3ccnn3)C2)cc1 ZINC000602909301 439157079 /nfs/dbraw/zinc/15/70/79/439157079.db2.gz SNIOJKRNSLLAAE-INIZCTEOSA-N 1 1 340.387 0.879 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](Cn3ccnn3)C2)cc1 ZINC000602909301 439157082 /nfs/dbraw/zinc/15/70/82/439157082.db2.gz SNIOJKRNSLLAAE-INIZCTEOSA-N 1 1 340.387 0.879 20 30 ECEDMO N#Cc1ccc(NCC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)nc1 ZINC000597707746 439164527 /nfs/dbraw/zinc/16/45/27/439164527.db2.gz QYALEFUDKZQUIZ-HNNXBMFYSA-N 1 1 329.404 0.688 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)Cn1cc(COc2cccc(C#N)c2)nn1 ZINC000603258181 439220016 /nfs/dbraw/zinc/22/00/16/439220016.db2.gz GCZNRMHGZDEZRZ-INIZCTEOSA-N 1 1 345.403 0.668 20 30 ECEDMO N#CC1(NC(=O)C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)CCC1 ZINC000525885733 439223871 /nfs/dbraw/zinc/22/38/71/439223871.db2.gz MVLYLENCUDZXRU-UHFFFAOYSA-N 1 1 346.353 0.939 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)nn1CCC#N ZINC000488617522 439192275 /nfs/dbraw/zinc/19/22/75/439192275.db2.gz FWGWOINKMLRUOT-AWEZNQCLSA-N 1 1 346.435 0.842 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)nn1CCC#N ZINC000488617522 439192280 /nfs/dbraw/zinc/19/22/80/439192280.db2.gz FWGWOINKMLRUOT-AWEZNQCLSA-N 1 1 346.435 0.842 20 30 ECEDMO N#CCc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000592335595 439206191 /nfs/dbraw/zinc/20/61/91/439206191.db2.gz ZVRDIDOQWSUKRH-QGZVFWFLSA-N 1 1 340.427 0.969 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)n(CCC#N)n1 ZINC000526111760 439237997 /nfs/dbraw/zinc/23/79/97/439237997.db2.gz POTBZFCSJJYRQY-AWEZNQCLSA-N 1 1 346.435 0.844 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000581714618 439245445 /nfs/dbraw/zinc/24/54/45/439245445.db2.gz VITGARKNURRBFV-OCCSQVGLSA-N 1 1 332.408 0.358 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000581714618 439245450 /nfs/dbraw/zinc/24/54/50/439245450.db2.gz VITGARKNURRBFV-OCCSQVGLSA-N 1 1 332.408 0.358 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000490674687 439284230 /nfs/dbraw/zinc/28/42/30/439284230.db2.gz CLQSVJHTCWCZSG-DZGCQCFKSA-N 1 1 349.456 0.811 20 30 ECEDMO Cc1nn(C)c(N2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)c1C#N ZINC000528478343 439338737 /nfs/dbraw/zinc/33/87/37/439338737.db2.gz ZBCDCZGXIOLRBY-CQSZACIVSA-N 1 1 333.436 0.388 20 30 ECEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000491125384 439334325 /nfs/dbraw/zinc/33/43/25/439334325.db2.gz DSBZSDMOIYFLDY-GFCCVEGCSA-N 1 1 349.456 0.955 20 30 ECEDMO C#CC(C)(C)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000491125384 439334329 /nfs/dbraw/zinc/33/43/29/439334329.db2.gz DSBZSDMOIYFLDY-GFCCVEGCSA-N 1 1 349.456 0.955 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000491125874 439335269 /nfs/dbraw/zinc/33/52/69/439335269.db2.gz IBUFFOUUXAMTLD-UHFFFAOYSA-N 1 1 336.323 0.744 20 30 ECEDMO C#CC[N@@H+](CC#CC)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000490715661 439289688 /nfs/dbraw/zinc/28/96/88/439289688.db2.gz YRSRYJOITGQNHQ-UHFFFAOYSA-N 1 1 325.416 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000490875411 439306989 /nfs/dbraw/zinc/30/69/89/439306989.db2.gz PYYUIPDPEJGYME-KFWWJZLASA-N 1 1 332.400 0.802 20 30 ECEDMO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598728638 439307272 /nfs/dbraw/zinc/30/72/72/439307272.db2.gz DTYWLDBIUYIEBV-ZBFHGGJFSA-N 1 1 337.445 0.452 20 30 ECEDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CC#CCN1C(=O)c2ccccc2C1=O ZINC000528492928 439342325 /nfs/dbraw/zinc/34/23/25/439342325.db2.gz GTDDNCVWTMBRSC-HZPDHXFCSA-N 1 1 337.379 0.496 20 30 ECEDMO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CC#CCN1C(=O)c2ccccc2C1=O ZINC000528492928 439342331 /nfs/dbraw/zinc/34/23/31/439342331.db2.gz GTDDNCVWTMBRSC-HZPDHXFCSA-N 1 1 337.379 0.496 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cncc(C(=O)OC)c1 ZINC000491166339 439342977 /nfs/dbraw/zinc/34/29/77/439342977.db2.gz RGTDOEPRFWFVLP-UHFFFAOYSA-N 1 1 325.390 0.102 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000491337786 439367863 /nfs/dbraw/zinc/36/78/63/439367863.db2.gz CSAFWWZQSVEQCN-UHFFFAOYSA-N 1 1 337.464 0.675 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000491385369 439375089 /nfs/dbraw/zinc/37/50/89/439375089.db2.gz RGKXWVHPBYPGTO-UHFFFAOYSA-N 1 1 329.466 0.456 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](C[C@H](O)c2ccc(F)cc2C)CC1 ZINC000491475465 439390324 /nfs/dbraw/zinc/39/03/24/439390324.db2.gz XBMQPKZYUPSVPR-KRWDZBQOSA-N 1 1 333.407 0.535 20 30 ECEDMO C#CCNC(=O)CC[N@H+](C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000491626623 439414835 /nfs/dbraw/zinc/41/48/35/439414835.db2.gz ITNAQNDPMDJBGJ-CQSZACIVSA-N 1 1 343.493 0.508 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000583082983 439418398 /nfs/dbraw/zinc/41/83/98/439418398.db2.gz WKAGNKMNXBOVDO-GUYCJALGSA-N 1 1 340.427 0.968 20 30 ECEDMO C#CCN(C)C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000491731495 439437149 /nfs/dbraw/zinc/43/71/49/439437149.db2.gz MCXMCSXCBNEJKS-QGZVFWFLSA-N 1 1 327.428 0.853 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000491812906 439455900 /nfs/dbraw/zinc/45/59/00/439455900.db2.gz PDYJBKTUTOCKHM-IAGOWNOFSA-N 1 1 347.463 0.973 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000491765778 439444259 /nfs/dbraw/zinc/44/42/59/439444259.db2.gz FKYQFTDLIIYRBM-AWEZNQCLSA-N 1 1 344.481 0.053 20 30 ECEDMO C[C@@H](C[S@@](C)=O)[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599361792 439447536 /nfs/dbraw/zinc/44/75/36/439447536.db2.gz KWOUPZUHBFNYFH-ZAMGYDSWSA-N 1 1 332.425 0.985 20 30 ECEDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599361792 439447542 /nfs/dbraw/zinc/44/75/42/439447542.db2.gz KWOUPZUHBFNYFH-ZAMGYDSWSA-N 1 1 332.425 0.985 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000593854868 439479267 /nfs/dbraw/zinc/47/92/67/439479267.db2.gz LMDKHIZYLNPTFG-QZTJIDSGSA-N 1 1 340.427 0.804 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000593854868 439479272 /nfs/dbraw/zinc/47/92/72/439479272.db2.gz LMDKHIZYLNPTFG-QZTJIDSGSA-N 1 1 340.427 0.804 20 30 ECEDMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 ZINC000533320803 439525534 /nfs/dbraw/zinc/52/55/34/439525534.db2.gz XCBYUOIYEOWGJG-AWEZNQCLSA-N 1 1 346.435 0.892 20 30 ECEDMO COCC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000609280332 439561115 /nfs/dbraw/zinc/56/11/15/439561115.db2.gz AWFANFZVJASMDD-MRXNPFEDSA-N 1 1 344.415 0.515 20 30 ECEDMO CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1(C#N)CCC1 ZINC000609516558 439574091 /nfs/dbraw/zinc/57/40/91/439574091.db2.gz UARSSRICQNVIGG-HNNXBMFYSA-N 1 1 348.447 0.604 20 30 ECEDMO N#C[C@@H]1N(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCC[C@@]12CCCCO2 ZINC000573416593 439644578 /nfs/dbraw/zinc/64/45/78/439644578.db2.gz LKXJOSVHXIJRJT-BQFCYCMXSA-N 1 1 332.448 0.830 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)nn1CCC#N ZINC000595075234 439652162 /nfs/dbraw/zinc/65/21/62/439652162.db2.gz XNVZVFWULICFHG-CYBMUJFWSA-N 1 1 346.435 1.033 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)c1cccc(C#N)c1 ZINC000587718982 439669099 /nfs/dbraw/zinc/66/90/99/439669099.db2.gz PEVPNLMGMUSXKY-ZDUSSCGKSA-N 1 1 346.456 0.900 20 30 ECEDMO CN1CCN(c2ncccc2CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000573840648 439669703 /nfs/dbraw/zinc/66/97/03/439669703.db2.gz VVMYZJOMQGFZGL-HNNXBMFYSA-N 1 1 330.436 0.471 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCN(C3CCC3)C2=O)nc1 ZINC000600760499 439700936 /nfs/dbraw/zinc/70/09/36/439700936.db2.gz KHUAIEDOPUCQJA-CQSZACIVSA-N 1 1 348.428 0.470 20 30 ECEDMO C[C@](O)(C[C@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)C1CC1 ZINC000600847223 439710222 /nfs/dbraw/zinc/71/02/22/439710222.db2.gz YAAKZPDYGDSYTR-WMZOPIPTSA-N 1 1 330.432 0.987 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)C[C@](C)(O)C1CC1 ZINC000600846886 439710433 /nfs/dbraw/zinc/71/04/33/439710433.db2.gz UIJQVCKCHIPEKO-SIIHOXLZSA-N 1 1 345.447 0.771 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)C[C@](C)(O)C1CC1 ZINC000600846886 439710440 /nfs/dbraw/zinc/71/04/40/439710440.db2.gz UIJQVCKCHIPEKO-SIIHOXLZSA-N 1 1 345.447 0.771 20 30 ECEDMO N#CCc1cccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595383281 439718202 /nfs/dbraw/zinc/71/82/02/439718202.db2.gz BRXBAXYMURWADO-INIZCTEOSA-N 1 1 349.456 0.972 20 30 ECEDMO Cn1cc[nH+]c1Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O ZINC000600604149 439679048 /nfs/dbraw/zinc/67/90/48/439679048.db2.gz DPQJURNTYXOHJB-UHFFFAOYSA-N 1 1 345.359 0.005 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000595500501 439735230 /nfs/dbraw/zinc/73/52/30/439735230.db2.gz RQHNQVDSEBSWDN-TZMCWYRMSA-N 1 1 349.435 0.614 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1O ZINC000615431316 439800501 /nfs/dbraw/zinc/80/05/01/439800501.db2.gz FJFLHSJVWXIMAI-OAHLLOKOSA-N 1 1 342.399 0.818 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000646915625 439931310 /nfs/dbraw/zinc/93/13/10/439931310.db2.gz RLNKHMVMQDIBES-HOCLYGCPSA-N 1 1 349.456 0.927 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000648721507 440313152 /nfs/dbraw/zinc/31/31/52/440313152.db2.gz SRUGRNPWGQXEMG-OAHLLOKOSA-N 1 1 347.463 0.843 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000649188937 440410575 /nfs/dbraw/zinc/41/05/75/440410575.db2.gz VRXYFDBWISIXQB-GOSISDBHSA-N 1 1 329.444 0.695 20 30 ECEDMO COCC#CC[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000649822183 440549932 /nfs/dbraw/zinc/54/99/32/440549932.db2.gz MBWRWIFUQFNGJP-UHFFFAOYSA-N 1 1 325.434 0.352 20 30 ECEDMO C=CC[C@H]1CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639798567 440793130 /nfs/dbraw/zinc/79/31/30/440793130.db2.gz HYRKLWLEAYPXOQ-AWEZNQCLSA-N 1 1 343.493 0.815 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000186908008 320537508 /nfs/dbraw/zinc/53/75/08/320537508.db2.gz OIICZRWSVJUWBS-UHFFFAOYSA-N 1 1 340.427 0.870 20 30 ECEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@@H](C)C1 ZINC000562337082 322270443 /nfs/dbraw/zinc/27/04/43/322270443.db2.gz KKKQJXUVFVRBHH-MJBXVCDLSA-N 1 1 331.424 0.521 20 30 ECEDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564085262 322361437 /nfs/dbraw/zinc/36/14/37/322361437.db2.gz JWAAYUMXMOYPBO-BBRMVZONSA-N 1 1 326.404 0.896 20 30 ECEDMO CCOC(=O)C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000565363527 322452026 /nfs/dbraw/zinc/45/20/26/322452026.db2.gz IHAAOPFOWQPOPF-CYBMUJFWSA-N 1 1 340.401 0.236 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2OCC(C)C)C1 ZINC001078023705 782159997 /nfs/dbraw/zinc/15/99/97/782159997.db2.gz JJRJDAUTBRCQGC-HZPDHXFCSA-N 1 1 331.416 0.915 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2OCC(C)C)C1 ZINC001078023705 782160003 /nfs/dbraw/zinc/16/00/03/782160003.db2.gz JJRJDAUTBRCQGC-HZPDHXFCSA-N 1 1 331.416 0.915 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000025302325 545659502 /nfs/dbraw/zinc/65/95/02/545659502.db2.gz NSXOXDLNVUOHMX-KRWDZBQOSA-N 1 1 347.459 0.655 20 30 ECEDMO CS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000328665999 546003618 /nfs/dbraw/zinc/00/36/18/546003618.db2.gz ZQOALSNUFKTBAP-LBPRGKRZSA-N 1 1 344.481 0.398 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)[N@H+](C)C1 ZINC000329114515 546014511 /nfs/dbraw/zinc/01/45/11/546014511.db2.gz HUMUZFILXOOPFW-AVGNSLFASA-N 1 1 335.408 0.591 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)[N@@H+](C)C1 ZINC000329114515 546014516 /nfs/dbraw/zinc/01/45/16/546014516.db2.gz HUMUZFILXOOPFW-AVGNSLFASA-N 1 1 335.408 0.591 20 30 ECEDMO C[C@H](O)CN1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@@H](C)C1 ZINC000329280675 546019274 /nfs/dbraw/zinc/01/92/74/546019274.db2.gz MEGKAVUFWGLGLF-OFQRWUPVSA-N 1 1 344.525 0.725 20 30 ECEDMO CC[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)CC2)CC[N@@H+]1CCOC ZINC000410430232 546199612 /nfs/dbraw/zinc/19/96/12/546199612.db2.gz FEWTXAUJTBYJCG-OAHLLOKOSA-N 1 1 336.436 0.318 20 30 ECEDMO CC[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)CC2)CC[N@H+]1CCOC ZINC000410430232 546199619 /nfs/dbraw/zinc/19/96/19/546199619.db2.gz FEWTXAUJTBYJCG-OAHLLOKOSA-N 1 1 336.436 0.318 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000619709490 546359766 /nfs/dbraw/zinc/35/97/66/546359766.db2.gz WGPVVKQVQGQMGD-ZIAGYGMSSA-N 1 1 332.470 0.413 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H]1C ZINC000619710804 546360914 /nfs/dbraw/zinc/36/09/14/546360914.db2.gz WCFBBMSVWBVFOZ-MELADBBJSA-N 1 1 330.454 0.260 20 30 ECEDMO C[C@H]1CC(=O)NCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625274835 547059428 /nfs/dbraw/zinc/05/94/28/547059428.db2.gz JVAMFXOVUVECGG-ZDUSSCGKSA-N 1 1 325.368 0.496 20 30 ECEDMO C[C@H]1CC(=O)NCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625274835 547059431 /nfs/dbraw/zinc/05/94/31/547059431.db2.gz JVAMFXOVUVECGG-ZDUSSCGKSA-N 1 1 325.368 0.496 20 30 ECEDMO C[C@H]1OCC[C@H]1[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCO ZINC000625386349 547086222 /nfs/dbraw/zinc/08/62/22/547086222.db2.gz BBGLUJXGQFPFOL-RHSMWYFYSA-N 1 1 342.395 0.758 20 30 ECEDMO C=C[C@@](C)(O)C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000668487488 547665597 /nfs/dbraw/zinc/66/55/97/547665597.db2.gz ZDAMZVJUHBFCRK-GOSISDBHSA-N 1 1 337.464 0.716 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1O ZINC001078027982 782171210 /nfs/dbraw/zinc/17/12/10/782171210.db2.gz SIHPRHJGNSEFLV-FVQBIDKESA-N 1 1 331.416 0.915 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1O ZINC001078027983 782170528 /nfs/dbraw/zinc/17/05/28/782170528.db2.gz SIHPRHJGNSEFLV-NUEKZKHPSA-N 1 1 331.416 0.915 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2Cc3ccccc3C2=O)C1 ZINC001078029122 782172451 /nfs/dbraw/zinc/17/24/51/782172451.db2.gz LRRXORJNDKJZRN-IAGOWNOFSA-N 1 1 343.427 0.770 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ncccc3C)C[C@H]2O)cn1 ZINC001078032409 782179464 /nfs/dbraw/zinc/17/94/64/782179464.db2.gz MNLIGXBUNVCAKV-QZTJIDSGSA-N 1 1 336.395 0.741 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@H]2O)cn1 ZINC001078032409 782179471 /nfs/dbraw/zinc/17/94/71/782179471.db2.gz MNLIGXBUNVCAKV-QZTJIDSGSA-N 1 1 336.395 0.741 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)cn1 ZINC001078032583 782180868 /nfs/dbraw/zinc/18/08/68/782180868.db2.gz VWBQBXPUPATSFA-IAGOWNOFSA-N 1 1 329.400 0.407 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)cn1 ZINC001078032583 782180875 /nfs/dbraw/zinc/18/08/75/782180875.db2.gz VWBQBXPUPATSFA-IAGOWNOFSA-N 1 1 329.400 0.407 20 30 ECEDMO CN1CCc2cc(C=[NH+]NC(=S)NCCN3CCOCC3)ccc21 ZINC000752718999 579389624 /nfs/dbraw/zinc/38/96/24/579389624.db2.gz OOHVWYLHCSVIPK-UHFFFAOYSA-N 1 1 347.488 0.809 20 30 ECEDMO C#CCOCCC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000755815937 579439608 /nfs/dbraw/zinc/43/96/08/579439608.db2.gz WKXSNAAYLNLJTN-UHFFFAOYSA-N 1 1 330.432 0.750 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000757577363 579462124 /nfs/dbraw/zinc/46/21/24/579462124.db2.gz ZRYYXWAEXQFSJT-LBPRGKRZSA-N 1 1 333.461 0.847 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000757577363 579462125 /nfs/dbraw/zinc/46/21/25/579462125.db2.gz ZRYYXWAEXQFSJT-LBPRGKRZSA-N 1 1 333.461 0.847 20 30 ECEDMO C#CCNC(=S)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000758192925 579468399 /nfs/dbraw/zinc/46/83/99/579468399.db2.gz QPXBCKOTFVTZGY-UHFFFAOYSA-N 1 1 330.457 0.672 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)OC ZINC000759931176 579500929 /nfs/dbraw/zinc/50/09/29/579500929.db2.gz CUDJVYVILVEQDP-JKSUJKDBSA-N 1 1 348.374 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)OC ZINC000759931176 579500931 /nfs/dbraw/zinc/50/09/31/579500931.db2.gz CUDJVYVILVEQDP-JKSUJKDBSA-N 1 1 348.374 0.960 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000729526858 578296828 /nfs/dbraw/zinc/29/68/28/578296828.db2.gz INXZWIZWVIQJDM-UHFFFAOYSA-N 1 1 335.429 0.044 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000730096273 578303317 /nfs/dbraw/zinc/30/33/17/578303317.db2.gz LPDBWDQABYVHPX-INIZCTEOSA-N 1 1 349.456 0.450 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000730096273 578303318 /nfs/dbraw/zinc/30/33/18/578303318.db2.gz LPDBWDQABYVHPX-INIZCTEOSA-N 1 1 349.456 0.450 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000732305929 578322902 /nfs/dbraw/zinc/32/29/02/578322902.db2.gz IFWNNFAKPHAZOF-UHFFFAOYSA-N 1 1 344.415 0.364 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000793914865 578566295 /nfs/dbraw/zinc/56/62/95/578566295.db2.gz VQWSRQYDBOSBQJ-PMPSAXMXSA-N 1 1 349.475 0.910 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000799071128 578656903 /nfs/dbraw/zinc/65/69/03/578656903.db2.gz ZCGJWFFTOVPKFP-MSOLQXFVSA-N 1 1 329.444 0.866 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1=O ZINC000780494941 578695119 /nfs/dbraw/zinc/69/51/19/578695119.db2.gz FXAKWKJXOVALSA-OAHLLOKOSA-N 1 1 348.447 0.869 20 30 ECEDMO N#Cc1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC000780651869 578698496 /nfs/dbraw/zinc/69/84/96/578698496.db2.gz GNWJMJHQPVZEEC-INIZCTEOSA-N 1 1 329.404 0.959 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000787347129 578805476 /nfs/dbraw/zinc/80/54/76/578805476.db2.gz WHRSJYUYKCABPS-CVEARBPZSA-N 1 1 342.399 0.154 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788563442 578839974 /nfs/dbraw/zinc/83/99/74/578839974.db2.gz PSKSWPYWEBTBFL-MNOVXSKESA-N 1 1 330.226 0.754 20 30 ECEDMO C[C@H](C[NH+]1CCOCC1)N(C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000788379099 578835587 /nfs/dbraw/zinc/83/55/87/578835587.db2.gz TVJMUXBBSYJMEC-CQSZACIVSA-N 1 1 330.432 0.819 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNC2=NC(=O)C(=O)N2)c1C ZINC000765595816 579069738 /nfs/dbraw/zinc/06/97/38/579069738.db2.gz PKAFMECBKVMPKV-CQSZACIVSA-N 1 1 344.419 0.525 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@@H](C3CC3)C2)c1=O ZINC000763330165 579558717 /nfs/dbraw/zinc/55/87/17/579558717.db2.gz BYSWHHNOZJWLSV-CQSZACIVSA-N 1 1 332.404 0.233 20 30 ECEDMO CC(=NNS(C)(=O)=O)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000764701018 579579401 /nfs/dbraw/zinc/57/94/01/579579401.db2.gz WIXKDDKPPGKKIQ-UHFFFAOYSA-N 1 1 327.406 0.498 20 30 ECEDMO O=C(CCNC(=O)C1N=CC=CC1=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000746238667 579834126 /nfs/dbraw/zinc/83/41/26/579834126.db2.gz RHGUZQJFUJXCQC-WPCFGXOUSA-N 1 1 332.404 0.503 20 30 ECEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000746423224 579838916 /nfs/dbraw/zinc/83/89/16/579838916.db2.gz UMSXESYYWINPHQ-ZDUSSCGKSA-N 1 1 332.408 0.535 20 30 ECEDMO Cc1c(C[NH2+][C@H]2CCCN(O)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000895165120 586167415 /nfs/dbraw/zinc/16/74/15/586167415.db2.gz IJBMOWHGHSTXAX-HNNXBMFYSA-N 1 1 330.388 0.954 20 30 ECEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1Cl ZINC000895314247 586175380 /nfs/dbraw/zinc/17/53/80/586175380.db2.gz KHKBWTVEKWPUDY-TXEJJXNPSA-N 1 1 337.807 0.923 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)c1 ZINC000888984001 586250548 /nfs/dbraw/zinc/25/05/48/586250548.db2.gz YZJLLSJYSWJVMO-UHFFFAOYSA-N 1 1 329.448 0.944 20 30 ECEDMO C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896546280 586250730 /nfs/dbraw/zinc/25/07/30/586250730.db2.gz UUVVSPBZRAIQCA-QGTPRVQTSA-N 1 1 339.443 0.991 20 30 ECEDMO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@]1(OC)CCS(=O)(=O)C1 ZINC000892862791 586296931 /nfs/dbraw/zinc/29/69/31/586296931.db2.gz GVNKNZGKSWXHRO-UKRRQHHQSA-N 1 1 331.434 0.467 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(C(=O)NCCNC(=O)C3N=CC=CC3=O)C[C@]2(C)C1 ZINC000892943644 586302529 /nfs/dbraw/zinc/30/25/29/586302529.db2.gz WROMEKKVGOXKKH-WQOJIXRVSA-N 1 1 347.419 0.106 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCO[C@](C)(C#N)C3)C2)CC1 ZINC000893022429 586305836 /nfs/dbraw/zinc/30/58/36/586305836.db2.gz LNGJRNLLPBRBAT-RHSMWYFYSA-N 1 1 335.452 0.479 20 30 ECEDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCO[C@](C)(C#N)C3)C2)CC1 ZINC000893022429 586305838 /nfs/dbraw/zinc/30/58/38/586305838.db2.gz LNGJRNLLPBRBAT-RHSMWYFYSA-N 1 1 335.452 0.479 20 30 ECEDMO C=CCN(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000900309577 586537706 /nfs/dbraw/zinc/53/77/06/586537706.db2.gz FWBHAUBSUKHARK-HIFRSBDPSA-N 1 1 330.450 0.035 20 30 ECEDMO C=CCN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000900309577 586537707 /nfs/dbraw/zinc/53/77/07/586537707.db2.gz FWBHAUBSUKHARK-HIFRSBDPSA-N 1 1 330.450 0.035 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C#N ZINC000806041353 586953983 /nfs/dbraw/zinc/95/39/83/586953983.db2.gz VZQCQSCQTVQIRU-DOMZBBRYSA-N 1 1 344.415 0.782 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC[N@H+]1C ZINC000806042014 586954212 /nfs/dbraw/zinc/95/42/12/586954212.db2.gz NHHKQPMJJBSTHV-TZMCWYRMSA-N 1 1 344.419 0.080 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000907065737 587011276 /nfs/dbraw/zinc/01/12/76/587011276.db2.gz KYXWAWPPZRPAFP-UHFFFAOYSA-N 1 1 332.389 0.198 20 30 ECEDMO C[C@@H](OC(=O)CCCC[NH+]1CCOCC1)C(=O)NC1(C#N)CCC1 ZINC000803513809 587062853 /nfs/dbraw/zinc/06/28/53/587062853.db2.gz VLPWROJOFDBYMA-CQSZACIVSA-N 1 1 337.420 0.983 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[C@H]1CCCO1 ZINC000803563699 587063438 /nfs/dbraw/zinc/06/34/38/587063438.db2.gz BKXTWACRQKSZSC-OWCLPIDISA-N 1 1 335.448 0.520 20 30 ECEDMO C=CCN1CCN(C[N@H+]2C[C@@H](OC)C[C@H]2CC(=O)OCC)C1=O ZINC000840047764 587085488 /nfs/dbraw/zinc/08/54/88/587085488.db2.gz MRXCKCVALWKYKH-KBPBESRZSA-N 1 1 325.409 0.910 20 30 ECEDMO C=CCN1CCN(C[N@@H+]2C[C@@H](OC)C[C@H]2CC(=O)OCC)C1=O ZINC000840047764 587085490 /nfs/dbraw/zinc/08/54/90/587085490.db2.gz MRXCKCVALWKYKH-KBPBESRZSA-N 1 1 325.409 0.910 20 30 ECEDMO CCCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@@H+](C)C1 ZINC000843992177 589085982 /nfs/dbraw/zinc/08/59/82/589085982.db2.gz PFBKBHWQRRVQCI-VLUKHXRESA-N 1 1 334.420 0.846 20 30 ECEDMO N#CCOc1cccc(CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1 ZINC000808160377 587146351 /nfs/dbraw/zinc/14/63/51/587146351.db2.gz KRYNHZLQOSLIMX-HOTGVXAUSA-N 1 1 329.400 0.799 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCCO1 ZINC000808836052 587162066 /nfs/dbraw/zinc/16/20/66/587162066.db2.gz YGJGECHDXKSPHL-ULQDDVLXSA-N 1 1 349.475 0.768 20 30 ECEDMO C=CCN1CCN(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)C1=O ZINC000840175932 587177883 /nfs/dbraw/zinc/17/78/83/587177883.db2.gz BFTCGMVBYKSODB-SFHVURJKSA-N 1 1 328.416 0.997 20 30 ECEDMO COC(=O)CC[C@@]1(C)NC(=O)N(C[NH+]2CCC(CC#N)CC2)C1=O ZINC000811762147 587225908 /nfs/dbraw/zinc/22/59/08/587225908.db2.gz PTMFTTZJZGACEU-MRXNPFEDSA-N 1 1 336.392 0.833 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCCOCCC#N)CC1=O ZINC000815239870 587284538 /nfs/dbraw/zinc/28/45/38/587284538.db2.gz UNEKVNWWNZGJOB-CABCVRRESA-N 1 1 337.420 0.793 20 30 ECEDMO C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)[C@@H]2C1 ZINC000815703500 587296563 /nfs/dbraw/zinc/29/65/63/587296563.db2.gz HCJWWEFBZAHZCL-SWLSCSKDSA-N 1 1 328.372 0.690 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1S(N)(=O)=O ZINC000817267856 587337361 /nfs/dbraw/zinc/33/73/61/587337361.db2.gz QTILGOFNPZDIKB-AWEZNQCLSA-N 1 1 335.429 0.390 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1S(N)(=O)=O ZINC000817267856 587337363 /nfs/dbraw/zinc/33/73/63/587337363.db2.gz QTILGOFNPZDIKB-AWEZNQCLSA-N 1 1 335.429 0.390 20 30 ECEDMO C#C[C@@H](NC(=O)N1CC[NH+](C(COC)COC)CC1)[C@H]1CCCO1 ZINC000840349486 587386332 /nfs/dbraw/zinc/38/63/32/587386332.db2.gz BUUDVXFDYAGXKC-HZPDHXFCSA-N 1 1 339.436 0.156 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 ZINC000818593121 587439444 /nfs/dbraw/zinc/43/94/44/587439444.db2.gz MTKOHIXPBJQGKO-KRWDZBQOSA-N 1 1 329.400 0.872 20 30 ECEDMO C#CC[N@@H+](CC#CC)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000819697463 587486299 /nfs/dbraw/zinc/48/62/99/587486299.db2.gz FWQWWXIXYLVIAF-HNNXBMFYSA-N 1 1 325.372 0.565 20 30 ECEDMO C#CC[N@H+](CC#CC)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000819697463 587486301 /nfs/dbraw/zinc/48/63/01/587486301.db2.gz FWQWWXIXYLVIAF-HNNXBMFYSA-N 1 1 325.372 0.565 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000823187490 587708448 /nfs/dbraw/zinc/70/84/48/587708448.db2.gz HAQRBZKBZNFIRV-QWRGUYRKSA-N 1 1 340.367 0.281 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000823187490 587708450 /nfs/dbraw/zinc/70/84/50/587708450.db2.gz HAQRBZKBZNFIRV-QWRGUYRKSA-N 1 1 340.367 0.281 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(CC(=O)NOCC[NH+](C)C)s1 ZINC000823254859 587712502 /nfs/dbraw/zinc/71/25/02/587712502.db2.gz GMFHWIYOVWRIBJ-UHFFFAOYSA-N 1 1 347.462 0.364 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000823850572 587746046 /nfs/dbraw/zinc/74/60/46/587746046.db2.gz RRJSTKPPKUNDFA-AWEZNQCLSA-N 1 1 340.387 0.589 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000823850572 587746047 /nfs/dbraw/zinc/74/60/47/587746047.db2.gz RRJSTKPPKUNDFA-AWEZNQCLSA-N 1 1 340.387 0.589 20 30 ECEDMO CON=Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cc1 ZINC000840499590 587975595 /nfs/dbraw/zinc/97/55/95/587975595.db2.gz GFHNWLIQSJXPMQ-HNNXBMFYSA-N 1 1 333.388 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC000829582866 588331096 /nfs/dbraw/zinc/33/10/96/588331096.db2.gz SAEJINIBSWFSSC-BBWFWOEESA-N 1 1 335.448 0.080 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC000829582866 588331098 /nfs/dbraw/zinc/33/10/98/588331098.db2.gz SAEJINIBSWFSSC-BBWFWOEESA-N 1 1 335.448 0.080 20 30 ECEDMO N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000831810413 588451207 /nfs/dbraw/zinc/45/12/07/588451207.db2.gz PCFXTOUJWSOCOO-LBPRGKRZSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000831810413 588451208 /nfs/dbraw/zinc/45/12/08/588451208.db2.gz PCFXTOUJWSOCOO-LBPRGKRZSA-N 1 1 341.408 0.822 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369177 589109494 /nfs/dbraw/zinc/10/94/94/589109494.db2.gz VYJHZDXKJRSIDR-SWLSCSKDSA-N 1 1 330.388 0.924 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369177 589109495 /nfs/dbraw/zinc/10/94/95/589109495.db2.gz VYJHZDXKJRSIDR-SWLSCSKDSA-N 1 1 330.388 0.924 20 30 ECEDMO C#C[C@H]1CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000847025183 589233336 /nfs/dbraw/zinc/23/33/36/589233336.db2.gz NDSSQCUKFVGFQX-HNNXBMFYSA-N 1 1 343.493 0.508 20 30 ECEDMO C#C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1CCCO1 ZINC000849574770 589340842 /nfs/dbraw/zinc/34/08/42/589340842.db2.gz ABHBBXQHFMGCHA-NCOADZHNSA-N 1 1 330.432 0.752 20 30 ECEDMO COC(=O)CCN1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(C#N)c2)C1=O ZINC000852211101 589451096 /nfs/dbraw/zinc/45/10/96/589451096.db2.gz OVDCIQUIENVNJI-JKSUJKDBSA-N 1 1 345.399 0.687 20 30 ECEDMO COC(=O)CCN1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)C1=O ZINC000852211101 589451097 /nfs/dbraw/zinc/45/10/97/589451097.db2.gz OVDCIQUIENVNJI-JKSUJKDBSA-N 1 1 345.399 0.687 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000852357809 589492323 /nfs/dbraw/zinc/49/23/23/589492323.db2.gz HZDURKWIKLOCOB-HNNXBMFYSA-N 1 1 328.416 0.828 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000852431264 589496144 /nfs/dbraw/zinc/49/61/44/589496144.db2.gz AAFPVNFXZZWIOF-OAHLLOKOSA-N 1 1 328.372 0.701 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000852431264 589496145 /nfs/dbraw/zinc/49/61/45/589496145.db2.gz AAFPVNFXZZWIOF-OAHLLOKOSA-N 1 1 328.372 0.701 20 30 ECEDMO COc1cc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1C#N ZINC000852828408 589515729 /nfs/dbraw/zinc/51/57/29/589515729.db2.gz XJJYCOBYIXMJJU-HNNXBMFYSA-N 1 1 342.399 0.603 20 30 ECEDMO C#CCCN(CCOC)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000853743579 589557242 /nfs/dbraw/zinc/55/72/42/589557242.db2.gz RBSUYWXTYJDTRS-INIZCTEOSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CCCN(CCOC)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000853743579 589557243 /nfs/dbraw/zinc/55/72/43/589557243.db2.gz RBSUYWXTYJDTRS-INIZCTEOSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CCOCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000853984723 589566932 /nfs/dbraw/zinc/56/69/32/589566932.db2.gz SZZKNOSUTWRMTM-QGZVFWFLSA-N 1 1 331.416 0.702 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCC1N=NC(=S)N1C1CC1 ZINC000854094556 589571144 /nfs/dbraw/zinc/57/11/44/589571144.db2.gz VRSAZWVHCWXANJ-UHFFFAOYSA-N 1 1 336.465 0.699 20 30 ECEDMO Cn1cc(-c2ccnc(C3CC[NH+](CC(=O)NCC#N)CC3)n2)cn1 ZINC000854102419 589571496 /nfs/dbraw/zinc/57/14/96/589571496.db2.gz IEOZIOICAHVXRW-UHFFFAOYSA-N 1 1 339.403 0.696 20 30 ECEDMO C#CCN(CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)C(=O)OC(C)(C)C ZINC000855026265 589618047 /nfs/dbraw/zinc/61/80/47/589618047.db2.gz ZTIJQMMFQZPQAU-CQSZACIVSA-N 1 1 337.420 0.134 20 30 ECEDMO C#CCN(CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)C(=O)OC(C)(C)C ZINC000855026265 589618048 /nfs/dbraw/zinc/61/80/48/589618048.db2.gz ZTIJQMMFQZPQAU-CQSZACIVSA-N 1 1 337.420 0.134 20 30 ECEDMO N#C[C@@]1(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCCOC1 ZINC000866633302 589754550 /nfs/dbraw/zinc/75/45/50/589754550.db2.gz HJADEWNUTZOLNP-MJGOQNOKSA-N 1 1 343.427 0.842 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000866716374 589762706 /nfs/dbraw/zinc/76/27/06/589762706.db2.gz NAWRDOMSJZQKCS-PBHICJAKSA-N 1 1 334.420 0.072 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000860529104 589779692 /nfs/dbraw/zinc/77/96/92/589779692.db2.gz ABWYBMZXWUANGQ-KBPBESRZSA-N 1 1 330.388 0.414 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000867681458 589824851 /nfs/dbraw/zinc/82/48/51/589824851.db2.gz WZLUXJXCLLOSLN-UHFFFAOYSA-N 1 1 332.470 0.509 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC000861871877 589900305 /nfs/dbraw/zinc/90/03/05/589900305.db2.gz CUXWVJXUFKBTGS-UHFFFAOYSA-N 1 1 346.362 0.716 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000862197698 589931202 /nfs/dbraw/zinc/93/12/02/589931202.db2.gz PNAUVYLSSMTOJT-CQSZACIVSA-N 1 1 341.371 0.669 20 30 ECEDMO CON(C)C(=O)[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000863587869 590026014 /nfs/dbraw/zinc/02/60/14/590026014.db2.gz UDUWUTQCOCLQMA-NSHDSACASA-N 1 1 325.390 0.330 20 30 ECEDMO COC(=O)CCN(CC#N)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000871341561 590060589 /nfs/dbraw/zinc/06/05/89/590060589.db2.gz ZPDPDNOCUYNLJS-GOSISDBHSA-N 1 1 345.399 0.539 20 30 ECEDMO COC(=O)CCN(CC#N)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000871342868 590060787 /nfs/dbraw/zinc/06/07/87/590060787.db2.gz VAJBQUXQFUOEKF-HNNXBMFYSA-N 1 1 330.388 0.961 20 30 ECEDMO COC(=O)CCN(CC#N)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000871342868 590060790 /nfs/dbraw/zinc/06/07/90/590060790.db2.gz VAJBQUXQFUOEKF-HNNXBMFYSA-N 1 1 330.388 0.961 20 30 ECEDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(C)cc1C#N ZINC000871808215 590087780 /nfs/dbraw/zinc/08/77/80/590087780.db2.gz WCOVJIZXBPDTLN-ZDUSSCGKSA-N 1 1 337.401 0.392 20 30 ECEDMO COc1nscc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000872330408 590114921 /nfs/dbraw/zinc/11/49/21/590114921.db2.gz NUXIEBLVJZOVFD-UHFFFAOYSA-N 1 1 343.478 0.672 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000865178367 590129726 /nfs/dbraw/zinc/12/97/26/590129726.db2.gz YXQNGUIZAWNTEY-JKSUJKDBSA-N 1 1 334.464 0.000 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)C[C@H]2C1=O ZINC000872714082 590144402 /nfs/dbraw/zinc/14/44/02/590144402.db2.gz LLVSKSUKQWMPIC-GASCZTMLSA-N 1 1 335.367 0.926 20 30 ECEDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC[C@H]21 ZINC000874172323 590224028 /nfs/dbraw/zinc/22/40/28/590224028.db2.gz JJDLERXUKPOMSH-QWHCGFSZSA-N 1 1 330.392 0.288 20 30 ECEDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000874365761 590235059 /nfs/dbraw/zinc/23/50/59/590235059.db2.gz DFSKVIHPOPWTAE-QWHCGFSZSA-N 1 1 330.392 0.430 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000874382944 590236918 /nfs/dbraw/zinc/23/69/18/590236918.db2.gz OEJCYLDEIIPCEP-UHFFFAOYSA-N 1 1 336.480 0.248 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000875065473 590267129 /nfs/dbraw/zinc/26/71/29/590267129.db2.gz DWMSQJMKYCAPDQ-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C[N@H+]1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCC1(C)C ZINC000875267611 590289014 /nfs/dbraw/zinc/28/90/14/590289014.db2.gz OJRKLHUZBSMTEI-PFONDFGASA-N 1 1 349.435 0.639 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000875599919 590313114 /nfs/dbraw/zinc/31/31/14/590313114.db2.gz URIMWTOJASWUKD-HZPDHXFCSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879482162 590314403 /nfs/dbraw/zinc/31/44/03/590314403.db2.gz OGMJDWCTUCGOIC-CXAGYDPISA-N 1 1 335.404 0.969 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879482162 590314406 /nfs/dbraw/zinc/31/44/06/590314406.db2.gz OGMJDWCTUCGOIC-CXAGYDPISA-N 1 1 335.404 0.969 20 30 ECEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531328 590318356 /nfs/dbraw/zinc/31/83/56/590318356.db2.gz CUHWAWDFHWUTDX-WCFLWFBJSA-N 1 1 326.356 0.432 20 30 ECEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531328 590318359 /nfs/dbraw/zinc/31/83/59/590318359.db2.gz CUHWAWDFHWUTDX-WCFLWFBJSA-N 1 1 326.356 0.432 20 30 ECEDMO Cc1csc(NC(=O)NCC[N@H+](C)CCOCCO)c1C#N ZINC000879566092 590323817 /nfs/dbraw/zinc/32/38/17/590323817.db2.gz ROAWLWDOTCBSER-UHFFFAOYSA-N 1 1 326.422 0.990 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c(OC)c1 ZINC000879613847 590329445 /nfs/dbraw/zinc/32/94/45/590329445.db2.gz HNNYXBBKMWCEBG-XHSDSOJGSA-N 1 1 337.416 0.591 20 30 ECEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879694679 590335061 /nfs/dbraw/zinc/33/50/61/590335061.db2.gz MLHPBJWFAFAMAT-OAGGEKHMSA-N 1 1 331.416 0.854 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000880136044 590370813 /nfs/dbraw/zinc/37/08/13/590370813.db2.gz DRFONAPILBEJIK-SQNIBIBYSA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C)CC1 ZINC000880136044 590370815 /nfs/dbraw/zinc/37/08/15/590370815.db2.gz DRFONAPILBEJIK-SQNIBIBYSA-N 1 1 347.507 0.847 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C)CC1 ZINC000880136044 590370817 /nfs/dbraw/zinc/37/08/17/590370817.db2.gz DRFONAPILBEJIK-SQNIBIBYSA-N 1 1 347.507 0.847 20 30 ECEDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3C#N)C[C@@H]2C1 ZINC000880314261 590383437 /nfs/dbraw/zinc/38/34/37/590383437.db2.gz YACHBZUYQBQTSH-IXDOHACOSA-N 1 1 329.400 0.708 20 30 ECEDMO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876526355 590385267 /nfs/dbraw/zinc/38/52/67/590385267.db2.gz SDHHIENYOCAUEI-QGZVFWFLSA-N 1 1 327.432 0.109 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880527733 590400048 /nfs/dbraw/zinc/40/00/48/590400048.db2.gz UOUYPMLRCYCEDV-UNEWFSDZSA-N 1 1 329.400 0.898 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876751214 590409014 /nfs/dbraw/zinc/40/90/14/590409014.db2.gz MPAOQWIZLPJWCZ-AEFFLSMTSA-N 1 1 342.443 0.972 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876756532 590409939 /nfs/dbraw/zinc/40/99/39/590409939.db2.gz UGNDLONUKOLOAJ-WBVHZDCISA-N 1 1 328.416 0.582 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000888884944 590458326 /nfs/dbraw/zinc/45/83/26/590458326.db2.gz GBQCMBWFWHMKKX-IAGOWNOFSA-N 1 1 336.480 0.884 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC000877593944 590473043 /nfs/dbraw/zinc/47/30/43/590473043.db2.gz KCFUZTRHBGOPJN-INIZCTEOSA-N 1 1 344.415 0.878 20 30 ECEDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC000877593944 590473046 /nfs/dbraw/zinc/47/30/46/590473046.db2.gz KCFUZTRHBGOPJN-INIZCTEOSA-N 1 1 344.415 0.878 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000877892971 590485302 /nfs/dbraw/zinc/48/53/02/590485302.db2.gz IRKKCYOATGOMAN-MRXNPFEDSA-N 1 1 337.464 0.634 20 30 ECEDMO C#CCCCS(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000882617616 590564117 /nfs/dbraw/zinc/56/41/17/590564117.db2.gz IVVAJCBUCOMKJP-UHFFFAOYSA-N 1 1 341.477 0.535 20 30 ECEDMO C#CCC1(O)CCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000883075442 590603778 /nfs/dbraw/zinc/60/37/78/590603778.db2.gz BUMBHLYCJQNRLL-INIZCTEOSA-N 1 1 337.464 0.903 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000028792829 590663889 /nfs/dbraw/zinc/66/38/89/590663889.db2.gz ONYHVOCMTOEIQS-UHFFFAOYSA-N 1 1 333.388 0.541 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2cccs2)C1 ZINC000884080032 590734306 /nfs/dbraw/zinc/73/43/06/590734306.db2.gz IMFAANKVQISBRZ-CYBMUJFWSA-N 1 1 334.445 0.875 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2cccs2)C1 ZINC000884080032 590734311 /nfs/dbraw/zinc/73/43/11/590734311.db2.gz IMFAANKVQISBRZ-CYBMUJFWSA-N 1 1 334.445 0.875 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000884137499 590752308 /nfs/dbraw/zinc/75/23/08/590752308.db2.gz NTNACUMLUGIEMY-MRXNPFEDSA-N 1 1 346.406 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000884137499 590752312 /nfs/dbraw/zinc/75/23/12/590752312.db2.gz NTNACUMLUGIEMY-MRXNPFEDSA-N 1 1 346.406 0.952 20 30 ECEDMO CC(C)CN1CCO[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884180233 590764919 /nfs/dbraw/zinc/76/49/19/590764919.db2.gz QQGCOUJKVXVMDO-LPMVOBIJSA-N 1 1 334.464 0.599 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000885879493 590775866 /nfs/dbraw/zinc/77/58/66/590775866.db2.gz IFBJOHXXRKVEGN-IRXDYDNUSA-N 1 1 329.400 0.961 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000884224891 590781888 /nfs/dbraw/zinc/78/18/88/590781888.db2.gz BRVBAFPQXJAMPA-AWEZNQCLSA-N 1 1 327.425 0.002 20 30 ECEDMO COCCC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000886064779 590789191 /nfs/dbraw/zinc/78/91/91/590789191.db2.gz IITZLSHQRJNZSJ-LSDHHAIUSA-N 1 1 344.477 0.957 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000884278073 590794828 /nfs/dbraw/zinc/79/48/28/590794828.db2.gz BSMARFBLKAVIGT-LSDHHAIUSA-N 1 1 335.379 0.745 20 30 ECEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CCC1 ZINC000886179100 590802433 /nfs/dbraw/zinc/80/24/33/590802433.db2.gz MWRQLTIGEZEYPJ-HUUCEWRRSA-N 1 1 341.477 0.931 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000884448919 590831415 /nfs/dbraw/zinc/83/14/15/590831415.db2.gz PXVNBXXKHVIJAU-CQSZACIVSA-N 1 1 339.399 0.591 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(=O)n3ccccc3n2)C1 ZINC000884448919 590831418 /nfs/dbraw/zinc/83/14/18/590831418.db2.gz PXVNBXXKHVIJAU-CQSZACIVSA-N 1 1 339.399 0.591 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000886355865 590834252 /nfs/dbraw/zinc/83/42/52/590834252.db2.gz OVDBGVQFCWKWIJ-MRXNPFEDSA-N 1 1 327.432 0.861 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000886359565 590834623 /nfs/dbraw/zinc/83/46/23/590834623.db2.gz FOJQFTZTVKRUCW-HNNXBMFYSA-N 1 1 349.456 0.338 20 30 ECEDMO C#CC[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000888056772 591033076 /nfs/dbraw/zinc/03/30/76/591033076.db2.gz RVSSTVGKXYBPSG-HOTGVXAUSA-N 1 1 334.464 0.984 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)n2)C1 ZINC000889793551 591097402 /nfs/dbraw/zinc/09/74/02/591097402.db2.gz NUDYYIJXRMVIBU-CYBMUJFWSA-N 1 1 329.404 0.934 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000890370806 591152921 /nfs/dbraw/zinc/15/29/21/591152921.db2.gz GKKLLZWXYYAGBV-ROUUACIJSA-N 1 1 347.507 0.505 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000890369465 591153491 /nfs/dbraw/zinc/15/34/91/591153491.db2.gz WRIFFWJZQSEJTA-LBPRGKRZSA-N 1 1 349.464 0.050 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000890369465 591153494 /nfs/dbraw/zinc/15/34/94/591153494.db2.gz WRIFFWJZQSEJTA-LBPRGKRZSA-N 1 1 349.464 0.050 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000890372233 591154766 /nfs/dbraw/zinc/15/47/66/591154766.db2.gz HNIRBHHRXIICPX-QGZVFWFLSA-N 1 1 344.463 0.345 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000890372233 591154771 /nfs/dbraw/zinc/15/47/71/591154771.db2.gz HNIRBHHRXIICPX-QGZVFWFLSA-N 1 1 344.463 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(N3CCCC3=O)CC2)C1 ZINC000890371885 591155092 /nfs/dbraw/zinc/15/50/92/591155092.db2.gz CWKRCMCSWLSSIV-HNNXBMFYSA-N 1 1 332.448 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(N3CCCC3=O)CC2)C1 ZINC000890371885 591155094 /nfs/dbraw/zinc/15/50/94/591155094.db2.gz CWKRCMCSWLSSIV-HNNXBMFYSA-N 1 1 332.448 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000890376851 591155676 /nfs/dbraw/zinc/15/56/76/591155676.db2.gz AVEITXUAYMRGMM-CQSZACIVSA-N 1 1 325.376 0.881 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(-n3cnnn3)cc2)C1 ZINC000890376851 591155679 /nfs/dbraw/zinc/15/56/79/591155679.db2.gz AVEITXUAYMRGMM-CQSZACIVSA-N 1 1 325.376 0.881 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)CC[C@@H]2C1 ZINC000946610537 611363354 /nfs/dbraw/zinc/36/33/54/611363354.db2.gz YSYMFAIXALXPCW-IXDOHACOSA-N 1 1 349.475 0.838 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946612879 611364014 /nfs/dbraw/zinc/36/40/14/611364014.db2.gz XZOAOVVKSHRGJX-HRCADAONSA-N 1 1 345.443 0.718 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C)[C@@H]1CCCO1 ZINC000930468349 611430543 /nfs/dbraw/zinc/43/05/43/611430543.db2.gz YXSLAIGBFDVFRP-PMPSAXMXSA-N 1 1 335.448 0.472 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C)[C@@H]1CCCO1 ZINC000930468349 611430546 /nfs/dbraw/zinc/43/05/46/611430546.db2.gz YXSLAIGBFDVFRP-PMPSAXMXSA-N 1 1 335.448 0.472 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000930822515 611468768 /nfs/dbraw/zinc/46/87/68/611468768.db2.gz XIUHDRNGQWMGAE-CQSZACIVSA-N 1 1 336.436 0.412 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2CC1 ZINC000946787043 611476636 /nfs/dbraw/zinc/47/66/36/611476636.db2.gz XELDNPDHYUCLPX-ALYAQQCSSA-N 1 1 347.459 0.636 20 30 ECEDMO N#Cc1sccc1N1CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000930929855 611483755 /nfs/dbraw/zinc/48/37/55/611483755.db2.gz ZWZLROQLQOUNCD-BBRMVZONSA-N 1 1 337.445 0.644 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000931142570 611510679 /nfs/dbraw/zinc/51/06/79/611510679.db2.gz KZMYLCIQZUBCBB-CQSZACIVSA-N 1 1 330.384 0.403 20 30 ECEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@H+](C)[C@H](CO)C1 ZINC000931406904 611537925 /nfs/dbraw/zinc/53/79/25/611537925.db2.gz SGCFLVBBECVSMD-NDUQDZPOSA-N 1 1 336.480 0.914 20 30 ECEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000931406904 611537927 /nfs/dbraw/zinc/53/79/27/611537927.db2.gz SGCFLVBBECVSMD-NDUQDZPOSA-N 1 1 336.480 0.914 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000947454559 611544488 /nfs/dbraw/zinc/54/44/88/611544488.db2.gz LYJDMIFGTHYNQH-CMPLNLGQSA-N 1 1 327.406 0.696 20 30 ECEDMO COC1(OC)CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1O ZINC000931637384 611558966 /nfs/dbraw/zinc/55/89/66/611558966.db2.gz UVMRKSNZPYJCBO-HNNXBMFYSA-N 1 1 333.388 0.943 20 30 ECEDMO COC1(OC)CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H]1O ZINC000931633948 611558316 /nfs/dbraw/zinc/55/83/16/611558316.db2.gz LYGYLTQVTNDAQY-OAHLLOKOSA-N 1 1 333.388 0.943 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1C ZINC000947496658 611566097 /nfs/dbraw/zinc/56/60/97/611566097.db2.gz CSADUBYZZHIPLG-WDEREUQCSA-N 1 1 327.406 0.696 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C ZINC000947497552 611566907 /nfs/dbraw/zinc/56/69/07/611566907.db2.gz JIWXAVDZNQDBPZ-VXGBXAGGSA-N 1 1 339.417 0.533 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C[C@@H]1C ZINC000947502306 611569596 /nfs/dbraw/zinc/56/95/96/611569596.db2.gz MOPUDTQXIOJTAA-AAEUAGOBSA-N 1 1 328.372 0.628 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC000947510360 611574158 /nfs/dbraw/zinc/57/41/58/611574158.db2.gz KCOWKFPMTGGNLV-ZIAGYGMSSA-N 1 1 334.420 0.884 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC000948416866 611582858 /nfs/dbraw/zinc/58/28/58/611582858.db2.gz RFFNJDAHTAEFSM-CABCVRRESA-N 1 1 333.432 0.860 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000948476850 611614284 /nfs/dbraw/zinc/61/42/84/611614284.db2.gz DPYQDSAENRGDTG-IMJJTQAJSA-N 1 1 335.448 0.636 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C[C@H](C)N1CC#N ZINC000927632047 611621274 /nfs/dbraw/zinc/62/12/74/611621274.db2.gz ZNUUULZPJPYMNH-UXLLHSPISA-N 1 1 349.479 0.867 20 30 ECEDMO COc1ncc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000932509131 611635865 /nfs/dbraw/zinc/63/58/65/611635865.db2.gz XNSXGJRAGJODBZ-KGLIPLIRSA-N 1 1 331.376 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000937340744 608604060 /nfs/dbraw/zinc/60/40/60/608604060.db2.gz NMTWCRALIGTNCJ-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000937340744 608604062 /nfs/dbraw/zinc/60/40/62/608604062.db2.gz NMTWCRALIGTNCJ-GJZGRUSLSA-N 1 1 343.431 0.489 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 ZINC000949386161 608664889 /nfs/dbraw/zinc/66/48/89/608664889.db2.gz VMDMDCAOLMRTHK-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC000949391599 608666273 /nfs/dbraw/zinc/66/62/73/608666273.db2.gz LRADNODLTZOPIS-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC000949391599 608666274 /nfs/dbraw/zinc/66/62/74/608666274.db2.gz LRADNODLTZOPIS-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 ZINC000949441413 608679884 /nfs/dbraw/zinc/67/98/84/608679884.db2.gz SXTVMDMEEGLZPY-OAHLLOKOSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)c1cnn(C)n1)CCO2 ZINC000949209460 608684657 /nfs/dbraw/zinc/68/46/57/608684657.db2.gz CLDLKXABEWBHPX-UHFFFAOYSA-N 1 1 339.827 0.875 20 30 ECEDMO C=CCN1CC(=O)N([C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000925100867 608760888 /nfs/dbraw/zinc/76/08/88/608760888.db2.gz HPOSSURJHXNEBI-OAHLLOKOSA-N 1 1 336.436 0.233 20 30 ECEDMO C#CCN(C(=O)NCc1nc(CSC)n[nH]1)C1CC[NH+](C)CC1 ZINC000924054528 608772614 /nfs/dbraw/zinc/77/26/14/608772614.db2.gz VYMNJFIPMJPFGB-UHFFFAOYSA-N 1 1 336.465 0.907 20 30 ECEDMO C#CCN(C(=O)NCc1nnc(CSC)[nH]1)C1CC[NH+](C)CC1 ZINC000924054528 608772616 /nfs/dbraw/zinc/77/26/16/608772616.db2.gz VYMNJFIPMJPFGB-UHFFFAOYSA-N 1 1 336.465 0.907 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C ZINC000947800414 608858609 /nfs/dbraw/zinc/85/86/09/608858609.db2.gz HOKPTLCRVRAPLL-JQWIXIFHSA-N 1 1 327.812 0.761 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C ZINC000947800414 608858611 /nfs/dbraw/zinc/85/86/11/608858611.db2.gz HOKPTLCRVRAPLL-JQWIXIFHSA-N 1 1 327.812 0.761 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@@H]1C ZINC000947524268 608858762 /nfs/dbraw/zinc/85/87/62/608858762.db2.gz QYQLJWPEWFVDSS-KBPBESRZSA-N 1 1 334.420 0.658 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cnnn1C ZINC000947204461 608917361 /nfs/dbraw/zinc/91/73/61/608917361.db2.gz DHKOGYFAGGVEMD-WCQYABFASA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cnnn1C ZINC000947204461 608917363 /nfs/dbraw/zinc/91/73/63/608917363.db2.gz DHKOGYFAGGVEMD-WCQYABFASA-N 1 1 327.392 0.798 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CCN1CCNC1=O ZINC000947216763 608953703 /nfs/dbraw/zinc/95/37/03/608953703.db2.gz HQYIMGYVQHNUBA-STQMWFEESA-N 1 1 344.419 0.494 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C[C@@H]1C ZINC000947821328 608954600 /nfs/dbraw/zinc/95/46/00/608954600.db2.gz SSORJUSHTKDTNV-QWRGUYRKSA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C[C@@H]1C ZINC000947821328 608954601 /nfs/dbraw/zinc/95/46/01/608954601.db2.gz SSORJUSHTKDTNV-QWRGUYRKSA-N 1 1 328.800 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCOC1 ZINC000936692588 608977010 /nfs/dbraw/zinc/97/70/10/608977010.db2.gz KJDUJNCELFJCBT-QZWWFDLISA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCOC1 ZINC000936692588 608977013 /nfs/dbraw/zinc/97/70/13/608977013.db2.gz KJDUJNCELFJCBT-QZWWFDLISA-N 1 1 345.443 0.322 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC000936711383 608999797 /nfs/dbraw/zinc/99/97/97/608999797.db2.gz GSWOVOCJDRJBSK-OAHLLOKOSA-N 1 1 343.431 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2scnc2C)C1 ZINC000937707125 609025350 /nfs/dbraw/zinc/02/53/50/609025350.db2.gz QJEMAAIAYBHXTR-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2scnc2C)C1 ZINC000937707125 609025354 /nfs/dbraw/zinc/02/53/54/609025354.db2.gz QJEMAAIAYBHXTR-KBPBESRZSA-N 1 1 346.456 0.880 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000954426773 609050584 /nfs/dbraw/zinc/05/05/84/609050584.db2.gz ZBBPSVKCANNDIU-CRAIPNDOSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000954426773 609050587 /nfs/dbraw/zinc/05/05/87/609050587.db2.gz ZBBPSVKCANNDIU-CRAIPNDOSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)on1 ZINC000936328543 609077401 /nfs/dbraw/zinc/07/74/01/609077401.db2.gz AARVIOQDHTXUCK-DZKIICNBSA-N 1 1 342.399 0.506 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)on1 ZINC000936328543 609077404 /nfs/dbraw/zinc/07/74/04/609077404.db2.gz AARVIOQDHTXUCK-DZKIICNBSA-N 1 1 342.399 0.506 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)N[C@H](CC#N)C(F)(F)F)CC[N@@H+](C)C1 ZINC000932897416 611683064 /nfs/dbraw/zinc/68/30/64/611683064.db2.gz BYFLNTFOKLEWDO-NXEZZACHSA-N 1 1 336.314 0.577 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)n3)[C@@H](C)C2)nn1 ZINC000947791468 611692237 /nfs/dbraw/zinc/69/22/37/611692237.db2.gz CEMBDRLNRBVMPD-UONOGXRCSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccn(C)n3)[C@@H](C)C2)nn1 ZINC000947791468 611692240 /nfs/dbraw/zinc/69/22/40/611692240.db2.gz CEMBDRLNRBVMPD-UONOGXRCSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccnn2CC)C1 ZINC000937870441 609363933 /nfs/dbraw/zinc/36/39/33/609363933.db2.gz CSHGGRRGSNHQMX-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccnn2CC)C1 ZINC000937870441 609363936 /nfs/dbraw/zinc/36/39/36/609363936.db2.gz CSHGGRRGSNHQMX-HOCLYGCPSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000938170039 609481328 /nfs/dbraw/zinc/48/13/28/609481328.db2.gz BRNHOTCUCMXOOP-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000938170039 609481330 /nfs/dbraw/zinc/48/13/30/609481330.db2.gz BRNHOTCUCMXOOP-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC3(CC3)C2)C1 ZINC000938170436 609481760 /nfs/dbraw/zinc/48/17/60/609481760.db2.gz HPCMXVNQWFTOQE-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC3(CC3)C2)C1 ZINC000938170436 609481763 /nfs/dbraw/zinc/48/17/63/609481763.db2.gz HPCMXVNQWFTOQE-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000938172210 609484934 /nfs/dbraw/zinc/48/49/34/609484934.db2.gz AULUBZFGBDRCFI-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000938172210 609484936 /nfs/dbraw/zinc/48/49/36/609484936.db2.gz AULUBZFGBDRCFI-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000938173066 609487076 /nfs/dbraw/zinc/48/70/76/609487076.db2.gz MXFRZDGRVSPATN-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000938173066 609487079 /nfs/dbraw/zinc/48/70/79/609487079.db2.gz MXFRZDGRVSPATN-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938226665 609551865 /nfs/dbraw/zinc/55/18/65/609551865.db2.gz VHAOTDCDDFXAEK-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000938227146 609552653 /nfs/dbraw/zinc/55/26/53/609552653.db2.gz UONBDIPZNVSHBT-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000907851775 609625991 /nfs/dbraw/zinc/62/59/91/609625991.db2.gz CDFSUGWGGDRBDC-WBVHZDCISA-N 1 1 329.404 0.057 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)nc1 ZINC000908010863 609636297 /nfs/dbraw/zinc/63/62/97/609636297.db2.gz DCZFLPJHYJBXPT-ZIAGYGMSSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)nc1 ZINC000908010863 609636300 /nfs/dbraw/zinc/63/63/00/609636300.db2.gz DCZFLPJHYJBXPT-ZIAGYGMSSA-N 1 1 336.417 0.173 20 30 ECEDMO C[C@H](NS(=O)(=O)c1cccc(CC#N)c1)[C@H]1C[N@H+](C)CCN1C ZINC000919990282 609669350 /nfs/dbraw/zinc/66/93/50/609669350.db2.gz PKFPBBRKQODHNI-XJKSGUPXSA-N 1 1 336.461 0.665 20 30 ECEDMO C[C@H](NS(=O)(=O)c1cccc(CC#N)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000919990282 609669351 /nfs/dbraw/zinc/66/93/51/609669351.db2.gz PKFPBBRKQODHNI-XJKSGUPXSA-N 1 1 336.461 0.665 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000920012046 609669876 /nfs/dbraw/zinc/66/98/76/609669876.db2.gz ZXMVZOWNQXLSTP-NHYWBVRUSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920012046 609669879 /nfs/dbraw/zinc/66/98/79/609669879.db2.gz ZXMVZOWNQXLSTP-NHYWBVRUSA-N 1 1 340.424 0.610 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000920420780 609681791 /nfs/dbraw/zinc/68/17/91/609681791.db2.gz ATSRCKALHXDCKA-GASCZTMLSA-N 1 1 325.457 0.582 20 30 ECEDMO C[NH+](C)CC#CCNC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000913518712 609685365 /nfs/dbraw/zinc/68/53/65/609685365.db2.gz YHZOBQVCXMVVGI-UHFFFAOYSA-N 1 1 327.388 0.364 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913553663 609694602 /nfs/dbraw/zinc/69/46/02/609694602.db2.gz MRHLHOFWPZHYQU-OAHLLOKOSA-N 1 1 333.436 0.481 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913553663 609694603 /nfs/dbraw/zinc/69/46/03/609694603.db2.gz MRHLHOFWPZHYQU-OAHLLOKOSA-N 1 1 333.436 0.481 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@@H]1C ZINC000947853978 609698005 /nfs/dbraw/zinc/69/80/05/609698005.db2.gz YNEZNGPIMFHJRY-AAEUAGOBSA-N 1 1 332.404 0.731 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921321278 609702772 /nfs/dbraw/zinc/70/27/72/609702772.db2.gz CCPUKWSCCQFMKB-CHWSQXEVSA-N 1 1 332.495 0.636 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921321278 609702774 /nfs/dbraw/zinc/70/27/74/609702774.db2.gz CCPUKWSCCQFMKB-CHWSQXEVSA-N 1 1 332.495 0.636 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)CCCCCC(=O)OC)CC1 ZINC000921437960 609716647 /nfs/dbraw/zinc/71/66/47/609716647.db2.gz LXRBFQLRGOEZCE-UHFFFAOYSA-N 1 1 330.450 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC000938385716 609767380 /nfs/dbraw/zinc/76/73/80/609767380.db2.gz MPYMIKGUYXGTNL-HOCLYGCPSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC000938385716 609767381 /nfs/dbraw/zinc/76/73/81/609767381.db2.gz MPYMIKGUYXGTNL-HOCLYGCPSA-N 1 1 343.431 0.075 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC000947344498 609786530 /nfs/dbraw/zinc/78/65/30/609786530.db2.gz VYZOYFLNWOMHTG-ZIAGYGMSSA-N 1 1 332.452 0.963 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000948110443 609815634 /nfs/dbraw/zinc/81/56/34/609815634.db2.gz YYUUHRVLTOXMOT-UKRRQHHQSA-N 1 1 336.436 0.362 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000948110443 609815635 /nfs/dbraw/zinc/81/56/35/609815635.db2.gz YYUUHRVLTOXMOT-UKRRQHHQSA-N 1 1 336.436 0.362 20 30 ECEDMO C=CCn1cc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)nn1 ZINC000911279149 609836482 /nfs/dbraw/zinc/83/64/82/609836482.db2.gz XCEFGETUDBYAMC-CYBMUJFWSA-N 1 1 335.408 0.355 20 30 ECEDMO C=CCn1cc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)nn1 ZINC000911279149 609836483 /nfs/dbraw/zinc/83/64/83/609836483.db2.gz XCEFGETUDBYAMC-CYBMUJFWSA-N 1 1 335.408 0.355 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000938540385 609858501 /nfs/dbraw/zinc/85/85/01/609858501.db2.gz VYHZMPFKQNRYDX-UONOGXRCSA-N 1 1 346.435 0.089 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000914372187 609881590 /nfs/dbraw/zinc/88/15/90/609881590.db2.gz NKBNJJFDXFOHFT-MRXNPFEDSA-N 1 1 337.445 0.661 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CC2(C(=O)OCC)CCOCC2)C1 ZINC000923598253 609933768 /nfs/dbraw/zinc/93/37/68/609933768.db2.gz JZTRSRINJGTAPK-OAHLLOKOSA-N 1 1 336.432 0.950 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CC2(C(=O)OCC)CCOCC2)C1 ZINC000923598253 609933770 /nfs/dbraw/zinc/93/37/70/609933770.db2.gz JZTRSRINJGTAPK-OAHLLOKOSA-N 1 1 336.432 0.950 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cscn2)C1 ZINC000938756173 609981852 /nfs/dbraw/zinc/98/18/52/609981852.db2.gz JIIQEEXHERWHAJ-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cscn2)C1 ZINC000938756173 609981856 /nfs/dbraw/zinc/98/18/56/609981856.db2.gz JIIQEEXHERWHAJ-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC000938756847 609982653 /nfs/dbraw/zinc/98/26/53/609982653.db2.gz ZIBMWFWCGILFNC-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC000938756847 609982657 /nfs/dbraw/zinc/98/26/57/609982657.db2.gz ZIBMWFWCGILFNC-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC000938756847 609982658 /nfs/dbraw/zinc/98/26/58/609982658.db2.gz ZIBMWFWCGILFNC-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC000938756847 609982662 /nfs/dbraw/zinc/98/26/62/609982662.db2.gz ZIBMWFWCGILFNC-HIFRSBDPSA-N 1 1 329.404 0.180 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)CC[N@H+]1C ZINC000925336994 609993235 /nfs/dbraw/zinc/99/32/35/609993235.db2.gz VLYXEZNELLEGRE-HIFRSBDPSA-N 1 1 328.420 0.877 20 30 ECEDMO C[C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)C[C@@H](C)N1CC#N ZINC000918227799 609999424 /nfs/dbraw/zinc/99/94/24/609999424.db2.gz KJXLYPFPHFDYDM-ZIAGYGMSSA-N 1 1 325.482 0.663 20 30 ECEDMO N#C[C@H](CCc1ccccc1)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000913040537 610031851 /nfs/dbraw/zinc/03/18/51/610031851.db2.gz OLRUVZGJYMQULM-HNNXBMFYSA-N 1 1 328.416 0.825 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000939168359 610105400 /nfs/dbraw/zinc/10/54/00/610105400.db2.gz JCYWGYMPNHWHPQ-ZOFXXKQRSA-N 1 1 345.443 0.036 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000939168359 610105401 /nfs/dbraw/zinc/10/54/01/610105401.db2.gz JCYWGYMPNHWHPQ-ZOFXXKQRSA-N 1 1 345.443 0.036 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C)s3)C2)nn1 ZINC000939277091 610146247 /nfs/dbraw/zinc/14/62/47/610146247.db2.gz KNHCMYGDEZODEE-ZYHUDNBSSA-N 1 1 347.448 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC000939966350 610178739 /nfs/dbraw/zinc/17/87/39/610178739.db2.gz RQBCURSSCFBKJK-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC000939966350 610178740 /nfs/dbraw/zinc/17/87/40/610178740.db2.gz RQBCURSSCFBKJK-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnoc2CC)C1 ZINC000940473247 610287368 /nfs/dbraw/zinc/28/73/68/610287368.db2.gz AHRXTRLQOHEQNR-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnoc2CC)C1 ZINC000940473247 610287369 /nfs/dbraw/zinc/28/73/69/610287369.db2.gz AHRXTRLQOHEQNR-HIFRSBDPSA-N 1 1 344.415 0.665 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000940505019 610293145 /nfs/dbraw/zinc/29/31/45/610293145.db2.gz PFEPDOMDNCPYPR-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCO[C@H]3C=C)CC2)C1 ZINC000941413229 610302985 /nfs/dbraw/zinc/30/29/85/610302985.db2.gz UAPRJTSJKVTCIT-MSOLQXFVSA-N 1 1 331.460 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccnc(C)n2)C1 ZINC000940584848 610305674 /nfs/dbraw/zinc/30/56/74/610305674.db2.gz HJEWWCURLAGHIP-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccnc(C)n2)C1 ZINC000940584848 610305676 /nfs/dbraw/zinc/30/56/76/610305676.db2.gz HJEWWCURLAGHIP-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3cn4ccccc4n3)CC2)C1 ZINC000941460353 610320307 /nfs/dbraw/zinc/32/03/07/610320307.db2.gz PZTBONHWWOXZSV-UHFFFAOYSA-N 1 1 339.443 0.891 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ncnc4[nH]ccc43)CC2)C1 ZINC000941475033 610331691 /nfs/dbraw/zinc/33/16/91/610331691.db2.gz JYGIQXWSYZNPMY-UHFFFAOYSA-N 1 1 326.404 0.538 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940693538 610333199 /nfs/dbraw/zinc/33/31/99/610333199.db2.gz WQVGTIOXHOSCAN-RISCZKNCSA-N 1 1 331.420 0.851 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccncn2)CC1 ZINC000941465621 610334216 /nfs/dbraw/zinc/33/42/16/610334216.db2.gz RPIAAXYHKDYFJW-INIZCTEOSA-N 1 1 341.415 0.249 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ccncn2)CC1 ZINC000941465621 610334217 /nfs/dbraw/zinc/33/42/17/610334217.db2.gz RPIAAXYHKDYFJW-INIZCTEOSA-N 1 1 341.415 0.249 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc(COC)o3)CC2)C1 ZINC000941481392 610335772 /nfs/dbraw/zinc/33/57/72/610335772.db2.gz VRUDVGFCCKGYNB-UHFFFAOYSA-N 1 1 331.416 0.891 20 30 ECEDMO C#CCN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940754381 610357452 /nfs/dbraw/zinc/35/74/52/610357452.db2.gz XKNZQHXQIVGTDY-INIZCTEOSA-N 1 1 331.464 0.908 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000940753437 610357693 /nfs/dbraw/zinc/35/76/93/610357693.db2.gz LSRMMFNDJYHEOV-GFCCVEGCSA-N 1 1 334.424 0.170 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000940786229 610361831 /nfs/dbraw/zinc/36/18/31/610361831.db2.gz UTJXXICDINVERA-CQSZACIVSA-N 1 1 341.477 0.262 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC[N@H+]1C ZINC000940789443 610363539 /nfs/dbraw/zinc/36/35/39/610363539.db2.gz NVXQKMNSFHIFMH-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H](C)C1 ZINC000942259825 610364804 /nfs/dbraw/zinc/36/48/04/610364804.db2.gz UNJFKAGAWWDCJS-YPMHNXCESA-N 1 1 328.844 0.981 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H](C)C1 ZINC000942259825 610364806 /nfs/dbraw/zinc/36/48/06/610364806.db2.gz UNJFKAGAWWDCJS-YPMHNXCESA-N 1 1 328.844 0.981 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000940781824 610368865 /nfs/dbraw/zinc/36/88/65/610368865.db2.gz CVHFXRZTFSYUGI-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCN(C2C[NH+](CCn3cncn3)C2)CC1 ZINC000941551333 610373927 /nfs/dbraw/zinc/37/39/27/610373927.db2.gz ZPBQWZWCRZKNRX-SFHVURJKSA-N 1 1 346.479 0.709 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000940794305 610376525 /nfs/dbraw/zinc/37/65/25/610376525.db2.gz QIWFDLHDJATTDU-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000940794305 610376528 /nfs/dbraw/zinc/37/65/28/610376528.db2.gz QIWFDLHDJATTDU-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Oc3cccnc3)CC2)C1 ZINC000941559657 610382034 /nfs/dbraw/zinc/38/20/34/610382034.db2.gz HZSUOWSIUMUGJM-OAHLLOKOSA-N 1 1 330.432 0.863 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)CC2)C1 ZINC000941563528 610384200 /nfs/dbraw/zinc/38/42/00/610384200.db2.gz GYDVLSDASLXTLZ-INIZCTEOSA-N 1 1 341.459 0.681 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000940812668 610386212 /nfs/dbraw/zinc/38/62/12/610386212.db2.gz PVBBSXAXEZJEIV-CQSZACIVSA-N 1 1 343.431 0.903 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C ZINC000947895900 610393481 /nfs/dbraw/zinc/39/34/81/610393481.db2.gz TXWDQXQJAKRWLW-OLZOCXBDSA-N 1 1 334.420 0.309 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C(C)(C)C1 ZINC000940842804 610396039 /nfs/dbraw/zinc/39/60/39/610396039.db2.gz PRQMCAIXSVAFPZ-INIZCTEOSA-N 1 1 342.443 0.963 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC000941587014 610396977 /nfs/dbraw/zinc/39/69/77/610396977.db2.gz IFSZMQCYCFPCOB-HNNXBMFYSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940846651 610398187 /nfs/dbraw/zinc/39/81/87/610398187.db2.gz FBTXTJVPTCGEIX-CHWSQXEVSA-N 1 1 333.436 0.949 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc(C)nc3OC)CC2)C1 ZINC000941596523 610414228 /nfs/dbraw/zinc/41/42/28/610414228.db2.gz JRCYRKNBUBEXRZ-UHFFFAOYSA-N 1 1 342.443 0.864 20 30 ECEDMO CC1(C)CN(CC#N)CC[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000940907158 610428561 /nfs/dbraw/zinc/42/85/61/610428561.db2.gz ASKBOJAWCYLQTF-QRHJNKNDSA-N 1 1 332.448 0.590 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC000941654963 610430104 /nfs/dbraw/zinc/43/01/04/610430104.db2.gz PDTNEDGHMLHCFW-UHFFFAOYSA-N 1 1 331.464 0.757 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000941674177 610446967 /nfs/dbraw/zinc/44/69/67/610446967.db2.gz ZBTWVZBPERJGMZ-ZACQAIPSSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941674407 610447432 /nfs/dbraw/zinc/44/74/32/610447432.db2.gz AJOIFTPYUWTHDP-GOSISDBHSA-N 1 1 332.492 0.713 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941675250 610448064 /nfs/dbraw/zinc/44/80/64/610448064.db2.gz VPYUJSFXXZILBR-GOSISDBHSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC000942444231 610451959 /nfs/dbraw/zinc/45/19/59/610451959.db2.gz XYIMCQRBFPDKDE-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC000942444231 610451961 /nfs/dbraw/zinc/45/19/61/610451961.db2.gz XYIMCQRBFPDKDE-CABCVRRESA-N 1 1 343.431 0.455 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC000941693259 610466726 /nfs/dbraw/zinc/46/67/26/610466726.db2.gz UEMLRNGPRZSELF-HNNXBMFYSA-N 1 1 329.448 0.375 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3cnn(C)c3)CC2)C1 ZINC000941693260 610466880 /nfs/dbraw/zinc/46/68/80/610466880.db2.gz UEMLRNGPRZSELF-OAHLLOKOSA-N 1 1 329.448 0.375 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](C)C1 ZINC000942523406 610498926 /nfs/dbraw/zinc/49/89/26/610498926.db2.gz PWULRIWKYYPDDD-GXTWGEPZSA-N 1 1 326.404 0.827 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H](C)C1 ZINC000942528090 610500200 /nfs/dbraw/zinc/50/02/00/610500200.db2.gz XRBSFCMSTGADJK-WCQYABFASA-N 1 1 329.404 0.957 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H](C)C1 ZINC000942528088 610500226 /nfs/dbraw/zinc/50/02/26/610500226.db2.gz XRBSFCMSTGADJK-AAEUAGOBSA-N 1 1 329.404 0.957 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](C)C1 ZINC000942546959 610507168 /nfs/dbraw/zinc/50/71/68/610507168.db2.gz CZVVFKJENXKGKS-YPMHNXCESA-N 1 1 342.407 0.157 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)nn1 ZINC000941085184 610529072 /nfs/dbraw/zinc/52/90/72/610529072.db2.gz LQHBGJUQAUUFTH-ZIAGYGMSSA-N 1 1 346.435 0.183 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C)C1 ZINC000942607637 610536512 /nfs/dbraw/zinc/53/65/12/610536512.db2.gz INVPYISVLLEJQK-UONOGXRCSA-N 1 1 348.447 0.721 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000941882306 610541016 /nfs/dbraw/zinc/54/10/16/610541016.db2.gz XEJSOXSDAVKOHY-FVQBIDKESA-N 1 1 340.427 0.734 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000941870793 610546306 /nfs/dbraw/zinc/54/63/06/610546306.db2.gz VXDDENNXHKRWNX-YYHKSVKZSA-N 1 1 347.459 0.779 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)CC2(C)C)nc1 ZINC000941169277 610583252 /nfs/dbraw/zinc/58/32/52/610583252.db2.gz KPDPKXXIBBQFKF-OAHLLOKOSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)CC2(C)C)nc1 ZINC000941169277 610583253 /nfs/dbraw/zinc/58/32/53/610583253.db2.gz KPDPKXXIBBQFKF-OAHLLOKOSA-N 1 1 328.416 0.639 20 30 ECEDMO C[C@H]1C[N@@H+](CCN2CCNC2=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964214 610586507 /nfs/dbraw/zinc/58/65/07/610586507.db2.gz PKZHXFDTXIZBHW-WFASDCNBSA-N 1 1 344.419 0.352 20 30 ECEDMO C[C@@H]1C[N@H+](CCS(C)(=O)=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964859 610587265 /nfs/dbraw/zinc/58/72/65/610587265.db2.gz UZKVKLVJOXURAF-RISCZKNCSA-N 1 1 338.433 0.371 20 30 ECEDMO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964859 610587268 /nfs/dbraw/zinc/58/72/68/610587268.db2.gz UZKVKLVJOXURAF-RISCZKNCSA-N 1 1 338.433 0.371 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000941215380 610599993 /nfs/dbraw/zinc/59/99/93/610599993.db2.gz RJVQETCYJJDRKD-AWEZNQCLSA-N 1 1 343.493 0.120 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)C1 ZINC000941205920 610596192 /nfs/dbraw/zinc/59/61/92/610596192.db2.gz FVFRDRANSMHLMB-GFCCVEGCSA-N 1 1 329.404 0.429 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000941206045 610596414 /nfs/dbraw/zinc/59/64/14/610596414.db2.gz GMIPWODXLKRZFH-ZDUSSCGKSA-N 1 1 336.436 0.673 20 30 ECEDMO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000942752712 610599433 /nfs/dbraw/zinc/59/94/33/610599433.db2.gz VITHXJXGBYBKEH-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C(C)(C)C1 ZINC000941217657 610601556 /nfs/dbraw/zinc/60/15/56/610601556.db2.gz RWQGXRINNCDCLX-AWEZNQCLSA-N 1 1 340.431 0.907 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941227087 610610714 /nfs/dbraw/zinc/61/07/14/610610714.db2.gz ZZZRSAFZXLSLLV-NEPJUHHUSA-N 1 1 349.884 0.647 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941227087 610610717 /nfs/dbraw/zinc/61/07/17/610610717.db2.gz ZZZRSAFZXLSLLV-NEPJUHHUSA-N 1 1 349.884 0.647 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccncc2C)C1 ZINC000941238066 610621974 /nfs/dbraw/zinc/62/19/74/610621974.db2.gz RTSCBNWDIMOSNV-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccncc2C)C1 ZINC000941238066 610621976 /nfs/dbraw/zinc/62/19/76/610621976.db2.gz RTSCBNWDIMOSNV-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccnnc2C)C1 ZINC000941238068 610622144 /nfs/dbraw/zinc/62/21/44/610622144.db2.gz RWDSXTIZFJPAHD-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccnnc2C)C1 ZINC000941238068 610622147 /nfs/dbraw/zinc/62/21/47/610622147.db2.gz RWDSXTIZFJPAHD-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 ZINC000941238057 610622195 /nfs/dbraw/zinc/62/21/95/610622195.db2.gz RJIKCZXPIZXXNX-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 ZINC000941238057 610622197 /nfs/dbraw/zinc/62/21/97/610622197.db2.gz RJIKCZXPIZXXNX-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](C)C1 ZINC000942079599 610644325 /nfs/dbraw/zinc/64/43/25/610644325.db2.gz MWSQPFBHVJKWRY-KBPBESRZSA-N 1 1 332.452 0.821 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](C)C1 ZINC000942859902 610651341 /nfs/dbraw/zinc/65/13/41/610651341.db2.gz OXLPENAPNAFCPB-UONOGXRCSA-N 1 1 330.432 0.814 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C ZINC000947900680 610693967 /nfs/dbraw/zinc/69/39/67/610693967.db2.gz URGRFFGNVMBJTN-HUUCEWRRSA-N 1 1 345.447 0.374 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000942194338 610694487 /nfs/dbraw/zinc/69/44/87/610694487.db2.gz AEPCTJYHHJOSHT-DGCLKSJQSA-N 1 1 341.433 0.943 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 ZINC000944155337 610770242 /nfs/dbraw/zinc/77/02/42/610770242.db2.gz MZMAXBCFRDDJMD-VXGBXAGGSA-N 1 1 330.392 0.434 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)C[C@H]2C)nc1 ZINC000944192869 610775820 /nfs/dbraw/zinc/77/58/20/610775820.db2.gz OBJYPXILFUARLZ-HIFRSBDPSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)C[C@H]2C)nc1 ZINC000944192869 610775822 /nfs/dbraw/zinc/77/58/22/610775822.db2.gz OBJYPXILFUARLZ-HIFRSBDPSA-N 1 1 349.456 0.548 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1C ZINC000944213303 610786045 /nfs/dbraw/zinc/78/60/45/610786045.db2.gz CMTIOWZHOVYEKV-ZBFHGGJFSA-N 1 1 331.416 0.916 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C[C@@H]2C)cn1 ZINC000944214624 610786825 /nfs/dbraw/zinc/78/68/25/610786825.db2.gz MSGXLPZOZFZOPP-SUMWQHHRSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C[C@@H]2C)cn1 ZINC000944214624 610786826 /nfs/dbraw/zinc/78/68/26/610786826.db2.gz MSGXLPZOZFZOPP-SUMWQHHRSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]2C)cn1 ZINC000944214622 610787085 /nfs/dbraw/zinc/78/70/85/610787085.db2.gz MSGXLPZOZFZOPP-DYVFJYSZSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C[C@H]2C)cn1 ZINC000944214622 610787088 /nfs/dbraw/zinc/78/70/88/610787088.db2.gz MSGXLPZOZFZOPP-DYVFJYSZSA-N 1 1 338.415 0.832 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)n3)C[C@H]2C)nn1 ZINC000943482770 610869392 /nfs/dbraw/zinc/86/93/92/610869392.db2.gz QMZKUZZIXIAPSM-HIFRSBDPSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)n3)C[C@H]2C)nn1 ZINC000943482770 610869395 /nfs/dbraw/zinc/86/93/95/610869395.db2.gz QMZKUZZIXIAPSM-HIFRSBDPSA-N 1 1 343.435 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C(C)(F)F)CC1 ZINC000943507087 610879192 /nfs/dbraw/zinc/87/91/92/610879192.db2.gz VJCRUUPNBRBWNG-ZDUSSCGKSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C(C)(F)F)CC1 ZINC000943507087 610879193 /nfs/dbraw/zinc/87/91/93/610879193.db2.gz VJCRUUPNBRBWNG-ZDUSSCGKSA-N 1 1 327.375 0.846 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@H](C)C1 ZINC000943519807 610882552 /nfs/dbraw/zinc/88/25/52/610882552.db2.gz ZAOJGXWFAGKIOD-OCCSQVGLSA-N 1 1 327.388 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](CC)OC)CC1 ZINC000945107034 610911971 /nfs/dbraw/zinc/91/19/71/610911971.db2.gz QZIXKBYZVRRJML-HOTGVXAUSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](CC)OC)CC1 ZINC000945107034 610911974 /nfs/dbraw/zinc/91/19/74/610911974.db2.gz QZIXKBYZVRRJML-HOTGVXAUSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](C)C1 ZINC000945177970 610933782 /nfs/dbraw/zinc/93/37/82/610933782.db2.gz DLKAHFZQOKOAGF-KGLIPLIRSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ncc[nH]2)CC1 ZINC000943697380 610942259 /nfs/dbraw/zinc/94/22/59/610942259.db2.gz UKBWCCBNFUEFEM-KKUMJFAQSA-N 1 1 343.431 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ncc[nH]2)CC1 ZINC000943697380 610942262 /nfs/dbraw/zinc/94/22/62/610942262.db2.gz UKBWCCBNFUEFEM-KKUMJFAQSA-N 1 1 343.431 0.665 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 ZINC000944657123 611054357 /nfs/dbraw/zinc/05/43/57/611054357.db2.gz XSKDDGJIQMDEJT-STQMWFEESA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C=C2CCC2)CCO1 ZINC000944645971 611055457 /nfs/dbraw/zinc/05/54/57/611055457.db2.gz DUKAUJZRTXYNDI-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C=C2CCC2)CCO1 ZINC000944645971 611055460 /nfs/dbraw/zinc/05/54/60/611055460.db2.gz DUKAUJZRTXYNDI-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 ZINC000943988536 611071310 /nfs/dbraw/zinc/07/13/10/611071310.db2.gz QPXRNLHDCOVLDY-CHWSQXEVSA-N 1 1 334.420 0.167 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC000944029933 611091114 /nfs/dbraw/zinc/09/11/14/611091114.db2.gz HIQBCYILPPPECB-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H](C)C1 ZINC000944034593 611097941 /nfs/dbraw/zinc/09/79/41/611097941.db2.gz VWCCUAHFEAPJCS-ZIAGYGMSSA-N 1 1 333.436 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC000944097470 611130832 /nfs/dbraw/zinc/13/08/32/611130832.db2.gz FDLSTJPNGVCIQM-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC000944097470 611130835 /nfs/dbraw/zinc/13/08/35/611130835.db2.gz FDLSTJPNGVCIQM-ZBFHGGJFSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000944099293 611131430 /nfs/dbraw/zinc/13/14/30/611131430.db2.gz IIPOKNICSVKFAP-WCXIOVBPSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000944099293 611131432 /nfs/dbraw/zinc/13/14/32/611131432.db2.gz IIPOKNICSVKFAP-WCXIOVBPSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)CC[C@@H]2C1 ZINC000946848609 611194500 /nfs/dbraw/zinc/19/45/00/611194500.db2.gz KOIOJKUKHCPODR-OWCLPIDISA-N 1 1 343.431 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cc2cnoc2)CC1 ZINC000947918450 611196238 /nfs/dbraw/zinc/19/62/38/611196238.db2.gz LBBMQAWWYBBYEK-INIZCTEOSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cc2cnoc2)CC1 ZINC000947918450 611196240 /nfs/dbraw/zinc/19/62/40/611196240.db2.gz LBBMQAWWYBBYEK-INIZCTEOSA-N 1 1 344.415 0.422 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946887690 611226861 /nfs/dbraw/zinc/22/68/61/611226861.db2.gz PREYJRGQQFHETG-GASCZTMLSA-N 1 1 333.432 0.882 20 30 ECEDMO CCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC000923322013 611229292 /nfs/dbraw/zinc/22/92/92/611229292.db2.gz RRLCKLRZSUEWAX-UMVBOHGHSA-N 1 1 340.449 0.050 20 30 ECEDMO CCC[N@H+]1CC[C@@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC000923322013 611229295 /nfs/dbraw/zinc/22/92/95/611229295.db2.gz RRLCKLRZSUEWAX-UMVBOHGHSA-N 1 1 340.449 0.050 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)CC[C@@H]2C1 ZINC000946911294 611253716 /nfs/dbraw/zinc/25/37/16/611253716.db2.gz MMYJVRQGLBSFCS-GASCZTMLSA-N 1 1 326.400 0.598 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)CC[C@@H]2C1 ZINC000946911541 611253785 /nfs/dbraw/zinc/25/37/85/611253785.db2.gz ZMCPXEGCSILXMI-IYBDPMFKSA-N 1 1 340.427 0.988 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)CC[N@H+]1C ZINC000946911908 611254281 /nfs/dbraw/zinc/25/42/81/611254281.db2.gz QPYCLJUPLKNNLO-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)COCCNC(=O)c2ccccc2)C1 ZINC000923565940 611264128 /nfs/dbraw/zinc/26/41/28/611264128.db2.gz LVQKYOUECWEZQT-KRWDZBQOSA-N 1 1 343.427 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)COCCNC(=O)c2ccccc2)C1 ZINC000923565940 611264129 /nfs/dbraw/zinc/26/41/29/611264129.db2.gz LVQKYOUECWEZQT-KRWDZBQOSA-N 1 1 343.427 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000923589387 611270310 /nfs/dbraw/zinc/27/03/10/611270310.db2.gz PYNWXVQLLSPBCO-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000923589387 611270309 /nfs/dbraw/zinc/27/03/09/611270309.db2.gz PYNWXVQLLSPBCO-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000811839882 611282936 /nfs/dbraw/zinc/28/29/36/611282936.db2.gz GXXCUGBWYKYEDE-UHFFFAOYSA-N 1 1 332.389 0.255 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000946496251 611285314 /nfs/dbraw/zinc/28/53/14/611285314.db2.gz GECKXIOCNUVXEX-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO CCn1ccnc1C(C)=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000834925331 611305346 /nfs/dbraw/zinc/30/53/46/611305346.db2.gz LEZMIHBMZXVZPI-UHFFFAOYSA-N 1 1 338.481 0.813 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921912024 611326162 /nfs/dbraw/zinc/32/61/62/611326162.db2.gz VMZGFNMYSNUNQB-GXTWGEPZSA-N 1 1 330.454 0.166 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921912027 611326193 /nfs/dbraw/zinc/32/61/93/611326193.db2.gz VMZGFNMYSNUNQB-OCCSQVGLSA-N 1 1 330.454 0.166 20 30 ECEDMO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)N=S1(=O)CCCC1 ZINC000922022964 611331380 /nfs/dbraw/zinc/33/13/80/611331380.db2.gz RNJQVPIGIFEVTG-UHFFFAOYSA-N 1 1 333.479 0.522 20 30 ECEDMO C#C[C@H](NC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O)[C@H]1CCCO1 ZINC000922047145 611333096 /nfs/dbraw/zinc/33/30/96/611333096.db2.gz JXGNXFNPPPRGRW-DIIACTEISA-N 1 1 349.475 0.946 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[C@@H]1C ZINC000947900790 611736011 /nfs/dbraw/zinc/73/60/11/611736011.db2.gz WPFZDQPJDOVMFJ-KBPBESRZSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C ZINC000947929757 611744851 /nfs/dbraw/zinc/74/48/51/611744851.db2.gz NXOKQTUACMACNK-NWDGAFQWSA-N 1 1 330.392 0.576 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@H]1C ZINC000947944133 611750643 /nfs/dbraw/zinc/75/06/43/611750643.db2.gz RHIVORDMDMTXNA-YPMHNXCESA-N 1 1 325.368 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)[C@H](C)C2)cn1 ZINC000947948508 611752564 /nfs/dbraw/zinc/75/25/64/611752564.db2.gz OGTKSUVXWXPGEG-CZUORRHYSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)[C@H](C)C2)cn1 ZINC000947948508 611752566 /nfs/dbraw/zinc/75/25/66/611752566.db2.gz OGTKSUVXWXPGEG-CZUORRHYSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@@H](C)C2)cn1 ZINC000947948506 611752621 /nfs/dbraw/zinc/75/26/21/611752621.db2.gz OGTKSUVXWXPGEG-BBRMVZONSA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@@H](C)C2)cn1 ZINC000947948506 611752623 /nfs/dbraw/zinc/75/26/23/611752623.db2.gz OGTKSUVXWXPGEG-BBRMVZONSA-N 1 1 338.415 0.974 20 30 ECEDMO C(#CC[N@@H+]1CCC[C@H]1C1OCCO1)CN1CCC[C@H]1C1OCCO1 ZINC000933899590 611758247 /nfs/dbraw/zinc/75/82/47/611758247.db2.gz CVQLRSGAXCLUKY-HOTGVXAUSA-N 1 1 336.432 0.664 20 30 ECEDMO C(#CC[N@H+]1CCC[C@H]1C1OCCO1)CN1CCC[C@H]1C1OCCO1 ZINC000933899590 611758249 /nfs/dbraw/zinc/75/82/49/611758249.db2.gz CVQLRSGAXCLUKY-HOTGVXAUSA-N 1 1 336.432 0.664 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934274308 611784571 /nfs/dbraw/zinc/78/45/71/611784571.db2.gz ODIFLIMGJLCUTK-SQNIBIBYSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934274308 611784575 /nfs/dbraw/zinc/78/45/75/611784575.db2.gz ODIFLIMGJLCUTK-SQNIBIBYSA-N 1 1 345.443 0.829 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934274308 611784577 /nfs/dbraw/zinc/78/45/77/611784577.db2.gz ODIFLIMGJLCUTK-SQNIBIBYSA-N 1 1 345.443 0.829 20 30 ECEDMO C#C[C@@H]1CCCC[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000934512835 611805533 /nfs/dbraw/zinc/80/55/33/611805533.db2.gz AAHQRVOXRMTJJH-OAHLLOKOSA-N 1 1 349.456 0.480 20 30 ECEDMO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000934512835 611805536 /nfs/dbraw/zinc/80/55/36/611805536.db2.gz AAHQRVOXRMTJJH-OAHLLOKOSA-N 1 1 349.456 0.480 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC000949927073 611818292 /nfs/dbraw/zinc/81/82/92/611818292.db2.gz FQZDWQQKCBBCAF-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC000949927073 611818295 /nfs/dbraw/zinc/81/82/95/611818295.db2.gz FQZDWQQKCBBCAF-ZBFHGGJFSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000934838594 611824886 /nfs/dbraw/zinc/82/48/86/611824886.db2.gz NDXXINYIELZJBV-ZWKOTPCHSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cc(C)no2)C1 ZINC000949987574 611835029 /nfs/dbraw/zinc/83/50/29/611835029.db2.gz HMSUPSKMFOTQSZ-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cc(C)no2)C1 ZINC000949987574 611835031 /nfs/dbraw/zinc/83/50/31/611835031.db2.gz HMSUPSKMFOTQSZ-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cccc(C)n1 ZINC000950752538 611888483 /nfs/dbraw/zinc/88/84/83/611888483.db2.gz BUMOSVQMBHIDDQ-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cccc(C)n1 ZINC000950752538 611888484 /nfs/dbraw/zinc/88/84/84/611888484.db2.gz BUMOSVQMBHIDDQ-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(C)nn1 ZINC000950755831 611891423 /nfs/dbraw/zinc/89/14/23/611891423.db2.gz VPPVBGWUKIAKDV-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(C)nn1 ZINC000950755831 611891424 /nfs/dbraw/zinc/89/14/24/611891424.db2.gz VPPVBGWUKIAKDV-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c(C)ncn1C ZINC000950755891 611891822 /nfs/dbraw/zinc/89/18/22/611891822.db2.gz XEYPPTVRZUSZLN-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c(C)ncn1C ZINC000950755891 611891823 /nfs/dbraw/zinc/89/18/23/611891823.db2.gz XEYPPTVRZUSZLN-CABCVRRESA-N 1 1 343.431 0.157 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CCOC3(CCN(CC#N)CC3)C2)C1 ZINC000949188812 611894190 /nfs/dbraw/zinc/89/41/90/611894190.db2.gz AOWXLCIHTHKBHM-UHFFFAOYSA-N 1 1 334.464 0.935 20 30 ECEDMO C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)CN1CCOCC1)CCO2 ZINC000949244492 611917707 /nfs/dbraw/zinc/91/77/07/611917707.db2.gz KIKCCASJXWQUCE-KRWDZBQOSA-N 1 1 349.475 0.281 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(C#N)c2)CC[N@H+]1C ZINC000950245677 611926931 /nfs/dbraw/zinc/92/69/31/611926931.db2.gz GSLJFKSJCAQJAP-BYCMXARLSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CCc1cnn(C)c1)CCO2 ZINC000949320020 611937897 /nfs/dbraw/zinc/93/78/97/611937897.db2.gz DMMHWFBXRYPOGW-OAHLLOKOSA-N 1 1 345.447 0.816 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CCc1cnn(C)c1)CCO2 ZINC000949320020 611937898 /nfs/dbraw/zinc/93/78/98/611937898.db2.gz DMMHWFBXRYPOGW-OAHLLOKOSA-N 1 1 345.447 0.816 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000950855095 611947261 /nfs/dbraw/zinc/94/72/61/611947261.db2.gz YGSMYQARODJCED-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO N#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370335 611954383 /nfs/dbraw/zinc/95/43/83/611954383.db2.gz PWFASMBWFPOITK-HZPDHXFCSA-N 1 1 348.447 0.067 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000949388029 611960928 /nfs/dbraw/zinc/96/09/28/611960928.db2.gz YUOWBWLIKPNDCG-GFCCVEGCSA-N 1 1 347.419 0.864 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 ZINC000949470566 611991220 /nfs/dbraw/zinc/99/12/20/611991220.db2.gz DJWUFQSJJZNOIJ-QGZVFWFLSA-N 1 1 333.432 0.229 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 ZINC000949470566 611991222 /nfs/dbraw/zinc/99/12/22/611991222.db2.gz DJWUFQSJJZNOIJ-QGZVFWFLSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC000949472825 611992843 /nfs/dbraw/zinc/99/28/43/611992843.db2.gz ONZDFAGPBMZNJS-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC000949520251 612018861 /nfs/dbraw/zinc/01/88/61/612018861.db2.gz NEEFQXGRWAWZFN-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)Cn3cncn3)CC2)C1 ZINC000949523219 612019569 /nfs/dbraw/zinc/01/95/69/612019569.db2.gz HZOCRSUKSLTHMP-UHFFFAOYSA-N 1 1 333.436 0.938 20 30 ECEDMO CC#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000949529392 612022476 /nfs/dbraw/zinc/02/24/76/612022476.db2.gz RFWWRUMOAIGHJE-QGZVFWFLSA-N 1 1 349.475 0.424 20 30 ECEDMO CC#CCN1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000949529392 612022478 /nfs/dbraw/zinc/02/24/78/612022478.db2.gz RFWWRUMOAIGHJE-QGZVFWFLSA-N 1 1 349.475 0.424 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000950464929 612030422 /nfs/dbraw/zinc/03/04/22/612030422.db2.gz YOLCUHUZLJPYAG-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H](C)C(=O)N(C)C)C1 ZINC000950534483 612058430 /nfs/dbraw/zinc/05/84/30/612058430.db2.gz WUSFZZIHCUOZSA-HOCLYGCPSA-N 1 1 334.464 0.093 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H](C)C(=O)N(C)C)C1 ZINC000950534483 612058432 /nfs/dbraw/zinc/05/84/32/612058432.db2.gz WUSFZZIHCUOZSA-HOCLYGCPSA-N 1 1 334.464 0.093 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2=COCCC2)C1 ZINC000951223333 612087593 /nfs/dbraw/zinc/08/75/93/612087593.db2.gz DWUKELCGXIZUSZ-IRXDYDNUSA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C2=COCCC2)C1 ZINC000951223333 612087595 /nfs/dbraw/zinc/08/75/95/612087595.db2.gz DWUKELCGXIZUSZ-IRXDYDNUSA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccccn2)C1 ZINC000951223445 612088539 /nfs/dbraw/zinc/08/85/39/612088539.db2.gz HVPYNADXXKJNFJ-RDJZCZTQSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccccn2)C1 ZINC000951223445 612088541 /nfs/dbraw/zinc/08/85/41/612088541.db2.gz HVPYNADXXKJNFJ-RDJZCZTQSA-N 1 1 340.427 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cncn2C)C1 ZINC000951223823 612089208 /nfs/dbraw/zinc/08/92/08/612089208.db2.gz QNHJJGZGBIXQJT-CABCVRRESA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cncn2C)C1 ZINC000951223823 612089211 /nfs/dbraw/zinc/08/92/11/612089211.db2.gz QNHJJGZGBIXQJT-CABCVRRESA-N 1 1 343.431 0.239 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC000952784183 612100161 /nfs/dbraw/zinc/10/01/61/612100161.db2.gz DLHQDFJMHSLXSE-HRCADAONSA-N 1 1 348.447 0.460 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000952034655 612193880 /nfs/dbraw/zinc/19/38/80/612193880.db2.gz OJIDSZUSDCQRCC-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000951382057 612196671 /nfs/dbraw/zinc/19/66/71/612196671.db2.gz SEFQWLITOACSEG-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1)C2 ZINC000952152565 612251489 /nfs/dbraw/zinc/25/14/89/612251489.db2.gz JPPIBSFUMCAHQL-JKSUJKDBSA-N 1 1 340.427 0.884 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000952219625 612296957 /nfs/dbraw/zinc/29/69/57/612296957.db2.gz ZETFPEWCNMLYCL-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000953907049 612427086 /nfs/dbraw/zinc/42/70/86/612427086.db2.gz VSRJBPXBSSONLV-JYJNAYRXSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)COC ZINC000952479488 612453445 /nfs/dbraw/zinc/45/34/45/612453445.db2.gz FFJAYNMLRZHZPN-PMPSAXMXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)COC ZINC000952479488 612453449 /nfs/dbraw/zinc/45/34/49/612453449.db2.gz FFJAYNMLRZHZPN-PMPSAXMXSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccoc2C)C1 ZINC000954630832 612468586 /nfs/dbraw/zinc/46/85/86/612468586.db2.gz LIRSOLAFMGYKSI-INIZCTEOSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccoc2C)C1 ZINC000954630832 612468588 /nfs/dbraw/zinc/46/85/88/612468588.db2.gz LIRSOLAFMGYKSI-INIZCTEOSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CCCOC2)C1 ZINC000954632394 612472091 /nfs/dbraw/zinc/47/20/91/612472091.db2.gz WPLWNWRTYMNIDS-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CCCOC2)C1 ZINC000954632394 612472096 /nfs/dbraw/zinc/47/20/96/612472096.db2.gz WPLWNWRTYMNIDS-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000955353244 612486982 /nfs/dbraw/zinc/48/69/82/612486982.db2.gz ZJSNULYPDYFRAK-XHDPSFHLSA-N 1 1 329.404 0.367 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000955366517 612503782 /nfs/dbraw/zinc/50/37/82/612503782.db2.gz SGVGGMZEPICYCM-IMJJTQAJSA-N 1 1 335.448 0.731 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000955367547 612504695 /nfs/dbraw/zinc/50/46/95/612504695.db2.gz QNMAZESVVXRLHU-PMPSAXMXSA-N 1 1 335.448 0.731 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000953990481 612528349 /nfs/dbraw/zinc/52/83/49/612528349.db2.gz XPGUAEZFCBIQEA-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000954706388 612574097 /nfs/dbraw/zinc/57/40/97/612574097.db2.gz LNUUZPZAINQCOC-SJORKVTESA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnn(C)c2C)C1 ZINC000953746136 612580365 /nfs/dbraw/zinc/58/03/65/612580365.db2.gz AZMLLOQAUSKZFZ-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnn(C)c2C)C1 ZINC000953746136 612580367 /nfs/dbraw/zinc/58/03/67/612580367.db2.gz AZMLLOQAUSKZFZ-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956838967 612609375 /nfs/dbraw/zinc/60/93/75/612609375.db2.gz VWNCLBSIQQOLCA-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC000956019492 612616955 /nfs/dbraw/zinc/61/69/55/612616955.db2.gz HIQBCYILPPPECB-KGLIPLIRSA-N 1 1 346.435 0.137 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000954105428 612667490 /nfs/dbraw/zinc/66/74/90/612667490.db2.gz GUANWFIELOJGGP-OAHLLOKOSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(OC)no2)C1 ZINC000954106887 612669648 /nfs/dbraw/zinc/66/96/48/612669648.db2.gz MTMOYQMVDQSQSU-ZDUSSCGKSA-N 1 1 346.387 0.064 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(OC)no2)C1 ZINC000954106887 612669651 /nfs/dbraw/zinc/66/96/51/612669651.db2.gz MTMOYQMVDQSQSU-ZDUSSCGKSA-N 1 1 346.387 0.064 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cc(F)c[nH]1 ZINC000956105415 612710909 /nfs/dbraw/zinc/71/09/09/612710909.db2.gz OXQDJSNYHOTPSY-HOCLYGCPSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cc(F)c[nH]1 ZINC000956105415 612710910 /nfs/dbraw/zinc/71/09/10/612710910.db2.gz OXQDJSNYHOTPSY-HOCLYGCPSA-N 1 1 346.406 0.972 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000956935185 612718139 /nfs/dbraw/zinc/71/81/39/612718139.db2.gz QRXALIYRHIVIQH-BEFAXECRSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956935480 612718650 /nfs/dbraw/zinc/71/86/50/612718650.db2.gz VOCHHFZWABYOEN-SJCJKPOMSA-N 1 1 329.404 0.559 20 30 ECEDMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954834648 612727366 /nfs/dbraw/zinc/72/73/66/612727366.db2.gz FMIMDNYOTGSRFF-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954319347 612848693 /nfs/dbraw/zinc/84/86/93/612848693.db2.gz IODPCGOIXXLDES-KBMXLJTQSA-N 1 1 335.448 0.589 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954405308 612894615 /nfs/dbraw/zinc/89/46/15/612894615.db2.gz PAGUHPLKWQJGHY-BMFZPTHFSA-N 1 1 335.448 0.589 20 30 ECEDMO Cc1ncc(C#N)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737595 720672229 /nfs/dbraw/zinc/67/22/29/720672229.db2.gz GLTQBOOTOHFFSA-GJZGRUSLSA-N 1 1 337.387 0.789 20 30 ECEDMO Cc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cnc1C#N ZINC001164747082 720745407 /nfs/dbraw/zinc/74/54/07/720745407.db2.gz ZWFAQHGNSCQRHK-ZIAGYGMSSA-N 1 1 337.387 0.789 20 30 ECEDMO N#CCc1cncc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737498 720746164 /nfs/dbraw/zinc/74/61/64/720746164.db2.gz BZJASCUEGFQOAF-CABCVRRESA-N 1 1 337.387 0.675 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3cnc(C#N)c(C#N)n3)CC[C@H]2C1 ZINC001164853784 720879973 /nfs/dbraw/zinc/87/99/73/720879973.db2.gz CTSSURGWARGHSP-XJKSGUPXSA-N 1 1 342.403 0.393 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000971952653 735436526 /nfs/dbraw/zinc/43/65/26/735436526.db2.gz KXPYAUPKSIBEJD-AWEZNQCLSA-N 1 1 329.466 0.521 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNc1cc(CC)[nH+]c(C)n1 ZINC001104531807 738443133 /nfs/dbraw/zinc/44/31/33/738443133.db2.gz YBXLUGQWEWJMQX-LBPRGKRZSA-N 1 1 331.420 0.746 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001104537101 738446338 /nfs/dbraw/zinc/44/63/38/738446338.db2.gz APBWZLUJBWSCSW-TZMCWYRMSA-N 1 1 332.408 0.246 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001104537101 738446339 /nfs/dbraw/zinc/44/63/39/738446339.db2.gz APBWZLUJBWSCSW-TZMCWYRMSA-N 1 1 332.408 0.246 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)c[nH]1 ZINC001087348924 738524310 /nfs/dbraw/zinc/52/43/10/738524310.db2.gz BRZARQURPHSIDK-HPEDKQMDSA-N 1 1 327.388 0.154 20 30 ECEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000969151221 731527175 /nfs/dbraw/zinc/52/71/75/731527175.db2.gz UDRGVEAHHVRFES-ZIAGYGMSSA-N 1 1 329.466 0.615 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001069977993 790270521 /nfs/dbraw/zinc/27/05/21/790270521.db2.gz QLSCVUKBBQDGFH-XHSDSOJGSA-N 1 1 345.447 0.848 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC000969252222 731646262 /nfs/dbraw/zinc/64/62/62/731646262.db2.gz PDCVSSUKUNGSDK-BBRMVZONSA-N 1 1 344.415 0.157 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001211497985 731738278 /nfs/dbraw/zinc/73/82/78/731738278.db2.gz WLCTVSACZINXGI-RHSMWYFYSA-N 1 1 342.443 0.624 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001211497985 731738280 /nfs/dbraw/zinc/73/82/80/731738280.db2.gz WLCTVSACZINXGI-RHSMWYFYSA-N 1 1 342.443 0.624 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc4c3ncn4C)[C@H]2C1 ZINC001083188271 731764334 /nfs/dbraw/zinc/76/43/34/731764334.db2.gz MIIFYVCLECYOCV-UONOGXRCSA-N 1 1 327.388 0.680 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc4c3ncn4C)[C@H]2C1 ZINC001083188271 731764335 /nfs/dbraw/zinc/76/43/35/731764335.db2.gz MIIFYVCLECYOCV-UONOGXRCSA-N 1 1 327.388 0.680 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973009817 738540971 /nfs/dbraw/zinc/54/09/71/738540971.db2.gz KPHVZXXJQSRBEL-SMDDNHRTSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973009817 738540973 /nfs/dbraw/zinc/54/09/73/738540973.db2.gz KPHVZXXJQSRBEL-SMDDNHRTSA-N 1 1 331.420 0.803 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cnn(CC)c3)C2)C1=O ZINC000969418647 731842260 /nfs/dbraw/zinc/84/22/60/731842260.db2.gz UMNILMCPMYLKJK-XJKSGUPXSA-N 1 1 345.447 0.740 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000969440417 731880436 /nfs/dbraw/zinc/88/04/36/731880436.db2.gz GKUIKZUXHIOQIT-WBMJQRKESA-N 1 1 348.472 0.887 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001041809129 782246490 /nfs/dbraw/zinc/24/64/90/782246490.db2.gz WLBLDFXNPFVYLT-DAXOMENPSA-N 1 1 343.431 0.533 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001041809129 782246498 /nfs/dbraw/zinc/24/64/98/782246498.db2.gz WLBLDFXNPFVYLT-DAXOMENPSA-N 1 1 343.431 0.533 20 30 ECEDMO CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000969515203 731935922 /nfs/dbraw/zinc/93/59/22/731935922.db2.gz YBOXIWZEDAWKOC-IAQYHMDHSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000969693467 732052598 /nfs/dbraw/zinc/05/25/98/732052598.db2.gz ULUSDALGBRBFEX-MAZHCROVSA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cn(C)cn3)C(C)(C)C2)C1=O ZINC000973035119 738568042 /nfs/dbraw/zinc/56/80/42/738568042.db2.gz XCOJXSBKUZDTTI-LSDHHAIUSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cn(C)cn3)C(C)(C)C2)C1=O ZINC000973035119 738568043 /nfs/dbraw/zinc/56/80/43/738568043.db2.gz XCOJXSBKUZDTTI-LSDHHAIUSA-N 1 1 345.447 0.647 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCn1cncn1 ZINC001087356957 738576308 /nfs/dbraw/zinc/57/63/08/738576308.db2.gz IUTMAMQEMPNZFJ-FJIDUMEYSA-N 1 1 339.443 0.860 20 30 ECEDMO CC1(C)C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973048523 738581553 /nfs/dbraw/zinc/58/15/53/738581553.db2.gz SLAUXCLVICYNEM-STQMWFEESA-N 1 1 343.387 0.132 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973048523 738581556 /nfs/dbraw/zinc/58/15/56/738581556.db2.gz SLAUXCLVICYNEM-STQMWFEESA-N 1 1 343.387 0.132 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041811365 782251674 /nfs/dbraw/zinc/25/16/74/782251674.db2.gz NKRKNZBNNQEUJU-SJLPKXTDSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(CC(=O)N(C)C2CC2)C1 ZINC000969865463 732461664 /nfs/dbraw/zinc/46/16/64/732461664.db2.gz ORCIBEGBYPWTRM-YOEHRIQHSA-N 1 1 346.475 0.141 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(CC(=O)N(C)C2CC2)C1 ZINC000969865463 732461666 /nfs/dbraw/zinc/46/16/66/732461666.db2.gz ORCIBEGBYPWTRM-YOEHRIQHSA-N 1 1 346.475 0.141 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000969865463 732461672 /nfs/dbraw/zinc/46/16/72/732461672.db2.gz ORCIBEGBYPWTRM-YOEHRIQHSA-N 1 1 346.475 0.141 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1cc(C)[nH+]c(C)n1 ZINC001125310258 732536996 /nfs/dbraw/zinc/53/69/96/732536996.db2.gz URJNUOLGUGCSOH-OAGGEKHMSA-N 1 1 348.447 0.940 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)C1 ZINC001041819674 782268397 /nfs/dbraw/zinc/26/83/97/782268397.db2.gz JBSYFOXUPQWUQV-SFHVURJKSA-N 1 1 336.399 0.834 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@H]2C1 ZINC001083194461 732750965 /nfs/dbraw/zinc/75/09/65/732750965.db2.gz PLOQVOVHCYYLPL-FXUDXRNXSA-N 1 1 335.448 0.766 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cn(C)nn2)nn1 ZINC001025108412 738660921 /nfs/dbraw/zinc/66/09/21/738660921.db2.gz ZHXOQHCHOSXCDA-CQSZACIVSA-N 1 1 344.423 0.377 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ccncc1C#N)C(=O)C[N@@H+](C)C1CCC1 ZINC001125322169 733001494 /nfs/dbraw/zinc/00/14/94/733001494.db2.gz UQEVCKXSGGMYNZ-INIZCTEOSA-N 1 1 345.447 0.693 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@](C)(NC(C)=O)C2CC2)CC1 ZINC001098530899 733028314 /nfs/dbraw/zinc/02/83/14/733028314.db2.gz SPHFLZLCTKUIGR-GOSISDBHSA-N 1 1 335.448 0.210 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CNc2nccnc2C#N)C(C)(C)C)C1 ZINC001125828842 738684332 /nfs/dbraw/zinc/68/43/32/738684332.db2.gz XJJGNJOJJWHJLD-KGLIPLIRSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CNc2nccnc2C#N)C(C)(C)C)C1 ZINC001125828842 738684334 /nfs/dbraw/zinc/68/43/34/738684334.db2.gz XJJGNJOJJWHJLD-KGLIPLIRSA-N 1 1 346.435 0.622 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CCCO)C3)C2)CC1 ZINC001041842718 782323846 /nfs/dbraw/zinc/32/38/46/782323846.db2.gz AVWRFKBNCBDHKL-IBGZPJMESA-N 1 1 333.476 0.638 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@]3(CC[N@H+](CCCO)C3)C2)CC1 ZINC001041842718 782323852 /nfs/dbraw/zinc/32/38/52/782323852.db2.gz AVWRFKBNCBDHKL-IBGZPJMESA-N 1 1 333.476 0.638 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C(C)C)[nH]3)C2)nn1 ZINC000970205893 733200121 /nfs/dbraw/zinc/20/01/21/733200121.db2.gz PLGHJMSYUPXDLY-GFCCVEGCSA-N 1 1 344.423 0.710 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCCNC3=O)C2)cc1 ZINC000970254857 733261895 /nfs/dbraw/zinc/26/18/95/733261895.db2.gz DJZHQKXDSZYLFZ-CXAGYDPISA-N 1 1 325.412 0.997 20 30 ECEDMO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)n1 ZINC000970258047 733266668 /nfs/dbraw/zinc/26/66/68/733266668.db2.gz ZSVMHPUGLURPRO-CQSZACIVSA-N 1 1 328.351 0.830 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2O)C1 ZINC000970403503 733475881 /nfs/dbraw/zinc/47/58/81/733475881.db2.gz WKMXFWYYELSLIR-KGLIPLIRSA-N 1 1 332.404 0.236 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1cncc(C#N)n1 ZINC001104269918 733537807 /nfs/dbraw/zinc/53/78/07/733537807.db2.gz JIPKTZHXUQXCQD-OUCADQQQSA-N 1 1 332.408 0.232 20 30 ECEDMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1cncc(C#N)n1 ZINC001104269918 733537811 /nfs/dbraw/zinc/53/78/11/733537811.db2.gz JIPKTZHXUQXCQD-OUCADQQQSA-N 1 1 332.408 0.232 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)CCOCC)CC2)cn1 ZINC001098537282 733579100 /nfs/dbraw/zinc/57/91/00/733579100.db2.gz WYAGCSYLHAIGPH-UHFFFAOYSA-N 1 1 345.443 0.998 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC000970543752 733660295 /nfs/dbraw/zinc/66/02/95/733660295.db2.gz ACVVBDDZUPGBRF-NWDGAFQWSA-N 1 1 346.435 0.181 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCCC3)C2)nn1 ZINC000970543920 733660411 /nfs/dbraw/zinc/66/04/11/733660411.db2.gz DIQOAKAWFLWRHE-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCCN(C)C3=O)C2)nn1 ZINC000970544446 733661806 /nfs/dbraw/zinc/66/18/06/733661806.db2.gz MSOUBSXYOARSLS-WFASDCNBSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3oncc3C)C2)C1=O ZINC000970680646 733817614 /nfs/dbraw/zinc/81/76/14/733817614.db2.gz AVNPMCDVVLKZFK-JSGCOSHPSA-N 1 1 332.404 0.820 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N(C)C3CC3)C2)cn1 ZINC000970752956 733912690 /nfs/dbraw/zinc/91/26/90/733912690.db2.gz DWTMYGIGXRUMMW-CYBMUJFWSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCOCC2=O)C1 ZINC001039212529 733934739 /nfs/dbraw/zinc/93/47/39/733934739.db2.gz GYICDIBQNVOHJD-HZPDHXFCSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC000971020555 734186516 /nfs/dbraw/zinc/18/65/16/734186516.db2.gz LVTARLHQIPKQBR-OCCSQVGLSA-N 1 1 345.403 0.115 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971043288 734203903 /nfs/dbraw/zinc/20/39/03/734203903.db2.gz BBIJAGYPDXJPAC-HNNXBMFYSA-N 1 1 325.376 0.278 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971043288 734203907 /nfs/dbraw/zinc/20/39/07/734203907.db2.gz BBIJAGYPDXJPAC-HNNXBMFYSA-N 1 1 325.376 0.278 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 ZINC001104318996 734286623 /nfs/dbraw/zinc/28/66/23/734286623.db2.gz YENBNGSGPCSSCD-CYBMUJFWSA-N 1 1 332.408 0.010 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 ZINC001104323209 734302843 /nfs/dbraw/zinc/30/28/43/734302843.db2.gz LAGGPTNIRIFBRT-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2Cc3cccnc3C2)CC1 ZINC001098547823 734307302 /nfs/dbraw/zinc/30/73/02/734307302.db2.gz JRXOWSQQPKJTKH-INIZCTEOSA-N 1 1 327.428 0.715 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)CC1 ZINC001098547835 734307350 /nfs/dbraw/zinc/30/73/50/734307350.db2.gz KGUWPYMUCPUZAZ-INIZCTEOSA-N 1 1 337.464 0.716 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cnns3)C2)C1=O ZINC000971147923 734319493 /nfs/dbraw/zinc/31/94/93/734319493.db2.gz WOXZDDZQZAEPND-NWDGAFQWSA-N 1 1 335.433 0.471 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cc(C)cn3)C2)C1=O ZINC000971163149 734330283 /nfs/dbraw/zinc/33/02/83/734330283.db2.gz SYGFWAABMQXWKE-HZPDHXFCSA-N 1 1 345.447 0.511 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC)c(OC)c2)C1 ZINC001078163362 782408090 /nfs/dbraw/zinc/40/80/90/782408090.db2.gz JROHGLFOTXIEKE-HUUCEWRRSA-N 1 1 332.400 0.892 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC)c(OC)c2)C1 ZINC001078163362 782408092 /nfs/dbraw/zinc/40/80/92/782408092.db2.gz JROHGLFOTXIEKE-HUUCEWRRSA-N 1 1 332.400 0.892 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 ZINC001104329050 734349078 /nfs/dbraw/zinc/34/90/78/734349078.db2.gz UFJYAIOEVGXSPP-AWEZNQCLSA-N 1 1 332.408 0.011 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CSC)[C@@H]2C1 ZINC000971237844 734385945 /nfs/dbraw/zinc/38/59/45/734385945.db2.gz JNOCAAZTTNZIIF-QLFBSQMISA-N 1 1 335.473 0.506 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CSC)[C@@H]2C1 ZINC000971237844 734385950 /nfs/dbraw/zinc/38/59/50/734385950.db2.gz JNOCAAZTTNZIIF-QLFBSQMISA-N 1 1 335.473 0.506 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104334919 734395628 /nfs/dbraw/zinc/39/56/28/734395628.db2.gz QYIRYMZWQQWKHB-MRXNPFEDSA-N 1 1 340.387 0.480 20 30 ECEDMO CN1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3C#N)C2)C1 ZINC000971267616 734410425 /nfs/dbraw/zinc/41/04/25/734410425.db2.gz OPTOEYUFIPDKDF-QZTJIDSGSA-N 1 1 342.443 0.922 20 30 ECEDMO CN1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3C#N)C2)C1 ZINC000971267616 734410428 /nfs/dbraw/zinc/41/04/28/734410428.db2.gz OPTOEYUFIPDKDF-QZTJIDSGSA-N 1 1 342.443 0.922 20 30 ECEDMO CN1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)C1 ZINC000971272702 734415391 /nfs/dbraw/zinc/41/53/91/734415391.db2.gz YOEOLNJANZUDAI-ROUUACIJSA-N 1 1 342.443 0.922 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H](C)C3)[C@H]2C1 ZINC001083216372 734464597 /nfs/dbraw/zinc/46/45/97/734464597.db2.gz WZXBZKZWIRZZBC-OWCLPIDISA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H](C)C3)[C@H]2C1 ZINC001083216372 734464600 /nfs/dbraw/zinc/46/46/00/734464600.db2.gz WZXBZKZWIRZZBC-OWCLPIDISA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC000971376209 734488144 /nfs/dbraw/zinc/48/81/44/734488144.db2.gz JDKUYQYEILISSJ-CVEARBPZSA-N 1 1 341.415 0.820 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104350481 734527395 /nfs/dbraw/zinc/52/73/95/734527395.db2.gz XXHZZKUQFBOOLJ-HOCLYGCPSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@H](C)F)C[C@@H]32)nn1 ZINC001083218049 734568364 /nfs/dbraw/zinc/56/83/64/734568364.db2.gz ZDCLZVWWGQDMRN-AEGPPILISA-N 1 1 337.399 0.737 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC001083221502 734815024 /nfs/dbraw/zinc/81/50/24/734815024.db2.gz FCFMFGXCRRCXHO-OKZBNKHCSA-N 1 1 347.459 0.712 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC001083221502 734815029 /nfs/dbraw/zinc/81/50/29/734815029.db2.gz FCFMFGXCRRCXHO-OKZBNKHCSA-N 1 1 347.459 0.712 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)C1 ZINC000971651894 734880884 /nfs/dbraw/zinc/88/08/84/734880884.db2.gz IIYOBRKUBWOROV-BZUAXINKSA-N 1 1 347.459 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)C1 ZINC000971651894 734880887 /nfs/dbraw/zinc/88/08/87/734880887.db2.gz IIYOBRKUBWOROV-BZUAXINKSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nnc(C)o2)C1 ZINC000971703219 734964068 /nfs/dbraw/zinc/96/40/68/734964068.db2.gz AMYFNNDKAQADIH-CABCVRRESA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nnc(C)o2)C1 ZINC000971703219 734964072 /nfs/dbraw/zinc/96/40/72/734964072.db2.gz AMYFNNDKAQADIH-CABCVRRESA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nccc(C)n2)C1 ZINC000971703314 734964503 /nfs/dbraw/zinc/96/45/03/734964503.db2.gz CUBKHJMPWBRBJE-SJORKVTESA-N 1 1 341.459 0.915 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nccc(C)n2)C1 ZINC000971703314 734964505 /nfs/dbraw/zinc/96/45/05/734964505.db2.gz CUBKHJMPWBRBJE-SJORKVTESA-N 1 1 341.459 0.915 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000973180404 738871459 /nfs/dbraw/zinc/87/14/59/738871459.db2.gz BOGWRCLFJGFRMK-UBHSHLNASA-N 1 1 329.404 0.605 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)C1=O ZINC000971755593 735028627 /nfs/dbraw/zinc/02/86/27/735028627.db2.gz BJTIJSXUSXCIDM-TZMCWYRMSA-N 1 1 345.403 0.115 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001078190916 782466156 /nfs/dbraw/zinc/46/61/56/782466156.db2.gz JJVUCTIBSQBTIU-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000971813863 735114062 /nfs/dbraw/zinc/11/40/62/735114062.db2.gz PFKUUXAXFYYXBL-LBPRGKRZSA-N 1 1 327.406 0.649 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817967 735123503 /nfs/dbraw/zinc/12/35/03/735123503.db2.gz LKCCYASIYTVARP-NEPJUHHUSA-N 1 1 339.827 0.831 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817967 735123507 /nfs/dbraw/zinc/12/35/07/735123507.db2.gz LKCCYASIYTVARP-NEPJUHHUSA-N 1 1 339.827 0.831 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCC=C)C2 ZINC001111490268 735251560 /nfs/dbraw/zinc/25/15/60/735251560.db2.gz ZPIOVFZKOUHFES-FPCVCCKLSA-N 1 1 333.432 0.439 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCC=C)C2 ZINC001111490268 735251564 /nfs/dbraw/zinc/25/15/64/735251564.db2.gz ZPIOVFZKOUHFES-FPCVCCKLSA-N 1 1 333.432 0.439 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC000972086697 735626003 /nfs/dbraw/zinc/62/60/03/735626003.db2.gz VHFXLOWXLGQXHS-USXIJHARSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000987931329 751349364 /nfs/dbraw/zinc/34/93/64/751349364.db2.gz NYVQZSMXXTWJFS-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000987931329 751349372 /nfs/dbraw/zinc/34/93/72/751349372.db2.gz NYVQZSMXXTWJFS-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cn([C@@H]4CCOC4)nn3)[C@H]2C1 ZINC001083243049 735674375 /nfs/dbraw/zinc/67/43/75/735674375.db2.gz KFOZVKMIOMRQIJ-VNQPRFMTSA-N 1 1 347.419 0.341 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972198432 735777682 /nfs/dbraw/zinc/77/76/82/735777682.db2.gz GXCLWOMNVDOFGF-HIFRSBDPSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972198432 735777685 /nfs/dbraw/zinc/77/76/85/735777685.db2.gz GXCLWOMNVDOFGF-HIFRSBDPSA-N 1 1 345.378 0.411 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC001098566879 735863764 /nfs/dbraw/zinc/86/37/64/735863764.db2.gz SRHDXCADAVZKNS-CQSZACIVSA-N 1 1 330.432 0.433 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@H]2CCOC2)CCO3)c1 ZINC000972318794 735938664 /nfs/dbraw/zinc/93/86/64/735938664.db2.gz GUTDJJLPHYZCII-KDOFPFPSSA-N 1 1 344.415 0.840 20 30 ECEDMO COC[C@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972340278 735971470 /nfs/dbraw/zinc/97/14/70/735971470.db2.gz VWMKYAUPSKEAFA-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO COC[C@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972340278 735971473 /nfs/dbraw/zinc/97/14/73/735971473.db2.gz VWMKYAUPSKEAFA-GUYCJALGSA-N 1 1 332.404 0.838 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCOC)nn3)C2)C1 ZINC000972375188 736039443 /nfs/dbraw/zinc/03/94/43/736039443.db2.gz VKISYPSIQXKNGQ-KRWDZBQOSA-N 1 1 349.435 0.418 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C)nn3)[C@H]2C1 ZINC001083250799 736085565 /nfs/dbraw/zinc/08/55/65/736085565.db2.gz LIAQWMYQFMIOJF-LSDHHAIUSA-N 1 1 329.404 0.091 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C)nn3)[C@H]2C1 ZINC001083250799 736085569 /nfs/dbraw/zinc/08/55/69/736085569.db2.gz LIAQWMYQFMIOJF-LSDHHAIUSA-N 1 1 329.404 0.091 20 30 ECEDMO C=CCN1CCO[C@@]2(CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000972409065 736140908 /nfs/dbraw/zinc/14/09/08/736140908.db2.gz NXIUHXDCLZDIBI-WMZOPIPTSA-N 1 1 347.463 0.303 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C(=O)CCC)CC1 ZINC001098571000 736151677 /nfs/dbraw/zinc/15/16/77/736151677.db2.gz LFTMPGHELLGWMW-KRWDZBQOSA-N 1 1 349.475 0.696 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)N2CCCCC2=O)CC1 ZINC001098571098 736156686 /nfs/dbraw/zinc/15/66/86/736156686.db2.gz MYBAEONUONSPGG-OAHLLOKOSA-N 1 1 335.448 0.306 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)CC[N@H+]1C ZINC000972419876 736161060 /nfs/dbraw/zinc/16/10/60/736161060.db2.gz SMESHCOKAOOBBU-MWQQHZPXSA-N 1 1 329.444 0.799 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972420702 736163604 /nfs/dbraw/zinc/16/36/04/736163604.db2.gz ATGJYYJSYUMOCU-MSOLQXFVSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)C1=O ZINC000972434593 736185987 /nfs/dbraw/zinc/18/59/87/736185987.db2.gz XPUMCCSGWJWCPP-CABCVRRESA-N 1 1 331.420 0.272 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ncnc4[nH]ccc43)C2)C1 ZINC000972448942 736225362 /nfs/dbraw/zinc/22/53/62/736225362.db2.gz DMPXLDZUAYTFHL-SFHVURJKSA-N 1 1 339.399 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncnc4[nH]ccc43)C2)C1 ZINC000972448942 736225366 /nfs/dbraw/zinc/22/53/66/736225366.db2.gz DMPXLDZUAYTFHL-SFHVURJKSA-N 1 1 339.399 0.850 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000972452923 736236037 /nfs/dbraw/zinc/23/60/37/736236037.db2.gz UXGVZPBTJSVBRN-BRWVUGGUSA-N 1 1 345.443 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000972452923 736236040 /nfs/dbraw/zinc/23/60/40/736236040.db2.gz UXGVZPBTJSVBRN-BRWVUGGUSA-N 1 1 345.443 0.180 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972454096 736238344 /nfs/dbraw/zinc/23/83/44/736238344.db2.gz UMCSCBWJPQZSJR-GOSISDBHSA-N 1 1 346.431 0.617 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972454096 736238346 /nfs/dbraw/zinc/23/83/46/736238346.db2.gz UMCSCBWJPQZSJR-GOSISDBHSA-N 1 1 346.431 0.617 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001114949203 736276816 /nfs/dbraw/zinc/27/68/16/736276816.db2.gz JOBUSFBBZMHFBG-DTJSUFBGSA-N 1 1 349.475 0.929 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001114949203 736276821 /nfs/dbraw/zinc/27/68/21/736276821.db2.gz JOBUSFBBZMHFBG-DTJSUFBGSA-N 1 1 349.475 0.929 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000972473691 736289138 /nfs/dbraw/zinc/28/91/38/736289138.db2.gz DUDIZQCIENFNLY-MPTZMVSHSA-N 1 1 330.428 0.736 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000972473691 736289141 /nfs/dbraw/zinc/28/91/41/736289141.db2.gz DUDIZQCIENFNLY-MPTZMVSHSA-N 1 1 330.428 0.736 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000972480045 736304376 /nfs/dbraw/zinc/30/43/76/736304376.db2.gz GNNSULISXRQYBQ-MSOLQXFVSA-N 1 1 335.448 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)cn1 ZINC001022992337 736368857 /nfs/dbraw/zinc/36/88/57/736368857.db2.gz JNFQJKOWBLBDKP-HONMWMINSA-N 1 1 325.376 0.198 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cnc(C)nc3)C2)nn1 ZINC000972507015 736457898 /nfs/dbraw/zinc/45/78/98/736457898.db2.gz PAWVRAGRPJSIOJ-OAHLLOKOSA-N 1 1 341.419 0.909 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cnc(C)nc3)C2)nn1 ZINC000972507015 736457901 /nfs/dbraw/zinc/45/79/01/736457901.db2.gz PAWVRAGRPJSIOJ-OAHLLOKOSA-N 1 1 341.419 0.909 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3ccon3)C2)C1=O ZINC001023248514 736615627 /nfs/dbraw/zinc/61/56/27/736615627.db2.gz KODYQWDIWKPPQR-HIFRSBDPSA-N 1 1 332.404 0.903 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCOC)CCO3)c1 ZINC000972542893 736652875 /nfs/dbraw/zinc/65/28/75/736652875.db2.gz FONIHFJMBVHSJZ-SFHVURJKSA-N 1 1 329.400 0.626 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCOC)CCO3)c1 ZINC000972542893 736652877 /nfs/dbraw/zinc/65/28/77/736652877.db2.gz FONIHFJMBVHSJZ-SFHVURJKSA-N 1 1 329.400 0.626 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)c1 ZINC001023295632 736658496 /nfs/dbraw/zinc/65/84/96/736658496.db2.gz DNOCOWZCJIAWDE-ZDUSSCGKSA-N 1 1 344.419 0.353 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001023319082 736679109 /nfs/dbraw/zinc/67/91/09/736679109.db2.gz TVTZQPNBRPWPMP-SMDDNHRTSA-N 1 1 343.387 0.133 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318998 736679148 /nfs/dbraw/zinc/67/91/48/736679148.db2.gz QKOSNFBUHUZIOR-LBPRGKRZSA-N 1 1 338.433 0.373 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318998 736679155 /nfs/dbraw/zinc/67/91/55/736679155.db2.gz QKOSNFBUHUZIOR-LBPRGKRZSA-N 1 1 338.433 0.373 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 ZINC000972553273 736712611 /nfs/dbraw/zinc/71/26/11/736712611.db2.gz DDSQBVGPEQPBEC-QGZVFWFLSA-N 1 1 333.436 0.627 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 ZINC000972553273 736712615 /nfs/dbraw/zinc/71/26/15/736712615.db2.gz DDSQBVGPEQPBEC-QGZVFWFLSA-N 1 1 333.436 0.627 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972554527 736735240 /nfs/dbraw/zinc/73/52/40/736735240.db2.gz PVABTVQTBLIGNR-RVKKMQEKSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972554527 736735241 /nfs/dbraw/zinc/73/52/41/736735241.db2.gz PVABTVQTBLIGNR-RVKKMQEKSA-N 1 1 333.432 0.037 20 30 ECEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023367385 736744448 /nfs/dbraw/zinc/74/44/48/736744448.db2.gz YXAUQKXPIWVXQI-ZIAGYGMSSA-N 1 1 331.420 0.777 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000981967375 751374676 /nfs/dbraw/zinc/37/46/76/751374676.db2.gz VBVDCEFUOQSJAY-OAHLLOKOSA-N 1 1 341.459 0.868 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001023404302 736788008 /nfs/dbraw/zinc/78/80/08/736788008.db2.gz RTMXUCYLNACREN-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2nnc(C)[nH]2)C1 ZINC001023423646 736806144 /nfs/dbraw/zinc/80/61/44/736806144.db2.gz BSIBWQBEHJPVBM-CVEARBPZSA-N 1 1 344.463 0.539 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001006430462 751380251 /nfs/dbraw/zinc/38/02/51/751380251.db2.gz XYBQCOLHWRZODD-OAHLLOKOSA-N 1 1 343.855 0.909 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972586009 736975368 /nfs/dbraw/zinc/97/53/68/736975368.db2.gz SPJGJOZIOUTRSB-QGZVFWFLSA-N 1 1 348.451 0.676 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972586009 736975370 /nfs/dbraw/zinc/97/53/70/736975370.db2.gz SPJGJOZIOUTRSB-QGZVFWFLSA-N 1 1 348.451 0.676 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972608360 737088428 /nfs/dbraw/zinc/08/84/28/737088428.db2.gz SXYVVTKIKGBETD-GFCCVEGCSA-N 1 1 345.432 0.729 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C(C)C)nn3)C2)C1 ZINC000972617633 737108759 /nfs/dbraw/zinc/10/87/59/737108759.db2.gz RLISLNLFDGTCRK-KRWDZBQOSA-N 1 1 331.420 0.799 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C(C)C)nn3)C2)C1 ZINC000972617633 737108760 /nfs/dbraw/zinc/10/87/60/737108760.db2.gz RLISLNLFDGTCRK-KRWDZBQOSA-N 1 1 331.420 0.799 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001023640303 737128741 /nfs/dbraw/zinc/12/87/41/737128741.db2.gz CUDNYTOLWYCFEP-SFYCDEOASA-N 1 1 334.420 0.379 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)CCOCCOC)CC1 ZINC001098579787 737146645 /nfs/dbraw/zinc/14/66/45/737146645.db2.gz NXIMOSOOOPABIW-UHFFFAOYSA-N 1 1 328.453 0.901 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3nnc[nH]3)C2)C1=O ZINC001023655594 737155066 /nfs/dbraw/zinc/15/50/66/737155066.db2.gz KXFDSQOOEYHYLI-STQMWFEESA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](CNC(=O)c3ncn[nH]3)C2)C1=O ZINC001023655594 737155068 /nfs/dbraw/zinc/15/50/68/737155068.db2.gz KXFDSQOOEYHYLI-STQMWFEESA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3ncn[nH]3)C2)C1=O ZINC001023655594 737155070 /nfs/dbraw/zinc/15/50/70/737155070.db2.gz KXFDSQOOEYHYLI-STQMWFEESA-N 1 1 332.408 0.033 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001023674221 737178028 /nfs/dbraw/zinc/17/80/28/737178028.db2.gz MZDMJGCWHSYFIX-CABCVRRESA-N 1 1 331.420 0.390 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](CCOC)CCO3)nc1 ZINC000972639317 737202351 /nfs/dbraw/zinc/20/23/51/737202351.db2.gz RQBKNHBUOLERKX-GOSISDBHSA-N 1 1 329.400 0.626 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCOC)CCO3)nc1 ZINC000972639317 737202357 /nfs/dbraw/zinc/20/23/57/737202357.db2.gz RQBKNHBUOLERKX-GOSISDBHSA-N 1 1 329.400 0.626 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001023701889 737212102 /nfs/dbraw/zinc/21/21/02/737212102.db2.gz XMCFTLAZRCDQQD-ZDUSSCGKSA-N 1 1 327.388 0.900 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001023710131 737228763 /nfs/dbraw/zinc/22/87/63/737228763.db2.gz IIRVTELARJPSAY-PBHICJAKSA-N 1 1 340.427 0.783 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001023728649 737253751 /nfs/dbraw/zinc/25/37/51/737253751.db2.gz ALVNSYJUTCTILY-CQSZACIVSA-N 1 1 328.416 0.906 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972661214 737277058 /nfs/dbraw/zinc/27/70/58/737277058.db2.gz ZRLXKUSPLHWULN-YJBOKZPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972661214 737277061 /nfs/dbraw/zinc/27/70/61/737277061.db2.gz ZRLXKUSPLHWULN-YJBOKZPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC000972664442 737284577 /nfs/dbraw/zinc/28/45/77/737284577.db2.gz MPDKYNBWASQCFA-KRWDZBQOSA-N 1 1 332.404 0.273 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023753380 737299220 /nfs/dbraw/zinc/29/92/20/737299220.db2.gz DVEISIDWMCJGGN-RYUDHWBXSA-N 1 1 335.857 0.259 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023753380 737299224 /nfs/dbraw/zinc/29/92/24/737299224.db2.gz DVEISIDWMCJGGN-RYUDHWBXSA-N 1 1 335.857 0.259 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC000972667691 737305082 /nfs/dbraw/zinc/30/50/82/737305082.db2.gz RAELNMHKAACWMI-KRWDZBQOSA-N 1 1 345.403 0.069 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC000972667691 737305085 /nfs/dbraw/zinc/30/50/85/737305085.db2.gz RAELNMHKAACWMI-KRWDZBQOSA-N 1 1 345.403 0.069 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(CCC)n3)C2)C1 ZINC000972678932 737360049 /nfs/dbraw/zinc/36/00/49/737360049.db2.gz XRFNPFJZKNZBEA-SFHVURJKSA-N 1 1 346.431 0.756 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(CCC)n3)C2)C1 ZINC000972678932 737360053 /nfs/dbraw/zinc/36/00/53/737360053.db2.gz XRFNPFJZKNZBEA-SFHVURJKSA-N 1 1 346.431 0.756 20 30 ECEDMO C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682551 737370681 /nfs/dbraw/zinc/37/06/81/737370681.db2.gz GJDLUNOZIOXINI-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682551 737370686 /nfs/dbraw/zinc/37/06/86/737370686.db2.gz GJDLUNOZIOXINI-WMZOPIPTSA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CN(CC)CCO3)C2)C1 ZINC000972682869 737371750 /nfs/dbraw/zinc/37/17/50/737371750.db2.gz JCMXDHMESOQKBP-SJLPKXTDSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972694456 737402311 /nfs/dbraw/zinc/40/23/11/737402311.db2.gz CLMLOBPVXQRVIX-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972694456 737402313 /nfs/dbraw/zinc/40/23/13/737402313.db2.gz CLMLOBPVXQRVIX-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972694513 737403115 /nfs/dbraw/zinc/40/31/15/737403115.db2.gz CODBGQPIAWYICO-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](n2ccnn2)C1 ZINC001069993988 790288850 /nfs/dbraw/zinc/28/88/50/790288850.db2.gz YYFGSHIFCHDDQW-CABCVRRESA-N 1 1 329.408 0.931 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)NC(=O)C2CCC2)CC1 ZINC001098583962 737629677 /nfs/dbraw/zinc/62/96/77/737629677.db2.gz HBXNOBCKNAVLJX-OAHLLOKOSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cnsn3)C(C)(C)C2)C1=O ZINC000972832436 737763469 /nfs/dbraw/zinc/76/34/69/737763469.db2.gz HOLPSJAHRILISJ-STQMWFEESA-N 1 1 349.460 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cnsn3)C(C)(C)C2)C1=O ZINC000972832436 737763475 /nfs/dbraw/zinc/76/34/75/737763475.db2.gz HOLPSJAHRILISJ-STQMWFEESA-N 1 1 349.460 0.765 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ccn[nH]2)C1=O ZINC001024346873 737912421 /nfs/dbraw/zinc/91/24/21/737912421.db2.gz SZGVJJHAQQHHPU-ZFWWWQNUSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ccn[nH]2)C1=O ZINC001024346873 737912423 /nfs/dbraw/zinc/91/24/23/737912423.db2.gz SZGVJJHAQQHHPU-ZFWWWQNUSA-N 1 1 331.420 0.781 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NC2CC2)c1 ZINC001024379938 737936217 /nfs/dbraw/zinc/93/62/17/737936217.db2.gz DRLGVKDKEJLOSH-CQSZACIVSA-N 1 1 329.404 0.749 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NC2CC2)c1 ZINC001024379938 737936219 /nfs/dbraw/zinc/93/62/19/737936219.db2.gz DRLGVKDKEJLOSH-CQSZACIVSA-N 1 1 329.404 0.749 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCN2CCNC2=O)[nH]1 ZINC001024396966 737939417 /nfs/dbraw/zinc/93/94/17/737939417.db2.gz XMMMTWLOLDSORY-CQSZACIVSA-N 1 1 344.419 0.496 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccn(C)n1 ZINC001024486849 738014090 /nfs/dbraw/zinc/01/40/90/738014090.db2.gz KCHCLLXLWIMUJU-MSOLQXFVSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccn(C)n1 ZINC001024486849 738014093 /nfs/dbraw/zinc/01/40/93/738014093.db2.gz KCHCLLXLWIMUJU-MSOLQXFVSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1cnn(C)n1 ZINC001024488328 738015555 /nfs/dbraw/zinc/01/55/55/738015555.db2.gz XBJKCTWZBJIONT-SJORKVTESA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1cnn(C)n1 ZINC001024488328 738015558 /nfs/dbraw/zinc/01/55/58/738015558.db2.gz XBJKCTWZBJIONT-SJORKVTESA-N 1 1 344.463 0.383 20 30 ECEDMO C=CCC1(C(=O)N2CCC([N@H+](CCO)CC(N)=O)CC2)CCCC1 ZINC001098586702 738028905 /nfs/dbraw/zinc/02/89/05/738028905.db2.gz LPEIADCJUXFKQC-UHFFFAOYSA-N 1 1 337.464 0.894 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001024511663 738042485 /nfs/dbraw/zinc/04/24/85/738042485.db2.gz JDTZATWTGVQUSI-ZDUSSCGKSA-N 1 1 339.417 0.535 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001024511663 738042490 /nfs/dbraw/zinc/04/24/90/738042490.db2.gz JDTZATWTGVQUSI-ZDUSSCGKSA-N 1 1 339.417 0.535 20 30 ECEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001024567785 738115759 /nfs/dbraw/zinc/11/57/59/738115759.db2.gz IVEFTNFPXNPYTN-ZFWWWQNUSA-N 1 1 331.420 0.912 20 30 ECEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001024576313 738123048 /nfs/dbraw/zinc/12/30/48/738123048.db2.gz QYKYPXFGJDTUCP-IXDOHACOSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001024575125 738123707 /nfs/dbraw/zinc/12/37/07/738123707.db2.gz HTBVVKCPEUYWLA-GJZGRUSLSA-N 1 1 343.418 0.946 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001024581179 738127995 /nfs/dbraw/zinc/12/79/95/738127995.db2.gz DNIPCEZAOKTICX-ZDUSSCGKSA-N 1 1 344.423 0.854 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1ncn(C)c1=O ZINC001087291947 738133560 /nfs/dbraw/zinc/13/35/60/738133560.db2.gz CROZCWJZSFZFPA-VNQPRFMTSA-N 1 1 345.447 0.210 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@@H]21 ZINC001087298193 738156226 /nfs/dbraw/zinc/15/62/26/738156226.db2.gz AZBYPNYDTWAECO-KBRIMQKVSA-N 1 1 334.464 0.209 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)s1 ZINC001024626719 738178289 /nfs/dbraw/zinc/17/82/89/738178289.db2.gz GENFLTNFKKSBJW-SMDDNHRTSA-N 1 1 347.444 0.772 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)s1 ZINC001024626719 738178290 /nfs/dbraw/zinc/17/82/90/738178290.db2.gz GENFLTNFKKSBJW-SMDDNHRTSA-N 1 1 347.444 0.772 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001024622342 738179532 /nfs/dbraw/zinc/17/95/32/738179532.db2.gz VIQOBNGEXVVYOD-ZDUSSCGKSA-N 1 1 326.404 0.971 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001024704159 738231185 /nfs/dbraw/zinc/23/11/85/738231185.db2.gz HSMFFJITVHTBEK-CABCVRRESA-N 1 1 343.493 0.957 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnn(C)n2)C1=O ZINC001024706084 738233912 /nfs/dbraw/zinc/23/39/12/738233912.db2.gz RZHOPFOVXGCHMB-ZFWWWQNUSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnn(C)n2)C1=O ZINC001024706084 738233913 /nfs/dbraw/zinc/23/39/13/738233913.db2.gz RZHOPFOVXGCHMB-ZFWWWQNUSA-N 1 1 346.435 0.186 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ccncn2)C1=O ZINC001024718258 738247431 /nfs/dbraw/zinc/24/74/31/738247431.db2.gz OHNLYMKUFWXZID-GOEBONIOSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ccncn2)C1=O ZINC001024718258 738247435 /nfs/dbraw/zinc/24/74/35/738247435.db2.gz OHNLYMKUFWXZID-GOEBONIOSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3nc(C)ccc3=O)C(C)(C)[C@H]21 ZINC001087315056 738265500 /nfs/dbraw/zinc/26/55/00/738265500.db2.gz VTIQXIJEYWTBTO-JLSDUUJJSA-N 1 1 342.443 0.790 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001087316022 738270739 /nfs/dbraw/zinc/27/07/39/738270739.db2.gz LLMKFOYBYQJYIE-KWCYVHTRSA-N 1 1 346.431 0.891 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CCC3=O)C(C)(C)[C@@H]21 ZINC001087317485 738283821 /nfs/dbraw/zinc/28/38/21/738283821.db2.gz JATOAPBUVFFCRL-CSMYWGQOSA-N 1 1 331.416 0.374 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cn(CC(N)=O)nn3)C(C)(C)[C@H]21 ZINC001087317388 738284137 /nfs/dbraw/zinc/28/41/37/738284137.db2.gz HJTUWNRSXAQFBD-UGFHNGPFSA-N 1 1 346.435 0.168 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1C(=O)CNC1=O ZINC001087318264 738290095 /nfs/dbraw/zinc/29/00/95/738290095.db2.gz UMUZZGRBSPQOON-UHOFOFEASA-N 1 1 348.447 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001024799855 738310048 /nfs/dbraw/zinc/31/00/48/738310048.db2.gz QSLIEPZYJWTBQI-ZBFHGGJFSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001024799855 738310054 /nfs/dbraw/zinc/31/00/54/738310054.db2.gz QSLIEPZYJWTBQI-ZBFHGGJFSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)Cc2ccn[nH]2)C1=O ZINC001024909529 738387671 /nfs/dbraw/zinc/38/76/71/738387671.db2.gz IOIJGTQVYOLPBW-CVEARBPZSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c(C)ccn2C)C1 ZINC000973209993 738916763 /nfs/dbraw/zinc/91/67/63/738916763.db2.gz XEHCHQAGBMZFIF-JYJNAYRXSA-N 1 1 342.443 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c(C)ccn2C)C1 ZINC000973209993 738916765 /nfs/dbraw/zinc/91/67/65/738916765.db2.gz XEHCHQAGBMZFIF-JYJNAYRXSA-N 1 1 342.443 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc(=O)n(C)cn1 ZINC001025243235 738918703 /nfs/dbraw/zinc/91/87/03/738918703.db2.gz MZMJAHMSIKEMMU-HZPDHXFCSA-N 1 1 328.416 0.873 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025257209 738943416 /nfs/dbraw/zinc/94/34/16/738943416.db2.gz BQMIXFVDNYIUGR-HZPDHXFCSA-N 1 1 334.464 0.450 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N(C)C)cc1 ZINC001028183055 751401415 /nfs/dbraw/zinc/40/14/15/751401415.db2.gz LHKBOWRTEKCQSM-MRXNPFEDSA-N 1 1 343.427 0.981 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N(C)C)cc1 ZINC001028183055 751401419 /nfs/dbraw/zinc/40/14/19/751401419.db2.gz LHKBOWRTEKCQSM-MRXNPFEDSA-N 1 1 343.427 0.981 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025275803 738999738 /nfs/dbraw/zinc/99/97/38/738999738.db2.gz CEFBXIJIWRGQFG-KBPBESRZSA-N 1 1 334.420 0.570 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccncc2C#N)C1 ZINC001104578926 739009279 /nfs/dbraw/zinc/00/92/79/739009279.db2.gz GJRNPMGXGIYJSK-CZUORRHYSA-N 1 1 331.420 0.355 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ccncc2C#N)C1 ZINC001104578926 739009284 /nfs/dbraw/zinc/00/92/84/739009284.db2.gz GJRNPMGXGIYJSK-CZUORRHYSA-N 1 1 331.420 0.355 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025295896 739015984 /nfs/dbraw/zinc/01/59/84/739015984.db2.gz HPGQLQAYEHYGOK-LSDHHAIUSA-N 1 1 348.447 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1nc(C)n(C)c1=O ZINC001025298685 739019628 /nfs/dbraw/zinc/01/96/28/739019628.db2.gz YTVSBMLNIAXLRK-HZPDHXFCSA-N 1 1 345.447 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cn(C)c(=O)n1C ZINC001025300630 739021740 /nfs/dbraw/zinc/02/17/40/739021740.db2.gz DPPVUOARRXTENF-HUUCEWRRSA-N 1 1 330.432 0.816 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000973285357 739048107 /nfs/dbraw/zinc/04/81/07/739048107.db2.gz QFBPKUMMXHMSLY-MGPQQGTHSA-N 1 1 346.435 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC000973410728 739224020 /nfs/dbraw/zinc/22/40/20/739224020.db2.gz NGASTBXIDCTGFO-JYJNAYRXSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC000973410728 739224023 /nfs/dbraw/zinc/22/40/23/739224023.db2.gz NGASTBXIDCTGFO-JYJNAYRXSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC000973410845 739224818 /nfs/dbraw/zinc/22/48/18/739224818.db2.gz WNUDGFHQLZDICN-DZKIICNBSA-N 1 1 343.431 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC000973410845 739224821 /nfs/dbraw/zinc/22/48/21/739224821.db2.gz WNUDGFHQLZDICN-DZKIICNBSA-N 1 1 343.431 0.122 20 30 ECEDMO C[C@@H](CNc1ccc(C#N)nc1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104620989 739230698 /nfs/dbraw/zinc/23/06/98/739230698.db2.gz ATGJUXRWLONERB-AWEZNQCLSA-N 1 1 331.420 0.934 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)Cn1cnnn1 ZINC000988006870 751426408 /nfs/dbraw/zinc/42/64/08/751426408.db2.gz QQDKJBLJHZETFB-IAQYHMDHSA-N 1 1 343.366 0.463 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nc(C)c[nH]2)C1=O ZINC001028190927 751428075 /nfs/dbraw/zinc/42/80/75/751428075.db2.gz FQWARDBKOSAVEN-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nc(C)c[nH]2)C1=O ZINC001028190927 751428079 /nfs/dbraw/zinc/42/80/79/751428079.db2.gz FQWARDBKOSAVEN-ZIAGYGMSSA-N 1 1 331.420 0.699 20 30 ECEDMO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001104636688 739329542 /nfs/dbraw/zinc/32/95/42/739329542.db2.gz KEPXCRKWXBJTSN-DYVFJYSZSA-N 1 1 328.420 0.515 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001025389673 739353476 /nfs/dbraw/zinc/35/34/76/739353476.db2.gz YWUPUMNLLNJFOB-STQMWFEESA-N 1 1 331.420 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nc1 ZINC000973485020 739379275 /nfs/dbraw/zinc/37/92/75/739379275.db2.gz DCCKTWYBZIZVQQ-MIGQKNRLSA-N 1 1 340.427 0.638 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001025471082 739612818 /nfs/dbraw/zinc/61/28/18/739612818.db2.gz CIMZNOJLVJELKN-UONOGXRCSA-N 1 1 330.432 0.978 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2O)CC1 ZINC001025489285 739652261 /nfs/dbraw/zinc/65/22/61/739652261.db2.gz JSWKQCPRLZVIGA-USXIJHARSA-N 1 1 349.475 0.763 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2O)CC1 ZINC001025490591 739656814 /nfs/dbraw/zinc/65/68/14/739656814.db2.gz FRZWMPRUBWGAJY-DJIMGWMZSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2O)C1 ZINC001025520916 739689433 /nfs/dbraw/zinc/68/94/33/739689433.db2.gz ANUMYVLNRLGQEV-CAOSSQGBSA-N 1 1 349.475 0.761 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC(=O)NC)C2)c1 ZINC001025527898 739691122 /nfs/dbraw/zinc/69/11/22/739691122.db2.gz NJLUEZIYSJYNNR-UKRRQHHQSA-N 1 1 328.416 0.639 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)c1 ZINC001025529582 739692132 /nfs/dbraw/zinc/69/21/32/739692132.db2.gz CGHJGNMCPJELSF-ZBFHGGJFSA-N 1 1 342.443 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001025533632 739695829 /nfs/dbraw/zinc/69/58/29/739695829.db2.gz FVTURAIBIRHMCO-UONOGXRCSA-N 1 1 330.432 0.814 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2O)C1 ZINC001025542707 739703405 /nfs/dbraw/zinc/70/34/05/739703405.db2.gz XFZCQRVTIAKQBM-RRFJBIMHSA-N 1 1 335.448 0.515 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC(N)=O)C2)nn1 ZINC001025559797 739721202 /nfs/dbraw/zinc/72/12/02/739721202.db2.gz XAMVWEHIVVZGHI-QWHCGFSZSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2nc3ncccn3n2)C1 ZINC001025571231 739734607 /nfs/dbraw/zinc/73/46/07/739734607.db2.gz NLDWSNJLJLCYKV-ZIAGYGMSSA-N 1 1 326.404 0.978 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N(C)C)C2 ZINC000982023729 751487193 /nfs/dbraw/zinc/48/71/93/751487193.db2.gz TUMGDSIXFCXYNJ-CABCVRRESA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CCC(O)CC2)C1=O ZINC001025761269 739927439 /nfs/dbraw/zinc/92/74/39/739927439.db2.gz CQJIRUCILCMPNW-RMGMUHOQSA-N 1 1 347.459 0.371 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CCC[N@@H+]([C@@H](C)C(=O)NC)C3)nn1 ZINC000982057673 751538018 /nfs/dbraw/zinc/53/80/18/751538018.db2.gz FIFHCPJLJCNICK-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H](C)C(=O)NC)C3)nn1 ZINC000982057673 751538019 /nfs/dbraw/zinc/53/80/19/751538019.db2.gz FIFHCPJLJCNICK-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)n1 ZINC001026241820 740557374 /nfs/dbraw/zinc/55/73/74/740557374.db2.gz ARVBPXPFVNARID-WCFLWFBJSA-N 1 1 340.391 0.050 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000973959115 740670948 /nfs/dbraw/zinc/67/09/48/740670948.db2.gz OIYREYCAPWGKOI-XHSDSOJGSA-N 1 1 326.400 0.534 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000973995688 740747978 /nfs/dbraw/zinc/74/79/78/740747978.db2.gz YQVBOGOJAQUUMG-RUZUBIRVSA-N 1 1 329.404 0.604 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC000974011171 740769851 /nfs/dbraw/zinc/76/98/51/740769851.db2.gz ILLLLOPRXKZRTD-TWMKSMIVSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC000974011171 740769855 /nfs/dbraw/zinc/76/98/55/740769855.db2.gz ILLLLOPRXKZRTD-TWMKSMIVSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cccnc2)C1 ZINC000974034351 740810490 /nfs/dbraw/zinc/81/04/90/740810490.db2.gz IAFSAHUVOJFKDJ-BBWFWOEESA-N 1 1 340.427 0.485 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cccnc2)C1 ZINC000974034351 740810496 /nfs/dbraw/zinc/81/04/96/740810496.db2.gz IAFSAHUVOJFKDJ-BBWFWOEESA-N 1 1 340.427 0.485 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000974041529 740829965 /nfs/dbraw/zinc/82/99/65/740829965.db2.gz SYVLVUHPLZBRJN-KNCOVGOOSA-N 1 1 343.431 0.994 20 30 ECEDMO C#CCNC(=O)CC(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C)n1 ZINC001112062972 740909794 /nfs/dbraw/zinc/90/97/94/740909794.db2.gz GZSQBJCTJKVTQF-UHFFFAOYSA-N 1 1 331.420 0.518 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2cnco2)C1 ZINC000988154970 751591006 /nfs/dbraw/zinc/59/10/06/751591006.db2.gz AJCXEDXLTMWSSI-CABCVRRESA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)c2cnco2)C1 ZINC000988154970 751591010 /nfs/dbraw/zinc/59/10/10/751591010.db2.gz AJCXEDXLTMWSSI-CABCVRRESA-N 1 1 344.415 0.693 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000974150411 741019790 /nfs/dbraw/zinc/01/97/90/741019790.db2.gz JWOBFCXYMHTAOF-YESZJQIVSA-N 1 1 325.412 0.997 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001112071021 741151032 /nfs/dbraw/zinc/15/10/32/741151032.db2.gz OAFWOEOWZOTOJS-OPRDCNLKSA-N 1 1 341.355 0.170 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC000974248816 741170737 /nfs/dbraw/zinc/17/07/37/741170737.db2.gz IWGKTPCTBIBLEW-ZNMIVQPWSA-N 1 1 344.415 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC000974248816 741170740 /nfs/dbraw/zinc/17/07/40/741170740.db2.gz IWGKTPCTBIBLEW-ZNMIVQPWSA-N 1 1 344.415 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)N(C)C)C3)nc1 ZINC000982122786 751617665 /nfs/dbraw/zinc/61/76/65/751617665.db2.gz QWQUWDJBHCMGOH-UHFFFAOYSA-N 1 1 340.427 0.689 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)N(C)C)C3)nc1 ZINC000982122786 751617666 /nfs/dbraw/zinc/61/76/66/751617666.db2.gz QWQUWDJBHCMGOH-UHFFFAOYSA-N 1 1 340.427 0.689 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000974293371 741259025 /nfs/dbraw/zinc/25/90/25/741259025.db2.gz CBBAKNHGUNVOIG-UXLLHSPISA-N 1 1 340.427 0.924 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C3CC3)C2)nn1 ZINC001105204884 741470332 /nfs/dbraw/zinc/47/03/32/741470332.db2.gz IMDRPXPFUOPJKU-CYBMUJFWSA-N 1 1 333.436 1.000 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)Nc1ccnc(C#N)n1 ZINC001105214367 741478016 /nfs/dbraw/zinc/47/80/16/741478016.db2.gz HSLZQBMNVRQKNB-KDOFPFPSSA-N 1 1 342.447 0.809 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCNC2=O)cc1 ZINC001038371501 741505154 /nfs/dbraw/zinc/50/51/54/741505154.db2.gz KDIKPQVPIAAKAY-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCNC2=O)cc1 ZINC001038371501 741505156 /nfs/dbraw/zinc/50/51/56/741505156.db2.gz KDIKPQVPIAAKAY-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001105244479 741549376 /nfs/dbraw/zinc/54/93/76/741549376.db2.gz ZOJSWKZEOLNNRC-DLBZAZTESA-N 1 1 344.463 0.505 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C2)C1 ZINC000982148536 751647327 /nfs/dbraw/zinc/64/73/27/751647327.db2.gz MDCUULMEJDRJGH-UHFFFAOYSA-N 1 1 332.404 0.600 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cc4n(n3)CCC4)C2)nn1 ZINC001105254295 741567599 /nfs/dbraw/zinc/56/75/99/741567599.db2.gz SLWHWULOWZVMKQ-UHFFFAOYSA-N 1 1 341.419 0.784 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4c3CCC4)C2)nn1 ZINC001105253873 741567613 /nfs/dbraw/zinc/56/76/13/741567613.db2.gz IDCBVKKYEXASNC-UHFFFAOYSA-N 1 1 327.392 0.394 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001105259930 741583224 /nfs/dbraw/zinc/58/32/24/741583224.db2.gz SDYLNGXNACNSFN-UHFFFAOYSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001105259930 741583229 /nfs/dbraw/zinc/58/32/29/741583229.db2.gz SDYLNGXNACNSFN-UHFFFAOYSA-N 1 1 330.436 0.259 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001105264392 741595287 /nfs/dbraw/zinc/59/52/87/741595287.db2.gz HHFPFXYWMSAMMR-MRXNPFEDSA-N 1 1 344.463 0.649 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OCC)n[nH]3)C2)nn1 ZINC001105265510 741601454 /nfs/dbraw/zinc/60/14/54/741601454.db2.gz AXDMZFWAQHABOS-UHFFFAOYSA-N 1 1 331.380 0.373 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCn4ccnc4C3)C2)nn1 ZINC001105272148 741617364 /nfs/dbraw/zinc/61/73/64/741617364.db2.gz AZUPPQMSOFUGPS-ZDUSSCGKSA-N 1 1 341.419 0.396 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc4ccccn43)C2)nn1 ZINC001105280786 741636738 /nfs/dbraw/zinc/63/67/38/741636738.db2.gz CXPOVAVCUFPLGY-UHFFFAOYSA-N 1 1 337.387 0.899 20 30 ECEDMO C=C1CCC(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001058725470 741643705 /nfs/dbraw/zinc/64/37/05/741643705.db2.gz HSUYVNHEKRABPT-INIZCTEOSA-N 1 1 337.464 0.764 20 30 ECEDMO CC(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1C)Nc1ccnc(C#N)n1 ZINC001105288421 741648913 /nfs/dbraw/zinc/64/89/13/741648913.db2.gz MHQKQJAGEGOTMV-ZIAGYGMSSA-N 1 1 330.436 0.807 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nn(C)c3Cl)C2)nn1 ZINC001105294763 741665977 /nfs/dbraw/zinc/66/59/77/741665977.db2.gz FJANBJWBTHTLNT-UHFFFAOYSA-N 1 1 349.826 0.946 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)nn1 ZINC001105314114 741734566 /nfs/dbraw/zinc/73/45/66/741734566.db2.gz MRAXQUCZIFPBHJ-CYBMUJFWSA-N 1 1 342.407 0.175 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000982159541 751668341 /nfs/dbraw/zinc/66/83/41/751668341.db2.gz IBAVSUVVNDJXKL-UHFFFAOYSA-N 1 1 326.400 0.742 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3=CCOCC3)C(C)(C)C2)C1=O ZINC000974498920 741811148 /nfs/dbraw/zinc/81/11/48/741811148.db2.gz FVAKQQUKMWHCRL-HZPDHXFCSA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3=CCOCC3)C(C)(C)C2)C1=O ZINC000974498920 741811152 /nfs/dbraw/zinc/81/11/52/741811152.db2.gz FVAKQQUKMWHCRL-HZPDHXFCSA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCC1(C(=O)N(CCO)CCNC(=O)Cn2c[nH+]cc2C)CCC1 ZINC001058732747 741825900 /nfs/dbraw/zinc/82/59/00/741825900.db2.gz JHMKUKNUBGITJX-UHFFFAOYSA-N 1 1 348.447 0.875 20 30 ECEDMO C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974578510 741911031 /nfs/dbraw/zinc/91/10/31/741911031.db2.gz PWCDAZKFZGKBPN-JSGCOSHPSA-N 1 1 331.420 0.775 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)C(C)(C)C1 ZINC000974665318 741980036 /nfs/dbraw/zinc/98/00/36/741980036.db2.gz OUZLJHNZQSOEKX-CHWSQXEVSA-N 1 1 332.452 0.991 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)C(C)(C)C1 ZINC000974665318 741980038 /nfs/dbraw/zinc/98/00/38/741980038.db2.gz OUZLJHNZQSOEKX-CHWSQXEVSA-N 1 1 332.452 0.991 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3nn(C)c(C)c3Cl)C2)nn1 ZINC001105334429 742095423 /nfs/dbraw/zinc/09/54/23/742095423.db2.gz HCHJSQISXJGBRH-UHFFFAOYSA-N 1 1 349.826 0.946 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000974724299 742111450 /nfs/dbraw/zinc/11/14/50/742111450.db2.gz WZLBZANMMMEACV-BZUAXINKSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000974724299 742111453 /nfs/dbraw/zinc/11/14/53/742111453.db2.gz WZLBZANMMMEACV-BZUAXINKSA-N 1 1 349.475 0.979 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000974752088 742146813 /nfs/dbraw/zinc/14/68/13/742146813.db2.gz NUVYNOUYDOARPH-HNNXBMFYSA-N 1 1 336.480 0.553 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C(C)(C)C1 ZINC000974764882 742154178 /nfs/dbraw/zinc/15/41/78/742154178.db2.gz FQWMROZFCQEOPM-CYBMUJFWSA-N 1 1 328.372 0.486 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C(C)(C)C1 ZINC000974764882 742154179 /nfs/dbraw/zinc/15/41/79/742154179.db2.gz FQWMROZFCQEOPM-CYBMUJFWSA-N 1 1 328.372 0.486 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)C(C)(C)C1 ZINC000974827306 742227327 /nfs/dbraw/zinc/22/73/27/742227327.db2.gz PYZCRZCNWHTBAH-CQSZACIVSA-N 1 1 326.404 0.827 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)C(C)(C)C1 ZINC000974829704 742227996 /nfs/dbraw/zinc/22/79/96/742227996.db2.gz WFUFMPYXFVVWBZ-CQSZACIVSA-N 1 1 326.404 0.827 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)C(C)(C)C1 ZINC000974829704 742227997 /nfs/dbraw/zinc/22/79/97/742227997.db2.gz WFUFMPYXFVVWBZ-CQSZACIVSA-N 1 1 326.404 0.827 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000974859169 742256428 /nfs/dbraw/zinc/25/64/28/742256428.db2.gz AZWIUUQBWMPPHC-UONOGXRCSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000974859169 742256432 /nfs/dbraw/zinc/25/64/32/742256432.db2.gz AZWIUUQBWMPPHC-UONOGXRCSA-N 1 1 326.462 0.804 20 30 ECEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C(C)(C)C1 ZINC000974862379 742269380 /nfs/dbraw/zinc/26/93/80/742269380.db2.gz JYQFUDQTFQWJNJ-AWEZNQCLSA-N 1 1 327.392 0.684 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974998195 742426643 /nfs/dbraw/zinc/42/66/43/742426643.db2.gz QVTONEJPKVPDBX-STQMWFEESA-N 1 1 347.444 0.628 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974998195 742426646 /nfs/dbraw/zinc/42/66/46/742426646.db2.gz QVTONEJPKVPDBX-STQMWFEESA-N 1 1 347.444 0.628 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncn2)[C@H]1C ZINC001020508509 751728386 /nfs/dbraw/zinc/72/83/86/751728386.db2.gz CYMKQBMMYLVGAD-DZKIICNBSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccncn2)[C@H]1C ZINC001020508509 751728392 /nfs/dbraw/zinc/72/83/92/751728392.db2.gz CYMKQBMMYLVGAD-DZKIICNBSA-N 1 1 341.415 0.293 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2(C)C)C1 ZINC000975025154 742442989 /nfs/dbraw/zinc/44/29/89/742442989.db2.gz IKOJJWIZLGGJHZ-CHWSQXEVSA-N 1 1 333.432 0.975 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)CC2(C)C)C1 ZINC000975025154 742442991 /nfs/dbraw/zinc/44/29/91/742442991.db2.gz IKOJJWIZLGGJHZ-CHWSQXEVSA-N 1 1 333.432 0.975 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC2(C)C)c1 ZINC000975012622 742446351 /nfs/dbraw/zinc/44/63/51/742446351.db2.gz RLSMYXZFEPECTN-HOTGVXAUSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC2(C)C)c1 ZINC000975012622 742446353 /nfs/dbraw/zinc/44/63/53/742446353.db2.gz RLSMYXZFEPECTN-HOTGVXAUSA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000975060352 742466613 /nfs/dbraw/zinc/46/66/13/742466613.db2.gz ACPIGUKTCQMGJQ-KGLIPLIRSA-N 1 1 330.436 0.476 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000975107418 742489177 /nfs/dbraw/zinc/48/91/77/742489177.db2.gz ALZCGWMVABUTSP-KGLIPLIRSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000975107418 742489179 /nfs/dbraw/zinc/48/91/79/742489179.db2.gz ALZCGWMVABUTSP-KGLIPLIRSA-N 1 1 326.462 0.661 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3ccnnc3)C(C)(C)C2)C1=O ZINC000975098082 742496680 /nfs/dbraw/zinc/49/66/80/742496680.db2.gz PSYVESBERCRQNO-CABCVRRESA-N 1 1 343.431 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3ccnnc3)C(C)(C)C2)C1=O ZINC000975098082 742496682 /nfs/dbraw/zinc/49/66/82/742496682.db2.gz PSYVESBERCRQNO-CABCVRRESA-N 1 1 343.431 0.704 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC000975135143 742531136 /nfs/dbraw/zinc/53/11/36/742531136.db2.gz STOJJDKRHQTRJJ-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC000975135143 742531139 /nfs/dbraw/zinc/53/11/39/742531139.db2.gz STOJJDKRHQTRJJ-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975168795 742558648 /nfs/dbraw/zinc/55/86/48/742558648.db2.gz BKRHXRHPVPZAIK-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000975168795 742558651 /nfs/dbraw/zinc/55/86/51/742558651.db2.gz BKRHXRHPVPZAIK-HOTGVXAUSA-N 1 1 333.432 0.085 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001027114089 742587968 /nfs/dbraw/zinc/58/79/68/742587968.db2.gz PBUCFFDBJMNRHQ-YCPHGPKFSA-N 1 1 348.451 0.520 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3cnsn3)C2)nn1 ZINC001027115292 742604924 /nfs/dbraw/zinc/60/49/24/742604924.db2.gz VULLKWONMBHSBR-LBPRGKRZSA-N 1 1 347.448 0.958 20 30 ECEDMO N#Cc1cnc(N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)c(F)c1 ZINC001058926892 751766466 /nfs/dbraw/zinc/76/64/66/751766466.db2.gz QRIISRWQDKCDRB-AWEZNQCLSA-N 1 1 347.394 0.827 20 30 ECEDMO C#CCN1CC[NH+](C2CCC(NC(=O)C3=NC(=O)N(C)C3)CC2)CC1 ZINC000996789755 742868198 /nfs/dbraw/zinc/86/81/98/742868198.db2.gz SYWKMTQWPATLOM-UHFFFAOYSA-N 1 1 345.447 0.418 20 30 ECEDMO N#Cc1ccc(F)c(C[NH2+]C[C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)c1 ZINC001027162517 742891861 /nfs/dbraw/zinc/89/18/61/742891861.db2.gz QFNDELVMFFRXQS-CYBMUJFWSA-N 1 1 342.378 0.996 20 30 ECEDMO Cn1c(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)nnc1C1CCC1 ZINC001125987964 742927410 /nfs/dbraw/zinc/92/74/10/742927410.db2.gz JLWPLVKTTIOZTL-UHFFFAOYSA-N 1 1 327.392 0.802 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001028968330 743018410 /nfs/dbraw/zinc/01/84/10/743018410.db2.gz NPNMBDOSMJMSNR-AWEZNQCLSA-N 1 1 326.404 0.816 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001028231756 751799177 /nfs/dbraw/zinc/79/91/77/751799177.db2.gz VPUINSXBVSXMJI-GJZGRUSLSA-N 1 1 331.420 0.532 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnsn1 ZINC001075758911 743414392 /nfs/dbraw/zinc/41/43/92/743414392.db2.gz BRJGPTVRRHMTID-AAEUAGOBSA-N 1 1 335.433 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnsn1 ZINC001075758911 743414395 /nfs/dbraw/zinc/41/43/95/743414395.db2.gz BRJGPTVRRHMTID-AAEUAGOBSA-N 1 1 335.433 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1CCC ZINC001058763880 743505307 /nfs/dbraw/zinc/50/53/07/743505307.db2.gz DJIMBZVVWVWSSA-ZACQAIPSSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1CCC ZINC001058763880 743505310 /nfs/dbraw/zinc/50/53/10/743505310.db2.gz DJIMBZVVWVWSSA-ZACQAIPSSA-N 1 1 349.475 0.457 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001059170755 743542863 /nfs/dbraw/zinc/54/28/63/743542863.db2.gz PTQKOBIUDQXFOO-RBSFLKMASA-N 1 1 329.404 0.651 20 30 ECEDMO Cc1ccc(C#N)c(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001059170755 743542868 /nfs/dbraw/zinc/54/28/68/743542868.db2.gz PTQKOBIUDQXFOO-RBSFLKMASA-N 1 1 329.404 0.651 20 30 ECEDMO Cc1nc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001059170776 743543307 /nfs/dbraw/zinc/54/33/07/743543307.db2.gz QSTVBNCJGLSOCJ-KKUMJFAQSA-N 1 1 329.404 0.651 20 30 ECEDMO Cc1nc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001059170776 743543311 /nfs/dbraw/zinc/54/33/11/743543311.db2.gz QSTVBNCJGLSOCJ-KKUMJFAQSA-N 1 1 329.404 0.651 20 30 ECEDMO C[C@H]([NH2+]Cc1nnn(C)n1)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001029084523 743601434 /nfs/dbraw/zinc/60/14/34/743601434.db2.gz DCLNSCKVXFEKHS-NSHDSACASA-N 1 1 342.407 0.440 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nccc(OC)n2)C1 ZINC001059870960 751849660 /nfs/dbraw/zinc/84/96/60/751849660.db2.gz LVYLXHICDAKKIP-MJBXVCDLSA-N 1 1 329.404 0.642 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nccc(OC)n2)C1 ZINC001059870960 751849669 /nfs/dbraw/zinc/84/96/69/751849669.db2.gz LVYLXHICDAKKIP-MJBXVCDLSA-N 1 1 329.404 0.642 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)n[nH]1 ZINC000976226012 743707482 /nfs/dbraw/zinc/70/74/82/743707482.db2.gz IIRWTZBALFNCQF-LQKXBSAESA-N 1 1 341.415 0.002 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)n[nH]1 ZINC000976226012 743707487 /nfs/dbraw/zinc/70/74/87/743707487.db2.gz IIRWTZBALFNCQF-LQKXBSAESA-N 1 1 341.415 0.002 20 30 ECEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)C[N@H+](CC(=O)NC1CC1)C2 ZINC000982278664 751851420 /nfs/dbraw/zinc/85/14/20/751851420.db2.gz NKSPVCYWZHTJIE-KDURUIRLSA-N 1 1 329.444 0.849 20 30 ECEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)C[N@@H+](CC(=O)NC1CC1)C2 ZINC000982278664 751851425 /nfs/dbraw/zinc/85/14/25/751851425.db2.gz NKSPVCYWZHTJIE-KDURUIRLSA-N 1 1 329.444 0.849 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC([C@H](C)NC(=O)c3ncn[nH]3)CC2)C1=O ZINC000997804488 743820030 /nfs/dbraw/zinc/82/00/30/743820030.db2.gz DGXWDXOBFRSYHY-JSGCOSHPSA-N 1 1 346.435 0.422 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC([C@H](C)NC(=O)c3nc[nH]n3)CC2)C1=O ZINC000997804488 743820034 /nfs/dbraw/zinc/82/00/34/743820034.db2.gz DGXWDXOBFRSYHY-JSGCOSHPSA-N 1 1 346.435 0.422 20 30 ECEDMO C[N@@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1)C1CCC1 ZINC000976336150 743833614 /nfs/dbraw/zinc/83/36/14/743833614.db2.gz MAKBACIJHASOJS-HALDLXJZSA-N 1 1 341.415 0.557 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000976410665 743921346 /nfs/dbraw/zinc/92/13/46/743921346.db2.gz YBNUGIRISYTFOU-FOLVSLTJSA-N 1 1 338.371 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cn(CCOC)nn2)CC1 ZINC000998019902 743932984 /nfs/dbraw/zinc/93/29/84/743932984.db2.gz YBFFPQDNIAGWAE-OAHLLOKOSA-N 1 1 333.436 0.874 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000998134321 743997745 /nfs/dbraw/zinc/99/77/45/743997745.db2.gz XDNCPTBVSVSAKN-HNNXBMFYSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000998134321 743997749 /nfs/dbraw/zinc/99/77/49/743997749.db2.gz XDNCPTBVSVSAKN-HNNXBMFYSA-N 1 1 335.448 0.779 20 30 ECEDMO C[N@@H+](CCn1cncn1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027371539 744015762 /nfs/dbraw/zinc/01/57/62/744015762.db2.gz FBBRLPRBWBRVHZ-AWEZNQCLSA-N 1 1 327.392 0.714 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000998196574 744044371 /nfs/dbraw/zinc/04/43/71/744044371.db2.gz JLWPKAXCPLGDAO-CABCVRRESA-N 1 1 341.477 0.404 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)C1=O ZINC001027396846 744159104 /nfs/dbraw/zinc/15/91/04/744159104.db2.gz JWXLMONJUCFKRU-UKRRQHHQSA-N 1 1 346.435 0.138 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2CCC(OC)CC2)C1 ZINC000998644929 744265433 /nfs/dbraw/zinc/26/54/33/744265433.db2.gz IOWJPVOYPJWOGA-PREGVCBESA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2CCC(OC)CC2)C1 ZINC000998644929 744265436 /nfs/dbraw/zinc/26/54/36/744265436.db2.gz IOWJPVOYPJWOGA-PREGVCBESA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@]3(C)CCOC3)C[C@H]21 ZINC000976741329 744276820 /nfs/dbraw/zinc/27/68/20/744276820.db2.gz QEFWYZHPNIJLIT-WPECMILSSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@]3(C)CCOC3)C[C@H]21 ZINC000976741329 744276821 /nfs/dbraw/zinc/27/68/21/744276821.db2.gz QEFWYZHPNIJLIT-WPECMILSSA-N 1 1 345.443 0.084 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)c1 ZINC000998848153 744370981 /nfs/dbraw/zinc/37/09/81/744370981.db2.gz FNNNKYCQZMVZQB-GFCCVEGCSA-N 1 1 340.391 0.602 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000976853304 744400739 /nfs/dbraw/zinc/40/07/39/744400739.db2.gz SSUXGIGOOTWQAX-FJZAXULXSA-N 1 1 341.415 0.495 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000998962019 744432785 /nfs/dbraw/zinc/43/27/85/744432785.db2.gz QHQUPLBDEKPELP-CYBMUJFWSA-N 1 1 342.407 0.848 20 30 ECEDMO CCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000998968593 744438822 /nfs/dbraw/zinc/43/88/22/744438822.db2.gz GMIQTTIMJAQLID-CYBMUJFWSA-N 1 1 327.392 0.892 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+][C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000999127721 744524625 /nfs/dbraw/zinc/52/46/25/744524625.db2.gz JCVFKUZDEDVKKZ-CQSZACIVSA-N 1 1 330.436 0.922 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001087421075 744526326 /nfs/dbraw/zinc/52/63/26/744526326.db2.gz LPKXDXPXDZCCDU-IAGOWNOFSA-N 1 1 338.415 0.671 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC000999324738 744628435 /nfs/dbraw/zinc/62/84/35/744628435.db2.gz YFJPFMDOJANNFS-CVEARBPZSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCOC1 ZINC000977064407 744642672 /nfs/dbraw/zinc/64/26/72/744642672.db2.gz QSXJXQROAIGDOD-POORBHPNSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCOC1 ZINC000977064407 744642676 /nfs/dbraw/zinc/64/26/76/744642676.db2.gz QSXJXQROAIGDOD-POORBHPNSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(=O)cc2C)C1 ZINC000999349857 744643427 /nfs/dbraw/zinc/64/34/27/744643427.db2.gz VPZHYBLXNRBONW-HNNXBMFYSA-N 1 1 342.399 0.134 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(=O)cc2C)C1 ZINC000999349857 744643430 /nfs/dbraw/zinc/64/34/30/744643430.db2.gz VPZHYBLXNRBONW-HNNXBMFYSA-N 1 1 342.399 0.134 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2noc(CC)n2)C1 ZINC000999394094 744673503 /nfs/dbraw/zinc/67/35/03/744673503.db2.gz BIAYXDBIJLHPIY-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2noc(CC)n2)C1 ZINC000999394094 744673505 /nfs/dbraw/zinc/67/35/05/744673505.db2.gz BIAYXDBIJLHPIY-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3nc(C)no3)C2)nn1 ZINC000999522106 744736511 /nfs/dbraw/zinc/73/65/11/744736511.db2.gz DZCBGCHEPPFZDJ-UHFFFAOYSA-N 1 1 331.380 0.548 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3csnn3)C2)nn1 ZINC000999522479 744737004 /nfs/dbraw/zinc/73/70/04/744737004.db2.gz INHKZCKRZCTWIX-UHFFFAOYSA-N 1 1 333.421 0.708 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001027483054 744737566 /nfs/dbraw/zinc/73/75/66/744737566.db2.gz KITGBWOJKQBADF-LBPRGKRZSA-N 1 1 340.811 0.624 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001027483054 744737568 /nfs/dbraw/zinc/73/75/68/744737568.db2.gz KITGBWOJKQBADF-LBPRGKRZSA-N 1 1 340.811 0.624 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001027485292 744749483 /nfs/dbraw/zinc/74/94/83/744749483.db2.gz WYYSXONTUMQKMO-AWEZNQCLSA-N 1 1 332.404 0.059 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccon3)C2)nn1 ZINC001098626220 744825066 /nfs/dbraw/zinc/82/50/66/744825066.db2.gz LZMDAFBOTCNXKV-AWEZNQCLSA-N 1 1 346.391 0.646 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+](C[C@H]3CCOC3)CC2(C)C)nn1 ZINC000977273903 744828805 /nfs/dbraw/zinc/82/88/05/744828805.db2.gz RKYOZFFILLJKRG-HIFRSBDPSA-N 1 1 333.436 0.941 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000977326290 744869642 /nfs/dbraw/zinc/86/96/42/744869642.db2.gz LDTLERKLQKQTGR-KBPBESRZSA-N 1 1 343.493 0.813 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC000999847707 744940537 /nfs/dbraw/zinc/94/05/37/744940537.db2.gz LVQYAMYWVPZYLR-CYBMUJFWSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 ZINC000999956079 745095288 /nfs/dbraw/zinc/09/52/88/745095288.db2.gz NBLIESOKJDVOGP-CABCVRRESA-N 1 1 335.408 0.133 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001059197532 745113887 /nfs/dbraw/zinc/11/38/87/745113887.db2.gz DHSIXYQKZISOKZ-ZIAGYGMSSA-N 1 1 338.477 0.692 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(CC)n[nH]3)nn2)C1 ZINC000999969148 745115262 /nfs/dbraw/zinc/11/52/62/745115262.db2.gz VSJCNILZXLGMFA-OAHLLOKOSA-N 1 1 341.419 0.764 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCNC(=O)C3)nn2)C1 ZINC000999979082 745128864 /nfs/dbraw/zinc/12/88/64/745128864.db2.gz ICRZVRFPSSOYHW-HIFRSBDPSA-N 1 1 346.435 0.243 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC000999980313 745131379 /nfs/dbraw/zinc/13/13/79/745131379.db2.gz MUORQZAXZWXGQX-HNNXBMFYSA-N 1 1 337.387 0.678 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@]34C[C@H]3COC4)nn2)C1 ZINC000999993469 745152224 /nfs/dbraw/zinc/15/22/24/745152224.db2.gz TWQKJWZLIXMNLQ-QRTARXTBSA-N 1 1 329.404 0.201 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[N@@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000977534259 745156818 /nfs/dbraw/zinc/15/68/18/745156818.db2.gz LDSWXQMSQCHHRP-CJNGLKHVSA-N 1 1 327.428 0.911 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[N@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000977534259 745156820 /nfs/dbraw/zinc/15/68/20/745156820.db2.gz LDSWXQMSQCHHRP-CJNGLKHVSA-N 1 1 327.428 0.911 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CC=C)C2)nn1 ZINC000999999014 745159932 /nfs/dbraw/zinc/15/99/32/745159932.db2.gz WLPGDPMYYTXXPU-IRXDYDNUSA-N 1 1 342.447 0.425 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3CC)nn2)C1 ZINC001000001008 745163707 /nfs/dbraw/zinc/16/37/07/745163707.db2.gz ACORXLGYWHVHMV-CQSZACIVSA-N 1 1 341.419 0.384 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(OC)n(C)n3)nn2)C1 ZINC001000001567 745164403 /nfs/dbraw/zinc/16/44/03/745164403.db2.gz CYAMCJZNSWTONV-ZDUSSCGKSA-N 1 1 345.407 0.383 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3COCCN3CC)nn2)C1 ZINC001000002067 745165224 /nfs/dbraw/zinc/16/52/24/745165224.db2.gz GSIRMBXZSZROEU-JKSUJKDBSA-N 1 1 348.451 0.048 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnc(OC)c3)nn2)C1 ZINC001000003517 745168424 /nfs/dbraw/zinc/16/84/24/745168424.db2.gz QEUAPCCSVVDTDY-HNNXBMFYSA-N 1 1 340.387 0.492 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]c4c3CCC4)nn2)C1 ZINC001000003888 745168988 /nfs/dbraw/zinc/16/89/88/745168988.db2.gz RAQIQLZADQLXGK-CYBMUJFWSA-N 1 1 339.403 0.300 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccc4n[nH]cc43)nn2)C1 ZINC001000010279 745178580 /nfs/dbraw/zinc/17/85/80/745178580.db2.gz QTTRIMKVPLEEKQ-CQSZACIVSA-N 1 1 349.398 0.964 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(=O)n3C)nn2)C1 ZINC001000013113 745182582 /nfs/dbraw/zinc/18/25/82/745182582.db2.gz HGHJLJJABKAPKT-CYBMUJFWSA-N 1 1 345.407 0.470 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C(N)=O)co3)nn2)C1 ZINC001000019669 745189770 /nfs/dbraw/zinc/18/97/70/745189770.db2.gz FMJYPTLINXWBKQ-CYBMUJFWSA-N 1 1 344.375 0.333 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001000024659 745196116 /nfs/dbraw/zinc/19/61/16/745196116.db2.gz KTUXAMPOINIDMY-OAHLLOKOSA-N 1 1 327.392 0.821 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]c(C)nc3C)nn2)C1 ZINC001000025595 745196920 /nfs/dbraw/zinc/19/69/20/745196920.db2.gz RCJXPZDKDDCODJ-HNNXBMFYSA-N 1 1 341.419 0.818 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001000025628 745197463 /nfs/dbraw/zinc/19/74/63/745197463.db2.gz RIXHBMJAEVFLOA-CQSZACIVSA-N 1 1 347.810 0.997 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001000025628 745197467 /nfs/dbraw/zinc/19/74/67/745197467.db2.gz RIXHBMJAEVFLOA-CQSZACIVSA-N 1 1 347.810 0.997 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(CCC)nn3)nn2)C1 ZINC001000032481 745207074 /nfs/dbraw/zinc/20/70/74/745207074.db2.gz CRMJGIOORRYKBG-CQSZACIVSA-N 1 1 342.407 0.090 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001000035085 745210157 /nfs/dbraw/zinc/21/01/57/745210157.db2.gz KFWVBQQKACFWGO-AWEZNQCLSA-N 1 1 325.376 0.268 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)C1 ZINC001000034566 745210492 /nfs/dbraw/zinc/21/04/92/745210492.db2.gz WTXBPOPAGWFUGG-VQHPVUNQSA-N 1 1 343.431 0.732 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C(F)F)C1 ZINC000983753682 745212630 /nfs/dbraw/zinc/21/26/30/745212630.db2.gz ZJOIQTZFOVQFKU-OLZOCXBDSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C(F)F)C1 ZINC000983753682 745212636 /nfs/dbraw/zinc/21/26/36/745212636.db2.gz ZJOIQTZFOVQFKU-OLZOCXBDSA-N 1 1 327.375 0.799 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000977590766 745220872 /nfs/dbraw/zinc/22/08/72/745220872.db2.gz UQLLOWFOXSQXDX-CQSZACIVSA-N 1 1 343.493 0.120 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000977590766 745220874 /nfs/dbraw/zinc/22/08/74/745220874.db2.gz UQLLOWFOXSQXDX-CQSZACIVSA-N 1 1 343.493 0.120 20 30 ECEDMO CC#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046322 745227395 /nfs/dbraw/zinc/22/73/95/745227395.db2.gz SHPBDWIHPFEGOG-ZBFHGGJFSA-N 1 1 330.436 0.116 20 30 ECEDMO CC#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046322 745227398 /nfs/dbraw/zinc/22/73/98/745227398.db2.gz SHPBDWIHPFEGOG-ZBFHGGJFSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn4cc[nH]c34)nn2)C1 ZINC001000046811 745228324 /nfs/dbraw/zinc/22/83/24/745228324.db2.gz VUSZYUGVNJQGQG-ZDUSSCGKSA-N 1 1 338.375 0.064 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000977580645 745237552 /nfs/dbraw/zinc/23/75/52/745237552.db2.gz BQMJYKWHLVIMCM-GFCCVEGCSA-N 1 1 334.420 0.167 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1c[nH]c(C#N)c1 ZINC000977580438 745237622 /nfs/dbraw/zinc/23/76/22/745237622.db2.gz LPFPTRNTXROXNB-LSDHHAIUSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC(F)(F)F)C1 ZINC001149316585 745290422 /nfs/dbraw/zinc/29/04/22/745290422.db2.gz DYEBSGMVEHYUGV-LLVKDONJSA-N 1 1 337.342 0.448 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC(F)(F)F)C1 ZINC001149316585 745290425 /nfs/dbraw/zinc/29/04/25/745290425.db2.gz DYEBSGMVEHYUGV-LLVKDONJSA-N 1 1 337.342 0.448 20 30 ECEDMO COCC#CCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154651 745368006 /nfs/dbraw/zinc/36/80/06/745368006.db2.gz WDFOOZYPLWPLSQ-ZIAGYGMSSA-N 1 1 349.397 0.957 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001000231497 745368129 /nfs/dbraw/zinc/36/81/29/745368129.db2.gz CLKHWFRYSPHZGZ-ZNMIVQPWSA-N 1 1 348.451 0.926 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027551779 745397537 /nfs/dbraw/zinc/39/75/37/745397537.db2.gz QQWGLWGSZUAXCH-HOTGVXAUSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001075785197 745397731 /nfs/dbraw/zinc/39/77/31/745397731.db2.gz VGISREXLFHWWFM-KCQAQPDRSA-N 1 1 329.404 0.481 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001000428174 745492301 /nfs/dbraw/zinc/49/23/01/745492301.db2.gz SSKCFFMQPFJZJA-YDHLFZDLSA-N 1 1 334.424 0.272 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)c[nH]1 ZINC001029277381 745507174 /nfs/dbraw/zinc/50/71/74/745507174.db2.gz GSDWCHWKLZISIX-QLFBSQMISA-N 1 1 327.388 0.454 20 30 ECEDMO COCC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC(N)=O)CC1 ZINC001105389052 745530657 /nfs/dbraw/zinc/53/06/57/745530657.db2.gz HTGPZMUWTSRKRM-GOSISDBHSA-N 1 1 347.459 0.605 20 30 ECEDMO CCn1cc(CC[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cn1 ZINC001083414270 745532639 /nfs/dbraw/zinc/53/26/39/745532639.db2.gz UQDGQUCOILRGSC-CVEARBPZSA-N 1 1 342.403 0.120 20 30 ECEDMO CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cn1 ZINC001083414270 745532643 /nfs/dbraw/zinc/53/26/43/745532643.db2.gz UQDGQUCOILRGSC-CVEARBPZSA-N 1 1 342.403 0.120 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC000977817752 745536803 /nfs/dbraw/zinc/53/68/03/745536803.db2.gz QIUUANNVLSBTDM-JYJNAYRXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC000977817752 745536808 /nfs/dbraw/zinc/53/68/08/745536808.db2.gz QIUUANNVLSBTDM-JYJNAYRXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC000977817754 745536826 /nfs/dbraw/zinc/53/68/26/745536826.db2.gz QIUUANNVLSBTDM-XHSDSOJGSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC000977817754 745536835 /nfs/dbraw/zinc/53/68/35/745536835.db2.gz QIUUANNVLSBTDM-XHSDSOJGSA-N 1 1 333.432 0.180 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4COCCO4)[C@@H]3C2)cc1 ZINC000977836034 745571883 /nfs/dbraw/zinc/57/18/83/745571883.db2.gz IMRMTKAHNZTHLP-ZJPYXAASSA-N 1 1 341.411 0.768 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2=CC[N@@H+](CCN3CCCC3=O)CC2)c1 ZINC001000559091 745594722 /nfs/dbraw/zinc/59/47/22/745594722.db2.gz LFPBPJLUQKVICN-UHFFFAOYSA-N 1 1 341.415 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccns1 ZINC000977918264 745645317 /nfs/dbraw/zinc/64/53/17/745645317.db2.gz LIQFFWFFQKUNKL-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccns1 ZINC000977918264 745645320 /nfs/dbraw/zinc/64/53/20/745645320.db2.gz LIQFFWFFQKUNKL-KBPBESRZSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1nonc1C ZINC000977920417 745648850 /nfs/dbraw/zinc/64/88/50/745648850.db2.gz OXXWGMIVMZWGBC-KBPBESRZSA-N 1 1 345.403 0.149 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1nonc1C ZINC000977920417 745648854 /nfs/dbraw/zinc/64/88/54/745648854.db2.gz OXXWGMIVMZWGBC-KBPBESRZSA-N 1 1 345.403 0.149 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCCC2=O)cn1 ZINC001028270362 752023548 /nfs/dbraw/zinc/02/35/48/752023548.db2.gz IHLXAWMBVWMBAQ-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N(C)C2CC2)cn1 ZINC001028270600 752024877 /nfs/dbraw/zinc/02/48/77/752024877.db2.gz OJVHIMNWTXRSPS-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)C2CC2)cn1 ZINC001028270600 752024884 /nfs/dbraw/zinc/02/48/84/752024884.db2.gz OJVHIMNWTXRSPS-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1nccnc1C#N ZINC001126522962 745715948 /nfs/dbraw/zinc/71/59/48/745715948.db2.gz IFIWLQJOIVTJJD-KBPBESRZSA-N 1 1 346.435 0.115 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)cn1 ZINC001000730226 745728550 /nfs/dbraw/zinc/72/85/50/745728550.db2.gz UKDGZGBXATWNCN-IUODEOHRSA-N 1 1 339.403 0.542 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cn(C)cn4)[C@@H]3C2)C1=O ZINC000977983885 745747177 /nfs/dbraw/zinc/74/71/77/745747177.db2.gz SMOMPIVWQQUZLJ-AYDFFVQHSA-N 1 1 343.431 0.115 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H](CC)C(N)=O)CC1 ZINC001000788644 745764620 /nfs/dbraw/zinc/76/46/20/745764620.db2.gz WZNXFGXGLYNDOG-CVEARBPZSA-N 1 1 332.448 0.096 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000982355099 752032344 /nfs/dbraw/zinc/03/23/44/752032344.db2.gz AXJLGNMSQNRULT-RDJZCZTQSA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000982355099 752032350 /nfs/dbraw/zinc/03/23/50/752032350.db2.gz AXJLGNMSQNRULT-RDJZCZTQSA-N 1 1 340.427 0.758 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)c[nH]1 ZINC000978026148 745796210 /nfs/dbraw/zinc/79/62/10/745796210.db2.gz ABEOGISRMIQWIS-PHZGNYQRSA-N 1 1 341.415 0.416 20 30 ECEDMO Cn1nccc1CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978017942 745803557 /nfs/dbraw/zinc/80/35/57/745803557.db2.gz FAKLZLLZQXITGM-PHZGNYQRSA-N 1 1 338.415 0.770 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004190 752041236 /nfs/dbraw/zinc/04/12/36/752041236.db2.gz USQYSXYZKDHVOB-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004190 752041241 /nfs/dbraw/zinc/04/12/41/752041241.db2.gz USQYSXYZKDHVOB-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccccc2O)C1 ZINC001000990849 745956978 /nfs/dbraw/zinc/95/69/78/745956978.db2.gz GIOGBWWIXYXKLH-INIZCTEOSA-N 1 1 341.411 0.678 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccccc2O)C1 ZINC001000990849 745956981 /nfs/dbraw/zinc/95/69/81/745956981.db2.gz GIOGBWWIXYXKLH-INIZCTEOSA-N 1 1 341.411 0.678 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC000978130118 745971262 /nfs/dbraw/zinc/97/12/62/745971262.db2.gz MAXMKZJHIANPAK-QCEMKRCNSA-N 1 1 341.415 0.080 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000984187068 746007915 /nfs/dbraw/zinc/00/79/15/746007915.db2.gz XPFHKWUEQULPHH-IAGOWNOFSA-N 1 1 347.459 0.570 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000984187068 746007919 /nfs/dbraw/zinc/00/79/19/746007919.db2.gz XPFHKWUEQULPHH-IAGOWNOFSA-N 1 1 347.459 0.570 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3coc(S(C)(=O)=O)c3)[C@@H]2C1 ZINC000978199875 746027318 /nfs/dbraw/zinc/02/73/18/746027318.db2.gz SHNOLEJWJFJPCY-ZSOGYDGISA-N 1 1 336.413 0.614 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(CC)C3)[C@@H]2C1 ZINC000978227690 746056924 /nfs/dbraw/zinc/05/69/24/746056924.db2.gz GEYNAKAATIUMAY-SYQHCUMBSA-N 1 1 325.840 0.901 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1CC ZINC001087593830 746105139 /nfs/dbraw/zinc/10/51/39/746105139.db2.gz XVXICBQNRSRPDD-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H]1CC ZINC001087607018 746115382 /nfs/dbraw/zinc/11/53/82/746115382.db2.gz GIGDSPYIHBKUQV-XHSDSOJGSA-N 1 1 334.464 0.141 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC=C(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c1 ZINC001001154137 746120691 /nfs/dbraw/zinc/12/06/91/746120691.db2.gz CJLFAFTUNPLNAL-SJORKVTESA-N 1 1 338.411 0.928 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1CC ZINC001087631784 746132905 /nfs/dbraw/zinc/13/29/05/746132905.db2.gz UFKYJMXJHLNQGK-NWDGAFQWSA-N 1 1 327.816 0.303 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1CC ZINC001087631784 746132906 /nfs/dbraw/zinc/13/29/06/746132906.db2.gz UFKYJMXJHLNQGK-NWDGAFQWSA-N 1 1 327.816 0.303 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nncs3)C[C@H]21 ZINC000978285517 746149679 /nfs/dbraw/zinc/14/96/79/746149679.db2.gz VFAVXUGMJFDOPC-XQLPTFJDSA-N 1 1 345.472 0.430 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nncs3)C[C@H]21 ZINC000978285517 746149685 /nfs/dbraw/zinc/14/96/85/746149685.db2.gz VFAVXUGMJFDOPC-XQLPTFJDSA-N 1 1 345.472 0.430 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001001201242 746156712 /nfs/dbraw/zinc/15/67/12/746156712.db2.gz OPGUPGXGMQMVCI-HNNXBMFYSA-N 1 1 329.404 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001001201242 746156714 /nfs/dbraw/zinc/15/67/14/746156714.db2.gz OPGUPGXGMQMVCI-HNNXBMFYSA-N 1 1 329.404 0.004 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccnn3C)C2)nn1 ZINC001027607311 746167721 /nfs/dbraw/zinc/16/77/21/746167721.db2.gz VOTMNOFPCURDES-AWEZNQCLSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccnn3C)C2)nn1 ZINC001027607311 746167723 /nfs/dbraw/zinc/16/77/23/746167723.db2.gz VOTMNOFPCURDES-AWEZNQCLSA-N 1 1 343.435 0.934 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087689054 746194193 /nfs/dbraw/zinc/19/41/93/746194193.db2.gz IOHIKQJXTHDUOC-QWHCGFSZSA-N 1 1 345.432 0.926 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087689054 746194196 /nfs/dbraw/zinc/19/41/96/746194196.db2.gz IOHIKQJXTHDUOC-QWHCGFSZSA-N 1 1 345.432 0.926 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@H]1CC ZINC001087703923 746210933 /nfs/dbraw/zinc/21/09/33/746210933.db2.gz VFMOHRKEKLSARC-UONOGXRCSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000984283279 746217541 /nfs/dbraw/zinc/21/75/41/746217541.db2.gz FYXINTGPSMFUJJ-BBWFWOEESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000984283279 746217544 /nfs/dbraw/zinc/21/75/44/746217544.db2.gz FYXINTGPSMFUJJ-BBWFWOEESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)[C@H]1CC ZINC001087778717 746319292 /nfs/dbraw/zinc/31/92/92/746319292.db2.gz OATDKSDZYLLWEA-OFQRWUPVSA-N 1 1 331.420 0.531 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+]([C@@H]3CCCNC3=O)CC2)nc1 ZINC001001384132 746330589 /nfs/dbraw/zinc/33/05/89/746330589.db2.gz PDMZVENIDQNHDC-QGZVFWFLSA-N 1 1 338.411 0.703 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cncn4C)[C@@H]3C2)C1=O ZINC000978449735 746336216 /nfs/dbraw/zinc/33/62/16/746336216.db2.gz FXKVCNBJCJYHSD-XQLPTFJDSA-N 1 1 343.431 0.115 20 30 ECEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2nccnc2C(N)=O)CC1 ZINC001001429362 746366919 /nfs/dbraw/zinc/36/69/19/746366919.db2.gz AQRKISJTKDJOJL-UHFFFAOYSA-N 1 1 329.404 0.904 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)C1=O ZINC001027628987 746373285 /nfs/dbraw/zinc/37/32/85/746373285.db2.gz PGRHXARPZJWSJI-LSDHHAIUSA-N 1 1 345.447 0.662 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001482858 746422153 /nfs/dbraw/zinc/42/21/53/746422153.db2.gz QIJWADNFQZUXPS-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001508777 746446758 /nfs/dbraw/zinc/44/67/58/746446758.db2.gz IFSQPZBQYGYGFZ-MRXNPFEDSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001509577 746448006 /nfs/dbraw/zinc/44/80/06/746448006.db2.gz QSFYHBISESWJDD-NHYWBVRUSA-N 1 1 329.404 0.272 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC000978585558 746473493 /nfs/dbraw/zinc/47/34/93/746473493.db2.gz QVYQLWYPORLIIU-FIQHERPVSA-N 1 1 342.237 0.325 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nonc3C)[C@H]2CC)C1=O ZINC001087848801 746487883 /nfs/dbraw/zinc/48/78/83/746487883.db2.gz PIZBTLFXCKRZJJ-BFHYXJOUSA-N 1 1 347.419 0.748 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nonc3C)[C@H]2CC)C1=O ZINC001087848801 746487886 /nfs/dbraw/zinc/48/78/86/746487886.db2.gz PIZBTLFXCKRZJJ-BFHYXJOUSA-N 1 1 347.419 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncoc2C)C1 ZINC000978624243 746519280 /nfs/dbraw/zinc/51/92/80/746519280.db2.gz GXKQBWCZCNSUEL-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncoc2C)C1 ZINC000978624243 746519284 /nfs/dbraw/zinc/51/92/84/746519284.db2.gz GXKQBWCZCNSUEL-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000978665974 746555824 /nfs/dbraw/zinc/55/58/24/746555824.db2.gz FREIVHXVQAXHQX-JKJDWNRSSA-N 1 1 335.448 0.683 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000978666642 746556398 /nfs/dbraw/zinc/55/63/98/746556398.db2.gz GNGRTDKIJVTNSS-UAGQMJEPSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccn(C)c2)C1 ZINC000978716836 746630945 /nfs/dbraw/zinc/63/09/45/746630945.db2.gz KGDUARONFUJSIH-UAGQMJEPSA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccn(C)c2)C1 ZINC000978716836 746630947 /nfs/dbraw/zinc/63/09/47/746630947.db2.gz KGDUARONFUJSIH-UAGQMJEPSA-N 1 1 342.443 0.747 20 30 ECEDMO CC#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001059399982 746650342 /nfs/dbraw/zinc/65/03/42/746650342.db2.gz YWUQHZRXHSMAEG-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001059399982 746650345 /nfs/dbraw/zinc/65/03/45/746650345.db2.gz YWUQHZRXHSMAEG-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)c[nH]c3CC(N)=O)[C@@H]2C1 ZINC000978747291 746675202 /nfs/dbraw/zinc/67/52/02/746675202.db2.gz PZQXCVFBIJHKON-ZSOGYDGISA-N 1 1 328.416 0.282 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000984593650 746697792 /nfs/dbraw/zinc/69/77/92/746697792.db2.gz FYXINTGPSMFUJJ-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000984593650 746697795 /nfs/dbraw/zinc/69/77/95/746697795.db2.gz FYXINTGPSMFUJJ-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)[C@@H]2C1 ZINC001075827110 746725630 /nfs/dbraw/zinc/72/56/30/746725630.db2.gz GTOHNLKETYOZLK-GVDBMIGSSA-N 1 1 329.444 0.801 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001027673053 746733296 /nfs/dbraw/zinc/73/32/96/746733296.db2.gz CCZAAQRVDXQFIB-GFCCVEGCSA-N 1 1 342.827 0.556 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001027673053 746733299 /nfs/dbraw/zinc/73/32/99/746733299.db2.gz CCZAAQRVDXQFIB-GFCCVEGCSA-N 1 1 342.827 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000978795285 746735280 /nfs/dbraw/zinc/73/52/80/746735280.db2.gz MLIPWMMIVSUAMG-MJBXVCDLSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000978795285 746735283 /nfs/dbraw/zinc/73/52/83/746735283.db2.gz MLIPWMMIVSUAMG-MJBXVCDLSA-N 1 1 329.404 0.132 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@H]32)nn1 ZINC000978816041 746742038 /nfs/dbraw/zinc/74/20/38/746742038.db2.gz KSOKPJKKMUKQTN-YHUYYLMFSA-N 1 1 345.447 0.941 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@@H]2C1 ZINC001087963031 746756181 /nfs/dbraw/zinc/75/61/81/746756181.db2.gz WOKIAYNMGGPWTO-CABCVRRESA-N 1 1 331.420 0.342 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001001843268 746764137 /nfs/dbraw/zinc/76/41/37/746764137.db2.gz DYLFTIYNQRCWHB-KGLIPLIRSA-N 1 1 349.435 0.028 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)n3)[C@@H]2C1 ZINC000978838524 746764265 /nfs/dbraw/zinc/76/42/65/746764265.db2.gz IQWXURUEYDOYRG-RTCCRHLQSA-N 1 1 340.225 0.631 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000978840573 746767463 /nfs/dbraw/zinc/76/74/63/746767463.db2.gz YEYCAVRGFPNUSD-GUTXKFCHSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1 ZINC000978842029 746769382 /nfs/dbraw/zinc/76/93/82/746769382.db2.gz BJCNQKWDNHJEBT-XYYAHUGASA-N 1 1 327.388 0.425 20 30 ECEDMO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3ccn(C)n3)CC2)nn1 ZINC001001918189 746806312 /nfs/dbraw/zinc/80/63/12/746806312.db2.gz CKIMGYJSZOSANM-UHFFFAOYSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncccn4)[C@@H]3C2)C1=O ZINC000978867697 746818053 /nfs/dbraw/zinc/81/80/53/746818053.db2.gz MSMJJOOMCRPEIH-APIJFGDWSA-N 1 1 341.415 0.171 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@@H]2C1 ZINC001087984516 746831099 /nfs/dbraw/zinc/83/10/99/746831099.db2.gz FGJOKNKEUWLMKP-KFWWJZLASA-N 1 1 331.416 0.328 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCN(C)C1=O ZINC001029480917 746895713 /nfs/dbraw/zinc/89/57/13/746895713.db2.gz PZFUZKAVVNGIHN-JJTUDDRGSA-N 1 1 347.459 0.874 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000984781665 746929153 /nfs/dbraw/zinc/92/91/53/746929153.db2.gz DYDIRWYZXCTSNT-DUVNUKRYSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC000978952376 746944448 /nfs/dbraw/zinc/94/44/48/746944448.db2.gz GARIAURZIKCHAI-IMJJTQAJSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC000978952376 746944454 /nfs/dbraw/zinc/94/44/54/746944454.db2.gz GARIAURZIKCHAI-IMJJTQAJSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC000978964132 746964529 /nfs/dbraw/zinc/96/45/29/746964529.db2.gz ARRZYPXDRNNZDI-PHZGNYQRSA-N 1 1 329.400 0.648 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nccn4C)C[C@H]32)cn1 ZINC000979016106 747062458 /nfs/dbraw/zinc/06/24/58/747062458.db2.gz KAKDYPFMIKCOBM-OSYLJGHBSA-N 1 1 335.411 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nccn4C)C[C@H]32)cn1 ZINC000979016106 747062462 /nfs/dbraw/zinc/06/24/62/747062462.db2.gz KAKDYPFMIKCOBM-OSYLJGHBSA-N 1 1 335.411 0.904 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C[C@@H]2C1 ZINC001088018479 747072478 /nfs/dbraw/zinc/07/24/78/747072478.db2.gz ZPSYWNWCBDPRPF-RDBSUJKOSA-N 1 1 331.420 0.512 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001002216467 747093136 /nfs/dbraw/zinc/09/31/36/747093136.db2.gz PAFOQTDRXYNUOH-OIISXLGYSA-N 1 1 349.475 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@H](C)OC ZINC001002234268 747110051 /nfs/dbraw/zinc/11/00/51/747110051.db2.gz YELWHCQRPCRBLT-JYJNAYRXSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@H](C)OC ZINC001002234268 747110056 /nfs/dbraw/zinc/11/00/56/747110056.db2.gz YELWHCQRPCRBLT-JYJNAYRXSA-N 1 1 335.448 0.568 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C(=O)NC)c3)[C@@H]2C1 ZINC000979091067 747159872 /nfs/dbraw/zinc/15/98/72/747159872.db2.gz MWERKNGBZFFZKH-OSYLJGHBSA-N 1 1 325.412 0.977 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]2C1 ZINC001088060919 747173573 /nfs/dbraw/zinc/17/35/73/747173573.db2.gz COFYNRLXLZUHGT-CVEARBPZSA-N 1 1 342.443 0.814 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@@H]2C1 ZINC001088082807 747286477 /nfs/dbraw/zinc/28/64/77/747286477.db2.gz LXANVDGHBIASOI-KFWWJZLASA-N 1 1 329.448 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@@H]1CC ZINC000985048246 747302195 /nfs/dbraw/zinc/30/21/95/747302195.db2.gz CUCPKUDVUGJWPK-VVLHAWIVSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@@H]1CC ZINC000985048246 747302200 /nfs/dbraw/zinc/30/22/00/747302200.db2.gz CUCPKUDVUGJWPK-VVLHAWIVSA-N 1 1 347.459 0.759 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001002409424 747312414 /nfs/dbraw/zinc/31/24/14/747312414.db2.gz OMGCOCIXFFDWJJ-HOTGVXAUSA-N 1 1 347.459 0.781 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)cc1 ZINC001088087384 747328691 /nfs/dbraw/zinc/32/86/91/747328691.db2.gz UTBYPJYCWRWSIC-CABCVRRESA-N 1 1 342.399 0.355 20 30 ECEDMO NC(=O)C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)CC[C@@H]2C1 ZINC001088088827 747344535 /nfs/dbraw/zinc/34/45/35/747344535.db2.gz OLVTUOLYRZTNPS-CABCVRRESA-N 1 1 345.830 0.957 20 30 ECEDMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)CC[C@@H]2C1 ZINC001088088827 747344544 /nfs/dbraw/zinc/34/45/44/747344544.db2.gz OLVTUOLYRZTNPS-CABCVRRESA-N 1 1 345.830 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)CC(C)(C)O ZINC001002444675 747353149 /nfs/dbraw/zinc/35/31/49/747353149.db2.gz PPCPEOXCCFWXOS-HOTGVXAUSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)CC(C)(C)O ZINC001002444675 747353157 /nfs/dbraw/zinc/35/31/57/747353157.db2.gz PPCPEOXCCFWXOS-HOTGVXAUSA-N 1 1 349.475 0.694 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001002477817 747409352 /nfs/dbraw/zinc/40/93/52/747409352.db2.gz XCRRKGQOEUTYSI-MRXNPFEDSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]2C1 ZINC001088115840 747423498 /nfs/dbraw/zinc/42/34/98/747423498.db2.gz QCWWGFHODXOQIO-KGLIPLIRSA-N 1 1 328.416 0.378 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2oncc2C)C1 ZINC000979229889 747426885 /nfs/dbraw/zinc/42/68/85/747426885.db2.gz DERPCOAKQWBWIC-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2oncc2C)C1 ZINC000979229889 747426888 /nfs/dbraw/zinc/42/68/88/747426888.db2.gz DERPCOAKQWBWIC-ZNMIVQPWSA-N 1 1 344.415 0.705 20 30 ECEDMO C[C@@H]([NH2+]Cc1cc(F)ccc1C#N)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979231841 747430781 /nfs/dbraw/zinc/43/07/81/747430781.db2.gz DNZDOTDMISOEIF-ABAIWWIYSA-N 1 1 348.378 0.278 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC001002515010 747454257 /nfs/dbraw/zinc/45/42/57/747454257.db2.gz FRZPYYAVTWVEAF-GJZGRUSLSA-N 1 1 343.431 0.901 20 30 ECEDMO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)[nH]1 ZINC000979269631 747474453 /nfs/dbraw/zinc/47/44/53/747474453.db2.gz MHJNMICWVCRQFF-HZMBPMFUSA-N 1 1 343.391 0.332 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)cn1 ZINC001029558567 747499476 /nfs/dbraw/zinc/49/94/76/747499476.db2.gz MGYVVNUYSNBMKA-CALCHBBNSA-N 1 1 336.399 0.643 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)cn1 ZINC001029558567 747499479 /nfs/dbraw/zinc/49/94/79/747499479.db2.gz MGYVVNUYSNBMKA-CALCHBBNSA-N 1 1 336.399 0.643 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001088149399 747526092 /nfs/dbraw/zinc/52/60/92/747526092.db2.gz AQAJIQNBKMOGSI-KGLIPLIRSA-N 1 1 344.415 0.542 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(C#N)cn2)C1 ZINC001059498695 747537593 /nfs/dbraw/zinc/53/75/93/747537593.db2.gz RNFWLEHMDBBWKG-WYQXTGKHSA-N 1 1 340.431 0.916 20 30 ECEDMO Cc1nonc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979295086 747558598 /nfs/dbraw/zinc/55/85/98/747558598.db2.gz QJGFEYHFKVHCMT-ABAIWWIYSA-N 1 1 344.375 0.597 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088164194 747561855 /nfs/dbraw/zinc/56/18/55/747561855.db2.gz ZITAZLFUUCHMSO-QLFBSQMISA-N 1 1 329.404 0.267 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(N)=O)C[C@@H]2C1 ZINC001088166487 747567242 /nfs/dbraw/zinc/56/72/42/747567242.db2.gz DGOWGXLFHJCXER-OWCLPIDISA-N 1 1 332.448 0.723 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979304902 747571971 /nfs/dbraw/zinc/57/19/71/747571971.db2.gz CDHZRYDJGLITKF-UXOAXIEHSA-N 1 1 343.431 0.709 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]2C1 ZINC001088169343 747583967 /nfs/dbraw/zinc/58/39/67/747583967.db2.gz RYYSGRQYBPOMDI-NEPJUHHUSA-N 1 1 346.387 0.314 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4n[nH]nc4C3)C[C@@H]2C1 ZINC001088169387 747584335 /nfs/dbraw/zinc/58/43/35/747584335.db2.gz UIIJHIVPMNOGSV-ZNMIVQPWSA-N 1 1 327.432 0.713 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH]nnc4C3)C[C@@H]2C1 ZINC001088169387 747584337 /nfs/dbraw/zinc/58/43/37/747584337.db2.gz UIIJHIVPMNOGSV-ZNMIVQPWSA-N 1 1 327.432 0.713 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH]nnc4C3)C[C@@H]2C1 ZINC001088169387 747584342 /nfs/dbraw/zinc/58/43/42/747584342.db2.gz UIIJHIVPMNOGSV-ZNMIVQPWSA-N 1 1 327.432 0.713 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C[C@@H]2C1 ZINC001088169387 747584346 /nfs/dbraw/zinc/58/43/46/747584346.db2.gz UIIJHIVPMNOGSV-ZNMIVQPWSA-N 1 1 327.432 0.713 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C[C@@H]2C1 ZINC001088169387 747584349 /nfs/dbraw/zinc/58/43/49/747584349.db2.gz UIIJHIVPMNOGSV-ZNMIVQPWSA-N 1 1 327.432 0.713 20 30 ECEDMO CCn1nc(C)c(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979312420 747596657 /nfs/dbraw/zinc/59/66/57/747596657.db2.gz IXFLAZCAQYOZNP-PBHICJAKSA-N 1 1 345.447 0.725 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncnn1CCF)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979329270 747622182 /nfs/dbraw/zinc/62/21/82/747622182.db2.gz IBYGRHBAGKPRJK-HIFRSBDPSA-N 1 1 349.410 0.367 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccnn2C)C1=O ZINC001027782965 747644000 /nfs/dbraw/zinc/64/40/00/747644000.db2.gz RSJNCJILLITDSR-UKRRQHHQSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccnn2C)C1=O ZINC001027782965 747644004 /nfs/dbraw/zinc/64/40/04/747644004.db2.gz RSJNCJILLITDSR-UKRRQHHQSA-N 1 1 331.420 0.401 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)nc1 ZINC001088174463 747676826 /nfs/dbraw/zinc/67/68/26/747676826.db2.gz XNKBLSCDQJTQMW-HLLBOEOZSA-N 1 1 338.411 0.345 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@@H]2C1 ZINC001088206437 747738743 /nfs/dbraw/zinc/73/87/43/747738743.db2.gz QPZMPYONCQZEST-IXDOHACOSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3COCCO3)CC2)C1 ZINC001088229225 747779562 /nfs/dbraw/zinc/77/95/62/747779562.db2.gz LRFBLSGOLHOTCO-IAGOWNOFSA-N 1 1 338.448 0.917 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001088233014 747788819 /nfs/dbraw/zinc/78/88/19/747788819.db2.gz FSAMWZFRLSMZJG-LSDHHAIUSA-N 1 1 337.420 0.610 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001088233300 747789565 /nfs/dbraw/zinc/78/95/65/747789565.db2.gz MMAJSQRXIQOXDG-MRXNPFEDSA-N 1 1 345.447 0.782 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001088233087 747789598 /nfs/dbraw/zinc/78/95/98/747789598.db2.gz HMYWGBFLWIMHNP-HNNXBMFYSA-N 1 1 331.420 0.391 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001088233579 747798422 /nfs/dbraw/zinc/79/84/22/747798422.db2.gz USUUYDZTIMMRAK-HNNXBMFYSA-N 1 1 331.420 0.391 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 ZINC001088234291 747801834 /nfs/dbraw/zinc/80/18/34/747801834.db2.gz NINFJWQXSVGUIG-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC001088234187 747801962 /nfs/dbraw/zinc/80/19/62/747801962.db2.gz KPUITKMEAHYIAN-INIZCTEOSA-N 1 1 349.475 0.851 20 30 ECEDMO C[N@@H+](C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)[C@H]1CCC(=O)NC1=O ZINC000985367589 747805807 /nfs/dbraw/zinc/80/58/07/747805807.db2.gz QSRUNFIGIJWFIU-AWEZNQCLSA-N 1 1 343.387 0.228 20 30 ECEDMO C[N@@H+](C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000985367591 747806080 /nfs/dbraw/zinc/80/60/80/747806080.db2.gz QSRUNFIGIJWFIU-CQSZACIVSA-N 1 1 343.387 0.228 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC001088235382 747815331 /nfs/dbraw/zinc/81/53/31/747815331.db2.gz QIGMSICOZDQLMK-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001088236756 747828030 /nfs/dbraw/zinc/82/80/30/747828030.db2.gz BYPAIEAATPPVBY-OAHLLOKOSA-N 1 1 346.435 0.177 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001002826520 747839917 /nfs/dbraw/zinc/83/99/17/747839917.db2.gz MCQRONOBKBOEQB-JTDSTZFVSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001002826520 747839925 /nfs/dbraw/zinc/83/99/25/747839925.db2.gz MCQRONOBKBOEQB-JTDSTZFVSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCc2ccoc2)C1 ZINC001002830492 747847496 /nfs/dbraw/zinc/84/74/96/747847496.db2.gz UISQTYHKDWNXQE-KRWDZBQOSA-N 1 1 343.427 0.884 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCc2ccoc2)C1 ZINC001002830492 747847501 /nfs/dbraw/zinc/84/75/01/747847501.db2.gz UISQTYHKDWNXQE-KRWDZBQOSA-N 1 1 343.427 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccsn2)C1 ZINC001002836191 747858933 /nfs/dbraw/zinc/85/89/33/747858933.db2.gz ROWBCRVURUBTRW-AWEZNQCLSA-N 1 1 332.429 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccsn2)C1 ZINC001002836191 747858938 /nfs/dbraw/zinc/85/89/38/747858938.db2.gz ROWBCRVURUBTRW-AWEZNQCLSA-N 1 1 332.429 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cocc2C)C1 ZINC001002836974 747860012 /nfs/dbraw/zinc/86/00/12/747860012.db2.gz WTVFLEBKCZUAQL-INIZCTEOSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cocc2C)C1 ZINC001002836974 747860021 /nfs/dbraw/zinc/86/00/21/747860021.db2.gz WTVFLEBKCZUAQL-INIZCTEOSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001088239109 747871707 /nfs/dbraw/zinc/87/17/07/747871707.db2.gz MYJIZQOQAHCETR-HNNXBMFYSA-N 1 1 331.420 0.771 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 ZINC001088239389 747884288 /nfs/dbraw/zinc/88/42/88/747884288.db2.gz UQBUHYUAZBNOJD-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001027805326 747920233 /nfs/dbraw/zinc/92/02/33/747920233.db2.gz QXADGRZZMRKHDD-RTBURBONSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccccc2)C1 ZINC001027805326 747920236 /nfs/dbraw/zinc/92/02/36/747920236.db2.gz QXADGRZZMRKHDD-RTBURBONSA-N 1 1 341.455 0.949 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001029641273 747959475 /nfs/dbraw/zinc/95/94/75/747959475.db2.gz FUCIWPWBTICAKF-LBPRGKRZSA-N 1 1 345.432 0.587 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813786 748011470 /nfs/dbraw/zinc/01/14/70/748011470.db2.gz BGGKAPWVVHBOIZ-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813786 748011476 /nfs/dbraw/zinc/01/14/76/748011476.db2.gz BGGKAPWVVHBOIZ-SMDDNHRTSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCS(=O)(=O)CC2)C1 ZINC001029677112 748039709 /nfs/dbraw/zinc/03/97/09/748039709.db2.gz JCJZNFBWUANHCW-HIFRSBDPSA-N 1 1 341.477 0.751 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC000979563638 748046839 /nfs/dbraw/zinc/04/68/39/748046839.db2.gz ONBQMAYJPVSTCW-DZKIICNBSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC000979563638 748046846 /nfs/dbraw/zinc/04/68/46/748046846.db2.gz ONBQMAYJPVSTCW-DZKIICNBSA-N 1 1 343.431 0.440 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3cn(C)cn3)C2)C1=O ZINC001029703347 748101121 /nfs/dbraw/zinc/10/11/21/748101121.db2.gz CSVQAPOIFGNAQL-GOEBONIOSA-N 1 1 345.447 0.601 20 30 ECEDMO C[C@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029708062 748110800 /nfs/dbraw/zinc/11/08/00/748110800.db2.gz KOMRKDKXASVQTQ-VXGBXAGGSA-N 1 1 342.407 0.565 20 30 ECEDMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029708062 748110805 /nfs/dbraw/zinc/11/08/05/748110805.db2.gz KOMRKDKXASVQTQ-VXGBXAGGSA-N 1 1 342.407 0.565 20 30 ECEDMO CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001029708404 748114271 /nfs/dbraw/zinc/11/42/71/748114271.db2.gz QIBKHBKMSPHKRZ-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2ccn(C)n2)CC1 ZINC001003055402 748123413 /nfs/dbraw/zinc/12/34/13/748123413.db2.gz HAKKELBIWFVYLR-KRWDZBQOSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2ccn(C)n2)CC1 ZINC001003055402 748123415 /nfs/dbraw/zinc/12/34/15/748123415.db2.gz HAKKELBIWFVYLR-KRWDZBQOSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2cnn(C)n2)CC1 ZINC000985473046 748206254 /nfs/dbraw/zinc/20/62/54/748206254.db2.gz FNOXTCIXZUVCEL-KRWDZBQOSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2cnn(C)n2)CC1 ZINC000985473046 748206262 /nfs/dbraw/zinc/20/62/62/748206262.db2.gz FNOXTCIXZUVCEL-KRWDZBQOSA-N 1 1 344.463 0.336 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC000979677166 748229680 /nfs/dbraw/zinc/22/96/80/748229680.db2.gz VYKZCTHCZPATJW-IHRRRGAJSA-N 1 1 343.431 0.805 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)CC[N@H+]1C ZINC001003150330 748233728 /nfs/dbraw/zinc/23/37/28/748233728.db2.gz HZZMUAABWXHJQK-NHMWIVBRSA-N 1 1 329.444 0.988 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(CCOC)nn3)C[C@@H]2C1 ZINC000979724984 748292719 /nfs/dbraw/zinc/29/27/19/748292719.db2.gz QLMZCFOYAOSRED-XHSDSOJGSA-N 1 1 345.447 0.778 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCN2C(=O)CCC2=O)[nH]1 ZINC001027833352 748322370 /nfs/dbraw/zinc/32/23/70/748322370.db2.gz MULLCIHINGJRTC-CYBMUJFWSA-N 1 1 343.387 0.230 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000979769382 748392336 /nfs/dbraw/zinc/39/23/36/748392336.db2.gz DIEARWASIMLGQZ-OBJOEFQTSA-N 1 1 329.404 0.463 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000979773033 748398867 /nfs/dbraw/zinc/39/88/67/748398867.db2.gz GBTUVYSXGRRZNF-OBJOEFQTSA-N 1 1 329.404 0.463 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001087427024 748419081 /nfs/dbraw/zinc/41/90/81/748419081.db2.gz IRSAJGNAHAJSDD-BZUAXINKSA-N 1 1 327.384 0.702 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001087427024 748419082 /nfs/dbraw/zinc/41/90/82/748419082.db2.gz IRSAJGNAHAJSDD-BZUAXINKSA-N 1 1 327.384 0.702 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cnco3)C2)C1=O ZINC001029799312 748465637 /nfs/dbraw/zinc/46/56/37/748465637.db2.gz XGSZTHZVFQKZKW-UONOGXRCSA-N 1 1 332.404 0.855 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3nnc(C)[nH]3)C2)C1=O ZINC001007308028 752274202 /nfs/dbraw/zinc/27/42/02/752274202.db2.gz JZHKQPGVFSOANB-ZIAGYGMSSA-N 1 1 346.435 0.023 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3nnc(C)[nH]3)C2)C1=O ZINC001007308028 752274208 /nfs/dbraw/zinc/27/42/08/752274208.db2.gz JZHKQPGVFSOANB-ZIAGYGMSSA-N 1 1 346.435 0.023 20 30 ECEDMO CC#CCNCc1cn([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001098728408 748520144 /nfs/dbraw/zinc/52/01/44/748520144.db2.gz OSUFYEFFUCCWEC-NVXWUHKLSA-N 1 1 344.463 0.649 20 30 ECEDMO CN1C[C@@H](C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)NC1=O ZINC001003436755 748555271 /nfs/dbraw/zinc/55/52/71/748555271.db2.gz KNWYXMPVFRMMFA-KRWDZBQOSA-N 1 1 340.427 0.642 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1=O ZINC000985586417 748654227 /nfs/dbraw/zinc/65/42/27/748654227.db2.gz IDDZJUOEJZQPLN-VVLHAWIVSA-N 1 1 347.459 0.589 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ocnc2C)C1 ZINC000979968676 748762072 /nfs/dbraw/zinc/76/20/72/748762072.db2.gz UVHNDPFVKPETDX-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ocnc2C)C1 ZINC000979968676 748762074 /nfs/dbraw/zinc/76/20/74/748762074.db2.gz UVHNDPFVKPETDX-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2oncc2C)C1 ZINC000979969176 748762860 /nfs/dbraw/zinc/76/28/60/748762860.db2.gz XYJOSXFRDWTFBH-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2oncc2C)C1 ZINC000979969176 748762862 /nfs/dbraw/zinc/76/28/62/748762862.db2.gz XYJOSXFRDWTFBH-KKUMJFAQSA-N 1 1 344.415 0.705 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC000985647358 748791896 /nfs/dbraw/zinc/79/18/96/748791896.db2.gz TUXSGQNRMLEVSA-SJORKVTESA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nc4ncc(C)cn4n3)C[C@@H]2C1 ZINC000980001008 748807520 /nfs/dbraw/zinc/80/75/20/748807520.db2.gz NPCLNCBYORRVOP-RRFJBIMHSA-N 1 1 338.415 0.896 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cnn(C)n2)CC1 ZINC000985658494 748827994 /nfs/dbraw/zinc/82/79/94/748827994.db2.gz SVUKAGKBZSGLLW-CVEARBPZSA-N 1 1 333.436 0.829 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cnn(C)n2)CC1 ZINC000985658494 748827997 /nfs/dbraw/zinc/82/79/97/748827997.db2.gz SVUKAGKBZSGLLW-CVEARBPZSA-N 1 1 333.436 0.829 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001003762287 748869675 /nfs/dbraw/zinc/86/96/75/748869675.db2.gz DACVHJLFGMXZNC-HZMVEIRTSA-N 1 1 329.444 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001003762287 748869683 /nfs/dbraw/zinc/86/96/83/748869683.db2.gz DACVHJLFGMXZNC-HZMVEIRTSA-N 1 1 329.444 0.705 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3cnon3)CC2)nn1 ZINC000985694771 748881519 /nfs/dbraw/zinc/88/15/19/748881519.db2.gz HNXUQEMZJXFHKV-UHFFFAOYSA-N 1 1 331.380 0.584 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@@H+](C)Cc3cnon3)CC2)nn1 ZINC000985694771 748881525 /nfs/dbraw/zinc/88/15/25/748881525.db2.gz HNXUQEMZJXFHKV-UHFFFAOYSA-N 1 1 331.380 0.584 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817466 748887817 /nfs/dbraw/zinc/88/78/17/748887817.db2.gz JDQNATXITYGENT-OAHLLOKOSA-N 1 1 327.469 0.868 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnnn2CC)C1=O ZINC001027870772 748928355 /nfs/dbraw/zinc/92/83/55/748928355.db2.gz CCRWVUMDJYIYBL-KBPBESRZSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnnn2CC)C1=O ZINC001027870772 748928358 /nfs/dbraw/zinc/92/83/58/748928358.db2.gz CCRWVUMDJYIYBL-KBPBESRZSA-N 1 1 346.435 0.279 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4nnnn4c3)C[C@H]2C1 ZINC000980144605 749061324 /nfs/dbraw/zinc/06/13/24/749061324.db2.gz PMGLNLYLDUINOC-BPUTZDHNSA-N 1 1 338.415 0.978 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(C)c[nH]c3CC(N)=O)C[C@H]2C1 ZINC000980150345 749073079 /nfs/dbraw/zinc/07/30/79/749073079.db2.gz BZCDLUZSLJONOR-SOUVJXGZSA-N 1 1 342.443 0.814 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C)c(C(N)=O)cn3)C[C@H]2C1 ZINC000980152808 749076201 /nfs/dbraw/zinc/07/62/01/749076201.db2.gz GADCQXXNHOSHJP-SOUVJXGZSA-N 1 1 340.427 0.952 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(C)c(C)nn(C)c3=O)C[C@@H]2C1 ZINC000980153988 749078784 /nfs/dbraw/zinc/07/87/84/749078784.db2.gz IMSZDINIHUJMSE-ARFHVFGLSA-N 1 1 342.443 0.861 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@H]3C2)c(F)c1 ZINC000980160244 749090813 /nfs/dbraw/zinc/09/08/13/749090813.db2.gz GSQVPCKCSYKVQX-AEGPPILISA-N 1 1 344.390 0.899 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)C[C@H]2C1 ZINC000980192459 749125262 /nfs/dbraw/zinc/12/52/62/749125262.db2.gz MYHNBIUHWISYQL-HRCADAONSA-N 1 1 338.473 0.661 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@H]3C2)cc1F ZINC000980186575 749138547 /nfs/dbraw/zinc/13/85/47/749138547.db2.gz OARUEVBCCAHYSZ-SOUVJXGZSA-N 1 1 344.390 0.899 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@H]3C2)c1 ZINC000980186644 749138658 /nfs/dbraw/zinc/13/86/58/749138658.db2.gz OGRUVGBXFMWJBW-HRCADAONSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@@H]3C2)ccc1F ZINC000980187912 749140906 /nfs/dbraw/zinc/14/09/06/749140906.db2.gz UTUZGKRYPJWVLI-NWANDNLSSA-N 1 1 344.390 0.899 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCCO2)[C@H](OC)C1 ZINC001211905776 749169320 /nfs/dbraw/zinc/16/93/20/749169320.db2.gz FPFSSDKSDFMNRQ-BZUAXINKSA-N 1 1 326.437 0.964 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001004074264 749184107 /nfs/dbraw/zinc/18/41/07/749184107.db2.gz HCNBYAFLABIMIU-AWEZNQCLSA-N 1 1 329.828 0.567 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]2C1 ZINC000980211854 749192125 /nfs/dbraw/zinc/19/21/25/749192125.db2.gz UWAMJHWICNVYEI-MJBXVCDLSA-N 1 1 348.447 0.720 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC000980231622 749228896 /nfs/dbraw/zinc/22/88/96/749228896.db2.gz MWUVBHHUHUKIQI-XHSDSOJGSA-N 1 1 347.463 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)[C@H]2CCOC2)CC1 ZINC000980251377 749257172 /nfs/dbraw/zinc/25/71/72/749257172.db2.gz WPLKLWTWQVBGIT-OTBWCIGPSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)[C@H]2CCOC2)CC1 ZINC000980251377 749257177 /nfs/dbraw/zinc/25/71/77/749257177.db2.gz WPLKLWTWQVBGIT-OTBWCIGPSA-N 1 1 347.459 0.664 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001060292868 761934016 /nfs/dbraw/zinc/93/40/16/761934016.db2.gz YSYTWFSTOZXZHP-OLZOCXBDSA-N 1 1 347.419 0.864 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3nccc3C)C2)nn1 ZINC001098739402 749328573 /nfs/dbraw/zinc/32/85/73/749328573.db2.gz GGMWQQYOSJOTCN-MRXNPFEDSA-N 1 1 343.435 0.922 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](CCNC(=O)C#CC2CC2)C1 ZINC001059679309 749406290 /nfs/dbraw/zinc/40/62/90/749406290.db2.gz GHCXJFIFRJZHDM-INIZCTEOSA-N 1 1 328.416 0.960 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)nc1 ZINC001029889748 749442919 /nfs/dbraw/zinc/44/29/19/749442919.db2.gz OCRSFFXQTUJIIR-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC(N)=O)CC2)[nH]1 ZINC001004409284 749472936 /nfs/dbraw/zinc/47/29/36/749472936.db2.gz VFFFHEJZDZESLK-OAHLLOKOSA-N 1 1 329.404 0.688 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC000986085405 749502015 /nfs/dbraw/zinc/50/20/15/749502015.db2.gz RJTUIVWORZQJHR-SJORKVTESA-N 1 1 340.427 0.912 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001004450110 749512794 /nfs/dbraw/zinc/51/27/94/749512794.db2.gz LKRPYWANGWQVNY-HNNXBMFYSA-N 1 1 326.462 0.920 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000986097450 749530808 /nfs/dbraw/zinc/53/08/08/749530808.db2.gz BDGVMQKZAFDEJN-AAEUAGOBSA-N 1 1 342.407 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001004467794 749535846 /nfs/dbraw/zinc/53/58/46/749535846.db2.gz DHSHUFCBRUETLS-ZFWWWQNUSA-N 1 1 326.462 0.756 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@H]3CCCN3CC#N)CC2)O1 ZINC001004469826 749537659 /nfs/dbraw/zinc/53/76/59/749537659.db2.gz QLSPLSVRKJWRQH-DJIMGWMZSA-N 1 1 334.464 0.932 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@H]3CCCN3CC#N)CC2)O1 ZINC001004469826 749537664 /nfs/dbraw/zinc/53/76/64/749537664.db2.gz QLSPLSVRKJWRQH-DJIMGWMZSA-N 1 1 334.464 0.932 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCNC2=O)CC1 ZINC001004476549 749546957 /nfs/dbraw/zinc/54/69/57/749546957.db2.gz LRGXESIJDLHRBF-MRXNPFEDSA-N 1 1 332.448 0.738 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001004509041 749581443 /nfs/dbraw/zinc/58/14/43/749581443.db2.gz WQUMYSLDFHHDQM-HOTGVXAUSA-N 1 1 332.448 0.736 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029921298 749622255 /nfs/dbraw/zinc/62/22/55/749622255.db2.gz GHUCIEROLZZVMG-DLBZAZTESA-N 1 1 340.427 0.794 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029921298 749622263 /nfs/dbraw/zinc/62/22/63/749622263.db2.gz GHUCIEROLZZVMG-DLBZAZTESA-N 1 1 340.427 0.794 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC001027939291 749643932 /nfs/dbraw/zinc/64/39/32/749643932.db2.gz MDODVFLENCVPEM-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC001027939291 749643937 /nfs/dbraw/zinc/64/39/37/749643937.db2.gz MDODVFLENCVPEM-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000980482597 749643961 /nfs/dbraw/zinc/64/39/61/749643961.db2.gz AAQNTNWERHDRDD-ZDUSSCGKSA-N 1 1 334.424 0.089 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000980574144 749801908 /nfs/dbraw/zinc/80/19/08/749801908.db2.gz DTRDEBORCXUJRK-MTSZKFMLSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000980574144 749801911 /nfs/dbraw/zinc/80/19/11/749801911.db2.gz DTRDEBORCXUJRK-MTSZKFMLSA-N 1 1 347.459 0.520 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001004794355 749875947 /nfs/dbraw/zinc/87/59/47/749875947.db2.gz ADMVNMLJNOKESO-RISCZKNCSA-N 1 1 342.407 0.583 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058844241 750071676 /nfs/dbraw/zinc/07/16/76/750071676.db2.gz XUCULPWEVCZTOG-OAHLLOKOSA-N 1 1 337.464 0.457 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058846694 750115737 /nfs/dbraw/zinc/11/57/37/750115737.db2.gz COCIBMKTDNNDHQ-HOTGVXAUSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001058848447 750158440 /nfs/dbraw/zinc/15/84/40/750158440.db2.gz FVMMLEPKZIMTSY-LSDHHAIUSA-N 1 1 339.480 0.724 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001058856813 750345554 /nfs/dbraw/zinc/34/55/54/750345554.db2.gz COGHXKCHJFEXQM-JSGCOSHPSA-N 1 1 349.822 0.950 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001058856813 750345562 /nfs/dbraw/zinc/34/55/62/750345562.db2.gz COGHXKCHJFEXQM-JSGCOSHPSA-N 1 1 349.822 0.950 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001028008805 750355842 /nfs/dbraw/zinc/35/58/42/750355842.db2.gz FOFVKQFHJVPWSZ-LBPRGKRZSA-N 1 1 330.413 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000986795481 750361425 /nfs/dbraw/zinc/36/14/25/750361425.db2.gz HKEIWNBLIJJXDI-INMHGKMJSA-N 1 1 349.475 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000986795481 750361429 /nfs/dbraw/zinc/36/14/29/750361429.db2.gz HKEIWNBLIJJXDI-INMHGKMJSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3CCCCO3)CC2)C1=O ZINC000980984410 750431991 /nfs/dbraw/zinc/43/19/91/750431991.db2.gz KCVCPBFPLYGPRU-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3CCCCO3)CC2)C1=O ZINC000980984410 750431996 /nfs/dbraw/zinc/43/19/96/750431996.db2.gz KCVCPBFPLYGPRU-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)Cc3cnn(C)c3)C2)nn1 ZINC001105352075 750466466 /nfs/dbraw/zinc/46/64/66/750466466.db2.gz OVPLFEAPMWWERZ-CYBMUJFWSA-N 1 1 343.435 0.549 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2)NC1=O ZINC001028075946 750524889 /nfs/dbraw/zinc/52/48/89/750524889.db2.gz GCEAQUQRKGCGFW-IAGOWNOFSA-N 1 1 340.427 0.642 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccccc2)NC1=O ZINC001028075946 750524893 /nfs/dbraw/zinc/52/48/93/750524893.db2.gz GCEAQUQRKGCGFW-IAGOWNOFSA-N 1 1 340.427 0.642 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001028086655 750615342 /nfs/dbraw/zinc/61/53/42/750615342.db2.gz XTMZGASDJJKYHE-OWYFMNJBSA-N 1 1 333.432 0.246 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cn(CC)nn2)CC1 ZINC000981365895 750628956 /nfs/dbraw/zinc/62/89/56/750628956.db2.gz ZKRWTGXRRGQVSQ-KRWDZBQOSA-N 1 1 344.463 0.430 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2cn(CC)nn2)CC1 ZINC000981365895 750628960 /nfs/dbraw/zinc/62/89/60/750628960.db2.gz ZKRWTGXRRGQVSQ-KRWDZBQOSA-N 1 1 344.463 0.430 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001005801488 750652033 /nfs/dbraw/zinc/65/20/33/750652033.db2.gz AGHOIVCZHUZRKG-ABAIWWIYSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001040183161 750666890 /nfs/dbraw/zinc/66/68/90/750666890.db2.gz XJNHARUEPKXSAC-GOSISDBHSA-N 1 1 337.464 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cnc(C)[nH]2)C1 ZINC001005817171 750677268 /nfs/dbraw/zinc/67/72/68/750677268.db2.gz ZJVJZKDFZFOXOH-LRDDRELGSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cnc(C)[nH]2)C1 ZINC001005817171 750677272 /nfs/dbraw/zinc/67/72/72/750677272.db2.gz ZJVJZKDFZFOXOH-LRDDRELGSA-N 1 1 343.431 0.392 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001075888555 750792089 /nfs/dbraw/zinc/79/20/89/750792089.db2.gz PMUIWSQEWMEXPZ-QWHCGFSZSA-N 1 1 327.812 0.130 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001075888555 750792093 /nfs/dbraw/zinc/79/20/93/750792093.db2.gz PMUIWSQEWMEXPZ-QWHCGFSZSA-N 1 1 327.812 0.130 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC000987413352 750809521 /nfs/dbraw/zinc/80/95/21/750809521.db2.gz FHQLEVONRCEAEN-BBRMVZONSA-N 1 1 338.415 0.513 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2conc2C)C1=O ZINC001028113320 750939927 /nfs/dbraw/zinc/93/99/27/750939927.db2.gz LCSYKXXUDTZSKG-ZFWWWQNUSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2conc2C)C1=O ZINC001028113320 750939930 /nfs/dbraw/zinc/93/99/30/750939930.db2.gz LCSYKXXUDTZSKG-ZFWWWQNUSA-N 1 1 332.404 0.964 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3ccn(C)n3)[C@@H]2C)CC1 ZINC000987575028 750976701 /nfs/dbraw/zinc/97/67/01/750976701.db2.gz HTTVUAGGINABNF-YJBOKZPZSA-N 1 1 343.475 0.844 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1=O ZINC000981753949 751057702 /nfs/dbraw/zinc/05/77/02/751057702.db2.gz PVCQXGGLRRNCOJ-CYBMUJFWSA-N 1 1 347.419 0.061 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1=O ZINC000981753949 751057708 /nfs/dbraw/zinc/05/77/08/751057708.db2.gz PVCQXGGLRRNCOJ-CYBMUJFWSA-N 1 1 347.419 0.061 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CCC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000981761552 751072877 /nfs/dbraw/zinc/07/28/77/751072877.db2.gz OECCOUCJXXOLQI-CQSZACIVSA-N 1 1 329.400 0.129 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)C1 ZINC000981767756 751080032 /nfs/dbraw/zinc/08/00/32/751080032.db2.gz VRSUMJWWACICAI-AWEZNQCLSA-N 1 1 343.431 0.873 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000981837891 751168329 /nfs/dbraw/zinc/16/83/29/751168329.db2.gz VBHZHQYOPFGFRK-UHFFFAOYSA-N 1 1 328.416 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001028137116 751185795 /nfs/dbraw/zinc/18/57/95/751185795.db2.gz GDPLKHONGPNJFT-AWEZNQCLSA-N 1 1 330.432 0.741 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1F ZINC001028139654 751190088 /nfs/dbraw/zinc/19/00/88/751190088.db2.gz AWWFPUPSNUANHX-KFWWJZLASA-N 1 1 344.390 0.899 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1F ZINC001028139654 751190089 /nfs/dbraw/zinc/19/00/89/751190089.db2.gz AWWFPUPSNUANHX-KFWWJZLASA-N 1 1 344.390 0.899 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC000981853755 751202825 /nfs/dbraw/zinc/20/28/25/751202825.db2.gz VEYNSPCFLRLJGM-UHFFFAOYSA-N 1 1 334.464 0.261 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)C1 ZINC001006290295 751206250 /nfs/dbraw/zinc/20/62/50/751206250.db2.gz WTBAXIIYPFTZPW-DZUCGIPZSA-N 1 1 329.444 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC000987806342 751211557 /nfs/dbraw/zinc/21/15/57/751211557.db2.gz NATALILVTBLJGI-OAGGEKHMSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC000987806342 751211560 /nfs/dbraw/zinc/21/15/60/751211560.db2.gz NATALILVTBLJGI-OAGGEKHMSA-N 1 1 335.448 0.426 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000981874266 751228801 /nfs/dbraw/zinc/22/88/01/751228801.db2.gz DKZNPJLMPUSNQI-UHFFFAOYSA-N 1 1 328.416 0.685 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2=CCOCC2)C1 ZINC001006312325 751230017 /nfs/dbraw/zinc/23/00/17/751230017.db2.gz DJUWPWQGYNIXAC-YOEHRIQHSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C2=CCOCC2)C1 ZINC001006312325 751230021 /nfs/dbraw/zinc/23/00/21/751230021.db2.gz DJUWPWQGYNIXAC-YOEHRIQHSA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cncnc2)C1 ZINC001006315371 751235328 /nfs/dbraw/zinc/23/53/28/751235328.db2.gz GNNRDTJFGUVGRH-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cncnc2)C1 ZINC001006315371 751235331 /nfs/dbraw/zinc/23/53/31/751235331.db2.gz GNNRDTJFGUVGRH-BBRMVZONSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ocnc2C)C1 ZINC001006323627 751245955 /nfs/dbraw/zinc/24/59/55/751245955.db2.gz YCVPVTLMKZSYSU-WFASDCNBSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ocnc2C)C1 ZINC001006323627 751245959 /nfs/dbraw/zinc/24/59/59/751245959.db2.gz YCVPVTLMKZSYSU-WFASDCNBSA-N 1 1 344.415 0.657 20 30 ECEDMO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3nnc[nH]3)C2)cc1C#N ZINC001020904432 752316271 /nfs/dbraw/zinc/31/62/71/752316271.db2.gz XWHMGVPKIDDWIJ-HDJSIYSDSA-N 1 1 340.387 0.664 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988619094 752386023 /nfs/dbraw/zinc/38/60/23/752386023.db2.gz FMCXHGSHJMBACA-MFKMUULPSA-N 1 1 340.391 0.601 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2[C@@H](C)C(=O)N(C)C)CC1 ZINC001028333105 752401506 /nfs/dbraw/zinc/40/15/06/752401506.db2.gz DQXFYOFOOJCEIW-RDJZCZTQSA-N 1 1 348.491 0.389 20 30 ECEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001212022327 752414110 /nfs/dbraw/zinc/41/41/10/752414110.db2.gz LUKIMEDCZJDLRG-BZUAXINKSA-N 1 1 326.437 0.964 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001059911391 752456920 /nfs/dbraw/zinc/45/69/20/752456920.db2.gz KILZIIUSIZCITG-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001059911391 752456923 /nfs/dbraw/zinc/45/69/23/752456923.db2.gz KILZIIUSIZCITG-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)nn1 ZINC001105368000 752466890 /nfs/dbraw/zinc/46/68/90/752466890.db2.gz MACCAUKJRBCOOY-AWEZNQCLSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)n(C)nc3Cl)C2)nn1 ZINC001105368200 752468200 /nfs/dbraw/zinc/46/82/00/752468200.db2.gz RGGKHBFIQJVLMZ-UHFFFAOYSA-N 1 1 349.826 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnc(C)nc2)C1 ZINC001007518844 752474738 /nfs/dbraw/zinc/47/47/38/752474738.db2.gz FZMWXDLBFPFVDF-ROUUACIJSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnc(C)nc2)C1 ZINC001007518844 752474742 /nfs/dbraw/zinc/47/47/42/752474742.db2.gz FZMWXDLBFPFVDF-ROUUACIJSA-N 1 1 341.459 0.963 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001007545165 752505420 /nfs/dbraw/zinc/50/54/20/752505420.db2.gz FALFKRXJXVGEET-KBPBESRZSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001007545165 752505425 /nfs/dbraw/zinc/50/54/25/752505425.db2.gz FALFKRXJXVGEET-KBPBESRZSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001007545171 752505611 /nfs/dbraw/zinc/50/56/11/752505611.db2.gz FALFKRXJXVGEET-ZIAGYGMSSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cn[nH]c(=O)c3)C2)C1=O ZINC001007545171 752505614 /nfs/dbraw/zinc/50/56/14/752505614.db2.gz FALFKRXJXVGEET-ZIAGYGMSSA-N 1 1 345.403 0.163 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC001126366682 752576064 /nfs/dbraw/zinc/57/60/64/752576064.db2.gz XTZFMAUNKMOAIA-GOSISDBHSA-N 1 1 344.415 0.466 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn[nH]c2)[C@@H]1C ZINC000988736334 752633742 /nfs/dbraw/zinc/63/37/42/752633742.db2.gz AHZPFRWVVZCXRN-SNPRPXQTSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn[nH]c2)[C@@H]1C ZINC000988736334 752633748 /nfs/dbraw/zinc/63/37/48/752633748.db2.gz AHZPFRWVVZCXRN-SNPRPXQTSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnnc2)[C@@H]1C ZINC000988734635 752636662 /nfs/dbraw/zinc/63/66/62/752636662.db2.gz LJTPMJVBQRBCJD-KBMXLJTQSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnnc2)[C@@H]1C ZINC000988734635 752636666 /nfs/dbraw/zinc/63/66/66/752636666.db2.gz LJTPMJVBQRBCJD-KBMXLJTQSA-N 1 1 341.415 0.293 20 30 ECEDMO N#Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC2CC2)c[nH]1 ZINC001021234464 752685466 /nfs/dbraw/zinc/68/54/66/752685466.db2.gz MHCAQFIBORWRLJ-VHRNVKJDSA-N 1 1 341.415 0.890 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cn(C)nc3C)C2)C1=O ZINC001028454385 752699533 /nfs/dbraw/zinc/69/95/33/752699533.db2.gz VAKPWSFFBGEAAK-HOCLYGCPSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001075921202 752728050 /nfs/dbraw/zinc/72/80/50/752728050.db2.gz MUZYOGWLJJAAMW-SOUVJXGZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001075922060 752742086 /nfs/dbraw/zinc/74/20/86/752742086.db2.gz BYUPFQVXIOERRR-GJZGRUSLSA-N 1 1 341.452 0.309 20 30 ECEDMO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001075922060 752742091 /nfs/dbraw/zinc/74/20/91/752742091.db2.gz BYUPFQVXIOERRR-GJZGRUSLSA-N 1 1 341.452 0.309 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c1 ZINC001028467515 752760817 /nfs/dbraw/zinc/76/08/17/752760817.db2.gz CWEBBRHUZPSCDW-OCCSQVGLSA-N 1 1 339.403 0.717 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)c1 ZINC001028467513 752761243 /nfs/dbraw/zinc/76/12/43/752761243.db2.gz CWEBBRHUZPSCDW-GXTWGEPZSA-N 1 1 339.403 0.717 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001028489021 752826121 /nfs/dbraw/zinc/82/61/21/752826121.db2.gz RIFALPDTMBMPPM-LBPRGKRZSA-N 1 1 340.387 0.937 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001028489021 752826126 /nfs/dbraw/zinc/82/61/26/752826126.db2.gz RIFALPDTMBMPPM-LBPRGKRZSA-N 1 1 340.387 0.937 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@@]2(C)C1 ZINC000982554394 752884439 /nfs/dbraw/zinc/88/44/39/752884439.db2.gz XAZAGIMWEVNIGI-OHQAAIJDSA-N 1 1 331.460 0.904 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn([C@@H](C)COC)nc2C)[C@@H](O)C1 ZINC001083460707 752886904 /nfs/dbraw/zinc/88/69/04/752886904.db2.gz UXRXYZHYDYATJL-MAZHCROVSA-N 1 1 336.436 0.750 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn([C@@H](C)COC)nc2C)[C@@H](O)C1 ZINC001083460707 752886906 /nfs/dbraw/zinc/88/69/06/752886906.db2.gz UXRXYZHYDYATJL-MAZHCROVSA-N 1 1 336.436 0.750 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001007745034 752890279 /nfs/dbraw/zinc/89/02/79/752890279.db2.gz KARKZPOHFPMJLU-CYBMUJFWSA-N 1 1 328.376 0.537 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001007745034 752890285 /nfs/dbraw/zinc/89/02/85/752890285.db2.gz KARKZPOHFPMJLU-CYBMUJFWSA-N 1 1 328.376 0.537 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)C3=CCOCC3)C2)C1=O ZINC001028497587 752892191 /nfs/dbraw/zinc/89/21/91/752892191.db2.gz AIUOPNSDTPNWKF-HOCLYGCPSA-N 1 1 333.432 0.558 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001028519313 753016183 /nfs/dbraw/zinc/01/61/83/753016183.db2.gz MSOONPSFZKUZHN-WFASDCNBSA-N 1 1 346.362 0.744 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001059941338 753093784 /nfs/dbraw/zinc/09/37/84/753093784.db2.gz KNVADEXSXPWKQC-HZPDHXFCSA-N 1 1 346.431 0.585 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C ZINC001007965394 753144159 /nfs/dbraw/zinc/14/41/59/753144159.db2.gz HUKZEORYEREWFP-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)C)C[C@H]1OCC ZINC000982661567 753239808 /nfs/dbraw/zinc/23/98/08/753239808.db2.gz FHCMVEORQAMMSI-IXDOHACOSA-N 1 1 349.475 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)C)C[C@H]1OCC ZINC000982661567 753239815 /nfs/dbraw/zinc/23/98/15/753239815.db2.gz FHCMVEORQAMMSI-IXDOHACOSA-N 1 1 349.475 0.720 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000938105309 753285815 /nfs/dbraw/zinc/28/58/15/753285815.db2.gz XCUKZCXXPVHBTP-GJZGRUSLSA-N 1 1 326.400 0.891 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(-c3ccoc3)no2)C1 ZINC001051494492 762205104 /nfs/dbraw/zinc/20/51/04/762205104.db2.gz ISCKTJWARSGBPX-DGCLKSJQSA-N 1 1 345.359 0.806 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC001051495171 762207541 /nfs/dbraw/zinc/20/75/41/762207541.db2.gz RMSFHKNKCUSGNQ-QWHCGFSZSA-N 1 1 334.424 0.510 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C3CC3)s2)C1 ZINC001051495785 762210019 /nfs/dbraw/zinc/21/00/19/762210019.db2.gz YFGVUXYPZCLNDA-ZYHUDNBSSA-N 1 1 335.433 0.892 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC001008214973 753472400 /nfs/dbraw/zinc/47/24/00/753472400.db2.gz QJSOHUGYNYHXHH-AWEZNQCLSA-N 1 1 325.376 0.476 20 30 ECEDMO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC001008214973 753472404 /nfs/dbraw/zinc/47/24/04/753472404.db2.gz QJSOHUGYNYHXHH-AWEZNQCLSA-N 1 1 325.376 0.476 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000982770079 753512007 /nfs/dbraw/zinc/51/20/07/753512007.db2.gz CIUKZZCSYKBHDE-ZFWWWQNUSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@@]2(C)C1 ZINC000982773501 753521184 /nfs/dbraw/zinc/52/11/84/753521184.db2.gz SVSIETNBUGMGLR-RYQLBKOJSA-N 1 1 333.432 0.037 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982793164 753603569 /nfs/dbraw/zinc/60/35/69/753603569.db2.gz RGSBUPMLUZKWSG-HDICACEKSA-N 1 1 331.416 0.329 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1F ZINC001008376031 753675612 /nfs/dbraw/zinc/67/56/12/753675612.db2.gz RFMXWQIKHQAYLF-DZGCQCFKSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1F ZINC001008376031 753675615 /nfs/dbraw/zinc/67/56/15/753675615.db2.gz RFMXWQIKHQAYLF-DZGCQCFKSA-N 1 1 345.378 0.459 20 30 ECEDMO CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583276 753864655 /nfs/dbraw/zinc/86/46/55/753864655.db2.gz QFKYTIDGYCZJGX-HIFRSBDPSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ncccn2)C1 ZINC001028601698 753883234 /nfs/dbraw/zinc/88/32/34/753883234.db2.gz TYQGJJUEBIGACL-HOTGVXAUSA-N 1 1 327.432 0.512 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ncccn2)C1 ZINC001028601698 753883237 /nfs/dbraw/zinc/88/32/37/753883237.db2.gz TYQGJJUEBIGACL-HOTGVXAUSA-N 1 1 327.432 0.512 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001028603520 753899284 /nfs/dbraw/zinc/89/92/84/753899284.db2.gz BWJXRBFTDKXOMH-JKSUJKDBSA-N 1 1 327.432 0.907 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001008575001 753926937 /nfs/dbraw/zinc/92/69/37/753926937.db2.gz NWLDFNSTXQKYMW-KFWWJZLASA-N 1 1 349.431 0.307 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@]3(C)CCOC3)CC2)C1=O ZINC000982872473 754046408 /nfs/dbraw/zinc/04/64/08/754046408.db2.gz VMXUHTSCEALGNJ-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@]3(C)CCOC3)CC2)C1=O ZINC000982872473 754046417 /nfs/dbraw/zinc/04/64/17/754046417.db2.gz VMXUHTSCEALGNJ-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cn(CC)nn3)C[C@H]2C)nn1 ZINC000989536983 754081205 /nfs/dbraw/zinc/08/12/05/754081205.db2.gz QRYZJJIEQUNGHF-OLZOCXBDSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nncn3C)C[C@H]2C)nn1 ZINC000989544076 754092670 /nfs/dbraw/zinc/09/26/70/754092670.db2.gz OUVFBVGIKXDULM-CHWSQXEVSA-N 1 1 344.423 0.376 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CCc3cnn(C)c3)C2)nn1 ZINC001008795147 754126480 /nfs/dbraw/zinc/12/64/80/754126480.db2.gz PWZVLBVRLPWCSP-HNNXBMFYSA-N 1 1 343.435 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ncccn2)C1 ZINC000982919721 754194973 /nfs/dbraw/zinc/19/49/73/754194973.db2.gz AALNZJUNYLULAQ-GJZGRUSLSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ncccn2)C1 ZINC000982919721 754194977 /nfs/dbraw/zinc/19/49/77/754194977.db2.gz AALNZJUNYLULAQ-GJZGRUSLSA-N 1 1 341.415 0.153 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2sccc2-n2cnnn2)C1 ZINC001028655966 754319370 /nfs/dbraw/zinc/31/93/70/754319370.db2.gz BFTPMHQVTLYZIS-GFCCVEGCSA-N 1 1 330.417 0.799 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3ccc[nH]3)CC2)C1=O ZINC000989709647 754342581 /nfs/dbraw/zinc/34/25/81/754342581.db2.gz RJMLHJIMRNLYEQ-INIZCTEOSA-N 1 1 330.432 0.878 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3ccc[nH]3)CC2)C1=O ZINC000989709647 754342590 /nfs/dbraw/zinc/34/25/90/754342590.db2.gz RJMLHJIMRNLYEQ-INIZCTEOSA-N 1 1 330.432 0.878 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000983008467 754413904 /nfs/dbraw/zinc/41/39/04/754413904.db2.gz GACZBZGIMINFMQ-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)CC[NH+]3CCCCC3)C2)nn1 ZINC001105377195 754504404 /nfs/dbraw/zinc/50/44/04/754504404.db2.gz UFCGQLPKXWVJAB-UHFFFAOYSA-N 1 1 344.463 0.650 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNc1nc(C#N)c(Cl)s1 ZINC001105869625 762306728 /nfs/dbraw/zinc/30/67/28/762306728.db2.gz XKHNCCNIPJQELV-VIFPVBQESA-N 1 1 345.856 0.897 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000983053515 754514443 /nfs/dbraw/zinc/51/44/43/754514443.db2.gz HWZXXOPBTMVPJS-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001028675665 754591160 /nfs/dbraw/zinc/59/11/60/754591160.db2.gz BAUCMWMDSIJWJK-CQSZACIVSA-N 1 1 334.420 0.518 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001060007880 754690398 /nfs/dbraw/zinc/69/03/98/754690398.db2.gz QULOPJZATRYXFY-JKSUJKDBSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)cn3)C2)C1 ZINC001060007880 754690402 /nfs/dbraw/zinc/69/04/02/754690402.db2.gz QULOPJZATRYXFY-JKSUJKDBSA-N 1 1 343.431 0.934 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000983228584 754926086 /nfs/dbraw/zinc/92/60/86/754926086.db2.gz OCTPAJXXUQPDLE-XHSDSOJGSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000983228584 754926089 /nfs/dbraw/zinc/92/60/89/754926089.db2.gz OCTPAJXXUQPDLE-XHSDSOJGSA-N 1 1 333.432 0.085 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)[nH]1 ZINC000990278054 754933556 /nfs/dbraw/zinc/93/35/56/754933556.db2.gz TZWGFBZDZZEOJK-CRAIPNDOSA-N 1 1 341.415 0.845 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3c(C)cnn3C)C2)C1=O ZINC001028748213 754961176 /nfs/dbraw/zinc/96/11/76/754961176.db2.gz SZFITAHUUOQJDJ-HUUCEWRRSA-N 1 1 345.447 0.567 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001028772640 755059889 /nfs/dbraw/zinc/05/98/89/755059889.db2.gz DWWUJIFBSNCDEN-WFASDCNBSA-N 1 1 345.378 0.317 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001009639685 755109664 /nfs/dbraw/zinc/10/96/64/755109664.db2.gz ZIVXQALTUVUYIG-CYBMUJFWSA-N 1 1 334.424 0.137 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000983306443 755116386 /nfs/dbraw/zinc/11/63/86/755116386.db2.gz SXULCPBWSQIVPY-KGLIPLIRSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)c[nH]1 ZINC001075703565 755135734 /nfs/dbraw/zinc/13/57/34/755135734.db2.gz HZVLMFBUYPQEAE-XJKSGUPXSA-N 1 1 341.415 0.655 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC001028793026 755141839 /nfs/dbraw/zinc/14/18/39/755141839.db2.gz PYWQYNKITPVLNO-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](CNc3cnc(C#N)cn3)C2)C1 ZINC001060034270 755155771 /nfs/dbraw/zinc/15/57/71/755155771.db2.gz DQSHQLVUVFDEHY-ZIAGYGMSSA-N 1 1 328.420 0.950 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001060034097 755158822 /nfs/dbraw/zinc/15/88/22/755158822.db2.gz AGEXBNSSAGWULQ-UONOGXRCSA-N 1 1 328.420 0.950 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001028808041 755196406 /nfs/dbraw/zinc/19/64/06/755196406.db2.gz ZSTSHUMNKHLFHQ-BBWFWOEESA-N 1 1 325.412 0.598 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CNS(=O)(=O)CC)C[C@]2(C)C1 ZINC001101257190 755265452 /nfs/dbraw/zinc/26/54/52/755265452.db2.gz JXSRNEJWNPDVDE-ZBFHGGJFSA-N 1 1 343.493 0.672 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)nn1 ZINC001028852086 755309746 /nfs/dbraw/zinc/30/97/46/755309746.db2.gz FEFBYMRBHOZZSN-LSDHHAIUSA-N 1 1 333.436 0.942 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001028899388 755433416 /nfs/dbraw/zinc/43/34/16/755433416.db2.gz JBFYEIAMYRJSNL-HUUCEWRRSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001028918608 755477097 /nfs/dbraw/zinc/47/70/97/755477097.db2.gz JPVZNSOLDOHIGT-ZIAGYGMSSA-N 1 1 346.431 0.962 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)nn1 ZINC001098654936 755597167 /nfs/dbraw/zinc/59/71/67/755597167.db2.gz DFWBVQDMKWUWKQ-GXTWGEPZSA-N 1 1 333.392 0.280 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(NC(C)=O)c2)[C@@H](O)C1 ZINC001083484226 755643799 /nfs/dbraw/zinc/64/37/99/755643799.db2.gz ZTQOTJKXEUYJBQ-SJORKVTESA-N 1 1 329.400 0.752 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(NC(C)=O)c2)[C@@H](O)C1 ZINC001083484226 755643803 /nfs/dbraw/zinc/64/38/03/755643803.db2.gz ZTQOTJKXEUYJBQ-SJORKVTESA-N 1 1 329.400 0.752 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(NC(C)=O)c2)[C@@H](O)C1 ZINC001083484110 755643812 /nfs/dbraw/zinc/64/38/12/755643812.db2.gz VSMQWAJDYXMUHK-SJORKVTESA-N 1 1 329.400 0.752 20 30 ECEDMO C=CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(C)=O)CC1 ZINC001105673006 755791487 /nfs/dbraw/zinc/79/14/87/755791487.db2.gz FCTMZZSPYTWMDX-OLMNPRSZSA-N 1 1 348.491 0.837 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccoc2C)CC1 ZINC001010211146 755819668 /nfs/dbraw/zinc/81/96/68/755819668.db2.gz AARSYAADYQRSMY-INIZCTEOSA-N 1 1 329.400 0.970 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccoc2C)CC1 ZINC001010211146 755819673 /nfs/dbraw/zinc/81/96/73/755819673.db2.gz AARSYAADYQRSMY-INIZCTEOSA-N 1 1 329.400 0.970 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083526164 755920996 /nfs/dbraw/zinc/92/09/96/755920996.db2.gz DYLPGCRTMXPCBE-ZBFHGGJFSA-N 1 1 346.431 0.071 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083526164 755920999 /nfs/dbraw/zinc/92/09/99/755920999.db2.gz DYLPGCRTMXPCBE-ZBFHGGJFSA-N 1 1 346.431 0.071 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088828349 755956749 /nfs/dbraw/zinc/95/67/49/755956749.db2.gz HZFYULGLCKWUNC-KBMXLJTQSA-N 1 1 326.400 0.299 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088828349 755956751 /nfs/dbraw/zinc/95/67/51/755956751.db2.gz HZFYULGLCKWUNC-KBMXLJTQSA-N 1 1 326.400 0.299 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088828883 755961047 /nfs/dbraw/zinc/96/10/47/755961047.db2.gz XNIHMACTOVNFML-KCXAZCMYSA-N 1 1 344.390 0.438 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088828883 755961051 /nfs/dbraw/zinc/96/10/51/755961051.db2.gz XNIHMACTOVNFML-KCXAZCMYSA-N 1 1 344.390 0.438 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+]CCNC(=O)Cc1n[nH]c(C)n1 ZINC001126912099 755965479 /nfs/dbraw/zinc/96/54/79/755965479.db2.gz CUSXXSDUAKWGQD-UHFFFAOYSA-N 1 1 328.376 0.442 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001010337057 756018866 /nfs/dbraw/zinc/01/88/66/756018866.db2.gz CBCKHLXRZOUMTD-UONOGXRCSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001010337057 756018869 /nfs/dbraw/zinc/01/88/69/756018869.db2.gz CBCKHLXRZOUMTD-UONOGXRCSA-N 1 1 331.420 0.320 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)nc3)[C@@H]2C1 ZINC001076109775 756095953 /nfs/dbraw/zinc/09/59/53/756095953.db2.gz WGOREYRUUJAVJF-JKSUJKDBSA-N 1 1 336.399 0.832 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccccc3C(N)=O)[C@@H]2C1 ZINC001076116941 756108935 /nfs/dbraw/zinc/10/89/35/756108935.db2.gz ARCGALOLSJXJCL-DOTOQJQBSA-N 1 1 325.412 0.884 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCC(=O)NC)C2)nn1 ZINC001098662129 756154644 /nfs/dbraw/zinc/15/46/44/756154644.db2.gz XTULBKZOJAVMDE-OAHLLOKOSA-N 1 1 348.451 0.634 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC[C@@H](CNc2ccnc(C#N)n2)C1)C1CCC1 ZINC001060103365 756155451 /nfs/dbraw/zinc/15/54/51/756155451.db2.gz VRXRNQLIWNSWAM-AWEZNQCLSA-N 1 1 342.447 0.905 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c1 ZINC001010467900 756159998 /nfs/dbraw/zinc/15/99/98/756159998.db2.gz DWKWFHJDVOZGCB-OCCSQVGLSA-N 1 1 329.404 0.607 20 30 ECEDMO O=C(C#CC1CC1)N1CCO[C@@H](C[NH2+]Cc2noc3c2COCC3)C1 ZINC001051608866 762457451 /nfs/dbraw/zinc/45/74/51/762457451.db2.gz LISSFPBTFLQHBG-AWEZNQCLSA-N 1 1 345.399 0.478 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001076267658 756305387 /nfs/dbraw/zinc/30/53/87/756305387.db2.gz CXLUYSAVZNTGJQ-QLFBSQMISA-N 1 1 328.420 0.182 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)[nH]1 ZINC001010641104 756339577 /nfs/dbraw/zinc/33/95/77/756339577.db2.gz AETKLSJLWVLZRH-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001076300275 756343100 /nfs/dbraw/zinc/34/31/00/756343100.db2.gz DZIQCIXURDPIPH-YOEHRIQHSA-N 1 1 341.452 0.047 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001076308514 756349953 /nfs/dbraw/zinc/34/99/53/756349953.db2.gz HNSZDUYJAUSVMZ-GUYCJALGSA-N 1 1 325.453 0.809 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)c1 ZINC001010668025 756373650 /nfs/dbraw/zinc/37/36/50/756373650.db2.gz LIYNUVPZEAJGCK-AWEZNQCLSA-N 1 1 326.360 0.246 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)c[nH]1 ZINC001010700249 756415916 /nfs/dbraw/zinc/41/59/16/756415916.db2.gz WWEMACGYWJWHNF-TZMCWYRMSA-N 1 1 325.376 0.469 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)CSC)C2 ZINC001010724609 756446093 /nfs/dbraw/zinc/44/60/93/756446093.db2.gz WILXYUQETGZTKT-HNNXBMFYSA-N 1 1 349.500 0.898 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)CSC)C2 ZINC001010724609 756446099 /nfs/dbraw/zinc/44/60/99/756446099.db2.gz WILXYUQETGZTKT-HNNXBMFYSA-N 1 1 349.500 0.898 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001010743940 756471804 /nfs/dbraw/zinc/47/18/04/756471804.db2.gz XHANAFAMATXMTE-ZFWWWQNUSA-N 1 1 331.420 0.494 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001010743940 756471806 /nfs/dbraw/zinc/47/18/06/756471806.db2.gz XHANAFAMATXMTE-ZFWWWQNUSA-N 1 1 331.420 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nn(C)cc1C ZINC001076444105 756506154 /nfs/dbraw/zinc/50/61/54/756506154.db2.gz NLTSVKJFHURGGC-GJZGRUSLSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nn(C)cc1C ZINC001076444105 756506156 /nfs/dbraw/zinc/50/61/56/756506156.db2.gz NLTSVKJFHURGGC-GJZGRUSLSA-N 1 1 345.447 0.451 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001076508819 756581060 /nfs/dbraw/zinc/58/10/60/756581060.db2.gz GMCXPBDLJXUMKG-GJZGRUSLSA-N 1 1 325.453 0.768 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)ccc1F ZINC001010842333 756592266 /nfs/dbraw/zinc/59/22/66/756592266.db2.gz PDCXZCZQGRSHTM-TZMCWYRMSA-N 1 1 332.335 0.496 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)ccc1F ZINC001010842333 756592271 /nfs/dbraw/zinc/59/22/71/756592271.db2.gz PDCXZCZQGRSHTM-TZMCWYRMSA-N 1 1 332.335 0.496 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1 ZINC001010844895 756595312 /nfs/dbraw/zinc/59/53/12/756595312.db2.gz WBMPCIBQKGGIHW-HIFRSBDPSA-N 1 1 344.371 0.388 20 30 ECEDMO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001076512317 756608303 /nfs/dbraw/zinc/60/83/03/756608303.db2.gz TWVDVXJNRBMXFY-JKSUJKDBSA-N 1 1 337.464 0.910 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076593869 756703250 /nfs/dbraw/zinc/70/32/50/756703250.db2.gz AQHXIHXZRJGVML-ZNMIVQPWSA-N 1 1 327.856 0.992 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076593869 756703255 /nfs/dbraw/zinc/70/32/55/756703255.db2.gz AQHXIHXZRJGVML-ZNMIVQPWSA-N 1 1 327.856 0.992 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)[nH]1 ZINC000990892725 756712951 /nfs/dbraw/zinc/71/29/51/756712951.db2.gz MGIDILJUQKCKGF-GDBMZVCRSA-N 1 1 341.415 0.844 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)Cn2cc[nH+]c2C)c1 ZINC001076600016 756716002 /nfs/dbraw/zinc/71/60/02/756716002.db2.gz PKZBOUWIBLXTNR-ZDUSSCGKSA-N 1 1 339.399 0.893 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011019688 756773322 /nfs/dbraw/zinc/77/33/22/756773322.db2.gz HHFZFASOLHGNAA-UHFFFAOYSA-N 1 1 326.360 0.376 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 ZINC001011020639 756775247 /nfs/dbraw/zinc/77/52/47/756775247.db2.gz KJUAHGKLAXZXHF-QFBILLFUSA-N 1 1 347.459 0.306 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 ZINC001011020639 756775251 /nfs/dbraw/zinc/77/52/51/756775251.db2.gz KJUAHGKLAXZXHF-QFBILLFUSA-N 1 1 347.459 0.306 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2cncc(C#N)n2)C1 ZINC001060129727 756824616 /nfs/dbraw/zinc/82/46/16/756824616.db2.gz VRRIEBOFVZGNGI-HUUCEWRRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2cncc(C#N)n2)C1 ZINC001060129727 756824622 /nfs/dbraw/zinc/82/46/22/756824622.db2.gz VRRIEBOFVZGNGI-HUUCEWRRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)nn2)C1 ZINC001060129903 756825822 /nfs/dbraw/zinc/82/58/22/756825822.db2.gz XLRJQBMBNOBMCU-CABCVRRESA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)nn2)C1 ZINC001060129903 756825827 /nfs/dbraw/zinc/82/58/27/756825827.db2.gz XLRJQBMBNOBMCU-CABCVRRESA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)nn2)C1 ZINC001060129905 756826106 /nfs/dbraw/zinc/82/61/06/756826106.db2.gz XLRJQBMBNOBMCU-HUUCEWRRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)nn2)C1 ZINC001060129905 756826111 /nfs/dbraw/zinc/82/61/11/756826111.db2.gz XLRJQBMBNOBMCU-HUUCEWRRSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2sccc2-n2ccnn2)[C@@H](O)C1 ZINC001083552363 756829804 /nfs/dbraw/zinc/82/98/04/756829804.db2.gz BONNCAIDBRMPDS-YPMHNXCESA-N 1 1 331.401 0.127 20 30 ECEDMO O=C(C#CC1CC1)N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001011111555 756941803 /nfs/dbraw/zinc/94/18/03/756941803.db2.gz OVSPWPDMDNZHQX-UHFFFAOYSA-N 1 1 340.427 0.846 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cncnc4)C[C@H]3C2)C1=O ZINC001048780970 756973140 /nfs/dbraw/zinc/97/31/40/756973140.db2.gz SPOGKZIZSZLVLW-XHSDSOJGSA-N 1 1 341.415 0.267 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011159698 757065448 /nfs/dbraw/zinc/06/54/48/757065448.db2.gz BUMVCOLXKJBQAC-PMPSAXMXSA-N 1 1 335.448 0.590 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001048832443 757135886 /nfs/dbraw/zinc/13/58/86/757135886.db2.gz LBBKGTFHCYCNTR-PMPSAXMXSA-N 1 1 349.475 0.550 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3ccc(=O)n(C)c3=O)CCC[C@@H]12 ZINC000990975067 757143356 /nfs/dbraw/zinc/14/33/56/757143356.db2.gz SZDLVZJXYCKLSI-KDOFPFPSSA-N 1 1 346.431 0.236 20 30 ECEDMO N#CCN1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001048860843 757208759 /nfs/dbraw/zinc/20/87/59/757208759.db2.gz DUIKBWNSUANQPO-HLLBOEOZSA-N 1 1 332.448 0.544 20 30 ECEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001048866232 757227375 /nfs/dbraw/zinc/22/73/75/757227375.db2.gz MBNKWCGCWBGJHC-GJZGRUSLSA-N 1 1 348.447 0.824 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nncs3)C[C@H]2C1 ZINC001048869877 757237549 /nfs/dbraw/zinc/23/75/49/757237549.db2.gz GKZQIYOMRYEXCV-ZNMIVQPWSA-N 1 1 345.472 0.526 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nncs3)C[C@H]2C1 ZINC001048869877 757237551 /nfs/dbraw/zinc/23/75/51/757237551.db2.gz GKZQIYOMRYEXCV-ZNMIVQPWSA-N 1 1 345.472 0.526 20 30 ECEDMO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001048873445 757250051 /nfs/dbraw/zinc/25/00/51/757250051.db2.gz GAJYWYJZOHJTIA-KKUMJFAQSA-N 1 1 337.464 0.571 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001048876755 757261496 /nfs/dbraw/zinc/26/14/96/757261496.db2.gz OSCRLJIRXVHDPY-BPUTZDHNSA-N 1 1 348.447 0.824 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001051636190 762534498 /nfs/dbraw/zinc/53/44/98/762534498.db2.gz CNXFPUNGOKBLIP-CYBMUJFWSA-N 1 1 341.843 0.911 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3ccnn3C)nn2)C1 ZINC001107173049 757277528 /nfs/dbraw/zinc/27/75/28/757277528.db2.gz ZDEYWXTXVDQKDS-ZDUSSCGKSA-N 1 1 343.435 0.864 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3C#N)C2)C1 ZINC001068464503 790323769 /nfs/dbraw/zinc/32/37/69/790323769.db2.gz ONQPFGOWKVBNFU-BPLDGKMQSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3C#N)C2)C1 ZINC001068464503 790323781 /nfs/dbraw/zinc/32/37/81/790323781.db2.gz ONQPFGOWKVBNFU-BPLDGKMQSA-N 1 1 329.404 0.591 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@H]2C1 ZINC001048894109 757320032 /nfs/dbraw/zinc/32/00/32/757320032.db2.gz XHDHWJDRSIUWPG-GASCZTMLSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@H]2C1 ZINC001048894109 757320044 /nfs/dbraw/zinc/32/00/44/757320044.db2.gz XHDHWJDRSIUWPG-GASCZTMLSA-N 1 1 338.473 0.757 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@H]2C1 ZINC001048911954 757376354 /nfs/dbraw/zinc/37/63/54/757376354.db2.gz ARTXWEOJQGRYGO-OKILXGFUSA-N 1 1 342.403 0.899 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000996328803 757384707 /nfs/dbraw/zinc/38/47/07/757384707.db2.gz CUJPEETWJHUHNU-QLFBSQMISA-N 1 1 333.436 0.733 20 30 ECEDMO C=CCCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)nn1 ZINC001021403752 757397752 /nfs/dbraw/zinc/39/77/52/757397752.db2.gz AOIHZUZTJDVHNE-AGUYFDCRSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)nn1 ZINC001021404116 757397821 /nfs/dbraw/zinc/39/78/21/757397821.db2.gz SGVFIADAHOECDZ-VYHDIPPYSA-N 1 1 344.419 0.078 20 30 ECEDMO C=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](CC)C(N)=O)nn1 ZINC001021403786 757398169 /nfs/dbraw/zinc/39/81/69/757398169.db2.gz CLWSLZPSLRPOBP-FLTXBFBQSA-N 1 1 346.435 0.453 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3cnc4c(c3)nnn4C)C[C@H]2C1 ZINC001048939924 757471892 /nfs/dbraw/zinc/47/18/92/757471892.db2.gz QHXSDSKYAODUNG-OKILXGFUSA-N 1 1 326.404 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001011315100 757491675 /nfs/dbraw/zinc/49/16/75/757491675.db2.gz ZPHVCYFVMCZYIF-OLZOCXBDSA-N 1 1 345.365 0.953 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001011315100 757491677 /nfs/dbraw/zinc/49/16/77/757491677.db2.gz ZPHVCYFVMCZYIF-OLZOCXBDSA-N 1 1 345.365 0.953 20 30 ECEDMO C#CCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)CCC1 ZINC001048949870 757495013 /nfs/dbraw/zinc/49/50/13/757495013.db2.gz QAFYEKSUCAVRFE-PMPSAXMXSA-N 1 1 347.459 0.304 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@H]2C1 ZINC001048954082 757503202 /nfs/dbraw/zinc/50/32/02/757503202.db2.gz JODVEUQAKNWGLV-GASCZTMLSA-N 1 1 339.399 0.947 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cnn(C)n3)C(C)(C)C2)nn1 ZINC000996389325 757518691 /nfs/dbraw/zinc/51/86/91/757518691.db2.gz NJMLJRKBFNHWOJ-AWEZNQCLSA-N 1 1 344.423 0.233 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]2C1 ZINC001048968011 757543412 /nfs/dbraw/zinc/54/34/12/757543412.db2.gz RIVRTFAISUPFMN-BETUJISGSA-N 1 1 330.388 0.152 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]3C2)cc1 ZINC001048973800 757563335 /nfs/dbraw/zinc/56/33/35/757563335.db2.gz ZARPWEYXUURAQF-IXDOHACOSA-N 1 1 325.412 0.936 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]3C2)cc1 ZINC001048973799 757563756 /nfs/dbraw/zinc/56/37/56/757563756.db2.gz ZARPWEYXUURAQF-BBWFWOEESA-N 1 1 325.412 0.936 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@H]3C2)c1 ZINC001048977846 757585008 /nfs/dbraw/zinc/58/50/08/757585008.db2.gz NGFTXOVBJIHBRS-IXDOHACOSA-N 1 1 338.411 0.585 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(CCOC)nn2)C1 ZINC001021583868 757639446 /nfs/dbraw/zinc/63/94/46/757639446.db2.gz IJJHRVOHJTWZLA-GDBMZVCRSA-N 1 1 331.420 0.484 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001021593841 757658632 /nfs/dbraw/zinc/65/86/32/757658632.db2.gz XUVGZRSEXPCURN-UONOGXRCSA-N 1 1 346.435 0.266 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000996435576 757670732 /nfs/dbraw/zinc/67/07/32/757670732.db2.gz KFTZQIYNRDXUQW-HNNXBMFYSA-N 1 1 339.439 0.879 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021615777 757689120 /nfs/dbraw/zinc/68/91/20/757689120.db2.gz GTRPIJRHCSTBDC-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021621228 757698077 /nfs/dbraw/zinc/69/80/77/757698077.db2.gz ZQYDKBFBPRDIFJ-GJZGRUSLSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CS(=O)(=O)C2)C1 ZINC001021621228 757698082 /nfs/dbraw/zinc/69/80/82/757698082.db2.gz ZQYDKBFBPRDIFJ-GJZGRUSLSA-N 1 1 326.462 0.920 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019762 757714082 /nfs/dbraw/zinc/71/40/82/757714082.db2.gz WBXSWIZDHQHDAG-XHSDSOJGSA-N 1 1 339.399 0.130 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021634258 757715003 /nfs/dbraw/zinc/71/50/03/757715003.db2.gz XWMWIQJTVAHKBE-JKSUJKDBSA-N 1 1 345.447 0.308 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001021653108 757741398 /nfs/dbraw/zinc/74/13/98/757741398.db2.gz TYFOIIGLCAYDDP-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)o4)C[C@@H]3C2)c1 ZINC001049047583 757773997 /nfs/dbraw/zinc/77/39/97/757773997.db2.gz NAYZHQYTCIZIKK-IYBDPMFKSA-N 1 1 337.383 0.958 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)o4)C[C@@H]3C2)c1 ZINC001049047583 757774007 /nfs/dbraw/zinc/77/40/07/757774007.db2.gz NAYZHQYTCIZIKK-IYBDPMFKSA-N 1 1 337.383 0.958 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cn(C2C[NH+](CCC)C2)nn1 ZINC001107216007 757796790 /nfs/dbraw/zinc/79/67/90/757796790.db2.gz SGBZXRXBWKQRMT-INIZCTEOSA-N 1 1 348.451 0.632 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cnccc2=O)C1 ZINC001021701590 757820167 /nfs/dbraw/zinc/82/01/67/757820167.db2.gz BCMYJGFENKMBSC-SJORKVTESA-N 1 1 342.443 0.970 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001021712564 757846220 /nfs/dbraw/zinc/84/62/20/757846220.db2.gz JWLOYLYYTLGELB-RYUDHWBXSA-N 1 1 346.387 0.456 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001049062941 757846598 /nfs/dbraw/zinc/84/65/98/757846598.db2.gz RFLHICONPMEWSU-KXNHARMFSA-N 1 1 342.237 0.407 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001049062941 757846607 /nfs/dbraw/zinc/84/66/07/757846607.db2.gz RFLHICONPMEWSU-KXNHARMFSA-N 1 1 342.237 0.407 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021724388 757864353 /nfs/dbraw/zinc/86/43/53/757864353.db2.gz LLWKIXCBYGZVPF-CABCVRRESA-N 1 1 333.436 0.389 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049068242 757869434 /nfs/dbraw/zinc/86/94/34/757869434.db2.gz OPFJALPOQBDAMK-JKJDWNRSSA-N 1 1 333.432 0.246 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)c3ccn[nH]3)[C@@H]2C)CC1 ZINC001011520679 757873879 /nfs/dbraw/zinc/87/38/79/757873879.db2.gz CGWZOQKWZDBHLZ-UKRRQHHQSA-N 1 1 343.431 0.474 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001076996503 757897522 /nfs/dbraw/zinc/89/75/22/757897522.db2.gz AFPHSZJFIDEGKN-DAXOMENPSA-N 1 1 334.420 0.197 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C[C@H]2C1 ZINC001049101082 757960033 /nfs/dbraw/zinc/96/00/33/757960033.db2.gz ZMIIEPVOYOKBJP-BBWFWOEESA-N 1 1 329.444 0.801 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3cncn3C)nn2)C1 ZINC001107233707 757976168 /nfs/dbraw/zinc/97/61/68/757976168.db2.gz PITNPLAUUMDDMO-UHFFFAOYSA-N 1 1 343.435 0.693 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001011552253 757980186 /nfs/dbraw/zinc/98/01/86/757980186.db2.gz JCOMEVLNTFWVES-GOSISDBHSA-N 1 1 337.464 0.982 20 30 ECEDMO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001049111613 757988084 /nfs/dbraw/zinc/98/80/84/757988084.db2.gz OXGKJCSTOPQRBC-PMPSAXMXSA-N 1 1 335.448 0.162 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4ccco4)C[C@H]3C2)C1=O ZINC001049124909 758042406 /nfs/dbraw/zinc/04/24/06/758042406.db2.gz MLUBDQRTGMJXNJ-HLLBOEOZSA-N 1 1 343.427 0.999 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001049145623 758120476 /nfs/dbraw/zinc/12/04/76/758120476.db2.gz WLKDPAZBAMCSPM-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO COCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001021984359 758130282 /nfs/dbraw/zinc/13/02/82/758130282.db2.gz UGSUBPHSQPUWDM-PHIMTYICSA-N 1 1 330.348 0.466 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001049150298 758134424 /nfs/dbraw/zinc/13/44/24/758134424.db2.gz SWMWBLMXAAKSHK-PMPSAXMXSA-N 1 1 339.480 0.961 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCC(C)=O)CCC[C@@H]12 ZINC001107279459 758144638 /nfs/dbraw/zinc/14/46/38/758144638.db2.gz AXZUKKKJROHKDO-VQIMIIECSA-N 1 1 347.459 0.856 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCCC(C)=O)CCC[C@@H]12 ZINC001107279459 758144643 /nfs/dbraw/zinc/14/46/43/758144643.db2.gz AXZUKKKJROHKDO-VQIMIIECSA-N 1 1 347.459 0.856 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001049159536 758171365 /nfs/dbraw/zinc/17/13/65/758171365.db2.gz MGWLWXYDXXMRIV-GJZGRUSLSA-N 1 1 339.480 0.959 20 30 ECEDMO Cn1ncc(C[N@@H+]2CC[C@@]3(CNC(=O)CSCC#N)CCC[C@@H]23)n1 ZINC001107289797 758177823 /nfs/dbraw/zinc/17/78/23/758177823.db2.gz QGGFMGTZCILCOJ-GDBMZVCRSA-N 1 1 348.476 0.933 20 30 ECEDMO Cn1ncc(C[N@H+]2CC[C@@]3(CNC(=O)CSCC#N)CCC[C@@H]23)n1 ZINC001107289797 758177828 /nfs/dbraw/zinc/17/78/28/758177828.db2.gz QGGFMGTZCILCOJ-GDBMZVCRSA-N 1 1 348.476 0.933 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc4c([nH]c3=O)CCOC4)C[C@H]2C1 ZINC001049161932 758180096 /nfs/dbraw/zinc/18/00/96/758180096.db2.gz KEQAUFJIOICZDH-GASCZTMLSA-N 1 1 341.411 0.887 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001049162446 758181514 /nfs/dbraw/zinc/18/15/14/758181514.db2.gz RMGQKGKVJPNBNI-BETUJISGSA-N 1 1 330.388 0.136 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CNC(=O)OC)CCC[C@@H]12 ZINC001107303028 758204327 /nfs/dbraw/zinc/20/43/27/758204327.db2.gz GSJUVBNCJKQKCH-RHSMWYFYSA-N 1 1 337.420 0.353 20 30 ECEDMO C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001022052794 758214546 /nfs/dbraw/zinc/21/45/46/758214546.db2.gz AJYNOLLVPQLNEJ-AOOOYVTPSA-N 1 1 328.214 0.801 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001077113794 758217579 /nfs/dbraw/zinc/21/75/79/758217579.db2.gz ZTDBNWTXINBOJA-HZPDHXFCSA-N 1 1 327.388 0.213 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)nc1 ZINC001049177460 758232097 /nfs/dbraw/zinc/23/20/97/758232097.db2.gz BVLPVQJHTGIORS-UXLLHSPISA-N 1 1 338.411 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)cn1 ZINC001049177727 758232653 /nfs/dbraw/zinc/23/26/53/758232653.db2.gz KSQYBZGWCBAYDF-HLLBOEOZSA-N 1 1 338.411 0.345 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001011670146 758261185 /nfs/dbraw/zinc/26/11/85/758261185.db2.gz YSODMAIIRWGHIW-SWLSCSKDSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001077125460 758290009 /nfs/dbraw/zinc/29/00/09/758290009.db2.gz VNDLMQWKQAOTFS-ULQDDVLXSA-N 1 1 348.491 0.437 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nc(C)n(C)c1=O ZINC001089895638 758293972 /nfs/dbraw/zinc/29/39/72/758293972.db2.gz FXWUWAYUTZPAOO-JONQDZQNSA-N 1 1 345.447 0.245 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C)CCC[C@@H]12 ZINC001107328918 758300645 /nfs/dbraw/zinc/30/06/45/758300645.db2.gz CAPBXXVCGUVGPV-FRQCXROJSA-N 1 1 348.491 0.744 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C)CCC[C@@H]12 ZINC001107328918 758300658 /nfs/dbraw/zinc/30/06/58/758300658.db2.gz CAPBXXVCGUVGPV-FRQCXROJSA-N 1 1 348.491 0.744 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3nnn(C)c3C)CCC[C@@H]12 ZINC001107341848 758340836 /nfs/dbraw/zinc/34/08/36/758340836.db2.gz ROYWTRBFHCMQBT-CRAIPNDOSA-N 1 1 345.447 0.748 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077147828 758345777 /nfs/dbraw/zinc/34/57/77/758345777.db2.gz JUWXCPXJXUDEDH-BFHYXJOUSA-N 1 1 325.453 0.929 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077147828 758345789 /nfs/dbraw/zinc/34/57/89/758345789.db2.gz JUWXCPXJXUDEDH-BFHYXJOUSA-N 1 1 325.453 0.929 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NCC2=CCN(c3nccnc3C#N)CC2)C1 ZINC001127758376 758355171 /nfs/dbraw/zinc/35/51/71/758355171.db2.gz WVSRUKIRDOBVQE-CQSZACIVSA-N 1 1 340.431 0.943 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001077163407 758392049 /nfs/dbraw/zinc/39/20/49/758392049.db2.gz OZEGQPAPCKGELN-JFIYKMOQSA-N 1 1 327.428 0.795 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4[nH]cnc4C)C[C@H]3C2)C1=O ZINC001049251783 758440233 /nfs/dbraw/zinc/44/02/33/758440233.db2.gz MZPCCBYAYLRKLO-ZNMIVQPWSA-N 1 1 343.431 0.509 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccc(C)n2)C1 ZINC001022220852 758440812 /nfs/dbraw/zinc/44/08/12/758440812.db2.gz RYHAQXBIBVGHMT-XHSDSOJGSA-N 1 1 327.432 0.619 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1n[nH]cc1F ZINC001078252988 782564351 /nfs/dbraw/zinc/56/43/51/782564351.db2.gz HMCVQMCYQNWCLN-AAEUAGOBSA-N 1 1 335.383 0.271 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cncs3)C2)c1 ZINC001077180899 758456198 /nfs/dbraw/zinc/45/61/98/758456198.db2.gz WHAKZDYJNBYUDU-HZPDHXFCSA-N 1 1 342.424 0.919 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cncs3)C2)c1 ZINC001077180899 758456207 /nfs/dbraw/zinc/45/62/07/758456207.db2.gz WHAKZDYJNBYUDU-HZPDHXFCSA-N 1 1 342.424 0.919 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC3(O)CCC3)CCC[C@@H]12 ZINC001107396032 758456314 /nfs/dbraw/zinc/45/63/14/758456314.db2.gz ZBJJMYWEKZJLNS-RHSMWYFYSA-N 1 1 348.447 0.292 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1n[nH]cc1F ZINC001078252988 782564358 /nfs/dbraw/zinc/56/43/58/782564358.db2.gz HMCVQMCYQNWCLN-AAEUAGOBSA-N 1 1 335.383 0.271 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12 ZINC001107397956 758462853 /nfs/dbraw/zinc/46/28/53/758462853.db2.gz DRPPQEQKESPQRC-NVXWUHKLSA-N 1 1 338.473 0.805 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12 ZINC001107397956 758462859 /nfs/dbraw/zinc/46/28/59/758462859.db2.gz DRPPQEQKESPQRC-NVXWUHKLSA-N 1 1 338.473 0.805 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC/C=C/CNc2cnc(C#N)cn2)no1 ZINC001107402254 758471925 /nfs/dbraw/zinc/47/19/25/758471925.db2.gz GMYKGYPFICAUGY-ONEGZZNKSA-N 1 1 341.375 0.796 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCCC)CC2 ZINC001107404682 758482299 /nfs/dbraw/zinc/48/22/99/758482299.db2.gz IVWJSRZLSAETPB-VQIMIIECSA-N 1 1 349.475 0.913 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001077200654 758509627 /nfs/dbraw/zinc/50/96/27/758509627.db2.gz YTZNVOMNQWYZAP-CHWSQXEVSA-N 1 1 330.392 0.174 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)c1 ZINC001077200462 758509893 /nfs/dbraw/zinc/50/98/93/758509893.db2.gz SDSLKWVCIIEDEQ-HUUCEWRRSA-N 1 1 339.355 0.029 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)c1 ZINC001077200462 758509900 /nfs/dbraw/zinc/50/99/00/758509900.db2.gz SDSLKWVCIIEDEQ-HUUCEWRRSA-N 1 1 339.355 0.029 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001049360463 758565244 /nfs/dbraw/zinc/56/52/44/758565244.db2.gz ATHJOOIERFNKSS-GJZGRUSLSA-N 1 1 334.420 0.578 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CCNS(C)(=O)=O)CCC[C@@H]12 ZINC001107430156 758571798 /nfs/dbraw/zinc/57/17/98/758571798.db2.gz ZXCBWRSHQBBRML-UKRRQHHQSA-N 1 1 329.466 0.473 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(N)=O ZINC001049381168 758600877 /nfs/dbraw/zinc/60/08/77/758600877.db2.gz GUXPVQRSIIWZPD-HOTGVXAUSA-N 1 1 326.400 0.999 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12 ZINC001107457746 758618988 /nfs/dbraw/zinc/61/89/88/758618988.db2.gz NNKKZGNGJMPMFX-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)C1 ZINC001107465467 758623324 /nfs/dbraw/zinc/62/33/24/758623324.db2.gz CBAZWZUJCIYHIX-ABCZVMIZSA-N 1 1 344.419 0.542 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C#N)[nH]1 ZINC001049425533 758669227 /nfs/dbraw/zinc/66/92/27/758669227.db2.gz MXEZHJAOTUMHAF-GJZGRUSLSA-N 1 1 329.404 0.653 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CNC(=O)OC)CC2(CCOCC2)C1 ZINC001099565958 758772774 /nfs/dbraw/zinc/77/27/74/758772774.db2.gz KVSUJZXKWLYJKZ-CQSZACIVSA-N 1 1 339.436 0.906 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001049474769 758779060 /nfs/dbraw/zinc/77/90/60/758779060.db2.gz RIRPCSWJJKQWHQ-ZIAGYGMSSA-N 1 1 331.416 0.470 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCCS1(=O)=O ZINC001049507180 758822161 /nfs/dbraw/zinc/82/21/61/758822161.db2.gz DEHCCALPHIGBRT-HUUCEWRRSA-N 1 1 341.477 0.663 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001077332484 758831000 /nfs/dbraw/zinc/83/10/00/758831000.db2.gz YCJQTECYBPYKNK-NVXWUHKLSA-N 1 1 325.368 0.326 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001077332484 758831011 /nfs/dbraw/zinc/83/10/11/758831011.db2.gz YCJQTECYBPYKNK-NVXWUHKLSA-N 1 1 325.368 0.326 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCC[C@@H]2[C@H]1CCN2CC#N ZINC001049516314 758841152 /nfs/dbraw/zinc/84/11/52/758841152.db2.gz BQVLPPUIJHCSKK-BZUAXINKSA-N 1 1 330.436 0.402 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049528053 758865012 /nfs/dbraw/zinc/86/50/12/758865012.db2.gz ZUQWGEPGFIJIPY-BFHYXJOUSA-N 1 1 334.420 0.616 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2cn[nH]n2)C1=O ZINC001049572169 758943604 /nfs/dbraw/zinc/94/36/04/758943604.db2.gz XURXVNHETDMCHP-ILXRZTDVSA-N 1 1 344.419 0.271 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCN1C(=O)CCC1=O ZINC001049579170 758957292 /nfs/dbraw/zinc/95/72/92/758957292.db2.gz DORKKABAAIRIKZ-GJZGRUSLSA-N 1 1 331.416 0.614 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCCCS1(=O)=O ZINC001049596965 758976612 /nfs/dbraw/zinc/97/66/12/758976612.db2.gz YCGUGDWWVJMRKN-CABCVRRESA-N 1 1 339.461 0.111 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049610116 758989815 /nfs/dbraw/zinc/98/98/15/758989815.db2.gz ZIUNTYSKMCEENA-SOUVJXGZSA-N 1 1 327.388 0.064 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001049615140 758997943 /nfs/dbraw/zinc/99/79/43/758997943.db2.gz IBFPJNJZOQKBKR-JKSUJKDBSA-N 1 1 339.403 0.922 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001049622648 759005335 /nfs/dbraw/zinc/00/53/35/759005335.db2.gz WXYIVKZGLQDIIM-WNRNVDISSA-N 1 1 347.459 0.711 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001049732490 759144966 /nfs/dbraw/zinc/14/49/66/759144966.db2.gz NOEMBQBXBCFXNS-QXSJWSMHSA-N 1 1 335.448 0.731 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)nn1 ZINC001022824617 759146846 /nfs/dbraw/zinc/14/68/46/759146846.db2.gz JASFIXHHCBJYCP-TXEJJXNPSA-N 1 1 343.391 0.775 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001049738070 759152722 /nfs/dbraw/zinc/15/27/22/759152722.db2.gz HPWZKCNYKTZCTG-BZUAXINKSA-N 1 1 342.447 0.714 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001049783294 759200431 /nfs/dbraw/zinc/20/04/31/759200431.db2.gz SXKBRJZEZQIKBU-IVSAIRAKSA-N 1 1 335.448 0.908 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001049783294 759200438 /nfs/dbraw/zinc/20/04/38/759200438.db2.gz SXKBRJZEZQIKBU-IVSAIRAKSA-N 1 1 335.448 0.908 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001049810324 759242427 /nfs/dbraw/zinc/24/24/27/759242427.db2.gz DHHZEUUQAZMUHG-KGLIPLIRSA-N 1 1 332.404 0.990 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c(C)cc(C)nc1=O ZINC001049814451 759246826 /nfs/dbraw/zinc/24/68/26/759246826.db2.gz NBGUCUBSOIDKMX-HZPDHXFCSA-N 1 1 328.416 0.559 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049824650 759258735 /nfs/dbraw/zinc/25/87/35/759258735.db2.gz JFNUGLQRUXIKMB-KGLIPLIRSA-N 1 1 346.431 0.405 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049831183 759266924 /nfs/dbraw/zinc/26/69/24/759266924.db2.gz KIYVQJVTGMXEBP-KBPBESRZSA-N 1 1 334.420 0.570 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001049839573 759277799 /nfs/dbraw/zinc/27/77/99/759277799.db2.gz IVSLEBKNGAPXGW-NWDGAFQWSA-N 1 1 346.387 0.599 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nc(C)ccc1=O ZINC001049852941 759304897 /nfs/dbraw/zinc/30/48/97/759304897.db2.gz BCXJZYDHFBSTFV-HZPDHXFCSA-N 1 1 328.416 0.640 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049872295 759327227 /nfs/dbraw/zinc/32/72/27/759327227.db2.gz QYLSUWMWYSGXJE-KGLIPLIRSA-N 1 1 348.447 0.958 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049880449 759337954 /nfs/dbraw/zinc/33/79/54/759337954.db2.gz ASJKVMMMZNMJEI-VXGBXAGGSA-N 1 1 340.811 0.356 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049880449 759337963 /nfs/dbraw/zinc/33/79/63/759337963.db2.gz ASJKVMMMZNMJEI-VXGBXAGGSA-N 1 1 340.811 0.356 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nn3cccnc23)C1 ZINC001047631304 759348524 /nfs/dbraw/zinc/34/85/24/759348524.db2.gz MMABYJFIFWPDBJ-KBPBESRZSA-N 1 1 327.388 0.178 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nn3cccnc23)C1 ZINC001047631304 759348533 /nfs/dbraw/zinc/34/85/33/759348533.db2.gz MMABYJFIFWPDBJ-KBPBESRZSA-N 1 1 327.388 0.178 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccn(C)c1=O ZINC001089890265 759401250 /nfs/dbraw/zinc/40/12/50/759401250.db2.gz QZRWKCDFVXVRPP-ORQFMDKSSA-N 1 1 325.412 0.801 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C(N)=O)nc1 ZINC001049926963 759412567 /nfs/dbraw/zinc/41/25/67/759412567.db2.gz GFRRVCAPBFXJDD-HZPDHXFCSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001054242141 767857785 /nfs/dbraw/zinc/85/77/85/767857785.db2.gz GFHUNCWSWVGBAN-MJGOQNOKSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cncnc3CC)C2)C1=O ZINC001032191269 759441772 /nfs/dbraw/zinc/44/17/72/759441772.db2.gz XHNFQFFROKWAIY-MRXNPFEDSA-N 1 1 343.431 0.488 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC001127023304 759508840 /nfs/dbraw/zinc/50/88/40/759508840.db2.gz IULCLLDBESNOEH-UHFFFAOYSA-N 1 1 332.326 0.685 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)[nH]1 ZINC001050024070 759563537 /nfs/dbraw/zinc/56/35/37/759563537.db2.gz BELWPFGNTOSESM-VBNZEHGJSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)c[nH]1 ZINC001050026326 759568140 /nfs/dbraw/zinc/56/81/40/759568140.db2.gz YUXARPJIEAGIKT-APHBMKBZSA-N 1 1 341.415 0.701 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001012245056 759568682 /nfs/dbraw/zinc/56/86/82/759568682.db2.gz SSKXSOAWKTZPID-ZDUSSCGKSA-N 1 1 338.371 0.711 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCCS3(=O)=O)[C@@H]2C1 ZINC001050066227 759645765 /nfs/dbraw/zinc/64/57/65/759645765.db2.gz GDVJNJMEPNIJBK-XHSDSOJGSA-N 1 1 338.473 0.900 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCCS3(=O)=O)[C@@H]2C1 ZINC001050066227 759645770 /nfs/dbraw/zinc/64/57/70/759645770.db2.gz GDVJNJMEPNIJBK-XHSDSOJGSA-N 1 1 338.473 0.900 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001050081638 759669091 /nfs/dbraw/zinc/66/90/91/759669091.db2.gz LAXCGEARWPHASK-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050099248 759700598 /nfs/dbraw/zinc/70/05/98/759700598.db2.gz XXFBRTRXMMQISV-KBPBESRZSA-N 1 1 340.493 0.938 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1ccc(C#N)cn1 ZINC001050105400 759713820 /nfs/dbraw/zinc/71/38/20/759713820.db2.gz CPIQNYIESSZUKQ-SNPRPXQTSA-N 1 1 329.404 0.367 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1ccc(C#N)cn1 ZINC001050105400 759713824 /nfs/dbraw/zinc/71/38/24/759713824.db2.gz CPIQNYIESSZUKQ-SNPRPXQTSA-N 1 1 329.404 0.367 20 30 ECEDMO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)n(C)c1=O ZINC001032211700 759718140 /nfs/dbraw/zinc/71/81/40/759718140.db2.gz XLZHLANKDQGWRA-UHFFFAOYSA-N 1 1 345.428 0.519 20 30 ECEDMO CN(C[C@@H](O)CN(C)c1ncc(C#N)cc1F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125111421 759718910 /nfs/dbraw/zinc/71/89/10/759718910.db2.gz WPJZZZJNSMWFOA-KGLIPLIRSA-N 1 1 349.410 0.300 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(CCN(C(=O)C(F)F)C3)C2)C1=O ZINC001040981470 759769715 /nfs/dbraw/zinc/76/97/15/759769715.db2.gz QAVUUANOVXXFIS-LRDDRELGSA-N 1 1 327.375 0.963 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)c1 ZINC001050136186 759779081 /nfs/dbraw/zinc/77/90/81/759779081.db2.gz USUOHTNBKUDMCB-DUVNUKRYSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)c1 ZINC001050136186 759779086 /nfs/dbraw/zinc/77/90/86/759779086.db2.gz USUOHTNBKUDMCB-DUVNUKRYSA-N 1 1 326.400 0.473 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001050146082 759798398 /nfs/dbraw/zinc/79/83/98/759798398.db2.gz LUQIIFQLOPKCCN-QLFBSQMISA-N 1 1 328.420 0.182 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC=C(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001017357593 767891561 /nfs/dbraw/zinc/89/15/61/767891561.db2.gz ZVUNNHFZGNQQSU-INIZCTEOSA-N 1 1 347.459 0.948 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC=C(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001017357593 767891567 /nfs/dbraw/zinc/89/15/67/767891567.db2.gz ZVUNNHFZGNQQSU-INIZCTEOSA-N 1 1 347.459 0.948 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)nn1 ZINC001050160891 759828168 /nfs/dbraw/zinc/82/81/68/759828168.db2.gz YRMRZQOFWPSHCD-KCQAQPDRSA-N 1 1 346.435 0.264 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)nn1 ZINC001050160891 759828176 /nfs/dbraw/zinc/82/81/76/759828176.db2.gz YRMRZQOFWPSHCD-KCQAQPDRSA-N 1 1 346.435 0.264 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH2+]Cc3nnn(C)n3)C2)nc1 ZINC001048034592 759862783 /nfs/dbraw/zinc/86/27/83/759862783.db2.gz ONHXCLJRJIRBEE-OCCSQVGLSA-N 1 1 339.403 0.227 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1 ZINC001050176043 759868564 /nfs/dbraw/zinc/86/85/64/759868564.db2.gz LNKZMILDOMVIMT-HLLBOEOZSA-N 1 1 343.431 0.484 20 30 ECEDMO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ccnc2)C1 ZINC001099556292 759872222 /nfs/dbraw/zinc/87/22/22/759872222.db2.gz IKVXJWQXAPHHCR-XSLAGTTESA-N 1 1 342.443 0.702 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccn4c(=O)[nH]nc34)[C@@H]2C1 ZINC001050180789 759883772 /nfs/dbraw/zinc/88/37/72/759883772.db2.gz NOOFARYEEZUCMF-DZGCQCFKSA-N 1 1 339.399 0.995 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H](CC)C(N)=O)C[C@H]32)nc1 ZINC001050186480 759898730 /nfs/dbraw/zinc/89/87/30/759898730.db2.gz PVBHRKBYPKDWCO-BHYGNILZSA-N 1 1 340.427 0.863 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050191035 759903685 /nfs/dbraw/zinc/90/36/85/759903685.db2.gz CBHPHUVLPYVFRI-SQWLQELKSA-N 1 1 341.477 0.567 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001212138833 759948580 /nfs/dbraw/zinc/94/85/80/759948580.db2.gz HXQUMNORHJESFN-HZPDHXFCSA-N 1 1 332.404 0.742 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccnc(-n4cncn4)c3)[C@@H]2C1 ZINC001050214443 759951009 /nfs/dbraw/zinc/95/10/09/759951009.db2.gz MXBVATLXGNFQKY-JKSUJKDBSA-N 1 1 336.399 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(COC)CCC1 ZINC001077434915 759961652 /nfs/dbraw/zinc/96/16/52/759961652.db2.gz RITWSMHHKGVEAG-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(COC)CCC1 ZINC001077434915 759961656 /nfs/dbraw/zinc/96/16/56/759961656.db2.gz RITWSMHHKGVEAG-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993015808 767906155 /nfs/dbraw/zinc/90/61/55/767906155.db2.gz PNFVCPQTBRJMRD-RDJZCZTQSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993015808 767906163 /nfs/dbraw/zinc/90/61/63/767906163.db2.gz PNFVCPQTBRJMRD-RDJZCZTQSA-N 1 1 338.415 0.694 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ncn2)[C@@H](O)C1 ZINC001083636613 759980559 /nfs/dbraw/zinc/98/05/59/759980559.db2.gz DQIPYHTZSMAJGU-MNOVXSKESA-N 1 1 328.294 0.294 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ncn2)[C@@H](O)C1 ZINC001083636613 759980563 /nfs/dbraw/zinc/98/05/63/759980563.db2.gz DQIPYHTZSMAJGU-MNOVXSKESA-N 1 1 328.294 0.294 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001050231668 760002248 /nfs/dbraw/zinc/00/22/48/760002248.db2.gz UPXZUPISQZYVRZ-KBPBESRZSA-N 1 1 346.435 0.342 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001012489542 760073782 /nfs/dbraw/zinc/07/37/82/760073782.db2.gz NGDCGMYOLYNXOI-BXUZGUMPSA-N 1 1 340.387 0.811 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127035301 760115775 /nfs/dbraw/zinc/11/57/75/760115775.db2.gz IKSSMUPDCJZCON-UHFFFAOYSA-N 1 1 347.394 0.709 20 30 ECEDMO COCCc1nc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)no1 ZINC001048250390 760163188 /nfs/dbraw/zinc/16/31/88/760163188.db2.gz BOUCTORUHAQHIK-ZFWWWQNUSA-N 1 1 346.431 0.856 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001098673403 760351197 /nfs/dbraw/zinc/35/11/97/760351197.db2.gz PWZRQTMERRBWMQ-GDBMZVCRSA-N 1 1 349.435 0.216 20 30 ECEDMO CCCC(=O)N1C[C@H](C)OC2(CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001111533841 767950684 /nfs/dbraw/zinc/95/06/84/767950684.db2.gz OFDQHXLRZRMKJZ-AWEZNQCLSA-N 1 1 336.436 0.508 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnnn1C1CCCCC1 ZINC001127046279 760456183 /nfs/dbraw/zinc/45/61/83/760456183.db2.gz PBATZMFRGOMRFH-KBPBESRZSA-N 1 1 348.451 0.983 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)no2)C1=O ZINC001032277199 760471096 /nfs/dbraw/zinc/47/10/96/760471096.db2.gz VUOLAMALMUETCZ-IHRRRGAJSA-N 1 1 330.388 0.669 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)no2)C1=O ZINC001032277199 760471099 /nfs/dbraw/zinc/47/10/99/760471099.db2.gz VUOLAMALMUETCZ-IHRRRGAJSA-N 1 1 330.388 0.669 20 30 ECEDMO C=CCCCCC[NH+]1CC(n2cc(CNC(=O)CNC(N)=O)nn2)C1 ZINC001107123308 760472093 /nfs/dbraw/zinc/47/20/93/760472093.db2.gz GGFGLNLQVNIELL-UHFFFAOYSA-N 1 1 349.439 0.166 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 ZINC001127717798 760480552 /nfs/dbraw/zinc/48/05/52/760480552.db2.gz UNSRQSPRGVBJID-UHFFFAOYSA-N 1 1 337.387 0.806 20 30 ECEDMO CO[C@@H](C)C[NH+]1CC(n2cc(CNC(=O)CSCC#N)nn2)C1 ZINC001107129926 760528181 /nfs/dbraw/zinc/52/81/81/760528181.db2.gz WWCXFZHHOGCJSU-NSHDSACASA-N 1 1 338.437 0.043 20 30 ECEDMO C#CCNC(=O)CC(=O)NC/C=C/CNc1cc(C)[nH+]c(CC)n1 ZINC001107130181 760534818 /nfs/dbraw/zinc/53/48/18/760534818.db2.gz GKGOZNFXJMHTNR-VOTSOKGWSA-N 1 1 329.404 0.571 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)n3cccn3)nn2)C1 ZINC001107135208 760613749 /nfs/dbraw/zinc/61/37/49/760613749.db2.gz PPVNNLXFAXVWHD-ZDUSSCGKSA-N 1 1 329.408 0.785 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)c[nH]1 ZINC001048517988 760648865 /nfs/dbraw/zinc/64/88/65/760648865.db2.gz JBPLVCHYVXNXOE-MWNCTCPHSA-N 1 1 341.415 0.748 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001048525742 760662201 /nfs/dbraw/zinc/66/22/01/760662201.db2.gz KJMKPQPJGKKCGF-JKJDWNRSSA-N 1 1 335.448 0.812 20 30 ECEDMO N#CCN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC001048525962 760662657 /nfs/dbraw/zinc/66/26/57/760662657.db2.gz LSOHPIZROMQICI-QEOTZNIISA-N 1 1 332.448 0.732 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(C)c(=O)cn1)C2 ZINC001048549395 760697743 /nfs/dbraw/zinc/69/77/43/760697743.db2.gz BDGBSVCCRWZXRD-QDMKHBRRSA-N 1 1 328.416 0.776 20 30 ECEDMO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001048558591 760715680 /nfs/dbraw/zinc/71/56/80/760715680.db2.gz SFAWSUUNUPWYIS-ILXRZTDVSA-N 1 1 337.464 0.713 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001048561596 760720034 /nfs/dbraw/zinc/72/00/34/760720034.db2.gz FBNCPQVUXLOLHY-PMPSAXMXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001050734769 760753429 /nfs/dbraw/zinc/75/34/29/760753429.db2.gz CLPJQHNMZXIKJJ-GOEBONIOSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc3[nH]c(CC)nc32)[C@@H](O)C1 ZINC001083662923 760756101 /nfs/dbraw/zinc/75/61/01/760756101.db2.gz PCEGZJGIMXNWGY-OLZOCXBDSA-N 1 1 327.388 0.319 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001048590289 760766554 /nfs/dbraw/zinc/76/65/54/760766554.db2.gz UNIYQXWBJZYNLC-MHORFTMASA-N 1 1 347.459 0.616 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)[C@H](C)CN3CCOCC3)C2)CC1 ZINC001050755566 760785072 /nfs/dbraw/zinc/78/50/72/760785072.db2.gz DUQAJRYHZBNADQ-QGZVFWFLSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[NH+](CCCO)CC3)CC1 ZINC001050765837 760808339 /nfs/dbraw/zinc/80/83/39/760808339.db2.gz YERRXZWVCWSURO-UHFFFAOYSA-N 1 1 333.476 0.638 20 30 ECEDMO COCc1noc(C[NH2+]C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC000991415786 760809608 /nfs/dbraw/zinc/80/96/08/760809608.db2.gz FKFUDNOFFPKQGR-UHFFFAOYSA-N 1 1 344.375 0.810 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C)no4)C[C@H]3C2)C1=O ZINC001048678360 760919983 /nfs/dbraw/zinc/91/99/83/760919983.db2.gz CNRVREHPCXMMII-ZNMIVQPWSA-N 1 1 344.415 0.774 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC000996000827 760924647 /nfs/dbraw/zinc/92/46/47/760924647.db2.gz FISJQKKXPLQGEL-BFJAYTPKSA-N 1 1 341.415 0.842 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1CC#Cc1ccccc1 ZINC001050848377 760993046 /nfs/dbraw/zinc/99/30/46/760993046.db2.gz HPDKILYEPQGDMI-OALUTQOASA-N 1 1 341.455 0.949 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1ccc(C#N)nn1 ZINC001048710471 760994339 /nfs/dbraw/zinc/99/43/39/760994339.db2.gz ADNNQQBYDYBUCG-AEGPPILISA-N 1 1 328.420 0.773 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)[C@@H](O)C1 ZINC001083673864 761002369 /nfs/dbraw/zinc/00/23/69/761002369.db2.gz BANILUWFCJRBLZ-YUELXQCFSA-N 1 1 334.420 0.655 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C(=O)C(C)(C)C)C[C@H]3C2)C1=O ZINC001048727344 761052980 /nfs/dbraw/zinc/05/29/80/761052980.db2.gz MKFWJMBLAGLBJG-QLFBSQMISA-N 1 1 347.459 0.779 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@@H]2C1 ZINC001048727877 761055747 /nfs/dbraw/zinc/05/57/47/761055747.db2.gz OCKJMRPHYFLQNK-WQVCFCJDSA-N 1 1 326.400 0.835 20 30 ECEDMO N#Cc1cc(C[N@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)ccc1F ZINC001048732906 761067545 /nfs/dbraw/zinc/06/75/45/761067545.db2.gz UTTOAOOYGOXHMY-OKILXGFUSA-N 1 1 330.363 0.463 20 30 ECEDMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048749788 761107711 /nfs/dbraw/zinc/10/77/11/761107711.db2.gz PNFBJQNGNRZWGI-BETUJISGSA-N 1 1 325.376 0.219 20 30 ECEDMO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC001048757574 761122866 /nfs/dbraw/zinc/12/28/66/761122866.db2.gz JDVUDMGGILYWOE-HOTGVXAUSA-N 1 1 335.448 0.304 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC000991477464 761126409 /nfs/dbraw/zinc/12/64/09/761126409.db2.gz GSXXSBZSHDIFSY-OAHLLOKOSA-N 1 1 346.435 0.278 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC000991480935 761147825 /nfs/dbraw/zinc/14/78/25/761147825.db2.gz VHGQNZCVEGDPEM-KRWDZBQOSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212148621 761254713 /nfs/dbraw/zinc/25/47/13/761254713.db2.gz OBDDLBJQDSASIT-GVDBMIGSSA-N 1 1 349.475 0.912 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001054550281 768038784 /nfs/dbraw/zinc/03/87/84/768038784.db2.gz CSEQSSOQIBMMMX-BXUZGUMPSA-N 1 1 342.407 0.704 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001051125208 761526206 /nfs/dbraw/zinc/52/62/06/761526206.db2.gz PBQAYVJOADSIOC-LSDHHAIUSA-N 1 1 348.451 0.409 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001051125208 761526213 /nfs/dbraw/zinc/52/62/13/761526213.db2.gz PBQAYVJOADSIOC-LSDHHAIUSA-N 1 1 348.451 0.409 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001054571557 768046108 /nfs/dbraw/zinc/04/61/08/768046108.db2.gz KCTNIVPORTUFFP-SMDDNHRTSA-N 1 1 342.407 0.533 20 30 ECEDMO C#CCN1CCOC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001051188438 761647044 /nfs/dbraw/zinc/64/70/44/761647044.db2.gz HSKPFPHWCPPPSI-MRXNPFEDSA-N 1 1 325.372 0.331 20 30 ECEDMO CCc1nc(NC[C@@H](O)CNC(=O)c2ccc(C#N)[nH]2)cc(C)[nH+]1 ZINC001105789176 761805221 /nfs/dbraw/zinc/80/52/21/761805221.db2.gz SWRDXJKZOSWZEU-GFCCVEGCSA-N 1 1 328.376 0.750 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCNC(=O)C3)cccc2C1 ZINC001051284572 761823911 /nfs/dbraw/zinc/82/39/11/761823911.db2.gz WSVZUKAGAPYBFK-AWEZNQCLSA-N 1 1 325.412 0.820 20 30 ECEDMO C=CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cccc2C1 ZINC001051302882 761853037 /nfs/dbraw/zinc/85/30/37/761853037.db2.gz RIKCUXMQXSZOKF-HNNXBMFYSA-N 1 1 342.399 0.445 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccn(CC)n3)C2)C1=O ZINC001014512047 762778545 /nfs/dbraw/zinc/77/85/45/762778545.db2.gz MXLGJDZBHASZDV-HOTGVXAUSA-N 1 1 345.447 0.423 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccn(CC)n3)C2)C1=O ZINC001014512047 762778550 /nfs/dbraw/zinc/77/85/50/762778550.db2.gz MXLGJDZBHASZDV-HOTGVXAUSA-N 1 1 345.447 0.423 20 30 ECEDMO Cc1nn[nH]c1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001051751285 762875333 /nfs/dbraw/zinc/87/53/33/762875333.db2.gz UVCDOOIEVLDGHV-LLVKDONJSA-N 1 1 346.416 0.677 20 30 ECEDMO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1C[N@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001017542147 768097261 /nfs/dbraw/zinc/09/72/61/768097261.db2.gz VPGXPIOKVJSUHG-ZACQAIPSSA-N 1 1 329.444 0.991 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1snc(C)c1C#N ZINC001105943898 762992689 /nfs/dbraw/zinc/99/26/89/762992689.db2.gz DPEDVGUHVNRTFO-NSHDSACASA-N 1 1 325.438 0.554 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1nc(Cl)c(C#N)s1 ZINC001105943914 762992819 /nfs/dbraw/zinc/99/28/19/762992819.db2.gz DUJSGGZEDGTUJM-VIFPVBQESA-N 1 1 345.856 0.899 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H](C[NH2+]Cc3cnn(CC)n3)C2)C1 ZINC001051815005 763029031 /nfs/dbraw/zinc/02/90/31/763029031.db2.gz OAJFLIJDLJRDLV-OAHLLOKOSA-N 1 1 333.436 0.971 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001046780017 763115296 /nfs/dbraw/zinc/11/52/96/763115296.db2.gz ZIZHAOMRIVTXIF-ORAYPTAESA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001046780017 763115298 /nfs/dbraw/zinc/11/52/98/763115298.db2.gz ZIZHAOMRIVTXIF-ORAYPTAESA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(CC)n2C)C1 ZINC001014769242 763124891 /nfs/dbraw/zinc/12/48/91/763124891.db2.gz JIZXIYXOFGRSKJ-CABCVRRESA-N 1 1 344.463 0.166 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(CC)n2C)C1 ZINC001014769242 763124894 /nfs/dbraw/zinc/12/48/94/763124894.db2.gz JIZXIYXOFGRSKJ-CABCVRRESA-N 1 1 344.463 0.166 20 30 ECEDMO CC#CCNCc1cn([C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)nn1 ZINC001098784148 768109091 /nfs/dbraw/zinc/10/90/91/768109091.db2.gz AGGBBIUTVPDVSW-MRXNPFEDSA-N 1 1 332.452 0.505 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(CC)o2)C1 ZINC001014777250 763136623 /nfs/dbraw/zinc/13/66/23/763136623.db2.gz WAYLXTOFAIIQDO-KGLIPLIRSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnc(CC)o2)C1 ZINC001014777250 763136628 /nfs/dbraw/zinc/13/66/28/763136628.db2.gz WAYLXTOFAIIQDO-KGLIPLIRSA-N 1 1 331.420 0.420 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001105973193 763139696 /nfs/dbraw/zinc/13/96/96/763139696.db2.gz WDHKWKMBXWYUBP-ZFWWWQNUSA-N 1 1 349.410 0.854 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C)n1 ZINC001089844765 763147742 /nfs/dbraw/zinc/14/77/42/763147742.db2.gz BAXDSOJEIASDMC-RNJOBUHISA-N 1 1 336.827 0.745 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001046815979 763167192 /nfs/dbraw/zinc/16/71/92/763167192.db2.gz FXLLZDVIWDLQTP-RDTXWAMCSA-N 1 1 344.415 0.768 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001046821014 763173071 /nfs/dbraw/zinc/17/30/71/763173071.db2.gz PPDQOHGGPVCYSZ-QGZVFWFLSA-N 1 1 326.404 0.959 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001046821014 763173073 /nfs/dbraw/zinc/17/30/73/763173073.db2.gz PPDQOHGGPVCYSZ-QGZVFWFLSA-N 1 1 326.404 0.959 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001054638826 768113669 /nfs/dbraw/zinc/11/36/69/768113669.db2.gz QOOCWFGFYWDUAQ-UKRRQHHQSA-N 1 1 327.432 0.964 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ncc(C#N)cc3F)C2)C1 ZINC001051878770 763188600 /nfs/dbraw/zinc/18/86/00/763188600.db2.gz NZDKQZLJJBWHOX-ABIUDSBCSA-N 1 1 347.394 0.730 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2CC(Nc3ncc(C#N)cc3F)C2)C1 ZINC001051878770 763188605 /nfs/dbraw/zinc/18/86/05/763188605.db2.gz NZDKQZLJJBWHOX-ABIUDSBCSA-N 1 1 347.394 0.730 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)cc1 ZINC001014812607 763216083 /nfs/dbraw/zinc/21/60/83/763216083.db2.gz UFYHEEBKJMVJRD-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)cn1 ZINC001051906893 763298384 /nfs/dbraw/zinc/29/83/84/763298384.db2.gz SZYOISKDHFTUJC-HNNXBMFYSA-N 1 1 327.344 0.077 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]2O)C1 ZINC000991766214 763333924 /nfs/dbraw/zinc/33/39/24/763333924.db2.gz XUFXZKOZQRCEKH-CABCVRRESA-N 1 1 346.431 0.777 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046927357 763401248 /nfs/dbraw/zinc/40/12/48/763401248.db2.gz YCFWYSHYNNNANW-ZIAGYGMSSA-N 1 1 331.407 0.967 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001046931058 763409225 /nfs/dbraw/zinc/40/92/25/763409225.db2.gz PTDDIRZCWKUAKO-KBPBESRZSA-N 1 1 331.407 0.967 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001046944617 763433297 /nfs/dbraw/zinc/43/32/97/763433297.db2.gz OMMBWDBUNAFXQA-LLVKDONJSA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001046944617 763433303 /nfs/dbraw/zinc/43/33/03/763433303.db2.gz OMMBWDBUNAFXQA-LLVKDONJSA-N 1 1 334.330 0.445 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ncnn2CCC)C1 ZINC001030462358 763437980 /nfs/dbraw/zinc/43/79/80/763437980.db2.gz SIJNRJQUIMZINY-HNNXBMFYSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ncnn2CCC)C1 ZINC001030462358 763437987 /nfs/dbraw/zinc/43/79/87/763437987.db2.gz SIJNRJQUIMZINY-HNNXBMFYSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046962519 763471210 /nfs/dbraw/zinc/47/12/10/763471210.db2.gz MLHMCBTUUYHHCL-NWDGAFQWSA-N 1 1 328.363 0.107 20 30 ECEDMO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCCc3[nH+]ccn32)nn1 ZINC001105995123 763482656 /nfs/dbraw/zinc/48/26/56/763482656.db2.gz NJZDLAAZHKTMAJ-CHWSQXEVSA-N 1 1 341.375 0.011 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001046967884 763483795 /nfs/dbraw/zinc/48/37/95/763483795.db2.gz ZLIIDHUIQPCYCF-CHWSQXEVSA-N 1 1 327.375 0.704 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001046967884 763483799 /nfs/dbraw/zinc/48/37/99/763483799.db2.gz ZLIIDHUIQPCYCF-CHWSQXEVSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001046973009 763492832 /nfs/dbraw/zinc/49/28/32/763492832.db2.gz WZEADEIOQRIDRL-VXGBXAGGSA-N 1 1 337.374 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001046973009 763492839 /nfs/dbraw/zinc/49/28/39/763492839.db2.gz WZEADEIOQRIDRL-VXGBXAGGSA-N 1 1 337.374 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001046989062 763521780 /nfs/dbraw/zinc/52/17/80/763521780.db2.gz SFJXFSPZZADZOK-KBPBESRZSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001046989062 763521783 /nfs/dbraw/zinc/52/17/83/763521783.db2.gz SFJXFSPZZADZOK-KBPBESRZSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001046995375 763534091 /nfs/dbraw/zinc/53/40/91/763534091.db2.gz IOCVCPOQRYCMRJ-HUUCEWRRSA-N 1 1 343.418 0.804 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)CC1 ZINC001052011123 763580950 /nfs/dbraw/zinc/58/09/50/763580950.db2.gz NDUCMDBKTBCOHE-MRXNPFEDSA-N 1 1 328.416 0.643 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001089859978 763587359 /nfs/dbraw/zinc/58/73/59/763587359.db2.gz UCZAJLNWBCYRCO-FQLMCAECSA-N 1 1 328.416 0.931 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=NC(=O)N(C)C1 ZINC001089859978 763587366 /nfs/dbraw/zinc/58/73/66/763587366.db2.gz UCZAJLNWBCYRCO-FQLMCAECSA-N 1 1 328.416 0.931 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1=NC(=O)N(C)C1 ZINC001089859978 763587371 /nfs/dbraw/zinc/58/73/71/763587371.db2.gz UCZAJLNWBCYRCO-FQLMCAECSA-N 1 1 328.416 0.931 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cccnc3)C2)CC1 ZINC001052014260 763587959 /nfs/dbraw/zinc/58/79/59/763587959.db2.gz DJTJSLBWTNVOKP-SFHVURJKSA-N 1 1 326.444 0.866 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2ccncc2C#N)C1 ZINC001106004076 763610473 /nfs/dbraw/zinc/61/04/73/763610473.db2.gz LMHDGDSWJHHHRK-HOCLYGCPSA-N 1 1 345.447 0.242 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(OC)ncn3)C2)CC1 ZINC001052026144 763619088 /nfs/dbraw/zinc/61/90/88/763619088.db2.gz ASTAWEIGQISQFO-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052026773 763620192 /nfs/dbraw/zinc/62/01/92/763620192.db2.gz SYKVGVWEKMEHKG-IAGOWNOFSA-N 1 1 333.480 0.601 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)C2)CC1 ZINC001052028189 763623583 /nfs/dbraw/zinc/62/35/83/763623583.db2.gz OPXNUODODVUVHA-GJZGRUSLSA-N 1 1 342.447 0.572 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030073 763627906 /nfs/dbraw/zinc/62/79/06/763627906.db2.gz GVPOHJXRJDTWFL-JKSUJKDBSA-N 1 1 331.464 0.928 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030073 763627912 /nfs/dbraw/zinc/62/79/12/763627912.db2.gz GVPOHJXRJDTWFL-JKSUJKDBSA-N 1 1 331.464 0.928 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)CC[N@H+]1C ZINC001052031246 763631758 /nfs/dbraw/zinc/63/17/58/763631758.db2.gz IBJLGMAXIKNASR-IXDOHACOSA-N 1 1 333.480 0.459 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccnn3C)C2)CC1 ZINC001052035751 763645083 /nfs/dbraw/zinc/64/50/83/763645083.db2.gz OVSYNMJSHKHSGG-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C4CC4)nn3C)C2)CC1 ZINC001052035921 763645378 /nfs/dbraw/zinc/64/53/78/763645378.db2.gz UIEIEWHMTQLYQM-MRXNPFEDSA-N 1 1 341.459 0.763 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036681 763650574 /nfs/dbraw/zinc/65/05/74/763650574.db2.gz SIKDOJCXANQRHY-ROUUACIJSA-N 1 1 332.492 0.568 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037320 763654938 /nfs/dbraw/zinc/65/49/38/763654938.db2.gz KUDMLVNUBXXBMD-QGZVFWFLSA-N 1 1 331.464 0.676 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037320 763654942 /nfs/dbraw/zinc/65/49/42/763654942.db2.gz KUDMLVNUBXXBMD-QGZVFWFLSA-N 1 1 331.464 0.676 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052044728 763680472 /nfs/dbraw/zinc/68/04/72/763680472.db2.gz KYWRJSPCSRVTTQ-MSOLQXFVSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3CCC(C(N)=O)CC3)C2)CC1 ZINC001052045659 763682900 /nfs/dbraw/zinc/68/29/00/763682900.db2.gz VWLGYEKISUTBTK-OFLPRAFFSA-N 1 1 346.475 0.130 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1OC ZINC001212185410 763684906 /nfs/dbraw/zinc/68/49/06/763684906.db2.gz ULYQPLPXIKKTSM-BRWVUGGUSA-N 1 1 340.464 0.639 20 30 ECEDMO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015025069 763692397 /nfs/dbraw/zinc/69/23/97/763692397.db2.gz OWSFBSBIBKZRMW-OALUTQOASA-N 1 1 341.455 0.949 20 30 ECEDMO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015025069 763692399 /nfs/dbraw/zinc/69/23/99/763692399.db2.gz OWSFBSBIBKZRMW-OALUTQOASA-N 1 1 341.455 0.949 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)CC1 ZINC001052047903 763692447 /nfs/dbraw/zinc/69/24/47/763692447.db2.gz FGDXYQUCAHKWIL-MRXNPFEDSA-N 1 1 330.432 0.403 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)CC1 ZINC001052047903 763692451 /nfs/dbraw/zinc/69/24/51/763692451.db2.gz FGDXYQUCAHKWIL-MRXNPFEDSA-N 1 1 330.432 0.403 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)ccc3=O)C2)CC1 ZINC001052049440 763701635 /nfs/dbraw/zinc/70/16/35/763701635.db2.gz LRINEBMOFREPNN-MRXNPFEDSA-N 1 1 342.443 0.241 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3onc(C)c32)C1 ZINC001077472659 763719045 /nfs/dbraw/zinc/71/90/45/763719045.db2.gz KQYQKMILKSSFPW-ZIAGYGMSSA-N 1 1 328.372 0.638 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3onc(C)c32)C1 ZINC001077472659 763719049 /nfs/dbraw/zinc/71/90/49/763719049.db2.gz KQYQKMILKSSFPW-ZIAGYGMSSA-N 1 1 328.372 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccnc(OC)c2)C1 ZINC000995147313 763740391 /nfs/dbraw/zinc/74/03/91/763740391.db2.gz KNQPKXJTQHEWFM-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccnc(OC)c2)C1 ZINC000995147313 763740401 /nfs/dbraw/zinc/74/04/01/763740401.db2.gz KNQPKXJTQHEWFM-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001052068664 763763330 /nfs/dbraw/zinc/76/33/30/763763330.db2.gz MBAUWIQWTDMABE-RTBURBONSA-N 1 1 346.519 0.960 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069209 763764740 /nfs/dbraw/zinc/76/47/40/763764740.db2.gz UAOLIOPSFVWDCY-APWZRJJASA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nnn(CC)c3CC)C2)CC1 ZINC001052081193 763797950 /nfs/dbraw/zinc/79/79/50/763797950.db2.gz KRJANUIVOGLYCY-OAHLLOKOSA-N 1 1 346.479 0.879 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)CC1 ZINC001052087589 763818014 /nfs/dbraw/zinc/81/80/14/763818014.db2.gz ZNRCNLBFXQPZGY-OAHLLOKOSA-N 1 1 328.416 0.561 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CCF)CC2)C1 ZINC001052088157 763821070 /nfs/dbraw/zinc/82/10/70/763821070.db2.gz HEKKYFMVLKFFNQ-OAGGEKHMSA-N 1 1 325.428 0.766 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001047234299 763823371 /nfs/dbraw/zinc/82/33/71/763823371.db2.gz UCEQAZUPKXISSV-VBQJREDUSA-N 1 1 343.431 0.981 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001047234299 763823377 /nfs/dbraw/zinc/82/33/77/763823377.db2.gz UCEQAZUPKXISSV-VBQJREDUSA-N 1 1 343.431 0.981 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001047234218 763823858 /nfs/dbraw/zinc/82/38/58/763823858.db2.gz PMCMOOPAJYOWMV-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001047234218 763823868 /nfs/dbraw/zinc/82/38/68/763823868.db2.gz PMCMOOPAJYOWMV-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3csc4cncn43)C2)CC1 ZINC001052093371 763837100 /nfs/dbraw/zinc/83/71/00/763837100.db2.gz MDFGFVSIZSBGNI-AWEZNQCLSA-N 1 1 343.456 0.861 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(COC)on3)C2)CC1 ZINC001052094151 763840231 /nfs/dbraw/zinc/84/02/31/763840231.db2.gz YUWLIRHBYKNTMQ-AWEZNQCLSA-N 1 1 334.420 0.839 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(OC)n3)C2)CC1 ZINC001052104926 763874446 /nfs/dbraw/zinc/87/44/46/763874446.db2.gz BLTVDQOBXNOWCZ-OAHLLOKOSA-N 1 1 328.416 0.556 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(OC)nc3)C2)CC1 ZINC001052105325 763875960 /nfs/dbraw/zinc/87/59/60/763875960.db2.gz IOZDIEHXMLFSPB-INIZCTEOSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4cc[nH]c34)C2)CC1 ZINC001052112222 763906910 /nfs/dbraw/zinc/90/69/10/763906910.db2.gz PVFRFDXRACLBFZ-AWEZNQCLSA-N 1 1 326.404 0.128 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3Cc4cccnc4C3)C2)CC1 ZINC001052112774 763907548 /nfs/dbraw/zinc/90/75/48/763907548.db2.gz DAIHLSKDHZTNEJ-ZWKOTPCHSA-N 1 1 338.455 0.648 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCC(N)=O)c1 ZINC001017598390 768173911 /nfs/dbraw/zinc/17/39/11/768173911.db2.gz GKBWMWOBKLQMIP-IYBDPMFKSA-N 1 1 341.411 0.863 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCC(N)=O)c1 ZINC001017598390 768173917 /nfs/dbraw/zinc/17/39/17/768173917.db2.gz GKBWMWOBKLQMIP-IYBDPMFKSA-N 1 1 341.411 0.863 20 30 ECEDMO COc1ccccc1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052117047 763925734 /nfs/dbraw/zinc/92/57/34/763925734.db2.gz DZICQGSAJPBHMI-QGZVFWFLSA-N 1 1 342.443 0.980 20 30 ECEDMO C=C(Cl)CN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117076 763927205 /nfs/dbraw/zinc/92/72/05/763927205.db2.gz FSMOXGQLKRUJRS-CVEARBPZSA-N 1 1 340.899 0.909 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3nccs3)C2)CC1 ZINC001052117951 763930096 /nfs/dbraw/zinc/93/00/96/763930096.db2.gz IMHAYDDIVAVTHW-AWEZNQCLSA-N 1 1 333.461 0.818 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)cc(=O)[nH]c3C)C2)CC1 ZINC001052119010 763935300 /nfs/dbraw/zinc/93/53/00/763935300.db2.gz GRWOKCPBBVOKCA-INIZCTEOSA-N 1 1 342.443 0.869 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCc4nncn4C3)C2)CC1 ZINC001052119377 763936687 /nfs/dbraw/zinc/93/66/87/763936687.db2.gz QCXMNSVMNXEWMR-HOTGVXAUSA-N 1 1 344.463 0.245 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCc4nncn4C3)C2)CC1 ZINC001052119377 763936691 /nfs/dbraw/zinc/93/66/91/763936691.db2.gz QCXMNSVMNXEWMR-HOTGVXAUSA-N 1 1 344.463 0.245 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121854 763943712 /nfs/dbraw/zinc/94/37/12/763943712.db2.gz ITJOAKVURBHIJB-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121854 763943719 /nfs/dbraw/zinc/94/37/19/763943719.db2.gz ITJOAKVURBHIJB-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3COc4ccccc43)C2)CC1 ZINC001052124100 763951146 /nfs/dbraw/zinc/95/11/46/763951146.db2.gz YLTQJJUBFYGRHY-WBVHZDCISA-N 1 1 340.427 0.905 20 30 ECEDMO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047312630 763961612 /nfs/dbraw/zinc/96/16/12/763961612.db2.gz BCCVKQFHQPNTEW-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047312630 763961617 /nfs/dbraw/zinc/96/16/17/763961617.db2.gz BCCVKQFHQPNTEW-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(C(C)C)n[nH]3)C2)C1=O ZINC001031996794 764034068 /nfs/dbraw/zinc/03/40/68/764034068.db2.gz SJBWVFLCAADIEI-MRXNPFEDSA-N 1 1 345.447 0.982 20 30 ECEDMO Cc1cccnc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047337593 764044312 /nfs/dbraw/zinc/04/43/12/764044312.db2.gz GQLIWJFZJJXAFP-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1cccnc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047337593 764044320 /nfs/dbraw/zinc/04/43/20/764044320.db2.gz GQLIWJFZJJXAFP-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)C2CCOCC2)C1 ZINC000991854070 764051107 /nfs/dbraw/zinc/05/11/07/764051107.db2.gz RIVNXXDJZBIOCI-PREGVCBESA-N 1 1 347.459 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)C2CCOCC2)C1 ZINC000991854070 764051119 /nfs/dbraw/zinc/05/11/19/764051119.db2.gz RIVNXXDJZBIOCI-PREGVCBESA-N 1 1 347.459 0.522 20 30 ECEDMO Cc1ncccc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353811 764089883 /nfs/dbraw/zinc/08/98/83/764089883.db2.gz MSVJMWSXZRKTTM-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1ncccc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353811 764089892 /nfs/dbraw/zinc/08/98/92/764089892.db2.gz MSVJMWSXZRKTTM-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccncc2)C1 ZINC000991860583 764093626 /nfs/dbraw/zinc/09/36/26/764093626.db2.gz HSXQJXANGWKTPR-PREGVCBESA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccncc2)C1 ZINC000991860583 764093629 /nfs/dbraw/zinc/09/36/29/764093629.db2.gz HSXQJXANGWKTPR-PREGVCBESA-N 1 1 340.427 0.804 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001047379590 764166767 /nfs/dbraw/zinc/16/67/67/764166767.db2.gz HMNSIEIMWVFBHT-KCXAZCMYSA-N 1 1 336.436 0.702 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001047379590 764166775 /nfs/dbraw/zinc/16/67/75/764166775.db2.gz HMNSIEIMWVFBHT-KCXAZCMYSA-N 1 1 336.436 0.702 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001047379767 764167020 /nfs/dbraw/zinc/16/70/20/764167020.db2.gz MJSKSQVIEHBHTD-XIRDDKMYSA-N 1 1 348.447 0.846 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC001089867640 764171086 /nfs/dbraw/zinc/17/10/86/764171086.db2.gz KETQXINUYHMJKO-ORQFMDKSSA-N 1 1 327.432 0.550 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047386858 764183799 /nfs/dbraw/zinc/18/37/99/764183799.db2.gz AIIWSLSBJQMZIY-ILXRZTDVSA-N 1 1 337.464 0.713 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001047386858 764183806 /nfs/dbraw/zinc/18/38/06/764183806.db2.gz AIIWSLSBJQMZIY-ILXRZTDVSA-N 1 1 337.464 0.713 20 30 ECEDMO CCN(CCNc1nccnc1C#N)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001106975831 764184536 /nfs/dbraw/zinc/18/45/36/764184536.db2.gz HMUCKEFFXJSKRD-DZGCQCFKSA-N 1 1 344.419 0.472 20 30 ECEDMO Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)ccc1C#N ZINC001106059264 764198817 /nfs/dbraw/zinc/19/88/17/764198817.db2.gz FYYRAVGGWZSKQD-CABCVRRESA-N 1 1 331.420 0.635 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2C[NH+]([C@@H](C)C(=O)N(C)C)C2)cc1 ZINC001032031027 764207050 /nfs/dbraw/zinc/20/70/50/764207050.db2.gz OPIUDKRVRLQMAD-AWEZNQCLSA-N 1 1 343.427 0.837 20 30 ECEDMO Cc1cc(NC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(C#N)cn1 ZINC001106059978 764209752 /nfs/dbraw/zinc/20/97/52/764209752.db2.gz MSQDLQNGMJIOQL-ZBFHGGJFSA-N 1 1 331.420 0.057 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cn(C)cn3)CC2)C1=O ZINC001052310305 764227084 /nfs/dbraw/zinc/22/70/84/764227084.db2.gz WXFHZJQLFTVCRO-HOCLYGCPSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 ZINC001047406243 764242890 /nfs/dbraw/zinc/24/28/90/764242890.db2.gz UWHRLXFPRPRCTA-AVGNSLFASA-N 1 1 336.440 0.221 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 ZINC001047406243 764242897 /nfs/dbraw/zinc/24/28/97/764242897.db2.gz UWHRLXFPRPRCTA-AVGNSLFASA-N 1 1 336.440 0.221 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001047408796 764254685 /nfs/dbraw/zinc/25/46/85/764254685.db2.gz CIQSFBVSKWFYIT-BZSNNMDCSA-N 1 1 333.476 0.920 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001047408796 764254696 /nfs/dbraw/zinc/25/46/96/764254696.db2.gz CIQSFBVSKWFYIT-BZSNNMDCSA-N 1 1 333.476 0.920 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn3ccccc23)C1 ZINC001047413049 764266421 /nfs/dbraw/zinc/26/64/21/764266421.db2.gz UKPLAJCNAKWQAH-IRXDYDNUSA-N 1 1 328.416 0.956 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001047413136 764267063 /nfs/dbraw/zinc/26/70/63/764267063.db2.gz XZIGDEZGNYSPHG-IRXDYDNUSA-N 1 1 343.427 0.803 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001047422571 764299439 /nfs/dbraw/zinc/29/94/39/764299439.db2.gz YTDOYRLWCHLBLX-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001047422571 764299444 /nfs/dbraw/zinc/29/94/44/764299444.db2.gz YTDOYRLWCHLBLX-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)C1 ZINC001106070188 764308990 /nfs/dbraw/zinc/30/89/90/764308990.db2.gz LQJKNWZOGQKHMJ-HIFRSBDPSA-N 1 1 346.435 0.359 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001047427613 764312436 /nfs/dbraw/zinc/31/24/36/764312436.db2.gz YTOHVGIKUMPDNL-KBMXLJTQSA-N 1 1 330.432 0.606 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001047427435 764313026 /nfs/dbraw/zinc/31/30/26/764313026.db2.gz QZSIGFHHHGIEJZ-BPUTZDHNSA-N 1 1 330.432 0.606 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001047427435 764313034 /nfs/dbraw/zinc/31/30/34/764313034.db2.gz QZSIGFHHHGIEJZ-BPUTZDHNSA-N 1 1 330.432 0.606 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001047428075 764316626 /nfs/dbraw/zinc/31/66/26/764316626.db2.gz WOJYPPMUSPHRKE-JYJNAYRXSA-N 1 1 332.448 0.834 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001047434336 764334007 /nfs/dbraw/zinc/33/40/07/764334007.db2.gz UCBIWAOZAGNLQH-GJZGRUSLSA-N 1 1 341.415 0.487 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001047434336 764334011 /nfs/dbraw/zinc/33/40/11/764334011.db2.gz UCBIWAOZAGNLQH-GJZGRUSLSA-N 1 1 341.415 0.487 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnc(C)n3c2)C1 ZINC001047436892 764340326 /nfs/dbraw/zinc/34/03/26/764340326.db2.gz IARRCSRPRXQFCQ-GJZGRUSLSA-N 1 1 327.388 0.178 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001047450088 764381500 /nfs/dbraw/zinc/38/15/00/764381500.db2.gz OUFCCZMBJKEVKN-HOTGVXAUSA-N 1 1 334.391 0.904 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001047464570 764422337 /nfs/dbraw/zinc/42/23/37/764422337.db2.gz CFXCBWKYFGGMCO-KBPBESRZSA-N 1 1 327.388 0.407 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001015357538 764430983 /nfs/dbraw/zinc/43/09/83/764430983.db2.gz QIEGUWJLGVORRM-ZACQAIPSSA-N 1 1 337.464 0.633 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001047473540 764444392 /nfs/dbraw/zinc/44/43/92/764444392.db2.gz SULATWKYXZBBCI-KBMXLJTQSA-N 1 1 346.431 0.064 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)(C)O ZINC001099049218 764456076 /nfs/dbraw/zinc/45/60/76/764456076.db2.gz OWITXEOCZZSOAL-CQSZACIVSA-N 1 1 337.464 0.504 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)(C)O ZINC001099049218 764456081 /nfs/dbraw/zinc/45/60/81/764456081.db2.gz OWITXEOCZZSOAL-CQSZACIVSA-N 1 1 337.464 0.504 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3onc(C)c3c2)C1 ZINC001047478327 764460107 /nfs/dbraw/zinc/46/01/07/764460107.db2.gz UNJAODBBFMPJFT-GJZGRUSLSA-N 1 1 328.372 0.672 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3onc(C)c3c2)C1 ZINC001047478493 764461221 /nfs/dbraw/zinc/46/12/21/764461221.db2.gz WOITUNLGJHIWFE-GJZGRUSLSA-N 1 1 328.372 0.672 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3onc(C)c3c2)C1 ZINC001047478493 764461228 /nfs/dbraw/zinc/46/12/28/764461228.db2.gz WOITUNLGJHIWFE-GJZGRUSLSA-N 1 1 328.372 0.672 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001047479189 764464455 /nfs/dbraw/zinc/46/44/55/764464455.db2.gz FAXDWAUHHDMVKF-KBPBESRZSA-N 1 1 346.431 0.754 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001047479189 764464458 /nfs/dbraw/zinc/46/44/58/764464458.db2.gz FAXDWAUHHDMVKF-KBPBESRZSA-N 1 1 346.431 0.754 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001047479490 764466166 /nfs/dbraw/zinc/46/61/66/764466166.db2.gz PDYKHTNFVIZQCC-IRXDYDNUSA-N 1 1 349.475 0.408 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001047479441 764466307 /nfs/dbraw/zinc/46/63/07/764466307.db2.gz MHGSDVPCBNZYEM-HOTGVXAUSA-N 1 1 341.415 0.487 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001047479676 764467510 /nfs/dbraw/zinc/46/75/10/764467510.db2.gz UGFGMGPIXOQVGJ-XIRDDKMYSA-N 1 1 341.411 0.639 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nnnc1C(C)C ZINC001089873362 764477680 /nfs/dbraw/zinc/47/76/80/764477680.db2.gz AVCFCTRQROLLAG-JJXSEGSLSA-N 1 1 342.447 0.599 20 30 ECEDMO CN(C(=O)Cc1cnoc1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047498902 764517689 /nfs/dbraw/zinc/51/76/89/764517689.db2.gz OVQRJHDPPOSLCP-IRXDYDNUSA-N 1 1 340.383 0.792 20 30 ECEDMO CN(C(=O)Cc1cnoc1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047498902 764517695 /nfs/dbraw/zinc/51/76/95/764517695.db2.gz OVQRJHDPPOSLCP-IRXDYDNUSA-N 1 1 340.383 0.792 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001047499465 764518798 /nfs/dbraw/zinc/51/87/98/764518798.db2.gz KUOPRCRYIBQFJJ-IRXDYDNUSA-N 1 1 326.400 0.481 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001047499465 764518805 /nfs/dbraw/zinc/51/88/05/764518805.db2.gz KUOPRCRYIBQFJJ-IRXDYDNUSA-N 1 1 326.400 0.481 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001047501401 764526892 /nfs/dbraw/zinc/52/68/92/764526892.db2.gz PIYPJGFOYIKVBD-JQFCIGGWSA-N 1 1 332.448 0.605 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cncn3)c2)C1 ZINC001047521439 764581152 /nfs/dbraw/zinc/58/11/52/764581152.db2.gz RXLOKYMKWJXQNY-HOTGVXAUSA-N 1 1 325.372 0.018 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cncn3)c2)C1 ZINC001047521439 764581158 /nfs/dbraw/zinc/58/11/58/764581158.db2.gz RXLOKYMKWJXQNY-HOTGVXAUSA-N 1 1 325.372 0.018 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCN2CCOCC2)C1 ZINC001089875559 764609903 /nfs/dbraw/zinc/60/99/03/764609903.db2.gz MVZULCVRFMFPMR-VJANTYMQSA-N 1 1 345.487 0.901 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC1 ZINC001052493588 764615250 /nfs/dbraw/zinc/61/52/50/764615250.db2.gz ZMWPKSLXYUQCNA-OAHLLOKOSA-N 1 1 328.416 0.717 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001047545354 764652093 /nfs/dbraw/zinc/65/20/93/764652093.db2.gz RQPBXQKIPMOJPR-RYUDHWBXSA-N 1 1 344.337 0.579 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001047545354 764652099 /nfs/dbraw/zinc/65/20/99/764652099.db2.gz RQPBXQKIPMOJPR-RYUDHWBXSA-N 1 1 344.337 0.579 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)nn1 ZINC001047554459 764680932 /nfs/dbraw/zinc/68/09/32/764680932.db2.gz WUEMOCDMXWVZCS-BPUTZDHNSA-N 1 1 349.435 0.008 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)nn1 ZINC001047554512 764682405 /nfs/dbraw/zinc/68/24/05/764682405.db2.gz ZSCNGDQTTNDJLF-KBMXLJTQSA-N 1 1 349.435 0.008 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)N(C)C ZINC001099073782 764687288 /nfs/dbraw/zinc/68/72/88/764687288.db2.gz CHSONVBGLXZIFR-LSDHHAIUSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)N(C)C ZINC001099073782 764687295 /nfs/dbraw/zinc/68/72/95/764687295.db2.gz CHSONVBGLXZIFR-LSDHHAIUSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)nn1 ZINC001047557894 764689304 /nfs/dbraw/zinc/68/93/04/764689304.db2.gz PHQQJVSENURMOK-HOTGVXAUSA-N 1 1 333.436 0.771 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)noc2Cl)C1 ZINC001047563706 764700645 /nfs/dbraw/zinc/70/06/45/764700645.db2.gz RUZAJCUUGUKEET-STQMWFEESA-N 1 1 325.796 0.706 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)noc2Cl)C1 ZINC001047563706 764700655 /nfs/dbraw/zinc/70/06/55/764700655.db2.gz RUZAJCUUGUKEET-STQMWFEESA-N 1 1 325.796 0.706 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001047566285 764708872 /nfs/dbraw/zinc/70/88/72/764708872.db2.gz YDEQGWVLJVREAK-HOTGVXAUSA-N 1 1 328.416 0.432 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001047566285 764708880 /nfs/dbraw/zinc/70/88/80/764708880.db2.gz YDEQGWVLJVREAK-HOTGVXAUSA-N 1 1 328.416 0.432 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001047568623 764718571 /nfs/dbraw/zinc/71/85/71/764718571.db2.gz BDLUWDNLMOVPML-LXTVHRRPSA-N 1 1 342.447 0.807 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001047572235 764731753 /nfs/dbraw/zinc/73/17/53/764731753.db2.gz KKMKPJYAGHDLGX-PMPSAXMXSA-N 1 1 329.400 0.551 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C2)CC1 ZINC001107030609 764740687 /nfs/dbraw/zinc/74/06/87/764740687.db2.gz OHNBPDYAPLVKDQ-NVXWUHKLSA-N 1 1 348.491 0.152 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001015483370 764749915 /nfs/dbraw/zinc/74/99/15/764749915.db2.gz WCEIBLBMZYFXEC-CABCVRRESA-N 1 1 325.368 0.277 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001015483370 764749922 /nfs/dbraw/zinc/74/99/22/764749922.db2.gz WCEIBLBMZYFXEC-CABCVRRESA-N 1 1 325.368 0.277 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC001052595531 764821085 /nfs/dbraw/zinc/82/10/85/764821085.db2.gz VXDNSURNUVZGHM-ZDUSSCGKSA-N 1 1 327.388 0.549 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC001052596640 764822976 /nfs/dbraw/zinc/82/29/76/764822976.db2.gz KMHQQNRWXVVUBS-IXDOHACOSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3csnn3)CC2)C1=O ZINC001052598826 764826802 /nfs/dbraw/zinc/82/68/02/764826802.db2.gz ORJUVUCRSHAMFI-JSGCOSHPSA-N 1 1 349.460 0.909 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC001052607783 764841801 /nfs/dbraw/zinc/84/18/01/764841801.db2.gz SMIXYWSVQWBUIY-HNNXBMFYSA-N 1 1 341.415 0.490 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)nc1 ZINC001047602036 764846590 /nfs/dbraw/zinc/84/65/90/764846590.db2.gz WGLBSZSXNZNJLZ-IRXDYDNUSA-N 1 1 339.399 0.077 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)nc1 ZINC001047602036 764846599 /nfs/dbraw/zinc/84/65/99/764846599.db2.gz WGLBSZSXNZNJLZ-IRXDYDNUSA-N 1 1 339.399 0.077 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnn(C)c3c2)C1 ZINC001047609754 764870919 /nfs/dbraw/zinc/87/09/19/764870919.db2.gz KUZZPRRKHHGNSZ-HOTGVXAUSA-N 1 1 329.404 0.662 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001047614229 764884661 /nfs/dbraw/zinc/88/46/61/764884661.db2.gz FCXASANNDDZPJK-JQFCIGGWSA-N 1 1 330.432 0.606 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001047614229 764884667 /nfs/dbraw/zinc/88/46/67/764884667.db2.gz FCXASANNDDZPJK-JQFCIGGWSA-N 1 1 330.432 0.606 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001047614227 764884735 /nfs/dbraw/zinc/88/47/35/764884735.db2.gz FCXASANNDDZPJK-COXVUDFISA-N 1 1 330.432 0.606 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001047614227 764884741 /nfs/dbraw/zinc/88/47/41/764884741.db2.gz FCXASANNDDZPJK-COXVUDFISA-N 1 1 330.432 0.606 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001047623969 764910985 /nfs/dbraw/zinc/91/09/85/764910985.db2.gz YWPJLAAXHCKCDK-GJZGRUSLSA-N 1 1 334.420 0.347 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCCC)n2)C1 ZINC001047623969 764910990 /nfs/dbraw/zinc/91/09/90/764910990.db2.gz YWPJLAAXHCKCDK-GJZGRUSLSA-N 1 1 334.420 0.347 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001047628612 764929731 /nfs/dbraw/zinc/92/97/31/764929731.db2.gz IABHGVXCPYFNKF-GJZGRUSLSA-N 1 1 329.404 0.960 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)CC2)s1 ZINC001052672467 764975134 /nfs/dbraw/zinc/97/51/34/764975134.db2.gz WETXDRVCYYGTAF-SMDDNHRTSA-N 1 1 347.444 0.772 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@@H]12 ZINC000991976736 765030338 /nfs/dbraw/zinc/03/03/38/765030338.db2.gz RPPWNDZABDWWSE-JJRVBVJISA-N 1 1 329.404 0.665 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@@H]12 ZINC000991976737 765030686 /nfs/dbraw/zinc/03/06/86/765030686.db2.gz RPPWNDZABDWWSE-VBQJREDUSA-N 1 1 329.404 0.665 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001052722653 765043676 /nfs/dbraw/zinc/04/36/76/765043676.db2.gz NDPDNPKQDSSFEO-OAGGEKHMSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC001052723960 765044394 /nfs/dbraw/zinc/04/43/94/765044394.db2.gz VYOCFCRBLCVWNE-BMFZPTHFSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2C)CC1 ZINC001052723960 765044402 /nfs/dbraw/zinc/04/44/02/765044402.db2.gz VYOCFCRBLCVWNE-BMFZPTHFSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)nn1 ZINC001052774761 765097042 /nfs/dbraw/zinc/09/70/42/765097042.db2.gz IOLWRQCWLAXXIK-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)CC2)nn1 ZINC001052775260 765098046 /nfs/dbraw/zinc/09/80/46/765098046.db2.gz RUROSBIJOIEDGS-CYBMUJFWSA-N 1 1 344.423 0.377 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)CC2)nn1 ZINC001052775260 765098056 /nfs/dbraw/zinc/09/80/56/765098056.db2.gz RUROSBIJOIEDGS-CYBMUJFWSA-N 1 1 344.423 0.377 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H](CC)C(N)=O)CC2)nn1 ZINC001052778383 765105310 /nfs/dbraw/zinc/10/53/10/765105310.db2.gz JNZUSUQQVDPOQE-DZGCQCFKSA-N 1 1 348.451 0.702 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CNC(=O)N1 ZINC001015635205 765109329 /nfs/dbraw/zinc/10/93/29/765109329.db2.gz QKMAIDGYUVGWST-HUUCEWRRSA-N 1 1 346.818 0.563 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CNC(=O)N1 ZINC001015635205 765109334 /nfs/dbraw/zinc/10/93/34/765109334.db2.gz QKMAIDGYUVGWST-HUUCEWRRSA-N 1 1 346.818 0.563 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001015678392 765150323 /nfs/dbraw/zinc/15/03/23/765150323.db2.gz GRQWEZXSWOLBTD-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)c1 ZINC001015678392 765150327 /nfs/dbraw/zinc/15/03/27/765150327.db2.gz GRQWEZXSWOLBTD-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CCNC1=O ZINC001015694733 765174647 /nfs/dbraw/zinc/17/46/47/765174647.db2.gz BULMPRTXZIYGKF-ZBEGNZNMSA-N 1 1 332.429 0.836 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CCNC1=O ZINC001015694733 765174654 /nfs/dbraw/zinc/17/46/54/765174654.db2.gz BULMPRTXZIYGKF-ZBEGNZNMSA-N 1 1 332.429 0.836 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001052864487 765249216 /nfs/dbraw/zinc/24/92/16/765249216.db2.gz HIMWZXKIFHRPJA-GFCCVEGCSA-N 1 1 330.392 0.578 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)CC2)nc1 ZINC001052873507 765272616 /nfs/dbraw/zinc/27/26/16/765272616.db2.gz DUCXKIDGBKINGX-INIZCTEOSA-N 1 1 338.415 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)CC1 ZINC001052911435 765331626 /nfs/dbraw/zinc/33/16/26/765331626.db2.gz HMGUUDPOYPDBQU-CQSZACIVSA-N 1 1 326.404 0.959 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cncc(OC)n3)C2)C1=O ZINC001015795358 765333924 /nfs/dbraw/zinc/33/39/24/765333924.db2.gz VBYUOPRQWTVYJW-TZMCWYRMSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cncc(OC)n3)C2)C1=O ZINC001015795358 765333926 /nfs/dbraw/zinc/33/39/26/765333926.db2.gz VBYUOPRQWTVYJW-TZMCWYRMSA-N 1 1 345.403 0.076 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC001052914349 765334964 /nfs/dbraw/zinc/33/49/64/765334964.db2.gz QQHRSUCGRGKUDS-ZDUSSCGKSA-N 1 1 336.436 0.864 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001052917574 765341223 /nfs/dbraw/zinc/34/12/23/765341223.db2.gz VGVIULOXVGRHPY-MGPQQGTHSA-N 1 1 328.420 0.488 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(CC=C)C3=O)C2)nn1 ZINC001015810352 765368319 /nfs/dbraw/zinc/36/83/19/765368319.db2.gz GYLFGKZYVDENAI-HIFRSBDPSA-N 1 1 344.419 0.055 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(CC=C)C3=O)C2)nn1 ZINC001015810352 765368325 /nfs/dbraw/zinc/36/83/25/765368325.db2.gz GYLFGKZYVDENAI-HIFRSBDPSA-N 1 1 344.419 0.055 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001052946554 765401219 /nfs/dbraw/zinc/40/12/19/765401219.db2.gz VODKWTKOROQMSS-NEPJUHHUSA-N 1 1 335.857 0.401 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 ZINC001052957218 765411257 /nfs/dbraw/zinc/41/12/57/765411257.db2.gz CWLAVJNOIAAQIJ-ZDUSSCGKSA-N 1 1 334.424 0.137 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC001053006591 765480921 /nfs/dbraw/zinc/48/09/21/765480921.db2.gz VQHRFGKORJPJFB-CVEARBPZSA-N 1 1 330.436 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001053011443 765484242 /nfs/dbraw/zinc/48/42/42/765484242.db2.gz HBYBWUNNIQQCPS-GJZGRUSLSA-N 1 1 331.420 0.568 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC001053028489 765501274 /nfs/dbraw/zinc/50/12/74/765501274.db2.gz VQGPSXQPBMIPIT-JKSUJKDBSA-N 1 1 330.436 0.647 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001053035514 765509648 /nfs/dbraw/zinc/50/96/48/765509648.db2.gz CSLDAEVVHXAFOD-CABCVRRESA-N 1 1 330.436 0.798 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2ncnn2)C1 ZINC001053087465 765562468 /nfs/dbraw/zinc/56/24/68/765562468.db2.gz UAVORLAZIBPNDX-HZPDHXFCSA-N 1 1 330.436 0.790 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C)C(=O)N3)CCC[C@@H]12 ZINC000992125793 765576632 /nfs/dbraw/zinc/57/66/32/765576632.db2.gz DOMHEESMYYUASL-YWPYICTPSA-N 1 1 326.828 0.876 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C)C(=O)N3)CCC[C@@H]12 ZINC000992125793 765576636 /nfs/dbraw/zinc/57/66/36/765576636.db2.gz DOMHEESMYYUASL-YWPYICTPSA-N 1 1 326.828 0.876 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNc2cccc(F)c2C#N)C1 ZINC001106103956 765747097 /nfs/dbraw/zinc/74/70/97/765747097.db2.gz FFJIHEZZEGGOKQ-CHWSQXEVSA-N 1 1 334.395 0.928 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H]2CCNC2=O)CC3)c1 ZINC000992173376 765765720 /nfs/dbraw/zinc/76/57/20/765765720.db2.gz FTJBDDBESHLBOS-FCEWJHQRSA-N 1 1 338.411 0.678 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 ZINC000992175973 765774790 /nfs/dbraw/zinc/77/47/90/765774790.db2.gz VNMOUYJTJWFPJP-VPWBDBDCSA-N 1 1 341.839 0.885 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 ZINC000992175973 765774791 /nfs/dbraw/zinc/77/47/91/765774791.db2.gz VNMOUYJTJWFPJP-VPWBDBDCSA-N 1 1 341.839 0.885 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CCC[C@@H]12 ZINC000992178181 765778013 /nfs/dbraw/zinc/77/80/13/765778013.db2.gz ZFIFUUJFOIOJEE-OLMMMNRUSA-N 1 1 347.459 0.759 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@@H](C)C(=O)NC)CC3)c1 ZINC000992182874 765797542 /nfs/dbraw/zinc/79/75/42/765797542.db2.gz YRAGJBBTXVMJHX-CRFBAAHOSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001017719154 768321874 /nfs/dbraw/zinc/32/18/74/768321874.db2.gz QDEWTPMUIXUCSG-GASCZTMLSA-N 1 1 344.415 0.202 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)CCO2 ZINC001053259274 765858547 /nfs/dbraw/zinc/85/85/47/765858547.db2.gz NEMUJYZOOIANLU-HUUCEWRRSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc(C)on2)C1 ZINC001016220368 765929827 /nfs/dbraw/zinc/92/98/27/765929827.db2.gz WPRZNPHSNCKHDK-XUJLQICISA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc(C)on2)C1 ZINC001016220368 765929831 /nfs/dbraw/zinc/92/98/31/765929831.db2.gz WPRZNPHSNCKHDK-XUJLQICISA-N 1 1 344.415 0.800 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000992218613 765947843 /nfs/dbraw/zinc/94/78/43/765947843.db2.gz ZONZNTZEEDSYRH-LDZOIKDWSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2CCN(CC(F)F)CC2)[C@@H](O)C1 ZINC001083729874 768343595 /nfs/dbraw/zinc/34/35/95/768343595.db2.gz GXQQHNHJEDJYAG-KGLIPLIRSA-N 1 1 331.407 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cn2cccn2)C1 ZINC001016251616 765978316 /nfs/dbraw/zinc/97/83/16/765978316.db2.gz AHJSWMSZMMXBIX-GPANFISMSA-N 1 1 343.431 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cn2cccn2)C1 ZINC001016251616 765978321 /nfs/dbraw/zinc/97/83/21/765978321.db2.gz AHJSWMSZMMXBIX-GPANFISMSA-N 1 1 343.431 0.086 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCC(=O)N1C)CCO2 ZINC001053370009 766045369 /nfs/dbraw/zinc/04/53/69/766045369.db2.gz QXQGEFQITCABJW-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(CC#Cc3ccccc3)C2)C1 ZINC001016307724 766087435 /nfs/dbraw/zinc/08/74/35/766087435.db2.gz VZXNYILDGCRGTC-RTBURBONSA-N 1 1 341.455 0.949 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(CC#Cc3ccccc3)C2)C1 ZINC001016307724 766087441 /nfs/dbraw/zinc/08/74/41/766087441.db2.gz VZXNYILDGCRGTC-RTBURBONSA-N 1 1 341.455 0.949 20 30 ECEDMO C=CCn1cc(C(=O)NC2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001016330863 766129819 /nfs/dbraw/zinc/12/98/19/766129819.db2.gz RZCQFCKIQVKCKJ-SSDMNJCBSA-N 1 1 346.435 0.278 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CCn3cccn3)C2)CC1 ZINC001016331128 766130615 /nfs/dbraw/zinc/13/06/15/766130615.db2.gz XDVJNGNVMQOLJS-KRWDZBQOSA-N 1 1 329.448 0.419 20 30 ECEDMO COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@H]1C ZINC001106477553 768354962 /nfs/dbraw/zinc/35/49/62/768354962.db2.gz NFGXDRWFCDPPOH-HZPDHXFCSA-N 1 1 347.463 0.851 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(CC)n(C)n3)C2)C1=O ZINC001016416613 766259281 /nfs/dbraw/zinc/25/92/81/766259281.db2.gz OIUNZHJVKGFWCD-CZUORRHYSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(CC)n(C)n3)C2)C1=O ZINC001016416613 766259284 /nfs/dbraw/zinc/25/92/84/766259284.db2.gz OIUNZHJVKGFWCD-CZUORRHYSA-N 1 1 345.447 0.574 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)[C@@H](O)C1 ZINC001083689050 766269294 /nfs/dbraw/zinc/26/92/94/766269294.db2.gz ZJFYJXQQAXQXMJ-CVEARBPZSA-N 1 1 335.448 0.066 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)[C@@H](O)C1 ZINC001083689050 766269296 /nfs/dbraw/zinc/26/92/96/766269296.db2.gz ZJFYJXQQAXQXMJ-CVEARBPZSA-N 1 1 335.448 0.066 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@]3(NC(=O)c4cnon4)CCC[C@@H]23)C1=O ZINC000992344813 766330006 /nfs/dbraw/zinc/33/00/06/766330006.db2.gz JFDSSWUMWBWDMM-JJRVBVJISA-N 1 1 345.403 0.583 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001045772967 766350591 /nfs/dbraw/zinc/35/05/91/766350591.db2.gz SXBGPJXSBDXYMI-UHFFFAOYSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@@H]12 ZINC000992353876 766357586 /nfs/dbraw/zinc/35/75/86/766357586.db2.gz SVCNTCCLAPYTMT-VQIMIIECSA-N 1 1 342.443 0.997 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001045782535 766364194 /nfs/dbraw/zinc/36/41/94/766364194.db2.gz HIQGFZHDXOCXKW-YOEHRIQHSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn3c(n1)CCC3)O2 ZINC001053602581 766412236 /nfs/dbraw/zinc/41/22/36/766412236.db2.gz JTYNMODWJBQKPB-CQSZACIVSA-N 1 1 328.416 0.816 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)O2 ZINC001053617930 766443816 /nfs/dbraw/zinc/44/38/16/766443816.db2.gz KJDYMDTUZDBFSU-BZUAXINKSA-N 1 1 335.448 0.078 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)O2 ZINC001053617930 766443818 /nfs/dbraw/zinc/44/38/18/766443818.db2.gz KJDYMDTUZDBFSU-BZUAXINKSA-N 1 1 335.448 0.078 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@H]12 ZINC000992392507 766464521 /nfs/dbraw/zinc/46/45/21/766464521.db2.gz BGCYBCLXQSPBKS-SUMWQHHRSA-N 1 1 334.420 0.570 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC[C@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001045925925 766498976 /nfs/dbraw/zinc/49/89/76/766498976.db2.gz XPIXUTGZGQIWDQ-CRAIPNDOSA-N 1 1 347.463 0.876 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2 ZINC001045948023 766518041 /nfs/dbraw/zinc/51/80/41/766518041.db2.gz SQWBVEXHOBUKAS-GDBMZVCRSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)S(C)(=O)=O)C2 ZINC001045948023 766518047 /nfs/dbraw/zinc/51/80/47/766518047.db2.gz SQWBVEXHOBUKAS-GDBMZVCRSA-N 1 1 326.462 0.757 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CCC3(CN(CC#N)C3)O1)C2 ZINC001053658057 766527913 /nfs/dbraw/zinc/52/79/13/766527913.db2.gz PTMCMDYKWWPVQA-GDBMZVCRSA-N 1 1 343.431 0.627 20 30 ECEDMO COCCOCC[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212254288 766530991 /nfs/dbraw/zinc/53/09/91/766530991.db2.gz SDHVIKOPPHOQMP-HUUCEWRRSA-N 1 1 326.437 0.514 20 30 ECEDMO COCCOCC[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212254288 766530995 /nfs/dbraw/zinc/53/09/95/766530995.db2.gz SDHVIKOPPHOQMP-HUUCEWRRSA-N 1 1 326.437 0.514 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001045984767 766556260 /nfs/dbraw/zinc/55/62/60/766556260.db2.gz IGUJZEGULJRRKJ-DOTOQJQBSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001045984767 766556263 /nfs/dbraw/zinc/55/62/63/766556263.db2.gz IGUJZEGULJRRKJ-DOTOQJQBSA-N 1 1 338.473 0.901 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001045988704 766563639 /nfs/dbraw/zinc/56/36/39/766563639.db2.gz UMIJTAVYHWUEFT-RDTXWAMCSA-N 1 1 333.432 0.930 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@@H]12 ZINC000992436768 766566108 /nfs/dbraw/zinc/56/61/08/766566108.db2.gz XGBKKGIBQVFJFM-CXAGYDPISA-N 1 1 342.403 0.721 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(=O)n(CC)n1)O2 ZINC001053681569 766573957 /nfs/dbraw/zinc/57/39/57/766573957.db2.gz NEBZVIYETRFQPC-CQSZACIVSA-N 1 1 344.415 0.250 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](N3CCN(C(=O)CCC)CC3)C2)C1=O ZINC001045994621 766582884 /nfs/dbraw/zinc/58/28/84/766582884.db2.gz DSTDWIUTBAXGOQ-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12 ZINC000992445408 766583532 /nfs/dbraw/zinc/58/35/32/766583532.db2.gz ADKJIYRJBYKQKG-RHSMWYFYSA-N 1 1 333.436 0.580 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCCN(C)C1=O)O2 ZINC001053686222 766587750 /nfs/dbraw/zinc/58/77/50/766587750.db2.gz KBHSXWDQHFEZGI-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccn(C)c1=O)O2 ZINC001053686556 766588165 /nfs/dbraw/zinc/58/81/65/766588165.db2.gz SLWVZIYZAKAHPF-AWEZNQCLSA-N 1 1 329.400 0.372 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC3(C[NH+](CCCO)C3)O2)cn1 ZINC001053690322 766596565 /nfs/dbraw/zinc/59/65/65/766596565.db2.gz HMZALMKANQVYIM-INIZCTEOSA-N 1 1 329.400 0.409 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12 ZINC000992453679 766612929 /nfs/dbraw/zinc/61/29/29/766612929.db2.gz HSDURHGOPJPZRG-PBHICJAKSA-N 1 1 331.420 0.027 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)n3cccn3)CC2)C1 ZINC001046006824 766616387 /nfs/dbraw/zinc/61/63/87/766616387.db2.gz VJKTXVMEXRJYAI-IRXDYDNUSA-N 1 1 329.448 0.686 20 30 ECEDMO C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)O2 ZINC001053700413 766620127 /nfs/dbraw/zinc/62/01/27/766620127.db2.gz UHCAPACFQUUKMS-HOTGVXAUSA-N 1 1 337.464 0.633 20 30 ECEDMO C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700413 766620129 /nfs/dbraw/zinc/62/01/29/766620129.db2.gz UHCAPACFQUUKMS-HOTGVXAUSA-N 1 1 337.464 0.633 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12 ZINC000992463575 766634982 /nfs/dbraw/zinc/63/49/82/766634982.db2.gz JXPYPPDHXNOBLJ-DYVFJYSZSA-N 1 1 332.404 0.017 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnn(C)c3)CC2)C1 ZINC001046011632 766636755 /nfs/dbraw/zinc/63/67/55/766636755.db2.gz GELPRMSLTFIIEH-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](CCc3cnn(C)c3)C2)CC1 ZINC001046012123 766637918 /nfs/dbraw/zinc/63/79/18/766637918.db2.gz LTXOBQDOCAZHDH-WBVHZDCISA-N 1 1 344.463 0.341 20 30 ECEDMO Cc1nocc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046013250 766642793 /nfs/dbraw/zinc/64/27/93/766642793.db2.gz VIYWXHYGUSGGJK-XJKSGUPXSA-N 1 1 331.420 0.861 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 ZINC001046019829 766660687 /nfs/dbraw/zinc/66/06/87/766660687.db2.gz LAUSAOWPZZRDEC-SJORKVTESA-N 1 1 336.480 0.112 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)[nH]1 ZINC001046020677 766663274 /nfs/dbraw/zinc/66/32/74/766663274.db2.gz WNGZKWUTGBTNMX-HNNXBMFYSA-N 1 1 331.420 0.101 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 ZINC001046020729 766663623 /nfs/dbraw/zinc/66/36/23/766663623.db2.gz XFLLDNBJPWYHTQ-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001046020908 766664966 /nfs/dbraw/zinc/66/49/66/766664966.db2.gz YSTCXYQYAUSQNZ-OAHLLOKOSA-N 1 1 331.420 0.365 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnnn3CC)CC2)C1 ZINC001046028416 766691564 /nfs/dbraw/zinc/69/15/64/766691564.db2.gz BNFVVTTXGFBRFX-OAHLLOKOSA-N 1 1 330.436 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C)CCOCC2)C1 ZINC000994749716 766692224 /nfs/dbraw/zinc/69/22/24/766692224.db2.gz CYEPDJUHYWQIHS-HNNXBMFYSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C)CCOCC2)C1 ZINC000994749716 766692228 /nfs/dbraw/zinc/69/22/28/766692228.db2.gz CYEPDJUHYWQIHS-HNNXBMFYSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@@H]12 ZINC000992487605 766695000 /nfs/dbraw/zinc/69/50/00/766695000.db2.gz DNTJKEAVCAYAGR-DYVFJYSZSA-N 1 1 330.388 0.236 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(c4ccccn4)CC3)CC2)C1 ZINC001046029918 766695237 /nfs/dbraw/zinc/69/52/37/766695237.db2.gz FTWOHYXZIIAOOC-QGZVFWFLSA-N 1 1 338.455 0.965 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CCC(OC)CC2)C1 ZINC000994751009 766695535 /nfs/dbraw/zinc/69/55/35/766695535.db2.gz KXVJWZVZSUBMAM-PREGVCBESA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CCC(OC)CC2)C1 ZINC000994751009 766695540 /nfs/dbraw/zinc/69/55/40/766695540.db2.gz KXVJWZVZSUBMAM-PREGVCBESA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccncn2)C1 ZINC001016670952 766700034 /nfs/dbraw/zinc/70/00/34/766700034.db2.gz XJCSVLUTCNOWNQ-XUJLQICISA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccncn2)C1 ZINC001016670952 766700037 /nfs/dbraw/zinc/70/00/37/766700037.db2.gz XJCSVLUTCNOWNQ-XUJLQICISA-N 1 1 341.415 0.293 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@H]12 ZINC000992489844 766700425 /nfs/dbraw/zinc/70/04/25/766700425.db2.gz CWXQHQGMZPHQHP-VNHYZAJKSA-N 1 1 327.450 0.367 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC000994752652 766703274 /nfs/dbraw/zinc/70/32/74/766703274.db2.gz UKIUBVWCZXCUCB-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC000994752652 766703285 /nfs/dbraw/zinc/70/32/85/766703285.db2.gz UKIUBVWCZXCUCB-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3ccccc3=O)CC2)C1 ZINC001046033180 766708886 /nfs/dbraw/zinc/70/88/86/766708886.db2.gz ABKKZSHMIKTAAP-QGZVFWFLSA-N 1 1 344.459 0.643 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnn3C(C)C)CC2)C1 ZINC001046033507 766710144 /nfs/dbraw/zinc/71/01/44/766710144.db2.gz XBDCYNCSPRQDDR-MRXNPFEDSA-N 1 1 329.448 0.929 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC001046033777 766712031 /nfs/dbraw/zinc/71/20/31/766712031.db2.gz KTNHJBHJTHODAA-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn4c3CCC4)CC2)C1 ZINC001046035540 766721647 /nfs/dbraw/zinc/72/16/47/766721647.db2.gz ONGLPQCGUIOXKQ-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4n3CCC4)CC2)C1 ZINC001046036211 766726034 /nfs/dbraw/zinc/72/60/34/766726034.db2.gz CUYOOSQAVYERMO-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CCCOC2)C1 ZINC000994756371 766726913 /nfs/dbraw/zinc/72/69/13/766726913.db2.gz WWOYFHWVGKVUOW-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CCCOC2)C1 ZINC000994756371 766726923 /nfs/dbraw/zinc/72/69/23/766726923.db2.gz WWOYFHWVGKVUOW-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1 ZINC001046037056 766731083 /nfs/dbraw/zinc/73/10/83/766731083.db2.gz KHJWUDDBQBBSGC-HNNXBMFYSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000994756883 766731352 /nfs/dbraw/zinc/73/13/52/766731352.db2.gz ZBAWWLBABKTVRC-SIXWZSSISA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000994756883 766731358 /nfs/dbraw/zinc/73/13/58/766731358.db2.gz ZBAWWLBABKTVRC-SIXWZSSISA-N 1 1 329.444 0.991 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC001046038858 766740429 /nfs/dbraw/zinc/74/04/29/766740429.db2.gz LDNFZGQNQWGGPA-KRWDZBQOSA-N 1 1 344.459 0.794 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)C1 ZINC001046039019 766740672 /nfs/dbraw/zinc/74/06/72/766740672.db2.gz MKQMAXSSNMNYNP-IAGOWNOFSA-N 1 1 343.475 0.850 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc4n[nH]cc4c3)CC2)C1 ZINC001046038992 766741502 /nfs/dbraw/zinc/74/15/02/766741502.db2.gz LYXZCLHYSGLINO-INIZCTEOSA-N 1 1 338.415 0.423 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCCN3C)CC2)C1 ZINC001046041979 766753908 /nfs/dbraw/zinc/75/39/08/766753908.db2.gz VWZFJESPGWMVKQ-QZTJIDSGSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCCN3C)CC2)C1 ZINC001046041979 766753912 /nfs/dbraw/zinc/75/39/12/766753912.db2.gz VWZFJESPGWMVKQ-QZTJIDSGSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(CN(C)C)on3)CC2)C1 ZINC001046042414 766754798 /nfs/dbraw/zinc/75/47/98/766754798.db2.gz ZLOZNLMZVJRRBD-HNNXBMFYSA-N 1 1 345.447 0.202 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(OC)nc3)CC2)C1 ZINC001046043811 766763556 /nfs/dbraw/zinc/76/35/56/766763556.db2.gz DSRDUYYSMGGXLK-KRWDZBQOSA-N 1 1 342.443 0.946 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc(Cl)n3C)CC2)C1 ZINC001046043915 766764333 /nfs/dbraw/zinc/76/43/33/766764333.db2.gz MXIDPXWTNBFKKN-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc(OC)n3)CC2)C1 ZINC001046045552 766771860 /nfs/dbraw/zinc/77/18/60/766771860.db2.gz ZNKFAMVETDJVFS-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001046046444 766774805 /nfs/dbraw/zinc/77/48/05/766774805.db2.gz DHLDEAZDYOKJBI-SJORKVTESA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001046046992 766776467 /nfs/dbraw/zinc/77/64/67/766776467.db2.gz KNTJHTVYQUJVRL-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046048824 766781513 /nfs/dbraw/zinc/78/15/13/766781513.db2.gz DVDUGWNAMPJWCB-HZPDHXFCSA-N 1 1 348.491 0.696 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001046049079 766782278 /nfs/dbraw/zinc/78/22/78/766782278.db2.gz IPGZGSVMWCZPHL-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001046049913 766784770 /nfs/dbraw/zinc/78/47/70/766784770.db2.gz ZZVDWVMVLFUOHC-HZPDHXFCSA-N 1 1 348.491 0.648 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC001046050056 766785909 /nfs/dbraw/zinc/78/59/09/766785909.db2.gz CZBQWXPISOSLQR-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046049979 766786071 /nfs/dbraw/zinc/78/60/71/766786071.db2.gz BJNXIGBXVUKLRC-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@@H]3CC[N@H+]([C@H](C)C(N)=O)C3)CC2)C1 ZINC001046059402 766822333 /nfs/dbraw/zinc/82/23/33/766822333.db2.gz GMLSDGNXJDIWLL-HUUCEWRRSA-N 1 1 334.464 0.435 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@H]3CC[N@H+]([C@@H](C)C(=O)NC)C3)CC2)C1 ZINC001046059445 766823216 /nfs/dbraw/zinc/82/32/16/766823216.db2.gz HGLHIUOXSRKLIP-HOTGVXAUSA-N 1 1 348.491 0.696 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCN([C@H]3CC[N@H+]([C@H]4CCNC4=O)C3)CC2)C1 ZINC001046060117 766825045 /nfs/dbraw/zinc/82/50/45/766825045.db2.gz VNLGCVTXGBAUCK-HOTGVXAUSA-N 1 1 346.475 0.450 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc(OCC)c3)CC2)C1 ZINC001046060473 766826131 /nfs/dbraw/zinc/82/61/31/766826131.db2.gz AJKRBBLYRCPFEC-QGZVFWFLSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 ZINC001046061347 766829248 /nfs/dbraw/zinc/82/92/48/766829248.db2.gz MISMXWSXROCXDO-YJBOKZPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCF)C2)CC1 ZINC001046062695 766836594 /nfs/dbraw/zinc/83/65/94/766836594.db2.gz IHYYZOZAXBWICX-XHSDSOJGSA-N 1 1 325.428 0.766 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3cncs3)CC2)C1 ZINC001046064042 766841527 /nfs/dbraw/zinc/84/15/27/766841527.db2.gz CZGGZOZCYWUNEE-HNNXBMFYSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(OC2CN(C(C)=O)C2)CC1 ZINC000994801777 766847212 /nfs/dbraw/zinc/84/72/12/766847212.db2.gz OQPZKRBAWIQAOU-KRWDZBQOSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(OC2CN(C(C)=O)C2)CC1 ZINC000994801777 766847219 /nfs/dbraw/zinc/84/72/19/766847219.db2.gz OQPZKRBAWIQAOU-KRWDZBQOSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cn(C)nc3Cl)CC2)C1 ZINC001046064709 766847377 /nfs/dbraw/zinc/84/73/77/766847377.db2.gz SADFWHMCEZKDIQ-HNNXBMFYSA-N 1 1 349.866 0.468 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046068505 766862445 /nfs/dbraw/zinc/86/24/45/766862445.db2.gz MTCSUBUSODSIIQ-DOTOQJQBSA-N 1 1 329.448 0.440 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068505 766862455 /nfs/dbraw/zinc/86/24/55/766862455.db2.gz MTCSUBUSODSIIQ-DOTOQJQBSA-N 1 1 329.448 0.440 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068505 766862466 /nfs/dbraw/zinc/86/24/66/766862466.db2.gz MTCSUBUSODSIIQ-DOTOQJQBSA-N 1 1 329.448 0.440 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@H]3CC[N@@H+](CC=C)C3)CC2)nn1 ZINC001046068965 766865957 /nfs/dbraw/zinc/86/59/57/766865957.db2.gz YIRYQURXERJNKQ-HNNXBMFYSA-N 1 1 330.436 0.482 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001042007911 782591212 /nfs/dbraw/zinc/59/12/12/782591212.db2.gz YESJVFVBTZDVST-NEPJUHHUSA-N 1 1 325.800 0.659 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001042007911 782591221 /nfs/dbraw/zinc/59/12/21/782591221.db2.gz YESJVFVBTZDVST-NEPJUHHUSA-N 1 1 325.800 0.659 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC001046074434 766888998 /nfs/dbraw/zinc/88/89/98/766888998.db2.gz ATJACGAUEZGCAD-KRWDZBQOSA-N 1 1 329.448 0.814 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(CCC)nn3)CC2)C1 ZINC001046074625 766892404 /nfs/dbraw/zinc/89/24/04/766892404.db2.gz CKEBELGHUAMXCW-INIZCTEOSA-N 1 1 344.463 0.544 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3coc(COC)n3)CC2)C1 ZINC001046075066 766893910 /nfs/dbraw/zinc/89/39/10/766893910.db2.gz NYRKINAFOGPBRS-HNNXBMFYSA-N 1 1 346.431 0.676 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn(CC4CC4)nn3)CC2)C1 ZINC001046075215 766895469 /nfs/dbraw/zinc/89/54/69/766895469.db2.gz PPOIEBHGDCYUIQ-INIZCTEOSA-N 1 1 344.463 0.706 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c(OC)cc[nH]c3=O)CC2)C1 ZINC001046075729 766899843 /nfs/dbraw/zinc/89/98/43/766899843.db2.gz CURZTYDMCIVHBK-AWEZNQCLSA-N 1 1 346.431 0.814 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC001046076258 766902924 /nfs/dbraw/zinc/90/29/24/766902924.db2.gz DITFGLVYLRKXOC-IEBWSBKVSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3conc3COC)CC2)C1 ZINC001046076518 766903443 /nfs/dbraw/zinc/90/34/43/766903443.db2.gz GPYKUAWDZJBJGZ-CQSZACIVSA-N 1 1 334.420 0.839 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3[nH]cnc3CC)CC2)C1 ZINC001046080204 766915767 /nfs/dbraw/zinc/91/57/67/766915767.db2.gz BYKVIFKJYYLHLS-OAHLLOKOSA-N 1 1 329.448 0.828 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046081808 766920243 /nfs/dbraw/zinc/92/02/43/766920243.db2.gz OYZGBNWSSZRCMP-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC001046082392 766921554 /nfs/dbraw/zinc/92/15/54/766921554.db2.gz WHZNWMCZZDIMQQ-HNNXBMFYSA-N 1 1 347.463 0.837 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC001046082604 766921928 /nfs/dbraw/zinc/92/19/28/766921928.db2.gz YBCFRUAIPYXLGW-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC001046083263 766922855 /nfs/dbraw/zinc/92/28/55/766922855.db2.gz OKKVWJHLQOSJCE-OAHLLOKOSA-N 1 1 345.447 0.189 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncnc3CC)CC2)C1 ZINC001046083851 766923388 /nfs/dbraw/zinc/92/33/88/766923388.db2.gz CDFPNWGSNJOSDB-INIZCTEOSA-N 1 1 341.459 0.894 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC001046086894 766929386 /nfs/dbraw/zinc/92/93/86/766929386.db2.gz QVVSPTKNNIUCKT-NVXWUHKLSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC001046086898 766929597 /nfs/dbraw/zinc/92/95/97/766929597.db2.gz QVVSPTKNNIUCKT-WBVHZDCISA-N 1 1 341.459 0.366 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC001046090277 766932287 /nfs/dbraw/zinc/93/22/87/766932287.db2.gz RPDVKSPASFHRBD-MRXNPFEDSA-N 1 1 344.463 0.462 20 30 ECEDMO C=CCC1(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CCC1 ZINC001046119971 766948916 /nfs/dbraw/zinc/94/89/16/766948916.db2.gz ONOQOVXKXURPMW-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)CO2 ZINC001053827203 766955061 /nfs/dbraw/zinc/95/50/61/766955061.db2.gz TXIWRIKYBGAQPX-GJZGRUSLSA-N 1 1 328.416 0.743 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2cnccn2)C1 ZINC001031740585 766985729 /nfs/dbraw/zinc/98/57/29/766985729.db2.gz FQCMTVCIFQDZJO-PBHICJAKSA-N 1 1 327.432 0.683 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2cnccn2)C1 ZINC001031740585 766985733 /nfs/dbraw/zinc/98/57/33/766985733.db2.gz FQCMTVCIFQDZJO-PBHICJAKSA-N 1 1 327.432 0.683 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nncn2C)C1 ZINC001031741191 766988313 /nfs/dbraw/zinc/98/83/13/766988313.db2.gz REPPDLRRQWXNJW-ZFWWWQNUSA-N 1 1 330.436 0.022 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nncn2C)C1 ZINC001031741191 766988317 /nfs/dbraw/zinc/98/83/17/766988317.db2.gz REPPDLRRQWXNJW-ZFWWWQNUSA-N 1 1 330.436 0.022 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]2O)c1 ZINC001083765079 766999847 /nfs/dbraw/zinc/99/98/47/766999847.db2.gz MHFIDRMEGCENJW-BBWFWOEESA-N 1 1 329.400 0.407 20 30 ECEDMO CC1(C)CC[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)N(CC#N)C1 ZINC001089674470 766999878 /nfs/dbraw/zinc/99/98/78/766999878.db2.gz ADGHQFNGWTUYBX-BHEGOAEISA-N 1 1 346.475 0.980 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nccn3C1)CO2 ZINC001053852291 767022515 /nfs/dbraw/zinc/02/25/15/767022515.db2.gz JVOAAULCPPRKCY-LSDHHAIUSA-N 1 1 330.432 0.981 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)CO2 ZINC001053853435 767026947 /nfs/dbraw/zinc/02/69/47/767026947.db2.gz FNYPLJYYVWCNJC-LBPRGKRZSA-N 1 1 343.387 0.813 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC4CC4)[C@@H]3C2)[nH]1 ZINC001042015425 782601830 /nfs/dbraw/zinc/60/18/30/782601830.db2.gz HNPWSCOZNOGQFU-BLLLJJGKSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC4CC4)[C@@H]3C2)[nH]1 ZINC001042015425 782601838 /nfs/dbraw/zinc/60/18/38/782601838.db2.gz HNPWSCOZNOGQFU-BLLLJJGKSA-N 1 1 341.415 0.701 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001089693151 767066730 /nfs/dbraw/zinc/06/67/30/767066730.db2.gz HIOQTLQMJUHFEK-QLFBSQMISA-N 1 1 335.448 0.649 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1 ZINC001016874058 767073879 /nfs/dbraw/zinc/07/38/79/767073879.db2.gz SSIORIFGLOHGKZ-GOEBONIOSA-N 1 1 338.473 0.948 20 30 ECEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001089703360 767104419 /nfs/dbraw/zinc/10/44/19/767104419.db2.gz IDZUYUMASASRGB-STQMWFEESA-N 1 1 336.436 0.767 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046252577 767110559 /nfs/dbraw/zinc/11/05/59/767110559.db2.gz CYNISUSRBRLIMG-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001046252871 767110805 /nfs/dbraw/zinc/11/08/05/767110805.db2.gz LIJXKWPSRUAODP-WMLDXEAASA-N 1 1 339.403 0.860 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253218 767110813 /nfs/dbraw/zinc/11/08/13/767110813.db2.gz SGMBOWOUNXOJGV-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253218 767110814 /nfs/dbraw/zinc/11/08/14/767110814.db2.gz SGMBOWOUNXOJGV-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO C=C(C)CN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875453 767111820 /nfs/dbraw/zinc/11/18/20/767111820.db2.gz DADCHQDQHAZMOX-BNQMIIOLSA-N 1 1 347.459 0.385 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3nccn3CC)C2)C1=O ZINC001046276752 767121911 /nfs/dbraw/zinc/12/19/11/767121911.db2.gz SHZIHZWYPBXQRO-KSSFIOAISA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3nccn3CC)C2)C1=O ZINC001046276752 767121913 /nfs/dbraw/zinc/12/19/13/767121913.db2.gz SHZIHZWYPBXQRO-KSSFIOAISA-N 1 1 345.447 0.884 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cn(CC)nn1)CO2 ZINC001053878636 767127108 /nfs/dbraw/zinc/12/71/08/767127108.db2.gz JQZZELRQDMMKLD-HNNXBMFYSA-N 1 1 333.436 0.766 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001089735179 767136695 /nfs/dbraw/zinc/13/66/95/767136695.db2.gz GLNOEFXFGFSDNJ-ZIAGYGMSSA-N 1 1 341.477 0.308 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001046311792 767140972 /nfs/dbraw/zinc/14/09/72/767140972.db2.gz LPIJPSUJYUWDMC-CYBMUJFWSA-N 1 1 335.448 0.374 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046329160 767151955 /nfs/dbraw/zinc/15/19/55/767151955.db2.gz IYNCFWMZDSULQC-MAZHCROVSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046329160 767151956 /nfs/dbraw/zinc/15/19/56/767151956.db2.gz IYNCFWMZDSULQC-MAZHCROVSA-N 1 1 329.404 0.591 20 30 ECEDMO Cc1nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001046329230 767152071 /nfs/dbraw/zinc/15/20/71/767152071.db2.gz KUSQHLOEULPYHX-VNQPRFMTSA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001046329230 767152072 /nfs/dbraw/zinc/15/20/72/767152072.db2.gz KUSQHLOEULPYHX-VNQPRFMTSA-N 1 1 343.431 0.899 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCC3(F)F)C2)C1=O ZINC001031758020 767159901 /nfs/dbraw/zinc/15/99/01/767159901.db2.gz MJRCJYGWSRCTBE-CHWSQXEVSA-N 1 1 327.375 0.867 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1noc2c1COCC2 ZINC001127609298 767163005 /nfs/dbraw/zinc/16/30/05/767163005.db2.gz URMOEFKLYWZKGV-DOMZBBRYSA-N 1 1 335.404 0.934 20 30 ECEDMO C=CCN1CC[C@H](N2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001031777210 767187125 /nfs/dbraw/zinc/18/71/25/767187125.db2.gz YRRXJTNOFFLWIH-CVEARBPZSA-N 1 1 334.464 0.306 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001046392923 767191723 /nfs/dbraw/zinc/19/17/23/767191723.db2.gz NWMVEUQYFNURGM-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001046392923 767191726 /nfs/dbraw/zinc/19/17/26/767191726.db2.gz NWMVEUQYFNURGM-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nnc[nH]1 ZINC001089791697 767200657 /nfs/dbraw/zinc/20/06/57/767200657.db2.gz JYGASUCRHHRTQN-JONQDZQNSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nc[nH]n1 ZINC001089791697 767200658 /nfs/dbraw/zinc/20/06/58/767200658.db2.gz JYGASUCRHHRTQN-JONQDZQNSA-N 1 1 327.432 0.929 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1nc[nH]n1 ZINC001089791697 767200659 /nfs/dbraw/zinc/20/06/59/767200659.db2.gz JYGASUCRHHRTQN-JONQDZQNSA-N 1 1 327.432 0.929 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCC(=O)N1C)CO2 ZINC001053887109 767204832 /nfs/dbraw/zinc/20/48/32/767204832.db2.gz HQIVDFGNNJHAPG-HUUCEWRRSA-N 1 1 335.448 0.923 20 30 ECEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046425985 767212465 /nfs/dbraw/zinc/21/24/65/767212465.db2.gz LQNPYDMBJWLERV-AWEZNQCLSA-N 1 1 325.390 0.145 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046425985 767212468 /nfs/dbraw/zinc/21/24/68/767212468.db2.gz LQNPYDMBJWLERV-AWEZNQCLSA-N 1 1 325.390 0.145 20 30 ECEDMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1)NC1CC1 ZINC001089805243 767233396 /nfs/dbraw/zinc/23/33/96/767233396.db2.gz DNPRAAMBJZHLEB-HPBDAGMYSA-N 1 1 341.455 0.847 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046540561 767291705 /nfs/dbraw/zinc/29/17/05/767291705.db2.gz XMDIAUAXQJXFAJ-VQIMIIECSA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046540561 767291706 /nfs/dbraw/zinc/29/17/06/767291706.db2.gz XMDIAUAXQJXFAJ-VQIMIIECSA-N 1 1 325.412 0.755 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc(C3CC3)nn2)C1 ZINC001089818386 767293914 /nfs/dbraw/zinc/29/39/14/767293914.db2.gz ADQQGLHFKUMHAM-OVWQWFNUSA-N 1 1 339.443 0.958 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CC)n(C)n2)C1 ZINC000994957704 767294090 /nfs/dbraw/zinc/29/40/90/767294090.db2.gz FTDJYPGBFCEIMC-INIZCTEOSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CC)n(C)n2)C1 ZINC000994957704 767294096 /nfs/dbraw/zinc/29/40/96/767294096.db2.gz FTDJYPGBFCEIMC-INIZCTEOSA-N 1 1 343.431 0.021 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908379 767329450 /nfs/dbraw/zinc/32/94/50/767329450.db2.gz RDTPMDGFAVXHQS-JKSUJKDBSA-N 1 1 342.443 0.737 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccnn1CCOC ZINC001089822944 767339220 /nfs/dbraw/zinc/33/92/20/767339220.db2.gz BKQTVYGFHLAYBM-HZMVEIRTSA-N 1 1 342.443 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cn(C)c(=O)[nH]3)C2)C1=O ZINC001046595251 767349117 /nfs/dbraw/zinc/34/91/17/767349117.db2.gz ZVYQZDABZOAHMV-DYVFJYSZSA-N 1 1 347.419 0.107 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001089827138 767352684 /nfs/dbraw/zinc/35/26/84/767352684.db2.gz KTGZFPYWZOEKGN-YXWQFLTLSA-N 1 1 326.400 0.196 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001046604688 767356400 /nfs/dbraw/zinc/35/64/00/767356400.db2.gz MOWFCAYEDSUYRI-QAPCUYQASA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001046604688 767356407 /nfs/dbraw/zinc/35/64/07/767356407.db2.gz MOWFCAYEDSUYRI-QAPCUYQASA-N 1 1 326.400 0.488 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(N)=O)co1)CO2 ZINC001053921964 767365140 /nfs/dbraw/zinc/36/51/40/767365140.db2.gz RTMWYYWQMOCUAM-ZDUSSCGKSA-N 1 1 333.388 0.918 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001106147252 767370094 /nfs/dbraw/zinc/37/00/94/767370094.db2.gz MNVGOZXPTNHKEW-GXTWGEPZSA-N 1 1 332.408 0.112 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046629357 767397397 /nfs/dbraw/zinc/39/73/97/767397397.db2.gz XOSJQILDHDJUAD-GJYPPUQNSA-N 1 1 343.402 0.879 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046629357 767397403 /nfs/dbraw/zinc/39/74/03/767397403.db2.gz XOSJQILDHDJUAD-GJYPPUQNSA-N 1 1 343.402 0.879 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nccc(SC)n1 ZINC001106154000 767403408 /nfs/dbraw/zinc/40/34/08/767403408.db2.gz DIONRGQZQVAHDJ-OLZOCXBDSA-N 1 1 349.460 0.185 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nccc(SC)n1 ZINC001106154000 767403412 /nfs/dbraw/zinc/40/34/12/767403412.db2.gz DIONRGQZQVAHDJ-OLZOCXBDSA-N 1 1 349.460 0.185 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001106158246 767424017 /nfs/dbraw/zinc/42/40/17/767424017.db2.gz QVXZBQALLKCNFR-ZIAGYGMSSA-N 1 1 332.408 0.112 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106158628 767425357 /nfs/dbraw/zinc/42/53/57/767425357.db2.gz XPNDQFFEHXNVHL-LSDHHAIUSA-N 1 1 331.420 0.717 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3cccnn31)CO2 ZINC001053948470 767428978 /nfs/dbraw/zinc/42/89/78/767428978.db2.gz MZEQPRNJTGKPRP-CYBMUJFWSA-N 1 1 327.388 0.879 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H](CC)OC)C3)C2)nn1 ZINC001053949471 767432226 /nfs/dbraw/zinc/43/22/26/767432226.db2.gz IHKVQLXQVYURKJ-ZIAGYGMSSA-N 1 1 349.435 0.462 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)nn1 ZINC001053949696 767433390 /nfs/dbraw/zinc/43/33/90/767433390.db2.gz NXKOSDGQWDQTJB-UONOGXRCSA-N 1 1 347.419 0.074 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001046681636 767471620 /nfs/dbraw/zinc/47/16/20/767471620.db2.gz QQPLUZRJDUQSDC-BLLLJJGKSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nn1 ZINC001046681636 767471623 /nfs/dbraw/zinc/47/16/23/767471623.db2.gz QQPLUZRJDUQSDC-BLLLJJGKSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001046681538 767471669 /nfs/dbraw/zinc/47/16/69/767471669.db2.gz OJLOAXXFOFTAIS-SJKOYZFVSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001046681538 767471672 /nfs/dbraw/zinc/47/16/72/767471672.db2.gz OJLOAXXFOFTAIS-SJKOYZFVSA-N 1 1 346.435 0.325 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001106169790 767479190 /nfs/dbraw/zinc/47/91/90/767479190.db2.gz LVZWJOYXKGWSOD-UKRRQHHQSA-N 1 1 346.435 0.358 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046685152 767480376 /nfs/dbraw/zinc/48/03/76/767480376.db2.gz PMSSIACRUJELOT-CABCVRRESA-N 1 1 335.448 0.067 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001046685798 767482623 /nfs/dbraw/zinc/48/26/23/767482623.db2.gz DBFMXNSGFKBNPQ-MRXNPFEDSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001046685798 767482624 /nfs/dbraw/zinc/48/26/24/767482624.db2.gz DBFMXNSGFKBNPQ-MRXNPFEDSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(=O)NC)nc1)CO2 ZINC001053985362 767534328 /nfs/dbraw/zinc/53/43/28/767534328.db2.gz OMNXUBXKWCZBOJ-AWEZNQCLSA-N 1 1 344.415 0.590 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cccnn3)C2)C1=O ZINC001046721461 767541382 /nfs/dbraw/zinc/54/13/82/767541382.db2.gz JBZUTSNGYNYSBR-YOEHRIQHSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cccnn3)C2)C1=O ZINC001046721461 767541386 /nfs/dbraw/zinc/54/13/86/767541386.db2.gz JBZUTSNGYNYSBR-YOEHRIQHSA-N 1 1 329.404 0.458 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001054039444 767638645 /nfs/dbraw/zinc/63/86/45/767638645.db2.gz BCIVMYSYHTZFQG-HZPDHXFCSA-N 1 1 327.384 0.661 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001054039444 767638648 /nfs/dbraw/zinc/63/86/48/767638648.db2.gz BCIVMYSYHTZFQG-HZPDHXFCSA-N 1 1 327.384 0.661 20 30 ECEDMO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054048988 767647450 /nfs/dbraw/zinc/64/74/50/767647450.db2.gz NQCMACLZVPRTOP-HOTGVXAUSA-N 1 1 328.416 0.739 20 30 ECEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054048988 767647453 /nfs/dbraw/zinc/64/74/53/767647453.db2.gz NQCMACLZVPRTOP-HOTGVXAUSA-N 1 1 328.416 0.739 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001017159665 767666175 /nfs/dbraw/zinc/66/61/75/767666175.db2.gz ARKUTHJJHGCXBD-ZIAGYGMSSA-N 1 1 332.448 0.985 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)CNC(C)=O)C[C@@H](C)O2 ZINC001111533193 767714315 /nfs/dbraw/zinc/71/43/15/767714315.db2.gz FKZPVAVPVAGZLT-CYBMUJFWSA-N 1 1 343.855 0.957 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1=O ZINC001017233911 767748676 /nfs/dbraw/zinc/74/86/76/767748676.db2.gz ZGQYJMBGQZBFKI-KGLIPLIRSA-N 1 1 346.435 0.376 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001054155697 767751197 /nfs/dbraw/zinc/75/11/97/767751197.db2.gz XPHZUMGYJWBKCB-IBGZPJMESA-N 1 1 348.491 0.651 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3cnon3)C2)C1=O ZINC001017235680 767751630 /nfs/dbraw/zinc/75/16/30/767751630.db2.gz JODNJTZINZUZQO-UKRRQHHQSA-N 1 1 347.419 0.641 20 30 ECEDMO CC#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780755 767816390 /nfs/dbraw/zinc/81/63/90/767816390.db2.gz ZEFCJGWYEALQTN-GDBMZVCRSA-N 1 1 330.436 0.116 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001054234451 767843213 /nfs/dbraw/zinc/84/32/13/767843213.db2.gz DZCIKGGELOWDQL-SFHVURJKSA-N 1 1 345.447 0.228 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001054234450 767843783 /nfs/dbraw/zinc/84/37/83/767843783.db2.gz DZCIKGGELOWDQL-GOSISDBHSA-N 1 1 345.447 0.228 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106539403 768419064 /nfs/dbraw/zinc/41/90/64/768419064.db2.gz MCQBXIQDJNUVSU-DZGCQCFKSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)nn2)C1 ZINC001106539403 768419070 /nfs/dbraw/zinc/41/90/70/768419070.db2.gz MCQBXIQDJNUVSU-DZGCQCFKSA-N 1 1 346.435 0.764 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)C1 ZINC001054935204 768443686 /nfs/dbraw/zinc/44/36/86/768443686.db2.gz FOAUMSQMPMOJOM-FXUDXRNXSA-N 1 1 341.415 0.510 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)C1 ZINC001054935204 768443690 /nfs/dbraw/zinc/44/36/90/768443690.db2.gz FOAUMSQMPMOJOM-FXUDXRNXSA-N 1 1 341.415 0.510 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 ZINC001055033101 768538839 /nfs/dbraw/zinc/53/88/39/768538839.db2.gz IPLJIUGOXQEUKD-ILXRZTDVSA-N 1 1 337.387 0.779 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)C1 ZINC001055034257 768539739 /nfs/dbraw/zinc/53/97/39/768539739.db2.gz JOCRNRQMLREOBW-ATGSNQNLSA-N 1 1 326.404 0.526 20 30 ECEDMO C[C@@H](CCNc1ncccc1C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106643092 768546670 /nfs/dbraw/zinc/54/66/70/768546670.db2.gz XYSFLQZOQWJPDJ-GZBFAFLISA-N 1 1 331.420 0.979 20 30 ECEDMO C[C@@H](CCNc1ncccc1C#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106643092 768546675 /nfs/dbraw/zinc/54/66/75/768546675.db2.gz XYSFLQZOQWJPDJ-GZBFAFLISA-N 1 1 331.420 0.979 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CCn1cncn1 ZINC000993233396 768614193 /nfs/dbraw/zinc/61/41/93/768614193.db2.gz KVYHDDBMSUTGCV-TZMCWYRMSA-N 1 1 327.392 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000993246944 768637081 /nfs/dbraw/zinc/63/70/81/768637081.db2.gz DMYVFHHUAZYART-INIZCTEOSA-N 1 1 340.427 0.930 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000993246944 768637085 /nfs/dbraw/zinc/63/70/85/768637085.db2.gz DMYVFHHUAZYART-INIZCTEOSA-N 1 1 340.427 0.930 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(CCOC)nn3)C[C@@H]21 ZINC001042053347 782684968 /nfs/dbraw/zinc/68/49/68/782684968.db2.gz YSSZXJZHFDAPST-HOCLYGCPSA-N 1 1 331.420 0.484 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001018063157 768679105 /nfs/dbraw/zinc/67/91/05/768679105.db2.gz JUGMZOOKNGBMEV-OKILXGFUSA-N 1 1 339.399 0.643 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)COC(C)C)C[C@@H]2C1 ZINC001055221539 768679219 /nfs/dbraw/zinc/67/92/19/768679219.db2.gz RAPWYIUPRZEWMV-BBWFWOEESA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)COC(C)C)C[C@@H]2C1 ZINC001055221539 768679222 /nfs/dbraw/zinc/67/92/22/768679222.db2.gz RAPWYIUPRZEWMV-BBWFWOEESA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(F)cn1 ZINC001055239438 768695301 /nfs/dbraw/zinc/69/53/01/768695301.db2.gz BCJXYGSJXVVZOU-QPSCCSFWSA-N 1 1 343.406 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(F)cn1 ZINC001055239438 768695304 /nfs/dbraw/zinc/69/53/04/768695304.db2.gz BCJXYGSJXVVZOU-QPSCCSFWSA-N 1 1 343.406 0.939 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(C)cc(C)nc1=O ZINC001018108384 768737204 /nfs/dbraw/zinc/73/72/04/768737204.db2.gz NDJZLHMVNVRPLL-IYBDPMFKSA-N 1 1 328.416 0.559 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001055310213 768765709 /nfs/dbraw/zinc/76/57/09/768765709.db2.gz DDEUMRVTBRBADO-WCXIOVBPSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001055310213 768765714 /nfs/dbraw/zinc/76/57/14/768765714.db2.gz DDEUMRVTBRBADO-WCXIOVBPSA-N 1 1 347.459 0.426 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001055359654 768813438 /nfs/dbraw/zinc/81/34/38/768813438.db2.gz WPAAFMKWJQFEDN-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001055359654 768813446 /nfs/dbraw/zinc/81/34/46/768813446.db2.gz WPAAFMKWJQFEDN-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)C1 ZINC001055361865 768813941 /nfs/dbraw/zinc/81/39/41/768813941.db2.gz BUWIXKFOLFYXSP-NHIYQJMISA-N 1 1 340.431 0.916 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993343783 768814341 /nfs/dbraw/zinc/81/43/41/768814341.db2.gz CGGZSHKQUYUBNS-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993354805 768853288 /nfs/dbraw/zinc/85/32/88/768853288.db2.gz UBYISNYWMYBQLJ-NVXWUHKLSA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993354805 768853300 /nfs/dbraw/zinc/85/33/00/768853300.db2.gz UBYISNYWMYBQLJ-NVXWUHKLSA-N 1 1 338.415 0.694 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C ZINC000993371077 768899266 /nfs/dbraw/zinc/89/92/66/768899266.db2.gz YFVGYKCVRGNFGQ-STQMWFEESA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(F)F)CC1 ZINC001055486658 768917457 /nfs/dbraw/zinc/91/74/57/768917457.db2.gz ZQFFRVAEMWIPSR-LLVKDONJSA-N 1 1 333.379 0.539 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC1CC[NH+](CCNC(=O)C(C)(C)F)CC1 ZINC001055491855 768932695 /nfs/dbraw/zinc/93/26/95/768932695.db2.gz ZRMYCHOJGVCBFO-KRWDZBQOSA-N 1 1 343.443 0.758 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC000993390634 768937709 /nfs/dbraw/zinc/93/77/09/768937709.db2.gz FXGWRNXITVXMOA-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cn(C)c3ccccc23)[C@@H](O)C1 ZINC001083740317 768974060 /nfs/dbraw/zinc/97/40/60/768974060.db2.gz YCFHUKFKAUUURN-AEFFLSMTSA-N 1 1 325.412 0.905 20 30 ECEDMO C[C@@H](C[C@H](C)Nc1nccnc1C#N)NC(=O)CC[NH+]1CCOCC1 ZINC001089353587 769009387 /nfs/dbraw/zinc/00/93/87/769009387.db2.gz BORKZECNPZELFC-KBPBESRZSA-N 1 1 346.435 0.766 20 30 ECEDMO CCN(CCNc1ncccc1C#N)C(=O)CC[NH+]1CCOCC1 ZINC001106797901 769015294 /nfs/dbraw/zinc/01/52/94/769015294.db2.gz BJXFCNVCJVCXGH-UHFFFAOYSA-N 1 1 331.420 0.936 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001031276061 769035119 /nfs/dbraw/zinc/03/51/19/769035119.db2.gz IWEDVKOVKQAVLB-LIRRHRJNSA-N 1 1 341.411 0.934 20 30 ECEDMO Cc1ocnc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055535718 769042140 /nfs/dbraw/zinc/04/21/40/769042140.db2.gz BLHXGDXXANFBGD-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO CCc1oncc1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055577578 769168325 /nfs/dbraw/zinc/16/83/25/769168325.db2.gz ONNIPYISVCITOO-LBPRGKRZSA-N 1 1 347.419 0.707 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H]1C ZINC000993527197 769228421 /nfs/dbraw/zinc/22/84/21/769228421.db2.gz ZMVNDNUGJFSIJR-OLZOCXBDSA-N 1 1 328.376 0.535 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001055602100 769234484 /nfs/dbraw/zinc/23/44/84/769234484.db2.gz PBEGCMLNVCIWDJ-UHFFFAOYSA-N 1 1 348.491 0.745 20 30 ECEDMO COc1cc(C(=O)NC2CC[NH+](CCNC(=O)[C@@H](C)C#N)CC2)on1 ZINC001055629426 769295448 /nfs/dbraw/zinc/29/54/48/769295448.db2.gz AAJHGTWYIDVWAN-NSHDSACASA-N 1 1 349.391 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2OCC(N)=O)[C@H]1C ZINC000993562079 769318633 /nfs/dbraw/zinc/31/86/33/769318633.db2.gz DKRTUQIXUUCTBJ-HIFRSBDPSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2OCC(N)=O)[C@H]1C ZINC000993562079 769318644 /nfs/dbraw/zinc/31/86/44/769318644.db2.gz DKRTUQIXUUCTBJ-HIFRSBDPSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1C ZINC000993620489 769371237 /nfs/dbraw/zinc/37/12/37/769371237.db2.gz JCAWEGUEDPHQRT-CHWSQXEVSA-N 1 1 327.388 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H]1C ZINC000993620489 769371248 /nfs/dbraw/zinc/37/12/48/769371248.db2.gz JCAWEGUEDPHQRT-CHWSQXEVSA-N 1 1 327.388 0.547 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H]1C ZINC000993589894 769380020 /nfs/dbraw/zinc/38/00/20/769380020.db2.gz LVINHYYNPRSQJO-LSDHHAIUSA-N 1 1 343.493 0.957 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C ZINC000993654896 769433220 /nfs/dbraw/zinc/43/32/20/769433220.db2.gz CDPUFDXOWYHYQA-WCQYABFASA-N 1 1 342.407 0.300 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C ZINC000993654896 769433227 /nfs/dbraw/zinc/43/32/27/769433227.db2.gz CDPUFDXOWYHYQA-WCQYABFASA-N 1 1 342.407 0.300 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C ZINC000993663191 769497281 /nfs/dbraw/zinc/49/72/81/769497281.db2.gz CRYSCMOAUIVXJX-AAEUAGOBSA-N 1 1 344.423 0.853 20 30 ECEDMO CCn1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1 ZINC001078358547 782768549 /nfs/dbraw/zinc/76/85/49/782768549.db2.gz RJKIWZXJDDUTGQ-OCCSQVGLSA-N 1 1 334.424 0.473 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000993862731 769712487 /nfs/dbraw/zinc/71/24/87/769712487.db2.gz CYLNLECSHXIOSL-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)c1 ZINC001018681856 769755519 /nfs/dbraw/zinc/75/55/19/769755519.db2.gz JZIVSKFWKAJJJD-LBPRGKRZSA-N 1 1 341.375 0.012 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC000993898023 769804641 /nfs/dbraw/zinc/80/46/41/769804641.db2.gz DZCYEUUSIFMCOY-OCCSQVGLSA-N 1 1 334.420 0.243 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)[nH]1 ZINC001018730448 769818944 /nfs/dbraw/zinc/81/89/44/769818944.db2.gz BUMHVJOZHKZLOH-LBPRGKRZSA-N 1 1 325.376 0.886 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001055824688 769862820 /nfs/dbraw/zinc/86/28/20/769862820.db2.gz BBTMISSUXGISLR-OAHLLOKOSA-N 1 1 347.394 0.462 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001055824688 769862833 /nfs/dbraw/zinc/86/28/33/769862833.db2.gz BBTMISSUXGISLR-OAHLLOKOSA-N 1 1 347.394 0.462 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000993907646 769863696 /nfs/dbraw/zinc/86/36/96/769863696.db2.gz HOMMYBHHDTXLKN-MGPQQGTHSA-N 1 1 343.431 0.662 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@@H]21 ZINC001042118286 782801171 /nfs/dbraw/zinc/80/11/71/782801171.db2.gz WCLSTBBSJJXSLH-ZBFHGGJFSA-N 1 1 328.416 0.973 20 30 ECEDMO N#Cc1nccc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)n1 ZINC001055912385 770188816 /nfs/dbraw/zinc/18/88/16/770188816.db2.gz HZBJPBDWNSLPBM-CABCVRRESA-N 1 1 340.431 0.871 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c(C)nc[nH]c3=O)C[C@H]21 ZINC001042128953 782817133 /nfs/dbraw/zinc/81/71/33/782817133.db2.gz CILNITQWKHRFKX-GDBMZVCRSA-N 1 1 328.416 0.979 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)C1 ZINC001018952195 770365545 /nfs/dbraw/zinc/36/55/45/770365545.db2.gz OGFZTSSLANNRLS-ZDUSSCGKSA-N 1 1 341.415 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccc(CC)n2)C1 ZINC000994236008 770367885 /nfs/dbraw/zinc/36/78/85/770367885.db2.gz QRAMYVOMNVDGFJ-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccc(CC)n2)C1 ZINC000994236008 770367897 /nfs/dbraw/zinc/36/78/97/770367897.db2.gz QRAMYVOMNVDGFJ-KRWDZBQOSA-N 1 1 340.427 0.682 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CC(C)(C)O)C2)C1 ZINC001018980780 770466152 /nfs/dbraw/zinc/46/61/52/770466152.db2.gz BDTFIGQBQUNZJT-HNNXBMFYSA-N 1 1 347.459 0.306 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CC(C)(C)O)C2)C1 ZINC001018980780 770466158 /nfs/dbraw/zinc/46/61/58/770466158.db2.gz BDTFIGQBQUNZJT-HNNXBMFYSA-N 1 1 347.459 0.306 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001055991373 770477995 /nfs/dbraw/zinc/47/79/95/770477995.db2.gz LJSSHPXSGHOPGJ-QGZVFWFLSA-N 1 1 343.431 0.711 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001055991373 770478000 /nfs/dbraw/zinc/47/80/00/770478000.db2.gz LJSSHPXSGHOPGJ-QGZVFWFLSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nc(COC)no2)C1 ZINC001018985740 770483309 /nfs/dbraw/zinc/48/33/09/770483309.db2.gz CBOPWEZZJLNZIQ-KBPBESRZSA-N 1 1 347.419 0.004 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nc(COC)no2)C1 ZINC001018985740 770483314 /nfs/dbraw/zinc/48/33/14/770483314.db2.gz CBOPWEZZJLNZIQ-KBPBESRZSA-N 1 1 347.419 0.004 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001042141561 782842146 /nfs/dbraw/zinc/84/21/46/782842146.db2.gz GTGVKOFBPVUGRO-GJZGRUSLSA-N 1 1 331.416 0.472 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4sccn4c3=O)C[C@H]21 ZINC001042143988 782844592 /nfs/dbraw/zinc/84/45/92/782844592.db2.gz ZVCCPIKOLXSYTQ-GXTWGEPZSA-N 1 1 342.424 0.926 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]21 ZINC001042143651 782844660 /nfs/dbraw/zinc/84/46/60/782844660.db2.gz VPLUWOZERNFLPE-UONOGXRCSA-N 1 1 332.404 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001056054966 770691212 /nfs/dbraw/zinc/69/12/12/770691212.db2.gz BGFGHBVDKUSQMW-IUVQAAGXSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001056054966 770691216 /nfs/dbraw/zinc/69/12/16/770691216.db2.gz BGFGHBVDKUSQMW-IUVQAAGXSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nccc(SC)n2)CC1 ZINC001056067290 770731411 /nfs/dbraw/zinc/73/14/11/770731411.db2.gz BOBMMNHORYXIRJ-AWEZNQCLSA-N 1 1 345.472 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nccc(SC)n2)CC1 ZINC001056067290 770731413 /nfs/dbraw/zinc/73/14/13/770731413.db2.gz BOBMMNHORYXIRJ-AWEZNQCLSA-N 1 1 345.472 0.945 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)nnn4C)C[C@@H]21 ZINC001042156753 782866067 /nfs/dbraw/zinc/86/60/67/782866067.db2.gz VYMBNEZQCNSQIT-CJNGLKHVSA-N 1 1 338.415 0.923 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@@H]1C ZINC000994426321 770780801 /nfs/dbraw/zinc/78/08/01/770780801.db2.gz HZGMNMILLMBACX-KBPBESRZSA-N 1 1 326.404 0.659 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnc4c(c3)nnn4C)C[C@H]21 ZINC001042156909 782868050 /nfs/dbraw/zinc/86/80/50/782868050.db2.gz XINXAZMURZFJEU-CZUORRHYSA-N 1 1 338.415 0.923 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[N@H+](C)CC ZINC001078398653 782869958 /nfs/dbraw/zinc/86/99/58/782869958.db2.gz PCFJJGXKSFRITC-HOTGVXAUSA-N 1 1 336.480 0.437 20 30 ECEDMO CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001078398749 782871631 /nfs/dbraw/zinc/87/16/31/782871631.db2.gz STMQPHUMPYBHSI-OAHLLOKOSA-N 1 1 346.435 0.204 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001056124869 770884931 /nfs/dbraw/zinc/88/49/31/770884931.db2.gz QYHREUGKGASESC-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)SC)C2 ZINC001019143674 770916333 /nfs/dbraw/zinc/91/63/33/770916333.db2.gz ROZXESLDRVEOGO-CABCVRRESA-N 1 1 349.500 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)SC)C2 ZINC001019143674 770916336 /nfs/dbraw/zinc/91/63/36/770916336.db2.gz ROZXESLDRVEOGO-CABCVRRESA-N 1 1 349.500 0.896 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001060693326 770963638 /nfs/dbraw/zinc/96/36/38/770963638.db2.gz YBCKOSZSHFJMNH-BZUAXINKSA-N 1 1 337.464 0.932 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]21 ZINC001056228041 771020813 /nfs/dbraw/zinc/02/08/13/771020813.db2.gz NTZWLRLRKYKNKA-VIKVFOODSA-N 1 1 340.362 0.848 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)C1 ZINC001056252714 771044656 /nfs/dbraw/zinc/04/46/56/771044656.db2.gz GLZIXQVHJNYZIG-APNQJHFZSA-N 1 1 326.404 0.241 20 30 ECEDMO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCc3[nH+]ccn32)n1 ZINC001056322745 771124887 /nfs/dbraw/zinc/12/48/87/771124887.db2.gz XIQUAWYAIZEPPR-ZHRONYKTSA-N 1 1 349.398 0.673 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC(C)(C)C1 ZINC001089423960 771125619 /nfs/dbraw/zinc/12/56/19/771125619.db2.gz QSMSSUAYLRYQCJ-HNNXBMFYSA-N 1 1 336.480 0.553 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001056356376 771165806 /nfs/dbraw/zinc/16/58/06/771165806.db2.gz UESWBTQPHUAOEG-VVLHAWIVSA-N 1 1 325.416 0.988 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)CC(C)(C)C1 ZINC001089456730 771224376 /nfs/dbraw/zinc/22/43/76/771224376.db2.gz LXBWYAOZTPQMCN-OAHLLOKOSA-N 1 1 334.464 0.048 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001056414483 771247164 /nfs/dbraw/zinc/24/71/64/771247164.db2.gz ZDOJLAGYHIGMEI-HOTGVXAUSA-N 1 1 346.431 0.986 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3snnc3C)C2)C1=O ZINC001031543366 771256036 /nfs/dbraw/zinc/25/60/36/771256036.db2.gz PAQIBAMAIKCLDV-GFCCVEGCSA-N 1 1 335.433 0.295 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001019406033 771259695 /nfs/dbraw/zinc/25/96/95/771259695.db2.gz ZLRHHPHBEVDXNV-MJBXVCDLSA-N 1 1 337.399 0.529 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3COCCO3)C2)cc1C#N ZINC001031554990 771272258 /nfs/dbraw/zinc/27/22/58/771272258.db2.gz NSAYUAXWLHCQKT-QGZVFWFLSA-N 1 1 345.399 0.530 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001056442648 771272886 /nfs/dbraw/zinc/27/28/86/771272886.db2.gz HDXRZLMLMSWMCO-DLBZAZTESA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127485852 771334474 /nfs/dbraw/zinc/33/44/74/771334474.db2.gz DXHKXRQITBQNSC-CQSZACIVSA-N 1 1 346.435 0.719 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nn(CC)nc3C)C2)nn1 ZINC001019482346 771345939 /nfs/dbraw/zinc/34/59/39/771345939.db2.gz PVWZLLYXONNVLV-ZDUSSCGKSA-N 1 1 344.423 0.388 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001060732517 771361970 /nfs/dbraw/zinc/36/19/70/771361970.db2.gz LRGDBBBUBNKMEN-QBPKDAKJSA-N 1 1 349.475 0.910 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)CCOCCNc2ccc(C#N)nn2)CC[N@H+]1C ZINC001127505529 771384475 /nfs/dbraw/zinc/38/44/75/771384475.db2.gz SBNYHVBHGVOZLT-UKRRQHHQSA-N 1 1 346.435 0.575 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001060735496 771455241 /nfs/dbraw/zinc/45/52/41/771455241.db2.gz YJFSZCMDOIHPSD-QAETUUGQSA-N 1 1 349.475 0.768 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001019552325 771472527 /nfs/dbraw/zinc/47/25/27/771472527.db2.gz POHWXIXZXOYLOW-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO CC(C)N1CC[C@@H]([NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001031624569 771512465 /nfs/dbraw/zinc/51/24/65/771512465.db2.gz YKOPUNZZODRXMT-OAHLLOKOSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnnc(C)c3)C2)C1=O ZINC001031635401 771552073 /nfs/dbraw/zinc/55/20/73/771552073.db2.gz RXDMCYQFCFHPJO-OAHLLOKOSA-N 1 1 329.404 0.234 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)no1 ZINC001056727334 771562253 /nfs/dbraw/zinc/56/22/53/771562253.db2.gz XFFBCSXYFFTJAO-LLVKDONJSA-N 1 1 341.375 0.724 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC(C)C)CCCO1 ZINC001019611232 771592094 /nfs/dbraw/zinc/59/20/94/771592094.db2.gz DRRCNZQKNDABDW-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC(C)C)CCCO1 ZINC001019611232 771592097 /nfs/dbraw/zinc/59/20/97/771592097.db2.gz DRRCNZQKNDABDW-SJORKVTESA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C(C)=C\C)CCCO1 ZINC001019612102 771594364 /nfs/dbraw/zinc/59/43/64/771594364.db2.gz XLGCHMYAFRKIPT-WCLYRPPWSA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C(C)=C\C)CCCO1 ZINC001019612102 771594367 /nfs/dbraw/zinc/59/43/67/771594367.db2.gz XLGCHMYAFRKIPT-WCLYRPPWSA-N 1 1 347.459 0.784 20 30 ECEDMO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)cc1F ZINC001019629731 771631301 /nfs/dbraw/zinc/63/13/01/771631301.db2.gz QATCWVWEASRDEZ-ZDUSSCGKSA-N 1 1 328.351 0.749 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3ccnc(C#N)n3)C2)C1 ZINC001057030257 771967883 /nfs/dbraw/zinc/96/78/83/771967883.db2.gz YZMGRHXJCBXZOQ-KGLIPLIRSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3nccnc3C#N)C2)CC[N@H+]1C ZINC001057052890 772001192 /nfs/dbraw/zinc/00/11/92/772001192.db2.gz RUVWTKUGIRQFAB-MGPQQGTHSA-N 1 1 328.420 0.726 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)SC)[C@H]1C ZINC001020081307 772136316 /nfs/dbraw/zinc/13/63/16/772136316.db2.gz YZRGOLWRLZMAMH-XGUBFFRZSA-N 1 1 337.489 0.941 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)SC)[C@H]1C ZINC001020081307 772136319 /nfs/dbraw/zinc/13/63/19/772136319.db2.gz YZRGOLWRLZMAMH-XGUBFFRZSA-N 1 1 337.489 0.941 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001057146792 772165192 /nfs/dbraw/zinc/16/51/92/772165192.db2.gz OGAJSOLGUWAVML-MRXNPFEDSA-N 1 1 343.431 0.713 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001057146792 772165194 /nfs/dbraw/zinc/16/51/94/772165194.db2.gz OGAJSOLGUWAVML-MRXNPFEDSA-N 1 1 343.431 0.713 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1C ZINC001020108946 772167936 /nfs/dbraw/zinc/16/79/36/772167936.db2.gz ZQEFMWUUGAQDPO-FZKCQIBNSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1C ZINC001020108946 772167938 /nfs/dbraw/zinc/16/79/38/772167938.db2.gz ZQEFMWUUGAQDPO-FZKCQIBNSA-N 1 1 333.432 0.226 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]21 ZINC001042254455 782989413 /nfs/dbraw/zinc/98/94/13/782989413.db2.gz LAOIMZIOGMMZFP-UKRRQHHQSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]21 ZINC001042254455 782989415 /nfs/dbraw/zinc/98/94/15/782989415.db2.gz LAOIMZIOGMMZFP-UKRRQHHQSA-N 1 1 326.462 0.920 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001020123964 772186622 /nfs/dbraw/zinc/18/66/22/772186622.db2.gz RLCMQQAPUMUDJZ-CQDKDKBSSA-N 1 1 329.404 0.700 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001057172606 772213197 /nfs/dbraw/zinc/21/31/97/772213197.db2.gz KPRZYBQSGOREGC-HNNXBMFYSA-N 1 1 348.447 0.657 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001057174274 772214983 /nfs/dbraw/zinc/21/49/83/772214983.db2.gz XQCJCRDMGRISKU-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001020167827 772237682 /nfs/dbraw/zinc/23/76/82/772237682.db2.gz HTJURTONJOPJDM-KSTCHIGDSA-N 1 1 334.424 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C=C\C(C)(C)C ZINC001057216972 772296135 /nfs/dbraw/zinc/29/61/35/772296135.db2.gz LMZBTYPUHMXPIV-QWGSZXSUSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C=C\C(C)(C)C ZINC001057216972 772296137 /nfs/dbraw/zinc/29/61/37/772296137.db2.gz LMZBTYPUHMXPIV-QWGSZXSUSA-N 1 1 349.475 0.623 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057234804 772319144 /nfs/dbraw/zinc/31/91/44/772319144.db2.gz QEEFETYBBJKTKC-CQSZACIVSA-N 1 1 328.420 0.729 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H](C)c2nc(C)no2)C1 ZINC001020251361 772353123 /nfs/dbraw/zinc/35/31/23/772353123.db2.gz IJUYLWDDYYTXHK-MXAVVETBSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H](C)c2nc(C)no2)C1 ZINC001020251361 772353127 /nfs/dbraw/zinc/35/31/27/772353127.db2.gz IJUYLWDDYYTXHK-MXAVVETBSA-N 1 1 331.420 0.773 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)C[N@H+]2CCC[C@H]2C)nn1 ZINC001078468012 783006329 /nfs/dbraw/zinc/00/63/29/783006329.db2.gz VDPGQDDBNBSSEJ-UONOGXRCSA-N 1 1 348.451 0.573 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(F)=C(C)C ZINC001057334677 772480065 /nfs/dbraw/zinc/48/00/65/772480065.db2.gz YOZJFFGXALBQDT-AWEZNQCLSA-N 1 1 339.411 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(F)=C(C)C ZINC001057334677 772480068 /nfs/dbraw/zinc/48/00/68/772480068.db2.gz YOZJFFGXALBQDT-AWEZNQCLSA-N 1 1 339.411 0.285 20 30 ECEDMO N#Cc1nccnc1NC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001057345502 772493415 /nfs/dbraw/zinc/49/34/15/772493415.db2.gz CXGPVACBRXXLQB-UHFFFAOYSA-N 1 1 344.419 0.473 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057403348 772575800 /nfs/dbraw/zinc/57/58/00/772575800.db2.gz RKPHYCKVIVUULU-AWEZNQCLSA-N 1 1 328.420 0.657 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC(Nc3ccnc(C#N)n3)CC2)CC[N@H+]1C ZINC001057443441 772619611 /nfs/dbraw/zinc/61/96/11/772619611.db2.gz QBPWXRCSWNRALC-TZMCWYRMSA-N 1 1 328.420 0.513 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC(Nc2ccnc(C#N)n2)CC1)C1CCC1 ZINC001057447065 772624366 /nfs/dbraw/zinc/62/43/66/772624366.db2.gz XQYMRXXAIHKMNP-UHFFFAOYSA-N 1 1 328.420 0.657 20 30 ECEDMO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001057532999 772728260 /nfs/dbraw/zinc/72/82/60/772728260.db2.gz GJXGRJYWKNWTTA-DLBZAZTESA-N 1 1 347.459 0.211 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001057587364 772783413 /nfs/dbraw/zinc/78/34/13/772783413.db2.gz DIYLYBOCCZSCGO-HNNXBMFYSA-N 1 1 325.453 0.763 20 30 ECEDMO C=CCn1cccc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057636031 772843141 /nfs/dbraw/zinc/84/31/41/772843141.db2.gz LWUYDKHDBKUYKO-OAHLLOKOSA-N 1 1 348.447 0.177 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](Nc3ccnc(C#N)n3)C2)CC[N@H+]1C ZINC001057770975 772972204 /nfs/dbraw/zinc/97/22/04/772972204.db2.gz QKKWRSSJECQOII-MGPQQGTHSA-N 1 1 328.420 0.513 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001057786335 772982476 /nfs/dbraw/zinc/98/24/76/772982476.db2.gz UMFKGQAMTDLWMJ-INIZCTEOSA-N 1 1 343.431 0.616 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001057786335 772982479 /nfs/dbraw/zinc/98/24/79/772982479.db2.gz UMFKGQAMTDLWMJ-INIZCTEOSA-N 1 1 343.431 0.616 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001057806930 773006336 /nfs/dbraw/zinc/00/63/36/773006336.db2.gz XGHUBNRBRUEFCT-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001057806930 773006341 /nfs/dbraw/zinc/00/63/41/773006341.db2.gz XGHUBNRBRUEFCT-OAHLLOKOSA-N 1 1 341.452 0.001 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057864076 773090059 /nfs/dbraw/zinc/09/00/59/773090059.db2.gz AXSJZPJQUMXFBU-UHFFFAOYSA-N 1 1 327.469 0.866 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CCN(c2cncc(C#N)n2)CC1 ZINC001057918210 773182876 /nfs/dbraw/zinc/18/28/76/773182876.db2.gz GNZPUQGELYTKFO-UHFFFAOYSA-N 1 1 325.376 0.638 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057946085 773246605 /nfs/dbraw/zinc/24/66/05/773246605.db2.gz QMZRKXZRGJTZLM-CYBMUJFWSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CC(C)C1 ZINC001057961207 773291236 /nfs/dbraw/zinc/29/12/36/773291236.db2.gz MSIDPFYPJWHYKX-GPANFISMSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CC(C)C1 ZINC001057961207 773291240 /nfs/dbraw/zinc/29/12/40/773291240.db2.gz MSIDPFYPJWHYKX-GPANFISMSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@@H](C)C1CC1 ZINC001057962072 773293721 /nfs/dbraw/zinc/29/37/21/773293721.db2.gz GNBDIVXOCWRCDK-WBVHZDCISA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@@H](C)C1CC1 ZINC001057962072 773293723 /nfs/dbraw/zinc/29/37/23/773293723.db2.gz GNBDIVXOCWRCDK-WBVHZDCISA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001057962243 773294246 /nfs/dbraw/zinc/29/42/46/773294246.db2.gz NWRKEMHQBVDTCC-BBWFWOEESA-N 1 1 347.459 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001057962243 773294251 /nfs/dbraw/zinc/29/42/51/773294251.db2.gz NWRKEMHQBVDTCC-BBWFWOEESA-N 1 1 347.459 0.067 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(C)(C)C1CC1 ZINC001057962479 773295075 /nfs/dbraw/zinc/29/50/75/773295075.db2.gz XUYUYHIJIVDVRQ-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(C)(C)C1CC1 ZINC001057962479 773295080 /nfs/dbraw/zinc/29/50/80/773295080.db2.gz XUYUYHIJIVDVRQ-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057966800 773302436 /nfs/dbraw/zinc/30/24/36/773302436.db2.gz SJXPSQINFUNASD-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001057984042 773338601 /nfs/dbraw/zinc/33/86/01/773338601.db2.gz HVBVEKONGKRSSB-OAHLLOKOSA-N 1 1 346.431 0.215 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001057984042 773338610 /nfs/dbraw/zinc/33/86/10/773338610.db2.gz HVBVEKONGKRSSB-OAHLLOKOSA-N 1 1 346.431 0.215 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058073913 773478401 /nfs/dbraw/zinc/47/84/01/773478401.db2.gz FBNMUTIUBBGZRI-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001040612950 783101756 /nfs/dbraw/zinc/10/17/56/783101756.db2.gz HNQXOXZLVJZRJQ-QFBILLFUSA-N 1 1 349.475 0.744 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058157939 773659778 /nfs/dbraw/zinc/65/97/78/773659778.db2.gz LIGSHFPYWAQMCD-HNNXBMFYSA-N 1 1 339.480 0.868 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058167590 773683843 /nfs/dbraw/zinc/68/38/43/773683843.db2.gz GXNPNZTYMKBPRS-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ncccc3C#N)C2)C1 ZINC001058167590 773683848 /nfs/dbraw/zinc/68/38/48/773683848.db2.gz GXNPNZTYMKBPRS-HOTGVXAUSA-N 1 1 343.431 0.759 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058168185 773685183 /nfs/dbraw/zinc/68/51/83/773685183.db2.gz WTTZMPLWASXZMY-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001058168185 773685189 /nfs/dbraw/zinc/68/51/89/773685189.db2.gz WTTZMPLWASXZMY-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3nc(C)cc(C#N)n3)C2)C1 ZINC001058376847 774062158 /nfs/dbraw/zinc/06/21/58/774062158.db2.gz XOSMXVRZDXHKDS-ZFWWWQNUSA-N 1 1 344.419 0.072 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3nc(C)cc(C#N)n3)C2)C1 ZINC001058376847 774062162 /nfs/dbraw/zinc/06/21/62/774062162.db2.gz XOSMXVRZDXHKDS-ZFWWWQNUSA-N 1 1 344.419 0.072 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058381988 774069824 /nfs/dbraw/zinc/06/98/24/774069824.db2.gz ZWKLPJCIZBGCCP-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001039819594 783149506 /nfs/dbraw/zinc/14/95/06/783149506.db2.gz SXBUNLVXLFHEJZ-SFHVURJKSA-N 1 1 348.447 0.873 20 30 ECEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001058466102 774238783 /nfs/dbraw/zinc/23/87/83/774238783.db2.gz GHUNGWCVBBACTR-HUUCEWRRSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)C[N@@H+](C)C(C)C ZINC001058469104 774245869 /nfs/dbraw/zinc/24/58/69/774245869.db2.gz YZTXKXFNKVZQTQ-HNNXBMFYSA-N 1 1 327.469 0.866 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)no1 ZINC001058483912 774279208 /nfs/dbraw/zinc/27/92/08/774279208.db2.gz CBAPQPGTQQUDQV-LBPRGKRZSA-N 1 1 341.375 0.407 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnn(C)n3)C[C@H]2C)nc1 ZINC001044822928 774651064 /nfs/dbraw/zinc/65/10/64/774651064.db2.gz MUHLDRFMURYHNF-OCCSQVGLSA-N 1 1 339.403 0.369 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039857481 783198997 /nfs/dbraw/zinc/19/89/97/783198997.db2.gz ALCQDUCEECUJBV-IIDMSEBBSA-N 1 1 335.448 0.210 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2CCF)c[nH]1 ZINC001045002760 774821839 /nfs/dbraw/zinc/82/18/39/774821839.db2.gz WHUGXFFEHDCOHR-AWEZNQCLSA-N 1 1 345.382 0.842 20 30 ECEDMO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001045069118 774929124 /nfs/dbraw/zinc/92/91/24/774929124.db2.gz PEVBCGRKCQLUER-CABCVRRESA-N 1 1 337.464 0.763 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nonc3c2)[C@@H](n2ccnn2)C1 ZINC001070016465 790334690 /nfs/dbraw/zinc/33/46/90/790334690.db2.gz LTIOEAPOFVPNSY-CABCVRRESA-N 1 1 339.359 0.656 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3nonc3c2)[C@@H](n2ccnn2)C1 ZINC001070016465 790334700 /nfs/dbraw/zinc/33/47/00/790334700.db2.gz LTIOEAPOFVPNSY-CABCVRRESA-N 1 1 339.359 0.656 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc(C)[nH]2)nn1 ZINC001045234782 775194921 /nfs/dbraw/zinc/19/49/21/775194921.db2.gz CGXLVKPZROEHRK-ZDUSSCGKSA-N 1 1 344.423 0.675 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044007137 775497594 /nfs/dbraw/zinc/49/75/94/775497594.db2.gz GBFWMLAQAFRTBO-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001044011302 775508278 /nfs/dbraw/zinc/50/82/78/775508278.db2.gz MWCFMVPESZASTB-CQSZACIVSA-N 1 1 335.448 0.067 20 30 ECEDMO C=CCCn1cc(C(=O)NC2(C)CC[NH+](CC(=O)NC)CC2)nn1 ZINC001045580542 775829247 /nfs/dbraw/zinc/82/92/47/775829247.db2.gz FFRHFWKULGPAHS-UHFFFAOYSA-N 1 1 334.424 0.185 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](n2ccnn2)C1 ZINC001070033486 790398152 /nfs/dbraw/zinc/39/81/52/790398152.db2.gz ZESADNRBVIGNNZ-SUJAAXHWSA-N 1 1 329.404 0.210 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001045639936 775946173 /nfs/dbraw/zinc/94/61/73/775946173.db2.gz VPEUWJMTTLVBEG-HZPDHXFCSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001045639936 775946183 /nfs/dbraw/zinc/94/61/83/775946183.db2.gz VPEUWJMTTLVBEG-HZPDHXFCSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCOCC(=O)NCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001070041510 790425225 /nfs/dbraw/zinc/42/52/25/790425225.db2.gz HAHHMITWLKICPV-CQSZACIVSA-N 1 1 339.436 0.065 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001044405226 776281223 /nfs/dbraw/zinc/28/12/23/776281223.db2.gz UQHHWAVLNYGPCQ-UONOGXRCSA-N 1 1 337.464 0.476 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(COC)on2)[C@@H](n2ccnn2)C1 ZINC001070045623 790439250 /nfs/dbraw/zinc/43/92/50/790439250.db2.gz KSXZBYUMRLKJOV-CABCVRRESA-N 1 1 344.375 0.091 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(COC)on2)[C@@H](n2ccnn2)C1 ZINC001070045623 790439254 /nfs/dbraw/zinc/43/92/54/790439254.db2.gz KSXZBYUMRLKJOV-CABCVRRESA-N 1 1 344.375 0.091 20 30 ECEDMO C[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001044528144 776400641 /nfs/dbraw/zinc/40/06/41/776400641.db2.gz WWFLSCRHJVQPPO-CMPLNLGQSA-N 1 1 328.380 0.193 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001079618635 776535371 /nfs/dbraw/zinc/53/53/71/776535371.db2.gz GJECCKKLYZMBOI-IIAWOOMASA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001079618635 776535379 /nfs/dbraw/zinc/53/53/79/776535379.db2.gz GJECCKKLYZMBOI-IIAWOOMASA-N 1 1 345.447 0.740 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccn3ccnc23)[C@@H](n2ccnn2)C1 ZINC001070051840 790458088 /nfs/dbraw/zinc/45/80/88/790458088.db2.gz SGFHNIIUSGMKMB-CVEARBPZSA-N 1 1 349.398 0.604 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)[C@@H](n2ccnn2)C1 ZINC001070051872 790458157 /nfs/dbraw/zinc/45/81/57/790458157.db2.gz UZMBJGILPNMIEF-YVSFHVDLSA-N 1 1 343.431 0.624 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642705 776589410 /nfs/dbraw/zinc/58/94/10/776589410.db2.gz JJFJPNUQKMGVKC-KMUNFCNLSA-N 1 1 346.362 0.742 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642705 776589416 /nfs/dbraw/zinc/58/94/16/776589416.db2.gz JJFJPNUQKMGVKC-KMUNFCNLSA-N 1 1 346.362 0.742 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001079649736 776611880 /nfs/dbraw/zinc/61/18/80/776611880.db2.gz VJOWALRLJPFRTM-ZWNOBZJWSA-N 1 1 330.417 0.999 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001079649736 776611885 /nfs/dbraw/zinc/61/18/85/776611885.db2.gz VJOWALRLJPFRTM-ZWNOBZJWSA-N 1 1 330.417 0.999 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(C#N)cc3F)C[C@@H]2O)CC[N@H+]1C ZINC001044685045 776633969 /nfs/dbraw/zinc/63/39/69/776633969.db2.gz OUAGTIXGWRTIDX-LTZCYQRMSA-N 1 1 347.394 0.098 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001044703607 776665676 /nfs/dbraw/zinc/66/56/76/776665676.db2.gz KULUDQNNVHCBTK-PMPSAXMXSA-N 1 1 343.431 0.493 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001079690436 776693960 /nfs/dbraw/zinc/69/39/60/776693960.db2.gz VESXWZFKDKMGTI-KBXCAEBGSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079690567 776694423 /nfs/dbraw/zinc/69/44/23/776694423.db2.gz XZQSOTACDMWOFK-SIIHOXLZSA-N 1 1 337.464 0.713 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 ZINC001044725718 776702186 /nfs/dbraw/zinc/70/21/86/776702186.db2.gz NIYNOVQGQCKNDI-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001079719786 776761650 /nfs/dbraw/zinc/76/16/50/776761650.db2.gz BKNINNDCVDHURV-DDBAPUKQSA-N 1 1 333.476 0.803 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070061706 790481043 /nfs/dbraw/zinc/48/10/43/790481043.db2.gz SZQHODPLSJODBM-CABCVRRESA-N 1 1 329.408 0.644 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070061706 790481047 /nfs/dbraw/zinc/48/10/47/790481047.db2.gz SZQHODPLSJODBM-CABCVRRESA-N 1 1 329.408 0.644 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001079776887 776852169 /nfs/dbraw/zinc/85/21/69/776852169.db2.gz OFFZIDZFJLBXHV-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCn1cc(C(=O)N(CC)C2CN(C(=O)C[N@@H+](C)C(C)C)C2)nn1 ZINC001079801169 776898021 /nfs/dbraw/zinc/89/80/21/776898021.db2.gz LNVNUBRHDOZMBQ-UHFFFAOYSA-N 1 1 348.451 0.477 20 30 ECEDMO C=CCn1cc(C(=O)N(CC)C2CN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001079801984 776898922 /nfs/dbraw/zinc/89/89/22/776898922.db2.gz ZREBPZYGBJGLLO-UHFFFAOYSA-N 1 1 348.451 0.479 20 30 ECEDMO CCN(C(=O)Cn1cc[nH+]c1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001079805825 776908527 /nfs/dbraw/zinc/90/85/27/776908527.db2.gz GDBNQQAKPSCGAW-UHFFFAOYSA-N 1 1 340.387 0.764 20 30 ECEDMO C=CCCC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC001068532943 790495120 /nfs/dbraw/zinc/49/51/20/790495120.db2.gz ITAXVOWATOGEAF-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@H]1C ZINC001079878366 777012152 /nfs/dbraw/zinc/01/21/52/777012152.db2.gz VGVBMPNHTWESCB-KFWWJZLASA-N 1 1 345.447 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@H]1C ZINC001079878366 777012155 /nfs/dbraw/zinc/01/21/55/777012155.db2.gz VGVBMPNHTWESCB-KFWWJZLASA-N 1 1 345.447 0.666 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079930666 777105654 /nfs/dbraw/zinc/10/56/54/777105654.db2.gz XQABWEIGGAFMOX-KRWDZBQOSA-N 1 1 325.453 0.713 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001080062052 777322266 /nfs/dbraw/zinc/32/22/66/777322266.db2.gz YJRPZAUPRHCLIF-GDBMZVCRSA-N 1 1 332.448 0.835 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001080062052 777322271 /nfs/dbraw/zinc/32/22/71/777322271.db2.gz YJRPZAUPRHCLIF-GDBMZVCRSA-N 1 1 332.448 0.835 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3sccn3c2=O)C1 ZINC001080072536 777337613 /nfs/dbraw/zinc/33/76/13/777337613.db2.gz HTIQDVCJMDTIKG-DGCLKSJQSA-N 1 1 330.413 0.829 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=C)C)C[C@@H]2n2ccnn2)cn1 ZINC001070080441 790534178 /nfs/dbraw/zinc/53/41/78/790534178.db2.gz FCFWGIRCQDTFEJ-SJORKVTESA-N 1 1 336.399 0.886 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=C)C)C[C@@H]2n2ccnn2)cn1 ZINC001070080441 790534186 /nfs/dbraw/zinc/53/41/86/790534186.db2.gz FCFWGIRCQDTFEJ-SJORKVTESA-N 1 1 336.399 0.886 20 30 ECEDMO CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CSCC#N)C1 ZINC001080138519 777444165 /nfs/dbraw/zinc/44/41/65/777444165.db2.gz JGHHWTQGALRIJH-ZDUSSCGKSA-N 1 1 338.477 0.644 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001080192563 777531908 /nfs/dbraw/zinc/53/19/08/777531908.db2.gz SUHAPJWHDVWNBZ-QGZVFWFLSA-N 1 1 325.453 0.715 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001080192805 777532986 /nfs/dbraw/zinc/53/29/86/777532986.db2.gz YOVTUWCVFSIPSF-CVEARBPZSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001080198071 777539924 /nfs/dbraw/zinc/53/99/24/777539924.db2.gz XAZDHUQJGSEPQE-MCIONIFRSA-N 1 1 331.407 0.965 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001080233466 777587750 /nfs/dbraw/zinc/58/77/50/777587750.db2.gz IVTCHSAMFPRARQ-KCPJHIHWSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001080233466 777587756 /nfs/dbraw/zinc/58/77/56/777587756.db2.gz IVTCHSAMFPRARQ-KCPJHIHWSA-N 1 1 331.420 0.555 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080259944 777620793 /nfs/dbraw/zinc/62/07/93/777620793.db2.gz NXZNTHQOEWHBOK-KBRIMQKVSA-N 1 1 343.402 0.750 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080259944 777620797 /nfs/dbraw/zinc/62/07/97/777620797.db2.gz NXZNTHQOEWHBOK-KBRIMQKVSA-N 1 1 343.402 0.750 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080264093 777626955 /nfs/dbraw/zinc/62/69/55/777626955.db2.gz YROZFDDNEKPHAR-DAXOMENPSA-N 1 1 341.415 0.518 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001070089148 790565487 /nfs/dbraw/zinc/56/54/87/790565487.db2.gz ZGWXKGXFJLHIQG-ZBFHGGJFSA-N 1 1 349.398 0.604 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001070089148 790565495 /nfs/dbraw/zinc/56/54/95/790565495.db2.gz ZGWXKGXFJLHIQG-ZBFHGGJFSA-N 1 1 349.398 0.604 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080413418 777814836 /nfs/dbraw/zinc/81/48/36/777814836.db2.gz XYIPWYPUEZZJJQ-GRXFCQPSSA-N 1 1 346.431 0.069 20 30 ECEDMO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001080417151 777822650 /nfs/dbraw/zinc/82/26/50/777822650.db2.gz XDCGITNBIVDYBC-OCCSQVGLSA-N 1 1 329.404 0.979 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001043185075 777906168 /nfs/dbraw/zinc/90/61/68/777906168.db2.gz DBCSMRNTXKMGAI-UHFFFAOYSA-N 1 1 337.464 0.786 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001043201272 777944182 /nfs/dbraw/zinc/94/41/82/777944182.db2.gz ZWCXYJKGJUEDEU-HNNXBMFYSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001043201272 777944188 /nfs/dbraw/zinc/94/41/88/777944188.db2.gz ZWCXYJKGJUEDEU-HNNXBMFYSA-N 1 1 349.475 0.456 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001080555867 778015521 /nfs/dbraw/zinc/01/55/21/778015521.db2.gz QJJJSXJTILNCOY-BMFZPTHFSA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC)n3)C2)C1=O ZINC001080555867 778015529 /nfs/dbraw/zinc/01/55/29/778015529.db2.gz QJJJSXJTILNCOY-BMFZPTHFSA-N 1 1 345.447 0.740 20 30 ECEDMO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043250747 778047919 /nfs/dbraw/zinc/04/79/19/778047919.db2.gz HLZKTCMVCCJMKY-MGPQQGTHSA-N 1 1 328.420 0.371 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)nn1 ZINC001080584563 778091006 /nfs/dbraw/zinc/09/10/06/778091006.db2.gz DEXVCNPPDSHLOT-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)nn1 ZINC001080584563 778091011 /nfs/dbraw/zinc/09/10/11/778091011.db2.gz DEXVCNPPDSHLOT-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001043416215 778293376 /nfs/dbraw/zinc/29/33/76/778293376.db2.gz VBZOIAHVTNGMTG-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001043435968 778330964 /nfs/dbraw/zinc/33/09/64/778330964.db2.gz OTLDOKLLGVCPKG-ZFWWWQNUSA-N 1 1 344.415 0.138 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1Nc1ccncc1C#N ZINC001043515926 778447974 /nfs/dbraw/zinc/44/79/74/778447974.db2.gz ALSXRFBPZMICGO-JJRVBVJISA-N 1 1 327.432 0.976 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043771784 778846355 /nfs/dbraw/zinc/84/63/55/778846355.db2.gz YYBRHTHKLIXFRD-RHSMWYFYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070116138 790658934 /nfs/dbraw/zinc/65/89/34/790658934.db2.gz PBFJWJOHCJBVOG-ZNMIVQPWSA-N 1 1 331.420 0.622 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070116138 790658942 /nfs/dbraw/zinc/65/89/42/790658942.db2.gz PBFJWJOHCJBVOG-ZNMIVQPWSA-N 1 1 331.420 0.622 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 ZINC001070123447 790690668 /nfs/dbraw/zinc/69/06/68/790690668.db2.gz OHHXWYAFBHARNO-GFCCVEGCSA-N 1 1 333.392 0.133 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 ZINC001068615739 790716141 /nfs/dbraw/zinc/71/61/41/790716141.db2.gz XVASJKOWKPJTBB-DZKIICNBSA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 ZINC001068615739 790716148 /nfs/dbraw/zinc/71/61/48/790716148.db2.gz XVASJKOWKPJTBB-DZKIICNBSA-N 1 1 338.415 0.753 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001068620628 790730408 /nfs/dbraw/zinc/73/04/08/790730408.db2.gz PEHXWNWGPJTTHO-UONOGXRCSA-N 1 1 336.436 0.364 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@@H]21 ZINC001042270168 779949489 /nfs/dbraw/zinc/94/94/89/779949489.db2.gz MRZWCWBDTPPHDI-KGLIPLIRSA-N 1 1 332.404 0.036 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 ZINC001042302439 780024051 /nfs/dbraw/zinc/02/40/51/780024051.db2.gz SOUIJNQHFWKSNK-ZIAGYGMSSA-N 1 1 334.420 0.427 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnon3)C2)nc1 ZINC001078500455 780026909 /nfs/dbraw/zinc/02/69/09/780026909.db2.gz NXUSNSDSBSINBK-HNNXBMFYSA-N 1 1 341.371 0.467 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001042344714 780108252 /nfs/dbraw/zinc/10/82/52/780108252.db2.gz ADIJHJTULBQTOJ-RYUDHWBXSA-N 1 1 340.811 0.214 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001042344714 780108255 /nfs/dbraw/zinc/10/82/55/780108255.db2.gz ADIJHJTULBQTOJ-RYUDHWBXSA-N 1 1 340.811 0.214 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 ZINC001042345451 780109275 /nfs/dbraw/zinc/10/92/75/780109275.db2.gz LMDJIRNIYABRAK-ZIAGYGMSSA-N 1 1 334.420 0.379 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(-n4cnnn4)c3)C[C@H]21 ZINC001042348259 780114167 /nfs/dbraw/zinc/11/41/67/780114167.db2.gz HQJLMYXUTJBBLJ-WMLDXEAASA-N 1 1 336.399 0.832 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001042348958 780116815 /nfs/dbraw/zinc/11/68/15/780116815.db2.gz MUZQMURLADHZIA-STQMWFEESA-N 1 1 329.404 0.688 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(-n4cncn4)c3)C[C@@H]21 ZINC001042384136 780184517 /nfs/dbraw/zinc/18/45/17/780184517.db2.gz JENAXRNJSXTZIY-ZBFHGGJFSA-N 1 1 336.399 0.832 20 30 ECEDMO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001042501889 780359010 /nfs/dbraw/zinc/35/90/10/780359010.db2.gz AOOPHAZGZANVMZ-GZBFAFLISA-N 1 1 328.420 0.631 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001042663902 780607098 /nfs/dbraw/zinc/60/70/98/780607098.db2.gz IZTBKAYVVVUJHG-CABCVRRESA-N 1 1 335.448 0.067 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001078964669 780659980 /nfs/dbraw/zinc/65/99/80/780659980.db2.gz UCHDEIBKMLZOIZ-JKSUJKDBSA-N 1 1 337.464 0.980 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001079343493 781008110 /nfs/dbraw/zinc/00/81/10/781008110.db2.gz JFVYSHSWCGCAJN-UHFFFAOYSA-N 1 1 338.477 0.787 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001079380526 781051460 /nfs/dbraw/zinc/05/14/60/781051460.db2.gz RGFBMQVCMVBKHO-WQVCFCJDSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001079380526 781051465 /nfs/dbraw/zinc/05/14/65/781051465.db2.gz RGFBMQVCMVBKHO-WQVCFCJDSA-N 1 1 343.431 0.622 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042939577 781070419 /nfs/dbraw/zinc/07/04/19/781070419.db2.gz CABLAYRXAGLLBR-OAHLLOKOSA-N 1 1 335.448 0.208 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001042943529 781077935 /nfs/dbraw/zinc/07/79/35/781077935.db2.gz SCERAQHYJKNJFU-INIZCTEOSA-N 1 1 349.475 0.456 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 ZINC001042960842 781103267 /nfs/dbraw/zinc/10/32/67/781103267.db2.gz OSYHKEWKOAUYPC-INIZCTEOSA-N 1 1 347.459 0.067 20 30 ECEDMO CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042977193 781127535 /nfs/dbraw/zinc/12/75/35/781127535.db2.gz GZBXEBIYYIVZBH-NWANDNLSSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnn3C)C2)C1=O ZINC001079482704 781167861 /nfs/dbraw/zinc/16/78/61/781167861.db2.gz IIUNKGZMDQILFW-UMVBOHGHSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnn3C)C2)C1=O ZINC001079482704 781167867 /nfs/dbraw/zinc/16/78/67/781167867.db2.gz IIUNKGZMDQILFW-UMVBOHGHSA-N 1 1 331.420 0.257 20 30 ECEDMO CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001043016159 781186146 /nfs/dbraw/zinc/18/61/46/781186146.db2.gz HDXVCRHXCWXVKX-RBSFLKMASA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043060882 781258134 /nfs/dbraw/zinc/25/81/34/781258134.db2.gz XDTFPKYCMQNPOL-HUUCEWRRSA-N 1 1 335.448 0.517 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043068874 781270163 /nfs/dbraw/zinc/27/01/63/781270163.db2.gz RMRPIIUKZFYIRC-ZIAGYGMSSA-N 1 1 337.464 0.618 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079601060 781307097 /nfs/dbraw/zinc/30/70/97/781307097.db2.gz GPMACLNWWCNBGA-DVOMOZLQSA-N 1 1 343.431 0.853 20 30 ECEDMO CN(c1nccnc1C#N)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001068678954 790879336 /nfs/dbraw/zinc/87/93/36/790879336.db2.gz HFCWGUJGDSNMKJ-ZDUSSCGKSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CC[N@H+](C)CCC ZINC001077658380 781443011 /nfs/dbraw/zinc/44/30/11/781443011.db2.gz WYIVYOUEOVXIPU-LSDHHAIUSA-N 1 1 325.453 0.768 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O ZINC001041403420 781443084 /nfs/dbraw/zinc/44/30/84/781443084.db2.gz KULUDQNNVHCBTK-OWCLPIDISA-N 1 1 343.431 0.493 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3coc(S(N)(=O)=O)c3)C2)C1 ZINC001041416413 781462439 /nfs/dbraw/zinc/46/24/39/781462439.db2.gz XGJJHEXWNFYHSE-OAHLLOKOSA-N 1 1 339.417 0.651 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O ZINC001041429430 781488746 /nfs/dbraw/zinc/48/87/46/781488746.db2.gz FUKRODDQNZHQIA-DJIMGWMZSA-N 1 1 346.406 0.847 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O ZINC001041429107 781488955 /nfs/dbraw/zinc/48/89/55/781488955.db2.gz BEYOWXHPRHCFAK-RBSFLKMASA-N 1 1 329.404 0.103 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001077682666 781503432 /nfs/dbraw/zinc/50/34/32/781503432.db2.gz DWNNHUILKSHSNW-DJIMGWMZSA-N 1 1 332.448 0.881 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077698877 781538782 /nfs/dbraw/zinc/53/87/82/781538782.db2.gz DQBLDXCNZXJXKK-SYQHCUMBSA-N 1 1 330.375 0.784 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC001041499726 781636911 /nfs/dbraw/zinc/63/69/11/781636911.db2.gz YXESOEXZOJDCPY-YJBOKZPZSA-N 1 1 343.431 0.866 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(-n4cnnn4)cn3)C2)C1 ZINC001041507549 781657014 /nfs/dbraw/zinc/65/70/14/781657014.db2.gz YFDXZTAYGUWJGC-KRWDZBQOSA-N 1 1 337.387 0.229 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2O)cc1 ZINC001077795633 781710184 /nfs/dbraw/zinc/71/01/84/781710184.db2.gz QATWDTNUJXIDQL-IAOVAPTHSA-N 1 1 332.400 0.508 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC001041604854 781837679 /nfs/dbraw/zinc/83/76/79/781837679.db2.gz HJALHIUAUFFGJK-SFHVURJKSA-N 1 1 329.400 0.869 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001040760590 783379972 /nfs/dbraw/zinc/37/99/72/783379972.db2.gz OTUFMNVKNBZWCB-GUYCJALGSA-N 1 1 338.452 0.204 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001040767218 783395542 /nfs/dbraw/zinc/39/55/42/783395542.db2.gz WUPZMAHOZNEUBC-GUYCJALGSA-N 1 1 347.419 0.246 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C[C@@H](C)O)CC1 ZINC001040014061 783408056 /nfs/dbraw/zinc/40/80/56/783408056.db2.gz DECBDWABTANNJK-NXHRZFHOSA-N 1 1 333.476 0.778 20 30 ECEDMO N#CCN1CCC2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001040779110 783423950 /nfs/dbraw/zinc/42/39/50/783423950.db2.gz ANZLUXDLGPRQGU-KOHRHEQBSA-N 1 1 344.459 0.688 20 30 ECEDMO C#CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001040059004 783460364 /nfs/dbraw/zinc/46/03/64/783460364.db2.gz DPDHTTFKEDLBCP-BEFAXECRSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1n1ccnn1 ZINC001070182060 783607351 /nfs/dbraw/zinc/60/73/51/783607351.db2.gz RBZCYSDWIUABLX-OLZOCXBDSA-N 1 1 333.783 0.476 20 30 ECEDMO Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 ZINC001070192763 783626534 /nfs/dbraw/zinc/62/65/34/783626534.db2.gz NTVFHYRCHDYMJT-CVEARBPZSA-N 1 1 340.387 0.530 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070203828 783650693 /nfs/dbraw/zinc/65/06/93/783650693.db2.gz JRHIAKBTAPOMTP-INIZCTEOSA-N 1 1 347.459 0.666 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC001070233127 783709579 /nfs/dbraw/zinc/70/95/79/783709579.db2.gz ZXCKOEMMOZAXON-UONOGXRCSA-N 1 1 336.436 0.269 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC001070254519 783750065 /nfs/dbraw/zinc/75/00/65/783750065.db2.gz NELLZXIXMNZWGI-INIZCTEOSA-N 1 1 349.475 0.769 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001070254756 783752355 /nfs/dbraw/zinc/75/23/55/783752355.db2.gz WIJPIAIJULCBEU-ZIAGYGMSSA-N 1 1 336.436 0.269 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H]2CCNC(=O)CC2)[nH]1 ZINC001038173234 783948260 /nfs/dbraw/zinc/94/82/60/783948260.db2.gz NDDOKTSTTLHPRI-OCCSQVGLSA-N 1 1 329.404 0.607 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COCCO2)C1 ZINC001070397482 783960847 /nfs/dbraw/zinc/96/08/47/783960847.db2.gz CLXWGMNGTAYTRL-DZGCQCFKSA-N 1 1 334.420 0.807 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCO2)C1 ZINC001070397483 783961113 /nfs/dbraw/zinc/96/11/13/783961113.db2.gz CLXWGMNGTAYTRL-HIFRSBDPSA-N 1 1 334.420 0.807 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001070403048 783977793 /nfs/dbraw/zinc/97/77/93/783977793.db2.gz JDPFMMCSLCGUNW-KGLIPLIRSA-N 1 1 345.447 0.918 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2C)C1 ZINC001070404542 783982163 /nfs/dbraw/zinc/98/21/63/783982163.db2.gz IMQWRYRIWJVXPK-HOCLYGCPSA-N 1 1 347.463 0.722 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(CC)n2)C1 ZINC001070407312 783990820 /nfs/dbraw/zinc/99/08/20/783990820.db2.gz BVVVXIZAHYONDG-CYBMUJFWSA-N 1 1 341.419 0.764 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001070407390 783990944 /nfs/dbraw/zinc/99/09/44/783990944.db2.gz FFYZKKKTKOZAGX-GXTWGEPZSA-N 1 1 347.419 0.890 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)nn2)C1 ZINC001070408484 783994035 /nfs/dbraw/zinc/99/40/35/783994035.db2.gz TXRSGECXVWFUGF-LBPRGKRZSA-N 1 1 329.408 0.834 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCCN2C)C1 ZINC001070414280 784012210 /nfs/dbraw/zinc/01/22/10/784012210.db2.gz JBYOTTAUVNWNNG-HOCLYGCPSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCCN2C)C1 ZINC001070414280 784012216 /nfs/dbraw/zinc/01/22/16/784012216.db2.gz JBYOTTAUVNWNNG-HOCLYGCPSA-N 1 1 329.448 0.933 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001070419870 784026665 /nfs/dbraw/zinc/02/66/65/784026665.db2.gz KLCYYDCYFQJBCH-DZGCQCFKSA-N 1 1 343.431 0.459 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(C)n2)C1 ZINC001070430770 784050237 /nfs/dbraw/zinc/05/02/37/784050237.db2.gz BJLRJGQNQHJNTB-LBPRGKRZSA-N 1 1 327.392 0.281 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccn(C)n2)C1 ZINC001070433815 784059492 /nfs/dbraw/zinc/05/94/92/784059492.db2.gz FEIXYEMJGXDYRO-CYBMUJFWSA-N 1 1 326.404 0.886 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001070434119 784061288 /nfs/dbraw/zinc/06/12/88/784061288.db2.gz MUIJMSQSJFTNCJ-HOCLYGCPSA-N 1 1 347.463 0.722 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)OC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442172 784083921 /nfs/dbraw/zinc/08/39/21/784083921.db2.gz DEFHWDRIQHVTOO-ZIAGYGMSSA-N 1 1 333.436 0.952 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)Cc1ccon1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070443056 784089382 /nfs/dbraw/zinc/08/93/82/784089382.db2.gz WFDPVESENAIEBI-CQSZACIVSA-N 1 1 342.403 0.758 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1nc[nH]n1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070450351 784108555 /nfs/dbraw/zinc/10/85/55/784108555.db2.gz BWSJRTCZBKECKY-GFCCVEGCSA-N 1 1 342.407 0.349 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@@H](C)OC)C1 ZINC001070921875 784119921 /nfs/dbraw/zinc/11/99/21/784119921.db2.gz RHJWCNHHMOTIIQ-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[C@@H](C)OC)C1 ZINC001070921875 784119922 /nfs/dbraw/zinc/11/99/22/784119922.db2.gz RHJWCNHHMOTIIQ-OAGGEKHMSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)n2cccn2)CC1 ZINC001070940474 784170651 /nfs/dbraw/zinc/17/06/51/784170651.db2.gz IEVCBXMPYJMHJW-HNNXBMFYSA-N 1 1 331.420 0.118 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)n2cccn2)CC1 ZINC001070940474 784170656 /nfs/dbraw/zinc/17/06/56/784170656.db2.gz IEVCBXMPYJMHJW-HNNXBMFYSA-N 1 1 331.420 0.118 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cc(C)on2)CC1 ZINC001070949387 784199305 /nfs/dbraw/zinc/19/93/05/784199305.db2.gz BGYHGNRXZDNOQC-UHFFFAOYSA-N 1 1 332.404 0.199 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cc(C)on2)CC1 ZINC001070949387 784199306 /nfs/dbraw/zinc/19/93/06/784199306.db2.gz BGYHGNRXZDNOQC-UHFFFAOYSA-N 1 1 332.404 0.199 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001070954319 784214463 /nfs/dbraw/zinc/21/44/63/784214463.db2.gz XKFCLUPWCGCKCH-UHFFFAOYSA-N 1 1 330.388 0.075 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001070954319 784214469 /nfs/dbraw/zinc/21/44/69/784214469.db2.gz XKFCLUPWCGCKCH-UHFFFAOYSA-N 1 1 330.388 0.075 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC001070956704 784223258 /nfs/dbraw/zinc/22/32/58/784223258.db2.gz YYDNKTSRXMWWME-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC001070956704 784223267 /nfs/dbraw/zinc/22/32/67/784223267.db2.gz YYDNKTSRXMWWME-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001070968013 784258647 /nfs/dbraw/zinc/25/86/47/784258647.db2.gz JGGZTMVCYTZWCL-INIZCTEOSA-N 1 1 336.480 0.697 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001070969476 784265192 /nfs/dbraw/zinc/26/51/92/784265192.db2.gz STVNKSDKHYXUTL-SJLPKXTDSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001070969476 784265200 /nfs/dbraw/zinc/26/52/00/784265200.db2.gz STVNKSDKHYXUTL-SJLPKXTDSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001070554287 784265631 /nfs/dbraw/zinc/26/56/31/784265631.db2.gz OAFVJBFGCOJGCZ-CABCVRRESA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001070554287 784265634 /nfs/dbraw/zinc/26/56/34/784265634.db2.gz OAFVJBFGCOJGCZ-CABCVRRESA-N 1 1 339.436 0.017 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2[nH]c(=O)[nH]c2C)CC1 ZINC001070972987 784280882 /nfs/dbraw/zinc/28/08/82/784280882.db2.gz XDVKIORLJJEYBM-UHFFFAOYSA-N 1 1 349.435 0.654 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC001070987193 784331546 /nfs/dbraw/zinc/33/15/46/784331546.db2.gz VGDDIFTXXISMDZ-UHFFFAOYSA-N 1 1 338.433 0.689 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C)c(=O)[nH]2)CC1 ZINC001070995075 784352652 /nfs/dbraw/zinc/35/26/52/784352652.db2.gz QKUJCTXGAVDMMP-UHFFFAOYSA-N 1 1 349.435 0.356 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC001070996479 784356650 /nfs/dbraw/zinc/35/66/50/784356650.db2.gz UEHDDWFDDATHJW-HZPDHXFCSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001071000083 784371107 /nfs/dbraw/zinc/37/11/07/784371107.db2.gz MXRGDKDZZURUJZ-HZPDHXFCSA-N 1 1 336.480 0.411 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001071000083 784371115 /nfs/dbraw/zinc/37/11/15/784371115.db2.gz MXRGDKDZZURUJZ-HZPDHXFCSA-N 1 1 336.480 0.411 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2[nH]c(C)nc2C)CC1 ZINC001071000332 784373375 /nfs/dbraw/zinc/37/33/75/784373375.db2.gz YDWSJSBAZYGCGZ-UHFFFAOYSA-N 1 1 333.436 0.867 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2[nH]c(C)nc2C)CC1 ZINC001071000332 784373384 /nfs/dbraw/zinc/37/33/84/784373384.db2.gz YDWSJSBAZYGCGZ-UHFFFAOYSA-N 1 1 333.436 0.867 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCCO2)n1 ZINC001070594646 784403142 /nfs/dbraw/zinc/40/31/42/784403142.db2.gz IALUVOSLDPUMJQ-KKUMJFAQSA-N 1 1 332.404 0.723 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001070599282 784412072 /nfs/dbraw/zinc/41/20/72/784412072.db2.gz RDQFIPWWMWOFLH-IHRRRGAJSA-N 1 1 347.419 0.376 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@]2(C)CCOC2)n1 ZINC001070599338 784413302 /nfs/dbraw/zinc/41/33/02/784413302.db2.gz VKCOSXGCOJEIRI-RLFYNMQTSA-N 1 1 346.431 0.971 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC001071014290 784416441 /nfs/dbraw/zinc/41/64/41/784416441.db2.gz HMNSRLGVOGPWQX-CRAIPNDOSA-N 1 1 335.448 0.640 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCC(=O)N2)n1 ZINC001070601710 784417793 /nfs/dbraw/zinc/41/77/93/784417793.db2.gz RDQFIPWWMWOFLH-BFHYXJOUSA-N 1 1 347.419 0.376 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cncn2C)CC1 ZINC001071015891 784423843 /nfs/dbraw/zinc/42/38/43/784423843.db2.gz ZCENPWGTMISWGS-UHFFFAOYSA-N 1 1 333.436 0.189 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cncn2C)CC1 ZINC001071015891 784423844 /nfs/dbraw/zinc/42/38/44/784423844.db2.gz ZCENPWGTMISWGS-UHFFFAOYSA-N 1 1 333.436 0.189 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cncn2C)CC1 ZINC001071018466 784432862 /nfs/dbraw/zinc/43/28/62/784432862.db2.gz TZYLISVAOCXVIB-UHFFFAOYSA-N 1 1 345.447 0.027 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cncn2C)CC1 ZINC001071018466 784432867 /nfs/dbraw/zinc/43/28/67/784432867.db2.gz TZYLISVAOCXVIB-UHFFFAOYSA-N 1 1 345.447 0.027 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001070673036 784530607 /nfs/dbraw/zinc/53/06/07/784530607.db2.gz VXQYERCVCWGBDW-RHSMWYFYSA-N 1 1 334.420 0.626 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)C[C@H](C)O2 ZINC001071129834 784571942 /nfs/dbraw/zinc/57/19/42/784571942.db2.gz RNYWYZLVRKOPMS-YJBOKZPZSA-N 1 1 329.400 0.649 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cncn1)C[C@H](C)O2 ZINC001071136191 784582077 /nfs/dbraw/zinc/58/20/77/784582077.db2.gz FZXZCKXLSVFVSO-RDJZCZTQSA-N 1 1 333.436 0.936 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nccnc1N)C[C@H](C)O2 ZINC001071146303 784600886 /nfs/dbraw/zinc/60/08/86/784600886.db2.gz JNLAVUJAUYPHOT-GUYCJALGSA-N 1 1 329.404 0.388 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)C[C@@H](C)O2 ZINC001071160164 784628977 /nfs/dbraw/zinc/62/89/77/784628977.db2.gz YXQINFXLMJLPEM-WBVHZDCISA-N 1 1 333.436 0.936 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@H](C)O2 ZINC001071168676 784646827 /nfs/dbraw/zinc/64/68/27/784646827.db2.gz GBOJGOHXXZKVBG-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cccn3nnnc13)C[C@@H](C)O2 ZINC001071171997 784655205 /nfs/dbraw/zinc/65/52/05/784655205.db2.gz VTNLOGJKUVQOQP-DYVFJYSZSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccn3nnnc13)C[C@@H](C)O2 ZINC001071171997 784655208 /nfs/dbraw/zinc/65/52/08/784655208.db2.gz VTNLOGJKUVQOQP-DYVFJYSZSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(C)nc1OC)C[C@@H](C)O2 ZINC001071173439 784658993 /nfs/dbraw/zinc/65/89/93/784658993.db2.gz INODZZHRPSPFDI-ACJLOTCBSA-N 1 1 344.415 0.732 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(C)nc1OC)C[C@@H](C)O2 ZINC001071173439 784658998 /nfs/dbraw/zinc/65/89/98/784658998.db2.gz INODZZHRPSPFDI-ACJLOTCBSA-N 1 1 344.415 0.732 20 30 ECEDMO C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@]2(CCN(CC#N)C2)O1 ZINC001071183566 784684128 /nfs/dbraw/zinc/68/41/28/784684128.db2.gz QBVVMRXVDLEBBG-GUYCJALGSA-N 1 1 347.419 0.565 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)C[C@@H](C)O2 ZINC001071188751 784692713 /nfs/dbraw/zinc/69/27/13/784692713.db2.gz AQEIWFNTFKEAKR-CXAGYDPISA-N 1 1 334.420 0.920 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nc(C)cc1C)C[C@@H](C)O2 ZINC001071189389 784694566 /nfs/dbraw/zinc/69/45/66/784694566.db2.gz KPJDEWYDCHMKQS-SJLPKXTDSA-N 1 1 330.432 0.825 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccnc1)C[C@H](C)O2 ZINC001071194438 784709356 /nfs/dbraw/zinc/70/93/56/784709356.db2.gz JGZZDCLEUPPQGC-FUHWJXTLSA-N 1 1 330.432 0.988 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 ZINC001071196813 784714186 /nfs/dbraw/zinc/71/41/86/784714186.db2.gz IRXRNCSNOILQJM-XJKSGUPXSA-N 1 1 334.424 0.482 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@@H](C)O2 ZINC001071202751 784726414 /nfs/dbraw/zinc/72/64/14/784726414.db2.gz ZJBJWJAXCHDBEU-ACJLOTCBSA-N 1 1 344.415 0.819 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ncn(C(C)(C)C)n1)C[C@H](C)O2 ZINC001071214033 784752229 /nfs/dbraw/zinc/75/22/29/784752229.db2.gz OBUXHTISQCWKIV-KBXCAEBGSA-N 1 1 345.447 0.972 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ncn(C(C)(C)C)n1)C[C@H](C)O2 ZINC001071214033 784752231 /nfs/dbraw/zinc/75/22/31/784752231.db2.gz OBUXHTISQCWKIV-KBXCAEBGSA-N 1 1 345.447 0.972 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CCCO)C3)C2)nn1 ZINC001071215666 784754681 /nfs/dbraw/zinc/75/46/81/784754681.db2.gz FOMMMAZVEBURPP-PBHICJAKSA-N 1 1 349.435 0.152 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccc(C)cc1=O)C[C@@H](C)O2 ZINC001071216098 784755967 /nfs/dbraw/zinc/75/59/67/784755967.db2.gz LZQWCNGVBPOBLW-APWZRJJASA-N 1 1 343.427 0.482 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1nccc1C)C[C@@H](C)O2 ZINC001071216486 784756701 /nfs/dbraw/zinc/75/67/01/784756701.db2.gz RCBVABGOCWCTNU-AEFFLSMTSA-N 1 1 330.432 0.907 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1cncn1C)C[C@H](C)O2 ZINC001071226094 784784687 /nfs/dbraw/zinc/78/46/87/784784687.db2.gz UZDUMTDLHHVMSF-YJBOKZPZSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nonc1C)C[C@@H](C)O2 ZINC001071227454 784786780 /nfs/dbraw/zinc/78/67/80/784786780.db2.gz FYCTZNBFMWOIOB-CXAGYDPISA-N 1 1 332.404 0.636 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1conc1COC)C[C@H](C)O2 ZINC001071228708 784788971 /nfs/dbraw/zinc/78/89/71/784788971.db2.gz YSRGXOIURINEHR-GUYCJALGSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1conc1COC)C[C@H](C)O2 ZINC001071228708 784788976 /nfs/dbraw/zinc/78/89/76/784788976.db2.gz YSRGXOIURINEHR-GUYCJALGSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@@H](C)O2 ZINC001071244566 784824141 /nfs/dbraw/zinc/82/41/41/784824141.db2.gz WZVDBMJFOAYYPQ-APWZRJJASA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)C[C@H](C)O2 ZINC001071246594 784828730 /nfs/dbraw/zinc/82/87/30/784828730.db2.gz XXVOAGYLSIIXFO-SCLBCKFNSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)C[C@H](C)O2 ZINC001071246594 784828733 /nfs/dbraw/zinc/82/87/33/784828733.db2.gz XXVOAGYLSIIXFO-SCLBCKFNSA-N 1 1 342.399 0.119 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)C3=COCCO3)C2)C(=O)C1 ZINC001071253130 784843288 /nfs/dbraw/zinc/84/32/88/784843288.db2.gz HLERKBIPPFKKDB-HNNXBMFYSA-N 1 1 349.431 0.586 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)C3=COCCO3)C2)C(=O)C1 ZINC001071253130 784843295 /nfs/dbraw/zinc/84/32/95/784843295.db2.gz HLERKBIPPFKKDB-HNNXBMFYSA-N 1 1 349.431 0.586 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ncn(C)n3)C2)C(=O)C1 ZINC001071264206 784883801 /nfs/dbraw/zinc/88/38/01/784883801.db2.gz QFSXCGPVWARHIJ-CQSZACIVSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ncn(C)n3)C2)C(=O)C1 ZINC001071264206 784883811 /nfs/dbraw/zinc/88/38/11/784883811.db2.gz QFSXCGPVWARHIJ-CQSZACIVSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C(=O)C1 ZINC001071267660 784894338 /nfs/dbraw/zinc/89/43/38/784894338.db2.gz NSIINRYIFLGSJT-INIZCTEOSA-N 1 1 345.447 0.513 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1Cc1ccccc1C#N ZINC001071339790 784976227 /nfs/dbraw/zinc/97/62/27/784976227.db2.gz FDLIQKQCCZHIPT-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1ccccc1C#N ZINC001071339790 784976233 /nfs/dbraw/zinc/97/62/33/784976233.db2.gz FDLIQKQCCZHIPT-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071340546 784978885 /nfs/dbraw/zinc/97/88/85/784978885.db2.gz QICSMDGFUHXNPG-NWDGAFQWSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071340546 784978889 /nfs/dbraw/zinc/97/88/89/784978889.db2.gz QICSMDGFUHXNPG-NWDGAFQWSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071437403 785086167 /nfs/dbraw/zinc/08/61/67/785086167.db2.gz GIYBWIGZABYKIP-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CC(=O)NC1CC1 ZINC001071437403 785086176 /nfs/dbraw/zinc/08/61/76/785086176.db2.gz GIYBWIGZABYKIP-BXUZGUMPSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCn3cncn3)C2)nn1 ZINC001071883165 785268556 /nfs/dbraw/zinc/26/85/56/785268556.db2.gz HBRHHPKCRSJUBM-UONOGXRCSA-N 1 1 344.423 0.339 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1C ZINC001071548576 785283663 /nfs/dbraw/zinc/28/36/63/785283663.db2.gz HWWUPXJWBBLMGX-GJZGRUSLSA-N 1 1 348.447 0.482 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)CC[C@H]1C ZINC001071561839 785308127 /nfs/dbraw/zinc/30/81/27/785308127.db2.gz WFTNWNHYFWTQHS-NEPJUHHUSA-N 1 1 327.388 0.890 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001071918592 785331722 /nfs/dbraw/zinc/33/17/22/785331722.db2.gz QGCSEOGLTXJRCQ-IUODEOHRSA-N 1 1 331.420 0.805 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001071918844 785333094 /nfs/dbraw/zinc/33/30/94/785333094.db2.gz TYDAOUHYDZIUPY-IUODEOHRSA-N 1 1 331.420 0.805 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC[C@@H]1C ZINC001071608678 785391144 /nfs/dbraw/zinc/39/11/44/785391144.db2.gz CPKMDBPVMCERKS-ZFWWWQNUSA-N 1 1 328.416 0.715 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@H]1C ZINC001071623366 785408018 /nfs/dbraw/zinc/40/80/18/785408018.db2.gz VUOSAUSBMWTDHM-ZYHUDNBSSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@H]1C ZINC001071623366 785408024 /nfs/dbraw/zinc/40/80/24/785408024.db2.gz VUOSAUSBMWTDHM-ZYHUDNBSSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)CC[C@H]1C ZINC001071652010 785450429 /nfs/dbraw/zinc/45/04/29/785450429.db2.gz LQRMFRJQPPFOSW-YPMHNXCESA-N 1 1 328.372 0.628 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)CC[C@H]1C ZINC001071652010 785450431 /nfs/dbraw/zinc/45/04/31/785450431.db2.gz LQRMFRJQPPFOSW-YPMHNXCESA-N 1 1 328.372 0.628 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071657467 785461763 /nfs/dbraw/zinc/46/17/63/785461763.db2.gz DVECNXDCKNJJDT-AAEUAGOBSA-N 1 1 335.433 0.411 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071658879 785465508 /nfs/dbraw/zinc/46/55/08/785465508.db2.gz QUXGWTJQYLYKAF-CHWSQXEVSA-N 1 1 340.493 0.937 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[C@@H]1C ZINC001071659745 785467467 /nfs/dbraw/zinc/46/74/67/785467467.db2.gz KPZFDYPWELAZNN-UONOGXRCSA-N 1 1 334.420 0.884 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071660916 785470126 /nfs/dbraw/zinc/47/01/26/785470126.db2.gz CTYDCQHOTOTMAF-KGLIPLIRSA-N 1 1 340.493 0.938 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)CC[C@@H]1C ZINC001071670771 785491173 /nfs/dbraw/zinc/49/11/73/785491173.db2.gz REIDUZRUFUQKNR-KBPBESRZSA-N 1 1 332.404 0.106 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C ZINC001071689879 785529786 /nfs/dbraw/zinc/52/97/86/785529786.db2.gz QTDFHADSBYWZNS-KBPBESRZSA-N 1 1 327.450 0.014 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NC)C1 ZINC001072022571 785539765 /nfs/dbraw/zinc/53/97/65/785539765.db2.gz BQPZVYNRIZALIJ-PBHICJAKSA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NC)C1 ZINC001072022571 785539770 /nfs/dbraw/zinc/53/97/70/785539770.db2.gz BQPZVYNRIZALIJ-PBHICJAKSA-N 1 1 327.428 0.926 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2cnc3c(c2)nnn3C)CC[C@H]1C ZINC001071696210 785545679 /nfs/dbraw/zinc/54/56/79/785545679.db2.gz XBWGUHFDSJACAU-TZMCWYRMSA-N 1 1 326.404 0.969 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@H]1C ZINC001071725020 785593921 /nfs/dbraw/zinc/59/39/21/785593921.db2.gz PBWOQBWIWOAAFD-DGCLKSJQSA-N 1 1 344.423 0.853 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001072139495 785734164 /nfs/dbraw/zinc/73/41/64/785734164.db2.gz UGWLVTXDSYAOGI-UKRRQHHQSA-N 1 1 334.420 0.747 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001072389773 786121699 /nfs/dbraw/zinc/12/16/99/786121699.db2.gz HNISBMXGVLOWRZ-GDBMZVCRSA-N 1 1 333.432 0.085 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001072479305 786247404 /nfs/dbraw/zinc/24/74/04/786247404.db2.gz VSTJDUKNKXLDCL-DOMZBBRYSA-N 1 1 331.420 0.805 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4CCC(=O)N4)C3)C2)c1 ZINC001072548398 786352161 /nfs/dbraw/zinc/35/21/61/786352161.db2.gz ZQFPMPMKWNJMCK-MRXNPFEDSA-N 1 1 338.411 0.871 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)c3ccoc3)C2)C1=O ZINC001073535190 786501730 /nfs/dbraw/zinc/50/17/30/786501730.db2.gz GGLWGTYGJVZBGP-HZPDHXFCSA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)c3ccoc3)C2)C1=O ZINC001073535190 786501734 /nfs/dbraw/zinc/50/17/34/786501734.db2.gz GGLWGTYGJVZBGP-HZPDHXFCSA-N 1 1 347.415 0.887 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001073551751 786564553 /nfs/dbraw/zinc/56/45/53/786564553.db2.gz XYMLZQKRVCYQBK-INIZCTEOSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)c3cocn3)C2)C1=O ZINC001073556869 786590905 /nfs/dbraw/zinc/59/09/05/786590905.db2.gz QSAWERAECVFKAN-HIFRSBDPSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)c3cocn3)C2)C1=O ZINC001073556869 786590907 /nfs/dbraw/zinc/59/09/07/786590907.db2.gz QSAWERAECVFKAN-HIFRSBDPSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001074292319 786609752 /nfs/dbraw/zinc/60/97/52/786609752.db2.gz SWANWZWPBGTUBJ-LSDHHAIUSA-N 1 1 349.431 0.403 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001074292319 786609759 /nfs/dbraw/zinc/60/97/59/786609759.db2.gz SWANWZWPBGTUBJ-LSDHHAIUSA-N 1 1 349.431 0.403 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001073597277 786733330 /nfs/dbraw/zinc/73/33/30/786733330.db2.gz UVOHZQANOXAWLW-CQSZACIVSA-N 1 1 349.479 0.231 20 30 ECEDMO C#CCCCC(=O)N1CC(N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001073601503 786748250 /nfs/dbraw/zinc/74/82/50/786748250.db2.gz DUBIZBGVNFNYFE-UHFFFAOYSA-N 1 1 348.491 0.487 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001073605761 786760258 /nfs/dbraw/zinc/76/02/58/786760258.db2.gz UDEWTRMBIOGDMS-CYBMUJFWSA-N 1 1 334.424 0.272 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001074364368 786764114 /nfs/dbraw/zinc/76/41/14/786764114.db2.gz WOVGJEQYPAZBND-HZPDHXFCSA-N 1 1 346.431 0.755 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001074364368 786764119 /nfs/dbraw/zinc/76/41/19/786764119.db2.gz WOVGJEQYPAZBND-HZPDHXFCSA-N 1 1 346.431 0.755 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 ZINC001074369527 786778238 /nfs/dbraw/zinc/77/82/38/786778238.db2.gz XSAFEIJLHKQFAW-GJZGRUSLSA-N 1 1 334.424 0.331 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 ZINC001074369527 786778246 /nfs/dbraw/zinc/77/82/46/786778246.db2.gz XSAFEIJLHKQFAW-GJZGRUSLSA-N 1 1 334.424 0.331 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001073617611 786778256 /nfs/dbraw/zinc/77/82/56/786778256.db2.gz IQQIVKAPTXEISR-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001073617611 786778262 /nfs/dbraw/zinc/77/82/62/786778262.db2.gz IQQIVKAPTXEISR-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@H]21 ZINC001074377342 786798910 /nfs/dbraw/zinc/79/89/10/786798910.db2.gz JPBMSJUTIRNMQV-HUUCEWRRSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@H]21 ZINC001074377342 786798916 /nfs/dbraw/zinc/79/89/16/786798916.db2.gz JPBMSJUTIRNMQV-HUUCEWRRSA-N 1 1 332.404 0.977 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3nccnc3c2)C1 ZINC001073636630 786833417 /nfs/dbraw/zinc/83/34/17/786833417.db2.gz CGBVNGYCGNBKSY-CQSZACIVSA-N 1 1 325.372 0.479 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3nccnc3c2)C1 ZINC001073636630 786833424 /nfs/dbraw/zinc/83/34/24/786833424.db2.gz CGBVNGYCGNBKSY-CQSZACIVSA-N 1 1 325.372 0.479 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001073667693 786918902 /nfs/dbraw/zinc/91/89/02/786918902.db2.gz MFHJLWVCFIAOQY-OAHLLOKOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001073667693 786918909 /nfs/dbraw/zinc/91/89/09/786918909.db2.gz MFHJLWVCFIAOQY-OAHLLOKOSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nc2COC)C1 ZINC001073667675 786918924 /nfs/dbraw/zinc/91/89/24/786918924.db2.gz LRYSCEFBTRNSGZ-CQSZACIVSA-N 1 1 336.436 0.963 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3ncnn32)C1 ZINC001073681459 786959099 /nfs/dbraw/zinc/95/90/99/786959099.db2.gz OGOWBKIILMNZGF-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001073684681 786968397 /nfs/dbraw/zinc/96/83/97/786968397.db2.gz XLXRHEMTGCFLAA-UONOGXRCSA-N 1 1 330.450 0.204 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001073684681 786968402 /nfs/dbraw/zinc/96/84/02/786968402.db2.gz XLXRHEMTGCFLAA-UONOGXRCSA-N 1 1 330.450 0.204 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001073703637 787009051 /nfs/dbraw/zinc/00/90/51/787009051.db2.gz UQDTXKAAPRAFKF-CVEARBPZSA-N 1 1 345.447 0.461 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001073703814 787009252 /nfs/dbraw/zinc/00/92/52/787009252.db2.gz YTBFNARPYFIGIB-HOTGVXAUSA-N 1 1 345.447 0.461 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001073710359 787020773 /nfs/dbraw/zinc/02/07/73/787020773.db2.gz YJSFQDQTZVZLHJ-HZPDHXFCSA-N 1 1 347.463 0.932 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001073709923 787021173 /nfs/dbraw/zinc/02/11/73/787021173.db2.gz LXSLZLWBQJQAEZ-CVEARBPZSA-N 1 1 345.447 0.379 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001073712527 787025481 /nfs/dbraw/zinc/02/54/81/787025481.db2.gz FDHARMZQTOFXNT-KBPBESRZSA-N 1 1 334.420 0.920 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CCCC)C1 ZINC001073713051 787028995 /nfs/dbraw/zinc/02/89/95/787028995.db2.gz RWDXJTABNIQJFA-IRXDYDNUSA-N 1 1 337.464 0.328 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CCCC)C1 ZINC001073713051 787029000 /nfs/dbraw/zinc/02/90/00/787029000.db2.gz RWDXJTABNIQJFA-IRXDYDNUSA-N 1 1 337.464 0.328 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001074511841 787132061 /nfs/dbraw/zinc/13/20/61/787132061.db2.gz ZAKNEVQDIXFKKN-CABCVRRESA-N 1 1 337.464 0.620 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001073762505 787150670 /nfs/dbraw/zinc/15/06/70/787150670.db2.gz DNCODTUSKIJVDO-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001073762505 787150674 /nfs/dbraw/zinc/15/06/74/787150674.db2.gz DNCODTUSKIJVDO-QGZVFWFLSA-N 1 1 339.399 0.721 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001073769994 787168913 /nfs/dbraw/zinc/16/89/13/787168913.db2.gz YLRNMBJOHKNMBX-QLFBSQMISA-N 1 1 339.436 0.193 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001073769742 787169175 /nfs/dbraw/zinc/16/91/75/787169175.db2.gz PFJJFZWWMRQYSD-AWEZNQCLSA-N 1 1 333.436 0.877 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001073769742 787169178 /nfs/dbraw/zinc/16/91/78/787169178.db2.gz PFJJFZWWMRQYSD-AWEZNQCLSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001073779024 787188879 /nfs/dbraw/zinc/18/88/79/787188879.db2.gz OQHQLEFJVLLDAQ-KGLIPLIRSA-N 1 1 334.424 0.019 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nncn3c2)C1 ZINC001073818736 787260454 /nfs/dbraw/zinc/26/04/54/787260454.db2.gz NNCRELUVOGVSLJ-OAHLLOKOSA-N 1 1 327.388 0.573 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001073821172 787266711 /nfs/dbraw/zinc/26/67/11/787266711.db2.gz BHUPTBNVWJZGSU-CQSZACIVSA-N 1 1 334.420 0.660 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001073848140 787349204 /nfs/dbraw/zinc/34/92/04/787349204.db2.gz QFLICGSUPCBULL-OAHLLOKOSA-N 1 1 349.435 0.636 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001073861311 787386135 /nfs/dbraw/zinc/38/61/35/787386135.db2.gz BLKPLYRXCAMLSM-OAHLLOKOSA-N 1 1 344.415 0.285 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 ZINC001073862849 787392077 /nfs/dbraw/zinc/39/20/77/787392077.db2.gz YUJYDLISIFHRHM-CQSZACIVSA-N 1 1 331.420 0.387 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001073876840 787421475 /nfs/dbraw/zinc/42/14/75/787421475.db2.gz NZPHROZBGRXYSA-MSOLQXFVSA-N 1 1 328.412 0.968 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001073876840 787421482 /nfs/dbraw/zinc/42/14/82/787421482.db2.gz NZPHROZBGRXYSA-MSOLQXFVSA-N 1 1 328.412 0.968 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001073886058 787435066 /nfs/dbraw/zinc/43/50/66/787435066.db2.gz GECALOMTMGQWIF-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001073886058 787435070 /nfs/dbraw/zinc/43/50/70/787435070.db2.gz GECALOMTMGQWIF-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001073886654 787438882 /nfs/dbraw/zinc/43/88/82/787438882.db2.gz UOXCTLDOMYIVFA-HNNXBMFYSA-N 1 1 341.415 0.905 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001073886654 787438888 /nfs/dbraw/zinc/43/88/88/787438888.db2.gz UOXCTLDOMYIVFA-HNNXBMFYSA-N 1 1 341.415 0.905 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001073889322 787444119 /nfs/dbraw/zinc/44/41/19/787444119.db2.gz NUNNSRQSDXJSQL-AWEZNQCLSA-N 1 1 327.388 0.720 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001073889322 787444126 /nfs/dbraw/zinc/44/41/26/787444126.db2.gz NUNNSRQSDXJSQL-AWEZNQCLSA-N 1 1 327.388 0.720 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001073890982 787450236 /nfs/dbraw/zinc/45/02/36/787450236.db2.gz KNTYDOLCHJYLOJ-CVEARBPZSA-N 1 1 339.436 0.017 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001073895763 787463600 /nfs/dbraw/zinc/46/36/00/787463600.db2.gz AYDOVGIUBALODT-SJORKVTESA-N 1 1 339.480 0.880 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2noc3c2COCC3)C1 ZINC001073896215 787465324 /nfs/dbraw/zinc/46/53/24/787465324.db2.gz NNVTVRODXMPDRZ-ZDUSSCGKSA-N 1 1 333.388 0.591 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001073901671 787481861 /nfs/dbraw/zinc/48/18/61/787481861.db2.gz AWRKSPRVGCIZGH-GJZGRUSLSA-N 1 1 333.436 0.624 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001073906464 787492290 /nfs/dbraw/zinc/49/22/90/787492290.db2.gz YSIIHHNJJDPWSD-AWEZNQCLSA-N 1 1 332.404 0.577 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001073910907 787506261 /nfs/dbraw/zinc/50/62/61/787506261.db2.gz CTGXEZQYDOULEE-CQSZACIVSA-N 1 1 332.404 0.577 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)C#CC(C)C)CC1 ZINC001074656294 787520361 /nfs/dbraw/zinc/52/03/61/787520361.db2.gz FVHRLALDDRWOSG-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001073962528 787592685 /nfs/dbraw/zinc/59/26/85/787592685.db2.gz FWAMTEDETSXVNI-ZBFHGGJFSA-N 1 1 346.431 0.585 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)C[C@H]1C ZINC001074013275 787676167 /nfs/dbraw/zinc/67/61/67/787676167.db2.gz DJUCOERTOUZKRL-ZIAGYGMSSA-N 1 1 340.493 0.937 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001074016707 787685818 /nfs/dbraw/zinc/68/58/18/787685818.db2.gz ITALJOLTQWYETD-CABCVRRESA-N 1 1 325.453 0.882 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001074062203 787793402 /nfs/dbraw/zinc/79/34/02/787793402.db2.gz CDMCWXZUOORXSP-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001074063178 787794815 /nfs/dbraw/zinc/79/48/15/787794815.db2.gz MTCFIYHICFMANM-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCC[C@@H]2C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC001074063733 787796745 /nfs/dbraw/zinc/79/67/45/787796745.db2.gz SBRORPJGAYYLLL-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCCCN2C(=O)c2nc[nH]n2)C1=O ZINC001074081410 787832337 /nfs/dbraw/zinc/83/23/37/787832337.db2.gz GCGIMAMFJXJPQB-KGLIPLIRSA-N 1 1 346.435 0.518 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSCC#N)C[C@H]1C ZINC001074089334 787853403 /nfs/dbraw/zinc/85/34/03/787853403.db2.gz CFRDZXLITPSPOY-KGLIPLIRSA-N 1 1 340.493 0.938 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001074094441 787872325 /nfs/dbraw/zinc/87/23/25/787872325.db2.gz YMFCITFBCJMSLQ-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO N#CCN1CC[NH+](Cc2ccc(CNC(=O)c3cn[nH]c3)cc2)CC1 ZINC001074111307 787900074 /nfs/dbraw/zinc/90/00/74/787900074.db2.gz LBYYERVYWCHZHE-UHFFFAOYSA-N 1 1 338.415 0.981 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CC[N@@H+](CCn2cncn2)C3)c1 ZINC001072595423 788392010 /nfs/dbraw/zinc/39/20/10/788392010.db2.gz SHSOPTKJCDSHIL-UHFFFAOYSA-N 1 1 325.376 0.326 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4coc(C)n4)C3)C2)C1=O ZINC001072660770 788531386 /nfs/dbraw/zinc/53/13/86/788531386.db2.gz FQTNKVQOBVCFOF-OAHLLOKOSA-N 1 1 344.415 0.918 20 30 ECEDMO COc1ccc(C[N@@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)nn1 ZINC001072718560 788643963 /nfs/dbraw/zinc/64/39/63/788643963.db2.gz BGUIENGIAHZHGU-UHFFFAOYSA-N 1 1 326.400 0.933 20 30 ECEDMO COc1ccc(C[N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)nn1 ZINC001072718560 788643966 /nfs/dbraw/zinc/64/39/66/788643966.db2.gz BGUIENGIAHZHGU-UHFFFAOYSA-N 1 1 326.400 0.933 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cccc(OCC(N)=O)c3)C2)C1 ZINC001072797508 788820413 /nfs/dbraw/zinc/82/04/13/788820413.db2.gz ZVGQYGVSPHAINW-UHFFFAOYSA-N 1 1 327.384 0.332 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCOC1)C2 ZINC001072822322 788889431 /nfs/dbraw/zinc/88/94/31/788889431.db2.gz AJHWHJDFUBFMQY-SJORKVTESA-N 1 1 331.460 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1csnn1)C2 ZINC001072822693 788891739 /nfs/dbraw/zinc/89/17/39/788891739.db2.gz SYFNPVCEVMJSPN-HNNXBMFYSA-N 1 1 345.472 0.670 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(Cc1csnn1)C2 ZINC001072822693 788891748 /nfs/dbraw/zinc/89/17/48/788891748.db2.gz SYFNPVCEVMJSPN-HNNXBMFYSA-N 1 1 345.472 0.670 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cncn4C)C3)C2)C1=O ZINC001072899719 789066925 /nfs/dbraw/zinc/06/69/25/789066925.db2.gz IVDCPYYSXUQOJM-CQSZACIVSA-N 1 1 343.431 0.355 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001072918046 789110608 /nfs/dbraw/zinc/11/06/08/789110608.db2.gz PLMPWSLSPHDEAP-AWEZNQCLSA-N 1 1 327.432 0.478 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001072944756 789147709 /nfs/dbraw/zinc/14/77/09/789147709.db2.gz KOIKOQDZMMSUNZ-CXAGYDPISA-N 1 1 333.432 0.928 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4ccnnc4)C3)C2)C1=O ZINC001073012299 789272179 /nfs/dbraw/zinc/27/21/79/789272179.db2.gz LWUXINCXCQIMAP-HNNXBMFYSA-N 1 1 341.415 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)CC1 ZINC001075456794 789379327 /nfs/dbraw/zinc/37/93/27/789379327.db2.gz BPEPYSKUOLQQPB-HOCLYGCPSA-N 1 1 332.448 0.642 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4nocc4C)C3)C2)C1=O ZINC001073107598 789451721 /nfs/dbraw/zinc/45/17/21/789451721.db2.gz VVFAXXGLDXYNAE-CQSZACIVSA-N 1 1 344.415 0.918 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C2)C1 ZINC001073111920 789460638 /nfs/dbraw/zinc/46/06/38/789460638.db2.gz CFKZAQGLEXCVII-UHFFFAOYSA-N 1 1 338.415 0.981 20 30 ECEDMO C#CCC[N@H+]1CCC2(CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C2)C1 ZINC001073111920 789460641 /nfs/dbraw/zinc/46/06/41/789460641.db2.gz CFKZAQGLEXCVII-UHFFFAOYSA-N 1 1 338.415 0.981 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C2)C1 ZINC001073111920 789460644 /nfs/dbraw/zinc/46/06/44/789460644.db2.gz CFKZAQGLEXCVII-UHFFFAOYSA-N 1 1 338.415 0.981 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccc(C(=O)NC)nc3)C2)C1 ZINC001073133393 789502548 /nfs/dbraw/zinc/50/25/48/789502548.db2.gz NCLCMZANFRIZGF-UHFFFAOYSA-N 1 1 326.400 0.612 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC001073135580 789506922 /nfs/dbraw/zinc/50/69/22/789506922.db2.gz JUXMQLNADCJMGC-ZDUSSCGKSA-N 1 1 342.399 0.115 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2 ZINC001073135580 789506932 /nfs/dbraw/zinc/50/69/32/789506932.db2.gz JUXMQLNADCJMGC-ZDUSSCGKSA-N 1 1 342.399 0.115 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001073164630 789556727 /nfs/dbraw/zinc/55/67/27/789556727.db2.gz FPLVKBMTHBFJEB-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001075621423 789581698 /nfs/dbraw/zinc/58/16/98/789581698.db2.gz ZZZQOMPZIDOSJK-VBNZEHGJSA-N 1 1 326.400 0.978 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001073260557 789668863 /nfs/dbraw/zinc/66/88/63/789668863.db2.gz NFPBJTHSCYGSFC-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001073415372 789807677 /nfs/dbraw/zinc/80/76/77/789807677.db2.gz YOHLRNWTRQPWLS-UHFFFAOYSA-N 1 1 325.796 0.422 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001073415372 789807682 /nfs/dbraw/zinc/80/76/82/789807682.db2.gz YOHLRNWTRQPWLS-UHFFFAOYSA-N 1 1 325.796 0.422 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H](Nc3cncc(C#N)n3)C(C)(C)C2)C1 ZINC001069572606 789908737 /nfs/dbraw/zinc/90/87/37/789908737.db2.gz ZLTMAGHERDWGLT-JSGCOSHPSA-N 1 1 328.420 0.949 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](Nc3nccnc3C#N)C(C)(C)C2)C1 ZINC001069572493 789908749 /nfs/dbraw/zinc/90/87/49/789908749.db2.gz XNMXZNUEERZCPJ-GXTWGEPZSA-N 1 1 328.420 0.949 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001069732134 789993746 /nfs/dbraw/zinc/99/37/46/789993746.db2.gz FYRACDARDVGLQA-VQIMIIECSA-N 1 1 349.475 0.982 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CC(Nc2ccc(C#N)nn2)C1 ZINC001069786905 790032869 /nfs/dbraw/zinc/03/28/69/790032869.db2.gz HKXKJGQUZMAAEB-UHFFFAOYSA-N 1 1 325.376 0.955 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001069820472 790054894 /nfs/dbraw/zinc/05/48/94/790054894.db2.gz RERBQTBNIUPGRW-CQSZACIVSA-N 1 1 326.404 0.553 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)c2C1 ZINC001069860054 790111922 /nfs/dbraw/zinc/11/19/22/790111922.db2.gz BAMIYLOGDJDXKV-INIZCTEOSA-N 1 1 329.448 0.821 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCCNC3=O)c2C1 ZINC001069863609 790118326 /nfs/dbraw/zinc/11/83/26/790118326.db2.gz AZMOQLWIYCFMNN-HNNXBMFYSA-N 1 1 345.447 0.807 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCCNC3=O)c2C1 ZINC001069863609 790118329 /nfs/dbraw/zinc/11/83/29/790118329.db2.gz AZMOQLWIYCFMNN-HNNXBMFYSA-N 1 1 345.447 0.807 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)c2C1 ZINC001069864363 790119674 /nfs/dbraw/zinc/11/96/74/790119674.db2.gz LZXUQSVNWXSQTQ-HOTGVXAUSA-N 1 1 342.447 0.855 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCCC(=O)N3)c2C1 ZINC001069864628 790120616 /nfs/dbraw/zinc/12/06/16/790120616.db2.gz ZUPRNZUEQJNQLC-OAHLLOKOSA-N 1 1 345.447 0.950 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCCC(=O)N3)c2C1 ZINC001069864628 790120619 /nfs/dbraw/zinc/12/06/19/790120619.db2.gz ZUPRNZUEQJNQLC-OAHLLOKOSA-N 1 1 345.447 0.950 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)c2C1 ZINC001069877291 790139763 /nfs/dbraw/zinc/13/97/63/790139763.db2.gz ODYRBGAOANNOSJ-CVEARBPZSA-N 1 1 342.447 0.855 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001069895105 790162935 /nfs/dbraw/zinc/16/29/35/790162935.db2.gz CGAMJEITCJWZBI-KGLIPLIRSA-N 1 1 328.376 0.562 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001069895105 790162938 /nfs/dbraw/zinc/16/29/38/790162938.db2.gz CGAMJEITCJWZBI-KGLIPLIRSA-N 1 1 328.376 0.562 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069912810 790182094 /nfs/dbraw/zinc/18/20/94/790182094.db2.gz AODAMNPWVPBCHF-CABCVRRESA-N 1 1 328.351 0.491 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069912810 790182095 /nfs/dbraw/zinc/18/20/95/790182095.db2.gz AODAMNPWVPBCHF-CABCVRRESA-N 1 1 328.351 0.491 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CCC(O)CC2)[C@@H](n2ccnn2)C1 ZINC001069916299 790186051 /nfs/dbraw/zinc/18/60/51/790186051.db2.gz PATIUXBCBQYLNF-FJBKBRRZSA-N 1 1 333.436 0.747 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CCC(O)CC2)[C@@H](n2ccnn2)C1 ZINC001069916299 790186053 /nfs/dbraw/zinc/18/60/53/790186053.db2.gz PATIUXBCBQYLNF-FJBKBRRZSA-N 1 1 333.436 0.747 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](n2ccnn2)C1 ZINC001069918511 790188039 /nfs/dbraw/zinc/18/80/39/790188039.db2.gz VJSSWOYKQBDJQS-CVEARBPZSA-N 1 1 341.419 0.619 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)[C@@H](n2ccnn2)C1 ZINC001069936925 790211065 /nfs/dbraw/zinc/21/10/65/790211065.db2.gz ZMAOVRYOVRXFKM-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)[C@@H](n2ccnn2)C1 ZINC001069936925 790211069 /nfs/dbraw/zinc/21/10/69/790211069.db2.gz ZMAOVRYOVRXFKM-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069947326 790227092 /nfs/dbraw/zinc/22/70/92/790227092.db2.gz XDTGOOXHTXTDAO-CVEARBPZSA-N 1 1 343.435 0.480 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001069968359 790256204 /nfs/dbraw/zinc/25/62/04/790256204.db2.gz VRWZDYPWXNUIPH-ZBFHGGJFSA-N 1 1 343.435 0.805 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001068840562 791238515 /nfs/dbraw/zinc/23/85/15/791238515.db2.gz ZZSQEJXLPHWVRX-OAHLLOKOSA-N 1 1 347.459 0.760 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001068853516 791268451 /nfs/dbraw/zinc/26/84/51/791268451.db2.gz OCQAWQYQSMASCK-HZPDHXFCSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068858579 791278425 /nfs/dbraw/zinc/27/84/25/791278425.db2.gz HJLCVJWBHLSMNK-CVEARBPZSA-N 1 1 347.459 0.474 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC(C)C)CO2 ZINC001068859294 791279978 /nfs/dbraw/zinc/27/99/78/791279978.db2.gz QHVYBYKPRXLPLG-HNNXBMFYSA-N 1 1 344.415 0.337 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2 ZINC001068863154 791294234 /nfs/dbraw/zinc/29/42/34/791294234.db2.gz QDIAKBKIRMUCGY-JKSUJKDBSA-N 1 1 345.443 0.370 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001068873262 791316893 /nfs/dbraw/zinc/31/68/93/791316893.db2.gz BCZVZLHOZCDVLA-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068884897 791341657 /nfs/dbraw/zinc/34/16/57/791341657.db2.gz JSRCYKYKFAYMQN-QLFBSQMISA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@H+](C)C1CCC1)CO2 ZINC001068906393 791389491 /nfs/dbraw/zinc/38/94/91/791389491.db2.gz VFFADPWFYYDGNK-AWEZNQCLSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(C(=O)CCCC)C2)C1 ZINC001068911366 791401068 /nfs/dbraw/zinc/40/10/68/791401068.db2.gz UBZCHJKJLAVPDS-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(C(=O)CCCC)C2)C1 ZINC001068911366 791401070 /nfs/dbraw/zinc/40/10/70/791401070.db2.gz UBZCHJKJLAVPDS-CVEARBPZSA-N 1 1 347.459 0.760 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)[C@H]1C ZINC001068921563 791425661 /nfs/dbraw/zinc/42/56/61/791425661.db2.gz RSMIEKZJCCDSKT-TZMCWYRMSA-N 1 1 325.376 0.955 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068973352 791528963 /nfs/dbraw/zinc/52/89/63/791528963.db2.gz SDPKQZOFOMKISJ-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@H]1COC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001069007289 791582518 /nfs/dbraw/zinc/58/25/18/791582518.db2.gz DGZZWPCQNXOXKP-ZIAGYGMSSA-N 1 1 348.447 0.364 20 30 ECEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119230 791719974 /nfs/dbraw/zinc/71/99/74/791719974.db2.gz PXYSBDCSNJDINT-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO C[C@@H]1C[C@@H](Nc2ccncc2C#N)CN1C(=O)CC[NH+]1CCOCC1 ZINC001069119913 791721316 /nfs/dbraw/zinc/72/13/16/791721316.db2.gz ZHISPWULBIGMIR-GDBMZVCRSA-N 1 1 343.431 0.499 20 30 ECEDMO Cc1cc(N2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H](O)C2)nc(C)[nH+]1 ZINC001067661078 791962144 /nfs/dbraw/zinc/96/21/44/791962144.db2.gz PMFPCOBYNKHQQT-UKRRQHHQSA-N 1 1 340.387 0.520 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNc3ccncc3C#N)C2)CC[N@H+]1C ZINC001066686540 791987191 /nfs/dbraw/zinc/98/71/91/791987191.db2.gz UAPTWCKPRCTKOY-VNQPRFMTSA-N 1 1 343.431 0.355 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](CNc2cnc(C#N)cn2)C1 ZINC001066691234 792002962 /nfs/dbraw/zinc/00/29/62/792002962.db2.gz OFGCCXNXDYQDTE-HUUCEWRRSA-N 1 1 344.419 0.472 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)CCCN(C)C(=O)CSCC#N ZINC001066872990 792245381 /nfs/dbraw/zinc/24/53/81/792245381.db2.gz DAMPUQJWPBBCPJ-UHFFFAOYSA-N 1 1 337.449 0.755 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2nccnc2C#N)C1 ZINC001066890920 792292340 /nfs/dbraw/zinc/29/23/40/792292340.db2.gz RZKJYIBSZTWKJT-WMLDXEAASA-N 1 1 344.419 0.208 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CC(CNc2nccnc2C#N)C1 ZINC001067852834 792373401 /nfs/dbraw/zinc/37/34/01/792373401.db2.gz RJEPMOIXWZBILF-UHFFFAOYSA-N 1 1 325.376 0.860 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@H]1CCCO1 ZINC001066918952 792382667 /nfs/dbraw/zinc/38/26/67/792382667.db2.gz PKKKYOHXTPEBAW-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@H]1CCCO1 ZINC001066918952 792382674 /nfs/dbraw/zinc/38/26/74/792382674.db2.gz PKKKYOHXTPEBAW-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067889289 792428573 /nfs/dbraw/zinc/42/85/73/792428573.db2.gz SXMRLUTXVTVXDI-IYXRBSQSSA-N 1 1 328.420 0.561 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(CNc3cnc(C#N)cn3)C2)O1 ZINC001067898977 792444704 /nfs/dbraw/zinc/44/47/04/792444704.db2.gz CDJDBPIDYSJFTE-XZNOPERXSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(CNc3cnc(C#N)cn3)C2)O1 ZINC001067898977 792444708 /nfs/dbraw/zinc/44/47/08/792444708.db2.gz CDJDBPIDYSJFTE-XZNOPERXSA-N 1 1 344.419 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)COCCC ZINC001066969787 792484547 /nfs/dbraw/zinc/48/45/47/792484547.db2.gz QZFKATHTBAIXIG-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)COCCC ZINC001066969787 792484550 /nfs/dbraw/zinc/48/45/50/792484550.db2.gz QZFKATHTBAIXIG-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC[C@H]1C ZINC001067961121 792508452 /nfs/dbraw/zinc/50/84/52/792508452.db2.gz NIROENRRSOSPPP-OCCSQVGLSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001068157496 792757190 /nfs/dbraw/zinc/75/71/90/792757190.db2.gz GMVHNNTVFGJRBW-NXOAAHMSSA-N 1 1 325.416 0.846 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2C#N)C1 ZINC001067166086 792769066 /nfs/dbraw/zinc/76/90/66/792769066.db2.gz DPEQTUYBKOOPIQ-RISCZKNCSA-N 1 1 325.376 0.812 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001067427613 793142060 /nfs/dbraw/zinc/14/20/60/793142060.db2.gz LFZPYXDZKVUJEZ-JKSUJKDBSA-N 1 1 337.464 0.531 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001068393678 793197574 /nfs/dbraw/zinc/19/75/74/793197574.db2.gz XLCDQYDZCRGSBP-UHFFFAOYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001068401378 793224902 /nfs/dbraw/zinc/22/49/02/793224902.db2.gz GCBKOMIARJWQBB-HZPDHXFCSA-N 1 1 347.459 0.570 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCNS(C)(=O)=O)C1 ZINC001267466977 837473725 /nfs/dbraw/zinc/47/37/25/837473725.db2.gz UPJWAICVURCWRQ-AWEZNQCLSA-N 1 1 329.466 0.262 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001267487091 837549106 /nfs/dbraw/zinc/54/91/06/837549106.db2.gz AJYDRNMFCKDUBG-WBVHZDCISA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)c2nc(C)c[nH]2)C1 ZINC001267487438 837549265 /nfs/dbraw/zinc/54/92/65/837549265.db2.gz DTDQTIHFUBTMEL-LSDHHAIUSA-N 1 1 345.447 0.783 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)c2nc(C)c[nH]2)C1 ZINC001267487438 837549276 /nfs/dbraw/zinc/54/92/76/837549276.db2.gz DTDQTIHFUBTMEL-LSDHHAIUSA-N 1 1 345.447 0.783 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001267490999 837556462 /nfs/dbraw/zinc/55/64/62/837556462.db2.gz YBRZESQYFOEQHN-AAEUAGOBSA-N 1 1 348.451 0.634 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2ccsc2)C1 ZINC001267500275 837575525 /nfs/dbraw/zinc/57/55/25/837575525.db2.gz CTPCRMBFBTZZQZ-CQSZACIVSA-N 1 1 333.457 0.868 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)C#CC1CC1)CCCN1C(=O)CNC1=O ZINC001267501339 837577174 /nfs/dbraw/zinc/57/71/74/837577174.db2.gz PQEQOHZEQGAWOE-UHFFFAOYSA-N 1 1 348.447 0.558 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2cccc(C)n2)C1 ZINC001267509352 837598554 /nfs/dbraw/zinc/59/85/54/837598554.db2.gz RPOWZEDHFKTNTR-CVEARBPZSA-N 1 1 342.443 0.970 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2oc(C)nc2C)C1 ZINC001267514385 837608178 /nfs/dbraw/zinc/60/81/78/837608178.db2.gz VHJXPEBUVSPIGH-CQSZACIVSA-N 1 1 332.404 0.483 20 30 ECEDMO C[C@H]([NH2+][C@@H](CNC(=O)C#CC1CC1)c1ccccc1)C(=O)NC(N)=O ZINC001267519857 837669034 /nfs/dbraw/zinc/66/90/34/837669034.db2.gz JKOBJVSKCLITEM-WFASDCNBSA-N 1 1 342.399 0.430 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCC)[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001267548597 837744145 /nfs/dbraw/zinc/74/41/45/837744145.db2.gz JDFIHQLXBRUHMF-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCC)[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001267548597 837744152 /nfs/dbraw/zinc/74/41/52/837744152.db2.gz JDFIHQLXBRUHMF-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cc(CCC)n[nH]2)C1 ZINC001267552872 837754823 /nfs/dbraw/zinc/75/48/23/837754823.db2.gz VYILDESMYDODRU-AWEZNQCLSA-N 1 1 345.447 0.553 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(F)nc2)C1 ZINC001267556000 837762243 /nfs/dbraw/zinc/76/22/43/837762243.db2.gz RQGWUQZMKODLHF-CYBMUJFWSA-N 1 1 334.395 0.965 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](OC)C2CCC2)C1 ZINC001267560166 837769596 /nfs/dbraw/zinc/76/95/96/837769596.db2.gz DMCKYSZCMZTSOR-PBHICJAKSA-N 1 1 335.448 0.379 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001267565934 837782833 /nfs/dbraw/zinc/78/28/33/837782833.db2.gz XOKJZLFEUPQQLZ-OAGGEKHMSA-N 1 1 337.464 0.932 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)CCc2cc(C)on2)C1 ZINC001267570328 837799589 /nfs/dbraw/zinc/79/95/89/837799589.db2.gz MTJIRQWNDDZOHT-HNNXBMFYSA-N 1 1 346.431 0.493 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2Cc3ccccc32)C1 ZINC001267569922 837799771 /nfs/dbraw/zinc/79/97/71/837799771.db2.gz FPLJSBSHCDOIRN-QAPCUYQASA-N 1 1 339.439 0.904 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)CCn2nc(C)cc2C)CC1 ZINC001267573050 837812802 /nfs/dbraw/zinc/81/28/02/837812802.db2.gz HCPZZALKKYCGGQ-UHFFFAOYSA-N 1 1 331.464 0.599 20 30 ECEDMO CCc1c(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)ccn1C ZINC001267576602 837832297 /nfs/dbraw/zinc/83/22/97/837832297.db2.gz UFZLJTZXSILTLQ-AWEZNQCLSA-N 1 1 345.447 0.669 20 30 ECEDMO C=C(Cl)CN1CC[NH+](CCCNC(=O)Cc2cnn(C)c2)CC1 ZINC001266257892 835565246 /nfs/dbraw/zinc/56/52/46/835565246.db2.gz SANJIKXROHMDLL-UHFFFAOYSA-N 1 1 339.871 0.839 20 30 ECEDMO C=CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001266267246 835585382 /nfs/dbraw/zinc/58/53/82/835585382.db2.gz USQSNFLQIFSUIG-MRXNPFEDSA-N 1 1 331.464 0.755 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCC[C@@H]1C ZINC001266276856 835601762 /nfs/dbraw/zinc/60/17/62/835601762.db2.gz DMMPIWOVCCYYBI-KBPBESRZSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCC[C@@H]1C ZINC001266276856 835601766 /nfs/dbraw/zinc/60/17/66/835601766.db2.gz DMMPIWOVCCYYBI-KBPBESRZSA-N 1 1 338.452 0.873 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)C(=O)N(C)C(C)C ZINC001266284353 835617369 /nfs/dbraw/zinc/61/73/69/835617369.db2.gz BSWYWPFZCWSRMT-CVEARBPZSA-N 1 1 336.480 0.387 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)C(=O)N(C)C(C)C ZINC001266284353 835617373 /nfs/dbraw/zinc/61/73/73/835617373.db2.gz BSWYWPFZCWSRMT-CVEARBPZSA-N 1 1 336.480 0.387 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1noc(C2CC2)n1 ZINC001266284553 835617744 /nfs/dbraw/zinc/61/77/44/835617744.db2.gz GHOAGUFMCSYAAO-AWEZNQCLSA-N 1 1 331.420 0.593 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1noc(C2CC2)n1 ZINC001266284553 835617747 /nfs/dbraw/zinc/61/77/47/835617747.db2.gz GHOAGUFMCSYAAO-AWEZNQCLSA-N 1 1 331.420 0.593 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)C[C@@H]2CCOC[C@@H]2OCC)CC1 ZINC001266288042 835630606 /nfs/dbraw/zinc/63/06/06/835630606.db2.gz OYTKFVQMHBELND-IRXDYDNUSA-N 1 1 337.464 0.185 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1cccc(CC)c1 ZINC001266288782 835632474 /nfs/dbraw/zinc/63/24/74/835632474.db2.gz PSNKYOFIKBQLIY-OAHLLOKOSA-N 1 1 329.444 0.977 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1cccc(CC)c1 ZINC001266288782 835632477 /nfs/dbraw/zinc/63/24/77/835632477.db2.gz PSNKYOFIKBQLIY-OAHLLOKOSA-N 1 1 329.444 0.977 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)c2cnc3cc(C)nn3c2C)CC1 ZINC001266289970 835633565 /nfs/dbraw/zinc/63/35/65/835633565.db2.gz IQPCZTDPOAVRCX-UHFFFAOYSA-N 1 1 340.431 0.327 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C(C)(C)C)on1 ZINC001266296954 835645207 /nfs/dbraw/zinc/64/52/07/835645207.db2.gz FFQICRUTLVHWQZ-GFCCVEGCSA-N 1 1 334.420 0.772 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C(C)(C)C)on1 ZINC001266296954 835645209 /nfs/dbraw/zinc/64/52/09/835645209.db2.gz FFQICRUTLVHWQZ-GFCCVEGCSA-N 1 1 334.420 0.772 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001266302806 835665519 /nfs/dbraw/zinc/66/55/19/835665519.db2.gz VAKOJQVJUZDMEE-UKRRQHHQSA-N 1 1 338.452 0.126 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001266302806 835665525 /nfs/dbraw/zinc/66/55/25/835665525.db2.gz VAKOJQVJUZDMEE-UKRRQHHQSA-N 1 1 338.452 0.126 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001266311078 835678707 /nfs/dbraw/zinc/67/87/07/835678707.db2.gz QTWGCCASKPPSCF-OAHLLOKOSA-N 1 1 332.404 0.608 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001266311078 835678712 /nfs/dbraw/zinc/67/87/12/835678712.db2.gz QTWGCCASKPPSCF-OAHLLOKOSA-N 1 1 332.404 0.608 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001266322937 835697899 /nfs/dbraw/zinc/69/78/99/835697899.db2.gz QKUFNOMLOFHANP-YOEHRIQHSA-N 1 1 341.411 0.354 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001266322937 835697904 /nfs/dbraw/zinc/69/79/04/835697904.db2.gz QKUFNOMLOFHANP-YOEHRIQHSA-N 1 1 341.411 0.354 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](C)C[C@H]2CCNC(=O)CC2)c1 ZINC001266323604 835699655 /nfs/dbraw/zinc/69/96/55/835699655.db2.gz HXDDTMOCBKHQRZ-OAHLLOKOSA-N 1 1 328.416 0.641 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001266344907 835733790 /nfs/dbraw/zinc/73/37/90/835733790.db2.gz ODQMZOQWVLNQHV-LBPRGKRZSA-N 1 1 348.378 0.770 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001266344907 835733800 /nfs/dbraw/zinc/73/38/00/835733800.db2.gz ODQMZOQWVLNQHV-LBPRGKRZSA-N 1 1 348.378 0.770 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001266359337 835768317 /nfs/dbraw/zinc/76/83/17/835768317.db2.gz SZTJTGBRNZFQFS-CABCVRRESA-N 1 1 330.432 0.584 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001266359337 835768325 /nfs/dbraw/zinc/76/83/25/835768325.db2.gz SZTJTGBRNZFQFS-CABCVRRESA-N 1 1 330.432 0.584 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](OC)c1ccc(F)cc1 ZINC001266365045 835777585 /nfs/dbraw/zinc/77/75/85/835777585.db2.gz KZTTYFBTYQWLAY-CJNGLKHVSA-N 1 1 349.406 0.699 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](OC)c1ccc(F)cc1 ZINC001266365045 835777589 /nfs/dbraw/zinc/77/75/89/835777589.db2.gz KZTTYFBTYQWLAY-CJNGLKHVSA-N 1 1 349.406 0.699 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)COCC2CC2)CC1 ZINC001266366613 835777843 /nfs/dbraw/zinc/77/78/43/835777843.db2.gz WBKPHPSFGICTIV-CQSZACIVSA-N 1 1 334.420 0.023 20 30 ECEDMO CCn1cccc1C(=O)N[C@@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001266382625 835794484 /nfs/dbraw/zinc/79/44/84/835794484.db2.gz UXZQLDZFDSZNNP-OAHLLOKOSA-N 1 1 343.431 0.732 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cn(C(C)(C)C)nn1 ZINC001266394335 835801056 /nfs/dbraw/zinc/80/10/56/835801056.db2.gz MVENQQXWRLASGD-ZDUSSCGKSA-N 1 1 348.451 0.223 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cn(C(C)(C)C)nn1 ZINC001266394335 835801062 /nfs/dbraw/zinc/80/10/62/835801062.db2.gz MVENQQXWRLASGD-ZDUSSCGKSA-N 1 1 348.451 0.223 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)[C@H](C)c1nnc(CC)[nH]1 ZINC001266394025 835801526 /nfs/dbraw/zinc/80/15/26/835801526.db2.gz GZXTUAUPBMJALC-CABCVRRESA-N 1 1 346.479 0.964 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)[C@H](C)c1nnc(CC)[nH]1 ZINC001266394025 835801533 /nfs/dbraw/zinc/80/15/33/835801533.db2.gz GZXTUAUPBMJALC-CABCVRRESA-N 1 1 346.479 0.964 20 30 ECEDMO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CNS(=O)(=O)CC ZINC001282668218 835801558 /nfs/dbraw/zinc/80/15/58/835801558.db2.gz VTQYZRQJPFCHSX-AWEZNQCLSA-N 1 1 331.482 0.863 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001266398782 835806137 /nfs/dbraw/zinc/80/61/37/835806137.db2.gz CUXQYOLVJRCXTJ-HUUCEWRRSA-N 1 1 345.447 0.022 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001266398782 835806143 /nfs/dbraw/zinc/80/61/43/835806143.db2.gz CUXQYOLVJRCXTJ-HUUCEWRRSA-N 1 1 345.447 0.022 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)C1(C(F)(F)F)CCC1 ZINC001266399504 835806839 /nfs/dbraw/zinc/80/68/39/835806839.db2.gz YAOCOGAZZIXIQE-UHFFFAOYSA-N 1 1 333.354 0.907 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)C1(C(F)(F)F)CCC1 ZINC001266399504 835806846 /nfs/dbraw/zinc/80/68/46/835806846.db2.gz YAOCOGAZZIXIQE-UHFFFAOYSA-N 1 1 333.354 0.907 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)c2c(C)cnn2C)C1=O ZINC001266411324 835816049 /nfs/dbraw/zinc/81/60/49/835816049.db2.gz RHRBMWXSTWLAQR-AWEZNQCLSA-N 1 1 333.436 0.567 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)Cc1c(C)cc(C)[nH]c1=O ZINC001266411308 835816081 /nfs/dbraw/zinc/81/60/81/835816081.db2.gz QXQIZGKJAHRKJQ-UHFFFAOYSA-N 1 1 346.431 0.134 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)Cc1c(C)cc(C)[nH]c1=O ZINC001266411308 835816084 /nfs/dbraw/zinc/81/60/84/835816084.db2.gz QXQIZGKJAHRKJQ-UHFFFAOYSA-N 1 1 346.431 0.134 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cnn(C)c1C(F)F ZINC001266428204 835832633 /nfs/dbraw/zinc/83/26/33/835832633.db2.gz NCXGSLPORAQFBY-UHFFFAOYSA-N 1 1 341.362 0.159 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cnn(C)c1C(F)F ZINC001266428204 835832639 /nfs/dbraw/zinc/83/26/39/835832639.db2.gz NCXGSLPORAQFBY-UHFFFAOYSA-N 1 1 341.362 0.159 20 30 ECEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001266431220 835835646 /nfs/dbraw/zinc/83/56/46/835835646.db2.gz BSYJOMJYZHHDDS-INIZCTEOSA-N 1 1 331.391 0.894 20 30 ECEDMO CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001266431220 835835652 /nfs/dbraw/zinc/83/56/52/835835652.db2.gz BSYJOMJYZHHDDS-INIZCTEOSA-N 1 1 331.391 0.894 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C=C(C)C ZINC001266446166 835850402 /nfs/dbraw/zinc/85/04/02/835850402.db2.gz BQZKNYOMUWTEDU-KBPBESRZSA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C=C(C)C ZINC001266446166 835850409 /nfs/dbraw/zinc/85/04/09/835850409.db2.gz BQZKNYOMUWTEDU-KBPBESRZSA-N 1 1 336.436 0.934 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001266449001 835853848 /nfs/dbraw/zinc/85/38/48/835853848.db2.gz XMSOVCONYRVTBB-KGLIPLIRSA-N 1 1 331.420 0.332 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001266449001 835853855 /nfs/dbraw/zinc/85/38/55/835853855.db2.gz XMSOVCONYRVTBB-KGLIPLIRSA-N 1 1 331.420 0.332 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001266449001 835853862 /nfs/dbraw/zinc/85/38/62/835853862.db2.gz XMSOVCONYRVTBB-KGLIPLIRSA-N 1 1 331.420 0.332 20 30 ECEDMO Cc1ncc(C(=O)N2CCC[C@@H](C[N@H+](C)CC(=O)NCC#N)C2)s1 ZINC001266452079 835854815 /nfs/dbraw/zinc/85/48/15/835854815.db2.gz JXHLHVBVVGMDCE-ZDUSSCGKSA-N 1 1 349.460 0.875 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)COC(C)C)C1 ZINC001266452601 835855332 /nfs/dbraw/zinc/85/53/32/835855332.db2.gz PTMXZASLGFNQJK-CVEARBPZSA-N 1 1 337.464 0.720 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](C[N@@H+](C)CCN2C(=O)CCC2=O)C1 ZINC001266455946 835859334 /nfs/dbraw/zinc/85/93/34/835859334.db2.gz ODHRXJOZVCRFSE-INIZCTEOSA-N 1 1 347.459 0.965 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266461113 835863300 /nfs/dbraw/zinc/86/33/00/835863300.db2.gz JVIKPMZDXOMWCS-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266461113 835863304 /nfs/dbraw/zinc/86/33/04/835863304.db2.gz JVIKPMZDXOMWCS-ZBFHGGJFSA-N 1 1 333.432 0.228 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cn2c(n1)CCCC2 ZINC001266465565 835867805 /nfs/dbraw/zinc/86/78/05/835867805.db2.gz XRYJOBJKIMKPLB-KRWDZBQOSA-N 1 1 344.459 0.992 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc(C2CC2)nn1 ZINC001266468023 835869896 /nfs/dbraw/zinc/86/98/96/835869896.db2.gz IAKSXLVLCOOUGQ-OAHLLOKOSA-N 1 1 331.420 0.386 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001266468433 835870082 /nfs/dbraw/zinc/87/00/82/835870082.db2.gz QGBGYHJWMVZIDN-OAHLLOKOSA-N 1 1 339.399 0.458 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001266468433 835870087 /nfs/dbraw/zinc/87/00/87/835870087.db2.gz QGBGYHJWMVZIDN-OAHLLOKOSA-N 1 1 339.399 0.458 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001266468550 835871729 /nfs/dbraw/zinc/87/17/29/835871729.db2.gz SIHGSKATIOLJTR-QWHCGFSZSA-N 1 1 347.419 0.141 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001266468550 835871737 /nfs/dbraw/zinc/87/17/37/835871737.db2.gz SIHGSKATIOLJTR-QWHCGFSZSA-N 1 1 347.419 0.141 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001266473357 835875683 /nfs/dbraw/zinc/87/56/83/835875683.db2.gz ZPYRHRJXRVWPFY-OAHLLOKOSA-N 1 1 345.447 0.180 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccccn1 ZINC001266488565 835888155 /nfs/dbraw/zinc/88/81/55/835888155.db2.gz LGZSUVPUDMJZHA-LSDHHAIUSA-N 1 1 346.431 0.732 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccccn1 ZINC001266488565 835888162 /nfs/dbraw/zinc/88/81/62/835888162.db2.gz LGZSUVPUDMJZHA-LSDHHAIUSA-N 1 1 346.431 0.732 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001266488149 835888353 /nfs/dbraw/zinc/88/83/53/835888353.db2.gz DDOJTQBPRNWGCE-JSGCOSHPSA-N 1 1 343.431 0.619 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001266488149 835888356 /nfs/dbraw/zinc/88/83/56/835888356.db2.gz DDOJTQBPRNWGCE-JSGCOSHPSA-N 1 1 343.431 0.619 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001266492097 835891033 /nfs/dbraw/zinc/89/10/33/835891033.db2.gz HWGDCSRCSJPSFT-ZDUSSCGKSA-N 1 1 342.403 0.454 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001266492097 835891035 /nfs/dbraw/zinc/89/10/35/835891035.db2.gz HWGDCSRCSJPSFT-ZDUSSCGKSA-N 1 1 342.403 0.454 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)/C=C/c2ccco2)C1 ZINC001266497994 835898893 /nfs/dbraw/zinc/89/88/93/835898893.db2.gz OROQKNYFJFXVIQ-MFHOCJEASA-N 1 1 329.400 0.869 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001266513604 835923731 /nfs/dbraw/zinc/92/37/31/835923731.db2.gz DANFPOQGWLAOMB-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001266514673 835925522 /nfs/dbraw/zinc/92/55/22/835925522.db2.gz UKCNNJPOJIQFAV-CQSZACIVSA-N 1 1 348.451 0.059 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)COC2CCCCC2)C1 ZINC001266520182 835932842 /nfs/dbraw/zinc/93/28/42/835932842.db2.gz HPRDPRNXFMCSRL-CVEARBPZSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001266523059 835937727 /nfs/dbraw/zinc/93/77/27/835937727.db2.gz FXSCRMMNZKLQKQ-CYBMUJFWSA-N 1 1 347.419 0.020 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2(C(C)(F)F)CC2)C1 ZINC001266533638 835951537 /nfs/dbraw/zinc/95/15/37/835951537.db2.gz NJPSHAYSQQZWFW-LBPRGKRZSA-N 1 1 327.375 0.609 20 30 ECEDMO C=CCOCC[NH2+][C@H]1CCN(C(=O)C(C)(C)CN2CCOCC2)C1 ZINC001266534092 835952399 /nfs/dbraw/zinc/95/23/99/835952399.db2.gz DBQKKNBJHBCPGI-INIZCTEOSA-N 1 1 339.480 0.738 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(COC)on2)C1 ZINC001266537710 835956410 /nfs/dbraw/zinc/95/64/10/835956410.db2.gz QYSPZGZLRUUGOI-OLZOCXBDSA-N 1 1 348.403 0.011 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)COCc2ccncc2)C1 ZINC001266539709 835959981 /nfs/dbraw/zinc/95/99/81/835959981.db2.gz GXHLZFFBIRQFLG-KRWDZBQOSA-N 1 1 331.416 0.686 20 30 ECEDMO CCc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)cc1 ZINC001266545769 835967801 /nfs/dbraw/zinc/96/78/01/835967801.db2.gz QRLFSYWFLAPLKR-OAHLLOKOSA-N 1 1 328.416 0.940 20 30 ECEDMO CCc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cc1 ZINC001266545769 835967802 /nfs/dbraw/zinc/96/78/02/835967802.db2.gz QRLFSYWFLAPLKR-OAHLLOKOSA-N 1 1 328.416 0.940 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266549630 835973811 /nfs/dbraw/zinc/97/38/11/835973811.db2.gz ZLZYYWFVGMAJCQ-UONOGXRCSA-N 1 1 336.436 0.673 20 30 ECEDMO CCC[N@H+](CCNC(=O)C#CC1CC1)CC(=O)NC1CCOCC1 ZINC001266560481 835988495 /nfs/dbraw/zinc/98/84/95/835988495.db2.gz OIAPYMCRHJJVDP-UHFFFAOYSA-N 1 1 335.448 0.523 20 30 ECEDMO CCC[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)NC1CCOCC1 ZINC001266560481 835988499 /nfs/dbraw/zinc/98/84/99/835988499.db2.gz OIAPYMCRHJJVDP-UHFFFAOYSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cc(C2CC2)on1)C1CC1 ZINC001266604385 836037349 /nfs/dbraw/zinc/03/73/49/836037349.db2.gz CDQUURSZAIQGBH-LBPRGKRZSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cc(C2CC2)on1)C1CC1 ZINC001266604385 836037368 /nfs/dbraw/zinc/03/73/68/836037368.db2.gz CDQUURSZAIQGBH-LBPRGKRZSA-N 1 1 344.415 0.884 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2n[nH]cc2F)C1 ZINC001266658845 836095547 /nfs/dbraw/zinc/09/55/47/836095547.db2.gz JAVCMHQCLUCOEF-OCCSQVGLSA-N 1 1 347.394 0.225 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001266740783 836222081 /nfs/dbraw/zinc/22/20/81/836222081.db2.gz ZKNVVHACPGIRJK-NSHDSACASA-N 1 1 337.811 0.750 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001266740783 836222088 /nfs/dbraw/zinc/22/20/88/836222088.db2.gz ZKNVVHACPGIRJK-NSHDSACASA-N 1 1 337.811 0.750 20 30 ECEDMO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001266790117 836305649 /nfs/dbraw/zinc/30/56/49/836305649.db2.gz CGNUPNHDRSFUFO-GJZGRUSLSA-N 1 1 345.447 0.308 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@H+]1CCCN1C(=O)CNC1=O ZINC001266837900 836362909 /nfs/dbraw/zinc/36/29/09/836362909.db2.gz YLHHPQOYEQWYPR-STQMWFEESA-N 1 1 335.408 0.059 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCCC[N@@H+]2C[C@@H](O)COC)c1 ZINC001266852869 836384325 /nfs/dbraw/zinc/38/43/25/836384325.db2.gz ALWQPRSDZIWMDO-DLBZAZTESA-N 1 1 331.416 0.655 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001266858068 836396016 /nfs/dbraw/zinc/39/60/16/836396016.db2.gz QUFMBFWHTYUZEN-CYBMUJFWSA-N 1 1 332.404 0.733 20 30 ECEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001266886846 836435691 /nfs/dbraw/zinc/43/56/91/836435691.db2.gz QAMLLQZJQBGWAG-UONOGXRCSA-N 1 1 336.436 0.993 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001266900846 836453455 /nfs/dbraw/zinc/45/34/55/836453455.db2.gz LDXRWZJYHOKXSC-KSTXQTNUSA-N 1 1 347.459 0.513 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)N3CCCCC3)C[C@H]21 ZINC001266900800 836453477 /nfs/dbraw/zinc/45/34/77/836453477.db2.gz HONJAQOVMAVPDT-LSIDRNEPSA-N 1 1 349.475 0.761 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)COCC1CC1 ZINC001279540046 836477483 /nfs/dbraw/zinc/47/74/83/836477483.db2.gz GBIKVTQGNNKYOW-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)COCC1CC1 ZINC001279540046 836477491 /nfs/dbraw/zinc/47/74/91/836477491.db2.gz GBIKVTQGNNKYOW-HZPDHXFCSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1ncnn1-c1ccccc1 ZINC001266938254 836496825 /nfs/dbraw/zinc/49/68/25/836496825.db2.gz VSNKKKCGNPTDEV-HUUCEWRRSA-N 1 1 341.415 0.900 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1nnc(C)o1 ZINC001279552455 836564245 /nfs/dbraw/zinc/56/42/45/836564245.db2.gz BNKCSYFMSNTREM-LSDHHAIUSA-N 1 1 332.404 0.636 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC001267099701 836768706 /nfs/dbraw/zinc/76/87/06/836768706.db2.gz BXTLLTDVLIVWNP-LSDHHAIUSA-N 1 1 333.436 0.497 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)COC(C)(C)C)C1 ZINC001267102343 836775864 /nfs/dbraw/zinc/77/58/64/836775864.db2.gz DWMWOWZTPLCRIT-GJZGRUSLSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCc2ccncn2)C1 ZINC001267104870 836781209 /nfs/dbraw/zinc/78/12/09/836781209.db2.gz VRUPJXAFLYCCCA-INIZCTEOSA-N 1 1 343.431 0.081 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CCc2ccncn2)C1 ZINC001267104870 836781213 /nfs/dbraw/zinc/78/12/13/836781213.db2.gz VRUPJXAFLYCCCA-INIZCTEOSA-N 1 1 343.431 0.081 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCCCC)C1 ZINC001267106252 836786984 /nfs/dbraw/zinc/78/69/84/836786984.db2.gz PPOXKJJPEPMCAK-CVEARBPZSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCCCC)C1 ZINC001267106252 836786991 /nfs/dbraw/zinc/78/69/91/836786991.db2.gz PPOXKJJPEPMCAK-CVEARBPZSA-N 1 1 337.464 0.864 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001267109900 836793462 /nfs/dbraw/zinc/79/34/62/836793462.db2.gz YQNFXKYJTDFRKE-HZSPNIEDSA-N 1 1 336.436 0.577 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001267109900 836793467 /nfs/dbraw/zinc/79/34/67/836793467.db2.gz YQNFXKYJTDFRKE-HZSPNIEDSA-N 1 1 336.436 0.577 20 30 ECEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC001267112666 836801012 /nfs/dbraw/zinc/80/10/12/836801012.db2.gz VDKIZVGZTMPRKZ-GDBMZVCRSA-N 1 1 326.462 0.900 20 30 ECEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)c2nc3nccc(C)n3n2)C1 ZINC001267115707 836809742 /nfs/dbraw/zinc/80/97/42/836809742.db2.gz YOJCOBJALKCHCV-AWEZNQCLSA-N 1 1 326.404 0.992 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCS(N)(=O)=O ZINC001279576572 836817677 /nfs/dbraw/zinc/81/76/77/836817677.db2.gz ORKNBQVEZJUJFA-UONOGXRCSA-N 1 1 329.466 0.697 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)SC ZINC001267187561 836943435 /nfs/dbraw/zinc/94/34/35/836943435.db2.gz YJMFDTFAPYAQHK-MNOVXSKESA-N 1 1 330.454 0.186 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)SC ZINC001267187561 836943448 /nfs/dbraw/zinc/94/34/48/836943448.db2.gz YJMFDTFAPYAQHK-MNOVXSKESA-N 1 1 330.454 0.186 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cnn3c2CCC3)C1=O ZINC001267199319 836968851 /nfs/dbraw/zinc/96/88/51/836968851.db2.gz NEZBINWYNFUREP-OAHLLOKOSA-N 1 1 331.420 0.278 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cnn3c2CCC3)C1=O ZINC001267199319 836968858 /nfs/dbraw/zinc/96/88/58/836968858.db2.gz NEZBINWYNFUREP-OAHLLOKOSA-N 1 1 331.420 0.278 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC001267204760 836982985 /nfs/dbraw/zinc/98/29/85/836982985.db2.gz KZROCXUGBVWLIO-WFASDCNBSA-N 1 1 347.463 0.706 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC001267204760 836982989 /nfs/dbraw/zinc/98/29/89/836982989.db2.gz KZROCXUGBVWLIO-WFASDCNBSA-N 1 1 347.463 0.706 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C(C)C)c1 ZINC001267214846 837005047 /nfs/dbraw/zinc/00/50/47/837005047.db2.gz FWLITDZQZYZHDR-CQSZACIVSA-N 1 1 330.432 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C(C)C)c1 ZINC001267214846 837005052 /nfs/dbraw/zinc/00/50/52/837005052.db2.gz FWLITDZQZYZHDR-CQSZACIVSA-N 1 1 330.432 0.980 20 30 ECEDMO C#CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267232423 837037203 /nfs/dbraw/zinc/03/72/03/837037203.db2.gz HUNGNSCWFVGGFM-RDJZCZTQSA-N 1 1 344.459 0.475 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)C1(C)CC(F)(F)C1 ZINC001267254370 837076339 /nfs/dbraw/zinc/07/63/39/837076339.db2.gz MZIXUNDSOJRBKG-GFCCVEGCSA-N 1 1 329.391 0.998 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)C1(C)CC(F)(F)C1 ZINC001267254370 837076343 /nfs/dbraw/zinc/07/63/43/837076343.db2.gz MZIXUNDSOJRBKG-GFCCVEGCSA-N 1 1 329.391 0.998 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001267261595 837092560 /nfs/dbraw/zinc/09/25/60/837092560.db2.gz QMHLWESVWDQPJA-CABCVRRESA-N 1 1 330.432 0.666 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001267261595 837092571 /nfs/dbraw/zinc/09/25/71/837092571.db2.gz QMHLWESVWDQPJA-CABCVRRESA-N 1 1 330.432 0.666 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)CC(N)=O ZINC001267264457 837098997 /nfs/dbraw/zinc/09/89/97/837098997.db2.gz SKXTWABBYUVMMN-CQSZACIVSA-N 1 1 330.388 0.523 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1CNC(=O)CC(N)=O ZINC001267264457 837099010 /nfs/dbraw/zinc/09/90/10/837099010.db2.gz SKXTWABBYUVMMN-CQSZACIVSA-N 1 1 330.388 0.523 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)Cc2ccn(C)n2)C1=O ZINC001267266941 837103183 /nfs/dbraw/zinc/10/31/83/837103183.db2.gz JSOCGYLSJXCXIN-CVEARBPZSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001267268819 837107724 /nfs/dbraw/zinc/10/77/24/837107724.db2.gz GPMKLGAVCBQABA-YPMHNXCESA-N 1 1 333.392 0.067 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CC(C)(C)COC ZINC001267276609 837120798 /nfs/dbraw/zinc/12/07/98/837120798.db2.gz OYEOXGRDYIZUBW-CABCVRRESA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CC(C)(C)COC ZINC001267276609 837120801 /nfs/dbraw/zinc/12/08/01/837120801.db2.gz OYEOXGRDYIZUBW-CABCVRRESA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccon1 ZINC001267277263 837121044 /nfs/dbraw/zinc/12/10/44/837121044.db2.gz VGCOCQRHTZLMKC-ZFWWWQNUSA-N 1 1 332.404 0.326 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1ccon1 ZINC001267277263 837121048 /nfs/dbraw/zinc/12/10/48/837121048.db2.gz VGCOCQRHTZLMKC-ZFWWWQNUSA-N 1 1 332.404 0.326 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C1CCC(NC(C)=O)CC1 ZINC001267281991 837130578 /nfs/dbraw/zinc/13/05/78/837130578.db2.gz AAOSZZCPOCOMCW-ABHNRTSZSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCCCCC(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267292654 837147587 /nfs/dbraw/zinc/14/75/87/837147587.db2.gz YSOKJUAUOCDYPT-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCCCC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267298399 837159992 /nfs/dbraw/zinc/15/99/92/837159992.db2.gz MLWRTNMQAUUVKI-GJZGRUSLSA-N 1 1 333.432 0.813 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2coc(OC)n2)C1 ZINC001267298105 837160008 /nfs/dbraw/zinc/16/00/08/837160008.db2.gz JMXMRHDWRLJSGP-VXGBXAGGSA-N 1 1 336.392 0.426 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ncc(C)cc2C)C1 ZINC001267299476 837163793 /nfs/dbraw/zinc/16/37/93/837163793.db2.gz YIWXVFZHMDXPHB-JKSUJKDBSA-N 1 1 342.443 0.888 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)C3(C(N)=O)CC3)C2)ccc1F ZINC001267302985 837169774 /nfs/dbraw/zinc/16/97/74/837169774.db2.gz UNOIQZVXKZFDKQ-ZDUSSCGKSA-N 1 1 344.390 0.901 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccncc2Cl)C1 ZINC001267303638 837169933 /nfs/dbraw/zinc/16/99/33/837169933.db2.gz PZDYEUGOBGFJSZ-GFCCVEGCSA-N 1 1 334.807 0.536 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCc2cncs2)C1 ZINC001267303593 837170006 /nfs/dbraw/zinc/17/00/06/837170006.db2.gz PKDIDELVYNEYNG-LBPRGKRZSA-N 1 1 335.433 0.154 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2cncs2)C1 ZINC001267303593 837170012 /nfs/dbraw/zinc/17/00/12/837170012.db2.gz PKDIDELVYNEYNG-LBPRGKRZSA-N 1 1 335.433 0.154 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnn(CC)c2C)C1 ZINC001267304138 837170714 /nfs/dbraw/zinc/17/07/14/837170714.db2.gz FKOPPVVMTQTZIC-CABCVRRESA-N 1 1 345.447 0.401 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cn(CC)nc2C)C1 ZINC001267304109 837171133 /nfs/dbraw/zinc/17/11/33/837171133.db2.gz VUDMOGAIHUHERF-CQSZACIVSA-N 1 1 333.436 0.565 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001267303962 837171644 /nfs/dbraw/zinc/17/16/44/837171644.db2.gz UIZZZMAYLFDVBE-LSDHHAIUSA-N 1 1 331.416 0.879 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cccn2C(C)C)C1 ZINC001267305058 837173991 /nfs/dbraw/zinc/17/39/91/837173991.db2.gz GJPBYOAHPIYPKI-HNNXBMFYSA-N 1 1 330.432 0.870 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001267305689 837174313 /nfs/dbraw/zinc/17/43/13/837174313.db2.gz MWGHYYFCWTYPRB-CQSZACIVSA-N 1 1 340.427 0.867 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001267305689 837174318 /nfs/dbraw/zinc/17/43/18/837174318.db2.gz MWGHYYFCWTYPRB-CQSZACIVSA-N 1 1 340.427 0.867 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ncoc2C(C)C)C1 ZINC001267306186 837176736 /nfs/dbraw/zinc/17/67/36/837176736.db2.gz FLRMMDIMTFZBRO-CYBMUJFWSA-N 1 1 332.404 0.599 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)COc2ccccc2)C1 ZINC001267307223 837180036 /nfs/dbraw/zinc/18/00/36/837180036.db2.gz OGZRSCGMVJBXPV-OAHLLOKOSA-N 1 1 331.416 0.806 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1ccn(C)c(=O)c1)C1CC1 ZINC001267328296 837209873 /nfs/dbraw/zinc/20/98/73/837209873.db2.gz PTDDHYLMEUZJTO-CYBMUJFWSA-N 1 1 346.431 0.270 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1ccn(C)c(=O)c1)C1CC1 ZINC001267328296 837209880 /nfs/dbraw/zinc/20/98/80/837209880.db2.gz PTDDHYLMEUZJTO-CYBMUJFWSA-N 1 1 346.431 0.270 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CCNC(=O)[C@]1(C)C=CCC1)C1CC1 ZINC001267331614 837212220 /nfs/dbraw/zinc/21/22/20/837212220.db2.gz MJUJRVOTQMPUDB-GOSISDBHSA-N 1 1 348.447 0.935 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCNC(=O)[C@]1(C)C=CCC1)C1CC1 ZINC001267331614 837212229 /nfs/dbraw/zinc/21/22/29/837212229.db2.gz MJUJRVOTQMPUDB-GOSISDBHSA-N 1 1 348.447 0.935 20 30 ECEDMO CCC(=O)N1CC[C@H](C(=O)NCC[N@@H+](CC#CCOC)C2CC2)C1 ZINC001267336553 837219866 /nfs/dbraw/zinc/21/98/66/837219866.db2.gz RHWSVASIRUXCLH-HNNXBMFYSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1cn(CC)cn1)C1CC1 ZINC001267336643 837220040 /nfs/dbraw/zinc/22/00/40/837220040.db2.gz UXJMPYJPENPDEJ-ZDUSSCGKSA-N 1 1 331.420 0.235 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1cn(CC)cn1)C1CC1 ZINC001267336643 837220049 /nfs/dbraw/zinc/22/00/49/837220049.db2.gz UXJMPYJPENPDEJ-ZDUSSCGKSA-N 1 1 331.420 0.235 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)c1ccc(OC)cc1)C1CC1 ZINC001267337542 837220354 /nfs/dbraw/zinc/22/03/54/837220354.db2.gz ZPJYCDLTAGNPQT-UHFFFAOYSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)c1ccc(OC)cc1)C1CC1 ZINC001267337542 837220363 /nfs/dbraw/zinc/22/03/63/837220363.db2.gz ZPJYCDLTAGNPQT-UHFFFAOYSA-N 1 1 329.400 0.639 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC001267580813 837841603 /nfs/dbraw/zinc/84/16/03/837841603.db2.gz DSBIXCNPKKIIJH-OCCSQVGLSA-N 1 1 332.404 0.515 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](C[N@@H+](C)C[C@H](O)Cn2cccn2)C1 ZINC001267580871 837842051 /nfs/dbraw/zinc/84/20/51/837842051.db2.gz FZRLNCDWIJVGGG-IRXDYDNUSA-N 1 1 332.448 0.828 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001267588813 837873374 /nfs/dbraw/zinc/87/33/74/837873374.db2.gz JPPUYSKPAQESSF-YJBOKZPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NC3CC3)C2)nn1 ZINC001267590626 837878829 /nfs/dbraw/zinc/87/88/29/837878829.db2.gz UZAVEDHEOQKFDW-ZDUSSCGKSA-N 1 1 346.435 0.137 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)C2=COCCC2)CC1 ZINC001267598178 837905680 /nfs/dbraw/zinc/90/56/80/837905680.db2.gz VNVXVQFTBVVYDI-UHFFFAOYSA-N 1 1 334.420 0.491 20 30 ECEDMO CCO[C@@H]1C[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001267598242 837907283 /nfs/dbraw/zinc/90/72/83/837907283.db2.gz XVBWKHCNSDFLNZ-LSDHHAIUSA-N 1 1 336.436 0.222 20 30 ECEDMO C#CCCCC(=O)N1CCC(C[N@@H+](C)CCNS(C)(=O)=O)CC1 ZINC001267598867 837910210 /nfs/dbraw/zinc/91/02/10/837910210.db2.gz UUKKTUBLIJFPCG-UHFFFAOYSA-N 1 1 343.493 0.510 20 30 ECEDMO C#CCOCCC(=O)N1CCC(C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC001267599510 837912534 /nfs/dbraw/zinc/91/25/34/837912534.db2.gz RPJZMQMCVHDYGI-UHFFFAOYSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001267600316 837916554 /nfs/dbraw/zinc/91/65/54/837916554.db2.gz OTBKHKQIGCJWCW-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@H+](C)CC1CCN(C(=O)c2cccc(C(=O)NC)n2)CC1 ZINC001267603809 837932941 /nfs/dbraw/zinc/93/29/41/837932941.db2.gz BVFPFJAJYMCIOK-UHFFFAOYSA-N 1 1 328.416 0.858 20 30 ECEDMO CC#CC[N@@H+](C)CC1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 ZINC001267604229 837934649 /nfs/dbraw/zinc/93/46/49/837934649.db2.gz RGHXWPMWECMKJD-UHFFFAOYSA-N 1 1 328.416 0.988 20 30 ECEDMO C=CCC(C)(C)C(=O)N(C)CCN1CC[NH+](CCn2cncn2)CC1 ZINC001267612556 837982132 /nfs/dbraw/zinc/98/21/32/837982132.db2.gz OTQOASITYJMIGH-UHFFFAOYSA-N 1 1 348.495 0.956 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2c3c(nn2C)CCC3)C1 ZINC001267619285 838055324 /nfs/dbraw/zinc/05/53/24/838055324.db2.gz FTBFWHQEKLBKHV-CQSZACIVSA-N 1 1 330.432 0.753 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2c3c(nn2C)CCC3)C1 ZINC001267619285 838055331 /nfs/dbraw/zinc/05/53/31/838055331.db2.gz FTBFWHQEKLBKHV-CQSZACIVSA-N 1 1 330.432 0.753 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 ZINC001267629511 838086231 /nfs/dbraw/zinc/08/62/31/838086231.db2.gz YCAWAOUAJKVMJP-CABCVRRESA-N 1 1 337.464 0.768 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 ZINC001267629511 838086244 /nfs/dbraw/zinc/08/62/44/838086244.db2.gz YCAWAOUAJKVMJP-CABCVRRESA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001267634302 838101390 /nfs/dbraw/zinc/10/13/90/838101390.db2.gz QAOHAMMZVFKMDR-CABCVRRESA-N 1 1 345.447 0.288 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001267634302 838101395 /nfs/dbraw/zinc/10/13/95/838101395.db2.gz QAOHAMMZVFKMDR-CABCVRRESA-N 1 1 345.447 0.288 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1 ZINC001267634578 838103744 /nfs/dbraw/zinc/10/37/44/838103744.db2.gz FMHCBJOJKJRXJG-GJZGRUSLSA-N 1 1 347.415 0.628 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1 ZINC001267634578 838103749 /nfs/dbraw/zinc/10/37/49/838103749.db2.gz FMHCBJOJKJRXJG-GJZGRUSLSA-N 1 1 347.415 0.628 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001267646898 838135353 /nfs/dbraw/zinc/13/53/53/838135353.db2.gz SNFXGYNQZYDIID-AWEZNQCLSA-N 1 1 333.436 0.045 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001267658459 838173572 /nfs/dbraw/zinc/17/35/72/838173572.db2.gz ORINGVVEIIJAEA-OAHLLOKOSA-N 1 1 331.416 0.429 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001267665595 838189622 /nfs/dbraw/zinc/18/96/22/838189622.db2.gz JROXZIXWXIJEIC-OAGGEKHMSA-N 1 1 335.448 0.603 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2occ3c2CCC3)C1 ZINC001267667052 838194641 /nfs/dbraw/zinc/19/46/41/838194641.db2.gz YRARZXNWNXCNDG-CQSZACIVSA-N 1 1 343.427 0.912 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(OC)n2)C1 ZINC001267666740 838194804 /nfs/dbraw/zinc/19/48/04/838194804.db2.gz WBVVKCHEDLMFRA-ZDUSSCGKSA-N 1 1 347.419 0.181 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)cnn2C)C1 ZINC001267670919 838204114 /nfs/dbraw/zinc/20/41/14/838204114.db2.gz QCAJKGFXSMBYQP-LSDHHAIUSA-N 1 1 345.447 0.260 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001267681414 838241491 /nfs/dbraw/zinc/24/14/91/838241491.db2.gz MLXKUAURVDZUEC-RRQGHBQHSA-N 1 1 342.443 0.924 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001267697104 838289771 /nfs/dbraw/zinc/28/97/71/838289771.db2.gz OSVCHGQSBDTKHF-KBPBESRZSA-N 1 1 329.404 0.008 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ncc3n2CCCC3)C1 ZINC001267699546 838291192 /nfs/dbraw/zinc/29/11/92/838291192.db2.gz WSRCUSWNPOKYFW-CYBMUJFWSA-N 1 1 345.447 0.572 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)COCCOC ZINC001267711521 838327899 /nfs/dbraw/zinc/32/78/99/838327899.db2.gz ZLRPZIWJKSDDTF-KKUMJFAQSA-N 1 1 326.437 0.508 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)COCCOC ZINC001267711521 838327905 /nfs/dbraw/zinc/32/79/05/838327905.db2.gz ZLRPZIWJKSDDTF-KKUMJFAQSA-N 1 1 326.437 0.508 20 30 ECEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)NS(C)(=O)=O ZINC001267713895 838338078 /nfs/dbraw/zinc/33/80/78/838338078.db2.gz VRYRDXWZQYFLQY-RDBSUJKOSA-N 1 1 343.493 0.954 20 30 ECEDMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001267723791 838382245 /nfs/dbraw/zinc/38/22/45/838382245.db2.gz KESFAQUBDWDYFE-INIZCTEOSA-N 1 1 349.456 0.168 20 30 ECEDMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267723791 838382253 /nfs/dbraw/zinc/38/22/53/838382253.db2.gz KESFAQUBDWDYFE-INIZCTEOSA-N 1 1 349.456 0.168 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)c2cc(C)ncn2)CC1 ZINC001267724699 838387987 /nfs/dbraw/zinc/38/79/87/838387987.db2.gz KGTNJPQZPYFEQI-UHFFFAOYSA-N 1 1 343.431 0.318 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001267725730 838395466 /nfs/dbraw/zinc/39/54/66/838395466.db2.gz ZXAMHDLIEVDNHY-NEPJUHHUSA-N 1 1 342.403 0.453 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001267725730 838395472 /nfs/dbraw/zinc/39/54/72/838395472.db2.gz ZXAMHDLIEVDNHY-NEPJUHHUSA-N 1 1 342.403 0.453 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267740596 838440658 /nfs/dbraw/zinc/44/06/58/838440658.db2.gz LZYUTXHDZRWYFU-UKRRQHHQSA-N 1 1 348.447 0.747 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267740596 838440665 /nfs/dbraw/zinc/44/06/65/838440665.db2.gz LZYUTXHDZRWYFU-UKRRQHHQSA-N 1 1 348.447 0.747 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnn3ccccc23)C1 ZINC001267751430 838473927 /nfs/dbraw/zinc/47/39/27/838473927.db2.gz YTQNUDOCWYMERJ-UONOGXRCSA-N 1 1 341.415 0.829 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnn3ccccc23)C1 ZINC001267751430 838473929 /nfs/dbraw/zinc/47/39/29/838473929.db2.gz YTQNUDOCWYMERJ-UONOGXRCSA-N 1 1 341.415 0.829 20 30 ECEDMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CSCC#N)C1 ZINC001267756779 838482397 /nfs/dbraw/zinc/48/23/97/838482397.db2.gz MJUNSTDILBIAKW-ZDUSSCGKSA-N 1 1 326.466 0.643 20 30 ECEDMO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)CSCC#N)C1 ZINC001267756779 838482402 /nfs/dbraw/zinc/48/24/02/838482402.db2.gz MJUNSTDILBIAKW-ZDUSSCGKSA-N 1 1 326.466 0.643 20 30 ECEDMO C=CCOCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001267761006 838488903 /nfs/dbraw/zinc/48/89/03/838488903.db2.gz ZMHJEWFWMVEUES-JKSUJKDBSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCOCC(=O)N(C)[C@H]1CC[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001267761006 838488908 /nfs/dbraw/zinc/48/89/08/838488908.db2.gz ZMHJEWFWMVEUES-JKSUJKDBSA-N 1 1 335.448 0.875 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(C)cc2C)C1 ZINC001267761651 838491136 /nfs/dbraw/zinc/49/11/36/838491136.db2.gz JMKWIQLLKUFBRG-UONOGXRCSA-N 1 1 331.420 0.013 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2nn(C)cc2C)C1 ZINC001267761651 838491137 /nfs/dbraw/zinc/49/11/37/838491137.db2.gz JMKWIQLLKUFBRG-UONOGXRCSA-N 1 1 331.420 0.013 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC001267762515 838491781 /nfs/dbraw/zinc/49/17/81/838491781.db2.gz RAEWFNNHJALXDT-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCOCCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC001267762515 838491784 /nfs/dbraw/zinc/49/17/84/838491784.db2.gz RAEWFNNHJALXDT-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC001267763507 838493260 /nfs/dbraw/zinc/49/32/60/838493260.db2.gz XXDYBRMWTGAJLI-PBHICJAKSA-N 1 1 343.427 0.857 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC001267763507 838493263 /nfs/dbraw/zinc/49/32/63/838493263.db2.gz XXDYBRMWTGAJLI-PBHICJAKSA-N 1 1 343.427 0.857 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](CCOCCNC(C)=O)C1 ZINC001267769630 838516040 /nfs/dbraw/zinc/51/60/40/838516040.db2.gz YQNBLMHYFREFKV-HNNXBMFYSA-N 1 1 325.453 0.884 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N(C)C)nc2)C1 ZINC001267770149 838518157 /nfs/dbraw/zinc/51/81/57/838518157.db2.gz ZLQIGVXYWJFYSG-INIZCTEOSA-N 1 1 330.432 0.944 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N(C)C)nc2)C1 ZINC001267770149 838518166 /nfs/dbraw/zinc/51/81/66/838518166.db2.gz ZLQIGVXYWJFYSG-INIZCTEOSA-N 1 1 330.432 0.944 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001267773324 838532374 /nfs/dbraw/zinc/53/23/74/838532374.db2.gz LVQFFDBYRBKDSE-IAGOWNOFSA-N 1 1 347.463 0.887 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cccn2)C1 ZINC001267776997 838541626 /nfs/dbraw/zinc/54/16/26/838541626.db2.gz ITCZSGMNVKUTCB-HOTGVXAUSA-N 1 1 345.447 0.334 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCCn2cccn2)C1 ZINC001267776997 838541629 /nfs/dbraw/zinc/54/16/29/838541629.db2.gz ITCZSGMNVKUTCB-HOTGVXAUSA-N 1 1 345.447 0.334 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN(C)c2ccccc2)C1 ZINC001267778433 838545862 /nfs/dbraw/zinc/54/58/62/838545862.db2.gz AOFSOPZKJHHTEA-QGZVFWFLSA-N 1 1 344.459 0.958 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)c2ccccc2)C1 ZINC001267778433 838545868 /nfs/dbraw/zinc/54/58/68/838545868.db2.gz AOFSOPZKJHHTEA-QGZVFWFLSA-N 1 1 344.459 0.958 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(C)c2C)C1 ZINC001267780903 838553441 /nfs/dbraw/zinc/55/34/41/838553441.db2.gz XPAXMPJJTCVHIH-LSDHHAIUSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(C)c2C)C1 ZINC001267780903 838553445 /nfs/dbraw/zinc/55/34/45/838553445.db2.gz XPAXMPJJTCVHIH-LSDHHAIUSA-N 1 1 345.447 0.403 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnc(C)n2)C1 ZINC001267791304 838572410 /nfs/dbraw/zinc/57/24/10/838572410.db2.gz XJGGTEQSMAYQPN-HIFRSBDPSA-N 1 1 343.431 0.459 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2ccnc(C)n2)C1 ZINC001267791304 838572413 /nfs/dbraw/zinc/57/24/13/838572413.db2.gz XJGGTEQSMAYQPN-HIFRSBDPSA-N 1 1 343.431 0.459 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(=O)n2C)C1 ZINC001267791344 838572428 /nfs/dbraw/zinc/57/24/28/838572428.db2.gz PHZNVJHATCGEBD-CQSZACIVSA-N 1 1 346.431 0.224 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(=O)n2C)C1 ZINC001267791344 838572437 /nfs/dbraw/zinc/57/24/37/838572437.db2.gz PHZNVJHATCGEBD-CQSZACIVSA-N 1 1 346.431 0.224 20 30 ECEDMO COCC#CC[NH2+]Cc1ccc(CNC(=O)C2=NC(=O)N(C)C2)cc1 ZINC001267939539 838821516 /nfs/dbraw/zinc/82/15/16/838821516.db2.gz WVTSDNXGJRGGAH-UHFFFAOYSA-N 1 1 342.399 0.795 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001267942953 838830522 /nfs/dbraw/zinc/83/05/22/838830522.db2.gz SAHQNYMTPPQKOF-CYBMUJFWSA-N 1 1 328.376 0.197 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001267942953 838830533 /nfs/dbraw/zinc/83/05/33/838830533.db2.gz SAHQNYMTPPQKOF-CYBMUJFWSA-N 1 1 328.376 0.197 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c(C)nc[nH]c2=O)C1 ZINC001267950344 838843847 /nfs/dbraw/zinc/84/38/47/838843847.db2.gz ZHUZDGUUCLRPMN-OAHLLOKOSA-N 1 1 346.431 0.654 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCc2c(C)nc[nH]c2=O)C1 ZINC001267950344 838843860 /nfs/dbraw/zinc/84/38/60/838843860.db2.gz ZHUZDGUUCLRPMN-OAHLLOKOSA-N 1 1 346.431 0.654 20 30 ECEDMO CC1(C)CO[C@H](C[N@@H+]2CCO[C@@H](CNC(=O)CSCC#N)C2)C1 ZINC001268016996 838981993 /nfs/dbraw/zinc/98/19/93/838981993.db2.gz HYTXGLMQGKVXNJ-KBPBESRZSA-N 1 1 341.477 0.875 20 30 ECEDMO CC1(C)CO[C@H](C[N@H+]2CCO[C@@H](CNC(=O)CSCC#N)C2)C1 ZINC001268016996 838981995 /nfs/dbraw/zinc/98/19/95/838981995.db2.gz HYTXGLMQGKVXNJ-KBPBESRZSA-N 1 1 341.477 0.875 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)c2ccoc2C)C1 ZINC001268021793 838998655 /nfs/dbraw/zinc/99/86/55/838998655.db2.gz KHJQXSGEDNDSBC-CQSZACIVSA-N 1 1 335.404 0.711 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H](CNC(=O)CNC(=O)c2ccoc2C)C1 ZINC001268021793 838998659 /nfs/dbraw/zinc/99/86/59/838998659.db2.gz KHJQXSGEDNDSBC-CQSZACIVSA-N 1 1 335.404 0.711 20 30 ECEDMO O=C(C#CC1CC1)NC[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)CCO1 ZINC001268021729 838998948 /nfs/dbraw/zinc/99/89/48/838998948.db2.gz JDGBQDRHZOYVMM-JKSUJKDBSA-N 1 1 333.432 0.133 20 30 ECEDMO O=C(C#CC1CC1)NC[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)CCO1 ZINC001268021729 838998956 /nfs/dbraw/zinc/99/89/56/838998956.db2.gz JDGBQDRHZOYVMM-JKSUJKDBSA-N 1 1 333.432 0.133 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CCc1cn[nH]c1)CC2 ZINC001268047292 839217524 /nfs/dbraw/zinc/21/75/24/839217524.db2.gz YMCRASCIESXTQO-UHFFFAOYSA-N 1 1 345.447 0.569 20 30 ECEDMO O=C(CN1CCOCC1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980999441 839302512 /nfs/dbraw/zinc/30/25/12/839302512.db2.gz KJXUPQXOVBBWEC-UHFFFAOYSA-N 1 1 341.455 0.905 20 30 ECEDMO O=C(CN1CCOCC1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980999441 839302520 /nfs/dbraw/zinc/30/25/20/839302520.db2.gz KJXUPQXOVBBWEC-UHFFFAOYSA-N 1 1 341.455 0.905 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)CNc2cccc(C#N)c2)CC1 ZINC000426469603 210152247 /nfs/dbraw/zinc/15/22/47/210152247.db2.gz NHFBZNVNLCQNQK-UHFFFAOYSA-N 1 1 329.404 0.297 20 30 ECEDMO N#C[C@H]1C[N@@H+](CCCC(=O)NC(N)=O)C[C@]12c1ccccc1NC2=O ZINC000374353344 283068833 /nfs/dbraw/zinc/06/88/33/283068833.db2.gz RLPYZDWFCFBOOD-APPDUMDISA-N 1 1 341.371 0.307 20 30 ECEDMO N#C[C@H]1C[N@H+](CCCC(=O)NC(N)=O)C[C@]12c1ccccc1NC2=O ZINC000374353344 283068834 /nfs/dbraw/zinc/06/88/34/283068834.db2.gz RLPYZDWFCFBOOD-APPDUMDISA-N 1 1 341.371 0.307 20 30 ECEDMO N#Cc1cc(F)c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(F)c1 ZINC000267962691 283095956 /nfs/dbraw/zinc/09/59/56/283095956.db2.gz DGUCCOMANWYDRU-CYBMUJFWSA-N 1 1 336.342 0.906 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129444975 223056145 /nfs/dbraw/zinc/05/61/45/223056145.db2.gz PGWJSZRRCQPAEM-MSOLQXFVSA-N 1 1 345.443 0.952 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1Br ZINC000420402752 209361631 /nfs/dbraw/zinc/36/16/31/209361631.db2.gz JBDOCDAVINUHJP-UHFFFAOYSA-N 1 1 330.207 0.915 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 ZINC001077917661 781939787 /nfs/dbraw/zinc/93/97/87/781939787.db2.gz DRHLNZBUWUJYNM-HZPDHXFCSA-N 1 1 337.464 0.369 20 30 ECEDMO Cn1c(C#N)ccc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000448972898 211267520 /nfs/dbraw/zinc/26/75/20/211267520.db2.gz WMBFJCOPYXPKSR-OAHLLOKOSA-N 1 1 329.404 0.275 20 30 ECEDMO CN(C)c1nc(N2CCN(C(=O)c3cc(C#N)ccn3)CC2)cc[nH+]1 ZINC000353907427 269686262 /nfs/dbraw/zinc/68/62/62/269686262.db2.gz XJXUFZGSLSRLPW-UHFFFAOYSA-N 1 1 337.387 0.772 20 30 ECEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000267643454 251218534 /nfs/dbraw/zinc/21/85/34/251218534.db2.gz WCOLLJDGFYNIFA-DLBZAZTESA-N 1 1 347.415 0.397 20 30 ECEDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268708569 252159667 /nfs/dbraw/zinc/15/96/67/252159667.db2.gz XBATWCWWZCINPJ-HOCLYGCPSA-N 1 1 337.445 0.853 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CCCC#N ZINC000104113657 285282605 /nfs/dbraw/zinc/28/26/05/285282605.db2.gz ZYEYBVIPOYKUIK-HNNXBMFYSA-N 1 1 330.498 0.968 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1nn(C)cc1C#N ZINC000610561214 421187631 /nfs/dbraw/zinc/18/76/31/421187631.db2.gz RAPXGBKZJHVLOS-CYBMUJFWSA-N 1 1 347.423 0.356 20 30 ECEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1 ZINC000269456512 263183983 /nfs/dbraw/zinc/18/39/83/263183983.db2.gz HAVFDJXOITVSND-HNNXBMFYSA-N 1 1 347.415 0.861 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000332097179 270005590 /nfs/dbraw/zinc/00/55/90/270005590.db2.gz QBJUIWKZBKIJIR-CYBMUJFWSA-N 1 1 332.429 0.998 20 30 ECEDMO N#Cc1ncn(CCNc2ncnc3c2cnn3-c2cc[nH+]cc2)n1 ZINC000505755203 270008031 /nfs/dbraw/zinc/00/80/31/270008031.db2.gz CSLQNUCFDQILKU-UHFFFAOYSA-N 1 1 332.331 0.786 20 30 ECEDMO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@H](C)OC ZINC000361568146 266104350 /nfs/dbraw/zinc/10/43/50/266104350.db2.gz YHTRKRSWEKDUKX-ZDUSSCGKSA-N 1 1 349.435 0.860 20 30 ECEDMO CC[NH+]1CCN(CCCCNC(=O)Cc2noc(C)c2C#N)CC1 ZINC000354429724 266149229 /nfs/dbraw/zinc/14/92/29/266149229.db2.gz WNJKMSPNOYQLFQ-UHFFFAOYSA-N 1 1 333.436 0.931 20 30 ECEDMO CC[C@@H]1CN(C(=O)Cc2noc(C)c2C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000332160635 266374699 /nfs/dbraw/zinc/37/46/99/266374699.db2.gz IYZOSYSDDDZGDJ-CJNGLKHVSA-N 1 1 332.404 0.966 20 30 ECEDMO C[C@@H](O)C[N@H+](CCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000289985732 266984385 /nfs/dbraw/zinc/98/43/85/266984385.db2.gz YADSYGVSTYXWOA-CYBMUJFWSA-N 1 1 343.387 0.358 20 30 ECEDMO C[C@@H](O)C[N@@H+](CCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000289985732 266984386 /nfs/dbraw/zinc/98/43/86/266984386.db2.gz YADSYGVSTYXWOA-CYBMUJFWSA-N 1 1 343.387 0.358 20 30 ECEDMO C[C@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000360317556 267132272 /nfs/dbraw/zinc/13/22/72/267132272.db2.gz QNMGCNDTKLFKQJ-KBXCAEBGSA-N 1 1 331.416 0.861 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000375492625 267164704 /nfs/dbraw/zinc/16/47/04/267164704.db2.gz FQPDKHWOPQYRFK-OAHLLOKOSA-N 1 1 330.432 0.563 20 30 ECEDMO N#Cc1ccc(OCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000339026989 268169795 /nfs/dbraw/zinc/16/97/95/268169795.db2.gz GIKJBEGIJIZVFU-OAHLLOKOSA-N 1 1 344.415 0.641 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000528451466 268297505 /nfs/dbraw/zinc/29/75/05/268297505.db2.gz RVJSYADPSWSEBF-HOTGVXAUSA-N 1 1 344.415 0.834 20 30 ECEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)C1=O ZINC000368246457 268303877 /nfs/dbraw/zinc/30/38/77/268303877.db2.gz WXHFHWMRNOLJNR-AGIUHOORSA-N 1 1 330.413 0.793 20 30 ECEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)C1=O ZINC000368246457 268303882 /nfs/dbraw/zinc/30/38/82/268303882.db2.gz WXHFHWMRNOLJNR-AGIUHOORSA-N 1 1 330.413 0.793 20 30 ECEDMO C[NH+](C)[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cccs1 ZINC000336908938 289364178 /nfs/dbraw/zinc/36/41/78/289364178.db2.gz VXJKSDMHVGEFSH-NWDGAFQWSA-N 1 1 344.462 0.410 20 30 ECEDMO CON(C)C(=O)C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000291688425 437619369 /nfs/dbraw/zinc/61/93/69/437619369.db2.gz HIBWXLXYZZKRTQ-UHFFFAOYSA-N 1 1 335.408 0.374 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)C[NH3+])c1 ZINC000190223825 437621679 /nfs/dbraw/zinc/62/16/79/437621679.db2.gz OQDVLHCZADHNTO-UHFFFAOYSA-N 1 1 333.360 0.475 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)C[N@H+]1C1CC1 ZINC000329962695 297320059 /nfs/dbraw/zinc/32/00/59/297320059.db2.gz SHMLYJFYNRZJMN-OLZOCXBDSA-N 1 1 344.481 0.145 20 30 ECEDMO C[C@H](CNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)C[NH+]1CCOCC1 ZINC000328884242 298244356 /nfs/dbraw/zinc/24/43/56/298244356.db2.gz NSUMINAGDKNFDQ-OAGGEKHMSA-N 1 1 340.468 0.274 20 30 ECEDMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000077841685 436256277 /nfs/dbraw/zinc/25/62/77/436256277.db2.gz YUFSBVKHIRLBOL-UHFFFAOYSA-N 1 1 343.431 0.639 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000081230186 436340607 /nfs/dbraw/zinc/34/06/07/436340607.db2.gz JGJJHFUEACYFCU-QGZVFWFLSA-N 1 1 328.416 0.533 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000081230186 436340610 /nfs/dbraw/zinc/34/06/10/436340610.db2.gz JGJJHFUEACYFCU-QGZVFWFLSA-N 1 1 328.416 0.533 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccc(C#N)c2)CC1 ZINC000047975474 436436310 /nfs/dbraw/zinc/43/63/10/436436310.db2.gz MGPYAJTVMXDKOU-INIZCTEOSA-N 1 1 326.400 0.937 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+](CC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000091216563 436444782 /nfs/dbraw/zinc/44/47/82/436444782.db2.gz VOQBNEXNTMBLAY-AWEZNQCLSA-N 1 1 327.450 0.303 20 30 ECEDMO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)O1 ZINC000091553205 436452932 /nfs/dbraw/zinc/45/29/32/436452932.db2.gz YZEUGLBKKFQRRI-KKUMJFAQSA-N 1 1 330.388 0.310 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000089922131 436421867 /nfs/dbraw/zinc/42/18/67/436421867.db2.gz QNULGVHLZHXBAE-UHFFFAOYSA-N 1 1 328.460 0.962 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000089922131 436421871 /nfs/dbraw/zinc/42/18/71/436421871.db2.gz QNULGVHLZHXBAE-UHFFFAOYSA-N 1 1 328.460 0.962 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000090010986 436427033 /nfs/dbraw/zinc/42/70/33/436427033.db2.gz DNHFLNCPYNJLNK-UHFFFAOYSA-N 1 1 330.432 0.885 20 30 ECEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000052306129 436506032 /nfs/dbraw/zinc/50/60/32/436506032.db2.gz IKIJRBPSOKLTQA-BETUJISGSA-N 1 1 333.436 0.736 20 30 ECEDMO N#CCSc1ccccc1NC(=O)CN1CC[NH+](CCO)CC1 ZINC000098068859 436545877 /nfs/dbraw/zinc/54/58/77/436545877.db2.gz KQUWPYVZLZYQSJ-UHFFFAOYSA-N 1 1 334.445 0.851 20 30 ECEDMO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCCCC#N)CC2)C[C@H](C)O1 ZINC000102397069 436552270 /nfs/dbraw/zinc/55/22/70/436552270.db2.gz QYADTKAHRIZCDE-GJZGRUSLSA-N 1 1 344.481 0.652 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000104188386 436557792 /nfs/dbraw/zinc/55/77/92/436557792.db2.gz NBPKSWRJDNNFBG-ZDUSSCGKSA-N 1 1 337.445 0.832 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109751678 436626456 /nfs/dbraw/zinc/62/64/56/436626456.db2.gz INRMVWABHHHTAQ-OAHLLOKOSA-N 1 1 337.468 0.100 20 30 ECEDMO CCc1nn(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c(=O)c(C#N)c1CC ZINC000106363335 436593350 /nfs/dbraw/zinc/59/33/50/436593350.db2.gz CGPDCTHGBSKHFS-MGPQQGTHSA-N 1 1 348.447 0.710 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000108459081 436619049 /nfs/dbraw/zinc/61/90/49/436619049.db2.gz CZIDPTKSCHKRDD-INIZCTEOSA-N 1 1 326.400 0.889 20 30 ECEDMO CC[N@@H+](C)CCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 ZINC000112925415 436635641 /nfs/dbraw/zinc/63/56/41/436635641.db2.gz AVRSFCWBDYDDAY-UHFFFAOYSA-N 1 1 338.433 0.478 20 30 ECEDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCO[C@H](C#N)C1 ZINC000114720688 436643134 /nfs/dbraw/zinc/64/31/34/436643134.db2.gz ZZTFJDDCIGXIFM-BPQIPLTHSA-N 1 1 342.443 0.990 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000270419128 436672513 /nfs/dbraw/zinc/67/25/13/436672513.db2.gz TVPURFFMXNZWHK-UHFFFAOYSA-N 1 1 328.416 0.989 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120184182 436681326 /nfs/dbraw/zinc/68/13/26/436681326.db2.gz LQLOURZDIMKTBF-CYBMUJFWSA-N 1 1 336.436 0.864 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000124344341 436748667 /nfs/dbraw/zinc/74/86/67/436748667.db2.gz RLWNGQRHBYBSDT-QMTHXVAHSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000124344341 436748671 /nfs/dbraw/zinc/74/86/71/436748671.db2.gz RLWNGQRHBYBSDT-QMTHXVAHSA-N 1 1 334.351 0.471 20 30 ECEDMO CCCCNC(=O)NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153318810 436754225 /nfs/dbraw/zinc/75/42/25/436754225.db2.gz NWTHDZZUIFSBMK-UHFFFAOYSA-N 1 1 335.412 0.354 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000245461303 436761777 /nfs/dbraw/zinc/76/17/77/436761777.db2.gz MYADJSLQQLVALV-DLBZAZTESA-N 1 1 328.416 0.554 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000245461303 436761780 /nfs/dbraw/zinc/76/17/80/436761780.db2.gz MYADJSLQQLVALV-DLBZAZTESA-N 1 1 328.416 0.554 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000245942515 436770370 /nfs/dbraw/zinc/77/03/70/436770370.db2.gz AYYMXWRDNYYMKQ-ZWKOTPCHSA-N 1 1 347.507 0.849 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000069501877 436776697 /nfs/dbraw/zinc/77/66/97/436776697.db2.gz SDZDMFLSWAAYQX-INIZCTEOSA-N 1 1 344.415 0.515 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246697641 436784904 /nfs/dbraw/zinc/78/49/04/436784904.db2.gz WYPQGWGAKAUJSB-GXTWGEPZSA-N 1 1 334.420 0.474 20 30 ECEDMO COc1cccc([C@@H](CNS(=O)(=O)N(C)CCC#N)[NH+](C)C)c1 ZINC000247988963 436799790 /nfs/dbraw/zinc/79/97/90/436799790.db2.gz LAUAAMFHGJOBSH-OAHLLOKOSA-N 1 1 340.449 0.978 20 30 ECEDMO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000279777321 436841205 /nfs/dbraw/zinc/84/12/05/436841205.db2.gz UAXLWVNZOWXDPU-NVXWUHKLSA-N 1 1 333.432 0.950 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000293198111 436855770 /nfs/dbraw/zinc/85/57/70/436855770.db2.gz AFSCZJNZGSNCST-UHFFFAOYSA-N 1 1 344.371 0.027 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000293203391 436857182 /nfs/dbraw/zinc/85/71/82/436857182.db2.gz APSNIQRBKUEVDE-UHFFFAOYSA-N 1 1 339.399 0.882 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000293225987 436858417 /nfs/dbraw/zinc/85/84/17/436858417.db2.gz BYQHCPUDEJIFFD-UHFFFAOYSA-N 1 1 328.416 0.642 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000160076597 436869292 /nfs/dbraw/zinc/86/92/92/436869292.db2.gz YYQRVJCARQTQID-ZDUSSCGKSA-N 1 1 338.433 0.572 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000160076597 436869295 /nfs/dbraw/zinc/86/92/95/436869295.db2.gz YYQRVJCARQTQID-ZDUSSCGKSA-N 1 1 338.433 0.572 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249525979 436822862 /nfs/dbraw/zinc/82/28/62/436822862.db2.gz YHQUSCGAIVSVJY-ZOBUZTSGSA-N 1 1 333.432 0.685 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC000293944821 436921504 /nfs/dbraw/zinc/92/15/04/436921504.db2.gz JJZNMKLEVKMBKK-UHFFFAOYSA-N 1 1 342.399 0.564 20 30 ECEDMO CC[NH+]=C(NCc1cn[nH]c1C)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261637994 436881900 /nfs/dbraw/zinc/88/19/00/436881900.db2.gz DAIPTRKHYFRRFM-UHFFFAOYSA-N 1 1 335.456 0.065 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1nnn(Cc2cc(C)no2)c1C ZINC000294006810 436927447 /nfs/dbraw/zinc/92/74/47/436927447.db2.gz PFYXKKLMVQGIKM-UHFFFAOYSA-N 1 1 330.392 0.616 20 30 ECEDMO C=CCN1CC[C@H](N(C)CC[N@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281493814 436974545 /nfs/dbraw/zinc/97/45/45/436974545.db2.gz XOTQCIBIFVQZLR-HOTGVXAUSA-N 1 1 334.464 0.424 20 30 ECEDMO C=CCN1CC[C@H](N(C)CC[N@@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281493814 436974550 /nfs/dbraw/zinc/97/45/50/436974550.db2.gz XOTQCIBIFVQZLR-HOTGVXAUSA-N 1 1 334.464 0.424 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)cnc1OCC ZINC000296342796 436989924 /nfs/dbraw/zinc/98/99/24/436989924.db2.gz UNNJCCWXILRXGB-UHFFFAOYSA-N 1 1 332.404 0.799 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)nc1 ZINC000171883355 436992433 /nfs/dbraw/zinc/99/24/33/436992433.db2.gz ARDJHRQJXHSTIE-OAHLLOKOSA-N 1 1 329.404 0.059 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000296896596 436997705 /nfs/dbraw/zinc/99/77/05/436997705.db2.gz MQUHGHJZKICZRX-JKSUJKDBSA-N 1 1 347.463 0.830 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)C1=O ZINC000296781995 436997888 /nfs/dbraw/zinc/99/78/88/436997888.db2.gz QGFAWQYMGLWLGA-CHWSQXEVSA-N 1 1 327.425 0.591 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[N@@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000282101304 437010229 /nfs/dbraw/zinc/01/02/29/437010229.db2.gz WBDKFAOAIKXRBW-IRXDYDNUSA-N 1 1 346.475 0.568 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[N@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000282101304 437010231 /nfs/dbraw/zinc/01/02/31/437010231.db2.gz WBDKFAOAIKXRBW-IRXDYDNUSA-N 1 1 346.475 0.568 20 30 ECEDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000276044420 437049152 /nfs/dbraw/zinc/04/91/52/437049152.db2.gz SHZCKTBRVQRLLJ-AWEZNQCLSA-N 1 1 326.400 0.857 20 30 ECEDMO C[N@H+]1CC[C@@H]2OCCN(C[C@H](O)COc3ccc(C#N)cc3)[C@H]2C1 ZINC000284752672 437071159 /nfs/dbraw/zinc/07/11/59/437071159.db2.gz FMLRRMFAGGJLNR-SZMVWBNQSA-N 1 1 331.416 0.703 20 30 ECEDMO COCCOCCOCC[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000276263212 437080064 /nfs/dbraw/zinc/08/00/64/437080064.db2.gz PBZBBCJDOMQEFQ-UHFFFAOYSA-N 1 1 349.431 0.786 20 30 ECEDMO COCCOCCOCC[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000276263212 437080068 /nfs/dbraw/zinc/08/00/68/437080068.db2.gz PBZBBCJDOMQEFQ-UHFFFAOYSA-N 1 1 349.431 0.786 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)CC1 ZINC000304755491 437160263 /nfs/dbraw/zinc/16/02/63/437160263.db2.gz ZIIQPOPLFVCOJL-LJQANCHMSA-N 1 1 341.455 0.746 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)NCCC[NH+]1CCOCC1 ZINC000276813773 437163063 /nfs/dbraw/zinc/16/30/63/437163063.db2.gz ULIFYLALHCBMFG-UHFFFAOYSA-N 1 1 333.388 0.784 20 30 ECEDMO C[C@H]1CCC[N@@H+](CCNC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC000265396399 437121428 /nfs/dbraw/zinc/12/14/28/437121428.db2.gz GJWFIGOTLKFNHW-WPCFGXOUSA-N 1 1 334.420 0.751 20 30 ECEDMO CN1C(=O)CC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1=O ZINC000322078450 437216456 /nfs/dbraw/zinc/21/64/56/437216456.db2.gz OOXYLYDESLADFX-CYBMUJFWSA-N 1 1 335.385 0.069 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179511654 437266088 /nfs/dbraw/zinc/26/60/88/437266088.db2.gz HCCQYAZNPNBPDW-LBPRGKRZSA-N 1 1 332.408 0.873 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)C[C@H](C)C2=O)C1 ZINC000328827515 437269124 /nfs/dbraw/zinc/26/91/24/437269124.db2.gz ILPLZEMVHWSNMX-QWHCGFSZSA-N 1 1 325.409 0.695 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000328075126 437236118 /nfs/dbraw/zinc/23/61/18/437236118.db2.gz FLENTGQJQQBRDL-UHFFFAOYSA-N 1 1 327.381 0.158 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000266824082 437250510 /nfs/dbraw/zinc/25/05/10/437250510.db2.gz LXBPPZIEBITTPQ-VCHHOEMESA-N 1 1 335.408 0.296 20 30 ECEDMO C[N@@H+]1CCN(C(=O)NCCn2cnc(C#N)n2)[C@@H](c2ccccc2)C1 ZINC000287921980 437254279 /nfs/dbraw/zinc/25/42/79/437254279.db2.gz QXUZHHOTTIMTEA-OAHLLOKOSA-N 1 1 339.403 0.848 20 30 ECEDMO C[N@H+]1CCN(C(=O)NCCn2cnc(C#N)n2)[C@@H](c2ccccc2)C1 ZINC000287921980 437254281 /nfs/dbraw/zinc/25/42/81/437254281.db2.gz QXUZHHOTTIMTEA-OAHLLOKOSA-N 1 1 339.403 0.848 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CSC2(C)C)CC1 ZINC000328710119 437254919 /nfs/dbraw/zinc/25/49/19/437254919.db2.gz BPSBJDGOKFVEBX-LBPRGKRZSA-N 1 1 328.482 0.890 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(CC(=O)NCC(=O)N3CCCC3)[C@H]2C1 ZINC000328745338 437259366 /nfs/dbraw/zinc/25/93/66/437259366.db2.gz ACMVHRXFTLPJLI-LSDHHAIUSA-N 1 1 338.452 0.360 20 30 ECEDMO Cn1cc[nH+]c1N1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 ZINC000328773564 437262864 /nfs/dbraw/zinc/26/28/64/437262864.db2.gz RURUIVAHRKTAJN-UHFFFAOYSA-N 1 1 341.437 0.381 20 30 ECEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000336901228 437307410 /nfs/dbraw/zinc/30/74/10/437307410.db2.gz BVRNZDMMKGOJOF-ZNMIVQPWSA-N 1 1 344.481 0.413 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000336916409 437309198 /nfs/dbraw/zinc/30/91/98/437309198.db2.gz NGJMVFBRNJLWFO-CABCVRRESA-N 1 1 346.497 0.659 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000336916409 437309200 /nfs/dbraw/zinc/30/92/00/437309200.db2.gz NGJMVFBRNJLWFO-CABCVRRESA-N 1 1 346.497 0.659 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000181246392 437314619 /nfs/dbraw/zinc/31/46/19/437314619.db2.gz MIRCJQUKXKDYQG-ZDUSSCGKSA-N 1 1 339.461 0.889 20 30 ECEDMO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCCS(=O)(=O)CC1 ZINC000328974699 437296417 /nfs/dbraw/zinc/29/64/17/437296417.db2.gz BBKUEPFJWQKCCW-GFCCVEGCSA-N 1 1 328.438 0.862 20 30 ECEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCCS(=O)(=O)CC1 ZINC000328974699 437296424 /nfs/dbraw/zinc/29/64/24/437296424.db2.gz BBKUEPFJWQKCCW-GFCCVEGCSA-N 1 1 328.438 0.862 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000334095893 437297722 /nfs/dbraw/zinc/29/77/22/437297722.db2.gz RUWLOBJNHBXSJJ-KFWWJZLASA-N 1 1 336.436 0.278 20 30 ECEDMO NS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000329286138 437346496 /nfs/dbraw/zinc/34/64/96/437346496.db2.gz GTEIUVBWBWTUDZ-SECBINFHSA-N 1 1 344.462 0.636 20 30 ECEDMO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329321447 437351461 /nfs/dbraw/zinc/35/14/61/437351461.db2.gz UMQNROMCUJROMV-GXSJLCMTSA-N 1 1 334.342 0.890 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000278957833 437360783 /nfs/dbraw/zinc/36/07/83/437360783.db2.gz WGLHAOLXERSZGM-IBGZPJMESA-N 1 1 345.443 0.774 20 30 ECEDMO Cc1ccc2c(c1)C(=O)N(CC(=O)NC[C@@H]1CN(C)CCN1C)C2=O ZINC000329402718 437364492 /nfs/dbraw/zinc/36/44/92/437364492.db2.gz ZMTYUMPSDZCTOP-CYBMUJFWSA-N 1 1 344.415 0.793 20 30 ECEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NC3CCN(S(C)(=O)=O)CC3)[C@@H]2C1 ZINC000329416054 437366371 /nfs/dbraw/zinc/36/63/71/437366371.db2.gz FNZFNVBNIKEVJA-TZMCWYRMSA-N 1 1 344.481 0.350 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCCCCn1cc[nH+]c1C ZINC000337069989 437326355 /nfs/dbraw/zinc/32/63/55/437326355.db2.gz NSARPELERUBYCU-UHFFFAOYSA-N 1 1 343.453 0.668 20 30 ECEDMO CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000329155987 437327277 /nfs/dbraw/zinc/32/72/77/437327277.db2.gz CNFWVPIJJXHSSL-SMDDNHRTSA-N 1 1 344.481 0.602 20 30 ECEDMO C[C@H](NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1)C(=O)N1CCCCC1 ZINC000329211870 437336003 /nfs/dbraw/zinc/33/60/03/437336003.db2.gz ZNWKERJALJCVAI-XHDPSFHLSA-N 1 1 326.397 0.316 20 30 ECEDMO C[C@H](NC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1)C(=O)N1CCCCC1 ZINC000329211870 437336005 /nfs/dbraw/zinc/33/60/05/437336005.db2.gz ZNWKERJALJCVAI-XHDPSFHLSA-N 1 1 326.397 0.316 20 30 ECEDMO COCC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CC1 ZINC000329732881 437406990 /nfs/dbraw/zinc/40/69/90/437406990.db2.gz JELUCESLBJKNLS-LBPRGKRZSA-N 1 1 333.454 0.130 20 30 ECEDMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000329766511 437411694 /nfs/dbraw/zinc/41/16/94/437411694.db2.gz YGLGHZRHYSDTCQ-HLLBOEOZSA-N 1 1 341.452 0.627 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)N(S(C)(=O)=O)C1 ZINC000329897816 437427129 /nfs/dbraw/zinc/42/71/29/437427129.db2.gz LQMPYHMDEKRLMC-FPMFFAJLSA-N 1 1 345.465 0.642 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C[C@@H]1[NH+]1CCOCC1 ZINC000329897449 437428023 /nfs/dbraw/zinc/42/80/23/437428023.db2.gz CWMNSQNASNOVJE-ZOBORPQBSA-N 1 1 340.424 0.636 20 30 ECEDMO CN(C)C(=O)CCN1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000329910970 437430893 /nfs/dbraw/zinc/43/08/93/437430893.db2.gz AGZIRXCLRBQZIU-CQSZACIVSA-N 1 1 325.457 0.091 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000337760876 437379285 /nfs/dbraw/zinc/37/92/85/437379285.db2.gz KDIFINHBGCHCRE-ZIAGYGMSSA-N 1 1 332.470 0.556 20 30 ECEDMO CCO[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)CC2)[C@]12CCCO2 ZINC000329575298 437384940 /nfs/dbraw/zinc/38/49/40/437384940.db2.gz VNTGTQKSSIPPHT-LJIGWXMPSA-N 1 1 341.452 0.625 20 30 ECEDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC#Cc1cccc(F)c1 ZINC000338039786 437386305 /nfs/dbraw/zinc/38/63/05/437386305.db2.gz LOCDRNOUTQFKJY-MRXNPFEDSA-N 1 1 346.406 0.816 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000337969889 437387171 /nfs/dbraw/zinc/38/71/71/437387171.db2.gz LEAHGOYVYRAYRV-ZDUSSCGKSA-N 1 1 332.470 0.244 20 30 ECEDMO C[C@@H](CC#N)[N@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000268263338 437391225 /nfs/dbraw/zinc/39/12/25/437391225.db2.gz AHVXNCVGITYLCE-LBPRGKRZSA-N 1 1 335.408 0.896 20 30 ECEDMO C[C@@H](CC#N)[N@@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000268263338 437391229 /nfs/dbraw/zinc/39/12/29/437391229.db2.gz AHVXNCVGITYLCE-LBPRGKRZSA-N 1 1 335.408 0.896 20 30 ECEDMO CS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000329916665 437431147 /nfs/dbraw/zinc/43/11/47/437431147.db2.gz ZAMUKVSCGPYLLM-ZIAGYGMSSA-N 1 1 344.481 0.147 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000329621225 437393526 /nfs/dbraw/zinc/39/35/26/437393526.db2.gz FOGUFUMVTDKMEZ-LUKYLMHMSA-N 1 1 334.464 0.381 20 30 ECEDMO C=CC[C@H](CO)NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183865391 437394118 /nfs/dbraw/zinc/39/41/18/437394118.db2.gz IZQXBBWWEAOWAZ-SJORKVTESA-N 1 1 333.432 0.989 20 30 ECEDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCO[C@@H](CO)C1 ZINC000330249812 437474452 /nfs/dbraw/zinc/47/44/52/437474452.db2.gz GVWUTOGWKZLLNX-OAHLLOKOSA-N 1 1 341.452 0.629 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330318695 437482030 /nfs/dbraw/zinc/48/20/30/437482030.db2.gz CPLODKCNBSOKIV-STQMWFEESA-N 1 1 349.439 0.412 20 30 ECEDMO CC[N@@H+]1CCC[C@H]([NH+]=C([O-])N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330318695 437482034 /nfs/dbraw/zinc/48/20/34/437482034.db2.gz CPLODKCNBSOKIV-STQMWFEESA-N 1 1 349.439 0.412 20 30 ECEDMO CC[N@H+]1CCC[C@H]([NH+]=C([O-])N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330318695 437482037 /nfs/dbraw/zinc/48/20/37/437482037.db2.gz CPLODKCNBSOKIV-STQMWFEESA-N 1 1 349.439 0.412 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CC[N@@H+](C)C2CC2)CC1 ZINC000186734730 437482595 /nfs/dbraw/zinc/48/25/95/437482595.db2.gz KXTJXHUHWORZSB-KRWDZBQOSA-N 1 1 335.496 0.705 20 30 ECEDMO O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000329941469 437434538 /nfs/dbraw/zinc/43/45/38/437434538.db2.gz GRHLENKEDGKVDT-CQSZACIVSA-N 1 1 329.466 0.690 20 30 ECEDMO O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000329941469 437434543 /nfs/dbraw/zinc/43/45/43/437434543.db2.gz GRHLENKEDGKVDT-CQSZACIVSA-N 1 1 329.466 0.690 20 30 ECEDMO CS(=O)(=O)N1CCC[C@@H](NC(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000329975972 437439292 /nfs/dbraw/zinc/43/92/92/437439292.db2.gz YHPXFIQDLQQFDI-CYBMUJFWSA-N 1 1 330.454 0.176 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCC(=O)N2CCOCC2)C[C@@H]1C ZINC000330160605 437461485 /nfs/dbraw/zinc/46/14/85/437461485.db2.gz SELHJVWIVCZCDU-GJZGRUSLSA-N 1 1 340.468 0.954 20 30 ECEDMO CN1C[C@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1=O ZINC000330154906 437461779 /nfs/dbraw/zinc/46/17/79/437461779.db2.gz YAERXVCFCSHDJK-CABCVRRESA-N 1 1 337.468 0.233 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330196995 437467593 /nfs/dbraw/zinc/46/75/93/437467593.db2.gz REJXIFIMECOSQB-KGLIPLIRSA-N 1 1 346.497 0.741 20 30 ECEDMO CCC[N@H+]1CC[C@H](CNC(=O)N2CCC(S(N)(=O)=O)CC2)C1 ZINC000330381107 437495431 /nfs/dbraw/zinc/49/54/31/437495431.db2.gz IBILRHIUNFTZDX-GFCCVEGCSA-N 1 1 332.470 0.385 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000330391930 437499805 /nfs/dbraw/zinc/49/98/05/437499805.db2.gz PMPPMSVNIZCJIA-NSHDSACASA-N 1 1 328.442 0.302 20 30 ECEDMO COC(=O)[C@]1(C)CN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000330403581 437501898 /nfs/dbraw/zinc/50/18/98/437501898.db2.gz VNHCQRMVDAGCCE-JJRVBVJISA-N 1 1 341.452 1.000 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000330422245 437507603 /nfs/dbraw/zinc/50/76/03/437507603.db2.gz YLVRPLNWHJRPBU-FQUUOJAGSA-N 1 1 325.409 0.453 20 30 ECEDMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)N(C)CCC#N)[C@@H](C)C1 ZINC000360059806 437511639 /nfs/dbraw/zinc/51/16/39/437511639.db2.gz JJMPAVDUDBYFOA-GJZGRUSLSA-N 1 1 346.497 0.803 20 30 ECEDMO C[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1CCO ZINC000187715918 437513598 /nfs/dbraw/zinc/51/35/98/437513598.db2.gz GNVGNZBICOYMAN-INIZCTEOSA-N 1 1 330.432 0.932 20 30 ECEDMO C[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[N@H+]1CCO ZINC000187715918 437513603 /nfs/dbraw/zinc/51/36/03/437513603.db2.gz GNVGNZBICOYMAN-INIZCTEOSA-N 1 1 330.432 0.932 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000343169370 437522164 /nfs/dbraw/zinc/52/21/64/437522164.db2.gz LADCYQMJJDLHHA-UHFFFAOYSA-N 1 1 347.394 0.390 20 30 ECEDMO CC[C@H]1CN(C(=O)Nc2cc(COC)ncn2)CC[N@H+]1C[C@@H](C)O ZINC000330638479 437575425 /nfs/dbraw/zinc/57/54/25/437575425.db2.gz CTPXKYSBEYDOIE-OCCSQVGLSA-N 1 1 337.424 0.946 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000340151922 437586400 /nfs/dbraw/zinc/58/64/00/437586400.db2.gz ZAPSVHMCYNCMFF-MRXNPFEDSA-N 1 1 344.415 0.401 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)n1 ZINC000343469659 437589615 /nfs/dbraw/zinc/58/96/15/437589615.db2.gz OIWFINVMBBBPPD-TXEJJXNPSA-N 1 1 332.408 0.825 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n1 ZINC000343469659 437589618 /nfs/dbraw/zinc/58/96/18/437589618.db2.gz OIWFINVMBBBPPD-TXEJJXNPSA-N 1 1 332.408 0.825 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000343739808 437641982 /nfs/dbraw/zinc/64/19/82/437641982.db2.gz NEIYXXIJAAOYTK-GDBMZVCRSA-N 1 1 336.480 0.552 20 30 ECEDMO Cc1cc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)n2ncnc2n1 ZINC000191228327 437652708 /nfs/dbraw/zinc/65/27/08/437652708.db2.gz GLQNYNGJOVNORH-UHFFFAOYSA-N 1 1 336.403 0.965 20 30 ECEDMO CC(C)CNC(=O)NC(=O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000330949697 437655756 /nfs/dbraw/zinc/65/57/56/437655756.db2.gz JPGFRENXAGFPFJ-UHFFFAOYSA-N 1 1 348.469 0.028 20 30 ECEDMO CC[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192374262 437675182 /nfs/dbraw/zinc/67/51/82/437675182.db2.gz ZDWYBGJIYDBPJR-INIZCTEOSA-N 1 1 343.431 0.910 20 30 ECEDMO C[N@@H+](CCO)C1CCN(C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000331108257 437690373 /nfs/dbraw/zinc/69/03/73/437690373.db2.gz HQENMUDFZPMUSF-UHFFFAOYSA-N 1 1 342.484 0.400 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1 ZINC000343928550 437700482 /nfs/dbraw/zinc/70/04/82/437700482.db2.gz VUWYQUVDYPXVFY-NVXWUHKLSA-N 1 1 348.491 0.696 20 30 ECEDMO CC(C)N1C[C@@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC000331213664 437718120 /nfs/dbraw/zinc/71/81/20/437718120.db2.gz MDMRSBJLKDHGQO-AWEZNQCLSA-N 1 1 340.468 0.952 20 30 ECEDMO CC(C)N1C[C@@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC000331213664 437718124 /nfs/dbraw/zinc/71/81/24/437718124.db2.gz MDMRSBJLKDHGQO-AWEZNQCLSA-N 1 1 340.468 0.952 20 30 ECEDMO C=CCOCCNC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000370357754 437771204 /nfs/dbraw/zinc/77/12/04/437771204.db2.gz CYOAPFIBSUVDNM-UHFFFAOYSA-N 1 1 340.468 0.775 20 30 ECEDMO C=CCOCCNC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000370357754 437771211 /nfs/dbraw/zinc/77/12/11/437771211.db2.gz CYOAPFIBSUVDNM-UHFFFAOYSA-N 1 1 340.468 0.775 20 30 ECEDMO C[C@@H](Oc1ccccc1C#N)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340998329 437772496 /nfs/dbraw/zinc/77/24/96/437772496.db2.gz SYCFVYSMOQCBJE-UKRRQHHQSA-N 1 1 344.415 0.782 20 30 ECEDMO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000340805051 437739972 /nfs/dbraw/zinc/73/99/72/437739972.db2.gz VVYCIFZFTUGCKK-HOTGVXAUSA-N 1 1 338.496 0.847 20 30 ECEDMO CC(C)NS(=O)(=O)CCNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000331318004 437740200 /nfs/dbraw/zinc/74/02/00/437740200.db2.gz JYGXRTUQDCTBLB-CYBMUJFWSA-N 1 1 348.513 0.938 20 30 ECEDMO N#CCCCCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000346868828 437823740 /nfs/dbraw/zinc/82/37/40/437823740.db2.gz IMUJWMFEWDEWEG-HNNXBMFYSA-N 1 1 336.436 0.510 20 30 ECEDMO CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)Nc1ccn(CCC#N)n1 ZINC000364902848 437825089 /nfs/dbraw/zinc/82/50/89/437825089.db2.gz DRPLJHOEPQYDRH-UHFFFAOYSA-N 1 1 341.419 1.474 20 30 ECEDMO CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)Nc1ccn(CCC#N)n1 ZINC000364902848 437825096 /nfs/dbraw/zinc/82/50/96/437825096.db2.gz DRPLJHOEPQYDRH-UHFFFAOYSA-N 1 1 341.419 1.474 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000363901782 437808533 /nfs/dbraw/zinc/80/85/33/437808533.db2.gz ZTQRRMZSVAJPAB-CYBMUJFWSA-N 1 1 335.408 0.736 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000363901782 437808538 /nfs/dbraw/zinc/80/85/38/437808538.db2.gz ZTQRRMZSVAJPAB-CYBMUJFWSA-N 1 1 335.408 0.736 20 30 ECEDMO N#CCc1cccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000371029666 437869616 /nfs/dbraw/zinc/86/96/16/437869616.db2.gz YGZIPOOXCOETPV-SFHVURJKSA-N 1 1 342.443 0.889 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371019168 437869677 /nfs/dbraw/zinc/86/96/77/437869677.db2.gz QGXSWQIQNOXCDU-KBPBESRZSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000371019168 437869682 /nfs/dbraw/zinc/86/96/82/437869682.db2.gz QGXSWQIQNOXCDU-KBPBESRZSA-N 1 1 339.392 0.839 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000364986320 437840091 /nfs/dbraw/zinc/84/00/91/437840091.db2.gz RARAACSEWWSHMR-AWEZNQCLSA-N 1 1 329.400 0.522 20 30 ECEDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)[C@@H](C)C1 ZINC000356841644 437846030 /nfs/dbraw/zinc/84/60/30/437846030.db2.gz KIWBVNQGOXCGJK-LBPRGKRZSA-N 1 1 332.408 0.827 20 30 ECEDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)[C@@H](C)C1 ZINC000356841644 437846033 /nfs/dbraw/zinc/84/60/33/437846033.db2.gz KIWBVNQGOXCGJK-LBPRGKRZSA-N 1 1 332.408 0.827 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371306200 437917177 /nfs/dbraw/zinc/91/71/77/437917177.db2.gz SJVLMUYIWDOZOU-RDJZCZTQSA-N 1 1 335.496 0.847 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371306200 437917182 /nfs/dbraw/zinc/91/71/82/437917182.db2.gz SJVLMUYIWDOZOU-RDJZCZTQSA-N 1 1 335.496 0.847 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000347520147 437901073 /nfs/dbraw/zinc/90/10/73/437901073.db2.gz IRLLAASRXXHXDK-INIZCTEOSA-N 1 1 334.420 0.912 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000342029792 437948010 /nfs/dbraw/zinc/94/80/10/437948010.db2.gz XBIDIFSAKOXTMN-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO C[C@@H](CO)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000342084042 437961327 /nfs/dbraw/zinc/96/13/27/437961327.db2.gz QQTAROAOWZIWQA-YOEHRIQHSA-N 1 1 348.422 0.847 20 30 ECEDMO C=CCOCCC[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000348167588 438024122 /nfs/dbraw/zinc/02/41/22/438024122.db2.gz KKNZGQKJVBVSPK-OAHLLOKOSA-N 1 1 334.482 0.952 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000425484307 438027346 /nfs/dbraw/zinc/02/73/46/438027346.db2.gz VMKZKLKSXJLMNS-AWEZNQCLSA-N 1 1 335.456 0.147 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000427717550 438083668 /nfs/dbraw/zinc/08/36/68/438083668.db2.gz CKWBYUGJPMTRTN-ZIAGYGMSSA-N 1 1 332.466 0.545 20 30 ECEDMO CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372370355 438077486 /nfs/dbraw/zinc/07/74/86/438077486.db2.gz QPVXEBFTSKRWAP-MJGOQNOKSA-N 1 1 347.507 0.895 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000430372073 438111547 /nfs/dbraw/zinc/11/15/47/438111547.db2.gz FJYHERJGZSGSNK-OAGGEKHMSA-N 1 1 337.464 0.932 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+](C)CCCC ZINC000357975535 438113307 /nfs/dbraw/zinc/11/33/07/438113307.db2.gz POXCLFUOZFCQJG-LSDHHAIUSA-N 1 1 325.453 0.932 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000366830592 438135543 /nfs/dbraw/zinc/13/55/43/438135543.db2.gz RBKTVLDGERLQGX-INIZCTEOSA-N 1 1 338.452 0.170 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000366830592 438135544 /nfs/dbraw/zinc/13/55/44/438135544.db2.gz RBKTVLDGERLQGX-INIZCTEOSA-N 1 1 338.452 0.170 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000431971426 438178695 /nfs/dbraw/zinc/17/86/95/438178695.db2.gz UAYVSTMNYWSLJQ-AWEZNQCLSA-N 1 1 329.404 0.167 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2C)C1 ZINC000431975515 438178706 /nfs/dbraw/zinc/17/87/06/438178706.db2.gz XHQSAARZIQGKAV-AWEZNQCLSA-N 1 1 330.388 0.642 20 30 ECEDMO N#Cc1cc([N+](=O)[O-])cnc1NCCCCN1CC[NH+](CCO)CC1 ZINC000358221817 438186143 /nfs/dbraw/zinc/18/61/43/438186143.db2.gz JMNAKEIPVWHYIX-UHFFFAOYSA-N 1 1 348.407 0.663 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000374583172 438218853 /nfs/dbraw/zinc/21/88/53/438218853.db2.gz HARNITPXQBVJOV-ILXRZTDVSA-N 1 1 344.481 0.386 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350181164 438201529 /nfs/dbraw/zinc/20/15/29/438201529.db2.gz LCPDKTUOAPGURH-GJZGRUSLSA-N 1 1 340.468 0.819 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000376864846 438296220 /nfs/dbraw/zinc/29/62/20/438296220.db2.gz RAFCCLPYQXJGOI-AWEZNQCLSA-N 1 1 337.468 0.099 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000376864846 438296226 /nfs/dbraw/zinc/29/62/26/438296226.db2.gz RAFCCLPYQXJGOI-AWEZNQCLSA-N 1 1 337.468 0.099 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](CN2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC000376185529 438272794 /nfs/dbraw/zinc/27/27/94/438272794.db2.gz CFJNKNHSWMBXDL-MRXNPFEDSA-N 1 1 330.436 0.499 20 30 ECEDMO CC[N@H+]1CCO[C@@H](CN2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC000376185529 438272798 /nfs/dbraw/zinc/27/27/98/438272798.db2.gz CFJNKNHSWMBXDL-MRXNPFEDSA-N 1 1 330.436 0.499 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC(=O)NCC#N ZINC000376310941 438277675 /nfs/dbraw/zinc/27/76/75/438277675.db2.gz SJBMGFZDJWOJRG-GDBMZVCRSA-N 1 1 343.431 0.836 20 30 ECEDMO C[C@H](NC(=O)NCC(=O)NCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376310301 438278208 /nfs/dbraw/zinc/27/82/08/438278208.db2.gz QKOAOQYZCRWKNK-GOEBONIOSA-N 1 1 343.431 0.836 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3noc(CC)n3)C[C@H]2C1 ZINC000377430571 438310611 /nfs/dbraw/zinc/31/06/11/438310611.db2.gz FDKGLRSGFISVLF-MCIONIFRSA-N 1 1 333.436 0.686 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000377554542 438312324 /nfs/dbraw/zinc/31/23/24/438312324.db2.gz XCKYSPLRGJYKMU-YJBOKZPZSA-N 1 1 349.479 0.455 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)n1 ZINC000359055549 438350259 /nfs/dbraw/zinc/35/02/59/438350259.db2.gz JQFHZDLNGDEOOM-UHFFFAOYSA-N 1 1 334.424 1.121 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000368619490 438354546 /nfs/dbraw/zinc/35/45/46/438354546.db2.gz PJWKKKLONZASRF-ZIAGYGMSSA-N 1 1 347.423 0.092 20 30 ECEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCN[C@@H](C)C1)C(C)C ZINC000419563434 438362742 /nfs/dbraw/zinc/36/27/42/438362742.db2.gz BBBSLDQIGGTMFO-HOTGVXAUSA-N 1 1 336.480 0.622 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCNC[C@@H]2CCC)CC1 ZINC000419691854 438367279 /nfs/dbraw/zinc/36/72/79/438367279.db2.gz APHFFHCTCQEXKB-INIZCTEOSA-N 1 1 336.480 0.744 20 30 ECEDMO C[NH+]1CCN(c2ncc(CNc3n[nH]c(C4CC4)c3C#N)cn2)CC1 ZINC000419785166 438371514 /nfs/dbraw/zinc/37/15/14/438371514.db2.gz WAEWVBDTJGAJAE-UHFFFAOYSA-N 1 1 338.419 1.313 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(Cc2noc(CC)n2)C1 ZINC000369245884 438443516 /nfs/dbraw/zinc/44/35/16/438443516.db2.gz ULEIUVVAFGFFPZ-ZIAGYGMSSA-N 1 1 333.436 0.666 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)N1CCO[C@H](C#N)C1 ZINC000369403996 438467760 /nfs/dbraw/zinc/46/77/60/438467760.db2.gz XWSZQJZZOXJTMJ-QKPAOTATSA-N 1 1 336.436 0.810 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000407971383 438474689 /nfs/dbraw/zinc/47/46/89/438474689.db2.gz AWBNJSVRNRUUIK-QWHCGFSZSA-N 1 1 332.470 0.242 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000407971383 438474693 /nfs/dbraw/zinc/47/46/93/438474693.db2.gz AWBNJSVRNRUUIK-QWHCGFSZSA-N 1 1 332.470 0.242 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000437993219 438461834 /nfs/dbraw/zinc/46/18/34/438461834.db2.gz DGAMQDZTGXNOTN-HOCLYGCPSA-N 1 1 338.452 0.431 20 30 ECEDMO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC(O)C1 ZINC000353497732 438506539 /nfs/dbraw/zinc/50/65/39/438506539.db2.gz SROLFAZCNYHSBM-NRXISQOPSA-N 1 1 348.472 0.912 20 30 ECEDMO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC(O)C1 ZINC000353497732 438506544 /nfs/dbraw/zinc/50/65/44/438506544.db2.gz SROLFAZCNYHSBM-NRXISQOPSA-N 1 1 348.472 0.912 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C[C@@H]2C1 ZINC000408357724 438560525 /nfs/dbraw/zinc/56/05/25/438560525.db2.gz CGESEEVHQDDGDP-PHIMTYICSA-N 1 1 336.373 0.649 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(C#N)c(O)c1 ZINC000442632493 438612401 /nfs/dbraw/zinc/61/24/01/438612401.db2.gz DBJKSQIZQVBIES-HNNXBMFYSA-N 1 1 344.415 0.936 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000444565637 438661709 /nfs/dbraw/zinc/66/17/09/438661709.db2.gz BFVSVEVDPCQDMM-CQSZACIVSA-N 1 1 346.435 0.972 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000410912605 438667434 /nfs/dbraw/zinc/66/74/34/438667434.db2.gz USRHHHJUDAUSMH-UHFFFAOYSA-N 1 1 348.447 0.862 20 30 ECEDMO CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC[N@@H+]1CCOC ZINC000410926366 438668143 /nfs/dbraw/zinc/66/81/43/438668143.db2.gz PLTUFTAEPGUMBR-CABCVRRESA-N 1 1 338.452 0.564 20 30 ECEDMO CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC[N@H+]1CCOC ZINC000410926366 438668148 /nfs/dbraw/zinc/66/81/48/438668148.db2.gz PLTUFTAEPGUMBR-CABCVRRESA-N 1 1 338.452 0.564 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000411915258 438683145 /nfs/dbraw/zinc/68/31/45/438683145.db2.gz ZAYRMKVASDXWNY-CABCVRRESA-N 1 1 325.453 0.836 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(C)C[C@H](C(=O)OC)C1 ZINC000411915258 438683149 /nfs/dbraw/zinc/68/31/49/438683149.db2.gz ZAYRMKVASDXWNY-CABCVRRESA-N 1 1 325.453 0.836 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(C)C[C@H](C(=O)OC)C1 ZINC000411915258 438683153 /nfs/dbraw/zinc/68/31/53/438683153.db2.gz ZAYRMKVASDXWNY-CABCVRRESA-N 1 1 325.453 0.836 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C(=O)N(C)C)C2)CC1 ZINC000411933352 438683222 /nfs/dbraw/zinc/68/32/22/438683222.db2.gz AXUUPSOGHUYBTR-HOTGVXAUSA-N 1 1 349.479 0.089 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423537832 438685283 /nfs/dbraw/zinc/68/52/83/438685283.db2.gz LDKDNXVXVBMQBK-CQSZACIVSA-N 1 1 344.415 0.683 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC000411981141 438686006 /nfs/dbraw/zinc/68/60/06/438686006.db2.gz OGYJYDICIXPUOI-UONOGXRCSA-N 1 1 330.388 0.199 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000451222886 438696588 /nfs/dbraw/zinc/69/65/88/438696588.db2.gz YREBLLDMUDZHGP-QWHCGFSZSA-N 1 1 330.388 0.279 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000451222886 438696590 /nfs/dbraw/zinc/69/65/90/438696590.db2.gz YREBLLDMUDZHGP-QWHCGFSZSA-N 1 1 330.388 0.279 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413900435 438698109 /nfs/dbraw/zinc/69/81/09/438698109.db2.gz KTAQXSRMXQNXSA-CYBMUJFWSA-N 1 1 333.388 0.823 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413900435 438698110 /nfs/dbraw/zinc/69/81/10/438698110.db2.gz KTAQXSRMXQNXSA-CYBMUJFWSA-N 1 1 333.388 0.823 20 30 ECEDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000453967746 438703975 /nfs/dbraw/zinc/70/39/75/438703975.db2.gz JANZJXHIQAQBRP-AWEZNQCLSA-N 1 1 346.435 1.217 20 30 ECEDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000453967746 438703978 /nfs/dbraw/zinc/70/39/78/438703978.db2.gz JANZJXHIQAQBRP-AWEZNQCLSA-N 1 1 346.435 1.217 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)NCC(F)(F)C[NH3+])c1 ZINC000493894536 438657333 /nfs/dbraw/zinc/65/73/33/438657333.db2.gz OTIFLQUPNJFCHS-UHFFFAOYSA-N 1 1 333.360 0.475 20 30 ECEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000575141278 438740061 /nfs/dbraw/zinc/74/00/61/438740061.db2.gz RAZWPXSBHQZUDJ-OAHLLOKOSA-N 1 1 343.435 0.776 20 30 ECEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000575141278 438740062 /nfs/dbraw/zinc/74/00/62/438740062.db2.gz RAZWPXSBHQZUDJ-OAHLLOKOSA-N 1 1 343.435 0.776 20 30 ECEDMO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)ncc1C#N ZINC000457552329 438809637 /nfs/dbraw/zinc/80/96/37/438809637.db2.gz HHJDHRCUIQLCRQ-MRXNPFEDSA-N 1 1 341.415 0.640 20 30 ECEDMO C=CCC[C@@H](CO)NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000457606573 438814933 /nfs/dbraw/zinc/81/49/33/438814933.db2.gz HJZBSOBXTFAFDQ-HOTGVXAUSA-N 1 1 326.485 0.885 20 30 ECEDMO COC[C@@]1(CO)CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000595529475 438818503 /nfs/dbraw/zinc/81/85/03/438818503.db2.gz XQXZPAUZKSFLHS-WMZOPIPTSA-N 1 1 334.416 0.823 20 30 ECEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 ZINC000588125840 438819736 /nfs/dbraw/zinc/81/97/36/438819736.db2.gz OHHZAKBTOKEOEY-OAHLLOKOSA-N 1 1 349.479 0.281 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2nc(C)ccc2C#N)CC1=O ZINC000601178054 438827064 /nfs/dbraw/zinc/82/70/64/438827064.db2.gz JRGLOUCJOHFCSO-HNNXBMFYSA-N 1 1 331.420 0.853 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@H](CC(N)=O)C3)C2=O)cc1 ZINC000588305578 438830440 /nfs/dbraw/zinc/83/04/40/438830440.db2.gz SGDDWDAXXLMMFY-TZMCWYRMSA-N 1 1 326.356 0.387 20 30 ECEDMO N#CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000595623127 438835849 /nfs/dbraw/zinc/83/58/49/438835849.db2.gz IGKSETUZWFTQQV-OAHLLOKOSA-N 1 1 328.420 0.751 20 30 ECEDMO N#CC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000595623127 438835853 /nfs/dbraw/zinc/83/58/53/438835853.db2.gz IGKSETUZWFTQQV-OAHLLOKOSA-N 1 1 328.420 0.751 20 30 ECEDMO N#Cc1ccncc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000588757252 438839805 /nfs/dbraw/zinc/83/98/05/438839805.db2.gz SYVBESMXELIPLV-OAHLLOKOSA-N 1 1 329.404 0.090 20 30 ECEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC000595729569 438851695 /nfs/dbraw/zinc/85/16/95/438851695.db2.gz UCZKTSYUQLTQLY-UHFFFAOYSA-N 1 1 336.779 0.774 20 30 ECEDMO CNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000578091067 438897110 /nfs/dbraw/zinc/89/71/10/438897110.db2.gz OPQVOTQXPKKZSD-HIFRSBDPSA-N 1 1 340.383 0.648 20 30 ECEDMO CNC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000578091067 438897113 /nfs/dbraw/zinc/89/71/13/438897113.db2.gz OPQVOTQXPKKZSD-HIFRSBDPSA-N 1 1 340.383 0.648 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)n(CCC#N)n1 ZINC000590281514 438907494 /nfs/dbraw/zinc/90/74/94/438907494.db2.gz OBMVUKSVEDJLCG-QWHCGFSZSA-N 1 1 330.392 0.206 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563415717 438864520 /nfs/dbraw/zinc/86/45/20/438864520.db2.gz FLXUGPBSKNILAH-LSDHHAIUSA-N 1 1 344.481 0.652 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC4(COC4)C3)CC2)o1 ZINC000595835663 438867801 /nfs/dbraw/zinc/86/78/01/438867801.db2.gz VNXZUGQJSWUQME-UHFFFAOYSA-N 1 1 345.403 0.226 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595825211 438867941 /nfs/dbraw/zinc/86/79/41/438867941.db2.gz CVWWYNZXSHCOGG-VXGBXAGGSA-N 1 1 325.413 0.074 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595825211 438867944 /nfs/dbraw/zinc/86/79/44/438867944.db2.gz CVWWYNZXSHCOGG-VXGBXAGGSA-N 1 1 325.413 0.074 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000577779006 438872069 /nfs/dbraw/zinc/87/20/69/438872069.db2.gz WCXZHGSMKJBJCY-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO C[N@H+]1CCC[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000589864646 438886716 /nfs/dbraw/zinc/88/67/16/438886716.db2.gz RFALQDBHBGUJAF-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO Cn1cc(N2CC[C@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)C2=O)cn1 ZINC000578014016 438890883 /nfs/dbraw/zinc/89/08/83/438890883.db2.gz YCJNHBWCKQNATA-AWEZNQCLSA-N 1 1 336.359 0.230 20 30 ECEDMO Cn1cc(N2CC[C@@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)C2=O)cn1 ZINC000578014017 438890926 /nfs/dbraw/zinc/89/09/26/438890926.db2.gz YCJNHBWCKQNATA-CQSZACIVSA-N 1 1 336.359 0.230 20 30 ECEDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(C#N)n3)CC[C@@H]21 ZINC000564947277 438893010 /nfs/dbraw/zinc/89/30/10/438893010.db2.gz HKYNOVOTWPXGBP-JSGCOSHPSA-N 1 1 327.388 0.834 20 30 ECEDMO CCc1nc(C#N)cc(NCC2([NH+]3CCOCC3)CCOCC2)n1 ZINC000596263139 438948234 /nfs/dbraw/zinc/94/82/34/438948234.db2.gz CHYUGAQNNXBIIU-UHFFFAOYSA-N 1 1 331.420 1.204 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)C1 ZINC000590747023 438953417 /nfs/dbraw/zinc/95/34/17/438953417.db2.gz XALCKFUJBYALSK-OAHLLOKOSA-N 1 1 342.509 0.968 20 30 ECEDMO CC(C)N(CCCNC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N)S(C)(=O)=O ZINC000459462390 438967986 /nfs/dbraw/zinc/96/79/86/438967986.db2.gz JMRRUZPZRCKKIQ-UONOGXRCSA-N 1 1 344.481 0.445 20 30 ECEDMO COC(=O)c1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(C#N)n1 ZINC000596537376 438974245 /nfs/dbraw/zinc/97/42/45/438974245.db2.gz DQJHFHXYUHOZOM-ZDUSSCGKSA-N 1 1 330.388 0.775 20 30 ECEDMO CC(C)[N@@H+](C)CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000565746014 438975751 /nfs/dbraw/zinc/97/57/51/438975751.db2.gz RSYBBYGNSGGZRN-UHFFFAOYSA-N 1 1 338.433 0.293 20 30 ECEDMO C=CCCCCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000566478356 439060269 /nfs/dbraw/zinc/06/02/69/439060269.db2.gz PESHVBKGRLFULQ-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000597244441 439061824 /nfs/dbraw/zinc/06/18/24/439061824.db2.gz RBPRUJBWNGZIBE-CQSZACIVSA-N 1 1 332.379 0.914 20 30 ECEDMO CCn1cc(C[N@@H+](CCO)C[C@H]2CNc3c(C#N)cnn3C2)cn1 ZINC000580646103 439115146 /nfs/dbraw/zinc/11/51/46/439115146.db2.gz APKAGIZQZFXWCF-CYBMUJFWSA-N 1 1 329.408 0.507 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000597342006 439081481 /nfs/dbraw/zinc/08/14/81/439081481.db2.gz JWTALCJVJWMFAF-CQSZACIVSA-N 1 1 336.436 0.100 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000597342005 439081779 /nfs/dbraw/zinc/08/17/79/439081779.db2.gz JWTALCJVJWMFAF-AWEZNQCLSA-N 1 1 336.436 0.100 20 30 ECEDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cn1 ZINC000602944548 439167010 /nfs/dbraw/zinc/16/70/10/439167010.db2.gz UFORJSVZTWFBHV-LSDHHAIUSA-N 1 1 333.436 0.915 20 30 ECEDMO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)CN1CCN(C)CC1 ZINC000567691032 439167954 /nfs/dbraw/zinc/16/79/54/439167954.db2.gz NRHSHWIOOIURJH-FUHWJXTLSA-N 1 1 346.475 0.771 20 30 ECEDMO N#CC[C@@]1(O)CC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000592150685 439168093 /nfs/dbraw/zinc/16/80/93/439168093.db2.gz HCSRVPRAFMUYNP-RHSMWYFYSA-N 1 1 344.371 0.215 20 30 ECEDMO N#C[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000521594163 439124448 /nfs/dbraw/zinc/12/44/48/439124448.db2.gz WKOJIQVMCZYWAN-KRWDZBQOSA-N 1 1 343.431 0.743 20 30 ECEDMO N#CC[C@]1(O)CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000591985919 439125964 /nfs/dbraw/zinc/12/59/64/439125964.db2.gz PURBOHJJDLTKTI-VYDXJSESSA-N 1 1 336.436 0.690 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)[C@H]1CCN(CC(F)(F)F)C1 ZINC000602891582 439152766 /nfs/dbraw/zinc/15/27/66/439152766.db2.gz IXAPUYOTKGWVBU-NSHDSACASA-N 1 1 336.358 0.957 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)n(CCC#N)n1 ZINC000525888395 439222597 /nfs/dbraw/zinc/22/25/97/439222597.db2.gz QJKWFOVCYFFBLB-AWEZNQCLSA-N 1 1 344.419 0.739 20 30 ECEDMO COCC(=O)NC1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000603681834 439278612 /nfs/dbraw/zinc/27/86/12/439278612.db2.gz LDPZDCRHCFSLLC-SUMWQHHRSA-N 1 1 338.452 0.656 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000568502246 439253477 /nfs/dbraw/zinc/25/34/77/439253477.db2.gz JVFDWMYYQVKXEB-OAHLLOKOSA-N 1 1 346.435 0.233 20 30 ECEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc1N ZINC000603423207 439258797 /nfs/dbraw/zinc/25/87/97/439258797.db2.gz NBPLFWPUYGJUIX-HNNXBMFYSA-N 1 1 330.436 0.744 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CCCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC000490915030 439312446 /nfs/dbraw/zinc/31/24/46/439312446.db2.gz KZPGBWIJCFCZED-GJZGRUSLSA-N 1 1 341.477 0.693 20 30 ECEDMO C#CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC000490915030 439312450 /nfs/dbraw/zinc/31/24/50/439312450.db2.gz KZPGBWIJCFCZED-GJZGRUSLSA-N 1 1 341.477 0.693 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000598824341 439318044 /nfs/dbraw/zinc/31/80/44/439318044.db2.gz MIAJTYVSSDMLII-ZFWWWQNUSA-N 1 1 339.436 0.553 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000598824341 439318049 /nfs/dbraw/zinc/31/80/49/439318049.db2.gz MIAJTYVSSDMLII-ZFWWWQNUSA-N 1 1 339.436 0.553 20 30 ECEDMO CNC(=O)[C@@H]1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528381095 439329877 /nfs/dbraw/zinc/32/98/77/439329877.db2.gz OYYGRZZQPCZIGZ-CQSZACIVSA-N 1 1 339.395 0.744 20 30 ECEDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528374234 439331273 /nfs/dbraw/zinc/33/12/73/439331273.db2.gz WRNSWTVYQWTGCP-UONOGXRCSA-N 1 1 339.395 0.872 20 30 ECEDMO N#CC[C@]1(O)CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000592843993 439287957 /nfs/dbraw/zinc/28/79/57/439287957.db2.gz IJEJMURPYUGTLU-ROUUACIJSA-N 1 1 329.400 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000490900170 439308755 /nfs/dbraw/zinc/30/87/55/439308755.db2.gz UAQNOVYHBSPSQO-AWEZNQCLSA-N 1 1 336.413 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cn(Cc2ccccn2)nn1 ZINC000490897314 439310158 /nfs/dbraw/zinc/31/01/58/439310158.db2.gz BHCWOEFHUYXSBM-HNNXBMFYSA-N 1 1 325.372 0.976 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cn(Cc2ccccn2)nn1 ZINC000490897314 439310162 /nfs/dbraw/zinc/31/01/62/439310162.db2.gz BHCWOEFHUYXSBM-HNNXBMFYSA-N 1 1 325.372 0.976 20 30 ECEDMO C#CCN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000490914996 439310920 /nfs/dbraw/zinc/31/09/20/439310920.db2.gz KOPXLHWWCVQOPI-HNNXBMFYSA-N 1 1 339.461 0.445 20 30 ECEDMO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(CC#N)cc2)CC1 ZINC000528740005 439365121 /nfs/dbraw/zinc/36/51/21/439365121.db2.gz XYZQDJITBGAXRF-UHFFFAOYSA-N 1 1 328.416 0.923 20 30 ECEDMO COCCOCC[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000593114951 439344961 /nfs/dbraw/zinc/34/49/61/439344961.db2.gz FIKIIAKUDOHBSK-UHFFFAOYSA-N 1 1 346.431 0.777 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(=O)OCC)o1 ZINC000491202068 439348456 /nfs/dbraw/zinc/34/84/56/439348456.db2.gz LNWGMWSUKUFGEG-UHFFFAOYSA-N 1 1 328.390 0.690 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000491202447 439348538 /nfs/dbraw/zinc/34/85/38/439348538.db2.gz OHROWBUTGGNKSF-CQSZACIVSA-N 1 1 345.447 0.999 20 30 ECEDMO C[C@]1(CO)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@]1(C)CO ZINC000528752371 439368876 /nfs/dbraw/zinc/36/88/76/439368876.db2.gz XOVOSAPPIZWOKC-YTQUADARSA-N 1 1 348.443 0.805 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000491383876 439373150 /nfs/dbraw/zinc/37/31/50/439373150.db2.gz MTWGJTLEBVWXLQ-AWEZNQCLSA-N 1 1 332.448 0.642 20 30 ECEDMO COCCCNC(=O)C[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599262406 439406245 /nfs/dbraw/zinc/40/62/45/439406245.db2.gz JCKBOMIHHGAECA-AWEZNQCLSA-N 1 1 327.425 0.142 20 30 ECEDMO C#C[C@@H](CCC)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000491617613 439413126 /nfs/dbraw/zinc/41/31/26/439413126.db2.gz BHKGFLKJTKLXCG-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)OC ZINC000491651931 439420297 /nfs/dbraw/zinc/42/02/97/439420297.db2.gz KAERXNOKBAWHGL-UHFFFAOYSA-N 1 1 349.362 0.622 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O ZINC000491708419 439431922 /nfs/dbraw/zinc/43/19/22/439431922.db2.gz OMPZEXSTYQSMNB-OAHLLOKOSA-N 1 1 343.493 0.940 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000491707690 439432809 /nfs/dbraw/zinc/43/28/09/439432809.db2.gz SLZPPAPBGXMUBN-HNNXBMFYSA-N 1 1 345.447 0.911 20 30 ECEDMO C#CCN(C(=O)N[C@H](C)C[N@H+](CC)CCC)[C@H]1CCS(=O)(=O)C1 ZINC000491744865 439440159 /nfs/dbraw/zinc/44/01/59/439440159.db2.gz SSXITWHCYQQENP-CABCVRRESA-N 1 1 343.493 0.939 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@H](OCC)[C@H]1n1cccn1 ZINC000491749504 439442140 /nfs/dbraw/zinc/44/21/40/439442140.db2.gz GKHRARTYTWKXDL-PMPSAXMXSA-N 1 1 333.436 0.856 20 30 ECEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)CCOCC1 ZINC000599363852 439447046 /nfs/dbraw/zinc/44/70/46/439447046.db2.gz GKOGJXBSVXSJID-HUUCEWRRSA-N 1 1 336.436 0.594 20 30 ECEDMO C[C@@H](C[S@](C)=O)[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599361791 439447241 /nfs/dbraw/zinc/44/72/41/439447241.db2.gz KWOUPZUHBFNYFH-NPMABZOXSA-N 1 1 332.425 0.985 20 30 ECEDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599361791 439447245 /nfs/dbraw/zinc/44/72/45/439447245.db2.gz KWOUPZUHBFNYFH-NPMABZOXSA-N 1 1 332.425 0.985 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000491811428 439456098 /nfs/dbraw/zinc/45/60/98/439456098.db2.gz LKUPICSTWFGMLL-RHSMWYFYSA-N 1 1 345.447 0.319 20 30 ECEDMO C#CCN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)C1CCCC1 ZINC000491793417 439452168 /nfs/dbraw/zinc/45/21/68/439452168.db2.gz KXUHLWSMDZHLDS-INIZCTEOSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000491800598 439454583 /nfs/dbraw/zinc/45/45/83/439454583.db2.gz AJFFAXOLMPNLTJ-INIZCTEOSA-N 1 1 333.432 0.324 20 30 ECEDMO CN(C)C(=O)[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000570908180 439459842 /nfs/dbraw/zinc/45/98/42/439459842.db2.gz ZOBOTMMVBGIXIZ-HIFRSBDPSA-N 1 1 340.383 0.600 20 30 ECEDMO CN(C)C(=O)[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000570908180 439459848 /nfs/dbraw/zinc/45/98/48/439459848.db2.gz ZOBOTMMVBGIXIZ-HIFRSBDPSA-N 1 1 340.383 0.600 20 30 ECEDMO C[C@@H]([NH3+])CNC(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593779248 439466558 /nfs/dbraw/zinc/46/65/58/439466558.db2.gz PRDNKAFIHHECPW-CYBMUJFWSA-N 1 1 343.431 0.102 20 30 ECEDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(C#N)nc3)C2)CC1 ZINC000599457139 439477657 /nfs/dbraw/zinc/47/76/57/439477657.db2.gz CDMUPPSSWLJBGB-MRXNPFEDSA-N 1 1 327.432 0.780 20 30 ECEDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)Cc3ccc(C#N)nc3)C2)CC1 ZINC000599457139 439477662 /nfs/dbraw/zinc/47/76/62/439477662.db2.gz CDMUPPSSWLJBGB-MRXNPFEDSA-N 1 1 327.432 0.780 20 30 ECEDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599475525 439482711 /nfs/dbraw/zinc/48/27/11/439482711.db2.gz RTIJYTBIZKYLQE-HUUCEWRRSA-N 1 1 338.452 0.745 20 30 ECEDMO N#Cc1csc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000531117861 439505523 /nfs/dbraw/zinc/50/55/23/439505523.db2.gz RFIHSUHGTPHMMW-KGLIPLIRSA-N 1 1 341.458 0.207 20 30 ECEDMO N#Cc1csc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000531117865 439506526 /nfs/dbraw/zinc/50/65/26/439506526.db2.gz RFIHSUHGTPHMMW-ZIAGYGMSSA-N 1 1 341.458 0.207 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000599568896 439507842 /nfs/dbraw/zinc/50/78/42/439507842.db2.gz KXJMHNQQBYDHHM-RHSMWYFYSA-N 1 1 334.372 0.562 20 30 ECEDMO N#Cc1ccc(N2CC[C@@H](N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2=O)cc1 ZINC000594027809 439508720 /nfs/dbraw/zinc/50/87/20/439508720.db2.gz RIWGRKXYDQDVFZ-GVDBMIGSSA-N 1 1 326.400 0.414 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC000491814878 439458189 /nfs/dbraw/zinc/45/81/89/439458189.db2.gz DPVXJVSMQRAAHU-JZXOWHBKSA-N 1 1 335.448 0.032 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC000491814878 439458196 /nfs/dbraw/zinc/45/81/96/439458196.db2.gz DPVXJVSMQRAAHU-JZXOWHBKSA-N 1 1 335.448 0.032 20 30 ECEDMO CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000543753521 439562092 /nfs/dbraw/zinc/56/20/92/439562092.db2.gz WBXINHDKUDZAMX-GFCCVEGCSA-N 1 1 345.451 0.922 20 30 ECEDMO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000547331478 439573349 /nfs/dbraw/zinc/57/33/49/439573349.db2.gz REMLRHZSLLVKAV-HUUCEWRRSA-N 1 1 340.493 0.578 20 30 ECEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1COCCN1 ZINC000599932473 439577171 /nfs/dbraw/zinc/57/71/71/439577171.db2.gz VHIACTDJYTWCBB-QGZVFWFLSA-N 1 1 345.447 0.620 20 30 ECEDMO COc1cc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(F)cc1C#N ZINC000599975379 439588506 /nfs/dbraw/zinc/58/85/06/439588506.db2.gz QWFZMKNEBXCPCZ-HZMBPMFUSA-N 1 1 346.362 0.807 20 30 ECEDMO COc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(F)cc1C#N ZINC000599984385 439590003 /nfs/dbraw/zinc/59/00/03/439590003.db2.gz MHUQBXIGHNUXCJ-TXEJJXNPSA-N 1 1 346.362 0.664 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000600100344 439614418 /nfs/dbraw/zinc/61/44/18/439614418.db2.gz VPNSEHISRJDTFF-LBPRGKRZSA-N 1 1 336.779 0.333 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000610906824 439655494 /nfs/dbraw/zinc/65/54/94/439655494.db2.gz AYLANYWVOOSGSA-ABAIWWIYSA-N 1 1 346.387 0.341 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000610906824 439655499 /nfs/dbraw/zinc/65/54/99/439655499.db2.gz AYLANYWVOOSGSA-ABAIWWIYSA-N 1 1 346.387 0.341 20 30 ECEDMO N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000586859125 439664546 /nfs/dbraw/zinc/66/45/46/439664546.db2.gz STPKTAVGVUYARZ-OAHLLOKOSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595173629 439668244 /nfs/dbraw/zinc/66/82/44/439668244.db2.gz VBCBTGWPLHCGFJ-GUYCJALGSA-N 1 1 336.436 0.052 20 30 ECEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595173629 439668247 /nfs/dbraw/zinc/66/82/47/439668247.db2.gz VBCBTGWPLHCGFJ-GUYCJALGSA-N 1 1 336.436 0.052 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000587729901 439668751 /nfs/dbraw/zinc/66/87/51/439668751.db2.gz LLVNLBRCEQYGNG-WOSRLPQWSA-N 1 1 344.415 0.571 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000587729901 439668753 /nfs/dbraw/zinc/66/87/53/439668753.db2.gz LLVNLBRCEQYGNG-WOSRLPQWSA-N 1 1 344.415 0.571 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)C1 ZINC000587728062 439668835 /nfs/dbraw/zinc/66/88/35/439668835.db2.gz FRKNSEHKWURKOC-CZUORRHYSA-N 1 1 344.415 0.572 20 30 ECEDMO C[C@](O)(C[C@H](O)C[NH+]1CCN(c2ncccc2C#N)CC1)C1CC1 ZINC000600846078 439709496 /nfs/dbraw/zinc/70/94/96/439709496.db2.gz LORQAWJMRNIXES-WMZOPIPTSA-N 1 1 330.432 0.987 20 30 ECEDMO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)CC3(O)CCOCC3)CC2)c1 ZINC000600845783 439710229 /nfs/dbraw/zinc/71/02/29/439710229.db2.gz IZIBJCHGWAXZBJ-INIZCTEOSA-N 1 1 346.431 0.368 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000595284240 439691810 /nfs/dbraw/zinc/69/18/10/439691810.db2.gz PMGJYPFBRYJBMC-OAHLLOKOSA-N 1 1 348.472 0.980 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCCCN1CCOCC1 ZINC000600714741 439694285 /nfs/dbraw/zinc/69/42/85/439694285.db2.gz CGEBEYPOXYJFQR-QGZVFWFLSA-N 1 1 333.432 1.000 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000613585834 439759210 /nfs/dbraw/zinc/75/92/10/439759210.db2.gz JLJUBTRYGUSWJO-WMZOPIPTSA-N 1 1 332.400 0.984 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000613585834 439759211 /nfs/dbraw/zinc/75/92/11/439759211.db2.gz JLJUBTRYGUSWJO-WMZOPIPTSA-N 1 1 332.400 0.984 20 30 ECEDMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000612812548 439741141 /nfs/dbraw/zinc/74/11/41/439741141.db2.gz CBCAIBCKZGUENZ-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO COC(=O)CN1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000616113221 439811780 /nfs/dbraw/zinc/81/17/80/439811780.db2.gz IBBGESBOIRKRPJ-MRXNPFEDSA-N 1 1 347.415 0.283 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000658675466 440059777 /nfs/dbraw/zinc/05/97/77/440059777.db2.gz ULNGGHHMVJOWTK-IAGOWNOFSA-N 1 1 349.475 0.982 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H]2CCCC[N@@H+]2C(C)C)c1=O ZINC000663938222 440200741 /nfs/dbraw/zinc/20/07/41/440200741.db2.gz GRQPAZKOEFSLIJ-HNNXBMFYSA-N 1 1 348.447 0.807 20 30 ECEDMO C=CCCCCCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658902490 440181919 /nfs/dbraw/zinc/18/19/19/440181919.db2.gz AIZSJGZAXWRWTQ-INIZCTEOSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661178872 440807734 /nfs/dbraw/zinc/80/77/34/440807734.db2.gz BMJROVXBPBFRNX-CWRNSKLLSA-N 1 1 341.411 0.794 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000662166704 440977953 /nfs/dbraw/zinc/97/79/53/440977953.db2.gz DOQJGCZTPLNCJH-LLVKDONJSA-N 1 1 327.406 0.012 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000662168214 440979036 /nfs/dbraw/zinc/97/90/36/440979036.db2.gz YKCPQIDAGRUDJC-SECBINFHSA-N 1 1 332.809 0.819 20 30 ECEDMO C=CC[C@@]1(C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)CCC[NH2+]1 ZINC000662401739 441029780 /nfs/dbraw/zinc/02/97/80/441029780.db2.gz QYLNIWYAVGZWES-QAPCUYQASA-N 1 1 334.464 0.355 20 30 ECEDMO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1=O ZINC000562990096 322291452 /nfs/dbraw/zinc/29/14/52/322291452.db2.gz DQRJHICWZQJQAD-INWMFGNUSA-N 1 1 347.440 0.931 20 30 ECEDMO C[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000132484718 533898253 /nfs/dbraw/zinc/89/82/53/533898253.db2.gz UTJCYKSXDHITES-AWEZNQCLSA-N 1 1 344.415 0.373 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CC[NH+](C)CC1 ZINC000329253642 546018033 /nfs/dbraw/zinc/01/80/33/546018033.db2.gz WHRGZKJTEADXLB-GHMZBOCLSA-N 1 1 336.358 0.742 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000619708632 546359365 /nfs/dbraw/zinc/35/93/65/546359365.db2.gz JVKZIVACFPPQRP-OAHLLOKOSA-N 1 1 344.481 0.653 20 30 ECEDMO C=CCOc1ccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1 ZINC000623793108 546841901 /nfs/dbraw/zinc/84/19/01/546841901.db2.gz SNQNLYJHRLGHQL-UHFFFAOYSA-N 1 1 325.434 0.832 20 30 ECEDMO C=CCn1c(-c2cn[nH]c2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624851338 546982035 /nfs/dbraw/zinc/98/20/35/546982035.db2.gz WJYFSCLAJOUFFC-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO CC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CCNC1=O ZINC000625396814 547088763 /nfs/dbraw/zinc/08/87/63/547088763.db2.gz UBOTWPBEGQRQOH-HNNXBMFYSA-N 1 1 325.368 0.496 20 30 ECEDMO CC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CCNC1=O ZINC000625396814 547088766 /nfs/dbraw/zinc/08/87/66/547088766.db2.gz UBOTWPBEGQRQOH-HNNXBMFYSA-N 1 1 325.368 0.496 20 30 ECEDMO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668966952 547802167 /nfs/dbraw/zinc/80/21/67/547802167.db2.gz NQGZCYBDFBCIML-ZBFHGGJFSA-N 1 1 337.464 0.905 20 30 ECEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCc1ccc(C(=O)NO)cc1 ZINC000671996254 548251656 /nfs/dbraw/zinc/25/16/56/548251656.db2.gz FZBHIUPPQUZMAN-AWEZNQCLSA-N 1 1 331.376 0.249 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001078027885 782170655 /nfs/dbraw/zinc/17/06/55/782170655.db2.gz MUJQMHQVOMTWBO-HZPDHXFCSA-N 1 1 329.400 0.669 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CCO)CCc2ccccc2)CC1 ZINC000748815628 579329385 /nfs/dbraw/zinc/32/93/85/579329385.db2.gz CYHJDQAOKOPIPB-UHFFFAOYSA-N 1 1 329.444 0.301 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](CCO)CCc2ccccc2)CC1 ZINC000748815628 579329386 /nfs/dbraw/zinc/32/93/86/579329386.db2.gz CYHJDQAOKOPIPB-UHFFFAOYSA-N 1 1 329.444 0.301 20 30 ECEDMO C#CCOCCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000753382896 579400030 /nfs/dbraw/zinc/40/00/30/579400030.db2.gz PRPCEKNZAHNKKZ-MSOLQXFVSA-N 1 1 345.443 0.818 20 30 ECEDMO CCC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccn(C)n1 ZINC000758078936 579467367 /nfs/dbraw/zinc/46/73/67/579467367.db2.gz AYDASENIQDSDOJ-UHFFFAOYSA-N 1 1 338.481 0.721 20 30 ECEDMO C#CCNC(=S)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000758232643 579469226 /nfs/dbraw/zinc/46/92/26/579469226.db2.gz AIJMXGCMCLWNQJ-MRXNPFEDSA-N 1 1 344.484 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)nc1 ZINC000758269068 579469910 /nfs/dbraw/zinc/46/99/10/579469910.db2.gz AOSXGLZNSOYRHL-AWEZNQCLSA-N 1 1 335.429 0.254 20 30 ECEDMO C=C(Br)CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000729498452 578296160 /nfs/dbraw/zinc/29/61/60/578296160.db2.gz MYPPOBPOEFQIPU-LLVKDONJSA-N 1 1 347.257 0.782 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000730281327 578304499 /nfs/dbraw/zinc/30/44/99/578304499.db2.gz IUCJVSSYEKZKOL-CVEARBPZSA-N 1 1 332.448 0.025 20 30 ECEDMO CCC[N@H+]1CC[C@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000732425992 578325294 /nfs/dbraw/zinc/32/52/94/578325294.db2.gz IMCBHLAYPKALMV-JFVSRZABSA-N 1 1 349.435 0.544 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000732896448 578330836 /nfs/dbraw/zinc/33/08/36/578330836.db2.gz NENHJGTZDPPIRT-UHFFFAOYSA-N 1 1 347.440 0.802 20 30 ECEDMO C[NH+](C)[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccco1 ZINC000733886028 578348844 /nfs/dbraw/zinc/34/88/44/578348844.db2.gz DJGTUQXHWIBAOQ-ZFHSLQLHSA-N 1 1 346.387 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000733983213 578350875 /nfs/dbraw/zinc/35/08/75/578350875.db2.gz LDQFIMBPVXRIHK-AWEZNQCLSA-N 1 1 327.388 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000733983213 578350877 /nfs/dbraw/zinc/35/08/77/578350877.db2.gz LDQFIMBPVXRIHK-AWEZNQCLSA-N 1 1 327.388 0.766 20 30 ECEDMO CCCn1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)cn1 ZINC000734977938 578373299 /nfs/dbraw/zinc/37/32/99/578373299.db2.gz NPVOGSZPMHFZPQ-UHFFFAOYSA-N 1 1 338.481 0.813 20 30 ECEDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C[C@@H]21 ZINC000794972298 578602214 /nfs/dbraw/zinc/60/22/14/578602214.db2.gz RNPLGAGCNGOTHY-DLTWYDFYSA-N 1 1 348.447 0.030 20 30 ECEDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C[C@@H]21 ZINC000794972298 578602215 /nfs/dbraw/zinc/60/22/15/578602215.db2.gz RNPLGAGCNGOTHY-DLTWYDFYSA-N 1 1 348.447 0.030 20 30 ECEDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000795704235 578619238 /nfs/dbraw/zinc/61/92/38/578619238.db2.gz XUAXSTXHEYUBIK-GOEBONIOSA-N 1 1 342.443 0.961 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000799073385 578657040 /nfs/dbraw/zinc/65/70/40/578657040.db2.gz HSSFLMYHTXYMAE-SFHVURJKSA-N 1 1 329.444 0.695 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc(C#N)cn1 ZINC000780641985 578698339 /nfs/dbraw/zinc/69/83/39/578698339.db2.gz XSWCWCFTFXIUMC-CQSZACIVSA-N 1 1 330.436 0.778 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000783304980 578741036 /nfs/dbraw/zinc/74/10/36/578741036.db2.gz BABLKQXLRMNQDS-CQSZACIVSA-N 1 1 347.481 0.339 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)COCCNC(=O)c2ccccc2)CC1 ZINC000785366006 578766852 /nfs/dbraw/zinc/76/68/52/578766852.db2.gz FBIURFNFGLUNRS-UHFFFAOYSA-N 1 1 343.427 0.601 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000790266478 578870881 /nfs/dbraw/zinc/87/08/81/578870881.db2.gz YTFWRUQOYNKGNS-MNOVXSKESA-N 1 1 330.226 0.754 20 30 ECEDMO C[C@@H](NC(=O)NCCNc1ccc(C#N)cn1)[C@H]1C[N@H+](C)CCO1 ZINC000769974293 579156905 /nfs/dbraw/zinc/15/69/05/579156905.db2.gz UJPTYIKENIOZCD-TZMCWYRMSA-N 1 1 332.408 0.383 20 30 ECEDMO C[C@@H](NC(=O)NCCNc1ccc(C#N)cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000769974293 579156906 /nfs/dbraw/zinc/15/69/06/579156906.db2.gz UJPTYIKENIOZCD-TZMCWYRMSA-N 1 1 332.408 0.383 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCCO1 ZINC000773781897 579233460 /nfs/dbraw/zinc/23/34/60/579233460.db2.gz AHMFWBQZPCXWBU-KBPBESRZSA-N 1 1 339.355 0.503 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[C@@H]1CCCO1 ZINC000773791978 579233942 /nfs/dbraw/zinc/23/39/42/579233942.db2.gz PBVJSYQHFQRLJL-CVEARBPZSA-N 1 1 327.384 0.868 20 30 ECEDMO C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[C@@H]1CCCO1 ZINC000773791978 579233944 /nfs/dbraw/zinc/23/39/44/579233944.db2.gz PBVJSYQHFQRLJL-CVEARBPZSA-N 1 1 327.384 0.868 20 30 ECEDMO N#Cc1ccc([C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)C(N)=O)cc1 ZINC000776741550 579288779 /nfs/dbraw/zinc/28/87/79/579288779.db2.gz VKJBBJHWNXJZGL-LSDHHAIUSA-N 1 1 331.372 0.596 20 30 ECEDMO N#CCc1ccccc1CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000777382253 579297550 /nfs/dbraw/zinc/29/75/50/579297550.db2.gz KAPCKPCRYCFDOC-QGZVFWFLSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CCOCC[N@@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000761109900 579521895 /nfs/dbraw/zinc/52/18/95/579521895.db2.gz QMSYZSOGSXTKMT-UHFFFAOYSA-N 1 1 339.436 0.647 20 30 ECEDMO C#CCOCC[N@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000761109900 579521897 /nfs/dbraw/zinc/52/18/97/579521897.db2.gz QMSYZSOGSXTKMT-UHFFFAOYSA-N 1 1 339.436 0.647 20 30 ECEDMO COCc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)o1 ZINC000764665798 579579279 /nfs/dbraw/zinc/57/92/79/579579279.db2.gz MLGAPEVCDKISSI-UHFFFAOYSA-N 1 1 340.449 0.946 20 30 ECEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000739006118 579661042 /nfs/dbraw/zinc/66/10/42/579661042.db2.gz QAAODDHZBIHZIW-ZGTROFRASA-N 1 1 349.435 0.494 20 30 ECEDMO C#CCC[NH+]1CCC(NC(=O)C2(S(C)(=O)=O)CCCC2)CC1 ZINC000740735449 579761116 /nfs/dbraw/zinc/76/11/16/579761116.db2.gz GAYYOUOOCMXRKD-UHFFFAOYSA-N 1 1 326.462 0.948 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000742193750 579781620 /nfs/dbraw/zinc/78/16/20/579781620.db2.gz CCKNYNZADYBVPN-CYBMUJFWSA-N 1 1 337.445 0.927 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000742193750 579781621 /nfs/dbraw/zinc/78/16/21/579781621.db2.gz CCKNYNZADYBVPN-CYBMUJFWSA-N 1 1 337.445 0.927 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000742195304 579781637 /nfs/dbraw/zinc/78/16/37/579781637.db2.gz GLHPMEGTBKVIJT-CYBMUJFWSA-N 1 1 335.429 0.374 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000742195304 579781638 /nfs/dbraw/zinc/78/16/38/579781638.db2.gz GLHPMEGTBKVIJT-CYBMUJFWSA-N 1 1 335.429 0.374 20 30 ECEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000835793393 588917928 /nfs/dbraw/zinc/91/79/28/588917928.db2.gz LFFFXNWPRBKJCR-DOMZBBRYSA-N 1 1 345.374 0.939 20 30 ECEDMO C#CCO[C@@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000837845314 588962995 /nfs/dbraw/zinc/96/29/95/588962995.db2.gz MENDNLMFJBCMRA-INIZCTEOSA-N 1 1 344.411 0.912 20 30 ECEDMO C#C[C@@H](NC(=O)NC1CCC([NH+]2CCNCC2)CC1)[C@H]1CCCO1 ZINC000841878566 589004075 /nfs/dbraw/zinc/00/40/75/589004075.db2.gz HLRGHJLOQCYYRB-BHUNQDJPSA-N 1 1 334.464 0.683 20 30 ECEDMO C#CC[C@@H]1NC(=O)N(CC[NH+]2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000842237717 589023793 /nfs/dbraw/zinc/02/37/93/589023793.db2.gz WUBXEZACLVLELE-INIZCTEOSA-N 1 1 344.390 0.891 20 30 ECEDMO C#C[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000890649279 586056905 /nfs/dbraw/zinc/05/69/05/586056905.db2.gz BUJJFLSRBLRGES-DLBZAZTESA-N 1 1 347.459 0.714 20 30 ECEDMO C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896560014 586253042 /nfs/dbraw/zinc/25/30/42/586253042.db2.gz KJDPFOSQGKTBDH-YOEHRIQHSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CN(C)CCN1C ZINC000896560014 586253043 /nfs/dbraw/zinc/25/30/43/586253043.db2.gz KJDPFOSQGKTBDH-YOEHRIQHSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896560014 586253044 /nfs/dbraw/zinc/25/30/44/586253044.db2.gz KJDPFOSQGKTBDH-YOEHRIQHSA-N 1 1 330.432 0.882 20 30 ECEDMO C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896560014 586253045 /nfs/dbraw/zinc/25/30/45/586253045.db2.gz KJDPFOSQGKTBDH-YOEHRIQHSA-N 1 1 330.432 0.882 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC000892688591 586283470 /nfs/dbraw/zinc/28/34/70/586283470.db2.gz YPWAURXEOMERES-UHFFFAOYSA-N 1 1 325.409 0.612 20 30 ECEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000897282107 586293825 /nfs/dbraw/zinc/29/38/25/586293825.db2.gz BGKDFIURIWROBW-MRXNPFEDSA-N 1 1 349.460 0.371 20 30 ECEDMO CN(CCC#N)c1ccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000897282107 586293827 /nfs/dbraw/zinc/29/38/27/586293827.db2.gz BGKDFIURIWROBW-MRXNPFEDSA-N 1 1 349.460 0.371 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000867311313 589041931 /nfs/dbraw/zinc/04/19/31/589041931.db2.gz KPOQRXVDWMCLLO-UHFFFAOYSA-N 1 1 338.355 0.672 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCO[C@@](C)(C#N)C2)CC1 ZINC000893237656 586318846 /nfs/dbraw/zinc/31/88/46/586318846.db2.gz IOPWPIABXWEUSV-RDJZCZTQSA-N 1 1 337.468 0.584 20 30 ECEDMO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000897519689 586337713 /nfs/dbraw/zinc/33/77/13/586337713.db2.gz UIXSLCHMVWKETJ-NFAWXSAZSA-N 1 1 340.449 0.050 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CCNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000897519689 586337715 /nfs/dbraw/zinc/33/77/15/586337715.db2.gz UIXSLCHMVWKETJ-NFAWXSAZSA-N 1 1 340.449 0.050 20 30 ECEDMO C[C@@H](NC(=O)N1CCC2(CC1)CC(=O)C=CO2)[C@H]1C[N@H+](C)CCO1 ZINC000893764054 586357845 /nfs/dbraw/zinc/35/78/45/586357845.db2.gz HOBKYHLWNURPKW-UKRRQHHQSA-N 1 1 337.420 0.753 20 30 ECEDMO C[C@@H](NC(=O)N1CCC2(CC1)CC(=O)C=CO2)[C@H]1C[N@@H+](C)CCO1 ZINC000893764054 586357848 /nfs/dbraw/zinc/35/78/48/586357848.db2.gz HOBKYHLWNURPKW-UKRRQHHQSA-N 1 1 337.420 0.753 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1Cc2cc(C(=O)OCC)nn2C[C@H]1C ZINC000899809440 586507513 /nfs/dbraw/zinc/50/75/13/586507513.db2.gz HQMUEQIUVBOMMR-CJNGLKHVSA-N 1 1 344.415 0.888 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1Cc2cc(C(=O)OCC)nn2C[C@H]1C ZINC000899809440 586507514 /nfs/dbraw/zinc/50/75/14/586507514.db2.gz HQMUEQIUVBOMMR-CJNGLKHVSA-N 1 1 344.415 0.888 20 30 ECEDMO C=CCN(C(=O)c1ccnn1CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000900310352 586537514 /nfs/dbraw/zinc/53/75/14/586537514.db2.gz ORJAKKXTMGOGQL-ZDUSSCGKSA-N 1 1 340.449 0.260 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 ZINC000900616802 586648599 /nfs/dbraw/zinc/64/85/99/586648599.db2.gz RITNSARSPJUBMH-UHFFFAOYSA-N 1 1 340.427 0.550 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000900717263 586658865 /nfs/dbraw/zinc/65/88/65/586658865.db2.gz BPEZRCUVKXMQMU-IIAWOOMASA-N 1 1 339.461 0.648 20 30 ECEDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccsc1C#N ZINC000903499097 586778192 /nfs/dbraw/zinc/77/81/92/586778192.db2.gz KKHNUDYTOKHVTR-VIFPVBQESA-N 1 1 329.403 0.145 20 30 ECEDMO C#C[C@H]1COCCN1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000839194971 586840760 /nfs/dbraw/zinc/84/07/60/586840760.db2.gz MLCGIUMPMWXQBF-IBGZPJMESA-N 1 1 341.455 0.973 20 30 ECEDMO C[NH+]1CCN(N=Cc2c(Br)nc3n2CCOC3)CC1 ZINC000905420998 586891947 /nfs/dbraw/zinc/89/19/47/586891947.db2.gz YNNOBZJUMHKNIT-UHFFFAOYSA-N 1 1 328.214 0.757 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC[N@H+]1C ZINC000806041670 586954218 /nfs/dbraw/zinc/95/42/18/586954218.db2.gz JGFWLHIPSIAHTR-SMDDNHRTSA-N 1 1 332.379 0.912 20 30 ECEDMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(C#N)cn3)CC2)C1 ZINC000906948908 587002297 /nfs/dbraw/zinc/00/22/97/587002297.db2.gz YYXOLDIFPJTAKH-HNNXBMFYSA-N 1 1 349.460 0.354 20 30 ECEDMO C#CCOCCNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000907346107 587035082 /nfs/dbraw/zinc/03/50/82/587035082.db2.gz QKXJGJJHUGMREZ-INIZCTEOSA-N 1 1 346.431 0.783 20 30 ECEDMO C#CCCCNC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000806918228 587111806 /nfs/dbraw/zinc/11/18/06/587111806.db2.gz WJFOFBMEPAXDNL-UHFFFAOYSA-N 1 1 348.491 0.583 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000807085683 587118500 /nfs/dbraw/zinc/11/85/00/587118500.db2.gz JBSLDNNKMVPOJL-MRXNPFEDSA-N 1 1 326.400 0.442 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000813855539 587263110 /nfs/dbraw/zinc/26/31/10/587263110.db2.gz QASHPMKDAWBERG-KRWDZBQOSA-N 1 1 332.448 0.934 20 30 ECEDMO CN(CCCN(C)C(=O)[C@@H](O)c1ccc(C#N)cc1)CC[NH+](C)C ZINC000813855539 587263112 /nfs/dbraw/zinc/26/31/12/587263112.db2.gz QASHPMKDAWBERG-KRWDZBQOSA-N 1 1 332.448 0.934 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815037436 587281508 /nfs/dbraw/zinc/28/15/08/587281508.db2.gz KMBCBSOGDSNBDV-UHFFFAOYSA-N 1 1 328.460 0.928 20 30 ECEDMO COCCOc1ccc(C#N)cc1NC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000819468358 587480053 /nfs/dbraw/zinc/48/00/53/587480053.db2.gz QVLRWSSXVVIAOY-INIZCTEOSA-N 1 1 348.447 0.604 20 30 ECEDMO C#CC[C@H](CO)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000820059386 587506365 /nfs/dbraw/zinc/50/63/65/587506365.db2.gz CSSFCDRMNLCCOI-CQSZACIVSA-N 1 1 339.436 0.430 20 30 ECEDMO C=C(C)[C@H](CO)[N@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000828150701 588161141 /nfs/dbraw/zinc/16/11/41/588161141.db2.gz LIIJXBHUHFPHRO-AWEZNQCLSA-N 1 1 341.452 0.935 20 30 ECEDMO C=C(C)[C@H](CO)[N@@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000828150701 588161142 /nfs/dbraw/zinc/16/11/42/588161142.db2.gz LIIJXBHUHFPHRO-AWEZNQCLSA-N 1 1 341.452 0.935 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000828529869 588187523 /nfs/dbraw/zinc/18/75/23/588187523.db2.gz WTCPNZYRFLPRJH-UHFFFAOYSA-N 1 1 341.864 0.968 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCO1 ZINC000829215929 588318960 /nfs/dbraw/zinc/31/89/60/588318960.db2.gz ZRUYBNRVEGDMCL-BHYGNILZSA-N 1 1 347.459 0.807 20 30 ECEDMO CCN(C(=O)C(=O)NCc1ccc(OC)c(C#N)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000829352218 588322334 /nfs/dbraw/zinc/32/23/34/588322334.db2.gz ZMNMWVFZCRFZLX-OAHLLOKOSA-N 1 1 344.415 0.736 20 30 ECEDMO C#CCN(CC(=O)N1CC[N@H+](CCO)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000832548162 588488461 /nfs/dbraw/zinc/48/84/61/588488461.db2.gz QSYPWDMPKMLHFM-CQSZACIVSA-N 1 1 339.436 0.382 20 30 ECEDMO C#CCN(CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000832548162 588488463 /nfs/dbraw/zinc/48/84/63/588488463.db2.gz QSYPWDMPKMLHFM-CQSZACIVSA-N 1 1 339.436 0.382 20 30 ECEDMO CCOC(=O)CN(C)C(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844371376 589109458 /nfs/dbraw/zinc/10/94/58/589109458.db2.gz YDZMXGAWCDKITR-HNNXBMFYSA-N 1 1 333.388 0.545 20 30 ECEDMO CCOC(=O)CN(C)C(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844371376 589109459 /nfs/dbraw/zinc/10/94/59/589109459.db2.gz YDZMXGAWCDKITR-HNNXBMFYSA-N 1 1 333.388 0.545 20 30 ECEDMO C=CCNC(=O)CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849578774 589341615 /nfs/dbraw/zinc/34/16/15/589341615.db2.gz XQNBEOGXJVOWAV-HZPDHXFCSA-N 1 1 347.463 0.652 20 30 ECEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851871904 589430187 /nfs/dbraw/zinc/43/01/87/589430187.db2.gz VUESRHYQNHASTK-WMZOPIPTSA-N 1 1 330.432 0.525 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000852681617 589505902 /nfs/dbraw/zinc/50/59/02/589505902.db2.gz ULEFFEKXBPZAFD-GOSISDBHSA-N 1 1 327.428 0.917 20 30 ECEDMO C#CCC[N@@H+](CCOC)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000852752485 589510063 /nfs/dbraw/zinc/51/00/63/589510063.db2.gz ACZXPPBFYDAUEM-UHFFFAOYSA-N 1 1 339.417 0.244 20 30 ECEDMO C#CCC[N@H+](CCOC)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000852752485 589510065 /nfs/dbraw/zinc/51/00/65/589510065.db2.gz ACZXPPBFYDAUEM-UHFFFAOYSA-N 1 1 339.417 0.244 20 30 ECEDMO C#C[C@@H](NC(=O)NC1CC[NH+](CCN(C)C)CC1)C1CCOCC1 ZINC000853301427 589540274 /nfs/dbraw/zinc/54/02/74/589540274.db2.gz CCSBOPWCSYJIRE-QGZVFWFLSA-N 1 1 336.480 0.740 20 30 ECEDMO Cc1cc(NCC[S@@](C)=O)c(C#N)c(NCC[S@@](C)=O)[nH+]1 ZINC000853345252 589541428 /nfs/dbraw/zinc/54/14/28/589541428.db2.gz PEGOLXWKAUUTPL-NHCUHLMSSA-N 1 1 328.463 0.843 20 30 ECEDMO C#C[C@H](CC)NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000854072261 589570245 /nfs/dbraw/zinc/57/02/45/589570245.db2.gz BHIYZDBDVLZYKA-MRXNPFEDSA-N 1 1 334.464 0.984 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C ZINC000854664068 589598742 /nfs/dbraw/zinc/59/87/42/589598742.db2.gz LPFLEBLPJJMUHY-CQSZACIVSA-N 1 1 329.466 0.164 20 30 ECEDMO C#C[C@H](CO)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000854772855 589605147 /nfs/dbraw/zinc/60/51/47/589605147.db2.gz BLPCGTKZOGRAMP-CYBMUJFWSA-N 1 1 325.409 0.040 20 30 ECEDMO CCc1noc(C[C@@]2(O)CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000856669783 589669451 /nfs/dbraw/zinc/66/94/51/589669451.db2.gz BZQJQPLHSGUORZ-GUYCJALGSA-N 1 1 349.435 0.762 20 30 ECEDMO CCc1noc(C[C@@]2(O)CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000856669783 589669452 /nfs/dbraw/zinc/66/94/52/589669452.db2.gz BZQJQPLHSGUORZ-GUYCJALGSA-N 1 1 349.435 0.762 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]3CCC[C@H]32)CC1 ZINC000859951115 589730879 /nfs/dbraw/zinc/73/08/79/589730879.db2.gz JOTYHHIUAIKEHO-YESZJQIVSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000859034510 589794446 /nfs/dbraw/zinc/79/44/46/589794446.db2.gz PILLUEMHPBGVLD-KBPBESRZSA-N 1 1 325.409 0.304 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000859034510 589794447 /nfs/dbraw/zinc/79/44/47/589794447.db2.gz PILLUEMHPBGVLD-KBPBESRZSA-N 1 1 325.409 0.304 20 30 ECEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](CN3CCOC3=O)C2)CCOCC1 ZINC000859318802 589820858 /nfs/dbraw/zinc/82/08/58/589820858.db2.gz JKXDQJNMBCQAAF-LSDHHAIUSA-N 1 1 337.420 0.832 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000867798196 589843877 /nfs/dbraw/zinc/84/38/77/589843877.db2.gz BTTFHABEFSFYEV-SJORKVTESA-N 1 1 340.427 0.921 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867798732 589844883 /nfs/dbraw/zinc/84/48/83/589844883.db2.gz GLUVDJPVFIFALE-KBPBESRZSA-N 1 1 325.478 0.965 20 30 ECEDMO C[C@@H](CCS(C)(=O)=O)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867944734 589864487 /nfs/dbraw/zinc/86/44/87/589864487.db2.gz HQVTVWWRPDQTMV-NHYWBVRUSA-N 1 1 335.429 0.684 20 30 ECEDMO CN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000867942315 589864497 /nfs/dbraw/zinc/86/44/97/589864497.db2.gz PGRNTIOUSIYDAL-HIFRSBDPSA-N 1 1 333.413 0.391 20 30 ECEDMO N#CCn1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cn1 ZINC000861994591 589912076 /nfs/dbraw/zinc/91/20/76/589912076.db2.gz AAOLEJVSSAZLOT-OAHLLOKOSA-N 1 1 344.419 0.868 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000868652889 589919429 /nfs/dbraw/zinc/91/94/29/589919429.db2.gz MNYQXTUBEGQOCW-OAHLLOKOSA-N 1 1 336.436 0.021 20 30 ECEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000862205896 589932469 /nfs/dbraw/zinc/93/24/69/589932469.db2.gz XUPBELJZOXHNRJ-STQMWFEESA-N 1 1 346.387 0.099 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c(Br)cnn1C ZINC000870312364 590011531 /nfs/dbraw/zinc/01/15/31/590011531.db2.gz OEASYPFGZVPQDZ-NSHDSACASA-N 1 1 325.210 0.896 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c(Br)cnn1C ZINC000870312364 590011534 /nfs/dbraw/zinc/01/15/34/590011534.db2.gz OEASYPFGZVPQDZ-NSHDSACASA-N 1 1 325.210 0.896 20 30 ECEDMO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1C#N ZINC000873744434 590199628 /nfs/dbraw/zinc/19/96/28/590199628.db2.gz OSTIESIFIMIQCU-LBPRGKRZSA-N 1 1 330.388 0.963 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)nn1CCC#N ZINC000874175552 590224802 /nfs/dbraw/zinc/22/48/02/590224802.db2.gz XBMKBOZTJQEZJC-KBPBESRZSA-N 1 1 344.419 0.596 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCO1 ZINC000875325928 590293189 /nfs/dbraw/zinc/29/31/89/590293189.db2.gz UHYYYWQNQPRGAQ-ULQDDVLXSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000875600688 590313636 /nfs/dbraw/zinc/31/36/36/590313636.db2.gz SXDNDHZLWMIQQM-ARFHVFGLSA-N 1 1 337.464 0.768 20 30 ECEDMO C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000879586429 590326060 /nfs/dbraw/zinc/32/60/60/590326060.db2.gz MDLIRIJGPLPFBI-ZDUSSCGKSA-N 1 1 327.388 0.621 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3OCCNC(=O)[C@H]32)cc1 ZINC000879718806 590338007 /nfs/dbraw/zinc/33/80/07/590338007.db2.gz ILEBLESRQRRQSS-WBVHZDCISA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3OCCNC(=O)[C@H]32)cc1 ZINC000879718806 590338010 /nfs/dbraw/zinc/33/80/10/590338010.db2.gz ILEBLESRQRRQSS-WBVHZDCISA-N 1 1 342.399 0.866 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)CC1 ZINC000880190099 590375884 /nfs/dbraw/zinc/37/58/84/590375884.db2.gz WRLQOHHPEGIVSK-OALUTQOASA-N 1 1 338.455 0.727 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)CC1 ZINC000880190099 590375886 /nfs/dbraw/zinc/37/58/86/590375886.db2.gz WRLQOHHPEGIVSK-OALUTQOASA-N 1 1 338.455 0.727 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000880480599 590395269 /nfs/dbraw/zinc/39/52/69/590395269.db2.gz YGWHQQIZCPBADS-UHFFFAOYSA-N 1 1 330.384 0.882 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000876660656 590395848 /nfs/dbraw/zinc/39/58/48/590395848.db2.gz XPDMAFIZRCAUNK-HIFRSBDPSA-N 1 1 333.413 0.438 20 30 ECEDMO COC(=O)[C@@]1(O)CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880566417 590405980 /nfs/dbraw/zinc/40/59/80/590405980.db2.gz JOPXTUGVLAWZQY-MAUKXSAKSA-N 1 1 343.383 0.663 20 30 ECEDMO COC(=O)[C@@]1(O)CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880566417 590405981 /nfs/dbraw/zinc/40/59/81/590405981.db2.gz JOPXTUGVLAWZQY-MAUKXSAKSA-N 1 1 343.383 0.663 20 30 ECEDMO C#C[C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000883912263 590683328 /nfs/dbraw/zinc/68/33/28/590683328.db2.gz LUAOLOLQWPVQHR-ROUUACIJSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884178588 590764370 /nfs/dbraw/zinc/76/43/70/590764370.db2.gz PLLAQNASCDKXTN-CVEARBPZSA-N 1 1 331.416 0.824 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000884204728 590773598 /nfs/dbraw/zinc/77/35/98/590773598.db2.gz CMXFEWFAXDADFB-PBHICJAKSA-N 1 1 345.443 0.996 20 30 ECEDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886048915 590788926 /nfs/dbraw/zinc/78/89/26/590788926.db2.gz APTDROWTAUXBQO-UONOGXRCSA-N 1 1 329.466 0.692 20 30 ECEDMO C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000886353503 590833777 /nfs/dbraw/zinc/83/37/77/590833777.db2.gz KLWBCSFANRGCDS-KFWWJZLASA-N 1 1 326.462 0.756 20 30 ECEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000886353503 590833780 /nfs/dbraw/zinc/83/37/80/590833780.db2.gz KLWBCSFANRGCDS-KFWWJZLASA-N 1 1 326.462 0.756 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000886361631 590835447 /nfs/dbraw/zinc/83/54/47/590835447.db2.gz PIGAVCWYXIXEBC-ZDUSSCGKSA-N 1 1 329.404 0.169 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](Nc2cc(C)nc3nc(C(=O)OC)nn32)C1 ZINC000884613473 590871790 /nfs/dbraw/zinc/87/17/90/590871790.db2.gz NKMCPLSFXSYPHT-LBPRGKRZSA-N 1 1 328.376 0.729 20 30 ECEDMO C[C@@]1(C#N)CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000887676581 590990919 /nfs/dbraw/zinc/99/09/19/590990919.db2.gz GUQCZVCACHTKNE-MSOLQXFVSA-N 1 1 329.400 0.764 20 30 ECEDMO CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCO[C@](C)(C#N)C1)n2C ZINC000887678973 590991700 /nfs/dbraw/zinc/99/17/00/590991700.db2.gz NQGYSMJSAJBPPW-MRXNPFEDSA-N 1 1 328.376 0.789 20 30 ECEDMO C#CC[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000888056770 591032757 /nfs/dbraw/zinc/03/27/57/591032757.db2.gz RVSSTVGKXYBPSG-CVEARBPZSA-N 1 1 334.464 0.984 20 30 ECEDMO N#Cc1ccccc1OCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889781508 591094373 /nfs/dbraw/zinc/09/43/73/591094373.db2.gz OVXCIYZPCFVQOF-HOTGVXAUSA-N 1 1 329.400 0.995 20 30 ECEDMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)n2)C1 ZINC000889793552 591097387 /nfs/dbraw/zinc/09/73/87/591097387.db2.gz NUDYYIJXRMVIBU-ZDUSSCGKSA-N 1 1 329.404 0.934 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@](C)(C(=O)OCC)C2)C1 ZINC000890361744 591151056 /nfs/dbraw/zinc/15/10/56/591151056.db2.gz YXUNCNVMCLYVPK-PBHICJAKSA-N 1 1 337.420 0.448 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@](C)(C(=O)OCC)C2)C1 ZINC000890361744 591151058 /nfs/dbraw/zinc/15/10/58/591151058.db2.gz YXUNCNVMCLYVPK-PBHICJAKSA-N 1 1 337.420 0.448 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(C(=O)N(C)OC)CC2)C1 ZINC000890364784 591151830 /nfs/dbraw/zinc/15/18/30/591151830.db2.gz ILAFVLHQQDHHGY-OAHLLOKOSA-N 1 1 336.436 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(C(=O)N(C)OC)CC2)C1 ZINC000890364784 591151832 /nfs/dbraw/zinc/15/18/32/591151832.db2.gz ILAFVLHQQDHHGY-OAHLLOKOSA-N 1 1 336.436 0.525 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(CCOC(C)C)CC2)C1 ZINC000890371468 591154887 /nfs/dbraw/zinc/15/48/87/591154887.db2.gz WATCKZLOYBWNSP-QGZVFWFLSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(CCOC(C)C)CC2)C1 ZINC000890371468 591154890 /nfs/dbraw/zinc/15/48/90/591154890.db2.gz WATCKZLOYBWNSP-QGZVFWFLSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 ZINC000890485654 591163357 /nfs/dbraw/zinc/16/33/57/591163357.db2.gz YIQBSBPKHIDRAO-INIZCTEOSA-N 1 1 349.456 0.480 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 ZINC000890485654 591163359 /nfs/dbraw/zinc/16/33/59/591163359.db2.gz YIQBSBPKHIDRAO-INIZCTEOSA-N 1 1 349.456 0.480 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1cc(C#N)cs1 ZINC000929893193 611364911 /nfs/dbraw/zinc/36/49/11/611364911.db2.gz QDEUTQRZCUKSII-UHFFFAOYSA-N 1 1 338.433 0.273 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946654051 611391413 /nfs/dbraw/zinc/39/14/13/611391413.db2.gz UOFGJZJIGYOJMA-IYBDPMFKSA-N 1 1 338.473 0.615 20 30 ECEDMO N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946689733 611415218 /nfs/dbraw/zinc/41/52/18/611415218.db2.gz HYJNPGWSESUBAT-FNYPPERVSA-N 1 1 344.459 0.544 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)c1 ZINC000946770961 611464759 /nfs/dbraw/zinc/46/47/59/611464759.db2.gz UEKZUKGPAKVVBS-GASCZTMLSA-N 1 1 326.400 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@@H]([C@@H](O)c3ccncc3)C2=O)C1 ZINC000925316223 611468494 /nfs/dbraw/zinc/46/84/94/611468494.db2.gz IYITXVPFGATFOE-KKUMJFAQSA-N 1 1 328.372 0.133 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H]([C@@H](O)c3ccncc3)C2=O)C1 ZINC000925316223 611468495 /nfs/dbraw/zinc/46/84/95/611468495.db2.gz IYITXVPFGATFOE-KKUMJFAQSA-N 1 1 328.372 0.133 20 30 ECEDMO N#CC[C@@]1(O)CC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000930818504 611467969 /nfs/dbraw/zinc/46/79/69/611467969.db2.gz IGARHOYOXUSYNI-GOSISDBHSA-N 1 1 343.383 0.650 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccn(C)n2)CC1 ZINC000946801494 611490864 /nfs/dbraw/zinc/49/08/64/611490864.db2.gz LLQITOKKVIGVRC-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccn(C)n2)CC1 ZINC000946801494 611490867 /nfs/dbraw/zinc/49/08/67/611490867.db2.gz LLQITOKKVIGVRC-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931053272 611501756 /nfs/dbraw/zinc/50/17/56/611501756.db2.gz UATBDDUGGPZZAK-CABCVRRESA-N 1 1 337.464 0.763 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000948293704 611505809 /nfs/dbraw/zinc/50/58/09/611505809.db2.gz ZWANMNPUKTYGFR-OAHLLOKOSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000931151664 611511836 /nfs/dbraw/zinc/51/18/36/611511836.db2.gz ZZTPUCLFCJUZMR-MRXNPFEDSA-N 1 1 332.448 0.139 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000948306949 611512357 /nfs/dbraw/zinc/51/23/57/611512357.db2.gz SKXCMQXTRHVXQV-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3OCCNC(=O)[C@H]32)cc1 ZINC000931561723 611550354 /nfs/dbraw/zinc/55/03/54/611550354.db2.gz FVCVUOPLZQGDOE-WMZOPIPTSA-N 1 1 341.411 0.976 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3OCCNC(=O)[C@H]32)cc1 ZINC000931561723 611550355 /nfs/dbraw/zinc/55/03/55/611550355.db2.gz FVCVUOPLZQGDOE-WMZOPIPTSA-N 1 1 341.411 0.976 20 30 ECEDMO COC1(OC)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1O ZINC000931636083 611559185 /nfs/dbraw/zinc/55/91/85/611559185.db2.gz MSKGSYWEPDQFJP-OAHLLOKOSA-N 1 1 333.388 0.943 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C ZINC000947496656 611566119 /nfs/dbraw/zinc/56/61/19/611566119.db2.gz CSADUBYZZHIPLG-MNOVXSKESA-N 1 1 327.406 0.696 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000931821943 611572551 /nfs/dbraw/zinc/57/25/51/611572551.db2.gz SODDWGKRPJHIRT-PMPSAXMXSA-N 1 1 349.500 0.944 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000931821943 611572555 /nfs/dbraw/zinc/57/25/55/611572555.db2.gz SODDWGKRPJHIRT-PMPSAXMXSA-N 1 1 349.500 0.944 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 ZINC000949233598 608592322 /nfs/dbraw/zinc/59/23/22/608592322.db2.gz UFUSAABFBFVQPQ-ZDUSSCGKSA-N 1 1 341.839 0.711 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccnc3c2nnn3C)C[C@@H]1C ZINC000947663727 611641160 /nfs/dbraw/zinc/64/11/60/611641160.db2.gz YKMRIVMAAZGOPY-STQMWFEESA-N 1 1 326.404 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC000936461246 608643222 /nfs/dbraw/zinc/64/32/22/608643222.db2.gz CIUHBIGJYGEAMX-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC000936461246 608643225 /nfs/dbraw/zinc/64/32/25/608643225.db2.gz CIUHBIGJYGEAMX-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@H](C)C2)nn1 ZINC000947792318 608741612 /nfs/dbraw/zinc/74/16/12/608741612.db2.gz KWMAPNKPJQNYAP-OLZOCXBDSA-N 1 1 334.424 0.135 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC000947464542 608765172 /nfs/dbraw/zinc/76/51/72/608765172.db2.gz VYRHEXVYRRUVGW-NWDGAFQWSA-N 1 1 327.816 0.303 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC000947464542 608765174 /nfs/dbraw/zinc/76/51/74/608765174.db2.gz VYRHEXVYRRUVGW-NWDGAFQWSA-N 1 1 327.816 0.303 20 30 ECEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@H]1CS(N)(=O)=O ZINC000933699482 608768881 /nfs/dbraw/zinc/76/88/81/608768881.db2.gz IRLUEIORTOIHQV-KGLIPLIRSA-N 1 1 329.466 0.943 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)[C@H](C)C2)nn1 ZINC000947796411 608781642 /nfs/dbraw/zinc/78/16/42/608781642.db2.gz LUFHFNJCEHISHK-OLZOCXBDSA-N 1 1 334.424 0.183 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)[C@H](C)C2)nn1 ZINC000947796411 608781645 /nfs/dbraw/zinc/78/16/45/608781645.db2.gz LUFHFNJCEHISHK-OLZOCXBDSA-N 1 1 334.424 0.183 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2-n2cnnn2)C[C@H]1C ZINC000947479978 608785970 /nfs/dbraw/zinc/78/59/70/608785970.db2.gz QVYYGBCYFHIKOI-VXGBXAGGSA-N 1 1 330.417 0.940 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cncs2)CC1 ZINC000947229716 608793018 /nfs/dbraw/zinc/79/30/18/608793018.db2.gz HBNHPVAZBOBMIR-AWEZNQCLSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2cncs2)CC1 ZINC000947229716 608793021 /nfs/dbraw/zinc/79/30/21/608793021.db2.gz HBNHPVAZBOBMIR-AWEZNQCLSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000947229648 608793124 /nfs/dbraw/zinc/79/31/24/608793124.db2.gz GHDZPDYNAXAJJN-WBVHZDCISA-N 1 1 346.475 0.143 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)[C@@H](C)C2)c1 ZINC000947710167 611662152 /nfs/dbraw/zinc/66/21/52/611662152.db2.gz KWIHVOXSFKXVAX-WMLDXEAASA-N 1 1 338.415 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2nccs2)CC1 ZINC000947230420 608821009 /nfs/dbraw/zinc/82/10/09/608821009.db2.gz PTZZMRSWZIMFCJ-AWEZNQCLSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2nccs2)CC1 ZINC000947230420 608821014 /nfs/dbraw/zinc/82/10/14/608821014.db2.gz PTZZMRSWZIMFCJ-AWEZNQCLSA-N 1 1 346.456 0.962 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)[C@H](C)C2)c1 ZINC000947711425 611662892 /nfs/dbraw/zinc/66/28/92/611662892.db2.gz WBQSXUUDNNPXKU-CXAGYDPISA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H](C)C2)c1 ZINC000947711425 611662895 /nfs/dbraw/zinc/66/28/95/611662895.db2.gz WBQSXUUDNNPXKU-CXAGYDPISA-N 1 1 340.427 0.924 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@@H]1C ZINC000947523335 608857299 /nfs/dbraw/zinc/85/72/99/608857299.db2.gz AQFHIMPXHPKDBQ-LSDHHAIUSA-N 1 1 346.431 0.496 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C ZINC000947523334 608857437 /nfs/dbraw/zinc/85/74/37/608857437.db2.gz AQFHIMPXHPKDBQ-HUUCEWRRSA-N 1 1 346.431 0.496 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000937005567 608884662 /nfs/dbraw/zinc/88/46/62/608884662.db2.gz LGGSFGHXSPPEDW-HUUCEWRRSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000937005567 608884667 /nfs/dbraw/zinc/88/46/67/608884667.db2.gz LGGSFGHXSPPEDW-HUUCEWRRSA-N 1 1 335.448 0.733 20 30 ECEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC#CCO ZINC000923779340 608931734 /nfs/dbraw/zinc/93/17/34/608931734.db2.gz QARMBSGAZNYYFG-MRXNPFEDSA-N 1 1 330.432 0.492 20 30 ECEDMO C=CCCC[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000924559151 608937744 /nfs/dbraw/zinc/93/77/44/608937744.db2.gz GFSXSTJOCGRVRG-UONOGXRCSA-N 1 1 336.436 0.851 20 30 ECEDMO C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCN3CCSC[C@H]23)CC1 ZINC000925173804 608943507 /nfs/dbraw/zinc/94/35/07/608943507.db2.gz ZIHNKJCZFGBZQM-JKSUJKDBSA-N 1 1 336.505 0.963 20 30 ECEDMO CN1CC[N@@H+](CCCNC(=O)NCC#CCO)[C@H](c2ccccc2)C1 ZINC000923786017 608948383 /nfs/dbraw/zinc/94/83/83/608948383.db2.gz PAJHQSAPBXXNLG-SFHVURJKSA-N 1 1 344.459 0.660 20 30 ECEDMO C[N@@H+]1CCN(CCCNC(=O)NCC#CCO)[C@H](c2ccccc2)C1 ZINC000923786017 608948385 /nfs/dbraw/zinc/94/83/85/608948385.db2.gz PAJHQSAPBXXNLG-SFHVURJKSA-N 1 1 344.459 0.660 20 30 ECEDMO C[N@H+]1CCN(CCCNC(=O)NCC#CCO)[C@H](c2ccccc2)C1 ZINC000923786017 608948388 /nfs/dbraw/zinc/94/83/88/608948388.db2.gz PAJHQSAPBXXNLG-SFHVURJKSA-N 1 1 344.459 0.660 20 30 ECEDMO C#CC[C@H]1NC(=O)N(Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1=O ZINC000925277210 608981531 /nfs/dbraw/zinc/98/15/31/608981531.db2.gz SKHLABIBVWFFDR-QGZVFWFLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)on2)C1 ZINC000937650086 608991773 /nfs/dbraw/zinc/99/17/73/608991773.db2.gz LRTMBZWYFNDLQK-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(C)on2)C1 ZINC000937650086 608991775 /nfs/dbraw/zinc/99/17/75/608991775.db2.gz LRTMBZWYFNDLQK-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)CC[N@H+]1C ZINC000937139222 608998662 /nfs/dbraw/zinc/99/86/62/608998662.db2.gz RRWGKCWMJJLTJE-LUKYLMHMSA-N 1 1 329.444 0.942 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C[C@@H]1C ZINC000947731509 609011112 /nfs/dbraw/zinc/01/11/12/609011112.db2.gz MTQQKFWGINJKGM-UONOGXRCSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)[C@@H](C)C2)cc1 ZINC000947778916 609025156 /nfs/dbraw/zinc/02/51/56/609025156.db2.gz LFQBRDLOZLXVQZ-DZGCQCFKSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)[C@@H](C)C2)cc1 ZINC000947778916 609025160 /nfs/dbraw/zinc/02/51/60/609025160.db2.gz LFQBRDLOZLXVQZ-DZGCQCFKSA-N 1 1 329.400 0.767 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C)cc1C#N ZINC000947667335 609041090 /nfs/dbraw/zinc/04/10/90/609041090.db2.gz QHKGEXUZXFKAIB-RISCZKNCSA-N 1 1 330.388 0.521 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cncn3C)[C@@H](C)C2)nn1 ZINC000947792083 611692602 /nfs/dbraw/zinc/69/26/02/611692602.db2.gz IEZIYZGZDNZFOV-UONOGXRCSA-N 1 1 343.435 0.981 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937983963 609438228 /nfs/dbraw/zinc/43/82/28/609438228.db2.gz BNQHCDBJTVEXJO-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2[nH]c(C)nc2C)C1 ZINC000938170570 609482130 /nfs/dbraw/zinc/48/21/30/609482130.db2.gz KGNOMRPLELBKIL-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2[nH]c(C)nc2C)C1 ZINC000938170570 609482132 /nfs/dbraw/zinc/48/21/32/609482132.db2.gz KGNOMRPLELBKIL-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2conc2C)C1 ZINC000938171132 609483258 /nfs/dbraw/zinc/48/32/58/609483258.db2.gz XOAUJUXUKNDCCC-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2conc2C)C1 ZINC000938171132 609483259 /nfs/dbraw/zinc/48/32/59/609483259.db2.gz XOAUJUXUKNDCCC-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000938247907 609578261 /nfs/dbraw/zinc/57/82/61/609578261.db2.gz JFNACHVRXINVPF-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000938247907 609578263 /nfs/dbraw/zinc/57/82/63/609578263.db2.gz JFNACHVRXINVPF-KBPBESRZSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)n1 ZINC000907838269 609625489 /nfs/dbraw/zinc/62/54/89/609625489.db2.gz IHMOTTUTYTXNCE-SFHVURJKSA-N 1 1 348.447 0.338 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cn1 ZINC000908006268 609635455 /nfs/dbraw/zinc/63/54/55/609635455.db2.gz CTRNTRDQOLOIHH-GJZGRUSLSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cn1 ZINC000908006268 609635456 /nfs/dbraw/zinc/63/54/56/609635456.db2.gz CTRNTRDQOLOIHH-GJZGRUSLSA-N 1 1 336.417 0.173 20 30 ECEDMO CC(C)(CC#N)CS(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908015587 609637842 /nfs/dbraw/zinc/63/78/42/609637842.db2.gz QWTFMXGJTPXNLK-KBPBESRZSA-N 1 1 329.466 0.787 20 30 ECEDMO C=CCn1c(-c2cn(C)nn2)nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000908695065 609657742 /nfs/dbraw/zinc/65/77/42/609657742.db2.gz KSTNSMHEUMBWFP-WBMJQRKESA-N 1 1 328.424 0.648 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C ZINC000919948816 609666046 /nfs/dbraw/zinc/66/60/46/609666046.db2.gz WULILOKDKVQMGM-GJZGRUSLSA-N 1 1 337.445 0.660 20 30 ECEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000919948816 609666047 /nfs/dbraw/zinc/66/60/47/609666047.db2.gz WULILOKDKVQMGM-GJZGRUSLSA-N 1 1 337.445 0.660 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000919975194 609667298 /nfs/dbraw/zinc/66/72/98/609667298.db2.gz UFHZDWBCQGPAES-HIFRSBDPSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cccc(C#N)c1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000919975194 609667299 /nfs/dbraw/zinc/66/72/99/609667299.db2.gz UFHZDWBCQGPAES-HIFRSBDPSA-N 1 1 336.461 0.779 20 30 ECEDMO C[C@H](NS(=O)(=O)c1cccc(CC#N)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000919990276 609669000 /nfs/dbraw/zinc/66/90/00/609669000.db2.gz PKFPBBRKQODHNI-BBRMVZONSA-N 1 1 336.461 0.665 20 30 ECEDMO C[C@H](NS(=O)(=O)c1cccc(CC#N)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919990276 609669002 /nfs/dbraw/zinc/66/90/02/609669002.db2.gz PKFPBBRKQODHNI-BBRMVZONSA-N 1 1 336.461 0.665 20 30 ECEDMO C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@H]1C[N@H+](C)CCN1C ZINC000920017270 609670713 /nfs/dbraw/zinc/67/07/13/609670713.db2.gz APAIVAUVYQXGTL-XJKSGUPXSA-N 1 1 336.461 0.612 20 30 ECEDMO C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000920017270 609670715 /nfs/dbraw/zinc/67/07/15/609670715.db2.gz APAIVAUVYQXGTL-XJKSGUPXSA-N 1 1 336.461 0.612 20 30 ECEDMO C=C(Cl)C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)OCC ZINC000913438791 609671788 /nfs/dbraw/zinc/67/17/88/609671788.db2.gz XACJXQRGVLGMRQ-CYBMUJFWSA-N 1 1 331.844 0.670 20 30 ECEDMO C=C(Cl)C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)OCC ZINC000913438792 609671835 /nfs/dbraw/zinc/67/18/35/609671835.db2.gz XACJXQRGVLGMRQ-ZDUSSCGKSA-N 1 1 331.844 0.670 20 30 ECEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920257816 609676527 /nfs/dbraw/zinc/67/65/27/609676527.db2.gz LZOINHNNCNKFJH-ZDUSSCGKSA-N 1 1 344.415 0.706 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C[C@@H]1C ZINC000947853516 611719026 /nfs/dbraw/zinc/71/90/26/611719026.db2.gz RLRQCBGOAZFWMU-HOCLYGCPSA-N 1 1 330.432 0.853 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C ZINC000947853514 611719042 /nfs/dbraw/zinc/71/90/42/611719042.db2.gz RLRQCBGOAZFWMU-GDBMZVCRSA-N 1 1 330.432 0.853 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000938539294 609857128 /nfs/dbraw/zinc/85/71/28/609857128.db2.gz GTJTTXCBPMFBJY-JKSUJKDBSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000938540599 609858979 /nfs/dbraw/zinc/85/89/79/609858979.db2.gz YYZQTPXJSYZMHP-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO CC[N@@H+](CCO)CCNS(=O)(=O)Cc1c(C)cc(C#N)cc1C ZINC000914384900 609882541 /nfs/dbraw/zinc/88/25/41/609882541.db2.gz JAHQPKQUFBBIGZ-UHFFFAOYSA-N 1 1 339.461 0.909 20 30 ECEDMO C#CCC1(NC(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)CCOCC1 ZINC000925422502 609907023 /nfs/dbraw/zinc/90/70/23/609907023.db2.gz ZAJKJEJTZCZBIA-OAHLLOKOSA-N 1 1 336.432 0.950 20 30 ECEDMO C#CCC1(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)CCOCC1 ZINC000925422502 609907024 /nfs/dbraw/zinc/90/70/24/609907024.db2.gz ZAJKJEJTZCZBIA-OAHLLOKOSA-N 1 1 336.432 0.950 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000915542674 609915312 /nfs/dbraw/zinc/91/53/12/609915312.db2.gz NETUAFRNSMFCEW-INIZCTEOSA-N 1 1 345.447 0.277 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)C1CCC(C(=O)OC)CC1 ZINC000915905790 609927008 /nfs/dbraw/zinc/92/70/08/609927008.db2.gz SAYOBTBKJIWZLR-UHFFFAOYSA-N 1 1 330.450 0.593 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000912299588 609944970 /nfs/dbraw/zinc/94/49/70/609944970.db2.gz AWNZOBHMKPEWFY-BLLLJJGKSA-N 1 1 334.445 0.723 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000938704027 609952370 /nfs/dbraw/zinc/95/23/70/609952370.db2.gz ZFWORKLRYDLILX-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]nc2C)C1 ZINC000938753803 609972554 /nfs/dbraw/zinc/97/25/54/609972554.db2.gz AZVUKHFHTQPZQL-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]nc2C)C1 ZINC000938753803 609972557 /nfs/dbraw/zinc/97/25/57/609972557.db2.gz AZVUKHFHTQPZQL-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2nonc2C)C1 ZINC000938753786 609972859 /nfs/dbraw/zinc/97/28/59/609972859.db2.gz ARFBYSXIRDJUBR-KGLIPLIRSA-N 1 1 345.403 0.149 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2nonc2C)C1 ZINC000938753786 609972863 /nfs/dbraw/zinc/97/28/63/609972863.db2.gz ARFBYSXIRDJUBR-KGLIPLIRSA-N 1 1 345.403 0.149 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000918359706 610004014 /nfs/dbraw/zinc/00/40/14/610004014.db2.gz HOMIDLGZHSYGGC-GASCZTMLSA-N 1 1 344.481 0.367 20 30 ECEDMO C#CC1(O)CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000912970099 610025978 /nfs/dbraw/zinc/02/59/78/610025978.db2.gz XQCDFANGPWKBQE-UHFFFAOYSA-N 1 1 327.388 0.635 20 30 ECEDMO CC(C)(C(=O)NC[C@]1(CO)COCC[NH2+]1)c1cc(F)cc(C#N)c1 ZINC000913181759 610045785 /nfs/dbraw/zinc/04/57/85/610045785.db2.gz QNPITZMSIBTTGC-KRWDZBQOSA-N 1 1 335.379 0.442 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2nocc2C)C1 ZINC000939670188 610081947 /nfs/dbraw/zinc/08/19/47/610081947.db2.gz DENQMCATCUZNEQ-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2nocc2C)C1 ZINC000939670188 610081949 /nfs/dbraw/zinc/08/19/49/610081949.db2.gz DENQMCATCUZNEQ-CABCVRRESA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2cnoc2)C1 ZINC000939257308 610132226 /nfs/dbraw/zinc/13/22/26/610132226.db2.gz FAVPJIYDFZPGQN-BMFZPTHFSA-N 1 1 344.415 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2cnoc2)C1 ZINC000939257308 610132227 /nfs/dbraw/zinc/13/22/27/610132227.db2.gz FAVPJIYDFZPGQN-BMFZPTHFSA-N 1 1 344.415 0.278 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)nn1 ZINC000939292508 610149227 /nfs/dbraw/zinc/14/92/27/610149227.db2.gz LLQAKIVDFYKHER-DGCLKSJQSA-N 1 1 344.423 0.531 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nonc3C)C2)nn1 ZINC000939293425 610149521 /nfs/dbraw/zinc/14/95/21/610149521.db2.gz UAJYRXSZGAOXQY-RISCZKNCSA-N 1 1 345.407 0.796 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000939853689 610152554 /nfs/dbraw/zinc/15/25/54/610152554.db2.gz CIPVPEVHWKEBGW-FPCVCCKLSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000939853689 610152556 /nfs/dbraw/zinc/15/25/56/610152556.db2.gz CIPVPEVHWKEBGW-FPCVCCKLSA-N 1 1 333.432 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ocnc2C)C1 ZINC000939909716 610169308 /nfs/dbraw/zinc/16/93/08/610169308.db2.gz JBJFDTAADINCBF-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ocnc2C)C1 ZINC000939909716 610169309 /nfs/dbraw/zinc/16/93/09/610169309.db2.gz JBJFDTAADINCBF-KGLIPLIRSA-N 1 1 330.388 0.411 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000939560366 610235598 /nfs/dbraw/zinc/23/55/98/610235598.db2.gz OWQRKNZFHPVBEW-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000939573024 610241032 /nfs/dbraw/zinc/24/10/32/610241032.db2.gz APJOYIJOPJOYLC-GJZGRUSLSA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000939573024 610241033 /nfs/dbraw/zinc/24/10/33/610241033.db2.gz APJOYIJOPJOYLC-GJZGRUSLSA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000940470001 610286930 /nfs/dbraw/zinc/28/69/30/610286930.db2.gz CUXRAGARWFFNOC-CVEARBPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000940470001 610286931 /nfs/dbraw/zinc/28/69/31/610286931.db2.gz CUXRAGARWFFNOC-CVEARBPZSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC000940507134 610293249 /nfs/dbraw/zinc/29/32/49/610293249.db2.gz QNSACMDOHXPINF-UONOGXRCSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc4n3CCC4)CC2)C1 ZINC000941440145 610316433 /nfs/dbraw/zinc/31/64/33/610316433.db2.gz AJQXXDABACFECV-UHFFFAOYSA-N 1 1 327.432 0.295 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3CC)CC2)C1 ZINC000941448582 610323440 /nfs/dbraw/zinc/32/34/40/610323440.db2.gz DJKYIYJYPCPRKA-UHFFFAOYSA-N 1 1 329.448 0.448 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000940651771 610324138 /nfs/dbraw/zinc/32/41/38/610324138.db2.gz LUTPADQOEUXTEP-ZFWWWQNUSA-N 1 1 343.431 0.759 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnc4n[nH]cc4c3)CC2)C1 ZINC000941450660 610324904 /nfs/dbraw/zinc/32/49/04/610324904.db2.gz CVLREFFENSYTFE-UHFFFAOYSA-N 1 1 340.431 0.976 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940686921 610330416 /nfs/dbraw/zinc/33/04/16/610330416.db2.gz PYSMEKWSNZAOHJ-SMDDNHRTSA-N 1 1 331.420 0.851 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnn4c3OCCC4)CC2)C1 ZINC000941475039 610331867 /nfs/dbraw/zinc/33/18/67/610331867.db2.gz KAJOZSAHPWMASN-UHFFFAOYSA-N 1 1 345.447 0.684 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(n3)OCCO4)CC2)C1 ZINC000941475675 610332230 /nfs/dbraw/zinc/33/22/30/610332230.db2.gz UMHJRZJWYFCYSU-UHFFFAOYSA-N 1 1 344.415 0.481 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940692612 610332689 /nfs/dbraw/zinc/33/26/89/610332689.db2.gz AUIBWWXCPNHBNR-CABCVRRESA-N 1 1 343.431 0.995 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940692777 610333132 /nfs/dbraw/zinc/33/31/32/610333132.db2.gz HNAGYSFLEZTCGS-CQSZACIVSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)C1 ZINC000941466143 610334312 /nfs/dbraw/zinc/33/43/12/610334312.db2.gz SITFPABHWUVNAD-HNNXBMFYSA-N 1 1 329.448 0.460 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cn3nc(C)cc3C)CC2)C1 ZINC000941480524 610335313 /nfs/dbraw/zinc/33/53/13/610335313.db2.gz NUHCITZYLCURAD-UHFFFAOYSA-N 1 1 331.464 0.904 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3ccn(CCOC)n3)CC2)C1 ZINC000941483762 610336922 /nfs/dbraw/zinc/33/69/22/610336922.db2.gz GVCLWQHGCIOJDX-UHFFFAOYSA-N 1 1 347.463 0.548 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N[C@@H](CC)C3)CC2)C1 ZINC000941499324 610344296 /nfs/dbraw/zinc/34/42/96/610344296.db2.gz SIKKAKSRMIZMEY-GJZGRUSLSA-N 1 1 334.464 0.306 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC000941500468 610344927 /nfs/dbraw/zinc/34/49/27/610344927.db2.gz UNWDDVARFUAHOE-UHFFFAOYSA-N 1 1 332.452 0.245 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](OC)c3cnn(C)c3)CC2)C1 ZINC000941502338 610345599 /nfs/dbraw/zinc/34/55/99/610345599.db2.gz QMGBATZFMNSTIT-QGZVFWFLSA-N 1 1 347.463 0.512 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC000941513817 610352844 /nfs/dbraw/zinc/35/28/44/610352844.db2.gz SVUOSSBHCDWUSZ-HNNXBMFYSA-N 1 1 334.464 0.402 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000940789399 610363426 /nfs/dbraw/zinc/36/34/26/610363426.db2.gz LQVIQFXEHUHIBG-AWEZNQCLSA-N 1 1 343.431 0.903 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000940789720 610363633 /nfs/dbraw/zinc/36/36/33/610363633.db2.gz YQRYCWVVATVQBQ-ZDUSSCGKSA-N 1 1 329.404 0.513 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 ZINC000940807320 610372384 /nfs/dbraw/zinc/37/23/84/610372384.db2.gz LMHNPEKZOHPMEX-QWRGUYRKSA-N 1 1 342.827 0.554 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 ZINC000940807320 610372386 /nfs/dbraw/zinc/37/23/86/610372386.db2.gz LMHNPEKZOHPMEX-QWRGUYRKSA-N 1 1 342.827 0.554 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H](C)C1 ZINC000942285532 610373850 /nfs/dbraw/zinc/37/38/50/610373850.db2.gz DGZPBLFEEKMEFQ-YPMHNXCESA-N 1 1 328.372 0.486 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cn3ccnc3C(C)C)CC2)C1 ZINC000941590408 610386855 /nfs/dbraw/zinc/38/68/55/610386855.db2.gz OMNFAVLDBFSAPY-UHFFFAOYSA-N 1 1 343.475 0.858 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3nn(C)c4c3CCCC4)CC2)C1 ZINC000941578529 610391520 /nfs/dbraw/zinc/39/15/20/610391520.db2.gz LIPNYJYQZMOKME-UHFFFAOYSA-N 1 1 343.475 0.927 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CCOCC2)CC1 ZINC000940841589 610395584 /nfs/dbraw/zinc/39/55/84/610395584.db2.gz SZAXHCLXBXCZOG-KRWDZBQOSA-N 1 1 345.443 0.492 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C2=CCOCC2)CC1 ZINC000940841589 610395587 /nfs/dbraw/zinc/39/55/87/610395587.db2.gz SZAXHCLXBXCZOG-KRWDZBQOSA-N 1 1 345.443 0.492 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC000941599126 610400209 /nfs/dbraw/zinc/40/02/09/610400209.db2.gz PDFPDYFPNXYURU-MRXNPFEDSA-N 1 1 337.383 0.599 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)C(C)(C)C1 ZINC000940867739 610403615 /nfs/dbraw/zinc/40/36/15/610403615.db2.gz KDWHXNYIUOODEH-OAHLLOKOSA-N 1 1 330.432 0.978 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C(C)(C)C1 ZINC000940869017 610404549 /nfs/dbraw/zinc/40/45/49/610404549.db2.gz AUUOBDNCRUDVJB-CQSZACIVSA-N 1 1 342.399 0.876 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000941606556 610404841 /nfs/dbraw/zinc/40/48/41/610404841.db2.gz YEHZKGKJIWTKCD-QWHCGFSZSA-N 1 1 329.404 0.639 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccnc(NC(C)=O)c3)CC2)C1 ZINC000941610882 610407156 /nfs/dbraw/zinc/40/71/56/610407156.db2.gz BQCLEQRFIZJTEU-UHFFFAOYSA-N 1 1 343.431 0.668 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn(C(F)F)c3)CC2)C1 ZINC000941617951 610413207 /nfs/dbraw/zinc/41/32/07/610413207.db2.gz MWJQGMNTYIEASU-UHFFFAOYSA-N 1 1 325.363 0.906 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941635823 610421196 /nfs/dbraw/zinc/42/11/96/610421196.db2.gz ZCGHVXZKURWMPN-UHFFFAOYSA-N 1 1 346.431 0.081 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3conc3COC)CC2)C1 ZINC000941636419 610422158 /nfs/dbraw/zinc/42/21/58/610422158.db2.gz LFASIOCTVRWOKG-UHFFFAOYSA-N 1 1 334.420 0.839 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC000941638291 610423436 /nfs/dbraw/zinc/42/34/36/610423436.db2.gz AUBQUUSSRGHVCK-OAHLLOKOSA-N 1 1 341.459 0.366 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cn(CCC)nn3)CC2)C1 ZINC000941620415 610425486 /nfs/dbraw/zinc/42/54/86/610425486.db2.gz GRZLLIZNCBUZLG-UHFFFAOYSA-N 1 1 332.452 0.706 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](C)C1 ZINC000942393836 610433588 /nfs/dbraw/zinc/43/35/88/610433588.db2.gz PGUOMQXIHDNKNU-KGLIPLIRSA-N 1 1 334.420 0.516 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@@H](C)C1 ZINC000942393164 610433696 /nfs/dbraw/zinc/43/36/96/610433696.db2.gz NGHPYZSONBDSQJ-BBRMVZONSA-N 1 1 329.400 0.624 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000941648786 610440085 /nfs/dbraw/zinc/44/00/85/610440085.db2.gz ADUBXXUCIJAZMR-INIZCTEOSA-N 1 1 348.491 0.840 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000941653314 610442807 /nfs/dbraw/zinc/44/28/07/610442807.db2.gz OEXXZTAMZJRNNR-MRXNPFEDSA-N 1 1 346.475 0.287 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC000941690278 610465561 /nfs/dbraw/zinc/46/55/61/610465561.db2.gz IDTSVFOOOIWEBT-UHFFFAOYSA-N 1 1 332.452 0.625 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)CC[C@H]1NC(=O)C(N)=O ZINC000940996967 610476067 /nfs/dbraw/zinc/47/60/67/610476067.db2.gz LGMGUAYBJADTEM-CQSZACIVSA-N 1 1 332.379 0.899 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@H]1NC(=O)C(N)=O ZINC000940996967 610476069 /nfs/dbraw/zinc/47/60/69/610476069.db2.gz LGMGUAYBJADTEM-CQSZACIVSA-N 1 1 332.379 0.899 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000942497419 610482274 /nfs/dbraw/zinc/48/22/74/610482274.db2.gz RZAPYZQUOAKORN-GJZGRUSLSA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C(C)(C)C1 ZINC000940984607 610481426 /nfs/dbraw/zinc/48/14/26/610481426.db2.gz MDFDHQKVELTAEX-CJNGLKHVSA-N 1 1 329.448 0.770 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cn3ccnn3)o2)[C@@H](C)C1 ZINC000942526866 610498935 /nfs/dbraw/zinc/49/89/35/610498935.db2.gz CLLIVQOORIEZNP-DZGCQCFKSA-N 1 1 327.388 0.993 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562415 610518908 /nfs/dbraw/zinc/51/89/08/610518908.db2.gz LDKOIEOJMHCJGN-IUODEOHRSA-N 1 1 339.403 0.722 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 ZINC000941067320 610524186 /nfs/dbraw/zinc/52/41/86/610524186.db2.gz ARXFSAZXGTYYQP-CYBMUJFWSA-N 1 1 334.420 0.100 20 30 ECEDMO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000942596063 610534224 /nfs/dbraw/zinc/53/42/24/610534224.db2.gz QPAHIUXORXUFOP-BZUAXINKSA-N 1 1 333.432 0.226 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000941103008 610537697 /nfs/dbraw/zinc/53/76/97/610537697.db2.gz LRPJWEVDOTZABM-ZACQAIPSSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000941103425 610538171 /nfs/dbraw/zinc/53/81/71/610538171.db2.gz ZDZVRLYYHAKNNL-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000941161738 610569721 /nfs/dbraw/zinc/56/97/21/610569721.db2.gz TTYUZFKHJDGWLT-CYBMUJFWSA-N 1 1 336.436 0.673 20 30 ECEDMO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966854 610581589 /nfs/dbraw/zinc/58/15/89/610581589.db2.gz OHPNJJMHDPUWQM-OCCSQVGLSA-N 1 1 327.392 0.618 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000941230721 610602313 /nfs/dbraw/zinc/60/23/13/610602313.db2.gz JQTZCFYBMCNVMV-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941226386 610610375 /nfs/dbraw/zinc/61/03/75/610610375.db2.gz OCYKBKWAZPODQV-OLZOCXBDSA-N 1 1 329.466 0.471 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cncs2)C1 ZINC000941241382 610614355 /nfs/dbraw/zinc/61/43/55/610614355.db2.gz BHOSWFJMGJZPFM-HIFRSBDPSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cncs2)C1 ZINC000941241382 610614357 /nfs/dbraw/zinc/61/43/57/610614357.db2.gz BHOSWFJMGJZPFM-HIFRSBDPSA-N 1 1 346.456 0.500 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC000941245462 610616055 /nfs/dbraw/zinc/61/60/55/610616055.db2.gz OSUWTFOPDPIVHU-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC000941245462 610616056 /nfs/dbraw/zinc/61/60/56/610616056.db2.gz OSUWTFOPDPIVHU-CVEARBPZSA-N 1 1 343.431 0.088 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000942027337 610620081 /nfs/dbraw/zinc/62/00/81/610620081.db2.gz YSHZLPHPXKDASF-CABCVRRESA-N 1 1 336.436 0.316 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000942027337 610620083 /nfs/dbraw/zinc/62/00/83/610620083.db2.gz YSHZLPHPXKDASF-CABCVRRESA-N 1 1 336.436 0.316 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cc(C)on2)C1 ZINC000941237718 610621610 /nfs/dbraw/zinc/62/16/10/610621610.db2.gz HMPLZYNHDMGQGZ-ZBFHGGJFSA-N 1 1 344.415 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2cc(C)on2)C1 ZINC000941237718 610621613 /nfs/dbraw/zinc/62/16/13/610621613.db2.gz HMPLZYNHDMGQGZ-ZBFHGGJFSA-N 1 1 344.415 0.340 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](C)C1 ZINC000942053608 610630714 /nfs/dbraw/zinc/63/07/14/610630714.db2.gz RMZVFRRABWSGNH-KOLCDFICSA-N 1 1 343.229 0.408 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](C)C1 ZINC000942053608 610630715 /nfs/dbraw/zinc/63/07/15/610630715.db2.gz RMZVFRRABWSGNH-KOLCDFICSA-N 1 1 343.229 0.408 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)[C@H]2CCOC2)C1 ZINC000942817465 610639552 /nfs/dbraw/zinc/63/95/52/610639552.db2.gz FWWKLAQLPWXISQ-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)[C@H]2CCOC2)C1 ZINC000942817465 610639553 /nfs/dbraw/zinc/63/95/53/610639553.db2.gz FWWKLAQLPWXISQ-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000942102363 610651606 /nfs/dbraw/zinc/65/16/06/610651606.db2.gz XTNYHCINOIILNJ-UONOGXRCSA-N 1 1 329.466 0.425 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1)CC2 ZINC000942103168 610651994 /nfs/dbraw/zinc/65/19/94/610651994.db2.gz LXTBXKSVVZLFBE-DZGCQCFKSA-N 1 1 343.431 0.975 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000941351356 610687076 /nfs/dbraw/zinc/68/70/76/610687076.db2.gz PKLVCPPKZHJHOO-ZIAGYGMSSA-N 1 1 329.404 0.981 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2-n2cnnn2)[C@H](C)C1 ZINC000942207099 610696629 /nfs/dbraw/zinc/69/66/29/610696629.db2.gz JJPGTDYDSYNFKI-VXGBXAGGSA-N 1 1 330.417 0.797 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@@H](C)C1 ZINC000942220975 610701618 /nfs/dbraw/zinc/70/16/18/610701618.db2.gz ZPMPHQSIQJSFKP-GOEBONIOSA-N 1 1 331.416 0.568 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@H](C)C1 ZINC000942220974 610701652 /nfs/dbraw/zinc/70/16/52/610701652.db2.gz ZPMPHQSIQJSFKP-GDBMZVCRSA-N 1 1 331.416 0.568 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000943198376 610743846 /nfs/dbraw/zinc/74/38/46/610743846.db2.gz IGOOAPUXESRSPL-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1[nH]cnc1C ZINC000944127032 610744976 /nfs/dbraw/zinc/74/49/76/610744976.db2.gz ZUUHSUMLWHWABD-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1[nH]cnc1C ZINC000944127032 610744978 /nfs/dbraw/zinc/74/49/78/610744978.db2.gz ZUUHSUMLWHWABD-CABCVRRESA-N 1 1 343.431 0.537 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000943264930 610768092 /nfs/dbraw/zinc/76/80/92/610768092.db2.gz NYJJDBHKFBUOMV-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C[C@@H]2C)nc1 ZINC000944191216 610775669 /nfs/dbraw/zinc/77/56/69/610775669.db2.gz ABYLZBMDJPKSII-XJKSGUPXSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C[C@@H]2C)nc1 ZINC000944191216 610775673 /nfs/dbraw/zinc/77/56/73/610775673.db2.gz ABYLZBMDJPKSII-XJKSGUPXSA-N 1 1 338.415 0.832 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1C ZINC000944215795 610787668 /nfs/dbraw/zinc/78/76/68/610787668.db2.gz UWNUMTARNOXFHF-TZMCWYRMSA-N 1 1 330.388 0.019 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1C ZINC000944215795 610787670 /nfs/dbraw/zinc/78/76/70/610787670.db2.gz UWNUMTARNOXFHF-TZMCWYRMSA-N 1 1 330.388 0.019 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@H]2CCCO2)C1 ZINC000943334566 610807125 /nfs/dbraw/zinc/80/71/25/610807125.db2.gz AWEQFVBOOTZFPD-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@H]2CCCO2)C1 ZINC000943334566 610807126 /nfs/dbraw/zinc/80/71/26/610807126.db2.gz AWEQFVBOOTZFPD-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000943335815 610807565 /nfs/dbraw/zinc/80/75/65/610807565.db2.gz IGVSRDZXNZLTNT-IXDOHACOSA-N 1 1 349.475 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000943335815 610807566 /nfs/dbraw/zinc/80/75/66/610807566.db2.gz IGVSRDZXNZLTNT-IXDOHACOSA-N 1 1 349.475 0.598 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000944910386 610835877 /nfs/dbraw/zinc/83/58/77/610835877.db2.gz XXYMXLALJCWCQO-CABCVRRESA-N 1 1 343.493 0.120 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@@H](C)C1 ZINC000944919039 610839738 /nfs/dbraw/zinc/83/97/38/610839738.db2.gz MGXPSZXNPHIGFV-KBPBESRZSA-N 1 1 326.404 0.517 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)C2CCCC2)C1 ZINC000944439153 610865397 /nfs/dbraw/zinc/86/53/97/610865397.db2.gz ZNBSQACSZFKEDM-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)C2CCCC2)C1 ZINC000944439153 610865400 /nfs/dbraw/zinc/86/54/00/610865400.db2.gz ZNBSQACSZFKEDM-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC000944984092 610869036 /nfs/dbraw/zinc/86/90/36/610869036.db2.gz ZBSPWXIIUAFTKX-LSDHHAIUSA-N 1 1 332.448 0.939 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC000944645777 611055040 /nfs/dbraw/zinc/05/50/40/611055040.db2.gz YSFPKRMJKZMUIY-HOTGVXAUSA-N 1 1 344.415 0.070 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC000944645777 611055043 /nfs/dbraw/zinc/05/50/43/611055043.db2.gz YSFPKRMJKZMUIY-HOTGVXAUSA-N 1 1 344.415 0.070 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC000946851033 611196526 /nfs/dbraw/zinc/19/65/26/611196526.db2.gz BBGNRIGYYDGJDE-GASCZTMLSA-N 1 1 346.431 0.122 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]3CC2)cn1 ZINC000946863789 611206161 /nfs/dbraw/zinc/20/61/61/611206161.db2.gz CTMVAKZUAUHGRN-BMFZPTHFSA-N 1 1 340.427 0.721 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)nc1 ZINC000946863982 611206191 /nfs/dbraw/zinc/20/61/91/611206191.db2.gz NPZKINYBYGDVGY-GASCZTMLSA-N 1 1 326.400 0.332 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC[C@@H]2C1 ZINC000946880814 611219683 /nfs/dbraw/zinc/21/96/83/611219683.db2.gz JGEKCPYYYIJIJQ-OKILXGFUSA-N 1 1 346.431 0.120 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)CC[C@@H]2C1 ZINC000946885042 611225132 /nfs/dbraw/zinc/22/51/32/611225132.db2.gz XRGPOGCKXYJHAM-OKILXGFUSA-N 1 1 343.431 0.936 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC[N@H+]1C ZINC000946092016 611227476 /nfs/dbraw/zinc/22/74/76/611227476.db2.gz DNCDXAHAJUGRMU-IUODEOHRSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C(C)=O)CC[C@@H]2C1 ZINC000946895899 611238466 /nfs/dbraw/zinc/23/84/66/611238466.db2.gz CFZCYZGWQNJZLR-BBWFWOEESA-N 1 1 333.432 0.037 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000923445332 611244158 /nfs/dbraw/zinc/24/41/58/611244158.db2.gz VOORCKPJOQYNMF-TZMCWYRMSA-N 1 1 327.450 0.301 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3nnnc3C)cc2F)C1 ZINC000923558194 611262744 /nfs/dbraw/zinc/26/27/44/611262744.db2.gz XPDBQJUZQUNLTD-CYBMUJFWSA-N 1 1 342.378 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3nnnc3C)cc2F)C1 ZINC000923558194 611262745 /nfs/dbraw/zinc/26/27/45/611262745.db2.gz XPDBQJUZQUNLTD-CYBMUJFWSA-N 1 1 342.378 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CS3)C1 ZINC000923565359 611264124 /nfs/dbraw/zinc/26/41/24/611264124.db2.gz ACYBFBHMMOGODO-GFCCVEGCSA-N 1 1 330.413 0.953 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CS3)C1 ZINC000923565359 611264125 /nfs/dbraw/zinc/26/41/25/611264125.db2.gz ACYBFBHMMOGODO-GFCCVEGCSA-N 1 1 330.413 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2Oc3ccccc3NC2=O)C1 ZINC000923591752 611271344 /nfs/dbraw/zinc/27/13/44/611271344.db2.gz JEVZRWPFNCACSL-XJKSGUPXSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2Oc3ccccc3NC2=O)C1 ZINC000923591752 611271345 /nfs/dbraw/zinc/27/13/45/611271345.db2.gz JEVZRWPFNCACSL-XJKSGUPXSA-N 1 1 327.384 0.990 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000923593839 611274846 /nfs/dbraw/zinc/27/48/46/611274846.db2.gz XJXMXAQBLSSISF-YHUYYLMFSA-N 1 1 345.443 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000923593839 611274847 /nfs/dbraw/zinc/27/48/47/611274847.db2.gz XJXMXAQBLSSISF-YHUYYLMFSA-N 1 1 345.443 0.764 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000946496315 611285087 /nfs/dbraw/zinc/28/50/87/611285087.db2.gz PMXJSAVHSUASQL-UHFFFAOYSA-N 1 1 340.387 0.812 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2CC1 ZINC000946521319 611298981 /nfs/dbraw/zinc/29/89/81/611298981.db2.gz NXDQQTMPHAUUMP-IGQOVBAYSA-N 1 1 332.404 0.122 20 30 ECEDMO COc1ncncc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000842522009 611314756 /nfs/dbraw/zinc/31/47/56/611314756.db2.gz KVWXISHNPWFPGN-UHFFFAOYSA-N 1 1 338.437 0.006 20 30 ECEDMO C#CCOCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000921934197 611327349 /nfs/dbraw/zinc/32/73/49/611327349.db2.gz SNXFTOZMWDJDQV-KONPQCLYSA-N 1 1 337.464 0.805 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000930173309 611335718 /nfs/dbraw/zinc/33/57/18/611335718.db2.gz IFVPTZXGWQAJOV-OAHLLOKOSA-N 1 1 335.429 0.749 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000947876596 611728941 /nfs/dbraw/zinc/72/89/41/611728941.db2.gz HFXUIEDCSQYCPV-VVLHAWIVSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000947876596 611728943 /nfs/dbraw/zinc/72/89/43/611728943.db2.gz HFXUIEDCSQYCPV-VVLHAWIVSA-N 1 1 345.443 0.084 20 30 ECEDMO C[C@@]1(C#N)CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000933598778 611735248 /nfs/dbraw/zinc/73/52/48/611735248.db2.gz YKRIZEZGBVHEOI-LJQANCHMSA-N 1 1 342.443 0.945 20 30 ECEDMO COCCOCCOCC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000929268481 611741152 /nfs/dbraw/zinc/74/11/52/611741152.db2.gz GHZGFSUGCSSPNG-UHFFFAOYSA-N 1 1 334.420 0.755 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933699189 611742325 /nfs/dbraw/zinc/74/23/25/611742325.db2.gz KHUPOQULJHNPBE-RDBSUJKOSA-N 1 1 329.466 0.432 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H](C)C2)nc1 ZINC000947936478 611747569 /nfs/dbraw/zinc/74/75/69/611747569.db2.gz VZENWEFYIPPGOI-ZBFHGGJFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@@H]1C ZINC000947944132 611750532 /nfs/dbraw/zinc/75/05/32/611750532.db2.gz RHIVORDMDMTXNA-WCQYABFASA-N 1 1 325.368 0.786 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](C[C@@H](O)C3(O)CCOCC3)CC2)c(F)c1 ZINC000929460543 611756441 /nfs/dbraw/zinc/75/64/41/611756441.db2.gz CKZPFQNVEMXKJJ-QGZVFWFLSA-N 1 1 349.406 0.722 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000929668380 611779753 /nfs/dbraw/zinc/77/97/53/611779753.db2.gz HPJSJOXDJNXOND-QGZVFWFLSA-N 1 1 329.400 0.833 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000929668380 611779756 /nfs/dbraw/zinc/77/97/56/611779756.db2.gz HPJSJOXDJNXOND-QGZVFWFLSA-N 1 1 329.400 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(C)n(C)n1 ZINC000948981367 611784095 /nfs/dbraw/zinc/78/40/95/611784095.db2.gz RULAABQJAPCAON-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(C)n(C)n1 ZINC000948981367 611784097 /nfs/dbraw/zinc/78/40/97/611784097.db2.gz RULAABQJAPCAON-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)CCC1(O)CCC1 ZINC000929826128 611798209 /nfs/dbraw/zinc/79/82/09/611798209.db2.gz UDGPFIXFJKMWQG-GJZGRUSLSA-N 1 1 345.447 0.915 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)CCC1(O)CCC1 ZINC000929826128 611798212 /nfs/dbraw/zinc/79/82/12/611798212.db2.gz UDGPFIXFJKMWQG-GJZGRUSLSA-N 1 1 345.447 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ocnc2C)C1 ZINC000950648650 611816796 /nfs/dbraw/zinc/81/67/96/611816796.db2.gz WLHQWNBIHMSMKI-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ocnc2C)C1 ZINC000950648650 611816798 /nfs/dbraw/zinc/81/67/98/611816798.db2.gz WLHQWNBIHMSMKI-YUELXQCFSA-N 1 1 344.415 0.657 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)nc1 ZINC000949142534 611872949 /nfs/dbraw/zinc/87/29/49/611872949.db2.gz BJLDGQDVQBPMNT-GOEBONIOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1cc(C)cn1 ZINC000950754115 611889331 /nfs/dbraw/zinc/88/93/31/611889331.db2.gz QETHBZQFWCGLOT-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1cc(C)cn1 ZINC000950754115 611889333 /nfs/dbraw/zinc/88/93/33/611889333.db2.gz QETHBZQFWCGLOT-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc[nH]c(=O)c1 ZINC000950755161 611890824 /nfs/dbraw/zinc/89/08/24/611890824.db2.gz FIVIGMAXPVVLGK-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc[nH]c(=O)c1 ZINC000950755161 611890826 /nfs/dbraw/zinc/89/08/26/611890826.db2.gz FIVIGMAXPVVLGK-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccn(C)c1C ZINC000950755703 611891363 /nfs/dbraw/zinc/89/13/63/611891363.db2.gz RWKIGJJVNUIHFP-RDJZCZTQSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccn(C)c1C ZINC000950755703 611891364 /nfs/dbraw/zinc/89/13/64/611891364.db2.gz RWKIGJJVNUIHFP-RDJZCZTQSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ncccc1F ZINC000950755601 611891387 /nfs/dbraw/zinc/89/13/87/611891387.db2.gz POEXXOAZZWVEQQ-HIFRSBDPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ncccc1F ZINC000950755601 611891388 /nfs/dbraw/zinc/89/13/88/611891388.db2.gz POEXXOAZZWVEQQ-HIFRSBDPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1ccc[nH]1 ZINC000950755700 611891430 /nfs/dbraw/zinc/89/14/30/611891430.db2.gz RUQHVJBZLMGPMA-HOTGVXAUSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1ccc[nH]1 ZINC000950755700 611891431 /nfs/dbraw/zinc/89/14/31/611891431.db2.gz RUQHVJBZLMGPMA-HOTGVXAUSA-N 1 1 328.416 0.372 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949293721 611930007 /nfs/dbraw/zinc/93/00/07/611930007.db2.gz UWQCSQOZGBMVSY-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC000949305372 611933439 /nfs/dbraw/zinc/93/34/39/611933439.db2.gz PPTGYOTVKAVYLZ-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC000949305372 611933440 /nfs/dbraw/zinc/93/34/40/611933440.db2.gz PPTGYOTVKAVYLZ-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)c3nccnc3N)CC2)C1 ZINC000949322951 611938981 /nfs/dbraw/zinc/93/89/81/611938981.db2.gz NGLMLBKAQNCLFY-UHFFFAOYSA-N 1 1 331.420 0.942 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)CN3CN=NC3=O)CC2)C1 ZINC000949343565 611945648 /nfs/dbraw/zinc/94/56/48/611945648.db2.gz ICHQULJZAUISDR-UHFFFAOYSA-N 1 1 349.435 0.643 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC000949379157 611957409 /nfs/dbraw/zinc/95/74/09/611957409.db2.gz QDONTJFBZXSNFK-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC000949379157 611957412 /nfs/dbraw/zinc/95/74/12/611957412.db2.gz QDONTJFBZXSNFK-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000949394054 611962560 /nfs/dbraw/zinc/96/25/60/611962560.db2.gz LOFFWZJUPQXYDG-HOCLYGCPSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000949394054 611962564 /nfs/dbraw/zinc/96/25/64/611962564.db2.gz LOFFWZJUPQXYDG-HOCLYGCPSA-N 1 1 330.432 0.598 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000950322422 611970599 /nfs/dbraw/zinc/97/05/99/611970599.db2.gz KGDRVRWHHLZMGC-BPLDGKMQSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(C)ncn1 ZINC000949449955 611985341 /nfs/dbraw/zinc/98/53/41/611985341.db2.gz VBZOZJSQDZIAQX-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(C)ncn1 ZINC000949449955 611985342 /nfs/dbraw/zinc/98/53/42/611985342.db2.gz VBZOZJSQDZIAQX-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000949451788 611985808 /nfs/dbraw/zinc/98/58/08/611985808.db2.gz ARLRJQQDGUNANU-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC000949472419 611992208 /nfs/dbraw/zinc/99/22/08/611992208.db2.gz DNESHBXKUAMPCU-UHFFFAOYSA-N 1 1 333.436 0.627 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC000949472419 611992210 /nfs/dbraw/zinc/99/22/10/611992210.db2.gz DNESHBXKUAMPCU-UHFFFAOYSA-N 1 1 333.436 0.627 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000951030096 612012489 /nfs/dbraw/zinc/01/24/89/612012489.db2.gz VDXBKCPVGDFGGL-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000951030096 612012492 /nfs/dbraw/zinc/01/24/92/612012492.db2.gz VDXBKCPVGDFGGL-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)c2ccn[nH]2)CC1 ZINC000950427430 612014650 /nfs/dbraw/zinc/01/46/50/612014650.db2.gz CNVJLCIUXDNJFL-CQSZACIVSA-N 1 1 329.404 0.086 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000950481559 612035181 /nfs/dbraw/zinc/03/51/81/612035181.db2.gz DDJIYGJYGMPYMR-BPLDGKMQSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c(C)ccn1C ZINC000949604114 612040209 /nfs/dbraw/zinc/04/02/09/612040209.db2.gz GTBRCOMWYFSVFR-CVEARBPZSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c(C)ccn1C ZINC000949604114 612040210 /nfs/dbraw/zinc/04/02/10/612040210.db2.gz GTBRCOMWYFSVFR-CVEARBPZSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nccc(C)n1 ZINC000949656388 612053727 /nfs/dbraw/zinc/05/37/27/612053727.db2.gz MVXHICKLZUXSDQ-GJZGRUSLSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nccc(C)n1 ZINC000949656388 612053729 /nfs/dbraw/zinc/05/37/29/612053729.db2.gz MVXHICKLZUXSDQ-GJZGRUSLSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H](C)C(=O)N(C)C)C1 ZINC000950534484 612058295 /nfs/dbraw/zinc/05/82/95/612058295.db2.gz WUSFZZIHCUOZSA-ZBFHGGJFSA-N 1 1 334.464 0.093 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H](C)C(=O)N(C)C)C1 ZINC000950534484 612058297 /nfs/dbraw/zinc/05/82/97/612058297.db2.gz WUSFZZIHCUOZSA-ZBFHGGJFSA-N 1 1 334.464 0.093 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC000952718978 612082871 /nfs/dbraw/zinc/08/28/71/612082871.db2.gz UWWQKYHMBAAYLD-YUELXQCFSA-N 1 1 329.404 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000951223831 612088844 /nfs/dbraw/zinc/08/88/44/612088844.db2.gz QSLIUFXRJJWXSZ-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000951223831 612088847 /nfs/dbraw/zinc/08/88/47/612088847.db2.gz QSLIUFXRJJWXSZ-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1coc(OC)n1 ZINC000951259692 612112768 /nfs/dbraw/zinc/11/27/68/612112768.db2.gz IMRSZIKNIRJNHZ-JSGCOSHPSA-N 1 1 346.387 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1coc(OC)n1 ZINC000951259692 612112770 /nfs/dbraw/zinc/11/27/70/612112770.db2.gz IMRSZIKNIRJNHZ-JSGCOSHPSA-N 1 1 346.387 0.112 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000951439812 612234393 /nfs/dbraw/zinc/23/43/93/612234393.db2.gz QMPLLTHEEPFLKO-IRXDYDNUSA-N 1 1 325.412 0.950 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000951492385 612268313 /nfs/dbraw/zinc/26/83/13/612268313.db2.gz QZDNNMHDPOZBRL-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)c3cc(C)[nH]n3)C2)CC1 ZINC000954500590 612336311 /nfs/dbraw/zinc/33/63/11/612336311.db2.gz VLWRQPKSOJWAGN-UHFFFAOYSA-N 1 1 343.431 0.346 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000953877122 612379775 /nfs/dbraw/zinc/37/97/75/612379775.db2.gz ULYCSJQHABGKPT-ZDUSSCGKSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1C ZINC000952443841 612435107 /nfs/dbraw/zinc/43/51/07/612435107.db2.gz RXBKKFMSAFWKTI-WQVCFCJDSA-N 1 1 346.406 0.828 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1C ZINC000952443841 612435111 /nfs/dbraw/zinc/43/51/11/612435111.db2.gz RXBKKFMSAFWKTI-WQVCFCJDSA-N 1 1 346.406 0.828 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000954630335 612467238 /nfs/dbraw/zinc/46/72/38/612467238.db2.gz CEGADDDUYLOGMU-IRXDYDNUSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000954630335 612467242 /nfs/dbraw/zinc/46/72/42/612467242.db2.gz CEGADDDUYLOGMU-IRXDYDNUSA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C)o2)C1 ZINC000954630306 612467476 /nfs/dbraw/zinc/46/74/76/612467476.db2.gz AMJMGRCOJXOJCF-HNNXBMFYSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(C)o2)C1 ZINC000954630306 612467479 /nfs/dbraw/zinc/46/74/79/612467479.db2.gz AMJMGRCOJXOJCF-HNNXBMFYSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCn2cccc2)C1 ZINC000954631301 612468946 /nfs/dbraw/zinc/46/89/46/612468946.db2.gz VJXCVVYHMNWZKG-KRWDZBQOSA-N 1 1 342.443 0.645 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCn2cccc2)C1 ZINC000954631301 612468951 /nfs/dbraw/zinc/46/89/51/612468951.db2.gz VJXCVVYHMNWZKG-KRWDZBQOSA-N 1 1 342.443 0.645 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c(C)ncn2C)C1 ZINC000954630882 612469454 /nfs/dbraw/zinc/46/94/54/612469454.db2.gz NUAVMSVMLODYJR-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c(C)ncn2C)C1 ZINC000954630882 612469456 /nfs/dbraw/zinc/46/94/56/612469456.db2.gz NUAVMSVMLODYJR-HNNXBMFYSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cncc(C)c2)C1 ZINC000954631168 612469479 /nfs/dbraw/zinc/46/94/79/612469479.db2.gz QYWQZMXKXMAOOA-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cncc(C)c2)C1 ZINC000954631168 612469481 /nfs/dbraw/zinc/46/94/81/612469481.db2.gz QYWQZMXKXMAOOA-KRWDZBQOSA-N 1 1 340.427 0.770 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC000954631319 612469713 /nfs/dbraw/zinc/46/97/13/612469713.db2.gz WGAHUEQEADXFBM-QFBILLFUSA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC000954631319 612469714 /nfs/dbraw/zinc/46/97/14/612469714.db2.gz WGAHUEQEADXFBM-QFBILLFUSA-N 1 1 347.459 0.304 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000955345120 612473702 /nfs/dbraw/zinc/47/37/02/612473702.db2.gz RRNUGQHIWMCGCT-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000952537852 612491925 /nfs/dbraw/zinc/49/19/25/612491925.db2.gz ZYRRBCIVEZLQDC-IXDOHACOSA-N 1 1 345.443 0.322 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000952537852 612491928 /nfs/dbraw/zinc/49/19/28/612491928.db2.gz ZYRRBCIVEZLQDC-IXDOHACOSA-N 1 1 345.443 0.322 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000953958941 612497332 /nfs/dbraw/zinc/49/73/32/612497332.db2.gz PWBVWFINAHWROM-ZDUSSCGKSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)C(F)F)CC1 ZINC000953674473 612514355 /nfs/dbraw/zinc/51/43/55/612514355.db2.gz SRJKHDBGMBAHDD-ZDUSSCGKSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)C(F)F)CC1 ZINC000953674473 612514359 /nfs/dbraw/zinc/51/43/59/612514359.db2.gz SRJKHDBGMBAHDD-ZDUSSCGKSA-N 1 1 327.375 0.799 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956802896 612566811 /nfs/dbraw/zinc/56/68/11/612566811.db2.gz VCPNFBUECKCWCK-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000956842664 612617324 /nfs/dbraw/zinc/61/73/24/612617324.db2.gz JZKYFNFQDCLZLB-SCLBCKFNSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)C2=CCOCC2)C1 ZINC000956851852 612635724 /nfs/dbraw/zinc/63/57/24/612635724.db2.gz OJDJWMYTIUZKEK-QFBILLFUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)C2=CCOCC2)C1 ZINC000956851852 612635730 /nfs/dbraw/zinc/63/57/30/612635730.db2.gz OJDJWMYTIUZKEK-QFBILLFUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cc[nH]c1 ZINC000956051022 612649428 /nfs/dbraw/zinc/64/94/28/612649428.db2.gz VAWADDQYKUCFJZ-HOTGVXAUSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1cc[nH]c1 ZINC000956051022 612649430 /nfs/dbraw/zinc/64/94/30/612649430.db2.gz VAWADDQYKUCFJZ-HOTGVXAUSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cocn1 ZINC000956072721 612676542 /nfs/dbraw/zinc/67/65/42/612676542.db2.gz IBFYZFQCUUKORC-ZFWWWQNUSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cocn1 ZINC000956072721 612676543 /nfs/dbraw/zinc/67/65/43/612676543.db2.gz IBFYZFQCUUKORC-ZFWWWQNUSA-N 1 1 330.388 0.493 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000954798320 612692685 /nfs/dbraw/zinc/69/26/85/612692685.db2.gz JKAJHAJIIVYHSM-CABCVRRESA-N 1 1 332.404 0.452 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2coc(C)n2)C1 ZINC000954137065 612704932 /nfs/dbraw/zinc/70/49/32/612704932.db2.gz XJHWBEAUGDNCFY-HNNXBMFYSA-N 1 1 330.388 0.363 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2coc(C)n2)C1 ZINC000954137065 612704936 /nfs/dbraw/zinc/70/49/36/612704936.db2.gz XJHWBEAUGDNCFY-HNNXBMFYSA-N 1 1 330.388 0.363 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000954840115 612735145 /nfs/dbraw/zinc/73/51/45/612735145.db2.gz KXVAXAWMHNCQRY-HNNXBMFYSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC000954327161 612858554 /nfs/dbraw/zinc/85/85/54/612858554.db2.gz YKXGAODQQWBJMY-UHFFFAOYSA-N 1 1 337.383 0.551 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N(C)C2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000955078420 612885901 /nfs/dbraw/zinc/88/59/01/612885901.db2.gz POLJRHIVDCJWKT-STQMWFEESA-N 1 1 343.431 0.899 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2cnon2)CC1 ZINC000956465610 612894337 /nfs/dbraw/zinc/89/43/37/612894337.db2.gz JFEAIPGUHYGRTI-AWEZNQCLSA-N 1 1 345.403 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2cnon2)CC1 ZINC000956465610 612894338 /nfs/dbraw/zinc/89/43/38/612894338.db2.gz JFEAIPGUHYGRTI-AWEZNQCLSA-N 1 1 345.403 0.278 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000954405265 612894477 /nfs/dbraw/zinc/89/44/77/612894477.db2.gz ZGBQFYJGGWPGHB-UAGQMJEPSA-N 1 1 349.475 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CO[C@H](CNC(C)=O)C2)CC1 ZINC000956514219 612908228 /nfs/dbraw/zinc/90/82/28/612908228.db2.gz XRAVRKCEIHHSAK-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CO[C@H](CNC(C)=O)C2)CC1 ZINC000956514219 612908231 /nfs/dbraw/zinc/90/82/31/612908231.db2.gz XRAVRKCEIHHSAK-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccon2)C1 ZINC000956735269 612940192 /nfs/dbraw/zinc/94/01/92/612940192.db2.gz DBMKYNSTJLBNHM-WMLDXEAASA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccon2)C1 ZINC000956735269 612940193 /nfs/dbraw/zinc/94/01/93/612940193.db2.gz DBMKYNSTJLBNHM-WMLDXEAASA-N 1 1 330.388 0.493 20 30 ECEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cncc(CC#N)n1)CC2 ZINC001164687388 719734357 /nfs/dbraw/zinc/73/43/57/719734357.db2.gz WTRDQUZTHYWUMV-UHFFFAOYSA-N 1 1 328.420 0.723 20 30 ECEDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C#N)c(OC)n3)CC[C@@H]2C1 ZINC001164849766 720843563 /nfs/dbraw/zinc/84/35/63/720843563.db2.gz CUZQMGGLZKDSSK-UKRRQHHQSA-N 1 1 347.419 0.530 20 30 ECEDMO C=CC[NH+]1CCN(c2ccc(C(=O)NC3CCOCC3)nn2)CC1 ZINC001165034755 721871961 /nfs/dbraw/zinc/87/19/61/721871961.db2.gz PGSFOBUYJRVPCA-UHFFFAOYSA-N 1 1 331.420 0.693 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cncn3C)C2)C1=O ZINC000971874919 735296263 /nfs/dbraw/zinc/29/62/63/735296263.db2.gz JEGRTAIXJZUGKT-ZIAGYGMSSA-N 1 1 331.420 0.353 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1C(C)=O ZINC001039471636 735333977 /nfs/dbraw/zinc/33/39/77/735333977.db2.gz GSUARPQWTKPVQU-IXDOHACOSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2nc(C)c[nH]2)CC1 ZINC000947229275 735340844 /nfs/dbraw/zinc/34/08/44/735340844.db2.gz AEDRYBJEAQVZAS-HNNXBMFYSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2nc(C)c[nH]2)CC1 ZINC000947229275 735340847 /nfs/dbraw/zinc/34/08/47/735340847.db2.gz AEDRYBJEAQVZAS-HNNXBMFYSA-N 1 1 343.431 0.537 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cc(C)n[nH]1 ZINC001125561945 735383958 /nfs/dbraw/zinc/38/39/58/735383958.db2.gz XELAVFCKJAMOLE-CQSZACIVSA-N 1 1 335.452 0.780 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cncc3C)C2)C1=O ZINC000971950283 735429758 /nfs/dbraw/zinc/42/97/58/735429758.db2.gz SMQNYRNEQVVOJN-HOTGVXAUSA-N 1 1 345.447 0.511 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001078048162 782210916 /nfs/dbraw/zinc/21/09/16/782210916.db2.gz BCCWUHPBGOMZAI-IAGOWNOFSA-N 1 1 331.416 0.925 20 30 ECEDMO N#CCN1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083234971 735468281 /nfs/dbraw/zinc/46/82/81/735468281.db2.gz GMPOULGILMNPLC-JKSUJKDBSA-N 1 1 338.371 0.316 20 30 ECEDMO C#CCN1C[C@H]2OCCN(C(=O)c3cc(-c4ccoc4)[nH]n3)[C@H]2C1 ZINC001083274978 738412552 /nfs/dbraw/zinc/41/25/52/738412552.db2.gz JPSKZDPDXOAAKM-JKSUJKDBSA-N 1 1 326.356 0.828 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001069972910 790264105 /nfs/dbraw/zinc/26/41/05/790264105.db2.gz CUSSJTDJNOSXTC-OAGGEKHMSA-N 1 1 346.435 0.064 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001069972910 790264107 /nfs/dbraw/zinc/26/41/07/790264107.db2.gz CUSSJTDJNOSXTC-OAGGEKHMSA-N 1 1 346.435 0.064 20 30 ECEDMO N#CCN1CCC2(CC1)CN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)CCO2 ZINC000949235872 731483932 /nfs/dbraw/zinc/48/39/32/731483932.db2.gz BUCGAZFJKZBFPC-KRWDZBQOSA-N 1 1 332.448 0.689 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2snnc2CC)[C@@H](n2ccnn2)C1 ZINC001069973032 790264803 /nfs/dbraw/zinc/26/48/03/790264803.db2.gz INYLMCBVRJDZLJ-OLZOCXBDSA-N 1 1 347.448 0.923 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2snnc2CC)[C@@H](n2ccnn2)C1 ZINC001069973032 790264809 /nfs/dbraw/zinc/26/48/09/790264809.db2.gz INYLMCBVRJDZLJ-OLZOCXBDSA-N 1 1 347.448 0.923 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000969151188 731526966 /nfs/dbraw/zinc/52/69/66/731526966.db2.gz RRWDJNHZLBXTTQ-UONOGXRCSA-N 1 1 327.450 0.062 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nc1 ZINC001125279730 731566030 /nfs/dbraw/zinc/56/60/30/731566030.db2.gz NQPHWVVVXWLGNX-PBHICJAKSA-N 1 1 345.447 0.693 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ncccc2C#N)C1 ZINC001125280005 731572630 /nfs/dbraw/zinc/57/26/30/731572630.db2.gz OMHUJDQFKZJWSH-GDBMZVCRSA-N 1 1 345.447 0.551 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC001112474224 731676322 /nfs/dbraw/zinc/67/63/22/731676322.db2.gz PNYDCNPTSKCRFM-UKRRQHHQSA-N 1 1 343.431 0.706 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+](C)C)on1 ZINC000969329141 731727907 /nfs/dbraw/zinc/72/79/07/731727907.db2.gz TZVMLQVVUBPVOU-RWMBFGLXSA-N 1 1 345.403 0.711 20 30 ECEDMO CC1(C)C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973007495 738535064 /nfs/dbraw/zinc/53/50/64/738535064.db2.gz YEZFLBOKIBKRKF-CHWSQXEVSA-N 1 1 343.387 0.132 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973007495 738535065 /nfs/dbraw/zinc/53/50/65/738535065.db2.gz YEZFLBOKIBKRKF-CHWSQXEVSA-N 1 1 343.387 0.132 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cscn3)C2)C1=O ZINC000969398776 731796975 /nfs/dbraw/zinc/79/69/75/731796975.db2.gz LACNSWUJQVDMJM-SMDDNHRTSA-N 1 1 334.445 0.980 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973011241 738540414 /nfs/dbraw/zinc/54/04/14/738540414.db2.gz QGFPVQOPZDKYIM-CQSZACIVSA-N 1 1 329.404 0.559 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973011241 738540417 /nfs/dbraw/zinc/54/04/17/738540417.db2.gz QGFPVQOPZDKYIM-CQSZACIVSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001069981759 790275259 /nfs/dbraw/zinc/27/52/59/790275259.db2.gz WSQHNBURYNRPDP-ZOFXXKQRSA-N 1 1 343.431 0.458 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001069981759 790275263 /nfs/dbraw/zinc/27/52/63/790275263.db2.gz WSQHNBURYNRPDP-ZOFXXKQRSA-N 1 1 343.431 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ccn(C)c3)C2)C1=O ZINC000969495154 731927148 /nfs/dbraw/zinc/92/71/48/731927148.db2.gz WIGLFNYJFTUSBG-CZUORRHYSA-N 1 1 330.432 0.862 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969527142 731945139 /nfs/dbraw/zinc/94/51/39/731945139.db2.gz UWOVVNWHVNXVIP-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC000973037533 738570729 /nfs/dbraw/zinc/57/07/29/738570729.db2.gz UHSZEDKYIMQXTO-FPCVCCKLSA-N 1 1 343.431 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC000973037533 738570735 /nfs/dbraw/zinc/57/07/35/738570735.db2.gz UHSZEDKYIMQXTO-FPCVCCKLSA-N 1 1 343.431 0.305 20 30 ECEDMO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973047246 738583434 /nfs/dbraw/zinc/58/34/34/738583434.db2.gz IVBZWWVDUJDXDD-ZIAGYGMSSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973047246 738583438 /nfs/dbraw/zinc/58/34/38/738583438.db2.gz IVBZWWVDUJDXDD-ZIAGYGMSSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nncs2)C1 ZINC000969864337 732461126 /nfs/dbraw/zinc/46/11/26/732461126.db2.gz ARJJKTJBNKLKGB-JSGCOSHPSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nncs2)C1 ZINC000969864337 732461130 /nfs/dbraw/zinc/46/11/30/732461130.db2.gz ARJJKTJBNKLKGB-JSGCOSHPSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cnc(C)cn2)C1 ZINC000969866561 732465033 /nfs/dbraw/zinc/46/50/33/732465033.db2.gz YFLMRWNEBHWCJM-QAPCUYQASA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cnc(C)cn2)C1 ZINC000969866561 732465037 /nfs/dbraw/zinc/46/50/37/732465037.db2.gz YFLMRWNEBHWCJM-QAPCUYQASA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ccn(CC)n2)C1 ZINC000969866553 732465141 /nfs/dbraw/zinc/46/51/41/732465141.db2.gz YDRCUYGSFKEKDP-QAPCUYQASA-N 1 1 343.475 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ccn(CC)n2)C1 ZINC000969866553 732465145 /nfs/dbraw/zinc/46/51/45/732465145.db2.gz YDRCUYGSFKEKDP-QAPCUYQASA-N 1 1 343.475 0.937 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)n3CC)C2)c1 ZINC000969887593 732483653 /nfs/dbraw/zinc/48/36/53/732483653.db2.gz CTMSALHACPKNAE-MRXNPFEDSA-N 1 1 338.415 0.987 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC000969925712 732523491 /nfs/dbraw/zinc/52/34/91/732523491.db2.gz DGTJUFNAUPUUMH-SMDDNHRTSA-N 1 1 345.403 0.019 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)CCOCCCOC)CC1 ZINC001098526759 732578487 /nfs/dbraw/zinc/57/84/87/732578487.db2.gz OIRXVZQKADWIDY-UHFFFAOYSA-N 1 1 340.464 0.738 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001041819206 782266900 /nfs/dbraw/zinc/26/69/00/782266900.db2.gz BZKBAEJBKYIZGQ-QGZVFWFLSA-N 1 1 334.420 0.429 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1=O ZINC000970060602 732697035 /nfs/dbraw/zinc/69/70/35/732697035.db2.gz WOXWWSDAFGKCJY-ZIAGYGMSSA-N 1 1 343.431 0.878 20 30 ECEDMO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078089641 782285826 /nfs/dbraw/zinc/28/58/26/782285826.db2.gz NKPRXPWVMQXIQZ-HZPDHXFCSA-N 1 1 339.399 0.819 20 30 ECEDMO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078089641 782285834 /nfs/dbraw/zinc/28/58/34/782285834.db2.gz NKPRXPWVMQXIQZ-HZPDHXFCSA-N 1 1 339.399 0.819 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001078098886 782299735 /nfs/dbraw/zinc/29/97/35/782299735.db2.gz JPWHQSXTXMWFPK-GHMZBOCLSA-N 1 1 332.326 0.790 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)CN3CCOCC3)C2)C1 ZINC001041834462 782305663 /nfs/dbraw/zinc/30/56/63/782305663.db2.gz DCSRRWFFCNIKHL-MJGOQNOKSA-N 1 1 333.476 0.902 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)CN3CCOCC3)C2)C1 ZINC001041834462 782305666 /nfs/dbraw/zinc/30/56/66/782305666.db2.gz DCSRRWFFCNIKHL-MJGOQNOKSA-N 1 1 333.476 0.902 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccncc1C#N)C(=O)C[N@@H+](C)C1CCC1 ZINC001125322170 733001691 /nfs/dbraw/zinc/00/16/91/733001691.db2.gz UQEVCKXSGGMYNZ-MRXNPFEDSA-N 1 1 345.447 0.693 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2conc2COC)CC1 ZINC001098531123 733029673 /nfs/dbraw/zinc/02/96/73/733029673.db2.gz XCHCRZUHYLNNTN-UHFFFAOYSA-N 1 1 335.404 0.743 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC001041839827 782318287 /nfs/dbraw/zinc/31/82/87/782318287.db2.gz RXSDIWGIQQQHDN-AEFFLSMTSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC001041844084 782326954 /nfs/dbraw/zinc/32/69/54/782326954.db2.gz ZXNOZFXQYSNSIY-YJBOKZPZSA-N 1 1 327.432 0.788 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000970271870 733287402 /nfs/dbraw/zinc/28/74/02/733287402.db2.gz XZUNKMKESDXXBD-IINYFYTJSA-N 1 1 347.444 0.580 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC001041855834 782345875 /nfs/dbraw/zinc/34/58/75/782345875.db2.gz PZSRAESBKMSVND-SFHVURJKSA-N 1 1 326.400 0.742 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCC3)C2)c1 ZINC000970398458 733464570 /nfs/dbraw/zinc/46/45/70/733464570.db2.gz KICDWWORJPITMQ-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO Cc1cc(NC[C@@H](C)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001104270353 733538630 /nfs/dbraw/zinc/53/86/30/733538630.db2.gz WNCFDNFOQARRPT-SUYBPPKGSA-N 1 1 345.447 0.567 20 30 ECEDMO Cc1cc(NC[C@@H](C)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C#N)cn1 ZINC001104270353 733538635 /nfs/dbraw/zinc/53/86/35/733538635.db2.gz WNCFDNFOQARRPT-SUYBPPKGSA-N 1 1 345.447 0.567 20 30 ECEDMO C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001078134782 782352930 /nfs/dbraw/zinc/35/29/30/782352930.db2.gz ITCYQTJPWKOPQR-OLZOCXBDSA-N 1 1 331.420 0.933 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC000970543751 733660279 /nfs/dbraw/zinc/66/02/79/733660279.db2.gz ACVVBDDZUPGBRF-NEPJUHHUSA-N 1 1 346.435 0.181 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1 ZINC001098538715 733715840 /nfs/dbraw/zinc/71/58/40/733715840.db2.gz YGRBZOQZGCDBPW-KRWDZBQOSA-N 1 1 337.464 0.456 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC000970648537 733780162 /nfs/dbraw/zinc/78/01/62/733780162.db2.gz GZVXXPHFUHAYKO-ZNMIVQPWSA-N 1 1 337.464 0.618 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC2(CCNC(=O)Cc3cnc[nH]3)CC2)C1=O ZINC001167331541 733797652 /nfs/dbraw/zinc/79/76/52/733797652.db2.gz PMJUGAFZYFSRGV-HNNXBMFYSA-N 1 1 345.447 0.615 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H](C)C1C[NH+]([C@H](CC)C(N)=O)C1 ZINC000970753284 733909457 /nfs/dbraw/zinc/90/94/57/733909457.db2.gz HLBRZPZLKDHIQR-IUODEOHRSA-N 1 1 344.415 0.408 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC000970759503 733918971 /nfs/dbraw/zinc/91/89/71/733918971.db2.gz GYAYWFRDDXNIIP-STQMWFEESA-N 1 1 344.415 0.278 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCCNC3=O)C2)nc1 ZINC000970762839 733920092 /nfs/dbraw/zinc/92/00/92/733920092.db2.gz GROOCBIWRKPHPP-BLLLJJGKSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCN(C)C3=O)C2)nc1 ZINC000970761948 733921615 /nfs/dbraw/zinc/92/16/15/733921615.db2.gz AWKZHJJITDFUBO-MLGOLLRUSA-N 1 1 326.400 0.344 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC000970764084 733926527 /nfs/dbraw/zinc/92/65/27/733926527.db2.gz QMPJMNZCFCSRFS-SUMWQHHRSA-N 1 1 340.427 0.734 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1cnc[nH]1 ZINC001167349745 733970104 /nfs/dbraw/zinc/97/01/04/733970104.db2.gz FJJRZSWCFDEKQV-CQSZACIVSA-N 1 1 335.452 0.861 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(OCC)c2)C1 ZINC001078146754 782378117 /nfs/dbraw/zinc/37/81/17/782378117.db2.gz YSZYJLYITRWTRT-HUUCEWRRSA-N 1 1 332.400 0.892 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)c(OCC)c2)C1 ZINC001078146754 782378126 /nfs/dbraw/zinc/37/81/26/782378126.db2.gz YSZYJLYITRWTRT-HUUCEWRRSA-N 1 1 332.400 0.892 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NCCC1(C[NH2+]Cc2cnon2)CC1 ZINC001167391602 734128763 /nfs/dbraw/zinc/12/87/63/734128763.db2.gz MXOPZRGXIDXULY-HNNXBMFYSA-N 1 1 349.435 0.917 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3[nH]cnc3C)C2)C1=O ZINC000970993596 734153141 /nfs/dbraw/zinc/15/31/41/734153141.db2.gz QHEUKKPQTXQQFF-SMDDNHRTSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001078162623 782406890 /nfs/dbraw/zinc/40/68/90/782406890.db2.gz ZUBFNBFFNLXLGF-FVQBIDKESA-N 1 1 335.448 0.515 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2ncccc2C#N)CCO1 ZINC001104323640 734303587 /nfs/dbraw/zinc/30/35/87/734303587.db2.gz VHWMDPJCHMYRIW-HNNXBMFYSA-N 1 1 331.420 0.616 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)COCc2cccnc2)CC1 ZINC001098547851 734307236 /nfs/dbraw/zinc/30/72/36/734307236.db2.gz KWRKBMRRBLQVKU-UHFFFAOYSA-N 1 1 345.443 0.907 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)COCc2cccnc2)CC1 ZINC001098548576 734336198 /nfs/dbraw/zinc/33/61/98/734336198.db2.gz VXCSGBIGEQJHJS-UHFFFAOYSA-N 1 1 345.443 0.907 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CNC(N)=O)C2)c1 ZINC001111585206 734338475 /nfs/dbraw/zinc/33/84/75/734338475.db2.gz KFLLDNRITANNBO-YJBOKZPZSA-N 1 1 341.415 0.697 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3ccon3)C2)C1=O ZINC000971242104 734383653 /nfs/dbraw/zinc/38/36/53/734383653.db2.gz MUNWKCSZIQZKIV-CABCVRRESA-N 1 1 332.404 0.537 20 30 ECEDMO CN1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)C1 ZINC000971270101 734412676 /nfs/dbraw/zinc/41/26/76/734412676.db2.gz DIAGBUSYDQMCGM-QZTJIDSGSA-N 1 1 342.443 0.922 20 30 ECEDMO C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025212815 738813350 /nfs/dbraw/zinc/81/33/50/738813350.db2.gz ZYIVOVJOYGBDCX-LSDHHAIUSA-N 1 1 326.462 0.900 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025212815 738813354 /nfs/dbraw/zinc/81/33/54/738813354.db2.gz ZYIVOVJOYGBDCX-LSDHHAIUSA-N 1 1 326.462 0.900 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 ZINC001104338259 734436767 /nfs/dbraw/zinc/43/67/67/734436767.db2.gz QRQBLLNPSQQLFJ-AWEZNQCLSA-N 1 1 346.435 0.400 20 30 ECEDMO C[N@@H+](C[C@@H]1CCc2ncnn21)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971375461 734487628 /nfs/dbraw/zinc/48/76/28/734487628.db2.gz AETXWMVBCYXDGC-GJZGRUSLSA-N 1 1 339.403 0.812 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000971380744 734491068 /nfs/dbraw/zinc/49/10/68/734491068.db2.gz UWSRYEYCKRMYNG-CJNGLKHVSA-N 1 1 348.472 0.983 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000973141662 738819480 /nfs/dbraw/zinc/81/94/80/738819480.db2.gz MZIVLWRUCRXCSF-HDJSIYSDSA-N 1 1 343.431 0.995 20 30 ECEDMO N#Cc1c(F)cccc1N1CCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001104349440 734519640 /nfs/dbraw/zinc/51/96/40/734519640.db2.gz GIGVPWZVWGWLHP-ZDUSSCGKSA-N 1 1 343.362 0.985 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3ccnn3CC)C2)C1=O ZINC000971402915 734526358 /nfs/dbraw/zinc/52/63/58/734526358.db2.gz CVCLMFKPGWALKO-HUUCEWRRSA-N 1 1 345.447 0.836 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(c2ncccc2C#N)CCO1 ZINC001104350436 734527471 /nfs/dbraw/zinc/52/74/71/734527471.db2.gz WUDWKXIXDWHVTA-ZBFHGGJFSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000973145125 738827008 /nfs/dbraw/zinc/82/70/08/738827008.db2.gz UMTDQWUMKWLCPG-MRVWCRGKSA-N 1 1 329.404 0.605 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H]1CN(c2ncccc2C#N)CCO1)C1CCC1 ZINC001104353025 734596478 /nfs/dbraw/zinc/59/64/78/734596478.db2.gz NMWOEZVYQYEVBB-MRXNPFEDSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078174803 782430088 /nfs/dbraw/zinc/43/00/88/782430088.db2.gz SYOMXENXTHWWPR-USXIJHARSA-N 1 1 346.406 0.310 20 30 ECEDMO C[N@@H+](CC1CCS(=O)(=O)CC1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510005 734699675 /nfs/dbraw/zinc/69/96/75/734699675.db2.gz ZIKHRZQCSUGGIG-MRXNPFEDSA-N 1 1 338.473 0.757 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000971525439 734712544 /nfs/dbraw/zinc/71/25/44/734712544.db2.gz PBYVPQCDNOKHPQ-ZIAGYGMSSA-N 1 1 331.420 0.871 20 30 ECEDMO C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971551829 734740354 /nfs/dbraw/zinc/74/03/54/734740354.db2.gz MHXHEZKWYQYPOU-KURKYZTESA-N 1 1 333.476 0.899 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+]CC1(CCNC(=O)c2ncn[nH]2)CC1 ZINC001167483492 734866658 /nfs/dbraw/zinc/86/66/58/734866658.db2.gz FNKYGQMFBBSSIT-UHFFFAOYSA-N 1 1 347.423 0.057 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+]CC1(CCNC(=O)c2nc[nH]n2)CC1 ZINC001167483492 734866661 /nfs/dbraw/zinc/86/66/61/734866661.db2.gz FNKYGQMFBBSSIT-UHFFFAOYSA-N 1 1 347.423 0.057 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4nncn4c3)[C@H]2C1 ZINC001083222621 734867445 /nfs/dbraw/zinc/86/74/45/734867445.db2.gz CEGRESKUTLMIMM-LSDHHAIUSA-N 1 1 327.388 0.831 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3c[nH]cn3)C2)C1=O ZINC000971651205 734879433 /nfs/dbraw/zinc/87/94/33/734879433.db2.gz HHEHISSTFADXFD-CVEARBPZSA-N 1 1 345.447 0.662 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)CNC(=O)c2ccco2)CC1 ZINC001098555978 735012880 /nfs/dbraw/zinc/01/28/80/735012880.db2.gz YUJIHSLEFHWKSL-UHFFFAOYSA-N 1 1 347.415 0.318 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)CCSC)C1 ZINC001149168239 735158031 /nfs/dbraw/zinc/15/80/31/735158031.db2.gz PNIJLPIPQYSPOP-UONOGXRCSA-N 1 1 341.477 0.085 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CCSC)C1 ZINC001149168239 735158032 /nfs/dbraw/zinc/15/80/32/735158032.db2.gz PNIJLPIPQYSPOP-UONOGXRCSA-N 1 1 341.477 0.085 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025239169 738888934 /nfs/dbraw/zinc/88/89/34/738888934.db2.gz CFPGWVLHNSNAJM-IAGOWNOFSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001098558571 735262840 /nfs/dbraw/zinc/26/28/40/735262840.db2.gz KXQFHGCWAKRELF-UHFFFAOYSA-N 1 1 331.416 0.870 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)CCN2CCCC2=O)CC1 ZINC001098564153 735673143 /nfs/dbraw/zinc/67/31/43/735673143.db2.gz OWTSBSFCTKTGPJ-UHFFFAOYSA-N 1 1 337.464 0.860 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CC[C@@H](C)C3)[C@H]2C1 ZINC001083243925 735713379 /nfs/dbraw/zinc/71/33/79/735713379.db2.gz ANTCXAXSIOZEBG-OWCLPIDISA-N 1 1 335.448 0.733 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000972192098 735772509 /nfs/dbraw/zinc/77/25/09/735772509.db2.gz JTQMLNRUJOIGOL-OAHLLOKOSA-N 1 1 337.383 0.988 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000972192098 735772511 /nfs/dbraw/zinc/77/25/11/735772511.db2.gz JTQMLNRUJOIGOL-OAHLLOKOSA-N 1 1 337.383 0.988 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC000972248141 735840204 /nfs/dbraw/zinc/84/02/04/735840204.db2.gz WSMWQGRUSVUEEQ-GUYCJALGSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C(=O)C(C)C)CC1 ZINC001098566668 735852420 /nfs/dbraw/zinc/85/24/20/735852420.db2.gz HVMVQQNWUBKDHM-QGZVFWFLSA-N 1 1 349.475 0.552 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCOCC3)C2)C1 ZINC000972276486 735876129 /nfs/dbraw/zinc/87/61/29/735876129.db2.gz UOCPFUYZPFUFGA-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCOCC3)C2)C1 ZINC000972276486 735876135 /nfs/dbraw/zinc/87/61/35/735876135.db2.gz UOCPFUYZPFUFGA-OAHLLOKOSA-N 1 1 335.448 0.734 20 30 ECEDMO CCn1cc(CC[N@@H+]2CCO[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)cn1 ZINC000972297647 735907134 /nfs/dbraw/zinc/90/71/34/735907134.db2.gz KPJWWGQIHCMGDP-QAPCUYQASA-N 1 1 345.447 0.908 20 30 ECEDMO CCn1cc(CC[N@H+]2CCO[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)cn1 ZINC000972297647 735907137 /nfs/dbraw/zinc/90/71/37/735907137.db2.gz KPJWWGQIHCMGDP-QAPCUYQASA-N 1 1 345.447 0.908 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@H]2CCOC2)CCO3)c1 ZINC000972318796 735938240 /nfs/dbraw/zinc/93/82/40/735938240.db2.gz GUTDJJLPHYZCII-RDTXWAMCSA-N 1 1 344.415 0.840 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cccn4c(=O)[nH]nc34)[C@H]2C1 ZINC001083246703 735966911 /nfs/dbraw/zinc/96/69/11/735966911.db2.gz FSDJQLVPKADVHF-UONOGXRCSA-N 1 1 343.387 0.536 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341531 735970527 /nfs/dbraw/zinc/97/05/27/735970527.db2.gz HLIGOSWVUJBNHV-ZNMIVQPWSA-N 1 1 344.390 0.851 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341531 735970530 /nfs/dbraw/zinc/97/05/30/735970530.db2.gz HLIGOSWVUJBNHV-ZNMIVQPWSA-N 1 1 344.390 0.851 20 30 ECEDMO CO[C@H](C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972348020 735982715 /nfs/dbraw/zinc/98/27/15/735982715.db2.gz FRNCOHYJJJQBQQ-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO CO[C@H](C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000972348020 735982718 /nfs/dbraw/zinc/98/27/18/735982718.db2.gz FRNCOHYJJJQBQQ-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3N)C2)C1 ZINC000972356042 736001699 /nfs/dbraw/zinc/00/16/99/736001699.db2.gz VACFALSUNLPKCM-QGZVFWFLSA-N 1 1 333.436 0.885 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CN(C(C)=O)C3)C2)C1 ZINC000972356321 736002321 /nfs/dbraw/zinc/00/23/21/736002321.db2.gz ABXHUMBNOGTOIO-SFHVURJKSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCOC)nn3)C2)C1 ZINC000972374293 736033183 /nfs/dbraw/zinc/03/31/83/736033183.db2.gz PQYZXJVHFPLSFC-KRWDZBQOSA-N 1 1 349.435 0.418 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCOC)nn3)C2)C1 ZINC000972374293 736033185 /nfs/dbraw/zinc/03/31/85/736033185.db2.gz PQYZXJVHFPLSFC-KRWDZBQOSA-N 1 1 349.435 0.418 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001078220950 782512358 /nfs/dbraw/zinc/51/23/58/782512358.db2.gz AFTGSMYVWPMJQT-BZUAXINKSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001078221017 782514307 /nfs/dbraw/zinc/51/43/07/782514307.db2.gz DEIFRDOATSIUJL-OWCLPIDISA-N 1 1 335.448 0.208 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nnc(C)n3C2)CC1 ZINC001098571035 736150242 /nfs/dbraw/zinc/15/02/42/736150242.db2.gz LVSPRSVUQAUONW-OAHLLOKOSA-N 1 1 347.463 0.620 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CC(=C)C)CCO2 ZINC000972416872 736155305 /nfs/dbraw/zinc/15/53/05/736155305.db2.gz LHDXXQVJLUXAHT-PKOBYXMFSA-N 1 1 331.460 0.963 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CC(=C)C)CCO2 ZINC000972416872 736155308 /nfs/dbraw/zinc/15/53/08/736155308.db2.gz LHDXXQVJLUXAHT-PKOBYXMFSA-N 1 1 331.460 0.963 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)CC)CC1 ZINC001098571102 736156456 /nfs/dbraw/zinc/15/64/56/736156456.db2.gz NAGHNZGGAZVGIR-UHFFFAOYSA-N 1 1 332.466 0.283 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 ZINC000972422970 736168631 /nfs/dbraw/zinc/16/86/31/736168631.db2.gz ROVDJJJZQRBFGI-QZTJIDSGSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 ZINC000972422970 736168633 /nfs/dbraw/zinc/16/86/33/736168633.db2.gz ROVDJJJZQRBFGI-QZTJIDSGSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972423301 736169649 /nfs/dbraw/zinc/16/96/49/736169649.db2.gz BTZXXLRQPPHYSU-MAUKXSAKSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001078220950 782512351 /nfs/dbraw/zinc/51/23/51/782512351.db2.gz AFTGSMYVWPMJQT-BZUAXINKSA-N 1 1 335.448 0.208 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCF)c3)C2)C1 ZINC000972441936 736205266 /nfs/dbraw/zinc/20/52/66/736205266.db2.gz XBLNHSSCYHFIKR-QGZVFWFLSA-N 1 1 334.395 0.793 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCF)c3)C2)C1 ZINC000972441936 736205269 /nfs/dbraw/zinc/20/52/69/736205269.db2.gz XBLNHSSCYHFIKR-QGZVFWFLSA-N 1 1 334.395 0.793 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 ZINC000972446258 736218031 /nfs/dbraw/zinc/21/80/31/736218031.db2.gz JBSMSVCCMPMNSO-GOSISDBHSA-N 1 1 333.432 0.326 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 ZINC000972446258 736218033 /nfs/dbraw/zinc/21/80/33/736218033.db2.gz JBSMSVCCMPMNSO-GOSISDBHSA-N 1 1 333.432 0.326 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](C)OC)C[C@@H]32)cn1 ZINC001083252771 736239621 /nfs/dbraw/zinc/23/96/21/736239621.db2.gz CZKDJJWRTNPEPQ-RRQGHBQHSA-N 1 1 329.400 0.623 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC000972455996 736245297 /nfs/dbraw/zinc/24/52/97/736245297.db2.gz POAKMVJIHQJEHK-GOSISDBHSA-N 1 1 349.431 0.405 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC000972455996 736245302 /nfs/dbraw/zinc/24/53/02/736245302.db2.gz POAKMVJIHQJEHK-GOSISDBHSA-N 1 1 349.431 0.405 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972457295 736249839 /nfs/dbraw/zinc/24/98/39/736249839.db2.gz APOAUBMJXQZMPO-QGZVFWFLSA-N 1 1 331.372 0.319 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972457295 736249843 /nfs/dbraw/zinc/24/98/43/736249843.db2.gz APOAUBMJXQZMPO-QGZVFWFLSA-N 1 1 331.372 0.319 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC000972459704 736254657 /nfs/dbraw/zinc/25/46/57/736254657.db2.gz ZWRVYGBXWJVGHH-QGZVFWFLSA-N 1 1 342.403 0.846 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC000972459704 736254658 /nfs/dbraw/zinc/25/46/58/736254658.db2.gz ZWRVYGBXWJVGHH-QGZVFWFLSA-N 1 1 342.403 0.846 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 ZINC000972461764 736259370 /nfs/dbraw/zinc/25/93/70/736259370.db2.gz WWSRPCJWOKLFCO-GOSISDBHSA-N 1 1 344.415 0.606 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 ZINC000972461764 736259373 /nfs/dbraw/zinc/25/93/73/736259373.db2.gz WWSRPCJWOKLFCO-GOSISDBHSA-N 1 1 344.415 0.606 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4nccn4c3)C2)C1 ZINC000972465920 736266935 /nfs/dbraw/zinc/26/69/35/736266935.db2.gz MVFWZKCUKNAMHK-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4nccn4c3)C2)C1 ZINC000972465920 736266938 /nfs/dbraw/zinc/26/69/38/736266938.db2.gz MVFWZKCUKNAMHK-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972480955 736308698 /nfs/dbraw/zinc/30/86/98/736308698.db2.gz WQMSWRUTXXVFIM-YJBOKZPZSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@H](O)C(C)C)C1 ZINC001059846709 751370868 /nfs/dbraw/zinc/37/08/68/751370868.db2.gz BYWFRCKWOPWMMH-IXDOHACOSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)[C@H](O)C(C)C)C1 ZINC001059846709 751370876 /nfs/dbraw/zinc/37/08/76/751370876.db2.gz BYWFRCKWOPWMMH-IXDOHACOSA-N 1 1 349.475 0.456 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000972503806 736437849 /nfs/dbraw/zinc/43/78/49/736437849.db2.gz IZPVTQTUQYXYQW-WMLDXEAASA-N 1 1 336.436 0.280 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001098575530 736504869 /nfs/dbraw/zinc/50/48/69/736504869.db2.gz SXHRYFCZMJUIRJ-ZDUSSCGKSA-N 1 1 332.466 0.138 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC000972527392 736583593 /nfs/dbraw/zinc/58/35/93/736583593.db2.gz UASJFPBWXZFMIK-JYJNAYRXSA-N 1 1 333.436 0.792 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001023244196 736615872 /nfs/dbraw/zinc/61/58/72/736615872.db2.gz GCJKHFIYFDIBFS-UKRRQHHQSA-N 1 1 331.420 0.638 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cnsn3)C2)C1=O ZINC001023250380 736616943 /nfs/dbraw/zinc/61/69/43/736616943.db2.gz GKCUOSNXSQJPMQ-JSGCOSHPSA-N 1 1 349.460 0.767 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001023251636 736621244 /nfs/dbraw/zinc/62/12/44/736621244.db2.gz WEHUFNLVKFOARK-DZGCQCFKSA-N 1 1 331.420 0.638 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023297752 736660425 /nfs/dbraw/zinc/66/04/25/736660425.db2.gz NSWKPITZVMSKQK-OLZOCXBDSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(CC)c3CC)C2)C1 ZINC000972548360 736674337 /nfs/dbraw/zinc/67/43/37/736674337.db2.gz HXZDYUIVSBCZOJ-SFHVURJKSA-N 1 1 345.447 0.801 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(CC)c3CC)C2)C1 ZINC000972548360 736674339 /nfs/dbraw/zinc/67/43/39/736674339.db2.gz HXZDYUIVSBCZOJ-SFHVURJKSA-N 1 1 345.447 0.801 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3ncn(C)n3)C2)C1=O ZINC001023354333 736730036 /nfs/dbraw/zinc/73/00/36/736730036.db2.gz GAPSTEKXDYGFIG-UONOGXRCSA-N 1 1 346.435 0.044 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001023375818 736756728 /nfs/dbraw/zinc/75/67/28/736756728.db2.gz SAZVULWKCHHGDN-OAGGEKHMSA-N 1 1 337.464 0.884 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001023424112 736806535 /nfs/dbraw/zinc/80/65/35/736806535.db2.gz OGNWXRBJNWNBNL-WMZOPIPTSA-N 1 1 343.475 0.846 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)C1 ZINC000972564846 736817850 /nfs/dbraw/zinc/81/78/50/736817850.db2.gz MVQNPUYDFSNMRJ-YQVWRLOYSA-N 1 1 342.443 0.850 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)C1 ZINC000972564846 736817852 /nfs/dbraw/zinc/81/78/52/736817852.db2.gz MVQNPUYDFSNMRJ-YQVWRLOYSA-N 1 1 342.443 0.850 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001023463267 736874118 /nfs/dbraw/zinc/87/41/18/736874118.db2.gz MSKSFUYOUZCHFB-INIZCTEOSA-N 1 1 345.443 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001023475092 736888805 /nfs/dbraw/zinc/88/88/05/736888805.db2.gz PHJTWJPMCBYZGF-AWEZNQCLSA-N 1 1 329.400 0.626 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001023507427 736932505 /nfs/dbraw/zinc/93/25/05/736932505.db2.gz QSQBAZPUUPEUSN-AWEZNQCLSA-N 1 1 327.388 0.994 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972584778 736962117 /nfs/dbraw/zinc/96/21/17/736962117.db2.gz BERQQZVIJXCMFA-IBGZPJMESA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972584778 736962121 /nfs/dbraw/zinc/96/21/21/736962121.db2.gz BERQQZVIJXCMFA-IBGZPJMESA-N 1 1 347.459 0.572 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCOC)CCO3)nn1 ZINC000972585863 736974569 /nfs/dbraw/zinc/97/45/69/736974569.db2.gz RNKAZNCERQARIL-INIZCTEOSA-N 1 1 335.408 0.027 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCOC)CCO3)nn1 ZINC000972585863 736974572 /nfs/dbraw/zinc/97/45/72/736974572.db2.gz RNKAZNCERQARIL-INIZCTEOSA-N 1 1 335.408 0.027 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972586643 736975090 /nfs/dbraw/zinc/97/50/90/736975090.db2.gz ZWTDLGAICSEDHI-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972586643 736975094 /nfs/dbraw/zinc/97/50/94/736975094.db2.gz ZWTDLGAICSEDHI-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC001023543803 736987892 /nfs/dbraw/zinc/98/78/92/736987892.db2.gz QXSFRMOFWJJYHI-HNNXBMFYSA-N 1 1 339.403 0.724 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)C1 ZINC000972591172 737008367 /nfs/dbraw/zinc/00/83/67/737008367.db2.gz XSCSIPSSXPCYNT-CRAIPNDOSA-N 1 1 330.432 0.915 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)C1 ZINC000972591172 737008368 /nfs/dbraw/zinc/00/83/68/737008368.db2.gz XSCSIPSSXPCYNT-CRAIPNDOSA-N 1 1 330.432 0.915 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001023583447 737040246 /nfs/dbraw/zinc/04/02/46/737040246.db2.gz HVNGSEFQCISFBY-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)c1 ZINC000981970933 751384857 /nfs/dbraw/zinc/38/48/57/751384857.db2.gz ABHWRYPNDLYMFL-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCC3(CN(C(=O)C(N)=O)C3)C2)c1 ZINC000981970933 751384864 /nfs/dbraw/zinc/38/48/64/751384864.db2.gz ABHWRYPNDLYMFL-UHFFFAOYSA-N 1 1 330.363 0.607 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(CC4CC4)nn3)C2)C1 ZINC000972616611 737104022 /nfs/dbraw/zinc/10/40/22/737104022.db2.gz BQCMJMYCTBVQKK-GOSISDBHSA-N 1 1 343.431 0.628 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(CC4CC4)nn3)C2)C1 ZINC000972616611 737104025 /nfs/dbraw/zinc/10/40/25/737104025.db2.gz BQCMJMYCTBVQKK-GOSISDBHSA-N 1 1 343.431 0.628 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001023644706 737133652 /nfs/dbraw/zinc/13/36/52/737133652.db2.gz QVIRHXZZJWOSTG-CABCVRRESA-N 1 1 343.493 0.815 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001023675644 737184431 /nfs/dbraw/zinc/18/44/31/737184431.db2.gz ZGPJDQVECGMJII-HZPDHXFCSA-N 1 1 345.447 0.780 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001023709825 737227899 /nfs/dbraw/zinc/22/78/99/737227899.db2.gz CJGPSTOYSNGENW-LSDHHAIUSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001023709940 737228287 /nfs/dbraw/zinc/22/82/87/737228287.db2.gz FFTXUMULEZIECU-XJKSGUPXSA-N 1 1 326.400 0.393 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972656424 737264362 /nfs/dbraw/zinc/26/43/62/737264362.db2.gz SWJSRNAZWDFSDA-QGZVFWFLSA-N 1 1 334.420 0.922 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972656424 737264366 /nfs/dbraw/zinc/26/43/66/737264366.db2.gz SWJSRNAZWDFSDA-QGZVFWFLSA-N 1 1 334.420 0.922 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023783750 737371457 /nfs/dbraw/zinc/37/14/57/737371457.db2.gz MZWSEAKCXCYAFS-YNEHKIRRSA-N 1 1 343.855 0.405 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972688333 737382727 /nfs/dbraw/zinc/38/27/27/737382727.db2.gz NYEOHUBCARWADE-QAPCUYQASA-N 1 1 345.447 0.720 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972689379 737388768 /nfs/dbraw/zinc/38/87/68/737388768.db2.gz WIGSISRGEQNAAG-QAPCUYQASA-N 1 1 345.447 0.720 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972689379 737388772 /nfs/dbraw/zinc/38/87/72/737388772.db2.gz WIGSISRGEQNAAG-QAPCUYQASA-N 1 1 345.447 0.720 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@H]([N@H+](C)[C@H]2CCNC2=O)C1 ZINC000972694759 737406168 /nfs/dbraw/zinc/40/61/68/737406168.db2.gz AAUXYKQCRJSDDO-KBPBESRZSA-N 1 1 344.415 0.681 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972699733 737442292 /nfs/dbraw/zinc/44/22/92/737442292.db2.gz LYCURBYAHCSFDT-GOSISDBHSA-N 1 1 342.399 0.121 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972699733 737442293 /nfs/dbraw/zinc/44/22/93/737442293.db2.gz LYCURBYAHCSFDT-GOSISDBHSA-N 1 1 342.399 0.121 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069993630 790288163 /nfs/dbraw/zinc/28/81/63/790288163.db2.gz HCRLBOQANJNWEW-CVEARBPZSA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cccc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069993630 790288167 /nfs/dbraw/zinc/28/81/67/790288167.db2.gz HCRLBOQANJNWEW-CVEARBPZSA-N 1 1 337.387 0.996 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC000972718535 737544701 /nfs/dbraw/zinc/54/47/01/737544701.db2.gz MOHHKDQDXDPTOR-NSHDSACASA-N 1 1 328.800 0.166 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC000972718535 737544703 /nfs/dbraw/zinc/54/47/03/737544703.db2.gz MOHHKDQDXDPTOR-NSHDSACASA-N 1 1 328.800 0.166 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CSC)C[C@H]21 ZINC000972835564 737759322 /nfs/dbraw/zinc/75/93/22/737759322.db2.gz YIBDDZIMWMTVTI-QLFBSQMISA-N 1 1 335.473 0.506 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CSC)C[C@H]21 ZINC000972835564 737759327 /nfs/dbraw/zinc/75/93/27/737759327.db2.gz YIBDDZIMWMTVTI-QLFBSQMISA-N 1 1 335.473 0.506 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001114944190 737795430 /nfs/dbraw/zinc/79/54/30/737795430.db2.gz DOPHDJIXAMAAET-VIKVFOODSA-N 1 1 332.429 0.644 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001024229059 737833967 /nfs/dbraw/zinc/83/39/67/737833967.db2.gz KORNJEGQHZFABM-VNQPRFMTSA-N 1 1 346.431 0.070 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ccn[nH]2)C1=O ZINC001024346871 737912426 /nfs/dbraw/zinc/91/24/26/737912426.db2.gz SZGVJJHAQQHHPU-UKRRQHHQSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ccn[nH]2)C1=O ZINC001024346871 737912429 /nfs/dbraw/zinc/91/24/29/737912429.db2.gz SZGVJJHAQQHHPU-UKRRQHHQSA-N 1 1 331.420 0.781 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCN2CCNC2=O)c[nH]1 ZINC001024400226 737940988 /nfs/dbraw/zinc/94/09/88/737940988.db2.gz SPCLLBXIUSFBDB-HNNXBMFYSA-N 1 1 344.419 0.496 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ncc[nH]2)C1=O ZINC001024432036 737968224 /nfs/dbraw/zinc/96/82/24/737968224.db2.gz RLQJKYOXUPIGEV-KGLIPLIRSA-N 1 1 331.420 0.781 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ncc[nH]2)C1=O ZINC001024432036 737968226 /nfs/dbraw/zinc/96/82/26/737968226.db2.gz RLQJKYOXUPIGEV-KGLIPLIRSA-N 1 1 331.420 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC(=O)NC1CC1 ZINC001024487472 738014783 /nfs/dbraw/zinc/01/47/83/738014783.db2.gz PQUMEHZWMDDSRD-IRXDYDNUSA-N 1 1 346.475 0.333 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC(=O)NC1CC1 ZINC001024487472 738014787 /nfs/dbraw/zinc/01/47/87/738014787.db2.gz PQUMEHZWMDDSRD-IRXDYDNUSA-N 1 1 346.475 0.333 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N(C)C ZINC001024488106 738015484 /nfs/dbraw/zinc/01/54/84/738015484.db2.gz VOGGDRNDEGGDJO-HOTGVXAUSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC001024488106 738015486 /nfs/dbraw/zinc/01/54/86/738015486.db2.gz VOGGDRNDEGGDJO-HOTGVXAUSA-N 1 1 334.464 0.143 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1 ZINC001098586890 738053733 /nfs/dbraw/zinc/05/37/33/738053733.db2.gz PLJFBWFLQSMMHI-MRXNPFEDSA-N 1 1 339.480 0.995 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O ZINC001024533347 738070436 /nfs/dbraw/zinc/07/04/36/738070436.db2.gz PJJXRYARJVBTPO-IXDOHACOSA-N 1 1 347.459 0.208 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1COCCN1CC(F)F ZINC001024575777 738122330 /nfs/dbraw/zinc/12/23/30/738122330.db2.gz NKXACCHEGMKJBQ-LSDHHAIUSA-N 1 1 343.418 0.946 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001024605928 738159305 /nfs/dbraw/zinc/15/93/05/738159305.db2.gz FGQRRBXYBJGWSX-UUAJXVIYSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001024605928 738159307 /nfs/dbraw/zinc/15/93/07/738159307.db2.gz FGQRRBXYBJGWSX-UUAJXVIYSA-N 1 1 347.459 0.636 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)s1 ZINC001024626714 738178168 /nfs/dbraw/zinc/17/81/68/738178168.db2.gz GENFLTNFKKSBJW-FZMZJTMJSA-N 1 1 347.444 0.772 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)s1 ZINC001024626714 738178170 /nfs/dbraw/zinc/17/81/70/738178170.db2.gz GENFLTNFKKSBJW-FZMZJTMJSA-N 1 1 347.444 0.772 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1 ZINC001024627194 738178730 /nfs/dbraw/zinc/17/87/30/738178730.db2.gz JXVFDNDOPALZOE-CVEARBPZSA-N 1 1 341.415 0.710 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCn1cncn1 ZINC001024662131 738206188 /nfs/dbraw/zinc/20/61/88/738206188.db2.gz SKVHCFYGQVHDAU-XHSDSOJGSA-N 1 1 333.436 0.840 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ccnnc2)C1=O ZINC001024674081 738214656 /nfs/dbraw/zinc/21/46/56/738214656.db2.gz RCNHSRCQAMCYJI-CVEARBPZSA-N 1 1 343.431 0.848 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ccnnc2)C1=O ZINC001024674081 738214657 /nfs/dbraw/zinc/21/46/57/738214657.db2.gz RCNHSRCQAMCYJI-CVEARBPZSA-N 1 1 343.431 0.848 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C(C)(C)[C@H]21 ZINC001087309408 738238835 /nfs/dbraw/zinc/23/88/35/738238835.db2.gz GPAJIEGOWJXHAR-WQVCFCJDSA-N 1 1 331.416 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc(=O)n(C)n3)C(C)(C)[C@H]21 ZINC001087316868 738273077 /nfs/dbraw/zinc/27/30/77/738273077.db2.gz YPONYMOCYOROKC-WQVCFCJDSA-N 1 1 328.416 0.632 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)csc3=O)[C@H]2C1 ZINC001083271842 738277353 /nfs/dbraw/zinc/27/73/53/738277353.db2.gz GQTJIUZPQDSKEJ-UONOGXRCSA-N 1 1 335.429 0.153 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)csc3=O)[C@H]2C1 ZINC001083271842 738277357 /nfs/dbraw/zinc/27/73/57/738277357.db2.gz GQTJIUZPQDSKEJ-UONOGXRCSA-N 1 1 335.429 0.153 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069999893 790295517 /nfs/dbraw/zinc/29/55/17/790295517.db2.gz XVSRMRJHSZRUJC-PWSUYJOCSA-N 1 1 334.405 0.672 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025241236 738905089 /nfs/dbraw/zinc/90/50/89/738905089.db2.gz VOOCSTGXKSMHIU-IAGOWNOFSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001025247865 738924561 /nfs/dbraw/zinc/92/45/61/738924561.db2.gz RIOGUJVJZQLQJH-HUUCEWRRSA-N 1 1 344.415 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cn(C)c(=O)cn1 ZINC001025253642 738947299 /nfs/dbraw/zinc/94/72/99/738947299.db2.gz WQGUTVZRUIDCMH-JKSUJKDBSA-N 1 1 328.416 0.873 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(N)=O)cc1 ZINC001028182969 751401635 /nfs/dbraw/zinc/40/16/35/751401635.db2.gz JGQAYVFKXAZMDB-ZFWWWQNUSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(N)=O)cc1 ZINC001028182969 751401638 /nfs/dbraw/zinc/40/16/38/751401638.db2.gz JGQAYVFKXAZMDB-ZFWWWQNUSA-N 1 1 329.400 0.767 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ncccc2C#N)C1 ZINC001104579110 739012058 /nfs/dbraw/zinc/01/20/58/739012058.db2.gz KIIZPJBNCBREBS-UKRRQHHQSA-N 1 1 331.420 0.933 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNc2ncccc2C#N)C1 ZINC001104579110 739012062 /nfs/dbraw/zinc/01/20/62/739012062.db2.gz KIIZPJBNCBREBS-UKRRQHHQSA-N 1 1 331.420 0.933 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC000973285152 739047796 /nfs/dbraw/zinc/04/77/96/739047796.db2.gz NCIKPQMHXQBVSU-JOCQHMNTSA-N 1 1 343.391 0.046 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000973295491 739059774 /nfs/dbraw/zinc/05/97/74/739059774.db2.gz LVXSDZSMCKMHFB-TUVASFSCSA-N 1 1 332.404 0.546 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000973354720 739140277 /nfs/dbraw/zinc/14/02/77/739140277.db2.gz BNTAXTRFDUYMNF-FPCVCCKLSA-N 1 1 347.459 0.969 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2nccnc2C)nn1 ZINC001028187919 751420017 /nfs/dbraw/zinc/42/00/17/751420017.db2.gz QEYGJCBEJCKMOA-CQSZACIVSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2nccnc2C)nn1 ZINC001028187919 751420022 /nfs/dbraw/zinc/42/00/22/751420022.db2.gz QEYGJCBEJCKMOA-CQSZACIVSA-N 1 1 341.419 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2conc2CC)C1 ZINC000973410850 739224584 /nfs/dbraw/zinc/22/45/84/739224584.db2.gz XKIFPJIDEVIZCT-XEZPLFJOSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2conc2CC)C1 ZINC000973410850 739224587 /nfs/dbraw/zinc/22/45/87/739224587.db2.gz XKIFPJIDEVIZCT-XEZPLFJOSA-N 1 1 344.415 0.712 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC000973485021 739378868 /nfs/dbraw/zinc/37/88/68/739378868.db2.gz DCCKTWYBZIZVQQ-QCEMKRCNSA-N 1 1 340.427 0.638 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O ZINC000982003906 751446744 /nfs/dbraw/zinc/44/67/44/751446744.db2.gz INQCYBRIJQPYEX-VQHPVUNQSA-N 1 1 347.459 0.875 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O ZINC000982003906 751446747 /nfs/dbraw/zinc/44/67/47/751446747.db2.gz INQCYBRIJQPYEX-VQHPVUNQSA-N 1 1 347.459 0.875 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC000973545361 739496512 /nfs/dbraw/zinc/49/65/12/739496512.db2.gz QBUPVGHBDCORPB-KBRIMQKVSA-N 1 1 340.427 0.782 20 30 ECEDMO C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001041977405 782531544 /nfs/dbraw/zinc/53/15/44/782531544.db2.gz ASAAHUUHCBCZEE-UXIGCNINSA-N 1 1 331.395 0.985 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC23CCN(c2nccnc2C#N)CC3)C1 ZINC001058636819 739568140 /nfs/dbraw/zinc/56/81/40/739568140.db2.gz UWBRRDBULCQCAM-DZGCQCFKSA-N 1 1 340.431 0.775 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001025489432 739652099 /nfs/dbraw/zinc/65/20/99/739652099.db2.gz PFPVETKYZUMHSU-STQMWFEESA-N 1 1 326.404 0.827 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@H]2O)C1 ZINC001025549027 739705193 /nfs/dbraw/zinc/70/51/93/739705193.db2.gz WBCFXFCYKDXAMC-OWCLPIDISA-N 1 1 349.475 0.905 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)N3CCCCC3=O)[C@H]2C1 ZINC001083283335 739717529 /nfs/dbraw/zinc/71/75/29/739717529.db2.gz VNBBDOBPWMLFEN-OWCLPIDISA-N 1 1 335.448 0.875 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001025591530 739755977 /nfs/dbraw/zinc/75/59/77/739755977.db2.gz DEPSTTVQOGCHDX-QWRGUYRKSA-N 1 1 336.392 0.913 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccnc3nc(C)nn32)C1 ZINC001025593715 739757640 /nfs/dbraw/zinc/75/76/40/739757640.db2.gz BUDJLSNJHAFRIL-TZMCWYRMSA-N 1 1 326.404 0.896 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025615008 739777649 /nfs/dbraw/zinc/77/76/49/739777649.db2.gz RHQVJSKBUSMUQN-OLZOCXBDSA-N 1 1 331.420 0.982 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@H]1C(F)(F)F ZINC001112029253 739853033 /nfs/dbraw/zinc/85/30/33/739853033.db2.gz XLJURPTVUHYRBX-HTQZYQBOSA-N 1 1 329.269 0.533 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC000982023564 751487424 /nfs/dbraw/zinc/48/74/24/751487424.db2.gz MEXQPFCEQVUSSW-PMPSAXMXSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1C(F)(F)F ZINC001112034402 740027651 /nfs/dbraw/zinc/02/76/51/740027651.db2.gz HUSVHZUXGNDGET-NXEZZACHSA-N 1 1 337.317 0.463 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCCO3)C2)nn1 ZINC001098604639 740150904 /nfs/dbraw/zinc/15/09/04/740150904.db2.gz VBJZMYFHOLCGCL-JKSUJKDBSA-N 1 1 349.435 0.523 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(N)=O)n3)[C@H]2C1 ZINC001083287315 740252257 /nfs/dbraw/zinc/25/22/57/740252257.db2.gz BXAGIHXHHAPBSV-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(N)=O)n3)[C@H]2C1 ZINC001083287315 740252260 /nfs/dbraw/zinc/25/22/60/740252260.db2.gz BXAGIHXHHAPBSV-LSDHHAIUSA-N 1 1 330.388 0.282 20 30 ECEDMO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001104781846 740486228 /nfs/dbraw/zinc/48/62/28/740486228.db2.gz XATGZOARJFYJQT-MJBXVCDLSA-N 1 1 330.436 0.759 20 30 ECEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)c3cn(C)c(=O)n(C)c3=O)C2)C1 ZINC000982048642 751549389 /nfs/dbraw/zinc/54/93/89/751549389.db2.gz SNQZNVIGLODYOT-UHFFFAOYSA-N 1 1 346.431 0.198 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000982073098 751563016 /nfs/dbraw/zinc/56/30/16/751563016.db2.gz GHOISIDIFSQIDP-UHFFFAOYSA-N 1 1 340.811 0.215 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000982073098 751563019 /nfs/dbraw/zinc/56/30/19/751563019.db2.gz GHOISIDIFSQIDP-UHFFFAOYSA-N 1 1 340.811 0.215 20 30 ECEDMO C[C@H](CNc1ncccc1C#N)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104869313 740767563 /nfs/dbraw/zinc/76/75/63/740767563.db2.gz SBKIYVOZYBMDHD-UMVBOHGHSA-N 1 1 331.420 0.931 20 30 ECEDMO C[C@H](CNc1ncccc1C#N)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104869313 740767565 /nfs/dbraw/zinc/76/75/65/740767565.db2.gz SBKIYVOZYBMDHD-UMVBOHGHSA-N 1 1 331.420 0.931 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000974048782 740845982 /nfs/dbraw/zinc/84/59/82/740845982.db2.gz LXKHFWUYKVADPZ-BETUJISGSA-N 1 1 326.360 0.469 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@@H](C)O2 ZINC001098611093 740869510 /nfs/dbraw/zinc/86/95/10/740869510.db2.gz XCNBZXGSMZFKLR-ZIAGYGMSSA-N 1 1 344.477 0.687 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccncc2C)C1 ZINC000974105154 740942988 /nfs/dbraw/zinc/94/29/88/740942988.db2.gz KZYLROVAFQKWQQ-UXLLHSPISA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccncc2C)C1 ZINC000974105154 740942992 /nfs/dbraw/zinc/94/29/92/740942992.db2.gz KZYLROVAFQKWQQ-UXLLHSPISA-N 1 1 340.427 0.865 20 30 ECEDMO CC(C)C[C@@H](CNc1ccncc1C#N)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104926613 740949512 /nfs/dbraw/zinc/94/95/12/740949512.db2.gz XBSZZUGYZSEUME-DOTOQJQBSA-N 1 1 345.447 0.649 20 30 ECEDMO CC(C)C[C@@H](CNc1ccncc1C#N)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104926613 740949514 /nfs/dbraw/zinc/94/95/14/740949514.db2.gz XBSZZUGYZSEUME-DOTOQJQBSA-N 1 1 345.447 0.649 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)nc1 ZINC000974149777 741017692 /nfs/dbraw/zinc/01/76/92/741017692.db2.gz BSOCBEFAKOYDKA-GASCZTMLSA-N 1 1 337.383 0.645 20 30 ECEDMO N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001059857221 751610119 /nfs/dbraw/zinc/61/01/19/751610119.db2.gz SMNILOQCEPCLLH-AYRXBEOTSA-N 1 1 342.403 0.271 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[N@@H+](CCn3cccn3)CC2)nn1 ZINC000982117562 751611488 /nfs/dbraw/zinc/61/14/88/751611488.db2.gz AVRWSRXYFLXCHC-UHFFFAOYSA-N 1 1 329.408 0.509 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000974265653 741197395 /nfs/dbraw/zinc/19/73/95/741197395.db2.gz RCCMKAOAOLGALY-OWYFMNJBSA-N 1 1 333.432 0.272 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000974265653 741197398 /nfs/dbraw/zinc/19/73/98/741197398.db2.gz RCCMKAOAOLGALY-OWYFMNJBSA-N 1 1 333.432 0.272 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000974273328 741212519 /nfs/dbraw/zinc/21/25/19/741212519.db2.gz ODDUEYHYVCOUCA-APIJFGDWSA-N 1 1 335.448 0.825 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000974273328 741212524 /nfs/dbraw/zinc/21/25/24/741212524.db2.gz ODDUEYHYVCOUCA-APIJFGDWSA-N 1 1 335.448 0.825 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCn1nc(C)cc1C ZINC001038369063 741254977 /nfs/dbraw/zinc/25/49/77/741254977.db2.gz SUZKINRGDMRRMG-ROUUACIJSA-N 1 1 343.475 0.788 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCn1nc(C)cc1C ZINC001038369063 741254979 /nfs/dbraw/zinc/25/49/79/741254979.db2.gz SUZKINRGDMRRMG-ROUUACIJSA-N 1 1 343.475 0.788 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nc(CC)no1 ZINC001038369081 741255151 /nfs/dbraw/zinc/25/51/51/741255151.db2.gz SWLWJTRKDAQQQB-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nc(CC)no1 ZINC001038369081 741255153 /nfs/dbraw/zinc/25/51/53/741255153.db2.gz SWLWJTRKDAQQQB-KBPBESRZSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)O)C2)CC1 ZINC001105062576 741267917 /nfs/dbraw/zinc/26/79/17/741267917.db2.gz YIZJIACEHYKSRN-SOLBZPMBSA-N 1 1 335.492 0.787 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3CC)C2)nn1 ZINC001105219542 741484535 /nfs/dbraw/zinc/48/45/35/741484535.db2.gz DYTYSELJWZQCRH-UHFFFAOYSA-N 1 1 329.408 0.857 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)COC)nn2)C1 ZINC001105223614 741500428 /nfs/dbraw/zinc/50/04/28/741500428.db2.gz AORIPWZOALWROM-LRDDRELGSA-N 1 1 337.424 0.113 20 30 ECEDMO CCCCOCC[NH2+]Cc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1 ZINC001105237895 741524584 /nfs/dbraw/zinc/52/45/84/741524584.db2.gz BPHJWLFVRMXGKR-UHFFFAOYSA-N 1 1 345.447 0.981 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cn4c(n3)CCC4)C2)nn1 ZINC001105243286 741544329 /nfs/dbraw/zinc/54/43/29/741544329.db2.gz ZYTIYXZVCNARGA-UHFFFAOYSA-N 1 1 341.419 0.784 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cn4c(n3)CCC4)C2)nn1 ZINC001105243212 741544493 /nfs/dbraw/zinc/54/44/93/741544493.db2.gz ZCVWJFMZJBFESB-UHFFFAOYSA-N 1 1 327.392 0.394 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C2CCC(NC(=O)Cc3cnc[nH]3)CC2)C1=O ZINC001026568521 741566350 /nfs/dbraw/zinc/56/63/50/741566350.db2.gz KSNUJYLFNBSRKQ-ZBCRRDGASA-N 1 1 345.447 0.756 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CCF)c3)C2)nn1 ZINC001105275709 741620803 /nfs/dbraw/zinc/62/08/03/741620803.db2.gz YYJYWVLSEQLJHY-UHFFFAOYSA-N 1 1 333.371 0.417 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C(=O)Nc3ccccc3)C2)nn1 ZINC001105276295 741629232 /nfs/dbraw/zinc/62/92/32/741629232.db2.gz GBSXNOQORFZXSH-UHFFFAOYSA-N 1 1 340.387 0.576 20 30 ECEDMO CC(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1C)Nc1ccnc(C#N)n1 ZINC001105288418 741648882 /nfs/dbraw/zinc/64/88/82/741648882.db2.gz MHQKQJAGEGOTMV-KBPBESRZSA-N 1 1 330.436 0.807 20 30 ECEDMO CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1ccnc(C#N)n1 ZINC001105288445 741648924 /nfs/dbraw/zinc/64/89/24/741648924.db2.gz MPRSYTSDXCXAGX-ZIAGYGMSSA-N 1 1 330.436 0.665 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3c(C)nn(C)c3C)C2)nn1 ZINC001105292536 741656751 /nfs/dbraw/zinc/65/67/51/741656751.db2.gz UGANXGBKCCBDJX-UHFFFAOYSA-N 1 1 343.435 0.530 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)cc(C)[nH]c3=O)C2)nn1 ZINC001105294841 741666504 /nfs/dbraw/zinc/66/65/04/741666504.db2.gz JKOWFJWQZJOBKE-UHFFFAOYSA-N 1 1 342.403 0.968 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)CCC(=O)NC3)C2)nn1 ZINC001105309771 741718433 /nfs/dbraw/zinc/71/84/33/741718433.db2.gz BXUKRLIYRLSWBT-QGZVFWFLSA-N 1 1 346.435 0.243 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)nn1 ZINC001105312605 741730946 /nfs/dbraw/zinc/73/09/46/741730946.db2.gz UGMVWLAUCHHJQM-MRXNPFEDSA-N 1 1 348.451 0.046 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC000982157183 751664136 /nfs/dbraw/zinc/66/41/36/751664136.db2.gz HBDCKFFYRIYFEV-INIZCTEOSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001026744050 741751564 /nfs/dbraw/zinc/75/15/64/741751564.db2.gz CXGGGTPVVLWSRR-DZGCQCFKSA-N 1 1 331.420 0.177 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001058730642 741762612 /nfs/dbraw/zinc/76/26/12/741762612.db2.gz CRHVTLHDVZCTDW-KRWDZBQOSA-N 1 1 336.436 0.731 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974473170 741778736 /nfs/dbraw/zinc/77/87/36/741778736.db2.gz RRQBBWWKJBWUGB-BXUZGUMPSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974473170 741778738 /nfs/dbraw/zinc/77/87/38/741778738.db2.gz RRQBBWWKJBWUGB-BXUZGUMPSA-N 1 1 331.420 0.803 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N3CCOCC3)C2)C1 ZINC000982160434 751668464 /nfs/dbraw/zinc/66/84/64/751668464.db2.gz XSQDNTTXKVUYBP-QGZVFWFLSA-N 1 1 331.460 0.655 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3ncn(C)n3)C(C)(C)C2)C1=O ZINC000974561098 741892228 /nfs/dbraw/zinc/89/22/28/741892228.db2.gz NHYFXYSATDEFEI-STQMWFEESA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3ncn(C)n3)C(C)(C)C2)C1=O ZINC000974561098 741892231 /nfs/dbraw/zinc/89/22/31/741892231.db2.gz NHYFXYSATDEFEI-STQMWFEESA-N 1 1 346.435 0.042 20 30 ECEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974602689 741925211 /nfs/dbraw/zinc/92/52/11/741925211.db2.gz LSNDDYPURHHUDD-OAHLLOKOSA-N 1 1 339.403 0.572 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974602689 741925216 /nfs/dbraw/zinc/92/52/16/741925216.db2.gz LSNDDYPURHHUDD-OAHLLOKOSA-N 1 1 339.403 0.572 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974639463 741959982 /nfs/dbraw/zinc/95/99/82/741959982.db2.gz HQVRBAVKAVSRKW-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974639469 741959989 /nfs/dbraw/zinc/95/99/89/741959989.db2.gz HQVRBAVKAVSRKW-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000974784617 742178833 /nfs/dbraw/zinc/17/88/33/742178833.db2.gz SBGYPFQCJUTKQL-ZDUSSCGKSA-N 1 1 334.420 0.742 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000974791245 742194021 /nfs/dbraw/zinc/19/40/21/742194021.db2.gz OPFHZJNAANUAQN-OAHLLOKOSA-N 1 1 348.447 0.906 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000974859160 742256459 /nfs/dbraw/zinc/25/64/59/742256459.db2.gz AZWIUUQBWMPPHC-KBPBESRZSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@H+]1C[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000974859160 742256460 /nfs/dbraw/zinc/25/64/60/742256460.db2.gz AZWIUUQBWMPPHC-KBPBESRZSA-N 1 1 326.462 0.804 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C(C)(C)C1 ZINC000974880506 742288599 /nfs/dbraw/zinc/28/85/99/742288599.db2.gz PDUMIMLABXEKBL-LSDHHAIUSA-N 1 1 329.448 0.999 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3csc4cncn43)C2)nn1 ZINC001105337050 742419975 /nfs/dbraw/zinc/41/99/75/742419975.db2.gz QNPNLZOJWYYAFP-UHFFFAOYSA-N 1 1 343.416 0.960 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)n3ccnc3)C2)nn1 ZINC001105337091 742428217 /nfs/dbraw/zinc/42/82/17/742428217.db2.gz RSDPSPAQLVZYTG-ZDUSSCGKSA-N 1 1 329.408 0.785 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C(C)(C)C1 ZINC000974990301 742438336 /nfs/dbraw/zinc/43/83/36/742438336.db2.gz YXQKWEDGTIRXNJ-CJNGLKHVSA-N 1 1 329.448 0.770 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@H]32)C1 ZINC000975064917 742470511 /nfs/dbraw/zinc/47/05/11/742470511.db2.gz KMCOFULWKRDYAX-OAGGEKHMSA-N 1 1 347.459 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@H]32)C1 ZINC000975064917 742470515 /nfs/dbraw/zinc/47/05/15/742470515.db2.gz KMCOFULWKRDYAX-OAGGEKHMSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C(C)(C)C1 ZINC000975071159 742472277 /nfs/dbraw/zinc/47/22/77/742472277.db2.gz KDPIOBHCTVTBEX-CQSZACIVSA-N 1 1 330.432 0.814 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[NH2+]Cc3cnsn3)C2)nn1 ZINC001027110805 742597289 /nfs/dbraw/zinc/59/72/89/742597289.db2.gz RSPNTKAMAIDGSQ-LLVKDONJSA-N 1 1 333.421 0.568 20 30 ECEDMO C=CCC[NH+]1CCN(C2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)CC1 ZINC000996787674 742864765 /nfs/dbraw/zinc/86/47/65/742864765.db2.gz SEWNCSDFBZYUBI-GPANFISMSA-N 1 1 349.479 0.289 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001028937131 742921480 /nfs/dbraw/zinc/92/14/80/742921480.db2.gz MQRRGWYTMSJVAM-OLZOCXBDSA-N 1 1 330.388 0.019 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)nc1 ZINC001028939118 742931733 /nfs/dbraw/zinc/93/17/33/742931733.db2.gz GLCQJDACPDFGAL-UKRRQHHQSA-N 1 1 328.416 0.591 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C#N)[nH]3)C[C@@]2(C)C1 ZINC000982256481 751779574 /nfs/dbraw/zinc/77/95/74/751779574.db2.gz XNCAUHVSDZGQDW-PJSAGSTRSA-N 1 1 343.431 0.805 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CCN(C2CC2)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261957686 743139861 /nfs/dbraw/zinc/13/98/61/743139861.db2.gz JHKDUOJGVUTLPZ-ZDUSSCGKSA-N 1 1 342.509 0.555 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CNCc3cnn(C)n3)C2)CC1 ZINC001027233605 743243740 /nfs/dbraw/zinc/24/37/40/743243740.db2.gz GLMSCLSKSFHIAK-HNNXBMFYSA-N 1 1 344.463 0.098 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC000975854297 743355997 /nfs/dbraw/zinc/35/59/97/743355997.db2.gz STTXCXOKKJVLLL-CABCVRRESA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC000975854297 743356004 /nfs/dbraw/zinc/35/60/04/743356004.db2.gz STTXCXOKKJVLLL-CABCVRRESA-N 1 1 343.431 0.618 20 30 ECEDMO C=CCCOCC(=O)N1CC(n2cc(C[NH2+][C@H](C)COC)nn2)C1 ZINC001105380992 743439724 /nfs/dbraw/zinc/43/97/24/743439724.db2.gz LCRQHMIVMYTIEH-CYBMUJFWSA-N 1 1 337.424 0.379 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC(NCc3cnon3)CC2)CC1 ZINC000997365019 743536240 /nfs/dbraw/zinc/53/62/40/743536240.db2.gz PNSMRNULNOBSRF-UHFFFAOYSA-N 1 1 331.420 0.495 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001059170585 743542265 /nfs/dbraw/zinc/54/22/65/743542265.db2.gz HHSKZDCKCKIXQC-OBJOEFQTSA-N 1 1 344.419 0.300 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001059170585 743542270 /nfs/dbraw/zinc/54/22/70/743542270.db2.gz HHSKZDCKCKIXQC-OBJOEFQTSA-N 1 1 344.419 0.300 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001059170734 743543195 /nfs/dbraw/zinc/54/31/95/743543195.db2.gz ONCJFMDYJUZUTC-YRGRVCCFSA-N 1 1 349.822 0.996 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001059170734 743543198 /nfs/dbraw/zinc/54/31/98/743543198.db2.gz ONCJFMDYJUZUTC-YRGRVCCFSA-N 1 1 349.822 0.996 20 30 ECEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000997751494 743790770 /nfs/dbraw/zinc/79/07/70/743790770.db2.gz YQPWSGIZNFANFI-FPMFFAJLSA-N 1 1 343.855 0.989 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)CCN2CCCS2(=O)=O)C1 ZINC001027336252 743795547 /nfs/dbraw/zinc/79/55/47/743795547.db2.gz OSFYZHULWVTHCJ-UONOGXRCSA-N 1 1 342.465 0.104 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnon1 ZINC000997768251 743799786 /nfs/dbraw/zinc/79/97/86/743799786.db2.gz ANZOVPJRQFAVAD-DHMWGJHJSA-N 1 1 343.387 0.029 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnon1 ZINC000997768251 743799788 /nfs/dbraw/zinc/79/97/88/743799788.db2.gz ANZOVPJRQFAVAD-DHMWGJHJSA-N 1 1 343.387 0.029 20 30 ECEDMO C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC000982283087 751862549 /nfs/dbraw/zinc/86/25/49/751862549.db2.gz MRYGQSHRNNYEDC-AHCXZYCDSA-N 1 1 332.448 0.544 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027344391 743828108 /nfs/dbraw/zinc/82/81/08/743828108.db2.gz UWNBRXRDBPXUBY-HNNXBMFYSA-N 1 1 344.415 0.865 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2oncc2C)C1=O ZINC001028239785 751869380 /nfs/dbraw/zinc/86/93/80/751869380.db2.gz WXGAPKOHJCHVSW-UONOGXRCSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2oncc2C)C1=O ZINC001028239785 751869389 /nfs/dbraw/zinc/86/93/89/751869389.db2.gz WXGAPKOHJCHVSW-UONOGXRCSA-N 1 1 332.404 0.964 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000976407381 743917453 /nfs/dbraw/zinc/91/74/53/743917453.db2.gz HRUGSBRBXFKVEF-LCSDZXHASA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCOC1 ZINC001075898917 751873638 /nfs/dbraw/zinc/87/36/38/751873638.db2.gz JZUDSUCAXQUVJH-JYJNAYRXSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCOC1 ZINC001075898917 751873650 /nfs/dbraw/zinc/87/36/50/751873650.db2.gz JZUDSUCAXQUVJH-JYJNAYRXSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000998142178 744001586 /nfs/dbraw/zinc/00/15/86/744001586.db2.gz LMQNQLBILLMUHG-AWEZNQCLSA-N 1 1 348.447 0.587 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000998147705 744005118 /nfs/dbraw/zinc/00/51/18/744005118.db2.gz YSRVZFQCHDQJCK-RYUDHWBXSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC000998186883 744038065 /nfs/dbraw/zinc/03/80/65/744038065.db2.gz HMBJEKLVVXWJGC-ROUUACIJSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000998193750 744042436 /nfs/dbraw/zinc/04/24/36/744042436.db2.gz BZVLUIMKQOLKLP-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000998194898 744043098 /nfs/dbraw/zinc/04/30/98/744043098.db2.gz FTKOWTPJUUFBMW-AWEZNQCLSA-N 1 1 348.451 0.656 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000998197165 744044630 /nfs/dbraw/zinc/04/46/30/744044630.db2.gz PFNRGJDFQYNKJB-ZDUSSCGKSA-N 1 1 334.420 0.989 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cn(C)nc3C)C2)nn1 ZINC001105338758 744093974 /nfs/dbraw/zinc/09/39/74/744093974.db2.gz AJCVOSRHBUEBLU-UHFFFAOYSA-N 1 1 343.435 0.612 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001058772376 744144841 /nfs/dbraw/zinc/14/48/41/744144841.db2.gz OUBUMDYXJNCACI-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000976645444 744175633 /nfs/dbraw/zinc/17/56/33/744175633.db2.gz HBETXQLFQFHFMS-ARKGTOAJSA-N 1 1 347.459 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(CC)CC3)C[C@H]21 ZINC000976737775 744263742 /nfs/dbraw/zinc/26/37/42/744263742.db2.gz VZEGWNLFVJVZFO-XUWVNRHRSA-N 1 1 329.444 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(CC)CC3)C[C@H]21 ZINC000976737775 744263745 /nfs/dbraw/zinc/26/37/45/744263745.db2.gz VZEGWNLFVJVZFO-XUWVNRHRSA-N 1 1 329.444 0.847 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001028249511 751918304 /nfs/dbraw/zinc/91/83/04/751918304.db2.gz BZGGLVDNLSFJRZ-UONOGXRCSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001028249511 751918310 /nfs/dbraw/zinc/91/83/10/751918310.db2.gz BZGGLVDNLSFJRZ-UONOGXRCSA-N 1 1 344.415 0.729 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2cn(C)nn2)C1 ZINC001027446911 744488153 /nfs/dbraw/zinc/48/81/53/744488153.db2.gz XGCXQELAZVBZES-SJORKVTESA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2cn(C)nn2)C1 ZINC001027446911 744488155 /nfs/dbraw/zinc/48/81/55/744488155.db2.gz XGCXQELAZVBZES-SJORKVTESA-N 1 1 344.463 0.336 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000999179947 744552449 /nfs/dbraw/zinc/55/24/49/744552449.db2.gz DOGAHOQHPOGOLY-MCIONIFRSA-N 1 1 334.424 0.272 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)nn1 ZINC001105339608 744564284 /nfs/dbraw/zinc/56/42/84/744564284.db2.gz UOJZUAJJXFHTAG-CYBMUJFWSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nn(C)cc3C)[C@H]2C)C1=O ZINC001088562856 751933105 /nfs/dbraw/zinc/93/31/05/751933105.db2.gz QDJVQCPBKIDUEZ-QLFBSQMISA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nn(C)cc3C)[C@H]2C)C1=O ZINC001088562856 751933111 /nfs/dbraw/zinc/93/31/11/751933111.db2.gz QDJVQCPBKIDUEZ-QLFBSQMISA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1=O ZINC001027475787 744710928 /nfs/dbraw/zinc/71/09/28/744710928.db2.gz ZOPZZFIGBCLXKZ-JSGCOSHPSA-N 1 1 332.408 0.128 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cnc3sccn3c2=O)C1 ZINC001027484130 744740580 /nfs/dbraw/zinc/74/05/80/744740580.db2.gz XVMFORCUIVAPBD-GFCCVEGCSA-N 1 1 330.413 0.926 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001149137036 751945696 /nfs/dbraw/zinc/94/56/96/751945696.db2.gz MCWPOOBZYAVGQE-HOTGVXAUSA-N 1 1 335.448 0.852 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001149137036 751945702 /nfs/dbraw/zinc/94/57/02/751945702.db2.gz MCWPOOBZYAVGQE-HOTGVXAUSA-N 1 1 335.448 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccccn1 ZINC000977289756 744833389 /nfs/dbraw/zinc/83/33/89/744833389.db2.gz QIKFFGWNGQAZBE-WBVHZDCISA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccccn1 ZINC000977289756 744833392 /nfs/dbraw/zinc/83/33/92/744833392.db2.gz QIKFFGWNGQAZBE-WBVHZDCISA-N 1 1 340.427 0.852 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[N@@H+]([C@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977304344 744848942 /nfs/dbraw/zinc/84/89/42/744848942.db2.gz PKHNETSEGIDLIW-OCCSQVGLSA-N 1 1 348.451 0.429 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[N@H+]([C@H](C)C(=O)NC)CC2(C)C)nn1 ZINC000977304344 744848946 /nfs/dbraw/zinc/84/89/46/744848946.db2.gz PKHNETSEGIDLIW-OCCSQVGLSA-N 1 1 348.451 0.429 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC3CS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982318481 751951439 /nfs/dbraw/zinc/95/14/39/751951439.db2.gz GDRDUXLZLXMPPR-CALCHBBNSA-N 1 1 338.473 0.615 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3n[nH]nc3C)C2)C1=O ZINC001027517884 744937570 /nfs/dbraw/zinc/93/75/70/744937570.db2.gz KPKMFQGRPJIQAV-UONOGXRCSA-N 1 1 346.435 0.436 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccon1 ZINC000977418060 744951228 /nfs/dbraw/zinc/95/12/28/744951228.db2.gz JAPBNYJJBALBPR-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccon1 ZINC000977418060 744951232 /nfs/dbraw/zinc/95/12/32/744951232.db2.gz JAPBNYJJBALBPR-ZFWWWQNUSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000977419247 744955541 /nfs/dbraw/zinc/95/55/41/744955541.db2.gz LGDVUBVGRBUIAS-GFCCVEGCSA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C)n[nH]1 ZINC000977432443 744990754 /nfs/dbraw/zinc/99/07/54/744990754.db2.gz TZZRRXAWOZLKOR-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C)n[nH]1 ZINC000977432443 744990757 /nfs/dbraw/zinc/99/07/57/744990757.db2.gz TZZRRXAWOZLKOR-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C)[nH]n1 ZINC000977432443 744990761 /nfs/dbraw/zinc/99/07/61/744990761.db2.gz TZZRRXAWOZLKOR-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C)[nH]n1 ZINC000977432443 744990762 /nfs/dbraw/zinc/99/07/62/744990762.db2.gz TZZRRXAWOZLKOR-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CCC[C@@](CO)(Nc2ccncc2C#N)C1 ZINC001112228765 751965790 /nfs/dbraw/zinc/96/57/90/751965790.db2.gz XZSUKXQJERXQNN-GOSISDBHSA-N 1 1 345.447 0.482 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000999901225 745036511 /nfs/dbraw/zinc/03/65/11/745036511.db2.gz FBAUJUYQRNUSOD-GUYCJALGSA-N 1 1 325.412 0.806 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C(C)(C)C1 ZINC000977466985 745054060 /nfs/dbraw/zinc/05/40/60/745054060.db2.gz JFUGKGKGGOGGAZ-ZDUSSCGKSA-N 1 1 327.388 0.898 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc[n+]([O-])cc3)nn2)C1 ZINC000999948123 745084164 /nfs/dbraw/zinc/08/41/64/745084164.db2.gz CSHVLESXDMNMHX-MRXNPFEDSA-N 1 1 342.403 0.664 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cncnc3C)nn2)C1 ZINC000999954840 745094197 /nfs/dbraw/zinc/09/41/97/745094197.db2.gz HMKBCQVIFJVJAU-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC2(C)C)cn1 ZINC000977521004 745112008 /nfs/dbraw/zinc/11/20/08/745112008.db2.gz CYHBNGOQCCJDBG-LSDHHAIUSA-N 1 1 326.400 0.392 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC2(C)C)cn1 ZINC000977521004 745112009 /nfs/dbraw/zinc/11/20/09/745112009.db2.gz CYHBNGOQCCJDBG-LSDHHAIUSA-N 1 1 326.400 0.392 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CN(C)CCO3)nn2)C1 ZINC000999975919 745124414 /nfs/dbraw/zinc/12/44/14/745124414.db2.gz SFDXKVYICVFGPP-HZPDHXFCSA-N 1 1 348.451 0.048 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCNC(=O)C3)nn2)C1 ZINC000999977237 745126440 /nfs/dbraw/zinc/12/64/40/745126440.db2.gz ARAQXOPCPIXKAP-ZFWWWQNUSA-N 1 1 346.435 0.243 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 ZINC000999981772 745133242 /nfs/dbraw/zinc/13/32/42/745133242.db2.gz WPRREGFVKCKXEM-ZDUSSCGKSA-N 1 1 349.826 0.941 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 ZINC000999981772 745133247 /nfs/dbraw/zinc/13/32/47/745133247.db2.gz WPRREGFVKCKXEM-ZDUSSCGKSA-N 1 1 349.826 0.941 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3COC(=O)N3)nn2)C1 ZINC000999985080 745137618 /nfs/dbraw/zinc/13/76/18/745137618.db2.gz NBNBIGFQZFYTSW-KBPBESRZSA-N 1 1 348.407 0.216 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nccn3CC)nn2)C1 ZINC000999985866 745139283 /nfs/dbraw/zinc/13/92/83/745139283.db2.gz QHFILVAZXYPWKN-HNNXBMFYSA-N 1 1 341.419 0.695 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC(=O)N(C)C3)nn2)C1 ZINC000999988040 745143566 /nfs/dbraw/zinc/14/35/66/745143566.db2.gz SENZWRYNPMUDFF-DZGCQCFKSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnn3C(F)F)nn2)C1 ZINC000999988524 745144139 /nfs/dbraw/zinc/14/41/39/745144139.db2.gz WLRDQUYZCKIWCD-GFCCVEGCSA-N 1 1 349.345 0.680 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnn3C(F)F)nn2)C1 ZINC000999988526 745144268 /nfs/dbraw/zinc/14/42/68/745144268.db2.gz WLRDQUYZCKIWCD-LBPRGKRZSA-N 1 1 349.345 0.680 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CCN(CC#N)C3)nn2)CC[N@H+]1C ZINC000999988394 745144479 /nfs/dbraw/zinc/14/44/79/745144479.db2.gz USNJTPNBVJUYSO-BPLDGKMQSA-N 1 1 331.424 0.005 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3CC)nn2)C1 ZINC000999989522 745145912 /nfs/dbraw/zinc/14/59/12/745145912.db2.gz CVCNHKIZJZWTAO-OIISXLGYSA-N 1 1 345.447 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3OCC[C@H]3CC)nn2)C1 ZINC000999990221 745146403 /nfs/dbraw/zinc/14/64/03/745146403.db2.gz HDHGZVFWYPYGOR-KBMXLJTQSA-N 1 1 331.420 0.589 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)nc3CC)nn2)C1 ZINC000999990320 745147483 /nfs/dbraw/zinc/14/74/83/745147483.db2.gz HYYAIHIDURCTDU-CQSZACIVSA-N 1 1 341.419 0.384 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)ncn3C)nn2)C1 ZINC000999991332 745148147 /nfs/dbraw/zinc/14/81/47/745148147.db2.gz LJUSFUXLOILDON-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc4n(n3)CCC4)nn2)C1 ZINC000999994630 745153768 /nfs/dbraw/zinc/15/37/68/745153768.db2.gz ZLNKLRRDJRKLDT-HNNXBMFYSA-N 1 1 341.419 0.784 20 30 ECEDMO C=CCn1cccc1C(=O)NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1 ZINC000999994700 745153867 /nfs/dbraw/zinc/15/38/67/745153867.db2.gz ZPSYUQKQQKSOGR-HNNXBMFYSA-N 1 1 344.419 0.435 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC(=O)N3)nn2)C1 ZINC000999995232 745154913 /nfs/dbraw/zinc/15/49/13/745154913.db2.gz FMSDYWHNYICGSW-HUUCEWRRSA-N 1 1 346.435 0.386 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1 ZINC000999995767 745155939 /nfs/dbraw/zinc/15/59/39/745155939.db2.gz HOVJRWDJJATSFH-RRFJBIMHSA-N 1 1 341.419 0.854 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)nn2)C1 ZINC000999995767 745155944 /nfs/dbraw/zinc/15/59/44/745155944.db2.gz HOVJRWDJJATSFH-RRFJBIMHSA-N 1 1 341.419 0.854 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)nn2)C1 ZINC000999995767 745155947 /nfs/dbraw/zinc/15/59/47/745155947.db2.gz HOVJRWDJJATSFH-RRFJBIMHSA-N 1 1 341.419 0.854 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nn2)C1 ZINC000999998996 745159896 /nfs/dbraw/zinc/15/98/96/745159896.db2.gz BEZSUQVULSVFHT-JHMPBIJASA-N 1 1 341.415 0.198 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3CC)nn2)C1 ZINC001000001005 745163718 /nfs/dbraw/zinc/16/37/18/745163718.db2.gz ACORXLGYWHVHMV-AWEZNQCLSA-N 1 1 341.419 0.384 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001027536468 745172027 /nfs/dbraw/zinc/17/20/27/745172027.db2.gz RLIOWDZPDZEPBP-ZOFXXKQRSA-N 1 1 347.459 0.589 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(CCC)n[nH]3)nn2)C1 ZINC001000011755 745179990 /nfs/dbraw/zinc/17/99/90/745179990.db2.gz XQEPHIYYTWALLN-HNNXBMFYSA-N 1 1 341.419 0.764 20 30 ECEDMO C=C1CCC(C(=O)NCc2cn([C@H]3CC[N@H+](CCO)C3)nn2)CC1 ZINC001000012451 745181762 /nfs/dbraw/zinc/18/17/62/745181762.db2.gz FIQWUTAKJGPNLL-INIZCTEOSA-N 1 1 333.436 0.880 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)cnn3C)nn2)C1 ZINC001000016222 745186806 /nfs/dbraw/zinc/18/68/06/745186806.db2.gz RLCWBTQQHWQTIY-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001000016381 745186884 /nfs/dbraw/zinc/18/68/84/745186884.db2.gz BELVSEMBQDHYSG-OAGGEKHMSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)n[nH]c3C)nn2)C1 ZINC001000026658 745198657 /nfs/dbraw/zinc/19/86/57/745198657.db2.gz BJBSEMZQKJGVFL-OAHLLOKOSA-N 1 1 341.419 0.818 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C#C)nc3)nn2)C1 ZINC001000033639 745207694 /nfs/dbraw/zinc/20/76/94/745207694.db2.gz CUOOZBILGWZRPN-GOSISDBHSA-N 1 1 348.410 0.855 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cn([C@@H]3CC[N@H+](CCC)C3)nn2)nn1 ZINC001000035135 745211175 /nfs/dbraw/zinc/21/11/75/745211175.db2.gz YJJLAOQUXRAOPN-CQSZACIVSA-N 1 1 344.423 0.642 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccc4[nH]cnc43)nn2)C1 ZINC001000037394 745215516 /nfs/dbraw/zinc/21/55/16/745215516.db2.gz REWWFLXSUCQNQS-CQSZACIVSA-N 1 1 349.398 0.964 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(=O)[nH]c3)nn2)C1 ZINC001000046425 745227178 /nfs/dbraw/zinc/22/71/78/745227178.db2.gz TXVIPXYCZDLRCM-AWEZNQCLSA-N 1 1 328.376 0.742 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)Cc3cnoc3)C2)C1=O ZINC001027541516 745249504 /nfs/dbraw/zinc/24/95/04/745249504.db2.gz TUXMXGOMVOEEIQ-JKSUJKDBSA-N 1 1 346.431 0.927 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087497633 745258162 /nfs/dbraw/zinc/25/81/62/745258162.db2.gz ZJZCHSMFABLVKM-JKSUJKDBSA-N 1 1 339.403 0.714 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1C#N ZINC001087497633 745258167 /nfs/dbraw/zinc/25/81/67/745258167.db2.gz ZJZCHSMFABLVKM-JKSUJKDBSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCCn1cc(C(=O)NCCC[NH2+]Cc2nc(COC)no2)nn1 ZINC001167990760 745271334 /nfs/dbraw/zinc/27/13/34/745271334.db2.gz AZYLJQCKWCJPPI-UHFFFAOYSA-N 1 1 349.395 0.293 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC000977735407 745432264 /nfs/dbraw/zinc/43/22/64/745432264.db2.gz XYCQDCDWUZMZIP-ZIAGYGMSSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C)[nH]3)C2)nn1 ZINC001000404567 745478215 /nfs/dbraw/zinc/47/82/15/745478215.db2.gz OFWHUBMQMRWKFQ-GFCCVEGCSA-N 1 1 330.396 0.285 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4COCCO4)[C@@H]3C2)c1 ZINC000977841102 745551008 /nfs/dbraw/zinc/55/10/08/745551008.db2.gz RDCZQYIRTOTSAU-FJIDUMEYSA-N 1 1 341.411 0.768 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3ccnn3C)CC2)C1=O ZINC001000505676 745553185 /nfs/dbraw/zinc/55/31/85/745553185.db2.gz NCIQLBSCAWPHRG-INIZCTEOSA-N 1 1 343.431 0.569 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnsn3)C2)nn1 ZINC001020713915 752016924 /nfs/dbraw/zinc/01/69/24/752016924.db2.gz IMHFYNOQHBPDPZ-XYPYZODXSA-N 1 1 333.421 0.756 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)nc1 ZINC001028269780 752020827 /nfs/dbraw/zinc/02/08/27/752020827.db2.gz VZQLALCQCKIGHL-UKRRQHHQSA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)nc1 ZINC001028269780 752020832 /nfs/dbraw/zinc/02/08/32/752020832.db2.gz VZQLALCQCKIGHL-UKRRQHHQSA-N 1 1 340.383 0.062 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3COC(=O)N3)CC2)s1 ZINC001000641547 745657111 /nfs/dbraw/zinc/65/71/11/745657111.db2.gz ZTUZEWXHMXANRG-AWEZNQCLSA-N 1 1 346.412 0.976 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3COC(=O)N3)CC2)s1 ZINC001000641547 745657114 /nfs/dbraw/zinc/65/71/14/745657114.db2.gz ZTUZEWXHMXANRG-AWEZNQCLSA-N 1 1 346.412 0.976 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001027573763 745680008 /nfs/dbraw/zinc/68/00/08/745680008.db2.gz HPGDMWNTCBWEOI-ZACQAIPSSA-N 1 1 347.459 0.712 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)s1 ZINC000977959115 745717371 /nfs/dbraw/zinc/71/73/71/745717371.db2.gz RQJFLIXXUFAXRG-APIJFGDWSA-N 1 1 344.440 0.692 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)NC2CC2)cn1 ZINC001028271077 752029149 /nfs/dbraw/zinc/02/91/49/752029149.db2.gz YBKICVYHKVVFBC-CXAGYDPISA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2CC2)cn1 ZINC001028271077 752029158 /nfs/dbraw/zinc/02/91/58/752029158.db2.gz YBKICVYHKVVFBC-CXAGYDPISA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2cn(C)nn2)CC1 ZINC001000791119 745768646 /nfs/dbraw/zinc/76/86/46/745768646.db2.gz MCPAJSILSFYUPF-KRWDZBQOSA-N 1 1 342.447 0.161 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2cn(C)nn2)CC1 ZINC001000791119 745768650 /nfs/dbraw/zinc/76/86/50/745768650.db2.gz MCPAJSILSFYUPF-KRWDZBQOSA-N 1 1 342.447 0.161 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1cc(C)cn1 ZINC001075805296 745768835 /nfs/dbraw/zinc/76/88/35/745768835.db2.gz ACKMNWAJLQFSSI-HOTGVXAUSA-N 1 1 345.447 0.300 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1cc(C)cn1 ZINC001075805296 745768840 /nfs/dbraw/zinc/76/88/40/745768840.db2.gz ACKMNWAJLQFSSI-HOTGVXAUSA-N 1 1 345.447 0.300 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001020726907 752034707 /nfs/dbraw/zinc/03/47/07/752034707.db2.gz YNKQAIMEPBAJQO-POQQGIQPSA-N 1 1 334.424 0.489 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)[nH]1 ZINC000978040866 745818419 /nfs/dbraw/zinc/81/84/19/745818419.db2.gz RMDNWPRNNKWTNX-QKDCVEJESA-N 1 1 341.415 0.416 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978041656 745818852 /nfs/dbraw/zinc/81/88/52/745818852.db2.gz SGFONRFAZCICCP-QZKOUSHUSA-N 1 1 341.415 0.461 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)N(C)C)nc1 ZINC001028271455 752035854 /nfs/dbraw/zinc/03/58/54/752035854.db2.gz GTKTWQZWYSOGHX-UKRRQHHQSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C)nc1 ZINC001028271455 752035857 /nfs/dbraw/zinc/03/58/57/752035857.db2.gz GTKTWQZWYSOGHX-UKRRQHHQSA-N 1 1 328.416 0.734 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)c[nH]1 ZINC000978031167 745832486 /nfs/dbraw/zinc/83/24/86/745832486.db2.gz WCCHQOTYOXRWFM-APIJFGDWSA-N 1 1 327.388 0.073 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978059844 745840629 /nfs/dbraw/zinc/84/06/29/745840629.db2.gz KHVXSMSCJWKTPZ-FBUXBERBSA-N 1 1 329.404 0.271 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c1 ZINC001007029128 752054243 /nfs/dbraw/zinc/05/42/43/752054243.db2.gz LHERXVUJSDRRGF-HIFRSBDPSA-N 1 1 343.431 0.997 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1=O ZINC001001068058 746041066 /nfs/dbraw/zinc/04/10/66/746041066.db2.gz YDYBVJQURJGYAL-TWMKSMIVSA-N 1 1 345.443 0.414 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccns4)[C@@H]3C2)C1=O ZINC000978210933 746045408 /nfs/dbraw/zinc/04/54/08/746045408.db2.gz FIJHLJMNNPYGJI-FQUUOJAGSA-N 1 1 346.456 0.838 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)c1 ZINC001007037928 752057300 /nfs/dbraw/zinc/05/73/00/752057300.db2.gz TXJAYSUAASVPFV-ZDUSSCGKSA-N 1 1 343.387 0.230 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCN3C(=O)CCC3=O)C2)c1 ZINC001007037928 752057305 /nfs/dbraw/zinc/05/73/05/752057305.db2.gz TXJAYSUAASVPFV-ZDUSSCGKSA-N 1 1 343.387 0.230 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1CC ZINC001087593412 746104622 /nfs/dbraw/zinc/10/46/22/746104622.db2.gz FZSLCBMXCWOXAR-UONOGXRCSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C)o2)[C@@H]1CC ZINC001087607311 746115445 /nfs/dbraw/zinc/11/54/45/746115445.db2.gz XGHKNVXWBJLEKG-XHSDSOJGSA-N 1 1 345.447 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C)o2)[C@@H]1CC ZINC001087607311 746115446 /nfs/dbraw/zinc/11/54/46/746115446.db2.gz XGHKNVXWBJLEKG-XHSDSOJGSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)nn1 ZINC001027607269 746167849 /nfs/dbraw/zinc/16/78/49/746167849.db2.gz UVJMQCNMNAIKMD-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000978303719 746174031 /nfs/dbraw/zinc/17/40/31/746174031.db2.gz UXVZCOZKDGLOLC-PHZGNYQRSA-N 1 1 342.443 0.814 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087689712 746194890 /nfs/dbraw/zinc/19/48/90/746194890.db2.gz RCZAUWIZDDXIGG-LSDHHAIUSA-N 1 1 339.403 0.865 20 30 ECEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001001253810 746211942 /nfs/dbraw/zinc/21/19/42/746211942.db2.gz CRQWWEGPMCFHOT-AWEZNQCLSA-N 1 1 327.450 0.345 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2CC)c1 ZINC001087718929 746234190 /nfs/dbraw/zinc/23/41/90/746234190.db2.gz QVMZHGFDBYAWAX-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2CC)c1 ZINC001087718929 746234194 /nfs/dbraw/zinc/23/41/94/746234194.db2.gz QVMZHGFDBYAWAX-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001001297946 746255961 /nfs/dbraw/zinc/25/59/61/746255961.db2.gz VGOCWFHOONSAGB-INIZCTEOSA-N 1 1 346.431 0.193 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001001297946 746255966 /nfs/dbraw/zinc/25/59/66/746255966.db2.gz VGOCWFHOONSAGB-INIZCTEOSA-N 1 1 346.431 0.193 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc(OC)cc(OC)n3)[C@@H]2C1 ZINC000978372197 746258357 /nfs/dbraw/zinc/25/83/57/746258357.db2.gz UIVFKWIRCHUZBF-XYYAHUGASA-N 1 1 332.404 0.978 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027619189 746288509 /nfs/dbraw/zinc/28/85/09/746288509.db2.gz XLQMZHGWXMGKCS-NSHDSACASA-N 1 1 328.800 0.214 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027619189 746288512 /nfs/dbraw/zinc/28/85/12/746288512.db2.gz XLQMZHGWXMGKCS-NSHDSACASA-N 1 1 328.800 0.214 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1CC ZINC001087758751 746288663 /nfs/dbraw/zinc/28/86/63/746288663.db2.gz KDFPQOHOVLADDF-XPFWZQFZSA-N 1 1 334.420 0.520 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)[C@H]1CC ZINC001087778695 746318727 /nfs/dbraw/zinc/31/87/27/746318727.db2.gz NASYUUFXJXDBNP-HLLBOEOZSA-N 1 1 345.447 0.921 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)[C@H]1CC ZINC001087778726 746319716 /nfs/dbraw/zinc/31/97/16/746319716.db2.gz OJKCESSMIAPIBP-YQQAZPJKSA-N 1 1 345.447 0.921 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1=CC[N@@H+](C[C@@H](C)O)CC1 ZINC001001378343 746323888 /nfs/dbraw/zinc/32/38/88/746323888.db2.gz GBBKUBOJZUBBBG-CQSZACIVSA-N 1 1 329.400 0.836 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1 ZINC000978441990 746330302 /nfs/dbraw/zinc/33/03/02/746330302.db2.gz WNORRVMYFFDMNA-PHZGNYQRSA-N 1 1 327.384 0.092 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC000978444858 746332390 /nfs/dbraw/zinc/33/23/90/746332390.db2.gz UDKSIVKISMGOES-ZSOGYDGISA-N 1 1 342.399 0.896 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccnnc1 ZINC000978474562 746364832 /nfs/dbraw/zinc/36/48/32/746364832.db2.gz PWXVGBGYKKJBGA-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccnnc1 ZINC000978474562 746364838 /nfs/dbraw/zinc/36/48/38/746364838.db2.gz PWXVGBGYKKJBGA-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@H]32)cc1F ZINC001041986494 782551914 /nfs/dbraw/zinc/55/19/14/782551914.db2.gz RBUQRPKVJJOZIY-CZUORRHYSA-N 1 1 344.390 0.996 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@@]2(C)C1 ZINC000982386881 752087099 /nfs/dbraw/zinc/08/70/99/752087099.db2.gz UTLPFERALBNLTM-JCGIZDLHSA-N 1 1 343.431 0.722 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1CC ZINC001087818775 746411913 /nfs/dbraw/zinc/41/19/13/746411913.db2.gz MOZVTMIIMUASMR-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO C[N@@H+](CC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1)C1CCC1 ZINC001001514719 746452567 /nfs/dbraw/zinc/45/25/67/746452567.db2.gz GOVAIJCNJPQVQR-UHFFFAOYSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC(C)(F)F)C[C@]2(C)C1 ZINC001101354293 746456326 /nfs/dbraw/zinc/45/63/26/746456326.db2.gz ZGOGECOBBLCAFY-IOASZLSFSA-N 1 1 341.402 0.950 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@@H]2CCCN(C(=O)C(F)F)C2)C1=O ZINC001087853387 746504764 /nfs/dbraw/zinc/50/47/64/746504764.db2.gz MZLFHWYRLVFVMB-OLZOCXBDSA-N 1 1 345.390 0.324 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1cnc(F)cn1 ZINC001126555763 746518195 /nfs/dbraw/zinc/51/81/95/746518195.db2.gz RRXXOHAUHOTBLH-AWEZNQCLSA-N 1 1 349.410 0.282 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCOC)c1cnc(F)cn1 ZINC001126555763 746518197 /nfs/dbraw/zinc/51/81/97/746518197.db2.gz RRXXOHAUHOTBLH-AWEZNQCLSA-N 1 1 349.410 0.282 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCC(=O)NC2)c1 ZINC001038449789 746520097 /nfs/dbraw/zinc/52/00/97/746520097.db2.gz MLNZQXOQCLQMHF-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCC(=O)NC2)c1 ZINC001038449789 746520099 /nfs/dbraw/zinc/52/00/99/746520099.db2.gz MLNZQXOQCLQMHF-HOTGVXAUSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]2O)c[nH]1 ZINC001083418556 746520799 /nfs/dbraw/zinc/52/07/99/746520799.db2.gz OVAGSZJJSSCGEP-MAZHCROVSA-N 1 1 332.404 0.478 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cc[nH]n4)C[C@@H]3C2)C1=O ZINC001087894403 746586194 /nfs/dbraw/zinc/58/61/94/746586194.db2.gz QTMBGBKHQLFNRK-IJEWVQPXSA-N 1 1 343.431 0.591 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccn[nH]4)C[C@@H]3C2)C1=O ZINC001087894403 746586195 /nfs/dbraw/zinc/58/61/95/746586195.db2.gz QTMBGBKHQLFNRK-IJEWVQPXSA-N 1 1 343.431 0.591 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccn[nH]4)C[C@@H]3C2)C1=O ZINC001087894403 746586198 /nfs/dbraw/zinc/58/61/98/746586198.db2.gz QTMBGBKHQLFNRK-IJEWVQPXSA-N 1 1 343.431 0.591 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)c1 ZINC000978696937 746592699 /nfs/dbraw/zinc/59/26/99/746592699.db2.gz IONCGPFXCSBBJN-OSYLJGHBSA-N 1 1 336.399 0.299 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)c1 ZINC000978696937 746592703 /nfs/dbraw/zinc/59/27/03/746592703.db2.gz IONCGPFXCSBBJN-OSYLJGHBSA-N 1 1 336.399 0.299 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H]3CCCNC3=O)C2)nc1 ZINC001027656388 746597170 /nfs/dbraw/zinc/59/71/70/746597170.db2.gz OOXRGTIYRZKIDD-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nonc4C)C[C@H]32)c1 ZINC000978704920 746605796 /nfs/dbraw/zinc/60/57/96/746605796.db2.gz ZHIHFNSSMXSDPS-PHZGNYQRSA-N 1 1 337.383 0.862 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nonc4C)C[C@H]32)c1 ZINC000978704920 746605798 /nfs/dbraw/zinc/60/57/98/746605798.db2.gz ZHIHFNSSMXSDPS-PHZGNYQRSA-N 1 1 337.383 0.862 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)c1 ZINC000978712460 746615122 /nfs/dbraw/zinc/61/51/22/746615122.db2.gz ONRKJFQYTADDBU-YYQUZTFQSA-N 1 1 340.427 0.447 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CCNC(=O)C#CC(C)(C)C)C2)C1 ZINC001059396914 746622235 /nfs/dbraw/zinc/62/22/35/746622235.db2.gz IBXDDRRSDJSCRU-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CCNC(=O)C#CC(C)(C)C)C2)C1 ZINC001059396914 746622238 /nfs/dbraw/zinc/62/22/38/746622238.db2.gz IBXDDRRSDJSCRU-HOTGVXAUSA-N 1 1 349.475 0.721 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000978739352 746635654 /nfs/dbraw/zinc/63/56/54/746635654.db2.gz FEPARIFUXPFZHU-ILOCAZANSA-N 1 1 337.423 0.454 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059397777 746636172 /nfs/dbraw/zinc/63/61/72/746636172.db2.gz YNRWJXGDLMKGFS-HZPDHXFCSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059397777 746636177 /nfs/dbraw/zinc/63/61/77/746636177.db2.gz YNRWJXGDLMKGFS-HZPDHXFCSA-N 1 1 333.432 0.085 20 30 ECEDMO CC#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059399980 746650660 /nfs/dbraw/zinc/65/06/60/746650660.db2.gz YWUQHZRXHSMAEG-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059399980 746650664 /nfs/dbraw/zinc/65/06/64/746650664.db2.gz YWUQHZRXHSMAEG-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)C1=O ZINC001087940188 746694053 /nfs/dbraw/zinc/69/40/53/746694053.db2.gz ZSBANGWTEQOATH-IVMMDQJWSA-N 1 1 341.415 0.511 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)[C@@H]1C ZINC001088576385 752117097 /nfs/dbraw/zinc/11/70/97/752117097.db2.gz LYOMCMWXNFIOBS-WCVJEAGWSA-N 1 1 333.436 0.838 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)c3C(F)(F)F)[C@@H]2C1 ZINC000978812035 746733553 /nfs/dbraw/zinc/73/35/53/746733553.db2.gz CEKICYZEDAJKOU-OWUUHHOZSA-N 1 1 327.310 0.375 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](C[C@@H](O)Cn3cccn3)C2)c[nH]1 ZINC001007141858 752118509 /nfs/dbraw/zinc/11/85/09/752118509.db2.gz WOKASCNIXKTIHE-GOEBONIOSA-N 1 1 342.403 0.338 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)C1=O ZINC001087961666 746746199 /nfs/dbraw/zinc/74/61/99/746746199.db2.gz DSTXSVWJJHHVFV-IKGGRYGDSA-N 1 1 329.444 0.801 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ocnc4C)C[C@H]32)nn1 ZINC000978814111 746760952 /nfs/dbraw/zinc/76/09/52/746760952.db2.gz IQYCCWKFVNCWEC-ZSOGYDGISA-N 1 1 342.403 0.868 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000978840402 746767152 /nfs/dbraw/zinc/76/71/52/746767152.db2.gz HWDQHZUENVISFY-SIRPWMCASA-N 1 1 349.475 0.930 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000978836942 746783171 /nfs/dbraw/zinc/78/31/71/746783171.db2.gz FNWYWUZCUVCZKK-NXOAAHMSSA-N 1 1 346.475 0.047 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041986999 782553774 /nfs/dbraw/zinc/55/37/74/782553774.db2.gz VRHGDCIDPVDHBB-BBRMVZONSA-N 1 1 326.400 0.856 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)c3ncn[nH]3)CC2)C1=O ZINC001001953039 746836864 /nfs/dbraw/zinc/83/68/64/746836864.db2.gz QFCFDHOEMYYZDR-CYBMUJFWSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)c3nc[nH]n3)CC2)C1=O ZINC001001953039 746836872 /nfs/dbraw/zinc/83/68/72/746836872.db2.gz QFCFDHOEMYYZDR-CYBMUJFWSA-N 1 1 332.408 0.033 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]nc3-c3cnn(C)c3)[C@@H]2C1 ZINC000978947296 746936194 /nfs/dbraw/zinc/93/61/94/746936194.db2.gz SGMOUJSZBRZYOY-MKZZRHPPSA-N 1 1 338.415 0.741 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000978953301 746947399 /nfs/dbraw/zinc/94/73/99/746947399.db2.gz MRZGLAVIEAYFQJ-NRKLIOEPSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000978953301 746947404 /nfs/dbraw/zinc/94/74/04/746947404.db2.gz MRZGLAVIEAYFQJ-NRKLIOEPSA-N 1 1 347.459 0.520 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]2C1 ZINC001087992744 746952734 /nfs/dbraw/zinc/95/27/34/746952734.db2.gz JSSGMAVZQMUQJU-KFWWJZLASA-N 1 1 330.432 0.942 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007157304 752139243 /nfs/dbraw/zinc/13/92/43/752139243.db2.gz SIAXCEITKDRXJL-RTBURBONSA-N 1 1 341.455 0.949 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007157304 752139244 /nfs/dbraw/zinc/13/92/44/752139244.db2.gz SIAXCEITKDRXJL-RTBURBONSA-N 1 1 341.455 0.949 20 30 ECEDMO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001059446370 746982836 /nfs/dbraw/zinc/98/28/36/746982836.db2.gz SMNILOQCEPCLLH-QHSBEEBCSA-N 1 1 342.403 0.271 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)nc1 ZINC000978985459 747021212 /nfs/dbraw/zinc/02/12/12/747021212.db2.gz KPFKVTGSMKZWRI-MPTYRVRUSA-N 1 1 338.411 0.249 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NCC2CCN([C@H](C)C(N)=O)CC2)CC1 ZINC001002144068 747023577 /nfs/dbraw/zinc/02/35/77/747023577.db2.gz DKBYZLKXRYFXDL-CQSZACIVSA-N 1 1 334.464 0.034 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@H]32)cn1 ZINC000979020547 747049076 /nfs/dbraw/zinc/04/90/76/747049076.db2.gz RYPDNGPEKWBWBN-PHZGNYQRSA-N 1 1 337.383 0.862 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@H]32)cn1 ZINC000979020547 747049082 /nfs/dbraw/zinc/04/90/82/747049082.db2.gz RYPDNGPEKWBWBN-PHZGNYQRSA-N 1 1 337.383 0.862 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C[C@@H]2C1 ZINC001088032788 747115167 /nfs/dbraw/zinc/11/51/67/747115167.db2.gz DMBBUCZDVPVQNG-PMPSAXMXSA-N 1 1 332.448 0.581 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001059461366 747127503 /nfs/dbraw/zinc/12/75/03/747127503.db2.gz DNAUGSADCYAOTD-DNNBLBMLSA-N 1 1 343.431 0.462 20 30 ECEDMO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C#N)cn1 ZINC001059461366 747127508 /nfs/dbraw/zinc/12/75/08/747127508.db2.gz DNAUGSADCYAOTD-DNNBLBMLSA-N 1 1 343.431 0.462 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@@H]2C1 ZINC001088052295 747157340 /nfs/dbraw/zinc/15/73/40/747157340.db2.gz IMJJSGAURAHLLJ-KGLIPLIRSA-N 1 1 337.387 0.084 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@@H]2C1 ZINC001088053481 747161745 /nfs/dbraw/zinc/16/17/45/747161745.db2.gz JYAPDSVIKUZTPM-ILXRZTDVSA-N 1 1 341.402 0.366 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)C#CC1CC1)C2 ZINC001007187310 752171890 /nfs/dbraw/zinc/17/18/90/752171890.db2.gz UHGATTXCHNMSFA-FCEWJHQRSA-N 1 1 329.444 0.991 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](CC)C(N)=O)CC[C@@H]3C2)c1 ZINC001088100092 747386614 /nfs/dbraw/zinc/38/66/14/747386614.db2.gz UDFJQWWLKXJXBS-HYVNUMGLSA-N 1 1 340.427 0.721 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104641 747393820 /nfs/dbraw/zinc/39/38/20/747393820.db2.gz SENFXEYSXYLXMS-FXUDXRNXSA-N 1 1 335.448 0.766 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nnc4c3CCCC4)C[C@@H]2C1 ZINC001088109381 747402632 /nfs/dbraw/zinc/40/26/32/747402632.db2.gz BTTXEEUHMDYVJJ-CVEARBPZSA-N 1 1 341.459 0.961 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@@H]2C1 ZINC001088114590 747420183 /nfs/dbraw/zinc/42/01/83/747420183.db2.gz WBPPWAJGXSHNHJ-XHSDSOJGSA-N 1 1 344.463 0.982 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@@H]2C1 ZINC001088142012 747495794 /nfs/dbraw/zinc/49/57/94/747495794.db2.gz OCYOOTHVTAUESN-CABCVRRESA-N 1 1 346.431 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC001002572061 747521997 /nfs/dbraw/zinc/52/19/97/747521997.db2.gz SHQIQIDUEFJJLV-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC001002572061 747522002 /nfs/dbraw/zinc/52/20/02/747522002.db2.gz SHQIQIDUEFJJLV-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059499244 747536486 /nfs/dbraw/zinc/53/64/86/747536486.db2.gz KNGHKKQRVGDHRF-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059499244 747536491 /nfs/dbraw/zinc/53/64/91/747536491.db2.gz KNGHKKQRVGDHRF-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C[C@@H]([NH2+]Cc1cnon1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979295850 747559854 /nfs/dbraw/zinc/55/98/54/747559854.db2.gz SIEBBZHFVFYUBZ-QMTHXVAHSA-N 1 1 330.348 0.289 20 30 ECEDMO Cc1nonc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979297173 747563953 /nfs/dbraw/zinc/56/39/53/747563953.db2.gz UQMJCUIBYGAMIV-NHYWBVRUSA-N 1 1 344.375 0.597 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cncnc2C)C1=O ZINC001027769755 747571415 /nfs/dbraw/zinc/57/14/15/747571415.db2.gz XTQXPLZPAOUEKQ-GDBMZVCRSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cncnc2C)C1=O ZINC001027769755 747571424 /nfs/dbraw/zinc/57/14/24/747571424.db2.gz XTQXPLZPAOUEKQ-GDBMZVCRSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C)n[nH]2)C1=O ZINC001027774453 747592172 /nfs/dbraw/zinc/59/21/72/747592172.db2.gz FCSQULZZOXJPMT-ZFWWWQNUSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C)n[nH]2)C1=O ZINC001027774453 747592173 /nfs/dbraw/zinc/59/21/73/747592173.db2.gz FCSQULZZOXJPMT-ZFWWWQNUSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(OC)no3)CC2)C1=O ZINC001002643335 747607195 /nfs/dbraw/zinc/60/71/95/747607195.db2.gz UGWRYPKQMZYLQT-ZDUSSCGKSA-N 1 1 348.403 0.664 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CN=NC2=O)CC1 ZINC001002647830 747613657 /nfs/dbraw/zinc/61/36/57/747613657.db2.gz GZFBXEFMDALCID-UHFFFAOYSA-N 1 1 340.387 0.636 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979326747 747617836 /nfs/dbraw/zinc/61/78/36/747617836.db2.gz DYVYJQIQEYDWOX-DZGCQCFKSA-N 1 1 346.435 0.373 20 30 ECEDMO C[C@H]([NH2+]Cc1ncnn1CCF)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979329263 747622142 /nfs/dbraw/zinc/62/21/42/747622142.db2.gz IBYGRHBAGKPRJK-DZGCQCFKSA-N 1 1 349.410 0.367 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]3C2)cn1 ZINC001088175509 747677503 /nfs/dbraw/zinc/67/75/03/747677503.db2.gz ZVMMEKPHPOPWQX-CFVMTHIKSA-N 1 1 326.400 0.331 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)CC3)C2)C1=O ZINC001020818451 752208133 /nfs/dbraw/zinc/20/81/33/752208133.db2.gz NEHOWDFJWZOAJR-BRWVUGGUSA-N 1 1 348.491 0.742 20 30 ECEDMO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)c1 ZINC001002721101 747698578 /nfs/dbraw/zinc/69/85/78/747698578.db2.gz FRCFZNJINTVBNQ-OAHLLOKOSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)s1 ZINC001002723821 747700936 /nfs/dbraw/zinc/70/09/36/747700936.db2.gz UODWVANEBWDKDQ-CYBMUJFWSA-N 1 1 334.401 0.809 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCO3)[C@@H](O)C2)cc1 ZINC001083326773 752203765 /nfs/dbraw/zinc/20/37/65/752203765.db2.gz OXNCUFIVTXCWOM-IKGGRYGDSA-N 1 1 345.399 0.429 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCO3)[C@@H](O)C2)cc1 ZINC001083326773 752203772 /nfs/dbraw/zinc/20/37/72/752203772.db2.gz OXNCUFIVTXCWOM-IKGGRYGDSA-N 1 1 345.399 0.429 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001088201926 747733620 /nfs/dbraw/zinc/73/36/20/747733620.db2.gz BQLCRRFSGIJKJV-KSZLIROESA-N 1 1 333.476 0.758 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001088201926 747733624 /nfs/dbraw/zinc/73/36/24/747733624.db2.gz BQLCRRFSGIJKJV-KSZLIROESA-N 1 1 333.476 0.758 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985341485 747746271 /nfs/dbraw/zinc/74/62/71/747746271.db2.gz FNBXNQWIFAJLGB-UHFFFAOYSA-N 1 1 344.415 0.865 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088223183 747770004 /nfs/dbraw/zinc/77/00/04/747770004.db2.gz QKZZAIOQWFRLSX-UPJWGTAASA-N 1 1 339.823 0.572 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088223183 747770007 /nfs/dbraw/zinc/77/00/07/747770007.db2.gz QKZZAIOQWFRLSX-UPJWGTAASA-N 1 1 339.823 0.572 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 ZINC001088231288 747775365 /nfs/dbraw/zinc/77/53/65/747775365.db2.gz NPUXFOLSGATDSJ-DOTOQJQBSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001088233011 747788599 /nfs/dbraw/zinc/78/85/99/747788599.db2.gz FSAMWZFRLSMZJG-CABCVRRESA-N 1 1 337.420 0.610 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001088234345 747802919 /nfs/dbraw/zinc/80/29/19/747802919.db2.gz PEEFEEAIFBJCIA-INIZCTEOSA-N 1 1 333.436 0.794 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]CC3CC3)C2)CC1 ZINC000979457769 747879188 /nfs/dbraw/zinc/87/91/88/747879188.db2.gz MUYKXZNTWGRPBE-CRAIPNDOSA-N 1 1 333.476 0.947 20 30 ECEDMO Cn1cc(C[N@H+](C)C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC000985390770 747882168 /nfs/dbraw/zinc/88/21/68/747882168.db2.gz JNWUKLIYKYWRRW-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO Cn1cc(C[N@@H+](C)C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC000985390770 747882176 /nfs/dbraw/zinc/88/21/76/747882176.db2.gz JNWUKLIYKYWRRW-UHFFFAOYSA-N 1 1 327.392 0.751 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001027799269 747882569 /nfs/dbraw/zinc/88/25/69/747882569.db2.gz ZCPKNDXVZGSRKD-JKSUJKDBSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001027799269 747882577 /nfs/dbraw/zinc/88/25/77/747882577.db2.gz ZCPKNDXVZGSRKD-JKSUJKDBSA-N 1 1 345.447 0.884 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001027804416 747914709 /nfs/dbraw/zinc/91/47/09/747914709.db2.gz AMWFNKJQOSAOPO-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cccn2C)C1 ZINC000979492287 747928982 /nfs/dbraw/zinc/92/89/82/747928982.db2.gz ITGAWFIFLQQVMS-ZOBUZTSGSA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cccn2C)C1 ZINC000979492287 747928983 /nfs/dbraw/zinc/92/89/83/747928983.db2.gz ITGAWFIFLQQVMS-ZOBUZTSGSA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001088241874 747949893 /nfs/dbraw/zinc/94/98/93/747949893.db2.gz JIBAABPKISHGII-QGZVFWFLSA-N 1 1 330.432 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC000979523469 747958556 /nfs/dbraw/zinc/95/85/56/747958556.db2.gz RXKJTIFXRFVWHC-QEJZJMRPSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC000979523469 747958561 /nfs/dbraw/zinc/95/85/61/747958561.db2.gz RXKJTIFXRFVWHC-QEJZJMRPSA-N 1 1 329.404 0.132 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1=O ZINC000985440360 748028013 /nfs/dbraw/zinc/02/80/13/748028013.db2.gz KNPVNYWFTLCXGK-GMBSWORKSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cocn2)C1 ZINC000979575542 748066754 /nfs/dbraw/zinc/06/67/54/748066754.db2.gz ZDFWXPWVFMTPBV-YDHLFZDLSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cocn2)C1 ZINC000979575542 748066760 /nfs/dbraw/zinc/06/67/60/748066760.db2.gz ZDFWXPWVFMTPBV-YDHLFZDLSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CN(C(=O)COCc3ncnn3C)C[C@]2(C)C1 ZINC001101413476 748068369 /nfs/dbraw/zinc/06/83/69/748068369.db2.gz OMCBJYQWPXWRRC-PBHICJAKSA-N 1 1 331.420 0.135 20 30 ECEDMO CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001029690221 748077857 /nfs/dbraw/zinc/07/78/57/748077857.db2.gz FOHVXLZCBJGXST-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001003037323 748104913 /nfs/dbraw/zinc/10/49/13/748104913.db2.gz XFDHIFIRLOBVIB-OAHLLOKOSA-N 1 1 329.404 0.559 20 30 ECEDMO CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001029708406 748115206 /nfs/dbraw/zinc/11/52/06/748115206.db2.gz QIBKHBKMSPHKRZ-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000979615121 748123734 /nfs/dbraw/zinc/12/37/34/748123734.db2.gz VDLUFUNDAGMRFZ-YDHLFZDLSA-N 1 1 343.431 0.853 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)C3=CCOCC3)C2)C1=O ZINC001029714964 748130573 /nfs/dbraw/zinc/13/05/73/748130573.db2.gz KLGMHGQQPGXDEN-DOTOQJQBSA-N 1 1 347.459 0.900 20 30 ECEDMO C[N@@H+](C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@@H]1CCC(=O)NC1=O ZINC001029712157 748137657 /nfs/dbraw/zinc/13/76/57/748137657.db2.gz LKCLKCLCUCZIIU-BXUZGUMPSA-N 1 1 343.387 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2ncnn2C)CC1 ZINC000985473054 748207088 /nfs/dbraw/zinc/20/70/88/748207088.db2.gz FRNKXYOBRCYQSY-INIZCTEOSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2ncnn2C)CC1 ZINC000985473054 748207092 /nfs/dbraw/zinc/20/70/92/748207092.db2.gz FRNKXYOBRCYQSY-INIZCTEOSA-N 1 1 344.463 0.336 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000985475017 748209928 /nfs/dbraw/zinc/20/99/28/748209928.db2.gz JFRPKIHPZXTFMH-SJORKVTESA-N 1 1 346.475 0.238 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nncn2C)C1 ZINC001029758476 748272331 /nfs/dbraw/zinc/27/23/31/748272331.db2.gz ZBIRNVICCCQWGC-HOTGVXAUSA-N 1 1 344.463 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nncn2C)C1 ZINC001029758476 748272332 /nfs/dbraw/zinc/27/23/32/748272332.db2.gz ZBIRNVICCCQWGC-HOTGVXAUSA-N 1 1 344.463 0.193 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCN(C)C2=O)cn1 ZINC001098244940 752249269 /nfs/dbraw/zinc/24/92/69/752249269.db2.gz WQSHNTAZLSWXCL-WCXIOVBPSA-N 1 1 338.411 0.629 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCN(C)C2=O)cn1 ZINC001098244940 752249274 /nfs/dbraw/zinc/24/92/74/752249274.db2.gz WQSHNTAZLSWXCL-WCXIOVBPSA-N 1 1 338.411 0.629 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(CCOC)nn3)C[C@@H]2C1 ZINC000979730572 748303434 /nfs/dbraw/zinc/30/34/34/748303434.db2.gz WSFBFGNUVHKMBT-ZNMIVQPWSA-N 1 1 333.436 0.941 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000979781963 748383445 /nfs/dbraw/zinc/38/34/45/748383445.db2.gz CNUOGNKSHZATAV-IHRRRGAJSA-N 1 1 346.435 0.040 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCNC2=O)c[nH]1 ZINC001027835633 748386583 /nfs/dbraw/zinc/38/65/83/748386583.db2.gz HKTZRWSETGJKQR-AWEZNQCLSA-N 1 1 330.392 0.106 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001007298547 752266043 /nfs/dbraw/zinc/26/60/43/752266043.db2.gz BGEQZCZKQGUVMV-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3n[nH]cc3C)C2)C1=O ZINC001007298547 752266049 /nfs/dbraw/zinc/26/60/49/752266049.db2.gz BGEQZCZKQGUVMV-KGLIPLIRSA-N 1 1 331.420 0.699 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H](O)Cn2cccn2)c[nH]1 ZINC001027836776 748405839 /nfs/dbraw/zinc/40/58/39/748405839.db2.gz YCHCFTBDOFOXPZ-CVEARBPZSA-N 1 1 342.403 0.338 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(OC)no2)C1=O ZINC001027838103 748423851 /nfs/dbraw/zinc/42/38/51/748423851.db2.gz MMSZHQKHAUOUII-CHWSQXEVSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(OC)no2)C1=O ZINC001027838103 748423856 /nfs/dbraw/zinc/42/38/56/748423856.db2.gz MMSZHQKHAUOUII-CHWSQXEVSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 ZINC001075858930 748447956 /nfs/dbraw/zinc/44/79/56/748447956.db2.gz KJAXPNGLSNJYBO-UONOGXRCSA-N 1 1 327.450 0.131 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC000985549695 748455007 /nfs/dbraw/zinc/45/50/07/748455007.db2.gz DLJQANQTGPXKMD-UHFFFAOYSA-N 1 1 327.392 0.780 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)cc1 ZINC001029797860 748457209 /nfs/dbraw/zinc/45/72/09/748457209.db2.gz CJMHGRYWKYXVDX-WBVHZDCISA-N 1 1 325.412 0.950 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001003367009 748474342 /nfs/dbraw/zinc/47/43/42/748474342.db2.gz LDJMWNBLLUBRAJ-ZDUSSCGKSA-N 1 1 337.811 0.699 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001003472105 748589885 /nfs/dbraw/zinc/58/98/85/748589885.db2.gz VJWPMYLCPMUPOJ-OAHLLOKOSA-N 1 1 326.400 0.203 20 30 ECEDMO Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001059587343 748616593 /nfs/dbraw/zinc/61/65/93/748616593.db2.gz QSTVBNCJGLSOCJ-QLFBSQMISA-N 1 1 329.404 0.651 20 30 ECEDMO Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001059587343 748616595 /nfs/dbraw/zinc/61/65/95/748616595.db2.gz QSTVBNCJGLSOCJ-QLFBSQMISA-N 1 1 329.404 0.651 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)cc1F ZINC001003533112 748652227 /nfs/dbraw/zinc/65/22/27/748652227.db2.gz LOMFQUQRWLPPTQ-HNNXBMFYSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2nccc(C)n2)C1=O ZINC001027852120 748681760 /nfs/dbraw/zinc/68/17/60/748681760.db2.gz AKWXAQBAJAJFIO-LSDHHAIUSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nccc(C)n2)C1=O ZINC001027852120 748681765 /nfs/dbraw/zinc/68/17/65/748681765.db2.gz AKWXAQBAJAJFIO-LSDHHAIUSA-N 1 1 343.431 0.766 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@@H+](C)CCn3cncn3)CC2)c1 ZINC000985638332 748774403 /nfs/dbraw/zinc/77/44/03/748774403.db2.gz SGXPVEWMLARCNT-UHFFFAOYSA-N 1 1 338.415 0.891 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@H+](C)[C@H](CC)C(N)=O)CC2)c1 ZINC000985637340 748775353 /nfs/dbraw/zinc/77/53/53/748775353.db2.gz GBIVBQNRCJFPRO-MRXNPFEDSA-N 1 1 328.416 0.863 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc[nH]1 ZINC001003674536 748783668 /nfs/dbraw/zinc/78/36/68/748783668.db2.gz GAOLPNYMZZBBBN-SIXLDLHFSA-N 1 1 340.427 0.974 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc[nH]1 ZINC001003674536 748783670 /nfs/dbraw/zinc/78/36/70/748783670.db2.gz GAOLPNYMZZBBBN-SIXLDLHFSA-N 1 1 340.427 0.974 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccnn3CCOC)C[C@H]2C1 ZINC000980006222 748815522 /nfs/dbraw/zinc/81/55/22/748815522.db2.gz ZUKJBANMXAIPAB-HRCADAONSA-N 1 1 330.432 0.993 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccnnc3)C2)C1=O ZINC001029853240 748834454 /nfs/dbraw/zinc/83/44/54/748834454.db2.gz ORJFIDJZCKKHHD-GDBMZVCRSA-N 1 1 343.431 0.657 20 30 ECEDMO O=C(CC[NH+]1CCOCC1)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001059622157 748855264 /nfs/dbraw/zinc/85/52/64/748855264.db2.gz CEEHDLFKZJRQMZ-KRWDZBQOSA-N 1 1 347.459 0.477 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2[nH]cnc2C)C1 ZINC000980033131 748871495 /nfs/dbraw/zinc/87/14/95/748871495.db2.gz HHAUEOSGCWPBDU-KKUMJFAQSA-N 1 1 343.431 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2[nH]cnc2C)C1 ZINC000980033131 748871499 /nfs/dbraw/zinc/87/14/99/748871499.db2.gz HHAUEOSGCWPBDU-KKUMJFAQSA-N 1 1 343.431 0.440 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059624604 748877743 /nfs/dbraw/zinc/87/77/43/748877743.db2.gz SXHHMERRFUFYCE-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 ZINC001059624604 748877747 /nfs/dbraw/zinc/87/77/47/748877747.db2.gz SXHHMERRFUFYCE-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC([N@H+](C)Cc3cnon3)CC2)nn1 ZINC000985699309 748889747 /nfs/dbraw/zinc/88/97/47/748889747.db2.gz HSPBZOPJZFUSPO-UHFFFAOYSA-N 1 1 345.407 0.974 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC([N@@H+](C)Cc3cnon3)CC2)nn1 ZINC000985699309 748889750 /nfs/dbraw/zinc/88/97/50/748889750.db2.gz HSPBZOPJZFUSPO-UHFFFAOYSA-N 1 1 345.407 0.974 20 30 ECEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000985703035 748893072 /nfs/dbraw/zinc/89/30/72/748893072.db2.gz QQVUGWBLCUNSMQ-UHFFFAOYSA-N 1 1 334.420 0.426 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000980081837 748950466 /nfs/dbraw/zinc/95/04/66/748950466.db2.gz NTEUGXPJZYNRER-JQFCIGGWSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cnn(C)n3)C2)nn1 ZINC001029859518 748951053 /nfs/dbraw/zinc/95/10/53/748951053.db2.gz FEEWLOWVMYXXSG-CYBMUJFWSA-N 1 1 344.423 0.187 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cnn(C)n3)C2)nn1 ZINC001029859518 748951059 /nfs/dbraw/zinc/95/10/59/748951059.db2.gz FEEWLOWVMYXXSG-CYBMUJFWSA-N 1 1 344.423 0.187 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001003891611 749015961 /nfs/dbraw/zinc/01/59/61/749015961.db2.gz XHVORFAOIWZWKT-GFCCVEGCSA-N 1 1 338.371 0.615 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4nnnn4c3)C[C@H]2C1 ZINC000980144611 749062234 /nfs/dbraw/zinc/06/22/34/749062234.db2.gz PMGLNLYLDUINOC-CWRNSKLLSA-N 1 1 338.415 0.978 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4nnnn4c3)C[C@@H]2C1 ZINC000980146789 749066679 /nfs/dbraw/zinc/06/66/79/749066679.db2.gz TZNJRDVZVVBERQ-IMJJTQAJSA-N 1 1 338.415 0.978 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4nnnn4c3)C[C@H]2C1 ZINC000980146785 749066794 /nfs/dbraw/zinc/06/67/94/749066794.db2.gz TZNJRDVZVVBERQ-CWRNSKLLSA-N 1 1 338.415 0.978 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]2C1 ZINC000980150349 749072919 /nfs/dbraw/zinc/07/29/19/749072919.db2.gz BZCDLUZSLJONOR-ZNMIVQPWSA-N 1 1 342.443 0.814 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001059644295 749077378 /nfs/dbraw/zinc/07/73/78/749077378.db2.gz NQHUHGIRCGDJCC-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001059646099 749094317 /nfs/dbraw/zinc/09/43/17/749094317.db2.gz MJWPKMAWACHIMX-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C#Cc1cccc(NC(=O)CN2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001030162158 761920591 /nfs/dbraw/zinc/92/05/91/761920591.db2.gz SWQSFEMIVUTURC-KRWDZBQOSA-N 1 1 340.427 0.501 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980186961 749139376 /nfs/dbraw/zinc/13/93/76/749139376.db2.gz QELNOSZMZTVPLX-JGGQBBKZSA-N 1 1 344.390 0.899 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@H]3C2)s1 ZINC000980189133 749144242 /nfs/dbraw/zinc/14/42/42/749144242.db2.gz ZLNUCGVCLSESII-SRVKXCTJSA-N 1 1 332.429 0.822 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCCO2)[C@H](OC)C1 ZINC001211905775 749169293 /nfs/dbraw/zinc/16/92/93/749169293.db2.gz FPFSSDKSDFMNRQ-ARFHVFGLSA-N 1 1 326.437 0.964 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)cn1 ZINC000980206276 749182347 /nfs/dbraw/zinc/18/23/47/749182347.db2.gz DKFZQFYZLPUZGY-YQQAZPJKSA-N 1 1 340.427 0.639 20 30 ECEDMO CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC1 ZINC000985826023 749183534 /nfs/dbraw/zinc/18/35/34/749183534.db2.gz UGBHMLBNQVPNJS-UHFFFAOYSA-N 1 1 344.419 0.402 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001004074256 749184161 /nfs/dbraw/zinc/18/41/61/749184161.db2.gz GQSMCVQHGJONOS-UHFFFAOYSA-N 1 1 327.816 0.223 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)ccc3=O)C[C@H]2C1 ZINC000980211789 749191180 /nfs/dbraw/zinc/19/11/80/749191180.db2.gz HQTFWQGXMJMLLB-JYJNAYRXSA-N 1 1 330.432 0.954 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC000980219350 749215468 /nfs/dbraw/zinc/21/54/68/749215468.db2.gz OIXLZMAQWHVQNP-KKUMJFAQSA-N 1 1 346.431 0.168 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccncn3)C2)C1=O ZINC001029869514 749218102 /nfs/dbraw/zinc/21/81/02/749218102.db2.gz KSZHQPTZPVQYGH-GOEBONIOSA-N 1 1 343.431 0.657 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC000980228984 749224957 /nfs/dbraw/zinc/22/49/57/749224957.db2.gz GXXUAEIHJCWJJN-ZNMIVQPWSA-N 1 1 333.436 0.293 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 ZINC000980230127 749225703 /nfs/dbraw/zinc/22/57/03/749225703.db2.gz KKCYJKLOYWIYMJ-JYJNAYRXSA-N 1 1 345.447 0.130 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(=O)n(C)n3)C[C@@H]2C1 ZINC000980237527 749240474 /nfs/dbraw/zinc/24/04/74/749240474.db2.gz RGVKDHWPOHVYRK-RRFJBIMHSA-N 1 1 328.416 0.634 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C3CCOCC3)[C@H]2C)C1=O ZINC001088443725 749243401 /nfs/dbraw/zinc/24/34/01/749243401.db2.gz RIOKZQPSYYJWQW-VNQPRFMTSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C3CCOCC3)[C@H]2C)C1=O ZINC001088443725 749243407 /nfs/dbraw/zinc/24/34/07/749243407.db2.gz RIOKZQPSYYJWQW-VNQPRFMTSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC000980241493 749246866 /nfs/dbraw/zinc/24/68/66/749246866.db2.gz FSFKFLUOJSFJOZ-BFHYXJOUSA-N 1 1 341.415 0.429 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC000980258584 749266456 /nfs/dbraw/zinc/26/64/56/749266456.db2.gz ZEYNJWOMCMNDOA-YNEHKIRRSA-N 1 1 332.404 0.502 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CCN([C@@H](C)C(=O)N(C)C)CC2)CC1 ZINC001004200543 749306391 /nfs/dbraw/zinc/30/63/91/749306391.db2.gz CNUYPEHUTHNGCJ-HNNXBMFYSA-N 1 1 348.491 0.389 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001059679656 749409060 /nfs/dbraw/zinc/40/90/60/749409060.db2.gz NWSVWUFKFFEVOM-MAUKXSAKSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(=O)[nH]n3)[C@H]2C)C1=O ZINC001088456292 749451100 /nfs/dbraw/zinc/45/11/00/749451100.db2.gz JFQPQLHQHBENBE-DYEKYZERSA-N 1 1 345.403 0.162 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(=O)[nH]n3)[C@H]2C)C1=O ZINC001088456292 749451102 /nfs/dbraw/zinc/45/11/02/749451102.db2.gz JFQPQLHQHBENBE-DYEKYZERSA-N 1 1 345.403 0.162 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC000980386673 749485367 /nfs/dbraw/zinc/48/53/67/749485367.db2.gz MFTDWZJWTCQWTB-ZFWWWQNUSA-N 1 1 331.420 0.353 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001004455534 749521294 /nfs/dbraw/zinc/52/12/94/749521294.db2.gz KMEJRQVAMHDETC-NHYWBVRUSA-N 1 1 329.404 0.272 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000986097457 749530889 /nfs/dbraw/zinc/53/08/89/749530889.db2.gz BDGVMQKZAFDEJN-YPMHNXCESA-N 1 1 342.407 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 ZINC001004474997 749544412 /nfs/dbraw/zinc/54/44/12/749544412.db2.gz QKLGYTXKMACIBD-INIZCTEOSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001004476498 749546860 /nfs/dbraw/zinc/54/68/60/749546860.db2.gz YGHSEUHVYRKFIH-OAHLLOKOSA-N 1 1 333.436 0.471 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)CC[C@@H]3C2)C1 ZINC000986129215 749593866 /nfs/dbraw/zinc/59/38/66/749593866.db2.gz LSTIJHMBWPPLMQ-ZACQAIPSSA-N 1 1 329.444 0.658 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](CC)NC(C)=O)C2)nn1 ZINC001098741307 749608282 /nfs/dbraw/zinc/60/82/82/749608282.db2.gz YONZPTNTYNYCPP-HUUCEWRRSA-N 1 1 334.424 0.242 20 30 ECEDMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000980480238 749642075 /nfs/dbraw/zinc/64/20/75/749642075.db2.gz INOCEUKGVVDKEB-JQWIXIFHSA-N 1 1 328.380 0.050 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001004575201 749648268 /nfs/dbraw/zinc/64/82/68/749648268.db2.gz AUGUZSMMCXYGSK-LSDHHAIUSA-N 1 1 346.431 0.311 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nccc(C)n1 ZINC001027944332 749678984 /nfs/dbraw/zinc/67/89/84/749678984.db2.gz VKFHMTHPWXAZNQ-SJORKVTESA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nccc(C)n1 ZINC001027944332 749678989 /nfs/dbraw/zinc/67/89/89/749678989.db2.gz VKFHMTHPWXAZNQ-SJORKVTESA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001004618570 749695039 /nfs/dbraw/zinc/69/50/39/749695039.db2.gz GAXMRJRPCNYZCN-ROUUACIJSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 ZINC001004620982 749698288 /nfs/dbraw/zinc/69/82/88/749698288.db2.gz TVDMAKYAQNPAAA-HNNXBMFYSA-N 1 1 330.432 0.674 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000980550613 749737754 /nfs/dbraw/zinc/73/77/54/749737754.db2.gz SARUGZZXOJSTRG-JURCDPSOSA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C)C1 ZINC001058845122 750083276 /nfs/dbraw/zinc/08/32/76/750083276.db2.gz FSQXLAGUNRAKEY-OAHLLOKOSA-N 1 1 337.464 0.315 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001058848495 750158855 /nfs/dbraw/zinc/15/88/55/750158855.db2.gz GIISDXCGACYLJC-LSDHHAIUSA-N 1 1 337.464 0.478 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cccc(=O)[nH]3)[C@H]2C)C1=O ZINC001088508665 750217583 /nfs/dbraw/zinc/21/75/83/750217583.db2.gz LMSKBXPXVONCTD-IPYPFGDCSA-N 1 1 344.415 0.767 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cccc(=O)[nH]3)[C@H]2C)C1=O ZINC001088508665 750217588 /nfs/dbraw/zinc/21/75/88/750217588.db2.gz LMSKBXPXVONCTD-IPYPFGDCSA-N 1 1 344.415 0.767 20 30 ECEDMO Cc1cc(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058857517 750354362 /nfs/dbraw/zinc/35/43/62/750354362.db2.gz RWAKQNSGJNSEQA-GOEBONIOSA-N 1 1 329.404 0.027 20 30 ECEDMO Cc1cc(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058857517 750354369 /nfs/dbraw/zinc/35/43/69/750354369.db2.gz RWAKQNSGJNSEQA-GOEBONIOSA-N 1 1 329.404 0.027 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC2(CCNC(=O)CN3CCCC3)CC2)C1=O ZINC001168162298 750395363 /nfs/dbraw/zinc/39/53/63/750395363.db2.gz IEDWVSHDJOAUMT-INIZCTEOSA-N 1 1 348.491 0.745 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccn(C)c3)CC2)C1=O ZINC000980969638 750400206 /nfs/dbraw/zinc/40/02/06/750400206.db2.gz URGPRHSOGPFBRT-MRXNPFEDSA-N 1 1 330.432 0.960 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccn(C)c3)CC2)C1=O ZINC000980969638 750400212 /nfs/dbraw/zinc/40/02/12/750400212.db2.gz URGPRHSOGPFBRT-MRXNPFEDSA-N 1 1 330.432 0.960 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001075885423 750437669 /nfs/dbraw/zinc/43/76/69/750437669.db2.gz VYCAWZPBAPFFLL-OFQRWUPVSA-N 1 1 330.432 0.955 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001075885423 750437671 /nfs/dbraw/zinc/43/76/71/750437671.db2.gz VYCAWZPBAPFFLL-OFQRWUPVSA-N 1 1 330.432 0.955 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001075885449 750439991 /nfs/dbraw/zinc/43/99/91/750439991.db2.gz XGQGTQFEOADPFV-OFQRWUPVSA-N 1 1 328.416 0.709 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cn(C(C)C)nn3)C2)nn1 ZINC001105352719 750469718 /nfs/dbraw/zinc/46/97/18/750469718.db2.gz ZSIGDOADFFXDAX-UHFFFAOYSA-N 1 1 344.423 0.813 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)ccc1F ZINC001028071358 750482837 /nfs/dbraw/zinc/48/28/37/750482837.db2.gz BMHQQABKPPXVBF-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)ccc1F ZINC001028071358 750482841 /nfs/dbraw/zinc/48/28/41/750482841.db2.gz BMHQQABKPPXVBF-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO N#CCSCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111599909 762046358 /nfs/dbraw/zinc/04/63/58/762046358.db2.gz IEHBLYRSUVRWNR-ZFWWWQNUSA-N 1 1 327.450 0.223 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncccn3)[C@@H]2C)nn1 ZINC000987137421 750533711 /nfs/dbraw/zinc/53/37/11/750533711.db2.gz YUZPQTGFNZQOBU-STQMWFEESA-N 1 1 327.392 0.647 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cccn2C)C1 ZINC001005734614 750570288 /nfs/dbraw/zinc/57/02/88/750570288.db2.gz XNYSAZRXSIFVIV-PBHICJAKSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cccn2C)C1 ZINC001005734614 750570291 /nfs/dbraw/zinc/57/02/91/750570291.db2.gz XNYSAZRXSIFVIV-PBHICJAKSA-N 1 1 342.443 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3cnc(C)o3)CC2)C1=O ZINC000981319528 750575740 /nfs/dbraw/zinc/57/57/40/750575740.db2.gz MJWWJWADTMAASJ-MRXNPFEDSA-N 1 1 346.431 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3cnc(C)o3)CC2)C1=O ZINC000981319528 750575742 /nfs/dbraw/zinc/57/57/42/750575742.db2.gz MJWWJWADTMAASJ-MRXNPFEDSA-N 1 1 346.431 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ncoc2C)C1 ZINC001005771396 750615779 /nfs/dbraw/zinc/61/57/79/750615779.db2.gz PTKNKXXCMNDXBK-DOMZBBRYSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ncoc2C)C1 ZINC001005771396 750615782 /nfs/dbraw/zinc/61/57/82/750615782.db2.gz PTKNKXXCMNDXBK-DOMZBBRYSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN([C@H](C)c2nnc(C)[nH]2)CC1 ZINC000981365517 750628237 /nfs/dbraw/zinc/62/82/37/750628237.db2.gz PCOSMFXEUGPOOG-ZBFHGGJFSA-N 1 1 344.463 0.806 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN([C@H](C)c2nnc(C)[nH]2)CC1 ZINC000981365517 750628239 /nfs/dbraw/zinc/62/82/39/750628239.db2.gz PCOSMFXEUGPOOG-ZBFHGGJFSA-N 1 1 344.463 0.806 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088549861 750633681 /nfs/dbraw/zinc/63/36/81/750633681.db2.gz GOAICLXBDKIZBZ-JIMOISOXSA-N 1 1 334.401 0.807 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088549861 750633685 /nfs/dbraw/zinc/63/36/85/750633685.db2.gz GOAICLXBDKIZBZ-JIMOISOXSA-N 1 1 334.401 0.807 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001005801494 750652150 /nfs/dbraw/zinc/65/21/50/750652150.db2.gz AGHOIVCZHUZRKG-NHYWBVRUSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1=O ZINC000981397429 750661658 /nfs/dbraw/zinc/66/16/58/750661658.db2.gz CJJFHNCCENZGRT-AWEZNQCLSA-N 1 1 345.403 0.117 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cn[nH]c(=O)c3)CC2)C1=O ZINC000981397429 750661662 /nfs/dbraw/zinc/66/16/62/750661662.db2.gz CJJFHNCCENZGRT-AWEZNQCLSA-N 1 1 345.403 0.117 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001059789929 750670976 /nfs/dbraw/zinc/67/09/76/750670976.db2.gz FHBINMSLZIZBIH-JKSUJKDBSA-N 1 1 337.464 0.720 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001005862897 750742283 /nfs/dbraw/zinc/74/22/83/750742283.db2.gz OSXJEGXPGOPXOQ-STQMWFEESA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001005929231 750812815 /nfs/dbraw/zinc/81/28/15/750812815.db2.gz UPNMIALPPVEHOU-ABAIWWIYSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001005929170 750813044 /nfs/dbraw/zinc/81/30/44/750813044.db2.gz ODLVFDUJXWPWGH-XHDPSFHLSA-N 1 1 329.404 0.557 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC([C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001005938516 750821029 /nfs/dbraw/zinc/82/10/29/750821029.db2.gz LXCAKSGJIHBTKZ-NSHDSACASA-N 1 1 340.387 0.668 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001006020494 750931719 /nfs/dbraw/zinc/93/17/19/750931719.db2.gz SMSWDQWPNGHXBK-CVEARBPZSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3cnn(C)c3)C2)nn1 ZINC001098640987 750941560 /nfs/dbraw/zinc/94/15/60/750941560.db2.gz OYNNMELNLPLGMF-OAHLLOKOSA-N 1 1 329.408 0.303 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC000981672009 750952063 /nfs/dbraw/zinc/95/20/63/750952063.db2.gz LVCRAKTVUFSCSA-KGLIPLIRSA-N 1 1 339.461 0.505 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC000981672009 750952069 /nfs/dbraw/zinc/95/20/69/750952069.db2.gz LVCRAKTVUFSCSA-KGLIPLIRSA-N 1 1 339.461 0.505 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000981694056 750980158 /nfs/dbraw/zinc/98/01/58/750980158.db2.gz YJKOPYRXCHWSRH-AWEZNQCLSA-N 1 1 329.391 0.510 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000981694056 750980162 /nfs/dbraw/zinc/98/01/62/750980162.db2.gz YJKOPYRXCHWSRH-AWEZNQCLSA-N 1 1 329.391 0.510 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)CCn3ccnc3)CC2)C1=O ZINC000981716595 750999256 /nfs/dbraw/zinc/99/92/56/750999256.db2.gz FYFGQIPYSVUOCO-MRXNPFEDSA-N 1 1 345.447 0.594 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)CCn3ccnc3)CC2)C1=O ZINC000981716595 750999260 /nfs/dbraw/zinc/99/92/60/750999260.db2.gz FYFGQIPYSVUOCO-MRXNPFEDSA-N 1 1 345.447 0.594 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001028118094 751005884 /nfs/dbraw/zinc/00/58/84/751005884.db2.gz WPIUDCAFCXGZQQ-IAGOWNOFSA-N 1 1 348.491 0.696 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N(C)C)C2 ZINC000981776069 751086518 /nfs/dbraw/zinc/08/65/18/751086518.db2.gz FNRXYYOBQMTVJW-CVEARBPZSA-N 1 1 349.475 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCN(CC)C2=O)c1 ZINC001028128682 751153482 /nfs/dbraw/zinc/15/34/82/751153482.db2.gz JQCOREOFKVXLEG-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCN(CC)C2=O)c1 ZINC001028128682 751153485 /nfs/dbraw/zinc/15/34/85/751153485.db2.gz JQCOREOFKVXLEG-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001028140735 751196610 /nfs/dbraw/zinc/19/66/10/751196610.db2.gz WNAGQRHXSCEKQR-ZNMIVQPWSA-N 1 1 344.390 0.899 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001028140735 751196611 /nfs/dbraw/zinc/19/66/11/751196611.db2.gz WNAGQRHXSCEKQR-ZNMIVQPWSA-N 1 1 344.390 0.899 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000981853529 751201329 /nfs/dbraw/zinc/20/13/29/751201329.db2.gz OTZMIOASKOLOAS-AWEZNQCLSA-N 1 1 343.431 0.494 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC001028143136 751204377 /nfs/dbraw/zinc/20/43/77/751204377.db2.gz ZCBZTXXJLJHNCU-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC001028143136 751204380 /nfs/dbraw/zinc/20/43/80/751204380.db2.gz ZCBZTXXJLJHNCU-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCCO2)C1 ZINC001006315453 751235701 /nfs/dbraw/zinc/23/57/01/751235701.db2.gz OWVSFRIYJWRJDF-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCCO2)C1 ZINC001006315453 751235705 /nfs/dbraw/zinc/23/57/05/751235705.db2.gz OWVSFRIYJWRJDF-VNQPRFMTSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2nonc2C)C1 ZINC001006315533 751236470 /nfs/dbraw/zinc/23/64/70/751236470.db2.gz PDFBRQOKMUWYMC-FZMZJTMJSA-N 1 1 345.403 0.052 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2nonc2C)C1 ZINC001006315533 751236475 /nfs/dbraw/zinc/23/64/75/751236475.db2.gz PDFBRQOKMUWYMC-FZMZJTMJSA-N 1 1 345.403 0.052 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ncccn2)C1 ZINC001006318400 751240388 /nfs/dbraw/zinc/24/03/88/751240388.db2.gz IGJQBAJQDZVKQZ-HIFRSBDPSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ncccn2)C1 ZINC001006318400 751240394 /nfs/dbraw/zinc/24/03/94/751240394.db2.gz IGJQBAJQDZVKQZ-HIFRSBDPSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccnn2C)C1 ZINC001006318990 751240945 /nfs/dbraw/zinc/24/09/45/751240945.db2.gz KNDLGNNYWCJVPH-HIFRSBDPSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccnn2C)C1 ZINC001006318990 751240947 /nfs/dbraw/zinc/24/09/47/751240947.db2.gz KNDLGNNYWCJVPH-HIFRSBDPSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(C)n2)C1 ZINC001006320904 751243293 /nfs/dbraw/zinc/24/32/93/751243293.db2.gz PVAPBZWVZOBIOW-WBMJQRKESA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(C)n2)C1 ZINC001006320904 751243295 /nfs/dbraw/zinc/24/32/95/751243295.db2.gz PVAPBZWVZOBIOW-WBMJQRKESA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2n[nH]cc2C)C1 ZINC001006323628 751245680 /nfs/dbraw/zinc/24/56/80/751245680.db2.gz YHRVSZYPZGTJME-HIFRSBDPSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2n[nH]cc2C)C1 ZINC001006323628 751245681 /nfs/dbraw/zinc/24/56/81/751245681.db2.gz YHRVSZYPZGTJME-HIFRSBDPSA-N 1 1 343.431 0.392 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC000981897508 751251409 /nfs/dbraw/zinc/25/14/09/751251409.db2.gz QFUWXZHZHQFTKE-CVEARBPZSA-N 1 1 347.459 0.747 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)N(C)C)CC2)c1 ZINC000981923707 751275000 /nfs/dbraw/zinc/27/50/00/751275000.db2.gz XLJOTWSGEPNAJI-CQSZACIVSA-N 1 1 328.416 0.688 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@H](C)C(=O)N(C)C)CC2)c1 ZINC000981923707 751275005 /nfs/dbraw/zinc/27/50/05/751275005.db2.gz XLJOTWSGEPNAJI-CQSZACIVSA-N 1 1 328.416 0.688 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001006359579 751288201 /nfs/dbraw/zinc/28/82/01/751288201.db2.gz CCIMCHXWYKQKDG-HNNXBMFYSA-N 1 1 343.855 0.909 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000987871338 751301012 /nfs/dbraw/zinc/30/10/12/751301012.db2.gz GENNOMJMTVMHTJ-CJNGLKHVSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)CN2C(=O)CCC2=O)CC1 ZINC001006385447 751322938 /nfs/dbraw/zinc/32/29/38/751322938.db2.gz WDUXUNRGKZDZAY-UHFFFAOYSA-N 1 1 327.812 0.811 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007339207 752306497 /nfs/dbraw/zinc/30/64/97/752306497.db2.gz XVCCQXLJTYYQEP-ZIAGYGMSSA-N 1 1 331.420 0.919 20 30 ECEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](NC(=O)Cc3nnc[nH]3)C2)c1 ZINC001020904066 752315706 /nfs/dbraw/zinc/31/57/06/752315706.db2.gz KYJMHQLEZSJZQA-JOCQHMNTSA-N 1 1 328.351 0.795 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001028313291 752355235 /nfs/dbraw/zinc/35/52/35/752355235.db2.gz GBUMDYVNWUSIHG-UKRRQHHQSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001028313291 752355243 /nfs/dbraw/zinc/35/52/43/752355243.db2.gz GBUMDYVNWUSIHG-UKRRQHHQSA-N 1 1 331.420 0.401 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(COC)no3)C2)nc1 ZINC001020946276 752373296 /nfs/dbraw/zinc/37/32/96/752373296.db2.gz CXBWTWIDZRKBJS-JOCQHMNTSA-N 1 1 341.371 0.643 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H](OCC)C2CC2)C[C@H]1OC ZINC001212032390 752430559 /nfs/dbraw/zinc/43/05/59/752430559.db2.gz YIGHRTIYRFEGEV-BZUAXINKSA-N 1 1 326.437 0.820 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212045190 752438750 /nfs/dbraw/zinc/43/87/50/752438750.db2.gz ISUCKKLDXBZZLY-RRFJBIMHSA-N 1 1 334.424 0.423 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCC(=O)NCCC)C2)nn1 ZINC001105364852 752441309 /nfs/dbraw/zinc/44/13/09/752441309.db2.gz ABKFLWILGGMFID-UHFFFAOYSA-N 1 1 348.451 0.634 20 30 ECEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)[C@H](OC)C1 ZINC001213216914 752449527 /nfs/dbraw/zinc/44/95/27/752449527.db2.gz ADRCTELDBOHOTL-MCIONIFRSA-N 1 1 347.481 0.225 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnnn2CC)C1 ZINC001007519085 752474263 /nfs/dbraw/zinc/47/42/63/752474263.db2.gz IQJSYXOHGPQPPD-RDJZCZTQSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnnn2CC)C1 ZINC001007519085 752474274 /nfs/dbraw/zinc/47/42/74/752474274.db2.gz IQJSYXOHGPQPPD-RDJZCZTQSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ncccn2)C1 ZINC001007519730 752477210 /nfs/dbraw/zinc/47/72/10/752477210.db2.gz UYGYGLUNEHFLKI-HOTGVXAUSA-N 1 1 327.432 0.655 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ncccn2)C1 ZINC001007519730 752477214 /nfs/dbraw/zinc/47/72/14/752477214.db2.gz UYGYGLUNEHFLKI-HOTGVXAUSA-N 1 1 327.432 0.655 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3nccn3)C2)nn1 ZINC001098678270 752506672 /nfs/dbraw/zinc/50/66/72/752506672.db2.gz GATBTPJKEKECOO-CQSZACIVSA-N 1 1 330.396 0.009 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001007575885 752564122 /nfs/dbraw/zinc/56/41/22/752564122.db2.gz NTAPGYAQRJYMKQ-OCCSQVGLSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001007575885 752564125 /nfs/dbraw/zinc/56/41/25/752564125.db2.gz NTAPGYAQRJYMKQ-OCCSQVGLSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cccn3C)C2)C1=O ZINC001028413339 752586565 /nfs/dbraw/zinc/58/65/65/752586565.db2.gz AZAKUSQWKJNMDO-GOEBONIOSA-N 1 1 330.432 0.864 20 30 ECEDMO O=C(NC[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCC(=O)N1 ZINC001028449285 752679848 /nfs/dbraw/zinc/67/98/48/752679848.db2.gz ZLDYMCMKWFQGPZ-NVXWUHKLSA-N 1 1 343.402 0.894 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001007634825 752680774 /nfs/dbraw/zinc/68/07/74/752680774.db2.gz DYJRYVYDJSVDTQ-XQQFMLRXSA-N 1 1 334.338 0.937 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001007634825 752680779 /nfs/dbraw/zinc/68/07/79/752680779.db2.gz DYJRYVYDJSVDTQ-XQQFMLRXSA-N 1 1 334.338 0.937 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cn(C)nc3C)C2)C1=O ZINC001028454383 752699395 /nfs/dbraw/zinc/69/93/95/752699395.db2.gz VAKPWSFFBGEAAK-GDBMZVCRSA-N 1 1 345.447 0.567 20 30 ECEDMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 ZINC001212081677 752715041 /nfs/dbraw/zinc/71/50/41/752715041.db2.gz RMNRZXIALWZFEZ-QLFBSQMISA-N 1 1 347.419 0.359 20 30 ECEDMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 ZINC001212081677 752715044 /nfs/dbraw/zinc/71/50/44/752715044.db2.gz RMNRZXIALWZFEZ-QLFBSQMISA-N 1 1 347.419 0.359 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)CC)CCO2 ZINC001007672360 752758263 /nfs/dbraw/zinc/75/82/63/752758263.db2.gz CAZHVTRYRIPERA-MAUKXSAKSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)CC)CCO2 ZINC001007672360 752758276 /nfs/dbraw/zinc/75/82/76/752758276.db2.gz CAZHVTRYRIPERA-MAUKXSAKSA-N 1 1 333.432 0.324 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028470856 752772071 /nfs/dbraw/zinc/77/20/71/752772071.db2.gz NTZDXIZOCONOCU-CQSZACIVSA-N 1 1 341.419 0.847 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001007679820 752774254 /nfs/dbraw/zinc/77/42/54/752774254.db2.gz OSOKULLEBJYDDL-LBPRGKRZSA-N 1 1 327.406 0.697 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001028490611 752830191 /nfs/dbraw/zinc/83/01/91/752830191.db2.gz MTWPPGCXXZRIAN-ZWKOTPCHSA-N 1 1 342.443 0.827 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c[nH]1 ZINC001028491538 752834773 /nfs/dbraw/zinc/83/47/73/752834773.db2.gz AJHOVPIRBINIIZ-WFASDCNBSA-N 1 1 339.403 0.717 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@]3(C)C[N@@H+](CC(N)=O)C[C@]3(C)C2)c1 ZINC000982542348 752842896 /nfs/dbraw/zinc/84/28/96/752842896.db2.gz VDCNOBWJJRWFPX-HDICACEKSA-N 1 1 326.400 0.332 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@]3(C)C[N@H+](CC(N)=O)C[C@]3(C)C2)c1 ZINC000982542348 752842902 /nfs/dbraw/zinc/84/29/02/752842902.db2.gz VDCNOBWJJRWFPX-HDICACEKSA-N 1 1 326.400 0.332 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001007719720 752856061 /nfs/dbraw/zinc/85/60/61/752856061.db2.gz UYGWLKKZUBLQLU-KSSFIOAISA-N 1 1 348.447 0.460 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)no1 ZINC001058999428 752878249 /nfs/dbraw/zinc/87/82/49/752878249.db2.gz XFFBCSXYFFTJAO-NSHDSACASA-N 1 1 341.375 0.724 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)C3=CCOCC3)C2)C1=O ZINC001028497586 752892299 /nfs/dbraw/zinc/89/22/99/752892299.db2.gz AIUOPNSDTPNWKF-GOEBONIOSA-N 1 1 333.432 0.558 20 30 ECEDMO CS[C@@H](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101202044 752971983 /nfs/dbraw/zinc/97/19/83/752971983.db2.gz OXSGXZVNTSYADW-ZENOOKHLSA-N 1 1 338.477 0.548 20 30 ECEDMO CS[C@@H](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101202044 752971986 /nfs/dbraw/zinc/97/19/86/752971986.db2.gz OXSGXZVNTSYADW-ZENOOKHLSA-N 1 1 338.477 0.548 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)s1 ZINC001028519929 753046779 /nfs/dbraw/zinc/04/67/79/753046779.db2.gz WGKPQJILPMSAQG-MFKMUULPSA-N 1 1 334.401 0.666 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(C)nn3)C2)C1=O ZINC001028534721 753083204 /nfs/dbraw/zinc/08/32/04/753083204.db2.gz FEVOCRGXKZGTEN-HOCLYGCPSA-N 1 1 343.431 0.624 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001059941336 753093602 /nfs/dbraw/zinc/09/36/02/753093602.db2.gz KNVADEXSXPWKQC-CVEARBPZSA-N 1 1 346.431 0.585 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001028536733 753096657 /nfs/dbraw/zinc/09/66/57/753096657.db2.gz WTDRVFKQRSRNKC-UONOGXRCSA-N 1 1 331.420 0.777 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@]2(C)C1 ZINC000982668666 753250635 /nfs/dbraw/zinc/25/06/35/753250635.db2.gz ZKKUJTKZVJTNIO-HDICACEKSA-N 1 1 344.415 0.542 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC001126385807 753344663 /nfs/dbraw/zinc/34/46/63/753344663.db2.gz YQWUHXFIIPJVRP-QGZVFWFLSA-N 1 1 329.404 0.800 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)C1 ZINC001008169760 753410294 /nfs/dbraw/zinc/41/02/94/753410294.db2.gz ISVFTDVWQZRFCI-WFASDCNBSA-N 1 1 343.431 0.805 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000989181679 753437794 /nfs/dbraw/zinc/43/77/94/753437794.db2.gz MOCSPRVAUBGASD-JJXSEGSLSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000982733358 753438434 /nfs/dbraw/zinc/43/84/34/753438434.db2.gz BCTZLDVQSXXOBC-CVEARBPZSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000982733358 753438438 /nfs/dbraw/zinc/43/84/38/753438438.db2.gz BCTZLDVQSXXOBC-CVEARBPZSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@@]2(C)C1 ZINC000982773032 753520660 /nfs/dbraw/zinc/52/06/60/753520660.db2.gz RAUNKEDKTKXPOV-YTQUADARSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cnn(CCOC)c3)C[C@@]2(C)C1 ZINC000982773708 753522090 /nfs/dbraw/zinc/52/20/90/753522090.db2.gz KGDRRQCMEMDZIS-HDICACEKSA-N 1 1 330.432 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCO2)CC1(C)C ZINC001008274237 753535937 /nfs/dbraw/zinc/53/59/37/753535937.db2.gz AYQUUUDCPIHVGG-HRCADAONSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCO2)CC1(C)C ZINC001008274237 753535939 /nfs/dbraw/zinc/53/59/39/753535939.db2.gz AYQUUUDCPIHVGG-HRCADAONSA-N 1 1 347.459 0.616 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000982785268 753555853 /nfs/dbraw/zinc/55/58/53/753555853.db2.gz ZGLADANOQIRBIM-GDBMZVCRSA-N 1 1 340.427 0.593 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O)n1cccn1 ZINC001083350469 753641950 /nfs/dbraw/zinc/64/19/50/753641950.db2.gz QMEASJCHAXALDF-XYPHTWIQSA-N 1 1 339.399 0.677 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O)n1cccn1 ZINC001083350469 753641953 /nfs/dbraw/zinc/64/19/53/753641953.db2.gz QMEASJCHAXALDF-XYPHTWIQSA-N 1 1 339.399 0.677 20 30 ECEDMO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@@H]1CNC(=O)N1 ZINC001008369395 753665813 /nfs/dbraw/zinc/66/58/13/753665813.db2.gz CJTTZOVPBMTNCS-HOTGVXAUSA-N 1 1 326.400 0.300 20 30 ECEDMO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@@H]1CNC(=O)N1 ZINC001008369395 753665820 /nfs/dbraw/zinc/66/58/20/753665820.db2.gz CJTTZOVPBMTNCS-HOTGVXAUSA-N 1 1 326.400 0.300 20 30 ECEDMO C=C(C)CCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372443 753677235 /nfs/dbraw/zinc/67/72/35/753677235.db2.gz HFPDFQDDBGLYNK-CQSZACIVSA-N 1 1 332.452 0.669 20 30 ECEDMO C=C(C)CCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372443 753677239 /nfs/dbraw/zinc/67/72/39/753677239.db2.gz HFPDFQDDBGLYNK-CQSZACIVSA-N 1 1 332.452 0.669 20 30 ECEDMO C#CCNCc1cn([C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098682991 753687692 /nfs/dbraw/zinc/68/76/92/753687692.db2.gz MNIVXYHERIHQTI-DLBZAZTESA-N 1 1 344.463 0.649 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001008470700 753774550 /nfs/dbraw/zinc/77/45/50/753774550.db2.gz VXANYRAZXUMKFQ-HZPDHXFCSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001008470700 753774558 /nfs/dbraw/zinc/77/45/58/753774558.db2.gz VXANYRAZXUMKFQ-HZPDHXFCSA-N 1 1 326.400 0.536 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3ccn[nH]3)CCO2)cc1 ZINC001051509083 762244285 /nfs/dbraw/zinc/24/42/85/762244285.db2.gz KAXRGYWFLOIPDU-QGZVFWFLSA-N 1 1 339.399 0.841 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000989412630 753869342 /nfs/dbraw/zinc/86/93/42/753869342.db2.gz RMYULEXDQPAHQA-UHFFFAOYSA-N 1 1 336.436 0.817 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 ZINC001008552413 753906257 /nfs/dbraw/zinc/90/62/57/753906257.db2.gz BSIQQOZBKNLMJZ-XHSDSOJGSA-N 1 1 326.400 0.760 20 30 ECEDMO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)Cc1cnc[nH]1 ZINC001008653194 753994669 /nfs/dbraw/zinc/99/46/69/753994669.db2.gz XOCZQSIDNHVBSG-CQSZACIVSA-N 1 1 340.387 0.819 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001008711990 754036685 /nfs/dbraw/zinc/03/66/85/754036685.db2.gz VHUFPGGXVRTKMD-HZPDHXFCSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3nccc3C)C2)C1=O ZINC001008711990 754036690 /nfs/dbraw/zinc/03/66/90/754036690.db2.gz VHUFPGGXVRTKMD-HZPDHXFCSA-N 1 1 345.447 0.559 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557330 754112779 /nfs/dbraw/zinc/11/27/79/754112779.db2.gz IALOIYPRMYVYQR-OAHLLOKOSA-N 1 1 327.450 0.016 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557330 754112784 /nfs/dbraw/zinc/11/27/84/754112784.db2.gz IALOIYPRMYVYQR-OAHLLOKOSA-N 1 1 327.450 0.016 20 30 ECEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557575 754113897 /nfs/dbraw/zinc/11/38/97/754113897.db2.gz NDIVTUYAEKMWAH-MRXNPFEDSA-N 1 1 343.493 0.959 20 30 ECEDMO C[N@@H+](CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1)C1CCC1 ZINC000982897629 754125677 /nfs/dbraw/zinc/12/56/77/754125677.db2.gz ODAIUFASYHKTIA-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2nccs2)C1 ZINC000982921252 754201142 /nfs/dbraw/zinc/20/11/42/754201142.db2.gz HVQOGCDQWPBWEG-KBPBESRZSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2nccs2)C1 ZINC000982921252 754201146 /nfs/dbraw/zinc/20/11/46/754201146.db2.gz HVQOGCDQWPBWEG-KBPBESRZSA-N 1 1 346.456 0.819 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000982992998 754376742 /nfs/dbraw/zinc/37/67/42/754376742.db2.gz IKDBDZUMTRALOU-XHSDSOJGSA-N 1 1 346.431 0.747 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3[nH]cnc3C)CC2)C1=O ZINC000989808599 754482223 /nfs/dbraw/zinc/48/22/23/754482223.db2.gz OMYSJWMSJJFWHL-CQSZACIVSA-N 1 1 331.420 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3[nH]cnc3C)CC2)C1=O ZINC000989808599 754482227 /nfs/dbraw/zinc/48/22/27/754482227.db2.gz OMYSJWMSJJFWHL-CQSZACIVSA-N 1 1 331.420 0.653 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001009115635 754548483 /nfs/dbraw/zinc/54/84/83/754548483.db2.gz FKLCZDXYLASUNQ-JONQDZQNSA-N 1 1 349.475 0.740 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001009115635 754548489 /nfs/dbraw/zinc/54/84/89/754548489.db2.gz FKLCZDXYLASUNQ-JONQDZQNSA-N 1 1 349.475 0.740 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001009124893 754556237 /nfs/dbraw/zinc/55/62/37/754556237.db2.gz SVPXBOCGJSVWDL-AWEZNQCLSA-N 1 1 333.436 0.538 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001105872892 762317426 /nfs/dbraw/zinc/31/74/26/762317426.db2.gz DQPSJVZVCFOTQZ-ZIAGYGMSSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C(C)(C)F)C[C@H]21 ZINC001009190919 754633858 /nfs/dbraw/zinc/63/38/58/754633858.db2.gz MPOZZFQOWJHOOC-XQLPTFJDSA-N 1 1 335.423 0.653 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C(C)(C)F)C[C@H]21 ZINC001009190919 754633863 /nfs/dbraw/zinc/63/38/63/754633863.db2.gz MPOZZFQOWJHOOC-XQLPTFJDSA-N 1 1 335.423 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C3(C)CC3)C[C@H]21 ZINC001009192298 754636150 /nfs/dbraw/zinc/63/61/50/754636150.db2.gz QIROCNRRUYEMNL-JONQDZQNSA-N 1 1 329.444 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C3(C)CC3)C[C@H]21 ZINC001009192298 754636155 /nfs/dbraw/zinc/63/61/55/754636155.db2.gz QIROCNRRUYEMNL-JONQDZQNSA-N 1 1 329.444 0.705 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3ncccc3C#N)C2)C1 ZINC001060007462 754701823 /nfs/dbraw/zinc/70/18/23/754701823.db2.gz NAQSXWAGVASVPP-ZBFHGGJFSA-N 1 1 343.431 0.934 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](CNc3ncccc3C#N)C2)C1 ZINC001060007462 754701829 /nfs/dbraw/zinc/70/18/29/754701829.db2.gz NAQSXWAGVASVPP-ZBFHGGJFSA-N 1 1 343.431 0.934 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC001009269799 754726598 /nfs/dbraw/zinc/72/65/98/754726598.db2.gz PSHZSJDJNBPJHA-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC001009269799 754726599 /nfs/dbraw/zinc/72/65/99/754726599.db2.gz PSHZSJDJNBPJHA-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)s1 ZINC001051554933 762329949 /nfs/dbraw/zinc/32/99/49/762329949.db2.gz JRSAYFCCOKXRPO-LBPRGKRZSA-N 1 1 346.416 0.677 20 30 ECEDMO CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ccn[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105611513 754749951 /nfs/dbraw/zinc/74/99/51/754749951.db2.gz SCZGWQWMMDGAOZ-RWQQGDIJSA-N 1 1 344.459 0.942 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC000983164255 754753920 /nfs/dbraw/zinc/75/39/20/754753920.db2.gz JFWNHSSWNGTPBM-GJZGRUSLSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC000983164255 754753921 /nfs/dbraw/zinc/75/39/21/754753921.db2.gz JFWNHSSWNGTPBM-GJZGRUSLSA-N 1 1 341.415 0.153 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H]2CCCNC2=O)CC3)c1 ZINC000990159436 754784780 /nfs/dbraw/zinc/78/47/80/754784780.db2.gz DLQOPGYJNFOSAP-RKVPGOIHSA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)c1 ZINC000990161284 754786306 /nfs/dbraw/zinc/78/63/06/754786306.db2.gz MJUQKXPPYGVMKY-QAPCUYQASA-N 1 1 341.415 0.892 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)c1 ZINC000990161284 754786310 /nfs/dbraw/zinc/78/63/10/754786310.db2.gz MJUQKXPPYGVMKY-QAPCUYQASA-N 1 1 341.415 0.892 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001028712750 754800110 /nfs/dbraw/zinc/80/01/10/754800110.db2.gz YQAWLYHIMRZULO-HUUCEWRRSA-N 1 1 330.432 0.999 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001009358463 754801819 /nfs/dbraw/zinc/80/18/19/754801819.db2.gz OLZAWCPTFAXLCQ-LBPRGKRZSA-N 1 1 325.372 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001009358463 754801821 /nfs/dbraw/zinc/80/18/21/754801821.db2.gz OLZAWCPTFAXLCQ-LBPRGKRZSA-N 1 1 325.372 0.948 20 30 ECEDMO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)no1 ZINC001051558508 762337308 /nfs/dbraw/zinc/33/73/08/762337308.db2.gz NIPRZYDNZDXVPO-AWEZNQCLSA-N 1 1 329.360 0.814 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001028725175 754861351 /nfs/dbraw/zinc/86/13/51/754861351.db2.gz VMMARQNYOSERJQ-LBPRGKRZSA-N 1 1 330.396 0.322 20 30 ECEDMO Cc1conc1C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC001051562573 762344235 /nfs/dbraw/zinc/34/42/35/762344235.db2.gz IUPKGYGJQJIHHT-AWEZNQCLSA-N 1 1 329.360 0.814 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028735207 754915893 /nfs/dbraw/zinc/91/58/93/754915893.db2.gz IOBQGRJATCBUSA-MLGOLLRUSA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028735207 754915898 /nfs/dbraw/zinc/91/58/98/754915898.db2.gz IOBQGRJATCBUSA-MLGOLLRUSA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3nncs3)C2)c[nH]1 ZINC001051563217 762345814 /nfs/dbraw/zinc/34/58/14/762345814.db2.gz PZVIMRRWXWYYPD-GFCCVEGCSA-N 1 1 332.389 0.369 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H]2CCNC2=O)CC3)[nH]1 ZINC000990279194 754936350 /nfs/dbraw/zinc/93/63/50/754936350.db2.gz YLNSQHFWDVWEFF-VBQJREDUSA-N 1 1 327.388 0.502 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)NC1=O ZINC001028740689 754944976 /nfs/dbraw/zinc/94/49/76/754944976.db2.gz RVIOAYRMUOATHA-RISCZKNCSA-N 1 1 347.444 0.581 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001028751799 754974251 /nfs/dbraw/zinc/97/42/51/754974251.db2.gz BFMIYLINDSVLBL-ARKGTOAJSA-N 1 1 333.432 0.104 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2scnc2C)C1 ZINC000990311266 754979306 /nfs/dbraw/zinc/97/93/06/754979306.db2.gz YONLTMUMUWFHIM-ZDUSSCGKSA-N 1 1 332.429 0.490 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2scnc2C)C1 ZINC000990311266 754979308 /nfs/dbraw/zinc/97/93/08/754979308.db2.gz YONLTMUMUWFHIM-ZDUSSCGKSA-N 1 1 332.429 0.490 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cnc(C)n3C)C2)C1=O ZINC001028762403 755015581 /nfs/dbraw/zinc/01/55/81/755015581.db2.gz LJNSYISDQFLXHK-LSDHHAIUSA-N 1 1 345.447 0.567 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn(CCF)c3)C2)nn1 ZINC001098688722 755040543 /nfs/dbraw/zinc/04/05/43/755040543.db2.gz WPTCLSRYCNBPQM-OAHLLOKOSA-N 1 1 347.398 0.807 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)ccc1F ZINC001028772911 755057235 /nfs/dbraw/zinc/05/72/35/755057235.db2.gz HOPKWQIKKSKQFT-WFASDCNBSA-N 1 1 345.378 0.317 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000983302665 755105117 /nfs/dbraw/zinc/10/51/17/755105117.db2.gz LDWIRXVZRNNSQJ-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001075703717 755137031 /nfs/dbraw/zinc/13/70/31/755137031.db2.gz MUFRCTTWASWQML-MQIPJXDCSA-N 1 1 341.415 0.700 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001075703717 755137033 /nfs/dbraw/zinc/13/70/33/755137033.db2.gz MUFRCTTWASWQML-MQIPJXDCSA-N 1 1 341.415 0.700 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC001028792324 755137847 /nfs/dbraw/zinc/13/78/47/755137847.db2.gz HNGUKEHSGSMSGG-DZGCQCFKSA-N 1 1 328.416 0.591 20 30 ECEDMO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001060035433 755177715 /nfs/dbraw/zinc/17/77/15/755177715.db2.gz GSELQOOEEOEKDA-HNNXBMFYSA-N 1 1 325.453 0.886 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)s1 ZINC001028807679 755192767 /nfs/dbraw/zinc/19/27/67/755192767.db2.gz PKHIZRKCOATIJH-GDLCADMTSA-N 1 1 332.429 0.679 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@]2(C)C1 ZINC001101256080 755223404 /nfs/dbraw/zinc/22/34/04/755223404.db2.gz DNEBDXQJGJVGIP-ZBFHGGJFSA-N 1 1 343.493 0.672 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@H]1C ZINC001088722541 755261876 /nfs/dbraw/zinc/26/18/76/755261876.db2.gz BKTPNQGJDOVGQO-CJNGLKHVSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cn3cccn3)on2)C1 ZINC001028919216 755476538 /nfs/dbraw/zinc/47/65/38/755476538.db2.gz STCWNDZRZYLGFM-AWEZNQCLSA-N 1 1 327.388 0.994 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001028919538 755480626 /nfs/dbraw/zinc/48/06/26/755480626.db2.gz ZYIAOPAQDMISKX-ZIAGYGMSSA-N 1 1 346.431 0.833 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1 ZINC001075964678 755491340 /nfs/dbraw/zinc/49/13/40/755491340.db2.gz FDDUUIFWCVTVFQ-LSDHHAIUSA-N 1 1 326.462 0.920 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncn3cc(Cl)ccc23)[C@@H](O)C1 ZINC001083473336 755591567 /nfs/dbraw/zinc/59/15/67/755591567.db2.gz WDDOMTKMXFHOCC-OCCSQVGLSA-N 1 1 332.791 0.786 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncn3cc(Cl)ccc23)[C@@H](O)C1 ZINC001083473336 755591571 /nfs/dbraw/zinc/59/15/71/755591571.db2.gz WDDOMTKMXFHOCC-OCCSQVGLSA-N 1 1 332.791 0.786 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)[C@@H](O)C1 ZINC001083477520 755607869 /nfs/dbraw/zinc/60/78/69/755607869.db2.gz RUQCPDNFYUFQCX-ZACQAIPSSA-N 1 1 347.463 0.918 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088793331 755707846 /nfs/dbraw/zinc/70/78/46/755707846.db2.gz CRNXRVSRBMIDME-WQVCFCJDSA-N 1 1 326.400 0.773 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)nn1 ZINC001098657378 755709650 /nfs/dbraw/zinc/70/96/50/755709650.db2.gz VHWSYYRIBNVVIS-AWEZNQCLSA-N 1 1 328.376 0.742 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)n3C)[C@H]2C)C1=O ZINC001088795139 755715011 /nfs/dbraw/zinc/71/50/11/755715011.db2.gz PAURABJJELWBBS-AGIUHOORSA-N 1 1 347.419 0.105 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)n3C)[C@H]2C)C1=O ZINC001088795139 755715014 /nfs/dbraw/zinc/71/50/14/755715014.db2.gz PAURABJJELWBBS-AGIUHOORSA-N 1 1 347.419 0.105 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001076003043 755802442 /nfs/dbraw/zinc/80/24/42/755802442.db2.gz PPELBAQZTOTZJO-UONOGXRCSA-N 1 1 332.404 0.448 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CN(C)C(C)=O)CC1 ZINC001105673976 755807279 /nfs/dbraw/zinc/80/72/79/755807279.db2.gz RDQSUFJPSHOFNI-HDICACEKSA-N 1 1 348.491 0.790 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@H]12 ZINC000990761572 755844507 /nfs/dbraw/zinc/84/45/07/755844507.db2.gz JDTWDOIBELXTIF-LRDDRELGSA-N 1 1 332.408 0.066 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2snnc2C)CC1 ZINC001010276561 755926027 /nfs/dbraw/zinc/92/60/27/755926027.db2.gz FIDMLAKNZPXXEV-ZDUSSCGKSA-N 1 1 347.444 0.229 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2snnc2C)CC1 ZINC001010276561 755926033 /nfs/dbraw/zinc/92/60/33/755926033.db2.gz FIDMLAKNZPXXEV-ZDUSSCGKSA-N 1 1 347.444 0.229 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001076007801 755951363 /nfs/dbraw/zinc/95/13/63/755951363.db2.gz PDUADSGNPKWLBJ-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001076007801 755951367 /nfs/dbraw/zinc/95/13/67/755951367.db2.gz PDUADSGNPKWLBJ-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088828692 755960334 /nfs/dbraw/zinc/96/03/34/755960334.db2.gz RAAUIGPRDUILET-JIMOISOXSA-N 1 1 333.417 0.380 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088828692 755960337 /nfs/dbraw/zinc/96/03/37/755960337.db2.gz RAAUIGPRDUILET-JIMOISOXSA-N 1 1 333.417 0.380 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@@H]1O ZINC001083535951 755975976 /nfs/dbraw/zinc/97/59/76/755975976.db2.gz WBKDVIOBDAVBAC-SQNIBIBYSA-N 1 1 345.487 0.826 20 30 ECEDMO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001076071434 756056965 /nfs/dbraw/zinc/05/69/65/756056965.db2.gz ROXIRPJXDJKNJQ-QWHCGFSZSA-N 1 1 331.420 0.853 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1C#N ZINC001010380766 756063282 /nfs/dbraw/zinc/06/32/82/756063282.db2.gz FXIGHPOAWWWQLH-LSDHHAIUSA-N 1 1 342.399 0.536 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1C#N ZINC001010380766 756063286 /nfs/dbraw/zinc/06/32/86/756063286.db2.gz FXIGHPOAWWWQLH-LSDHHAIUSA-N 1 1 342.399 0.536 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1 ZINC001076087510 756067294 /nfs/dbraw/zinc/06/72/94/756067294.db2.gz WMUCCDHMHTUHAZ-XJKSGUPXSA-N 1 1 339.399 0.501 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001010397935 756081735 /nfs/dbraw/zinc/08/17/35/756081735.db2.gz NKDGOHIJDKMMAS-DZGCQCFKSA-N 1 1 332.404 0.503 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001010397935 756081739 /nfs/dbraw/zinc/08/17/39/756081739.db2.gz NKDGOHIJDKMMAS-DZGCQCFKSA-N 1 1 332.404 0.503 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010467877 756159739 /nfs/dbraw/zinc/15/97/39/756159739.db2.gz DPZSSVPJHFVRTQ-HIFRSBDPSA-N 1 1 327.388 0.477 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001010467877 756159742 /nfs/dbraw/zinc/15/97/42/756159742.db2.gz DPZSSVPJHFVRTQ-HIFRSBDPSA-N 1 1 327.388 0.477 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001060103735 756167334 /nfs/dbraw/zinc/16/73/34/756167334.db2.gz GSQALZXTFDLQNR-HUUCEWRRSA-N 1 1 342.447 0.905 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1N(C(=O)[C@H](C)C#N)CC2 ZINC001014287883 762448321 /nfs/dbraw/zinc/44/83/21/762448321.db2.gz ZEFDGMGLUYDFKX-MRRJBJDNSA-N 1 1 329.404 0.991 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cc1 ZINC001010548305 756228571 /nfs/dbraw/zinc/22/85/71/756228571.db2.gz XJUXYHSPQNSXRJ-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H]2C1 ZINC001076246894 756262905 /nfs/dbraw/zinc/26/29/05/756262905.db2.gz OYDSHSMYLXRRQD-RFQIPJPRSA-N 1 1 325.840 0.996 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H]2C1 ZINC001076246894 756262910 /nfs/dbraw/zinc/26/29/10/756262910.db2.gz OYDSHSMYLXRRQD-RFQIPJPRSA-N 1 1 325.840 0.996 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)[nH]1 ZINC001010658313 756360837 /nfs/dbraw/zinc/36/08/37/756360837.db2.gz RMJHYGHMZUCQAL-TZMCWYRMSA-N 1 1 329.404 0.607 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)c[nH]1 ZINC001010694129 756407790 /nfs/dbraw/zinc/40/77/90/756407790.db2.gz BJGICIBNVPQOES-OCCSQVGLSA-N 1 1 329.404 0.607 20 30 ECEDMO CC(C)Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051612571 762469032 /nfs/dbraw/zinc/46/90/32/762469032.db2.gz RVUQEIWDNVGXFI-INIZCTEOSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001010768993 756501011 /nfs/dbraw/zinc/50/10/11/756501011.db2.gz WDZAQXPXHOGORK-LSDHHAIUSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001010768993 756501015 /nfs/dbraw/zinc/50/10/15/756501015.db2.gz WDZAQXPXHOGORK-LSDHHAIUSA-N 1 1 329.404 0.376 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1C#N ZINC001010841005 756589981 /nfs/dbraw/zinc/58/99/81/756589981.db2.gz MDDADXUROAXBPM-KBPBESRZSA-N 1 1 344.371 0.366 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1C#N ZINC001010841005 756589985 /nfs/dbraw/zinc/58/99/85/756589985.db2.gz MDDADXUROAXBPM-KBPBESRZSA-N 1 1 344.371 0.366 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010920916 756671148 /nfs/dbraw/zinc/67/11/48/756671148.db2.gz NUXWWLVZRKRFGM-HNNXBMFYSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001010920982 756671166 /nfs/dbraw/zinc/67/11/66/756671166.db2.gz PPYOXMRKOXIZFX-ZDUSSCGKSA-N 1 1 329.404 0.513 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC[N@H+]1C ZINC001011027147 756789171 /nfs/dbraw/zinc/78/91/71/756789171.db2.gz VHCNVDWPGAISCA-IUODEOHRSA-N 1 1 329.404 0.511 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011027878 756789793 /nfs/dbraw/zinc/78/97/93/756789793.db2.gz GOFNPFVKPPUUPP-WFASDCNBSA-N 1 1 329.404 0.368 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)nc2)C1 ZINC001060130094 756815546 /nfs/dbraw/zinc/81/55/46/756815546.db2.gz ZZCRUAUEAHKGLG-NVXWUHKLSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ccc(C#N)nc2)C1 ZINC001060130094 756815553 /nfs/dbraw/zinc/81/55/53/756815553.db2.gz ZZCRUAUEAHKGLG-NVXWUHKLSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nccc(C)n2)CC1 ZINC001011066212 756867416 /nfs/dbraw/zinc/86/74/16/756867416.db2.gz LURSTLZNSQUTRT-HNNXBMFYSA-N 1 1 341.415 0.167 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nccc(C)n2)CC1 ZINC001011066212 756867424 /nfs/dbraw/zinc/86/74/24/756867424.db2.gz LURSTLZNSQUTRT-HNNXBMFYSA-N 1 1 341.415 0.167 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)c[nH]1 ZINC000990930799 756880045 /nfs/dbraw/zinc/88/00/45/756880045.db2.gz FKLZYEKRMJDOMU-HOTGVXAUSA-N 1 1 341.415 0.844 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)cc1 ZINC001076716499 756911460 /nfs/dbraw/zinc/91/14/60/756911460.db2.gz OXNCUFIVTXCWOM-ZACQAIPSSA-N 1 1 345.399 0.429 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)cc1 ZINC001076716499 756911464 /nfs/dbraw/zinc/91/14/64/756911464.db2.gz OXNCUFIVTXCWOM-ZACQAIPSSA-N 1 1 345.399 0.429 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001011098026 756923570 /nfs/dbraw/zinc/92/35/70/756923570.db2.gz LCVIAAJDXJAABG-STQMWFEESA-N 1 1 325.359 0.410 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001011098026 756923571 /nfs/dbraw/zinc/92/35/71/756923571.db2.gz LCVIAAJDXJAABG-STQMWFEESA-N 1 1 325.359 0.410 20 30 ECEDMO O=C(C#CC1CC1)N1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001011109052 756938576 /nfs/dbraw/zinc/93/85/76/756938576.db2.gz LKUOBYBHIVHCLV-UHFFFAOYSA-N 1 1 349.394 0.965 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)on3)nn2)C1 ZINC001107145896 757034988 /nfs/dbraw/zinc/03/49/88/757034988.db2.gz NLIFNNICXRRWMH-UHFFFAOYSA-N 1 1 330.392 0.866 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)CC4(O)CCC4)C[C@H]3C2)C1=O ZINC001048811784 757071812 /nfs/dbraw/zinc/07/18/12/757071812.db2.gz MMICNJJACNKVHO-OWCLPIDISA-N 1 1 347.459 0.469 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)n3cncn3)nn2)C1 ZINC001107159127 757132137 /nfs/dbraw/zinc/13/21/37/757132137.db2.gz KOJPSYUVWXJSOJ-LBPRGKRZSA-N 1 1 330.396 0.180 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001048832685 757137034 /nfs/dbraw/zinc/13/70/34/757137034.db2.gz SLBDKHDGHJKSHT-GJZGRUSLSA-N 1 1 337.464 0.408 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4ccn(C)n4)on3)C[C@H]2C1 ZINC001048841089 757150115 /nfs/dbraw/zinc/15/01/15/757150115.db2.gz HNVOCJYSDDZYJQ-BETUJISGSA-N 1 1 325.372 0.712 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@H]2C1 ZINC001048848919 757174195 /nfs/dbraw/zinc/17/41/95/757174195.db2.gz YELZLWOYXHHVAD-RWMBFGLXSA-N 1 1 339.823 0.667 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001048874145 757252010 /nfs/dbraw/zinc/25/20/10/757252010.db2.gz SXTORSVOPDTKQM-GJZGRUSLSA-N 1 1 348.447 0.824 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)Cn3nnc(-c4ccco4)n3)C[C@H]2C1 ZINC001048912985 757383507 /nfs/dbraw/zinc/38/35/07/757383507.db2.gz SWPKBONAPPWBKK-OKILXGFUSA-N 1 1 342.403 0.899 20 30 ECEDMO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)nc1 ZINC001021440212 757448276 /nfs/dbraw/zinc/44/82/76/757448276.db2.gz DJIILWLQJANYGL-JZIBPQBNSA-N 1 1 326.400 0.662 20 30 ECEDMO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001048941177 757475211 /nfs/dbraw/zinc/47/52/11/757475211.db2.gz LCFGEEKFVWKATK-GJZGRUSLSA-N 1 1 334.420 0.578 20 30 ECEDMO C#CCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)CCC1 ZINC001048950323 757494766 /nfs/dbraw/zinc/49/47/66/757494766.db2.gz XLGQNDAWYNDETN-JYJNAYRXSA-N 1 1 347.459 0.162 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C[C@H]2C1 ZINC001048955267 757506543 /nfs/dbraw/zinc/50/65/43/757506543.db2.gz XYUDYIGTAOZJDD-OAGGEKHMSA-N 1 1 327.432 0.562 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)nn1 ZINC000996391397 757525181 /nfs/dbraw/zinc/52/51/81/757525181.db2.gz XUVUVIJHGJEACI-CYBMUJFWSA-N 1 1 331.380 0.488 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@H]2C1 ZINC001048972001 757556476 /nfs/dbraw/zinc/55/64/76/757556476.db2.gz NZPYTWVYHRAVET-GASCZTMLSA-N 1 1 330.432 0.977 20 30 ECEDMO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001076907169 757563777 /nfs/dbraw/zinc/56/37/77/757563777.db2.gz DDRFMZBMHIZWNZ-IAGOWNOFSA-N 1 1 340.383 0.870 20 30 ECEDMO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001076907169 757563783 /nfs/dbraw/zinc/56/37/83/757563783.db2.gz DDRFMZBMHIZWNZ-IAGOWNOFSA-N 1 1 340.383 0.870 20 30 ECEDMO Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001076907648 757565047 /nfs/dbraw/zinc/56/50/47/757565047.db2.gz WYBBPOHSRQTAFK-HUUCEWRRSA-N 1 1 345.428 0.669 20 30 ECEDMO Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001076907648 757565053 /nfs/dbraw/zinc/56/50/53/757565053.db2.gz WYBBPOHSRQTAFK-HUUCEWRRSA-N 1 1 345.428 0.669 20 30 ECEDMO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048976623 757577343 /nfs/dbraw/zinc/57/73/43/757577343.db2.gz CLCULMMTEJJYIY-GJZGRUSLSA-N 1 1 339.480 0.959 20 30 ECEDMO O=C(C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1)NC1CC1 ZINC001021581136 757636305 /nfs/dbraw/zinc/63/63/05/757636305.db2.gz MAKFBCZWYVUKGD-DOTOQJQBSA-N 1 1 329.444 0.991 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001049003966 757666012 /nfs/dbraw/zinc/66/60/12/757666012.db2.gz XEYAWMRJBQUJHK-HOTGVXAUSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021608033 757681066 /nfs/dbraw/zinc/68/10/66/757681066.db2.gz ZFISHMXYTMCTQI-JKSUJKDBSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021617494 757690096 /nfs/dbraw/zinc/69/00/96/757690096.db2.gz VJWMYXMPQOXQPC-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)C1 ZINC001107210481 757692800 /nfs/dbraw/zinc/69/28/00/757692800.db2.gz KMOOWBLXYGSWOX-RDFMZFSFSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)C1 ZINC001107210481 757692805 /nfs/dbraw/zinc/69/28/05/757692805.db2.gz KMOOWBLXYGSWOX-RDFMZFSFSA-N 1 1 330.392 0.153 20 30 ECEDMO C=CCCN1CC(n2cc(CNC(=O)C[N@@H+]3CC[C@H](C)C3)nn2)C1 ZINC001107210883 757697114 /nfs/dbraw/zinc/69/71/14/757697114.db2.gz HIHVJBAKBWZXDV-AWEZNQCLSA-N 1 1 332.452 0.669 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)C1 ZINC001107210982 757698004 /nfs/dbraw/zinc/69/80/04/757698004.db2.gz QYLSDESOLQDKTG-NQHOJNORSA-N 1 1 330.392 0.153 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)C1 ZINC001107210982 757698011 /nfs/dbraw/zinc/69/80/11/757698011.db2.gz QYLSDESOLQDKTG-NQHOJNORSA-N 1 1 330.392 0.153 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021631804 757713760 /nfs/dbraw/zinc/71/37/60/757713760.db2.gz ASNAIRAFGFVRGV-CVEARBPZSA-N 1 1 345.447 0.308 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C)c(=O)cn2)C1 ZINC001021636479 757719705 /nfs/dbraw/zinc/71/97/05/757719705.db2.gz QGGZSIFQLMTCBO-GOEBONIOSA-N 1 1 328.416 0.730 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]3C2)s1 ZINC001049022831 757720946 /nfs/dbraw/zinc/72/09/46/757720946.db2.gz UIHSFSRHKJNBRP-TXEJJXNPSA-N 1 1 344.440 0.775 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cn3ccc(C)n3)nn2)C1 ZINC001107212231 757745895 /nfs/dbraw/zinc/74/58/95/757745895.db2.gz VITKWPXLYIQHGA-UHFFFAOYSA-N 1 1 329.408 0.532 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)CC[C@H]32)c1 ZINC001021666974 757761667 /nfs/dbraw/zinc/76/16/67/757761667.db2.gz DUPOINUXPXZWDW-GOEBONIOSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)CC[C@H]32)c1 ZINC001021666974 757761676 /nfs/dbraw/zinc/76/16/76/757761676.db2.gz DUPOINUXPXZWDW-GOEBONIOSA-N 1 1 326.400 0.475 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C[C@H]2C1 ZINC001049057739 757809731 /nfs/dbraw/zinc/80/97/31/757809731.db2.gz RFXYPWNXPUTUKA-OKILXGFUSA-N 1 1 328.416 0.160 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021712353 757846920 /nfs/dbraw/zinc/84/69/20/757846920.db2.gz IWJKBTORPMXYFD-CABCVRRESA-N 1 1 348.447 0.817 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)CC[C@@H]32)nc1 ZINC001021718592 757858404 /nfs/dbraw/zinc/85/84/04/757858404.db2.gz ZRRBCHDTGHAQKO-HOCLYGCPSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)CC[C@@H]32)nc1 ZINC001021718592 757858413 /nfs/dbraw/zinc/85/84/13/757858413.db2.gz ZRRBCHDTGHAQKO-HOCLYGCPSA-N 1 1 326.400 0.475 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021724397 757865014 /nfs/dbraw/zinc/86/50/14/757865014.db2.gz LLWKIXCBYGZVPF-GJZGRUSLSA-N 1 1 333.436 0.389 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(=O)n(C)n2)C1 ZINC001021728597 757869399 /nfs/dbraw/zinc/86/93/99/757869399.db2.gz UWGQOLGIQXXWCZ-HOCLYGCPSA-N 1 1 328.416 0.730 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001021730380 757874247 /nfs/dbraw/zinc/87/42/47/757874247.db2.gz NDGFQCXOYQBFOA-GJZGRUSLSA-N 1 1 348.447 0.769 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001049085140 757919414 /nfs/dbraw/zinc/91/94/14/757919414.db2.gz PAHSYUQDIQETIK-BPUTZDHNSA-N 1 1 348.447 0.824 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001077016619 757943523 /nfs/dbraw/zinc/94/35/23/757943523.db2.gz VIARAZCURIDSGB-NCXUSEDFSA-N 1 1 342.439 0.991 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001077016619 757943526 /nfs/dbraw/zinc/94/35/26/757943526.db2.gz VIARAZCURIDSGB-NCXUSEDFSA-N 1 1 342.439 0.991 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn3cc(Cl)ccc23)C1 ZINC001077025912 757979205 /nfs/dbraw/zinc/97/92/05/757979205.db2.gz WDDOMTKMXFHOCC-TZMCWYRMSA-N 1 1 332.791 0.786 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn3cc(Cl)ccc23)C1 ZINC001077025912 757979210 /nfs/dbraw/zinc/97/92/10/757979210.db2.gz WDDOMTKMXFHOCC-TZMCWYRMSA-N 1 1 332.791 0.786 20 30 ECEDMO C=CCCOCC(=O)NCc1cn(C2C[NH+](CCCF)C2)nn1 ZINC001107241082 758043434 /nfs/dbraw/zinc/04/34/34/758043434.db2.gz LZNQUWKNFQLAMI-UHFFFAOYSA-N 1 1 325.388 0.703 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001077064560 758073787 /nfs/dbraw/zinc/07/37/87/758073787.db2.gz OQDSIJOCHCRUMY-HUUCEWRRSA-N 1 1 326.352 0.591 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001077064560 758073800 /nfs/dbraw/zinc/07/38/00/758073800.db2.gz OQDSIJOCHCRUMY-HUUCEWRRSA-N 1 1 326.352 0.591 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]2C1 ZINC001049134879 758083745 /nfs/dbraw/zinc/08/37/45/758083745.db2.gz PABQESXIEUXPLB-IYBDPMFKSA-N 1 1 328.416 0.274 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001021976973 758121280 /nfs/dbraw/zinc/12/12/80/758121280.db2.gz MZWBVDHJBYTDCB-BETUJISGSA-N 1 1 342.407 0.724 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc4c3COCC4)C2)[nH]1 ZINC001021981252 758125870 /nfs/dbraw/zinc/12/58/70/758125870.db2.gz VGVRTOMKKHABFL-TXEJJXNPSA-N 1 1 341.371 0.998 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001051654673 762603445 /nfs/dbraw/zinc/60/34/45/762603445.db2.gz QQMDZZJXRJQBPO-AWEZNQCLSA-N 1 1 344.419 0.731 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccc[nH]3)CCC[C@@H]12 ZINC001107273786 758160986 /nfs/dbraw/zinc/16/09/86/758160986.db2.gz AUCGEUILQRWGLZ-CRAIPNDOSA-N 1 1 328.416 0.739 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC001011626264 758162095 /nfs/dbraw/zinc/16/20/95/758162095.db2.gz RIYTVDMSRGZFAF-TZMCWYRMSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001022018168 758168803 /nfs/dbraw/zinc/16/88/03/758168803.db2.gz XXXOTQSTIFVAIT-QKPAOTATSA-N 1 1 349.475 0.977 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001022018168 758168808 /nfs/dbraw/zinc/16/88/08/758168808.db2.gz XXXOTQSTIFVAIT-QKPAOTATSA-N 1 1 349.475 0.977 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCCO3)CCC[C@@H]12 ZINC001107300240 758201339 /nfs/dbraw/zinc/20/13/39/758201339.db2.gz QZYCZZIZQIFGJE-HDMKZQKVSA-N 1 1 348.447 0.556 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H]2CN(C(=O)CN3CCCC3)CC2(C)C)C1=O ZINC000996608121 758205847 /nfs/dbraw/zinc/20/58/47/758205847.db2.gz BOTCPJRMTBTSLE-HOTGVXAUSA-N 1 1 348.491 0.696 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nonc4C)C[C@@H]3C2)nc1 ZINC001049177789 758231621 /nfs/dbraw/zinc/23/16/21/758231621.db2.gz OHUGKCCNOXATSB-GASCZTMLSA-N 1 1 337.383 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nonc4C)C[C@@H]3C2)nc1 ZINC001049177789 758231628 /nfs/dbraw/zinc/23/16/28/758231628.db2.gz OHUGKCCNOXATSB-GASCZTMLSA-N 1 1 337.383 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(C)no4)C[C@@H]3C2)cn1 ZINC001049177712 758231789 /nfs/dbraw/zinc/23/17/89/758231789.db2.gz JXELDEFKTJKZDK-GASCZTMLSA-N 1 1 337.383 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(C)no4)C[C@@H]3C2)cn1 ZINC001049177712 758231795 /nfs/dbraw/zinc/23/17/95/758231795.db2.gz JXELDEFKTJKZDK-GASCZTMLSA-N 1 1 337.383 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)nc1 ZINC001049177457 758232717 /nfs/dbraw/zinc/23/27/17/758232717.db2.gz BVLPVQJHTGIORS-HLLBOEOZSA-N 1 1 338.411 0.345 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049189178 758253514 /nfs/dbraw/zinc/25/35/14/758253514.db2.gz LBQOTNOXLWNABW-IJEWVQPXSA-N 1 1 341.477 0.425 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cccc(C(=O)NC)n3)C[C@H]2C1 ZINC001049195098 758273986 /nfs/dbraw/zinc/27/39/86/758273986.db2.gz WTMSSGGCBSLIDU-OKILXGFUSA-N 1 1 326.400 0.468 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(OC)no1 ZINC001077124253 758283255 /nfs/dbraw/zinc/28/32/55/758283255.db2.gz PDOPRQXYEYSZAK-STQMWFEESA-N 1 1 348.403 0.405 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(OC)no1 ZINC001077124253 758283262 /nfs/dbraw/zinc/28/32/62/758283262.db2.gz PDOPRQXYEYSZAK-STQMWFEESA-N 1 1 348.403 0.405 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC001077124748 758286668 /nfs/dbraw/zinc/28/66/68/758286668.db2.gz DVCKSBJMTJSDCK-XUWVNRHRSA-N 1 1 335.448 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC001077124748 758286676 /nfs/dbraw/zinc/28/66/76/758286676.db2.gz DVCKSBJMTJSDCK-XUWVNRHRSA-N 1 1 335.448 0.663 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccns1 ZINC001077125192 758288057 /nfs/dbraw/zinc/28/80/57/758288057.db2.gz OYCCGSBCMAOMMT-STQMWFEESA-N 1 1 334.445 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccns1 ZINC001077125192 758288065 /nfs/dbraw/zinc/28/80/65/758288065.db2.gz OYCCGSBCMAOMMT-STQMWFEESA-N 1 1 334.445 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ncccn1 ZINC001077125379 758290337 /nfs/dbraw/zinc/29/03/37/758290337.db2.gz UCYHNLDZYYFWAE-KBPBESRZSA-N 1 1 329.404 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ncccn1 ZINC001077125379 758290348 /nfs/dbraw/zinc/29/03/48/758290348.db2.gz UCYHNLDZYYFWAE-KBPBESRZSA-N 1 1 329.404 0.199 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001077138834 758296055 /nfs/dbraw/zinc/29/60/55/758296055.db2.gz PIAKIZOCKSWQSP-NVXWUHKLSA-N 1 1 343.431 0.425 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC001049205560 758300820 /nfs/dbraw/zinc/30/08/20/758300820.db2.gz RRHXOGCWZGXKSH-OKILXGFUSA-N 1 1 334.420 0.237 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001077133315 758301130 /nfs/dbraw/zinc/30/11/30/758301130.db2.gz MBZGDXADHZINNM-GHMZBOCLSA-N 1 1 332.360 0.588 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001077133315 758301143 /nfs/dbraw/zinc/30/11/43/758301143.db2.gz MBZGDXADHZINNM-GHMZBOCLSA-N 1 1 332.360 0.588 20 30 ECEDMO C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCNS(C)(=O)=O)CC2 ZINC001107336250 758318596 /nfs/dbraw/zinc/31/85/96/758318596.db2.gz JCLSVLDINHKWCZ-GZBFAFLISA-N 1 1 342.465 0.056 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC001049212531 758325835 /nfs/dbraw/zinc/32/58/35/758325835.db2.gz UVNWANALJSRBQE-BETUJISGSA-N 1 1 332.404 0.456 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)c1cc(C#N)c[nH]1 ZINC001077146622 758326611 /nfs/dbraw/zinc/32/66/11/758326611.db2.gz VOUSMPMCFSCQRZ-YWPYICTPSA-N 1 1 347.419 0.230 20 30 ECEDMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)c1cc(C#N)c[nH]1 ZINC001077146622 758326622 /nfs/dbraw/zinc/32/66/22/758326622.db2.gz VOUSMPMCFSCQRZ-YWPYICTPSA-N 1 1 347.419 0.230 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001077152700 758359876 /nfs/dbraw/zinc/35/98/76/758359876.db2.gz GANFJMAPRYGCAZ-NVXWUHKLSA-N 1 1 332.448 0.272 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001077152700 758359884 /nfs/dbraw/zinc/35/98/84/758359884.db2.gz GANFJMAPRYGCAZ-NVXWUHKLSA-N 1 1 332.448 0.272 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)CC(N)=O)CCC[C@@H]23)C1=O ZINC001107347934 758362669 /nfs/dbraw/zinc/36/26/69/758362669.db2.gz JTTHPDWMLAEFCE-PMUMKWKESA-N 1 1 348.447 0.010 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001077165308 758396008 /nfs/dbraw/zinc/39/60/08/758396008.db2.gz MJSHZWKGSUYBIR-RKVPGOIHSA-N 1 1 335.448 0.420 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cncnc3)CCC[C@@H]12 ZINC001107369812 758411473 /nfs/dbraw/zinc/41/14/73/758411473.db2.gz AJQFWPZHODHIGG-CRAIPNDOSA-N 1 1 341.415 0.200 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)c3cn(C)nn3)CCC[C@@H]12 ZINC001107389099 758415589 /nfs/dbraw/zinc/41/55/89/758415589.db2.gz GIBCXFYAEXXISP-NVXWUHKLSA-N 1 1 333.436 0.992 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(c3nccnc3C#N)C[C@H]2C1 ZINC001049244424 758421708 /nfs/dbraw/zinc/42/17/08/758421708.db2.gz GSZDYWFASFEKCC-YCPHGPKFSA-N 1 1 340.431 0.727 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccnc(-n4cncn4)c3)C[C@H]2C1 ZINC001049248363 758430530 /nfs/dbraw/zinc/43/05/30/758430530.db2.gz VOCQCIBHDLUEOZ-IYBDPMFKSA-N 1 1 336.399 0.689 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001014410720 762628126 /nfs/dbraw/zinc/62/81/26/762628126.db2.gz VZOLJFCDNAQUKR-DZGCQCFKSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001014410720 762628128 /nfs/dbraw/zinc/62/81/28/762628128.db2.gz VZOLJFCDNAQUKR-DZGCQCFKSA-N 1 1 329.404 0.376 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001049249760 758435270 /nfs/dbraw/zinc/43/52/70/758435270.db2.gz NNLKYGORTMQKFB-HOTGVXAUSA-N 1 1 346.431 0.415 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)cc1 ZINC001077182873 758435617 /nfs/dbraw/zinc/43/56/17/758435617.db2.gz JWYZZCRYWHOFOI-HUUCEWRRSA-N 1 1 339.355 0.029 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)cc1 ZINC001077182873 758435622 /nfs/dbraw/zinc/43/56/22/758435622.db2.gz JWYZZCRYWHOFOI-HUUCEWRRSA-N 1 1 339.355 0.029 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(CC)s2)C1 ZINC001022220560 758441471 /nfs/dbraw/zinc/44/14/71/758441471.db2.gz KBDQOMIPPMQVJN-MJBXVCDLSA-N 1 1 347.488 0.935 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1O ZINC001049275450 758465369 /nfs/dbraw/zinc/46/53/69/758465369.db2.gz KLADLNDEYCZLHI-JYJNAYRXSA-N 1 1 339.480 0.961 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC(N)=O)CC2 ZINC001107400043 758467462 /nfs/dbraw/zinc/46/74/62/758467462.db2.gz XIKMFIDTKQYKDW-FZKQIMNGSA-N 1 1 348.447 0.592 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnn(C)n1)CC2 ZINC001107404776 758482823 /nfs/dbraw/zinc/48/28/23/758482823.db2.gz NODUORXXOOSWLI-SJLPKXTDSA-N 1 1 345.447 0.716 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnn(C)n1)CC2 ZINC001107404776 758482826 /nfs/dbraw/zinc/48/28/26/758482826.db2.gz NODUORXXOOSWLI-SJLPKXTDSA-N 1 1 345.447 0.716 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC001011769955 758531573 /nfs/dbraw/zinc/53/15/73/758531573.db2.gz AZPFANHQZQAOGH-FZMZJTMJSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC/C=C\CNc1nc(C)cc(C#N)n1 ZINC001107424824 758532265 /nfs/dbraw/zinc/53/22/65/758532265.db2.gz FSXUSSLBFIQENA-ARJAWSKDSA-N 1 1 325.376 0.946 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2cn[nH]c2)C1=O ZINC001049339926 758536266 /nfs/dbraw/zinc/53/62/66/758536266.db2.gz GZMJCASWZREURD-JYJNAYRXSA-N 1 1 343.431 0.876 20 30 ECEDMO COC1CC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)C1 ZINC001107444716 758580881 /nfs/dbraw/zinc/58/08/81/758580881.db2.gz XNMXAIHTVQGMSK-PPPKJHQXSA-N 1 1 348.447 0.412 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 ZINC001107457687 758618748 /nfs/dbraw/zinc/61/87/48/758618748.db2.gz JXMILWLGHLZHGT-RHSMWYFYSA-N 1 1 333.436 0.519 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12 ZINC001107457911 758619978 /nfs/dbraw/zinc/61/99/78/758619978.db2.gz WPDLYCGYNXABMI-VQIMIIECSA-N 1 1 346.475 0.145 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2ccncc2C#N)C1 ZINC001107465972 758624802 /nfs/dbraw/zinc/62/48/02/758624802.db2.gz RVINXKGDRYPQLS-IDOMTICXSA-N 1 1 343.431 0.569 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001077598846 758655670 /nfs/dbraw/zinc/65/56/70/758655670.db2.gz FTIJCERRQXPSOX-IAGOWNOFSA-N 1 1 327.384 0.975 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001077598846 758655676 /nfs/dbraw/zinc/65/56/76/758655676.db2.gz FTIJCERRQXPSOX-IAGOWNOFSA-N 1 1 327.384 0.975 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CN(C)C(=O)N3)CCC[C@@H]12 ZINC001107495068 758750823 /nfs/dbraw/zinc/75/08/23/758750823.db2.gz ILMUPQZZYOKJQT-IIDMSEBBSA-N 1 1 348.447 0.021 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCN(C)C3=O)CCC[C@@H]12 ZINC001107510962 758786033 /nfs/dbraw/zinc/78/60/33/758786033.db2.gz DYJLJKSLOHSAJI-GPMSIDNRSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001077321680 758792168 /nfs/dbraw/zinc/79/21/68/758792168.db2.gz ILDHUKAVQHSUKB-IAGOWNOFSA-N 1 1 329.400 0.121 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001077322663 758805281 /nfs/dbraw/zinc/80/52/81/758805281.db2.gz AMHDYYXPIGLWNM-IAGOWNOFSA-N 1 1 329.400 0.372 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001077322663 758805292 /nfs/dbraw/zinc/80/52/92/758805292.db2.gz AMHDYYXPIGLWNM-IAGOWNOFSA-N 1 1 329.400 0.372 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049523537 758857198 /nfs/dbraw/zinc/85/71/98/758857198.db2.gz ZFYXNRWVJUHSEJ-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049553722 758915786 /nfs/dbraw/zinc/91/57/86/758915786.db2.gz WEDBSQZYBJANMW-CVEARBPZSA-N 1 1 326.400 0.422 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001049559526 758921680 /nfs/dbraw/zinc/92/16/80/758921680.db2.gz XKOYDLBDPDDMCH-MGPQQGTHSA-N 1 1 329.404 0.245 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2O)C1 ZINC001049560145 758922904 /nfs/dbraw/zinc/92/29/04/758922904.db2.gz PLDLWDJROIMYTM-JYJNAYRXSA-N 1 1 349.475 0.408 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001049560692 758923840 /nfs/dbraw/zinc/92/38/40/758923840.db2.gz XKAHKXQKMMLOLH-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001011912506 758929611 /nfs/dbraw/zinc/92/96/11/758929611.db2.gz VUMXPNGGBWGJOD-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001011912506 758929617 /nfs/dbraw/zinc/92/96/17/758929617.db2.gz VUMXPNGGBWGJOD-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001049575311 758948865 /nfs/dbraw/zinc/94/88/65/758948865.db2.gz BPPHFNBELVAPFP-KBPBESRZSA-N 1 1 330.388 0.038 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nncn2CC1 ZINC001049605584 758982394 /nfs/dbraw/zinc/98/23/94/758982394.db2.gz PMFBLOFEGGOUPS-BZUAXINKSA-N 1 1 327.432 0.929 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049613554 758993781 /nfs/dbraw/zinc/99/37/81/758993781.db2.gz SALRUABINWRLHP-CABCVRRESA-N 1 1 333.436 0.613 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(CC(=O)NC)no3)C2)C1 ZINC001022680755 758996587 /nfs/dbraw/zinc/99/65/87/758996587.db2.gz OEFRFCKRSVNGGO-TXEJJXNPSA-N 1 1 347.419 0.451 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(CC)nc2C)C1 ZINC001077411703 759025314 /nfs/dbraw/zinc/02/53/14/759025314.db2.gz AUOMJGAJIXUOJB-HZPDHXFCSA-N 1 1 330.432 0.383 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001022843171 759167679 /nfs/dbraw/zinc/16/76/79/759167679.db2.gz YNKQAIMEPBAJQO-DGTMBMJNSA-N 1 1 334.424 0.489 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001049760585 759174581 /nfs/dbraw/zinc/17/45/81/759174581.db2.gz AZXMWQNYVZWEIW-QWHCGFSZSA-N 1 1 348.403 0.048 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nnnc1C(C)C ZINC001049772348 759186772 /nfs/dbraw/zinc/18/67/72/759186772.db2.gz GBQVLTGIJCBGCA-CABCVRRESA-N 1 1 330.436 0.885 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2ccnc2)nn1 ZINC001049783384 759199737 /nfs/dbraw/zinc/19/97/37/759199737.db2.gz OYNQEMFXQUTTFO-HOTGVXAUSA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001049783049 759200535 /nfs/dbraw/zinc/20/05/35/759200535.db2.gz TYPRQPNHJZCWKF-RRFJBIMHSA-N 1 1 341.477 0.662 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001049787291 759205522 /nfs/dbraw/zinc/20/55/22/759205522.db2.gz GVBJHCLLYDODNI-CABCVRRESA-N 1 1 346.431 0.568 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001105913953 762694903 /nfs/dbraw/zinc/69/49/03/762694903.db2.gz MNCIMYVTEAXMDQ-JSGCOSHPSA-N 1 1 346.435 0.141 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@@H](O)C1 ZINC001083598995 759226917 /nfs/dbraw/zinc/22/69/17/759226917.db2.gz XDZHHXKLPFEGRA-ZBFHGGJFSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@@H](O)C1 ZINC001083598995 759226920 /nfs/dbraw/zinc/22/69/20/759226920.db2.gz XDZHHXKLPFEGRA-ZBFHGGJFSA-N 1 1 325.372 0.066 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(n2)OCCO3)[C@@H](O)C1 ZINC001083603038 759248891 /nfs/dbraw/zinc/24/88/91/759248891.db2.gz AYHRFGKBYLYPQJ-KGLIPLIRSA-N 1 1 333.388 0.594 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O ZINC001049832165 759268507 /nfs/dbraw/zinc/26/85/07/759268507.db2.gz TVVTXZSAFDRROK-UONOGXRCSA-N 1 1 334.420 0.570 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)OCC)C[C@]2(C)C1 ZINC001101156595 759293444 /nfs/dbraw/zinc/29/34/44/759293444.db2.gz DHWOLUSOEZWLMD-VKJFTORMSA-N 1 1 335.448 0.331 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)N(C)C)nc1 ZINC001049855194 759305289 /nfs/dbraw/zinc/30/52/89/759305289.db2.gz PPOPNTFVXLPRBC-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)N(C)C)nc1 ZINC001049855194 759305299 /nfs/dbraw/zinc/30/52/99/759305299.db2.gz PPOPNTFVXLPRBC-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CCCOc1ccc(C(=O)NCC[NH2+][C@H](C)c2nnnn2C)cc1 ZINC001127015108 759311597 /nfs/dbraw/zinc/31/15/97/759311597.db2.gz ZJKRMPVHCICWNR-CYBMUJFWSA-N 1 1 342.403 0.693 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001049871370 759324826 /nfs/dbraw/zinc/32/48/26/759324826.db2.gz LCCDJSKOKAWJJW-OLZOCXBDSA-N 1 1 334.420 0.568 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001032168441 759349843 /nfs/dbraw/zinc/34/98/43/759349843.db2.gz CYNWVMQUPNSZFG-CQSZACIVSA-N 1 1 330.388 0.236 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O ZINC001049886754 759351455 /nfs/dbraw/zinc/35/14/55/759351455.db2.gz UHSSPXKBZKJARX-HUUCEWRRSA-N 1 1 348.447 0.912 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001047638095 759371607 /nfs/dbraw/zinc/37/16/07/759371607.db2.gz BEDWYJPGJGWJPV-IHRRRGAJSA-N 1 1 347.381 0.540 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001047638328 759373381 /nfs/dbraw/zinc/37/33/81/759373381.db2.gz NCYRRFDOHDFARO-AVGNSLFASA-N 1 1 335.370 0.703 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001047638328 759373393 /nfs/dbraw/zinc/37/33/93/759373393.db2.gz NCYRRFDOHDFARO-AVGNSLFASA-N 1 1 335.370 0.703 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001049898336 759374943 /nfs/dbraw/zinc/37/49/43/759374943.db2.gz ARSSLJRTYIRFBY-RBSFLKMASA-N 1 1 341.477 0.710 20 30 ECEDMO C=CCOc1ccc(CC(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)cc1 ZINC001047640057 759381728 /nfs/dbraw/zinc/38/17/28/759381728.db2.gz HDJRXINBVGLGLW-ROUUACIJSA-N 1 1 348.443 0.680 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccnc1C(N)=O ZINC001049910518 759393888 /nfs/dbraw/zinc/39/38/88/759393888.db2.gz VJCXCUQNYQRSAE-HUUCEWRRSA-N 1 1 326.400 0.883 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nncn2C1 ZINC001049922486 759407227 /nfs/dbraw/zinc/40/72/27/759407227.db2.gz ZDNFFXFSOSOYNQ-HRCADAONSA-N 1 1 327.432 0.929 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001054242974 767858152 /nfs/dbraw/zinc/85/81/52/767858152.db2.gz UXIHSHQZSPNHBN-DZGCQCFKSA-N 1 1 327.450 0.179 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)c3cccnc32)C1 ZINC001077429546 759482211 /nfs/dbraw/zinc/48/22/11/759482211.db2.gz WVKCJEJERUULKL-HUUCEWRRSA-N 1 1 329.404 0.477 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001050024480 759563679 /nfs/dbraw/zinc/56/36/79/759563679.db2.gz HNOFWYQASYTDLA-SLEUVZQESA-N 1 1 329.404 0.557 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN(CC#Cc3ccccc3)C2)C1 ZINC001032201841 759581947 /nfs/dbraw/zinc/58/19/47/759581947.db2.gz KQDALSNEIVERAW-IBGZPJMESA-N 1 1 341.455 0.807 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN(CC#Cc3ccccc3)C2)C1 ZINC001032201841 759581950 /nfs/dbraw/zinc/58/19/50/759581950.db2.gz KQDALSNEIVERAW-IBGZPJMESA-N 1 1 341.455 0.807 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C(C)(C)C)n3)[C@@H]2C1 ZINC001050053532 759622127 /nfs/dbraw/zinc/62/21/27/759622127.db2.gz ODLXQRRTZFYCNR-UONOGXRCSA-N 1 1 330.436 0.988 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3nc(OC)cc(OC)n3)[C@@H]2C1 ZINC001050077518 759664505 /nfs/dbraw/zinc/66/45/05/759664505.db2.gz XYYWOOSCJKXNQV-QWHCGFSZSA-N 1 1 330.388 0.663 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050099251 759700528 /nfs/dbraw/zinc/70/05/28/759700528.db2.gz XXFBRTRXMMQISV-ZIAGYGMSSA-N 1 1 340.493 0.938 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nc1 ZINC001125110616 759701239 /nfs/dbraw/zinc/70/12/39/759701239.db2.gz KBROIMAWYSEWFL-MRXNPFEDSA-N 1 1 342.403 0.414 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nc(C)nn4C3)[C@@H]2C1 ZINC001050103115 759707765 /nfs/dbraw/zinc/70/77/65/759707765.db2.gz DXFAWEFDBCTIOF-ARFHVFGLSA-N 1 1 327.432 0.705 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C)[nH]n3)CC2(C)C)C1=O ZINC000995527013 759708415 /nfs/dbraw/zinc/70/84/15/759708415.db2.gz DJPUFHBMSFHCQH-DZGCQCFKSA-N 1 1 345.447 0.945 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ncc(C#N)cc1F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125111424 759719748 /nfs/dbraw/zinc/71/97/48/759719748.db2.gz WPJZZZJNSMWFOA-ZIAGYGMSSA-N 1 1 349.410 0.300 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CCN(C(=O)C(F)F)C3)C2)C1=O ZINC001040981471 759769817 /nfs/dbraw/zinc/76/98/17/759769817.db2.gz QAVUUANOVXXFIS-MLGOLLRUSA-N 1 1 327.375 0.963 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(C)c(=O)n(C)c3=O)[C@@H]2C1 ZINC001050152121 759811182 /nfs/dbraw/zinc/81/11/82/759811182.db2.gz AMPIAIZCVQVGEW-DZGCQCFKSA-N 1 1 346.431 0.197 20 30 ECEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)cc2C1 ZINC001054281581 767893566 /nfs/dbraw/zinc/89/35/66/767893566.db2.gz QXVYSPGOVFFXLT-JKSUJKDBSA-N 1 1 329.400 0.837 20 30 ECEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)cc2C1 ZINC001054281581 767893570 /nfs/dbraw/zinc/89/35/70/767893570.db2.gz QXVYSPGOVFFXLT-JKSUJKDBSA-N 1 1 329.400 0.837 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 ZINC001050178096 759872955 /nfs/dbraw/zinc/87/29/55/759872955.db2.gz ZDMHZPJJGNSITA-UONOGXRCSA-N 1 1 346.431 0.263 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)cn1 ZINC001050185374 759896692 /nfs/dbraw/zinc/89/66/92/759896692.db2.gz AFFGYTUPRUSNIN-USXIJHARSA-N 1 1 338.411 0.488 20 30 ECEDMO Cc1nc(NC/C=C/CNC(=O)[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001107093729 759898831 /nfs/dbraw/zinc/89/88/31/759898831.db2.gz MEJKYWGDJYAQNH-BWPKMQGJSA-N 1 1 329.404 0.677 20 30 ECEDMO Cc1nc(NC/C=C/CNC(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001107093729 759898842 /nfs/dbraw/zinc/89/88/42/759898842.db2.gz MEJKYWGDJYAQNH-BWPKMQGJSA-N 1 1 329.404 0.677 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3nc4nc(C)cc(C)n4n3)[C@@H]2C1 ZINC001050192406 759907741 /nfs/dbraw/zinc/90/77/41/759907741.db2.gz JPFALKKJHOPSLL-LSDHHAIUSA-N 1 1 338.415 0.911 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001050196939 759918885 /nfs/dbraw/zinc/91/88/85/759918885.db2.gz RAAPYOAIFBUALW-SOUVJXGZSA-N 1 1 348.447 0.864 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1OC ZINC001212139040 759946843 /nfs/dbraw/zinc/94/68/43/759946843.db2.gz PCUASTQECDFZRN-HZPDHXFCSA-N 1 1 347.390 0.281 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1OC ZINC001212139040 759946846 /nfs/dbraw/zinc/94/68/46/759946846.db2.gz PCUASTQECDFZRN-HZPDHXFCSA-N 1 1 347.390 0.281 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993014943 767904644 /nfs/dbraw/zinc/90/46/44/767904644.db2.gz OEYQXBWSAIRADQ-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC001127031980 760040223 /nfs/dbraw/zinc/04/02/23/760040223.db2.gz MYOWJPHCASOZQR-UHFFFAOYSA-N 1 1 331.420 0.736 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)n1 ZINC001050328660 760136032 /nfs/dbraw/zinc/13/60/32/760136032.db2.gz KQRMQOCIACINKI-NFAWXSAZSA-N 1 1 342.447 0.946 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001048277922 760206191 /nfs/dbraw/zinc/20/61/91/760206191.db2.gz RGSFMCJZCOUTEY-KGLIPLIRSA-N 1 1 343.435 0.696 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001083645638 760338754 /nfs/dbraw/zinc/33/87/54/760338754.db2.gz LANJNXHCTFNRLS-MSOLQXFVSA-N 1 1 338.411 0.405 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCn3cncn3)nn2)C1 ZINC001107129041 760519610 /nfs/dbraw/zinc/51/96/10/760519610.db2.gz CROASFWTHKHXSK-UHFFFAOYSA-N 1 1 330.396 0.009 20 30 ECEDMO C[C@@H](F)CC[NH+]1CC(n2cc(CNC(=O)CSCC#N)nn2)C1 ZINC001107129986 760523241 /nfs/dbraw/zinc/52/32/41/760523241.db2.gz ZCMPLZNQZJYIAL-LLVKDONJSA-N 1 1 340.428 0.756 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)nc(CC)nc2C)[C@@H](O)C1 ZINC001083652676 760582916 /nfs/dbraw/zinc/58/29/16/760582916.db2.gz AUOMJGAJIXUOJB-CVEARBPZSA-N 1 1 330.432 0.383 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001054410592 767963470 /nfs/dbraw/zinc/96/34/70/767963470.db2.gz WFIUFGYKKUIVOW-MGPQQGTHSA-N 1 1 328.420 0.806 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)nc(CC)nc2C)[C@@H](O)C1 ZINC001083653182 760590000 /nfs/dbraw/zinc/59/00/00/760590000.db2.gz ZGGZDAUXCYPNAR-CVEARBPZSA-N 1 1 332.448 0.936 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@H]12 ZINC000991383460 760612831 /nfs/dbraw/zinc/61/28/31/760612831.db2.gz HZFPYDVBBWCQDJ-YJBOKZPZSA-N 1 1 326.400 0.469 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@@H]12 ZINC000991385347 760626277 /nfs/dbraw/zinc/62/62/77/760626277.db2.gz KXWPTEYVZXONJU-APWZRJJASA-N 1 1 340.427 0.860 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001050649461 760626514 /nfs/dbraw/zinc/62/65/14/760626514.db2.gz PCUPKWRWRORQEY-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C2 ZINC001048559023 760716686 /nfs/dbraw/zinc/71/66/86/760716686.db2.gz PNKBSZOUEMNCLJ-YVECIDJPSA-N 1 1 326.828 0.780 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1C(N)=O)C2 ZINC001048583255 760753235 /nfs/dbraw/zinc/75/32/35/760753235.db2.gz IFTGKILGVWYAEF-QKPAOTATSA-N 1 1 332.448 0.912 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101174154 760753798 /nfs/dbraw/zinc/75/37/98/760753798.db2.gz HALBQFXDZAMUEI-NFAWXSAZSA-N 1 1 327.450 0.361 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101174154 760753802 /nfs/dbraw/zinc/75/38/02/760753802.db2.gz HALBQFXDZAMUEI-NFAWXSAZSA-N 1 1 327.450 0.361 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001048586706 760758926 /nfs/dbraw/zinc/75/89/26/760758926.db2.gz UFGBNSGKISBOAF-MHORFTMASA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001050779398 760834912 /nfs/dbraw/zinc/83/49/12/760834912.db2.gz LOUYJXAYPAMCGT-ZBFHGGJFSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)COC)C[C@@]2(C)C1 ZINC000993060367 767991863 /nfs/dbraw/zinc/99/18/63/767991863.db2.gz KIFGEMHPJZKJKX-VKJFTORMSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)COC)C[C@@]2(C)C1 ZINC000993060367 767991865 /nfs/dbraw/zinc/99/18/65/767991865.db2.gz KIFGEMHPJZKJKX-VKJFTORMSA-N 1 1 333.432 0.037 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](C)SC)C[C@H]3C2)C1=O ZINC001048693955 760954028 /nfs/dbraw/zinc/95/40/28/760954028.db2.gz CSBIWLYAHYMIQK-BYNSBNAKSA-N 1 1 337.489 0.915 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC4N=NC(=O)N4C3)CCC[C@H]12 ZINC000991443920 760971150 /nfs/dbraw/zinc/97/11/50/760971150.db2.gz DBRMGUJBANVNRC-QWQRMKEZSA-N 1 1 343.431 0.683 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC4N=NC(=O)N4C3)CCC[C@H]12 ZINC000991445315 760975504 /nfs/dbraw/zinc/97/55/04/760975504.db2.gz HNFWSMFAWFXPEX-SUNYJGFJSA-N 1 1 343.431 0.683 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC001048708584 760990847 /nfs/dbraw/zinc/99/08/47/760990847.db2.gz GMUZYWLSIANYEP-IRXDYDNUSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC4N=NC(=O)N4C3)CCC[C@H]12 ZINC000991451259 760998842 /nfs/dbraw/zinc/99/88/42/760998842.db2.gz ZBENGIBWMVTJIJ-GDZNZVCISA-N 1 1 329.404 0.293 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C[C@@H]2C1 ZINC001048726469 761050706 /nfs/dbraw/zinc/05/07/06/761050706.db2.gz FEEYQCNXVONWML-YYWXWVFPSA-N 1 1 344.390 0.902 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C[C@@H]2C1 ZINC001048726469 761050712 /nfs/dbraw/zinc/05/07/12/761050712.db2.gz FEEYQCNXVONWML-YYWXWVFPSA-N 1 1 344.390 0.902 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4ccon4)C[C@H]3C2)C1=O ZINC001048733116 761067204 /nfs/dbraw/zinc/06/72/04/761067204.db2.gz YXBIFHAPAWZBEQ-IJEWVQPXSA-N 1 1 344.415 0.394 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 ZINC000991470022 761083346 /nfs/dbraw/zinc/08/33/46/761083346.db2.gz HEKGHBMGLNOHTI-WMLDXEAASA-N 1 1 333.436 0.661 20 30 ECEDMO Cc1nonc1C[N@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048750285 761109407 /nfs/dbraw/zinc/10/94/07/761109407.db2.gz VVQQACROLITZGA-BETUJISGSA-N 1 1 326.360 0.782 20 30 ECEDMO Cc1nonc1C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048750285 761109415 /nfs/dbraw/zinc/10/94/15/761109415.db2.gz VVQQACROLITZGA-BETUJISGSA-N 1 1 326.360 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12 ZINC000991475823 761122575 /nfs/dbraw/zinc/12/25/75/761122575.db2.gz UBVJFCRYQBWPIW-CRAIPNDOSA-N 1 1 334.464 0.450 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001013262118 761241933 /nfs/dbraw/zinc/24/19/33/761241933.db2.gz PXRKXPMVHQRCMG-RISCZKNCSA-N 1 1 340.387 0.811 20 30 ECEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1OC ZINC001212148202 761244159 /nfs/dbraw/zinc/24/41/59/761244159.db2.gz DBOOIVRGCRDNHJ-ARFHVFGLSA-N 1 1 345.447 0.774 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCS(N)(=O)=O ZINC001099203758 768022957 /nfs/dbraw/zinc/02/29/57/768022957.db2.gz RIZPDZLJZUIUTM-CQSZACIVSA-N 1 1 343.493 0.685 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)OCCOC)CC2)C1 ZINC001105726814 761356828 /nfs/dbraw/zinc/35/68/28/761356828.db2.gz SXEBWMWYNXPUQF-OAHLLOKOSA-N 1 1 338.448 0.753 20 30 ECEDMO C=CCCN1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051028018 761361129 /nfs/dbraw/zinc/36/11/29/761361129.db2.gz BPOISTOBZLNGOH-GARNVTTQSA-N 1 1 335.448 0.243 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)[nH]1 ZINC000991523858 761362769 /nfs/dbraw/zinc/36/27/69/761362769.db2.gz ICBQDLJDOZPYHK-IUODEOHRSA-N 1 1 341.415 0.701 20 30 ECEDMO C=CCCN1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082269 761456349 /nfs/dbraw/zinc/45/63/49/761456349.db2.gz XEHBAFKBAIHJOB-HZPDHXFCSA-N 1 1 325.453 0.489 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CCOCC1 ZINC001051125099 761526897 /nfs/dbraw/zinc/52/68/97/761526897.db2.gz XFINBWBVFLKONU-ZACQAIPSSA-N 1 1 338.448 0.821 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1CCOCC1 ZINC001051125099 761526903 /nfs/dbraw/zinc/52/69/03/761526903.db2.gz XFINBWBVFLKONU-ZACQAIPSSA-N 1 1 338.448 0.821 20 30 ECEDMO C=C(Br)CN1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001051240633 761742540 /nfs/dbraw/zinc/74/25/40/761742540.db2.gz IFTBBUKMLJMDCJ-QWHCGFSZSA-N 1 1 346.269 0.664 20 30 ECEDMO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCC(=O)N3)cccc2C1 ZINC001051283139 761822540 /nfs/dbraw/zinc/82/25/40/761822540.db2.gz FQFFXYBQWNLWRX-QGZVFWFLSA-N 1 1 325.412 0.963 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC(=O)N(C)C3)cccc2C1 ZINC001051290308 761837325 /nfs/dbraw/zinc/83/73/25/761837325.db2.gz SNQCVUWVTUHONH-MRXNPFEDSA-N 1 1 325.412 0.772 20 30 ECEDMO CC#CC[N@H+]1CCc2c(CNC(=O)[C@H]3CNC(=O)N3)cccc2C1 ZINC001051299803 761851093 /nfs/dbraw/zinc/85/10/93/761851093.db2.gz PDUMFCOLROBDKN-MRXNPFEDSA-N 1 1 326.400 0.366 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1snc(C)c1C#N ZINC001105918115 762755883 /nfs/dbraw/zinc/75/58/83/762755883.db2.gz XGWSFSJIOGLJMO-LBPRGKRZSA-N 1 1 339.465 0.944 20 30 ECEDMO CCCCCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001105935649 762892758 /nfs/dbraw/zinc/89/27/58/762892758.db2.gz VTIDDYFMJLRZEM-HNNXBMFYSA-N 1 1 348.451 0.749 20 30 ECEDMO C[C@H](CCNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001106293213 768093401 /nfs/dbraw/zinc/09/34/01/768093401.db2.gz BZYHZYHYKDKOKL-RISCZKNCSA-N 1 1 335.383 0.730 20 30 ECEDMO C[C@H](CCNc1ncc(C#N)cc1F)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001106293213 768093410 /nfs/dbraw/zinc/09/34/10/768093410.db2.gz BZYHZYHYKDKOKL-RISCZKNCSA-N 1 1 335.383 0.730 20 30 ECEDMO CCc1nc(C#N)cc(NCC[C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001106294169 768096436 /nfs/dbraw/zinc/09/64/36/768096436.db2.gz PPKWHUKBFXWBNW-OCCSQVGLSA-N 1 1 346.435 0.548 20 30 ECEDMO CCc1nc(C#N)cc(NCC[C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001106294169 768096444 /nfs/dbraw/zinc/09/64/44/768096444.db2.gz PPKWHUKBFXWBNW-OCCSQVGLSA-N 1 1 346.435 0.548 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc4n(n3)CCC4)C2)C1=O ZINC001014645305 762957389 /nfs/dbraw/zinc/95/73/89/762957389.db2.gz NLKMLLDTQRZGLE-BBRMVZONSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc4n(n3)CCC4)C2)C1=O ZINC001014645305 762957393 /nfs/dbraw/zinc/95/73/93/762957393.db2.gz NLKMLLDTQRZGLE-BBRMVZONSA-N 1 1 343.431 0.420 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)cc1F ZINC001014711620 763026302 /nfs/dbraw/zinc/02/63/02/763026302.db2.gz OUMWUOIJGCSYPF-UKRRQHHQSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)cc1F ZINC001014711620 763026307 /nfs/dbraw/zinc/02/63/07/763026307.db2.gz OUMWUOIJGCSYPF-UKRRQHHQSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3=O)C2)cc1 ZINC001014741464 763070232 /nfs/dbraw/zinc/07/02/32/763070232.db2.gz PUWLNBWQADJSFK-MRXNPFEDSA-N 1 1 342.399 0.108 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046779058 763114065 /nfs/dbraw/zinc/11/40/65/763114065.db2.gz ONPGUBXXMXTJNY-MAUKXSAKSA-N 1 1 326.400 0.917 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC001046779155 763114219 /nfs/dbraw/zinc/11/42/19/763114219.db2.gz PYYQIEWASSSCLR-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001046780014 763114956 /nfs/dbraw/zinc/11/49/56/763114956.db2.gz ZIZHAOMRIVTXIF-BFUOFWGJSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001046780014 763114963 /nfs/dbraw/zinc/11/49/63/763114963.db2.gz ZIZHAOMRIVTXIF-BFUOFWGJSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC001046783556 763120322 /nfs/dbraw/zinc/12/03/22/763120322.db2.gz QZTGMEFVNFGWKF-UGSOOPFHSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC001046783556 763120328 /nfs/dbraw/zinc/12/03/28/763120328.db2.gz QZTGMEFVNFGWKF-UGSOOPFHSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(OC)ns2)C1 ZINC001014771154 763128698 /nfs/dbraw/zinc/12/86/98/763128698.db2.gz WKSIUVZQNFLXRV-ZFWWWQNUSA-N 1 1 348.472 0.940 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(OC)ns2)C1 ZINC001014771154 763128703 /nfs/dbraw/zinc/12/87/03/763128703.db2.gz WKSIUVZQNFLXRV-ZFWWWQNUSA-N 1 1 348.472 0.940 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NC2CCCC2)C1 ZINC001014774169 763133517 /nfs/dbraw/zinc/13/35/17/763133517.db2.gz CECXBYXNDRMVIG-IRXDYDNUSA-N 1 1 346.475 0.333 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NC2CCCC2)C1 ZINC001014774169 763133525 /nfs/dbraw/zinc/13/35/25/763133525.db2.gz CECXBYXNDRMVIG-IRXDYDNUSA-N 1 1 346.475 0.333 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc3n(n2)CCC3)C1 ZINC001014778324 763137358 /nfs/dbraw/zinc/13/73/58/763137358.db2.gz CUJURFSRRSSPMS-QAPCUYQASA-N 1 1 341.459 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc3n(n2)CCC3)C1 ZINC001014778324 763137365 /nfs/dbraw/zinc/13/73/65/763137365.db2.gz CUJURFSRRSSPMS-QAPCUYQASA-N 1 1 341.459 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nccnc2C)C1 ZINC001014780102 763139854 /nfs/dbraw/zinc/13/98/54/763139854.db2.gz PKEBQGQFIJKOAV-WBVHZDCISA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nccnc2C)C1 ZINC001014780102 763139858 /nfs/dbraw/zinc/13/98/58/763139858.db2.gz PKEBQGQFIJKOAV-WBVHZDCISA-N 1 1 327.432 0.573 20 30 ECEDMO Cc1ccc(C#N)c(NC2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001051879611 763191840 /nfs/dbraw/zinc/19/18/40/763191840.db2.gz ZSPNQHPLDYIDJJ-AVVWSFFYSA-N 1 1 343.431 0.899 20 30 ECEDMO Cc1ccc(C#N)c(NC2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001051879611 763191845 /nfs/dbraw/zinc/19/18/45/763191845.db2.gz ZSPNQHPLDYIDJJ-AVVWSFFYSA-N 1 1 343.431 0.899 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001089857511 763263576 /nfs/dbraw/zinc/26/35/76/763263576.db2.gz ZHTCIMFTJSXGOP-YXWQFLTLSA-N 1 1 326.400 0.576 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC000991762062 763310186 /nfs/dbraw/zinc/31/01/86/763310186.db2.gz XYTTVBYIDPDPMO-CABCVRRESA-N 1 1 332.404 0.500 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001046906988 763358648 /nfs/dbraw/zinc/35/86/48/763358648.db2.gz FRLOIQUEEZTMEX-RBSFLKMASA-N 1 1 342.447 0.950 20 30 ECEDMO N#Cc1ccccc1CNC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001051933226 763377258 /nfs/dbraw/zinc/37/72/58/763377258.db2.gz GNNGWFFXVIHAKA-SFHVURJKSA-N 1 1 342.443 0.971 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046944594 763433068 /nfs/dbraw/zinc/43/30/68/763433068.db2.gz JSYZROHHVCEDLS-QWHCGFSZSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nc(CC)no2)C1 ZINC001030463796 763447065 /nfs/dbraw/zinc/44/70/65/763447065.db2.gz WRJBWTUNGNLELO-OCCSQVGLSA-N 1 1 331.420 0.591 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nc(CC)no2)C1 ZINC001030463796 763447068 /nfs/dbraw/zinc/44/70/68/763447068.db2.gz WRJBWTUNGNLELO-OCCSQVGLSA-N 1 1 331.420 0.591 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001046951445 763448222 /nfs/dbraw/zinc/44/82/22/763448222.db2.gz LKMBBEDNVCCWKY-QWHCGFSZSA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001046951445 763448227 /nfs/dbraw/zinc/44/82/27/763448227.db2.gz LKMBBEDNVCCWKY-QWHCGFSZSA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001046951993 763448606 /nfs/dbraw/zinc/44/86/06/763448606.db2.gz VEOOIXPSLXKRDB-NSHDSACASA-N 1 1 349.341 0.984 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001046951993 763448610 /nfs/dbraw/zinc/44/86/10/763448610.db2.gz VEOOIXPSLXKRDB-NSHDSACASA-N 1 1 349.341 0.984 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001046955115 763456320 /nfs/dbraw/zinc/45/63/20/763456320.db2.gz XPVFOPYJAHXZBO-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(CCC)no2)C1 ZINC001030464456 763458424 /nfs/dbraw/zinc/45/84/24/763458424.db2.gz UNKUTAMYWBBDDG-AWEZNQCLSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(CCC)no2)C1 ZINC001030464456 763458431 /nfs/dbraw/zinc/45/84/31/763458431.db2.gz UNKUTAMYWBBDDG-AWEZNQCLSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001046956650 763460088 /nfs/dbraw/zinc/46/00/88/763460088.db2.gz BOSCENZQESTVMO-CYBMUJFWSA-N 1 1 340.374 0.850 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001046956650 763460092 /nfs/dbraw/zinc/46/00/92/763460092.db2.gz BOSCENZQESTVMO-CYBMUJFWSA-N 1 1 340.374 0.850 20 30 ECEDMO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001031900581 763461737 /nfs/dbraw/zinc/46/17/37/763461737.db2.gz WNJNOKCLTJKKJA-HNNXBMFYSA-N 1 1 327.388 0.130 20 30 ECEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046962277 763471902 /nfs/dbraw/zinc/47/19/02/763471902.db2.gz GPDBYUZZYVGNDZ-NWDGAFQWSA-N 1 1 330.379 0.660 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001105995145 763483530 /nfs/dbraw/zinc/48/35/30/763483530.db2.gz NZGDEZBLAWDZFJ-CVEARBPZSA-N 1 1 345.447 0.527 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001046975007 763494684 /nfs/dbraw/zinc/49/46/84/763494684.db2.gz SAMBLICXVNAUSM-LLVKDONJSA-N 1 1 338.358 0.824 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001046975007 763494688 /nfs/dbraw/zinc/49/46/88/763494688.db2.gz SAMBLICXVNAUSM-LLVKDONJSA-N 1 1 338.358 0.824 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046994074 763531502 /nfs/dbraw/zinc/53/15/02/763531502.db2.gz BVLUNWYCSPTXHT-NSHDSACASA-N 1 1 326.347 0.653 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3csc(C)n3)C2)C1=O ZINC001031922068 763585938 /nfs/dbraw/zinc/58/59/38/763585938.db2.gz QHQMHRMASRDFIM-CQSZACIVSA-N 1 1 334.445 0.900 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2cncc(C#N)n2)C1 ZINC001106003574 763603324 /nfs/dbraw/zinc/60/33/24/763603324.db2.gz DSCGGIVGSKHLKD-DZGCQCFKSA-N 1 1 346.435 0.215 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052026146 763618541 /nfs/dbraw/zinc/61/85/41/763618541.db2.gz ATVQHOVRUXENGI-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)O1 ZINC001047071857 763629659 /nfs/dbraw/zinc/62/96/59/763629659.db2.gz XSHOSENHIQKUFZ-DTZQCDIJSA-N 1 1 343.431 0.979 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)O1 ZINC001047071857 763629664 /nfs/dbraw/zinc/62/96/64/763629664.db2.gz XSHOSENHIQKUFZ-DTZQCDIJSA-N 1 1 343.431 0.979 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032317 763634182 /nfs/dbraw/zinc/63/41/82/763634182.db2.gz FLZDVQSEKTZJIB-INIZCTEOSA-N 1 1 328.420 0.151 20 30 ECEDMO Cc1ccn(C[C@H](C)C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052032779 763635572 /nfs/dbraw/zinc/63/55/72/763635572.db2.gz KGYJDKZBBKEZIE-RDJZCZTQSA-N 1 1 344.463 0.570 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)nc3C3CC3)C2)CC1 ZINC001052035296 763640389 /nfs/dbraw/zinc/64/03/89/763640389.db2.gz GYGLOUFUFJUWRR-MRXNPFEDSA-N 1 1 341.459 0.763 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(OCC)nc3)C2)CC1 ZINC001052035512 763641779 /nfs/dbraw/zinc/64/17/79/763641779.db2.gz KUTNCEQVCDPQJB-KRWDZBQOSA-N 1 1 342.443 0.946 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nnn3CC)C2)CC1 ZINC001052035469 763641822 /nfs/dbraw/zinc/64/18/22/763641822.db2.gz COYRLAORVYCTHA-OAHLLOKOSA-N 1 1 330.436 0.072 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc(C4CC4)no3)C2)CC1 ZINC001052035515 763643867 /nfs/dbraw/zinc/64/38/67/763643867.db2.gz DIIFTEUJEXNBHN-HNNXBMFYSA-N 1 1 343.431 0.837 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C4CC4)cnn3C)C2)CC1 ZINC001052035878 763645208 /nfs/dbraw/zinc/64/52/08/763645208.db2.gz SJUXYHRZEDVPKL-INIZCTEOSA-N 1 1 341.459 0.763 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C3(F)CCOCC3)C2)CC1 ZINC001052036769 763651098 /nfs/dbraw/zinc/65/10/98/763651098.db2.gz UTNPUWKMSDSFRF-INIZCTEOSA-N 1 1 337.439 0.747 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052040160 763661264 /nfs/dbraw/zinc/66/12/64/763661264.db2.gz AEONRZQSVSZKDB-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052040160 763661272 /nfs/dbraw/zinc/66/12/72/763661272.db2.gz AEONRZQSVSZKDB-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO CC#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052044730 763680154 /nfs/dbraw/zinc/68/01/54/763680154.db2.gz KYWRJSPCSRVTTQ-ROUUACIJSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc(C)nn3C)C2)CC1 ZINC001052048660 763697347 /nfs/dbraw/zinc/69/73/47/763697347.db2.gz AHCQVYAXISSAHR-QGZVFWFLSA-N 1 1 343.475 0.513 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccon3)C2)CC1 ZINC001052052589 763716609 /nfs/dbraw/zinc/71/66/09/763716609.db2.gz QREPOUIQNMWNRC-KRWDZBQOSA-N 1 1 330.432 0.849 20 30 ECEDMO Cc1cncc(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052054701 763721162 /nfs/dbraw/zinc/72/11/62/763721162.db2.gz AOZXUGUTMYUMIJ-KRWDZBQOSA-N 1 1 327.432 0.675 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052056219 763726971 /nfs/dbraw/zinc/72/69/71/763726971.db2.gz UIJVQRWUWLSJBJ-NEXGVSGLSA-N 1 1 330.432 0.152 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC001052057914 763733558 /nfs/dbraw/zinc/73/35/58/763733558.db2.gz VATTYWVGRIKCNP-IRXDYDNUSA-N 1 1 346.475 0.145 20 30 ECEDMO CCOC1CC(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052068312 763761590 /nfs/dbraw/zinc/76/15/90/763761590.db2.gz FKWXYMFHSSYDKB-AQFXKWCLSA-N 1 1 334.464 0.934 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4n3CCCC4)C2)CC1 ZINC001052068609 763763137 /nfs/dbraw/zinc/76/31/37/763763137.db2.gz KWFNBMZWHIHXNE-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(CCC)nn3)C2)nn1 ZINC001098758253 763764346 /nfs/dbraw/zinc/76/43/46/763764346.db2.gz YBQAIKLMQIYXAA-CQSZACIVSA-N 1 1 344.423 0.642 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCc4cccnc43)C2)CC1 ZINC001052069023 763765048 /nfs/dbraw/zinc/76/50/48/763765048.db2.gz PAZOREXVMAEPIO-IAGOWNOFSA-N 1 1 339.443 0.853 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)Oc3cccnc3)C2)CC1 ZINC001052079519 763793354 /nfs/dbraw/zinc/79/33/54/763793354.db2.gz BWIRISIIKQDVOX-IRXDYDNUSA-N 1 1 342.443 0.701 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccnc(OC)c3)C2)CC1 ZINC001052081492 763799382 /nfs/dbraw/zinc/79/93/82/763799382.db2.gz CCSIBTNUFLXULK-QGZVFWFLSA-N 1 1 342.443 0.484 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3n[nH]c4c3CCC4)C2)C1=O ZINC001015069272 763802977 /nfs/dbraw/zinc/80/29/77/763802977.db2.gz FIFONZZYIPANCQ-DOMZBBRYSA-N 1 1 343.431 0.489 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3n[nH]c4c3CCC4)C2)C1=O ZINC001015069272 763802984 /nfs/dbraw/zinc/80/29/84/763802984.db2.gz FIFONZZYIPANCQ-DOMZBBRYSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3Cc4ccncc4C3)C2)CC1 ZINC001052083111 763803966 /nfs/dbraw/zinc/80/39/66/763803966.db2.gz JMIVEIVYUCUCBI-HKUYNNGSSA-N 1 1 338.455 0.648 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3Cc4ccncc4C3)C2)CC1 ZINC001052084687 763809224 /nfs/dbraw/zinc/80/92/24/763809224.db2.gz XAQWWVWVEAPKIR-FUHWJXTLSA-N 1 1 339.443 0.538 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3nccn4ccnc34)C2)CC1 ZINC001052085205 763810674 /nfs/dbraw/zinc/81/06/74/763810674.db2.gz ACBODQOZVVXALZ-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccn(C)c3C)C2)C1=O ZINC001031961829 763812166 /nfs/dbraw/zinc/81/21/66/763812166.db2.gz YFIKVCSPLSTGNG-MRXNPFEDSA-N 1 1 330.432 0.782 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052089636 763824248 /nfs/dbraw/zinc/82/42/48/763824248.db2.gz SDLHPTJLHIKUEU-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052092274 763833479 /nfs/dbraw/zinc/83/34/79/763833479.db2.gz WMPXYTOWQOGEKH-IXDOHACOSA-N 1 1 342.447 0.266 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)CC1 ZINC001052093516 763838206 /nfs/dbraw/zinc/83/82/06/763838206.db2.gz QOZAZQMBCDADDP-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCCNC3=O)C2)c1 ZINC001015086901 763853791 /nfs/dbraw/zinc/85/37/91/763853791.db2.gz IIFUULUHIRHCNC-INIZCTEOSA-N 1 1 341.415 0.664 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3nc4ncccn4n3)C2)CC1 ZINC001052099037 763855324 /nfs/dbraw/zinc/85/53/24/763855324.db2.gz GCIKXFIQYDEQQG-AWEZNQCLSA-N 1 1 341.419 0.142 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CCCC3)C2)C1=O ZINC001047277801 763865644 /nfs/dbraw/zinc/86/56/44/763865644.db2.gz HADNOKDQKMYSMP-JYJNAYRXSA-N 1 1 335.448 0.467 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3CCCC3)C2)C1=O ZINC001047277801 763865653 /nfs/dbraw/zinc/86/56/53/763865653.db2.gz HADNOKDQKMYSMP-JYJNAYRXSA-N 1 1 335.448 0.467 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C(C)C)nn3)C2)CC1 ZINC001052103109 763868105 /nfs/dbraw/zinc/86/81/05/763868105.db2.gz MITDKWRRUNQPIK-OAHLLOKOSA-N 1 1 332.452 0.877 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCN3CCCC3=O)C2)CC1 ZINC001052116974 763925019 /nfs/dbraw/zinc/92/50/19/763925019.db2.gz CIMHPKXEULFFLE-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121841 763943538 /nfs/dbraw/zinc/94/35/38/763943538.db2.gz IMZXINWROOZOLE-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO Cc1cnn(CCC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052122449 763946026 /nfs/dbraw/zinc/94/60/26/763946026.db2.gz TWRVQXSCNPBCCE-INIZCTEOSA-N 1 1 330.436 0.324 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C2)CC1 ZINC001052123674 763950162 /nfs/dbraw/zinc/95/01/62/763950162.db2.gz MCEFOTLTSAYSNI-HNNXBMFYSA-N 1 1 343.431 0.199 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(C)c3C3CC3)C2)CC1 ZINC001052123857 763951408 /nfs/dbraw/zinc/95/14/08/763951408.db2.gz RQMOFCWQURTRED-MRXNPFEDSA-N 1 1 341.459 0.763 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001047338354 764045985 /nfs/dbraw/zinc/04/59/85/764045985.db2.gz VKAUIVUSYHLIMJ-KCXAZCMYSA-N 1 1 332.404 0.430 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001047337968 764046685 /nfs/dbraw/zinc/04/66/85/764046685.db2.gz OCLGEPJZZGWGLC-BPUTZDHNSA-N 1 1 346.431 0.819 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)NC1=O ZINC001038599288 764053368 /nfs/dbraw/zinc/05/33/68/764053368.db2.gz ZFVMDDNCQKZTHX-GJZGRUSLSA-N 1 1 327.388 0.272 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)NC1=O ZINC001038599288 764053375 /nfs/dbraw/zinc/05/33/75/764053375.db2.gz ZFVMDDNCQKZTHX-GJZGRUSLSA-N 1 1 327.388 0.272 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CC3(C)C)C2)C1=O ZINC001047352937 764087227 /nfs/dbraw/zinc/08/72/27/764087227.db2.gz RTEUKXZEJHPWJM-QPSCCSFWSA-N 1 1 335.448 0.323 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CC3(C)C)C2)C1=O ZINC001047352937 764087233 /nfs/dbraw/zinc/08/72/33/764087233.db2.gz RTEUKXZEJHPWJM-QPSCCSFWSA-N 1 1 335.448 0.323 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnsn3)CC2)C1=O ZINC001052230659 764100044 /nfs/dbraw/zinc/10/00/44/764100044.db2.gz FQWASGJZXGUEJA-TZMCWYRMSA-N 1 1 349.460 0.909 20 30 ECEDMO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047375498 764154072 /nfs/dbraw/zinc/15/40/72/764154072.db2.gz VZLKGLSJDRLDLZ-GJZGRUSLSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047375498 764154078 /nfs/dbraw/zinc/15/40/78/764154078.db2.gz VZLKGLSJDRLDLZ-GJZGRUSLSA-N 1 1 325.372 0.599 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001047379487 764165350 /nfs/dbraw/zinc/16/53/50/764165350.db2.gz CJKSDTNGFUGPOJ-IRXDYDNUSA-N 1 1 330.432 0.358 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001047379487 764165354 /nfs/dbraw/zinc/16/53/54/764165354.db2.gz CJKSDTNGFUGPOJ-IRXDYDNUSA-N 1 1 330.432 0.358 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc([C@H](C)OC)n2)C1 ZINC001047379986 764168615 /nfs/dbraw/zinc/16/86/15/764168615.db2.gz UGTCWVNRIWJPTM-UBHSHLNASA-N 1 1 337.445 0.991 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047381387 764173226 /nfs/dbraw/zinc/17/32/26/764173226.db2.gz KFYAOXRIBGEBOS-PVAVHDDUSA-N 1 1 334.464 0.668 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001047397229 764211099 /nfs/dbraw/zinc/21/10/99/764211099.db2.gz PBOLJIYONDHBKA-STQMWFEESA-N 1 1 326.347 0.727 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001047397229 764211106 /nfs/dbraw/zinc/21/11/06/764211106.db2.gz PBOLJIYONDHBKA-STQMWFEESA-N 1 1 326.347 0.727 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c3c(nn2C)CCCC3)C1 ZINC001047397492 764211170 /nfs/dbraw/zinc/21/11/70/764211170.db2.gz UPTPRPPVHBUPSE-HOTGVXAUSA-N 1 1 330.432 0.439 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2NC(C)=O)C1 ZINC001047405844 764238937 /nfs/dbraw/zinc/23/89/37/764238937.db2.gz XVGMDZNSVPGVEQ-GJZGRUSLSA-N 1 1 330.388 0.180 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2NC(C)=O)C1 ZINC001047405844 764238942 /nfs/dbraw/zinc/23/89/42/764238942.db2.gz XVGMDZNSVPGVEQ-GJZGRUSLSA-N 1 1 330.388 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNc1ccc(C#N)nn1 ZINC001106985581 764240829 /nfs/dbraw/zinc/24/08/29/764240829.db2.gz XECQCQFHHIYBJM-HNNXBMFYSA-N 1 1 326.404 0.706 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNc1ccc(C#N)nn1 ZINC001106985581 764240836 /nfs/dbraw/zinc/24/08/36/764240836.db2.gz XECQCQFHHIYBJM-HNNXBMFYSA-N 1 1 326.404 0.706 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001047406142 764241126 /nfs/dbraw/zinc/24/11/26/764241126.db2.gz OPZWPZKDQNXDTI-GJZGRUSLSA-N 1 1 327.388 0.407 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)CC2)c[nH]1 ZINC001052318618 764242249 /nfs/dbraw/zinc/24/22/49/764242249.db2.gz BHLGWSGHLJNKNX-CQSZACIVSA-N 1 1 344.419 0.496 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001047407671 764251460 /nfs/dbraw/zinc/25/14/60/764251460.db2.gz MKJACQCECSOMAQ-HOTGVXAUSA-N 1 1 329.400 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2conc2C)C[C@@H]1O ZINC001047415334 764275344 /nfs/dbraw/zinc/27/53/44/764275344.db2.gz UOLGSCUJOVOKTC-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2conc2C)C[C@@H]1O ZINC001047415334 764275350 /nfs/dbraw/zinc/27/53/50/764275350.db2.gz UOLGSCUJOVOKTC-ULQDDVLXSA-N 1 1 346.431 0.084 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 ZINC001098785224 768206640 /nfs/dbraw/zinc/20/66/40/768206640.db2.gz QCJRDTHFHCUJDB-HZPDHXFCSA-N 1 1 345.451 0.539 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001047441360 764355185 /nfs/dbraw/zinc/35/51/85/764355185.db2.gz AOMSUAVQJATRNY-GJZGRUSLSA-N 1 1 327.388 0.775 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001047441360 764355195 /nfs/dbraw/zinc/35/51/95/764355195.db2.gz AOMSUAVQJATRNY-GJZGRUSLSA-N 1 1 327.388 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)CC2)s1 ZINC001052379756 764368896 /nfs/dbraw/zinc/36/88/96/764368896.db2.gz REZSRIIJGAULMP-GFCCVEGCSA-N 1 1 345.432 0.777 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001047448192 764376783 /nfs/dbraw/zinc/37/67/83/764376783.db2.gz MAAGAZMTUVUUDG-IRXDYDNUSA-N 1 1 331.416 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001047468594 764429017 /nfs/dbraw/zinc/42/90/17/764429017.db2.gz LFDLZUUUYXVILX-QUSNUVHPSA-N 1 1 338.448 0.508 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001047469129 764429873 /nfs/dbraw/zinc/42/98/73/764429873.db2.gz JRTGAQZZUHUKLA-KBPBESRZSA-N 1 1 341.415 0.661 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001047469129 764429877 /nfs/dbraw/zinc/42/98/77/764429877.db2.gz JRTGAQZZUHUKLA-KBPBESRZSA-N 1 1 341.415 0.661 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001047469203 764430081 /nfs/dbraw/zinc/43/00/81/764430081.db2.gz MINFYYNJCRUTNM-GJZGRUSLSA-N 1 1 345.403 0.024 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001047473572 764443831 /nfs/dbraw/zinc/44/38/31/764443831.db2.gz VIFMUUMTBUNKCH-HOTGVXAUSA-N 1 1 342.399 0.821 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001047473572 764443839 /nfs/dbraw/zinc/44/38/39/764443839.db2.gz VIFMUUMTBUNKCH-HOTGVXAUSA-N 1 1 342.399 0.821 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3nccn3)CC2)C1=O ZINC001052418035 764449816 /nfs/dbraw/zinc/44/98/16/764449816.db2.gz HYGBKOPAXMINGS-LSDHHAIUSA-N 1 1 346.435 0.036 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001047479754 764467178 /nfs/dbraw/zinc/46/71/78/764467178.db2.gz ZRUPOWVJNMGPIO-KBPBESRZSA-N 1 1 334.420 0.090 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC001052428418 764474033 /nfs/dbraw/zinc/47/40/33/764474033.db2.gz IDGRDGNIFUSXOW-CQSZACIVSA-N 1 1 334.420 0.094 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001077579574 764480553 /nfs/dbraw/zinc/48/05/53/764480553.db2.gz GTUGLRGZWOBOMX-BFHYXJOUSA-N 1 1 329.391 0.148 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001077579731 764491420 /nfs/dbraw/zinc/49/14/20/764491420.db2.gz NSBJJNUWNZNTRO-MGPQQGTHSA-N 1 1 329.391 0.148 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001077579731 764491424 /nfs/dbraw/zinc/49/14/24/764491424.db2.gz NSBJJNUWNZNTRO-MGPQQGTHSA-N 1 1 329.391 0.148 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3coc(COC)n3)C2)C1=O ZINC001032083547 764504458 /nfs/dbraw/zinc/50/44/58/764504458.db2.gz XEYFWRWWJFTNNU-AWEZNQCLSA-N 1 1 348.403 0.270 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cn(C)nn2)CC1 ZINC001052457152 764540172 /nfs/dbraw/zinc/54/01/72/764540172.db2.gz PMQRSWVGSVNBAI-WBVHZDCISA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cn(C)nn2)CC1 ZINC001052457152 764540179 /nfs/dbraw/zinc/54/01/79/764540179.db2.gz PMQRSWVGSVNBAI-WBVHZDCISA-N 1 1 344.463 0.383 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)[C@@H](O)C1 ZINC001083780616 764541180 /nfs/dbraw/zinc/54/11/80/764541180.db2.gz DWNNHUILKSHSNW-OIISXLGYSA-N 1 1 332.448 0.881 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cncc(C)c3)C2)C1=O ZINC001015409759 764555929 /nfs/dbraw/zinc/55/59/29/764555929.db2.gz UYCLXXOAKOESKF-IAGOWNOFSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3cncc(C)c3)C2)C1=O ZINC001015409759 764555934 /nfs/dbraw/zinc/55/59/34/764555934.db2.gz UYCLXXOAKOESKF-IAGOWNOFSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cncc(C)c3)C2)C1=O ZINC001015409767 764556005 /nfs/dbraw/zinc/55/60/05/764556005.db2.gz UYCLXXOAKOESKF-SJORKVTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cncc(C)c3)C2)C1=O ZINC001015409767 764556009 /nfs/dbraw/zinc/55/60/09/764556009.db2.gz UYCLXXOAKOESKF-SJORKVTESA-N 1 1 342.443 0.910 20 30 ECEDMO Cc1cccc(C)c1-n1nnnc1C[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124908379 764561054 /nfs/dbraw/zinc/56/10/54/764561054.db2.gz JJEHFBYHLQSNDV-CYBMUJFWSA-N 1 1 327.392 0.645 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2O)C1 ZINC001047519286 764572683 /nfs/dbraw/zinc/57/26/83/764572683.db2.gz CWNRXXNHNSIGMX-PMPSAXMXSA-N 1 1 348.447 0.104 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccc[nH]2)C1 ZINC000991912385 764579895 /nfs/dbraw/zinc/57/98/95/764579895.db2.gz TVFVGXKXQNONBO-XUJLQICISA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccc[nH]2)C1 ZINC000991912385 764579898 /nfs/dbraw/zinc/57/98/98/764579898.db2.gz TVFVGXKXQNONBO-XUJLQICISA-N 1 1 328.416 0.737 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2ncn3C)C1 ZINC001047525074 764590477 /nfs/dbraw/zinc/59/04/77/764590477.db2.gz MCMLKVYYSWECKQ-KBPBESRZSA-N 1 1 329.404 0.662 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001047528959 764605867 /nfs/dbraw/zinc/60/58/67/764605867.db2.gz LALAUBRWHDYJST-IRXDYDNUSA-N 1 1 346.431 0.411 20 30 ECEDMO C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001047529173 764608003 /nfs/dbraw/zinc/60/80/03/764608003.db2.gz SPXBQXZPGLNJLT-HOTGVXAUSA-N 1 1 332.404 0.021 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1CCOCC1 ZINC001089875556 764610269 /nfs/dbraw/zinc/61/02/69/764610269.db2.gz MVZULCVRFMFPMR-MANSERQUSA-N 1 1 345.487 0.901 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CC(=O)NC1=O ZINC001089879254 764633116 /nfs/dbraw/zinc/63/31/16/764633116.db2.gz ZYZZYFFRBDFGJC-XGUBFFRZSA-N 1 1 346.431 0.283 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001047547975 764657506 /nfs/dbraw/zinc/65/75/06/764657506.db2.gz KLCZSBNVTZOFTE-KBPBESRZSA-N 1 1 348.378 0.457 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001047547975 764657514 /nfs/dbraw/zinc/65/75/14/764657514.db2.gz KLCZSBNVTZOFTE-KBPBESRZSA-N 1 1 348.378 0.457 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001047554222 764680288 /nfs/dbraw/zinc/68/02/88/764680288.db2.gz PCXDDGVDWSXTRZ-UWVGGRQHSA-N 1 1 347.341 0.527 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001047554222 764680292 /nfs/dbraw/zinc/68/02/92/764680292.db2.gz PCXDDGVDWSXTRZ-UWVGGRQHSA-N 1 1 347.341 0.527 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cccnn32)C1 ZINC001047556664 764686857 /nfs/dbraw/zinc/68/68/57/764686857.db2.gz UOOVTFYGUSTOIU-GJZGRUSLSA-N 1 1 329.404 0.813 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)N(C)C ZINC001099074325 764690481 /nfs/dbraw/zinc/69/04/81/764690481.db2.gz KIIMIFSXZRLYGD-OAHLLOKOSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)N(C)C ZINC001099074325 764690485 /nfs/dbraw/zinc/69/04/85/764690485.db2.gz KIIMIFSXZRLYGD-OAHLLOKOSA-N 1 1 337.464 0.721 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001052536612 764712940 /nfs/dbraw/zinc/71/29/40/764712940.db2.gz GOBMNVMFRLDQEO-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001052536612 764712942 /nfs/dbraw/zinc/71/29/42/764712942.db2.gz GOBMNVMFRLDQEO-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001052539872 764717854 /nfs/dbraw/zinc/71/78/54/764717854.db2.gz STUORTPOQMPSOR-LSDHHAIUSA-N 1 1 326.462 0.805 20 30 ECEDMO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047579767 764759995 /nfs/dbraw/zinc/75/99/95/764759995.db2.gz UHUNGIFXSVJHJH-HOTGVXAUSA-N 1 1 339.399 0.528 20 30 ECEDMO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047579767 764760005 /nfs/dbraw/zinc/76/00/05/764760005.db2.gz UHUNGIFXSVJHJH-HOTGVXAUSA-N 1 1 339.399 0.528 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001047581033 764764390 /nfs/dbraw/zinc/76/43/90/764764390.db2.gz GWQUBKPEOAFSTB-KBPBESRZSA-N 1 1 330.413 0.889 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001047581033 764764397 /nfs/dbraw/zinc/76/43/97/764764397.db2.gz GWQUBKPEOAFSTB-KBPBESRZSA-N 1 1 330.413 0.889 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2nc(C)ccc2=O)C1 ZINC001089887863 764774476 /nfs/dbraw/zinc/77/44/76/764774476.db2.gz BDXQMKNBJWRFHZ-QAETUUGQSA-N 1 1 340.427 0.354 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC001089021159 764783609 /nfs/dbraw/zinc/78/36/09/764783609.db2.gz YKUPRKQYBXYBAV-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC1=O ZINC001015502244 764813765 /nfs/dbraw/zinc/81/37/65/764813765.db2.gz DSTOANJTFRXBDW-JKSUJKDBSA-N 1 1 329.375 0.504 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC1=O ZINC001015502244 764813770 /nfs/dbraw/zinc/81/37/70/764813770.db2.gz DSTOANJTFRXBDW-JKSUJKDBSA-N 1 1 329.375 0.504 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ncccc3OC)C2)C1=O ZINC001032152570 764814469 /nfs/dbraw/zinc/81/44/69/764814469.db2.gz ZWVLQRCUPQPKGA-CQSZACIVSA-N 1 1 344.415 0.539 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001052599850 764829683 /nfs/dbraw/zinc/82/96/83/764829683.db2.gz PWHNQUYFDMSKJD-JKSUJKDBSA-N 1 1 337.464 0.579 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001015513177 764844840 /nfs/dbraw/zinc/84/48/40/764844840.db2.gz BJGVLDKTVBVAST-HUUCEWRRSA-N 1 1 327.388 0.272 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001047613949 764882650 /nfs/dbraw/zinc/88/26/50/764882650.db2.gz REMDZKYWFITEGP-QWRGUYRKSA-N 1 1 332.326 0.742 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001047613949 764882660 /nfs/dbraw/zinc/88/26/60/764882660.db2.gz REMDZKYWFITEGP-QWRGUYRKSA-N 1 1 332.326 0.742 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC001047617838 764895338 /nfs/dbraw/zinc/89/53/38/764895338.db2.gz BMZWYAIWACHREF-HOTGVXAUSA-N 1 1 344.411 0.527 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC001047617838 764895343 /nfs/dbraw/zinc/89/53/43/764895343.db2.gz BMZWYAIWACHREF-HOTGVXAUSA-N 1 1 344.411 0.527 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001047618375 764897550 /nfs/dbraw/zinc/89/75/50/764897550.db2.gz DDSCWIDWBYFURW-GJZGRUSLSA-N 1 1 330.388 0.318 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001047618375 764897557 /nfs/dbraw/zinc/89/75/57/764897557.db2.gz DDSCWIDWBYFURW-GJZGRUSLSA-N 1 1 330.388 0.318 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001047618655 764897643 /nfs/dbraw/zinc/89/76/43/764897643.db2.gz JLNWQKZZNQIBLF-ZQIUZPCESA-N 1 1 332.400 0.906 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC001047619444 764900423 /nfs/dbraw/zinc/90/04/23/764900423.db2.gz OIHYHFBJNFKXFN-RYUDHWBXSA-N 1 1 344.337 0.429 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC001047619444 764900429 /nfs/dbraw/zinc/90/04/29/764900429.db2.gz OIHYHFBJNFKXFN-RYUDHWBXSA-N 1 1 344.337 0.429 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)CSCC#N)[C@H](C)C1 ZINC001052642075 764919460 /nfs/dbraw/zinc/91/94/60/764919460.db2.gz OWKXGWPQVZZUSZ-TZMCWYRMSA-N 1 1 349.460 0.659 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1=O ZINC001015544353 764921585 /nfs/dbraw/zinc/92/15/85/764921585.db2.gz DROQXFVVFYHLCP-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001052643218 764922427 /nfs/dbraw/zinc/92/24/27/764922427.db2.gz XMOYKUGQKOBEOE-ZFWWWQNUSA-N 1 1 334.420 0.605 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001015553498 764948594 /nfs/dbraw/zinc/94/85/94/764948594.db2.gz YLXMYTJERNNNGZ-KBPBESRZSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001015553498 764948600 /nfs/dbraw/zinc/94/86/00/764948600.db2.gz YLXMYTJERNNNGZ-KBPBESRZSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(-n4cnnn4)cn3)CCC[C@H]12 ZINC000991978028 765034782 /nfs/dbraw/zinc/03/47/82/765034782.db2.gz WDSISNNWHNYFIR-DOTOQJQBSA-N 1 1 339.403 0.970 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001052760465 765076084 /nfs/dbraw/zinc/07/60/84/765076084.db2.gz GNXCUANTNWCTTJ-AWEZNQCLSA-N 1 1 344.419 0.438 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCn3cccn3)CC2)nn1 ZINC001052775429 765099192 /nfs/dbraw/zinc/09/91/92/765099192.db2.gz TUTVYTRMNBUKEV-HNNXBMFYSA-N 1 1 343.435 0.945 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)CC2)nn1 ZINC001052777139 765101963 /nfs/dbraw/zinc/10/19/63/765101963.db2.gz BCEHHPYKGRJYGU-DZGCQCFKSA-N 1 1 346.435 0.327 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CSCC#N)C1 ZINC001052781621 765107822 /nfs/dbraw/zinc/10/78/22/765107822.db2.gz AZRLVHQHGRYMJT-KGLIPLIRSA-N 1 1 340.493 0.794 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000992006170 765132214 /nfs/dbraw/zinc/13/22/14/765132214.db2.gz QNBIMZMKYBEBTD-DNOWBOINSA-N 1 1 343.431 0.853 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001015676891 765149135 /nfs/dbraw/zinc/14/91/35/765149135.db2.gz QCMPNEHPTLUGJN-ZIAGYGMSSA-N 1 1 326.462 0.968 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001015676891 765149141 /nfs/dbraw/zinc/14/91/41/765149141.db2.gz QCMPNEHPTLUGJN-ZIAGYGMSSA-N 1 1 326.462 0.968 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(CC=C)C3=O)C2)c1 ZINC001015679296 765150683 /nfs/dbraw/zinc/15/06/83/765150683.db2.gz YSVARYLDTMUPRH-IAGOWNOFSA-N 1 1 338.411 0.654 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(CC=C)C3=O)C2)c1 ZINC001015679296 765150686 /nfs/dbraw/zinc/15/06/86/765150686.db2.gz YSVARYLDTMUPRH-IAGOWNOFSA-N 1 1 338.411 0.654 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnon3)CC2)C1=O ZINC001052807812 765159655 /nfs/dbraw/zinc/15/96/55/765159655.db2.gz XNIWXTFVSURKTF-OCCSQVGLSA-N 1 1 333.392 0.441 20 30 ECEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015706397 765198776 /nfs/dbraw/zinc/19/87/76/765198776.db2.gz GYFQHIKGDRCMOY-OKZBNKHCSA-N 1 1 339.439 0.953 20 30 ECEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015706397 765198780 /nfs/dbraw/zinc/19/87/80/765198780.db2.gz GYFQHIKGDRCMOY-OKZBNKHCSA-N 1 1 339.439 0.953 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)CC2)nc1 ZINC001052876655 765279118 /nfs/dbraw/zinc/27/91/18/765279118.db2.gz YPONLRBZSZFSKH-OAHLLOKOSA-N 1 1 340.427 0.926 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)cn1 ZINC001052879527 765288103 /nfs/dbraw/zinc/28/81/03/765288103.db2.gz ZKJNNYJXPNTKBW-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cncnc2)C1 ZINC000992056996 765309462 /nfs/dbraw/zinc/30/94/62/765309462.db2.gz WUIIWIZWPHYXGF-BCLQGDPASA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cncnc2)C1 ZINC000992056996 765309467 /nfs/dbraw/zinc/30/94/67/765309467.db2.gz WUIIWIZWPHYXGF-BCLQGDPASA-N 1 1 341.415 0.199 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cncn3)CC2)C1=O ZINC001052918199 765342676 /nfs/dbraw/zinc/34/26/76/765342676.db2.gz PZUXHEYZTROTPT-CABCVRRESA-N 1 1 346.435 0.036 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H](CC)C(N)=O)C2)cc1 ZINC001015808707 765366100 /nfs/dbraw/zinc/36/61/00/765366100.db2.gz CBEBSKKJZJANNC-GDBMZVCRSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](CC)C(N)=O)C2)cc1 ZINC001015808707 765366108 /nfs/dbraw/zinc/36/61/08/765366108.db2.gz CBEBSKKJZJANNC-GDBMZVCRSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001015822238 765385225 /nfs/dbraw/zinc/38/52/25/765385225.db2.gz GDQQPTLGNWRHKU-XYJFISCASA-N 1 1 340.427 0.815 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001015822569 765385989 /nfs/dbraw/zinc/38/59/89/765385989.db2.gz JEAOLVDIZBZISD-SOLBZPMBSA-N 1 1 340.427 0.815 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001015828394 765390512 /nfs/dbraw/zinc/39/05/12/765390512.db2.gz GDJXBBBLUCZTTJ-VYDXJSESSA-N 1 1 335.448 0.781 20 30 ECEDMO CN(CCOCCNc1cncc(C#N)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001127232772 765462455 /nfs/dbraw/zinc/46/24/55/765462455.db2.gz JEAHKDIOHFMHCV-AWEZNQCLSA-N 1 1 332.408 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001053008905 765481722 /nfs/dbraw/zinc/48/17/22/765481722.db2.gz UBLXNIRBXSCPOF-HUUCEWRRSA-N 1 1 326.462 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001053008905 765481728 /nfs/dbraw/zinc/48/17/28/765481728.db2.gz UBLXNIRBXSCPOF-HUUCEWRRSA-N 1 1 326.462 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCOCC3)C2)C1 ZINC001053015070 765488214 /nfs/dbraw/zinc/48/82/14/765488214.db2.gz GQDPBIJDAQJDLQ-MSOLQXFVSA-N 1 1 333.476 0.902 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001077492504 765537507 /nfs/dbraw/zinc/53/75/07/765537507.db2.gz NHVQBCKHARYABT-CHWSQXEVSA-N 1 1 332.404 0.412 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001077492504 765537512 /nfs/dbraw/zinc/53/75/12/765537512.db2.gz NHVQBCKHARYABT-CHWSQXEVSA-N 1 1 332.404 0.412 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001053091037 765566182 /nfs/dbraw/zinc/56/61/82/765566182.db2.gz KKGSYXOYQDKVDA-CVEARBPZSA-N 1 1 345.447 0.308 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001053093499 765569879 /nfs/dbraw/zinc/56/98/79/765569879.db2.gz NSVNMIBURDSDQU-IRXDYDNUSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nnn(C)c4C3)CCC[C@@H]12 ZINC000992128810 765583759 /nfs/dbraw/zinc/58/37/59/765583759.db2.gz YHGNUANGKQUCSO-FDQGKXFDSA-N 1 1 327.432 0.666 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001015956635 765608205 /nfs/dbraw/zinc/60/82/05/765608205.db2.gz FLISSAIJZZUNGG-AWEZNQCLSA-N 1 1 333.436 0.538 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)cc1 ZINC001015966947 765634014 /nfs/dbraw/zinc/63/40/14/765634014.db2.gz BXOLYGXZVCIHRZ-CQSZACIVSA-N 1 1 340.387 0.640 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3nnc[nH]3)C2)cc1 ZINC001015966947 765634019 /nfs/dbraw/zinc/63/40/19/765634019.db2.gz BXOLYGXZVCIHRZ-CQSZACIVSA-N 1 1 340.387 0.640 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3nnc[nH]3)C2)cc1 ZINC001015966947 765634024 /nfs/dbraw/zinc/63/40/24/765634024.db2.gz BXOLYGXZVCIHRZ-CQSZACIVSA-N 1 1 340.387 0.640 20 30 ECEDMO C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)c1cc(C#N)c[nH]1 ZINC001077495602 765640982 /nfs/dbraw/zinc/64/09/82/765640982.db2.gz LVPDREANXHGRRF-QWHCGFSZSA-N 1 1 331.420 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001015978552 765656712 /nfs/dbraw/zinc/65/67/12/765656712.db2.gz WFUHEJLIOFGGBG-ZOBUZTSGSA-N 1 1 344.459 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001015978552 765656715 /nfs/dbraw/zinc/65/67/15/765656715.db2.gz WFUHEJLIOFGGBG-ZOBUZTSGSA-N 1 1 344.459 0.987 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001016021280 765726660 /nfs/dbraw/zinc/72/66/60/765726660.db2.gz XVGYUECNBKKABK-LSDHHAIUSA-N 1 1 329.400 0.934 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001016032492 765734140 /nfs/dbraw/zinc/73/41/40/765734140.db2.gz ASBKPKVZWGMCQV-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC001016032492 765734144 /nfs/dbraw/zinc/73/41/44/765734144.db2.gz ASBKPKVZWGMCQV-JKSUJKDBSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C2)cn1 ZINC001016035486 765736419 /nfs/dbraw/zinc/73/64/19/765736419.db2.gz WCAYNIXNJIBUAB-IRXDYDNUSA-N 1 1 340.427 0.876 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C2)cn1 ZINC001016035486 765736422 /nfs/dbraw/zinc/73/64/22/765736422.db2.gz WCAYNIXNJIBUAB-IRXDYDNUSA-N 1 1 340.427 0.876 20 30 ECEDMO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1CCN1CCNC1=O ZINC000993173092 768316920 /nfs/dbraw/zinc/31/69/20/768316920.db2.gz TWSLCHKJEQRNKA-GXTWGEPZSA-N 1 1 344.419 0.494 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cn3nnc4c3CCCC4)CCC[C@@H]12 ZINC000992174789 765772932 /nfs/dbraw/zinc/77/29/32/765772932.db2.gz SQFMYSPERQCVFW-SJLPKXTDSA-N 1 1 327.432 0.903 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@H]12 ZINC000992175961 765775107 /nfs/dbraw/zinc/77/51/07/765775107.db2.gz VNMOUYJTJWFPJP-RSUWNVLCSA-N 1 1 341.839 0.885 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@H]12 ZINC000992175961 765775114 /nfs/dbraw/zinc/77/51/14/765775114.db2.gz VNMOUYJTJWFPJP-RSUWNVLCSA-N 1 1 341.839 0.885 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001016113043 765797955 /nfs/dbraw/zinc/79/79/55/765797955.db2.gz GLVRNSOEWAVVDH-PBHICJAKSA-N 1 1 327.428 0.878 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001016113043 765797960 /nfs/dbraw/zinc/79/79/60/765797960.db2.gz GLVRNSOEWAVVDH-PBHICJAKSA-N 1 1 327.428 0.878 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H](O)CNc1ccncc1C#N)CC(C)(C)C ZINC001106107753 765837731 /nfs/dbraw/zinc/83/77/31/765837731.db2.gz DBDOUUZSBSRIJM-CQSZACIVSA-N 1 1 333.436 0.242 20 30 ECEDMO Cc1cc(NC[C@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)c(C#N)cn1 ZINC001106108534 765851593 /nfs/dbraw/zinc/85/15/93/765851593.db2.gz KFWGHPCBSATCNH-ZFWWWQNUSA-N 1 1 331.420 0.057 20 30 ECEDMO Cc1cc(NC[C@@H](O)CNC(=O)C[N@@H+]2CCC[C@H]2C)c(C#N)cn1 ZINC001106108533 765851664 /nfs/dbraw/zinc/85/16/64/765851664.db2.gz KFWGHPCBSATCNH-UKRRQHHQSA-N 1 1 331.420 0.057 20 30 ECEDMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)n[nH]1 ZINC001053263561 765865345 /nfs/dbraw/zinc/86/53/45/765865345.db2.gz PBXMKUPGJOUAGH-HNNXBMFYSA-N 1 1 344.419 0.227 20 30 ECEDMO C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)n[nH]1 ZINC001053263561 765865351 /nfs/dbraw/zinc/86/53/51/765865351.db2.gz PBXMKUPGJOUAGH-HNNXBMFYSA-N 1 1 344.419 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cc[nH]c2)C1 ZINC000992205227 765885139 /nfs/dbraw/zinc/88/51/39/765885139.db2.gz DVFVEJBTAHCZTP-BCLQGDPASA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2cc[nH]c2)C1 ZINC000992205227 765885148 /nfs/dbraw/zinc/88/51/48/765885148.db2.gz DVFVEJBTAHCZTP-BCLQGDPASA-N 1 1 328.416 0.737 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCC(=O)NC1)CCO2 ZINC001053284473 765902452 /nfs/dbraw/zinc/90/24/52/765902452.db2.gz DNLVWERMNKFAIS-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCCc3[nH+]ccn31)CCO2 ZINC001053286526 765908624 /nfs/dbraw/zinc/90/86/24/765908624.db2.gz COIURNKHJPGQNW-OAHLLOKOSA-N 1 1 328.416 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C/C=C/Cl)C2)C1 ZINC001053291208 765919989 /nfs/dbraw/zinc/91/99/89/765919989.db2.gz CXTLVXPTGOJJQV-DRDHIDPGSA-N 1 1 337.851 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C/C=C/Cl)C2)C1 ZINC001053291208 765919994 /nfs/dbraw/zinc/91/99/94/765919994.db2.gz CXTLVXPTGOJJQV-DRDHIDPGSA-N 1 1 337.851 0.750 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cn3c(n1)COCC3)CCO2 ZINC001053307642 765944109 /nfs/dbraw/zinc/94/41/09/765944109.db2.gz BVVNOVHOWSNWHF-UHFFFAOYSA-N 1 1 346.431 0.906 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc(F)c[nH]2)C1 ZINC000992236132 766011874 /nfs/dbraw/zinc/01/18/74/766011874.db2.gz MCFYQTVBXRPEIS-PXCJXSSVSA-N 1 1 346.406 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc(F)c[nH]2)C1 ZINC000992236132 766011880 /nfs/dbraw/zinc/01/18/80/766011880.db2.gz MCFYQTVBXRPEIS-PXCJXSSVSA-N 1 1 346.406 0.876 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001017741237 768340255 /nfs/dbraw/zinc/34/02/55/768340255.db2.gz SBIKPHBMAHSDEC-QXSJWSMHSA-N 1 1 333.432 0.498 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001017741237 768340261 /nfs/dbraw/zinc/34/02/61/768340261.db2.gz SBIKPHBMAHSDEC-QXSJWSMHSA-N 1 1 333.432 0.498 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ncoc2C)C1 ZINC001016300666 766071312 /nfs/dbraw/zinc/07/13/12/766071312.db2.gz RMJZVEPMHUOVHK-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2ncoc2C)C1 ZINC001016300666 766071318 /nfs/dbraw/zinc/07/13/18/766071318.db2.gz RMJZVEPMHUOVHK-NRXISQOPSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cnco2)C1 ZINC000992256890 766077869 /nfs/dbraw/zinc/07/78/69/766077869.db2.gz WJEOILYCSIXELP-RUXDESIVSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2cnco2)C1 ZINC000992256890 766077876 /nfs/dbraw/zinc/07/78/76/766077876.db2.gz WJEOILYCSIXELP-RUXDESIVSA-N 1 1 330.388 0.397 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000992265626 766102012 /nfs/dbraw/zinc/10/20/12/766102012.db2.gz AVRSLRMYLIGAKM-GULBITTBSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)[C@@H](O)C1 ZINC001083685645 766175339 /nfs/dbraw/zinc/17/53/39/766175339.db2.gz DWFCAKBGGDCDKG-CABCVRRESA-N 1 1 327.388 0.075 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cncn3)nc2)[C@@H](O)C1 ZINC001083685983 766195281 /nfs/dbraw/zinc/19/52/81/766195281.db2.gz VXGQMFCQXCFBED-KGLIPLIRSA-N 1 1 328.376 0.013 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 ZINC000992301541 766202465 /nfs/dbraw/zinc/20/24/65/766202465.db2.gz ZXEFPWKKJHELMB-AHIWAGSCSA-N 1 1 334.420 0.664 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3nnnc3C(C)C)CCC[C@@H]12 ZINC000992306815 766221935 /nfs/dbraw/zinc/22/19/35/766221935.db2.gz QPPGHQVKCDNOID-PBHICJAKSA-N 1 1 330.436 0.933 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCN(C)S3(=O)=O)CCC[C@@H]12 ZINC000992312257 766237098 /nfs/dbraw/zinc/23/70/98/766237098.db2.gz PANMKNWFMALFLM-GZBFAFLISA-N 1 1 327.450 0.320 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=O)NC)CC3)nn1 ZINC000992313261 766239948 /nfs/dbraw/zinc/23/99/48/766239948.db2.gz CSIHYJMOYSBIGM-WMLDXEAASA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)NC)CC3)nn1 ZINC000992313261 766239953 /nfs/dbraw/zinc/23/99/53/766239953.db2.gz CSIHYJMOYSBIGM-WMLDXEAASA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H](C)C(N)=O)CC3)nn1 ZINC000992313581 766240142 /nfs/dbraw/zinc/24/01/42/766240142.db2.gz DKWMPTBMOUKDIS-QEORTHHSSA-N 1 1 346.435 0.455 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@@H](C)C(N)=O)CC3)nn1 ZINC000992313581 766240145 /nfs/dbraw/zinc/24/01/45/766240145.db2.gz DKWMPTBMOUKDIS-QEORTHHSSA-N 1 1 346.435 0.455 20 30 ECEDMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001077514654 766250207 /nfs/dbraw/zinc/25/02/07/766250207.db2.gz PEGALNPYXIPNKR-BASLNEPJSA-N 1 1 329.400 0.906 20 30 ECEDMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001077514654 766250208 /nfs/dbraw/zinc/25/02/08/766250208.db2.gz PEGALNPYXIPNKR-BASLNEPJSA-N 1 1 329.400 0.906 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106125977 766266925 /nfs/dbraw/zinc/26/69/25/766266925.db2.gz FPXRPJGDHLXPJZ-HNNXBMFYSA-N 1 1 342.403 0.862 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001045777844 766358757 /nfs/dbraw/zinc/35/87/57/766358757.db2.gz PFDQESPCJCGCJG-RHSMWYFYSA-N 1 1 337.464 0.620 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001045786113 766371211 /nfs/dbraw/zinc/37/12/11/766371211.db2.gz ZFRHKKRQKUDZRU-MRXNPFEDSA-N 1 1 334.420 0.483 20 30 ECEDMO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001077555389 766404952 /nfs/dbraw/zinc/40/49/52/766404952.db2.gz MIYIDASZKULPSI-KZNAEPCWSA-N 1 1 333.476 0.968 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc(N(C)C)cn1)O2 ZINC001053600963 766408378 /nfs/dbraw/zinc/40/83/78/766408378.db2.gz WVCBVUHDEKCOCU-CQSZACIVSA-N 1 1 343.431 0.529 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc3ncnn31)O2 ZINC001053627258 766471969 /nfs/dbraw/zinc/47/19/69/766471969.db2.gz RYFBZWNEIDCORI-CQSZACIVSA-N 1 1 339.399 0.716 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3nnnn3c1)O2 ZINC001053628391 766474042 /nfs/dbraw/zinc/47/40/42/766474042.db2.gz MTFHCLFOJWETHU-CQSZACIVSA-N 1 1 340.387 0.111 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)CC1 ZINC001045895480 766477729 /nfs/dbraw/zinc/47/77/29/766477729.db2.gz HZTWKSPSWQCQPM-MSOLQXFVSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCCO)CC1 ZINC001045895480 766477734 /nfs/dbraw/zinc/47/77/34/766477734.db2.gz HZTWKSPSWQCQPM-MSOLQXFVSA-N 1 1 333.476 0.779 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC(=O)NC)CC1 ZINC001045896194 766477918 /nfs/dbraw/zinc/47/79/18/766477918.db2.gz XAVVNRVFWMOPTE-SJORKVTESA-N 1 1 346.475 0.143 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn(CCOC)n1)O2 ZINC001053631088 766478252 /nfs/dbraw/zinc/47/82/52/766478252.db2.gz QZMZLUCFHUULCA-OAHLLOKOSA-N 1 1 346.431 0.516 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCOCC1=O)C2 ZINC001045943880 766514557 /nfs/dbraw/zinc/51/45/57/766514557.db2.gz QNCONLFXXKEZHB-GOSISDBHSA-N 1 1 335.448 0.736 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C2CC(NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC001016578578 766529252 /nfs/dbraw/zinc/52/92/52/766529252.db2.gz FBVKDYPZCUQBLG-MLVVQWTHSA-N 1 1 343.431 0.946 20 30 ECEDMO Cn1cc(C[NH+]2CCC3(C[C@@H]3NC(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC001016588838 766548429 /nfs/dbraw/zinc/54/84/29/766548429.db2.gz RQJOORPMDXTAAW-HNNXBMFYSA-N 1 1 339.403 0.799 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@@H]12 ZINC000992428769 766549847 /nfs/dbraw/zinc/54/98/47/766549847.db2.gz LVYMJAUIZDYHCI-DYVFJYSZSA-N 1 1 342.403 0.721 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001045980497 766552055 /nfs/dbraw/zinc/55/20/55/766552055.db2.gz ZXVFKJXXMXKDDA-GOSISDBHSA-N 1 1 348.447 0.771 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001045982777 766553688 /nfs/dbraw/zinc/55/36/88/766553688.db2.gz FPNCCLJWYGQPGJ-KSSFIOAISA-N 1 1 348.447 0.865 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccnn3C(C)C)C2)C1=O ZINC001031698654 766578439 /nfs/dbraw/zinc/57/84/39/766578439.db2.gz QNUOZWPEVDBTCV-MRXNPFEDSA-N 1 1 345.447 0.913 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1OC ZINC001212257432 766589287 /nfs/dbraw/zinc/58/92/87/766589287.db2.gz BTASBKZXIFZCDT-USXIJHARSA-N 1 1 331.416 0.744 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1OC ZINC001212257432 766589289 /nfs/dbraw/zinc/58/92/89/766589289.db2.gz BTASBKZXIFZCDT-USXIJHARSA-N 1 1 331.416 0.744 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1OC ZINC001212257857 766595026 /nfs/dbraw/zinc/59/50/26/766595026.db2.gz JTFKJWKSKVJMKV-DJIMGWMZSA-N 1 1 331.416 0.744 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1OC ZINC001212257857 766595029 /nfs/dbraw/zinc/59/50/29/766595029.db2.gz JTFKJWKSKVJMKV-DJIMGWMZSA-N 1 1 331.416 0.744 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc[nH]c2)C1 ZINC001016613334 766597513 /nfs/dbraw/zinc/59/75/13/766597513.db2.gz KEXUEZZGBKYWPM-GPANFISMSA-N 1 1 328.416 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2cc[nH]c2)C1 ZINC001016613334 766597517 /nfs/dbraw/zinc/59/75/17/766597517.db2.gz KEXUEZZGBKYWPM-GPANFISMSA-N 1 1 328.416 0.832 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1OC ZINC001212257566 766598660 /nfs/dbraw/zinc/59/86/60/766598660.db2.gz FGBAABVJXZLPPM-MGPQQGTHSA-N 1 1 337.445 0.805 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1OC ZINC001212257566 766598667 /nfs/dbraw/zinc/59/86/67/766598667.db2.gz FGBAABVJXZLPPM-MGPQQGTHSA-N 1 1 337.445 0.805 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 ZINC001046000310 766599943 /nfs/dbraw/zinc/59/99/43/766599943.db2.gz PGFSTEGXIUTYMK-QGZVFWFLSA-N 1 1 328.416 0.175 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1OC ZINC001212258587 766610240 /nfs/dbraw/zinc/61/02/40/766610240.db2.gz WTJZGWZFWQSTOO-QZTJIDSGSA-N 1 1 346.427 0.921 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2C)C1 ZINC001041998230 782574000 /nfs/dbraw/zinc/57/40/00/782574000.db2.gz FCMRBDRSAARHME-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2C)C1 ZINC001041998230 782574004 /nfs/dbraw/zinc/57/40/04/782574004.db2.gz FCMRBDRSAARHME-BPLDGKMQSA-N 1 1 344.419 0.010 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12 ZINC000992466952 766644228 /nfs/dbraw/zinc/64/42/28/766644228.db2.gz SSJLMGJDIGQRBE-CXAGYDPISA-N 1 1 334.420 0.570 20 30 ECEDMO CCN1C[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)CC1=O ZINC001031709786 766666513 /nfs/dbraw/zinc/66/65/13/766666513.db2.gz SMGPGNIYVQNNNU-GOSISDBHSA-N 1 1 339.439 0.955 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 ZINC001046022111 766668584 /nfs/dbraw/zinc/66/85/84/766668584.db2.gz LKWHCELTEFULHG-HOTGVXAUSA-N 1 1 332.452 0.634 20 30 ECEDMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083701689 766674436 /nfs/dbraw/zinc/67/44/36/766674436.db2.gz PEGALNPYXIPNKR-YYQUZTFQSA-N 1 1 329.400 0.906 20 30 ECEDMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083701689 766674446 /nfs/dbraw/zinc/67/44/46/766674446.db2.gz PEGALNPYXIPNKR-YYQUZTFQSA-N 1 1 329.400 0.906 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3ccnn3)CC2)C1 ZINC001046024159 766675210 /nfs/dbraw/zinc/67/52/10/766675210.db2.gz GQBUETQEARYOJK-MRXNPFEDSA-N 1 1 332.452 0.463 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992483994 766686273 /nfs/dbraw/zinc/68/62/73/766686273.db2.gz ZKYVBWNHYRAPMB-GUYCJALGSA-N 1 1 332.404 0.789 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccnc(F)c2)C1 ZINC000994750446 766686333 /nfs/dbraw/zinc/68/63/33/766686333.db2.gz IOGFLBMYLUBYQQ-AWEZNQCLSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccnc(F)c2)C1 ZINC000994750446 766686340 /nfs/dbraw/zinc/68/63/40/766686340.db2.gz IOGFLBMYLUBYQQ-AWEZNQCLSA-N 1 1 330.363 0.259 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1OC ZINC001212262478 766688331 /nfs/dbraw/zinc/68/83/31/766688331.db2.gz PLLSGIXEJNXNEG-BRWVUGGUSA-N 1 1 338.448 0.658 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 ZINC001046027939 766688992 /nfs/dbraw/zinc/68/89/92/766688992.db2.gz UADRPMNZTNKUHP-DLBZAZTESA-N 1 1 335.448 0.034 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccoc2Cl)C1 ZINC000994749267 766690920 /nfs/dbraw/zinc/69/09/20/766690920.db2.gz AKNAAMVGZTVOGY-ZDUSSCGKSA-N 1 1 335.791 0.971 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccoc2Cl)C1 ZINC000994749267 766690925 /nfs/dbraw/zinc/69/09/25/766690925.db2.gz AKNAAMVGZTVOGY-ZDUSSCGKSA-N 1 1 335.791 0.971 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1OC ZINC001212262599 766690955 /nfs/dbraw/zinc/69/09/55/766690955.db2.gz UFMMPDMTXCDBDC-IAGOWNOFSA-N 1 1 348.447 0.301 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC000994749817 766692161 /nfs/dbraw/zinc/69/21/61/766692161.db2.gz DNAHPOCYFNNLJB-MSOLQXFVSA-N 1 1 337.423 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC000994749817 766692165 /nfs/dbraw/zinc/69/21/65/766692165.db2.gz DNAHPOCYFNNLJB-MSOLQXFVSA-N 1 1 337.423 0.751 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C4CCC4)nn3)CC2)C1 ZINC001046030381 766696344 /nfs/dbraw/zinc/69/63/44/766696344.db2.gz PWBNGGILOAVCHD-MRXNPFEDSA-N 1 1 342.447 0.468 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2c[nH]cn2)C1 ZINC001016670046 766698661 /nfs/dbraw/zinc/69/86/61/766698661.db2.gz HBRXGHLYLIKHOZ-BCLQGDPASA-N 1 1 343.431 0.155 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2c[nH]cn2)C1 ZINC001016670046 766698664 /nfs/dbraw/zinc/69/86/64/766698664.db2.gz HBRXGHLYLIKHOZ-BCLQGDPASA-N 1 1 343.431 0.155 20 30 ECEDMO CCN(c1nc(C)cc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089624426 766701150 /nfs/dbraw/zinc/70/11/50/766701150.db2.gz AVJUMZOCQLFQAH-UKRRQHHQSA-N 1 1 346.435 0.318 20 30 ECEDMO CCN(c1nc(C)cc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089624426 766701160 /nfs/dbraw/zinc/70/11/60/766701160.db2.gz AVJUMZOCQLFQAH-UKRRQHHQSA-N 1 1 346.435 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CCN(Cc1cnon1)CC2 ZINC001016671808 766703456 /nfs/dbraw/zinc/70/34/56/766703456.db2.gz ZRGDMPMDRIONKT-HOTGVXAUSA-N 1 1 343.431 0.638 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CCN(Cc1cnon1)CC2 ZINC001016671808 766703460 /nfs/dbraw/zinc/70/34/60/766703460.db2.gz ZRGDMPMDRIONKT-HOTGVXAUSA-N 1 1 343.431 0.638 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncc4nc[nH]c43)CC2)C1 ZINC001046032072 766704620 /nfs/dbraw/zinc/70/46/20/766704620.db2.gz ZNTYNBTYVTZBHQ-CQSZACIVSA-N 1 1 338.415 0.423 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]cc4ncnc3-4)CC2)C1 ZINC001046032072 766704627 /nfs/dbraw/zinc/70/46/27/766704627.db2.gz ZNTYNBTYVTZBHQ-CQSZACIVSA-N 1 1 338.415 0.423 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]cc4ncnc3-4)CC2)C1 ZINC001046032072 766704632 /nfs/dbraw/zinc/70/46/32/766704632.db2.gz ZNTYNBTYVTZBHQ-CQSZACIVSA-N 1 1 338.415 0.423 20 30 ECEDMO CCN1C[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)CC1=O ZINC001031713242 766709847 /nfs/dbraw/zinc/70/98/47/766709847.db2.gz RVTRLQNKOGNHPI-KRWDZBQOSA-N 1 1 340.427 0.975 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C(C)C)no2)C1 ZINC000994753479 766710951 /nfs/dbraw/zinc/71/09/51/766710951.db2.gz GQZNXWBWNCIPHA-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C(C)C)no2)C1 ZINC000994753479 766710956 /nfs/dbraw/zinc/71/09/56/766710956.db2.gz GQZNXWBWNCIPHA-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 ZINC001046035221 766719735 /nfs/dbraw/zinc/71/97/35/766719735.db2.gz HILQWMZLFQQNIN-SJORKVTESA-N 1 1 348.491 0.697 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001041998815 782575525 /nfs/dbraw/zinc/57/55/25/782575525.db2.gz CNGTYIXCZIMTLK-DZGCQCFKSA-N 1 1 329.404 0.511 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)COc3cc(C)on3)CC2)C1 ZINC001046037567 766734055 /nfs/dbraw/zinc/73/40/55/766734055.db2.gz SLJOIOBHVMGIRD-OAHLLOKOSA-N 1 1 334.420 0.766 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001041998827 782576051 /nfs/dbraw/zinc/57/60/51/782576051.db2.gz CNGTYIXCZIMTLK-ZFWWWQNUSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCn4nccc43)CC2)C1 ZINC001046038696 766738969 /nfs/dbraw/zinc/73/89/69/766738969.db2.gz NCMKGQKMHIJMAQ-IRXDYDNUSA-N 1 1 341.459 0.612 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccc(F)cn3)CC2)C1 ZINC001046038817 766739501 /nfs/dbraw/zinc/73/95/01/766739501.db2.gz JTTHMSMSATUOBC-QGZVFWFLSA-N 1 1 330.407 0.615 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc4n[nH]cc4c3)CC2)C1 ZINC001046038993 766740926 /nfs/dbraw/zinc/74/09/26/766740926.db2.gz LYXZCLHYSGLINO-MRXNPFEDSA-N 1 1 338.415 0.423 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046039689 766743660 /nfs/dbraw/zinc/74/36/60/766743660.db2.gz VTNDUMZZQARETE-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(N)=O)cn3C)CC2)C1 ZINC001046041626 766752311 /nfs/dbraw/zinc/75/23/11/766752311.db2.gz KVTCIDXCXPNSMR-OAHLLOKOSA-N 1 1 345.447 0.142 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)C1 ZINC001046041874 766754155 /nfs/dbraw/zinc/75/41/55/766754155.db2.gz UOFYLCTYOYENMD-DLBZAZTESA-N 1 1 341.459 0.297 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2N([C@H](C)C(N)=O)CC3)CC1 ZINC000992515632 766755620 /nfs/dbraw/zinc/75/56/20/766755620.db2.gz ZGXWTSDJSBBIKM-OGWOLHLISA-N 1 1 346.475 0.319 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(Cl)n3C)CC2)C1 ZINC001046043888 766763164 /nfs/dbraw/zinc/76/31/64/766763164.db2.gz MHSPTHNBSQTYRP-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccon3)CC2)C1 ZINC001046044221 766766351 /nfs/dbraw/zinc/76/63/51/766766351.db2.gz RCAIIQPNEBRZAH-QGZVFWFLSA-N 1 1 330.432 0.849 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(Cl)n(C)n3)CC2)C1 ZINC001046044712 766766965 /nfs/dbraw/zinc/76/69/65/766766965.db2.gz PSLRZWSAEOFKNK-AWEZNQCLSA-N 1 1 349.866 0.929 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc(CC)nn3C)CC2)C1 ZINC001046045192 766770439 /nfs/dbraw/zinc/77/04/39/766770439.db2.gz DJXNDWHAVQBIJE-QGZVFWFLSA-N 1 1 343.475 0.377 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC001046047206 766778054 /nfs/dbraw/zinc/77/80/54/766778054.db2.gz MIVMGYBAGAJGJL-OAHLLOKOSA-N 1 1 346.431 0.787 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C(N)=O)cn3)CCC[C@H]12 ZINC000992525587 766779732 /nfs/dbraw/zinc/77/97/32/766779732.db2.gz WNPZADZOJRYLMB-MAUKXSAKSA-N 1 1 326.400 0.931 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCn3ccnc3)CC2)C1 ZINC001046048963 766781628 /nfs/dbraw/zinc/78/16/28/766781628.db2.gz GYSJLDRAAJMEGS-KRWDZBQOSA-N 1 1 329.448 0.515 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001046048671 766781760 /nfs/dbraw/zinc/78/17/60/766781760.db2.gz BVVUMTXBYJBTHS-HUUCEWRRSA-N 1 1 336.480 0.681 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)C1 ZINC001046049236 766782609 /nfs/dbraw/zinc/78/26/09/766782609.db2.gz LPDANKXJMOEQHT-MRXNPFEDSA-N 1 1 329.448 0.502 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)CO2 ZINC001053771029 766799358 /nfs/dbraw/zinc/79/93/58/766799358.db2.gz BVHZGQSSSJGTQJ-CHWSQXEVSA-N 1 1 329.828 0.029 20 30 ECEDMO C=C(Cl)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)CO2 ZINC001053771029 766799363 /nfs/dbraw/zinc/79/93/63/766799363.db2.gz BVHZGQSSSJGTQJ-CHWSQXEVSA-N 1 1 329.828 0.029 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN([C@@H]3CC[N@H+](C[C@@H](C)O)C3)CC2)c1 ZINC001046062269 766834647 /nfs/dbraw/zinc/83/46/47/766834647.db2.gz TUHNWXKBCUQROU-CRAIPNDOSA-N 1 1 342.443 0.276 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncn(C(C)(C)C)n3)CC2)C1 ZINC001046064730 766846761 /nfs/dbraw/zinc/84/67/61/766846761.db2.gz SPOAWUYUQZPDAW-OAHLLOKOSA-N 1 1 344.463 0.498 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(COC)on3)CC2)C1 ZINC001046068385 766862200 /nfs/dbraw/zinc/86/22/00/766862200.db2.gz KWTGXRLBMBDZNW-HNNXBMFYSA-N 1 1 346.431 0.676 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC001046068938 766866180 /nfs/dbraw/zinc/86/61/80/766866180.db2.gz XPFSJPXOHFPPJT-OAHLLOKOSA-N 1 1 345.447 0.893 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)COC3CCOCC3)CC2)C1 ZINC001046071421 766877910 /nfs/dbraw/zinc/87/79/10/766877910.db2.gz VVDVLFPQQPOPRZ-KRWDZBQOSA-N 1 1 349.475 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3CC)CC2)C1 ZINC001046075024 766892753 /nfs/dbraw/zinc/89/27/53/766892753.db2.gz NBPJBXOFMLOFJB-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C(C)C)nn3)CC2)C1 ZINC001046075201 766895556 /nfs/dbraw/zinc/89/55/56/766895556.db2.gz PJRLMZMPLKDFTC-HNNXBMFYSA-N 1 1 330.436 0.324 20 30 ECEDMO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001089654292 766899282 /nfs/dbraw/zinc/89/92/82/766899282.db2.gz MYYUVLMQMYLDPP-HIFRSBDPSA-N 1 1 346.435 0.400 20 30 ECEDMO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001089654292 766899295 /nfs/dbraw/zinc/89/92/95/766899295.db2.gz MYYUVLMQMYLDPP-HIFRSBDPSA-N 1 1 346.435 0.400 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(N(C)C)nn3)CC2)C1 ZINC001046077440 766908001 /nfs/dbraw/zinc/90/80/01/766908001.db2.gz WBOMPFQVQUJYDE-OAHLLOKOSA-N 1 1 344.463 0.561 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(CC)CC)nc2)C1 ZINC001078263899 782589377 /nfs/dbraw/zinc/58/93/77/782589377.db2.gz YUTPPOOSLPAXFI-HZPDHXFCSA-N 1 1 330.432 0.726 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC001046078563 766910447 /nfs/dbraw/zinc/91/04/47/766910447.db2.gz ZOBYJXTWBWRCAY-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC001046078687 766911875 /nfs/dbraw/zinc/91/18/75/766911875.db2.gz LZVGCMRCPYDCSM-OAHLLOKOSA-N 1 1 345.447 0.893 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC001031731138 766918905 /nfs/dbraw/zinc/91/89/05/766918905.db2.gz LISHXVJQHUFYQN-UHFFFAOYSA-N 1 1 330.432 0.957 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046081547 766919434 /nfs/dbraw/zinc/91/94/34/766919434.db2.gz MBQJCVCSDIQMIH-LJQANCHMSA-N 1 1 341.455 0.421 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC001046082708 766921999 /nfs/dbraw/zinc/92/19/99/766921999.db2.gz ZULOOAKBTUXNQS-IAGOWNOFSA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC001046083927 766923251 /nfs/dbraw/zinc/92/32/51/766923251.db2.gz FGBCKYJXMYUTJU-HNNXBMFYSA-N 1 1 345.447 0.522 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC001046087460 766930289 /nfs/dbraw/zinc/93/02/89/766930289.db2.gz RUWXIZKSRPYWKG-QZTJIDSGSA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)C1)CO2 ZINC001053822838 766942042 /nfs/dbraw/zinc/94/20/42/766942042.db2.gz XCKQLIJSYTXLIP-CABCVRRESA-N 1 1 335.448 0.779 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ccnc3)C2)c1 ZINC001078270286 782595380 /nfs/dbraw/zinc/59/53/80/782595380.db2.gz MMYDAVJVIUZNTH-HZPDHXFCSA-N 1 1 325.372 0.116 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ccnc3)C2)c1 ZINC001078270286 782595392 /nfs/dbraw/zinc/59/53/92/782595392.db2.gz MMYDAVJVIUZNTH-HZPDHXFCSA-N 1 1 325.372 0.116 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001046124516 766955201 /nfs/dbraw/zinc/95/52/01/766955201.db2.gz IGOLGEOCCHZXNK-SUMWQHHRSA-N 1 1 345.403 0.163 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nn(C)cc2Cl)C1 ZINC001031741195 766988551 /nfs/dbraw/zinc/98/85/51/766988551.db2.gz RMXJEFVHSOVDRZ-INIZCTEOSA-N 1 1 349.866 0.719 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nn(C)cc2Cl)C1 ZINC001031741195 766988555 /nfs/dbraw/zinc/98/85/55/766988555.db2.gz RMXJEFVHSOVDRZ-INIZCTEOSA-N 1 1 349.866 0.719 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001089677890 767011324 /nfs/dbraw/zinc/01/13/24/767011324.db2.gz FDRKCWGDNDADTG-AWEZNQCLSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001089677890 767011332 /nfs/dbraw/zinc/01/13/32/767011332.db2.gz FDRKCWGDNDADTG-AWEZNQCLSA-N 1 1 326.404 0.978 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001046220682 767089473 /nfs/dbraw/zinc/08/94/73/767089473.db2.gz VOUFIBBBFTVVPG-PKOBYXMFSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001046220682 767089481 /nfs/dbraw/zinc/08/94/81/767089481.db2.gz VOUFIBBBFTVVPG-PKOBYXMFSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3c(c1)nnn3C)CO2 ZINC001053872109 767092981 /nfs/dbraw/zinc/09/29/81/767092981.db2.gz SEZZWFAVLKZWKG-ZDUSSCGKSA-N 1 1 342.403 0.513 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046239892 767103833 /nfs/dbraw/zinc/10/38/33/767103833.db2.gz OAKLTSIWEUAHQL-DIFFPNOSSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046239892 767103842 /nfs/dbraw/zinc/10/38/42/767103842.db2.gz OAKLTSIWEUAHQL-DIFFPNOSSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001046247396 767106478 /nfs/dbraw/zinc/10/64/78/767106478.db2.gz YVOGJGHMAOZLTO-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001046247396 767106479 /nfs/dbraw/zinc/10/64/79/767106479.db2.gz YVOGJGHMAOZLTO-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC000938756494 767107254 /nfs/dbraw/zinc/10/72/54/767107254.db2.gz QELUNRZHOWUBAP-GJZGRUSLSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC000938756494 767107257 /nfs/dbraw/zinc/10/72/57/767107257.db2.gz QELUNRZHOWUBAP-GJZGRUSLSA-N 1 1 329.404 0.180 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046248617 767108412 /nfs/dbraw/zinc/10/84/12/767108412.db2.gz QWCZJDWLDLXPLY-MJGOQNOKSA-N 1 1 342.443 0.969 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046248617 767108413 /nfs/dbraw/zinc/10/84/13/767108413.db2.gz QWCZJDWLDLXPLY-MJGOQNOKSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253409 767110885 /nfs/dbraw/zinc/11/08/85/767110885.db2.gz XXMILUYAMFDVIZ-YJBOKZPZSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001046253409 767110887 /nfs/dbraw/zinc/11/08/87/767110887.db2.gz XXMILUYAMFDVIZ-YJBOKZPZSA-N 1 1 341.415 0.867 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001089710101 767112474 /nfs/dbraw/zinc/11/24/74/767112474.db2.gz AXTZJCSQXRGMTE-AWEZNQCLSA-N 1 1 333.432 0.669 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001046269734 767118243 /nfs/dbraw/zinc/11/82/43/767118243.db2.gz PGMCETYBGYTGJK-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cnnc(C)c3)C2)C1=O ZINC001046269734 767118245 /nfs/dbraw/zinc/11/82/45/767118245.db2.gz PGMCETYBGYTGJK-YJBOKZPZSA-N 1 1 343.431 0.766 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001089735177 767136737 /nfs/dbraw/zinc/13/67/37/767136737.db2.gz GLNOEFXFGFSDNJ-KGLIPLIRSA-N 1 1 341.477 0.308 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001046309063 767139860 /nfs/dbraw/zinc/13/98/60/767139860.db2.gz KMFXMNMPWIZYNP-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001046309063 767139862 /nfs/dbraw/zinc/13/98/62/767139862.db2.gz KMFXMNMPWIZYNP-CRAIPNDOSA-N 1 1 343.431 0.766 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC001089782139 767168347 /nfs/dbraw/zinc/16/83/47/767168347.db2.gz VPPVNARDPUZIPE-XGUBFFRZSA-N 1 1 326.462 0.776 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC001089782140 767168442 /nfs/dbraw/zinc/16/84/42/767168442.db2.gz VPPVNARDPUZIPE-XQLPTFJDSA-N 1 1 326.462 0.776 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)[C@H](OC)C1 ZINC001212318846 767206551 /nfs/dbraw/zinc/20/65/51/767206551.db2.gz NMLLDJPLAWIWSO-NUEKZKHPSA-N 1 1 335.448 0.520 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CN=NC1=O ZINC001089795684 767220874 /nfs/dbraw/zinc/22/08/74/767220874.db2.gz PPJXKFLSBTWEQD-XQLPTFJDSA-N 1 1 331.420 0.729 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CS(=O)(=O)C2)C1 ZINC001089806636 767234193 /nfs/dbraw/zinc/23/41/93/767234193.db2.gz RJADYCBJSBHSCD-TUUVXOQKSA-N 1 1 336.457 0.223 20 30 ECEDMO C#CCC1(C(=O)N2CC[C@@](O)(CNC(=O)CC[N@H+](C)CC)C2)CCC1 ZINC001040901437 767248906 /nfs/dbraw/zinc/24/89/06/767248906.db2.gz JKLQRMVRKBWPCV-LJQANCHMSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001212338370 767255955 /nfs/dbraw/zinc/25/59/55/767255955.db2.gz GZGFDSFCEUYUOW-ZIAGYGMSSA-N 1 1 338.452 0.429 20 30 ECEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001212338370 767255957 /nfs/dbraw/zinc/25/59/57/767255957.db2.gz GZGFDSFCEUYUOW-ZIAGYGMSSA-N 1 1 338.452 0.429 20 30 ECEDMO C=CCOCCCC(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046531044 767282364 /nfs/dbraw/zinc/28/23/64/767282364.db2.gz HJNWXQUNGMLILL-UHFFFAOYSA-N 1 1 341.452 0.001 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046585659 767335519 /nfs/dbraw/zinc/33/55/19/767335519.db2.gz HZHBECZHEMLUSK-SWLSCSKDSA-N 1 1 333.417 0.382 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046585659 767335524 /nfs/dbraw/zinc/33/55/24/767335524.db2.gz HZHBECZHEMLUSK-SWLSCSKDSA-N 1 1 333.417 0.382 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn[nH]c(=O)c1 ZINC001089823256 767339760 /nfs/dbraw/zinc/33/97/60/767339760.db2.gz DOVOTWRSLVBSPS-XZDPQHSOSA-N 1 1 326.400 0.988 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)cn1 ZINC001089827136 767352971 /nfs/dbraw/zinc/35/29/71/767352971.db2.gz KTGZFPYWZOEKGN-NHIYQJMISA-N 1 1 326.400 0.196 20 30 ECEDMO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924588 767374301 /nfs/dbraw/zinc/37/43/01/767374301.db2.gz XWIJIBOQNPSSMT-HUUCEWRRSA-N 1 1 328.416 0.347 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCCC2=CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001089832383 767395652 /nfs/dbraw/zinc/39/56/52/767395652.db2.gz RUKYJPCDHRXOBI-HNNXBMFYSA-N 1 1 340.431 0.943 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001089832603 767398231 /nfs/dbraw/zinc/39/82/31/767398231.db2.gz WKUDVPFWNTZZOP-HJWJTTGWSA-N 1 1 325.412 0.801 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1C(=O)CCC1=O ZINC001089834773 767413349 /nfs/dbraw/zinc/41/33/49/767413349.db2.gz SCMVXWYYYFOOES-FZKCQIBNSA-N 1 1 343.427 0.328 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001106157708 767421765 /nfs/dbraw/zinc/42/17/65/767421765.db2.gz IYGPKTDOQAITML-ZIAGYGMSSA-N 1 1 332.408 0.112 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001046671963 767452809 /nfs/dbraw/zinc/45/28/09/767452809.db2.gz OBWVOOQVHBBKGS-HUUCEWRRSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046672759 767456141 /nfs/dbraw/zinc/45/61/41/767456141.db2.gz ZJOUCBGJALEZBY-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001046695642 767500652 /nfs/dbraw/zinc/50/06/52/767500652.db2.gz KHXDNQJONAULDW-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001060464547 767509303 /nfs/dbraw/zinc/50/93/03/767509303.db2.gz ZVAYWPFXSRPOKD-ZIAGYGMSSA-N 1 1 334.420 0.898 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cccnn3)C2)C1=O ZINC001046721458 767541204 /nfs/dbraw/zinc/54/12/04/767541204.db2.gz JBZUTSNGYNYSBR-WMLDXEAASA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cccnn3)C2)C1=O ZINC001046721458 767541212 /nfs/dbraw/zinc/54/12/12/767541212.db2.gz JBZUTSNGYNYSBR-WMLDXEAASA-N 1 1 329.404 0.458 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001017085243 767568205 /nfs/dbraw/zinc/56/82/05/767568205.db2.gz AEVSNHVDVFDYND-CZUORRHYSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1C(=O)CCC1=O)CO2 ZINC001054004562 767572288 /nfs/dbraw/zinc/57/22/88/767572288.db2.gz QCSHJODBTWSXLR-CYBMUJFWSA-N 1 1 335.404 0.061 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1nc3ncccn3n1)CO2 ZINC001054007237 767578931 /nfs/dbraw/zinc/57/89/31/767578931.db2.gz BJJWJLXBYLLKSL-CYBMUJFWSA-N 1 1 342.403 0.202 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncc(C(N)=O)c1)CO2 ZINC001054010391 767592076 /nfs/dbraw/zinc/59/20/76/767592076.db2.gz RFYKBOQRDFSDFU-CQSZACIVSA-N 1 1 330.388 0.330 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnc1C(N)=O)CO2 ZINC001054014071 767600089 /nfs/dbraw/zinc/60/00/89/767600089.db2.gz HQCIISHYAMWSIY-LBPRGKRZSA-N 1 1 330.388 0.330 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)N1CCCCC1=O)CO2 ZINC001054017040 767608484 /nfs/dbraw/zinc/60/84/84/767608484.db2.gz PZIYIFOOOGNLJZ-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054049163 767648856 /nfs/dbraw/zinc/64/88/56/767648856.db2.gz RPMHMSOYQSHIFH-SJORKVTESA-N 1 1 340.427 0.576 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001060476416 767686238 /nfs/dbraw/zinc/68/62/38/767686238.db2.gz LXMYSNBYUZXYBW-ORDIRQJYSA-N 1 1 340.431 0.405 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001054102635 767691593 /nfs/dbraw/zinc/69/15/93/767691593.db2.gz PXCKXLXWBSPSDE-PBHICJAKSA-N 1 1 333.436 0.486 20 30 ECEDMO CS(=O)(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054129875 767724052 /nfs/dbraw/zinc/72/40/52/767724052.db2.gz BKVXFVHAXZVGDX-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO CS(=O)(=O)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054129875 767724055 /nfs/dbraw/zinc/72/40/55/767724055.db2.gz BKVXFVHAXZVGDX-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001054155233 767750303 /nfs/dbraw/zinc/75/03/03/767750303.db2.gz MPOAJCXPVPSRPW-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CS(=O)(=O)C1)C2 ZINC001054155233 767750308 /nfs/dbraw/zinc/75/03/08/767750308.db2.gz MPOAJCXPVPSRPW-KRWDZBQOSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCS(=O)(=O)C1)C2 ZINC001054161728 767759731 /nfs/dbraw/zinc/75/97/31/767759731.db2.gz NJZQCRORRTVKKH-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCS(=O)(=O)C1)C2 ZINC001054161728 767759733 /nfs/dbraw/zinc/75/97/33/767759733.db2.gz NJZQCRORRTVKKH-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001054166776 767765167 /nfs/dbraw/zinc/76/51/67/767765167.db2.gz JCWKWUDHFFZBOS-GOSISDBHSA-N 1 1 345.447 0.310 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054188025 767786616 /nfs/dbraw/zinc/78/66/16/767786616.db2.gz FQLXXBXPWLRMTM-GOSISDBHSA-N 1 1 326.400 0.858 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001054197337 767795691 /nfs/dbraw/zinc/79/56/91/767795691.db2.gz WGJPIQGWXSHHHT-HDMKZQKVSA-N 1 1 335.448 0.910 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@]2(C)C1 ZINC000992933848 767810162 /nfs/dbraw/zinc/81/01/62/767810162.db2.gz JFYHTPJHZYWKOP-HACGYAERSA-N 1 1 329.404 0.658 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001054226936 767834097 /nfs/dbraw/zinc/83/40/97/767834097.db2.gz GHNBMJKZKKVLQA-GOSISDBHSA-N 1 1 348.447 0.771 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001054234583 767844013 /nfs/dbraw/zinc/84/40/13/767844013.db2.gz GRBPEMXFHXIEDP-GOSISDBHSA-N 1 1 347.463 0.781 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001054237033 767846185 /nfs/dbraw/zinc/84/61/85/767846185.db2.gz QWBYSQLEAYKAGD-KSSFIOAISA-N 1 1 346.431 0.312 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001054903171 768404821 /nfs/dbraw/zinc/40/48/21/768404821.db2.gz IHNGSNZTJHAMAU-QPSCCSFWSA-N 1 1 326.404 0.668 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 ZINC001111535523 768442522 /nfs/dbraw/zinc/44/25/22/768442522.db2.gz PEUJNFRDQHXWDZ-GFCCVEGCSA-N 1 1 344.843 0.489 20 30 ECEDMO C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106641642 768544932 /nfs/dbraw/zinc/54/49/32/768544932.db2.gz BCUCFPDIMNGLCF-YRGRVCCFSA-N 1 1 332.408 0.374 20 30 ECEDMO C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106641642 768544936 /nfs/dbraw/zinc/54/49/36/768544936.db2.gz BCUCFPDIMNGLCF-YRGRVCCFSA-N 1 1 332.408 0.374 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055223952 768681671 /nfs/dbraw/zinc/68/16/71/768681671.db2.gz BWMIIWBYGPFTFD-VQHPVUNQSA-N 1 1 349.475 0.836 20 30 ECEDMO CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001106709970 768695925 /nfs/dbraw/zinc/69/59/25/768695925.db2.gz PHENIATUJWYCEW-INIZCTEOSA-N 1 1 331.420 0.275 20 30 ECEDMO CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001106709970 768695930 /nfs/dbraw/zinc/69/59/30/768695930.db2.gz PHENIATUJWYCEW-INIZCTEOSA-N 1 1 331.420 0.275 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)C1 ZINC001055362353 768814189 /nfs/dbraw/zinc/81/41/89/768814189.db2.gz UUNCHCJSYAQJLA-MIGQKNRLSA-N 1 1 340.431 0.916 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001055372819 768826606 /nfs/dbraw/zinc/82/66/06/768826606.db2.gz HCALLGZBQSKAJH-HRCADAONSA-N 1 1 337.464 0.835 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993354825 768852797 /nfs/dbraw/zinc/85/27/97/768852797.db2.gz UCEVVDBTSCYEBJ-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993354825 768852806 /nfs/dbraw/zinc/85/28/06/768852806.db2.gz UCEVVDBTSCYEBJ-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC(=O)N(C)C ZINC001099263538 768867607 /nfs/dbraw/zinc/86/76/07/768867607.db2.gz GOWZVVHKFIFWNK-HNNXBMFYSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cnccn2)CC1 ZINC001055502544 768954753 /nfs/dbraw/zinc/95/47/53/768954753.db2.gz GWMTVDCNMUGODD-UHFFFAOYSA-N 1 1 343.431 0.591 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001098794396 768962643 /nfs/dbraw/zinc/96/26/43/768962643.db2.gz NJKZSDODFBIMRS-PRXAMGSTSA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2ccncc2F)CC1 ZINC001055549283 769090082 /nfs/dbraw/zinc/09/00/82/769090082.db2.gz CUOVCFSEZGUFOL-LBPRGKRZSA-N 1 1 347.394 0.691 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001042078656 782723247 /nfs/dbraw/zinc/72/32/47/782723247.db2.gz XQOXVCLSPVMCOV-ZIAGYGMSSA-N 1 1 330.436 0.527 20 30 ECEDMO C#CCCCC(=O)NCCN1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055567146 769130272 /nfs/dbraw/zinc/13/02/72/769130272.db2.gz VXQNFROLYCZMAO-QGZVFWFLSA-N 1 1 348.491 0.581 20 30 ECEDMO C#CCCCC(=O)NCCN1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055567146 769130278 /nfs/dbraw/zinc/13/02/78/769130278.db2.gz VXQNFROLYCZMAO-QGZVFWFLSA-N 1 1 348.491 0.581 20 30 ECEDMO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cn(C)nn2)CC1 ZINC001055570760 769142168 /nfs/dbraw/zinc/14/21/68/769142168.db2.gz PJXBQLNBTUUCCD-UHFFFAOYSA-N 1 1 348.451 0.338 20 30 ECEDMO Cc1c[nH]nc1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055573426 769154305 /nfs/dbraw/zinc/15/43/05/769154305.db2.gz CCKDODGZMMTFBY-UHFFFAOYSA-N 1 1 343.431 0.442 20 30 ECEDMO Cc1conc1C(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055575349 769161715 /nfs/dbraw/zinc/16/17/15/769161715.db2.gz SVYFSHZNTKJGGE-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3ccc(OC)nn32)[C@@H]1C ZINC000993522693 769221229 /nfs/dbraw/zinc/22/12/29/769221229.db2.gz QDTGLKIXBYVSIU-STQMWFEESA-N 1 1 327.388 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3ccc(OC)nn32)[C@@H]1C ZINC000993522693 769221232 /nfs/dbraw/zinc/22/12/32/769221232.db2.gz QDTGLKIXBYVSIU-STQMWFEESA-N 1 1 327.388 0.954 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H]1C ZINC000993527551 769228595 /nfs/dbraw/zinc/22/85/95/769228595.db2.gz JDPXUPUOEPOGMD-UONOGXRCSA-N 1 1 342.403 0.926 20 30 ECEDMO CCc1nc(C(=O)NC2CC[NH+](CCNC(=O)[C@@H](C)C#N)CC2)co1 ZINC001055629553 769295621 /nfs/dbraw/zinc/29/56/21/769295621.db2.gz DBNYKEPIGAHRDY-LBPRGKRZSA-N 1 1 347.419 0.707 20 30 ECEDMO CC[N@H+](C)CCC(=O)NCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055642857 769332153 /nfs/dbraw/zinc/33/21/53/769332153.db2.gz PBXMQPHRDIPKAH-AWEZNQCLSA-N 1 1 337.468 0.185 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055642857 769332163 /nfs/dbraw/zinc/33/21/63/769332163.db2.gz PBXMQPHRDIPKAH-AWEZNQCLSA-N 1 1 337.468 0.185 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001060610319 769560939 /nfs/dbraw/zinc/56/09/39/769560939.db2.gz RMQSRWKZPHASLB-UHFFFAOYSA-N 1 1 339.403 0.815 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001055751100 769596068 /nfs/dbraw/zinc/59/60/68/769596068.db2.gz PDHVNVSFSBCQAU-AWEZNQCLSA-N 1 1 333.367 0.072 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001055751100 769596076 /nfs/dbraw/zinc/59/60/76/769596076.db2.gz PDHVNVSFSBCQAU-AWEZNQCLSA-N 1 1 333.367 0.072 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000993815694 769672461 /nfs/dbraw/zinc/67/24/61/769672461.db2.gz IYVOXEIPDLNGRT-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000993863838 769727287 /nfs/dbraw/zinc/72/72/87/769727287.db2.gz DJNBXFYQFGYWSM-BPLDGKMQSA-N 1 1 343.431 0.662 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000993863841 769727799 /nfs/dbraw/zinc/72/77/99/769727799.db2.gz DJNBXFYQFGYWSM-VHDGCEQUSA-N 1 1 343.431 0.662 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000993931713 769846975 /nfs/dbraw/zinc/84/69/75/769846975.db2.gz NUZQOXCNMNBSSY-UAGQMJEPSA-N 1 1 349.475 0.882 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001055824611 769861480 /nfs/dbraw/zinc/86/14/80/769861480.db2.gz XUTCOEFTOAGVNQ-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC001055824816 769862679 /nfs/dbraw/zinc/86/26/79/769862679.db2.gz HZPPFJIHZFXMKC-HNNXBMFYSA-N 1 1 344.419 0.026 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC001055824816 769862689 /nfs/dbraw/zinc/86/26/89/769862689.db2.gz HZPPFJIHZFXMKC-HNNXBMFYSA-N 1 1 344.419 0.026 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC000993909603 769866862 /nfs/dbraw/zinc/86/68/62/769866862.db2.gz WVJLBQXTYSNNAU-OCCSQVGLSA-N 1 1 334.420 0.243 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C ZINC000993990078 769970582 /nfs/dbraw/zinc/97/05/82/769970582.db2.gz QHKNYXXEUROIPP-CABCVRRESA-N 1 1 346.435 0.171 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cncs2)C1 ZINC000994033037 769992939 /nfs/dbraw/zinc/99/29/39/769992939.db2.gz BDCDPQNVGWQKQD-AWEZNQCLSA-N 1 1 332.429 0.110 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cncs2)C1 ZINC000994033037 769992944 /nfs/dbraw/zinc/99/29/44/769992944.db2.gz BDCDPQNVGWQKQD-AWEZNQCLSA-N 1 1 332.429 0.110 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]21 ZINC001042115999 782796320 /nfs/dbraw/zinc/79/63/20/782796320.db2.gz FILOUHYOCYEOOZ-DOTOQJQBSA-N 1 1 340.427 0.669 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@H]21 ZINC001042118632 782801438 /nfs/dbraw/zinc/80/14/38/782801438.db2.gz XTZZSXUTIWENSN-GDBMZVCRSA-N 1 1 328.416 0.973 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 ZINC001042120352 782804092 /nfs/dbraw/zinc/80/40/92/782804092.db2.gz SIMFPCBBVCRIQK-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 ZINC001042120349 782804308 /nfs/dbraw/zinc/80/43/08/782804308.db2.gz SIMFPCBBVCRIQK-CVEARBPZSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055895602 770126136 /nfs/dbraw/zinc/12/61/36/770126136.db2.gz XGQVYXXTBAJMCQ-APWZRJJASA-N 1 1 349.475 0.601 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 ZINC001042123598 782808891 /nfs/dbraw/zinc/80/88/91/782808891.db2.gz TWYAZKQMXXAIIL-HUUCEWRRSA-N 1 1 326.462 0.920 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1 ZINC000994097041 770132716 /nfs/dbraw/zinc/13/27/16/770132716.db2.gz XGGIFGAYAUQVMF-DJIMGWMZSA-N 1 1 347.459 0.331 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1 ZINC000994097041 770132725 /nfs/dbraw/zinc/13/27/25/770132725.db2.gz XGGIFGAYAUQVMF-DJIMGWMZSA-N 1 1 347.459 0.331 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001055912802 770190953 /nfs/dbraw/zinc/19/09/53/770190953.db2.gz SXXKZFOGBQMGPS-LPHOPBHVSA-N 1 1 349.475 0.744 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H]1C ZINC000994170872 770221231 /nfs/dbraw/zinc/22/12/31/770221231.db2.gz NZZGYIIJSDCUCD-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001055923364 770232117 /nfs/dbraw/zinc/23/21/17/770232117.db2.gz GPVOEZSDBXYBKM-OAHLLOKOSA-N 1 1 342.447 0.975 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3ncccn3)C2)[nH]1 ZINC001078382983 782818280 /nfs/dbraw/zinc/81/82/80/782818280.db2.gz XXFNEWQCFRXLQY-AWEZNQCLSA-N 1 1 340.387 0.697 20 30 ECEDMO N#Cc1nccc(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)n1 ZINC001055928245 770248937 /nfs/dbraw/zinc/24/89/37/770248937.db2.gz NZCUVBUXSWLPSC-CYBMUJFWSA-N 1 1 337.387 0.771 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC(C)C)C1 ZINC001055952033 770337904 /nfs/dbraw/zinc/33/79/04/770337904.db2.gz CXUUYOVPLSLSDR-SFHVURJKSA-N 1 1 346.431 0.321 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCC[C@@](CO)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001055953975 770349670 /nfs/dbraw/zinc/34/96/70/770349670.db2.gz MDLMJOCKGSIGOV-HNAYVOBHSA-N 1 1 349.475 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ncc(C)cn2)C1 ZINC001018985995 770483720 /nfs/dbraw/zinc/48/37/20/770483720.db2.gz PKKQQDMIDAEMHT-HOTGVXAUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ncc(C)cn2)C1 ZINC001018985995 770483724 /nfs/dbraw/zinc/48/37/24/770483724.db2.gz PKKQQDMIDAEMHT-HOTGVXAUSA-N 1 1 327.432 0.573 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]21 ZINC001042143645 782844694 /nfs/dbraw/zinc/84/46/94/782844694.db2.gz VPLUWOZERNFLPE-KBPBESRZSA-N 1 1 332.404 0.448 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@]2(CO)CCCN(C(=O)C#CC3CC3)C2)C1 ZINC001056019374 770570335 /nfs/dbraw/zinc/57/03/35/770570335.db2.gz ICCQYELUVGATFJ-QFBILLFUSA-N 1 1 347.459 0.211 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)[C@@H]1C ZINC000994296540 770589844 /nfs/dbraw/zinc/58/98/44/770589844.db2.gz TWOXNMKBKITEKT-RHSMWYFYSA-N 1 1 327.428 0.926 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)[C@@H]1C ZINC000994296540 770589849 /nfs/dbraw/zinc/58/98/49/770589849.db2.gz TWOXNMKBKITEKT-RHSMWYFYSA-N 1 1 327.428 0.926 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001056067701 770733663 /nfs/dbraw/zinc/73/36/63/770733663.db2.gz IMAAXCILDZHSNA-OAHLLOKOSA-N 1 1 328.420 0.871 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@@H]21 ZINC001042161692 782874305 /nfs/dbraw/zinc/87/43/05/782874305.db2.gz CKLRYPYYFMNADP-CABCVRRESA-N 1 1 333.436 0.471 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056122304 770873441 /nfs/dbraw/zinc/87/34/41/770873441.db2.gz GBBNSNAULAAKGS-SFHVURJKSA-N 1 1 335.448 0.211 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056124262 770882457 /nfs/dbraw/zinc/88/24/57/770882457.db2.gz LHCAWQRBHPDLQN-BEFAXECRSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](O)C(C)C)C2 ZINC001019143118 770915126 /nfs/dbraw/zinc/91/51/26/770915126.db2.gz ICSSYVPAHZMIEE-JKSUJKDBSA-N 1 1 347.459 0.162 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](O)C(C)C)C2 ZINC001019143118 770915133 /nfs/dbraw/zinc/91/51/33/770915133.db2.gz ICSSYVPAHZMIEE-JKSUJKDBSA-N 1 1 347.459 0.162 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21 ZINC001042172364 782888014 /nfs/dbraw/zinc/88/80/14/782888014.db2.gz FDGXTJSWPVZRBF-ZFWWWQNUSA-N 1 1 344.415 0.685 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)C[C@H]21 ZINC001042173304 782889955 /nfs/dbraw/zinc/88/99/55/782889955.db2.gz NTXXAMWVWVEWIK-LSDHHAIUSA-N 1 1 339.399 0.052 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)CC(C)(C)C1 ZINC001089401415 771059190 /nfs/dbraw/zinc/05/91/90/771059190.db2.gz UMQNUYUDYMGJSI-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2CN(C[C@@H]3C[C@]34CCOC4)C2)CC1 ZINC001031434778 771068678 /nfs/dbraw/zinc/06/86/78/771068678.db2.gz DYKDUHXBEQZASR-LPHOPBHVSA-N 1 1 331.460 0.559 20 30 ECEDMO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCc3[nH+]ccn32)n1 ZINC001056321435 771121573 /nfs/dbraw/zinc/12/15/73/771121573.db2.gz LXDRVZCKBPWEJT-OEUWWYETSA-N 1 1 349.398 0.673 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)C1 ZINC001056410272 771241745 /nfs/dbraw/zinc/24/17/45/771241745.db2.gz HVJPIFVTKAKCBT-TXPWEPMLSA-N 1 1 325.416 0.846 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)C1 ZINC001056411021 771242691 /nfs/dbraw/zinc/24/26/91/771242691.db2.gz VVLYAJRJXJVNFH-APNQJHFZSA-N 1 1 326.404 0.241 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)CC[N@H+]1C ZINC001056444845 771276270 /nfs/dbraw/zinc/27/62/70/771276270.db2.gz OVPYGUJWIVGJSJ-UYLCMAPUSA-N 1 1 326.404 0.239 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cc(OC)no3)C2)nn1 ZINC001019482509 771346076 /nfs/dbraw/zinc/34/60/76/771346076.db2.gz XUXPSDSSUQWTFW-NSHDSACASA-N 1 1 332.364 0.465 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C(C)C)C2)nn1 ZINC001019483319 771346762 /nfs/dbraw/zinc/34/67/62/771346762.db2.gz NVECPHFODZRWSQ-ZDUSSCGKSA-N 1 1 344.423 0.641 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC(C)(C)C1 ZINC001089507455 771376042 /nfs/dbraw/zinc/37/60/42/771376042.db2.gz OMCOPYIMURLOFL-OLZOCXBDSA-N 1 1 334.420 0.215 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCC2C[NH+](Cc3cccc(C(N)=O)c3)C2)c1 ZINC001031603455 771393846 /nfs/dbraw/zinc/39/38/46/771393846.db2.gz QDUWUPPIUFWDFO-UHFFFAOYSA-N 1 1 337.383 0.847 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC(C)(C)C2)cn1 ZINC001089543411 771436296 /nfs/dbraw/zinc/43/62/96/771436296.db2.gz BMWMALSXBIANDI-HNNXBMFYSA-N 1 1 328.416 0.769 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001056630812 771449518 /nfs/dbraw/zinc/44/95/18/771449518.db2.gz SPRWZQUARDSRRT-IXDOHACOSA-N 1 1 349.475 0.980 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCCO1 ZINC001089548744 771454459 /nfs/dbraw/zinc/45/44/59/771454459.db2.gz NZWQDSVYXRXJKG-OAHLLOKOSA-N 1 1 346.435 0.402 20 30 ECEDMO CC(C)(C)N1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001031619434 771468416 /nfs/dbraw/zinc/46/84/16/771468416.db2.gz XHPWCWWKHOIBJE-OAHLLOKOSA-N 1 1 343.431 0.947 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001056661969 771483111 /nfs/dbraw/zinc/48/31/11/771483111.db2.gz LWFXBHBNGCJMEJ-GVDBMIGSSA-N 1 1 347.459 0.426 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001056661969 771483112 /nfs/dbraw/zinc/48/31/12/771483112.db2.gz LWFXBHBNGCJMEJ-GVDBMIGSSA-N 1 1 347.459 0.426 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)CC(C)(C)C1 ZINC001089559658 771486205 /nfs/dbraw/zinc/48/62/05/771486205.db2.gz QTHLXBLUCUJBPC-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001056812036 771675305 /nfs/dbraw/zinc/67/53/05/771675305.db2.gz BBIKVLCEUMPEFD-YRGRVCCFSA-N 1 1 330.392 0.080 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)O1 ZINC001056812036 771675307 /nfs/dbraw/zinc/67/53/07/771675307.db2.gz BBIKVLCEUMPEFD-YRGRVCCFSA-N 1 1 330.392 0.080 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3ccc(C#N)nn3)C2)C1 ZINC001057029551 771966709 /nfs/dbraw/zinc/96/67/09/771966709.db2.gz PTYYBGXOQCZENA-DZGCQCFKSA-N 1 1 328.420 0.727 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C)c(C(N)=O)cn3)C[C@H]21 ZINC001042241609 782973913 /nfs/dbraw/zinc/97/39/13/782973913.db2.gz BMSIYIZMLDCBNM-CZUORRHYSA-N 1 1 326.400 0.659 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3ncccc3C#N)C2)O1 ZINC001057061773 772017130 /nfs/dbraw/zinc/01/71/30/772017130.db2.gz DYBIQURLUBPKRR-FVQBIDKESA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)c3ncccc3C#N)C2)O1 ZINC001057061773 772017135 /nfs/dbraw/zinc/01/71/35/772017135.db2.gz DYBIQURLUBPKRR-FVQBIDKESA-N 1 1 343.431 0.709 20 30 ECEDMO CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001057066111 772026736 /nfs/dbraw/zinc/02/67/36/772026736.db2.gz MWSYMQKKCBJQNC-HUUCEWRRSA-N 1 1 328.420 0.870 20 30 ECEDMO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001057066622 772028001 /nfs/dbraw/zinc/02/80/01/772028001.db2.gz VFAXTVPCVFLEBO-LSDHHAIUSA-N 1 1 328.420 0.870 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(c3nccnc3C#N)CC2)C1 ZINC001057157919 772188461 /nfs/dbraw/zinc/18/84/61/772188461.db2.gz WKSHMORMIXEWNG-AWEZNQCLSA-N 1 1 328.420 0.729 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057174942 772216358 /nfs/dbraw/zinc/21/63/58/772216358.db2.gz ODWDONXZKFLPEM-CVEARBPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CCC[C@H]1C)NC(=O)c1ccc(C#N)[nH]1 ZINC001078466341 783000798 /nfs/dbraw/zinc/00/07/98/783000798.db2.gz ZDOGAGAQWROZDY-QWHCGFSZSA-N 1 1 331.420 0.995 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C)[C@@H]3C2)nn1 ZINC001042263643 783001879 /nfs/dbraw/zinc/00/18/79/783001879.db2.gz WVBZFAKLGFDJJJ-UKRRQHHQSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@@H]3C2)nn1 ZINC001042263643 783001886 /nfs/dbraw/zinc/00/18/86/783001886.db2.gz WVBZFAKLGFDJJJ-UKRRQHHQSA-N 1 1 346.435 0.089 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057234697 772319615 /nfs/dbraw/zinc/31/96/15/772319615.db2.gz LZLUHTCEOXTSLZ-UKRRQHHQSA-N 1 1 328.420 0.585 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccncc3C#N)CC2)C1 ZINC001057303146 772432556 /nfs/dbraw/zinc/43/25/56/772432556.db2.gz FVHJPHBGRJFYFG-INIZCTEOSA-N 1 1 329.404 0.109 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3ccncc3C#N)CC2)C1 ZINC001057303146 772432558 /nfs/dbraw/zinc/43/25/58/772432558.db2.gz FVHJPHBGRJFYFG-INIZCTEOSA-N 1 1 329.404 0.109 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001057447066 772624573 /nfs/dbraw/zinc/62/45/73/772624573.db2.gz OEIVCXQTWQQZPL-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2ccncc2C#N)CC1 ZINC001057448969 772627880 /nfs/dbraw/zinc/62/78/80/772627880.db2.gz OBLRLFDZVFVEAA-SFHVURJKSA-N 1 1 337.427 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2ccncc2C#N)CC1 ZINC001057448969 772627883 /nfs/dbraw/zinc/62/78/83/772627883.db2.gz OBLRLFDZVFVEAA-SFHVURJKSA-N 1 1 337.427 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C=C(\C)CC ZINC001057514972 772706374 /nfs/dbraw/zinc/70/63/74/772706374.db2.gz UTJFTRLOXUHJHN-IYOXOMEYSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C=C(\C)CC ZINC001057514972 772706378 /nfs/dbraw/zinc/70/63/78/772706378.db2.gz UTJFTRLOXUHJHN-IYOXOMEYSA-N 1 1 335.448 0.377 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001057524776 772717131 /nfs/dbraw/zinc/71/71/31/772717131.db2.gz QGIDTGKBQHIWNJ-UHFFFAOYSA-N 1 1 348.447 0.603 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057536481 772731850 /nfs/dbraw/zinc/73/18/50/772731850.db2.gz ZPJMXQSLQAFTOK-KRWDZBQOSA-N 1 1 349.475 0.600 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057812145 773015009 /nfs/dbraw/zinc/01/50/09/773015009.db2.gz VDUXFBDTQIESCN-UKRRQHHQSA-N 1 1 342.447 0.879 20 30 ECEDMO Cc1cc(N2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001057845409 773063516 /nfs/dbraw/zinc/06/35/16/773063516.db2.gz CUANCFLUHIYUOW-QGZVFWFLSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1cc(N2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c(C#N)cn1 ZINC001057845409 773063520 /nfs/dbraw/zinc/06/35/20/773063520.db2.gz CUANCFLUHIYUOW-QGZVFWFLSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057873059 773106279 /nfs/dbraw/zinc/10/62/79/773106279.db2.gz AAVSDSGRKMTFKV-UHFFFAOYSA-N 1 1 325.376 0.638 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001057874838 773110129 /nfs/dbraw/zinc/11/01/29/773110129.db2.gz CKXHGIPLHXTRTJ-GJZGRUSLSA-N 1 1 338.452 0.346 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057918356 773182903 /nfs/dbraw/zinc/18/29/03/773182903.db2.gz KYMWCOAORINQSE-UHFFFAOYSA-N 1 1 325.376 0.638 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)C(C)(C)[N@H+](C)CC ZINC001057942746 773237589 /nfs/dbraw/zinc/23/75/89/773237589.db2.gz SONYLDLWWXMWHB-UHFFFAOYSA-N 1 1 339.480 0.847 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057945782 773245794 /nfs/dbraw/zinc/24/57/94/773245794.db2.gz HCQPEJCVXLSUAP-SWLSCSKDSA-N 1 1 328.420 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC1CC1 ZINC001057961062 773290471 /nfs/dbraw/zinc/29/04/71/773290471.db2.gz HRPVOWBUEUSZNY-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC1CC1 ZINC001057961062 773290475 /nfs/dbraw/zinc/29/04/75/773290475.db2.gz HRPVOWBUEUSZNY-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)N(CCO)CCNC(=O)C#CC1CC1 ZINC001057966801 773302481 /nfs/dbraw/zinc/30/24/81/773302481.db2.gz SJXPSQINFUNASD-MRXNPFEDSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001057974389 773321155 /nfs/dbraw/zinc/32/11/55/773321155.db2.gz VLGVALFRCKQRTM-HZPDHXFCSA-N 1 1 337.464 0.907 20 30 ECEDMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058041270 773411415 /nfs/dbraw/zinc/41/14/15/773411415.db2.gz ZACOPOGKEXGQGO-HNNXBMFYSA-N 1 1 328.420 0.870 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058074129 773478317 /nfs/dbraw/zinc/47/83/17/773478317.db2.gz OHXANPGAAVNFDC-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001058110980 773554030 /nfs/dbraw/zinc/55/40/30/773554030.db2.gz DZUFUCNAJPIYEJ-QGZVFWFLSA-N 1 1 336.436 0.731 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)Cn2c[nH+]cc2C)C1 ZINC001058111441 773556968 /nfs/dbraw/zinc/55/69/68/773556968.db2.gz YGUSMUOWUXOIML-UHFFFAOYSA-N 1 1 334.420 0.485 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058134284 773604457 /nfs/dbraw/zinc/60/44/57/773604457.db2.gz ADTGUCWRZAVRPA-HIFRSBDPSA-N 1 1 344.419 0.072 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058134284 773604459 /nfs/dbraw/zinc/60/44/59/773604459.db2.gz ADTGUCWRZAVRPA-HIFRSBDPSA-N 1 1 344.419 0.072 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058158436 773661735 /nfs/dbraw/zinc/66/17/35/773661735.db2.gz YMVQMQPVQVTUTB-QAPCUYQASA-N 1 1 339.480 0.868 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001058164306 773675329 /nfs/dbraw/zinc/67/53/29/773675329.db2.gz OHYZUSFSXDKXKV-ZDUSSCGKSA-N 1 1 325.376 0.638 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058219401 773793501 /nfs/dbraw/zinc/79/35/01/773793501.db2.gz SEOARBODVZCVFN-KGLIPLIRSA-N 1 1 328.420 0.918 20 30 ECEDMO C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CCC ZINC001058252350 773844149 /nfs/dbraw/zinc/84/41/49/773844149.db2.gz GMGAWIMIUPMWNA-OAHLLOKOSA-N 1 1 343.468 0.247 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001058258006 773859483 /nfs/dbraw/zinc/85/94/83/773859483.db2.gz KVFXMEQYQXVHQU-BPLDGKMQSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccnc(C)n2)C1 ZINC001058264288 773876756 /nfs/dbraw/zinc/87/67/56/773876756.db2.gz SDKFPZPEKANETG-HOTGVXAUSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccnc(C)n2)C1 ZINC001058264288 773876760 /nfs/dbraw/zinc/87/67/60/773876760.db2.gz SDKFPZPEKANETG-HOTGVXAUSA-N 1 1 327.432 0.968 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058265621 773880144 /nfs/dbraw/zinc/88/01/44/773880144.db2.gz NAOJVHXPJFJXEY-LSDHHAIUSA-N 1 1 328.420 0.918 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001058287834 773922191 /nfs/dbraw/zinc/92/21/91/773922191.db2.gz GJIGKJFIMYVTLY-UHFFFAOYSA-N 1 1 336.436 0.731 20 30 ECEDMO C#CCCCCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058307225 773944315 /nfs/dbraw/zinc/94/43/15/773944315.db2.gz CCZHULSUYIGMPV-INIZCTEOSA-N 1 1 337.464 0.459 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001058317431 773963345 /nfs/dbraw/zinc/96/33/45/773963345.db2.gz WKYHBWRZXRFTAC-LSDHHAIUSA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001058317431 773963347 /nfs/dbraw/zinc/96/33/47/773963347.db2.gz WKYHBWRZXRFTAC-LSDHHAIUSA-N 1 1 329.404 0.287 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058376840 774060985 /nfs/dbraw/zinc/06/09/85/774060985.db2.gz XOENVSRRMMGSMM-CABCVRRESA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058376840 774060991 /nfs/dbraw/zinc/06/09/91/774060991.db2.gz XOENVSRRMMGSMM-CABCVRRESA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)C1 ZINC001040637003 783149979 /nfs/dbraw/zinc/14/99/79/783149979.db2.gz RXHAVMJQWVUCIZ-GZBFAFLISA-N 1 1 326.404 0.337 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)C1 ZINC001040637004 783150294 /nfs/dbraw/zinc/15/02/94/783150294.db2.gz RXHAVMJQWVUCIZ-KCQAQPDRSA-N 1 1 326.404 0.337 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](F)C(C)C ZINC001058433828 774172133 /nfs/dbraw/zinc/17/21/33/774172133.db2.gz YHXMBCMMYSXORK-LSDHHAIUSA-N 1 1 341.427 0.015 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](F)C(C)C ZINC001058433828 774172137 /nfs/dbraw/zinc/17/21/37/774172137.db2.gz YHXMBCMMYSXORK-LSDHHAIUSA-N 1 1 341.427 0.015 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 ZINC001058447206 774200091 /nfs/dbraw/zinc/20/00/91/774200091.db2.gz SHDXOVXYBLCAJV-ZFWWWQNUSA-N 1 1 328.420 0.916 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)no1 ZINC001058482373 774275988 /nfs/dbraw/zinc/27/59/88/774275988.db2.gz BIOOOCOICPLBAG-NSHDSACASA-N 1 1 341.375 0.407 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001058590311 774492244 /nfs/dbraw/zinc/49/22/44/774492244.db2.gz ZJMGYOGQAWKZBX-CVEARBPZSA-N 1 1 327.432 0.886 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnn(C)n3)C[C@H]2C)cn1 ZINC001044829840 774658210 /nfs/dbraw/zinc/65/82/10/774658210.db2.gz VILAZZPNUDFZSY-DOMZBBRYSA-N 1 1 339.403 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C/C=C(\C)C=C)C1 ZINC001044925389 774736919 /nfs/dbraw/zinc/73/69/19/774736919.db2.gz UFHOCXWCRZBJEM-AHQMPEJBSA-N 1 1 345.443 0.296 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C/C=C(\C)C=C)C1 ZINC001044925389 774736925 /nfs/dbraw/zinc/73/69/25/774736925.db2.gz UFHOCXWCRZBJEM-AHQMPEJBSA-N 1 1 345.443 0.296 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001045002851 774821902 /nfs/dbraw/zinc/82/19/02/774821902.db2.gz JQSTUGRUGDYGRD-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(c4nccnc4C#N)[C@H]3C2)C1 ZINC001045041254 774886225 /nfs/dbraw/zinc/88/62/25/774886225.db2.gz LCJOMWKCHMONFL-LZWOXQAQSA-N 1 1 340.431 0.727 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(c4cncc(C#N)n4)[C@H]3C2)C1 ZINC001045041303 774886786 /nfs/dbraw/zinc/88/67/86/774886786.db2.gz NDJFIHAWUUFNQF-LZWOXQAQSA-N 1 1 340.431 0.727 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2cnc[nH]2)C1=O ZINC001045062344 774918149 /nfs/dbraw/zinc/91/81/49/774918149.db2.gz YKWNGJFSKNQIBC-JKSUJKDBSA-N 1 1 345.447 0.710 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001045068220 774926769 /nfs/dbraw/zinc/92/67/69/774926769.db2.gz BKVYUWBLNPVAIX-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001045069121 774928827 /nfs/dbraw/zinc/92/88/27/774928827.db2.gz PEVBCGRKCQLUER-HUUCEWRRSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nc(C)no1 ZINC001045073483 774936461 /nfs/dbraw/zinc/93/64/61/774936461.db2.gz HJFNNXHDWQSEMX-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nc(C)no1 ZINC001045073483 774936464 /nfs/dbraw/zinc/93/64/64/774936464.db2.gz HJFNNXHDWQSEMX-GJZGRUSLSA-N 1 1 331.420 0.556 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)c(C#N)cn1 ZINC001043876083 775180120 /nfs/dbraw/zinc/18/01/20/775180120.db2.gz SKLKLMLCMNFARP-FMKPAKJESA-N 1 1 329.404 0.022 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cn(CC)nn2)nn1 ZINC001045231851 775189674 /nfs/dbraw/zinc/18/96/74/775189674.db2.gz FBWHFEZOFNKGAY-AWEZNQCLSA-N 1 1 344.423 0.470 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001045458363 775640343 /nfs/dbraw/zinc/64/03/43/775640343.db2.gz BIGQGYVLEVEDES-HNNXBMFYSA-N 1 1 337.464 0.905 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)CCC)C1 ZINC001045485308 775686856 /nfs/dbraw/zinc/68/68/56/775686856.db2.gz RCKNFFGLWRDQSX-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)CCC)C1 ZINC001045485308 775686867 /nfs/dbraw/zinc/68/68/67/775686867.db2.gz RCKNFFGLWRDQSX-HNNXBMFYSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001044189705 775885964 /nfs/dbraw/zinc/88/59/64/775885964.db2.gz ZAPFFLCLYRRMNC-GOEBONIOSA-N 1 1 334.464 0.258 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070035205 790402310 /nfs/dbraw/zinc/40/23/10/790402310.db2.gz OIZADMSMKCRUIV-CVEARBPZSA-N 1 1 339.403 0.557 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070035205 790402315 /nfs/dbraw/zinc/40/23/15/790402315.db2.gz OIZADMSMKCRUIV-CVEARBPZSA-N 1 1 339.403 0.557 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044302963 776101347 /nfs/dbraw/zinc/10/13/47/776101347.db2.gz PVEXWATUMGOKDW-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044303046 776102414 /nfs/dbraw/zinc/10/24/14/776102414.db2.gz RXYAKWCDNVOQSS-KBPBESRZSA-N 1 1 325.453 0.476 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2nccc2C)[C@@H](n2ccnn2)C1 ZINC001070043945 790434014 /nfs/dbraw/zinc/43/40/14/790434014.db2.gz RJSUFRCYEACMIR-CABCVRRESA-N 1 1 329.408 0.401 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001044460709 776321422 /nfs/dbraw/zinc/32/14/22/776321422.db2.gz XQQOQCVKBDNMAT-KRWDZBQOSA-N 1 1 335.448 0.374 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001044479008 776340931 /nfs/dbraw/zinc/34/09/31/776340931.db2.gz QLKNXPVZLPSWIE-CABCVRRESA-N 1 1 349.475 0.905 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001044538901 776410161 /nfs/dbraw/zinc/41/01/61/776410161.db2.gz SSMBQCTYUIFYFH-YUELXQCFSA-N 1 1 329.404 0.103 20 30 ECEDMO Cc1cc(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)c(C#N)cn1 ZINC001044546714 776417101 /nfs/dbraw/zinc/41/71/01/776417101.db2.gz FPWORDQVBZTSGN-MJEQTWJJSA-N 1 1 343.431 0.269 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)n1 ZINC001044547984 776419136 /nfs/dbraw/zinc/41/91/36/776419136.db2.gz SLJDEGDRSVABMX-MAZHCROVSA-N 1 1 343.431 0.269 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001079618634 776535340 /nfs/dbraw/zinc/53/53/40/776535340.db2.gz GJECCKKLYZMBOI-FMKPAKJESA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnn3CC)C2)C1=O ZINC001079618634 776535348 /nfs/dbraw/zinc/53/53/48/776535348.db2.gz GJECCKKLYZMBOI-FMKPAKJESA-N 1 1 345.447 0.740 20 30 ECEDMO CCN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079637938 776580759 /nfs/dbraw/zinc/58/07/59/776580759.db2.gz RKHVMNCEWWMQNF-UHFFFAOYSA-N 1 1 331.420 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)C(C)C)O2 ZINC001068519368 790461687 /nfs/dbraw/zinc/46/16/87/790461687.db2.gz MOGQEXIRECTDBM-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)C(C)C)O2 ZINC001068519368 790461694 /nfs/dbraw/zinc/46/16/94/790461694.db2.gz MOGQEXIRECTDBM-CVEARBPZSA-N 1 1 347.459 0.616 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O ZINC001044702895 776664700 /nfs/dbraw/zinc/66/47/00/776664700.db2.gz BCVZVQLTULNDTP-PMPSAXMXSA-N 1 1 343.431 0.493 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704032 776729223 /nfs/dbraw/zinc/72/92/23/776729223.db2.gz FQFPTNOLJFETEH-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704032 776729232 /nfs/dbraw/zinc/72/92/32/776729232.db2.gz FQFPTNOLJFETEH-IAQYHMDHSA-N 1 1 343.366 0.321 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001079774836 776847121 /nfs/dbraw/zinc/84/71/21/776847121.db2.gz MPVVWDWWXOSBDT-WBVHZDCISA-N 1 1 345.443 0.182 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001079774836 776847132 /nfs/dbraw/zinc/84/71/32/776847132.db2.gz MPVVWDWWXOSBDT-WBVHZDCISA-N 1 1 345.443 0.182 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079775408 776849513 /nfs/dbraw/zinc/84/95/13/776849513.db2.gz XVQHCQFHCITCRG-GOEBONIOSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001079776459 776851412 /nfs/dbraw/zinc/85/14/12/776851412.db2.gz GXHUNPVQLLCZAT-LSDHHAIUSA-N 1 1 335.448 0.568 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001079855861 776985309 /nfs/dbraw/zinc/98/53/09/776985309.db2.gz VRFKTZCQNWBEOI-IIAWOOMASA-N 1 1 330.432 0.955 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001079855861 776985313 /nfs/dbraw/zinc/98/53/13/776985313.db2.gz VRFKTZCQNWBEOI-IIAWOOMASA-N 1 1 330.432 0.955 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1n1ccnn1 ZINC001070072259 790509759 /nfs/dbraw/zinc/50/97/59/790509759.db2.gz GKQMOJOZRUKZTH-KGLIPLIRSA-N 1 1 342.403 0.913 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1n1ccnn1 ZINC001070072259 790509770 /nfs/dbraw/zinc/50/97/70/790509770.db2.gz GKQMOJOZRUKZTH-KGLIPLIRSA-N 1 1 342.403 0.913 20 30 ECEDMO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001079983014 777190622 /nfs/dbraw/zinc/19/06/22/777190622.db2.gz OVBPSYHBNWDZCL-CYBMUJFWSA-N 1 1 334.420 0.842 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C#C)nc2)[C@@H](n2ccnn2)C1 ZINC001070080740 790535981 /nfs/dbraw/zinc/53/59/81/790535981.db2.gz WPKFXPGKPTXHRF-SJORKVTESA-N 1 1 334.383 0.333 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#C)nc2)[C@@H](n2ccnn2)C1 ZINC001070080740 790535990 /nfs/dbraw/zinc/53/59/90/790535990.db2.gz WPKFXPGKPTXHRF-SJORKVTESA-N 1 1 334.383 0.333 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(F)c[nH]3)C2)C1=O ZINC001080152206 777473461 /nfs/dbraw/zinc/47/34/61/777473461.db2.gz PMRLLILQJVPFSS-KCPJHIHWSA-N 1 1 334.395 0.991 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(F)c[nH]3)C2)C1=O ZINC001080152206 777473466 /nfs/dbraw/zinc/47/34/66/777473466.db2.gz PMRLLILQJVPFSS-KCPJHIHWSA-N 1 1 334.395 0.991 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 ZINC001068552147 790546649 /nfs/dbraw/zinc/54/66/49/790546649.db2.gz KLIFHNRIQADPKZ-JOCQHMNTSA-N 1 1 325.376 0.860 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080359453 777747290 /nfs/dbraw/zinc/74/72/90/777747290.db2.gz NOFLPESSFYFPMO-KCPJHIHWSA-N 1 1 327.388 0.176 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360909 777748476 /nfs/dbraw/zinc/74/84/76/777748476.db2.gz NDQOUWZJZKNHTE-JIMOISOXSA-N 1 1 333.417 0.238 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360909 777748480 /nfs/dbraw/zinc/74/84/80/777748480.db2.gz NDQOUWZJZKNHTE-JIMOISOXSA-N 1 1 333.417 0.238 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)c1 ZINC001080409670 777811346 /nfs/dbraw/zinc/81/13/46/777811346.db2.gz JWISXSGTKSSSPZ-CZUORRHYSA-N 1 1 341.415 0.138 20 30 ECEDMO O=C(C#CC1CC1)N1CC(O)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001043235140 778023840 /nfs/dbraw/zinc/02/38/40/778023840.db2.gz GMOKUJBEIPYWHV-JKSUJKDBSA-N 1 1 345.443 0.106 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2CC)[C@@H](n2ccnn2)C1 ZINC001070094926 790584888 /nfs/dbraw/zinc/58/48/88/790584888.db2.gz LSIQQOFKGWKIQF-KGLIPLIRSA-N 1 1 342.403 0.816 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2CC)[C@@H](n2ccnn2)C1 ZINC001070094926 790584893 /nfs/dbraw/zinc/58/48/93/790584893.db2.gz LSIQQOFKGWKIQF-KGLIPLIRSA-N 1 1 342.403 0.816 20 30 ECEDMO CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001080559889 778037986 /nfs/dbraw/zinc/03/79/86/778037986.db2.gz QIXXKFGDBAFUOY-ZDUSSCGKSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001043267388 778071227 /nfs/dbraw/zinc/07/12/27/778071227.db2.gz SNIXCWVLXNXRAA-HUUCEWRRSA-N 1 1 349.475 0.763 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]2C)nn1 ZINC001080578864 778083333 /nfs/dbraw/zinc/08/33/33/778083333.db2.gz DFFWUJWDXVBZHC-UMVBOHGHSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]2C)nn1 ZINC001080578864 778083342 /nfs/dbraw/zinc/08/33/42/778083342.db2.gz DFFWUJWDXVBZHC-UMVBOHGHSA-N 1 1 346.435 0.135 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043316076 778147883 /nfs/dbraw/zinc/14/78/83/778147883.db2.gz VTSRTQKAOYNUJR-HNNXBMFYSA-N 1 1 337.464 0.905 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001043319476 778152189 /nfs/dbraw/zinc/15/21/89/778152189.db2.gz FQLOYLGHOQMRNX-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3ncccc23)[C@@H](n2ccnn2)C1 ZINC001070099287 790602494 /nfs/dbraw/zinc/60/24/94/790602494.db2.gz CJSRYDSHSFEYDJ-CVEARBPZSA-N 1 1 349.398 0.833 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c3ncccc23)[C@@H](n2ccnn2)C1 ZINC001070099287 790602502 /nfs/dbraw/zinc/60/25/02/790602502.db2.gz CJSRYDSHSFEYDJ-CVEARBPZSA-N 1 1 349.398 0.833 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2C#N)C1 ZINC001043403197 778280824 /nfs/dbraw/zinc/28/08/24/778280824.db2.gz DPEQTUYBKOOPIQ-BXUZGUMPSA-N 1 1 325.376 0.812 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043429771 778313409 /nfs/dbraw/zinc/31/34/09/778313409.db2.gz FOIDQQKMQGUIQA-ZIAGYGMSSA-N 1 1 325.453 0.474 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001043432567 778322097 /nfs/dbraw/zinc/32/20/97/778322097.db2.gz IUVUKQAPUSNRIA-OAHLLOKOSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001043450408 778355203 /nfs/dbraw/zinc/35/52/03/778355203.db2.gz VANCGYLZFWERBA-INIZCTEOSA-N 1 1 349.475 0.457 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043451505 778356699 /nfs/dbraw/zinc/35/66/99/778356699.db2.gz PNUVLDNOYCNYMR-MCIONIFRSA-N 1 1 328.420 0.513 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001070102800 790614120 /nfs/dbraw/zinc/61/41/20/790614120.db2.gz XDAYCAQZLJBWCY-ILXRZTDVSA-N 1 1 331.424 0.018 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043768886 778838372 /nfs/dbraw/zinc/83/83/72/778838372.db2.gz DTPNGUIDYFFSLT-CQSZACIVSA-N 1 1 335.448 0.210 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001068620626 790730475 /nfs/dbraw/zinc/73/04/75/790730475.db2.gz PEHXWNWGPJTTHO-KBPBESRZSA-N 1 1 336.436 0.364 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001078479845 779951231 /nfs/dbraw/zinc/95/12/31/779951231.db2.gz NPPRXIOANDFMCW-AWEZNQCLSA-N 1 1 325.453 0.932 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cncn4)n3)C[C@H]21 ZINC001042292030 780004326 /nfs/dbraw/zinc/00/43/26/780004326.db2.gz LJCLUQSCLWTOHP-GDBMZVCRSA-N 1 1 336.399 0.832 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3cnccc3=O)C[C@H]21 ZINC001042291829 780004794 /nfs/dbraw/zinc/00/47/94/780004794.db2.gz HGDOTPQLYSBEQJ-JKSUJKDBSA-N 1 1 328.416 0.580 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cnccc3=O)C[C@H]21 ZINC001042292960 780007787 /nfs/dbraw/zinc/00/77/87/780007787.db2.gz ZKRBNSSABKXQGJ-HZPDHXFCSA-N 1 1 328.416 0.580 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 ZINC001042312085 780052515 /nfs/dbraw/zinc/05/25/15/780052515.db2.gz MUVLHGKMUXVXTD-YPMHNXCESA-N 1 1 328.376 0.140 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]21 ZINC001042354343 780126649 /nfs/dbraw/zinc/12/66/49/780126649.db2.gz RQVBYFDZTGMWSK-GXTWGEPZSA-N 1 1 332.404 0.598 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc(C(N)=O)cc3)C[C@@H]21 ZINC001042361175 780143704 /nfs/dbraw/zinc/14/37/04/780143704.db2.gz AYXIZPMZVONFTI-PBHICJAKSA-N 1 1 341.411 0.720 20 30 ECEDMO Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070157011 790777713 /nfs/dbraw/zinc/77/77/13/790777713.db2.gz FPXBZGCAGJWOGM-GLQYFDAESA-N 1 1 340.391 0.078 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)CCOC)CC1 ZINC001078990658 780683787 /nfs/dbraw/zinc/68/37/87/780683787.db2.gz KMPNQLBLBMCKKB-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)CCOC)CC1 ZINC001078990658 780683791 /nfs/dbraw/zinc/68/37/91/780683791.db2.gz KMPNQLBLBMCKKB-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001042776109 780795389 /nfs/dbraw/zinc/79/53/89/780795389.db2.gz FXTDGOQUJHZONX-BFYDXBDKSA-N 1 1 343.431 0.676 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nc[nH]n2)C1 ZINC001079146143 780814440 /nfs/dbraw/zinc/81/44/40/780814440.db2.gz VKZMIJJBAWBPBJ-HZPDHXFCSA-N 1 1 339.399 0.516 20 30 ECEDMO C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2cc[nH]n2)CC1 ZINC001079164605 780845501 /nfs/dbraw/zinc/84/55/01/780845501.db2.gz KSNULOCYCSOHRJ-CQSZACIVSA-N 1 1 346.435 0.614 20 30 ECEDMO C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001079164605 780845510 /nfs/dbraw/zinc/84/55/10/780845510.db2.gz KSNULOCYCSOHRJ-CQSZACIVSA-N 1 1 346.435 0.614 20 30 ECEDMO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079343272 781006844 /nfs/dbraw/zinc/00/68/44/781006844.db2.gz ASGSYRREOUGEIL-TZMCWYRMSA-N 1 1 338.477 0.643 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001042939579 781070669 /nfs/dbraw/zinc/07/06/69/781070669.db2.gz CCXXZZSMLHPJHG-INIZCTEOSA-N 1 1 349.475 0.313 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001042940403 781072007 /nfs/dbraw/zinc/07/20/07/781072007.db2.gz OKGKUFIFGFTQOS-INIZCTEOSA-N 1 1 349.475 0.598 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400564 781077887 /nfs/dbraw/zinc/07/78/87/781077887.db2.gz TUJDSTBAVLSPNL-IUODEOHRSA-N 1 1 325.376 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccn(CC)n2)C1 ZINC001042960011 781100945 /nfs/dbraw/zinc/10/09/45/781100945.db2.gz KHOFVUMHGVBEIZ-KRWDZBQOSA-N 1 1 329.448 0.643 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2ccn(CC)n2)C1 ZINC001042960011 781100949 /nfs/dbraw/zinc/10/09/49/781100949.db2.gz KHOFVUMHGVBEIZ-KRWDZBQOSA-N 1 1 329.448 0.643 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H]2CCN(CC=C)C2=O)C1 ZINC001042961086 781104308 /nfs/dbraw/zinc/10/43/08/781104308.db2.gz XQGURBMTVWCNKV-DLBZAZTESA-N 1 1 344.459 0.014 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H]2CCN(CC=C)C2=O)C1 ZINC001042961086 781104311 /nfs/dbraw/zinc/10/43/11/781104311.db2.gz XQGURBMTVWCNKV-DLBZAZTESA-N 1 1 344.459 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2nc(C)no2)C1 ZINC001042962043 781105128 /nfs/dbraw/zinc/10/51/28/781105128.db2.gz BWHKZEPNFAKDOT-DOMZBBRYSA-N 1 1 331.420 0.679 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2nc(C)no2)C1 ZINC001042962043 781105131 /nfs/dbraw/zinc/10/51/31/781105131.db2.gz BWHKZEPNFAKDOT-DOMZBBRYSA-N 1 1 331.420 0.679 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2nnc(C)o2)C1 ZINC001042963968 781108006 /nfs/dbraw/zinc/10/80/06/781108006.db2.gz WUQMBVHRCIXFFI-WFASDCNBSA-N 1 1 331.420 0.679 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2nnc(C)o2)C1 ZINC001042963968 781108008 /nfs/dbraw/zinc/10/80/08/781108008.db2.gz WUQMBVHRCIXFFI-WFASDCNBSA-N 1 1 331.420 0.679 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042968224 781114520 /nfs/dbraw/zinc/11/45/20/781114520.db2.gz GQYDACPWKJJGNX-OAHLLOKOSA-N 1 1 349.475 0.598 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042969995 781117820 /nfs/dbraw/zinc/11/78/20/781117820.db2.gz FIFFUDPBWULTIB-CQSZACIVSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001079466245 781150958 /nfs/dbraw/zinc/15/09/58/781150958.db2.gz XFIYMYZNPZVGCI-BPLDGKMQSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)nn3C)C2)C1=O ZINC001079466245 781150963 /nfs/dbraw/zinc/15/09/63/781150963.db2.gz XFIYMYZNPZVGCI-BPLDGKMQSA-N 1 1 345.447 0.566 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001043022378 781201069 /nfs/dbraw/zinc/20/10/69/781201069.db2.gz DTGFPVJMYQQOGD-INIZCTEOSA-N 1 1 349.475 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COCCCC)C1 ZINC001079527157 781224030 /nfs/dbraw/zinc/22/40/30/781224030.db2.gz GWDJNCZKKZHLFM-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COCCCC)C1 ZINC001079527157 781224035 /nfs/dbraw/zinc/22/40/35/781224035.db2.gz GWDJNCZKKZHLFM-KRWDZBQOSA-N 1 1 349.475 0.960 20 30 ECEDMO C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079593986 781297270 /nfs/dbraw/zinc/29/72/70/781297270.db2.gz RORWAYBOOCNMDE-MLGOLLRUSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079593986 781297276 /nfs/dbraw/zinc/29/72/76/781297276.db2.gz RORWAYBOOCNMDE-MLGOLLRUSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079598614 781304420 /nfs/dbraw/zinc/30/44/20/781304420.db2.gz JDFPDRXLIGXDJN-QRQLOZEOSA-N 1 1 341.455 0.805 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079598614 781304429 /nfs/dbraw/zinc/30/44/29/781304429.db2.gz JDFPDRXLIGXDJN-QRQLOZEOSA-N 1 1 341.455 0.805 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]2O)CC1 ZINC001077622437 781367833 /nfs/dbraw/zinc/36/78/33/781367833.db2.gz JUYCPXCCHTWXAY-OWCLPIDISA-N 1 1 335.448 0.515 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]2O)CC1 ZINC001077622437 781367841 /nfs/dbraw/zinc/36/78/41/781367841.db2.gz JUYCPXCCHTWXAY-OWCLPIDISA-N 1 1 335.448 0.515 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001041430352 781492195 /nfs/dbraw/zinc/49/21/95/781492195.db2.gz DIZAHFSPDHCHPB-CVEARBPZSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001041430352 781492207 /nfs/dbraw/zinc/49/22/07/781492207.db2.gz DIZAHFSPDHCHPB-CVEARBPZSA-N 1 1 345.443 0.130 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C2)C1 ZINC001041437188 781513479 /nfs/dbraw/zinc/51/34/79/781513479.db2.gz LLGVYWAFVFBPIR-OAHLLOKOSA-N 1 1 339.417 0.651 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c(C)nc[nH]c3=O)C2)C1 ZINC001041437282 781513774 /nfs/dbraw/zinc/51/37/74/781513774.db2.gz MWKQHQHUTCGLQD-SFHVURJKSA-N 1 1 328.416 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1c[nH]nc1C ZINC001077695313 781532925 /nfs/dbraw/zinc/53/29/25/781532925.db2.gz ISPHJKIUTBEWOS-WFASDCNBSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1c[nH]nc1C ZINC001077695313 781532930 /nfs/dbraw/zinc/53/29/30/781532930.db2.gz ISPHJKIUTBEWOS-WFASDCNBSA-N 1 1 331.420 0.440 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3OCC(N)=O)C2)C1 ZINC001041456421 781553231 /nfs/dbraw/zinc/55/32/31/781553231.db2.gz YAGOJGRBHFPIFT-LJQANCHMSA-N 1 1 341.411 0.722 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCCS3(=O)=O)C2)C1 ZINC001041504964 781652203 /nfs/dbraw/zinc/65/22/03/781652203.db2.gz DQICNAYUPIGPAL-RDJZCZTQSA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCCS3(=O)=O)C2)C1 ZINC001041504964 781652207 /nfs/dbraw/zinc/65/22/07/781652207.db2.gz DQICNAYUPIGPAL-RDJZCZTQSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3COCCN3CC(F)F)C2)C1 ZINC001041509984 781666956 /nfs/dbraw/zinc/66/69/56/781666956.db2.gz UEMXGXWZQKFUAW-PBHICJAKSA-N 1 1 341.402 0.510 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(C)=O)C1 ZINC001077773753 781674850 /nfs/dbraw/zinc/67/48/50/781674850.db2.gz FDSIKNOWSDUGKD-HUUCEWRRSA-N 1 1 333.363 0.582 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(C)=O)C1 ZINC001077773753 781674854 /nfs/dbraw/zinc/67/48/54/781674854.db2.gz FDSIKNOWSDUGKD-HUUCEWRRSA-N 1 1 333.363 0.582 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C2)C1 ZINC001041528609 781706301 /nfs/dbraw/zinc/70/63/01/781706301.db2.gz VWMBXAVVUXUQSI-IBGZPJMESA-N 1 1 342.443 0.958 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-n4cncn4)nc3)C2)C1 ZINC001041529580 781709065 /nfs/dbraw/zinc/70/90/65/781709065.db2.gz JLJVAVJPMQLGCI-GOSISDBHSA-N 1 1 336.399 0.834 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)nn1 ZINC001077801181 781721616 /nfs/dbraw/zinc/72/16/16/781721616.db2.gz GPFRGJRGQHYCST-SQWLQELKSA-N 1 1 349.435 0.056 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)nn1 ZINC001077813900 781746345 /nfs/dbraw/zinc/74/63/45/781746345.db2.gz IKJPAMOFLOFBRQ-IIAWOOMASA-N 1 1 349.435 0.198 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C2CCOCC2)C1 ZINC001077814106 781747240 /nfs/dbraw/zinc/74/72/40/781747240.db2.gz SXWFYHKAPIJHHG-GDBMZVCRSA-N 1 1 332.404 0.033 20 30 ECEDMO NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001041618173 781865386 /nfs/dbraw/zinc/86/53/86/781865386.db2.gz SAJJJWNTTGRHCY-GOSISDBHSA-N 1 1 329.375 0.587 20 30 ECEDMO CC#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001077903737 781907845 /nfs/dbraw/zinc/90/78/45/781907845.db2.gz QJUBABKZRINZBD-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO CC#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001077903737 781907854 /nfs/dbraw/zinc/90/78/54/781907854.db2.gz QJUBABKZRINZBD-JKSUJKDBSA-N 1 1 337.464 0.912 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(c3ccncc3C#N)CCCO2)C1 ZINC001039915380 783275781 /nfs/dbraw/zinc/27/57/81/783275781.db2.gz QMKJAJNVEWNJLE-GDBMZVCRSA-N 1 1 343.431 0.616 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001040040948 783423434 /nfs/dbraw/zinc/42/34/34/783423434.db2.gz MLNRTSVNYKPUGU-MAUKXSAKSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001040047124 783435476 /nfs/dbraw/zinc/43/54/76/783435476.db2.gz JEWJRKBHLVLNSH-GOSISDBHSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001040047336 783436334 /nfs/dbraw/zinc/43/63/34/783436334.db2.gz LCRGQUUABWYXNE-KRWDZBQOSA-N 1 1 325.453 0.763 20 30 ECEDMO C=CCCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040807965 783477649 /nfs/dbraw/zinc/47/76/49/783477649.db2.gz YVENDIYDMQVNQC-HNAYVOBHSA-N 1 1 349.475 0.907 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070168162 783584428 /nfs/dbraw/zinc/58/44/28/783584428.db2.gz WDPATWKKIDWMEC-UHFFFAOYSA-N 1 1 344.415 0.387 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 ZINC001070169170 783585461 /nfs/dbraw/zinc/58/54/61/783585461.db2.gz LUMBUOZGBUBJKX-LBPRGKRZSA-N 1 1 333.392 0.133 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070248121 783737306 /nfs/dbraw/zinc/73/73/06/783737306.db2.gz PYLNLHOIVCVQMO-CABCVRRESA-N 1 1 330.436 0.127 20 30 ECEDMO C=CCCC(=O)NCC1(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCOCC1 ZINC001070254553 783751114 /nfs/dbraw/zinc/75/11/14/783751114.db2.gz OTGBKUHFAFTZBI-HUUCEWRRSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]cnc32)C[C@@H]1n1ccnn1 ZINC001070301107 783805820 /nfs/dbraw/zinc/80/58/20/783805820.db2.gz KTFDQQDLALNLLA-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1n1ccnn1 ZINC001070305461 783811125 /nfs/dbraw/zinc/81/11/25/783811125.db2.gz ZABHTXMWFNCLGN-SJORKVTESA-N 1 1 344.463 0.373 20 30 ECEDMO C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnn[nH]2)CC1 ZINC001070374092 783913343 /nfs/dbraw/zinc/91/33/43/783913343.db2.gz SKZKSGUVILUMIH-CJNGLKHVSA-N 1 1 346.435 0.470 20 30 ECEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ncn[nH]2)CC1 ZINC001070380517 783918589 /nfs/dbraw/zinc/91/85/89/783918589.db2.gz KSLOMXSQDGOOCS-OCCSQVGLSA-N 1 1 332.408 0.080 20 30 ECEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2nc[nH]n2)CC1 ZINC001070380517 783918597 /nfs/dbraw/zinc/91/85/97/783918597.db2.gz KSLOMXSQDGOOCS-OCCSQVGLSA-N 1 1 332.408 0.080 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CCOC2)C1 ZINC001070384895 783926406 /nfs/dbraw/zinc/92/64/06/783926406.db2.gz QMRQYZQQLHYAGX-HOTGVXAUSA-N 1 1 329.400 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CCOC2)C1 ZINC001070384895 783926409 /nfs/dbraw/zinc/92/64/09/783926409.db2.gz QMRQYZQQLHYAGX-HOTGVXAUSA-N 1 1 329.400 0.821 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2csnn2)C1 ZINC001070386181 783931754 /nfs/dbraw/zinc/93/17/54/783931754.db2.gz BUVJSUCLVJRBJX-ZDUSSCGKSA-N 1 1 343.412 0.949 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2csnn2)C1 ZINC001070386181 783931764 /nfs/dbraw/zinc/93/17/64/783931764.db2.gz BUVJSUCLVJRBJX-ZDUSSCGKSA-N 1 1 343.412 0.949 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cnn(C)n2)C1 ZINC001070387418 783935500 /nfs/dbraw/zinc/93/55/00/783935500.db2.gz OWQAMPLOUHPYFR-AWEZNQCLSA-N 1 1 342.403 0.779 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C[C@H]2CCNC(=O)CC2)c[nH]1 ZINC001038173547 783949818 /nfs/dbraw/zinc/94/98/18/783949818.db2.gz AHHKECYZGRHUBZ-IUODEOHRSA-N 1 1 329.404 0.607 20 30 ECEDMO Cn1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)cc1=O ZINC001038175195 783951023 /nfs/dbraw/zinc/95/10/23/783951023.db2.gz MSBWGYJLKFKJEJ-HNNXBMFYSA-N 1 1 325.372 0.589 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)cc1=O ZINC001038175195 783951027 /nfs/dbraw/zinc/95/10/27/783951027.db2.gz MSBWGYJLKFKJEJ-HNNXBMFYSA-N 1 1 325.372 0.589 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2)C1 ZINC001070396552 783960004 /nfs/dbraw/zinc/96/00/04/783960004.db2.gz SRSKUMVUYZSFJU-ZDUSSCGKSA-N 1 1 326.404 0.886 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COCCO2)C1 ZINC001070398008 783963005 /nfs/dbraw/zinc/96/30/05/783963005.db2.gz MVPQAORUUUHHJA-DZGCQCFKSA-N 1 1 334.420 0.807 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001070403389 783978998 /nfs/dbraw/zinc/97/89/98/783978998.db2.gz RJXLAHFLVIQSMH-HOCLYGCPSA-N 1 1 347.463 0.722 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COCCN2C)C1 ZINC001070405027 783983078 /nfs/dbraw/zinc/98/30/78/783983078.db2.gz WYWMTQROIOGRPM-GOEBONIOSA-N 1 1 345.447 0.169 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCN2C)C1 ZINC001070405023 783983290 /nfs/dbraw/zinc/98/32/90/783983290.db2.gz WUMIRYOSJXYEPW-ZFWWWQNUSA-N 1 1 333.436 0.332 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn3cccnc3n2)C1 ZINC001070414006 784011062 /nfs/dbraw/zinc/01/10/62/784011062.db2.gz BSVPCCKGUXYYIV-CYBMUJFWSA-N 1 1 349.398 0.805 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cncn2C)C1 ZINC001070417220 784020864 /nfs/dbraw/zinc/02/08/64/784020864.db2.gz XFPKQEMECIWZDH-ZDUSSCGKSA-N 1 1 326.404 0.886 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001070419545 784024877 /nfs/dbraw/zinc/02/48/77/784024877.db2.gz BRGSRNFDUAAGCM-NSHDSACASA-N 1 1 330.392 0.754 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001070420342 784028652 /nfs/dbraw/zinc/02/86/52/784028652.db2.gz XCGPDWUSDAOWLF-GXTWGEPZSA-N 1 1 329.404 0.069 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001070424285 784040280 /nfs/dbraw/zinc/04/02/80/784040280.db2.gz GTHQPAMIHDJYKL-LLVKDONJSA-N 1 1 340.387 0.189 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001070424914 784040706 /nfs/dbraw/zinc/04/07/06/784040706.db2.gz XDTQPNRZUYQKSM-HIFRSBDPSA-N 1 1 343.431 0.507 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001070425995 784041881 /nfs/dbraw/zinc/04/18/81/784041881.db2.gz LYYNWKRKLIATPK-VHDGCEQUSA-N 1 1 345.447 0.726 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001070426257 784041975 /nfs/dbraw/zinc/04/19/75/784041975.db2.gz QWEODLPDTYFWOK-VHDGCEQUSA-N 1 1 343.431 0.173 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001070429561 784049365 /nfs/dbraw/zinc/04/93/65/784049365.db2.gz KBSBHKJGMGKRHX-NSHDSACASA-N 1 1 342.403 0.742 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001070434375 784063123 /nfs/dbraw/zinc/06/31/23/784063123.db2.gz TVZYCCBISAVAOD-UKRRQHHQSA-N 1 1 343.431 0.459 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)[C@@H](C)OC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440810 784078741 /nfs/dbraw/zinc/07/87/41/784078741.db2.gz MRKCPJRIDOBVDQ-TZMCWYRMSA-N 1 1 333.436 0.952 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)[C@H](C)OC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440807 784079365 /nfs/dbraw/zinc/07/93/65/784079365.db2.gz MRKCPJRIDOBVDQ-GXTWGEPZSA-N 1 1 333.436 0.952 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1cn[nH]c1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441578 784081550 /nfs/dbraw/zinc/08/15/50/784081550.db2.gz XSAJWWKYXDIHTC-CQSZACIVSA-N 1 1 341.419 0.954 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001070907292 784093068 /nfs/dbraw/zinc/09/30/68/784093068.db2.gz PEEVKHCKMPDCOE-CFVMTHIKSA-N 1 1 346.387 0.970 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)C(C)(C)C(N)=O)C[C@H]2c1nnc(C)[nH]1 ZINC001070446230 784100421 /nfs/dbraw/zinc/10/04/21/784100421.db2.gz XCQQDGQQRYDWEP-LBPRGKRZSA-N 1 1 346.435 0.038 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001070911631 784101972 /nfs/dbraw/zinc/10/19/72/784101972.db2.gz GRPGWHXHMUMXDC-KFWWJZLASA-N 1 1 349.431 0.277 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001070911631 784101977 /nfs/dbraw/zinc/10/19/77/784101977.db2.gz GRPGWHXHMUMXDC-KFWWJZLASA-N 1 1 349.431 0.277 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001070915417 784107005 /nfs/dbraw/zinc/10/70/05/784107005.db2.gz YJMPKCQMVQFWHT-YUTCNCBUSA-N 1 1 346.391 0.100 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070453504 784118865 /nfs/dbraw/zinc/11/88/65/784118865.db2.gz SKZWVZZOTUKRDM-CYBMUJFWSA-N 1 1 326.466 0.692 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC001070947199 784193794 /nfs/dbraw/zinc/19/37/94/784193794.db2.gz MGYYZZUQFXNOMW-HUUCEWRRSA-N 1 1 336.436 0.223 20 30 ECEDMO C[C@@H](F)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955033 784215382 /nfs/dbraw/zinc/21/53/82/784215382.db2.gz HKEGOORKOCSXHW-CYBMUJFWSA-N 1 1 349.410 0.899 20 30 ECEDMO C[C@@H](F)CC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955033 784215388 /nfs/dbraw/zinc/21/53/88/784215388.db2.gz HKEGOORKOCSXHW-CYBMUJFWSA-N 1 1 349.410 0.899 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CC2OCCCO2)CC1 ZINC001070957410 784224938 /nfs/dbraw/zinc/22/49/38/784224938.db2.gz CCOSEYDBOQUFLQ-UHFFFAOYSA-N 1 1 339.436 0.366 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CC2OCCCO2)CC1 ZINC001070957410 784224944 /nfs/dbraw/zinc/22/49/44/784224944.db2.gz CCOSEYDBOQUFLQ-UHFFFAOYSA-N 1 1 339.436 0.366 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001070976586 784292988 /nfs/dbraw/zinc/29/29/88/784292988.db2.gz IZVXRRVKUKQCQR-UHFFFAOYSA-N 1 1 349.435 0.186 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnnc2C)CC1 ZINC001070977865 784297974 /nfs/dbraw/zinc/29/79/74/784297974.db2.gz NDVUHEZZTWZJBG-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnnc2C)CC1 ZINC001070977865 784297982 /nfs/dbraw/zinc/29/79/82/784297982.db2.gz NDVUHEZZTWZJBG-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2(COC)CC2)C1 ZINC001070980616 784309306 /nfs/dbraw/zinc/30/93/06/784309306.db2.gz NQGHBMOOSUGQAY-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C2(COC)CC2)C1 ZINC001070980616 784309311 /nfs/dbraw/zinc/30/93/11/784309311.db2.gz NQGHBMOOSUGQAY-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@]2(C)CCO[C@@H]2C)CC1 ZINC001070984128 784320870 /nfs/dbraw/zinc/32/08/70/784320870.db2.gz VGQGBCJNJNQBBK-QAPCUYQASA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@]2(C)CCO[C@@H]2C)CC1 ZINC001070984128 784320874 /nfs/dbraw/zinc/32/08/74/784320874.db2.gz VGQGBCJNJNQBBK-QAPCUYQASA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC001070998898 784365316 /nfs/dbraw/zinc/36/53/16/784365316.db2.gz ZGMJCWMSHHHAOX-UHFFFAOYSA-N 1 1 344.415 0.383 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC001070998898 784365325 /nfs/dbraw/zinc/36/53/25/784365325.db2.gz ZGMJCWMSHHHAOX-UHFFFAOYSA-N 1 1 344.415 0.383 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001071004430 784380493 /nfs/dbraw/zinc/38/04/93/784380493.db2.gz FLNMKJGGMUMUBE-UHFFFAOYSA-N 1 1 347.463 0.843 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C)[nH]c2=O)CC1 ZINC001071004592 784381588 /nfs/dbraw/zinc/38/15/88/784381588.db2.gz LECHJNXCSSLSKC-UHFFFAOYSA-N 1 1 346.431 0.936 20 30 ECEDMO N#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001071008149 784394111 /nfs/dbraw/zinc/39/41/11/784394111.db2.gz KVTXCFYVBSGOPJ-HZPDHXFCSA-N 1 1 347.463 0.177 20 30 ECEDMO N#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001071008150 784394419 /nfs/dbraw/zinc/39/44/19/784394419.db2.gz KVTXCFYVBSGOPJ-JKSUJKDBSA-N 1 1 347.463 0.177 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001071007969 784394589 /nfs/dbraw/zinc/39/45/89/784394589.db2.gz ANLLANCWDCVWBJ-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCn2cccc2)CC1 ZINC001071010350 784402507 /nfs/dbraw/zinc/40/25/07/784402507.db2.gz HHKLRPGGIMIFRF-UHFFFAOYSA-N 1 1 330.432 0.552 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCn2cccc2)CC1 ZINC001071010350 784402513 /nfs/dbraw/zinc/40/25/13/784402513.db2.gz HHKLRPGGIMIFRF-UHFFFAOYSA-N 1 1 330.432 0.552 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]n2)n1 ZINC001070597932 784409645 /nfs/dbraw/zinc/40/96/45/784409645.db2.gz CNVARLXOKDTSHE-STQMWFEESA-N 1 1 343.391 0.366 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCNC2=O)n1 ZINC001070598264 784411062 /nfs/dbraw/zinc/41/10/62/784411062.db2.gz VVDVQMNROSNXOQ-MELADBBJSA-N 1 1 347.419 0.233 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnon2)n1 ZINC001070599390 784413416 /nfs/dbraw/zinc/41/34/16/784413416.db2.gz XXXSVQHNFOUSAE-STQMWFEESA-N 1 1 344.375 0.631 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2cccnc2)CC1 ZINC001071015585 784420720 /nfs/dbraw/zinc/42/07/20/784420720.db2.gz KWSHDZYLNSIQMN-MRXNPFEDSA-N 1 1 342.443 0.859 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2cccnc2)CC1 ZINC001071015585 784420725 /nfs/dbraw/zinc/42/07/25/784420725.db2.gz KWSHDZYLNSIQMN-MRXNPFEDSA-N 1 1 342.443 0.859 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2nc[nH]n2)n1 ZINC001070605411 784426356 /nfs/dbraw/zinc/42/63/56/784426356.db2.gz MQHMDPCKJLYMFD-QWHCGFSZSA-N 1 1 345.407 0.458 20 30 ECEDMO C=CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2nnc[nH]2)n1 ZINC001070605411 784426363 /nfs/dbraw/zinc/42/63/63/784426363.db2.gz MQHMDPCKJLYMFD-QWHCGFSZSA-N 1 1 345.407 0.458 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2nnc[nH]2)n1 ZINC001070605411 784426366 /nfs/dbraw/zinc/42/63/66/784426366.db2.gz MQHMDPCKJLYMFD-QWHCGFSZSA-N 1 1 345.407 0.458 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 ZINC001070605632 784426526 /nfs/dbraw/zinc/42/65/26/784426526.db2.gz SOVWNEYIEJNTHH-WDEREUQCSA-N 1 1 341.799 0.149 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 ZINC001070605632 784426531 /nfs/dbraw/zinc/42/65/31/784426531.db2.gz SOVWNEYIEJNTHH-WDEREUQCSA-N 1 1 341.799 0.149 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2nccs2)CC1 ZINC001071020410 784436986 /nfs/dbraw/zinc/43/69/86/784436986.db2.gz AXATVSFXVWWXBV-UHFFFAOYSA-N 1 1 348.472 0.750 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2nccs2)CC1 ZINC001071020410 784436989 /nfs/dbraw/zinc/43/69/89/784436989.db2.gz AXATVSFXVWWXBV-UHFFFAOYSA-N 1 1 348.472 0.750 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[C@H]2OC)CC1 ZINC001071022942 784448383 /nfs/dbraw/zinc/44/83/83/784448383.db2.gz JNVZJHYCZOVPNJ-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[C@H]2OC)CC1 ZINC001071022942 784448385 /nfs/dbraw/zinc/44/83/85/784448385.db2.gz JNVZJHYCZOVPNJ-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070634921 784469786 /nfs/dbraw/zinc/46/97/86/784469786.db2.gz MKRHHQGMBHSCCT-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070634921 784469792 /nfs/dbraw/zinc/46/97/92/784469792.db2.gz MKRHHQGMBHSCCT-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001071054723 784491404 /nfs/dbraw/zinc/49/14/04/784491404.db2.gz FBRTWBNNWOXJKN-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 ZINC001071086142 784528337 /nfs/dbraw/zinc/52/83/37/784528337.db2.gz RCAOGBJHOWUKCN-LESCRADOSA-N 1 1 334.464 0.980 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC([C@@H]3OCC[C@H]3NCC#N)CC2)C1 ZINC001071087269 784529765 /nfs/dbraw/zinc/52/97/65/784529765.db2.gz WAPAAKBKACHLHE-LESCRADOSA-N 1 1 334.464 0.837 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001070708908 784576709 /nfs/dbraw/zinc/57/67/09/784576709.db2.gz JNFMPHJIONDUEL-CABCVRRESA-N 1 1 335.448 0.474 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001070708908 784576712 /nfs/dbraw/zinc/57/67/12/784576712.db2.gz JNFMPHJIONDUEL-CABCVRRESA-N 1 1 335.448 0.474 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1nnc[nH]1)C[C@H](C)O2 ZINC001071151411 784612081 /nfs/dbraw/zinc/61/20/81/784612081.db2.gz HSYKVWOZMCNTGP-YOEHRIQHSA-N 1 1 331.420 0.452 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cncnc1)C[C@H](C)O2 ZINC001071163922 784636984 /nfs/dbraw/zinc/63/69/84/784636984.db2.gz DHCNLHSRSHRIDK-MAUKXSAKSA-N 1 1 328.416 0.734 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@@H+](CCn3cccn3)C2)O1 ZINC001071166081 784640153 /nfs/dbraw/zinc/64/01/53/784640153.db2.gz BQFNXSOOTDVNIR-QFBILLFUSA-N 1 1 342.443 0.988 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@H](C)O2 ZINC001071169732 784649183 /nfs/dbraw/zinc/64/91/83/784649183.db2.gz VZWBVPYMXDZYGG-GUYCJALGSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@H](C)O2 ZINC001071169732 784649186 /nfs/dbraw/zinc/64/91/86/784649186.db2.gz VZWBVPYMXDZYGG-GUYCJALGSA-N 1 1 330.388 0.424 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3[nH]cnc3c1)C[C@H](C)O2 ZINC001071171519 784653947 /nfs/dbraw/zinc/65/39/47/784653947.db2.gz ODUYSAWSQLPQLL-UGSOOPFHSA-N 1 1 339.399 0.897 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1C)C[C@H](C)O2 ZINC001071173833 784660558 /nfs/dbraw/zinc/66/05/58/784660558.db2.gz OIHVJZAPGMAMAA-HNAYVOBHSA-N 1 1 344.459 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3n1CCOC3)C[C@H](C)O2 ZINC001071175964 784665176 /nfs/dbraw/zinc/66/51/76/784665176.db2.gz OFKYWEUUDPVFGF-KSSFIOAISA-N 1 1 344.415 0.352 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3ccncc13)C[C@H](C)O2 ZINC001071175696 784665251 /nfs/dbraw/zinc/66/52/51/784665251.db2.gz IZPVVVFEYSZODT-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3ccncc13)C[C@H](C)O2 ZINC001071175696 784665259 /nfs/dbraw/zinc/66/52/59/784665259.db2.gz IZPVVVFEYSZODT-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccn(C)c(=O)c1)C[C@@H](C)O2 ZINC001071181440 784680567 /nfs/dbraw/zinc/68/05/67/784680567.db2.gz XSAXZQBGKSLXMA-BEFAXECRSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccn(CCOC)n1)C[C@H](C)O2 ZINC001071188734 784693196 /nfs/dbraw/zinc/69/31/96/784693196.db2.gz ADHOOMQIMVHPND-YJBOKZPZSA-N 1 1 346.431 0.468 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccn(CCOC)n1)C[C@H](C)O2 ZINC001071188734 784693198 /nfs/dbraw/zinc/69/31/98/784693198.db2.gz ADHOOMQIMVHPND-YJBOKZPZSA-N 1 1 346.431 0.468 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@H](C)O2 ZINC001071188870 784693236 /nfs/dbraw/zinc/69/32/36/784693236.db2.gz CBTXINVHOSEGMD-UGSOOPFHSA-N 1 1 345.399 0.707 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@H](C)O2 ZINC001071191057 784700254 /nfs/dbraw/zinc/70/02/54/784700254.db2.gz AARVAACYUQREKD-KBXCAEBGSA-N 1 1 344.415 0.109 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@H](C)O2 ZINC001071191059 784700681 /nfs/dbraw/zinc/70/06/81/784700681.db2.gz AARVAACYUQREKD-KSSFIOAISA-N 1 1 344.415 0.109 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cncc1C)C[C@H](C)O2 ZINC001071192771 784706111 /nfs/dbraw/zinc/70/61/11/784706111.db2.gz RKPMAHQESUYAQO-FUHWJXTLSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@H](C)O2 ZINC001071203992 784730031 /nfs/dbraw/zinc/73/00/31/784730031.db2.gz LDMSPQWVQRJPHG-WMLDXEAASA-N 1 1 334.420 0.677 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](Cc3ccccc3C#N)C2)O1 ZINC001071207047 784736572 /nfs/dbraw/zinc/73/65/72/784736572.db2.gz UESOIWWRXCNYPH-UGSOOPFHSA-N 1 1 342.399 0.235 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](Cc3ccccc3C#N)C2)O1 ZINC001071207047 784736580 /nfs/dbraw/zinc/73/65/80/784736580.db2.gz UESOIWWRXCNYPH-UGSOOPFHSA-N 1 1 342.399 0.235 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@]2(CCN(CC#N)C2)O1 ZINC001071208933 784739554 /nfs/dbraw/zinc/73/95/54/784739554.db2.gz BRQCRMIAEQZODI-MAUKXSAKSA-N 1 1 334.464 0.934 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@@H](C)O2 ZINC001071209341 784740683 /nfs/dbraw/zinc/74/06/83/784740683.db2.gz IIZLXJTZZWFIOG-RHSMWYFYSA-N 1 1 333.436 0.626 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)[nH]1)C[C@H](C)O2 ZINC001071209314 784741303 /nfs/dbraw/zinc/74/13/03/784741303.db2.gz IAFYDVLVUJSTPU-GUYCJALGSA-N 1 1 332.404 0.454 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC=C)nn1)C[C@H](C)O2 ZINC001071216864 784758235 /nfs/dbraw/zinc/75/82/35/784758235.db2.gz XITYAMQSTBWQRU-WMLDXEAASA-N 1 1 329.404 0.403 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(CC=C)nn1)C[C@H](C)O2 ZINC001071216864 784758241 /nfs/dbraw/zinc/75/82/41/784758241.db2.gz XITYAMQSTBWQRU-WMLDXEAASA-N 1 1 329.404 0.403 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001070863269 784763972 /nfs/dbraw/zinc/76/39/72/784763972.db2.gz RLPIIAUZPVMXFU-CQSZACIVSA-N 1 1 331.420 0.947 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(COC)on1)C[C@H](C)O2 ZINC001071219272 784764974 /nfs/dbraw/zinc/76/49/74/784764974.db2.gz UPEQNDSTZWMQRW-SUMWQHHRSA-N 1 1 333.388 0.760 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(COC)on1)C[C@H](C)O2 ZINC001071219272 784764981 /nfs/dbraw/zinc/76/49/81/784764981.db2.gz UPEQNDSTZWMQRW-SUMWQHHRSA-N 1 1 333.388 0.760 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)C[C@@H](C)O2 ZINC001071219933 784765871 /nfs/dbraw/zinc/76/58/71/784765871.db2.gz AJFMIQWPTSBYAA-DYVFJYSZSA-N 1 1 342.403 0.616 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)C[C@@H](C)O2 ZINC001071221646 784772483 /nfs/dbraw/zinc/77/24/83/784772483.db2.gz TYGGOAHSGAQJIW-CXAGYDPISA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)C[C@@H](C)O2 ZINC001071221646 784772490 /nfs/dbraw/zinc/77/24/90/784772490.db2.gz TYGGOAHSGAQJIW-CXAGYDPISA-N 1 1 340.387 0.063 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nc(C)ccc1=O)C[C@H](C)O2 ZINC001071229800 784790881 /nfs/dbraw/zinc/79/08/81/784790881.db2.gz ACDLZTSBROOLHA-YJBOKZPZSA-N 1 1 346.431 0.430 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CCCO)C3)C2)nc1 ZINC001071230552 784792594 /nfs/dbraw/zinc/79/25/94/784792594.db2.gz IXMPXLMDSMWZJS-KXBFYZLASA-N 1 1 343.427 0.751 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)C[C@H](C)O2 ZINC001071230764 784793026 /nfs/dbraw/zinc/79/30/26/784793026.db2.gz KOLPSHREBHTIBI-SUMWQHHRSA-N 1 1 332.404 0.977 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)C[C@@H](C)O2 ZINC001071245733 784826601 /nfs/dbraw/zinc/82/66/01/784826601.db2.gz IUNRVEQQQYCCPT-FZKQIMNGSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(C(N)=O)n1)C[C@H](C)O2 ZINC001071246050 784827636 /nfs/dbraw/zinc/82/76/36/784827636.db2.gz NVMDLYOMUNTJSS-SCLBCKFNSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc(C(N)=O)n1)C[C@H](C)O2 ZINC001071246050 784827638 /nfs/dbraw/zinc/82/76/38/784827638.db2.gz NVMDLYOMUNTJSS-SCLBCKFNSA-N 1 1 342.399 0.119 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cnns3)C2)C(=O)C1 ZINC001071255248 784850111 /nfs/dbraw/zinc/85/01/11/784850111.db2.gz JFGZMIHKDPOGOA-ZDUSSCGKSA-N 1 1 349.460 0.863 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cnns3)C2)C(=O)C1 ZINC001071255248 784850114 /nfs/dbraw/zinc/85/01/14/784850114.db2.gz JFGZMIHKDPOGOA-ZDUSSCGKSA-N 1 1 349.460 0.863 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277261 784922689 /nfs/dbraw/zinc/92/26/89/784922689.db2.gz OAQIVHCDCIJEFR-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)C1 ZINC001068753955 791076182 /nfs/dbraw/zinc/07/61/82/791076182.db2.gz VKTYQPSOTWTVFA-QAPCUYQASA-N 1 1 347.459 0.925 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc3c2nnn3C)CC[C@@H]1C ZINC001071772438 785082229 /nfs/dbraw/zinc/08/22/29/785082229.db2.gz KWRPECPEHAEQQH-STQMWFEESA-N 1 1 326.404 0.969 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C ZINC001071859757 785232437 /nfs/dbraw/zinc/23/24/37/785232437.db2.gz DKLFWCKOBDNIIS-QWHCGFSZSA-N 1 1 334.420 0.243 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001071879469 785262172 /nfs/dbraw/zinc/26/21/72/785262172.db2.gz DDOKTEIYESJVNO-UKRRQHHQSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001071879469 785262182 /nfs/dbraw/zinc/26/21/82/785262182.db2.gz DDOKTEIYESJVNO-UKRRQHHQSA-N 1 1 343.435 0.981 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[C@@H]1C ZINC001071890602 785278719 /nfs/dbraw/zinc/27/87/19/785278719.db2.gz OWWJPZDPRFTFQT-LSDHHAIUSA-N 1 1 346.435 0.171 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC[C@@H]1C ZINC001071931687 785355153 /nfs/dbraw/zinc/35/51/53/785355153.db2.gz YWQHHJQGFDTWPH-AAEUAGOBSA-N 1 1 332.404 0.731 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1C ZINC001071969037 785439408 /nfs/dbraw/zinc/43/94/08/785439408.db2.gz YMJPQAZTJRYNOF-QWHCGFSZSA-N 1 1 334.420 0.309 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)CC[C@H]1C ZINC001071662633 785476534 /nfs/dbraw/zinc/47/65/34/785476534.db2.gz DXQSGXVWRNMBTC-UKRRQHHQSA-N 1 1 329.400 0.767 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1C ZINC001071987462 785481984 /nfs/dbraw/zinc/48/19/84/785481984.db2.gz DAQARGNYOXYUEB-VXGBXAGGSA-N 1 1 330.392 0.576 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001072000836 785506244 /nfs/dbraw/zinc/50/62/44/785506244.db2.gz XQIXEUGMVYFPEE-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C2)cn1 ZINC001072001502 785506529 /nfs/dbraw/zinc/50/65/29/785506529.db2.gz DMXICSMNGWDGBG-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)N(C)C)C2)cn1 ZINC001072001502 785506533 /nfs/dbraw/zinc/50/65/33/785506533.db2.gz DMXICSMNGWDGBG-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@@H]1C ZINC001071701205 785554476 /nfs/dbraw/zinc/55/44/76/785554476.db2.gz FDCVVAXKGKCKRI-UONOGXRCSA-N 1 1 341.415 0.937 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C ZINC001072099880 785667891 /nfs/dbraw/zinc/66/78/91/785667891.db2.gz YTPGAFPSCWHAAR-OLZOCXBDSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cnsn4)C3)C2)C1=O ZINC001072508788 786299505 /nfs/dbraw/zinc/29/95/05/786299505.db2.gz AXDIFVDDRYOVGO-CYBMUJFWSA-N 1 1 347.444 0.473 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CCOC4)C3)C2)C1=O ZINC001072532317 786335619 /nfs/dbraw/zinc/33/56/19/786335619.db2.gz GNBFWNDZLWNFPZ-LSDHHAIUSA-N 1 1 333.432 0.344 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)C[C@H]4CCOC4)C3)C2)C1=O ZINC001072572434 786382089 /nfs/dbraw/zinc/38/20/89/786382089.db2.gz LCYKCZUKYKUDME-HZPDHXFCSA-N 1 1 347.459 0.734 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@H]21 ZINC001074279627 786576214 /nfs/dbraw/zinc/57/62/14/786576214.db2.gz OPCNPAQQUSNWSK-HZPDHXFCSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@H]21 ZINC001074279627 786576218 /nfs/dbraw/zinc/57/62/18/786576218.db2.gz OPCNPAQQUSNWSK-HZPDHXFCSA-N 1 1 346.431 0.905 20 30 ECEDMO C=CCN1CCO[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001074281961 786582278 /nfs/dbraw/zinc/58/22/78/786582278.db2.gz KPLJEXPBXJTNSM-JKSUJKDBSA-N 1 1 334.420 0.838 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 ZINC001074283454 786586985 /nfs/dbraw/zinc/58/69/85/786586985.db2.gz DQZUMJFQODMQDN-GJZGRUSLSA-N 1 1 336.436 0.280 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 ZINC001074283454 786586990 /nfs/dbraw/zinc/58/69/90/786586990.db2.gz DQZUMJFQODMQDN-GJZGRUSLSA-N 1 1 336.436 0.280 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3cocn3)C2)C1=O ZINC001073556871 786590609 /nfs/dbraw/zinc/59/06/09/786590609.db2.gz QSAWERAECVFKAN-ZFWWWQNUSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)c3cocn3)C2)C1=O ZINC001073556871 786590615 /nfs/dbraw/zinc/59/06/15/786590615.db2.gz QSAWERAECVFKAN-ZFWWWQNUSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 ZINC001074285218 786593547 /nfs/dbraw/zinc/59/35/47/786593547.db2.gz XELCSXVNTWPYML-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 ZINC001074285218 786593550 /nfs/dbraw/zinc/59/35/50/786593550.db2.gz XELCSXVNTWPYML-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@H]21 ZINC001074297812 786624906 /nfs/dbraw/zinc/62/49/06/786624906.db2.gz UXOOKNMHOXTALM-CABCVRRESA-N 1 1 342.403 0.616 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@H]21 ZINC001074297812 786624912 /nfs/dbraw/zinc/62/49/12/786624912.db2.gz UXOOKNMHOXTALM-CABCVRRESA-N 1 1 342.403 0.616 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001073578342 786666428 /nfs/dbraw/zinc/66/64/28/786666428.db2.gz JNXSURFWIUSDOA-HZPDHXFCSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 ZINC001074322333 786672209 /nfs/dbraw/zinc/67/22/09/786672209.db2.gz SVIAGROKPJVDSM-HOTGVXAUSA-N 1 1 334.420 0.677 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 ZINC001074322333 786672214 /nfs/dbraw/zinc/67/22/14/786672214.db2.gz SVIAGROKPJVDSM-HOTGVXAUSA-N 1 1 334.420 0.677 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001073581701 786679157 /nfs/dbraw/zinc/67/91/57/786679157.db2.gz NHYTXENYRGIPBK-UHFFFAOYSA-N 1 1 345.447 0.513 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074341743 786713215 /nfs/dbraw/zinc/71/32/15/786713215.db2.gz XADHWVMDXYXNBH-LSDHHAIUSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074341743 786713217 /nfs/dbraw/zinc/71/32/17/786713217.db2.gz XADHWVMDXYXNBH-LSDHHAIUSA-N 1 1 332.404 0.605 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC001073601987 786749922 /nfs/dbraw/zinc/74/99/22/786749922.db2.gz PLTVZYVGJRGYLO-WBVHZDCISA-N 1 1 348.491 0.505 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001074364369 786764508 /nfs/dbraw/zinc/76/45/08/786764508.db2.gz WOVGJEQYPAZBND-JKSUJKDBSA-N 1 1 346.431 0.755 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001074364369 786764514 /nfs/dbraw/zinc/76/45/14/786764514.db2.gz WOVGJEQYPAZBND-JKSUJKDBSA-N 1 1 346.431 0.755 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001073615018 786773606 /nfs/dbraw/zinc/77/36/06/786773606.db2.gz FDFVKMSRWLREGL-ZDUSSCGKSA-N 1 1 330.392 0.521 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001073630553 786816132 /nfs/dbraw/zinc/81/61/32/786816132.db2.gz XVVKPTCEZCKJPY-HNNXBMFYSA-N 1 1 331.416 0.931 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 ZINC001073654288 786881595 /nfs/dbraw/zinc/88/15/95/786881595.db2.gz DIYIPOLJUHPXBN-CABCVRRESA-N 1 1 348.447 0.851 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074405945 786881632 /nfs/dbraw/zinc/88/16/32/786881632.db2.gz YNSXFXXMHSJBQR-CVEARBPZSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074405945 786881641 /nfs/dbraw/zinc/88/16/41/786881641.db2.gz YNSXFXXMHSJBQR-CVEARBPZSA-N 1 1 346.431 0.995 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001073660425 786900759 /nfs/dbraw/zinc/90/07/59/786900759.db2.gz DQIOZISRWFFEKN-CQSZACIVSA-N 1 1 342.461 0.204 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC001073664579 786911804 /nfs/dbraw/zinc/91/18/04/786911804.db2.gz JLVDHPUXUWSXLC-MRXNPFEDSA-N 1 1 329.400 0.630 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]21 ZINC001074418997 786925349 /nfs/dbraw/zinc/92/53/49/786925349.db2.gz CWWAMUOKNDDCMT-CVEARBPZSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]21 ZINC001074418997 786925357 /nfs/dbraw/zinc/92/53/57/786925357.db2.gz CWWAMUOKNDDCMT-CVEARBPZSA-N 1 1 344.415 0.672 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001073677251 786947794 /nfs/dbraw/zinc/94/77/94/786947794.db2.gz BOGYHMPZFDKPRL-CYBMUJFWSA-N 1 1 342.399 0.420 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001073683979 786964139 /nfs/dbraw/zinc/96/41/39/786964139.db2.gz FKLVSENVZXPWQS-DLBZAZTESA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001073690892 786977230 /nfs/dbraw/zinc/97/72/30/786977230.db2.gz KRECALIMNCWJNA-AWEZNQCLSA-N 1 1 332.404 0.510 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C(F)F)nn2C)C1 ZINC001073694215 786984619 /nfs/dbraw/zinc/98/46/19/786984619.db2.gz XRGXIYIAISUWNT-NSHDSACASA-N 1 1 326.347 0.812 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(F)F)nn2C)C1 ZINC001073694215 786984627 /nfs/dbraw/zinc/98/46/27/786984627.db2.gz XRGXIYIAISUWNT-NSHDSACASA-N 1 1 326.347 0.812 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001073713269 787029025 /nfs/dbraw/zinc/02/90/25/787029025.db2.gz XUHWUKBPNBMKOF-LUKYLMHMSA-N 1 1 336.432 0.268 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001073722260 787056497 /nfs/dbraw/zinc/05/64/97/787056497.db2.gz IKMRZGTYUPDGJM-AWEZNQCLSA-N 1 1 330.392 0.521 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnn3cccnc23)C1 ZINC001073727687 787072031 /nfs/dbraw/zinc/07/20/31/787072031.db2.gz ZFWGFMWMWGBQLK-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn3cccnc23)C1 ZINC001073727686 787072101 /nfs/dbraw/zinc/07/21/01/787072101.db2.gz ZFWGFMWMWGBQLK-AWEZNQCLSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001073739314 787089675 /nfs/dbraw/zinc/08/96/75/787089675.db2.gz PTNDVRFBHZNODJ-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001073739314 787089683 /nfs/dbraw/zinc/08/96/83/787089683.db2.gz PTNDVRFBHZNODJ-HZPDHXFCSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001073745861 787111965 /nfs/dbraw/zinc/11/19/65/787111965.db2.gz JYGGPUZGQQLZTD-NSHDSACASA-N 1 1 331.376 0.670 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001073788350 787199524 /nfs/dbraw/zinc/19/95/24/787199524.db2.gz ICTMQJXLELEASW-CQSZACIVSA-N 1 1 349.456 0.838 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001073788350 787199530 /nfs/dbraw/zinc/19/95/30/787199530.db2.gz ICTMQJXLELEASW-CQSZACIVSA-N 1 1 349.456 0.838 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001073796256 787218172 /nfs/dbraw/zinc/21/81/72/787218172.db2.gz KZGFLHBVCGFQQP-NVXWUHKLSA-N 1 1 332.375 0.970 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001073796256 787218177 /nfs/dbraw/zinc/21/81/77/787218177.db2.gz KZGFLHBVCGFQQP-NVXWUHKLSA-N 1 1 332.375 0.970 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001073815771 787250042 /nfs/dbraw/zinc/25/00/42/787250042.db2.gz JYUHGXLXOSQYKR-BRWVUGGUSA-N 1 1 346.431 0.129 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001073815771 787250044 /nfs/dbraw/zinc/25/00/44/787250044.db2.gz JYUHGXLXOSQYKR-BRWVUGGUSA-N 1 1 346.431 0.129 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001073815469 787250443 /nfs/dbraw/zinc/25/04/43/787250443.db2.gz BKSXRUABDAXJQT-AWEZNQCLSA-N 1 1 343.387 0.279 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001073816595 787252839 /nfs/dbraw/zinc/25/28/39/787252839.db2.gz DDNLTIQPTMCSAG-HUUCEWRRSA-N 1 1 325.453 0.884 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3cncn3)n2)C1 ZINC001073837815 787318512 /nfs/dbraw/zinc/31/85/12/787318512.db2.gz VCMACAORZCAZGH-AWEZNQCLSA-N 1 1 340.387 0.116 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3cncn3)n2)C1 ZINC001073837815 787318526 /nfs/dbraw/zinc/31/85/26/787318526.db2.gz VCMACAORZCAZGH-AWEZNQCLSA-N 1 1 340.387 0.116 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074582261 787323180 /nfs/dbraw/zinc/32/31/80/787323180.db2.gz NDXRNDYSGADPKF-UHFFFAOYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001073848160 787348138 /nfs/dbraw/zinc/34/81/38/787348138.db2.gz QPTSMVUNYQMNMM-KGLIPLIRSA-N 1 1 335.408 0.246 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001073856409 787371946 /nfs/dbraw/zinc/37/19/46/787371946.db2.gz FPUXMDGPGUDLGG-ZBFHGGJFSA-N 1 1 330.432 0.745 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001073856651 787374932 /nfs/dbraw/zinc/37/49/32/787374932.db2.gz LITCWBXFARLBLQ-OAHLLOKOSA-N 1 1 344.415 0.719 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001073856651 787374943 /nfs/dbraw/zinc/37/49/43/787374943.db2.gz LITCWBXFARLBLQ-OAHLLOKOSA-N 1 1 344.415 0.719 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001073859265 787377884 /nfs/dbraw/zinc/37/78/84/787377884.db2.gz FMVLANYOEWVHLW-ZIAGYGMSSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001073859265 787377896 /nfs/dbraw/zinc/37/78/96/787377896.db2.gz FMVLANYOEWVHLW-ZIAGYGMSSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001073859265 787377904 /nfs/dbraw/zinc/37/79/04/787377904.db2.gz FMVLANYOEWVHLW-ZIAGYGMSSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001073859265 787377915 /nfs/dbraw/zinc/37/79/15/787377915.db2.gz FMVLANYOEWVHLW-ZIAGYGMSSA-N 1 1 331.420 0.140 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001073859265 787377925 /nfs/dbraw/zinc/37/79/25/787377925.db2.gz FMVLANYOEWVHLW-ZIAGYGMSSA-N 1 1 331.420 0.140 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 ZINC001073861272 787385772 /nfs/dbraw/zinc/38/57/72/787385772.db2.gz AMAOHKOYNMMCPR-AWEZNQCLSA-N 1 1 333.436 0.939 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001073861587 787387765 /nfs/dbraw/zinc/38/77/65/787387765.db2.gz FSCGCODSSOWTSM-HNNXBMFYSA-N 1 1 347.415 0.297 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001073883801 787431454 /nfs/dbraw/zinc/43/14/54/787431454.db2.gz YKNWEXBIGPKBFP-MRXNPFEDSA-N 1 1 346.431 0.862 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001073886218 787436177 /nfs/dbraw/zinc/43/61/77/787436177.db2.gz KETXWJPJUYOGBO-DOTOQJQBSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001073886218 787436179 /nfs/dbraw/zinc/43/61/79/787436179.db2.gz KETXWJPJUYOGBO-DOTOQJQBSA-N 1 1 347.459 0.618 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001073890988 787450772 /nfs/dbraw/zinc/45/07/72/787450772.db2.gz KNTYDOLCHJYLOJ-JKSUJKDBSA-N 1 1 339.436 0.017 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001073893003 787456289 /nfs/dbraw/zinc/45/62/89/787456289.db2.gz HLCIFEZMBXWZOT-MRXNPFEDSA-N 1 1 329.400 0.500 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001073893003 787456293 /nfs/dbraw/zinc/45/62/93/787456293.db2.gz HLCIFEZMBXWZOT-MRXNPFEDSA-N 1 1 329.400 0.500 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001073898817 787473146 /nfs/dbraw/zinc/47/31/46/787473146.db2.gz COALIGFHWCBANT-JKSUJKDBSA-N 1 1 347.463 0.932 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001074016770 787685827 /nfs/dbraw/zinc/68/58/27/787685827.db2.gz JKDBNJPAFREXAZ-JKSUJKDBSA-N 1 1 337.464 0.720 20 30 ECEDMO CC(C)C#CC(=O)N1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001074063183 787796038 /nfs/dbraw/zinc/79/60/38/787796038.db2.gz MTCFIYHICFMANM-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 ZINC001074159421 787963508 /nfs/dbraw/zinc/96/35/08/787963508.db2.gz FFXSPCXKNQXCGM-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 ZINC001074159421 787963511 /nfs/dbraw/zinc/96/35/11/787963511.db2.gz FFXSPCXKNQXCGM-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001074891721 788498416 /nfs/dbraw/zinc/49/84/16/788498416.db2.gz KMYBHEDAJJGTMN-DZGCQCFKSA-N 1 1 334.420 0.890 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)C4=CCOCC4)C3)C2)C1=O ZINC001072650740 788507405 /nfs/dbraw/zinc/50/74/05/788507405.db2.gz VBBDADKYHNBGAS-INIZCTEOSA-N 1 1 345.443 0.654 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C2)c1 ZINC001072706409 788624222 /nfs/dbraw/zinc/62/42/22/788624222.db2.gz MZDOCPLXJSXBOU-RHSMWYFYSA-N 1 1 342.443 0.981 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001074999472 788697872 /nfs/dbraw/zinc/69/78/72/788697872.db2.gz KRVCJYAZHGJDSN-GDBMZVCRSA-N 1 1 346.431 0.727 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@]2(C)CN(C(=O)c3ccn[nH]3)C[C@H]2C)C1=O ZINC001075165314 789008310 /nfs/dbraw/zinc/00/83/10/789008310.db2.gz WHCLKDZLAXYMMQ-HBUWYVDXSA-N 1 1 345.447 0.884 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001072924719 789124012 /nfs/dbraw/zinc/12/40/12/789124012.db2.gz SKEJGZRFYOVSFJ-UHFFFAOYSA-N 1 1 349.394 0.990 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001072924719 789124016 /nfs/dbraw/zinc/12/40/16/789124016.db2.gz SKEJGZRFYOVSFJ-UHFFFAOYSA-N 1 1 349.394 0.990 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC001073000997 789258989 /nfs/dbraw/zinc/25/89/89/789258989.db2.gz OLHPNEUARXBIKD-AWEZNQCLSA-N 1 1 328.420 0.183 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)Cc4cnc[nH]4)C3)C2)C1=O ZINC001073018633 789283109 /nfs/dbraw/zinc/28/31/09/789283109.db2.gz GRAOJYYYVUFIJL-HNNXBMFYSA-N 1 1 343.431 0.273 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001073027116 789299844 /nfs/dbraw/zinc/29/98/44/789299844.db2.gz DDGQVGAAMRFJGU-CABCVRRESA-N 1 1 335.448 0.616 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001073038640 789321863 /nfs/dbraw/zinc/32/18/63/789321863.db2.gz MSUVWXRZAZKXMX-RDTXWAMCSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CC[N@@H+]1CCC2(CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C2)C1 ZINC001073058322 789366984 /nfs/dbraw/zinc/36/69/84/789366984.db2.gz JLVHWSGHKZROMB-UHFFFAOYSA-N 1 1 327.388 0.665 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnccn4)[C@@H]3C2)C1=O ZINC001075506779 789426697 /nfs/dbraw/zinc/42/66/97/789426697.db2.gz ZXPMGSYMNMFQEP-NUEKZKHPSA-N 1 1 341.415 0.410 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC001073103724 789447006 /nfs/dbraw/zinc/44/70/06/789447006.db2.gz ITXQWZVIHIRKSG-UHFFFAOYSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC001073111295 789459476 /nfs/dbraw/zinc/45/94/76/789459476.db2.gz XRKGGDVPFVDEJS-CQSZACIVSA-N 1 1 329.404 0.411 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)O)C2 ZINC001073135669 789507420 /nfs/dbraw/zinc/50/74/20/789507420.db2.gz LEBNZWSHLNIFOA-CQSZACIVSA-N 1 1 329.400 0.622 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(=O)N(C)C)C3)nc1 ZINC001073137857 789510402 /nfs/dbraw/zinc/51/04/02/789510402.db2.gz OPSMLOKHCOYVTG-CQSZACIVSA-N 1 1 340.427 0.688 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001073229141 789635004 /nfs/dbraw/zinc/63/50/04/789635004.db2.gz QWQXYZWAZWUYJH-CQSZACIVSA-N 1 1 336.436 0.366 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)COCC)C(C)(C)C1 ZINC001073297418 789715661 /nfs/dbraw/zinc/71/56/61/789715661.db2.gz CZCQJBSRAPDMHY-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)COCC)C(C)(C)C1 ZINC001073297418 789715664 /nfs/dbraw/zinc/71/56/64/789715664.db2.gz CZCQJBSRAPDMHY-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001073347360 789749131 /nfs/dbraw/zinc/74/91/31/789749131.db2.gz ONTDIHVGBCKFOO-JKSUJKDBSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)N1CCC(CC)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001069374461 789781898 /nfs/dbraw/zinc/78/18/98/789781898.db2.gz MYXBMDIZSRNCOC-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001073392931 789784389 /nfs/dbraw/zinc/78/43/89/789784389.db2.gz AZKLBLOGWAXHPP-JKSUJKDBSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001073396422 789788458 /nfs/dbraw/zinc/78/84/58/789788458.db2.gz OJNJDNGMCMZOKG-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001073396625 789789327 /nfs/dbraw/zinc/78/93/27/789789327.db2.gz RQYOTEQATMEROD-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073438833 789841775 /nfs/dbraw/zinc/84/17/75/789841775.db2.gz CGONFUKPQXVWRR-CYBMUJFWSA-N 1 1 327.450 0.179 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001069473583 789848173 /nfs/dbraw/zinc/84/81/73/789848173.db2.gz NLUULHJPJVZJFY-KBPBESRZSA-N 1 1 339.403 0.672 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[N@H+](C[C@H]2CCOC2)C3)CC1 ZINC001073457495 789865259 /nfs/dbraw/zinc/86/52/59/789865259.db2.gz SPEIBBQAOGPTDR-QGZVFWFLSA-N 1 1 345.487 0.902 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC3(C2)CC[N@@H+](C[C@H]2CCOC2)C3)CC1 ZINC001073457495 789865264 /nfs/dbraw/zinc/86/52/64/789865264.db2.gz SPEIBBQAOGPTDR-QGZVFWFLSA-N 1 1 345.487 0.902 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069796496 790039504 /nfs/dbraw/zinc/03/95/04/790039504.db2.gz XIYZIIXREAHRLM-HSBZDZAISA-N 1 1 328.420 0.656 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)C3CN(C(C)=O)C3)c2C1 ZINC001069859343 790110462 /nfs/dbraw/zinc/11/04/62/790110462.db2.gz PTQYOAPSDOBVIG-UHFFFAOYSA-N 1 1 345.447 0.759 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)C3CN(C(C)=O)C3)c2C1 ZINC001069859343 790110466 /nfs/dbraw/zinc/11/04/66/790110466.db2.gz PTQYOAPSDOBVIG-UHFFFAOYSA-N 1 1 345.447 0.759 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)c2C1 ZINC001069861223 790113707 /nfs/dbraw/zinc/11/37/07/790113707.db2.gz DYCJYFYELCLKBE-JKSUJKDBSA-N 1 1 329.448 0.678 20 30 ECEDMO N#CCN1CCn2ncc(CNC(=O)[C@H]3CCCc4[nH+]ccn43)c2C1 ZINC001069863376 790118098 /nfs/dbraw/zinc/11/80/98/790118098.db2.gz MBVPORSOBYLMPY-CQSZACIVSA-N 1 1 339.403 0.613 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccnc(F)c2)[C@@H](n2ccnn2)C1 ZINC001069902283 790171608 /nfs/dbraw/zinc/17/16/08/790171608.db2.gz PMXPWYSTRZQIFU-KGLIPLIRSA-N 1 1 328.351 0.491 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(F)c2)[C@@H](n2ccnn2)C1 ZINC001069902283 790171613 /nfs/dbraw/zinc/17/16/13/790171613.db2.gz PMXPWYSTRZQIFU-KGLIPLIRSA-N 1 1 328.351 0.491 20 30 ECEDMO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069908902 790177791 /nfs/dbraw/zinc/17/77/91/790177791.db2.gz WKVDQIWYSUQQBH-DFBGVHRSSA-N 1 1 343.391 0.168 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccc2)[C@@H](n2ccnn2)C1 ZINC001069910442 790179247 /nfs/dbraw/zinc/17/92/47/790179247.db2.gz UWPCEWZDBLPEMZ-OAGGEKHMSA-N 1 1 326.404 0.706 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2CCC(O)CC2)[C@@H](n2ccnn2)C1 ZINC001069916250 790186082 /nfs/dbraw/zinc/18/60/82/790186082.db2.gz NBKZFLXGHGYCOQ-FJBKBRRZSA-N 1 1 333.436 0.747 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001069924919 790195825 /nfs/dbraw/zinc/19/58/25/790195825.db2.gz LQXROBVBFXIVDD-CABCVRRESA-N 1 1 329.408 0.172 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001069924919 790195831 /nfs/dbraw/zinc/19/58/31/790195831.db2.gz LQXROBVBFXIVDD-CABCVRRESA-N 1 1 329.408 0.172 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](n2ccnn2)C1 ZINC001069949376 790229217 /nfs/dbraw/zinc/22/92/17/790229217.db2.gz UWWJGHYTBYZDPV-HIFRSBDPSA-N 1 1 341.419 0.652 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H](n2ccnn2)C1 ZINC001069952685 790233618 /nfs/dbraw/zinc/23/36/18/790233618.db2.gz ZKYDHHIGUWAUCD-CABCVRRESA-N 1 1 337.387 0.947 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H](n2ccnn2)C1 ZINC001069952685 790233622 /nfs/dbraw/zinc/23/36/22/790233622.db2.gz ZKYDHHIGUWAUCD-CABCVRRESA-N 1 1 337.387 0.947 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001069953480 790234895 /nfs/dbraw/zinc/23/48/95/790234895.db2.gz HMVUMHKNELXCFB-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](n2ccnn2)C1 ZINC001069959142 790241583 /nfs/dbraw/zinc/24/15/83/790241583.db2.gz GDYLUFRGIVAWQR-SJORKVTESA-N 1 1 349.398 0.833 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](n2ccnn2)C1 ZINC001069959142 790241590 /nfs/dbraw/zinc/24/15/90/790241590.db2.gz GDYLUFRGIVAWQR-SJORKVTESA-N 1 1 349.398 0.833 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001069968421 790255905 /nfs/dbraw/zinc/25/59/05/790255905.db2.gz YOYDHLGRFVJAAV-ZBFHGGJFSA-N 1 1 343.435 0.805 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001069968421 790255909 /nfs/dbraw/zinc/25/59/09/790255909.db2.gz YOYDHLGRFVJAAV-ZBFHGGJFSA-N 1 1 343.435 0.805 20 30 ECEDMO C#CCCCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068821826 791198702 /nfs/dbraw/zinc/19/87/02/791198702.db2.gz QPPMCSBKOULGSG-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001068837761 791232642 /nfs/dbraw/zinc/23/26/42/791232642.db2.gz AVYJZKLCANISHH-OAHLLOKOSA-N 1 1 335.448 0.616 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC(C)C)CO2 ZINC001068859509 791280822 /nfs/dbraw/zinc/28/08/22/791280822.db2.gz SIEQQCCTKPQEJJ-OAHLLOKOSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1C)CO2 ZINC001068873851 791319762 /nfs/dbraw/zinc/31/97/62/791319762.db2.gz GHLZAPQKPJHSIB-AWEZNQCLSA-N 1 1 332.404 0.644 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068935127 791454386 /nfs/dbraw/zinc/45/43/86/791454386.db2.gz MEMPIMJHHWFKHX-JKSUJKDBSA-N 1 1 347.459 0.618 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001069036315 791629940 /nfs/dbraw/zinc/62/99/40/791629940.db2.gz ZVPRXFGXDGVQEO-HNNXBMFYSA-N 1 1 335.448 0.474 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)CO2 ZINC001069040097 791635834 /nfs/dbraw/zinc/63/58/34/791635834.db2.gz LEOSVESHGQNNOY-CVEARBPZSA-N 1 1 347.459 0.474 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)CO2 ZINC001069040100 791636577 /nfs/dbraw/zinc/63/65/77/791636577.db2.gz LEOSVESHGQNNOY-JKSUJKDBSA-N 1 1 347.459 0.474 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](CNc2ccncc2C#N)C1 ZINC001066675455 791968065 /nfs/dbraw/zinc/96/80/65/791968065.db2.gz KDIUBEZBBFFVNQ-ZBFHGGJFSA-N 1 1 343.431 0.499 20 30 ECEDMO C[N@@H+](CC(=O)N1CCO[C@H](CNc2cncc(C#N)n2)C1)C1CCC1 ZINC001066687500 791991185 /nfs/dbraw/zinc/99/11/85/791991185.db2.gz MBJLMDXBIQVKIC-OAHLLOKOSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)CC1 ZINC001066728834 792053857 /nfs/dbraw/zinc/05/38/57/792053857.db2.gz GYXADWRJDWGIKT-UKRRQHHQSA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2nccnc2C#N)CC1 ZINC001066728780 792054024 /nfs/dbraw/zinc/05/40/24/792054024.db2.gz GDHLFXMBHZMIIS-DZGCQCFKSA-N 1 1 328.420 0.918 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1nccnc1C#N ZINC001067742971 792213279 /nfs/dbraw/zinc/21/32/79/792213279.db2.gz SFIQYKFQJCKOMW-HIFRSBDPSA-N 1 1 328.420 0.870 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2nccnc2C#N)CC[C@H]1C ZINC001067961082 792508117 /nfs/dbraw/zinc/50/81/17/792508117.db2.gz MVFCJSSTEYORMD-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1C ZINC001067979799 792537803 /nfs/dbraw/zinc/53/78/03/792537803.db2.gz IJLNJJHYKNCWRN-SWLSCSKDSA-N 1 1 339.403 0.884 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1C ZINC001067979798 792537914 /nfs/dbraw/zinc/53/79/14/792537914.db2.gz IJLNJJHYKNCWRN-IUODEOHRSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001066999195 792540419 /nfs/dbraw/zinc/54/04/19/792540419.db2.gz RDLAUCDYAPYPPV-SFHVURJKSA-N 1 1 337.464 0.982 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001067008855 792563198 /nfs/dbraw/zinc/56/31/98/792563198.db2.gz AZWLAZFLFHBWND-IRXDYDNUSA-N 1 1 348.491 0.485 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)CC2(C)C)C1 ZINC001068113701 792694606 /nfs/dbraw/zinc/69/46/06/792694606.db2.gz POLWZHIWUVQZPT-TZMCWYRMSA-N 1 1 328.420 0.631 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001068174813 792786125 /nfs/dbraw/zinc/78/61/25/792786125.db2.gz GYRZXMLVXAFFRF-MIGQKNRLSA-N 1 1 340.431 0.407 20 30 ECEDMO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC001067239482 792868170 /nfs/dbraw/zinc/86/81/70/792868170.db2.gz ZGKJSVIMNZDCBE-ZDUSSCGKSA-N 1 1 331.420 0.759 20 30 ECEDMO C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001067288106 792940676 /nfs/dbraw/zinc/94/06/76/792940676.db2.gz JYLLKENGGPTFDO-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001067288106 792940684 /nfs/dbraw/zinc/94/06/84/792940684.db2.gz JYLLKENGGPTFDO-INIZCTEOSA-N 1 1 337.464 0.818 20 30 ECEDMO C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001067289246 792941277 /nfs/dbraw/zinc/94/12/77/792941277.db2.gz NJNQGVFUQYOAGJ-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)CC[N@H+](C)CC ZINC001067425589 793137776 /nfs/dbraw/zinc/13/77/76/793137776.db2.gz XOEWQEZOTOCAKV-UHFFFAOYSA-N 1 1 325.453 0.675 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001068389888 793185368 /nfs/dbraw/zinc/18/53/68/793185368.db2.gz SDCMNAWYWZICOK-UHFFFAOYSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCCCC(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068390054 793186653 /nfs/dbraw/zinc/18/66/53/793186653.db2.gz WUWGIQSWKHRNDF-HNNXBMFYSA-N 1 1 333.432 0.181 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001068399058 793216571 /nfs/dbraw/zinc/21/65/71/793216571.db2.gz OSKKOKBSNNDVCC-HOTGVXAUSA-N 1 1 349.475 0.980 20 30 ECEDMO CCCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267454222 837437527 /nfs/dbraw/zinc/43/75/27/837437527.db2.gz LSLXGZGJCANVDO-ZIAGYGMSSA-N 1 1 334.420 0.608 20 30 ECEDMO Cc1cc(C(=O)N2CCC([C@H](C)[NH2+]CC(=O)NCC#N)CC2)n[nH]1 ZINC001267483368 837539972 /nfs/dbraw/zinc/53/99/72/837539972.db2.gz VWTQDYFYMRFWHH-LBPRGKRZSA-N 1 1 332.408 0.188 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2nnc(C)o2)C1 ZINC001267524683 837686816 /nfs/dbraw/zinc/68/68/16/837686816.db2.gz VOASIEYAIPQJMW-GXTWGEPZSA-N 1 1 349.435 0.439 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccsn2)C1 ZINC001267536237 837716243 /nfs/dbraw/zinc/71/62/43/837716243.db2.gz PCPXAVQLCJNWIE-STQMWFEESA-N 1 1 334.445 0.723 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001267536659 837717401 /nfs/dbraw/zinc/71/74/01/837717401.db2.gz XQLHUVXUGUEIBH-CQSZACIVSA-N 1 1 345.447 0.092 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCOC2)C1 ZINC001267540556 837724620 /nfs/dbraw/zinc/72/46/20/837724620.db2.gz OVIYCYBMKLFAIZ-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCOC2)C1 ZINC001267540556 837724623 /nfs/dbraw/zinc/72/46/23/837724623.db2.gz OVIYCYBMKLFAIZ-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCOC2)C1 ZINC001267540558 837725032 /nfs/dbraw/zinc/72/50/32/837725032.db2.gz OVIYCYBMKLFAIZ-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCOC2)C1 ZINC001267540558 837725042 /nfs/dbraw/zinc/72/50/42/837725042.db2.gz OVIYCYBMKLFAIZ-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001267541842 837728851 /nfs/dbraw/zinc/72/88/51/837728851.db2.gz JLCHRULVCGBZGZ-KBPBESRZSA-N 1 1 329.466 0.260 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001267541842 837728857 /nfs/dbraw/zinc/72/88/57/837728857.db2.gz JLCHRULVCGBZGZ-KBPBESRZSA-N 1 1 329.466 0.260 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001267543503 837731095 /nfs/dbraw/zinc/73/10/95/837731095.db2.gz DIPGLQQFXQFUGY-QAPCUYQASA-N 1 1 337.464 0.934 20 30 ECEDMO CCCN(C(=O)[C@@H]1CCCC(=O)N1C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267549016 837749825 /nfs/dbraw/zinc/74/98/25/837749825.db2.gz QSUHZMCOPWQXMK-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO CCCN(C(=O)[C@@H]1CCCC(=O)N1C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267549016 837749834 /nfs/dbraw/zinc/74/98/34/837749834.db2.gz QSUHZMCOPWQXMK-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)c2[nH]cnc2C)C1 ZINC001267549745 837751081 /nfs/dbraw/zinc/75/10/81/837751081.db2.gz IDXSSZFABQWXCV-GJZGRUSLSA-N 1 1 345.447 0.783 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)c2[nH]cnc2C)C1 ZINC001267549745 837751094 /nfs/dbraw/zinc/75/10/94/837751094.db2.gz IDXSSZFABQWXCV-GJZGRUSLSA-N 1 1 345.447 0.783 20 30 ECEDMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](CCNC(=O)C#CC3CC3)C2)CCO1 ZINC001267555326 837760500 /nfs/dbraw/zinc/76/05/00/837760500.db2.gz FKKKLKHQLBDJPA-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001267557118 837764585 /nfs/dbraw/zinc/76/45/85/837764585.db2.gz YYDWBBADYSWZAT-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CCNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001267564460 837779659 /nfs/dbraw/zinc/77/96/59/837779659.db2.gz BHADUIHPHNZMJO-AWEZNQCLSA-N 1 1 330.432 0.816 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001267562451 837776382 /nfs/dbraw/zinc/77/63/82/837776382.db2.gz VRWYBJJXYYBZDZ-JKSUJKDBSA-N 1 1 337.464 0.934 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267571815 837805833 /nfs/dbraw/zinc/80/58/33/837805833.db2.gz UAZICKVKAAXVAC-NWDGAFQWSA-N 1 1 327.812 0.620 20 30 ECEDMO CCO[C@@H]1C[C@@H]1C(=O)N(C)CC[NH+]1CCN(CC#CCOC)CC1 ZINC001267574253 837821337 /nfs/dbraw/zinc/82/13/37/837821337.db2.gz ZWCJTAIXCWUWBA-DLBZAZTESA-N 1 1 337.464 0.137 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cnn3ccc(C)nc23)CC1 ZINC001267575556 837827917 /nfs/dbraw/zinc/82/79/17/837827917.db2.gz GATSULDSFHESPG-UHFFFAOYSA-N 1 1 340.431 0.361 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)COc2ccccc2F)CC1 ZINC001267575732 837829634 /nfs/dbraw/zinc/82/96/34/837829634.db2.gz JEXNLMRADVCARL-UHFFFAOYSA-N 1 1 333.407 0.914 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)COc2ccccc2F)CC1 ZINC001267575732 837829643 /nfs/dbraw/zinc/82/96/43/837829643.db2.gz JEXNLMRADVCARL-UHFFFAOYSA-N 1 1 333.407 0.914 20 30 ECEDMO C#CCCCCC(=O)NCCC[NH+]1CCN([C@H]2CCNC2=O)CC1 ZINC001266262101 835572566 /nfs/dbraw/zinc/57/25/66/835572566.db2.gz CHJMJDDEPUHGRV-INIZCTEOSA-N 1 1 334.464 0.192 20 30 ECEDMO CO[C@@H]1COCC[C@@H]1CC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001266265148 835578838 /nfs/dbraw/zinc/57/88/38/835578838.db2.gz XEYSCVWJPKEVHK-HZPDHXFCSA-N 1 1 338.452 0.075 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCC[C@H]1C ZINC001266276859 835601689 /nfs/dbraw/zinc/60/16/89/835601689.db2.gz DMMPIWOVCCYYBI-ZIAGYGMSSA-N 1 1 338.452 0.873 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCC[C@H]1C ZINC001266276859 835601692 /nfs/dbraw/zinc/60/16/92/835601692.db2.gz DMMPIWOVCCYYBI-ZIAGYGMSSA-N 1 1 338.452 0.873 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC001266277944 835604517 /nfs/dbraw/zinc/60/45/17/835604517.db2.gz YFZVOGONFUJKMZ-UHFFFAOYSA-N 1 1 343.387 0.794 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)[C@]2(C3CCCC3)CCNC2=O)CC1 ZINC001266285857 835621995 /nfs/dbraw/zinc/62/19/95/835621995.db2.gz PUKYWDDRKJFXNU-IBGZPJMESA-N 1 1 346.475 0.050 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)COCc1nnc(C)s1 ZINC001266292986 835638008 /nfs/dbraw/zinc/63/80/08/835638008.db2.gz CSABARLWZAZWIW-UHFFFAOYSA-N 1 1 326.422 0.061 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)c2cccc3[nH]c(=O)oc32)CC1 ZINC001266299539 835656406 /nfs/dbraw/zinc/65/64/06/835656406.db2.gz SOALRSHUBGSSSG-UHFFFAOYSA-N 1 1 342.399 0.904 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC001266307588 835671677 /nfs/dbraw/zinc/67/16/77/835671677.db2.gz GWZHCPSDMSNVTC-CQSZACIVSA-N 1 1 345.403 0.968 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC001266307588 835671683 /nfs/dbraw/zinc/67/16/83/835671683.db2.gz GWZHCPSDMSNVTC-CQSZACIVSA-N 1 1 345.403 0.968 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001266317116 835685812 /nfs/dbraw/zinc/68/58/12/835685812.db2.gz MCTXYPXSZOKXMO-KGLIPLIRSA-N 1 1 348.451 0.432 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001266317116 835685814 /nfs/dbraw/zinc/68/58/14/835685814.db2.gz MCTXYPXSZOKXMO-KGLIPLIRSA-N 1 1 348.451 0.432 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(COC)CCCCC2)C1 ZINC001266322948 835698076 /nfs/dbraw/zinc/69/80/76/835698076.db2.gz QPKHIUYYTJMMBB-HZPDHXFCSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(COC)CCCCC2)C1 ZINC001266322948 835698082 /nfs/dbraw/zinc/69/80/82/835698082.db2.gz QPKHIUYYTJMMBB-HZPDHXFCSA-N 1 1 349.475 0.912 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)C(N)=O)C2)cc1C#N ZINC001266325764 835703572 /nfs/dbraw/zinc/70/35/72/835703572.db2.gz RNBFUNQONFSLNR-CQSZACIVSA-N 1 1 344.415 0.769 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(C)(C)C(N)=O)C2)cc1C#N ZINC001266325764 835703577 /nfs/dbraw/zinc/70/35/77/835703577.db2.gz RNBFUNQONFSLNR-CQSZACIVSA-N 1 1 344.415 0.769 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)NCC(C)C)C1 ZINC001266325885 835704297 /nfs/dbraw/zinc/70/42/97/835704297.db2.gz UHYBVRBKOWJOTJ-CVEARBPZSA-N 1 1 334.464 0.047 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)NCC(C)C)C1 ZINC001266325885 835704301 /nfs/dbraw/zinc/70/43/01/835704301.db2.gz UHYBVRBKOWJOTJ-CVEARBPZSA-N 1 1 334.464 0.047 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001266337859 835722135 /nfs/dbraw/zinc/72/21/35/835722135.db2.gz RSPBXWPVBMDAFB-KKUMJFAQSA-N 1 1 346.493 0.696 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001266337859 835722143 /nfs/dbraw/zinc/72/21/43/835722143.db2.gz RSPBXWPVBMDAFB-KKUMJFAQSA-N 1 1 346.493 0.696 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)CCc2cnccn2)C1=O ZINC001266344953 835734932 /nfs/dbraw/zinc/73/49/32/835734932.db2.gz RCYYVUWNOGQDIN-OAHLLOKOSA-N 1 1 331.420 0.244 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CCc2cnccn2)C1=O ZINC001266344953 835734944 /nfs/dbraw/zinc/73/49/44/835734944.db2.gz RCYYVUWNOGQDIN-OAHLLOKOSA-N 1 1 331.420 0.244 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345752 835737161 /nfs/dbraw/zinc/73/71/61/835737161.db2.gz XXWHQCNFVXQUPW-ZFWWWQNUSA-N 1 1 343.431 0.090 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345752 835737167 /nfs/dbraw/zinc/73/71/67/835737167.db2.gz XXWHQCNFVXQUPW-ZFWWWQNUSA-N 1 1 343.431 0.090 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO[C@@H]3CCOC3)C2)nn1 ZINC001266347703 835740208 /nfs/dbraw/zinc/74/02/08/835740208.db2.gz RPTBQPXAJREEED-HUUCEWRRSA-N 1 1 349.435 0.464 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1nccn2cc(C)nc12 ZINC001266348152 835741331 /nfs/dbraw/zinc/74/13/31/835741331.db2.gz XLIHZFCUBUDIEO-CYBMUJFWSA-N 1 1 344.419 0.390 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1nccn2cc(C)nc12 ZINC001266348152 835741337 /nfs/dbraw/zinc/74/13/37/835741337.db2.gz XLIHZFCUBUDIEO-CYBMUJFWSA-N 1 1 344.419 0.390 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CCc1ccccc1F ZINC001266358682 835765951 /nfs/dbraw/zinc/76/59/51/835765951.db2.gz XNRWMNPBIQAAFQ-AWEZNQCLSA-N 1 1 333.407 0.944 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CCc1ccccc1F ZINC001266358682 835765958 /nfs/dbraw/zinc/76/59/58/835765958.db2.gz XNRWMNPBIQAAFQ-AWEZNQCLSA-N 1 1 333.407 0.944 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001266359328 835767530 /nfs/dbraw/zinc/76/75/30/835767530.db2.gz SSWSWXWLYZBUNI-JKSUJKDBSA-N 1 1 347.463 0.944 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2nc(C)cc2C)C1 ZINC001266359328 835767538 /nfs/dbraw/zinc/76/75/38/835767538.db2.gz SSWSWXWLYZBUNI-JKSUJKDBSA-N 1 1 347.463 0.944 20 30 ECEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266359519 835768361 /nfs/dbraw/zinc/76/83/61/835768361.db2.gz XVTQMQQPJOIOMB-AWEZNQCLSA-N 1 1 336.436 0.817 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCNC(=O)c1nonc1C ZINC001266367730 835779976 /nfs/dbraw/zinc/77/99/76/835779976.db2.gz JDUWTAFSISNMMB-ZDUSSCGKSA-N 1 1 337.424 0.853 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1nonc1C ZINC001266367730 835779986 /nfs/dbraw/zinc/77/99/86/835779986.db2.gz JDUWTAFSISNMMB-ZDUSSCGKSA-N 1 1 337.424 0.853 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)CC2CCOCC2)CC1 ZINC001266369298 835782631 /nfs/dbraw/zinc/78/26/31/835782631.db2.gz VLCSPHZQPOMIEE-HNNXBMFYSA-N 1 1 348.447 0.414 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NCC ZINC001266450390 835853120 /nfs/dbraw/zinc/85/31/20/835853120.db2.gz NAHKABGHXVAECX-STQMWFEESA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NCC ZINC001266450390 835853129 /nfs/dbraw/zinc/85/31/29/835853129.db2.gz NAHKABGHXVAECX-STQMWFEESA-N 1 1 340.424 0.004 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@H](C[N@@H+](C)CC(=O)NC2CC2)C1 ZINC001266456437 835859188 /nfs/dbraw/zinc/85/91/88/835859188.db2.gz WEZKCHMIRAKSKX-LSDHHAIUSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001266461012 835863826 /nfs/dbraw/zinc/86/38/26/835863826.db2.gz HREWVFOEVXJSCQ-GDBMZVCRSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001266461012 835863829 /nfs/dbraw/zinc/86/38/29/835863829.db2.gz HREWVFOEVXJSCQ-GDBMZVCRSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001266472663 835876078 /nfs/dbraw/zinc/87/60/78/835876078.db2.gz ONSMQUXSCHJOJF-ZDUSSCGKSA-N 1 1 329.404 0.383 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C1(n2cnnn2)CCCCC1 ZINC001266474837 835877112 /nfs/dbraw/zinc/87/71/12/835877112.db2.gz XGIXQRNHOAEZEJ-OAHLLOKOSA-N 1 1 330.436 0.936 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001266482586 835882693 /nfs/dbraw/zinc/88/26/93/835882693.db2.gz DRUCZVUKLCUWGA-LSDHHAIUSA-N 1 1 344.459 0.920 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001266482586 835882695 /nfs/dbraw/zinc/88/26/95/835882695.db2.gz DRUCZVUKLCUWGA-LSDHHAIUSA-N 1 1 344.459 0.920 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cn(CCC)nn1 ZINC001266487092 835887627 /nfs/dbraw/zinc/88/76/27/835887627.db2.gz TWCJBLJUYNJSLL-KGLIPLIRSA-N 1 1 346.435 0.020 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CCC)nn1 ZINC001266487092 835887635 /nfs/dbraw/zinc/88/76/35/835887635.db2.gz TWCJBLJUYNJSLL-KGLIPLIRSA-N 1 1 346.435 0.020 20 30 ECEDMO C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)o1 ZINC001266489551 835888935 /nfs/dbraw/zinc/88/89/35/835888935.db2.gz IZVNDMLJKVKCTB-BETUJISGSA-N 1 1 333.388 0.870 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)o1 ZINC001266489551 835888945 /nfs/dbraw/zinc/88/89/45/835888945.db2.gz IZVNDMLJKVKCTB-BETUJISGSA-N 1 1 333.388 0.870 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001266492130 835891930 /nfs/dbraw/zinc/89/19/30/835891930.db2.gz IWGBPENADVKOQO-CVEARBPZSA-N 1 1 342.443 0.679 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001266492130 835891937 /nfs/dbraw/zinc/89/19/37/835891937.db2.gz IWGBPENADVKOQO-CVEARBPZSA-N 1 1 342.443 0.679 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCCn1cccc1 ZINC001266495185 835894425 /nfs/dbraw/zinc/89/44/25/835894425.db2.gz IMADRKZDCJVFNC-MRXNPFEDSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1cccc1 ZINC001266495185 835894434 /nfs/dbraw/zinc/89/44/34/835894434.db2.gz IMADRKZDCJVFNC-MRXNPFEDSA-N 1 1 330.432 0.598 20 30 ECEDMO C=CCCOCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC(=O)NC ZINC001266497200 835897675 /nfs/dbraw/zinc/89/76/75/835897675.db2.gz BYOXJKLLEOROEW-CHWSQXEVSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCCOCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(=O)NC ZINC001266497200 835897677 /nfs/dbraw/zinc/89/76/77/835897677.db2.gz BYOXJKLLEOROEW-CHWSQXEVSA-N 1 1 340.424 0.004 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001266505863 835906518 /nfs/dbraw/zinc/90/65/18/835906518.db2.gz QTDLUECOULHDHW-QWHCGFSZSA-N 1 1 332.379 0.410 20 30 ECEDMO C=CCCC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC001266504956 835907044 /nfs/dbraw/zinc/90/70/44/835907044.db2.gz ZMTQCPLSQJMADI-MRXNPFEDSA-N 1 1 337.464 0.718 20 30 ECEDMO Cc1cnccc1CC(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266514065 835924039 /nfs/dbraw/zinc/92/40/39/835924039.db2.gz LDIFHSKSISJTBT-AWEZNQCLSA-N 1 1 329.404 0.010 20 30 ECEDMO Cc1cnccc1CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266514065 835924049 /nfs/dbraw/zinc/92/40/49/835924049.db2.gz LDIFHSKSISJTBT-AWEZNQCLSA-N 1 1 329.404 0.010 20 30 ECEDMO CC(C)c1cccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001266520459 835933516 /nfs/dbraw/zinc/93/35/16/835933516.db2.gz NPAKNAQSXANVPP-CQSZACIVSA-N 1 1 343.431 0.896 20 30 ECEDMO CC(C)c1cccc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001266520459 835933523 /nfs/dbraw/zinc/93/35/23/835933523.db2.gz NPAKNAQSXANVPP-CQSZACIVSA-N 1 1 343.431 0.896 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccnnc2C)C1 ZINC001266520697 835934408 /nfs/dbraw/zinc/93/44/08/835934408.db2.gz RGETWTVAXFSBLX-UONOGXRCSA-N 1 1 331.420 0.527 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cncc3[nH]ccc32)C1 ZINC001266520877 835934468 /nfs/dbraw/zinc/93/44/68/835934468.db2.gz VHCXHZKQTNHYAU-CYBMUJFWSA-N 1 1 341.415 0.917 20 30 ECEDMO Cc1nc(CCC(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)cs1 ZINC001266537837 835957549 /nfs/dbraw/zinc/95/75/49/835957549.db2.gz SXNCKTMELVENOZ-CYBMUJFWSA-N 1 1 349.460 0.462 20 30 ECEDMO Cc1nc(CCC(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cs1 ZINC001266537837 835957552 /nfs/dbraw/zinc/95/75/52/835957552.db2.gz SXNCKTMELVENOZ-CYBMUJFWSA-N 1 1 349.460 0.462 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2csc(Cl)n2)C1 ZINC001266540372 835961744 /nfs/dbraw/zinc/96/17/44/835961744.db2.gz VJAPGNNVVISPFC-SNVBAGLBSA-N 1 1 340.836 0.598 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2conc2COC)C1 ZINC001266546796 835968688 /nfs/dbraw/zinc/96/86/88/835968688.db2.gz XJHXCCJNLXJQBL-CHWSQXEVSA-N 1 1 348.403 0.011 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@@H+](CC(=O)NC(C)(C)C)C1CC1 ZINC001266590832 836019968 /nfs/dbraw/zinc/01/99/68/836019968.db2.gz QYWRLDRFDOYETQ-KRWDZBQOSA-N 1 1 325.453 0.809 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[N@H+](CC(=O)NC(C)(C)C)C1CC1 ZINC001266590832 836019980 /nfs/dbraw/zinc/01/99/80/836019980.db2.gz QYWRLDRFDOYETQ-KRWDZBQOSA-N 1 1 325.453 0.809 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1cn(C)nc1CC)C1CC1 ZINC001266597010 836029427 /nfs/dbraw/zinc/02/94/27/836029427.db2.gz RSOWOCYPNCFFCC-CYBMUJFWSA-N 1 1 345.447 0.315 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1cn(C)nc1CC)C1CC1 ZINC001266597010 836029435 /nfs/dbraw/zinc/02/94/35/836029435.db2.gz RSOWOCYPNCFFCC-CYBMUJFWSA-N 1 1 345.447 0.315 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCNC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001266600368 836033162 /nfs/dbraw/zinc/03/31/62/836033162.db2.gz ROLSUKGEWKCIBD-UHFFFAOYSA-N 1 1 327.375 0.752 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCNC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001266600368 836033175 /nfs/dbraw/zinc/03/31/75/836033175.db2.gz ROLSUKGEWKCIBD-UHFFFAOYSA-N 1 1 327.375 0.752 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1ccc(C)[nH]c1=O)C1CC1 ZINC001266611774 836045538 /nfs/dbraw/zinc/04/55/38/836045538.db2.gz XIVXKQFGOZDUEM-CYBMUJFWSA-N 1 1 346.431 0.981 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1ccc(C)[nH]c1=O)C1CC1 ZINC001266611774 836045551 /nfs/dbraw/zinc/04/55/51/836045551.db2.gz XIVXKQFGOZDUEM-CYBMUJFWSA-N 1 1 346.431 0.981 20 30 ECEDMO CC(F)(F)CC(=O)N1CCC[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266658239 836093174 /nfs/dbraw/zinc/09/31/74/836093174.db2.gz ASHCWOVRGVEBDG-CHWSQXEVSA-N 1 1 342.390 0.984 20 30 ECEDMO CC(F)(F)CC(=O)N1CCC[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266658239 836093181 /nfs/dbraw/zinc/09/31/81/836093181.db2.gz ASHCWOVRGVEBDG-CHWSQXEVSA-N 1 1 342.390 0.984 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccnn2C)C1 ZINC001266658751 836094205 /nfs/dbraw/zinc/09/42/05/836094205.db2.gz IFFMKZJBGHHUNM-CVEARBPZSA-N 1 1 330.432 0.996 20 30 ECEDMO C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001266662991 836099750 /nfs/dbraw/zinc/09/97/50/836099750.db2.gz KRQSJXIELNXSBT-HUUCEWRRSA-N 1 1 348.447 0.817 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csnn2)C1 ZINC001266716583 836191177 /nfs/dbraw/zinc/19/11/77/836191177.db2.gz MQCDZJXZNNBXNG-SCRDCRAPSA-N 1 1 337.449 0.746 20 30 ECEDMO CN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001266716666 836191559 /nfs/dbraw/zinc/19/15/59/836191559.db2.gz VXRBYQIWUXGLLY-AWEZNQCLSA-N 1 1 332.379 0.724 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3cnc(C#N)cn3)CCO2)C1 ZINC001104349948 836191688 /nfs/dbraw/zinc/19/16/88/836191688.db2.gz NHZDKVLIMCKCLB-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001266746603 836232460 /nfs/dbraw/zinc/23/24/60/836232460.db2.gz HJDORQDAWVGWPO-KGLIPLIRSA-N 1 1 348.451 0.256 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001266746603 836232469 /nfs/dbraw/zinc/23/24/69/836232469.db2.gz HJDORQDAWVGWPO-KGLIPLIRSA-N 1 1 348.451 0.256 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001266746603 836232477 /nfs/dbraw/zinc/23/24/77/836232477.db2.gz HJDORQDAWVGWPO-KGLIPLIRSA-N 1 1 348.451 0.256 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CCC[N@H+]([C@H]2CCN(CC=C)C2=O)C1 ZINC001266749260 836237614 /nfs/dbraw/zinc/23/76/14/836237614.db2.gz GHNPUVJXRPDHGW-IRXDYDNUSA-N 1 1 347.459 0.641 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266751033 836242336 /nfs/dbraw/zinc/24/23/36/836242336.db2.gz ASLIIEBXAUWNML-JKSUJKDBSA-N 1 1 348.491 0.437 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266751033 836242344 /nfs/dbraw/zinc/24/23/44/836242344.db2.gz ASLIIEBXAUWNML-JKSUJKDBSA-N 1 1 348.491 0.437 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cnc3nccn3c2)C1 ZINC001266754670 836250296 /nfs/dbraw/zinc/25/02/96/836250296.db2.gz GCYSPJWJWOPWMR-HNNXBMFYSA-N 1 1 341.415 0.821 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)cc1 ZINC001266758640 836254443 /nfs/dbraw/zinc/25/44/43/836254443.db2.gz XCOTWDPQJPQXPO-MRXNPFEDSA-N 1 1 338.411 0.749 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)cc1 ZINC001266758640 836254453 /nfs/dbraw/zinc/25/44/53/836254453.db2.gz XCOTWDPQJPQXPO-MRXNPFEDSA-N 1 1 338.411 0.749 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001266761177 836263203 /nfs/dbraw/zinc/26/32/03/836263203.db2.gz VWDPIIYCBPISHD-NFOMZHRRSA-N 1 1 338.427 0.983 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001266761177 836263216 /nfs/dbraw/zinc/26/32/16/836263216.db2.gz VWDPIIYCBPISHD-NFOMZHRRSA-N 1 1 338.427 0.983 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 ZINC001266766222 836271988 /nfs/dbraw/zinc/27/19/88/836271988.db2.gz FFLRHUIVVURJSK-INIZCTEOSA-N 1 1 348.447 0.621 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2cnn(CC)c2)C1 ZINC001266768117 836276996 /nfs/dbraw/zinc/27/69/96/836276996.db2.gz YQHMXLPARGDWDJ-OAHLLOKOSA-N 1 1 347.463 0.576 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001266790848 836308616 /nfs/dbraw/zinc/30/86/16/836308616.db2.gz PKVPGABKESHVQZ-AWEZNQCLSA-N 1 1 333.436 0.473 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+]CCN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001266826923 836352641 /nfs/dbraw/zinc/35/26/41/836352641.db2.gz BQFYIUJEYBACMQ-UHFFFAOYSA-N 1 1 343.387 0.868 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001266853071 836386350 /nfs/dbraw/zinc/38/63/50/836386350.db2.gz DXFINHHOXJOIGF-LLVKDONJSA-N 1 1 338.433 0.735 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001266853071 836386360 /nfs/dbraw/zinc/38/63/60/836386360.db2.gz DXFINHHOXJOIGF-LLVKDONJSA-N 1 1 338.433 0.735 20 30 ECEDMO C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001266886844 836435407 /nfs/dbraw/zinc/43/54/07/836435407.db2.gz QAMLLQZJQBGWAG-KBPBESRZSA-N 1 1 336.436 0.993 20 30 ECEDMO C[C@@H](NC(=O)CCC(F)F)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266890073 836439065 /nfs/dbraw/zinc/43/90/65/836439065.db2.gz ILOAVFJFXJOXSP-NEPJUHHUSA-N 1 1 330.379 0.888 20 30 ECEDMO C[C@@H](NC(=O)CCC(F)F)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266890073 836439069 /nfs/dbraw/zinc/43/90/69/836439069.db2.gz ILOAVFJFXJOXSP-NEPJUHHUSA-N 1 1 330.379 0.888 20 30 ECEDMO Cc1[nH]ccc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266893391 836442766 /nfs/dbraw/zinc/44/27/66/836442766.db2.gz QLAZQMLRUAIBDA-OCCSQVGLSA-N 1 1 331.420 0.793 20 30 ECEDMO Cc1[nH]ccc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266893391 836442770 /nfs/dbraw/zinc/44/27/70/836442770.db2.gz QLAZQMLRUAIBDA-OCCSQVGLSA-N 1 1 331.420 0.793 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N[C@H]3CCCC[C@H]3C)C[C@H]21 ZINC001266899265 836452545 /nfs/dbraw/zinc/45/25/45/836452545.db2.gz QUTYZNYIUYTMNT-CLLBMXBRSA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N[C@H]3CCCC[C@H]3C)C[C@H]21 ZINC001266899265 836452550 /nfs/dbraw/zinc/45/25/50/836452550.db2.gz QUTYZNYIUYTMNT-CLLBMXBRSA-N 1 1 349.475 0.930 20 30 ECEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001266899365 836452591 /nfs/dbraw/zinc/45/25/91/836452591.db2.gz ZFDXDANZSOURLN-NBFUAULTSA-N 1 1 335.448 0.683 20 30 ECEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001266899365 836452596 /nfs/dbraw/zinc/45/25/96/836452596.db2.gz ZFDXDANZSOURLN-NBFUAULTSA-N 1 1 335.448 0.683 20 30 ECEDMO CC(C)(C)C1CC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001266906023 836463992 /nfs/dbraw/zinc/46/39/92/836463992.db2.gz CMDCOZZZCKEACA-RVZSJEDASA-N 1 1 332.448 0.745 20 30 ECEDMO CC(C)(C)C1CC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001266906023 836463998 /nfs/dbraw/zinc/46/39/98/836463998.db2.gz CMDCOZZZCKEACA-RVZSJEDASA-N 1 1 332.448 0.745 20 30 ECEDMO C[C@@H](CNC(=O)C#CC1CC1)[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC001266937819 836496286 /nfs/dbraw/zinc/49/62/86/836496286.db2.gz OUDBHHHNZYLFHT-ZDUSSCGKSA-N 1 1 338.411 0.941 20 30 ECEDMO C#CCCCCC(=O)N1CCC([N@@H+](C)CCNS(C)(=O)=O)CC1 ZINC001283302348 836519877 /nfs/dbraw/zinc/51/98/77/836519877.db2.gz URLZYQIMAKORPN-UHFFFAOYSA-N 1 1 343.493 0.652 20 30 ECEDMO C=CCOc1cccnc1C(=O)N(C)CC[NH2+]Cc1nncn1C ZINC001266965722 836535351 /nfs/dbraw/zinc/53/53/51/836535351.db2.gz BFMKGGYIGDVGHC-UHFFFAOYSA-N 1 1 330.392 0.637 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1noc2c1COCC2 ZINC001266975344 836545647 /nfs/dbraw/zinc/54/56/47/836545647.db2.gz YOQSPZXDXHZUDM-JMSVASOKSA-N 1 1 335.404 0.933 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001267002100 836595820 /nfs/dbraw/zinc/59/58/20/836595820.db2.gz YYCRDVZLAVZNIF-UONOGXRCSA-N 1 1 346.435 0.024 20 30 ECEDMO C#Cc1ccccc1CC(=O)N(C)CC[NH2+]Cc1nnnn1C1CC1 ZINC001267018047 836632416 /nfs/dbraw/zinc/63/24/16/836632416.db2.gz VZEPKVSHIMOSON-UHFFFAOYSA-N 1 1 338.415 0.780 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001267041015 836666047 /nfs/dbraw/zinc/66/60/47/836666047.db2.gz JXRQCTCDJPNSJR-KBPBESRZSA-N 1 1 343.431 0.017 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)COC(C)(C)C)C1 ZINC001267102351 836775253 /nfs/dbraw/zinc/77/52/53/836775253.db2.gz DWMWOWZTPLCRIT-LSDHHAIUSA-N 1 1 337.464 0.862 20 30 ECEDMO Cc1cncc(CC(=O)N2CCC[C@H]([N@H+](C)CC(=O)NCC#N)C2)c1 ZINC001267107023 836788622 /nfs/dbraw/zinc/78/86/22/836788622.db2.gz ABVKTAGXQVIKEX-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO Cc1cncc(CC(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)c1 ZINC001267107023 836788628 /nfs/dbraw/zinc/78/86/28/836788628.db2.gz ABVKTAGXQVIKEX-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001267108400 836791169 /nfs/dbraw/zinc/79/11/69/836791169.db2.gz OPQUMCYCHMZHOR-CABCVRRESA-N 1 1 335.452 0.859 20 30 ECEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001267108403 836791637 /nfs/dbraw/zinc/79/16/37/836791637.db2.gz OPQUMCYCHMZHOR-LSDHHAIUSA-N 1 1 335.452 0.859 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2snnc2CC)C1 ZINC001267108719 836792317 /nfs/dbraw/zinc/79/23/17/836792317.db2.gz SCCUZWBHKLJEES-LBPRGKRZSA-N 1 1 349.460 0.386 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2snnc2CC)C1 ZINC001267108719 836792322 /nfs/dbraw/zinc/79/23/22/836792322.db2.gz SCCUZWBHKLJEES-LBPRGKRZSA-N 1 1 349.460 0.386 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NCC=C)C2)nc1 ZINC001267113067 836800909 /nfs/dbraw/zinc/80/09/09/836800909.db2.gz CSQJNRQQJADHKZ-MRXNPFEDSA-N 1 1 340.427 0.902 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NCC=C)C2)nc1 ZINC001267113067 836800913 /nfs/dbraw/zinc/80/09/13/836800913.db2.gz CSQJNRQQJADHKZ-MRXNPFEDSA-N 1 1 340.427 0.902 20 30 ECEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC001267112667 836802148 /nfs/dbraw/zinc/80/21/48/836802148.db2.gz VDKIZVGZTMPRKZ-GOEBONIOSA-N 1 1 326.462 0.900 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)c2coc(C3CC3)n2)C1 ZINC001267112707 836802684 /nfs/dbraw/zinc/80/26/84/836802684.db2.gz VWTDISQWVPHWPR-ZDUSSCGKSA-N 1 1 345.403 0.728 20 30 ECEDMO C[N@@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)c2coc(C3CC3)n2)C1 ZINC001267112707 836802695 /nfs/dbraw/zinc/80/26/95/836802695.db2.gz VWTDISQWVPHWPR-ZDUSSCGKSA-N 1 1 345.403 0.728 20 30 ECEDMO CC(C)c1oncc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267113533 836803501 /nfs/dbraw/zinc/80/35/01/836803501.db2.gz NHGORBPEYLLYCF-ZDUSSCGKSA-N 1 1 347.419 0.974 20 30 ECEDMO CC(C)c1oncc1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267113533 836803506 /nfs/dbraw/zinc/80/35/06/836803506.db2.gz NHGORBPEYLLYCF-ZDUSSCGKSA-N 1 1 347.419 0.974 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CCOC1 ZINC001267162381 836879829 /nfs/dbraw/zinc/87/98/29/836879829.db2.gz DRUMSMLDXOUNRL-LSDHHAIUSA-N 1 1 336.436 0.414 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1nncn1C ZINC001267163807 836883804 /nfs/dbraw/zinc/88/38/04/836883804.db2.gz AANYSTJMSSIREV-CABCVRRESA-N 1 1 333.436 0.714 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCCC[C@H]1CCC[N@H+]1Cc1nncn1C ZINC001267163807 836883826 /nfs/dbraw/zinc/88/38/26/836883826.db2.gz AANYSTJMSSIREV-CABCVRRESA-N 1 1 333.436 0.714 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C(=O)NCC(F)F ZINC001267170780 836904614 /nfs/dbraw/zinc/90/46/14/836904614.db2.gz UELAMTRXSCFNSP-CYBMUJFWSA-N 1 1 345.390 0.378 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001267171527 836905537 /nfs/dbraw/zinc/90/55/37/836905537.db2.gz JEQAHEYQJXZTHA-GJZGRUSLSA-N 1 1 326.462 0.948 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001267199617 836971240 /nfs/dbraw/zinc/97/12/40/836971240.db2.gz RDKJCMIZPQPKMR-UHFFFAOYSA-N 1 1 331.372 0.329 20 30 ECEDMO CCC(CC)N1C[C@@H](C(=O)NCC[N@@H+](C)CC#CCOC)CC1=O ZINC001267199967 836973717 /nfs/dbraw/zinc/97/37/17/836973717.db2.gz ZSTLUCKGMSLIRO-HNNXBMFYSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)CCc2ccncc2)C1=O ZINC001267204761 836983310 /nfs/dbraw/zinc/98/33/10/836983310.db2.gz LAPQRAYUDSQBKV-INIZCTEOSA-N 1 1 330.432 0.849 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)CCc2ccncc2)C1=O ZINC001267204761 836983320 /nfs/dbraw/zinc/98/33/20/836983320.db2.gz LAPQRAYUDSQBKV-INIZCTEOSA-N 1 1 330.432 0.849 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1nc(Cl)sc1C ZINC001267206627 836988046 /nfs/dbraw/zinc/98/80/46/836988046.db2.gz IXJHHVFEJZZMNT-VIFPVBQESA-N 1 1 342.852 0.904 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1nc(Cl)sc1C ZINC001267206627 836988056 /nfs/dbraw/zinc/98/80/56/836988056.db2.gz IXJHHVFEJZZMNT-VIFPVBQESA-N 1 1 342.852 0.904 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1sc(C)nc1C ZINC001267208159 836992686 /nfs/dbraw/zinc/99/26/86/836992686.db2.gz XTJIOEGHOKNRCJ-GFCCVEGCSA-N 1 1 336.461 0.488 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1sc(C)nc1C ZINC001267208159 836992692 /nfs/dbraw/zinc/99/26/92/836992692.db2.gz XTJIOEGHOKNRCJ-GFCCVEGCSA-N 1 1 336.461 0.488 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001267233382 837040030 /nfs/dbraw/zinc/04/00/30/837040030.db2.gz SQCUJVQTGWRCQK-NSHDSACASA-N 1 1 346.387 0.886 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001267233382 837040036 /nfs/dbraw/zinc/04/00/36/837040036.db2.gz SQCUJVQTGWRCQK-NSHDSACASA-N 1 1 346.387 0.886 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC12CCOCC2 ZINC001267259973 837088190 /nfs/dbraw/zinc/08/81/90/837088190.db2.gz UNTARWBHOJMPMD-GJZGRUSLSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC12CCOCC2 ZINC001267259973 837088196 /nfs/dbraw/zinc/08/81/96/837088196.db2.gz UNTARWBHOJMPMD-GJZGRUSLSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CC12CCOCC2 ZINC001267259975 837088352 /nfs/dbraw/zinc/08/83/52/837088352.db2.gz UNTARWBHOJMPMD-LSDHHAIUSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC12CCOCC2 ZINC001267259975 837088357 /nfs/dbraw/zinc/08/83/57/837088357.db2.gz UNTARWBHOJMPMD-LSDHHAIUSA-N 1 1 337.464 0.932 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)CCc2c[nH]cn2)C1=O ZINC001267269538 837109263 /nfs/dbraw/zinc/10/92/63/837109263.db2.gz OMORYFZIPGEMAL-JKSUJKDBSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001267275161 837117900 /nfs/dbraw/zinc/11/79/00/837117900.db2.gz DHRNYDQOSQMESX-JTQLQIEISA-N 1 1 341.362 0.844 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001267275161 837117904 /nfs/dbraw/zinc/11/79/04/837117904.db2.gz DHRNYDQOSQMESX-JTQLQIEISA-N 1 1 341.362 0.844 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001267277275 837121168 /nfs/dbraw/zinc/12/11/68/837121168.db2.gz VKGKHXZTWFPUCF-LSDHHAIUSA-N 1 1 345.447 0.796 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001267277275 837121172 /nfs/dbraw/zinc/12/11/72/837121172.db2.gz VKGKHXZTWFPUCF-LSDHHAIUSA-N 1 1 345.447 0.796 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccnc1N(C)C ZINC001267282721 837131940 /nfs/dbraw/zinc/13/19/40/837131940.db2.gz SKVLEFYNGNKAJP-OAHLLOKOSA-N 1 1 330.432 0.992 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccnc1N(C)C ZINC001267282721 837131945 /nfs/dbraw/zinc/13/19/45/837131945.db2.gz SKVLEFYNGNKAJP-OAHLLOKOSA-N 1 1 330.432 0.992 20 30 ECEDMO CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C#CC2CC2)C1 ZINC001267292329 837143568 /nfs/dbraw/zinc/14/35/68/837143568.db2.gz AAPYSVBHUOWMLV-DOTOQJQBSA-N 1 1 349.475 0.769 20 30 ECEDMO C#CCCCC(=O)NC[C@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C1 ZINC001267292002 837144470 /nfs/dbraw/zinc/14/44/70/837144470.db2.gz PXJFIZSRWZTDEX-CQSZACIVSA-N 1 1 329.466 0.119 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001267298495 837158283 /nfs/dbraw/zinc/15/82/83/837158283.db2.gz OFNBZJOZHUPOPQ-CRAIPNDOSA-N 1 1 349.475 0.769 20 30 ECEDMO Cc1cnc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cc1C ZINC001267297362 837158321 /nfs/dbraw/zinc/15/83/21/837158321.db2.gz ACLBKMNAGJBDGG-AWEZNQCLSA-N 1 1 329.404 0.390 20 30 ECEDMO Cc1cnc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cc1C ZINC001267297362 837158323 /nfs/dbraw/zinc/15/83/23/837158323.db2.gz ACLBKMNAGJBDGG-AWEZNQCLSA-N 1 1 329.404 0.390 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2cncc(C)c2)C1 ZINC001267298946 837161244 /nfs/dbraw/zinc/16/12/44/837161244.db2.gz UCJUYSMEFCDYLF-HZPDHXFCSA-N 1 1 342.443 0.509 20 30 ECEDMO CC(C)c1[nH]ccc1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267299195 837164229 /nfs/dbraw/zinc/16/42/29/837164229.db2.gz ARDLWEFNMXFVJW-ZDUSSCGKSA-N 1 1 331.420 0.830 20 30 ECEDMO CC(C)c1[nH]ccc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267299195 837164232 /nfs/dbraw/zinc/16/42/32/837164232.db2.gz ARDLWEFNMXFVJW-ZDUSSCGKSA-N 1 1 331.420 0.830 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCC)C1 ZINC001267304884 837174756 /nfs/dbraw/zinc/17/47/56/837174756.db2.gz FGIGKUKXEYHMSQ-HNNXBMFYSA-N 1 1 343.427 0.886 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)COc2ccccc2)C1 ZINC001267307222 837179247 /nfs/dbraw/zinc/17/92/47/837179247.db2.gz OGZRSCGMVJBXPV-HNNXBMFYSA-N 1 1 331.416 0.806 20 30 ECEDMO CC(C)Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267307165 837179516 /nfs/dbraw/zinc/17/95/16/837179516.db2.gz MXPZVOVQPMTJDT-CQSZACIVSA-N 1 1 345.447 0.905 20 30 ECEDMO CC(C)Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267307165 837179522 /nfs/dbraw/zinc/17/95/22/837179522.db2.gz MXPZVOVQPMTJDT-CQSZACIVSA-N 1 1 345.447 0.905 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2oc(CC)nc2C)C1 ZINC001267306993 837181751 /nfs/dbraw/zinc/18/17/51/837181751.db2.gz KPYDCBKNOKGAGK-KGLIPLIRSA-N 1 1 346.431 0.735 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CCc2nccs2)C1 ZINC001267309809 837185031 /nfs/dbraw/zinc/18/50/31/837185031.db2.gz OJHYYEDUGWOXEI-UONOGXRCSA-N 1 1 348.472 0.652 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001267310601 837186179 /nfs/dbraw/zinc/18/61/79/837186179.db2.gz YXCQBCMZWQIDGG-KBPBESRZSA-N 1 1 340.468 0.723 20 30 ECEDMO Cc1noc(C(C)C)c1C(=O)NCC[N@H+](CC(=O)NCC#N)C1CC1 ZINC001267327697 837207522 /nfs/dbraw/zinc/20/75/22/837207522.db2.gz XAPVQTLBHJZLIC-UHFFFAOYSA-N 1 1 347.419 0.940 20 30 ECEDMO Cc1noc(C(C)C)c1C(=O)NCC[N@@H+](CC(=O)NCC#N)C1CC1 ZINC001267327697 837207531 /nfs/dbraw/zinc/20/75/31/837207531.db2.gz XAPVQTLBHJZLIC-UHFFFAOYSA-N 1 1 347.419 0.940 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@@H]1CCCN1C(=O)C1CC1)C1CC1 ZINC001267333990 837216416 /nfs/dbraw/zinc/21/64/16/837216416.db2.gz UCMXGOAAKVLICM-KRWDZBQOSA-N 1 1 347.459 0.618 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)Cn1c(C)cc(C)nc1=O)C1CC1 ZINC001267334568 837216580 /nfs/dbraw/zinc/21/65/80/837216580.db2.gz BBYKBFTYPKVDGP-UHFFFAOYSA-N 1 1 346.431 0.091 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023648529 837265850 /nfs/dbraw/zinc/26/58/50/837265850.db2.gz XKMIYXMOUBDMIQ-NSHDSACASA-N 1 1 327.812 0.620 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023648529 837265859 /nfs/dbraw/zinc/26/58/59/837265859.db2.gz XKMIYXMOUBDMIQ-NSHDSACASA-N 1 1 327.812 0.620 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@H](CNC(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001267369462 837269534 /nfs/dbraw/zinc/26/95/34/837269534.db2.gz BWCDZCKRZAQCMK-MRXNPFEDSA-N 1 1 339.399 0.149 20 30 ECEDMO C[C@H](CN(C)C(=O)CSCC#N)[NH2+]Cc1nnc2n1CCOC2 ZINC001283573637 837301469 /nfs/dbraw/zinc/30/14/69/837301469.db2.gz WRBAGDOTKWKGIK-LLVKDONJSA-N 1 1 338.437 0.002 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](O)COC)cc1 ZINC001267417927 837383084 /nfs/dbraw/zinc/38/30/84/837383084.db2.gz SBHOEOOLHSZRED-FGTMMUONSA-N 1 1 328.412 0.964 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001267584758 837858565 /nfs/dbraw/zinc/85/85/65/837858565.db2.gz HXGYQRBXCVEKKC-SJORKVTESA-N 1 1 344.459 0.876 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCC(F)F)C1 ZINC001267586782 837865983 /nfs/dbraw/zinc/86/59/83/837865983.db2.gz ZLQUNTQWVADJDQ-OLZOCXBDSA-N 1 1 329.391 0.950 20 30 ECEDMO C[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1)C(C)(F)F ZINC001267589724 837875700 /nfs/dbraw/zinc/87/57/00/837875700.db2.gz LTVVSOPROOLGOD-RYUDHWBXSA-N 1 1 330.379 0.698 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)C2=CCOCC2)CC1 ZINC001267598681 837907862 /nfs/dbraw/zinc/90/78/62/837907862.db2.gz MONJCGDYONVMES-UHFFFAOYSA-N 1 1 335.448 0.806 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001267601825 837922759 /nfs/dbraw/zinc/92/27/59/837922759.db2.gz QXPGDEKCCZCJOP-AWEZNQCLSA-N 1 1 336.436 0.675 20 30 ECEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001267602862 837927917 /nfs/dbraw/zinc/92/79/17/837927917.db2.gz ICGWJQPPDAWDDO-OAHLLOKOSA-N 1 1 332.452 0.982 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001267604951 837938437 /nfs/dbraw/zinc/93/84/37/837938437.db2.gz ISCNJMCPAFRPPI-HUUCEWRRSA-N 1 1 348.447 0.271 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001267612693 837982155 /nfs/dbraw/zinc/98/21/55/837982155.db2.gz UVXXCJWYOMFUPC-UHFFFAOYSA-N 1 1 341.415 0.591 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001267616429 838019293 /nfs/dbraw/zinc/01/92/93/838019293.db2.gz LSRCVTPLTCPPIP-CYBMUJFWSA-N 1 1 336.436 0.721 20 30 ECEDMO C=CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267629000 838083458 /nfs/dbraw/zinc/08/34/58/838083458.db2.gz IFFAXHFAZDYTMM-PMPSAXMXSA-N 1 1 336.480 0.742 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001267633036 838097217 /nfs/dbraw/zinc/09/72/17/838097217.db2.gz SOLHGDCAILDPEP-UONOGXRCSA-N 1 1 333.436 0.803 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001267633036 838097235 /nfs/dbraw/zinc/09/72/35/838097235.db2.gz SOLHGDCAILDPEP-UONOGXRCSA-N 1 1 333.436 0.803 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001267633036 838097240 /nfs/dbraw/zinc/09/72/40/838097240.db2.gz SOLHGDCAILDPEP-UONOGXRCSA-N 1 1 333.436 0.803 20 30 ECEDMO C#CCOCCC(=O)NC1C[NH+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC001267644771 838128372 /nfs/dbraw/zinc/12/83/72/838128372.db2.gz DVIGXNNZLDRZNL-MAUKXSAKSA-N 1 1 330.428 0.991 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CCn2nc(C)nc2C)C1 ZINC001267647640 838137319 /nfs/dbraw/zinc/13/73/19/838137319.db2.gz YCKMCIYONACNAM-PBHICJAKSA-N 1 1 347.463 0.714 20 30 ECEDMO CCN(CCNC(=O)c1ccc(C#N)[nH]1)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001408733046 838167413 /nfs/dbraw/zinc/16/74/13/838167413.db2.gz WRKARZWMSLXGSJ-HNNXBMFYSA-N 1 1 347.419 0.185 20 30 ECEDMO CCN(CCNC(=O)c1ccc(C#N)[nH]1)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001408733046 838167420 /nfs/dbraw/zinc/16/74/20/838167420.db2.gz WRKARZWMSLXGSJ-HNNXBMFYSA-N 1 1 347.419 0.185 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001267680360 838238111 /nfs/dbraw/zinc/23/81/11/838238111.db2.gz KJPDRETUAKLTEO-ZDUSSCGKSA-N 1 1 348.451 0.290 20 30 ECEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001267682566 838242981 /nfs/dbraw/zinc/24/29/81/838242981.db2.gz GILYKTVVJCUBLU-NSHDSACASA-N 1 1 341.437 0.027 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC001267689269 838258999 /nfs/dbraw/zinc/25/89/99/838258999.db2.gz CUVPIUKRMYOENL-CYBMUJFWSA-N 1 1 348.834 0.878 20 30 ECEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001267690330 838259037 /nfs/dbraw/zinc/25/90/37/838259037.db2.gz MIYCTGFGRMSNND-CQSZACIVSA-N 1 1 346.497 0.129 20 30 ECEDMO C=CCC1(C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)CCOCC1 ZINC001267696914 838289277 /nfs/dbraw/zinc/28/92/77/838289277.db2.gz BDZNYUGWFRPLCX-HNNXBMFYSA-N 1 1 335.448 0.686 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCn2cncn2)C1 ZINC001267696902 838289345 /nfs/dbraw/zinc/28/93/45/838289345.db2.gz LSJPOCISBCHPLL-MRXNPFEDSA-N 1 1 333.436 0.488 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001267697106 838289969 /nfs/dbraw/zinc/28/99/69/838289969.db2.gz OSVCHGQSBDTKHF-UONOGXRCSA-N 1 1 329.404 0.008 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)c2cn(CC)cn2)C1 ZINC001267702401 838299744 /nfs/dbraw/zinc/29/97/44/838299744.db2.gz GKLTXVNPRKKRGJ-LSDHHAIUSA-N 1 1 347.463 0.988 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)COCC(F)(F)F ZINC001267707099 838314068 /nfs/dbraw/zinc/31/40/68/838314068.db2.gz ZWFADPGXAFXEDZ-IHRRRGAJSA-N 1 1 346.349 0.625 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)COCC(F)(F)F ZINC001267707099 838314073 /nfs/dbraw/zinc/31/40/73/838314073.db2.gz ZWFADPGXAFXEDZ-IHRRRGAJSA-N 1 1 346.349 0.625 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(COCC)CC2)C1=O ZINC001267708770 838318253 /nfs/dbraw/zinc/31/82/53/838318253.db2.gz LTRGIBVBKDJOGH-HRCADAONSA-N 1 1 347.459 0.875 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(COCC)CC2)C1=O ZINC001267708770 838318257 /nfs/dbraw/zinc/31/82/57/838318257.db2.gz LTRGIBVBKDJOGH-HRCADAONSA-N 1 1 347.459 0.875 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001267719177 838368913 /nfs/dbraw/zinc/36/89/13/838368913.db2.gz YURWSGBYNNEHMM-CYBMUJFWSA-N 1 1 331.420 0.332 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001267719825 838373305 /nfs/dbraw/zinc/37/33/05/838373305.db2.gz PRIIDXGNBRDPGX-MKWMNFFCSA-N 1 1 348.447 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001267719825 838373313 /nfs/dbraw/zinc/37/33/13/838373313.db2.gz PRIIDXGNBRDPGX-MKWMNFFCSA-N 1 1 348.447 0.934 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(=O)NC)cc2)C1 ZINC001267724282 838385474 /nfs/dbraw/zinc/38/54/74/838385474.db2.gz SDRNFYKGGQDUPU-PBHICJAKSA-N 1 1 343.427 0.775 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001267727477 838408304 /nfs/dbraw/zinc/40/83/04/838408304.db2.gz PHCGXENJMHZPRS-HNNXBMFYSA-N 1 1 340.387 0.116 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001267727477 838408309 /nfs/dbraw/zinc/40/83/09/838408309.db2.gz PHCGXENJMHZPRS-HNNXBMFYSA-N 1 1 340.387 0.116 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001267728404 838410901 /nfs/dbraw/zinc/41/09/01/838410901.db2.gz BOTSERCTGQDIDC-HZMVEIRTSA-N 1 1 347.459 0.945 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001267728404 838410904 /nfs/dbraw/zinc/41/09/04/838410904.db2.gz BOTSERCTGQDIDC-HZMVEIRTSA-N 1 1 347.459 0.945 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)CCc2nc(C(C)C)no2)C1 ZINC001267728237 838411494 /nfs/dbraw/zinc/41/14/94/838411494.db2.gz YNOLKDYYHSTILU-AWEZNQCLSA-N 1 1 334.420 0.966 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)CCc2nc(C(C)C)no2)C1 ZINC001267728237 838411498 /nfs/dbraw/zinc/41/14/98/838411498.db2.gz YNOLKDYYHSTILU-AWEZNQCLSA-N 1 1 334.420 0.966 20 30 ECEDMO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC001267731837 838422611 /nfs/dbraw/zinc/42/26/11/838422611.db2.gz VIBAMGNBYXPQAN-HNNXBMFYSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO[C@@H]3CCOC3)C2)c[nH]1 ZINC001267740386 838440021 /nfs/dbraw/zinc/44/00/21/838440021.db2.gz DJEPFSPVNUESMC-GDBMZVCRSA-N 1 1 332.404 0.886 20 30 ECEDMO C[C@H](CC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)NC(N)=O ZINC001267741703 838442746 /nfs/dbraw/zinc/44/27/46/838442746.db2.gz JGPGJYUDDXDWOE-CZUORRHYSA-N 1 1 346.406 0.815 20 30 ECEDMO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)NC(N)=O ZINC001267741703 838442750 /nfs/dbraw/zinc/44/27/50/838442750.db2.gz JGPGJYUDDXDWOE-CZUORRHYSA-N 1 1 346.406 0.815 20 30 ECEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001267741614 838442961 /nfs/dbraw/zinc/44/29/61/838442961.db2.gz GGAKQQVMVVRLQY-UONOGXRCSA-N 1 1 331.420 0.919 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001267751921 838473309 /nfs/dbraw/zinc/47/33/09/838473309.db2.gz OTSUVBSFVXUDPI-WDEREUQCSA-N 1 1 333.354 0.903 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001267751921 838473310 /nfs/dbraw/zinc/47/33/10/838473310.db2.gz OTSUVBSFVXUDPI-WDEREUQCSA-N 1 1 333.354 0.903 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1 ZINC001267754731 838477697 /nfs/dbraw/zinc/47/76/97/838477697.db2.gz UHNIZCRJWPZXLK-UONOGXRCSA-N 1 1 335.404 0.791 20 30 ECEDMO COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267761089 838488746 /nfs/dbraw/zinc/48/87/46/838488746.db2.gz AVYHKZFBTDEVAT-CVEARBPZSA-N 1 1 337.464 0.720 20 30 ECEDMO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267761089 838488752 /nfs/dbraw/zinc/48/87/52/838488752.db2.gz AVYHKZFBTDEVAT-CVEARBPZSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001267767003 838501494 /nfs/dbraw/zinc/50/14/94/838501494.db2.gz MVTKZYOIHJDZNH-RYUDHWBXSA-N 1 1 333.392 0.019 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001267767003 838501501 /nfs/dbraw/zinc/50/15/01/838501501.db2.gz MVTKZYOIHJDZNH-RYUDHWBXSA-N 1 1 333.392 0.019 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001267767004 838502112 /nfs/dbraw/zinc/50/21/12/838502112.db2.gz MVTKZYOIHJDZNH-VXGBXAGGSA-N 1 1 333.392 0.019 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001267767004 838502117 /nfs/dbraw/zinc/50/21/17/838502117.db2.gz MVTKZYOIHJDZNH-VXGBXAGGSA-N 1 1 333.392 0.019 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001267767880 838505697 /nfs/dbraw/zinc/50/56/97/838505697.db2.gz LRPLQFYOHQDDQA-OAHLLOKOSA-N 1 1 346.431 0.798 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001267767880 838505700 /nfs/dbraw/zinc/50/57/00/838505700.db2.gz LRPLQFYOHQDDQA-OAHLLOKOSA-N 1 1 346.431 0.798 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3ccncc23)C1 ZINC001267768769 838508554 /nfs/dbraw/zinc/50/85/54/838508554.db2.gz WKPPJTMERCMDEX-AWEZNQCLSA-N 1 1 327.388 0.525 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn3ccncc23)C1 ZINC001267768769 838508561 /nfs/dbraw/zinc/50/85/61/838508561.db2.gz WKPPJTMERCMDEX-AWEZNQCLSA-N 1 1 327.388 0.525 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CCF)c2)C1 ZINC001267768824 838508901 /nfs/dbraw/zinc/50/89/01/838508901.db2.gz QISOJBSMYDXGCU-HIFRSBDPSA-N 1 1 349.410 0.137 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CCF)c2)C1 ZINC001267768824 838508907 /nfs/dbraw/zinc/50/89/07/838508907.db2.gz QISOJBSMYDXGCU-HIFRSBDPSA-N 1 1 349.410 0.137 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001267786879 838566649 /nfs/dbraw/zinc/56/66/49/838566649.db2.gz RAXMDFVUIISLAK-NVXWUHKLSA-N 1 1 345.443 0.846 20 30 ECEDMO C#CCOCCC(=O)N(CC)[C@H]1CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001267786700 838566833 /nfs/dbraw/zinc/56/68/33/838566833.db2.gz OQQBWTVCANIADN-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO COCC#CC[NH+]1CCC(CCNC(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC001267944516 838832684 /nfs/dbraw/zinc/83/26/84/838832684.db2.gz AXHJRLVDNZFDSS-CQSZACIVSA-N 1 1 344.477 0.288 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001267966298 838883106 /nfs/dbraw/zinc/88/31/06/838883106.db2.gz JGIVWYIYGXVDIE-VXGBXAGGSA-N 1 1 335.408 0.011 20 30 ECEDMO C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2 ZINC001267974961 838913415 /nfs/dbraw/zinc/91/34/15/838913415.db2.gz LHBJQPSTXUEEOS-AWEZNQCLSA-N 1 1 326.462 0.615 20 30 ECEDMO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2 ZINC001267974961 838913420 /nfs/dbraw/zinc/91/34/20/838913420.db2.gz LHBJQPSTXUEEOS-AWEZNQCLSA-N 1 1 326.462 0.615 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H](C)C[NH2+][C@@H](C)c2noc(C)n2)nn1 ZINC001268004870 838960210 /nfs/dbraw/zinc/96/02/10/838960210.db2.gz IHQOVBPTECHRLS-QWRGUYRKSA-N 1 1 333.396 0.872 20 30 ECEDMO COCC#CCN1CCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001268027097 839034205 /nfs/dbraw/zinc/03/42/05/839034205.db2.gz YRWCIXIQRHGCFU-IRXDYDNUSA-N 1 1 337.464 0.328 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCCO1)CC2 ZINC001268042873 839189951 /nfs/dbraw/zinc/18/99/51/839189951.db2.gz XRDSWGXNYVQFHL-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCCC(=O)N1CCC2(C[NH+]([C@@H](C)C(=O)NC(=O)NC)C2)CC1 ZINC001268043584 839194405 /nfs/dbraw/zinc/19/44/05/839194405.db2.gz KOCLKTYQLKPIJB-ZDUSSCGKSA-N 1 1 336.436 0.721 20 30 ECEDMO Cn1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)cc1=O ZINC000981001505 839307575 /nfs/dbraw/zinc/30/75/75/839307575.db2.gz MRGOSMMPEMSEJI-UHFFFAOYSA-N 1 1 339.399 0.933 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001077911230 781927284 /nfs/dbraw/zinc/92/72/84/781927284.db2.gz FJBOIVFDDYNMEF-SQWLQELKSA-N 1 1 349.435 0.056 20 30 ECEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267635736 251211883 /nfs/dbraw/zinc/21/18/83/251211883.db2.gz UFDHRIFGNRVWTR-WMLDXEAASA-N 1 1 346.431 0.510 20 30 ECEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267635736 251211888 /nfs/dbraw/zinc/21/18/88/251211888.db2.gz UFDHRIFGNRVWTR-WMLDXEAASA-N 1 1 346.431 0.510 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)C#Cc2ccc3c(c2)OCO3)n1C ZINC000268606956 252062011 /nfs/dbraw/zinc/06/20/11/252062011.db2.gz YMOYFSUTDPCRAM-UHFFFAOYSA-N 1 1 326.356 0.883 20 30 ECEDMO COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000411903499 208160137 /nfs/dbraw/zinc/16/01/37/208160137.db2.gz KEYMNGISVLQXIQ-UKRRQHHQSA-N 1 1 344.415 0.922 20 30 ECEDMO COC(=O)[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000411905389 208161356 /nfs/dbraw/zinc/16/13/56/208161356.db2.gz BIZGCICJMMSFNZ-CQSZACIVSA-N 1 1 330.388 0.533 20 30 ECEDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000411925752 208170833 /nfs/dbraw/zinc/17/08/33/208170833.db2.gz ZPZDGZOKYBOHMO-OAHLLOKOSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+](C)C1 ZINC000411925752 208170839 /nfs/dbraw/zinc/17/08/39/208170839.db2.gz ZPZDGZOKYBOHMO-OAHLLOKOSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000411925752 208170845 /nfs/dbraw/zinc/17/08/45/208170845.db2.gz ZPZDGZOKYBOHMO-OAHLLOKOSA-N 1 1 344.415 0.923 20 30 ECEDMO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000411925725 208171607 /nfs/dbraw/zinc/17/16/07/208171607.db2.gz ZOVNFKBGSDSPIH-HIFRSBDPSA-N 1 1 344.415 0.922 20 30 ECEDMO C#CCCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000265039482 533057748 /nfs/dbraw/zinc/05/77/48/533057748.db2.gz QNDCJOUPOCLZEZ-UHFFFAOYSA-N 1 1 342.399 0.152 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@H](O)C2)CC1 ZINC000331014873 254647131 /nfs/dbraw/zinc/64/71/31/254647131.db2.gz LBTFXBIJUWCHRL-OCCSQVGLSA-N 1 1 326.441 0.204 20 30 ECEDMO Cc1ccc(CNC(=O)N2CCC([N@@H+](C)CCO)CC2)c(=O)n1C ZINC000331121701 254648872 /nfs/dbraw/zinc/64/88/72/254648872.db2.gz BIIUVAOPYIFBEL-UHFFFAOYSA-N 1 1 336.436 0.496 20 30 ECEDMO C=CCCO[C@H](C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000457981158 254810626 /nfs/dbraw/zinc/81/06/26/254810626.db2.gz ODILPZQSDLRIDD-OAHLLOKOSA-N 1 1 326.437 0.965 20 30 ECEDMO C=CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)nn1 ZINC000496224339 255082377 /nfs/dbraw/zinc/08/23/77/255082377.db2.gz HFVXVQUHMXXVAQ-ZDUSSCGKSA-N 1 1 325.413 0.782 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000118124225 221125113 /nfs/dbraw/zinc/12/51/13/221125113.db2.gz CJBOXKDMRLJOJJ-HNNXBMFYSA-N 1 1 330.388 0.724 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[N@@H+](C)C1 ZINC000329210014 286090457 /nfs/dbraw/zinc/09/04/57/286090457.db2.gz YRRNZXFRLVKMFO-WBTNSWJXSA-N 1 1 341.452 0.889 20 30 ECEDMO Cn1cc(N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)cn1 ZINC000173962591 164864499 /nfs/dbraw/zinc/86/44/99/164864499.db2.gz FHKIXHREJKEVHK-KRWDZBQOSA-N 1 1 341.415 0.854 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001077961388 782019590 /nfs/dbraw/zinc/01/95/90/782019590.db2.gz KSBRRWGBVPDNOC-GDBMZVCRSA-N 1 1 349.435 0.371 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC001041703212 782020994 /nfs/dbraw/zinc/02/09/94/782020994.db2.gz DLEWTELDPSQYHH-QAPCUYQASA-N 1 1 342.447 0.573 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2nn(C)cc2C#N)CC1 ZINC000610561876 421255268 /nfs/dbraw/zinc/25/52/68/421255268.db2.gz FEEDLOWFRFBLMY-UHFFFAOYSA-N 1 1 347.423 0.404 20 30 ECEDMO C[C@@H](CNC(=O)Cn1cnc(C#N)n1)[N@@H+]1CCc2sccc2C1 ZINC000178398442 263154930 /nfs/dbraw/zinc/15/49/30/263154930.db2.gz INMFOBPBIDGMRK-NSHDSACASA-N 1 1 330.417 0.774 20 30 ECEDMO C[C@@H](CNC(=O)Cn1cnc(C#N)n1)[N@H+]1CCc2sccc2C1 ZINC000178398442 263154931 /nfs/dbraw/zinc/15/49/31/263154931.db2.gz INMFOBPBIDGMRK-NSHDSACASA-N 1 1 330.417 0.774 20 30 ECEDMO CCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000282615969 264053774 /nfs/dbraw/zinc/05/37/74/264053774.db2.gz ZJFXNGVFVXVLFI-GDBMZVCRSA-N 1 1 345.399 0.767 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000358965038 270006957 /nfs/dbraw/zinc/00/69/57/270006957.db2.gz JXDRCDURLJXGRQ-OAHLLOKOSA-N 1 1 327.388 0.332 20 30 ECEDMO N#Cc1ccc(C(=O)NCCCCN2CC[NH+](CCO)CC2)nc1 ZINC000532891504 270008160 /nfs/dbraw/zinc/00/81/60/270008160.db2.gz MLZJVFXWOIKBGR-UHFFFAOYSA-N 1 1 331.420 0.073 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286139440 266127395 /nfs/dbraw/zinc/12/73/95/266127395.db2.gz HSVIRBVCFBZZOW-OAHLLOKOSA-N 1 1 348.422 0.954 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 ZINC000337050647 266151003 /nfs/dbraw/zinc/15/10/03/266151003.db2.gz NFNOMTBOMLSFGK-UONOGXRCSA-N 1 1 333.440 0.101 20 30 ECEDMO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cncc(C#N)c3)[C@H]2C1 ZINC000292902450 266157073 /nfs/dbraw/zinc/15/70/73/266157073.db2.gz WCUOESZBTPVYGP-LSDHHAIUSA-N 1 1 336.417 0.437 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cncc(C#N)c3)[C@H]2C1 ZINC000292902450 266157078 /nfs/dbraw/zinc/15/70/78/266157078.db2.gz WCUOESZBTPVYGP-LSDHHAIUSA-N 1 1 336.417 0.437 20 30 ECEDMO C[C@H](CO)[N@H+]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000346675611 267164064 /nfs/dbraw/zinc/16/40/64/267164064.db2.gz WOBMKKPIVQJXNR-NVXWUHKLSA-N 1 1 333.432 0.686 20 30 ECEDMO C[C@H](CO)N1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000346675611 267164066 /nfs/dbraw/zinc/16/40/66/267164066.db2.gz WOBMKKPIVQJXNR-NVXWUHKLSA-N 1 1 333.432 0.686 20 30 ECEDMO C[C@H](CO)N1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000346675611 267164069 /nfs/dbraw/zinc/16/40/69/267164069.db2.gz WOBMKKPIVQJXNR-NVXWUHKLSA-N 1 1 333.432 0.686 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C1 ZINC000528583020 267335367 /nfs/dbraw/zinc/33/53/67/267335367.db2.gz QMVIMAABFXCSHD-QGZVFWFLSA-N 1 1 327.432 0.734 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H](N3CC[NH+](CCO)CC3)C2=O)cc1 ZINC000272202926 268110427 /nfs/dbraw/zinc/11/04/27/268110427.db2.gz ATUMVDPVKXPOFJ-QGZVFWFLSA-N 1 1 328.416 0.664 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000359515188 268178466 /nfs/dbraw/zinc/17/84/66/268178466.db2.gz MESLFERGQZDMKP-UKRRQHHQSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000359515188 268178468 /nfs/dbraw/zinc/17/84/68/268178468.db2.gz MESLFERGQZDMKP-UKRRQHHQSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1 ZINC000364078237 268178684 /nfs/dbraw/zinc/17/86/84/268178684.db2.gz XIGOBAQQOAUETB-PBHICJAKSA-N 1 1 331.372 0.872 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000528451462 268295949 /nfs/dbraw/zinc/29/59/49/268295949.db2.gz RVJSYADPSWSEBF-CVEARBPZSA-N 1 1 344.415 0.834 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000528520335 268296168 /nfs/dbraw/zinc/29/61/68/268296168.db2.gz FDQWYQIOCFRAGM-KRWDZBQOSA-N 1 1 341.415 0.839 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000528432481 268301417 /nfs/dbraw/zinc/30/14/17/268301417.db2.gz ZYWQXEKYOLAFMM-HZPDHXFCSA-N 1 1 329.400 0.995 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000364923624 268307407 /nfs/dbraw/zinc/30/74/07/268307407.db2.gz LIMMVQXSPYOGNJ-NSHDSACASA-N 1 1 342.446 0.701 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000364923624 268307409 /nfs/dbraw/zinc/30/74/09/268307409.db2.gz LIMMVQXSPYOGNJ-NSHDSACASA-N 1 1 342.446 0.701 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000069708621 275381804 /nfs/dbraw/zinc/38/18/04/275381804.db2.gz TVLAHCOGEUMCGI-QGZVFWFLSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](CO)c2ccc(OC)cc2)CC1 ZINC000490759893 275382535 /nfs/dbraw/zinc/38/25/35/275382535.db2.gz HJVFDNCJHIPRKF-SFHVURJKSA-N 1 1 345.443 0.438 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)CC1 ZINC000490759893 275382536 /nfs/dbraw/zinc/38/25/36/275382536.db2.gz HJVFDNCJHIPRKF-SFHVURJKSA-N 1 1 345.443 0.438 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000329243807 277102332 /nfs/dbraw/zinc/10/23/32/277102332.db2.gz TXQKTKVCUCFILT-GDBMZVCRSA-N 1 1 326.441 0.028 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)N(S(C)(=O)=O)C1 ZINC000329887452 277349370 /nfs/dbraw/zinc/34/93/70/277349370.db2.gz XLGNTEGPEQQYDO-REWJHTLYSA-N 1 1 345.465 0.619 20 30 ECEDMO C[C@H](CC#N)[N@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000268263337 279243677 /nfs/dbraw/zinc/24/36/77/279243677.db2.gz AHVXNCVGITYLCE-GFCCVEGCSA-N 1 1 335.408 0.896 20 30 ECEDMO C[C@H](CC#N)[N@@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000268263337 279243678 /nfs/dbraw/zinc/24/36/78/279243678.db2.gz AHVXNCVGITYLCE-GFCCVEGCSA-N 1 1 335.408 0.896 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC000091631987 280134428 /nfs/dbraw/zinc/13/44/28/280134428.db2.gz UZPPABOQSUCCJR-JKSUJKDBSA-N 1 1 336.480 0.914 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)C[N@H+]1C1CC1 ZINC000329962693 297193559 /nfs/dbraw/zinc/19/35/59/297193559.db2.gz SHMLYJFYNRZJMN-CHWSQXEVSA-N 1 1 344.481 0.145 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000074190951 436114820 /nfs/dbraw/zinc/11/48/20/436114820.db2.gz DOHNZVINTSQRGE-UHFFFAOYSA-N 1 1 347.463 0.843 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000075617411 436170270 /nfs/dbraw/zinc/17/02/70/436170270.db2.gz CHTXIPZQXBBCFC-UHFFFAOYSA-N 1 1 348.447 0.881 20 30 ECEDMO Cn1c(=O)c(C#N)c(N2CCC[N@H+](C3CCCC3)CC2)n(C)c1=O ZINC000077994995 436258353 /nfs/dbraw/zinc/25/83/53/436258353.db2.gz PENKUVIZQBYAQZ-UHFFFAOYSA-N 1 1 331.420 0.410 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000045572753 436370232 /nfs/dbraw/zinc/37/02/32/436370232.db2.gz WTRKNJBCBDITSH-HNNXBMFYSA-N 1 1 345.451 0.790 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090590608 436435289 /nfs/dbraw/zinc/43/52/89/436435289.db2.gz WNEISSPAWDXCIG-UHFFFAOYSA-N 1 1 345.363 0.498 20 30 ECEDMO C=CCCC[C@H](C)[NH+]1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000091508439 436453287 /nfs/dbraw/zinc/45/32/87/436453287.db2.gz NXLPMUGSYBOBGC-INIZCTEOSA-N 1 1 344.525 0.841 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000047260227 436414296 /nfs/dbraw/zinc/41/42/96/436414296.db2.gz QIRKEQLKMSJVEO-CYBMUJFWSA-N 1 1 345.403 0.744 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000047260227 436414300 /nfs/dbraw/zinc/41/43/00/436414300.db2.gz QIRKEQLKMSJVEO-CYBMUJFWSA-N 1 1 345.403 0.744 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCSCC3)CC2)o1 ZINC000089983324 436424958 /nfs/dbraw/zinc/42/49/58/436424958.db2.gz VMGSUMUPVRTCCF-UHFFFAOYSA-N 1 1 349.460 0.942 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093261584 436483820 /nfs/dbraw/zinc/48/38/20/436483820.db2.gz PSIWOECQXSUKEU-GFCCVEGCSA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCN(c2cc(C(=O)OC)ccn2)CC1 ZINC000055058319 436565526 /nfs/dbraw/zinc/56/55/26/436565526.db2.gz JCFMZGRZZMIJID-UHFFFAOYSA-N 1 1 332.404 0.683 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCN(c2cc(C(=O)OC)ccn2)CC1 ZINC000055058319 436565530 /nfs/dbraw/zinc/56/55/30/436565530.db2.gz JCFMZGRZZMIJID-UHFFFAOYSA-N 1 1 332.404 0.683 20 30 ECEDMO C#CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108434086 436617709 /nfs/dbraw/zinc/61/77/09/436617709.db2.gz XOIUNEQLVIXOIL-MRXNPFEDSA-N 1 1 328.416 0.816 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)c1 ZINC000058925314 436629964 /nfs/dbraw/zinc/62/99/64/436629964.db2.gz LPLRQEXZKLCDKF-AWEZNQCLSA-N 1 1 349.456 0.670 20 30 ECEDMO CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)CC(C)(C)O ZINC000114486755 436642601 /nfs/dbraw/zinc/64/26/01/436642601.db2.gz YCSIPSNPASLSEL-UHFFFAOYSA-N 1 1 349.435 0.596 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cnc3scc(C)n3c2=O)CC1 ZINC000271879976 436696329 /nfs/dbraw/zinc/69/63/29/436696329.db2.gz QHVARWIFOYOWIT-UHFFFAOYSA-N 1 1 330.413 0.846 20 30 ECEDMO CCN(C1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1)S(C)(=O)=O ZINC000066883570 436699635 /nfs/dbraw/zinc/69/96/35/436699635.db2.gz TVACGEZTHJGFSN-ZDUSSCGKSA-N 1 1 344.481 0.493 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C[NH+]1CCOCC1 ZINC000120895956 436700775 /nfs/dbraw/zinc/70/07/75/436700775.db2.gz UHTLKZYGTPGJNS-LBPRGKRZSA-N 1 1 348.378 0.720 20 30 ECEDMO COC(=O)CN1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000121384121 436713180 /nfs/dbraw/zinc/71/31/80/436713180.db2.gz YUBGDBMZTNFEDD-UHFFFAOYSA-N 1 1 327.388 0.887 20 30 ECEDMO COC(=O)CN1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000121384121 436713182 /nfs/dbraw/zinc/71/31/82/436713182.db2.gz YUBGDBMZTNFEDD-UHFFFAOYSA-N 1 1 327.388 0.887 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000139503772 436666156 /nfs/dbraw/zinc/66/61/56/436666156.db2.gz ZRDULXMZBCLVRD-HNNXBMFYSA-N 1 1 328.420 0.879 20 30 ECEDMO CC(C)(CCC#N)C[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000122059165 436732359 /nfs/dbraw/zinc/73/23/59/436732359.db2.gz ZFOFHMFVLCDUCY-UHFFFAOYSA-N 1 1 336.436 0.319 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000123156064 436738480 /nfs/dbraw/zinc/73/84/80/436738480.db2.gz VGTYBIMKZDETTD-AWEZNQCLSA-N 1 1 342.465 0.248 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000152912767 436744021 /nfs/dbraw/zinc/74/40/21/436744021.db2.gz BOKKJTDPMVOCQI-AWEZNQCLSA-N 1 1 334.420 0.072 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@](C)(O)C3)CC2)o1 ZINC000124451277 436751538 /nfs/dbraw/zinc/75/15/38/436751538.db2.gz SDNBSSHFCCTZEM-KRWDZBQOSA-N 1 1 347.419 0.350 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH+]2CCC(N3CCCCC3=O)CC2)CC1 ZINC000153268960 436753498 /nfs/dbraw/zinc/75/34/98/436753498.db2.gz IHKPLHQBHPVRGW-UHFFFAOYSA-N 1 1 346.475 0.241 20 30 ECEDMO C=CC[N@H+](C)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000121410670 436715449 /nfs/dbraw/zinc/71/54/49/436715449.db2.gz FOEJOEFRSZXOQK-LBPRGKRZSA-N 1 1 325.434 0.499 20 30 ECEDMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000156129703 436809715 /nfs/dbraw/zinc/80/97/15/436809715.db2.gz YNFNUPSQRDEJPU-AWEZNQCLSA-N 1 1 336.417 0.510 20 30 ECEDMO C[C@](O)(CNC(=O)Nc1ccc(CC#N)cc1)C[NH+]1CCOCC1 ZINC000156434775 436816506 /nfs/dbraw/zinc/81/65/06/436816506.db2.gz NWIWHIVPWZNDMX-KRWDZBQOSA-N 1 1 332.404 0.957 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1)C1CC1 ZINC000245814752 436768444 /nfs/dbraw/zinc/76/84/44/436768444.db2.gz REZLKHFTGNTGJZ-WMZOPIPTSA-N 1 1 334.464 0.982 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1CN1CCOCC1)C1CC1 ZINC000245814752 436768445 /nfs/dbraw/zinc/76/84/45/436768445.db2.gz REZLKHFTGNTGJZ-WMZOPIPTSA-N 1 1 334.464 0.982 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000155326465 436793093 /nfs/dbraw/zinc/79/30/93/436793093.db2.gz KUZVDAZMGXTXOC-HZPDHXFCSA-N 1 1 342.399 0.866 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1 ZINC000155326465 436793096 /nfs/dbraw/zinc/79/30/96/436793096.db2.gz KUZVDAZMGXTXOC-HZPDHXFCSA-N 1 1 342.399 0.866 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000248616275 436806303 /nfs/dbraw/zinc/80/63/03/436806303.db2.gz AKFAOYYRFMZTKD-JKSUJKDBSA-N 1 1 349.456 0.845 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000248616275 436806305 /nfs/dbraw/zinc/80/63/05/436806305.db2.gz AKFAOYYRFMZTKD-JKSUJKDBSA-N 1 1 349.456 0.845 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279946932 436852039 /nfs/dbraw/zinc/85/20/39/436852039.db2.gz LVPIQUJBIAUMKH-SFHVURJKSA-N 1 1 339.443 0.994 20 30 ECEDMO C[C@](C#N)(NC(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)C1CC1 ZINC000159395822 436858229 /nfs/dbraw/zinc/85/82/29/436858229.db2.gz VNIQPEOMXJEMTB-CRAIPNDOSA-N 1 1 347.463 0.209 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2ccccc2)CC1 ZINC000293869923 436915255 /nfs/dbraw/zinc/91/52/55/436915255.db2.gz BTWCLIOMLBRBPG-UHFFFAOYSA-N 1 1 342.443 0.407 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000293901216 436918969 /nfs/dbraw/zinc/91/89/69/436918969.db2.gz FEWQIDBADLKUQG-KKUMJFAQSA-N 1 1 333.432 0.621 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000293467522 436879718 /nfs/dbraw/zinc/87/97/18/436879718.db2.gz UOGVUGCUXXUPJW-UHFFFAOYSA-N 1 1 332.360 0.913 20 30 ECEDMO N#CCCOCC[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000293620034 436892323 /nfs/dbraw/zinc/89/23/23/436892323.db2.gz WBTQKBCEKKFQHV-UHFFFAOYSA-N 1 1 347.444 0.804 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000161727524 436896639 /nfs/dbraw/zinc/89/66/39/436896639.db2.gz LLDRKQVRDMLUEN-CQSZACIVSA-N 1 1 338.433 0.468 20 30 ECEDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000295097778 436962197 /nfs/dbraw/zinc/96/21/97/436962197.db2.gz GTPRMBANMNESDG-OAHLLOKOSA-N 1 1 341.408 0.837 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000295097778 436962200 /nfs/dbraw/zinc/96/22/00/436962200.db2.gz GTPRMBANMNESDG-OAHLLOKOSA-N 1 1 341.408 0.837 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000171111674 436968758 /nfs/dbraw/zinc/96/87/58/436968758.db2.gz YZLJPIZZIPXYHX-UHFFFAOYSA-N 1 1 332.404 0.373 20 30 ECEDMO C[NH+]=C(NCc1cn[nH]c1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000262587819 436938547 /nfs/dbraw/zinc/93/85/47/436938547.db2.gz TUXYGYTYGAMQJT-UHFFFAOYSA-N 1 1 330.392 0.845 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000294497227 436960633 /nfs/dbraw/zinc/96/06/33/436960633.db2.gz NOYAHYNDTNHTAO-OAHLLOKOSA-N 1 1 343.427 0.729 20 30 ECEDMO C#Cc1cc(F)c(NC(=O)C(=O)NCC[N@H+](C)CCOC)c(F)c1 ZINC000283135660 437024734 /nfs/dbraw/zinc/02/47/34/437024734.db2.gz CRIBTWWTRKOCNA-UHFFFAOYSA-N 1 1 339.342 0.579 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCc1cccc(OCC(=O)OC)c1 ZINC000296292311 436989036 /nfs/dbraw/zinc/98/90/36/436989036.db2.gz FHBLCGBEOZEJAU-UHFFFAOYSA-N 1 1 347.415 0.993 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NC1CCN(c2cc(C)[nH]n2)CC1 ZINC000296752327 436997848 /nfs/dbraw/zinc/99/78/48/436997848.db2.gz HRCWBTIASDDZRH-UHFFFAOYSA-N 1 1 332.452 0.941 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCc1ccc(OCCO)c(OC)c1 ZINC000296956165 436998250 /nfs/dbraw/zinc/99/82/50/436998250.db2.gz QNXPTBMSWMBDOQ-UHFFFAOYSA-N 1 1 349.431 0.821 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000296808790 436998846 /nfs/dbraw/zinc/99/88/46/436998846.db2.gz IOHZBVKSTHNSFS-LBPRGKRZSA-N 1 1 348.369 0.652 20 30 ECEDMO C[N@@H+](CCCO)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000281840659 437001166 /nfs/dbraw/zinc/00/11/66/437001166.db2.gz MVQZAHWQOJCQLR-KRWDZBQOSA-N 1 1 348.422 0.849 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000297291688 437008173 /nfs/dbraw/zinc/00/81/73/437008173.db2.gz HCXKKWYGTWTJDI-AWEZNQCLSA-N 1 1 335.429 0.769 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000297291688 437008176 /nfs/dbraw/zinc/00/81/76/437008176.db2.gz HCXKKWYGTWTJDI-AWEZNQCLSA-N 1 1 335.429 0.769 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000284122236 437042492 /nfs/dbraw/zinc/04/24/92/437042492.db2.gz VJXRURULIFGKMS-CYBMUJFWSA-N 1 1 332.404 0.430 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000299341372 437070646 /nfs/dbraw/zinc/07/06/46/437070646.db2.gz KJSHFDFHVRCOCI-UHFFFAOYSA-N 1 1 347.440 0.518 20 30 ECEDMO NC(=O)[C@]1(O)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000284858781 437074783 /nfs/dbraw/zinc/07/47/83/437074783.db2.gz DEMZNGCPCPAHMG-AWEZNQCLSA-N 1 1 328.290 0.859 20 30 ECEDMO C=CCCCNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000286278509 437088010 /nfs/dbraw/zinc/08/80/10/437088010.db2.gz FEKUWKNZIRDUGA-AWEZNQCLSA-N 1 1 338.452 0.128 20 30 ECEDMO CCOC(=O)N1CCC(NC(=[NH2+])NCCN2CCCCC2)CC1 ZINC000303793569 437156941 /nfs/dbraw/zinc/15/69/41/437156941.db2.gz ZOVGWKFNPDDRDF-UHFFFAOYSA-N 1 1 325.457 0.998 20 30 ECEDMO CN(C)C(=O)CN1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000305091255 437159643 /nfs/dbraw/zinc/15/96/43/437159643.db2.gz XJUNXGMHQWKCLM-QGZVFWFLSA-N 1 1 330.432 0.688 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)nc1 ZINC000301271961 437118527 /nfs/dbraw/zinc/11/85/27/437118527.db2.gz HUHCPFCQKYDXFD-KRWDZBQOSA-N 1 1 341.459 0.661 20 30 ECEDMO C[C@@H](CO)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000305789146 437164582 /nfs/dbraw/zinc/16/45/82/437164582.db2.gz STWMOQBWAKEOIJ-KBPBESRZSA-N 1 1 336.461 0.770 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000176362553 437140345 /nfs/dbraw/zinc/14/03/45/437140345.db2.gz UUYZZXKODCALSG-UHFFFAOYSA-N 1 1 336.342 0.730 20 30 ECEDMO CN1C(=O)N[C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CC[C@@H]21 ZINC000332187109 437210296 /nfs/dbraw/zinc/21/02/96/437210296.db2.gz WWCZHXLDXMXYJO-IMJJTQAJSA-N 1 1 330.388 0.396 20 30 ECEDMO C#CCOc1ccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000265932651 437211445 /nfs/dbraw/zinc/21/14/45/437211445.db2.gz GISFVKYGZYMRHR-UHFFFAOYSA-N 1 1 329.400 0.593 20 30 ECEDMO Cc1onc(CC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c1C#N ZINC000332561366 437232227 /nfs/dbraw/zinc/23/22/27/437232227.db2.gz QQSJIHIIBFMVLE-UHFFFAOYSA-N 1 1 333.436 0.930 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1C[C@@H]2COC[C@H](C1)O2)[NH+]1CCOCC1 ZINC000328802660 437264358 /nfs/dbraw/zinc/26/43/58/437264358.db2.gz MLIBTIDKFGLUHT-QLFBSQMISA-N 1 1 327.425 0.357 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCCn2ccnc2)CC1 ZINC000181089532 437309456 /nfs/dbraw/zinc/30/94/56/437309456.db2.gz ZZTASHXSVZNHHJ-QGZVFWFLSA-N 1 1 346.479 0.897 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000329048865 437309541 /nfs/dbraw/zinc/30/95/41/437309541.db2.gz KFICWVCHZHNEBA-IAGOWNOFSA-N 1 1 333.432 0.693 20 30 ECEDMO C=CCNC(=O)CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000181170766 437313573 /nfs/dbraw/zinc/31/35/73/437313573.db2.gz QFQBTKVDDYQUKS-UHFFFAOYSA-N 1 1 330.432 0.859 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000336944841 437317433 /nfs/dbraw/zinc/31/74/33/437317433.db2.gz MTGMFUAZIPGWJR-OCCSQVGLSA-N 1 1 330.454 0.166 20 30 ECEDMO CCOC(=O)C1(O)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000266965627 437272576 /nfs/dbraw/zinc/27/25/76/437272576.db2.gz YAADSYRGASPSIU-HNNXBMFYSA-N 1 1 348.399 0.688 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)CO[C@H](C)COC)c1 ZINC000278127519 437283947 /nfs/dbraw/zinc/28/39/47/437283947.db2.gz VSHZYBIUNDXQHI-PBHICJAKSA-N 1 1 334.416 0.951 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)CO[C@H](C)COC)c1 ZINC000278127519 437283949 /nfs/dbraw/zinc/28/39/49/437283949.db2.gz VSHZYBIUNDXQHI-PBHICJAKSA-N 1 1 334.416 0.951 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000180623986 437296129 /nfs/dbraw/zinc/29/61/29/437296129.db2.gz JIKLYUPWTSNHAH-SJORKVTESA-N 1 1 333.480 0.459 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)C1=O ZINC000337204623 437340257 /nfs/dbraw/zinc/34/02/57/437340257.db2.gz IAYNTJHHUMUCIR-KGLIPLIRSA-N 1 1 329.466 0.377 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)c1ccc(C#N)nc1 ZINC000288673404 437343965 /nfs/dbraw/zinc/34/39/65/437343965.db2.gz SWOPSYHCDGXNCZ-UHFFFAOYSA-N 1 1 339.465 0.457 20 30 ECEDMO CN(CCCN(C)S(=O)(=O)c1ccc(C#N)nc1)CC[NH+](C)C ZINC000288673404 437343971 /nfs/dbraw/zinc/34/39/71/437343971.db2.gz SWOPSYHCDGXNCZ-UHFFFAOYSA-N 1 1 339.465 0.457 20 30 ECEDMO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)c1 ZINC000268014958 437354781 /nfs/dbraw/zinc/35/47/81/437354781.db2.gz IMTGUDDJOIINEZ-MRXNPFEDSA-N 1 1 346.431 0.632 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000268067258 437361191 /nfs/dbraw/zinc/36/11/91/437361191.db2.gz CNXCCGFSSWQDAX-ZIAGYGMSSA-N 1 1 343.435 0.663 20 30 ECEDMO CN(C(=O)CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C1CCCCC1 ZINC000329423692 437367628 /nfs/dbraw/zinc/36/76/28/437367628.db2.gz HWXGLYUTQQEKQO-OAHLLOKOSA-N 1 1 339.484 0.527 20 30 ECEDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000337057893 437323317 /nfs/dbraw/zinc/32/33/17/437323317.db2.gz DOZGJUCHNHDOBR-ZIAGYGMSSA-N 1 1 330.454 0.119 20 30 ECEDMO CO/N=C/C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000289382128 437406353 /nfs/dbraw/zinc/40/63/53/437406353.db2.gz MOWDJESSGMJBAK-IXJMWADBSA-N 1 1 332.404 0.632 20 30 ECEDMO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000329773496 437411781 /nfs/dbraw/zinc/41/17/81/437411781.db2.gz LLWVCGOWHDUMIB-ZDUSSCGKSA-N 1 1 347.481 0.520 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000329773496 437411785 /nfs/dbraw/zinc/41/17/85/437411785.db2.gz LLWVCGOWHDUMIB-ZDUSSCGKSA-N 1 1 347.481 0.520 20 30 ECEDMO C[C@H](CNC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000329802926 437414273 /nfs/dbraw/zinc/41/42/73/437414273.db2.gz KTJHYQITWNNNQR-RTYDYXAVSA-N 1 1 344.525 0.625 20 30 ECEDMO CC[C@H](NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)C(=O)N1CCOCC1 ZINC000329811679 437415877 /nfs/dbraw/zinc/41/58/77/437415877.db2.gz RNPYMKSKNGCEOC-VHDGCEQUSA-N 1 1 338.452 0.610 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000329820121 437417636 /nfs/dbraw/zinc/41/76/36/437417636.db2.gz YEWBFYWXPXYTRI-MDZLAQPJSA-N 1 1 330.454 0.007 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000279588751 437427870 /nfs/dbraw/zinc/42/78/70/437427870.db2.gz REBPWLWDLYRGNV-GOSISDBHSA-N 1 1 331.416 0.075 20 30 ECEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000279141391 437379725 /nfs/dbraw/zinc/37/97/25/437379725.db2.gz XMKUCPDPXUTFNE-KRWDZBQOSA-N 1 1 341.371 0.561 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000268213170 437382708 /nfs/dbraw/zinc/38/27/08/437382708.db2.gz OZXJRHJWMGPMIW-WBMJQRKESA-N 1 1 326.400 0.887 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](CCO)C3)CC2)o1 ZINC000329625487 437392940 /nfs/dbraw/zinc/39/29/40/437392940.db2.gz STWTVZZODWJQJN-AWEZNQCLSA-N 1 1 347.419 0.208 20 30 ECEDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCO[C@H](CO)C1 ZINC000330249811 437474801 /nfs/dbraw/zinc/47/48/01/437474801.db2.gz GVWUTOGWKZLLNX-HNNXBMFYSA-N 1 1 341.452 0.629 20 30 ECEDMO O=C(NC1CCN(c2cccnn2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000330274993 437477164 /nfs/dbraw/zinc/47/71/64/437477164.db2.gz KXTOTAALHPACFB-OAHLLOKOSA-N 1 1 330.436 0.792 20 30 ECEDMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000330317647 437482101 /nfs/dbraw/zinc/48/21/01/437482101.db2.gz QLFTVMSIYWOYDD-UONOGXRCSA-N 1 1 347.481 0.520 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000330317647 437482103 /nfs/dbraw/zinc/48/21/03/437482103.db2.gz QLFTVMSIYWOYDD-UONOGXRCSA-N 1 1 347.481 0.520 20 30 ECEDMO COCCn1nnc2c1CCN(C(=O)N[C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000330340522 437486022 /nfs/dbraw/zinc/48/60/22/437486022.db2.gz YAISUVSKCUBRHF-UKRRQHHQSA-N 1 1 348.451 0.823 20 30 ECEDMO C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ncnn1C ZINC000329943851 437434727 /nfs/dbraw/zinc/43/47/27/437434727.db2.gz WKVFDESVDCPWTR-GJZGRUSLSA-N 1 1 349.483 0.892 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000289759105 437439375 /nfs/dbraw/zinc/43/93/75/437439375.db2.gz QWYXVXJFJCVFDZ-BPUTZDHNSA-N 1 1 335.448 0.850 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000329995450 437443683 /nfs/dbraw/zinc/44/36/83/437443683.db2.gz NFAGULLXYVFHET-PBHICJAKSA-N 1 1 340.468 0.416 20 30 ECEDMO C[NH+]1CCC(n2ccc([NH+]=C([O-])N[C@H]3CCc4ncnn4C3)n2)CC1 ZINC000330193580 437465552 /nfs/dbraw/zinc/46/55/52/437465552.db2.gz OGYXJTOPWZKYFX-LBPRGKRZSA-N 1 1 344.423 1.082 20 30 ECEDMO O=C(N[C@H]1CCn2ccnc2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000330184286 437466910 /nfs/dbraw/zinc/46/69/10/437466910.db2.gz IKTDOEXRHKZSQT-AWEZNQCLSA-N 1 1 333.436 0.909 20 30 ECEDMO N#C[C@@H]1CCC[C@@H]1NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000360069220 437514721 /nfs/dbraw/zinc/51/47/21/437514721.db2.gz CSLGOSCDUJMGCH-HOTGVXAUSA-N 1 1 337.468 0.368 20 30 ECEDMO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCCCC#N ZINC000343145666 437516588 /nfs/dbraw/zinc/51/65/88/437516588.db2.gz WPCMDDQAIBZVFZ-UHFFFAOYSA-N 1 1 337.468 0.281 20 30 ECEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCCCC#N ZINC000343145666 437516590 /nfs/dbraw/zinc/51/65/90/437516590.db2.gz WPCMDDQAIBZVFZ-UHFFFAOYSA-N 1 1 337.468 0.281 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C[NH+]1CCOCC1 ZINC000290686373 437517357 /nfs/dbraw/zinc/51/73/57/437517357.db2.gz FASZURQLPBHYRD-LBPRGKRZSA-N 1 1 348.378 0.720 20 30 ECEDMO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000330814057 437623979 /nfs/dbraw/zinc/62/39/79/437623979.db2.gz KOQZSFHGDDRERW-STQMWFEESA-N 1 1 333.454 0.130 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000354171927 437548393 /nfs/dbraw/zinc/54/83/93/437548393.db2.gz AQNGXXCMSGEUEZ-CQSZACIVSA-N 1 1 348.378 0.863 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000330664356 437583747 /nfs/dbraw/zinc/58/37/47/437583747.db2.gz FVKATUJWEWOQMR-ZDUSSCGKSA-N 1 1 337.445 0.927 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000330664356 437583751 /nfs/dbraw/zinc/58/37/51/437583751.db2.gz FVKATUJWEWOQMR-ZDUSSCGKSA-N 1 1 337.445 0.927 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@@H]3CO)CC2)o1 ZINC000190446851 437626594 /nfs/dbraw/zinc/62/65/94/437626594.db2.gz YEOLSCHDFYHCLM-WFASDCNBSA-N 1 1 347.419 0.206 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000343739191 437642151 /nfs/dbraw/zinc/64/21/51/437642151.db2.gz LUEVEKGQWWFWCB-XJKSGUPXSA-N 1 1 334.464 0.352 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@H+](C)CC)c1 ZINC000354742092 437649106 /nfs/dbraw/zinc/64/91/06/437649106.db2.gz QYXMJAKFYQHOLB-UHFFFAOYSA-N 1 1 325.434 0.832 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000361122890 437655711 /nfs/dbraw/zinc/65/57/11/437655711.db2.gz DUFOMIPUENECQC-MRXNPFEDSA-N 1 1 345.447 0.895 20 30 ECEDMO COC(=O)[C@@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C ZINC000331008703 437669500 /nfs/dbraw/zinc/66/95/00/437669500.db2.gz IJZGCLNVBSBAHZ-ZIAGYGMSSA-N 1 1 327.425 0.754 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000292224939 437670730 /nfs/dbraw/zinc/67/07/30/437670730.db2.gz AJJHVNYFKPVRDX-KGLIPLIRSA-N 1 1 341.477 0.249 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000192970250 437696907 /nfs/dbraw/zinc/69/69/07/437696907.db2.gz YQKWZRFCHSXNCA-UHFFFAOYSA-N 1 1 349.435 0.748 20 30 ECEDMO CC(C)C[C@H](CNC(=O)NCCn1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000343964118 437709767 /nfs/dbraw/zinc/70/97/67/437709767.db2.gz HQJYICYQJJUDEC-CQSZACIVSA-N 1 1 349.439 0.196 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000331226276 437721493 /nfs/dbraw/zinc/72/14/93/437721493.db2.gz ASXFJVCLOOZLKV-UHFFFAOYSA-N 1 1 347.423 0.675 20 30 ECEDMO C=C[C@H](CO)NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000292674634 437711043 /nfs/dbraw/zinc/71/10/43/437711043.db2.gz ZNIWHSIPIYSOEO-MRXNPFEDSA-N 1 1 346.431 0.420 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC000331189614 437712693 /nfs/dbraw/zinc/71/26/93/437712693.db2.gz KSNLOOJXPFKTFX-CZUORRHYSA-N 1 1 340.468 0.762 20 30 ECEDMO CCN(C)C(=O)[C@@H](C)NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000331214972 437717756 /nfs/dbraw/zinc/71/77/56/437717756.db2.gz NJGPIGCNZRITSP-HZSPNIEDSA-N 1 1 328.457 0.808 20 30 ECEDMO CCN(C)C(=O)[C@@H](C)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000331214972 437717760 /nfs/dbraw/zinc/71/77/60/437717760.db2.gz NJGPIGCNZRITSP-HZSPNIEDSA-N 1 1 328.457 0.808 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000370354493 437767667 /nfs/dbraw/zinc/76/76/67/437767667.db2.gz DDXSVYZOEFLDDC-ZACQAIPSSA-N 1 1 336.480 0.916 20 30 ECEDMO COC(=O)[C@H]1CC[C@@H](NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000331230992 437722128 /nfs/dbraw/zinc/72/21/28/437722128.db2.gz HSQXNYNVLOPTTJ-ZOBORPQBSA-N 1 1 327.425 0.629 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000362444641 437738991 /nfs/dbraw/zinc/73/89/91/437738991.db2.gz HQBQCDVUNPKPQG-AWEZNQCLSA-N 1 1 331.420 0.207 20 30 ECEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC(=O)NCC#N ZINC000344245894 437749813 /nfs/dbraw/zinc/74/98/13/437749813.db2.gz BAMZWKBCXWSJLG-UHFFFAOYSA-N 1 1 331.420 0.966 20 30 ECEDMO C=CCCC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000344594089 437760704 /nfs/dbraw/zinc/76/07/04/437760704.db2.gz FOFXNXJYUOLXPR-HUUCEWRRSA-N 1 1 331.482 0.924 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccncc2)CC1 ZINC000362920466 437760933 /nfs/dbraw/zinc/76/09/33/437760933.db2.gz MKDQNQMFRNGJHL-QGZVFWFLSA-N 1 1 340.427 0.854 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000341278798 437823959 /nfs/dbraw/zinc/82/39/59/437823959.db2.gz GFUNJYYIFLZFBP-HNNXBMFYSA-N 1 1 330.388 0.125 20 30 ECEDMO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1cccc(S(N)(=O)=O)c1 ZINC000347010794 437825326 /nfs/dbraw/zinc/82/53/26/437825326.db2.gz MFRJWQLPSGEGEZ-NSHDSACASA-N 1 1 336.417 0.547 20 30 ECEDMO N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000363638167 437803365 /nfs/dbraw/zinc/80/33/65/437803365.db2.gz QCLFZSYBFOJUEM-IAGOWNOFSA-N 1 1 347.463 0.563 20 30 ECEDMO N#Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341919484 437926576 /nfs/dbraw/zinc/92/65/76/437926576.db2.gz PJVXSTMFLQKOTD-LLVKDONJSA-N 1 1 332.364 0.861 20 30 ECEDMO C=CCCOCCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000342029791 437948381 /nfs/dbraw/zinc/94/83/81/437948381.db2.gz XBIDIFSAKOXTMN-CABCVRRESA-N 1 1 325.453 0.932 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)Nc2snc(C)c2C#N)CC[N@H+](C)C1 ZINC000417097080 438021496 /nfs/dbraw/zinc/02/14/96/438021496.db2.gz AWOHSDNTUJJGNV-JTQLQIEISA-N 1 1 337.405 0.892 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)Nc2snc(C)c2C#N)CC[N@@H+](C)C1 ZINC000417097080 438021500 /nfs/dbraw/zinc/02/15/00/438021500.db2.gz AWOHSDNTUJJGNV-JTQLQIEISA-N 1 1 337.405 0.892 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000371999923 438022988 /nfs/dbraw/zinc/02/29/88/438022988.db2.gz RRGUKGYWYWYLAC-CQSZACIVSA-N 1 1 347.419 0.902 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000371999923 438022992 /nfs/dbraw/zinc/02/29/92/438022992.db2.gz RRGUKGYWYWYLAC-CQSZACIVSA-N 1 1 347.419 0.902 20 30 ECEDMO C=CCn1cc(CNC(=O)NC2CC[NH+](CCN(C)C)CC2)nn1 ZINC000425654858 438029846 /nfs/dbraw/zinc/02/98/46/438029846.db2.gz QQFVWPRWTNVFGK-UHFFFAOYSA-N 1 1 335.456 0.289 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000427717547 438083082 /nfs/dbraw/zinc/08/30/82/438083082.db2.gz CKWBYUGJPMTRTN-KBPBESRZSA-N 1 1 332.466 0.545 20 30 ECEDMO CS(=O)(=O)NCC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000348706334 438086106 /nfs/dbraw/zinc/08/61/06/438086106.db2.gz HGXNXJYIWWWOFW-UHFFFAOYSA-N 1 1 347.444 0.967 20 30 ECEDMO C=CCNC(=O)NC(=O)CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372331080 438070005 /nfs/dbraw/zinc/07/00/05/438070005.db2.gz NGUKCXFVUUPINH-RRFJBIMHSA-N 1 1 338.452 0.477 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000372331080 438070009 /nfs/dbraw/zinc/07/00/09/438070009.db2.gz NGUKCXFVUUPINH-RRFJBIMHSA-N 1 1 338.452 0.477 20 30 ECEDMO C#CC[C@H](C)NC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000366640983 438108122 /nfs/dbraw/zinc/10/81/22/438108122.db2.gz IDFSXEBGJTXJST-IRXDYDNUSA-N 1 1 336.480 0.835 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000430403721 438110658 /nfs/dbraw/zinc/11/06/58/438110658.db2.gz VNOFTHOJICEFQV-FPCVCCKLSA-N 1 1 337.464 0.882 20 30 ECEDMO COC(=O)c1cn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000358040302 438128528 /nfs/dbraw/zinc/12/85/28/438128528.db2.gz YEJOXPCKHFBXIR-CHWSQXEVSA-N 1 1 348.407 0.462 20 30 ECEDMO COC(=O)c1cn([C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000358040302 438128531 /nfs/dbraw/zinc/12/85/31/438128531.db2.gz YEJOXPCKHFBXIR-CHWSQXEVSA-N 1 1 348.407 0.462 20 30 ECEDMO N#CCC1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000431141547 438148566 /nfs/dbraw/zinc/14/85/66/438148566.db2.gz WOXMAZCNHHFWTI-HNNXBMFYSA-N 1 1 348.447 0.510 20 30 ECEDMO C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000367288222 438192402 /nfs/dbraw/zinc/19/24/02/438192402.db2.gz WDSOQJXJUUNSIT-AWEZNQCLSA-N 1 1 337.445 0.777 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000367288222 438192403 /nfs/dbraw/zinc/19/24/03/438192403.db2.gz WDSOQJXJUUNSIT-AWEZNQCLSA-N 1 1 337.445 0.777 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000375315927 438247272 /nfs/dbraw/zinc/24/72/72/438247272.db2.gz BTRACRZVQNSXOS-HZPDHXFCSA-N 1 1 345.451 0.217 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000375315927 438247278 /nfs/dbraw/zinc/24/72/78/438247278.db2.gz BTRACRZVQNSXOS-HZPDHXFCSA-N 1 1 345.451 0.217 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358436083 438225888 /nfs/dbraw/zinc/22/58/88/438225888.db2.gz LXTSDKKDRBXVSJ-QGZVFWFLSA-N 1 1 332.404 0.791 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)CC(C)(C)C#N)c(=O)n2C ZINC000433283541 438234429 /nfs/dbraw/zinc/23/44/29/438234429.db2.gz CRPKUCHUCDSCOR-UHFFFAOYSA-N 1 1 332.408 0.305 20 30 ECEDMO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358481026 438235325 /nfs/dbraw/zinc/23/53/25/438235325.db2.gz OQFLPBKPEOPDQK-KRWDZBQOSA-N 1 1 348.403 0.772 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000374455705 438210532 /nfs/dbraw/zinc/21/05/32/438210532.db2.gz CQCKYEPYCDRQOV-KGLIPLIRSA-N 1 1 344.481 0.508 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000374455705 438210534 /nfs/dbraw/zinc/21/05/34/438210534.db2.gz CQCKYEPYCDRQOV-KGLIPLIRSA-N 1 1 344.481 0.508 20 30 ECEDMO Cc1ccc(N2CCC(NC(=O)NCC(=O)NCC#N)CC2)[nH+]c1 ZINC000376320008 438280248 /nfs/dbraw/zinc/28/02/48/438280248.db2.gz GITKFMYRSDZTBO-UHFFFAOYSA-N 1 1 330.392 0.298 20 30 ECEDMO C[C@]1(CNC(=O)NCC(=O)NCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000376496993 438282930 /nfs/dbraw/zinc/28/29/30/438282930.db2.gz DIJXDCYPJNBOBK-GOSISDBHSA-N 1 1 343.431 0.838 20 30 ECEDMO C[C@@H](CN1CCOCC1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000434712450 438319200 /nfs/dbraw/zinc/31/92/00/438319200.db2.gz CAUMMJDKTSUMGP-HNNXBMFYSA-N 1 1 330.432 0.827 20 30 ECEDMO C[C@@H](CN1CCOCC1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000434712450 438319205 /nfs/dbraw/zinc/31/92/05/438319205.db2.gz CAUMMJDKTSUMGP-HNNXBMFYSA-N 1 1 330.432 0.827 20 30 ECEDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC(=O)NCC#N ZINC000377108758 438302511 /nfs/dbraw/zinc/30/25/11/438302511.db2.gz RYAPJXPVQAKEGG-ZDUSSCGKSA-N 1 1 332.408 0.820 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(C(=O)NCC(=O)NCC#N)C[C@@H]2[C@H]1c1ccccc1 ZINC000377065843 438302598 /nfs/dbraw/zinc/30/25/98/438302598.db2.gz HLXDRNPJOUXBEI-HLLBOEOZSA-N 1 1 341.415 0.570 20 30 ECEDMO C#CCCS(=O)(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000377363784 438309259 /nfs/dbraw/zinc/30/92/59/438309259.db2.gz NWAQPTURXCVTRE-XYPWUTKMSA-N 1 1 325.478 0.582 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000369208428 438439430 /nfs/dbraw/zinc/43/94/30/438439430.db2.gz XURZFAIAIKXIDS-CBBWQLFWSA-N 1 1 326.466 0.881 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000420312554 438396479 /nfs/dbraw/zinc/39/64/79/438396479.db2.gz HZESGVPDAYWACO-OAGGEKHMSA-N 1 1 334.464 0.354 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000420312554 438396484 /nfs/dbraw/zinc/39/64/84/438396484.db2.gz HZESGVPDAYWACO-OAGGEKHMSA-N 1 1 334.464 0.354 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000378634007 438408788 /nfs/dbraw/zinc/40/87/88/438408788.db2.gz BHKRKNDYFMBKNE-KGLIPLIRSA-N 1 1 329.466 0.713 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000369403998 438467978 /nfs/dbraw/zinc/46/79/78/438467978.db2.gz XWSZQJZZOXJTMJ-UGUYLWEFSA-N 1 1 336.436 0.810 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000369328696 438455337 /nfs/dbraw/zinc/45/53/37/438455337.db2.gz CLDOLNMVGSWSSA-CYBMUJFWSA-N 1 1 332.470 0.244 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000440950033 438572296 /nfs/dbraw/zinc/57/22/96/438572296.db2.gz AKYOFRFSSGFBOU-GXTWGEPZSA-N 1 1 346.435 1.215 20 30 ECEDMO C[C@](O)(CNC(=O)NCC1CCC(C#N)CC1)C[NH+]1CCOCC1 ZINC000442726454 438620708 /nfs/dbraw/zinc/62/07/08/438620708.db2.gz CMQLHGPLATVHGW-DQPZFDDXSA-N 1 1 338.452 0.699 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451671695 438706118 /nfs/dbraw/zinc/70/61/18/438706118.db2.gz QVISNPZLLPUOBG-AWEZNQCLSA-N 1 1 341.408 0.822 20 30 ECEDMO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000451671695 438706120 /nfs/dbraw/zinc/70/61/20/438706120.db2.gz QVISNPZLLPUOBG-AWEZNQCLSA-N 1 1 341.408 0.822 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411972942 438683929 /nfs/dbraw/zinc/68/39/29/438683929.db2.gz WQZMHSMCXMEDNC-UGSOOPFHSA-N 1 1 344.415 0.516 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412055188 438685110 /nfs/dbraw/zinc/68/51/10/438685110.db2.gz KQYUCRUUZUTTCS-KBPBESRZSA-N 1 1 336.436 0.864 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)C1 ZINC000448924521 438686200 /nfs/dbraw/zinc/68/62/00/438686200.db2.gz ZNYLXAONVJPNDJ-LZLYRXPVSA-N 1 1 334.464 0.790 20 30 ECEDMO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000453819147 438695844 /nfs/dbraw/zinc/69/58/44/438695844.db2.gz MNHNZTLZXARACN-CQSZACIVSA-N 1 1 348.378 0.599 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1C#N ZINC000453829216 438696929 /nfs/dbraw/zinc/69/69/29/438696929.db2.gz ZDXWWJZPAFTNBF-CQSZACIVSA-N 1 1 344.415 0.768 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000453823740 438697752 /nfs/dbraw/zinc/69/77/52/438697752.db2.gz SGFSGNHMDNNCEA-HNNXBMFYSA-N 1 1 344.415 0.768 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000451328595 438698100 /nfs/dbraw/zinc/69/81/00/438698100.db2.gz KYLXULLMQUDBOE-HZPDHXFCSA-N 1 1 325.409 0.552 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000451328595 438698102 /nfs/dbraw/zinc/69/81/02/438698102.db2.gz KYLXULLMQUDBOE-HZPDHXFCSA-N 1 1 325.409 0.552 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C[C@H](C)[N@H+]1CCO ZINC000453939120 438702251 /nfs/dbraw/zinc/70/22/51/438702251.db2.gz QEKWQVXCIBPFOV-TXEJJXNPSA-N 1 1 348.378 0.549 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C[C@H](C)[N@@H+]1CCO ZINC000453939120 438702254 /nfs/dbraw/zinc/70/22/54/438702254.db2.gz QEKWQVXCIBPFOV-TXEJJXNPSA-N 1 1 348.378 0.549 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000493907777 438658882 /nfs/dbraw/zinc/65/88/82/438658882.db2.gz KFNBOJUCAQLYBG-LLVKDONJSA-N 1 1 328.413 0.843 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000493907777 438658885 /nfs/dbraw/zinc/65/88/85/438658885.db2.gz KFNBOJUCAQLYBG-LLVKDONJSA-N 1 1 328.413 0.843 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000455439468 438746249 /nfs/dbraw/zinc/74/62/49/438746249.db2.gz WNFLIBGXXWFZSJ-ZNMIVQPWSA-N 1 1 339.436 0.999 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000455439468 438746251 /nfs/dbraw/zinc/74/62/51/438746251.db2.gz WNFLIBGXXWFZSJ-ZNMIVQPWSA-N 1 1 339.436 0.999 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](CC)C(N)=O)C3)C2)nn1 ZINC001041729653 782071067 /nfs/dbraw/zinc/07/10/67/782071067.db2.gz VTBMEENRXIZBSO-YOEHRIQHSA-N 1 1 346.435 0.266 20 30 ECEDMO Cc1ncc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1C#N ZINC000451674021 438707785 /nfs/dbraw/zinc/70/77/85/438707785.db2.gz XBZMNNBVADAYMS-CQSZACIVSA-N 1 1 338.433 0.387 20 30 ECEDMO Cc1ncc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1C#N ZINC000451674021 438707787 /nfs/dbraw/zinc/70/77/87/438707787.db2.gz XBZMNNBVADAYMS-CQSZACIVSA-N 1 1 338.433 0.387 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](CC)C(N)=O)C3)C2)nn1 ZINC001041729651 782071466 /nfs/dbraw/zinc/07/14/66/782071466.db2.gz VTBMEENRXIZBSO-WMLDXEAASA-N 1 1 346.435 0.266 20 30 ECEDMO N#Cc1ncn(CC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)n1 ZINC000507269068 438806488 /nfs/dbraw/zinc/80/64/88/438806488.db2.gz VPLHJPOQNMLBMY-GFCCVEGCSA-N 1 1 349.192 0.728 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000576412257 438782561 /nfs/dbraw/zinc/78/25/61/438782561.db2.gz MAOMPBQRYGUJKU-HUUCEWRRSA-N 1 1 344.481 0.509 20 30 ECEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588128615 438820320 /nfs/dbraw/zinc/82/03/20/438820320.db2.gz AGSDWRMMYBNNMP-MRXNPFEDSA-N 1 1 349.479 0.423 20 30 ECEDMO N#Cc1ccnc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000588369183 438832666 /nfs/dbraw/zinc/83/26/66/438832666.db2.gz OFMOISBQCZVTBJ-OAHLLOKOSA-N 1 1 329.404 0.090 20 30 ECEDMO N#CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000595620278 438836218 /nfs/dbraw/zinc/83/62/18/438836218.db2.gz LNAAFDWDDGOQSV-HNNXBMFYSA-N 1 1 344.415 0.793 20 30 ECEDMO N#CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000595620278 438836223 /nfs/dbraw/zinc/83/62/23/438836223.db2.gz LNAAFDWDDGOQSV-HNNXBMFYSA-N 1 1 344.415 0.793 20 30 ECEDMO C=CCN(C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000578182064 438903663 /nfs/dbraw/zinc/90/36/63/438903663.db2.gz VTCBIZSUQNBBIB-KGLIPLIRSA-N 1 1 337.445 0.956 20 30 ECEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000590290276 438907117 /nfs/dbraw/zinc/90/71/17/438907117.db2.gz UVBGDULLVJHDFJ-QGZVFWFLSA-N 1 1 344.419 0.828 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@](O)(C3CC3)C2)CC1 ZINC000595748635 438856933 /nfs/dbraw/zinc/85/69/33/438856933.db2.gz BPNWUCHFJZOOAF-IEBWSBKVSA-N 1 1 348.491 0.916 20 30 ECEDMO C[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC[N@H+](C2CCC2)C1 ZINC000515739938 438878253 /nfs/dbraw/zinc/87/82/53/438878253.db2.gz PSLZHDCYIDHZTN-HIFRSBDPSA-N 1 1 342.465 0.262 20 30 ECEDMO N#CCCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000601535261 438927524 /nfs/dbraw/zinc/92/75/24/438927524.db2.gz YXZXJOGWPLMCGI-INIZCTEOSA-N 1 1 347.463 0.177 20 30 ECEDMO Cc1cc(N[C@@H]2CC(=O)N(C)C2)c(C#N)c(N[C@@H]2CC(=O)N(C)C2)[nH+]1 ZINC000596134752 438931256 /nfs/dbraw/zinc/93/12/56/438931256.db2.gz PRGWOYAOBKRJBF-VXGBXAGGSA-N 1 1 342.403 0.547 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000590783681 438957485 /nfs/dbraw/zinc/95/74/85/438957485.db2.gz HZTNXYDRAYEWRJ-UHFFFAOYSA-N 1 1 344.415 0.720 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000590783681 438957488 /nfs/dbraw/zinc/95/74/88/438957488.db2.gz HZTNXYDRAYEWRJ-UHFFFAOYSA-N 1 1 344.415 0.720 20 30 ECEDMO C[C@](O)(CNC(=O)NCc1ccc(CC#N)cc1)C[NH+]1CCOCC1 ZINC000565889253 438987322 /nfs/dbraw/zinc/98/73/22/438987322.db2.gz HJMYFNVLQGCYIL-SFHVURJKSA-N 1 1 346.431 0.635 20 30 ECEDMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000519620576 439047263 /nfs/dbraw/zinc/04/72/63/439047263.db2.gz CDUHIGPLBGZLAJ-IRXDYDNUSA-N 1 1 335.496 0.705 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nn1 ZINC000566145768 439012282 /nfs/dbraw/zinc/01/22/82/439012282.db2.gz UIHYPHDFBTWWJW-INIZCTEOSA-N 1 1 348.451 0.860 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000602116259 439014392 /nfs/dbraw/zinc/01/43/92/439014392.db2.gz CJMWTPRCHBQBTH-ZFWWWQNUSA-N 1 1 328.420 0.870 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)NCc2ccc(CC#N)cc2)CC[N@@H+](C)C1 ZINC000566158454 439015033 /nfs/dbraw/zinc/01/50/33/439015033.db2.gz KGFOIVCPAUABOJ-MRXNPFEDSA-N 1 1 344.415 0.999 20 30 ECEDMO CC1(C)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](CO)O1 ZINC000591475977 439018530 /nfs/dbraw/zinc/01/85/30/439018530.db2.gz HCAPFVKBHIFARF-DOTOQJQBSA-N 1 1 334.416 0.964 20 30 ECEDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](CO)O1 ZINC000591475977 439018534 /nfs/dbraw/zinc/01/85/34/439018534.db2.gz HCAPFVKBHIFARF-DOTOQJQBSA-N 1 1 334.416 0.964 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)CC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000597478439 439106997 /nfs/dbraw/zinc/10/69/97/439106997.db2.gz RJKIGHLZTQSLNS-AWEZNQCLSA-N 1 1 337.420 0.793 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)CC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000597478439 439106998 /nfs/dbraw/zinc/10/69/98/439106998.db2.gz RJKIGHLZTQSLNS-AWEZNQCLSA-N 1 1 337.420 0.793 20 30 ECEDMO C[C@]1(CO)C[C@H](O)C[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000602900269 439154361 /nfs/dbraw/zinc/15/43/61/439154361.db2.gz SFOHPMVGJDBWRT-LZLYRXPVSA-N 1 1 329.400 0.871 20 30 ECEDMO Cn1c2ncn(CC[N@H+](C)[C@@H]3CCC[C@@H]3C#N)c2c(=O)n(C)c1=O ZINC000602980213 439175394 /nfs/dbraw/zinc/17/53/94/439175394.db2.gz NABGSUQYDCLOJN-VXGBXAGGSA-N 1 1 330.392 0.058 20 30 ECEDMO Cn1c2ncn(CC[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)c2c(=O)n(C)c1=O ZINC000602980213 439175396 /nfs/dbraw/zinc/17/53/96/439175396.db2.gz NABGSUQYDCLOJN-VXGBXAGGSA-N 1 1 330.392 0.058 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000567888498 439191898 /nfs/dbraw/zinc/19/18/98/439191898.db2.gz HMTYCXKWRYSZAC-MRXNPFEDSA-N 1 1 329.360 0.612 20 30 ECEDMO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000603155344 439197115 /nfs/dbraw/zinc/19/71/15/439197115.db2.gz JCIHALSLJVEOCI-SJORKVTESA-N 1 1 328.416 0.926 20 30 ECEDMO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000603155344 439197118 /nfs/dbraw/zinc/19/71/18/439197118.db2.gz JCIHALSLJVEOCI-SJORKVTESA-N 1 1 328.416 0.926 20 30 ECEDMO N#Cc1sccc1N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000597936074 439198952 /nfs/dbraw/zinc/19/89/52/439198952.db2.gz JUEIQZRWTLPAON-HNNXBMFYSA-N 1 1 345.472 0.658 20 30 ECEDMO COCC(=O)NC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000603681735 439277488 /nfs/dbraw/zinc/27/74/88/439277488.db2.gz DNFLCEZPQOYFHJ-UHFFFAOYSA-N 1 1 336.436 0.556 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)n(CCC#N)n1 ZINC000526686267 439245008 /nfs/dbraw/zinc/24/50/08/439245008.db2.gz LZJJWHUVWTVNDI-UHFFFAOYSA-N 1 1 332.408 0.596 20 30 ECEDMO N#CCC(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000568527043 439254903 /nfs/dbraw/zinc/25/49/03/439254903.db2.gz OMFXGWZMGFZRCZ-UHFFFAOYSA-N 1 1 345.359 0.981 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[nH]1 ZINC000603412773 439256420 /nfs/dbraw/zinc/25/64/20/439256420.db2.gz SXBHWWQXAUJMQB-HNNXBMFYSA-N 1 1 331.420 0.413 20 30 ECEDMO C[C@]1(C#N)CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000598410753 439260677 /nfs/dbraw/zinc/26/06/77/439260677.db2.gz FWBUVDUONQGACH-MAUKXSAKSA-N 1 1 348.447 0.462 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](CO)[C@H](O)C3)C2=O)cc1 ZINC000569328457 439322039 /nfs/dbraw/zinc/32/20/39/439322039.db2.gz CWHJFQXLJJHPDU-BHYGNILZSA-N 1 1 329.400 0.729 20 30 ECEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](CO)[C@H](O)C3)C2=O)cc1 ZINC000569328457 439322046 /nfs/dbraw/zinc/32/20/46/439322046.db2.gz CWHJFQXLJJHPDU-BHYGNILZSA-N 1 1 329.400 0.729 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000491069229 439327624 /nfs/dbraw/zinc/32/76/24/439327624.db2.gz UWXSIIUCLHKDSI-CQSZACIVSA-N 1 1 349.435 0.424 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CCCOCC(F)(F)F)CC1 ZINC000491069796 439328532 /nfs/dbraw/zinc/32/85/32/439328532.db2.gz YFLJHJYITBGGMD-UHFFFAOYSA-N 1 1 335.370 0.713 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000491069359 439329176 /nfs/dbraw/zinc/32/91/76/439329176.db2.gz VICRLEVPBBFIMC-AWEZNQCLSA-N 1 1 332.448 0.808 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000490714338 439289224 /nfs/dbraw/zinc/28/92/24/439289224.db2.gz OVUSBQASVOXLAT-CQSZACIVSA-N 1 1 349.456 0.670 20 30 ECEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000598615361 439289397 /nfs/dbraw/zinc/28/93/97/439289397.db2.gz XDRZVECRNVRIID-UONOGXRCSA-N 1 1 329.466 0.787 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](CCOC)Cc2ccccc2)CC1 ZINC000490742112 439293648 /nfs/dbraw/zinc/29/36/48/439293648.db2.gz VGSHDALRLIJKSI-UHFFFAOYSA-N 1 1 329.444 0.912 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](CCOC)Cc2ccccc2)CC1 ZINC000490742112 439293655 /nfs/dbraw/zinc/29/36/55/439293655.db2.gz VGSHDALRLIJKSI-UHFFFAOYSA-N 1 1 329.444 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000490875413 439308046 /nfs/dbraw/zinc/30/80/46/439308046.db2.gz PYYUIPDPEJGYME-SOUVJXGZSA-N 1 1 332.400 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000490874744 439308251 /nfs/dbraw/zinc/30/82/51/439308251.db2.gz NXSUKWDVMXDCGL-CQSZACIVSA-N 1 1 328.434 0.299 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000491201706 439348220 /nfs/dbraw/zinc/34/82/20/439348220.db2.gz IUIXUHMYHKDHIB-JKSUJKDBSA-N 1 1 332.448 0.784 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000491200994 439348910 /nfs/dbraw/zinc/34/89/10/439348910.db2.gz DVVLJYOQROAQHG-UHFFFAOYSA-N 1 1 346.435 0.157 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000491228803 439354393 /nfs/dbraw/zinc/35/43/93/439354393.db2.gz BZTVOFHSENYPCG-UHFFFAOYSA-N 1 1 329.466 0.264 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)CC1 ZINC000491241471 439354894 /nfs/dbraw/zinc/35/48/94/439354894.db2.gz JONDCRNQCVDFLD-AEFFLSMTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)CC1 ZINC000491241471 439354899 /nfs/dbraw/zinc/35/48/99/439354899.db2.gz JONDCRNQCVDFLD-AEFFLSMTSA-N 1 1 335.448 0.034 20 30 ECEDMO C#C[C@H]1COCCN1C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000491337436 439368237 /nfs/dbraw/zinc/36/82/37/439368237.db2.gz AEPAVSKGNDKCQO-HNNXBMFYSA-N 1 1 336.436 0.021 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000491427712 439381342 /nfs/dbraw/zinc/38/13/42/439381342.db2.gz LTMZFONMMAHTCW-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO C#CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CC1 ZINC000491483328 439392056 /nfs/dbraw/zinc/39/20/56/439392056.db2.gz BBCLBFRMWLORDP-VHRNVKJDSA-N 1 1 332.448 0.877 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000593537461 439396387 /nfs/dbraw/zinc/39/63/87/439396387.db2.gz KOYOIUTWPXKXML-GFCCVEGCSA-N 1 1 349.412 0.860 20 30 ECEDMO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000593537461 439396393 /nfs/dbraw/zinc/39/63/93/439396393.db2.gz KOYOIUTWPXKXML-GFCCVEGCSA-N 1 1 349.412 0.860 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000491516965 439398273 /nfs/dbraw/zinc/39/82/73/439398273.db2.gz WACGKYVKHXYVMY-CYBMUJFWSA-N 1 1 334.420 0.311 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000491568651 439407547 /nfs/dbraw/zinc/40/75/47/439407547.db2.gz ROAWNHSAJROPPA-UHFFFAOYSA-N 1 1 344.415 0.847 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000491568651 439407551 /nfs/dbraw/zinc/40/75/51/439407551.db2.gz ROAWNHSAJROPPA-UHFFFAOYSA-N 1 1 344.415 0.847 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000491523370 439400095 /nfs/dbraw/zinc/40/00/95/439400095.db2.gz DLLCFEIMMLPPAF-QGZVFWFLSA-N 1 1 348.491 0.535 20 30 ECEDMO CC[C@H](C#N)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000593443925 439382953 /nfs/dbraw/zinc/38/29/53/439382953.db2.gz LHZIBROHALTBSO-MRXNPFEDSA-N 1 1 328.416 0.997 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCc1nnc(C2CC[NH2+]CC2)[n-]1 ZINC000491616028 439412994 /nfs/dbraw/zinc/41/29/94/439412994.db2.gz HWWSBWCNMAYYED-UHFFFAOYSA-N 1 1 333.440 0.026 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1nnc(C2CC[NH2+]CC2)[n-]1 ZINC000491616028 439412998 /nfs/dbraw/zinc/41/29/98/439412998.db2.gz HWWSBWCNMAYYED-UHFFFAOYSA-N 1 1 333.440 0.026 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000491669957 439424872 /nfs/dbraw/zinc/42/48/72/439424872.db2.gz OIGIHHBZWGQSGB-UHFFFAOYSA-N 1 1 328.416 0.727 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(=O)n(Cc2nc(C)no2)c1 ZINC000491712790 439431761 /nfs/dbraw/zinc/43/17/61/439431761.db2.gz AQHZGGFKUONTHH-UHFFFAOYSA-N 1 1 343.387 0.273 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000491812362 439455831 /nfs/dbraw/zinc/45/58/31/439455831.db2.gz DWCJIKAQPRLRCJ-CQSZACIVSA-N 1 1 329.400 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1nnn(-c2cnn(C)c2)c1C ZINC000491745454 439439558 /nfs/dbraw/zinc/43/95/58/439439558.db2.gz KOWVSWMHEJGVQC-ZDUSSCGKSA-N 1 1 328.376 0.564 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1nnn(-c2cnn(C)c2)c1C ZINC000491745454 439439565 /nfs/dbraw/zinc/43/95/65/439439565.db2.gz KOWVSWMHEJGVQC-ZDUSSCGKSA-N 1 1 328.376 0.564 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000491782551 439447459 /nfs/dbraw/zinc/44/74/59/439447459.db2.gz OJUOXSKUKJHGAZ-UHFFFAOYSA-N 1 1 329.447 0.009 20 30 ECEDMO C[NH+]1CCC(C#N)(NC(=O)c2cncc(N3CCCC3=O)c2)CC1 ZINC000599380968 439451726 /nfs/dbraw/zinc/45/17/26/439451726.db2.gz SDKSIMVPIUGIKY-UHFFFAOYSA-N 1 1 327.388 0.926 20 30 ECEDMO COC(=O)[C@H]1CN(C[C@@H](O)COc2ccccc2C#N)CC[N@@H+](C)C1 ZINC000599438114 439467628 /nfs/dbraw/zinc/46/76/28/439467628.db2.gz MCLUWEKLKFHVIX-HZPDHXFCSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@@H]1CN(C)CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000599438114 439467633 /nfs/dbraw/zinc/46/76/33/439467633.db2.gz MCLUWEKLKFHVIX-HZPDHXFCSA-N 1 1 347.415 0.335 20 30 ECEDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000599438114 439467636 /nfs/dbraw/zinc/46/76/36/439467636.db2.gz MCLUWEKLKFHVIX-HZPDHXFCSA-N 1 1 347.415 0.335 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2(C#N)CC(C)C2)CC1=O ZINC000583496093 439470633 /nfs/dbraw/zinc/47/06/33/439470633.db2.gz BRFAWNMNCVDKAQ-UUCFBXCCSA-N 1 1 336.436 0.222 20 30 ECEDMO N#Cc1ccc(-c2nnc(CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)o2)cc1 ZINC000594026649 439510599 /nfs/dbraw/zinc/51/05/99/439510599.db2.gz GPJIOZCVGOTSRO-LSDHHAIUSA-N 1 1 325.372 0.859 20 30 ECEDMO COC(=O)C[C@H](N)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593919606 439493601 /nfs/dbraw/zinc/49/36/01/439493601.db2.gz ZQYVFNMXKUXZSD-INIZCTEOSA-N 1 1 344.415 0.529 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NC[C@]1(O)C[C@H](OCC)C1(C)C ZINC000491811489 439456424 /nfs/dbraw/zinc/45/64/24/439456424.db2.gz LVBCSCBCBUOTJI-WMLDXEAASA-N 1 1 325.453 0.807 20 30 ECEDMO CCC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@H]1CC(=O)N(C)C1=O ZINC000599402375 439458003 /nfs/dbraw/zinc/45/80/03/439458003.db2.gz PAPBSFWLNNQFLD-GJZGRUSLSA-N 1 1 345.399 0.767 20 30 ECEDMO Cc1nccnc1N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599398071 439458945 /nfs/dbraw/zinc/45/89/45/439458945.db2.gz SJOJDXADVHBZPT-MRXNPFEDSA-N 1 1 345.447 0.978 20 30 ECEDMO C[C@@H](CNC(=O)NC1CCN(CC#N)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594221082 439527885 /nfs/dbraw/zinc/52/78/85/439527885.db2.gz KZNFHWUANUBZPX-SOUVJXGZSA-N 1 1 337.468 0.771 20 30 ECEDMO C[C@@H](CNC(=O)NC1CCN(CC#N)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594221082 439527889 /nfs/dbraw/zinc/52/78/89/439527889.db2.gz KZNFHWUANUBZPX-SOUVJXGZSA-N 1 1 337.468 0.771 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000599691877 439538160 /nfs/dbraw/zinc/53/81/60/439538160.db2.gz HLXVQUIIBSNDJE-OLZOCXBDSA-N 1 1 330.454 0.008 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000599691877 439538162 /nfs/dbraw/zinc/53/81/62/439538162.db2.gz HLXVQUIIBSNDJE-OLZOCXBDSA-N 1 1 330.454 0.008 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cnc1C(F)(F)F ZINC000594388149 439552216 /nfs/dbraw/zinc/55/22/16/439552216.db2.gz ZKERJPUPAIZCOW-NWDGAFQWSA-N 1 1 340.305 0.863 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000531618446 439512473 /nfs/dbraw/zinc/51/24/73/439512473.db2.gz PJKOJDLUHAWZIF-UHFFFAOYSA-N 1 1 328.416 0.723 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCN1CCCC1=O ZINC000532312250 439516794 /nfs/dbraw/zinc/51/67/94/439516794.db2.gz ZRBUKFBDKKDPPK-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCN1CCCC1=O ZINC000532312250 439516800 /nfs/dbraw/zinc/51/68/00/439516800.db2.gz ZRBUKFBDKKDPPK-AWEZNQCLSA-N 1 1 328.420 0.871 20 30 ECEDMO COc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)c(F)cc1C#N ZINC000599947495 439582364 /nfs/dbraw/zinc/58/23/64/439582364.db2.gz YHTRDUXFGCONIP-SNVBAGLBSA-N 1 1 334.351 0.712 20 30 ECEDMO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000600100136 439613465 /nfs/dbraw/zinc/61/34/65/439613465.db2.gz UDRBVPFPKWWXBT-NSHDSACASA-N 1 1 336.779 0.333 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000585714538 439645023 /nfs/dbraw/zinc/64/50/23/439645023.db2.gz ICJWKEGDZVRPTM-ZENOOKHLSA-N 1 1 344.415 0.571 20 30 ECEDMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000585714538 439645027 /nfs/dbraw/zinc/64/50/27/439645027.db2.gz ICJWKEGDZVRPTM-ZENOOKHLSA-N 1 1 344.415 0.571 20 30 ECEDMO CN(C(=O)C[N@@H+]1CC[C@](O)(Cn2ccnn2)C1)C1(C#N)CCCCC1 ZINC000585803752 439654392 /nfs/dbraw/zinc/65/43/92/439654392.db2.gz ZFQWUXDELFCOCK-QGZVFWFLSA-N 1 1 346.435 0.400 20 30 ECEDMO CN(C(=O)C[N@H+]1CC[C@](O)(Cn2ccnn2)C1)C1(C#N)CCCCC1 ZINC000585803752 439654397 /nfs/dbraw/zinc/65/43/97/439654397.db2.gz ZFQWUXDELFCOCK-QGZVFWFLSA-N 1 1 346.435 0.400 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC1 ZINC000595157259 439664713 /nfs/dbraw/zinc/66/47/13/439664713.db2.gz XMZJFKOADCZALT-QGZVFWFLSA-N 1 1 336.436 0.054 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000586863796 439664769 /nfs/dbraw/zinc/66/47/69/439664769.db2.gz ASSOUSPDHIRKLN-ABAIWWIYSA-N 1 1 348.378 0.149 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000586863796 439664772 /nfs/dbraw/zinc/66/47/72/439664772.db2.gz ASSOUSPDHIRKLN-ABAIWWIYSA-N 1 1 348.378 0.149 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000612408839 439701116 /nfs/dbraw/zinc/70/11/16/439701116.db2.gz SQSPAYKXHIGDPB-HNNXBMFYSA-N 1 1 338.452 0.080 20 30 ECEDMO C[C@](O)(C[C@@H](O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)C1CC1 ZINC000600845378 439710062 /nfs/dbraw/zinc/71/00/62/439710062.db2.gz DXDUPSZSEPBTLO-AEFFLSMTSA-N 1 1 330.432 0.987 20 30 ECEDMO C[C@]1(C#N)CCCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000612121857 439677158 /nfs/dbraw/zinc/67/71/58/439677158.db2.gz QPLYCHBDEXUCGB-RHSMWYFYSA-N 1 1 335.452 0.909 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000611349072 439692991 /nfs/dbraw/zinc/69/29/91/439692991.db2.gz VFKVQLWLMMKIIH-ROUUACIJSA-N 1 1 345.443 0.899 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN([C@H]3CCOC3)CC2)cc1 ZINC000611349072 439692994 /nfs/dbraw/zinc/69/29/94/439692994.db2.gz VFKVQLWLMMKIIH-ROUUACIJSA-N 1 1 345.443 0.899 20 30 ECEDMO CN1CCN(c2cc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)ccn2)CC1 ZINC000600715175 439694532 /nfs/dbraw/zinc/69/45/32/439694532.db2.gz GHEXCTFQHRZFPN-INIZCTEOSA-N 1 1 329.448 0.978 20 30 ECEDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600719090 439694913 /nfs/dbraw/zinc/69/49/13/439694913.db2.gz BOAFWTKFLJGJCQ-WBVHZDCISA-N 1 1 332.448 0.523 20 30 ECEDMO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccnc(C#N)c1 ZINC000613022956 439749036 /nfs/dbraw/zinc/74/90/36/439749036.db2.gz FPUPDMZFPOFGFL-HNNXBMFYSA-N 1 1 331.420 0.935 20 30 ECEDMO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ccnc(C#N)c1 ZINC000613022956 439749037 /nfs/dbraw/zinc/74/90/37/439749037.db2.gz FPUPDMZFPOFGFL-HNNXBMFYSA-N 1 1 331.420 0.935 20 30 ECEDMO Cc1nn(C)c(N2CCN(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000595459389 439729745 /nfs/dbraw/zinc/72/97/45/439729745.db2.gz ZEWVHPUQVUDMFZ-GASCZTMLSA-N 1 1 346.479 0.831 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000595497934 439735246 /nfs/dbraw/zinc/73/52/46/439735246.db2.gz CSRMIDOMFMIYEW-CQSZACIVSA-N 1 1 335.408 0.225 20 30 ECEDMO C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000636677926 439989916 /nfs/dbraw/zinc/98/99/16/439989916.db2.gz NTANNXVQNWGDAZ-CQSZACIVSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000618462336 440122755 /nfs/dbraw/zinc/12/27/55/440122755.db2.gz DCZZSUPUQFTGJD-CQSZACIVSA-N 1 1 337.445 0.975 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000618462336 440122762 /nfs/dbraw/zinc/12/27/62/440122762.db2.gz DCZZSUPUQFTGJD-CQSZACIVSA-N 1 1 337.445 0.975 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000665538214 440486331 /nfs/dbraw/zinc/48/63/31/440486331.db2.gz GVVGSSALXGAZEZ-CVEARBPZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000665538216 440487636 /nfs/dbraw/zinc/48/76/36/440487636.db2.gz GVVGSSALXGAZEZ-HZPDHXFCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1=O ZINC000628966846 440592443 /nfs/dbraw/zinc/59/24/43/440592443.db2.gz XYGLVDJRAQUSGU-ZDUSSCGKSA-N 1 1 348.403 0.096 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656080386 440715972 /nfs/dbraw/zinc/71/59/72/440715972.db2.gz VEPJLHJXIHQLFM-LSDHHAIUSA-N 1 1 347.415 0.114 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000645243427 440767788 /nfs/dbraw/zinc/76/77/88/440767788.db2.gz KLSWBQRCETTZEN-HUUCEWRRSA-N 1 1 338.452 0.003 20 30 ECEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000661379448 440845302 /nfs/dbraw/zinc/84/53/02/440845302.db2.gz BYDGAWQLHUZBFA-NWDGAFQWSA-N 1 1 334.420 0.526 20 30 ECEDMO C=CC[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)[C@@H](C)COC ZINC000661243631 440818818 /nfs/dbraw/zinc/81/88/18/440818818.db2.gz LGPUYBCWZFZCTM-HNNXBMFYSA-N 1 1 327.469 0.736 20 30 ECEDMO C=CC[N@@H+](CC(=O)NCC(C)(C)N1CCOCC1)[C@@H](C)COC ZINC000661243631 440818820 /nfs/dbraw/zinc/81/88/20/440818820.db2.gz LGPUYBCWZFZCTM-HNNXBMFYSA-N 1 1 327.469 0.736 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)C[C@@H](OC)C2CCOCC2)CC1 ZINC000645522042 440826560 /nfs/dbraw/zinc/82/65/60/440826560.db2.gz FQEAXMPSVIGXNA-MRXNPFEDSA-N 1 1 346.493 0.998 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001041736236 782085901 /nfs/dbraw/zinc/08/59/01/782085901.db2.gz NCQQCVOGXCDISQ-IEZWGBDMSA-N 1 1 349.475 0.980 20 30 ECEDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000548369075 322156454 /nfs/dbraw/zinc/15/64/54/322156454.db2.gz CZVDOIVNABDIQL-GFCCVEGCSA-N 1 1 327.381 0.696 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000548369075 322156456 /nfs/dbraw/zinc/15/64/56/322156456.db2.gz CZVDOIVNABDIQL-GFCCVEGCSA-N 1 1 327.381 0.696 20 30 ECEDMO C[C@@H](C(=O)N1CCN(c2cnccc2C#N)CC1)N1CC[NH+](C)CC1 ZINC000557746039 322209734 /nfs/dbraw/zinc/20/97/34/322209734.db2.gz ONYVRNCVIUMXJI-HNNXBMFYSA-N 1 1 342.447 0.238 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC(=O)N2CCCCC2)nc1 ZINC000564565403 322380337 /nfs/dbraw/zinc/38/03/37/322380337.db2.gz XXMWKVGTBWLSMT-UHFFFAOYSA-N 1 1 336.417 0.329 20 30 ECEDMO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)CN1CCN(C)CC1 ZINC000567691034 322593250 /nfs/dbraw/zinc/59/32/50/322593250.db2.gz NRHSHWIOOIURJH-WMZOPIPTSA-N 1 1 346.475 0.771 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001041743805 782104293 /nfs/dbraw/zinc/10/42/93/782104293.db2.gz OHESRZRTOZBASS-KRWDZBQOSA-N 1 1 334.420 0.429 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)[N@H+](C)C1 ZINC000329045406 546012225 /nfs/dbraw/zinc/01/22/25/546012225.db2.gz USKNTIAIIDFLAR-AVGNSLFASA-N 1 1 335.408 0.509 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)[N@@H+](C)C1 ZINC000329045406 546012229 /nfs/dbraw/zinc/01/22/29/546012229.db2.gz USKNTIAIIDFLAR-AVGNSLFASA-N 1 1 335.408 0.509 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1cnc2sccc2c1=O ZINC000329390702 546023070 /nfs/dbraw/zinc/02/30/70/546023070.db2.gz VATBKTPWDMOTCY-LLVKDONJSA-N 1 1 335.433 0.660 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1C ZINC000619710803 546360804 /nfs/dbraw/zinc/36/08/04/546360804.db2.gz WCFBBMSVWBVFOZ-IHRRRGAJSA-N 1 1 330.454 0.260 20 30 ECEDMO CC(C)(C)[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(N)=O ZINC000625221093 547044051 /nfs/dbraw/zinc/04/40/51/547044051.db2.gz AZFRKIZIRCDHLJ-UHFFFAOYSA-N 1 1 327.384 0.872 20 30 ECEDMO CC(C)(C)[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(N)=O ZINC000625221093 547044055 /nfs/dbraw/zinc/04/40/55/547044055.db2.gz AZFRKIZIRCDHLJ-UHFFFAOYSA-N 1 1 327.384 0.872 20 30 ECEDMO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@]1(CO)CCOC1 ZINC000625318092 547069017 /nfs/dbraw/zinc/06/90/17/547069017.db2.gz HHYAROIZABZIHB-SFHVURJKSA-N 1 1 328.368 0.369 20 30 ECEDMO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@]1(CO)CCOC1 ZINC000625318092 547069021 /nfs/dbraw/zinc/06/90/21/547069021.db2.gz HHYAROIZABZIHB-SFHVURJKSA-N 1 1 328.368 0.369 20 30 ECEDMO NC(=O)C[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000625431165 547099316 /nfs/dbraw/zinc/09/93/16/547099316.db2.gz AQHRLWVWCFUGDV-CYBMUJFWSA-N 1 1 325.368 0.483 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668638936 547709306 /nfs/dbraw/zinc/70/93/06/547709306.db2.gz DCQQLZXKKRXOMX-WBVHZDCISA-N 1 1 336.480 0.742 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668638936 547709308 /nfs/dbraw/zinc/70/93/08/547709308.db2.gz DCQQLZXKKRXOMX-WBVHZDCISA-N 1 1 336.480 0.742 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000668803160 547754474 /nfs/dbraw/zinc/75/44/74/547754474.db2.gz IGCOAGXNMXIVOH-SJORKVTESA-N 1 1 336.480 0.696 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000668836371 547762710 /nfs/dbraw/zinc/76/27/10/547762710.db2.gz XOWVDUBIDDPKCK-HNNXBMFYSA-N 1 1 336.480 0.742 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672305368 548302059 /nfs/dbraw/zinc/30/20/59/548302059.db2.gz MEQXBGIRKZSTIQ-XHSDSOJGSA-N 1 1 335.448 0.684 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2Cc3ccccc3C2=O)C1 ZINC001078029085 782172470 /nfs/dbraw/zinc/17/24/70/782172470.db2.gz JTAGEFBCANKZNC-HZPDHXFCSA-N 1 1 329.400 0.380 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C[N@H+]1C1CC1 ZINC000753705261 579404533 /nfs/dbraw/zinc/40/45/33/579404533.db2.gz JNIHKOPDCGMAFH-BNSXNURWSA-N 1 1 332.404 0.644 20 30 ECEDMO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000755492075 579434038 /nfs/dbraw/zinc/43/40/38/579434038.db2.gz HOCMHPPCBOMNCH-CYBMUJFWSA-N 1 1 329.360 0.567 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000728860085 578291452 /nfs/dbraw/zinc/29/14/52/578291452.db2.gz JRCDMXWLTBLPJP-UHFFFAOYSA-N 1 1 340.427 0.689 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000730105107 578303390 /nfs/dbraw/zinc/30/33/90/578303390.db2.gz BOYZYVGBNPSJHJ-ZFWWWQNUSA-N 1 1 346.383 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000730105107 578303391 /nfs/dbraw/zinc/30/33/91/578303391.db2.gz BOYZYVGBNPSJHJ-ZFWWWQNUSA-N 1 1 346.383 0.369 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)[C@H]1CCCO1 ZINC000793902708 578565514 /nfs/dbraw/zinc/56/55/14/578565514.db2.gz RYIGUPIKIFHZJZ-XUWVNRHRSA-N 1 1 335.448 0.520 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000799071130 578656909 /nfs/dbraw/zinc/65/69/09/578656909.db2.gz ZCGJWFFTOVPKFP-ROUUACIJSA-N 1 1 329.444 0.866 20 30 ECEDMO C#CCC[C@@H](O)CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000799083948 578657666 /nfs/dbraw/zinc/65/76/66/578657666.db2.gz QHDUJYUXSSTLNA-GOSISDBHSA-N 1 1 329.444 0.938 20 30 ECEDMO CC(=NNCCC[NH+]1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000799486486 578666100 /nfs/dbraw/zinc/66/61/00/578666100.db2.gz CUTQHEZNTSGYMN-UHFFFAOYSA-N 1 1 340.449 0.370 20 30 ECEDMO N#Cc1ccc([C@@H](O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000780855467 578701328 /nfs/dbraw/zinc/70/13/28/578701328.db2.gz KZNPZLYLKLBXRA-IAGOWNOFSA-N 1 1 329.400 0.915 20 30 ECEDMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cn1 ZINC000786442066 578787243 /nfs/dbraw/zinc/78/72/43/578787243.db2.gz QXXHFFLNXWHEGC-INIZCTEOSA-N 1 1 342.334 0.978 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCCO1 ZINC000787913531 578820708 /nfs/dbraw/zinc/82/07/08/578820708.db2.gz VIRJMEKSJUHLKI-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000789355467 578852597 /nfs/dbraw/zinc/85/25/97/578852597.db2.gz DYMDJQVAHMMSFP-OAHLLOKOSA-N 1 1 329.466 0.013 20 30 ECEDMO C#CCCC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000766894502 579095953 /nfs/dbraw/zinc/09/59/53/579095953.db2.gz CTXGNPWFTZOPKX-GASCZTMLSA-N 1 1 329.466 0.371 20 30 ECEDMO C[C@H](NC(=O)NCCNc1ncccc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000770120600 579160234 /nfs/dbraw/zinc/16/02/34/579160234.db2.gz AUIJHCGXMMDCDR-GXTWGEPZSA-N 1 1 332.408 0.383 20 30 ECEDMO C[C@H](NC(=O)NCCNc1ncccc1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000770120600 579160235 /nfs/dbraw/zinc/16/02/35/579160235.db2.gz AUIJHCGXMMDCDR-GXTWGEPZSA-N 1 1 332.408 0.383 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1C ZINC000773352436 579225685 /nfs/dbraw/zinc/22/56/85/579225685.db2.gz JDPQOCZVGDZJJB-HNNXBMFYSA-N 1 1 335.429 0.356 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1C ZINC000773352436 579225687 /nfs/dbraw/zinc/22/56/87/579225687.db2.gz JDPQOCZVGDZJJB-HNNXBMFYSA-N 1 1 335.429 0.356 20 30 ECEDMO CC(C)(CN[NH+]=Cc1cnc(N2CCOCC2)s1)S(C)(=O)=O ZINC000774482748 579248709 /nfs/dbraw/zinc/24/87/09/579248709.db2.gz MNNDPKPKSUQMLT-UHFFFAOYSA-N 1 1 346.478 0.726 20 30 ECEDMO C#C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@@H]1CCCO1 ZINC000775792281 579271342 /nfs/dbraw/zinc/27/13/42/579271342.db2.gz ZPJXNVBPTVMDBL-ULQDDVLXSA-N 1 1 332.448 0.449 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000776594424 579285568 /nfs/dbraw/zinc/28/55/68/579285568.db2.gz FZJCNTCLIRLWMA-UHFFFAOYSA-N 1 1 349.456 0.670 20 30 ECEDMO C[NH+]1CCN(c2ncc(C=[NH+][N-]c3cc(Cl)nc(N)n3)cn2)CC1 ZINC000778548610 579309726 /nfs/dbraw/zinc/30/97/26/579309726.db2.gz GJPJGLCKMZEEEW-UHFFFAOYSA-N 1 1 347.814 0.700 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000763456765 579560565 /nfs/dbraw/zinc/56/05/65/579560565.db2.gz YQHBAMUOQBUOBG-GJZGRUSLSA-N 1 1 331.372 0.629 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000763456765 579560566 /nfs/dbraw/zinc/56/05/66/579560566.db2.gz YQHBAMUOQBUOBG-GJZGRUSLSA-N 1 1 331.372 0.629 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000764026008 579569616 /nfs/dbraw/zinc/56/96/16/579569616.db2.gz SUBSBGVVHFCAGW-AWEZNQCLSA-N 1 1 329.404 0.231 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000764026008 579569617 /nfs/dbraw/zinc/56/96/17/579569617.db2.gz SUBSBGVVHFCAGW-AWEZNQCLSA-N 1 1 329.404 0.231 20 30 ECEDMO C=CC[N@@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)C(C)C ZINC000744389190 579808957 /nfs/dbraw/zinc/80/89/57/579808957.db2.gz NMUATAZWOMBYGO-UHFFFAOYSA-N 1 1 336.436 0.864 20 30 ECEDMO C=CC[N@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)C(C)C ZINC000744389190 579808958 /nfs/dbraw/zinc/80/89/58/579808958.db2.gz NMUATAZWOMBYGO-UHFFFAOYSA-N 1 1 336.436 0.864 20 30 ECEDMO CN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000746249571 579834263 /nfs/dbraw/zinc/83/42/63/579834263.db2.gz JQHQONCSPQZDQM-CMTMBAJVSA-N 1 1 332.404 0.598 20 30 ECEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000746288247 579835407 /nfs/dbraw/zinc/83/54/07/579835407.db2.gz VIBVPPLIVAWRQO-PHODEOQFSA-N 1 1 334.420 0.702 20 30 ECEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC[C@@H]21 ZINC000746447454 579839414 /nfs/dbraw/zinc/83/94/14/579839414.db2.gz ZDECPTXHHXWTNR-OCCSQVGLSA-N 1 1 330.392 0.288 20 30 ECEDMO C#CCO[C@H](C)C(=O)OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000837847719 588963045 /nfs/dbraw/zinc/96/30/45/588963045.db2.gz KGLNRNTZPKLLKO-HUUCEWRRSA-N 1 1 340.420 0.041 20 30 ECEDMO C#CC[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C(=O)OC ZINC000837944858 588966762 /nfs/dbraw/zinc/96/67/62/588966762.db2.gz FWOFFHZDLWUQOR-DLBZAZTESA-N 1 1 344.411 0.866 20 30 ECEDMO C#CC1(O)CN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000890527374 586052364 /nfs/dbraw/zinc/05/23/64/586052364.db2.gz RLDWIESRPKIMTJ-HOTGVXAUSA-N 1 1 330.432 0.441 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000842696052 589032896 /nfs/dbraw/zinc/03/28/96/589032896.db2.gz KDUMXVMBWDYHDA-UHFFFAOYSA-N 1 1 336.410 0.164 20 30 ECEDMO C#CCSCC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000895608227 586191883 /nfs/dbraw/zinc/19/18/83/586191883.db2.gz ZROIJFKUMPUDPB-UHFFFAOYSA-N 1 1 333.461 0.471 20 30 ECEDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000892818111 586293733 /nfs/dbraw/zinc/29/37/33/586293733.db2.gz IREDHGGHTVIHOG-HOCLYGCPSA-N 1 1 349.431 0.897 20 30 ECEDMO C#CC1(O)CN(C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000893168131 586314457 /nfs/dbraw/zinc/31/44/57/586314457.db2.gz KXQPEBWMRFZDLY-DOTOQJQBSA-N 1 1 343.427 0.665 20 30 ECEDMO C#CC1(O)CN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000893168131 586314460 /nfs/dbraw/zinc/31/44/60/586314460.db2.gz KXQPEBWMRFZDLY-DOTOQJQBSA-N 1 1 343.427 0.665 20 30 ECEDMO N#Cc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)nc1 ZINC000894320048 586386733 /nfs/dbraw/zinc/38/67/33/586386733.db2.gz CBUBOGWAWMLACL-JKSUJKDBSA-N 1 1 329.404 0.694 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@H+](C)C1 ZINC000840505447 586390190 /nfs/dbraw/zinc/39/01/90/586390190.db2.gz WXIIPYHGAWXDFR-AWEZNQCLSA-N 1 1 344.367 0.330 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@@H+](C)C1 ZINC000840505447 586390191 /nfs/dbraw/zinc/39/01/91/586390191.db2.gz WXIIPYHGAWXDFR-AWEZNQCLSA-N 1 1 344.367 0.330 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000843250285 589056263 /nfs/dbraw/zinc/05/62/63/589056263.db2.gz FXOFLNIWEBGHMG-HZPDHXFCSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000843250285 589056265 /nfs/dbraw/zinc/05/62/65/589056265.db2.gz FXOFLNIWEBGHMG-HZPDHXFCSA-N 1 1 349.475 0.552 20 30 ECEDMO C=CCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1)C(C)C ZINC000843243749 589055073 /nfs/dbraw/zinc/05/50/73/589055073.db2.gz GDADTIRMVUECJP-GASCZTMLSA-N 1 1 325.453 0.977 20 30 ECEDMO C=CCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1)C(C)C ZINC000843243749 589055074 /nfs/dbraw/zinc/05/50/74/589055074.db2.gz GDADTIRMVUECJP-GASCZTMLSA-N 1 1 325.453 0.977 20 30 ECEDMO O=C(c1cccc(C#CCO)c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000899969039 586515638 /nfs/dbraw/zinc/51/56/38/586515638.db2.gz JLYDZJRLWZIZFJ-SFHVURJKSA-N 1 1 328.412 0.967 20 30 ECEDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000900044156 586520630 /nfs/dbraw/zinc/52/06/30/586520630.db2.gz FQNXZEQKSJOJKC-GOSISDBHSA-N 1 1 343.431 0.449 20 30 ECEDMO C=C(CC[NH+](C)C)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000900065804 586522248 /nfs/dbraw/zinc/52/22/48/586522248.db2.gz LVLXVTQLCUMZMV-UHFFFAOYSA-N 1 1 331.464 0.958 20 30 ECEDMO N#Cc1c2c(cn(CN3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)c1=O)CCC2 ZINC000902643074 586749589 /nfs/dbraw/zinc/74/95/89/586749589.db2.gz KFJBLYGBEFKVPB-ZWKOTPCHSA-N 1 1 342.443 0.697 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000735590004 586764292 /nfs/dbraw/zinc/76/42/92/586764292.db2.gz NQCHBRKDWJLJIB-UHFFFAOYSA-N 1 1 334.376 0.222 20 30 ECEDMO N#Cc1ccc(N2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cn1 ZINC000903781893 586814811 /nfs/dbraw/zinc/81/48/11/586814811.db2.gz WVSAVSGLSDBKQD-ZWKOTPCHSA-N 1 1 327.432 0.844 20 30 ECEDMO OCc1csc(C=NNC(=S)NCCC[NH+]2CCOCC2)n1 ZINC000905419985 586891791 /nfs/dbraw/zinc/89/17/91/586891791.db2.gz CGKAUFFGIMMECL-UHFFFAOYSA-N 1 1 343.478 0.156 20 30 ECEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905910321 586925278 /nfs/dbraw/zinc/92/52/78/586925278.db2.gz ASIUVHNEYRFPEK-IEBWSBKVSA-N 1 1 345.443 0.973 20 30 ECEDMO CC#CC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000801150397 586983039 /nfs/dbraw/zinc/98/30/39/586983039.db2.gz SGJATCYUMGJUPF-UHFFFAOYSA-N 1 1 328.416 0.859 20 30 ECEDMO C=CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C ZINC000806209495 587091173 /nfs/dbraw/zinc/09/11/73/587091173.db2.gz CLAUCSBSGOYBIC-OAHLLOKOSA-N 1 1 336.480 0.694 20 30 ECEDMO C=CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000806209495 587091175 /nfs/dbraw/zinc/09/11/75/587091175.db2.gz CLAUCSBSGOYBIC-OAHLLOKOSA-N 1 1 336.480 0.694 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCNc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000806412024 587095425 /nfs/dbraw/zinc/09/54/25/587095425.db2.gz JBOYFPDDVUFUPI-KBPBESRZSA-N 1 1 346.435 0.462 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000808159710 587146426 /nfs/dbraw/zinc/14/64/26/587146426.db2.gz JDWMGQUMVYZZHC-HUUCEWRRSA-N 1 1 328.368 0.434 20 30 ECEDMO C#C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)(C)C ZINC000808282116 587151964 /nfs/dbraw/zinc/15/19/64/587151964.db2.gz WQAAJWKEXWNEMR-JKSUJKDBSA-N 1 1 336.480 0.740 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)[C@H]1CCCO1 ZINC000809313132 587175119 /nfs/dbraw/zinc/17/51/19/587175119.db2.gz QXAZIOKMQLILTD-LVQVYYBASA-N 1 1 335.448 0.615 20 30 ECEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC000810366845 587193663 /nfs/dbraw/zinc/19/36/63/587193663.db2.gz QCAXSRBLAANDOW-ZIAGYGMSSA-N 1 1 346.362 0.615 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000811641916 587222790 /nfs/dbraw/zinc/22/27/90/587222790.db2.gz BFMILXSBTJLKNZ-GFCCVEGCSA-N 1 1 333.461 0.847 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000811641916 587222791 /nfs/dbraw/zinc/22/27/91/587222791.db2.gz BFMILXSBTJLKNZ-GFCCVEGCSA-N 1 1 333.461 0.847 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ncc(C#N)cc2C)CC1 ZINC000815339675 587288804 /nfs/dbraw/zinc/28/88/04/587288804.db2.gz WOCYXMZDQBVNOH-ZDUSSCGKSA-N 1 1 330.388 0.971 20 30 ECEDMO CN1CCN(Cc2cccc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)c2)CC1 ZINC000844194934 589102266 /nfs/dbraw/zinc/10/22/66/589102266.db2.gz OFSNRURGRGPHAL-DLBZAZTESA-N 1 1 327.432 0.275 20 30 ECEDMO C=CCC(F)(F)C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000820852281 587560129 /nfs/dbraw/zinc/56/01/29/587560129.db2.gz HOVJPYFRUCLEGU-LBPRGKRZSA-N 1 1 333.379 0.493 20 30 ECEDMO C#C[C@@H](NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1CCOCC1 ZINC000823158162 587706469 /nfs/dbraw/zinc/70/64/69/587706469.db2.gz COUQTRKBZIUFHQ-IAGOWNOFSA-N 1 1 335.448 0.655 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)C1CCOCC1 ZINC000823159311 587706513 /nfs/dbraw/zinc/70/65/13/587706513.db2.gz QMRWNMNSYNBWBR-CABCVRRESA-N 1 1 337.420 0.161 20 30 ECEDMO C#C[C@@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CCOCC1 ZINC000823182417 587708219 /nfs/dbraw/zinc/70/82/19/587708219.db2.gz UAEMRARRYASAQD-ZWKOTPCHSA-N 1 1 348.491 0.836 20 30 ECEDMO N#CCCN1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826381864 588037047 /nfs/dbraw/zinc/03/70/47/588037047.db2.gz BXTQVBJQPTVUDR-UHFFFAOYSA-N 1 1 327.392 0.777 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000829529487 588328546 /nfs/dbraw/zinc/32/85/46/588328546.db2.gz HNHRZHWMYDFCNQ-OAHLLOKOSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000829810841 588342860 /nfs/dbraw/zinc/34/28/60/588342860.db2.gz UQEOVISQJKHYCU-MRXNPFEDSA-N 1 1 327.432 0.861 20 30 ECEDMO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829987766 588352297 /nfs/dbraw/zinc/35/22/97/588352297.db2.gz IDVKNRMZOXNDDM-BMQCOBNYSA-N 1 1 339.417 0.317 20 30 ECEDMO CCOC(=O)CN(C)C(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371377 589109403 /nfs/dbraw/zinc/10/94/03/589109403.db2.gz YDZMXGAWCDKITR-OAHLLOKOSA-N 1 1 333.388 0.545 20 30 ECEDMO CCOC(=O)CN(C)C(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371377 589109405 /nfs/dbraw/zinc/10/94/05/589109405.db2.gz YDZMXGAWCDKITR-OAHLLOKOSA-N 1 1 333.388 0.545 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847641657 589260502 /nfs/dbraw/zinc/26/05/02/589260502.db2.gz ZJXQTMZFDBALHL-HNNXBMFYSA-N 1 1 342.461 0.689 20 30 ECEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000852211335 589451120 /nfs/dbraw/zinc/45/11/20/589451120.db2.gz RRNTULJQOOEZLX-IEBWSBKVSA-N 1 1 339.395 0.897 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](N3CCOC3=O)C2)cc1 ZINC000852434211 589496164 /nfs/dbraw/zinc/49/61/64/589496164.db2.gz LLISXADBLKEYGG-LSDHHAIUSA-N 1 1 331.372 0.824 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC000890361262 589637685 /nfs/dbraw/zinc/63/76/85/589637685.db2.gz MWMCFOFEMRICAZ-VHSXEESVSA-N 1 1 343.296 0.942 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC000890361262 589637687 /nfs/dbraw/zinc/63/76/87/589637687.db2.gz MWMCFOFEMRICAZ-VHSXEESVSA-N 1 1 343.296 0.942 20 30 ECEDMO C[C@H](C#N)Oc1ccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1 ZINC000858311669 589740906 /nfs/dbraw/zinc/74/09/06/589740906.db2.gz KULUXCJBRCAYOG-GFCCVEGCSA-N 1 1 338.433 0.558 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000859323438 589821744 /nfs/dbraw/zinc/82/17/44/589821744.db2.gz DCIDFTWZRIUIRZ-QGZVFWFLSA-N 1 1 334.322 0.988 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000859323438 589821747 /nfs/dbraw/zinc/82/17/47/589821747.db2.gz DCIDFTWZRIUIRZ-QGZVFWFLSA-N 1 1 334.322 0.988 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)CC1 ZINC000859586126 589852287 /nfs/dbraw/zinc/85/22/87/589852287.db2.gz HEWOJJMIKPFBOE-HXUWFJFHSA-N 1 1 341.455 0.747 20 30 ECEDMO C#CCOc1ccc(C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1 ZINC000862503902 589942452 /nfs/dbraw/zinc/94/24/52/589942452.db2.gz KFBAZHLSDRCXPR-UHFFFAOYSA-N 1 1 343.427 0.869 20 30 ECEDMO C#CC[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000862566861 589943539 /nfs/dbraw/zinc/94/35/39/589943539.db2.gz VHZITXITBLULLE-IAGOWNOFSA-N 1 1 347.459 0.572 20 30 ECEDMO Cc1nn(C[C@@H](O)C[N@H+](C)CCC#N)c(C)c1[C@H]1COCCN1C ZINC000871986702 590095831 /nfs/dbraw/zinc/09/58/31/590095831.db2.gz PAWUAYPOUBYYFH-JKSUJKDBSA-N 1 1 335.452 0.709 20 30 ECEDMO Cc1nn(C[C@@H](O)C[N@@H+](C)CCC#N)c(C)c1[C@H]1COCCN1C ZINC000871986702 590095834 /nfs/dbraw/zinc/09/58/34/590095834.db2.gz PAWUAYPOUBYYFH-JKSUJKDBSA-N 1 1 335.452 0.709 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000875121642 590272878 /nfs/dbraw/zinc/27/28/78/590272878.db2.gz CINPWMLTWOALRO-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000875456360 590303233 /nfs/dbraw/zinc/30/32/33/590303233.db2.gz CWZGGSGSSYFIHN-GJZGRUSLSA-N 1 1 335.448 0.664 20 30 ECEDMO N#Cc1cc(F)ccc1N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000879588365 590326401 /nfs/dbraw/zinc/32/64/01/590326401.db2.gz FAWTWHFJOHGLLS-UHFFFAOYSA-N 1 1 326.397 0.498 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000875916222 590346250 /nfs/dbraw/zinc/34/62/50/590346250.db2.gz DCMOCBKOKIUACA-HUUCEWRRSA-N 1 1 325.453 0.901 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000875923590 590346714 /nfs/dbraw/zinc/34/67/14/590346714.db2.gz JEAVKMDSMJZBKS-PKOBYXMFSA-N 1 1 345.443 0.961 20 30 ECEDMO N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC000876280809 590370929 /nfs/dbraw/zinc/37/09/29/590370929.db2.gz NMFBFXVEQBBRAZ-YESZJQIVSA-N 1 1 326.400 0.486 20 30 ECEDMO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000880479997 590394998 /nfs/dbraw/zinc/39/49/98/590394998.db2.gz FSXOWGYVSSJTOZ-ZDUSSCGKSA-N 1 1 329.400 0.963 20 30 ECEDMO COC(=O)[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880563983 590405117 /nfs/dbraw/zinc/40/51/17/590405117.db2.gz YHXWVTKAJNNQJO-KSSFIOAISA-N 1 1 345.399 0.932 20 30 ECEDMO COC(=O)[C@]1(O)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000880563983 590405120 /nfs/dbraw/zinc/40/51/20/590405120.db2.gz YHXWVTKAJNNQJO-KSSFIOAISA-N 1 1 345.399 0.932 20 30 ECEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000876757755 590410087 /nfs/dbraw/zinc/41/00/87/590410087.db2.gz DUECWFYFKPMOQL-KRWDZBQOSA-N 1 1 332.448 0.749 20 30 ECEDMO N#Cc1ccc([C@H](O)Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)cc1 ZINC000881407605 590452674 /nfs/dbraw/zinc/45/26/74/590452674.db2.gz QYTZWMMCZQFWPZ-DLBZAZTESA-N 1 1 327.388 0.840 20 30 ECEDMO N#Cc1ccc([C@H](O)Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)cc1 ZINC000881407605 590452676 /nfs/dbraw/zinc/45/26/76/590452676.db2.gz QYTZWMMCZQFWPZ-DLBZAZTESA-N 1 1 327.388 0.840 20 30 ECEDMO C=CC[C@@H](C(=O)OC)[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000878726600 590538692 /nfs/dbraw/zinc/53/86/92/590538692.db2.gz RACQOSZJBPISQS-AWEZNQCLSA-N 1 1 325.409 0.610 20 30 ECEDMO C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@H](O)CC1(O)CCOCC1 ZINC000878800905 590543129 /nfs/dbraw/zinc/54/31/29/590543129.db2.gz IZSOSSSWFMNRTJ-IRXDYDNUSA-N 1 1 334.416 0.816 20 30 ECEDMO C#CCCCS(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882799661 590586127 /nfs/dbraw/zinc/58/61/27/590586127.db2.gz KDJXILUWHVSSDJ-MRXNPFEDSA-N 1 1 343.493 0.116 20 30 ECEDMO C#CCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882799661 590586129 /nfs/dbraw/zinc/58/61/29/590586129.db2.gz KDJXILUWHVSSDJ-MRXNPFEDSA-N 1 1 343.493 0.116 20 30 ECEDMO C#C[C@H](CCC)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883601435 590628905 /nfs/dbraw/zinc/62/89/05/590628905.db2.gz XWTAQXFUQJBCHJ-IAGOWNOFSA-N 1 1 336.480 0.884 20 30 ECEDMO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885320377 590717094 /nfs/dbraw/zinc/71/70/94/590717094.db2.gz LFMYGVCRKPUYCY-IPYPFGDCSA-N 1 1 325.434 0.258 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885320377 590717095 /nfs/dbraw/zinc/71/70/95/590717095.db2.gz LFMYGVCRKPUYCY-IPYPFGDCSA-N 1 1 325.434 0.258 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000884057189 590723388 /nfs/dbraw/zinc/72/33/88/590723388.db2.gz YKRGUELZSPDBRX-HNNXBMFYSA-N 1 1 349.456 0.987 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000884057189 590723390 /nfs/dbraw/zinc/72/33/90/590723390.db2.gz YKRGUELZSPDBRX-HNNXBMFYSA-N 1 1 349.456 0.987 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000884115637 590744031 /nfs/dbraw/zinc/74/40/31/590744031.db2.gz YRXVDJNDUAAXRT-INIZCTEOSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000884115637 590744035 /nfs/dbraw/zinc/74/40/35/590744035.db2.gz YRXVDJNDUAAXRT-INIZCTEOSA-N 1 1 340.427 0.973 20 30 ECEDMO C=CCC1(O)CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000884199022 590771677 /nfs/dbraw/zinc/77/16/77/590771677.db2.gz NBEQFJRYUKBJKY-INIZCTEOSA-N 1 1 338.496 0.983 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2c(CC)nn(C)c2OC)C1 ZINC000884254987 590789428 /nfs/dbraw/zinc/78/94/28/590789428.db2.gz VZCNDNCUIGRNQZ-ZDUSSCGKSA-N 1 1 333.436 0.888 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2c(CC)nn(C)c2OC)C1 ZINC000884254987 590789429 /nfs/dbraw/zinc/78/94/29/590789429.db2.gz VZCNDNCUIGRNQZ-ZDUSSCGKSA-N 1 1 333.436 0.888 20 30 ECEDMO COCC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000886089920 590793880 /nfs/dbraw/zinc/79/38/80/590793880.db2.gz MNDWDZSDTRRZCJ-UONOGXRCSA-N 1 1 330.450 0.567 20 30 ECEDMO COCC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000886089920 590793882 /nfs/dbraw/zinc/79/38/82/590793882.db2.gz MNDWDZSDTRRZCJ-UONOGXRCSA-N 1 1 330.450 0.567 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000884306223 590800520 /nfs/dbraw/zinc/80/05/20/590800520.db2.gz YOUSCDANUKPPEN-HOTGVXAUSA-N 1 1 331.416 0.948 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000884306223 590800524 /nfs/dbraw/zinc/80/05/24/590800524.db2.gz YOUSCDANUKPPEN-HOTGVXAUSA-N 1 1 331.416 0.948 20 30 ECEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000886361313 590835588 /nfs/dbraw/zinc/83/55/88/590835588.db2.gz AXLSFBMXPGFAKE-HZPDHXFCSA-N 1 1 327.432 0.859 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCn2nc(C(=O)OC)cc21 ZINC000886588592 590861895 /nfs/dbraw/zinc/86/18/95/590861895.db2.gz VPMVSMQAOHHFTQ-NSHDSACASA-N 1 1 327.406 0.695 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCC2N=NC(=S)N2C2CC2)C1 ZINC000889336153 591050128 /nfs/dbraw/zinc/05/01/28/591050128.db2.gz ZNRJXOQVJOZVJT-LBPRGKRZSA-N 1 1 348.476 0.841 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC2N=NC(=S)N2C2CC2)C1 ZINC000889336153 591050133 /nfs/dbraw/zinc/05/01/33/591050133.db2.gz ZNRJXOQVJOZVJT-LBPRGKRZSA-N 1 1 348.476 0.841 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2Cc3ccccc3NC2=O)C1 ZINC000890361559 591150704 /nfs/dbraw/zinc/15/07/04/591150704.db2.gz UNCXXRGCSAVOKJ-GOEBONIOSA-N 1 1 326.400 0.947 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2Cc3ccccc3NC2=O)C1 ZINC000890361559 591150707 /nfs/dbraw/zinc/15/07/07/591150707.db2.gz UNCXXRGCSAVOKJ-GOEBONIOSA-N 1 1 326.400 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@]3(CC(C(=O)OC)=NO3)C2)C1 ZINC000890361516 591151138 /nfs/dbraw/zinc/15/11/38/591151138.db2.gz SPQALSZQIWBFDJ-DYVFJYSZSA-N 1 1 348.403 0.187 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@]3(CC(C(=O)OC)=NO3)C2)C1 ZINC000890361516 591151140 /nfs/dbraw/zinc/15/11/40/591151140.db2.gz SPQALSZQIWBFDJ-DYVFJYSZSA-N 1 1 348.403 0.187 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000890370804 591153582 /nfs/dbraw/zinc/15/35/82/591153582.db2.gz GKKLLZWXYYAGBV-MSOLQXFVSA-N 1 1 347.507 0.505 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](O)COc2ccccc2)C1 ZINC000890377033 591155690 /nfs/dbraw/zinc/15/56/90/591155690.db2.gz FVPZAUBURKPRDV-JKSUJKDBSA-N 1 1 331.416 0.823 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](O)COc2ccccc2)C1 ZINC000890377033 591155691 /nfs/dbraw/zinc/15/56/91/591155691.db2.gz FVPZAUBURKPRDV-JKSUJKDBSA-N 1 1 331.416 0.823 20 30 ECEDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000922534421 611353718 /nfs/dbraw/zinc/35/37/18/611353718.db2.gz WNDAQIUUUBGABT-UMVBOHGHSA-N 1 1 342.465 0.295 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@@H]2CCC[N@H+](CC(=O)NC)CC2)nn1 ZINC000948840921 611728330 /nfs/dbraw/zinc/72/83/30/611728330.db2.gz OOXOOVGUCXYNBQ-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933473551 611728352 /nfs/dbraw/zinc/72/83/52/611728352.db2.gz FCBDGKLFDPXVPF-LBPRGKRZSA-N 1 1 340.424 0.939 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933473551 611728353 /nfs/dbraw/zinc/72/83/53/611728353.db2.gz FCBDGKLFDPXVPF-LBPRGKRZSA-N 1 1 340.424 0.939 20 30 ECEDMO Cc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC000930514335 611438101 /nfs/dbraw/zinc/43/81/01/611438101.db2.gz AYGVDGCZZPVPBA-XJKSGUPXSA-N 1 1 344.415 0.318 20 30 ECEDMO Cc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000930514335 611438103 /nfs/dbraw/zinc/43/81/03/611438103.db2.gz AYGVDGCZZPVPBA-XJKSGUPXSA-N 1 1 344.415 0.318 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Nc1cccn(CC(=O)OCC)c1=O ZINC000930539519 611441698 /nfs/dbraw/zinc/44/16/98/611441698.db2.gz KFTRAEMBBUHFEN-UHFFFAOYSA-N 1 1 348.403 0.488 20 30 ECEDMO N#CC[C@]1(O)CC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000930818505 611467956 /nfs/dbraw/zinc/46/79/56/611467956.db2.gz IGARHOYOXUSYNI-SFHVURJKSA-N 1 1 343.383 0.650 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2CC1 ZINC000946787044 611476501 /nfs/dbraw/zinc/47/65/01/611476501.db2.gz XELDNPDHYUCLPX-JJTUDDRGSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC[C@@H]2C1 ZINC000946776416 611470444 /nfs/dbraw/zinc/47/04/44/611470444.db2.gz MYOSTMZSKFIHOL-XUWVNRHRSA-N 1 1 335.448 0.766 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000930991665 611494022 /nfs/dbraw/zinc/49/40/22/611494022.db2.gz FZSNPZJVRBYFKM-HNNXBMFYSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000930991665 611494026 /nfs/dbraw/zinc/49/40/26/611494026.db2.gz FZSNPZJVRBYFKM-HNNXBMFYSA-N 1 1 325.453 0.884 20 30 ECEDMO C[C@H](O)[C@H](O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000930993087 611494254 /nfs/dbraw/zinc/49/42/54/611494254.db2.gz GUAKSQSBFAQNJB-SUMWQHHRSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC1 ZINC000931146558 611511024 /nfs/dbraw/zinc/51/10/24/611511024.db2.gz GEPIYCNQEWXLKC-ZDUSSCGKSA-N 1 1 329.400 0.833 20 30 ECEDMO C#CC1(O)CC[NH+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1 ZINC000931145656 611511563 /nfs/dbraw/zinc/51/15/63/611511563.db2.gz DQBIFGZILOSEMR-CQSZACIVSA-N 1 1 344.411 0.938 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCC[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000948316627 611517860 /nfs/dbraw/zinc/51/78/60/611517860.db2.gz RUKRDUYNBBBALR-OAHLLOKOSA-N 1 1 331.420 0.901 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C[C@@H]1C ZINC000947479465 611553685 /nfs/dbraw/zinc/55/36/85/611553685.db2.gz NAIHWBRXGQMTJI-UONOGXRCSA-N 1 1 342.403 0.926 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000948416569 611582891 /nfs/dbraw/zinc/58/28/91/611582891.db2.gz IWRAFHDCGUUFSG-JKSUJKDBSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCCS2(=O)=O)CC1 ZINC000948424995 611587382 /nfs/dbraw/zinc/58/73/82/611587382.db2.gz MVLSETCVFCSIII-AWEZNQCLSA-N 1 1 329.466 0.521 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC#Cc1ccccc1 ZINC000947032309 611620344 /nfs/dbraw/zinc/62/03/44/611620344.db2.gz MSTOEBOEAGQYPN-DOTOQJQBSA-N 1 1 338.415 0.694 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)CCn3cccn3)CC2)C1 ZINC000949300737 608617422 /nfs/dbraw/zinc/61/74/22/608617422.db2.gz FNUDYSSNWAVDSP-UHFFFAOYSA-N 1 1 330.432 0.990 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)CCn3cccn3)CC2)C1 ZINC000949300737 608617426 /nfs/dbraw/zinc/61/74/26/608617426.db2.gz FNUDYSSNWAVDSP-UHFFFAOYSA-N 1 1 330.432 0.990 20 30 ECEDMO CC[N@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)NCC#CCO)C1 ZINC000923771535 608626952 /nfs/dbraw/zinc/62/69/52/608626952.db2.gz SVWRNARRADGPMZ-UHFFFAOYSA-N 1 1 339.436 0.476 20 30 ECEDMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)NCC#CCO)C1 ZINC000923771535 608626953 /nfs/dbraw/zinc/62/69/53/608626953.db2.gz SVWRNARRADGPMZ-UHFFFAOYSA-N 1 1 339.436 0.476 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCOC2(CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000949337850 608643432 /nfs/dbraw/zinc/64/34/32/608643432.db2.gz CMJRIYJWDQSJMO-CYBMUJFWSA-N 1 1 332.404 0.574 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3COCCN3C)CC2)C1 ZINC000949343844 608646340 /nfs/dbraw/zinc/64/63/40/608646340.db2.gz UOHCRIWMISIKRK-MRXNPFEDSA-N 1 1 335.448 0.034 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3COCCN3C)CC2)C1 ZINC000949343844 608646342 /nfs/dbraw/zinc/64/63/42/608646342.db2.gz UOHCRIWMISIKRK-MRXNPFEDSA-N 1 1 335.448 0.034 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 ZINC000949366078 608654704 /nfs/dbraw/zinc/65/47/04/608654704.db2.gz SUCKOZBZRWYBMC-MRXNPFEDSA-N 1 1 336.432 0.509 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 ZINC000949366078 608654705 /nfs/dbraw/zinc/65/47/05/608654705.db2.gz SUCKOZBZRWYBMC-MRXNPFEDSA-N 1 1 336.432 0.509 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000948561018 611654587 /nfs/dbraw/zinc/65/45/87/611654587.db2.gz HTDOBFVKGZSNTF-KGLIPLIRSA-N 1 1 331.420 0.492 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC000948567072 611657622 /nfs/dbraw/zinc/65/76/22/611657622.db2.gz DBOUGYRYWSUROL-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC000948567072 611657625 /nfs/dbraw/zinc/65/76/25/611657625.db2.gz DBOUGYRYWSUROL-HOTGVXAUSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC000937432528 608762324 /nfs/dbraw/zinc/76/23/24/608762324.db2.gz OLPAMBKMWPIHPA-ZFWWWQNUSA-N 1 1 344.419 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC000937432528 608762327 /nfs/dbraw/zinc/76/23/27/608762327.db2.gz OLPAMBKMWPIHPA-ZFWWWQNUSA-N 1 1 344.419 0.013 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C ZINC000947463619 608762662 /nfs/dbraw/zinc/76/26/62/608762662.db2.gz KDHRGLFKGRJGSM-HOTGVXAUSA-N 1 1 336.480 0.696 20 30 ECEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CC[C@H]2CO)CC1 ZINC000934017921 608787987 /nfs/dbraw/zinc/78/79/87/608787987.db2.gz UCZVNOYKZFAGTQ-IRXDYDNUSA-N 1 1 346.406 0.601 20 30 ECEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CC[C@H]2CO)CC1 ZINC000934017921 608787990 /nfs/dbraw/zinc/78/79/90/608787990.db2.gz UCZVNOYKZFAGTQ-IRXDYDNUSA-N 1 1 346.406 0.601 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C ZINC000947797187 608807999 /nfs/dbraw/zinc/80/79/99/608807999.db2.gz ZJVPCGVFQDLUBF-KGLIPLIRSA-N 1 1 334.424 0.334 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCOC2)CC1 ZINC000947230935 608826006 /nfs/dbraw/zinc/82/60/06/608826006.db2.gz YNIXPPJNJOJLSZ-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCOC2)CC1 ZINC000947230935 608826010 /nfs/dbraw/zinc/82/60/10/608826010.db2.gz YNIXPPJNJOJLSZ-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC1(C)C ZINC000936913630 608911458 /nfs/dbraw/zinc/91/14/58/608911458.db2.gz KDXBXCCDQDOWSZ-JONQDZQNSA-N 1 1 329.444 0.942 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC1(C)C ZINC000936913630 608911460 /nfs/dbraw/zinc/91/14/60/608911460.db2.gz KDXBXCCDQDOWSZ-JONQDZQNSA-N 1 1 329.444 0.942 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947204816 608918156 /nfs/dbraw/zinc/91/81/56/608918156.db2.gz HFANVJFWCIAMJO-GXTWGEPZSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000947309111 608945235 /nfs/dbraw/zinc/94/52/35/608945235.db2.gz CGPSIYWWHRAARK-NEPJUHHUSA-N 1 1 345.432 0.776 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C[C@@H]1C ZINC000947821329 608954631 /nfs/dbraw/zinc/95/46/31/608954631.db2.gz SSORJUSHTKDTNV-WDEREUQCSA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C[C@@H]1C ZINC000947821329 608954632 /nfs/dbraw/zinc/95/46/32/608954632.db2.gz SSORJUSHTKDTNV-WDEREUQCSA-N 1 1 328.800 0.260 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947218165 608969697 /nfs/dbraw/zinc/96/96/97/608969697.db2.gz XLKIIYDITVDDPX-DGCLKSJQSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC000937688656 609012105 /nfs/dbraw/zinc/01/21/05/609012105.db2.gz JJOKRCTYXDGBFB-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC000937688656 609012110 /nfs/dbraw/zinc/01/21/10/609012110.db2.gz JJOKRCTYXDGBFB-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000937780910 609073054 /nfs/dbraw/zinc/07/30/54/609073054.db2.gz YWXRRQXDSUYKLT-STQMWFEESA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000937780910 609073057 /nfs/dbraw/zinc/07/30/57/609073057.db2.gz YWXRRQXDSUYKLT-STQMWFEESA-N 1 1 343.855 0.813 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000937768786 609078435 /nfs/dbraw/zinc/07/84/35/609078435.db2.gz RUDSQUYVYUPMJP-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC000937768786 609078438 /nfs/dbraw/zinc/07/84/38/609078438.db2.gz RUDSQUYVYUPMJP-PMPSAXMXSA-N 1 1 333.432 0.228 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937799647 609091036 /nfs/dbraw/zinc/09/10/36/609091036.db2.gz QALHODCNEOWATR-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncccc2C)C1 ZINC000937801155 609091427 /nfs/dbraw/zinc/09/14/27/609091427.db2.gz GPGAJQCPWQTDPF-HOTGVXAUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncccc2C)C1 ZINC000937801155 609091429 /nfs/dbraw/zinc/09/14/29/609091429.db2.gz GPGAJQCPWQTDPF-HOTGVXAUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC000937806976 609094781 /nfs/dbraw/zinc/09/47/81/609094781.db2.gz JAADSNRVXYSTPL-KBPBESRZSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC000937806976 609094784 /nfs/dbraw/zinc/09/47/84/609094784.db2.gz JAADSNRVXYSTPL-KBPBESRZSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)n2cccc2)C1 ZINC000938170840 609482938 /nfs/dbraw/zinc/48/29/38/609482938.db2.gz PLPROLXPHPEUGM-ULQDDVLXSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)n2cccc2)C1 ZINC000938170840 609482942 /nfs/dbraw/zinc/48/29/42/609482942.db2.gz PLPROLXPHPEUGM-ULQDDVLXSA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnccc2C)C1 ZINC000938170885 609483178 /nfs/dbraw/zinc/48/31/78/609483178.db2.gz QZTLIEXSIJSPJU-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnccc2C)C1 ZINC000938170885 609483179 /nfs/dbraw/zinc/48/31/79/609483179.db2.gz QZTLIEXSIJSPJU-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000923900519 609501710 /nfs/dbraw/zinc/50/17/10/609501710.db2.gz QICMTYOTNGPDMJ-ROUUACIJSA-N 1 1 345.443 0.879 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000923900519 609501711 /nfs/dbraw/zinc/50/17/11/609501711.db2.gz QICMTYOTNGPDMJ-ROUUACIJSA-N 1 1 345.443 0.879 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000908013169 609636845 /nfs/dbraw/zinc/63/68/45/609636845.db2.gz AGKNEWADQBRBEU-JKSUJKDBSA-N 1 1 349.456 0.972 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000908013169 609636846 /nfs/dbraw/zinc/63/68/46/609636846.db2.gz AGKNEWADQBRBEU-JKSUJKDBSA-N 1 1 349.456 0.972 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908016555 609637957 /nfs/dbraw/zinc/63/79/57/609637957.db2.gz WYIPHSCVTZMTBL-KGLIPLIRSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ncccc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000908016555 609637959 /nfs/dbraw/zinc/63/79/59/609637959.db2.gz WYIPHSCVTZMTBL-KGLIPLIRSA-N 1 1 336.417 0.173 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000908352117 609651575 /nfs/dbraw/zinc/65/15/75/609651575.db2.gz USUHQGFFRQNBFG-PBHICJAKSA-N 1 1 329.404 0.057 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccccc1CC#N)[C@@H]1C[N@H+](C)CCN1C ZINC000919988680 609669045 /nfs/dbraw/zinc/66/90/45/609669045.db2.gz HIHYWUFRJAHYIB-HIFRSBDPSA-N 1 1 336.461 0.665 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccccc1CC#N)[C@@H]1C[N@@H+](C)CCN1C ZINC000919988680 609669046 /nfs/dbraw/zinc/66/90/46/609669046.db2.gz HIHYWUFRJAHYIB-HIFRSBDPSA-N 1 1 336.461 0.665 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921321281 609702750 /nfs/dbraw/zinc/70/27/50/609702750.db2.gz CCPUKWSCCQFMKB-STQMWFEESA-N 1 1 332.495 0.636 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921321281 609702752 /nfs/dbraw/zinc/70/27/52/609702752.db2.gz CCPUKWSCCQFMKB-STQMWFEESA-N 1 1 332.495 0.636 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921321513 609702894 /nfs/dbraw/zinc/70/28/94/609702894.db2.gz GKXFNAXDIFYEHY-FRRDWIJNSA-N 1 1 332.495 0.635 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921321513 609702896 /nfs/dbraw/zinc/70/28/96/609702896.db2.gz GKXFNAXDIFYEHY-FRRDWIJNSA-N 1 1 332.495 0.635 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000947761924 609734525 /nfs/dbraw/zinc/73/45/25/609734525.db2.gz SHTVWKRDTOJYPZ-OLZOCXBDSA-N 1 1 334.420 0.243 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C ZINC000947998565 609753084 /nfs/dbraw/zinc/75/30/84/609753084.db2.gz MFMPBRPLTUXNRJ-STQMWFEESA-N 1 1 334.420 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000948825384 609758652 /nfs/dbraw/zinc/75/86/52/609758652.db2.gz CGIZOBRSLJOGNQ-LSDHHAIUSA-N 1 1 341.402 0.652 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000948825384 609758654 /nfs/dbraw/zinc/75/86/54/609758654.db2.gz CGIZOBRSLJOGNQ-LSDHHAIUSA-N 1 1 341.402 0.652 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000938375214 609760827 /nfs/dbraw/zinc/76/08/27/609760827.db2.gz MQVKOJFVQSNBEE-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC000938375928 609761104 /nfs/dbraw/zinc/76/11/04/609761104.db2.gz WYCOGKCTPCTAOF-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000948848808 609768498 /nfs/dbraw/zinc/76/84/98/609768498.db2.gz GZQSIZAHZSJKKY-CABCVRRESA-N 1 1 343.493 0.909 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C[C@@H]1C ZINC000947344000 609783914 /nfs/dbraw/zinc/78/39/14/609783914.db2.gz RYHCKUGNDOUSEK-UONOGXRCSA-N 1 1 332.452 0.963 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC000947344496 609786546 /nfs/dbraw/zinc/78/65/46/609786546.db2.gz VYZOYFLNWOMHTG-KGLIPLIRSA-N 1 1 332.452 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC000938500931 609837102 /nfs/dbraw/zinc/83/71/02/609837102.db2.gz FHPXUEQKQVNSDD-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC000938500931 609837104 /nfs/dbraw/zinc/83/71/04/609837104.db2.gz FHPXUEQKQVNSDD-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)CC(C)(C)C#N ZINC000914041662 609846414 /nfs/dbraw/zinc/84/64/14/609846414.db2.gz SMBZMVWCNSBVKJ-ZDUSSCGKSA-N 1 1 344.481 0.398 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)CC(C)(C)C#N ZINC000914041662 609846417 /nfs/dbraw/zinc/84/64/17/609846417.db2.gz SMBZMVWCNSBVKJ-ZDUSSCGKSA-N 1 1 344.481 0.398 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000914112409 609853930 /nfs/dbraw/zinc/85/39/30/609853930.db2.gz KHVPJEYWVBNSND-INIZCTEOSA-N 1 1 330.432 0.492 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000938536777 609854572 /nfs/dbraw/zinc/85/45/72/609854572.db2.gz GLIDRYFDWNARLG-WBVHZDCISA-N 1 1 340.427 0.688 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000938546489 609861566 /nfs/dbraw/zinc/86/15/66/609861566.db2.gz VYVKCABFLCFSAG-CQSZACIVSA-N 1 1 340.387 0.764 20 30 ECEDMO CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC000914315811 609876270 /nfs/dbraw/zinc/87/62/70/609876270.db2.gz AFNQPFFHSTXGRS-IPYPFGDCSA-N 1 1 340.449 0.050 20 30 ECEDMO CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC000914315811 609876272 /nfs/dbraw/zinc/87/62/72/609876272.db2.gz AFNQPFFHSTXGRS-IPYPFGDCSA-N 1 1 340.449 0.050 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](CC(C)C)C2CC2)c1=O ZINC000914566902 609892707 /nfs/dbraw/zinc/89/27/07/609892707.db2.gz SDVKYAFLGOGYMW-UHFFFAOYSA-N 1 1 334.420 0.622 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC([NH+](CCOC)CCOC)C1 ZINC000911860269 609916539 /nfs/dbraw/zinc/91/65/39/609916539.db2.gz ULAYFANRSLIIAG-HZPDHXFCSA-N 1 1 326.437 0.773 20 30 ECEDMO C#CC[NH2+]CC(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000912146594 609935176 /nfs/dbraw/zinc/93/51/76/609935176.db2.gz BLHBNLDYAWXHIT-UHFFFAOYSA-N 1 1 349.456 0.829 20 30 ECEDMO C[C@H](CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)[N@@H+](C)C1CC1 ZINC000916858367 609951618 /nfs/dbraw/zinc/95/16/18/609951618.db2.gz QSRUXAFDOYVFFK-JMSVASOKSA-N 1 1 340.449 0.049 20 30 ECEDMO Cc1nc(C#N)c(N2CCC(C(=O)N(C)CC[N@@H+](C)CCO)CC2)o1 ZINC000912605571 609976609 /nfs/dbraw/zinc/97/66/09/609976609.db2.gz ZVRJPJVGJWGFET-UHFFFAOYSA-N 1 1 349.435 0.454 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000917838641 609985181 /nfs/dbraw/zinc/98/51/81/609985181.db2.gz XAMFVCMXFLOVIN-OWCLPIDISA-N 1 1 337.468 0.725 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000938904018 610036535 /nfs/dbraw/zinc/03/65/35/610036535.db2.gz WXSMXVKGAPVIEI-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000938999772 610065386 /nfs/dbraw/zinc/06/53/86/610065386.db2.gz XRNYMAQMGSNHHU-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000938999772 610065387 /nfs/dbraw/zinc/06/53/87/610065387.db2.gz XRNYMAQMGSNHHU-GJZGRUSLSA-N 1 1 337.464 0.979 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000939699618 610090830 /nfs/dbraw/zinc/09/08/30/610090830.db2.gz OMGPYIJFGFHHOW-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cscn2)C1 ZINC000939706998 610101089 /nfs/dbraw/zinc/10/10/89/610101089.db2.gz OVWYWQTXOWTQND-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cscn2)C1 ZINC000939706998 610101091 /nfs/dbraw/zinc/10/10/91/610101091.db2.gz OVWYWQTXOWTQND-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnccc2C)C1 ZINC000939855568 610153476 /nfs/dbraw/zinc/15/34/76/610153476.db2.gz HMMNBVNXJFRVTJ-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnccc2C)C1 ZINC000939855568 610153478 /nfs/dbraw/zinc/15/34/78/610153478.db2.gz HMMNBVNXJFRVTJ-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC000939973094 610177255 /nfs/dbraw/zinc/17/72/55/610177255.db2.gz MCTGZYVSUODZIL-ZBFHGGJFSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC000939973094 610177256 /nfs/dbraw/zinc/17/72/56/610177256.db2.gz MCTGZYVSUODZIL-ZBFHGGJFSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC000939973094 610177257 /nfs/dbraw/zinc/17/72/57/610177257.db2.gz MCTGZYVSUODZIL-ZBFHGGJFSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC000939973094 610177258 /nfs/dbraw/zinc/17/72/58/610177258.db2.gz MCTGZYVSUODZIL-ZBFHGGJFSA-N 1 1 343.431 0.075 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000939406173 610192547 /nfs/dbraw/zinc/19/25/47/610192547.db2.gz MAJRKCYXXMIQFM-KBPBESRZSA-N 1 1 343.431 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC000940050076 610196105 /nfs/dbraw/zinc/19/61/05/610196105.db2.gz OJQWWFJTGKLQAG-BBWFWOEESA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC000940050076 610196107 /nfs/dbraw/zinc/19/61/07/610196107.db2.gz OJQWWFJTGKLQAG-BBWFWOEESA-N 1 1 342.443 0.864 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000940062440 610198730 /nfs/dbraw/zinc/19/87/30/610198730.db2.gz ACWCCWJWNPURSC-CQSZACIVSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000940135813 610216300 /nfs/dbraw/zinc/21/63/00/610216300.db2.gz ICAJQIXQOSXCSB-CVEARBPZSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000940135813 610216301 /nfs/dbraw/zinc/21/63/01/610216301.db2.gz ICAJQIXQOSXCSB-CVEARBPZSA-N 1 1 331.416 0.148 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000939565230 610239189 /nfs/dbraw/zinc/23/91/89/610239189.db2.gz OLLCUUIGZCWEQG-WBVHZDCISA-N 1 1 340.427 0.688 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)C1 ZINC000941426525 610300624 /nfs/dbraw/zinc/30/06/24/610300624.db2.gz AWRCRJSMJUOYPR-UHFFFAOYSA-N 1 1 326.404 0.586 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCCN3C(=O)CC)CC2)C1 ZINC000941421883 610307201 /nfs/dbraw/zinc/30/72/01/610307201.db2.gz CNMCSHPGVFKZBM-QGZVFWFLSA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC000941423232 610308293 /nfs/dbraw/zinc/30/82/93/610308293.db2.gz VBUZZYZZDQUTBO-MRXNPFEDSA-N 1 1 348.491 0.648 20 30 ECEDMO CC#CCN1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431226 610312186 /nfs/dbraw/zinc/31/21/86/610312186.db2.gz KUALMAFMLXKBRG-GOSISDBHSA-N 1 1 332.492 0.713 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cn4c(n3)COCC4)CC2)C1 ZINC000941455793 610318279 /nfs/dbraw/zinc/31/82/79/610318279.db2.gz FRFDFEMOBLSMGM-UHFFFAOYSA-N 1 1 345.447 0.431 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N[C@H](C)C3)CC2)C1 ZINC000941468095 610328423 /nfs/dbraw/zinc/32/84/23/610328423.db2.gz MMHWLAPUNZUHGR-CABCVRRESA-N 1 1 334.464 0.306 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3COCCN3CC)CC2)C1 ZINC000941467994 610328477 /nfs/dbraw/zinc/32/84/77/610328477.db2.gz KRIHKPNYEZADDD-KRWDZBQOSA-N 1 1 336.480 0.112 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000940692148 610332251 /nfs/dbraw/zinc/33/22/51/610332251.db2.gz VOCIJRQOQOANII-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@H](C)c3cnn(C)c3)CC2)C1 ZINC000941498774 610343532 /nfs/dbraw/zinc/34/35/32/610343532.db2.gz HTBRWFGDUSWMED-INIZCTEOSA-N 1 1 343.475 0.765 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1 ZINC000941499717 610344601 /nfs/dbraw/zinc/34/46/01/610344601.db2.gz ALGZZZWTOLOIBF-BHYGNILZSA-N 1 1 335.448 0.052 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)CC1(C)C ZINC000940752717 610356788 /nfs/dbraw/zinc/35/67/88/610356788.db2.gz DPWOQAFNJNEPMF-ILXRZTDVSA-N 1 1 337.464 0.930 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)CC1(C)C ZINC000940752717 610356790 /nfs/dbraw/zinc/35/67/90/610356790.db2.gz DPWOQAFNJNEPMF-ILXRZTDVSA-N 1 1 337.464 0.930 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941531666 610362908 /nfs/dbraw/zinc/36/29/08/610362908.db2.gz CYVLEEXAIBEBBE-QGZVFWFLSA-N 1 1 332.492 0.570 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000940789692 610363815 /nfs/dbraw/zinc/36/38/15/610363815.db2.gz XMVMNODTYKPIBF-UKRRQHHQSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4nn(C)cc43)CC2)C1 ZINC000941534270 610365648 /nfs/dbraw/zinc/36/56/48/610365648.db2.gz RPXJDRYZXSTPLR-INIZCTEOSA-N 1 1 343.475 0.854 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)CC2)C1 ZINC000941537371 610367068 /nfs/dbraw/zinc/36/70/68/610367068.db2.gz JCYMFLFKOBTZGS-MRXNPFEDSA-N 1 1 341.459 0.216 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3c[nH]c(=O)cc3OC)CC2)C1 ZINC000941568289 610377374 /nfs/dbraw/zinc/37/73/74/610377374.db2.gz FWZURSACSQVFPT-UHFFFAOYSA-N 1 1 332.404 0.424 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](C)C1 ZINC000942315183 610393185 /nfs/dbraw/zinc/39/31/85/610393185.db2.gz SOXGZENCLZDBKP-HOCLYGCPSA-N 1 1 332.448 0.835 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](C)C1 ZINC000942315183 610393188 /nfs/dbraw/zinc/39/31/88/610393188.db2.gz SOXGZENCLZDBKP-HOCLYGCPSA-N 1 1 332.448 0.835 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)COc3cccnc3)CC2)C1 ZINC000941607518 610405585 /nfs/dbraw/zinc/40/55/85/610405585.db2.gz QEMCXKMVYZKOEN-UHFFFAOYSA-N 1 1 330.432 0.865 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873330 610420845 /nfs/dbraw/zinc/42/08/45/610420845.db2.gz LAXMKSGJDHBBTG-ZIAGYGMSSA-N 1 1 326.462 0.661 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C(C)(C)C1 ZINC000940874954 610421969 /nfs/dbraw/zinc/42/19/69/610421969.db2.gz ONWMZMPARCPJST-OAHLLOKOSA-N 1 1 348.447 0.906 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)Oc3ccccn3)CC2)C1 ZINC000941640939 610427509 /nfs/dbraw/zinc/42/75/09/610427509.db2.gz JZJBHPFTUKTMFR-INIZCTEOSA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C(C)(C)C1 ZINC000940911756 610430214 /nfs/dbraw/zinc/43/02/14/610430214.db2.gz KDSGHGJAXDIBJR-GJZGRUSLSA-N 1 1 329.448 0.999 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000940912683 610430515 /nfs/dbraw/zinc/43/05/15/610430515.db2.gz RRAKXARCSQIQMC-LSDHHAIUSA-N 1 1 343.431 0.606 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)C(=O)Nc3cc(C)on3)CC2)C1 ZINC000941661982 610432998 /nfs/dbraw/zinc/43/29/98/610432998.db2.gz PIDIWDHPHXJYKC-UHFFFAOYSA-N 1 1 347.419 0.326 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)C1 ZINC000941662015 610437001 /nfs/dbraw/zinc/43/70/01/610437001.db2.gz QYJXRNWLFYIQFA-UHFFFAOYSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](O)C(C)C)CC1 ZINC000940937271 610437829 /nfs/dbraw/zinc/43/78/29/610437829.db2.gz BSGWSPKFIBTJLK-JKSUJKDBSA-N 1 1 335.448 0.162 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](O)C(C)C)CC1 ZINC000940937271 610437831 /nfs/dbraw/zinc/43/78/31/610437831.db2.gz BSGWSPKFIBTJLK-JKSUJKDBSA-N 1 1 335.448 0.162 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)CCc3c(C)n[nH]c3C)CC2)C1 ZINC000941665339 610456309 /nfs/dbraw/zinc/45/63/09/610456309.db2.gz SMNWIHKCJWQTFK-UHFFFAOYSA-N 1 1 331.464 0.974 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)O1 ZINC000940999088 610477663 /nfs/dbraw/zinc/47/76/63/610477663.db2.gz DTBNSBGHRHMLPV-GDBMZVCRSA-N 1 1 333.432 0.180 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)O1 ZINC000940999088 610477665 /nfs/dbraw/zinc/47/76/65/610477665.db2.gz DTBNSBGHRHMLPV-GDBMZVCRSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@H](C)C1 ZINC000942528051 610500055 /nfs/dbraw/zinc/50/00/55/610500055.db2.gz WZHGYFFIZMZAID-TZMCWYRMSA-N 1 1 341.415 0.795 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C(C)(C)C1 ZINC000941029708 610505680 /nfs/dbraw/zinc/50/56/80/610505680.db2.gz ZLTVGNUMYSROBY-QLFBSQMISA-N 1 1 335.448 0.472 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](C)C1 ZINC000942543411 610505837 /nfs/dbraw/zinc/50/58/37/610505837.db2.gz VJCZVINZWKMTRH-CABCVRRESA-N 1 1 343.431 0.899 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](C)C1 ZINC000942543241 610505954 /nfs/dbraw/zinc/50/59/54/610505954.db2.gz RKNLMCNSDGJTBP-HUUCEWRRSA-N 1 1 341.415 0.346 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](C)C1 ZINC000942592102 610527069 /nfs/dbraw/zinc/52/70/69/610527069.db2.gz SOQZKHIIAMBETL-BXUZGUMPSA-N 1 1 330.388 0.379 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000941879457 610550237 /nfs/dbraw/zinc/55/02/37/610550237.db2.gz GICCCCZFKVCKPN-HZPDHXFCSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000941879699 610550829 /nfs/dbraw/zinc/55/08/29/610550829.db2.gz MQVKOJFVQSNBEE-CVEARBPZSA-N 1 1 326.400 0.488 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000941120981 610552596 /nfs/dbraw/zinc/55/25/96/610552596.db2.gz FXEJUUSZZDAHSK-CVEARBPZSA-N 1 1 346.431 0.844 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941123320 610553746 /nfs/dbraw/zinc/55/37/46/610553746.db2.gz GHHIFNZZRIIQTL-CYBMUJFWSA-N 1 1 332.404 0.589 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2nc3ncccn3n2)C(C)(C)C1 ZINC000941114164 610558188 /nfs/dbraw/zinc/55/81/88/610558188.db2.gz WEZRCJBTRFANJD-ZDUSSCGKSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C(C)(C)C1 ZINC000941134535 610558643 /nfs/dbraw/zinc/55/86/43/610558643.db2.gz YEEHTHAYSQGBTL-GDBMZVCRSA-N 1 1 345.447 0.778 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC000941151741 610565422 /nfs/dbraw/zinc/56/54/22/610565422.db2.gz QEALKCHQSGEHAQ-CQSZACIVSA-N 1 1 346.431 0.962 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC000941151741 610565424 /nfs/dbraw/zinc/56/54/24/610565424.db2.gz QEALKCHQSGEHAQ-CQSZACIVSA-N 1 1 346.431 0.962 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 ZINC000941163459 610570652 /nfs/dbraw/zinc/57/06/52/610570652.db2.gz KYNJMXLFPZIEGC-ZDUSSCGKSA-N 1 1 344.419 0.824 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 ZINC000941145820 610572760 /nfs/dbraw/zinc/57/27/60/610572760.db2.gz UZQOWLVXQAHNEL-LBPRGKRZSA-N 1 1 336.436 0.720 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)CC2(C)C)cn1 ZINC000941168442 610582750 /nfs/dbraw/zinc/58/27/50/610582750.db2.gz CYSNOYFYYOOMGZ-SWLSCSKDSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)CC2(C)C)nc1 ZINC000941169152 610583198 /nfs/dbraw/zinc/58/31/98/610583198.db2.gz JZJVISCZPFVJNF-INIZCTEOSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)CC2(C)C)nc1 ZINC000941169153 610583229 /nfs/dbraw/zinc/58/32/29/610583229.db2.gz JZJVISCZPFVJNF-MRXNPFEDSA-N 1 1 342.443 0.981 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@@H](C)C1 ZINC000942718182 610583376 /nfs/dbraw/zinc/58/33/76/610583376.db2.gz CHHBFRNQQCKVIA-KBPBESRZSA-N 1 1 330.432 0.597 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)CC2(C)C)nc1 ZINC000941169692 610583497 /nfs/dbraw/zinc/58/34/97/610583497.db2.gz QBAZBNFMZUVWBU-HOTGVXAUSA-N 1 1 340.427 0.782 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@@H](C)C1 ZINC000942720047 610584510 /nfs/dbraw/zinc/58/45/10/610584510.db2.gz HMNNLGAEZHBRKP-LSDHHAIUSA-N 1 1 344.459 0.987 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000941190699 610585209 /nfs/dbraw/zinc/58/52/09/610585209.db2.gz HTXOLHYURIZLLE-CQSZACIVSA-N 1 1 333.436 0.130 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[C@@H]1C ZINC000947899231 610587372 /nfs/dbraw/zinc/58/73/72/610587372.db2.gz HPIAKVKUNZRVNH-NWDGAFQWSA-N 1 1 342.827 0.650 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[C@@H]1C ZINC000947899231 610587373 /nfs/dbraw/zinc/58/73/73/610587373.db2.gz HPIAKVKUNZRVNH-NWDGAFQWSA-N 1 1 342.827 0.650 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965480 610587838 /nfs/dbraw/zinc/58/78/38/610587838.db2.gz YDHHSIZFNNOPKW-ABAIWWIYSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965480 610587839 /nfs/dbraw/zinc/58/78/39/610587839.db2.gz YDHHSIZFNNOPKW-ABAIWWIYSA-N 1 1 327.392 0.655 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)C1 ZINC000941206654 610596408 /nfs/dbraw/zinc/59/64/08/610596408.db2.gz KVBUDFPIRNGTDD-LBPRGKRZSA-N 1 1 331.420 0.982 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941211171 610597903 /nfs/dbraw/zinc/59/79/03/610597903.db2.gz NUZYKBNIHKWIRN-ZDUSSCGKSA-N 1 1 334.420 0.892 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000941231019 610602046 /nfs/dbraw/zinc/60/20/46/610602046.db2.gz LRHIKAMERSHWGP-HZPDHXFCSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000941236592 610606764 /nfs/dbraw/zinc/60/67/64/610606764.db2.gz DGWQCFHMTKCHJJ-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000941236592 610606766 /nfs/dbraw/zinc/60/67/66/610606766.db2.gz DGWQCFHMTKCHJJ-OAHLLOKOSA-N 1 1 337.464 0.980 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ncoc2CC)C1 ZINC000941237694 610620949 /nfs/dbraw/zinc/62/09/49/610620949.db2.gz GBSUONCTOFNDSK-KGLIPLIRSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ncoc2CC)C1 ZINC000941237694 610620951 /nfs/dbraw/zinc/62/09/51/610620951.db2.gz GBSUONCTOFNDSK-KGLIPLIRSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](OC)C2CC2)C1 ZINC000941237723 610621586 /nfs/dbraw/zinc/62/15/86/610621586.db2.gz HPLDZPVTRRIPGP-PMPSAXMXSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](OC)C2CC2)C1 ZINC000941237723 610621589 /nfs/dbraw/zinc/62/15/89/610621589.db2.gz HPLDZPVTRRIPGP-PMPSAXMXSA-N 1 1 333.432 0.226 20 30 ECEDMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000942801704 610628886 /nfs/dbraw/zinc/62/88/86/610628886.db2.gz MTEMEJSHYKJYDZ-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942055825 610634618 /nfs/dbraw/zinc/63/46/18/610634618.db2.gz CJJPHNWDGVLZHZ-RDJZCZTQSA-N 1 1 338.415 0.551 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](C)C1 ZINC000942079601 610644378 /nfs/dbraw/zinc/64/43/78/610644378.db2.gz MWSQPFBHVJKWRY-UONOGXRCSA-N 1 1 332.452 0.821 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@@H](C)C1 ZINC000942118810 610661512 /nfs/dbraw/zinc/66/15/12/610661512.db2.gz ZDASPGUSNYSIOD-AAEUAGOBSA-N 1 1 327.388 0.747 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@@H](C)C1 ZINC000942118812 610661814 /nfs/dbraw/zinc/66/18/14/610661814.db2.gz ZDASPGUSNYSIOD-WCQYABFASA-N 1 1 327.388 0.747 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@@H](C)C1 ZINC000942164111 610682506 /nfs/dbraw/zinc/68/25/06/610682506.db2.gz QXNLINKKMWATMJ-UONOGXRCSA-N 1 1 326.404 0.896 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941404336 610720643 /nfs/dbraw/zinc/72/06/43/610720643.db2.gz AFZBVPKHBLNKHL-SFHVURJKSA-N 1 1 332.492 0.711 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccnn3CCC)CC2)C1 ZINC000941423864 610724270 /nfs/dbraw/zinc/72/42/70/610724270.db2.gz DKVLKZSKBHXYJZ-UHFFFAOYSA-N 1 1 329.448 0.758 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]2C)nc1 ZINC000944191212 610775714 /nfs/dbraw/zinc/77/57/14/610775714.db2.gz ABYLZBMDJPKSII-CJNGLKHVSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C[C@H]2C)nc1 ZINC000944191212 610775716 /nfs/dbraw/zinc/77/57/16/610775716.db2.gz ABYLZBMDJPKSII-CJNGLKHVSA-N 1 1 338.415 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)C[C@H]2C)cn1 ZINC000944215038 610787312 /nfs/dbraw/zinc/78/73/12/610787312.db2.gz QCXWATOXTXVTDC-CJNGLKHVSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)C[C@H]2C)cn1 ZINC000944215038 610787314 /nfs/dbraw/zinc/78/73/14/610787314.db2.gz QCXWATOXTXVTDC-CJNGLKHVSA-N 1 1 349.456 0.548 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cn2cccn2)CC1 ZINC000944247669 610792594 /nfs/dbraw/zinc/79/25/94/610792594.db2.gz HEQITMNGEWMCPA-INIZCTEOSA-N 1 1 343.431 0.088 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cn2cccn2)CC1 ZINC000944247669 610792596 /nfs/dbraw/zinc/79/25/96/610792596.db2.gz HEQITMNGEWMCPA-INIZCTEOSA-N 1 1 343.431 0.088 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 ZINC000944809625 610794871 /nfs/dbraw/zinc/79/48/71/610794871.db2.gz FKFNHQHUWNZTBW-PWSUYJOCSA-N 1 1 327.812 0.715 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 ZINC000944809625 610794872 /nfs/dbraw/zinc/79/48/72/610794872.db2.gz FKFNHQHUWNZTBW-PWSUYJOCSA-N 1 1 327.812 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000943337538 610807906 /nfs/dbraw/zinc/80/79/06/610807906.db2.gz SHPSJOWQUPTPRL-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000943337538 610807907 /nfs/dbraw/zinc/80/79/07/610807907.db2.gz SHPSJOWQUPTPRL-IKGGRYGDSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@@H](C)C1 ZINC000944919041 610839813 /nfs/dbraw/zinc/83/98/13/610839813.db2.gz MGXPSZXNPHIGFV-UONOGXRCSA-N 1 1 326.404 0.517 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)CC2)C1 ZINC000944937808 610841625 /nfs/dbraw/zinc/84/16/25/610841625.db2.gz CSUPLQRHAAZYIQ-MRXNPFEDSA-N 1 1 329.444 0.803 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2cnon2)C1 ZINC000943469243 610862001 /nfs/dbraw/zinc/86/20/01/610862001.db2.gz FHKWDGBWHSBUID-ZFWWWQNUSA-N 1 1 345.403 0.278 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2cnon2)C1 ZINC000943469243 610862002 /nfs/dbraw/zinc/86/20/02/610862002.db2.gz FHKWDGBWHSBUID-ZFWWWQNUSA-N 1 1 345.403 0.278 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C[C@@H]2C)nn1 ZINC000943480941 610868165 /nfs/dbraw/zinc/86/81/65/610868165.db2.gz HFPZKUAWIDYTRP-GXTWGEPZSA-N 1 1 344.423 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C[C@@H]2C)nn1 ZINC000943480941 610868170 /nfs/dbraw/zinc/86/81/70/610868170.db2.gz HFPZKUAWIDYTRP-GXTWGEPZSA-N 1 1 344.423 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2C)nn1 ZINC000943483586 610869764 /nfs/dbraw/zinc/86/97/64/610869764.db2.gz YHKHIFUMLBIUPZ-KBPBESRZSA-N 1 1 346.435 0.137 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000945035650 610890400 /nfs/dbraw/zinc/89/04/00/610890400.db2.gz QQFLCIKZTJZZEZ-RRFJBIMHSA-N 1 1 332.448 0.937 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H](C)C1 ZINC000943649489 610928444 /nfs/dbraw/zinc/92/84/44/610928444.db2.gz YKKQEKOIGUHLPV-SMDDNHRTSA-N 1 1 327.388 0.404 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](C)C1 ZINC000945178688 610933704 /nfs/dbraw/zinc/93/37/04/610933704.db2.gz GFCZAWYXSOVDHC-ZIAGYGMSSA-N 1 1 348.451 0.383 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H](C)C1 ZINC000944531849 610951047 /nfs/dbraw/zinc/95/10/47/610951047.db2.gz KEEYDGRNCCXPEW-GXTWGEPZSA-N 1 1 326.404 0.896 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000943761173 610978886 /nfs/dbraw/zinc/97/88/86/610978886.db2.gz IMAYFSPQZUHXHZ-FZMZJTMJSA-N 1 1 332.404 0.589 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)CC[N@H+]1C ZINC000944614943 611026921 /nfs/dbraw/zinc/02/69/21/611026921.db2.gz FHNLHJSLTMWASY-FVQBIDKESA-N 1 1 333.432 0.084 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944630985 611032838 /nfs/dbraw/zinc/03/28/38/611032838.db2.gz AUYJFNWXTALWNR-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)cn1 ZINC000943913882 611037453 /nfs/dbraw/zinc/03/74/53/611037453.db2.gz ACCOOVWOJNQEJD-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CC(C)(C)O ZINC000943986721 611070297 /nfs/dbraw/zinc/07/02/97/611070297.db2.gz HACAUTYGOZPFHW-CABCVRRESA-N 1 1 335.448 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CC(C)(C)O ZINC000943986721 611070299 /nfs/dbraw/zinc/07/02/99/611070299.db2.gz HACAUTYGOZPFHW-CABCVRRESA-N 1 1 335.448 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CC1(O)CCC1 ZINC000944007228 611079544 /nfs/dbraw/zinc/07/95/44/611079544.db2.gz JSDRGGJLVVNJCX-CVEARBPZSA-N 1 1 347.459 0.496 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CC1(O)CCC1 ZINC000944007228 611079547 /nfs/dbraw/zinc/07/95/47/611079547.db2.gz JSDRGGJLVVNJCX-CVEARBPZSA-N 1 1 347.459 0.496 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC000944009352 611080010 /nfs/dbraw/zinc/08/00/10/611080010.db2.gz ZOMXPCIPJFHJMV-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC000944009352 611080013 /nfs/dbraw/zinc/08/00/13/611080013.db2.gz ZOMXPCIPJFHJMV-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC000944010074 611083043 /nfs/dbraw/zinc/08/30/43/611083043.db2.gz WYQMLEJKVVJTOA-IAGOWNOFSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)[C@H](C)C1 ZINC000944078049 611114947 /nfs/dbraw/zinc/11/49/47/611114947.db2.gz FMVNLVXMTUXPDD-DOMZBBRYSA-N 1 1 326.404 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000944100197 611131803 /nfs/dbraw/zinc/13/18/03/611131803.db2.gz NYQBEFDRVLLAJD-PMPSAXMXSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000944100197 611131804 /nfs/dbraw/zinc/13/18/04/611131804.db2.gz NYQBEFDRVLLAJD-PMPSAXMXSA-N 1 1 329.444 0.991 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC000946851434 611196134 /nfs/dbraw/zinc/19/61/34/611196134.db2.gz VJQJKSAWODIWRE-GASCZTMLSA-N 1 1 348.447 0.675 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000946094069 611228121 /nfs/dbraw/zinc/22/81/21/611228121.db2.gz WFCJGNSKWNXWCN-UHFFFAOYSA-N 1 1 340.387 0.812 20 30 ECEDMO C#C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)C1CCOCC1 ZINC000923327142 611230075 /nfs/dbraw/zinc/23/00/75/611230075.db2.gz QAPDUHLTPMQYOB-DLBZAZTESA-N 1 1 335.448 0.967 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC[C@@H]2C1 ZINC000946897203 611237383 /nfs/dbraw/zinc/23/73/83/611237383.db2.gz XDOZGENXJXXIJP-ZNMIVQPWSA-N 1 1 341.477 0.425 20 30 ECEDMO C=C(C)C[C@@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1=O ZINC000925342173 611247971 /nfs/dbraw/zinc/24/79/71/611247971.db2.gz AFVZBYQCEQDCTJ-IXXDHKBRSA-N 1 1 348.447 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2CC(F)(F)F)C1 ZINC000923562576 611263053 /nfs/dbraw/zinc/26/30/53/611263053.db2.gz ZZHMYVATVZYSGI-QWHCGFSZSA-N 1 1 333.354 0.463 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2CC(F)(F)F)C1 ZINC000923562576 611263054 /nfs/dbraw/zinc/26/30/54/611263054.db2.gz ZZHMYVATVZYSGI-QWHCGFSZSA-N 1 1 333.354 0.463 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCOc2ccc(C(N)=O)cc2)C1 ZINC000923571139 611264887 /nfs/dbraw/zinc/26/48/87/611264887.db2.gz ZUSBPUZGZBAGPA-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCOc2ccc(C(N)=O)cc2)C1 ZINC000923571139 611264888 /nfs/dbraw/zinc/26/48/88/611264888.db2.gz ZUSBPUZGZBAGPA-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000923590545 611271044 /nfs/dbraw/zinc/27/10/44/611271044.db2.gz ZYKLESVTUOMRTO-OAHLLOKOSA-N 1 1 335.429 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000923590545 611271046 /nfs/dbraw/zinc/27/10/46/611271046.db2.gz ZYKLESVTUOMRTO-OAHLLOKOSA-N 1 1 335.429 0.886 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)CC[C@@H]2C1 ZINC000946514583 611295124 /nfs/dbraw/zinc/29/51/24/611295124.db2.gz HNMLPTJEMWLTTD-LJISPDSOSA-N 1 1 332.448 0.984 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nnnn3C)C[C@H]2CC1 ZINC000946521411 611298672 /nfs/dbraw/zinc/29/86/72/611298672.db2.gz RARZBBVIRUGOJL-XDQVBPFNSA-N 1 1 331.424 0.601 20 30 ECEDMO COc1cc2c(cc1F)C(=NNCCC[NH+]1CCOCC1)C(=O)N2 ZINC000834977294 611305885 /nfs/dbraw/zinc/30/58/85/611305885.db2.gz SCQJLEIERZBXLG-UHFFFAOYSA-N 1 1 336.367 0.802 20 30 ECEDMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C1 ZINC000946550587 611317578 /nfs/dbraw/zinc/31/75/78/611317578.db2.gz KDYGEYLJNLZHFZ-UPJWGTAASA-N 1 1 329.404 0.544 20 30 ECEDMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)CC[C@@H]2C1 ZINC000946552932 611317911 /nfs/dbraw/zinc/31/79/11/611317911.db2.gz SNRWHASXZSXWIT-UPJWGTAASA-N 1 1 329.404 0.544 20 30 ECEDMO C#CC[C@H]1CCC[N@@H+](Cn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)C1 ZINC000842628220 611318025 /nfs/dbraw/zinc/31/80/25/611318025.db2.gz VAVKDVPOBIGCGS-HNNXBMFYSA-N 1 1 344.415 0.237 20 30 ECEDMO C#CC[C@H]1CCC[N@H+](Cn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)C1 ZINC000842628220 611318026 /nfs/dbraw/zinc/31/80/26/611318026.db2.gz VAVKDVPOBIGCGS-HNNXBMFYSA-N 1 1 344.415 0.237 20 30 ECEDMO C#CC1CC[NH+](CN2C(=O)N[C@@](CC)(c3cnn(C)c3)C2=O)CC1 ZINC000842634160 611318210 /nfs/dbraw/zinc/31/82/10/611318210.db2.gz PMNFLQTUEMZFQM-KRWDZBQOSA-N 1 1 329.404 0.880 20 30 ECEDMO C#CC1CC[NH+](CN2C(=O)N[C@](C)(CCC(=O)OCC)C2=O)CC1 ZINC000842636349 611318216 /nfs/dbraw/zinc/31/82/16/611318216.db2.gz HUSVVGIHDCEUPE-QGZVFWFLSA-N 1 1 335.404 0.943 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]3CC2)[nH]1 ZINC000946558472 611319193 /nfs/dbraw/zinc/31/91/93/611319193.db2.gz GPNWCESJZIKZTO-ZENOOKHLSA-N 1 1 341.415 0.559 20 30 ECEDMO C[N@@H+](CCNC(=O)C(C)(C)c1ccc(C#N)cc1)CCOCCO ZINC000922130904 611338719 /nfs/dbraw/zinc/33/87/19/611338719.db2.gz INFCHPIRIPVVMX-UHFFFAOYSA-N 1 1 333.432 0.893 20 30 ECEDMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933652833 611738961 /nfs/dbraw/zinc/73/89/61/611738961.db2.gz SFWPNMJQLYQNOP-ZIAGYGMSSA-N 1 1 349.431 0.437 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933727499 611744859 /nfs/dbraw/zinc/74/48/59/611744859.db2.gz VIYAOEOJAIFJKH-OKILXGFUSA-N 1 1 336.413 0.922 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933727499 611744860 /nfs/dbraw/zinc/74/48/60/611744860.db2.gz VIYAOEOJAIFJKH-OKILXGFUSA-N 1 1 336.413 0.922 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000947968765 611759230 /nfs/dbraw/zinc/75/92/30/611759230.db2.gz MMCZHUAMIRTROC-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO CN1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+](C)CC1 ZINC000933993606 611764468 /nfs/dbraw/zinc/76/44/68/611764468.db2.gz YXQHKELOIIUIOT-HNNXBMFYSA-N 1 1 347.488 0.904 20 30 ECEDMO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](O)CC#N ZINC000929684983 611781313 /nfs/dbraw/zinc/78/13/13/611781313.db2.gz DFXOXOVZNVJEMW-CQSZACIVSA-N 1 1 326.441 0.745 20 30 ECEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929877403 611803341 /nfs/dbraw/zinc/80/33/41/611803341.db2.gz JBVGYUOKIJNTPL-CQSZACIVSA-N 1 1 332.404 0.822 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cscn1 ZINC000949081733 611812869 /nfs/dbraw/zinc/81/28/69/611812869.db2.gz KDHQFGYUDWGLLW-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cscn1 ZINC000949081733 611812870 /nfs/dbraw/zinc/81/28/70/611812870.db2.gz KDHQFGYUDWGLLW-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC000949156043 611879933 /nfs/dbraw/zinc/87/99/33/611879933.db2.gz QTUWAJSCCLQIGN-NFAWXSAZSA-N 1 1 346.435 0.135 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(F)cn1 ZINC000950755071 611890926 /nfs/dbraw/zinc/89/09/26/611890926.db2.gz COWYFBVRXVIJRH-HOCLYGCPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(F)cn1 ZINC000950755071 611890927 /nfs/dbraw/zinc/89/09/27/611890927.db2.gz COWYFBVRXVIJRH-HOCLYGCPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC(F)(F)F ZINC000950755828 611891202 /nfs/dbraw/zinc/89/12/02/611891202.db2.gz VMYWTFMQODUWTH-RYUDHWBXSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC(F)(F)F ZINC000950755828 611891204 /nfs/dbraw/zinc/89/12/04/611891204.db2.gz VMYWTFMQODUWTH-RYUDHWBXSA-N 1 1 331.338 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000950755679 611891381 /nfs/dbraw/zinc/89/13/81/611891381.db2.gz RIDAGPWOFUFFDI-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000950755679 611891382 /nfs/dbraw/zinc/89/13/82/611891382.db2.gz RIDAGPWOFUFFDI-HOCLYGCPSA-N 1 1 339.399 0.315 20 30 ECEDMO CC#CC[NH+]1CCC2(CC1)CN(C(=O)CCc1c[nH]nn1)CCO2 ZINC000949194089 611895839 /nfs/dbraw/zinc/89/58/39/611895839.db2.gz HZDOGXAYUIWDHE-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO CC#CC[NH+]1CCC2(CC1)CN(C(=O)CCc1cnn[nH]1)CCO2 ZINC000949194089 611895840 /nfs/dbraw/zinc/89/58/40/611895840.db2.gz HZDOGXAYUIWDHE-UHFFFAOYSA-N 1 1 331.420 0.454 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000950232261 611917251 /nfs/dbraw/zinc/91/72/51/611917251.db2.gz XUGPSWBAOYTCFW-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc3sccn3c2=O)C1 ZINC000950808419 611919711 /nfs/dbraw/zinc/91/97/11/611919711.db2.gz LJOCETDADVPZJM-UHFFFAOYSA-N 1 1 330.413 0.926 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000950870658 611958828 /nfs/dbraw/zinc/95/88/28/611958828.db2.gz XTFDRQFSVKQWCP-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000950870657 611958912 /nfs/dbraw/zinc/95/89/12/611958912.db2.gz XTFDRQFSVKQWCP-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)C1 ZINC000949394837 611963161 /nfs/dbraw/zinc/96/31/61/611963161.db2.gz GKCYGPAQEHNLET-UHFFFAOYSA-N 1 1 346.431 0.880 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)C1 ZINC000949394837 611963162 /nfs/dbraw/zinc/96/31/62/611963162.db2.gz GKCYGPAQEHNLET-UHFFFAOYSA-N 1 1 346.431 0.880 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC000949405914 611967483 /nfs/dbraw/zinc/96/74/83/611967483.db2.gz MARHNMFBLDBRJD-UHFFFAOYSA-N 1 1 343.427 0.716 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC000949405914 611967484 /nfs/dbraw/zinc/96/74/84/611967484.db2.gz MARHNMFBLDBRJD-UHFFFAOYSA-N 1 1 343.427 0.716 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC000949426908 611975333 /nfs/dbraw/zinc/97/53/33/611975333.db2.gz ALTZXMFJAIFAHT-MRXNPFEDSA-N 1 1 347.459 0.619 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 ZINC000949470782 611991314 /nfs/dbraw/zinc/99/13/14/611991314.db2.gz JCGGBVOWVWUVBX-QGZVFWFLSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949493624 612005252 /nfs/dbraw/zinc/00/52/52/612005252.db2.gz YQJIVFIPQIOKGI-HNNXBMFYSA-N 1 1 335.448 0.925 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949519905 612018831 /nfs/dbraw/zinc/01/88/31/612018831.db2.gz AIIDNGXRRJLODY-KRWDZBQOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC000950436731 612019182 /nfs/dbraw/zinc/01/91/82/612019182.db2.gz UVEXZXBUFSDROK-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC000950436731 612019183 /nfs/dbraw/zinc/01/91/83/612019183.db2.gz UVEXZXBUFSDROK-ZBFHGGJFSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cn3ccnc3C)CC2)C1 ZINC000949526551 612021100 /nfs/dbraw/zinc/02/11/00/612021100.db2.gz ZSUTUTJOSSUCBO-UHFFFAOYSA-N 1 1 330.432 0.908 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950481643 612035254 /nfs/dbraw/zinc/03/52/54/612035254.db2.gz DRSHPANKKYCSIS-UKRRQHHQSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000950482376 612035532 /nfs/dbraw/zinc/03/55/32/612035532.db2.gz LFJMFIKGHYFHET-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCN1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1=O ZINC000950521615 612051777 /nfs/dbraw/zinc/05/17/77/612051777.db2.gz RTEMBGKBLMYZQH-MRXNPFEDSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nnc(C)o2)C1 ZINC000950534070 612057976 /nfs/dbraw/zinc/05/79/76/612057976.db2.gz QGBRSXZFHKBOCU-HNNXBMFYSA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nnc(C)o2)C1 ZINC000950534070 612057977 /nfs/dbraw/zinc/05/79/77/612057977.db2.gz QGBRSXZFHKBOCU-HNNXBMFYSA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000951223797 612088783 /nfs/dbraw/zinc/08/87/83/612088783.db2.gz PZIJVVYVMXSMJY-IRXDYDNUSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000951223797 612088784 /nfs/dbraw/zinc/08/87/84/612088784.db2.gz PZIJVVYVMXSMJY-IRXDYDNUSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000951223940 612088981 /nfs/dbraw/zinc/08/89/81/612088981.db2.gz TYMGXRACYFFGQC-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000951223940 612088984 /nfs/dbraw/zinc/08/89/84/612088984.db2.gz TYMGXRACYFFGQC-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2nccs2)C1 ZINC000951224039 612089046 /nfs/dbraw/zinc/08/90/46/612089046.db2.gz WSPHCTAECKRSOQ-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2nccs2)C1 ZINC000951224039 612089047 /nfs/dbraw/zinc/08/90/47/612089047.db2.gz WSPHCTAECKRSOQ-KBPBESRZSA-N 1 1 346.456 0.962 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1)CC2 ZINC000951852922 612096327 /nfs/dbraw/zinc/09/63/27/612096327.db2.gz QRWAZKBYGOPYAW-DOTOQJQBSA-N 1 1 340.427 0.884 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000951965528 612157980 /nfs/dbraw/zinc/15/79/80/612157980.db2.gz KKYDIVQGOYOWQZ-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000951965528 612157981 /nfs/dbraw/zinc/15/79/81/612157981.db2.gz KKYDIVQGOYOWQZ-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000951374170 612189746 /nfs/dbraw/zinc/18/97/46/612189746.db2.gz CRDKBIXHJWTPMG-AWEZNQCLSA-N 1 1 340.387 0.812 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC000951386210 612199242 /nfs/dbraw/zinc/19/92/42/612199242.db2.gz XFLSKRVSOXRQPS-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2cn[nH]c2)CC1 ZINC000953785551 612270347 /nfs/dbraw/zinc/27/03/47/612270347.db2.gz WOJCYSVSVOYBGE-INIZCTEOSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2cn[nH]c2)CC1 ZINC000953785551 612270351 /nfs/dbraw/zinc/27/03/51/612270351.db2.gz WOJCYSVSVOYBGE-INIZCTEOSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC000953792599 612279343 /nfs/dbraw/zinc/27/93/43/612279343.db2.gz NVQAZDJEOJFJEP-HOTGVXAUSA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC000953792599 612279346 /nfs/dbraw/zinc/27/93/46/612279346.db2.gz NVQAZDJEOJFJEP-HOTGVXAUSA-N 1 1 333.432 0.322 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N(C)C1CN(C(=O)C#CC3CC3)C1)CC2 ZINC000955136047 612298247 /nfs/dbraw/zinc/29/82/47/612298247.db2.gz ILSHUHZLHDLABX-OAHLLOKOSA-N 1 1 340.427 0.837 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000954513287 612352179 /nfs/dbraw/zinc/35/21/79/612352179.db2.gz RKPBRFLIPZVAFX-XJKSGUPXSA-N 1 1 348.447 0.459 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000955254819 612386827 /nfs/dbraw/zinc/38/68/27/612386827.db2.gz ZHQJERAIURKMDP-UHFFFAOYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000955261209 612390584 /nfs/dbraw/zinc/39/05/84/612390584.db2.gz YGFUTFUXNBPKCQ-ZBFHGGJFSA-N 1 1 347.459 0.875 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000955262622 612391811 /nfs/dbraw/zinc/39/18/11/612391811.db2.gz DFFAXPOJEWCVOX-DYVFJYSZSA-N 1 1 340.427 0.543 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000955264349 612394394 /nfs/dbraw/zinc/39/43/94/612394394.db2.gz ZVLPYKSPVRWGMO-CQSZACIVSA-N 1 1 326.400 0.297 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCOCC2)C1 ZINC000954631104 612468969 /nfs/dbraw/zinc/46/89/69/612468969.db2.gz OZPVYTZTUWNBRP-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCOCC2)C1 ZINC000954631104 612468973 /nfs/dbraw/zinc/46/89/73/612468973.db2.gz OZPVYTZTUWNBRP-WBVHZDCISA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CC(OCC)C2)C1 ZINC000954631291 612469485 /nfs/dbraw/zinc/46/94/85/612469485.db2.gz VBJYKKKYCCLMPP-PREGVCBESA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CC(OCC)C2)C1 ZINC000954631291 612469488 /nfs/dbraw/zinc/46/94/88/612469488.db2.gz VBJYKKKYCCLMPP-PREGVCBESA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2[nH]c(C)nc2C)C1 ZINC000954630889 612469613 /nfs/dbraw/zinc/46/96/13/612469613.db2.gz OCGLRQBQMXVMBG-HNNXBMFYSA-N 1 1 343.431 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2[nH]c(C)nc2C)C1 ZINC000954630889 612469617 /nfs/dbraw/zinc/46/96/17/612469617.db2.gz OCGLRQBQMXVMBG-HNNXBMFYSA-N 1 1 343.431 0.407 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000955348765 612479876 /nfs/dbraw/zinc/47/98/76/612479876.db2.gz CRBLAYOPYDTDEZ-DYVFJYSZSA-N 1 1 340.427 0.543 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000955365710 612503934 /nfs/dbraw/zinc/50/39/34/612503934.db2.gz XALIUQWROVVPEK-HZMVEIRTSA-N 1 1 349.475 0.977 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC000955970575 612543302 /nfs/dbraw/zinc/54/33/02/612543302.db2.gz PANZIQCYUZYIPU-DZGCQCFKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cncc(F)c2)C1 ZINC000954031170 612571607 /nfs/dbraw/zinc/57/16/07/612571607.db2.gz KSZYAOQRVMZYIB-INIZCTEOSA-N 1 1 344.390 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cncc(F)c2)C1 ZINC000954031170 612571611 /nfs/dbraw/zinc/57/16/11/612571611.db2.gz KSZYAOQRVMZYIB-INIZCTEOSA-N 1 1 344.390 0.601 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956837859 612607872 /nfs/dbraw/zinc/60/78/72/612607872.db2.gz SHBYDICNHDZCHR-PXAZEXFGSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cccnn2)C1 ZINC000951798237 612631688 /nfs/dbraw/zinc/63/16/88/612631688.db2.gz UXNNYMOHABCUIA-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cccnn2)C1 ZINC000951798237 612631694 /nfs/dbraw/zinc/63/16/94/612631694.db2.gz UXNNYMOHABCUIA-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC000956073491 612677363 /nfs/dbraw/zinc/67/73/63/612677363.db2.gz TXLLPPLIARTARY-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC000956073491 612677365 /nfs/dbraw/zinc/67/73/65/612677365.db2.gz TXLLPPLIARTARY-HOCLYGCPSA-N 1 1 343.431 0.537 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000954788216 612683247 /nfs/dbraw/zinc/68/32/47/612683247.db2.gz QHJSBEFUPJWHKJ-UAGQMJEPSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000956928819 612712674 /nfs/dbraw/zinc/71/26/74/612712674.db2.gz LOVYTEXRKIFPGK-YOEHRIQHSA-N 1 1 346.435 0.279 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956108871 612713891 /nfs/dbraw/zinc/71/38/91/612713891.db2.gz AQSUMMFWNDCKNU-ZFWWWQNUSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000956935699 612718445 /nfs/dbraw/zinc/71/84/45/612718445.db2.gz YIBMSTWXUXVGEJ-SJKOYZFVSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1=O ZINC000245709069 612725564 /nfs/dbraw/zinc/72/55/64/612725564.db2.gz DWEAKNQMGJBNGT-UONOGXRCSA-N 1 1 334.420 0.479 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1=O ZINC000245709069 612725565 /nfs/dbraw/zinc/72/55/65/612725565.db2.gz DWEAKNQMGJBNGT-UONOGXRCSA-N 1 1 334.420 0.479 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccncn1 ZINC000956171555 612755406 /nfs/dbraw/zinc/75/54/06/612755406.db2.gz UWQWTYADGLAFNQ-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ccncn1 ZINC000956171555 612755408 /nfs/dbraw/zinc/75/54/08/612755408.db2.gz UWQWTYADGLAFNQ-HOCLYGCPSA-N 1 1 341.415 0.295 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000956209666 612779462 /nfs/dbraw/zinc/77/94/62/612779462.db2.gz COMLQCFXHQCFKD-WBVHZDCISA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000954912382 612781597 /nfs/dbraw/zinc/78/15/97/612781597.db2.gz IMDGVMFLQJEWDK-CQSZACIVSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000954912198 612781848 /nfs/dbraw/zinc/78/18/48/612781848.db2.gz GCMUXMKBINRCFS-AWEZNQCLSA-N 1 1 326.400 0.297 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000954943063 612804950 /nfs/dbraw/zinc/80/49/50/612804950.db2.gz JSFCRUOXRIUJSN-INIZCTEOSA-N 1 1 325.412 0.902 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000954413046 612897299 /nfs/dbraw/zinc/89/72/99/612897299.db2.gz RRPSAVMCLLMFPT-JKSUJKDBSA-N 1 1 343.431 0.899 20 30 ECEDMO CCOC(=O)c1cc(C)nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1C#N ZINC001164666903 719382533 /nfs/dbraw/zinc/38/25/33/719382533.db2.gz MCCZUWZWXGDZDU-CABCVRRESA-N 1 1 330.388 0.958 20 30 ECEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc(C)nc1C#N)CC2 ZINC001164684384 719735159 /nfs/dbraw/zinc/73/51/59/719735159.db2.gz GVGCPYGEBUHUGU-UHFFFAOYSA-N 1 1 328.420 0.838 20 30 ECEDMO N#Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C#N)c1 ZINC001164739296 720662311 /nfs/dbraw/zinc/66/23/11/720662311.db2.gz MTIJVCFJDMLBPK-JKSUJKDBSA-N 1 1 347.382 0.957 20 30 ECEDMO C=CC[NH+]1CCN(c2ncc3c(n2)N2CCC[C@@H]2C(=O)N3C)CC1 ZINC001165031405 721867443 /nfs/dbraw/zinc/86/74/43/721867443.db2.gz HNSUWGFJXHOKSA-CYBMUJFWSA-N 1 1 328.420 0.730 20 30 ECEDMO C=CCN1CCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CC1 ZINC001165032065 721869918 /nfs/dbraw/zinc/86/99/18/721869918.db2.gz FWGKIRTULRCCOF-UHFFFAOYSA-N 1 1 330.436 0.224 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)c[nH]c3=O)[C@H]2C1 ZINC001083236826 735515398 /nfs/dbraw/zinc/51/53/98/735515398.db2.gz XXKQWOJCGAGFSE-JKSUJKDBSA-N 1 1 329.400 0.898 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)c[nH]c3=O)[C@H]2C1 ZINC001083236826 735515399 /nfs/dbraw/zinc/51/53/99/735515399.db2.gz XXKQWOJCGAGFSE-JKSUJKDBSA-N 1 1 329.400 0.898 20 30 ECEDMO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1)c1nnnn1C ZINC001024931578 738404302 /nfs/dbraw/zinc/40/43/02/738404302.db2.gz IDVQGRYWMQOZOM-SMDDNHRTSA-N 1 1 342.407 0.755 20 30 ECEDMO C[C@@H](CNc1ncc(C#N)cc1F)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104539332 738444525 /nfs/dbraw/zinc/44/45/25/738444525.db2.gz YNKWMITZQZNKFI-SMDDNHRTSA-N 1 1 335.383 0.682 20 30 ECEDMO C[C@@H](CNc1ncc(C#N)cc1F)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104539332 738444528 /nfs/dbraw/zinc/44/45/28/738444528.db2.gz YNKWMITZQZNKFI-SMDDNHRTSA-N 1 1 335.383 0.682 20 30 ECEDMO Cc1cc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001104539041 738447496 /nfs/dbraw/zinc/44/74/96/738447496.db2.gz SGJPFSYFIYBCAL-CZUORRHYSA-N 1 1 331.420 0.273 20 30 ECEDMO Cc1cc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001104539041 738447501 /nfs/dbraw/zinc/44/75/01/738447501.db2.gz SGJPFSYFIYBCAL-CZUORRHYSA-N 1 1 331.420 0.273 20 30 ECEDMO C=CCOc1ccccc1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000969119861 731487586 /nfs/dbraw/zinc/48/75/86/731487586.db2.gz WZVDXPJFRPYSAJ-CYBMUJFWSA-N 1 1 342.403 0.779 20 30 ECEDMO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC000969148063 731531813 /nfs/dbraw/zinc/53/18/13/731531813.db2.gz OLYJULPCXBXDNM-IRXDYDNUSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)C(N)=O)C1 ZINC001211489867 731551140 /nfs/dbraw/zinc/55/11/40/731551140.db2.gz NZKLDGBHQVPCQR-RBSFLKMASA-N 1 1 325.453 0.773 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000969169999 731553766 /nfs/dbraw/zinc/55/37/66/731553766.db2.gz LCKCRWLVUIQPBG-XJKSGUPXSA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)cn1 ZINC001125279263 731556834 /nfs/dbraw/zinc/55/68/34/731556834.db2.gz JIOFIGQNZLTNFB-ZBFHGGJFSA-N 1 1 345.447 0.693 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nc1 ZINC001125279935 731565841 /nfs/dbraw/zinc/56/58/41/731565841.db2.gz NQPHWVVVXWLGNX-WMLDXEAASA-N 1 1 345.447 0.693 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H](n2ccnn2)C1 ZINC001069979792 790273354 /nfs/dbraw/zinc/27/33/54/790273354.db2.gz PKTARODBWQAQLT-PWSUYJOCSA-N 1 1 335.799 0.506 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H](n2ccnn2)C1 ZINC001069979792 790273358 /nfs/dbraw/zinc/27/33/58/790273358.db2.gz PKTARODBWQAQLT-PWSUYJOCSA-N 1 1 335.799 0.506 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cncn4)c3)[C@H]2C1 ZINC001083188523 731764692 /nfs/dbraw/zinc/76/46/92/731764692.db2.gz ZDGLSNVNQXMQTA-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cncn4)c3)[C@H]2C1 ZINC001083188523 731764695 /nfs/dbraw/zinc/76/46/95/731764695.db2.gz ZDGLSNVNQXMQTA-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cnn(CC)c3)C2)C1=O ZINC000969418644 731842626 /nfs/dbraw/zinc/84/26/26/731842626.db2.gz UMNILMCPMYLKJK-BBRMVZONSA-N 1 1 345.447 0.740 20 30 ECEDMO COCCC(=O)N1CC[C@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001111963831 738556782 /nfs/dbraw/zinc/55/67/82/738556782.db2.gz XQNGYXFHCGDIKO-HNNXBMFYSA-N 1 1 344.419 0.108 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000969463597 731910215 /nfs/dbraw/zinc/91/02/15/731910215.db2.gz QJBUCGCWEBSZCU-BLLLJJGKSA-N 1 1 341.415 0.723 20 30 ECEDMO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC000969514806 731935714 /nfs/dbraw/zinc/93/57/14/731935714.db2.gz SUCWZUSRVHCRRP-GHMZBOCLSA-N 1 1 329.404 0.604 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cncnc3)C2)C1=O ZINC000969539471 731955650 /nfs/dbraw/zinc/95/56/50/731955650.db2.gz OFFRJKZVABERNT-DOMZBBRYSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3nccc(C)n3)C2)C1=O ZINC000969588003 731987760 /nfs/dbraw/zinc/98/77/60/731987760.db2.gz INCOMBMBSUZHOJ-ZFWWWQNUSA-N 1 1 343.431 0.622 20 30 ECEDMO C[C@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000969592772 731991416 /nfs/dbraw/zinc/99/14/16/731991416.db2.gz AUMJPSAZPJCGFT-ZUZCIYMTSA-N 1 1 346.362 0.742 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC000969626810 732007833 /nfs/dbraw/zinc/00/78/33/732007833.db2.gz HGJADFPYHKMNCJ-PMPSAXMXSA-N 1 1 334.464 0.448 20 30 ECEDMO CC1(C)C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973048590 738581480 /nfs/dbraw/zinc/58/14/80/738581480.db2.gz TWMFPCSMYODGGL-CQSZACIVSA-N 1 1 327.392 0.618 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000973048318 738584543 /nfs/dbraw/zinc/58/45/43/738584543.db2.gz RBWSHDZDZICSDP-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973053276 738589179 /nfs/dbraw/zinc/58/91/79/738589179.db2.gz XNYMHBKSSWXYFH-CQSZACIVSA-N 1 1 329.404 0.559 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973053276 738589184 /nfs/dbraw/zinc/58/91/84/738589184.db2.gz XNYMHBKSSWXYFH-CQSZACIVSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969787741 732348816 /nfs/dbraw/zinc/34/88/16/732348816.db2.gz FVPPESZRLQBXPV-XJKSGUPXSA-N 1 1 340.427 0.973 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000969838550 732428079 /nfs/dbraw/zinc/42/80/79/732428079.db2.gz YZHKZGIWKPDWBU-XJKSGUPXSA-N 1 1 330.432 0.955 20 30 ECEDMO C[C@@H](NC(=O)c1cnn[nH]1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000970023201 732637083 /nfs/dbraw/zinc/63/70/83/732637083.db2.gz GIWUUAJDDXCUKV-GFCCVEGCSA-N 1 1 340.387 0.957 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@H]2CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001039127964 733050100 /nfs/dbraw/zinc/05/01/00/733050100.db2.gz UDSUXEKHHOTDBL-ZBFHGGJFSA-N 1 1 330.436 0.998 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CC(N)=O)C1 ZINC001087363405 738678827 /nfs/dbraw/zinc/67/88/27/738678827.db2.gz HZOBXRLSDYAIII-VGWMRTNUSA-N 1 1 342.443 0.942 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001206946980 733111236 /nfs/dbraw/zinc/11/12/36/733111236.db2.gz AAIODTKXCSODCW-RBSFLKMASA-N 1 1 328.478 0.763 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001206946980 733111239 /nfs/dbraw/zinc/11/12/39/733111239.db2.gz AAIODTKXCSODCW-RBSFLKMASA-N 1 1 328.478 0.763 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C)cn3)C2)nn1 ZINC000970223931 733234616 /nfs/dbraw/zinc/23/46/16/733234616.db2.gz FIWZJAUJBAFVNV-CQSZACIVSA-N 1 1 341.419 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1ncnc2nc[nH]c21 ZINC001104253071 733367869 /nfs/dbraw/zinc/36/78/69/733367869.db2.gz DFUCDXRMRVOCGB-OLZOCXBDSA-N 1 1 341.419 0.566 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNc1ncnc2nc[nH]c21 ZINC001104253071 733367873 /nfs/dbraw/zinc/36/78/73/733367873.db2.gz DFUCDXRMRVOCGB-OLZOCXBDSA-N 1 1 341.419 0.566 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001078123399 782338582 /nfs/dbraw/zinc/33/85/82/782338582.db2.gz QPMQXLUBKSFVJC-CPUCHLNUSA-N 1 1 332.400 0.954 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2O)C1 ZINC000970378988 733443299 /nfs/dbraw/zinc/44/32/99/733443299.db2.gz XONKFOOVRLZIHX-KFWWJZLASA-N 1 1 335.448 0.515 20 30 ECEDMO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)CNc1ccnc(C#N)n1 ZINC001104260012 733444894 /nfs/dbraw/zinc/44/48/94/733444894.db2.gz ICUHQGRJXDTNJB-UONOGXRCSA-N 1 1 330.436 0.809 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCNC3=O)C2)cc1 ZINC000970538574 733657449 /nfs/dbraw/zinc/65/74/49/733657449.db2.gz QNXKWNLROVFRLQ-DYVFJYSZSA-N 1 1 341.411 0.637 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3cc(C)ncn3)C2)nn1 ZINC000970544055 733661050 /nfs/dbraw/zinc/66/10/50/733661050.db2.gz FRKAKEWZRYEVDU-CYBMUJFWSA-N 1 1 341.419 0.813 20 30 ECEDMO Cn1c(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)nnc1C1CCC1 ZINC001125391067 733679022 /nfs/dbraw/zinc/67/90/22/733679022.db2.gz QEBJKTXRUJZMEB-UHFFFAOYSA-N 1 1 327.392 0.802 20 30 ECEDMO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)Cn2nc(C)ccc2=O)CC1 ZINC001098538217 733682374 /nfs/dbraw/zinc/68/23/74/733682374.db2.gz LPNBUCSWKHNEEL-UHFFFAOYSA-N 1 1 348.447 0.413 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 ZINC001098538361 733686989 /nfs/dbraw/zinc/68/69/89/733686989.db2.gz NVHQWPDJFRELAA-KRWDZBQOSA-N 1 1 337.464 0.859 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCC(C)C)C[C@H]32)nn1 ZINC001114942147 733709148 /nfs/dbraw/zinc/70/91/48/733709148.db2.gz ITNPEHBUMIXJGY-FOLVSLTJSA-N 1 1 333.436 0.797 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000973103876 738744703 /nfs/dbraw/zinc/74/47/03/738744703.db2.gz AHWGYYNWFVJDNM-JYJNAYRXSA-N 1 1 326.400 0.534 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cccnn3)C2)C1=O ZINC000970637025 733767207 /nfs/dbraw/zinc/76/72/07/733767207.db2.gz OEVVHMXYQZJFMX-SWLSCSKDSA-N 1 1 329.404 0.314 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cccnn3)C2)C1=O ZINC000970637027 733767209 /nfs/dbraw/zinc/76/72/09/733767209.db2.gz OEVVHMXYQZJFMX-WFASDCNBSA-N 1 1 329.404 0.314 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H](C)C1C[NH+]([C@@H](CC)C(N)=O)C1 ZINC000970753286 733909570 /nfs/dbraw/zinc/90/95/70/733909570.db2.gz HLBRZPZLKDHIQR-WFASDCNBSA-N 1 1 344.415 0.408 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cn(CC)cn3)C2)C1=O ZINC000970751742 733911761 /nfs/dbraw/zinc/91/17/61/733911761.db2.gz JGJYJYLMTINCBP-CZUORRHYSA-N 1 1 345.447 0.740 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCN(C)C3=O)C2)nc1 ZINC000970761946 733921973 /nfs/dbraw/zinc/92/19/73/733921973.db2.gz AWKZHJJITDFUBO-BLLLJJGKSA-N 1 1 326.400 0.344 20 30 ECEDMO COC(=O)Cc1cc(Cl)nc(-n2cnc(C[NH3+])cc2=N)c1C#N ZINC001167351404 733977485 /nfs/dbraw/zinc/97/74/85/733977485.db2.gz RGPCCIWUNBLYBX-UHFFFAOYSA-N 1 1 332.751 0.446 20 30 ECEDMO COc1ccc(C[NH2+]CCNC(=O)CCc2nc[nH]n2)cc1C#N ZINC001125419795 733977517 /nfs/dbraw/zinc/97/75/17/733977517.db2.gz RVNZDRJRBHZBAA-UHFFFAOYSA-N 1 1 328.376 0.524 20 30 ECEDMO CCc1cc(N2CCO[C@H](CNC(=O)CSCC#N)C2)nc(C)[nH+]1 ZINC001104292735 734012061 /nfs/dbraw/zinc/01/20/61/734012061.db2.gz HEAZNJKHJJRQEF-CQSZACIVSA-N 1 1 349.460 0.926 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3nonc3C)C2)C1=O ZINC000970976595 734139573 /nfs/dbraw/zinc/13/95/73/734139573.db2.gz VJMWFGMURRQRCY-GXFFZTMASA-N 1 1 333.392 0.215 20 30 ECEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044473 734205064 /nfs/dbraw/zinc/20/50/64/734205064.db2.gz HCJJVMJNRBJWOV-OAHLLOKOSA-N 1 1 325.376 0.278 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044975 734205896 /nfs/dbraw/zinc/20/58/96/734205896.db2.gz KWTCVSULDREXQS-NSHDSACASA-N 1 1 331.405 0.339 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cccn3)C2)C1=O ZINC000971075154 734235796 /nfs/dbraw/zinc/23/57/96/734235796.db2.gz LWLIEDNWRDVQQL-GJZGRUSLSA-N 1 1 331.420 0.203 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCC(OC(C)(C)C)CC1 ZINC000261705384 734275480 /nfs/dbraw/zinc/27/54/80/734275480.db2.gz GQCITWFISJKHID-OAHLLOKOSA-N 1 1 337.512 0.841 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(c3ccc(C#N)cn3)CCO2)C1 ZINC001104321661 734296178 /nfs/dbraw/zinc/29/61/78/734296178.db2.gz LFSJDKVMZHOOCB-ZBFHGGJFSA-N 1 1 343.431 0.616 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](CCC)NC(N)=O)CC1 ZINC001098547676 734302287 /nfs/dbraw/zinc/30/22/87/734302287.db2.gz GCLUGGSHUMYURF-OAHLLOKOSA-N 1 1 338.452 0.132 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3ccnn3C)C2)C1=O ZINC000971182053 734342150 /nfs/dbraw/zinc/34/21/50/734342150.db2.gz ULSCMZSWBCLISR-UONOGXRCSA-N 1 1 331.420 0.353 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)CCc2nnn(C(C)(C)C)n2)C1 ZINC000971211378 734362874 /nfs/dbraw/zinc/36/28/74/734362874.db2.gz QRQHJHCDGSBXCR-OLZOCXBDSA-N 1 1 333.440 0.663 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)CC2CCS(=O)(=O)CC2)C1 ZINC000971220472 734371166 /nfs/dbraw/zinc/37/11/66/734371166.db2.gz GZRMKWSKKAAPMQ-JSGCOSHPSA-N 1 1 327.450 0.504 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)CCO1 ZINC001104330653 734371312 /nfs/dbraw/zinc/37/13/12/734371312.db2.gz UGBPGRMSAKUPFL-XJKSGUPXSA-N 1 1 346.431 0.707 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cnn(CC)c3)C2)C1=O ZINC000971225701 734375262 /nfs/dbraw/zinc/37/52/62/734375262.db2.gz CNJGNLVEYRPXLO-HOTGVXAUSA-N 1 1 345.447 0.836 20 30 ECEDMO C[N@@H+](C[C@H]1CCc2ncnn21)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971287904 734421523 /nfs/dbraw/zinc/42/15/23/734421523.db2.gz HDFWALWKSSQDIC-ZIAGYGMSSA-N 1 1 339.403 0.812 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 ZINC001098550298 734446302 /nfs/dbraw/zinc/44/63/02/734446302.db2.gz GBFWZTPCVNSTRF-MRXNPFEDSA-N 1 1 335.448 0.306 20 30 ECEDMO C[N@@H+](C[C@H]1CCc2ncnn21)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971375464 734487713 /nfs/dbraw/zinc/48/77/13/734487713.db2.gz AETXWMVBCYXDGC-LSDHHAIUSA-N 1 1 339.403 0.812 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)C3=CCOCC3)C2)C1=O ZINC000971388085 734498610 /nfs/dbraw/zinc/49/86/10/734498610.db2.gz IWPGFUMEFUWYRT-CVEARBPZSA-N 1 1 333.432 0.653 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261942684 734804407 /nfs/dbraw/zinc/80/44/07/734804407.db2.gz DVYCKDZWTKZLOW-GVDBMIGSSA-N 1 1 345.495 0.341 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971640598 734864918 /nfs/dbraw/zinc/86/49/18/734864918.db2.gz HKKQVMXYWUBEPI-GFCCVEGCSA-N 1 1 335.857 0.307 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971640598 734864919 /nfs/dbraw/zinc/86/49/19/734864919.db2.gz HKKQVMXYWUBEPI-GFCCVEGCSA-N 1 1 335.857 0.307 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3c[nH]cn3)C2)C1=O ZINC000971651208 734879405 /nfs/dbraw/zinc/87/94/05/734879405.db2.gz HHEHISSTFADXFD-HZPDHXFCSA-N 1 1 345.447 0.662 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CCCCCNC(C)=O)CC1 ZINC001098555588 734928774 /nfs/dbraw/zinc/92/87/74/734928774.db2.gz LDRFUQMGELBQFQ-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC000971686663 734951840 /nfs/dbraw/zinc/95/18/40/734951840.db2.gz DGWVXTNXSAMGHO-UONOGXRCSA-N 1 1 344.415 0.626 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000973181684 738873520 /nfs/dbraw/zinc/87/35/20/738873520.db2.gz YREISBZGISUXMM-PYJNHQTQSA-N 1 1 329.404 0.461 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001025237027 738890605 /nfs/dbraw/zinc/89/06/05/738890605.db2.gz XCRUXVCANZLPTD-KBPBESRZSA-N 1 1 346.435 0.409 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCOCC1=O ZINC001025239171 738889307 /nfs/dbraw/zinc/88/93/07/738889307.db2.gz CFPGWVLHNSNAJM-SJORKVTESA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC001167535564 735578238 /nfs/dbraw/zinc/57/82/38/735578238.db2.gz OMZQPXBBXZBNTQ-JKSUJKDBSA-N 1 1 330.432 0.442 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000987931174 751348775 /nfs/dbraw/zinc/34/87/75/751348775.db2.gz SHCYARUAXVFGGP-KBPBESRZSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(C4CCOCC4)nn3)[C@H]2C1 ZINC001083242742 735662000 /nfs/dbraw/zinc/66/20/00/735662000.db2.gz WSKPXVIQIOWHHV-JKSUJKDBSA-N 1 1 347.419 0.341 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(C4CCOCC4)nn3)[C@H]2C1 ZINC001083242742 735662002 /nfs/dbraw/zinc/66/20/02/735662002.db2.gz WSKPXVIQIOWHHV-JKSUJKDBSA-N 1 1 347.419 0.341 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3c(C)cnn3C)C2)C1=O ZINC000972123865 735674064 /nfs/dbraw/zinc/67/40/64/735674064.db2.gz FFYNABRBHQGOOA-HUUCEWRRSA-N 1 1 345.447 0.662 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972201389 735778540 /nfs/dbraw/zinc/77/85/40/735778540.db2.gz XXIXHXHTGRVEKO-GJZGRUSLSA-N 1 1 327.388 0.272 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972221829 735806213 /nfs/dbraw/zinc/80/62/13/735806213.db2.gz CUHZOMUJVGWGLV-AWEZNQCLSA-N 1 1 344.390 0.996 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cn3)[C@H]2C1 ZINC001083246084 735854527 /nfs/dbraw/zinc/85/45/27/735854527.db2.gz ZCINZTJWCJYXPQ-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cn3)[C@H]2C1 ZINC001083246084 735854531 /nfs/dbraw/zinc/85/45/31/735854531.db2.gz ZCINZTJWCJYXPQ-DLBZAZTESA-N 1 1 339.399 0.979 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)N3CCCC3=O)[C@H]2C1 ZINC001083246292 735891869 /nfs/dbraw/zinc/89/18/69/735891869.db2.gz JTRQNSLLRBZVJF-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)N3CCCC3=O)[C@H]2C1 ZINC001083246292 735891875 /nfs/dbraw/zinc/89/18/75/735891875.db2.gz JTRQNSLLRBZVJF-HRCADAONSA-N 1 1 333.432 0.322 20 30 ECEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972344265 735974664 /nfs/dbraw/zinc/97/46/64/735974664.db2.gz ZDTHDMQMQMSNGP-ZNMIVQPWSA-N 1 1 344.390 0.851 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972343466 735976395 /nfs/dbraw/zinc/97/63/95/735976395.db2.gz RBTMYYSLXWNLAH-HONMWMINSA-N 1 1 332.429 0.774 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001041963209 782502475 /nfs/dbraw/zinc/50/24/75/782502475.db2.gz JWLJJROKTWAVPL-OAHLLOKOSA-N 1 1 337.464 0.905 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)OCCOCC)CC1 ZINC001098570672 736122420 /nfs/dbraw/zinc/12/24/20/736122420.db2.gz GEMGLANDAMNVMB-INIZCTEOSA-N 1 1 340.464 0.737 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 ZINC000972420710 736163585 /nfs/dbraw/zinc/16/35/85/736163585.db2.gz ATGJYYJSYUMOCU-ZWKOTPCHSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001098571511 736179072 /nfs/dbraw/zinc/17/90/72/736179072.db2.gz SESGFXIKUSHJJZ-AWEZNQCLSA-N 1 1 333.436 0.312 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 ZINC000972430152 736183298 /nfs/dbraw/zinc/18/32/98/736183298.db2.gz AUBNTEDQPWOFEX-ZWKOTPCHSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 ZINC000972430152 736183301 /nfs/dbraw/zinc/18/33/01/736183301.db2.gz AUBNTEDQPWOFEX-ZWKOTPCHSA-N 1 1 333.432 0.229 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972436786 736189817 /nfs/dbraw/zinc/18/98/17/736189817.db2.gz DSOLNIPDNJDITJ-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972436786 736189820 /nfs/dbraw/zinc/18/98/20/736189820.db2.gz DSOLNIPDNJDITJ-MAUKXSAKSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4cncn4C3)C2)C1 ZINC000972441865 736204840 /nfs/dbraw/zinc/20/48/40/736204840.db2.gz VZKINNCWEPFELN-VQIMIIECSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4cncn4C3)C2)C1 ZINC000972441865 736204842 /nfs/dbraw/zinc/20/48/42/736204842.db2.gz VZKINNCWEPFELN-VQIMIIECSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 ZINC000972448647 736227153 /nfs/dbraw/zinc/22/71/53/736227153.db2.gz BMLWOZFFBAOGJQ-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 ZINC000972448647 736227155 /nfs/dbraw/zinc/22/71/55/736227155.db2.gz BMLWOZFFBAOGJQ-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972453337 736236524 /nfs/dbraw/zinc/23/65/24/736236524.db2.gz KOJJLIDBQYDCOP-SFHVURJKSA-N 1 1 346.431 0.617 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001078222675 782515588 /nfs/dbraw/zinc/51/55/88/782515588.db2.gz MCOPDVGTBNLDKK-BZUAXINKSA-N 1 1 337.464 0.905 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 ZINC000972458471 736252178 /nfs/dbraw/zinc/25/21/78/736252178.db2.gz JZBYUMFHPAJDHE-CRAIPNDOSA-N 1 1 333.432 0.372 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 ZINC000972458471 736252180 /nfs/dbraw/zinc/25/21/80/736252180.db2.gz JZBYUMFHPAJDHE-CRAIPNDOSA-N 1 1 333.432 0.372 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)COC)C[C@H]32)cc1 ZINC001114939651 736267583 /nfs/dbraw/zinc/26/75/83/736267583.db2.gz MEVYSEIBFWDUBP-BGTYHANMSA-N 1 1 344.411 0.366 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001022953524 736312083 /nfs/dbraw/zinc/31/20/83/736312083.db2.gz SCLYOCLENKPYCT-OKILXGFUSA-N 1 1 340.387 0.664 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](N[C@H](C)c3nncn3C)C2)CC1 ZINC001023128329 736523676 /nfs/dbraw/zinc/52/36/76/736523676.db2.gz ZOHAXHZAYDKKMG-BMFZPTHFSA-N 1 1 344.463 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)C3=COCCO3)C2)C1=O ZINC001023210073 736588345 /nfs/dbraw/zinc/58/83/45/736588345.db2.gz ACEMEYKANTZSHF-CABCVRRESA-N 1 1 349.431 0.490 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001023296009 736655564 /nfs/dbraw/zinc/65/55/64/736655564.db2.gz MXOVFBLUKZBNJX-SWLSCSKDSA-N 1 1 329.404 0.607 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001023296007 736655576 /nfs/dbraw/zinc/65/55/76/736655576.db2.gz MXOVFBLUKZBNJX-DOMZBBRYSA-N 1 1 329.404 0.607 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023297750 736660371 /nfs/dbraw/zinc/66/03/71/736660371.db2.gz NSWKPITZVMSKQK-CHWSQXEVSA-N 1 1 343.431 0.995 20 30 ECEDMO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@H]2OC)CC1 ZINC001213395030 736710562 /nfs/dbraw/zinc/71/05/62/736710562.db2.gz JSBAYGJLSKJDEW-RRFJBIMHSA-N 1 1 326.437 0.556 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@@H](C)OC)C1 ZINC001059846943 751376347 /nfs/dbraw/zinc/37/63/47/751376347.db2.gz IOXHOTOUVDYQPP-PMPSAXMXSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)[C@@H](C)OC)C1 ZINC001059846943 751376354 /nfs/dbraw/zinc/37/63/54/751376354.db2.gz IOXHOTOUVDYQPP-PMPSAXMXSA-N 1 1 335.448 0.474 20 30 ECEDMO N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001023411369 736794661 /nfs/dbraw/zinc/79/46/61/736794661.db2.gz DKKHRASTGMSJMO-RDJZCZTQSA-N 1 1 334.464 0.982 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001023427971 736822128 /nfs/dbraw/zinc/82/21/28/736822128.db2.gz XVIUEXSEIZYBRD-HZPDHXFCSA-N 1 1 327.432 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001023427969 736822390 /nfs/dbraw/zinc/82/23/90/736822390.db2.gz XVIUEXSEIZYBRD-CVEARBPZSA-N 1 1 327.432 0.907 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001023447705 736850392 /nfs/dbraw/zinc/85/03/92/736850392.db2.gz UEJQXGOSLLDQFD-GFCCVEGCSA-N 1 1 339.417 0.392 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC000972572357 736881858 /nfs/dbraw/zinc/88/18/58/736881858.db2.gz HKJOBDXQGYNMIN-MRXNPFEDSA-N 1 1 336.823 0.863 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC000972572357 736881860 /nfs/dbraw/zinc/88/18/60/736881860.db2.gz HKJOBDXQGYNMIN-MRXNPFEDSA-N 1 1 336.823 0.863 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001023509844 736933066 /nfs/dbraw/zinc/93/30/66/736933066.db2.gz AHEJCMPZPNJFBZ-GJZGRUSLSA-N 1 1 343.418 0.804 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)nn1 ZINC001023637049 737123427 /nfs/dbraw/zinc/12/34/27/737123427.db2.gz BPBHBGSQEYFBSV-LSDHHAIUSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001023640224 737131192 /nfs/dbraw/zinc/13/11/92/737131192.db2.gz AIHNBLPWEZIAMI-HUUCEWRRSA-N 1 1 345.447 0.947 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CCCCC(=O)NC)CC1 ZINC001098579680 737140193 /nfs/dbraw/zinc/14/01/93/737140193.db2.gz IYUKIGFKBFUZNH-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972627899 737148717 /nfs/dbraw/zinc/14/87/17/737148717.db2.gz LJHSOSOPLCWZKG-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972627899 737148720 /nfs/dbraw/zinc/14/87/20/737148720.db2.gz LJHSOSOPLCWZKG-LPHOPBHVSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)C2)C1 ZINC000972628058 737150775 /nfs/dbraw/zinc/15/07/75/737150775.db2.gz MUTMWILXXKEZCN-KXBFYZLASA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)C2)C1 ZINC000972628058 737150779 /nfs/dbraw/zinc/15/07/79/737150779.db2.gz MUTMWILXXKEZCN-KXBFYZLASA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 ZINC000972628058 737150782 /nfs/dbraw/zinc/15/07/82/737150782.db2.gz MUTMWILXXKEZCN-KXBFYZLASA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 ZINC000972628058 737150784 /nfs/dbraw/zinc/15/07/84/737150784.db2.gz MUTMWILXXKEZCN-KXBFYZLASA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628729 737153168 /nfs/dbraw/zinc/15/31/68/737153168.db2.gz VAPDKGVAQGEKFP-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628729 737153173 /nfs/dbraw/zinc/15/31/73/737153173.db2.gz VAPDKGVAQGEKFP-LPHOPBHVSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccn2C)C1 ZINC001111591113 737171511 /nfs/dbraw/zinc/17/15/11/737171511.db2.gz JREGEQFUJROLBL-VCBZYWHSSA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001023674224 737177844 /nfs/dbraw/zinc/17/78/44/737177844.db2.gz MZDMJGCWHSYFIX-LSDHHAIUSA-N 1 1 331.420 0.390 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001023675643 737184665 /nfs/dbraw/zinc/18/46/65/737184665.db2.gz ZGPJDQVECGMJII-HOTGVXAUSA-N 1 1 345.447 0.780 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972637888 737196933 /nfs/dbraw/zinc/19/69/33/737196933.db2.gz FGUPLVCYYNIFSH-KBXCAEBGSA-N 1 1 345.447 0.789 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972637888 737196936 /nfs/dbraw/zinc/19/69/36/737196936.db2.gz FGUPLVCYYNIFSH-KBXCAEBGSA-N 1 1 345.447 0.789 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001023709932 737228270 /nfs/dbraw/zinc/22/82/70/737228270.db2.gz FFTXUMULEZIECU-BBRMVZONSA-N 1 1 326.400 0.393 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972675830 737349087 /nfs/dbraw/zinc/34/90/87/737349087.db2.gz BRLUIOFOERLPJQ-KRWDZBQOSA-N 1 1 346.387 0.248 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972675830 737349091 /nfs/dbraw/zinc/34/90/91/737349091.db2.gz BRLUIOFOERLPJQ-KRWDZBQOSA-N 1 1 346.387 0.248 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023783747 737370763 /nfs/dbraw/zinc/37/07/63/737370763.db2.gz MZWSEAKCXCYAFS-JHJVBQTASA-N 1 1 343.855 0.405 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3noc4c3COCC4)C2)C1 ZINC000972683743 737373325 /nfs/dbraw/zinc/37/33/25/737373325.db2.gz PBUYHCOXHKRMMV-GOSISDBHSA-N 1 1 345.399 0.688 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3noc4c3COCC4)C2)C1 ZINC000972683743 737373332 /nfs/dbraw/zinc/37/33/32/737373332.db2.gz PBUYHCOXHKRMMV-GOSISDBHSA-N 1 1 345.399 0.688 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972692505 737398786 /nfs/dbraw/zinc/39/87/86/737398786.db2.gz PVHJBFWETYMJJH-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972692505 737398788 /nfs/dbraw/zinc/39/87/88/737398788.db2.gz PVHJBFWETYMJJH-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972693011 737398932 /nfs/dbraw/zinc/39/89/32/737398932.db2.gz UNNTYEBQYGSIMC-GOSISDBHSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001023907401 737473889 /nfs/dbraw/zinc/47/38/89/737473889.db2.gz VANPNNOTOUJXFS-ZBFHGGJFSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000972756317 737597469 /nfs/dbraw/zinc/59/74/69/737597469.db2.gz KPUVDFBBAOFWBU-UKRRQHHQSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000972756315 737597606 /nfs/dbraw/zinc/59/76/06/737597606.db2.gz KPUVDFBBAOFWBU-DZGCQCFKSA-N 1 1 342.399 0.128 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)COC[C@@H]2CCCO2)CC1 ZINC001098584337 737715006 /nfs/dbraw/zinc/71/50/06/737715006.db2.gz SZSNFOVDHBFUHN-KRWDZBQOSA-N 1 1 338.448 0.491 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCOC3)C[C@H]21 ZINC000972835465 737759645 /nfs/dbraw/zinc/75/96/45/737759645.db2.gz VHQICRRUZXMSKM-LTIDMASMSA-N 1 1 345.443 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCOC3)C[C@H]21 ZINC000972835465 737759648 /nfs/dbraw/zinc/75/96/48/737759648.db2.gz VHQICRRUZXMSKM-LTIDMASMSA-N 1 1 345.443 0.180 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCN2CCNC2=O)[nH]1 ZINC001024396965 737939216 /nfs/dbraw/zinc/93/92/16/737939216.db2.gz XMMMTWLOLDSORY-AWEZNQCLSA-N 1 1 344.419 0.496 20 30 ECEDMO CNC(=O)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)[C@H]21 ZINC001087282081 738100515 /nfs/dbraw/zinc/10/05/15/738100515.db2.gz RBYLZPBQSPSVBM-WQVCFCJDSA-N 1 1 343.431 0.851 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CS(=O)(=O)C1 ZINC001087287735 738118051 /nfs/dbraw/zinc/11/80/51/738118051.db2.gz MDMHOAYTRVVGSE-HZSPNIEDSA-N 1 1 326.462 0.822 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CS(=O)(=O)C1 ZINC001087287735 738118052 /nfs/dbraw/zinc/11/80/52/738118052.db2.gz MDMHOAYTRVVGSE-HZSPNIEDSA-N 1 1 326.462 0.822 20 30 ECEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001024581177 738128010 /nfs/dbraw/zinc/12/80/10/738128010.db2.gz DNIPCEZAOKTICX-CYBMUJFWSA-N 1 1 344.423 0.854 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1CCCNC1=O ZINC001087293731 738136705 /nfs/dbraw/zinc/13/67/05/738136705.db2.gz JDRUXMLRXXMAFQ-VNQPRFMTSA-N 1 1 332.448 0.640 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CN3CCCCCC3=O)[C@H]2C1 ZINC001083269395 738160472 /nfs/dbraw/zinc/16/04/72/738160472.db2.gz BCLKKXQAJFRCEA-JKSUJKDBSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)C(C)(C)[C@H]21 ZINC001087305367 738198282 /nfs/dbraw/zinc/19/82/82/738198282.db2.gz RODBGJDPABQSQN-UGFHNGPFSA-N 1 1 328.416 0.966 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001024650738 738199595 /nfs/dbraw/zinc/19/95/95/738199595.db2.gz KEBQBEPPFBACCO-XHSDSOJGSA-N 1 1 335.448 0.616 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001024667059 738208018 /nfs/dbraw/zinc/20/80/18/738208018.db2.gz CMCHVCZWEVIUNA-AWEZNQCLSA-N 1 1 330.432 0.959 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC(=O)NC(=O)C3)C(C)(C)[C@H]21 ZINC001087310037 738243537 /nfs/dbraw/zinc/24/35/37/738243537.db2.gz PWBNTPFIRACXIB-COXVUDFISA-N 1 1 345.443 0.668 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C(C)(C)[C@@H]21 ZINC001087310562 738246782 /nfs/dbraw/zinc/24/67/82/738246782.db2.gz YTCZHQLCEUULPS-KBRIMQKVSA-N 1 1 345.443 0.668 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@@H]21 ZINC001087317273 738283379 /nfs/dbraw/zinc/28/33/79/738283379.db2.gz FZRIBWINIFUXQW-DAXOMENPSA-N 1 1 346.431 0.167 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccncc2C#N)C1 ZINC001104578927 739009394 /nfs/dbraw/zinc/00/93/94/739009394.db2.gz GJRNPMGXGIYJSK-XJKSGUPXSA-N 1 1 331.420 0.355 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2ccncc2C#N)C1 ZINC001104578927 739009399 /nfs/dbraw/zinc/00/93/99/739009399.db2.gz GJRNPMGXGIYJSK-XJKSGUPXSA-N 1 1 331.420 0.355 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCCOC2)C1 ZINC000973298355 739065124 /nfs/dbraw/zinc/06/51/24/739065124.db2.gz FQEOINIUDRRNEB-VQHPVUNQSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCCOC2)C1 ZINC000973298355 739065128 /nfs/dbraw/zinc/06/51/28/739065128.db2.gz FQEOINIUDRRNEB-VQHPVUNQSA-N 1 1 347.459 0.664 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000973354722 739140059 /nfs/dbraw/zinc/14/00/59/739140059.db2.gz BNTAXTRFDUYMNF-VGWMRTNUSA-N 1 1 347.459 0.969 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104590126 739146098 /nfs/dbraw/zinc/14/60/98/739146098.db2.gz LSGHZCSRNWLFRF-KBPBESRZSA-N 1 1 330.436 0.903 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)N(C)C)nn1 ZINC001028187171 751418414 /nfs/dbraw/zinc/41/84/14/751418414.db2.gz DRBTWGWCYCWIFG-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(C)C)nn1 ZINC001028187171 751418419 /nfs/dbraw/zinc/41/84/19/751418419.db2.gz DRBTWGWCYCWIFG-QWHCGFSZSA-N 1 1 334.424 0.135 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2CCn2cccn2)nn1 ZINC001028187907 751420094 /nfs/dbraw/zinc/42/00/94/751420094.db2.gz QBVCIXXUGHFVCQ-CQSZACIVSA-N 1 1 329.408 0.555 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)NC2CC2)nn1 ZINC001028187954 751420167 /nfs/dbraw/zinc/42/01/67/751420167.db2.gz RBFHEQVHGBYVFD-OCCSQVGLSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2CC2)nn1 ZINC001028187954 751420171 /nfs/dbraw/zinc/42/01/71/751420171.db2.gz RBFHEQVHGBYVFD-OCCSQVGLSA-N 1 1 346.435 0.325 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCc2cnn(C)c2)nn1 ZINC001028188097 751421062 /nfs/dbraw/zinc/42/10/62/751421062.db2.gz TUCJBVUWWNMVDN-OAHLLOKOSA-N 1 1 343.435 0.635 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CCN2CCCC2=O)CC1 ZINC000981989721 751422801 /nfs/dbraw/zinc/42/28/01/751422801.db2.gz FXPJDILERRUWHN-CVEARBPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ocnc2CC)C1 ZINC000973410353 739223257 /nfs/dbraw/zinc/22/32/57/739223257.db2.gz FTZAJGWNORXXSR-YDHLFZDLSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ocnc2CC)C1 ZINC000973410353 739223261 /nfs/dbraw/zinc/22/32/61/739223261.db2.gz FTZAJGWNORXXSR-YDHLFZDLSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000973410837 739224758 /nfs/dbraw/zinc/22/47/58/739224758.db2.gz VLHYXTZSPJYKAV-VQHPVUNQSA-N 1 1 346.475 0.189 20 30 ECEDMO C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104623132 739257065 /nfs/dbraw/zinc/25/70/65/739257065.db2.gz UAHUIUFTTGTLKU-CYBMUJFWSA-N 1 1 332.408 0.329 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](CC)C(N)=O)nn1 ZINC001028192981 751433273 /nfs/dbraw/zinc/43/32/73/751433273.db2.gz SRSNXWGOEWLEJV-JSGCOSHPSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](CC)C(N)=O)nn1 ZINC001028192981 751433275 /nfs/dbraw/zinc/43/32/75/751433275.db2.gz SRSNXWGOEWLEJV-JSGCOSHPSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cnn(C)c2)nn1 ZINC001028193015 751433349 /nfs/dbraw/zinc/43/33/49/751433349.db2.gz UNOIZQGYGOHZAP-OAHLLOKOSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cnn(C)c2)nn1 ZINC001028193015 751433352 /nfs/dbraw/zinc/43/33/52/751433352.db2.gz UNOIZQGYGOHZAP-OAHLLOKOSA-N 1 1 343.435 0.982 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(CCOC)nn2)C1 ZINC001025411766 739431512 /nfs/dbraw/zinc/43/15/12/739431512.db2.gz KEFVPPUDGRLLLG-LSDHHAIUSA-N 1 1 333.436 0.778 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000988012426 751451406 /nfs/dbraw/zinc/45/14/06/751451406.db2.gz GVFWIEUGXANABC-UONOGXRCSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001025471895 739615788 /nfs/dbraw/zinc/61/57/88/739615788.db2.gz JXHXAKJIUCTDSE-OLZOCXBDSA-N 1 1 342.399 0.876 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001025556205 739714866 /nfs/dbraw/zinc/71/48/66/739714866.db2.gz SUWXPNYQSFYMPN-KBPBESRZSA-N 1 1 348.451 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001025559687 739720342 /nfs/dbraw/zinc/72/03/42/739720342.db2.gz VIWLCRTWOISALG-KBPBESRZSA-N 1 1 341.415 0.795 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2nc3nccc(C)n3n2)C1 ZINC001025604673 739769396 /nfs/dbraw/zinc/76/93/96/739769396.db2.gz BHNBXZWGIUNNOA-KBPBESRZSA-N 1 1 326.404 0.896 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2nccnc2C(N)=O)C1 ZINC001025615010 739777536 /nfs/dbraw/zinc/77/75/36/739777536.db2.gz RHQVJSKBUSMUQN-STQMWFEESA-N 1 1 331.420 0.982 20 30 ECEDMO C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCOCC2=O)C1 ZINC001111777249 739787327 /nfs/dbraw/zinc/78/73/27/739787327.db2.gz WLONOICIOWXJDU-YJBOKZPZSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001025630058 739795670 /nfs/dbraw/zinc/79/56/70/739795670.db2.gz OMEYLQXYOCABBJ-STQMWFEESA-N 1 1 334.424 0.170 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)C1 ZINC001058656430 739832054 /nfs/dbraw/zinc/83/20/54/739832054.db2.gz CTVQCDXZMMHIRJ-CABCVRRESA-N 1 1 338.452 0.061 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC(=O)N(C)C3)[C@H]2C1 ZINC001083285626 739859654 /nfs/dbraw/zinc/85/96/54/739859654.db2.gz YIGCARRHZAWUFE-HRCADAONSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001025686934 739863191 /nfs/dbraw/zinc/86/31/91/739863191.db2.gz KEWKZNOBUDNRSA-USXIJHARSA-N 1 1 349.475 0.763 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cccc2)C1=O ZINC001025739771 739909107 /nfs/dbraw/zinc/90/91/07/739909107.db2.gz PMCISAGKJLEEGR-UUAJXVIYSA-N 1 1 342.443 0.882 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCCN2C)C1=O ZINC001025820289 740007243 /nfs/dbraw/zinc/00/72/43/740007243.db2.gz JUYGZIHJZNSZIY-ALYAQQCSSA-N 1 1 346.475 0.304 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCCN2C)C1=O ZINC001025820289 740007246 /nfs/dbraw/zinc/00/72/46/740007246.db2.gz JUYGZIHJZNSZIY-ALYAQQCSSA-N 1 1 346.475 0.304 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N[C@@H](CC(C)C)C1 ZINC001025847286 740018934 /nfs/dbraw/zinc/01/89/34/740018934.db2.gz AUJDTZSYVJQPAQ-OCABDXPQSA-N 1 1 331.460 0.997 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001070003501 790301630 /nfs/dbraw/zinc/30/16/30/790301630.db2.gz UTJLUAFPPZULNX-LEOABGAYSA-N 1 1 331.420 0.478 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CCOC2)C1 ZINC000988089542 751518495 /nfs/dbraw/zinc/51/84/95/751518495.db2.gz WNABOTWZRQMBNO-ZACQAIPSSA-N 1 1 347.459 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CCOC2)C1 ZINC000988089542 751518498 /nfs/dbraw/zinc/51/84/98/751518498.db2.gz WNABOTWZRQMBNO-ZACQAIPSSA-N 1 1 347.459 0.427 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000988094295 751525262 /nfs/dbraw/zinc/52/52/62/751525262.db2.gz XNHBKGJULBGGFZ-XUJVJEKNSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006575708 751537440 /nfs/dbraw/zinc/53/74/40/751537440.db2.gz NUPJXFMCLVFREP-OIISXLGYSA-N 1 1 346.475 0.141 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001026096086 740373995 /nfs/dbraw/zinc/37/39/95/740373995.db2.gz PPGGJPJHKWXJES-AYYATWNNSA-N 1 1 335.448 0.539 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001026096091 740374213 /nfs/dbraw/zinc/37/42/13/740374213.db2.gz PPGGJPJHKWXJES-IBPCWRJOSA-N 1 1 335.448 0.539 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001026096505 740374835 /nfs/dbraw/zinc/37/48/35/740374835.db2.gz IEGIWMGZHDWBAJ-ROIMOXLHSA-N 1 1 349.475 0.881 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026101777 740376991 /nfs/dbraw/zinc/37/69/91/740376991.db2.gz GHKNIWBEDZNQKN-NYXISSTPSA-N 1 1 347.459 0.635 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059856590 751553407 /nfs/dbraw/zinc/55/34/07/751553407.db2.gz UHPXBPVPLDXZIF-BRWVUGGUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059856590 751553414 /nfs/dbraw/zinc/55/34/14/751553414.db2.gz UHPXBPVPLDXZIF-BRWVUGGUSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000982070136 751560725 /nfs/dbraw/zinc/56/07/25/751560725.db2.gz KZWKSOWMJXBFGW-UHFFFAOYSA-N 1 1 334.420 0.198 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000973944122 740649293 /nfs/dbraw/zinc/64/92/93/740649293.db2.gz CMKPDJKDZIKTAV-WCVJEAGWSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC000973944122 740649298 /nfs/dbraw/zinc/64/92/98/740649298.db2.gz CMKPDJKDZIKTAV-WCVJEAGWSA-N 1 1 333.432 0.274 20 30 ECEDMO C[C@@H](CNc1ncccc1C#N)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104869312 740767419 /nfs/dbraw/zinc/76/74/19/740767419.db2.gz SBKIYVOZYBMDHD-GZBFAFLISA-N 1 1 331.420 0.931 20 30 ECEDMO C[C@@H](CNc1ncccc1C#N)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104869312 740767421 /nfs/dbraw/zinc/76/74/21/740767421.db2.gz SBKIYVOZYBMDHD-GZBFAFLISA-N 1 1 331.420 0.931 20 30 ECEDMO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001104871060 740772314 /nfs/dbraw/zinc/77/23/14/740772314.db2.gz HVRCOHVJDRTMGJ-QJPTWQEYSA-N 1 1 325.376 0.556 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cccn3)C2)nn1 ZINC001098611524 740889940 /nfs/dbraw/zinc/88/99/40/740889940.db2.gz KLSURZGTSXAPFA-HNNXBMFYSA-N 1 1 329.408 0.614 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC(=O)N1CCCCC1 ZINC001038365711 741011246 /nfs/dbraw/zinc/01/12/46/741011246.db2.gz CDZPCPLFXRKSER-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC(=O)N1CCCCC1 ZINC001038365711 741011247 /nfs/dbraw/zinc/01/12/47/741011247.db2.gz CDZPCPLFXRKSER-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4nnn(C)n4)[C@@H]3C2)C1 ZINC001026356214 741028095 /nfs/dbraw/zinc/02/80/95/741028095.db2.gz OJJBMDLGSGRRBZ-BFHYXJOUSA-N 1 1 330.436 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cnnn1CC ZINC001038366329 741069078 /nfs/dbraw/zinc/06/90/78/741069078.db2.gz GVEJEEGEVAVZTH-ZBFHGGJFSA-N 1 1 330.436 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cnnn1CC ZINC001038366329 741069082 /nfs/dbraw/zinc/06/90/82/741069082.db2.gz GVEJEEGEVAVZTH-ZBFHGGJFSA-N 1 1 330.436 0.086 20 30 ECEDMO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C(F)(F)F ZINC001112068727 741077720 /nfs/dbraw/zinc/07/77/20/741077720.db2.gz NHSHSJLFYRQLRE-HBNTYKKESA-N 1 1 334.342 0.603 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000974264970 741196334 /nfs/dbraw/zinc/19/63/34/741196334.db2.gz HGVGCFQRVWIQJQ-ZNMIVQPWSA-N 1 1 343.431 0.501 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000974264970 741196336 /nfs/dbraw/zinc/19/63/36/741196336.db2.gz HGVGCFQRVWIQJQ-ZNMIVQPWSA-N 1 1 343.431 0.501 20 30 ECEDMO C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001167742722 741265425 /nfs/dbraw/zinc/26/54/25/741265425.db2.gz UVOSJVPFBXRSBA-UHFFFAOYSA-N 1 1 347.463 0.866 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3cocn3)C2)nn1 ZINC001105190253 741453769 /nfs/dbraw/zinc/45/37/69/741453769.db2.gz UUERRXLSGPMCDD-UHFFFAOYSA-N 1 1 332.364 0.255 20 30 ECEDMO CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001105218140 741483026 /nfs/dbraw/zinc/48/30/26/741483026.db2.gz ZVYUKTGFVOOLMM-UHFFFAOYSA-N 1 1 343.391 0.301 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)n3cncn3)C2)nn1 ZINC001105216323 741488370 /nfs/dbraw/zinc/48/83/70/741488370.db2.gz RUYFUKSJYJHNGY-GFCCVEGCSA-N 1 1 330.396 0.180 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC=C(C)C)nn2)C1 ZINC001105240286 741530821 /nfs/dbraw/zinc/53/08/21/741530821.db2.gz GTGJQPLADGDXPZ-CQSZACIVSA-N 1 1 331.420 0.756 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105240436 741531702 /nfs/dbraw/zinc/53/17/02/741531702.db2.gz NGURYJRBJNQPLG-HNNXBMFYSA-N 1 1 331.424 0.147 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)Cn3ccc(C)n3)C2)nn1 ZINC001105249377 741553320 /nfs/dbraw/zinc/55/33/20/741553320.db2.gz SCUQVTDNONIMKW-CYBMUJFWSA-N 1 1 343.435 0.778 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3ccncn3)C2)nn1 ZINC001105252590 741562620 /nfs/dbraw/zinc/56/26/20/741562620.db2.gz YLFFLHHHSKOMTJ-UHFFFAOYSA-N 1 1 341.419 0.750 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CN(C)C(=O)C(C)C)C2)nn1 ZINC001105253771 741566857 /nfs/dbraw/zinc/56/68/57/741566857.db2.gz CRMWIYSGHIMMDU-UHFFFAOYSA-N 1 1 334.424 0.051 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCn3ccccc3=O)C2)nn1 ZINC001105256642 741571679 /nfs/dbraw/zinc/57/16/79/741571679.db2.gz LPTNSXBHSIKGSF-UHFFFAOYSA-N 1 1 342.403 0.189 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)nn1 ZINC001105256667 741571771 /nfs/dbraw/zinc/57/17/71/741571771.db2.gz MXTTUCVQBQMZDP-HNNXBMFYSA-N 1 1 344.463 0.362 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCOC[C@@H]3OC)C2)nn1 ZINC001105259911 741582630 /nfs/dbraw/zinc/58/26/30/741582630.db2.gz RMILAYANJKMGOK-BBRMVZONSA-N 1 1 349.435 0.379 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CN(C)C)on3)C2)nn1 ZINC001105275392 741621343 /nfs/dbraw/zinc/62/13/43/741621343.db2.gz OSRYRNDEPVKGBB-UHFFFAOYSA-N 1 1 345.407 0.300 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(OC)nc3)C2)nn1 ZINC001105278920 741633082 /nfs/dbraw/zinc/63/30/82/741633082.db2.gz ZBFHDVYPWNWMLS-UHFFFAOYSA-N 1 1 328.376 0.654 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)nn1 ZINC001105280777 741636767 /nfs/dbraw/zinc/63/67/67/741636767.db2.gz CIEQTCSNSZKLPL-CQSZACIVSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CCn3cccn3)nn2)C1 ZINC001105297236 741674378 /nfs/dbraw/zinc/67/43/78/741674378.db2.gz KASLIUCTCJDIKZ-UHFFFAOYSA-N 1 1 343.435 0.860 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC000982157030 751664151 /nfs/dbraw/zinc/66/41/51/751664151.db2.gz BSMUNZGWSLWGNF-MRXNPFEDSA-N 1 1 335.448 0.734 20 30 ECEDMO CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974473999 741781189 /nfs/dbraw/zinc/78/11/89/741781189.db2.gz WLHCPMCXLMTRID-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1=O ZINC000974473999 741781192 /nfs/dbraw/zinc/78/11/92/741781192.db2.gz WLHCPMCXLMTRID-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1 ZINC000982173444 751682850 /nfs/dbraw/zinc/68/28/50/751682850.db2.gz MWRWAXOPYWBSOR-IAGOWNOFSA-N 1 1 330.432 0.846 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974645284 741965195 /nfs/dbraw/zinc/96/51/95/741965195.db2.gz SBEBVEVURJGNQI-GJZGRUSLSA-N 1 1 335.448 0.331 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C(C)(C)C1 ZINC000974738472 742137034 /nfs/dbraw/zinc/13/70/34/742137034.db2.gz WJVSKGXGTFRNSJ-HNNXBMFYSA-N 1 1 328.416 0.573 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C(C)(C)C1 ZINC000974791735 742194649 /nfs/dbraw/zinc/19/46/49/742194649.db2.gz QNTXPGAYAOEBGW-HNNXBMFYSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C(C)(C)C1 ZINC000974791735 742194651 /nfs/dbraw/zinc/19/46/51/742194651.db2.gz QNTXPGAYAOEBGW-HNNXBMFYSA-N 1 1 329.400 0.624 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000974859641 742275456 /nfs/dbraw/zinc/27/54/56/742275456.db2.gz BWERBMXNZCFXQB-CQSZACIVSA-N 1 1 327.388 0.404 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000974859641 742275461 /nfs/dbraw/zinc/27/54/61/742275461.db2.gz BWERBMXNZCFXQB-CQSZACIVSA-N 1 1 327.388 0.404 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3[nH]nnc3C)C(C)(C)C2)C1=O ZINC000974894070 742301828 /nfs/dbraw/zinc/30/18/28/742301828.db2.gz AWGSGUDRLJTKRJ-OLZOCXBDSA-N 1 1 346.435 0.340 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3[nH]nnc3C)C(C)(C)C2)C1=O ZINC000974894070 742301833 /nfs/dbraw/zinc/30/18/33/742301833.db2.gz AWGSGUDRLJTKRJ-OLZOCXBDSA-N 1 1 346.435 0.340 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)c1 ZINC000975011427 742446320 /nfs/dbraw/zinc/44/63/20/742446320.db2.gz KYBNKNWXGRZJOJ-CJNGLKHVSA-N 1 1 342.443 0.980 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)c1 ZINC000975011427 742446321 /nfs/dbraw/zinc/44/63/21/742446321.db2.gz KYBNKNWXGRZJOJ-CJNGLKHVSA-N 1 1 342.443 0.980 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001027075558 742491833 /nfs/dbraw/zinc/49/18/33/742491833.db2.gz VQNXFGNPZYIJBR-MCIONIFRSA-N 1 1 349.435 0.665 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncccn2)[C@H]1C ZINC001020513222 751738439 /nfs/dbraw/zinc/73/84/39/751738439.db2.gz OGEUKMIXIXMGSR-KKUMJFAQSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncccn2)[C@H]1C ZINC001020513222 751738442 /nfs/dbraw/zinc/73/84/42/751738442.db2.gz OGEUKMIXIXMGSR-KKUMJFAQSA-N 1 1 341.415 0.293 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000975213208 742610489 /nfs/dbraw/zinc/61/04/89/742610489.db2.gz PSLQBYJKHFKFGS-DJIMGWMZSA-N 1 1 329.444 0.943 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@]2(C)C1 ZINC000982236686 751747089 /nfs/dbraw/zinc/74/70/89/751747089.db2.gz NXVSUJICEZBFQU-DTDBQYNISA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@]2(C)C1 ZINC000982236687 751747331 /nfs/dbraw/zinc/74/73/31/751747331.db2.gz NXVSUJICEZBFQU-IHETXDGRSA-N 1 1 332.448 0.937 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000975350203 742743859 /nfs/dbraw/zinc/74/38/59/742743859.db2.gz JCBFEPIORRJPKO-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000975350203 742743861 /nfs/dbraw/zinc/74/38/61/742743861.db2.gz JCBFEPIORRJPKO-HOCLYGCPSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC000975362162 742753460 /nfs/dbraw/zinc/75/34/60/742753460.db2.gz RXGNMCJBUWRGNY-CABCVRRESA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC000975362162 742753465 /nfs/dbraw/zinc/75/34/65/742753465.db2.gz RXGNMCJBUWRGNY-CABCVRRESA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2cnco2)C1 ZINC000975420187 742830512 /nfs/dbraw/zinc/83/05/12/742830512.db2.gz UYQORVUZSTVHPG-CABCVRRESA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2cnco2)C1 ZINC000975420187 742830518 /nfs/dbraw/zinc/83/05/18/742830518.db2.gz UYQORVUZSTVHPG-CABCVRRESA-N 1 1 344.415 0.741 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028935390 742914045 /nfs/dbraw/zinc/91/40/45/742914045.db2.gz BSLIXKYXEPJQTA-LRDDRELGSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028935390 742914054 /nfs/dbraw/zinc/91/40/54/742914054.db2.gz BSLIXKYXEPJQTA-LRDDRELGSA-N 1 1 344.390 0.914 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)cn1 ZINC001028936291 742923194 /nfs/dbraw/zinc/92/31/94/742923194.db2.gz TVZYTPYSPZKXID-OAHLLOKOSA-N 1 1 340.427 0.737 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001028976633 743042827 /nfs/dbraw/zinc/04/28/27/743042827.db2.gz MMFIXZJQZSDLET-LBPRGKRZSA-N 1 1 328.844 0.968 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001028976633 743042833 /nfs/dbraw/zinc/04/28/33/743042833.db2.gz MMFIXZJQZSDLET-LBPRGKRZSA-N 1 1 328.844 0.968 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)CN1C(=O)CS(C)(=O)=O ZINC000988283429 751793231 /nfs/dbraw/zinc/79/32/31/751793231.db2.gz ULNAZKSAUAGHNQ-IUODEOHRSA-N 1 1 335.429 0.682 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(Cc3cncn3C)C2)CC1 ZINC001029002375 743155637 /nfs/dbraw/zinc/15/56/37/743155637.db2.gz QGOWHRZTCMWVCW-MRXNPFEDSA-N 1 1 343.475 0.703 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000997090405 743220119 /nfs/dbraw/zinc/22/01/19/743220119.db2.gz PCKTZCWMNJKMQO-MRXNPFEDSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000997234652 743384458 /nfs/dbraw/zinc/38/44/58/743384458.db2.gz ZFXVTCZHFWNMAB-QGZVFWFLSA-N 1 1 325.412 0.632 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COCC(F)F)C2)nn1 ZINC001098694704 743466723 /nfs/dbraw/zinc/46/67/23/743466723.db2.gz HJCSQVOIFKHSRH-LBPRGKRZSA-N 1 1 329.351 0.609 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn(CCOC)nn3)C[C@@]2(C)C1 ZINC000982276135 751840473 /nfs/dbraw/zinc/84/04/73/751840473.db2.gz NKXOUQBRHCNMHK-CALCHBBNSA-N 1 1 333.436 0.895 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976322066 743813852 /nfs/dbraw/zinc/81/38/52/743813852.db2.gz GTPOBSSPLGRKCI-CLWVCHIJSA-N 1 1 341.415 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C1CC1 ZINC000976339910 743836279 /nfs/dbraw/zinc/83/62/79/743836279.db2.gz ZYIDKGWTOSUDJX-BTYMGIQYSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C1CC1 ZINC000976339910 743836284 /nfs/dbraw/zinc/83/62/84/743836284.db2.gz ZYIDKGWTOSUDJX-BTYMGIQYSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1(C)C ZINC000976382586 743880665 /nfs/dbraw/zinc/88/06/65/743880665.db2.gz OGVITMDMXLLKLF-XFIYOXNOSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1(C)C ZINC000976382586 743880666 /nfs/dbraw/zinc/88/06/66/743880666.db2.gz OGVITMDMXLLKLF-XFIYOXNOSA-N 1 1 329.444 0.703 20 30 ECEDMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027354514 743896217 /nfs/dbraw/zinc/89/62/17/743896217.db2.gz GGXVNDQAEVQTBH-AWEZNQCLSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027354514 743896221 /nfs/dbraw/zinc/89/62/21/743896221.db2.gz GGXVNDQAEVQTBH-AWEZNQCLSA-N 1 1 329.404 0.655 20 30 ECEDMO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@@H+](CC(=O)NC)CC1 ZINC000997979953 743914416 /nfs/dbraw/zinc/91/44/16/743914416.db2.gz ABMLDCWDYNVDHR-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO C[N@H+]([C@@H]1CCC(=O)NC1=O)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027355389 743921578 /nfs/dbraw/zinc/92/15/78/743921578.db2.gz VGGWVHYIDQUFOL-GXTWGEPZSA-N 1 1 343.387 0.228 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(C[NH2+]Cc3nnn(C)n3)CC2)c1 ZINC000998067370 743956490 /nfs/dbraw/zinc/95/64/90/743956490.db2.gz XTHMEKQRHRACRC-UHFFFAOYSA-N 1 1 339.403 0.228 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC000998186321 744037500 /nfs/dbraw/zinc/03/75/00/744037500.db2.gz FXARYQPANPWUCA-QZTJIDSGSA-N 1 1 349.475 0.960 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001027373443 744038884 /nfs/dbraw/zinc/03/88/84/744038884.db2.gz LZJGKLDUBIEBOT-LSDHHAIUSA-N 1 1 329.404 0.653 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000998195447 744043264 /nfs/dbraw/zinc/04/32/64/744043264.db2.gz JQBWTZJJPMWPJO-CQSZACIVSA-N 1 1 346.431 0.826 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1 ZINC000976538991 744045157 /nfs/dbraw/zinc/04/51/57/744045157.db2.gz ZSDNFHBHJIBYCN-CXTNEJHOSA-N 1 1 327.388 0.025 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001020599821 751882873 /nfs/dbraw/zinc/88/28/73/751882873.db2.gz UGRHPZBKSKAEBO-UKMLZYKCSA-N 1 1 346.431 0.888 20 30 ECEDMO C[N@@H+]([C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@H]1CCC(=O)NC1=O ZINC001027375958 744055524 /nfs/dbraw/zinc/05/55/24/744055524.db2.gz ZZFOLZPAUHPZCW-KGLIPLIRSA-N 1 1 343.387 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@]2(C)CCCOC2)C1 ZINC000998462999 744180231 /nfs/dbraw/zinc/18/02/31/744180231.db2.gz IDWZIBCXKFTTAF-MAUKXSAKSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@]2(C)CCCOC2)C1 ZINC000998462999 744180234 /nfs/dbraw/zinc/18/02/34/744180234.db2.gz IDWZIBCXKFTTAF-MAUKXSAKSA-N 1 1 333.432 0.228 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000976674871 744185405 /nfs/dbraw/zinc/18/54/05/744185405.db2.gz LNVIOSWKIYRAEW-DKBOKBLXSA-N 1 1 327.388 0.493 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001027410801 744216975 /nfs/dbraw/zinc/21/69/75/744216975.db2.gz ZKLZIOGYBCPLCJ-KBPBESRZSA-N 1 1 331.420 0.871 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@]2(C)C[N@@H+](CC(N)=O)C[C@]2(C)C1 ZINC000982296188 751899463 /nfs/dbraw/zinc/89/94/63/751899463.db2.gz MVFFJCQDEQYMLH-HDICACEKSA-N 1 1 330.432 0.943 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@]2(C)C[N@H+](CC(N)=O)C[C@]2(C)C1 ZINC000982296188 751899472 /nfs/dbraw/zinc/89/94/72/751899472.db2.gz MVFFJCQDEQYMLH-HDICACEKSA-N 1 1 330.432 0.943 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC000998754821 744316115 /nfs/dbraw/zinc/31/61/15/744316115.db2.gz PTQYKKTVJJXGIL-QWHCGFSZSA-N 1 1 347.423 0.265 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1 ZINC000976862070 744414346 /nfs/dbraw/zinc/41/43/46/744414346.db2.gz OMFRHXGQBUCDRB-HVOFVXBASA-N 1 1 341.415 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2cnon2)C1 ZINC001027446565 744486498 /nfs/dbraw/zinc/48/64/98/744486498.db2.gz NQCDCLFVCQEEQS-CVEARBPZSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2cnon2)C1 ZINC001027446565 744486500 /nfs/dbraw/zinc/48/65/00/744486500.db2.gz NQCDCLFVCQEEQS-CVEARBPZSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CC2=CCOCC2)C1 ZINC000999133676 744527834 /nfs/dbraw/zinc/52/78/34/744527834.db2.gz CULHOWYUNXUMFV-INIZCTEOSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CC2=CCOCC2)C1 ZINC000999133676 744527837 /nfs/dbraw/zinc/52/78/37/744527837.db2.gz CULHOWYUNXUMFV-INIZCTEOSA-N 1 1 331.416 0.148 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2conc2CC)C1 ZINC000999203656 744564626 /nfs/dbraw/zinc/56/46/26/744564626.db2.gz GDSPIAPCZUHGNF-HNNXBMFYSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2conc2CC)C1 ZINC000999203656 744564628 /nfs/dbraw/zinc/56/46/28/744564628.db2.gz GDSPIAPCZUHGNF-HNNXBMFYSA-N 1 1 330.388 0.275 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nncs2)C1 ZINC000999391653 744672161 /nfs/dbraw/zinc/67/21/61/744672161.db2.gz MWXCFLAIOHCUDA-KGLIPLIRSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nncs2)C1 ZINC000999391653 744672162 /nfs/dbraw/zinc/67/21/62/744672162.db2.gz MWXCFLAIOHCUDA-KGLIPLIRSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncoc2C(C)C)C1 ZINC000999657497 744820704 /nfs/dbraw/zinc/82/07/04/744820704.db2.gz XOXITGCWTKZRKK-AWEZNQCLSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncoc2C(C)C)C1 ZINC000999657497 744820707 /nfs/dbraw/zinc/82/07/07/744820707.db2.gz XOXITGCWTKZRKK-AWEZNQCLSA-N 1 1 344.415 0.836 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)CC2(C)C)nn1 ZINC000977273264 744828191 /nfs/dbraw/zinc/82/81/91/744828191.db2.gz LZQNIFVLFQGGAX-OAHLLOKOSA-N 1 1 343.435 0.801 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C(C)(C)C1 ZINC000977300458 744845811 /nfs/dbraw/zinc/84/58/11/744845811.db2.gz FPDUCRKEAABKSY-AWEZNQCLSA-N 1 1 348.451 0.582 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnco3)C2)C1=O ZINC001027513940 744913212 /nfs/dbraw/zinc/91/32/12/744913212.db2.gz XOAMESUKWUEJGU-KBPBESRZSA-N 1 1 332.404 0.998 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cn[nH]c1 ZINC000977393397 744935265 /nfs/dbraw/zinc/93/52/65/744935265.db2.gz BVYKZUULTVJJRT-GJZGRUSLSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cn[nH]c1 ZINC000977393397 744935268 /nfs/dbraw/zinc/93/52/68/744935268.db2.gz BVYKZUULTVJJRT-GJZGRUSLSA-N 1 1 329.404 0.180 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000977468485 745056774 /nfs/dbraw/zinc/05/67/74/745056774.db2.gz MSKJDKGKMGVTSW-JTQLQIEISA-N 1 1 334.376 0.360 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC000977470760 745060529 /nfs/dbraw/zinc/06/05/29/745060529.db2.gz BNLUMUDKCCUQRZ-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 ZINC000999935616 745068646 /nfs/dbraw/zinc/06/86/46/745068646.db2.gz BIKGZDHGYMIPLW-AWEZNQCLSA-N 1 1 331.376 0.053 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc[n+]([O-])cc3)nn2)C1 ZINC000999949298 745085152 /nfs/dbraw/zinc/08/51/52/745085152.db2.gz ICFBPGBBLBRSMM-INIZCTEOSA-N 1 1 340.387 0.112 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn[nH]c3)nn2)C1 ZINC000999953216 745090819 /nfs/dbraw/zinc/09/08/19/745090819.db2.gz AGMDUWKQROBORJ-ZDUSSCGKSA-N 1 1 335.799 0.931 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cn[nH]c3)nn2)C1 ZINC000999953216 745090824 /nfs/dbraw/zinc/09/08/24/745090824.db2.gz AGMDUWKQROBORJ-ZDUSSCGKSA-N 1 1 335.799 0.931 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnns3)nn2)C1 ZINC000999957337 745097954 /nfs/dbraw/zinc/09/79/54/745097954.db2.gz UZZDLQXEJLAYAV-LBPRGKRZSA-N 1 1 331.405 0.330 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)nn3C)nn2)C1 ZINC000999961075 745102838 /nfs/dbraw/zinc/10/28/38/745102838.db2.gz GPHZMZIZHLGVDR-AWEZNQCLSA-N 1 1 327.392 0.130 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001059197294 745112208 /nfs/dbraw/zinc/11/22/08/745112208.db2.gz AUGMPJDOCOLPBP-CQSZACIVSA-N 1 1 340.493 0.938 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)noc3C)nn2)C1 ZINC000999968488 745114360 /nfs/dbraw/zinc/11/43/60/745114360.db2.gz SMIFTLLUIWLFOT-CQSZACIVSA-N 1 1 328.376 0.693 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3C)nn2)C1 ZINC000999969523 745115809 /nfs/dbraw/zinc/11/58/09/745115809.db2.gz WOBRBCQYSFLHMC-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC000999974701 745124189 /nfs/dbraw/zinc/12/41/89/745124189.db2.gz LWDRPWCEXIFVSM-OAHLLOKOSA-N 1 1 325.376 0.841 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 ZINC000999976307 745125251 /nfs/dbraw/zinc/12/52/51/745125251.db2.gz TXFOWMOGAYHPKP-FZMZJTMJSA-N 1 1 343.391 0.035 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC000999977942 745126865 /nfs/dbraw/zinc/12/68/65/745126865.db2.gz COTKCLKVHCVTIH-SMDDNHRTSA-N 1 1 343.391 0.035 20 30 ECEDMO N#Cc1ccc(C(=O)NCc2cn([C@H]3CC[N@H+](CCCO)C3)nn2)[nH]1 ZINC000999979703 745129709 /nfs/dbraw/zinc/12/97/09/745129709.db2.gz JNRYAJNXJJKMJX-AWEZNQCLSA-N 1 1 343.391 0.037 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)C3=CCOCC3)nn2)C1 ZINC000999980348 745131020 /nfs/dbraw/zinc/13/10/20/745131020.db2.gz NJMBVNBGEBDPGY-INIZCTEOSA-N 1 1 329.404 0.511 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnnn3C)nn2)C1 ZINC000999982650 745134708 /nfs/dbraw/zinc/13/47/08/745134708.db2.gz FZVUIFLDJIWJJO-AWEZNQCLSA-N 1 1 344.423 0.550 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC000999984357 745137074 /nfs/dbraw/zinc/13/70/74/745137074.db2.gz LPXKYHPKRABTCO-HNNXBMFYSA-N 1 1 327.392 0.821 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 ZINC000999987509 745142953 /nfs/dbraw/zinc/14/29/53/745142953.db2.gz OWHDTLMHZMTLLI-CVEARBPZSA-N 1 1 345.451 0.539 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]c(=O)[nH]c3C)nn2)C1 ZINC000999989874 745146698 /nfs/dbraw/zinc/14/66/98/745146698.db2.gz GQIUDALUORHXRK-ZDUSSCGKSA-N 1 1 345.407 0.768 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@]34C[C@H]3COC4)nn2)C1 ZINC000999992151 745149348 /nfs/dbraw/zinc/14/93/48/745149348.db2.gz OOSQOVNQNYDSOP-LXZKKBNFSA-N 1 1 329.404 0.201 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000977530057 745150538 /nfs/dbraw/zinc/15/05/38/745150538.db2.gz OKUTWDOHGVNOLO-KGLIPLIRSA-N 1 1 329.404 0.511 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]c(=O)[nH]c3C)nn2)C1 ZINC000999995731 745154537 /nfs/dbraw/zinc/15/45/37/745154537.db2.gz HJAXKZHANPEPCM-CYBMUJFWSA-N 1 1 343.391 0.215 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]c(=O)[nH]c3C)nn2)C1 ZINC000999995737 745154616 /nfs/dbraw/zinc/15/46/16/745154616.db2.gz HJAXKZHANPEPCM-ZDUSSCGKSA-N 1 1 343.391 0.215 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nn2)C1 ZINC001000000275 745161586 /nfs/dbraw/zinc/16/15/86/745161586.db2.gz HVBQLDSOIQYCHF-NEXGVSGLSA-N 1 1 343.431 0.751 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)nc3OC)nn2)C1 ZINC000999999879 745161787 /nfs/dbraw/zinc/16/17/87/745161787.db2.gz GNVXWENCLPBHAO-ZDUSSCGKSA-N 1 1 345.407 0.383 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnc(OC)n3)nn2)C1 ZINC001000000316 745162709 /nfs/dbraw/zinc/16/27/09/745162709.db2.gz IDXRLIYANOLONR-CYBMUJFWSA-N 1 1 343.391 0.440 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 ZINC001000022560 745193884 /nfs/dbraw/zinc/19/38/84/745193884.db2.gz WMWLZGTUSSVPGJ-LBPRGKRZSA-N 1 1 331.355 0.340 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001000026745 745198829 /nfs/dbraw/zinc/19/88/29/745198829.db2.gz BWXSLSQDVSPUIH-ZDUSSCGKSA-N 1 1 347.810 0.997 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001000026745 745198831 /nfs/dbraw/zinc/19/88/31/745198831.db2.gz BWXSLSQDVSPUIH-ZDUSSCGKSA-N 1 1 347.810 0.997 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001000031092 745205428 /nfs/dbraw/zinc/20/54/28/745205428.db2.gz VVQYKALUKYKUFI-AWEZNQCLSA-N 1 1 325.376 0.268 20 30 ECEDMO C=CCCn1cc(C(=O)NCc2cn([C@@H]3CC[N@H+](CC)C3)nn2)nn1 ZINC001000031723 745205950 /nfs/dbraw/zinc/20/59/50/745205950.db2.gz ZXSBNTPPJQUNOI-CQSZACIVSA-N 1 1 344.423 0.642 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001059212634 745208138 /nfs/dbraw/zinc/20/81/38/745208138.db2.gz FFWASCWNELFNND-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001059212634 745208142 /nfs/dbraw/zinc/20/81/42/745208142.db2.gz FFWASCWNELFNND-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001059212634 745208144 /nfs/dbraw/zinc/20/81/44/745208144.db2.gz FFWASCWNELFNND-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001059212634 745208146 /nfs/dbraw/zinc/20/81/46/745208146.db2.gz FFWASCWNELFNND-ZBFHGGJFSA-N 1 1 343.431 0.476 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3OC)nn2)C1 ZINC001000033868 745208330 /nfs/dbraw/zinc/20/83/30/745208330.db2.gz GNFYQTKHHNDPFC-ZDUSSCGKSA-N 1 1 345.407 0.383 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(OC)nc3)nn2)C1 ZINC001000035112 745210591 /nfs/dbraw/zinc/21/05/91/745210591.db2.gz KGTHVVFSSANGJS-AWEZNQCLSA-N 1 1 343.391 0.440 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C2)nn1 ZINC001098697163 745216576 /nfs/dbraw/zinc/21/65/76/745216576.db2.gz CASISYIXCQZABC-JSGCOSHPSA-N 1 1 334.424 0.229 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001000042202 745222593 /nfs/dbraw/zinc/22/25/93/745222593.db2.gz DIPDBYJXAIWEIE-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cncnc1 ZINC000977593347 745226690 /nfs/dbraw/zinc/22/66/90/745226690.db2.gz OOLRQOPNDORQIB-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cncnc1 ZINC000977593347 745226693 /nfs/dbraw/zinc/22/66/93/745226693.db2.gz OOLRQOPNDORQIB-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C3=COCCO3)[C@H]2CC)C1=O ZINC001087493354 745239246 /nfs/dbraw/zinc/23/92/46/745239246.db2.gz RKKARSISUPXVIE-RRFJBIMHSA-N 1 1 349.431 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1coc(C)n1 ZINC000977616991 745276116 /nfs/dbraw/zinc/27/61/16/745276116.db2.gz KABAPEALTYNOOV-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1coc(C)n1 ZINC000977616991 745276120 /nfs/dbraw/zinc/27/61/20/745276120.db2.gz KABAPEALTYNOOV-ZBFHGGJFSA-N 1 1 344.415 0.754 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 ZINC001059235114 745300042 /nfs/dbraw/zinc/30/00/42/745300042.db2.gz JLFUYAWJNDZJJW-YRGRVCCFSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 ZINC001059235114 745300048 /nfs/dbraw/zinc/30/00/48/745300048.db2.gz JLFUYAWJNDZJJW-YRGRVCCFSA-N 1 1 330.392 0.128 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059238745 745325900 /nfs/dbraw/zinc/32/59/00/745325900.db2.gz REDRBJIRHFSZSV-IHRRRGAJSA-N 1 1 328.420 0.704 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cn(CC)cn2)C1=O ZINC001028263922 751994649 /nfs/dbraw/zinc/99/46/49/751994649.db2.gz AHZYBKZTGCYJSI-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cn(CC)cn2)C1=O ZINC001028263922 751994653 /nfs/dbraw/zinc/99/46/53/751994653.db2.gz AHZYBKZTGCYJSI-GDBMZVCRSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001006949134 751998166 /nfs/dbraw/zinc/99/81/66/751998166.db2.gz IACDGEXVRNOGOM-ZBFHGGJFSA-N 1 1 346.431 0.893 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001006949134 751998172 /nfs/dbraw/zinc/99/81/72/751998172.db2.gz IACDGEXVRNOGOM-ZBFHGGJFSA-N 1 1 346.431 0.893 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)C3CCOCC3)CC2)C1=O ZINC001000369289 745458774 /nfs/dbraw/zinc/45/87/74/745458774.db2.gz FOTHSOZTYHBJCV-QGZVFWFLSA-N 1 1 347.459 0.948 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000977772121 745474948 /nfs/dbraw/zinc/47/49/48/745474948.db2.gz LDOGLRHKJGVWCI-WBVHZDCISA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)nc1 ZINC000977773309 745477323 /nfs/dbraw/zinc/47/73/23/745477323.db2.gz MSNLGQGVMWPRPZ-JKSUJKDBSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)n3)C2)nn1 ZINC001000428043 745492203 /nfs/dbraw/zinc/49/22/03/745492203.db2.gz NSEJTMKJBPYANW-CYBMUJFWSA-N 1 1 344.423 0.377 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000977807917 745528213 /nfs/dbraw/zinc/52/82/13/745528213.db2.gz CXHVNZPLNBIPJR-HOTGVXAUSA-N 1 1 333.432 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)C1 ZINC000977807917 745528216 /nfs/dbraw/zinc/52/82/16/745528216.db2.gz CXHVNZPLNBIPJR-HOTGVXAUSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3cn[nH]c3)CC2)C1=O ZINC001000475221 745530192 /nfs/dbraw/zinc/53/01/92/745530192.db2.gz YZOSLZLYAMYVOP-OAHLLOKOSA-N 1 1 329.404 0.559 20 30 ECEDMO Cc1nc(CC[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cs1 ZINC001083414164 745531834 /nfs/dbraw/zinc/53/18/34/745531834.db2.gz PFHRUVSQWAYKKO-CABCVRRESA-N 1 1 345.428 0.669 20 30 ECEDMO Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cs1 ZINC001083414164 745531836 /nfs/dbraw/zinc/53/18/36/745531836.db2.gz PFHRUVSQWAYKKO-CABCVRRESA-N 1 1 345.428 0.669 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnns4)[C@@H]3C2)C1=O ZINC000977844620 745555315 /nfs/dbraw/zinc/55/53/15/745555315.db2.gz AJYHVQHXGYHCFA-FVCCEPFGSA-N 1 1 347.444 0.233 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)c1 ZINC001027568067 745588526 /nfs/dbraw/zinc/58/85/26/745588526.db2.gz AASFKNIQDAJIRS-HOTGVXAUSA-N 1 1 328.416 0.863 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001000594159 745623574 /nfs/dbraw/zinc/62/35/74/745623574.db2.gz LDTMOTLSHCGHKL-GFCCVEGCSA-N 1 1 329.404 0.725 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2)[nH]1 ZINC001000594557 745623798 /nfs/dbraw/zinc/62/37/98/745623798.db2.gz RPGIAIKGIJXLNS-CQSZACIVSA-N 1 1 341.371 0.053 20 30 ECEDMO N#Cc1ccc(C(=O)NCC2=CC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)[nH]1 ZINC001000594557 745623802 /nfs/dbraw/zinc/62/38/02/745623802.db2.gz RPGIAIKGIJXLNS-CQSZACIVSA-N 1 1 341.371 0.053 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3cncnc3)CC2)C1=O ZINC001000609360 745633061 /nfs/dbraw/zinc/63/30/61/745633061.db2.gz PNCPMIBXALEFKI-MRXNPFEDSA-N 1 1 341.415 0.625 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccncn1 ZINC000977918357 745645362 /nfs/dbraw/zinc/64/53/62/745645362.db2.gz LXSGUWPLLUEFEH-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1ccncn1 ZINC000977918357 745645364 /nfs/dbraw/zinc/64/53/64/745645364.db2.gz LXSGUWPLLUEFEH-ZBFHGGJFSA-N 1 1 341.415 0.247 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@H]3COC(=O)N3)CC2)cc1 ZINC001000641358 745656433 /nfs/dbraw/zinc/65/64/33/745656433.db2.gz YADQFZYYAFZFPF-MRXNPFEDSA-N 1 1 340.383 0.915 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccsn1 ZINC000977908212 745659077 /nfs/dbraw/zinc/65/90/77/745659077.db2.gz USJQMAQXNSQTON-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccsn1 ZINC000977908212 745659083 /nfs/dbraw/zinc/65/90/83/745659083.db2.gz USJQMAQXNSQTON-HIFRSBDPSA-N 1 1 346.456 0.914 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001029312251 745680916 /nfs/dbraw/zinc/68/09/16/745680916.db2.gz YNPHPRVQFFOQFD-TWMKSMIVSA-N 1 1 345.447 0.935 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001029312251 745680917 /nfs/dbraw/zinc/68/09/17/745680917.db2.gz YNPHPRVQFFOQFD-TWMKSMIVSA-N 1 1 345.447 0.935 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cnns1 ZINC000977927302 745681979 /nfs/dbraw/zinc/68/19/79/745681979.db2.gz LWUNRZGTCCSIOW-STQMWFEESA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cnns1 ZINC000977927302 745681985 /nfs/dbraw/zinc/68/19/85/745681985.db2.gz LWUNRZGTCCSIOW-STQMWFEESA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1ccon1 ZINC000977930289 745686462 /nfs/dbraw/zinc/68/64/62/745686462.db2.gz SAWBCHHKFPFRMM-HOTGVXAUSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1ccon1 ZINC000977930289 745686465 /nfs/dbraw/zinc/68/64/65/745686465.db2.gz SAWBCHHKFPFRMM-HOTGVXAUSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cnn(C)c1 ZINC000977930259 745686537 /nfs/dbraw/zinc/68/65/37/745686537.db2.gz RDBCJMYVXWUCTL-CVEARBPZSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cnn(C)c1 ZINC000977930259 745686541 /nfs/dbraw/zinc/68/65/41/745686541.db2.gz RDBCJMYVXWUCTL-CVEARBPZSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc[nH]1 ZINC000977930308 745686841 /nfs/dbraw/zinc/68/68/41/745686841.db2.gz SMKWUPBMLRHNHR-HOCLYGCPSA-N 1 1 328.416 0.785 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc[nH]1 ZINC000977930308 745686845 /nfs/dbraw/zinc/68/68/45/745686845.db2.gz SMKWUPBMLRHNHR-HOCLYGCPSA-N 1 1 328.416 0.785 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cocn4)[C@@H]3C2)C1=O ZINC000977932658 745689781 /nfs/dbraw/zinc/68/97/81/745689781.db2.gz KURGFDZNYFSWIT-GUIRCDHDSA-N 1 1 330.388 0.369 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001000694712 745705705 /nfs/dbraw/zinc/70/57/05/745705705.db2.gz FZIUXWYNOZJXOL-PMPSAXMXSA-N 1 1 333.432 0.604 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001000694712 745705709 /nfs/dbraw/zinc/70/57/09/745705709.db2.gz FZIUXWYNOZJXOL-PMPSAXMXSA-N 1 1 333.432 0.604 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C#N)cn1 ZINC001126522439 745709898 /nfs/dbraw/zinc/70/98/98/745709898.db2.gz CLNKAYNVLLPRRL-GOEBONIOSA-N 1 1 345.447 0.720 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C#N)nc1 ZINC001126523629 745728967 /nfs/dbraw/zinc/72/89/67/745728967.db2.gz NDWGGDAOHLNRGP-PBHICJAKSA-N 1 1 345.447 0.720 20 30 ECEDMO Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)[nH]1 ZINC000977977253 745737210 /nfs/dbraw/zinc/73/72/10/745737210.db2.gz MWEFKRCIOBQSSL-JXJLXUTGSA-N 1 1 339.403 0.982 20 30 ECEDMO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)[nH]1 ZINC000977977253 745737216 /nfs/dbraw/zinc/73/72/16/745737216.db2.gz MWEFKRCIOBQSSL-JXJLXUTGSA-N 1 1 339.403 0.982 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)N(C)C)cn1 ZINC001028271144 752028132 /nfs/dbraw/zinc/02/81/32/752028132.db2.gz ZRXXLUWIQPWQGV-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C)cn1 ZINC001028271144 752028142 /nfs/dbraw/zinc/02/81/42/752028142.db2.gz ZRXXLUWIQPWQGV-CJNGLKHVSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnn(C)c1 ZINC001029342467 745759225 /nfs/dbraw/zinc/75/92/25/745759225.db2.gz PZKLWWSJDOZIBV-KSZLIROESA-N 1 1 341.459 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cnn(C)c1 ZINC001029342467 745759231 /nfs/dbraw/zinc/75/92/31/745759231.db2.gz PZKLWWSJDOZIBV-KSZLIROESA-N 1 1 341.459 0.693 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC([C@H]2[N@@H+](CC(N)=O)CC23CCC3)CC1 ZINC001105393718 745820224 /nfs/dbraw/zinc/82/02/24/745820224.db2.gz GIHBZWBMKJQRTE-RHSMWYFYSA-N 1 1 347.459 0.603 20 30 ECEDMO Cc1nonc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978031230 745832558 /nfs/dbraw/zinc/83/25/58/745832558.db2.gz WWGDTKVDMKFHFY-ZSOGYDGISA-N 1 1 326.360 0.686 20 30 ECEDMO Cc1nonc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978031230 745832562 /nfs/dbraw/zinc/83/25/62/745832562.db2.gz WWGDTKVDMKFHFY-ZSOGYDGISA-N 1 1 326.360 0.686 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001000861317 745835641 /nfs/dbraw/zinc/83/56/41/745835641.db2.gz YWRYZEQLWLRKNF-CQSZACIVSA-N 1 1 329.404 0.318 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCN(CC)C2=O)nc1 ZINC001028271675 752037260 /nfs/dbraw/zinc/03/72/60/752037260.db2.gz LKHIYQYQIJRRLV-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCN(CC)C2=O)nc1 ZINC001028271675 752037268 /nfs/dbraw/zinc/03/72/68/752037268.db2.gz LKHIYQYQIJRRLV-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)cn3)[C@H]2CC)C1=O ZINC001087541471 745892296 /nfs/dbraw/zinc/89/22/96/745892296.db2.gz RVKHJPNWLSDTSQ-NUEKZKHPSA-N 1 1 345.447 0.790 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC000984146510 745936390 /nfs/dbraw/zinc/93/63/90/745936390.db2.gz JFYKNHSMQSRQHD-CVEARBPZSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC000984146510 745936393 /nfs/dbraw/zinc/93/63/93/745936393.db2.gz JFYKNHSMQSRQHD-CVEARBPZSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2coc3c2C(=O)NCCC3)CC1 ZINC001000973049 745942968 /nfs/dbraw/zinc/94/29/68/745942968.db2.gz CHPXIYMBEMYNGS-UHFFFAOYSA-N 1 1 327.384 0.951 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@H](C)COC)nc3C)[C@@H]2C1 ZINC000978138360 745953631 /nfs/dbraw/zinc/95/36/31/745953631.db2.gz APLKRXSMLQZURN-WNOSKKOXSA-N 1 1 330.432 0.940 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NCc3cnns3)C2)CC1 ZINC001000990161 745956031 /nfs/dbraw/zinc/95/60/31/745956031.db2.gz AGTSFCMURHKZFC-OAHLLOKOSA-N 1 1 347.488 0.964 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC000978132087 745973400 /nfs/dbraw/zinc/97/34/00/745973400.db2.gz PWEJSUGOXFXOSA-CYUUQNCZSA-N 1 1 329.404 0.243 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cncnc3)[C@H]2CC)C1=O ZINC001087551522 745984517 /nfs/dbraw/zinc/98/45/17/745984517.db2.gz HDIVBMXXDJDZQU-ARFHVFGLSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cncnc3)[C@H]2CC)C1=O ZINC001087551522 745984520 /nfs/dbraw/zinc/98/45/20/745984520.db2.gz HDIVBMXXDJDZQU-ARFHVFGLSA-N 1 1 343.431 0.846 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059338018 746012760 /nfs/dbraw/zinc/01/27/60/746012760.db2.gz WHFBWBJWDPOEDU-OWCLPIDISA-N 1 1 337.464 0.884 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)cc1 ZINC001028273466 752054773 /nfs/dbraw/zinc/05/47/73/752054773.db2.gz QDQUBQWJJNIYJU-HOTGVXAUSA-N 1 1 326.400 0.917 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC000978248801 746079573 /nfs/dbraw/zinc/07/95/73/746079573.db2.gz RFMHLDNHUMNHDO-VQHPVUNQSA-N 1 1 349.475 0.742 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3c3ncccn3)[C@@H]2C1 ZINC000978285451 746149733 /nfs/dbraw/zinc/14/97/33/746149733.db2.gz VELNBUSRFOQBIZ-JONQDZQNSA-N 1 1 327.432 0.925 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1CC ZINC001087684941 746187007 /nfs/dbraw/zinc/18/70/07/746187007.db2.gz YAMFYIGBRZSVEZ-QWHCGFSZSA-N 1 1 328.844 0.140 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1CC ZINC001087684941 746187011 /nfs/dbraw/zinc/18/70/11/746187011.db2.gz YAMFYIGBRZSVEZ-QWHCGFSZSA-N 1 1 328.844 0.140 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2=CC[N@H+]([C@H](C)C(N)=O)CC2)cc1 ZINC001001235798 746195956 /nfs/dbraw/zinc/19/59/56/746195956.db2.gz XVMYSHNMVDCHIC-CQSZACIVSA-N 1 1 341.411 0.934 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2=CC[N@@H+]([C@H](C)C(N)=O)CC2)cc1 ZINC001001235798 746195960 /nfs/dbraw/zinc/19/59/60/746195960.db2.gz XVMYSHNMVDCHIC-CQSZACIVSA-N 1 1 341.411 0.934 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+]([C@@H]3CCN(C)C3=O)CC2)nn1 ZINC001001243036 746201370 /nfs/dbraw/zinc/20/13/70/746201370.db2.gz WRARQMRZEAQUCV-OAHLLOKOSA-N 1 1 344.419 0.057 20 30 ECEDMO C=CCn1cc(C(=O)NCC2=CC[N@@H+]([C@@H](C)C(=O)N(C)C)CC2)nn1 ZINC001001243300 746201791 /nfs/dbraw/zinc/20/17/91/746201791.db2.gz YSXXCWMPUDWGDJ-ZDUSSCGKSA-N 1 1 346.435 0.303 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001087709054 746229807 /nfs/dbraw/zinc/22/98/07/746229807.db2.gz CXAQTRPPZJAQNW-UONOGXRCSA-N 1 1 330.388 0.521 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001087709054 746229811 /nfs/dbraw/zinc/22/98/11/746229811.db2.gz CXAQTRPPZJAQNW-UONOGXRCSA-N 1 1 330.388 0.521 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC001101345982 746231304 /nfs/dbraw/zinc/23/13/04/746231304.db2.gz QCSRIFNEWBVYNM-HIFRSBDPSA-N 1 1 329.466 0.412 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001358053 746305077 /nfs/dbraw/zinc/30/50/77/746305077.db2.gz URUOWZPDXHCACS-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC000984349848 746330677 /nfs/dbraw/zinc/33/06/77/746330677.db2.gz JDEORVYHTMKQIE-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC000984349848 746330682 /nfs/dbraw/zinc/33/06/82/746330682.db2.gz JDEORVYHTMKQIE-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1CC ZINC001087795712 746361003 /nfs/dbraw/zinc/36/10/03/746361003.db2.gz SYGILTAWNZQCQT-WCQYABFASA-N 1 1 330.392 0.576 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4nnnn4c3)[C@@H]2C1 ZINC000978497218 746373246 /nfs/dbraw/zinc/37/32/46/746373246.db2.gz NFFNZRHYLPVMGX-XYYAHUGASA-N 1 1 332.795 0.784 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)C1=O ZINC001027628984 746373462 /nfs/dbraw/zinc/37/34/62/746373462.db2.gz PGRHXARPZJWSJI-CABCVRRESA-N 1 1 345.447 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2nnc(C)o2)CC1 ZINC001001491361 746429282 /nfs/dbraw/zinc/42/92/82/746429282.db2.gz ICLOJBMSAAXFMP-INIZCTEOSA-N 1 1 345.447 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2nnc(C)o2)CC1 ZINC001001491361 746429283 /nfs/dbraw/zinc/42/92/83/746429283.db2.gz ICLOJBMSAAXFMP-INIZCTEOSA-N 1 1 345.447 0.804 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@H]32)cc1 ZINC000978583968 746471219 /nfs/dbraw/zinc/47/12/19/746471219.db2.gz QMDDCAALDPCZNL-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@H]32)cc1 ZINC000978583968 746471223 /nfs/dbraw/zinc/47/12/23/746471223.db2.gz QMDDCAALDPCZNL-NNZMDNLPSA-N 1 1 335.411 0.904 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2coc(C)c2)C1 ZINC001001573391 746505634 /nfs/dbraw/zinc/50/56/34/746505634.db2.gz USCXISXPFHINSL-INIZCTEOSA-N 1 1 329.400 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2coc(C)c2)C1 ZINC001001573391 746505637 /nfs/dbraw/zinc/50/56/37/746505637.db2.gz USCXISXPFHINSL-INIZCTEOSA-N 1 1 329.400 0.874 20 30 ECEDMO CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)C1 ZINC001083418569 746520135 /nfs/dbraw/zinc/52/01/35/746520135.db2.gz PEYFUJKYEAIZFC-ZNMIVQPWSA-N 1 1 332.404 0.476 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC000978643343 746535710 /nfs/dbraw/zinc/53/57/10/746535710.db2.gz RKORCXCHVZTBNF-ZQDZILKHSA-N 1 1 327.432 0.237 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)[C@H]3CCNC3=O)C2)nc1 ZINC001027656054 746594250 /nfs/dbraw/zinc/59/42/50/746594250.db2.gz JIONPYIPVQOYCC-HOCLYGCPSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)cn1 ZINC001027656201 746595296 /nfs/dbraw/zinc/59/52/96/746595296.db2.gz LYQQMVSTZDQHNQ-CVEARBPZSA-N 1 1 328.416 0.863 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cncnc2)C1 ZINC000978738781 746634965 /nfs/dbraw/zinc/63/49/65/746634965.db2.gz WUIIWIZWPHYXGF-IMJJTQAJSA-N 1 1 341.415 0.199 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cncnc2)C1 ZINC000978738781 746634967 /nfs/dbraw/zinc/63/49/67/746634967.db2.gz WUIIWIZWPHYXGF-IMJJTQAJSA-N 1 1 341.415 0.199 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3ncn(C)c3=O)C[C@@]2(C)C1 ZINC000982400176 752110916 /nfs/dbraw/zinc/11/09/16/752110916.db2.gz GALWYMWKXPEVAZ-HDICACEKSA-N 1 1 347.463 0.718 20 30 ECEDMO C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)Cc3cnc[nH]3)C2)nn1 ZINC001105340513 746707748 /nfs/dbraw/zinc/70/77/48/746707748.db2.gz CNDYCVTWANNMCJ-CYBMUJFWSA-N 1 1 343.435 0.929 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]32)nn1 ZINC000978813033 746734735 /nfs/dbraw/zinc/73/47/35/746734735.db2.gz GXRVYIRKMDWKAX-QKDCVEJESA-N 1 1 341.419 0.305 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cccc(C)c3=O)C[C@@H]2C1 ZINC001087965001 746753733 /nfs/dbraw/zinc/75/37/33/746753733.db2.gz KIOGJDJBFSYELB-SJORKVTESA-N 1 1 327.428 0.960 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc(N(C)C)cn3)C[C@@H]2C1 ZINC001087966824 746759821 /nfs/dbraw/zinc/75/98/21/746759821.db2.gz XCLRDHYIWZVHHY-CABCVRRESA-N 1 1 327.432 0.960 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)n1 ZINC001059413928 746763131 /nfs/dbraw/zinc/76/31/31/746763131.db2.gz AFAOHWHQKSGQDK-BPGGGUHBSA-N 1 1 328.420 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nccs4)[C@@H]3C2)C1=O ZINC000978886924 746832847 /nfs/dbraw/zinc/83/28/47/746832847.db2.gz WYZLIQVZCOZUPD-YIYPIFLZSA-N 1 1 346.456 0.838 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](N(C)[C@@H]3CCNC3=O)C2)CC1 ZINC001027694233 746860901 /nfs/dbraw/zinc/86/09/01/746860901.db2.gz UZYSMLRQEKSSOH-DLBZAZTESA-N 1 1 346.475 0.143 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)[nH]1 ZINC001007150984 752130290 /nfs/dbraw/zinc/13/02/90/752130290.db2.gz IOKFDNDQCJBUBH-ZFWWWQNUSA-N 1 1 343.431 0.997 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001002002022 746882023 /nfs/dbraw/zinc/88/20/23/746882023.db2.gz RHESXFMQXSMJOY-XHSDSOJGSA-N 1 1 335.448 0.494 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001002002019 746882321 /nfs/dbraw/zinc/88/23/21/746882321.db2.gz RHESXFMQXSMJOY-OAGGEKHMSA-N 1 1 335.448 0.494 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C(C)(F)F)C1 ZINC000978951728 746943533 /nfs/dbraw/zinc/94/35/33/746943533.db2.gz BEUCISDGZPCMFH-XQQFMLRXSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C(C)(F)F)C1 ZINC000978951728 746943537 /nfs/dbraw/zinc/94/35/37/746943537.db2.gz BEUCISDGZPCMFH-XQQFMLRXSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnco2)C1 ZINC000978953801 746949183 /nfs/dbraw/zinc/94/91/83/746949183.db2.gz RGUPKYZFCGKKPA-MJBXVCDLSA-N 1 1 330.388 0.397 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnco2)C1 ZINC000978953801 746949188 /nfs/dbraw/zinc/94/91/88/746949188.db2.gz RGUPKYZFCGKKPA-MJBXVCDLSA-N 1 1 330.388 0.397 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978992188 747003948 /nfs/dbraw/zinc/00/39/48/747003948.db2.gz DSGABDUUKJAZLT-IVMMDQJWSA-N 1 1 343.431 0.995 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)c[nH]1 ZINC001007162259 752144261 /nfs/dbraw/zinc/14/42/61/752144261.db2.gz JCCLRQOQFGCRGE-CYBMUJFWSA-N 1 1 343.387 0.230 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCN3C(=O)CCC3=O)C2)c[nH]1 ZINC001007162259 752144265 /nfs/dbraw/zinc/14/42/65/752144265.db2.gz JCCLRQOQFGCRGE-CYBMUJFWSA-N 1 1 343.387 0.230 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001002164755 747044155 /nfs/dbraw/zinc/04/41/55/747044155.db2.gz XUJZLRWNEPTPNO-BBWFWOEESA-N 1 1 329.444 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001002164755 747044161 /nfs/dbraw/zinc/04/41/61/747044161.db2.gz XUJZLRWNEPTPNO-BBWFWOEESA-N 1 1 329.444 0.705 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@@H]2C1 ZINC000979057992 747100699 /nfs/dbraw/zinc/10/06/99/747100699.db2.gz LVAJGLMZVAENGK-RTCCRHLQSA-N 1 1 335.795 0.236 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]2C1 ZINC001088031069 747109789 /nfs/dbraw/zinc/10/97/89/747109789.db2.gz YGWWJCUDRTZNDO-KGLIPLIRSA-N 1 1 332.404 0.305 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)O1 ZINC001059461644 747129123 /nfs/dbraw/zinc/12/91/23/747129123.db2.gz SDTSGGSBLDHBAR-HKUMRIAESA-N 1 1 330.392 0.126 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)O1 ZINC001059461644 747129127 /nfs/dbraw/zinc/12/91/27/747129127.db2.gz SDTSGGSBLDHBAR-HKUMRIAESA-N 1 1 330.392 0.126 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000988468391 752155483 /nfs/dbraw/zinc/15/54/83/752155483.db2.gz GCVAADHOAUBLJW-WBVHZDCISA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000988468391 752155509 /nfs/dbraw/zinc/15/55/09/752155509.db2.gz GCVAADHOAUBLJW-WBVHZDCISA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@@H]2C1 ZINC001088054738 747163555 /nfs/dbraw/zinc/16/35/55/747163555.db2.gz SLOOSXGCFGGXHL-ILXRZTDVSA-N 1 1 328.416 0.941 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC)C(N)=O ZINC001029511346 747207269 /nfs/dbraw/zinc/20/72/69/747207269.db2.gz IZXVWNGNDHMUKX-QRJUGERDSA-N 1 1 335.448 0.907 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC)C(N)=O ZINC001029511346 747207271 /nfs/dbraw/zinc/20/72/71/747207271.db2.gz IZXVWNGNDHMUKX-QRJUGERDSA-N 1 1 335.448 0.907 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@@H]2C1 ZINC001088082846 747286781 /nfs/dbraw/zinc/28/67/81/747286781.db2.gz NLLGCCNYGOOTCV-KFWWJZLASA-N 1 1 327.432 0.334 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@@H]2C1 ZINC001088114436 747419693 /nfs/dbraw/zinc/41/96/93/747419693.db2.gz NHJCSLYNHSOOIP-XHSDSOJGSA-N 1 1 344.463 0.982 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@@H]2C1 ZINC001088137473 747472913 /nfs/dbraw/zinc/47/29/13/747472913.db2.gz PBZSEWYQDFKUQH-HLLBOEOZSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@@H]2C1 ZINC001088137473 747472915 /nfs/dbraw/zinc/47/29/15/747472915.db2.gz PBZSEWYQDFKUQH-HLLBOEOZSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNCc3nncn3C)C2)CC1 ZINC000985155202 747479592 /nfs/dbraw/zinc/47/95/92/747479592.db2.gz ROKPRBZMPSNSGZ-KOMQPUFPSA-N 1 1 344.463 0.145 20 30 ECEDMO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)s1 ZINC000979286113 747537181 /nfs/dbraw/zinc/53/71/81/747537181.db2.gz BGGXCWQMRKNNPG-FZMZJTMJSA-N 1 1 334.445 0.965 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979304897 747571943 /nfs/dbraw/zinc/57/19/43/747571943.db2.gz CDHZRYDJGLITKF-DDHJSBNISA-N 1 1 343.431 0.709 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001059505364 747578430 /nfs/dbraw/zinc/57/84/30/747578430.db2.gz MYTPYQYBCOGTFO-ZIAGYGMSSA-N 1 1 343.431 0.806 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@@H]2C1 ZINC001088169320 747584291 /nfs/dbraw/zinc/58/42/91/747584291.db2.gz RCLLXBCNLWROKL-NEPJUHHUSA-N 1 1 348.403 0.866 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnsn2)C1=O ZINC001027771328 747588719 /nfs/dbraw/zinc/58/87/19/747588719.db2.gz NHHYBKZWKMLFOG-WCQYABFASA-N 1 1 335.433 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnsn2)C1=O ZINC001027771328 747588724 /nfs/dbraw/zinc/58/87/24/747588724.db2.gz NHHYBKZWKMLFOG-WCQYABFASA-N 1 1 335.433 0.519 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1cn[nH]c1 ZINC001002637384 747600397 /nfs/dbraw/zinc/60/03/97/747600397.db2.gz HVKBUZNATOTSSE-HOTGVXAUSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)c1cn[nH]c1 ZINC001002637384 747600401 /nfs/dbraw/zinc/60/04/01/747600401.db2.gz HVKBUZNATOTSSE-HOTGVXAUSA-N 1 1 343.431 0.570 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2nnnn2C)C1 ZINC000979379837 747706849 /nfs/dbraw/zinc/70/68/49/747706849.db2.gz SXXVWTQXCHFEPL-CHWSQXEVSA-N 1 1 336.440 0.518 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088204790 747741824 /nfs/dbraw/zinc/74/18/24/747741824.db2.gz NSINOBXYIGSNEC-HZSPNIEDSA-N 1 1 327.450 0.035 20 30 ECEDMO COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]nn2)C12CCC2 ZINC001203419345 747770347 /nfs/dbraw/zinc/77/03/47/747770347.db2.gz LPXKYVUMOZHXTJ-GJZGRUSLSA-N 1 1 331.420 0.404 20 30 ECEDMO COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2cnn[nH]2)C12CCC2 ZINC001203419345 747770353 /nfs/dbraw/zinc/77/03/53/747770353.db2.gz LPXKYVUMOZHXTJ-GJZGRUSLSA-N 1 1 331.420 0.404 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cnn(C)c3)CC2)C1 ZINC001088228066 747776550 /nfs/dbraw/zinc/77/65/50/747776550.db2.gz HDNBWJSGWMVKEI-KRWDZBQOSA-N 1 1 330.432 0.996 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001088230936 747784173 /nfs/dbraw/zinc/78/41/73/747784173.db2.gz CVGQQCNLSFTADO-KRWDZBQOSA-N 1 1 330.432 0.915 20 30 ECEDMO C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cc3ccn[nH]3)CC2)C1 ZINC001088230936 747784177 /nfs/dbraw/zinc/78/41/77/747784177.db2.gz CVGQQCNLSFTADO-KRWDZBQOSA-N 1 1 330.432 0.915 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3ccn[nH]3)CC2)C1 ZINC001088230936 747784180 /nfs/dbraw/zinc/78/41/80/747784180.db2.gz CVGQQCNLSFTADO-KRWDZBQOSA-N 1 1 330.432 0.915 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CCc3nnc[nH]3)CC2)C1 ZINC001088232342 747788057 /nfs/dbraw/zinc/78/80/57/747788057.db2.gz NZBJDKNBZUZCCV-MRXNPFEDSA-N 1 1 345.447 0.700 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001088232342 747788060 /nfs/dbraw/zinc/78/80/60/747788060.db2.gz NZBJDKNBZUZCCV-MRXNPFEDSA-N 1 1 345.447 0.700 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001088232342 747788063 /nfs/dbraw/zinc/78/80/63/747788063.db2.gz NZBJDKNBZUZCCV-MRXNPFEDSA-N 1 1 345.447 0.700 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001088233601 747793956 /nfs/dbraw/zinc/79/39/56/747793956.db2.gz VFGXINSYMNWZCE-HNNXBMFYSA-N 1 1 333.436 0.944 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@]2(C)CCOC2)C1 ZINC001002826573 747839859 /nfs/dbraw/zinc/83/98/59/747839859.db2.gz NILUAXCXODLDPA-MAUKXSAKSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@]2(C)CCOC2)C1 ZINC001002826573 747839864 /nfs/dbraw/zinc/83/98/64/747839864.db2.gz NILUAXCXODLDPA-MAUKXSAKSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)on2)C1 ZINC001002829671 747844501 /nfs/dbraw/zinc/84/45/01/747844501.db2.gz NNZZPLKETAGSPO-HNNXBMFYSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)on2)C1 ZINC001002829671 747844511 /nfs/dbraw/zinc/84/45/11/747844511.db2.gz NNZZPLKETAGSPO-HNNXBMFYSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nccc(C)n2)C1 ZINC001002829660 747845420 /nfs/dbraw/zinc/84/54/20/747845420.db2.gz MXVRDCRIBKLRLD-HNNXBMFYSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nccc(C)n2)C1 ZINC001002829660 747845429 /nfs/dbraw/zinc/84/54/29/747845429.db2.gz MXVRDCRIBKLRLD-HNNXBMFYSA-N 1 1 341.415 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC001002834611 747855402 /nfs/dbraw/zinc/85/54/02/747855402.db2.gz GTKDYOGSVQPBGG-AAEUAGOBSA-N 1 1 345.365 0.857 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC001002834611 747855409 /nfs/dbraw/zinc/85/54/09/747855409.db2.gz GTKDYOGSVQPBGG-AAEUAGOBSA-N 1 1 345.365 0.857 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000988501413 752219271 /nfs/dbraw/zinc/21/92/71/752219271.db2.gz MSIPEBSQSCIPMP-AAEUAGOBSA-N 1 1 327.392 0.891 20 30 ECEDMO C[N@@H+](C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1)[C@H]1CCC(=O)NC1=O ZINC000985391417 747888696 /nfs/dbraw/zinc/88/86/96/747888696.db2.gz NYQYLOWKTVNGMS-AWEZNQCLSA-N 1 1 343.387 0.228 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2nnn(C)c2C)C1=O ZINC001027804077 747912867 /nfs/dbraw/zinc/91/28/67/747912867.db2.gz VHTOVQJCYIKTPT-UONOGXRCSA-N 1 1 346.435 0.105 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nnn(C)c2C)C1=O ZINC001027804077 747912869 /nfs/dbraw/zinc/91/28/69/747912869.db2.gz VHTOVQJCYIKTPT-UONOGXRCSA-N 1 1 346.435 0.105 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC000982444020 752229346 /nfs/dbraw/zinc/22/93/46/752229346.db2.gz YDROBPKHGVDPIG-ZBFHGGJFSA-N 1 1 329.400 0.956 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC000982444020 752229349 /nfs/dbraw/zinc/22/93/49/752229349.db2.gz YDROBPKHGVDPIG-ZBFHGGJFSA-N 1 1 329.400 0.956 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001059549360 747977787 /nfs/dbraw/zinc/97/77/87/747977787.db2.gz MPQKXPUSTSCOTK-KRWDZBQOSA-N 1 1 349.475 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3cnsn3)C2)C1=O ZINC001029658567 747992500 /nfs/dbraw/zinc/99/25/00/747992500.db2.gz GKELMAYBLGBTRI-TZMCWYRMSA-N 1 1 349.460 0.719 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3ccon3)C2)C1=O ZINC001029682707 748046114 /nfs/dbraw/zinc/04/61/14/748046114.db2.gz YTGSMOOGZGNZMZ-GDBMZVCRSA-N 1 1 346.431 0.784 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979605452 748094529 /nfs/dbraw/zinc/09/45/29/748094529.db2.gz DMAFHKAQZVLLAQ-UXIGCNINSA-N 1 1 329.404 0.605 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC000979621989 748114608 /nfs/dbraw/zinc/11/46/08/748114608.db2.gz VRTPEDBNQLPOQI-RWMBFGLXSA-N 1 1 339.827 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2[nH]cnc2CC)C1=O ZINC001028290071 752240914 /nfs/dbraw/zinc/24/09/14/752240914.db2.gz NZMFZFDUMIHXPB-DZGCQCFKSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2[nH]cnc2CC)C1=O ZINC001028290071 752240917 /nfs/dbraw/zinc/24/09/17/752240917.db2.gz NZMFZFDUMIHXPB-DZGCQCFKSA-N 1 1 345.447 0.953 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nnc(C)o2)CC1 ZINC001003056199 748124508 /nfs/dbraw/zinc/12/45/08/748124508.db2.gz MWAZFNWMWCVQAP-HNNXBMFYSA-N 1 1 331.420 0.556 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2nnc(C)o2)CC1 ZINC001003056199 748124511 /nfs/dbraw/zinc/12/45/11/748124511.db2.gz MWAZFNWMWCVQAP-HNNXBMFYSA-N 1 1 331.420 0.556 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001027825510 748197366 /nfs/dbraw/zinc/19/73/66/748197366.db2.gz BMRJFCWHQBFJPQ-UKRRQHHQSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cn(C)cn2)C1=O ZINC001027825510 748197369 /nfs/dbraw/zinc/19/73/69/748197369.db2.gz BMRJFCWHQBFJPQ-UKRRQHHQSA-N 1 1 331.420 0.401 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2cnon2)CC1 ZINC000985474904 748210665 /nfs/dbraw/zinc/21/06/65/748210665.db2.gz HRNCXPPHGQMRRD-INIZCTEOSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2cnon2)CC1 ZINC000985474904 748210669 /nfs/dbraw/zinc/21/06/69/748210669.db2.gz HRNCXPPHGQMRRD-INIZCTEOSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001059553033 748261034 /nfs/dbraw/zinc/26/10/34/748261034.db2.gz KJKGSJLZIZTNBG-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001059553033 748261039 /nfs/dbraw/zinc/26/10/39/748261039.db2.gz KJKGSJLZIZTNBG-SJORKVTESA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(CCOC)nn3)C[C@@H]2C1 ZINC000979724937 748292447 /nfs/dbraw/zinc/29/24/47/748292447.db2.gz QLMZCFOYAOSRED-ARFHVFGLSA-N 1 1 345.447 0.778 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2C(=O)CCC2=O)[nH]1 ZINC001027833353 748322071 /nfs/dbraw/zinc/32/20/71/748322071.db2.gz MULLCIHINGJRTC-ZDUSSCGKSA-N 1 1 343.387 0.230 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC000985503510 748338237 /nfs/dbraw/zinc/33/82/37/748338237.db2.gz VISSKCREAQWHLK-UHFFFAOYSA-N 1 1 326.462 0.900 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027836183 748398704 /nfs/dbraw/zinc/39/87/04/748398704.db2.gz PFVKWWHQPMONGC-IAQYHMDHSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027836183 748398710 /nfs/dbraw/zinc/39/87/10/748398710.db2.gz PFVKWWHQPMONGC-IAQYHMDHSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cc(OC)no2)C1=O ZINC001027838104 748423877 /nfs/dbraw/zinc/42/38/77/748423877.db2.gz MMSZHQKHAUOUII-OLZOCXBDSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cc(OC)no2)C1=O ZINC001027838104 748423883 /nfs/dbraw/zinc/42/38/83/748423883.db2.gz MMSZHQKHAUOUII-OLZOCXBDSA-N 1 1 348.403 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cn(CC)cn2)C1 ZINC001003339484 748443877 /nfs/dbraw/zinc/44/38/77/748443877.db2.gz RVORHTFBQNVBCH-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cn(CC)cn2)C1 ZINC001003339484 748443881 /nfs/dbraw/zinc/44/38/81/748443881.db2.gz RVORHTFBQNVBCH-INIZCTEOSA-N 1 1 343.431 0.189 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)C2(n3cnnn3)CCCCC2)CC1 ZINC000985568432 748549966 /nfs/dbraw/zinc/54/99/66/748549966.db2.gz IZRKXCUEGHHVQD-UHFFFAOYSA-N 1 1 330.436 0.889 20 30 ECEDMO CN1C[C@H](C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)NC1=O ZINC001003436756 748555328 /nfs/dbraw/zinc/55/53/28/748555328.db2.gz KNWYXMPVFRMMFA-QGZVFWFLSA-N 1 1 340.427 0.642 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3cnoc3)C2)C1=O ZINC001029815575 748558450 /nfs/dbraw/zinc/55/84/50/748558450.db2.gz OGDSCKHQMPIDPG-HOCLYGCPSA-N 1 1 346.431 0.784 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC001003462221 748577601 /nfs/dbraw/zinc/57/76/01/748577601.db2.gz GLASOXGXVAGSBE-MRXNPFEDSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3cc[nH+]c3C)C2)nc1 ZINC001003468490 748585852 /nfs/dbraw/zinc/58/58/52/748585852.db2.gz SDBOKMULYGYWMW-UHFFFAOYSA-N 1 1 337.383 0.456 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001059587116 748617287 /nfs/dbraw/zinc/61/72/87/748617287.db2.gz HHSKZDCKCKIXQC-SCRDCRAPSA-N 1 1 344.419 0.300 20 30 ECEDMO CCc1nc(C#N)cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001059587116 748617295 /nfs/dbraw/zinc/61/72/95/748617295.db2.gz HHSKZDCKCKIXQC-SCRDCRAPSA-N 1 1 344.419 0.300 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001029826603 748627064 /nfs/dbraw/zinc/62/70/64/748627064.db2.gz SKONIBMIZWZWHD-SUMWQHHRSA-N 1 1 335.452 0.991 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001029840244 748693837 /nfs/dbraw/zinc/69/38/37/748693837.db2.gz UNAYYNOSFWMAPU-XYPHTWIQSA-N 1 1 340.427 0.960 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CC[NH+](CC(=O)N(C)C3CC3)CC2)c1 ZINC001003595044 748711338 /nfs/dbraw/zinc/71/13/38/748711338.db2.gz ZUILLOSJVFFPTI-UHFFFAOYSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC001003626108 748739754 /nfs/dbraw/zinc/73/97/54/748739754.db2.gz MGDUHDFJPWNKKO-NVXWUHKLSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC001003626108 748739756 /nfs/dbraw/zinc/73/97/56/748739756.db2.gz MGDUHDFJPWNKKO-NVXWUHKLSA-N 1 1 348.491 0.696 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000979966737 748758304 /nfs/dbraw/zinc/75/83/04/748758304.db2.gz DVFVEJBTAHCZTP-BPUTZDHNSA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000979966737 748758308 /nfs/dbraw/zinc/75/83/08/748758308.db2.gz DVFVEJBTAHCZTP-BPUTZDHNSA-N 1 1 328.416 0.737 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC(C)C)C2)C1 ZINC001059613296 748813220 /nfs/dbraw/zinc/81/32/20/748813220.db2.gz ZJFFEWIIYAWTQQ-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC(C)C)C2)C1 ZINC001059613296 748813226 /nfs/dbraw/zinc/81/32/26/748813226.db2.gz ZJFFEWIIYAWTQQ-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001059624284 748874301 /nfs/dbraw/zinc/87/43/01/748874301.db2.gz MJAWPPIZEUGXJM-ROUUACIJSA-N 1 1 341.455 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001059624284 748874307 /nfs/dbraw/zinc/87/43/07/748874307.db2.gz MJAWPPIZEUGXJM-ROUUACIJSA-N 1 1 341.455 0.852 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)CC[N@@H+](C)CC ZINC001058817217 748882129 /nfs/dbraw/zinc/88/21/29/748882129.db2.gz BFOIOGZPAJNPIJ-OAHLLOKOSA-N 1 1 327.469 0.868 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnn(CC)n2)C1=O ZINC001027869638 748896574 /nfs/dbraw/zinc/89/65/74/748896574.db2.gz KKCZIYOAOZXOKF-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnn(CC)n2)C1=O ZINC001027869638 748896578 /nfs/dbraw/zinc/89/65/78/748896578.db2.gz KKCZIYOAOZXOKF-ZFWWWQNUSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2ccon2)CC1 ZINC000980080822 748949296 /nfs/dbraw/zinc/94/92/96/748949296.db2.gz YNHJNAULGBFWEJ-XUJLQICISA-N 1 1 344.415 0.929 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2ccon2)CC1 ZINC000980080822 748949303 /nfs/dbraw/zinc/94/93/03/748949303.db2.gz YNHJNAULGBFWEJ-XUJLQICISA-N 1 1 344.415 0.929 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH2+]Cc1nc(COC)no1 ZINC001168100824 748958752 /nfs/dbraw/zinc/95/87/52/748958752.db2.gz ISJBVFGQWQOEEU-WFASDCNBSA-N 1 1 338.408 0.793 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(N)=O)cn3C)C[C@@H]2C1 ZINC000980165744 749100186 /nfs/dbraw/zinc/10/01/86/749100186.db2.gz PWWDKDKLEVJXQJ-LZWOXQAQSA-N 1 1 342.443 0.978 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(C)c(=O)n(C)c3=O)C[C@@H]2C1 ZINC000980194613 749128727 /nfs/dbraw/zinc/12/87/27/749128727.db2.gz YCWROXRBWVYJSY-BFHYXJOUSA-N 1 1 346.431 0.100 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CCC3)CC2)nc1 ZINC001004003931 749132234 /nfs/dbraw/zinc/13/22/34/749132234.db2.gz PGLVTJZOJFJPRB-UHFFFAOYSA-N 1 1 326.400 0.489 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059654516 749150275 /nfs/dbraw/zinc/15/02/75/749150275.db2.gz IVWWYWYKQFKLOP-GUTXKFCHSA-N 1 1 347.394 0.872 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001059654516 749150278 /nfs/dbraw/zinc/15/02/78/749150278.db2.gz IVWWYWYKQFKLOP-GUTXKFCHSA-N 1 1 347.394 0.872 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)C3CC=CC3)CC2)CC1 ZINC000985824525 749177512 /nfs/dbraw/zinc/17/75/12/749177512.db2.gz HDLCBEFNSQGKSH-UHFFFAOYSA-N 1 1 344.459 0.858 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 ZINC000980207393 749185783 /nfs/dbraw/zinc/18/57/83/749185783.db2.gz JHLGYQWVNAJTHH-ZNMIVQPWSA-N 1 1 348.447 0.673 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]2C1 ZINC000980211853 749192239 /nfs/dbraw/zinc/19/22/39/749192239.db2.gz UWAMJHWICNVYEI-MELADBBJSA-N 1 1 348.447 0.720 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC000980219366 749215142 /nfs/dbraw/zinc/21/51/42/749215142.db2.gz OIXLZMAQWHVQNP-SOUVJXGZSA-N 1 1 346.431 0.168 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CCN(C(N)=O)CC3)C[C@@H]2C1 ZINC000980252755 749258329 /nfs/dbraw/zinc/25/83/29/749258329.db2.gz LHLKIZJVHVQNGC-XHSDSOJGSA-N 1 1 332.448 0.627 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CCNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001059674751 749342789 /nfs/dbraw/zinc/34/27/89/749342789.db2.gz UAVGEUVJIJFOFY-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001059674933 749345253 /nfs/dbraw/zinc/34/52/53/749345253.db2.gz XDHLGXAROXWIPN-CVEARBPZSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]c(C)c(C(N)=O)c3CC)[C@@H]2C1 ZINC001075879973 749378068 /nfs/dbraw/zinc/37/80/68/749378068.db2.gz AONUIUDWULMNAX-GXTWGEPZSA-N 1 1 328.416 0.764 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCCNc2nccnc2C#N)C1 ZINC001114946398 749401546 /nfs/dbraw/zinc/40/15/46/749401546.db2.gz KTUKCRKLQFYCDA-ZFWWWQNUSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCCNc2nccnc2C#N)C1 ZINC001114946398 749401552 /nfs/dbraw/zinc/40/15/52/749401552.db2.gz KTUKCRKLQFYCDA-ZFWWWQNUSA-N 1 1 346.435 0.766 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@H]2CCC[N@@H+]2Cc2nnn(C)n2)CC1 ZINC001004398447 749465525 /nfs/dbraw/zinc/46/55/25/749465525.db2.gz SXENJTWZMWHFGA-GXTWGEPZSA-N 1 1 331.424 0.573 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@H]2CCC[N@H+]2Cc2nnn(C)n2)CC1 ZINC001004398447 749465530 /nfs/dbraw/zinc/46/55/30/749465530.db2.gz SXENJTWZMWHFGA-GXTWGEPZSA-N 1 1 331.424 0.573 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001027929596 749514677 /nfs/dbraw/zinc/51/46/77/749514677.db2.gz LKBDEPKLJANMLZ-LBPRGKRZSA-N 1 1 327.388 0.891 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001004547033 749608653 /nfs/dbraw/zinc/60/86/53/749608653.db2.gz KRLDFLOKFBZYMJ-OWCLPIDISA-N 1 1 335.448 0.908 20 30 ECEDMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000986181110 749639972 /nfs/dbraw/zinc/63/99/72/749639972.db2.gz FVERISUCWLCZFX-MFKMUULPSA-N 1 1 340.391 0.601 20 30 ECEDMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)n1C ZINC000986181942 749640655 /nfs/dbraw/zinc/64/06/55/749640655.db2.gz HHRWEGWYIOJDAN-YPMHNXCESA-N 1 1 341.419 0.970 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001004576125 749649132 /nfs/dbraw/zinc/64/91/32/749649132.db2.gz CSQAVQSWHCBUKD-LSDHHAIUSA-N 1 1 348.447 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O ZINC000980539428 749709616 /nfs/dbraw/zinc/70/96/16/749709616.db2.gz QWQXTLBLMMRSMV-CABCVRRESA-N 1 1 331.420 0.203 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004634922 749714618 /nfs/dbraw/zinc/71/46/18/749714618.db2.gz OUEOEYCAURVQEL-JKSUJKDBSA-N 1 1 345.443 0.766 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000980550615 749737349 /nfs/dbraw/zinc/73/73/49/749737349.db2.gz SARUGZZXOJSTRG-NZBPQXDJSA-N 1 1 343.431 0.709 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001058843522 750049848 /nfs/dbraw/zinc/04/98/48/750049848.db2.gz DJGFROHSUMNYMU-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO Cn1ncnc1C[N@H+](C)CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001029956866 750071436 /nfs/dbraw/zinc/07/14/36/750071436.db2.gz ICKLRCHOBXESJF-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1ncnc1C[N@@H+](C)CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001029956866 750071445 /nfs/dbraw/zinc/07/14/45/750071445.db2.gz ICKLRCHOBXESJF-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1cc(C[N@H+](C)CC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)nn1 ZINC001029957246 750072433 /nfs/dbraw/zinc/07/24/33/750072433.db2.gz XXMZQHLNFLYQQR-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1cc(C[N@@H+](C)CC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)nn1 ZINC001029957246 750072441 /nfs/dbraw/zinc/07/24/41/750072441.db2.gz XXMZQHLNFLYQQR-UHFFFAOYSA-N 1 1 341.419 0.999 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cn3cc(C)cn3)CC2)C1=O ZINC000980792649 750150664 /nfs/dbraw/zinc/15/06/64/750150664.db2.gz RBQJCXOLRGSJJN-MRXNPFEDSA-N 1 1 345.447 0.513 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cn3cc(C)cn3)CC2)C1=O ZINC000980792649 750150668 /nfs/dbraw/zinc/15/06/68/750150668.db2.gz RBQJCXOLRGSJJN-MRXNPFEDSA-N 1 1 345.447 0.513 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(C[N@H+](C)Cc2nc(=O)n(C)[nH]2)CC1 ZINC001029983615 750212385 /nfs/dbraw/zinc/21/23/85/750212385.db2.gz KPFYKVRGNYDKHK-UHFFFAOYSA-N 1 1 335.452 0.991 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2c[nH]nc2CC)C1=O ZINC001027990242 750242152 /nfs/dbraw/zinc/24/21/52/750242152.db2.gz SUEQRGHZMNGMHB-XJKSGUPXSA-N 1 1 345.447 0.953 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c[nH]nc2CC)C1=O ZINC001027990242 750242154 /nfs/dbraw/zinc/24/21/54/750242154.db2.gz SUEQRGHZMNGMHB-XJKSGUPXSA-N 1 1 345.447 0.953 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000980839518 750245072 /nfs/dbraw/zinc/24/50/72/750245072.db2.gz HWKFKMMMCUXHSF-GFCCVEGCSA-N 1 1 335.408 0.011 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000980839518 750245078 /nfs/dbraw/zinc/24/50/78/750245078.db2.gz HWKFKMMMCUXHSF-GFCCVEGCSA-N 1 1 335.408 0.011 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001027999645 750281922 /nfs/dbraw/zinc/28/19/22/750281922.db2.gz MFFUFMMHQDBAMV-CYBMUJFWSA-N 1 1 328.372 0.630 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cccc(=O)[nH]3)CC2)C1=O ZINC000980907273 750339357 /nfs/dbraw/zinc/33/93/57/750339357.db2.gz SFWXUWCEENTPEZ-HNNXBMFYSA-N 1 1 344.415 0.722 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cccc(=O)[nH]3)CC2)C1=O ZINC000980907273 750339360 /nfs/dbraw/zinc/33/93/60/750339360.db2.gz SFWXUWCEENTPEZ-HNNXBMFYSA-N 1 1 344.415 0.722 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC(N)=O ZINC001028009400 750345302 /nfs/dbraw/zinc/34/53/02/750345302.db2.gz LDFNLUHCDNNLNT-CQSZACIVSA-N 1 1 329.400 0.768 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[N@H+](CCN3C(=O)CCC3=O)CC2)c1 ZINC000980917408 750352693 /nfs/dbraw/zinc/35/26/93/750352693.db2.gz NMAWZEKWDHRNSC-UHFFFAOYSA-N 1 1 343.387 0.183 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[N@@H+](CCN3C(=O)CCC3=O)CC2)c1 ZINC000980917408 750352697 /nfs/dbraw/zinc/35/26/97/750352697.db2.gz NMAWZEKWDHRNSC-UHFFFAOYSA-N 1 1 343.387 0.183 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN2CCCC2)CC1 ZINC001168162066 750385775 /nfs/dbraw/zinc/38/57/75/750385775.db2.gz DVYXBKSTNONSFY-OAHLLOKOSA-N 1 1 336.480 0.649 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029990213 750422038 /nfs/dbraw/zinc/42/20/38/750422038.db2.gz NOXVMVYVZFGJCH-UHFFFAOYSA-N 1 1 332.379 0.853 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCc4ncnn43)CC2)[nH]1 ZINC000980992008 750428267 /nfs/dbraw/zinc/42/82/67/750428267.db2.gz XYEGSHCGLLZZEK-AWEZNQCLSA-N 1 1 339.403 0.813 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3CCCCO3)CC2)C1=O ZINC000980984415 750431586 /nfs/dbraw/zinc/43/15/86/750431586.db2.gz KCVCPBFPLYGPRU-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3CCCCO3)CC2)C1=O ZINC000980984415 750431590 /nfs/dbraw/zinc/43/15/90/750431590.db2.gz KCVCPBFPLYGPRU-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)CCOC3)C2)nn1 ZINC001105349684 750441484 /nfs/dbraw/zinc/44/14/84/750441484.db2.gz OGJQLDHENNQRTE-KRWDZBQOSA-N 1 1 349.435 0.380 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)cc1 ZINC001028066696 750464540 /nfs/dbraw/zinc/46/45/40/750464540.db2.gz GSTHVHAZNUGJSU-CVEARBPZSA-N 1 1 339.395 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)cc1 ZINC001028066696 750464543 /nfs/dbraw/zinc/46/45/43/750464543.db2.gz GSTHVHAZNUGJSU-CVEARBPZSA-N 1 1 339.395 0.667 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)c1 ZINC001028071295 750483073 /nfs/dbraw/zinc/48/30/73/750483073.db2.gz AXBXFXJBFRQNSO-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)c1 ZINC001028071295 750483074 /nfs/dbraw/zinc/48/30/74/750483074.db2.gz AXBXFXJBFRQNSO-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cc(C)on2)C1 ZINC001005653568 750492342 /nfs/dbraw/zinc/49/23/42/750492342.db2.gz NQONRFNOXSWWHX-BBRMVZONSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cc(C)on2)C1 ZINC001005653568 750492344 /nfs/dbraw/zinc/49/23/44/750492344.db2.gz NQONRFNOXSWWHX-BBRMVZONSA-N 1 1 344.415 0.657 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)NC1=O ZINC001028075729 750519405 /nfs/dbraw/zinc/51/94/05/750519405.db2.gz BRRNWOWDBOMZDJ-CVEARBPZSA-N 1 1 341.415 0.662 20 30 ECEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000981276333 750523439 /nfs/dbraw/zinc/52/34/39/750523439.db2.gz LQKNOPOVNPBVGD-INIZCTEOSA-N 1 1 337.464 0.982 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2C#N)NC1=O ZINC001028076272 750541830 /nfs/dbraw/zinc/54/18/30/750541830.db2.gz KRRGLYZEFOCPKX-CVEARBPZSA-N 1 1 341.415 0.662 20 30 ECEDMO CN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2C#N)NC1=O ZINC001028076272 750541831 /nfs/dbraw/zinc/54/18/31/750541831.db2.gz KRRGLYZEFOCPKX-CVEARBPZSA-N 1 1 341.415 0.662 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)n1 ZINC001028079058 750559565 /nfs/dbraw/zinc/55/95/65/750559565.db2.gz YTINXACTTNRVKM-CYBMUJFWSA-N 1 1 343.366 0.615 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)n1 ZINC001028079058 750559568 /nfs/dbraw/zinc/55/95/68/750559568.db2.gz YTINXACTTNRVKM-CYBMUJFWSA-N 1 1 343.366 0.615 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cnsn2)C1 ZINC001005748913 750588463 /nfs/dbraw/zinc/58/84/63/750588463.db2.gz JEBWWANIVCJZGE-RISCZKNCSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cnsn2)C1 ZINC001005748913 750588467 /nfs/dbraw/zinc/58/84/67/750588467.db2.gz JEBWWANIVCJZGE-RISCZKNCSA-N 1 1 347.444 0.212 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccon2)C1 ZINC001005754668 750595932 /nfs/dbraw/zinc/59/59/32/750595932.db2.gz GSSBQTVPMULRNN-WFASDCNBSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccon2)C1 ZINC001005754668 750595935 /nfs/dbraw/zinc/59/59/35/750595935.db2.gz GSSBQTVPMULRNN-WFASDCNBSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nc(CC)no2)CC1 ZINC000981365500 750628101 /nfs/dbraw/zinc/62/81/01/750628101.db2.gz OLAUXMQNBULTFK-HNNXBMFYSA-N 1 1 345.447 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nc(CC)no2)CC1 ZINC000981365500 750628106 /nfs/dbraw/zinc/62/81/06/750628106.db2.gz OLAUXMQNBULTFK-HNNXBMFYSA-N 1 1 345.447 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN([C@@H]2CCN(CC)C2=O)CC1 ZINC000981365168 750628290 /nfs/dbraw/zinc/62/82/90/750628290.db2.gz JIYJWBWLKSTJFZ-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN([C@@H]2CCN(CC)C2=O)CC1 ZINC000981365168 750628293 /nfs/dbraw/zinc/62/82/93/750628293.db2.gz JIYJWBWLKSTJFZ-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3c(C)ncn3C)CC2)C1=O ZINC000981387180 750641808 /nfs/dbraw/zinc/64/18/08/750641808.db2.gz CWBJGYFASBPCLS-HNNXBMFYSA-N 1 1 345.447 0.663 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3c(C)ncn3C)CC2)C1=O ZINC000981387180 750641814 /nfs/dbraw/zinc/64/18/14/750641814.db2.gz CWBJGYFASBPCLS-HNNXBMFYSA-N 1 1 345.447 0.663 20 30 ECEDMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001005803754 750654671 /nfs/dbraw/zinc/65/46/71/750654671.db2.gz KWQRZEHEMWSUTN-ABAIWWIYSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCn1cc(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001005825529 750692751 /nfs/dbraw/zinc/69/27/51/750692751.db2.gz YATWJYQCZZENFX-DOMZBBRYSA-N 1 1 346.435 0.135 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001005862318 750741746 /nfs/dbraw/zinc/74/17/46/750741746.db2.gz LILFQIZCAWBJIP-XHDPSFHLSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccn(C)c2)C1 ZINC001005905143 750782464 /nfs/dbraw/zinc/78/24/64/750782464.db2.gz HLVOGMLJHSOZLV-PBHICJAKSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccn(C)c2)C1 ZINC001005905143 750782468 /nfs/dbraw/zinc/78/24/68/750782468.db2.gz HLVOGMLJHSOZLV-PBHICJAKSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H](NCc3cnon3)C2)CC1 ZINC000981539875 750789161 /nfs/dbraw/zinc/78/91/61/750789161.db2.gz AFLLKYPQSPZQHO-HOTGVXAUSA-N 1 1 345.447 0.932 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)nn1 ZINC001098640956 750813910 /nfs/dbraw/zinc/81/39/10/750813910.db2.gz ORBJVEQNJLOFLP-AWEZNQCLSA-N 1 1 329.408 0.981 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2ccccc2OCC(N)=O)CC1 ZINC000981586234 750825544 /nfs/dbraw/zinc/82/55/44/750825544.db2.gz BETIZRMCLPDWTQ-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2ccccc2OCC(N)=O)CC1 ZINC000981587124 750826968 /nfs/dbraw/zinc/82/69/68/750826968.db2.gz VLBMGGDDCUWIDU-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2ccccc2OCC(N)=O)CC1 ZINC000981587124 750826976 /nfs/dbraw/zinc/82/69/76/750826976.db2.gz VLBMGGDDCUWIDU-UHFFFAOYSA-N 1 1 329.400 0.722 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000981625773 750898454 /nfs/dbraw/zinc/89/84/54/750898454.db2.gz SDJKCRTYUOSTBS-YVSFHVDLSA-N 1 1 347.459 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC000981625773 750898460 /nfs/dbraw/zinc/89/84/60/750898460.db2.gz SDJKCRTYUOSTBS-YVSFHVDLSA-N 1 1 347.459 0.664 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001005998768 750906585 /nfs/dbraw/zinc/90/65/85/750906585.db2.gz VNZRTPRDTHUHTP-QWHCGFSZSA-N 1 1 329.828 0.695 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1 ZINC001028110888 750924266 /nfs/dbraw/zinc/92/42/66/750924266.db2.gz UYTMDVUQUHBCRM-GJZGRUSLSA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1 ZINC001028110885 750924595 /nfs/dbraw/zinc/92/45/95/750924595.db2.gz UYTMDVUQUHBCRM-CABCVRRESA-N 1 1 327.388 0.320 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](OC)C(F)(F)F)C2)nn1 ZINC001105357628 750938322 /nfs/dbraw/zinc/93/83/22/750938322.db2.gz HOCGRTFEIDADAK-GFCCVEGCSA-N 1 1 347.341 0.904 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N1CCO[C@H](C)C1)C2 ZINC000981669470 750948498 /nfs/dbraw/zinc/94/84/98/750948498.db2.gz NGTMTOSLBOQLFP-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)N1CCO[C@H](C)C1)C2 ZINC000981669470 750948500 /nfs/dbraw/zinc/94/85/00/750948500.db2.gz NGTMTOSLBOQLFP-LSDHHAIUSA-N 1 1 348.447 0.318 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)CC[N@H+]1C ZINC000987547488 750959575 /nfs/dbraw/zinc/95/95/75/750959575.db2.gz RBVBFMZWNKRHSH-GBOPCIDUSA-N 1 1 343.431 0.946 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[n-]2)CC1 ZINC001028114733 750961548 /nfs/dbraw/zinc/96/15/48/750961548.db2.gz NWNDOALJJALMBN-CQSZACIVSA-N 1 1 333.436 0.935 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cn(C)c(=O)[nH]2)C1=O ZINC001028115319 750975610 /nfs/dbraw/zinc/97/56/10/750975610.db2.gz JGQLTKPOMVAMDR-GXTWGEPZSA-N 1 1 347.419 0.107 20 30 ECEDMO C=CCC[N@@H+]1CCCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC000981721312 751012684 /nfs/dbraw/zinc/01/26/84/751012684.db2.gz ARUVAGVDFHRNIF-UHFFFAOYSA-N 1 1 330.396 0.418 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000987626366 751045500 /nfs/dbraw/zinc/04/55/00/751045500.db2.gz VGYOWHILSXNEPD-OCCSQVGLSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C2)C1 ZINC000981771972 751082418 /nfs/dbraw/zinc/08/24/18/751082418.db2.gz IAWZFJIUVYNIJD-UHFFFAOYSA-N 1 1 333.432 0.882 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)CN3CCCS3(=O)=O)C2)C1 ZINC000981803085 751120594 /nfs/dbraw/zinc/12/05/94/751120594.db2.gz RCKUEHDDZGARSF-UHFFFAOYSA-N 1 1 341.477 0.522 20 30 ECEDMO C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000981852888 751197153 /nfs/dbraw/zinc/19/71/53/751197153.db2.gz AANHFWGVVFWEQT-ZDUSSCGKSA-N 1 1 331.420 0.657 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC1 ZINC001028142463 751200213 /nfs/dbraw/zinc/20/02/13/751200213.db2.gz MOLAQCAOSDVQIV-OAGGEKHMSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001028142463 751200215 /nfs/dbraw/zinc/20/02/15/751200215.db2.gz MOLAQCAOSDVQIV-OAGGEKHMSA-N 1 1 335.448 0.779 20 30 ECEDMO N#Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)c2ccn[nH]2)CCO1 ZINC001051453654 762105236 /nfs/dbraw/zinc/10/52/36/762105236.db2.gz DOLOUDPNUOOARV-OAHLLOKOSA-N 1 1 325.372 0.912 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCN1CCCC1=O ZINC001028146676 751226367 /nfs/dbraw/zinc/22/63/67/751226367.db2.gz KJZQTWVETAECST-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(S(N)(=O)=O)o3)C2)C1 ZINC000981871023 751226699 /nfs/dbraw/zinc/22/66/99/751226699.db2.gz MUWGBRMVDKYHGC-UHFFFAOYSA-N 1 1 337.401 0.098 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCC3)CC2)cn1 ZINC001006309120 751226868 /nfs/dbraw/zinc/22/68/68/751226868.db2.gz DZIKEJPXGKJXTB-UHFFFAOYSA-N 1 1 340.427 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cocn2)C1 ZINC001006322011 751243929 /nfs/dbraw/zinc/24/39/29/751243929.db2.gz TYRWGIRNKZFNPC-WFASDCNBSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cocn2)C1 ZINC001006322011 751243934 /nfs/dbraw/zinc/24/39/34/751243934.db2.gz TYRWGIRNKZFNPC-WFASDCNBSA-N 1 1 330.388 0.349 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3COCCN3CC(F)F)C2)C1 ZINC000981914864 751273395 /nfs/dbraw/zinc/27/33/95/751273395.db2.gz SEDLKKBBOKBHEF-AWEZNQCLSA-N 1 1 341.402 0.510 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001006355165 751283135 /nfs/dbraw/zinc/28/31/35/751283135.db2.gz IXRUDTAFEZRZGB-QWRGUYRKSA-N 1 1 333.392 0.473 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCC(=O)NCCC)C2)nn1 ZINC001105363398 752357691 /nfs/dbraw/zinc/35/76/91/752357691.db2.gz ZELQWPGYESFVFO-UHFFFAOYSA-N 1 1 348.451 0.634 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001028335538 752419967 /nfs/dbraw/zinc/41/99/67/752419967.db2.gz XGOXFDUECLQJDH-ZDUSSCGKSA-N 1 1 334.424 0.137 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCCC(=O)N(C)C)C2)nn1 ZINC001105365533 752437945 /nfs/dbraw/zinc/43/79/45/752437945.db2.gz YSKNRWLMLIXRHB-UHFFFAOYSA-N 1 1 348.451 0.586 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001007519017 752474819 /nfs/dbraw/zinc/47/48/19/752474819.db2.gz GVZIJYNLHYQSLS-IRXDYDNUSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC001007519017 752474820 /nfs/dbraw/zinc/47/48/20/752474820.db2.gz GVZIJYNLHYQSLS-IRXDYDNUSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001007519017 752474821 /nfs/dbraw/zinc/47/48/21/752474821.db2.gz GVZIJYNLHYQSLS-IRXDYDNUSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC001007519017 752474822 /nfs/dbraw/zinc/47/48/22/752474822.db2.gz GVZIJYNLHYQSLS-IRXDYDNUSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(=O)N2CCCC2)C1 ZINC001007519428 752475757 /nfs/dbraw/zinc/47/57/57/752475757.db2.gz RICQWLNKSFUFPI-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(=O)N2CCCC2)C1 ZINC001007519428 752475764 /nfs/dbraw/zinc/47/57/64/752475764.db2.gz RICQWLNKSFUFPI-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nccnc2C)C1 ZINC001007520202 752477223 /nfs/dbraw/zinc/47/72/23/752477223.db2.gz YPBYSCRCDMSHJA-AEFFLSMTSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nccnc2C)C1 ZINC001007520202 752477227 /nfs/dbraw/zinc/47/72/27/752477227.db2.gz YPBYSCRCDMSHJA-AEFFLSMTSA-N 1 1 341.459 0.963 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001007549569 752514660 /nfs/dbraw/zinc/51/46/60/752514660.db2.gz AORSMIQXVTWXOM-CHWSQXEVSA-N 1 1 347.419 0.405 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001007549569 752514664 /nfs/dbraw/zinc/51/46/64/752514664.db2.gz AORSMIQXVTWXOM-CHWSQXEVSA-N 1 1 347.419 0.405 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)NC(=O)CC)C2)nn1 ZINC001098678347 752517315 /nfs/dbraw/zinc/51/73/15/752517315.db2.gz HJMQEEPWUCDGIY-GXTWGEPZSA-N 1 1 334.424 0.242 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NCc3nccn3C)C2)CC1 ZINC001021092323 752532908 /nfs/dbraw/zinc/53/29/08/752532908.db2.gz KFKBIYVNQSKQIL-WKILWMFISA-N 1 1 329.448 0.502 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001028389992 752538549 /nfs/dbraw/zinc/53/85/49/752538549.db2.gz KNTNTNSQUGQBEJ-GXTWGEPZSA-N 1 1 345.403 0.021 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccnn2)[C@@H]1C ZINC000988738737 752641906 /nfs/dbraw/zinc/64/19/06/752641906.db2.gz SEENIXQKCNFTGX-YCPHGPKFSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cccnn2)[C@@H]1C ZINC000988738737 752641912 /nfs/dbraw/zinc/64/19/12/752641912.db2.gz SEENIXQKCNFTGX-YCPHGPKFSA-N 1 1 341.415 0.293 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3ccnn3C)C2)C1=O ZINC001028439460 752643947 /nfs/dbraw/zinc/64/39/47/752643947.db2.gz TZBSTBVGIQHCJW-DZGCQCFKSA-N 1 1 331.420 0.259 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000938028548 752671633 /nfs/dbraw/zinc/67/16/33/752671633.db2.gz RJSYKVHOAJGTKP-JONQDZQNSA-N 1 1 335.448 0.779 20 30 ECEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CCOCC=C)C[C@H]1OC ZINC001212092977 752713932 /nfs/dbraw/zinc/71/39/32/752713932.db2.gz ZLEBJYFEJYBEAW-HZPDHXFCSA-N 1 1 326.437 0.987 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001007655367 752721558 /nfs/dbraw/zinc/72/15/58/752721558.db2.gz HELKVCGDQLDGTB-SUMWQHHRSA-N 1 1 345.403 0.181 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)nn1 ZINC001098645529 752728205 /nfs/dbraw/zinc/72/82/05/752728205.db2.gz PFBFBSMAEBALKV-CQSZACIVSA-N 1 1 329.408 0.683 20 30 ECEDMO CN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464766 752753624 /nfs/dbraw/zinc/75/36/24/752753624.db2.gz FEPHXWUWEMNITI-CJNGLKHVSA-N 1 1 348.472 0.888 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001028467751 752760921 /nfs/dbraw/zinc/76/09/21/752760921.db2.gz HDYZBQGCRGMKJW-SWLSCSKDSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)C)CCO2 ZINC001007675461 752766191 /nfs/dbraw/zinc/76/61/91/752766191.db2.gz OCDIIRYDXHNMNO-LPHOPBHVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)C)CCO2 ZINC001007675461 752766198 /nfs/dbraw/zinc/76/61/98/752766198.db2.gz OCDIIRYDXHNMNO-LPHOPBHVSA-N 1 1 347.459 0.570 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cc1=O ZINC001028471472 752774437 /nfs/dbraw/zinc/77/44/37/752774437.db2.gz ZJIUOJIMOLYLSD-AWEZNQCLSA-N 1 1 339.399 0.837 20 30 ECEDMO COCCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccnc(C#N)n1 ZINC001126372387 752793254 /nfs/dbraw/zinc/79/32/54/752793254.db2.gz CQAVIHHJCWJWEP-CQSZACIVSA-N 1 1 346.435 0.259 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001028490325 752830157 /nfs/dbraw/zinc/83/01/57/752830157.db2.gz KEWAYJYHTJSLBX-MSOLQXFVSA-N 1 1 342.443 0.827 20 30 ECEDMO CCn1cc(C[N@@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001028491590 752836049 /nfs/dbraw/zinc/83/60/49/752836049.db2.gz CBTFLDZHZIYKMM-LBPRGKRZSA-N 1 1 327.392 0.750 20 30 ECEDMO CCn1cc(C[N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001028491590 752836056 /nfs/dbraw/zinc/83/60/56/752836056.db2.gz CBTFLDZHZIYKMM-LBPRGKRZSA-N 1 1 327.392 0.750 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cocn2)C1 ZINC000982543791 752842530 /nfs/dbraw/zinc/84/25/30/752842530.db2.gz QTMIKKDZGSWCNX-HIFRSBDPSA-N 1 1 330.388 0.351 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cocn2)C1 ZINC000982543791 752842536 /nfs/dbraw/zinc/84/25/36/752842536.db2.gz QTMIKKDZGSWCNX-HIFRSBDPSA-N 1 1 330.388 0.351 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001007717447 752854531 /nfs/dbraw/zinc/85/45/31/752854531.db2.gz KMGHEEIWIDUMEI-SUMWQHHRSA-N 1 1 345.403 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000982559313 752903283 /nfs/dbraw/zinc/90/32/83/752903283.db2.gz NCZNKLWKYRXKAG-ZBFHGGJFSA-N 1 1 344.415 0.279 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000982559313 752903285 /nfs/dbraw/zinc/90/32/85/752903285.db2.gz NCZNKLWKYRXKAG-ZBFHGGJFSA-N 1 1 344.415 0.279 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001059931927 752911673 /nfs/dbraw/zinc/91/16/73/752911673.db2.gz YKJABXNFVJGEON-HUUCEWRRSA-N 1 1 342.447 0.941 20 30 ECEDMO CCCCn1nnnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)C#CC2CC2)C1 ZINC000988811926 752914782 /nfs/dbraw/zinc/91/47/82/752914782.db2.gz LOLMQRKVJZYZPE-HIFRSBDPSA-N 1 1 330.436 0.966 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cncn3C)C2)C1=O ZINC001007813549 752955566 /nfs/dbraw/zinc/95/55/66/752955566.db2.gz UYZYFQWXKWIBRV-KBPBESRZSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cncn3C)C2)C1=O ZINC001007813549 752955570 /nfs/dbraw/zinc/95/55/70/752955570.db2.gz UYZYFQWXKWIBRV-KBPBESRZSA-N 1 1 331.420 0.401 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001007842585 752979414 /nfs/dbraw/zinc/97/94/14/752979414.db2.gz BWMAWDGDHOXUIQ-CQSZACIVSA-N 1 1 334.420 0.660 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000982602537 753028843 /nfs/dbraw/zinc/02/88/43/753028843.db2.gz AKSKHTLQYDSVKQ-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000989066239 753203905 /nfs/dbraw/zinc/20/39/05/753203905.db2.gz RTKBAHGFMIAQPR-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000989066239 753203908 /nfs/dbraw/zinc/20/39/08/753203908.db2.gz RTKBAHGFMIAQPR-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001008050897 753241639 /nfs/dbraw/zinc/24/16/39/753241639.db2.gz FGCLHKQTJASXQR-CYBMUJFWSA-N 1 1 327.392 0.828 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)C1 ZINC001008076403 753280249 /nfs/dbraw/zinc/28/02/49/753280249.db2.gz OMQFADLVIZUXDR-IUODEOHRSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@]2(C)C1 ZINC000982679690 753284995 /nfs/dbraw/zinc/28/49/95/753284995.db2.gz MLKIYQCVQUHDPB-HDICACEKSA-N 1 1 328.416 0.921 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C3CCC3)n2C)C1 ZINC001051494996 762207606 /nfs/dbraw/zinc/20/76/06/762207606.db2.gz PUJAVTMQTKWQRY-JSGCOSHPSA-N 1 1 346.435 0.559 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001051495467 762208708 /nfs/dbraw/zinc/20/87/08/762208708.db2.gz VCQNXCOLVNLTKB-AAEUAGOBSA-N 1 1 332.408 0.169 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1nc3ncccn3n1)C2 ZINC001054239306 767849853 /nfs/dbraw/zinc/84/98/53/767849853.db2.gz GKDKEVZUNUKMQU-SFHVURJKSA-N 1 1 338.415 0.615 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1F ZINC001008176793 753425379 /nfs/dbraw/zinc/42/53/79/753425379.db2.gz LJCDNTMSFWMRDP-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1F ZINC001008176793 753425383 /nfs/dbraw/zinc/42/53/83/753425383.db2.gz LJCDNTMSFWMRDP-LSDHHAIUSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000982735164 753441645 /nfs/dbraw/zinc/44/16/45/753441645.db2.gz SEFCKNNXDUKVHO-KGLIPLIRSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000982735164 753441650 /nfs/dbraw/zinc/44/16/50/753441650.db2.gz SEFCKNNXDUKVHO-KGLIPLIRSA-N 1 1 329.404 0.086 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)[C@@H]1C ZINC001088630953 753443062 /nfs/dbraw/zinc/44/30/62/753443062.db2.gz JQHFOONYNNMJKB-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)[C@@H]1C ZINC001088630953 753443070 /nfs/dbraw/zinc/44/30/70/753443070.db2.gz JQHFOONYNNMJKB-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001008229589 753486984 /nfs/dbraw/zinc/48/69/84/753486984.db2.gz LHRCMVILVYUVJL-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001008229589 753486988 /nfs/dbraw/zinc/48/69/88/753486988.db2.gz LHRCMVILVYUVJL-LSDHHAIUSA-N 1 1 345.447 0.710 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)(C)O)CC1(C)C ZINC001008276172 753537857 /nfs/dbraw/zinc/53/78/57/753537857.db2.gz ISRJFHUPZFXWGD-LSDHHAIUSA-N 1 1 349.475 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)(C)O)CC1(C)C ZINC001008276172 753537861 /nfs/dbraw/zinc/53/78/61/753537861.db2.gz ISRJFHUPZFXWGD-LSDHHAIUSA-N 1 1 349.475 0.598 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)O1 ZINC001008287741 753551568 /nfs/dbraw/zinc/55/15/68/753551568.db2.gz OOAYJJHZUOURLG-BMFZPTHFSA-N 1 1 347.459 0.472 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)O1 ZINC001008287741 753551573 /nfs/dbraw/zinc/55/15/73/753551573.db2.gz OOAYJJHZUOURLG-BMFZPTHFSA-N 1 1 347.459 0.472 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)cn1 ZINC001083333553 753589743 /nfs/dbraw/zinc/58/97/43/753589743.db2.gz ZNHQBJFNJAFOGD-CVEARBPZSA-N 1 1 325.372 0.267 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)cn1 ZINC001083333553 753589748 /nfs/dbraw/zinc/58/97/48/753589748.db2.gz ZNHQBJFNJAFOGD-CVEARBPZSA-N 1 1 325.372 0.267 20 30 ECEDMO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CNC(=O)N1 ZINC001008369399 753666108 /nfs/dbraw/zinc/66/61/08/753666108.db2.gz CJTTZOVPBMTNCS-HZPDHXFCSA-N 1 1 326.400 0.300 20 30 ECEDMO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CNC(=O)N1 ZINC001008369399 753666114 /nfs/dbraw/zinc/66/61/14/753666114.db2.gz CJTTZOVPBMTNCS-HZPDHXFCSA-N 1 1 326.400 0.300 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n(C)n1 ZINC001083358058 753667123 /nfs/dbraw/zinc/66/71/23/753667123.db2.gz SDZGZHBVPKMYSV-WBVHZDCISA-N 1 1 339.399 0.575 20 30 ECEDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n(C)n1 ZINC001083358058 753667128 /nfs/dbraw/zinc/66/71/28/753667128.db2.gz SDZGZHBVPKMYSV-WBVHZDCISA-N 1 1 339.399 0.575 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)nn1 ZINC001098683064 753693522 /nfs/dbraw/zinc/69/35/22/753693522.db2.gz ORYAWXXNRSWVNM-ZDUSSCGKSA-N 1 1 334.424 0.229 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ncccn2)C1 ZINC001028601696 753882045 /nfs/dbraw/zinc/88/20/45/753882045.db2.gz TYQGJJUEBIGACL-CVEARBPZSA-N 1 1 327.432 0.512 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ncccn2)C1 ZINC001028601696 753882052 /nfs/dbraw/zinc/88/20/52/753882052.db2.gz TYQGJJUEBIGACL-CVEARBPZSA-N 1 1 327.432 0.512 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008548990 753901132 /nfs/dbraw/zinc/90/11/32/753901132.db2.gz ZCHOAYPMYBTEDJ-BBWFWOEESA-N 1 1 325.412 0.740 20 30 ECEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008548990 753901139 /nfs/dbraw/zinc/90/11/39/753901139.db2.gz ZCHOAYPMYBTEDJ-BBWFWOEESA-N 1 1 325.412 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nc(CC)no2)C1 ZINC001028604007 753901872 /nfs/dbraw/zinc/90/18/72/753901872.db2.gz NZAHHUYUEIVBQX-GJZGRUSLSA-N 1 1 345.447 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nc(CC)no2)C1 ZINC001028604007 753901874 /nfs/dbraw/zinc/90/18/74/753901874.db2.gz NZAHHUYUEIVBQX-GJZGRUSLSA-N 1 1 345.447 0.668 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2cn(C3CCOCC3)nn2)CC1 ZINC000989434377 753910157 /nfs/dbraw/zinc/91/01/57/753910157.db2.gz UGEMAISDQZQEBM-UHFFFAOYSA-N 1 1 331.420 0.801 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2cn(C3CCOCC3)nn2)CC1 ZINC000989434377 753910161 /nfs/dbraw/zinc/91/01/61/753910161.db2.gz UGEMAISDQZQEBM-UHFFFAOYSA-N 1 1 331.420 0.801 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3[nH]c(=O)[nH]c3C)C2)C1=O ZINC001028612989 753925135 /nfs/dbraw/zinc/92/51/35/753925135.db2.gz MAPYHCCDZYZKBS-CHWSQXEVSA-N 1 1 347.419 0.262 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001149137556 753936914 /nfs/dbraw/zinc/93/69/14/753936914.db2.gz PUWCDGGDRPRQCU-ZIAGYGMSSA-N 1 1 334.420 0.526 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001149137556 753936918 /nfs/dbraw/zinc/93/69/18/753936918.db2.gz PUWCDGGDRPRQCU-ZIAGYGMSSA-N 1 1 334.420 0.526 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccco3)[C@@H]2C1 ZINC001008721315 754043570 /nfs/dbraw/zinc/04/35/70/754043570.db2.gz LECSGQOZCFYYFB-JONQDZQNSA-N 1 1 341.411 0.811 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccco3)[C@@H]2C1 ZINC001008721315 754043575 /nfs/dbraw/zinc/04/35/75/754043575.db2.gz LECSGQOZCFYYFB-JONQDZQNSA-N 1 1 341.411 0.811 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OCCOCC)C2)nn1 ZINC001105376859 754060767 /nfs/dbraw/zinc/06/07/67/754060767.db2.gz HCELXTNTSAQKEY-CYBMUJFWSA-N 1 1 337.424 0.379 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)CC)C1 ZINC001008746315 754069547 /nfs/dbraw/zinc/06/95/47/754069547.db2.gz NHRDMLJZTXXZHM-UPJWGTAASA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)CC)C1 ZINC001008746315 754069550 /nfs/dbraw/zinc/06/95/50/754069550.db2.gz NHRDMLJZTXXZHM-UPJWGTAASA-N 1 1 345.365 1.000 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cnn(CC)n3)C[C@@H]2C)nn1 ZINC000989537076 754081173 /nfs/dbraw/zinc/08/11/73/754081173.db2.gz RJFVPDFNMKPUJQ-QWHCGFSZSA-N 1 1 344.423 0.468 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cn(C)nn3)C[C@H]2C)nn1 ZINC000989543508 754092059 /nfs/dbraw/zinc/09/20/59/754092059.db2.gz LTSRZEOJTYGIDC-OLZOCXBDSA-N 1 1 344.423 0.376 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001008785868 754116361 /nfs/dbraw/zinc/11/63/61/754116361.db2.gz ACKXXKHCZULYPH-RDJZCZTQSA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001008785868 754116364 /nfs/dbraw/zinc/11/63/64/754116364.db2.gz ACKXXKHCZULYPH-RDJZCZTQSA-N 1 1 341.411 0.781 20 30 ECEDMO CCn1cc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)nn1 ZINC001051523684 762274624 /nfs/dbraw/zinc/27/46/24/762274624.db2.gz IYGOCSGLUGFHDB-AWEZNQCLSA-N 1 1 343.391 0.129 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+]Cc3nccs3)C2)c1 ZINC001051524797 762276101 /nfs/dbraw/zinc/27/61/01/762276101.db2.gz XQMWGDFJXSWXTK-LBPRGKRZSA-N 1 1 331.401 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccnn2C)C1 ZINC000982924485 754210259 /nfs/dbraw/zinc/21/02/59/754210259.db2.gz XYLMBHZMEYXZIE-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ccnn2C)C1 ZINC000982924485 754210263 /nfs/dbraw/zinc/21/02/63/754210263.db2.gz XYLMBHZMEYXZIE-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cnsn2)C1 ZINC000982924744 754212125 /nfs/dbraw/zinc/21/21/25/754212125.db2.gz ZRWGYUPJXGMZKD-OCCSQVGLSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cnsn2)C1 ZINC000982924744 754212130 /nfs/dbraw/zinc/21/21/30/754212130.db2.gz ZRWGYUPJXGMZKD-OCCSQVGLSA-N 1 1 347.444 0.214 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCCN(Cc3n[nH]c(C)n3)CC2)CC1 ZINC000989734900 754367335 /nfs/dbraw/zinc/36/73/35/754367335.db2.gz JTLLWLJMMOHESS-UHFFFAOYSA-N 1 1 344.463 0.493 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000982992155 754372734 /nfs/dbraw/zinc/37/27/34/754372734.db2.gz BSUZBTWLFRDJLI-ZDUSSCGKSA-N 1 1 340.387 0.670 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N1CCS[C@H](C(C)C)C1 ZINC000261835480 754428192 /nfs/dbraw/zinc/42/81/92/754428192.db2.gz VYYFGHQUNWTVML-CABCVRRESA-N 1 1 327.542 0.881 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001028671191 754528633 /nfs/dbraw/zinc/52/86/33/754528633.db2.gz GBZRJZRRUGSBAS-AWEZNQCLSA-N 1 1 329.400 0.626 20 30 ECEDMO CCOC(=O)C1CCN(C(NC[C@H]2CN(C)CCN2C)=[NH+]C)CC1 ZINC000088665118 754574317 /nfs/dbraw/zinc/57/43/17/754574317.db2.gz ZTYORFOTFGDJSS-HNNXBMFYSA-N 1 1 339.484 0.083 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc[nH]c3)[C@@H]2C1 ZINC001009145167 754578901 /nfs/dbraw/zinc/57/89/01/754578901.db2.gz HAEIERNFRCEWKE-NXOAAHMSSA-N 1 1 340.427 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc[nH]c3)[C@@H]2C1 ZINC001009145167 754578904 /nfs/dbraw/zinc/57/89/04/754578904.db2.gz HAEIERNFRCEWKE-NXOAAHMSSA-N 1 1 340.427 0.547 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001028675931 754593248 /nfs/dbraw/zinc/59/32/48/754593248.db2.gz IKOITPZKMGREDF-CQSZACIVSA-N 1 1 334.420 0.518 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001009192230 754635666 /nfs/dbraw/zinc/63/56/66/754635666.db2.gz QADJVRCSLLFUJN-FJIDUMEYSA-N 1 1 339.439 0.318 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001009192230 754635670 /nfs/dbraw/zinc/63/56/70/754635670.db2.gz QADJVRCSLLFUJN-FJIDUMEYSA-N 1 1 339.439 0.318 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccc(F)c2)C1 ZINC000990115726 754735754 /nfs/dbraw/zinc/73/57/54/754735754.db2.gz ATHLQSUDJYJGEF-INIZCTEOSA-N 1 1 329.375 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccc(F)c2)C1 ZINC000990115726 754735758 /nfs/dbraw/zinc/73/57/58/754735758.db2.gz ATHLQSUDJYJGEF-INIZCTEOSA-N 1 1 329.375 0.864 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2-n2cnnn2)[C@H]1C ZINC001088701940 754742528 /nfs/dbraw/zinc/74/25/28/754742528.db2.gz RXVSBKDAFVMESN-NEPJUHHUSA-N 1 1 330.417 0.940 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nncs3)C2)[nH]1 ZINC001051556063 762331978 /nfs/dbraw/zinc/33/19/78/762331978.db2.gz QQMCKNOVHRCDFI-NSHDSACASA-N 1 1 332.389 0.369 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C ZINC001088702586 754776647 /nfs/dbraw/zinc/77/66/47/754776647.db2.gz XTSRRAGPXYPDHE-MNOVXSKESA-N 1 1 327.406 0.696 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001028711901 754794036 /nfs/dbraw/zinc/79/40/36/754794036.db2.gz IMUHDKYUERKZTE-KBPBESRZSA-N 1 1 329.391 0.414 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC001028711646 754795700 /nfs/dbraw/zinc/79/57/00/754795700.db2.gz DDZAFOVEUDYWGQ-GJZGRUSLSA-N 1 1 330.432 0.999 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075696885 754933987 /nfs/dbraw/zinc/93/39/87/754933987.db2.gz XOYGSHSQXGTZPU-SLEUVZQESA-N 1 1 329.404 0.509 20 30 ECEDMO CN1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1=O ZINC001028749117 754963629 /nfs/dbraw/zinc/96/36/29/754963629.db2.gz DYFRDYJWTIXXDA-IAGOWNOFSA-N 1 1 340.427 0.975 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001009526560 754978888 /nfs/dbraw/zinc/97/88/88/754978888.db2.gz ZXGIKYLDSPNIPV-HOTGVXAUSA-N 1 1 345.447 0.559 20 30 ECEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001028780710 755094806 /nfs/dbraw/zinc/09/48/06/755094806.db2.gz MRZRHKCZYSXRDO-UKRRQHHQSA-N 1 1 333.432 0.976 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000983303846 755109877 /nfs/dbraw/zinc/10/98/77/755109877.db2.gz OHRKDFHVCSTLMA-KGLIPLIRSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001060034446 755160554 /nfs/dbraw/zinc/16/05/54/755160554.db2.gz IYGJZHUDAFRWGP-ZIAGYGMSSA-N 1 1 328.420 0.950 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001028808660 755198149 /nfs/dbraw/zinc/19/81/49/755198149.db2.gz CNMWAJWYTJXJTJ-XHSDSOJGSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001028809669 755198745 /nfs/dbraw/zinc/19/87/45/755198745.db2.gz MYYVLWDKBJDMJY-ZNMIVQPWSA-N 1 1 336.436 0.041 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001028812491 755205942 /nfs/dbraw/zinc/20/59/42/755205942.db2.gz DFPNFPGJSFMFBQ-KFWWJZLASA-N 1 1 349.431 0.165 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(N(C)C)cn3)C2)nn1 ZINC001105378943 755223914 /nfs/dbraw/zinc/22/39/14/755223914.db2.gz MNLJIKVBSHKINB-UHFFFAOYSA-N 1 1 341.419 0.712 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001028862465 755330942 /nfs/dbraw/zinc/33/09/42/755330942.db2.gz SETWJNLTFPXXCP-ZOBUZTSGSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001028863980 755336583 /nfs/dbraw/zinc/33/65/83/755336583.db2.gz IAWDTMHLKYTOFO-KKUMJFAQSA-N 1 1 344.477 0.450 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001028863980 755336595 /nfs/dbraw/zinc/33/65/95/755336595.db2.gz IAWDTMHLKYTOFO-KKUMJFAQSA-N 1 1 344.477 0.450 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001028868462 755345750 /nfs/dbraw/zinc/34/57/50/755345750.db2.gz DYBDGBKSPSADEZ-ZDUSSCGKSA-N 1 1 327.388 0.406 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3nccs3)C2)C1=O ZINC001028885620 755384053 /nfs/dbraw/zinc/38/40/53/755384053.db2.gz BBWSCSJBMIYPLP-QWHCGFSZSA-N 1 1 334.445 0.982 20 30 ECEDMO C#CCNC(=O)CC(=O)N[C@@H]1CCC[C@@H]1CNc1cc(C)[nH+]c(C)n1 ZINC001105664984 755500233 /nfs/dbraw/zinc/50/02/33/755500233.db2.gz MBDGYNCBRSQNJG-HUUCEWRRSA-N 1 1 343.431 0.930 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001010005865 755551150 /nfs/dbraw/zinc/55/11/50/755551150.db2.gz RVAMLADJLPSDGP-HIFRSBDPSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001010005865 755551152 /nfs/dbraw/zinc/55/11/52/755551152.db2.gz RVAMLADJLPSDGP-HIFRSBDPSA-N 1 1 329.404 0.376 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1 ZINC001075985816 755565898 /nfs/dbraw/zinc/56/58/98/755565898.db2.gz SCWAQVGRUUDGHU-DOTOQJQBSA-N 1 1 343.427 0.664 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001083482923 755640448 /nfs/dbraw/zinc/64/04/48/755640448.db2.gz AGPCEKAXCPXGNK-ILXRZTDVSA-N 1 1 335.448 0.208 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088793413 755707921 /nfs/dbraw/zinc/70/79/21/755707921.db2.gz GLYKUQKJPJUOMB-XFJVYGCCSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088793413 755707928 /nfs/dbraw/zinc/70/79/28/755707928.db2.gz GLYKUQKJPJUOMB-XFJVYGCCSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088793624 755708594 /nfs/dbraw/zinc/70/85/94/755708594.db2.gz NDRONLCUVZPKGK-XYPHTWIQSA-N 1 1 343.402 0.892 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088793624 755708598 /nfs/dbraw/zinc/70/85/98/755708598.db2.gz NDRONLCUVZPKGK-XYPHTWIQSA-N 1 1 343.402 0.892 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)[C@@H](O)C1 ZINC001083503951 755762279 /nfs/dbraw/zinc/76/22/79/755762279.db2.gz IZTHGRXMYIVKSC-OAGGEKHMSA-N 1 1 337.464 0.618 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)cc1C#N ZINC001010252536 755887252 /nfs/dbraw/zinc/88/72/52/755887252.db2.gz JEMSKCKZEWGUCA-RDJZCZTQSA-N 1 1 345.399 0.673 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)cc1C#N ZINC001010252536 755887258 /nfs/dbraw/zinc/88/72/58/755887258.db2.gz JEMSKCKZEWGUCA-RDJZCZTQSA-N 1 1 345.399 0.673 20 30 ECEDMO C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522922 755890174 /nfs/dbraw/zinc/89/01/74/755890174.db2.gz CTLDUFVJUNSXLQ-ZACQAIPSSA-N 1 1 337.464 0.367 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccnn3CC)C2)nn1 ZINC001098660175 755903478 /nfs/dbraw/zinc/90/34/78/755903478.db2.gz YJCPVQSBBQIOEM-CQSZACIVSA-N 1 1 329.408 0.857 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)[C@@H](O)C1 ZINC001083525233 755912008 /nfs/dbraw/zinc/91/20/08/755912008.db2.gz GUQNBNQICQQFMX-MNOVXSKESA-N 1 1 330.344 0.035 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)[C@@H](O)C1 ZINC001083525233 755912012 /nfs/dbraw/zinc/91/20/12/755912012.db2.gz GUQNBNQICQQFMX-MNOVXSKESA-N 1 1 330.344 0.035 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001010344359 756027414 /nfs/dbraw/zinc/02/74/14/756027414.db2.gz MKILAZYPZWAMCN-GJZGRUSLSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3cc(C)cn3)C2)C1=O ZINC001010344359 756027419 /nfs/dbraw/zinc/02/74/19/756027419.db2.gz MKILAZYPZWAMCN-GJZGRUSLSA-N 1 1 331.420 0.169 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 ZINC001076085051 756065391 /nfs/dbraw/zinc/06/53/91/756065391.db2.gz YIEYSOWPFMXHBC-XJKSGUPXSA-N 1 1 337.387 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC001010409922 756094802 /nfs/dbraw/zinc/09/48/02/756094802.db2.gz VMRUTYYOHPAGKU-INIZCTEOSA-N 1 1 343.431 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC001010409922 756094803 /nfs/dbraw/zinc/09/48/03/756094803.db2.gz VMRUTYYOHPAGKU-INIZCTEOSA-N 1 1 343.431 0.354 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)s1 ZINC001010547126 756227014 /nfs/dbraw/zinc/22/70/14/756227014.db2.gz SLMWAGLKVKUUHW-NWDGAFQWSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)s1 ZINC001010547126 756227016 /nfs/dbraw/zinc/22/70/16/756227016.db2.gz SLMWAGLKVKUUHW-NWDGAFQWSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)s1 ZINC001010547124 756227298 /nfs/dbraw/zinc/22/72/98/756227298.db2.gz SLMWAGLKVKUUHW-NEPJUHHUSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)s1 ZINC001010547124 756227300 /nfs/dbraw/zinc/22/73/00/756227300.db2.gz SLMWAGLKVKUUHW-NEPJUHHUSA-N 1 1 332.429 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)nn2C)CC1 ZINC001010550390 756230646 /nfs/dbraw/zinc/23/06/46/756230646.db2.gz ONYTVEDQNHSLAG-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(C)nn2C)CC1 ZINC001010550390 756230651 /nfs/dbraw/zinc/23/06/51/756230651.db2.gz ONYTVEDQNHSLAG-HNNXBMFYSA-N 1 1 343.431 0.111 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ccoc1 ZINC001076253106 756291432 /nfs/dbraw/zinc/29/14/32/756291432.db2.gz HGTIFNGSTDQLES-HOCLYGCPSA-N 1 1 331.416 0.931 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ccoc1 ZINC001076253106 756291437 /nfs/dbraw/zinc/29/14/37/756291437.db2.gz HGTIFNGSTDQLES-HOCLYGCPSA-N 1 1 331.416 0.931 20 30 ECEDMO CCc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)[nH]1 ZINC001051608725 762457371 /nfs/dbraw/zinc/45/73/71/762457371.db2.gz IAPNYZITJJSGDE-GXTWGEPZSA-N 1 1 331.420 0.659 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC001076268063 756305675 /nfs/dbraw/zinc/30/56/75/756305675.db2.gz ZMZGEMNRUFSKEJ-QLFBSQMISA-N 1 1 328.420 0.182 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001010622957 756316420 /nfs/dbraw/zinc/31/64/20/756316420.db2.gz BRKWZKUJWRMKIP-HIFRSBDPSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001010622957 756316423 /nfs/dbraw/zinc/31/64/23/756316423.db2.gz BRKWZKUJWRMKIP-HIFRSBDPSA-N 1 1 329.404 0.376 20 30 ECEDMO CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051610240 762461126 /nfs/dbraw/zinc/46/11/26/762461126.db2.gz BECKNNMAMYTCQC-OAHLLOKOSA-N 1 1 331.420 0.419 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)[C@@H]2C1 ZINC001076356039 756410256 /nfs/dbraw/zinc/41/02/56/756410256.db2.gz RGEOIZREYFZSHS-GXTWGEPZSA-N 1 1 325.372 0.605 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000990869545 756451206 /nfs/dbraw/zinc/45/12/06/756451206.db2.gz ZRLOSQUOIIAPLB-RYUDHWBXSA-N 1 1 329.404 0.557 20 30 ECEDMO Cn1oc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cc1=O ZINC001010773342 756505057 /nfs/dbraw/zinc/50/50/57/756505057.db2.gz LUXAEYDUFSOQQG-ZDUSSCGKSA-N 1 1 344.346 0.993 20 30 ECEDMO Cn1oc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)cc1=O ZINC001010773342 756505060 /nfs/dbraw/zinc/50/50/60/756505060.db2.gz LUXAEYDUFSOQQG-ZDUSSCGKSA-N 1 1 344.346 0.993 20 30 ECEDMO C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)CC[NH+]1CCOCC1 ZINC001076433859 756508338 /nfs/dbraw/zinc/50/83/38/756508338.db2.gz SOQITNXQCFJOGK-HNNXBMFYSA-N 1 1 337.464 0.769 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001076437443 756513207 /nfs/dbraw/zinc/51/32/07/756513207.db2.gz JMBISPXXJALYTF-UONOGXRCSA-N 1 1 334.420 0.427 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)[C@@H]2C1 ZINC001076438601 756515252 /nfs/dbraw/zinc/51/52/52/756515252.db2.gz IGLMFOWHQHWJGT-LSDHHAIUSA-N 1 1 345.447 0.490 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001010812008 756554481 /nfs/dbraw/zinc/55/44/81/756554481.db2.gz AVODKNXDSYYBTM-KGLIPLIRSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001010812008 756554487 /nfs/dbraw/zinc/55/44/87/756554487.db2.gz AVODKNXDSYYBTM-KGLIPLIRSA-N 1 1 329.404 0.376 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)C1 ZINC001010838721 756586674 /nfs/dbraw/zinc/58/66/74/756586674.db2.gz VRSDEBDJCRWWJW-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)C1 ZINC001010838721 756586679 /nfs/dbraw/zinc/58/66/79/756586679.db2.gz VRSDEBDJCRWWJW-GJZGRUSLSA-N 1 1 348.447 0.318 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3ccnn3C)C2)nn1 ZINC001098663552 756601110 /nfs/dbraw/zinc/60/11/10/756601110.db2.gz GCVBSBDUELIMOC-HNNXBMFYSA-N 1 1 329.408 0.303 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001010878711 756636004 /nfs/dbraw/zinc/63/60/04/756636004.db2.gz QVUVRXDOXLEOFL-CYBMUJFWSA-N 1 1 343.855 0.767 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001010878711 756636008 /nfs/dbraw/zinc/63/60/08/756636008.db2.gz QVUVRXDOXLEOFL-CYBMUJFWSA-N 1 1 343.855 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001010900310 756653802 /nfs/dbraw/zinc/65/38/02/756653802.db2.gz FHHGRUOUXCBBMX-HNNXBMFYSA-N 1 1 342.399 0.169 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001010900310 756653804 /nfs/dbraw/zinc/65/38/04/756653804.db2.gz FHHGRUOUXCBBMX-HNNXBMFYSA-N 1 1 342.399 0.169 20 30 ECEDMO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001076588132 756692766 /nfs/dbraw/zinc/69/27/66/756692766.db2.gz LREMGRIBRACZJY-JKSUJKDBSA-N 1 1 349.475 0.769 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076590148 756698336 /nfs/dbraw/zinc/69/83/36/756698336.db2.gz YYIJECSTZOJERD-JYJNAYRXSA-N 1 1 334.464 0.047 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nc(C4CC4)nn3C)[C@@H]2C1 ZINC001076593288 756702542 /nfs/dbraw/zinc/70/25/42/756702542.db2.gz LEOWYWAPTUXRTD-LSDHHAIUSA-N 1 1 327.432 0.791 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001010961235 756707087 /nfs/dbraw/zinc/70/70/87/756707087.db2.gz GBWWYEDULUFODQ-IHETXDGRSA-N 1 1 348.447 0.174 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001010961235 756707089 /nfs/dbraw/zinc/70/70/89/756707089.db2.gz GBWWYEDULUFODQ-IHETXDGRSA-N 1 1 348.447 0.174 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cc(C)n[nH]2)CC1 ZINC001010974409 756717284 /nfs/dbraw/zinc/71/72/84/756717284.db2.gz DPQGOMFNZCQRNK-INIZCTEOSA-N 1 1 343.431 0.029 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cc(C)n[nH]2)CC1 ZINC001010974409 756717288 /nfs/dbraw/zinc/71/72/88/756717288.db2.gz DPQGOMFNZCQRNK-INIZCTEOSA-N 1 1 343.431 0.029 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)cc3)[C@@H]2C1 ZINC001076621281 756734077 /nfs/dbraw/zinc/73/40/77/756734077.db2.gz ABBBGYDWEGCSCI-DLBZAZTESA-N 1 1 325.412 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccoc2)CC1 ZINC001011039981 756816742 /nfs/dbraw/zinc/81/67/42/756816742.db2.gz NOSPJSCYIIKJTL-INIZCTEOSA-N 1 1 329.400 0.591 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccoc2)CC1 ZINC001011039981 756816747 /nfs/dbraw/zinc/81/67/47/756816747.db2.gz NOSPJSCYIIKJTL-INIZCTEOSA-N 1 1 329.400 0.591 20 30 ECEDMO CC(C)(F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076676040 756820490 /nfs/dbraw/zinc/82/04/90/756820490.db2.gz DCYDSYUQQPDZIL-HUUCEWRRSA-N 1 1 335.379 0.998 20 30 ECEDMO CC(C)(F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076676040 756820499 /nfs/dbraw/zinc/82/04/99/756820499.db2.gz DCYDSYUQQPDZIL-HUUCEWRRSA-N 1 1 335.379 0.998 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990927492 756886274 /nfs/dbraw/zinc/88/62/74/756886274.db2.gz LCTRLMFZBGXCDQ-MRXNPFEDSA-N 1 1 343.431 0.947 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990933537 756906546 /nfs/dbraw/zinc/90/65/46/756906546.db2.gz ZGSINISDGBXXTP-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC(=O)N(CCOC)C3)CCC[C@H]12 ZINC000990934727 756907758 /nfs/dbraw/zinc/90/77/58/756907758.db2.gz KBYLQKPFTGCSIV-RLFYNMQTSA-N 1 1 335.448 0.781 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)c[nH]1 ZINC000990935789 756914777 /nfs/dbraw/zinc/91/47/77/756914777.db2.gz PIBNREBPAUKLQE-CZUORRHYSA-N 1 1 341.415 0.701 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C(=O)C#CC3CC3)CC1)CC2 ZINC001011109467 756939332 /nfs/dbraw/zinc/93/93/32/756939332.db2.gz HBFHFFUWHFXSPT-INIZCTEOSA-N 1 1 340.427 0.838 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)C1 ZINC000996104508 756941330 /nfs/dbraw/zinc/94/13/30/756941330.db2.gz QQADWICMAIHUJJ-OYNZBZHQSA-N 1 1 341.415 0.700 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cn3cc(C)cn3)nn2)C1 ZINC001107140824 756963296 /nfs/dbraw/zinc/96/32/96/756963296.db2.gz WWDLQTCKBQJTSH-UHFFFAOYSA-N 1 1 329.408 0.532 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)c[nH]1 ZINC001048778614 756964696 /nfs/dbraw/zinc/96/46/96/756964696.db2.gz FKJFXEWTUMPQQJ-GUTXKFCHSA-N 1 1 327.388 0.169 20 30 ECEDMO Cc1nonc1C[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048779470 756967989 /nfs/dbraw/zinc/96/79/89/756967989.db2.gz WJYQWKDYSZOYHT-BETUJISGSA-N 1 1 326.360 0.782 20 30 ECEDMO Cc1nonc1C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048779470 756967996 /nfs/dbraw/zinc/96/79/96/756967996.db2.gz WJYQWKDYSZOYHT-BETUJISGSA-N 1 1 326.360 0.782 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3[nH]nnc3C)CC2(C)C)C1=O ZINC000996117990 756984339 /nfs/dbraw/zinc/98/43/39/756984339.db2.gz HPFPAHRFIIBZPU-CHWSQXEVSA-N 1 1 346.435 0.340 20 30 ECEDMO Cn1cnc(C(=O)N2C[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]3C2)n1 ZINC001048803835 757047149 /nfs/dbraw/zinc/04/71/49/757047149.db2.gz NEKZSYBTQLCAFB-CALCHBBNSA-N 1 1 335.411 0.871 20 30 ECEDMO Cn1ccc(C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)cc1=O ZINC001048810989 757070674 /nfs/dbraw/zinc/07/06/74/757070674.db2.gz WSDIVLNVEORLSC-CALCHBBNSA-N 1 1 325.412 0.689 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@H]2C1 ZINC001048818585 757098366 /nfs/dbraw/zinc/09/83/66/757098366.db2.gz LDAWFTFONYFBSM-KFWWJZLASA-N 1 1 341.415 0.176 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001048826541 757121864 /nfs/dbraw/zinc/12/18/64/757121864.db2.gz GDJAFNQJIYTJTM-SIRPWMCASA-N 1 1 349.475 0.835 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048826872 757122518 /nfs/dbraw/zinc/12/25/18/757122518.db2.gz MEVXTVNLPFNSCM-LEOABGAYSA-N 1 1 333.432 0.246 20 30 ECEDMO C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001048874131 757252085 /nfs/dbraw/zinc/25/20/85/757252085.db2.gz SQOCDAJEDDMMCF-JYJNAYRXSA-N 1 1 347.459 0.162 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccns1 ZINC001076811690 757254304 /nfs/dbraw/zinc/25/43/04/757254304.db2.gz JGMNLLPXMAHIRK-STQMWFEESA-N 1 1 334.445 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccns1 ZINC001076811690 757254312 /nfs/dbraw/zinc/25/43/12/757254312.db2.gz JGMNLLPXMAHIRK-STQMWFEESA-N 1 1 334.445 0.865 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001048877721 757265237 /nfs/dbraw/zinc/26/52/37/757265237.db2.gz ZSPNAMPRABIIGU-PMPSAXMXSA-N 1 1 348.447 0.824 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)NC(=O)CC)nn2)C1 ZINC001107174638 757287812 /nfs/dbraw/zinc/28/78/12/757287812.db2.gz VQFKHCUATYLJCO-GFCCVEGCSA-N 1 1 334.424 0.242 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3nc(CC)c[nH]3)nn2)C1 ZINC001107180421 757301271 /nfs/dbraw/zinc/30/12/71/757301271.db2.gz QXTGHGSBBNHKRS-UHFFFAOYSA-N 1 1 343.435 0.855 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 ZINC001107180541 757301530 /nfs/dbraw/zinc/30/15/30/757301530.db2.gz YAUYBOYUOJVEBO-AWEZNQCLSA-N 1 1 331.424 0.149 20 30 ECEDMO C#CCC1(C(=O)NCc2cn(C3C[NH+](C(C)C)C3)nn2)CCOCC1 ZINC001107178473 757335079 /nfs/dbraw/zinc/33/50/79/757335079.db2.gz ZLXBDFOPBUDRIH-UHFFFAOYSA-N 1 1 345.447 0.980 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001051638731 762542021 /nfs/dbraw/zinc/54/20/21/762542021.db2.gz SKUYVMAFNZVKPL-CYBMUJFWSA-N 1 1 341.843 0.911 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2c2nccnc2C#N)C1 ZINC001060144895 757363521 /nfs/dbraw/zinc/36/35/21/757363521.db2.gz JVNJILWNJKDEAA-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2c2nccnc2C#N)C1 ZINC001060144898 757364599 /nfs/dbraw/zinc/36/45/99/757364599.db2.gz JVNJILWNJKDEAA-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c1 ZINC001076855597 757398486 /nfs/dbraw/zinc/39/84/86/757398486.db2.gz DLYBXYRPOOEALV-IAGOWNOFSA-N 1 1 335.367 0.733 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c1 ZINC001076855597 757398492 /nfs/dbraw/zinc/39/84/92/757398492.db2.gz DLYBXYRPOOEALV-IAGOWNOFSA-N 1 1 335.367 0.733 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@H]2C1 ZINC001048926836 757432303 /nfs/dbraw/zinc/43/23/03/757432303.db2.gz PNEPGISGNLJBCO-IYBDPMFKSA-N 1 1 341.411 0.578 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)nn1 ZINC000996388674 757517874 /nfs/dbraw/zinc/51/78/74/757517874.db2.gz KPZWMOBJIGZHLD-AWEZNQCLSA-N 1 1 341.419 0.895 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nncn3C)C(C)(C)C2)nn1 ZINC000996390366 757522483 /nfs/dbraw/zinc/52/24/83/757522483.db2.gz SWCODLRXWWXVSF-ZDUSSCGKSA-N 1 1 344.423 0.233 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@H]2C1 ZINC001048960959 757524365 /nfs/dbraw/zinc/52/43/65/757524365.db2.gz RSPLDNUBFJWMRU-VVLHAWIVSA-N 1 1 335.448 0.589 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@H]2C1 ZINC001048961003 757524382 /nfs/dbraw/zinc/52/43/82/757524382.db2.gz SMDXHMFWVVRYDH-KSZLIROESA-N 1 1 331.460 0.511 20 30 ECEDMO CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)C1CCCC1 ZINC001076907158 757563233 /nfs/dbraw/zinc/56/32/33/757563233.db2.gz CUXVEIVKGWGPJB-ZACQAIPSSA-N 1 1 346.431 0.866 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2O)c[nH]1 ZINC001076907140 757563458 /nfs/dbraw/zinc/56/34/58/757563458.db2.gz CEWKGOAXPQZKNR-IAGOWNOFSA-N 1 1 346.431 0.868 20 30 ECEDMO Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907504 757564522 /nfs/dbraw/zinc/56/45/22/757564522.db2.gz RKEMSEBOFVPBIK-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907504 757564532 /nfs/dbraw/zinc/56/45/32/757564532.db2.gz RKEMSEBOFVPBIK-HZPDHXFCSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001105900579 762560512 /nfs/dbraw/zinc/56/05/12/762560512.db2.gz PJBOHQYWWDEPHI-HNNXBMFYSA-N 1 1 342.403 0.828 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]21 ZINC001021581263 757635331 /nfs/dbraw/zinc/63/53/31/757635331.db2.gz OFEBKFCEVYLPSR-SJORKVTESA-N 1 1 344.459 0.738 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]21 ZINC001021581262 757635428 /nfs/dbraw/zinc/63/54/28/757635428.db2.gz OFEBKFCEVYLPSR-IRXDYDNUSA-N 1 1 344.459 0.738 20 30 ECEDMO O=C(C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1)NC1CC1 ZINC001021581139 757636041 /nfs/dbraw/zinc/63/60/41/757636041.db2.gz MAKFBCZWYVUKGD-WBVHZDCISA-N 1 1 329.444 0.991 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(CCOC)nn2)C1 ZINC001021585325 757643280 /nfs/dbraw/zinc/64/32/80/757643280.db2.gz RDNPWTNPTMKCQL-NVXWUHKLSA-N 1 1 345.447 0.874 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001021593840 757658234 /nfs/dbraw/zinc/65/82/34/757658234.db2.gz XUVGZRSEXPCURN-KGLIPLIRSA-N 1 1 346.435 0.266 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001049003929 757664944 /nfs/dbraw/zinc/66/49/44/757664944.db2.gz WJWSXYPGOOGVPY-IRXDYDNUSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)C3CCN(CC(F)F)CC3)C[C@H]2C1 ZINC001049007574 757677072 /nfs/dbraw/zinc/67/70/72/757677072.db2.gz YPPRWOKYMOPXJU-GASCZTMLSA-N 1 1 325.403 0.987 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(=O)n(C)cn2)C1 ZINC001021608475 757680844 /nfs/dbraw/zinc/68/08/44/757680844.db2.gz QIBQCEJAPDZOOD-ZBFHGGJFSA-N 1 1 328.416 0.730 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021613593 757686025 /nfs/dbraw/zinc/68/60/25/757686025.db2.gz AHSIUMZSTBTEQW-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001021617493 757690499 /nfs/dbraw/zinc/69/04/99/757690499.db2.gz VJWMYXMPQOXQPC-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001021623157 757701657 /nfs/dbraw/zinc/70/16/57/757701657.db2.gz NKTTYOVRIOWKMH-GJZGRUSLSA-N 1 1 346.431 0.838 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCCNC2=O)C1 ZINC001021623749 757703400 /nfs/dbraw/zinc/70/34/00/757703400.db2.gz LFZNTQNTYRZEKC-JKSUJKDBSA-N 1 1 332.448 0.738 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)/C(C)=C/CC)C[C@@H]1O ZINC001049019853 757713484 /nfs/dbraw/zinc/71/34/84/757713484.db2.gz VJCJCPBAGZFNOW-NTTBBCTRSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)/C(C)=C/CC)C[C@@H]1O ZINC001049019853 757713490 /nfs/dbraw/zinc/71/34/90/757713490.db2.gz VJCJCPBAGZFNOW-NTTBBCTRSA-N 1 1 347.459 0.470 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 ZINC001021652374 757741512 /nfs/dbraw/zinc/74/15/12/757741512.db2.gz JMHHRTHSFMKXHE-DLBZAZTESA-N 1 1 348.491 0.697 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)C[C@@H]3C2)C1 ZINC001049042650 757767369 /nfs/dbraw/zinc/76/73/69/757767369.db2.gz FHXTUINMEQVVSQ-GASCZTMLSA-N 1 1 332.448 0.758 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021690878 757787228 /nfs/dbraw/zinc/78/72/28/757787228.db2.gz LBANWCFABTWLRJ-DZGCQCFKSA-N 1 1 333.432 0.928 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021691106 757788904 /nfs/dbraw/zinc/78/89/04/757788904.db2.gz NFWHYHRVBUGWQN-UKRRQHHQSA-N 1 1 331.416 0.375 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OCCOC)nn2)C1 ZINC001107217338 757820455 /nfs/dbraw/zinc/82/04/55/757820455.db2.gz HDSQIEPZHBPKJD-CYBMUJFWSA-N 1 1 337.424 0.379 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2nc(C)ccc2=O)C1 ZINC001021716378 757854445 /nfs/dbraw/zinc/85/44/45/757854445.db2.gz DGMKLKVEABPQTM-DLBZAZTESA-N 1 1 342.443 0.888 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001021725351 757866524 /nfs/dbraw/zinc/86/65/24/757866524.db2.gz RRFMNNDMTHGRCR-JKSUJKDBSA-N 1 1 345.447 0.226 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CCC2=O)C1 ZINC001021729832 757872775 /nfs/dbraw/zinc/87/27/75/757872775.db2.gz HVORJNFRDATEKZ-CABCVRRESA-N 1 1 331.416 0.472 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001021734351 757879771 /nfs/dbraw/zinc/87/97/71/757879771.db2.gz WPVVMYDNGRJUCO-HIFRSBDPSA-N 1 1 344.415 0.436 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001077000980 757883837 /nfs/dbraw/zinc/88/38/37/757883837.db2.gz ZNCCVNYVPDIOBJ-MRVWCRGKSA-N 1 1 335.429 0.793 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001077000980 757883844 /nfs/dbraw/zinc/88/38/44/757883844.db2.gz ZNCCVNYVPDIOBJ-MRVWCRGKSA-N 1 1 335.429 0.793 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CC45CC5)C[C@H]3C2)C1=O ZINC001049081129 757907670 /nfs/dbraw/zinc/90/76/70/757907670.db2.gz HXGJJMLGQHCXRO-QKPAOTATSA-N 1 1 329.444 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CC45CC5)C[C@H]3C2)C1=O ZINC001049081130 757907766 /nfs/dbraw/zinc/90/77/66/757907766.db2.gz HXGJJMLGQHCXRO-QXSJWSMHSA-N 1 1 329.444 0.964 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001077004238 757907932 /nfs/dbraw/zinc/90/79/32/757907932.db2.gz UWHGPFFXNJEGEJ-NVXWUHKLSA-N 1 1 328.416 0.853 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001021815357 757944925 /nfs/dbraw/zinc/94/49/25/757944925.db2.gz PZQIJGAWJNYONU-XHSDSOJGSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001021815357 757944932 /nfs/dbraw/zinc/94/49/32/757944932.db2.gz PZQIJGAWJNYONU-XHSDSOJGSA-N 1 1 349.475 0.979 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)C1 ZINC000996538731 757960902 /nfs/dbraw/zinc/96/09/02/757960902.db2.gz NYNCVFVYTQMHQA-OYNZBZHQSA-N 1 1 341.415 0.700 20 30 ECEDMO C#CCOc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC)C[C@@H]3C2)cc1 ZINC001049102840 757964923 /nfs/dbraw/zinc/96/49/23/757964923.db2.gz XDYXPEATEGAXMW-IYBDPMFKSA-N 1 1 341.411 0.448 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]2C1 ZINC001049104472 757967494 /nfs/dbraw/zinc/96/74/94/757967494.db2.gz OEUFWZVOEWCGLA-KSWRQPAISA-N 1 1 349.475 0.882 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(-n4ccnc4)nn3)C[C@H]2C1 ZINC001049112696 757995225 /nfs/dbraw/zinc/99/52/25/757995225.db2.gz XXPZOLUFJLESQD-GASCZTMLSA-N 1 1 336.399 0.689 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNc2ccnc(C#N)n2)CC[N@H+]1C ZINC001060317957 762591774 /nfs/dbraw/zinc/59/17/74/762591774.db2.gz SCCIANSRLQUTLC-QLFBSQMISA-N 1 1 342.447 0.903 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)COC[C@H]3CCCO3)nn2)C1 ZINC001107242773 758000751 /nfs/dbraw/zinc/00/07/51/758000751.db2.gz XYSGTNDGEOBICD-MRXNPFEDSA-N 1 1 349.435 0.523 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@]4(C)CCOC4)C[C@H]3C2)C1=O ZINC001049133502 758080101 /nfs/dbraw/zinc/08/01/01/758080101.db2.gz KHELXKCXCUOZPE-OLMMMNRUSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049140796 758108438 /nfs/dbraw/zinc/10/84/38/758108438.db2.gz SKBMQBVDKSDSMT-OAGGEKHMSA-N 1 1 345.447 0.895 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCO3)CCC[C@@H]12 ZINC001107266721 758110367 /nfs/dbraw/zinc/11/03/67/758110367.db2.gz LNLNMHHAMHNRSY-CKEIUWERSA-N 1 1 334.420 0.166 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(CC)c(CC)n[nH]c2=O)C1 ZINC001077081596 758135437 /nfs/dbraw/zinc/13/54/37/758135437.db2.gz CWEWPZXEYVBPIO-ZIAGYGMSSA-N 1 1 334.420 0.658 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cccn3)CCC[C@@H]12 ZINC001107281455 758155540 /nfs/dbraw/zinc/15/55/40/758155540.db2.gz CRBICZFCKNKDDQ-CRAIPNDOSA-N 1 1 345.447 0.546 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001077098228 758160702 /nfs/dbraw/zinc/16/07/02/758160702.db2.gz VLRPUGOJBKPUHZ-RCCFBDPRSA-N 1 1 328.412 0.910 20 30 ECEDMO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001049162880 758183716 /nfs/dbraw/zinc/18/37/16/758183716.db2.gz HITIGKRXZMGYSM-CALCHBBNSA-N 1 1 335.411 0.789 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC000996601614 758185989 /nfs/dbraw/zinc/18/59/89/758185989.db2.gz UDAHIYMGCMMKBE-KGLIPLIRSA-N 1 1 334.424 0.272 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001212127290 758205191 /nfs/dbraw/zinc/20/51/91/758205191.db2.gz IOOSOHWTAKEQDR-CHWSQXEVSA-N 1 1 342.346 0.597 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001212127290 758205199 /nfs/dbraw/zinc/20/51/99/758205199.db2.gz IOOSOHWTAKEQDR-CHWSQXEVSA-N 1 1 342.346 0.597 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011647709 758206629 /nfs/dbraw/zinc/20/66/29/758206629.db2.gz JOLGBNUDRPTTPE-XHSDSOJGSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001077108140 758210480 /nfs/dbraw/zinc/21/04/80/758210480.db2.gz OODOLEBTLQMBCQ-HUUCEWRRSA-N 1 1 327.388 0.823 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]3C2)cn1 ZINC001049178471 758235297 /nfs/dbraw/zinc/23/52/97/758235297.db2.gz GOCZQMAJPHXVIX-YUELXQCFSA-N 1 1 326.400 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]3C2)cn1 ZINC001049178470 758236094 /nfs/dbraw/zinc/23/60/94/758236094.db2.gz GOCZQMAJPHXVIX-AEGPPILISA-N 1 1 326.400 0.201 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001077124151 758245568 /nfs/dbraw/zinc/24/55/68/758245568.db2.gz NKDPZTHZLLWOQE-BBRMVZONSA-N 1 1 341.415 0.609 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001077124151 758245575 /nfs/dbraw/zinc/24/55/75/758245575.db2.gz NKDPZTHZLLWOQE-BBRMVZONSA-N 1 1 341.415 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nccc(C)n1 ZINC001077123961 758251427 /nfs/dbraw/zinc/25/14/27/758251427.db2.gz HEJKYMFLSXLZSS-GJZGRUSLSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nccc(C)n1 ZINC001077123961 758251437 /nfs/dbraw/zinc/25/14/37/758251437.db2.gz HEJKYMFLSXLZSS-GJZGRUSLSA-N 1 1 343.431 0.507 20 30 ECEDMO CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107320077 758261653 /nfs/dbraw/zinc/26/16/53/758261653.db2.gz XBSOZGYBPHTBIQ-RHSMWYFYSA-N 1 1 336.436 0.414 20 30 ECEDMO C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128731 758267828 /nfs/dbraw/zinc/26/78/28/758267828.db2.gz CCSAEYXCERICQT-BRWVUGGUSA-N 1 1 337.464 0.367 20 30 ECEDMO C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128731 758267835 /nfs/dbraw/zinc/26/78/35/758267835.db2.gz CCSAEYXCERICQT-BRWVUGGUSA-N 1 1 337.464 0.367 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001077125044 758288145 /nfs/dbraw/zinc/28/81/45/758288145.db2.gz KTQDEERPYDNZIZ-BBWFWOEESA-N 1 1 348.491 0.437 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(C)CCOCC1 ZINC001077125313 758291386 /nfs/dbraw/zinc/29/13/86/758291386.db2.gz RMFHWVPARLWBOW-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(C)CCOCC1 ZINC001077125313 758291399 /nfs/dbraw/zinc/29/13/99/758291399.db2.gz RMFHWVPARLWBOW-HOTGVXAUSA-N 1 1 349.475 0.912 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@H]2C1 ZINC001049223104 758372961 /nfs/dbraw/zinc/37/29/61/758372961.db2.gz HAUQFYGIYIVHCP-IXDOHACOSA-N 1 1 335.448 0.590 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)CCC=C)C[C@H](C)O2 ZINC001111539075 758383406 /nfs/dbraw/zinc/38/34/06/758383406.db2.gz WGTPHACTDQTXQE-INIZCTEOSA-N 1 1 347.459 0.784 20 30 ECEDMO CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)C#N)C[C@H](C)O2 ZINC001111539146 758390371 /nfs/dbraw/zinc/39/03/71/758390371.db2.gz WZBOXQDPNSNUAI-KGLIPLIRSA-N 1 1 336.436 0.364 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001077164685 758395384 /nfs/dbraw/zinc/39/53/84/758395384.db2.gz WQCIHQVCKWARII-QBPKDAKJSA-N 1 1 332.400 0.490 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001077164685 758395397 /nfs/dbraw/zinc/39/53/97/758395397.db2.gz WQCIHQVCKWARII-QBPKDAKJSA-N 1 1 332.400 0.490 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@](C)(O)C=C)CCC[C@@H]12 ZINC001107377598 758406114 /nfs/dbraw/zinc/40/61/14/758406114.db2.gz UZPPHMSEZZQLNR-AYOQOUSVSA-N 1 1 349.475 0.977 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001049267804 758458535 /nfs/dbraw/zinc/45/85/35/758458535.db2.gz DUAWPFKLFPBCHJ-JYJNAYRXSA-N 1 1 339.480 0.961 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC001011769953 758531329 /nfs/dbraw/zinc/53/13/29/758531329.db2.gz AZPFANHQZQAOGH-BXUZGUMPSA-N 1 1 340.387 0.811 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001077226219 758561769 /nfs/dbraw/zinc/56/17/69/758561769.db2.gz FRWKQVAVRJSGMH-GDBMZVCRSA-N 1 1 331.416 0.866 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC001107439380 758567736 /nfs/dbraw/zinc/56/77/36/758567736.db2.gz YLFFSHYGARVTFO-CRAIPNDOSA-N 1 1 333.432 0.229 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CS(=O)(=O)CCOC)CCC[C@@H]12 ZINC001107454197 758612882 /nfs/dbraw/zinc/61/28/82/758612882.db2.gz YIPZZVWOYCKRJY-GDBMZVCRSA-N 1 1 344.477 0.594 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)CCN3C(=O)CCC3=O)CCC[C@@H]12 ZINC001107465293 758621402 /nfs/dbraw/zinc/62/14/02/758621402.db2.gz UOGQDGBBAZNWMH-RDTXWAMCSA-N 1 1 331.416 0.520 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)N2CCC2)c[nH]1 ZINC001049424630 758668445 /nfs/dbraw/zinc/66/84/45/758668445.db2.gz FWIXTJFPYBYEHN-CVEARBPZSA-N 1 1 341.415 0.798 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH]c(C#N)c1 ZINC001049425904 758669559 /nfs/dbraw/zinc/66/95/59/758669559.db2.gz QDHGCMOKVONANY-HZPDHXFCSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH]c(C#N)c1 ZINC001049425904 758669562 /nfs/dbraw/zinc/66/95/62/758669562.db2.gz QDHGCMOKVONANY-HZPDHXFCSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C#N)[nH]1 ZINC001049426468 758671205 /nfs/dbraw/zinc/67/12/05/758671205.db2.gz VXPKMUZKUFLDHW-JKSUJKDBSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C#N)[nH]1 ZINC001049426468 758671210 /nfs/dbraw/zinc/67/12/10/758671210.db2.gz VXPKMUZKUFLDHW-JKSUJKDBSA-N 1 1 339.403 0.894 20 30 ECEDMO CN1CCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1 ZINC000996766962 758772433 /nfs/dbraw/zinc/77/24/33/758772433.db2.gz RFSMFFJKVZHKEL-JCYILVPMSA-N 1 1 333.480 0.649 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1cc(C#N)nc(CC)n1 ZINC001105909737 762659627 /nfs/dbraw/zinc/65/96/27/762659627.db2.gz MNGLHZZGCJFHAO-ZDUSSCGKSA-N 1 1 334.424 0.141 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1nnn(C(C)(C)C)n1 ZINC001049498453 758806397 /nfs/dbraw/zinc/80/63/97/758806397.db2.gz KEHITCUOPWGHMO-KGLIPLIRSA-N 1 1 330.436 0.669 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](C)COC)nn2)C1 ZINC001098669206 758848281 /nfs/dbraw/zinc/84/82/81/758848281.db2.gz KAXTULAMHGUJAO-HOCLYGCPSA-N 1 1 333.436 0.980 20 30 ECEDMO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001049549575 758909639 /nfs/dbraw/zinc/90/96/39/758909639.db2.gz ZKGADTFPAAAWKU-GJZGRUSLSA-N 1 1 325.453 0.715 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCN1C(=O)CCC1=O ZINC001049578930 758955932 /nfs/dbraw/zinc/95/59/32/758955932.db2.gz CDIBWAHMYGWBPB-CABCVRRESA-N 1 1 331.416 0.614 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCCCS1(=O)=O ZINC001049594637 758973364 /nfs/dbraw/zinc/97/33/64/758973364.db2.gz LLQPMHOXMJQSPM-GJZGRUSLSA-N 1 1 341.477 0.663 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001077394691 758983676 /nfs/dbraw/zinc/98/36/76/758983676.db2.gz ZDUWAKGYALGCSA-WMLDXEAASA-N 1 1 341.452 0.047 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049610899 758990752 /nfs/dbraw/zinc/99/07/52/758990752.db2.gz GKKVJFWWKCOOGY-LSDHHAIUSA-N 1 1 331.420 0.061 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 ZINC001077399342 758997147 /nfs/dbraw/zinc/99/71/47/758997147.db2.gz DYQADYBSQJPKGQ-NVXWUHKLSA-N 1 1 332.448 0.889 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)N(C)C)c1 ZINC001049706175 759116423 /nfs/dbraw/zinc/11/64/23/759116423.db2.gz HNHOKOBQZFAOKG-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)N(C)C)c1 ZINC001049706175 759116424 /nfs/dbraw/zinc/11/64/24/759116424.db2.gz HNHOKOBQZFAOKG-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nnc2c1CCCC2 ZINC001049726302 759137431 /nfs/dbraw/zinc/13/74/31/759137431.db2.gz CWMMMSDBUDKPCR-IRXDYDNUSA-N 1 1 327.432 0.855 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)N1CCC1 ZINC001049740594 759153730 /nfs/dbraw/zinc/15/37/30/759153730.db2.gz LRMMECJGXVFBFY-NCOADZHNSA-N 1 1 347.459 0.875 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OC)ncn3)C2)C1=O ZINC001014438451 762687951 /nfs/dbraw/zinc/68/79/51/762687951.db2.gz IAGXWPQDKYYDAM-JSGCOSHPSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(OC)ncn3)C2)C1=O ZINC001014438451 762687954 /nfs/dbraw/zinc/68/79/54/762687954.db2.gz IAGXWPQDKYYDAM-JSGCOSHPSA-N 1 1 345.403 0.076 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCCO)nn1 ZINC001049778603 759193537 /nfs/dbraw/zinc/19/35/37/759193537.db2.gz WXTNBTCRYQZQEU-HOTGVXAUSA-N 1 1 333.436 0.916 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049789728 759213056 /nfs/dbraw/zinc/21/30/56/759213056.db2.gz FKBOCMYTLKHGOS-ZIAGYGMSSA-N 1 1 334.420 0.570 20 30 ECEDMO C=CCOCC(=O)N1CCC(OC2C[NH+](C[C@H](C)OC)C2)CC1 ZINC001105697324 759249213 /nfs/dbraw/zinc/24/92/13/759249213.db2.gz UDMTZMMXNAKFOQ-AWEZNQCLSA-N 1 1 326.437 0.916 20 30 ECEDMO N#Cc1ccccc1CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030346850 762698540 /nfs/dbraw/zinc/69/85/40/762698540.db2.gz GBJYMZCUANRGET-ZWKOTPCHSA-N 1 1 340.427 0.722 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2c(OC)cccc2OC)[C@@H](O)C1 ZINC001083609668 759283611 /nfs/dbraw/zinc/28/36/11/759283611.db2.gz HVSJHOFVOALJNE-CABCVRRESA-N 1 1 334.416 0.984 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001049850986 759302099 /nfs/dbraw/zinc/30/20/99/759302099.db2.gz VLHCWKWXATXKCE-UONOGXRCSA-N 1 1 340.387 0.120 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nccnc1C(N)=O ZINC001049885257 759348074 /nfs/dbraw/zinc/34/80/74/759348074.db2.gz NCJIYDIROMVLCC-STQMWFEESA-N 1 1 327.388 0.278 20 30 ECEDMO COCC#CCN1CC(OC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001105699024 759360838 /nfs/dbraw/zinc/36/08/38/759360838.db2.gz VGXLVLXYGPOTPM-GOSISDBHSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(-n2cnnn2)c1 ZINC001049893269 759366409 /nfs/dbraw/zinc/36/64/09/759366409.db2.gz OJYSCLIVLZGNKF-IRXDYDNUSA-N 1 1 336.399 0.974 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2c3ccccc3NC2=O)C1 ZINC001047645340 759395885 /nfs/dbraw/zinc/39/58/85/759395885.db2.gz MKMVGCXKDLCRCY-BPUTZDHNSA-N 1 1 329.400 0.802 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001047646924 759401113 /nfs/dbraw/zinc/40/11/13/759401113.db2.gz PYBMAARIAZZTSZ-GJZGRUSLSA-N 1 1 342.403 0.356 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 ZINC001049918463 759401237 /nfs/dbraw/zinc/40/12/37/759401237.db2.gz LDJHWOSKJFBZLS-UONOGXRCSA-N 1 1 332.408 0.018 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001047646836 759401554 /nfs/dbraw/zinc/40/15/54/759401554.db2.gz MEAFOHACJRZHRZ-GJZGRUSLSA-N 1 1 342.403 0.356 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(OC)ncnc1OC ZINC001049924070 759409945 /nfs/dbraw/zinc/40/99/45/759409945.db2.gz BSYWVMGLIQOVHQ-OLZOCXBDSA-N 1 1 330.388 0.806 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C(N)=O)nc1 ZINC001049926965 759412609 /nfs/dbraw/zinc/41/26/09/759412609.db2.gz GFRRVCAPBFXJDD-JKSUJKDBSA-N 1 1 326.400 0.883 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4cocn4)[C@@H]3C2)C1=O ZINC001050000723 759527605 /nfs/dbraw/zinc/52/76/05/759527605.db2.gz SQSRETXQSBPSTH-NUEKZKHPSA-N 1 1 344.415 0.998 20 30 ECEDMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047793193 759529197 /nfs/dbraw/zinc/52/91/97/759529197.db2.gz GUPWWACQCXCVMF-WDEREUQCSA-N 1 1 328.380 0.050 20 30 ECEDMO C=C(Br)CN1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001032201557 759573394 /nfs/dbraw/zinc/57/33/94/759573394.db2.gz HYTFONGNXNIDNT-ZDUSSCGKSA-N 1 1 346.269 0.664 20 30 ECEDMO C=C(Br)CN1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001032201557 759573400 /nfs/dbraw/zinc/57/34/00/759573400.db2.gz HYTFONGNXNIDNT-ZDUSSCGKSA-N 1 1 346.269 0.664 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC001050077345 759663495 /nfs/dbraw/zinc/66/34/95/759663495.db2.gz UOSPANOVJIAYLE-DOTOQJQBSA-N 1 1 340.427 0.669 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089646 759684342 /nfs/dbraw/zinc/68/43/42/759684342.db2.gz PSHCEOFZQJIPRZ-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089646 759684348 /nfs/dbraw/zinc/68/43/48/759684348.db2.gz PSHCEOFZQJIPRZ-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 ZINC001050101978 759703743 /nfs/dbraw/zinc/70/37/43/759703743.db2.gz FGHWKCUBCLFFBH-CWRNSKLLSA-N 1 1 341.415 0.312 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050104138 759711055 /nfs/dbraw/zinc/71/10/55/759711055.db2.gz PESHZIFVJGHOCD-TZMCWYRMSA-N 1 1 349.460 0.802 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCOc3c(F)cccc32)[C@@H](O)C1 ZINC001083628781 759713447 /nfs/dbraw/zinc/71/34/47/759713447.db2.gz NLYCDHFRNUILIA-IMJJTQAJSA-N 1 1 332.375 0.876 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCOc3c(F)cccc32)[C@@H](O)C1 ZINC001083628781 759713449 /nfs/dbraw/zinc/71/34/49/759713449.db2.gz NLYCDHFRNUILIA-IMJJTQAJSA-N 1 1 332.375 0.876 20 30 ECEDMO Cc1nc(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)ccc1C#N ZINC001125111377 759717123 /nfs/dbraw/zinc/71/71/23/759717123.db2.gz WFDSRVZLNPZNAC-CVEARBPZSA-N 1 1 345.447 0.469 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001012332849 759734832 /nfs/dbraw/zinc/73/48/32/759734832.db2.gz MSQVKMMRQXDIFA-ZDUSSCGKSA-N 1 1 345.403 0.714 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)c1 ZINC001050136103 759779551 /nfs/dbraw/zinc/77/95/51/759779551.db2.gz QZHSKCRSONVSEM-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)c1 ZINC001050136103 759779555 /nfs/dbraw/zinc/77/95/55/759779555.db2.gz QZHSKCRSONVSEM-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C(C)(C)C1 ZINC000995558547 759793797 /nfs/dbraw/zinc/79/37/97/759793797.db2.gz IVUHQFAAZIAVSO-RYUDHWBXSA-N 1 1 333.440 0.914 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001050143868 759794979 /nfs/dbraw/zinc/79/49/79/759794979.db2.gz IRMISBZQLGKBPT-SVGFKBNWSA-N 1 1 347.459 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001050143868 759794984 /nfs/dbraw/zinc/79/49/84/759794984.db2.gz IRMISBZQLGKBPT-SVGFKBNWSA-N 1 1 347.459 0.779 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 ZINC001050162995 759832740 /nfs/dbraw/zinc/83/27/40/759832740.db2.gz CDWYQICSQZOOPX-DWBBHFSCSA-N 1 1 346.431 0.474 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C(=O)c4nc[nH]n4)[C@@H]3C2)C1=O ZINC001050167544 759848020 /nfs/dbraw/zinc/84/80/20/759848020.db2.gz GHJCEOGPODHODF-MELADBBJSA-N 1 1 344.419 0.128 20 30 ECEDMO Cc1cc(C#N)nc(NC/C=C\CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001107093263 759907852 /nfs/dbraw/zinc/90/78/52/759907852.db2.gz COLIDDGRNBOWGG-NQHOJNORSA-N 1 1 330.392 0.072 20 30 ECEDMO Cc1cc(C#N)nc(NC/C=C\CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001107093263 759907858 /nfs/dbraw/zinc/90/78/58/759907858.db2.gz COLIDDGRNBOWGG-NQHOJNORSA-N 1 1 330.392 0.072 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 ZINC001050195187 759915510 /nfs/dbraw/zinc/91/55/10/759915510.db2.gz LDPVKCMVDJBEAX-QWHCGFSZSA-N 1 1 334.420 0.426 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C)c1nnnn1C ZINC000995650587 759936410 /nfs/dbraw/zinc/93/64/10/759936410.db2.gz MFFJYMSJEXOJHX-MFKMUULPSA-N 1 1 342.407 0.611 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050204991 759938820 /nfs/dbraw/zinc/93/88/20/759938820.db2.gz UZKBYJNDIKWELZ-RRFJBIMHSA-N 1 1 341.477 0.567 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CC34CCOCC4)C2)C1=O ZINC001032231423 759990388 /nfs/dbraw/zinc/99/03/88/759990388.db2.gz IKTMFASSFPIJNM-HOTGVXAUSA-N 1 1 347.459 0.638 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)[C@@H](O)C1 ZINC001083637790 759993371 /nfs/dbraw/zinc/99/33/71/759993371.db2.gz LUBZUCGOMPKDOZ-IMJJTQAJSA-N 1 1 332.375 0.561 20 30 ECEDMO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C)c1nnnn1C ZINC000995683654 760040588 /nfs/dbraw/zinc/04/05/88/760040588.db2.gz YJPFFBHLOUMJAS-GXFFZTMASA-N 1 1 342.407 0.611 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cccnc2)C1=O ZINC001032251408 760051388 /nfs/dbraw/zinc/05/13/88/760051388.db2.gz LQPMCIAVTPHNFW-HRCADAONSA-N 1 1 326.400 0.767 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cccnc2)C1=O ZINC001032251408 760051398 /nfs/dbraw/zinc/05/13/98/760051398.db2.gz LQPMCIAVTPHNFW-HRCADAONSA-N 1 1 326.400 0.767 20 30 ECEDMO CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001212141259 760203568 /nfs/dbraw/zinc/20/35/68/760203568.db2.gz KPAMQLREFIBTLJ-CHWSQXEVSA-N 1 1 342.346 0.597 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001212141259 760203572 /nfs/dbraw/zinc/20/35/72/760203572.db2.gz KPAMQLREFIBTLJ-CHWSQXEVSA-N 1 1 342.346 0.597 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000945400264 760223741 /nfs/dbraw/zinc/22/37/41/760223741.db2.gz ZNRDJENDZTUERR-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@@H]12 ZINC000991383455 760612689 /nfs/dbraw/zinc/61/26/89/760612689.db2.gz HZFPYDVBBWCQDJ-CRAIPNDOSA-N 1 1 326.400 0.469 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(CC)C2=O)C1 ZINC001030024742 760630054 /nfs/dbraw/zinc/63/00/54/760630054.db2.gz SQTXITKFGIFJTF-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCN(CC)C2=O)C1 ZINC001030024742 760630061 /nfs/dbraw/zinc/63/00/61/760630061.db2.gz SQTXITKFGIFJTF-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@H]2CCN(CC)C2=O)C1 ZINC001030024742 760630068 /nfs/dbraw/zinc/63/00/68/760630068.db2.gz SQTXITKFGIFJTF-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@H]2CCN(CC)C2=O)C1 ZINC001030024742 760630073 /nfs/dbraw/zinc/63/00/73/760630073.db2.gz SQTXITKFGIFJTF-IKGGRYGDSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cc3ccc(C(N)=O)nc3)CCC[C@H]12 ZINC000991388394 760644490 /nfs/dbraw/zinc/64/44/90/760644490.db2.gz QJQNUWKRILVFEH-QFBILLFUSA-N 1 1 340.427 0.860 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2(C)CC(F)(F)C2)C1 ZINC000995894404 760738015 /nfs/dbraw/zinc/73/80/15/760738015.db2.gz UEKONGJJNXSGNL-ZDUSSCGKSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2(C)CC(F)(F)C2)C1 ZINC000995894404 760738021 /nfs/dbraw/zinc/73/80/21/760738021.db2.gz UEKONGJJNXSGNL-ZDUSSCGKSA-N 1 1 339.386 0.846 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1c1ccnc(C#N)n1 ZINC001048613483 760791997 /nfs/dbraw/zinc/79/19/97/760791997.db2.gz SENFCOJUBKAYCC-MJBXVCDLSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1c1ccnc(C#N)n1 ZINC001048613483 760792004 /nfs/dbraw/zinc/79/20/04/760792004.db2.gz SENFCOJUBKAYCC-MJBXVCDLSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C4CCOCC4)C[C@H]3C2)C1=O ZINC001048642181 760841756 /nfs/dbraw/zinc/84/17/56/760841756.db2.gz OVGKMBPXPWLZOI-IXDOHACOSA-N 1 1 347.459 0.590 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2nccs2)[C@@H](O)C1 ZINC001083668852 760853339 /nfs/dbraw/zinc/85/33/39/760853339.db2.gz IZLDZMZKGXMADL-RDBSUJKOSA-N 1 1 334.445 0.297 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2nccs2)[C@@H](O)C1 ZINC001083668852 760853350 /nfs/dbraw/zinc/85/33/50/760853350.db2.gz IZLDZMZKGXMADL-RDBSUJKOSA-N 1 1 334.445 0.297 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2c2nccs2)[C@@H](O)C1 ZINC001083669839 760883847 /nfs/dbraw/zinc/88/38/47/760883847.db2.gz XPJOYRODDRVNJA-RDBSUJKOSA-N 1 1 334.445 0.297 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COc3cc(C)c(C)cc32)[C@@H](O)C1 ZINC001083670445 760903034 /nfs/dbraw/zinc/90/30/34/760903034.db2.gz AOYJUIBUCXQWKK-ZACQAIPSSA-N 1 1 328.412 0.964 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COc3cc(C)c(C)cc32)[C@@H](O)C1 ZINC001083670445 760903038 /nfs/dbraw/zinc/90/30/38/760903038.db2.gz AOYJUIBUCXQWKK-ZACQAIPSSA-N 1 1 328.412 0.964 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 ZINC001048691169 760944412 /nfs/dbraw/zinc/94/44/12/760944412.db2.gz ZOAUQZSAJHFPMD-KSZLIROESA-N 1 1 341.411 0.864 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H]2CCCOC2)c1 ZINC001050864299 761032402 /nfs/dbraw/zinc/03/24/02/761032402.db2.gz ALQGMERZLJXKOW-HIFRSBDPSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@H+]2C[C@H]2CCCOC2)c1 ZINC001050864299 761032412 /nfs/dbraw/zinc/03/24/12/761032412.db2.gz ALQGMERZLJXKOW-HIFRSBDPSA-N 1 1 332.404 0.744 20 30 ECEDMO Cc1cc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)on1 ZINC001048725029 761047622 /nfs/dbraw/zinc/04/76/22/761047622.db2.gz MXQWSNPTIMFPRO-ZRJCITRHSA-N 1 1 345.403 0.860 20 30 ECEDMO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)on1 ZINC001048725029 761047630 /nfs/dbraw/zinc/04/76/30/761047630.db2.gz MXQWSNPTIMFPRO-ZRJCITRHSA-N 1 1 345.403 0.860 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000991481721 761151264 /nfs/dbraw/zinc/15/12/64/761151264.db2.gz YIMHZEKDGPQRBU-OAHLLOKOSA-N 1 1 329.404 0.700 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001030031489 761201687 /nfs/dbraw/zinc/20/16/87/761201687.db2.gz RTRKAYUQQFFAPO-YESZJQIVSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001030031489 761201690 /nfs/dbraw/zinc/20/16/90/761201690.db2.gz RTRKAYUQQFFAPO-YESZJQIVSA-N 1 1 346.475 0.285 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CN(C)C(=O)C(C)C)CC2)C1 ZINC001105713674 761237919 /nfs/dbraw/zinc/23/79/19/761237919.db2.gz PBZNYJWDJWXSSI-UHFFFAOYSA-N 1 1 349.475 0.816 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001030032203 761268011 /nfs/dbraw/zinc/26/80/11/761268011.db2.gz FLCCMWMHGCYTPQ-ARFHVFGLSA-N 1 1 334.464 0.448 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001030033321 761276250 /nfs/dbraw/zinc/27/62/50/761276250.db2.gz XEZBAULDNUGEOP-ULQDDVLXSA-N 1 1 348.491 0.838 20 30 ECEDMO C=C(C)CCN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051030402 761367002 /nfs/dbraw/zinc/36/70/02/761367002.db2.gz YZUGOKARPUUNAE-ISXWCOSWSA-N 1 1 349.475 0.633 20 30 ECEDMO CCn1cc(C[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)nn1 ZINC001054533684 768033275 /nfs/dbraw/zinc/03/32/75/768033275.db2.gz SFKNLHBWYWLLEH-ABAIWWIYSA-N 1 1 327.392 0.748 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)COCCCOC)CC2)C1 ZINC001105731962 761389755 /nfs/dbraw/zinc/38/97/55/761389755.db2.gz YVQKOHWKTHMVBB-UHFFFAOYSA-N 1 1 338.448 0.755 20 30 ECEDMO C=C(C)CCN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082289 761456570 /nfs/dbraw/zinc/45/65/70/761456570.db2.gz XZKXEEAQXMOTJH-IRXDYDNUSA-N 1 1 339.480 0.879 20 30 ECEDMO C#CCN1CCOC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001051111848 761510707 /nfs/dbraw/zinc/51/07/07/761510707.db2.gz ZLSCJTQZZHLJSZ-CQSZACIVSA-N 1 1 332.404 0.334 20 30 ECEDMO C[N@H+]1C[C@H](C(=O)NC[C@H]2COCCN2CC#N)[C@@H](c2ccccc2)C1 ZINC001051126411 761527557 /nfs/dbraw/zinc/52/75/57/761527557.db2.gz GFBKIQGAWRIFIK-KSZLIROESA-N 1 1 342.443 0.672 20 30 ECEDMO CC#CCN1CCOC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001051180430 761628835 /nfs/dbraw/zinc/62/88/35/761628835.db2.gz HILRFNJXOYCPHN-KRWDZBQOSA-N 1 1 339.399 0.721 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001051205963 761685859 /nfs/dbraw/zinc/68/58/59/761685859.db2.gz NMWOHDFXVYGBIA-GJZGRUSLSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)cccc2C1 ZINC001051298810 761848514 /nfs/dbraw/zinc/84/85/14/761848514.db2.gz KNSIPMIFDDCODG-DLBZAZTESA-N 1 1 343.427 0.880 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc4n(n3)CCC4)C2)C1=O ZINC001014645308 762956900 /nfs/dbraw/zinc/95/69/00/762956900.db2.gz NLKMLLDTQRZGLE-XJKSGUPXSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc4n(n3)CCC4)C2)C1=O ZINC001014645308 762956902 /nfs/dbraw/zinc/95/69/02/762956902.db2.gz NLKMLLDTQRZGLE-XJKSGUPXSA-N 1 1 343.431 0.420 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)C(F)F)CC1 ZINC001017539394 768095702 /nfs/dbraw/zinc/09/57/02/768095702.db2.gz WWYSHXWTUMUNOA-ZDUSSCGKSA-N 1 1 325.359 0.624 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)C(F)F)CC1 ZINC001017539394 768095710 /nfs/dbraw/zinc/09/57/10/768095710.db2.gz WWYSHXWTUMUNOA-ZDUSSCGKSA-N 1 1 325.359 0.624 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)nnn3CC)C2)C1=O ZINC001014692938 763002488 /nfs/dbraw/zinc/00/24/88/763002488.db2.gz CWJVCOUKRDSHSU-KBPBESRZSA-N 1 1 346.435 0.197 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)nnn3CC)C2)C1=O ZINC001014692938 763002491 /nfs/dbraw/zinc/00/24/91/763002491.db2.gz CWJVCOUKRDSHSU-KBPBESRZSA-N 1 1 346.435 0.197 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017550285 768107158 /nfs/dbraw/zinc/10/71/58/768107158.db2.gz WNGAAPDHPKFVRR-SOUVJXGZSA-N 1 1 341.415 0.461 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001046783332 763120605 /nfs/dbraw/zinc/12/06/05/763120605.db2.gz NDFWQIQUWINWSM-SFHVURJKSA-N 1 1 326.400 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)cn1 ZINC001046783332 763120611 /nfs/dbraw/zinc/12/06/11/763120611.db2.gz NDFWQIQUWINWSM-SFHVURJKSA-N 1 1 326.400 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)NC2CCCC2)C1 ZINC001014774172 763133627 /nfs/dbraw/zinc/13/36/27/763133627.db2.gz CECXBYXNDRMVIG-SJORKVTESA-N 1 1 346.475 0.333 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)NC2CCCC2)C1 ZINC001014774172 763133635 /nfs/dbraw/zinc/13/36/35/763133635.db2.gz CECXBYXNDRMVIG-SJORKVTESA-N 1 1 346.475 0.333 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccon3)C2)nn1 ZINC001051864119 763147112 /nfs/dbraw/zinc/14/71/12/763147112.db2.gz UXMCHARHZAMLRS-AWEZNQCLSA-N 1 1 346.391 0.473 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(=O)n1C ZINC001089846683 763149754 /nfs/dbraw/zinc/14/97/54/763149754.db2.gz OYVCNBBYPRPSEA-XGUBFFRZSA-N 1 1 328.416 0.931 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2nnn(C)n2)C1 ZINC001089847581 763156548 /nfs/dbraw/zinc/15/65/48/763156548.db2.gz VTFTZXKWVLFMKU-AJNGGQMLSA-N 1 1 330.436 0.959 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001054638525 768113021 /nfs/dbraw/zinc/11/30/21/768113021.db2.gz QMUXNERFBWWLCI-JSGCOSHPSA-N 1 1 330.436 0.778 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)cc1F ZINC001014813007 763217713 /nfs/dbraw/zinc/21/77/13/763217713.db2.gz XJDZWYDGJDYWMY-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)cc1F ZINC001014813007 763217718 /nfs/dbraw/zinc/21/77/18/763217718.db2.gz XJDZWYDGJDYWMY-HUUCEWRRSA-N 1 1 344.390 0.914 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nonc3C)C2)nc1 ZINC001051906629 763297386 /nfs/dbraw/zinc/29/73/86/763297386.db2.gz RFMBQMVMAGRYNO-CQSZACIVSA-N 1 1 341.371 0.385 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001046891691 763316264 /nfs/dbraw/zinc/31/62/64/763316264.db2.gz XIJZJFWAQXDKEG-MAUKXSAKSA-N 1 1 345.447 0.567 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H]3CCCN(C)C3=O)C2)cc1 ZINC001031892229 763347002 /nfs/dbraw/zinc/34/70/02/763347002.db2.gz RYAXICAMRZAJSN-KRWDZBQOSA-N 1 1 325.412 0.950 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 ZINC001127683985 763348466 /nfs/dbraw/zinc/34/84/66/763348466.db2.gz DXZVAVKZDJBHQS-UHFFFAOYSA-N 1 1 328.420 0.943 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940514052 763351134 /nfs/dbraw/zinc/35/11/34/763351134.db2.gz ZPBYSPNTUZMHBB-PMPSAXMXSA-N 1 1 335.448 0.733 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000940509178 763358225 /nfs/dbraw/zinc/35/82/25/763358225.db2.gz IIXBCFYCMFLGPA-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC(Nc2ccnc(C#N)n2)C1 ZINC001051948621 763421548 /nfs/dbraw/zinc/42/15/48/763421548.db2.gz WFVIYMOTCDNNNY-YMAMQOFZSA-N 1 1 342.447 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(CCC)n2)C1 ZINC001030462044 763433279 /nfs/dbraw/zinc/43/32/79/763433279.db2.gz IYDRKQBZNWLKQB-AWEZNQCLSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2noc(CCC)n2)C1 ZINC001030462044 763433285 /nfs/dbraw/zinc/43/32/85/763433285.db2.gz IYDRKQBZNWLKQB-AWEZNQCLSA-N 1 1 331.420 0.420 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(CC3CC3)no2)C1 ZINC001030464548 763459054 /nfs/dbraw/zinc/45/90/54/763459054.db2.gz YVTDCLUFCHUSSK-HNNXBMFYSA-N 1 1 343.431 0.420 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc(CC3CC3)no2)C1 ZINC001030464548 763459059 /nfs/dbraw/zinc/45/90/59/763459059.db2.gz YVTDCLUFCHUSSK-HNNXBMFYSA-N 1 1 343.431 0.420 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046961374 763468747 /nfs/dbraw/zinc/46/87/47/763468747.db2.gz WJTKMVRGKGAUJV-NSHDSACASA-N 1 1 326.347 0.653 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)C1 ZINC001046963775 763474388 /nfs/dbraw/zinc/47/43/88/763474388.db2.gz JISOSZRYNNPQTJ-UONOGXRCSA-N 1 1 344.406 0.693 20 30 ECEDMO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001105995039 763480960 /nfs/dbraw/zinc/48/09/60/763480960.db2.gz LCJOUAFWMDWLKT-UONOGXRCSA-N 1 1 340.387 0.616 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)c1 ZINC000995096628 763498884 /nfs/dbraw/zinc/49/88/84/763498884.db2.gz MFIOOLWISUGYDL-UKRRQHHQSA-N 1 1 339.403 0.275 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001046987906 763519201 /nfs/dbraw/zinc/51/92/01/763519201.db2.gz YFPFWUJEESBZQR-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001046987906 763519205 /nfs/dbraw/zinc/51/92/05/763519205.db2.gz YFPFWUJEESBZQR-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 ZINC001077573272 763528530 /nfs/dbraw/zinc/52/85/30/763528530.db2.gz HCGSUMDHMPHSOH-FRFSOERESA-N 1 1 332.448 0.653 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001077573274 763530268 /nfs/dbraw/zinc/53/02/68/763530268.db2.gz HCGSUMDHMPHSOH-YSVLISHTSA-N 1 1 332.448 0.653 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001046994041 763531509 /nfs/dbraw/zinc/53/15/09/763531509.db2.gz GUYJCLLLYUHZFV-OLZOCXBDSA-N 1 1 337.374 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001046994041 763531512 /nfs/dbraw/zinc/53/15/12/763531512.db2.gz GUYJCLLLYUHZFV-OLZOCXBDSA-N 1 1 337.374 0.547 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046996083 763536168 /nfs/dbraw/zinc/53/61/68/763536168.db2.gz SMEDDNJGMHKUPQ-LBPRGKRZSA-N 1 1 340.374 0.434 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046996083 763536177 /nfs/dbraw/zinc/53/61/77/763536177.db2.gz SMEDDNJGMHKUPQ-LBPRGKRZSA-N 1 1 340.374 0.434 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031917178 763558320 /nfs/dbraw/zinc/55/83/20/763558320.db2.gz PVBSWGWNRGAETH-CQSZACIVSA-N 1 1 332.429 0.789 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 ZINC001047023123 763562956 /nfs/dbraw/zinc/56/29/56/763562956.db2.gz JJYFYJCANGALAO-BHPKHCPMSA-N 1 1 328.420 0.853 20 30 ECEDMO CN(CCOCCNc1ncc(C#N)cc1F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001127320373 768145112 /nfs/dbraw/zinc/14/51/12/768145112.db2.gz RYMXREWNWGXBCQ-CQSZACIVSA-N 1 1 349.410 0.931 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)CC1 ZINC001052013178 763585146 /nfs/dbraw/zinc/58/51/46/763585146.db2.gz SFTJOBZOPQPQNA-JKSUJKDBSA-N 1 1 333.432 0.181 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)CC1 ZINC001052017526 763594709 /nfs/dbraw/zinc/59/47/09/763594709.db2.gz MJJMCKBJUFDEPD-HOTGVXAUSA-N 1 1 330.436 0.081 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccncc3C)C2)CC1 ZINC001052027393 763621441 /nfs/dbraw/zinc/62/14/41/763621441.db2.gz FQLLYUFQCIFLPY-SFHVURJKSA-N 1 1 326.444 0.784 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)CC1 ZINC001052030424 763629450 /nfs/dbraw/zinc/62/94/50/763629450.db2.gz NUPDEYCHCZNNOW-IXDOHACOSA-N 1 1 346.475 0.143 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn4c(n3)CCCC4)C2)CC1 ZINC001052033040 763636331 /nfs/dbraw/zinc/63/63/31/763636331.db2.gz MIGKPGAMWMTQEX-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036679 763650711 /nfs/dbraw/zinc/65/07/11/763650711.db2.gz SIKDOJCXANQRHY-MSOLQXFVSA-N 1 1 332.492 0.568 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)nnn3CC)C2)CC1 ZINC001052036953 763652443 /nfs/dbraw/zinc/65/24/43/763652443.db2.gz YYHWAPRQMPDSAI-MRXNPFEDSA-N 1 1 344.463 0.462 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccncc3)C2)CC1 ZINC001052045171 763682291 /nfs/dbraw/zinc/68/22/91/763682291.db2.gz QWYKRAZGXCITLJ-SFHVURJKSA-N 1 1 326.444 0.866 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)CC1 ZINC001052046682 763688805 /nfs/dbraw/zinc/68/88/05/763688805.db2.gz BSGBIDMTTQCYLC-HZPDHXFCSA-N 1 1 349.479 0.182 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)CC1 ZINC001052046682 763688810 /nfs/dbraw/zinc/68/88/10/763688810.db2.gz BSGBIDMTTQCYLC-HZPDHXFCSA-N 1 1 349.479 0.182 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C2)CC1 ZINC001052047680 763691651 /nfs/dbraw/zinc/69/16/51/763691651.db2.gz WJSZAXUDVXUDOA-HNNXBMFYSA-N 1 1 345.447 0.142 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C2)CC1 ZINC001052047680 763691655 /nfs/dbraw/zinc/69/16/55/763691655.db2.gz WJSZAXUDVXUDOA-HNNXBMFYSA-N 1 1 345.447 0.142 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)CC1 ZINC001052052658 763717093 /nfs/dbraw/zinc/71/70/93/763717093.db2.gz SUIRAMBDFWBQRS-OKZBNKHCSA-N 1 1 346.475 0.791 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3cn(C)nn3)CC2)C1 ZINC001052062767 763748378 /nfs/dbraw/zinc/74/83/78/763748378.db2.gz NNXVCVNADHGHLN-MRXNPFEDSA-N 1 1 346.479 0.746 20 30 ECEDMO CC(C)N1C(=O)CC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052067602 763760221 /nfs/dbraw/zinc/76/02/21/763760221.db2.gz BZGYNFLPFGVDTK-HOTGVXAUSA-N 1 1 347.463 0.128 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3ccc(C#N)cc3)C2)O1 ZINC001030515734 763762014 /nfs/dbraw/zinc/76/20/14/763762014.db2.gz IJRIZAKUERORHS-CXAGYDPISA-N 1 1 328.416 0.578 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3ccc(C#N)cc3)C2)O1 ZINC001030515734 763762020 /nfs/dbraw/zinc/76/20/20/763762020.db2.gz IJRIZAKUERORHS-CXAGYDPISA-N 1 1 328.416 0.578 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3ccccc3C#N)C2)O1 ZINC001030515871 763762821 /nfs/dbraw/zinc/76/28/21/763762821.db2.gz LBGQXGCKUVJENN-CXAGYDPISA-N 1 1 328.416 0.578 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3ccccc3C#N)C2)O1 ZINC001030515871 763762829 /nfs/dbraw/zinc/76/28/29/763762829.db2.gz LBGQXGCKUVJENN-CXAGYDPISA-N 1 1 328.416 0.578 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081617 763798844 /nfs/dbraw/zinc/79/88/44/763798844.db2.gz CUTQEHXXXZGOSI-QZTJIDSGSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081617 763798853 /nfs/dbraw/zinc/79/88/53/763798853.db2.gz CUTQEHXXXZGOSI-QZTJIDSGSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052081945 763800229 /nfs/dbraw/zinc/80/02/29/763800229.db2.gz GTFHNUFUSXCOLK-KRWDZBQOSA-N 1 1 332.492 0.570 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3nccn4ccnc34)C2)CC1 ZINC001052085476 763811765 /nfs/dbraw/zinc/81/17/65/763811765.db2.gz FQQDJKYMBVKEOG-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3nccn4ccnc34)C2)CC1 ZINC001052085476 763811774 /nfs/dbraw/zinc/81/17/74/763811774.db2.gz FQQDJKYMBVKEOG-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)CC1 ZINC001052087588 763819092 /nfs/dbraw/zinc/81/90/92/763819092.db2.gz ZNRCNLBFXQPZGY-HNNXBMFYSA-N 1 1 328.416 0.561 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001047233749 763822648 /nfs/dbraw/zinc/82/26/48/763822648.db2.gz FFQXWJJCJQJVAM-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001047233749 763822657 /nfs/dbraw/zinc/82/26/57/763822657.db2.gz FFQXWJJCJQJVAM-GUTXKFCHSA-N 1 1 344.419 0.376 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2C[NH+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC001031963410 763826274 /nfs/dbraw/zinc/82/62/74/763826274.db2.gz NFVLZHFFZWBBFS-INIZCTEOSA-N 1 1 326.400 0.345 20 30 ECEDMO CCc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)nc1 ZINC001052092352 763832844 /nfs/dbraw/zinc/83/28/44/763832844.db2.gz YVKUZHGYIKJZPS-GOSISDBHSA-N 1 1 341.459 0.929 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3csc4cncn43)C2)CC1 ZINC001052093372 763836468 /nfs/dbraw/zinc/83/64/68/763836468.db2.gz MDFGFVSIZSBGNI-CQSZACIVSA-N 1 1 343.456 0.861 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001052093150 763836745 /nfs/dbraw/zinc/83/67/45/763836745.db2.gz KEBJQKUOFFGYQQ-MSOLQXFVSA-N 1 1 347.507 0.991 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H](N3CC[NH+](CC=C)CC3)C2)nn1 ZINC001052096640 763848157 /nfs/dbraw/zinc/84/81/57/763848157.db2.gz NVMHEHVPNZLSRA-MRXNPFEDSA-N 1 1 344.463 0.872 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C2)CC1 ZINC001052097554 763851416 /nfs/dbraw/zinc/85/14/16/763851416.db2.gz ZNXAGTAMIBYIFW-SQNIBIBYSA-N 1 1 331.460 0.819 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)nc2)C1 ZINC001106343871 768170467 /nfs/dbraw/zinc/17/04/67/768170467.db2.gz DZFAFALZEPDYTG-BBRMVZONSA-N 1 1 331.420 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2ccc(C#N)nc2)C1 ZINC001106343871 768170472 /nfs/dbraw/zinc/17/04/72/768170472.db2.gz DZFAFALZEPDYTG-BBRMVZONSA-N 1 1 331.420 0.981 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)n3cccn3)C2)CC1 ZINC001052103080 763867900 /nfs/dbraw/zinc/86/79/00/763867900.db2.gz LBERIBKUGNKKJP-DLBZAZTESA-N 1 1 329.448 0.686 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3nonc3C)C2)CC1 ZINC001052102880 763867984 /nfs/dbraw/zinc/86/79/84/763867984.db2.gz JYROUQOZYQODLU-OAHLLOKOSA-N 1 1 331.420 0.162 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4c3CCCC4)C2)CC1 ZINC001052105824 763877203 /nfs/dbraw/zinc/87/72/03/763877203.db2.gz QWCIBLMTGUKDKJ-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C2)CC1 ZINC001052106972 763884762 /nfs/dbraw/zinc/88/47/62/763884762.db2.gz YHEXDTLZVQGFME-OAHLLOKOSA-N 1 1 343.475 0.927 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107972 763888592 /nfs/dbraw/zinc/88/85/92/763888592.db2.gz JFNDZXBRYMEJSN-ZWKOTPCHSA-N 1 1 332.492 0.570 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2nccnc2C#N)C1 ZINC001106344758 768172691 /nfs/dbraw/zinc/17/26/91/768172691.db2.gz PNSZBWNEYMEHGK-TZMCWYRMSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCNc2nccnc2C#N)C1 ZINC001106344758 768172698 /nfs/dbraw/zinc/17/26/98/768172698.db2.gz PNSZBWNEYMEHGK-TZMCWYRMSA-N 1 1 332.408 0.376 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4cc[nH]c34)C2)CC1 ZINC001052112178 763906804 /nfs/dbraw/zinc/90/68/04/763906804.db2.gz ONCZHBZYTKQUCL-HNNXBMFYSA-N 1 1 340.431 0.518 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3c(C)csc3=O)C2)CC1 ZINC001052117659 763928579 /nfs/dbraw/zinc/92/85/79/763928579.db2.gz WKPYHLBARLZTCR-HNNXBMFYSA-N 1 1 348.472 0.070 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121842 763943576 /nfs/dbraw/zinc/94/35/76/763943576.db2.gz IMZXINWROOZOLE-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO CN(C(=O)c1ccon1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047310951 763953025 /nfs/dbraw/zinc/95/30/25/763953025.db2.gz KFZQPQIBXXTUCL-HOTGVXAUSA-N 1 1 326.356 0.864 20 30 ECEDMO CN(C(=O)c1ccon1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047310951 763953032 /nfs/dbraw/zinc/95/30/32/763953032.db2.gz KFZQPQIBXXTUCL-HOTGVXAUSA-N 1 1 326.356 0.864 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccc(C(N)=O)[nH]3)C2)s1 ZINC001031982473 763963587 /nfs/dbraw/zinc/96/35/87/763963587.db2.gz RIVVOOMPGZPHDA-UHFFFAOYSA-N 1 1 343.412 0.909 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnccn3)CC2)C1=O ZINC001052167006 763997164 /nfs/dbraw/zinc/99/71/64/763997164.db2.gz OMEXZIIUFLSMEA-HOCLYGCPSA-N 1 1 343.431 0.848 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)CC2)cc1 ZINC001052184951 764022000 /nfs/dbraw/zinc/02/20/00/764022000.db2.gz VLLMPHJJIIBYKP-MRXNPFEDSA-N 1 1 339.403 0.716 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)CC3CCC3)C2)C1=O ZINC001047333595 764034031 /nfs/dbraw/zinc/03/40/31/764034031.db2.gz LELHDIDZFYYWEY-JYJNAYRXSA-N 1 1 335.448 0.467 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)CC3CCC3)C2)C1=O ZINC001047333595 764034035 /nfs/dbraw/zinc/03/40/35/764034035.db2.gz LELHDIDZFYYWEY-JYJNAYRXSA-N 1 1 335.448 0.467 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)NC1=O ZINC001038599293 764053563 /nfs/dbraw/zinc/05/35/63/764053563.db2.gz ZFVMDDNCQKZTHX-HUUCEWRRSA-N 1 1 327.388 0.272 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)NC1=O ZINC001038599293 764053572 /nfs/dbraw/zinc/05/35/72/764053572.db2.gz ZFVMDDNCQKZTHX-HUUCEWRRSA-N 1 1 327.388 0.272 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001047353109 764086966 /nfs/dbraw/zinc/08/69/66/764086966.db2.gz ZEQKJGZZWUAGLM-RCBQFDQVSA-N 1 1 332.404 0.430 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)[C@@H]1C ZINC001088868045 764096933 /nfs/dbraw/zinc/09/69/33/764096933.db2.gz HQCTXEHUCPNTIC-WCVJEAGWSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)[C@@H]1C ZINC001088868045 764096938 /nfs/dbraw/zinc/09/69/38/764096938.db2.gz HQCTXEHUCPNTIC-WCVJEAGWSA-N 1 1 335.448 0.779 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3nccnc3C#N)C[C@@]2(C)C1 ZINC001052233597 764105113 /nfs/dbraw/zinc/10/51/13/764105113.db2.gz FABPTDJALAEGHS-SIIHOXLZSA-N 1 1 340.431 0.727 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(C#N)nn3)C[C@@]2(C)C1 ZINC001052234454 764106152 /nfs/dbraw/zinc/10/61/52/764106152.db2.gz RRSXWBMFCSWJNF-SIIHOXLZSA-N 1 1 340.431 0.727 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnn(CCC)c3)C2)C1=O ZINC001032017872 764134943 /nfs/dbraw/zinc/13/49/43/764134943.db2.gz GFUIRVWPKFVLRL-INIZCTEOSA-N 1 1 345.447 0.742 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001106976144 764185898 /nfs/dbraw/zinc/18/58/98/764185898.db2.gz VBEZCHUAJMGMEW-CABCVRRESA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001047397534 764210998 /nfs/dbraw/zinc/21/09/98/764210998.db2.gz WMLNVVRUXCOEHP-ILXRZTDVSA-N 1 1 330.384 0.353 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001047397534 764211003 /nfs/dbraw/zinc/21/10/03/764211003.db2.gz WMLNVVRUXCOEHP-ILXRZTDVSA-N 1 1 330.384 0.353 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001047404090 764234186 /nfs/dbraw/zinc/23/41/86/764234186.db2.gz RGMKHYABBRDMPY-HOTGVXAUSA-N 1 1 342.403 0.356 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2C[NH+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001032040999 764249023 /nfs/dbraw/zinc/24/90/23/764249023.db2.gz AIVBCKUYVQFCIZ-OAHLLOKOSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)no2)C1 ZINC001047418113 764282143 /nfs/dbraw/zinc/28/21/43/764282143.db2.gz BHEHPKIHUCKZGD-UWVGGRQHSA-N 1 1 331.294 0.834 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)no2)C1 ZINC001047418113 764282150 /nfs/dbraw/zinc/28/21/50/764282150.db2.gz BHEHPKIHUCKZGD-UWVGGRQHSA-N 1 1 331.294 0.834 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3nc(CC)oc3C)C2)C1=O ZINC001032046124 764289633 /nfs/dbraw/zinc/28/96/33/764289633.db2.gz ZSPZWKKAEOAFQI-AWEZNQCLSA-N 1 1 346.431 0.994 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2CCCCC3)C1 ZINC001047426485 764310572 /nfs/dbraw/zinc/31/05/72/764310572.db2.gz UCPLWLYSLFKNDS-HOTGVXAUSA-N 1 1 330.432 0.750 20 30 ECEDMO C=CCOc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)cc1 ZINC001047433234 764331521 /nfs/dbraw/zinc/33/15/21/764331521.db2.gz FOMNHULMUJXMIG-JQFCIGGWSA-N 1 1 334.416 0.749 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(NC(C)=O)n2)C1 ZINC001047438250 764343924 /nfs/dbraw/zinc/34/39/24/764343924.db2.gz FHNHQRDUEQBVMQ-STQMWFEESA-N 1 1 336.417 0.242 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1C ZINC001088894948 764388857 /nfs/dbraw/zinc/38/88/57/764388857.db2.gz AADJKPJENHKOKK-OLZOCXBDSA-N 1 1 330.392 0.046 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnc3ccccc3n2)C1 ZINC001047458305 764405305 /nfs/dbraw/zinc/40/53/05/764405305.db2.gz KZPGSVVSSFQCLC-GJZGRUSLSA-N 1 1 327.388 0.718 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnc3ccccc3n2)C1 ZINC001047458305 764405311 /nfs/dbraw/zinc/40/53/11/764405311.db2.gz KZPGSVVSSFQCLC-GJZGRUSLSA-N 1 1 327.388 0.718 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001047460535 764413321 /nfs/dbraw/zinc/41/33/21/764413321.db2.gz KERRWKLFRIRTBT-IRXDYDNUSA-N 1 1 330.432 0.289 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001047460535 764413326 /nfs/dbraw/zinc/41/33/26/764413326.db2.gz KERRWKLFRIRTBT-IRXDYDNUSA-N 1 1 330.432 0.289 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(C)c3)[C@@H]2C)nn1 ZINC001088906919 764419106 /nfs/dbraw/zinc/41/91/06/764419106.db2.gz RQOYVTCBELIGBM-HIFRSBDPSA-N 1 1 343.435 0.633 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001047471293 764437921 /nfs/dbraw/zinc/43/79/21/764437921.db2.gz MHZLZQIZCKHCJA-BBWFWOEESA-N 1 1 337.464 0.177 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001047471293 764437928 /nfs/dbraw/zinc/43/79/28/764437928.db2.gz MHZLZQIZCKHCJA-BBWFWOEESA-N 1 1 337.464 0.177 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(N3CCCC3)ncn2)[C@@H](O)C1 ZINC001083779734 764439324 /nfs/dbraw/zinc/43/93/24/764439324.db2.gz QWTHQLGWKJTMLM-CABCVRRESA-N 1 1 331.420 0.428 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(N3CCCC3)ncn2)[C@@H](O)C1 ZINC001083779734 764439328 /nfs/dbraw/zinc/43/93/28/764439328.db2.gz QWTHQLGWKJTMLM-CABCVRRESA-N 1 1 331.420 0.428 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001047479726 764467143 /nfs/dbraw/zinc/46/71/43/764467143.db2.gz VXLTYRKBPPEPTM-KBMXLJTQSA-N 1 1 329.400 0.802 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001047479726 764467145 /nfs/dbraw/zinc/46/71/45/764467145.db2.gz VXLTYRKBPPEPTM-KBMXLJTQSA-N 1 1 329.400 0.802 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001047500869 764525498 /nfs/dbraw/zinc/52/54/98/764525498.db2.gz KPRHYQAZXCUEQS-JYJNAYRXSA-N 1 1 337.464 0.856 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001047501406 764526297 /nfs/dbraw/zinc/52/62/97/764526297.db2.gz BXDOJRDHKWKJKY-PVAVHDDUSA-N 1 1 330.432 0.281 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001047501288 764526673 /nfs/dbraw/zinc/52/66/73/764526673.db2.gz PSIXXMKCNVWJEM-ULQDDVLXSA-N 1 1 337.464 0.319 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001047501288 764526681 /nfs/dbraw/zinc/52/66/81/764526681.db2.gz PSIXXMKCNVWJEM-ULQDDVLXSA-N 1 1 337.464 0.319 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001047504585 764537067 /nfs/dbraw/zinc/53/70/67/764537067.db2.gz OMVCVLDLGOVMOP-IHRRRGAJSA-N 1 1 329.391 0.100 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001047504585 764537073 /nfs/dbraw/zinc/53/70/73/764537073.db2.gz OMVCVLDLGOVMOP-IHRRRGAJSA-N 1 1 329.391 0.100 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nc(C)no2)CC1 ZINC001052457299 764541577 /nfs/dbraw/zinc/54/15/77/764541577.db2.gz QYAASWPXKNSART-CVEARBPZSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nc(C)no2)CC1 ZINC001052457299 764541583 /nfs/dbraw/zinc/54/15/83/764541583.db2.gz QYAASWPXKNSART-CVEARBPZSA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H](C)C(C)C)C1 ZINC001041994261 782569229 /nfs/dbraw/zinc/56/92/29/782569229.db2.gz LMOHGPUQXIGWIT-CVEARBPZSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H](C)C(C)C)C1 ZINC001041994261 782569239 /nfs/dbraw/zinc/56/92/39/782569239.db2.gz LMOHGPUQXIGWIT-CVEARBPZSA-N 1 1 349.475 0.456 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001047519248 764572695 /nfs/dbraw/zinc/57/26/95/764572695.db2.gz CHLVEHAASAMOAC-GJZGRUSLSA-N 1 1 335.448 0.469 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001047519248 764572702 /nfs/dbraw/zinc/57/27/02/764572702.db2.gz CHLVEHAASAMOAC-GJZGRUSLSA-N 1 1 335.448 0.469 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001047523236 764584398 /nfs/dbraw/zinc/58/43/98/764584398.db2.gz UPPRVXOMQYPZBQ-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001047523236 764584403 /nfs/dbraw/zinc/58/44/03/764584403.db2.gz UPPRVXOMQYPZBQ-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001052476984 764587685 /nfs/dbraw/zinc/58/76/85/764587685.db2.gz DBMSPMZOLFAROS-SJORKVTESA-N 1 1 349.475 0.723 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc(C)c2C(F)(F)F)C1 ZINC001047525219 764591201 /nfs/dbraw/zinc/59/12/01/764591201.db2.gz DPHFIZUFGYCVFA-QWRGUYRKSA-N 1 1 344.337 0.877 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc(C)c2C(F)(F)F)C1 ZINC001047525219 764591207 /nfs/dbraw/zinc/59/12/07/764591207.db2.gz DPHFIZUFGYCVFA-QWRGUYRKSA-N 1 1 344.337 0.877 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3ncn(C)c3n2)C1 ZINC001047525402 764591252 /nfs/dbraw/zinc/59/12/52/764591252.db2.gz JTQZRQUJSAJCGJ-GJZGRUSLSA-N 1 1 329.404 0.662 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3cc(C)nc3c2)C1 ZINC001047528209 764600730 /nfs/dbraw/zinc/60/07/30/764600730.db2.gz NEQSILOXEHFLED-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3cc(C)nc3c2)C1 ZINC001047528209 764600734 /nfs/dbraw/zinc/60/07/34/764600734.db2.gz NEQSILOXEHFLED-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001047529898 764609773 /nfs/dbraw/zinc/60/97/73/764609773.db2.gz TWXSFSOSXUTZIL-QZWWFDLISA-N 1 1 331.416 0.676 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001047529898 764609775 /nfs/dbraw/zinc/60/97/75/764609775.db2.gz TWXSFSOSXUTZIL-QZWWFDLISA-N 1 1 331.416 0.676 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cnnn2)C1 ZINC001089879836 764635796 /nfs/dbraw/zinc/63/57/96/764635796.db2.gz FNHVRCIKIMBRKR-VGWMRTNUSA-N 1 1 330.436 0.808 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001047545631 764652007 /nfs/dbraw/zinc/65/20/07/764652007.db2.gz TYJNMVQZIJGDPU-QWRGUYRKSA-N 1 1 332.326 0.742 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001047545631 764652015 /nfs/dbraw/zinc/65/20/15/764652015.db2.gz TYJNMVQZIJGDPU-QWRGUYRKSA-N 1 1 332.326 0.742 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)CC1 ZINC001052521577 764681503 /nfs/dbraw/zinc/68/15/03/764681503.db2.gz ABMDHSKTAXSXKC-MRXNPFEDSA-N 1 1 331.416 0.712 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cn[nH]n3)CC2)C1=O ZINC001052521503 764681680 /nfs/dbraw/zinc/68/16/80/764681680.db2.gz YYMVZFCAXZCOKD-JSGCOSHPSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001052521503 764681682 /nfs/dbraw/zinc/68/16/82/764681682.db2.gz YYMVZFCAXZCOKD-JSGCOSHPSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnn[nH]3)CC2)C1=O ZINC001052521503 764681684 /nfs/dbraw/zinc/68/16/84/764681684.db2.gz YYMVZFCAXZCOKD-JSGCOSHPSA-N 1 1 332.408 0.176 20 30 ECEDMO C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)CC[NH+]1CCOCC1 ZINC001106383454 768230178 /nfs/dbraw/zinc/23/01/78/768230178.db2.gz UTDQVZNCXROASY-AWEZNQCLSA-N 1 1 331.420 0.982 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cncn3C)[C@H]2C)C1=O ZINC001088981935 764690569 /nfs/dbraw/zinc/69/05/69/764690569.db2.gz VALGFUVVQPGHRF-VNQPRFMTSA-N 1 1 345.447 0.329 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)CC1 ZINC001052567547 764775471 /nfs/dbraw/zinc/77/54/71/764775471.db2.gz DOOSLUMYAPTJBF-CQSZACIVSA-N 1 1 326.404 0.971 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(=O)[nH]c3)[C@H]2C)C1=O ZINC001089019499 764779955 /nfs/dbraw/zinc/77/99/55/764779955.db2.gz PCHUOZSXSWWZIM-SNPRPXQTSA-N 1 1 344.415 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H]3CCN(CC=C)C3=O)C2)cn1 ZINC001032138235 764791994 /nfs/dbraw/zinc/79/19/94/764791994.db2.gz RNUPSANOLFLGMW-KRWDZBQOSA-N 1 1 338.411 0.511 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001047589137 764794885 /nfs/dbraw/zinc/79/48/85/764794885.db2.gz BFDOHDYURNLTFL-HOTGVXAUSA-N 1 1 349.435 0.323 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001052598350 764826661 /nfs/dbraw/zinc/82/66/61/764826661.db2.gz GGOXRABRESWIQI-CVEARBPZSA-N 1 1 337.464 0.577 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c(C)nn(C)c3F)C2)C1=O ZINC001032157729 764832373 /nfs/dbraw/zinc/83/23/73/764832373.db2.gz FDGMALAIPISVAR-CYBMUJFWSA-N 1 1 349.410 0.316 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)nc1 ZINC001047601794 764844933 /nfs/dbraw/zinc/84/49/33/764844933.db2.gz KLTTYTYRQXJGOU-NJAFHUGGSA-N 1 1 343.427 0.607 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)CC1 ZINC001052621414 764868848 /nfs/dbraw/zinc/86/88/48/764868848.db2.gz AUXUHJPYLKXGHL-CYBMUJFWSA-N 1 1 328.844 0.141 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001047613951 764882589 /nfs/dbraw/zinc/88/25/89/764882589.db2.gz RHBXWODOAKCQKV-ROUUACIJSA-N 1 1 327.428 0.819 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001047613951 764882596 /nfs/dbraw/zinc/88/25/96/764882596.db2.gz RHBXWODOAKCQKV-ROUUACIJSA-N 1 1 327.428 0.819 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)C1=O ZINC001015550482 764937672 /nfs/dbraw/zinc/93/76/72/764937672.db2.gz STBHAWMKZHUDPN-IRXDYDNUSA-N 1 1 343.402 0.846 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1=O ZINC001015550482 764937682 /nfs/dbraw/zinc/93/76/82/764937682.db2.gz STBHAWMKZHUDPN-IRXDYDNUSA-N 1 1 343.402 0.846 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1=O ZINC001015565060 764972405 /nfs/dbraw/zinc/97/24/05/764972405.db2.gz XVWAJNPGPWPTSH-HZPDHXFCSA-N 1 1 326.400 0.727 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3n[nH]cc3F)CC2)C1=O ZINC001052691759 764996515 /nfs/dbraw/zinc/99/65/15/764996515.db2.gz YHJCVMKIZURGBQ-TZMCWYRMSA-N 1 1 349.410 0.920 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001052760651 765076509 /nfs/dbraw/zinc/07/65/09/765076509.db2.gz JDBIGBJBSXNEKP-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001052760651 765076511 /nfs/dbraw/zinc/07/65/11/765076511.db2.gz JDBIGBJBSXNEKP-GJZGRUSLSA-N 1 1 326.462 0.805 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000991992695 765087138 /nfs/dbraw/zinc/08/71/38/765087138.db2.gz LHMOKTYPPJJKPG-QWFMPGPPSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(N)=O)CC2)nn1 ZINC001052779138 765104676 /nfs/dbraw/zinc/10/46/76/765104676.db2.gz XJJJRMLXJAPUAP-STQMWFEESA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786271 765119268 /nfs/dbraw/zinc/11/92/68/765119268.db2.gz SFXXBRXONWFYDE-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001052786426 765119831 /nfs/dbraw/zinc/11/98/31/765119831.db2.gz VOBVNGCWUPPTFE-UONOGXRCSA-N 1 1 327.450 0.014 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)CCC(=O)N1 ZINC001015663755 765138725 /nfs/dbraw/zinc/13/87/25/765138725.db2.gz WTCLXCCSBFEXRD-LPHOPBHVSA-N 1 1 325.412 0.897 20 30 ECEDMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CCC(=O)N1 ZINC001015663755 765138729 /nfs/dbraw/zinc/13/87/29/765138729.db2.gz WTCLXCCSBFEXRD-LPHOPBHVSA-N 1 1 325.412 0.897 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCN3CCCS3(=O)=O)C2)C1 ZINC001015675747 765147406 /nfs/dbraw/zinc/14/74/06/765147406.db2.gz DLUGNVPOTYISSH-AWEZNQCLSA-N 1 1 341.477 0.569 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCN3CCCS3(=O)=O)C2)C1 ZINC001015675747 765147409 /nfs/dbraw/zinc/14/74/09/765147409.db2.gz DLUGNVPOTYISSH-AWEZNQCLSA-N 1 1 341.477 0.569 20 30 ECEDMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CCNC1=O ZINC001015694704 765174697 /nfs/dbraw/zinc/17/46/97/765174697.db2.gz BCVHJDYLHVPSLZ-YJBOKZPZSA-N 1 1 326.400 0.775 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001052832280 765197603 /nfs/dbraw/zinc/19/76/03/765197603.db2.gz WBIWQAOWNIAQHT-HZPDHXFCSA-N 1 1 345.447 0.922 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccn(C)c2)C1 ZINC000992026449 765201368 /nfs/dbraw/zinc/20/13/68/765201368.db2.gz KGDUARONFUJSIH-PREGVCBESA-N 1 1 342.443 0.747 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccn(C)c2)C1 ZINC000992026449 765201371 /nfs/dbraw/zinc/20/13/71/765201371.db2.gz KGDUARONFUJSIH-PREGVCBESA-N 1 1 342.443 0.747 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)cn1 ZINC001052879516 765287207 /nfs/dbraw/zinc/28/72/07/765287207.db2.gz ZGBFCKLUWGDTBN-IAGOWNOFSA-N 1 1 340.427 0.926 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(CC)nc3C)C2)C1=O ZINC001015772664 765292380 /nfs/dbraw/zinc/29/23/80/765292380.db2.gz MJQXQWLVPDQPOC-GDBMZVCRSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cn(CC)nc3C)C2)C1=O ZINC001015772664 765292386 /nfs/dbraw/zinc/29/23/86/765292386.db2.gz MJQXQWLVPDQPOC-GDBMZVCRSA-N 1 1 345.447 0.802 20 30 ECEDMO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001052921816 765351219 /nfs/dbraw/zinc/35/12/19/765351219.db2.gz IMZDRMDWBAKWLZ-HZSPNIEDSA-N 1 1 328.420 0.488 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)cc1 ZINC001015809218 765365407 /nfs/dbraw/zinc/36/54/07/765365407.db2.gz KMKBJSXDCMHICY-GDBMZVCRSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)cc1 ZINC001015809218 765365418 /nfs/dbraw/zinc/36/54/18/765365418.db2.gz KMKBJSXDCMHICY-GDBMZVCRSA-N 1 1 343.427 0.979 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)nc(C)n3)C2)C1=O ZINC001015838102 765414821 /nfs/dbraw/zinc/41/48/21/765414821.db2.gz HETAUTQMASXFIS-HOCLYGCPSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nc(C)n3)C2)C1=O ZINC001015838102 765414827 /nfs/dbraw/zinc/41/48/27/765414827.db2.gz HETAUTQMASXFIS-HOCLYGCPSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCCOCC(=O)NC[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001052987267 765464469 /nfs/dbraw/zinc/46/44/69/765464469.db2.gz LJJSHSODWUVYCY-ZBFHGGJFSA-N 1 1 348.447 0.995 20 30 ECEDMO CN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC#N)CC1 ZINC001052988004 765465196 /nfs/dbraw/zinc/46/51/96/765465196.db2.gz UKRHAMWRYZZHHI-FGTMMUONSA-N 1 1 345.491 0.744 20 30 ECEDMO CN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052988004 765465201 /nfs/dbraw/zinc/46/52/01/765465201.db2.gz UKRHAMWRYZZHHI-FGTMMUONSA-N 1 1 345.491 0.744 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CCCO)CC1 ZINC001052990130 765468041 /nfs/dbraw/zinc/46/80/41/765468041.db2.gz MCOANZOBELGMIL-KDURUIRLSA-N 1 1 345.487 0.922 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCO)CC1 ZINC001052990130 765468044 /nfs/dbraw/zinc/46/80/44/765468044.db2.gz MCOANZOBELGMIL-KDURUIRLSA-N 1 1 345.487 0.922 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)nn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001127233641 765484465 /nfs/dbraw/zinc/48/44/65/765484465.db2.gz VEAQICXPFRVDBD-CQSZACIVSA-N 1 1 332.408 0.329 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001053047712 765525882 /nfs/dbraw/zinc/52/58/82/765525882.db2.gz RNQDNSUIJUGBIL-HUUCEWRRSA-N 1 1 346.431 0.122 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C(C)C)nn3)C2)C1=O ZINC001015913316 765536809 /nfs/dbraw/zinc/53/68/09/765536809.db2.gz NDWISLBXXVAMBI-ZFWWWQNUSA-N 1 1 346.435 0.450 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(C(C)C)nn3)C2)C1=O ZINC001015913316 765536817 /nfs/dbraw/zinc/53/68/17/765536817.db2.gz NDWISLBXXVAMBI-ZFWWWQNUSA-N 1 1 346.435 0.450 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)C1 ZINC001053107108 765582307 /nfs/dbraw/zinc/58/23/07/765582307.db2.gz ZJQZKDCUGKAOAZ-GJZGRUSLSA-N 1 1 348.447 0.817 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)cc1 ZINC001077493748 765585772 /nfs/dbraw/zinc/58/57/72/765585772.db2.gz IWABKRFRAVSEJW-KBAYOESNSA-N 1 1 328.412 0.869 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)c1 ZINC000992142064 765636790 /nfs/dbraw/zinc/63/67/90/765636790.db2.gz JRVMQEMKZLPAGB-RHSMWYFYSA-N 1 1 330.363 0.796 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)c1 ZINC000992142064 765636795 /nfs/dbraw/zinc/63/67/95/765636795.db2.gz JRVMQEMKZLPAGB-RHSMWYFYSA-N 1 1 330.363 0.796 20 30 ECEDMO NC(=O)C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000992140746 765639430 /nfs/dbraw/zinc/63/94/30/765639430.db2.gz BCWAKARYFJBCNN-MAUKXSAKSA-N 1 1 329.375 0.776 20 30 ECEDMO NC(=O)C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000992140746 765639434 /nfs/dbraw/zinc/63/94/34/765639434.db2.gz BCWAKARYFJBCNN-MAUKXSAKSA-N 1 1 329.375 0.776 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(=O)c3ccccc23)C1 ZINC001077496263 765656165 /nfs/dbraw/zinc/65/61/65/765656165.db2.gz OEIUCMKRCZDXEN-HZPDHXFCSA-N 1 1 326.352 0.591 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993170101 768310016 /nfs/dbraw/zinc/31/00/16/768310016.db2.gz MRBTVXKNOYQNFD-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993170101 768310023 /nfs/dbraw/zinc/31/00/23/768310023.db2.gz MRBTVXKNOYQNFD-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H]2CCNC2=O)CC3)c1 ZINC000992173360 765765494 /nfs/dbraw/zinc/76/54/94/765765494.db2.gz FTJBDDBESHLBOS-BXWFABGCSA-N 1 1 338.411 0.678 20 30 ECEDMO Cc1nsc(NC[C@H](O)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1C#N ZINC001106105830 765766033 /nfs/dbraw/zinc/76/60/33/765766033.db2.gz YIVBMHGGIYUXGZ-ZYHUDNBSSA-N 1 1 337.449 0.554 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)N(C)C)CC3)c1 ZINC000992178763 765785846 /nfs/dbraw/zinc/78/58/46/765785846.db2.gz OQQVAWZSTCLNKY-QFBILLFUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)N(C)C)CC3)c1 ZINC000992178765 765786107 /nfs/dbraw/zinc/78/61/07/765786107.db2.gz OQQVAWZSTCLNKY-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)CCN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263266 765863983 /nfs/dbraw/zinc/86/39/83/765863983.db2.gz JSWIXAHKHUZBGH-IRXDYDNUSA-N 1 1 349.475 0.729 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC[C@H](O)CNc2ccc(C#N)nc2)C1 ZINC001106109382 765876319 /nfs/dbraw/zinc/87/63/19/765876319.db2.gz XRZBHHFLFAESLD-OAHLLOKOSA-N 1 1 331.420 0.574 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C/C=C\Cl)C2)C1 ZINC001053291209 765920202 /nfs/dbraw/zinc/92/02/02/765920202.db2.gz CXTLVXPTGOJJQV-VOKGJARPSA-N 1 1 337.851 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C/C=C\Cl)C2)C1 ZINC001053291209 765920207 /nfs/dbraw/zinc/92/02/07/765920207.db2.gz CXTLVXPTGOJJQV-VOKGJARPSA-N 1 1 337.851 0.750 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001030839845 765961132 /nfs/dbraw/zinc/96/11/32/765961132.db2.gz SKWUMAYJEPSUQV-GOSISDBHSA-N 1 1 342.443 0.968 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001030839845 765961139 /nfs/dbraw/zinc/96/11/39/765961139.db2.gz SKWUMAYJEPSUQV-GOSISDBHSA-N 1 1 342.443 0.968 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC000992242767 766027742 /nfs/dbraw/zinc/02/77/42/766027742.db2.gz STAQLKLDXKUKDX-KYHPRHEASA-N 1 1 345.447 0.982 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nnnn4CC3)CCC[C@@H]12 ZINC000992249700 766050644 /nfs/dbraw/zinc/05/06/44/766050644.db2.gz NAPFVTVCLCOGPP-JJRVBVJISA-N 1 1 328.420 0.372 20 30 ECEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001089221596 766096887 /nfs/dbraw/zinc/09/68/87/766096887.db2.gz HYAVXNRWYNXSCO-HNNXBMFYSA-N 1 1 344.415 0.887 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cn(C)c(=O)n(C)c3=O)CCC[C@@H]12 ZINC000992267999 766105849 /nfs/dbraw/zinc/10/58/49/766105849.db2.gz HWPFKVVWAXLMLL-RDTXWAMCSA-N 1 1 346.431 0.387 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CSCC#N)C1 ZINC001053436292 766129542 /nfs/dbraw/zinc/12/95/42/766129542.db2.gz HETNYDFKFLFLQI-KBPBESRZSA-N 1 1 340.493 0.796 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)n(C)c1=O ZINC001016353703 766172127 /nfs/dbraw/zinc/17/21/27/766172127.db2.gz JMALLBJKHBDKIV-LLVKDONJSA-N 1 1 345.428 0.661 20 30 ECEDMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n(C)c1=O ZINC001016353703 766172132 /nfs/dbraw/zinc/17/21/32/766172132.db2.gz JMALLBJKHBDKIV-LLVKDONJSA-N 1 1 345.428 0.661 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001017767356 768355337 /nfs/dbraw/zinc/35/53/37/768355337.db2.gz MCWUBICDGFLMCF-OKILXGFUSA-N 1 1 325.376 0.532 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001017767356 768355345 /nfs/dbraw/zinc/35/53/45/768355345.db2.gz MCWUBICDGFLMCF-OKILXGFUSA-N 1 1 325.376 0.532 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)C1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001016370322 766194709 /nfs/dbraw/zinc/19/47/09/766194709.db2.gz VNSWZORUFIHYSP-SSDMNJCBSA-N 1 1 329.404 0.700 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cn4nc(C)cc4[nH]c3=O)CCC[C@@H]12 ZINC000992324467 766279970 /nfs/dbraw/zinc/27/99/70/766279970.db2.gz ZDEFPYJRQJKGIB-RDTXWAMCSA-N 1 1 339.399 0.691 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)COC)C2 ZINC001053534472 766295697 /nfs/dbraw/zinc/29/56/97/766295697.db2.gz DPHJJFCZTKKLDY-YVSFHVDLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)COC)C2 ZINC001053534472 766295700 /nfs/dbraw/zinc/29/57/00/766295700.db2.gz DPHJJFCZTKKLDY-YVSFHVDLSA-N 1 1 347.459 0.616 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001112332660 766309957 /nfs/dbraw/zinc/30/99/57/766309957.db2.gz ZTLRIOXZIMBWFW-QWHCGFSZSA-N 1 1 330.436 0.759 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)CCc1cn(C)nn1)CCO2 ZINC001053552577 766321706 /nfs/dbraw/zinc/32/17/06/766321706.db2.gz XHMTZMSQSCXRGP-UHFFFAOYSA-N 1 1 333.436 0.627 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083691172 766353992 /nfs/dbraw/zinc/35/39/92/766353992.db2.gz BRPPRLGAXWFQCY-NXHRZFHOSA-N 1 1 328.412 0.869 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001045777846 766358895 /nfs/dbraw/zinc/35/88/95/766358895.db2.gz PFDQESPCJCGCJG-YOEHRIQHSA-N 1 1 337.464 0.620 20 30 ECEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#N ZINC001045791891 766375668 /nfs/dbraw/zinc/37/56/68/766375668.db2.gz QYZSVCHGJRQNST-OWCLPIDISA-N 1 1 330.436 0.402 20 30 ECEDMO C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001077555388 766405107 /nfs/dbraw/zinc/40/51/07/766405107.db2.gz MIYIDASZKULPSI-FGTMMUONSA-N 1 1 333.476 0.968 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn3c1CCC3)O2 ZINC001053608641 766424303 /nfs/dbraw/zinc/42/43/03/766424303.db2.gz HIPIUSSSCPINKD-AWEZNQCLSA-N 1 1 328.416 0.816 20 30 ECEDMO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCc3[nH+]ccn31)O2 ZINC001053609277 766427001 /nfs/dbraw/zinc/42/70/01/766427001.db2.gz WAHBBCNHIFQTOI-CABCVRRESA-N 1 1 328.416 0.743 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC1 ZINC001045849963 766432978 /nfs/dbraw/zinc/43/29/78/766432978.db2.gz JYZMOUIDJMYNJA-TWMKSMIVSA-N 1 1 347.459 0.921 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)NC(=O)C3(C)C)CCC[C@@H]12 ZINC000992380251 766435493 /nfs/dbraw/zinc/43/54/93/766435493.db2.gz MBPIAOYJQOEJHE-SJKOYZFVSA-N 1 1 334.420 0.616 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)NC)nn1 ZINC001045861227 766440202 /nfs/dbraw/zinc/44/02/02/766440202.db2.gz KHQUVEMPYXUINK-MCIONIFRSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)NC)nn1 ZINC001045861227 766440204 /nfs/dbraw/zinc/44/02/04/766440204.db2.gz KHQUVEMPYXUINK-MCIONIFRSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)nn1 ZINC001045861691 766441377 /nfs/dbraw/zinc/44/13/77/766441377.db2.gz ALEAKZSHQIPUDN-OLZOCXBDSA-N 1 1 332.408 0.018 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)nn1 ZINC001045861691 766441380 /nfs/dbraw/zinc/44/13/80/766441380.db2.gz ALEAKZSHQIPUDN-OLZOCXBDSA-N 1 1 332.408 0.018 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCn3cncc3C1)O2 ZINC001053617518 766442120 /nfs/dbraw/zinc/44/21/20/766442120.db2.gz AOUSTPSYTHKRGL-RDJZCZTQSA-N 1 1 342.443 0.818 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)no1 ZINC001053620822 766455144 /nfs/dbraw/zinc/45/51/44/766455144.db2.gz VAOPWDJSAYFGAZ-LBPRGKRZSA-N 1 1 333.392 0.223 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccnn1C)O2 ZINC001053629159 766476307 /nfs/dbraw/zinc/47/63/07/766476307.db2.gz HTELMGRJIAWFTC-BZUAXINKSA-N 1 1 342.443 0.897 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC[C@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001045925926 766498750 /nfs/dbraw/zinc/49/87/50/766498750.db2.gz XPIXUTGZGQIWDQ-MAUKXSAKSA-N 1 1 347.463 0.876 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)C1 ZINC001053647147 766507341 /nfs/dbraw/zinc/50/73/41/766507341.db2.gz NOAHLIGVFJWBRB-JKSUJKDBSA-N 1 1 334.464 0.982 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)O2 ZINC001053649441 766510797 /nfs/dbraw/zinc/51/07/97/766510797.db2.gz MADFVXYRNJFBTK-SJORKVTESA-N 1 1 349.475 0.469 20 30 ECEDMO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649674 766512620 /nfs/dbraw/zinc/51/26/20/766512620.db2.gz SMHYWVRGXFNJDM-HZPDHXFCSA-N 1 1 335.448 0.078 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)[C@@H](O)C1 ZINC001083694830 766513646 /nfs/dbraw/zinc/51/36/46/766513646.db2.gz UIMLPLNYWYNBCM-CABCVRRESA-N 1 1 327.388 0.823 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001045951345 766522591 /nfs/dbraw/zinc/52/25/91/766522591.db2.gz XHCMRUOOLPITIC-GOSISDBHSA-N 1 1 346.431 0.840 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC001046000607 766600942 /nfs/dbraw/zinc/60/09/42/766600942.db2.gz UWZSDMBNSZBVTJ-AWEZNQCLSA-N 1 1 331.420 0.590 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1OC ZINC001212258510 766608378 /nfs/dbraw/zinc/60/83/78/766608378.db2.gz UXPKKRJJHXJLIN-MRVWCRGKSA-N 1 1 330.375 0.885 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H](O)CNc2cc(C)[nH+]c(CC)n2)nn1 ZINC001106132215 766610064 /nfs/dbraw/zinc/61/00/64/766610064.db2.gz VYELZNZNTIXSLT-GFCCVEGCSA-N 1 1 345.407 0.328 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)O2 ZINC001053700272 766618713 /nfs/dbraw/zinc/61/87/13/766618713.db2.gz PVUURBXMPRFBCP-HZPDHXFCSA-N 1 1 335.448 0.080 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700272 766618716 /nfs/dbraw/zinc/61/87/16/766618716.db2.gz PVUURBXMPRFBCP-HZPDHXFCSA-N 1 1 335.448 0.080 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C(C)=O)CCO3)CCC[C@H]12 ZINC000992457047 766620618 /nfs/dbraw/zinc/62/06/18/766620618.db2.gz QJHWHRIYPLCHMT-XYJFISCASA-N 1 1 335.448 0.923 20 30 ECEDMO CCn1ccc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046013506 766642823 /nfs/dbraw/zinc/64/28/23/766642823.db2.gz ZKIIZDVGJBPSEC-WBVHZDCISA-N 1 1 344.463 0.781 20 30 ECEDMO CCn1ccc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046013506 766642827 /nfs/dbraw/zinc/64/28/27/766642827.db2.gz ZKIIZDVGJBPSEC-WBVHZDCISA-N 1 1 344.463 0.781 20 30 ECEDMO CO[C@H](C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046022572 766670175 /nfs/dbraw/zinc/67/01/75/766670175.db2.gz TWSIWTDRLXVFCG-RHSMWYFYSA-N 1 1 345.447 0.753 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C)ncn3)CC2)C1 ZINC001046023452 766672834 /nfs/dbraw/zinc/67/28/34/766672834.db2.gz NNMBVOFHHUNDSX-MRXNPFEDSA-N 1 1 327.432 0.640 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc(C)o3)CC2)C1 ZINC001046024960 766677407 /nfs/dbraw/zinc/67/74/07/766677407.db2.gz ACJHKXMSSLHNOD-OAHLLOKOSA-N 1 1 331.420 0.162 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C3CCC(O)CC3)CC2)C1 ZINC001046026612 766684193 /nfs/dbraw/zinc/68/41/93/766684193.db2.gz GCBBFQJXLQEMQN-ADKAHSJRSA-N 1 1 333.476 0.779 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 ZINC001046027828 766688337 /nfs/dbraw/zinc/68/83/37/766688337.db2.gz SDHVTUIJRHBTDW-IAGOWNOFSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCCOC2)C1 ZINC000994751026 766696754 /nfs/dbraw/zinc/69/67/54/766696754.db2.gz LOMLISFSUCUABJ-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCCOC2)C1 ZINC000994751026 766696760 /nfs/dbraw/zinc/69/67/60/766696760.db2.gz LOMLISFSUCUABJ-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2n[nH]cc2C)C1 ZINC001016670878 766700472 /nfs/dbraw/zinc/70/04/72/766700472.db2.gz VKWLAWPDPIDOJZ-NRXISQOPSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2n[nH]cc2C)C1 ZINC001016670878 766700477 /nfs/dbraw/zinc/70/04/77/766700477.db2.gz VKWLAWPDPIDOJZ-NRXISQOPSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncoc2C(C)C)C1 ZINC000994751969 766700653 /nfs/dbraw/zinc/70/06/53/766700653.db2.gz ONOXCQRFSYDYRY-AWEZNQCLSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncoc2C(C)C)C1 ZINC000994751969 766700661 /nfs/dbraw/zinc/70/06/61/766700661.db2.gz ONOXCQRFSYDYRY-AWEZNQCLSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccc[nH]2)C1 ZINC001016671112 766701307 /nfs/dbraw/zinc/70/13/07/766701307.db2.gz YWTXSHBLUIBALW-XUJLQICISA-N 1 1 328.416 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccc[nH]2)C1 ZINC001016671112 766701315 /nfs/dbraw/zinc/70/13/15/766701315.db2.gz YWTXSHBLUIBALW-XUJLQICISA-N 1 1 328.416 0.832 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 ZINC001046033551 766709684 /nfs/dbraw/zinc/70/96/84/766709684.db2.gz HLUAWUXLYHFFRP-QGZVFWFLSA-N 1 1 341.459 0.685 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC001046033832 766711219 /nfs/dbraw/zinc/71/12/19/766711219.db2.gz MFUNQTAFGKPXJM-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccnn3C)CC2)C1 ZINC001046033747 766711546 /nfs/dbraw/zinc/71/15/46/766711546.db2.gz JRLOAOAATUKLEI-GOSISDBHSA-N 1 1 343.475 0.595 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH]cn3)CC2)C1 ZINC001046034164 766713119 /nfs/dbraw/zinc/71/31/19/766713119.db2.gz QMRIYZAXDKUBBV-QGZVFWFLSA-N 1 1 329.448 0.584 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnc[nH]3)CC2)C1 ZINC001046034164 766713126 /nfs/dbraw/zinc/71/31/26/766713126.db2.gz QMRIYZAXDKUBBV-QGZVFWFLSA-N 1 1 329.448 0.584 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnc[nH]3)CC2)C1 ZINC001046034164 766713133 /nfs/dbraw/zinc/71/31/33/766713133.db2.gz QMRIYZAXDKUBBV-QGZVFWFLSA-N 1 1 329.448 0.584 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(C)nc3OC)CC2)C1 ZINC001046035554 766720958 /nfs/dbraw/zinc/72/09/58/766720958.db2.gz OXIDHJDUTFABOL-HNNXBMFYSA-N 1 1 345.447 0.812 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046036035 766723536 /nfs/dbraw/zinc/72/35/36/766723536.db2.gz ZDHPYZOCPQRVIG-INIZCTEOSA-N 1 1 332.448 0.499 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC001046036714 766728642 /nfs/dbraw/zinc/72/86/42/766728642.db2.gz NZCVCHRLRBTXCL-APWZRJJASA-N 1 1 348.491 0.697 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccncc2Cl)C1 ZINC000994756756 766730338 /nfs/dbraw/zinc/73/03/38/766730338.db2.gz YOZBNBFHPZFJLO-HNNXBMFYSA-N 1 1 346.818 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccncc2Cl)C1 ZINC000994756756 766730343 /nfs/dbraw/zinc/73/03/43/766730343.db2.gz YOZBNBFHPZFJLO-HNNXBMFYSA-N 1 1 346.818 0.773 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046037483 766733601 /nfs/dbraw/zinc/73/36/01/766733601.db2.gz QFFIDQSTFAGWRP-JKSUJKDBSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ccncc3)CC2)C1 ZINC001046040146 766745408 /nfs/dbraw/zinc/74/54/08/766745408.db2.gz FLRZEANVJSHCRM-SFHVURJKSA-N 1 1 326.444 0.866 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046040595 766747875 /nfs/dbraw/zinc/74/78/75/766747875.db2.gz FPRUFTRHFFCXIY-JKSUJKDBSA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc(OC)n3)CC2)C1 ZINC001046043629 766762593 /nfs/dbraw/zinc/76/25/93/766762593.db2.gz BUTQJVSLQHGLQA-HNNXBMFYSA-N 1 1 345.447 0.893 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)n(C)n3)CC2)C1 ZINC001046044001 766765211 /nfs/dbraw/zinc/76/52/11/766765211.db2.gz HAVOFWVIZDGTNG-HNNXBMFYSA-N 1 1 347.463 0.837 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC001046046528 766774989 /nfs/dbraw/zinc/77/49/89/766774989.db2.gz GGWLWIRLRLNQHZ-MAUKXSAKSA-N 1 1 334.464 0.307 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)c1 ZINC001053766451 766785705 /nfs/dbraw/zinc/78/57/05/766785705.db2.gz NPMCPKLSJLGUEG-GXTWGEPZSA-N 1 1 330.388 0.496 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c(C)cnn3C)CC2)C1 ZINC001046052547 766795045 /nfs/dbraw/zinc/79/50/45/766795045.db2.gz FPBIOTXBYOYFAE-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC001046054549 766802795 /nfs/dbraw/zinc/80/27/95/766802795.db2.gz AEBIXSPQGOVYJI-HNNXBMFYSA-N 1 1 343.431 0.346 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001046055774 766807694 /nfs/dbraw/zinc/80/76/94/766807694.db2.gz QOUYSPVKUAJCJR-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046055881 766808661 /nfs/dbraw/zinc/80/86/61/766808661.db2.gz JWGLSTBOSHFEFO-QAPCUYQASA-N 1 1 334.464 0.307 20 30 ECEDMO N#CCN1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741320 766827940 /nfs/dbraw/zinc/82/79/40/766827940.db2.gz VLHFYIFAEWBVEK-NWPKHEMWSA-N 1 1 330.432 0.344 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)cc3C)CC2)C1 ZINC001046061167 766829707 /nfs/dbraw/zinc/82/97/07/766829707.db2.gz JRXSPYRZSMLBIO-MRXNPFEDSA-N 1 1 342.443 0.951 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046063025 766836292 /nfs/dbraw/zinc/83/62/92/766836292.db2.gz KJSPZTDRBDAFND-MCIONIFRSA-N 1 1 340.855 0.079 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046063025 766836300 /nfs/dbraw/zinc/83/63/00/766836300.db2.gz KJSPZTDRBDAFND-MCIONIFRSA-N 1 1 340.855 0.079 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC001046067188 766857849 /nfs/dbraw/zinc/85/78/49/766857849.db2.gz UIJKYZMPPWFAHG-HNNXBMFYSA-N 1 1 337.855 0.941 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4cccnn43)CC2)C1 ZINC001046068275 766860890 /nfs/dbraw/zinc/86/08/90/766860890.db2.gz IBIGGZIHRLEQPR-QGZVFWFLSA-N 1 1 337.427 0.800 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046068507 766862392 /nfs/dbraw/zinc/86/23/92/766862392.db2.gz MTCSUBUSODSIIQ-RDJZCZTQSA-N 1 1 329.448 0.440 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068507 766862402 /nfs/dbraw/zinc/86/24/02/766862402.db2.gz MTCSUBUSODSIIQ-RDJZCZTQSA-N 1 1 329.448 0.440 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068507 766862413 /nfs/dbraw/zinc/86/24/13/766862413.db2.gz MTCSUBUSODSIIQ-RDJZCZTQSA-N 1 1 329.448 0.440 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cn(C)nc3C)CC2)C1 ZINC001046070150 766872078 /nfs/dbraw/zinc/87/20/78/766872078.db2.gz MCDUFWQEJBUFJP-GOSISDBHSA-N 1 1 343.475 0.513 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(CC)nn3C)CC2)C1 ZINC001046073324 766886723 /nfs/dbraw/zinc/88/67/23/766886723.db2.gz BHWKSOSMNWEOLX-QGZVFWFLSA-N 1 1 343.475 0.838 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(CC4CC4)c3)CC2)C1 ZINC001046076162 766901617 /nfs/dbraw/zinc/90/16/17/766901617.db2.gz CVIOGJOBWIJCOI-SFHVURJKSA-N 1 1 341.459 0.758 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC001046077841 766909432 /nfs/dbraw/zinc/90/94/32/766909432.db2.gz FBZFWWURJIGWNN-HNNXBMFYSA-N 1 1 330.432 0.403 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](C[C@H](C)O)C3)CC2)nc1 ZINC001046078470 766910572 /nfs/dbraw/zinc/91/05/72/766910572.db2.gz YGXYLHVKHDQESN-DOTOQJQBSA-N 1 1 342.443 0.276 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)C1 ZINC001046079220 766913215 /nfs/dbraw/zinc/91/32/15/766913215.db2.gz RDLAHWMOPXNUGK-OAHLLOKOSA-N 1 1 330.432 0.701 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC001046080189 766915289 /nfs/dbraw/zinc/91/52/89/766915289.db2.gz BSZGCNLKLBKEOX-HNNXBMFYSA-N 1 1 345.447 0.284 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncccc3OC)CC2)C1 ZINC001046080538 766917719 /nfs/dbraw/zinc/91/77/19/766917719.db2.gz PCDYRFGJSJNPCT-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046081806 766920113 /nfs/dbraw/zinc/92/01/13/766920113.db2.gz OYZGBNWSSZRCMP-IAGOWNOFSA-N 1 1 348.491 0.840 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccnc(C)n3)CC2)C1 ZINC001046084081 766923962 /nfs/dbraw/zinc/92/39/62/766923962.db2.gz JCPGBFBJLKOJKA-INIZCTEOSA-N 1 1 327.432 0.640 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)C1 ZINC001046084567 766925221 /nfs/dbraw/zinc/92/52/21/766925221.db2.gz DGCNKBWIGDTOMC-ROUUACIJSA-N 1 1 343.475 0.913 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn(C)c3)CC2)C1 ZINC001046085953 766928127 /nfs/dbraw/zinc/92/81/27/766928127.db2.gz KRYVXQFHFLPIDK-GOSISDBHSA-N 1 1 343.475 0.595 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC001046086449 766928478 /nfs/dbraw/zinc/92/84/78/766928478.db2.gz JCKKVTLIKYJJJF-DOTOQJQBSA-N 1 1 329.448 0.375 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn(C)c3C3CC3)CC2)C1 ZINC001046089931 766932087 /nfs/dbraw/zinc/93/20/87/766932087.db2.gz LVFONVGBXNYATD-INIZCTEOSA-N 1 1 341.459 0.763 20 30 ECEDMO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CO2 ZINC001053829604 766961741 /nfs/dbraw/zinc/96/17/41/766961741.db2.gz GYYDAFQEUHLVAF-WBVHZDCISA-N 1 1 331.460 0.986 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000992608301 767006266 /nfs/dbraw/zinc/00/62/66/767006266.db2.gz LPFQEPVYPUEHTG-CYBMUJFWSA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000992608301 767006276 /nfs/dbraw/zinc/00/62/76/767006276.db2.gz LPFQEPVYPUEHTG-CYBMUJFWSA-N 1 1 343.855 0.813 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn3c(n1)COCC3)CO2 ZINC001053848067 767007932 /nfs/dbraw/zinc/00/79/32/767007932.db2.gz RKKVAZBFCZSXOG-CYBMUJFWSA-N 1 1 332.404 0.563 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001046176122 767020666 /nfs/dbraw/zinc/02/06/66/767020666.db2.gz WBJIJNJIYKRYTH-YJBOKZPZSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001046176122 767020678 /nfs/dbraw/zinc/02/06/78/767020678.db2.gz WBJIJNJIYKRYTH-YJBOKZPZSA-N 1 1 345.447 0.710 20 30 ECEDMO CN1CCC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001046223027 767091273 /nfs/dbraw/zinc/09/12/73/767091273.db2.gz GDJVDFXXRYWVMA-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046239923 767104496 /nfs/dbraw/zinc/10/44/96/767104496.db2.gz OAKLTSIWEUAHQL-PIGZYNQJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046239923 767104497 /nfs/dbraw/zinc/10/44/97/767104497.db2.gz OAKLTSIWEUAHQL-PIGZYNQJSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C2CCOCC2)C1 ZINC000938756468 767107164 /nfs/dbraw/zinc/10/71/64/767107164.db2.gz PPRIWNRBFIBGBH-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C2CCOCC2)C1 ZINC000938756468 767107166 /nfs/dbraw/zinc/10/71/66/767107166.db2.gz PPRIWNRBFIBGBH-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046248541 767108338 /nfs/dbraw/zinc/10/83/38/767108338.db2.gz PFJZGNBVJPMCGU-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccnn3CC)C2)C1=O ZINC001046265097 767117323 /nfs/dbraw/zinc/11/73/23/767117323.db2.gz RUORQLOAJCTFHL-CRAIPNDOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccnn3CC)C2)C1=O ZINC001046265097 767117324 /nfs/dbraw/zinc/11/73/24/767117324.db2.gz RUORQLOAJCTFHL-CRAIPNDOSA-N 1 1 345.447 0.884 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001089729660 767133500 /nfs/dbraw/zinc/13/35/00/767133500.db2.gz RMUFGDFBFRCLCE-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001046312182 767141310 /nfs/dbraw/zinc/14/13/10/767141310.db2.gz RYIZTFIISBFCIB-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046321233 767146648 /nfs/dbraw/zinc/14/66/48/767146648.db2.gz OCPYJKBIRHXGJG-DYVFJYSZSA-N 1 1 331.420 0.919 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cn[nH]c(=O)c3)C2)s1 ZINC001031751127 767147631 /nfs/dbraw/zinc/14/76/31/767147631.db2.gz SMXKGVCCIRPLKI-UHFFFAOYSA-N 1 1 329.385 0.977 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cncn2)C1 ZINC001089764629 767147776 /nfs/dbraw/zinc/14/77/76/767147776.db2.gz QYMDWOGUUZZKBC-QAETUUGQSA-N 1 1 327.432 0.860 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCNC(=O)CC1)CO2 ZINC001053881203 767150278 /nfs/dbraw/zinc/15/02/78/767150278.db2.gz GDFJLKUEBBKZHV-HUUCEWRRSA-N 1 1 335.448 0.828 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001046329557 767152068 /nfs/dbraw/zinc/15/20/68/767152068.db2.gz SPYKQBSJJSLAAE-MBNYWOFBSA-N 1 1 349.460 0.961 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001046329557 767152069 /nfs/dbraw/zinc/15/20/69/767152069.db2.gz SPYKQBSJJSLAAE-MBNYWOFBSA-N 1 1 349.460 0.961 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ncn2)[C@H](OC)C1 ZINC001212289563 767162202 /nfs/dbraw/zinc/16/22/02/767162202.db2.gz LIYAPVWIJUWIBA-ZIAGYGMSSA-N 1 1 336.392 0.117 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ncn2)[C@H](OC)C1 ZINC001212289563 767162205 /nfs/dbraw/zinc/16/22/05/767162205.db2.gz LIYAPVWIJUWIBA-ZIAGYGMSSA-N 1 1 336.392 0.117 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001046375901 767179711 /nfs/dbraw/zinc/17/97/11/767179711.db2.gz QCVFJRREESDPKM-QGZVFWFLSA-N 1 1 327.388 0.891 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC4CC4)[C@@H]3C2)c[nH]1 ZINC001042019251 782610472 /nfs/dbraw/zinc/61/04/72/782610472.db2.gz QXOODPWJTRYIMQ-BLLLJJGKSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC4CC4)[C@@H]3C2)c[nH]1 ZINC001042019251 782610479 /nfs/dbraw/zinc/61/04/79/782610479.db2.gz QXOODPWJTRYIMQ-BLLLJJGKSA-N 1 1 341.415 0.701 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001212313503 767204377 /nfs/dbraw/zinc/20/43/77/767204377.db2.gz PZMHHBNNJVHXIZ-HUUCEWRRSA-N 1 1 333.388 0.157 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001212313503 767204379 /nfs/dbraw/zinc/20/43/79/767204379.db2.gz PZMHHBNNJVHXIZ-HUUCEWRRSA-N 1 1 333.388 0.157 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001212316442 767207174 /nfs/dbraw/zinc/20/71/74/767207174.db2.gz PTUOTHQXLRCRIQ-IJLUTSLNSA-N 1 1 349.353 0.282 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001212316442 767207175 /nfs/dbraw/zinc/20/71/75/767207175.db2.gz PTUOTHQXLRCRIQ-IJLUTSLNSA-N 1 1 349.353 0.282 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(CCOC)nn1 ZINC001089808131 767234003 /nfs/dbraw/zinc/23/40/03/767234003.db2.gz GYJQNDULQIKDAM-IVSAIRAKSA-N 1 1 345.447 0.893 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)nc1OC)CO2 ZINC001053890889 767244789 /nfs/dbraw/zinc/24/47/89/767244789.db2.gz LQMUMRASXSMHKR-ZDUSSCGKSA-N 1 1 334.420 0.968 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001089813555 767266391 /nfs/dbraw/zinc/26/63/91/767266391.db2.gz VHSJKZPGVRMIOV-AJNGGQMLSA-N 1 1 342.447 0.844 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001046531502 767282623 /nfs/dbraw/zinc/28/26/23/767282623.db2.gz PWHAEINBACMMKQ-BEFAXECRSA-N 1 1 339.395 0.667 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1 ZINC001046531502 767282627 /nfs/dbraw/zinc/28/26/27/767282627.db2.gz PWHAEINBACMMKQ-BEFAXECRSA-N 1 1 339.395 0.667 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001089819486 767306885 /nfs/dbraw/zinc/30/68/85/767306885.db2.gz GZHKCQNFQMYUII-PCBIJLKTSA-N 1 1 336.399 0.769 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC000994970169 767312218 /nfs/dbraw/zinc/31/22/18/767312218.db2.gz CEJYUURIILFUIT-KBPBESRZSA-N 1 1 343.435 0.886 20 30 ECEDMO C=CCCN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053904400 767312508 /nfs/dbraw/zinc/31/25/08/767312508.db2.gz NBDCWHPXBRKTBU-JKSUJKDBSA-N 1 1 337.464 0.631 20 30 ECEDMO C=CCCN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053904400 767312510 /nfs/dbraw/zinc/31/25/10/767312510.db2.gz NBDCWHPXBRKTBU-JKSUJKDBSA-N 1 1 337.464 0.631 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053905197 767316407 /nfs/dbraw/zinc/31/64/07/767316407.db2.gz YVZZHZDOPHUOIJ-CVEARBPZSA-N 1 1 335.448 0.078 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053905197 767316410 /nfs/dbraw/zinc/31/64/10/767316410.db2.gz YVZZHZDOPHUOIJ-CVEARBPZSA-N 1 1 335.448 0.078 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2nccs2)C1 ZINC001016925077 767319786 /nfs/dbraw/zinc/31/97/86/767319786.db2.gz IBOPLUGVLIMBEI-RUXDESIVSA-N 1 1 346.456 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2nccs2)C1 ZINC001016925077 767319795 /nfs/dbraw/zinc/31/97/95/767319795.db2.gz IBOPLUGVLIMBEI-RUXDESIVSA-N 1 1 346.456 0.960 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)CO2 ZINC001053906498 767320551 /nfs/dbraw/zinc/32/05/51/767320551.db2.gz AVDMHEMOOMFLIK-LLVKDONJSA-N 1 1 343.387 0.813 20 30 ECEDMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046589838 767341459 /nfs/dbraw/zinc/34/14/59/767341459.db2.gz YIGBPVZPDLCQIX-WMLDXEAASA-N 1 1 327.388 0.320 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001046604686 767356373 /nfs/dbraw/zinc/35/63/73/767356373.db2.gz MOWFCAYEDSUYRI-CRAIPNDOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC001046604686 767356382 /nfs/dbraw/zinc/35/63/82/767356382.db2.gz MOWFCAYEDSUYRI-CRAIPNDOSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC001046605990 767357635 /nfs/dbraw/zinc/35/76/35/767357635.db2.gz ZXDBBROJUQRPTK-LJQANCHMSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC001046605990 767357644 /nfs/dbraw/zinc/35/76/44/767357644.db2.gz ZXDBBROJUQRPTK-LJQANCHMSA-N 1 1 340.427 0.880 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106147407 767369896 /nfs/dbraw/zinc/36/98/96/767369896.db2.gz NTCWLAZWVYQHRE-JKSUJKDBSA-N 1 1 331.420 0.717 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N ZINC001106155111 767392543 /nfs/dbraw/zinc/39/25/43/767392543.db2.gz UVRNJCCPHCJQOA-HOTGVXAUSA-N 1 1 341.415 0.248 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N ZINC001106155111 767392551 /nfs/dbraw/zinc/39/25/51/767392551.db2.gz UVRNJCCPHCJQOA-HOTGVXAUSA-N 1 1 341.415 0.248 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC001089832719 767397841 /nfs/dbraw/zinc/39/78/41/767397841.db2.gz YCXSNSPECXUXFO-NXOAAHMSSA-N 1 1 344.459 0.594 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001106154272 767404379 /nfs/dbraw/zinc/40/43/79/767404379.db2.gz GMHXVBRRRPMAOW-AWEZNQCLSA-N 1 1 332.408 0.030 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(CCC)C1)CO2 ZINC001053941275 767411969 /nfs/dbraw/zinc/41/19/69/767411969.db2.gz VLIIJKFWFFKIMN-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)O1 ZINC001046647251 767414647 /nfs/dbraw/zinc/41/46/47/767414647.db2.gz MCXJXFQDFHGSTJ-GUIRCDHDSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)O1 ZINC001046647251 767414653 /nfs/dbraw/zinc/41/46/53/767414653.db2.gz MCXJXFQDFHGSTJ-GUIRCDHDSA-N 1 1 344.419 0.374 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccnc2n[nH]nc21 ZINC001089835897 767431081 /nfs/dbraw/zinc/43/10/81/767431081.db2.gz LQTPRQKKMMDEJL-MYPMTAMASA-N 1 1 336.399 0.769 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2COC3(C[NH+](C[C@H](CC)OC)C3)C2)nn1 ZINC001053949468 767431653 /nfs/dbraw/zinc/43/16/53/767431653.db2.gz IHKVQLXQVYURKJ-KBPBESRZSA-N 1 1 349.435 0.462 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)nn1 ZINC001053949695 767432607 /nfs/dbraw/zinc/43/26/07/767432607.db2.gz NXKOSDGQWDQTJB-KGLIPLIRSA-N 1 1 347.419 0.074 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccn(C)n3)C2)nn1 ZINC001098780238 767475838 /nfs/dbraw/zinc/47/58/38/767475838.db2.gz SRGGZNAHFFFHPQ-AWEZNQCLSA-N 1 1 329.408 0.765 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001106170679 767481824 /nfs/dbraw/zinc/48/18/24/767481824.db2.gz VMXUASRQXYXYAP-LSDHHAIUSA-N 1 1 346.435 0.358 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001106170678 767481935 /nfs/dbraw/zinc/48/19/35/767481935.db2.gz VMXUASRQXYXYAP-HUUCEWRRSA-N 1 1 346.435 0.358 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001106170829 767482885 /nfs/dbraw/zinc/48/28/85/767482885.db2.gz XARWCHJVEOSPIM-DOTOQJQBSA-N 1 1 345.447 0.385 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cncn3C)C2)nn1 ZINC001046687158 767484594 /nfs/dbraw/zinc/48/45/94/767484594.db2.gz VCDKMIDEUJKALU-INIZCTEOSA-N 1 1 329.408 0.592 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cncn3C)C2)nn1 ZINC001046687158 767484598 /nfs/dbraw/zinc/48/45/98/767484598.db2.gz VCDKMIDEUJKALU-INIZCTEOSA-N 1 1 329.408 0.592 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046690700 767488396 /nfs/dbraw/zinc/48/83/96/767488396.db2.gz DALBKXZXISDFBB-KGLIPLIRSA-N 1 1 337.464 0.476 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(N3CCOCC3)CCC1)CO2 ZINC001053970464 767493389 /nfs/dbraw/zinc/49/33/89/767493389.db2.gz NFPKYCXVTSDNBE-INIZCTEOSA-N 1 1 349.475 0.777 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCN(C(=O)CC)C1)CO2 ZINC001053975094 767504290 /nfs/dbraw/zinc/50/42/90/767504290.db2.gz CJHJRPVASCMJCT-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn([C@H]3CCOC3)nn1)CO2 ZINC001053976521 767507553 /nfs/dbraw/zinc/50/75/53/767507553.db2.gz GQVRHFOORLNPFV-KBPBESRZSA-N 1 1 347.419 0.389 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1nc(C)ccc1=O)CO2 ZINC001053987790 767539791 /nfs/dbraw/zinc/53/97/91/767539791.db2.gz SZPYNIMZPNZQRN-HNNXBMFYSA-N 1 1 346.431 0.477 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CN(CC)CCO1)CO2 ZINC001054014679 767601894 /nfs/dbraw/zinc/60/18/94/767601894.db2.gz PRRRMGZQQWWMQI-JKSUJKDBSA-N 1 1 337.464 0.633 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3ncc[nH]3)C2)C1=O ZINC001017127975 767629542 /nfs/dbraw/zinc/62/95/42/767629542.db2.gz YNSNEYZAZPQUBN-HUUCEWRRSA-N 1 1 345.447 0.981 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054036563 767635358 /nfs/dbraw/zinc/63/53/58/767635358.db2.gz NRPSBUWSCVBBCC-SJORKVTESA-N 1 1 328.416 0.384 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC#N)C1 ZINC001054036563 767635361 /nfs/dbraw/zinc/63/53/61/767635361.db2.gz NRPSBUWSCVBBCC-SJORKVTESA-N 1 1 328.416 0.384 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054049160 767649134 /nfs/dbraw/zinc/64/91/34/767649134.db2.gz RPMHMSOYQSHIFH-DLBZAZTESA-N 1 1 340.427 0.576 20 30 ECEDMO C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001054050353 767649705 /nfs/dbraw/zinc/64/97/05/767649705.db2.gz BHTNUCFIQXZJOF-CVEARBPZSA-N 1 1 328.416 0.787 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2Cc3ccccc3C[N@H+]2CCO)nn1 ZINC001054055512 767653379 /nfs/dbraw/zinc/65/33/79/767653379.db2.gz NACLVMLSQCXGSY-MRXNPFEDSA-N 1 1 341.415 0.613 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2Cc3ccccc3C[N@@H+]2CCO)nn1 ZINC001054055512 767653384 /nfs/dbraw/zinc/65/33/84/767653384.db2.gz NACLVMLSQCXGSY-MRXNPFEDSA-N 1 1 341.415 0.613 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001060476394 767686756 /nfs/dbraw/zinc/68/67/56/767686756.db2.gz KKSCMOUQIUIZOO-QICMWSIFSA-N 1 1 325.416 0.702 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](CCS(C)(=O)=O)C2)C1 ZINC001054102925 767692306 /nfs/dbraw/zinc/69/23/06/767692306.db2.gz VMHZONMSSDBZEU-DZGCQCFKSA-N 1 1 327.450 0.505 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](CCS(C)(=O)=O)C2)C1 ZINC001054102925 767692308 /nfs/dbraw/zinc/69/23/08/767692308.db2.gz VMHZONMSSDBZEU-DZGCQCFKSA-N 1 1 327.450 0.505 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H](C[N@@H+](C)Cc3cnon3)C2)nn1 ZINC001017223697 767737705 /nfs/dbraw/zinc/73/77/05/767737705.db2.gz MCKWQKQVDVOXGC-CYBMUJFWSA-N 1 1 345.407 0.831 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H](C[N@H+](C)Cc3cnon3)C2)nn1 ZINC001017223697 767737707 /nfs/dbraw/zinc/73/77/07/767737707.db2.gz MCKWQKQVDVOXGC-CYBMUJFWSA-N 1 1 345.407 0.831 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001054156378 767752979 /nfs/dbraw/zinc/75/29/79/767752979.db2.gz NXMRJTICZJPHOY-GOSISDBHSA-N 1 1 347.463 0.863 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054161727 767759936 /nfs/dbraw/zinc/75/99/36/767759936.db2.gz NJZQCRORRTVKKH-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001054161727 767759938 /nfs/dbraw/zinc/75/99/38/767759938.db2.gz NJZQCRORRTVKKH-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)cn1 ZINC001017248515 767767656 /nfs/dbraw/zinc/76/76/56/767767656.db2.gz MZNOSZBCMKGPSE-PBHICJAKSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3nnn(C)c3C1)C2 ZINC001054184274 767782299 /nfs/dbraw/zinc/78/22/99/767782299.db2.gz BYMFKEYXTXFGPQ-BEFAXECRSA-N 1 1 341.459 0.868 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C2 ZINC001054197331 767795592 /nfs/dbraw/zinc/79/55/92/767795592.db2.gz WBIYUTQDNOUJHQ-FRQCXROJSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C)c(=O)n(C)c1=O)C2 ZINC001054208692 767805424 /nfs/dbraw/zinc/80/54/24/767805424.db2.gz VKNJAVSKXBKZEU-SFHVURJKSA-N 1 1 346.431 0.198 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001054215517 767815930 /nfs/dbraw/zinc/81/59/30/767815930.db2.gz XAGDSKSNCRKIAB-GOSISDBHSA-N 1 1 348.447 0.819 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(N)=O)C2 ZINC001054226552 767834499 /nfs/dbraw/zinc/83/44/99/767834499.db2.gz SLKPDEVBWFQJOR-CRAIPNDOSA-N 1 1 332.448 0.867 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001054235035 767845286 /nfs/dbraw/zinc/84/52/86/767845286.db2.gz OCEATPNOTXWKFL-FUHWJXTLSA-N 1 1 335.448 0.734 20 30 ECEDMO CN(CCOCCNc1nccnc1C#N)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001127346674 768369491 /nfs/dbraw/zinc/36/94/91/768369491.db2.gz GDJRYPLUBVQFLN-AWEZNQCLSA-N 1 1 346.435 0.577 20 30 ECEDMO CN(CCOCCNc1cncc(C#N)n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001127346916 768370396 /nfs/dbraw/zinc/37/03/96/768370396.db2.gz IPHXLGKFRNJCFL-CQSZACIVSA-N 1 1 346.435 0.577 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127346662 768372550 /nfs/dbraw/zinc/37/25/50/768372550.db2.gz FZXWILSCMDFHSK-UHFFFAOYSA-N 1 1 348.451 0.967 20 30 ECEDMO C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083731805 768422580 /nfs/dbraw/zinc/42/25/80/768422580.db2.gz PBMJFOSJXGEUIL-CFVMTHIKSA-N 1 1 338.839 0.668 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993207535 768482509 /nfs/dbraw/zinc/48/25/09/768482509.db2.gz MXZVGONGTQKPMW-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993207535 768482512 /nfs/dbraw/zinc/48/25/12/768482512.db2.gz MXZVGONGTQKPMW-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)CC[N@H+]1C ZINC001055224305 768682356 /nfs/dbraw/zinc/68/23/56/768682356.db2.gz HMPLGPKHNISVCL-ZSAUSMIDSA-N 1 1 340.431 0.914 20 30 ECEDMO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001106709973 768696264 /nfs/dbraw/zinc/69/62/64/768696264.db2.gz PINHRTIDMVWXFO-HNNXBMFYSA-N 1 1 331.420 0.853 20 30 ECEDMO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001106709973 768696270 /nfs/dbraw/zinc/69/62/70/768696270.db2.gz PINHRTIDMVWXFO-HNNXBMFYSA-N 1 1 331.420 0.853 20 30 ECEDMO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001106709974 768696574 /nfs/dbraw/zinc/69/65/74/768696574.db2.gz PINHRTIDMVWXFO-OAHLLOKOSA-N 1 1 331.420 0.853 20 30 ECEDMO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001106709974 768696576 /nfs/dbraw/zinc/69/65/76/768696576.db2.gz PINHRTIDMVWXFO-OAHLLOKOSA-N 1 1 331.420 0.853 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001018142188 768791797 /nfs/dbraw/zinc/79/17/97/768791797.db2.gz JAXVDVXXWAAQSN-BETUJISGSA-N 1 1 334.420 0.568 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001055344945 768802707 /nfs/dbraw/zinc/80/27/07/768802707.db2.gz JJRSHTUOUXASLV-XUWVNRHRSA-N 1 1 335.448 0.446 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993354812 768853219 /nfs/dbraw/zinc/85/32/19/768853219.db2.gz UBYISNYWMYBQLJ-WBVHZDCISA-N 1 1 338.415 0.694 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993354812 768853229 /nfs/dbraw/zinc/85/32/29/768853229.db2.gz UBYISNYWMYBQLJ-WBVHZDCISA-N 1 1 338.415 0.694 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001018214476 768899622 /nfs/dbraw/zinc/89/96/22/768899622.db2.gz RGNUZIVQRXUNEI-LZWOXQAQSA-N 1 1 339.461 0.157 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC000993371949 768902691 /nfs/dbraw/zinc/90/26/91/768902691.db2.gz ZEAHWMNDKNLLAB-UONOGXRCSA-N 1 1 332.452 0.963 20 30 ECEDMO CCN(CCNc1ccc(C#N)cn1)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001106772989 768912579 /nfs/dbraw/zinc/91/25/79/768912579.db2.gz DIBHTAXAOQKZDT-OAHLLOKOSA-N 1 1 331.420 0.934 20 30 ECEDMO CCN(CCNc1ccc(C#N)cn1)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001106772989 768912587 /nfs/dbraw/zinc/91/25/87/768912587.db2.gz DIBHTAXAOQKZDT-OAHLLOKOSA-N 1 1 331.420 0.934 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001106773165 768912755 /nfs/dbraw/zinc/91/27/55/768912755.db2.gz JYHCXHXSPXLATO-AWEZNQCLSA-N 1 1 332.408 0.329 20 30 ECEDMO CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001106773165 768912759 /nfs/dbraw/zinc/91/27/59/768912759.db2.gz JYHCXHXSPXLATO-AWEZNQCLSA-N 1 1 332.408 0.329 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC1CC[NH+](CCNC(=O)C(C)(F)F)CC1 ZINC001055493819 768936714 /nfs/dbraw/zinc/93/67/14/768936714.db2.gz YPNICDIKXYYTFQ-HNNXBMFYSA-N 1 1 347.406 0.666 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3cccnc3)on2)[C@@H](O)C1 ZINC001083740094 768971749 /nfs/dbraw/zinc/97/17/49/768971749.db2.gz MXWIFPQUFRZDMI-CABCVRRESA-N 1 1 326.356 0.535 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(-c3cccnc3)on2)[C@@H](O)C1 ZINC001083740094 768971755 /nfs/dbraw/zinc/97/17/55/768971755.db2.gz MXWIFPQUFRZDMI-CABCVRRESA-N 1 1 326.356 0.535 20 30 ECEDMO N#CCSCC(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055525728 769002333 /nfs/dbraw/zinc/00/23/33/769002333.db2.gz IUCJMWYRKNKEHO-UHFFFAOYSA-N 1 1 348.472 0.353 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1C[NH+](C[C@H]2C[C@]23CCOC3)C1 ZINC001031276060 769034994 /nfs/dbraw/zinc/03/49/94/769034994.db2.gz IWEDVKOVKQAVLB-KUHUBIRLSA-N 1 1 341.411 0.934 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001031276058 769035086 /nfs/dbraw/zinc/03/50/86/769035086.db2.gz IWEDVKOVKQAVLB-AUUYWEPGSA-N 1 1 341.411 0.934 20 30 ECEDMO C#CCCCCC(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055564182 769124962 /nfs/dbraw/zinc/12/49/62/769124962.db2.gz YJPMJDPCTWRCAY-UHFFFAOYSA-N 1 1 346.435 0.309 20 30 ECEDMO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2ncn(C)n2)CC1 ZINC001055570262 769142685 /nfs/dbraw/zinc/14/26/85/769142685.db2.gz JJYLRBUOLUKZET-UHFFFAOYSA-N 1 1 348.451 0.338 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2cnns2)CC1 ZINC001055573497 769154153 /nfs/dbraw/zinc/15/41/53/769154153.db2.gz YKCPCXMKNITFCS-UHFFFAOYSA-N 1 1 349.460 0.508 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)CC1 ZINC001018370830 769226681 /nfs/dbraw/zinc/22/66/81/769226681.db2.gz BUKKLBKYGUJDMV-CQSZACIVSA-N 1 1 346.435 0.377 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001055602156 769233866 /nfs/dbraw/zinc/23/38/66/769233866.db2.gz RIJMQELSNKTSLS-LSDHHAIUSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055602156 769233869 /nfs/dbraw/zinc/23/38/69/769233869.db2.gz RIJMQELSNKTSLS-LSDHHAIUSA-N 1 1 349.479 0.185 20 30 ECEDMO CC[C@H](C(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1)[NH+](C)C ZINC001055632000 769304982 /nfs/dbraw/zinc/30/49/82/769304982.db2.gz OAOJVERPUFGEGY-DZGCQCFKSA-N 1 1 337.468 0.183 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC000993671842 769459287 /nfs/dbraw/zinc/45/92/87/769459287.db2.gz NODVFZUXPLQMNQ-CABCVRRESA-N 1 1 341.415 0.488 20 30 ECEDMO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C(N)=O)[C@H]2C)cc1C#N ZINC000993744881 769549775 /nfs/dbraw/zinc/54/97/75/769549775.db2.gz LHQLUQNDXGOMCQ-BXUZGUMPSA-N 1 1 330.388 0.521 20 30 ECEDMO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C(N)=O)[C@H]2C)cc1C#N ZINC000993744881 769549786 /nfs/dbraw/zinc/54/97/86/769549786.db2.gz LHQLUQNDXGOMCQ-BXUZGUMPSA-N 1 1 330.388 0.521 20 30 ECEDMO CCCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078360314 782772551 /nfs/dbraw/zinc/77/25/51/782772551.db2.gz QBQZFARCWDHWQE-HIFRSBDPSA-N 1 1 348.451 0.863 20 30 ECEDMO Cn1c(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nnc1C1CC1 ZINC001018682721 769756821 /nfs/dbraw/zinc/75/68/21/769756821.db2.gz RPQGEUWRCMEIIE-ZDUSSCGKSA-N 1 1 339.403 0.897 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)c[nH]1 ZINC001018737705 769829928 /nfs/dbraw/zinc/82/99/28/769829928.db2.gz FZKZFBJUBHCTPN-NSHDSACASA-N 1 1 349.345 0.747 20 30 ECEDMO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001055824010 769859772 /nfs/dbraw/zinc/85/97/72/769859772.db2.gz NJDATCHKANNYQK-QGZVFWFLSA-N 1 1 325.453 0.764 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccncc3C#N)CC2)C1 ZINC001055825099 769864108 /nfs/dbraw/zinc/86/41/08/769864108.db2.gz YRWNFOMZPABQOU-MRXNPFEDSA-N 1 1 329.404 0.323 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccncc3C#N)CC2)C1 ZINC001055825099 769864120 /nfs/dbraw/zinc/86/41/20/769864120.db2.gz YRWNFOMZPABQOU-MRXNPFEDSA-N 1 1 329.404 0.323 20 30 ECEDMO C=C(C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055837541 769919602 /nfs/dbraw/zinc/91/96/02/769919602.db2.gz NMRXSKSXMKNVEV-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@@H]1C ZINC000994010055 770004773 /nfs/dbraw/zinc/00/47/73/770004773.db2.gz RQHDFXNXXTVIBV-DZGCQCFKSA-N 1 1 341.415 0.937 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@H]1C ZINC000994089088 770117405 /nfs/dbraw/zinc/11/74/05/770117405.db2.gz DNPURKWTQWLTLX-TZMCWYRMSA-N 1 1 332.404 0.731 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001018880035 770177713 /nfs/dbraw/zinc/17/77/13/770177713.db2.gz MSIXFQGRMYNFHN-PMPSAXMXSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H]1C ZINC000994169204 770240783 /nfs/dbraw/zinc/24/07/83/770240783.db2.gz LHJHEJYDFFFGRH-STQMWFEESA-N 1 1 334.420 0.309 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H]1C ZINC000994169730 770242493 /nfs/dbraw/zinc/24/24/93/770242493.db2.gz BMMGSAOFRXCYCN-KBPBESRZSA-N 1 1 333.436 0.536 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001055933400 770271647 /nfs/dbraw/zinc/27/16/47/770271647.db2.gz OXKCZNGEOYMPLU-LPHOPBHVSA-N 1 1 349.475 0.600 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@](CO)(NC(=O)C#CC3CC3)C2)C1 ZINC001055939195 770294430 /nfs/dbraw/zinc/29/44/30/770294430.db2.gz UBIMTRRBXFBFDG-LPHOPBHVSA-N 1 1 347.459 0.211 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@@H]21 ZINC001042132049 782825341 /nfs/dbraw/zinc/82/53/41/782825341.db2.gz CNKXHLZIZIYKFT-NEPJUHHUSA-N 1 1 337.401 0.097 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001055953234 770345653 /nfs/dbraw/zinc/34/56/53/770345653.db2.gz ULOGTCSSWJFYOL-GOSISDBHSA-N 1 1 344.415 0.075 20 30 ECEDMO C=CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055955298 770357208 /nfs/dbraw/zinc/35/72/08/770357208.db2.gz ZELVJYNRHWKDLI-YJBOKZPZSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nc(C3CC3)no2)C1 ZINC001018985774 770484400 /nfs/dbraw/zinc/48/44/00/770484400.db2.gz FBSSRLFABRASBX-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nc(C3CC3)no2)C1 ZINC001018985774 770484406 /nfs/dbraw/zinc/48/44/06/770484406.db2.gz FBSSRLFABRASBX-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)CCOCCNc1nccnc1C#N ZINC001127411971 770513388 /nfs/dbraw/zinc/51/33/88/770513388.db2.gz RJXYETZAOQLSQG-UHFFFAOYSA-N 1 1 343.391 0.440 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]21 ZINC001042143648 782844706 /nfs/dbraw/zinc/84/47/06/782844706.db2.gz VPLUWOZERNFLPE-KGLIPLIRSA-N 1 1 332.404 0.448 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CN1CC(=O)N(C)C1=O ZINC001099302575 770536382 /nfs/dbraw/zinc/53/63/82/770536382.db2.gz CADLCDYMPQZRFY-CQSZACIVSA-N 1 1 348.447 0.511 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001056011409 770544600 /nfs/dbraw/zinc/54/46/00/770544600.db2.gz LIHHSYBYMXHWHE-KRWDZBQOSA-N 1 1 334.420 0.627 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CCN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001019010091 770560883 /nfs/dbraw/zinc/56/08/83/770560883.db2.gz DCRATDDEXOEQOF-FQEVSTJZSA-N 1 1 341.455 0.947 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001019011722 770564244 /nfs/dbraw/zinc/56/42/44/770564244.db2.gz VHUZMYLYVHORGO-MRXNPFEDSA-N 1 1 345.443 0.181 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001019011722 770564252 /nfs/dbraw/zinc/56/42/52/770564252.db2.gz VHUZMYLYVHORGO-MRXNPFEDSA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cncc(Cl)n2)CC1 ZINC001056067673 770733793 /nfs/dbraw/zinc/73/37/93/770733793.db2.gz REAWJGZNYXYLET-ZDUSSCGKSA-N 1 1 333.823 0.876 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cncc(Cl)n2)CC1 ZINC001056067673 770733796 /nfs/dbraw/zinc/73/37/96/770733796.db2.gz REAWJGZNYXYLET-ZDUSSCGKSA-N 1 1 333.823 0.876 20 30 ECEDMO Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)[nH]1 ZINC001078397701 782867279 /nfs/dbraw/zinc/86/72/79/782867279.db2.gz CXTZYVXPFRYPBS-SWLSCSKDSA-N 1 1 331.420 0.795 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)s1 ZINC001078397889 782869070 /nfs/dbraw/zinc/86/90/70/782869070.db2.gz GSAUKECZQWJSAQ-CQSZACIVSA-N 1 1 334.445 0.967 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)C[C@@H]21 ZINC001042159767 782872550 /nfs/dbraw/zinc/87/25/50/782872550.db2.gz HCLKBDUGFNFZCC-CJNGLKHVSA-N 1 1 339.399 0.501 20 30 ECEDMO C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2)C1CCC1 ZINC001019121982 770859007 /nfs/dbraw/zinc/85/90/07/770859007.db2.gz RWEPFCCQSZCNOG-UHFFFAOYSA-N 1 1 329.444 0.945 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001056124239 770881600 /nfs/dbraw/zinc/88/16/00/770881600.db2.gz KWZUOIZPBCANOB-VQIMIIECSA-N 1 1 349.475 0.600 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@]2(CO)CCCN(C(=O)C#CC3CC3)C2)C1 ZINC001056127904 770891403 /nfs/dbraw/zinc/89/14/03/770891403.db2.gz IQDTVBYVTKAEQU-KXBFYZLASA-N 1 1 347.459 0.211 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC(C)(C)C1 ZINC001089391502 771026011 /nfs/dbraw/zinc/02/60/11/771026011.db2.gz MNUSUBBYLKZWNC-ZDUSSCGKSA-N 1 1 348.451 0.560 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)C[C@@H]21 ZINC001042173301 782889882 /nfs/dbraw/zinc/88/98/82/782889882.db2.gz NTXXAMWVWVEWIK-CABCVRRESA-N 1 1 339.399 0.052 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC(C)(C)C1 ZINC001089409507 771087934 /nfs/dbraw/zinc/08/79/34/771087934.db2.gz UIELSMMRHGTGGU-OLZOCXBDSA-N 1 1 334.420 0.215 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1C ZINC001056313349 771109799 /nfs/dbraw/zinc/10/97/99/771109799.db2.gz ACCNPIOAXCACKS-HOTGVXAUSA-N 1 1 346.431 0.986 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC(C)(C)C1 ZINC001089422976 771120113 /nfs/dbraw/zinc/12/01/13/771120113.db2.gz DKXLEFSDXLKXEW-OAHLLOKOSA-N 1 1 334.464 0.000 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042182354 782903543 /nfs/dbraw/zinc/90/35/43/782903543.db2.gz DSORNAVMNCKPAG-CVEARBPZSA-N 1 1 334.464 0.307 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)C1 ZINC001019364319 771207305 /nfs/dbraw/zinc/20/73/05/771207305.db2.gz CEEPWBQAKWAKNG-HUUCEWRRSA-N 1 1 348.447 0.316 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)C1 ZINC001019364319 771207309 /nfs/dbraw/zinc/20/73/09/771207309.db2.gz CEEPWBQAKWAKNG-HUUCEWRRSA-N 1 1 348.447 0.316 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001042184770 782905678 /nfs/dbraw/zinc/90/56/78/782905678.db2.gz ZGDNSBRZKYATAC-UONOGXRCSA-N 1 1 348.447 0.673 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001056414485 771247219 /nfs/dbraw/zinc/24/72/19/771247219.db2.gz ZDOJLAGYHIGMEI-JKSUJKDBSA-N 1 1 346.431 0.986 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCOCCNc1nccnc1C#N ZINC001127473073 771302446 /nfs/dbraw/zinc/30/24/46/771302446.db2.gz ZKDSQXSJSKVMKZ-KBPBESRZSA-N 1 1 346.435 0.433 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001056558593 771379854 /nfs/dbraw/zinc/37/98/54/771379854.db2.gz CEXBZFHLCDRDSG-ZACQAIPSSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001056559053 771380736 /nfs/dbraw/zinc/38/07/36/771380736.db2.gz ISRXKHSCKXGTOE-IAGOWNOFSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC(C)(C)C1 ZINC001089514679 771381575 /nfs/dbraw/zinc/38/15/75/771381575.db2.gz OJPISUIITNQPDI-KGLIPLIRSA-N 1 1 341.477 0.260 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCCO1 ZINC001089543225 771434146 /nfs/dbraw/zinc/43/41/46/771434146.db2.gz IAEBLKNSRJSTDV-HNNXBMFYSA-N 1 1 346.435 0.400 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001056630813 771449540 /nfs/dbraw/zinc/44/95/40/771449540.db2.gz SPRWZQUARDSRRT-YESZJQIVSA-N 1 1 349.475 0.980 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2nccnc2C#N)CCCO1 ZINC001089549573 771453910 /nfs/dbraw/zinc/45/39/10/771453910.db2.gz WYHFYWRYLBXSNF-AWEZNQCLSA-N 1 1 346.435 0.402 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC(C)(C)C1 ZINC001089552119 771465050 /nfs/dbraw/zinc/46/50/50/771465050.db2.gz MBGUVALBGGGNJZ-OAHLLOKOSA-N 1 1 347.463 0.520 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC(C)(C)C1 ZINC001089554766 771466811 /nfs/dbraw/zinc/46/68/11/771466811.db2.gz ZHHYXDCEPWSFQK-CQSZACIVSA-N 1 1 348.447 0.511 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056702939 771533388 /nfs/dbraw/zinc/53/33/88/771533388.db2.gz FYCOMZWJZSUPOE-KGLIPLIRSA-N 1 1 328.420 0.656 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)C2CCN(C(=O)C(C)C)CC2)C1=O ZINC001089571913 771538297 /nfs/dbraw/zinc/53/82/97/771538297.db2.gz IZDGKMPSZDGNAA-INIZCTEOSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccnn3CC)C2)C1=O ZINC001031632835 771545664 /nfs/dbraw/zinc/54/56/64/771545664.db2.gz ILKJTNWKOPXIOH-OAHLLOKOSA-N 1 1 331.420 0.352 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001056720029 771552847 /nfs/dbraw/zinc/55/28/47/771552847.db2.gz SJOFACKMZULRQO-YESZJQIVSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(C)sn3)C2)C1=O ZINC001031639001 771561249 /nfs/dbraw/zinc/56/12/49/771561249.db2.gz PWWKQJOWIQBUDI-AWEZNQCLSA-N 1 1 334.445 0.900 20 30 ECEDMO CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246578 771573603 /nfs/dbraw/zinc/57/36/03/771573603.db2.gz WAATZCRXIFOSGV-JHJVBQTASA-N 1 1 334.338 0.529 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246578 771573605 /nfs/dbraw/zinc/57/36/05/771573605.db2.gz WAATZCRXIFOSGV-JHJVBQTASA-N 1 1 334.338 0.529 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001019617149 771603633 /nfs/dbraw/zinc/60/36/33/771603633.db2.gz OUEBYMPAMDEZCY-IAGOWNOFSA-N 1 1 347.459 0.618 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 ZINC001056927068 771816684 /nfs/dbraw/zinc/81/66/84/771816684.db2.gz WDZDBZXUWMSDFU-CQSZACIVSA-N 1 1 325.376 0.591 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3nccnc3C#N)C2)C1 ZINC001056930763 771822471 /nfs/dbraw/zinc/82/24/71/771822471.db2.gz UCWLYHMYGXMDAK-UKRRQHHQSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3nccnc3C#N)C2)C1 ZINC001056930763 771822476 /nfs/dbraw/zinc/82/24/76/771822476.db2.gz UCWLYHMYGXMDAK-UKRRQHHQSA-N 1 1 344.419 0.106 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 ZINC001056989092 771915446 /nfs/dbraw/zinc/91/54/46/771915446.db2.gz GNTVAWUQRYZMGZ-AWEZNQCLSA-N 1 1 325.376 0.591 20 30 ECEDMO CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001057006194 771936747 /nfs/dbraw/zinc/93/67/47/771936747.db2.gz MWSYMQKKCBJQNC-CABCVRRESA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2nccc(OC)n2)C1 ZINC001057059879 772013447 /nfs/dbraw/zinc/01/34/47/772013447.db2.gz BCGBRCUONWWFDR-CABCVRRESA-N 1 1 343.431 0.620 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2nccc(OC)n2)C1 ZINC001057059879 772013454 /nfs/dbraw/zinc/01/34/54/772013454.db2.gz BCGBRCUONWWFDR-CABCVRRESA-N 1 1 343.431 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057060307 772014351 /nfs/dbraw/zinc/01/43/51/772014351.db2.gz IIICNPDXZUZQPS-HOTGVXAUSA-N 1 1 338.415 0.483 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057060307 772014358 /nfs/dbraw/zinc/01/43/58/772014358.db2.gz IIICNPDXZUZQPS-HOTGVXAUSA-N 1 1 338.415 0.483 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3ncccc3C#N)C2)O1 ZINC001057061774 772017299 /nfs/dbraw/zinc/01/72/99/772017299.db2.gz DYBIQURLUBPKRR-VNQPRFMTSA-N 1 1 343.431 0.709 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)c3ncccc3C#N)C2)O1 ZINC001057061774 772017303 /nfs/dbraw/zinc/01/73/03/772017303.db2.gz DYBIQURLUBPKRR-VNQPRFMTSA-N 1 1 343.431 0.709 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057115136 772108555 /nfs/dbraw/zinc/10/85/55/772108555.db2.gz CAOVTMJYNPPGJE-MRXNPFEDSA-N 1 1 329.404 0.323 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057115136 772108558 /nfs/dbraw/zinc/10/85/58/772108558.db2.gz CAOVTMJYNPPGJE-MRXNPFEDSA-N 1 1 329.404 0.323 20 30 ECEDMO N#Cc1cccnc1N1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001057155885 772183896 /nfs/dbraw/zinc/18/38/96/772183896.db2.gz AGAYNCDGQZRGAK-UHFFFAOYSA-N 1 1 343.431 0.714 20 30 ECEDMO N#Cc1cnccc1N1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001057156214 772184576 /nfs/dbraw/zinc/18/45/76/772184576.db2.gz SVUOZVSYHXDOIO-UHFFFAOYSA-N 1 1 343.431 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ocnc2C)[C@H]1C ZINC001020154138 772224418 /nfs/dbraw/zinc/22/44/18/772224418.db2.gz JVVDWCHWQGKFEZ-KKUMJFAQSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ocnc2C)[C@H]1C ZINC001020154138 772224420 /nfs/dbraw/zinc/22/44/20/772224420.db2.gz JVVDWCHWQGKFEZ-KKUMJFAQSA-N 1 1 344.415 0.800 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057234902 772319263 /nfs/dbraw/zinc/31/92/63/772319263.db2.gz UKCTXZGMSGQPAI-KGLIPLIRSA-N 1 1 328.420 0.585 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1C ZINC001020248218 772347341 /nfs/dbraw/zinc/34/73/41/772347341.db2.gz PFYNHBMGBWVHCA-JYJNAYRXSA-N 1 1 347.459 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1C ZINC001020248218 772347345 /nfs/dbraw/zinc/34/73/45/772347345.db2.gz PFYNHBMGBWVHCA-JYJNAYRXSA-N 1 1 347.459 0.495 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H](C)c2nc(C)no2)C1 ZINC001020251362 772352741 /nfs/dbraw/zinc/35/27/41/772352741.db2.gz IJUYLWDDYYTXHK-NGFQHRJXSA-N 1 1 331.420 0.773 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H](C)c2nc(C)no2)C1 ZINC001020251362 772352745 /nfs/dbraw/zinc/35/27/45/772352745.db2.gz IJUYLWDDYYTXHK-NGFQHRJXSA-N 1 1 331.420 0.773 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)cn1 ZINC001020272297 772382558 /nfs/dbraw/zinc/38/25/58/772382558.db2.gz FRLKXRFKECHEJN-LXZKKBNFSA-N 1 1 340.427 0.734 20 30 ECEDMO N#Cc1cncc(NC2CCN(C(=O)CC[NH+]3CCOCC3)CC2)n1 ZINC001057345559 772494027 /nfs/dbraw/zinc/49/40/27/772494027.db2.gz GIUIQPHCZFERFB-UHFFFAOYSA-N 1 1 344.419 0.473 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 ZINC001057392405 772561080 /nfs/dbraw/zinc/56/10/80/772561080.db2.gz KJEILINYNOYYQL-UHFFFAOYSA-N 1 1 325.376 0.956 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(Nc2cncc(C#N)n2)CC1 ZINC001057427422 772602743 /nfs/dbraw/zinc/60/27/43/772602743.db2.gz VPERCTJYENHHPD-WFASDCNBSA-N 1 1 328.420 0.949 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(Nc2cncc(C#N)n2)CC1 ZINC001057427419 772602911 /nfs/dbraw/zinc/60/29/11/772602911.db2.gz VPERCTJYENHHPD-SWLSCSKDSA-N 1 1 328.420 0.949 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 ZINC001057449015 772628561 /nfs/dbraw/zinc/62/85/61/772628561.db2.gz QPWJBMPKYKYNDQ-INIZCTEOSA-N 1 1 338.415 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 ZINC001057449015 772628565 /nfs/dbraw/zinc/62/85/65/772628565.db2.gz QPWJBMPKYKYNDQ-INIZCTEOSA-N 1 1 338.415 0.849 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057449051 772628575 /nfs/dbraw/zinc/62/85/75/772628575.db2.gz UICKAEOEQLDHCQ-HNNXBMFYSA-N 1 1 338.415 0.271 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057449051 772628579 /nfs/dbraw/zinc/62/85/79/772628579.db2.gz UICKAEOEQLDHCQ-HNNXBMFYSA-N 1 1 338.415 0.271 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(Nc3ccncc3C#N)CC2)O1 ZINC001057452590 772634619 /nfs/dbraw/zinc/63/46/19/772634619.db2.gz QSHKEFYEYXCYRF-CXAGYDPISA-N 1 1 343.431 0.497 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(Nc3ccncc3C#N)CC2)O1 ZINC001057452590 772634621 /nfs/dbraw/zinc/63/46/21/772634621.db2.gz QSHKEFYEYXCYRF-CXAGYDPISA-N 1 1 343.431 0.497 20 30 ECEDMO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057525438 772718224 /nfs/dbraw/zinc/71/82/24/772718224.db2.gz TUDGNEJXBYKDHT-IAGOWNOFSA-N 1 1 349.475 0.600 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057538230 772733889 /nfs/dbraw/zinc/73/38/89/772733889.db2.gz YIKLMCKFNLBEGR-MRXNPFEDSA-N 1 1 335.448 0.211 20 30 ECEDMO N#Cc1ccc(N[C@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)nn1 ZINC001057668058 772891094 /nfs/dbraw/zinc/89/10/94/772891094.db2.gz OCHSNECLIBJIEI-HNNXBMFYSA-N 1 1 344.419 0.473 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057736701 772953631 /nfs/dbraw/zinc/95/36/31/772953631.db2.gz VSPFAIDLVVSVPR-KBPBESRZSA-N 1 1 328.420 0.657 20 30 ECEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N ZINC001057742360 772959259 /nfs/dbraw/zinc/95/92/59/772959259.db2.gz AOBWUADAHZMBME-KGLIPLIRSA-N 1 1 349.435 0.493 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057791328 772986820 /nfs/dbraw/zinc/98/68/20/772986820.db2.gz IWTWGNNOHLEKDS-AWEZNQCLSA-N 1 1 328.420 0.633 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(c2cncc(C#N)n2)CC1 ZINC001057812217 773015095 /nfs/dbraw/zinc/01/50/95/773015095.db2.gz YFUSBPDHIPPNOA-BBRMVZONSA-N 1 1 342.447 0.879 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001057866528 773097894 /nfs/dbraw/zinc/09/78/94/773097894.db2.gz UBQIFESTYQSNTD-ZBFHGGJFSA-N 1 1 346.431 0.386 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057885080 773130645 /nfs/dbraw/zinc/13/06/45/773130645.db2.gz CIQNUVGOCVSFLO-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)C(C)(C)[N@H+](C)CC ZINC001057942678 773236144 /nfs/dbraw/zinc/23/61/44/773236144.db2.gz PODGDBRYGJLEGQ-UHFFFAOYSA-N 1 1 339.480 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C(C)=C\CC ZINC001057961012 773290058 /nfs/dbraw/zinc/29/00/58/773290058.db2.gz FUPHPZBYJSRDNH-UJPCXNRSSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C(C)=C\CC ZINC001057961012 773290061 /nfs/dbraw/zinc/29/00/61/773290061.db2.gz FUPHPZBYJSRDNH-UJPCXNRSSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1occc1C ZINC001057961314 773291512 /nfs/dbraw/zinc/29/15/12/773291512.db2.gz RFJGHMAFGMGTOW-HNNXBMFYSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1occc1C ZINC001057961314 773291519 /nfs/dbraw/zinc/29/15/19/773291519.db2.gz RFJGHMAFGMGTOW-HNNXBMFYSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cocc1C ZINC001057962171 773294423 /nfs/dbraw/zinc/29/44/23/773294423.db2.gz LCUASXGXRFABEL-INIZCTEOSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cocc1C ZINC001057962171 773294427 /nfs/dbraw/zinc/29/44/27/773294427.db2.gz LCUASXGXRFABEL-INIZCTEOSA-N 1 1 347.415 0.236 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(CC)CC1 ZINC001057962453 773295409 /nfs/dbraw/zinc/29/54/09/773295409.db2.gz XAQSALIKEUMHSA-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(CC)CC1 ZINC001057962453 773295414 /nfs/dbraw/zinc/29/54/14/773295414.db2.gz XAQSALIKEUMHSA-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCN(c2ccc(C#N)cn2)CC1 ZINC001058043396 773416825 /nfs/dbraw/zinc/41/68/25/773416825.db2.gz MNBBNNKDDHMZAY-INIZCTEOSA-N 1 1 343.431 0.711 20 30 ECEDMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCN(c2ccc(C#N)cn2)CC1 ZINC001058043396 773416827 /nfs/dbraw/zinc/41/68/27/773416827.db2.gz MNBBNNKDDHMZAY-INIZCTEOSA-N 1 1 343.431 0.711 20 30 ECEDMO C=CCCC(=O)NCCN(CCO)C(=O)CCCn1cc[nH+]c1C ZINC001058096995 773531130 /nfs/dbraw/zinc/53/11/30/773531130.db2.gz ZVHNNXSVONULOJ-UHFFFAOYSA-N 1 1 336.436 0.875 20 30 ECEDMO Cc1cc(N2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058134439 773604633 /nfs/dbraw/zinc/60/46/33/773604633.db2.gz FAQGQEPDNXALEP-DOTOQJQBSA-N 1 1 343.431 0.677 20 30 ECEDMO Cc1cc(N2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058134439 773604635 /nfs/dbraw/zinc/60/46/35/773604635.db2.gz FAQGQEPDNXALEP-DOTOQJQBSA-N 1 1 343.431 0.677 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C)C1 ZINC001058157846 773658359 /nfs/dbraw/zinc/65/83/59/773658359.db2.gz JBIDGQWKDQABET-OAHLLOKOSA-N 1 1 337.464 0.315 20 30 ECEDMO CCc1nc(C#N)cc(N2CCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001058165410 773678501 /nfs/dbraw/zinc/67/85/01/773678501.db2.gz BOJGRQHIVLLRMH-KBPBESRZSA-N 1 1 342.447 0.947 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058176721 773706561 /nfs/dbraw/zinc/70/65/61/773706561.db2.gz FKUSWMGNOYTQDC-ZIAGYGMSSA-N 1 1 328.420 0.775 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC001058211371 773781814 /nfs/dbraw/zinc/78/18/14/773781814.db2.gz AJSGEUWHKOGVIV-CYBMUJFWSA-N 1 1 325.376 0.638 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)CC[N@H+]1C ZINC001058257857 773859475 /nfs/dbraw/zinc/85/94/75/773859475.db2.gz HJPLAIZDROGXGZ-MGPQQGTHSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccc(C)n2)C1 ZINC001058263965 773875855 /nfs/dbraw/zinc/87/58/55/773875855.db2.gz GQKYTNOPXYQJEB-CVEARBPZSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccc(C)n2)C1 ZINC001058263965 773875860 /nfs/dbraw/zinc/87/58/60/773875860.db2.gz GQKYTNOPXYQJEB-CVEARBPZSA-N 1 1 327.432 0.968 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001058303931 773938146 /nfs/dbraw/zinc/93/81/46/773938146.db2.gz OMNBSWMJLKHHCX-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058306086 773942545 /nfs/dbraw/zinc/94/25/45/773942545.db2.gz UJINHNORHKWWHN-ZIAGYGMSSA-N 1 1 325.453 0.476 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058317127 773961364 /nfs/dbraw/zinc/96/13/64/773961364.db2.gz PBRQSLCBOIIYLT-JSGCOSHPSA-N 1 1 333.367 0.118 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3F)C2)C1 ZINC001058317127 773961368 /nfs/dbraw/zinc/96/13/68/773961368.db2.gz PBRQSLCBOIIYLT-JSGCOSHPSA-N 1 1 333.367 0.118 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058376554 774060614 /nfs/dbraw/zinc/06/06/14/774060614.db2.gz PWNUGSAZJCTQEM-GDBMZVCRSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058376554 774060621 /nfs/dbraw/zinc/06/06/21/774060621.db2.gz PWNUGSAZJCTQEM-GDBMZVCRSA-N 1 1 329.404 0.369 20 30 ECEDMO C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001039819589 783149368 /nfs/dbraw/zinc/14/93/68/783149368.db2.gz SXBUNLVXLFHEJZ-GOSISDBHSA-N 1 1 348.447 0.873 20 30 ECEDMO C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001058435000 774173825 /nfs/dbraw/zinc/17/38/25/774173825.db2.gz BZKNITUENRYULV-LSDHHAIUSA-N 1 1 327.469 0.724 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(C1)CC[NH+](CCS(C)(=O)=O)CC2 ZINC001040643688 783166036 /nfs/dbraw/zinc/16/60/36/783166036.db2.gz KIRZXUNIYDAIJN-ZDUSSCGKSA-N 1 1 327.450 0.505 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058521647 774354171 /nfs/dbraw/zinc/35/41/71/774354171.db2.gz QJHLETGVOYVDHJ-RDJZCZTQSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)C1 ZINC001058521647 774354181 /nfs/dbraw/zinc/35/41/81/774354181.db2.gz QJHLETGVOYVDHJ-RDJZCZTQSA-N 1 1 343.431 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)nc(CO)n2)C1 ZINC001058589956 774492123 /nfs/dbraw/zinc/49/21/23/774492123.db2.gz QNYNYRNKRPXQJR-GJZGRUSLSA-N 1 1 343.431 0.070 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)nc(CO)n2)C1 ZINC001058589956 774492125 /nfs/dbraw/zinc/49/21/25/774492125.db2.gz QNYNYRNKRPXQJR-GJZGRUSLSA-N 1 1 343.431 0.070 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001045059995 774913159 /nfs/dbraw/zinc/91/31/59/774913159.db2.gz ZUJIRFSCDXFBRP-HUUCEWRRSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC[C@H](C)CC)C1 ZINC001045229167 775182727 /nfs/dbraw/zinc/18/27/27/775182727.db2.gz PKZMUQQJNOJJJE-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC[C@H](C)CC)C1 ZINC001045229167 775182737 /nfs/dbraw/zinc/18/27/37/775182737.db2.gz PKZMUQQJNOJJJE-CVEARBPZSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043909529 775284385 /nfs/dbraw/zinc/28/43/85/775284385.db2.gz JXBASJHMBQAZFN-JSGCOSHPSA-N 1 1 334.420 0.339 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044007916 775499801 /nfs/dbraw/zinc/49/98/01/775499801.db2.gz ZLCXRJJITYFHEZ-CABCVRRESA-N 1 1 337.464 0.620 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001045551897 775781103 /nfs/dbraw/zinc/78/11/03/775781103.db2.gz NPRKCQLIUBQJRS-UONOGXRCSA-N 1 1 336.436 0.098 20 30 ECEDMO C#CCOc1ccc(C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)cc1 ZINC001045581411 775830850 /nfs/dbraw/zinc/83/08/50/775830850.db2.gz VGCVLDMXJCXKKJ-UHFFFAOYSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(C)CC=CC2)C1 ZINC001045739541 776119463 /nfs/dbraw/zinc/11/94/63/776119463.db2.gz NHYBEISILOKCKI-HNNXBMFYSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(C)CC=CC2)C1 ZINC001045739541 776119475 /nfs/dbraw/zinc/11/94/75/776119475.db2.gz NHYBEISILOKCKI-HNNXBMFYSA-N 1 1 345.443 0.130 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)C#CC(C)(C)C)CCOCC1 ZINC001070042104 790427922 /nfs/dbraw/zinc/42/79/22/790427922.db2.gz XDVPAIZWHUWYBR-HNNXBMFYSA-N 1 1 349.475 0.912 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001044386479 776261037 /nfs/dbraw/zinc/26/10/37/776261037.db2.gz TVGCBZMNDHYESC-PMPSAXMXSA-N 1 1 329.404 0.103 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2nccc2C)[C@@H](n2ccnn2)C1 ZINC001070043750 790432584 /nfs/dbraw/zinc/43/25/84/790432584.db2.gz GYBANJLWGZNQFO-CVEARBPZSA-N 1 1 343.435 0.791 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001044459850 776320599 /nfs/dbraw/zinc/32/05/99/776320599.db2.gz DTSQQRCGUYRCQU-HUUCEWRRSA-N 1 1 349.475 0.763 20 30 ECEDMO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001044459830 776320605 /nfs/dbraw/zinc/32/06/05/776320605.db2.gz DLASMEXPJXXBHC-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001070046846 790442046 /nfs/dbraw/zinc/44/20/46/790442046.db2.gz RSXGYUKSZDWZID-CABCVRRESA-N 1 1 329.408 0.726 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001070046846 790442051 /nfs/dbraw/zinc/44/20/51/790442051.db2.gz RSXGYUKSZDWZID-CABCVRRESA-N 1 1 329.408 0.726 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC)C[C@@H]2n2ccnn2)cc1 ZINC001070047987 790446565 /nfs/dbraw/zinc/44/65/65/790446565.db2.gz SLDKXCZRRPVYOE-SJORKVTESA-N 1 1 339.399 0.965 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079686804 776685967 /nfs/dbraw/zinc/68/59/67/776685967.db2.gz KSUJCYWAUHCSDC-YJBOKZPZSA-N 1 1 337.464 0.857 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001079689358 776690569 /nfs/dbraw/zinc/69/05/69/776690569.db2.gz BAJKCTFIGBLNSN-QGZVFWFLSA-N 1 1 334.420 0.578 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001079774332 776844394 /nfs/dbraw/zinc/84/43/94/776844394.db2.gz AYLDBTBOUHZMKW-HOTGVXAUSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001079776457 776851671 /nfs/dbraw/zinc/85/16/71/776851671.db2.gz GXHUNPVQLLCZAT-GJZGRUSLSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001079776945 776852778 /nfs/dbraw/zinc/85/27/78/776852778.db2.gz PIQOOJYRELQJHL-CQSZACIVSA-N 1 1 332.404 0.289 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccn(CC)n2)C[C@H]1C ZINC001079878060 777011079 /nfs/dbraw/zinc/01/10/79/777011079.db2.gz DNLDVJDHWKBLGT-NXHRZFHOSA-N 1 1 343.475 0.937 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccn(CC)n2)C[C@H]1C ZINC001079878060 777011087 /nfs/dbraw/zinc/01/10/87/777011087.db2.gz DNLDVJDHWKBLGT-NXHRZFHOSA-N 1 1 343.475 0.937 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)O2 ZINC001068538912 790514250 /nfs/dbraw/zinc/51/42/50/790514250.db2.gz BLNWVVOGQKTXAE-HZPDHXFCSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001079978053 777183234 /nfs/dbraw/zinc/18/32/34/777183234.db2.gz CPTQZVIWSZVOIV-HOCLYGCPSA-N 1 1 337.464 0.836 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCOC(C)C)C1 ZINC001080009077 777220854 /nfs/dbraw/zinc/22/08/54/777220854.db2.gz PCAJZFJALIUCHX-KRWDZBQOSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCOC(C)C)C1 ZINC001080009077 777220862 /nfs/dbraw/zinc/22/08/62/777220862.db2.gz PCAJZFJALIUCHX-KRWDZBQOSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080014392 777232390 /nfs/dbraw/zinc/23/23/90/777232390.db2.gz SUYCZFFRTPNRSQ-GDBMZVCRSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080014392 777232395 /nfs/dbraw/zinc/23/23/95/777232395.db2.gz SUYCZFFRTPNRSQ-GDBMZVCRSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1n1ccnn1 ZINC001070078601 790529482 /nfs/dbraw/zinc/52/94/82/790529482.db2.gz HJXGUTHYOGDEDU-CABCVRRESA-N 1 1 340.387 0.360 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1n1ccnn1 ZINC001070078601 790529487 /nfs/dbraw/zinc/52/94/87/790529487.db2.gz HJXGUTHYOGDEDU-CABCVRRESA-N 1 1 340.387 0.360 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C2(COC)CC2)C1 ZINC001080089831 777368638 /nfs/dbraw/zinc/36/86/38/777368638.db2.gz ITEFJCOIOQLPKI-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C2(COC)CC2)C1 ZINC001080089831 777368642 /nfs/dbraw/zinc/36/86/42/777368642.db2.gz ITEFJCOIOQLPKI-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001080107743 777402512 /nfs/dbraw/zinc/40/25/12/777402512.db2.gz RQCATAOTRWCKJM-CVEARBPZSA-N 1 1 346.431 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](CCC)OC)C1 ZINC001080210827 777562954 /nfs/dbraw/zinc/56/29/54/777562954.db2.gz UVKICBRXDIXABS-IRXDYDNUSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](CCC)OC)C1 ZINC001080210827 777562962 /nfs/dbraw/zinc/56/29/62/777562962.db2.gz UVKICBRXDIXABS-IRXDYDNUSA-N 1 1 349.475 0.958 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360878 777749557 /nfs/dbraw/zinc/74/95/57/777749557.db2.gz MCNWMINSRALFPQ-KCPJHIHWSA-N 1 1 327.388 0.176 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360878 777749561 /nfs/dbraw/zinc/74/95/61/777749561.db2.gz MCNWMINSRALFPQ-KCPJHIHWSA-N 1 1 327.388 0.176 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080421804 777830969 /nfs/dbraw/zinc/83/09/69/777830969.db2.gz QPESDTCYXPVKSL-ZFWWWQNUSA-N 1 1 336.436 0.315 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001043207004 777959202 /nfs/dbraw/zinc/95/92/02/777959202.db2.gz JAZYCBFATYVGOE-UHFFFAOYSA-N 1 1 334.420 0.483 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](n2ccnn2)C1 ZINC001070093819 790580152 /nfs/dbraw/zinc/58/01/52/790580152.db2.gz IQWWCVQNYQAIGJ-CABCVRRESA-N 1 1 342.403 0.058 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070092254 790575310 /nfs/dbraw/zinc/57/53/10/790575310.db2.gz SHNMJUBBSKSNCH-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068564969 790582186 /nfs/dbraw/zinc/58/21/86/790582186.db2.gz IRZYMPGUGDPEQS-IHRRRGAJSA-N 1 1 328.420 0.561 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001043235384 778025022 /nfs/dbraw/zinc/02/50/22/778025022.db2.gz OPOXGSFMRHZOAF-CVEARBPZSA-N 1 1 347.459 0.496 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cscn3)C2)C1=O ZINC001080565161 778051813 /nfs/dbraw/zinc/05/18/13/778051813.db2.gz VTKLOPKJOLDSCL-BPLDGKMQSA-N 1 1 348.472 0.909 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2C)nn1 ZINC001080580152 778086182 /nfs/dbraw/zinc/08/61/82/778086182.db2.gz LLIQKJDLVPBJAZ-UMVBOHGHSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2C)nn1 ZINC001080580152 778086194 /nfs/dbraw/zinc/08/61/94/778086194.db2.gz LLIQKJDLVPBJAZ-UMVBOHGHSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001080588356 778099098 /nfs/dbraw/zinc/09/90/98/778099098.db2.gz AGDJLHKVUYABTC-MRVWCRGKSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001080588356 778099107 /nfs/dbraw/zinc/09/91/07/778099107.db2.gz AGDJLHKVUYABTC-MRVWCRGKSA-N 1 1 331.420 0.555 20 30 ECEDMO CC(C)C#CC(=O)NC[C@H]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)O1 ZINC001068569210 790594775 /nfs/dbraw/zinc/59/47/75/790594775.db2.gz QVLIGJTXQNKKHS-MRXNPFEDSA-N 1 1 349.475 0.862 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3ncccc23)[C@@H](n2ccnn2)C1 ZINC001070099940 790603966 /nfs/dbraw/zinc/60/39/66/790603966.db2.gz WGTIFCRZDXPFSS-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c3ncccc23)[C@@H](n2ccnn2)C1 ZINC001070099940 790603973 /nfs/dbraw/zinc/60/39/73/790603973.db2.gz WGTIFCRZDXPFSS-CABCVRRESA-N 1 1 337.387 0.996 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001043413814 778288511 /nfs/dbraw/zinc/28/85/11/778288511.db2.gz FPZIDAFWHNASQQ-GASCZTMLSA-N 1 1 349.475 0.905 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001043433755 778325850 /nfs/dbraw/zinc/32/58/50/778325850.db2.gz XDSLGBGRYDLKNV-HNNXBMFYSA-N 1 1 349.475 0.907 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001043434226 778328279 /nfs/dbraw/zinc/32/82/79/778328279.db2.gz ZVGZSQQXPXAEHD-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001043464751 778380540 /nfs/dbraw/zinc/38/05/40/778380540.db2.gz YQGKUMJCTWGPSD-UKRRQHHQSA-N 1 1 348.447 0.243 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001043531331 778480082 /nfs/dbraw/zinc/48/00/82/778480082.db2.gz QQQKRQNSNAZZDA-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043609076 778586001 /nfs/dbraw/zinc/58/60/01/778586001.db2.gz PNUVLDNOYCNYMR-MGPQQGTHSA-N 1 1 328.420 0.513 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111511 790641001 /nfs/dbraw/zinc/64/10/01/790641001.db2.gz MMENHTJIBSKVKL-IMJJTQAJSA-N 1 1 333.436 0.868 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111511 790641003 /nfs/dbraw/zinc/64/10/03/790641003.db2.gz MMENHTJIBSKVKL-IMJJTQAJSA-N 1 1 333.436 0.868 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]32)C1 ZINC001043726298 778781014 /nfs/dbraw/zinc/78/10/14/778781014.db2.gz FVVOJRKCJTZMSC-XOKHGSTOSA-N 1 1 341.415 0.321 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068591854 790655577 /nfs/dbraw/zinc/65/55/77/790655577.db2.gz SXMRLUTXVTVXDI-MGPQQGTHSA-N 1 1 328.420 0.561 20 30 ECEDMO CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H](n2ccnn2)C1 ZINC001070114684 790654426 /nfs/dbraw/zinc/65/44/26/790654426.db2.gz ASAQGLLYONLBNT-CVEARBPZSA-N 1 1 328.351 0.850 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043773107 778849326 /nfs/dbraw/zinc/84/93/26/778849326.db2.gz KFKRZGXOMOHUEK-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)C#CC3CC3)CCOCC2)C1 ZINC001070122164 790683166 /nfs/dbraw/zinc/68/31/66/790683166.db2.gz OIIHNTSJRWSIOY-HNNXBMFYSA-N 1 1 333.432 0.133 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068610145 790701052 /nfs/dbraw/zinc/70/10/52/790701052.db2.gz BYOSWUYJKRGNCL-RBSFLKMASA-N 1 1 342.447 0.951 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nn3)C2)O1 ZINC001068615762 790716584 /nfs/dbraw/zinc/71/65/84/790716584.db2.gz YTYHPBLJWAVNLH-QHSBEEBCSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nn3)C2)O1 ZINC001068615762 790716593 /nfs/dbraw/zinc/71/65/93/790716593.db2.gz YTYHPBLJWAVNLH-QHSBEEBCSA-N 1 1 344.419 0.374 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]21 ZINC001042283316 779982687 /nfs/dbraw/zinc/98/26/87/779982687.db2.gz JMURNYPLCXFTCD-UKRRQHHQSA-N 1 1 344.415 0.685 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21 ZINC001042285241 779988556 /nfs/dbraw/zinc/98/85/56/779988556.db2.gz MMDDRYZKYVTUNH-OCCSQVGLSA-N 1 1 332.404 0.848 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 ZINC001042301243 780021760 /nfs/dbraw/zinc/02/17/60/780021760.db2.gz FDMPRZNMJWGEKE-LSDHHAIUSA-N 1 1 348.447 0.817 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]21 ZINC001042309174 780045192 /nfs/dbraw/zinc/04/51/92/780045192.db2.gz AKLCROFVGJOWFV-TZMCWYRMSA-N 1 1 342.403 0.530 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(cn3)nc[nH]c4=O)C[C@H]21 ZINC001042325454 780075412 /nfs/dbraw/zinc/07/54/12/780075412.db2.gz FZMJUTOQTLPWQC-MLGOLLRUSA-N 1 1 337.383 0.900 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC)[C@@H]2C1 ZINC001042327090 780077160 /nfs/dbraw/zinc/07/71/60/780077160.db2.gz UZNKOBLXDKLPPY-SJLPKXTDSA-N 1 1 339.439 0.879 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001042345037 780108521 /nfs/dbraw/zinc/10/85/21/780108521.db2.gz HCECYEHWOHIJLY-KGLIPLIRSA-N 1 1 334.420 0.427 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001042348181 780113956 /nfs/dbraw/zinc/11/39/56/780113956.db2.gz GWCVWORAHPKLDU-STQMWFEESA-N 1 1 327.388 0.135 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@H]21 ZINC001042376182 780165371 /nfs/dbraw/zinc/16/53/71/780165371.db2.gz OURGLNBTZXULEM-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001042585220 780485701 /nfs/dbraw/zinc/48/57/01/780485701.db2.gz RMZSBWUHHUUYQG-RGCMKSIDSA-N 1 1 328.420 0.629 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@H]1C ZINC001042621038 780541447 /nfs/dbraw/zinc/54/14/47/780541447.db2.gz FSSWCBRLQRTNCI-BMFZPTHFSA-N 1 1 327.432 0.824 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@H]1C ZINC001042621038 780541456 /nfs/dbraw/zinc/54/14/56/780541456.db2.gz FSSWCBRLQRTNCI-BMFZPTHFSA-N 1 1 327.432 0.824 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001042664223 780608225 /nfs/dbraw/zinc/60/82/25/780608225.db2.gz QQWGPYBNOVETLH-UHFFFAOYSA-N 1 1 335.448 0.354 20 30 ECEDMO CN(C(=O)C#CC1CC1)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001078949926 780644416 /nfs/dbraw/zinc/64/44/16/780644416.db2.gz AIYHBGSEKUAZLA-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C(=O)C#CC1CC1)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001078949926 780644421 /nfs/dbraw/zinc/64/44/21/780644421.db2.gz AIYHBGSEKUAZLA-DLBZAZTESA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2cnco2)CC1 ZINC001079165836 780848028 /nfs/dbraw/zinc/84/80/28/780848028.db2.gz JEXDIDUVUHHDBZ-AWEZNQCLSA-N 1 1 347.419 0.879 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042939569 781070855 /nfs/dbraw/zinc/07/08/55/781070855.db2.gz BWOGSLKNYZKYLY-MRXNPFEDSA-N 1 1 349.475 0.598 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001042959809 781100807 /nfs/dbraw/zinc/10/08/07/781100807.db2.gz FDIIVPZAPWMCPY-ZFWWWQNUSA-N 1 1 344.463 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001042959809 781100810 /nfs/dbraw/zinc/10/08/10/781100810.db2.gz FDIIVPZAPWMCPY-ZFWWWQNUSA-N 1 1 344.463 0.668 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001079422451 781101713 /nfs/dbraw/zinc/10/17/13/781101713.db2.gz STAJBIMIFFVRJS-KFWWJZLASA-N 1 1 331.420 0.107 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cnc(C)cn2)C1 ZINC001042962791 781105727 /nfs/dbraw/zinc/10/57/27/781105727.db2.gz KXDHPLKJSPGEPV-KRWDZBQOSA-N 1 1 327.432 0.525 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cnc(C)cn2)C1 ZINC001042962791 781105729 /nfs/dbraw/zinc/10/57/29/781105729.db2.gz KXDHPLKJSPGEPV-KRWDZBQOSA-N 1 1 327.432 0.525 20 30 ECEDMO CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042977507 781127250 /nfs/dbraw/zinc/12/72/50/781127250.db2.gz LYHSPTSOYMHRFU-BPLDGKMQSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)c1[nH+]ccn1CCC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 ZINC001043011052 781177135 /nfs/dbraw/zinc/17/71/35/781177135.db2.gz WHCHTGIKWVVQOQ-ZDUSSCGKSA-N 1 1 347.419 0.246 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001043015908 781185682 /nfs/dbraw/zinc/18/56/82/781185682.db2.gz DCRISTOFBZVOCS-BRWVUGGUSA-N 1 1 343.431 0.757 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001043023765 781204293 /nfs/dbraw/zinc/20/42/93/781204293.db2.gz QEXAONCFUZPJAV-MRXNPFEDSA-N 1 1 349.475 0.598 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079540368 781241380 /nfs/dbraw/zinc/24/13/80/781241380.db2.gz SLKVFESOEOVHMG-OSAQELSMSA-N 1 1 339.403 0.715 20 30 ECEDMO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043060892 781258495 /nfs/dbraw/zinc/25/84/95/781258495.db2.gz XNSVZUJMGTWHLD-CVEARBPZSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043062335 781260386 /nfs/dbraw/zinc/26/03/86/781260386.db2.gz ZSSLKSKGOQWLIS-ZIAGYGMSSA-N 1 1 337.464 0.476 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001079576452 781281922 /nfs/dbraw/zinc/28/19/22/781281922.db2.gz POCKBWUNGDPZHQ-DJIMGWMZSA-N 1 1 342.443 0.848 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592741 781295165 /nfs/dbraw/zinc/29/51/65/781295165.db2.gz WMAMXJVHIOFKAO-IUODEOHRSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC001041380153 781395748 /nfs/dbraw/zinc/39/57/48/781395748.db2.gz WOJFSYJJCAWBLD-SFHVURJKSA-N 1 1 328.416 0.975 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C2)C1 ZINC001041409343 781449657 /nfs/dbraw/zinc/44/96/57/781449657.db2.gz PWQJJWOIAWMSOL-INIZCTEOSA-N 1 1 338.473 0.922 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(=O)n(CCOC)c3)C2)C1 ZINC001041436311 781510818 /nfs/dbraw/zinc/51/08/18/781510818.db2.gz DNMRMEWPEWBQGE-LJQANCHMSA-N 1 1 343.427 0.666 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041449993 781541502 /nfs/dbraw/zinc/54/15/02/781541502.db2.gz BSSBBWAJIGMPLP-HOCLYGCPSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041449993 781541507 /nfs/dbraw/zinc/54/15/07/781541507.db2.gz BSSBBWAJIGMPLP-HOCLYGCPSA-N 1 1 326.462 0.922 20 30 ECEDMO N#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041490151 781620174 /nfs/dbraw/zinc/62/01/74/781620174.db2.gz YEDSKGYAVCWEJI-HILOLKJVSA-N 1 1 330.432 0.298 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077741282 781630374 /nfs/dbraw/zinc/63/03/74/781630374.db2.gz YMVDLFFWKHUCRJ-BFHYXJOUSA-N 1 1 325.453 0.929 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077741282 781630377 /nfs/dbraw/zinc/63/03/77/781630377.db2.gz YMVDLFFWKHUCRJ-BFHYXJOUSA-N 1 1 325.453 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001077754695 781649012 /nfs/dbraw/zinc/64/90/12/781649012.db2.gz OJULMUMYCJKHGC-QZTJIDSGSA-N 1 1 325.412 0.861 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001077754695 781649016 /nfs/dbraw/zinc/64/90/16/781649016.db2.gz OJULMUMYCJKHGC-QZTJIDSGSA-N 1 1 325.412 0.861 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001077771122 781672247 /nfs/dbraw/zinc/67/22/47/781672247.db2.gz XMERUQOORGFTTP-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001077771122 781672252 /nfs/dbraw/zinc/67/22/52/781672252.db2.gz XMERUQOORGFTTP-HUUCEWRRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3nc4ccccn4c3=O)C2)C1 ZINC001041522434 781691256 /nfs/dbraw/zinc/69/12/56/781691256.db2.gz IPEMAALKUUNOBW-SFHVURJKSA-N 1 1 341.415 0.606 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001077786970 781692717 /nfs/dbraw/zinc/69/27/17/781692717.db2.gz BAMXIYUHCFEQIL-HZPDHXFCSA-N 1 1 331.416 0.303 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]2O)cc1 ZINC001077795634 781709738 /nfs/dbraw/zinc/70/97/38/781709738.db2.gz QATWDTNUJXIDQL-KBRIMQKVSA-N 1 1 332.400 0.508 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@H]2O)nn1 ZINC001077801369 781722399 /nfs/dbraw/zinc/72/23/99/781722399.db2.gz OUONUEUKTQTFPL-BMFZPTHFSA-N 1 1 349.435 0.054 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNc2ncccn2)C1 ZINC001041538794 781724724 /nfs/dbraw/zinc/72/47/24/781724724.db2.gz PAUWONGBUSSGJS-CVEARBPZSA-N 1 1 343.431 0.604 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](CNc2ncccn2)C1 ZINC001041538794 781724729 /nfs/dbraw/zinc/72/47/29/781724729.db2.gz PAUWONGBUSSGJS-CVEARBPZSA-N 1 1 343.431 0.604 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041541258 781733801 /nfs/dbraw/zinc/73/38/01/781733801.db2.gz VNAQIMVMXKNUKW-SFHVURJKSA-N 1 1 334.464 0.309 20 30 ECEDMO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077851045 781816764 /nfs/dbraw/zinc/81/67/64/781816764.db2.gz XEJUQCBOCDMJBE-HZPDHXFCSA-N 1 1 339.399 0.873 20 30 ECEDMO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077851045 781816776 /nfs/dbraw/zinc/81/67/76/781816776.db2.gz XEJUQCBOCDMJBE-HZPDHXFCSA-N 1 1 339.399 0.873 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001041598979 781826749 /nfs/dbraw/zinc/82/67/49/781826749.db2.gz DENZJAVKUBGXRV-HNAYVOBHSA-N 1 1 341.459 0.868 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)CCOC1 ZINC001077900630 781902365 /nfs/dbraw/zinc/90/23/65/781902365.db2.gz HNXDLYKOWLFVPZ-JFIYKMOQSA-N 1 1 329.400 0.646 20 30 ECEDMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)CCOC1 ZINC001077900630 781902373 /nfs/dbraw/zinc/90/23/73/781902373.db2.gz HNXDLYKOWLFVPZ-JFIYKMOQSA-N 1 1 329.400 0.646 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(c3ccc(C#N)nn3)CCCO2)C1 ZINC001039915364 783275513 /nfs/dbraw/zinc/27/55/13/783275513.db2.gz QEDQUSCTLRYROB-DZGCQCFKSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(c2ncccn2)CCCO1 ZINC001039928330 783305084 /nfs/dbraw/zinc/30/50/84/783305084.db2.gz DIBBRFRBZUKCCI-HOTGVXAUSA-N 1 1 343.431 0.286 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(c2ncccn2)CCCO1 ZINC001039928330 783305093 /nfs/dbraw/zinc/30/50/93/783305093.db2.gz DIBBRFRBZUKCCI-HOTGVXAUSA-N 1 1 343.431 0.286 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@@H](C)O)nn1 ZINC001039941816 783313519 /nfs/dbraw/zinc/31/35/19/783313519.db2.gz JHGIWABUDCOACH-KFWWJZLASA-N 1 1 333.436 0.914 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@@H](C)O)nn1 ZINC001039941816 783313529 /nfs/dbraw/zinc/31/35/29/783313529.db2.gz JHGIWABUDCOACH-KFWWJZLASA-N 1 1 333.436 0.914 20 30 ECEDMO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001040046856 783435513 /nfs/dbraw/zinc/43/55/13/783435513.db2.gz FRDFSHNMBMWUFH-QGZVFWFLSA-N 1 1 334.420 0.627 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001070172950 783592058 /nfs/dbraw/zinc/59/20/58/783592058.db2.gz VYIYQRYEXNEGSP-KBPBESRZSA-N 1 1 336.436 0.269 20 30 ECEDMO Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 ZINC001070192754 783626524 /nfs/dbraw/zinc/62/65/24/783626524.db2.gz NHDHWGHWMZXNGK-CVEARBPZSA-N 1 1 340.387 0.530 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCC#N)[C@@H](n3ccnn3)C2)C1 ZINC001070207684 783659093 /nfs/dbraw/zinc/65/90/93/783659093.db2.gz JGDQZRABTAYNIV-OAGGEKHMSA-N 1 1 345.451 0.121 20 30 ECEDMO C[C@H](C#N)C(=O)NC1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCOCC1 ZINC001070232018 783706527 /nfs/dbraw/zinc/70/65/27/783706527.db2.gz AINQURFGFNLGDV-KGLIPLIRSA-N 1 1 336.436 0.412 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCOCC1 ZINC001070254402 783749598 /nfs/dbraw/zinc/74/95/98/783749598.db2.gz JTDFBQOIASWEDA-HZPDHXFCSA-N 1 1 349.475 0.769 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1n1ccnn1 ZINC001070301308 783805274 /nfs/dbraw/zinc/80/52/74/783805274.db2.gz WBHBPQKGFLZKFM-OLZOCXBDSA-N 1 1 333.783 0.476 20 30 ECEDMO C=C(Br)CN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038137702 783905176 /nfs/dbraw/zinc/90/51/76/783905176.db2.gz QPPKUXQJFIZBOQ-NWDGAFQWSA-N 1 1 332.242 0.416 20 30 ECEDMO C=C(Br)CN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038137702 783905180 /nfs/dbraw/zinc/90/51/80/783905180.db2.gz QPPKUXQJFIZBOQ-NWDGAFQWSA-N 1 1 332.242 0.416 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccc(F)cc2)C1 ZINC001038138828 783906815 /nfs/dbraw/zinc/90/68/15/783906815.db2.gz YAUGHGBZCDACPI-ZWKOTPCHSA-N 1 1 345.418 0.698 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccc(F)cc2)C1 ZINC001038138828 783906821 /nfs/dbraw/zinc/90/68/21/783906821.db2.gz YAUGHGBZCDACPI-ZWKOTPCHSA-N 1 1 345.418 0.698 20 30 ECEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnn[nH]2)CC1 ZINC001070373868 783912424 /nfs/dbraw/zinc/91/24/24/783912424.db2.gz HRTKIARGKUSOIO-DOMZBBRYSA-N 1 1 332.408 0.080 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)C2=COCCO2)C1 ZINC001070384015 783923965 /nfs/dbraw/zinc/92/39/65/783923965.db2.gz YLQOBZQIVGCKTN-HNNXBMFYSA-N 1 1 343.383 0.672 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)C2=COCCO2)C1 ZINC001070384015 783923973 /nfs/dbraw/zinc/92/39/73/783923973.db2.gz YLQOBZQIVGCKTN-HNNXBMFYSA-N 1 1 343.383 0.672 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCNC(=O)C2)cc1 ZINC001038162444 783935364 /nfs/dbraw/zinc/93/53/64/783935364.db2.gz VPAOKIMBRXFNOT-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCNC(=O)C2)cc1 ZINC001038162444 783935371 /nfs/dbraw/zinc/93/53/71/783935371.db2.gz VPAOKIMBRXFNOT-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](c3n[nH]cc3CNC(C)=O)C2)C1=O ZINC001070390408 783941704 /nfs/dbraw/zinc/94/17/04/783941704.db2.gz SFBYTFQQUQZGFD-HIFRSBDPSA-N 1 1 331.420 0.622 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001038175214 783950651 /nfs/dbraw/zinc/95/06/51/783950651.db2.gz MXFVYYDBUYRRDQ-HNNXBMFYSA-N 1 1 327.392 0.599 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001038175214 783950658 /nfs/dbraw/zinc/95/06/58/783950658.db2.gz MXFVYYDBUYRRDQ-HNNXBMFYSA-N 1 1 327.392 0.599 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001070403049 783977021 /nfs/dbraw/zinc/97/70/21/783977021.db2.gz JDPFMMCSLCGUNW-UONOGXRCSA-N 1 1 345.447 0.918 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001070403443 783979457 /nfs/dbraw/zinc/97/94/57/783979457.db2.gz SUCXPPOISUTZFU-AAEUAGOBSA-N 1 1 342.403 0.710 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCCO)C2)c1 ZINC001070403637 783981299 /nfs/dbraw/zinc/98/12/99/783981299.db2.gz YGCUOIXLCFBMBM-CYBMUJFWSA-N 1 1 342.403 0.711 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nccn2CC)C1 ZINC001070406154 783985531 /nfs/dbraw/zinc/98/55/31/783985531.db2.gz MVTKLXMPFXIUIJ-CYBMUJFWSA-N 1 1 326.404 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn3c2CCC3)C1 ZINC001070411626 784002412 /nfs/dbraw/zinc/00/24/12/784002412.db2.gz UHCZNPNEQIQQSA-ZDUSSCGKSA-N 1 1 338.415 0.905 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CC)C1 ZINC001070413242 784008754 /nfs/dbraw/zinc/00/87/54/784008754.db2.gz XVHDHUHSGNOXNY-ZBFHGGJFSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCCN2C)C1 ZINC001070414278 784012888 /nfs/dbraw/zinc/01/28/88/784012888.db2.gz JBYOTTAUVNWNNG-GDBMZVCRSA-N 1 1 329.448 0.933 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCCN2C)C1 ZINC001070414278 784012897 /nfs/dbraw/zinc/01/28/97/784012897.db2.gz JBYOTTAUVNWNNG-GDBMZVCRSA-N 1 1 329.448 0.933 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 ZINC001070414973 784015630 /nfs/dbraw/zinc/01/56/30/784015630.db2.gz VVWMHUGHLVTCHW-ZFWWWQNUSA-N 1 1 330.436 0.823 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001070414969 784016189 /nfs/dbraw/zinc/01/61/89/784016189.db2.gz VVJQIFUPPOYKQK-ZIAGYGMSSA-N 1 1 345.447 0.918 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)cc1 ZINC001038223067 784017791 /nfs/dbraw/zinc/01/77/91/784017791.db2.gz RQFYBUOVXRTTCV-UKRRQHHQSA-N 1 1 344.371 0.388 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)cc1 ZINC001038223067 784017797 /nfs/dbraw/zinc/01/77/97/784017797.db2.gz RQFYBUOVXRTTCV-UKRRQHHQSA-N 1 1 344.371 0.388 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001070419619 784026053 /nfs/dbraw/zinc/02/60/53/784026053.db2.gz DCXZFSCTEUIGQF-OWGXSOMWSA-N 1 1 340.427 0.872 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001070420282 784028781 /nfs/dbraw/zinc/02/87/81/784028781.db2.gz VHFUBWLIXKCJMZ-OCCSQVGLSA-N 1 1 346.435 0.415 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001070422883 784034925 /nfs/dbraw/zinc/03/49/25/784034925.db2.gz KUXRJJLHYPKWQL-YPMHNXCESA-N 1 1 332.408 0.073 20 30 ECEDMO C=CCn1cc(C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CC)C2)nn1 ZINC001070427903 784045280 /nfs/dbraw/zinc/04/52/80/784045280.db2.gz HNZPYJWTPIMWIE-LBPRGKRZSA-N 1 1 329.408 0.926 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001070432788 784057896 /nfs/dbraw/zinc/05/78/96/784057896.db2.gz QCPGXNOVGOLBJM-JSGCOSHPSA-N 1 1 329.404 0.117 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001070433971 784060367 /nfs/dbraw/zinc/06/03/67/784060367.db2.gz JHFXDQKPQQZCOV-KBPBESRZSA-N 1 1 345.447 0.870 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001070434213 784061508 /nfs/dbraw/zinc/06/15/08/784061508.db2.gz PDNYGGCYIBLPFO-HUUCEWRRSA-N 1 1 345.447 0.870 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ccnn1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070443112 784089181 /nfs/dbraw/zinc/08/91/81/784089181.db2.gz XRVTZTAXDWLXPF-ZDUSSCGKSA-N 1 1 341.419 0.574 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CN(C(=O)c1cnco1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070447956 784103707 /nfs/dbraw/zinc/10/37/07/784103707.db2.gz SHLONRXBBCIMKS-CYBMUJFWSA-N 1 1 340.387 0.666 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cnco1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448264 784104154 /nfs/dbraw/zinc/10/41/54/784104154.db2.gz VNEMRIDKMAKSNQ-GFCCVEGCSA-N 1 1 328.376 0.829 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)COCC=C)C1 ZINC001070921756 784120409 /nfs/dbraw/zinc/12/04/09/784120409.db2.gz MCUPEZHLPDRQES-CVEARBPZSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)COCC=C)C1 ZINC001070921756 784120412 /nfs/dbraw/zinc/12/04/12/784120412.db2.gz MCUPEZHLPDRQES-CVEARBPZSA-N 1 1 333.432 0.394 20 30 ECEDMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cn(C)cn2)[nH]1 ZINC001070476410 784158333 /nfs/dbraw/zinc/15/83/33/784158333.db2.gz LICXEAYATWMQMN-VHRBIJSZSA-N 1 1 342.407 0.091 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(C)c2)CC1 ZINC001070944830 784186570 /nfs/dbraw/zinc/18/65/70/784186570.db2.gz MHKWVHPNXSIPAL-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956664 784222711 /nfs/dbraw/zinc/22/27/11/784222711.db2.gz XHDGDHWSESFJNF-UHFFFAOYSA-N 1 1 329.404 0.727 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956664 784222716 /nfs/dbraw/zinc/22/27/16/784222716.db2.gz XHDGDHWSESFJNF-UHFFFAOYSA-N 1 1 329.404 0.727 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnnc(C)c2)CC1 ZINC001070958807 784229723 /nfs/dbraw/zinc/22/97/23/784229723.db2.gz UHTFQSMMLMKEKA-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnnc(C)c2)CC1 ZINC001070958807 784229724 /nfs/dbraw/zinc/22/97/24/784229724.db2.gz UHTFQSMMLMKEKA-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccnn2C)CC1 ZINC001070958794 784229813 /nfs/dbraw/zinc/22/98/13/784229813.db2.gz SXIDQFGOXPSTLX-UHFFFAOYSA-N 1 1 347.463 0.579 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)ccn2C)CC1 ZINC001070960151 784233006 /nfs/dbraw/zinc/23/30/06/784233006.db2.gz XZLZRYXCBQUVOH-UHFFFAOYSA-N 1 1 330.432 0.621 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)ccn2C)CC1 ZINC001070960151 784233012 /nfs/dbraw/zinc/23/30/12/784233012.db2.gz XZLZRYXCBQUVOH-UHFFFAOYSA-N 1 1 330.432 0.621 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnnn2CC)CC1 ZINC001070961753 784237564 /nfs/dbraw/zinc/23/75/64/784237564.db2.gz YWZVHRWIKCLNGW-UHFFFAOYSA-N 1 1 334.424 0.138 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnnn2CC)CC1 ZINC001070961753 784237570 /nfs/dbraw/zinc/23/75/70/784237570.db2.gz YWZVHRWIKCLNGW-UHFFFAOYSA-N 1 1 334.424 0.138 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(=O)NCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC001070962556 784239655 /nfs/dbraw/zinc/23/96/55/784239655.db2.gz WHPNSMYURVZLHK-QGZVFWFLSA-N 1 1 347.459 0.477 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001070962308 784240131 /nfs/dbraw/zinc/24/01/31/784240131.db2.gz NSEGVSNEUXPZDR-HNNXBMFYSA-N 1 1 339.436 0.019 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccncc2C)CC1 ZINC001070962660 784240927 /nfs/dbraw/zinc/24/09/27/784240927.db2.gz YXHBQVCMPKYSKG-UHFFFAOYSA-N 1 1 328.416 0.677 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccncc2C)CC1 ZINC001070962660 784240934 /nfs/dbraw/zinc/24/09/34/784240934.db2.gz YXHBQVCMPKYSKG-UHFFFAOYSA-N 1 1 328.416 0.677 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964377 784247813 /nfs/dbraw/zinc/24/78/13/784247813.db2.gz GMSQTIAAYKMTTL-HZPDHXFCSA-N 1 1 336.480 0.553 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001070552060 784262867 /nfs/dbraw/zinc/26/28/67/784262867.db2.gz BFGNTBCDVAPPGI-QAPCUYQASA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCO[C@@H]2CC)CC1 ZINC001070969402 784264076 /nfs/dbraw/zinc/26/40/76/784264076.db2.gz PPEVXKCGHODGNF-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCO[C@@H]2CC)CC1 ZINC001070969402 784264082 /nfs/dbraw/zinc/26/40/82/784264082.db2.gz PPEVXKCGHODGNF-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070971526 784274685 /nfs/dbraw/zinc/27/46/85/784274685.db2.gz DJHNLTWNLAPTSE-INIZCTEOSA-N 1 1 336.480 0.697 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001070973163 784282665 /nfs/dbraw/zinc/28/26/65/784282665.db2.gz DUMZCQODIXYHSZ-ZDUSSCGKSA-N 1 1 327.375 0.706 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001070973163 784282671 /nfs/dbraw/zinc/28/26/71/784282671.db2.gz DUMZCQODIXYHSZ-ZDUSSCGKSA-N 1 1 327.375 0.706 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC001070980051 784306796 /nfs/dbraw/zinc/30/67/96/784306796.db2.gz MUJFAVBYKKZXGZ-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC001070980051 784306806 /nfs/dbraw/zinc/30/68/06/784306806.db2.gz MUJFAVBYKKZXGZ-MRXNPFEDSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001070980982 784309501 /nfs/dbraw/zinc/30/95/01/784309501.db2.gz DDTUEPYRAVNMSP-OCABDXPQSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001070980982 784309509 /nfs/dbraw/zinc/30/95/09/784309509.db2.gz DDTUEPYRAVNMSP-OCABDXPQSA-N 1 1 345.443 0.084 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(=O)NCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC001070985753 784326349 /nfs/dbraw/zinc/32/63/49/784326349.db2.gz VGIRLBRVYWZREF-HNNXBMFYSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)cnn2C)CC1 ZINC001070989648 784336155 /nfs/dbraw/zinc/33/61/55/784336155.db2.gz AWFJDEQLIGUKRK-UHFFFAOYSA-N 1 1 347.463 0.959 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)nc[nH]c2=O)CC1 ZINC001070991347 784341295 /nfs/dbraw/zinc/34/12/95/784341295.db2.gz OGZGMGPAKYVBDJ-UHFFFAOYSA-N 1 1 347.419 0.331 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC001070995999 784355639 /nfs/dbraw/zinc/35/56/39/784355639.db2.gz DDNORXLYLREAFD-CVEARBPZSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC001070995999 784355648 /nfs/dbraw/zinc/35/56/48/784355648.db2.gz DDNORXLYLREAFD-CVEARBPZSA-N 1 1 335.448 0.333 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001070999998 784369240 /nfs/dbraw/zinc/36/92/40/784369240.db2.gz JKAIIIQNAKVCNN-HOTGVXAUSA-N 1 1 336.480 0.411 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)COc2cccnc2)CC1 ZINC001071008399 784396019 /nfs/dbraw/zinc/39/60/19/784396019.db2.gz XTLSIANFJMKSLY-UHFFFAOYSA-N 1 1 344.415 0.134 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)COc2cccnc2)CC1 ZINC001071008399 784396027 /nfs/dbraw/zinc/39/60/27/784396027.db2.gz XTLSIANFJMKSLY-UHFFFAOYSA-N 1 1 344.415 0.134 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001071010284 784402126 /nfs/dbraw/zinc/40/21/26/784402126.db2.gz DZJYHWRTZBUEMN-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001070598254 784410446 /nfs/dbraw/zinc/41/04/46/784410446.db2.gz VLAIVLIOAUTAPN-NBFUAULTSA-N 1 1 346.431 0.989 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnn(C)n2)n1 ZINC001070599135 784411980 /nfs/dbraw/zinc/41/19/80/784411980.db2.gz JTZOHFXIQRUGPV-STQMWFEESA-N 1 1 345.407 0.539 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2c[nH]cn2)n1 ZINC001070599031 784412416 /nfs/dbraw/zinc/41/24/16/784412416.db2.gz DGFXLTHRITVXQJ-GJZGRUSLSA-N 1 1 342.403 0.510 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2cnc[nH]2)n1 ZINC001070599031 784412426 /nfs/dbraw/zinc/41/24/26/784412426.db2.gz DGFXLTHRITVXQJ-GJZGRUSLSA-N 1 1 342.403 0.510 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2cnc[nH]2)n1 ZINC001070599031 784412432 /nfs/dbraw/zinc/41/24/32/784412432.db2.gz DGFXLTHRITVXQJ-GJZGRUSLSA-N 1 1 342.403 0.510 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cccn2)n1 ZINC001070601558 784418505 /nfs/dbraw/zinc/41/85/05/784418505.db2.gz NTHRWKNJYBWXNW-LSDHHAIUSA-N 1 1 342.403 0.441 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCCOC2)n1 ZINC001070601378 784418564 /nfs/dbraw/zinc/41/85/64/784418564.db2.gz JADPDYVLYMNEDI-HRCADAONSA-N 1 1 346.431 0.971 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001070670796 784527501 /nfs/dbraw/zinc/52/75/01/784527501.db2.gz JPKGHIZSVAZQAK-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001070670796 784527505 /nfs/dbraw/zinc/52/75/05/784527505.db2.gz JPKGHIZSVAZQAK-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001070672929 784530907 /nfs/dbraw/zinc/53/09/07/784530907.db2.gz SJIXJAUPUUZSOG-RDTXWAMCSA-N 1 1 337.464 0.905 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1)C[C@@H](C)O2 ZINC001071142449 784593119 /nfs/dbraw/zinc/59/31/19/784593119.db2.gz QKVQJSRYBRZPAN-CRAIPNDOSA-N 1 1 330.432 0.678 20 30 ECEDMO COCC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)C[C@@H](C)O2 ZINC001071154576 784617456 /nfs/dbraw/zinc/61/74/56/784617456.db2.gz MERVVSFUBBYZKD-CXAGYDPISA-N 1 1 332.404 0.838 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CN=NC1=O)C[C@@H](C)O2 ZINC001071159938 784627208 /nfs/dbraw/zinc/62/72/08/784627208.db2.gz UMPHSLUYDZTZTR-CJNGLKHVSA-N 1 1 335.408 0.252 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@@H](C)O2 ZINC001071159882 784627255 /nfs/dbraw/zinc/62/72/55/784627255.db2.gz SSRXWAFNUKZMCU-KDOFPFPSSA-N 1 1 335.448 0.733 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@@H](C)O2 ZINC001071159593 784627296 /nfs/dbraw/zinc/62/72/96/784627296.db2.gz OKJGNNMFSRASQR-CXAGYDPISA-N 1 1 335.404 0.860 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CN=NC1=O)C[C@@H](C)O2 ZINC001071160025 784628449 /nfs/dbraw/zinc/62/84/49/784628449.db2.gz WFIUCMYUYOQSQH-PBHICJAKSA-N 1 1 349.435 0.642 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)C[C@@H](C)O2 ZINC001071160172 784628651 /nfs/dbraw/zinc/62/86/51/784628651.db2.gz ZEGQVAGJTMGTAT-WBVHZDCISA-N 1 1 331.420 0.383 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1CS(=O)(=O)C1)C[C@H](C)O2 ZINC001071168857 784646498 /nfs/dbraw/zinc/64/64/98/784646498.db2.gz IQKVGDIDWJGWSY-XJKSGUPXSA-N 1 1 342.461 0.299 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CS(=O)(=O)C1)C[C@H](C)O2 ZINC001071168857 784646504 /nfs/dbraw/zinc/64/65/04/784646504.db2.gz IQKVGDIDWJGWSY-XJKSGUPXSA-N 1 1 342.461 0.299 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1ccccc1=O)C[C@H](C)O2 ZINC001071171118 784653092 /nfs/dbraw/zinc/65/30/92/784653092.db2.gz ILUHJXDKOWZCGL-QFBILLFUSA-N 1 1 343.427 0.563 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc3[nH]cnc3c1)C[C@@H](C)O2 ZINC001071171516 784653413 /nfs/dbraw/zinc/65/34/13/784653413.db2.gz ODUYSAWSQLPQLL-ACJLOTCBSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cc(OC)no1)C[C@H](C)O2 ZINC001071173805 784659832 /nfs/dbraw/zinc/65/98/32/784659832.db2.gz NVURPFOCGHJEOE-KSSFIOAISA-N 1 1 347.415 0.941 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)CCOC)C1 ZINC001070771487 784677168 /nfs/dbraw/zinc/67/71/68/784677168.db2.gz BDVWJOTYSBZZAN-ZACQAIPSSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)CCOC)C1 ZINC001070771487 784677178 /nfs/dbraw/zinc/67/71/78/784677178.db2.gz BDVWJOTYSBZZAN-ZACQAIPSSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)o1)C[C@H](C)O2 ZINC001071188842 784692539 /nfs/dbraw/zinc/69/25/39/784692539.db2.gz BTIVWFCPHIAJSE-YVEFUNNKSA-N 1 1 333.388 0.870 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071190143 784697341 /nfs/dbraw/zinc/69/73/41/784697341.db2.gz UVJABOZJDFJTMW-KBXCAEBGSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071190143 784697347 /nfs/dbraw/zinc/69/73/47/784697347.db2.gz UVJABOZJDFJTMW-KBXCAEBGSA-N 1 1 331.416 0.877 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3nccn3c1)C[C@@H](C)O2 ZINC001071190370 784698116 /nfs/dbraw/zinc/69/81/16/784698116.db2.gz YEYZAOFHVNTRCK-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C[C@H](C)O2 ZINC001071193028 784706471 /nfs/dbraw/zinc/70/64/71/784706471.db2.gz VKYMHVKHLABUTI-GUYCJALGSA-N 1 1 332.404 0.272 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@H](C)O2 ZINC001071203584 784728333 /nfs/dbraw/zinc/72/83/33/784728333.db2.gz DWNLGNXFHQDEBG-WMLDXEAASA-N 1 1 335.448 0.910 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)COc1cnn(C)c1)C[C@H](C)O2 ZINC001071204385 784729823 /nfs/dbraw/zinc/72/98/23/784729823.db2.gz OFRUTUCUQIJGKH-YJBOKZPZSA-N 1 1 346.431 0.514 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@H](C)O2 ZINC001071208955 784739701 /nfs/dbraw/zinc/73/97/01/784739701.db2.gz BWBDCCNLXHTGSX-YVEFUNNKSA-N 1 1 330.388 0.052 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@H](C)O2 ZINC001071209343 784741021 /nfs/dbraw/zinc/74/10/21/784741021.db2.gz IIZLXJTZZWFIOG-YOEHRIQHSA-N 1 1 333.436 0.626 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)C[C@H](C)O2 ZINC001071211574 784745847 /nfs/dbraw/zinc/74/58/47/784745847.db2.gz KELOTFVDFDCQJD-KXBFYZLASA-N 1 1 343.427 0.714 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ccc(C)n1)C[C@H](C)O2 ZINC001071212426 784748739 /nfs/dbraw/zinc/74/87/39/784748739.db2.gz XJYRUHUXJUMWBF-WMZOPIPTSA-N 1 1 330.432 0.907 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CCO)C3)C2)nn1 ZINC001071218359 784762175 /nfs/dbraw/zinc/76/21/75/784762175.db2.gz MOYGNCRBFDWTAT-WMLDXEAASA-N 1 1 349.435 0.152 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cncc(OC)n1)C[C@H](C)O2 ZINC001071219790 784766876 /nfs/dbraw/zinc/76/68/76/784766876.db2.gz YHQFQGMPBZSLQA-KSSFIOAISA-N 1 1 344.415 0.814 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)n(CC)n1)C[C@@H](C)O2 ZINC001071220315 784769158 /nfs/dbraw/zinc/76/91/58/784769158.db2.gz FJSWAPMPNBYOAU-RDTXWAMCSA-N 1 1 346.431 0.755 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)C[C@@H](C)O2 ZINC001071221647 784771904 /nfs/dbraw/zinc/77/19/04/784771904.db2.gz TYGGOAHSGAQJIW-DYVFJYSZSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)C[C@@H](C)O2 ZINC001071221647 784771910 /nfs/dbraw/zinc/77/19/10/784771910.db2.gz TYGGOAHSGAQJIW-DYVFJYSZSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CC)nn1)C[C@H](C)O2 ZINC001071224970 784779331 /nfs/dbraw/zinc/77/93/31/784779331.db2.gz DBCMUVNNHJFESI-YOEHRIQHSA-N 1 1 331.420 0.627 20 30 ECEDMO CC#CCN1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071227337 784785607 /nfs/dbraw/zinc/78/56/07/784785607.db2.gz DFECNMORLSJMCY-VQIMIIECSA-N 1 1 331.460 0.797 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cncn1)C[C@H](C)O2 ZINC001071238062 784807159 /nfs/dbraw/zinc/80/71/59/784807159.db2.gz IKRHZZQOGNLTSW-RDJZCZTQSA-N 1 1 333.436 0.936 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1c(C)csc1=O)C[C@@H](C)O2 ZINC001071239136 784809872 /nfs/dbraw/zinc/80/98/72/784809872.db2.gz WUDTXAOEADQLNU-PBHICJAKSA-N 1 1 349.456 0.543 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn(C)c1)C[C@H](C)O2 ZINC001071243080 784819770 /nfs/dbraw/zinc/81/97/70/784819770.db2.gz APZQMVINXYVKJS-YJBOKZPZSA-N 1 1 330.432 0.678 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)C[C@@H](C)O2 ZINC001071245450 784824868 /nfs/dbraw/zinc/82/48/68/784824868.db2.gz CTTYYPZGJICLNH-ACJLOTCBSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccon3)C2)C(=O)C1 ZINC001071255678 784852693 /nfs/dbraw/zinc/85/26/93/784852693.db2.gz TZVQJQWWFHHTNA-CQSZACIVSA-N 1 1 332.404 1.000 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccon3)C2)C(=O)C1 ZINC001071255678 784852699 /nfs/dbraw/zinc/85/26/99/784852699.db2.gz TZVQJQWWFHHTNA-CQSZACIVSA-N 1 1 332.404 1.000 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cocn3)C2)C(=O)C1 ZINC001071259057 784867997 /nfs/dbraw/zinc/86/79/97/784867997.db2.gz XCWBQCVZJFJANE-AWEZNQCLSA-N 1 1 332.404 1.000 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cocn3)C2)C(=O)C1 ZINC001071259057 784867998 /nfs/dbraw/zinc/86/79/98/784867998.db2.gz XCWBQCVZJFJANE-AWEZNQCLSA-N 1 1 332.404 1.000 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C(=O)C1 ZINC001071265666 784889166 /nfs/dbraw/zinc/88/91/66/784889166.db2.gz PPIJAQNGYKEXAR-IXDOHACOSA-N 1 1 348.491 0.648 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001071340469 784978545 /nfs/dbraw/zinc/97/85/45/784978545.db2.gz PEJGPJNNHCRWJG-BBRMVZONSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2ccnc3c2nnn3C)CC[C@H]1C ZINC001071772435 785082935 /nfs/dbraw/zinc/08/29/35/785082935.db2.gz KWRPECPEHAEQQH-CHWSQXEVSA-N 1 1 326.404 0.969 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CCn1cncn1 ZINC001071438090 785087766 /nfs/dbraw/zinc/08/77/66/785087766.db2.gz LTERLTHXFSGBDJ-TZMCWYRMSA-N 1 1 327.392 0.761 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1Cc1ccccc1C#N ZINC001071513614 785229558 /nfs/dbraw/zinc/22/95/58/785229558.db2.gz GMWSBDLVLJTDFZ-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1ccccc1C#N ZINC001071513614 785229562 /nfs/dbraw/zinc/22/95/62/785229562.db2.gz GMWSBDLVLJTDFZ-XJKSGUPXSA-N 1 1 339.403 0.714 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001071875303 785253404 /nfs/dbraw/zinc/25/34/04/785253404.db2.gz UCHNUEPTKNCHHB-DOMZBBRYSA-N 1 1 331.420 0.805 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001071918591 785331350 /nfs/dbraw/zinc/33/13/50/785331350.db2.gz QGCSEOGLTXJRCQ-DOMZBBRYSA-N 1 1 331.420 0.805 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001071921657 785339059 /nfs/dbraw/zinc/33/90/59/785339059.db2.gz JMDDKETVYLFZKX-SWLSCSKDSA-N 1 1 331.420 0.805 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)CC[C@@H]1C ZINC001071930389 785354771 /nfs/dbraw/zinc/35/47/71/785354771.db2.gz DHRNVHDEGNUTBN-HOCLYGCPSA-N 1 1 330.432 0.853 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C ZINC001071619725 785406204 /nfs/dbraw/zinc/40/62/04/785406204.db2.gz TWKGVTHQYNUERA-HZPDHXFCSA-N 1 1 336.480 0.696 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)CC[C@@H]1C ZINC001071662631 785476695 /nfs/dbraw/zinc/47/66/95/785476695.db2.gz DXQSGXVWRNMBTC-DZGCQCFKSA-N 1 1 329.400 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)N3CCC3)C2)nc1 ZINC001071999039 785503055 /nfs/dbraw/zinc/50/30/55/785503055.db2.gz MEIROCFNBLLRAZ-GDBMZVCRSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)N3CCC3)C2)nc1 ZINC001071999039 785503059 /nfs/dbraw/zinc/50/30/59/785503059.db2.gz MEIROCFNBLLRAZ-GDBMZVCRSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCn3cncn3)C2)cn1 ZINC001072001753 785507937 /nfs/dbraw/zinc/50/79/37/785507937.db2.gz GJMIFGRNCWHPQM-WMLDXEAASA-N 1 1 338.415 0.937 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)c2cnc3c(c2)nnn3C)CC[C@@H]1C ZINC001071696207 785545288 /nfs/dbraw/zinc/54/52/88/785545288.db2.gz XBWGUHFDSJACAU-GXTWGEPZSA-N 1 1 326.404 0.969 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001072061185 785598110 /nfs/dbraw/zinc/59/81/10/785598110.db2.gz ZGELLGZDFNFWKU-HZPDHXFCSA-N 1 1 349.475 0.721 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)CC[C@@H]1C ZINC001072073263 785623016 /nfs/dbraw/zinc/62/30/16/785623016.db2.gz WZNYEWDKYYAOIN-KBPBESRZSA-N 1 1 326.404 0.659 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001072135493 785725296 /nfs/dbraw/zinc/72/52/96/785725296.db2.gz JYHOXNDGWKHPLO-UKRRQHHQSA-N 1 1 332.404 0.195 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)C[C@@H]4CCCO4)C3)C2)C1=O ZINC001072502803 786291039 /nfs/dbraw/zinc/29/10/39/786291039.db2.gz KHSRFCVRUSHNCN-HOTGVXAUSA-N 1 1 347.459 0.877 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001074243411 786494857 /nfs/dbraw/zinc/49/48/57/786494857.db2.gz LJRPBPSWJJJDCT-CVEARBPZSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 ZINC001074285257 786593795 /nfs/dbraw/zinc/59/37/95/786593795.db2.gz XYLUXIZBQNQHPJ-HZPDHXFCSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 ZINC001074285257 786593803 /nfs/dbraw/zinc/59/38/03/786593803.db2.gz XYLUXIZBQNQHPJ-HZPDHXFCSA-N 1 1 331.416 0.877 20 30 ECEDMO Cn1nccc1C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073566764 786626540 /nfs/dbraw/zinc/62/65/40/786626540.db2.gz UJDLCEQODFSOLZ-OAHLLOKOSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1nccc1C[N@H+]1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073566764 786626545 /nfs/dbraw/zinc/62/65/45/786626545.db2.gz UJDLCEQODFSOLZ-OAHLLOKOSA-N 1 1 342.403 0.641 20 30 ECEDMO CC(C)C#CC(=O)N1CCN(C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001073570849 786641543 /nfs/dbraw/zinc/64/15/43/786641543.db2.gz FRIQTTKPRUYAHE-KRWDZBQOSA-N 1 1 346.475 0.095 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074340510 786709885 /nfs/dbraw/zinc/70/98/85/786709885.db2.gz JUTFAUWZQSWHAN-JKSUJKDBSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074340510 786709894 /nfs/dbraw/zinc/70/98/94/786709894.db2.gz JUTFAUWZQSWHAN-JKSUJKDBSA-N 1 1 346.431 0.995 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001073598355 786738524 /nfs/dbraw/zinc/73/85/24/786738524.db2.gz XACHMGAOLPJQJQ-AWEZNQCLSA-N 1 1 337.424 0.321 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001073633651 786825875 /nfs/dbraw/zinc/82/58/75/786825875.db2.gz BWAIYWHJZYLDIM-DOTOQJQBSA-N 1 1 342.443 0.812 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]21 ZINC001074387969 786827255 /nfs/dbraw/zinc/82/72/55/786827255.db2.gz SSQDQEHLKHEYDP-JKSUJKDBSA-N 1 1 346.431 0.430 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]21 ZINC001074387969 786827267 /nfs/dbraw/zinc/82/72/67/786827267.db2.gz SSQDQEHLKHEYDP-JKSUJKDBSA-N 1 1 346.431 0.430 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@H](CC)C(N)=O)CCCO1 ZINC001073637261 786837116 /nfs/dbraw/zinc/83/71/16/786837116.db2.gz UKZBZTLVUWARIO-HUUCEWRRSA-N 1 1 348.447 0.759 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)CCCO1 ZINC001073637261 786837120 /nfs/dbraw/zinc/83/71/20/786837120.db2.gz UKZBZTLVUWARIO-HUUCEWRRSA-N 1 1 348.447 0.759 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)CCCO1 ZINC001073637259 786838409 /nfs/dbraw/zinc/83/84/09/786838409.db2.gz UKZBZTLVUWARIO-CABCVRRESA-N 1 1 348.447 0.759 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)CCCO1 ZINC001073637259 786838419 /nfs/dbraw/zinc/83/84/19/786838419.db2.gz UKZBZTLVUWARIO-CABCVRRESA-N 1 1 348.447 0.759 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 ZINC001074402891 786868015 /nfs/dbraw/zinc/86/80/15/786868015.db2.gz NHFOZNLULRGWRA-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 ZINC001074402891 786868020 /nfs/dbraw/zinc/86/80/20/786868020.db2.gz NHFOZNLULRGWRA-CVEARBPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2sccc2-n2ccnn2)C1 ZINC001073652367 786877995 /nfs/dbraw/zinc/87/79/95/786877995.db2.gz XLUJGNGGFVVUAS-CYBMUJFWSA-N 1 1 345.428 0.783 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2sccc2-n2ccnn2)C1 ZINC001073652367 786878008 /nfs/dbraw/zinc/87/80/08/786878008.db2.gz XLUJGNGGFVVUAS-CYBMUJFWSA-N 1 1 345.428 0.783 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccnn2CCOC)C1 ZINC001073652246 786878468 /nfs/dbraw/zinc/87/84/68/786878468.db2.gz ULLAHJZFWYSDAQ-OAHLLOKOSA-N 1 1 334.420 0.374 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001073654932 786885225 /nfs/dbraw/zinc/88/52/25/786885225.db2.gz QZDCBRMWRAVLKY-LSDHHAIUSA-N 1 1 346.431 0.298 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001073654932 786885238 /nfs/dbraw/zinc/88/52/38/786885238.db2.gz QZDCBRMWRAVLKY-LSDHHAIUSA-N 1 1 346.431 0.298 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001073667294 786916598 /nfs/dbraw/zinc/91/65/98/786916598.db2.gz BQLCTBPVMYRWOR-KBPBESRZSA-N 1 1 349.435 0.329 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001073667295 786917578 /nfs/dbraw/zinc/91/75/78/786917578.db2.gz BQLCTBPVMYRWOR-KGLIPLIRSA-N 1 1 349.435 0.329 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001073667692 786919330 /nfs/dbraw/zinc/91/93/30/786919330.db2.gz MFHJLWVCFIAOQY-HNNXBMFYSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001073667692 786919338 /nfs/dbraw/zinc/91/93/38/786919338.db2.gz MFHJLWVCFIAOQY-HNNXBMFYSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001073670379 786925310 /nfs/dbraw/zinc/92/53/10/786925310.db2.gz HHQGGRDBPXJREI-JKSUJKDBSA-N 1 1 330.432 0.676 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CCOC)n2)C1 ZINC001073690739 786976844 /nfs/dbraw/zinc/97/68/44/786976844.db2.gz FXRCEBOMZHEOHR-OAHLLOKOSA-N 1 1 334.420 0.374 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3nccn3c2)C1 ZINC001073698171 786995772 /nfs/dbraw/zinc/99/57/72/786995772.db2.gz WRINEZKIMKWCQX-HNNXBMFYSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001073703815 787008080 /nfs/dbraw/zinc/00/80/80/787008080.db2.gz YTBFNARPYFIGIB-HZPDHXFCSA-N 1 1 345.447 0.461 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001073703816 787008508 /nfs/dbraw/zinc/00/85/08/787008508.db2.gz YTBFNARPYFIGIB-JKSUJKDBSA-N 1 1 345.447 0.461 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001073703813 787009005 /nfs/dbraw/zinc/00/90/05/787009005.db2.gz YTBFNARPYFIGIB-CVEARBPZSA-N 1 1 345.447 0.461 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001073710289 787020868 /nfs/dbraw/zinc/02/08/68/787020868.db2.gz WHWPVKKZOXNXDG-CABCVRRESA-N 1 1 333.436 0.542 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001073712606 787026879 /nfs/dbraw/zinc/02/68/79/787026879.db2.gz GZAKBXRGONGXCL-KGLIPLIRSA-N 1 1 347.406 0.345 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001073713193 787029864 /nfs/dbraw/zinc/02/98/64/787029864.db2.gz VQBPGCIUQMNXEP-UONOGXRCSA-N 1 1 332.404 0.368 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001073713193 787029872 /nfs/dbraw/zinc/02/98/72/787029872.db2.gz VQBPGCIUQMNXEP-UONOGXRCSA-N 1 1 332.404 0.368 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001073722200 787056151 /nfs/dbraw/zinc/05/61/51/787056151.db2.gz HCISGUCRSQWIOZ-HNNXBMFYSA-N 1 1 341.415 0.665 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001073722200 787056163 /nfs/dbraw/zinc/05/61/63/787056163.db2.gz HCISGUCRSQWIOZ-HNNXBMFYSA-N 1 1 341.415 0.665 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001073723372 787063006 /nfs/dbraw/zinc/06/30/06/787063006.db2.gz IAPZAJKKEREWLF-AWEZNQCLSA-N 1 1 334.420 0.404 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001073739421 787090798 /nfs/dbraw/zinc/09/07/98/787090798.db2.gz SJCVTAFQMLELES-HOTGVXAUSA-N 1 1 335.448 0.616 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073740139 787092335 /nfs/dbraw/zinc/09/23/35/787092335.db2.gz BWTZJBSZFSLCBY-IRXDYDNUSA-N 1 1 339.480 0.879 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001073740139 787092345 /nfs/dbraw/zinc/09/23/45/787092345.db2.gz BWTZJBSZFSLCBY-IRXDYDNUSA-N 1 1 339.480 0.879 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001073743138 787101482 /nfs/dbraw/zinc/10/14/82/787101482.db2.gz OBICYJRCKMMLKN-CYBMUJFWSA-N 1 1 344.419 0.760 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001073745712 787109598 /nfs/dbraw/zinc/10/95/98/787109598.db2.gz GJZDLVXRCUWNIR-CABCVRRESA-N 1 1 345.447 0.150 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001073745615 787109919 /nfs/dbraw/zinc/10/99/19/787109919.db2.gz CUQZSWZHPWOHAC-LBPRGKRZSA-N 1 1 343.387 0.508 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2nnn3C)C1 ZINC001073749469 787125102 /nfs/dbraw/zinc/12/51/02/787125102.db2.gz ZQXMGTPTEUFQQR-ZDUSSCGKSA-N 1 1 342.403 0.207 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001074511407 787130821 /nfs/dbraw/zinc/13/08/21/787130821.db2.gz HSIUWNAHRFPLPW-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c(C)nn(C)c2OC)C1 ZINC001073798671 787223976 /nfs/dbraw/zinc/22/39/76/787223976.db2.gz NKHDVKABFXTZRG-AWEZNQCLSA-N 1 1 334.420 0.581 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)nn(C)c2OC)C1 ZINC001073798671 787223979 /nfs/dbraw/zinc/22/39/79/787223979.db2.gz NKHDVKABFXTZRG-AWEZNQCLSA-N 1 1 334.420 0.581 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)O)CCCO2)nn1 ZINC001073812843 787244709 /nfs/dbraw/zinc/24/47/09/787244709.db2.gz GHUHNPDMLKOCEN-ZIAGYGMSSA-N 1 1 337.424 0.056 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2C[N@@H+](CCOC)CCCO2)nn1 ZINC001073813011 787245699 /nfs/dbraw/zinc/24/56/99/787245699.db2.gz LOUZZBKCBYYRLR-AWEZNQCLSA-N 1 1 337.424 0.321 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001074579297 787308821 /nfs/dbraw/zinc/30/88/21/787308821.db2.gz BMXDOSQZDQLDPZ-HOTGVXAUSA-N 1 1 349.475 0.313 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001074579455 787310480 /nfs/dbraw/zinc/31/04/80/787310480.db2.gz ILCLRBPUFFBIQK-MRXNPFEDSA-N 1 1 349.475 0.600 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001074579737 787311049 /nfs/dbraw/zinc/31/10/49/787311049.db2.gz SSHKESIVJRUKGF-MRXNPFEDSA-N 1 1 349.475 0.457 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074581978 787322076 /nfs/dbraw/zinc/32/20/76/787322076.db2.gz BKEPJWJBTKEJLF-GDBMZVCRSA-N 1 1 347.459 0.067 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001073847606 787345691 /nfs/dbraw/zinc/34/56/91/787345691.db2.gz FMGSNYIFIVIPLA-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c(OC)cc[nH]c2=O)C1 ZINC001073862825 787391385 /nfs/dbraw/zinc/39/13/85/787391385.db2.gz YOWORWQUTBIEEM-ZDUSSCGKSA-N 1 1 333.388 0.640 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@@H](CC)C(N)=O)CCCO2)nc1 ZINC001073865402 787399965 /nfs/dbraw/zinc/39/99/65/787399965.db2.gz IALSICQVBOTNRQ-HOCLYGCPSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)CCCO2)nc1 ZINC001073865402 787399969 /nfs/dbraw/zinc/39/99/69/787399969.db2.gz IALSICQVBOTNRQ-HOCLYGCPSA-N 1 1 344.415 0.148 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C[C@H]3CCOC3)CCCO2)cn1 ZINC001073866138 787401249 /nfs/dbraw/zinc/40/12/49/787401249.db2.gz STEHZXQPGKPGDD-QAPCUYQASA-N 1 1 343.427 0.920 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001074622079 787426012 /nfs/dbraw/zinc/42/60/12/787426012.db2.gz VHAYNVZHAAADKM-CYBMUJFWSA-N 1 1 336.436 0.100 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001074622131 787426270 /nfs/dbraw/zinc/42/62/70/787426270.db2.gz XRMUBIPXVNRQCZ-UHFFFAOYSA-N 1 1 349.475 0.744 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001073883439 787429645 /nfs/dbraw/zinc/42/96/45/787429645.db2.gz NUZDBKUZFBDNLD-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001073883439 787429648 /nfs/dbraw/zinc/42/96/48/787429648.db2.gz NUZDBKUZFBDNLD-MRXNPFEDSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001073883467 787429662 /nfs/dbraw/zinc/42/96/62/787429662.db2.gz OSBFHLRINVBROE-MRXNPFEDSA-N 1 1 344.415 0.309 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001073883467 787429666 /nfs/dbraw/zinc/42/96/66/787429666.db2.gz OSBFHLRINVBROE-MRXNPFEDSA-N 1 1 344.415 0.309 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001073899593 787475689 /nfs/dbraw/zinc/47/56/89/787475689.db2.gz YDPGPIWDISRWAP-HOTGVXAUSA-N 1 1 345.447 0.379 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001073901670 787482286 /nfs/dbraw/zinc/48/22/86/787482286.db2.gz AWRKSPRVGCIZGH-CABCVRRESA-N 1 1 333.436 0.624 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001073905047 787488857 /nfs/dbraw/zinc/48/88/57/787488857.db2.gz SYVAKVXOPHEYMX-CQSZACIVSA-N 1 1 336.436 0.511 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c(OC)ncnc2OC)C1 ZINC001073908605 787498239 /nfs/dbraw/zinc/49/82/39/787498239.db2.gz PXYHLSMLDQPGMT-ZDUSSCGKSA-N 1 1 348.403 0.338 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001073959634 787585411 /nfs/dbraw/zinc/58/54/11/787585411.db2.gz HEQVKCFBBZXSPN-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001073959635 787585462 /nfs/dbraw/zinc/58/54/62/787585462.db2.gz HEQVKCFBBZXSPN-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001073959778 787585486 /nfs/dbraw/zinc/58/54/86/787585486.db2.gz HTYQMGWRWNNSMI-NVXWUHKLSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001073959777 787585617 /nfs/dbraw/zinc/58/56/17/787585617.db2.gz HTYQMGWRWNNSMI-DOTOQJQBSA-N 1 1 349.475 0.864 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001074707298 787649827 /nfs/dbraw/zinc/64/98/27/787649827.db2.gz XXMYLBOCFROIJU-ZIAGYGMSSA-N 1 1 336.436 0.100 20 30 ECEDMO C=CCCC(=O)NCC1(O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001074731667 787723117 /nfs/dbraw/zinc/72/31/17/787723117.db2.gz ZAUIZWMYZZUURR-CABCVRRESA-N 1 1 337.464 0.620 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 ZINC001074159422 787963242 /nfs/dbraw/zinc/96/32/42/787963242.db2.gz FFXSPCXKNQXCGM-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 ZINC001074159422 787963251 /nfs/dbraw/zinc/96/32/51/787963251.db2.gz FFXSPCXKNQXCGM-HOTGVXAUSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 ZINC001074169633 787979883 /nfs/dbraw/zinc/97/98/83/787979883.db2.gz AMASCXJJKPPLGW-CVEARBPZSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 ZINC001074169633 787979888 /nfs/dbraw/zinc/97/98/88/787979888.db2.gz AMASCXJJKPPLGW-CVEARBPZSA-N 1 1 333.436 0.936 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 ZINC001074194198 788022613 /nfs/dbraw/zinc/02/26/13/788022613.db2.gz GUZVUJOCTHBALZ-ZIAGYGMSSA-N 1 1 331.420 0.940 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 ZINC001074194198 788022621 /nfs/dbraw/zinc/02/26/21/788022621.db2.gz GUZVUJOCTHBALZ-ZIAGYGMSSA-N 1 1 331.420 0.940 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CC4(F)F)C3)C2)C1=O ZINC001072704616 788620916 /nfs/dbraw/zinc/62/09/16/788620916.db2.gz BOOHBFWZAUSTCL-OLZOCXBDSA-N 1 1 339.386 0.963 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C2)C1 ZINC001072738154 788676540 /nfs/dbraw/zinc/67/65/40/788676540.db2.gz IOPQDLLQZMSBIT-UHFFFAOYSA-N 1 1 331.416 0.329 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)Cn4nccn4)C3)C2)s1 ZINC001072782845 788788266 /nfs/dbraw/zinc/78/82/66/788788266.db2.gz FRWHSGDZZAZSOD-UHFFFAOYSA-N 1 1 342.428 0.946 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C2)C1 ZINC001072813452 788868065 /nfs/dbraw/zinc/86/80/65/788868065.db2.gz SDWJHSNRCZPCNL-MRXNPFEDSA-N 1 1 331.464 0.924 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@@]3(C4CCCC4)CCNC3=O)C2)C1 ZINC001072826437 788903389 /nfs/dbraw/zinc/90/33/89/788903389.db2.gz VDNKMVXPMMEFBQ-LJQANCHMSA-N 1 1 329.444 0.850 20 30 ECEDMO C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C2)C1 ZINC001072976838 789196243 /nfs/dbraw/zinc/19/62/43/789196243.db2.gz CFWUILCLLUAWOJ-CVEARBPZSA-N 1 1 347.459 0.877 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001072986698 789228295 /nfs/dbraw/zinc/22/82/95/789228295.db2.gz HFFFBXROGNCNOA-KBXCAEBGSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001072994747 789245703 /nfs/dbraw/zinc/24/57/03/789245703.db2.gz QDSDKGYNKNWLHN-OAGGEKHMSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC001073001260 789259169 /nfs/dbraw/zinc/25/91/69/789259169.db2.gz YDLHQOBCEMDRAN-CQSZACIVSA-N 1 1 328.420 0.183 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC)C2 ZINC001073045894 789339892 /nfs/dbraw/zinc/33/98/92/789339892.db2.gz CBYKJNOJSXSKRM-HOCLYGCPSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC)C2 ZINC001073045894 789339898 /nfs/dbraw/zinc/33/98/98/789339898.db2.gz CBYKJNOJSXSKRM-HOCLYGCPSA-N 1 1 335.448 0.638 20 30 ECEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1 ZINC001073052063 789350075 /nfs/dbraw/zinc/35/00/75/789350075.db2.gz BAAILFAJXQWUNC-UHFFFAOYSA-N 1 1 346.431 0.475 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)C3(S(C)(=O)=O)CCCC3)C2)C1 ZINC001073053229 789351380 /nfs/dbraw/zinc/35/13/80/789351380.db2.gz AXPVYZUHGOYRST-UHFFFAOYSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)CC1 ZINC001075456792 789380092 /nfs/dbraw/zinc/38/00/92/789380092.db2.gz BPEPYSKUOLQQPB-GDBMZVCRSA-N 1 1 332.448 0.642 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C4CCOCC4)[C@@H]3C2)C1=O ZINC001075480013 789398187 /nfs/dbraw/zinc/39/81/87/789398187.db2.gz OTKFQQABFGYLHA-GVDBMIGSSA-N 1 1 347.459 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)COCC)CC1 ZINC001073122228 789477159 /nfs/dbraw/zinc/47/71/59/789477159.db2.gz ZFHSCABOZYGKLR-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)COCC)CC1 ZINC001073122228 789477163 /nfs/dbraw/zinc/47/71/63/789477163.db2.gz ZFHSCABOZYGKLR-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(=O)N(C)C)C3)cn1 ZINC001073135983 789507885 /nfs/dbraw/zinc/50/78/85/789507885.db2.gz UOCDKOLHIZOQEZ-AWEZNQCLSA-N 1 1 340.427 0.688 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cn[nH]c4)[C@@H]3C2)C1=O ZINC001075576973 789525421 /nfs/dbraw/zinc/52/54/21/789525421.db2.gz NDJJRLWCJBDVQP-NWANDNLSSA-N 1 1 329.404 0.343 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001073412743 789805138 /nfs/dbraw/zinc/80/51/38/789805138.db2.gz GZYVZPAOUOZMMG-LLVKDONJSA-N 1 1 340.811 0.261 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001073412743 789805145 /nfs/dbraw/zinc/80/51/45/789805145.db2.gz GZYVZPAOUOZMMG-LLVKDONJSA-N 1 1 340.811 0.261 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)COc3cccc(C(N)=O)c3)C2)C1 ZINC001073455480 789862347 /nfs/dbraw/zinc/86/23/47/789862347.db2.gz IWQJMOBBNMQOMP-UHFFFAOYSA-N 1 1 327.384 0.332 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3ccncc3C#N)C(C)(C)C2)C1 ZINC001069553508 789896211 /nfs/dbraw/zinc/89/62/11/789896211.db2.gz YCPPIIXEIDCRMY-HOTGVXAUSA-N 1 1 343.431 0.355 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3ccncc3C#N)C(C)(C)C2)C1 ZINC001069553508 789896214 /nfs/dbraw/zinc/89/62/14/789896214.db2.gz YCPPIIXEIDCRMY-HOTGVXAUSA-N 1 1 343.431 0.355 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC(Nc3nccnc3C#N)C2)C1 ZINC001069746411 790004672 /nfs/dbraw/zinc/00/46/72/790004672.db2.gz SQQDTXMTXQWPTO-PIMMBPRGSA-N 1 1 344.419 0.470 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC(Nc3nccnc3C#N)C2)C1 ZINC001069746411 790004678 /nfs/dbraw/zinc/00/46/78/790004678.db2.gz SQQDTXMTXQWPTO-PIMMBPRGSA-N 1 1 344.419 0.470 20 30 ECEDMO CN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069759059 790015074 /nfs/dbraw/zinc/01/50/74/790015074.db2.gz IBRDDYSBGSGPFH-JRSKDTKFSA-N 1 1 340.431 0.657 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)c2C1 ZINC001069860678 790112947 /nfs/dbraw/zinc/11/29/47/790112947.db2.gz DMKWDUUYWWZROG-NVXWUHKLSA-N 1 1 341.459 0.823 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)C1 ZINC001069863060 790117383 /nfs/dbraw/zinc/11/73/83/790117383.db2.gz TVVHVSMUHWYKDM-HNNXBMFYSA-N 1 1 344.463 0.816 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCNC3=O)c2C1 ZINC001069869771 790129410 /nfs/dbraw/zinc/12/94/10/790129410.db2.gz BKGRMZKTIIMGCI-CQSZACIVSA-N 1 1 331.420 0.417 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCNC3=O)c2C1 ZINC001069869771 790129414 /nfs/dbraw/zinc/12/94/14/790129414.db2.gz BKGRMZKTIIMGCI-CQSZACIVSA-N 1 1 331.420 0.417 20 30 ECEDMO CC#CCN1CCn2ncc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)c2C1 ZINC001069873828 790135370 /nfs/dbraw/zinc/13/53/70/790135370.db2.gz WLSRQXXVAJQSJD-GDBMZVCRSA-N 1 1 329.448 0.536 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069902013 790170929 /nfs/dbraw/zinc/17/09/29/790170929.db2.gz CGVKIRBQZBFALJ-HIFRSBDPSA-N 1 1 329.408 0.633 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)on2)[C@@H](n2ccnn2)C1 ZINC001069903693 790172482 /nfs/dbraw/zinc/17/24/82/790172482.db2.gz LBFQZJSKNVFGST-CABCVRRESA-N 1 1 330.392 0.735 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cc(C)on2)[C@@H](n2ccnn2)C1 ZINC001069903693 790172484 /nfs/dbraw/zinc/17/24/84/790172484.db2.gz LBFQZJSKNVFGST-CABCVRRESA-N 1 1 330.392 0.735 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907836 790176466 /nfs/dbraw/zinc/17/64/66/790176466.db2.gz QLMFXMGCHKJBBO-CABCVRRESA-N 1 1 325.376 0.709 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@@H](n2ccnn2)C1 ZINC001069915325 790184777 /nfs/dbraw/zinc/18/47/77/790184777.db2.gz YEOVDAUQXROENR-HIFRSBDPSA-N 1 1 329.408 0.726 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@@H](n2ccnn2)C1 ZINC001069915325 790184779 /nfs/dbraw/zinc/18/47/79/790184779.db2.gz YEOVDAUQXROENR-HIFRSBDPSA-N 1 1 329.408 0.726 20 30 ECEDMO C#CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924801 790195804 /nfs/dbraw/zinc/19/58/04/790195804.db2.gz GNLUIZMWMYFKFN-OAGGEKHMSA-N 1 1 330.436 0.126 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H](n2ccnn2)C1 ZINC001069928523 790200432 /nfs/dbraw/zinc/20/04/32/790200432.db2.gz GGSQDKFXOKHDJW-OLZOCXBDSA-N 1 1 347.810 0.344 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H](n2ccnn2)C1 ZINC001069928523 790200436 /nfs/dbraw/zinc/20/04/36/790200436.db2.gz GGSQDKFXOKHDJW-OLZOCXBDSA-N 1 1 347.810 0.344 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929520 790202289 /nfs/dbraw/zinc/20/22/89/790202289.db2.gz HSJCGFCOIYBLMJ-NFAWXSAZSA-N 1 1 329.408 0.343 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929520 790202290 /nfs/dbraw/zinc/20/22/90/790202290.db2.gz HSJCGFCOIYBLMJ-NFAWXSAZSA-N 1 1 329.408 0.343 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001069941843 790217998 /nfs/dbraw/zinc/21/79/98/790217998.db2.gz AUOZUIYYPJYJQR-ILXRZTDVSA-N 1 1 331.424 0.018 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CC)[C@@H](n2ccnn2)C1 ZINC001069966896 790253638 /nfs/dbraw/zinc/25/36/38/790253638.db2.gz APPSGDXDEKSCJZ-CABCVRRESA-N 1 1 329.408 0.795 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001068854289 791269436 /nfs/dbraw/zinc/26/94/36/791269436.db2.gz AJGMOQQZTNYMNU-GJZGRUSLSA-N 1 1 333.432 0.226 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068859542 791281097 /nfs/dbraw/zinc/28/10/97/791281097.db2.gz STKLMATZODLNSV-HUUCEWRRSA-N 1 1 333.432 0.084 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)[C@H]1C ZINC001068862192 791289927 /nfs/dbraw/zinc/28/99/27/791289927.db2.gz VOHOXKDHIINCPC-RISCZKNCSA-N 1 1 325.376 0.955 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001068862332 791291653 /nfs/dbraw/zinc/29/16/53/791291653.db2.gz BVTHCPWUBMJPTD-OAHLLOKOSA-N 1 1 333.432 0.226 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC(C)(C)C)CO2 ZINC001068863213 791294580 /nfs/dbraw/zinc/29/45/80/791294580.db2.gz RHKVPIORSXKNBE-HNNXBMFYSA-N 1 1 349.475 0.862 20 30 ECEDMO C=C(C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068874720 791322533 /nfs/dbraw/zinc/32/25/33/791322533.db2.gz WJNFVGWWHBILQE-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)CO2 ZINC001068904721 791382826 /nfs/dbraw/zinc/38/28/26/791382826.db2.gz BKDHTASNBGFWEN-QWHCGFSZSA-N 1 1 334.420 0.116 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068924045 791430302 /nfs/dbraw/zinc/43/03/02/791430302.db2.gz CLCGZFJUOGSCBW-OAHLLOKOSA-N 1 1 344.415 0.337 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068944643 791479200 /nfs/dbraw/zinc/47/92/00/791479200.db2.gz JXJXSWFLEAXXJE-ZIAGYGMSSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)CO2 ZINC001069040720 791637882 /nfs/dbraw/zinc/63/78/82/791637882.db2.gz QSWHMYJEOHGEEI-HZPDHXFCSA-N 1 1 347.459 0.760 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](CNc2nccnc2C#N)C1 ZINC001066691119 792001665 /nfs/dbraw/zinc/00/16/65/792001665.db2.gz LVAVAJHTFBUHQB-UKRRQHHQSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](CNc2ccncc2C#N)C1 ZINC001066691575 792005643 /nfs/dbraw/zinc/00/56/43/792005643.db2.gz WPGZRWVFDXCGHZ-DOTOQJQBSA-N 1 1 343.431 0.499 20 30 ECEDMO CCCC(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066697809 792014704 /nfs/dbraw/zinc/01/47/04/792014704.db2.gz DBAFYCWMKNQPIF-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO CO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066699298 792023358 /nfs/dbraw/zinc/02/33/58/792023358.db2.gz WTJLTWLZXHSHBN-RHSMWYFYSA-N 1 1 343.431 0.711 20 30 ECEDMO C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066702058 792031023 /nfs/dbraw/zinc/03/10/23/792031023.db2.gz AUCIJDUDMISVNR-FVQBIDKESA-N 1 1 340.431 0.727 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)CSCC#N ZINC001066872148 792244343 /nfs/dbraw/zinc/24/43/43/792244343.db2.gz XAMUPKWIJFSHIA-UHFFFAOYSA-N 1 1 328.482 0.892 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2ccnc(C#N)n2)C1 ZINC001066889956 792285837 /nfs/dbraw/zinc/28/58/37/792285837.db2.gz AHIITWZQHOWANW-SUMWQHHRSA-N 1 1 344.419 0.208 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3nccnc3C#N)C2)C1 ZINC001067853005 792373939 /nfs/dbraw/zinc/37/39/39/792373939.db2.gz VNSOVOLJMRVQNF-SSDMNJCBSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3nccnc3C#N)C2)C1 ZINC001067853005 792373949 /nfs/dbraw/zinc/37/39/49/792373949.db2.gz VNSOVOLJMRVQNF-SSDMNJCBSA-N 1 1 344.419 0.376 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(CNc3cncc(C#N)n3)C2)O1 ZINC001067899068 792445718 /nfs/dbraw/zinc/44/57/18/792445718.db2.gz HGPSXYUUZFPSKS-XZNOPERXSA-N 1 1 344.419 0.374 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(CNc3cncc(C#N)n3)C2)O1 ZINC001067899068 792445724 /nfs/dbraw/zinc/44/57/24/792445724.db2.gz HGPSXYUUZFPSKS-XZNOPERXSA-N 1 1 344.419 0.374 20 30 ECEDMO C=CCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001066988487 792517835 /nfs/dbraw/zinc/51/78/35/792517835.db2.gz ONPBVOCJBCSFEL-HUUCEWRRSA-N 1 1 325.453 0.979 20 30 ECEDMO C=CCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001066988487 792517846 /nfs/dbraw/zinc/51/78/46/792517846.db2.gz ONPBVOCJBCSFEL-HUUCEWRRSA-N 1 1 325.453 0.979 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC1(C)C ZINC001068112249 792692444 /nfs/dbraw/zinc/69/24/44/792692444.db2.gz MJGIKBPXMNILLV-AWEZNQCLSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(c3cnc(C#N)cn3)CC2(C)C)C1 ZINC001068113861 792694369 /nfs/dbraw/zinc/69/43/69/792694369.db2.gz TXGWSLLJGQPKIT-OCCSQVGLSA-N 1 1 328.420 0.631 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(c3cnc(C#N)cn3)CC2(C)C)C1 ZINC001068113860 792694409 /nfs/dbraw/zinc/69/44/09/792694409.db2.gz TXGWSLLJGQPKIT-JSGCOSHPSA-N 1 1 328.420 0.631 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC001068157497 792757142 /nfs/dbraw/zinc/75/71/42/792757142.db2.gz GMVHNNTVFGJRBW-WCXIOVBPSA-N 1 1 325.416 0.846 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H](Nc2cncc(C#N)n2)C1 ZINC001067167484 792770568 /nfs/dbraw/zinc/77/05/68/792770568.db2.gz ZYQXRMIKMDSKIK-SMDDNHRTSA-N 1 1 325.376 0.812 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)C1 ZINC001068176077 792788786 /nfs/dbraw/zinc/78/87/86/792788786.db2.gz ZMMSFQOTAPFESU-CYUUQNCZSA-N 1 1 326.404 0.098 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001068189832 792811237 /nfs/dbraw/zinc/81/12/37/792811237.db2.gz JLQCSYMIHXXSEB-JONQDZQNSA-N 1 1 340.431 0.631 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C1=CCOCC1 ZINC001067257199 792899705 /nfs/dbraw/zinc/89/97/05/792899705.db2.gz IGYLSDORIVKPTD-KRWDZBQOSA-N 1 1 347.459 0.738 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C1=CCOCC1 ZINC001067257199 792899712 /nfs/dbraw/zinc/89/97/12/792899712.db2.gz IGYLSDORIVKPTD-KRWDZBQOSA-N 1 1 347.459 0.738 20 30 ECEDMO C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001067289245 792941230 /nfs/dbraw/zinc/94/12/30/792941230.db2.gz NJNQGVFUQYOAGJ-IRXDYDNUSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CC1(O)CCC1 ZINC001067367735 793045044 /nfs/dbraw/zinc/04/50/44/793045044.db2.gz IMEGHORYPNCVIA-INIZCTEOSA-N 1 1 349.475 0.696 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CC1(O)CCC1 ZINC001067367735 793045055 /nfs/dbraw/zinc/04/50/55/793045055.db2.gz IMEGHORYPNCVIA-INIZCTEOSA-N 1 1 349.475 0.696 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCOC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068409106 793249671 /nfs/dbraw/zinc/24/96/71/793249671.db2.gz URLWQPOAZDYDSX-UHFFFAOYSA-N 1 1 349.475 0.816 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CC[NH2+]Cc1nnc(C)s1 ZINC001267436156 837413388 /nfs/dbraw/zinc/41/33/88/837413388.db2.gz BVOYQQXIYNWYAA-CYBMUJFWSA-N 1 1 339.465 0.865 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001267466816 837473471 /nfs/dbraw/zinc/47/34/71/837473471.db2.gz RIHJGLPQHIMLHF-OAHLLOKOSA-N 1 1 333.432 0.862 20 30 ECEDMO CN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CCCN1C(N)=O ZINC001267477208 837510982 /nfs/dbraw/zinc/51/09/82/837510982.db2.gz CMSXGUYKPREEPW-HNNXBMFYSA-N 1 1 347.394 0.788 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCS(N)(=O)=O)C1 ZINC001267483146 837539117 /nfs/dbraw/zinc/53/91/17/837539117.db2.gz ZKDBCMNSWQHMFY-CQSZACIVSA-N 1 1 331.482 0.944 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccncc2)C1 ZINC001267501518 837576035 /nfs/dbraw/zinc/57/60/35/837576035.db2.gz LZUSDZGYJWQOKD-GJZGRUSLSA-N 1 1 328.416 0.661 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCCO1)c1ccccc1 ZINC001267516984 837610790 /nfs/dbraw/zinc/61/07/90/837610790.db2.gz IHRWCWLKVAGVGL-HUUCEWRRSA-N 1 1 330.388 0.252 20 30 ECEDMO C=CCOCC(=O)N(CCC)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267538943 837721531 /nfs/dbraw/zinc/72/15/31/837721531.db2.gz QOEXNDJTFZDKHQ-KGLIPLIRSA-N 1 1 337.420 0.307 20 30 ECEDMO C=CCOCC(=O)N(CCC)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267538943 837721540 /nfs/dbraw/zinc/72/15/40/837721540.db2.gz QOEXNDJTFZDKHQ-KGLIPLIRSA-N 1 1 337.420 0.307 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccn(C)c2)C1 ZINC001267541094 837726006 /nfs/dbraw/zinc/72/60/06/837726006.db2.gz VNMATDATNJDKFI-INIZCTEOSA-N 1 1 330.432 0.701 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccn(C)c2)C1 ZINC001267541094 837726011 /nfs/dbraw/zinc/72/60/11/837726011.db2.gz VNMATDATNJDKFI-INIZCTEOSA-N 1 1 330.432 0.701 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CN2CCCS2(=O)=O)C1 ZINC001267542306 837729481 /nfs/dbraw/zinc/72/94/81/837729481.db2.gz TZVPGZRWODHVSY-HNNXBMFYSA-N 1 1 341.477 0.358 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267543340 837730559 /nfs/dbraw/zinc/73/05/59/837730559.db2.gz FVIXXENZMOWUTL-HNNXBMFYSA-N 1 1 339.403 0.617 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001267543340 837730561 /nfs/dbraw/zinc/73/05/61/837730561.db2.gz FVIXXENZMOWUTL-HNNXBMFYSA-N 1 1 339.403 0.617 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001267544134 837732398 /nfs/dbraw/zinc/73/23/98/837732398.db2.gz JEBQDGJTRAWSQF-IAGOWNOFSA-N 1 1 344.459 0.924 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001267548861 837746564 /nfs/dbraw/zinc/74/65/64/837746564.db2.gz OBMAAZUECMEOJB-CQSZACIVSA-N 1 1 334.420 0.217 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)c2cc(C3CC3)on2)C1 ZINC001267551747 837752709 /nfs/dbraw/zinc/75/27/09/837752709.db2.gz HNBKMVMIHDQBCE-GFCCVEGCSA-N 1 1 345.403 0.634 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C)C1 ZINC001267557729 837766480 /nfs/dbraw/zinc/76/64/80/837766480.db2.gz LLRANSNOJGUCCU-HOTGVXAUSA-N 1 1 334.464 0.048 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C)C1 ZINC001267557729 837766484 /nfs/dbraw/zinc/76/64/84/837766484.db2.gz LLRANSNOJGUCCU-HOTGVXAUSA-N 1 1 334.464 0.048 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)c1 ZINC001267564472 837778867 /nfs/dbraw/zinc/77/88/67/837778867.db2.gz BLPALCPUPZDFIW-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccccc1CC(=O)NCC[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001267567214 837785991 /nfs/dbraw/zinc/78/59/91/837785991.db2.gz MPOABMQBUPCUKN-OAHLLOKOSA-N 1 1 327.428 0.785 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001267569920 837799288 /nfs/dbraw/zinc/79/92/88/837799288.db2.gz FPLJSBSHCDOIRN-CRAIPNDOSA-N 1 1 339.439 0.904 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267571816 837805313 /nfs/dbraw/zinc/80/53/13/837805313.db2.gz UAZICKVKAAXVAC-RYUDHWBXSA-N 1 1 327.812 0.620 20 30 ECEDMO C=CCC[C@@H](C)[NH+]1CCN(CCN(C)C(=O)Cc2ncn[nH]2)CC1 ZINC001267576136 837829483 /nfs/dbraw/zinc/82/94/83/837829483.db2.gz RVUCKSZVCOGBEC-OAHLLOKOSA-N 1 1 334.468 0.778 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cc(C)cs1 ZINC001266270932 835591991 /nfs/dbraw/zinc/59/19/91/835591991.db2.gz DHHLWCBVIHVTKQ-UHFFFAOYSA-N 1 1 338.433 0.730 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cc(C)cs1 ZINC001266270932 835591998 /nfs/dbraw/zinc/59/19/98/835591998.db2.gz DHHLWCBVIHVTKQ-UHFFFAOYSA-N 1 1 338.433 0.730 20 30 ECEDMO C=C(C)CN1CC[NH+](CCCNC(=O)c2ccc(C(N)=O)cn2)CC1 ZINC001266279168 835606256 /nfs/dbraw/zinc/60/62/56/835606256.db2.gz GMLFQUJMOPCLBB-UHFFFAOYSA-N 1 1 345.447 0.494 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001266313042 835680844 /nfs/dbraw/zinc/68/08/44/835680844.db2.gz DZCCBROCIFLDLO-KBPBESRZSA-N 1 1 338.452 0.125 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001266313042 835680849 /nfs/dbraw/zinc/68/08/49/835680849.db2.gz DZCCBROCIFLDLO-KBPBESRZSA-N 1 1 338.452 0.125 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001266322935 835697962 /nfs/dbraw/zinc/69/79/62/835697962.db2.gz QKUFNOMLOFHANP-RHSMWYFYSA-N 1 1 341.411 0.354 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001266322935 835697968 /nfs/dbraw/zinc/69/79/68/835697968.db2.gz QKUFNOMLOFHANP-RHSMWYFYSA-N 1 1 341.411 0.354 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[N@@H+](C)CCCO[C@@H]2CCOC2)c1 ZINC001266324225 835700208 /nfs/dbraw/zinc/70/02/08/835700208.db2.gz YTBMEJVHJOKPKU-QGZVFWFLSA-N 1 1 331.416 0.920 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ocnc1C(F)F ZINC001266327065 835705765 /nfs/dbraw/zinc/70/57/65/835705765.db2.gz WFZIZSNOJZXBMI-SECBINFHSA-N 1 1 328.319 0.412 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ocnc1C(F)F ZINC001266327065 835705770 /nfs/dbraw/zinc/70/57/70/835705770.db2.gz WFZIZSNOJZXBMI-SECBINFHSA-N 1 1 328.319 0.412 20 30 ECEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001266327013 835705875 /nfs/dbraw/zinc/70/58/75/835705875.db2.gz UPXNIHOBJYMNSC-CABCVRRESA-N 1 1 333.819 0.861 20 30 ECEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001266327013 835705879 /nfs/dbraw/zinc/70/58/79/835705879.db2.gz UPXNIHOBJYMNSC-CABCVRRESA-N 1 1 333.819 0.861 20 30 ECEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001266332989 835714580 /nfs/dbraw/zinc/71/45/80/835714580.db2.gz DXWLADTVWLZEJT-KGLIPLIRSA-N 1 1 343.493 0.671 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001266343056 835730527 /nfs/dbraw/zinc/73/05/27/835730527.db2.gz XNVIDSCICBZPSU-ZIAGYGMSSA-N 1 1 334.424 0.019 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO[C@H]3CCOC3)C2)nn1 ZINC001266347701 835740301 /nfs/dbraw/zinc/74/03/01/835740301.db2.gz RPTBQPXAJREEED-CABCVRRESA-N 1 1 349.435 0.464 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)Oc1ccccc1 ZINC001266354797 835758050 /nfs/dbraw/zinc/75/80/50/835758050.db2.gz NRVDTXVWYXRGJH-HUUCEWRRSA-N 1 1 331.416 0.640 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Oc1ccccc1 ZINC001266354797 835758053 /nfs/dbraw/zinc/75/80/53/835758053.db2.gz NRVDTXVWYXRGJH-HUUCEWRRSA-N 1 1 331.416 0.640 20 30 ECEDMO C[N@@H+](CC#Cc1ccccc1)CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001266356458 835761183 /nfs/dbraw/zinc/76/11/83/835761183.db2.gz DRZUYWNVOAULSH-OAHLLOKOSA-N 1 1 342.399 0.074 20 30 ECEDMO C[N@H+](CC#Cc1ccccc1)CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001266356458 835761190 /nfs/dbraw/zinc/76/11/90/835761190.db2.gz DRZUYWNVOAULSH-OAHLLOKOSA-N 1 1 342.399 0.074 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1csc2nccn12 ZINC001266357801 835763666 /nfs/dbraw/zinc/76/36/66/835763666.db2.gz GMKQRXYJVRXTOY-GFCCVEGCSA-N 1 1 349.460 0.677 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1csc2nccn12 ZINC001266357801 835763673 /nfs/dbraw/zinc/76/36/73/835763673.db2.gz GMKQRXYJVRXTOY-GFCCVEGCSA-N 1 1 349.460 0.677 20 30 ECEDMO Cc1ccc(C(=O)N[C@@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)nn1 ZINC001266370383 835782307 /nfs/dbraw/zinc/78/23/07/835782307.db2.gz DIBAPKSPMNELOZ-CQSZACIVSA-N 1 1 342.403 0.009 20 30 ECEDMO CC[N@H+](CCNC(=O)C#CC(C)C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001266387863 835796319 /nfs/dbraw/zinc/79/63/19/835796319.db2.gz JQHYVVBZXQQFBR-HOTGVXAUSA-N 1 1 337.464 0.768 20 30 ECEDMO CC[N@@H+](CCNC(=O)C#CC(C)C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001266387863 835796329 /nfs/dbraw/zinc/79/63/29/835796329.db2.gz JQHYVVBZXQQFBR-HOTGVXAUSA-N 1 1 337.464 0.768 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CC)CC(=O)NC(=O)NCC)cc1 ZINC001266408639 835813610 /nfs/dbraw/zinc/81/36/10/835813610.db2.gz OQTLPTISYOMPEN-UHFFFAOYSA-N 1 1 344.415 0.565 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC)CC(=O)NC(=O)NCC)cc1 ZINC001266408639 835813615 /nfs/dbraw/zinc/81/36/15/835813615.db2.gz OQTLPTISYOMPEN-UHFFFAOYSA-N 1 1 344.415 0.565 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N1CCN(C(=O)CSCC#N)CC1 ZINC001282852971 835846743 /nfs/dbraw/zinc/84/67/43/835846743.db2.gz FMGNETXURUPLPI-UHFFFAOYSA-N 1 1 349.460 0.899 20 30 ECEDMO Cc1ncc(C(=O)N2CCC[C@H](C[N@H+](C)CC(=O)NCC#N)C2)s1 ZINC001266452075 835854837 /nfs/dbraw/zinc/85/48/37/835854837.db2.gz JXHLHVBVVGMDCE-CYBMUJFWSA-N 1 1 349.460 0.875 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 ZINC001266452925 835856921 /nfs/dbraw/zinc/85/69/21/835856921.db2.gz TYDIOSVNWVNXGP-HUUCEWRRSA-N 1 1 336.436 0.366 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1nccn1CC ZINC001266457260 835860199 /nfs/dbraw/zinc/86/01/99/835860199.db2.gz ICWUNLJGZQZBRH-UONOGXRCSA-N 1 1 333.436 0.788 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1nccn1CC ZINC001266457260 835860208 /nfs/dbraw/zinc/86/02/08/835860208.db2.gz ICWUNLJGZQZBRH-UONOGXRCSA-N 1 1 333.436 0.788 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2cnc(C)o2)C1 ZINC001266459327 835862026 /nfs/dbraw/zinc/86/20/26/835862026.db2.gz OCLGDRBQZQSYDV-OAHLLOKOSA-N 1 1 348.447 0.998 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001266459857 835862462 /nfs/dbraw/zinc/86/24/62/835862462.db2.gz UOFLNTTVDQHNEQ-JKSUJKDBSA-N 1 1 335.448 0.333 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn2c1CCC2 ZINC001266467875 835868531 /nfs/dbraw/zinc/86/85/31/835868531.db2.gz FUPBYTWFQGMZDH-ZIAGYGMSSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cnn2c1CCC2 ZINC001266467875 835868535 /nfs/dbraw/zinc/86/85/35/835868535.db2.gz FUPBYTWFQGMZDH-ZIAGYGMSSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn2c1CCC2 ZINC001266467874 835869107 /nfs/dbraw/zinc/86/91/07/835869107.db2.gz FUPBYTWFQGMZDH-UONOGXRCSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cnn2c1CCC2 ZINC001266467874 835869115 /nfs/dbraw/zinc/86/91/15/835869115.db2.gz FUPBYTWFQGMZDH-UONOGXRCSA-N 1 1 345.447 0.714 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001266479771 835881141 /nfs/dbraw/zinc/88/11/41/835881141.db2.gz CLMRMZLLGVQIPV-VXGBXAGGSA-N 1 1 335.408 0.011 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001266479771 835881149 /nfs/dbraw/zinc/88/11/49/835881149.db2.gz CLMRMZLLGVQIPV-VXGBXAGGSA-N 1 1 335.408 0.011 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C(F)F ZINC001266482656 835882917 /nfs/dbraw/zinc/88/29/17/835882917.db2.gz FZZIYWUDISWKTK-VXGBXAGGSA-N 1 1 329.391 0.996 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C(F)F ZINC001266482656 835882925 /nfs/dbraw/zinc/88/29/25/835882925.db2.gz FZZIYWUDISWKTK-VXGBXAGGSA-N 1 1 329.391 0.996 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001266489122 835889563 /nfs/dbraw/zinc/88/95/63/835889563.db2.gz XCPZPRWAYRGDBF-UONOGXRCSA-N 1 1 338.452 0.300 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@H]1CCC[N@@H+]1C[C@@H](O)COC ZINC001266492000 835891772 /nfs/dbraw/zinc/89/17/72/835891772.db2.gz FWQIXXWOAQJRLM-QZTJIDSGSA-N 1 1 330.428 0.798 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)n[nH]c1C ZINC001266495595 835895914 /nfs/dbraw/zinc/89/59/14/835895914.db2.gz PKZQXRSUASSTQT-LSDHHAIUSA-N 1 1 347.463 0.840 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)n[nH]c1C ZINC001266495595 835895918 /nfs/dbraw/zinc/89/59/18/835895918.db2.gz PKZQXRSUASSTQT-LSDHHAIUSA-N 1 1 347.463 0.840 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001266513768 835924164 /nfs/dbraw/zinc/92/41/64/835924164.db2.gz GNKAUUFMAUOKNZ-GJZGRUSLSA-N 1 1 340.489 0.909 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C2(F)CCOCC2)C1 ZINC001266517538 835928425 /nfs/dbraw/zinc/92/84/25/835928425.db2.gz KTTYAPFFBLNXOR-UONOGXRCSA-N 1 1 339.411 0.081 20 30 ECEDMO CC(C)Cn1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001266517757 835929373 /nfs/dbraw/zinc/92/93/73/835929373.db2.gz MXDNSZQTWWEFIZ-AWEZNQCLSA-N 1 1 346.435 0.231 20 30 ECEDMO CC(C)Cn1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001266517757 835929379 /nfs/dbraw/zinc/92/93/79/835929379.db2.gz MXDNSZQTWWEFIZ-AWEZNQCLSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC001266518342 835930702 /nfs/dbraw/zinc/93/07/02/835930702.db2.gz YZWSTBWIAZSUCV-ZIAGYGMSSA-N 1 1 345.447 0.572 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC001266520820 835934121 /nfs/dbraw/zinc/93/41/21/835934121.db2.gz UKHYGHFGUAHZAG-CQSZACIVSA-N 1 1 334.420 0.920 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc3ncccc3o2)C1 ZINC001266523515 835938824 /nfs/dbraw/zinc/93/88/24/835938824.db2.gz PNJIGBJCPLHSGE-CYBMUJFWSA-N 1 1 340.383 0.629 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC001266524958 835940206 /nfs/dbraw/zinc/94/02/06/835940206.db2.gz AXENBORPVXBFBW-KGLIPLIRSA-N 1 1 346.431 0.833 20 30 ECEDMO Cc1sccc1CC(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266536966 835955879 /nfs/dbraw/zinc/95/58/79/835955879.db2.gz BQXHYTTWKFMEBJ-ZDUSSCGKSA-N 1 1 334.445 0.677 20 30 ECEDMO Cc1sccc1CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266536966 835955881 /nfs/dbraw/zinc/95/58/81/835955881.db2.gz BQXHYTTWKFMEBJ-ZDUSSCGKSA-N 1 1 334.445 0.677 20 30 ECEDMO C=C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)c1ccccc1 ZINC001266549314 835972901 /nfs/dbraw/zinc/97/29/01/835972901.db2.gz SMBSTTRUDUFLCM-DZGCQCFKSA-N 1 1 344.415 0.589 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266549628 835973889 /nfs/dbraw/zinc/97/38/89/835973889.db2.gz ZLZYYWFVGMAJCQ-KBPBESRZSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CCNC(=O)[C@@H](C)N(CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266560378 835988516 /nfs/dbraw/zinc/98/85/16/835988516.db2.gz JYVRTQWTUQMAMJ-NVXWUHKLSA-N 1 1 348.491 0.294 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001266575171 836004581 /nfs/dbraw/zinc/00/45/81/836004581.db2.gz FLRAERMJDUVBBE-SFHVURJKSA-N 1 1 337.464 0.723 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001266577302 836006491 /nfs/dbraw/zinc/00/64/91/836006491.db2.gz FYHOHKKOTPBLHM-UHFFFAOYSA-N 1 1 348.447 0.820 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCNC(=O)/C(C)=C\C)C1CC1 ZINC001266588317 836018727 /nfs/dbraw/zinc/01/87/27/836018727.db2.gz NBQLSPMWJIGAPT-MVXISAMASA-N 1 1 336.436 0.934 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCNC(=O)/C(C)=C\C)C1CC1 ZINC001266588317 836018735 /nfs/dbraw/zinc/01/87/35/836018735.db2.gz NBQLSPMWJIGAPT-MVXISAMASA-N 1 1 336.436 0.934 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001266593184 836024274 /nfs/dbraw/zinc/02/42/74/836024274.db2.gz AFJQZONUNLBHCV-AAVRWANBSA-N 1 1 343.431 0.204 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1occ2c1CCOC2)C1CC1 ZINC001266604925 836039577 /nfs/dbraw/zinc/03/95/77/836039577.db2.gz VZEQKFRIXOOBJE-UHFFFAOYSA-N 1 1 347.415 0.849 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1occ2c1CCOC2)C1CC1 ZINC001266604925 836039588 /nfs/dbraw/zinc/03/95/88/836039588.db2.gz VZEQKFRIXOOBJE-UHFFFAOYSA-N 1 1 347.415 0.849 20 30 ECEDMO O=C(C#CC1CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001266648416 836083842 /nfs/dbraw/zinc/08/38/42/836083842.db2.gz ZCXQGVFGJDDGQQ-FBVQUNGASA-N 1 1 342.443 0.769 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C(C)=O)C1 ZINC001266655550 836091438 /nfs/dbraw/zinc/09/14/38/836091438.db2.gz BDZYZVHFUAKLNU-IAGOWNOFSA-N 1 1 335.448 0.427 20 30 ECEDMO CC(=O)N[C@@H](CS)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398266958 836093513 /nfs/dbraw/zinc/09/35/13/836093513.db2.gz WLBSUCQACYQSRK-XUWVNRHRSA-N 1 1 333.457 0.668 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2n[nH]cc2F)C1 ZINC001266658844 836094191 /nfs/dbraw/zinc/09/41/91/836094191.db2.gz JAVCMHQCLUCOEF-JSGCOSHPSA-N 1 1 347.394 0.225 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2nc[nH]n2)C1 ZINC001266664127 836101348 /nfs/dbraw/zinc/10/13/48/836101348.db2.gz VNHMQGUKHGVVQB-QWHCGFSZSA-N 1 1 332.408 0.033 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001266686114 836141617 /nfs/dbraw/zinc/14/16/17/836141617.db2.gz RWJPSFQRALYFJA-BETUJISGSA-N 1 1 334.424 0.205 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001266718802 836194851 /nfs/dbraw/zinc/19/48/51/836194851.db2.gz FLFHGCGPCCUXJA-UPJWGTAASA-N 1 1 334.424 0.468 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001266718802 836194858 /nfs/dbraw/zinc/19/48/58/836194858.db2.gz FLFHGCGPCCUXJA-UPJWGTAASA-N 1 1 334.424 0.468 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cn(CC2CC2)nn1 ZINC001266728732 836206587 /nfs/dbraw/zinc/20/65/87/836206587.db2.gz JLQCKCWDGUQQSK-KRWDZBQOSA-N 1 1 344.463 0.334 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cn(CC2CC2)nn1 ZINC001266728732 836206591 /nfs/dbraw/zinc/20/65/91/836206591.db2.gz JLQCKCWDGUQQSK-KRWDZBQOSA-N 1 1 344.463 0.334 20 30 ECEDMO C=CCC1(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)CCOCC1 ZINC001266728345 836207124 /nfs/dbraw/zinc/20/71/24/836207124.db2.gz UGAMGHJBJAZZRO-MELADBBJSA-N 1 1 348.451 0.881 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccn2)C1 ZINC001266737313 836219916 /nfs/dbraw/zinc/21/99/16/836219916.db2.gz QRDAMGVBIKGMHO-CABCVRRESA-N 1 1 328.416 0.661 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001266751059 836242564 /nfs/dbraw/zinc/24/25/64/836242564.db2.gz BBRGSVXFEDADSQ-IRXDYDNUSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266751059 836242568 /nfs/dbraw/zinc/24/25/68/836242568.db2.gz BBRGSVXFEDADSQ-IRXDYDNUSA-N 1 1 348.491 0.438 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(OC)n2)C1 ZINC001266755705 836249106 /nfs/dbraw/zinc/24/91/06/836249106.db2.gz SQUNSYNDZCMWFC-ZDUSSCGKSA-N 1 1 347.419 0.229 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001266755294 836249199 /nfs/dbraw/zinc/24/91/99/836249199.db2.gz OTDRBDRXYGNXQK-UONOGXRCSA-N 1 1 333.436 0.851 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)Cn2nccc2C)C1 ZINC001266764557 836267820 /nfs/dbraw/zinc/26/78/20/836267820.db2.gz RZHJLYNTPQHUAM-JKSUJKDBSA-N 1 1 347.463 0.710 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001266765074 836269886 /nfs/dbraw/zinc/26/98/86/836269886.db2.gz YNCDVAKEHKYURL-HNNXBMFYSA-N 1 1 346.435 0.030 20 30 ECEDMO CN(CC[NH2+]Cc1ccc(F)c(C#N)c1)C(=O)CCc1c[nH]nn1 ZINC001266839068 836364335 /nfs/dbraw/zinc/36/43/35/836364335.db2.gz KMZGRIMTORMMRY-UHFFFAOYSA-N 1 1 330.367 0.996 20 30 ECEDMO CN(CC[NH2+]Cc1ccc(F)c(C#N)c1)C(=O)CCc1cnn[nH]1 ZINC001266839068 836364343 /nfs/dbraw/zinc/36/43/43/836364343.db2.gz KMZGRIMTORMMRY-UHFFFAOYSA-N 1 1 330.367 0.996 20 30 ECEDMO C#CCCCCCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC001266849995 836381477 /nfs/dbraw/zinc/38/14/77/836381477.db2.gz RMPPOASQSQFXHC-CQSZACIVSA-N 1 1 336.436 0.736 20 30 ECEDMO C#CCCCCCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC001266849995 836381490 /nfs/dbraw/zinc/38/14/90/836381490.db2.gz RMPPOASQSQFXHC-CQSZACIVSA-N 1 1 336.436 0.736 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001266855478 836390028 /nfs/dbraw/zinc/39/00/28/836390028.db2.gz CSCVXZJFPMOJOY-ZDUSSCGKSA-N 1 1 329.466 0.308 20 30 ECEDMO C[C@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001266890616 836438050 /nfs/dbraw/zinc/43/80/50/836438050.db2.gz KUAVNVABQPFROB-RDJZCZTQSA-N 1 1 347.459 0.475 20 30 ECEDMO C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001266890615 836438181 /nfs/dbraw/zinc/43/81/81/836438181.db2.gz KUAVNVABQPFROB-NVXWUHKLSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccnc(F)c2)C1 ZINC001266890051 836438848 /nfs/dbraw/zinc/43/88/48/836438848.db2.gz LQNICKKTFWXIGK-UKRRQHHQSA-N 1 1 346.406 0.800 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2coc(OC)n2)C1 ZINC001266892723 836441978 /nfs/dbraw/zinc/44/19/78/836441978.db2.gz XDGFDGGGKMAOAP-QWHCGFSZSA-N 1 1 348.403 0.263 20 30 ECEDMO CC(C)C#CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001266892423 836442313 /nfs/dbraw/zinc/44/23/13/836442313.db2.gz VPQIRRFKZSEKDW-SJORKVTESA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(C)(F)F ZINC001266903379 836459281 /nfs/dbraw/zinc/45/92/81/836459281.db2.gz IGYOCSZDMYAELJ-JZRPKSSGSA-N 1 1 327.375 0.462 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001266903792 836459515 /nfs/dbraw/zinc/45/95/15/836459515.db2.gz XYQWEDPYGPCGTP-IMSKVBIZSA-N 1 1 332.448 0.893 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](C)C1 ZINC001266904498 836460891 /nfs/dbraw/zinc/46/08/91/836460891.db2.gz LXVOIVPZEKYQTA-GRYWWWGRSA-N 1 1 348.447 0.481 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](C)C1 ZINC001266904498 836460896 /nfs/dbraw/zinc/46/08/96/836460896.db2.gz LXVOIVPZEKYQTA-GRYWWWGRSA-N 1 1 348.447 0.481 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H](C(C)C)C1 ZINC001266904751 836461058 /nfs/dbraw/zinc/46/10/58/836461058.db2.gz HREWQNLXADQMLQ-LFRCEIEQSA-N 1 1 347.459 0.233 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H](C(C)C)C1 ZINC001266904751 836461062 /nfs/dbraw/zinc/46/10/62/836461062.db2.gz HREWQNLXADQMLQ-LFRCEIEQSA-N 1 1 347.459 0.233 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@H](CCC)C1 ZINC001266904915 836462283 /nfs/dbraw/zinc/46/22/83/836462283.db2.gz YWZMBVVZAHUZFL-IMSKVBIZSA-N 1 1 347.459 0.378 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@H](CCC)C1 ZINC001266904915 836462285 /nfs/dbraw/zinc/46/22/85/836462285.db2.gz YWZMBVVZAHUZFL-IMSKVBIZSA-N 1 1 347.459 0.378 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)COCC1CC1 ZINC001279540041 836477795 /nfs/dbraw/zinc/47/77/95/836477795.db2.gz GBIKVTQGNNKYOW-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)COCC1CC1 ZINC001279540041 836477805 /nfs/dbraw/zinc/47/78/05/836477805.db2.gz GBIKVTQGNNKYOW-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001266983410 836562406 /nfs/dbraw/zinc/56/24/06/836562406.db2.gz NVSOHIZDTWGNLY-NSHDSACASA-N 1 1 331.380 0.078 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2cnns2)C1 ZINC001267100589 836771612 /nfs/dbraw/zinc/77/16/12/836771612.db2.gz LMYGNPXTCLPWAZ-NEPJUHHUSA-N 1 1 335.433 0.212 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001267102858 836776405 /nfs/dbraw/zinc/77/64/05/836776405.db2.gz OLHSTHMUSCCFHC-BBRMVZONSA-N 1 1 341.415 0.561 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cncc2C)C1 ZINC001267107516 836789508 /nfs/dbraw/zinc/78/95/08/836789508.db2.gz DYGVFBODKWBLMS-HZPDHXFCSA-N 1 1 345.447 0.252 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)cnn2C)C1 ZINC001267108347 836791368 /nfs/dbraw/zinc/79/13/68/836791368.db2.gz MZNWTPWSAQXYGL-GJZGRUSLSA-N 1 1 347.463 0.956 20 30 ECEDMO C=CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001267109416 836793438 /nfs/dbraw/zinc/79/34/38/836793438.db2.gz YJOONLZVCZBQLB-LSDHHAIUSA-N 1 1 344.477 0.547 20 30 ECEDMO C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001267109416 836793445 /nfs/dbraw/zinc/79/34/45/836793445.db2.gz YJOONLZVCZBQLB-LSDHHAIUSA-N 1 1 344.477 0.547 20 30 ECEDMO COCCC[C@H](C)C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267113451 836803844 /nfs/dbraw/zinc/80/38/44/836803844.db2.gz LKEGIGSHNBYENS-GJZGRUSLSA-N 1 1 338.452 0.612 20 30 ECEDMO COCCC[C@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267113451 836803859 /nfs/dbraw/zinc/80/38/59/836803859.db2.gz LKEGIGSHNBYENS-GJZGRUSLSA-N 1 1 338.452 0.612 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC2(F)F)CC1 ZINC001279583441 836841428 /nfs/dbraw/zinc/84/14/28/836841428.db2.gz YSYNIECXTKGLDM-ZDUSSCGKSA-N 1 1 325.359 0.529 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC2(F)F)CC1 ZINC001279583441 836841434 /nfs/dbraw/zinc/84/14/34/836841434.db2.gz YSYNIECXTKGLDM-ZDUSSCGKSA-N 1 1 325.359 0.529 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCCO1 ZINC001267164584 836885116 /nfs/dbraw/zinc/88/51/16/836885116.db2.gz GFRUSWUWJILKSJ-HOTGVXAUSA-N 1 1 335.448 0.666 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[C@H]2CCC[N@@H+]2CC(=O)N(C)C)nn1 ZINC001267178138 836922073 /nfs/dbraw/zinc/92/20/73/836922073.db2.gz QMKOLUJALCSELH-AWEZNQCLSA-N 1 1 348.451 0.527 20 30 ECEDMO CCCCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001267192979 836956148 /nfs/dbraw/zinc/95/61/48/836956148.db2.gz VTUFYMKHDXYBHH-UHFFFAOYSA-N 1 1 348.407 0.174 20 30 ECEDMO CCCCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001267192979 836956158 /nfs/dbraw/zinc/95/61/58/836956158.db2.gz VTUFYMKHDXYBHH-UHFFFAOYSA-N 1 1 348.407 0.174 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CC1CC(F)(F)C1 ZINC001267203186 836979949 /nfs/dbraw/zinc/97/99/49/836979949.db2.gz PLTHSLYXLTXBNR-UHFFFAOYSA-N 1 1 346.378 0.482 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CC1CC(F)(F)C1 ZINC001267203186 836979957 /nfs/dbraw/zinc/97/99/57/836979957.db2.gz PLTHSLYXLTXBNR-UHFFFAOYSA-N 1 1 346.378 0.482 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1c(C)nn(CC)c1C ZINC001267221586 837014001 /nfs/dbraw/zinc/01/40/01/837014001.db2.gz NQMYQLPQWYXCHD-CQSZACIVSA-N 1 1 333.436 0.319 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1c(C)nn(CC)c1C ZINC001267221586 837014013 /nfs/dbraw/zinc/01/40/13/837014013.db2.gz NQMYQLPQWYXCHD-CQSZACIVSA-N 1 1 333.436 0.319 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@@H+](CC)CC(=O)N1CCCC[C@H]1C ZINC001267241300 837048690 /nfs/dbraw/zinc/04/86/90/837048690.db2.gz RGXSZRKFXIMTHV-CVEARBPZSA-N 1 1 337.464 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[N@H+](CC)CC(=O)N1CCCC[C@H]1C ZINC001267241300 837048698 /nfs/dbraw/zinc/04/86/98/837048698.db2.gz RGXSZRKFXIMTHV-CVEARBPZSA-N 1 1 337.464 0.864 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)Cn1ccc(C(F)F)n1 ZINC001267242806 837053417 /nfs/dbraw/zinc/05/34/17/837053417.db2.gz ZBSQAPFODNPLJC-UHFFFAOYSA-N 1 1 328.363 0.909 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1COc2ccccc2C1 ZINC001267245648 837059734 /nfs/dbraw/zinc/05/97/34/837059734.db2.gz PHRKQZNBPMHLNI-INIZCTEOSA-N 1 1 343.427 0.425 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1COc2ccccc2C1 ZINC001267245648 837059748 /nfs/dbraw/zinc/05/97/48/837059748.db2.gz PHRKQZNBPMHLNI-INIZCTEOSA-N 1 1 343.427 0.425 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)Cc1c[nH]c2cnccc12 ZINC001267248827 837066715 /nfs/dbraw/zinc/06/67/15/837066715.db2.gz HSDITLLIQDCDSM-UHFFFAOYSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)Cc1c[nH]c2cnccc12 ZINC001267248827 837066718 /nfs/dbraw/zinc/06/67/18/837066718.db2.gz HSDITLLIQDCDSM-UHFFFAOYSA-N 1 1 341.415 0.293 20 30 ECEDMO C=CCNC(=O)CN(CC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267249056 837066843 /nfs/dbraw/zinc/06/68/43/837066843.db2.gz NAZSLFIAKRKGQO-OAHLLOKOSA-N 1 1 347.463 0.494 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)C1Cc2ccccc2C1 ZINC001267250974 837069167 /nfs/dbraw/zinc/06/91/67/837069167.db2.gz QLPDHEMFRKAQPF-UHFFFAOYSA-N 1 1 327.428 0.589 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)C1Cc2ccccc2C1 ZINC001267250974 837069174 /nfs/dbraw/zinc/06/91/74/837069174.db2.gz QLPDHEMFRKAQPF-UHFFFAOYSA-N 1 1 327.428 0.589 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001267262315 837093538 /nfs/dbraw/zinc/09/35/38/837093538.db2.gz ZNUMKYIMEKUPNN-DZGCQCFKSA-N 1 1 332.404 0.205 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001267262315 837093551 /nfs/dbraw/zinc/09/35/51/837093551.db2.gz ZNUMKYIMEKUPNN-DZGCQCFKSA-N 1 1 332.404 0.205 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@H]1CCC[N@@H+]1CCNS(C)(=O)=O ZINC001267266752 837103882 /nfs/dbraw/zinc/10/38/82/837103882.db2.gz IFQQYFLRTVHHTD-CYBMUJFWSA-N 1 1 329.466 0.166 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@H]1CCC[N@H+]1CCNS(C)(=O)=O ZINC001267266752 837103887 /nfs/dbraw/zinc/10/38/87/837103887.db2.gz IFQQYFLRTVHHTD-CYBMUJFWSA-N 1 1 329.466 0.166 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001267267503 837105011 /nfs/dbraw/zinc/10/50/11/837105011.db2.gz REFDGGOTABPVRV-MNOVXSKESA-N 1 1 344.362 0.234 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001267267503 837105015 /nfs/dbraw/zinc/10/50/15/837105015.db2.gz REFDGGOTABPVRV-MNOVXSKESA-N 1 1 344.362 0.234 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001267267505 837106141 /nfs/dbraw/zinc/10/61/41/837106141.db2.gz REFDGGOTABPVRV-QWRGUYRKSA-N 1 1 344.362 0.234 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001267267505 837106146 /nfs/dbraw/zinc/10/61/46/837106146.db2.gz REFDGGOTABPVRV-QWRGUYRKSA-N 1 1 344.362 0.234 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001267276671 837119993 /nfs/dbraw/zinc/11/99/93/837119993.db2.gz PQFUVPVAUMEHLT-CABCVRRESA-N 1 1 347.463 0.922 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC001267276671 837119999 /nfs/dbraw/zinc/11/99/99/837119999.db2.gz PQFUVPVAUMEHLT-CABCVRRESA-N 1 1 347.463 0.922 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1cncs1 ZINC001267276641 837120854 /nfs/dbraw/zinc/12/08/54/837120854.db2.gz SLKGMIIATLPVJN-KBPBESRZSA-N 1 1 348.472 0.794 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1cncs1 ZINC001267276641 837120858 /nfs/dbraw/zinc/12/08/58/837120858.db2.gz SLKGMIIATLPVJN-KBPBESRZSA-N 1 1 348.472 0.794 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001267277717 837123325 /nfs/dbraw/zinc/12/33/25/837123325.db2.gz ACZICNVXVFUUBB-KGLIPLIRSA-N 1 1 331.482 0.717 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001267280096 837126007 /nfs/dbraw/zinc/12/60/07/837126007.db2.gz QYSRBLCUZRHDBM-BXUZGUMPSA-N 1 1 332.404 0.624 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001267280096 837126013 /nfs/dbraw/zinc/12/60/13/837126013.db2.gz QYSRBLCUZRHDBM-BXUZGUMPSA-N 1 1 332.404 0.624 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCC(NC(C)=O)CC1 ZINC001267281995 837130182 /nfs/dbraw/zinc/13/01/82/837130182.db2.gz AAOSZZCPOCOMCW-DAWZGUTISA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCOc1ccc(CC(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)cc1 ZINC001267284021 837133048 /nfs/dbraw/zinc/13/30/48/837133048.db2.gz WALNWYUEHOAFBQ-HNNXBMFYSA-N 1 1 331.416 0.860 20 30 ECEDMO C=CCOc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)cc1 ZINC001267284021 837133052 /nfs/dbraw/zinc/13/30/52/837133052.db2.gz WALNWYUEHOAFBQ-HNNXBMFYSA-N 1 1 331.416 0.860 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2occc2C)C1 ZINC001267285023 837137200 /nfs/dbraw/zinc/13/72/00/837137200.db2.gz AEPLQRXCHUCNSA-ZDUSSCGKSA-N 1 1 348.403 0.652 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2occc2C)C1 ZINC001267285023 837137205 /nfs/dbraw/zinc/13/72/05/837137205.db2.gz AEPLQRXCHUCNSA-ZDUSSCGKSA-N 1 1 348.403 0.652 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001267293672 837147631 /nfs/dbraw/zinc/14/76/31/837147631.db2.gz WTMJCOAUSFERBB-ZIAGYGMSSA-N 1 1 345.447 0.572 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2c(Cl)cnn2C)C1 ZINC001267293430 837148411 /nfs/dbraw/zinc/14/84/11/837148411.db2.gz SGJUNXBYLKVHFR-NSHDSACASA-N 1 1 339.827 0.427 20 30 ECEDMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001267293818 837149301 /nfs/dbraw/zinc/14/93/01/837149301.db2.gz ZNHIBNDYHIIHFN-OLZOCXBDSA-N 1 1 336.436 0.318 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2coc(OC)n2)C1 ZINC001267298102 837159875 /nfs/dbraw/zinc/15/98/75/837159875.db2.gz JMXMRHDWRLJSGP-NEPJUHHUSA-N 1 1 336.392 0.426 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)c2nccn3ccnc23)C1 ZINC001267302915 837167380 /nfs/dbraw/zinc/16/73/80/837167380.db2.gz ISJLYCWFLAZSTC-CQSZACIVSA-N 1 1 327.388 0.431 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnn3ccccc23)C1 ZINC001267305944 837175667 /nfs/dbraw/zinc/17/56/67/837175667.db2.gz TXVDRHHYLWEJIY-AWEZNQCLSA-N 1 1 339.399 0.135 20 30 ECEDMO COc1cccc(CC(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267306573 837177933 /nfs/dbraw/zinc/17/79/33/837177933.db2.gz WCZHUVTYOGTBGY-OAHLLOKOSA-N 1 1 344.415 0.316 20 30 ECEDMO COc1cccc(CC(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267306573 837177941 /nfs/dbraw/zinc/17/79/41/837177941.db2.gz WCZHUVTYOGTBGY-OAHLLOKOSA-N 1 1 344.415 0.316 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](CCNC(=O)c1cccn1C)C1CC1 ZINC001267321529 837197713 /nfs/dbraw/zinc/19/77/13/837197713.db2.gz HIEDJLTZESYWAQ-UHFFFAOYSA-N 1 1 347.419 0.231 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCNC(=O)c1cccn1C)C1CC1 ZINC001267321529 837197719 /nfs/dbraw/zinc/19/77/19/837197719.db2.gz HIEDJLTZESYWAQ-UHFFFAOYSA-N 1 1 347.419 0.231 20 30 ECEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001267319943 837198042 /nfs/dbraw/zinc/19/80/42/837198042.db2.gz URXPIOHLKCCCHC-UHFFFAOYSA-N 1 1 330.816 0.461 20 30 ECEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001267319943 837198046 /nfs/dbraw/zinc/19/80/46/837198046.db2.gz URXPIOHLKCCCHC-UHFFFAOYSA-N 1 1 330.816 0.461 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[N@H+](CC(=O)NC[C@@H]1CCOC1)C1CC1 ZINC001267325530 837202689 /nfs/dbraw/zinc/20/26/89/837202689.db2.gz JTGJGXYKNXHQEJ-HNNXBMFYSA-N 1 1 349.475 0.769 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[N@@H+](CC(=O)NC[C@@H]1CCOC1)C1CC1 ZINC001267325530 837202696 /nfs/dbraw/zinc/20/26/96/837202696.db2.gz JTGJGXYKNXHQEJ-HNNXBMFYSA-N 1 1 349.475 0.769 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001267335570 837219000 /nfs/dbraw/zinc/21/90/00/837219000.db2.gz ZSNSBLAFEHOZCT-LZWOXQAQSA-N 1 1 349.431 0.353 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001267335570 837219010 /nfs/dbraw/zinc/21/90/10/837219010.db2.gz ZSNSBLAFEHOZCT-LZWOXQAQSA-N 1 1 349.431 0.353 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cnn(CC)n2)C1 ZINC001267580817 837841538 /nfs/dbraw/zinc/84/15/38/837841538.db2.gz DTFHFRDTGXBUSF-PBHICJAKSA-N 1 1 335.452 0.905 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cnn(CC)n2)C1 ZINC001267580817 837841547 /nfs/dbraw/zinc/84/15/47/837841547.db2.gz DTFHFRDTGXBUSF-PBHICJAKSA-N 1 1 335.452 0.905 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC001267580498 837841765 /nfs/dbraw/zinc/84/17/65/837841765.db2.gz XPLRJAVPMCXVRF-LSDHHAIUSA-N 1 1 330.432 0.855 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001267587022 837866106 /nfs/dbraw/zinc/86/61/06/837866106.db2.gz DZEWJIWDXKBBRU-STQMWFEESA-N 1 1 338.452 0.952 20 30 ECEDMO CCC(=O)N1CC[C@H](C(=O)NCC[C@@H]2CC[N@@H+](CC#CCOC)C2)C1 ZINC001267595051 837897514 /nfs/dbraw/zinc/89/75/14/837897514.db2.gz OXJRLYVUEZKMMH-SJORKVTESA-N 1 1 349.475 0.723 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC(C[N@H+](C)CC(=O)NC(=O)NC)CC1 ZINC001267599983 837915605 /nfs/dbraw/zinc/91/56/05/837915605.db2.gz IYMCLFFDFBVPKY-UHFFFAOYSA-N 1 1 338.452 0.825 20 30 ECEDMO C#CC[N@H+](C)CC1CCN(C(=O)c2ccc3n[nH]c(=O)n3c2)CC1 ZINC001267603047 837929813 /nfs/dbraw/zinc/92/98/13/837929813.db2.gz PCQMKTFOCQMMTM-UHFFFAOYSA-N 1 1 327.388 0.852 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCCCCS(N)(=O)=O)C1 ZINC001267620471 838058299 /nfs/dbraw/zinc/05/82/99/838058299.db2.gz BSEFTXYUYZPCHM-CQSZACIVSA-N 1 1 331.482 0.992 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)C1 ZINC001267622175 838064609 /nfs/dbraw/zinc/06/46/09/838064609.db2.gz PAKDDAINNXYBCJ-HUUCEWRRSA-N 1 1 335.452 0.081 20 30 ECEDMO CCCN1C[C@H](C(=O)N[C@H]2CCC[N@H+](CC#CCOC)C2)CC1=O ZINC001267632574 838095580 /nfs/dbraw/zinc/09/55/80/838095580.db2.gz ZKVHJAMFZRJPHV-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO CCCN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC#CCOC)C2)CC1=O ZINC001267632574 838095586 /nfs/dbraw/zinc/09/55/86/838095586.db2.gz ZKVHJAMFZRJPHV-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCc2cncn2C)C1 ZINC001267634374 838101999 /nfs/dbraw/zinc/10/19/99/838101999.db2.gz UXLTXPOWFWEXIL-CABCVRRESA-N 1 1 345.447 0.071 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCc2cncn2C)C1 ZINC001267634374 838102004 /nfs/dbraw/zinc/10/20/04/838102004.db2.gz UXLTXPOWFWEXIL-CABCVRRESA-N 1 1 345.447 0.071 20 30 ECEDMO C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001267653837 838159061 /nfs/dbraw/zinc/15/90/61/838159061.db2.gz ZDGRQAQIOORLDB-CYBMUJFWSA-N 1 1 344.419 0.949 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001267658395 838173435 /nfs/dbraw/zinc/17/34/35/838173435.db2.gz NRCKMAAMXXTMDY-STQMWFEESA-N 1 1 327.375 0.561 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC001267681609 838240552 /nfs/dbraw/zinc/24/05/52/838240552.db2.gz ONRBVTSHJXUNRK-ZIAGYGMSSA-N 1 1 337.464 0.766 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC001267683065 838244128 /nfs/dbraw/zinc/24/41/28/838244128.db2.gz JBQJLQJRIUXZSH-HOTGVXAUSA-N 1 1 344.459 0.865 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH+]1CC(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001267694311 838280229 /nfs/dbraw/zinc/28/02/29/838280229.db2.gz IBPFWKIKTXOOME-UHFFFAOYSA-N 1 1 331.420 0.580 20 30 ECEDMO O=C(CC#Cc1ccccc1)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001267699290 838293972 /nfs/dbraw/zinc/29/39/72/838293972.db2.gz PYUAXRZCZZASDJ-QGZVFWFLSA-N 1 1 325.412 0.755 20 30 ECEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001267706578 838311738 /nfs/dbraw/zinc/31/17/38/838311738.db2.gz PDBTXUOOHUQMHO-KBPBESRZSA-N 1 1 348.451 0.633 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001267712221 838324922 /nfs/dbraw/zinc/32/49/22/838324922.db2.gz ORYXMXZMNFJGJO-LUKYLMHMSA-N 1 1 349.475 0.857 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001267712221 838324927 /nfs/dbraw/zinc/32/49/27/838324927.db2.gz ORYXMXZMNFJGJO-LUKYLMHMSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)NS(C)(=O)=O ZINC001267713580 838336871 /nfs/dbraw/zinc/33/68/71/838336871.db2.gz QIUXFWNPVPDBDS-STQMWFEESA-N 1 1 329.466 0.566 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001267724006 838383606 /nfs/dbraw/zinc/38/36/06/838383606.db2.gz QIJODPWRAJUJBG-WMLDXEAASA-N 1 1 345.447 0.630 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001267724006 838383615 /nfs/dbraw/zinc/38/36/15/838383615.db2.gz QIJODPWRAJUJBG-WMLDXEAASA-N 1 1 345.447 0.630 20 30 ECEDMO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001267725657 838395891 /nfs/dbraw/zinc/39/58/91/838395891.db2.gz WLQNCVOFYVHZJZ-ZDUSSCGKSA-N 1 1 332.379 0.899 20 30 ECEDMO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001267725657 838395900 /nfs/dbraw/zinc/39/59/00/838395900.db2.gz WLQNCVOFYVHZJZ-ZDUSSCGKSA-N 1 1 332.379 0.899 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001267744346 838448302 /nfs/dbraw/zinc/44/83/02/838448302.db2.gz PALSCQXMBFWFLJ-CYBMUJFWSA-N 1 1 345.403 0.187 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001267744346 838448305 /nfs/dbraw/zinc/44/83/05/838448305.db2.gz PALSCQXMBFWFLJ-CYBMUJFWSA-N 1 1 345.403 0.187 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001267745204 838450034 /nfs/dbraw/zinc/45/00/34/838450034.db2.gz KAHFZIFWKDLAGK-DGCLKSJQSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001267745204 838450036 /nfs/dbraw/zinc/45/00/36/838450036.db2.gz KAHFZIFWKDLAGK-DGCLKSJQSA-N 1 1 327.375 0.750 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267761955 838490468 /nfs/dbraw/zinc/49/04/68/838490468.db2.gz MGPGTGRJGRZDRD-HZPDHXFCSA-N 1 1 336.480 0.694 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C(N)=O)c2)C1 ZINC001267766773 838501546 /nfs/dbraw/zinc/50/15/46/838501546.db2.gz LNWVWMQBUCWNMP-MRXNPFEDSA-N 1 1 329.400 0.582 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C(N)=O)c2)C1 ZINC001267766773 838501551 /nfs/dbraw/zinc/50/15/51/838501551.db2.gz LNWVWMQBUCWNMP-MRXNPFEDSA-N 1 1 329.400 0.582 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CCF)c2)C1 ZINC001267768826 838508726 /nfs/dbraw/zinc/50/87/26/838508726.db2.gz QISOJBSMYDXGCU-ZFWWWQNUSA-N 1 1 349.410 0.137 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CCF)c2)C1 ZINC001267768826 838508731 /nfs/dbraw/zinc/50/87/31/838508731.db2.gz QISOJBSMYDXGCU-ZFWWWQNUSA-N 1 1 349.410 0.137 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(C)n2C)C1 ZINC001267769628 838516097 /nfs/dbraw/zinc/51/60/97/838516097.db2.gz CIZBMDDQZWTYOL-GXTWGEPZSA-N 1 1 333.436 0.566 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(C)n2C)C1 ZINC001267769628 838516102 /nfs/dbraw/zinc/51/61/02/838516102.db2.gz CIZBMDDQZWTYOL-GXTWGEPZSA-N 1 1 333.436 0.566 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccnc2OC)C1 ZINC001267771702 838522121 /nfs/dbraw/zinc/52/21/21/838522121.db2.gz LRTDDSMWZAGBNX-ZIAGYGMSSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccnc2OC)C1 ZINC001267771702 838522127 /nfs/dbraw/zinc/52/21/27/838522127.db2.gz LRTDDSMWZAGBNX-ZIAGYGMSSA-N 1 1 346.431 0.927 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267773413 838531513 /nfs/dbraw/zinc/53/15/13/838531513.db2.gz MYKSKLWLALZNDG-UONOGXRCSA-N 1 1 344.415 0.380 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267773413 838531521 /nfs/dbraw/zinc/53/15/21/838531521.db2.gz MYKSKLWLALZNDG-UONOGXRCSA-N 1 1 344.415 0.380 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)COc2ccc(F)cc2)C1 ZINC001267778230 838545908 /nfs/dbraw/zinc/54/59/08/838545908.db2.gz XBCGXAXUJZOIJU-HNNXBMFYSA-N 1 1 347.390 0.487 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(F)cc2)C1 ZINC001267778230 838545914 /nfs/dbraw/zinc/54/59/14/838545914.db2.gz XBCGXAXUJZOIJU-HNNXBMFYSA-N 1 1 347.390 0.487 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCCOC(C)C)C1 ZINC001267779210 838549709 /nfs/dbraw/zinc/54/97/09/838549709.db2.gz PLUIQNZYTIUJRR-CVEARBPZSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCCOC(C)C)C1 ZINC001267779210 838549712 /nfs/dbraw/zinc/54/97/12/838549712.db2.gz PLUIQNZYTIUJRR-CVEARBPZSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2ccsc2)C1 ZINC001267780967 838554103 /nfs/dbraw/zinc/55/41/03/838554103.db2.gz YVJNIVOYPFREIT-OAHLLOKOSA-N 1 1 333.457 0.963 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2ccsc2)C1 ZINC001267780967 838554109 /nfs/dbraw/zinc/55/41/09/838554109.db2.gz YVJNIVOYPFREIT-OAHLLOKOSA-N 1 1 333.457 0.963 20 30 ECEDMO C=CCCC(=O)N(CC)[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001267782527 838556230 /nfs/dbraw/zinc/55/62/30/838556230.db2.gz WGGYDOAUEQBMRB-OAHLLOKOSA-N 1 1 343.493 0.911 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CCc2nccn2C)C1 ZINC001267787480 838565116 /nfs/dbraw/zinc/56/51/16/838565116.db2.gz CTPZMCNZTDNFSL-HNNXBMFYSA-N 1 1 345.447 0.025 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CCc2nccn2C)C1 ZINC001267787480 838565120 /nfs/dbraw/zinc/56/51/20/838565120.db2.gz CTPZMCNZTDNFSL-HNNXBMFYSA-N 1 1 345.447 0.025 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CCc2nccs2)C1 ZINC001267789176 838568862 /nfs/dbraw/zinc/56/88/62/838568862.db2.gz FZDVAWKSCULUNL-AWEZNQCLSA-N 1 1 348.472 0.748 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CCc2nccs2)C1 ZINC001267789176 838568868 /nfs/dbraw/zinc/56/88/68/838568868.db2.gz FZDVAWKSCULUNL-AWEZNQCLSA-N 1 1 348.472 0.748 20 30 ECEDMO CCN(C(=O)C(N)=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC001267788768 838569035 /nfs/dbraw/zinc/56/90/35/838569035.db2.gz DCGLJSZXVJJJER-CQSZACIVSA-N 1 1 330.388 0.475 20 30 ECEDMO CCN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC001267788768 838569037 /nfs/dbraw/zinc/56/90/37/838569037.db2.gz DCGLJSZXVJJJER-CQSZACIVSA-N 1 1 330.388 0.475 20 30 ECEDMO CCN(C(=O)c1ccc(OC)nn1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267790648 838570466 /nfs/dbraw/zinc/57/04/66/838570466.db2.gz OSPANSVZTONPSX-AWEZNQCLSA-N 1 1 332.404 0.671 20 30 ECEDMO CCN(C(=O)c1ccc(OC)nn1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267790648 838570472 /nfs/dbraw/zinc/57/04/72/838570472.db2.gz OSPANSVZTONPSX-AWEZNQCLSA-N 1 1 332.404 0.671 20 30 ECEDMO CC[C@@H](CNC(=O)CSCC#N)[NH2+]Cc1nnc2n1CCOC2 ZINC001267796410 838575514 /nfs/dbraw/zinc/57/55/14/838575514.db2.gz OHEORAJUPOJZOU-NSHDSACASA-N 1 1 338.437 0.049 20 30 ECEDMO COCC#CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)=O)CC2 ZINC001267972629 838904482 /nfs/dbraw/zinc/90/44/82/838904482.db2.gz MNQHXLLNSMTTKH-UHFFFAOYSA-N 1 1 335.448 0.429 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1ccco1)CC2 ZINC001267973780 838906253 /nfs/dbraw/zinc/90/62/53/838906253.db2.gz ALZKOLOFYHYLMV-UHFFFAOYSA-N 1 1 343.427 0.886 20 30 ECEDMO C=CCCOCC(=O)N1CCC2(CC[N@H+](C[C@H](O)COC)C2)CC1 ZINC001267975094 838913050 /nfs/dbraw/zinc/91/30/50/838913050.db2.gz OKTUXBNAQOTZHH-INIZCTEOSA-N 1 1 340.464 0.901 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001268024039 839011223 /nfs/dbraw/zinc/01/12/23/839011223.db2.gz VVEOFNACDOFKGM-ZFWWWQNUSA-N 1 1 344.419 0.910 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001268026203 839027557 /nfs/dbraw/zinc/02/75/57/839027557.db2.gz SSNBXZVURGAZSS-CABCVRRESA-N 1 1 338.452 0.560 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001268027513 839036741 /nfs/dbraw/zinc/03/67/41/839036741.db2.gz VPTJYUPGRDJXEJ-CABCVRRESA-N 1 1 348.451 0.409 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CCC[C@H](C)O)CCO2)nc1 ZINC001268028987 839044736 /nfs/dbraw/zinc/04/47/36/839044736.db2.gz ALSFLRNTMKNTAO-HOCLYGCPSA-N 1 1 331.416 0.655 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CCC[C@H](C)O)CCO2)nc1 ZINC001268028987 839044748 /nfs/dbraw/zinc/04/47/48/839044748.db2.gz ALSFLRNTMKNTAO-HOCLYGCPSA-N 1 1 331.416 0.655 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1occc1C)CC2 ZINC001268042922 839188583 /nfs/dbraw/zinc/18/85/83/839188583.db2.gz ZIBOCSCYRMNADC-UHFFFAOYSA-N 1 1 329.400 0.875 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)c1ccncc1)CC2 ZINC001268042855 839190227 /nfs/dbraw/zinc/19/02/27/839190227.db2.gz XDGWYCXBIXJGDH-OAHLLOKOSA-N 1 1 340.427 0.758 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCOC[C@@H]1C)CC2 ZINC001268045513 839208073 /nfs/dbraw/zinc/20/80/73/839208073.db2.gz BWLXDTOYZKAIBD-JKSUJKDBSA-N 1 1 349.475 0.886 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[N@H+](CCN3C(=O)CCC3=O)CC2)c[nH]1 ZINC000981006033 839315274 /nfs/dbraw/zinc/31/52/74/839315274.db2.gz CKLFPKDGCFOERD-UHFFFAOYSA-N 1 1 343.387 0.183 20 30 ECEDMO N#Cc1cc(C(=O)N2CCC[N@@H+](CCN3C(=O)CCC3=O)CC2)c[nH]1 ZINC000981006033 839315287 /nfs/dbraw/zinc/31/52/87/839315287.db2.gz CKLFPKDGCFOERD-UHFFFAOYSA-N 1 1 343.387 0.183 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000098067729 219077465 /nfs/dbraw/zinc/07/74/65/219077465.db2.gz BCIVIGJEPMBPGP-UHFFFAOYSA-N 1 1 337.445 0.929 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc(C#N)[nH]c2C)CC1=O ZINC000425319482 210041648 /nfs/dbraw/zinc/04/16/48/210041648.db2.gz QBJFNAUVQGYICH-CQSZACIVSA-N 1 1 347.419 0.104 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc(C#N)[nH]c2C)CC1=O ZINC000425319476 210039742 /nfs/dbraw/zinc/03/97/42/210039742.db2.gz QBJFNAUVQGYICH-AWEZNQCLSA-N 1 1 347.419 0.104 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](CC)C(N)=O)C3)C2)c1 ZINC001041661861 781944098 /nfs/dbraw/zinc/94/40/98/781944098.db2.gz YRQJGQLRHDDAIL-QFBILLFUSA-N 1 1 340.427 0.865 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000264371527 246416113 /nfs/dbraw/zinc/41/61/13/246416113.db2.gz JBTOXTHPDMVCFR-UHFFFAOYSA-N 1 1 348.432 0.591 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000268567666 252029652 /nfs/dbraw/zinc/02/96/52/252029652.db2.gz QQMXTFIOZYGQPQ-UHFFFAOYSA-N 1 1 343.383 0.047 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000451665734 285051970 /nfs/dbraw/zinc/05/19/70/285051970.db2.gz FRYCLLTZGGPYRA-ZIAGYGMSSA-N 1 1 332.470 0.149 20 30 ECEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000330185936 296387802 /nfs/dbraw/zinc/38/78/02/296387802.db2.gz RPNSBPQLLKTCRP-KGLIPLIRSA-N 1 1 346.497 0.598 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000330967960 254645976 /nfs/dbraw/zinc/64/59/76/254645976.db2.gz AJVJDPQDWOAWSX-LBPRGKRZSA-N 1 1 339.440 0.748 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000330965328 254646188 /nfs/dbraw/zinc/64/61/88/254646188.db2.gz DJBJGUJUWVSZMQ-SJORKVTESA-N 1 1 349.435 0.555 20 30 ECEDMO CCCCNC(=O)NC(=O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000331280632 254652005 /nfs/dbraw/zinc/65/20/05/254652005.db2.gz UIJDKNSLMGFNRT-UHFFFAOYSA-N 1 1 339.440 0.901 20 30 ECEDMO N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000336947334 254661988 /nfs/dbraw/zinc/66/19/88/254661988.db2.gz PDCIETUYLWKVRF-NEPJUHHUSA-N 1 1 325.394 0.058 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnc(CC(C)C)nc1 ZINC000491125610 254898811 /nfs/dbraw/zinc/89/88/11/254898811.db2.gz FUEUHBOLFDQMFV-UHFFFAOYSA-N 1 1 331.420 0.685 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001077942190 781982984 /nfs/dbraw/zinc/98/29/84/781982984.db2.gz ATTUXHCVTIHPNE-VXGBXAGGSA-N 1 1 327.306 0.899 20 30 ECEDMO COC(=O)[C@]1(C)CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000330958454 291975069 /nfs/dbraw/zinc/97/50/69/291975069.db2.gz DDQWZLDBALZWFC-CZUORRHYSA-N 1 1 327.425 0.754 20 30 ECEDMO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CC2(CO)COC2)CC1 ZINC000084881476 296628775 /nfs/dbraw/zinc/62/87/75/296628775.db2.gz XAODLOXCOWUKNV-UHFFFAOYSA-N 1 1 344.371 0.937 20 30 ECEDMO N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000077397640 164606389 /nfs/dbraw/zinc/60/63/89/164606389.db2.gz LRQMNEXUQUYPFX-CQSZACIVSA-N 1 1 326.356 0.387 20 30 ECEDMO CC(C)COC[C@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000246326088 165130459 /nfs/dbraw/zinc/13/04/59/165130459.db2.gz FXABNZZMDOUGNG-LSDHHAIUSA-N 1 1 333.436 0.892 20 30 ECEDMO CC(C)COC[C@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000246326088 165130463 /nfs/dbraw/zinc/13/04/63/165130463.db2.gz FXABNZZMDOUGNG-LSDHHAIUSA-N 1 1 333.436 0.892 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC[N@@H+]1C[C@@H](C)O ZINC000330413375 287204161 /nfs/dbraw/zinc/20/41/61/287204161.db2.gz ZRKNJKQRRNVDRR-RRFJBIMHSA-N 1 1 346.497 0.490 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC[N@H+]1C[C@@H](C)O ZINC000330413375 287204162 /nfs/dbraw/zinc/20/41/62/287204162.db2.gz ZRKNJKQRRNVDRR-RRFJBIMHSA-N 1 1 346.497 0.490 20 30 ECEDMO N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000264649696 263177930 /nfs/dbraw/zinc/17/79/30/263177930.db2.gz FQECIQPFQHOBFT-CQSZACIVSA-N 1 1 326.400 0.889 20 30 ECEDMO Cn1cnnc1N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528536508 269936730 /nfs/dbraw/zinc/93/67/30/269936730.db2.gz DBGNLBFBXIJMNF-HNNXBMFYSA-N 1 1 342.403 0.249 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272814238 263377014 /nfs/dbraw/zinc/37/70/14/263377014.db2.gz LQAFTWXMZYUMLA-CVEARBPZSA-N 1 1 342.399 0.500 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272814238 263377016 /nfs/dbraw/zinc/37/70/16/263377016.db2.gz LQAFTWXMZYUMLA-CVEARBPZSA-N 1 1 342.399 0.500 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(CC(=O)NCc3ccc(C#N)cc3)[C@@H]2C1 ZINC000284483537 264218474 /nfs/dbraw/zinc/21/84/74/264218474.db2.gz AZUHCXRQCQCIKL-IAGOWNOFSA-N 1 1 328.416 0.579 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2sccc2C#N)n1C ZINC000340311578 270006158 /nfs/dbraw/zinc/00/61/58/270006158.db2.gz HHALYKXVXBRVRV-UHFFFAOYSA-N 1 1 332.389 0.674 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000364962715 270007383 /nfs/dbraw/zinc/00/73/83/270007383.db2.gz XBKZWLFOFVXTFW-CQSZACIVSA-N 1 1 344.415 0.720 20 30 ECEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000528383664 270008172 /nfs/dbraw/zinc/00/81/72/270008172.db2.gz OLGYQJQYDUXZDN-HOTGVXAUSA-N 1 1 344.415 0.788 20 30 ECEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cc2noc(C)c2C#N)CC1 ZINC000354431072 266148889 /nfs/dbraw/zinc/14/88/89/266148889.db2.gz XNWOZHLLDRYYAK-ZDUSSCGKSA-N 1 1 333.436 0.787 20 30 ECEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2cnc(C#N)n2)[C@H](C)C1 ZINC000337014134 266273266 /nfs/dbraw/zinc/27/32/66/266273266.db2.gz JPECORNKLSIHIA-KFWWJZLASA-N 1 1 348.451 0.964 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000358124564 266605846 /nfs/dbraw/zinc/60/58/46/266605846.db2.gz NYRFIRAEMPDKKH-HNNXBMFYSA-N 1 1 336.779 0.333 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292094734 267130373 /nfs/dbraw/zinc/13/03/73/267130373.db2.gz FVGICAZBKBBFBU-BXUZGUMPSA-N 1 1 343.387 0.783 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292094734 267130376 /nfs/dbraw/zinc/13/03/76/267130376.db2.gz FVGICAZBKBBFBU-BXUZGUMPSA-N 1 1 343.387 0.783 20 30 ECEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000298974472 267198335 /nfs/dbraw/zinc/19/83/35/267198335.db2.gz DXWHQSLMZWGENB-AWEZNQCLSA-N 1 1 344.415 0.606 20 30 ECEDMO C[C@H]1NC(=O)N(CC[NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000332114737 267243629 /nfs/dbraw/zinc/24/36/29/267243629.db2.gz GVPBHXCJPMCGDV-CYBMUJFWSA-N 1 1 327.388 0.621 20 30 ECEDMO C[C@](O)(CNC(=O)Cc1c(F)cccc1C#N)C[NH+]1CCOCC1 ZINC000353714109 267256994 /nfs/dbraw/zinc/25/69/94/267256994.db2.gz PUSGVHSLKPXTLM-KRWDZBQOSA-N 1 1 335.379 0.439 20 30 ECEDMO C[C@](O)(CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)C[NH+]1CCOCC1 ZINC000342374097 267257676 /nfs/dbraw/zinc/25/76/76/267257676.db2.gz KDPPDUCKSPEHFN-HNNXBMFYSA-N 1 1 335.364 0.544 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000364980797 267280780 /nfs/dbraw/zinc/28/07/80/267280780.db2.gz JHHPAMMIDUNCIC-CYBMUJFWSA-N 1 1 344.415 0.720 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000362930752 267382095 /nfs/dbraw/zinc/38/20/95/267382095.db2.gz GKNHXPHFQSRZSV-CABCVRRESA-N 1 1 342.399 0.785 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000377746892 268046544 /nfs/dbraw/zinc/04/65/44/268046544.db2.gz VSDNCTHMJASWSE-INIZCTEOSA-N 1 1 329.404 0.090 20 30 ECEDMO N#Cc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000341852550 268056934 /nfs/dbraw/zinc/05/69/34/268056934.db2.gz OCKVPNAHUSYNOX-MRXNPFEDSA-N 1 1 328.416 0.804 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000336883020 268177415 /nfs/dbraw/zinc/17/74/15/268177415.db2.gz XYNNBTYVTKJDMQ-MAUKXSAKSA-N 1 1 329.400 0.900 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000528418877 268299867 /nfs/dbraw/zinc/29/98/67/268299867.db2.gz WLYZAVKHNISJON-ZIAGYGMSSA-N 1 1 339.417 0.051 20 30 ECEDMO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@@]2(CCOC2)O1 ZINC000329982545 274321737 /nfs/dbraw/zinc/32/17/37/274321737.db2.gz AJURPSSCNIYVQO-IIAWOOMASA-N 1 1 326.441 0.026 20 30 ECEDMO CCC[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@H+]1CCOC ZINC000343141227 276275087 /nfs/dbraw/zinc/27/50/87/276275087.db2.gz QOMUEGKDYWNZSS-OAHLLOKOSA-N 1 1 338.452 0.756 20 30 ECEDMO CCC[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@@H+]1CCOC ZINC000343141227 276275085 /nfs/dbraw/zinc/27/50/85/276275085.db2.gz QOMUEGKDYWNZSS-OAHLLOKOSA-N 1 1 338.452 0.756 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411966087 278134716 /nfs/dbraw/zinc/13/47/16/278134716.db2.gz LBXILGZFSIDNHR-KDOFPFPSSA-N 1 1 328.416 0.876 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000330409993 279225429 /nfs/dbraw/zinc/22/54/29/279225429.db2.gz YLCMDWCWTGCEJF-HZSPNIEDSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000330409993 279225432 /nfs/dbraw/zinc/22/54/32/279225432.db2.gz YLCMDWCWTGCEJF-HZSPNIEDSA-N 1 1 332.470 0.100 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000092617251 280134350 /nfs/dbraw/zinc/13/43/50/280134350.db2.gz WAMVIUUQUSEZGD-CVEARBPZSA-N 1 1 349.479 0.231 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000092617251 280134351 /nfs/dbraw/zinc/13/43/51/280134351.db2.gz WAMVIUUQUSEZGD-CVEARBPZSA-N 1 1 349.479 0.231 20 30 ECEDMO CCOC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000330751967 437605912 /nfs/dbraw/zinc/60/59/12/437605912.db2.gz WYHHBFOFGPOPEC-ZIAGYGMSSA-N 1 1 326.441 0.421 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](COC)C2)CC1 ZINC000330758592 437606696 /nfs/dbraw/zinc/60/66/96/437606696.db2.gz JKXGPYZKQJXKML-CYBMUJFWSA-N 1 1 326.441 0.469 20 30 ECEDMO CC#CCCCC(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000343598867 437607932 /nfs/dbraw/zinc/60/79/32/437607932.db2.gz FSCUEMIGODLTQU-UHFFFAOYSA-N 1 1 331.420 0.789 20 30 ECEDMO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)CC1(O)CCOCC1 ZINC000331279162 289258397 /nfs/dbraw/zinc/25/83/97/289258397.db2.gz AUCRYKZMNNHUGZ-SECBINFHSA-N 1 1 341.330 0.441 20 30 ECEDMO CN(CC(C)(C)C#N)C(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000423634404 289494185 /nfs/dbraw/zinc/49/41/85/289494185.db2.gz CONMNEWSWJGAOT-CQSZACIVSA-N 1 1 329.404 0.563 20 30 ECEDMO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C2)C1 ZINC000330192180 290245740 /nfs/dbraw/zinc/24/57/40/290245740.db2.gz XQNKWSJOBXKQIQ-HIFRSBDPSA-N 1 1 344.481 0.352 20 30 ECEDMO COC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)[C@@H]1CCCO1 ZINC000329610283 292974828 /nfs/dbraw/zinc/97/48/28/292974828.db2.gz NTCMBYJYRJWFFS-QXSJWSMHSA-N 1 1 341.452 0.889 20 30 ECEDMO CNC(=O)CN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000330804149 437619034 /nfs/dbraw/zinc/61/90/34/437619034.db2.gz KZRORNOUROHZME-CQSZACIVSA-N 1 1 339.484 0.384 20 30 ECEDMO C=CCNC(=O)NC(=O)CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000023333806 436125208 /nfs/dbraw/zinc/12/52/08/436125208.db2.gz GUEDBCAMDPFYEJ-UHFFFAOYSA-N 1 1 346.431 0.695 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)C1 ZINC000081456671 436347540 /nfs/dbraw/zinc/34/75/40/436347540.db2.gz RIUCDOXAHZTLJC-INIZCTEOSA-N 1 1 342.399 0.060 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)C1 ZINC000081456671 436347544 /nfs/dbraw/zinc/34/75/44/436347544.db2.gz RIUCDOXAHZTLJC-INIZCTEOSA-N 1 1 342.399 0.060 20 30 ECEDMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513179 436349697 /nfs/dbraw/zinc/34/96/97/436349697.db2.gz RIDWXZIMDSRGED-OCCSQVGLSA-N 1 1 335.429 0.918 20 30 ECEDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513179 436349700 /nfs/dbraw/zinc/34/97/00/436349700.db2.gz RIDWXZIMDSRGED-OCCSQVGLSA-N 1 1 335.429 0.918 20 30 ECEDMO N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080611335 436325123 /nfs/dbraw/zinc/32/51/23/436325123.db2.gz LTPSSEZQDSQRLI-SJORKVTESA-N 1 1 334.464 0.935 20 30 ECEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000086462960 436394605 /nfs/dbraw/zinc/39/46/05/436394605.db2.gz LDJCXMFVKXUXAC-AWEZNQCLSA-N 1 1 346.435 0.926 20 30 ECEDMO CC(=O)N1CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000091515189 436451665 /nfs/dbraw/zinc/45/16/65/436451665.db2.gz NZCJBIUVUREYEV-KRWDZBQOSA-N 1 1 349.479 0.233 20 30 ECEDMO CC(=O)N1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000091515189 436451669 /nfs/dbraw/zinc/45/16/69/436451669.db2.gz NZCJBIUVUREYEV-KRWDZBQOSA-N 1 1 349.479 0.233 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CCO)CC1 ZINC000092618535 436474141 /nfs/dbraw/zinc/47/41/41/436474141.db2.gz CSWQKFZBYQUZET-IAGOWNOFSA-N 1 1 336.480 0.916 20 30 ECEDMO C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000096006802 436503910 /nfs/dbraw/zinc/50/39/10/436503910.db2.gz YATUHVUKZKWQHX-HNNXBMFYSA-N 1 1 340.493 0.722 20 30 ECEDMO C[N@@H+](CCN1CCOCC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000112407365 436633050 /nfs/dbraw/zinc/63/30/50/436633050.db2.gz SUZXWIQJMIADKE-KRWDZBQOSA-N 1 1 333.432 0.756 20 30 ECEDMO C[C@H]1CC[N@@H+](CCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000550518906 302347029 /nfs/dbraw/zinc/34/70/29/302347029.db2.gz PRSSZAFRVNLFDO-ZDUSSCGKSA-N 1 1 326.400 0.905 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CCc2cnccn2)CC1 ZINC000271626999 436692828 /nfs/dbraw/zinc/69/28/28/436692828.db2.gz GACCNNGCVIQPQA-QGZVFWFLSA-N 1 1 344.463 0.643 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCc2cnccn2)CC1 ZINC000271626999 436692831 /nfs/dbraw/zinc/69/28/31/436692831.db2.gz GACCNNGCVIQPQA-QGZVFWFLSA-N 1 1 344.463 0.643 20 30 ECEDMO C#CCSCCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000271612371 436693375 /nfs/dbraw/zinc/69/33/75/436693375.db2.gz CMFAZETYKKEHGB-ZDUSSCGKSA-N 1 1 327.450 0.632 20 30 ECEDMO C#CCSCCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000271612371 436693377 /nfs/dbraw/zinc/69/33/77/436693377.db2.gz CMFAZETYKKEHGB-ZDUSSCGKSA-N 1 1 327.450 0.632 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000151209782 436698512 /nfs/dbraw/zinc/69/85/12/436698512.db2.gz JXVDWGBSUZDYBN-HNNXBMFYSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)NC(=O)Nc2ccc(OC)cc2)CC1 ZINC000272041367 436702701 /nfs/dbraw/zinc/70/27/01/436702701.db2.gz RFLNQCLPBOMJRQ-UHFFFAOYSA-N 1 1 344.415 0.984 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067442874 436713842 /nfs/dbraw/zinc/71/38/42/436713842.db2.gz GFUGWTHGPKIGOE-UHFFFAOYSA-N 1 1 342.403 0.921 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cnn(CCOC)c2)CC1 ZINC000269700532 436669141 /nfs/dbraw/zinc/66/91/41/436669141.db2.gz LXVBUEODQUURDC-UHFFFAOYSA-N 1 1 328.438 0.458 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](NC(N)=O)C2)c(OC)c1 ZINC000270698313 436674280 /nfs/dbraw/zinc/67/42/80/436674280.db2.gz XLWVQJPFPLMDAS-GJZGRUSLSA-N 1 1 349.431 0.906 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)nn1CCC#N ZINC000270999976 436677396 /nfs/dbraw/zinc/67/73/96/436677396.db2.gz BPVXGFTZDVIOHA-UHFFFAOYSA-N 1 1 344.419 0.740 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000272874163 436724898 /nfs/dbraw/zinc/72/48/98/436724898.db2.gz PHYVXMZJBNJQOL-GFCCVEGCSA-N 1 1 346.474 0.846 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000273076764 436733452 /nfs/dbraw/zinc/73/34/52/436733452.db2.gz KMRXWZVEEKVOJY-QWHCGFSZSA-N 1 1 325.409 0.862 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121427443 436715414 /nfs/dbraw/zinc/71/54/14/436715414.db2.gz XEAKCSGRWSPWNZ-UHFFFAOYSA-N 1 1 329.466 0.543 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000245936436 436771228 /nfs/dbraw/zinc/77/12/28/436771228.db2.gz SJJFWTUHYYQXTF-KBPBESRZSA-N 1 1 344.481 0.081 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000245936436 436771232 /nfs/dbraw/zinc/77/12/32/436771232.db2.gz SJJFWTUHYYQXTF-KBPBESRZSA-N 1 1 344.481 0.081 20 30 ECEDMO C#CCn1ccc(C[N@H+](CC)CCc2cn(CC(=O)OC)nn2)n1 ZINC000279785049 436840942 /nfs/dbraw/zinc/84/09/42/436840942.db2.gz UUQMGNJSOKTZQH-UHFFFAOYSA-N 1 1 330.392 0.345 20 30 ECEDMO C#CCn1ccc(C[N@@H+](CC)CCc2cn(CC(=O)OC)nn2)n1 ZINC000279785049 436840943 /nfs/dbraw/zinc/84/09/43/436840943.db2.gz UUQMGNJSOKTZQH-UHFFFAOYSA-N 1 1 330.392 0.345 20 30 ECEDMO CCOC(=O)[C@](C)(O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000274653190 436854901 /nfs/dbraw/zinc/85/49/01/436854901.db2.gz NSTZTRLHRNUJHW-MLGOLLRUSA-N 1 1 333.392 0.173 20 30 ECEDMO CCOC(=O)[C@](C)(O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000274653190 436854903 /nfs/dbraw/zinc/85/49/03/436854903.db2.gz NSTZTRLHRNUJHW-MLGOLLRUSA-N 1 1 333.392 0.173 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2nc(C)nn2c1 ZINC000293238114 436859895 /nfs/dbraw/zinc/85/98/95/436859895.db2.gz CSORQXZQFTZTFT-UHFFFAOYSA-N 1 1 328.376 0.048 20 30 ECEDMO C[C@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1CCO ZINC000249583028 436824022 /nfs/dbraw/zinc/82/40/22/436824022.db2.gz RWYNXBPXBKUJTG-JSGCOSHPSA-N 1 1 334.445 0.723 20 30 ECEDMO C[C@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@H+]1CCO ZINC000249583028 436824025 /nfs/dbraw/zinc/82/40/25/436824025.db2.gz RWYNXBPXBKUJTG-JSGCOSHPSA-N 1 1 334.445 0.723 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000293900754 436918934 /nfs/dbraw/zinc/91/89/34/436918934.db2.gz VZISCESXENYZDA-UHFFFAOYSA-N 1 1 340.449 0.468 20 30 ECEDMO Cc1nc(C#N)c(C#N)n1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000135488122 436919161 /nfs/dbraw/zinc/91/91/61/436919161.db2.gz YTCRPZFNWDFCNG-CQSZACIVSA-N 1 1 344.419 0.408 20 30 ECEDMO CC#CCN(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000293509134 436882544 /nfs/dbraw/zinc/88/25/44/436882544.db2.gz QNQSPVMPXOBRAJ-UHFFFAOYSA-N 1 1 343.427 0.982 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCN(c2cccs2)CC1 ZINC000261856423 436892198 /nfs/dbraw/zinc/89/21/98/436892198.db2.gz YTXCDQWYVSBYAS-OAHLLOKOSA-N 1 1 348.520 0.445 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000293734381 436905091 /nfs/dbraw/zinc/90/50/91/436905091.db2.gz GYTYZPXDLRWEIM-UHFFFAOYSA-N 1 1 330.431 0.768 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1c(OC)cccc1OC ZINC000293745615 436905340 /nfs/dbraw/zinc/90/53/40/436905340.db2.gz IFAVUSGOELKGBM-UHFFFAOYSA-N 1 1 326.418 0.937 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000162471508 436907774 /nfs/dbraw/zinc/90/77/74/436907774.db2.gz XAEKGWGUTVUEBY-QAPCUYQASA-N 1 1 347.463 0.033 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CCNC(=O)c1ccc(C)cc1O ZINC000294059676 436929748 /nfs/dbraw/zinc/92/97/48/436929748.db2.gz UZGMXRUHJWVMLX-UHFFFAOYSA-N 1 1 331.416 0.892 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC000294052957 436930527 /nfs/dbraw/zinc/93/05/27/436930527.db2.gz UHRYRXBCVXHBRJ-HNNXBMFYSA-N 1 1 345.447 0.267 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(S(C)(=O)=O)ccc1OC ZINC000294082629 436933433 /nfs/dbraw/zinc/93/34/33/436933433.db2.gz WTSNFUPTZHSUKA-UHFFFAOYSA-N 1 1 338.429 0.784 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(S(C)(=O)=O)ccc1OC ZINC000294082629 436933435 /nfs/dbraw/zinc/93/34/35/436933435.db2.gz WTSNFUPTZHSUKA-UHFFFAOYSA-N 1 1 338.429 0.784 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000294714135 436960827 /nfs/dbraw/zinc/96/08/27/436960827.db2.gz YZFNUSCLTMCKDN-INIZCTEOSA-N 1 1 330.432 0.748 20 30 ECEDMO C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000283597611 437030298 /nfs/dbraw/zinc/03/02/98/437030298.db2.gz UGRSDMKRAJMGFA-UHFFFAOYSA-N 1 1 330.436 0.985 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2OC)C1 ZINC000264475639 437034451 /nfs/dbraw/zinc/03/44/51/437034451.db2.gz HCBFMSRACRZZGM-AWEZNQCLSA-N 1 1 333.388 0.783 20 30 ECEDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000296266461 436988245 /nfs/dbraw/zinc/98/82/45/436988245.db2.gz SUYLMPLPCHYUTO-CYBMUJFWSA-N 1 1 346.435 0.986 20 30 ECEDMO Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C#N)c1C ZINC000263808028 436990874 /nfs/dbraw/zinc/99/08/74/436990874.db2.gz QBAMHOQSRYAKSO-OAHLLOKOSA-N 1 1 328.420 0.708 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000296727716 436998489 /nfs/dbraw/zinc/99/84/89/436998489.db2.gz COHDMUKLVXKEDV-UHFFFAOYSA-N 1 1 329.448 0.864 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000297079376 437004551 /nfs/dbraw/zinc/00/45/51/437004551.db2.gz ZEZFCGBICVDVEP-OAHLLOKOSA-N 1 1 332.452 0.643 20 30 ECEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)c1C ZINC000285142382 437075752 /nfs/dbraw/zinc/07/57/52/437075752.db2.gz SXFCEWMMTCLWGK-SFHVURJKSA-N 1 1 344.415 0.472 20 30 ECEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)c1C ZINC000285142382 437075757 /nfs/dbraw/zinc/07/57/57/437075757.db2.gz SXFCEWMMTCLWGK-SFHVURJKSA-N 1 1 344.415 0.472 20 30 ECEDMO C=CCC[N@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000276332646 437090071 /nfs/dbraw/zinc/09/00/71/437090071.db2.gz BJOXHWQXIZMPMG-UHFFFAOYSA-N 1 1 325.434 0.501 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000286468234 437090898 /nfs/dbraw/zinc/09/08/98/437090898.db2.gz KLUUNBJXNDEUSB-KBPBESRZSA-N 1 1 325.478 0.965 20 30 ECEDMO C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC[N@H+](C)[C@H](C)CC)C1=O ZINC000286059550 437086988 /nfs/dbraw/zinc/08/69/88/437086988.db2.gz RXJAJOKDEWHPID-KGLIPLIRSA-N 1 1 338.452 0.078 20 30 ECEDMO CN1C(=O)N[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000286138590 437087403 /nfs/dbraw/zinc/08/74/03/437087403.db2.gz XMXCMXFUKKWLEF-CABCVRRESA-N 1 1 327.388 0.985 20 30 ECEDMO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000276936077 437177927 /nfs/dbraw/zinc/17/79/27/437177927.db2.gz JHZJDXYAHMSLBE-SJORKVTESA-N 1 1 334.441 0.126 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCS2(=O)=O)c1 ZINC000316982322 437191162 /nfs/dbraw/zinc/19/11/62/437191162.db2.gz KANCBFMCSPIYGZ-AWEZNQCLSA-N 1 1 342.442 0.499 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000178487019 437216259 /nfs/dbraw/zinc/21/62/59/437216259.db2.gz MFXGDNQXRGBSHC-ZDUSSCGKSA-N 1 1 344.415 0.890 20 30 ECEDMO CO[C@H]1C[C@H](C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)N(C(C)=O)C1 ZINC000328709191 437253973 /nfs/dbraw/zinc/25/39/73/437253973.db2.gz MLRZUWKKZUEKJY-LSDHHAIUSA-N 1 1 340.468 0.605 20 30 ECEDMO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000329042202 437307424 /nfs/dbraw/zinc/30/74/24/437307424.db2.gz TVBLFWBGGQYBFU-BZUAXINKSA-N 1 1 338.452 0.359 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000336907053 437308387 /nfs/dbraw/zinc/30/83/87/437308387.db2.gz FIJHMVWKVZZCEA-UHFFFAOYSA-N 1 1 346.497 0.947 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000336917133 437311624 /nfs/dbraw/zinc/31/16/24/437311624.db2.gz NWVSJXSETAWTIM-HUUCEWRRSA-N 1 1 346.497 0.803 20 30 ECEDMO C#CCNc1nc(NC[C@@H](C)CCO)nc(NC[C@@H](C)CCO)[nH+]1 ZINC000288402794 437318853 /nfs/dbraw/zinc/31/88/53/437318853.db2.gz MYIZOIGMHNKOKI-STQMWFEESA-N 1 1 336.440 0.778 20 30 ECEDMO CC(C)[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)N1CC[NH+](C)CC1 ZINC000336973493 437320484 /nfs/dbraw/zinc/32/04/84/437320484.db2.gz MQWSUMPKUAZDNM-ZIAGYGMSSA-N 1 1 333.440 0.099 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](C(=O)NC)[C@@H](c3cnn(C)c3)C2)C1=O ZINC000329113131 437321483 /nfs/dbraw/zinc/32/14/83/437321483.db2.gz HHRRTLUHOWOYNT-QLFBSQMISA-N 1 1 331.420 0.809 20 30 ECEDMO CC(C)[C@H](CNC(=O)N(C)[C@@H]1CCNC1=O)N1CC[NH+](C)CC1 ZINC000328883452 437278588 /nfs/dbraw/zinc/27/85/88/437278588.db2.gz MFLVPQKZFPNADT-KGLIPLIRSA-N 1 1 325.457 0.833 20 30 ECEDMO C=CCNC(=O)CNC(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000180417218 437290489 /nfs/dbraw/zinc/29/04/89/437290489.db2.gz LYHKYLXLVHTBMH-UHFFFAOYSA-N 1 1 325.457 0.006 20 30 ECEDMO C[C@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329300922 437349491 /nfs/dbraw/zinc/34/94/91/437349491.db2.gz MREAHKQKHFLCDG-LBPRGKRZSA-N 1 1 329.466 0.965 20 30 ECEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC1(O)CCOCC1 ZINC000329381364 437359679 /nfs/dbraw/zinc/35/96/79/437359679.db2.gz QHDFAYMQFFYSIP-CQSZACIVSA-N 1 1 343.468 0.609 20 30 ECEDMO C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1 ZINC000337512949 437361327 /nfs/dbraw/zinc/36/13/27/437361327.db2.gz GKMMJIPNLUMEAE-UHFFFAOYSA-N 1 1 345.403 0.755 20 30 ECEDMO Cc1noc(C2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)n1 ZINC000329452398 437371196 /nfs/dbraw/zinc/37/11/96/437371196.db2.gz NGEQHLSEMUHXQQ-CQSZACIVSA-N 1 1 336.440 0.717 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000329236806 437338901 /nfs/dbraw/zinc/33/89/01/437338901.db2.gz ONMJVJOTAQQXQB-GFCCVEGCSA-N 1 1 345.403 0.304 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000338343079 437405016 /nfs/dbraw/zinc/40/50/16/437405016.db2.gz HWKGGSTWQWIHIJ-NWDGAFQWSA-N 1 1 332.408 0.639 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000338343079 437405019 /nfs/dbraw/zinc/40/50/19/437405019.db2.gz HWKGGSTWQWIHIJ-NWDGAFQWSA-N 1 1 332.408 0.639 20 30 ECEDMO CC(C)[C@H](CNC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CC[NH+](C)CC1 ZINC000329752937 437409331 /nfs/dbraw/zinc/40/93/31/437409331.db2.gz JTYUJXGFFZJJSS-QAETUUGQSA-N 1 1 338.496 0.875 20 30 ECEDMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000329831049 437418929 /nfs/dbraw/zinc/41/89/29/437418929.db2.gz JYZRNBRKBHYQIS-UHFFFAOYSA-N 1 1 332.389 0.198 20 30 ECEDMO Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000338872915 437424374 /nfs/dbraw/zinc/42/43/74/437424374.db2.gz PDBDBRCPIVQQDB-UHFFFAOYSA-N 1 1 343.391 0.986 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000337997034 437385719 /nfs/dbraw/zinc/38/57/19/437385719.db2.gz DFOJODMLXLRQPE-UHFFFAOYSA-N 1 1 346.406 0.687 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000329676294 437400946 /nfs/dbraw/zinc/40/09/46/437400946.db2.gz PLZRNWTUZQGHAD-CABCVRRESA-N 1 1 334.420 0.800 20 30 ECEDMO Cc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)c(=O)n1C ZINC000330206289 437469502 /nfs/dbraw/zinc/46/95/02/437469502.db2.gz DDPBUZGWOUYQFO-ZDUSSCGKSA-N 1 1 336.436 0.666 20 30 ECEDMO Cc1cccc(C[NH+]2CCN(C(=O)NCc3nnn(C)n3)CC2)c1 ZINC000330222628 437471283 /nfs/dbraw/zinc/47/12/83/437471283.db2.gz MPCZRJIYEMQZJH-UHFFFAOYSA-N 1 1 329.408 0.750 20 30 ECEDMO CCn1cc(-c2nn(C)cc2C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000330233154 437473663 /nfs/dbraw/zinc/47/36/63/437473663.db2.gz RYDZPBMUEFPTFZ-AWEZNQCLSA-N 1 1 345.451 0.854 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000330251270 437474338 /nfs/dbraw/zinc/47/43/38/437474338.db2.gz HNTXRUPRLYUOMX-HOCLYGCPSA-N 1 1 333.432 0.945 20 30 ECEDMO C[C@@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CCS1(=O)=O ZINC000330254476 437474434 /nfs/dbraw/zinc/47/44/34/437474434.db2.gz PFOYJLBODQLWIZ-TZMCWYRMSA-N 1 1 349.522 0.847 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000330260310 437476071 /nfs/dbraw/zinc/47/60/71/437476071.db2.gz OFERKGUBYQNIRI-JTQLQIEISA-N 1 1 325.442 0.251 20 30 ECEDMO C[C@H](Cn1cncn1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000330254623 437476894 /nfs/dbraw/zinc/47/68/94/437476894.db2.gz JNEPFPPHBABEGN-ZIAGYGMSSA-N 1 1 336.440 0.766 20 30 ECEDMO CCC(=O)N1CC[C@H](NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000329922562 437433228 /nfs/dbraw/zinc/43/32/28/437433228.db2.gz GKXRHPNFOAUQEZ-CABCVRRESA-N 1 1 339.484 0.527 20 30 ECEDMO CS(=O)(=O)N1CCN(CC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329939060 437433796 /nfs/dbraw/zinc/43/37/96/437433796.db2.gz FJZDJUARBQFIOQ-ZDUSSCGKSA-N 1 1 344.481 0.004 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000185598509 437445412 /nfs/dbraw/zinc/44/54/12/437445412.db2.gz FBDGJJLIGBNEMB-UHFFFAOYSA-N 1 1 338.795 0.581 20 30 ECEDMO Cn1cnc2c(c1=O)CCN(C(=O)NCC[N@@H+](C)C1CCCC1)C2 ZINC000330068661 437450589 /nfs/dbraw/zinc/45/05/89/437450589.db2.gz VPMKDZYESBJAQM-UHFFFAOYSA-N 1 1 333.436 0.927 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@]2(C)CCOC2)CC1 ZINC000330149411 437460333 /nfs/dbraw/zinc/46/03/33/437460333.db2.gz VDSHOZZFCJYMGI-PBHICJAKSA-N 1 1 338.452 0.565 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC[N@@H+]1C[C@H](C)O ZINC000330375693 437496068 /nfs/dbraw/zinc/49/60/68/437496068.db2.gz CZFGOEZQAVJCMA-HZSPNIEDSA-N 1 1 332.470 0.100 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC[N@H+]1C[C@H](C)O ZINC000330375693 437496074 /nfs/dbraw/zinc/49/60/74/437496074.db2.gz CZFGOEZQAVJCMA-HZSPNIEDSA-N 1 1 332.470 0.100 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000359984459 437497966 /nfs/dbraw/zinc/49/79/66/437497966.db2.gz LUCNBBIWKUMCPB-ZDUSSCGKSA-N 1 1 328.416 0.988 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(C#N)CC2)C1 ZINC000339724401 437501812 /nfs/dbraw/zinc/50/18/12/437501812.db2.gz VWCVNYMOIRMTOR-OAHLLOKOSA-N 1 1 336.436 0.222 20 30 ECEDMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2sccc2C#N)CC1 ZINC000339858732 437508005 /nfs/dbraw/zinc/50/80/05/437508005.db2.gz FKOKYRAGUOWOBS-UHFFFAOYSA-N 1 1 349.460 0.700 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 ZINC000330438318 437511101 /nfs/dbraw/zinc/51/11/01/437511101.db2.gz BXSANIFVZVVTFK-LBPRGKRZSA-N 1 1 345.421 0.555 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000330477243 437524186 /nfs/dbraw/zinc/52/41/86/437524186.db2.gz IRNJYVNWJZELKK-CQSZACIVSA-N 1 1 326.441 0.205 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc(C#N)s2)[N@H+](C)C1 ZINC000330506984 437533757 /nfs/dbraw/zinc/53/37/57/437533757.db2.gz DTBBLMWEFCZJQL-QWRGUYRKSA-N 1 1 329.447 0.959 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc(C#N)s2)[N@@H+](C)C1 ZINC000330506984 437533765 /nfs/dbraw/zinc/53/37/65/437533765.db2.gz DTBBLMWEFCZJQL-QWRGUYRKSA-N 1 1 329.447 0.959 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000330557955 437552693 /nfs/dbraw/zinc/55/26/93/437552693.db2.gz IDGCOVWPOSUYMY-WMLDXEAASA-N 1 1 336.436 0.196 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC000330582194 437558591 /nfs/dbraw/zinc/55/85/91/437558591.db2.gz LJABGLBNGBUGHL-AAEUAGOBSA-N 1 1 325.365 0.670 20 30 ECEDMO O=C(C[N@H+]1CCC[C@@H](OCCO)C1)NC(=O)NC1CCCCC1 ZINC000330825707 437624747 /nfs/dbraw/zinc/62/47/47/437624747.db2.gz WAWGQHPCDOYXRA-CQSZACIVSA-N 1 1 327.425 0.823 20 30 ECEDMO O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)NC(=O)NC1CCCCC1 ZINC000330825707 437624752 /nfs/dbraw/zinc/62/47/52/437624752.db2.gz WAWGQHPCDOYXRA-CQSZACIVSA-N 1 1 327.425 0.823 20 30 ECEDMO C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000330625600 437571502 /nfs/dbraw/zinc/57/15/02/437571502.db2.gz HSDDCGGHMUCMCO-SJORKVTESA-N 1 1 335.496 0.706 20 30 ECEDMO CCNC(=O)NC(=O)[C@H](C)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000330627208 437572506 /nfs/dbraw/zinc/57/25/06/437572506.db2.gz WXWCXSHSUFYHIA-LBPRGKRZSA-N 1 1 335.408 0.651 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@@H](C)[NH+]1C ZINC000343421954 437579262 /nfs/dbraw/zinc/57/92/62/437579262.db2.gz FILRRMLCCOTCSG-VXGBXAGGSA-N 1 1 346.435 0.999 20 30 ECEDMO COC(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000330820831 437626027 /nfs/dbraw/zinc/62/60/27/437626027.db2.gz DDGLBTBDEITIEK-ZIAGYGMSSA-N 1 1 327.425 0.754 20 30 ECEDMO Cc1noc(CCCNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000330829592 437627720 /nfs/dbraw/zinc/62/77/20/437627720.db2.gz GUCAQWSGPYNRTK-NEPJUHHUSA-N 1 1 325.413 0.612 20 30 ECEDMO CN1CCO[C@H](CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000330919568 437649703 /nfs/dbraw/zinc/64/97/03/437649703.db2.gz YUYSWCGBPGWEHW-OAHLLOKOSA-N 1 1 328.457 0.010 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000360800749 437650302 /nfs/dbraw/zinc/65/03/02/437650302.db2.gz ZALRACSWXXQXIP-UHFFFAOYSA-N 1 1 346.435 0.806 20 30 ECEDMO COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292060483 437653281 /nfs/dbraw/zinc/65/32/81/437653281.db2.gz BYACYQUQNCJSFQ-NUEKZKHPSA-N 1 1 335.404 0.819 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000292165853 437664707 /nfs/dbraw/zinc/66/47/07/437664707.db2.gz DFNHEFVCIDADCZ-UHFFFAOYSA-N 1 1 342.440 0.859 20 30 ECEDMO CN(CCCNS(=O)(=O)c1ccc(C#N)c(F)c1)CC[NH+](C)C ZINC000292165853 437664712 /nfs/dbraw/zinc/66/47/12/437664712.db2.gz DFNHEFVCIDADCZ-UHFFFAOYSA-N 1 1 342.440 0.859 20 30 ECEDMO Cn1c(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c(C#N)c(=O)n(C)c1=O ZINC000361809983 437689698 /nfs/dbraw/zinc/68/96/98/437689698.db2.gz BGMIVBABRWPQSL-UONOGXRCSA-N 1 1 347.419 0.011 20 30 ECEDMO CSc1c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cnn1C ZINC000331070213 437683491 /nfs/dbraw/zinc/68/34/91/437683491.db2.gz CGXCUPPHFUESQJ-UHFFFAOYSA-N 1 1 325.438 0.611 20 30 ECEDMO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@@H]1OC ZINC000331100319 437686862 /nfs/dbraw/zinc/68/68/62/437686862.db2.gz FMNXWOPXQLNUKO-HLTSFMKQSA-N 1 1 327.303 0.313 20 30 ECEDMO CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@@H]1OC ZINC000331100319 437686864 /nfs/dbraw/zinc/68/68/64/437686864.db2.gz FMNXWOPXQLNUKO-HLTSFMKQSA-N 1 1 327.303 0.313 20 30 ECEDMO CO[C@@H]1C[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@H]1OC ZINC000331102527 437688511 /nfs/dbraw/zinc/68/85/11/437688511.db2.gz GTQZMQSZJJYQOI-BZUAXINKSA-N 1 1 338.452 0.024 20 30 ECEDMO CC(C)N1C[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1=O ZINC000331158466 437702629 /nfs/dbraw/zinc/70/26/29/437702629.db2.gz DQYHECYZRSSSKP-AWEZNQCLSA-N 1 1 340.468 0.688 20 30 ECEDMO COc1cc(C#N)ccc1S(=O)(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000362131091 437719866 /nfs/dbraw/zinc/71/98/66/437719866.db2.gz UMQOFKLKGZOJID-UHFFFAOYSA-N 1 1 349.416 0.845 20 30 ECEDMO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000370354491 437768606 /nfs/dbraw/zinc/76/86/06/437768606.db2.gz DDXSVYZOEFLDDC-IKGGRYGDSA-N 1 1 336.480 0.916 20 30 ECEDMO CCOC(=O)c1cnc(NC(=O)NC[C@@H]2CN(C)CCN2C)n1C ZINC000331245864 437725992 /nfs/dbraw/zinc/72/59/92/437725992.db2.gz UJWQVVLNOJLAIJ-LLVKDONJSA-N 1 1 338.412 0.169 20 30 ECEDMO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 ZINC000331281553 437732024 /nfs/dbraw/zinc/73/20/24/437732024.db2.gz UWXWWSIBVPPMHW-ZYHUDNBSSA-N 1 1 343.424 0.450 20 30 ECEDMO C[C@H]1[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCC[N@H+]1C ZINC000344434876 437753941 /nfs/dbraw/zinc/75/39/41/437753941.db2.gz UVJRHWLITXXWSX-WCQYABFASA-N 1 1 346.435 1.047 20 30 ECEDMO C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)n1cnc(C#N)n1 ZINC000344463011 437755170 /nfs/dbraw/zinc/75/51/70/437755170.db2.gz PTAKHKNMJKAGJD-XQQFMLRXSA-N 1 1 334.424 0.715 20 30 ECEDMO C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)n1cnc(C#N)n1 ZINC000344463011 437755172 /nfs/dbraw/zinc/75/51/72/437755172.db2.gz PTAKHKNMJKAGJD-XQQFMLRXSA-N 1 1 334.424 0.715 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000346675609 437819316 /nfs/dbraw/zinc/81/93/16/437819316.db2.gz WOBMKKPIVQJXNR-DOTOQJQBSA-N 1 1 333.432 0.686 20 30 ECEDMO C[C@@H](CO)N1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000346675609 437819320 /nfs/dbraw/zinc/81/93/20/437819320.db2.gz WOBMKKPIVQJXNR-DOTOQJQBSA-N 1 1 333.432 0.686 20 30 ECEDMO C[C@@H](CO)N1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000346675609 437819324 /nfs/dbraw/zinc/81/93/24/437819324.db2.gz WOBMKKPIVQJXNR-DOTOQJQBSA-N 1 1 333.432 0.686 20 30 ECEDMO C=CCN(CC=C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000346764204 437821681 /nfs/dbraw/zinc/82/16/81/437821681.db2.gz DAQILVBHVMCNFF-MRXNPFEDSA-N 1 1 335.448 0.900 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000345199601 437782645 /nfs/dbraw/zinc/78/26/45/437782645.db2.gz FDMLCIFNEABNIS-CQSZACIVSA-N 1 1 331.424 0.713 20 30 ECEDMO C[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C[NH+]1CCOCC1 ZINC000363337981 437783980 /nfs/dbraw/zinc/78/39/80/437783980.db2.gz YCVHBWSSZFVQEN-ZBFHGGJFSA-N 1 1 335.452 0.336 20 30 ECEDMO CC[NH+]1CCN(CCCCNC(=O)CNc2ccc(C#N)cn2)CC1 ZINC000345439311 437790354 /nfs/dbraw/zinc/79/03/54/437790354.db2.gz UGWXIKDICORACI-UHFFFAOYSA-N 1 1 344.463 0.899 20 30 ECEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000345697238 437797843 /nfs/dbraw/zinc/79/78/43/437797843.db2.gz QZDAZXOIHWITEB-MRXNPFEDSA-N 1 1 345.447 0.977 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000364220631 437813504 /nfs/dbraw/zinc/81/35/04/437813504.db2.gz JGBYMTSNOFKSDA-WBVHZDCISA-N 1 1 348.495 0.394 20 30 ECEDMO CNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000364303491 437814180 /nfs/dbraw/zinc/81/41/80/437814180.db2.gz NJKBNYBSLIFDOA-MRXNPFEDSA-N 1 1 328.416 0.921 20 30 ECEDMO CNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)N(C)CCC#N ZINC000364303491 437814183 /nfs/dbraw/zinc/81/41/83/437814183.db2.gz NJKBNYBSLIFDOA-MRXNPFEDSA-N 1 1 328.416 0.921 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000346529405 437814672 /nfs/dbraw/zinc/81/46/72/437814672.db2.gz KGOBCMISAYOQIO-WDEREUQCSA-N 1 1 346.353 0.938 20 30 ECEDMO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)[C@@H]1C(=O)OC ZINC000357022049 437889895 /nfs/dbraw/zinc/88/98/95/437889895.db2.gz RZVMDXXFDVUPHH-OCCSQVGLSA-N 1 1 339.392 0.175 20 30 ECEDMO COC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H]1C(=O)OC ZINC000357022049 437889902 /nfs/dbraw/zinc/88/99/02/437889902.db2.gz RZVMDXXFDVUPHH-OCCSQVGLSA-N 1 1 339.392 0.175 20 30 ECEDMO C=CC[C@H](CO)CNC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000341838978 437907876 /nfs/dbraw/zinc/90/78/76/437907876.db2.gz IYXIQTJZVIBXLW-CVEARBPZSA-N 1 1 326.485 0.744 20 30 ECEDMO C[NH+](C)CCN(C(=O)c1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 ZINC000342202052 437977965 /nfs/dbraw/zinc/97/79/65/437977965.db2.gz GNXBHGJDVOXTRT-NSHDSACASA-N 1 1 325.390 0.342 20 30 ECEDMO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000341983027 437935821 /nfs/dbraw/zinc/93/58/21/437935821.db2.gz SXNCOVVWPIMBRL-KBPBESRZSA-N 1 1 336.436 0.351 20 30 ECEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)CC(=O)N(CCC#N)CCC#N ZINC000342512772 438025059 /nfs/dbraw/zinc/02/50/59/438025059.db2.gz HDALMSONUCIFIX-UHFFFAOYSA-N 1 1 348.495 0.600 20 30 ECEDMO CN(CCN(C)C1CC[NH+](C)CC1)CC(=O)N(CCC#N)CCC#N ZINC000342512772 438025065 /nfs/dbraw/zinc/02/50/65/438025065.db2.gz HDALMSONUCIFIX-UHFFFAOYSA-N 1 1 348.495 0.600 20 30 ECEDMO C=CCn1cc(CNC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)nn1 ZINC000425635467 438029837 /nfs/dbraw/zinc/02/98/37/438029837.db2.gz FHFUPCITPSOLSX-INIZCTEOSA-N 1 1 349.483 0.535 20 30 ECEDMO CN(c1cnc(C#N)cn1)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000372178060 438044382 /nfs/dbraw/zinc/04/43/82/438044382.db2.gz GYHGOQMKZSFSCM-UHFFFAOYSA-N 1 1 328.420 0.871 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC000426163286 438049889 /nfs/dbraw/zinc/04/98/89/438049889.db2.gz VYBJYNWVLLCAGT-IINYFYTJSA-N 1 1 346.353 0.795 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000348088140 438008959 /nfs/dbraw/zinc/00/89/59/438008959.db2.gz PNTUQSJUDAGDSZ-OFQRWUPVSA-N 1 1 337.443 0.955 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000348088138 438009255 /nfs/dbraw/zinc/00/92/55/438009255.db2.gz PNTUQSJUDAGDSZ-DZKIICNBSA-N 1 1 337.443 0.955 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366485933 438084775 /nfs/dbraw/zinc/08/47/75/438084775.db2.gz XAYTTWYTFRCEJA-MJGOQNOKSA-N 1 1 347.507 0.706 20 30 ECEDMO CC(C)(O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000372508454 438089920 /nfs/dbraw/zinc/08/99/20/438089920.db2.gz WBYRATSRVKQWPP-UHFFFAOYSA-N 1 1 344.415 0.802 20 30 ECEDMO Cn1c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(=O)n(C)c1=O ZINC000366439165 438073919 /nfs/dbraw/zinc/07/39/19/438073919.db2.gz MOOUMHNCZKSCAY-CQSZACIVSA-N 1 1 341.371 0.004 20 30 ECEDMO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000366664696 438112274 /nfs/dbraw/zinc/11/22/74/438112274.db2.gz DLPLXSCBHYLWPI-AWEZNQCLSA-N 1 1 332.404 0.596 20 30 ECEDMO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000357996973 438121143 /nfs/dbraw/zinc/12/11/43/438121143.db2.gz SVKQPQOMELDWAY-CABCVRRESA-N 1 1 325.453 0.932 20 30 ECEDMO CN1C[C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CCN2C1=O ZINC000373226856 438135892 /nfs/dbraw/zinc/13/58/92/438135892.db2.gz IUBYPLRHJPCAAM-CABCVRRESA-N 1 1 330.388 0.350 20 30 ECEDMO CN1C[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CCN2C1=O ZINC000373226856 438135894 /nfs/dbraw/zinc/13/58/94/438135894.db2.gz IUBYPLRHJPCAAM-CABCVRRESA-N 1 1 330.388 0.350 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)C1=O ZINC000366892373 438140872 /nfs/dbraw/zinc/14/08/72/438140872.db2.gz JCJPGZCDQQYZLU-INIZCTEOSA-N 1 1 334.464 0.403 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(CC(=O)N3CCCC3)CC2)C1=O ZINC000366892373 438140875 /nfs/dbraw/zinc/14/08/75/438140875.db2.gz JCJPGZCDQQYZLU-INIZCTEOSA-N 1 1 334.464 0.403 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1=O ZINC000366892373 438140877 /nfs/dbraw/zinc/14/08/77/438140877.db2.gz JCJPGZCDQQYZLU-INIZCTEOSA-N 1 1 334.464 0.403 20 30 ECEDMO C=CCN1CC[C@H](N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1=O ZINC000366892373 438140879 /nfs/dbraw/zinc/14/08/79/438140879.db2.gz JCJPGZCDQQYZLU-INIZCTEOSA-N 1 1 334.464 0.403 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358204124 438179773 /nfs/dbraw/zinc/17/97/73/438179773.db2.gz FMUAKBBQAUZHPO-UMVBOHGHSA-N 1 1 344.481 0.430 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358204124 438179775 /nfs/dbraw/zinc/17/97/75/438179775.db2.gz FMUAKBBQAUZHPO-UMVBOHGHSA-N 1 1 344.481 0.430 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])C[C@@]12c1ccccc1NC2=O ZINC000418537112 438159008 /nfs/dbraw/zinc/15/90/08/438159008.db2.gz ICRJDBUFPXMCOE-HWPZZCPQSA-N 1 1 349.341 0.635 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000358124570 438159362 /nfs/dbraw/zinc/15/93/62/438159362.db2.gz NYRFIRAEMPDKKH-OAHLLOKOSA-N 1 1 336.779 0.333 20 30 ECEDMO Cn1cc[nH+]c1[C@H]1CCN(c2cc(S(N)(=O)=O)ccc2C#N)C1 ZINC000367333344 438196675 /nfs/dbraw/zinc/19/66/75/438196675.db2.gz QMEWKARMQMYMEG-LBPRGKRZSA-N 1 1 331.401 0.933 20 30 ECEDMO C[NH+](C)[C@H](CNC(=O)NCC(=O)NCC#N)c1ccccc1Cl ZINC000358317053 438199229 /nfs/dbraw/zinc/19/92/29/438199229.db2.gz UEQWFYZDRYPEPH-CYBMUJFWSA-N 1 1 337.811 0.882 20 30 ECEDMO N#CC1(C(=O)NCCCCN2CC[NH+](CCO)CC2)CCCCC1 ZINC000432543005 438200637 /nfs/dbraw/zinc/20/06/37/438200637.db2.gz RUELHZCZAXLAPH-UHFFFAOYSA-N 1 1 336.480 0.967 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375616040 438257730 /nfs/dbraw/zinc/25/77/30/438257730.db2.gz CVJTXZMNBLDERG-YIONKMFJSA-N 1 1 344.481 0.650 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000375779976 438262013 /nfs/dbraw/zinc/26/20/13/438262013.db2.gz NLCUZLIXBIXUOS-QEJZJMRPSA-N 1 1 349.435 0.708 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000376383690 438281765 /nfs/dbraw/zinc/28/17/65/438281765.db2.gz GYCWFUVRPPXBET-QLFBSQMISA-N 1 1 344.481 0.413 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC(=O)NCC#N ZINC000377076985 438301644 /nfs/dbraw/zinc/30/16/44/438301644.db2.gz GTMLPYVAOAPRCY-OAHLLOKOSA-N 1 1 343.431 0.932 20 30 ECEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC(=O)NCC#N)C1 ZINC000377058774 438302368 /nfs/dbraw/zinc/30/23/68/438302368.db2.gz ANVGHYUQAMHQHS-HNNXBMFYSA-N 1 1 329.404 0.542 20 30 ECEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCC(=O)NCC#N ZINC000377084185 438302812 /nfs/dbraw/zinc/30/28/12/438302812.db2.gz URZTUPOBQBKHRD-OAHLLOKOSA-N 1 1 343.431 0.932 20 30 ECEDMO CNC(=O)CN1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000368829078 438388667 /nfs/dbraw/zinc/38/86/67/438388667.db2.gz IYYPXWWPLKGAPN-UHFFFAOYSA-N 1 1 343.431 0.641 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)C1CCN(c2cccnn2)CC1 ZINC000378108940 438352187 /nfs/dbraw/zinc/35/21/87/438352187.db2.gz IIBKHFLOOIKBBZ-UHFFFAOYSA-N 1 1 332.408 0.389 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369208427 438438954 /nfs/dbraw/zinc/43/89/54/438438954.db2.gz XURZFAIAIKXIDS-BARDWOONSA-N 1 1 326.466 0.881 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000359262218 438395369 /nfs/dbraw/zinc/39/53/69/438395369.db2.gz LMCCTAIIIOUUMM-ZNMIVQPWSA-N 1 1 325.453 0.930 20 30 ECEDMO Cc1oc(C#N)cc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000436200116 438403054 /nfs/dbraw/zinc/40/30/54/438403054.db2.gz RDKDLTPQGQSFFS-UHFFFAOYSA-N 1 1 334.420 0.580 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000352258423 438403340 /nfs/dbraw/zinc/40/33/40/438403340.db2.gz WUSABOHHUNPTKU-UHFFFAOYSA-N 1 1 338.433 0.421 20 30 ECEDMO C=CCCC[C@H](C)NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000352316528 438408924 /nfs/dbraw/zinc/40/89/24/438408924.db2.gz VLXHERYZJZKVSM-HNNXBMFYSA-N 1 1 338.496 0.990 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000359347673 438416179 /nfs/dbraw/zinc/41/61/79/438416179.db2.gz STSZALLIFOOGSH-HOTGVXAUSA-N 1 1 349.479 0.243 20 30 ECEDMO N#Cc1ccc(NC(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000405372191 438470243 /nfs/dbraw/zinc/47/02/43/438470243.db2.gz ZKAOLHXXSNTXRS-UONOGXRCSA-N 1 1 334.807 0.901 20 30 ECEDMO CC(C)(C)OC(=O)CNC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000369731514 438510570 /nfs/dbraw/zinc/51/05/70/438510570.db2.gz VNTHBDAZLBBHDT-UHFFFAOYSA-N 1 1 348.407 0.245 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000370080414 438549403 /nfs/dbraw/zinc/54/94/03/438549403.db2.gz FXRIHRHHEHTFQC-FUHWJXTLSA-N 1 1 334.464 0.526 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCC(C)(C)CC#N)CCCO1 ZINC000422385976 438560977 /nfs/dbraw/zinc/56/09/77/438560977.db2.gz YIBIZWJMQIGEQL-AWEZNQCLSA-N 1 1 338.452 0.660 20 30 ECEDMO N#CCCCS(=O)(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000443233849 438649953 /nfs/dbraw/zinc/64/99/53/438649953.db2.gz BPYSSDKQRZKJDC-MRXNPFEDSA-N 1 1 337.445 0.847 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000410909274 438667911 /nfs/dbraw/zinc/66/79/11/438667911.db2.gz KXUBRZPUQWNNRQ-MRXNPFEDSA-N 1 1 337.464 0.838 20 30 ECEDMO CC[N@H+](CCNS(=O)(=O)N(C)CCC#N)CCC(F)(F)F ZINC000494381417 438689541 /nfs/dbraw/zinc/68/95/41/438689541.db2.gz AOPFPTOBLOCQID-UHFFFAOYSA-N 1 1 330.376 0.941 20 30 ECEDMO CC[N@@H+](CCNS(=O)(=O)N(C)CCC#N)CCC(F)(F)F ZINC000494381417 438689543 /nfs/dbraw/zinc/68/95/43/438689543.db2.gz AOPFPTOBLOCQID-UHFFFAOYSA-N 1 1 330.376 0.941 20 30 ECEDMO CNc1nc(NCC(C)(C)CC#N)[nH+]c(NCC(C)(C)CC#N)n1 ZINC000413404566 438692716 /nfs/dbraw/zinc/69/27/16/438692716.db2.gz IIRGIGZTGFFQSI-UHFFFAOYSA-N 1 1 330.440 0.883 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453759405 438694311 /nfs/dbraw/zinc/69/43/11/438694311.db2.gz XNVNSMKQZJHZAT-UHFFFAOYSA-N 1 1 345.447 0.691 20 30 ECEDMO CN(CCCNC(=O)C(=O)Nc1cccc(CC#N)c1)CC[NH+](C)C ZINC000453759405 438694314 /nfs/dbraw/zinc/69/43/14/438694314.db2.gz XNVNSMKQZJHZAT-UHFFFAOYSA-N 1 1 345.447 0.691 20 30 ECEDMO C=CCOC[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(=O)OC ZINC000451383516 438697998 /nfs/dbraw/zinc/69/79/98/438697998.db2.gz LHPKQZNRUKLVAA-AWEZNQCLSA-N 1 1 330.344 0.741 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000451671285 438707071 /nfs/dbraw/zinc/70/70/71/438707071.db2.gz PXDRZDVXKIEKRS-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000451671285 438707073 /nfs/dbraw/zinc/70/70/73/438707073.db2.gz PXDRZDVXKIEKRS-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000554518453 438765073 /nfs/dbraw/zinc/76/50/73/438765073.db2.gz XGKVYMKMIOHNON-CABCVRRESA-N 1 1 344.481 0.413 20 30 ECEDMO N#Cc1ncn(CCNC(=O)NCC[NH+]2Cc3ccccc3C2)n1 ZINC000588116389 438817000 /nfs/dbraw/zinc/81/70/00/438817000.db2.gz OZQYFDJUEYAAPY-UHFFFAOYSA-N 1 1 325.376 0.465 20 30 ECEDMO C[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000588127453 438820745 /nfs/dbraw/zinc/82/07/45/438820745.db2.gz HXZLSKPLURZILW-HUUCEWRRSA-N 1 1 349.479 0.327 20 30 ECEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595551621 438823349 /nfs/dbraw/zinc/82/33/49/438823349.db2.gz JGLOFWXQOQRQQG-WMLDXEAASA-N 1 1 335.452 0.874 20 30 ECEDMO Cc1ccc(CNC(=O)NCC(=O)NCC#N)c(N2CCCC2)[nH+]1 ZINC000588176053 438824632 /nfs/dbraw/zinc/82/46/32/438824632.db2.gz WURGIPITHFYCDB-UHFFFAOYSA-N 1 1 330.392 0.429 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)nc1 ZINC000595634603 438838805 /nfs/dbraw/zinc/83/88/05/438838805.db2.gz GUXQCRULPLBKPW-QLFBSQMISA-N 1 1 335.429 0.820 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)nc1 ZINC000595634603 438838809 /nfs/dbraw/zinc/83/88/09/438838809.db2.gz GUXQCRULPLBKPW-QLFBSQMISA-N 1 1 335.429 0.820 20 30 ECEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000588830311 438841760 /nfs/dbraw/zinc/84/17/60/438841760.db2.gz WMAUTAKTRKLAAY-GDBMZVCRSA-N 1 1 328.416 0.832 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 ZINC000601333169 438849914 /nfs/dbraw/zinc/84/99/14/438849914.db2.gz BRFMCJDNWUAYAZ-CQSZACIVSA-N 1 1 330.432 0.835 20 30 ECEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000578199165 438906301 /nfs/dbraw/zinc/90/63/01/438906301.db2.gz YCWIJMRECKPWAZ-CHWSQXEVSA-N 1 1 330.454 0.166 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563415707 438863933 /nfs/dbraw/zinc/86/39/33/438863933.db2.gz FLXUGPBSKNILAH-CABCVRRESA-N 1 1 344.481 0.652 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)[C@](C)(CO)C2)CC1 ZINC000595875560 438875877 /nfs/dbraw/zinc/87/58/77/438875877.db2.gz QUGFJYUJMYTTGG-BQFCYCMXSA-N 1 1 336.480 0.629 20 30 ECEDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(C#N)n3)CC[C@H]21 ZINC000564947275 438892308 /nfs/dbraw/zinc/89/23/08/438892308.db2.gz HKYNOVOTWPXGBP-GXTWGEPZSA-N 1 1 327.388 0.834 20 30 ECEDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000589929519 438893983 /nfs/dbraw/zinc/89/39/83/438893983.db2.gz JOTYXGLMPCPUJR-GWCFXTLKSA-N 1 1 336.373 0.791 20 30 ECEDMO C[C@H]1NC(=O)N(CC[N@@H+](C)CCOCc2ccc(C#N)cc2)C1=O ZINC000459527777 438972998 /nfs/dbraw/zinc/97/29/98/438972998.db2.gz LAMIDRIXVXAQSU-CYBMUJFWSA-N 1 1 330.388 0.947 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@](O)(CO)C3)C2=O)cc1 ZINC000459627309 438980333 /nfs/dbraw/zinc/98/03/33/438980333.db2.gz DFIVDSXZXZMWQN-AEFFLSMTSA-N 1 1 329.400 0.873 20 30 ECEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@](O)(CO)C3)C2=O)cc1 ZINC000459627309 438980339 /nfs/dbraw/zinc/98/03/39/438980339.db2.gz DFIVDSXZXZMWQN-AEFFLSMTSA-N 1 1 329.400 0.873 20 30 ECEDMO CN1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)NC1=O ZINC000596695926 438991671 /nfs/dbraw/zinc/99/16/71/438991671.db2.gz YQYMTRRWKZWMRV-INIZCTEOSA-N 1 1 341.415 0.616 20 30 ECEDMO CN1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)NC1=O ZINC000596695926 438991676 /nfs/dbraw/zinc/99/16/76/438991676.db2.gz YQYMTRRWKZWMRV-INIZCTEOSA-N 1 1 341.415 0.616 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CN(c3ccncn3)C2)c1 ZINC000601970315 438994069 /nfs/dbraw/zinc/99/40/69/438994069.db2.gz VYZDNLOFCGACPO-UHFFFAOYSA-N 1 1 343.412 0.600 20 30 ECEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000602029867 438999573 /nfs/dbraw/zinc/99/95/73/438999573.db2.gz KBJPYQHLXVVLNQ-HNNXBMFYSA-N 1 1 348.378 0.551 20 30 ECEDMO CN(CCC#N)C[C@@H](O)CNc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000566125621 439009633 /nfs/dbraw/zinc/00/96/33/439009633.db2.gz PDQSSMFVEHVWCB-INIZCTEOSA-N 1 1 333.436 0.805 20 30 ECEDMO Cn1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(=O)n(C)c1=O ZINC000597184438 439055108 /nfs/dbraw/zinc/05/51/08/439055108.db2.gz WUBBUNVJFABFOO-UHFFFAOYSA-N 1 1 345.428 0.339 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000566205473 439025192 /nfs/dbraw/zinc/02/51/92/439025192.db2.gz UHTLWCBQBKELEJ-CJNGLKHVSA-N 1 1 328.416 0.968 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)CC2(C#N)CCOCC2)C[C@H]1C ZINC000597471132 439105795 /nfs/dbraw/zinc/10/57/95/439105795.db2.gz VXYQSXSFJNUXBM-CQSZACIVSA-N 1 1 337.420 0.793 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)CC2(C#N)CCOCC2)C[C@H]1C ZINC000597471132 439105800 /nfs/dbraw/zinc/10/58/00/439105800.db2.gz VXYQSXSFJNUXBM-CQSZACIVSA-N 1 1 337.420 0.793 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000470808467 439083868 /nfs/dbraw/zinc/08/38/68/439083868.db2.gz PNTUQSJUDAGDSZ-YCPHGPKFSA-N 1 1 337.443 0.955 20 30 ECEDMO N#CC[C@@]1(O)CC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000592148038 439166809 /nfs/dbraw/zinc/16/68/09/439166809.db2.gz VNDKCZKLUSVWLA-QGZVFWFLSA-N 1 1 330.388 0.753 20 30 ECEDMO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149478 439167831 /nfs/dbraw/zinc/16/78/31/439167831.db2.gz PQTUHFIWEYAPAK-QAPCUYQASA-N 1 1 343.431 0.469 20 30 ECEDMO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149478 439167833 /nfs/dbraw/zinc/16/78/33/439167833.db2.gz PQTUHFIWEYAPAK-QAPCUYQASA-N 1 1 343.431 0.469 20 30 ECEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000592184245 439174818 /nfs/dbraw/zinc/17/48/18/439174818.db2.gz IQIIFLSFXHPBLX-ZDUSSCGKSA-N 1 1 334.342 0.749 20 30 ECEDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(C#N)cc1C ZINC000592388705 439218644 /nfs/dbraw/zinc/21/86/44/439218644.db2.gz NJZQALLENGRXBW-ZDUSSCGKSA-N 1 1 337.401 0.392 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)O1 ZINC000527537774 439277590 /nfs/dbraw/zinc/27/75/90/439277590.db2.gz GRUHCCGFVCXAGJ-UKRRQHHQSA-N 1 1 329.404 0.321 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)O1 ZINC000527537774 439277594 /nfs/dbraw/zinc/27/75/94/439277594.db2.gz GRUHCCGFVCXAGJ-UKRRQHHQSA-N 1 1 329.404 0.321 20 30 ECEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000603404074 439257114 /nfs/dbraw/zinc/25/71/14/439257114.db2.gz SKUVPZMZQKCHKL-UHFFFAOYSA-N 1 1 326.422 0.457 20 30 ECEDMO N#CCC1(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000603430339 439260155 /nfs/dbraw/zinc/26/01/55/439260155.db2.gz GYHKYIMOZMUMCC-MRXNPFEDSA-N 1 1 349.479 0.776 20 30 ECEDMO C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000603558293 439269823 /nfs/dbraw/zinc/26/98/23/439269823.db2.gz UPPNXNCIHQASPM-AWEZNQCLSA-N 1 1 344.415 0.558 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490925819 439312961 /nfs/dbraw/zinc/31/29/61/439312961.db2.gz YKBFZXPNPBNSAV-BPLDGKMQSA-N 1 1 339.461 0.301 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490925819 439312967 /nfs/dbraw/zinc/31/29/67/439312967.db2.gz YKBFZXPNPBNSAV-BPLDGKMQSA-N 1 1 339.461 0.301 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCOC3(CCOCC3)CC2)CC1 ZINC000490998010 439322116 /nfs/dbraw/zinc/32/21/16/439322116.db2.gz WJBQMACQFHSXIB-UHFFFAOYSA-N 1 1 335.448 0.035 20 30 ECEDMO N#CC[C@]1(O)CC[N@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000593034047 439332157 /nfs/dbraw/zinc/33/21/57/439332157.db2.gz CBANPXWZMMPWDS-INIZCTEOSA-N 1 1 335.429 0.978 20 30 ECEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000593034047 439332161 /nfs/dbraw/zinc/33/21/61/439332161.db2.gz CBANPXWZMMPWDS-INIZCTEOSA-N 1 1 335.429 0.978 20 30 ECEDMO CC1(C)CN(C[C@@H](O)COc2ccccc2C#N)CC[N@H+]1CCO ZINC000528463898 439339111 /nfs/dbraw/zinc/33/91/11/439339111.db2.gz CDOSGXXMTGIYDZ-MRXNPFEDSA-N 1 1 333.432 0.686 20 30 ECEDMO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCN1CCO ZINC000528463898 439339117 /nfs/dbraw/zinc/33/91/17/439339117.db2.gz CDOSGXXMTGIYDZ-MRXNPFEDSA-N 1 1 333.432 0.686 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000491123127 439334747 /nfs/dbraw/zinc/33/47/47/439334747.db2.gz ZQQQMBRUXBHWSQ-GJZGRUSLSA-N 1 1 337.420 0.496 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CN2CC3(CC2=O)CCOCC3)CC1 ZINC000491121613 439335423 /nfs/dbraw/zinc/33/54/23/439335423.db2.gz RIKFPCUQOSEQJO-UHFFFAOYSA-N 1 1 333.432 0.434 20 30 ECEDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCN1CCO ZINC000528463898 439339122 /nfs/dbraw/zinc/33/91/22/439339122.db2.gz CDOSGXXMTGIYDZ-MRXNPFEDSA-N 1 1 333.432 0.686 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@](O)(CC#N)C2)CC1=O ZINC000592844407 439288270 /nfs/dbraw/zinc/28/82/70/439288270.db2.gz JOOWKMZKYZFDHZ-HDMKZQKVSA-N 1 1 348.447 0.196 20 30 ECEDMO N#CC[C@@]1(O)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000592846570 439290120 /nfs/dbraw/zinc/29/01/20/439290120.db2.gz XNYCENPFXFSQCH-SJLPKXTDSA-N 1 1 329.400 0.764 20 30 ECEDMO N#CC[C@@]1(O)CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000592846570 439290125 /nfs/dbraw/zinc/29/01/25/439290125.db2.gz XNYCENPFXFSQCH-SJLPKXTDSA-N 1 1 329.400 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000490871610 439305946 /nfs/dbraw/zinc/30/59/46/439305946.db2.gz BNQCIFBWEKVMRC-JZLYGMAVSA-N 1 1 333.388 0.396 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000490891283 439307303 /nfs/dbraw/zinc/30/73/03/439307303.db2.gz CIGRORYYCFJBOB-DYVFJYSZSA-N 1 1 333.388 0.348 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000490898976 439310067 /nfs/dbraw/zinc/31/00/67/439310067.db2.gz MUULKJAJMQVBBN-KGLIPLIRSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000490898976 439310072 /nfs/dbraw/zinc/31/00/72/439310072.db2.gz MUULKJAJMQVBBN-KGLIPLIRSA-N 1 1 349.456 0.763 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)CC1 ZINC000491298218 439364271 /nfs/dbraw/zinc/36/42/71/439364271.db2.gz UWJMAVXSHOYXOV-QGZVFWFLSA-N 1 1 346.475 0.241 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H](C)CCO)CC2)o1 ZINC000593107837 439343746 /nfs/dbraw/zinc/34/37/46/439343746.db2.gz OVDWQZPKQMXSFC-LBPRGKRZSA-N 1 1 335.408 0.206 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528536722 439346717 /nfs/dbraw/zinc/34/67/17/439346717.db2.gz RAZGXCBJXFQXHS-UHFFFAOYSA-N 1 1 330.454 0.263 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000491454404 439385981 /nfs/dbraw/zinc/38/59/81/439385981.db2.gz YNOAVYIGXCAHQZ-YESZJQIVSA-N 1 1 334.464 0.888 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCCc1cccc(C(=O)NC)c1 ZINC000491618307 439413331 /nfs/dbraw/zinc/41/33/31/439413331.db2.gz CXHJQRRFTOOTHB-UHFFFAOYSA-N 1 1 330.432 0.843 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](Cc2cnn(C)c2)CC(C)C)CC1 ZINC000491805316 439455632 /nfs/dbraw/zinc/45/56/32/439455632.db2.gz NWPDFKVSMFMXOF-UHFFFAOYSA-N 1 1 331.464 0.656 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](Cc2cnn(C)c2)CC(C)C)CC1 ZINC000491805316 439455636 /nfs/dbraw/zinc/45/56/36/439455636.db2.gz NWPDFKVSMFMXOF-UHFFFAOYSA-N 1 1 331.464 0.656 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1n1cccn1 ZINC000491749501 439442791 /nfs/dbraw/zinc/44/27/91/439442791.db2.gz GKHRARTYTWKXDL-BZUAXINKSA-N 1 1 333.436 0.856 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCOC[C@H]1OCCOC ZINC000491764210 439444914 /nfs/dbraw/zinc/44/49/14/439444914.db2.gz BYTDFCBBXUMYDU-HUUCEWRRSA-N 1 1 327.425 0.061 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000491783841 439447748 /nfs/dbraw/zinc/44/77/48/439447748.db2.gz PRWZGWXNMILVLR-UHFFFAOYSA-N 1 1 334.424 0.160 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(C#N)nc3)C2)CC1 ZINC000599457138 439478804 /nfs/dbraw/zinc/47/88/04/439478804.db2.gz CDMUPPSSWLJBGB-INIZCTEOSA-N 1 1 327.432 0.780 20 30 ECEDMO C[NH+]1CCC(N2CC[C@H](NC(=O)Cc3ccc(C#N)nc3)C2)CC1 ZINC000599457138 439478809 /nfs/dbraw/zinc/47/88/09/439478809.db2.gz CDMUPPSSWLJBGB-INIZCTEOSA-N 1 1 327.432 0.780 20 30 ECEDMO C[NH+](C)CC[C@@H](N)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593918290 439493401 /nfs/dbraw/zinc/49/34/01/439493401.db2.gz DCZFFIHYQQUFLP-GOSISDBHSA-N 1 1 343.475 0.918 20 30 ECEDMO CC[N@@H+](C)C[C@@H](O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000593963405 439503070 /nfs/dbraw/zinc/50/30/70/439503070.db2.gz KPNXHGLYGJKCQM-CQSZACIVSA-N 1 1 333.436 0.858 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000599569854 439508652 /nfs/dbraw/zinc/50/86/52/439508652.db2.gz PQCRMWSQMZZZHT-DYVFJYSZSA-N 1 1 337.420 0.981 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000599569854 439508655 /nfs/dbraw/zinc/50/86/55/439508655.db2.gz PQCRMWSQMZZZHT-DYVFJYSZSA-N 1 1 337.420 0.981 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533356230 439524571 /nfs/dbraw/zinc/52/45/71/439524571.db2.gz FQHRKRCOORCNSW-KEYYUXOJSA-N 1 1 335.452 0.919 20 30 ECEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533356230 439524578 /nfs/dbraw/zinc/52/45/78/439524578.db2.gz FQHRKRCOORCNSW-KEYYUXOJSA-N 1 1 335.452 0.919 20 30 ECEDMO N#CCC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000594316389 439541540 /nfs/dbraw/zinc/54/15/40/439541540.db2.gz YYNRUYNHBOJQJH-MRXNPFEDSA-N 1 1 341.415 0.630 20 30 ECEDMO N#CCC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000594316389 439541545 /nfs/dbraw/zinc/54/15/45/439541545.db2.gz YYNRUYNHBOJQJH-MRXNPFEDSA-N 1 1 341.415 0.630 20 30 ECEDMO CC(C)[C@@H](CNC(=O)NC1CCN(CC#N)CC1)[NH+]1CCOCC1 ZINC000609337247 439566175 /nfs/dbraw/zinc/56/61/75/439566175.db2.gz UPEXFJXTJQDVMX-MRXNPFEDSA-N 1 1 337.468 0.630 20 30 ECEDMO N#CC1(CS(=O)(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000547327524 439573487 /nfs/dbraw/zinc/57/34/87/439573487.db2.gz OCGXUKQLXXGCIG-KRWDZBQOSA-N 1 1 349.456 0.847 20 30 ECEDMO N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000594620021 439582036 /nfs/dbraw/zinc/58/20/36/439582036.db2.gz CUQYDKFIZOBDAD-HZPDHXFCSA-N 1 1 347.463 0.224 20 30 ECEDMO CS(=O)(=O)NCC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000584470254 439591708 /nfs/dbraw/zinc/59/17/08/439591708.db2.gz RBKSSXSYTYJHQJ-UHFFFAOYSA-N 1 1 348.432 0.362 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000572834759 439612136 /nfs/dbraw/zinc/61/21/36/439612136.db2.gz ZCPDLPREQLSNIU-PMPSAXMXSA-N 1 1 335.448 0.733 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000610421411 439614052 /nfs/dbraw/zinc/61/40/52/439614052.db2.gz XGCACIUMSNNRPY-DLBZAZTESA-N 1 1 346.406 0.865 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000610421411 439614057 /nfs/dbraw/zinc/61/40/57/439614057.db2.gz XGCACIUMSNNRPY-DLBZAZTESA-N 1 1 346.406 0.865 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCCO)ncc1C#N ZINC000572897519 439614886 /nfs/dbraw/zinc/61/48/86/439614886.db2.gz NLMYCHZEHKWUGS-AWEZNQCLSA-N 1 1 345.403 0.163 20 30 ECEDMO CCN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@H]1CC[N@@H+](CC)C1 ZINC000595129046 439659262 /nfs/dbraw/zinc/65/92/62/439659262.db2.gz AUTZURUIWXFTAN-ZDUSSCGKSA-N 1 1 332.408 0.678 20 30 ECEDMO Cc1cc(S(=O)(=O)N(CCN(C)C)CC[NH+](C)C)ccc1C#N ZINC000573055700 439624900 /nfs/dbraw/zinc/62/49/00/439624900.db2.gz LQBIYHCLCXSCAG-UHFFFAOYSA-N 1 1 338.477 0.981 20 30 ECEDMO C[C@@](O)(C[C@@H](O)C[NH+]1CCN(c2cnccc2C#N)CC1)C1CC1 ZINC000600847298 439710616 /nfs/dbraw/zinc/71/06/16/439710616.db2.gz YZFXTOHYTWJLHS-SJLPKXTDSA-N 1 1 330.432 0.987 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)s1 ZINC000595383139 439718243 /nfs/dbraw/zinc/71/82/43/439718243.db2.gz ADIZSJMAOKZGTO-GFCCVEGCSA-N 1 1 341.458 0.839 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000574106182 439684264 /nfs/dbraw/zinc/68/42/64/439684264.db2.gz OVCGCBCKVUUJGI-GASCZTMLSA-N 1 1 349.456 0.785 20 30 ECEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc(O)cc(C#N)c1 ZINC000614298408 439773733 /nfs/dbraw/zinc/77/37/33/439773733.db2.gz MHOAEONSMXQBPE-MRXNPFEDSA-N 1 1 344.415 0.936 20 30 ECEDMO CC1(C)CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@H+]1CCO ZINC000614920651 439790210 /nfs/dbraw/zinc/79/02/10/439790210.db2.gz MFOWHCPXKBFBFV-MRXNPFEDSA-N 1 1 333.432 0.686 20 30 ECEDMO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1CCO ZINC000614920651 439790211 /nfs/dbraw/zinc/79/02/11/439790211.db2.gz MFOWHCPXKBFBFV-MRXNPFEDSA-N 1 1 333.432 0.686 20 30 ECEDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1CCO ZINC000614920651 439790212 /nfs/dbraw/zinc/79/02/12/439790212.db2.gz MFOWHCPXKBFBFV-MRXNPFEDSA-N 1 1 333.432 0.686 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+](CCO)C2CCOCC2)cc1 ZINC000614923096 439790461 /nfs/dbraw/zinc/79/04/61/439790461.db2.gz IIOGRKNMBZWCOV-QGZVFWFLSA-N 1 1 334.416 0.966 20 30 ECEDMO C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)CC1(O)CCOCC1 ZINC000614922629 439790546 /nfs/dbraw/zinc/79/05/46/439790546.db2.gz YMGRHHRNRXBBDI-MRXNPFEDSA-N 1 1 334.416 0.966 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000658675468 440061076 /nfs/dbraw/zinc/06/10/76/440061076.db2.gz ULNGGHHMVJOWTK-SJORKVTESA-N 1 1 349.475 0.982 20 30 ECEDMO C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000647371276 440044270 /nfs/dbraw/zinc/04/42/70/440044270.db2.gz NTCXQPRFXVJFIT-SOUVJXGZSA-N 1 1 333.436 0.877 20 30 ECEDMO C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000647371276 440044278 /nfs/dbraw/zinc/04/42/78/440044278.db2.gz NTCXQPRFXVJFIT-SOUVJXGZSA-N 1 1 333.436 0.877 20 30 ECEDMO CC#CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000649187625 440410473 /nfs/dbraw/zinc/41/04/73/440410473.db2.gz UHGQNWXZGRSCQR-XHSDSOJGSA-N 1 1 335.448 0.210 20 30 ECEDMO C=C[C@@H](O)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000666836603 440696771 /nfs/dbraw/zinc/69/67/71/440696771.db2.gz WTCIPAVZLNLFNF-MRXNPFEDSA-N 1 1 347.415 0.511 20 30 ECEDMO C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656060795 440704332 /nfs/dbraw/zinc/70/43/32/440704332.db2.gz MJZWRBPYBXJILJ-UONOGXRCSA-N 1 1 349.456 0.540 20 30 ECEDMO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656072637 440710530 /nfs/dbraw/zinc/71/05/30/440710530.db2.gz UFRXIWUBRSNCBH-DLBZAZTESA-N 1 1 349.475 0.859 20 30 ECEDMO C=CC[C@H]1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000661381223 440844332 /nfs/dbraw/zinc/84/43/32/440844332.db2.gz XWJXUHXFAYEWLD-AWEZNQCLSA-N 1 1 331.482 0.672 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000639973979 440846113 /nfs/dbraw/zinc/84/61/13/440846113.db2.gz NWGZTSPTEQVAIX-INIZCTEOSA-N 1 1 345.447 0.815 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000639973979 440846117 /nfs/dbraw/zinc/84/61/17/440846117.db2.gz NWGZTSPTEQVAIX-INIZCTEOSA-N 1 1 345.447 0.815 20 30 ECEDMO C=C[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662110690 440969612 /nfs/dbraw/zinc/96/96/12/440969612.db2.gz BEYFIKSKCJGQRH-IAGOWNOFSA-N 1 1 332.448 0.649 20 30 ECEDMO C=C[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662110690 440969619 /nfs/dbraw/zinc/96/96/19/440969619.db2.gz BEYFIKSKCJGQRH-IAGOWNOFSA-N 1 1 332.448 0.649 20 30 ECEDMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000646029798 440976230 /nfs/dbraw/zinc/97/62/30/440976230.db2.gz LTCYMGNFQDTNAL-MAUKXSAKSA-N 1 1 348.399 0.988 20 30 ECEDMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000646029798 440976237 /nfs/dbraw/zinc/97/62/37/440976237.db2.gz LTCYMGNFQDTNAL-MAUKXSAKSA-N 1 1 348.399 0.988 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000662165501 440977429 /nfs/dbraw/zinc/97/74/29/440977429.db2.gz HGDJVZWWEXAZDT-LLVKDONJSA-N 1 1 327.406 0.026 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000563014308 322292971 /nfs/dbraw/zinc/29/29/71/322292971.db2.gz SNXPVROUKOBJEO-AWEZNQCLSA-N 1 1 328.376 0.484 20 30 ECEDMO CN(C)c1nccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000575981580 322799422 /nfs/dbraw/zinc/79/94/22/322799422.db2.gz SLXXYSVZQFUSPQ-UHFFFAOYSA-N 1 1 345.428 0.978 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CCN2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000577257107 322829927 /nfs/dbraw/zinc/82/99/27/322829927.db2.gz JXOUVJCESGNPRZ-UHFFFAOYSA-N 1 1 345.428 0.877 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078006105 782120425 /nfs/dbraw/zinc/12/04/25/782120425.db2.gz SIQJFGIESXETPN-JHJVBQTASA-N 1 1 346.269 0.398 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC001041756157 782136545 /nfs/dbraw/zinc/13/65/45/782136545.db2.gz YMXAYPWHCMHXID-SFHVURJKSA-N 1 1 328.416 0.418 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001078021710 782155160 /nfs/dbraw/zinc/15/51/60/782155160.db2.gz HWNRHIZUPYIJAQ-HZPDHXFCSA-N 1 1 329.400 0.187 20 30 ECEDMO CN(C)c1nc(N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)cc[nH+]1 ZINC000332482415 538791883 /nfs/dbraw/zinc/79/18/83/538791883.db2.gz VKNLVTYGLVSFOH-UHFFFAOYSA-N 1 1 325.376 0.705 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1C[C@@H]2COC[C@H](C1)O2)N1CC[NH+](C)CC1 ZINC000328682732 546003136 /nfs/dbraw/zinc/00/31/36/546003136.db2.gz DEDBXHNKVNHLAU-OWCLPIDISA-N 1 1 340.468 0.272 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC[C@@H]2COCCO2)C[C@H](C)O1 ZINC000329116516 546014705 /nfs/dbraw/zinc/01/47/05/546014705.db2.gz NKVZIZFOKLVIQU-XUWVNRHRSA-N 1 1 341.452 0.889 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC[C@@H]2COCCO2)C[C@H](C)O1 ZINC000329116516 546014708 /nfs/dbraw/zinc/01/47/08/546014708.db2.gz NKVZIZFOKLVIQU-XUWVNRHRSA-N 1 1 341.452 0.889 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000329363428 546021592 /nfs/dbraw/zinc/02/15/92/546021592.db2.gz JFHUVBAJKAGZRH-KGLIPLIRSA-N 1 1 340.493 0.890 20 30 ECEDMO COCCC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCO ZINC000625362306 547077348 /nfs/dbraw/zinc/07/73/48/547077348.db2.gz XNQAQIBTKBBUMB-UHFFFAOYSA-N 1 1 330.384 0.617 20 30 ECEDMO C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000669331993 547877665 /nfs/dbraw/zinc/87/76/65/547877665.db2.gz UHOWQYFMCUMMOQ-CYBMUJFWSA-N 1 1 344.423 0.171 20 30 ECEDMO C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000669331993 547877670 /nfs/dbraw/zinc/87/76/70/547877670.db2.gz UHOWQYFMCUMMOQ-CYBMUJFWSA-N 1 1 344.423 0.171 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000678127664 549001522 /nfs/dbraw/zinc/00/15/22/549001522.db2.gz ADYFVZCFURPNIF-UHFFFAOYSA-N 1 1 340.431 0.687 20 30 ECEDMO C=CCn1c(COC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000685534219 549705183 /nfs/dbraw/zinc/70/51/83/549705183.db2.gz HJBDIKFZUCVMDK-CQSZACIVSA-N 1 1 348.451 0.353 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001041776050 782178969 /nfs/dbraw/zinc/17/89/69/782178969.db2.gz VONANUBBLXYFPX-SFHVURJKSA-N 1 1 348.447 0.819 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2OCCc3ccsc32)C1 ZINC001078033433 782181972 /nfs/dbraw/zinc/18/19/72/782181972.db2.gz KCXAFWCJKIVKKC-KFWWJZLASA-N 1 1 334.441 0.937 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)CC1 ZINC000748818240 579329460 /nfs/dbraw/zinc/32/94/60/579329460.db2.gz SLDAGHFTHCFTIH-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000751528898 579370757 /nfs/dbraw/zinc/37/07/57/579370757.db2.gz MJETURPWHBZJBT-LBPRGKRZSA-N 1 1 333.461 0.704 20 30 ECEDMO CNC(=O)CNC(=S)NN=C1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000751528898 579370759 /nfs/dbraw/zinc/37/07/59/579370759.db2.gz MJETURPWHBZJBT-LBPRGKRZSA-N 1 1 333.461 0.704 20 30 ECEDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1cccc(S(N)(=O)=O)c1C#N ZINC000754994064 579427510 /nfs/dbraw/zinc/42/75/10/579427510.db2.gz VDIHFBZEHWMEGN-GFCCVEGCSA-N 1 1 337.449 0.253 20 30 ECEDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2C#N)C1 ZINC000755026570 579427892 /nfs/dbraw/zinc/42/78/92/579427892.db2.gz LXVBMFGFBGPPMD-LLVKDONJSA-N 1 1 331.401 0.933 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000756551624 579451284 /nfs/dbraw/zinc/45/12/84/579451284.db2.gz OVOQJGOSIGNSQM-KBPBESRZSA-N 1 1 328.434 0.441 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2N=NC(=S)N2C)C1 ZINC000732077228 578318868 /nfs/dbraw/zinc/31/88/68/578318868.db2.gz GXROCYJENOYPJE-OLZOCXBDSA-N 1 1 333.461 0.907 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C2N=NC(=S)N2C)C1 ZINC000732077228 578318869 /nfs/dbraw/zinc/31/88/69/578318869.db2.gz GXROCYJENOYPJE-OLZOCXBDSA-N 1 1 333.461 0.907 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000732178696 578320692 /nfs/dbraw/zinc/32/06/92/578320692.db2.gz RWIMDIZQQRHFDV-INIZCTEOSA-N 1 1 349.456 0.796 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000732178696 578320693 /nfs/dbraw/zinc/32/06/93/578320693.db2.gz RWIMDIZQQRHFDV-INIZCTEOSA-N 1 1 349.456 0.796 20 30 ECEDMO C[C@H](CNC(=O)NCCNC(=O)C1N=CC=CC1=O)[N@@H+](C)C1CC1 ZINC000732465356 578325930 /nfs/dbraw/zinc/32/59/30/578325930.db2.gz MLBIWHONHTUMJG-PHIZWAGYSA-N 1 1 335.408 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000736209215 578415478 /nfs/dbraw/zinc/41/54/78/578415478.db2.gz ZMVBTOLFNAEDGA-HOTGVXAUSA-N 1 1 327.432 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000736209215 578415479 /nfs/dbraw/zinc/41/54/79/578415479.db2.gz ZMVBTOLFNAEDGA-HOTGVXAUSA-N 1 1 327.432 0.968 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000793902706 578565505 /nfs/dbraw/zinc/56/55/05/578565505.db2.gz RYIGUPIKIFHZJZ-LVQVYYBASA-N 1 1 335.448 0.520 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000799071131 578656920 /nfs/dbraw/zinc/65/69/20/578656920.db2.gz ZCGJWFFTOVPKFP-ZWKOTPCHSA-N 1 1 329.444 0.866 20 30 ECEDMO CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(C#N)cn3)C2)CC1 ZINC000780465311 578694399 /nfs/dbraw/zinc/69/43/99/578694399.db2.gz IGQGARUVDVQFMI-INIZCTEOSA-N 1 1 342.447 0.921 20 30 ECEDMO C[NH+]1CCC(N2CC[C@H](NC(=O)NCc3ccc(C#N)cn3)C2)CC1 ZINC000780465311 578694400 /nfs/dbraw/zinc/69/44/00/578694400.db2.gz IGQGARUVDVQFMI-INIZCTEOSA-N 1 1 342.447 0.921 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@H](C(C)C)C2)c1=O ZINC000780494940 578695107 /nfs/dbraw/zinc/69/51/07/578695107.db2.gz FXAKWKJXOVALSA-HNNXBMFYSA-N 1 1 348.447 0.869 20 30 ECEDMO N#Cc1ccc([C@@H](O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000780855466 578701313 /nfs/dbraw/zinc/70/13/13/578701313.db2.gz KZNPZLYLKLBXRA-DLBZAZTESA-N 1 1 329.400 0.915 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCCc2ccsc2)CC1 ZINC000782960688 578736242 /nfs/dbraw/zinc/73/62/42/578736242.db2.gz XAOBUQLWQRVSLR-UHFFFAOYSA-N 1 1 327.475 0.766 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c1=O ZINC000784009604 578748442 /nfs/dbraw/zinc/74/84/42/578748442.db2.gz RUJWRNDKGYROQY-AWEZNQCLSA-N 1 1 348.447 0.869 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c1=O ZINC000784009604 578748443 /nfs/dbraw/zinc/74/84/43/578748443.db2.gz RUJWRNDKGYROQY-AWEZNQCLSA-N 1 1 348.447 0.869 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)C[C@@H]2CC=CCC2)c1=O ZINC000784012372 578748495 /nfs/dbraw/zinc/74/84/95/578748495.db2.gz CKQXNRGZADPILK-OAHLLOKOSA-N 1 1 346.431 0.789 20 30 ECEDMO NS(=O)(=O)c1ccc(N=NC2CC[N@H+]3CCC[C@H]23)c([N+](=O)[O-])c1 ZINC000765542648 579068890 /nfs/dbraw/zinc/06/88/90/579068890.db2.gz JAJKXNKJOSJTNZ-GFCCVEGCSA-N 1 1 339.377 0.878 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC000766247626 579083628 /nfs/dbraw/zinc/08/36/28/579083628.db2.gz MWYUMTIJVHPROJ-MMEFHMBZSA-N 1 1 349.435 0.637 20 30 ECEDMO C[C@@H](NC(=O)NCCNc1ncccc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000770120603 579160190 /nfs/dbraw/zinc/16/01/90/579160190.db2.gz AUIJHCGXMMDCDR-TZMCWYRMSA-N 1 1 332.408 0.383 20 30 ECEDMO C[C@@H](NC(=O)NCCNc1ncccc1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000770120603 579160191 /nfs/dbraw/zinc/16/01/91/579160191.db2.gz AUIJHCGXMMDCDR-TZMCWYRMSA-N 1 1 332.408 0.383 20 30 ECEDMO C[NH+]1CCN(c2ccc(C=NN[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000771551411 579190519 /nfs/dbraw/zinc/19/05/19/579190519.db2.gz ARRCLQSZWOIGII-OAHLLOKOSA-N 1 1 336.461 0.549 20 30 ECEDMO Fc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cn1 ZINC000777424237 579297941 /nfs/dbraw/zinc/29/79/41/579297941.db2.gz VFJZYXMZCDKHQN-UHFFFAOYSA-N 1 1 325.413 0.741 20 30 ECEDMO C[C@H]1CC(=NNC(=S)NCCCN2CCOCC2)CC[N@H+]1C ZINC000741456061 579774624 /nfs/dbraw/zinc/77/46/24/579774624.db2.gz OKYOAHIMGRBJGM-ZDUSSCGKSA-N 1 1 327.498 0.643 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)CC1 ZINC000744364519 579808850 /nfs/dbraw/zinc/80/88/50/579808850.db2.gz JDYVEKMSLSSSJH-HNNXBMFYSA-N 1 1 341.477 0.216 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000746192535 579832356 /nfs/dbraw/zinc/83/23/56/579832356.db2.gz YAYITWQXPOBXCP-MSUUIHNZSA-N 1 1 330.388 0.070 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000747450143 579852250 /nfs/dbraw/zinc/85/22/50/579852250.db2.gz NQQFCVRGQMBFGP-LBPRGKRZSA-N 1 1 341.458 0.240 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000747450143 579852251 /nfs/dbraw/zinc/85/22/51/579852251.db2.gz NQQFCVRGQMBFGP-LBPRGKRZSA-N 1 1 341.458 0.240 20 30 ECEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCC(=O)OC)cc1 ZINC000841892049 589004486 /nfs/dbraw/zinc/00/44/86/589004486.db2.gz CGWLKVYUWDPNPQ-INIZCTEOSA-N 1 1 330.384 0.952 20 30 ECEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCC(=O)OC)cc1 ZINC000841892049 589004487 /nfs/dbraw/zinc/00/44/87/589004487.db2.gz CGWLKVYUWDPNPQ-INIZCTEOSA-N 1 1 330.384 0.952 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C1CCOCC1 ZINC000895855409 586209150 /nfs/dbraw/zinc/20/91/50/586209150.db2.gz LCJRVTUZNZQJFF-ULQDDVLXSA-N 1 1 335.448 0.655 20 30 ECEDMO C=CCCO[C@H](C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896237548 586230890 /nfs/dbraw/zinc/23/08/90/586230890.db2.gz PCWRCTDZAOTYMB-OAHLLOKOSA-N 1 1 338.452 0.479 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)C1 ZINC000896489009 586243544 /nfs/dbraw/zinc/24/35/44/586243544.db2.gz LDLHVXFJSJAPLX-ULQDDVLXSA-N 1 1 335.448 0.921 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)C1 ZINC000896489009 586243546 /nfs/dbraw/zinc/24/35/46/586243546.db2.gz LDLHVXFJSJAPLX-ULQDDVLXSA-N 1 1 335.448 0.921 20 30 ECEDMO C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900273731 586536620 /nfs/dbraw/zinc/53/66/20/586536620.db2.gz BVJRGTXGXSXUPZ-IBGZPJMESA-N 1 1 343.427 0.912 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000843253418 589056891 /nfs/dbraw/zinc/05/68/91/589056891.db2.gz MGKMNUYFHQQPNT-QGZVFWFLSA-N 1 1 348.491 0.344 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000900528049 586640210 /nfs/dbraw/zinc/64/02/10/586640210.db2.gz DGOTUTNAOFNGGW-MAUKXSAKSA-N 1 1 343.431 0.493 20 30 ECEDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000900923434 586674332 /nfs/dbraw/zinc/67/43/32/586674332.db2.gz SQGNCADTEHSQEI-HNNXBMFYSA-N 1 1 344.411 0.740 20 30 ECEDMO C=C(CC[NH+](C)C)C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000900979687 586680586 /nfs/dbraw/zinc/68/05/86/586680586.db2.gz DEGGCHBKXREMPF-HNNXBMFYSA-N 1 1 345.509 0.462 20 30 ECEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc(C#CCO)c1 ZINC000907456519 586722015 /nfs/dbraw/zinc/72/20/15/586722015.db2.gz NISIKYWLCLYKJT-INIZCTEOSA-N 1 1 329.444 0.786 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2nc3nc(C)cc(C)n3n2)C1 ZINC000902728738 586755507 /nfs/dbraw/zinc/75/55/07/586755507.db2.gz ASMSJQWHPMANTN-CYBMUJFWSA-N 1 1 327.392 0.960 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2nc3nc(C)cc(C)n3n2)C1 ZINC000902728738 586755509 /nfs/dbraw/zinc/75/55/09/586755509.db2.gz ASMSJQWHPMANTN-CYBMUJFWSA-N 1 1 327.392 0.960 20 30 ECEDMO C[N@H+]1CCCC(=NNC(=S)NCCCN2CCOCC2)CC1 ZINC000758097016 586895539 /nfs/dbraw/zinc/89/55/39/586895539.db2.gz ZFECJJIYLABNFE-UHFFFAOYSA-N 1 1 327.498 0.645 20 30 ECEDMO CCN1CCC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1=O ZINC000905551416 586902457 /nfs/dbraw/zinc/90/24/57/586902457.db2.gz MJXFKIMIIQJZAG-HNNXBMFYSA-N 1 1 335.429 0.932 20 30 ECEDMO C#CCCS(=O)(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000808289818 586914025 /nfs/dbraw/zinc/91/40/25/586914025.db2.gz UWSQABXLUWNIAO-UHFFFAOYSA-N 1 1 341.477 0.216 20 30 ECEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905904021 586921248 /nfs/dbraw/zinc/92/12/48/586921248.db2.gz HCNXZXKYPDGDDC-RDTXWAMCSA-N 1 1 349.406 0.722 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC000801935192 587006435 /nfs/dbraw/zinc/00/64/35/587006435.db2.gz AGQICJAYDDPYJP-INIZCTEOSA-N 1 1 337.445 0.459 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)nc1 ZINC000907428925 587043676 /nfs/dbraw/zinc/04/36/76/587043676.db2.gz ILFHOUYFHIZMAC-AWEZNQCLSA-N 1 1 336.417 0.485 20 30 ECEDMO C=CCN1CCN(C[N@H+](CCC(=O)OC)C2CCOCC2)C1=O ZINC000840017334 587069608 /nfs/dbraw/zinc/06/96/08/587069608.db2.gz YMQHIHLXFQKLTM-UHFFFAOYSA-N 1 1 325.409 0.912 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N([C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1=O ZINC000804169231 587080746 /nfs/dbraw/zinc/08/07/46/587080746.db2.gz RRLAGXOLOKCIDP-HUUCEWRRSA-N 1 1 336.436 0.278 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N([C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O ZINC000804169231 587080747 /nfs/dbraw/zinc/08/07/47/587080747.db2.gz RRLAGXOLOKCIDP-HUUCEWRRSA-N 1 1 336.436 0.278 20 30 ECEDMO C[C@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)[N@@H+](C)C1CC1 ZINC000804430881 587085268 /nfs/dbraw/zinc/08/52/68/587085268.db2.gz HAZCHOYSBNHHEH-LLVKDONJSA-N 1 1 332.379 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000804558476 587088043 /nfs/dbraw/zinc/08/80/43/587088043.db2.gz ZECXBXAMEZHQED-DCGLDWPTSA-N 1 1 332.404 0.063 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000804558476 587088045 /nfs/dbraw/zinc/08/80/45/587088045.db2.gz ZECXBXAMEZHQED-DCGLDWPTSA-N 1 1 332.404 0.063 20 30 ECEDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000807986988 587140897 /nfs/dbraw/zinc/14/08/97/587140897.db2.gz BYEWKAAOABPFHW-WPCFGXOUSA-N 1 1 334.420 0.846 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1CCCO1 ZINC000809305095 587173462 /nfs/dbraw/zinc/17/34/62/587173462.db2.gz XHQJMOWPBWZWFO-ULQDDVLXSA-N 1 1 347.459 0.474 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000809405806 587177181 /nfs/dbraw/zinc/17/71/81/587177181.db2.gz SBSOHSVHRUUTOR-GZMMTYOYSA-N 1 1 330.226 0.610 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1cc(C#N)ccc1F)[C@H]1C[N@H+](C)CCO1 ZINC000809441037 587177818 /nfs/dbraw/zinc/17/78/18/587177818.db2.gz OQUREZWOKSJBTL-IAQYHMDHSA-N 1 1 348.378 0.149 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NCc1cc(C#N)ccc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000809441037 587177819 /nfs/dbraw/zinc/17/78/19/587177819.db2.gz OQUREZWOKSJBTL-IAQYHMDHSA-N 1 1 348.378 0.149 20 30 ECEDMO C=CCNC(=O)NC(=O)COC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811447407 587219503 /nfs/dbraw/zinc/21/95/03/587219503.db2.gz KMEWJEKEEQGLRJ-HNNXBMFYSA-N 1 1 329.372 0.754 20 30 ECEDMO N#Cc1ccsc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000815507230 587292266 /nfs/dbraw/zinc/29/22/66/587292266.db2.gz ZRYZVPBHEQTYEU-RYUDHWBXSA-N 1 1 334.401 0.538 20 30 ECEDMO C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)[C@H]2C1 ZINC000815703498 587296522 /nfs/dbraw/zinc/29/65/22/587296522.db2.gz HCJWWEFBZAHZCL-DOMZBBRYSA-N 1 1 328.372 0.690 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000818615344 587441398 /nfs/dbraw/zinc/44/13/98/587441398.db2.gz JQTMVVBBCUUGNI-AWEZNQCLSA-N 1 1 339.436 0.694 20 30 ECEDMO N#Cc1ccc([C@@H](O)CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000819003259 587464029 /nfs/dbraw/zinc/46/40/29/587464029.db2.gz CNTGEUIPBONTPH-SJORKVTESA-N 1 1 330.432 0.769 20 30 ECEDMO N#Cc1ccc([C@@H](O)CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000819003259 587464031 /nfs/dbraw/zinc/46/40/31/587464031.db2.gz CNTGEUIPBONTPH-SJORKVTESA-N 1 1 330.432 0.769 20 30 ECEDMO CON=C(C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1csc(N)n1 ZINC000820022699 587503857 /nfs/dbraw/zinc/50/38/57/587503857.db2.gz KAGLVXXYMXVKPL-JTQLQIEISA-N 1 1 325.438 0.876 20 30 ECEDMO CON=C(C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1csc(N)n1 ZINC000820233788 587518229 /nfs/dbraw/zinc/51/82/29/587518229.db2.gz VGKGSFKRSOVTSI-KOLCDFICSA-N 1 1 325.438 0.874 20 30 ECEDMO CON=C(C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1csc(N)n1 ZINC000820233787 587518286 /nfs/dbraw/zinc/51/82/86/587518286.db2.gz VGKGSFKRSOVTSI-GXSJLCMTSA-N 1 1 325.438 0.874 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000823849866 587745833 /nfs/dbraw/zinc/74/58/33/587745833.db2.gz BHNBDIKZWLYMTP-CQSZACIVSA-N 1 1 341.371 0.886 20 30 ECEDMO C#C[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000825709936 587957309 /nfs/dbraw/zinc/95/73/09/587957309.db2.gz XBGBRNMRNGCGFO-MRXNPFEDSA-N 1 1 328.416 0.824 20 30 ECEDMO C[NH+]1CCN(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 ZINC000827419847 588119467 /nfs/dbraw/zinc/11/94/67/588119467.db2.gz FICNLDCETFMBCN-UHFFFAOYSA-N 1 1 345.422 0.593 20 30 ECEDMO C#CC[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000829793910 588342417 /nfs/dbraw/zinc/34/24/17/588342417.db2.gz NLEBVOUTYVBGFK-LBPRGKRZSA-N 1 1 348.403 0.096 20 30 ECEDMO C#CC[C@H]1CCC[N@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000829793910 588342418 /nfs/dbraw/zinc/34/24/18/588342418.db2.gz NLEBVOUTYVBGFK-LBPRGKRZSA-N 1 1 348.403 0.096 20 30 ECEDMO CC(C)(C)OC(=O)N1CCN(CC[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000829998677 588353183 /nfs/dbraw/zinc/35/31/83/588353183.db2.gz PQFQGSHDBPFXRZ-QGZVFWFLSA-N 1 1 338.452 0.890 20 30 ECEDMO C#CCN(CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C(=O)OC(C)(C)C ZINC000830627406 588379436 /nfs/dbraw/zinc/37/94/36/588379436.db2.gz HHHIJKKPBPIASY-KBPBESRZSA-N 1 1 339.436 0.692 20 30 ECEDMO C#CCN(CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C(=O)OC(C)(C)C ZINC000830627406 588379438 /nfs/dbraw/zinc/37/94/38/588379438.db2.gz HHHIJKKPBPIASY-KBPBESRZSA-N 1 1 339.436 0.692 20 30 ECEDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371593 589109283 /nfs/dbraw/zinc/10/92/83/589109283.db2.gz ZUDOIDAGXQTLKZ-CVEARBPZSA-N 1 1 345.359 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000847641658 589260466 /nfs/dbraw/zinc/26/04/66/589260466.db2.gz ZJXQTMZFDBALHL-OAHLLOKOSA-N 1 1 342.461 0.689 20 30 ECEDMO C#CCCN1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849518836 589338962 /nfs/dbraw/zinc/33/89/62/589338962.db2.gz PEFWZAPTIXUFCM-MSOLQXFVSA-N 1 1 343.475 0.623 20 30 ECEDMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCOC[C@H]2C#N)[C@H](c2cnn(C)c2)C1 ZINC000849554059 589340561 /nfs/dbraw/zinc/34/05/61/589340561.db2.gz LIGHNMBCXGIZAG-IKGGRYGDSA-N 1 1 345.447 0.985 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000850683013 589378906 /nfs/dbraw/zinc/37/89/06/589378906.db2.gz PQTBQLQIGAPDPT-NVXWUHKLSA-N 1 1 347.459 0.306 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000850705577 589380778 /nfs/dbraw/zinc/38/07/78/589380778.db2.gz XGCOUJYNYOEJHQ-QGZVFWFLSA-N 1 1 341.411 0.664 20 30 ECEDMO CC(C)(C)OC(=O)N1CCO[C@@H](C[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000852205804 589450524 /nfs/dbraw/zinc/45/05/24/589450524.db2.gz UXIYQXCYLUQVSR-BBRMVZONSA-N 1 1 325.409 0.973 20 30 ECEDMO CC(C)(C)OC(=O)N1CCO[C@@H](C[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000852205804 589450527 /nfs/dbraw/zinc/45/05/27/589450527.db2.gz UXIYQXCYLUQVSR-BBRMVZONSA-N 1 1 325.409 0.973 20 30 ECEDMO C#C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C1CCOCC1 ZINC000852638859 589504160 /nfs/dbraw/zinc/50/41/60/589504160.db2.gz HCKYLEYZWUJSJX-ZBFHGGJFSA-N 1 1 337.464 0.901 20 30 ECEDMO C#C[C@H](CO)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000854771121 589605176 /nfs/dbraw/zinc/60/51/76/589605176.db2.gz VIUCMFQUDKOPCI-CQSZACIVSA-N 1 1 339.399 0.288 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000855404423 589628959 /nfs/dbraw/zinc/62/89/59/589628959.db2.gz VLQFIIPPXLCFRU-MOPGFXCFSA-N 1 1 341.455 0.967 20 30 ECEDMO Cn1nccc1[C@@H](O)C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000856795472 589675858 /nfs/dbraw/zinc/67/58/58/589675858.db2.gz GSACFUFDKMENCI-INIZCTEOSA-N 1 1 331.420 0.728 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000858191963 589730410 /nfs/dbraw/zinc/73/04/10/589730410.db2.gz CTDMOSIIURHMBO-GJZGRUSLSA-N 1 1 338.452 0.301 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000858278340 589736699 /nfs/dbraw/zinc/73/66/99/589736699.db2.gz VTUBCOLXCXHHBA-SJORKVTESA-N 1 1 338.496 0.988 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2cncc(N3CCCC3=O)c2)CC1 ZINC000859003878 589791870 /nfs/dbraw/zinc/79/18/70/589791870.db2.gz WDNGNRYTZAPSPU-UHFFFAOYSA-N 1 1 326.400 0.990 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000859020907 589793462 /nfs/dbraw/zinc/79/34/62/589793462.db2.gz VLBMAUFNIFWMNE-LSDHHAIUSA-N 1 1 325.453 0.901 20 30 ECEDMO C=C(Cl)C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)OCC ZINC000870029649 589990445 /nfs/dbraw/zinc/99/04/45/589990445.db2.gz VCRARUJMBYRRJX-OLZOCXBDSA-N 1 1 329.828 0.567 20 30 ECEDMO Cc1ccc(S(=O)(=O)N(CCN(C)C)CC[NH+](C)C)c(C#N)c1 ZINC000872446261 590117514 /nfs/dbraw/zinc/11/75/14/590117514.db2.gz BFOYHILMCRMDDY-UHFFFAOYSA-N 1 1 338.477 0.981 20 30 ECEDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(C#N)c1 ZINC000872493652 590121119 /nfs/dbraw/zinc/12/11/19/590121119.db2.gz WFURNVORIGJGCA-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c(C#N)c1 ZINC000872493652 590121120 /nfs/dbraw/zinc/12/11/20/590121120.db2.gz WFURNVORIGJGCA-OAHLLOKOSA-N 1 1 337.445 0.992 20 30 ECEDMO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000873710943 590197305 /nfs/dbraw/zinc/19/73/05/590197305.db2.gz WSLNJGCQHSEAGA-ZDUSSCGKSA-N 1 1 347.394 0.306 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000875066554 590267200 /nfs/dbraw/zinc/26/72/00/590267200.db2.gz UWPLNRNPFJKBOL-CVEARBPZSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000875120587 590272692 /nfs/dbraw/zinc/27/26/92/590272692.db2.gz WOAQZZTXZKZEPM-QGZVFWFLSA-N 1 1 345.443 0.909 20 30 ECEDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC[C@H]21 ZINC000875166491 590277344 /nfs/dbraw/zinc/27/73/44/590277344.db2.gz VOBNSCWXDNNBJI-GDBMZVCRSA-N 1 1 344.390 0.866 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000875445009 590302670 /nfs/dbraw/zinc/30/26/70/590302670.db2.gz QQASKCOGFVXUJS-OWCLPIDISA-N 1 1 335.448 0.664 20 30 ECEDMO COC(=O)c1cccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1C#N ZINC000879534609 590321019 /nfs/dbraw/zinc/32/10/19/590321019.db2.gz UIHUAIBWCPQSPQ-OKILXGFUSA-N 1 1 327.340 0.391 20 30 ECEDMO COC(=O)c1cccc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1C#N ZINC000879534609 590321022 /nfs/dbraw/zinc/32/10/22/590321022.db2.gz UIHUAIBWCPQSPQ-OKILXGFUSA-N 1 1 327.340 0.391 20 30 ECEDMO C#C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000875723020 590325329 /nfs/dbraw/zinc/32/53/29/590325329.db2.gz URARDIRKEGKGEP-HOTGVXAUSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000875916221 590345610 /nfs/dbraw/zinc/34/56/10/590345610.db2.gz DCMOCBKOKIUACA-GJZGRUSLSA-N 1 1 325.453 0.901 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879975436 590357494 /nfs/dbraw/zinc/35/74/94/590357494.db2.gz PVDBUVPIIARTIR-JJXSEGSLSA-N 1 1 335.448 0.256 20 30 ECEDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000876281773 590371100 /nfs/dbraw/zinc/37/11/00/590371100.db2.gz LYHPSPZHCOZUPA-DYVFJYSZSA-N 1 1 328.416 0.733 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000876281773 590371104 /nfs/dbraw/zinc/37/11/04/590371104.db2.gz LYHPSPZHCOZUPA-DYVFJYSZSA-N 1 1 328.416 0.733 20 30 ECEDMO C[C@](C#N)(NC(=O)Cn1cc(CCC[NH+]2CCOCC2)nn1)C1CC1 ZINC000881020388 590431584 /nfs/dbraw/zinc/43/15/84/590431584.db2.gz XLGTVTLRLJETHE-QGZVFWFLSA-N 1 1 346.435 0.351 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000877892798 590485172 /nfs/dbraw/zinc/48/51/72/590485172.db2.gz FBIINDSPQZGKGJ-ZWKOTPCHSA-N 1 1 347.459 0.391 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785096 590542184 /nfs/dbraw/zinc/54/21/84/590542184.db2.gz LPCACHZTPBWSKU-ZFWWWQNUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878785096 590542186 /nfs/dbraw/zinc/54/21/86/590542186.db2.gz LPCACHZTPBWSKU-ZFWWWQNUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCC1(O)CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000883460019 590619691 /nfs/dbraw/zinc/61/96/91/590619691.db2.gz NHRSKGFHGLUPMA-INIZCTEOSA-N 1 1 336.480 0.430 20 30 ECEDMO COc1cccc([C@@H]2C[NH2+]CCN2S(=O)(=O)N(C)CCC#N)c1 ZINC000883477620 590620789 /nfs/dbraw/zinc/62/07/89/590620789.db2.gz IYYMMKMTRJIBHQ-HNNXBMFYSA-N 1 1 338.433 0.732 20 30 ECEDMO C#CC1(F)CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000883739926 590658515 /nfs/dbraw/zinc/65/85/15/590658515.db2.gz OEAIHBYLDXLBFW-UHFFFAOYSA-N 1 1 325.384 0.235 20 30 ECEDMO C=C[C@H](C)ONC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883764129 590663100 /nfs/dbraw/zinc/66/31/00/590663100.db2.gz QNCBMFNPWRREJW-LSDHHAIUSA-N 1 1 326.441 0.588 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)N2CCOCC2)C1 ZINC000884046767 590716365 /nfs/dbraw/zinc/71/63/65/590716365.db2.gz RNHAISADTGFNEK-DLBZAZTESA-N 1 1 336.480 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)N2CCOCC2)C1 ZINC000884046767 590716366 /nfs/dbraw/zinc/71/63/66/590716366.db2.gz RNHAISADTGFNEK-DLBZAZTESA-N 1 1 336.480 0.740 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCc2cn3c(n2)SCC3)C1 ZINC000884270709 590792308 /nfs/dbraw/zinc/79/23/08/590792308.db2.gz QDSUTXIZTDUIRX-ZDUSSCGKSA-N 1 1 333.461 0.928 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCc2cn3c(n2)SCC3)C1 ZINC000884270709 590792309 /nfs/dbraw/zinc/79/23/09/590792309.db2.gz QDSUTXIZTDUIRX-ZDUSSCGKSA-N 1 1 333.461 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(CC(N)=O)cc2)C1 ZINC000884356485 590812313 /nfs/dbraw/zinc/81/23/13/590812313.db2.gz GJKHWWXHUVBEOH-INIZCTEOSA-N 1 1 328.416 0.611 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(CC(N)=O)cc2)C1 ZINC000884356485 590812317 /nfs/dbraw/zinc/81/23/17/590812317.db2.gz GJKHWWXHUVBEOH-INIZCTEOSA-N 1 1 328.416 0.611 20 30 ECEDMO C#CC[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000886353304 590834079 /nfs/dbraw/zinc/83/40/79/590834079.db2.gz GIRYRSXYKYVVFX-OAHLLOKOSA-N 1 1 329.400 0.909 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2nnc(-c3ccncc3)[n-]2)C1 ZINC000889247681 591046137 /nfs/dbraw/zinc/04/61/37/591046137.db2.gz SJJHVCBGWQVZRM-AWEZNQCLSA-N 1 1 339.403 0.764 20 30 ECEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000890134312 591134797 /nfs/dbraw/zinc/13/47/97/591134797.db2.gz KBZPLEQTTNOHHY-CYBMUJFWSA-N 1 1 329.404 0.886 20 30 ECEDMO N#CCCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000890234258 591143761 /nfs/dbraw/zinc/14/37/61/591143761.db2.gz PCGWVADPDWGAFH-INIZCTEOSA-N 1 1 341.415 0.939 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](CC(N)=O)c2ccccc2)C1 ZINC000890364248 591151836 /nfs/dbraw/zinc/15/18/36/591151836.db2.gz YGIYTYCKIMQZSU-JKSUJKDBSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](CC(N)=O)c2ccccc2)C1 ZINC000890364248 591151837 /nfs/dbraw/zinc/15/18/37/591151837.db2.gz YGIYTYCKIMQZSU-JKSUJKDBSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)C1 ZINC000890372557 591155101 /nfs/dbraw/zinc/15/51/01/591155101.db2.gz JWVNYHVWTQSBAX-IRXDYDNUSA-N 1 1 340.427 0.967 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)C1 ZINC000890372557 591155102 /nfs/dbraw/zinc/15/51/02/591155102.db2.gz JWVNYHVWTQSBAX-IRXDYDNUSA-N 1 1 340.427 0.967 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000890376054 591155696 /nfs/dbraw/zinc/15/56/96/591155696.db2.gz ADLYKCVZNQPLQK-IRXDYDNUSA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000890376054 591155697 /nfs/dbraw/zinc/15/56/97/591155697.db2.gz ADLYKCVZNQPLQK-IRXDYDNUSA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000890376055 591155952 /nfs/dbraw/zinc/15/59/52/591155952.db2.gz ADLYKCVZNQPLQK-SJORKVTESA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000890376055 591155956 /nfs/dbraw/zinc/15/59/56/591155956.db2.gz ADLYKCVZNQPLQK-SJORKVTESA-N 1 1 334.464 0.590 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC(=O)NC[C@@H]1c1ccccc1 ZINC000922632167 611356747 /nfs/dbraw/zinc/35/67/47/611356747.db2.gz ZMNKFSALJQVWTK-MRXNPFEDSA-N 1 1 328.416 0.824 20 30 ECEDMO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1cc(C#N)ccc1Br ZINC000922822341 611361976 /nfs/dbraw/zinc/36/19/76/611361976.db2.gz FQLOLTJSRXIOEV-LLVKDONJSA-N 1 1 347.234 0.816 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)[C@H](C)C1 ZINC000947975297 611365087 /nfs/dbraw/zinc/36/50/87/611365087.db2.gz LZCYEAMTWHVJTI-RHSMWYFYSA-N 1 1 327.428 0.926 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)CC[C@@H]2C1 ZINC000946626131 611371491 /nfs/dbraw/zinc/37/14/91/611371491.db2.gz OQQFWHGWKHLDQW-IYBDPMFKSA-N 1 1 333.432 0.039 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC3(CC2)C[C@H](O)CCO3)C1 ZINC000924037866 611383309 /nfs/dbraw/zinc/38/33/09/611383309.db2.gz WBVRQDIWIYWUCD-JKSUJKDBSA-N 1 1 335.448 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC3(CC2)C[C@H](O)CCO3)C1 ZINC000924037866 611383312 /nfs/dbraw/zinc/38/33/12/611383312.db2.gz WBVRQDIWIYWUCD-JKSUJKDBSA-N 1 1 335.448 0.800 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)CC[C@@H]2C1 ZINC000946653861 611391649 /nfs/dbraw/zinc/39/16/49/611391649.db2.gz JVQABZQCXBYYMU-GASCZTMLSA-N 1 1 333.436 0.328 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC[C@@H]2C1 ZINC000946667932 611403757 /nfs/dbraw/zinc/40/37/57/611403757.db2.gz KQRFTLFUAIOKGG-OWCLPIDISA-N 1 1 332.448 0.581 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC[C@@H]2C1 ZINC000946694257 611418961 /nfs/dbraw/zinc/41/89/61/611418961.db2.gz PCMPNEXLUYIURF-FLXSYLCISA-N 1 1 332.444 0.842 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000946690683 611415620 /nfs/dbraw/zinc/41/56/20/611415620.db2.gz RUTMSGFLKVTESN-QGZVFWFLSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000946690683 611415623 /nfs/dbraw/zinc/41/56/23/611415623.db2.gz RUTMSGFLKVTESN-QGZVFWFLSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731287 611441143 /nfs/dbraw/zinc/44/11/43/611441143.db2.gz KKIFFRMHQLGXAV-FGTMMUONSA-N 1 1 333.476 0.899 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000930551620 611442213 /nfs/dbraw/zinc/44/22/13/611442213.db2.gz HQORENKUBMIUGB-WCQYABFASA-N 1 1 339.417 0.923 20 30 ECEDMO CC(C)(CC#N)CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000930820389 611468696 /nfs/dbraw/zinc/46/86/96/611468696.db2.gz OATIMRXJEJKJGH-KBPBESRZSA-N 1 1 336.436 0.100 20 30 ECEDMO C[C@H]1[C@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC[N@H+]1C ZINC000925352243 611474335 /nfs/dbraw/zinc/47/43/35/611474335.db2.gz CKWDAGLZUHIBDE-XJKSGUPXSA-N 1 1 328.420 0.877 20 30 ECEDMO Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1C#N ZINC000925335429 611470760 /nfs/dbraw/zinc/47/07/60/611470760.db2.gz VACNBZKCFIDMJW-UKRRQHHQSA-N 1 1 345.451 0.524 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(C)cc3=O)CC[C@@H]2C1 ZINC000946800926 611490447 /nfs/dbraw/zinc/49/04/47/611490447.db2.gz QXQBKRPORVXSCC-CALCHBBNSA-N 1 1 327.428 0.960 20 30 ECEDMO N#Cc1ccc(-c2cc(N3CC[NH+](C[C@@H](O)CO)CC3)n[nH]2)cc1 ZINC000930994530 611494540 /nfs/dbraw/zinc/49/45/40/611494540.db2.gz XTXIEQJGLLNROF-OAHLLOKOSA-N 1 1 327.388 0.424 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000931092680 611505876 /nfs/dbraw/zinc/50/58/76/611505876.db2.gz GJGBBFCBEAPMFC-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000931092680 611505878 /nfs/dbraw/zinc/50/58/78/611505878.db2.gz GJGBBFCBEAPMFC-HZPDHXFCSA-N 1 1 337.464 0.720 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000948316203 611517832 /nfs/dbraw/zinc/51/78/32/611517832.db2.gz LGGSRJJCUVBFOG-LSDHHAIUSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1CO ZINC000931403222 611536442 /nfs/dbraw/zinc/53/64/42/611536442.db2.gz IWVVJJFQQWGFEH-SJORKVTESA-N 1 1 328.416 0.662 20 30 ECEDMO C[N@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1CO ZINC000931403222 611536443 /nfs/dbraw/zinc/53/64/43/611536443.db2.gz IWVVJJFQQWGFEH-SJORKVTESA-N 1 1 328.416 0.662 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC000947450195 611542520 /nfs/dbraw/zinc/54/25/20/611542520.db2.gz PUMHHOIMWDBNPT-DZGCQCFKSA-N 1 1 328.416 0.715 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000947458725 611546035 /nfs/dbraw/zinc/54/60/35/611546035.db2.gz IDAYGJTVBHMUEY-WCQYABFASA-N 1 1 339.417 0.533 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3OCCNC(=O)[C@@H]32)cc1 ZINC000931561722 611550297 /nfs/dbraw/zinc/55/02/97/611550297.db2.gz FVCVUOPLZQGDOE-SJLPKXTDSA-N 1 1 341.411 0.976 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3OCCNC(=O)[C@@H]32)cc1 ZINC000931561722 611550298 /nfs/dbraw/zinc/55/02/98/611550298.db2.gz FVCVUOPLZQGDOE-SJLPKXTDSA-N 1 1 341.411 0.976 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@@H]1C ZINC000947524295 611579622 /nfs/dbraw/zinc/57/96/22/611579622.db2.gz RMSMSJJCERPZSY-LSDHHAIUSA-N 1 1 346.431 0.496 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC000948416868 611582955 /nfs/dbraw/zinc/58/29/55/611582955.db2.gz RFFNJDAHTAEFSM-HUUCEWRRSA-N 1 1 333.432 0.860 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C[C@H]1C ZINC000947546364 611590567 /nfs/dbraw/zinc/59/05/67/611590567.db2.gz GNQXOJVWQQNVTC-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 ZINC000949247578 608596553 /nfs/dbraw/zinc/59/65/53/608596553.db2.gz ADOVLGGIUSLZNN-CQSZACIVSA-N 1 1 342.461 0.443 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cc(C)n[nH]3)CC2)C1 ZINC000949338985 608644217 /nfs/dbraw/zinc/64/42/17/608644217.db2.gz XWHJRCINXMLZTP-UHFFFAOYSA-N 1 1 330.432 0.977 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)Cc3cc(C)n[nH]3)CC2)C1 ZINC000949338985 608644218 /nfs/dbraw/zinc/64/42/18/608644218.db2.gz XWHJRCINXMLZTP-UHFFFAOYSA-N 1 1 330.432 0.977 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC000949382680 608661808 /nfs/dbraw/zinc/66/18/08/608661808.db2.gz AMVBXQCOVBPRJO-UHFFFAOYSA-N 1 1 344.459 0.988 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000936909848 608663603 /nfs/dbraw/zinc/66/36/03/608663603.db2.gz HFPQVRFFXBGNET-SJORKVTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2ccc(C(N)=O)nc2)CC1 ZINC000948547125 611647574 /nfs/dbraw/zinc/64/75/74/611647574.db2.gz QUCYRSKVJGISIJ-OAHLLOKOSA-N 1 1 328.416 0.669 20 30 ECEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(OC)CS(=O)(=O)C1)C(C)C ZINC000932706929 611657869 /nfs/dbraw/zinc/65/78/69/611657869.db2.gz FYUPESPTDPZNSQ-AWEZNQCLSA-N 1 1 344.477 0.615 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@@H](C)C2)C1 ZINC000947701337 611659206 /nfs/dbraw/zinc/65/92/06/611659206.db2.gz AJBUMQOFUSUCGO-UONOGXRCSA-N 1 1 348.447 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C ZINC000947796406 608779133 /nfs/dbraw/zinc/77/91/33/608779133.db2.gz LTCBWZYSYMWMPK-CABCVRRESA-N 1 1 346.435 0.171 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C ZINC000947796510 608787077 /nfs/dbraw/zinc/78/70/77/608787077.db2.gz NTENSAXWMZRSLR-CABCVRRESA-N 1 1 348.451 0.724 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C[C@@H]1C ZINC000947510174 608843508 /nfs/dbraw/zinc/84/35/08/608843508.db2.gz JDJNIGHSDWLKTN-LSDHHAIUSA-N 1 1 332.448 0.977 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C[C@@H]1C ZINC000947510174 608843510 /nfs/dbraw/zinc/84/35/10/608843510.db2.gz JDJNIGHSDWLKTN-LSDHHAIUSA-N 1 1 332.448 0.977 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000948598712 611666046 /nfs/dbraw/zinc/66/60/46/611666046.db2.gz MDEBLSLUZVYNLZ-CABCVRRESA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000948598712 611666047 /nfs/dbraw/zinc/66/60/47/611666047.db2.gz MDEBLSLUZVYNLZ-CABCVRRESA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C[C@H]1C ZINC000947546307 608882781 /nfs/dbraw/zinc/88/27/81/608882781.db2.gz FSWJICQECJYOSF-CABCVRRESA-N 1 1 341.477 0.404 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C ZINC000947598731 608917347 /nfs/dbraw/zinc/91/73/47/608917347.db2.gz PAVREKGQJKDUKG-DGCLKSJQSA-N 1 1 344.423 0.853 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C ZINC000947598729 608917580 /nfs/dbraw/zinc/91/75/80/608917580.db2.gz PAVREKGQJKDUKG-AAEUAGOBSA-N 1 1 344.423 0.853 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(C)n2C)C1 ZINC000937677067 609005826 /nfs/dbraw/zinc/00/58/26/609005826.db2.gz GWEPJMARSAWZEC-RDJZCZTQSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(C)n2C)C1 ZINC000937677067 609005830 /nfs/dbraw/zinc/00/58/30/609005830.db2.gz GWEPJMARSAWZEC-RDJZCZTQSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@H](C)C2)cc1 ZINC000947778917 609024867 /nfs/dbraw/zinc/02/48/67/609024867.db2.gz LFQBRDLOZLXVQZ-HIFRSBDPSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@H](C)C2)cc1 ZINC000947778917 609024871 /nfs/dbraw/zinc/02/48/71/609024871.db2.gz LFQBRDLOZLXVQZ-HIFRSBDPSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000937710860 609028625 /nfs/dbraw/zinc/02/86/25/609028625.db2.gz UWMQGFOKVRLVEE-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC000937710860 609028627 /nfs/dbraw/zinc/02/86/27/609028627.db2.gz UWMQGFOKVRLVEE-JYJNAYRXSA-N 1 1 333.432 0.370 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C)cc1C#N ZINC000947667334 609041262 /nfs/dbraw/zinc/04/12/62/609041262.db2.gz QHKGEXUZXFKAIB-FZMZJTMJSA-N 1 1 330.388 0.521 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N(CCS(C)(=O)=O)C2CC2)CC1 ZINC000178811970 609069424 /nfs/dbraw/zinc/06/94/24/609069424.db2.gz PTPDBRKLYYUQHP-UHFFFAOYSA-N 1 1 329.466 0.855 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)n3)[C@H](C)C2)nn1 ZINC000947791469 611692326 /nfs/dbraw/zinc/69/23/26/611692326.db2.gz CEMBDRLNRBVMPD-ZIAGYGMSSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccn(C)n3)[C@H](C)C2)nn1 ZINC000947791469 611692329 /nfs/dbraw/zinc/69/23/29/611692329.db2.gz CEMBDRLNRBVMPD-ZIAGYGMSSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)[C@H](C)C2)nn1 ZINC000947792328 611692471 /nfs/dbraw/zinc/69/24/71/611692471.db2.gz KXHNURHIUZHLHM-ZIAGYGMSSA-N 1 1 344.423 0.339 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000938170622 609482029 /nfs/dbraw/zinc/48/20/29/609482029.db2.gz KXVNHXQWKPOHMO-GJZGRUSLSA-N 1 1 333.432 0.106 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000938170622 609482031 /nfs/dbraw/zinc/48/20/31/609482031.db2.gz KXVNHXQWKPOHMO-GJZGRUSLSA-N 1 1 333.432 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnnc2C)C1 ZINC000938170980 609482743 /nfs/dbraw/zinc/48/27/43/609482743.db2.gz RWDSXTIZFJPAHD-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccnnc2C)C1 ZINC000938170980 609482746 /nfs/dbraw/zinc/48/27/46/609482746.db2.gz RWDSXTIZFJPAHD-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000938170513 609482925 /nfs/dbraw/zinc/48/29/25/609482925.db2.gz IYKNNKHPOHUWQX-FNQZAJIHSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000938170513 609482928 /nfs/dbraw/zinc/48/29/28/609482928.db2.gz IYKNNKHPOHUWQX-FNQZAJIHSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000938171623 609484594 /nfs/dbraw/zinc/48/45/94/609484594.db2.gz HLRAPJMDLBWGNN-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000938171623 609484597 /nfs/dbraw/zinc/48/45/97/609484597.db2.gz HLRAPJMDLBWGNN-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C)nc2)C1 ZINC000938172362 609484898 /nfs/dbraw/zinc/48/48/98/609484898.db2.gz WAWPOAFJLCKKIU-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C)nc2)C1 ZINC000938172362 609484901 /nfs/dbraw/zinc/48/49/01/609484901.db2.gz WAWPOAFJLCKKIU-IRXDYDNUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2ccon2)C1 ZINC000938173783 609486381 /nfs/dbraw/zinc/48/63/81/609486381.db2.gz WZYCPABIRBXJPR-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2ccon2)C1 ZINC000938173783 609486382 /nfs/dbraw/zinc/48/63/82/609486382.db2.gz WZYCPABIRBXJPR-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000908352123 609651566 /nfs/dbraw/zinc/65/15/66/609651566.db2.gz USUHQGFFRQNBFG-YOEHRIQHSA-N 1 1 329.404 0.057 20 30 ECEDMO C#CCCCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C ZINC000908531681 609655572 /nfs/dbraw/zinc/65/55/72/609655572.db2.gz RZSALUYYLJJODG-HNNXBMFYSA-N 1 1 344.463 0.514 20 30 ECEDMO C[C@@H](NS(=O)(=O)Cc1csc(C#N)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000919975341 609666846 /nfs/dbraw/zinc/66/68/46/609666846.db2.gz VXZYCILHHBHJJG-RISCZKNCSA-N 1 1 342.490 0.673 20 30 ECEDMO C[C@@H](NS(=O)(=O)Cc1csc(C#N)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919975341 609666847 /nfs/dbraw/zinc/66/68/47/609666847.db2.gz VXZYCILHHBHJJG-RISCZKNCSA-N 1 1 342.490 0.673 20 30 ECEDMO C[C@H](NS(=O)(=O)Cc1csc(C#N)c1)[C@H]1C[N@H+](C)CCN1C ZINC000919975342 609666899 /nfs/dbraw/zinc/66/68/99/609666899.db2.gz VXZYCILHHBHJJG-SMDDNHRTSA-N 1 1 342.490 0.673 20 30 ECEDMO C[C@H](NS(=O)(=O)Cc1csc(C#N)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000919975342 609666901 /nfs/dbraw/zinc/66/69/01/609666901.db2.gz VXZYCILHHBHJJG-SMDDNHRTSA-N 1 1 342.490 0.673 20 30 ECEDMO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1C#N ZINC000919990982 609667348 /nfs/dbraw/zinc/66/73/48/609667348.db2.gz STYROKXGRGHHDJ-CZUORRHYSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1C#N ZINC000919990982 609667350 /nfs/dbraw/zinc/66/73/50/609667350.db2.gz STYROKXGRGHHDJ-CZUORRHYSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000919999578 609669702 /nfs/dbraw/zinc/66/97/02/609669702.db2.gz KJNKPKYZQGREIV-HIFRSBDPSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000919999578 609669704 /nfs/dbraw/zinc/66/97/04/609669704.db2.gz KJNKPKYZQGREIV-HIFRSBDPSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000920012010 609669899 /nfs/dbraw/zinc/66/98/99/609669899.db2.gz ZFAJBCHINFTJNE-ZFWWWQNUSA-N 1 1 336.461 0.779 20 30 ECEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000920012010 609669901 /nfs/dbraw/zinc/66/99/01/609669901.db2.gz ZFAJBCHINFTJNE-ZFWWWQNUSA-N 1 1 336.461 0.779 20 30 ECEDMO C#CCCCc1nnc(N2CC[NH+]([C@@H]3CCOC3)CC2)n1CCOC ZINC000909204335 609686809 /nfs/dbraw/zinc/68/68/09/609686809.db2.gz JHHCROYSOIBZKG-MRXNPFEDSA-N 1 1 347.463 0.791 20 30 ECEDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000913539275 609687320 /nfs/dbraw/zinc/68/73/20/609687320.db2.gz MBLSABRFUPOEAP-TXEJJXNPSA-N 1 1 348.428 0.030 20 30 ECEDMO C#CC[C@@H](CO)NC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000921339838 609705777 /nfs/dbraw/zinc/70/57/77/609705777.db2.gz NEJHXLHCXUBEDY-HNNXBMFYSA-N 1 1 331.420 0.746 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)C[C@@H](OC)C2CCOCC2)CC1 ZINC000921437178 609716524 /nfs/dbraw/zinc/71/65/24/609716524.db2.gz OPXKYHZDFRIIPM-MRXNPFEDSA-N 1 1 344.477 0.445 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000921439878 609716988 /nfs/dbraw/zinc/71/69/88/609716988.db2.gz MHCDCFLKGADMMV-UHFFFAOYSA-N 1 1 349.412 0.393 20 30 ECEDMO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OC)cc2)CC1 ZINC000921439795 609717159 /nfs/dbraw/zinc/71/71/59/609717159.db2.gz KGJYHICHNJYTPX-UHFFFAOYSA-N 1 1 336.413 0.849 20 30 ECEDMO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910569230 609732558 /nfs/dbraw/zinc/73/25/58/609732558.db2.gz NTBUOUFYKALEEX-QFBILLFUSA-N 1 1 340.427 0.927 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)C1 ZINC000923594553 609741115 /nfs/dbraw/zinc/74/11/15/609741115.db2.gz CDZUAKYOYKBRRC-CVEARBPZSA-N 1 1 328.416 0.480 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)C1 ZINC000923594553 609741116 /nfs/dbraw/zinc/74/11/16/609741116.db2.gz CDZUAKYOYKBRRC-CVEARBPZSA-N 1 1 328.416 0.480 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[C@@H]1C ZINC000948012046 609761966 /nfs/dbraw/zinc/76/19/66/609761966.db2.gz MBRPTDHHSKDZKL-QWRGUYRKSA-N 1 1 328.800 0.260 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[C@@H]1C ZINC000948012046 609761967 /nfs/dbraw/zinc/76/19/67/609761967.db2.gz MBRPTDHHSKDZKL-QWRGUYRKSA-N 1 1 328.800 0.260 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C[C@@H]1C ZINC000947343994 609784031 /nfs/dbraw/zinc/78/40/31/609784031.db2.gz RYHCKUGNDOUSEK-KBPBESRZSA-N 1 1 332.452 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C ZINC000947262732 609793809 /nfs/dbraw/zinc/79/38/09/609793809.db2.gz CHPJZJQHDVKKSO-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C ZINC000947262732 609793811 /nfs/dbraw/zinc/79/38/11/609793811.db2.gz CHPJZJQHDVKKSO-BMFZPTHFSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H](C(=O)OCC)C2)C1 ZINC000923595530 609801165 /nfs/dbraw/zinc/80/11/65/609801165.db2.gz UQZZMFCVVHSUST-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H](C(=O)OCC)C2)C1 ZINC000923595530 609801167 /nfs/dbraw/zinc/80/11/67/609801167.db2.gz UQZZMFCVVHSUST-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CN3C)C1 ZINC000923596175 609805542 /nfs/dbraw/zinc/80/55/42/609805542.db2.gz ZWPPXERWJGTSQS-CYBMUJFWSA-N 1 1 327.388 0.297 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CN3C)C1 ZINC000923596175 609805544 /nfs/dbraw/zinc/80/55/44/609805544.db2.gz ZWPPXERWJGTSQS-CYBMUJFWSA-N 1 1 327.388 0.297 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000938539292 609857122 /nfs/dbraw/zinc/85/71/22/609857122.db2.gz GTJTTXCBPMFBJY-HOTGVXAUSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000938298009 609892991 /nfs/dbraw/zinc/89/29/91/609892991.db2.gz ORTKADVSRRPFMI-ZFWWWQNUSA-N 1 1 332.379 0.582 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000938298009 609892993 /nfs/dbraw/zinc/89/29/93/609892993.db2.gz ORTKADVSRRPFMI-ZFWWWQNUSA-N 1 1 332.379 0.582 20 30 ECEDMO C#CC[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000911962401 609924321 /nfs/dbraw/zinc/92/43/21/609924321.db2.gz AAMIHUCLZRBZAJ-UHFFFAOYSA-N 1 1 334.401 0.319 20 30 ECEDMO CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)C1 ZINC000912294843 609944651 /nfs/dbraw/zinc/94/46/51/609944651.db2.gz HOYLAESLBDLBNQ-LJQANCHMSA-N 1 1 341.459 0.959 20 30 ECEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)CC[N@@H+](C)CCO ZINC000912610203 609978489 /nfs/dbraw/zinc/97/84/89/609978489.db2.gz AGFQVMUKNVXDAG-UHFFFAOYSA-N 1 1 335.452 0.729 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]cc2F)C1 ZINC000938756764 609982508 /nfs/dbraw/zinc/98/25/08/609982508.db2.gz XFQMMIKYUAJRII-OCCSQVGLSA-N 1 1 347.394 0.319 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2n[nH]cc2F)C1 ZINC000938756764 609982509 /nfs/dbraw/zinc/98/25/09/609982509.db2.gz XFQMMIKYUAJRII-OCCSQVGLSA-N 1 1 347.394 0.319 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000938878463 610008355 /nfs/dbraw/zinc/00/83/55/610008355.db2.gz LQRXBLAVJUUXSH-AWEZNQCLSA-N 1 1 340.387 0.764 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938904047 610036649 /nfs/dbraw/zinc/03/66/49/610036649.db2.gz XHSAPEWIIGEGCX-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000938999773 610065356 /nfs/dbraw/zinc/06/53/56/610065356.db2.gz XRNYMAQMGSNHHU-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000938999773 610065357 /nfs/dbraw/zinc/06/53/57/610065357.db2.gz XRNYMAQMGSNHHU-HUUCEWRRSA-N 1 1 337.464 0.979 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC000939665092 610080152 /nfs/dbraw/zinc/08/01/52/610080152.db2.gz LWRDHGSJUYYEEH-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC000939665092 610080154 /nfs/dbraw/zinc/08/01/54/610080154.db2.gz LWRDHGSJUYYEEH-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC000939257898 610132172 /nfs/dbraw/zinc/13/21/72/610132172.db2.gz FGNNXSVHUZRYFS-CABCVRRESA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC000939257898 610132173 /nfs/dbraw/zinc/13/21/73/610132173.db2.gz FGNNXSVHUZRYFS-CABCVRRESA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC000939257899 610132217 /nfs/dbraw/zinc/13/22/17/610132217.db2.gz FGNNXSVHUZRYFS-GJZGRUSLSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC000939257899 610132218 /nfs/dbraw/zinc/13/22/18/610132218.db2.gz FGNNXSVHUZRYFS-GJZGRUSLSA-N 1 1 341.415 0.247 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nncs3)C2)nn1 ZINC000939276996 610146416 /nfs/dbraw/zinc/14/64/16/610146416.db2.gz JJLILGMIESXNDZ-GHMZBOCLSA-N 1 1 333.421 0.566 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)nn1 ZINC000939277356 610146582 /nfs/dbraw/zinc/14/65/82/610146582.db2.gz ORJYCABWUJQWHS-CMPLNLGQSA-N 1 1 330.396 0.141 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2ccc(C)o2)C1 ZINC000940077566 610203558 /nfs/dbraw/zinc/20/35/58/610203558.db2.gz WDTMOMBYIXIAEM-WBVHZDCISA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2ccc(C)o2)C1 ZINC000940077566 610203559 /nfs/dbraw/zinc/20/35/59/610203559.db2.gz WDTMOMBYIXIAEM-WBVHZDCISA-N 1 1 343.427 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC000939513568 610223826 /nfs/dbraw/zinc/22/38/26/610223826.db2.gz HDCSXYPFFSCFPA-OCCSQVGLSA-N 1 1 347.394 0.319 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC000939513568 610223827 /nfs/dbraw/zinc/22/38/27/610223827.db2.gz HDCSXYPFFSCFPA-OCCSQVGLSA-N 1 1 347.394 0.319 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000939544387 610233012 /nfs/dbraw/zinc/23/30/12/610233012.db2.gz LJPRLYWTNGTEFY-CABCVRRESA-N 1 1 335.448 0.733 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000939544387 610233013 /nfs/dbraw/zinc/23/30/13/610233013.db2.gz LJPRLYWTNGTEFY-CABCVRRESA-N 1 1 335.448 0.733 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cncnc2C)C1 ZINC000939558933 610235153 /nfs/dbraw/zinc/23/51/53/610235153.db2.gz QKSHUXVBNCTVOZ-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cncnc2C)C1 ZINC000939558933 610235155 /nfs/dbraw/zinc/23/51/55/610235155.db2.gz QKSHUXVBNCTVOZ-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccn(C(F)F)n3)CC2)C1 ZINC000941422384 610307704 /nfs/dbraw/zinc/30/77/04/610307704.db2.gz LZGWCCFFQXZZEY-UHFFFAOYSA-N 1 1 325.363 0.906 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)C1 ZINC000941437116 610314898 /nfs/dbraw/zinc/31/48/98/610314898.db2.gz SCTGQXFHBIDJRJ-IBGZPJMESA-N 1 1 344.503 0.855 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc4nccnc4c3)CC2)C1 ZINC000941440769 610316597 /nfs/dbraw/zinc/31/65/97/610316597.db2.gz QMVIEGQPTMJBHN-UHFFFAOYSA-N 1 1 338.415 0.653 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn(C)c3Cl)CC2)C1 ZINC000941459460 610320006 /nfs/dbraw/zinc/32/00/06/610320006.db2.gz AUPQEKLNTRTDFT-UHFFFAOYSA-N 1 1 335.839 0.539 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)C1 ZINC000941451618 610325893 /nfs/dbraw/zinc/32/58/93/610325893.db2.gz MWRYDIKDCJNHEP-UHFFFAOYSA-N 1 1 345.447 0.405 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cccc4ncnn43)CC2)C1 ZINC000941475979 610332528 /nfs/dbraw/zinc/33/25/28/610332528.db2.gz GEAJQBFLDIXOCN-UHFFFAOYSA-N 1 1 326.404 0.357 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)C1 ZINC000941479936 610335124 /nfs/dbraw/zinc/33/51/24/610335124.db2.gz BRLFVPBBPJBLCH-OAHLLOKOSA-N 1 1 349.479 0.182 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)CCc3nccn3C)CC2)C1 ZINC000941499805 610344542 /nfs/dbraw/zinc/34/45/42/610344542.db2.gz DXDPICDDSBKVTP-UHFFFAOYSA-N 1 1 331.464 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C(C)(C)C1 ZINC000940743820 610353272 /nfs/dbraw/zinc/35/32/72/610353272.db2.gz CNCZXMLRLBRKJO-CYBMUJFWSA-N 1 1 333.432 0.621 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000940762545 610354127 /nfs/dbraw/zinc/35/41/27/610354127.db2.gz BAYPOAWKMHOTIH-DLBZAZTESA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000940762545 610354129 /nfs/dbraw/zinc/35/41/29/610354129.db2.gz BAYPOAWKMHOTIH-DLBZAZTESA-N 1 1 347.459 0.714 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC000941538009 610358101 /nfs/dbraw/zinc/35/81/01/610358101.db2.gz SNEJRMXZWBWAIY-UHFFFAOYSA-N 1 1 333.436 0.203 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](C)C1 ZINC000942258947 610363783 /nfs/dbraw/zinc/36/37/83/610363783.db2.gz QYHYCAFCPACRJL-RYUDHWBXSA-N 1 1 339.417 0.391 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1 ZINC000942260681 610365421 /nfs/dbraw/zinc/36/54/21/610365421.db2.gz ZIEIXBHAIXDSIW-MNOVXSKESA-N 1 1 325.390 0.000 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(C)nn3CC)CC2)C1 ZINC000941578279 610391446 /nfs/dbraw/zinc/39/14/46/610391446.db2.gz GVULPNZXFVEXDZ-UHFFFAOYSA-N 1 1 329.448 0.677 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000940847440 610398481 /nfs/dbraw/zinc/39/84/81/610398481.db2.gz XIPHWXUKGONZHZ-ZIAGYGMSSA-N 1 1 345.447 0.786 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603189 610403257 /nfs/dbraw/zinc/40/32/57/610403257.db2.gz GEDUFDIEJGDJGH-AEFFLSMTSA-N 1 1 330.476 0.465 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)COc3cccnc3)CC2)C1 ZINC000941607437 610405100 /nfs/dbraw/zinc/40/51/00/610405100.db2.gz OAHXIILYJUGIDE-UHFFFAOYSA-N 1 1 328.416 0.312 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn(CC4CC4)c3)CC2)C1 ZINC000941632733 610418928 /nfs/dbraw/zinc/41/89/28/610418928.db2.gz PVQFZGLGDIDQKF-UHFFFAOYSA-N 1 1 329.448 0.921 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)N3CCCC3=O)CC2)C1 ZINC000941636170 610422153 /nfs/dbraw/zinc/42/21/53/610422153.db2.gz DXQIKVXFWLLSGU-MRXNPFEDSA-N 1 1 346.475 0.239 20 30 ECEDMO C=C(Cl)CN1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941636384 610422325 /nfs/dbraw/zinc/42/23/25/610422325.db2.gz KCHLSVMOXMKRCN-OAHLLOKOSA-N 1 1 340.899 0.909 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn(C(C)C)c3)CC2)C1 ZINC000941636351 610422516 /nfs/dbraw/zinc/42/25/16/610422516.db2.gz ILCSFGZGLRQSJA-UHFFFAOYSA-N 1 1 329.448 0.929 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](C)C1 ZINC000942393838 610429242 /nfs/dbraw/zinc/42/92/42/610429242.db2.gz PGUOMQXIHDNKNU-ZIAGYGMSSA-N 1 1 334.420 0.516 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC000941641444 610435077 /nfs/dbraw/zinc/43/50/77/610435077.db2.gz AQGDFDKFXJMYAD-UHFFFAOYSA-N 1 1 330.432 0.403 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000940944727 610455962 /nfs/dbraw/zinc/45/59/62/610455962.db2.gz SQYKMTNQRPEWCN-NWDGAFQWSA-N 1 1 328.844 0.979 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000940944727 610455964 /nfs/dbraw/zinc/45/59/64/610455964.db2.gz SQYKMTNQRPEWCN-NWDGAFQWSA-N 1 1 328.844 0.979 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cccnc3N(C)C)CC2)C1 ZINC000941665918 610457379 /nfs/dbraw/zinc/45/73/79/610457379.db2.gz KQKAJNHFLCEEEF-UHFFFAOYSA-N 1 1 341.459 0.613 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC000940965520 610470032 /nfs/dbraw/zinc/47/00/32/610470032.db2.gz BJFZEOITFUFOCR-KGLIPLIRSA-N 1 1 339.386 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC000940965520 610470034 /nfs/dbraw/zinc/47/00/34/610470034.db2.gz BJFZEOITFUFOCR-KGLIPLIRSA-N 1 1 339.386 0.800 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)C1 ZINC000941000503 610478295 /nfs/dbraw/zinc/47/82/95/610478295.db2.gz CNGSHLDZRKWBDC-MRXNPFEDSA-N 1 1 333.432 0.181 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)C1 ZINC000941000503 610478296 /nfs/dbraw/zinc/47/82/96/610478296.db2.gz CNGSHLDZRKWBDC-MRXNPFEDSA-N 1 1 333.432 0.181 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941789620 610496037 /nfs/dbraw/zinc/49/60/37/610496037.db2.gz MLFRMWXPGUMYPP-BXUZGUMPSA-N 1 1 345.432 0.633 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC000947903105 610504488 /nfs/dbraw/zinc/50/44/88/610504488.db2.gz CTQYSJOOGNUUNB-QWHCGFSZSA-N 1 1 332.404 0.714 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC000947903105 610504489 /nfs/dbraw/zinc/50/44/89/610504489.db2.gz CTQYSJOOGNUUNB-QWHCGFSZSA-N 1 1 332.404 0.714 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](C)C1 ZINC000942546958 610506958 /nfs/dbraw/zinc/50/69/58/610506958.db2.gz CZVVFKJENXKGKS-WCQYABFASA-N 1 1 342.407 0.157 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H](C)C1 ZINC000942615291 610538175 /nfs/dbraw/zinc/53/81/75/610538175.db2.gz HGGXSRMYFWLFHZ-CMPLNLGQSA-N 1 1 341.437 0.073 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](OC)C2)C1 ZINC000941855554 610538564 /nfs/dbraw/zinc/53/85/64/610538564.db2.gz KEOYOLOARYVZEJ-RRFJBIMHSA-N 1 1 335.448 0.636 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nc1 ZINC000941882247 610540414 /nfs/dbraw/zinc/54/04/14/610540414.db2.gz UBGHMYNNZONCKM-OAHLLOKOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000941874663 610548542 /nfs/dbraw/zinc/54/85/42/610548542.db2.gz IYAAYNNMWMMJDM-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000941879458 610550188 /nfs/dbraw/zinc/55/01/88/610550188.db2.gz GICCCCZFKVCKPN-JKSUJKDBSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnon3)C(C)(C)C2)C1=O ZINC000941112605 610557174 /nfs/dbraw/zinc/55/71/74/610557174.db2.gz FFBBXUBNVPUKQZ-KGLIPLIRSA-N 1 1 347.419 0.687 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941928655 610567140 /nfs/dbraw/zinc/56/71/40/610567140.db2.gz FWGABSIQJXFKRH-TZMCWYRMSA-N 1 1 344.419 0.352 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931070 610567909 /nfs/dbraw/zinc/56/79/09/610567909.db2.gz WZPDLHNKENYKMM-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000941149396 610573755 /nfs/dbraw/zinc/57/37/55/610573755.db2.gz XXRCJTSZXOJXQX-CYBMUJFWSA-N 1 1 334.420 0.168 20 30 ECEDMO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000942728304 610588705 /nfs/dbraw/zinc/58/87/05/610588705.db2.gz CFCDTEWCNHREIL-CABCVRRESA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC000941245781 610616524 /nfs/dbraw/zinc/61/65/24/610616524.db2.gz UUYXHDYOWNVTGR-UPJWGTAASA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC000941245781 610616526 /nfs/dbraw/zinc/61/65/26/610616526.db2.gz UUYXHDYOWNVTGR-UPJWGTAASA-N 1 1 345.365 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000941238024 610621999 /nfs/dbraw/zinc/62/19/99/610621999.db2.gz QGRHZUODXNYMOC-ZACQAIPSSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000941238024 610622002 /nfs/dbraw/zinc/62/20/02/610622002.db2.gz QGRHZUODXNYMOC-ZACQAIPSSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)C1 ZINC000941410411 610720017 /nfs/dbraw/zinc/72/00/17/610720017.db2.gz GSOMYRTUZCSPOA-INIZCTEOSA-N 1 1 341.459 0.681 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)N3CCCCC3=O)CC2)C1 ZINC000941403786 610720501 /nfs/dbraw/zinc/72/05/01/610720501.db2.gz ICSBWPXWIQARBD-MRXNPFEDSA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408610 610722355 /nfs/dbraw/zinc/72/23/55/610722355.db2.gz NBAHOPNMVCUHNJ-QZTJIDSGSA-N 1 1 344.503 0.713 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@@H](C)C1 ZINC000944136098 610752644 /nfs/dbraw/zinc/75/26/44/610752644.db2.gz RRKWOUYFCNUPTH-WDEREUQCSA-N 1 1 334.376 0.360 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000944141166 610754574 /nfs/dbraw/zinc/75/45/74/610754574.db2.gz AZLKFWHICKQVMI-CQSZACIVSA-N 1 1 340.387 0.812 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H](C)C1 ZINC000943234703 610760663 /nfs/dbraw/zinc/76/06/63/610760663.db2.gz VZQDTTZSFSWITA-KBPBESRZSA-N 1 1 344.419 0.294 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](C)C1 ZINC000944152799 610768191 /nfs/dbraw/zinc/76/81/91/610768191.db2.gz DIQPWXNKZQDYIX-STQMWFEESA-N 1 1 344.419 0.824 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2C)nc1 ZINC000944191440 610775611 /nfs/dbraw/zinc/77/56/11/610775611.db2.gz CSMOLIQFUIGRDF-ZFWWWQNUSA-N 1 1 328.416 0.591 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@H](C)C1 ZINC000944191698 610775644 /nfs/dbraw/zinc/77/56/44/610775644.db2.gz DRIAVRZJVMISAQ-UKRRQHHQSA-N 1 1 328.416 0.905 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](OC)C2)C1 ZINC000943301420 610790242 /nfs/dbraw/zinc/79/02/42/610790242.db2.gz UBXLYSZORZTTJH-HUUCEWRRSA-N 1 1 346.431 0.890 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000944906031 610834638 /nfs/dbraw/zinc/83/46/38/610834638.db2.gz GWRNMWMIVLQUNM-HUUCEWRRSA-N 1 1 343.493 0.120 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944594625 611001936 /nfs/dbraw/zinc/00/19/36/611001936.db2.gz JJOVBLFGHXJLBK-DLBZAZTESA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC000943848066 611002303 /nfs/dbraw/zinc/00/23/03/611002303.db2.gz XDLOBYIJRIWRGW-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC000943848066 611002305 /nfs/dbraw/zinc/00/23/05/611002305.db2.gz XDLOBYIJRIWRGW-OWCLPIDISA-N 1 1 333.432 0.370 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000943910638 611035066 /nfs/dbraw/zinc/03/50/66/611035066.db2.gz KYUQSDAPKSUYMH-IXDOHACOSA-N 1 1 346.475 0.285 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC000943914171 611038234 /nfs/dbraw/zinc/03/82/34/611038234.db2.gz IEAGIEYDEAZMJL-HIFRSBDPSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000943957071 611056327 /nfs/dbraw/zinc/05/63/27/611056327.db2.gz YIMZDWQMSOUYBL-HOTGVXAUSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000943957071 611056330 /nfs/dbraw/zinc/05/63/30/611056330.db2.gz YIMZDWQMSOUYBL-HOTGVXAUSA-N 1 1 333.432 0.370 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000944028400 611089395 /nfs/dbraw/zinc/08/93/95/611089395.db2.gz DWHVCXNZUCZXTJ-OAHLLOKOSA-N 1 1 340.387 0.812 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)CC[C@@H]2C1 ZINC000946884779 611224647 /nfs/dbraw/zinc/22/46/47/611224647.db2.gz NFOMQCHWLNRPCQ-OKILXGFUSA-N 1 1 343.431 0.936 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC[C@@H]2C1 ZINC000946884991 611225148 /nfs/dbraw/zinc/22/51/48/611225148.db2.gz UNIKKHRAPROQHS-ZNMIVQPWSA-N 1 1 346.431 0.168 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)CC[C@@H]2C1 ZINC000946890241 611231142 /nfs/dbraw/zinc/23/11/42/611231142.db2.gz LGJZGBIKIFYNAG-OKILXGFUSA-N 1 1 344.415 0.293 20 30 ECEDMO C#CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000921528120 611246869 /nfs/dbraw/zinc/24/68/69/611246869.db2.gz SYWYOHVBTXVAKF-MSOLQXFVSA-N 1 1 348.491 0.761 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC[C@@H]2C1 ZINC000946915615 611258107 /nfs/dbraw/zinc/25/81/07/611258107.db2.gz NWNVOZUBMCMOQL-ZNMIVQPWSA-N 1 1 333.432 0.786 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)C1 ZINC000923563626 611263302 /nfs/dbraw/zinc/26/33/02/611263302.db2.gz IKUNWPSMSQKPGO-ZIAGYGMSSA-N 1 1 328.420 0.777 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)C1 ZINC000923563626 611263304 /nfs/dbraw/zinc/26/33/04/611263304.db2.gz IKUNWPSMSQKPGO-ZIAGYGMSSA-N 1 1 328.420 0.777 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000923572056 611265133 /nfs/dbraw/zinc/26/51/33/611265133.db2.gz UVWARWPURRNKPQ-STQMWFEESA-N 1 1 329.466 0.164 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000923572056 611265135 /nfs/dbraw/zinc/26/51/35/611265135.db2.gz UVWARWPURRNKPQ-STQMWFEESA-N 1 1 329.466 0.164 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000923590619 611270945 /nfs/dbraw/zinc/27/09/45/611270945.db2.gz YHZIEUJIVCVEPO-CABCVRRESA-N 1 1 329.400 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000923590619 611270947 /nfs/dbraw/zinc/27/09/47/611270947.db2.gz YHZIEUJIVCVEPO-CABCVRRESA-N 1 1 329.400 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cn(C)cn2)CC1 ZINC000946458146 611274492 /nfs/dbraw/zinc/27/44/92/611274492.db2.gz TWPRFVUSVLFHTI-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cn(C)cn2)CC1 ZINC000946458146 611274493 /nfs/dbraw/zinc/27/44/93/611274493.db2.gz TWPRFVUSVLFHTI-INIZCTEOSA-N 1 1 343.431 0.239 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000946518443 611297358 /nfs/dbraw/zinc/29/73/58/611297358.db2.gz ZBLFEPQIRPVUKJ-UHFFFAOYSA-N 1 1 340.387 0.812 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]3CC2)c[nH]1 ZINC000946558796 611319198 /nfs/dbraw/zinc/31/91/98/611319198.db2.gz LREJCUQZMYPJQR-ZENOOKHLSA-N 1 1 341.415 0.559 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000921885201 611323505 /nfs/dbraw/zinc/32/35/05/611323505.db2.gz OSTYBHPVBGOMIF-SJORKVTESA-N 1 1 331.416 0.437 20 30 ECEDMO N#CCC1(CS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000921910927 611325736 /nfs/dbraw/zinc/32/57/36/611325736.db2.gz MXYXXYSEBYEFGV-AWEZNQCLSA-N 1 1 327.450 0.853 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)n1 ZINC000922450172 611351161 /nfs/dbraw/zinc/35/11/61/611351161.db2.gz RQRKNWYQIBMZNJ-NWDGAFQWSA-N 1 1 335.437 0.029 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@H](C)C1 ZINC000947943195 611750465 /nfs/dbraw/zinc/75/04/65/611750465.db2.gz JDNZQSOEXQDEGQ-KGLIPLIRSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@H](C)C1 ZINC000947943195 611750466 /nfs/dbraw/zinc/75/04/66/611750466.db2.gz JDNZQSOEXQDEGQ-KGLIPLIRSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccncn2)CC1 ZINC000947950254 611753387 /nfs/dbraw/zinc/75/33/87/611753387.db2.gz UHMYHPHXUGBDMT-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccncn2)CC1 ZINC000947950254 611753389 /nfs/dbraw/zinc/75/33/89/611753389.db2.gz UHMYHPHXUGBDMT-INIZCTEOSA-N 1 1 341.415 0.295 20 30 ECEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000934464019 611801443 /nfs/dbraw/zinc/80/14/43/611801443.db2.gz AVMZMQJIPSOYDC-AWEZNQCLSA-N 1 1 331.482 0.813 20 30 ECEDMO C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)CS(C)(=O)=O)CCO2 ZINC000949038135 611821518 /nfs/dbraw/zinc/82/15/18/611821518.db2.gz KWUGRLZNMIJZAI-UHFFFAOYSA-N 1 1 330.450 0.301 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000949997346 611838118 /nfs/dbraw/zinc/83/81/18/611838118.db2.gz SXFQMDYVZLRAEB-HOCLYGCPSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000949997346 611838119 /nfs/dbraw/zinc/83/81/19/611838119.db2.gz SXFQMDYVZLRAEB-HOCLYGCPSA-N 1 1 328.416 0.833 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)C[C@H]2CC[N@H+](C)C2)nn1 ZINC000950053114 611854193 /nfs/dbraw/zinc/85/41/93/611854193.db2.gz QFYKBWZXVFKWIS-ZIAGYGMSSA-N 1 1 346.435 0.137 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)nc1 ZINC000949142533 611872858 /nfs/dbraw/zinc/87/28/58/611872858.db2.gz BJLDGQDVQBPMNT-GDBMZVCRSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnn(C)c1C ZINC000950753066 611888997 /nfs/dbraw/zinc/88/89/97/611888997.db2.gz GSIVJYOVOHCFNW-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnn(C)c1C ZINC000950753066 611888999 /nfs/dbraw/zinc/88/89/99/611888999.db2.gz GSIVJYOVOHCFNW-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnn(C)c1C ZINC000950753064 611889047 /nfs/dbraw/zinc/88/90/47/611889047.db2.gz GSIVJYOVOHCFNW-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnn(C)c1C ZINC000950753064 611889049 /nfs/dbraw/zinc/88/90/49/611889049.db2.gz GSIVJYOVOHCFNW-HOCLYGCPSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCc1cn[nH]c1 ZINC000950754974 611890333 /nfs/dbraw/zinc/89/03/33/611890333.db2.gz AOFXOWVGOVFUIB-HOTGVXAUSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCc1cn[nH]c1 ZINC000950754974 611890334 /nfs/dbraw/zinc/89/03/34/611890334.db2.gz AOFXOWVGOVFUIB-HOTGVXAUSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCc1ncc[nH]1 ZINC000950755876 611891924 /nfs/dbraw/zinc/89/19/24/611891924.db2.gz WWEJGANHQBFCHG-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCc1ncc[nH]1 ZINC000950755876 611891925 /nfs/dbraw/zinc/89/19/25/611891925.db2.gz WWEJGANHQBFCHG-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnccc1C ZINC000949222691 611907277 /nfs/dbraw/zinc/90/72/77/611907277.db2.gz VWYAWKNWOGZCKY-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnccc1C ZINC000949222691 611907278 /nfs/dbraw/zinc/90/72/78/611907278.db2.gz VWYAWKNWOGZCKY-RDJZCZTQSA-N 1 1 340.427 0.818 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000949244083 611917757 /nfs/dbraw/zinc/91/77/57/611917757.db2.gz VTPAYSAKOLYQAJ-ZBFHGGJFSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000949244083 611917758 /nfs/dbraw/zinc/91/77/58/611917758.db2.gz VTPAYSAKOLYQAJ-ZBFHGGJFSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC2)C1 ZINC000949379279 611957606 /nfs/dbraw/zinc/95/76/06/611957606.db2.gz WBLMWGMDIPBXTM-AWEZNQCLSA-N 1 1 349.431 0.403 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC2)C1 ZINC000949379279 611957607 /nfs/dbraw/zinc/95/76/07/611957607.db2.gz WBLMWGMDIPBXTM-AWEZNQCLSA-N 1 1 349.431 0.403 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCOC3(CCN(C(=O)C(N)=O)CC3)C2)cc1 ZINC000949458521 611988290 /nfs/dbraw/zinc/98/82/90/611988290.db2.gz FMFPCVRDOVAPDI-UHFFFAOYSA-N 1 1 342.399 0.237 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCOC3(CCN(C(=O)C(N)=O)CC3)C2)cc1 ZINC000949458521 611988291 /nfs/dbraw/zinc/98/82/91/611988291.db2.gz FMFPCVRDOVAPDI-UHFFFAOYSA-N 1 1 342.399 0.237 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC000949472977 611992725 /nfs/dbraw/zinc/99/27/25/611992725.db2.gz QOZXNIZPDBMVRT-UHFFFAOYSA-N 1 1 346.431 0.997 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 ZINC000949493473 612005185 /nfs/dbraw/zinc/00/51/85/612005185.db2.gz VPKKWICKUQTSLJ-OAHLLOKOSA-N 1 1 333.432 0.372 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 ZINC000949493473 612005186 /nfs/dbraw/zinc/00/51/86/612005186.db2.gz VPKKWICKUQTSLJ-OAHLLOKOSA-N 1 1 333.432 0.372 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccn(C)c2)C1 ZINC000950431822 612016777 /nfs/dbraw/zinc/01/67/77/612016777.db2.gz SYHWIEMUMRLYCP-SJORKVTESA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccn(C)c2)C1 ZINC000950431822 612016779 /nfs/dbraw/zinc/01/67/79/612016779.db2.gz SYHWIEMUMRLYCP-SJORKVTESA-N 1 1 342.443 0.844 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC000949526148 612021083 /nfs/dbraw/zinc/02/10/83/612021083.db2.gz GBAMUIDMHGMMHO-UHFFFAOYSA-N 1 1 343.427 0.565 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC000949526148 612021085 /nfs/dbraw/zinc/02/10/85/612021085.db2.gz GBAMUIDMHGMMHO-UHFFFAOYSA-N 1 1 343.427 0.565 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cccc(C(N)=O)n3)CC2)C1 ZINC000949534431 612023967 /nfs/dbraw/zinc/02/39/67/612023967.db2.gz XKTKGGVKZDSWNS-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cccc(C(N)=O)n3)CC2)C1 ZINC000949534431 612023969 /nfs/dbraw/zinc/02/39/69/612023969.db2.gz XKTKGGVKZDSWNS-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000950482639 612035514 /nfs/dbraw/zinc/03/55/14/612035514.db2.gz NTWUHKWDHRHTLK-AWEZNQCLSA-N 1 1 340.387 0.812 20 30 ECEDMO C=CCN1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1=O ZINC000950491232 612037478 /nfs/dbraw/zinc/03/74/78/612037478.db2.gz KQRINUUSTOYTEV-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC000949622492 612044975 /nfs/dbraw/zinc/04/49/75/612044975.db2.gz QOTRJHVMJDIRSI-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC000949622492 612044976 /nfs/dbraw/zinc/04/49/76/612044976.db2.gz QOTRJHVMJDIRSI-HIFRSBDPSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2ncnn2CC)C1 ZINC000950533126 612057552 /nfs/dbraw/zinc/05/75/52/612057552.db2.gz AHQVQUXAWKXDGV-INIZCTEOSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2ncnn2CC)C1 ZINC000950533126 612057553 /nfs/dbraw/zinc/05/75/53/612057553.db2.gz AHQVQUXAWKXDGV-INIZCTEOSA-N 1 1 344.463 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccncn2)C1 ZINC000951223326 612087953 /nfs/dbraw/zinc/08/79/53/612087953.db2.gz DQFSRFUCWPUDSI-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ccncn2)C1 ZINC000951223326 612087954 /nfs/dbraw/zinc/08/79/54/612087954.db2.gz DQFSRFUCWPUDSI-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ncoc2C)C1 ZINC000951223408 612088560 /nfs/dbraw/zinc/08/85/60/612088560.db2.gz HCZAXUZQYVGJNP-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2ncoc2C)C1 ZINC000951223408 612088561 /nfs/dbraw/zinc/08/85/61/612088561.db2.gz HCZAXUZQYVGJNP-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1)CC2 ZINC000951852924 612096394 /nfs/dbraw/zinc/09/63/94/612096394.db2.gz QRWAZKBYGOPYAW-RDJZCZTQSA-N 1 1 340.427 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000951385940 612198836 /nfs/dbraw/zinc/19/88/36/612198836.db2.gz PYGIEYAXDHYPOX-SJORKVTESA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1)CC2 ZINC000955136727 612299459 /nfs/dbraw/zinc/29/94/59/612299459.db2.gz ONKCSAVYFDJABB-AAEUAGOBSA-N 1 1 329.404 0.583 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000953906413 612424858 /nfs/dbraw/zinc/42/48/58/612424858.db2.gz BRARPELJUXLKSR-PMPSAXMXSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ncoc2CC)C1 ZINC000953932714 612462113 /nfs/dbraw/zinc/46/21/13/612462113.db2.gz XUTPFIJDGCLQNE-AWEZNQCLSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ncoc2CC)C1 ZINC000953932714 612462117 /nfs/dbraw/zinc/46/21/17/612462117.db2.gz XUTPFIJDGCLQNE-AWEZNQCLSA-N 1 1 344.415 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951681497 612466557 /nfs/dbraw/zinc/46/65/57/612466557.db2.gz IIZFYBWHLBHVRT-NRKLIOEPSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951681497 612466560 /nfs/dbraw/zinc/46/65/60/612466560.db2.gz IIZFYBWHLBHVRT-NRKLIOEPSA-N 1 1 345.443 0.084 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000954630351 612467209 /nfs/dbraw/zinc/46/72/09/612467209.db2.gz CPOIBWODMDJLOU-HNNXBMFYSA-N 1 1 342.399 0.168 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000954630351 612467212 /nfs/dbraw/zinc/46/72/12/612467212.db2.gz CPOIBWODMDJLOU-HNNXBMFYSA-N 1 1 342.399 0.168 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2cscn2)C1 ZINC000954630534 612468511 /nfs/dbraw/zinc/46/85/11/612468511.db2.gz CUTIZMLVHLIODS-HNNXBMFYSA-N 1 1 346.456 0.452 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2cscn2)C1 ZINC000954630534 612468514 /nfs/dbraw/zinc/46/85/14/612468514.db2.gz CUTIZMLVHLIODS-HNNXBMFYSA-N 1 1 346.456 0.452 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]c(C)n2)C1 ZINC000954631612 612470351 /nfs/dbraw/zinc/47/03/51/612470351.db2.gz ZTNYUFCLTPKVHD-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]c(C)n2)C1 ZINC000954631612 612470355 /nfs/dbraw/zinc/47/03/55/612470355.db2.gz ZTNYUFCLTPKVHD-HNNXBMFYSA-N 1 1 329.404 0.099 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000955344322 612471730 /nfs/dbraw/zinc/47/17/30/612471730.db2.gz MKSZUWVRRYSXER-LBPRGKRZSA-N 1 1 329.404 0.511 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC000952538029 612491890 /nfs/dbraw/zinc/49/18/90/612491890.db2.gz IBFVYWJNUHHWOB-ZACQAIPSSA-N 1 1 329.444 0.943 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000955365278 612503045 /nfs/dbraw/zinc/50/30/45/612503045.db2.gz ISZCBHPXZZKARX-MIGQKNRLSA-N 1 1 335.448 0.587 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000956774689 612511601 /nfs/dbraw/zinc/51/16/01/612511601.db2.gz DXWLBIUKHXZWTQ-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC000954710096 612580089 /nfs/dbraw/zinc/58/00/89/612580089.db2.gz NJHKPSRWUSYZCU-QGZVFWFLSA-N 1 1 340.427 0.830 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956838966 612609332 /nfs/dbraw/zinc/60/93/32/612609332.db2.gz VWNCLBSIQQOLCA-RHSMWYFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954088683 612647659 /nfs/dbraw/zinc/64/76/59/612647659.db2.gz XNSRTMZJKFMONM-FZMZJTMJSA-N 1 1 329.404 0.367 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000956208714 612778708 /nfs/dbraw/zinc/77/87/08/612778708.db2.gz NXUFVWQTMGFBCU-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC000954912314 612781690 /nfs/dbraw/zinc/78/16/90/612781690.db2.gz HUNYFMLLZMSGGU-DYVFJYSZSA-N 1 1 340.427 0.543 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC000954912138 612781902 /nfs/dbraw/zinc/78/19/02/612781902.db2.gz FIDFDKQRRGQKAX-CZUORRHYSA-N 1 1 340.427 0.686 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC000954913219 612782758 /nfs/dbraw/zinc/78/27/58/612782758.db2.gz RXWKSCDFMUTYKN-UHFFFAOYSA-N 1 1 337.383 0.551 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000954943130 612805146 /nfs/dbraw/zinc/80/51/46/612805146.db2.gz LGRIGZSWKRMJBI-QGZVFWFLSA-N 1 1 341.411 0.281 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000954943130 612805147 /nfs/dbraw/zinc/80/51/47/612805147.db2.gz LGRIGZSWKRMJBI-QGZVFWFLSA-N 1 1 341.411 0.281 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC000954317875 612846563 /nfs/dbraw/zinc/84/65/63/612846563.db2.gz BIXCDYCINKMAHJ-CYBMUJFWSA-N 1 1 346.435 0.089 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2csc(C)n2)C1 ZINC000955073850 612882810 /nfs/dbraw/zinc/88/28/10/612882810.db2.gz GEYFPDLLAHETET-HNNXBMFYSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2csc(C)n2)C1 ZINC000955073850 612882813 /nfs/dbraw/zinc/88/28/13/612882813.db2.gz GEYFPDLLAHETET-HNNXBMFYSA-N 1 1 346.456 0.832 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954408370 612895919 /nfs/dbraw/zinc/89/59/19/612895919.db2.gz CCHRLVXZDKXGHK-MIGQKNRLSA-N 1 1 335.448 0.587 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)C2CCOCC2)C1 ZINC000956628882 612926159 /nfs/dbraw/zinc/92/61/59/612926159.db2.gz NUBJWHITOOFVDX-QFBILLFUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)C2CCOCC2)C1 ZINC000956628882 612926160 /nfs/dbraw/zinc/92/61/60/612926160.db2.gz NUBJWHITOOFVDX-QFBILLFUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001078035602 782187525 /nfs/dbraw/zinc/18/75/25/782187525.db2.gz IOUUTORYKRCOCQ-KZNAEPCWSA-N 1 1 328.412 0.875 20 30 ECEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cnc(C#N)c(C)n1)CC2 ZINC001164687240 719733969 /nfs/dbraw/zinc/73/39/69/719733969.db2.gz VHFCPXVMNXABQN-UHFFFAOYSA-N 1 1 328.420 0.838 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971884189 735315434 /nfs/dbraw/zinc/31/54/34/735315434.db2.gz FEVIBWWZKIXACY-LLVKDONJSA-N 1 1 326.784 0.234 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971884189 735315436 /nfs/dbraw/zinc/31/54/36/735315436.db2.gz FEVIBWWZKIXACY-LLVKDONJSA-N 1 1 326.784 0.234 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000971951773 735434029 /nfs/dbraw/zinc/43/40/29/735434029.db2.gz HIGGSWGFRJIUNS-CYBMUJFWSA-N 1 1 349.884 0.697 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000971951773 735434031 /nfs/dbraw/zinc/43/40/31/735434031.db2.gz HIGGSWGFRJIUNS-CYBMUJFWSA-N 1 1 349.884 0.697 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Cc3cnn(C)c3)[C@H]2C1 ZINC001083236209 735499750 /nfs/dbraw/zinc/49/97/50/735499750.db2.gz QLLGOOWFJFSXOT-BHYGNILZSA-N 1 1 330.432 0.534 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)c2cncnc2CC)CC1 ZINC001098561392 735504831 /nfs/dbraw/zinc/50/48/31/735504831.db2.gz BBUQETMBAHWKNK-UHFFFAOYSA-N 1 1 330.432 0.961 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNc1ccnc(C#N)n1)C(C)(C)C ZINC001125810832 738435746 /nfs/dbraw/zinc/43/57/46/738435746.db2.gz FQAANXKSMWQTQP-CHWSQXEVSA-N 1 1 330.436 0.807 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4n[nH]c(C)c4c3)[C@H]2C1 ZINC001083275693 738492364 /nfs/dbraw/zinc/49/23/64/738492364.db2.gz RDUPJOSIDWRKOD-LSDHHAIUSA-N 1 1 327.388 0.978 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4n[nH]c(C)c4c3)[C@H]2C1 ZINC001083275693 738492368 /nfs/dbraw/zinc/49/23/68/738492368.db2.gz RDUPJOSIDWRKOD-LSDHHAIUSA-N 1 1 327.388 0.978 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069974866 790267759 /nfs/dbraw/zinc/26/77/59/790267759.db2.gz VIAIJTKDBRJQQI-OLZOCXBDSA-N 1 1 349.826 0.896 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N ZINC001125279641 731561272 /nfs/dbraw/zinc/56/12/72/731561272.db2.gz KVPCJFRQBPRJCC-ZIAGYGMSSA-N 1 1 346.435 0.088 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)nc1 ZINC001041793098 782220107 /nfs/dbraw/zinc/22/01/07/782220107.db2.gz DJKQPIOYHKZBPF-LPHOPBHVSA-N 1 1 338.411 0.489 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCO[C@H](CNc2ccnc(C#N)n2)C1 ZINC001111957079 738526855 /nfs/dbraw/zinc/52/68/55/738526855.db2.gz LNHBBJYFRKIYPG-CYBMUJFWSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cnccn3)C2)C1=O ZINC000969233690 731629258 /nfs/dbraw/zinc/62/92/58/731629258.db2.gz PMXMNPFTIASPNY-WFASDCNBSA-N 1 1 329.404 0.314 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC000973003032 738530755 /nfs/dbraw/zinc/53/07/55/738530755.db2.gz GRWBWQPGEGRADV-ULQDDVLXSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC000973003032 738530759 /nfs/dbraw/zinc/53/07/59/738530759.db2.gz GRWBWQPGEGRADV-ULQDDVLXSA-N 1 1 340.427 0.865 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973010209 738537712 /nfs/dbraw/zinc/53/77/12/738537712.db2.gz MHCOYLFVCQLZTO-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000973010209 738537714 /nfs/dbraw/zinc/53/77/14/738537714.db2.gz MHCOYLFVCQLZTO-GJZGRUSLSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000969411003 731819914 /nfs/dbraw/zinc/81/99/14/731819914.db2.gz WUSYWJAACMMWBF-MEDUHNTESA-N 1 1 344.390 0.912 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@@H](n2ccnn2)C1 ZINC001069980173 790274178 /nfs/dbraw/zinc/27/41/78/790274178.db2.gz GYPXOPQULXCOEJ-SJORKVTESA-N 1 1 338.415 0.969 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@@H](n2ccnn2)C1 ZINC001069980173 790274184 /nfs/dbraw/zinc/27/41/84/790274184.db2.gz GYPXOPQULXCOEJ-SJORKVTESA-N 1 1 338.415 0.969 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3n[nH]c(C)c3C)C2)C1=O ZINC000969421231 731848319 /nfs/dbraw/zinc/84/83/19/731848319.db2.gz VVDGTCCMLVMOQI-ZFWWWQNUSA-N 1 1 345.447 0.864 20 30 ECEDMO CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000969462005 731909212 /nfs/dbraw/zinc/90/92/12/731909212.db2.gz CEONENJXHFYGKN-ABAIWWIYSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC000969482279 731919773 /nfs/dbraw/zinc/91/97/73/731919773.db2.gz CTKJZVBOPNASFY-WFASDCNBSA-N 1 1 344.415 0.624 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000969514808 731935851 /nfs/dbraw/zinc/93/58/51/731935851.db2.gz SUCWZUSRVHCRRP-QWRGUYRKSA-N 1 1 329.404 0.604 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cnnc(C)c3)C2)C1=O ZINC000969560010 731967387 /nfs/dbraw/zinc/96/73/87/731967387.db2.gz BHXQRRPSJXVAOP-XJKSGUPXSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3nccc(C)n3)C2)C1=O ZINC000969588002 731987778 /nfs/dbraw/zinc/98/77/78/731987778.db2.gz INCOMBMBSUZHOJ-UKRRQHHQSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cnnn3CC)C2)C1=O ZINC000969624888 732007006 /nfs/dbraw/zinc/00/70/06/732007006.db2.gz OGQUJFGQIRSFBK-GXTWGEPZSA-N 1 1 346.435 0.135 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046570 738578570 /nfs/dbraw/zinc/57/85/70/738578570.db2.gz DYIJQQDFEWDJSN-BXUZGUMPSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046570 738578573 /nfs/dbraw/zinc/57/85/73/738578573.db2.gz DYIJQQDFEWDJSN-BXUZGUMPSA-N 1 1 331.420 0.803 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001041812384 782255518 /nfs/dbraw/zinc/25/55/18/782255518.db2.gz YXPLFUSFKAFATA-SJLPKXTDSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cc(C)ncn2)C1 ZINC000969865473 732461408 /nfs/dbraw/zinc/46/14/08/732461408.db2.gz OVPYNAGOUUILQY-YJBOKZPZSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cc(C)ncn2)C1 ZINC000969865473 732461409 /nfs/dbraw/zinc/46/14/09/732461409.db2.gz OVPYNAGOUUILQY-YJBOKZPZSA-N 1 1 341.459 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2csnn2)C1 ZINC000969870230 732468435 /nfs/dbraw/zinc/46/84/35/732468435.db2.gz VYYDKUALIHPFQX-DOMZBBRYSA-N 1 1 333.461 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2csnn2)C1 ZINC000969870230 732468439 /nfs/dbraw/zinc/46/84/39/732468439.db2.gz VYYDKUALIHPFQX-DOMZBBRYSA-N 1 1 333.461 0.572 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)c1 ZINC000969887710 732483517 /nfs/dbraw/zinc/48/35/17/732483517.db2.gz DWEAWOWAGJSEII-BXUZGUMPSA-N 1 1 325.376 0.152 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)c2cnn(CCCOC)c2)CC1 ZINC001098526420 732523170 /nfs/dbraw/zinc/52/31/70/732523170.db2.gz JBDGYGXZVNIMNJ-UHFFFAOYSA-N 1 1 348.447 0.452 20 30 ECEDMO C#CCN1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193781 732624754 /nfs/dbraw/zinc/62/47/54/732624754.db2.gz IABKCDQQAVXPQA-HDMKZQKVSA-N 1 1 337.439 0.744 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)COCCCOC)CC1 ZINC001098527348 732733762 /nfs/dbraw/zinc/73/37/62/732733762.db2.gz ZGVLYJHXNVMNBB-UHFFFAOYSA-N 1 1 326.437 0.348 20 30 ECEDMO C=CCn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nncn2C)nn1 ZINC001025107385 738661535 /nfs/dbraw/zinc/66/15/35/738661535.db2.gz FYEZZNLZRLFASD-CYBMUJFWSA-N 1 1 344.423 0.377 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)CC1 ZINC001039114382 732960563 /nfs/dbraw/zinc/96/05/63/732960563.db2.gz ZCEHVHFFNKJGMG-ZFWWWQNUSA-N 1 1 341.477 0.751 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)C[C@@H](C)N2CCCC2=O)CC1 ZINC001098530809 733027408 /nfs/dbraw/zinc/02/74/08/733027408.db2.gz OJTFRWPSWBDQHR-MRXNPFEDSA-N 1 1 349.475 0.696 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1cc(C)ncn1 ZINC001125327628 733049117 /nfs/dbraw/zinc/04/91/17/733049117.db2.gz WINWBCPIMQKZNI-HOTGVXAUSA-N 1 1 345.447 0.138 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1cc(C)ncn1 ZINC001125327628 733049121 /nfs/dbraw/zinc/04/91/21/733049121.db2.gz WINWBCPIMQKZNI-HOTGVXAUSA-N 1 1 345.447 0.138 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001098532770 733051210 /nfs/dbraw/zinc/05/12/10/733051210.db2.gz DIIKEAJLPZDMOF-UHFFFAOYSA-N 1 1 332.448 0.996 20 30 ECEDMO C#CCC[N@@H+](CCO)C1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001098532770 733051213 /nfs/dbraw/zinc/05/12/13/733051213.db2.gz DIIKEAJLPZDMOF-UHFFFAOYSA-N 1 1 332.448 0.996 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 ZINC001041838842 782316268 /nfs/dbraw/zinc/31/62/68/782316268.db2.gz FTOQSCRBFOCYLB-AEFFLSMTSA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2c(OC)cc[nH]c2=O)CC1 ZINC001098534992 733112232 /nfs/dbraw/zinc/11/22/32/733112232.db2.gz RLIHYYJSLJYFCG-UHFFFAOYSA-N 1 1 347.415 0.718 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000973089885 738687084 /nfs/dbraw/zinc/68/70/84/738687084.db2.gz CMKPDJKDZIKTAV-VGWMRTNUSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000973089885 738687085 /nfs/dbraw/zinc/68/70/85/738687085.db2.gz CMKPDJKDZIKTAV-VGWMRTNUSA-N 1 1 333.432 0.274 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cn(C(C)C)nn3)C2)nn1 ZINC000970206166 733199879 /nfs/dbraw/zinc/19/98/79/733199879.db2.gz QATHWTXYEIDDPY-CYBMUJFWSA-N 1 1 344.423 0.641 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000970278260 733296080 /nfs/dbraw/zinc/29/60/80/733296080.db2.gz UUELNIOUEZTRGU-YOEHRIQHSA-N 1 1 340.427 0.498 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)CCCC(=O)N(C)C)CC1 ZINC001098536586 733355172 /nfs/dbraw/zinc/35/51/72/733355172.db2.gz NHZJZABRKKEYAC-UHFFFAOYSA-N 1 1 325.453 0.716 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N(C)C3CC3)C2)c1 ZINC000970397257 733464226 /nfs/dbraw/zinc/46/42/26/733464226.db2.gz CBPRHFGDHBEVNR-ZDUSSCGKSA-N 1 1 340.427 0.734 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N(C)C3CC3)C2)nn1 ZINC000970544342 733661230 /nfs/dbraw/zinc/66/12/30/733661230.db2.gz KKOYKKUXWFIQSK-LBPRGKRZSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3cn(C)nc3C)C2)nn1 ZINC000970548830 733665863 /nfs/dbraw/zinc/66/58/63/733665863.db2.gz SIRNAEDCOLGFOV-GFCCVEGCSA-N 1 1 343.435 0.756 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+]([C@H](C)C(=O)N(C)C)C2)nn1 ZINC000970562844 733677565 /nfs/dbraw/zinc/67/75/65/733677565.db2.gz LSFKDBZDVUFHKN-CHWSQXEVSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCOC(C)C)C[C@H]32)nn1 ZINC001114942213 733710563 /nfs/dbraw/zinc/71/05/63/733710563.db2.gz JVJCLUWGUNXHPU-FOLVSLTJSA-N 1 1 333.436 0.939 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC000970601116 733724502 /nfs/dbraw/zinc/72/45/02/733724502.db2.gz VQCHSWPHJYWPOR-XHDPSFHLSA-N 1 1 345.447 0.864 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3oncc3C)C2)C1=O ZINC000970680648 733817556 /nfs/dbraw/zinc/81/75/56/733817556.db2.gz AVNPMCDVVLKZFK-TZMCWYRMSA-N 1 1 332.404 0.820 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H](C)C1C[NH+]([C@@H](CC)C(N)=O)C1 ZINC000970753283 733909511 /nfs/dbraw/zinc/90/95/11/733909511.db2.gz HLBRZPZLKDHIQR-DOMZBBRYSA-N 1 1 344.415 0.408 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)[C@H]2C1 ZINC001083209026 734117056 /nfs/dbraw/zinc/11/70/56/734117056.db2.gz MTFIKFDVNUTJIC-OWCLPIDISA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)[C@H]2C1 ZINC001083209026 734117058 /nfs/dbraw/zinc/11/70/58/734117058.db2.gz MTFIKFDVNUTJIC-OWCLPIDISA-N 1 1 333.432 0.180 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104318074 734276486 /nfs/dbraw/zinc/27/64/86/734276486.db2.gz AHOZSQZANHSFFQ-HNNXBMFYSA-N 1 1 340.387 0.480 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cc(CC)n[nH]3)C2)C1=O ZINC000971117135 734279930 /nfs/dbraw/zinc/27/99/30/734279930.db2.gz NTXYKEXCECXUHW-GDBMZVCRSA-N 1 1 345.447 0.905 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000971117135 734279934 /nfs/dbraw/zinc/27/99/34/734279934.db2.gz NTXYKEXCECXUHW-GDBMZVCRSA-N 1 1 345.447 0.905 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cc(CC)[nH]n3)C2)C1=O ZINC000971117135 734279936 /nfs/dbraw/zinc/27/99/36/734279936.db2.gz NTXYKEXCECXUHW-GDBMZVCRSA-N 1 1 345.447 0.905 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(c3cnc(C#N)cn3)CCO2)C1 ZINC001104322056 734298475 /nfs/dbraw/zinc/29/84/75/734298475.db2.gz UUAVGJHWVQEDMY-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 ZINC001111585115 734329247 /nfs/dbraw/zinc/32/92/47/734329247.db2.gz FWJJAIWERHYQAL-GWCFXTLKSA-N 1 1 345.241 0.534 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 ZINC001111585115 734329248 /nfs/dbraw/zinc/32/92/48/734329248.db2.gz FWJJAIWERHYQAL-GWCFXTLKSA-N 1 1 345.241 0.534 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cc(C)cn3)C2)C1=O ZINC000971163147 734330228 /nfs/dbraw/zinc/33/02/28/734330228.db2.gz SYGFWAABMQXWKE-CVEARBPZSA-N 1 1 345.447 0.511 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2ncc(C#N)cc2F)CCO1 ZINC001104329089 734349776 /nfs/dbraw/zinc/34/97/76/734349776.db2.gz VDZFLXZXMWMNKO-CQSZACIVSA-N 1 1 349.410 0.756 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCS(N)(=O)=O)C1 ZINC001211508850 734362111 /nfs/dbraw/zinc/36/21/11/734362111.db2.gz LTOYDFMWROPGSJ-ZIAGYGMSSA-N 1 1 329.466 0.295 20 30 ECEDMO Cc1cc(NCCN(CCO)C(=O)C[C@H]2CC[N@H+](C)C2)c(C#N)cn1 ZINC001111489249 734407261 /nfs/dbraw/zinc/40/72/61/734407261.db2.gz PMTPGKZQEOXLQZ-OAHLLOKOSA-N 1 1 345.447 0.258 20 30 ECEDMO C=C(Br)CN(C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971271179 734413581 /nfs/dbraw/zinc/41/35/81/734413581.db2.gz KWJYWPAHEANOFH-QWHCGFSZSA-N 1 1 346.269 0.758 20 30 ECEDMO C=C(Br)CN(C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971271179 734413582 /nfs/dbraw/zinc/41/35/82/734413582.db2.gz KWJYWPAHEANOFH-QWHCGFSZSA-N 1 1 346.269 0.758 20 30 ECEDMO Cc1ccc(C#N)c(NCCN(CCO)C(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001111489349 734414229 /nfs/dbraw/zinc/41/42/29/734414229.db2.gz UPJDZVLCGYWFHB-HNNXBMFYSA-N 1 1 345.447 0.836 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3nnc[nH]3)C2)C1=O ZINC000971302202 734431975 /nfs/dbraw/zinc/43/19/75/734431975.db2.gz ULQYMWDKBDZKLQ-KBPBESRZSA-N 1 1 346.435 0.057 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC000971334192 734452687 /nfs/dbraw/zinc/45/26/87/734452687.db2.gz MUSMWQBATRKBLC-LSDHHAIUSA-N 1 1 344.415 0.720 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3ccn(C)c3)C2)C1=O ZINC000971339728 734457743 /nfs/dbraw/zinc/45/77/43/734457743.db2.gz HUIZIPDHQOHNMO-CVEARBPZSA-N 1 1 330.432 0.958 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cn(C)cn3)C2)C1=O ZINC000971342541 734458810 /nfs/dbraw/zinc/45/88/10/734458810.db2.gz CPJXJQUCFCHMJN-ZFWWWQNUSA-N 1 1 331.420 0.353 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001025216293 738816480 /nfs/dbraw/zinc/81/64/80/738816480.db2.gz HCYODBVZUFJOFL-BYNSBNAKSA-N 1 1 337.464 0.617 20 30 ECEDMO C[N@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363682 734476048 /nfs/dbraw/zinc/47/60/48/734476048.db2.gz CAYXWDIAZZIBDC-CQSZACIVSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363682 734476050 /nfs/dbraw/zinc/47/60/50/734476050.db2.gz CAYXWDIAZZIBDC-CQSZACIVSA-N 1 1 329.404 0.655 20 30 ECEDMO Cn1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)cc1=O ZINC000971365734 734476765 /nfs/dbraw/zinc/47/67/65/734476765.db2.gz GNKBBGBRAZBVHP-HNNXBMFYSA-N 1 1 339.399 0.932 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000973143525 738822124 /nfs/dbraw/zinc/82/21/24/738822124.db2.gz ULSXEBAVRQPGFV-JQVOGXOBSA-N 1 1 329.444 0.894 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000973143525 738822127 /nfs/dbraw/zinc/82/21/27/738822127.db2.gz ULSXEBAVRQPGFV-JQVOGXOBSA-N 1 1 329.444 0.894 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3ccc(C#N)cn3)CCO2)C1 ZINC001104349454 734519347 /nfs/dbraw/zinc/51/93/47/734519347.db2.gz GQPNXLAGNQJOLD-ZBFHGGJFSA-N 1 1 343.431 0.616 20 30 ECEDMO N#Cc1ccc(N2CCO[C@@H](CNC(=O)Cc3cnc[nH]3)C2)nc1 ZINC001104350147 734523916 /nfs/dbraw/zinc/52/39/16/734523916.db2.gz POKMCNMXKNTBMT-AWEZNQCLSA-N 1 1 326.360 0.240 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973151803 738832074 /nfs/dbraw/zinc/83/20/74/738832074.db2.gz XKGMPJFYLNLCPE-DZKIICNBSA-N 1 1 339.399 0.361 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973151803 738832075 /nfs/dbraw/zinc/83/20/75/738832075.db2.gz XKGMPJFYLNLCPE-DZKIICNBSA-N 1 1 339.399 0.361 20 30 ECEDMO COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001149167973 734861751 /nfs/dbraw/zinc/86/17/51/734861751.db2.gz LVPHULISKMIJPX-INIZCTEOSA-N 1 1 333.432 0.804 20 30 ECEDMO COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001149167973 734861755 /nfs/dbraw/zinc/86/17/55/734861755.db2.gz LVPHULISKMIJPX-INIZCTEOSA-N 1 1 333.432 0.804 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183482 782447108 /nfs/dbraw/zinc/44/71/08/782447108.db2.gz SVBLAMOCLWMWND-VXGBXAGGSA-N 1 1 343.225 0.261 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cnc(C)o3)C2)C1=O ZINC000971670803 734936382 /nfs/dbraw/zinc/93/63/82/734936382.db2.gz LTTZRIDRSNSPRD-HOCLYGCPSA-N 1 1 346.431 0.845 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2noc(CC)n2)C1 ZINC000971703327 734964301 /nfs/dbraw/zinc/96/43/01/734964301.db2.gz DMVIBZURPUXLGW-CABCVRRESA-N 1 1 345.447 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2noc(CC)n2)C1 ZINC000971703327 734964307 /nfs/dbraw/zinc/96/43/07/734964307.db2.gz DMVIBZURPUXLGW-CABCVRRESA-N 1 1 345.447 0.762 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)[nH]1 ZINC000973180601 738872023 /nfs/dbraw/zinc/87/20/23/738872023.db2.gz HAZFTKZFSJRBCV-DEYYWGMASA-N 1 1 341.415 0.749 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(NC(C)=O)c3)[C@H]2C1 ZINC001083226544 735146485 /nfs/dbraw/zinc/14/64/85/735146485.db2.gz KXPDMGHJFSXVAG-LSDHHAIUSA-N 1 1 330.388 0.751 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(NC(C)=O)c3)[C@H]2C1 ZINC001083226544 735146490 /nfs/dbraw/zinc/14/64/90/735146490.db2.gz KXPDMGHJFSXVAG-LSDHHAIUSA-N 1 1 330.388 0.751 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2csnc2C)C1 ZINC000973192857 738883828 /nfs/dbraw/zinc/88/38/28/738883828.db2.gz RHCCIINOZNDQQW-YDHLFZDLSA-N 1 1 346.456 0.926 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2csnc2C)C1 ZINC000973192857 738883835 /nfs/dbraw/zinc/88/38/35/738883835.db2.gz RHCCIINOZNDQQW-YDHLFZDLSA-N 1 1 346.456 0.926 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)Nc2ccc(C#N)nc2)C1 ZINC001098215142 735219515 /nfs/dbraw/zinc/21/95/15/735219515.db2.gz HFSGMOBCFWELLG-BBRMVZONSA-N 1 1 331.420 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]nc3C)C2)C1=O ZINC000972053855 735584105 /nfs/dbraw/zinc/58/41/05/735584105.db2.gz WKLWVACWSFXIST-DZGCQCFKSA-N 1 1 331.420 0.651 20 30 ECEDMO CN1C[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)NC1=O ZINC000972084240 735625093 /nfs/dbraw/zinc/62/50/93/735625093.db2.gz BDKGLVTXZDIZIL-RISCZKNCSA-N 1 1 347.444 0.676 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC)N2CCCC2=O)CC1 ZINC001098563999 735663134 /nfs/dbraw/zinc/66/31/34/735663134.db2.gz IVKWODMFJHSTSG-MRXNPFEDSA-N 1 1 337.464 0.859 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001041962914 782500788 /nfs/dbraw/zinc/50/07/88/782500788.db2.gz AZOBDBUDQSHODV-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001041962958 782501143 /nfs/dbraw/zinc/50/11/43/782501143.db2.gz CBRGWHWKSFCMKF-HNNXBMFYSA-N 1 1 337.464 0.905 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCCN(C)C3=O)C2)c1 ZINC000972284458 735888967 /nfs/dbraw/zinc/88/89/67/735888967.db2.gz JWISTWNGSVVPFN-IRXDYDNUSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCN(CC)C3=O)C2)c1 ZINC000972293096 735900892 /nfs/dbraw/zinc/90/08/92/735900892.db2.gz ZZCBDEJBIYFJBU-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@H]2CCOC2)CCO3)c[nH]1 ZINC000972354087 735995926 /nfs/dbraw/zinc/99/59/26/735995926.db2.gz WXCVKWDWJUHPMF-KDOFPFPSSA-N 1 1 344.415 0.840 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC000972361529 736015162 /nfs/dbraw/zinc/01/51/62/736015162.db2.gz GBNRKHRFNNNAQC-CABCVRRESA-N 1 1 345.447 0.960 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCCC2)C1 ZINC000972373501 736037526 /nfs/dbraw/zinc/03/75/26/736037526.db2.gz MBRFOXHIBFWCEZ-XHSDSOJGSA-N 1 1 335.448 0.733 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCCC2)C1 ZINC000972373501 736037532 /nfs/dbraw/zinc/03/75/32/736037532.db2.gz MBRFOXHIBFWCEZ-XHSDSOJGSA-N 1 1 335.448 0.733 20 30 ECEDMO Cn1nccc1CC[N@@H+]1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972380570 736049345 /nfs/dbraw/zinc/04/93/45/736049345.db2.gz IUVDVYWWJGJYOZ-LJQANCHMSA-N 1 1 342.443 0.679 20 30 ECEDMO Cn1nccc1CC[N@H+]1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972380570 736049351 /nfs/dbraw/zinc/04/93/51/736049351.db2.gz IUVDVYWWJGJYOZ-LJQANCHMSA-N 1 1 342.443 0.679 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4ccc(C)nc34)[C@H]2C1 ZINC001083251028 736088786 /nfs/dbraw/zinc/08/87/86/736088786.db2.gz XFGNODWBDHPSMA-LSDHHAIUSA-N 1 1 327.388 0.749 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4ccc(C)nc34)[C@H]2C1 ZINC001083251028 736088790 /nfs/dbraw/zinc/08/87/90/736088790.db2.gz XFGNODWBDHPSMA-LSDHHAIUSA-N 1 1 327.388 0.749 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4[nH]cnc43)C2)C1 ZINC000972400618 736124414 /nfs/dbraw/zinc/12/44/14/736124414.db2.gz ZCKQBJRCZCMHSS-SFHVURJKSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4[nH]cnc43)C2)C1 ZINC000972400618 736124421 /nfs/dbraw/zinc/12/44/21/736124421.db2.gz ZCKQBJRCZCMHSS-SFHVURJKSA-N 1 1 339.399 0.898 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 ZINC000972408407 736144613 /nfs/dbraw/zinc/14/46/13/736144613.db2.gz NZMAMILVUDKZPZ-GOSISDBHSA-N 1 1 328.416 0.770 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 ZINC000972408407 736144614 /nfs/dbraw/zinc/14/46/14/736144614.db2.gz NZMAMILVUDKZPZ-GOSISDBHSA-N 1 1 328.416 0.770 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]32)nc1 ZINC001083251995 736166035 /nfs/dbraw/zinc/16/60/35/736166035.db2.gz ROQFQTCPNSKGRA-BPQIPLTHSA-N 1 1 341.411 0.625 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)C1 ZINC000972422088 736166816 /nfs/dbraw/zinc/16/68/16/736166816.db2.gz MCXPBLOTJGBADB-IIDMSEBBSA-N 1 1 328.416 0.840 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)C1 ZINC000972422088 736166820 /nfs/dbraw/zinc/16/68/20/736166820.db2.gz MCXPBLOTJGBADB-IIDMSEBBSA-N 1 1 328.416 0.840 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001078219792 782511906 /nfs/dbraw/zinc/51/19/06/782511906.db2.gz NFRHPCISMITYIR-OWCLPIDISA-N 1 1 337.464 0.905 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001098571501 736176809 /nfs/dbraw/zinc/17/68/09/736176809.db2.gz RZADPJYBAWYCGG-HNNXBMFYSA-N 1 1 345.447 0.149 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)N2CCCCC2=O)CC1 ZINC001098571647 736187717 /nfs/dbraw/zinc/18/77/17/736187717.db2.gz TVJCVXNWBNUKQE-OAHLLOKOSA-N 1 1 337.464 0.859 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972436787 736189787 /nfs/dbraw/zinc/18/97/87/736189787.db2.gz DSOLNIPDNJDITJ-QAPCUYQASA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972436787 736189789 /nfs/dbraw/zinc/18/97/89/736189789.db2.gz DSOLNIPDNJDITJ-QAPCUYQASA-N 1 1 333.432 0.181 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCn4cncc4C3)C2)C1 ZINC000972439041 736196499 /nfs/dbraw/zinc/19/64/99/736196499.db2.gz SYJPZFNYCXVJNJ-QFBILLFUSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCn4cncc4C3)C2)C1 ZINC000972439041 736196501 /nfs/dbraw/zinc/19/65/01/736196501.db2.gz SYJPZFNYCXVJNJ-QFBILLFUSA-N 1 1 342.443 0.772 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(C)c3)C2)C1 ZINC000972448706 736228093 /nfs/dbraw/zinc/22/80/93/736228093.db2.gz BZXRASDEPZRBTA-SFHVURJKSA-N 1 1 331.416 0.878 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000972449862 736229655 /nfs/dbraw/zinc/22/96/55/736229655.db2.gz AVIURKIFDGCIQX-BZUAXINKSA-N 1 1 349.475 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000972449862 736229657 /nfs/dbraw/zinc/22/96/57/736229657.db2.gz AVIURKIFDGCIQX-BZUAXINKSA-N 1 1 349.475 0.979 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001022953434 736312030 /nfs/dbraw/zinc/31/20/30/736312030.db2.gz PUYQTJUKAPFWPV-OKILXGFUSA-N 1 1 328.351 0.795 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@@H](C)O)CCO3)cc1 ZINC000972491956 736374328 /nfs/dbraw/zinc/37/43/28/736374328.db2.gz GLQXZFACUHSHIE-DNVCBOLYSA-N 1 1 328.412 0.966 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@@H](C)O)CCO3)cc1 ZINC000972491956 736374333 /nfs/dbraw/zinc/37/43/33/736374333.db2.gz GLQXZFACUHSHIE-DNVCBOLYSA-N 1 1 328.412 0.966 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972492516 736380536 /nfs/dbraw/zinc/38/05/36/736380536.db2.gz MYKNYECZNIQRSO-MAUKXSAKSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972492516 736380539 /nfs/dbraw/zinc/38/05/39/736380539.db2.gz MYKNYECZNIQRSO-MAUKXSAKSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972493130 736386183 /nfs/dbraw/zinc/38/61/83/736386183.db2.gz VWQPQCMFBYKQID-MAUKXSAKSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972493130 736386186 /nfs/dbraw/zinc/38/61/86/736386186.db2.gz VWQPQCMFBYKQID-MAUKXSAKSA-N 1 1 333.432 0.324 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001023025234 736405955 /nfs/dbraw/zinc/40/59/55/736405955.db2.gz BCNDEWCQARRJER-VBNZEHGJSA-N 1 1 338.415 0.732 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513499 736509401 /nfs/dbraw/zinc/50/94/01/736509401.db2.gz HNRZOSNVEVMIEX-MSOLQXFVSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513499 736509404 /nfs/dbraw/zinc/50/94/04/736509404.db2.gz HNRZOSNVEVMIEX-MSOLQXFVSA-N 1 1 335.448 0.782 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCC(=O)N3)[C@H]2C1 ZINC001083259460 736645303 /nfs/dbraw/zinc/64/53/03/736645303.db2.gz BTGKXTNGGORPPC-HRCADAONSA-N 1 1 333.432 0.370 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001023319080 736679066 /nfs/dbraw/zinc/67/90/66/736679066.db2.gz TVTZQPNBRPWPMP-FZMZJTMJSA-N 1 1 343.387 0.133 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)c[nH]1 ZINC001023319996 736680565 /nfs/dbraw/zinc/68/05/65/736680565.db2.gz MWSCUFWQDSEQMS-BXUZGUMPSA-N 1 1 343.387 0.133 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)C3=CCOCC3)C2)C1=O ZINC001023327776 736687531 /nfs/dbraw/zinc/68/75/31/736687531.db2.gz HUPXJBHRVYPKJV-WBVHZDCISA-N 1 1 347.459 0.948 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001023365433 736738747 /nfs/dbraw/zinc/73/87/47/736738747.db2.gz CYSDCKKXJMOMSS-ZIAGYGMSSA-N 1 1 329.404 0.224 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023372256 736751862 /nfs/dbraw/zinc/75/18/62/736751862.db2.gz PRSHHFWTXCTVNR-MRXNPFEDSA-N 1 1 331.464 0.910 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001023424376 736813329 /nfs/dbraw/zinc/81/33/29/736813329.db2.gz WJSYYGYMXCWZEF-WBVHZDCISA-N 1 1 344.463 0.241 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001023424376 736813331 /nfs/dbraw/zinc/81/33/31/736813331.db2.gz WJSYYGYMXCWZEF-WBVHZDCISA-N 1 1 344.463 0.241 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001023510836 736936114 /nfs/dbraw/zinc/93/61/14/736936114.db2.gz SGHNYQXBGXMXJC-ZDUSSCGKSA-N 1 1 327.392 0.685 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001023511222 736937009 /nfs/dbraw/zinc/93/70/09/736937009.db2.gz YPKXRQHRHLCXLZ-AWEZNQCLSA-N 1 1 339.403 0.522 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3[nH]nnc3C)C2)C1=O ZINC001023524239 736959730 /nfs/dbraw/zinc/95/97/30/736959730.db2.gz ZMNKFAKLZSJUAK-KBPBESRZSA-N 1 1 346.435 0.342 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3ncccn3)C2)C1=O ZINC000972588316 736991193 /nfs/dbraw/zinc/99/11/93/736991193.db2.gz AEYJARBBYNYXHD-ZIAGYGMSSA-N 1 1 329.404 0.410 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CCC([N@H+](CCO)C[C@@H](C)OC)CC1 ZINC001098577842 737007877 /nfs/dbraw/zinc/00/78/77/737007877.db2.gz SHAUPZXBFAUENN-CABCVRRESA-N 1 1 328.453 0.898 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001023584024 737036415 /nfs/dbraw/zinc/03/64/15/737036415.db2.gz UFLYICUFSUDAHX-OAHLLOKOSA-N 1 1 340.427 0.783 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001023605966 737066176 /nfs/dbraw/zinc/06/61/76/737066176.db2.gz NUILXVIBAJHWGC-HUUCEWRRSA-N 1 1 330.436 0.477 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001023639400 737127360 /nfs/dbraw/zinc/12/73/60/737127360.db2.gz HQUHGXBSKHIJDK-QWHCGFSZSA-N 1 1 334.424 0.170 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001023701088 737211326 /nfs/dbraw/zinc/21/13/26/737211326.db2.gz LOCLDHWVZCDBDA-AWEZNQCLSA-N 1 1 326.404 0.898 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001023700002 737218330 /nfs/dbraw/zinc/21/83/30/737218330.db2.gz AGDAFLHYMQHUEG-ZDUSSCGKSA-N 1 1 344.419 0.826 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001023894793 737470805 /nfs/dbraw/zinc/47/08/05/737470805.db2.gz GTFPOBMKMPMADF-STQMWFEESA-N 1 1 333.440 0.916 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nn(CC)nc3C)C2)C1 ZINC000972701550 737471618 /nfs/dbraw/zinc/47/16/18/737471618.db2.gz CSTRNJGIVQGYLG-KRWDZBQOSA-N 1 1 331.420 0.547 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nn(CC)nc3C)C2)C1 ZINC000972701550 737471620 /nfs/dbraw/zinc/47/16/20/737471620.db2.gz CSTRNJGIVQGYLG-KRWDZBQOSA-N 1 1 331.420 0.547 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972704404 737498553 /nfs/dbraw/zinc/49/85/53/737498553.db2.gz HYJMLEDZXKJTCZ-KRWDZBQOSA-N 1 1 333.436 0.627 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972708910 737521537 /nfs/dbraw/zinc/52/15/37/737521537.db2.gz XWCUIWBSAIJXAZ-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972708910 737521542 /nfs/dbraw/zinc/52/15/42/737521542.db2.gz XWCUIWBSAIJXAZ-SFHVURJKSA-N 1 1 344.415 0.674 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCCC3=O)C2)cn1 ZINC000972756249 737597458 /nfs/dbraw/zinc/59/74/58/737597458.db2.gz KIWRJOVBWCFATQ-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)cn1 ZINC000972756724 737598174 /nfs/dbraw/zinc/59/81/74/737598174.db2.gz OHBYIPJHILODDE-INIZCTEOSA-N 1 1 326.400 0.442 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)cn1 ZINC000972756724 737598176 /nfs/dbraw/zinc/59/81/76/737598176.db2.gz OHBYIPJHILODDE-INIZCTEOSA-N 1 1 326.400 0.442 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCC(=O)NC3=O)C2)cn1 ZINC000972757326 737598581 /nfs/dbraw/zinc/59/85/81/737598581.db2.gz YSHMQUUZJBMZDW-CABCVRRESA-N 1 1 340.383 0.014 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cnn(C)c3)C(C)(C)C2)C1=O ZINC000972799680 737689437 /nfs/dbraw/zinc/68/94/37/737689437.db2.gz JFPGOFCSYPITJW-LSDHHAIUSA-N 1 1 345.447 0.647 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cnn(C)c3)C(C)(C)C2)C1=O ZINC000972799680 737689442 /nfs/dbraw/zinc/68/94/42/737689442.db2.gz JFPGOFCSYPITJW-LSDHHAIUSA-N 1 1 345.447 0.647 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](C[NH2+]Cc3nnn(C)n3)C2)cc1 ZINC001024089278 737689652 /nfs/dbraw/zinc/68/96/52/737689652.db2.gz PWUKQTZHKYEMLL-OAHLLOKOSA-N 1 1 338.415 0.833 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)COC[C@@H]2CCCO2)CC1 ZINC001098584310 737713874 /nfs/dbraw/zinc/71/38/74/737713874.db2.gz SQNSMZFQTQMXBN-INIZCTEOSA-N 1 1 326.437 0.653 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001024268484 737864517 /nfs/dbraw/zinc/86/45/17/737864517.db2.gz VUXWSXKEOVPKJR-SJORKVTESA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)CN3CCCC3)C2)C1=O ZINC001024268481 737864827 /nfs/dbraw/zinc/86/48/27/737864827.db2.gz VUXWSXKEOVPKJR-DLBZAZTESA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC001024321650 737889891 /nfs/dbraw/zinc/88/98/91/737889891.db2.gz IZFJTGICZMSVTF-JKSUJKDBSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnn(C)c2)C1=O ZINC001024321650 737889897 /nfs/dbraw/zinc/88/98/97/737889897.db2.gz IZFJTGICZMSVTF-JKSUJKDBSA-N 1 1 345.447 0.791 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCn2cncn2)[nH]1 ZINC001024395534 737938810 /nfs/dbraw/zinc/93/88/10/737938810.db2.gz BUXFLESKUFTWMA-CQSZACIVSA-N 1 1 327.392 0.762 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC1 ZINC001024486627 738013808 /nfs/dbraw/zinc/01/38/08/738013808.db2.gz DINHSBWYCXDNRR-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC1 ZINC001024486627 738013813 /nfs/dbraw/zinc/01/38/13/738013813.db2.gz DINHSBWYCXDNRR-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC(=O)N1CCC1 ZINC001024486627 738013816 /nfs/dbraw/zinc/01/38/16/738013816.db2.gz DINHSBWYCXDNRR-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC(=O)N1CCC1 ZINC001024486627 738013819 /nfs/dbraw/zinc/01/38/19/738013819.db2.gz DINHSBWYCXDNRR-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 ZINC001098586641 738017996 /nfs/dbraw/zinc/01/79/96/738017996.db2.gz KOCPNADXJUAVRI-INIZCTEOSA-N 1 1 337.464 0.016 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001039761092 738038235 /nfs/dbraw/zinc/03/82/35/738038235.db2.gz YROQIFGMDWQKMS-KDOFPFPSSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001024511720 738042802 /nfs/dbraw/zinc/04/28/02/738042802.db2.gz KYQMZSPXDVMUEE-GFCCVEGCSA-N 1 1 325.390 0.145 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001024511720 738042805 /nfs/dbraw/zinc/04/28/05/738042805.db2.gz KYQMZSPXDVMUEE-GFCCVEGCSA-N 1 1 325.390 0.145 20 30 ECEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001024531217 738067540 /nfs/dbraw/zinc/06/75/40/738067540.db2.gz OURLJKSQWYBFDB-NSHDSACASA-N 1 1 327.406 0.697 20 30 ECEDMO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1 ZINC001098587258 738080125 /nfs/dbraw/zinc/08/01/25/738080125.db2.gz YHNJXIWCINWFES-INIZCTEOSA-N 1 1 339.480 0.995 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CN3CCCCCC3=O)[C@H]2C1 ZINC001083269700 738162564 /nfs/dbraw/zinc/16/25/64/738162564.db2.gz QRZNZGMLLPXTLB-JKSUJKDBSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C3CCN(C(C)=O)CC3)[C@H]2C1 ZINC001083269552 738163566 /nfs/dbraw/zinc/16/35/66/738163566.db2.gz JOTOWQORHYBQGR-DLBZAZTESA-N 1 1 335.448 0.733 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001024704876 738231678 /nfs/dbraw/zinc/23/16/78/738231678.db2.gz SIQPTZHCFDPOEX-KGLIPLIRSA-N 1 1 329.466 0.567 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001024760258 738272098 /nfs/dbraw/zinc/27/20/98/738272098.db2.gz RKOSEPWYOOMRMR-LBPRGKRZSA-N 1 1 328.376 0.025 20 30 ECEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001024758971 738273743 /nfs/dbraw/zinc/27/37/43/738273743.db2.gz CCNQTQHIUDKRQN-ZDUSSCGKSA-N 1 1 344.419 0.968 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3C(=O)CCC3=O)C(C)(C)[C@H]21 ZINC001087317881 738281928 /nfs/dbraw/zinc/28/19/28/738281928.db2.gz OFAHCJUETZGULK-XWIAVFTESA-N 1 1 345.443 0.764 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN3C(=O)CNC3=O)C(C)(C)[C@H]21 ZINC001087317274 738283532 /nfs/dbraw/zinc/28/35/32/738283532.db2.gz FZRIBWINIFUXQW-KCXAZCMYSA-N 1 1 346.431 0.167 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cn(C)c(=O)n3C)C(C)(C)[C@H]21 ZINC001087319031 738287010 /nfs/dbraw/zinc/28/70/10/738287010.db2.gz HNPWODOHZDURHG-SNPRPXQTSA-N 1 1 330.432 0.576 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001024799854 738309797 /nfs/dbraw/zinc/30/97/97/738309797.db2.gz QSLIEPZYJWTBQI-HOCLYGCPSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2ccn(C)n2)C1=O ZINC001024799854 738309800 /nfs/dbraw/zinc/30/98/00/738309800.db2.gz QSLIEPZYJWTBQI-HOCLYGCPSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)Cc2ccn[nH]2)C1=O ZINC001024909530 738387770 /nfs/dbraw/zinc/38/77/70/738387770.db2.gz IOIJGTQVYOLPBW-HZPDHXFCSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1ncn(C)c1=O ZINC001025244773 738929543 /nfs/dbraw/zinc/92/95/43/738929543.db2.gz LFRINCIGGUKFQS-CABCVRRESA-N 1 1 333.436 0.613 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001025280394 739002588 /nfs/dbraw/zinc/00/25/88/739002588.db2.gz OHXYKTQZYVQIDR-GJZGRUSLSA-N 1 1 348.447 0.960 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001025281930 739004388 /nfs/dbraw/zinc/00/43/88/739004388.db2.gz XKYVPDDXOHLBTI-HZPDHXFCSA-N 1 1 330.436 0.932 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1nc(C)n(C)c1=O ZINC001025294752 739014100 /nfs/dbraw/zinc/01/41/00/739014100.db2.gz CINMNQHJEDJQJJ-CVEARBPZSA-N 1 1 347.463 0.922 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnoc2CC)C1 ZINC000973281972 739034038 /nfs/dbraw/zinc/03/40/38/739034038.db2.gz LUVQFZXFUMWLRV-YDHLFZDLSA-N 1 1 344.415 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnoc2CC)C1 ZINC000973281972 739034040 /nfs/dbraw/zinc/03/40/40/739034040.db2.gz LUVQFZXFUMWLRV-YDHLFZDLSA-N 1 1 344.415 0.712 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC000973285343 739048429 /nfs/dbraw/zinc/04/84/29/739048429.db2.gz QBBWQGDDRQBNFQ-AAVRWANBSA-N 1 1 346.435 0.039 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC000973288556 739051657 /nfs/dbraw/zinc/05/16/57/739051657.db2.gz FJBSFGSXZLZDPI-DZKIICNBSA-N 1 1 328.416 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC000973288556 739051660 /nfs/dbraw/zinc/05/16/60/739051660.db2.gz FJBSFGSXZLZDPI-DZKIICNBSA-N 1 1 328.416 0.798 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCOCCCOC)C2)nn1 ZINC001105359314 751411954 /nfs/dbraw/zinc/41/19/54/751411954.db2.gz BVAJURYLNDJLBJ-UHFFFAOYSA-N 1 1 337.424 0.380 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCC2)nn1 ZINC001028192583 751432329 /nfs/dbraw/zinc/43/23/29/751432329.db2.gz OFBJXUXWMRLEEH-AWEZNQCLSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCC2)nn1 ZINC001028192583 751432334 /nfs/dbraw/zinc/43/23/34/751432334.db2.gz OFBJXUXWMRLEEH-AWEZNQCLSA-N 1 1 346.435 0.281 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001025390089 739354303 /nfs/dbraw/zinc/35/43/03/739354303.db2.gz IGKCQYIRIRTALD-UONOGXRCSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001028196350 751446780 /nfs/dbraw/zinc/44/67/80/751446780.db2.gz JIGYTCWUFVPCSI-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001028196375 751446911 /nfs/dbraw/zinc/44/69/11/751446911.db2.gz JIGYTCWUFVPCSI-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)CC ZINC001058633009 739457992 /nfs/dbraw/zinc/45/79/92/739457992.db2.gz WSLBSYNNBOOYQM-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)CC ZINC001058633009 739457997 /nfs/dbraw/zinc/45/79/97/739457997.db2.gz WSLBSYNNBOOYQM-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccn3nnnc23)C1 ZINC001025427040 739486979 /nfs/dbraw/zinc/48/69/79/739486979.db2.gz BRHAGNWLZXWXEB-KGLIPLIRSA-N 1 1 326.404 0.978 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001078232380 782531425 /nfs/dbraw/zinc/53/14/25/782531425.db2.gz XSBIEIVGAUVRMZ-FRRDWIJNSA-N 1 1 333.354 0.198 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001025533630 739696064 /nfs/dbraw/zinc/69/60/64/739696064.db2.gz FVTURAIBIRHMCO-KGLIPLIRSA-N 1 1 330.432 0.814 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001025592457 739753336 /nfs/dbraw/zinc/75/33/36/739753336.db2.gz ORYDRYPFYKXEBL-GHMZBOCLSA-N 1 1 334.376 0.360 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)cn1 ZINC001025598873 739764479 /nfs/dbraw/zinc/76/44/79/739764479.db2.gz CETHJIUSWSBAHK-GOEBONIOSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CSC)C2)nn1 ZINC001098604501 740058975 /nfs/dbraw/zinc/05/89/75/740058975.db2.gz QNLBBNKCMFYPPT-CQSZACIVSA-N 1 1 339.465 0.707 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001070003685 790302050 /nfs/dbraw/zinc/30/20/50/790302050.db2.gz ZSUJFVZLLFSMBB-KEYYUXOJSA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070008071 790309438 /nfs/dbraw/zinc/30/94/38/790309438.db2.gz PKOZBTIZPIWMTI-CVEARBPZSA-N 1 1 344.394 0.973 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070008071 790309443 /nfs/dbraw/zinc/30/94/43/790309443.db2.gz PKOZBTIZPIWMTI-CVEARBPZSA-N 1 1 344.394 0.973 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CSC)C[C@H]1C(F)(F)F ZINC001112040078 740263051 /nfs/dbraw/zinc/26/30/51/740263051.db2.gz TXEBIYJYGZFBCU-NXEZZACHSA-N 1 1 339.383 0.631 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cn3nccc3C)CC2)C1=O ZINC000982050722 751531400 /nfs/dbraw/zinc/53/14/00/751531400.db2.gz FFFCDRMVBWHYOL-INIZCTEOSA-N 1 1 345.447 0.513 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cn3nccc3C)CC2)C1=O ZINC000982050722 751531406 /nfs/dbraw/zinc/53/14/06/751531406.db2.gz FFFCDRMVBWHYOL-INIZCTEOSA-N 1 1 345.447 0.513 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)cc1 ZINC000982056063 751537691 /nfs/dbraw/zinc/53/76/91/751537691.db2.gz WKCIAJGIVXAAIF-UHFFFAOYSA-N 1 1 341.411 0.722 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)cc1 ZINC000982056063 751537698 /nfs/dbraw/zinc/53/76/98/751537698.db2.gz WKCIAJGIVXAAIF-UHFFFAOYSA-N 1 1 341.411 0.722 20 30 ECEDMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001114945308 740385451 /nfs/dbraw/zinc/38/54/51/740385451.db2.gz MQIJTKHTGNEXQB-HWWDLCQESA-N 1 1 326.400 0.583 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C)OC2(CCN(CC#N)CC2)C1 ZINC001098607101 740438800 /nfs/dbraw/zinc/43/88/00/740438800.db2.gz YUIDUWRUISCCIP-IRXDYDNUSA-N 1 1 344.459 0.689 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C)OC2(CCN(CC#N)CC2)C1 ZINC001098607101 740438804 /nfs/dbraw/zinc/43/88/04/740438804.db2.gz YUIDUWRUISCCIP-IRXDYDNUSA-N 1 1 344.459 0.689 20 30 ECEDMO CN(C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccnc(C#N)n1 ZINC001058690613 740479506 /nfs/dbraw/zinc/47/95/06/740479506.db2.gz OSHLPRBYZSBLJQ-LSDHHAIUSA-N 1 1 342.447 0.975 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059856433 751549899 /nfs/dbraw/zinc/54/98/99/751549899.db2.gz QIAPWZZYVXQRKR-IXDOHACOSA-N 1 1 349.475 0.720 20 30 ECEDMO CC(C)C#CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059856433 751549907 /nfs/dbraw/zinc/54/99/07/751549907.db2.gz QIAPWZZYVXQRKR-IXDOHACOSA-N 1 1 349.475 0.720 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001020412458 751559754 /nfs/dbraw/zinc/55/97/54/751559754.db2.gz GYJBANQTAJOWLD-ZENOOKHLSA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973996730 740749747 /nfs/dbraw/zinc/74/97/47/740749747.db2.gz XDDIVTRVLIULBV-VNHYZAJKSA-N 1 1 329.404 0.748 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(C#N)nn1 ZINC001104862974 740754297 /nfs/dbraw/zinc/75/42/97/740754297.db2.gz VABCTZYXYRNMKE-ZFWWWQNUSA-N 1 1 326.404 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(C#N)nn1 ZINC001104862974 740754299 /nfs/dbraw/zinc/75/42/99/740754299.db2.gz VABCTZYXYRNMKE-ZFWWWQNUSA-N 1 1 326.404 0.705 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000974048365 740845404 /nfs/dbraw/zinc/84/54/04/740845404.db2.gz CZKVBKBPJVSLQD-BNOWGMLFSA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000974048456 740845491 /nfs/dbraw/zinc/84/54/91/740845491.db2.gz FRYQLGXWTHHSMX-DNVSUFBTSA-N 1 1 329.404 0.461 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CC2OCCCO2)C1 ZINC000974067204 740873347 /nfs/dbraw/zinc/87/33/47/740873347.db2.gz OPIADAHBWGLYRG-ZNMIVQPWSA-N 1 1 349.431 0.001 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CC2OCCCO2)C1 ZINC000974067204 740873352 /nfs/dbraw/zinc/87/33/52/740873352.db2.gz OPIADAHBWGLYRG-ZNMIVQPWSA-N 1 1 349.431 0.001 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nccc(C)n1 ZINC001038365723 741011898 /nfs/dbraw/zinc/01/18/98/741011898.db2.gz CECWTQAYLFDHKS-HOTGVXAUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nccc(C)n1 ZINC001038365723 741011901 /nfs/dbraw/zinc/01/19/01/741011901.db2.gz CECWTQAYLFDHKS-HOTGVXAUSA-N 1 1 327.432 0.573 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C2)C1 ZINC000982108931 751602029 /nfs/dbraw/zinc/60/20/29/751602029.db2.gz RDWDGNUTUGDWIJ-UHFFFAOYSA-N 1 1 338.415 0.981 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000982116746 751609883 /nfs/dbraw/zinc/60/98/83/751609883.db2.gz RTFXDBNQXMCNSC-CQSZACIVSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC000982116746 751609889 /nfs/dbraw/zinc/60/98/89/751609889.db2.gz RTFXDBNQXMCNSC-CQSZACIVSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC000982116746 751609896 /nfs/dbraw/zinc/60/98/96/751609896.db2.gz RTFXDBNQXMCNSC-CQSZACIVSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC000982116746 751609900 /nfs/dbraw/zinc/60/99/00/751609900.db2.gz RTFXDBNQXMCNSC-CQSZACIVSA-N 1 1 327.432 0.857 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC000982116746 751609905 /nfs/dbraw/zinc/60/99/05/751609905.db2.gz RTFXDBNQXMCNSC-CQSZACIVSA-N 1 1 327.432 0.857 20 30 ECEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC000982117088 751611579 /nfs/dbraw/zinc/61/15/79/751611579.db2.gz ZAJKYTUCJGJEOT-UHFFFAOYSA-N 1 1 342.403 0.532 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H](CC)C(N)=O)C3)nc1 ZINC000982122744 751617603 /nfs/dbraw/zinc/61/76/03/751617603.db2.gz PIYYRUKHMUEZEY-INIZCTEOSA-N 1 1 340.427 0.865 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)[C@H](C)C1 ZINC001105048170 741241956 /nfs/dbraw/zinc/24/19/56/741241956.db2.gz SFPRLFDNOWEADF-ZIAGYGMSSA-N 1 1 330.436 0.761 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C2)C1 ZINC000982123880 751618662 /nfs/dbraw/zinc/61/86/62/751618662.db2.gz QUOVUDFJSRHOEU-UHFFFAOYSA-N 1 1 337.379 0.741 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C(C)(F)F)C2)nn1 ZINC001105130247 741400030 /nfs/dbraw/zinc/40/00/30/741400030.db2.gz HWQJLTLOIGVOFF-UHFFFAOYSA-N 1 1 329.351 0.609 20 30 ECEDMO C=CCCC(=O)N1CC(n2cc(C[NH2+]CCn3cccn3)nn2)C1 ZINC001105183031 741448599 /nfs/dbraw/zinc/44/85/99/741448599.db2.gz AWVDECFLHPEBCH-UHFFFAOYSA-N 1 1 329.408 0.614 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3(C)C)C2)nn1 ZINC001105213858 741477523 /nfs/dbraw/zinc/47/75/23/741477523.db2.gz QWYILCRHRGCRQL-HNNXBMFYSA-N 1 1 333.436 1.000 20 30 ECEDMO N#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240455 741531817 /nfs/dbraw/zinc/53/18/17/741531817.db2.gz NQQXZSJOJPQCHX-UKRRQHHQSA-N 1 1 343.435 0.149 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C4CC4)nn3C)C2)nn1 ZINC001105252438 741561983 /nfs/dbraw/zinc/56/19/83/741561983.db2.gz QQMXAKVPJUMPGK-UHFFFAOYSA-N 1 1 341.419 0.862 20 30 ECEDMO C=C(C)[C@H](CC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1)OCC ZINC001105253796 741566829 /nfs/dbraw/zinc/56/68/29/741566829.db2.gz FBCULRDNPVLGJR-HNNXBMFYSA-N 1 1 337.424 0.115 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C3(F)CCOCC3)C2)nn1 ZINC001105254391 741568711 /nfs/dbraw/zinc/56/87/11/741568711.db2.gz YRGRKZRDUIUJGT-UHFFFAOYSA-N 1 1 337.399 0.846 20 30 ECEDMO C#CCC1(C(=O)N2CC(n3cc(C[NH2+]CC=C)nn3)C2)CCOCC1 ZINC001105256509 741571292 /nfs/dbraw/zinc/57/12/92/741571292.db2.gz HGFAGCALCHQGAI-UHFFFAOYSA-N 1 1 343.431 0.757 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCN(C)C3=O)C2)nn1 ZINC001105265512 741601600 /nfs/dbraw/zinc/60/16/00/741601600.db2.gz AZILWDKNPBCVSN-CYBMUJFWSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCn4nccc43)C2)nn1 ZINC001105272520 741617886 /nfs/dbraw/zinc/61/78/86/741617886.db2.gz MPISXIBYHSQHPC-HNNXBMFYSA-N 1 1 341.419 0.711 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112091858 741618767 /nfs/dbraw/zinc/61/87/67/741618767.db2.gz ZRRSUUTYSWMZKU-GIPNMCIBSA-N 1 1 337.342 0.038 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)COc3cnn(C)c3)C2)nn1 ZINC001105313788 741740590 /nfs/dbraw/zinc/74/05/90/741740590.db2.gz IKLNTLXDSNVSRB-UHFFFAOYSA-N 1 1 345.407 0.140 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001006681775 751664004 /nfs/dbraw/zinc/66/40/04/751664004.db2.gz SPMPRQLVPPEGHE-GXTWGEPZSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1=O ZINC001006681775 751664007 /nfs/dbraw/zinc/66/40/07/751664007.db2.gz SPMPRQLVPPEGHE-GXTWGEPZSA-N 1 1 345.403 0.163 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3conc3C)C2)nn1 ZINC001105317207 741751859 /nfs/dbraw/zinc/75/18/59/741751859.db2.gz NPIIZNCMANBWII-UHFFFAOYSA-N 1 1 346.391 0.564 20 30 ECEDMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470935 741776149 /nfs/dbraw/zinc/77/61/49/741776149.db2.gz DTAJCLBGEIUHKY-CQSZACIVSA-N 1 1 329.404 0.559 20 30 ECEDMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974470935 741776152 /nfs/dbraw/zinc/77/61/52/741776152.db2.gz DTAJCLBGEIUHKY-CQSZACIVSA-N 1 1 329.404 0.559 20 30 ECEDMO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974473659 741780823 /nfs/dbraw/zinc/78/08/23/741780823.db2.gz VCWMLIJFWPZDTI-UONOGXRCSA-N 1 1 329.404 0.605 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974473659 741780824 /nfs/dbraw/zinc/78/08/24/741780824.db2.gz VCWMLIJFWPZDTI-UONOGXRCSA-N 1 1 329.404 0.605 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(=O)cc3C)C2)nn1 ZINC001105325656 741802599 /nfs/dbraw/zinc/80/25/99/741802599.db2.gz VUKOQALPTNLPMK-UHFFFAOYSA-N 1 1 328.376 0.660 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cn(C)nc3Cl)C2)nn1 ZINC001105326664 741809109 /nfs/dbraw/zinc/80/91/09/741809109.db2.gz AXEFDPAJRNZXME-UHFFFAOYSA-N 1 1 349.826 0.567 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)[C@H]3CCC(=O)N3)C2)nn1 ZINC001105332120 741843716 /nfs/dbraw/zinc/84/37/16/741843716.db2.gz XMVPFASFCAUFPC-IUODEOHRSA-N 1 1 346.435 0.242 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974578509 741911182 /nfs/dbraw/zinc/91/11/82/741911182.db2.gz PWCDAZKFZGKBPN-GXTWGEPZSA-N 1 1 331.420 0.775 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 ZINC000974639620 741960443 /nfs/dbraw/zinc/96/04/43/741960443.db2.gz ITIXGDGUUGZQRI-GJZGRUSLSA-N 1 1 335.448 0.331 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000982173491 751683484 /nfs/dbraw/zinc/68/34/84/751683484.db2.gz OWWIULGJCQDOQS-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000982173491 751683487 /nfs/dbraw/zinc/68/34/87/751683487.db2.gz OWWIULGJCQDOQS-XHSDSOJGSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)C(C)(C)C1 ZINC000974665325 741980258 /nfs/dbraw/zinc/98/02/58/741980258.db2.gz OUZLJHNZQSOEKX-QWHCGFSZSA-N 1 1 332.452 0.991 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)C(C)(C)C1 ZINC000974665325 741980260 /nfs/dbraw/zinc/98/02/60/741980260.db2.gz OUZLJHNZQSOEKX-QWHCGFSZSA-N 1 1 332.452 0.991 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000974800005 742203044 /nfs/dbraw/zinc/20/30/44/742203044.db2.gz UALHWWXUUVLERB-UONOGXRCSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000974800005 742203045 /nfs/dbraw/zinc/20/30/45/742203045.db2.gz UALHWWXUUVLERB-UONOGXRCSA-N 1 1 326.462 0.661 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(CC)oc1C ZINC001114959749 742268268 /nfs/dbraw/zinc/26/82/68/742268268.db2.gz JLZIJWCUFQLFSV-KBNOKHGBSA-N 1 1 346.431 0.896 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)C(C)(C)C1 ZINC000974874521 742278761 /nfs/dbraw/zinc/27/87/61/742278761.db2.gz OFVDKOOLPOWONJ-ZIAGYGMSSA-N 1 1 343.418 0.802 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[NH2+][C@H](C)c3noc(C)n3)C2)nn1 ZINC001027110788 742597265 /nfs/dbraw/zinc/59/72/65/742597265.db2.gz RLNVDEZERJTQEB-YPMHNXCESA-N 1 1 345.407 0.968 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000975186552 742598954 /nfs/dbraw/zinc/59/89/54/742598954.db2.gz NXHRIGJPMWFMCE-HIFRSBDPSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC000975359138 742776856 /nfs/dbraw/zinc/77/68/56/742776856.db2.gz DOIWWYCUXJNZGF-ZFWWWQNUSA-N 1 1 345.403 0.136 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC000975359138 742776859 /nfs/dbraw/zinc/77/68/59/742776859.db2.gz DOIWWYCUXJNZGF-ZFWWWQNUSA-N 1 1 345.403 0.136 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1 ZINC000982250337 751762059 /nfs/dbraw/zinc/76/20/59/751762059.db2.gz OWNUDDZPNMLOCL-LQAWEQHXSA-N 1 1 329.404 0.544 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C#N)c[nH]3)C[C@@]2(C)C1 ZINC000982250338 751762085 /nfs/dbraw/zinc/76/20/85/751762085.db2.gz OWNUDDZPNMLOCL-MZPVMMEZSA-N 1 1 329.404 0.544 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)cn1 ZINC001028935839 742916713 /nfs/dbraw/zinc/91/67/13/742916713.db2.gz MQJVAAQBGSFDOI-KGLIPLIRSA-N 1 1 328.416 0.591 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCC([NH2+]Cc2nc(CC(=O)NC)no2)CC1 ZINC000996870911 742974219 /nfs/dbraw/zinc/97/42/19/742974219.db2.gz BDLMAOAMALBHLY-UHFFFAOYSA-N 1 1 349.435 0.651 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2cnon2)C1 ZINC000975513655 743026590 /nfs/dbraw/zinc/02/65/90/743026590.db2.gz QEXFLYGYWWPJEH-HIFRSBDPSA-N 1 1 345.403 0.136 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2cnon2)C1 ZINC000975513655 743026598 /nfs/dbraw/zinc/02/65/98/743026598.db2.gz QEXFLYGYWWPJEH-HIFRSBDPSA-N 1 1 345.403 0.136 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccn(C)n3)C2)C1=O ZINC001028982205 743071712 /nfs/dbraw/zinc/07/17/12/743071712.db2.gz HADJEYIHTQNYNT-ZFWWWQNUSA-N 1 1 331.420 0.259 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)s1 ZINC001075752480 743103258 /nfs/dbraw/zinc/10/32/58/743103258.db2.gz CEOUMUJDPGHMQT-LEWSCRJBSA-N 1 1 346.412 0.761 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)s1 ZINC001075752480 743103262 /nfs/dbraw/zinc/10/32/62/743103262.db2.gz CEOUMUJDPGHMQT-LEWSCRJBSA-N 1 1 346.412 0.761 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)cc1 ZINC001075752677 743110251 /nfs/dbraw/zinc/11/02/51/743110251.db2.gz KIJLZKXWPOXBIG-HRCADAONSA-N 1 1 340.383 0.699 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(CC(=O)NC)no3)C2)C1 ZINC001020563587 751798687 /nfs/dbraw/zinc/79/86/87/751798687.db2.gz OEFRFCKRSVNGGO-HAQNSBGRSA-N 1 1 347.419 0.451 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC000975620340 743156755 /nfs/dbraw/zinc/15/67/55/743156755.db2.gz NNNWQAOHOAVSIF-BBWFWOEESA-N 1 1 329.444 0.943 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C1 ZINC000975719234 743262679 /nfs/dbraw/zinc/26/26/79/743262679.db2.gz IHWGSWOJLLTWEY-SNPRPXQTSA-N 1 1 329.404 0.801 20 30 ECEDMO C=CCCOCC(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001105381131 743445621 /nfs/dbraw/zinc/44/56/21/743445621.db2.gz OTBINRZFYRRRKW-CYBMUJFWSA-N 1 1 337.424 0.379 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC000997336986 743504499 /nfs/dbraw/zinc/50/44/99/743504499.db2.gz KIMOQUJERXSCHT-CXAGYDPISA-N 1 1 341.411 0.328 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC000997336986 743504505 /nfs/dbraw/zinc/50/45/05/743504505.db2.gz KIMOQUJERXSCHT-CXAGYDPISA-N 1 1 341.411 0.328 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@]3(COC)CCOC3)C2)nn1 ZINC001098695317 743543488 /nfs/dbraw/zinc/54/34/88/743543488.db2.gz SVEZTZDCVIJPIE-WBVHZDCISA-N 1 1 349.435 0.380 20 30 ECEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC000982278771 751850375 /nfs/dbraw/zinc/85/03/75/751850375.db2.gz RETYLQNQUGGZQO-ZOCIIQOWSA-N 1 1 343.427 0.375 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC([C@H](C)NC(=O)c3cnn[nH]3)CC2)C1=O ZINC000997658258 743734747 /nfs/dbraw/zinc/73/47/47/743734747.db2.gz OUKZWTKMFSBVEY-SWLSCSKDSA-N 1 1 346.435 0.422 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976323412 743814969 /nfs/dbraw/zinc/81/49/69/743814969.db2.gz MULLBYGDOTXTMM-UYLCMAPUSA-N 1 1 341.415 0.271 20 30 ECEDMO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)n1 ZINC001059872891 751870862 /nfs/dbraw/zinc/87/08/62/751870862.db2.gz MNOCDBYRDXNKCW-XGUBFFRZSA-N 1 1 340.431 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC000998077825 743963290 /nfs/dbraw/zinc/96/32/90/743963290.db2.gz VVQVDBCIRPKTLI-HOCLYGCPSA-N 1 1 343.431 0.702 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cn(C)cn3)C2)C1=O ZINC001027366595 744001413 /nfs/dbraw/zinc/00/14/13/744001413.db2.gz PBYBFXABWIHKSW-ZBFHGGJFSA-N 1 1 345.447 0.743 20 30 ECEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 ZINC000976518442 744031837 /nfs/dbraw/zinc/03/18/37/744031837.db2.gz RORMWSAFXFWBCO-RMRHIDDWSA-N 1 1 329.404 0.739 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC(C[NH2+]Cc3nnn(C)n3)CC2)cn1 ZINC000998229777 744064669 /nfs/dbraw/zinc/06/46/69/744064669.db2.gz KIXOUOUOGDIVBC-UHFFFAOYSA-N 1 1 339.403 0.228 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001027409627 744210670 /nfs/dbraw/zinc/21/06/70/744210670.db2.gz MLESWDUXRJYKLX-UONOGXRCSA-N 1 1 329.404 0.319 20 30 ECEDMO CCn1ncc(C[NH2+]C2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998603170 744250626 /nfs/dbraw/zinc/25/06/26/744250626.db2.gz DTXVKGHXMYHEAM-UHFFFAOYSA-N 1 1 327.392 0.891 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)nn3)[C@H]2C)C1=O ZINC001088561966 751902536 /nfs/dbraw/zinc/90/25/36/751902536.db2.gz UDOWRWDWRRFLCS-IJEWVQPXSA-N 1 1 343.431 0.765 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C)nn3)[C@H]2C)C1=O ZINC001088561966 751902541 /nfs/dbraw/zinc/90/25/41/751902541.db2.gz UDOWRWDWRRFLCS-IJEWVQPXSA-N 1 1 343.431 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](CC)OC)C[C@H]21 ZINC000976737956 744258546 /nfs/dbraw/zinc/25/85/46/744258546.db2.gz AABUFFBEQLLSQO-ZVDSWSACSA-N 1 1 333.432 0.082 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](CC)OC)C[C@H]21 ZINC000976737956 744258549 /nfs/dbraw/zinc/25/85/49/744258549.db2.gz AABUFFBEQLLSQO-ZVDSWSACSA-N 1 1 333.432 0.082 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccns3)C[C@H]21 ZINC000976736470 744261919 /nfs/dbraw/zinc/26/19/19/744261919.db2.gz MYRRAMORZSXZFH-SFDCQRBFSA-N 1 1 344.440 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccns3)C[C@H]21 ZINC000976736470 744261920 /nfs/dbraw/zinc/26/19/20/744261920.db2.gz MYRRAMORZSXZFH-SFDCQRBFSA-N 1 1 344.440 0.427 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 ZINC000976804369 744343449 /nfs/dbraw/zinc/34/34/49/744343449.db2.gz HXEWGXGQEBKYRJ-ARKGTOAJSA-N 1 1 332.448 0.839 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2nocc2C)C1=O ZINC001028248185 751913225 /nfs/dbraw/zinc/91/32/25/751913225.db2.gz GFEGKRAZTPKFOV-UONOGXRCSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2nocc2C)C1=O ZINC001028248185 751913232 /nfs/dbraw/zinc/91/32/32/751913232.db2.gz GFEGKRAZTPKFOV-UONOGXRCSA-N 1 1 332.404 0.964 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001027432339 744378197 /nfs/dbraw/zinc/37/81/97/744378197.db2.gz AMOOYIKFFOTDKJ-HNNXBMFYSA-N 1 1 329.400 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nc(C)no2)C1 ZINC000998922499 744407008 /nfs/dbraw/zinc/40/70/08/744407008.db2.gz GFADGRFJXDQMMM-NRXISQOPSA-N 1 1 331.420 0.555 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nc(C)no2)C1 ZINC000998922499 744407011 /nfs/dbraw/zinc/40/70/11/744407011.db2.gz GFADGRFJXDQMMM-NRXISQOPSA-N 1 1 331.420 0.555 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)C1 ZINC000976864449 744417832 /nfs/dbraw/zinc/41/78/32/744417832.db2.gz KCAFNGFCGFPHJF-CVGURMSBSA-N 1 1 341.415 0.415 20 30 ECEDMO CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998960705 744431661 /nfs/dbraw/zinc/43/16/61/744431661.db2.gz HRSLWBBDYWTKKF-ZDUSSCGKSA-N 1 1 327.392 0.892 20 30 ECEDMO CCCn1nnnc1C[NH2+][C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000998961409 744432245 /nfs/dbraw/zinc/43/22/45/744432245.db2.gz MSQBIRIRKXXFBG-ZDUSSCGKSA-N 1 1 342.407 0.677 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001028249512 751919452 /nfs/dbraw/zinc/91/94/52/751919452.db2.gz BZGGLVDNLSFJRZ-ZIAGYGMSSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001028249512 751919456 /nfs/dbraw/zinc/91/94/56/751919456.db2.gz BZGGLVDNLSFJRZ-ZIAGYGMSSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001028249509 751919605 /nfs/dbraw/zinc/91/96/05/751919605.db2.gz BZGGLVDNLSFJRZ-KBPBESRZSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001028249509 751919606 /nfs/dbraw/zinc/91/96/06/751919606.db2.gz BZGGLVDNLSFJRZ-KBPBESRZSA-N 1 1 344.415 0.729 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCOCC2=O)C1 ZINC001027444573 744466048 /nfs/dbraw/zinc/46/60/48/744466048.db2.gz UIHXMOGPPWZYSM-CYBMUJFWSA-N 1 1 329.828 0.521 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCOCC2=O)C1 ZINC001027444573 744466051 /nfs/dbraw/zinc/46/60/51/744466051.db2.gz UIHXMOGPPWZYSM-CYBMUJFWSA-N 1 1 329.828 0.521 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3cnn(CC)n3)C2)nn1 ZINC000999522476 744737140 /nfs/dbraw/zinc/73/71/40/744737140.db2.gz IKTVJXACOQGKGV-UHFFFAOYSA-N 1 1 344.423 0.468 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cnc3sccn3c2=O)C1 ZINC001027484131 744740568 /nfs/dbraw/zinc/74/05/68/744740568.db2.gz XVMFORCUIVAPBD-LBPRGKRZSA-N 1 1 330.413 0.926 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@H]32)c1 ZINC001041985457 782549149 /nfs/dbraw/zinc/54/91/49/782549149.db2.gz MYLHYLBFEXKTEO-CZUORRHYSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@H]32)c1 ZINC001041985457 782549158 /nfs/dbraw/zinc/54/91/58/782549158.db2.gz MYLHYLBFEXKTEO-CZUORRHYSA-N 1 1 344.390 0.996 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)nn1 ZINC000977271577 744827185 /nfs/dbraw/zinc/82/71/85/744827185.db2.gz GSMCTTUHQRZSPY-OCCSQVGLSA-N 1 1 348.451 0.381 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)CC2(C)C)nn1 ZINC000977271577 744827188 /nfs/dbraw/zinc/82/71/88/744827188.db2.gz GSMCTTUHQRZSPY-OCCSQVGLSA-N 1 1 348.451 0.381 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cccnc1 ZINC000977273715 744828692 /nfs/dbraw/zinc/82/86/92/744828692.db2.gz NOOABHFBDZYFGL-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cccnc1 ZINC000977273715 744828696 /nfs/dbraw/zinc/82/86/96/744828696.db2.gz NOOABHFBDZYFGL-SJORKVTESA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C(C)(C)C1 ZINC000977330642 744873235 /nfs/dbraw/zinc/87/32/35/744873235.db2.gz WNIVTKSQNXIIMQ-BZUAXINKSA-N 1 1 330.432 0.748 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C(C)(C)C1 ZINC000977330642 744873238 /nfs/dbraw/zinc/87/32/38/744873238.db2.gz WNIVTKSQNXIIMQ-BZUAXINKSA-N 1 1 330.432 0.748 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999846660 744939039 /nfs/dbraw/zinc/93/90/39/744939039.db2.gz DXPKURDSBXGVLU-IMJJTQAJSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001027521194 744965982 /nfs/dbraw/zinc/96/59/82/744965982.db2.gz ZRZHTOADFSPEBQ-HNNXBMFYSA-N 1 1 330.436 0.889 20 30 ECEDMO C=CC[N@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000977445509 744998616 /nfs/dbraw/zinc/99/86/16/744998616.db2.gz IBFHIRIJDWYFPJ-ZDUSSCGKSA-N 1 1 333.436 0.394 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087478056 745029411 /nfs/dbraw/zinc/02/94/11/745029411.db2.gz YJDVXZLDHDWIRO-ZFWWWQNUSA-N 1 1 347.390 0.617 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 ZINC000999937203 745070352 /nfs/dbraw/zinc/07/03/52/745070352.db2.gz GGKSFCNOOPISKI-CQSZACIVSA-N 1 1 331.376 0.053 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)nn3C)nn2)C1 ZINC000999961212 745104063 /nfs/dbraw/zinc/10/40/63/745104063.db2.gz IKGLUSURFDMGQS-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999964187 745107813 /nfs/dbraw/zinc/10/78/13/745107813.db2.gz VWYMLYMIPGCHAU-JKSUJKDBSA-N 1 1 330.436 0.259 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 ZINC000999964187 745107816 /nfs/dbraw/zinc/10/78/16/745107816.db2.gz VWYMLYMIPGCHAU-JKSUJKDBSA-N 1 1 330.436 0.259 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3snnc3C)nn2)C1 ZINC000999969889 745115887 /nfs/dbraw/zinc/11/58/87/745115887.db2.gz ZLGLUNVKEIVNLP-ZDUSSCGKSA-N 1 1 345.432 0.638 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CN(C)CCO3)nn2)C1 ZINC000999975921 745124745 /nfs/dbraw/zinc/12/47/45/745124745.db2.gz SFDXKVYICVFGPP-JKSUJKDBSA-N 1 1 348.451 0.048 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3N)nn2)C1 ZINC000999984283 745136709 /nfs/dbraw/zinc/13/67/09/745136709.db2.gz KQNMJYBTOBVXBI-ZDUSSCGKSA-N 1 1 344.423 0.347 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 ZINC000999985188 745138239 /nfs/dbraw/zinc/13/82/39/745138239.db2.gz PFIGIKPXDDFSBY-ZDUSSCGKSA-N 1 1 330.396 0.160 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3CCC)nn2)C1 ZINC000999987404 745142170 /nfs/dbraw/zinc/14/21/70/745142170.db2.gz NUVBUVNUKULXTA-SJORKVTESA-N 1 1 344.463 0.649 20 30 ECEDMO C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)nn2)C1 ZINC000999987404 745142173 /nfs/dbraw/zinc/14/21/73/745142173.db2.gz NUVBUVNUKULXTA-SJORKVTESA-N 1 1 344.463 0.649 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC(=O)N3C)nn2)C1 ZINC001000010788 745179240 /nfs/dbraw/zinc/17/92/40/745179240.db2.gz QWTULADQGUTYOH-HUUCEWRRSA-N 1 1 346.435 0.338 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(=O)cn3)nn2)C1 ZINC001000016236 745186642 /nfs/dbraw/zinc/18/66/42/745186642.db2.gz RPQFVCZRKASGFE-CYBMUJFWSA-N 1 1 343.391 0.114 20 30 ECEDMO C#Cc1cncc(C(=O)NCc2cn([C@@H]3CC[N@@H+](CCF)C3)nn2)c1 ZINC001000021796 745192871 /nfs/dbraw/zinc/19/28/71/745192871.db2.gz UJWPDXVZFVODMH-MRXNPFEDSA-N 1 1 342.378 0.801 20 30 ECEDMO C#Cc1cncc(C(=O)NCc2cn([C@@H]3CC[N@H+](CCF)C3)nn2)c1 ZINC001000021796 745192874 /nfs/dbraw/zinc/19/28/74/745192874.db2.gz UJWPDXVZFVODMH-MRXNPFEDSA-N 1 1 342.378 0.801 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncc(C#C)c3)nn2)C1 ZINC001000023381 745194494 /nfs/dbraw/zinc/19/44/94/745194494.db2.gz ZKZOERDOOXEOMG-KRWDZBQOSA-N 1 1 334.383 0.464 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nc(C)c[nH]3)nn2)C1 ZINC001000026757 745198901 /nfs/dbraw/zinc/19/89/01/745198901.db2.gz CGXRWLSXPLXNJH-CQSZACIVSA-N 1 1 327.392 0.510 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncoc3C3CC3)nn2)C1 ZINC001000031791 745206168 /nfs/dbraw/zinc/20/61/68/745206168.db2.gz ALVSOJMOGOTICN-CQSZACIVSA-N 1 1 340.387 0.954 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C)[nH]c3=O)nn2)C1 ZINC001000032428 745206754 /nfs/dbraw/zinc/20/67/54/745206754.db2.gz RDMYEROSSFZQIG-AWEZNQCLSA-N 1 1 340.387 0.497 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(OC)nn3)nn2)C1 ZINC001000032945 745207130 /nfs/dbraw/zinc/20/71/30/745207130.db2.gz FRKQDNCHQYAMCD-ZDUSSCGKSA-N 1 1 343.391 0.440 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cncnc3CC)nn2)C1 ZINC001000041408 745220281 /nfs/dbraw/zinc/22/02/81/745220281.db2.gz BPQJGIDFXJMHOV-CQSZACIVSA-N 1 1 341.419 0.993 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)nn(C)c3F)nn2)C1 ZINC001000042653 745222669 /nfs/dbraw/zinc/22/26/69/745222669.db2.gz GBDNNWDFQJNCEI-ZDUSSCGKSA-N 1 1 345.382 0.269 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)nn(C)c3F)nn2)C1 ZINC001000045914 745227492 /nfs/dbraw/zinc/22/74/92/745227492.db2.gz SAOWGJNNTWUWEO-CYBMUJFWSA-N 1 1 347.398 0.822 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000977584100 745243406 /nfs/dbraw/zinc/24/34/06/745243406.db2.gz HTXBSHVXASHRNV-LBPRGKRZSA-N 1 1 336.436 0.720 20 30 ECEDMO CN(C[C@H]1CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000977587134 745247831 /nfs/dbraw/zinc/24/78/31/745247831.db2.gz XLLQVJAKRMGYPT-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000977587118 745248152 /nfs/dbraw/zinc/24/81/52/745248152.db2.gz XLLQVJAKRMGYPT-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)C3=NC(=O)N(C)C3)C2)C1=O ZINC001000089409 745255034 /nfs/dbraw/zinc/25/50/34/745255034.db2.gz FSFNJEXDGVYDIC-QWHCGFSZSA-N 1 1 347.419 0.107 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)c3cnn(C)c3)C2)nn1 ZINC001105384961 745259494 /nfs/dbraw/zinc/25/94/94/745259494.db2.gz QUOWGVXHPBTHPY-CYBMUJFWSA-N 1 1 343.435 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1=O ZINC001075780407 745322008 /nfs/dbraw/zinc/32/20/08/745322008.db2.gz LICSQYXRHSNSAZ-YESZJQIVSA-N 1 1 327.428 0.719 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001006944096 751994374 /nfs/dbraw/zinc/99/43/74/751994374.db2.gz CRNXYROEYYGQCG-ZFWWWQNUSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001006944096 751994377 /nfs/dbraw/zinc/99/43/77/751994377.db2.gz CRNXYROEYYGQCG-ZFWWWQNUSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC001075789842 745470489 /nfs/dbraw/zinc/47/04/89/745470489.db2.gz OCFXIGWJTDPYPT-OFQRWUPVSA-N 1 1 343.431 0.871 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nonc3C)C2)nn1 ZINC001000424486 745489455 /nfs/dbraw/zinc/48/94/55/745489455.db2.gz GIGYBQJHYDTJCR-ZDUSSCGKSA-N 1 1 345.407 0.940 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC000983930198 745527154 /nfs/dbraw/zinc/52/71/54/745527154.db2.gz DASZNSRAESWQHT-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC000983930198 745527157 /nfs/dbraw/zinc/52/71/57/745527157.db2.gz DASZNSRAESWQHT-ZBFHGGJFSA-N 1 1 344.415 0.835 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnn(CC)n3)C2)nn1 ZINC001020713570 752016000 /nfs/dbraw/zinc/01/60/00/752016000.db2.gz BJZDOYHLDICELL-JOCQHMNTSA-N 1 1 344.423 0.516 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1cnc(C#N)cn1 ZINC001126517600 745636207 /nfs/dbraw/zinc/63/62/07/745636207.db2.gz HSFVYMIPCJVACF-AWEZNQCLSA-N 1 1 346.435 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccnnc1 ZINC000977916322 745642622 /nfs/dbraw/zinc/64/26/22/745642622.db2.gz FFINRSLFNYKIBW-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccnnc1 ZINC000977916322 745642626 /nfs/dbraw/zinc/64/26/26/745642626.db2.gz FFINRSLFNYKIBW-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)c1cc(C[NH+](C)C)on1 ZINC000977944123 745695089 /nfs/dbraw/zinc/69/50/89/745695089.db2.gz JERLJBXNAKRNGG-AWEZNQCLSA-N 1 1 344.415 0.823 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cncn1C ZINC000977956696 745714231 /nfs/dbraw/zinc/71/42/31/745714231.db2.gz BHOHUZBTSWOICO-GJZGRUSLSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cncn1C ZINC000977956696 745714235 /nfs/dbraw/zinc/71/42/35/745714235.db2.gz BHOHUZBTSWOICO-GJZGRUSLSA-N 1 1 343.431 0.191 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C#N)nn1 ZINC001126522979 745717471 /nfs/dbraw/zinc/71/74/71/745717471.db2.gz INWHZAFPCMPDJP-ZFWWWQNUSA-N 1 1 346.435 0.115 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)cn1 ZINC001000730227 745728821 /nfs/dbraw/zinc/72/88/21/745728821.db2.gz UKDGZGBXATWNCN-SWLSCSKDSA-N 1 1 339.403 0.542 20 30 ECEDMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC000977974242 745732788 /nfs/dbraw/zinc/73/27/88/745732788.db2.gz HVSHASZTVQAYCH-XPCVCDNBSA-N 1 1 327.388 0.025 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](CC)C(N)=O ZINC001029342453 745758182 /nfs/dbraw/zinc/75/81/82/745758182.db2.gz PPFZMTJKJXQPGQ-FZKCQIBNSA-N 1 1 332.448 0.023 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](CC)C(N)=O ZINC001029342453 745758188 /nfs/dbraw/zinc/75/81/88/745758188.db2.gz PPFZMTJKJXQPGQ-FZKCQIBNSA-N 1 1 332.448 0.023 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nncn2C)CC1 ZINC001000789725 745766513 /nfs/dbraw/zinc/76/65/13/745766513.db2.gz CLNDNSGXDJUVTA-INIZCTEOSA-N 1 1 342.447 0.161 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(Cc2nncn2C)CC1 ZINC001000789725 745766518 /nfs/dbraw/zinc/76/65/18/745766518.db2.gz CLNDNSGXDJUVTA-INIZCTEOSA-N 1 1 342.447 0.161 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNc1ccncc1C#N ZINC001111495084 745780746 /nfs/dbraw/zinc/78/07/46/745780746.db2.gz YQTMVTNFDNRNPV-UHFFFAOYSA-N 1 1 333.436 0.340 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)[nH]1 ZINC000978019371 745804554 /nfs/dbraw/zinc/80/45/54/745804554.db2.gz IYZXMQCHZVOSTD-GUIRCDHDSA-N 1 1 327.388 0.073 20 30 ECEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C(F)(F)F ZINC001112163017 745810676 /nfs/dbraw/zinc/81/06/76/745810676.db2.gz DHEJOYJHYCDKHJ-GHMZBOCLSA-N 1 1 349.328 0.464 20 30 ECEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001000928202 745907230 /nfs/dbraw/zinc/90/72/30/745907230.db2.gz UYRFTQRNOBUJED-UHFFFAOYSA-N 1 1 346.431 0.828 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C)nc2)C1 ZINC001000968076 745938634 /nfs/dbraw/zinc/93/86/34/745938634.db2.gz DLPNQCZJCZDMKS-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(C)nc2)C1 ZINC001000968076 745938636 /nfs/dbraw/zinc/93/86/36/745938636.db2.gz DLPNQCZJCZDMKS-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC001001001560 745966152 /nfs/dbraw/zinc/96/61/52/745966152.db2.gz LIAYMTHEANZZHL-AWEZNQCLSA-N 1 1 327.375 0.334 20 30 ECEDMO C=CCOCC(=O)N1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001059338132 746014299 /nfs/dbraw/zinc/01/42/99/746014299.db2.gz YKGYBODSVLPYQZ-HOTGVXAUSA-N 1 1 337.464 0.886 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028451 752053715 /nfs/dbraw/zinc/05/37/15/752053715.db2.gz IYWUCYSCCRLSES-ZBFHGGJFSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001007028451 752053723 /nfs/dbraw/zinc/05/37/23/752053723.db2.gz IYWUCYSCCRLSES-ZBFHGGJFSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncc[nH]3)[C@H]2CC)C1=O ZINC001087566251 746054723 /nfs/dbraw/zinc/05/47/23/746054723.db2.gz BKCDZHKVDGJKIR-BFHYXJOUSA-N 1 1 331.420 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ncoc2C)C1 ZINC001001107886 746083346 /nfs/dbraw/zinc/08/33/46/746083346.db2.gz MXVUOEMLRLZNOB-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ncoc2C)C1 ZINC001001107886 746083347 /nfs/dbraw/zinc/08/33/47/746083347.db2.gz MXVUOEMLRLZNOB-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC000978262193 746107992 /nfs/dbraw/zinc/10/79/92/746107992.db2.gz AQYOLUAOUKWAQM-QKDCVEJESA-N 1 1 330.432 0.670 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)[C@@H]1CC ZINC001087607021 746115598 /nfs/dbraw/zinc/11/55/98/746115598.db2.gz GMWIAQSHUPSAIJ-BBWFWOEESA-N 1 1 346.475 0.332 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)[C@@H]1CC ZINC001087607021 746115602 /nfs/dbraw/zinc/11/56/02/746115602.db2.gz GMWIAQSHUPSAIJ-BBWFWOEESA-N 1 1 346.475 0.332 20 30 ECEDMO C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001105396670 746115610 /nfs/dbraw/zinc/11/56/10/746115610.db2.gz SBCPLRNYRJMQHK-INIZCTEOSA-N 1 1 332.448 0.771 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nn4c(c3C)OCCC4)[C@@H]2C1 ZINC000978268238 746116982 /nfs/dbraw/zinc/11/69/82/746116982.db2.gz IRWLRZYAKFKOMJ-QKDCVEJESA-N 1 1 328.416 0.905 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001001162866 746126735 /nfs/dbraw/zinc/12/67/35/746126735.db2.gz KIZMDECZQCQOMQ-OAGGEKHMSA-N 1 1 333.432 0.604 20 30 ECEDMO Cn1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc1=O ZINC001007053422 752062645 /nfs/dbraw/zinc/06/26/45/752062645.db2.gz AEZKWIBKUXMTEG-HNNXBMFYSA-N 1 1 339.399 0.979 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H]1CC ZINC001087624408 746127813 /nfs/dbraw/zinc/12/78/13/746127813.db2.gz BLGBISYJTBFTSF-LOWDOPEQSA-N 1 1 334.338 0.935 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)[C@H]1CC ZINC001087630153 746131781 /nfs/dbraw/zinc/13/17/81/746131781.db2.gz WKSJVGGOFMTIAP-HZSPNIEDSA-N 1 1 331.420 0.539 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC000978286928 746151187 /nfs/dbraw/zinc/15/11/87/746151187.db2.gz XMTFIHJPEVKKIG-FJIDUMEYSA-N 1 1 342.443 0.875 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC000978286928 746151188 /nfs/dbraw/zinc/15/11/88/746151188.db2.gz XMTFIHJPEVKKIG-FJIDUMEYSA-N 1 1 342.443 0.875 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cnn(C)c3)C2)nn1 ZINC001027606977 746163236 /nfs/dbraw/zinc/16/32/36/746163236.db2.gz PJKXJFRJUVTMRI-HNNXBMFYSA-N 1 1 343.435 0.934 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H]1CC ZINC001087660619 746164723 /nfs/dbraw/zinc/16/47/23/746164723.db2.gz URWXTTBAZNTAAL-DZGCQCFKSA-N 1 1 326.404 0.969 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccn(C)n3)C2)nn1 ZINC001027607434 746170138 /nfs/dbraw/zinc/17/01/38/746170138.db2.gz WGAWBYSPAHVYIR-HNNXBMFYSA-N 1 1 343.435 0.934 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccn(C)n3)C2)nn1 ZINC001027607434 746170139 /nfs/dbraw/zinc/17/01/39/746170139.db2.gz WGAWBYSPAHVYIR-HNNXBMFYSA-N 1 1 343.435 0.934 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)[C@H]1CC ZINC001087673140 746170702 /nfs/dbraw/zinc/17/07/02/746170702.db2.gz XTKRQNFOLHUEJI-RRFJBIMHSA-N 1 1 343.418 0.945 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)nn1 ZINC001105361073 752067703 /nfs/dbraw/zinc/06/77/03/752067703.db2.gz PUANPMMMBQXVKL-OAHLLOKOSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc(OC)cc(OC)n3)[C@@H]2C1 ZINC000978346620 746229746 /nfs/dbraw/zinc/22/97/46/746229746.db2.gz DBHBRCRXNLZDSF-XYYAHUGASA-N 1 1 330.388 0.425 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3cccnn3)CC2)C1=O ZINC001001291616 746250257 /nfs/dbraw/zinc/25/02/57/746250257.db2.gz VBHUURSGOPCCKD-MRXNPFEDSA-N 1 1 341.415 0.625 20 30 ECEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001001309590 746266861 /nfs/dbraw/zinc/26/68/61/746266861.db2.gz GWIMNJSDOGJOBR-HNNXBMFYSA-N 1 1 331.420 0.863 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001001311477 746269035 /nfs/dbraw/zinc/26/90/35/746269035.db2.gz UZAWOHVMGNXADO-MRXNPFEDSA-N 1 1 343.431 0.700 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1CC ZINC001087748105 746278480 /nfs/dbraw/zinc/27/84/80/746278480.db2.gz OVJLCEOWBKBZQH-UONOGXRCSA-N 1 1 344.419 0.436 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3-n3cnnn3)[C@@H]2C1 ZINC000978400783 746289668 /nfs/dbraw/zinc/28/96/68/746289668.db2.gz NYLNFERLXPERMW-CNDDSTCGSA-N 1 1 328.401 0.265 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3ccncn3)C2)C1=O ZINC001027620389 746305436 /nfs/dbraw/zinc/30/54/36/746305436.db2.gz FILFAOPTXJHWHK-HOCLYGCPSA-N 1 1 343.431 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2cnco2)C1 ZINC000984342554 746311375 /nfs/dbraw/zinc/31/13/75/746311375.db2.gz FNVJSFFEOGOIEM-GJZGRUSLSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2cnco2)C1 ZINC000984342554 746311381 /nfs/dbraw/zinc/31/13/81/746311381.db2.gz FNVJSFFEOGOIEM-GJZGRUSLSA-N 1 1 344.415 0.835 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@H]1CC ZINC001087772964 746319685 /nfs/dbraw/zinc/31/96/85/746319685.db2.gz NJXUIMMZWRRLJB-UONOGXRCSA-N 1 1 332.404 0.731 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@@H]1CC ZINC001087801765 746362335 /nfs/dbraw/zinc/36/23/35/746362335.db2.gz FAJXNDJJRIFKCH-LSDHHAIUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@@H]1CC ZINC001087801765 746362341 /nfs/dbraw/zinc/36/23/41/746362341.db2.gz FAJXNDJJRIFKCH-LSDHHAIUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nncn4CC3)[C@@H]2C1 ZINC000978529310 746409340 /nfs/dbraw/zinc/40/93/40/746409340.db2.gz MCFCNTOUOZBEPF-FPCVCCKLSA-N 1 1 327.432 0.548 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000978582010 746448294 /nfs/dbraw/zinc/44/82/94/746448294.db2.gz TVFVGXKXQNONBO-LZWOXQAQSA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000978582010 746448295 /nfs/dbraw/zinc/44/82/95/746448295.db2.gz TVFVGXKXQNONBO-LZWOXQAQSA-N 1 1 328.416 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CCOCC2)C1 ZINC001001547847 746482996 /nfs/dbraw/zinc/48/29/96/746482996.db2.gz HQCCTEIVAQZNDJ-INIZCTEOSA-N 1 1 331.416 0.005 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2=CCOCC2)C1 ZINC001001547847 746483002 /nfs/dbraw/zinc/48/30/02/746483002.db2.gz HQCCTEIVAQZNDJ-INIZCTEOSA-N 1 1 331.416 0.005 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001027644215 746499609 /nfs/dbraw/zinc/49/96/09/746499609.db2.gz YQXBTURRHDYYNK-ZDUSSCGKSA-N 1 1 332.404 0.668 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001027644215 746499613 /nfs/dbraw/zinc/49/96/13/746499613.db2.gz YQXBTURRHDYYNK-ZDUSSCGKSA-N 1 1 332.404 0.668 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCO)[C@H]2CCCN(C(=O)C3CC3)C2)C1=O ZINC001087853222 746504990 /nfs/dbraw/zinc/50/49/90/746504990.db2.gz DRCBPBRWBVLRNO-HOTGVXAUSA-N 1 1 335.448 0.469 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)c3cnn[nH]3)CC2)C1=O ZINC001001582655 746512762 /nfs/dbraw/zinc/51/27/62/746512762.db2.gz OBVNVMVWOJHXFV-CQSZACIVSA-N 1 1 332.408 0.033 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC000978650466 746523620 /nfs/dbraw/zinc/52/36/20/746523620.db2.gz HIWQRZGQRDENKE-SYQHCUMBSA-N 1 1 349.866 0.967 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)/C=C(\C)C3CC3)[C@H](OC)C2)C1=O ZINC001211954108 752099283 /nfs/dbraw/zinc/09/92/83/752099283.db2.gz HBJLDEPXXNCHLZ-KFUPRWLDSA-N 1 1 347.459 0.945 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)/C=C(\C)C3CC3)[C@H](OC)C2)C1=O ZINC001211954108 752099290 /nfs/dbraw/zinc/09/92/90/752099290.db2.gz HBJLDEPXXNCHLZ-KFUPRWLDSA-N 1 1 347.459 0.945 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccnn2C)C1 ZINC000978658208 746546273 /nfs/dbraw/zinc/54/62/73/746546273.db2.gz QXYRGAVPHLKBHB-LZWOXQAQSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccnn2C)C1 ZINC000978658208 746546275 /nfs/dbraw/zinc/54/62/75/746546275.db2.gz QXYRGAVPHLKBHB-LZWOXQAQSA-N 1 1 343.431 0.142 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)cn1 ZINC001027656609 746598959 /nfs/dbraw/zinc/59/89/59/746598959.db2.gz UVXOEPUTHMPSOG-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)cn1 ZINC001027656609 746598961 /nfs/dbraw/zinc/59/89/61/746598961.db2.gz UVXOEPUTHMPSOG-QGZVFWFLSA-N 1 1 340.427 0.832 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC000978710605 746611968 /nfs/dbraw/zinc/61/19/68/746611968.db2.gz YNVBJBUVGKAKJZ-IEECTRCBSA-N 1 1 327.812 0.066 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059397778 746635758 /nfs/dbraw/zinc/63/57/58/746635758.db2.gz YNRWJXGDLMKGFS-JKSUJKDBSA-N 1 1 333.432 0.085 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CCNC(=O)C#CC3CC3)C2)C1 ZINC001059397778 746635762 /nfs/dbraw/zinc/63/57/62/746635762.db2.gz YNRWJXGDLMKGFS-JKSUJKDBSA-N 1 1 333.432 0.085 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940057 746694222 /nfs/dbraw/zinc/69/42/22/746694222.db2.gz LWXJRJOAVSWNDF-NFAWXSAZSA-N 1 1 343.431 0.757 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@H](C)OC)C[C@H]32)nn1 ZINC000978812042 746733479 /nfs/dbraw/zinc/73/34/79/746733479.db2.gz CIGGWULMHDZOCT-ZQDZILKHSA-N 1 1 333.436 0.797 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001027673169 746734668 /nfs/dbraw/zinc/73/46/68/746734668.db2.gz DYOXTIBBJBJKJK-NWDGAFQWSA-N 1 1 342.827 0.650 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001027673169 746734670 /nfs/dbraw/zinc/73/46/70/746734670.db2.gz DYOXTIBBJBJKJK-NWDGAFQWSA-N 1 1 342.827 0.650 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087961851 746747395 /nfs/dbraw/zinc/74/73/95/746747395.db2.gz MHOSDNJPCHFFBA-IMJJTQAJSA-N 1 1 329.444 0.847 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccnn4C)C[C@H]32)nn1 ZINC000978822404 746750567 /nfs/dbraw/zinc/75/05/67/746750567.db2.gz XWBCGRLWSTZJCP-QKDCVEJESA-N 1 1 341.419 0.305 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000978840897 746767622 /nfs/dbraw/zinc/76/76/22/746767622.db2.gz KIOOZDVRPZXYJT-KSWRQPAISA-N 1 1 349.475 0.930 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCC[C@@]2(CCCOC2)C1 ZINC000261680521 752122062 /nfs/dbraw/zinc/12/20/62/752122062.db2.gz BUKINSMTJSMVBF-SJLPKXTDSA-N 1 1 335.496 0.454 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001001885137 746785026 /nfs/dbraw/zinc/78/50/26/746785026.db2.gz GIZGSFOZWVXNEI-INIZCTEOSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](N(C)[C@H]3CCNC3=O)C2)CC1 ZINC001027694236 746860862 /nfs/dbraw/zinc/86/08/62/746860862.db2.gz UZYSMLRQEKSSOH-SJORKVTESA-N 1 1 346.475 0.143 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001059427565 746893854 /nfs/dbraw/zinc/89/38/54/746893854.db2.gz NWIAQQWZLJYSEU-DZGCQCFKSA-N 1 1 343.431 0.806 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@@H]2C1 ZINC001087985687 746896361 /nfs/dbraw/zinc/89/63/61/746896361.db2.gz ZFCIOEAMSLPTRJ-IKGGRYGDSA-N 1 1 349.475 0.838 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001059430220 746905264 /nfs/dbraw/zinc/90/52/64/746905264.db2.gz RVDHZJQHVLRMHR-BBRMVZONSA-N 1 1 343.431 0.949 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(Cn4cccn4)on3)[C@@H]2C1 ZINC000978943367 746925720 /nfs/dbraw/zinc/92/57/20/746925720.db2.gz HSRLAQDOPBUSKI-PHZGNYQRSA-N 1 1 339.399 0.850 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2csnn2)C1 ZINC000978951877 746944475 /nfs/dbraw/zinc/94/44/75/746944475.db2.gz DCGLKOFWJCWBPA-SCRDCRAPSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2csnn2)C1 ZINC000978951877 746944481 /nfs/dbraw/zinc/94/44/81/746944481.db2.gz DCGLKOFWJCWBPA-SCRDCRAPSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC000978952423 746945741 /nfs/dbraw/zinc/94/57/41/746945741.db2.gz HIXAZNUFHWQFLK-JONQDZQNSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC000978952423 746945747 /nfs/dbraw/zinc/94/57/47/746945747.db2.gz HIXAZNUFHWQFLK-JONQDZQNSA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2cnoc2)C1 ZINC000978954551 746949409 /nfs/dbraw/zinc/94/94/09/746949409.db2.gz WFHSEIBGCDRVGC-IMJJTQAJSA-N 1 1 344.415 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2cnoc2)C1 ZINC000978954551 746949412 /nfs/dbraw/zinc/94/94/12/746949412.db2.gz WFHSEIBGCDRVGC-IMJJTQAJSA-N 1 1 344.415 0.326 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@@H]2C1 ZINC001087994177 746973044 /nfs/dbraw/zinc/97/30/44/746973044.db2.gz VFHAVJKUCOXOOW-IXDOHACOSA-N 1 1 329.448 0.227 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@@H]2C1 ZINC001087994176 746973676 /nfs/dbraw/zinc/97/36/76/746973676.db2.gz VFHAVJKUCOXOOW-IKGGRYGDSA-N 1 1 329.448 0.227 20 30 ECEDMO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001059445661 746975012 /nfs/dbraw/zinc/97/50/12/746975012.db2.gz ANBDQKWWOLMIFK-RGCMKSIDSA-N 1 1 342.403 0.271 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)cn1 ZINC000979013952 747059032 /nfs/dbraw/zinc/05/90/32/747059032.db2.gz GPFTXMWSBBOUME-NXOAAHMSSA-N 1 1 338.411 0.249 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001059461361 747127729 /nfs/dbraw/zinc/12/77/29/747127729.db2.gz DHCJQRUOOBQCEY-RGCMKSIDSA-N 1 1 344.419 0.435 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001059461361 747127734 /nfs/dbraw/zinc/12/77/34/747127734.db2.gz DHCJQRUOOBQCEY-RGCMKSIDSA-N 1 1 344.419 0.435 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C(=O)NC)c3)[C@@H]2C1 ZINC000979089980 747158179 /nfs/dbraw/zinc/15/81/79/747158179.db2.gz KPTHRZZOBFOJHE-OSYLJGHBSA-N 1 1 325.412 0.977 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3nc4ccccn4c3=O)C[C@@H]2C1 ZINC001088058747 747168261 /nfs/dbraw/zinc/16/82/61/747168261.db2.gz PXOVOPABHINUQJ-CABCVRRESA-N 1 1 341.415 0.462 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001002339445 747230402 /nfs/dbraw/zinc/23/04/02/747230402.db2.gz RNHIMXZAIGMXBS-LSDHHAIUSA-N 1 1 343.431 0.901 20 30 ECEDMO CN(C[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001002339440 747230455 /nfs/dbraw/zinc/23/04/55/747230455.db2.gz RNHIMXZAIGMXBS-GJZGRUSLSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001002411236 747316352 /nfs/dbraw/zinc/31/63/52/747316352.db2.gz ZSSRSBPPUPQYDA-GJZGRUSLSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C)on2)C1=O ZINC001027742413 747323389 /nfs/dbraw/zinc/32/33/89/747323389.db2.gz PDLNKDZMVYICRZ-DZGCQCFKSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C)on2)C1=O ZINC001027742413 747323395 /nfs/dbraw/zinc/32/33/95/747323395.db2.gz PDLNKDZMVYICRZ-DZGCQCFKSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001027742821 747327458 /nfs/dbraw/zinc/32/74/58/747327458.db2.gz WVSOAHQRDXGFRD-JKSUJKDBSA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001027742821 747327465 /nfs/dbraw/zinc/32/74/65/747327465.db2.gz WVSOAHQRDXGFRD-JKSUJKDBSA-N 1 1 344.415 0.301 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)c1 ZINC001088099242 747382120 /nfs/dbraw/zinc/38/21/20/747382120.db2.gz AVICMCBYEMFBSF-WBVHZDCISA-N 1 1 340.427 0.545 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(C)cc3=O)C[C@@H]2C1 ZINC001088124149 747436053 /nfs/dbraw/zinc/43/60/53/747436053.db2.gz ZCXXKBCQQYFHLJ-SJORKVTESA-N 1 1 327.428 0.960 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088126019 747440088 /nfs/dbraw/zinc/44/00/88/747440088.db2.gz LAZKPHRQOQEIIN-KFWWJZLASA-N 1 1 326.462 0.778 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088126019 747440091 /nfs/dbraw/zinc/44/00/91/747440091.db2.gz LAZKPHRQOQEIIN-KFWWJZLASA-N 1 1 326.462 0.778 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@@H]2C1 ZINC001088137964 747475706 /nfs/dbraw/zinc/47/57/06/747475706.db2.gz MIZADNOZKZCYAP-CABCVRRESA-N 1 1 338.473 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@@H]2C1 ZINC001088137964 747475710 /nfs/dbraw/zinc/47/57/10/747475710.db2.gz MIZADNOZKZCYAP-CABCVRRESA-N 1 1 338.473 0.757 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncccn1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979279054 747504718 /nfs/dbraw/zinc/50/47/18/747504718.db2.gz TWSUAVBUYNFKAD-IUODEOHRSA-N 1 1 340.387 0.696 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000979279761 747505082 /nfs/dbraw/zinc/50/50/82/747505082.db2.gz WUPQNPWKMVVCTK-HYVNUMGLSA-N 1 1 340.427 0.782 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncccn1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979290478 747521492 /nfs/dbraw/zinc/52/14/92/747521492.db2.gz ILQHVQWSLPNLDS-DOMZBBRYSA-N 1 1 340.387 0.696 20 30 ECEDMO C[C@H]([NH2+]Cc1ncccn1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979290484 747521744 /nfs/dbraw/zinc/52/17/44/747521744.db2.gz ILQHVQWSLPNLDS-SWLSCSKDSA-N 1 1 340.387 0.696 20 30 ECEDMO C[C@H]([NH2+]Cc1ccon1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979292342 747525309 /nfs/dbraw/zinc/52/53/09/747525309.db2.gz LNWLCKXIJGDAGJ-NHYWBVRUSA-N 1 1 329.360 0.894 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C[C@@H]2C1 ZINC001088155041 747548163 /nfs/dbraw/zinc/54/81/63/747548163.db2.gz SPYCEDRVNRPDSX-OAGGEKHMSA-N 1 1 345.447 0.895 20 30 ECEDMO C[C@H]([NH2+]Cc1ncnn1C)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979295160 747558506 /nfs/dbraw/zinc/55/85/06/747558506.db2.gz QVFDZQZUFHGUSY-FZMZJTMJSA-N 1 1 343.391 0.034 20 30 ECEDMO Cc1nonc1C[NH2+][C@H](C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979295088 747558646 /nfs/dbraw/zinc/55/86/46/747558646.db2.gz QJGFEYHFKVHCMT-IAQYHMDHSA-N 1 1 344.375 0.597 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)CNC(C)=O)C2)nn1 ZINC001105342427 747564502 /nfs/dbraw/zinc/56/45/02/747564502.db2.gz DPDWMESAENNYOJ-UHFFFAOYSA-N 1 1 334.424 0.099 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3-c3cnn(C)c3)C[C@@H]2C1 ZINC001088166419 747567181 /nfs/dbraw/zinc/56/71/81/747567181.db2.gz AHDOBTQZOILECW-HIFRSBDPSA-N 1 1 338.415 0.837 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC001002640900 747605052 /nfs/dbraw/zinc/60/50/52/747605052.db2.gz PLHABVRTEFEOBV-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC001002640900 747605057 /nfs/dbraw/zinc/60/50/57/747605057.db2.gz PLHABVRTEFEOBV-ULQDDVLXSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cnon1 ZINC001002643532 747608178 /nfs/dbraw/zinc/60/81/78/747608178.db2.gz WYXWUUYQLLXMRT-HIFRSBDPSA-N 1 1 345.403 0.230 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cnon1 ZINC001002643532 747608183 /nfs/dbraw/zinc/60/81/83/747608183.db2.gz WYXWUUYQLLXMRT-HIFRSBDPSA-N 1 1 345.403 0.230 20 30 ECEDMO CC(C)n1ncnc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979332913 747657755 /nfs/dbraw/zinc/65/77/55/747657755.db2.gz MJDFKBCVNDUTKN-HOCLYGCPSA-N 1 1 345.447 0.978 20 30 ECEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001002722873 747700225 /nfs/dbraw/zinc/70/02/25/747700225.db2.gz OERLBXYWUBNVSQ-OAHLLOKOSA-N 1 1 328.372 0.747 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001088199081 747725107 /nfs/dbraw/zinc/72/51/07/747725107.db2.gz YRFZYUXAUMJGEC-OLZOCXBDSA-N 1 1 332.404 0.456 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCC(=O)N1 ZINC001027792031 747768775 /nfs/dbraw/zinc/76/87/75/747768775.db2.gz HPRHLTPYWPVNRS-IAGOWNOFSA-N 1 1 325.412 0.897 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@H]1CCC(=O)N1 ZINC001027792031 747768778 /nfs/dbraw/zinc/76/87/78/747768778.db2.gz HPRHLTPYWPVNRS-IAGOWNOFSA-N 1 1 325.412 0.897 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 ZINC001088229226 747779752 /nfs/dbraw/zinc/77/97/52/747779752.db2.gz LRFBLSGOLHOTCO-IRXDYDNUSA-N 1 1 338.448 0.917 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 ZINC001088230222 747782275 /nfs/dbraw/zinc/78/22/75/747782275.db2.gz KQXWRHMLCRLDSH-HNNXBMFYSA-N 1 1 347.415 0.555 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001088233012 747788993 /nfs/dbraw/zinc/78/89/93/747788993.db2.gz FSAMWZFRLSMZJG-GJZGRUSLSA-N 1 1 337.420 0.610 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC001088233435 747791530 /nfs/dbraw/zinc/79/15/30/747791530.db2.gz QAARCJKCFMFGIS-DLBZAZTESA-N 1 1 349.475 0.980 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 ZINC001088233536 747798484 /nfs/dbraw/zinc/79/84/84/747798484.db2.gz SFXRMEYGSCOIQL-SFHVURJKSA-N 1 1 344.459 0.925 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 ZINC001088233892 747800370 /nfs/dbraw/zinc/80/03/70/747800370.db2.gz CKFFTRHWFGRBRB-IAGOWNOFSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 ZINC001088236270 747809347 /nfs/dbraw/zinc/80/93/47/747809347.db2.gz PWWWGQFBPCFVEQ-DLBZAZTESA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001002825715 747838162 /nfs/dbraw/zinc/83/81/62/747838162.db2.gz GBFGGGSDGROYQT-WBVHZDCISA-N 1 1 346.475 0.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CCC(O)CC2)C1 ZINC001002828381 747843758 /nfs/dbraw/zinc/84/37/58/747843758.db2.gz DHQPONULKYYXFI-JCYILVPMSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CCC(O)CC2)C1 ZINC001002828381 747843765 /nfs/dbraw/zinc/84/37/65/747843765.db2.gz DHQPONULKYYXFI-JCYILVPMSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cncs2)C1 ZINC001002830150 747846439 /nfs/dbraw/zinc/84/64/39/747846439.db2.gz QLSVYKXHGJNYCP-ZDUSSCGKSA-N 1 1 332.429 0.429 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cncs2)C1 ZINC001002830150 747846450 /nfs/dbraw/zinc/84/64/50/747846450.db2.gz QLSVYKXHGJNYCP-ZDUSSCGKSA-N 1 1 332.429 0.429 20 30 ECEDMO C[N@@H+](CCn1cncn1)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985382255 747846942 /nfs/dbraw/zinc/84/69/42/747846942.db2.gz ZQMYUYWBRSYWLG-UHFFFAOYSA-N 1 1 327.392 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@](C)(O)C2CC2)C1 ZINC001002830848 747848786 /nfs/dbraw/zinc/84/87/86/747848786.db2.gz WUEGNQRWVGNADW-LPHOPBHVSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@](C)(O)C2CC2)C1 ZINC001002830848 747848795 /nfs/dbraw/zinc/84/87/95/747848795.db2.gz WUEGNQRWVGNADW-LPHOPBHVSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC23CCC3)C1 ZINC001002837153 747859763 /nfs/dbraw/zinc/85/97/63/747859763.db2.gz YNMPDNKLEQEMGK-HOTGVXAUSA-N 1 1 329.444 0.849 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC23CCC3)C1 ZINC001002837153 747859773 /nfs/dbraw/zinc/85/97/73/747859773.db2.gz YNMPDNKLEQEMGK-HOTGVXAUSA-N 1 1 329.444 0.849 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001088238656 747862230 /nfs/dbraw/zinc/86/22/30/747862230.db2.gz AHUSCTKWIIYXSS-OAHLLOKOSA-N 1 1 333.436 0.944 20 30 ECEDMO C[N@@H+](C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)[C@H]1CCC(=O)NC1=O ZINC000985389327 747874733 /nfs/dbraw/zinc/87/47/33/747874733.db2.gz RSYBFRQOMVVMQP-AWEZNQCLSA-N 1 1 343.387 0.228 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(CO[C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001088240285 747938018 /nfs/dbraw/zinc/93/80/18/747938018.db2.gz UNDBZIUGSAFMHX-DLBZAZTESA-N 1 1 334.464 0.791 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000979578268 748072137 /nfs/dbraw/zinc/07/21/37/748072137.db2.gz GNGRTDKIJVTNSS-DJIMGWMZSA-N 1 1 340.427 0.782 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1CCC(=O)NC1=O ZINC001029690956 748074353 /nfs/dbraw/zinc/07/43/53/748074353.db2.gz LAVLMYISJLSFAB-SMDDNHRTSA-N 1 1 343.387 0.085 20 30 ECEDMO C[N@@H+](C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@H]1CCCNC1=O ZINC001029708063 748110444 /nfs/dbraw/zinc/11/04/44/748110444.db2.gz KQDGNBWHORJFER-DOMZBBRYSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cnn(CC)n2)CC1 ZINC001003057181 748126471 /nfs/dbraw/zinc/12/64/71/748126471.db2.gz XHLQVAHOZGMPTH-KRWDZBQOSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cnn(CC)n2)CC1 ZINC001003057181 748126473 /nfs/dbraw/zinc/12/64/73/748126473.db2.gz XHLQVAHOZGMPTH-KRWDZBQOSA-N 1 1 344.463 0.476 20 30 ECEDMO C[N@@H+](C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C[C@@H]1CCc2ncnn21 ZINC001029733766 748176187 /nfs/dbraw/zinc/17/61/87/748176187.db2.gz OCPFUUYSJAEFPE-HOTGVXAUSA-N 1 1 327.432 0.959 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001027825564 748199644 /nfs/dbraw/zinc/19/96/44/748199644.db2.gz BYZOFGJRAFFOSA-MSOLQXFVSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccn4nnnc34)C[C@@H]2C1 ZINC000979745314 748332604 /nfs/dbraw/zinc/33/26/04/748332604.db2.gz LUFANNCWORTEPH-RRFJBIMHSA-N 1 1 338.415 0.978 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000979781596 748382594 /nfs/dbraw/zinc/38/25/94/748382594.db2.gz WQCOLMMPLDGPFJ-QRTARXTBSA-N 1 1 340.427 0.639 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3cn[nH]n3)CC2)C1=O ZINC000985521687 748393693 /nfs/dbraw/zinc/39/36/93/748393693.db2.gz PNMOZHQVTWPEHD-CQSZACIVSA-N 1 1 332.408 0.128 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027836182 748399000 /nfs/dbraw/zinc/39/90/00/748399000.db2.gz PFVKWWHQPMONGC-ABAIWWIYSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027836182 748399008 /nfs/dbraw/zinc/39/90/08/748399008.db2.gz PFVKWWHQPMONGC-ABAIWWIYSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cncnc2)C1=O ZINC001027838379 748425457 /nfs/dbraw/zinc/42/54/57/748425457.db2.gz AQQOVNFFVLBRFH-HUUCEWRRSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cncnc2)C1=O ZINC001027838379 748425460 /nfs/dbraw/zinc/42/54/60/748425460.db2.gz AQQOVNFFVLBRFH-HUUCEWRRSA-N 1 1 329.404 0.458 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001059564425 748444364 /nfs/dbraw/zinc/44/43/64/748444364.db2.gz JYNQGCJSLGLBFE-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001059564425 748444367 /nfs/dbraw/zinc/44/43/67/748444367.db2.gz JYNQGCJSLGLBFE-HOTGVXAUSA-N 1 1 349.475 0.600 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)C2=CCOCC2)C1=O ZINC001027841272 748452576 /nfs/dbraw/zinc/45/25/76/748452576.db2.gz ZXZJRXNYGLKCHF-HZPDHXFCSA-N 1 1 333.432 0.701 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001029803174 748487416 /nfs/dbraw/zinc/48/74/16/748487416.db2.gz JYOZTRHACDZEAW-RHSMWYFYSA-N 1 1 340.427 0.975 20 30 ECEDMO CC#CCNCc1cn([C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001098728410 748523488 /nfs/dbraw/zinc/52/34/88/748523488.db2.gz OSUFYEFFUCCWEC-RDJZCZTQSA-N 1 1 344.463 0.649 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)cc1F ZINC001003429589 748546045 /nfs/dbraw/zinc/54/60/45/748546045.db2.gz SDLWFQGQYYSJOO-OAHLLOKOSA-N 1 1 344.390 0.914 20 30 ECEDMO Cn1nnc(C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)n1 ZINC001003452647 748569437 /nfs/dbraw/zinc/56/94/37/748569437.db2.gz JAHKJVOPBMAUCP-UHFFFAOYSA-N 1 1 331.405 0.538 20 30 ECEDMO Cn1nnc(C(=O)N2CCC([N@@H+](C)Cc3ccc(C#N)cc3)CC2)n1 ZINC000985585720 748647915 /nfs/dbraw/zinc/64/79/15/748647915.db2.gz SFMPNVRBTSCGGI-UHFFFAOYSA-N 1 1 339.403 0.818 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cnn(C)n3)C2)c1 ZINC001029834341 748666299 /nfs/dbraw/zinc/66/62/99/748666299.db2.gz CUHKFXFGKYKBOJ-OAHLLOKOSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cnn(C)n3)C2)c1 ZINC001029834341 748666304 /nfs/dbraw/zinc/66/63/04/748666304.db2.gz CUHKFXFGKYKBOJ-OAHLLOKOSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCCNC3=O)C2)c1 ZINC001029835021 748668384 /nfs/dbraw/zinc/66/83/84/748668384.db2.gz KUUREZATUIMQLM-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001003546885 748668708 /nfs/dbraw/zinc/66/87/08/748668708.db2.gz DXAKPJNLEVHHPL-QGZVFWFLSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1=O ZINC001003628975 748742034 /nfs/dbraw/zinc/74/20/34/748742034.db2.gz VRXBOWIDRICGGN-RDJZCZTQSA-N 1 1 348.491 0.838 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1=O ZINC001003628975 748742039 /nfs/dbraw/zinc/74/20/39/748742039.db2.gz VRXBOWIDRICGGN-RDJZCZTQSA-N 1 1 348.491 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2nccs2)C1 ZINC000979966731 748758507 /nfs/dbraw/zinc/75/85/07/748758507.db2.gz DQEKKDBUBMIYEE-IHRRRGAJSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2nccs2)C1 ZINC000979966731 748758512 /nfs/dbraw/zinc/75/85/12/748758512.db2.gz DQEKKDBUBMIYEE-IHRRRGAJSA-N 1 1 346.456 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2CC(OC)C2)C1 ZINC000979969150 748762873 /nfs/dbraw/zinc/76/28/73/748762873.db2.gz XILIPDZVJPMLOQ-OQBQERNKSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C2CC(OC)C2)C1 ZINC000979969150 748762875 /nfs/dbraw/zinc/76/28/75/748762875.db2.gz XILIPDZVJPMLOQ-OQBQERNKSA-N 1 1 347.459 0.520 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC([N@H+](C)[C@H](CC)C(N)=O)CC2)nn1 ZINC000985700340 748890309 /nfs/dbraw/zinc/89/03/09/748890309.db2.gz PFVCSXSCXPEEPM-OAHLLOKOSA-N 1 1 348.451 0.655 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3cnn(C)n3)CC2)cn1 ZINC000985756075 749019480 /nfs/dbraw/zinc/01/94/80/749019480.db2.gz BJBJXLRQUFDGFL-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3cnn(C)n3)CC2)cn1 ZINC000985756075 749019482 /nfs/dbraw/zinc/01/94/82/749019482.db2.gz BJBJXLRQUFDGFL-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)[C@@H]3CCNC3=O)CC2)cn1 ZINC000985758080 749022197 /nfs/dbraw/zinc/02/21/97/749022197.db2.gz URXVZMPBLOBNLX-MRXNPFEDSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)C3CC3)CC2)nc1 ZINC001003998193 749124656 /nfs/dbraw/zinc/12/46/56/749124656.db2.gz UBQCDFMANGYBRX-UHFFFAOYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)COc2cccc(C(N)=O)c2)CC1 ZINC000985803960 749137898 /nfs/dbraw/zinc/13/78/98/749137898.db2.gz LCRUEDCYETVZIV-UHFFFAOYSA-N 1 1 329.400 0.720 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(C#N)nn1 ZINC001126254427 749145392 /nfs/dbraw/zinc/14/53/92/749145392.db2.gz IZPIQBDCJNQFEJ-AWEZNQCLSA-N 1 1 332.408 0.011 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001059654842 749151797 /nfs/dbraw/zinc/15/17/97/749151797.db2.gz YIXNUOXUCQLVGY-QLFBSQMISA-N 1 1 329.404 0.733 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001059654842 749151800 /nfs/dbraw/zinc/15/18/00/749151800.db2.gz YIXNUOXUCQLVGY-QLFBSQMISA-N 1 1 329.404 0.733 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1cc(C)ncc1C#N ZINC001126254948 749154212 /nfs/dbraw/zinc/15/42/12/749154212.db2.gz ORKLXAMWLFYKCY-MRXNPFEDSA-N 1 1 345.447 0.925 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)CSC)CC2)CC1 ZINC000985823145 749173526 /nfs/dbraw/zinc/17/35/26/749173526.db2.gz QTBWNXNUHZJGKV-UHFFFAOYSA-N 1 1 338.477 0.255 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccnc4nc(C)nn43)C[C@@H]2C1 ZINC000980207443 749185711 /nfs/dbraw/zinc/18/57/11/749185711.db2.gz JOZCRDMOZCGWEO-RRFJBIMHSA-N 1 1 338.415 0.896 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)CC1 ZINC000985828878 749191879 /nfs/dbraw/zinc/19/18/79/749191879.db2.gz ZXENXOGIMZUYSU-IAGOWNOFSA-N 1 1 346.475 0.938 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(C(=O)NC)n3)C[C@@H]2C1 ZINC000980234576 749216781 /nfs/dbraw/zinc/21/67/81/749216781.db2.gz XBMHUDOJENPAJV-ZNMIVQPWSA-N 1 1 340.427 0.905 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC000980234178 749217125 /nfs/dbraw/zinc/21/71/25/749217125.db2.gz WBZNHCWNEDQLJM-ARFHVFGLSA-N 1 1 345.447 0.130 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC000980231619 749228421 /nfs/dbraw/zinc/22/84/21/749228421.db2.gz MWUVBHHUHUKIQI-ARFHVFGLSA-N 1 1 347.463 0.683 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC000980245787 749234050 /nfs/dbraw/zinc/23/40/50/749234050.db2.gz OQRKSCXPFOLIDQ-RRFJBIMHSA-N 1 1 333.432 0.928 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)C[C@H]2C1 ZINC000980241216 749245886 /nfs/dbraw/zinc/24/58/86/749245886.db2.gz IORGMFWNENMGEK-QEJZJMRPSA-N 1 1 328.416 0.967 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)OCCOC)C2)nn1 ZINC001098739069 749310749 /nfs/dbraw/zinc/31/07/49/749310749.db2.gz CIUQIXKEALZXAQ-UKRRQHHQSA-N 1 1 337.424 0.379 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3nccc3C)C2)nn1 ZINC001098739401 749328170 /nfs/dbraw/zinc/32/81/70/749328170.db2.gz GGMWQQYOSJOTCN-INIZCTEOSA-N 1 1 343.435 0.922 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CCCNc2nccnc2C#N)C1 ZINC001114946397 749402277 /nfs/dbraw/zinc/40/22/77/749402277.db2.gz KTUKCRKLQFYCDA-UKRRQHHQSA-N 1 1 346.435 0.766 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CCCNc2nccnc2C#N)C1 ZINC001114946397 749402280 /nfs/dbraw/zinc/40/22/80/749402280.db2.gz KTUKCRKLQFYCDA-UKRRQHHQSA-N 1 1 346.435 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)nc1 ZINC001029889750 749442873 /nfs/dbraw/zinc/44/28/73/749442873.db2.gz OCRSFFXQTUJIIR-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC001004453966 749518413 /nfs/dbraw/zinc/51/84/13/749518413.db2.gz YODUBWLWNXYTJN-MRXNPFEDSA-N 1 1 338.473 0.757 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001004471552 749540211 /nfs/dbraw/zinc/54/02/11/749540211.db2.gz AQABIMJLZSGMOM-INIZCTEOSA-N 1 1 345.447 0.308 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccnc(C)n3)C2)C1=O ZINC000980425679 749551835 /nfs/dbraw/zinc/55/18/35/749551835.db2.gz DNHKZJRCHONTPR-GOEBONIOSA-N 1 1 343.431 0.718 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1csnn1 ZINC001027942268 749664425 /nfs/dbraw/zinc/66/44/25/749664425.db2.gz BDTRYUXVDXABIE-GJZGRUSLSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1csnn1 ZINC001027942268 749664428 /nfs/dbraw/zinc/66/44/28/749664428.db2.gz BDTRYUXVDXABIE-GJZGRUSLSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001004608686 749680084 /nfs/dbraw/zinc/68/00/84/749680084.db2.gz AVTBJNQYCLNPPC-QZTJIDSGSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001004627296 749705341 /nfs/dbraw/zinc/70/53/41/749705341.db2.gz YJVLWAJPUPOMDI-HOTGVXAUSA-N 1 1 332.448 0.866 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001029946208 750024601 /nfs/dbraw/zinc/02/46/01/750024601.db2.gz HWFWZTFGHQQOBN-HIFRSBDPSA-N 1 1 341.477 0.751 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058846695 750115748 /nfs/dbraw/zinc/11/57/48/750115748.db2.gz COCIBMKTDNNDHQ-HZPDHXFCSA-N 1 1 339.480 0.868 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H](C[NH2+]Cc3nnn(C)n3)C[C@H]2C)nc1 ZINC000980768318 750123353 /nfs/dbraw/zinc/12/33/53/750123353.db2.gz SZIWSHQBEXCYQY-OCCSQVGLSA-N 1 1 339.403 0.227 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027975936 750127851 /nfs/dbraw/zinc/12/78/51/750127851.db2.gz YMIWXSJMAYNLSW-GFCCVEGCSA-N 1 1 327.406 0.697 20 30 ECEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(N)=O)ccn1)C2 ZINC001111524025 750191146 /nfs/dbraw/zinc/19/11/46/750191146.db2.gz XCNORYIGLWKLTH-FMKPAKJESA-N 1 1 344.415 0.718 20 30 ECEDMO C=CCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001075882677 750193838 /nfs/dbraw/zinc/19/38/38/750193838.db2.gz IFEAMIXEEVJJGV-CQDIZWNASA-N 1 1 335.448 0.827 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3cc(C)on3)CC2)C1=O ZINC000980859191 750273903 /nfs/dbraw/zinc/27/39/03/750273903.db2.gz QIUWQYFXYHWPBZ-INIZCTEOSA-N 1 1 346.431 0.847 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3cc(C)on3)CC2)C1=O ZINC000980859191 750273906 /nfs/dbraw/zinc/27/39/06/750273906.db2.gz QIUWQYFXYHWPBZ-INIZCTEOSA-N 1 1 346.431 0.847 20 30 ECEDMO Cc1nc(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001058856843 750346660 /nfs/dbraw/zinc/34/66/60/750346660.db2.gz DKZPOXGSANGSMV-LSDHHAIUSA-N 1 1 329.404 0.605 20 30 ECEDMO Cc1nc(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001058856843 750346666 /nfs/dbraw/zinc/34/66/66/750346666.db2.gz DKZPOXGSANGSMV-LSDHHAIUSA-N 1 1 329.404 0.605 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001028012296 750370660 /nfs/dbraw/zinc/37/06/60/750370660.db2.gz KLSSTIXWSZOEDD-AWEZNQCLSA-N 1 1 332.404 0.107 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C(F)F)c3)C2)nn1 ZINC001105349690 750441250 /nfs/dbraw/zinc/44/12/50/750441250.db2.gz OITDMVWBMKVBSL-UHFFFAOYSA-N 1 1 337.334 0.842 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncc(C)cn3)[C@H]2C)nn1 ZINC000987131710 750517312 /nfs/dbraw/zinc/51/73/12/750517312.db2.gz GEHTXIQGQYUQHL-KGLIPLIRSA-N 1 1 341.419 0.955 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001028076418 750543730 /nfs/dbraw/zinc/54/37/30/750543730.db2.gz NWCKHCXNBHDSIR-SMDDNHRTSA-N 1 1 347.444 0.724 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001028076418 750543732 /nfs/dbraw/zinc/54/37/32/750543732.db2.gz NWCKHCXNBHDSIR-SMDDNHRTSA-N 1 1 347.444 0.724 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)n1 ZINC001028078686 750546647 /nfs/dbraw/zinc/54/66/47/750546647.db2.gz PELSCOIBVXKSGD-AWEZNQCLSA-N 1 1 325.376 0.476 20 30 ECEDMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)n1 ZINC001028078686 750546651 /nfs/dbraw/zinc/54/66/51/750546651.db2.gz PELSCOIBVXKSGD-AWEZNQCLSA-N 1 1 325.376 0.476 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nc(C)no2)CC1 ZINC000981361409 750625870 /nfs/dbraw/zinc/62/58/70/750625870.db2.gz KKAKAXMKUXEHLB-HNNXBMFYSA-N 1 1 331.420 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nc(C)no2)CC1 ZINC000981361409 750625872 /nfs/dbraw/zinc/62/58/72/750625872.db2.gz KKAKAXMKUXEHLB-HNNXBMFYSA-N 1 1 331.420 0.510 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028108954 750892179 /nfs/dbraw/zinc/89/21/79/750892179.db2.gz BFHOMFZNGGRRGM-LSDHHAIUSA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028108954 750892184 /nfs/dbraw/zinc/89/21/84/750892184.db2.gz BFHOMFZNGGRRGM-LSDHHAIUSA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001028108970 750893455 /nfs/dbraw/zinc/89/34/55/750893455.db2.gz BKKUXCWDENQRPC-LSDHHAIUSA-N 1 1 327.388 0.320 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001028110117 750907659 /nfs/dbraw/zinc/90/76/59/750907659.db2.gz RIPJRFZTPUGTLN-DZGCQCFKSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001028110117 750907665 /nfs/dbraw/zinc/90/76/65/750907665.db2.gz RIPJRFZTPUGTLN-DZGCQCFKSA-N 1 1 345.378 0.459 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NCc3cnns3)[C@@H]2C)CC1 ZINC000987573150 750974708 /nfs/dbraw/zinc/97/47/08/750974708.db2.gz ZCSYSVNUONIKQD-BBRMVZONSA-N 1 1 347.488 0.962 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CC[NH+]([C@H]3CCNC3=O)CC2)nn1 ZINC001006112350 751026811 /nfs/dbraw/zinc/02/68/11/751026811.db2.gz HHBDWJOHFNXXNM-HNNXBMFYSA-N 1 1 346.435 0.279 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC001006128654 751051172 /nfs/dbraw/zinc/05/11/72/751051172.db2.gz RXFGMXMNAMIZAG-UKRRQHHQSA-N 1 1 340.427 0.591 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CN(C(=O)[C@H](O)C(C)C)C3)C2)C1=O ZINC000981748277 751067689 /nfs/dbraw/zinc/06/76/89/751067689.db2.gz YKZHUDLVNWCCPT-HZPDHXFCSA-N 1 1 349.475 0.715 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000981836545 751163486 /nfs/dbraw/zinc/16/34/86/751163486.db2.gz FPKNFHBGOAXRJQ-UHFFFAOYSA-N 1 1 328.416 0.948 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N(C)C)CC2)nc1 ZINC001006304138 751222247 /nfs/dbraw/zinc/22/22/47/751222247.db2.gz VIPNVSYBRLHHRN-UHFFFAOYSA-N 1 1 328.416 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2nc(C)c[nH]2)C1 ZINC001006315036 751234410 /nfs/dbraw/zinc/23/44/10/751234410.db2.gz MVPUDKTYHXZIMB-ZFWWWQNUSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2nc(C)c[nH]2)C1 ZINC001006315036 751234413 /nfs/dbraw/zinc/23/44/13/751234413.db2.gz MVPUDKTYHXZIMB-ZFWWWQNUSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2oncc2C)C1 ZINC001006317543 751239519 /nfs/dbraw/zinc/23/95/19/751239519.db2.gz HNDWHOFKSXSAIS-HIFRSBDPSA-N 1 1 344.415 0.657 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2oncc2C)C1 ZINC001006317543 751239523 /nfs/dbraw/zinc/23/95/23/751239523.db2.gz HNDWHOFKSXSAIS-HIFRSBDPSA-N 1 1 344.415 0.657 20 30 ECEDMO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006346002 751269903 /nfs/dbraw/zinc/26/99/03/751269903.db2.gz XXLMEDOODNYHTF-DVOMOZLQSA-N 1 1 333.432 0.082 20 30 ECEDMO C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006346002 751269908 /nfs/dbraw/zinc/26/99/08/751269908.db2.gz XXLMEDOODNYHTF-DVOMOZLQSA-N 1 1 333.432 0.082 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001020918843 752333759 /nfs/dbraw/zinc/33/37/59/752333759.db2.gz VNXOSFFKVUVXFF-SOUVJXGZSA-N 1 1 335.423 0.891 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001020918843 752333768 /nfs/dbraw/zinc/33/37/68/752333768.db2.gz VNXOSFFKVUVXFF-SOUVJXGZSA-N 1 1 335.423 0.891 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nonc2C)C1 ZINC001020945106 752372175 /nfs/dbraw/zinc/37/21/75/752372175.db2.gz VRJTXJURFVQAKE-JOCQHMNTSA-N 1 1 341.371 0.836 20 30 ECEDMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988619096 752385587 /nfs/dbraw/zinc/38/55/87/752385587.db2.gz FMCXHGSHJMBACA-ZWNOBZJWSA-N 1 1 340.391 0.601 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001059910734 752427006 /nfs/dbraw/zinc/42/70/06/752427006.db2.gz WMJPWIIWFYHMBX-ZFWWWQNUSA-N 1 1 328.420 0.775 20 30 ECEDMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212041570 752434295 /nfs/dbraw/zinc/43/42/95/752434295.db2.gz UYFGHAIOPUHLAG-HZPDHXFCSA-N 1 1 344.415 0.400 20 30 ECEDMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212041570 752434297 /nfs/dbraw/zinc/43/42/97/752434297.db2.gz UYFGHAIOPUHLAG-HZPDHXFCSA-N 1 1 344.415 0.400 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000988654231 752486624 /nfs/dbraw/zinc/48/66/24/752486624.db2.gz LORCMCLMCMSYQS-YPMHNXCESA-N 1 1 342.407 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC000937764640 752517847 /nfs/dbraw/zinc/51/78/47/752517847.db2.gz HBARMOZHGYRYER-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC000937764640 752517852 /nfs/dbraw/zinc/51/78/52/752517852.db2.gz HBARMOZHGYRYER-GJZGRUSLSA-N 1 1 343.431 0.455 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001103470948 752527342 /nfs/dbraw/zinc/52/73/42/752527342.db2.gz OJNAXSCMZDMCRU-MGPQQGTHSA-N 1 1 331.482 0.574 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ocnc2C)[C@@H]1C ZINC000988737972 752641103 /nfs/dbraw/zinc/64/11/03/752641103.db2.gz JVVDWCHWQGKFEZ-ILXRZTDVSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ocnc2C)[C@@H]1C ZINC000988737972 752641105 /nfs/dbraw/zinc/64/11/05/752641105.db2.gz JVVDWCHWQGKFEZ-ILXRZTDVSA-N 1 1 344.415 0.800 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001007640720 752694214 /nfs/dbraw/zinc/69/42/14/752694214.db2.gz MGUNQNQXHBYAQN-XQQFMLRXSA-N 1 1 334.338 0.937 20 30 ECEDMO CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464767 752753160 /nfs/dbraw/zinc/75/31/60/752753160.db2.gz FEPHXWUWEMNITI-CZUORRHYSA-N 1 1 348.472 0.888 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001028468304 752764056 /nfs/dbraw/zinc/76/40/56/752764056.db2.gz SBHXOLGPJJGNPF-BBRMVZONSA-N 1 1 341.415 0.725 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028469529 752766371 /nfs/dbraw/zinc/76/63/71/752766371.db2.gz RVQCPRYTDQRPIX-RYUDHWBXSA-N 1 1 329.404 0.605 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nnn(C)c3C)C2)nn1 ZINC001098645709 752803616 /nfs/dbraw/zinc/80/36/16/752803616.db2.gz UIMIBUCQBVLZER-CQSZACIVSA-N 1 1 344.423 0.468 20 30 ECEDMO C[C@H](c1nncn1C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486722 752807013 /nfs/dbraw/zinc/80/70/13/752807013.db2.gz JSIOTGOGJGIQQL-VXGBXAGGSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@H](c1nncn1C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486722 752807020 /nfs/dbraw/zinc/80/70/20/752807020.db2.gz JSIOTGOGJGIQQL-VXGBXAGGSA-N 1 1 327.392 0.828 20 30 ECEDMO CC(C)N1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028486195 752821564 /nfs/dbraw/zinc/82/15/64/752821564.db2.gz CGGSXRYHOVUQPR-CZUORRHYSA-N 1 1 343.431 0.947 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001028490200 752829831 /nfs/dbraw/zinc/82/98/31/752829831.db2.gz JHCDZAIZWIGBBP-RBUKOAKNSA-N 1 1 341.455 0.807 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)[C@@H](O)C1 ZINC001083459214 752875715 /nfs/dbraw/zinc/87/57/15/752875715.db2.gz AAAYTMIXNXIVBM-IMJJTQAJSA-N 1 1 332.375 0.561 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)no1 ZINC001058999393 752878296 /nfs/dbraw/zinc/87/82/96/752878296.db2.gz UPQUOICUBHGNNK-LBPRGKRZSA-N 1 1 341.375 0.724 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@@]2(C)C1 ZINC000982561162 752897431 /nfs/dbraw/zinc/89/74/31/752897431.db2.gz RNBSKDUTGDZWOP-OHQAAIJDSA-N 1 1 331.460 0.904 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001059931264 752899218 /nfs/dbraw/zinc/89/92/18/752899218.db2.gz OQFKIKSVUZJERB-ZIAGYGMSSA-N 1 1 328.420 0.633 20 30 ECEDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C#N)CN1C(=O)Cn1ncnn1 ZINC000988828788 752942005 /nfs/dbraw/zinc/94/20/05/752942005.db2.gz NACHGCCTUGJCEL-ABAIWWIYSA-N 1 1 343.366 0.463 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC(N)=O)C1 ZINC001007857029 752997049 /nfs/dbraw/zinc/99/70/49/752997049.db2.gz FJSGDTIRUKUUPR-CQSZACIVSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1C ZINC001105845195 762183118 /nfs/dbraw/zinc/18/31/18/762183118.db2.gz BBLISNUOZGQWTP-MGPQQGTHSA-N 1 1 345.447 0.408 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)NCCN(CCOC)c1cncc(C#N)n1 ZINC001126380795 753121073 /nfs/dbraw/zinc/12/10/73/753121073.db2.gz RFNVWHAGKFHVTI-UHFFFAOYSA-N 1 1 348.451 0.649 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCN3CCOCC3)C[C@@]2(C)C1 ZINC000982652781 753223654 /nfs/dbraw/zinc/22/36/54/753223654.db2.gz ZNUFXGPKGHCUEK-KDURUIRLSA-N 1 1 333.476 0.902 20 30 ECEDMO CN1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001051492644 762197380 /nfs/dbraw/zinc/19/73/80/762197380.db2.gz AZJTYGNBJNEYFI-ZWKOTPCHSA-N 1 1 342.443 0.969 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000938105310 753285425 /nfs/dbraw/zinc/28/54/25/753285425.db2.gz XCUKZCXXPVHBTP-LSDHHAIUSA-N 1 1 326.400 0.891 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001008118793 753333981 /nfs/dbraw/zinc/33/39/81/753333981.db2.gz BLAMSEGPYSJWNM-ZDUSSCGKSA-N 1 1 344.423 0.854 20 30 ECEDMO CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1C ZINC001051495225 762207683 /nfs/dbraw/zinc/20/76/83/762207683.db2.gz SKVQPTULMXITRN-STQMWFEESA-N 1 1 334.424 0.415 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC000982706702 753359347 /nfs/dbraw/zinc/35/93/47/753359347.db2.gz XDSXTPGNTMKGHE-CVEARBPZSA-N 1 1 342.443 0.999 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC000982706702 753359353 /nfs/dbraw/zinc/35/93/53/753359353.db2.gz XDSXTPGNTMKGHE-CVEARBPZSA-N 1 1 342.443 0.999 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001051495469 762209026 /nfs/dbraw/zinc/20/90/26/762209026.db2.gz VCQNXCOLVNLTKB-WCQYABFASA-N 1 1 332.408 0.169 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc3n2CCCCC3)C1 ZINC001051495777 762209388 /nfs/dbraw/zinc/20/93/88/762209388.db2.gz YAHNVJNJIVZVJJ-ZIAGYGMSSA-N 1 1 346.435 0.481 20 30 ECEDMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1=O ZINC001028583513 753405389 /nfs/dbraw/zinc/40/53/89/753405389.db2.gz WLBIONNBDHLGFB-DLBZAZTESA-N 1 1 340.427 0.975 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982782673 753556866 /nfs/dbraw/zinc/55/68/66/753556866.db2.gz PJKRMFIJBNFPJZ-XWIAVFTESA-N 1 1 348.447 0.721 20 30 ECEDMO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982783335 753559165 /nfs/dbraw/zinc/55/91/65/753559165.db2.gz UOTDWWCCEXFFMM-AFAVFJNCSA-N 1 1 334.420 0.331 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)cc1 ZINC001083355783 753660337 /nfs/dbraw/zinc/66/03/37/753660337.db2.gz NNKUKYDVLSKGRK-CVEARBPZSA-N 1 1 342.355 0.552 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)cc1 ZINC001083355783 753660339 /nfs/dbraw/zinc/66/03/39/753660339.db2.gz NNKUKYDVLSKGRK-CVEARBPZSA-N 1 1 342.355 0.552 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1F ZINC001008376041 753675406 /nfs/dbraw/zinc/67/54/06/753675406.db2.gz RFMXWQIKHQAYLF-UKRRQHHQSA-N 1 1 345.378 0.459 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1F ZINC001008376041 753675410 /nfs/dbraw/zinc/67/54/10/753675410.db2.gz RFMXWQIKHQAYLF-UKRRQHHQSA-N 1 1 345.378 0.459 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC001088674305 753678131 /nfs/dbraw/zinc/67/81/31/753678131.db2.gz FHANXADNUHBXIJ-PWSUYJOCSA-N 1 1 327.406 0.696 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3cncnc3CC)C2)nn1 ZINC001105372820 753682490 /nfs/dbraw/zinc/68/24/90/753682490.db2.gz YOTSQJPYIWVAAO-UHFFFAOYSA-N 1 1 341.419 0.993 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COc3cc(C)on3)C2)nn1 ZINC001098682946 753685944 /nfs/dbraw/zinc/68/59/44/753685944.db2.gz LGWSMVQILZGOAY-CQSZACIVSA-N 1 1 346.391 0.703 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 ZINC001098683260 753694446 /nfs/dbraw/zinc/69/44/46/753694446.db2.gz VPTHCXLUQVKAKM-JKSUJKDBSA-N 1 1 345.451 0.539 20 30 ECEDMO C=C(Br)CN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083368015 753701761 /nfs/dbraw/zinc/70/17/61/753701761.db2.gz AGACWUGKVCRIGR-UTUOFQBUSA-N 1 1 332.242 0.151 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCOC3)[C@@H](O)C2)cc1 ZINC001083368360 753703379 /nfs/dbraw/zinc/70/33/79/753703379.db2.gz KXICGOTUPBTPFL-ZACQAIPSSA-N 1 1 329.400 0.646 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCOC3)[C@@H](O)C2)cc1 ZINC001083368360 753703381 /nfs/dbraw/zinc/70/33/81/753703381.db2.gz KXICGOTUPBTPFL-ZACQAIPSSA-N 1 1 329.400 0.646 20 30 ECEDMO C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)CCc1c[nH]nn1)CCO2 ZINC001105482120 753713480 /nfs/dbraw/zinc/71/34/80/753713480.db2.gz UTQKHBQBBRCIAS-UHFFFAOYSA-N 1 1 345.447 0.890 20 30 ECEDMO C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)CCc1cnn[nH]1)CCO2 ZINC001105482120 753713484 /nfs/dbraw/zinc/71/34/84/753713484.db2.gz UTQKHBQBBRCIAS-UHFFFAOYSA-N 1 1 345.447 0.890 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC001008467268 753769710 /nfs/dbraw/zinc/76/97/10/753769710.db2.gz CMKJIMQACORBAI-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCN(C)C3=O)C2)c1 ZINC001008467268 753769716 /nfs/dbraw/zinc/76/97/16/753769716.db2.gz CMKJIMQACORBAI-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001105558586 753829431 /nfs/dbraw/zinc/82/94/31/753829431.db2.gz YLJQHXOLXNQDTM-SWLSCSKDSA-N 1 1 330.436 0.749 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001008507632 753831558 /nfs/dbraw/zinc/83/15/58/753831558.db2.gz HHWTUCSYKOZTIE-YESZJQIVSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@@]2(C)C1 ZINC000982816954 753840479 /nfs/dbraw/zinc/84/04/79/753840479.db2.gz MXAMFHNSIVLUQK-NXHRZFHOSA-N 1 1 333.432 0.037 20 30 ECEDMO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccnc3C(N)=O)C[C@@]2(C)C1 ZINC000982817239 753841040 /nfs/dbraw/zinc/84/10/40/753841040.db2.gz PKVCXXLYJJFCND-HDICACEKSA-N 1 1 326.400 0.598 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@]2(C)C1 ZINC000982817259 753841143 /nfs/dbraw/zinc/84/11/43/753841143.db2.gz PPDGSRGKYJEZDH-CWRNSKLLSA-N 1 1 341.477 0.425 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@@]2(C)C1 ZINC000982818160 753846501 /nfs/dbraw/zinc/84/65/01/753846501.db2.gz YKEJZWHFCYHODN-YTQUADARSA-N 1 1 347.459 0.427 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000982819800 753853029 /nfs/dbraw/zinc/85/30/29/753853029.db2.gz IWHCPLLSADUQOA-UMVBOHGHSA-N 1 1 343.431 0.805 20 30 ECEDMO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583368 753865685 /nfs/dbraw/zinc/86/56/85/753865685.db2.gz VUPSXRWYSYTPBT-CABCVRRESA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nc(C)no2)C1 ZINC001028601439 753881547 /nfs/dbraw/zinc/88/15/47/753881547.db2.gz OHXBSNNCCBPWHB-CABCVRRESA-N 1 1 331.420 0.414 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nc(C)no2)C1 ZINC001028601439 753881551 /nfs/dbraw/zinc/88/15/51/753881551.db2.gz OHXBSNNCCBPWHB-CABCVRRESA-N 1 1 331.420 0.414 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000982838845 753929644 /nfs/dbraw/zinc/92/96/44/753929644.db2.gz OCTPAJXXUQPDLE-PMPSAXMXSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000982838845 753929649 /nfs/dbraw/zinc/92/96/49/753929649.db2.gz OCTPAJXXUQPDLE-PMPSAXMXSA-N 1 1 333.432 0.085 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccns2)C1 ZINC000982841763 753951322 /nfs/dbraw/zinc/95/13/22/753951322.db2.gz VAXILMHMSFYKTQ-KGLIPLIRSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccns2)C1 ZINC000982841763 753951327 /nfs/dbraw/zinc/95/13/27/753951327.db2.gz VAXILMHMSFYKTQ-KGLIPLIRSA-N 1 1 346.456 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1cncc(C#N)n1 ZINC001105599224 753971291 /nfs/dbraw/zinc/97/12/91/753971291.db2.gz OXMHELBZBDBQIO-HNNXBMFYSA-N 1 1 326.404 0.340 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1cncc(C#N)n1 ZINC001105599224 753971296 /nfs/dbraw/zinc/97/12/96/753971296.db2.gz OXMHELBZBDBQIO-HNNXBMFYSA-N 1 1 326.404 0.340 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCOCC3)C[C@@]2(C)C1 ZINC000982854101 754002283 /nfs/dbraw/zinc/00/22/83/754002283.db2.gz KECNMOGHGNWWTQ-YTQUADARSA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)COCCCC)C[C@]2(C)C1 ZINC001101185617 762258951 /nfs/dbraw/zinc/25/89/51/762258951.db2.gz IWNXONHJIHCBHJ-MDZRGWNJSA-N 1 1 349.475 0.721 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@]3(C)CCOC3)CC2)C1=O ZINC000982872478 754046230 /nfs/dbraw/zinc/04/62/30/754046230.db2.gz VMXUHTSCEALGNJ-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@]3(C)CCOC3)CC2)C1=O ZINC000982872478 754046234 /nfs/dbraw/zinc/04/62/34/754046234.db2.gz VMXUHTSCEALGNJ-YJBOKZPZSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nncs3)C[C@H]2C)nn1 ZINC000989536038 754079438 /nfs/dbraw/zinc/07/94/38/754079438.db2.gz IBJVRKYVHFVFBZ-GHMZBOCLSA-N 1 1 333.421 0.708 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001028647088 754180572 /nfs/dbraw/zinc/18/05/72/754180572.db2.gz DYXODDUEZWFGOH-VXGBXAGGSA-N 1 1 344.253 0.859 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001028647088 754180574 /nfs/dbraw/zinc/18/05/74/754180574.db2.gz DYXODDUEZWFGOH-VXGBXAGGSA-N 1 1 344.253 0.859 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2nocc2C)C1 ZINC000982919843 754194841 /nfs/dbraw/zinc/19/48/41/754194841.db2.gz AKOVTYRNVNKCOC-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2nocc2C)C1 ZINC000982919843 754194842 /nfs/dbraw/zinc/19/48/42/754194842.db2.gz AKOVTYRNVNKCOC-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cccnn2)C1 ZINC000982922635 754204165 /nfs/dbraw/zinc/20/41/65/754204165.db2.gz MPYCZOYZAYASPC-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cccnn2)C1 ZINC000982922635 754204170 /nfs/dbraw/zinc/20/41/70/754204170.db2.gz MPYCZOYZAYASPC-HOCLYGCPSA-N 1 1 341.415 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC000982923536 754205976 /nfs/dbraw/zinc/20/59/76/754205976.db2.gz PVQAHDJGNGSASX-ZBFHGGJFSA-N 1 1 328.416 0.691 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC000982923536 754205983 /nfs/dbraw/zinc/20/59/83/754205983.db2.gz PVQAHDJGNGSASX-ZBFHGGJFSA-N 1 1 328.416 0.691 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H]1C ZINC001088693109 754309765 /nfs/dbraw/zinc/30/97/65/754309765.db2.gz LWCKCXFMLNXTET-OLZOCXBDSA-N 1 1 328.376 0.535 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2C)n1 ZINC001105867487 762291834 /nfs/dbraw/zinc/29/18/34/762291834.db2.gz XFCZEMUTMYEYNI-CYBMUJFWSA-N 1 1 343.391 0.005 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028659082 754379542 /nfs/dbraw/zinc/37/95/42/754379542.db2.gz NSNGNSGZPBWKEC-NSHDSACASA-N 1 1 327.406 0.555 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4ccn(C)c4)[C@@H]3C2)C1=O ZINC001075686030 754403987 /nfs/dbraw/zinc/40/39/87/754403987.db2.gz AUEGSOAGFBZTIM-USXIJHARSA-N 1 1 342.443 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000983052389 754512599 /nfs/dbraw/zinc/51/25/99/754512599.db2.gz TZGHPNZFLRWIIP-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO CC#CCNCc1cn(C2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC001105377268 754520149 /nfs/dbraw/zinc/52/01/49/754520149.db2.gz XAFIQQLGCYKMCB-GASCZTMLSA-N 1 1 344.463 0.647 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001028673060 754573904 /nfs/dbraw/zinc/57/39/04/754573904.db2.gz SJMYBXPAHICXLH-CHWSQXEVSA-N 1 1 328.844 0.968 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001028673060 754573905 /nfs/dbraw/zinc/57/39/05/754573905.db2.gz SJMYBXPAHICXLH-CHWSQXEVSA-N 1 1 328.844 0.968 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000990001771 754636231 /nfs/dbraw/zinc/63/62/31/754636231.db2.gz NGAXIYVBHYEWQV-GUTXKFCHSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccoc3)C[C@H]21 ZINC001009193446 754637404 /nfs/dbraw/zinc/63/74/04/754637404.db2.gz SZOVZYYMFSHZSH-NXOAAHMSSA-N 1 1 341.411 0.811 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccoc3)C[C@H]21 ZINC001009193446 754637408 /nfs/dbraw/zinc/63/74/08/754637408.db2.gz SZOVZYYMFSHZSH-NXOAAHMSSA-N 1 1 341.411 0.811 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C=C(C)C)C[C@H]21 ZINC001009194525 754637961 /nfs/dbraw/zinc/63/79/61/754637961.db2.gz WUJVEVPKBAETHP-NXOAAHMSSA-N 1 1 329.444 0.871 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C=C(C)C)C[C@H]21 ZINC001009194525 754637964 /nfs/dbraw/zinc/63/79/64/754637964.db2.gz WUJVEVPKBAETHP-NXOAAHMSSA-N 1 1 329.444 0.871 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCN3CCCC3=O)C2)cn1 ZINC001009273172 754730199 /nfs/dbraw/zinc/73/01/99/754730199.db2.gz DGBARYBSYJIOCI-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)cn1 ZINC001009273172 754730206 /nfs/dbraw/zinc/73/02/06/754730206.db2.gz DGBARYBSYJIOCI-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001009346488 754794590 /nfs/dbraw/zinc/79/45/90/754794590.db2.gz LKSWKTVXKFVNKK-HOCLYGCPSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3[nH]cnc3C)C2)C1=O ZINC001009346488 754794593 /nfs/dbraw/zinc/79/45/93/754794593.db2.gz LKSWKTVXKFVNKK-HOCLYGCPSA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001028713421 754803469 /nfs/dbraw/zinc/80/34/69/754803469.db2.gz KWQJGGRWGAUCFU-CYBMUJFWSA-N 1 1 327.392 0.685 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001028714657 754807845 /nfs/dbraw/zinc/80/78/45/754807845.db2.gz VFTCXEGDHRZQTD-ZDUSSCGKSA-N 1 1 327.388 0.406 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3coc(OC)n3)C2)C1=O ZINC001028716664 754821284 /nfs/dbraw/zinc/82/12/84/754821284.db2.gz DAZXNHCHENMFDF-TZMCWYRMSA-N 1 1 348.403 0.522 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001009409008 754854617 /nfs/dbraw/zinc/85/46/17/754854617.db2.gz JIYYHKLDYACZGS-LSDHHAIUSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001009409008 754854624 /nfs/dbraw/zinc/85/46/24/754854624.db2.gz JIYYHKLDYACZGS-LSDHHAIUSA-N 1 1 344.415 0.768 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990252144 754879234 /nfs/dbraw/zinc/87/92/34/754879234.db2.gz PUDKMCQNGZPTEK-JKIFEVAISA-N 1 1 329.404 0.877 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001028733415 754904946 /nfs/dbraw/zinc/90/49/46/754904946.db2.gz XEZYUUHTWOSQCV-ZBFHGGJFSA-N 1 1 339.395 0.525 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)cc1F ZINC001028734790 754909986 /nfs/dbraw/zinc/90/99/86/754909986.db2.gz CINGDCWWXFOWLJ-HIFRSBDPSA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)c[nH]1 ZINC000990287654 754924741 /nfs/dbraw/zinc/92/47/41/754924741.db2.gz IXEFPQKRNMOZJQ-NVXWUHKLSA-N 1 1 339.403 0.905 20 30 ECEDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990290441 754928894 /nfs/dbraw/zinc/92/88/94/754928894.db2.gz WTGCEKHEMIXEBL-CPUCHLNUSA-N 1 1 329.404 0.877 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2oncc2C)C1 ZINC000983229016 754929225 /nfs/dbraw/zinc/92/92/25/754929225.db2.gz CJHMNEBYCLHFOZ-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2oncc2C)C1 ZINC000983229016 754929227 /nfs/dbraw/zinc/92/92/27/754929227.db2.gz CJHMNEBYCLHFOZ-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H]2CCCNC2=O)CC3)[nH]1 ZINC000990276567 754931888 /nfs/dbraw/zinc/93/18/88/754931888.db2.gz MNBAFPGSZUEXPN-MPGHIAIKSA-N 1 1 341.415 0.892 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001059106877 754981333 /nfs/dbraw/zinc/98/13/33/754981333.db2.gz WBIZYBPXJQHNDN-HOCLYGCPSA-N 1 1 338.415 0.767 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001059106877 754981336 /nfs/dbraw/zinc/98/13/36/754981336.db2.gz WBIZYBPXJQHNDN-HOCLYGCPSA-N 1 1 338.415 0.767 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC000983251446 754992769 /nfs/dbraw/zinc/99/27/69/754992769.db2.gz NNLPPBPKWQUCCQ-JSGCOSHPSA-N 1 1 347.394 0.225 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC000983251446 754992773 /nfs/dbraw/zinc/99/27/73/754992773.db2.gz NNLPPBPKWQUCCQ-JSGCOSHPSA-N 1 1 347.394 0.225 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3ncccc3C#N)C2)O1 ZINC001059108964 755033413 /nfs/dbraw/zinc/03/34/13/755033413.db2.gz RMPVHWLUHKWAOJ-VHDGCEQUSA-N 1 1 329.404 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](Nc3ncccc3C#N)C2)O1 ZINC001059108964 755033417 /nfs/dbraw/zinc/03/34/17/755033417.db2.gz RMPVHWLUHKWAOJ-VHDGCEQUSA-N 1 1 329.404 0.685 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)cc1F ZINC001028773436 755060827 /nfs/dbraw/zinc/06/08/27/755060827.db2.gz MAUBRBKJFDRHEC-DOMZBBRYSA-N 1 1 345.378 0.317 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(CCn3cccn3)C2)CC1 ZINC001009627843 755087744 /nfs/dbraw/zinc/08/77/44/755087744.db2.gz OGUIFDHDFHWKGI-SFHVURJKSA-N 1 1 343.475 0.809 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)c1 ZINC001028792899 755141567 /nfs/dbraw/zinc/14/15/67/755141567.db2.gz OXJAAOLULQARDD-HNNXBMFYSA-N 1 1 341.415 0.140 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNc3cncc(C#N)n3)C2)C1 ZINC001060034443 755159762 /nfs/dbraw/zinc/15/97/62/755159762.db2.gz IYGJZHUDAFRWGP-KBPBESRZSA-N 1 1 328.420 0.950 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001028801750 755165535 /nfs/dbraw/zinc/16/55/35/755165535.db2.gz CNWFWWFBPCLHEG-CQSZACIVSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3[nH]nnc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105647620 755173570 /nfs/dbraw/zinc/17/35/70/755173570.db2.gz SJZZUNRUKXKKPK-DEICHXMPSA-N 1 1 345.447 0.716 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C ZINC001088725559 755277175 /nfs/dbraw/zinc/27/71/75/755277175.db2.gz XBICACYNMRVEEB-KGLIPLIRSA-N 1 1 332.404 0.106 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](CC3CCOCC3)C2)nn1 ZINC001028852306 755310160 /nfs/dbraw/zinc/31/01/60/755310160.db2.gz IUHYVCCKHGXKIE-OAHLLOKOSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nccnc3C)C2)nn1 ZINC001028852531 755311267 /nfs/dbraw/zinc/31/12/67/755311267.db2.gz KKXGBBXUZYOKKF-CQSZACIVSA-N 1 1 341.419 0.814 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3c(C)n[nH]c3C)C2)C1=O ZINC001028872754 755354186 /nfs/dbraw/zinc/35/41/86/755354186.db2.gz JFODRYSSHVEQSE-CABCVRRESA-N 1 1 345.447 0.865 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001028898401 755430359 /nfs/dbraw/zinc/43/03/59/755430359.db2.gz CGWYNTSATHXQOZ-CABCVRRESA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001028918606 755477359 /nfs/dbraw/zinc/47/73/59/755477359.db2.gz JPVZNSOLDOHIGT-KGLIPLIRSA-N 1 1 346.431 0.962 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)no1 ZINC000990702831 755653229 /nfs/dbraw/zinc/65/32/29/755653229.db2.gz DWEJYTJBKHKGHS-UHFFFAOYSA-N 1 1 342.359 0.190 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)[C@@H](O)C1 ZINC001083489888 755678878 /nfs/dbraw/zinc/67/88/78/755678878.db2.gz CYFMDVWJZVSXHH-MNOVXSKESA-N 1 1 332.326 0.790 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C2 ZINC001098171336 755715609 /nfs/dbraw/zinc/71/56/09/755715609.db2.gz ABFJOQRUMKNUDY-FPCVCCKLSA-N 1 1 338.473 0.946 20 30 ECEDMO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C2 ZINC001098171336 755715614 /nfs/dbraw/zinc/71/56/14/755715614.db2.gz ABFJOQRUMKNUDY-FPCVCCKLSA-N 1 1 338.473 0.946 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088795994 755717207 /nfs/dbraw/zinc/71/72/07/755717207.db2.gz SXOIPZITQSZISD-PVAVHDDUSA-N 1 1 340.427 0.641 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088795994 755717212 /nfs/dbraw/zinc/71/72/12/755717212.db2.gz SXOIPZITQSZISD-PVAVHDDUSA-N 1 1 340.427 0.641 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088795569 755717851 /nfs/dbraw/zinc/71/78/51/755717851.db2.gz HKGYOSGTDPHSLC-UHOFOFEASA-N 1 1 341.415 0.661 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)c1 ZINC000990720604 755751978 /nfs/dbraw/zinc/75/19/78/755751978.db2.gz BTCJSRHOVZOMOD-GDBMZVCRSA-N 1 1 341.415 0.844 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cc(OC)ccc32)[C@@H](O)C1 ZINC001083509225 755780530 /nfs/dbraw/zinc/78/05/30/755780530.db2.gz VLRPUGOJBKPUHZ-KURKYZTESA-N 1 1 328.412 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001010224288 755838838 /nfs/dbraw/zinc/83/88/38/755838838.db2.gz XOXUBMIEPZUHNQ-DZGCQCFKSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn(C)c3C)C2)C1=O ZINC001010224288 755838843 /nfs/dbraw/zinc/83/88/43/755838843.db2.gz XOXUBMIEPZUHNQ-DZGCQCFKSA-N 1 1 331.420 0.320 20 30 ECEDMO CC(C)[C@H]1N(C(=O)C[N@@H+](C)C(C)C)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2 ZINC001105675948 755842078 /nfs/dbraw/zinc/84/20/78/755842078.db2.gz SGPHNPAVCCVLRQ-JOCBIADPSA-N 1 1 336.480 0.816 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 ZINC000990761173 755844896 /nfs/dbraw/zinc/84/48/96/755844896.db2.gz IALJQGYBCLTENG-DYVFJYSZSA-N 1 1 346.435 0.456 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)C1=O ZINC001010266889 755909622 /nfs/dbraw/zinc/90/96/22/755909622.db2.gz HOSXDQBLANTEHV-HIFRSBDPSA-N 1 1 329.400 0.983 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)C1=O ZINC001010266889 755909625 /nfs/dbraw/zinc/90/96/25/755909625.db2.gz HOSXDQBLANTEHV-HIFRSBDPSA-N 1 1 329.400 0.983 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)OCCCO3)[C@@H](O)C1 ZINC001083525258 755911956 /nfs/dbraw/zinc/91/19/56/755911956.db2.gz HRPAKYHKCAACIF-CABCVRRESA-N 1 1 330.384 0.646 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)[C@@H](O)C1 ZINC001083537410 755981734 /nfs/dbraw/zinc/98/17/34/755981734.db2.gz URGOXDAHOPVKRB-NCOADZHNSA-N 1 1 346.431 0.072 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)[C@@H](O)C1 ZINC001083537410 755981737 /nfs/dbraw/zinc/98/17/37/755981737.db2.gz URGOXDAHOPVKRB-NCOADZHNSA-N 1 1 346.431 0.072 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)C1=O ZINC001010358918 756039261 /nfs/dbraw/zinc/03/92/61/756039261.db2.gz SQIZDUWDAVZCGL-UONOGXRCSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)C1=O ZINC001010358918 756039265 /nfs/dbraw/zinc/03/92/65/756039265.db2.gz SQIZDUWDAVZCGL-UONOGXRCSA-N 1 1 332.379 0.812 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)[C@@H](O)C1 ZINC001083541521 756049857 /nfs/dbraw/zinc/04/98/57/756049857.db2.gz LCSAXQYYIFLRSW-KGLIPLIRSA-N 1 1 331.372 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC001010374763 756055875 /nfs/dbraw/zinc/05/58/75/756055875.db2.gz NVVJPEKXNQQBRJ-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC001010374763 756055880 /nfs/dbraw/zinc/05/58/80/756055880.db2.gz NVVJPEKXNQQBRJ-KRWDZBQOSA-N 1 1 340.427 0.772 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[C@H]1CCOC1 ZINC001076105914 756091558 /nfs/dbraw/zinc/09/15/58/756091558.db2.gz RYWXUJPYDTZXMF-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[C@H]1CCOC1 ZINC001076105914 756091563 /nfs/dbraw/zinc/09/15/63/756091563.db2.gz RYWXUJPYDTZXMF-ULQDDVLXSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cncc(C)c3)C2)C1=O ZINC001010427633 756124400 /nfs/dbraw/zinc/12/44/00/756124400.db2.gz JWYYWKQOXXACSK-HOTGVXAUSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cncc(C)c3)C2)C1=O ZINC001010427633 756124403 /nfs/dbraw/zinc/12/44/03/756124403.db2.gz JWYYWKQOXXACSK-HOTGVXAUSA-N 1 1 328.416 0.981 20 30 ECEDMO COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)cc1C#N ZINC001076198900 756194820 /nfs/dbraw/zinc/19/48/20/756194820.db2.gz SMFHUEBEYQUPOS-GXTWGEPZSA-N 1 1 328.372 0.085 20 30 ECEDMO COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)cc1C#N ZINC001076198900 756194823 /nfs/dbraw/zinc/19/48/23/756194823.db2.gz SMFHUEBEYQUPOS-GXTWGEPZSA-N 1 1 328.372 0.085 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001010540688 756221541 /nfs/dbraw/zinc/22/15/41/756221541.db2.gz BBMZAXDOVMYAIV-UONOGXRCSA-N 1 1 330.388 0.378 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001010540688 756221547 /nfs/dbraw/zinc/22/15/47/756221547.db2.gz BBMZAXDOVMYAIV-UONOGXRCSA-N 1 1 330.388 0.378 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)s1 ZINC001076248828 756266607 /nfs/dbraw/zinc/26/66/07/756266607.db2.gz GFEMUOPJABUPST-OADPDTJPSA-N 1 1 344.440 0.774 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)s1 ZINC001076248828 756266609 /nfs/dbraw/zinc/26/66/09/756266609.db2.gz GFEMUOPJABUPST-OADPDTJPSA-N 1 1 344.440 0.774 20 30 ECEDMO CC1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001010651328 756352018 /nfs/dbraw/zinc/35/20/18/756352018.db2.gz QDXOFQCYHSHLOH-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO CC1CCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001010651328 756352024 /nfs/dbraw/zinc/35/20/24/756352024.db2.gz QDXOFQCYHSHLOH-OAHLLOKOSA-N 1 1 343.431 0.949 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)[nH]1 ZINC001010657224 756359522 /nfs/dbraw/zinc/35/95/22/756359522.db2.gz ONGAWAIGYXICCP-STQMWFEESA-N 1 1 325.376 0.469 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)c[nH]1 ZINC001010672311 756379263 /nfs/dbraw/zinc/37/92/63/756379263.db2.gz VTLOSBJIMUQODS-HNNXBMFYSA-N 1 1 337.383 0.990 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001010685381 756395241 /nfs/dbraw/zinc/39/52/41/756395241.db2.gz VEWMTOXTXYLUOO-RRFJBIMHSA-N 1 1 332.448 0.937 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001010690806 756402968 /nfs/dbraw/zinc/40/29/68/756402968.db2.gz POLZMIMJWHDZCL-CQSZACIVSA-N 1 1 327.392 0.599 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001010744684 756472656 /nfs/dbraw/zinc/47/26/56/756472656.db2.gz MQVXEEWSKXULLQ-HNNXBMFYSA-N 1 1 348.447 0.319 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051612805 762470136 /nfs/dbraw/zinc/47/01/36/762470136.db2.gz UPIVKRNMRQWVIT-AWEZNQCLSA-N 1 1 346.435 0.159 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1 ZINC001010844900 756595378 /nfs/dbraw/zinc/59/53/78/756595378.db2.gz WBMPCIBQKGGIHW-ZFWWWQNUSA-N 1 1 344.371 0.388 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ccnn3C)C2)nn1 ZINC001098663553 756605644 /nfs/dbraw/zinc/60/56/44/756605644.db2.gz GCVBSBDUELIMOC-OAHLLOKOSA-N 1 1 329.408 0.303 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1c1ccc(C#N)nn1 ZINC001060123328 756608373 /nfs/dbraw/zinc/60/83/73/756608373.db2.gz HRTLFHDASIAQBQ-CABCVRRESA-N 1 1 328.420 0.918 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1c1ccc(C#N)nn1 ZINC001060123334 756609829 /nfs/dbraw/zinc/60/98/29/756609829.db2.gz HRTLFHDASIAQBQ-LSDHHAIUSA-N 1 1 328.420 0.918 20 30 ECEDMO COC1CC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083550956 756727832 /nfs/dbraw/zinc/72/78/32/756727832.db2.gz LLCSLRMJVUXGQY-BACDZXNISA-N 1 1 329.400 0.645 20 30 ECEDMO COC1CC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083550956 756727834 /nfs/dbraw/zinc/72/78/34/756727834.db2.gz LLCSLRMJVUXGQY-BACDZXNISA-N 1 1 329.400 0.645 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ncccc2C#N)C1 ZINC001060129907 756825549 /nfs/dbraw/zinc/82/55/49/756825549.db2.gz XOOIAQGUWTVXDR-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ncccc2C#N)C1 ZINC001060129907 756825557 /nfs/dbraw/zinc/82/55/57/756825557.db2.gz XOOIAQGUWTVXDR-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3[nH]nnc3C)CC2(C)C)C1=O ZINC000996117994 756983801 /nfs/dbraw/zinc/98/38/01/756983801.db2.gz HPFPAHRFIIBZPU-QWHCGFSZSA-N 1 1 346.435 0.340 20 30 ECEDMO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c1 ZINC001076778151 757073193 /nfs/dbraw/zinc/07/31/93/757073193.db2.gz SNVLLSJANXYLBU-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)c1 ZINC001076778151 757073199 /nfs/dbraw/zinc/07/31/99/757073199.db2.gz SNVLLSJANXYLBU-IAGOWNOFSA-N 1 1 339.399 0.425 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@@H]2C1 ZINC001048813566 757077204 /nfs/dbraw/zinc/07/72/04/757077204.db2.gz PTVAREPPZWHEEF-JZXOWHBKSA-N 1 1 341.455 0.943 20 30 ECEDMO COc1cncc(C[N@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048813367 757077761 /nfs/dbraw/zinc/07/77/61/757077761.db2.gz OYDQSUIIQPZCJF-GASCZTMLSA-N 1 1 326.400 0.789 20 30 ECEDMO COc1cncc(C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048813367 757077771 /nfs/dbraw/zinc/07/77/71/757077771.db2.gz OYDQSUIIQPZCJF-GASCZTMLSA-N 1 1 326.400 0.789 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048825615 757119073 /nfs/dbraw/zinc/11/90/73/757119073.db2.gz BEAHDHCQPOVOSL-TWMKSMIVSA-N 1 1 345.447 0.650 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001048827007 757122704 /nfs/dbraw/zinc/12/27/04/757122704.db2.gz RELHMSYMGIPXQV-TWMKSMIVSA-N 1 1 347.459 0.590 20 30 ECEDMO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048828175 757124789 /nfs/dbraw/zinc/12/47/89/757124789.db2.gz HTCXSBIUBMLFTM-ILXRZTDVSA-N 1 1 335.448 0.160 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@H]3C2)s1 ZINC001048842759 757153991 /nfs/dbraw/zinc/15/39/91/757153991.db2.gz IFLOHUCILGWDEJ-BETUJISGSA-N 1 1 342.428 0.802 20 30 ECEDMO C#CCCCC(=O)NCc1cn(C2C[NH+](CCCCOC)C2)nn1 ZINC001107165530 757179012 /nfs/dbraw/zinc/17/90/12/757179012.db2.gz WJMSAYNKPCBOEZ-UHFFFAOYSA-N 1 1 333.436 0.981 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCc1cn(C2C[NH+](CCCF)C2)nn1 ZINC001107163780 757196915 /nfs/dbraw/zinc/19/69/15/757196915.db2.gz AYFYBUYHAVCTAP-HNNXBMFYSA-N 1 1 325.388 0.438 20 30 ECEDMO C#CCOCCC(=O)NCc1cn(C2C[NH+](CCCOCC)C2)nn1 ZINC001107169293 757205357 /nfs/dbraw/zinc/20/53/57/757205357.db2.gz AUJFYTXMHSTVAP-UHFFFAOYSA-N 1 1 349.435 0.218 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001011217269 757206946 /nfs/dbraw/zinc/20/69/46/757206946.db2.gz PIAKQOSFSBIISL-CRAIPNDOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001011217269 757206952 /nfs/dbraw/zinc/20/69/52/757206952.db2.gz PIAKQOSFSBIISL-CRAIPNDOSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCC(CC=C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001048874278 757253936 /nfs/dbraw/zinc/25/39/36/757253936.db2.gz VQWGGLCOODLYFF-ULQDDVLXSA-N 1 1 349.475 0.737 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@]12C[C@H]1COC2 ZINC001076855417 757396434 /nfs/dbraw/zinc/39/64/34/757396434.db2.gz SXACWCFRDFJZMV-XSWJXKHESA-N 1 1 333.432 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@]12C[C@H]1COC2 ZINC001076855417 757396445 /nfs/dbraw/zinc/39/64/45/757396445.db2.gz SXACWCFRDFJZMV-XSWJXKHESA-N 1 1 333.432 0.132 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@H]2O)c1 ZINC001076855958 757399672 /nfs/dbraw/zinc/39/96/72/757399672.db2.gz UPILEEORKOMXDU-IXDOHACOSA-N 1 1 346.431 0.602 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1 ZINC001021429936 757431353 /nfs/dbraw/zinc/43/13/53/757431353.db2.gz WZWFXIPGBYDGSR-HEHGZKQESA-N 1 1 341.415 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC(C)(F)F)CC1 ZINC001011314838 757491264 /nfs/dbraw/zinc/49/12/64/757491264.db2.gz NROTTZBAQLXDNF-ZDUSSCGKSA-N 1 1 327.375 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC(C)(F)F)CC1 ZINC001011314838 757491269 /nfs/dbraw/zinc/49/12/69/757491269.db2.gz NROTTZBAQLXDNF-ZDUSSCGKSA-N 1 1 327.375 0.800 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@H]2C1 ZINC001048952814 757499436 /nfs/dbraw/zinc/49/94/36/757499436.db2.gz QKLGINIPKOTYMZ-GUTXKFCHSA-N 1 1 329.404 0.332 20 30 ECEDMO Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001076898561 757517964 /nfs/dbraw/zinc/51/79/64/757517964.db2.gz PFHRUVSQWAYKKO-HUUCEWRRSA-N 1 1 345.428 0.669 20 30 ECEDMO Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001076898561 757517971 /nfs/dbraw/zinc/51/79/71/757517971.db2.gz PFHRUVSQWAYKKO-HUUCEWRRSA-N 1 1 345.428 0.669 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@H]2C1 ZINC001048961187 757524004 /nfs/dbraw/zinc/52/40/04/757524004.db2.gz VGHIANXKPJICOW-QLFBSQMISA-N 1 1 341.402 0.366 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)c[nH]1 ZINC001076907451 757565542 /nfs/dbraw/zinc/56/55/42/757565542.db2.gz PIUJRZRLPZMZIU-JHJVBQTASA-N 1 1 340.330 0.085 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)c[nH]1 ZINC001076907451 757565549 /nfs/dbraw/zinc/56/55/49/757565549.db2.gz PIUJRZRLPZMZIU-JHJVBQTASA-N 1 1 340.330 0.085 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC001021552803 757596817 /nfs/dbraw/zinc/59/68/17/757596817.db2.gz BNHSZAOMJVXXAG-UKRRQHHQSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(CCOC)nn2)C1 ZINC001021585326 757643266 /nfs/dbraw/zinc/64/32/66/757643266.db2.gz RDNPWTNPTMKCQL-RDJZCZTQSA-N 1 1 345.447 0.874 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC001021591928 757655281 /nfs/dbraw/zinc/65/52/81/757655281.db2.gz ZDDJLODDOBPJJF-HYVNUMGLSA-N 1 1 329.444 0.801 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 ZINC001021596175 757664257 /nfs/dbraw/zinc/66/42/57/757664257.db2.gz HOXJHPSDLJZRJM-HIFRSBDPSA-N 1 1 326.462 0.920 20 30 ECEDMO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076937039 757672804 /nfs/dbraw/zinc/67/28/04/757672804.db2.gz WDUKXMOTJUQNMY-HZPDHXFCSA-N 1 1 339.399 0.750 20 30 ECEDMO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076937039 757672809 /nfs/dbraw/zinc/67/28/09/757672809.db2.gz WDUKXMOTJUQNMY-HZPDHXFCSA-N 1 1 339.399 0.750 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCOCC2=O)C1 ZINC001021604835 757678049 /nfs/dbraw/zinc/67/80/49/757678049.db2.gz HAPZWQODXWFSCP-HOTGVXAUSA-N 1 1 333.432 0.181 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)c3ccnc4c3nnn4C)C[C@H]2C1 ZINC001049009229 757683684 /nfs/dbraw/zinc/68/36/84/757683684.db2.gz ABWOIYNCFCSJSQ-BETUJISGSA-N 1 1 326.404 0.943 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001021620089 757693189 /nfs/dbraw/zinc/69/31/89/757693189.db2.gz PFFSCMMVPQSPPL-LSDHHAIUSA-N 1 1 333.436 0.471 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ccc(C#N)nc2)C1 ZINC001107211157 757698795 /nfs/dbraw/zinc/69/87/95/757698795.db2.gz SPWIDGSSQRVYRK-QGZUEGPWSA-N 1 1 329.404 0.758 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2ccc(C#N)nc2)C1 ZINC001107211157 757698801 /nfs/dbraw/zinc/69/88/01/757698801.db2.gz SPWIDGSSQRVYRK-QGZUEGPWSA-N 1 1 329.404 0.758 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C(N)=O)cn2C)C1 ZINC001021623740 757701720 /nfs/dbraw/zinc/70/17/20/757701720.db2.gz PRTFVEVWDBMXLR-UKRRQHHQSA-N 1 1 328.416 0.684 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCCNC2=O)C1 ZINC001021625067 757705095 /nfs/dbraw/zinc/70/50/95/757705095.db2.gz NKMAZVBQGNRANS-CVEARBPZSA-N 1 1 332.448 0.738 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2ncn(C)c2=O)C1 ZINC001021632062 757714288 /nfs/dbraw/zinc/71/42/88/757714288.db2.gz FTSLIIJMUBLTQA-HZPDHXFCSA-N 1 1 347.463 0.861 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001076954542 757724196 /nfs/dbraw/zinc/72/41/96/757724196.db2.gz SITWYWSEELEWDY-UONOGXRCSA-N 1 1 334.420 0.974 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021660837 757751253 /nfs/dbraw/zinc/75/12/53/757751253.db2.gz GYLRUBXGCDLTIH-HOTGVXAUSA-N 1 1 326.400 0.856 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)c(F)c1 ZINC001021661552 757753149 /nfs/dbraw/zinc/75/31/49/757753149.db2.gz PGXQYPNTTURSFZ-GOEBONIOSA-N 1 1 344.390 0.996 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](CC)NC(C)=O)nn2)C1 ZINC001107213455 757774675 /nfs/dbraw/zinc/77/46/75/757774675.db2.gz BNVKEZYXKFHGNW-HNNXBMFYSA-N 1 1 334.424 0.242 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001021690896 757789017 /nfs/dbraw/zinc/78/90/17/757789017.db2.gz LCUVHQHTFLHQMC-LSDHHAIUSA-N 1 1 346.431 0.426 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021709650 757840133 /nfs/dbraw/zinc/84/01/33/757840133.db2.gz CXPJRUXFUJGDFO-KGLIPLIRSA-N 1 1 334.420 0.379 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021713271 757849278 /nfs/dbraw/zinc/84/92/78/757849278.db2.gz NODHWWOKKYCISU-LSDHHAIUSA-N 1 1 348.447 0.769 20 30 ECEDMO CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001076999592 757876037 /nfs/dbraw/zinc/87/60/37/757876037.db2.gz XQNNLNXDMACHRJ-KBAYOESNSA-N 1 1 333.476 0.826 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCO)CC[C@@H]32)CC1 ZINC001021738727 757886893 /nfs/dbraw/zinc/88/68/93/757886893.db2.gz CVDGVNHFSIXPGZ-ROUUACIJSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCO)CC[C@@H]32)CC1 ZINC001021738727 757886920 /nfs/dbraw/zinc/88/69/20/757886920.db2.gz CVDGVNHFSIXPGZ-ROUUACIJSA-N 1 1 333.476 0.637 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nc2C)C1 ZINC001076996738 757900088 /nfs/dbraw/zinc/90/00/88/757900088.db2.gz LCZNKOHZKQILIH-FVQBIDKESA-N 1 1 334.420 0.504 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O ZINC001049081464 757909263 /nfs/dbraw/zinc/90/92/63/757909263.db2.gz FYFOWZSZXBRAQP-QEJZJMRPSA-N 1 1 347.419 0.162 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C)no4)C[C@@H]3C2)nn1 ZINC001049102976 757964366 /nfs/dbraw/zinc/96/43/66/757964366.db2.gz BFHSRPKUDLJDKY-OKILXGFUSA-N 1 1 342.403 0.965 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ncc(C)o4)C[C@@H]3C2)nn1 ZINC001049103030 757964808 /nfs/dbraw/zinc/96/48/08/757964808.db2.gz DCQMNWRPJMSSIP-OKILXGFUSA-N 1 1 342.403 0.965 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncc(C)o4)C[C@@H]3C2)nn1 ZINC001049103030 757964818 /nfs/dbraw/zinc/96/48/18/757964818.db2.gz DCQMNWRPJMSSIP-OKILXGFUSA-N 1 1 342.403 0.965 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049111438 757987862 /nfs/dbraw/zinc/98/78/62/757987862.db2.gz QGQUCLGFEMPFCZ-QEOTZNIISA-N 1 1 347.459 0.636 20 30 ECEDMO CC#CCN1CC(n2cc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001107229741 757993345 /nfs/dbraw/zinc/99/33/45/757993345.db2.gz QEVPTBLPYDGUKB-AWEZNQCLSA-N 1 1 330.436 0.116 20 30 ECEDMO CCOCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)CC2(CCOCC2)C1 ZINC001099562055 757996437 /nfs/dbraw/zinc/99/64/37/757996437.db2.gz NOXGCIDACJMZEK-INIZCTEOSA-N 1 1 338.448 0.660 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCN3CCCC3=O)nn2)C1 ZINC001107235407 758021211 /nfs/dbraw/zinc/02/12/11/758021211.db2.gz FUXYLOJURCMUQU-UHFFFAOYSA-N 1 1 346.435 0.340 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CCOCCOC)nn2)C1 ZINC001107241134 758042455 /nfs/dbraw/zinc/04/24/55/758042455.db2.gz NUSMABKIIRJJRG-UHFFFAOYSA-N 1 1 337.424 0.380 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001077052049 758042892 /nfs/dbraw/zinc/04/28/92/758042892.db2.gz QHBNSHXMMZGSOC-MWLCHTKSSA-N 1 1 330.310 0.237 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C[C@H]2C1 ZINC001049140676 758108551 /nfs/dbraw/zinc/10/85/51/758108551.db2.gz PYXZFIKDDCFJQX-HRCADAONSA-N 1 1 345.447 0.895 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCSC)CCC[C@@H]12 ZINC001107270050 758124208 /nfs/dbraw/zinc/12/42/08/758124208.db2.gz KYZRNQAKWASIPU-RHSMWYFYSA-N 1 1 337.489 0.850 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O ZINC001049163717 758186833 /nfs/dbraw/zinc/18/68/33/758186833.db2.gz NDRXYNYBSUVLIS-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccon3)CCC[C@@H]12 ZINC001107296451 758195214 /nfs/dbraw/zinc/19/52/14/758195214.db2.gz PTRUHQRUOBKMNP-RHSMWYFYSA-N 1 1 330.388 0.398 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccon3)CCC[C@@H]12 ZINC001107303071 758214600 /nfs/dbraw/zinc/21/46/00/758214600.db2.gz IQZCEHHUXUSFIU-RHSMWYFYSA-N 1 1 332.404 0.951 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001077113500 758215747 /nfs/dbraw/zinc/21/57/47/758215747.db2.gz LNOXZVBFFCCKMK-HZPDHXFCSA-N 1 1 329.404 0.766 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]3C2)nc1 ZINC001049177950 758233188 /nfs/dbraw/zinc/23/31/88/758233188.db2.gz VXMXFFGMCZWMIY-LZWOXQAQSA-N 1 1 326.400 0.331 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001049181088 758241992 /nfs/dbraw/zinc/24/19/92/758241992.db2.gz VFQYIVJORLOEHT-KBPBESRZSA-N 1 1 334.420 0.434 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)Cn3nc(C)ccc3=O)C[C@H]2C1 ZINC001049182496 758243535 /nfs/dbraw/zinc/24/35/35/758243535.db2.gz SDUPVSKACKDLFX-IYBDPMFKSA-N 1 1 330.432 0.908 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@](C)(O)C1CC1 ZINC001077123807 758249947 /nfs/dbraw/zinc/24/99/47/758249947.db2.gz DHDZCSUWPSBNSL-QOKNQOGYSA-N 1 1 349.475 0.646 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@](C)(O)C1CC1 ZINC001077123807 758249956 /nfs/dbraw/zinc/24/99/56/758249956.db2.gz DHDZCSUWPSBNSL-QOKNQOGYSA-N 1 1 349.475 0.646 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC1(F)F ZINC001077123772 758250011 /nfs/dbraw/zinc/25/00/11/758250011.db2.gz CDVYJDRMHOCTNV-AVGNSLFASA-N 1 1 327.375 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC1(F)F ZINC001077123772 758250022 /nfs/dbraw/zinc/25/00/22/758250022.db2.gz CDVYJDRMHOCTNV-AVGNSLFASA-N 1 1 327.375 0.750 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049189870 758255205 /nfs/dbraw/zinc/25/52/05/758255205.db2.gz AGRKPZFQHNNISE-LZWOXQAQSA-N 1 1 341.477 0.425 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001049190607 758258582 /nfs/dbraw/zinc/25/85/82/758258582.db2.gz YHYDZYJBJFUIHA-XYPHTWIQSA-N 1 1 325.412 0.474 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001077132917 758261753 /nfs/dbraw/zinc/26/17/53/758261753.db2.gz BZRLTAMSKDYGBC-HZPDHXFCSA-N 1 1 325.368 0.739 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)c1 ZINC001049202539 758289872 /nfs/dbraw/zinc/28/98/72/758289872.db2.gz RHBZQCNYHXSLHU-CALCHBBNSA-N 1 1 336.399 0.740 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001014407051 762622298 /nfs/dbraw/zinc/62/22/98/762622298.db2.gz MAXFEXMVZIHSBX-KBPBESRZSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nn(C)cc3C)C2)C1=O ZINC001014407051 762622304 /nfs/dbraw/zinc/62/23/04/762622304.db2.gz MAXFEXMVZIHSBX-KBPBESRZSA-N 1 1 331.420 0.320 20 30 ECEDMO CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)C#N)CCC[C@@H]12 ZINC001107337231 758321930 /nfs/dbraw/zinc/32/19/30/758321930.db2.gz XWCYGISITLOGQZ-PBFPGSCMSA-N 1 1 349.435 0.353 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC001032312085 758356622 /nfs/dbraw/zinc/35/66/22/758356622.db2.gz CVSHRHMAARFMFI-AGIUHOORSA-N 1 1 347.419 0.152 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC001032312085 758356633 /nfs/dbraw/zinc/35/66/33/758356633.db2.gz CVSHRHMAARFMFI-AGIUHOORSA-N 1 1 347.419 0.152 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049220873 758363912 /nfs/dbraw/zinc/36/39/12/758363912.db2.gz RMRHEIHTTCOCNC-HZSPNIEDSA-N 1 1 327.450 0.035 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C[C@H]2C1 ZINC001049231101 758389810 /nfs/dbraw/zinc/38/98/10/758389810.db2.gz MLOKOCJPHFBNKA-OAGGEKHMSA-N 1 1 327.432 0.562 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@@H](C)OC)C[C@@H]3C2)CC1 ZINC001049234399 758401791 /nfs/dbraw/zinc/40/17/91/758401791.db2.gz DSUWGHLPSZUBAH-NXHRZFHOSA-N 1 1 333.476 0.757 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H](C)OC)C[C@@H]3C2)CC1 ZINC001049234399 758401799 /nfs/dbraw/zinc/40/17/99/758401799.db2.gz DSUWGHLPSZUBAH-NXHRZFHOSA-N 1 1 333.476 0.757 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001014410731 762628336 /nfs/dbraw/zinc/62/83/36/762628336.db2.gz VZOLJFCDNAQUKR-ZFWWWQNUSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001014410731 762628342 /nfs/dbraw/zinc/62/83/42/762628342.db2.gz VZOLJFCDNAQUKR-ZFWWWQNUSA-N 1 1 329.404 0.376 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001049276373 758466653 /nfs/dbraw/zinc/46/66/53/758466653.db2.gz RTGWYRCLNTUDKW-KBMXLJTQSA-N 1 1 348.447 0.824 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001049276372 758466866 /nfs/dbraw/zinc/46/68/66/758466866.db2.gz RTGWYRCLNTUDKW-BPUTZDHNSA-N 1 1 348.447 0.824 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCCOC)C[C@]2(C)C1 ZINC001101141413 758474609 /nfs/dbraw/zinc/47/46/09/758474609.db2.gz WAMNOQMGVVNCDC-DAYGRLMNSA-N 1 1 337.464 0.884 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC(=O)N(C)C3)CCC[C@@H]12 ZINC001107425701 758534354 /nfs/dbraw/zinc/53/43/54/758534354.db2.gz LBAZNMBGHKSPNH-FRQCXROJSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cncn1C ZINC001077230380 758553507 /nfs/dbraw/zinc/55/35/07/758553507.db2.gz DNFGWIZBGQGXMZ-KBPBESRZSA-N 1 1 331.420 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cncn1C ZINC001077230380 758553514 /nfs/dbraw/zinc/55/35/14/758553514.db2.gz DNFGWIZBGQGXMZ-KBPBESRZSA-N 1 1 331.420 0.142 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(F)nc2)C1=O ZINC001032318936 758567766 /nfs/dbraw/zinc/56/77/66/758567766.db2.gz DJHKJGBJSXJKGJ-SOUVJXGZSA-N 1 1 344.390 0.906 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(F)nc2)C1=O ZINC001032318936 758567770 /nfs/dbraw/zinc/56/77/70/758567770.db2.gz DJHKJGBJSXJKGJ-SOUVJXGZSA-N 1 1 344.390 0.906 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077237807 758572877 /nfs/dbraw/zinc/57/28/77/758572877.db2.gz RUVGNIFXNSNBOQ-JHJVBQTASA-N 1 1 346.269 0.541 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(c4cnc(C#N)cn4)C[C@H]3C2)C1 ZINC001049383549 758605707 /nfs/dbraw/zinc/60/57/07/758605707.db2.gz BBRGJZKKVDHIEI-ILXRZTDVSA-N 1 1 340.431 0.585 20 30 ECEDMO N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)cc1 ZINC001022352652 758610328 /nfs/dbraw/zinc/61/03/28/758610328.db2.gz ZAYJPLUDIZPBIE-BETUJISGSA-N 1 1 326.360 0.758 20 30 ECEDMO O=C(NCCNCC#Cc1ccccc1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779488 758622449 /nfs/dbraw/zinc/62/24/49/758622449.db2.gz MIKUMMGQBPHGPL-ZWKOTPCHSA-N 1 1 327.428 0.607 20 30 ECEDMO O=C(NCCNCC#Cc1ccccc1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779488 758622452 /nfs/dbraw/zinc/62/24/52/758622452.db2.gz MIKUMMGQBPHGPL-ZWKOTPCHSA-N 1 1 327.428 0.607 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)NC2CC2)c1 ZINC001049401125 758633531 /nfs/dbraw/zinc/63/35/31/758633531.db2.gz LTANBBXRHMHQKV-HOTGVXAUSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)NC2CC2)c1 ZINC001049401125 758633539 /nfs/dbraw/zinc/63/35/39/758633539.db2.gz LTANBBXRHMHQKV-HOTGVXAUSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC001127779264 758645509 /nfs/dbraw/zinc/64/55/09/758645509.db2.gz KIJQQJDJOKYFJS-WBVHZDCISA-N 1 1 346.406 0.766 20 30 ECEDMO N#Cc1ccc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC001127779264 758645513 /nfs/dbraw/zinc/64/55/13/758645513.db2.gz KIJQQJDJOKYFJS-WBVHZDCISA-N 1 1 346.406 0.766 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(C#N)c1 ZINC001049425905 758669951 /nfs/dbraw/zinc/66/99/51/758669951.db2.gz QDHGCMOKVONANY-JKSUJKDBSA-N 1 1 339.403 0.894 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(C#N)c1 ZINC001049425905 758669954 /nfs/dbraw/zinc/66/99/54/758669954.db2.gz QDHGCMOKVONANY-JKSUJKDBSA-N 1 1 339.403 0.894 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)NC2CC2)[nH]1 ZINC001049426299 758670727 /nfs/dbraw/zinc/67/07/27/758670727.db2.gz UIMINUWUYMARAE-JKSUJKDBSA-N 1 1 341.415 0.844 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)NC2CC2)[nH]1 ZINC001049426299 758670729 /nfs/dbraw/zinc/67/07/29/758670729.db2.gz UIMINUWUYMARAE-JKSUJKDBSA-N 1 1 341.415 0.844 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccncc3)on2)C1 ZINC001077596666 758676931 /nfs/dbraw/zinc/67/69/31/758676931.db2.gz IGBZUHILPJALIY-HUUCEWRRSA-N 1 1 326.356 0.535 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccncc3)on2)C1 ZINC001077596666 758676934 /nfs/dbraw/zinc/67/69/34/758676934.db2.gz IGBZUHILPJALIY-HUUCEWRRSA-N 1 1 326.356 0.535 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccc3c2O)C1 ZINC001077289253 758700909 /nfs/dbraw/zinc/70/09/09/758700909.db2.gz HEIZSEBBMLAJHI-HZPDHXFCSA-N 1 1 327.384 0.879 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccc3c2O)C1 ZINC001077289520 758702097 /nfs/dbraw/zinc/70/20/97/758702097.db2.gz SZUYACHIBMEOMF-HZPDHXFCSA-N 1 1 325.368 0.326 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCn3ncn(C)c3=O)CCC[C@@H]12 ZINC001107487204 758724451 /nfs/dbraw/zinc/72/44/51/758724451.db2.gz QGABEBMCDBBOIF-CRAIPNDOSA-N 1 1 345.447 0.356 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCN1CCNC1=O ZINC001049468733 758765602 /nfs/dbraw/zinc/76/56/02/758765602.db2.gz XKUPLQVWUZWSGS-CVEARBPZSA-N 1 1 330.432 0.490 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(OC)cccc2OC)C1 ZINC001077317506 758782426 /nfs/dbraw/zinc/78/24/26/758782426.db2.gz WEGKDHVOQPXRMG-HUUCEWRRSA-N 1 1 334.416 0.984 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC/C=C\CNc2ccnc(C#N)n2)C1 ZINC001107514116 758792883 /nfs/dbraw/zinc/79/28/83/758792883.db2.gz WJEAMVHSXFMGNH-ARJAWSKDSA-N 1 1 328.420 0.586 20 30 ECEDMO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001049484083 758793840 /nfs/dbraw/zinc/79/38/40/758793840.db2.gz DPVKTHSZCLJJOO-DLBZAZTESA-N 1 1 329.448 0.757 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001014425913 762659181 /nfs/dbraw/zinc/65/91/81/762659181.db2.gz NDRQGKLMDHMRQB-KGLIPLIRSA-N 1 1 331.420 0.919 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001049506382 758820300 /nfs/dbraw/zinc/82/03/00/758820300.db2.gz XEBOWJHHBYEHSA-ARFHVFGLSA-N 1 1 333.432 0.180 20 30 ECEDMO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001049548175 758906727 /nfs/dbraw/zinc/90/67/27/758906727.db2.gz HSTPMDCKFHLIAM-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC001011906250 758916472 /nfs/dbraw/zinc/91/64/72/758916472.db2.gz ZJZIZNKUYDFTBL-WFASDCNBSA-N 1 1 340.387 0.811 20 30 ECEDMO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001049560397 758924156 /nfs/dbraw/zinc/92/41/56/758924156.db2.gz RXVHHHFPTHOKIB-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001049579629 758956754 /nfs/dbraw/zinc/95/67/54/758956754.db2.gz HRAIYQXRFANECG-HZPDHXFCSA-N 1 1 346.431 0.755 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCCCS1(=O)=O ZINC001049594640 758972847 /nfs/dbraw/zinc/97/28/47/758972847.db2.gz LLQPMHOXMJQSPM-LSDHHAIUSA-N 1 1 341.477 0.663 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049612735 758992320 /nfs/dbraw/zinc/99/23/20/758992320.db2.gz NYHREUDBVWHCOQ-LSDHHAIUSA-N 1 1 333.436 0.613 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1ncn(C)c1=O ZINC001049613561 758993835 /nfs/dbraw/zinc/99/38/35/758993835.db2.gz SALRUABINWRLHP-HUUCEWRRSA-N 1 1 333.436 0.613 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nc2ccccn2c1=O ZINC001049627528 759011189 /nfs/dbraw/zinc/01/11/89/759011189.db2.gz XTCSLONWMXXYBB-HUUCEWRRSA-N 1 1 341.415 0.747 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)C(=O)N1 ZINC001049636109 759033541 /nfs/dbraw/zinc/03/35/41/759033541.db2.gz PEPLCWFCHYKRQO-FRRDWIJNSA-N 1 1 326.828 0.828 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)C(=O)N1 ZINC001049636109 759033551 /nfs/dbraw/zinc/03/35/51/759033551.db2.gz PEPLCWFCHYKRQO-FRRDWIJNSA-N 1 1 326.828 0.828 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001049673868 759075135 /nfs/dbraw/zinc/07/51/35/759075135.db2.gz AHPGHYRJECMFIS-UONOGXRCSA-N 1 1 325.372 0.976 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001049692587 759107674 /nfs/dbraw/zinc/10/76/74/759107674.db2.gz TYUXJUWVXURQSZ-JKSUJKDBSA-N 1 1 329.375 0.728 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC#Cc1ccc(F)cc1 ZINC001049692587 759107680 /nfs/dbraw/zinc/10/76/80/759107680.db2.gz TYUXJUWVXURQSZ-JKSUJKDBSA-N 1 1 329.375 0.728 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001105913996 762694849 /nfs/dbraw/zinc/69/48/49/762694849.db2.gz MTNBYARNCYDBQY-ZFWWWQNUSA-N 1 1 331.420 0.493 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cnccc1=O ZINC001049817604 759250603 /nfs/dbraw/zinc/25/06/03/759250603.db2.gz LXYSEGDHXKNKHX-JKSUJKDBSA-N 1 1 328.416 0.722 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCOCC2)C1 ZINC000991088943 759266406 /nfs/dbraw/zinc/26/64/06/759266406.db2.gz QXRYYZNBIYUXQX-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCOCC2)C1 ZINC000991088943 759266410 /nfs/dbraw/zinc/26/64/10/759266410.db2.gz QXRYYZNBIYUXQX-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(C2CCOCC2)nn1 ZINC001049835819 759270908 /nfs/dbraw/zinc/27/09/08/759270908.db2.gz SMNLZWAWNYUFDU-SJORKVTESA-N 1 1 343.431 0.942 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001049839776 759280749 /nfs/dbraw/zinc/28/07/49/759280749.db2.gz JYGUVIFNRXTEGV-IAOVAPTHSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C(=O)NC)nc1 ZINC001049848546 759297361 /nfs/dbraw/zinc/29/73/61/759297361.db2.gz OJHFYUUUJLFOCC-CVEARBPZSA-N 1 1 326.400 0.753 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)N(C)C)cn1 ZINC001049853869 759304926 /nfs/dbraw/zinc/30/49/26/759304926.db2.gz HXFSOKCKIRWYJB-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)N(C)C)cn1 ZINC001049853869 759304936 /nfs/dbraw/zinc/30/49/36/759304936.db2.gz HXFSOKCKIRWYJB-DLBZAZTESA-N 1 1 340.427 0.830 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049880446 759337708 /nfs/dbraw/zinc/33/77/08/759337708.db2.gz ASJKVMMMZNMJEI-NEPJUHHUSA-N 1 1 340.811 0.356 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049880446 759337718 /nfs/dbraw/zinc/33/77/18/759337718.db2.gz ASJKVMMMZNMJEI-NEPJUHHUSA-N 1 1 340.811 0.356 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(=O)NC)[C@H](C)C2)CC1 ZINC001107034107 759368541 /nfs/dbraw/zinc/36/85/41/759368541.db2.gz JOWIBKWZMMUKAD-BFYDXBDKSA-N 1 1 348.491 0.150 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001049900922 759379853 /nfs/dbraw/zinc/37/98/53/759379853.db2.gz VUHCMJHWORLQQM-BFHYXJOUSA-N 1 1 327.450 0.320 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(Cn3cccn3)on2)[C@@H](C)C1 ZINC000944082422 759381053 /nfs/dbraw/zinc/38/10/53/759381053.db2.gz WQGCGHNJYHNNBH-DZGCQCFKSA-N 1 1 327.388 0.993 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001047639764 759381596 /nfs/dbraw/zinc/38/15/96/759381596.db2.gz NVQRFBPMJXAYSI-RDBSUJKOSA-N 1 1 347.381 0.540 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001047639764 759381607 /nfs/dbraw/zinc/38/16/07/759381607.db2.gz NVQRFBPMJXAYSI-RDBSUJKOSA-N 1 1 347.381 0.540 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001049910297 759393716 /nfs/dbraw/zinc/39/37/16/759393716.db2.gz ISVCPUZGECLUOR-LSDHHAIUSA-N 1 1 342.447 0.905 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001047644956 759393795 /nfs/dbraw/zinc/39/37/95/759393795.db2.gz WTXFQFWCSNEGKD-KBPBESRZSA-N 1 1 329.360 0.599 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001047644956 759393807 /nfs/dbraw/zinc/39/38/07/759393807.db2.gz WTXFQFWCSNEGKD-KBPBESRZSA-N 1 1 329.360 0.599 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC001047644809 759394265 /nfs/dbraw/zinc/39/42/65/759394265.db2.gz RGKDIQSOEONTBU-ROUUACIJSA-N 1 1 343.427 0.810 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC001047644809 759394273 /nfs/dbraw/zinc/39/42/73/759394273.db2.gz RGKDIQSOEONTBU-ROUUACIJSA-N 1 1 343.427 0.810 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001047648789 759407101 /nfs/dbraw/zinc/40/71/01/759407101.db2.gz CVIKAGXJSWVJNL-RCBQFDQVSA-N 1 1 332.448 0.667 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001047648789 759407104 /nfs/dbraw/zinc/40/71/04/759407104.db2.gz CVIKAGXJSWVJNL-RCBQFDQVSA-N 1 1 332.448 0.667 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC(=O)NC1=O ZINC001049934130 759426145 /nfs/dbraw/zinc/42/61/45/759426145.db2.gz QLXCOXBRDFPCKR-YNEHKIRRSA-N 1 1 339.823 0.857 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC(=O)NC1=O ZINC001049934130 759426154 /nfs/dbraw/zinc/42/61/54/759426154.db2.gz QLXCOXBRDFPCKR-YNEHKIRRSA-N 1 1 339.823 0.857 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(CC(N)=O)nn1)C2 ZINC001054244332 767861050 /nfs/dbraw/zinc/86/10/50/767861050.db2.gz CRXYVYVDXIMSAQ-QGZVFWFLSA-N 1 1 346.435 0.268 20 30 ECEDMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001050025867 759566170 /nfs/dbraw/zinc/56/61/70/759566170.db2.gz IKWXQSXKLJPUBQ-TUKIKUTGSA-N 1 1 329.404 0.687 20 30 ECEDMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001050025872 759566806 /nfs/dbraw/zinc/56/68/06/759566806.db2.gz ITLGENHMCRBPSC-TYNCELHUSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC001127027067 759575512 /nfs/dbraw/zinc/57/55/12/759575512.db2.gz HAVBZMBHHDIWFF-AWEZNQCLSA-N 1 1 342.403 0.469 20 30 ECEDMO COCCCCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101162742 759686788 /nfs/dbraw/zinc/68/67/88/759686788.db2.gz FWBXQTDOJLHZFV-PBHICJAKSA-N 1 1 336.436 0.223 20 30 ECEDMO COCCCCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101162742 759686792 /nfs/dbraw/zinc/68/67/92/759686792.db2.gz FWBXQTDOJLHZFV-PBHICJAKSA-N 1 1 336.436 0.223 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)[C@@H]2C1 ZINC001050103835 759709369 /nfs/dbraw/zinc/70/93/69/759709369.db2.gz DMGLIAJDYFKPIW-DZGCQCFKSA-N 1 1 344.415 0.685 20 30 ECEDMO Cc1nc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)ccc1C#N ZINC001125111380 759716618 /nfs/dbraw/zinc/71/66/18/759716618.db2.gz WFDSRVZLNPZNAC-HZPDHXFCSA-N 1 1 345.447 0.469 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(C)c(C(N)=O)cn3)[C@@H]2C1 ZINC001050145409 759797210 /nfs/dbraw/zinc/79/72/10/759797210.db2.gz SDNNOXIRYVFAQD-XJKSGUPXSA-N 1 1 326.400 0.659 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001050191024 759903998 /nfs/dbraw/zinc/90/39/98/759903998.db2.gz BMZCBQAWZRKHLD-SQWLQELKSA-N 1 1 339.461 0.014 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C(N)=O)n3)[C@@H]2C1 ZINC001050210779 759945012 /nfs/dbraw/zinc/94/50/12/759945012.db2.gz BDNLNGSMADANSY-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001012440461 760006853 /nfs/dbraw/zinc/00/68/53/760006853.db2.gz FMRCVJYKUYWIBQ-RISCZKNCSA-N 1 1 340.387 0.811 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001012445872 760013263 /nfs/dbraw/zinc/01/32/63/760013263.db2.gz KVHJAABWIQLEOY-SMDDNHRTSA-N 1 1 340.387 0.811 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CCOCC2)C1=O ZINC001032246426 760031234 /nfs/dbraw/zinc/03/12/34/760031234.db2.gz XCXCNEVNJMMTBJ-JYJNAYRXSA-N 1 1 333.432 0.485 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CCOCC2)C1=O ZINC001032246426 760031246 /nfs/dbraw/zinc/03/12/46/760031246.db2.gz XCXCNEVNJMMTBJ-JYJNAYRXSA-N 1 1 333.432 0.485 20 30 ECEDMO Cn1cc(C[NH2+][C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)nn1 ZINC000995683807 760042701 /nfs/dbraw/zinc/04/27/01/760042701.db2.gz ZCTWVFPFIONRFI-AWEZNQCLSA-N 1 1 327.392 0.655 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)[C@@H]2C)C1 ZINC001050346715 760157416 /nfs/dbraw/zinc/15/74/16/760157416.db2.gz MIOALVLUMHWWGF-KBMXLJTQSA-N 1 1 343.431 0.757 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)[C@@H]2C)C1 ZINC001050346715 760157423 /nfs/dbraw/zinc/15/74/23/760157423.db2.gz MIOALVLUMHWWGF-KBMXLJTQSA-N 1 1 343.431 0.757 20 30 ECEDMO C#CCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001050588660 760538704 /nfs/dbraw/zinc/53/87/04/760538704.db2.gz WAWOYQAQQQXPBJ-DLBZAZTESA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC001127056759 760550895 /nfs/dbraw/zinc/55/08/95/760550895.db2.gz IOZGOHVNLVKMAJ-CQSZACIVSA-N 1 1 327.388 0.511 20 30 ECEDMO CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC000995800524 760625196 /nfs/dbraw/zinc/62/51/96/760625196.db2.gz ZTHPRFWLOXEWSN-CQSZACIVSA-N 1 1 343.431 0.548 20 30 ECEDMO N#CCN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC001048525965 760662364 /nfs/dbraw/zinc/66/23/64/760662364.db2.gz LSOHPIZROMQICI-ZHCJQAHYSA-N 1 1 332.448 0.732 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc3[nH]c(CC)nc32)[C@@H](O)C1 ZINC001083662626 760749233 /nfs/dbraw/zinc/74/92/33/760749233.db2.gz BKJLVNUHNDPOEE-OLZOCXBDSA-N 1 1 329.404 0.871 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001050734991 760754787 /nfs/dbraw/zinc/75/47/87/760754787.db2.gz DUJJGAAHNNALMX-HZPDHXFCSA-N 1 1 346.431 0.585 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001048588623 760762414 /nfs/dbraw/zinc/76/24/14/760762414.db2.gz IXEQBTQBCKBEBX-LXTVHRRPSA-N 1 1 339.461 0.061 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CSCC#N)C1 ZINC001050770434 760813376 /nfs/dbraw/zinc/81/33/76/760813376.db2.gz ASZGJDFPRIKDOM-OCCSQVGLSA-N 1 1 349.460 0.802 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1(C)C ZINC000996008715 760931486 /nfs/dbraw/zinc/93/14/86/760931486.db2.gz GGOWUVYEUCIWQM-OAHLLOKOSA-N 1 1 332.448 0.835 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4ccon4)C[C@H]3C2)C1=O ZINC001048701050 760971119 /nfs/dbraw/zinc/97/11/19/760971119.db2.gz SOPYXHGYDZEKEN-VNHYZAJKSA-N 1 1 330.388 0.465 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048712541 760999573 /nfs/dbraw/zinc/99/95/73/760999573.db2.gz YTWIIQVAZJWBFG-PMPSAXMXSA-N 1 1 335.448 0.162 20 30 ECEDMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048725355 761048467 /nfs/dbraw/zinc/04/84/67/761048467.db2.gz QJOZKWIKSSNCRW-LEWSCRJBSA-N 1 1 344.419 0.515 20 30 ECEDMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048725355 761048474 /nfs/dbraw/zinc/04/84/74/761048474.db2.gz QJOZKWIKSSNCRW-LEWSCRJBSA-N 1 1 344.419 0.515 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3ccc(O)cc3)C[C@@H]2C1 ZINC001048725792 761050074 /nfs/dbraw/zinc/05/00/74/761050074.db2.gz VYPQWRROPHGPBP-MELADBBJSA-N 1 1 342.399 0.881 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3ccc(O)cc3)C[C@@H]2C1 ZINC001048725792 761050083 /nfs/dbraw/zinc/05/00/83/761050083.db2.gz VYPQWRROPHGPBP-MELADBBJSA-N 1 1 342.399 0.881 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001048728185 761054577 /nfs/dbraw/zinc/05/45/77/761054577.db2.gz WSSCYXVDWWZLIV-YUELXQCFSA-N 1 1 339.461 0.361 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H]2CCCOC2)[nH]1 ZINC001050879179 761058168 /nfs/dbraw/zinc/05/81/68/761058168.db2.gz JCPAWQJVRIVMSW-UKRRQHHQSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H]2CCCOC2)[nH]1 ZINC001050879179 761058180 /nfs/dbraw/zinc/05/81/80/761058180.db2.gz JCPAWQJVRIVMSW-UKRRQHHQSA-N 1 1 332.404 0.744 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H](C)c2nnc(C)[nH]2)C1 ZINC001030031487 761201311 /nfs/dbraw/zinc/20/13/11/761201311.db2.gz RHDSQHVSLKXFFK-KBMXLJTQSA-N 1 1 344.463 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H](C)c2nnc(C)[nH]2)C1 ZINC001030031487 761201315 /nfs/dbraw/zinc/20/13/15/761201315.db2.gz RHDSQHVSLKXFFK-KBMXLJTQSA-N 1 1 344.463 0.852 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001077447675 761208068 /nfs/dbraw/zinc/20/80/68/761208068.db2.gz IFFFYNLJYJHPNU-IXDOHACOSA-N 1 1 337.464 0.225 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1ccns1 ZINC001050963219 761231466 /nfs/dbraw/zinc/23/14/66/761231466.db2.gz XJAKABKOIACBCZ-HOCLYGCPSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1ccns1 ZINC001050963219 761231471 /nfs/dbraw/zinc/23/14/71/761231471.db2.gz XJAKABKOIACBCZ-HOCLYGCPSA-N 1 1 348.472 0.558 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1ccccn1 ZINC001050963087 761231732 /nfs/dbraw/zinc/23/17/32/761231732.db2.gz UMBVJBNBCDVMNO-ROUUACIJSA-N 1 1 342.443 0.496 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1ccccn1 ZINC001050963087 761231734 /nfs/dbraw/zinc/23/17/34/761231734.db2.gz UMBVJBNBCDVMNO-ROUUACIJSA-N 1 1 342.443 0.496 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001050990196 761283893 /nfs/dbraw/zinc/28/38/93/761283893.db2.gz AAKACTGZQNJDHZ-KBPBESRZSA-N 1 1 349.435 0.329 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001050990196 761283895 /nfs/dbraw/zinc/28/38/95/761283895.db2.gz AAKACTGZQNJDHZ-KBPBESRZSA-N 1 1 349.435 0.329 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CNC(=O)C(C)(C)C)CC2)C1 ZINC001105733951 761408732 /nfs/dbraw/zinc/40/87/32/761408732.db2.gz RXILVBVSIDVUBK-UHFFFAOYSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001051201728 761677623 /nfs/dbraw/zinc/67/76/23/761677623.db2.gz UBWFHQATOLYIGI-GJZGRUSLSA-N 1 1 338.452 0.703 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001051201728 761677625 /nfs/dbraw/zinc/67/76/25/761677625.db2.gz UBWFHQATOLYIGI-GJZGRUSLSA-N 1 1 338.452 0.703 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCCN1C(N)=O ZINC001051201729 761677880 /nfs/dbraw/zinc/67/78/80/761677880.db2.gz UBWFHQATOLYIGI-HUUCEWRRSA-N 1 1 338.452 0.703 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCCN1C(N)=O ZINC001051201729 761677884 /nfs/dbraw/zinc/67/78/84/761677884.db2.gz UBWFHQATOLYIGI-HUUCEWRRSA-N 1 1 338.452 0.703 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CCOCC2)nc1 ZINC001051214987 761704908 /nfs/dbraw/zinc/70/49/08/761704908.db2.gz QWXJAYCSCZGMMB-KRWDZBQOSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC2CCOCC2)nc1 ZINC001051214987 761704914 /nfs/dbraw/zinc/70/49/14/761704914.db2.gz QWXJAYCSCZGMMB-KRWDZBQOSA-N 1 1 343.427 0.920 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@@H]2C)C1 ZINC001088840635 761809960 /nfs/dbraw/zinc/80/99/60/761809960.db2.gz PXLWNRDMINDCKZ-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@@H]2C)C1 ZINC001088840635 761809974 /nfs/dbraw/zinc/80/99/74/761809974.db2.gz PXLWNRDMINDCKZ-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CN(C)CCO3)cccc2C1 ZINC001051284629 761825206 /nfs/dbraw/zinc/82/52/06/761825206.db2.gz ZBFCGMXLDSEXRY-GOSISDBHSA-N 1 1 327.428 0.625 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CSCC#N)C1 ZINC001051315290 761879914 /nfs/dbraw/zinc/87/99/14/761879914.db2.gz YSKSSFLSFXNRDM-KGLIPLIRSA-N 1 1 340.493 0.938 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNc2cccc(F)c2C#N)C1 ZINC001105914314 762714321 /nfs/dbraw/zinc/71/43/21/762714321.db2.gz UAXKTERLIUYJSN-OLZOCXBDSA-N 1 1 334.395 0.928 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C[C@H]1O ZINC001051699466 762727488 /nfs/dbraw/zinc/72/74/88/762727488.db2.gz GPMKINFKHDMIRH-HZPDHXFCSA-N 1 1 340.387 0.214 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)C2)ccc1F ZINC001014564678 762836105 /nfs/dbraw/zinc/83/61/05/762836105.db2.gz KEOSPIHDAILTNU-AWEZNQCLSA-N 1 1 328.351 0.680 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3nccn3)C2)ccc1F ZINC001014564678 762836113 /nfs/dbraw/zinc/83/61/13/762836113.db2.gz KEOSPIHDAILTNU-AWEZNQCLSA-N 1 1 328.351 0.680 20 30 ECEDMO Cc1nn[nH]c1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001051749204 762867144 /nfs/dbraw/zinc/86/71/44/762867144.db2.gz BYARMBLEHOMXRE-OAHLLOKOSA-N 1 1 340.387 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H](CC)OC)CC1 ZINC001017537038 768092697 /nfs/dbraw/zinc/09/26/97/768092697.db2.gz KGLUWMQHDRUMHW-IRXDYDNUSA-N 1 1 347.459 0.784 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H](CC)OC)CC1 ZINC001017537038 768092705 /nfs/dbraw/zinc/09/27/05/768092705.db2.gz KGLUWMQHDRUMHW-IRXDYDNUSA-N 1 1 347.459 0.784 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ncc(C)o2)C1 ZINC001051834892 763077295 /nfs/dbraw/zinc/07/72/95/763077295.db2.gz ZTPQPUXYCUDHCS-KFWWJZLASA-N 1 1 335.404 0.891 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001089840190 763093451 /nfs/dbraw/zinc/09/34/51/763093451.db2.gz ZNXZVGHRJMTRHC-FQLMCAECSA-N 1 1 341.411 0.799 20 30 ECEDMO C=C(Cl)CN1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031858606 763098930 /nfs/dbraw/zinc/09/89/30/763098930.db2.gz CYFQPBADBPHDHI-UGWHAMFMSA-N 1 1 325.840 0.650 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001046780795 763116485 /nfs/dbraw/zinc/11/64/85/763116485.db2.gz ADQUSQVHQKZRKH-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001046780795 763116489 /nfs/dbraw/zinc/11/64/89/763116489.db2.gz ADQUSQVHQKZRKH-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1=O ZINC001031861879 763118339 /nfs/dbraw/zinc/11/83/39/763118339.db2.gz NDISYPDJVLTPOW-DZTUFKMZSA-N 1 1 345.443 0.245 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001046783202 763120632 /nfs/dbraw/zinc/12/06/32/763120632.db2.gz KOQFGYXEXCZHFE-DJJJIMSYSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001046783202 763120639 /nfs/dbraw/zinc/12/06/39/763120639.db2.gz KOQFGYXEXCZHFE-DJJJIMSYSA-N 1 1 340.427 0.924 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(C(C)C)no2)C1 ZINC001014771424 763128535 /nfs/dbraw/zinc/12/85/35/763128535.db2.gz YAUVWIBPLZWPGG-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(C(C)C)no2)C1 ZINC001014771424 763128541 /nfs/dbraw/zinc/12/85/41/763128541.db2.gz YAUVWIBPLZWPGG-GJZGRUSLSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001014774412 763133806 /nfs/dbraw/zinc/13/38/06/763133806.db2.gz DXXJJJVTWXMTTO-IRXDYDNUSA-N 1 1 329.448 0.251 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCN2CCCC2=O)C1 ZINC001014777689 763137430 /nfs/dbraw/zinc/13/74/30/763137430.db2.gz APAFGTMZPUAWCH-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2noc(C3CC3)n2)C1 ZINC001014779861 763140526 /nfs/dbraw/zinc/14/05/26/763140526.db2.gz OPXGOIWPSIXAHJ-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2noc(C3CC3)n2)C1 ZINC001014779861 763140531 /nfs/dbraw/zinc/14/05/31/763140531.db2.gz OPXGOIWPSIXAHJ-GJZGRUSLSA-N 1 1 343.431 0.735 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001105973364 763141117 /nfs/dbraw/zinc/14/11/17/763141117.db2.gz XRDAGAVSITWYRA-HUUCEWRRSA-N 1 1 346.435 0.419 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001105973539 763141216 /nfs/dbraw/zinc/14/12/16/763141216.db2.gz YXCZWNBLXHXMEK-ZIAGYGMSSA-N 1 1 332.408 0.110 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001051870073 763161975 /nfs/dbraw/zinc/16/19/75/763161975.db2.gz FWQLGNYJOGGWOV-CQSZACIVSA-N 1 1 344.350 0.446 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c(C)nc[nH]c1=O ZINC001089850961 763172126 /nfs/dbraw/zinc/17/21/26/763172126.db2.gz RRTCYGURQDBZLJ-XQLPTFJDSA-N 1 1 326.400 0.906 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCNC1=O ZINC001014812766 763215967 /nfs/dbraw/zinc/21/59/67/763215967.db2.gz VFDZPRMPTIKILZ-SJORKVTESA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCNC1=O ZINC001014812766 763215974 /nfs/dbraw/zinc/21/59/74/763215974.db2.gz VFDZPRMPTIKILZ-SJORKVTESA-N 1 1 343.402 0.894 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN([C@@H](CC)C(N)=O)C2)CC1 ZINC001046849177 763226445 /nfs/dbraw/zinc/22/64/45/763226445.db2.gz CCQMBZQLCWUADR-MAUKXSAKSA-N 1 1 334.464 0.176 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@]2(C)CCN([C@H]3CCN(C)C3=O)C2)CC1 ZINC001046850581 763231816 /nfs/dbraw/zinc/23/18/16/763231816.db2.gz WVDTUPUQLJRTHB-QFBILLFUSA-N 1 1 346.475 0.143 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1=O ZINC001030432781 763242459 /nfs/dbraw/zinc/24/24/59/763242459.db2.gz OIBKYAYSCARKJW-NVXWUHKLSA-N 1 1 348.491 0.552 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncccn3)C2)cn1 ZINC001051909358 763304789 /nfs/dbraw/zinc/30/47/89/763304789.db2.gz SIYRLUAELCJMOO-MRXNPFEDSA-N 1 1 337.383 0.484 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 ZINC001127684397 763372707 /nfs/dbraw/zinc/37/27/07/763372707.db2.gz MWAGBZUGMQYYOH-UHFFFAOYSA-N 1 1 328.420 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC000940518735 763376510 /nfs/dbraw/zinc/37/65/10/763376510.db2.gz HXFXIUFAQZPPGK-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC000940518735 763376519 /nfs/dbraw/zinc/37/65/19/763376519.db2.gz HXFXIUFAQZPPGK-ZBFHGGJFSA-N 1 1 328.416 0.751 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@]2(C)C1 ZINC000993136342 768128249 /nfs/dbraw/zinc/12/82/49/768128249.db2.gz QLCQEXXDJGGHAH-HACGYAERSA-N 1 1 329.404 0.658 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000940522815 763380688 /nfs/dbraw/zinc/38/06/88/763380688.db2.gz NXXRWMJRUFHQGG-GDBMZVCRSA-N 1 1 326.400 0.345 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046924026 763393617 /nfs/dbraw/zinc/39/36/17/763393617.db2.gz BRKZINNVZBZFKN-KGLIPLIRSA-N 1 1 329.391 0.414 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046924026 763393626 /nfs/dbraw/zinc/39/36/26/763393626.db2.gz BRKZINNVZBZFKN-KGLIPLIRSA-N 1 1 329.391 0.414 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001046927461 763401770 /nfs/dbraw/zinc/40/17/70/763401770.db2.gz AODGKPHREUORBQ-OLZOCXBDSA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001046927461 763401771 /nfs/dbraw/zinc/40/17/71/763401771.db2.gz AODGKPHREUORBQ-OLZOCXBDSA-N 1 1 327.375 0.609 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001046929020 763403925 /nfs/dbraw/zinc/40/39/25/763403925.db2.gz NRGXTTSTHIWILJ-QWHCGFSZSA-N 1 1 327.375 0.609 20 30 ECEDMO Cc1cc(C#N)nc(NC2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001051944798 763413973 /nfs/dbraw/zinc/41/39/73/763413973.db2.gz PEGKMZDOSKMRCZ-ROKHWSDSSA-N 1 1 328.420 0.915 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccc(C#N)nn3)C2)C1 ZINC001051947865 763418244 /nfs/dbraw/zinc/41/82/44/763418244.db2.gz LYPGLJOPRIQXPB-ZALBZXLWSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NCC2CC(Nc3ccc(C#N)nn3)C2)C1 ZINC001051947865 763418250 /nfs/dbraw/zinc/41/82/50/763418250.db2.gz LYPGLJOPRIQXPB-ZALBZXLWSA-N 1 1 344.419 0.376 20 30 ECEDMO COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCNC3=O)C2)cc1C#N ZINC001031897688 763439898 /nfs/dbraw/zinc/43/98/98/763439898.db2.gz VSQLAJWPIXRMAW-OAHLLOKOSA-N 1 1 342.399 0.251 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001046951446 763447443 /nfs/dbraw/zinc/44/74/43/763447443.db2.gz LKMBBEDNVCCWKY-STQMWFEESA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001046951446 763447447 /nfs/dbraw/zinc/44/74/47/763447447.db2.gz LKMBBEDNVCCWKY-STQMWFEESA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001046952509 763450923 /nfs/dbraw/zinc/45/09/23/763450923.db2.gz YWCVPTZKEXLXSQ-STQMWFEESA-N 1 1 327.375 0.609 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001046952509 763450928 /nfs/dbraw/zinc/45/09/28/763450928.db2.gz YWCVPTZKEXLXSQ-STQMWFEESA-N 1 1 327.375 0.609 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C[C@H](O)c2ccccc2F)C1 ZINC001030463837 763454742 /nfs/dbraw/zinc/45/47/42/763454742.db2.gz XEDHFOFUXOEPHS-ROUUACIJSA-N 1 1 345.418 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C[C@H](O)c2ccccc2F)C1 ZINC001030463837 763454747 /nfs/dbraw/zinc/45/47/47/763454747.db2.gz XEDHFOFUXOEPHS-ROUUACIJSA-N 1 1 345.418 0.757 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001046955570 763457332 /nfs/dbraw/zinc/45/73/32/763457332.db2.gz DBIIXUIYLQZHKT-STQMWFEESA-N 1 1 342.390 0.484 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001046955570 763457340 /nfs/dbraw/zinc/45/73/40/763457340.db2.gz DBIIXUIYLQZHKT-STQMWFEESA-N 1 1 342.390 0.484 20 30 ECEDMO C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001046957768 763462502 /nfs/dbraw/zinc/46/25/02/763462502.db2.gz RNNQIAVQZSTPRO-GFCCVEGCSA-N 1 1 336.346 0.997 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001105994935 763480074 /nfs/dbraw/zinc/48/00/74/763480074.db2.gz KKJGEEOMBJWBCC-GJZGRUSLSA-N 1 1 346.435 0.500 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3snnc3C)C2)CC1 ZINC001051981316 763508304 /nfs/dbraw/zinc/50/83/04/763508304.db2.gz NYMHMPQMXDRSAI-AWEZNQCLSA-N 1 1 333.461 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001046986980 763517778 /nfs/dbraw/zinc/51/77/78/763517778.db2.gz QROSVOQPGSOELV-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001046986980 763517784 /nfs/dbraw/zinc/51/77/84/763517784.db2.gz QROSVOQPGSOELV-UONOGXRCSA-N 1 1 341.402 0.952 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)CC1 ZINC001051992567 763538430 /nfs/dbraw/zinc/53/84/30/763538430.db2.gz AXBXSHYRDUPHNA-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)CC1 ZINC001051996760 763546163 /nfs/dbraw/zinc/54/61/63/763546163.db2.gz TWBRGBVTDUHJMK-INIZCTEOSA-N 1 1 329.448 0.882 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001052012968 763583775 /nfs/dbraw/zinc/58/37/75/763583775.db2.gz OITXLLFSTLGXEE-MRXNPFEDSA-N 1 1 325.416 0.742 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnc(C)n3C)C2)C1=O ZINC001031925674 763603119 /nfs/dbraw/zinc/60/31/19/763603119.db2.gz KYQIIVMGDRGFTQ-AWEZNQCLSA-N 1 1 331.420 0.177 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(-n3cccn3)ccn2)[C@@H](O)C1 ZINC001083770626 763604999 /nfs/dbraw/zinc/60/49/99/763604999.db2.gz SCTTUTXGLXQOQH-CVEARBPZSA-N 1 1 327.388 0.618 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2C)c1 ZINC001088846299 763607928 /nfs/dbraw/zinc/60/79/28/763607928.db2.gz HGZZAZHYURZWIC-CJNGLKHVSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)c1 ZINC001088846299 763607935 /nfs/dbraw/zinc/60/79/35/763607935.db2.gz HGZZAZHYURZWIC-CJNGLKHVSA-N 1 1 326.400 0.488 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)C1 ZINC001106004157 763610390 /nfs/dbraw/zinc/61/03/90/763610390.db2.gz NIAAJRGZCFPLSO-RHSMWYFYSA-N 1 1 345.447 0.820 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCc4cn[nH]c43)C2)CC1 ZINC001052028082 763624000 /nfs/dbraw/zinc/62/40/00/763624000.db2.gz NWEXNEYYRLNCEJ-CVEARBPZSA-N 1 1 342.447 0.572 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)CC1 ZINC001052028780 763624837 /nfs/dbraw/zinc/62/48/37/763624837.db2.gz SZOMBOUQZRDFHK-SQNIBIBYSA-N 1 1 333.476 0.899 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031487 763632769 /nfs/dbraw/zinc/63/27/69/763632769.db2.gz PNCBPMRKTQRZTC-QGZVFWFLSA-N 1 1 331.464 0.850 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031487 763632774 /nfs/dbraw/zinc/63/27/74/763632774.db2.gz PNCBPMRKTQRZTC-QGZVFWFLSA-N 1 1 331.464 0.850 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C2)CC1 ZINC001052035674 763644045 /nfs/dbraw/zinc/64/40/45/763644045.db2.gz NFXXGPZXASTLSX-CQSZACIVSA-N 1 1 338.415 0.423 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccnn3C)C2)CC1 ZINC001052035841 763644612 /nfs/dbraw/zinc/64/46/12/763644612.db2.gz RMPUCXXXMIYBSQ-SFHVURJKSA-N 1 1 343.475 0.595 20 30 ECEDMO Cc1ccncc1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052037559 763655552 /nfs/dbraw/zinc/65/55/52/763655552.db2.gz NNOLFGFKRHMBOH-KRWDZBQOSA-N 1 1 327.432 0.675 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C2)CC1 ZINC001052040364 763661588 /nfs/dbraw/zinc/66/15/88/763661588.db2.gz DPBLAJDVWRRXPO-KRWDZBQOSA-N 1 1 341.459 0.685 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)CC1 ZINC001052041236 763665940 /nfs/dbraw/zinc/66/59/40/763665940.db2.gz WPMXQXIOXSNFAO-CQSZACIVSA-N 1 1 329.404 0.038 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(F)cn3)C2)CC1 ZINC001052042876 763672514 /nfs/dbraw/zinc/67/25/14/763672514.db2.gz IXAFGJUSSHHXNX-INIZCTEOSA-N 1 1 331.395 0.505 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)C2)CC1 ZINC001052042985 763673449 /nfs/dbraw/zinc/67/34/49/763673449.db2.gz MBFSMDITHPGANH-OAHLLOKOSA-N 1 1 345.447 0.431 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCn4cncc4C3)C2)CC1 ZINC001052043335 763674935 /nfs/dbraw/zinc/67/49/35/763674935.db2.gz VHPFWIWCRYRETR-SJORKVTESA-N 1 1 341.459 0.297 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3COCCN3CC)C2)CC1 ZINC001052044719 763679854 /nfs/dbraw/zinc/67/98/54/763679854.db2.gz KIOCUHZRMDGKEC-SJORKVTESA-N 1 1 336.480 0.112 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3COCCN3CC)C2)CC1 ZINC001052044719 763679859 /nfs/dbraw/zinc/67/98/59/763679859.db2.gz KIOCUHZRMDGKEC-SJORKVTESA-N 1 1 336.480 0.112 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc4ncnn43)C2)CC1 ZINC001052046853 763688543 /nfs/dbraw/zinc/68/85/43/763688543.db2.gz FNESBJFOUVHPEL-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccn4nccc34)C2)CC1 ZINC001052047589 763691718 /nfs/dbraw/zinc/69/17/18/763691718.db2.gz RVUIMZXHARMWNY-OAHLLOKOSA-N 1 1 338.415 0.690 20 30 ECEDMO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001015025879 763694727 /nfs/dbraw/zinc/69/47/27/763694727.db2.gz SIGQJYCEOQJQFU-ROUUACIJSA-N 1 1 342.443 0.969 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]nc3CC)C2)CC1 ZINC001052048328 763695305 /nfs/dbraw/zinc/69/53/05/763695305.db2.gz QLGHGLHTEREGMK-OAHLLOKOSA-N 1 1 329.448 0.828 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(C)c3CCC)C2)CC1 ZINC001052048557 763698188 /nfs/dbraw/zinc/69/81/88/763698188.db2.gz XOWPEVSSDXXIDW-INIZCTEOSA-N 1 1 343.475 0.838 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4nccn4c3)C2)CC1 ZINC001052052509 763715972 /nfs/dbraw/zinc/71/59/72/763715972.db2.gz OPCQWWJOHCYRNC-INIZCTEOSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(CCF)c3)C2)C1=O ZINC001015037694 763722254 /nfs/dbraw/zinc/72/22/54/763722254.db2.gz KQQRPGDBVWKTQI-CABCVRRESA-N 1 1 349.410 0.444 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(CCF)c3)C2)C1=O ZINC001015037694 763722258 /nfs/dbraw/zinc/72/22/58/763722258.db2.gz KQQRPGDBVWKTQI-CABCVRRESA-N 1 1 349.410 0.444 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)CC1 ZINC001052056449 763727483 /nfs/dbraw/zinc/72/74/83/763727483.db2.gz XLXXZDSDSHORKF-KURKYZTESA-N 1 1 331.460 0.653 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3nc(C)no3)C2)CC1 ZINC001052059239 763735674 /nfs/dbraw/zinc/73/56/74/763735674.db2.gz FABJQTYMVCHVOE-INIZCTEOSA-N 1 1 345.447 0.552 20 30 ECEDMO Cc1noc(CCC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052060125 763738889 /nfs/dbraw/zinc/73/88/89/763738889.db2.gz XNKIWKSODCPIEB-AWEZNQCLSA-N 1 1 332.408 0.053 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]nc2CCC)C1 ZINC000995150274 763764126 /nfs/dbraw/zinc/76/41/26/763764126.db2.gz NZBVOPHVVZSMJX-INIZCTEOSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]nc2CCC)C1 ZINC000995150274 763764133 /nfs/dbraw/zinc/76/41/33/763764133.db2.gz NZBVOPHVVZSMJX-INIZCTEOSA-N 1 1 343.431 0.400 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069376 763765720 /nfs/dbraw/zinc/76/57/20/763765720.db2.gz ZFQDLATWHBFCHE-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069376 763765727 /nfs/dbraw/zinc/76/57/27/763765727.db2.gz ZFQDLATWHBFCHE-CRAIPNDOSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ncccc3F)C2)CC1 ZINC001052070029 763767092 /nfs/dbraw/zinc/76/70/92/763767092.db2.gz BBCUVIOSENNOHU-OAHLLOKOSA-N 1 1 330.407 0.615 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071540 763771844 /nfs/dbraw/zinc/77/18/44/763771844.db2.gz VIKFTSFNYYHUGR-GBESFXJTSA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071540 763771853 /nfs/dbraw/zinc/77/18/53/763771853.db2.gz VIKFTSFNYYHUGR-GBESFXJTSA-N 1 1 346.519 0.959 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc(-c3ncon3)c2)[C@@H](O)C1 ZINC001083771943 763780354 /nfs/dbraw/zinc/78/03/54/763780354.db2.gz SPAIGOKVPUPWKK-CABCVRRESA-N 1 1 326.356 0.535 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047184989 763781182 /nfs/dbraw/zinc/78/11/82/763781182.db2.gz KWNZUXHYDYGNLS-ZNMIVQPWSA-N 1 1 329.400 0.669 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3Cc4ccncc4C3)C2)CC1 ZINC001052083112 763804388 /nfs/dbraw/zinc/80/43/88/763804388.db2.gz JMIVEIVYUCUCBI-IEBWSBKVSA-N 1 1 338.455 0.648 20 30 ECEDMO C=C(C)CC[NH+]1CC(N2CCN(C(=O)CCc3c[nH]nn3)CC2)C1 ZINC000941570839 763805369 /nfs/dbraw/zinc/80/53/69/763805369.db2.gz DOUFDYOPCSEYBI-UHFFFAOYSA-N 1 1 332.452 0.532 20 30 ECEDMO C=C(C)CC[NH+]1CC(N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC000941570839 763805374 /nfs/dbraw/zinc/80/53/74/763805374.db2.gz DOUFDYOPCSEYBI-UHFFFAOYSA-N 1 1 332.452 0.532 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccn(C)c3C)C2)C1=O ZINC001031961828 763812022 /nfs/dbraw/zinc/81/20/22/763812022.db2.gz YFIKVCSPLSTGNG-INIZCTEOSA-N 1 1 330.432 0.782 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001052092159 763833685 /nfs/dbraw/zinc/83/36/85/763833685.db2.gz UPZAQAVVHNEIOU-MLHJIOFPSA-N 1 1 331.460 0.796 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)CC1 ZINC001052093515 763838785 /nfs/dbraw/zinc/83/87/85/763838785.db2.gz QOZAZQMBCDADDP-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1Cl ZINC001106026327 763854430 /nfs/dbraw/zinc/85/44/30/763854430.db2.gz DLRMDCGTNNFFQC-LBPRGKRZSA-N 1 1 348.794 0.701 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(CCC)nn3)C2)CC1 ZINC001052102617 763867075 /nfs/dbraw/zinc/86/70/75/763867075.db2.gz FXXZLANDWGGFRZ-HNNXBMFYSA-N 1 1 332.452 0.706 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)Cc3cnn(C)c3)C2)CC1 ZINC001052103740 763870450 /nfs/dbraw/zinc/87/04/50/763870450.db2.gz UEJKPTQOZFKXIU-SJLPKXTDSA-N 1 1 343.475 0.450 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106233 763880065 /nfs/dbraw/zinc/88/00/65/763880065.db2.gz GDQDTWOXBKWJCE-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106526 763881538 /nfs/dbraw/zinc/88/15/38/763881538.db2.gz NLWOIXKGHHQGFK-KRWDZBQOSA-N 1 1 329.448 0.297 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)nn(C)c3F)C2)CC1 ZINC001052112897 763909034 /nfs/dbraw/zinc/90/90/34/763909034.db2.gz GYYXFCBZFSDTGU-CQSZACIVSA-N 1 1 335.427 0.886 20 30 ECEDMO Cn1cncc1CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052113163 763911027 /nfs/dbraw/zinc/91/10/27/763911027.db2.gz OHIFJABDJMPFHN-MRXNPFEDSA-N 1 1 330.436 0.095 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)CC1 ZINC001052113261 763911124 /nfs/dbraw/zinc/91/11/24/763911124.db2.gz QPBDXAHNLHOCBZ-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO N#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052113567 763914072 /nfs/dbraw/zinc/91/40/72/763914072.db2.gz ZLVAFMLONAUTJB-HOTGVXAUSA-N 1 1 347.463 0.177 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)CN3CCCCCC3=O)C2)CC1 ZINC001052117644 763928597 /nfs/dbraw/zinc/92/85/97/763928597.db2.gz VYOXDXGDGQNZNL-QGZVFWFLSA-N 1 1 348.491 0.794 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3CCCCCC3=O)C2)CC1 ZINC001052117644 763928604 /nfs/dbraw/zinc/92/86/04/763928604.db2.gz VYOXDXGDGQNZNL-QGZVFWFLSA-N 1 1 348.491 0.794 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052118968 763935536 /nfs/dbraw/zinc/93/55/36/763935536.db2.gz FCDJBBJUKMGIMW-DOTOQJQBSA-N 1 1 343.475 0.919 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCn3cc(Cl)cn3)C2)CC1 ZINC001052119792 763937937 /nfs/dbraw/zinc/93/79/37/763937937.db2.gz VWKUZEHEVJJAHE-INIZCTEOSA-N 1 1 349.866 0.778 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)C2)CC1 ZINC001052121818 763943256 /nfs/dbraw/zinc/94/32/56/763943256.db2.gz HVQLQLIEUVGOIH-QZTJIDSGSA-N 1 1 343.475 0.913 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(N(C)C)cn3)C2)CC1 ZINC001052123749 763949984 /nfs/dbraw/zinc/94/99/84/763949984.db2.gz ORNWJQOBZGECKY-QGZVFWFLSA-N 1 1 341.459 0.613 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCC2CC(Nc3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001052124547 763953201 /nfs/dbraw/zinc/95/32/01/763953201.db2.gz NTHSKBFXEDOUTP-BNQIPGGESA-N 1 1 328.420 0.995 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(C(C)C)n[nH]3)C2)C1=O ZINC001031996793 764033701 /nfs/dbraw/zinc/03/37/01/764033701.db2.gz SJBWVFLCAADIEI-INIZCTEOSA-N 1 1 345.447 0.982 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001052206326 764052618 /nfs/dbraw/zinc/05/26/18/764052618.db2.gz GJNFZTWXSWTCHT-UKRRQHHQSA-N 1 1 334.420 0.605 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001047342148 764055831 /nfs/dbraw/zinc/05/58/31/764055831.db2.gz UJNPTFLVXHFFSS-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001047342148 764055837 /nfs/dbraw/zinc/05/58/37/764055837.db2.gz UJNPTFLVXHFFSS-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001047353646 764090024 /nfs/dbraw/zinc/09/00/24/764090024.db2.gz MJSROOUXWINLCG-BPUTZDHNSA-N 1 1 346.431 0.819 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001047354114 764091168 /nfs/dbraw/zinc/09/11/68/764091168.db2.gz ZXJAFPUXMLDWDR-JQFCIGGWSA-N 1 1 346.431 0.820 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3ccon3)CC2)C1=O ZINC001052260951 764149062 /nfs/dbraw/zinc/14/90/62/764149062.db2.gz QYGISCLAXOWUIG-HOCLYGCPSA-N 1 1 346.431 0.975 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001047398423 764215264 /nfs/dbraw/zinc/21/52/64/764215264.db2.gz NXQUXNMLNPDBKB-PMPSAXMXSA-N 1 1 335.448 0.018 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001047398423 764215269 /nfs/dbraw/zinc/21/52/69/764215269.db2.gz NXQUXNMLNPDBKB-PMPSAXMXSA-N 1 1 335.448 0.018 20 30 ECEDMO C=CCOCC(=O)NCC[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC001124765189 764220482 /nfs/dbraw/zinc/22/04/82/764220482.db2.gz NXOWZJJGYVSVBA-UHFFFAOYSA-N 1 1 330.388 0.342 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn3c(c2C)OCCC3)C1 ZINC001047405607 764239462 /nfs/dbraw/zinc/23/94/62/764239462.db2.gz MOKDGTXJSLVMLO-KBPBESRZSA-N 1 1 334.420 0.667 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001083778315 764252462 /nfs/dbraw/zinc/25/24/62/764252462.db2.gz ILDQWZWDXSQIMU-UHOSZYNNSA-N 1 1 341.455 0.684 20 30 ECEDMO CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001047409755 764257991 /nfs/dbraw/zinc/25/79/91/764257991.db2.gz YDEXBEGOSZQHGQ-BZSNNMDCSA-N 1 1 333.476 0.920 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001106987263 764268303 /nfs/dbraw/zinc/26/83/03/764268303.db2.gz AFTDPWWITLTLKY-CQSZACIVSA-N 1 1 330.436 0.905 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000995269652 764271497 /nfs/dbraw/zinc/27/14/97/764271497.db2.gz SEKNIIDETJGIQF-IRXDYDNUSA-N 1 1 340.427 0.644 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001047415184 764273505 /nfs/dbraw/zinc/27/35/05/764273505.db2.gz LKRABYZCFBTRHD-BZSNNMDCSA-N 1 1 349.475 0.157 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H](CC)OC)C[C@@H]1O ZINC001047415361 764274770 /nfs/dbraw/zinc/27/47/70/764274770.db2.gz VNWZFBFYGHMULW-QZWWFDLISA-N 1 1 337.464 0.013 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2-n2ccnn2)C1 ZINC001047422110 764296310 /nfs/dbraw/zinc/29/63/10/764296310.db2.gz DVGWPXMEHSTWEA-STQMWFEESA-N 1 1 333.417 0.632 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2-n2ccnn2)C1 ZINC001047422110 764296318 /nfs/dbraw/zinc/29/63/18/764296318.db2.gz DVGWPXMEHSTWEA-STQMWFEESA-N 1 1 333.417 0.632 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)C1 ZINC001106069076 764298288 /nfs/dbraw/zinc/29/82/88/764298288.db2.gz LCTJUTUODADNAD-DZGCQCFKSA-N 1 1 346.435 0.359 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3ccccc3n2)C1 ZINC001047431720 764325224 /nfs/dbraw/zinc/32/52/24/764325224.db2.gz CEEVHVXZMVXHHD-HOTGVXAUSA-N 1 1 326.400 0.404 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3ccccc3n2)C1 ZINC001047431720 764325233 /nfs/dbraw/zinc/32/52/33/764325233.db2.gz CEEVHVXZMVXHHD-HOTGVXAUSA-N 1 1 326.400 0.404 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001047436247 764338824 /nfs/dbraw/zinc/33/88/24/764338824.db2.gz VKOMVVMDEJKKHU-HOTGVXAUSA-N 1 1 327.388 0.775 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001047436247 764338829 /nfs/dbraw/zinc/33/88/29/764338829.db2.gz VKOMVVMDEJKKHU-HOTGVXAUSA-N 1 1 327.388 0.775 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cc[nH]c(=O)c3s2)C1 ZINC001047437909 764342777 /nfs/dbraw/zinc/34/27/77/764342777.db2.gz CDKYRKUTWSRREC-STQMWFEESA-N 1 1 345.424 0.730 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cc[nH]c(=O)c3s2)C1 ZINC001047437909 764342783 /nfs/dbraw/zinc/34/27/83/764342783.db2.gz CDKYRKUTWSRREC-STQMWFEESA-N 1 1 345.424 0.730 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(n2)OCCO3)C1 ZINC001047441656 764356577 /nfs/dbraw/zinc/35/65/77/764356577.db2.gz LHCRVFDELNKXMJ-GJZGRUSLSA-N 1 1 347.415 0.936 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001047442250 764359912 /nfs/dbraw/zinc/35/99/12/764359912.db2.gz WBKWIIXTXAXJLB-KBPBESRZSA-N 1 1 330.388 0.269 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cc(C)sc3n2)C1 ZINC001047442242 764360318 /nfs/dbraw/zinc/36/03/18/764360318.db2.gz VRHLUICJWFFASP-GJZGRUSLSA-N 1 1 346.456 0.774 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cc(C)sc3n2)C1 ZINC001047442242 764360323 /nfs/dbraw/zinc/36/03/23/764360323.db2.gz VRHLUICJWFFASP-GJZGRUSLSA-N 1 1 346.456 0.774 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2N2CCCC2)C1 ZINC001047445837 764369502 /nfs/dbraw/zinc/36/95/02/764369502.db2.gz NBEJCNUXXZRBJW-IRXDYDNUSA-N 1 1 342.443 0.822 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001047468851 764429614 /nfs/dbraw/zinc/42/96/14/764429614.db2.gz XSQDUPLMJDCQMV-JYJNAYRXSA-N 1 1 347.463 0.619 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001047470779 764435323 /nfs/dbraw/zinc/43/53/23/764435323.db2.gz DMRBQSRLSZIRFC-GJZGRUSLSA-N 1 1 328.372 0.810 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3cc(F)ccc3n2)C1 ZINC001047472403 764440891 /nfs/dbraw/zinc/44/08/91/764440891.db2.gz BDDCZEQTFUVVOP-HOTGVXAUSA-N 1 1 344.390 0.543 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001047472979 764442110 /nfs/dbraw/zinc/44/21/10/764442110.db2.gz JCVPSRYQUNRWCJ-KBMXLJTQSA-N 1 1 346.431 0.064 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 ZINC001047472979 764442115 /nfs/dbraw/zinc/44/21/15/764442115.db2.gz JCVPSRYQUNRWCJ-KBMXLJTQSA-N 1 1 346.431 0.064 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCOC2)C1 ZINC001111644231 764456242 /nfs/dbraw/zinc/45/62/42/764456242.db2.gz ONDGYIZHOBPLQM-VKJFTORMSA-N 1 1 335.448 0.686 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@@H](O)CN(C)C(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001124866173 764459842 /nfs/dbraw/zinc/45/98/42/764459842.db2.gz WANTWUNKKHWREW-HZPDHXFCSA-N 1 1 345.447 0.977 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001047479300 764464732 /nfs/dbraw/zinc/46/47/32/764464732.db2.gz IROJAEBIPDEYAM-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001047479300 764464733 /nfs/dbraw/zinc/46/47/33/764464733.db2.gz IROJAEBIPDEYAM-GJZGRUSLSA-N 1 1 327.388 0.570 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001047479245 764464788 /nfs/dbraw/zinc/46/47/88/764464788.db2.gz LIBUDHPBBNJUFF-HOTGVXAUSA-N 1 1 341.415 0.487 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001047479245 764464789 /nfs/dbraw/zinc/46/47/89/764464789.db2.gz LIBUDHPBBNJUFF-HOTGVXAUSA-N 1 1 341.415 0.487 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC001052426730 764468452 /nfs/dbraw/zinc/46/84/52/764468452.db2.gz RZJNNVQIXGEZJE-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CNC(=O)C1 ZINC001015374649 764470134 /nfs/dbraw/zinc/47/01/34/764470134.db2.gz DPCCVRZWDPOJTJ-CRAIPNDOSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)CNC(=O)C1 ZINC001015374491 764470404 /nfs/dbraw/zinc/47/04/04/764470404.db2.gz DBVYPKCOGVZOFE-VQIMIIECSA-N 1 1 325.412 0.755 20 30 ECEDMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CNC(=O)C1 ZINC001015374491 764470410 /nfs/dbraw/zinc/47/04/10/764470410.db2.gz DBVYPKCOGVZOFE-VQIMIIECSA-N 1 1 325.412 0.755 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)cc1 ZINC001047480758 764471067 /nfs/dbraw/zinc/47/10/67/764471067.db2.gz RFHXHGQGUPRBQU-IKGGRYGDSA-N 1 1 341.411 0.064 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)cc1 ZINC001047480758 764471069 /nfs/dbraw/zinc/47/10/69/764471069.db2.gz RFHXHGQGUPRBQU-IKGGRYGDSA-N 1 1 341.411 0.064 20 30 ECEDMO N#Cc1cccc(C[NH+]2CC(CNC(=O)c3cc(C(N)=O)c[nH]3)C2)c1 ZINC001032075875 764471303 /nfs/dbraw/zinc/47/13/03/764471303.db2.gz YPRNISILBPALRY-UHFFFAOYSA-N 1 1 337.383 0.847 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(=O)c3ccccc23)C1 ZINC001047480665 764471535 /nfs/dbraw/zinc/47/15/35/764471535.db2.gz PCUIOCNWLMBMST-HOTGVXAUSA-N 1 1 326.352 0.543 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(=O)c3ccccc23)C1 ZINC001047480665 764471544 /nfs/dbraw/zinc/47/15/44/764471544.db2.gz PCUIOCNWLMBMST-HOTGVXAUSA-N 1 1 326.352 0.543 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001047503982 764535246 /nfs/dbraw/zinc/53/52/46/764535246.db2.gz ULYJMCGXMDNVHK-IHRRRGAJSA-N 1 1 349.397 0.950 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001047504547 764537443 /nfs/dbraw/zinc/53/74/43/764537443.db2.gz NKYGPSDUFRGPQU-RDBSUJKOSA-N 1 1 331.407 0.653 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001047504547 764537445 /nfs/dbraw/zinc/53/74/45/764537445.db2.gz NKYGPSDUFRGPQU-RDBSUJKOSA-N 1 1 331.407 0.653 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cncn2C)CC1 ZINC001052457870 764542800 /nfs/dbraw/zinc/54/28/00/764542800.db2.gz WHIOUQLYMRFGKL-WMZOPIPTSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccncc3)on2)C1 ZINC001047509487 764547452 /nfs/dbraw/zinc/54/74/52/764547452.db2.gz WPTWBWMWIRBLKS-HOTGVXAUSA-N 1 1 340.383 0.877 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cncc(C)c3)C2)C1=O ZINC001015409755 764555654 /nfs/dbraw/zinc/55/56/54/764555654.db2.gz UYCLXXOAKOESKF-DLBZAZTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cncc(C)c3)C2)C1=O ZINC001015409755 764555657 /nfs/dbraw/zinc/55/56/57/764555657.db2.gz UYCLXXOAKOESKF-DLBZAZTESA-N 1 1 342.443 0.910 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001047514003 764558112 /nfs/dbraw/zinc/55/81/12/764558112.db2.gz TZIKIDMLVGRVHC-HOTGVXAUSA-N 1 1 333.436 0.528 20 30 ECEDMO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001047514003 764558121 /nfs/dbraw/zinc/55/81/21/764558121.db2.gz TZIKIDMLVGRVHC-HOTGVXAUSA-N 1 1 333.436 0.528 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001047520755 764578310 /nfs/dbraw/zinc/57/83/10/764578310.db2.gz AZKUFVUFDBKJBH-IRXDYDNUSA-N 1 1 345.443 0.798 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047540161 764634578 /nfs/dbraw/zinc/63/45/78/764634578.db2.gz SXZVASWFKUIBKK-OWSLCNJRSA-N 1 1 342.443 0.359 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCn1cnnn1 ZINC001089879597 764634615 /nfs/dbraw/zinc/63/46/15/764634615.db2.gz DDNJYDJHJAFMFK-FZKCQIBNSA-N 1 1 328.420 0.255 20 30 ECEDMO C[C@H](CCNc1cnc(C#N)cn1)NC(=O)CC[NH+]1CCOCC1 ZINC001106383264 768229193 /nfs/dbraw/zinc/22/91/93/768229193.db2.gz PLJZECSQQAXSSY-CYBMUJFWSA-N 1 1 332.408 0.377 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC001047546195 764652715 /nfs/dbraw/zinc/65/27/15/764652715.db2.gz YHUVBRDAGVUEJS-GJZGRUSLSA-N 1 1 330.388 0.431 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001047547818 764657738 /nfs/dbraw/zinc/65/77/38/764657738.db2.gz CUVOZEBDEOSYEJ-JYJNAYRXSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cnccc2=O)C1 ZINC001089882806 764660759 /nfs/dbraw/zinc/66/07/59/764660759.db2.gz GRGRBIPZTCULSJ-QAETUUGQSA-N 1 1 340.427 0.435 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(=O)(=O)C(C)C ZINC001099554228 764663191 /nfs/dbraw/zinc/66/31/91/764663191.db2.gz YIKIHCRHTHHZCL-JONQDZQNSA-N 1 1 338.473 0.612 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001047553935 764678759 /nfs/dbraw/zinc/67/87/59/764678759.db2.gz FCGRHIUFKZCLIS-PMPSAXMXSA-N 1 1 328.412 0.862 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001047553935 764678769 /nfs/dbraw/zinc/67/87/69/764678769.db2.gz FCGRHIUFKZCLIS-PMPSAXMXSA-N 1 1 328.412 0.862 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001089884781 764685063 /nfs/dbraw/zinc/68/50/63/764685063.db2.gz WLWBEMHZWOEXLY-FAYQHZLMSA-N 1 1 340.427 0.919 20 30 ECEDMO C#CCOc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)cc1 ZINC001047555636 764685496 /nfs/dbraw/zinc/68/54/96/764685496.db2.gz JZGAIGSTFXWMKB-IRXDYDNUSA-N 1 1 332.400 0.198 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001052528436 764697385 /nfs/dbraw/zinc/69/73/85/764697385.db2.gz DUXFNJGKNXPZJJ-SJORKVTESA-N 1 1 349.475 0.579 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](C)[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001052528434 764698028 /nfs/dbraw/zinc/69/80/28/764698028.db2.gz DUXFNJGKNXPZJJ-IRXDYDNUSA-N 1 1 349.475 0.579 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccnn2C(C)C)C1 ZINC000991929940 764709103 /nfs/dbraw/zinc/70/91/03/764709103.db2.gz SSYSXZCNSYGYSN-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccnn2C(C)C)C1 ZINC000991929940 764709109 /nfs/dbraw/zinc/70/91/09/764709109.db2.gz SSYSXZCNSYGYSN-INIZCTEOSA-N 1 1 343.431 0.502 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)cc1 ZINC001015487926 764763177 /nfs/dbraw/zinc/76/31/77/764763177.db2.gz NUUUVBGVXJVPHI-ZWKOTPCHSA-N 1 1 338.411 0.730 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(N3CCOCC3)CCC2)C1 ZINC001047580585 764763221 /nfs/dbraw/zinc/76/32/21/764763221.db2.gz LZZSECRUIOZNEC-HOTGVXAUSA-N 1 1 337.464 0.321 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC001052563151 764767193 /nfs/dbraw/zinc/76/71/93/764767193.db2.gz IWNSBMUEGFPRFW-HNNXBMFYSA-N 1 1 343.493 0.959 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1OC ZINC001212194447 764770584 /nfs/dbraw/zinc/77/05/84/764770584.db2.gz SEEKTGXXGYDSES-BFYDXBDKSA-N 1 1 326.437 0.698 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccn[nH]2)C1 ZINC000991933433 764772852 /nfs/dbraw/zinc/77/28/52/764772852.db2.gz KLFIFBZYBCUUCA-PIMMBPRGSA-N 1 1 329.404 0.132 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccn[nH]2)C1 ZINC000991933433 764772859 /nfs/dbraw/zinc/77/28/59/764772859.db2.gz KLFIFBZYBCUUCA-PIMMBPRGSA-N 1 1 329.404 0.132 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001047589892 764797481 /nfs/dbraw/zinc/79/74/81/764797481.db2.gz QCFMKKRLKIKLLN-BPUTZDHNSA-N 1 1 349.435 0.323 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001047592345 764805257 /nfs/dbraw/zinc/80/52/57/764805257.db2.gz KUFXVFLFUKGGCZ-GJZGRUSLSA-N 1 1 344.419 0.503 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nn(C(C)C)c2C)C1 ZINC001047592058 764805613 /nfs/dbraw/zinc/80/56/13/764805613.db2.gz DGMPOYOZEZHQBB-IRXDYDNUSA-N 1 1 332.448 0.760 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nn(C(C)C)c2C)C1 ZINC001047592058 764805619 /nfs/dbraw/zinc/80/56/19/764805619.db2.gz DGMPOYOZEZHQBB-IRXDYDNUSA-N 1 1 332.448 0.760 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2C(F)F)C1 ZINC001047592271 764805684 /nfs/dbraw/zinc/80/56/84/764805684.db2.gz IARFXDOMAVKJOY-RYUDHWBXSA-N 1 1 326.347 0.498 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)CC1 ZINC001052590022 764810841 /nfs/dbraw/zinc/81/08/41/764810841.db2.gz UEAFWJJWSDGHSF-LSDHHAIUSA-N 1 1 326.462 0.948 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)CC1 ZINC001052590022 764810846 /nfs/dbraw/zinc/81/08/46/764810846.db2.gz UEAFWJJWSDGHSF-LSDHHAIUSA-N 1 1 326.462 0.948 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001047602577 764850664 /nfs/dbraw/zinc/85/06/64/764850664.db2.gz TZXQTGFLMHIVKS-HOTGVXAUSA-N 1 1 340.383 0.877 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3[nH]nnc3C)CC2)C1=O ZINC001052618208 764858720 /nfs/dbraw/zinc/85/87/20/764858720.db2.gz SDRVTGHEZUODSR-ZIAGYGMSSA-N 1 1 346.435 0.484 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015529128 764895896 /nfs/dbraw/zinc/89/58/96/764895896.db2.gz BVINBJPLPLDDJI-RISCZKNCSA-N 1 1 332.429 0.931 20 30 ECEDMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015529128 764895904 /nfs/dbraw/zinc/89/59/04/764895904.db2.gz BVINBJPLPLDDJI-RISCZKNCSA-N 1 1 332.429 0.931 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1=O ZINC001015544272 764920115 /nfs/dbraw/zinc/92/01/15/764920115.db2.gz DMSCSWYUZZXCMM-SMDDNHRTSA-N 1 1 332.429 0.789 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1=O ZINC001015544272 764920120 /nfs/dbraw/zinc/92/01/20/764920120.db2.gz DMSCSWYUZZXCMM-SMDDNHRTSA-N 1 1 332.429 0.789 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)C#CC2CC2)[C@H](C)C1 ZINC001052642910 764922130 /nfs/dbraw/zinc/92/21/30/764922130.db2.gz VXOMSCHRPRSDTJ-CZUORRHYSA-N 1 1 328.416 0.816 20 30 ECEDMO C=C(Br)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047627702 764925435 /nfs/dbraw/zinc/92/54/35/764925435.db2.gz UZUGYIHTZZHFAU-AGIUHOORSA-N 1 1 346.269 0.350 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)CC2)cc1 ZINC001052670093 764968602 /nfs/dbraw/zinc/96/86/02/764968602.db2.gz ADZOZURUCVARBK-HZPDHXFCSA-N 1 1 341.415 0.710 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001052670890 764971045 /nfs/dbraw/zinc/97/10/45/764971045.db2.gz JIFLDTUJLIHHMH-CVEARBPZSA-N 1 1 341.415 0.710 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015600622 765036980 /nfs/dbraw/zinc/03/69/80/765036980.db2.gz HJRPFLBWOSDSRF-DLBZAZTESA-N 1 1 325.412 0.849 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015600622 765036986 /nfs/dbraw/zinc/03/69/86/765036986.db2.gz HJRPFLBWOSDSRF-DLBZAZTESA-N 1 1 325.412 0.849 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC1 ZINC001052733692 765051603 /nfs/dbraw/zinc/05/16/03/765051603.db2.gz PNTWXXHQPIIQCE-AWEZNQCLSA-N 1 1 330.432 0.959 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3c[nH]cn3)CC2)C1=O ZINC001052749725 765063629 /nfs/dbraw/zinc/06/36/29/765063629.db2.gz ZLSQRXSBTPKKLO-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001052799885 765143325 /nfs/dbraw/zinc/14/33/25/765143325.db2.gz YJKHCRZGQZPFMQ-NSHDSACASA-N 1 1 328.800 0.261 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC001015678888 765150461 /nfs/dbraw/zinc/15/04/61/765150461.db2.gz PKIZXFXXFWMDFN-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC001015678888 765150463 /nfs/dbraw/zinc/15/04/63/765150463.db2.gz PKIZXFXXFWMDFN-HOTGVXAUSA-N 1 1 326.400 0.488 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1 ZINC001015697368 765181985 /nfs/dbraw/zinc/18/19/85/765181985.db2.gz SKHXWWXRUDAEJD-OWCLPIDISA-N 1 1 342.399 0.282 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC001052842913 765215713 /nfs/dbraw/zinc/21/57/13/765215713.db2.gz FAHAOSRNZOHIGN-ZDUSSCGKSA-N 1 1 334.420 0.311 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000992047549 765278155 /nfs/dbraw/zinc/27/81/55/765278155.db2.gz TWLPDPFXNAZLPS-DNOWBOINSA-N 1 1 343.431 0.853 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)CC2)cn1 ZINC001052877380 765283494 /nfs/dbraw/zinc/28/34/94/765283494.db2.gz KRQSAUNRSZEDFR-INIZCTEOSA-N 1 1 328.416 0.735 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)CC1 ZINC001052902078 765320553 /nfs/dbraw/zinc/32/05/53/765320553.db2.gz XCVNIWRHQVDNOM-GFCCVEGCSA-N 1 1 325.372 0.948 20 30 ECEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001052928677 765365444 /nfs/dbraw/zinc/36/54/44/765365444.db2.gz GOMRGDWESDFBBH-HNNXBMFYSA-N 1 1 343.493 0.264 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](CC)C(N)=O)C2)cc1 ZINC001015808710 765365819 /nfs/dbraw/zinc/36/58/19/765365819.db2.gz CBEBSKKJZJANNC-ZBFHGGJFSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](CC)C(N)=O)C2)cc1 ZINC001015808710 765365827 /nfs/dbraw/zinc/36/58/27/765365827.db2.gz CBEBSKKJZJANNC-ZBFHGGJFSA-N 1 1 329.400 0.767 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000992071383 765366268 /nfs/dbraw/zinc/36/62/68/765366268.db2.gz OBYWJBAPIGZCSX-IMJJTQAJSA-N 1 1 335.448 0.636 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)nn1 ZINC001015810545 765368647 /nfs/dbraw/zinc/36/86/47/765368647.db2.gz LYWZHWYJWLEOPB-UONOGXRCSA-N 1 1 346.435 0.185 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN([C@H](C)C(N)=O)CC2)CC1 ZINC001052954554 765409729 /nfs/dbraw/zinc/40/97/29/765409729.db2.gz OXDISGJRXMETKL-GDBMZVCRSA-N 1 1 334.464 0.176 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C2)c1 ZINC001015838406 765415632 /nfs/dbraw/zinc/41/56/32/765415632.db2.gz NMUOZAGSLAVCAG-OAHLLOKOSA-N 1 1 340.383 0.302 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ccnc3)CC2)C1=O ZINC001052970854 765433455 /nfs/dbraw/zinc/43/34/55/765433455.db2.gz ZVKPMSMYQMDWFO-HZPDHXFCSA-N 1 1 345.447 0.641 20 30 ECEDMO C=CCCOCC(=O)NC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001052987264 765464342 /nfs/dbraw/zinc/46/43/42/765464342.db2.gz LJJSHSODWUVYCY-GOEBONIOSA-N 1 1 348.447 0.995 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cnon3)C2)cc1 ZINC001015876151 765484429 /nfs/dbraw/zinc/48/44/29/765484429.db2.gz GVPMMWDIGISSHS-CYBMUJFWSA-N 1 1 327.344 0.976 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cnon3)C2)cc1 ZINC001015876151 765484435 /nfs/dbraw/zinc/48/44/35/765484435.db2.gz GVPMMWDIGISSHS-CYBMUJFWSA-N 1 1 327.344 0.976 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001046689384 768297349 /nfs/dbraw/zinc/29/73/49/768297349.db2.gz IVSWTLVKLMKOBJ-DZGCQCFKSA-N 1 1 329.466 0.567 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)cn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001127237769 765678275 /nfs/dbraw/zinc/67/82/75/765678275.db2.gz PAHDCJDMGAJSSW-HNNXBMFYSA-N 1 1 347.419 0.171 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)cn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001127237769 765678277 /nfs/dbraw/zinc/67/82/77/765678277.db2.gz PAHDCJDMGAJSSW-HNNXBMFYSA-N 1 1 347.419 0.171 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001016027002 765730008 /nfs/dbraw/zinc/73/00/08/765730008.db2.gz KRZOOMODZOGKJV-SWLSCSKDSA-N 1 1 326.400 0.534 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001016027002 765730011 /nfs/dbraw/zinc/73/00/11/765730011.db2.gz KRZOOMODZOGKJV-SWLSCSKDSA-N 1 1 326.400 0.534 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc1F ZINC001016028685 765731209 /nfs/dbraw/zinc/73/12/09/765731209.db2.gz AUDRMEQXXBAOJX-HIFRSBDPSA-N 1 1 330.363 0.666 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc1F ZINC001016028685 765731212 /nfs/dbraw/zinc/73/12/12/765731212.db2.gz AUDRMEQXXBAOJX-HIFRSBDPSA-N 1 1 330.363 0.666 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)cn1 ZINC001016033246 765735692 /nfs/dbraw/zinc/73/56/92/765735692.db2.gz HMVRXILDKPEDHI-JKSUJKDBSA-N 1 1 336.399 0.646 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2C)CC[N@H+]1C ZINC001053214567 765773499 /nfs/dbraw/zinc/77/34/99/765773499.db2.gz UUBBGHDGOKCPRI-IXYNUQLISA-N 1 1 342.447 0.877 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C)n1 ZINC001106107773 765837751 /nfs/dbraw/zinc/83/77/51/765837751.db2.gz DJDDROQCLFYWTJ-CQSZACIVSA-N 1 1 348.451 0.524 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001106108030 765841485 /nfs/dbraw/zinc/84/14/85/765841485.db2.gz FUSZVEXCTBHBLS-JSGCOSHPSA-N 1 1 332.408 0.030 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)C[N@H+]2CCC(C)(C)C2)n1 ZINC001106109357 765876299 /nfs/dbraw/zinc/87/62/99/765876299.db2.gz XHLKFHYEAKDEQX-AWEZNQCLSA-N 1 1 346.435 0.278 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CCO2 ZINC001053285076 765904416 /nfs/dbraw/zinc/90/44/16/765904416.db2.gz KBBHHXBTBWWOII-QGZVFWFLSA-N 1 1 333.476 0.901 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CCO2 ZINC001053287266 765910320 /nfs/dbraw/zinc/91/03/20/765910320.db2.gz RJVHZTDYXGGCIU-HNNXBMFYSA-N 1 1 328.416 0.697 20 30 ECEDMO C#CCCN1CC2(C1)CN(C(=O)c1cc(C[NH+](C)C)on1)CCO2 ZINC001053321860 765969080 /nfs/dbraw/zinc/96/90/80/765969080.db2.gz PISYMMTUGUQFSJ-UHFFFAOYSA-N 1 1 332.404 0.286 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CCO2 ZINC001053429053 766117334 /nfs/dbraw/zinc/11/73/34/766117334.db2.gz DGPUABLVBRTNRJ-INIZCTEOSA-N 1 1 342.443 0.690 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001017757762 768349974 /nfs/dbraw/zinc/34/99/74/768349974.db2.gz GHQTUXFUFNEEFI-GUTXKFCHSA-N 1 1 329.404 0.617 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001017757762 768349978 /nfs/dbraw/zinc/34/99/78/768349978.db2.gz GHQTUXFUFNEEFI-GUTXKFCHSA-N 1 1 329.404 0.617 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001017761461 768352229 /nfs/dbraw/zinc/35/22/29/768352229.db2.gz PQUKYGQIQQFWQN-GUTXKFCHSA-N 1 1 329.404 0.617 20 30 ECEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@@H](CC)C(N)=O)CC3)nn1 ZINC000992300461 766199519 /nfs/dbraw/zinc/19/95/19/766199519.db2.gz FVVSBUHTNMIRDU-ZQIUZPCESA-N 1 1 346.435 0.455 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016406083 766242929 /nfs/dbraw/zinc/24/29/29/766242929.db2.gz FCPUXRNHUTXOOS-GRTSSRMGSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)[C@@H](O)C1 ZINC001083688006 766244958 /nfs/dbraw/zinc/24/49/58/766244958.db2.gz VUPCMEPSDAVPMS-CVEARBPZSA-N 1 1 337.464 0.618 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)C1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016420955 766267461 /nfs/dbraw/zinc/26/74/61/766267461.db2.gz YNLMKOZPERAXIW-ZOODHJKOSA-N 1 1 329.404 0.557 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001045773100 766351756 /nfs/dbraw/zinc/35/17/56/766351756.db2.gz WGKQUAJRYFCFTQ-HOCLYGCPSA-N 1 1 349.475 0.620 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2O)cc1 ZINC001083690748 766352481 /nfs/dbraw/zinc/35/24/81/766352481.db2.gz IWABKRFRAVSEJW-NXHRZFHOSA-N 1 1 328.412 0.869 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@H]12 ZINC000992352818 766353645 /nfs/dbraw/zinc/35/36/45/766353645.db2.gz PUVQBOMIPOBJMN-YJBOKZPZSA-N 1 1 328.416 0.607 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001016522868 766428007 /nfs/dbraw/zinc/42/80/07/766428007.db2.gz NAGNVBOIJVZUEL-SSDMNJCBSA-N 1 1 346.435 0.278 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1COCCN1CC)O2 ZINC001053620672 766455467 /nfs/dbraw/zinc/45/54/67/766455467.db2.gz SGWIQVKFABRFOK-CVEARBPZSA-N 1 1 335.448 0.080 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(C)c1CC)O2 ZINC001053621218 766457139 /nfs/dbraw/zinc/45/71/39/766457139.db2.gz CGOGUIKDLFTUSA-CQSZACIVSA-N 1 1 330.432 0.969 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001045883797 766464361 /nfs/dbraw/zinc/46/43/61/766464361.db2.gz ZSBBLFRMFNTMIP-SJORKVTESA-N 1 1 325.412 0.761 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001045883797 766464366 /nfs/dbraw/zinc/46/43/66/766464366.db2.gz ZSBBLFRMFNTMIP-SJORKVTESA-N 1 1 325.412 0.761 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccnn1C)O2 ZINC001053629158 766476470 /nfs/dbraw/zinc/47/64/70/766476470.db2.gz HTELMGRJIAWFTC-ARFHVFGLSA-N 1 1 342.443 0.897 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001045943828 766514070 /nfs/dbraw/zinc/51/40/70/766514070.db2.gz POJHCAUWJFFVOI-LPHOPBHVSA-N 1 1 346.475 0.274 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNc1nccnc1C#N ZINC001053653764 766518125 /nfs/dbraw/zinc/51/81/25/766518125.db2.gz XXCXAAATKMJANL-NFAWXSAZSA-N 1 1 328.420 0.949 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(=O)cc1OC)O2 ZINC001053659904 766531420 /nfs/dbraw/zinc/53/14/20/766531420.db2.gz BLKOJABAHCWNNO-CYBMUJFWSA-N 1 1 345.399 0.782 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)O2 ZINC001053663320 766535909 /nfs/dbraw/zinc/53/59/09/766535909.db2.gz MPYFHNXHORUUPO-ILXRZTDVSA-N 1 1 333.432 0.261 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cnnn1)C2 ZINC001045977057 766548316 /nfs/dbraw/zinc/54/83/16/766548316.db2.gz QISOFQMLDWEREW-QGZVFWFLSA-N 1 1 330.436 0.791 20 30 ECEDMO COCC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC001045990643 766569352 /nfs/dbraw/zinc/56/93/52/766569352.db2.gz VSOAIRDXCAREJU-CQSZACIVSA-N 1 1 348.472 0.985 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCN(C(=O)CC)C1)O2 ZINC001053689041 766594445 /nfs/dbraw/zinc/59/44/45/766594445.db2.gz ZZFCWSDRJWAQDZ-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3snnc3C)CC2)C1 ZINC001046002707 766605326 /nfs/dbraw/zinc/60/53/26/766605326.db2.gz MMGKFHCFEYEZEE-AWEZNQCLSA-N 1 1 333.461 0.702 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCN(C(N)=O)CC1)O2 ZINC001053697155 766611125 /nfs/dbraw/zinc/61/11/25/766611125.db2.gz XCWVISNPJZHLON-OAHLLOKOSA-N 1 1 348.447 0.150 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 ZINC001046012682 766639441 /nfs/dbraw/zinc/63/94/41/766639441.db2.gz BECWBSALECUSAY-IRXDYDNUSA-N 1 1 336.480 0.112 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cnn(C)c3)CC2)C1 ZINC001046012521 766639789 /nfs/dbraw/zinc/63/97/89/766639789.db2.gz PQNDRXVGYGBXIV-KRWDZBQOSA-N 1 1 329.448 0.204 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001046013517 766642771 /nfs/dbraw/zinc/64/27/71/766642771.db2.gz ZOSNNOMMFYESQE-UONOGXRCSA-N 1 1 340.855 0.236 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001046013517 766642773 /nfs/dbraw/zinc/64/27/73/766642773.db2.gz ZOSNNOMMFYESQE-UONOGXRCSA-N 1 1 340.855 0.236 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nnn(C)c3C)CC2)C1 ZINC001046015502 766649519 /nfs/dbraw/zinc/64/95/19/766649519.db2.gz RHEAIMAZWRVBTI-MRXNPFEDSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3nnc[nH]3)CC2)C1 ZINC001046018016 766655545 /nfs/dbraw/zinc/65/55/45/766655545.db2.gz SGNBTYYRYIUMPS-INIZCTEOSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001046018016 766655549 /nfs/dbraw/zinc/65/55/49/766655549.db2.gz SGNBTYYRYIUMPS-INIZCTEOSA-N 1 1 346.479 0.922 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001046018016 766655554 /nfs/dbraw/zinc/65/55/54/766655554.db2.gz SGNBTYYRYIUMPS-INIZCTEOSA-N 1 1 346.479 0.922 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cc(C)n[nH]3)CC2)C1 ZINC001046020288 766662566 /nfs/dbraw/zinc/66/25/66/766662566.db2.gz TUIGGPQMAUDHSR-KRWDZBQOSA-N 1 1 329.448 0.502 20 30 ECEDMO COCC[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001046021888 766667212 /nfs/dbraw/zinc/66/72/12/766667212.db2.gz MLLZNBLMAGLSNO-INIZCTEOSA-N 1 1 331.420 0.365 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC001046024026 766674561 /nfs/dbraw/zinc/67/45/61/766674561.db2.gz CCMZXLDLGIBPRO-GOSISDBHSA-N 1 1 348.491 0.649 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000994750868 766686946 /nfs/dbraw/zinc/68/69/46/766686946.db2.gz DLHIAGWSSIXFBR-IRXDYDNUSA-N 1 1 346.475 0.285 20 30 ECEDMO CNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001089622086 766692260 /nfs/dbraw/zinc/69/22/60/766692260.db2.gz DSUNUXWHJSDPDL-CYBMUJFWSA-N 1 1 331.420 0.853 20 30 ECEDMO CNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001089622086 766692261 /nfs/dbraw/zinc/69/22/61/766692261.db2.gz DSUNUXWHJSDPDL-CYBMUJFWSA-N 1 1 331.420 0.853 20 30 ECEDMO O=C(C#CC1CC1)N1CCN([C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001046028999 766692552 /nfs/dbraw/zinc/69/25/52/766692552.db2.gz KKRUEBPQJNXOCG-ROUUACIJSA-N 1 1 331.460 0.655 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC001046030184 766697152 /nfs/dbraw/zinc/69/71/52/766697152.db2.gz LDMFXRSXGULDEG-AWEZNQCLSA-N 1 1 331.420 0.503 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccn[nH]2)C1 ZINC001016670895 766700140 /nfs/dbraw/zinc/70/01/40/766700140.db2.gz VWTWVADSGMJXPY-PIMMBPRGSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2ccn[nH]2)C1 ZINC001016670895 766700142 /nfs/dbraw/zinc/70/01/42/766700142.db2.gz VWTWVADSGMJXPY-PIMMBPRGSA-N 1 1 329.404 0.227 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2coc(C)n2)C1 ZINC001016670910 766700177 /nfs/dbraw/zinc/70/01/77/766700177.db2.gz WDRWPDBWACXGIE-XUJLQICISA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2coc(C)n2)C1 ZINC001016670910 766700180 /nfs/dbraw/zinc/70/01/80/766700180.db2.gz WDRWPDBWACXGIE-XUJLQICISA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cncn2C)C1 ZINC001016671140 766702070 /nfs/dbraw/zinc/70/20/70/766702070.db2.gz ZIRZLUQZTJKGRA-NRXISQOPSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)c2cncn2C)C1 ZINC001016671140 766702073 /nfs/dbraw/zinc/70/20/73/766702073.db2.gz ZIRZLUQZTJKGRA-NRXISQOPSA-N 1 1 343.431 0.237 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC000994754540 766707200 /nfs/dbraw/zinc/70/72/00/766707200.db2.gz MMFMSECXYLGUPH-HOTGVXAUSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC000994754540 766707209 /nfs/dbraw/zinc/70/72/09/766707209.db2.gz MMFMSECXYLGUPH-HOTGVXAUSA-N 1 1 333.432 0.226 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2cccn2)C1 ZINC000994753543 766711053 /nfs/dbraw/zinc/71/10/53/766711053.db2.gz IAYQETFMDWRMQH-ZBFHGGJFSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2cccn2)C1 ZINC000994753543 766711054 /nfs/dbraw/zinc/71/10/54/766711054.db2.gz IAYQETFMDWRMQH-ZBFHGGJFSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC000994753513 766711066 /nfs/dbraw/zinc/71/10/66/766711066.db2.gz HMOSCCKTSFCSBA-ZBFHGGJFSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC000994753513 766711071 /nfs/dbraw/zinc/71/10/71/766711071.db2.gz HMOSCCKTSFCSBA-ZBFHGGJFSA-N 1 1 343.431 0.259 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@H]12 ZINC000992497454 766713171 /nfs/dbraw/zinc/71/31/71/766713171.db2.gz JQPNFFSNRZWXAE-KCQAQPDRSA-N 1 1 327.450 0.367 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC001046034292 766714118 /nfs/dbraw/zinc/71/41/18/766714118.db2.gz RPPZETSJLAPLFE-QGZVFWFLSA-N 1 1 331.464 0.676 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnn4ccncc34)CC2)C1 ZINC001046035290 766719336 /nfs/dbraw/zinc/71/93/36/766719336.db2.gz IUGHKGZDKWSHQG-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cnc4n[nH]nc4c3)CC2)C1 ZINC001046036106 766723895 /nfs/dbraw/zinc/72/38/95/766723895.db2.gz AAVCJVQXIPAUKV-AWEZNQCLSA-N 1 1 341.419 0.371 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046036036 766724617 /nfs/dbraw/zinc/72/46/17/766724617.db2.gz ZDHPYZOCPQRVIG-MRXNPFEDSA-N 1 1 332.448 0.499 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC001046036181 766726208 /nfs/dbraw/zinc/72/62/08/766726208.db2.gz CBLBNPFAIKWCCH-LPHOPBHVSA-N 1 1 348.491 0.697 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046037093 766730918 /nfs/dbraw/zinc/73/09/18/766730918.db2.gz LVMCWAPLGPKJML-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)C(F)F)C1 ZINC000994756982 766731376 /nfs/dbraw/zinc/73/13/76/766731376.db2.gz ZVONMCFPCTYONE-LBPRGKRZSA-N 1 1 327.375 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)C(F)F)C1 ZINC000994756982 766731383 /nfs/dbraw/zinc/73/13/83/766731383.db2.gz ZVONMCFPCTYONE-LBPRGKRZSA-N 1 1 327.375 0.702 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3CC)CC2)C1 ZINC001046037289 766732458 /nfs/dbraw/zinc/73/24/58/766732458.db2.gz ONSJWRVPMPVUIB-MRXNPFEDSA-N 1 1 343.475 0.838 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046037547 766734306 /nfs/dbraw/zinc/73/43/06/766734306.db2.gz RVCYQZSTPYYMGT-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC001046039049 766740866 /nfs/dbraw/zinc/74/08/66/766740866.db2.gz MYBZCVKKRVXBMF-QGZVFWFLSA-N 1 1 342.443 0.241 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC001046039060 766740878 /nfs/dbraw/zinc/74/08/78/766740878.db2.gz NDONXSNDRXZJLS-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001099171102 766757838 /nfs/dbraw/zinc/75/78/38/766757838.db2.gz MQKXDMSAOKGQPT-HNNXBMFYSA-N 1 1 334.464 0.048 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]nc3CC)CC2)C1 ZINC001046042959 766759807 /nfs/dbraw/zinc/75/98/07/766759807.db2.gz QCUKFCWVSXSQPH-HNNXBMFYSA-N 1 1 329.448 0.828 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC001046044716 766767795 /nfs/dbraw/zinc/76/77/95/766767795.db2.gz PUJDCYFWJLZKLM-INIZCTEOSA-N 1 1 344.459 0.794 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc(CC)nn3C)CC2)C1 ZINC001046045448 766771385 /nfs/dbraw/zinc/77/13/85/766771385.db2.gz IQANGBQMOULIMB-QGZVFWFLSA-N 1 1 345.491 0.930 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(Cl)n(C)n3)CC2)C1 ZINC001046045544 766772273 /nfs/dbraw/zinc/77/22/73/766772273.db2.gz ZITBADDDJWFEAU-ZDUSSCGKSA-N 1 1 335.839 0.539 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccnc(OC)c2)C1 ZINC000994770971 766772354 /nfs/dbraw/zinc/77/23/54/766772354.db2.gz UNKDDMLEEQDZAO-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccnc(OC)c2)C1 ZINC000994770971 766772360 /nfs/dbraw/zinc/77/23/60/766772360.db2.gz UNKDDMLEEQDZAO-HNNXBMFYSA-N 1 1 342.399 0.128 20 30 ECEDMO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106132838 766775968 /nfs/dbraw/zinc/77/59/68/766775968.db2.gz ASTSJISMJWAZSN-XHDPSFHLSA-N 1 1 328.376 0.444 20 30 ECEDMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106132857 766776082 /nfs/dbraw/zinc/77/60/82/766776082.db2.gz BGAMFJSRGMXRSV-RISCZKNCSA-N 1 1 328.376 0.444 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C(N)=O)nc3)CCC[C@H]12 ZINC000992530115 766782462 /nfs/dbraw/zinc/78/24/62/766782462.db2.gz JGPZFMULKJFHRD-YJBOKZPZSA-N 1 1 326.400 0.931 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC001046050256 766785561 /nfs/dbraw/zinc/78/55/61/766785561.db2.gz INFYZDBKYHIDBU-HNNXBMFYSA-N 1 1 345.447 0.284 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 ZINC001046054674 766801743 /nfs/dbraw/zinc/80/17/43/766801743.db2.gz LXBGURWWTHNLBK-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)[nH]1 ZINC001053773122 766805006 /nfs/dbraw/zinc/80/50/06/766805006.db2.gz DKFKAQTUFSCCMM-JSGCOSHPSA-N 1 1 330.388 0.496 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4cccnc43)CC2)C1 ZINC001046055362 766806618 /nfs/dbraw/zinc/80/66/18/766806618.db2.gz WTNMIKNSKIOQLK-ROUUACIJSA-N 1 1 338.455 0.963 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC001046056299 766810194 /nfs/dbraw/zinc/81/01/94/766810194.db2.gz QCLPTZUHAPWWTJ-APWZRJJASA-N 1 1 346.475 0.145 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCN([C@H]3CC[N@H+](C[C@@H](C)O)C3)CC2)c1 ZINC001046062271 766834024 /nfs/dbraw/zinc/83/40/24/766834024.db2.gz TUHNWXKBCUQROU-QAPCUYQASA-N 1 1 342.443 0.276 20 30 ECEDMO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCCS2(=O)=O)CC1 ZINC001016745484 766835791 /nfs/dbraw/zinc/83/57/91/766835791.db2.gz OLVFLBZNPGEMRN-GJZGRUSLSA-N 1 1 338.473 0.948 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC001046063132 766837633 /nfs/dbraw/zinc/83/76/33/766837633.db2.gz YILJGWWWBCGMBO-INIZCTEOSA-N 1 1 342.443 0.241 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)C1 ZINC001046065608 766848084 /nfs/dbraw/zinc/84/80/84/766848084.db2.gz BLXVYUYGGWDHFI-KRWDZBQOSA-N 1 1 341.459 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC001046066753 766855815 /nfs/dbraw/zinc/85/58/15/766855815.db2.gz QCYCOPMXMFESAR-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nc(C)ncc3Cl)CC2)C1 ZINC001046068055 766861620 /nfs/dbraw/zinc/86/16/20/766861620.db2.gz BTCZDCASYSSASL-CQSZACIVSA-N 1 1 347.850 0.904 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncc(OC)n3)CC2)C1 ZINC001046068538 766862038 /nfs/dbraw/zinc/86/20/38/766862038.db2.gz NQCZFNMIEPZEMR-OAHLLOKOSA-N 1 1 345.447 0.893 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046070448 766872916 /nfs/dbraw/zinc/87/29/16/766872916.db2.gz VOLXGPTWKQIHNH-SJLPKXTDSA-N 1 1 343.475 0.830 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046070448 766872925 /nfs/dbraw/zinc/87/29/25/766872925.db2.gz VOLXGPTWKQIHNH-SJLPKXTDSA-N 1 1 343.475 0.830 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046070448 766872928 /nfs/dbraw/zinc/87/29/28/766872928.db2.gz VOLXGPTWKQIHNH-SJLPKXTDSA-N 1 1 343.475 0.830 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc4ncccn4n3)CC2)C1 ZINC001046072815 766884697 /nfs/dbraw/zinc/88/46/97/766884697.db2.gz NYRBEOUWSUYINS-OAHLLOKOSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(CC4CC4)nn3)CC2)C1 ZINC001046075109 766895036 /nfs/dbraw/zinc/89/50/36/766895036.db2.gz OURIGLOQEDHHOW-MRXNPFEDSA-N 1 1 342.447 0.153 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(OC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000994821980 766897770 /nfs/dbraw/zinc/89/77/70/766897770.db2.gz LUTMHNDFOMRHCG-KBPBESRZSA-N 1 1 348.447 0.316 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cc(C(N)=O)ccn3)CCC[C@H]12 ZINC000992567038 766901128 /nfs/dbraw/zinc/90/11/28/766901128.db2.gz CIWSMRLPJSZVOV-MAUKXSAKSA-N 1 1 326.400 0.931 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC001046076221 766902657 /nfs/dbraw/zinc/90/26/57/766902657.db2.gz KRQLNPDRZSEJMV-WBVHZDCISA-N 1 1 343.475 0.919 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4nccn4c3)CC2)C1 ZINC001046076557 766903840 /nfs/dbraw/zinc/90/38/40/766903840.db2.gz FQUIJQCUPSNJIN-QGZVFWFLSA-N 1 1 337.427 0.800 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC001046076507 766904281 /nfs/dbraw/zinc/90/42/81/766904281.db2.gz NNTMGVIRJVAOIV-GJZGRUSLSA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)CC2)C1 ZINC001046076507 766904282 /nfs/dbraw/zinc/90/42/82/766904282.db2.gz NNTMGVIRJVAOIV-GJZGRUSLSA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)CC2)C1 ZINC001046076507 766904283 /nfs/dbraw/zinc/90/42/83/766904283.db2.gz NNTMGVIRJVAOIV-GJZGRUSLSA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)CC2)C1 ZINC001046076507 766904285 /nfs/dbraw/zinc/90/42/85/766904285.db2.gz NNTMGVIRJVAOIV-GJZGRUSLSA-N 1 1 344.463 0.314 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)CC2)C1 ZINC001046076507 766904286 /nfs/dbraw/zinc/90/42/86/766904286.db2.gz NNTMGVIRJVAOIV-GJZGRUSLSA-N 1 1 344.463 0.314 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC001046077668 766909600 /nfs/dbraw/zinc/90/96/00/766909600.db2.gz PUKRHYJAAJTBOG-IAGOWNOFSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC001046077670 766909738 /nfs/dbraw/zinc/90/97/38/766909738.db2.gz PUKRHYJAAJTBOG-SJORKVTESA-N 1 1 346.475 0.097 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC001046078278 766910637 /nfs/dbraw/zinc/91/06/37/766910637.db2.gz WHLVHCBIKOJSRT-IRXDYDNUSA-N 1 1 346.475 0.097 20 30 ECEDMO CCC(CC)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001111526434 766913618 /nfs/dbraw/zinc/91/36/18/766913618.db2.gz SSEOWLSWGSTYHS-ZACQAIPSSA-N 1 1 349.475 0.910 20 30 ECEDMO CCC(CC)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001111526434 766913623 /nfs/dbraw/zinc/91/36/23/766913623.db2.gz SSEOWLSWGSTYHS-ZACQAIPSSA-N 1 1 349.475 0.910 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046080479 766916547 /nfs/dbraw/zinc/91/65/47/766916547.db2.gz IADQAVANDRXVKH-MSOLQXFVSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC001046080481 766916902 /nfs/dbraw/zinc/91/69/02/766916902.db2.gz IADQAVANDRXVKH-ROUUACIJSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC001046082098 766920653 /nfs/dbraw/zinc/92/06/53/766920653.db2.gz NFTBVARCSKIRGC-INIZCTEOSA-N 1 1 330.432 0.253 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 ZINC001046083262 766922924 /nfs/dbraw/zinc/92/29/24/766922924.db2.gz OKKVWJHLQOSJCE-HNNXBMFYSA-N 1 1 345.447 0.189 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3nccs3)CC2)C1 ZINC001046084268 766924167 /nfs/dbraw/zinc/92/41/67/766924167.db2.gz OOMKTLVNVSEMMI-OAHLLOKOSA-N 1 1 332.473 0.927 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)N3CCCC3=O)CC2)C1 ZINC001046085175 766926370 /nfs/dbraw/zinc/92/63/70/766926370.db2.gz DRODLZCTTVNYNY-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC001046090276 766932511 /nfs/dbraw/zinc/93/25/11/766932511.db2.gz RPDVKSPASFHRBD-INIZCTEOSA-N 1 1 344.463 0.462 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2noc(C)n2)C1 ZINC001031741210 766987835 /nfs/dbraw/zinc/98/78/35/766987835.db2.gz SGLIEFATJVEWLM-DOMZBBRYSA-N 1 1 331.420 0.585 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2noc(C)n2)C1 ZINC001031741210 766987842 /nfs/dbraw/zinc/98/78/42/766987842.db2.gz SGLIEFATJVEWLM-DOMZBBRYSA-N 1 1 331.420 0.585 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn(C)c(=O)c1)CO2 ZINC001053849795 767015078 /nfs/dbraw/zinc/01/50/78/767015078.db2.gz VBSYJTITYYLDMA-OAHLLOKOSA-N 1 1 331.416 0.925 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC3N=NC(=O)N3C1)CO2 ZINC001053851090 767019289 /nfs/dbraw/zinc/01/92/89/767019289.db2.gz KBZWMEKVERPWBS-OLZOCXBDSA-N 1 1 347.419 0.082 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ncoc3C)C2)C1=O ZINC001046177712 767024033 /nfs/dbraw/zinc/02/40/33/767024033.db2.gz LNOIOIACTSODOQ-DYVFJYSZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ncoc3C)C2)C1=O ZINC001046177712 767024045 /nfs/dbraw/zinc/02/40/45/767024045.db2.gz LNOIOIACTSODOQ-DYVFJYSZSA-N 1 1 332.404 0.964 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1COCCN1CC)CO2 ZINC001053854082 767028311 /nfs/dbraw/zinc/02/83/11/767028311.db2.gz RMXKADZFNGNKRK-CVEARBPZSA-N 1 1 337.464 0.633 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001046194512 767043951 /nfs/dbraw/zinc/04/39/51/767043951.db2.gz FZHKYNPHXWNIQD-YOEHRIQHSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001046194512 767043962 /nfs/dbraw/zinc/04/39/62/767043962.db2.gz FZHKYNPHXWNIQD-YOEHRIQHSA-N 1 1 331.420 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCC23CC3)C1 ZINC000994857199 767053173 /nfs/dbraw/zinc/05/31/73/767053173.db2.gz CWMZKDLHCQZLIU-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCC23CC3)C1 ZINC000994857199 767053181 /nfs/dbraw/zinc/05/31/81/767053181.db2.gz CWMZKDLHCQZLIU-CVEARBPZSA-N 1 1 329.444 0.991 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000994857805 767060509 /nfs/dbraw/zinc/06/05/09/767060509.db2.gz DFGAIXXMMSINLE-JQWIXIFHSA-N 1 1 328.380 0.098 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)c1 ZINC001083765508 767067898 /nfs/dbraw/zinc/06/78/98/767067898.db2.gz HTYDKEXNUJUSOA-BBWFWOEESA-N 1 1 343.427 0.653 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3n(n1)CCCO3)CO2 ZINC001053867986 767079485 /nfs/dbraw/zinc/07/94/85/767079485.db2.gz ZCLUSWZHDKYSGS-ZDUSSCGKSA-N 1 1 332.404 0.815 20 30 ECEDMO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001046225858 767096680 /nfs/dbraw/zinc/09/66/80/767096680.db2.gz GZWHZIHBCXBGGF-CXAGYDPISA-N 1 1 339.403 0.860 20 30 ECEDMO C#CCCN1CC2(C1)C[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)CO2 ZINC001053873167 767097924 /nfs/dbraw/zinc/09/79/24/767097924.db2.gz SURBYVGODLHNFF-OAHLLOKOSA-N 1 1 342.443 0.745 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cn(C)cn3)C2)C1=O ZINC001046240346 767104305 /nfs/dbraw/zinc/10/43/05/767104305.db2.gz ABBLBXJIECFJGU-WMLDXEAASA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cn(C)cn3)C2)C1=O ZINC001046240346 767104307 /nfs/dbraw/zinc/10/43/07/767104307.db2.gz ABBLBXJIECFJGU-WMLDXEAASA-N 1 1 331.420 0.401 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC000938755856 767106248 /nfs/dbraw/zinc/10/62/48/767106248.db2.gz ASZJTDLGMYKQDJ-OAGGEKHMSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC000938755856 767106253 /nfs/dbraw/zinc/10/62/53/767106253.db2.gz ASZJTDLGMYKQDJ-OAGGEKHMSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cccnn2)C1 ZINC000938756087 767106834 /nfs/dbraw/zinc/10/68/34/767106834.db2.gz HFYSWUNRFAIMLU-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cccnn2)C1 ZINC000938756087 767106836 /nfs/dbraw/zinc/10/68/36/767106836.db2.gz HFYSWUNRFAIMLU-HOCLYGCPSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC000938755967 767106854 /nfs/dbraw/zinc/10/68/54/767106854.db2.gz DEODEGFDLTYWGI-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC000938755967 767106856 /nfs/dbraw/zinc/10/68/56/767106856.db2.gz DEODEGFDLTYWGI-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cncnc2)C1 ZINC000938756091 767106900 /nfs/dbraw/zinc/10/69/00/767106900.db2.gz HJLSRQFYXPLYEC-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cncnc2)C1 ZINC000938756091 767106902 /nfs/dbraw/zinc/10/69/02/767106902.db2.gz HJLSRQFYXPLYEC-CVEARBPZSA-N 1 1 341.415 0.247 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)c(=O)cn1)CO2 ZINC001053875228 767107608 /nfs/dbraw/zinc/10/76/08/767107608.db2.gz VXDMXMYOEXMTQS-CYBMUJFWSA-N 1 1 332.404 0.320 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046248177 767107835 /nfs/dbraw/zinc/10/78/35/767107835.db2.gz MICFZSIUWJWOLN-HKUYNNGSSA-N 1 1 342.443 0.969 20 30 ECEDMO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N4CCC4)[C@H]3C2)[nH]1 ZINC001042016784 782604741 /nfs/dbraw/zinc/60/47/41/782604741.db2.gz UKRXWXGAIPSLOR-BBRMVZONSA-N 1 1 341.415 0.655 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC000938821537 767121086 /nfs/dbraw/zinc/12/10/86/767121086.db2.gz OSIMJKQCTYLDLX-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046288616 767129357 /nfs/dbraw/zinc/12/93/57/767129357.db2.gz PKKGCYPRDWXROB-PBHICJAKSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046288616 767129359 /nfs/dbraw/zinc/12/93/59/767129359.db2.gz PKKGCYPRDWXROB-PBHICJAKSA-N 1 1 346.362 0.886 20 30 ECEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001089726122 767132485 /nfs/dbraw/zinc/13/24/85/767132485.db2.gz NFVSLZOCTHFXGE-LLVKDONJSA-N 1 1 348.403 0.750 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001089730881 767133976 /nfs/dbraw/zinc/13/39/76/767133976.db2.gz GEDODTPXZQDFJB-LBPRGKRZSA-N 1 1 334.420 0.892 20 30 ECEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001089732522 767135955 /nfs/dbraw/zinc/13/59/55/767135955.db2.gz VMVHXBKUAOUVHK-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001089735943 767137449 /nfs/dbraw/zinc/13/74/49/767137449.db2.gz RKPVAOWHRCEQPL-CHWSQXEVSA-N 1 1 329.466 0.471 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001046309065 767139978 /nfs/dbraw/zinc/13/99/78/767139978.db2.gz KMFXMNMPWIZYNP-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001046309065 767139980 /nfs/dbraw/zinc/13/99/80/767139980.db2.gz KMFXMNMPWIZYNP-QAPCUYQASA-N 1 1 343.431 0.766 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046321649 767147313 /nfs/dbraw/zinc/14/73/13/767147313.db2.gz ROWBUQVLAJLPDF-SUMWQHHRSA-N 1 1 331.420 0.919 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCn2cncn2)C1 ZINC001046328125 767151472 /nfs/dbraw/zinc/15/14/72/767151472.db2.gz VRJQBOGNPKZYEL-HLLBOEOZSA-N 1 1 333.436 0.840 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046374545 767178764 /nfs/dbraw/zinc/17/87/64/767178764.db2.gz PWRONFWVOPRUFB-GOSISDBHSA-N 1 1 345.447 0.894 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2nnc[nH]2)C1 ZINC001089791907 767199299 /nfs/dbraw/zinc/19/92/99/767199299.db2.gz LJOKXWIZYSBYPR-VGWMRTNUSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2nc[nH]n2)C1 ZINC001089791907 767199301 /nfs/dbraw/zinc/19/93/01/767199301.db2.gz LJOKXWIZYSBYPR-VGWMRTNUSA-N 1 1 327.432 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCc2nc[nH]n2)C1 ZINC001089791907 767199303 /nfs/dbraw/zinc/19/93/03/767199303.db2.gz LJOKXWIZYSBYPR-VGWMRTNUSA-N 1 1 327.432 0.929 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@H](OC)C1 ZINC001212325424 767220099 /nfs/dbraw/zinc/22/00/99/767220099.db2.gz XEAMEEKXHKTYLE-DGCLKSJQSA-N 1 1 344.362 0.910 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnn(C)c1N ZINC001089798426 767223022 /nfs/dbraw/zinc/22/30/22/767223022.db2.gz SUVVHLZNQQCADJ-UKMLZYKCSA-N 1 1 327.432 0.808 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)o1 ZINC001089798840 767223766 /nfs/dbraw/zinc/22/37/66/767223766.db2.gz ZNTJFIPMNSBLRL-XGUBFFRZSA-N 1 1 329.400 0.784 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805129 767233170 /nfs/dbraw/zinc/23/31/70/767233170.db2.gz BDTHZDRFGGIAEM-YVSFHVDLSA-N 1 1 329.444 0.657 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1nnc(C)[nH]1 ZINC001089806399 767233950 /nfs/dbraw/zinc/23/39/50/767233950.db2.gz POVYDNWPSDVSPU-JONQDZQNSA-N 1 1 327.432 0.848 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1nnc(C)[nH]1 ZINC001089806675 767234224 /nfs/dbraw/zinc/23/42/24/767234224.db2.gz SHLQOLLQWQNJQS-FZKCQIBNSA-N 1 1 327.432 0.848 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001046524788 767278412 /nfs/dbraw/zinc/27/84/12/767278412.db2.gz DGIIELVFLUAPLH-UHFFFAOYSA-N 1 1 345.871 0.796 20 30 ECEDMO CN1C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)NC1=O ZINC001046542402 767292913 /nfs/dbraw/zinc/29/29/13/767292913.db2.gz IYDHMVDTNOJRCH-QAPCUYQASA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001046549851 767298913 /nfs/dbraw/zinc/29/89/13/767298913.db2.gz ADYLVIGHTOXTSP-KSSFIOAISA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3c(C)cnn3C)C2)C1=O ZINC001046549851 767298915 /nfs/dbraw/zinc/29/89/15/767298915.db2.gz ADYLVIGHTOXTSP-KSSFIOAISA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CO2 ZINC001053908564 767330853 /nfs/dbraw/zinc/33/08/53/767330853.db2.gz VWTYYSJHLPZADT-HUUCEWRRSA-N 1 1 330.432 0.899 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046585658 767335007 /nfs/dbraw/zinc/33/50/07/767335007.db2.gz HZHBECZHEMLUSK-IUODEOHRSA-N 1 1 333.417 0.382 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046585658 767335016 /nfs/dbraw/zinc/33/50/16/767335016.db2.gz HZHBECZHEMLUSK-IUODEOHRSA-N 1 1 333.417 0.382 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001016932982 767342243 /nfs/dbraw/zinc/34/22/43/767342243.db2.gz KDEBBFOKKIZUFK-NRXISQOPSA-N 1 1 343.431 0.155 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001016932982 767342252 /nfs/dbraw/zinc/34/22/52/767342252.db2.gz KDEBBFOKKIZUFK-NRXISQOPSA-N 1 1 343.431 0.155 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3conc3C)C2)C1=O ZINC001046590392 767343382 /nfs/dbraw/zinc/34/33/82/767343382.db2.gz JGZACEYMCAZJJH-WMLDXEAASA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3conc3C)C2)C1=O ZINC001046590392 767343389 /nfs/dbraw/zinc/34/33/89/767343389.db2.gz JGZACEYMCAZJJH-WMLDXEAASA-N 1 1 332.404 0.964 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)cn1 ZINC001089825346 767348077 /nfs/dbraw/zinc/34/80/77/767348077.db2.gz BZRWHMHCEHFIPQ-HWMZRRJGSA-N 1 1 340.427 0.586 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC001046605887 767356317 /nfs/dbraw/zinc/35/63/17/767356317.db2.gz YCQBNHZQKUJAOK-ACJLOTCBSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC001046605887 767356326 /nfs/dbraw/zinc/35/63/26/767356326.db2.gz YCQBNHZQKUJAOK-ACJLOTCBSA-N 1 1 328.416 0.734 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001106146463 767367409 /nfs/dbraw/zinc/36/74/09/767367409.db2.gz AAFHPFADIVELCE-ZIAGYGMSSA-N 1 1 332.408 0.112 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)[nH]1)CO2 ZINC001053927114 767384368 /nfs/dbraw/zinc/38/43/68/767384368.db2.gz SEVOMOFTEOQKGK-GFCCVEGCSA-N 1 1 332.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2conc2C)C1 ZINC001016956647 767386107 /nfs/dbraw/zinc/38/61/07/767386107.db2.gz JMEJRAGCGAXXIT-XUJLQICISA-N 1 1 344.415 0.800 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)c2conc2C)C1 ZINC001016956647 767386115 /nfs/dbraw/zinc/38/61/15/767386115.db2.gz JMEJRAGCGAXXIT-XUJLQICISA-N 1 1 344.415 0.800 20 30 ECEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001106153338 767387994 /nfs/dbraw/zinc/38/79/94/767387994.db2.gz YCSKKUCIMIITQG-MRVWCRGKSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)c[nH]c1CC(N)=O)CO2 ZINC001053934187 767395368 /nfs/dbraw/zinc/39/53/68/767395368.db2.gz HRXOFPVQZNPZCS-CYBMUJFWSA-N 1 1 346.431 0.500 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001046635192 767405489 /nfs/dbraw/zinc/40/54/89/767405489.db2.gz QQJJXOBDOFVVOQ-GLJUWKHASA-N 1 1 349.431 0.307 20 30 ECEDMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001106157705 767421836 /nfs/dbraw/zinc/42/18/36/767421836.db2.gz IYGPKTDOQAITML-KBPBESRZSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(C(N)=O)o1 ZINC001089836773 767432445 /nfs/dbraw/zinc/43/24/45/767432445.db2.gz UEBIJCUYHUXUBZ-CRWXNKLISA-N 1 1 327.384 0.794 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(C)ccc1=O ZINC001089835229 767433719 /nfs/dbraw/zinc/43/37/19/767433719.db2.gz IVGKENOKZXFNTL-HWMZRRJGSA-N 1 1 325.412 0.801 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc3ncccn3n1)CO2 ZINC001053959742 767456724 /nfs/dbraw/zinc/45/67/24/767456724.db2.gz HDRVAGBEUZCQOM-ZDUSSCGKSA-N 1 1 342.403 0.664 20 30 ECEDMO C#CCC1(C(=O)N2CC(O)(CNC(=O)C[N@@H+]3CC[C@H](C)C3)C2)CCC1 ZINC001046676235 767459868 /nfs/dbraw/zinc/45/98/68/767459868.db2.gz CSALUZPTNPSXLQ-HNNXBMFYSA-N 1 1 347.459 0.211 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001046676820 767460877 /nfs/dbraw/zinc/46/08/77/767460877.db2.gz MLFIGLKBHNGXQD-YOEHRIQHSA-N 1 1 337.464 0.620 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046692749 767494969 /nfs/dbraw/zinc/49/49/69/767494969.db2.gz YRGKVOCWCJMUOT-UONOGXRCSA-N 1 1 337.464 0.476 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)CO2 ZINC001053992848 767546770 /nfs/dbraw/zinc/54/67/70/767546770.db2.gz BMCHLXHYMKUVAD-CABCVRRESA-N 1 1 335.448 0.971 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046752715 767589600 /nfs/dbraw/zinc/58/96/00/767589600.db2.gz IYNCFWMZDSULQC-RCBQFDQVSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046752715 767589611 /nfs/dbraw/zinc/58/96/11/767589611.db2.gz IYNCFWMZDSULQC-RCBQFDQVSA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001046753312 767590695 /nfs/dbraw/zinc/59/06/95/767590695.db2.gz UNNSEBWKPWQONX-XNRPHZJLSA-N 1 1 329.404 0.012 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccncc3C#N)C2)C1 ZINC001046753312 767590701 /nfs/dbraw/zinc/59/07/01/767590701.db2.gz UNNSEBWKPWQONX-XNRPHZJLSA-N 1 1 329.404 0.012 20 30 ECEDMO C[N@@H+](C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@H]1CCCNC1=O ZINC001017110174 767604107 /nfs/dbraw/zinc/60/41/07/767604107.db2.gz ZBFSRZRGUHUZGF-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)c(=O)n1C)CO2 ZINC001054019536 767612658 /nfs/dbraw/zinc/61/26/58/767612658.db2.gz XOXSUEJTPNXLBT-ZDUSSCGKSA-N 1 1 334.420 0.263 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(OC)ncnc1OC)CO2 ZINC001054021801 767616816 /nfs/dbraw/zinc/61/68/16/767616816.db2.gz VCIUSLPGJMZOAX-LBPRGKRZSA-N 1 1 348.403 0.643 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001054050568 767649745 /nfs/dbraw/zinc/64/97/45/767649745.db2.gz GNGZEIDJBRZISK-MRXNPFEDSA-N 1 1 336.395 0.950 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001054050568 767649748 /nfs/dbraw/zinc/64/97/48/767649748.db2.gz GNGZEIDJBRZISK-MRXNPFEDSA-N 1 1 336.395 0.950 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1=O ZINC001017157339 767662297 /nfs/dbraw/zinc/66/22/97/767662297.db2.gz HNNAKMZUBNFMMH-ZFWWWQNUSA-N 1 1 346.435 0.376 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001060476527 767690927 /nfs/dbraw/zinc/69/09/27/767690927.db2.gz XSWVRXSZQDDWNX-DHWSYENGSA-N 1 1 325.416 0.702 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3cnon3)C2)nn1 ZINC001017223698 767737735 /nfs/dbraw/zinc/73/77/35/767737735.db2.gz MCKWQKQVDVOXGC-ZDUSSCGKSA-N 1 1 345.407 0.831 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H](C[N@H+](C)Cc3cnon3)C2)nn1 ZINC001017223698 767737738 /nfs/dbraw/zinc/73/77/38/767737738.db2.gz MCKWQKQVDVOXGC-ZDUSSCGKSA-N 1 1 345.407 0.831 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn3c(n1)COCC3)C2 ZINC001054153737 767748459 /nfs/dbraw/zinc/74/84/59/767748459.db2.gz YIIZTMZFUIGNHS-SFHVURJKSA-N 1 1 328.416 0.975 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ncn(C)c1=O)C2 ZINC001054156649 767752398 /nfs/dbraw/zinc/75/23/98/767752398.db2.gz VPOQAJJTHMWMJH-KRWDZBQOSA-N 1 1 333.436 0.472 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001054160275 767757544 /nfs/dbraw/zinc/75/75/44/767757544.db2.gz AVQSZBWSLXBLKV-SFHVURJKSA-N 1 1 344.415 0.287 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(C)c(=O)cn1)C2 ZINC001054167796 767765208 /nfs/dbraw/zinc/76/52/08/767765208.db2.gz KMGNRZNPEFHCES-GOSISDBHSA-N 1 1 328.416 0.732 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C2 ZINC001054211383 767808200 /nfs/dbraw/zinc/80/82/00/767808200.db2.gz OJAXBHZYEMARIV-HOCLYGCPSA-N 1 1 341.477 0.521 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1nc(C)ccc1=O)C2 ZINC001054230781 767840864 /nfs/dbraw/zinc/84/08/64/767840864.db2.gz CFRFMPFEZSKYEY-SFHVURJKSA-N 1 1 328.416 0.499 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 ZINC001054235723 767844277 /nfs/dbraw/zinc/84/42/77/767844277.db2.gz BIQZRXMYMUPTSY-KBXCAEBGSA-N 1 1 346.431 0.312 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001054235624 767845302 /nfs/dbraw/zinc/84/53/02/767845302.db2.gz YMEMHWGYDKHJAC-PKOBYXMFSA-N 1 1 347.459 0.572 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001054235916 767845384 /nfs/dbraw/zinc/84/53/84/767845384.db2.gz AAQZADAFXQVPDK-SFHVURJKSA-N 1 1 348.447 0.771 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nccnc1C(N)=O)C2 ZINC001054238047 767849096 /nfs/dbraw/zinc/84/90/96/767849096.db2.gz KJANCDWBSFTVCK-GOSISDBHSA-N 1 1 341.415 0.527 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 ZINC001054903880 768405459 /nfs/dbraw/zinc/40/54/59/768405459.db2.gz VDMFUOQYWWJUCC-RFGFWPKPSA-N 1 1 326.404 0.668 20 30 ECEDMO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C[C@H]1C ZINC001106621622 768519747 /nfs/dbraw/zinc/51/97/47/768519747.db2.gz VNYTYOVEAZJAAS-UNEWFSDZSA-N 1 1 345.447 0.164 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 ZINC001055033336 768538439 /nfs/dbraw/zinc/53/84/39/768538439.db2.gz VRKPEXZPLUPHKS-RDBSUJKOSA-N 1 1 337.387 0.779 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)C1 ZINC001055034164 768539730 /nfs/dbraw/zinc/53/97/30/768539730.db2.gz FDMGYIJMLYWSOC-MQYQWHSLSA-N 1 1 326.404 0.526 20 30 ECEDMO C[C@H](CCNc1ncccc1C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106643093 768546734 /nfs/dbraw/zinc/54/67/34/768546734.db2.gz XYSFLQZOQWJPDJ-UMVBOHGHSA-N 1 1 331.420 0.979 20 30 ECEDMO C[C@H](CCNc1ncccc1C#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106643093 768546738 /nfs/dbraw/zinc/54/67/38/768546738.db2.gz XYSFLQZOQWJPDJ-UMVBOHGHSA-N 1 1 331.420 0.979 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)[C@@H](O)C1 ZINC001083734008 768573742 /nfs/dbraw/zinc/57/37/42/768573742.db2.gz NSBJJNUWNZNTRO-MCIONIFRSA-N 1 1 329.391 0.148 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)[C@@H](O)C1 ZINC001083734008 768573746 /nfs/dbraw/zinc/57/37/46/768573746.db2.gz NSBJJNUWNZNTRO-MCIONIFRSA-N 1 1 329.391 0.148 20 30 ECEDMO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)C[C@H]1C ZINC001106687600 768600608 /nfs/dbraw/zinc/60/06/08/768600608.db2.gz WOXJIURUYZJPCV-ZIAGYGMSSA-N 1 1 345.447 0.580 20 30 ECEDMO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001055249857 768707993 /nfs/dbraw/zinc/70/79/93/768707993.db2.gz DKZWLRPQSVTZMZ-LVQVYYBASA-N 1 1 335.448 0.304 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C[C@@H]2C1 ZINC001055310713 768766425 /nfs/dbraw/zinc/76/64/25/768766425.db2.gz PEMJARRQLSJMBQ-KSZLIROESA-N 1 1 341.455 0.804 20 30 ECEDMO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C[C@@H]2C1 ZINC001055310713 768766431 /nfs/dbraw/zinc/76/64/31/768766431.db2.gz PEMJARRQLSJMBQ-KSZLIROESA-N 1 1 341.455 0.804 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001018169718 768844280 /nfs/dbraw/zinc/84/42/80/768844280.db2.gz MOZOUGDKFIRWCT-PHIMTYICSA-N 1 1 332.360 0.209 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001055413526 768872948 /nfs/dbraw/zinc/87/29/48/768872948.db2.gz YBLXZEQDGZPPBC-TWMKSMIVSA-N 1 1 349.475 0.836 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)COc3c(C)nn(C)c3C)C[C@H]21 ZINC001042063531 782702227 /nfs/dbraw/zinc/70/22/27/782702227.db2.gz YNGWEBRYLSXGOI-JKSUJKDBSA-N 1 1 330.432 0.972 20 30 ECEDMO C=CCCOCC(=O)NC1CC[NH+](CCNC(=O)C(F)F)CC1 ZINC001055485460 768913615 /nfs/dbraw/zinc/91/36/15/768913615.db2.gz BTZRRSCWNUYFAP-UHFFFAOYSA-N 1 1 333.379 0.541 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993390630 768937423 /nfs/dbraw/zinc/93/74/23/768937423.db2.gz FXGWRNXITVXMOA-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001018238464 768944289 /nfs/dbraw/zinc/94/42/89/768944289.db2.gz FMVJIFVMWPQMPH-BETUJISGSA-N 1 1 334.420 0.568 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC000993397104 768959736 /nfs/dbraw/zinc/95/97/36/768959736.db2.gz PJFDCECXHATDKX-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO C=CCOCC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)SC)CC1 ZINC001055528729 769013004 /nfs/dbraw/zinc/01/30/04/769013004.db2.gz IBSNGZYQAJSPOR-CYBMUJFWSA-N 1 1 343.493 0.637 20 30 ECEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2CC(OCC)C2)[C@H](OC)C1 ZINC001212211242 769040629 /nfs/dbraw/zinc/04/06/29/769040629.db2.gz NUIBNCWTURYMRR-QDIHITRGSA-N 1 1 326.437 0.820 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1C(C)=O ZINC001018290921 769044009 /nfs/dbraw/zinc/04/40/09/769044009.db2.gz BYSKOSKQCXMDLY-BBWFWOEESA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCCC(=O)NCC[NH+]1CCC(NC(=O)Cc2n[nH]c(C)n2)CC1 ZINC001055540887 769063711 /nfs/dbraw/zinc/06/37/11/769063711.db2.gz VONXYEUYOYFDRJ-UHFFFAOYSA-N 1 1 348.451 0.319 20 30 ECEDMO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2cncnc2)CC1 ZINC001055564201 769125790 /nfs/dbraw/zinc/12/57/90/769125790.db2.gz ZHTHXQQLQNEWDE-UHFFFAOYSA-N 1 1 341.415 0.200 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2cnco2)CC1 ZINC001055572600 769149871 /nfs/dbraw/zinc/14/98/71/769149871.db2.gz JFFISGVRUMWCCT-UHFFFAOYSA-N 1 1 332.404 0.644 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001055579735 769177860 /nfs/dbraw/zinc/17/78/60/769177860.db2.gz JNPOKVZLBOHDSE-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO C=CCN1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001018362272 769197271 /nfs/dbraw/zinc/19/72/71/769197271.db2.gz DZLKOISWYYGDFI-IRXDYDNUSA-N 1 1 348.491 0.649 20 30 ECEDMO C=CCN1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001018362268 769198313 /nfs/dbraw/zinc/19/83/13/769198313.db2.gz DZLKOISWYYGDFI-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cnon3)C2)CC1 ZINC001018371209 769227790 /nfs/dbraw/zinc/22/77/90/769227790.db2.gz DGAZEPWVEAGQAQ-CQSZACIVSA-N 1 1 347.419 0.642 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H]1C ZINC000993593897 769385144 /nfs/dbraw/zinc/38/51/44/769385144.db2.gz XWUIYKWNZQSEAZ-GJZGRUSLSA-N 1 1 346.431 0.496 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC001042096068 782755657 /nfs/dbraw/zinc/75/56/57/782755657.db2.gz ANSDKPDEZFBKSD-UONOGXRCSA-N 1 1 341.839 0.521 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC001042096068 782755665 /nfs/dbraw/zinc/75/56/65/782755665.db2.gz ANSDKPDEZFBKSD-UONOGXRCSA-N 1 1 341.839 0.521 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COC[C@H]3CCCO3)C2)nn1 ZINC001098795895 769583396 /nfs/dbraw/zinc/58/33/96/769583396.db2.gz HHWRDPDLQUNKNZ-HZPDHXFCSA-N 1 1 349.435 0.523 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001078358161 782766980 /nfs/dbraw/zinc/76/69/80/782766980.db2.gz KMWXWWREZJLDKR-CHWSQXEVSA-N 1 1 338.387 0.114 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2Cc2ccccc2)C1 ZINC001018619386 769654854 /nfs/dbraw/zinc/65/48/54/769654854.db2.gz WJCMKVSDALFMEI-HIFRSBDPSA-N 1 1 339.403 0.572 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000993815699 769673136 /nfs/dbraw/zinc/67/31/36/769673136.db2.gz IYVOXEIPDLNGRT-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H]1C ZINC000993858609 769707002 /nfs/dbraw/zinc/70/70/02/769707002.db2.gz RZDUMFNHOCOUTA-KGLIPLIRSA-N 1 1 330.432 0.957 20 30 ECEDMO CCCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078360316 782772565 /nfs/dbraw/zinc/77/25/65/782772565.db2.gz QBQZFARCWDHWQE-ZFWWWQNUSA-N 1 1 348.451 0.863 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001078360644 782774229 /nfs/dbraw/zinc/77/42/29/782774229.db2.gz YVPCMCGEFWZMSM-STQMWFEESA-N 1 1 349.439 0.295 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C1CC1 ZINC001018737915 769829504 /nfs/dbraw/zinc/82/95/04/769829504.db2.gz JRBIBYMZSBXYSW-PWSUYJOCSA-N 1 1 340.391 0.773 20 30 ECEDMO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001055824659 769863334 /nfs/dbraw/zinc/86/33/34/769863334.db2.gz YIIWAKYLFJSDAK-QAPCUYQASA-N 1 1 337.464 0.764 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)nc1 ZINC000993956000 769886843 /nfs/dbraw/zinc/88/68/43/769886843.db2.gz WLYNUIZJSNJWRT-INIZCTEOSA-N 1 1 349.394 0.778 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001042115800 782796343 /nfs/dbraw/zinc/79/63/43/782796343.db2.gz BZDFWCWYVDTGTA-HOCLYGCPSA-N 1 1 328.416 0.832 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]21 ZINC001042116181 782797832 /nfs/dbraw/zinc/79/78/32/782797832.db2.gz IMYLMMNCCZQZPX-NVXWUHKLSA-N 1 1 340.427 0.669 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 ZINC001042120354 782804259 /nfs/dbraw/zinc/80/42/59/782804259.db2.gz SKEUKIPWLBYMMD-HOTGVXAUSA-N 1 1 334.464 0.259 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 ZINC001042121947 782806675 /nfs/dbraw/zinc/80/66/75/782806675.db2.gz KLBATYWVMLYZGJ-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001018863505 770130398 /nfs/dbraw/zinc/13/03/98/770130398.db2.gz UPYHQIFHQXXASH-IMJJTQAJSA-N 1 1 333.436 0.970 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCCO[C@H](C[NH2+]Cc3nncs3)C2)[nH]1 ZINC001078382800 782816484 /nfs/dbraw/zinc/81/64/84/782816484.db2.gz OIPXBUSZVGNUNS-GFCCVEGCSA-N 1 1 346.416 0.759 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001018899315 770236181 /nfs/dbraw/zinc/23/61/81/770236181.db2.gz PJBFIFXADULVLF-CRAIPNDOSA-N 1 1 349.475 0.980 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001018899315 770236187 /nfs/dbraw/zinc/23/61/87/770236187.db2.gz PJBFIFXADULVLF-CRAIPNDOSA-N 1 1 349.475 0.980 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C ZINC000994173323 770255672 /nfs/dbraw/zinc/25/56/72/770255672.db2.gz FLZRZSFSTQNDFE-HUUCEWRRSA-N 1 1 345.447 0.374 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000994200333 770291515 /nfs/dbraw/zinc/29/15/15/770291515.db2.gz KIBBCEABNCQMPT-UKRRQHHQSA-N 1 1 330.432 0.812 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)no1 ZINC001055944950 770310302 /nfs/dbraw/zinc/31/03/02/770310302.db2.gz BJSUWHSOXXOOBE-UHFFFAOYSA-N 1 1 341.375 0.360 20 30 ECEDMO C=C(C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055953622 770347815 /nfs/dbraw/zinc/34/78/15/770347815.db2.gz GYGHIZKWTHEJFS-CRAIPNDOSA-N 1 1 337.464 0.764 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001055981023 770434681 /nfs/dbraw/zinc/43/46/81/770434681.db2.gz VKDHAQYIOVJEIA-SFHVURJKSA-N 1 1 337.464 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2csnn2)C1 ZINC001018986290 770486421 /nfs/dbraw/zinc/48/64/21/770486421.db2.gz XNTBCCHDYAEUHB-YDHLFZDLSA-N 1 1 333.461 0.887 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2csnn2)C1 ZINC001018986290 770486428 /nfs/dbraw/zinc/48/64/28/770486428.db2.gz XNTBCCHDYAEUHB-YDHLFZDLSA-N 1 1 333.461 0.887 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2nnc(CC)o2)C1 ZINC001018986346 770487026 /nfs/dbraw/zinc/48/70/26/770487026.db2.gz ZJUFQDJCSVGUPZ-ILXRZTDVSA-N 1 1 345.447 0.981 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2nnc(CC)o2)C1 ZINC001018986346 770487028 /nfs/dbraw/zinc/48/70/28/770487028.db2.gz ZJUFQDJCSVGUPZ-ILXRZTDVSA-N 1 1 345.447 0.981 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001042141560 782842823 /nfs/dbraw/zinc/84/28/23/782842823.db2.gz GTGVKOFBPVUGRO-CABCVRRESA-N 1 1 331.416 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019011685 770563866 /nfs/dbraw/zinc/56/38/66/770563866.db2.gz UBWHCWHEQNYNLN-KRWDZBQOSA-N 1 1 339.439 0.558 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019011685 770563871 /nfs/dbraw/zinc/56/38/71/770563871.db2.gz UBWHCWHEQNYNLN-KRWDZBQOSA-N 1 1 339.439 0.558 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC000994335237 770633584 /nfs/dbraw/zinc/63/35/84/770633584.db2.gz GUWQYBFELWPIQZ-STQMWFEESA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@@H]1C ZINC000994335268 770634610 /nfs/dbraw/zinc/63/46/10/770634610.db2.gz GXIMKTRAFFKENS-KBPBESRZSA-N 1 1 326.404 0.957 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@@H]1C ZINC000994335268 770634614 /nfs/dbraw/zinc/63/46/14/770634614.db2.gz GXIMKTRAFFKENS-KBPBESRZSA-N 1 1 326.404 0.957 20 30 ECEDMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC(C)(C)C1 ZINC001089365002 770667702 /nfs/dbraw/zinc/66/77/02/770667702.db2.gz JPXWZXPKIDUOBN-ZDUSSCGKSA-N 1 1 331.420 0.853 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001056060805 770710595 /nfs/dbraw/zinc/71/05/95/770710595.db2.gz PCNAMVCPISHXJD-HNNXBMFYSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCOC1)C2 ZINC001019143102 770914869 /nfs/dbraw/zinc/91/48/69/770914869.db2.gz HOMGGLIKEQMPGK-HOTGVXAUSA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCOC1)C2 ZINC001019143102 770914876 /nfs/dbraw/zinc/91/48/76/770914876.db2.gz HOMGGLIKEQMPGK-HOTGVXAUSA-N 1 1 345.443 0.181 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)C#N)C2 ZINC001019143724 770916203 /nfs/dbraw/zinc/91/62/03/770916203.db2.gz SRQQYELLZHPSDY-CABCVRRESA-N 1 1 328.416 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)C#N)C2 ZINC001019143724 770916210 /nfs/dbraw/zinc/91/62/10/770916210.db2.gz SRQQYELLZHPSDY-CABCVRRESA-N 1 1 328.416 0.305 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C(C)(C)F)C2 ZINC001019143564 770916428 /nfs/dbraw/zinc/91/64/28/770916428.db2.gz PJJAADGGJFWIKH-AWEZNQCLSA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C(C)(C)F)C2 ZINC001019143564 770916430 /nfs/dbraw/zinc/91/64/30/770916430.db2.gz PJJAADGGJFWIKH-AWEZNQCLSA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](F)CC)C2 ZINC001019144263 770917569 /nfs/dbraw/zinc/91/75/69/770917569.db2.gz GVQXXVRZLVECAL-CABCVRRESA-N 1 1 335.423 0.893 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](F)CC)C2 ZINC001019144263 770917576 /nfs/dbraw/zinc/91/75/76/770917576.db2.gz GVQXXVRZLVECAL-CABCVRRESA-N 1 1 335.423 0.893 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001083754787 770929548 /nfs/dbraw/zinc/92/95/48/770929548.db2.gz TZOQYYHMDOPRJF-OIISXLGYSA-N 1 1 349.475 0.810 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 ZINC001042163739 782879674 /nfs/dbraw/zinc/87/96/74/782879674.db2.gz ZBBSNZYNETXRQH-HZPDHXFCSA-N 1 1 347.463 0.861 20 30 ECEDMO C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168580 770983036 /nfs/dbraw/zinc/98/30/36/770983036.db2.gz KRNGCEMIOBJCCJ-WJEHIRDRSA-N 1 1 325.840 0.793 20 30 ECEDMO C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019168580 770983041 /nfs/dbraw/zinc/98/30/41/770983041.db2.gz KRNGCEMIOBJCCJ-WJEHIRDRSA-N 1 1 325.840 0.793 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)C1 ZINC001056253619 771045571 /nfs/dbraw/zinc/04/55/71/771045571.db2.gz MCTWEZJKIRHAMS-CVGURMSBSA-N 1 1 326.404 0.241 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001056253605 771045610 /nfs/dbraw/zinc/04/56/10/771045610.db2.gz LYGJBQXILJTOSS-MKVSYHDVSA-N 1 1 325.416 0.846 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)CC(C)(C)C1 ZINC001089425871 771131199 /nfs/dbraw/zinc/13/11/99/771131199.db2.gz DVKQEQOMYWUBQO-AWEZNQCLSA-N 1 1 333.436 0.212 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)C[C@H]21 ZINC001042179443 782898699 /nfs/dbraw/zinc/89/86/99/782898699.db2.gz MBWHNLFYCDUWHT-JKSUJKDBSA-N 1 1 342.443 0.957 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)n2C)C1 ZINC001019405378 771259026 /nfs/dbraw/zinc/25/90/26/771259026.db2.gz DXBNKTNXYNOLKI-MJBXVCDLSA-N 1 1 333.436 0.659 20 30 ECEDMO CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C#CC(C)C ZINC001212240869 771351243 /nfs/dbraw/zinc/35/12/43/771351243.db2.gz FNNPDOJCNLKVHY-JHJVBQTASA-N 1 1 336.354 0.775 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C#CC(C)C ZINC001212240869 771351247 /nfs/dbraw/zinc/35/12/47/771351247.db2.gz FNNPDOJCNLKVHY-JHJVBQTASA-N 1 1 336.354 0.775 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3oc(C)nc3C)C2)C1=O ZINC001031595311 771366121 /nfs/dbraw/zinc/36/61/21/771366121.db2.gz UNZAEWFNOCECDP-AWEZNQCLSA-N 1 1 332.404 0.740 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCCO1 ZINC001089548249 771450372 /nfs/dbraw/zinc/45/03/72/771450372.db2.gz KLYRWLLCQMQPCD-HNNXBMFYSA-N 1 1 346.435 0.402 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC(C)(C)C1 ZINC001089551517 771464278 /nfs/dbraw/zinc/46/42/78/771464278.db2.gz HTJQLJYRRCYEOB-CQSZACIVSA-N 1 1 335.452 0.683 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089554527 771465658 /nfs/dbraw/zinc/46/56/58/771465658.db2.gz WIJIKHVNTZQKLH-GFCCVEGCSA-N 1 1 334.420 0.892 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001089554517 771465891 /nfs/dbraw/zinc/46/58/91/771465891.db2.gz WGDCUIUNLHTBCI-LBPRGKRZSA-N 1 1 332.404 0.340 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)CC(C)(C)C1 ZINC001089553689 771468881 /nfs/dbraw/zinc/46/88/81/771468881.db2.gz YSNGYNVEJGIJHJ-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001056653179 771474305 /nfs/dbraw/zinc/47/43/05/771474305.db2.gz QCSLZKIRHMMNOI-MKSNKDDYSA-N 1 1 349.475 0.857 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC(C)(C)C1 ZINC001089561187 771494088 /nfs/dbraw/zinc/49/40/88/771494088.db2.gz NVJGHDMKZTZAGX-QWHCGFSZSA-N 1 1 329.466 0.471 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001031622912 771502712 /nfs/dbraw/zinc/50/27/12/771502712.db2.gz NCZDLLHUIWKQNE-OAHLLOKOSA-N 1 1 327.388 0.335 20 30 ECEDMO CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)cn1 ZINC001212245989 771534269 /nfs/dbraw/zinc/53/42/69/771534269.db2.gz IXKJFVFOCDGYHH-IAGOWNOFSA-N 1 1 330.432 0.674 20 30 ECEDMO CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)cn1 ZINC001212245989 771534273 /nfs/dbraw/zinc/53/42/73/771534273.db2.gz IXKJFVFOCDGYHH-IAGOWNOFSA-N 1 1 330.432 0.674 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(C)sn3)C2)C1=O ZINC001031639004 771561991 /nfs/dbraw/zinc/56/19/91/771561991.db2.gz PWWKQJOWIQBUDI-CQSZACIVSA-N 1 1 334.445 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccccc1 ZINC001056828880 771697161 /nfs/dbraw/zinc/69/71/61/771697161.db2.gz XFNBGJFSKDUWGM-KRWDZBQOSA-N 1 1 343.427 0.335 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccccc1 ZINC001056828880 771697165 /nfs/dbraw/zinc/69/71/65/771697165.db2.gz XFNBGJFSKDUWGM-KRWDZBQOSA-N 1 1 343.427 0.335 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)cn1 ZINC001019675676 771703646 /nfs/dbraw/zinc/70/36/46/771703646.db2.gz YAXZQYIJFNHBHP-AWEZNQCLSA-N 1 1 337.387 0.389 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 ZINC001056926218 771814664 /nfs/dbraw/zinc/81/46/64/771814664.db2.gz AIJQJYWAWRJNLV-CQSZACIVSA-N 1 1 325.376 0.591 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@@H]21 ZINC001042241710 782973894 /nfs/dbraw/zinc/97/38/94/782973894.db2.gz CHEKVGMMGWFLKL-HOCLYGCPSA-N 1 1 342.443 0.911 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2ncc(F)cn2)C1 ZINC001057060446 772014438 /nfs/dbraw/zinc/01/44/38/772014438.db2.gz KVTTXXGDCOEJBY-GJZGRUSLSA-N 1 1 331.395 0.750 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2ncc(F)cn2)C1 ZINC001057060446 772014444 /nfs/dbraw/zinc/01/44/44/772014444.db2.gz KVTTXXGDCOEJBY-GJZGRUSLSA-N 1 1 331.395 0.750 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCCN(c2nc(C)cc(C#N)n2)CC1 ZINC001057142095 772155569 /nfs/dbraw/zinc/15/55/69/772155569.db2.gz NLJSSUMZZSEJHM-UHFFFAOYSA-N 1 1 339.403 0.901 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057146542 772164723 /nfs/dbraw/zinc/16/47/23/772164723.db2.gz ABOCIZVSYOYVCC-OAHLLOKOSA-N 1 1 344.419 0.108 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3cnc(C#N)cn3)CC2)C1 ZINC001057146542 772164726 /nfs/dbraw/zinc/16/47/26/772164726.db2.gz ABOCIZVSYOYVCC-OAHLLOKOSA-N 1 1 344.419 0.108 20 30 ECEDMO Cc1cc(C#N)nc(N2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001057234942 772319133 /nfs/dbraw/zinc/31/91/33/772319133.db2.gz WIBHPBNXSKRDTR-CJNGLKHVSA-N 1 1 342.447 0.893 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(c3ccnc(C#N)n3)CC2)O1 ZINC001057254924 772350986 /nfs/dbraw/zinc/35/09/86/772350986.db2.gz LLHHIBQUORISJV-ZIAGYGMSSA-N 1 1 344.419 0.106 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(c3ccnc(C#N)n3)CC2)O1 ZINC001057254924 772350989 /nfs/dbraw/zinc/35/09/89/772350989.db2.gz LLHHIBQUORISJV-ZIAGYGMSSA-N 1 1 344.419 0.106 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(c3cnc(C#N)cn3)CC2)O1 ZINC001057255229 772351776 /nfs/dbraw/zinc/35/17/76/772351776.db2.gz YOTQXQWJXXSVSZ-UKRRQHHQSA-N 1 1 344.419 0.106 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(c3cnc(C#N)cn3)CC2)O1 ZINC001057255229 772351780 /nfs/dbraw/zinc/35/17/80/772351780.db2.gz YOTQXQWJXXSVSZ-UKRRQHHQSA-N 1 1 344.419 0.106 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ncccc3C#N)CC2)C1 ZINC001057303487 772433527 /nfs/dbraw/zinc/43/35/27/772433527.db2.gz YSGHULSYSUGBNS-OAHLLOKOSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ncccc3C#N)CC2)C1 ZINC001057303487 772433529 /nfs/dbraw/zinc/43/35/29/772433529.db2.gz YSGHULSYSUGBNS-OAHLLOKOSA-N 1 1 329.404 0.687 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(Nc3ccnc(C#N)n3)CC2)C1 ZINC001057425529 772600183 /nfs/dbraw/zinc/60/01/83/772600183.db2.gz HRFQMWVWJIOMFP-CYBMUJFWSA-N 1 1 328.420 0.515 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC(CNc3ccc(C#N)nn3)CC2)C1 ZINC001057502050 772691136 /nfs/dbraw/zinc/69/11/36/772691136.db2.gz ZQWFSYQYZYJITB-AWEZNQCLSA-N 1 1 328.420 0.950 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057536063 772731209 /nfs/dbraw/zinc/73/12/09/772731209.db2.gz KHSADVLWHYFHBU-INIZCTEOSA-N 1 1 335.448 0.210 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540007 772735282 /nfs/dbraw/zinc/73/52/82/772735282.db2.gz CQCAPDTZVFASPA-HNNXBMFYSA-N 1 1 337.464 0.457 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001057600447 772797486 /nfs/dbraw/zinc/79/74/86/772797486.db2.gz APAMKAOWSSQQGE-ZBFHGGJFSA-N 1 1 329.404 0.109 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ccncc3C#N)C2)C1 ZINC001057600447 772797489 /nfs/dbraw/zinc/79/74/89/772797489.db2.gz APAMKAOWSSQQGE-ZBFHGGJFSA-N 1 1 329.404 0.109 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057635740 772842597 /nfs/dbraw/zinc/84/25/97/772842597.db2.gz IIERMWKLRWQEBQ-HUUCEWRRSA-N 1 1 325.453 0.478 20 30 ECEDMO C=CCC(CC=C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057636636 772844615 /nfs/dbraw/zinc/84/46/15/772844615.db2.gz VSUBOEBMUQLOCA-MRXNPFEDSA-N 1 1 337.464 0.644 20 30 ECEDMO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739253 772955977 /nfs/dbraw/zinc/95/59/77/772955977.db2.gz RVYVBVGFOHKIPS-HUUCEWRRSA-N 1 1 339.480 0.866 20 30 ECEDMO C#CCC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001057821590 773031450 /nfs/dbraw/zinc/03/14/50/773031450.db2.gz LJDAJRPVPWTTIY-OAHLLOKOSA-N 1 1 335.448 0.069 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057845382 773063693 /nfs/dbraw/zinc/06/36/93/773063693.db2.gz BENNYCJYJQVVLK-MRXNPFEDSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001057845382 773063695 /nfs/dbraw/zinc/06/36/95/773063695.db2.gz BENNYCJYJQVVLK-MRXNPFEDSA-N 1 1 329.404 0.369 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)C[N@@H+](C)C(C)C ZINC001057864155 773091180 /nfs/dbraw/zinc/09/11/80/773091180.db2.gz DSZVLYVBPPZKEF-OAHLLOKOSA-N 1 1 327.469 0.866 20 30 ECEDMO C=CCn1cccc1C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001057902297 773161486 /nfs/dbraw/zinc/16/14/86/773161486.db2.gz GKWSERDJQFYOLA-HNNXBMFYSA-N 1 1 348.447 0.319 20 30 ECEDMO C[N@@H+](CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C)C1CCC1 ZINC001057903441 773164131 /nfs/dbraw/zinc/16/41/31/773164131.db2.gz JXEBFMYKESJHPF-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C)CC(=C)C1 ZINC001057962042 773293657 /nfs/dbraw/zinc/29/36/57/773293657.db2.gz FBXWWRIXQMNZQK-INIZCTEOSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C)CC(=C)C1 ZINC001057962042 773293659 /nfs/dbraw/zinc/29/36/59/773293659.db2.gz FBXWWRIXQMNZQK-INIZCTEOSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@]1(C)C=CCC1 ZINC001057962466 773295095 /nfs/dbraw/zinc/29/50/95/773295095.db2.gz XOJMBCCBVMTJAX-LPHOPBHVSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@]1(C)C=CCC1 ZINC001057962466 773295100 /nfs/dbraw/zinc/29/51/00/773295100.db2.gz XOJMBCCBVMTJAX-LPHOPBHVSA-N 1 1 347.459 0.377 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001058039267 773405520 /nfs/dbraw/zinc/40/55/20/773405520.db2.gz UUYIIRXIAOYRMZ-MRXNPFEDSA-N 1 1 349.475 0.601 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001058039389 773406415 /nfs/dbraw/zinc/40/64/15/773406415.db2.gz YPQHNSMMVUXMSD-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001058040065 773407507 /nfs/dbraw/zinc/40/75/07/773407507.db2.gz DSRYHZROVIZGDS-MRXNPFEDSA-N 1 1 337.464 0.601 20 30 ECEDMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058056336 773445707 /nfs/dbraw/zinc/44/57/07/773445707.db2.gz QWNAQARTGPQIRW-CYBMUJFWSA-N 1 1 328.420 0.727 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058087083 773508584 /nfs/dbraw/zinc/50/85/84/773508584.db2.gz CWOCWGAKDYCYNJ-CZUORRHYSA-N 1 1 342.447 0.973 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058134491 773604557 /nfs/dbraw/zinc/60/45/57/773604557.db2.gz GMNOZRFWWIMXKS-GDBMZVCRSA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccncc3C#N)C2)C1 ZINC001058134491 773604558 /nfs/dbraw/zinc/60/45/58/773604558.db2.gz GMNOZRFWWIMXKS-GDBMZVCRSA-N 1 1 329.404 0.369 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058257373 773857630 /nfs/dbraw/zinc/85/76/30/773857630.db2.gz VAXNSVHZFFWIDL-HNNXBMFYSA-N 1 1 327.469 0.868 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001058258410 773860518 /nfs/dbraw/zinc/86/05/18/773860518.db2.gz VHJKAFBZSXXBFJ-UMVBOHGHSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2F)C1 ZINC001058264431 773876571 /nfs/dbraw/zinc/87/65/71/773876571.db2.gz ZINPJFKHSBZQPM-KBPBESRZSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2F)C1 ZINC001058264431 773876573 /nfs/dbraw/zinc/87/65/73/773876573.db2.gz ZINPJFKHSBZQPM-KBPBESRZSA-N 1 1 331.395 0.798 20 30 ECEDMO C#CCCCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001058307275 773945234 /nfs/dbraw/zinc/94/52/34/773945234.db2.gz DOBXWGBKFUWNGT-INIZCTEOSA-N 1 1 337.464 0.601 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ncc(C#N)cc2F)C1 ZINC001058372183 774052885 /nfs/dbraw/zinc/05/28/85/774052885.db2.gz TUSVVZUKUNWEPA-ZDUSSCGKSA-N 1 1 328.351 0.992 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(c4ncccc4C#N)C[C@H]32)C1 ZINC001040636591 783149074 /nfs/dbraw/zinc/14/90/74/783149074.db2.gz LZPUMMGNEPBHRV-ARFHVFGLSA-N 1 1 325.416 0.942 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C/C=C(\C)C=C ZINC001058418596 774144810 /nfs/dbraw/zinc/14/48/10/774144810.db2.gz MYXWKMBMVSRGSX-BDBSJLECSA-N 1 1 347.459 0.544 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C/C=C(\C)C=C ZINC001058418596 774144814 /nfs/dbraw/zinc/14/48/14/774144814.db2.gz MYXWKMBMVSRGSX-BDBSJLECSA-N 1 1 347.459 0.544 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001058437395 774178404 /nfs/dbraw/zinc/17/84/04/774178404.db2.gz CJKLBCBNBZMUCV-ZFWWWQNUSA-N 1 1 336.436 0.587 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)C1 ZINC001058521557 774354514 /nfs/dbraw/zinc/35/45/14/774354514.db2.gz OPEZPQPWDLMUQF-UKRRQHHQSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)C1 ZINC001058521557 774354520 /nfs/dbraw/zinc/35/45/20/774354520.db2.gz OPEZPQPWDLMUQF-UKRRQHHQSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(Cl)c(=O)[nH]n2)C1 ZINC001058591184 774493486 /nfs/dbraw/zinc/49/34/86/774493486.db2.gz YKDIXGOASJQPKF-YPMHNXCESA-N 1 1 349.822 0.628 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(Cl)c(=O)[nH]n2)C1 ZINC001058591184 774493492 /nfs/dbraw/zinc/49/34/92/774493492.db2.gz YKDIXGOASJQPKF-YPMHNXCESA-N 1 1 349.822 0.628 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C#CC3CC3)C2)CC[N@H+]1C ZINC001040652283 783185259 /nfs/dbraw/zinc/18/52/59/783185259.db2.gz FVFLWKXMZBOVRZ-QOKNQOGYSA-N 1 1 347.459 0.210 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001045069122 774928888 /nfs/dbraw/zinc/92/88/88/774928888.db2.gz PEVBCGRKCQLUER-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1=O ZINC001043870371 775160707 /nfs/dbraw/zinc/16/07/07/775160707.db2.gz SCAAOYNOODKAGR-HOCLYGCPSA-N 1 1 334.464 0.400 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)c1 ZINC001070022323 790354145 /nfs/dbraw/zinc/35/41/45/790354145.db2.gz JAPVLULULZLEBE-CVEARBPZSA-N 1 1 342.378 0.669 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024422 790362547 /nfs/dbraw/zinc/36/25/47/790362547.db2.gz OUHLFWBTHDPXDA-CVEARBPZSA-N 1 1 344.463 0.375 20 30 ECEDMO C=CCN1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024508 790363235 /nfs/dbraw/zinc/36/32/35/790363235.db2.gz SRVXBTIEXBGPTN-CABCVRRESA-N 1 1 332.452 0.538 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044007947 775499995 /nfs/dbraw/zinc/49/99/95/775499995.db2.gz ZZHGYTRGDRGNQC-OAHLLOKOSA-N 1 1 335.448 0.211 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]2O)C1 ZINC001044062474 775620136 /nfs/dbraw/zinc/62/01/36/775620136.db2.gz DRFPTTOMYVQWFG-MJEQTWJJSA-N 1 1 346.406 0.705 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001045458581 775641779 /nfs/dbraw/zinc/64/17/79/775641779.db2.gz HAEBHGKWUZQHBT-LSDHHAIUSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001045469691 775659014 /nfs/dbraw/zinc/65/90/14/775659014.db2.gz FENIPPHOGWDFCO-GJZGRUSLSA-N 1 1 337.464 0.763 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O ZINC001044191436 775888640 /nfs/dbraw/zinc/88/86/40/775888640.db2.gz MELJZLWTFCQPET-OIISXLGYSA-N 1 1 343.431 0.492 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CCN(CC#N)CC2 ZINC001045672468 776012087 /nfs/dbraw/zinc/01/20/87/776012087.db2.gz DJJUKEHUIGZMJG-SJORKVTESA-N 1 1 344.459 0.595 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CCN(CC#N)CC2 ZINC001045672468 776012094 /nfs/dbraw/zinc/01/20/94/776012094.db2.gz DJJUKEHUIGZMJG-SJORKVTESA-N 1 1 344.459 0.595 20 30 ECEDMO C=C(C)CCC(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001044291567 776070521 /nfs/dbraw/zinc/07/05/21/776070521.db2.gz UYETXPVTXRPHEO-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C=CCN1CC[C@H](N2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001044296157 776083643 /nfs/dbraw/zinc/08/36/43/776083643.db2.gz SZRYVBUPVAVCBV-HNNXBMFYSA-N 1 1 331.420 0.121 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070041064 790423391 /nfs/dbraw/zinc/42/33/91/790423391.db2.gz SFFWCUBXRYWAJR-CVEARBPZSA-N 1 1 326.404 0.902 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001044409967 776284475 /nfs/dbraw/zinc/28/44/75/776284475.db2.gz ONUYNWTXAZONEP-UHFFFAOYSA-N 1 1 334.420 0.483 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3=CCOCC3)C2)C1=O ZINC001079612213 776524866 /nfs/dbraw/zinc/52/48/66/776524866.db2.gz DMEDCOQPDHHXFX-FVQBIDKESA-N 1 1 333.432 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001079634325 776566947 /nfs/dbraw/zinc/56/69/47/776566947.db2.gz ILFJQFKKDNGCFX-RBSFLKMASA-N 1 1 345.447 0.740 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3nccn3CC)C2)C1=O ZINC001079634325 776566955 /nfs/dbraw/zinc/56/69/55/776566955.db2.gz ILFJQFKKDNGCFX-RBSFLKMASA-N 1 1 345.447 0.740 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@@H]1O ZINC001044670399 776611072 /nfs/dbraw/zinc/61/10/72/776611072.db2.gz MXJUXAIZSVTRHT-WCVJEAGWSA-N 1 1 346.431 0.740 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055642 790466163 /nfs/dbraw/zinc/46/61/63/790466163.db2.gz ISVDDERJGCHHFJ-GLQYFDAESA-N 1 1 343.435 0.949 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055642 790466169 /nfs/dbraw/zinc/46/61/69/790466169.db2.gz ISVDDERJGCHHFJ-GLQYFDAESA-N 1 1 343.435 0.949 20 30 ECEDMO C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001079685391 776681964 /nfs/dbraw/zinc/68/19/64/776681964.db2.gz FVOQWUKFOKNMTC-DOTOQJQBSA-N 1 1 347.459 0.712 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001079695461 776708851 /nfs/dbraw/zinc/70/88/51/776708851.db2.gz YOHJEELJXZYJDM-UMVBOHGHSA-N 1 1 331.420 0.775 20 30 ECEDMO CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001079733152 776773603 /nfs/dbraw/zinc/77/36/03/776773603.db2.gz WNKSDUWBWRMVFT-INIZCTEOSA-N 1 1 335.448 0.426 20 30 ECEDMO CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001079733152 776773606 /nfs/dbraw/zinc/77/36/06/776773606.db2.gz WNKSDUWBWRMVFT-INIZCTEOSA-N 1 1 335.448 0.426 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001079741521 776785768 /nfs/dbraw/zinc/78/57/68/776785768.db2.gz LDACZKBWFBUKLD-INIZCTEOSA-N 1 1 333.432 0.180 20 30 ECEDMO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001079741521 776785770 /nfs/dbraw/zinc/78/57/70/776785770.db2.gz LDACZKBWFBUKLD-INIZCTEOSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070061471 790480836 /nfs/dbraw/zinc/48/08/36/790480836.db2.gz HPXOTERZFNKKIL-CVEARBPZSA-N 1 1 341.419 0.482 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070061471 790480844 /nfs/dbraw/zinc/48/08/44/790480844.db2.gz HPXOTERZFNKKIL-CVEARBPZSA-N 1 1 341.419 0.482 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001079778310 776857869 /nfs/dbraw/zinc/85/78/69/776857869.db2.gz WKXWZOFLNURSAH-DOTOQJQBSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC)nn2)[C@@H](n2ccnn2)C1 ZINC001070065950 790490760 /nfs/dbraw/zinc/49/07/60/790490760.db2.gz LUOKPXPYGVNRMG-OCCSQVGLSA-N 1 1 330.396 0.121 20 30 ECEDMO C=CCCC(=O)NC[C@H]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC001068532942 790495144 /nfs/dbraw/zinc/49/51/44/790495144.db2.gz ITAXVOWATOGEAF-CABCVRRESA-N 1 1 335.448 0.923 20 30 ECEDMO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079860018 776989937 /nfs/dbraw/zinc/98/99/37/776989937.db2.gz ROFIEZSQJCMSGC-GDBMZVCRSA-N 1 1 335.448 0.426 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1CN(C(=O)C#CC(C)C)C1 ZINC001079865490 776997785 /nfs/dbraw/zinc/99/77/85/776997785.db2.gz GKXMZESAHDHLLS-INIZCTEOSA-N 1 1 335.448 0.426 20 30 ECEDMO CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CN(C(=O)C#CC(C)C)C1 ZINC001079865490 776997791 /nfs/dbraw/zinc/99/77/91/776997791.db2.gz GKXMZESAHDHLLS-INIZCTEOSA-N 1 1 335.448 0.426 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001070069070 790500726 /nfs/dbraw/zinc/50/07/26/790500726.db2.gz CFQPXUDMPCLPRY-ZBFHGGJFSA-N 1 1 341.419 0.652 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001070069070 790500733 /nfs/dbraw/zinc/50/07/33/790500733.db2.gz CFQPXUDMPCLPRY-ZBFHGGJFSA-N 1 1 341.419 0.652 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1C ZINC001079878114 777011226 /nfs/dbraw/zinc/01/12/26/777011226.db2.gz GZNWUCBCYJPNHI-OIISXLGYSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1C ZINC001079878114 777011233 /nfs/dbraw/zinc/01/12/33/777011233.db2.gz GZNWUCBCYJPNHI-OIISXLGYSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1C ZINC001079878377 777011470 /nfs/dbraw/zinc/01/14/70/777011470.db2.gz WAWHYLYQFDHNSL-OIISXLGYSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1C ZINC001079878377 777011475 /nfs/dbraw/zinc/01/14/75/777011475.db2.gz WAWHYLYQFDHNSL-OIISXLGYSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079930509 777104932 /nfs/dbraw/zinc/10/49/32/777104932.db2.gz RYGWXBDPIGOPID-KRWDZBQOSA-N 1 1 348.491 0.484 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070072746 790509225 /nfs/dbraw/zinc/50/92/25/790509225.db2.gz SLHDQYAZFMDTAL-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070072746 790509228 /nfs/dbraw/zinc/50/92/28/790509228.db2.gz SLHDQYAZFMDTAL-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@H+](C)CCC)C1 ZINC001080008981 777221166 /nfs/dbraw/zinc/22/11/66/777221166.db2.gz LBIDDEHGCDLYRI-KRWDZBQOSA-N 1 1 348.491 0.485 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C2(COC)CC2)C1 ZINC001080008944 777221772 /nfs/dbraw/zinc/22/17/72/777221772.db2.gz JYADFEPGBBYSSJ-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C2(COC)CC2)C1 ZINC001080008944 777221782 /nfs/dbraw/zinc/22/17/82/777221782.db2.gz JYADFEPGBBYSSJ-INIZCTEOSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001080050921 777305340 /nfs/dbraw/zinc/30/53/40/777305340.db2.gz KAFFNTNHXUDKRR-DAXOMENPSA-N 1 1 343.431 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001080050921 777305347 /nfs/dbraw/zinc/30/53/47/777305347.db2.gz KAFFNTNHXUDKRR-DAXOMENPSA-N 1 1 343.431 0.622 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001080084444 777359178 /nfs/dbraw/zinc/35/91/78/777359178.db2.gz ZNTCYGNJSDUFRX-GDBMZVCRSA-N 1 1 348.447 0.906 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001080096670 777383341 /nfs/dbraw/zinc/38/33/41/777383341.db2.gz QVZFUCLAZMUAKW-UHFFFAOYSA-N 1 1 335.448 0.572 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001080325432 777688007 /nfs/dbraw/zinc/68/80/07/777688007.db2.gz CUWGVNAXKRZAHF-JYJNAYRXSA-N 1 1 349.475 0.814 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043187891 777913628 /nfs/dbraw/zinc/91/36/28/777913628.db2.gz XSULWTLOULGIDG-GDBMZVCRSA-N 1 1 349.475 0.642 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3C#N)C2)C1 ZINC001043211654 777973274 /nfs/dbraw/zinc/97/32/74/777973274.db2.gz QNQNAEVEVCOBFW-XYPHTWIQSA-N 1 1 343.431 0.355 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3C#N)C2)C1 ZINC001043211654 777973280 /nfs/dbraw/zinc/97/32/80/777973280.db2.gz QNQNAEVEVCOBFW-XYPHTWIQSA-N 1 1 343.431 0.355 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080560906 778043031 /nfs/dbraw/zinc/04/30/31/778043031.db2.gz GJOVZMNEPQRGCH-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)cc1 ZINC001080575468 778072505 /nfs/dbraw/zinc/07/25/05/778072505.db2.gz YADAAZGCPFQTRI-RHSMWYFYSA-N 1 1 343.427 0.837 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)cc1 ZINC001080575468 778072517 /nfs/dbraw/zinc/07/25/17/778072517.db2.gz YADAAZGCPFQTRI-RHSMWYFYSA-N 1 1 343.427 0.837 20 30 ECEDMO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043311169 778140124 /nfs/dbraw/zinc/14/01/24/778140124.db2.gz PSICEKRGGWIIJF-CVEARBPZSA-N 1 1 349.475 0.907 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001043429887 778314896 /nfs/dbraw/zinc/31/48/96/778314896.db2.gz HEPMVWKAFSRWDN-CQSZACIVSA-N 1 1 325.453 0.618 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001068574854 790611849 /nfs/dbraw/zinc/61/18/49/790611849.db2.gz BUVQSBIPRXUASR-HZPDHXFCSA-N 1 1 347.459 0.618 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)[C@@H](n2ccnn2)C1 ZINC001070102238 790612305 /nfs/dbraw/zinc/61/23/05/790612305.db2.gz XRHYZLHSKKCGNE-WQVCFCJDSA-N 1 1 341.419 0.334 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)[C@@H](n2ccnn2)C1 ZINC001070102238 790612308 /nfs/dbraw/zinc/61/23/08/790612308.db2.gz XRHYZLHSKKCGNE-WQVCFCJDSA-N 1 1 341.419 0.334 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)[C@@H](n2ccnn2)C1 ZINC001070103834 790619257 /nfs/dbraw/zinc/61/92/57/790619257.db2.gz MBZYMPWDECIPNB-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)[C@@H](n2ccnn2)C1 ZINC001070103834 790619261 /nfs/dbraw/zinc/61/92/61/790619261.db2.gz MBZYMPWDECIPNB-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001043515923 778448194 /nfs/dbraw/zinc/44/81/94/778448194.db2.gz AKXYOIPEJCBLHF-GZBFAFLISA-N 1 1 328.420 0.949 20 30 ECEDMO CC(C)C#CC(=O)NC1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCOCC1 ZINC001070108414 790630202 /nfs/dbraw/zinc/63/02/02/790630202.db2.gz BCFFDCZNBIAKOQ-MRXNPFEDSA-N 1 1 349.475 0.912 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 ZINC001068587184 790640555 /nfs/dbraw/zinc/64/05/55/790640555.db2.gz SFMWEQDLWJVNBY-UONOGXRCSA-N 1 1 336.436 0.362 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001043742137 778798120 /nfs/dbraw/zinc/79/81/20/778798120.db2.gz FEMPEXURTWZFML-UHFFFAOYSA-N 1 1 336.392 0.006 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNc3cnc(C#N)cn3)C2)CC[N@H+]1C ZINC001068610747 790703435 /nfs/dbraw/zinc/70/34/35/790703435.db2.gz RYTZTUUQWLKOOC-RGCMKSIDSA-N 1 1 328.420 0.995 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@@H]1n1ccnn1 ZINC001070131279 790709984 /nfs/dbraw/zinc/70/99/84/790709984.db2.gz SBJHFKMVYHEFDV-KGLIPLIRSA-N 1 1 347.810 0.784 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 ZINC001068614991 790713445 /nfs/dbraw/zinc/71/34/45/790713445.db2.gz HBJSXGUSZATRGQ-DZKIICNBSA-N 1 1 338.415 0.753 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 ZINC001068614991 790713456 /nfs/dbraw/zinc/71/34/56/790713456.db2.gz HBJSXGUSZATRGQ-DZKIICNBSA-N 1 1 338.415 0.753 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@@H]21 ZINC001042283317 779981917 /nfs/dbraw/zinc/98/19/17/779981917.db2.gz JMURNYPLCXFTCD-ZFWWWQNUSA-N 1 1 344.415 0.685 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]21 ZINC001042287712 779995131 /nfs/dbraw/zinc/99/51/31/779995131.db2.gz MKZOEECIWHNKFS-IRXDYDNUSA-N 1 1 342.443 0.806 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)C[C@@H]21 ZINC001042301797 780022469 /nfs/dbraw/zinc/02/24/69/780022469.db2.gz NVTJMMHBDLQPAI-GJZGRUSLSA-N 1 1 345.447 0.490 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]21 ZINC001042311005 780049287 /nfs/dbraw/zinc/04/92/87/780049287.db2.gz CVLYSWGBXRNFOZ-TZMCWYRMSA-N 1 1 342.403 0.530 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC001042333263 780087023 /nfs/dbraw/zinc/08/70/23/780087023.db2.gz NICIDILOJVWHMZ-UONOGXRCSA-N 1 1 346.431 0.263 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3-n3cnnn3)C[C@@H]21 ZINC001042348605 780115866 /nfs/dbraw/zinc/11/58/66/780115866.db2.gz LPYHRLZTSKGPRW-YOEHRIQHSA-N 1 1 336.399 0.832 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042509795 780365975 /nfs/dbraw/zinc/36/59/75/780365975.db2.gz CXZWEQISRCHBSR-VNHYZAJKSA-N 1 1 328.420 0.773 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)CCC)CO2 ZINC001068658783 790825542 /nfs/dbraw/zinc/82/55/42/790825542.db2.gz YWQMCBZGNTXPGR-CABCVRRESA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)CCC)CO2 ZINC001068658783 790825549 /nfs/dbraw/zinc/82/55/49/790825549.db2.gz YWQMCBZGNTXPGR-CABCVRRESA-N 1 1 333.432 0.370 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001079165800 780848418 /nfs/dbraw/zinc/84/84/18/780848418.db2.gz HULVURLDCJSNJS-ZDUSSCGKSA-N 1 1 347.423 0.009 20 30 ECEDMO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001042834650 780912029 /nfs/dbraw/zinc/91/20/29/780912029.db2.gz UZFURJFUXHQEHJ-HUUCEWRRSA-N 1 1 340.387 0.478 20 30 ECEDMO C=CC[NH+]1CCC2(CN(C(=O)CCc3c[nH]nn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079261735 780933553 /nfs/dbraw/zinc/93/35/53/780933553.db2.gz FQSTZYRBCBVPOK-JKSUJKDBSA-N 1 1 345.447 0.863 20 30 ECEDMO C=CC[NH+]1CCC2(CN(C(=O)CCc3cnn[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079261735 780933560 /nfs/dbraw/zinc/93/35/60/780933560.db2.gz FQSTZYRBCBVPOK-JKSUJKDBSA-N 1 1 345.447 0.863 20 30 ECEDMO CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001042862243 780956789 /nfs/dbraw/zinc/95/67/89/780956789.db2.gz ZFHXZHLOKOQICI-NWANDNLSSA-N 1 1 344.419 0.010 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3CCOCC3)C2)C1=O ZINC001079346577 781011961 /nfs/dbraw/zinc/01/19/61/781011961.db2.gz IKOCVOLQINYKAS-BMFZPTHFSA-N 1 1 335.448 0.636 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001042943531 781077805 /nfs/dbraw/zinc/07/78/05/781077805.db2.gz SCERAQHYJKNJFU-MRXNPFEDSA-N 1 1 349.475 0.456 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(CC)n2C)C1 ZINC001042959963 781100718 /nfs/dbraw/zinc/10/07/18/781100718.db2.gz IBSBHSXRITWIOA-HNNXBMFYSA-N 1 1 344.463 0.118 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nnc(CC)n2C)C1 ZINC001042959963 781100722 /nfs/dbraw/zinc/10/07/22/781100722.db2.gz IBSBHSXRITWIOA-HNNXBMFYSA-N 1 1 344.463 0.118 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001079468974 781155528 /nfs/dbraw/zinc/15/55/28/781155528.db2.gz QHTNNKWZVNXYOL-WQVCFCJDSA-N 1 1 345.447 0.566 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C)n(C)n3)C2)C1=O ZINC001079468974 781155530 /nfs/dbraw/zinc/15/55/30/781155530.db2.gz QHTNNKWZVNXYOL-WQVCFCJDSA-N 1 1 345.447 0.566 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001043044053 781237160 /nfs/dbraw/zinc/23/71/60/781237160.db2.gz SKYULOGCJMZPGF-OAHLLOKOSA-N 1 1 335.448 0.208 20 30 ECEDMO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043060506 781257405 /nfs/dbraw/zinc/25/74/05/781257405.db2.gz UHZKRGMHKKYJTF-CVEARBPZSA-N 1 1 347.459 0.210 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001043061191 781258256 /nfs/dbraw/zinc/25/82/56/781258256.db2.gz BAFRSSMAGFYGNG-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(Cc3ccc(C#N)s3)C2)O1 ZINC001043068226 781269252 /nfs/dbraw/zinc/26/92/52/781269252.db2.gz YFWLNLQADBQAGI-MLGOLLRUSA-N 1 1 348.472 0.981 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(Cc3ccc(C#N)s3)C2)O1 ZINC001043068226 781269262 /nfs/dbraw/zinc/26/92/62/781269262.db2.gz YFWLNLQADBQAGI-MLGOLLRUSA-N 1 1 348.472 0.981 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O ZINC001041402735 781440888 /nfs/dbraw/zinc/44/08/88/781440888.db2.gz BCVZVQLTULNDTP-OWCLPIDISA-N 1 1 343.431 0.493 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC001041406042 781445257 /nfs/dbraw/zinc/44/52/57/781445257.db2.gz IDKWREWYSVOKTF-GOSISDBHSA-N 1 1 326.400 0.281 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O ZINC001077676933 781484600 /nfs/dbraw/zinc/48/46/00/781484600.db2.gz QEIADSZDCONUKM-BMGDILEWSA-N 1 1 342.443 0.704 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)C2)C1 ZINC001041443552 781526856 /nfs/dbraw/zinc/52/68/56/781526856.db2.gz SVJRWSYJEMQMQV-SFHVURJKSA-N 1 1 340.383 0.584 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC001041449851 781540698 /nfs/dbraw/zinc/54/06/98/781540698.db2.gz AJDUJSXBRPMCPY-GOSISDBHSA-N 1 1 331.416 0.473 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041449989 781541752 /nfs/dbraw/zinc/54/17/52/781541752.db2.gz BSSBBWAJIGMPLP-GDBMZVCRSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041449989 781541753 /nfs/dbraw/zinc/54/17/53/781541753.db2.gz BSSBBWAJIGMPLP-GDBMZVCRSA-N 1 1 326.462 0.922 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001077742816 781631295 /nfs/dbraw/zinc/63/12/95/781631295.db2.gz IGFMPLKOFAFTTR-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001077742816 781631299 /nfs/dbraw/zinc/63/12/99/781631299.db2.gz IGFMPLKOFAFTTR-UONOGXRCSA-N 1 1 325.453 0.930 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C2)C1 ZINC001041499280 781635758 /nfs/dbraw/zinc/63/57/58/781635758.db2.gz VAXZUJOEXVKBLF-MAUKXSAKSA-N 1 1 341.415 0.313 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001077754515 781648151 /nfs/dbraw/zinc/64/81/51/781648151.db2.gz DYTAZNDUWGSSIC-CHWSQXEVSA-N 1 1 336.367 0.667 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001077838427 781801016 /nfs/dbraw/zinc/80/10/16/781801016.db2.gz WGYIRYWROFDHJD-HZPDHXFCSA-N 1 1 328.416 0.923 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001077904017 781908494 /nfs/dbraw/zinc/90/84/94/781908494.db2.gz FIFQPTWWVRQNLK-HUUCEWRRSA-N 1 1 329.404 0.628 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)CCCO1 ZINC001039908165 783257727 /nfs/dbraw/zinc/25/77/27/783257727.db2.gz SCGIYRRINIIMML-CVEARBPZSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(c3ncccc3C#N)CCCO2)C1 ZINC001039915171 783275075 /nfs/dbraw/zinc/27/50/75/783275075.db2.gz LOFUYFMOZFLECX-JKSUJKDBSA-N 1 1 343.431 0.616 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCCO)nn1 ZINC001039942167 783313110 /nfs/dbraw/zinc/31/31/10/783313110.db2.gz WMQOVJIUOIHAAL-GASCZTMLSA-N 1 1 333.436 0.916 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCCO)nn1 ZINC001039942167 783313122 /nfs/dbraw/zinc/31/31/22/783313122.db2.gz WMQOVJIUOIHAAL-GASCZTMLSA-N 1 1 333.436 0.916 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001040726417 783335891 /nfs/dbraw/zinc/33/58/91/783335891.db2.gz DYCCKLBCGRAQHU-YJBOKZPZSA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040807966 783477734 /nfs/dbraw/zinc/47/77/34/783477734.db2.gz YVENDIYDMQVNQC-KXBFYZLASA-N 1 1 349.475 0.907 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)C1 ZINC001040824955 783513234 /nfs/dbraw/zinc/51/32/34/783513234.db2.gz IMFJEXMEEAONDC-SOUVJXGZSA-N 1 1 340.431 0.727 20 30 ECEDMO C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001040099753 783541469 /nfs/dbraw/zinc/54/14/69/783541469.db2.gz LGDLZPRTZQDNQK-KRWDZBQOSA-N 1 1 325.453 0.763 20 30 ECEDMO Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070161047 783566779 /nfs/dbraw/zinc/56/67/79/783566779.db2.gz RTBJEZGQDICNNE-UHTWSYAYSA-N 1 1 329.364 0.276 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@@H]1n1ccnn1 ZINC001070187470 783620428 /nfs/dbraw/zinc/62/04/28/783620428.db2.gz AYTFNVQMYLQQNU-HZSPNIEDSA-N 1 1 339.827 0.797 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001070291959 783798601 /nfs/dbraw/zinc/79/86/01/783798601.db2.gz DAHXARMTFZJKCI-BMFZPTHFSA-N 1 1 343.435 0.798 20 30 ECEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@@H]1n1ccnn1 ZINC001070325866 783831413 /nfs/dbraw/zinc/83/14/13/783831413.db2.gz WOOUOMZZZIINTQ-CABCVRRESA-N 1 1 338.375 0.391 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001070403047 783977616 /nfs/dbraw/zinc/97/76/16/783977616.db2.gz JDPFMMCSLCGUNW-KBPBESRZSA-N 1 1 345.447 0.918 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001070403227 783977653 /nfs/dbraw/zinc/97/76/53/783977653.db2.gz NXCOWRWEICJBGS-HOCLYGCPSA-N 1 1 347.463 0.722 20 30 ECEDMO C[C@H](O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001070403441 783978943 /nfs/dbraw/zinc/97/89/43/783978943.db2.gz STILERJCBLRFES-RYUDHWBXSA-N 1 1 342.403 0.710 20 30 ECEDMO N#Cc1cc(C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCO)C2)c[nH]1 ZINC001070403536 783978956 /nfs/dbraw/zinc/97/89/56/783978956.db2.gz VNKVSKSKTIQOJQ-NSHDSACASA-N 1 1 328.376 0.321 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)nn2)C1 ZINC001070407369 783990876 /nfs/dbraw/zinc/99/08/76/783990876.db2.gz DMPBHMMNUKRCJQ-LBPRGKRZSA-N 1 1 327.392 0.281 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnnn2CC)C1 ZINC001070409676 783997108 /nfs/dbraw/zinc/99/71/08/783997108.db2.gz JTIHRTHHRHOGSP-LBPRGKRZSA-N 1 1 327.392 0.374 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001070412568 784004886 /nfs/dbraw/zinc/00/48/86/784004886.db2.gz DODLYMWTIIMSDS-ZENOOKHLSA-N 1 1 332.404 0.252 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001070416887 784020413 /nfs/dbraw/zinc/02/04/13/784020413.db2.gz QQSWWDRGBJAEPM-NSHDSACASA-N 1 1 341.371 0.454 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2csc(=O)[nH]2)C1 ZINC001070419709 784026173 /nfs/dbraw/zinc/02/61/73/784026173.db2.gz GTHOQIWKLSKXLD-SNVBAGLBSA-N 1 1 331.401 0.924 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nnn(C)n2)C1 ZINC001070420196 784027434 /nfs/dbraw/zinc/02/74/34/784027434.db2.gz SKMISYOHGPMALU-GFCCVEGCSA-N 1 1 344.423 0.619 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001070420108 784027565 /nfs/dbraw/zinc/02/75/65/784027565.db2.gz PZWGLPBVWQMIES-OCCSQVGLSA-N 1 1 331.420 0.622 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(C)n2)C1 ZINC001070431448 784053658 /nfs/dbraw/zinc/05/36/58/784053658.db2.gz VQSXLBFPDOXUJD-LBPRGKRZSA-N 1 1 329.408 0.834 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070443039 784088992 /nfs/dbraw/zinc/08/89/92/784088992.db2.gz VVHVNTIWNQHGMD-KBPBESRZSA-N 1 1 331.420 0.563 20 30 ECEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)[C@H](O)C(C)C)C[C@H]2c1nnc(C)[nH]1 ZINC001070444939 784095584 /nfs/dbraw/zinc/09/55/84/784095584.db2.gz XTZSJZJGLJVKIQ-LSDHHAIUSA-N 1 1 347.463 0.934 20 30 ECEDMO CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913173 784103807 /nfs/dbraw/zinc/10/38/07/784103807.db2.gz DEHMKZLUTOHUMI-OAGGEKHMSA-N 1 1 331.416 0.916 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1ccn(C)n1)C[C@H]2c1nnc(C)[nH]1 ZINC001070451303 784113446 /nfs/dbraw/zinc/11/34/46/784113446.db2.gz XVQGFDNKPVDLLJ-ZDUSSCGKSA-N 1 1 341.419 0.574 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[N@@H+](CCO)C[C@H]43)C2)C1 ZINC001070919528 784114907 /nfs/dbraw/zinc/11/49/07/784114907.db2.gz MBZQEKBRYGIRFE-KFWWJZLASA-N 1 1 349.431 0.441 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[N@H+](CCO)C[C@H]43)C2)C1 ZINC001070919528 784114912 /nfs/dbraw/zinc/11/49/12/784114912.db2.gz MBZQEKBRYGIRFE-KFWWJZLASA-N 1 1 349.431 0.441 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070454874 784121760 /nfs/dbraw/zinc/12/17/60/784121760.db2.gz VEQFLIHTKDLZMA-ZIAGYGMSSA-N 1 1 338.477 0.835 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070926278 784128526 /nfs/dbraw/zinc/12/85/26/784128526.db2.gz CMMIKPRLUXUYSP-BZUAXINKSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070926278 784128530 /nfs/dbraw/zinc/12/85/30/784128530.db2.gz CMMIKPRLUXUYSP-BZUAXINKSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)/C=C/c2ccco2)CC1 ZINC001070932250 784145880 /nfs/dbraw/zinc/14/58/80/784145880.db2.gz FZRZSTCKYKCMSU-VOTSOKGWSA-N 1 1 329.400 0.967 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)/C=C/c2ccco2)CC1 ZINC001070932250 784145884 /nfs/dbraw/zinc/14/58/84/784145884.db2.gz FZRZSTCKYKCMSU-VOTSOKGWSA-N 1 1 329.400 0.967 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001070953288 784210407 /nfs/dbraw/zinc/21/04/07/784210407.db2.gz GPVRGFWRSKHHCY-ZIAGYGMSSA-N 1 1 338.477 0.835 20 30 ECEDMO CO[C@H](C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956563 784221833 /nfs/dbraw/zinc/22/18/33/784221833.db2.gz SGCDYOURZJCIQC-CYBMUJFWSA-N 1 1 347.419 0.185 20 30 ECEDMO CO[C@H](C)C[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001070956563 784221840 /nfs/dbraw/zinc/22/18/40/784221840.db2.gz SGCDYOURZJCIQC-CYBMUJFWSA-N 1 1 347.419 0.185 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)c2N)CC1 ZINC001070957618 784225792 /nfs/dbraw/zinc/22/57/92/784225792.db2.gz NEVWGBQQWOARDT-UHFFFAOYSA-N 1 1 348.451 0.233 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(=O)NCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC001070962329 784239747 /nfs/dbraw/zinc/23/97/47/784239747.db2.gz ORSYXQXJVZULNJ-QGZVFWFLSA-N 1 1 347.459 0.477 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070544106 784249123 /nfs/dbraw/zinc/24/91/23/784249123.db2.gz GJYOTIHYKDOTNR-JLJPHGGASA-N 1 1 340.431 0.539 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CCCC)CC1 ZINC001070970626 784271022 /nfs/dbraw/zinc/27/10/22/784271022.db2.gz OTVKJLFPIPUHFL-KRWDZBQOSA-N 1 1 348.491 0.535 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001070971889 784276041 /nfs/dbraw/zinc/27/60/41/784276041.db2.gz XTWLFOWJIFZWNP-MRXNPFEDSA-N 1 1 334.464 0.145 20 30 ECEDMO CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C#N)c[nH]3)n[nH]2)O1 ZINC001070572874 784292223 /nfs/dbraw/zinc/29/22/23/784292223.db2.gz OPMKBFGRSVXYPA-WCQYABFASA-N 1 1 343.391 0.764 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(=O)NCC[N@@H+](CCC=C)CC2)c1 ZINC001070997733 784360954 /nfs/dbraw/zinc/36/09/54/784360954.db2.gz WJPKPIZZNCBVEY-UHFFFAOYSA-N 1 1 340.427 0.903 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(=O)NCC[N@H+](CCC=C)CC2)c1 ZINC001070997733 784360966 /nfs/dbraw/zinc/36/09/66/784360966.db2.gz WJPKPIZZNCBVEY-UHFFFAOYSA-N 1 1 340.427 0.903 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC001070998904 784366034 /nfs/dbraw/zinc/36/60/34/784366034.db2.gz ZRGVGIMXVNGFFB-UHFFFAOYSA-N 1 1 346.431 0.936 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC001070998904 784366042 /nfs/dbraw/zinc/36/60/42/784366042.db2.gz ZRGVGIMXVNGFFB-UHFFFAOYSA-N 1 1 346.431 0.936 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]n2)n1 ZINC001070598185 784410587 /nfs/dbraw/zinc/41/05/87/784410587.db2.gz QVLUCRJHTPAKHW-RYUDHWBXSA-N 1 1 331.380 0.529 20 30 ECEDMO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)[C@H]3CC[N@@H+](C)C3)n2)N(CC#N)C1 ZINC001070599048 784412061 /nfs/dbraw/zinc/41/20/61/784412061.db2.gz FEFIHMRXIQTAPD-KKUMJFAQSA-N 1 1 346.435 0.386 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2nc[nH]n2)n1 ZINC001070599189 784412245 /nfs/dbraw/zinc/41/22/45/784412245.db2.gz MQHMDPCKJLYMFD-STQMWFEESA-N 1 1 345.407 0.458 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2nnc[nH]2)n1 ZINC001070599189 784412252 /nfs/dbraw/zinc/41/22/52/784412252.db2.gz MQHMDPCKJLYMFD-STQMWFEESA-N 1 1 345.407 0.458 20 30 ECEDMO C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cc2nnc[nH]2)n1 ZINC001070599189 784412257 /nfs/dbraw/zinc/41/22/57/784412257.db2.gz MQHMDPCKJLYMFD-STQMWFEESA-N 1 1 345.407 0.458 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)n2cccn2)CC1 ZINC001071014302 784416084 /nfs/dbraw/zinc/41/60/84/784416084.db2.gz HXJVWNSQHDDFNJ-MRXNPFEDSA-N 1 1 345.447 0.508 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)n2cccn2)CC1 ZINC001071014302 784416087 /nfs/dbraw/zinc/41/60/87/784416087.db2.gz HXJVWNSQHDDFNJ-MRXNPFEDSA-N 1 1 345.447 0.508 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](OC)C2CCCC2)CC1 ZINC001071018488 784432932 /nfs/dbraw/zinc/43/29/32/784432932.db2.gz VGABEUCMBFJMRG-GOSISDBHSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](OC)C2CCCC2)CC1 ZINC001071018488 784432939 /nfs/dbraw/zinc/43/29/39/784432939.db2.gz VGABEUCMBFJMRG-GOSISDBHSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCCN1CCNC(=O)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001071021676 784443319 /nfs/dbraw/zinc/44/33/19/784443319.db2.gz AYLVQCMABCUIHC-CALCHBBNSA-N 1 1 348.491 0.533 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1c1cncn1C ZINC001070632433 784465942 /nfs/dbraw/zinc/46/59/42/784465942.db2.gz XWJLNOGYDYCKKS-HUUCEWRRSA-N 1 1 328.420 0.846 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC#N)CC2)CC[N@H+]1C ZINC001071056653 784493600 /nfs/dbraw/zinc/49/36/00/784493600.db2.gz GLRIHMGAIFLCCE-DZUCGIPZSA-N 1 1 334.464 0.836 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001070672928 784530685 /nfs/dbraw/zinc/53/06/85/784530685.db2.gz SJIXJAUPUUZSOG-KDOFPFPSSA-N 1 1 337.464 0.905 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3NCC#N)CC2)C1 ZINC001071098434 784539401 /nfs/dbraw/zinc/53/94/01/784539401.db2.gz NJHQTPHJMXLVAS-LESCRADOSA-N 1 1 334.464 0.837 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001071117058 784555860 /nfs/dbraw/zinc/55/58/60/784555860.db2.gz QEZAWNVXKVTVCT-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO CC#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001071117058 784555864 /nfs/dbraw/zinc/55/58/64/784555864.db2.gz QEZAWNVXKVTVCT-HZPDHXFCSA-N 1 1 335.448 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)[nH]n1)C[C@H](C)O2 ZINC001071129821 784572116 /nfs/dbraw/zinc/57/21/16/784572116.db2.gz RMLQSGRJDPGBSD-GUYCJALGSA-N 1 1 330.388 0.511 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001070730421 784616428 /nfs/dbraw/zinc/61/64/28/784616428.db2.gz GKMBCBGJKMCPCP-JKSUJKDBSA-N 1 1 337.464 0.864 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCOCC1)C[C@H](C)O2 ZINC001071157268 784622096 /nfs/dbraw/zinc/62/20/96/784622096.db2.gz VCGKLQSMKJERKP-FUHWJXTLSA-N 1 1 335.448 0.034 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc(C)o1)C[C@@H](C)O2 ZINC001071164089 784636967 /nfs/dbraw/zinc/63/69/67/784636967.db2.gz HHGLUVSVXBKCKN-CXAGYDPISA-N 1 1 332.404 0.636 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)C[C@H](C)O2 ZINC001071174209 784659864 /nfs/dbraw/zinc/65/98/64/784659864.db2.gz UVDBQJUUNVIFKM-KSSFIOAISA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)C[C@H](C)O2 ZINC001071174209 784659869 /nfs/dbraw/zinc/65/98/69/784659869.db2.gz UVDBQJUUNVIFKM-KSSFIOAISA-N 1 1 328.416 0.768 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1[nH]c(=O)[nH]c1C)C[C@@H](C)O2 ZINC001071178068 784670982 /nfs/dbraw/zinc/67/09/82/784670982.db2.gz KHSKVQQRKKHMSK-SJKOYZFVSA-N 1 1 332.404 0.752 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1[nH]c(=O)[nH]c1C)C[C@H](C)O2 ZINC001071178069 784671205 /nfs/dbraw/zinc/67/12/05/784671205.db2.gz KHSKVQQRKKHMSK-YVEFUNNKSA-N 1 1 332.404 0.752 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@@H](C)O2 ZINC001071183679 784685148 /nfs/dbraw/zinc/68/51/48/784685148.db2.gz RMPLIDJRLJQWJQ-VQIMIIECSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc3ncnn31)C[C@@H](C)O2 ZINC001071186678 784691969 /nfs/dbraw/zinc/69/19/69/784691969.db2.gz WJJBDEXKSBQEJN-RDTXWAMCSA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@@H](C)O2 ZINC001071189450 784694360 /nfs/dbraw/zinc/69/43/60/784694360.db2.gz LEKQKAVCXOQPLP-RDTXWAMCSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cc(C)nn1C)C[C@@H](C)O2 ZINC001071189543 784695237 /nfs/dbraw/zinc/69/52/37/784695237.db2.gz MGEZFPSJZPUIPN-CRAIPNDOSA-N 1 1 330.432 0.596 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ncc(OC)cn1)C[C@H](C)O2 ZINC001071189979 784696486 /nfs/dbraw/zinc/69/64/86/784696486.db2.gz RWVRAMBBBVCKLS-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071190145 784696705 /nfs/dbraw/zinc/69/67/05/784696705.db2.gz UVJABOZJDFJTMW-KSSFIOAISA-N 1 1 331.416 0.877 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071190145 784696711 /nfs/dbraw/zinc/69/67/11/784696711.db2.gz UVJABOZJDFJTMW-KSSFIOAISA-N 1 1 331.416 0.877 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071190329 784698179 /nfs/dbraw/zinc/69/81/79/784698179.db2.gz XJWYFTSYRRPQLO-HNAYVOBHSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001070811511 784708247 /nfs/dbraw/zinc/70/82/47/784708247.db2.gz PQZPWSQFKVAZLN-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001070811511 784708250 /nfs/dbraw/zinc/70/82/50/784708250.db2.gz PQZPWSQFKVAZLN-CVEARBPZSA-N 1 1 335.448 0.618 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001071196510 784714293 /nfs/dbraw/zinc/71/42/93/784714293.db2.gz CWYGQJQQERDZPI-KBXCAEBGSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001071196510 784714296 /nfs/dbraw/zinc/71/42/96/784714296.db2.gz CWYGQJQQERDZPI-KBXCAEBGSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccn3nnnc3c1)C[C@H](C)O2 ZINC001071200384 784722485 /nfs/dbraw/zinc/72/24/85/784722485.db2.gz WCYGXGMCJGYFMO-SUMWQHHRSA-N 1 1 342.403 0.616 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c(C)nc[nH]c1=O)C[C@H](C)O2 ZINC001071202410 784724479 /nfs/dbraw/zinc/72/44/79/784724479.db2.gz UWKRAVGQLUKSKM-UGSOOPFHSA-N 1 1 344.415 0.819 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccoc1CC(N)=O)C[C@@H](C)O2 ZINC001071203510 784727032 /nfs/dbraw/zinc/72/70/32/784727032.db2.gz CJNPVZKKBJVSIG-ACJLOTCBSA-N 1 1 347.415 0.799 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCN1CCOCC1)C[C@@H](C)O2 ZINC001071218057 784761137 /nfs/dbraw/zinc/76/11/37/784761137.db2.gz IEEGUOCEGTVPCM-AEFFLSMTSA-N 1 1 335.448 0.034 20 30 ECEDMO CC#CCN1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071227334 784785548 /nfs/dbraw/zinc/78/55/48/784785548.db2.gz DFECNMORLSJMCY-APWZRJJASA-N 1 1 331.460 0.797 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)nn1)C[C@H](C)O2 ZINC001071230939 784793087 /nfs/dbraw/zinc/79/30/87/784793087.db2.gz LNNNDDLOYFEFHR-KSSFIOAISA-N 1 1 343.431 0.481 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)nn1)C[C@H](C)O2 ZINC001071230939 784793090 /nfs/dbraw/zinc/79/30/90/784793090.db2.gz LNNNDDLOYFEFHR-KSSFIOAISA-N 1 1 343.431 0.481 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C[C@@H](C)O2 ZINC001071238393 784806998 /nfs/dbraw/zinc/80/69/98/784806998.db2.gz MEQSQTDZTKUWCT-KDOFPFPSSA-N 1 1 344.415 0.109 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCN1CCCC1=O)C[C@H](C)O2 ZINC001071239086 784808376 /nfs/dbraw/zinc/80/83/76/784808376.db2.gz WGFOQRQVIBSRKE-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3n[nH]nc3c1)C[C@@H](C)O2 ZINC001071240757 784814141 /nfs/dbraw/zinc/81/41/41/784814141.db2.gz KLXBRYCEONMGFQ-ACJLOTCBSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@H](C)O2 ZINC001071243370 784820334 /nfs/dbraw/zinc/82/03/34/784820334.db2.gz FKAXAMUNUTUGTD-KBXCAEBGSA-N 1 1 346.431 0.053 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@@H](C)O2 ZINC001071243371 784820725 /nfs/dbraw/zinc/82/07/25/784820725.db2.gz FKAXAMUNUTUGTD-KDOFPFPSSA-N 1 1 346.431 0.053 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)C[C@H](C)O2 ZINC001071245453 784824800 /nfs/dbraw/zinc/82/48/00/784824800.db2.gz CTTYYPZGJICLNH-UGSOOPFHSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OCC)cn1)C[C@@H](C)O2 ZINC001071246481 784828250 /nfs/dbraw/zinc/82/82/50/784828250.db2.gz VPBOJTOFSYQTCT-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnc(OCC)cn1)C[C@@H](C)O2 ZINC001071246481 784828258 /nfs/dbraw/zinc/82/82/58/784828258.db2.gz VPBOJTOFSYQTCT-KDOFPFPSSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@H](C)O2 ZINC001071246633 784828486 /nfs/dbraw/zinc/82/84/86/784828486.db2.gz YRZBZCMQQASBGY-SUMWQHHRSA-N 1 1 331.420 0.545 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nn(CC)nc1C)C[C@H](C)O2 ZINC001071246633 784828492 /nfs/dbraw/zinc/82/84/92/784828492.db2.gz YRZBZCMQQASBGY-SUMWQHHRSA-N 1 1 331.420 0.545 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)nc1)C[C@@H](C)O2 ZINC001071248822 784832302 /nfs/dbraw/zinc/83/23/02/784832302.db2.gz UEASRXHPJUAZKE-ACJLOTCBSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccnn3C)C2)C(=O)C1 ZINC001071257393 784859564 /nfs/dbraw/zinc/85/95/64/784859564.db2.gz YIYUKQSNGMIWOE-OAHLLOKOSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccnn3C)C2)C(=O)C1 ZINC001071257393 784859567 /nfs/dbraw/zinc/85/95/67/784859567.db2.gz YIYUKQSNGMIWOE-OAHLLOKOSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C(=O)C1 ZINC001071269035 784897390 /nfs/dbraw/zinc/89/73/90/784897390.db2.gz ITZWDUURYQTEBP-CBZIJGRNSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C(=O)C1 ZINC001071269035 784897397 /nfs/dbraw/zinc/89/73/97/784897397.db2.gz ITZWDUURYQTEBP-CBZIJGRNSA-N 1 1 347.459 0.590 20 30 ECEDMO C=CCCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277116 784922246 /nfs/dbraw/zinc/92/22/46/784922246.db2.gz LDCGGKQAWBBOLE-SJORKVTESA-N 1 1 348.491 0.649 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071413599 785061746 /nfs/dbraw/zinc/06/17/46/785061746.db2.gz JVEMDFMTAGNLKW-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CC(=O)N1CCC1 ZINC001071413599 785061751 /nfs/dbraw/zinc/06/17/51/785061751.db2.gz JVEMDFMTAGNLKW-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071414247 785061955 /nfs/dbraw/zinc/06/19/55/785061955.db2.gz RHRUNYPHJFSWHN-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CC(=O)NC1CC1 ZINC001071414247 785061962 /nfs/dbraw/zinc/06/19/62/785061962.db2.gz RHRUNYPHJFSWHN-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001071810918 785139362 /nfs/dbraw/zinc/13/93/62/785139362.db2.gz FILDAXJXTJXNOI-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)N3CCC3)C2)c1 ZINC001071813653 785145281 /nfs/dbraw/zinc/14/52/81/785145281.db2.gz CTBHQGDDJGSNPR-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001071813653 785145284 /nfs/dbraw/zinc/14/52/84/785145284.db2.gz CTBHQGDDJGSNPR-WMLDXEAASA-N 1 1 340.427 0.878 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[C@H]1C ZINC001071814555 785147298 /nfs/dbraw/zinc/14/72/98/785147298.db2.gz JUHLBYOKRZXWOR-GHMZBOCLSA-N 1 1 341.437 0.216 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2ncn3nccc3c2=O)CC[C@H]1C ZINC001071862642 785236354 /nfs/dbraw/zinc/23/63/54/785236354.db2.gz YDNXROXKVDYXJW-ZIAGYGMSSA-N 1 1 344.419 0.436 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)CC[C@H]1C ZINC001071531252 785254227 /nfs/dbraw/zinc/25/42/27/785254227.db2.gz JIDRDCHPVNPHSI-KGLIPLIRSA-N 1 1 332.452 0.963 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1C ZINC001071548578 785284114 /nfs/dbraw/zinc/28/41/14/785284114.db2.gz HWWUPXJWBBLMGX-LSDHHAIUSA-N 1 1 348.447 0.482 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cn2ncc3c2nc[nH]c3=O)CC[C@H]1C ZINC001071907763 785307596 /nfs/dbraw/zinc/30/75/96/785307596.db2.gz GIDGFXYKPFSVRJ-CHWSQXEVSA-N 1 1 342.403 0.064 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@H]1C ZINC001071622618 785408143 /nfs/dbraw/zinc/40/81/43/785408143.db2.gz MFNVFCMLLYCYPD-DGCLKSJQSA-N 1 1 339.417 0.533 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@H]1C ZINC001071622618 785408147 /nfs/dbraw/zinc/40/81/47/785408147.db2.gz MFNVFCMLLYCYPD-DGCLKSJQSA-N 1 1 339.417 0.533 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@@H]1C ZINC001071966233 785432475 /nfs/dbraw/zinc/43/24/75/785432475.db2.gz CVMYYPJRWDSZDL-GJZGRUSLSA-N 1 1 347.463 0.926 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC[C@@H]1C ZINC001071646201 785441542 /nfs/dbraw/zinc/44/15/42/785441542.db2.gz UBKSKXKVUNFZOT-QWRGUYRKSA-N 1 1 327.406 0.696 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc3sccn3c2=O)CC[C@@H]1C ZINC001071662373 785475586 /nfs/dbraw/zinc/47/55/86/785475586.db2.gz CGZLFRTUGVOSKG-NWDGAFQWSA-N 1 1 330.413 0.972 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@@H]1C ZINC001071688907 785528241 /nfs/dbraw/zinc/52/82/41/785528241.db2.gz BEBQYULHCUARCS-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1C ZINC001072050285 785573959 /nfs/dbraw/zinc/57/39/59/785573959.db2.gz USRARVDSQNVTQR-QWHCGFSZSA-N 1 1 336.436 0.862 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@H]1C ZINC001071724968 785593693 /nfs/dbraw/zinc/59/36/93/785593693.db2.gz OHUVXDXCAXPOBL-DGCLKSJQSA-N 1 1 342.407 0.300 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@H]1C ZINC001071724968 785593700 /nfs/dbraw/zinc/59/37/00/785593700.db2.gz OHUVXDXCAXPOBL-DGCLKSJQSA-N 1 1 342.407 0.300 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001072093220 785656676 /nfs/dbraw/zinc/65/66/76/785656676.db2.gz DERKALHPTLHRQM-GOEBONIOSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001072389469 786121308 /nfs/dbraw/zinc/12/13/08/786121308.db2.gz CVLDZZWLCZCLMM-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cc(C)on4)C3)C2)C1=O ZINC001072449441 786199088 /nfs/dbraw/zinc/19/90/88/786199088.db2.gz TZWKSJSBLZETTN-OAHLLOKOSA-N 1 1 344.415 0.918 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H](CC)OC)C3)C2)C1=O ZINC001072533269 786336909 /nfs/dbraw/zinc/33/69/09/786336909.db2.gz KXOPBGGCUQVDRV-HUUCEWRRSA-N 1 1 335.448 0.733 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC[C@H](C)C1)C2 ZINC001072553337 786358019 /nfs/dbraw/zinc/35/80/19/786358019.db2.gz XVEUYXSPPINWLN-LSDHHAIUSA-N 1 1 332.448 0.939 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)C(=O)C(C)(C)C)C3)C2)C1=O ZINC001072556672 786364467 /nfs/dbraw/zinc/36/44/67/786364467.db2.gz VUJXERKQMZXQHQ-CQSZACIVSA-N 1 1 347.459 0.923 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)C(=O)C(C)(C)C)C3)C2)C1=O ZINC001072556672 786364474 /nfs/dbraw/zinc/36/44/74/786364474.db2.gz VUJXERKQMZXQHQ-CQSZACIVSA-N 1 1 347.459 0.923 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3nnc(C)[nH]3)C[C@H]21 ZINC001074239023 786483467 /nfs/dbraw/zinc/48/34/67/786483467.db2.gz VETWNGLNFJJJFK-CABCVRRESA-N 1 1 333.436 0.924 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3nnc(C)[nH]3)C[C@H]21 ZINC001074239023 786483472 /nfs/dbraw/zinc/48/34/72/786483472.db2.gz VETWNGLNFJJJFK-CABCVRRESA-N 1 1 333.436 0.924 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001073551595 786563412 /nfs/dbraw/zinc/56/34/12/786563412.db2.gz RXLGABUIAAFYIG-OAHLLOKOSA-N 1 1 334.464 0.259 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)no1 ZINC001074281950 786582191 /nfs/dbraw/zinc/58/21/91/786582191.db2.gz KKLVGIJTHJGCFN-CABCVRRESA-N 1 1 333.392 0.175 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3cocn3)C2)C1=O ZINC001073556868 786591156 /nfs/dbraw/zinc/59/11/56/786591156.db2.gz QSAWERAECVFKAN-DZGCQCFKSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)c3cocn3)C2)C1=O ZINC001073556868 786591162 /nfs/dbraw/zinc/59/11/62/786591162.db2.gz QSAWERAECVFKAN-DZGCQCFKSA-N 1 1 348.403 0.282 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)C3CC=CC3)C2)C1=O ZINC001073560370 786603909 /nfs/dbraw/zinc/60/39/09/786603909.db2.gz KCMHMUVRLJJDFG-IAGOWNOFSA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)C3CC=CC3)C2)C1=O ZINC001073560370 786603918 /nfs/dbraw/zinc/60/39/18/786603918.db2.gz KCMHMUVRLJJDFG-IAGOWNOFSA-N 1 1 347.459 0.947 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ncc(OC)cn3)C[C@H]21 ZINC001074293632 786613131 /nfs/dbraw/zinc/61/31/31/786613131.db2.gz ARZCJGLYOBOKDG-CABCVRRESA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ncc(OC)cn3)C[C@H]21 ZINC001074293632 786613133 /nfs/dbraw/zinc/61/31/33/786613133.db2.gz ARZCJGLYOBOKDG-CABCVRRESA-N 1 1 332.404 0.977 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001073572761 786647238 /nfs/dbraw/zinc/64/72/38/786647238.db2.gz LRKRNMYSCTZTCI-OAHLLOKOSA-N 1 1 334.464 0.259 20 30 ECEDMO Cn1cc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001073577085 786660560 /nfs/dbraw/zinc/66/05/60/786660560.db2.gz MDPQYXJSAFBNQJ-INIZCTEOSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1cc(C[N@H+]2CCCO[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001073577085 786660567 /nfs/dbraw/zinc/66/05/67/786660567.db2.gz MDPQYXJSAFBNQJ-INIZCTEOSA-N 1 1 342.403 0.641 20 30 ECEDMO C=CCCC(=O)N1CC(N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001073584235 786689358 /nfs/dbraw/zinc/68/93/58/786689358.db2.gz BEPVAOGDWGWZDF-UHFFFAOYSA-N 1 1 336.480 0.649 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(CCOC)nc2C)C1 ZINC001073601452 786748102 /nfs/dbraw/zinc/74/81/02/786748102.db2.gz MRSNOVQCAMQMBO-HNNXBMFYSA-N 1 1 334.420 0.292 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CCOC)nc2C)C1 ZINC001073601452 786748104 /nfs/dbraw/zinc/74/81/04/786748104.db2.gz MRSNOVQCAMQMBO-HNNXBMFYSA-N 1 1 334.420 0.292 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC001073605239 786758536 /nfs/dbraw/zinc/75/85/36/786758536.db2.gz FZRQCEHIWFPLQS-HNNXBMFYSA-N 1 1 331.420 0.847 20 30 ECEDMO CC#CCN1CCO[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001074362929 786759959 /nfs/dbraw/zinc/75/99/59/786759959.db2.gz LXEIHJTZKHIHOK-SJORKVTESA-N 1 1 335.448 0.034 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001073633973 786829181 /nfs/dbraw/zinc/82/91/81/786829181.db2.gz KLWLHNGPBLXTNV-CYBMUJFWSA-N 1 1 348.447 0.991 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001073647114 786864163 /nfs/dbraw/zinc/86/41/63/786864163.db2.gz FFQVQJQEKZGBMP-ZDUSSCGKSA-N 1 1 330.388 0.514 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001073647114 786864171 /nfs/dbraw/zinc/86/41/71/786864171.db2.gz FFQVQJQEKZGBMP-ZDUSSCGKSA-N 1 1 330.388 0.514 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001073654727 786883602 /nfs/dbraw/zinc/88/36/02/786883602.db2.gz LLOYJXOLZKUEDH-HNNXBMFYSA-N 1 1 327.388 0.802 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001073667838 786919388 /nfs/dbraw/zinc/91/93/88/786919388.db2.gz PHORSBDYGPBXTC-INIZCTEOSA-N 1 1 341.415 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)C2CCC(C(N)=O)CC2)C1 ZINC001073671286 786928842 /nfs/dbraw/zinc/92/88/42/786928842.db2.gz ZXACVESHWGIEMF-UYSNPLJNSA-N 1 1 335.448 0.509 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001073717060 787042764 /nfs/dbraw/zinc/04/27/64/787042764.db2.gz UWXPSOCEQVRQQZ-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001073717060 787042775 /nfs/dbraw/zinc/04/27/75/787042775.db2.gz UWXPSOCEQVRQQZ-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@H](C)C(=O)NC)CCCO2)cc1 ZINC001073723364 787063162 /nfs/dbraw/zinc/06/31/62/787063162.db2.gz HSLDXALCEWQMKL-PBHICJAKSA-N 1 1 343.427 0.623 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@H](C)C(=O)NC)CCCO2)cc1 ZINC001073723364 787063164 /nfs/dbraw/zinc/06/31/64/787063164.db2.gz HSLDXALCEWQMKL-PBHICJAKSA-N 1 1 343.427 0.623 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001073745866 787111010 /nfs/dbraw/zinc/11/10/10/787111010.db2.gz KAOHTTPJEGQWGA-CABCVRRESA-N 1 1 343.418 0.804 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001073745866 787111014 /nfs/dbraw/zinc/11/10/14/787111014.db2.gz KAOHTTPJEGQWGA-CABCVRRESA-N 1 1 343.418 0.804 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001074512272 787133268 /nfs/dbraw/zinc/13/32/68/787133268.db2.gz OEJNAUARMXDRPO-UHFFFAOYSA-N 1 1 334.420 0.627 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3c2ncn3C)C1 ZINC001073762712 787150944 /nfs/dbraw/zinc/15/09/44/787150944.db2.gz KXCUTFRKNNPYKF-AWEZNQCLSA-N 1 1 341.415 0.812 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2nnn(CC)c2CC)C1 ZINC001073763204 787152027 /nfs/dbraw/zinc/15/20/27/787152027.db2.gz YLGJXTBZBOSQOH-AWEZNQCLSA-N 1 1 333.436 0.704 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001073766432 787161429 /nfs/dbraw/zinc/16/14/29/787161429.db2.gz FTMWMILPQKJWCF-AWEZNQCLSA-N 1 1 341.415 0.812 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccnn2C)CCCO1 ZINC001073775549 787183380 /nfs/dbraw/zinc/18/33/80/787183380.db2.gz WMWSACPJVFHCRK-ZACQAIPSSA-N 1 1 348.447 0.718 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccnn2C)CCCO1 ZINC001073775549 787183384 /nfs/dbraw/zinc/18/33/84/787183384.db2.gz WMWSACPJVFHCRK-ZACQAIPSSA-N 1 1 348.447 0.718 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001073821028 787266493 /nfs/dbraw/zinc/26/64/93/787266493.db2.gz ZCYOSAUTSCLNGU-GJZGRUSLSA-N 1 1 325.453 0.882 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2[nH]ncc2Br)C1 ZINC001073821350 787267089 /nfs/dbraw/zinc/26/70/89/787267089.db2.gz HQARORWVHNMYEN-SNVBAGLBSA-N 1 1 341.209 0.626 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2[nH]ncc2Br)C1 ZINC001073821350 787267094 /nfs/dbraw/zinc/26/70/94/787267094.db2.gz HQARORWVHNMYEN-SNVBAGLBSA-N 1 1 341.209 0.626 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCO[C@H](CNC(=O)c3nnc[nH]3)C2)c1 ZINC001073824356 787276144 /nfs/dbraw/zinc/27/61/44/787276144.db2.gz RCYCVOYAYJRPSG-OAHLLOKOSA-N 1 1 340.387 0.697 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001074579296 787308730 /nfs/dbraw/zinc/30/87/30/787308730.db2.gz BMXDOSQZDQLDPZ-CVEARBPZSA-N 1 1 349.475 0.313 20 30 ECEDMO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001074579270 787308794 /nfs/dbraw/zinc/30/87/94/787308794.db2.gz APDYIJCYWLZQPP-MRXNPFEDSA-N 1 1 349.475 0.600 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3nccc3nc2C)C1 ZINC001073839061 787321432 /nfs/dbraw/zinc/32/14/32/787321432.db2.gz IHPQIEPRAXYFKP-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001074593222 787347131 /nfs/dbraw/zinc/34/71/31/787347131.db2.gz KURWBBGGTIKSED-HNNXBMFYSA-N 1 1 337.464 0.764 20 30 ECEDMO C=C(C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001074608920 787382765 /nfs/dbraw/zinc/38/27/65/787382765.db2.gz KQLGDIOTJQJUMA-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cccnc2OCC#C)C1 ZINC001073861688 787387194 /nfs/dbraw/zinc/38/71/94/787387194.db2.gz HAFSHZTXROKMKN-INIZCTEOSA-N 1 1 341.411 0.938 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001073862651 787390481 /nfs/dbraw/zinc/39/04/81/787390481.db2.gz VKXUCRDFWNDXKO-OAHLLOKOSA-N 1 1 343.427 0.842 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001073862651 787390490 /nfs/dbraw/zinc/39/04/90/787390490.db2.gz VKXUCRDFWNDXKO-OAHLLOKOSA-N 1 1 343.427 0.842 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001073872594 787412542 /nfs/dbraw/zinc/41/25/42/787412542.db2.gz UQRPYALKJNRYNR-CVEARBPZSA-N 1 1 339.436 0.017 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001073873665 787416559 /nfs/dbraw/zinc/41/65/59/787416559.db2.gz GRPPOJGVXKDKSH-CQSZACIVSA-N 1 1 346.431 0.838 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001073877255 787421384 /nfs/dbraw/zinc/42/13/84/787421384.db2.gz ZPYXLBOCDLSPRM-CQSZACIVSA-N 1 1 342.403 0.277 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001073896048 787465085 /nfs/dbraw/zinc/46/50/85/787465085.db2.gz JMSRDSGAQZAXDX-HZPDHXFCSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001073899617 787475182 /nfs/dbraw/zinc/47/51/82/787475182.db2.gz YRFUVHZFYGRRMO-HOTGVXAUSA-N 1 1 347.463 0.932 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(N(C)C)cn2)C1 ZINC001073905634 787490404 /nfs/dbraw/zinc/49/04/04/787490404.db2.gz LAMBNYFCYCAIQN-INIZCTEOSA-N 1 1 330.432 0.992 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001073906103 787492247 /nfs/dbraw/zinc/49/22/47/787492247.db2.gz SRNPGCFPLNWXRR-ZDUSSCGKSA-N 1 1 332.404 0.577 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074646165 787492668 /nfs/dbraw/zinc/49/26/68/787492668.db2.gz MRQOQQOZMZIIDX-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001073908169 787495279 /nfs/dbraw/zinc/49/52/79/787495279.db2.gz CQHRUXPQQOIRCJ-DAWZGUTISA-N 1 1 349.475 0.912 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001073908175 787495464 /nfs/dbraw/zinc/49/54/64/787495464.db2.gz CVDSBDUCXKYMBH-OAHLLOKOSA-N 1 1 346.431 0.967 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 ZINC001074656245 787520182 /nfs/dbraw/zinc/52/01/82/787520182.db2.gz DANDOIUCSFMVKB-CQSZACIVSA-N 1 1 338.452 0.348 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)[C@@H]1C ZINC001074656998 787522905 /nfs/dbraw/zinc/52/29/05/787522905.db2.gz NWFGDWOHZFXGKD-UKMLZYKCSA-N 1 1 333.436 0.875 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3cnc[nH]3)[C@H]2C)C1=O ZINC001074680710 787577713 /nfs/dbraw/zinc/57/77/13/787577713.db2.gz WUOUMEYIVRNYTB-CWRNSKLLSA-N 1 1 345.447 0.708 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001073971011 787607463 /nfs/dbraw/zinc/60/74/63/787607463.db2.gz CYUGQYXZYMNPGD-ZBFHGGJFSA-N 1 1 346.431 0.585 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001074731429 787722014 /nfs/dbraw/zinc/72/20/14/787722014.db2.gz QXJSMSQZWXBJMJ-UONOGXRCSA-N 1 1 336.436 0.100 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnnn3C)[C@@H]2C)c1 ZINC001074863187 788456527 /nfs/dbraw/zinc/45/65/27/788456527.db2.gz NBEHMSIPKNMPFL-XUJVJEKNSA-N 1 1 339.403 0.540 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cn(CC)nn2)[C@@H]1C ZINC001074898056 788516576 /nfs/dbraw/zinc/51/65/76/788516576.db2.gz KGVWSAJNBWDSIB-UKMLZYKCSA-N 1 1 333.436 0.968 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](CC(=O)N1CCCCC1)C2 ZINC001072716112 788641971 /nfs/dbraw/zinc/64/19/71/788641971.db2.gz DVSALXVMQVKLMS-UHFFFAOYSA-N 1 1 329.444 0.947 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CC[N@H+](CC(=O)N1CCCCC1)C2 ZINC001072716112 788641973 /nfs/dbraw/zinc/64/19/73/788641973.db2.gz DVSALXVMQVKLMS-UHFFFAOYSA-N 1 1 329.444 0.947 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001072747982 788707214 /nfs/dbraw/zinc/70/72/14/788707214.db2.gz QYBJMKSJTOHRSC-OAGGEKHMSA-N 1 1 347.459 0.733 20 30 ECEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)N(C)C)C2)C1 ZINC001072813451 788867980 /nfs/dbraw/zinc/86/79/80/788867980.db2.gz SDWJHSNRCZPCNL-INIZCTEOSA-N 1 1 331.464 0.924 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cccc4c3NC(=O)CO4)C2)C1 ZINC001072819883 788885303 /nfs/dbraw/zinc/88/53/03/788885303.db2.gz IJQACORKJUZEIL-UHFFFAOYSA-N 1 1 325.368 0.799 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)c3ccc(S(N)(=O)=O)o3)C2)C1 ZINC001072895005 789056033 /nfs/dbraw/zinc/05/60/33/789056033.db2.gz WAUQSPHFRQSAHU-UHFFFAOYSA-N 1 1 339.417 0.651 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)Cc4cnoc4)C3)C2)C1=O ZINC001072909408 789091763 /nfs/dbraw/zinc/09/17/63/789091763.db2.gz ZCAXQFMHFKPFGH-HNNXBMFYSA-N 1 1 344.415 0.538 20 30 ECEDMO C=CCOCC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001072922680 789119851 /nfs/dbraw/zinc/11/98/51/789119851.db2.gz XCTNLTQRUVXQOI-CQSZACIVSA-N 1 1 339.436 0.017 20 30 ECEDMO C=CCOCC(=O)NC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001072922680 789119859 /nfs/dbraw/zinc/11/98/59/789119859.db2.gz XCTNLTQRUVXQOI-CQSZACIVSA-N 1 1 339.436 0.017 20 30 ECEDMO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075253567 789123671 /nfs/dbraw/zinc/12/36/71/789123671.db2.gz CQSAUGMXBLNBRI-WCQYABFASA-N 1 1 342.407 0.298 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C2)C1 ZINC001072978317 789202000 /nfs/dbraw/zinc/20/20/00/789202000.db2.gz OSGQCZVEMARFMU-UHFFFAOYSA-N 1 1 342.443 0.694 20 30 ECEDMO C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001075394934 789321682 /nfs/dbraw/zinc/32/16/82/789321682.db2.gz JAUQKAVNEWXFSF-HOCLYGCPSA-N 1 1 346.431 0.748 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CCc3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001075616118 789574158 /nfs/dbraw/zinc/57/41/58/789574158.db2.gz KCIBMZUZRYOCJQ-HZSPNIEDSA-N 1 1 345.451 0.663 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)c(F)c1 ZINC001075632865 789597056 /nfs/dbraw/zinc/59/70/56/789597056.db2.gz RIFFLOKFIJVQIZ-DZGCQCFKSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)c(F)c1 ZINC001075632865 789597062 /nfs/dbraw/zinc/59/70/62/789597062.db2.gz RIFFLOKFIJVQIZ-DZGCQCFKSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)c1 ZINC001075658448 789623904 /nfs/dbraw/zinc/62/39/04/789623904.db2.gz CTAOJTLAKHNADY-AEGPPILISA-N 1 1 327.388 0.311 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)C1CC1 ZINC001075658885 789625482 /nfs/dbraw/zinc/62/54/82/789625482.db2.gz YOMJRNPABBCAQD-XJKSGUPXSA-N 1 1 341.415 0.653 20 30 ECEDMO CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)C1CC1 ZINC001075658885 789625488 /nfs/dbraw/zinc/62/54/88/789625488.db2.gz YOMJRNPABBCAQD-XJKSGUPXSA-N 1 1 341.415 0.653 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001073386684 789779327 /nfs/dbraw/zinc/77/93/27/789779327.db2.gz AUBHTVZFRQBYGO-HOTGVXAUSA-N 1 1 349.475 0.720 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001073386684 789779331 /nfs/dbraw/zinc/77/93/31/789779331.db2.gz AUBHTVZFRQBYGO-HOTGVXAUSA-N 1 1 349.475 0.720 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C#CC3CC3)C(C)(C)C2)C1 ZINC001073388992 789780378 /nfs/dbraw/zinc/78/03/78/789780378.db2.gz SSFHTISCDUWTEL-CVEARBPZSA-N 1 1 347.459 0.474 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C#CC3CC3)C(C)(C)C2)C1 ZINC001073388992 789780382 /nfs/dbraw/zinc/78/03/82/789780382.db2.gz SSFHTISCDUWTEL-CVEARBPZSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 ZINC001073418207 789810849 /nfs/dbraw/zinc/81/08/49/789810849.db2.gz RYSWQLUFISNJQS-HNNXBMFYSA-N 1 1 329.444 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)Cn4ccnc4)C3)C2)C1=O ZINC001073483706 789885895 /nfs/dbraw/zinc/88/58/95/789885895.db2.gz FJDCAOGMRITEHN-OAHLLOKOSA-N 1 1 343.431 0.204 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3nccnc3C#N)C(C)(C)C2)C1 ZINC001069552561 789894384 /nfs/dbraw/zinc/89/43/84/789894384.db2.gz BPKYWDNOHFUMTR-KBPBESRZSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3nccnc3C#N)C(C)(C)C2)C1 ZINC001069552561 789894391 /nfs/dbraw/zinc/89/43/91/789894391.db2.gz BPKYWDNOHFUMTR-KBPBESRZSA-N 1 1 344.419 0.328 20 30 ECEDMO C[N@@H+](CC(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C(C)(C)C1)C1CCC1 ZINC001069627939 789938585 /nfs/dbraw/zinc/93/85/85/789938585.db2.gz RJSWRYKXAXFUBT-CQSZACIVSA-N 1 1 342.447 0.903 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC(Nc2ccc(C#N)cn2)C1 ZINC001069719960 789987535 /nfs/dbraw/zinc/98/75/35/789987535.db2.gz YVJARPZSLJLQIU-YMAMQOFZSA-N 1 1 329.404 0.685 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC(Nc2ccc(C#N)cn2)C1 ZINC001069719960 789987540 /nfs/dbraw/zinc/98/75/40/789987540.db2.gz YVJARPZSLJLQIU-YMAMQOFZSA-N 1 1 329.404 0.685 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CC(Nc2nccnc2C#N)C1 ZINC001069787017 790033031 /nfs/dbraw/zinc/03/30/31/790033031.db2.gz MREVCWQXPLRJTF-UHFFFAOYSA-N 1 1 325.376 0.955 20 30 ECEDMO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3COCCN3C)c2C1 ZINC001069857801 790107427 /nfs/dbraw/zinc/10/74/27/790107427.db2.gz MPBUZLBVVVTRNH-KRWDZBQOSA-N 1 1 347.463 0.612 20 30 ECEDMO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3COCCN3C)c2C1 ZINC001069857801 790107432 /nfs/dbraw/zinc/10/74/32/790107432.db2.gz MPBUZLBVVVTRNH-KRWDZBQOSA-N 1 1 347.463 0.612 20 30 ECEDMO C=CCCN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864430 790120305 /nfs/dbraw/zinc/12/03/05/790120305.db2.gz PCHTZHWMGJBBSL-RHSMWYFYSA-N 1 1 347.463 0.610 20 30 ECEDMO C=CCCN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864430 790120308 /nfs/dbraw/zinc/12/03/08/790120308.db2.gz PCHTZHWMGJBBSL-RHSMWYFYSA-N 1 1 347.463 0.610 20 30 ECEDMO C#CCN1CCn2ncc(CNC(=O)c3cc(C[NH+](C)C)on3)c2C1 ZINC001069865597 790122422 /nfs/dbraw/zinc/12/24/22/790122422.db2.gz KFZNAQMEIUEAJQ-UHFFFAOYSA-N 1 1 342.403 0.312 20 30 ECEDMO CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069908566 790177027 /nfs/dbraw/zinc/17/70/27/790177027.db2.gz CSGVLOSXBUIAPB-CABCVRRESA-N 1 1 327.392 0.933 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069909892 790178918 /nfs/dbraw/zinc/17/89/18/790178918.db2.gz VGSUVGOBSVDJAW-HIFRSBDPSA-N 1 1 329.408 0.633 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069910192 790179636 /nfs/dbraw/zinc/17/96/36/790179636.db2.gz JEZFHOIRFCZJKU-MCIONIFRSA-N 1 1 333.392 0.149 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069910192 790179639 /nfs/dbraw/zinc/17/96/39/790179639.db2.gz JEZFHOIRFCZJKU-MCIONIFRSA-N 1 1 333.392 0.149 20 30 ECEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2n2ccnn2)c[nH]1 ZINC001069911791 790180853 /nfs/dbraw/zinc/18/08/53/790180853.db2.gz SMFRXKVWHQYAKJ-CVEARBPZSA-N 1 1 339.403 0.933 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069933123 790206552 /nfs/dbraw/zinc/20/65/52/790206552.db2.gz IAJMLASTQUMONA-CABCVRRESA-N 1 1 329.408 0.265 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069933123 790206554 /nfs/dbraw/zinc/20/65/54/790206554.db2.gz IAJMLASTQUMONA-CABCVRRESA-N 1 1 329.408 0.265 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069949364 790229228 /nfs/dbraw/zinc/22/92/28/790229228.db2.gz UNENBMNTCCTSDI-PMPSAXMXSA-N 1 1 348.426 0.077 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069950336 790230171 /nfs/dbraw/zinc/23/01/71/790230171.db2.gz OLNWCVXZYOJOJA-WCVJEAGWSA-N 1 1 331.420 0.458 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069950336 790230178 /nfs/dbraw/zinc/23/01/78/790230178.db2.gz OLNWCVXZYOJOJA-WCVJEAGWSA-N 1 1 331.420 0.458 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3ccnc3C2)[C@@H](n2ccnn2)C1 ZINC001069962171 790245363 /nfs/dbraw/zinc/24/53/63/790245363.db2.gz IKPLEXLSGYXPOR-ZNMIVQPWSA-N 1 1 341.419 0.265 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3ccnc3C2)[C@@H](n2ccnn2)C1 ZINC001069962171 790245370 /nfs/dbraw/zinc/24/53/70/790245370.db2.gz IKPLEXLSGYXPOR-ZNMIVQPWSA-N 1 1 341.419 0.265 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccn3nccc23)[C@@H](n2ccnn2)C1 ZINC001069969280 790257420 /nfs/dbraw/zinc/25/74/20/790257420.db2.gz LJKAVEPTFZDLFU-ZBFHGGJFSA-N 1 1 337.387 0.767 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cccn3nccc23)[C@@H](n2ccnn2)C1 ZINC001069969280 790257422 /nfs/dbraw/zinc/25/74/22/790257422.db2.gz LJKAVEPTFZDLFU-ZBFHGGJFSA-N 1 1 337.387 0.767 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001068840358 791238915 /nfs/dbraw/zinc/23/89/15/791238915.db2.gz XVNWAQVPFRCFKH-HOTGVXAUSA-N 1 1 347.459 0.618 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001068859543 791281261 /nfs/dbraw/zinc/28/12/61/791281261.db2.gz STKLMATZODLNSV-LSDHHAIUSA-N 1 1 333.432 0.084 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)[C@H]1C ZINC001068925927 791437395 /nfs/dbraw/zinc/43/73/95/791437395.db2.gz HOXNCWUDQBBBJH-TZMCWYRMSA-N 1 1 325.376 0.955 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@H+](C)CCC)CO2 ZINC001068940830 791470062 /nfs/dbraw/zinc/47/00/62/791470062.db2.gz RFCCUAGRLOVULQ-HNNXBMFYSA-N 1 1 335.448 0.618 20 30 ECEDMO N#Cc1cncc(N2CC[NH+]([C@@H]3CCN(C(=O)CC4CC4)C3)CC2)n1 ZINC001066696174 792010801 /nfs/dbraw/zinc/01/08/01/792010801.db2.gz BPUDJQFWPVVQSL-MRXNPFEDSA-N 1 1 340.431 0.871 20 30 ECEDMO CO[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066699300 792022844 /nfs/dbraw/zinc/02/28/44/792022844.db2.gz WTJLTWLZXHSHBN-YOEHRIQHSA-N 1 1 343.431 0.711 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066735943 792070210 /nfs/dbraw/zinc/07/02/10/792070210.db2.gz ARPCPUVLQWHUTK-WMLDXEAASA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)CC2)C1 ZINC001066735943 792070217 /nfs/dbraw/zinc/07/02/17/792070217.db2.gz ARPCPUVLQWHUTK-WMLDXEAASA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066750410 792096962 /nfs/dbraw/zinc/09/69/62/792096962.db2.gz PUTYURRHWFPPHP-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cccnn1 ZINC001067709454 792165374 /nfs/dbraw/zinc/16/53/74/792165374.db2.gz ZVSJQXKHQHPTES-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cccnn1 ZINC001067709454 792165382 /nfs/dbraw/zinc/16/53/82/792165382.db2.gz ZVSJQXKHQHPTES-INIZCTEOSA-N 1 1 343.431 0.495 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ncccc3C#N)C2)C1 ZINC001067852632 792371415 /nfs/dbraw/zinc/37/14/15/792371415.db2.gz IUSYRZANAKFFQE-AVVWSFFYSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC2CC(CNc3ncccc3C#N)C2)C1 ZINC001067852632 792371421 /nfs/dbraw/zinc/37/14/21/792371421.db2.gz IUSYRZANAKFFQE-AVVWSFFYSA-N 1 1 343.431 0.981 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CC(CNc3cncc(C#N)n3)C2)C1 ZINC001067856982 792381855 /nfs/dbraw/zinc/38/18/55/792381855.db2.gz VMMFOAFTHSEPCE-IYXRBSQSSA-N 1 1 328.420 0.997 20 30 ECEDMO C=CCCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001067081526 792678992 /nfs/dbraw/zinc/67/89/92/792678992.db2.gz QRBIMCLNOAKFHL-HNNXBMFYSA-N 1 1 341.452 0.217 20 30 ECEDMO C=CCCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001067081526 792678997 /nfs/dbraw/zinc/67/89/97/792678997.db2.gz QRBIMCLNOAKFHL-HNNXBMFYSA-N 1 1 341.452 0.217 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(c3cncc(C#N)n3)CC2(C)C)C1 ZINC001068113369 792693274 /nfs/dbraw/zinc/69/32/74/792693274.db2.gz IFFUVWZXMZBFOL-GXTWGEPZSA-N 1 1 328.420 0.631 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001068157756 792757720 /nfs/dbraw/zinc/75/77/20/792757720.db2.gz LJBHZOCVWDZURU-XQLPTFJDSA-N 1 1 326.404 0.241 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3cncc(C#N)n3)CC2)C1 ZINC001067247753 792884240 /nfs/dbraw/zinc/88/42/40/792884240.db2.gz QMJBLBDEDQZWJH-CQSZACIVSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3cncc(C#N)n3)CC2)C1 ZINC001067247753 792884249 /nfs/dbraw/zinc/88/42/49/792884249.db2.gz QMJBLBDEDQZWJH-CQSZACIVSA-N 1 1 344.419 0.472 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1C ZINC001067400816 793101490 /nfs/dbraw/zinc/10/14/90/793101490.db2.gz GNIICZUBBCJDFO-DOMZBBRYSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001068356901 793118741 /nfs/dbraw/zinc/11/87/41/793118741.db2.gz JVKOVKGOMFZRHQ-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001067420887 793128989 /nfs/dbraw/zinc/12/89/89/793128989.db2.gz PNTCDSHCDGIZHB-JSGCOSHPSA-N 1 1 339.403 0.884 20 30 ECEDMO C=CCn1cc(C(=O)N(C)CCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001067457994 793190766 /nfs/dbraw/zinc/19/07/66/793190766.db2.gz AWNCZHUPZQVXEL-AWEZNQCLSA-N 1 1 348.451 0.336 20 30 ECEDMO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001068394658 793200468 /nfs/dbraw/zinc/20/04/68/793200468.db2.gz BIYDLYJDZDDJKX-INIZCTEOSA-N 1 1 347.459 0.427 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C#CC(C)(C)C)CCO2 ZINC001068395568 793203881 /nfs/dbraw/zinc/20/38/81/793203881.db2.gz GEVRXOJIUOAESX-OAHLLOKOSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)CCO2 ZINC001068408979 793249699 /nfs/dbraw/zinc/24/96/99/793249699.db2.gz PFMVWJWMAUKDEC-ZIAGYGMSSA-N 1 1 344.415 0.919 20 30 ECEDMO CC#CCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001068433524 793308281 /nfs/dbraw/zinc/30/82/81/793308281.db2.gz SJPRGWIWCRUTLL-INIZCTEOSA-N 1 1 347.459 0.714 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001068452027 793334696 /nfs/dbraw/zinc/33/46/96/793334696.db2.gz WXPVWOCGJMXIJP-CQSZACIVSA-N 1 1 336.436 0.318 20 30 ECEDMO C#CCOCCC(=O)N(CCC)[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001267459814 837447442 /nfs/dbraw/zinc/44/74/42/837447442.db2.gz NNXNQMOCCFYVKS-HOTGVXAUSA-N 1 1 337.464 0.816 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCNS(C)(=O)=O)C1 ZINC001267466978 837473383 /nfs/dbraw/zinc/47/33/83/837473383.db2.gz UPJWAICVURCWRQ-CQSZACIVSA-N 1 1 329.466 0.262 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001267486318 837548283 /nfs/dbraw/zinc/54/82/83/837548283.db2.gz BJKDTAMJXSVPDB-CQSZACIVSA-N 1 1 347.463 0.861 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2nc3ncccn3n2)C1 ZINC001267495168 837564595 /nfs/dbraw/zinc/56/45/95/837564595.db2.gz BAHVHXMZDCLVEP-CQSZACIVSA-N 1 1 326.404 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2nc3ncccn3n2)C1 ZINC001267495168 837564601 /nfs/dbraw/zinc/56/46/01/837564601.db2.gz BAHVHXMZDCLVEP-CQSZACIVSA-N 1 1 326.404 0.613 20 30 ECEDMO Cc1cn(C)nc1C(=O)NCCC[N@@H+](CC(=O)NCC#N)C(C)C ZINC001267500687 837576129 /nfs/dbraw/zinc/57/61/29/837576129.db2.gz CIVXNGZPZOXFQV-UHFFFAOYSA-N 1 1 334.424 0.199 20 30 ECEDMO CC(C)[N@@H+](CCCNC(=O)c1ccc(C#N)[nH]1)Cc1nc(=O)n(C)[nH]1 ZINC001267501171 837577153 /nfs/dbraw/zinc/57/71/53/837577153.db2.gz MLWUXBSDBSIMFN-UHFFFAOYSA-N 1 1 345.407 0.339 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ncnn2CC)C1 ZINC001267523727 837683129 /nfs/dbraw/zinc/68/31/29/837683129.db2.gz LPEFAPOZLQXLSF-YOEHRIQHSA-N 1 1 335.452 0.953 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[C@H]1CC[N@H+](Cc2ncnn2CC)C1 ZINC001267523727 837683133 /nfs/dbraw/zinc/68/31/33/837683133.db2.gz LPEFAPOZLQXLSF-YOEHRIQHSA-N 1 1 335.452 0.953 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001267536515 837717191 /nfs/dbraw/zinc/71/71/91/837717191.db2.gz UUOFPHVCMKIGGD-OLZOCXBDSA-N 1 1 342.390 0.890 20 30 ECEDMO COCc1ccc(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)o1 ZINC001267543543 837730585 /nfs/dbraw/zinc/73/05/85/837730585.db2.gz DUPAJZWXYRUSMD-CYBMUJFWSA-N 1 1 348.403 0.508 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001267553251 837757296 /nfs/dbraw/zinc/75/72/96/837757296.db2.gz CTTRILUKWXKSSX-FZMZJTMJSA-N 1 1 343.387 0.133 20 30 ECEDMO N#Cc1ccc(C(=O)NCC[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001267553253 837756044 /nfs/dbraw/zinc/75/60/44/837756044.db2.gz CTTRILUKWXKSSX-SMDDNHRTSA-N 1 1 343.387 0.133 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001267554745 837760655 /nfs/dbraw/zinc/76/06/55/837760655.db2.gz BMMLHSDUAVRCCR-HUUCEWRRSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CCNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001267569671 837798579 /nfs/dbraw/zinc/79/85/79/837798579.db2.gz YZEPSARCFWNWKD-HUUCEWRRSA-N 1 1 331.420 0.390 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001267572893 837811243 /nfs/dbraw/zinc/81/12/43/837811243.db2.gz ANLUBIAXARKHKD-DLBZAZTESA-N 1 1 337.464 0.137 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)c2ccnc3n[nH]nc32)CC1 ZINC001267573777 837817034 /nfs/dbraw/zinc/81/70/34/837817034.db2.gz YBHCYSIOHRGOTG-UHFFFAOYSA-N 1 1 341.419 0.066 20 30 ECEDMO CCO[C@H]1C[C@H]1C(=O)N(C)CC[NH+]1CCN(CC#CCOC)CC1 ZINC001267574256 837821304 /nfs/dbraw/zinc/82/13/04/837821304.db2.gz ZWCJTAIXCWUWBA-SJORKVTESA-N 1 1 337.464 0.137 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001266243928 835549950 /nfs/dbraw/zinc/54/99/50/835549950.db2.gz FPECRZGFKXIEAF-CQSZACIVSA-N 1 1 336.436 0.817 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)[C@@]23CCO[C@@H]2CCCC3)CC1 ZINC001266267012 835583561 /nfs/dbraw/zinc/58/35/61/835583561.db2.gz LBTYLDZUSWHQKU-AEFFLSMTSA-N 1 1 334.464 0.983 20 30 ECEDMO C=C(C)CN1CC[NH+](CCCNC(=O)c2cn(C)nc2OC)CC1 ZINC001266269308 835587869 /nfs/dbraw/zinc/58/78/69/835587869.db2.gz DLLITKPXPTWQTL-UHFFFAOYSA-N 1 1 335.452 0.742 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)C[C@@H]1CCCS(=O)(=O)C1 ZINC001266271625 835592685 /nfs/dbraw/zinc/59/26/85/835592685.db2.gz LSEBAKPPSDNWGD-DZGCQCFKSA-N 1 1 332.466 0.186 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)C[C@@H]1CCCS(=O)(=O)C1 ZINC001266271625 835592690 /nfs/dbraw/zinc/59/26/90/835592690.db2.gz LSEBAKPPSDNWGD-DZGCQCFKSA-N 1 1 332.466 0.186 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001266275423 835599032 /nfs/dbraw/zinc/59/90/32/835599032.db2.gz YMSSITUCDCCLSG-VNQPRFMTSA-N 1 1 328.416 0.371 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001266275423 835599034 /nfs/dbraw/zinc/59/90/34/835599034.db2.gz YMSSITUCDCCLSG-VNQPRFMTSA-N 1 1 328.416 0.371 20 30 ECEDMO CC(=O)N[C@](C)(C(=O)NCCC[NH+]1CCN(CC#N)CC1)C(C)C ZINC001266277656 835602749 /nfs/dbraw/zinc/60/27/49/835602749.db2.gz LCQOCGHGUXAYJW-KRWDZBQOSA-N 1 1 337.468 0.185 20 30 ECEDMO CC#CC[NH+]1CCN(CCNC(=O)Cc2cnn3c2CCCC3)CC1 ZINC001266285628 835620046 /nfs/dbraw/zinc/62/00/46/835620046.db2.gz GUELASLOQGVFFH-UHFFFAOYSA-N 1 1 343.475 0.519 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc2cnccc2o1 ZINC001266293353 835638468 /nfs/dbraw/zinc/63/84/68/835638468.db2.gz UIMUWBAQVLJSHI-GFCCVEGCSA-N 1 1 328.372 0.627 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc2cnccc2o1 ZINC001266293353 835638472 /nfs/dbraw/zinc/63/84/72/835638472.db2.gz UIMUWBAQVLJSHI-GFCCVEGCSA-N 1 1 328.372 0.627 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC001266307587 835671752 /nfs/dbraw/zinc/67/17/52/835671752.db2.gz GWZHCPSDMSNVTC-AWEZNQCLSA-N 1 1 345.403 0.968 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC001266307587 835671756 /nfs/dbraw/zinc/67/17/56/835671756.db2.gz GWZHCPSDMSNVTC-AWEZNQCLSA-N 1 1 345.403 0.968 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CC[N@@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC001266307908 835671998 /nfs/dbraw/zinc/67/19/98/835671998.db2.gz MQYORJWLXBPOPM-ZDUSSCGKSA-N 1 1 336.440 0.364 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CC[N@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC001266307908 835672002 /nfs/dbraw/zinc/67/20/02/835672002.db2.gz MQYORJWLXBPOPM-ZDUSSCGKSA-N 1 1 336.440 0.364 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2cccnc21 ZINC001266313279 835681062 /nfs/dbraw/zinc/68/10/62/835681062.db2.gz IJLXDOVTUGPPPN-ZFWWWQNUSA-N 1 1 328.416 0.297 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2cccnc21 ZINC001266313279 835681067 /nfs/dbraw/zinc/68/10/67/835681067.db2.gz IJLXDOVTUGPPPN-ZFWWWQNUSA-N 1 1 328.416 0.297 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001266318959 835687119 /nfs/dbraw/zinc/68/71/19/835687119.db2.gz FBCFRGLTRDOTFI-MRXNPFEDSA-N 1 1 345.447 0.354 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001266318959 835687120 /nfs/dbraw/zinc/68/71/20/835687120.db2.gz FBCFRGLTRDOTFI-MRXNPFEDSA-N 1 1 345.447 0.354 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001266332957 835714431 /nfs/dbraw/zinc/71/44/31/835714431.db2.gz DMNPQVVUEQMPNB-ZDUSSCGKSA-N 1 1 332.404 0.510 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001266332957 835714439 /nfs/dbraw/zinc/71/44/39/835714439.db2.gz DMNPQVVUEQMPNB-ZDUSSCGKSA-N 1 1 332.404 0.510 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](C)CCn2nc(C)nc2C)nc1 ZINC001266350850 835747780 /nfs/dbraw/zinc/74/77/80/835747780.db2.gz UMUVMXZIHSBALY-UHFFFAOYSA-N 1 1 326.404 0.633 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001266355710 835759473 /nfs/dbraw/zinc/75/94/73/835759473.db2.gz MRZHVRXPZHPCPP-VXGBXAGGSA-N 1 1 329.391 0.996 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001266355710 835759476 /nfs/dbraw/zinc/75/94/76/835759476.db2.gz MRZHVRXPZHPCPP-VXGBXAGGSA-N 1 1 329.391 0.996 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001266356293 835760237 /nfs/dbraw/zinc/76/02/37/835760237.db2.gz SLYVTACDYXGTAV-HUUCEWRRSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001266356293 835760248 /nfs/dbraw/zinc/76/02/48/835760248.db2.gz SLYVTACDYXGTAV-HUUCEWRRSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cc1ccccc1C ZINC001266358492 835764592 /nfs/dbraw/zinc/76/45/92/835764592.db2.gz SWWCWPUDRZDFOT-UHFFFAOYSA-N 1 1 346.431 0.597 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cc1ccccc1C ZINC001266358492 835764596 /nfs/dbraw/zinc/76/45/96/835764596.db2.gz SWWCWPUDRZDFOT-UHFFFAOYSA-N 1 1 346.431 0.597 20 30 ECEDMO Cc1nc(C(=O)N[C@@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)co1 ZINC001266370770 835783159 /nfs/dbraw/zinc/78/31/59/835783159.db2.gz LEILLIUPVDDTLI-CYBMUJFWSA-N 1 1 331.376 0.207 20 30 ECEDMO C#CCNC(=O)CN1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001266379336 835790258 /nfs/dbraw/zinc/79/02/58/835790258.db2.gz FRGOQWOCRYDCNP-CVEARBPZSA-N 1 1 346.475 0.048 20 30 ECEDMO C#CCNC(=O)CN1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001266379336 835790268 /nfs/dbraw/zinc/79/02/68/835790268.db2.gz FRGOQWOCRYDCNP-CVEARBPZSA-N 1 1 346.475 0.048 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ccc(F)c(F)c1F)CC(=O)NCC#N ZINC001266414010 835819342 /nfs/dbraw/zinc/81/93/42/835819342.db2.gz XOKCGLBHZYDHCA-UHFFFAOYSA-N 1 1 342.321 0.795 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ccc(F)c(F)c1F)CC(=O)NCC#N ZINC001266414010 835819349 /nfs/dbraw/zinc/81/93/49/835819349.db2.gz XOKCGLBHZYDHCA-UHFFFAOYSA-N 1 1 342.321 0.795 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ccc(C(C)C)cn1)CC(=O)NCC#N ZINC001266418070 835823829 /nfs/dbraw/zinc/82/38/29/835823829.db2.gz OAPURBHMVNBEOW-UHFFFAOYSA-N 1 1 331.420 0.896 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ccc(C(C)C)cn1)CC(=O)NCC#N ZINC001266418070 835823835 /nfs/dbraw/zinc/82/38/35/835823835.db2.gz OAPURBHMVNBEOW-UHFFFAOYSA-N 1 1 331.420 0.896 20 30 ECEDMO CCn1nc(C)c(C(=O)NCC[N@H+](CC)CC(=O)NCC#N)c1C ZINC001266423050 835828443 /nfs/dbraw/zinc/82/84/43/835828443.db2.gz ZWVMTRDRMZOAPU-UHFFFAOYSA-N 1 1 334.424 0.211 20 30 ECEDMO CCn1nc(C)c(C(=O)NCC[N@@H+](CC)CC(=O)NCC#N)c1C ZINC001266423050 835828446 /nfs/dbraw/zinc/82/84/46/835828446.db2.gz ZWVMTRDRMZOAPU-UHFFFAOYSA-N 1 1 334.424 0.211 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001266429158 835834173 /nfs/dbraw/zinc/83/41/73/835834173.db2.gz ZMGVEDWSSWJLAZ-KGLIPLIRSA-N 1 1 345.447 0.091 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001266429158 835834176 /nfs/dbraw/zinc/83/41/76/835834176.db2.gz ZMGVEDWSSWJLAZ-KGLIPLIRSA-N 1 1 345.447 0.091 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1ncc2n1CCCC2 ZINC001266437515 835841274 /nfs/dbraw/zinc/84/12/74/835841274.db2.gz BRQRSBFZQFZOBV-AWEZNQCLSA-N 1 1 345.447 0.409 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1ncc2n1CCCC2 ZINC001266437515 835841280 /nfs/dbraw/zinc/84/12/80/835841280.db2.gz BRQRSBFZQFZOBV-AWEZNQCLSA-N 1 1 345.447 0.409 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)COC(C)C)C1 ZINC001266452602 835856154 /nfs/dbraw/zinc/85/61/54/835856154.db2.gz PTMXZASLGFNQJK-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cscn2)C1 ZINC001266452936 835856442 /nfs/dbraw/zinc/85/64/42/835856442.db2.gz UHIINVSTGHSEFW-ZDUSSCGKSA-N 1 1 334.445 0.677 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 ZINC001266452755 835856718 /nfs/dbraw/zinc/85/67/18/835856718.db2.gz QPXCSUDLNVPRMZ-INIZCTEOSA-N 1 1 332.448 0.783 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001266457885 835860918 /nfs/dbraw/zinc/86/09/18/835860918.db2.gz OEEJBFGXDJNAED-JSGCOSHPSA-N 1 1 332.379 0.553 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001266457885 835860926 /nfs/dbraw/zinc/86/09/26/835860926.db2.gz OEEJBFGXDJNAED-JSGCOSHPSA-N 1 1 332.379 0.553 20 30 ECEDMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001266461180 835863633 /nfs/dbraw/zinc/86/36/33/835863633.db2.gz LDTZHXYAIFWZGQ-AWEZNQCLSA-N 1 1 343.493 0.556 20 30 ECEDMO CCS(=O)(=O)NCC[N@H+]1CCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001266461180 835863640 /nfs/dbraw/zinc/86/36/40/835863640.db2.gz LDTZHXYAIFWZGQ-AWEZNQCLSA-N 1 1 343.493 0.556 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001266472057 835876119 /nfs/dbraw/zinc/87/61/19/835876119.db2.gz BMBQZROZTNOSLJ-CQSZACIVSA-N 1 1 334.420 0.074 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cn1nccc1C ZINC001266482429 835881532 /nfs/dbraw/zinc/88/15/32/835881532.db2.gz BKMFOWKBLZYMKO-CABCVRRESA-N 1 1 333.436 0.463 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cn1nccc1C ZINC001266482429 835881539 /nfs/dbraw/zinc/88/15/39/835881539.db2.gz BKMFOWKBLZYMKO-CABCVRRESA-N 1 1 333.436 0.463 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)Cn2nccc2C)C1=O ZINC001266483260 835882374 /nfs/dbraw/zinc/88/23/74/835882374.db2.gz RPPQPHAEPTUVAZ-HZPDHXFCSA-N 1 1 345.447 0.559 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)nc1OC ZINC001266485508 835884726 /nfs/dbraw/zinc/88/47/26/835884726.db2.gz DCHTXROKWZCEDM-CQSZACIVSA-N 1 1 346.431 0.895 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)nc1OC ZINC001266485508 835884731 /nfs/dbraw/zinc/88/47/31/835884731.db2.gz DCHTXROKWZCEDM-CQSZACIVSA-N 1 1 346.431 0.895 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001266492506 835893278 /nfs/dbraw/zinc/89/32/78/835893278.db2.gz QJFXZCNLPMIJMO-CHWSQXEVSA-N 1 1 349.410 0.200 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001266492506 835893283 /nfs/dbraw/zinc/89/32/83/835893283.db2.gz QJFXZCNLPMIJMO-CHWSQXEVSA-N 1 1 349.410 0.200 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)COCC=C)C2)CC1 ZINC001266504792 835905844 /nfs/dbraw/zinc/90/58/44/835905844.db2.gz SJIUBTUERULKAR-KRWDZBQOSA-N 1 1 347.459 0.595 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001266507628 835910925 /nfs/dbraw/zinc/91/09/25/835910925.db2.gz AEUPVZCUYUZQHE-CHWSQXEVSA-N 1 1 327.388 0.076 20 30 ECEDMO CC(C)(C)C#CC(=O)NC[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001266513769 835924332 /nfs/dbraw/zinc/92/43/32/835924332.db2.gz GNKAUUFMAUOKNZ-HUUCEWRRSA-N 1 1 340.489 0.909 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001266517447 835928563 /nfs/dbraw/zinc/92/85/63/835928563.db2.gz JTUHBCJVTCEYDN-ZIAGYGMSSA-N 1 1 337.420 0.165 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC001266524960 835939819 /nfs/dbraw/zinc/93/98/19/835939819.db2.gz AXENBORPVXBFBW-ZIAGYGMSSA-N 1 1 346.431 0.833 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N[C@H](C)CC)C2)nn1 ZINC001266537252 835955387 /nfs/dbraw/zinc/95/53/87/835955387.db2.gz HHJMHLKDODATII-KGLIPLIRSA-N 1 1 348.451 0.431 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2cnn(C)c2)C1 ZINC001266540066 835961372 /nfs/dbraw/zinc/96/13/72/835961372.db2.gz NYNKGYFREJRTPX-JKSUJKDBSA-N 1 1 332.448 0.687 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(CCC)on2)C1 ZINC001266540062 835961672 /nfs/dbraw/zinc/96/16/72/835961672.db2.gz NYHOWPLCOVCUHX-ZDUSSCGKSA-N 1 1 334.420 0.981 20 30 ECEDMO CNC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+](CC#CCOC)C2)n1 ZINC001266545241 835966909 /nfs/dbraw/zinc/96/69/09/835966909.db2.gz OFWZQLTZTJZINW-AWEZNQCLSA-N 1 1 344.415 0.143 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001266575170 836004280 /nfs/dbraw/zinc/00/42/80/836004280.db2.gz FLRAERMJDUVBBE-GOSISDBHSA-N 1 1 337.464 0.723 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1ccc2nc[nH]c2n1)C1CC1 ZINC001266596823 836028944 /nfs/dbraw/zinc/02/89/44/836028944.db2.gz PATCXVFNNUNVHF-UHFFFAOYSA-N 1 1 342.403 0.454 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1ccc2nc[nH]c2n1)C1CC1 ZINC001266596823 836028948 /nfs/dbraw/zinc/02/89/48/836028948.db2.gz PATCXVFNNUNVHF-UHFFFAOYSA-N 1 1 342.403 0.454 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1cc(Cl)n(C)n1)C1CC1 ZINC001266599948 836033403 /nfs/dbraw/zinc/03/34/03/836033403.db2.gz CXXUCOYAVGPRBQ-UHFFFAOYSA-N 1 1 339.827 0.570 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1cc(Cl)n(C)n1)C1CC1 ZINC001266599948 836033415 /nfs/dbraw/zinc/03/34/15/836033415.db2.gz CXXUCOYAVGPRBQ-UHFFFAOYSA-N 1 1 339.827 0.570 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)CC(C)(C)C)C1 ZINC001279462544 836054391 /nfs/dbraw/zinc/05/43/91/836054391.db2.gz REFQSIUGUCRSDX-RDTXWAMCSA-N 1 1 337.464 0.504 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)CC(C)(C)C)C1 ZINC001279462544 836054402 /nfs/dbraw/zinc/05/44/02/836054402.db2.gz REFQSIUGUCRSDX-RDTXWAMCSA-N 1 1 337.464 0.504 20 30 ECEDMO C#CCOCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(C)n1 ZINC001266648134 836083047 /nfs/dbraw/zinc/08/30/47/836083047.db2.gz NVFAXWUKJKKDBY-VHRNVKJDSA-N 1 1 331.420 0.467 20 30 ECEDMO C#CCOCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(C)n1 ZINC001266648134 836083052 /nfs/dbraw/zinc/08/30/52/836083052.db2.gz NVFAXWUKJKKDBY-VHRNVKJDSA-N 1 1 331.420 0.467 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(C)CC[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001266686545 836141403 /nfs/dbraw/zinc/14/14/03/836141403.db2.gz GOJMONDZMARLCN-INIZCTEOSA-N 1 1 346.391 0.402 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001266747001 836233570 /nfs/dbraw/zinc/23/35/70/836233570.db2.gz LHQQTYZDDATAGJ-LBPRGKRZSA-N 1 1 333.367 0.302 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001266747001 836233574 /nfs/dbraw/zinc/23/35/74/836233574.db2.gz LHQQTYZDDATAGJ-LBPRGKRZSA-N 1 1 333.367 0.302 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC001266749571 836239374 /nfs/dbraw/zinc/23/93/74/836239374.db2.gz JNLFVXMGBBQWEZ-HOTGVXAUSA-N 1 1 332.448 0.829 20 30 ECEDMO CCc1cccnc1C(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266755761 836251581 /nfs/dbraw/zinc/25/15/81/836251581.db2.gz UPPYMCMKFAWLOZ-CQSZACIVSA-N 1 1 343.431 0.726 20 30 ECEDMO CCc1cccnc1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266755761 836251592 /nfs/dbraw/zinc/25/15/92/836251592.db2.gz UPPYMCMKFAWLOZ-CQSZACIVSA-N 1 1 343.431 0.726 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](NC(C)=O)C(C)C)C1 ZINC001266767438 836274355 /nfs/dbraw/zinc/27/43/55/836274355.db2.gz NNYLNEFQCXBLCF-IAGOWNOFSA-N 1 1 337.464 0.625 20 30 ECEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1nc2ccccn2c1=O ZINC001266850135 836380322 /nfs/dbraw/zinc/38/03/22/836380322.db2.gz VGIAXJDZFLKFEC-CQSZACIVSA-N 1 1 327.388 0.100 20 30 ECEDMO C[C@H](NC(=O)c1ccc(=O)[nH]c1)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266896697 836447465 /nfs/dbraw/zinc/44/74/65/836447465.db2.gz FWQRNZPGCJGHFL-GXTWGEPZSA-N 1 1 345.403 0.257 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001266904783 836462260 /nfs/dbraw/zinc/46/22/60/836462260.db2.gz KCKGUTNSZAVOQN-LVNYTYFRSA-N 1 1 330.432 0.499 20 30 ECEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001266904783 836462262 /nfs/dbraw/zinc/46/22/62/836462262.db2.gz KCKGUTNSZAVOQN-LVNYTYFRSA-N 1 1 330.432 0.499 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CCOCC2 ZINC001266906130 836463947 /nfs/dbraw/zinc/46/39/47/836463947.db2.gz WHRIUIREPZGQLE-ARKGTOAJSA-N 1 1 347.459 0.540 20 30 ECEDMO C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001266914364 836472462 /nfs/dbraw/zinc/47/24/62/836472462.db2.gz HXRCQXQREJKIFT-NFOMZHRRSA-N 1 1 345.447 0.355 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1noc2c1COCC2 ZINC001266975346 836545989 /nfs/dbraw/zinc/54/59/89/836545989.db2.gz YOQSPZXDXHZUDM-ZOWXZIJZSA-N 1 1 335.404 0.933 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001267099626 836768839 /nfs/dbraw/zinc/76/88/39/836768839.db2.gz BRLZLHXLLRSNMT-GJZGRUSLSA-N 1 1 348.451 0.282 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001267102861 836777148 /nfs/dbraw/zinc/77/71/48/836777148.db2.gz OLHSTHMUSCCFHC-XJKSGUPXSA-N 1 1 341.415 0.561 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2nnc(C)o2)C1 ZINC001267106024 836786192 /nfs/dbraw/zinc/78/61/92/836786192.db2.gz NZIIEQCSEWAVRJ-GXTWGEPZSA-N 1 1 349.435 0.534 20 30 ECEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](NC(=O)COC)C(C)C)C1 ZINC001267112665 836802182 /nfs/dbraw/zinc/80/21/82/836802182.db2.gz VCFVPHBYBLIBLG-WBVHZDCISA-N 1 1 337.464 0.720 20 30 ECEDMO COCCC[C@H](C)C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001267113453 836803804 /nfs/dbraw/zinc/80/38/04/836803804.db2.gz LKEGIGSHNBYENS-LSDHHAIUSA-N 1 1 338.452 0.612 20 30 ECEDMO COCCC[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001267113453 836803817 /nfs/dbraw/zinc/80/38/17/836803817.db2.gz LKEGIGSHNBYENS-LSDHHAIUSA-N 1 1 338.452 0.612 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001267195673 836960873 /nfs/dbraw/zinc/96/08/73/836960873.db2.gz JRFGKPARHLPLPE-CHWSQXEVSA-N 1 1 333.436 0.568 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001267195673 836960883 /nfs/dbraw/zinc/96/08/83/836960883.db2.gz JRFGKPARHLPLPE-CHWSQXEVSA-N 1 1 333.436 0.568 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnn(C(C)(C)C)c1 ZINC001267204653 836982824 /nfs/dbraw/zinc/98/28/24/836982824.db2.gz ILZXWZNGYDYVAJ-ZDUSSCGKSA-N 1 1 335.452 0.990 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnn(C(C)(C)C)c1 ZINC001267204653 836982832 /nfs/dbraw/zinc/98/28/32/836982832.db2.gz ILZXWZNGYDYVAJ-ZDUSSCGKSA-N 1 1 335.452 0.990 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccnnc1 ZINC001267218761 837009331 /nfs/dbraw/zinc/00/93/31/837009331.db2.gz DVMCBUDTSHQEFF-AWEZNQCLSA-N 1 1 333.436 0.951 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccnnc1 ZINC001267218761 837009339 /nfs/dbraw/zinc/00/93/39/837009339.db2.gz DVMCBUDTSHQEFF-AWEZNQCLSA-N 1 1 333.436 0.951 20 30 ECEDMO COc1ccc(C[N@H+](C)CCNC(=O)C(=O)NCC2CC2)cc1C#N ZINC001267224881 837019935 /nfs/dbraw/zinc/01/99/35/837019935.db2.gz MMQAWJJVGUEJMA-UHFFFAOYSA-N 1 1 344.415 0.641 20 30 ECEDMO COc1ccc(C[N@@H+](C)CCNC(=O)C(=O)NCC2CC2)cc1C#N ZINC001267224881 837019945 /nfs/dbraw/zinc/01/99/45/837019945.db2.gz MMQAWJJVGUEJMA-UHFFFAOYSA-N 1 1 344.415 0.641 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc(N(C)C)cc1 ZINC001267227223 837028355 /nfs/dbraw/zinc/02/83/55/837028355.db2.gz ICNXLMIZBMTDMJ-AWEZNQCLSA-N 1 1 330.432 0.552 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(N(C)C)cc1 ZINC001267227223 837028365 /nfs/dbraw/zinc/02/83/65/837028365.db2.gz ICNXLMIZBMTDMJ-AWEZNQCLSA-N 1 1 330.432 0.552 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)CN(C)c2ccccc2)C1=O ZINC001267233485 837039967 /nfs/dbraw/zinc/03/99/67/837039967.db2.gz PJAHZIPWEUZPPK-KRWDZBQOSA-N 1 1 344.459 0.958 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)CN(C)c2ccccc2)C1=O ZINC001267233485 837039974 /nfs/dbraw/zinc/03/99/74/837039974.db2.gz PJAHZIPWEUZPPK-KRWDZBQOSA-N 1 1 344.459 0.958 20 30 ECEDMO CC[N@H+](CCNC(=O)CSCC#N)CC(=O)N1CCC[C@H](C)C1 ZINC001267236971 837044412 /nfs/dbraw/zinc/04/44/12/837044412.db2.gz VVUNXZJRUADZRP-AWEZNQCLSA-N 1 1 340.493 0.940 20 30 ECEDMO CC[N@@H+](CCNC(=O)CSCC#N)CC(=O)N1CCC[C@H](C)C1 ZINC001267236971 837044426 /nfs/dbraw/zinc/04/44/26/837044426.db2.gz VVUNXZJRUADZRP-AWEZNQCLSA-N 1 1 340.493 0.940 20 30 ECEDMO CC[N@H+](CC#CCOC)CCNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001267245462 837059042 /nfs/dbraw/zinc/05/90/42/837059042.db2.gz LUJZABWIGFFJFB-UHFFFAOYSA-N 1 1 346.387 0.114 20 30 ECEDMO CC[N@H+](CCNC(=O)Cc1ccc(F)c(F)c1)CC(=O)NCC#N ZINC001267248971 837066739 /nfs/dbraw/zinc/06/67/39/837066739.db2.gz LPSQUBBDJSLNDL-UHFFFAOYSA-N 1 1 338.358 0.585 20 30 ECEDMO CC[N@@H+](CCNC(=O)Cc1ccc(F)c(F)c1)CC(=O)NCC#N ZINC001267248971 837066745 /nfs/dbraw/zinc/06/67/45/837066745.db2.gz LPSQUBBDJSLNDL-UHFFFAOYSA-N 1 1 338.358 0.585 20 30 ECEDMO CC[N@H+](CCNC(=O)C1(c2cc(C)no2)CC1)CC(=O)NCC#N ZINC001267249881 837068040 /nfs/dbraw/zinc/06/80/40/837068040.db2.gz YYWLORLRTAQZRE-UHFFFAOYSA-N 1 1 333.392 0.093 20 30 ECEDMO CC[N@@H+](CCNC(=O)C1(c2cc(C)no2)CC1)CC(=O)NCC#N ZINC001267249881 837068051 /nfs/dbraw/zinc/06/80/51/837068051.db2.gz YYWLORLRTAQZRE-UHFFFAOYSA-N 1 1 333.392 0.093 20 30 ECEDMO C#Cc1ccc(C(=O)NC2(CNC(=O)Cn3cc[nH+]c3C)CC2)nc1 ZINC001299165361 837097980 /nfs/dbraw/zinc/09/79/80/837097980.db2.gz ANPGNPADSMXOMA-UHFFFAOYSA-N 1 1 337.383 0.647 20 30 ECEDMO C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001267268940 837107306 /nfs/dbraw/zinc/10/73/06/837107306.db2.gz IIKRHIXOCCDWGR-HZPDHXFCSA-N 1 1 336.480 0.744 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001267270456 837110549 /nfs/dbraw/zinc/11/05/49/837110549.db2.gz JHJJOJANTIBCLA-GJZGRUSLSA-N 1 1 345.447 0.328 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001267270456 837110556 /nfs/dbraw/zinc/11/05/56/837110556.db2.gz JHJJOJANTIBCLA-GJZGRUSLSA-N 1 1 345.447 0.328 20 30 ECEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC001267272316 837113875 /nfs/dbraw/zinc/11/38/75/837113875.db2.gz LWDUWZMOXLXAGE-CABCVRRESA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001267279940 837128080 /nfs/dbraw/zinc/12/80/80/837128080.db2.gz ODUIMWOFZGRTGF-GFCCVEGCSA-N 1 1 327.375 0.752 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001267279940 837128084 /nfs/dbraw/zinc/12/80/84/837128084.db2.gz ODUIMWOFZGRTGF-GFCCVEGCSA-N 1 1 327.375 0.752 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CN(C)C1=O ZINC001267281972 837130728 /nfs/dbraw/zinc/13/07/28/837130728.db2.gz NIEWLECCKNBLOO-NSHDSACASA-N 1 1 328.800 0.214 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CN(C)C1=O ZINC001267281972 837130729 /nfs/dbraw/zinc/13/07/29/837130729.db2.gz NIEWLECCKNBLOO-NSHDSACASA-N 1 1 328.800 0.214 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC001267291102 837142595 /nfs/dbraw/zinc/14/25/95/837142595.db2.gz ZGWYFPWKKJUSNZ-OLZOCXBDSA-N 1 1 334.395 0.963 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](CCOCCOC)C2)c1 ZINC001267302248 837166659 /nfs/dbraw/zinc/16/66/59/837166659.db2.gz NYAIGIDPWBJREX-INIZCTEOSA-N 1 1 331.416 0.778 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cn(C(C)C)nc2C)C1 ZINC001267306642 837178218 /nfs/dbraw/zinc/17/82/18/837178218.db2.gz JEKKLINMDVZLKD-HNNXBMFYSA-N 1 1 345.447 0.574 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC001267310552 837186429 /nfs/dbraw/zinc/18/64/29/837186429.db2.gz XWNKVRBUHPRUFF-ZDUSSCGKSA-N 1 1 329.466 0.166 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)c1cccc(=O)[nH]1 ZINC001267312409 837188267 /nfs/dbraw/zinc/18/82/67/837188267.db2.gz ZQPOTQVVGKAVKV-CYBMUJFWSA-N 1 1 332.404 0.367 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001267315681 837190943 /nfs/dbraw/zinc/19/09/43/837190943.db2.gz ROTWVPDSKFEMFS-INIZCTEOSA-N 1 1 332.448 0.924 20 30 ECEDMO CCC[N@H+](CCNC(=O)c1cnn(C(C)(C)C)c1)CC(=O)NCC#N ZINC001267314762 837191173 /nfs/dbraw/zinc/19/11/73/837191173.db2.gz COCNVPVPOKTHKR-UHFFFAOYSA-N 1 1 348.451 0.720 20 30 ECEDMO CCC[N@@H+](CCNC(=O)c1cnn(C(C)(C)C)c1)CC(=O)NCC#N ZINC001267314762 837191175 /nfs/dbraw/zinc/19/11/75/837191175.db2.gz COCNVPVPOKTHKR-UHFFFAOYSA-N 1 1 348.451 0.720 20 30 ECEDMO C#CCNC(=O)C[N@H+](CCC)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001267315260 837192366 /nfs/dbraw/zinc/19/23/66/837192366.db2.gz HNMDBEIJTUNBBD-HNNXBMFYSA-N 1 1 345.447 0.023 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001267315260 837192370 /nfs/dbraw/zinc/19/23/70/837192370.db2.gz HNMDBEIJTUNBBD-HNNXBMFYSA-N 1 1 345.447 0.023 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCC)CCNC(=O)c2ccncn2)C1=O ZINC001267317845 837194109 /nfs/dbraw/zinc/19/41/09/837194109.db2.gz ATHLCEQFBCISLY-OAHLLOKOSA-N 1 1 331.420 0.705 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[N@H+](CC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC001267325473 837203602 /nfs/dbraw/zinc/20/36/02/837203602.db2.gz IDXQCEJTOGYHCG-INIZCTEOSA-N 1 1 349.475 0.912 20 30 ECEDMO CC(C)(C)C#CC(=O)NCC[N@@H+](CC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC001267325473 837203611 /nfs/dbraw/zinc/20/36/11/837203611.db2.gz IDXQCEJTOGYHCG-INIZCTEOSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCNC(=O)c2cc(OC)no2)C2CC2)C1=O ZINC001267325706 837204168 /nfs/dbraw/zinc/20/41/68/837204168.db2.gz JJIASPGNGUYGIT-CYBMUJFWSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CCNC(=O)c2cc(OC)no2)C2CC2)C1=O ZINC001267325706 837204178 /nfs/dbraw/zinc/20/41/78/837204178.db2.gz JJIASPGNGUYGIT-CYBMUJFWSA-N 1 1 348.403 0.664 20 30 ECEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1cccc2c[nH]nc21)C1CC1 ZINC001267331087 837212410 /nfs/dbraw/zinc/21/24/10/837212410.db2.gz XLTQPBCZEVVGNT-UHFFFAOYSA-N 1 1 340.387 0.397 20 30 ECEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1cccc2c[nH]nc21)C1CC1 ZINC001267331087 837212417 /nfs/dbraw/zinc/21/24/17/837212417.db2.gz XLTQPBCZEVVGNT-UHFFFAOYSA-N 1 1 340.387 0.397 20 30 ECEDMO C[C@H](CC(=O)NCC[N@H+](CC(=O)NCC#N)C1CC1)C(F)(F)F ZINC001267332081 837213501 /nfs/dbraw/zinc/21/35/01/837213501.db2.gz BKLPJMKCCVZJBY-SNVBAGLBSA-N 1 1 334.342 0.795 20 30 ECEDMO C[C@H](CC(=O)NCC[N@@H+](CC(=O)NCC#N)C1CC1)C(F)(F)F ZINC001267332081 837213510 /nfs/dbraw/zinc/21/35/10/837213510.db2.gz BKLPJMKCCVZJBY-SNVBAGLBSA-N 1 1 334.342 0.795 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](CCN1CCNC1=O)C1CC1 ZINC001267333401 837215579 /nfs/dbraw/zinc/21/55/79/837215579.db2.gz YQJTVAJHRJOYAK-CABCVRRESA-N 1 1 336.436 0.183 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CC(=O)N2CCCC2)C2CC2)nc1 ZINC001267336184 837220220 /nfs/dbraw/zinc/22/02/20/837220220.db2.gz KXCGQYZBLRWEHB-UHFFFAOYSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC(=O)N2CCCC2)C2CC2)nc1 ZINC001267336184 837220229 /nfs/dbraw/zinc/22/02/29/837220229.db2.gz KXCGQYZBLRWEHB-UHFFFAOYSA-N 1 1 340.427 0.880 20 30 ECEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001267337755 837222315 /nfs/dbraw/zinc/22/23/15/837222315.db2.gz HWEZXJGPRQYCQU-OCCSQVGLSA-N 1 1 329.466 0.613 20 30 ECEDMO CN(CC[NH2+]Cc1ncnn1CC(F)F)C(=O)c1cc(C#N)c[nH]1 ZINC001267360620 837250218 /nfs/dbraw/zinc/25/02/18/837250218.db2.gz MVFFZWQCDAWZEZ-UHFFFAOYSA-N 1 1 337.334 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cn(C(C)(C)C)nn1 ZINC001267386740 837323871 /nfs/dbraw/zinc/32/38/71/837323871.db2.gz SXWHUHMKZUTZRZ-INIZCTEOSA-N 1 1 346.479 0.679 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cn(C(C)(C)C)nn1 ZINC001267386740 837323883 /nfs/dbraw/zinc/32/38/83/837323883.db2.gz SXWHUHMKZUTZRZ-INIZCTEOSA-N 1 1 346.479 0.679 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1cccc2c[nH]nc21 ZINC001267412175 837369245 /nfs/dbraw/zinc/36/92/45/837369245.db2.gz RXMCBFVFUNXWRI-GFCCVEGCSA-N 1 1 327.388 0.362 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001267580611 837843138 /nfs/dbraw/zinc/84/31/38/837843138.db2.gz ZPNHTHLJOYVGST-UONOGXRCSA-N 1 1 343.431 0.971 20 30 ECEDMO C[N@@H+](C[C@@H](O)Cn1cccn1)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001267581424 837844583 /nfs/dbraw/zinc/84/45/83/837844583.db2.gz PMCCIDLUBKSLKN-IAGOWNOFSA-N 1 1 330.432 0.438 20 30 ECEDMO C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001267581659 837845768 /nfs/dbraw/zinc/84/57/68/837845768.db2.gz CDLRVJIZOVRNPX-AWEZNQCLSA-N 1 1 343.493 0.365 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2nccn2CC)C1 ZINC001267582871 837848679 /nfs/dbraw/zinc/84/86/79/837848679.db2.gz ZXSOXANDJUENCY-AWEZNQCLSA-N 1 1 331.420 0.046 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001267582762 837848744 /nfs/dbraw/zinc/84/87/44/837848744.db2.gz KNRKQXNPAFZSHT-CHWSQXEVSA-N 1 1 341.402 0.950 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001267585317 837860112 /nfs/dbraw/zinc/86/01/12/837860112.db2.gz SKLDJDOZHRBWFR-CSLYMUCUSA-N 1 1 332.448 0.987 20 30 ECEDMO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001267591870 837883899 /nfs/dbraw/zinc/88/38/99/837883899.db2.gz KQCKCRPBNPHSPC-CQSZACIVSA-N 1 1 329.466 0.072 20 30 ECEDMO C=CCNC(=O)CN(C)C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267593582 837893322 /nfs/dbraw/zinc/89/33/22/837893322.db2.gz NVDVHYJJXVYMKL-HZPDHXFCSA-N 1 1 336.480 0.411 20 30 ECEDMO C=CCNC(=O)CN(C)C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267593582 837893328 /nfs/dbraw/zinc/89/33/28/837893328.db2.gz NVDVHYJJXVYMKL-HZPDHXFCSA-N 1 1 336.480 0.411 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001267596367 837900680 /nfs/dbraw/zinc/90/06/80/837900680.db2.gz YSNZFLZSYLXVOA-CQSZACIVSA-N 1 1 346.431 0.834 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c(C)n[nH]c2C)C1 ZINC001267596782 837903077 /nfs/dbraw/zinc/90/30/77/837903077.db2.gz PWHHBWAUCFMMLF-OAHLLOKOSA-N 1 1 345.447 0.099 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)c2cccn2C)CC1 ZINC001267597943 837905231 /nfs/dbraw/zinc/90/52/31/837905231.db2.gz NLYZOQLMRKODBM-OAHLLOKOSA-N 1 1 344.459 0.947 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(C[N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001267598979 837910039 /nfs/dbraw/zinc/91/00/39/837910039.db2.gz XMSCYNPQJFYXCD-YOEHRIQHSA-N 1 1 325.453 0.748 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2ccccc2F)C1 ZINC001267602008 837924902 /nfs/dbraw/zinc/92/49/02/837924902.db2.gz UYAMXQPNYFQAMT-HNNXBMFYSA-N 1 1 345.418 0.946 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC(C[N@H+](C)C[C@@H](O)COC)CC2)c1 ZINC001267602666 837927330 /nfs/dbraw/zinc/92/73/30/837927330.db2.gz DIYQUIQEXSUZTM-GOSISDBHSA-N 1 1 345.443 0.854 20 30 ECEDMO COCC#CCN1CC[NH+](CCN(C)C(=O)[C@@H](C)CSC)CC1 ZINC001267606385 837945323 /nfs/dbraw/zinc/94/53/23/837945323.db2.gz XERKACNBJJKHIH-INIZCTEOSA-N 1 1 341.521 0.711 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001267611632 837975711 /nfs/dbraw/zinc/97/57/11/837975711.db2.gz CPNWIQQORGKOTB-TZMCWYRMSA-N 1 1 329.404 0.771 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001267611632 837975716 /nfs/dbraw/zinc/97/57/16/837975716.db2.gz CPNWIQQORGKOTB-TZMCWYRMSA-N 1 1 329.404 0.771 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001267617392 838039167 /nfs/dbraw/zinc/03/91/67/838039167.db2.gz GJARXPREMAVSDG-LUKYLMHMSA-N 1 1 348.491 0.435 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC001267617663 838041321 /nfs/dbraw/zinc/04/13/21/838041321.db2.gz FKBRVHWYMKJAQV-HNNXBMFYSA-N 1 1 345.491 0.850 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC001267617663 838041331 /nfs/dbraw/zinc/04/13/31/838041331.db2.gz FKBRVHWYMKJAQV-HNNXBMFYSA-N 1 1 345.491 0.850 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001267619287 838055242 /nfs/dbraw/zinc/05/52/42/838055242.db2.gz FXXMYSKVMQKHLN-DZGCQCFKSA-N 1 1 342.443 0.836 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001267619287 838055252 /nfs/dbraw/zinc/05/52/52/838055252.db2.gz FXXMYSKVMQKHLN-DZGCQCFKSA-N 1 1 342.443 0.836 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCCOC(C)C)C1 ZINC001267621536 838061415 /nfs/dbraw/zinc/06/14/15/838061415.db2.gz XCXYSFLKNOHVNB-HZPDHXFCSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCOC(C)C)C1 ZINC001267621536 838061423 /nfs/dbraw/zinc/06/14/23/838061423.db2.gz XCXYSFLKNOHVNB-HZPDHXFCSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)OCC(C)C)C1 ZINC001267631103 838090114 /nfs/dbraw/zinc/09/01/14/838090114.db2.gz AVGAXOKWCMNHAY-JKSUJKDBSA-N 1 1 337.464 0.577 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC001267632807 838093689 /nfs/dbraw/zinc/09/36/89/838093689.db2.gz QKTGZHWJPBNBQR-INIZCTEOSA-N 1 1 333.432 0.868 20 30 ECEDMO C[C@@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)CSCC#N)C1 ZINC001267673689 838217397 /nfs/dbraw/zinc/21/73/97/838217397.db2.gz GGGFGUPNWXYZAL-ZDUSSCGKSA-N 1 1 338.477 0.692 20 30 ECEDMO CCN(CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(=O)c1cc(C#N)c[nH]1 ZINC001408749622 838255251 /nfs/dbraw/zinc/25/52/51/838255251.db2.gz REIWSUWBTOKWRO-HNNXBMFYSA-N 1 1 347.419 0.185 20 30 ECEDMO CCN(CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(=O)c1cc(C#N)c[nH]1 ZINC001408749622 838255256 /nfs/dbraw/zinc/25/52/56/838255256.db2.gz REIWSUWBTOKWRO-HNNXBMFYSA-N 1 1 347.419 0.185 20 30 ECEDMO CCN(CCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(=O)c1cc(C#N)c[nH]1 ZINC001408749623 838255400 /nfs/dbraw/zinc/25/54/00/838255400.db2.gz REIWSUWBTOKWRO-OAHLLOKOSA-N 1 1 347.419 0.185 20 30 ECEDMO CCN(CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(=O)c1cc(C#N)c[nH]1 ZINC001408749623 838255408 /nfs/dbraw/zinc/25/54/08/838255408.db2.gz REIWSUWBTOKWRO-OAHLLOKOSA-N 1 1 347.419 0.185 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001267691233 838261606 /nfs/dbraw/zinc/26/16/06/838261606.db2.gz WCGHXFNZXAWWRD-HZPDHXFCSA-N 1 1 347.463 0.917 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)c2cn(CC)cn2)C1 ZINC001267702397 838299781 /nfs/dbraw/zinc/29/97/81/838299781.db2.gz GKLTXVNPRKKRGJ-CABCVRRESA-N 1 1 347.463 0.988 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCCCOC)C1=O ZINC001267703956 838307183 /nfs/dbraw/zinc/30/71/83/838307183.db2.gz ACXUMFIYUUTZEN-JYJNAYRXSA-N 1 1 335.448 0.875 20 30 ECEDMO COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(N)=O)cs2)C1 ZINC001267708453 838316283 /nfs/dbraw/zinc/31/62/83/838316283.db2.gz NDJXOUKDPFIFPM-ZDUSSCGKSA-N 1 1 349.456 0.891 20 30 ECEDMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC#Cc1ccccc1 ZINC001267717456 838364687 /nfs/dbraw/zinc/36/46/87/838364687.db2.gz WCPKGUCXYKZEFM-OKZBNKHCSA-N 1 1 328.412 0.721 20 30 ECEDMO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001267722900 838377133 /nfs/dbraw/zinc/37/71/33/838377133.db2.gz QYDQOFDYUJAPID-GJZGRUSLSA-N 1 1 341.477 0.118 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC(C[N@H+](C)C[C@@H](O)COC)CC1 ZINC001267724329 838384946 /nfs/dbraw/zinc/38/49/46/838384946.db2.gz DIOWVLGHOMLKIE-NVXWUHKLSA-N 1 1 328.453 0.491 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001267725018 838390389 /nfs/dbraw/zinc/39/03/89/838390389.db2.gz DNAILHPTRQAOHH-AWEZNQCLSA-N 1 1 329.404 0.975 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CCN(C)C2=O)CC1 ZINC001267733509 838425511 /nfs/dbraw/zinc/42/55/11/838425511.db2.gz RMKDYEKQKFNTEC-KRWDZBQOSA-N 1 1 349.475 0.675 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@H+](CCOC(C)C)C1 ZINC001267735102 838430067 /nfs/dbraw/zinc/43/00/67/838430067.db2.gz JRSHDTSLDYIODA-AWEZNQCLSA-N 1 1 340.468 0.866 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H](OC)C2CCC2)CC1 ZINC001267739874 838439243 /nfs/dbraw/zinc/43/92/43/838439243.db2.gz LJMRORSHWLVYLR-SFHVURJKSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC001267741419 838442094 /nfs/dbraw/zinc/44/20/94/838442094.db2.gz XQNBHGVTHQVZPS-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)CC2)C1 ZINC001267741419 838442098 /nfs/dbraw/zinc/44/20/98/838442098.db2.gz XQNBHGVTHQVZPS-JKSUJKDBSA-N 1 1 335.448 0.474 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001267754420 838477659 /nfs/dbraw/zinc/47/76/59/838477659.db2.gz GYNXHWURBOHHQJ-OAHLLOKOSA-N 1 1 344.415 0.792 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001267754420 838477663 /nfs/dbraw/zinc/47/76/63/838477663.db2.gz GYNXHWURBOHHQJ-OAHLLOKOSA-N 1 1 344.415 0.792 20 30 ECEDMO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267761090 838488526 /nfs/dbraw/zinc/48/85/26/838488526.db2.gz AVYHKZFBTDEVAT-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267761090 838488527 /nfs/dbraw/zinc/48/85/27/838488527.db2.gz AVYHKZFBTDEVAT-HOTGVXAUSA-N 1 1 337.464 0.720 20 30 ECEDMO C=CCNC(=O)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267761951 838491095 /nfs/dbraw/zinc/49/10/95/838491095.db2.gz MGPGTGRJGRZDRD-CVEARBPZSA-N 1 1 336.480 0.694 20 30 ECEDMO C=C(C)[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)OCC ZINC001267763142 838494327 /nfs/dbraw/zinc/49/43/27/838494327.db2.gz KQRRPTPZCNWOTB-CABCVRRESA-N 1 1 325.453 0.979 20 30 ECEDMO C=C(C)[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)OCC ZINC001267763142 838494330 /nfs/dbraw/zinc/49/43/30/838494330.db2.gz KQRRPTPZCNWOTB-CABCVRRESA-N 1 1 325.453 0.979 20 30 ECEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001267771844 838523523 /nfs/dbraw/zinc/52/35/23/838523523.db2.gz OCNAVIUNMXGJQG-CQSZACIVSA-N 1 1 336.436 0.817 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C(F)(F)F)CC2)C1 ZINC001267772131 838526142 /nfs/dbraw/zinc/52/61/42/838526142.db2.gz ARFMJFCPZXMMRG-LLVKDONJSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C(F)(F)F)CC2)C1 ZINC001267772131 838526146 /nfs/dbraw/zinc/52/61/46/838526146.db2.gz ARFMJFCPZXMMRG-LLVKDONJSA-N 1 1 331.338 0.611 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001267783467 838557069 /nfs/dbraw/zinc/55/70/69/838557069.db2.gz IXWYZKHWYDYOLY-RHSMWYFYSA-N 1 1 325.453 0.761 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001267783467 838557075 /nfs/dbraw/zinc/55/70/75/838557075.db2.gz IXWYZKHWYDYOLY-RHSMWYFYSA-N 1 1 325.453 0.761 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001267782889 838558647 /nfs/dbraw/zinc/55/86/47/838558647.db2.gz BZFXSRLSSWAKPI-TZMCWYRMSA-N 1 1 348.451 0.269 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001267782889 838558655 /nfs/dbraw/zinc/55/86/55/838558655.db2.gz BZFXSRLSSWAKPI-TZMCWYRMSA-N 1 1 348.451 0.269 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC001267785171 838563024 /nfs/dbraw/zinc/56/30/24/838563024.db2.gz TZBOTFQNDOQEEN-PBHICJAKSA-N 1 1 325.453 0.763 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001267785171 838563029 /nfs/dbraw/zinc/56/30/29/838563029.db2.gz TZBOTFQNDOQEEN-PBHICJAKSA-N 1 1 325.453 0.763 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267787280 838563948 /nfs/dbraw/zinc/56/39/48/838563948.db2.gz ZJBFPCIFQPMRCQ-KBPBESRZSA-N 1 1 333.432 0.764 20 30 ECEDMO CCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267787280 838563953 /nfs/dbraw/zinc/56/39/53/838563953.db2.gz ZJBFPCIFQPMRCQ-KBPBESRZSA-N 1 1 333.432 0.764 20 30 ECEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001267931559 838813296 /nfs/dbraw/zinc/81/32/96/838813296.db2.gz WGPWZTWBHLMMLL-UONOGXRCSA-N 1 1 331.482 0.861 20 30 ECEDMO COCC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C(=O)OC)CC2 ZINC001267972532 838902598 /nfs/dbraw/zinc/90/25/98/838902598.db2.gz JUWWMNRHGKFQFL-HOTGVXAUSA-N 1 1 348.443 0.760 20 30 ECEDMO C=CCCC[N@H+]1CCO[C@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001268024277 839013439 /nfs/dbraw/zinc/01/34/39/839013439.db2.gz BITPCBNZPJULHC-CQSZACIVSA-N 1 1 334.420 0.810 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)COCCC=C)CC2 ZINC001268047592 839218201 /nfs/dbraw/zinc/21/82/01/839218201.db2.gz HGPNTDZJECHCSN-MRXNPFEDSA-N 1 1 347.459 0.641 20 30 ECEDMO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001268063169 839248713 /nfs/dbraw/zinc/24/87/13/839248713.db2.gz IENAOCXCDUEXJH-RHSMWYFYSA-N 1 1 347.463 0.876 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c1C#N ZINC000174540280 231235259 /nfs/dbraw/zinc/23/52/59/231235259.db2.gz BASDWJAMPUZUOU-UHFFFAOYSA-N 1 1 330.388 0.644 20 30 ECEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(NC(N)=O)CC3)C2=O)cc1 ZINC000174922600 231345541 /nfs/dbraw/zinc/34/55/41/231345541.db2.gz HSHZOVPRAYOPQF-OAHLLOKOSA-N 1 1 327.388 0.796 20 30 ECEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C#N)n2)[C@@H](C)C1 ZINC000426747982 210162389 /nfs/dbraw/zinc/16/23/89/210162389.db2.gz TYCKJOKNWFPVRT-KBPBESRZSA-N 1 1 334.424 0.403 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000426424550 210150337 /nfs/dbraw/zinc/15/03/37/210150337.db2.gz IIOKKILZROXTDM-GASCZTMLSA-N 1 1 345.451 0.167 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000330508330 282396931 /nfs/dbraw/zinc/39/69/31/282396931.db2.gz ISMXUKJVSROFLC-MRXNPFEDSA-N 1 1 336.461 0.935 20 30 ECEDMO CN(CCC#N)S(=O)(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000330508330 282396932 /nfs/dbraw/zinc/39/69/32/282396932.db2.gz ISMXUKJVSROFLC-MRXNPFEDSA-N 1 1 336.461 0.935 20 30 ECEDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000375742687 291130195 /nfs/dbraw/zinc/13/01/95/291130195.db2.gz MFMPYSYJDZQFTL-HOTGVXAUSA-N 1 1 333.436 0.437 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)NC)n(C)c2)CC1 ZINC000264358041 246399069 /nfs/dbraw/zinc/39/90/69/246399069.db2.gz FPABKBKXYDVMRX-UHFFFAOYSA-N 1 1 340.449 0.313 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1 ZINC000329969338 285057103 /nfs/dbraw/zinc/05/71/03/285057103.db2.gz UMPDYQSYHFUJAX-WMLDXEAASA-N 1 1 341.452 0.891 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000429395325 210316499 /nfs/dbraw/zinc/31/64/99/210316499.db2.gz STPBLSRPYUQRKS-CABCVRRESA-N 1 1 338.429 0.664 20 30 ECEDMO CS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000429395325 210316503 /nfs/dbraw/zinc/31/65/03/210316503.db2.gz STPBLSRPYUQRKS-CABCVRRESA-N 1 1 338.429 0.664 20 30 ECEDMO C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCOC)CC1 ZINC000282362653 254554193 /nfs/dbraw/zinc/55/41/93/254554193.db2.gz TWLFQXHCWVESMB-UHFFFAOYSA-N 1 1 348.451 0.469 20 30 ECEDMO CC(=O)N1CCC[C@@H](CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC000329998617 254625131 /nfs/dbraw/zinc/62/51/31/254625131.db2.gz SQQFZJSBZKSKLI-AWEZNQCLSA-N 1 1 328.482 0.797 20 30 ECEDMO C#CCN(CC#CC)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000490699572 254883197 /nfs/dbraw/zinc/88/31/97/254883197.db2.gz QPDYXORZYXNPMK-QGZVFWFLSA-N 1 1 345.443 0.185 20 30 ECEDMO C#C[C@@H]1COCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000491714335 254929822 /nfs/dbraw/zinc/92/98/22/254929822.db2.gz GGGWVMJBUATNJD-GOSISDBHSA-N 1 1 327.428 0.665 20 30 ECEDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000419334981 209062458 /nfs/dbraw/zinc/06/24/58/209062458.db2.gz VVXRLEUKEJUDRW-BFYDXBDKSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@H](C)CN1CCO ZINC000419334981 209062461 /nfs/dbraw/zinc/06/24/61/209062461.db2.gz VVXRLEUKEJUDRW-BFYDXBDKSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@H](C)CN1CCO ZINC000419334981 209062463 /nfs/dbraw/zinc/06/24/63/209062463.db2.gz VVXRLEUKEJUDRW-BFYDXBDKSA-N 1 1 333.432 0.685 20 30 ECEDMO C[C@H](CS(C)(=O)=O)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000163099276 296717863 /nfs/dbraw/zinc/71/78/63/296717863.db2.gz WMJPOKVGPKHHRB-LLVKDONJSA-N 1 1 330.431 0.355 20 30 ECEDMO COCC[NH+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000176995646 164899047 /nfs/dbraw/zinc/89/90/47/164899047.db2.gz MBVXVKPQICGTSM-CQSZACIVSA-N 1 1 334.445 0.989 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001077961210 782019232 /nfs/dbraw/zinc/01/92/32/782019232.db2.gz CELNEWJKPBJAOM-RBSFLKMASA-N 1 1 344.477 0.329 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001077961210 782019240 /nfs/dbraw/zinc/01/92/40/782019240.db2.gz CELNEWJKPBJAOM-RBSFLKMASA-N 1 1 344.477 0.329 20 30 ECEDMO C[C@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000329344230 299006030 /nfs/dbraw/zinc/00/60/30/299006030.db2.gz QJWXKUXSUWAGGU-STQMWFEESA-N 1 1 344.481 0.422 20 30 ECEDMO C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000283509225 264123804 /nfs/dbraw/zinc/12/38/04/264123804.db2.gz BKLMOZJVLQVOAE-WFASDCNBSA-N 1 1 326.400 0.916 20 30 ECEDMO CC(C)C[NH+]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 ZINC000283518268 264125394 /nfs/dbraw/zinc/12/53/94/264125394.db2.gz CFEAHUIDWYJUKS-UHFFFAOYSA-N 1 1 328.416 0.975 20 30 ECEDMO CC(C)[C@@H](C(=O)NCCn1cnc(C#N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000286878869 264431259 /nfs/dbraw/zinc/43/12/59/264431259.db2.gz NZHWQFMLGDPYAS-GUTXKFCHSA-N 1 1 334.424 0.400 20 30 ECEDMO CC(C)[C@@H](C(=O)NCCn1cnc(C#N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000286878869 264431260 /nfs/dbraw/zinc/43/12/60/264431260.db2.gz NZHWQFMLGDPYAS-GUTXKFCHSA-N 1 1 334.424 0.400 20 30 ECEDMO C[N@H+]1CC=C(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000271864637 270005454 /nfs/dbraw/zinc/00/54/54/270005454.db2.gz AXQFUYFDRYDBMU-UHFFFAOYSA-N 1 1 347.440 0.851 20 30 ECEDMO C[N@@H+]1CC=C(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000271864637 270005455 /nfs/dbraw/zinc/00/54/55/270005455.db2.gz AXQFUYFDRYDBMU-UHFFFAOYSA-N 1 1 347.440 0.851 20 30 ECEDMO CCC(CC)[C@@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000342504218 270006097 /nfs/dbraw/zinc/00/60/97/270006097.db2.gz CVXUPVCJHUNYAY-DZGCQCFKSA-N 1 1 348.451 0.964 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 ZINC000369353040 270007441 /nfs/dbraw/zinc/00/74/41/270007441.db2.gz BFZHVOWTXMKJLJ-OAHLLOKOSA-N 1 1 349.460 0.354 20 30 ECEDMO N#Cc1ncn(C2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)n1 ZINC000375929261 270007744 /nfs/dbraw/zinc/00/77/44/270007744.db2.gz WCJQQGWYLSZBSJ-UHFFFAOYSA-N 1 1 349.398 0.975 20 30 ECEDMO CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H](C)CO ZINC000339628554 266103805 /nfs/dbraw/zinc/10/38/05/266103805.db2.gz GLGGRTNCYRSNSG-GFCCVEGCSA-N 1 1 335.408 0.206 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000341375849 266153292 /nfs/dbraw/zinc/15/32/92/266153292.db2.gz ZXRIZGVZBLSGMG-GJZGRUSLSA-N 1 1 330.388 0.654 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000341375849 266153295 /nfs/dbraw/zinc/15/32/95/266153295.db2.gz ZXRIZGVZBLSGMG-GJZGRUSLSA-N 1 1 330.388 0.654 20 30 ECEDMO CCS(=O)(=O)NCC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344111259 266341983 /nfs/dbraw/zinc/34/19/83/266341983.db2.gz KMLLOJHOVSJNFM-UHFFFAOYSA-N 1 1 325.434 0.946 20 30 ECEDMO CCS(=O)(=O)NCC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344111259 266341990 /nfs/dbraw/zinc/34/19/90/266341990.db2.gz KMLLOJHOVSJNFM-UHFFFAOYSA-N 1 1 325.434 0.946 20 30 ECEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(C#N)nc2)CC1 ZINC000527940473 267024397 /nfs/dbraw/zinc/02/43/97/267024397.db2.gz ZSMNZUFREIOICH-UHFFFAOYSA-N 1 1 343.431 0.603 20 30 ECEDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000332308524 267104011 /nfs/dbraw/zinc/10/40/11/267104011.db2.gz MBUBFZBCXJDYKO-CHWSQXEVSA-N 1 1 326.400 0.998 20 30 ECEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000332308524 267104013 /nfs/dbraw/zinc/10/40/13/267104013.db2.gz MBUBFZBCXJDYKO-CHWSQXEVSA-N 1 1 326.400 0.998 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(C#N)cn2)CCCO1 ZINC000340373965 267232769 /nfs/dbraw/zinc/23/27/69/267232769.db2.gz AOOXERDJBHKMBT-ZDUSSCGKSA-N 1 1 345.403 0.509 20 30 ECEDMO N#Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1F ZINC000321505517 268016811 /nfs/dbraw/zinc/01/68/11/268016811.db2.gz BDURDXGFXVOOCD-QWHCGFSZSA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000355449331 268071789 /nfs/dbraw/zinc/07/17/89/268071789.db2.gz QHABXCVWXBAAGL-MRXNPFEDSA-N 1 1 343.431 0.945 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000321731885 268080493 /nfs/dbraw/zinc/08/04/93/268080493.db2.gz ZTXWYWKKBCHONG-HZPDHXFCSA-N 1 1 335.429 0.841 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000346634499 268178628 /nfs/dbraw/zinc/17/86/28/268178628.db2.gz FRLWEKWJYKAFTL-FSDCSDTHSA-N 1 1 329.400 0.884 20 30 ECEDMO N#Cc1cccc(CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000342095132 268243362 /nfs/dbraw/zinc/24/33/62/268243362.db2.gz LDYSSNOOSOURKC-MRXNPFEDSA-N 1 1 343.431 0.740 20 30 ECEDMO N#Cc1ncn(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000339625145 268334314 /nfs/dbraw/zinc/33/43/14/268334314.db2.gz ROGUIJWONSCTRB-UHFFFAOYSA-N 1 1 340.387 0.298 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000332354305 276011254 /nfs/dbraw/zinc/01/12/54/276011254.db2.gz RYCNHGFEPKPYPC-WMZOPIPTSA-N 1 1 336.480 0.916 20 30 ECEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCN[C@H](C)C1)C(C)C ZINC000419563435 277849798 /nfs/dbraw/zinc/84/97/98/277849798.db2.gz BBBSLDQIGGTMFO-HZPDHXFCSA-N 1 1 336.480 0.622 20 30 ECEDMO CC[NH+]=C(NCc1cn[nH]c1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262568947 278168581 /nfs/dbraw/zinc/16/85/81/278168581.db2.gz MMTNLDCLLSOEHS-HNNXBMFYSA-N 1 1 348.451 0.507 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCC2(O)CCOCC2)C[C@H]1C ZINC000329475669 278289848 /nfs/dbraw/zinc/28/98/48/278289848.db2.gz BHAXWBZKOVKETA-KGLIPLIRSA-N 1 1 329.441 0.219 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000374415194 279225450 /nfs/dbraw/zinc/22/54/50/279225450.db2.gz LGUBYHMQMYCHBC-CQSZACIVSA-N 1 1 346.497 0.491 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000329885317 279295921 /nfs/dbraw/zinc/29/59/21/279295921.db2.gz UKVKVXRWMDQOOF-FRRDWIJNSA-N 1 1 333.454 0.476 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000340213921 437603286 /nfs/dbraw/zinc/60/32/86/437603286.db2.gz SGRFLRKLTJBUGS-JYJNAYRXSA-N 1 1 337.464 0.932 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000356556817 290035656 /nfs/dbraw/zinc/03/56/56/290035656.db2.gz ZKDXYLQKZOVRPY-DYVFJYSZSA-N 1 1 338.452 0.610 20 30 ECEDMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000329268121 290087374 /nfs/dbraw/zinc/08/73/74/290087374.db2.gz GKDCLUQBFXVEFA-GJZGRUSLSA-N 1 1 341.452 0.627 20 30 ECEDMO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)C1 ZINC000330209459 290184382 /nfs/dbraw/zinc/18/43/82/290184382.db2.gz HQZOKXLXOYMELG-UKRRQHHQSA-N 1 1 344.481 0.352 20 30 ECEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@H](O)CN1CCOCC1 ZINC000083244463 436368647 /nfs/dbraw/zinc/36/86/47/436368647.db2.gz YTKULSRBOJTWHD-INIZCTEOSA-N 1 1 346.431 0.512 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCCC)C2)CC1 ZINC000081669067 436355567 /nfs/dbraw/zinc/35/55/67/436355567.db2.gz MITWFLYVMNEOIB-INIZCTEOSA-N 1 1 334.464 0.002 20 30 ECEDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000092014771 436465245 /nfs/dbraw/zinc/46/52/45/436465245.db2.gz JXNHXDNTHSEBHM-INIZCTEOSA-N 1 1 328.372 0.952 20 30 ECEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943180 436421629 /nfs/dbraw/zinc/42/16/29/436421629.db2.gz PORKOITZXVWUTR-SECBINFHSA-N 1 1 333.396 0.105 20 30 ECEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942875 436422002 /nfs/dbraw/zinc/42/20/02/436422002.db2.gz JQUJCHFSNTZTON-LBPRGKRZSA-N 1 1 331.424 0.736 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000051557628 436490997 /nfs/dbraw/zinc/49/09/97/436490997.db2.gz KSOIRIWARCZLMH-AWEZNQCLSA-N 1 1 336.436 0.723 20 30 ECEDMO N#C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1 ZINC000106328099 436591348 /nfs/dbraw/zinc/59/13/48/436591348.db2.gz LXTHBBARLJDMEX-OAHLLOKOSA-N 1 1 336.436 0.955 20 30 ECEDMO C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000111341754 436630226 /nfs/dbraw/zinc/63/02/26/436630226.db2.gz HKERYTZTTNRYQX-HNNXBMFYSA-N 1 1 328.482 0.722 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)CCCC#N)C2)CC1 ZINC000111339266 436630318 /nfs/dbraw/zinc/63/03/18/436630318.db2.gz JRLYAIXRKLNVIU-AWEZNQCLSA-N 1 1 342.465 0.106 20 30 ECEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000110743909 436629628 /nfs/dbraw/zinc/62/96/28/436629628.db2.gz SGQBCVFYNYCAGW-OAHLLOKOSA-N 1 1 330.432 0.884 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC([N@@H+](C)CCCO)CC1 ZINC000115547967 436647852 /nfs/dbraw/zinc/64/78/52/436647852.db2.gz WSZSPOQXDQWNMP-CYBMUJFWSA-N 1 1 326.441 0.165 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1 ZINC000120431938 436687555 /nfs/dbraw/zinc/68/75/55/436687555.db2.gz ARCQNBXGSLXZTA-JKSUJKDBSA-N 1 1 335.429 0.748 20 30 ECEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1 ZINC000120431938 436687558 /nfs/dbraw/zinc/68/75/58/436687558.db2.gz ARCQNBXGSLXZTA-JKSUJKDBSA-N 1 1 335.429 0.748 20 30 ECEDMO C[C@@H]1CN(CC[N@H+](C)CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1 ZINC000195315772 436688155 /nfs/dbraw/zinc/68/81/55/436688155.db2.gz UFUUWHNVASGOBY-IYBDPMFKSA-N 1 1 335.452 0.683 20 30 ECEDMO C[C@@H]1CN(CC[N@@H+](C)CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1 ZINC000195315772 436688158 /nfs/dbraw/zinc/68/81/58/436688158.db2.gz UFUUWHNVASGOBY-IYBDPMFKSA-N 1 1 335.452 0.683 20 30 ECEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000150895235 436692841 /nfs/dbraw/zinc/69/28/41/436692841.db2.gz OGQHOAHBFVILQU-LBPRGKRZSA-N 1 1 336.436 0.916 20 30 ECEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000120903345 436701601 /nfs/dbraw/zinc/70/16/01/436701601.db2.gz JAEDGWURKJXEHD-CYBMUJFWSA-N 1 1 338.433 0.572 20 30 ECEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000120903345 436701605 /nfs/dbraw/zinc/70/16/05/436701605.db2.gz JAEDGWURKJXEHD-CYBMUJFWSA-N 1 1 338.433 0.572 20 30 ECEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000139144208 436663517 /nfs/dbraw/zinc/66/35/17/436663517.db2.gz SAVHGGJTFCDNQN-UHFFFAOYSA-N 1 1 346.391 0.521 20 30 ECEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000194922063 436674548 /nfs/dbraw/zinc/67/45/48/436674548.db2.gz SCKCMMQXQITJBM-MCIONIFRSA-N 1 1 342.399 0.936 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCNC(=O)CC2)c(OC)c1 ZINC000065954506 436675143 /nfs/dbraw/zinc/67/51/43/436675143.db2.gz NIOJATKVYJWDKL-OAHLLOKOSA-N 1 1 334.416 0.985 20 30 ECEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCNC(=O)CC2)c(OC)c1 ZINC000065954506 436675146 /nfs/dbraw/zinc/67/51/46/436675146.db2.gz NIOJATKVYJWDKL-OAHLLOKOSA-N 1 1 334.416 0.985 20 30 ECEDMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000271093567 436678184 /nfs/dbraw/zinc/67/81/84/436678184.db2.gz VRCIIFYGSOWQPV-UHFFFAOYSA-N 1 1 332.408 0.598 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(CCCn2cc[nH+]c2C)c1=O ZINC000271237937 436678668 /nfs/dbraw/zinc/67/86/68/436678668.db2.gz XFALJWSIPMHNNG-UHFFFAOYSA-N 1 1 331.376 0.139 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000067701258 436720637 /nfs/dbraw/zinc/72/06/37/436720637.db2.gz UQBPTBVNWRLEED-UHFFFAOYSA-N 1 1 335.429 0.422 20 30 ECEDMO Cc1nc(-c2cccc(C#N)c2)nn1C[C@@H](O)C[NH+]1CCOCC1 ZINC000152501928 436731346 /nfs/dbraw/zinc/73/13/46/436731346.db2.gz MMOFXEFIHGJIIZ-INIZCTEOSA-N 1 1 327.388 0.818 20 30 ECEDMO C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246053692 436772077 /nfs/dbraw/zinc/77/20/77/436772077.db2.gz AUBRTWAERDFMOZ-GOEBONIOSA-N 1 1 345.447 0.893 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000247687290 436796699 /nfs/dbraw/zinc/79/66/99/436796699.db2.gz VHJFHAFUOJWLQP-CABCVRRESA-N 1 1 338.452 0.573 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000131449824 436852225 /nfs/dbraw/zinc/85/22/25/436852225.db2.gz VFLUVSDPNRPQDV-CQSZACIVSA-N 1 1 338.477 0.788 20 30 ECEDMO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000274678239 436858850 /nfs/dbraw/zinc/85/88/50/436858850.db2.gz VXDRMEMYXHRAGO-SFHVURJKSA-N 1 1 331.416 0.990 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000293342701 436868003 /nfs/dbraw/zinc/86/80/03/436868003.db2.gz KGGSNZUALRIYRY-UHFFFAOYSA-N 1 1 344.371 0.027 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(CC(=O)OC)c1 ZINC000293394372 436872588 /nfs/dbraw/zinc/87/25/88/436872588.db2.gz NXUVBAUOSODUKQ-UHFFFAOYSA-N 1 1 345.399 0.412 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000293866250 436915009 /nfs/dbraw/zinc/91/50/09/436915009.db2.gz SGTNGWDVWXDCSN-UHFFFAOYSA-N 1 1 342.417 0.916 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)C1=O ZINC000281453663 436971060 /nfs/dbraw/zinc/97/10/60/436971060.db2.gz UUGAWVNDPUOYCY-UKRRQHHQSA-N 1 1 331.420 0.667 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262754855 436941677 /nfs/dbraw/zinc/94/16/77/436941677.db2.gz DCRJSSBGKXUDEE-JKSUJKDBSA-N 1 1 343.479 0.670 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000264418596 437027796 /nfs/dbraw/zinc/02/77/96/437027796.db2.gz WEKQANFPPPUKQS-UHFFFAOYSA-N 1 1 348.432 0.591 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000296441374 436990929 /nfs/dbraw/zinc/99/09/29/436990929.db2.gz WBYXYSJWJNYCMS-MAUKXSAKSA-N 1 1 348.399 0.809 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000263955656 437006536 /nfs/dbraw/zinc/00/65/36/437006536.db2.gz GFIQCIXPPZQOKP-LLVKDONJSA-N 1 1 341.371 0.559 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CC[C@@H](C)O)CC2)o1 ZINC000173572570 437058505 /nfs/dbraw/zinc/05/85/05/437058505.db2.gz MYRCKVYJVRKQHK-GFCCVEGCSA-N 1 1 335.408 0.206 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CC1 ZINC000299305272 437068194 /nfs/dbraw/zinc/06/81/94/437068194.db2.gz HTMMMEVXZKQSKW-UHFFFAOYSA-N 1 1 340.383 0.270 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000264792888 437084913 /nfs/dbraw/zinc/08/49/13/437084913.db2.gz UZRPITKZPDVRJL-CDVVCGDMSA-N 1 1 328.416 0.964 20 30 ECEDMO C=CCSCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000286630882 437112655 /nfs/dbraw/zinc/11/26/55/437112655.db2.gz ZRBLKDLJGBHWEV-KBPBESRZSA-N 1 1 325.478 0.965 20 30 ECEDMO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000286969663 437148494 /nfs/dbraw/zinc/14/84/94/437148494.db2.gz NXZHVPPDILRMOU-AWEZNQCLSA-N 1 1 335.408 0.853 20 30 ECEDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000286969663 437148496 /nfs/dbraw/zinc/14/84/96/437148496.db2.gz NXZHVPPDILRMOU-AWEZNQCLSA-N 1 1 335.408 0.853 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCc3ccccc3[C@H]2CO)CC1 ZINC000305083128 437160580 /nfs/dbraw/zinc/16/05/80/437160580.db2.gz TUTLYBWLYGGLOC-GOSISDBHSA-N 1 1 327.428 0.356 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@H]2CO)CC1 ZINC000305083128 437160586 /nfs/dbraw/zinc/16/05/86/437160586.db2.gz TUTLYBWLYGGLOC-GOSISDBHSA-N 1 1 327.428 0.356 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000286750357 437126005 /nfs/dbraw/zinc/12/60/05/437126005.db2.gz GINVRVLUGCFGDP-OCCSQVGLSA-N 1 1 349.435 0.200 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2[C@H](C)CCC[C@@H]2CO)CC1 ZINC000305883144 437164790 /nfs/dbraw/zinc/16/47/90/437164790.db2.gz WJCZAMINWWLBBI-ZACQAIPSSA-N 1 1 336.480 0.914 20 30 ECEDMO O=S1(=O)C[C@@H]([NH2+]CC#Cc2ccccc2)[C@H](N2CCOCC2)C1 ZINC000276936071 437177991 /nfs/dbraw/zinc/17/79/91/437177991.db2.gz JHZJDXYAHMSLBE-IAGOWNOFSA-N 1 1 334.441 0.126 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000331984039 437191432 /nfs/dbraw/zinc/19/14/32/437191432.db2.gz MSOFLOJZSILACT-GHMZBOCLSA-N 1 1 329.422 0.225 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000331984039 437191436 /nfs/dbraw/zinc/19/14/36/437191436.db2.gz MSOFLOJZSILACT-GHMZBOCLSA-N 1 1 329.422 0.225 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000332384598 437217613 /nfs/dbraw/zinc/21/76/13/437217613.db2.gz GSGXWAVEYXXQIQ-OLZOCXBDSA-N 1 1 325.438 0.936 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)CC1 ZINC000332894413 437253455 /nfs/dbraw/zinc/25/34/55/437253455.db2.gz PTNXXQGHCFIZHJ-CHWSQXEVSA-N 1 1 329.466 0.854 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000336929876 437313832 /nfs/dbraw/zinc/31/38/32/437313832.db2.gz AQBILIWLORUURW-ZDUSSCGKSA-N 1 1 346.453 0.036 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000336929876 437313833 /nfs/dbraw/zinc/31/38/33/437313833.db2.gz AQBILIWLORUURW-ZDUSSCGKSA-N 1 1 346.453 0.036 20 30 ECEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336938578 437315248 /nfs/dbraw/zinc/31/52/48/437315248.db2.gz HQXYJAHRQPDRCF-BARDWOONSA-N 1 1 344.481 0.412 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000336944864 437317028 /nfs/dbraw/zinc/31/70/28/437317028.db2.gz MTGMFUAZIPGWJR-TZMCWYRMSA-N 1 1 330.454 0.166 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)N1CC[NH+](C)CC1 ZINC000336973491 437320107 /nfs/dbraw/zinc/32/01/07/437320107.db2.gz MQWSUMPKUAZDNM-KGLIPLIRSA-N 1 1 333.440 0.099 20 30 ECEDMO CN(C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1)c1nccn(C)c1=O ZINC000328855948 437272722 /nfs/dbraw/zinc/27/27/22/437272722.db2.gz UDIGCOQPSXCZCK-QLFBSQMISA-N 1 1 331.420 0.610 20 30 ECEDMO CN(C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCO1)c1nccn(C)c1=O ZINC000328855948 437272724 /nfs/dbraw/zinc/27/27/24/437272724.db2.gz UDIGCOQPSXCZCK-QLFBSQMISA-N 1 1 331.420 0.610 20 30 ECEDMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000288105511 437279233 /nfs/dbraw/zinc/27/92/33/437279233.db2.gz LFFMPBPEPSOZMB-UHFFFAOYSA-N 1 1 327.406 0.619 20 30 ECEDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCN(C(C)C)C2=O)[N@@H+](C)C1 ZINC000328994890 437299344 /nfs/dbraw/zinc/29/93/44/437299344.db2.gz GGKJLHQVUCXJFN-MELADBBJSA-N 1 1 326.441 0.561 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000337214608 437340527 /nfs/dbraw/zinc/34/05/27/437340527.db2.gz XQKLPGMCRAGXCO-UHFFFAOYSA-N 1 1 331.486 0.082 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(F)cc1C#N ZINC000288694401 437345664 /nfs/dbraw/zinc/34/56/64/437345664.db2.gz VWCQZFSQHJYDGQ-UHFFFAOYSA-N 1 1 342.440 0.859 20 30 ECEDMO CN(CCCNS(=O)(=O)c1ccc(F)cc1C#N)CC[NH+](C)C ZINC000288694401 437345669 /nfs/dbraw/zinc/34/56/69/437345669.db2.gz VWCQZFSQHJYDGQ-UHFFFAOYSA-N 1 1 342.440 0.859 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOCC3(CC3)C2)CC1 ZINC000329301612 437348987 /nfs/dbraw/zinc/34/89/87/437348987.db2.gz MZTUNSDAMGTHMH-INIZCTEOSA-N 1 1 334.464 0.791 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCOCC3(CC3)C2)CC1 ZINC000329301612 437348991 /nfs/dbraw/zinc/34/89/91/437348991.db2.gz MZTUNSDAMGTHMH-INIZCTEOSA-N 1 1 334.464 0.791 20 30 ECEDMO C[C@@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329300921 437350292 /nfs/dbraw/zinc/35/02/92/437350292.db2.gz MREAHKQKHFLCDG-GFCCVEGCSA-N 1 1 329.466 0.965 20 30 ECEDMO CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000329333330 437353281 /nfs/dbraw/zinc/35/32/81/437353281.db2.gz WZFWYGTUCXGKQE-AWEZNQCLSA-N 1 1 347.481 0.725 20 30 ECEDMO C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000329361408 437357694 /nfs/dbraw/zinc/35/76/94/437357694.db2.gz YNFSOZMGMXPKOW-UONOGXRCSA-N 1 1 326.441 0.469 20 30 ECEDMO O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329381828 437359098 /nfs/dbraw/zinc/35/90/98/437359098.db2.gz OCRMWJGTVKDWDX-QLFBSQMISA-N 1 1 334.424 0.550 20 30 ECEDMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329485930 437374547 /nfs/dbraw/zinc/37/45/47/437374547.db2.gz SVHVUCHTWLOBGM-SOUVJXGZSA-N 1 1 339.436 0.834 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329129546 437323241 /nfs/dbraw/zinc/32/32/41/437323241.db2.gz WDKICLRCZKFQTK-UKRRQHHQSA-N 1 1 329.466 0.877 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000278592178 437326070 /nfs/dbraw/zinc/32/60/70/437326070.db2.gz KLKGNKHSHLPFFS-QGZVFWFLSA-N 1 1 333.436 0.432 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)C1 ZINC000329240886 437339691 /nfs/dbraw/zinc/33/96/91/437339691.db2.gz RIKXGXBGIQKAIQ-OWCLPIDISA-N 1 1 340.468 0.416 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCC[N@H+](C)CCN(C)C ZINC000289348284 437403925 /nfs/dbraw/zinc/40/39/25/437403925.db2.gz FVPYYXBIWGHZMR-CQSZACIVSA-N 1 1 327.473 0.202 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCC[N@@H+](C)CCN(C)C ZINC000289348284 437403928 /nfs/dbraw/zinc/40/39/28/437403928.db2.gz FVPYYXBIWGHZMR-CQSZACIVSA-N 1 1 327.473 0.202 20 30 ECEDMO C[C@H](O)CN1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000329785669 437413262 /nfs/dbraw/zinc/41/32/62/437413262.db2.gz QCVFIYSVFKLFGI-OFQRWUPVSA-N 1 1 344.525 0.725 20 30 ECEDMO COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000329778767 437413395 /nfs/dbraw/zinc/41/33/95/437413395.db2.gz QLQCSBXRLGCVBZ-VXGBXAGGSA-N 1 1 334.424 0.480 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000329778767 437413403 /nfs/dbraw/zinc/41/34/03/437413403.db2.gz QLQCSBXRLGCVBZ-VXGBXAGGSA-N 1 1 334.424 0.480 20 30 ECEDMO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000329778767 437413407 /nfs/dbraw/zinc/41/34/07/437413407.db2.gz QLQCSBXRLGCVBZ-VXGBXAGGSA-N 1 1 334.424 0.480 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000329861617 437422247 /nfs/dbraw/zinc/42/22/47/437422247.db2.gz XZJZELCFRLXMJK-CABCVRRESA-N 1 1 326.441 0.028 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000338881245 437423678 /nfs/dbraw/zinc/42/36/78/437423678.db2.gz RBWJYXRNGFKMGI-QGZVFWFLSA-N 1 1 335.423 0.649 20 30 ECEDMO CN(C)C(=O)CCN1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000329910969 437430106 /nfs/dbraw/zinc/43/01/06/437430106.db2.gz AGZIRXCLRBQZIU-AWEZNQCLSA-N 1 1 325.457 0.091 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337775011 437378472 /nfs/dbraw/zinc/37/84/72/437378472.db2.gz PQIFWRIBLLIIEH-SOUVJXGZSA-N 1 1 346.497 0.944 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337775011 437378476 /nfs/dbraw/zinc/37/84/76/437378476.db2.gz PQIFWRIBLLIIEH-SOUVJXGZSA-N 1 1 346.497 0.944 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)N1CC[NH+](C)CC1 ZINC000329548874 437382304 /nfs/dbraw/zinc/38/23/04/437382304.db2.gz BIXJMFRMBTWMAG-HUUCEWRRSA-N 1 1 334.468 0.981 20 30 ECEDMO N#CCC1(CS(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000329571664 437385420 /nfs/dbraw/zinc/38/54/20/437385420.db2.gz IZJSIZHKBYKCLH-CQSZACIVSA-N 1 1 327.450 0.664 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000337989509 437385816 /nfs/dbraw/zinc/38/58/16/437385816.db2.gz DZNSWSFTWSLOGM-UONOGXRCSA-N 1 1 332.470 0.292 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CN2CCc3ccccc3C2=O)CC1 ZINC000279333481 437396399 /nfs/dbraw/zinc/39/63/99/437396399.db2.gz YJQDDAMKWVFOSH-UHFFFAOYSA-N 1 1 325.412 0.852 20 30 ECEDMO O=C(NCCNS(=O)(=O)c1cccnc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330232501 437471944 /nfs/dbraw/zinc/47/19/44/437471944.db2.gz RPFYXYIBOILHRB-AWEZNQCLSA-N 1 1 338.433 0.943 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000339629792 437480465 /nfs/dbraw/zinc/48/04/65/437480465.db2.gz RWCSTPFDTQMGLZ-BBWFWOEESA-N 1 1 335.496 0.703 20 30 ECEDMO C[C@@H]1CCS(=O)(=O)CCN1C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329970414 437440169 /nfs/dbraw/zinc/44/01/69/437440169.db2.gz XEMYOFLBNPMGNL-CHWSQXEVSA-N 1 1 340.449 0.869 20 30 ECEDMO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@H](C)CC[NH+]1CCN(C)CC1)CC2 ZINC000329978115 437440820 /nfs/dbraw/zinc/44/08/20/437440820.db2.gz GYJNOJQDHMCRTK-UKRRQHHQSA-N 1 1 349.483 0.431 20 30 ECEDMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCOCCC#N)C1 ZINC000339137156 437442534 /nfs/dbraw/zinc/44/25/34/437442534.db2.gz QIBAIBVUAZCZBS-CQSZACIVSA-N 1 1 333.454 0.289 20 30 ECEDMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCOCCC#N)C1 ZINC000339137156 437442538 /nfs/dbraw/zinc/44/25/38/437442538.db2.gz QIBAIBVUAZCZBS-CQSZACIVSA-N 1 1 333.454 0.289 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000330003949 437444661 /nfs/dbraw/zinc/44/46/61/437444661.db2.gz ARIOTSLDNRJQEG-UONOGXRCSA-N 1 1 346.497 0.741 20 30 ECEDMO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000330177960 437464302 /nfs/dbraw/zinc/46/43/02/437464302.db2.gz LFDNLYMZNKCEDO-CAOSSQGBSA-N 1 1 341.452 0.747 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC(S(N)(=O)=O)CC2)C1 ZINC000330384540 437497938 /nfs/dbraw/zinc/49/79/38/437497938.db2.gz ZKEKGBCPPCWRJF-CYBMUJFWSA-N 1 1 346.497 0.631 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000330396896 437499993 /nfs/dbraw/zinc/49/99/93/437499993.db2.gz RYNUJVZVVHFKAA-UONOGXRCSA-N 1 1 332.470 0.365 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000330396896 437499995 /nfs/dbraw/zinc/49/99/95/437499995.db2.gz RYNUJVZVVHFKAA-UONOGXRCSA-N 1 1 332.470 0.365 20 30 ECEDMO CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000330421356 437506678 /nfs/dbraw/zinc/50/66/78/437506678.db2.gz YCFCQIPFUBQUSX-BFHYXJOUSA-N 1 1 327.425 0.534 20 30 ECEDMO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCN(c2[nH+]ccn2C)CC1 ZINC000330501760 437530372 /nfs/dbraw/zinc/53/03/72/437530372.db2.gz AYCRBXFSEHRHFV-ZDUSSCGKSA-N 1 1 336.440 0.617 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000340002231 437543640 /nfs/dbraw/zinc/54/36/40/437543640.db2.gz FBRNHSNKAYCKOR-UHFFFAOYSA-N 1 1 339.403 0.990 20 30 ECEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](CC)CCC ZINC000360173431 437545516 /nfs/dbraw/zinc/54/55/16/437545516.db2.gz ZDQFCHJAXOASQA-HUUCEWRRSA-N 1 1 325.453 0.932 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340038053 437553725 /nfs/dbraw/zinc/55/37/25/437553725.db2.gz ROKRRWAPVIEYAW-CYBMUJFWSA-N 1 1 331.376 0.119 20 30 ECEDMO C=C[C@@H](CO)NC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000291359255 437581969 /nfs/dbraw/zinc/58/19/69/437581969.db2.gz UHGWAZSHZMUOOP-HNNXBMFYSA-N 1 1 348.447 0.663 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC2(CC1)[C@H](O)C[C@@H]2OCC ZINC000360941907 437651808 /nfs/dbraw/zinc/65/18/08/437651808.db2.gz OBJDJXZBLDHPJJ-OLZOCXBDSA-N 1 1 325.409 0.250 20 30 ECEDMO C[C@@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H](CO)O1 ZINC000331001700 437668021 /nfs/dbraw/zinc/66/80/21/437668021.db2.gz WHSZFOLDNZPTCJ-RKDXNWHRSA-N 1 1 327.303 0.051 20 30 ECEDMO C[C@@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H](CO)O1 ZINC000331001700 437668027 /nfs/dbraw/zinc/66/80/27/437668027.db2.gz WHSZFOLDNZPTCJ-RKDXNWHRSA-N 1 1 327.303 0.051 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccn(CC(F)F)n2)CC1 ZINC000331180579 437708853 /nfs/dbraw/zinc/70/88/53/437708853.db2.gz RJAOSWDFHFJYFN-UHFFFAOYSA-N 1 1 344.366 0.685 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)N2CCC[C@H](OCCO)C2)CC1(C)C ZINC000331271449 437730451 /nfs/dbraw/zinc/73/04/51/437730451.db2.gz NIGGAEQHEIJPOW-HNNXBMFYSA-N 1 1 342.484 0.400 20 30 ECEDMO COCc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ncn1 ZINC000331289860 437733555 /nfs/dbraw/zinc/73/35/55/437733555.db2.gz JMXAJNLMYYDZOV-LBPRGKRZSA-N 1 1 337.424 0.946 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000356984541 437881470 /nfs/dbraw/zinc/88/14/70/437881470.db2.gz VBTYPUHKELIEQD-CYBMUJFWSA-N 1 1 330.454 0.152 20 30 ECEDMO COCC1(C#N)CC[NH+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000341983037 437934212 /nfs/dbraw/zinc/93/42/12/437934212.db2.gz SXNCOVVWPIMBRL-KGLIPLIRSA-N 1 1 336.436 0.351 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000347859901 437973094 /nfs/dbraw/zinc/97/30/94/437973094.db2.gz GJQHBTFAJKOFJW-CYBMUJFWSA-N 1 1 344.415 0.609 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416654310 437982136 /nfs/dbraw/zinc/98/21/36/437982136.db2.gz CULUSGVPCMCAHK-HZSPNIEDSA-N 1 1 332.470 0.100 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416654310 437982137 /nfs/dbraw/zinc/98/21/37/437982137.db2.gz CULUSGVPCMCAHK-HZSPNIEDSA-N 1 1 332.470 0.100 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426127723 438049677 /nfs/dbraw/zinc/04/96/77/438049677.db2.gz NGUXIOKNGNIDNJ-GHMZBOCLSA-N 1 1 334.342 0.747 20 30 ECEDMO N#CCC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000348590472 438080147 /nfs/dbraw/zinc/08/01/47/438080147.db2.gz WURYOLPIDZYRAT-OAHLLOKOSA-N 1 1 334.420 0.214 20 30 ECEDMO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000348798995 438104310 /nfs/dbraw/zinc/10/43/10/438104310.db2.gz MGFZYXHJSVAZOT-UHFFFAOYSA-N 1 1 334.424 0.892 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372274638 438059993 /nfs/dbraw/zinc/05/99/93/438059993.db2.gz PWJUPBOYWWEAHD-OLZOCXBDSA-N 1 1 333.436 0.982 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372274638 438059997 /nfs/dbraw/zinc/05/99/97/438059997.db2.gz PWJUPBOYWWEAHD-OLZOCXBDSA-N 1 1 333.436 0.982 20 30 ECEDMO N#CCc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000372286810 438061385 /nfs/dbraw/zinc/06/13/85/438061385.db2.gz DNSBNKNQCWRSOR-SFHVURJKSA-N 1 1 342.443 0.889 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000430391712 438110213 /nfs/dbraw/zinc/11/02/13/438110213.db2.gz HGDQBJGJJGXHNK-OAGGEKHMSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000430398461 438111032 /nfs/dbraw/zinc/11/10/32/438111032.db2.gz IREVWUROYJHDET-XHSDSOJGSA-N 1 1 337.464 0.884 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)nn1CCC#N ZINC000349283756 438146064 /nfs/dbraw/zinc/14/60/64/438146064.db2.gz OYXOHDVWGYZENM-YPMHNXCESA-N 1 1 344.419 0.785 20 30 ECEDMO C=CCN1CC[C@H](N(C)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1=O ZINC000373963958 438176728 /nfs/dbraw/zinc/17/67/28/438176728.db2.gz WOIUAFVQGXBGHE-KKUMJFAQSA-N 1 1 336.436 0.278 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367771011 438245809 /nfs/dbraw/zinc/24/58/09/438245809.db2.gz PTTPNKBEAZJVRT-KRWDZBQOSA-N 1 1 335.496 0.708 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000367771011 438245814 /nfs/dbraw/zinc/24/58/14/438245814.db2.gz PTTPNKBEAZJVRT-KRWDZBQOSA-N 1 1 335.496 0.708 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000367771011 438245817 /nfs/dbraw/zinc/24/58/17/438245817.db2.gz PTTPNKBEAZJVRT-KRWDZBQOSA-N 1 1 335.496 0.708 20 30 ECEDMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 ZINC000433516477 438256662 /nfs/dbraw/zinc/25/66/62/438256662.db2.gz OFLXRFQLWZIYMK-UHFFFAOYSA-N 1 1 347.394 0.390 20 30 ECEDMO C[C@@H](NC(=O)NCC(=O)NCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376310303 438277773 /nfs/dbraw/zinc/27/77/73/438277773.db2.gz QKOAOQYZCRWKNK-ZBFHGGJFSA-N 1 1 343.431 0.836 20 30 ECEDMO C#CCCCS(=O)(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376353883 438279764 /nfs/dbraw/zinc/27/97/64/438279764.db2.gz RTXRLBDPGATNKZ-HZPDHXFCSA-N 1 1 327.494 0.687 20 30 ECEDMO N#CCNC(=O)CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000377028787 438299921 /nfs/dbraw/zinc/29/99/21/438299921.db2.gz DDFUQZLQTVAEEJ-UHFFFAOYSA-N 1 1 347.394 0.683 20 30 ECEDMO N#CCNC(=O)CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000377028787 438299925 /nfs/dbraw/zinc/29/99/25/438299925.db2.gz DDFUQZLQTVAEEJ-UHFFFAOYSA-N 1 1 347.394 0.683 20 30 ECEDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 ZINC000377219640 438306024 /nfs/dbraw/zinc/30/60/24/438306024.db2.gz DFBGADFMEMZAQF-CYBMUJFWSA-N 1 1 331.424 0.808 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(Cc2noc(CC)n2)C1 ZINC000369245881 438443798 /nfs/dbraw/zinc/44/37/98/438443798.db2.gz ULEIUVVAFGFFPZ-KBPBESRZSA-N 1 1 333.436 0.666 20 30 ECEDMO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nn1CCC#N ZINC000378520525 438396785 /nfs/dbraw/zinc/39/67/85/438396785.db2.gz NYJNHWHWWCROSJ-LSDHHAIUSA-N 1 1 346.435 1.480 20 30 ECEDMO Cc1cc(NC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)nn1CCC#N ZINC000378520525 438396791 /nfs/dbraw/zinc/39/67/91/438396791.db2.gz NYJNHWHWWCROSJ-LSDHHAIUSA-N 1 1 346.435 1.480 20 30 ECEDMO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352242196 438401097 /nfs/dbraw/zinc/40/10/97/438401097.db2.gz PHXXLNZGHSRPJE-GFCCVEGCSA-N 1 1 330.454 0.008 20 30 ECEDMO CC[NH+]1CCN(CCCCNC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000438324078 438477273 /nfs/dbraw/zinc/47/72/73/438477273.db2.gz QSXRIMBOQTVNJH-UHFFFAOYSA-N 1 1 347.467 1.336 20 30 ECEDMO CNC(=O)[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422080836 438515195 /nfs/dbraw/zinc/51/51/95/438515195.db2.gz BJSUTLJVBQFFDF-OCCSQVGLSA-N 1 1 326.356 0.258 20 30 ECEDMO CNC(=O)[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422080836 438515198 /nfs/dbraw/zinc/51/51/98/438515198.db2.gz BJSUTLJVBQFFDF-OCCSQVGLSA-N 1 1 326.356 0.258 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000369879096 438524666 /nfs/dbraw/zinc/52/46/66/438524666.db2.gz XBJCSRUJDXHQDQ-BRWVUGGUSA-N 1 1 334.464 0.932 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000353840770 438542297 /nfs/dbraw/zinc/54/22/97/438542297.db2.gz ISAZOSAZMHWULZ-CQSZACIVSA-N 1 1 332.404 0.645 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441002791 438574431 /nfs/dbraw/zinc/57/44/31/438574431.db2.gz WFQPEBQONVFAHQ-UHFFFAOYSA-N 1 1 335.452 0.826 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000411915267 438683572 /nfs/dbraw/zinc/68/35/72/438683572.db2.gz ZAYRMKVASDXWNY-HUUCEWRRSA-N 1 1 325.453 0.836 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000411915267 438683577 /nfs/dbraw/zinc/68/35/77/438683577.db2.gz ZAYRMKVASDXWNY-HUUCEWRRSA-N 1 1 325.453 0.836 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000411915267 438683580 /nfs/dbraw/zinc/68/35/80/438683580.db2.gz ZAYRMKVASDXWNY-HUUCEWRRSA-N 1 1 325.453 0.836 20 30 ECEDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000453672551 438688012 /nfs/dbraw/zinc/68/80/12/438688012.db2.gz NUXMXUALDJBOQK-MRXNPFEDSA-N 1 1 344.415 0.720 20 30 ECEDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451394908 438698397 /nfs/dbraw/zinc/69/83/97/438698397.db2.gz CNTAXHAMZBBHBM-AWEZNQCLSA-N 1 1 343.836 0.751 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494710340 438705367 /nfs/dbraw/zinc/70/53/67/438705367.db2.gz PRAFXSZIJHGEKF-KGLIPLIRSA-N 1 1 331.482 0.813 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494710340 438705371 /nfs/dbraw/zinc/70/53/71/438705371.db2.gz PRAFXSZIJHGEKF-KGLIPLIRSA-N 1 1 331.482 0.813 20 30 ECEDMO N#C[C@@]1(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000548139329 438723992 /nfs/dbraw/zinc/72/39/92/438723992.db2.gz IHKSPSKOSHOBPH-SFHVURJKSA-N 1 1 328.416 0.603 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000554518456 438765193 /nfs/dbraw/zinc/76/51/93/438765193.db2.gz XGKVYMKMIOHNON-LSDHHAIUSA-N 1 1 344.481 0.413 20 30 ECEDMO C=CCC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000456784748 438781012 /nfs/dbraw/zinc/78/10/12/438781012.db2.gz XRFZGYCZPGFWNQ-BZUAXINKSA-N 1 1 337.464 0.763 20 30 ECEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000558494642 438810296 /nfs/dbraw/zinc/81/02/96/438810296.db2.gz FDVUXGFGFPVDQH-ZDUSSCGKSA-N 1 1 327.344 0.123 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000577112038 438814155 /nfs/dbraw/zinc/81/41/55/438814155.db2.gz WMVSESVPYHEYHP-UHFFFAOYSA-N 1 1 348.428 0.215 20 30 ECEDMO C=CCC[C@H](CO)NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000457606571 438815323 /nfs/dbraw/zinc/81/53/23/438815323.db2.gz HJZBSOBXTFAFDQ-CVEARBPZSA-N 1 1 326.485 0.885 20 30 ECEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588123986 438819827 /nfs/dbraw/zinc/81/98/27/438819827.db2.gz RAIUXDDELLHYNH-GASCZTMLSA-N 1 1 349.479 0.470 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000577188784 438822236 /nfs/dbraw/zinc/82/22/36/438822236.db2.gz MVPSINLRWZTJSX-GVDBMIGSSA-N 1 1 325.453 0.853 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)CC3(C#N)CCC3)[C@H]2C1 ZINC000559127592 438833818 /nfs/dbraw/zinc/83/38/18/438833818.db2.gz JURNIFBDXFFGIA-UONOGXRCSA-N 1 1 327.450 0.805 20 30 ECEDMO C[C@]1(C#N)CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000595648083 438839404 /nfs/dbraw/zinc/83/94/04/438839404.db2.gz IMGHQWJDNMILNS-MRXNPFEDSA-N 1 1 336.436 0.813 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@](O)(C3CC3)C2)CC1 ZINC000595748634 438857217 /nfs/dbraw/zinc/85/72/17/438857217.db2.gz BPNWUCHFJZOOAF-HKUYNNGSSA-N 1 1 348.491 0.916 20 30 ECEDMO N#Cc1ccc([C@@H](C(N)=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595862949 438873366 /nfs/dbraw/zinc/87/33/66/438873366.db2.gz IREBLUDJLWHAIN-IRXDYDNUSA-N 1 1 328.416 0.616 20 30 ECEDMO N#CC1(NC(=O)CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCCCC1 ZINC000595869722 438875110 /nfs/dbraw/zinc/87/51/10/438875110.db2.gz XVRRMXKXXKYUFB-MRXNPFEDSA-N 1 1 334.464 0.860 20 30 ECEDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000590282625 438907828 /nfs/dbraw/zinc/90/78/28/438907828.db2.gz VWXIDVMHDHJQAC-AAEUAGOBSA-N 1 1 344.419 0.611 20 30 ECEDMO CC(C)N1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1=O ZINC000515831917 438881290 /nfs/dbraw/zinc/88/12/90/438881290.db2.gz BQSHWLPFGCDVJS-CQSZACIVSA-N 1 1 335.429 0.931 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2(C#N)CC3(CC3)C2)CC1=O ZINC000601581473 438936422 /nfs/dbraw/zinc/93/64/22/438936422.db2.gz HWCAHIHGTSYQHD-AWEZNQCLSA-N 1 1 348.447 0.366 20 30 ECEDMO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000597224559 439060863 /nfs/dbraw/zinc/06/08/63/439060863.db2.gz KMIGWOBYQIXRFX-AWEZNQCLSA-N 1 1 327.392 0.789 20 30 ECEDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000597224559 439060867 /nfs/dbraw/zinc/06/08/67/439060867.db2.gz KMIGWOBYQIXRFX-AWEZNQCLSA-N 1 1 327.392 0.789 20 30 ECEDMO N#CC[C@]1(O)CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000596880999 439012124 /nfs/dbraw/zinc/01/21/24/439012124.db2.gz ODPWZHKKLYMQKA-INMHGKMJSA-N 1 1 348.447 0.690 20 30 ECEDMO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(C#N)n2)CCCO1 ZINC000580443908 439091835 /nfs/dbraw/zinc/09/18/35/439091835.db2.gz ASOBAWTVTLDSDA-ZDUSSCGKSA-N 1 1 345.403 0.509 20 30 ECEDMO C=CCn1cc(C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)nn1 ZINC000521426661 439118530 /nfs/dbraw/zinc/11/85/30/439118530.db2.gz LDIWAJDVEQJTHH-ZDUSSCGKSA-N 1 1 341.371 0.211 20 30 ECEDMO C=CCn1cc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)nn1 ZINC000566674869 439080773 /nfs/dbraw/zinc/08/07/73/439080773.db2.gz PULFMGRUIUHUOG-ZDUSSCGKSA-N 1 1 336.440 0.451 20 30 ECEDMO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(C(N)=O)no2)cc1 ZINC000591751638 439080934 /nfs/dbraw/zinc/08/09/34/439080934.db2.gz KYQFPWOMDCLFKB-LBPRGKRZSA-N 1 1 330.344 0.369 20 30 ECEDMO N#Cc1cnn2cc(C[N@H+]3C[C@H](O)C[C@@H]3[C@@H]3CCCOC3)cnc12 ZINC000566737304 439084651 /nfs/dbraw/zinc/08/46/51/439084651.db2.gz GQUZJTIHFCMCCD-FVQBIDKESA-N 1 1 327.388 0.963 20 30 ECEDMO N#CC[C@]1(O)CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000591985921 439126957 /nfs/dbraw/zinc/12/69/57/439126957.db2.gz PURBOHJJDLTKTI-ZOBUZTSGSA-N 1 1 336.436 0.690 20 30 ECEDMO COC(=O)CCNC(=O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602913467 439159044 /nfs/dbraw/zinc/15/90/44/439159044.db2.gz VBGQAQJXRLDOEI-UHFFFAOYSA-N 1 1 330.388 0.812 20 30 ECEDMO N#CC1(Cc2cn(C[C@@H](O)C[NH+]3CCOCC3)nn2)CCCCC1 ZINC000603260078 439221593 /nfs/dbraw/zinc/22/15/93/439221593.db2.gz QNABZWHZIPEGSF-INIZCTEOSA-N 1 1 333.436 0.988 20 30 ECEDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](O)C(F)(F)F ZINC000592431444 439226007 /nfs/dbraw/zinc/22/60/07/439226007.db2.gz ZLJMEGOFWXCUQO-GZMMTYOYSA-N 1 1 337.323 0.628 20 30 ECEDMO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000592196111 439176966 /nfs/dbraw/zinc/17/69/66/439176966.db2.gz ADBRHJFKFLYQBG-GJZGRUSLSA-N 1 1 331.372 0.030 20 30 ECEDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000592196111 439176972 /nfs/dbraw/zinc/17/69/72/439176972.db2.gz ADBRHJFKFLYQBG-GJZGRUSLSA-N 1 1 331.372 0.030 20 30 ECEDMO CN1CCN(C(=O)C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000602989403 439177797 /nfs/dbraw/zinc/17/77/97/439177797.db2.gz NXNCXAVXBVMNQC-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000602989381 439178377 /nfs/dbraw/zinc/17/83/77/439178377.db2.gz NIYUZNQDRGRWSS-UHFFFAOYSA-N 1 1 331.376 0.672 20 30 ECEDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000592200545 439179742 /nfs/dbraw/zinc/17/97/42/439179742.db2.gz SXSIFEICAXADGJ-KBPBESRZSA-N 1 1 334.372 0.801 20 30 ECEDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000592200586 439179790 /nfs/dbraw/zinc/17/97/90/439179790.db2.gz UIDGNEKRKNJOAL-NWDGAFQWSA-N 1 1 337.401 0.804 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000592200588 439180512 /nfs/dbraw/zinc/18/05/12/439180512.db2.gz UIDGNEKRKNJOAL-VXGBXAGGSA-N 1 1 337.401 0.804 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000592209030 439183686 /nfs/dbraw/zinc/18/36/86/439183686.db2.gz QGMLHOXOCOIDPI-MGPQQGTHSA-N 1 1 337.420 0.573 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000592209030 439183691 /nfs/dbraw/zinc/18/36/91/439183691.db2.gz QGMLHOXOCOIDPI-MGPQQGTHSA-N 1 1 337.420 0.573 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000592287678 439193822 /nfs/dbraw/zinc/19/38/22/439193822.db2.gz FAGSGVKTCPGABD-CYBMUJFWSA-N 1 1 343.387 0.072 20 30 ECEDMO Cc1cc(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)ncc1C#N ZINC000603120923 439194893 /nfs/dbraw/zinc/19/48/93/439194893.db2.gz PQNDAYIHICNFAO-UHFFFAOYSA-N 1 1 344.419 0.890 20 30 ECEDMO C[C@H](C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)n1cnc(C#N)n1 ZINC000603120860 439195355 /nfs/dbraw/zinc/19/53/55/439195355.db2.gz XRCBCZWBOUPZRP-AGIUHOORSA-N 1 1 332.408 0.326 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603130552 439196315 /nfs/dbraw/zinc/19/63/15/439196315.db2.gz QYGZJWCLBYZKAS-UHFFFAOYSA-N 1 1 330.392 0.581 20 30 ECEDMO CCCN(C(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000592335467 439206036 /nfs/dbraw/zinc/20/60/36/439206036.db2.gz VSRNMSQPBYCZSU-OAHLLOKOSA-N 1 1 335.452 0.033 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1ccc(CC#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000592339948 439208294 /nfs/dbraw/zinc/20/82/94/439208294.db2.gz WMOAHURWDCXUBD-BBRMVZONSA-N 1 1 344.415 0.204 20 30 ECEDMO C[C@H](NC(=O)C(=O)NCc1ccc(CC#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000592339948 439208300 /nfs/dbraw/zinc/20/83/00/439208300.db2.gz WMOAHURWDCXUBD-BBRMVZONSA-N 1 1 344.415 0.204 20 30 ECEDMO N#Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c([N+](=O)[O-])c1 ZINC000581432042 439211041 /nfs/dbraw/zinc/21/10/41/439211041.db2.gz GWIOGTUBOPJMBY-UHFFFAOYSA-N 1 1 329.316 0.640 20 30 ECEDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489646578 439236871 /nfs/dbraw/zinc/23/68/71/439236871.db2.gz YSZLOOQNUIWOBE-GFCCVEGCSA-N 1 1 327.381 0.696 20 30 ECEDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489646578 439236876 /nfs/dbraw/zinc/23/68/76/439236876.db2.gz YSZLOOQNUIWOBE-GFCCVEGCSA-N 1 1 327.381 0.696 20 30 ECEDMO Cc1c(C#N)c(=O)n(Cc2[nH+]ccn2CC(F)(F)F)c(=O)n1C ZINC000603355380 439245072 /nfs/dbraw/zinc/24/50/72/439245072.db2.gz BACIKPBNOLGMGI-UHFFFAOYSA-N 1 1 327.266 0.534 20 30 ECEDMO C=CCn1cccc1C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000490017556 439251019 /nfs/dbraw/zinc/25/10/19/439251019.db2.gz CBHFXRUASHQNIB-CQSZACIVSA-N 1 1 339.461 0.865 20 30 ECEDMO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)ccn1 ZINC000603412298 439255742 /nfs/dbraw/zinc/25/57/42/439255742.db2.gz RBMJJCAGDSRGNA-INIZCTEOSA-N 1 1 343.431 0.480 20 30 ECEDMO N#CCC1(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000603430338 439260073 /nfs/dbraw/zinc/26/00/73/439260073.db2.gz GYHKYIMOZMUMCC-INIZCTEOSA-N 1 1 349.479 0.776 20 30 ECEDMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 ZINC000527350008 439268807 /nfs/dbraw/zinc/26/88/07/439268807.db2.gz KVNUTHQWYRZNLO-UHFFFAOYSA-N 1 1 332.408 0.598 20 30 ECEDMO COCCC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000598597098 439284807 /nfs/dbraw/zinc/28/48/07/439284807.db2.gz VHHPAGJRQGMZAX-ZIAGYGMSSA-N 1 1 332.466 0.813 20 30 ECEDMO COCCN1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)CC1=O ZINC000528470095 439338706 /nfs/dbraw/zinc/33/87/06/439338706.db2.gz CNZYGSLSOXRIAI-INIZCTEOSA-N 1 1 347.415 0.479 20 30 ECEDMO COCCN1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)CC1=O ZINC000528470095 439338711 /nfs/dbraw/zinc/33/87/11/439338711.db2.gz CNZYGSLSOXRIAI-INIZCTEOSA-N 1 1 347.415 0.479 20 30 ECEDMO C#CCN1CCN(C(=O)C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)CC1 ZINC000490951023 439318217 /nfs/dbraw/zinc/31/82/17/439318217.db2.gz VQQNKKBJOYJECP-MZNJEOGPSA-N 1 1 347.484 0.473 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000593000365 439330787 /nfs/dbraw/zinc/33/07/87/439330787.db2.gz MVUZHAXBWPZMRG-MRXNPFEDSA-N 1 1 348.472 0.959 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000491121914 439335324 /nfs/dbraw/zinc/33/53/24/439335324.db2.gz SPUZWAGXYQACJY-UHFFFAOYSA-N 1 1 334.464 0.146 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)CCC)C2)CC1 ZINC000490780220 439298571 /nfs/dbraw/zinc/29/85/71/439298571.db2.gz GQTMRQATHPXRGB-KRWDZBQOSA-N 1 1 348.491 0.392 20 30 ECEDMO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)n1 ZINC000598991823 439339585 /nfs/dbraw/zinc/33/95/85/439339585.db2.gz STGZYAWLLZKVBC-JTQLQIEISA-N 1 1 326.389 0.821 20 30 ECEDMO C#CC[N@H+](C)CCCNc1ccc(S(N)(=O)=O)cc1C(=O)OC ZINC000491153749 439339593 /nfs/dbraw/zinc/33/95/93/439339593.db2.gz DAMJLCNVCOSSIK-UHFFFAOYSA-N 1 1 339.417 0.488 20 30 ECEDMO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000528536530 439347812 /nfs/dbraw/zinc/34/78/12/439347812.db2.gz MWIZERLXGXMGAP-UHFFFAOYSA-N 1 1 327.450 0.807 20 30 ECEDMO C#CCNC(=O)CC[N@@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000491208889 439348522 /nfs/dbraw/zinc/34/85/22/439348522.db2.gz AFZOBSNPFHSOHV-UHFFFAOYSA-N 1 1 337.420 0.448 20 30 ECEDMO C#CCNC(=O)CC[N@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000491208889 439348525 /nfs/dbraw/zinc/34/85/25/439348525.db2.gz AFZOBSNPFHSOHV-UHFFFAOYSA-N 1 1 337.420 0.448 20 30 ECEDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528560859 439348727 /nfs/dbraw/zinc/34/87/27/439348727.db2.gz MURGZECFZSIZMC-JKSUJKDBSA-N 1 1 346.431 0.986 20 30 ECEDMO C#CCNC(=O)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000491209763 439350825 /nfs/dbraw/zinc/35/08/25/439350825.db2.gz LKILGBJZAXLHOF-IBGZPJMESA-N 1 1 340.471 0.628 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1nnn(Cc2noc(C)n2)c1C ZINC000491416796 439380113 /nfs/dbraw/zinc/38/01/13/439380113.db2.gz LVLRWQRFFIVFGA-CYBMUJFWSA-N 1 1 344.375 0.581 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1nnn(Cc2noc(C)n2)c1C ZINC000491416796 439380120 /nfs/dbraw/zinc/38/01/20/439380120.db2.gz LVLRWQRFFIVFGA-CYBMUJFWSA-N 1 1 344.375 0.581 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000491546418 439404519 /nfs/dbraw/zinc/40/45/19/439404519.db2.gz VSVDPEGUSYFQOY-MRXNPFEDSA-N 1 1 343.431 0.831 20 30 ECEDMO C#CCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)C1CCCC1 ZINC000491619303 439412321 /nfs/dbraw/zinc/41/23/21/439412321.db2.gz BUEONCWHEQDWGE-UHFFFAOYSA-N 1 1 349.475 0.960 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000491658206 439422631 /nfs/dbraw/zinc/42/26/31/439422631.db2.gz BAKHKHQXDJNPQY-HXUWFJFHSA-N 1 1 341.455 0.400 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000491666958 439424180 /nfs/dbraw/zinc/42/41/80/439424180.db2.gz KKDDIJUZFGXXKC-KZNAEPCWSA-N 1 1 332.492 0.426 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000491682293 439427113 /nfs/dbraw/zinc/42/71/13/439427113.db2.gz RGGWDJSYFODMDF-KGLIPLIRSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000491682293 439427115 /nfs/dbraw/zinc/42/71/15/439427115.db2.gz RGGWDJSYFODMDF-KGLIPLIRSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNC(=O)c1ccc2c(c1)CCC2 ZINC000491679774 439427342 /nfs/dbraw/zinc/42/73/42/439427342.db2.gz XYUXFKZXJPKOMX-UHFFFAOYSA-N 1 1 327.428 0.976 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000491707691 439433314 /nfs/dbraw/zinc/43/33/14/439433314.db2.gz SLZPPAPBGXMUBN-OAHLLOKOSA-N 1 1 345.447 0.911 20 30 ECEDMO COc1cc(C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)ccc1C#N ZINC000529663524 439433479 /nfs/dbraw/zinc/43/34/79/439433479.db2.gz DZTFQMNDBUERJR-UHFFFAOYSA-N 1 1 344.415 0.737 20 30 ECEDMO COc1cc(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)ccc1C#N ZINC000529663524 439433483 /nfs/dbraw/zinc/43/34/83/439433483.db2.gz DZTFQMNDBUERJR-UHFFFAOYSA-N 1 1 344.415 0.737 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](CC)S(=O)(=O)[C@@H](C)C1 ZINC000491751068 439442561 /nfs/dbraw/zinc/44/25/61/439442561.db2.gz XGPFQPAPAIAKNT-UONOGXRCSA-N 1 1 329.466 0.549 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](CC)S(=O)(=O)[C@@H](C)C1 ZINC000491751068 439442564 /nfs/dbraw/zinc/44/25/64/439442564.db2.gz XGPFQPAPAIAKNT-UONOGXRCSA-N 1 1 329.466 0.549 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000491750250 439442673 /nfs/dbraw/zinc/44/26/73/439442673.db2.gz UULYSIIXZFLRHP-UHFFFAOYSA-N 1 1 343.493 0.940 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)C(CC)(CC)C1 ZINC000491750250 439442677 /nfs/dbraw/zinc/44/26/77/439442677.db2.gz UULYSIIXZFLRHP-UHFFFAOYSA-N 1 1 343.493 0.940 20 30 ECEDMO C#CCN(C(=O)N[C@H](C)C[N@H+](C)CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000491771844 439445796 /nfs/dbraw/zinc/44/57/96/439445796.db2.gz PDIJGNDTXQKXTP-HUUCEWRRSA-N 1 1 343.493 0.939 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000570740891 439446708 /nfs/dbraw/zinc/44/67/08/439446708.db2.gz RXWDZGFNFFAHTF-KBPBESRZSA-N 1 1 344.481 0.508 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000570740891 439446713 /nfs/dbraw/zinc/44/67/13/439446713.db2.gz RXWDZGFNFFAHTF-KBPBESRZSA-N 1 1 344.481 0.508 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593754759 439462845 /nfs/dbraw/zinc/46/28/45/439462845.db2.gz OGSGFVUOABCANE-RDJZCZTQSA-N 1 1 342.443 0.990 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593754759 439462848 /nfs/dbraw/zinc/46/28/48/439462848.db2.gz OGSGFVUOABCANE-RDJZCZTQSA-N 1 1 342.443 0.990 20 30 ECEDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Cn2cnc(C#N)n2)cc1 ZINC000529835234 439464724 /nfs/dbraw/zinc/46/47/24/439464724.db2.gz YXTNPWGCMSIQCV-AWEZNQCLSA-N 1 1 340.387 0.549 20 30 ECEDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Cn2cnc(C#N)n2)cc1 ZINC000529835234 439464727 /nfs/dbraw/zinc/46/47/27/439464727.db2.gz YXTNPWGCMSIQCV-AWEZNQCLSA-N 1 1 340.387 0.549 20 30 ECEDMO N#CCc1cccc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000593905161 439491880 /nfs/dbraw/zinc/49/18/80/439491880.db2.gz PRRLPXDFIKETIH-MRXNPFEDSA-N 1 1 326.400 0.789 20 30 ECEDMO Cc1oc(NC(=O)[C@@H](C)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(C#N)c1C ZINC000594026619 439508762 /nfs/dbraw/zinc/50/87/62/439508762.db2.gz FQLWJTUJAKYDSV-KWCYVHTRSA-N 1 1 332.404 0.846 20 30 ECEDMO C#CC[N@@H+](C)CCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000491811418 439456392 /nfs/dbraw/zinc/45/63/92/439456392.db2.gz CZPHVTBLYAETRK-UHFFFAOYSA-N 1 1 326.378 0.609 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000491814481 439458079 /nfs/dbraw/zinc/45/80/79/439458079.db2.gz DBGSVLVLFSWQCS-UHFFFAOYSA-N 1 1 338.433 0.017 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533356227 439525457 /nfs/dbraw/zinc/52/54/57/439525457.db2.gz FQHRKRCOORCNSW-CKEIUWERSA-N 1 1 335.452 0.919 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533356227 439525460 /nfs/dbraw/zinc/52/54/60/439525460.db2.gz FQHRKRCOORCNSW-CKEIUWERSA-N 1 1 335.452 0.919 20 30 ECEDMO C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000538065532 439543256 /nfs/dbraw/zinc/54/32/56/439543256.db2.gz BOHSPTMWUBGTPL-LBPRGKRZSA-N 1 1 346.435 0.906 20 30 ECEDMO C[C@H](CNC(=O)CNc1ccc(C#N)cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594404064 439556310 /nfs/dbraw/zinc/55/63/10/439556310.db2.gz QSZHANDVSDSIDJ-MCIONIFRSA-N 1 1 331.420 0.979 20 30 ECEDMO C[C@H](CNC(=O)CNc1ccc(C#N)cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594404064 439556315 /nfs/dbraw/zinc/55/63/15/439556315.db2.gz QSZHANDVSDSIDJ-MCIONIFRSA-N 1 1 331.420 0.979 20 30 ECEDMO C=CCSCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000609686263 439585995 /nfs/dbraw/zinc/58/59/95/439585995.db2.gz XDVWYCMQHCXPPG-OAHLLOKOSA-N 1 1 342.509 0.611 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419024 439589030 /nfs/dbraw/zinc/58/90/30/439589030.db2.gz SMAVYCYEFSNUSZ-CVEARBPZSA-N 1 1 334.420 0.345 20 30 ECEDMO COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419024 439589035 /nfs/dbraw/zinc/58/90/35/439589035.db2.gz SMAVYCYEFSNUSZ-CVEARBPZSA-N 1 1 334.420 0.345 20 30 ECEDMO COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419024 439589040 /nfs/dbraw/zinc/58/90/40/439589040.db2.gz SMAVYCYEFSNUSZ-CVEARBPZSA-N 1 1 334.420 0.345 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000610002927 439595553 /nfs/dbraw/zinc/59/55/53/439595553.db2.gz RFKMLNQBJUFDGW-LSDHHAIUSA-N 1 1 338.452 0.573 20 30 ECEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610391171 439611871 /nfs/dbraw/zinc/61/18/71/439611871.db2.gz ZXQRAHPEXQQIKV-GJZGRUSLSA-N 1 1 336.396 0.318 20 30 ECEDMO N#CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000610788269 439647699 /nfs/dbraw/zinc/64/76/99/439647699.db2.gz TVKZIQXVLKUADF-SJORKVTESA-N 1 1 349.479 0.917 20 30 ECEDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000595111405 439654442 /nfs/dbraw/zinc/65/44/42/439654442.db2.gz KDPCCJIAIYHYFS-CQSZACIVSA-N 1 1 337.401 0.225 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610906523 439655706 /nfs/dbraw/zinc/65/57/06/439655706.db2.gz JXTZYLPIELSFQJ-IUODEOHRSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610906523 439655711 /nfs/dbraw/zinc/65/57/11/439655711.db2.gz JXTZYLPIELSFQJ-IUODEOHRSA-N 1 1 330.388 0.641 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586846015 439663378 /nfs/dbraw/zinc/66/33/78/439663378.db2.gz LVMYZFKKXMNPNV-UHFFFAOYSA-N 1 1 329.335 0.635 20 30 ECEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600807638 439703743 /nfs/dbraw/zinc/70/37/43/439703743.db2.gz JKIZUHYZUVKPAS-ZDUSSCGKSA-N 1 1 332.404 0.391 20 30 ECEDMO C[C@@H]1C[N@H+](CCN2CCN(c3nccnc3C#N)C[C@H]2C)C[C@H](C)O1 ZINC000595338464 439707378 /nfs/dbraw/zinc/70/73/78/439707378.db2.gz ILPDXHJCGHBTEG-OAGGEKHMSA-N 1 1 344.463 0.968 20 30 ECEDMO CO[C@H](C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C)[C@H]1CCOC1 ZINC000595337883 439707518 /nfs/dbraw/zinc/70/75/18/439707518.db2.gz CIODJOYIJUTIOR-IJEWVQPXSA-N 1 1 331.420 0.910 20 30 ECEDMO N#CCCN1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000611173771 439677518 /nfs/dbraw/zinc/67/75/18/439677518.db2.gz JXTAUQOTTOPMRC-UHFFFAOYSA-N 1 1 338.433 0.244 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000613790145 439763994 /nfs/dbraw/zinc/76/39/94/439763994.db2.gz KKEURZFUWWFILZ-HIFRSBDPSA-N 1 1 325.453 0.761 20 30 ECEDMO CC1(C)CN(C[C@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1CCO ZINC000614920403 439790292 /nfs/dbraw/zinc/79/02/92/439790292.db2.gz IASPCMPXKVNFEL-KRWDZBQOSA-N 1 1 347.459 0.881 20 30 ECEDMO CC1(C)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CCO ZINC000614920403 439790293 /nfs/dbraw/zinc/79/02/93/439790293.db2.gz IASPCMPXKVNFEL-KRWDZBQOSA-N 1 1 347.459 0.881 20 30 ECEDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CCO ZINC000614920403 439790294 /nfs/dbraw/zinc/79/02/94/439790294.db2.gz IASPCMPXKVNFEL-KRWDZBQOSA-N 1 1 347.459 0.881 20 30 ECEDMO N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC000615628128 439803586 /nfs/dbraw/zinc/80/35/86/439803586.db2.gz PVIKBICPQFPTFR-HNNXBMFYSA-N 1 1 328.307 0.670 20 30 ECEDMO C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000658529628 439979056 /nfs/dbraw/zinc/97/90/56/439979056.db2.gz DOELZFDLOXTYKC-HNNXBMFYSA-N 1 1 337.464 0.716 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000653520955 440196530 /nfs/dbraw/zinc/19/65/30/440196530.db2.gz JMUPDJAGYYJFDS-YIYPIFLZSA-N 1 1 325.409 0.607 20 30 ECEDMO C=CCOC[C@H]1NC(=O)N(C[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1=O ZINC000653520955 440196541 /nfs/dbraw/zinc/19/65/41/440196541.db2.gz JMUPDJAGYYJFDS-YIYPIFLZSA-N 1 1 325.409 0.607 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000648721506 440313700 /nfs/dbraw/zinc/31/37/00/440313700.db2.gz SRUGRNPWGQXEMG-HNNXBMFYSA-N 1 1 347.463 0.843 20 30 ECEDMO C=C[C@@](C)(O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000666939420 440714751 /nfs/dbraw/zinc/71/47/51/440714751.db2.gz XGLKWHJZZZHKDO-GOSISDBHSA-N 1 1 331.416 0.879 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)C1 ZINC000189575150 533702001 /nfs/dbraw/zinc/70/20/01/533702001.db2.gz YHQUSCGAIVSVJY-INMHGKMJSA-N 1 1 333.432 0.685 20 30 ECEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078006106 782120197 /nfs/dbraw/zinc/12/01/97/782120197.db2.gz SIQJFGIESXETPN-YNEHKIRRSA-N 1 1 346.269 0.398 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC001041756156 782136039 /nfs/dbraw/zinc/13/60/39/782136039.db2.gz YMXAYPWHCMHXID-GOSISDBHSA-N 1 1 328.416 0.418 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(-n4cncn4)n3)C2)C1 ZINC001041766004 782158597 /nfs/dbraw/zinc/15/85/97/782158597.db2.gz WYQKWFVLTJZMSX-SFHVURJKSA-N 1 1 336.399 0.834 20 30 ECEDMO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000178098004 527444397 /nfs/dbraw/zinc/44/43/97/527444397.db2.gz DHVDUPRYROSKGF-MRXNPFEDSA-N 1 1 341.411 0.787 20 30 ECEDMO CC(C)COC[C@@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000154901586 528101759 /nfs/dbraw/zinc/10/17/59/528101759.db2.gz FXABNZZMDOUGNG-CABCVRRESA-N 1 1 333.436 0.892 20 30 ECEDMO CC(C)COC[C@@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000154901586 528101762 /nfs/dbraw/zinc/10/17/62/528101762.db2.gz FXABNZZMDOUGNG-CABCVRRESA-N 1 1 333.436 0.892 20 30 ECEDMO COCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 ZINC000329208786 546017082 /nfs/dbraw/zinc/01/70/82/546017082.db2.gz BVLAXBOJMPZQHK-BFHYXJOUSA-N 1 1 337.420 0.839 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000329364725 546020905 /nfs/dbraw/zinc/02/09/05/546020905.db2.gz JRBMZCDFFRNEPR-CHWSQXEVSA-N 1 1 339.465 0.676 20 30 ECEDMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)CC1(C#N)CC1 ZINC000330170578 546039685 /nfs/dbraw/zinc/03/96/85/546039685.db2.gz DUMAZVXMIWVFNI-ZDUSSCGKSA-N 1 1 327.450 0.805 20 30 ECEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)CC1(C#N)CC1 ZINC000330170578 546039691 /nfs/dbraw/zinc/03/96/91/546039691.db2.gz DUMAZVXMIWVFNI-ZDUSSCGKSA-N 1 1 327.450 0.805 20 30 ECEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC(=O)NCC#N)cc2)C[C@@H](C)O1 ZINC000343513716 546098011 /nfs/dbraw/zinc/09/80/11/546098011.db2.gz BNGPGZBFIQAUNN-ZIAGYGMSSA-N 1 1 344.415 0.665 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000619708616 546359092 /nfs/dbraw/zinc/35/90/92/546359092.db2.gz DPSUPLVLEPXOJY-LSDHHAIUSA-N 1 1 344.481 0.509 20 30 ECEDMO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000619749421 546365925 /nfs/dbraw/zinc/36/59/25/546365925.db2.gz SLZOZYPZUILDRF-LSDHHAIUSA-N 1 1 344.481 0.652 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)c2ccc(NS(C)(=O)=O)nc2)CC1 ZINC000625321748 547069344 /nfs/dbraw/zinc/06/93/44/547069344.db2.gz OHHOKISVHBCDBQ-UHFFFAOYSA-N 1 1 338.433 0.833 20 30 ECEDMO COC[C@@H]1C[C@@H](O)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625511686 547129001 /nfs/dbraw/zinc/12/90/01/547129001.db2.gz IZXYLTGFPGGIRC-UONOGXRCSA-N 1 1 328.368 0.368 20 30 ECEDMO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039871 547276325 /nfs/dbraw/zinc/27/63/25/547276325.db2.gz QVLCKIDHEJVEPE-BETUJISGSA-N 1 1 325.368 0.482 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2O)cn1 ZINC001078032444 782179383 /nfs/dbraw/zinc/17/93/83/782179383.db2.gz OLGFLVZHYVQUFK-HUUCEWRRSA-N 1 1 335.354 0.883 20 30 ECEDMO C=CCNS(=O)(=O)c1cc(C(=O)NCC[NH+]2CCC2)ccc1F ZINC000752294697 579382800 /nfs/dbraw/zinc/38/28/00/579382800.db2.gz LEWMBXPHODEQCM-UHFFFAOYSA-N 1 1 341.408 0.726 20 30 ECEDMO Cn1cc[nH+]c1[C@H]1CCN(c2cccc(S(N)(=O)=O)c2C#N)C1 ZINC000755026572 579427887 /nfs/dbraw/zinc/42/78/87/579427887.db2.gz LXVBMFGFBGPPMD-NSHDSACASA-N 1 1 331.401 0.933 20 30 ECEDMO N#CCOc1ccccc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000728077910 578287271 /nfs/dbraw/zinc/28/72/71/578287271.db2.gz PYZVBSRHUXHMOO-CQSZACIVSA-N 1 1 344.415 0.906 20 30 ECEDMO C#Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000728966510 578292065 /nfs/dbraw/zinc/29/20/65/578292065.db2.gz ACZWGDQNCWGGBP-INIZCTEOSA-N 1 1 328.416 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000730098591 578303262 /nfs/dbraw/zinc/30/32/62/578303262.db2.gz KKCCYQIKLVQWDH-INIZCTEOSA-N 1 1 331.391 0.698 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000730098591 578303263 /nfs/dbraw/zinc/30/32/63/578303263.db2.gz KKCCYQIKLVQWDH-INIZCTEOSA-N 1 1 331.391 0.698 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccn2C)CC1 ZINC000730278095 578304496 /nfs/dbraw/zinc/30/44/96/578304496.db2.gz LFVYVHGQNCKATR-INIZCTEOSA-N 1 1 328.416 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccn2C)CC1 ZINC000730278095 578304497 /nfs/dbraw/zinc/30/44/97/578304497.db2.gz LFVYVHGQNCKATR-INIZCTEOSA-N 1 1 328.416 0.407 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nccn2C)CC1 ZINC000730285993 578304719 /nfs/dbraw/zinc/30/47/19/578304719.db2.gz SYUQRWBNLSVRIL-INIZCTEOSA-N 1 1 329.448 0.552 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2nccn2C)CC1 ZINC000730285993 578304720 /nfs/dbraw/zinc/30/47/20/578304720.db2.gz SYUQRWBNLSVRIL-INIZCTEOSA-N 1 1 329.448 0.552 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](CC)CC2CCC2)c1=O ZINC000794681379 578597933 /nfs/dbraw/zinc/59/79/33/578597933.db2.gz BXMWFMNCJNIPMU-UHFFFAOYSA-N 1 1 334.420 0.623 20 30 ECEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)n2cnc(C#N)n2)cn1 ZINC000798924439 578654365 /nfs/dbraw/zinc/65/43/65/578654365.db2.gz XTHNQRCAWOEDFL-LLVKDONJSA-N 1 1 336.359 0.916 20 30 ECEDMO COc1cc2c(cc1OC)C(=NNCCC[NH+]1CCOCC1)C(=O)N2 ZINC000799489115 578666294 /nfs/dbraw/zinc/66/62/94/578666294.db2.gz NHTQUMZVYANQPU-UHFFFAOYSA-N 1 1 348.403 0.672 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1)C1CC1 ZINC000788472440 578837920 /nfs/dbraw/zinc/83/79/20/578837920.db2.gz PRKBHIZKGKPQSR-RDJZCZTQSA-N 1 1 331.420 0.964 20 30 ECEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1)C1CC1 ZINC000788472442 578837982 /nfs/dbraw/zinc/83/79/82/578837982.db2.gz PRKBHIZKGKPQSR-WBVHZDCISA-N 1 1 331.420 0.964 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000789122539 578848631 /nfs/dbraw/zinc/84/86/31/578848631.db2.gz KMNIFSHZIYHVBY-HOCLYGCPSA-N 1 1 333.436 0.767 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000789122539 578848632 /nfs/dbraw/zinc/84/86/32/578848632.db2.gz KMNIFSHZIYHVBY-HOCLYGCPSA-N 1 1 333.436 0.767 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC000766247625 579083531 /nfs/dbraw/zinc/08/35/31/579083531.db2.gz MWYUMTIJVHPROJ-JJLJGCLUSA-N 1 1 349.435 0.637 20 30 ECEDMO CC(=O)N1CC[C@@H](C[N@@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766630976 579090378 /nfs/dbraw/zinc/09/03/78/579090378.db2.gz CBJOIRRARDRVGR-AWEZNQCLSA-N 1 1 328.416 0.966 20 30 ECEDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766630976 579090379 /nfs/dbraw/zinc/09/03/79/579090379.db2.gz CBJOIRRARDRVGR-AWEZNQCLSA-N 1 1 328.416 0.966 20 30 ECEDMO N#Cc1ccc(C[NH2+]CCS(=O)(=O)N2CCOCC2)c(F)c1 ZINC000772925383 579217319 /nfs/dbraw/zinc/21/73/19/579217319.db2.gz AAEIUCDUPFQJAG-UHFFFAOYSA-N 1 1 327.381 0.449 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000773526949 579228555 /nfs/dbraw/zinc/22/85/55/579228555.db2.gz AJWJDNJCJMSGLN-HNNXBMFYSA-N 1 1 327.384 0.273 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@@H](C)[C@@H]2CC)c1=O ZINC000774618029 579252269 /nfs/dbraw/zinc/25/22/69/579252269.db2.gz HYWLPROYJWKFDE-KGLIPLIRSA-N 1 1 334.420 0.622 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@H](C3CC3)C2)c1=O ZINC000763330163 579558777 /nfs/dbraw/zinc/55/87/77/579558777.db2.gz BYSWHHNOZJWLSV-AWEZNQCLSA-N 1 1 332.404 0.233 20 30 ECEDMO C#CCNC(=O)CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000764382243 579575553 /nfs/dbraw/zinc/57/55/53/579575553.db2.gz HXSCTLKIWLJLFC-UHFFFAOYSA-N 1 1 348.491 0.440 20 30 ECEDMO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[N@H+]1CCCC[C@@H]1C ZINC000746353848 579836688 /nfs/dbraw/zinc/83/66/88/579836688.db2.gz LHFPMQZXEYJQCU-STQMWFEESA-N 1 1 332.408 0.724 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)c2cccn2C)CC1 ZINC000836488103 588931687 /nfs/dbraw/zinc/93/16/87/588931687.db2.gz LJKSKXYZXUFDMH-UHFFFAOYSA-N 1 1 345.447 0.448 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)nc1 ZINC000837565565 588955384 /nfs/dbraw/zinc/95/53/84/588955384.db2.gz DANPTRMCFFMXSB-OAHLLOKOSA-N 1 1 346.435 0.511 20 30 ECEDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCNc1ccc(C#N)cn1 ZINC000837569560 588955713 /nfs/dbraw/zinc/95/57/13/588955713.db2.gz YTVRMRPIDAPWGD-ZDUSSCGKSA-N 1 1 332.408 0.073 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCNc1ccc(C#N)cn1 ZINC000837569560 588955714 /nfs/dbraw/zinc/95/57/14/588955714.db2.gz YTVRMRPIDAPWGD-ZDUSSCGKSA-N 1 1 332.408 0.073 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896237547 586230868 /nfs/dbraw/zinc/23/08/68/586230868.db2.gz PCWRCTDZAOTYMB-HNNXBMFYSA-N 1 1 338.452 0.479 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC000896488571 586243621 /nfs/dbraw/zinc/24/36/21/586243621.db2.gz IFCFVAHYFVTKRA-UONOGXRCSA-N 1 1 344.419 0.158 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC000896488571 586243622 /nfs/dbraw/zinc/24/36/22/586243622.db2.gz IFCFVAHYFVTKRA-UONOGXRCSA-N 1 1 344.419 0.158 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCO[C@](C)(C#N)C2)CC1 ZINC000893237655 586318521 /nfs/dbraw/zinc/31/85/21/586318521.db2.gz IOPWPIABXWEUSV-NVXWUHKLSA-N 1 1 337.468 0.584 20 30 ECEDMO COCC[NH+](CCOC)C1CN(C(=O)COc2ccccc2C#N)C1 ZINC000898258122 586411673 /nfs/dbraw/zinc/41/16/73/586411673.db2.gz GMBVRICWCXWNGK-UHFFFAOYSA-N 1 1 347.415 0.743 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000838623210 586819283 /nfs/dbraw/zinc/81/92/83/586819283.db2.gz VHOGFNQKIRVMCI-AWEZNQCLSA-N 1 1 334.445 0.886 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000838623238 586819395 /nfs/dbraw/zinc/81/93/95/586819395.db2.gz XAZXJCLHPPKINA-LBPRGKRZSA-N 1 1 348.369 0.746 20 30 ECEDMO C#C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000839563043 586880681 /nfs/dbraw/zinc/88/06/81/586880681.db2.gz FNGXIUHRRMJRJA-STQMWFEESA-N 1 1 331.434 0.513 20 30 ECEDMO C=CCSCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000803209016 587055919 /nfs/dbraw/zinc/05/59/19/587055919.db2.gz JWRGZBCFUMQLNX-CHWSQXEVSA-N 1 1 327.450 0.001 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCCO1 ZINC000809313956 587175172 /nfs/dbraw/zinc/17/51/72/587175172.db2.gz WNHDUZYYKOEONM-RRFJBIMHSA-N 1 1 335.448 0.520 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000809405810 587177082 /nfs/dbraw/zinc/17/70/82/587177082.db2.gz SBSOHSVHRUUTOR-KWQFWETISA-N 1 1 330.226 0.610 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000809405809 587177236 /nfs/dbraw/zinc/17/72/36/587177236.db2.gz SBSOHSVHRUUTOR-KCJUWKMLSA-N 1 1 330.226 0.610 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000809707239 587181972 /nfs/dbraw/zinc/18/19/72/587181972.db2.gz DYIKNRSLUYBACP-SNVBAGLBSA-N 1 1 330.226 0.778 20 30 ECEDMO C[C@@H](O)C[N@@H+](CCO)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000810040359 587188314 /nfs/dbraw/zinc/18/83/14/587188314.db2.gz QJZDVMLQWRBWAY-OCCSQVGLSA-N 1 1 340.383 0.899 20 30 ECEDMO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1csc(N)n1 ZINC000812393801 587236923 /nfs/dbraw/zinc/23/69/23/587236923.db2.gz INKAXFVZLNEQOE-UHFFFAOYSA-N 1 1 342.494 0.636 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000812872758 587244427 /nfs/dbraw/zinc/24/44/27/587244427.db2.gz XQTUUDWYZCTUJC-LLVKDONJSA-N 1 1 326.397 0.119 20 30 ECEDMO C=C[C@H](O)C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000814548535 587276866 /nfs/dbraw/zinc/27/68/66/587276866.db2.gz DIYYIRCRNOWKAQ-BPUTZDHNSA-N 1 1 332.400 0.856 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C(=O)NC)(C(F)(F)F)C1 ZINC000844096582 589093703 /nfs/dbraw/zinc/09/37/03/589093703.db2.gz HRSIMCTWDUNICF-SMDDNHRTSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C(=O)NC)(C(F)(F)F)C1 ZINC000844096582 589093704 /nfs/dbraw/zinc/09/37/04/589093704.db2.gz HRSIMCTWDUNICF-SMDDNHRTSA-N 1 1 331.338 0.611 20 30 ECEDMO C[NH+]1CCN([C@H](C(=O)N[C@@H]2CCCN(O)C2=O)c2ccccc2)CC1 ZINC000816758256 587324666 /nfs/dbraw/zinc/32/46/66/587324666.db2.gz LKVYYWWXJIBHLB-CVEARBPZSA-N 1 1 346.431 0.472 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000818986171 587463378 /nfs/dbraw/zinc/46/33/78/587463378.db2.gz HHTOWMBNCNDCCR-YQVWRLOYSA-N 1 1 345.443 0.945 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000818986171 587463380 /nfs/dbraw/zinc/46/33/80/587463380.db2.gz HHTOWMBNCNDCCR-YQVWRLOYSA-N 1 1 345.443 0.945 20 30 ECEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000819744042 587488307 /nfs/dbraw/zinc/48/83/07/587488307.db2.gz UOGYXSHUYMLUCS-HNNXBMFYSA-N 1 1 342.403 0.712 20 30 ECEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000819744042 587488309 /nfs/dbraw/zinc/48/83/09/587488309.db2.gz UOGYXSHUYMLUCS-HNNXBMFYSA-N 1 1 342.403 0.712 20 30 ECEDMO CON=Cc1ccc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cc1 ZINC000820458063 587534681 /nfs/dbraw/zinc/53/46/81/587534681.db2.gz BVRSUBKPEXCPLT-UHFFFAOYSA-N 1 1 330.432 0.986 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CNC(=O)[O-])CC1 ZINC000823455515 587721330 /nfs/dbraw/zinc/72/13/30/587721330.db2.gz DGSPHQUKSRVJFA-LSDHHAIUSA-N 1 1 336.436 0.132 20 30 ECEDMO C#CCN1CCN(C(=O)CN2CCC[C@H](C)[C@H]2CNC(=O)[O-])CC1 ZINC000823455515 587721332 /nfs/dbraw/zinc/72/13/32/587721332.db2.gz DGSPHQUKSRVJFA-LSDHHAIUSA-N 1 1 336.436 0.132 20 30 ECEDMO C=C[C@@H](O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000824244548 587862940 /nfs/dbraw/zinc/86/29/40/587862940.db2.gz IRLFRHPTVBZQBX-CQSZACIVSA-N 1 1 333.388 0.568 20 30 ECEDMO COc1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)ccc1C#N ZINC000827500533 588124210 /nfs/dbraw/zinc/12/42/10/588124210.db2.gz CFQDYHPJDOBTSR-UHFFFAOYSA-N 1 1 330.388 0.461 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827704122 588136200 /nfs/dbraw/zinc/13/62/00/588136200.db2.gz BKGQGMPGHPITLN-ZIAGYGMSSA-N 1 1 341.477 0.391 20 30 ECEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000827707455 588136582 /nfs/dbraw/zinc/13/65/82/588136582.db2.gz PXHVFNZGTKQDQJ-OWCLPIDISA-N 1 1 335.448 0.781 20 30 ECEDMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000829974975 588351495 /nfs/dbraw/zinc/35/14/95/588351495.db2.gz MXGPECCZYQANKF-CJNGLKHVSA-N 1 1 338.408 0.026 20 30 ECEDMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000829974975 588351497 /nfs/dbraw/zinc/35/14/97/588351497.db2.gz MXGPECCZYQANKF-CJNGLKHVSA-N 1 1 338.408 0.026 20 30 ECEDMO C[C@H](C#N)OCC[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000830773965 588385113 /nfs/dbraw/zinc/38/51/13/588385113.db2.gz PPDBOPCGKBTZMV-CYBMUJFWSA-N 1 1 340.449 0.631 20 30 ECEDMO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000844968172 589127124 /nfs/dbraw/zinc/12/71/24/589127124.db2.gz NJVURXLXVQBYEO-IRXDYDNUSA-N 1 1 345.447 0.479 20 30 ECEDMO C#C[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000847318049 589241867 /nfs/dbraw/zinc/24/18/67/589241867.db2.gz CWLRFXHSZASMCP-IRXDYDNUSA-N 1 1 334.464 0.448 20 30 ECEDMO CN(C)C(=[NH+]CCCCN1CCN(c2ncccn2)CC1)N(C)C ZINC000849068691 589319155 /nfs/dbraw/zinc/31/91/55/589319155.db2.gz GHVCRKOCJWTCEF-UHFFFAOYSA-N 1 1 333.484 0.858 20 30 ECEDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCSC[C@@H]2C#N)cn1 ZINC000849572318 589341284 /nfs/dbraw/zinc/34/12/84/589341284.db2.gz AAXQXMPEWJFMTG-SOUVJXGZSA-N 1 1 333.461 0.923 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000849959317 589354073 /nfs/dbraw/zinc/35/40/73/589354073.db2.gz AFMGGTUCTURNFL-DZGCQCFKSA-N 1 1 339.436 0.553 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OCC)c(C)n1 ZINC000850459676 589367168 /nfs/dbraw/zinc/36/71/68/589367168.db2.gz CNJDSDBHDLTCJY-UHFFFAOYSA-N 1 1 332.404 0.799 20 30 ECEDMO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000850712709 589381568 /nfs/dbraw/zinc/38/15/68/589381568.db2.gz PSNFUEFCWLSKOJ-HOTGVXAUSA-N 1 1 335.448 0.427 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCn2cnc(Br)n2)C1=O ZINC000852007498 589437987 /nfs/dbraw/zinc/43/79/87/589437987.db2.gz NVJLFRDIHHSMRK-JTQLQIEISA-N 1 1 328.214 0.759 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCn2cnc(Br)n2)C1=O ZINC000852007498 589437989 /nfs/dbraw/zinc/43/79/89/589437989.db2.gz NVJLFRDIHHSMRK-JTQLQIEISA-N 1 1 328.214 0.759 20 30 ECEDMO COc1ccnc(N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1 ZINC000852866611 589520017 /nfs/dbraw/zinc/52/00/17/589520017.db2.gz ZXICNTUEAAQXFL-UHFFFAOYSA-N 1 1 328.416 0.742 20 30 ECEDMO COc1ccc(C(N)=[NH+]OC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000853654841 589553691 /nfs/dbraw/zinc/55/36/91/589553691.db2.gz MWVLLICAJBSXAL-LLVKDONJSA-N 1 1 327.406 0.614 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000853877311 589562999 /nfs/dbraw/zinc/56/29/99/589562999.db2.gz UFGFBEUQYYFOOF-ZIAGYGMSSA-N 1 1 339.436 0.692 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000853877311 589563000 /nfs/dbraw/zinc/56/30/00/589563000.db2.gz UFGFBEUQYYFOOF-ZIAGYGMSSA-N 1 1 339.436 0.692 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC000854100762 589571005 /nfs/dbraw/zinc/57/10/05/589571005.db2.gz WHKDZKKIEQKSHT-UHFFFAOYSA-N 1 1 338.415 0.806 20 30 ECEDMO CCN(C(=O)CCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@@H+](CC)C1 ZINC000855492195 589633777 /nfs/dbraw/zinc/63/37/77/589633777.db2.gz WVKFOEBAKOMRHV-CMTMBAJVSA-N 1 1 334.420 0.846 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000856328331 589660306 /nfs/dbraw/zinc/66/03/06/589660306.db2.gz LVGSPQGBUIWKNQ-SJLPKXTDSA-N 1 1 329.444 0.957 20 30 ECEDMO C#CCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000856328331 589660307 /nfs/dbraw/zinc/66/03/07/589660307.db2.gz LVGSPQGBUIWKNQ-SJLPKXTDSA-N 1 1 329.444 0.957 20 30 ECEDMO C#CCCN(CCOC)C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000856388165 589662690 /nfs/dbraw/zinc/66/26/90/589662690.db2.gz MKCWYKRPDZZNQX-IAGOWNOFSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC000856438958 589664619 /nfs/dbraw/zinc/66/46/19/589664619.db2.gz GNDNVSYNWNALGT-ZDUSSCGKSA-N 1 1 339.392 0.187 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC000856438958 589664621 /nfs/dbraw/zinc/66/46/21/589664621.db2.gz GNDNVSYNWNALGT-ZDUSSCGKSA-N 1 1 339.392 0.187 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858355505 589743706 /nfs/dbraw/zinc/74/37/06/589743706.db2.gz LCDKJJSOTBKMOF-CQSZACIVSA-N 1 1 329.466 0.903 20 30 ECEDMO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000858355505 589743709 /nfs/dbraw/zinc/74/37/09/589743709.db2.gz LCDKJJSOTBKMOF-CQSZACIVSA-N 1 1 329.466 0.903 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000858766456 589772789 /nfs/dbraw/zinc/77/27/89/589772789.db2.gz NBKPTRYXYGKPEI-HNNXBMFYSA-N 1 1 334.464 0.889 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867798735 589844801 /nfs/dbraw/zinc/84/48/01/589844801.db2.gz GLUVDJPVFIFALE-ZIAGYGMSSA-N 1 1 325.478 0.965 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000868217652 589881183 /nfs/dbraw/zinc/88/11/83/589881183.db2.gz WWWDCGNFXHVFDU-UHFFFAOYSA-N 1 1 345.447 0.968 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(COC)c(OC)c1 ZINC000861872070 589900662 /nfs/dbraw/zinc/90/06/62/589900662.db2.gz HIGGSLXPVCUPSE-UHFFFAOYSA-N 1 1 347.415 0.851 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)Nc2cc(CC#N)ccn2)CC[N@@H+](C)C1 ZINC000871733810 590085787 /nfs/dbraw/zinc/08/57/87/590085787.db2.gz OHKNNWLKOIKLJU-ZDUSSCGKSA-N 1 1 331.376 0.716 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000874997856 590261717 /nfs/dbraw/zinc/26/17/17/590261717.db2.gz YVHBSKJAMDBSCJ-SJORKVTESA-N 1 1 343.427 0.532 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000875049058 590264939 /nfs/dbraw/zinc/26/49/39/590264939.db2.gz YEVZFAUTOPSNJW-IRXDYDNUSA-N 1 1 338.496 0.986 20 30 ECEDMO C#CC[C@H](COC)NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000875066559 590267206 /nfs/dbraw/zinc/26/72/06/590267206.db2.gz UWPLNRNPFJKBOL-JKSUJKDBSA-N 1 1 337.464 0.769 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000875596840 590312209 /nfs/dbraw/zinc/31/22/09/590312209.db2.gz UNTIAIGHYORFOR-ARFHVFGLSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000875599241 590312650 /nfs/dbraw/zinc/31/26/50/590312650.db2.gz OXMJPLLKPXQLPD-BZUAXINKSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000875598771 590312829 /nfs/dbraw/zinc/31/28/29/590312829.db2.gz KUMPXPQPDDKPPC-JKSUJKDBSA-N 1 1 337.464 0.625 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000875604222 590314237 /nfs/dbraw/zinc/31/42/37/590314237.db2.gz KKSVPKQQTAUWPG-CVEARBPZSA-N 1 1 335.448 0.331 20 30 ECEDMO C#Cc1cccc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000875649942 590318556 /nfs/dbraw/zinc/31/85/56/590318556.db2.gz AOOBXVPPFJYKCL-INIZCTEOSA-N 1 1 328.416 0.807 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000879580701 590325121 /nfs/dbraw/zinc/32/51/21/590325121.db2.gz JIIRZWUHEZGNSU-SQNIBIBYSA-N 1 1 347.507 0.705 20 30 ECEDMO C[C@H]1NC(=O)N(CC[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1=O ZINC000879927402 590351297 /nfs/dbraw/zinc/35/12/97/590351297.db2.gz VEBALVSOZYIWGF-GFCCVEGCSA-N 1 1 328.376 0.016 20 30 ECEDMO COC(=O)c1cccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1C#N ZINC000880072252 590365560 /nfs/dbraw/zinc/36/55/60/590365560.db2.gz YIMFUGBHSUOKMZ-LSDHHAIUSA-N 1 1 329.400 0.986 20 30 ECEDMO CN(C(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)C1(C#N)CCCCC1 ZINC000880071434 590366026 /nfs/dbraw/zinc/36/60/26/590366026.db2.gz ZKLWCYYTZOMCCC-JKSUJKDBSA-N 1 1 334.464 0.812 20 30 ECEDMO N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000876660658 590395822 /nfs/dbraw/zinc/39/58/22/590395822.db2.gz XPDMAFIZRCAUNK-ZFWWWQNUSA-N 1 1 333.413 0.438 20 30 ECEDMO C=CC[C@H](C)[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000877956529 590488950 /nfs/dbraw/zinc/48/89/50/590488950.db2.gz RKAWBJYYLJWLIO-RRFJBIMHSA-N 1 1 331.482 0.923 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000129601704 590545071 /nfs/dbraw/zinc/54/50/71/590545071.db2.gz QXHOGXSISQTUGH-MJBXVCDLSA-N 1 1 326.441 0.428 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+]2CC)c1 ZINC000882481176 590553450 /nfs/dbraw/zinc/55/34/50/590553450.db2.gz QBWYDROMEMFARV-CQSZACIVSA-N 1 1 335.429 0.422 20 30 ECEDMO C=C(C)C[C@H](CO)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000883374107 590614567 /nfs/dbraw/zinc/61/45/67/590614567.db2.gz QAVDOMMTGCOETD-CQSZACIVSA-N 1 1 326.441 0.165 20 30 ECEDMO COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000883647878 590642209 /nfs/dbraw/zinc/64/22/09/590642209.db2.gz HJVASXKTCGHTCB-XJKSGUPXSA-N 1 1 344.415 0.786 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883713693 590654695 /nfs/dbraw/zinc/65/46/95/590654695.db2.gz UNXOTKBRVYCJIU-UHFFFAOYSA-N 1 1 336.480 0.884 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)N2CCOCC2)C1 ZINC000884046768 590716449 /nfs/dbraw/zinc/71/64/49/590716449.db2.gz RNHAISADTGFNEK-IAGOWNOFSA-N 1 1 336.480 0.740 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)N2CCOCC2)C1 ZINC000884046768 590716452 /nfs/dbraw/zinc/71/64/52/590716452.db2.gz RNHAISADTGFNEK-IAGOWNOFSA-N 1 1 336.480 0.740 20 30 ECEDMO N#CC1(C[C@H](O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)CCC1 ZINC000885933395 590782189 /nfs/dbraw/zinc/78/21/89/590782189.db2.gz SIKIIZAZHROGFE-INIZCTEOSA-N 1 1 334.464 0.671 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886043333 590789084 /nfs/dbraw/zinc/78/90/84/590789084.db2.gz AFGARMRKSCZJFM-HZPDHXFCSA-N 1 1 334.464 0.670 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000884255920 590789547 /nfs/dbraw/zinc/78/95/47/590789547.db2.gz PRFTTZABALAXCF-SOUVJXGZSA-N 1 1 336.436 0.019 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000884255920 590789551 /nfs/dbraw/zinc/78/95/51/590789551.db2.gz PRFTTZABALAXCF-SOUVJXGZSA-N 1 1 336.436 0.019 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000884328620 590806556 /nfs/dbraw/zinc/80/65/56/590806556.db2.gz UQGJTGQKAGWVJV-CWRNSKLLSA-N 1 1 335.448 0.908 20 30 ECEDMO NC(=O)CNC(=S)NN=C1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000884429509 590825762 /nfs/dbraw/zinc/82/57/62/590825762.db2.gz LJRRCMBFFQWHDY-ZFWWWQNUSA-N 1 1 345.472 0.976 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000890011630 591118756 /nfs/dbraw/zinc/11/87/56/591118756.db2.gz ZJACERSRWDEQGK-FZMZJTMJSA-N 1 1 327.388 0.685 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](N3CCNC3=O)C2)C1 ZINC000890363595 591152198 /nfs/dbraw/zinc/15/21/98/591152198.db2.gz QAXPOSBGFPVJMT-LSDHHAIUSA-N 1 1 333.436 0.283 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](N3CCNC3=O)C2)C1 ZINC000890363595 591152201 /nfs/dbraw/zinc/15/22/01/591152201.db2.gz QAXPOSBGFPVJMT-LSDHHAIUSA-N 1 1 333.436 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](O)COc2ccc(F)cc2)C1 ZINC000890374849 591154344 /nfs/dbraw/zinc/15/43/44/591154344.db2.gz NAMNNVZHNAULOQ-HZPDHXFCSA-N 1 1 349.406 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](O)COc2ccc(F)cc2)C1 ZINC000890374849 591154346 /nfs/dbraw/zinc/15/43/46/591154346.db2.gz NAMNNVZHNAULOQ-HZPDHXFCSA-N 1 1 349.406 0.962 20 30 ECEDMO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000922824972 611361471 /nfs/dbraw/zinc/36/14/71/611361471.db2.gz XMEPJUBABLPJCD-NSHDSACASA-N 1 1 331.821 0.847 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)CC[C@@H]2C1 ZINC000946612508 611363815 /nfs/dbraw/zinc/36/38/15/611363815.db2.gz LHOXFBZNZBWYJO-KFWWJZLASA-N 1 1 333.432 0.880 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C[C@]2(C)C1 ZINC000929927156 611368027 /nfs/dbraw/zinc/36/80/27/611368027.db2.gz QHJRINJHOMPFGE-KDOFPFPSSA-N 1 1 344.390 0.724 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2CC1 ZINC000946628588 611373973 /nfs/dbraw/zinc/37/39/73/611373973.db2.gz ZICFYMBMSFZOAH-NXOAAHMSSA-N 1 1 346.475 0.128 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)CC[C@@H]2C1 ZINC000946649318 611388134 /nfs/dbraw/zinc/38/81/34/611388134.db2.gz USYYFIZLEBKZJG-CALCHBBNSA-N 1 1 348.491 0.507 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)CC[C@@H]2C1 ZINC000946664508 611401233 /nfs/dbraw/zinc/40/12/33/611401233.db2.gz WCTNWFKVMWHTSJ-GASCZTMLSA-N 1 1 342.443 0.931 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC000946668011 611403683 /nfs/dbraw/zinc/40/36/83/611403683.db2.gz LMNDBPVWAAKGFD-OWCLPIDISA-N 1 1 338.473 0.615 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC[C@@H]2C1 ZINC000946668102 611403690 /nfs/dbraw/zinc/40/36/90/611403690.db2.gz POQQVOCJVWRQFE-BBWFWOEESA-N 1 1 346.475 0.971 20 30 ECEDMO CS(=O)(=O)N1CC(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000930332174 611412931 /nfs/dbraw/zinc/41/29/31/611412931.db2.gz BONQZAUZOAPJMM-UHFFFAOYSA-N 1 1 334.445 0.830 20 30 ECEDMO O=C(C#CC1CC1)N1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000946699390 611422564 /nfs/dbraw/zinc/42/25/64/611422564.db2.gz OEROGLTZOWUWFU-DLBZAZTESA-N 1 1 345.443 0.370 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000948202392 611465874 /nfs/dbraw/zinc/46/58/74/611465874.db2.gz VXVOYTKNDYFYNB-KCPJHIHWSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@@H](Cc3ccccc3O)C2=O)C1 ZINC000925315332 611467931 /nfs/dbraw/zinc/46/79/31/611467931.db2.gz BZCMKIOGQSSPIO-GJZGRUSLSA-N 1 1 327.384 0.953 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H](Cc3ccccc3O)C2=O)C1 ZINC000925315332 611467935 /nfs/dbraw/zinc/46/79/35/611467935.db2.gz BZCMKIOGQSSPIO-GJZGRUSLSA-N 1 1 327.384 0.953 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnnn4CC3)CC[C@@H]2C1 ZINC000946790275 611479529 /nfs/dbraw/zinc/47/95/29/611479529.db2.gz DPLXLORHDVTRDA-OAGGEKHMSA-N 1 1 344.463 0.982 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947369408 611501546 /nfs/dbraw/zinc/50/15/46/611501546.db2.gz LURQQOLXLMZIAR-KGLIPLIRSA-N 1 1 327.450 0.014 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2[nH]cnc2C)CC1 ZINC000947381725 611507766 /nfs/dbraw/zinc/50/77/66/611507766.db2.gz GETGFTKTRTUXAN-HNNXBMFYSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2[nH]cnc2C)CC1 ZINC000947381725 611507767 /nfs/dbraw/zinc/50/77/67/611507767.db2.gz GETGFTKTRTUXAN-HNNXBMFYSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC1(O)CC[NH+]([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000931146900 611511312 /nfs/dbraw/zinc/51/13/12/611511312.db2.gz MLRFHJFEMMQFRH-HUUCEWRRSA-N 1 1 344.411 0.791 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC000947450066 611542330 /nfs/dbraw/zinc/54/23/30/611542330.db2.gz NJGXFBOHKRXADQ-ZFWWWQNUSA-N 1 1 328.416 0.715 20 30 ECEDMO N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000931592074 611551769 /nfs/dbraw/zinc/55/17/69/611551769.db2.gz HTOYABYZVCPNEJ-UHFFFAOYSA-N 1 1 344.390 0.868 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C ZINC000948382353 611557501 /nfs/dbraw/zinc/55/75/01/611557501.db2.gz UMABGBNXIIKCLZ-FMKPAKJESA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C ZINC000948382353 611557503 /nfs/dbraw/zinc/55/75/03/611557503.db2.gz UMABGBNXIIKCLZ-FMKPAKJESA-N 1 1 343.431 0.094 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1C ZINC000947497550 611566764 /nfs/dbraw/zinc/56/67/64/611566764.db2.gz JIWXAVDZNQDBPZ-RYUDHWBXSA-N 1 1 339.417 0.533 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931820089 611572084 /nfs/dbraw/zinc/57/20/84/611572084.db2.gz LDQJBELWDZXZQB-KBPBESRZSA-N 1 1 341.477 0.343 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000931820089 611572085 /nfs/dbraw/zinc/57/20/85/611572085.db2.gz LDQJBELWDZXZQB-KBPBESRZSA-N 1 1 341.477 0.343 20 30 ECEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931873480 611578884 /nfs/dbraw/zinc/57/88/84/611578884.db2.gz ORBGDOOGOVFQRU-MRXNPFEDSA-N 1 1 326.400 0.893 20 30 ECEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931873480 611578887 /nfs/dbraw/zinc/57/88/87/611578887.db2.gz ORBGDOOGOVFQRU-MRXNPFEDSA-N 1 1 326.400 0.893 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000948412889 611579861 /nfs/dbraw/zinc/57/98/61/611579861.db2.gz CWYJPESNNNRBQA-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000948413770 611581122 /nfs/dbraw/zinc/58/11/22/611581122.db2.gz PSHSOCTZSVROGD-ZDUSSCGKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)Cn1cncn1)CCO2 ZINC000949241541 608594943 /nfs/dbraw/zinc/59/49/43/608594943.db2.gz DGACMJBBRTUTAH-UHFFFAOYSA-N 1 1 339.827 0.724 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947368849 608598332 /nfs/dbraw/zinc/59/83/32/608598332.db2.gz BJOBLVIOIADJFI-HUUCEWRRSA-N 1 1 343.493 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)SC ZINC000936469721 608648994 /nfs/dbraw/zinc/64/89/94/608648994.db2.gz ORMTVYUBYKYFLR-QPSCCSFWSA-N 1 1 335.473 0.647 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)SC ZINC000936469721 608648996 /nfs/dbraw/zinc/64/89/96/608648996.db2.gz ORMTVYUBYKYFLR-QPSCCSFWSA-N 1 1 335.473 0.647 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cc3cncnc3)CC2)C1 ZINC000949352286 608649236 /nfs/dbraw/zinc/64/92/36/608649236.db2.gz RTFAZWKKEMQPJI-UHFFFAOYSA-N 1 1 328.416 0.736 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)C1 ZINC000949383102 608662178 /nfs/dbraw/zinc/66/21/78/608662178.db2.gz VZQXDVPHXWUFKW-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)C1 ZINC000949383102 608662179 /nfs/dbraw/zinc/66/21/79/608662179.db2.gz VZQXDVPHXWUFKW-HNNXBMFYSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)cn3C)CC2)C1 ZINC000949408907 608670892 /nfs/dbraw/zinc/67/08/92/608670892.db2.gz OJQSGUYLHYTYGS-UHFFFAOYSA-N 1 1 346.431 0.617 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)cn3C)CC2)C1 ZINC000949408907 608670896 /nfs/dbraw/zinc/67/08/96/608670896.db2.gz OJQSGUYLHYTYGS-UHFFFAOYSA-N 1 1 346.431 0.617 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC000949433294 608677245 /nfs/dbraw/zinc/67/72/45/608677245.db2.gz NENRVXAVSXDSIE-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 ZINC000949441227 608679803 /nfs/dbraw/zinc/67/98/03/608679803.db2.gz PGYBOAIYSBHPNP-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC000949518365 608732956 /nfs/dbraw/zinc/73/29/56/608732956.db2.gz URUHUHWIFUDYCB-UHFFFAOYSA-N 1 1 341.415 0.993 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC000949518365 608732959 /nfs/dbraw/zinc/73/29/59/608732959.db2.gz URUHUHWIFUDYCB-UHFFFAOYSA-N 1 1 341.415 0.993 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC000947464111 608763931 /nfs/dbraw/zinc/76/39/31/608763931.db2.gz RAENHOKXFBXHAS-KGLIPLIRSA-N 1 1 342.871 0.482 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC000947464111 608763932 /nfs/dbraw/zinc/76/39/32/608763932.db2.gz RAENHOKXFBXHAS-KGLIPLIRSA-N 1 1 342.871 0.482 20 30 ECEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CC[C@@H]2CO)CC1 ZINC000934017922 608787887 /nfs/dbraw/zinc/78/78/87/608787887.db2.gz UCZVNOYKZFAGTQ-SJORKVTESA-N 1 1 346.406 0.601 20 30 ECEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]2CO)CC1 ZINC000934017922 608787891 /nfs/dbraw/zinc/78/78/91/608787891.db2.gz UCZVNOYKZFAGTQ-SJORKVTESA-N 1 1 346.406 0.601 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000948583603 611660885 /nfs/dbraw/zinc/66/08/85/611660885.db2.gz VRXSLPMNMUDAHV-GFCCVEGCSA-N 1 1 339.417 0.487 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000947229645 608792847 /nfs/dbraw/zinc/79/28/47/608792847.db2.gz GHDZPDYNAXAJJN-RDJZCZTQSA-N 1 1 346.475 0.143 20 30 ECEDMO N#CC1(NC(=O)CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCCCC1 ZINC000934252965 608804322 /nfs/dbraw/zinc/80/43/22/608804322.db2.gz RQJPSPZBCDXART-HOTGVXAUSA-N 1 1 334.464 0.860 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccon2)CC1 ZINC000947230052 608810883 /nfs/dbraw/zinc/81/08/83/608810883.db2.gz LLKSLKQFMHDBTQ-HNNXBMFYSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccon2)CC1 ZINC000947230052 608810885 /nfs/dbraw/zinc/81/08/85/608810885.db2.gz LLKSLKQFMHDBTQ-HNNXBMFYSA-N 1 1 330.388 0.493 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)[C@H](C)C2)c1 ZINC000947711289 611662940 /nfs/dbraw/zinc/66/29/40/611662940.db2.gz UXSNLUPWPRSWKC-CZUORRHYSA-N 1 1 328.416 0.734 20 30 ECEDMO C#C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000934510482 608830053 /nfs/dbraw/zinc/83/00/53/608830053.db2.gz JBDWEAZNBZQYJP-MRXNPFEDSA-N 1 1 348.491 0.533 20 30 ECEDMO C#C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000934510482 608830056 /nfs/dbraw/zinc/83/00/56/608830056.db2.gz JBDWEAZNBZQYJP-MRXNPFEDSA-N 1 1 348.491 0.533 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000948598713 611665981 /nfs/dbraw/zinc/66/59/81/611665981.db2.gz MDEBLSLUZVYNLZ-GJZGRUSLSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000948598713 611665982 /nfs/dbraw/zinc/66/59/82/611665982.db2.gz MDEBLSLUZVYNLZ-GJZGRUSLSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C[C@@H]1C ZINC000947730268 611668982 /nfs/dbraw/zinc/66/89/82/611668982.db2.gz CDBSRKIPSCFITO-UONOGXRCSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1C ZINC000947568289 608899875 /nfs/dbraw/zinc/89/98/75/608899875.db2.gz KPDBNPXVGNMNJS-STQMWFEESA-N 1 1 325.376 0.273 20 30 ECEDMO O=C(NCC#CCO)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000923776290 608922917 /nfs/dbraw/zinc/92/29/17/608922917.db2.gz QEKUPTVUDYSFRY-SJORKVTESA-N 1 1 331.416 0.164 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC000937766594 609076693 /nfs/dbraw/zinc/07/66/93/609076693.db2.gz URITZLBQPPPQPW-GJZGRUSLSA-N 1 1 330.388 0.032 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC000937766594 609076695 /nfs/dbraw/zinc/07/66/95/609076695.db2.gz URITZLBQPPPQPW-GJZGRUSLSA-N 1 1 330.388 0.032 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)N[C@H](CC#N)C(F)(F)F)CC[N@@H+](C)C1 ZINC000932897420 611683075 /nfs/dbraw/zinc/68/30/75/611683075.db2.gz BYFLNTFOKLEWDO-VHSXEESVSA-N 1 1 336.314 0.577 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC000938173839 609486412 /nfs/dbraw/zinc/48/64/12/609486412.db2.gz YIILXTKVISZBQK-BBRMVZONSA-N 1 1 343.431 0.400 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC000938173839 609486413 /nfs/dbraw/zinc/48/64/13/609486413.db2.gz YIILXTKVISZBQK-BBRMVZONSA-N 1 1 343.431 0.400 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)nc1 ZINC000908010862 609636256 /nfs/dbraw/zinc/63/62/56/609636256.db2.gz DCZFLPJHYJBXPT-UONOGXRCSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)nc1 ZINC000908010862 609636257 /nfs/dbraw/zinc/63/62/57/609636257.db2.gz DCZFLPJHYJBXPT-UONOGXRCSA-N 1 1 336.417 0.173 20 30 ECEDMO N#CCC1(CS(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000908015087 609637748 /nfs/dbraw/zinc/63/77/48/609637748.db2.gz MXWFTNXAPMXDSO-UONOGXRCSA-N 1 1 327.450 0.541 20 30 ECEDMO C=CCn1c(C2CCOCC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000908672825 609657782 /nfs/dbraw/zinc/65/77/82/609657782.db2.gz VPBVPEGYMTVJDM-OAHLLOKOSA-N 1 1 333.436 0.879 20 30 ECEDMO C=CCn1c(C2CCOCC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000908672825 609657783 /nfs/dbraw/zinc/65/77/83/609657783.db2.gz VPBVPEGYMTVJDM-OAHLLOKOSA-N 1 1 333.436 0.879 20 30 ECEDMO N#C[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000924025014 609665853 /nfs/dbraw/zinc/66/58/53/609665853.db2.gz JSZWBPWMLCMGMO-IRXDYDNUSA-N 1 1 349.479 0.728 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000920116528 609673869 /nfs/dbraw/zinc/67/38/69/609673869.db2.gz CWUFLWAMDWYGKY-NXHRZFHOSA-N 1 1 345.443 0.959 20 30 ECEDMO C#CC[C@H](CO)NC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000920116528 609673870 /nfs/dbraw/zinc/67/38/70/609673870.db2.gz CWUFLWAMDWYGKY-NXHRZFHOSA-N 1 1 345.443 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)C1 ZINC000923599273 609674922 /nfs/dbraw/zinc/67/49/22/609674922.db2.gz SWUMUBAPTFUELJ-SRVKXCTJSA-N 1 1 331.338 0.515 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)C1 ZINC000923599273 609674923 /nfs/dbraw/zinc/67/49/23/609674923.db2.gz SWUMUBAPTFUELJ-SRVKXCTJSA-N 1 1 331.338 0.515 20 30 ECEDMO C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000163814066 609694947 /nfs/dbraw/zinc/69/49/47/609694947.db2.gz HGQYKAPHLAOUAE-LBPRGKRZSA-N 1 1 334.351 0.877 20 30 ECEDMO C=CCC[C@H]1NC(=O)N(CC2([NH+]3CCOCC3)CCOCC2)C1=O ZINC000927622284 609702145 /nfs/dbraw/zinc/70/21/45/609702145.db2.gz HTWLXAJDROIVCO-CQSZACIVSA-N 1 1 337.420 0.754 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000933094091 611707314 /nfs/dbraw/zinc/70/73/14/611707314.db2.gz QGZPEKCMDHFUAP-AWEZNQCLSA-N 1 1 343.493 0.957 20 30 ECEDMO C[C@@H]1C[C@H](C)C[N@H+](CCN2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC000933114053 611710007 /nfs/dbraw/zinc/71/00/07/611710007.db2.gz DYNOEHFUVVKAPO-QKPAOTATSA-N 1 1 325.478 0.834 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)nc1 ZINC000938375991 609761048 /nfs/dbraw/zinc/76/10/48/609761048.db2.gz YRVJNJIFJNNGKE-HNNXBMFYSA-N 1 1 337.383 0.599 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000948848837 609768370 /nfs/dbraw/zinc/76/83/70/609768370.db2.gz HKUWZAGFYSCVAV-UONOGXRCSA-N 1 1 329.466 0.519 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000938621561 609905549 /nfs/dbraw/zinc/90/55/49/609905549.db2.gz YKDOYDHZTIIATM-IRXDYDNUSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000938621561 609905551 /nfs/dbraw/zinc/90/55/51/609905551.db2.gz YKDOYDHZTIIATM-IRXDYDNUSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000915904850 609926838 /nfs/dbraw/zinc/92/68/38/609926838.db2.gz CSSSWDOTRCHSTM-UHFFFAOYSA-N 1 1 337.401 0.251 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC000938678677 609934634 /nfs/dbraw/zinc/93/46/34/609934634.db2.gz MYKVFRPQODLWCR-RDJZCZTQSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC000938678677 609934635 /nfs/dbraw/zinc/93/46/35/609934635.db2.gz MYKVFRPQODLWCR-RDJZCZTQSA-N 1 1 342.443 0.762 20 30 ECEDMO C#CC[NH2+]CC(=O)Nc1ccc([C@@]2(CC)CCC(=O)NC2=O)cc1 ZINC000912238101 609939503 /nfs/dbraw/zinc/93/95/03/609939503.db2.gz UUGPJOIFIKHMAK-GOSISDBHSA-N 1 1 327.384 0.932 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000938705621 609953843 /nfs/dbraw/zinc/95/38/43/609953843.db2.gz WROWSNOXPZUTCO-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000938842112 609971636 /nfs/dbraw/zinc/97/16/36/609971636.db2.gz OSICFRYMFXAFAM-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000938842112 609971638 /nfs/dbraw/zinc/97/16/38/609971638.db2.gz OSICFRYMFXAFAM-CABCVRRESA-N 1 1 343.431 0.489 20 30 ECEDMO CN(CC[N@@H+](C)CCO)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000912604906 609975576 /nfs/dbraw/zinc/97/55/76/609975576.db2.gz VWPOGOUOHCPSCN-UHFFFAOYSA-N 1 1 327.388 0.740 20 30 ECEDMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)N(C)CCC#N)cn1 ZINC000917659417 609980959 /nfs/dbraw/zinc/98/09/59/609980959.db2.gz YOSSIZHUZXMQSL-UHFFFAOYSA-N 1 1 334.405 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C2=COCCC2)C1 ZINC000938756204 609981930 /nfs/dbraw/zinc/98/19/30/609981930.db2.gz KIBOASUQMHZHOA-SJORKVTESA-N 1 1 345.443 0.838 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C2=COCCC2)C1 ZINC000938756204 609981931 /nfs/dbraw/zinc/98/19/31/609981931.db2.gz KIBOASUQMHZHOA-SJORKVTESA-N 1 1 345.443 0.838 20 30 ECEDMO C[C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)C[C@H](C)N1CC#N ZINC000918227798 609999373 /nfs/dbraw/zinc/99/93/73/609999373.db2.gz KJXLYPFPHFDYDM-OKILXGFUSA-N 1 1 325.482 0.663 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000938881199 610011690 /nfs/dbraw/zinc/01/16/90/610011690.db2.gz XOHFBWWEXBBZPS-OAGGEKHMSA-N 1 1 346.431 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)c2ccon2)CC1 ZINC000948838241 611726591 /nfs/dbraw/zinc/72/65/91/611726591.db2.gz PXWPWRDFVVNSSC-INIZCTEOSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)c2ccon2)CC1 ZINC000948838241 611726594 /nfs/dbraw/zinc/72/65/94/611726594.db2.gz PXWPWRDFVVNSSC-INIZCTEOSA-N 1 1 344.415 0.741 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](NCc3ccn(C)n3)C2)CC1 ZINC000939809144 610136596 /nfs/dbraw/zinc/13/65/96/610136596.db2.gz HVEHNLLBUNOSRQ-MAUKXSAKSA-N 1 1 343.475 0.702 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nncn3C)[C@@H](C)C2)nn1 ZINC000939294183 610149895 /nfs/dbraw/zinc/14/98/95/610149895.db2.gz YUSOTOHVYBBZHO-STQMWFEESA-N 1 1 344.423 0.233 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000939914359 610167073 /nfs/dbraw/zinc/16/70/73/610167073.db2.gz YSPTVEAPESFICP-CVEARBPZSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000939914359 610167074 /nfs/dbraw/zinc/16/70/74/610167074.db2.gz YSPTVEAPESFICP-CVEARBPZSA-N 1 1 343.431 0.109 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940063037 610198923 /nfs/dbraw/zinc/19/89/23/610198923.db2.gz VOHITRGEDVVXOC-TZMCWYRMSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000940095792 610207110 /nfs/dbraw/zinc/20/71/10/610207110.db2.gz ZFVGDVOYVKXNGT-KCQAQPDRSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000939477383 610211202 /nfs/dbraw/zinc/21/12/02/610211202.db2.gz JBGDHMZNRUOLEK-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000939477383 610211203 /nfs/dbraw/zinc/21/12/03/610211203.db2.gz JBGDHMZNRUOLEK-IKGGRYGDSA-N 1 1 347.459 0.570 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3cn4c(n3)CCCC4)CC2)C1 ZINC000941416621 610304500 /nfs/dbraw/zinc/30/45/00/610304500.db2.gz IZESSIQWFCPMBN-UHFFFAOYSA-N 1 1 343.475 0.776 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941436997 610314674 /nfs/dbraw/zinc/31/46/74/610314674.db2.gz NQPAOCRMGIWZKK-INIZCTEOSA-N 1 1 327.432 0.222 20 30 ECEDMO N#CCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)C1 ZINC000941437243 610315094 /nfs/dbraw/zinc/31/50/94/610315094.db2.gz XBQUUGNAEZKIOB-SFHVURJKSA-N 1 1 345.491 0.745 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000940651584 610324063 /nfs/dbraw/zinc/32/40/63/610324063.db2.gz HEWGIMBHOTYFSF-CQSZACIVSA-N 1 1 329.404 0.513 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)C1 ZINC000941450650 610324683 /nfs/dbraw/zinc/32/46/83/610324683.db2.gz CNHSVYCNWXSXDM-UHFFFAOYSA-N 1 1 338.415 0.423 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc4cccn4cn3)CC2)C1 ZINC000941451591 610326053 /nfs/dbraw/zinc/32/60/53/610326053.db2.gz LQMVUJQDQOULKJ-UHFFFAOYSA-N 1 1 325.416 0.962 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000941466040 610334335 /nfs/dbraw/zinc/33/43/35/610334335.db2.gz RMBHQTHAJDCTOZ-OAHLLOKOSA-N 1 1 329.448 0.460 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)C1 ZINC000941484413 610337347 /nfs/dbraw/zinc/33/73/47/610337347.db2.gz XHBAAQYTEAVZBR-UHFFFAOYSA-N 1 1 343.431 0.131 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3occ4c3CCOC4)CC2)C1 ZINC000941502602 610345808 /nfs/dbraw/zinc/34/58/08/610345808.db2.gz TWLKHPCCFDLPIE-UHFFFAOYSA-N 1 1 331.416 0.980 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000940789693 610363697 /nfs/dbraw/zinc/36/36/97/610363697.db2.gz XMVMNODTYKPIBF-ZFWWWQNUSA-N 1 1 343.431 0.759 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](C)C1 ZINC000942259846 610364755 /nfs/dbraw/zinc/36/47/55/610364755.db2.gz UPJWISGYVGORFN-RYUDHWBXSA-N 1 1 339.417 0.391 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)COC3CCOCC3)CC2)C1 ZINC000941590238 610399219 /nfs/dbraw/zinc/39/92/19/610399219.db2.gz HRNNIJJPMJGWKV-UHFFFAOYSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cn3nnnc3C(C)C)CC2)C1 ZINC000941597065 610414652 /nfs/dbraw/zinc/41/46/52/610414652.db2.gz ZMRXUBKIFMAKBK-UHFFFAOYSA-N 1 1 347.467 0.201 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000942371074 610419524 /nfs/dbraw/zinc/41/95/24/610419524.db2.gz WROWSNOXPZUTCO-GOEBONIOSA-N 1 1 326.400 0.345 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccnc4nc(C)nn43)CC2)C1 ZINC000941638366 610423744 /nfs/dbraw/zinc/42/37/44/610423744.db2.gz CDZNFXDSPGKSKU-UHFFFAOYSA-N 1 1 341.419 0.061 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3nnn(C(C)C)c3C)CC2)C1 ZINC000941620938 610425916 /nfs/dbraw/zinc/42/59/16/610425916.db2.gz PSCBBVAFLBAAAR-UHFFFAOYSA-N 1 1 332.452 0.795 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C(C)(C)C1 ZINC000940913364 610430587 /nfs/dbraw/zinc/43/05/87/610430587.db2.gz BBKGSWIBYHOCSN-OAHLLOKOSA-N 1 1 341.415 0.795 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4cccnc4C3)CC2)C1 ZINC000941650801 610440887 /nfs/dbraw/zinc/44/08/87/610440887.db2.gz GXEUEBWJVASAMI-INIZCTEOSA-N 1 1 326.444 0.811 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CN(CC)CCO3)CC2)C1 ZINC000941671017 610444687 /nfs/dbraw/zinc/44/46/87/610444687.db2.gz DDGQYCMSQYJTRW-KRWDZBQOSA-N 1 1 336.480 0.112 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000941671011 610444839 /nfs/dbraw/zinc/44/48/39/610444839.db2.gz DBCIOYWREZOIMD-OAHLLOKOSA-N 1 1 341.459 0.366 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)Cc3csc4nccn34)CC2)C1 ZINC000941669361 610459242 /nfs/dbraw/zinc/45/92/42/610459242.db2.gz YKYDWIRUBMNIJZ-UHFFFAOYSA-N 1 1 345.472 0.953 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000942498187 610482658 /nfs/dbraw/zinc/48/26/58/610482658.db2.gz XPNQAJZULFBCOG-GJZGRUSLSA-N 1 1 343.493 0.815 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](C)C1 ZINC000942529440 610500845 /nfs/dbraw/zinc/50/08/45/610500845.db2.gz KKMQQUMCRCBUJC-OCCSQVGLSA-N 1 1 327.392 0.684 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C(C)(C)C1 ZINC000941028719 610505226 /nfs/dbraw/zinc/50/52/26/610505226.db2.gz NSOIMYVJKNXYOC-OAHLLOKOSA-N 1 1 344.459 0.987 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562144 610517924 /nfs/dbraw/zinc/51/79/24/610517924.db2.gz IBBUCCYUYZHKSB-DOMZBBRYSA-N 1 1 339.403 0.722 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562144 610517926 /nfs/dbraw/zinc/51/79/26/610517926.db2.gz IBBUCCYUYZHKSB-DOMZBBRYSA-N 1 1 339.403 0.722 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000941103007 610537497 /nfs/dbraw/zinc/53/74/97/610537497.db2.gz LRPJWEVDOTZABM-BBWFWOEESA-N 1 1 349.475 0.980 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000941879701 610550799 /nfs/dbraw/zinc/55/07/99/610550799.db2.gz MQVKOJFVQSNBEE-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000941163615 610571327 /nfs/dbraw/zinc/57/13/27/610571327.db2.gz MZWUGWOGENFAOQ-LLVKDONJSA-N 1 1 348.403 0.750 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964211 610586513 /nfs/dbraw/zinc/58/65/13/610586513.db2.gz PKZHXFDTXIZBHW-DOMZBBRYSA-N 1 1 344.419 0.352 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000941206583 610596397 /nfs/dbraw/zinc/59/63/97/610596397.db2.gz KKPYQNMQCQFFCW-CYBMUJFWSA-N 1 1 336.436 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nc(C)oc2C)C1 ZINC000941240661 610613377 /nfs/dbraw/zinc/61/33/77/610613377.db2.gz JFFRRDMGJCPJDG-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nc(C)oc2C)C1 ZINC000941240661 610613379 /nfs/dbraw/zinc/61/33/79/610613379.db2.gz JFFRRDMGJCPJDG-CABCVRRESA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000941245473 610616302 /nfs/dbraw/zinc/61/63/02/610616302.db2.gz PGWCMUPYTWMBOC-CVEARBPZSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000941245473 610616305 /nfs/dbraw/zinc/61/63/05/610616305.db2.gz PGWCMUPYTWMBOC-CVEARBPZSA-N 1 1 328.416 0.372 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnn(C)c2C)C1 ZINC000941238118 610622323 /nfs/dbraw/zinc/62/23/23/610622323.db2.gz VGADCRKSAKUHBR-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnn(C)c2C)C1 ZINC000941238118 610622325 /nfs/dbraw/zinc/62/23/25/610622325.db2.gz VGADCRKSAKUHBR-ZBFHGGJFSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000941257104 610627451 /nfs/dbraw/zinc/62/74/51/610627451.db2.gz ZASNILSQFZSVCQ-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000941257104 610627453 /nfs/dbraw/zinc/62/74/53/610627453.db2.gz ZASNILSQFZSVCQ-NCOADZHNSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](C)C1 ZINC000942080378 610640730 /nfs/dbraw/zinc/64/07/30/610640730.db2.gz XTMFXBNGIAOZJG-ZIAGYGMSSA-N 1 1 332.452 0.821 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)C1 ZINC000942107429 610654075 /nfs/dbraw/zinc/65/40/75/610654075.db2.gz WDHRPHKBTPNHFO-LSDHHAIUSA-N 1 1 348.447 0.340 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2nc3ncc(C)cn3n2)[C@@H](C)C1 ZINC000942164109 610682583 /nfs/dbraw/zinc/68/25/83/610682583.db2.gz QXNLINKKMWATMJ-KBPBESRZSA-N 1 1 326.404 0.896 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1 ZINC000942257458 610714126 /nfs/dbraw/zinc/71/41/26/610714126.db2.gz LPNLNHWLBXTPRG-VXGBXAGGSA-N 1 1 341.433 0.943 20 30 ECEDMO C#CCCN1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941404335 610720695 /nfs/dbraw/zinc/72/06/95/610720695.db2.gz AFZBVPKHBLNKHL-GOSISDBHSA-N 1 1 332.492 0.711 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)Cn3cccc(C)c3=O)CC2)C1 ZINC000941408729 610722796 /nfs/dbraw/zinc/72/27/96/610722796.db2.gz RKIMCPHQISKVPC-UHFFFAOYSA-N 1 1 344.459 0.561 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408648 610722834 /nfs/dbraw/zinc/72/28/34/610722834.db2.gz OPIVEGNMORXXTA-DLBZAZTESA-N 1 1 330.476 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(C)no2)CC1 ZINC000944152626 610768319 /nfs/dbraw/zinc/76/83/19/610768319.db2.gz AJKDRKIISZKKDC-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(C)no2)CC1 ZINC000944152626 610768321 /nfs/dbraw/zinc/76/83/21/610768321.db2.gz AJKDRKIISZKKDC-HNNXBMFYSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@H](C)C1 ZINC000944191697 610775576 /nfs/dbraw/zinc/77/55/76/610775576.db2.gz DRIAVRZJVMISAQ-HIFRSBDPSA-N 1 1 328.416 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2C)cn1 ZINC000944213605 610786107 /nfs/dbraw/zinc/78/61/07/610786107.db2.gz FDZVDOHBNJTZMD-YOEHRIQHSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000944907760 610834908 /nfs/dbraw/zinc/83/49/08/610834908.db2.gz OKWUCVNYYBKHLL-TZMCWYRMSA-N 1 1 334.420 0.892 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)CC2 ZINC000944980933 610867684 /nfs/dbraw/zinc/86/76/84/610867684.db2.gz XJZAXMQPSNYAGL-HNNXBMFYSA-N 1 1 348.447 0.319 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](C)C1 ZINC000943513871 610881328 /nfs/dbraw/zinc/88/13/28/610881328.db2.gz AYXJHFOADUXZRB-LSDHHAIUSA-N 1 1 348.451 0.582 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC000945056582 610895071 /nfs/dbraw/zinc/89/50/71/610895071.db2.gz WFYFXFRIERKIDS-HUUCEWRRSA-N 1 1 332.448 0.939 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000943668125 610935911 /nfs/dbraw/zinc/93/59/11/610935911.db2.gz QGWAKPRMXDONTM-KKUMJFAQSA-N 1 1 343.431 0.995 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944629224 611031338 /nfs/dbraw/zinc/03/13/38/611031338.db2.gz XCEUQYUOVYMULC-DLBZAZTESA-N 1 1 347.459 0.618 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944630983 611032804 /nfs/dbraw/zinc/03/28/04/611032804.db2.gz AUYJFNWXTALWNR-IAGOWNOFSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2CCCC2)CCO1 ZINC000944648665 611057267 /nfs/dbraw/zinc/05/72/67/611057267.db2.gz WOZXZDSPDNEXPA-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2CCCC2)CCO1 ZINC000944648665 611057270 /nfs/dbraw/zinc/05/72/70/611057270.db2.gz WOZXZDSPDNEXPA-IRXDYDNUSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](OC)C1CC1 ZINC000943990135 611072451 /nfs/dbraw/zinc/07/24/51/611072451.db2.gz SBKCLCPPCZQBQL-IXDOHACOSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](OC)C1CC1 ZINC000943990135 611072453 /nfs/dbraw/zinc/07/24/53/611072453.db2.gz SBKCLCPPCZQBQL-IXDOHACOSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC000944098475 611131004 /nfs/dbraw/zinc/13/10/04/611131004.db2.gz YMNIEHQVMVNMIL-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC000944098475 611131005 /nfs/dbraw/zinc/13/10/05/611131005.db2.gz YMNIEHQVMVNMIL-PMPSAXMXSA-N 1 1 333.432 0.370 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)CC[C@@H]2C1 ZINC000946818955 611171770 /nfs/dbraw/zinc/17/17/70/611171770.db2.gz RMMOVSMVCWOYNC-PHDAOHEYSA-N 1 1 346.431 0.331 20 30 ECEDMO CN(C)[S@@](C)(=O)=NCC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000934751099 611817911 /nfs/dbraw/zinc/81/79/11/611817911.db2.gz UTDTYZAIYAYGPE-QFIPXVFZSA-N 1 1 329.470 0.303 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccn4c(=O)[nH]nc34)CC[C@@H]2C1 ZINC000946859054 611202316 /nfs/dbraw/zinc/20/23/16/611202316.db2.gz JLYVGOSKELSEMC-OKILXGFUSA-N 1 1 339.399 0.852 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC[C@@H]2C1 ZINC000946884496 611224683 /nfs/dbraw/zinc/22/46/83/611224683.db2.gz CVEBQWUQYPTBPH-ZNMIVQPWSA-N 1 1 346.431 0.168 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)CC[C@@H]2C1 ZINC000946887647 611226787 /nfs/dbraw/zinc/22/67/87/611226787.db2.gz NBGDTUYUWIKLPM-IYBDPMFKSA-N 1 1 332.448 0.581 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC[C@@H]2C1 ZINC000946892553 611231546 /nfs/dbraw/zinc/23/15/46/611231546.db2.gz GLJBYVHFKYBCTC-OKILXGFUSA-N 1 1 328.416 0.921 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)CC[C@@H]2C1 ZINC000946907358 611250132 /nfs/dbraw/zinc/25/01/32/611250132.db2.gz YSSNHKTUIVUECM-GASCZTMLSA-N 1 1 340.427 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000923560130 611261746 /nfs/dbraw/zinc/26/17/46/611261746.db2.gz ZUTJLWQGAKVYDS-CYBMUJFWSA-N 1 1 337.420 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000923560130 611261748 /nfs/dbraw/zinc/26/17/48/611261748.db2.gz ZUTJLWQGAKVYDS-CYBMUJFWSA-N 1 1 337.420 0.182 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000923589098 611270411 /nfs/dbraw/zinc/27/04/11/611270411.db2.gz NAJXVQMKNKHFSF-NSHDSACASA-N 1 1 341.458 0.152 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000923589098 611270412 /nfs/dbraw/zinc/27/04/12/611270412.db2.gz NAJXVQMKNKHFSF-NSHDSACASA-N 1 1 341.458 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000923589439 611270479 /nfs/dbraw/zinc/27/04/79/611270479.db2.gz OUAGQUDNASMSDH-VXGBXAGGSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000923589439 611270481 /nfs/dbraw/zinc/27/04/81/611270481.db2.gz OUAGQUDNASMSDH-VXGBXAGGSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](NC(N)=O)c2ccccc2)C1 ZINC000923588769 611270494 /nfs/dbraw/zinc/27/04/94/611270494.db2.gz JNOCLGWJFLCBRG-JKSUJKDBSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](NC(N)=O)c2ccccc2)C1 ZINC000923588769 611270496 /nfs/dbraw/zinc/27/04/96/611270496.db2.gz JNOCLGWJFLCBRG-JKSUJKDBSA-N 1 1 328.416 1.000 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000923589242 611270586 /nfs/dbraw/zinc/27/05/86/611270586.db2.gz OUAGQUDNASMSDH-NWDGAFQWSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000923589242 611270588 /nfs/dbraw/zinc/27/05/88/611270588.db2.gz OUAGQUDNASMSDH-NWDGAFQWSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cn2cnc3sccc3c2=O)C1 ZINC000923592598 611271298 /nfs/dbraw/zinc/27/12/98/611271298.db2.gz ZAUQZOBCBWGXPO-LBPRGKRZSA-N 1 1 330.413 0.672 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cnc3sccc3c2=O)C1 ZINC000923592598 611271299 /nfs/dbraw/zinc/27/12/99/611271299.db2.gz ZAUQZOBCBWGXPO-LBPRGKRZSA-N 1 1 330.413 0.672 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000946517274 611296719 /nfs/dbraw/zinc/29/67/19/611296719.db2.gz BBSXVHULRCVXDV-GFCCVEGCSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000834687427 611297037 /nfs/dbraw/zinc/29/70/37/611297037.db2.gz ZLIALBCRSPAMPY-HOTGVXAUSA-N 1 1 335.448 0.333 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(N(C)C)no3)C[C@H]2CC1 ZINC000946521637 611299088 /nfs/dbraw/zinc/29/90/88/611299088.db2.gz YEVSNGDCXXOTTG-MCIONIFRSA-N 1 1 346.435 0.966 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3nc(N(C)C)no3)C[C@H]2CC1 ZINC000946521637 611299090 /nfs/dbraw/zinc/29/90/90/611299090.db2.gz YEVSNGDCXXOTTG-MCIONIFRSA-N 1 1 346.435 0.966 20 30 ECEDMO C=CCONC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000834933032 611305889 /nfs/dbraw/zinc/30/58/89/611305889.db2.gz HRQQIPNLNYHSSM-UHFFFAOYSA-N 1 1 332.404 0.991 20 30 ECEDMO N#Cc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cs1 ZINC000921747097 611311719 /nfs/dbraw/zinc/31/17/19/611311719.db2.gz SKWVYTRRCJBLCC-KBPBESRZSA-N 1 1 341.458 0.207 20 30 ECEDMO C#CCN(C(=O)N[C@H]1CCCS(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000921780550 611316628 /nfs/dbraw/zinc/31/66/28/611316628.db2.gz DVCAADDWTZHSDX-ZDUSSCGKSA-N 1 1 327.450 0.303 20 30 ECEDMO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000922025013 611331658 /nfs/dbraw/zinc/33/16/58/611331658.db2.gz ISHVSCKYIWWOKW-KBPBESRZSA-N 1 1 330.454 0.118 20 30 ECEDMO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000922025013 611331660 /nfs/dbraw/zinc/33/16/60/611331660.db2.gz ISHVSCKYIWWOKW-KBPBESRZSA-N 1 1 330.454 0.118 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)n1 ZINC000922450170 611351146 /nfs/dbraw/zinc/35/11/46/611351146.db2.gz RQRKNWYQIBMZNJ-NEPJUHHUSA-N 1 1 335.437 0.029 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@H]2Cc3cc(OC)ccc3O2)CC1 ZINC000929095883 611728563 /nfs/dbraw/zinc/72/85/63/611728563.db2.gz GVTXLNUBPQQGBO-QGZVFWFLSA-N 1 1 345.443 0.919 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CC2CN(S(C)(=O)=O)C2)c1 ZINC000929290119 611742905 /nfs/dbraw/zinc/74/29/05/611742905.db2.gz NHDJIJYTMOVDOZ-UHFFFAOYSA-N 1 1 335.429 0.430 20 30 ECEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CC2CN(S(C)(=O)=O)C2)c1 ZINC000929290119 611742906 /nfs/dbraw/zinc/74/29/06/611742906.db2.gz NHDJIJYTMOVDOZ-UHFFFAOYSA-N 1 1 335.429 0.430 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C ZINC000947928642 611744357 /nfs/dbraw/zinc/74/43/57/611744357.db2.gz FKSYLNXIQUNGSD-VXGBXAGGSA-N 1 1 328.376 0.024 20 30 ECEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929395392 611750496 /nfs/dbraw/zinc/75/04/96/611750496.db2.gz QZDSYWTVTQMTOS-QZTJIDSGSA-N 1 1 334.416 0.909 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929822399 611797656 /nfs/dbraw/zinc/79/76/56/611797656.db2.gz ALQONDRRIKPRAB-NYTXWWLZSA-N 1 1 329.404 0.663 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929822399 611797659 /nfs/dbraw/zinc/79/76/59/611797659.db2.gz ALQONDRRIKPRAB-NYTXWWLZSA-N 1 1 329.404 0.663 20 30 ECEDMO C=CCCC[N@@H+](CC)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000934652227 611811857 /nfs/dbraw/zinc/81/18/57/611811857.db2.gz XSPZUBXMQJLZAD-GFCCVEGCSA-N 1 1 331.438 0.287 20 30 ECEDMO C=CCCC[N@H+](CC)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000934652227 611811858 /nfs/dbraw/zinc/81/18/58/611811858.db2.gz XSPZUBXMQJLZAD-GFCCVEGCSA-N 1 1 331.438 0.287 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1COCCO1)CCO2 ZINC000949038629 611822073 /nfs/dbraw/zinc/82/20/73/611822073.db2.gz YOCAELZWGMPQTO-CQSZACIVSA-N 1 1 344.839 0.848 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC000949169384 611886412 /nfs/dbraw/zinc/88/64/12/611886412.db2.gz WCPDTGJTYXSWPN-CVEARBPZSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC000949169384 611886414 /nfs/dbraw/zinc/88/64/14/611886414.db2.gz WCPDTGJTYXSWPN-CVEARBPZSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)on1 ZINC000950754817 611890401 /nfs/dbraw/zinc/89/04/01/611890401.db2.gz ZJNBVBUOSOUKOF-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)on1 ZINC000950754817 611890403 /nfs/dbraw/zinc/89/04/03/611890403.db2.gz ZJNBVBUOSOUKOF-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)ncn1 ZINC000950755082 611890636 /nfs/dbraw/zinc/89/06/36/611890636.db2.gz CSIGKGUUHYPWHK-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)ncn1 ZINC000950755082 611890638 /nfs/dbraw/zinc/89/06/38/611890638.db2.gz CSIGKGUUHYPWHK-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccnnc1C ZINC000950755178 611890657 /nfs/dbraw/zinc/89/06/57/611890657.db2.gz FWQNMTWAAREIKP-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccnnc1C ZINC000950755178 611890659 /nfs/dbraw/zinc/89/06/59/611890659.db2.gz FWQNMTWAAREIKP-ZBFHGGJFSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(C)n1 ZINC000950755002 611890679 /nfs/dbraw/zinc/89/06/79/611890679.db2.gz BBICILQSGGZFDK-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(C)n1 ZINC000950755002 611890682 /nfs/dbraw/zinc/89/06/82/611890682.db2.gz BBICILQSGGZFDK-ZFWWWQNUSA-N 1 1 329.404 0.146 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)/C=C/c1ccc[nH]1 ZINC000950755135 611890792 /nfs/dbraw/zinc/89/07/92/611890792.db2.gz DZWLWYYSBYEGCM-FNQZAJIHSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)/C=C/c1ccc[nH]1 ZINC000950755135 611890794 /nfs/dbraw/zinc/89/07/94/611890794.db2.gz DZWLWYYSBYEGCM-FNQZAJIHSA-N 1 1 340.427 0.843 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC1=CCOCC1 ZINC000950755943 611891896 /nfs/dbraw/zinc/89/18/96/611891896.db2.gz YJGYEZABTRSNJS-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC1=CCOCC1 ZINC000950755943 611891897 /nfs/dbraw/zinc/89/18/97/611891897.db2.gz YJGYEZABTRSNJS-IRXDYDNUSA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C ZINC000949196952 611897363 /nfs/dbraw/zinc/89/73/63/611897363.db2.gz BTRRZEIDUBNXEL-BMFZPTHFSA-N 1 1 343.431 0.094 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C ZINC000949196952 611897365 /nfs/dbraw/zinc/89/73/65/611897365.db2.gz BTRRZEIDUBNXEL-BMFZPTHFSA-N 1 1 343.431 0.094 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000950229858 611914113 /nfs/dbraw/zinc/91/41/13/611914113.db2.gz FJWNMZXKFONTQS-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1c[nH+]cc1C ZINC000950234878 611919897 /nfs/dbraw/zinc/91/98/97/611919897.db2.gz DGVRZQWTJKGQCO-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO C=CCN1CC[C@@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1=O ZINC000949318034 611936934 /nfs/dbraw/zinc/93/69/34/611936934.db2.gz SSNHLYKGQGUJNO-OAHLLOKOSA-N 1 1 331.420 0.123 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cc3cc(C)n[nH]3)CC2)C1 ZINC000949338579 611943663 /nfs/dbraw/zinc/94/36/63/611943663.db2.gz PMJFNZRSGJYHNW-UHFFFAOYSA-N 1 1 330.432 0.977 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 ZINC000949366077 611953543 /nfs/dbraw/zinc/95/35/43/611953543.db2.gz SUCKOZBZRWYBMC-INIZCTEOSA-N 1 1 336.432 0.509 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 ZINC000949366077 611953545 /nfs/dbraw/zinc/95/35/45/611953545.db2.gz SUCKOZBZRWYBMC-INIZCTEOSA-N 1 1 336.432 0.509 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000950870656 611958635 /nfs/dbraw/zinc/95/86/35/611958635.db2.gz XTFDRQFSVKQWCP-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC000949395237 611963144 /nfs/dbraw/zinc/96/31/44/611963144.db2.gz PRHVCVBBAYCOJQ-UHFFFAOYSA-N 1 1 343.427 0.716 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC000949395237 611963145 /nfs/dbraw/zinc/96/31/45/611963145.db2.gz PRHVCVBBAYCOJQ-UHFFFAOYSA-N 1 1 343.427 0.716 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950320708 611969878 /nfs/dbraw/zinc/96/98/78/611969878.db2.gz URYGRTWUZOCQPA-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC3(CC2)C[N@H+](CC=C)CCO3)nn1 ZINC000949489396 612002395 /nfs/dbraw/zinc/00/23/95/612002395.db2.gz AYAZPTCCNLFNKK-UHFFFAOYSA-N 1 1 331.420 0.957 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC3(CC2)C[N@@H+](CC=C)CCO3)nn1 ZINC000949489396 612002398 /nfs/dbraw/zinc/00/23/98/612002398.db2.gz AYAZPTCCNLFNKK-UHFFFAOYSA-N 1 1 331.420 0.957 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](CCCO)CCO3)cn1 ZINC000949515331 612017599 /nfs/dbraw/zinc/01/75/99/612017599.db2.gz MIWCGFOUXQAZJZ-UHFFFAOYSA-N 1 1 343.427 0.752 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949518287 612018124 /nfs/dbraw/zinc/01/81/24/612018124.db2.gz QFMSQAPKOZDORT-UHFFFAOYSA-N 1 1 342.439 0.896 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC000949520229 612018842 /nfs/dbraw/zinc/01/88/42/612018842.db2.gz MFSBQAJQSOLXLU-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC000949520229 612018843 /nfs/dbraw/zinc/01/88/43/612018843.db2.gz MFSBQAJQSOLXLU-HNNXBMFYSA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3nccnc3C(N)=O)CC2)C1 ZINC000949523300 612019411 /nfs/dbraw/zinc/01/94/11/612019411.db2.gz LJLNQPBACSRYLL-UHFFFAOYSA-N 1 1 345.403 0.069 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3nccnc3C(N)=O)CC2)C1 ZINC000949523300 612019413 /nfs/dbraw/zinc/01/94/13/612019413.db2.gz LJLNQPBACSRYLL-UHFFFAOYSA-N 1 1 345.403 0.069 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)CN(CCO)CCO3)CC1 ZINC000949532079 612023373 /nfs/dbraw/zinc/02/33/73/612023373.db2.gz XEDKPUCBUTUFDJ-UHFFFAOYSA-N 1 1 349.475 0.017 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nonc2C)C1 ZINC000950533152 612057506 /nfs/dbraw/zinc/05/75/06/612057506.db2.gz BAZADHBFCQFLHO-INIZCTEOSA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2nonc2C)C1 ZINC000950533152 612057507 /nfs/dbraw/zinc/05/75/07/612057507.db2.gz BAZADHBFCQFLHO-INIZCTEOSA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccncc1C ZINC000949818745 612081225 /nfs/dbraw/zinc/08/12/25/612081225.db2.gz OEDXWQININHDNK-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccncc1C ZINC000949818745 612081226 /nfs/dbraw/zinc/08/12/26/612081226.db2.gz OEDXWQININHDNK-WBVHZDCISA-N 1 1 340.427 0.818 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000951374023 612189641 /nfs/dbraw/zinc/18/96/41/612189641.db2.gz BRVMTRSXWZYHNO-CQSZACIVSA-N 1 1 340.387 0.812 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)C[N@H+](C)C2CCC2)nc1 ZINC000951377463 612193911 /nfs/dbraw/zinc/19/39/11/612193911.db2.gz ZBOWHHNEVCMYHF-MRXNPFEDSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CCC[C@@H]2C)cn1 ZINC000951386126 612199134 /nfs/dbraw/zinc/19/91/34/612199134.db2.gz VERJOAHQMPKLTP-YOEHRIQHSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC000951454414 612244476 /nfs/dbraw/zinc/24/44/76/612244476.db2.gz PFTGPUZFZVAZNZ-KBPBESRZSA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC000951454414 612244478 /nfs/dbraw/zinc/24/44/78/612244478.db2.gz PFTGPUZFZVAZNZ-KBPBESRZSA-N 1 1 330.388 0.493 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000951491345 612267931 /nfs/dbraw/zinc/26/79/31/612267931.db2.gz CHDLWZNBFRCBQW-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2scnc2C)C1 ZINC000953790685 612277045 /nfs/dbraw/zinc/27/70/45/612277045.db2.gz FRZANZZRZXEIMQ-AWEZNQCLSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2scnc2C)C1 ZINC000953790685 612277049 /nfs/dbraw/zinc/27/70/49/612277049.db2.gz FRZANZZRZXEIMQ-AWEZNQCLSA-N 1 1 346.456 0.832 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC000955117660 612278144 /nfs/dbraw/zinc/27/81/44/612278144.db2.gz FJAUXRHWPYZTSR-MAUKXSAKSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC000955117660 612278146 /nfs/dbraw/zinc/27/81/46/612278146.db2.gz FJAUXRHWPYZTSR-MAUKXSAKSA-N 1 1 333.432 0.180 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000193530938 612313680 /nfs/dbraw/zinc/31/36/80/612313680.db2.gz KBRQYHAXZUOQEB-VOTSOKGWSA-N 1 1 326.400 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccn(C)c2C)C1 ZINC000955243086 612380011 /nfs/dbraw/zinc/38/00/11/612380011.db2.gz BOTJQCSZWGWACU-KRWDZBQOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccn(C)c2C)C1 ZINC000955243086 612380017 /nfs/dbraw/zinc/38/00/17/612380017.db2.gz BOTJQCSZWGWACU-KRWDZBQOSA-N 1 1 342.443 0.714 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2ccco2)C1 ZINC000954630860 612468131 /nfs/dbraw/zinc/46/81/31/612468131.db2.gz MUWUEQJJQYNUOJ-KRWDZBQOSA-N 1 1 343.427 0.979 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2ccco2)C1 ZINC000954630860 612468136 /nfs/dbraw/zinc/46/81/36/612468136.db2.gz MUWUEQJJQYNUOJ-KRWDZBQOSA-N 1 1 343.427 0.979 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000955343871 612470022 /nfs/dbraw/zinc/47/00/22/612470022.db2.gz HHRABLCFCBVLEN-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000955929264 612497413 /nfs/dbraw/zinc/49/74/13/612497413.db2.gz FWYJOUSSGOVYNK-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000955365917 612503946 /nfs/dbraw/zinc/50/39/46/612503946.db2.gz BIRNLKMSOQQULP-CVEARBPZSA-N 1 1 335.448 0.731 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000955950831 612523571 /nfs/dbraw/zinc/52/35/71/612523571.db2.gz RCLHNDMDFFTYCZ-VHDGCEQUSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000956802330 612565603 /nfs/dbraw/zinc/56/56/03/612565603.db2.gz KZZLBQZCMSSHPI-FZKQIMNGSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956802897 612566796 /nfs/dbraw/zinc/56/67/96/612566796.db2.gz VCPNFBUECKCWCK-YOEHRIQHSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000956020722 612619723 /nfs/dbraw/zinc/61/97/23/612619723.db2.gz YPJNWIKAJKEVOM-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954088517 612646964 /nfs/dbraw/zinc/64/69/64/612646964.db2.gz OZGUNTDJAKDBED-GFCCVEGCSA-N 1 1 329.404 0.653 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000954088555 612647169 /nfs/dbraw/zinc/64/71/69/612647169.db2.gz QZKRUYOBAIBVAM-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000954794649 612688889 /nfs/dbraw/zinc/68/88/89/612688889.db2.gz ATBQNKHPXHKLHB-CVEARBPZSA-N 1 1 346.431 0.842 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1oncc1C ZINC000956194863 612773105 /nfs/dbraw/zinc/77/31/05/612773105.db2.gz KKHUWTKWZVOGBX-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1oncc1C ZINC000956194863 612773108 /nfs/dbraw/zinc/77/31/08/612773108.db2.gz KKHUWTKWZVOGBX-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)co2)C1 ZINC000955049522 612870912 /nfs/dbraw/zinc/87/09/12/612870912.db2.gz CRPRRMALWPNUQV-HNNXBMFYSA-N 1 1 329.400 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(C)co2)C1 ZINC000955049522 612870913 /nfs/dbraw/zinc/87/09/13/612870913.db2.gz CRPRRMALWPNUQV-HNNXBMFYSA-N 1 1 329.400 0.968 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954381123 612885039 /nfs/dbraw/zinc/88/50/39/612885039.db2.gz VNQYYBFOLAVBHI-PVAVHDDUSA-N 1 1 349.475 0.979 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N(C)C2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000955078079 612885917 /nfs/dbraw/zinc/88/59/17/612885917.db2.gz JWJKSWLFXAXFSO-JSGCOSHPSA-N 1 1 343.431 0.899 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC000955079731 612887320 /nfs/dbraw/zinc/88/73/20/612887320.db2.gz XHTXYURMYNPZON-INIZCTEOSA-N 1 1 333.432 0.178 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 ZINC000955079731 612887321 /nfs/dbraw/zinc/88/73/21/612887321.db2.gz XHTXYURMYNPZON-INIZCTEOSA-N 1 1 333.432 0.178 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000954408038 612895838 /nfs/dbraw/zinc/89/58/38/612895838.db2.gz VTOJNACCKBWFAO-BXUZGUMPSA-N 1 1 329.404 0.509 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(OC)o2)C1 ZINC000955105123 612904453 /nfs/dbraw/zinc/90/44/53/612904453.db2.gz RAOAVSSDOCTDAU-AWEZNQCLSA-N 1 1 345.399 0.669 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ccc(OC)o2)C1 ZINC000955105123 612904454 /nfs/dbraw/zinc/90/44/54/612904454.db2.gz RAOAVSSDOCTDAU-AWEZNQCLSA-N 1 1 345.399 0.669 20 30 ECEDMO Cc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(C#N)n1 ZINC001164738869 720711715 /nfs/dbraw/zinc/71/17/15/720711715.db2.gz LEGIIRDWLDIATQ-ZIAGYGMSSA-N 1 1 337.387 0.789 20 30 ECEDMO COCC[N@H+]1CCO[C@H]2CN(c3cncc(CC#N)n3)CC[C@H]2C1 ZINC001164855416 720869811 /nfs/dbraw/zinc/86/98/11/720869811.db2.gz MDRSVDVIBBLVKN-HOCLYGCPSA-N 1 1 331.420 0.716 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cncn3C)C2)C1=O ZINC000971874917 735296492 /nfs/dbraw/zinc/29/64/92/735296492.db2.gz JEGRTAIXJZUGKT-UONOGXRCSA-N 1 1 331.420 0.353 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000971951774 735434142 /nfs/dbraw/zinc/43/41/42/735434142.db2.gz HIGGSWGFRJIUNS-ZDUSSCGKSA-N 1 1 349.884 0.697 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000971951774 735434147 /nfs/dbraw/zinc/43/41/47/735434147.db2.gz HIGGSWGFRJIUNS-ZDUSSCGKSA-N 1 1 349.884 0.697 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)CCCc2nc(CC)no2)CC1 ZINC001098560904 735436237 /nfs/dbraw/zinc/43/62/37/735436237.db2.gz HKGZLBDOOGEDIJ-UHFFFAOYSA-N 1 1 348.447 0.873 20 30 ECEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC000971996553 735481391 /nfs/dbraw/zinc/48/13/91/735481391.db2.gz FEUVONZQFOKTHY-ZACQAIPSSA-N 1 1 337.464 0.585 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3coc(OC)n3)C2)C1=O ZINC000972015805 735506862 /nfs/dbraw/zinc/50/68/62/735506862.db2.gz GFBHCSZAWBJYKX-JSGCOSHPSA-N 1 1 348.403 0.616 20 30 ECEDMO CN(C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000987925021 751340371 /nfs/dbraw/zinc/34/03/71/751340371.db2.gz JOHIWXPEDIHTES-KBPBESRZSA-N 1 1 343.431 0.759 20 30 ECEDMO Cc1cc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@H+](C)CCO2)c(C#N)cn1 ZINC001104539042 738447510 /nfs/dbraw/zinc/44/75/10/738447510.db2.gz SGJPFSYFIYBCAL-XJKSGUPXSA-N 1 1 331.420 0.273 20 30 ECEDMO Cc1cc(NC[C@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)c(C#N)cn1 ZINC001104539042 738447515 /nfs/dbraw/zinc/44/75/15/738447515.db2.gz SGJPFSYFIYBCAL-XJKSGUPXSA-N 1 1 331.420 0.273 20 30 ECEDMO CN(C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000987925041 751340732 /nfs/dbraw/zinc/34/07/32/751340732.db2.gz JOHIWXPEDIHTES-ZIAGYGMSSA-N 1 1 343.431 0.759 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069974611 790266918 /nfs/dbraw/zinc/26/69/18/790266918.db2.gz HPYXTUBZVSUDCH-KGLIPLIRSA-N 1 1 345.407 0.252 20 30 ECEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000969151166 731527061 /nfs/dbraw/zinc/52/70/61/731527061.db2.gz RJSRDTOMJYXJDZ-KBPBESRZSA-N 1 1 329.466 0.615 20 30 ECEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000969151220 731527165 /nfs/dbraw/zinc/52/71/65/731527165.db2.gz UDRGVEAHHVRFES-UONOGXRCSA-N 1 1 329.466 0.615 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H](n2ccnn2)C1 ZINC001069976908 790269821 /nfs/dbraw/zinc/26/98/21/790269821.db2.gz GCRLARNQUYCEMF-CVEARBPZSA-N 1 1 337.387 0.996 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H](n2ccnn2)C1 ZINC001069976908 790269827 /nfs/dbraw/zinc/26/98/27/790269827.db2.gz GCRLARNQUYCEMF-CVEARBPZSA-N 1 1 337.387 0.996 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCO[C@@H](CNc2cnc(C#N)cn2)C1 ZINC001111957157 738527150 /nfs/dbraw/zinc/52/71/50/738527150.db2.gz NKFKFVBOPDVYRM-AWEZNQCLSA-N 1 1 346.435 0.718 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cnc(C)cn3)C2)C1=O ZINC000969242490 731639116 /nfs/dbraw/zinc/63/91/16/731639116.db2.gz IEQUHMTZLDQVJP-CJNGLKHVSA-N 1 1 343.431 0.622 20 30 ECEDMO CC1(C)C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973007497 738535077 /nfs/dbraw/zinc/53/50/77/738535077.db2.gz YEZFLBOKIBKRKF-QWHCGFSZSA-N 1 1 343.387 0.132 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973007497 738535078 /nfs/dbraw/zinc/53/50/78/738535078.db2.gz YEZFLBOKIBKRKF-QWHCGFSZSA-N 1 1 343.387 0.132 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1)C1CC1 ZINC000973008231 738538904 /nfs/dbraw/zinc/53/89/04/738538904.db2.gz FAYYOHVJTORGCU-HNNXBMFYSA-N 1 1 343.431 0.947 20 30 ECEDMO CN(C(=O)C[N@H+]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1)C1CC1 ZINC000973008231 738538908 /nfs/dbraw/zinc/53/89/08/738538908.db2.gz FAYYOHVJTORGCU-HNNXBMFYSA-N 1 1 343.431 0.947 20 30 ECEDMO C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001041808221 782244725 /nfs/dbraw/zinc/24/47/25/782244725.db2.gz APPAFYRFLXBUDI-XPKDYRNWSA-N 1 1 329.404 0.225 20 30 ECEDMO C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001041808221 782244731 /nfs/dbraw/zinc/24/47/31/782244731.db2.gz APPAFYRFLXBUDI-XPKDYRNWSA-N 1 1 329.404 0.225 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3cn(C)nc3C)C2)C1=O ZINC000969416872 731838245 /nfs/dbraw/zinc/83/82/45/731838245.db2.gz CMXKVHLUSYCAGL-WBMJQRKESA-N 1 1 345.447 0.566 20 30 ECEDMO Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001041809137 782246914 /nfs/dbraw/zinc/24/69/14/782246914.db2.gz WUZXKRMTOYHXQN-HONMWMINSA-N 1 1 349.460 0.595 20 30 ECEDMO Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001041809137 782246924 /nfs/dbraw/zinc/24/69/24/782246924.db2.gz WUZXKRMTOYHXQN-HONMWMINSA-N 1 1 349.460 0.595 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)cc1 ZINC000969546105 731963606 /nfs/dbraw/zinc/96/36/06/731963606.db2.gz PMFRGPAUAJEJAL-OAHLLOKOSA-N 1 1 336.399 0.994 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3cnnn3CC)C2)C1=O ZINC000969624891 732007208 /nfs/dbraw/zinc/00/72/08/732007208.db2.gz OGQUJFGQIRSFBK-TZMCWYRMSA-N 1 1 346.435 0.135 20 30 ECEDMO CC1(C)C[N@@H+](CCN2CCCC2=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000973049161 738582717 /nfs/dbraw/zinc/58/27/17/738582717.db2.gz YMGGRRIMRRBYDX-HNNXBMFYSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)CCNC1=O ZINC000969933225 732532030 /nfs/dbraw/zinc/53/20/30/732532030.db2.gz GUCUNHUAFGFENK-CRAIPNDOSA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC001098526828 732608541 /nfs/dbraw/zinc/60/85/41/732608541.db2.gz PUZKFZGRIHJOBX-CQSZACIVSA-N 1 1 330.432 0.433 20 30 ECEDMO C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC001098526828 732608543 /nfs/dbraw/zinc/60/85/43/732608543.db2.gz PUZKFZGRIHJOBX-CQSZACIVSA-N 1 1 330.432 0.433 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC001098526828 732608544 /nfs/dbraw/zinc/60/85/44/732608544.db2.gz PUZKFZGRIHJOBX-CQSZACIVSA-N 1 1 330.432 0.433 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC001041820706 782270087 /nfs/dbraw/zinc/27/00/87/782270087.db2.gz VLNRQFXPODEZBU-GOSISDBHSA-N 1 1 348.447 0.771 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001078080097 782271226 /nfs/dbraw/zinc/27/12/26/782271226.db2.gz XTOZBOJRGUXILC-QZTJIDSGSA-N 1 1 338.411 0.268 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)C1 ZINC001041826958 782282668 /nfs/dbraw/zinc/28/26/68/782282668.db2.gz JCKFIAKSTCWYOQ-GOSISDBHSA-N 1 1 328.416 0.899 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001078093439 782294066 /nfs/dbraw/zinc/29/40/66/782294066.db2.gz OLKLKFLRTGXTTK-ZIAGYGMSSA-N 1 1 329.360 0.081 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccn3ccnc23)C1 ZINC001209413524 732888308 /nfs/dbraw/zinc/88/83/08/732888308.db2.gz HHRYGIUTBZCQDE-UKRRQHHQSA-N 1 1 339.399 0.134 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccn3ccnc23)C1 ZINC001209413524 732888312 /nfs/dbraw/zinc/88/83/12/732888312.db2.gz HHRYGIUTBZCQDE-UKRRQHHQSA-N 1 1 339.399 0.134 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CNc2cncc(C#N)n2)C(C)(C)C)C1 ZINC001125828866 738684043 /nfs/dbraw/zinc/68/40/43/738684043.db2.gz XWONIFPVIDTTNC-ZIAGYGMSSA-N 1 1 346.435 0.622 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CNc2cncc(C#N)n2)C(C)(C)C)C1 ZINC001125828866 738684045 /nfs/dbraw/zinc/68/40/45/738684045.db2.gz XWONIFPVIDTTNC-ZIAGYGMSSA-N 1 1 346.435 0.622 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3c[nH]nc3C)C2)C1=O ZINC000970243312 733259704 /nfs/dbraw/zinc/25/97/04/733259704.db2.gz BFDHXKPOLNKXHD-IAQYHMDHSA-N 1 1 331.420 0.555 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CCCC(=O)N(C)C)CC1 ZINC001098536602 733363572 /nfs/dbraw/zinc/36/35/72/733363572.db2.gz OKWAGDUFCBCAEA-UHFFFAOYSA-N 1 1 337.464 0.554 20 30 ECEDMO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC000970378612 733443487 /nfs/dbraw/zinc/44/34/87/733443487.db2.gz XMNDYMCUCNRJAR-WFASDCNBSA-N 1 1 333.432 0.975 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCN(C)C3=O)C2)c1 ZINC000970402329 733473938 /nfs/dbraw/zinc/47/39/38/733473938.db2.gz XQIQOZMLQMMXQR-MLGOLLRUSA-N 1 1 326.400 0.344 20 30 ECEDMO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC000970715326 733865181 /nfs/dbraw/zinc/86/51/81/733865181.db2.gz ZJNPHOAVMVDRPO-GFCCVEGCSA-N 1 1 326.404 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCCNC3=O)C2)nc1 ZINC000970762845 733920099 /nfs/dbraw/zinc/92/00/99/733920099.db2.gz GROOCBIWRKPHPP-WBMJQRKESA-N 1 1 326.400 0.392 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)Cc4ccccc43)[C@H]2C1 ZINC001083206418 733922542 /nfs/dbraw/zinc/92/25/42/733922542.db2.gz ZNZDFOTYGVUKCY-DLBZAZTESA-N 1 1 341.411 0.673 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)Cc4ccccc43)[C@H]2C1 ZINC001083206418 733922544 /nfs/dbraw/zinc/92/25/44/733922544.db2.gz ZNZDFOTYGVUKCY-DLBZAZTESA-N 1 1 341.411 0.673 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCN(CC)C3=O)C2)cn1 ZINC000970765793 733923703 /nfs/dbraw/zinc/92/37/03/733923703.db2.gz FYQGOJBXIYWQFH-SUMWQHHRSA-N 1 1 340.427 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC000970767000 733924790 /nfs/dbraw/zinc/92/47/90/733924790.db2.gz OEOMEIQDVRBAQM-CXAGYDPISA-N 1 1 340.427 0.734 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)C(N)=O)c1ccccc1O2 ZINC001098544337 734088220 /nfs/dbraw/zinc/08/82/20/734088220.db2.gz KMBAFAVWTCYBGJ-KBXCAEBGSA-N 1 1 327.384 0.580 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ccc(C)cc3=O)[C@H]2C1 ZINC001083210007 734176342 /nfs/dbraw/zinc/17/63/42/734176342.db2.gz GNUUUCPELYOZJV-JKSUJKDBSA-N 1 1 329.400 0.092 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971047311 734209694 /nfs/dbraw/zinc/20/96/94/734209694.db2.gz XMBWADRRDZDZEV-HNNXBMFYSA-N 1 1 325.376 0.278 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000973126809 738794412 /nfs/dbraw/zinc/79/44/12/738794412.db2.gz QOZKPLVTNHTFCB-ULQDDVLXSA-N 1 1 341.411 0.376 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000973126809 738794415 /nfs/dbraw/zinc/79/44/15/738794415.db2.gz QOZKPLVTNHTFCB-ULQDDVLXSA-N 1 1 341.411 0.376 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001078161500 782405961 /nfs/dbraw/zinc/40/59/61/782405961.db2.gz WOTCAIISYQLXGI-DJIMGWMZSA-N 1 1 349.475 0.905 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNc1cnc(C#N)cn1 ZINC001111584852 734275302 /nfs/dbraw/zinc/27/53/02/734275302.db2.gz QLTUSYPLWBWBHB-CQSZACIVSA-N 1 1 332.408 0.065 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(c3ccc(C#N)nn3)CCO2)C1 ZINC001104321432 734296478 /nfs/dbraw/zinc/29/64/78/734296478.db2.gz FAXUBHUFPLKKIY-UKRRQHHQSA-N 1 1 344.419 0.011 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC000973132193 738802966 /nfs/dbraw/zinc/80/29/66/738802966.db2.gz BSEHVYNDSUPAGN-YDHLFZDLSA-N 1 1 342.399 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC000973132193 738802972 /nfs/dbraw/zinc/80/29/72/738802972.db2.gz BSEHVYNDSUPAGN-YDHLFZDLSA-N 1 1 342.399 0.262 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1=O ZINC000971250907 734388736 /nfs/dbraw/zinc/38/87/36/734388736.db2.gz QRWKXRGDQMCRTN-HUUCEWRRSA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000971250907 734388743 /nfs/dbraw/zinc/38/87/43/734388743.db2.gz QRWKXRGDQMCRTN-HUUCEWRRSA-N 1 1 331.420 0.272 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC000971250907 734388747 /nfs/dbraw/zinc/38/87/47/734388747.db2.gz QRWKXRGDQMCRTN-HUUCEWRRSA-N 1 1 331.420 0.272 20 30 ECEDMO CN1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3C#N)C2)C1 ZINC000971267617 734410576 /nfs/dbraw/zinc/41/05/76/734410576.db2.gz OPTOEYUFIPDKDF-ROUUACIJSA-N 1 1 342.443 0.922 20 30 ECEDMO CN1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3C#N)C2)C1 ZINC000971267617 734410577 /nfs/dbraw/zinc/41/05/77/734410577.db2.gz OPTOEYUFIPDKDF-ROUUACIJSA-N 1 1 342.443 0.922 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3cc(C)n[nH]3)C2)C1=O ZINC000971326490 734449409 /nfs/dbraw/zinc/44/94/09/734449409.db2.gz NRPCRUZDQPNAHZ-HOTGVXAUSA-N 1 1 345.447 0.580 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3cccnc3)C2)C1=O ZINC000971348968 734462683 /nfs/dbraw/zinc/46/26/83/734462683.db2.gz ZGTIBAHEFJAQCA-IAGOWNOFSA-N 1 1 342.443 0.944 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC000971380714 734491110 /nfs/dbraw/zinc/49/11/10/734491110.db2.gz UTVXCXAGWCYXKN-ROUUACIJSA-N 1 1 342.443 0.922 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000971380714 734491112 /nfs/dbraw/zinc/49/11/12/734491112.db2.gz UTVXCXAGWCYXKN-ROUUACIJSA-N 1 1 342.443 0.922 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3ccc(C#N)nc3)CCO2)C1 ZINC001104350551 734527985 /nfs/dbraw/zinc/52/79/85/734527985.db2.gz ZKXODRREVWMNBF-PBHICJAKSA-N 1 1 343.431 0.616 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104350547 734528000 /nfs/dbraw/zinc/52/80/00/734528000.db2.gz ZILBAWPSFOOCCP-WMLDXEAASA-N 1 1 343.431 0.759 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001078168563 782419015 /nfs/dbraw/zinc/41/90/15/782419015.db2.gz ADGWOJAWWNMRGK-HUUCEWRRSA-N 1 1 334.420 0.469 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC000949515338 734540241 /nfs/dbraw/zinc/54/02/41/734540241.db2.gz MTHLWYBNZFWHIB-UHFFFAOYSA-N 1 1 331.416 0.878 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC000949515338 734540242 /nfs/dbraw/zinc/54/02/42/734540242.db2.gz MTHLWYBNZFWHIB-UHFFFAOYSA-N 1 1 331.416 0.878 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1)C1CCC1 ZINC001104352975 734596026 /nfs/dbraw/zinc/59/60/26/734596026.db2.gz MLUJUYRPYSNGOV-CQSZACIVSA-N 1 1 344.419 0.154 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(CCC=C)nn3)[C@H]2C1 ZINC001083219975 734677545 /nfs/dbraw/zinc/67/75/45/734677545.db2.gz WYCNLIYDBRXFQB-JKSUJKDBSA-N 1 1 329.404 0.403 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(CCC=C)nn3)[C@H]2C1 ZINC001083219975 734677548 /nfs/dbraw/zinc/67/75/48/734677548.db2.gz WYCNLIYDBRXFQB-JKSUJKDBSA-N 1 1 329.404 0.403 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3nnc(C)o3)C2)C1=O ZINC000971496755 734690507 /nfs/dbraw/zinc/69/05/07/734690507.db2.gz JRTYQTDFYNSZQM-UONOGXRCSA-N 1 1 347.419 0.240 20 30 ECEDMO C[N@H+](C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511418 734698075 /nfs/dbraw/zinc/69/80/75/734698075.db2.gz LNJTWHOUNJROIU-HZPDHXFCSA-N 1 1 338.473 0.757 20 30 ECEDMO C[N@@H+](C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511418 734698077 /nfs/dbraw/zinc/69/80/77/734698077.db2.gz LNJTWHOUNJROIU-HZPDHXFCSA-N 1 1 338.473 0.757 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3nn(C)cc3C)C2)C1=O ZINC000971528647 734715368 /nfs/dbraw/zinc/71/53/68/734715368.db2.gz OBXAFCQPYJHHJE-HUUCEWRRSA-N 1 1 345.447 0.662 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC000971632739 734843119 /nfs/dbraw/zinc/84/31/19/734843119.db2.gz INKMXJBAKHABBM-NWDGAFQWSA-N 1 1 327.812 0.809 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC000971632739 734843123 /nfs/dbraw/zinc/84/31/23/734843123.db2.gz INKMXJBAKHABBM-NWDGAFQWSA-N 1 1 327.812 0.809 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nnc(C)s2)C1 ZINC000971703551 734965108 /nfs/dbraw/zinc/96/51/08/734965108.db2.gz HNPHGAGTVBEGGR-GJZGRUSLSA-N 1 1 347.488 0.977 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nnc(C)s2)C1 ZINC000971703551 734965110 /nfs/dbraw/zinc/96/51/10/734965110.db2.gz HNPHGAGTVBEGGR-GJZGRUSLSA-N 1 1 347.488 0.977 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cnns2)C1 ZINC000971704030 734965475 /nfs/dbraw/zinc/96/54/75/734965475.db2.gz PXHFLSKLEQYMPX-HIFRSBDPSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cnns2)C1 ZINC000971704030 734965479 /nfs/dbraw/zinc/96/54/79/734965479.db2.gz PXHFLSKLEQYMPX-HIFRSBDPSA-N 1 1 333.461 0.668 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973189066 738877585 /nfs/dbraw/zinc/87/75/85/738877585.db2.gz LOTWRRDSOIGEPU-JOCQHMNTSA-N 1 1 326.360 0.469 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(Nc3cncc(C#N)n3)CCCC2)C1 ZINC001104379494 735057308 /nfs/dbraw/zinc/05/73/08/735057308.db2.gz WHOFXDPNJBJALS-CQSZACIVSA-N 1 1 344.419 0.520 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(Nc3cncc(C#N)n3)CCCC2)C1 ZINC001104379494 735057313 /nfs/dbraw/zinc/05/73/13/735057313.db2.gz WHOFXDPNJBJALS-CQSZACIVSA-N 1 1 344.419 0.520 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973189333 738878201 /nfs/dbraw/zinc/87/82/01/738878201.db2.gz QRCLCVUTGVTECW-MRVWCRGKSA-N 1 1 329.404 0.748 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973191052 738880269 /nfs/dbraw/zinc/88/02/69/738880269.db2.gz OMGHXQQBFJQWIM-UMVBOHGHSA-N 1 1 329.404 0.748 20 30 ECEDMO Cc1cccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)c1Cl ZINC001114989390 735150900 /nfs/dbraw/zinc/15/09/00/735150900.db2.gz RGROUYOVRDJMGP-VIKVFOODSA-N 1 1 346.818 0.948 20 30 ECEDMO Cc1cccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)c1Cl ZINC001114989390 735150903 /nfs/dbraw/zinc/15/09/03/735150903.db2.gz RGROUYOVRDJMGP-VIKVFOODSA-N 1 1 346.818 0.948 20 30 ECEDMO CC#CC[N@@H+](CCO)C1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 ZINC001098558514 735261586 /nfs/dbraw/zinc/26/15/86/735261586.db2.gz HNAIUJSYZQCSNN-UHFFFAOYSA-N 1 1 337.464 0.457 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972078669 735618998 /nfs/dbraw/zinc/61/89/98/735618998.db2.gz IUAXOVKTCJTIJG-HUUCEWRRSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3C#N)C2)NC1=O ZINC000972084807 735627295 /nfs/dbraw/zinc/62/72/95/735627295.db2.gz GGSZHSQEPXPWSC-JKSUJKDBSA-N 1 1 341.415 0.615 20 30 ECEDMO CN1C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3C#N)C2)NC1=O ZINC000972084807 735627298 /nfs/dbraw/zinc/62/72/98/735627298.db2.gz GGSZHSQEPXPWSC-JKSUJKDBSA-N 1 1 341.415 0.615 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)on2)[C@@H](n2ccnn2)C1 ZINC001069990457 790285584 /nfs/dbraw/zinc/28/55/84/790285584.db2.gz PCYKOFOUHANKKG-CABCVRRESA-N 1 1 340.387 0.822 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)on2)[C@@H](n2ccnn2)C1 ZINC001069990457 790285590 /nfs/dbraw/zinc/28/55/90/790285590.db2.gz PCYKOFOUHANKKG-CABCVRRESA-N 1 1 340.387 0.822 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972197514 735775664 /nfs/dbraw/zinc/77/56/64/735775664.db2.gz CWSJCYZSBGPLPJ-DZGCQCFKSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972197514 735775667 /nfs/dbraw/zinc/77/56/67/735775667.db2.gz CWSJCYZSBGPLPJ-DZGCQCFKSA-N 1 1 345.378 0.411 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1 ZINC000972243798 735837994 /nfs/dbraw/zinc/83/79/94/735837994.db2.gz YEINDLUHWVZROY-XJKCOSOUSA-N 1 1 341.415 0.511 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)C1=O ZINC000972271645 735869775 /nfs/dbraw/zinc/86/97/75/735869775.db2.gz LPNDJWJKJDLCNZ-YPMHNXCESA-N 1 1 335.383 0.482 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001058909056 751364791 /nfs/dbraw/zinc/36/47/91/751364791.db2.gz SPMMXLMEKMIECB-HOCLYGCPSA-N 1 1 329.404 0.109 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccncc3C#N)C2)C1 ZINC001058909056 751364796 /nfs/dbraw/zinc/36/47/96/751364796.db2.gz SPMMXLMEKMIECB-HOCLYGCPSA-N 1 1 329.404 0.109 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccn(C)c(=O)c1)CCO2 ZINC000972296241 735905312 /nfs/dbraw/zinc/90/53/12/735905312.db2.gz AXKZPSPCPMKCKA-KDOFPFPSSA-N 1 1 344.415 0.348 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccn(C)c(=O)c1)CCO2 ZINC000972296241 735905314 /nfs/dbraw/zinc/90/53/14/735905314.db2.gz AXKZPSPCPMKCKA-KDOFPFPSSA-N 1 1 344.415 0.348 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341229 735970022 /nfs/dbraw/zinc/97/00/22/735970022.db2.gz CCOISUMEKMPEDA-OAGGEKHMSA-N 1 1 326.400 0.712 20 30 ECEDMO C#CCC[NH+]1CCC2(CC1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 ZINC001098568612 735996232 /nfs/dbraw/zinc/99/62/32/735996232.db2.gz WIUSYNNSEXYTOX-AWEZNQCLSA-N 1 1 342.461 0.136 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000972387656 736059721 /nfs/dbraw/zinc/05/97/21/736059721.db2.gz UWGLOQXEQGXXGD-QGZVFWFLSA-N 1 1 348.451 0.921 20 30 ECEDMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001098569249 736062272 /nfs/dbraw/zinc/06/22/72/736062272.db2.gz CUPDZVZJUKSQDU-UHFFFAOYSA-N 1 1 343.427 0.199 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nn(CC)c3C)[C@H]2C1 ZINC001083250843 736086680 /nfs/dbraw/zinc/08/66/80/736086680.db2.gz NKXOJEDICWRWOL-ZWKOTPCHSA-N 1 1 344.459 0.997 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nn(CC)c3C)[C@H]2C1 ZINC001083250843 736086685 /nfs/dbraw/zinc/08/66/85/736086685.db2.gz NKXOJEDICWRWOL-ZWKOTPCHSA-N 1 1 344.459 0.997 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001078222676 782515372 /nfs/dbraw/zinc/51/53/72/782515372.db2.gz MCOPDVGTBNLDKK-OWCLPIDISA-N 1 1 337.464 0.905 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nnn3CC)C2)C1 ZINC000972410102 736142536 /nfs/dbraw/zinc/14/25/36/736142536.db2.gz RKVSTNWDEPIQJM-KRWDZBQOSA-N 1 1 331.420 0.547 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nnn3CC)C2)C1 ZINC000972410102 736142540 /nfs/dbraw/zinc/14/25/40/736142540.db2.gz RKVSTNWDEPIQJM-KRWDZBQOSA-N 1 1 331.420 0.547 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n3CCC4)C2)C1 ZINC000972417194 736155287 /nfs/dbraw/zinc/15/52/87/736155287.db2.gz RXPSJYIMSCNHKE-GOSISDBHSA-N 1 1 328.416 0.770 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n3CCC4)C2)C1 ZINC000972417194 736155289 /nfs/dbraw/zinc/15/52/89/736155289.db2.gz RXPSJYIMSCNHKE-GOSISDBHSA-N 1 1 328.416 0.770 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCn4cncc4C3)C2)C1 ZINC000972438702 736195831 /nfs/dbraw/zinc/19/58/31/736195831.db2.gz SYJPZFNYCXVJNJ-LPHOPBHVSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCn4cncc4C3)C2)C1 ZINC000972438702 736195834 /nfs/dbraw/zinc/19/58/34/736195834.db2.gz SYJPZFNYCXVJNJ-LPHOPBHVSA-N 1 1 342.443 0.772 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(N)=O)c3)C2)C1 ZINC000972439769 736197883 /nfs/dbraw/zinc/19/78/83/736197883.db2.gz XYAHPQAREXTNGM-LJQANCHMSA-N 1 1 341.411 0.726 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(N)=O)c3)C2)C1 ZINC000972439769 736197885 /nfs/dbraw/zinc/19/78/85/736197885.db2.gz XYAHPQAREXTNGM-LJQANCHMSA-N 1 1 341.411 0.726 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4ncnn43)C2)C1 ZINC000972453764 736237936 /nfs/dbraw/zinc/23/79/36/736237936.db2.gz PUOYHHOPKNIKCC-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4ncnn43)C2)C1 ZINC000972453764 736237940 /nfs/dbraw/zinc/23/79/40/736237940.db2.gz PUOYHHOPKNIKCC-GOSISDBHSA-N 1 1 339.399 0.670 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 ZINC000972471836 736283599 /nfs/dbraw/zinc/28/35/99/736283599.db2.gz OLIZXRXQJUCLOW-GOSISDBHSA-N 1 1 346.431 0.663 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3nccn3C)C2)C1 ZINC000972481082 736310010 /nfs/dbraw/zinc/31/00/10/736310010.db2.gz XNEROWYHCTUPMJ-GOSISDBHSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3nccn3C)C2)C1 ZINC000972481082 736310015 /nfs/dbraw/zinc/31/00/15/736310015.db2.gz XNEROWYHCTUPMJ-GOSISDBHSA-N 1 1 330.432 0.679 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972493107 736386125 /nfs/dbraw/zinc/38/61/25/736386125.db2.gz VUXOTZPWCOMAGP-SFHVURJKSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972493107 736386127 /nfs/dbraw/zinc/38/61/27/736386127.db2.gz VUXOTZPWCOMAGP-SFHVURJKSA-N 1 1 344.415 0.739 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H](C)OC2(CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC001098574870 736450406 /nfs/dbraw/zinc/45/04/06/736450406.db2.gz WDSPFVRKQSOVTM-UONOGXRCSA-N 1 1 348.447 0.507 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cn3)C2)C1 ZINC000972520569 736547174 /nfs/dbraw/zinc/54/71/74/736547174.db2.gz SOAVLYVTARQHOP-LJQANCHMSA-N 1 1 343.427 0.959 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cn3)C2)C1 ZINC000972520569 736547177 /nfs/dbraw/zinc/54/71/77/736547177.db2.gz SOAVLYVTARQHOP-LJQANCHMSA-N 1 1 343.427 0.959 20 30 ECEDMO C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC000972524662 736569678 /nfs/dbraw/zinc/56/96/78/736569678.db2.gz VHSOTMICTGEISY-LPHOPBHVSA-N 1 1 342.443 0.690 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001023251638 736621175 /nfs/dbraw/zinc/62/11/75/736621175.db2.gz WEHUFNLVKFOARK-UKRRQHHQSA-N 1 1 331.420 0.638 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3cc(C)n[nH]3)C2)C1=O ZINC001023255018 736624972 /nfs/dbraw/zinc/62/49/72/736624972.db2.gz NGZLEMUNZOTMCO-GOEBONIOSA-N 1 1 345.447 0.947 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4cccnc4C3)[C@H]2C1 ZINC001083259559 736646351 /nfs/dbraw/zinc/64/63/51/736646351.db2.gz HJPPNRPKXAQFKI-RYQLBKOJSA-N 1 1 325.412 0.731 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4cccnc4C3)[C@H]2C1 ZINC001083259559 736646354 /nfs/dbraw/zinc/64/63/54/736646354.db2.gz HJPPNRPKXAQFKI-RYQLBKOJSA-N 1 1 325.412 0.731 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)[nH]1 ZINC001023318091 736674246 /nfs/dbraw/zinc/67/42/46/736674246.db2.gz BXYWBQGJDHQEJF-ZDUSSCGKSA-N 1 1 344.419 0.353 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001023320209 736680222 /nfs/dbraw/zinc/68/02/22/736680222.db2.gz VUUJRGUTHNEXGE-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC000972553255 736712822 /nfs/dbraw/zinc/71/28/22/736712822.db2.gz CRTUXWYZAXVMKX-VKJFTORMSA-N 1 1 335.448 0.767 20 30 ECEDMO N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001023411370 736795041 /nfs/dbraw/zinc/79/50/41/736795041.db2.gz DKKHRASTGMSJMO-WBVHZDCISA-N 1 1 334.464 0.982 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)nc1 ZINC001067461543 736862986 /nfs/dbraw/zinc/86/29/86/736862986.db2.gz BODHHCASIOCYNJ-MRXNPFEDSA-N 1 1 342.443 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001023468507 736879783 /nfs/dbraw/zinc/87/97/83/736879783.db2.gz WKPUQUXPACQSHW-LBPRGKRZSA-N 1 1 328.372 0.488 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)NC)n3)[C@H]2C1 ZINC001083261292 736914952 /nfs/dbraw/zinc/91/49/52/736914952.db2.gz NNHOWHYUUWOSRS-JKSUJKDBSA-N 1 1 344.415 0.543 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001023521914 736950729 /nfs/dbraw/zinc/95/07/29/736950729.db2.gz ODFBQOIOBFNIFX-ZDUSSCGKSA-N 1 1 344.423 0.712 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC001023543460 736986897 /nfs/dbraw/zinc/98/68/97/736986897.db2.gz MFPFIXIYLLUPIJ-OAHLLOKOSA-N 1 1 339.403 0.724 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001023543395 736987133 /nfs/dbraw/zinc/98/71/33/736987133.db2.gz KOBLRCUTMUVDII-CYBMUJFWSA-N 1 1 339.403 0.724 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001023543395 736987136 /nfs/dbraw/zinc/98/71/36/736987136.db2.gz KOBLRCUTMUVDII-CYBMUJFWSA-N 1 1 339.403 0.724 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)c1 ZINC001023584179 737037229 /nfs/dbraw/zinc/03/72/29/737037229.db2.gz VUJMESGUQFHQLS-ZBFHGGJFSA-N 1 1 342.443 0.981 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001023583092 737039491 /nfs/dbraw/zinc/03/94/91/737039491.db2.gz XLFLSLGKVHWNFJ-MRXNPFEDSA-N 1 1 340.427 0.737 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)nn3C)C2)C1 ZINC000972611832 737096677 /nfs/dbraw/zinc/09/66/77/737096677.db2.gz MXNGNRMXENRXTQ-GOSISDBHSA-N 1 1 330.432 0.923 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)nn3C)C2)C1 ZINC000972611832 737096679 /nfs/dbraw/zinc/09/66/79/737096679.db2.gz MXNGNRMXENRXTQ-GOSISDBHSA-N 1 1 330.432 0.923 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC000972616531 737104101 /nfs/dbraw/zinc/10/41/01/737104101.db2.gz ZYPZGOVOXGESPG-KRWDZBQOSA-N 1 1 332.404 0.607 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(CCC)nn3)C2)C1 ZINC000972618439 737110093 /nfs/dbraw/zinc/11/00/93/737110093.db2.gz YTZAZKMWKVGFGX-QGZVFWFLSA-N 1 1 331.420 0.628 20 30 ECEDMO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(CCC)nn3)C2)C1 ZINC000972618439 737110094 /nfs/dbraw/zinc/11/00/94/737110094.db2.gz YTZAZKMWKVGFGX-QGZVFWFLSA-N 1 1 331.420 0.628 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001023626440 737111335 /nfs/dbraw/zinc/11/13/35/737111335.db2.gz ZFQBPCHUAJZEAA-ZDUSSCGKSA-N 1 1 334.420 0.102 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)nn1 ZINC001023637048 737123573 /nfs/dbraw/zinc/12/35/73/737123573.db2.gz BPBHBGSQEYFBSV-HUUCEWRRSA-N 1 1 333.436 0.942 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3nnc[nH]3)C2)C1=O ZINC001023655593 737155200 /nfs/dbraw/zinc/15/52/00/737155200.db2.gz KXFDSQOOEYHYLI-QWHCGFSZSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](CNC(=O)c3ncn[nH]3)C2)C1=O ZINC001023655593 737155201 /nfs/dbraw/zinc/15/52/01/737155201.db2.gz KXFDSQOOEYHYLI-QWHCGFSZSA-N 1 1 332.408 0.033 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3ncn[nH]3)C2)C1=O ZINC001023655593 737155205 /nfs/dbraw/zinc/15/52/05/737155205.db2.gz KXFDSQOOEYHYLI-QWHCGFSZSA-N 1 1 332.408 0.033 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972638882 737201411 /nfs/dbraw/zinc/20/14/11/737201411.db2.gz OIDHSAAHQIAIAU-KXBFYZLASA-N 1 1 342.443 0.841 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972638882 737201414 /nfs/dbraw/zinc/20/14/14/737201414.db2.gz OIDHSAAHQIAIAU-KXBFYZLASA-N 1 1 342.443 0.841 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972639054 737202607 /nfs/dbraw/zinc/20/26/07/737202607.db2.gz OZFCOQUFHFUIOZ-KSSFIOAISA-N 1 1 345.447 0.789 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N(C)C)C2)cn1 ZINC001023711267 737219360 /nfs/dbraw/zinc/21/93/60/737219360.db2.gz YHBCZAMNBOAIRP-CQSZACIVSA-N 1 1 328.416 0.593 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)cn1 ZINC001023709845 737227950 /nfs/dbraw/zinc/22/79/50/737227950.db2.gz CZPOWGCEZFRKSD-ZIAGYGMSSA-N 1 1 328.416 0.639 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 ZINC000972676595 737354723 /nfs/dbraw/zinc/35/47/23/737354723.db2.gz KDSCXCZMVRHXHQ-SFHVURJKSA-N 1 1 331.416 0.728 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 ZINC000972676985 737357026 /nfs/dbraw/zinc/35/70/26/737357026.db2.gz NMSLHXMEGOIAOV-SFHVURJKSA-N 1 1 329.400 0.175 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 ZINC000972676985 737357032 /nfs/dbraw/zinc/35/70/32/737357032.db2.gz NMSLHXMEGOIAOV-SFHVURJKSA-N 1 1 329.400 0.175 20 30 ECEDMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001023944184 737504893 /nfs/dbraw/zinc/50/48/93/737504893.db2.gz JMYHIIIETNHBAS-LLVKDONJSA-N 1 1 328.380 0.052 20 30 ECEDMO CN(C)c1noc(C[NH2+]C[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001023979923 737578471 /nfs/dbraw/zinc/57/84/71/737578471.db2.gz VZLDKKRHJRBMFQ-CQSZACIVSA-N 1 1 331.420 0.877 20 30 ECEDMO C#CCC[N@H+](CCO)C1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 ZINC001098583806 737618500 /nfs/dbraw/zinc/61/85/00/737618500.db2.gz FHSUDNKQWFQWJZ-UHFFFAOYSA-N 1 1 344.415 0.103 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001024122274 737733483 /nfs/dbraw/zinc/73/34/83/737733483.db2.gz UISVBHNUZMPKTL-BZUAXINKSA-N 1 1 349.475 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H](C[NH2+]Cc3nnn(C)n3)C2)nc1 ZINC001024240079 737845995 /nfs/dbraw/zinc/84/59/95/737845995.db2.gz GRBWDSHNZDXULU-CQSZACIVSA-N 1 1 339.403 0.228 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)C2=COCCO2)C1=O ZINC001024316367 737898201 /nfs/dbraw/zinc/89/82/01/737898201.db2.gz OCBAYJNSFCTSAU-LSDHHAIUSA-N 1 1 349.431 0.632 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)C2=COCCO2)C1=O ZINC001024316367 737898202 /nfs/dbraw/zinc/89/82/02/737898202.db2.gz OCBAYJNSFCTSAU-LSDHHAIUSA-N 1 1 349.431 0.632 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2ccnn2C)C1=O ZINC001024360738 737913702 /nfs/dbraw/zinc/91/37/02/737913702.db2.gz WFNYSYCLHSLFIX-GDBMZVCRSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2ccnn2C)C1=O ZINC001024360738 737913704 /nfs/dbraw/zinc/91/37/04/737913704.db2.gz WFNYSYCLHSLFIX-GDBMZVCRSA-N 1 1 345.447 0.791 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2O)C1 ZINC001111592919 737970390 /nfs/dbraw/zinc/97/03/90/737970390.db2.gz ZPBADNGAGUHNPU-LIRRHRJNSA-N 1 1 341.411 0.726 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2O)C1 ZINC001111592919 737970395 /nfs/dbraw/zinc/97/03/95/737970395.db2.gz ZPBADNGAGUHNPU-LIRRHRJNSA-N 1 1 341.411 0.726 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1nccn1C ZINC001024488395 738015846 /nfs/dbraw/zinc/01/58/46/738015846.db2.gz YEJNDPSHTWUIPN-IRXDYDNUSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1nccn1C ZINC001024488395 738015849 /nfs/dbraw/zinc/01/58/49/738015849.db2.gz YEJNDPSHTWUIPN-IRXDYDNUSA-N 1 1 343.475 0.988 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCn1cccn1 ZINC001024488337 738016032 /nfs/dbraw/zinc/01/60/32/738016032.db2.gz XKCCDRVAVQIVBY-MSOLQXFVSA-N 1 1 343.475 0.951 20 30 ECEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001024515556 738049425 /nfs/dbraw/zinc/04/94/25/738049425.db2.gz VESFIWYWQMWTMS-ZIAGYGMSSA-N 1 1 331.420 0.540 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)C2CCN([C@@H](CC)C(N)=O)CC2)CC1 ZINC001006446461 751392398 /nfs/dbraw/zinc/39/23/98/751392398.db2.gz ZUYNQBNXGKYSTD-KRWDZBQOSA-N 1 1 348.491 0.518 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cnn(C)c2)nn1 ZINC001024700032 738229904 /nfs/dbraw/zinc/22/99/04/738229904.db2.gz VLHIHCOYUQKFCM-OAHLLOKOSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cnn(C)c2)nn1 ZINC001024700032 738229908 /nfs/dbraw/zinc/22/99/08/738229908.db2.gz VLHIHCOYUQKFCM-OAHLLOKOSA-N 1 1 343.435 0.982 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3nc4ncccn4n3)C(C)(C)[C@@H]21 ZINC001087308851 738232050 /nfs/dbraw/zinc/23/20/50/738232050.db2.gz WUSZLCXDZTXOSZ-MGPQQGTHSA-N 1 1 338.415 0.976 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CC(=O)N(C)C3=O)C(C)(C)[C@H]21 ZINC001087312715 738250719 /nfs/dbraw/zinc/25/07/19/738250719.db2.gz JGLGIYPPYRGROK-KCXAZCMYSA-N 1 1 346.431 0.119 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC(N)=O)[C@@H]3C2(C)C)nc1 ZINC001087315194 738263311 /nfs/dbraw/zinc/26/33/11/738263311.db2.gz XPCISTNPTHHQFC-XYPHTWIQSA-N 1 1 340.427 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CC(N)=O)[C@@H]3C2(C)C)nc1 ZINC001087315194 738263313 /nfs/dbraw/zinc/26/33/13/738263313.db2.gz XPCISTNPTHHQFC-XYPHTWIQSA-N 1 1 340.427 0.767 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001024746957 738268125 /nfs/dbraw/zinc/26/81/25/738268125.db2.gz KBYBTNDEZHTHQZ-CABCVRRESA-N 1 1 331.420 0.847 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C(C)(C)[C@H]21 ZINC001087316883 738272660 /nfs/dbraw/zinc/27/26/60/738272660.db2.gz YWPLJNTUIFNADU-KBMXLJTQSA-N 1 1 347.463 0.681 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN1C(=O)CCC1=O ZINC001087317531 738284068 /nfs/dbraw/zinc/28/40/68/738284068.db2.gz JMNGNZYYTSSUMD-JEBQAFNWSA-N 1 1 345.443 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)C(C)(C)[C@H]21 ZINC001087318957 738286524 /nfs/dbraw/zinc/28/65/24/738286524.db2.gz GRTNTDZEABERTI-YUELXQCFSA-N 1 1 328.416 0.966 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2nonc2C)C1=O ZINC001024824918 738326079 /nfs/dbraw/zinc/32/60/79/738326079.db2.gz ALGPQSKWAKZXLD-ZIAGYGMSSA-N 1 1 347.419 0.749 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2nonc2C)C1=O ZINC001024824918 738326083 /nfs/dbraw/zinc/32/60/83/738326083.db2.gz ALGPQSKWAKZXLD-ZIAGYGMSSA-N 1 1 347.419 0.749 20 30 ECEDMO CNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C#CC1CC1)C[C@H](C)O2 ZINC001098591657 738358251 /nfs/dbraw/zinc/35/82/51/738358251.db2.gz BILIZOVJFHBFNC-AWEZNQCLSA-N 1 1 333.432 0.228 20 30 ECEDMO Cn1cnnc1C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001024916375 738394091 /nfs/dbraw/zinc/39/40/91/738394091.db2.gz IBSABTZWXIXPFQ-CYBMUJFWSA-N 1 1 327.392 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1ncn(C)c1=O ZINC001025251008 738934259 /nfs/dbraw/zinc/93/42/59/738934259.db2.gz GSTYEYNUOVYXST-CVEARBPZSA-N 1 1 345.447 0.451 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025259640 738944778 /nfs/dbraw/zinc/94/47/78/738944778.db2.gz SENRXNTVHNKOGF-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025297903 739018743 /nfs/dbraw/zinc/01/87/43/739018743.db2.gz RTJYNLKOHNBANE-GJZGRUSLSA-N 1 1 346.431 0.407 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN1C(=O)CCC1=O ZINC001025298328 739019469 /nfs/dbraw/zinc/01/94/69/739019469.db2.gz WESMEJYHUAPAPS-LSDHHAIUSA-N 1 1 331.416 0.614 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1nc(C)n(C)c1=O ZINC001025298679 739019478 /nfs/dbraw/zinc/01/94/78/739019478.db2.gz YTVSBMLNIAXLRK-CVEARBPZSA-N 1 1 345.447 0.369 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000973289169 739052217 /nfs/dbraw/zinc/05/22/17/739052217.db2.gz HFCQTLQRFGUXLM-KZNAEPCWSA-N 1 1 339.439 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000973320253 739093682 /nfs/dbraw/zinc/09/36/82/739093682.db2.gz YFRKLVNCMNPVAV-VIQHNZTISA-N 1 1 329.444 0.894 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000973320253 739093683 /nfs/dbraw/zinc/09/36/83/739093683.db2.gz YFRKLVNCMNPVAV-VIQHNZTISA-N 1 1 329.444 0.894 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3nc(C4CC4)nn3C)[C@H]2C1 ZINC001083279819 739106833 /nfs/dbraw/zinc/10/68/33/739106833.db2.gz QWMFQAXBZNFWRI-LSDHHAIUSA-N 1 1 345.447 0.723 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cncs2)C1 ZINC000973371908 739166654 /nfs/dbraw/zinc/16/66/54/739166654.db2.gz FLDXLSZWRJDPEF-YDHLFZDLSA-N 1 1 346.456 0.547 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2cncs2)C1 ZINC000973371908 739166656 /nfs/dbraw/zinc/16/66/56/739166656.db2.gz FLDXLSZWRJDPEF-YDHLFZDLSA-N 1 1 346.456 0.547 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCCN(C)C2=O)nn1 ZINC001028187181 751419200 /nfs/dbraw/zinc/41/92/00/751419200.db2.gz FBBCSZXKTIUVFO-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCn2cccn2)nn1 ZINC001028187906 751419771 /nfs/dbraw/zinc/41/97/71/751419771.db2.gz QBVCIXXUGHFVCQ-AWEZNQCLSA-N 1 1 329.408 0.555 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCCC2=O)nn1 ZINC001028188126 751420962 /nfs/dbraw/zinc/42/09/62/751420962.db2.gz UMNFPTLGQYKSGG-CQSZACIVSA-N 1 1 346.435 0.281 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N(C)C2CC2)nn1 ZINC001028188307 751423589 /nfs/dbraw/zinc/42/35/89/751423589.db2.gz ZKBMLAUKPRJWBW-CQSZACIVSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N(C)C2CC2)nn1 ZINC001028188307 751423596 /nfs/dbraw/zinc/42/35/96/751423596.db2.gz ZKBMLAUKPRJWBW-CQSZACIVSA-N 1 1 346.435 0.279 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000973410384 739223758 /nfs/dbraw/zinc/22/37/58/739223758.db2.gz JLLHQHKGIPLZTH-JYJNAYRXSA-N 1 1 343.431 0.053 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC000973410841 739224576 /nfs/dbraw/zinc/22/45/76/739224576.db2.gz VUHODTHXIQTFQI-KKUMJFAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC000973410841 739224578 /nfs/dbraw/zinc/22/45/78/739224578.db2.gz VUHODTHXIQTFQI-KKUMJFAQSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1CC ZINC001058912460 751425688 /nfs/dbraw/zinc/42/56/88/751425688.db2.gz QAGCMTJKKKNYDN-OAGGEKHMSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1CC ZINC001058912460 751425690 /nfs/dbraw/zinc/42/56/90/751425690.db2.gz QAGCMTJKKKNYDN-OAGGEKHMSA-N 1 1 335.448 0.067 20 30 ECEDMO C[C@@H](CNc1nccnc1C#N)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001104622672 739254433 /nfs/dbraw/zinc/25/44/33/739254433.db2.gz JULVFQMNDLJXBW-ZDUSSCGKSA-N 1 1 332.408 0.329 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N(C)C)nn1 ZINC001028191959 751429469 /nfs/dbraw/zinc/42/94/69/751429469.db2.gz DPKPXLBUTMICBK-ZDUSSCGKSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)C)nn1 ZINC001028191959 751429473 /nfs/dbraw/zinc/42/94/73/751429473.db2.gz DPKPXLBUTMICBK-ZDUSSCGKSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCN(C)C2=O)nn1 ZINC001028193274 751434988 /nfs/dbraw/zinc/43/49/88/751434988.db2.gz ZNXTWJSFBARMRD-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCN(C)C2=O)nn1 ZINC001028193274 751434991 /nfs/dbraw/zinc/43/49/91/751434991.db2.gz ZNXTWJSFBARMRD-UKRRQHHQSA-N 1 1 346.435 0.279 20 30 ECEDMO C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001025389672 739353035 /nfs/dbraw/zinc/35/30/35/739353035.db2.gz YWUPUMNLLNJFOB-QWHCGFSZSA-N 1 1 331.420 0.805 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001025390087 739354325 /nfs/dbraw/zinc/35/43/25/739354325.db2.gz IGKCQYIRIRTALD-KBPBESRZSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000973485094 739379284 /nfs/dbraw/zinc/37/92/84/739379284.db2.gz IIYSSXMIFSEFKH-KBRIMQKVSA-N 1 1 340.427 0.782 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001025457371 739561613 /nfs/dbraw/zinc/56/16/13/739561613.db2.gz BQUXATWLYWBUJG-NEPJUHHUSA-N 1 1 341.433 0.943 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3nnnn3c2)C1 ZINC001025488612 739652795 /nfs/dbraw/zinc/65/27/95/739652795.db2.gz KGCSDIZCWAXEIG-UONOGXRCSA-N 1 1 326.404 0.978 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)c1 ZINC001025529581 739691911 /nfs/dbraw/zinc/69/19/11/739691911.db2.gz CGHJGNMCPJELSF-HOCLYGCPSA-N 1 1 342.443 0.981 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001025544828 739706066 /nfs/dbraw/zinc/70/60/66/739706066.db2.gz CCRSUYSNCHYFCE-UONOGXRCSA-N 1 1 348.447 0.490 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2nc3ncccn3n2)C1 ZINC001025571550 739735162 /nfs/dbraw/zinc/73/51/62/739735162.db2.gz RHZCCWFQFXFAKN-KGLIPLIRSA-N 1 1 326.404 0.978 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001028202566 751482406 /nfs/dbraw/zinc/48/24/06/751482406.db2.gz CXYOQTNXADIHQX-CYBMUJFWSA-N 1 1 327.388 0.549 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)c1ccc(C#N)nn1 ZINC001100752968 739785714 /nfs/dbraw/zinc/78/57/14/739785714.db2.gz AJRYBNKYZFKBCU-HNNXBMFYSA-N 1 1 326.404 0.388 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)c1ccc(C#N)nn1 ZINC001100752968 739785717 /nfs/dbraw/zinc/78/57/17/739785717.db2.gz AJRYBNKYZFKBCU-HNNXBMFYSA-N 1 1 326.404 0.388 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4C[C@@]45CCOC5)C[C@H]32)c1 ZINC001025723484 739896103 /nfs/dbraw/zinc/89/61/03/739896103.db2.gz LSQANSKSLGOPEE-BEHLRCOKSA-N 1 1 326.400 0.973 20 30 ECEDMO COCC#CC[N@@H+](CCO)C1CCN(C(=O)C[C@H](C)COC)CC1 ZINC001098515960 751493458 /nfs/dbraw/zinc/49/34/58/751493458.db2.gz NLENJUWSNCWYKD-INIZCTEOSA-N 1 1 340.464 0.594 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025791182 739954472 /nfs/dbraw/zinc/95/44/72/739954472.db2.gz CGYIUZODNZDZAV-JHMPBIJASA-N 1 1 347.459 0.635 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)C3CCOCC3)C2)C1=O ZINC001006540602 751496505 /nfs/dbraw/zinc/49/65/05/751496505.db2.gz BLYMVCHQGQSGST-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)C3CCOCC3)C2)C1=O ZINC001006540602 751496509 /nfs/dbraw/zinc/49/65/09/751496509.db2.gz BLYMVCHQGQSGST-JKSUJKDBSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](OC)C3CCC3)C[C@H]21 ZINC001025814080 739996947 /nfs/dbraw/zinc/99/69/47/739996947.db2.gz OPBIUUXSPQBJKY-XCDZQEORSA-N 1 1 345.487 0.946 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)C[N@H+]1CC[C@H](C)C1)CCO2 ZINC001068464099 790321391 /nfs/dbraw/zinc/32/13/91/790321391.db2.gz XBKVZBZGRGEAKC-INIZCTEOSA-N 1 1 347.459 0.427 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070009202 790313116 /nfs/dbraw/zinc/31/31/16/790313116.db2.gz OUYPVRSMGRRSCI-CABCVRRESA-N 1 1 342.403 0.831 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070009202 790313120 /nfs/dbraw/zinc/31/31/20/790313120.db2.gz OUYPVRSMGRRSCI-CABCVRRESA-N 1 1 342.403 0.831 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001026055135 740343097 /nfs/dbraw/zinc/34/30/97/740343097.db2.gz YGIARZZMYCCGFM-AQJNHPFGSA-N 1 1 333.432 0.291 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCCOC2)C1=O ZINC001026146589 740420834 /nfs/dbraw/zinc/42/08/34/740420834.db2.gz IXMCSERMWACLRV-QFXBJFAPSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCO)C2)nn1 ZINC001087393230 740444732 /nfs/dbraw/zinc/44/47/32/740444732.db2.gz UIIGKBHCZYMYOG-YXWQFLTLSA-N 1 1 331.420 0.239 20 30 ECEDMO CN(C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccc(C#N)nn1 ZINC001058690644 740480449 /nfs/dbraw/zinc/48/04/49/740480449.db2.gz PVUVFFZWQLVWIW-CABCVRRESA-N 1 1 342.447 0.975 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2nccnc2C#N)C1 ZINC001104794675 740515610 /nfs/dbraw/zinc/51/56/10/740515610.db2.gz KUUMXPJPQVPHCL-DZGCQCFKSA-N 1 1 346.435 0.716 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNc2nccnc2C#N)C1 ZINC001104794675 740515614 /nfs/dbraw/zinc/51/56/14/740515614.db2.gz KUUMXPJPQVPHCL-DZGCQCFKSA-N 1 1 346.435 0.716 20 30 ECEDMO CN(CCCN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001112055830 740679452 /nfs/dbraw/zinc/67/94/52/740679452.db2.gz VPCNBSWMVBUWRL-INIZCTEOSA-N 1 1 331.420 0.569 20 30 ECEDMO CN(CCCN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001112055830 740679455 /nfs/dbraw/zinc/67/94/55/740679455.db2.gz VPCNBSWMVBUWRL-INIZCTEOSA-N 1 1 331.420 0.569 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000973993989 740741157 /nfs/dbraw/zinc/74/11/57/740741157.db2.gz ANTXOWMNDDXEMI-KNCOVGOOSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001104862342 740749066 /nfs/dbraw/zinc/74/90/66/740749066.db2.gz JDHYSTQTRONOBW-KBPBESRZSA-N 1 1 330.436 0.903 20 30 ECEDMO C[C@H](CNc1ccncc1C#N)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104869397 740767326 /nfs/dbraw/zinc/76/73/26/740767326.db2.gz VAZUOUCCYSNFEM-XJKCOSOUSA-N 1 1 331.420 0.353 20 30 ECEDMO C[C@H](CNc1ccncc1C#N)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104869397 740767328 /nfs/dbraw/zinc/76/73/28/740767328.db2.gz VAZUOUCCYSNFEM-XJKCOSOUSA-N 1 1 331.420 0.353 20 30 ECEDMO C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104869369 740767456 /nfs/dbraw/zinc/76/74/56/740767456.db2.gz ULCQPAGNVISQIZ-YRGRVCCFSA-N 1 1 332.408 0.326 20 30 ECEDMO C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104869369 740767457 /nfs/dbraw/zinc/76/74/57/740767457.db2.gz ULCQPAGNVISQIZ-YRGRVCCFSA-N 1 1 332.408 0.326 20 30 ECEDMO C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104870183 740770531 /nfs/dbraw/zinc/77/05/31/740770531.db2.gz QXECBMJAINGIRH-YRGRVCCFSA-N 1 1 332.408 0.326 20 30 ECEDMO C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104870183 740770534 /nfs/dbraw/zinc/77/05/34/740770534.db2.gz QXECBMJAINGIRH-YRGRVCCFSA-N 1 1 332.408 0.326 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001104870073 740770540 /nfs/dbraw/zinc/77/05/40/740770540.db2.gz NPAUEPMFLPSNLP-UMVBOHGHSA-N 1 1 346.435 0.635 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001104870073 740770542 /nfs/dbraw/zinc/77/05/42/740770542.db2.gz NPAUEPMFLPSNLP-UMVBOHGHSA-N 1 1 346.435 0.635 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000974037543 740817167 /nfs/dbraw/zinc/81/71/67/740817167.db2.gz OZMZTXPOTKQCOS-XUWVNRHRSA-N 1 1 333.432 0.417 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCCO2)C1 ZINC000974037543 740817170 /nfs/dbraw/zinc/81/71/70/740817170.db2.gz OZMZTXPOTKQCOS-XUWVNRHRSA-N 1 1 333.432 0.417 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000974048369 740845552 /nfs/dbraw/zinc/84/55/52/740845552.db2.gz CZKVBKBPJVSLQD-FPMFFAJLSA-N 1 1 329.404 0.605 20 30 ECEDMO CC(C)C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001104925713 740953616 /nfs/dbraw/zinc/95/36/16/740953616.db2.gz AOTDOFAZPZTPFB-UKRRQHHQSA-N 1 1 346.435 0.622 20 30 ECEDMO CC(C)C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001104925713 740953620 /nfs/dbraw/zinc/95/36/20/740953620.db2.gz AOTDOFAZPZTPFB-UKRRQHHQSA-N 1 1 346.435 0.622 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)[C@H]2C1 ZINC001083294397 740970114 /nfs/dbraw/zinc/97/01/14/740970114.db2.gz ZCLVWSAYVVZGRY-JKSUJKDBSA-N 1 1 342.399 0.990 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)[C@H]2C1 ZINC001083294397 740970118 /nfs/dbraw/zinc/97/01/18/740970118.db2.gz ZCLVWSAYVVZGRY-JKSUJKDBSA-N 1 1 342.399 0.990 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1C(F)(F)F ZINC001112064944 740973110 /nfs/dbraw/zinc/97/31/10/740973110.db2.gz YKQNCANIGJNSOB-IJLUTSLNSA-N 1 1 349.353 0.304 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC000974262725 741192214 /nfs/dbraw/zinc/19/22/14/741192214.db2.gz GLMYBBFWWCENDY-LOWVWBTDSA-N 1 1 348.428 0.323 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC000974262725 741192219 /nfs/dbraw/zinc/19/22/19/741192219.db2.gz GLMYBBFWWCENDY-LOWVWBTDSA-N 1 1 348.428 0.323 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000974294628 741262266 /nfs/dbraw/zinc/26/22/66/741262266.db2.gz SSJYDHRWCNECEO-IXDOHACOSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nc1 ZINC000974344598 741358886 /nfs/dbraw/zinc/35/88/86/741358886.db2.gz DCCKTWYBZIZVQQ-HNKHHVNMSA-N 1 1 340.427 0.638 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)n3cccn3)C2)nn1 ZINC001098618448 741389186 /nfs/dbraw/zinc/38/91/86/741389186.db2.gz BECPMMAKPFXYNL-UKRRQHHQSA-N 1 1 329.408 0.785 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(n2cc(C[NH2+]CCOCC3CCC3)nn2)C1 ZINC001105190206 741453612 /nfs/dbraw/zinc/45/36/12/741453612.db2.gz SMGVCEURMMPRFM-ZDUSSCGKSA-N 1 1 346.435 0.727 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)nn1 ZINC001105240330 741531032 /nfs/dbraw/zinc/53/10/32/741531032.db2.gz IKAQHIKWFPOKIQ-CQSZACIVSA-N 1 1 341.419 0.780 20 30 ECEDMO C=CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240501 741531482 /nfs/dbraw/zinc/53/14/82/741531482.db2.gz PNTYZNBMTXQUBW-GOEBONIOSA-N 1 1 344.463 0.811 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240563 741533413 /nfs/dbraw/zinc/53/34/13/741533413.db2.gz RRMJEKRHZWCBJD-GOEBONIOSA-N 1 1 342.447 0.259 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3nn(C)cc3Cl)C2)nn1 ZINC001105249354 741553221 /nfs/dbraw/zinc/55/32/21/741553221.db2.gz QZBHJZFCBAWXST-UHFFFAOYSA-N 1 1 335.799 0.638 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cnn(C)c3C)C2)nn1 ZINC001105259850 741586477 /nfs/dbraw/zinc/58/64/77/741586477.db2.gz OSHZSOYLBOSAHD-UHFFFAOYSA-N 1 1 329.408 0.222 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)c3cn(CC(=O)N(C)C)nn3)C2)C1 ZINC000982163491 751653349 /nfs/dbraw/zinc/65/33/49/751653349.db2.gz CKAFQEICTAJYNJ-UHFFFAOYSA-N 1 1 346.435 0.090 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4ccccn34)C2)nn1 ZINC001105275550 741622115 /nfs/dbraw/zinc/62/21/15/741622115.db2.gz UKWZLAJLCZLJTL-UHFFFAOYSA-N 1 1 337.387 0.899 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)nnc3C)C2)nn1 ZINC001105292281 741655664 /nfs/dbraw/zinc/65/56/64/741655664.db2.gz IENQUFHVISHSAS-UHFFFAOYSA-N 1 1 341.419 0.912 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nn(C)c3C)C2)nn1 ZINC001105295049 741667360 /nfs/dbraw/zinc/66/73/60/741667360.db2.gz WLRCOXBZBVWGSR-UHFFFAOYSA-N 1 1 343.435 0.991 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)cc1 ZINC001105295003 741667456 /nfs/dbraw/zinc/66/74/56/741667456.db2.gz UACZGFTXXNDBGI-UHFFFAOYSA-N 1 1 325.372 0.038 20 30 ECEDMO C#CCCCCC(=O)NCC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001125938804 741682071 /nfs/dbraw/zinc/68/20/71/741682071.db2.gz KRKNKYMWNPNEDQ-UHFFFAOYSA-N 1 1 332.330 0.635 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1nccnc1C#N ZINC001105302747 741696511 /nfs/dbraw/zinc/69/65/11/741696511.db2.gz SUCMCSIWFWXDOT-VHDGCEQUSA-N 1 1 346.435 0.620 20 30 ECEDMO CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1nccnc1C#N ZINC001105302747 741696513 /nfs/dbraw/zinc/69/65/13/741696513.db2.gz SUCMCSIWFWXDOT-VHDGCEQUSA-N 1 1 346.435 0.620 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)nn1 ZINC001105312496 741729889 /nfs/dbraw/zinc/72/98/89/741729889.db2.gz OTWXBZBPBBJXOS-HNNXBMFYSA-N 1 1 344.463 0.506 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001026731485 741732087 /nfs/dbraw/zinc/73/20/87/741732087.db2.gz WDGCSONNUYBSSM-KBPBESRZSA-N 1 1 331.420 0.557 20 30 ECEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 ZINC000982157029 751664265 /nfs/dbraw/zinc/66/42/65/751664265.db2.gz BSMUNZGWSLWGNF-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105320544 741774331 /nfs/dbraw/zinc/77/43/31/741774331.db2.gz ABQGNJLTILICPH-MRXNPFEDSA-N 1 1 332.452 0.361 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974470838 741775817 /nfs/dbraw/zinc/77/58/17/741775817.db2.gz CSRDTRMSJBANJP-XHDPSFHLSA-N 1 1 343.431 0.994 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974470838 741775821 /nfs/dbraw/zinc/77/58/21/741775821.db2.gz CSRDTRMSJBANJP-XHDPSFHLSA-N 1 1 343.431 0.994 20 30 ECEDMO COCc1noc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001026760039 741777404 /nfs/dbraw/zinc/77/74/04/741777404.db2.gz RGBOKJLIHCLASH-NSHDSACASA-N 1 1 344.375 0.668 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]cc3F)C2)nn1 ZINC001105322450 741781225 /nfs/dbraw/zinc/78/12/25/741781225.db2.gz QFMVERZQRPFWSY-UHFFFAOYSA-N 1 1 349.370 0.130 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)Oc3cccnc3)C2)nn1 ZINC001105325337 741800269 /nfs/dbraw/zinc/80/02/69/741800269.db2.gz LQDAXGNALQGSMR-CYBMUJFWSA-N 1 1 342.403 0.800 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cccnc3C)C2)nn1 ZINC001105327026 741807767 /nfs/dbraw/zinc/80/77/67/741807767.db2.gz PCNYTPSAMFLIRC-UHFFFAOYSA-N 1 1 326.404 0.883 20 30 ECEDMO C=C(C)CNCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105327168 741812338 /nfs/dbraw/zinc/81/23/38/741812338.db2.gz UTBRZFWAGWGADF-CZUORRHYSA-N 1 1 332.452 0.525 20 30 ECEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974534902 741878822 /nfs/dbraw/zinc/87/88/22/741878822.db2.gz BWWYFTPNQYXGPO-GJZGRUSLSA-N 1 1 342.399 0.993 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3ncn(C)n3)C(C)(C)C2)C1=O ZINC000974561080 741892116 /nfs/dbraw/zinc/89/21/16/741892116.db2.gz NHYFXYSATDEFEI-OLZOCXBDSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3ncn(C)n3)C(C)(C)C2)C1=O ZINC000974561080 741892120 /nfs/dbraw/zinc/89/21/20/741892120.db2.gz NHYFXYSATDEFEI-OLZOCXBDSA-N 1 1 346.435 0.042 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3n[nH]cc3C)C(C)(C)C2)C1=O ZINC000974579615 741917345 /nfs/dbraw/zinc/91/73/45/741917345.db2.gz SOTWLGAYNGBKRK-ZIAGYGMSSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3n[nH]cc3C)C(C)(C)C2)C1=O ZINC000974579615 741917349 /nfs/dbraw/zinc/91/73/49/741917349.db2.gz SOTWLGAYNGBKRK-ZIAGYGMSSA-N 1 1 345.447 0.945 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C(C)(C)C1 ZINC000974586664 741923228 /nfs/dbraw/zinc/92/32/28/741923228.db2.gz WSIIFRWIRGWBIO-DZGCQCFKSA-N 1 1 343.431 0.613 20 30 ECEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974596735 741930441 /nfs/dbraw/zinc/93/04/41/741930441.db2.gz VYSIQAGRPXWABP-HNNXBMFYSA-N 1 1 339.403 0.572 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C4CC4)n[nH]3)C2)nn1 ZINC001105333911 741991561 /nfs/dbraw/zinc/99/15/61/741991561.db2.gz RHGBGAGEBKWASP-UHFFFAOYSA-N 1 1 327.392 0.851 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C(C)(C)C1 ZINC000974726520 742120100 /nfs/dbraw/zinc/12/01/00/742120100.db2.gz BSOCZKRNEGTNBF-ZFWWWQNUSA-N 1 1 330.432 0.918 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C(C)(C)C1 ZINC000974726520 742120101 /nfs/dbraw/zinc/12/01/01/742120101.db2.gz BSOCZKRNEGTNBF-ZFWWWQNUSA-N 1 1 330.432 0.918 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974741691 742140115 /nfs/dbraw/zinc/14/01/15/742140115.db2.gz JKHKFQDRKCFDQH-CHWSQXEVSA-N 1 1 333.436 0.949 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000974752094 742146973 /nfs/dbraw/zinc/14/69/73/742146973.db2.gz NUVYNOUYDOARPH-OAHLLOKOSA-N 1 1 336.480 0.553 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 ZINC000974878183 742281440 /nfs/dbraw/zinc/28/14/40/742281440.db2.gz LQOUTCVXGALTOD-UONOGXRCSA-N 1 1 331.420 0.768 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C(C)(C)C1 ZINC000974871253 742284936 /nfs/dbraw/zinc/28/49/36/742284936.db2.gz KHUOJTPJWAQXAA-IRXDYDNUSA-N 1 1 333.476 0.947 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C(C)(C)C1 ZINC000974888214 742307134 /nfs/dbraw/zinc/30/71/34/742307134.db2.gz DZLMTWVQPOZQHP-GFCCVEGCSA-N 1 1 344.423 0.710 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1ccn(C2CCCC2)n1 ZINC001125978571 742477159 /nfs/dbraw/zinc/47/71/59/742477159.db2.gz UCBXFYJDZVZCSD-UHFFFAOYSA-N 1 1 331.420 0.344 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H](C[NH2+][C@H](C)c3noc(C)n3)C2)nn1 ZINC001027110786 742597244 /nfs/dbraw/zinc/59/72/44/742597244.db2.gz RLNVDEZERJTQEB-DGCLKSJQSA-N 1 1 345.407 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000975308190 742708707 /nfs/dbraw/zinc/70/87/07/742708707.db2.gz LDQATRURCHOFIR-IKGGRYGDSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000975308190 742708713 /nfs/dbraw/zinc/70/87/13/742708713.db2.gz LDQATRURCHOFIR-IKGGRYGDSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000975361953 742753260 /nfs/dbraw/zinc/75/32/60/742753260.db2.gz PMJAVKKINYSERG-ROUUACIJSA-N 1 1 341.455 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000975361953 742753263 /nfs/dbraw/zinc/75/32/63/742753263.db2.gz PMJAVKKINYSERG-ROUUACIJSA-N 1 1 341.455 0.852 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000975365070 742756285 /nfs/dbraw/zinc/75/62/85/742756285.db2.gz IWLNBHZCYLCLKG-CHWSQXEVSA-N 1 1 347.419 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC000975359137 742776867 /nfs/dbraw/zinc/77/68/67/742776867.db2.gz DOIWWYCUXJNZGF-HIFRSBDPSA-N 1 1 345.403 0.136 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC000975359137 742776870 /nfs/dbraw/zinc/77/68/70/742776870.db2.gz DOIWWYCUXJNZGF-HIFRSBDPSA-N 1 1 345.403 0.136 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(C(C)=O)C[C@@H](C)O2 ZINC001006750242 751763652 /nfs/dbraw/zinc/76/36/52/751763652.db2.gz VDDUEDCHAWOTRC-WBVHZDCISA-N 1 1 347.459 0.712 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(C(C)=O)C[C@@H](C)O2 ZINC001006750242 751763655 /nfs/dbraw/zinc/76/36/55/751763655.db2.gz VDDUEDCHAWOTRC-WBVHZDCISA-N 1 1 347.459 0.712 20 30 ECEDMO N#Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)ccc1F ZINC001027160254 742831624 /nfs/dbraw/zinc/83/16/24/742831624.db2.gz AGZYONAHNFTWES-ZDUSSCGKSA-N 1 1 342.378 0.996 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001028937133 742922025 /nfs/dbraw/zinc/92/20/25/742922025.db2.gz MQRRGWYTMSJVAM-STQMWFEESA-N 1 1 330.388 0.019 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001028958750 742992528 /nfs/dbraw/zinc/99/25/28/742992528.db2.gz LZTIPYZEGVOUTQ-GFCCVEGCSA-N 1 1 325.372 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2F)[C@H]1C ZINC001020553458 751790723 /nfs/dbraw/zinc/79/07/23/751790723.db2.gz HONZLFOMUWLWRA-UBHSHLNASA-N 1 1 347.394 0.366 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2F)[C@H]1C ZINC001020553458 751790727 /nfs/dbraw/zinc/79/07/27/751790727.db2.gz HONZLFOMUWLWRA-UBHSHLNASA-N 1 1 347.394 0.366 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccnc(C)n3)C2)C1=O ZINC001028992732 743111588 /nfs/dbraw/zinc/11/15/88/743111588.db2.gz KALKAOJAHDYENA-HOCLYGCPSA-N 1 1 343.431 0.624 20 30 ECEDMO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)c1nc(-c2ccco2)no1 ZINC001125998154 743156774 /nfs/dbraw/zinc/15/67/74/743156774.db2.gz LDMNLQHDWSPECB-LLVKDONJSA-N 1 1 345.359 0.236 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001028231959 751802251 /nfs/dbraw/zinc/80/22/51/751802251.db2.gz ZKGWGXHSEGYPPP-HUUCEWRRSA-N 1 1 331.420 0.532 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3CCC)C2)c1 ZINC001020568358 751802362 /nfs/dbraw/zinc/80/23/62/751802362.db2.gz JVELQJCWUFJQAX-SHTZXODSSA-N 1 1 339.403 0.510 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC([NH2+]Cc3nnc(C)o3)CC2)nn1 ZINC000997086659 743213020 /nfs/dbraw/zinc/21/30/20/743213020.db2.gz UPSMPRZQEQNPPR-UHFFFAOYSA-N 1 1 345.407 0.940 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nc1 ZINC000997094048 743227691 /nfs/dbraw/zinc/22/76/91/743227691.db2.gz UXPLTTQGHUBUJT-CYBMUJFWSA-N 1 1 326.400 0.488 20 30 ECEDMO CN(C)c1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000983494768 743272957 /nfs/dbraw/zinc/27/29/57/743272957.db2.gz AZMQVSRGXPSUMX-UMSPYCQHSA-N 1 1 343.391 0.634 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087467933 743290835 /nfs/dbraw/zinc/29/08/35/743290835.db2.gz XYPDCDRWKMMEPD-WCXIOVBPSA-N 1 1 343.402 0.854 20 30 ECEDMO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087467933 743290841 /nfs/dbraw/zinc/29/08/41/743290841.db2.gz XYPDCDRWKMMEPD-WCXIOVBPSA-N 1 1 343.402 0.854 20 30 ECEDMO C=CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]C[C@H](C)OC)nn2)C1 ZINC001105381267 743451800 /nfs/dbraw/zinc/45/18/00/743451800.db2.gz VTHMGJKTXRVTFI-QWHCGFSZSA-N 1 1 337.424 0.377 20 30 ECEDMO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC000982278666 751851074 /nfs/dbraw/zinc/85/10/74/751851074.db2.gz NMMFWCMLSOAYAY-LZQZEXGQSA-N 1 1 329.444 0.849 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3cocn3)C2)C1=O ZINC001027331024 743767466 /nfs/dbraw/zinc/76/74/66/743767466.db2.gz YNTKSMZMOWNPRX-HIFRSBDPSA-N 1 1 332.404 0.998 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)nc1 ZINC000976270598 743768488 /nfs/dbraw/zinc/76/84/88/743768488.db2.gz SVJZTKUKSHUKIF-HDEZJCGLSA-N 1 1 338.411 0.344 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)CC2CCS(=O)(=O)CC2)C1 ZINC001027336352 743796708 /nfs/dbraw/zinc/79/67/08/743796708.db2.gz PHJAPBFVCYTLTD-ZFWWWQNUSA-N 1 1 341.477 0.894 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCO1 ZINC000997769543 743799703 /nfs/dbraw/zinc/79/97/03/743799703.db2.gz KYWXQHBHZVDEFY-XAJHFOFHSA-N 1 1 345.443 0.511 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCO1 ZINC000997769543 743799707 /nfs/dbraw/zinc/79/97/07/743799707.db2.gz KYWXQHBHZVDEFY-XAJHFOFHSA-N 1 1 345.443 0.511 20 30 ECEDMO CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC000997870700 743860458 /nfs/dbraw/zinc/86/04/58/743860458.db2.gz GWZNUIVDXBPMAD-DZGCQCFKSA-N 1 1 326.462 0.804 20 30 ECEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@@]2(C)C1 ZINC000982290427 751879431 /nfs/dbraw/zinc/87/94/31/751879431.db2.gz WLPBJGDFOBNIIF-ZYSHUDEJSA-N 1 1 349.475 0.838 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 ZINC000976498265 744025138 /nfs/dbraw/zinc/02/51/38/744025138.db2.gz AYMQQZSYFLBYBC-AALSBFMBSA-N 1 1 332.448 0.982 20 30 ECEDMO C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC000998179131 744033148 /nfs/dbraw/zinc/03/31/48/744033148.db2.gz SRIHAOLYYMEQNJ-STQMWFEESA-N 1 1 346.435 0.135 20 30 ECEDMO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001058771031 744084438 /nfs/dbraw/zinc/08/44/38/744084438.db2.gz ONNIRASPVNTJQG-CABCVRRESA-N 1 1 337.464 0.478 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000976604787 744129859 /nfs/dbraw/zinc/12/98/59/744129859.db2.gz IUCHFHOGVUXVAE-QXSJWSMHSA-N 1 1 347.459 0.636 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000976604787 744129862 /nfs/dbraw/zinc/12/98/62/744129862.db2.gz IUCHFHOGVUXVAE-QXSJWSMHSA-N 1 1 347.459 0.636 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3cnnn3C)C2)C1=O ZINC001027392482 744137723 /nfs/dbraw/zinc/13/77/23/744137723.db2.gz RNWFGIKXSFDCNY-KBPBESRZSA-N 1 1 346.435 0.138 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)CC(C)(C)O)C2)C1=O ZINC001027393342 744143963 /nfs/dbraw/zinc/14/39/63/744143963.db2.gz AHOJGQPOPZYJMA-HUUCEWRRSA-N 1 1 337.464 0.857 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[nH]c1 ZINC000976654729 744168941 /nfs/dbraw/zinc/16/89/41/744168941.db2.gz MGNMLFAIMOLEOU-XUWVNRHRSA-N 1 1 326.400 0.299 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[nH]c1 ZINC000976654729 744168944 /nfs/dbraw/zinc/16/89/44/744168944.db2.gz MGNMLFAIMOLEOU-XUWVNRHRSA-N 1 1 326.400 0.299 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C)co3)C[C@H]21 ZINC000976737362 744263099 /nfs/dbraw/zinc/26/30/99/744263099.db2.gz UMIZWYNLGSCQCD-QSJFSLAZSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C)co3)C[C@H]21 ZINC000976737362 744263103 /nfs/dbraw/zinc/26/31/03/744263103.db2.gz UMIZWYNLGSCQCD-QSJFSLAZSA-N 1 1 341.411 0.872 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000976743195 744278892 /nfs/dbraw/zinc/27/88/92/744278892.db2.gz WLEQQKISXBLADE-LQKXBSAESA-N 1 1 326.400 0.299 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000976743195 744278896 /nfs/dbraw/zinc/27/88/96/744278896.db2.gz WLEQQKISXBLADE-LQKXBSAESA-N 1 1 326.400 0.299 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCCO)C[C@]2(C)C1 ZINC000982298636 751909130 /nfs/dbraw/zinc/90/91/30/751909130.db2.gz JWUQEWPROBPFAO-YTQUADARSA-N 1 1 333.476 0.637 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CCC)on2)C1 ZINC000998912483 744400084 /nfs/dbraw/zinc/40/00/84/744400084.db2.gz DHHVQNGTCLEDGS-INIZCTEOSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(CCC)on2)C1 ZINC000998912483 744400085 /nfs/dbraw/zinc/40/00/85/744400085.db2.gz DHHVQNGTCLEDGS-INIZCTEOSA-N 1 1 344.415 0.665 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC001027446272 744484229 /nfs/dbraw/zinc/48/42/29/744484229.db2.gz DVDSGQMRFUEEPC-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC001027446272 744484232 /nfs/dbraw/zinc/48/42/32/744484232.db2.gz DVDSGQMRFUEEPC-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4cccnn43)C2)nn1 ZINC001105339667 744577142 /nfs/dbraw/zinc/57/71/42/744577142.db2.gz VVDHDOWFHCJARX-UHFFFAOYSA-N 1 1 337.387 0.899 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001027463045 744593167 /nfs/dbraw/zinc/59/31/67/744593167.db2.gz QIJBYZGXIJKQOC-UPJWGTAASA-N 1 1 334.338 0.889 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2conc2C2CC2)C1 ZINC000999364362 744655661 /nfs/dbraw/zinc/65/56/61/744655661.db2.gz PKCHSLDXYSJTMV-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2conc2C2CC2)C1 ZINC000999364362 744655664 /nfs/dbraw/zinc/65/56/64/744655664.db2.gz PKCHSLDXYSJTMV-HNNXBMFYSA-N 1 1 342.399 0.590 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001149137035 751939255 /nfs/dbraw/zinc/93/92/55/751939255.db2.gz MCWPOOBZYAVGQE-CVEARBPZSA-N 1 1 335.448 0.852 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001149137035 751939261 /nfs/dbraw/zinc/93/92/61/751939261.db2.gz MCWPOOBZYAVGQE-CVEARBPZSA-N 1 1 335.448 0.852 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@H]32)C1 ZINC000977159228 744727194 /nfs/dbraw/zinc/72/71/94/744727194.db2.gz XCAVGBZLBNYRDY-QLPKVWCKSA-N 1 1 347.459 0.638 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3ncc(C)cn3)C2)nn1 ZINC000999521910 744736791 /nfs/dbraw/zinc/73/67/91/744736791.db2.gz BPURTEXBTKNZTR-UHFFFAOYSA-N 1 1 341.419 0.955 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000977206966 744767745 /nfs/dbraw/zinc/76/77/45/744767745.db2.gz HKQCHGMKTSWAFV-BZRJDHSHSA-N 1 1 341.415 0.271 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)nn1 ZINC000977272490 744827552 /nfs/dbraw/zinc/82/75/52/744827552.db2.gz JOMYNUBSCOCSRB-ZIAGYGMSSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)nn1 ZINC000977272490 744827554 /nfs/dbraw/zinc/82/75/54/744827554.db2.gz JOMYNUBSCOCSRB-ZIAGYGMSSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3nc(C)c[nH]3)C(C)(C)C2)C1=O ZINC000977287254 744843215 /nfs/dbraw/zinc/84/32/15/744843215.db2.gz BQOLPBONPRPGDX-KGLIPLIRSA-N 1 1 345.447 0.945 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3nc(C)c[nH]3)C(C)(C)C2)C1=O ZINC000977287254 744843219 /nfs/dbraw/zinc/84/32/19/744843219.db2.gz BQOLPBONPRPGDX-KGLIPLIRSA-N 1 1 345.447 0.945 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000977310467 744853456 /nfs/dbraw/zinc/85/34/56/744853456.db2.gz PWEUAWKRXNRAJJ-VMBJYNEYSA-N 1 1 334.420 0.377 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)c1 ZINC001041985458 782549069 /nfs/dbraw/zinc/54/90/69/782549069.db2.gz MYLHYLBFEXKTEO-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)c1 ZINC001041985458 782549072 /nfs/dbraw/zinc/54/90/72/782549072.db2.gz MYLHYLBFEXKTEO-XJKSGUPXSA-N 1 1 344.390 0.996 20 30 ECEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001027508422 744864274 /nfs/dbraw/zinc/86/42/74/744864274.db2.gz ZXZCFSNWIWBOAA-KGLIPLIRSA-N 1 1 329.391 0.508 20 30 ECEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 ZINC000977320006 744864983 /nfs/dbraw/zinc/86/49/83/744864983.db2.gz UYJQWDSAQHGKDY-JKGQDXBKSA-N 1 1 334.420 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C)c2ccco2)C1 ZINC000999779631 744897631 /nfs/dbraw/zinc/89/76/31/744897631.db2.gz GRINNTXXNJUEAV-ZFWWWQNUSA-N 1 1 329.400 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C)c2ccco2)C1 ZINC000999779631 744897633 /nfs/dbraw/zinc/89/76/33/744897633.db2.gz GRINNTXXNJUEAV-ZFWWWQNUSA-N 1 1 329.400 0.808 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccnn3C)C2)C1=O ZINC001006901709 751958321 /nfs/dbraw/zinc/95/83/21/751958321.db2.gz XNHNTIIDKWBBAE-DZGCQCFKSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccnn3C)C2)C1=O ZINC001006901709 751958324 /nfs/dbraw/zinc/95/83/24/751958324.db2.gz XNHNTIIDKWBBAE-DZGCQCFKSA-N 1 1 331.420 0.401 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC000999867193 744965290 /nfs/dbraw/zinc/96/52/90/744965290.db2.gz AQDSRJYBVITFMY-CYBMUJFWSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)cn1 ZINC000999896632 745030164 /nfs/dbraw/zinc/03/01/64/745030164.db2.gz URBVUOGXWBNXEJ-UHFFFAOYSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(C)n1 ZINC000977469840 745058495 /nfs/dbraw/zinc/05/84/95/745058495.db2.gz XCXJVBUODZMRGD-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(C)n1 ZINC000977469840 745058497 /nfs/dbraw/zinc/05/84/97/745058497.db2.gz XCXJVBUODZMRGD-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 ZINC000999938377 745072106 /nfs/dbraw/zinc/07/21/06/745072106.db2.gz LMFRKGYHSBXMDU-HNNXBMFYSA-N 1 1 347.419 0.996 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncnc3C)nn2)C1 ZINC000999953201 745090382 /nfs/dbraw/zinc/09/03/82/745090382.db2.gz ABKMCPBPCHRSMW-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 ZINC000999955329 745094825 /nfs/dbraw/zinc/09/48/25/745094825.db2.gz IVQVGAZWWLFHJM-CABCVRRESA-N 1 1 335.408 0.133 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]c(C)c3C)nn2)C1 ZINC000999961167 745103603 /nfs/dbraw/zinc/10/36/03/745103603.db2.gz HZEFTTJKLDJTCG-CQSZACIVSA-N 1 1 329.408 0.981 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(CC)c3)nn2)C1 ZINC000999961205 745103755 /nfs/dbraw/zinc/10/37/55/745103755.db2.gz IJCDSDRKEPIWKN-OAHLLOKOSA-N 1 1 329.408 0.857 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC000999962802 745106034 /nfs/dbraw/zinc/10/60/34/745106034.db2.gz PWDYJSWIIIRSFJ-CYBMUJFWSA-N 1 1 347.810 0.997 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC000999962802 745106039 /nfs/dbraw/zinc/10/60/39/745106039.db2.gz PWDYJSWIIIRSFJ-CYBMUJFWSA-N 1 1 347.810 0.997 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(CC)c3)nn2)C1 ZINC000999964268 745108547 /nfs/dbraw/zinc/10/85/47/745108547.db2.gz XPPKCJGCMAVHRQ-MRXNPFEDSA-N 1 1 341.419 0.695 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 ZINC000999964818 745109298 /nfs/dbraw/zinc/10/92/98/745109298.db2.gz FXIUUTWYEHBUIC-CQSZACIVSA-N 1 1 349.826 0.941 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 ZINC000999964818 745109304 /nfs/dbraw/zinc/10/93/04/745109304.db2.gz FXIUUTWYEHBUIC-CQSZACIVSA-N 1 1 349.826 0.941 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(C(=O)CSCC#N)C2)C1 ZINC001059198275 745116179 /nfs/dbraw/zinc/11/61/79/745116179.db2.gz PIXVYVXICFFJDC-KBPBESRZSA-N 1 1 338.477 0.550 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc[nH]c(=O)c3)nn2)C1 ZINC000999970758 745118654 /nfs/dbraw/zinc/11/86/54/745118654.db2.gz JINSOJHHXLZARM-OAHLLOKOSA-N 1 1 340.387 0.579 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccnc(F)c3)nn2)C1 ZINC000999972088 745120075 /nfs/dbraw/zinc/12/00/75/745120075.db2.gz RYPJHJSMXZZFGI-CQSZACIVSA-N 1 1 328.351 0.622 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC000999971806 745120082 /nfs/dbraw/zinc/12/00/82/745120082.db2.gz QFPCFFJMXBYUTI-ZDUSSCGKSA-N 1 1 349.826 0.941 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC000999971806 745120084 /nfs/dbraw/zinc/12/00/84/745120084.db2.gz QFPCFFJMXBYUTI-ZDUSSCGKSA-N 1 1 349.826 0.941 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCCO3)nn2)C1 ZINC000999973666 745122825 /nfs/dbraw/zinc/12/28/25/745122825.db2.gz HFJMYWBJSDLNJI-HOTGVXAUSA-N 1 1 331.420 0.734 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCCO3)nn2)C1 ZINC000999976835 745125747 /nfs/dbraw/zinc/12/57/47/745125747.db2.gz XBHQOBGCVTZPHG-CVEARBPZSA-N 1 1 331.420 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)C3CN(C(C)=O)C3)nn2)C1 ZINC000999978168 745127411 /nfs/dbraw/zinc/12/74/11/745127411.db2.gz FYAPYXHRWYUKAD-MRXNPFEDSA-N 1 1 346.435 0.196 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncccc3O)nn2)C1 ZINC000999978880 745128352 /nfs/dbraw/zinc/12/83/52/745128352.db2.gz HNNKGPINNVYMJH-CYBMUJFWSA-N 1 1 328.376 0.742 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@H+]([C@H]3CCCNC3=O)CC2(C)C)nc1 ZINC000977514183 745134619 /nfs/dbraw/zinc/13/46/19/745134619.db2.gz OLVPGDXCQPABKU-HOTGVXAUSA-N 1 1 340.427 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCCNC3=O)CC2(C)C)nc1 ZINC000977514183 745134625 /nfs/dbraw/zinc/13/46/25/745134625.db2.gz OLVPGDXCQPABKU-HOTGVXAUSA-N 1 1 340.427 0.782 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nccc(C)n3)nn2)C1 ZINC000999985171 745137757 /nfs/dbraw/zinc/13/77/57/745137757.db2.gz ONXZBVLDLZFAOS-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(=O)n(C)o3)nn2)C1 ZINC000999985984 745139237 /nfs/dbraw/zinc/13/92/37/745139237.db2.gz RYKXQHCFXRMBDD-ZDUSSCGKSA-N 1 1 346.391 0.323 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000977534273 745156626 /nfs/dbraw/zinc/15/66/26/745156626.db2.gz LDSWXQMSQCHHRP-CZUORRHYSA-N 1 1 327.428 0.911 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000977534273 745156629 /nfs/dbraw/zinc/15/66/29/745156629.db2.gz LDSWXQMSQCHHRP-CZUORRHYSA-N 1 1 327.428 0.911 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC(=O)NC3)nn2)C1 ZINC001000003505 745168277 /nfs/dbraw/zinc/16/82/77/745168277.db2.gz QDUKBPUVNMUUIW-UKRRQHHQSA-N 1 1 346.435 0.243 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088569889 751978582 /nfs/dbraw/zinc/97/85/82/751978582.db2.gz PSMTUFXGEUQISF-DOMZBBRYSA-N 1 1 325.376 0.324 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(C)c(=O)[nH]3)nn2)C1 ZINC001000021628 745191988 /nfs/dbraw/zinc/19/19/88/745191988.db2.gz RCOKSKUIQWLDSL-LBPRGKRZSA-N 1 1 331.380 0.080 20 30 ECEDMO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)C3=NC(=O)N(C)C3)nn2)C1 ZINC001000021628 745191991 /nfs/dbraw/zinc/19/19/91/745191991.db2.gz RCOKSKUIQWLDSL-LBPRGKRZSA-N 1 1 331.380 0.080 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3=NC(=O)N(C)C3)nn2)C1 ZINC001000021628 745191995 /nfs/dbraw/zinc/19/19/95/745191995.db2.gz RCOKSKUIQWLDSL-LBPRGKRZSA-N 1 1 331.380 0.080 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001075770637 745194054 /nfs/dbraw/zinc/19/40/54/745194054.db2.gz DIZKODNNJSPTLZ-DLBZAZTESA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)C1 ZINC001000027677 745200556 /nfs/dbraw/zinc/20/05/56/745200556.db2.gz ANXVVKGDLPWOFP-FPCVCCKLSA-N 1 1 329.404 0.342 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001000028408 745201788 /nfs/dbraw/zinc/20/17/88/745201788.db2.gz IXDOXWHZPJECLG-CQSZACIVSA-N 1 1 327.392 0.821 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn(CC)nn3)nn2)C1 ZINC001000032683 745207185 /nfs/dbraw/zinc/20/71/85/745207185.db2.gz DTVCUECSZFYBCV-AWEZNQCLSA-N 1 1 342.407 0.090 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCO[C@H]3C=C)nn2)C1 ZINC001000034576 745210217 /nfs/dbraw/zinc/21/02/17/745210217.db2.gz WWIPHSDZSXLZLX-BBWFWOEESA-N 1 1 343.431 0.756 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001000038466 745217111 /nfs/dbraw/zinc/21/71/11/745217111.db2.gz WGRRVGFXYCNALB-CQSZACIVSA-N 1 1 325.376 0.268 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccnc(C)n3)nn2)C1 ZINC001000042251 745222414 /nfs/dbraw/zinc/22/24/14/745222414.db2.gz LASXDVAKOIGSJW-HNNXBMFYSA-N 1 1 339.403 0.577 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cncnc3CC)nn2)C1 ZINC001000042793 745223169 /nfs/dbraw/zinc/22/31/69/745223169.db2.gz HRAIBYLQIULCBG-AWEZNQCLSA-N 1 1 339.403 0.441 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 ZINC000977580648 745237876 /nfs/dbraw/zinc/23/78/76/745237876.db2.gz BQMJYKWHLVIMCM-LBPRGKRZSA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CN(C(=O)COCc3nnc(C)s3)C[C@]2(C)C1 ZINC001101292154 745241383 /nfs/dbraw/zinc/24/13/83/745241383.db2.gz NRMYXMPXXVYERJ-CJNGLKHVSA-N 1 1 334.445 0.777 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001006949098 751998345 /nfs/dbraw/zinc/99/83/45/751998345.db2.gz IACDGEXVRNOGOM-GDBMZVCRSA-N 1 1 346.431 0.893 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001006949098 751998358 /nfs/dbraw/zinc/99/83/58/751998358.db2.gz IACDGEXVRNOGOM-GDBMZVCRSA-N 1 1 346.431 0.893 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027552558 745406605 /nfs/dbraw/zinc/40/66/05/745406605.db2.gz XRLSABRNASYZDS-HOTGVXAUSA-N 1 1 341.415 0.662 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027552558 745406609 /nfs/dbraw/zinc/40/66/09/745406609.db2.gz XRLSABRNASYZDS-HOTGVXAUSA-N 1 1 341.415 0.662 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ncc(C)cn3)C2)nn1 ZINC001000406975 745479736 /nfs/dbraw/zinc/47/97/36/745479736.db2.gz ZAMYIWQLIHTHIC-AWEZNQCLSA-N 1 1 341.419 0.957 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCO3)[C@@H]2C1 ZINC000977842803 745552786 /nfs/dbraw/zinc/55/27/86/745552786.db2.gz VZBNPKKZLNYMCB-ZJPYXAASSA-N 1 1 341.411 0.768 20 30 ECEDMO CN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC001000564854 745600387 /nfs/dbraw/zinc/60/03/87/745600387.db2.gz VRPBGYGWLAEPRV-OAHLLOKOSA-N 1 1 327.388 0.479 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)c3cn(C)cn3)CC2)C1=O ZINC001000574201 745609362 /nfs/dbraw/zinc/60/93/62/745609362.db2.gz ULWLDAMUVYJFFI-INIZCTEOSA-N 1 1 343.431 0.569 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@H+](CC(=O)N3CCCC3)CC2)c[nH]1 ZINC001000586550 745619896 /nfs/dbraw/zinc/61/98/96/745619896.db2.gz BJTUTBQQVXETHO-UHFFFAOYSA-N 1 1 341.415 0.871 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@@H+](CC(=O)N3CCCC3)CC2)c[nH]1 ZINC001000586550 745619901 /nfs/dbraw/zinc/61/99/01/745619901.db2.gz BJTUTBQQVXETHO-UHFFFAOYSA-N 1 1 341.415 0.871 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)C1=O ZINC001000599616 745625492 /nfs/dbraw/zinc/62/54/92/745625492.db2.gz FJBPYWSVTAGOBE-INIZCTEOSA-N 1 1 341.415 0.869 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cnco1 ZINC000977920365 745649116 /nfs/dbraw/zinc/64/91/16/745649116.db2.gz OUEOXWJKRSBFTP-KGLIPLIRSA-N 1 1 330.388 0.445 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cnco1 ZINC000977920365 745649119 /nfs/dbraw/zinc/64/91/19/745649119.db2.gz OUEOXWJKRSBFTP-KGLIPLIRSA-N 1 1 330.388 0.445 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001029312039 745680299 /nfs/dbraw/zinc/68/02/99/745680299.db2.gz NUVGADCZRXBOKW-JJTUDDRGSA-N 1 1 347.459 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CC(C)(C)O ZINC000977929249 745684846 /nfs/dbraw/zinc/68/48/46/745684846.db2.gz PQVVPBWWKQLEJX-GJZGRUSLSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CC(C)(C)O ZINC000977929249 745684849 /nfs/dbraw/zinc/68/48/49/745684849.db2.gz PQVVPBWWKQLEJX-GJZGRUSLSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000982349203 752025024 /nfs/dbraw/zinc/02/50/24/752025024.db2.gz SSLKSBNWCKWQOV-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000982349203 752025030 /nfs/dbraw/zinc/02/50/30/752025030.db2.gz SSLKSBNWCKWQOV-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO CCn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)nn1 ZINC000978040706 745817612 /nfs/dbraw/zinc/81/76/12/745817612.db2.gz QNCTVRRADOHDCD-QKDCVEJESA-N 1 1 339.403 0.606 20 30 ECEDMO CCn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)nn1 ZINC000978040706 745817618 /nfs/dbraw/zinc/81/76/18/745817618.db2.gz QNCTVRRADOHDCD-QKDCVEJESA-N 1 1 339.403 0.606 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](NCc3ccn(C)n3)C2)CC1 ZINC001000995764 745960920 /nfs/dbraw/zinc/96/09/20/745960920.db2.gz ZNLLZMJVDPVDPL-SFHVURJKSA-N 1 1 343.475 0.846 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(C4CCOCC4)n3)[C@@H]2C1 ZINC000978145045 745963285 /nfs/dbraw/zinc/96/32/85/745963285.db2.gz ODNONGJNOYMHEH-PHZGNYQRSA-N 1 1 328.416 0.775 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC000978127659 745967704 /nfs/dbraw/zinc/96/77/04/745967704.db2.gz GMWOPSVLYHWZCU-MIGQKNRLSA-N 1 1 341.415 0.080 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)no1 ZINC001059342406 746044141 /nfs/dbraw/zinc/04/41/41/746044141.db2.gz QWTWPLYNUUTOQX-HAQNSBGRSA-N 1 1 341.375 0.771 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](C[C@H](O)Cn3cccn3)C2)c1 ZINC001007036058 752056949 /nfs/dbraw/zinc/05/69/49/752056949.db2.gz LKVIHPHEGGMNJW-GJZGRUSLSA-N 1 1 342.403 0.338 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCS3(=O)=O)[C@@H]2C1 ZINC000978246411 746077250 /nfs/dbraw/zinc/07/72/50/746077250.db2.gz GNPKDNIIJBXVNW-XQLPTFJDSA-N 1 1 326.462 0.824 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@H]3CNC(=O)N3)CC2)cc1 ZINC001001115664 746088829 /nfs/dbraw/zinc/08/88/29/746088829.db2.gz XFXLFMJTGQUBQL-MRXNPFEDSA-N 1 1 339.399 0.488 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000984229198 746090052 /nfs/dbraw/zinc/09/00/52/746090052.db2.gz XEFQLZPHGYLAPH-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1 ZINC000978238860 746094086 /nfs/dbraw/zinc/09/40/86/746094086.db2.gz DQSVSFAZQVMBFY-OSYLJGHBSA-N 1 1 341.411 0.482 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001027601283 746102055 /nfs/dbraw/zinc/10/20/55/746102055.db2.gz XDYBHXDWDLTRMX-AWEZNQCLSA-N 1 1 344.419 0.390 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)[C@H]1CC ZINC001087591807 746103143 /nfs/dbraw/zinc/10/31/43/746103143.db2.gz QTSVCPHXSAFFBO-HRCADAONSA-N 1 1 335.448 0.474 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncccc3NC(C)=O)[C@@H]2C1 ZINC000978260843 746105607 /nfs/dbraw/zinc/10/56/07/746105607.db2.gz VJCQPGMWHSJVDD-QKDCVEJESA-N 1 1 326.400 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3csnn3)C[C@H]21 ZINC000978283437 746146377 /nfs/dbraw/zinc/14/63/77/746146377.db2.gz QNQPDBCWUYIHRK-JONQDZQNSA-N 1 1 345.472 0.430 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3csnn3)C[C@H]21 ZINC000978283437 746146379 /nfs/dbraw/zinc/14/63/79/746146379.db2.gz QNQPDBCWUYIHRK-JONQDZQNSA-N 1 1 345.472 0.430 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001001223372 746179953 /nfs/dbraw/zinc/17/99/53/746179953.db2.gz TXTXERSZAKGBSZ-SFHVURJKSA-N 1 1 339.439 0.879 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2nnn(C)c2C(F)(F)F)CC1 ZINC001001240818 746199746 /nfs/dbraw/zinc/19/97/46/746199746.db2.gz FVHITULSXYSWCS-UHFFFAOYSA-N 1 1 327.310 0.829 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001001257103 746216158 /nfs/dbraw/zinc/21/61/58/746216158.db2.gz QGBQQADFSWEUIS-XHSDSOJGSA-N 1 1 333.432 0.604 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001001257103 746216159 /nfs/dbraw/zinc/21/61/59/746216159.db2.gz QGBQQADFSWEUIS-XHSDSOJGSA-N 1 1 333.432 0.604 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnccc2C)C1 ZINC001001288214 746248435 /nfs/dbraw/zinc/24/84/35/746248435.db2.gz UUFDZLNZNINCMZ-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnccc2C)C1 ZINC001001288214 746248439 /nfs/dbraw/zinc/24/84/39/746248439.db2.gz UUFDZLNZNINCMZ-KRWDZBQOSA-N 1 1 340.427 0.676 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1CC ZINC001087758845 746288771 /nfs/dbraw/zinc/28/87/71/746288771.db2.gz OTDISVLCHBZFMR-RYTBJUFESA-N 1 1 348.447 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nnc[nH]3)[C@H]2CC)C1=O ZINC001087767502 746306114 /nfs/dbraw/zinc/30/61/14/746306114.db2.gz FUJUFBFHSQDCQN-YNEHKIRRSA-N 1 1 332.408 0.174 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1=CC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001001379056 746324574 /nfs/dbraw/zinc/32/45/74/746324574.db2.gz PFIDGFPTRNMHTK-CYBMUJFWSA-N 1 1 342.399 0.329 20 30 ECEDMO C#CCOc1ncccc1C(=O)NCC1=CC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001001379056 746324579 /nfs/dbraw/zinc/32/45/79/746324579.db2.gz PFIDGFPTRNMHTK-CYBMUJFWSA-N 1 1 342.399 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@@H]3CCN(C)C3=O)CC2)nc1 ZINC001001383325 746329420 /nfs/dbraw/zinc/32/94/20/746329420.db2.gz IPSNDMNPBWVIGJ-QGZVFWFLSA-N 1 1 338.411 0.656 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+]([C@H]3CCCNC3=O)CC2)cn1 ZINC001001382947 746329786 /nfs/dbraw/zinc/32/97/86/746329786.db2.gz FKVRYPBMIWAYNK-KRWDZBQOSA-N 1 1 338.411 0.703 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1 ZINC000978444676 746332023 /nfs/dbraw/zinc/33/20/23/746332023.db2.gz SYCUJFOLBZWXKM-ZSOGYDGISA-N 1 1 342.399 0.896 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H]1CC ZINC001087795587 746360255 /nfs/dbraw/zinc/36/02/55/746360255.db2.gz MOXNNJSRXNJKAR-WDEREUQCSA-N 1 1 334.376 0.502 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2CC)nc1 ZINC001087800390 746360915 /nfs/dbraw/zinc/36/09/15/746360915.db2.gz PKVUYTPMOCUUFH-DOTOQJQBSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2CC)nc1 ZINC001087800390 746360919 /nfs/dbraw/zinc/36/09/19/746360919.db2.gz PKVUYTPMOCUUFH-DOTOQJQBSA-N 1 1 340.427 0.924 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4c(c3)nnn4C)[C@@H]2C1 ZINC000978498709 746374661 /nfs/dbraw/zinc/37/46/61/746374661.db2.gz RKOKLSYFICNLAA-ZSOGYDGISA-N 1 1 326.404 0.847 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cncn3)[C@H]2CC)C1=O ZINC001087821075 746411425 /nfs/dbraw/zinc/41/14/25/746411425.db2.gz OGHABSGGBCECHN-RRFJBIMHSA-N 1 1 346.435 0.034 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001001483203 746421984 /nfs/dbraw/zinc/42/19/84/746421984.db2.gz SWLOUGRASBGPNA-GFCCVEGCSA-N 1 1 329.404 0.416 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2nncn2C)CC1 ZINC001001493409 746430920 /nfs/dbraw/zinc/43/09/20/746430920.db2.gz LEJBRCFJUFSPGI-INIZCTEOSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2nncn2C)CC1 ZINC001001493409 746430922 /nfs/dbraw/zinc/43/09/22/746430922.db2.gz LEJBRCFJUFSPGI-INIZCTEOSA-N 1 1 344.463 0.241 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001001493368 746431397 /nfs/dbraw/zinc/43/13/97/746431397.db2.gz YWERNUNEPPMJCY-SFHVURJKSA-N 1 1 343.475 0.846 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001509578 746447758 /nfs/dbraw/zinc/44/77/58/746447758.db2.gz QSFYHBISESWJDD-XHDPSFHLSA-N 1 1 329.404 0.272 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001027639404 746449908 /nfs/dbraw/zinc/44/99/08/746449908.db2.gz WLGLXYWJWFRQIR-ZDUSSCGKSA-N 1 1 336.436 0.816 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnco4)[C@@H]3C2)C1=O ZINC000978574798 746452824 /nfs/dbraw/zinc/45/28/24/746452824.db2.gz WXWVFVDFWZYWRX-YIYPIFLZSA-N 1 1 330.388 0.369 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC(=O)NC2)c1 ZINC001038449790 746520077 /nfs/dbraw/zinc/52/00/77/746520077.db2.gz MLNZQXOQCLQMHF-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC(=O)NC2)c1 ZINC001038449790 746520079 /nfs/dbraw/zinc/52/00/79/746520079.db2.gz MLNZQXOQCLQMHF-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978651748 746525199 /nfs/dbraw/zinc/52/51/99/746525199.db2.gz RRSJLHCZGAHESZ-LNSITVRQSA-N 1 1 329.404 0.605 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)sn2)C1 ZINC001001613192 746540618 /nfs/dbraw/zinc/54/06/18/746540618.db2.gz FPCFCCGHNBPJBO-HNNXBMFYSA-N 1 1 346.456 0.737 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc(C)sn2)C1 ZINC001001613192 746540619 /nfs/dbraw/zinc/54/06/19/746540619.db2.gz FPCFCCGHNBPJBO-HNNXBMFYSA-N 1 1 346.456 0.737 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000978669215 746542931 /nfs/dbraw/zinc/54/29/31/746542931.db2.gz SCPLEEIMQYBDOI-UXLLHSPISA-N 1 1 340.427 0.782 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001007117568 752103560 /nfs/dbraw/zinc/10/35/60/752103560.db2.gz ROHWNUHVCLJTFO-DLBZAZTESA-N 1 1 342.443 0.992 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3cccnc3)C2)C1=O ZINC001007117568 752103566 /nfs/dbraw/zinc/10/35/66/752103566.db2.gz ROHWNUHVCLJTFO-DLBZAZTESA-N 1 1 342.443 0.992 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)c1 ZINC000978679483 746576856 /nfs/dbraw/zinc/57/68/56/746576856.db2.gz BHXBATJMJMINLI-NXOAAHMSSA-N 1 1 338.411 0.249 20 30 ECEDMO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1OC ZINC001211956524 752110450 /nfs/dbraw/zinc/11/04/50/752110450.db2.gz CNNAZMODLZCBEQ-IAOVAPTHSA-N 1 1 347.415 0.939 20 30 ECEDMO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1OC ZINC001211956524 752110452 /nfs/dbraw/zinc/11/04/52/752110452.db2.gz CNNAZMODLZCBEQ-IAOVAPTHSA-N 1 1 347.415 0.939 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC000978733320 746646734 /nfs/dbraw/zinc/64/67/34/746646734.db2.gz RNVPSPZUBTVYBW-MTSZKFMLSA-N 1 1 330.432 0.768 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c4n(c(=O)n3C)CCCC4)[C@@H]2C1 ZINC000978735975 746650773 /nfs/dbraw/zinc/65/07/73/746650773.db2.gz MLKDVYSFLNFMML-QKDCVEJESA-N 1 1 342.443 0.454 20 30 ECEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001027663932 746650795 /nfs/dbraw/zinc/65/07/95/746650795.db2.gz MGMDSYAPQBKHNG-GOEBONIOSA-N 1 1 343.493 0.957 20 30 ECEDMO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)[nH]1 ZINC001087938602 746688577 /nfs/dbraw/zinc/68/85/77/746688577.db2.gz BRWDVWGWRGAQCA-KGLIPLIRSA-N 1 1 339.403 0.572 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)nn1 ZINC000978822301 746750607 /nfs/dbraw/zinc/75/06/07/746750607.db2.gz XCLDMEMHLPCURD-YHUYYLMFSA-N 1 1 345.447 0.798 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CCOC)c3C)C[C@@H]2C1 ZINC001087965369 746757299 /nfs/dbraw/zinc/75/72/99/746757299.db2.gz BZMWLLAMFIOYIA-CVEARBPZSA-N 1 1 330.432 0.865 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)nn1 ZINC000978814039 746761033 /nfs/dbraw/zinc/76/10/33/746761033.db2.gz IOWUUTNEFCUXGP-GUIRCDHDSA-N 1 1 346.435 0.026 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001001888183 746787790 /nfs/dbraw/zinc/78/77/90/746787790.db2.gz LCIUGPODHAPZLD-MRXNPFEDSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027692398 746849499 /nfs/dbraw/zinc/84/94/99/746849499.db2.gz IBBLNDUHQXVAIL-LLVKDONJSA-N 1 1 340.815 0.052 20 30 ECEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027692398 746849500 /nfs/dbraw/zinc/84/95/00/746849500.db2.gz IBBLNDUHQXVAIL-LLVKDONJSA-N 1 1 340.815 0.052 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](N(C)[C@@H](CC)C(N)=O)C2)CC1 ZINC001027693525 746857468 /nfs/dbraw/zinc/85/74/68/746857468.db2.gz DMLWERWUTGPKRC-SJORKVTESA-N 1 1 348.491 0.518 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007151891 752131142 /nfs/dbraw/zinc/13/11/42/752131142.db2.gz LIPBSUUYKOLSOT-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001007151891 752131147 /nfs/dbraw/zinc/13/11/47/752131147.db2.gz LIPBSUUYKOLSOT-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C#CC1CC1 ZINC000984733729 746890040 /nfs/dbraw/zinc/89/00/40/746890040.db2.gz QKAMIHGQILLOEB-XHSDSOJGSA-N 1 1 333.432 0.226 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C#CC1CC1 ZINC000984733729 746890048 /nfs/dbraw/zinc/89/00/48/746890048.db2.gz QKAMIHGQILLOEB-XHSDSOJGSA-N 1 1 333.432 0.226 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000984781669 746928898 /nfs/dbraw/zinc/92/88/98/746928898.db2.gz DYDIRWYZXCTSNT-IVMMDQJWSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cccnc2)C1 ZINC000978954708 746950965 /nfs/dbraw/zinc/95/09/65/746950965.db2.gz WPLVYEJFKVBYLD-UAGQMJEPSA-N 1 1 340.427 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cccnc2)C1 ZINC000978954708 746950967 /nfs/dbraw/zinc/95/09/67/746950967.db2.gz WPLVYEJFKVBYLD-UAGQMJEPSA-N 1 1 340.427 0.804 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 ZINC000978961026 746958929 /nfs/dbraw/zinc/95/89/29/746958929.db2.gz BQUCDWBQUAWRAV-ZQDZILKHSA-N 1 1 331.420 0.723 20 30 ECEDMO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001059446545 746983836 /nfs/dbraw/zinc/98/38/36/746983836.db2.gz ZDIAITZQHCZIGO-QAETUUGQSA-N 1 1 341.415 0.876 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001002131865 747011419 /nfs/dbraw/zinc/01/14/19/747011419.db2.gz HIHXUJAZBIIKFK-GFCCVEGCSA-N 1 1 335.857 0.259 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)c2cn(C)c(=O)n2C)CC1 ZINC001002153871 747034143 /nfs/dbraw/zinc/03/41/43/747034143.db2.gz SQYYISPAGHUUQY-UHFFFAOYSA-N 1 1 326.828 0.918 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001002232372 747108706 /nfs/dbraw/zinc/10/87/06/747108706.db2.gz CRVVNSKAKQPFMY-UAGQMJEPSA-N 1 1 349.475 0.884 20 30 ECEDMO C=CCC1(C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)CCC1 ZINC001098716211 747200294 /nfs/dbraw/zinc/20/02/94/747200294.db2.gz UPXLWLVGEFNGHB-HNNXBMFYSA-N 1 1 333.436 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCOC2)[C@@H]1CC ZINC000985048542 747301852 /nfs/dbraw/zinc/30/18/52/747301852.db2.gz JJOBENNNMJPCID-NXOAAHMSSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCOC2)[C@@H]1CC ZINC000985048542 747301857 /nfs/dbraw/zinc/30/18/57/747301857.db2.gz JJOBENNNMJPCID-NXOAAHMSSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)CC(C)(C)O ZINC001002444674 747352454 /nfs/dbraw/zinc/35/24/54/747352454.db2.gz PPCPEOXCCFWXOS-CVEARBPZSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)CC(C)(C)O ZINC001002444674 747352457 /nfs/dbraw/zinc/35/24/57/747352457.db2.gz PPCPEOXCCFWXOS-CVEARBPZSA-N 1 1 349.475 0.694 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001002451356 747361895 /nfs/dbraw/zinc/36/18/95/747361895.db2.gz PLPQFOWRNUAJBT-INIZCTEOSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001002495682 747433871 /nfs/dbraw/zinc/43/38/71/747433871.db2.gz HCJGBIQVMIMTTG-XJKSGUPXSA-N 1 1 348.447 0.364 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ncc(C#N)cc2F)C1 ZINC001105410102 747439408 /nfs/dbraw/zinc/43/94/08/747439408.db2.gz QSAMONIFDDIGJQ-HNNXBMFYSA-N 1 1 349.410 0.708 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)c2ncc(C#N)cc2F)C1 ZINC001105410102 747439412 /nfs/dbraw/zinc/43/94/12/747439412.db2.gz QSAMONIFDDIGJQ-HNNXBMFYSA-N 1 1 349.410 0.708 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](CC)C(N)=O)CC[C@@H]3C2)nn1 ZINC001088133576 747461246 /nfs/dbraw/zinc/46/12/46/747461246.db2.gz PRMAUWXGMYEGKA-VNHYZAJKSA-N 1 1 346.435 0.122 20 30 ECEDMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979267161 747469517 /nfs/dbraw/zinc/46/95/17/747469517.db2.gz JFZXCWPUWTZWHY-IAQYHMDHSA-N 1 1 343.391 0.034 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4n[nH]c(=O)n4c3)C[C@@H]2C1 ZINC001088138516 747477493 /nfs/dbraw/zinc/47/74/93/747477493.db2.gz ONLAGYRAGVHEDS-HIFRSBDPSA-N 1 1 339.399 0.852 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCN(C)C2=O)cn1 ZINC001029558545 747498907 /nfs/dbraw/zinc/49/89/07/747498907.db2.gz LPDZOLSREDHWQO-IXDOHACOSA-N 1 1 338.411 0.582 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001088162884 747558553 /nfs/dbraw/zinc/55/85/53/747558553.db2.gz PLDUEDRBGYBDRV-KGLIPLIRSA-N 1 1 334.420 0.285 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001002613780 747573665 /nfs/dbraw/zinc/57/36/65/747573665.db2.gz RPGXUHVTZLWPEB-MRXNPFEDSA-N 1 1 330.432 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc[nH]n1 ZINC001002636971 747600341 /nfs/dbraw/zinc/60/03/41/747600341.db2.gz DRPZRWNTAZPWPN-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc[nH]n1 ZINC001002636971 747600347 /nfs/dbraw/zinc/60/03/47/747600347.db2.gz DRPZRWNTAZPWPN-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccn[nH]1 ZINC001002636971 747600352 /nfs/dbraw/zinc/60/03/52/747600352.db2.gz DRPZRWNTAZPWPN-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccn[nH]1 ZINC001002636971 747600356 /nfs/dbraw/zinc/60/03/56/747600356.db2.gz DRPZRWNTAZPWPN-ZBFHGGJFSA-N 1 1 343.431 0.570 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985254998 747601324 /nfs/dbraw/zinc/60/13/24/747601324.db2.gz YHUAWBZHKBGLLY-UHFFFAOYSA-N 1 1 339.403 0.668 20 30 ECEDMO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979328514 747621369 /nfs/dbraw/zinc/62/13/69/747621369.db2.gz HOYHSZUNOMNQNZ-WFASDCNBSA-N 1 1 343.431 0.801 20 30 ECEDMO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979328510 747621587 /nfs/dbraw/zinc/62/15/87/747621587.db2.gz HOYHSZUNOMNQNZ-IUODEOHRSA-N 1 1 343.431 0.801 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]2C1 ZINC001088183589 747694067 /nfs/dbraw/zinc/69/40/67/747694067.db2.gz NEOBJSKTDWXRRY-QGTPRVQTSA-N 1 1 339.439 0.865 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@@H]2C1 ZINC001088187297 747704405 /nfs/dbraw/zinc/70/44/05/747704405.db2.gz PLRCJCTYIQEXFO-IKGGRYGDSA-N 1 1 335.448 0.590 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 ZINC001088194043 747708021 /nfs/dbraw/zinc/70/80/21/747708021.db2.gz IVMNRGOPVXZDAD-CABCVRRESA-N 1 1 348.447 0.627 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1cnco1 ZINC001002730669 747709903 /nfs/dbraw/zinc/70/99/03/747709903.db2.gz SCLAMXZBSBNLRU-CABCVRRESA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1cnco1 ZINC001002730669 747709908 /nfs/dbraw/zinc/70/99/08/747709908.db2.gz SCLAMXZBSBNLRU-CABCVRRESA-N 1 1 344.415 0.835 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000985339519 747747750 /nfs/dbraw/zinc/74/77/50/747747750.db2.gz WCFIJJPJHKHHKS-OLZOCXBDSA-N 1 1 327.450 0.504 20 30 ECEDMO COCC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH]nn2)C12CCC2 ZINC001203419346 747772679 /nfs/dbraw/zinc/77/26/79/747772679.db2.gz LPXKYVUMOZHXTJ-HUUCEWRRSA-N 1 1 331.420 0.404 20 30 ECEDMO COCC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2cnn[nH]2)C12CCC2 ZINC001203419346 747772681 /nfs/dbraw/zinc/77/26/81/747772681.db2.gz LPXKYVUMOZHXTJ-HUUCEWRRSA-N 1 1 331.420 0.404 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3nnn(C)c3C)CC2)C1 ZINC001088231349 747791092 /nfs/dbraw/zinc/79/10/92/747791092.db2.gz OVHGRENIGIOVDS-MRXNPFEDSA-N 1 1 345.447 0.700 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001088233643 747795699 /nfs/dbraw/zinc/79/56/99/747795699.db2.gz WEMVODQATMHMLY-HZPDHXFCSA-N 1 1 349.431 0.448 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001088234322 747803210 /nfs/dbraw/zinc/80/32/10/747803210.db2.gz ONFKVKSRBKBLKZ-QGZVFWFLSA-N 1 1 345.447 0.631 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O ZINC000985368380 747807252 /nfs/dbraw/zinc/80/72/52/747807252.db2.gz VHOITHCOKGIJOG-OAHLLOKOSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC001002826948 747840785 /nfs/dbraw/zinc/84/07/85/747840785.db2.gz QYNPFPDGZSSNNZ-LPHOPBHVSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC001002826948 747840792 /nfs/dbraw/zinc/84/07/92/747840792.db2.gz QYNPFPDGZSSNNZ-LPHOPBHVSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c(C)ccn2C)C1 ZINC001002829787 747846366 /nfs/dbraw/zinc/84/63/66/747846366.db2.gz OLOBUUYVUMMBMN-INIZCTEOSA-N 1 1 342.443 0.619 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c(C)ccn2C)C1 ZINC001002829787 747846376 /nfs/dbraw/zinc/84/63/76/747846376.db2.gz OLOBUUYVUMMBMN-INIZCTEOSA-N 1 1 342.443 0.619 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ocnc2C)C1 ZINC001002830861 747848391 /nfs/dbraw/zinc/84/83/91/747848391.db2.gz WYXHDXJFRNZNLL-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ocnc2C)C1 ZINC001002830861 747848402 /nfs/dbraw/zinc/84/84/02/747848402.db2.gz WYXHDXJFRNZNLL-AWEZNQCLSA-N 1 1 330.388 0.269 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001002836183 747858764 /nfs/dbraw/zinc/85/87/64/747858764.db2.gz RLEMNXPFVPVZTD-RDJZCZTQSA-N 1 1 346.475 0.000 20 30 ECEDMO C[N@@H+](C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)[C@@H]1CCCNC1=O ZINC000985388264 747875433 /nfs/dbraw/zinc/87/54/33/747875433.db2.gz KHHUZSSVMISDFK-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001088239049 747877710 /nfs/dbraw/zinc/87/77/10/747877710.db2.gz KVNDASSWBWZLME-INIZCTEOSA-N 1 1 345.447 0.782 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001002929578 747972517 /nfs/dbraw/zinc/97/25/17/747972517.db2.gz FWWAWEIKPXCHJD-STQMWFEESA-N 1 1 347.419 0.959 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001002929575 747972546 /nfs/dbraw/zinc/97/25/46/747972546.db2.gz FWWAWEIKPXCHJD-OLZOCXBDSA-N 1 1 347.419 0.959 20 30 ECEDMO Cn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001029708288 748111445 /nfs/dbraw/zinc/11/14/45/748111445.db2.gz NSLCDYJHQUQFOQ-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO Cn1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001029708288 748111451 /nfs/dbraw/zinc/11/14/51/748111451.db2.gz NSLCDYJHQUQFOQ-GFCCVEGCSA-N 1 1 327.392 0.609 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000979616189 748125202 /nfs/dbraw/zinc/12/52/02/748125202.db2.gz YZMABMYSBMXLEO-MRVWCRGKSA-N 1 1 329.404 0.463 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000979666364 748188036 /nfs/dbraw/zinc/18/80/36/748188036.db2.gz TWLPDPFXNAZLPS-UMVBOHGHSA-N 1 1 343.431 0.853 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059553583 748274478 /nfs/dbraw/zinc/27/44/78/748274478.db2.gz VMQDIYCJYUXBNM-IXDOHACOSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059553583 748274482 /nfs/dbraw/zinc/27/44/82/748274482.db2.gz VMQDIYCJYUXBNM-IXDOHACOSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nnn(C(C)(C)C)n3)C[C@H]2C1 ZINC000979724331 748291293 /nfs/dbraw/zinc/29/12/93/748291293.db2.gz DPQBJXDAIZBNFL-IHRRRGAJSA-N 1 1 330.436 0.892 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCCC2)[nH]1 ZINC001027834146 748333882 /nfs/dbraw/zinc/33/38/82/748333882.db2.gz VCZSLTJUBQZNBF-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)[nH]1 ZINC001027834146 748333889 /nfs/dbraw/zinc/33/38/89/748333889.db2.gz VCZSLTJUBQZNBF-CQSZACIVSA-N 1 1 329.404 0.703 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC000979733765 748344942 /nfs/dbraw/zinc/34/49/42/748344942.db2.gz UFDNHAGDSULUMU-IHRRRGAJSA-N 1 1 346.435 0.170 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000979789679 748420810 /nfs/dbraw/zinc/42/08/10/748420810.db2.gz HWDQHZUENVISFY-VIQHNZTISA-N 1 1 349.475 0.930 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC000985549693 748455362 /nfs/dbraw/zinc/45/53/62/748455362.db2.gz DKSSLOOUEYTINH-UHFFFAOYSA-N 1 1 341.843 0.647 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2coc(C)n2)C1=O ZINC001027843263 748514564 /nfs/dbraw/zinc/51/45/64/748514564.db2.gz UAJBEMBWFLAKKX-DZGCQCFKSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2coc(C)n2)C1=O ZINC001027843263 748514572 /nfs/dbraw/zinc/51/45/72/748514572.db2.gz UAJBEMBWFLAKKX-DZGCQCFKSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001027845096 748558988 /nfs/dbraw/zinc/55/89/88/748558988.db2.gz HJFBYPZUGZMYKQ-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001027845096 748558994 /nfs/dbraw/zinc/55/89/94/748558994.db2.gz HJFBYPZUGZMYKQ-GOEBONIOSA-N 1 1 345.447 0.884 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029822189 748604792 /nfs/dbraw/zinc/60/47/92/748604792.db2.gz ZLCQHUINMRZUTB-BBRMVZONSA-N 1 1 341.415 0.520 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001003531412 748649771 /nfs/dbraw/zinc/64/97/71/748649771.db2.gz WZRWMUQWTSZDPB-KRWDZBQOSA-N 1 1 325.412 0.950 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccccc2)CC1)[C@H]1CNC(=O)N1 ZINC001003533048 748652032 /nfs/dbraw/zinc/65/20/32/748652032.db2.gz JOOQJNVYMCPQHO-MRXNPFEDSA-N 1 1 326.400 0.300 20 30 ECEDMO N#Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)ccc1F ZINC001003533352 748652790 /nfs/dbraw/zinc/65/27/90/748652790.db2.gz UOKPVPRUEZWGIE-HNNXBMFYSA-N 1 1 345.378 0.459 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985606729 748733149 /nfs/dbraw/zinc/73/31/49/748733149.db2.gz BJYLVFJLENFWOE-INIZCTEOSA-N 1 1 341.415 0.662 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@@H+](C)Cc3nncn3C)CC2)c1 ZINC000985637857 748774421 /nfs/dbraw/zinc/77/44/21/748774421.db2.gz NUMMLZQAQRFUPB-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@H+](C)Cc3nncn3C)CC2)c1 ZINC000985637857 748774426 /nfs/dbraw/zinc/77/44/26/748774426.db2.gz NUMMLZQAQRFUPB-UHFFFAOYSA-N 1 1 338.415 0.928 20 30 ECEDMO C#CCOc1ccc(C(=O)NC2CC[NH+]([C@H](C)C(N)=O)CC2)cc1 ZINC001003757782 748865319 /nfs/dbraw/zinc/86/53/19/748865319.db2.gz ULFFYPDBVIJWRA-CYBMUJFWSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817737 748901846 /nfs/dbraw/zinc/90/18/46/748901846.db2.gz QMVCJLALKGUWOR-UHFFFAOYSA-N 1 1 325.453 0.459 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]2C1 ZINC000980085310 748943188 /nfs/dbraw/zinc/94/31/88/748943188.db2.gz MMFJUXLELJTLJT-JYJNAYRXSA-N 1 1 347.463 0.765 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)Cc3cnc[nH]3)C2)cn1 ZINC000980080571 748949143 /nfs/dbraw/zinc/94/91/43/748949143.db2.gz GFGHMQSFYRQOSM-NNUKFRKNSA-N 1 1 337.383 0.653 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cn(C)nn3)C2)nn1 ZINC001029860822 748970485 /nfs/dbraw/zinc/97/04/85/748970485.db2.gz XPPWIGUACCAIDE-ZDUSSCGKSA-N 1 1 344.423 0.187 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cn(C)nn3)C2)nn1 ZINC001029860822 748970493 /nfs/dbraw/zinc/97/04/93/748970493.db2.gz XPPWIGUACCAIDE-ZDUSSCGKSA-N 1 1 344.423 0.187 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC001003908547 749032820 /nfs/dbraw/zinc/03/28/20/749032820.db2.gz GIAPLHMTQCCTDI-UHFFFAOYSA-N 1 1 342.827 0.650 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccoc3CC(N)=O)C[C@H]2C1 ZINC000980174132 749123384 /nfs/dbraw/zinc/12/33/84/749123384.db2.gz PPULLPPFUFYEGQ-IHRRRGAJSA-N 1 1 329.400 0.771 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CCS(=O)(=O)CC3)C[C@H]2C1 ZINC000980192460 749125758 /nfs/dbraw/zinc/12/57/58/749125758.db2.gz MYHNBIUHWISYQL-JYJNAYRXSA-N 1 1 338.473 0.661 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4ccccc34)C2)nn1 ZINC001105345776 749166189 /nfs/dbraw/zinc/16/61/89/749166189.db2.gz MQBOPHDBGFWVAM-UHFFFAOYSA-N 1 1 337.387 0.899 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)cn1 ZINC000980206275 749182248 /nfs/dbraw/zinc/18/22/48/749182248.db2.gz DKFZQFYZLPUZGY-HLLBOEOZSA-N 1 1 340.427 0.639 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC000980235507 749218906 /nfs/dbraw/zinc/21/89/06/749218906.db2.gz ATIZEUAFIJRKIQ-AVGNSLFASA-N 1 1 327.388 0.039 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 ZINC000980245854 749233688 /nfs/dbraw/zinc/23/36/88/749233688.db2.gz OZXZHXIRZJFMQI-RRFJBIMHSA-N 1 1 348.447 0.673 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cn(C)c(=O)n3C)C[C@H]2C1 ZINC000980240742 749245613 /nfs/dbraw/zinc/24/56/13/749245613.db2.gz AIJFCOMUOOADHO-KKUMJFAQSA-N 1 1 330.432 0.577 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC000980271054 749281969 /nfs/dbraw/zinc/28/19/69/749281969.db2.gz SXTTUDSRWPEXIL-MSOLQXFVSA-N 1 1 339.439 0.974 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001004198608 749305119 /nfs/dbraw/zinc/30/51/19/749305119.db2.gz FXUQXLCHOOGFAI-OAHLLOKOSA-N 1 1 340.427 0.593 20 30 ECEDMO C#Cc1cncc(C(=O)NCC2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001004202335 749309645 /nfs/dbraw/zinc/30/96/45/749309645.db2.gz VHFPWTXXIQXRBB-QGZVFWFLSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc[n+]([O-])cc3)[C@H]2C)C1=O ZINC001088456461 749449411 /nfs/dbraw/zinc/44/94/11/749449411.db2.gz SILXCPCYJQJPOE-KBMXLJTQSA-N 1 1 344.415 0.300 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc[n+]([O-])cc3)[C@H]2C)C1=O ZINC001088456461 749449416 /nfs/dbraw/zinc/44/94/16/749449416.db2.gz SILXCPCYJQJPOE-KBMXLJTQSA-N 1 1 344.415 0.300 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cnn(C)n3)C2)cn1 ZINC001029891859 749465514 /nfs/dbraw/zinc/46/55/14/749465514.db2.gz LZWPNECFLQURMK-CQSZACIVSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cnn(C)n3)C2)cn1 ZINC001029891859 749465519 /nfs/dbraw/zinc/46/55/19/749465519.db2.gz LZWPNECFLQURMK-CQSZACIVSA-N 1 1 338.415 0.786 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cnnn3C)C2)cn1 ZINC001029893036 749480549 /nfs/dbraw/zinc/48/05/49/749480549.db2.gz YTKFALOBASUMSX-AWEZNQCLSA-N 1 1 338.415 0.786 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001004455537 749521114 /nfs/dbraw/zinc/52/11/14/749521114.db2.gz KMEJRQVAMHDETC-XHDPSFHLSA-N 1 1 329.404 0.272 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC001004456088 749521775 /nfs/dbraw/zinc/52/17/75/749521775.db2.gz LNLYLKGTGGNDDT-DYVFJYSZSA-N 1 1 340.427 0.449 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001004456239 749522633 /nfs/dbraw/zinc/52/26/33/749522633.db2.gz GLCDBVOUCOOSDR-INIZCTEOSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC001004467791 749535700 /nfs/dbraw/zinc/53/57/00/749535700.db2.gz DHSHUFCBRUETLS-UKRRQHHQSA-N 1 1 326.462 0.756 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC001029904387 749538812 /nfs/dbraw/zinc/53/88/12/749538812.db2.gz UTXZQTXEJKRRKX-GDBMZVCRSA-N 1 1 345.447 0.601 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)nn1 ZINC001098740753 749551945 /nfs/dbraw/zinc/55/19/45/749551945.db2.gz UVMVDVRHLCCWBI-HNNXBMFYSA-N 1 1 329.408 0.683 20 30 ECEDMO C[C@@H]1[C@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000986137859 749603251 /nfs/dbraw/zinc/60/32/51/749603251.db2.gz XGKBBZKWOLSNPJ-DGCLKSJQSA-N 1 1 345.382 0.840 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)[C@@H]3CCN(C)C3=O)C2)CC1 ZINC000980477484 749630256 /nfs/dbraw/zinc/63/02/56/749630256.db2.gz HAWGZICATUHPJE-IAGOWNOFSA-N 1 1 346.475 0.095 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCN1CCCC1=O ZINC001027939225 749643806 /nfs/dbraw/zinc/64/38/06/749643806.db2.gz KLZYJRNNDDXPAE-SJORKVTESA-N 1 1 346.475 0.287 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001004575200 749648198 /nfs/dbraw/zinc/64/81/98/749648198.db2.gz AUGUZSMMCXYGSK-GJZGRUSLSA-N 1 1 346.431 0.311 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cnns1 ZINC001027943559 749660482 /nfs/dbraw/zinc/66/04/82/749660482.db2.gz NVUYHTMDVTVLPU-HIFRSBDPSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1cnns1 ZINC001027943559 749660485 /nfs/dbraw/zinc/66/04/85/749660485.db2.gz NVUYHTMDVTVLPU-HIFRSBDPSA-N 1 1 333.461 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nccn1C ZINC001027944562 749681174 /nfs/dbraw/zinc/68/11/74/749681174.db2.gz ZYHUZZCLQHRNAC-CVEARBPZSA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nccn1C ZINC001027944562 749681177 /nfs/dbraw/zinc/68/11/77/749681177.db2.gz ZYHUZZCLQHRNAC-CVEARBPZSA-N 1 1 329.448 0.598 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001004619973 749697374 /nfs/dbraw/zinc/69/73/74/749697374.db2.gz DXBJXYGCDVSQOW-OAHLLOKOSA-N 1 1 346.431 0.265 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001004621912 749699257 /nfs/dbraw/zinc/69/92/57/749699257.db2.gz KVHNVMJJQNCUEA-INIZCTEOSA-N 1 1 345.443 0.862 20 30 ECEDMO C[C@H]1[C@H]([NH2+]Cc2nnc3n2CCOC3)CCN1C(=O)C#CC1CC1 ZINC000986277131 749745872 /nfs/dbraw/zinc/74/58/72/749745872.db2.gz ISFPXXRLCPFRBU-GXTWGEPZSA-N 1 1 329.404 0.301 20 30 ECEDMO C[C@@H]1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)CN1C(=O)C#CC1CC1 ZINC000980575538 749802580 /nfs/dbraw/zinc/80/25/80/749802580.db2.gz PWHOFBRGTIVTNE-OCCSQVGLSA-N 1 1 331.420 0.876 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2c(C)ncn2C)C1=O ZINC001027953198 749825858 /nfs/dbraw/zinc/82/58/58/749825858.db2.gz YRNDNUKRUKBESW-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2c(C)ncn2C)C1=O ZINC001027953198 749825863 /nfs/dbraw/zinc/82/58/63/749825863.db2.gz YRNDNUKRUKBESW-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C[N@@H+](CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)[C@@H]1CCNC1=O ZINC001029956833 750071802 /nfs/dbraw/zinc/07/18/02/750071802.db2.gz GGPFSKCXYYBJGW-OAHLLOKOSA-N 1 1 329.404 0.559 20 30 ECEDMO CN(CCN(C)c1ccc(C#N)cn1)C(=O)CC[NH+]1CCOCC1 ZINC001105433746 750079456 /nfs/dbraw/zinc/07/94/56/750079456.db2.gz APEHVOVFXYXXPR-UHFFFAOYSA-N 1 1 331.420 0.570 20 30 ECEDMO C=CCCOCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058845506 750088235 /nfs/dbraw/zinc/08/82/35/750088235.db2.gz PPPZUGBEIBJVAZ-HNNXBMFYSA-N 1 1 341.452 0.001 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058846793 750103418 /nfs/dbraw/zinc/10/34/18/750103418.db2.gz GARBUEWOVKNUPH-INIZCTEOSA-N 1 1 337.464 0.459 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058847990 750123164 /nfs/dbraw/zinc/12/31/64/750123164.db2.gz YXSHWOLQGFQEKG-OAHLLOKOSA-N 1 1 339.480 0.868 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3nnn(C)n3)C[C@H]2C)cn1 ZINC000980769060 750124448 /nfs/dbraw/zinc/12/44/48/750124448.db2.gz BDZDZNZAPLLSRD-CHWSQXEVSA-N 1 1 339.403 0.227 20 30 ECEDMO CN(CCCN(C)c1cncc(C#N)n1)C(=O)CC[NH+]1CCOCC1 ZINC001112102203 762019833 /nfs/dbraw/zinc/01/98/33/762019833.db2.gz WKGYFBPJRWEEGM-UHFFFAOYSA-N 1 1 346.435 0.355 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001027999647 750281781 /nfs/dbraw/zinc/28/17/81/750281781.db2.gz MFGASSFAECTVIE-CYBMUJFWSA-N 1 1 328.372 0.630 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccnn3CC)[C@H]2C)C1=O ZINC001088541323 750447538 /nfs/dbraw/zinc/44/75/38/750447538.db2.gz XCLWLXZJNSTWNH-IJEWVQPXSA-N 1 1 345.447 0.883 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccnn3CC)[C@H]2C)C1=O ZINC001088541323 750447540 /nfs/dbraw/zinc/44/75/40/750447540.db2.gz XCLWLXZJNSTWNH-IJEWVQPXSA-N 1 1 345.447 0.883 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028073815 750499144 /nfs/dbraw/zinc/49/91/44/750499144.db2.gz YLTBHKLVCUBCSM-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028073815 750499150 /nfs/dbraw/zinc/49/91/50/750499150.db2.gz YLTBHKLVCUBCSM-HZPDHXFCSA-N 1 1 326.400 0.775 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)s1 ZINC001028073533 750506009 /nfs/dbraw/zinc/50/60/09/750506009.db2.gz VDIYCEKONQWIHT-FZMZJTMJSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)s1 ZINC001028073533 750506012 /nfs/dbraw/zinc/50/60/12/750506012.db2.gz VDIYCEKONQWIHT-FZMZJTMJSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)s1 ZINC001028073535 750506086 /nfs/dbraw/zinc/50/60/86/750506086.db2.gz VDIYCEKONQWIHT-SMDDNHRTSA-N 1 1 332.429 0.836 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)s1 ZINC001028073535 750506089 /nfs/dbraw/zinc/50/60/89/750506089.db2.gz VDIYCEKONQWIHT-SMDDNHRTSA-N 1 1 332.429 0.836 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001005676777 750518764 /nfs/dbraw/zinc/51/87/64/750518764.db2.gz PGXJXZTYLOYRTA-UHFFFAOYSA-N 1 1 340.811 0.624 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)n1 ZINC001028078687 750546269 /nfs/dbraw/zinc/54/62/69/750546269.db2.gz PELSCOIBVXKSGD-CQSZACIVSA-N 1 1 325.376 0.476 20 30 ECEDMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)n1 ZINC001028078687 750546274 /nfs/dbraw/zinc/54/62/74/750546274.db2.gz PELSCOIBVXKSGD-CQSZACIVSA-N 1 1 325.376 0.476 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000981370416 750633980 /nfs/dbraw/zinc/63/39/80/750633980.db2.gz SKRONVQFJSSZCZ-KCQAQPDRSA-N 1 1 343.431 0.853 20 30 ECEDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001005801496 750652105 /nfs/dbraw/zinc/65/21/05/750652105.db2.gz AGHOIVCZHUZRKG-XHDPSFHLSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1=O ZINC000981396312 750660191 /nfs/dbraw/zinc/66/01/91/750660191.db2.gz OLVMEUSDZQYICC-ZDUSSCGKSA-N 1 1 347.419 0.359 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)C1=O ZINC000981396312 750660192 /nfs/dbraw/zinc/66/01/92/750660192.db2.gz OLVMEUSDZQYICC-ZDUSSCGKSA-N 1 1 347.419 0.359 20 30 ECEDMO C#CCC[N@@H+]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000981473836 750729845 /nfs/dbraw/zinc/72/98/45/750729845.db2.gz KAEICGHVLSKUPB-UHFFFAOYSA-N 1 1 325.390 0.098 20 30 ECEDMO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001005862316 750741762 /nfs/dbraw/zinc/74/17/62/750741762.db2.gz LILFQIZCAWBJIP-NHYWBVRUSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnc(C)n2C)C1=O ZINC001028098846 750773091 /nfs/dbraw/zinc/77/30/91/750773091.db2.gz WQLHUFFZXGQXRG-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnc(C)n2C)C1=O ZINC001028098846 750773094 /nfs/dbraw/zinc/77/30/94/750773094.db2.gz WQLHUFFZXGQXRG-HUUCEWRRSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)nn1 ZINC001098640957 750815247 /nfs/dbraw/zinc/81/52/47/750815247.db2.gz ORBJVEQNJLOFLP-CQSZACIVSA-N 1 1 329.408 0.981 20 30 ECEDMO C=CCC[N@H+]1CCCN(C(=O)CN2CCCCS2(=O)=O)CC1 ZINC000981626124 750900191 /nfs/dbraw/zinc/90/01/91/750900191.db2.gz IJNMLTGBZGSNIV-UHFFFAOYSA-N 1 1 329.466 0.522 20 30 ECEDMO CC#CC[N@@H+]1CCCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC000981687691 750959239 /nfs/dbraw/zinc/95/92/39/750959239.db2.gz KMVVRZGLMHOTLD-UHFFFAOYSA-N 1 1 327.388 0.502 20 30 ECEDMO CC#CC[N@H+]1CCCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC000981687691 750959246 /nfs/dbraw/zinc/95/92/46/750959246.db2.gz KMVVRZGLMHOTLD-UHFFFAOYSA-N 1 1 327.388 0.502 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CCn3cccn3)[C@H]2C)CC1 ZINC000987573242 750975269 /nfs/dbraw/zinc/97/52/69/750975269.db2.gz ZIUCMNLKQRGCRK-AEFFLSMTSA-N 1 1 343.475 0.807 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cn(C)c(=O)[nH]2)C1=O ZINC001028115320 750975370 /nfs/dbraw/zinc/97/53/70/750975370.db2.gz JGQLTKPOMVAMDR-JSGCOSHPSA-N 1 1 347.419 0.107 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC3(C2)CCC[N@H+]([C@@H]2CCNC2=O)C3)c1 ZINC000981694798 750981025 /nfs/dbraw/zinc/98/10/25/750981025.db2.gz KCMQHBXEZHLDFV-CQSZACIVSA-N 1 1 327.388 0.313 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)C2CC[NH+]([C@H](C)C(=O)NC)CC2)nn1 ZINC001006111767 751026072 /nfs/dbraw/zinc/02/60/72/751026072.db2.gz BQLJXWPYAREERM-CYBMUJFWSA-N 1 1 348.451 0.525 20 30 ECEDMO N#Cc1cccc(C[N@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)c1 ZINC000981747231 751066374 /nfs/dbraw/zinc/06/63/74/751066374.db2.gz VXHYEQQAIFLZCD-INIZCTEOSA-N 1 1 326.400 0.729 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)c1 ZINC000981747231 751066379 /nfs/dbraw/zinc/06/63/79/751066379.db2.gz VXHYEQQAIFLZCD-INIZCTEOSA-N 1 1 326.400 0.729 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cn(CCOC)nn3)C2)C1 ZINC000981758690 751081292 /nfs/dbraw/zinc/08/12/92/751081292.db2.gz ZVLPBGFFDXAQAC-UHFFFAOYSA-N 1 1 331.420 0.486 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C2)C1 ZINC000981874496 751229316 /nfs/dbraw/zinc/22/93/16/751229316.db2.gz MZDWUYSVEDVSGF-UHFFFAOYSA-N 1 1 340.383 0.584 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2[nH]ccc2C)C1 ZINC001006312018 751229542 /nfs/dbraw/zinc/22/95/42/751229542.db2.gz AZDOBKSMEHCLKL-ZBFHGGJFSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2[nH]ccc2C)C1 ZINC001006312018 751229546 /nfs/dbraw/zinc/22/95/46/751229546.db2.gz AZDOBKSMEHCLKL-ZBFHGGJFSA-N 1 1 342.443 0.997 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981879150 751230496 /nfs/dbraw/zinc/23/04/96/751230496.db2.gz ZQYPWWLBCDLKAD-OAHLLOKOSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981879150 751230497 /nfs/dbraw/zinc/23/04/97/751230497.db2.gz ZQYPWWLBCDLKAD-OAHLLOKOSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cccn2C)C1 ZINC001006320891 751243434 /nfs/dbraw/zinc/24/34/34/751243434.db2.gz PRKOWASRQXGYDZ-ZBFHGGJFSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cccn2C)C1 ZINC001006320891 751243440 /nfs/dbraw/zinc/24/34/40/751243440.db2.gz PRKOWASRQXGYDZ-ZBFHGGJFSA-N 1 1 342.443 0.699 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2nonc2C)C1 ZINC001006347583 751271589 /nfs/dbraw/zinc/27/15/89/751271589.db2.gz GGLPIKKNSNRHMN-RISCZKNCSA-N 1 1 345.403 0.052 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2nonc2C)C1 ZINC001006347583 751271596 /nfs/dbraw/zinc/27/15/96/751271596.db2.gz GGLPIKKNSNRHMN-RISCZKNCSA-N 1 1 345.403 0.052 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000981936776 751303066 /nfs/dbraw/zinc/30/30/66/751303066.db2.gz AEZZBXYRIIXSDA-CYBMUJFWSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ccnnc2)C1=O ZINC001028160971 751317600 /nfs/dbraw/zinc/31/76/00/751317600.db2.gz FNUPLVLFVXMBKI-GJZGRUSLSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ccnnc2)C1=O ZINC001028160971 751317605 /nfs/dbraw/zinc/31/76/05/751317605.db2.gz FNUPLVLFVXMBKI-GJZGRUSLSA-N 1 1 329.404 0.458 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001007338796 752305550 /nfs/dbraw/zinc/30/55/50/752305550.db2.gz SZESXQCTPGKNQY-ZIAGYGMSSA-N 1 1 329.404 0.367 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1nc(C)ccc1C#N ZINC001126355032 752380169 /nfs/dbraw/zinc/38/01/69/752380169.db2.gz AERNAMZRISTVHN-INIZCTEOSA-N 1 1 345.447 0.782 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC001059910421 752419372 /nfs/dbraw/zinc/41/93/72/752419372.db2.gz PBJRMHKVPYRQMD-DZGCQCFKSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1OC ZINC001212032257 752430568 /nfs/dbraw/zinc/43/05/68/752430568.db2.gz RPODDXWNSXLREP-HZPDHXFCSA-N 1 1 348.447 0.666 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1OC ZINC001212032257 752430570 /nfs/dbraw/zinc/43/05/70/752430570.db2.gz RPODDXWNSXLREP-HZPDHXFCSA-N 1 1 348.447 0.666 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 ZINC001007480991 752432588 /nfs/dbraw/zinc/43/25/88/752432588.db2.gz BCADAOSXILQIFN-JDFRZJQESA-N 1 1 329.404 0.849 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](NC(C)=O)C(C)C)C2)nn1 ZINC001105365446 752446509 /nfs/dbraw/zinc/44/65/09/752446509.db2.gz SWUHQMXNGIABND-MRXNPFEDSA-N 1 1 348.451 0.488 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001007502060 752457456 /nfs/dbraw/zinc/45/74/56/752457456.db2.gz GBBCZXCEDGLQKS-OAHLLOKOSA-N 1 1 345.447 0.894 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3[nH]cnc3C)C2)nn1 ZINC001105366564 752464336 /nfs/dbraw/zinc/46/43/36/752464336.db2.gz XHYXWJUXSCIHNG-UHFFFAOYSA-N 1 1 329.408 0.601 20 30 ECEDMO CCc1nnc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)n1C ZINC000988649987 752469983 /nfs/dbraw/zinc/46/99/83/752469983.db2.gz DEGDZUBWGOTYCQ-DGCLKSJQSA-N 1 1 341.419 0.970 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nc(CC)no2)C1 ZINC001007519240 752475811 /nfs/dbraw/zinc/47/58/11/752475811.db2.gz MNAVCTHAMLLOOU-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nc(CC)no2)C1 ZINC001007519240 752475815 /nfs/dbraw/zinc/47/58/15/752475815.db2.gz MNAVCTHAMLLOOU-CABCVRRESA-N 1 1 345.447 0.810 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccccn3)C2)C1=O ZINC001028372584 752493651 /nfs/dbraw/zinc/49/36/51/752493651.db2.gz VSGKJSRMIILKGU-HOCLYGCPSA-N 1 1 328.416 0.920 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3cnc(C)cn3)C2)C1=O ZINC001028382067 752509618 /nfs/dbraw/zinc/50/96/18/752509618.db2.gz DHTGPFNQDAACIK-ZBFHGGJFSA-N 1 1 343.431 0.624 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001058982942 752545633 /nfs/dbraw/zinc/54/56/33/752545633.db2.gz LXZDFGCUURTYPJ-CABCVRRESA-N 1 1 342.447 0.761 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CNC(=O)N3)C[C@@]2(C)C1 ZINC000982498536 752559467 /nfs/dbraw/zinc/55/94/67/752559467.db2.gz YHBDTBGTPXKXES-DFBGVHRSSA-N 1 1 326.828 0.591 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CNC(=O)N3)C[C@@]2(C)C1 ZINC000982498536 752559470 /nfs/dbraw/zinc/55/94/70/752559470.db2.gz YHBDTBGTPXKXES-DFBGVHRSSA-N 1 1 326.828 0.591 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937853230 752573091 /nfs/dbraw/zinc/57/30/91/752573091.db2.gz KHNRJMXWGUEDJA-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1COCCO1 ZINC001028412946 752584585 /nfs/dbraw/zinc/58/45/85/752584585.db2.gz TZDIEESZZXGTPV-ZWKOTPCHSA-N 1 1 328.412 0.892 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001028420559 752592010 /nfs/dbraw/zinc/59/20/10/752592010.db2.gz MBAXGVVFGYAXSK-WMLDXEAASA-N 1 1 329.400 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncccn2)[C@@H]1C ZINC000988738396 752640869 /nfs/dbraw/zinc/64/08/69/752640869.db2.gz OGEUKMIXIXMGSR-ILXRZTDVSA-N 1 1 341.415 0.293 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncccn2)[C@@H]1C ZINC000988738396 752640873 /nfs/dbraw/zinc/64/08/73/752640873.db2.gz OGEUKMIXIXMGSR-ILXRZTDVSA-N 1 1 341.415 0.293 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cscn3)C2)C1=O ZINC001028441839 752659467 /nfs/dbraw/zinc/65/94/67/752659467.db2.gz OVXAWEBUVMROIW-TZMCWYRMSA-N 1 1 334.445 0.982 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)C3=COCCC3)C2)C1=O ZINC001028445454 752673520 /nfs/dbraw/zinc/67/35/20/752673520.db2.gz QIKQEORXNSHNLP-GOEBONIOSA-N 1 1 333.432 0.906 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001028448972 752677633 /nfs/dbraw/zinc/67/76/33/752677633.db2.gz RBDPVTGIDLGUGJ-UKRRQHHQSA-N 1 1 331.420 0.557 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000938040331 752739689 /nfs/dbraw/zinc/73/96/89/752739689.db2.gz XEVQHSQYWYWGPQ-XOKHGSTOSA-N 1 1 340.427 0.734 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001007668752 752749370 /nfs/dbraw/zinc/74/93/70/752749370.db2.gz QKWFJWSYAMSKRV-KDOFPFPSSA-N 1 1 348.447 0.460 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)c1 ZINC001028467514 752761574 /nfs/dbraw/zinc/76/15/74/752761574.db2.gz CWEBBRHUZPSCDW-JSGCOSHPSA-N 1 1 339.403 0.717 20 30 ECEDMO CCn1cc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001028468596 752764391 /nfs/dbraw/zinc/76/43/91/752764391.db2.gz ZBTXYUQZGICQPP-LBPRGKRZSA-N 1 1 327.392 0.750 20 30 ECEDMO CCn1cc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001028468596 752764394 /nfs/dbraw/zinc/76/43/94/752764394.db2.gz ZBTXYUQZGICQPP-LBPRGKRZSA-N 1 1 327.392 0.750 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccco2)[C@@H](O)C1 ZINC001083455012 752823856 /nfs/dbraw/zinc/82/38/56/752823856.db2.gz HYRYEZZTOHQNOY-KGLIPLIRSA-N 1 1 328.372 0.478 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccco2)[C@@H](O)C1 ZINC001083455012 752823863 /nfs/dbraw/zinc/82/38/63/752823863.db2.gz HYRYEZZTOHQNOY-KGLIPLIRSA-N 1 1 328.372 0.478 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001028490337 752830902 /nfs/dbraw/zinc/83/09/02/752830902.db2.gz KGSRAFDGXYJXCT-QWHCGFSZSA-N 1 1 346.269 0.664 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001028490337 752830910 /nfs/dbraw/zinc/83/09/10/752830910.db2.gz KGSRAFDGXYJXCT-QWHCGFSZSA-N 1 1 346.269 0.664 20 30 ECEDMO CN1CCC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001028487327 752833848 /nfs/dbraw/zinc/83/38/48/752833848.db2.gz VFHLHPMCOAXEIM-WFASDCNBSA-N 1 1 329.404 0.559 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001007712873 752848478 /nfs/dbraw/zinc/84/84/78/752848478.db2.gz PJAZGFPFUTZHSP-SUMWQHHRSA-N 1 1 345.403 0.181 20 30 ECEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@]2(C)C1 ZINC000982554021 752883022 /nfs/dbraw/zinc/88/30/22/752883022.db2.gz SBIJZKWVMFHUTK-IHETXDGRSA-N 1 1 333.432 0.213 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001059930242 752890916 /nfs/dbraw/zinc/89/09/16/752890916.db2.gz AHBQPZABKODPJC-ZIAGYGMSSA-N 1 1 328.420 0.633 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cncn3C)C2)C1=O ZINC001007813555 752955296 /nfs/dbraw/zinc/95/52/96/752955296.db2.gz UYZYFQWXKWIBRV-ZIAGYGMSSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cncn3C)C2)C1=O ZINC001007813555 752955301 /nfs/dbraw/zinc/95/53/01/752955301.db2.gz UYZYFQWXKWIBRV-ZIAGYGMSSA-N 1 1 331.420 0.401 20 30 ECEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001028519311 753015843 /nfs/dbraw/zinc/01/58/43/753015843.db2.gz MSOONPSFZKUZHN-IUODEOHRSA-N 1 1 346.362 0.744 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3cnn(CC)n3)C2)C1=O ZINC001028525108 753064273 /nfs/dbraw/zinc/06/42/73/753064273.db2.gz ZGWPKABFQBGAFO-ZFWWWQNUSA-N 1 1 346.435 0.137 20 30 ECEDMO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001059942008 753100496 /nfs/dbraw/zinc/10/04/96/753100496.db2.gz SXUZCOUILUETJI-HNNXBMFYSA-N 1 1 334.420 0.749 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1C ZINC001105845567 762186519 /nfs/dbraw/zinc/18/65/19/762186519.db2.gz ODYLMGHPYZKEDF-ZIAGYGMSSA-N 1 1 346.435 0.470 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C ZINC001007970296 753151332 /nfs/dbraw/zinc/15/13/32/753151332.db2.gz QKOJZDICEQBNAP-CABCVRRESA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000982665961 753258635 /nfs/dbraw/zinc/25/86/35/753258635.db2.gz TXCSXPAKQIUQBE-QWHCGFSZSA-N 1 1 329.404 0.416 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(-c3ccco3)no2)C1 ZINC001051494965 762206630 /nfs/dbraw/zinc/20/66/30/762206630.db2.gz PPUXUZIZJOCSFA-RYUDHWBXSA-N 1 1 345.359 0.806 20 30 ECEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982714193 753388818 /nfs/dbraw/zinc/38/88/18/753388818.db2.gz SMVDKFIQJMEOCL-HDICACEKSA-N 1 1 348.447 0.675 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000938131571 753390830 /nfs/dbraw/zinc/39/08/30/753390830.db2.gz SIEFOQAHAWHVTD-GOEBONIOSA-N 1 1 346.431 0.335 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000938131571 753390832 /nfs/dbraw/zinc/39/08/32/753390832.db2.gz SIEFOQAHAWHVTD-GOEBONIOSA-N 1 1 346.431 0.335 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@]3(C)C[N@H+](CC(=O)NC)C[C@]3(C)C2)cn1 ZINC000982739768 753450789 /nfs/dbraw/zinc/45/07/89/753450789.db2.gz AJURDWAGHANKMV-KDURUIRLSA-N 1 1 340.427 0.593 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1C[C@]2(C)C[N@H+](CCO)C[C@]2(C)C1 ZINC000982742108 753473430 /nfs/dbraw/zinc/47/34/30/753473430.db2.gz YUTOUULYUCHCIY-KDURUIRLSA-N 1 1 343.427 0.870 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)ncn3C)[C@H]2C)C1=O ZINC001088639668 753490326 /nfs/dbraw/zinc/49/03/26/753490326.db2.gz JJGBVQNJNXYASQ-QLFBSQMISA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)ncn3C)[C@H]2C)C1=O ZINC001088639668 753490328 /nfs/dbraw/zinc/49/03/28/753490328.db2.gz JJGBVQNJNXYASQ-QLFBSQMISA-N 1 1 345.447 0.708 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnc[nH]c3=O)[C@H]2C)C1=O ZINC001088649817 753544188 /nfs/dbraw/zinc/54/41/88/753544188.db2.gz XNIHDPLBUMYBMP-XBFCOCLRSA-N 1 1 345.403 0.162 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000982792533 753595127 /nfs/dbraw/zinc/59/51/27/753595127.db2.gz JACYKXGGDUWPGI-HDICACEKSA-N 1 1 333.432 0.882 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H]1C ZINC001088663064 753644884 /nfs/dbraw/zinc/64/48/84/753644884.db2.gz OALARXWIESUETP-XQHKEYJVSA-N 1 1 334.338 0.935 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)s1 ZINC001008371501 753668993 /nfs/dbraw/zinc/66/89/93/753668993.db2.gz IQFHXWXUWNQODG-GXFFZTMASA-N 1 1 333.417 0.382 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)s1 ZINC001008371501 753669001 /nfs/dbraw/zinc/66/90/01/753669001.db2.gz IQFHXWXUWNQODG-GXFFZTMASA-N 1 1 333.417 0.382 20 30 ECEDMO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001059969954 753681500 /nfs/dbraw/zinc/68/15/00/753681500.db2.gz RUMABYQSQIZAQA-CVEARBPZSA-N 1 1 337.464 0.886 20 30 ECEDMO C=C(Cl)CNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372775 753684711 /nfs/dbraw/zinc/68/47/11/753684711.db2.gz WYFMLEWVCYZLNU-GFCCVEGCSA-N 1 1 338.843 0.455 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)nn1 ZINC001098682930 753686144 /nfs/dbraw/zinc/68/61/44/753686144.db2.gz KMRQQIYLKISNPO-QEJZJMRPSA-N 1 1 335.408 0.131 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)nn1 ZINC001098682995 753692255 /nfs/dbraw/zinc/69/22/55/753692255.db2.gz MOKFJBYSELEAGG-CYBMUJFWSA-N 1 1 345.407 0.768 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)nn1 ZINC001098683071 753693305 /nfs/dbraw/zinc/69/33/05/753693305.db2.gz PEHJLZFUZRDDNX-CYBMUJFWSA-N 1 1 329.364 0.137 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001083368063 753701978 /nfs/dbraw/zinc/70/19/78/753701978.db2.gz BQVFNXKPJFHPMO-IKGGRYGDSA-N 1 1 328.416 0.314 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)no1 ZINC001083371804 753711407 /nfs/dbraw/zinc/71/14/07/753711407.db2.gz LLMGWQBBWGYILR-SJORKVTESA-N 1 1 340.383 0.759 20 30 ECEDMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)no1 ZINC001083371804 753711414 /nfs/dbraw/zinc/71/14/14/753711414.db2.gz LLMGWQBBWGYILR-SJORKVTESA-N 1 1 340.383 0.759 20 30 ECEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001028593764 753764131 /nfs/dbraw/zinc/76/41/31/753764131.db2.gz SZEBNFJPMIMARK-ZBFHGGJFSA-N 1 1 330.432 0.957 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC001008471463 753775476 /nfs/dbraw/zinc/77/54/76/753775476.db2.gz ZRPHSAYMPZKBFQ-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)c1 ZINC001008471463 753775482 /nfs/dbraw/zinc/77/54/82/753775482.db2.gz ZRPHSAYMPZKBFQ-XJKSGUPXSA-N 1 1 328.416 0.734 20 30 ECEDMO Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392538 753793376 /nfs/dbraw/zinc/79/33/76/753793376.db2.gz NSGRGAKQJCTMHH-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392538 753793380 /nfs/dbraw/zinc/79/33/80/753793380.db2.gz NSGRGAKQJCTMHH-CVEARBPZSA-N 1 1 325.372 0.565 20 30 ECEDMO N#Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC001051509382 762245844 /nfs/dbraw/zinc/24/58/44/762245844.db2.gz LVJZYBYRSTYLMT-KRWDZBQOSA-N 1 1 339.399 0.841 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@@]2(C)C1 ZINC000982816832 753840562 /nfs/dbraw/zinc/84/05/62/753840562.db2.gz LNMOKZGJYRVIOX-YTQUADARSA-N 1 1 349.475 0.980 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001028601049 753876761 /nfs/dbraw/zinc/87/67/61/753876761.db2.gz HWWZKVJZCITOEP-RDJZCZTQSA-N 1 1 346.475 0.143 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)nc2)O1 ZINC001105602130 754028523 /nfs/dbraw/zinc/02/85/23/754028523.db2.gz JAKKATXTCIEZEN-CZUORRHYSA-N 1 1 331.420 0.567 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)nc2)O1 ZINC001105602130 754028535 /nfs/dbraw/zinc/02/85/35/754028535.db2.gz JAKKATXTCIEZEN-CZUORRHYSA-N 1 1 331.420 0.567 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nonc3C)C[C@@H]2C)nn1 ZINC000989537446 754082579 /nfs/dbraw/zinc/08/25/79/754082579.db2.gz UROQOSGALUTPIE-CMPLNLGQSA-N 1 1 331.380 0.548 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCN(C)c2ncc(C#N)cc2F)O1 ZINC001105602610 754085064 /nfs/dbraw/zinc/08/50/64/754085064.db2.gz KKLZMRZNMUJRFB-IUODEOHRSA-N 1 1 349.410 0.706 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCN(C)c2ncc(C#N)cc2F)O1 ZINC001105602610 754085069 /nfs/dbraw/zinc/08/50/69/754085069.db2.gz KKLZMRZNMUJRFB-IUODEOHRSA-N 1 1 349.410 0.706 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001008785859 754116085 /nfs/dbraw/zinc/11/60/85/754116085.db2.gz ACKXXKHCZULYPH-DOTOQJQBSA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001008785859 754116092 /nfs/dbraw/zinc/11/60/92/754116092.db2.gz ACKXXKHCZULYPH-DOTOQJQBSA-N 1 1 341.411 0.781 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001008813491 754146012 /nfs/dbraw/zinc/14/60/12/754146012.db2.gz GCIHELUUGBWWRT-UKRRQHHQSA-N 1 1 346.435 0.327 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001008813491 754146019 /nfs/dbraw/zinc/14/60/19/754146019.db2.gz GCIHELUUGBWWRT-UKRRQHHQSA-N 1 1 346.435 0.327 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cccn2C)C1 ZINC000982920608 754198871 /nfs/dbraw/zinc/19/88/71/754198871.db2.gz DNNXGAIHTAMEHG-WBVHZDCISA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cccn2C)C1 ZINC000982920608 754198878 /nfs/dbraw/zinc/19/88/78/754198878.db2.gz DNNXGAIHTAMEHG-WBVHZDCISA-N 1 1 342.443 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC000982922197 754201984 /nfs/dbraw/zinc/20/19/84/754201984.db2.gz KRKGFUKWTBKZIV-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC000982922197 754201989 /nfs/dbraw/zinc/20/19/89/754201989.db2.gz KRKGFUKWTBKZIV-ZBFHGGJFSA-N 1 1 343.431 0.096 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccncc2)C1 ZINC000982923471 754210394 /nfs/dbraw/zinc/21/03/94/754210394.db2.gz PJMOXGOMYJZDDW-RDJZCZTQSA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ccncc2)C1 ZINC000982923471 754210400 /nfs/dbraw/zinc/21/04/00/754210400.db2.gz PJMOXGOMYJZDDW-RDJZCZTQSA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CCCN(CCn3cccn3)CC2)CC1 ZINC000989735290 754371906 /nfs/dbraw/zinc/37/19/06/754371906.db2.gz XAVNLHVOEOFJHU-UHFFFAOYSA-N 1 1 343.475 0.763 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001028658799 754372691 /nfs/dbraw/zinc/37/26/91/754372691.db2.gz HMCLDTNZQKDBLA-LLVKDONJSA-N 1 1 325.390 0.002 20 30 ECEDMO CC[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261833494 754417807 /nfs/dbraw/zinc/41/78/07/754417807.db2.gz VPSWUEMLIAQWLA-KFWWJZLASA-N 1 1 325.501 0.601 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105377124 754468306 /nfs/dbraw/zinc/46/83/06/754468306.db2.gz RAYXJIOCOFXHME-OAHLLOKOSA-N 1 1 331.424 0.149 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)C1 ZINC001009059865 754493147 /nfs/dbraw/zinc/49/31/47/754493147.db2.gz AUJJBLZMRAURJF-NGFQHRJXSA-N 1 1 341.415 0.272 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN(CCOC)c1ccc(C#N)nn1 ZINC001126403868 754531112 /nfs/dbraw/zinc/53/11/12/754531112.db2.gz SAHINUFFAGNZJF-UHFFFAOYSA-N 1 1 334.424 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](N2C(=O)NC3(CCC(C(=O)OC)CC3)C2=O)C1 ZINC000925326462 754565643 /nfs/dbraw/zinc/56/56/43/754565643.db2.gz QPSIKSCMKRZQIM-FVRSWCFKSA-N 1 1 347.415 0.738 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](N2C(=O)NC3(CCC(C(=O)OC)CC3)C2=O)C1 ZINC000925326462 754565646 /nfs/dbraw/zinc/56/56/46/754565646.db2.gz QPSIKSCMKRZQIM-FVRSWCFKSA-N 1 1 347.415 0.738 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001105873023 762318651 /nfs/dbraw/zinc/31/86/51/762318651.db2.gz IBVGNWLVQJUCCP-JSGCOSHPSA-N 1 1 332.408 0.112 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001105873826 762322627 /nfs/dbraw/zinc/32/26/27/762322627.db2.gz WEVXXIPBADDNQB-ZFWWWQNUSA-N 1 1 349.410 0.856 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3nccnc3C#N)C2)C1 ZINC001060006851 754680975 /nfs/dbraw/zinc/68/09/75/754680975.db2.gz GRXKYUBEKCCUNQ-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3nccnc3C#N)C2)C1 ZINC001060006851 754680980 /nfs/dbraw/zinc/68/09/80/754680980.db2.gz GRXKYUBEKCCUNQ-DZGCQCFKSA-N 1 1 344.419 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC001009275018 754732163 /nfs/dbraw/zinc/73/21/63/754732163.db2.gz LBRUARGNEOODDI-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCN(C)C3=O)C2)cn1 ZINC001009275018 754732167 /nfs/dbraw/zinc/73/21/67/754732167.db2.gz LBRUARGNEOODDI-IRXDYDNUSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC001009275017 754732266 /nfs/dbraw/zinc/73/22/66/754732266.db2.gz LBRUARGNEOODDI-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCN(C)C3=O)C2)cn1 ZINC001009275017 754732268 /nfs/dbraw/zinc/73/22/68/754732268.db2.gz LBRUARGNEOODDI-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001105874053 762332500 /nfs/dbraw/zinc/33/25/00/762332500.db2.gz ZDMKKQMHFFBJSM-HUUCEWRRSA-N 1 1 331.420 0.717 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001028712045 754794073 /nfs/dbraw/zinc/79/40/73/754794073.db2.gz CIBKRXPPHJTZGL-CYBMUJFWSA-N 1 1 327.392 0.685 20 30 ECEDMO COc1cc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)on1 ZINC001051556796 762334453 /nfs/dbraw/zinc/33/44/53/762334453.db2.gz ZJQWBUVFPMRQLK-ZDUSSCGKSA-N 1 1 345.359 0.514 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001009408999 754854646 /nfs/dbraw/zinc/85/46/46/754854646.db2.gz JIYYHKLDYACZGS-GJZGRUSLSA-N 1 1 344.415 0.768 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001009408999 754854649 /nfs/dbraw/zinc/85/46/49/754854649.db2.gz JIYYHKLDYACZGS-GJZGRUSLSA-N 1 1 344.415 0.768 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001009418135 754865642 /nfs/dbraw/zinc/86/56/42/754865642.db2.gz LZPJMSLJTUGVJT-ZDUSSCGKSA-N 1 1 336.436 0.864 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990252884 754880098 /nfs/dbraw/zinc/88/00/98/754880098.db2.gz RONBAKZQMCBDNX-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cc1 ZINC001028733414 754905200 /nfs/dbraw/zinc/90/52/00/754905200.db2.gz XEZYUUHTWOSQCV-HOCLYGCPSA-N 1 1 339.395 0.525 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000983224984 754912332 /nfs/dbraw/zinc/91/23/32/754912332.db2.gz XCBSSVUMRQRYKR-RYUDHWBXSA-N 1 1 333.392 0.474 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2nc(C)cc(OC)n2)C1 ZINC001059106473 754954570 /nfs/dbraw/zinc/95/45/70/754954570.db2.gz WXUUIAMZTNFGQQ-GJZGRUSLSA-N 1 1 343.431 0.904 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2nc(C)cc(OC)n2)C1 ZINC001059106473 754954573 /nfs/dbraw/zinc/95/45/73/754954573.db2.gz WXUUIAMZTNFGQQ-GJZGRUSLSA-N 1 1 343.431 0.904 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCOC(C)C)C1 ZINC001111607642 762351890 /nfs/dbraw/zinc/35/18/90/762351890.db2.gz VGJVFPHSZAHDLJ-BXWFABGCSA-N 1 1 349.475 0.910 20 30 ECEDMO O=C(NC[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001028774461 755064997 /nfs/dbraw/zinc/06/49/97/755064997.db2.gz XDAPQDNQRQSANL-HOCLYGCPSA-N 1 1 344.390 0.297 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c[nH]nc3CC)C2)nn1 ZINC001098688797 755069155 /nfs/dbraw/zinc/06/91/55/755069155.db2.gz YTQDKFFUNUTIPT-CYBMUJFWSA-N 1 1 329.408 0.926 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CNc3ccc(C#N)nn3)C2)C1 ZINC001060034096 755158686 /nfs/dbraw/zinc/15/86/86/755158686.db2.gz AGEXBNSSAGWULQ-KGLIPLIRSA-N 1 1 328.420 0.950 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001028802739 755169244 /nfs/dbraw/zinc/16/92/44/755169244.db2.gz TUOUPHFJVPAMDV-CQSZACIVSA-N 1 1 330.432 0.598 20 30 ECEDMO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3[nH]nnc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105647616 755173685 /nfs/dbraw/zinc/17/36/85/755173685.db2.gz SJZZUNRUKXKKPK-AHEZYBDSSA-N 1 1 345.447 0.716 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC000938154397 755196293 /nfs/dbraw/zinc/19/62/93/755196293.db2.gz FWTBWAIERRJLRO-IHRRRGAJSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC000938154397 755196298 /nfs/dbraw/zinc/19/62/98/755196298.db2.gz FWTBWAIERRJLRO-IHRRRGAJSA-N 1 1 339.386 0.846 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccnn3C)C2)nn1 ZINC001028850981 755308074 /nfs/dbraw/zinc/30/80/74/755308074.db2.gz DAHPRCRFHWMZAO-AWEZNQCLSA-N 1 1 343.435 0.492 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nccn3C)C2)nn1 ZINC001028851588 755308995 /nfs/dbraw/zinc/30/89/95/755308995.db2.gz RIRJHQOFMKRCFB-CYBMUJFWSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nccn3C)C2)nn1 ZINC001028851588 755308999 /nfs/dbraw/zinc/30/89/99/755308999.db2.gz RIRJHQOFMKRCFB-CYBMUJFWSA-N 1 1 329.408 0.450 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cncn3C)C2)nn1 ZINC001028854892 755317674 /nfs/dbraw/zinc/31/76/74/755317674.db2.gz OPKPDBOTMHHOCL-CQSZACIVSA-N 1 1 343.435 0.840 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4coc(C)n4)[C@@H]3C2)C1=O ZINC001075723476 755339971 /nfs/dbraw/zinc/33/99/71/755339971.db2.gz RAENIUTYKOUAMI-NUEKZKHPSA-N 1 1 344.415 0.916 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001028899780 755434001 /nfs/dbraw/zinc/43/40/01/755434001.db2.gz OODRMZZHKZAICC-GJZGRUSLSA-N 1 1 331.420 0.390 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001028918632 755477286 /nfs/dbraw/zinc/47/72/86/755477286.db2.gz JZKMXGJMLALWSF-ZDUSSCGKSA-N 1 1 329.400 0.935 20 30 ECEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001028919537 755479891 /nfs/dbraw/zinc/47/98/91/755479891.db2.gz ZYIAOPAQDMISKX-UONOGXRCSA-N 1 1 346.431 0.833 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)[C@@H]2C1 ZINC001075964753 755491145 /nfs/dbraw/zinc/49/11/45/755491145.db2.gz ITWBHGQTPPEKTJ-BFHYXJOUSA-N 1 1 331.420 0.655 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)[C@@H](O)C2)cc1 ZINC001083475945 755601730 /nfs/dbraw/zinc/60/17/30/755601730.db2.gz KVSOKKVTAJEXEG-DFGXFYAUSA-N 1 1 327.384 0.256 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)[C@@H](O)C2)cc1 ZINC001083475945 755601734 /nfs/dbraw/zinc/60/17/34/755601734.db2.gz KVSOKKVTAJEXEG-DFGXFYAUSA-N 1 1 327.384 0.256 20 30 ECEDMO Cc1nn2c(nc(C[NH2+]CCNC(=O)C#CC(C)C)cc2=O)s1 ZINC001126834181 755613578 /nfs/dbraw/zinc/61/35/78/755613578.db2.gz LXDYFNIRKJWXTO-UHFFFAOYSA-N 1 1 333.417 0.325 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001040284885 755626737 /nfs/dbraw/zinc/62/67/37/755626737.db2.gz YVDUAOAECSOVHW-NVXWUHKLSA-N 1 1 338.473 0.759 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001083483378 755639939 /nfs/dbraw/zinc/63/99/39/755639939.db2.gz SVCKBKLREKGPAF-KFWWJZLASA-N 1 1 335.448 0.208 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001083483378 755639941 /nfs/dbraw/zinc/63/99/41/755639941.db2.gz SVCKBKLREKGPAF-KFWWJZLASA-N 1 1 335.448 0.208 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001060063330 755689349 /nfs/dbraw/zinc/68/93/49/755689349.db2.gz JBADUPRZQNHUPP-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001060063330 755689352 /nfs/dbraw/zinc/68/93/52/755689352.db2.gz JBADUPRZQNHUPP-GJZGRUSLSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](O)C1 ZINC001083504820 755765766 /nfs/dbraw/zinc/76/57/66/755765766.db2.gz QNXDDEJWSUPBLJ-KFWWJZLASA-N 1 1 337.464 0.761 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(C)nc3)C2)C1=O ZINC001010217617 755830055 /nfs/dbraw/zinc/83/00/55/755830055.db2.gz JEHLDEOUQHGURE-HZPDHXFCSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C)nc3)C2)C1=O ZINC001010217617 755830059 /nfs/dbraw/zinc/83/00/59/755830059.db2.gz JEHLDEOUQHGURE-HZPDHXFCSA-N 1 1 328.416 0.981 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)cc1 ZINC001010249823 755880908 /nfs/dbraw/zinc/88/09/08/755880908.db2.gz CVPXTGXXKSRRSZ-RDJZCZTQSA-N 1 1 345.399 0.695 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC(F)(F)F)c2)[C@@H](O)C1 ZINC001083527554 755932570 /nfs/dbraw/zinc/93/25/70/755932570.db2.gz ZGBWNUMRKBYZNC-NEPJUHHUSA-N 1 1 330.310 0.244 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@@H]1O ZINC001083535974 755976246 /nfs/dbraw/zinc/97/62/46/755976246.db2.gz XHRVUBZFGYYZSE-IKGGRYGDSA-N 1 1 347.484 0.815 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2csc(C)c2)C[C@@H]1O ZINC001083535974 755976249 /nfs/dbraw/zinc/97/62/49/755976249.db2.gz XHRVUBZFGYYZSE-IKGGRYGDSA-N 1 1 347.484 0.815 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C)n2C)CC1 ZINC001010339551 756021941 /nfs/dbraw/zinc/02/19/41/756021941.db2.gz SUXFYHZUAXDDSV-KRWDZBQOSA-N 1 1 342.443 0.716 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(C)n2C)CC1 ZINC001010339551 756021948 /nfs/dbraw/zinc/02/19/48/756021948.db2.gz SUXFYHZUAXDDSV-KRWDZBQOSA-N 1 1 342.443 0.716 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083539508 756029807 /nfs/dbraw/zinc/02/98/07/756029807.db2.gz BKRATXVXZHOEEU-XMTFNYHQSA-N 1 1 346.427 0.881 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076076169 756062046 /nfs/dbraw/zinc/06/20/46/756062046.db2.gz DGDYLKNYMVBGGJ-SWLSCSKDSA-N 1 1 347.419 0.232 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076076169 756062053 /nfs/dbraw/zinc/06/20/53/756062053.db2.gz DGDYLKNYMVBGGJ-SWLSCSKDSA-N 1 1 347.419 0.232 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010381205 756062781 /nfs/dbraw/zinc/06/27/81/756062781.db2.gz MVSFTPGLTSFURW-LSDHHAIUSA-N 1 1 342.399 0.536 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001010381205 756062784 /nfs/dbraw/zinc/06/27/84/756062784.db2.gz MVSFTPGLTSFURW-LSDHHAIUSA-N 1 1 342.399 0.536 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 ZINC001076084617 756064354 /nfs/dbraw/zinc/06/43/54/756064354.db2.gz BNIGGXWMWOYFCZ-XJKSGUPXSA-N 1 1 339.403 0.780 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC001010415244 756102308 /nfs/dbraw/zinc/10/23/08/756102308.db2.gz UIEJFMVSUMVAQH-IRXDYDNUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC001010415244 756102314 /nfs/dbraw/zinc/10/23/14/756102314.db2.gz UIEJFMVSUMVAQH-IRXDYDNUSA-N 1 1 347.459 0.714 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnccc3C)C2)C1=O ZINC001010425699 756120619 /nfs/dbraw/zinc/12/06/19/756120619.db2.gz BKZMYIYXIDIZNH-GOEBONIOSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnccc3C)C2)C1=O ZINC001010425699 756120622 /nfs/dbraw/zinc/12/06/22/756120622.db2.gz BKZMYIYXIDIZNH-GOEBONIOSA-N 1 1 328.416 0.981 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@](C)(O)C1CC1 ZINC001076192801 756184866 /nfs/dbraw/zinc/18/48/66/756184866.db2.gz SSXCCUGAAQSLCD-URLQWDBASA-N 1 1 349.475 0.646 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@](C)(O)C1CC1 ZINC001076192801 756184869 /nfs/dbraw/zinc/18/48/69/756184869.db2.gz SSXCCUGAAQSLCD-URLQWDBASA-N 1 1 349.475 0.646 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 ZINC001076238132 756259886 /nfs/dbraw/zinc/25/98/86/756259886.db2.gz SDQUZCCHSAULGB-XUWVNRHRSA-N 1 1 335.448 0.731 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnnc(C)c1 ZINC001076282935 756320268 /nfs/dbraw/zinc/32/02/68/756320268.db2.gz ODLFCSAKOSBUTM-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnnc(C)c1 ZINC001076282935 756320276 /nfs/dbraw/zinc/32/02/76/756320276.db2.gz ODLFCSAKOSBUTM-BBRMVZONSA-N 1 1 343.431 0.507 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12 ZINC000991651439 762461074 /nfs/dbraw/zinc/46/10/74/762461074.db2.gz CSCRVNTXZGFHGM-CXAGYDPISA-N 1 1 332.404 0.638 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nccn1CC ZINC001076322618 756371568 /nfs/dbraw/zinc/37/15/68/756371568.db2.gz FXAMNYLPMKAWBE-GJZGRUSLSA-N 1 1 345.447 0.625 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nccn1CC ZINC001076322618 756371572 /nfs/dbraw/zinc/37/15/72/756371572.db2.gz FXAMNYLPMKAWBE-GJZGRUSLSA-N 1 1 345.447 0.625 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001076350518 756402995 /nfs/dbraw/zinc/40/29/95/756402995.db2.gz ADPKKYLUKYNAIQ-MJBXVCDLSA-N 1 1 327.450 0.129 20 30 ECEDMO N#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CCCC(N)=O)CC1 ZINC001105680603 756455323 /nfs/dbraw/zinc/45/53/23/756455323.db2.gz GNIPAQLDBIPWID-IYBDPMFKSA-N 1 1 347.463 0.305 20 30 ECEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076438545 756515852 /nfs/dbraw/zinc/51/58/52/756515852.db2.gz FTGAQKGEBGQUOI-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076438545 756515855 /nfs/dbraw/zinc/51/58/55/756515855.db2.gz FTGAQKGEBGQUOI-SOUVJXGZSA-N 1 1 326.462 0.920 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)nc1 ZINC001076476069 756562525 /nfs/dbraw/zinc/56/25/25/756562525.db2.gz UJHFIMUMDVTUKC-CWRNSKLLSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](CC)C(N)=O)C[C@H]32)nc1 ZINC001076476069 756562527 /nfs/dbraw/zinc/56/25/27/756562527.db2.gz UJHFIMUMDVTUKC-CWRNSKLLSA-N 1 1 326.400 0.473 20 30 ECEDMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001010824434 756572032 /nfs/dbraw/zinc/57/20/32/756572032.db2.gz SYZCDSMGQFGRCZ-AWEZNQCLSA-N 1 1 340.387 0.722 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001010875639 756629345 /nfs/dbraw/zinc/62/93/45/756629345.db2.gz IQFNPIRPBOPVJX-INIZCTEOSA-N 1 1 346.431 0.289 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001010875639 756629348 /nfs/dbraw/zinc/62/93/48/756629348.db2.gz IQFNPIRPBOPVJX-INIZCTEOSA-N 1 1 346.431 0.289 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)[C@@H]2C1 ZINC001076555186 756638012 /nfs/dbraw/zinc/63/80/12/756638012.db2.gz ANUFXDIVTRYSCU-YQQAZPJKSA-N 1 1 329.444 0.943 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1 ZINC001076568909 756668860 /nfs/dbraw/zinc/66/88/60/756668860.db2.gz CBUJXWBJIRGYSV-UONOGXRCSA-N 1 1 326.404 0.776 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1 ZINC001076568939 756669912 /nfs/dbraw/zinc/66/99/12/756669912.db2.gz DGMXUOHZEFDAIV-QWHCGFSZSA-N 1 1 346.822 0.952 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1 ZINC001076568939 756669916 /nfs/dbraw/zinc/66/99/16/756669916.db2.gz DGMXUOHZEFDAIV-QWHCGFSZSA-N 1 1 346.822 0.952 20 30 ECEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990892286 756710357 /nfs/dbraw/zinc/71/03/57/756710357.db2.gz JVKHSHCAJADVDN-TXEJJXNPSA-N 1 1 329.404 0.700 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001010979417 756721727 /nfs/dbraw/zinc/72/17/27/756721727.db2.gz VMKWYGQOJIYMPQ-DTDBQYNISA-N 1 1 332.448 0.795 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4ccnc4)[C@@H]3C2)C1=O ZINC001076633264 756762868 /nfs/dbraw/zinc/76/28/68/756762868.db2.gz GGJNKJVYQXCPEK-ARFHVFGLSA-N 1 1 343.431 0.203 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011019594 756772646 /nfs/dbraw/zinc/77/26/46/756772646.db2.gz CJYIBHVRWYKSGS-TZMCWYRMSA-N 1 1 329.404 0.368 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ccnc(C#N)n2)C1 ZINC001060129180 756803799 /nfs/dbraw/zinc/80/37/99/756803799.db2.gz JXPVVWDGTNMFJP-KGLIPLIRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ccnc(C#N)n2)C1 ZINC001060129180 756803804 /nfs/dbraw/zinc/80/38/04/756803804.db2.gz JXPVVWDGTNMFJP-KGLIPLIRSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2nccnc2C#N)C1 ZINC001060128939 756809190 /nfs/dbraw/zinc/80/91/90/756809190.db2.gz CBZVNILKCJARIQ-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2nccnc2C#N)C1 ZINC001060128939 756809195 /nfs/dbraw/zinc/80/91/95/756809195.db2.gz CBZVNILKCJARIQ-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)c[nH]1 ZINC000990930755 756879404 /nfs/dbraw/zinc/87/94/04/756879404.db2.gz KALHIQALXYLASP-KRWDZBQOSA-N 1 1 327.388 0.313 20 30 ECEDMO N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)c[nH]1 ZINC000990935786 756914733 /nfs/dbraw/zinc/91/47/33/756914733.db2.gz PIBNREBPAUKLQE-CJNGLKHVSA-N 1 1 341.415 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4ccoc4)C[C@H]3C2)C1=O ZINC001048783396 756980913 /nfs/dbraw/zinc/98/09/13/756980913.db2.gz NDBDANOBBSVUIM-BBWFWOEESA-N 1 1 343.427 0.999 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4ccoc4)C[C@H]3C2)C1=O ZINC001048783397 756981417 /nfs/dbraw/zinc/98/14/17/756981417.db2.gz NDBDANOBBSVUIM-IXDOHACOSA-N 1 1 343.427 0.999 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](OC)C4CC4)C[C@H]3C2)C1=O ZINC001048792582 757012006 /nfs/dbraw/zinc/01/20/06/757012006.db2.gz AMTNQZICIDGORQ-YYIAUSFCSA-N 1 1 347.459 0.589 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)CC(C)(C)O)C[C@H]3C2)C1=O ZINC001048795452 757020386 /nfs/dbraw/zinc/02/03/86/757020386.db2.gz UDWLDHKMZTYMQD-QLFBSQMISA-N 1 1 335.448 0.325 20 30 ECEDMO CC#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001076770122 757032430 /nfs/dbraw/zinc/03/24/30/757032430.db2.gz HTNQFPUCEFWRLA-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO CC#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001076770122 757032437 /nfs/dbraw/zinc/03/24/37/757032437.db2.gz HTNQFPUCEFWRLA-HOTGVXAUSA-N 1 1 337.464 0.912 20 30 ECEDMO C=CCOCC(=O)NCc1cn(C2C[NH+](C[C@@H](CC)OC)C2)nn1 ZINC001107146673 757039958 /nfs/dbraw/zinc/03/99/58/757039958.db2.gz ODWOJWGFBBKQPF-OAHLLOKOSA-N 1 1 337.424 0.379 20 30 ECEDMO COCCCCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 ZINC001107149602 757051758 /nfs/dbraw/zinc/05/17/58/757051758.db2.gz KJNBUPGOVKBEHF-CYBMUJFWSA-N 1 1 334.424 0.727 20 30 ECEDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048811002 757070378 /nfs/dbraw/zinc/07/03/78/757070378.db2.gz XQAFFSRAROTPJC-OKILXGFUSA-N 1 1 343.387 0.632 20 30 ECEDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048811002 757070387 /nfs/dbraw/zinc/07/03/87/757070387.db2.gz XQAFFSRAROTPJC-OKILXGFUSA-N 1 1 343.387 0.632 20 30 ECEDMO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001048813119 757075188 /nfs/dbraw/zinc/07/51/88/757075188.db2.gz FUERQYZDQJXOEC-YESZJQIVSA-N 1 1 329.444 0.706 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)s1 ZINC001048821788 757107546 /nfs/dbraw/zinc/10/75/46/757107546.db2.gz CYRZTGOJXICKCZ-TXEJJXNPSA-N 1 1 343.416 0.197 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001048825657 757120252 /nfs/dbraw/zinc/12/02/52/757120252.db2.gz CCIBFBWWXFUDTR-ALYAQQCSSA-N 1 1 347.459 0.589 20 30 ECEDMO C=CCCCCC[NH+]1CC(n2cc(CNC(=O)CC(=O)NC)nn2)C1 ZINC001107163855 757196963 /nfs/dbraw/zinc/19/69/63/757196963.db2.gz FCSMTVUTZCXJCN-UHFFFAOYSA-N 1 1 348.451 0.634 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CCCOCC)C2)nn1 ZINC001107169346 757205071 /nfs/dbraw/zinc/20/50/71/757205071.db2.gz CWBRIEDCBGENFW-CQSZACIVSA-N 1 1 349.435 0.216 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3cn(C)nn3)C(C)(C)C2)c1 ZINC000996273756 757223289 /nfs/dbraw/zinc/22/32/89/757223289.db2.gz LEKMCFWGSSLHIR-INIZCTEOSA-N 1 1 338.415 0.832 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3cccc4c3NC(=O)CO4)C[C@H]2C1 ZINC001048867916 757232360 /nfs/dbraw/zinc/23/23/60/757232360.db2.gz KKVVJARGPWYJPZ-BETUJISGSA-N 1 1 325.368 0.655 20 30 ECEDMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001048874333 757253683 /nfs/dbraw/zinc/25/36/83/757253683.db2.gz WYNZDBDSNFTKIF-KKUMJFAQSA-N 1 1 335.448 0.018 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076812605 757257959 /nfs/dbraw/zinc/25/79/59/757257959.db2.gz NCAJQBYOVVZBNO-KZNAEPCWSA-N 1 1 345.418 0.433 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051637677 762538776 /nfs/dbraw/zinc/53/87/76/762538776.db2.gz MLDIIFAOSAMHNJ-LLVKDONJSA-N 1 1 342.831 0.306 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C[C@H]2C1 ZINC001048898441 757335693 /nfs/dbraw/zinc/33/56/93/757335693.db2.gz BHYIMYMPJZVMNL-MCIONIFRSA-N 1 1 331.420 0.512 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(=O)[nH]3)C2)cc1 ZINC001076842129 757351584 /nfs/dbraw/zinc/35/15/84/757351584.db2.gz FAIXRRAAZFQQAY-HZPDHXFCSA-N 1 1 338.367 0.634 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(=O)[nH]3)C2)cc1 ZINC001076842129 757351592 /nfs/dbraw/zinc/35/15/92/757351592.db2.gz FAIXRRAAZFQQAY-HZPDHXFCSA-N 1 1 338.367 0.634 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnsn2)C1=O ZINC001032297393 757424996 /nfs/dbraw/zinc/42/49/96/757424996.db2.gz YRTAYZDIWNYNIO-GMXVVIOVSA-N 1 1 333.417 0.224 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnsn2)C1=O ZINC001032297393 757425008 /nfs/dbraw/zinc/42/50/08/757425008.db2.gz YRTAYZDIWNYNIO-GMXVVIOVSA-N 1 1 333.417 0.224 20 30 ECEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 ZINC001048940351 757472438 /nfs/dbraw/zinc/47/24/38/757472438.db2.gz JARKTEDQYZOUML-QXSJWSMHSA-N 1 1 335.448 0.766 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](C)O)CC1 ZINC001021469582 757484307 /nfs/dbraw/zinc/48/43/07/757484307.db2.gz HLAABYPPQFGDII-MIGBEJBISA-N 1 1 333.476 0.824 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(C)CCOCC2)CC1 ZINC001011314186 757487380 /nfs/dbraw/zinc/48/73/80/757487380.db2.gz GYFLVCAUXTVIOM-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(C)CCOCC2)CC1 ZINC001011314186 757487387 /nfs/dbraw/zinc/48/73/87/757487387.db2.gz GYFLVCAUXTVIOM-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]c(C)nc2C)CC1 ZINC001011314742 757489609 /nfs/dbraw/zinc/48/96/09/757489609.db2.gz IJMUGNAEDNGPCO-HNNXBMFYSA-N 1 1 343.431 0.409 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]c(C)nc2C)CC1 ZINC001011314742 757489614 /nfs/dbraw/zinc/48/96/14/757489614.db2.gz IJMUGNAEDNGPCO-HNNXBMFYSA-N 1 1 343.431 0.409 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001011315072 757491651 /nfs/dbraw/zinc/49/16/51/757491651.db2.gz XPOLLEWYWWUQGN-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(Cn4ccnn4)o3)C[C@H]2C1 ZINC001048953672 757502112 /nfs/dbraw/zinc/50/21/12/757502112.db2.gz FGBINKNOYSNWEM-GASCZTMLSA-N 1 1 339.399 0.947 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C[C@H]2C1 ZINC001048960722 757522696 /nfs/dbraw/zinc/52/26/96/757522696.db2.gz KCJOXKFCZCJTSC-OTWHNJEPSA-N 1 1 345.487 0.901 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048977838 757585079 /nfs/dbraw/zinc/58/50/79/757585079.db2.gz NCNHHYWPUMHTNO-BBWFWOEESA-N 1 1 338.411 0.585 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000996438162 757599994 /nfs/dbraw/zinc/59/99/94/757599994.db2.gz XVRWYEHUQBTLCX-CYBMUJFWSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3C3CCCC3)C[C@H]2C1 ZINC001049003339 757662053 /nfs/dbraw/zinc/66/20/53/757662053.db2.gz IPOQSABDQPVVIW-SOLBZPMBSA-N 1 1 331.460 0.653 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000996433523 757664162 /nfs/dbraw/zinc/66/41/62/757664162.db2.gz AGJKMQPCHYEITB-AWEZNQCLSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)C[C@@H](C)CC)C[C@@H]1O ZINC001049019119 757708762 /nfs/dbraw/zinc/70/87/62/757708762.db2.gz FOEQXECPKFCGPI-QAETUUGQSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)C[C@@H](C)CC)C[C@@H]1O ZINC001049019119 757708766 /nfs/dbraw/zinc/70/87/66/757708766.db2.gz FOEQXECPKFCGPI-QAETUUGQSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CCC(=C)C)C[C@@H]1O ZINC001049019734 757714105 /nfs/dbraw/zinc/71/41/05/757714105.db2.gz RFGOAWSLMOQOPU-ULQDDVLXSA-N 1 1 347.459 0.470 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CCC(=C)C)C[C@@H]1O ZINC001049019734 757714109 /nfs/dbraw/zinc/71/41/09/757714109.db2.gz RFGOAWSLMOQOPU-ULQDDVLXSA-N 1 1 347.459 0.470 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4n[nH]cc4F)C[C@H]3C2)C1=O ZINC001049039142 757756173 /nfs/dbraw/zinc/75/61/73/757756173.db2.gz RQSBZQFQVGVQKC-SCRDCRAPSA-N 1 1 347.394 0.340 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001049048155 757775772 /nfs/dbraw/zinc/77/57/72/757775772.db2.gz IUYQDUUUMRDNDD-IKGGRYGDSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001049048156 757776994 /nfs/dbraw/zinc/77/69/94/757776994.db2.gz IUYQDUUUMRDNDD-ULQDDVLXSA-N 1 1 349.475 0.694 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(=O)n(CC)n2)C1 ZINC001021691880 757790457 /nfs/dbraw/zinc/79/04/57/757790457.db2.gz SBEUIEKPOXULKH-GOEBONIOSA-N 1 1 328.416 0.823 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001076982934 757812051 /nfs/dbraw/zinc/81/20/51/757812051.db2.gz RFJBGYSTKRWOFI-ZIAGYGMSSA-N 1 1 328.372 0.478 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cnccc2=O)C1 ZINC001021704378 757826626 /nfs/dbraw/zinc/82/66/26/757826626.db2.gz SCGZLOACMUPOSH-SJORKVTESA-N 1 1 342.443 0.970 20 30 ECEDMO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(=O)NC2=O)C1 ZINC001021709582 757839366 /nfs/dbraw/zinc/83/93/66/757839366.db2.gz CGWCVNXQFFQMSD-GJZGRUSLSA-N 1 1 346.431 0.265 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(=O)NC)CC[C@H]32)nc1 ZINC001021713027 757848784 /nfs/dbraw/zinc/84/87/84/757848784.db2.gz CTUBFIBYVGQFJC-NVXWUHKLSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001021715505 757853580 /nfs/dbraw/zinc/85/35/80/757853580.db2.gz GXYRKHZDKUADHM-JSGCOSHPSA-N 1 1 342.403 0.530 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021714933 757855264 /nfs/dbraw/zinc/85/52/64/757855264.db2.gz YVCWYFBUCNCJKY-HUUCEWRRSA-N 1 1 346.431 0.217 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001076998174 757868367 /nfs/dbraw/zinc/86/83/67/757868367.db2.gz VJCLTUASFUWMAI-IAGOWNOFSA-N 1 1 348.447 0.976 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@H]2C1 ZINC001049069339 757872917 /nfs/dbraw/zinc/87/29/17/757872917.db2.gz CQVIAYKWCUNWJQ-WTTBNOFXSA-N 1 1 347.459 0.589 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncccn3)C[C@@H]2C1 ZINC001049069525 757875189 /nfs/dbraw/zinc/87/51/89/757875189.db2.gz JCMVSGLNVTZHNE-QXSJWSMHSA-N 1 1 328.416 0.958 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncccn3)C[C@@H]2C1 ZINC001049069525 757875195 /nfs/dbraw/zinc/87/51/95/757875195.db2.gz JCMVSGLNVTZHNE-QXSJWSMHSA-N 1 1 328.416 0.958 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CC[C@@H](C)O4)C[C@H]3C2)C1=O ZINC001049072658 757880431 /nfs/dbraw/zinc/88/04/31/757880431.db2.gz JUECCVWUSBDXCL-UHDSXZAQSA-N 1 1 347.459 0.731 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4cnc[nH]4)C[C@H]3C2)C1=O ZINC001049083406 757915361 /nfs/dbraw/zinc/91/53/61/757915361.db2.gz BXDFZDZNKVEJLF-IJEWVQPXSA-N 1 1 343.431 0.129 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001049085141 757919541 /nfs/dbraw/zinc/91/95/41/757919541.db2.gz PAHSYUQDIQETIK-KBMXLJTQSA-N 1 1 348.447 0.824 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001077019806 757951636 /nfs/dbraw/zinc/95/16/36/757951636.db2.gz CTBOUJREVUPHKD-SUMWQHHRSA-N 1 1 325.453 0.809 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CNC(N)=O)CC2(CCOCC2)C1 ZINC001099562040 757996592 /nfs/dbraw/zinc/99/65/92/757996592.db2.gz NCRROIPHCBEYAH-CQSZACIVSA-N 1 1 338.452 0.608 20 30 ECEDMO Cn1ncc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4C#N)C[C@@H]3C2)n1 ZINC001049115485 758005518 /nfs/dbraw/zinc/00/55/18/758005518.db2.gz LCWBJEUYMMOBCX-IYBDPMFKSA-N 1 1 336.399 0.891 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001077046186 758047992 /nfs/dbraw/zinc/04/79/92/758047992.db2.gz GFHPUBSRWBDQIE-GVDBMIGSSA-N 1 1 349.475 0.763 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]2C1 ZINC001049129566 758062371 /nfs/dbraw/zinc/06/23/71/758062371.db2.gz QAYYREXSLQFGHH-BETUJISGSA-N 1 1 330.388 0.152 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(=O)[nH]nc(CC)c2CC)C1 ZINC001077082474 758115306 /nfs/dbraw/zinc/11/53/06/758115306.db2.gz QDNMPDGUPSOUOW-ZIAGYGMSSA-N 1 1 332.404 0.105 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(=O)[nH]nc(CC)c2CC)C1 ZINC001077082474 758115313 /nfs/dbraw/zinc/11/53/13/758115313.db2.gz QDNMPDGUPSOUOW-ZIAGYGMSSA-N 1 1 332.404 0.105 20 30 ECEDMO COCCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001021981111 758126042 /nfs/dbraw/zinc/12/60/42/758126042.db2.gz MLBCXFQQUMRZDT-TXEJJXNPSA-N 1 1 344.375 0.509 20 30 ECEDMO CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107298094 758197195 /nfs/dbraw/zinc/19/71/95/758197195.db2.gz HHPNAGNONRLZNB-CKEIUWERSA-N 1 1 336.436 0.412 20 30 ECEDMO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1C#N ZINC001022063578 758226476 /nfs/dbraw/zinc/22/64/76/758226476.db2.gz DSJNPRPJUBFJRF-LXTVHRRPSA-N 1 1 344.371 0.969 20 30 ECEDMO COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064043 758227619 /nfs/dbraw/zinc/22/76/19/758227619.db2.gz SBGLCSPCJIGGFX-LXTVHRRPSA-N 1 1 344.371 0.969 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)[C@@H](O)C1 ZINC001083564274 758231682 /nfs/dbraw/zinc/23/16/82/758231682.db2.gz VAWIMYYUPBEGPZ-GUTXKFCHSA-N 1 1 334.420 0.195 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)[C@@H](O)C1 ZINC001083564274 758231690 /nfs/dbraw/zinc/23/16/90/758231690.db2.gz VAWIMYYUPBEGPZ-GUTXKFCHSA-N 1 1 334.420 0.195 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)C=C)C1 ZINC001049180838 758241774 /nfs/dbraw/zinc/24/17/74/758241774.db2.gz PSQXEXUEHCTWPW-JYJNAYRXSA-N 1 1 347.459 0.326 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)C=C)C1 ZINC001049180838 758241778 /nfs/dbraw/zinc/24/17/78/758241778.db2.gz PSQXEXUEHCTWPW-JYJNAYRXSA-N 1 1 347.459 0.326 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cc(C)[nH]n1 ZINC001077123721 758250227 /nfs/dbraw/zinc/25/02/27/758250227.db2.gz AEXUXHWASGMSSZ-BBRMVZONSA-N 1 1 345.447 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cc(C)[nH]n1 ZINC001077123721 758250233 /nfs/dbraw/zinc/25/02/33/758250233.db2.gz AEXUXHWASGMSSZ-BBRMVZONSA-N 1 1 345.447 0.369 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cc(C)n[nH]1 ZINC001077123721 758250239 /nfs/dbraw/zinc/25/02/39/758250239.db2.gz AEXUXHWASGMSSZ-BBRMVZONSA-N 1 1 345.447 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1cc(C)n[nH]1 ZINC001077123721 758250246 /nfs/dbraw/zinc/25/02/46/758250246.db2.gz AEXUXHWASGMSSZ-BBRMVZONSA-N 1 1 345.447 0.369 20 30 ECEDMO CC(C)OCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107315156 758250357 /nfs/dbraw/zinc/25/03/57/758250357.db2.gz NLUWNBBURIAXCA-RHSMWYFYSA-N 1 1 336.436 0.412 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CCCO1 ZINC001077124102 758257517 /nfs/dbraw/zinc/25/75/17/758257517.db2.gz MJBOGENPMJBYLD-JYJNAYRXSA-N 1 1 335.448 0.664 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CCCO1 ZINC001077124102 758257522 /nfs/dbraw/zinc/25/75/22/758257522.db2.gz MJBOGENPMJBYLD-JYJNAYRXSA-N 1 1 335.448 0.664 20 30 ECEDMO COC[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107321597 758265543 /nfs/dbraw/zinc/26/55/43/758265543.db2.gz UADQJQYWWQWTAA-JJRVBVJISA-N 1 1 336.436 0.269 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2ccon2)C1 ZINC001051659745 762615894 /nfs/dbraw/zinc/61/58/94/762615894.db2.gz AFTQLNXJTFNXLG-HOTGVXAUSA-N 1 1 332.404 0.089 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCc2ccon2)C1 ZINC001051659745 762615895 /nfs/dbraw/zinc/61/58/95/762615895.db2.gz AFTQLNXJTFNXLG-HOTGVXAUSA-N 1 1 332.404 0.089 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)NCC2=CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001127758314 758354235 /nfs/dbraw/zinc/35/42/35/758354235.db2.gz WFXXNGTXTXSFGB-CQSZACIVSA-N 1 1 340.431 0.943 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)COc3cccc(C(N)=O)c3)C[C@H]2C1 ZINC001049230956 758389784 /nfs/dbraw/zinc/38/97/84/758389784.db2.gz IFTHLCCVTQWDRU-IYBDPMFKSA-N 1 1 341.411 0.578 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001077165307 758395832 /nfs/dbraw/zinc/39/58/32/758395832.db2.gz MJSHZWKGSUYBIR-IIDMSEBBSA-N 1 1 335.448 0.420 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001077165706 758397257 /nfs/dbraw/zinc/39/72/57/758397257.db2.gz XTUSADUUAYZDPD-RBSFLKMASA-N 1 1 331.420 0.183 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001077166920 758399798 /nfs/dbraw/zinc/39/97/98/758399798.db2.gz PKIKDSLFUAOMRF-RRCSTGOVSA-N 1 1 334.420 0.328 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC001077166920 758399808 /nfs/dbraw/zinc/39/98/08/758399808.db2.gz PKIKDSLFUAOMRF-RRCSTGOVSA-N 1 1 334.420 0.328 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC/C=C\CNc2ccnc(C#N)n2)C1 ZINC001107374985 758401189 /nfs/dbraw/zinc/40/11/89/758401189.db2.gz LXTHJSIFITVVKZ-ABCZVMIZSA-N 1 1 342.447 0.832 20 30 ECEDMO CC(C)C[N@H+]1CC[C@@H](C(=O)NC/C=C/CNc2ccnc(C#N)n2)C1 ZINC001107374988 758401304 /nfs/dbraw/zinc/40/13/04/758401304.db2.gz LXTHJSIFITVVKZ-NHZBNJEXSA-N 1 1 342.447 0.832 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cncnc3)CCC[C@@H]12 ZINC001107370034 758413334 /nfs/dbraw/zinc/41/33/34/758413334.db2.gz FICQNGKZSADRMP-RHSMWYFYSA-N 1 1 342.403 0.091 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049251586 758438913 /nfs/dbraw/zinc/43/89/13/758438913.db2.gz FXFPOVOUCMZILV-SDDRHHMPSA-N 1 1 325.796 0.182 20 30 ECEDMO O=C(C#CC1CC1)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107400053 758467632 /nfs/dbraw/zinc/46/76/32/758467632.db2.gz XTGRAWPDJYMCMB-VQIMIIECSA-N 1 1 344.459 0.786 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001049283977 758474919 /nfs/dbraw/zinc/47/49/19/758474919.db2.gz ZFMDATQBYMTZHQ-VGWMRTNUSA-N 1 1 337.464 0.713 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H](O)COC)CC2 ZINC001107404753 758482581 /nfs/dbraw/zinc/48/25/81/758482581.db2.gz LXYPHWUCNJECSF-JFIYKMOQSA-N 1 1 338.448 0.394 20 30 ECEDMO CCC(=O)N[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107417775 758502682 /nfs/dbraw/zinc/50/26/82/758502682.db2.gz PUOWTNWEISEMGY-GPMSIDNRSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)C1=O ZINC001022293263 758530393 /nfs/dbraw/zinc/53/03/93/758530393.db2.gz SRCOCCSXCJVHSH-QXSJWSMHSA-N 1 1 334.464 0.494 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)Cn3nccn3)CCC[C@@H]12 ZINC001107422581 758551242 /nfs/dbraw/zinc/55/12/42/758551242.db2.gz JKROYIBJWUPESR-NVXWUHKLSA-N 1 1 331.420 0.289 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)N(C)C)CCC[C@@H]12 ZINC001107436355 758561942 /nfs/dbraw/zinc/56/19/42/758561942.db2.gz WOZUDOZJGVOZQJ-ZHALLVOQSA-N 1 1 343.475 0.807 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1O ZINC001049360531 758565784 /nfs/dbraw/zinc/56/57/84/758565784.db2.gz CLXYBLMCDKXWLM-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC001107439747 758569184 /nfs/dbraw/zinc/56/91/84/758569184.db2.gz QHNKTHJANUPTOM-OGHNNQOOSA-N 1 1 334.420 0.521 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O ZINC001077237602 758572716 /nfs/dbraw/zinc/57/27/16/758572716.db2.gz MFOMXSJEPUZDSG-OWCLPIDISA-N 1 1 348.472 0.765 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccsn3)CCC[C@@H]12 ZINC001107446327 758584071 /nfs/dbraw/zinc/58/40/71/758584071.db2.gz GKFDCXOLNJFNSV-CZUORRHYSA-N 1 1 347.444 0.757 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3ccc(=O)[nH]c3=O)CCC[C@@H]12 ZINC001107465230 758621864 /nfs/dbraw/zinc/62/18/64/758621864.db2.gz RBLJHGDRFUEHPY-RDTXWAMCSA-N 1 1 346.431 0.886 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)C1 ZINC001107465469 758623235 /nfs/dbraw/zinc/62/32/35/758623235.db2.gz CBAZWZUJCIYHIX-JZIMQPMSSA-N 1 1 344.419 0.542 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)C1 ZINC001107466054 758624146 /nfs/dbraw/zinc/62/41/46/758624146.db2.gz UQRPXGYUDCGPRP-BWPKMQGJSA-N 1 1 344.419 0.542 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCN3C(=O)CCC3=O)CCC[C@@H]12 ZINC001107466582 758625441 /nfs/dbraw/zinc/62/54/41/758625441.db2.gz UKLCEHRWEZQDGJ-DNVCBOLYSA-N 1 1 345.443 0.910 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3[nH]nnc3C)CCC[C@@H]12 ZINC001107494787 758749429 /nfs/dbraw/zinc/74/94/29/758749429.db2.gz ZQHCHVNNKSJNQC-RHSMWYFYSA-N 1 1 331.420 0.737 20 30 ECEDMO CC(C)[C@H](F)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107509476 758780340 /nfs/dbraw/zinc/78/03/40/758780340.db2.gz JXBDOAHIYCGYGO-UKPHBRMFSA-N 1 1 338.427 0.981 20 30 ECEDMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001014426279 762659874 /nfs/dbraw/zinc/65/98/74/762659874.db2.gz GPHFNZFKBOXSMX-HNNXBMFYSA-N 1 1 344.806 0.569 20 30 ECEDMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001014426279 762659877 /nfs/dbraw/zinc/65/98/77/762659877.db2.gz GPHFNZFKBOXSMX-HNNXBMFYSA-N 1 1 344.806 0.569 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001049499846 758809587 /nfs/dbraw/zinc/80/95/87/758809587.db2.gz BKVJPUUXQXLYFO-RRFJBIMHSA-N 1 1 331.416 0.613 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001049503157 758815609 /nfs/dbraw/zinc/81/56/09/758815609.db2.gz UEOXKKXJVYYYKG-RRFJBIMHSA-N 1 1 331.416 0.613 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001049505721 758819479 /nfs/dbraw/zinc/81/94/79/758819479.db2.gz RTONKYAIEQUKDK-BRWVUGGUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1cnon1 ZINC001049529806 758867428 /nfs/dbraw/zinc/86/74/28/758867428.db2.gz SAINZVCTBPRXJM-ZACQAIPSSA-N 1 1 343.431 0.733 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1cnon1 ZINC001049529806 758867438 /nfs/dbraw/zinc/86/74/38/758867438.db2.gz SAINZVCTBPRXJM-ZACQAIPSSA-N 1 1 343.431 0.733 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001049569540 758935931 /nfs/dbraw/zinc/93/59/31/758935931.db2.gz ZDOSTSCJVBAZMI-VXGBXAGGSA-N 1 1 337.401 0.239 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCS(=O)(=O)C3)CCC[C@H]12 ZINC000991679325 762671457 /nfs/dbraw/zinc/67/14/57/762671457.db2.gz KWRATXOOJCTCHV-HLLBOEOZSA-N 1 1 338.473 0.948 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(OCC(N)=O)cc1 ZINC001049582042 758959616 /nfs/dbraw/zinc/95/96/16/758959616.db2.gz LFRGIJWIOQRFSN-SJORKVTESA-N 1 1 341.411 0.863 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccn3c2=O)[C@@H](O)C1 ZINC001083575704 758963711 /nfs/dbraw/zinc/96/37/11/758963711.db2.gz LOHJYCWYIITHAL-CABCVRRESA-N 1 1 342.399 0.436 20 30 ECEDMO C[C@@H](CCNC(=O)CC[NH+]1CCOCC1)NC(=O)c1c[nH]c(C#N)c1 ZINC001077394315 758982612 /nfs/dbraw/zinc/98/26/12/758982612.db2.gz LCIALDRBZRFHEJ-ZDUSSCGKSA-N 1 1 347.419 0.233 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001049606560 758985120 /nfs/dbraw/zinc/98/51/20/758985120.db2.gz CHDFRFGWCPONMO-XHSDSOJGSA-N 1 1 341.415 0.454 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001077414375 759029565 /nfs/dbraw/zinc/02/95/65/759029565.db2.gz WOYKZHXDLKDEBB-ZYHUDNBSSA-N 1 1 331.401 0.331 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001077414375 759029575 /nfs/dbraw/zinc/02/95/75/759029575.db2.gz WOYKZHXDLKDEBB-ZYHUDNBSSA-N 1 1 331.401 0.331 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)Cn2c[nH+]cc2C)nn1 ZINC001077423325 759076853 /nfs/dbraw/zinc/07/68/53/759076853.db2.gz RVHFTAVIZXGUHG-LBPRGKRZSA-N 1 1 345.407 0.294 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049692674 759107232 /nfs/dbraw/zinc/10/72/32/759107232.db2.gz UGIZFLKCBJOKFN-CABCVRRESA-N 1 1 342.399 0.617 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049692674 759107239 /nfs/dbraw/zinc/10/72/39/759107239.db2.gz UGIZFLKCBJOKFN-CABCVRRESA-N 1 1 342.399 0.617 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)[C@@H](O)C1 ZINC001083586904 759112948 /nfs/dbraw/zinc/11/29/48/759112948.db2.gz SPFMGYGKMWTSLL-NEPJUHHUSA-N 1 1 333.413 0.941 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)[C@@H](O)C1 ZINC001083586904 759112954 /nfs/dbraw/zinc/11/29/54/759112954.db2.gz SPFMGYGKMWTSLL-NEPJUHHUSA-N 1 1 333.413 0.941 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCn1cncn1 ZINC001049733217 759145790 /nfs/dbraw/zinc/14/57/90/759145790.db2.gz VVKHPPQKPLPDLK-TWMKSMIVSA-N 1 1 345.447 0.935 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csnn3)C2)nn1 ZINC001022836120 759156618 /nfs/dbraw/zinc/15/66/18/759156618.db2.gz VLKYYCKRYDKNLA-PHIMTYICSA-N 1 1 333.421 0.756 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049751871 759167767 /nfs/dbraw/zinc/16/77/67/759167767.db2.gz DTKCKQLWYFNXRJ-SRVKXCTJSA-N 1 1 340.811 0.402 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049751871 759167772 /nfs/dbraw/zinc/16/77/72/759167772.db2.gz DTKCKQLWYFNXRJ-SRVKXCTJSA-N 1 1 340.811 0.402 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049778555 759193796 /nfs/dbraw/zinc/19/37/96/759193796.db2.gz PUJWTMFEIAFMCO-NTXUUIFSSA-N 1 1 346.431 0.616 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001049780100 759196260 /nfs/dbraw/zinc/19/62/60/759196260.db2.gz ZBMWRBVERKZTEC-OOWFEOPPSA-N 1 1 344.415 0.063 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2nc[nH]n2)C1=O ZINC001049798843 759224240 /nfs/dbraw/zinc/22/42/40/759224240.db2.gz QXDONCGSHNPWSI-RDBSUJKOSA-N 1 1 344.419 0.271 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2nc[nH]n2)C1=O ZINC001049798843 759224250 /nfs/dbraw/zinc/22/42/50/759224250.db2.gz QXDONCGSHNPWSI-RDBSUJKOSA-N 1 1 344.419 0.271 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2nc[nH]n2)C1=O ZINC001049798841 759224675 /nfs/dbraw/zinc/22/46/75/759224675.db2.gz QXDONCGSHNPWSI-MCIONIFRSA-N 1 1 344.419 0.271 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2nc[nH]n2)C1=O ZINC001049798841 759224683 /nfs/dbraw/zinc/22/46/83/759224683.db2.gz QXDONCGSHNPWSI-MCIONIFRSA-N 1 1 344.419 0.271 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccncc2)[C@@H](O)C1 ZINC001083601299 759243297 /nfs/dbraw/zinc/24/32/97/759243297.db2.gz OQXYQCCLTJCJHF-CABCVRRESA-N 1 1 327.388 0.823 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cncn2)n1 ZINC001049818497 759252646 /nfs/dbraw/zinc/25/26/46/759252646.db2.gz RXOPTHDTLWBTCM-CVEARBPZSA-N 1 1 336.399 0.974 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)[C@@H](O)C1 ZINC001083605641 759259928 /nfs/dbraw/zinc/25/99/28/759259928.db2.gz HJLGUAGWEXSZPI-KGLIPLIRSA-N 1 1 335.404 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001049827119 759261078 /nfs/dbraw/zinc/26/10/78/759261078.db2.gz UQXOURBXXRAGHD-STQMWFEESA-N 1 1 332.404 0.015 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(N2CCOCC2)CCC1 ZINC001049829956 759265000 /nfs/dbraw/zinc/26/50/00/759265000.db2.gz VBEOWNRPPCVBIH-SJORKVTESA-N 1 1 331.460 0.940 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O ZINC001049841442 759285082 /nfs/dbraw/zinc/28/50/82/759285082.db2.gz SQKMTHMMXOOPBY-CABCVRRESA-N 1 1 348.447 0.912 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(=O)[nH]cnc3c2)C1 ZINC001047630504 759344594 /nfs/dbraw/zinc/34/45/94/759344594.db2.gz UYLHNBPLBSNYPC-HOTGVXAUSA-N 1 1 340.383 0.476 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(=O)[nH]cnc3c2)C1 ZINC001047630504 759344606 /nfs/dbraw/zinc/34/46/06/759344606.db2.gz UYLHNBPLBSNYPC-HOTGVXAUSA-N 1 1 340.383 0.476 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001049887443 759351177 /nfs/dbraw/zinc/35/11/77/759351177.db2.gz ZXABRUAWPLBYJZ-UONOGXRCSA-N 1 1 330.388 0.188 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1nc2ncccn2n1 ZINC001049891064 759357818 /nfs/dbraw/zinc/35/78/18/759357818.db2.gz QJTYIMOUWVKOEU-UONOGXRCSA-N 1 1 326.404 0.918 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)N2CCCCC2=O)C1 ZINC001047639302 759378615 /nfs/dbraw/zinc/37/86/15/759378615.db2.gz QVTNIKXWSDUFCM-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CCOc1ccc(CC(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)cc1 ZINC001047640930 759385345 /nfs/dbraw/zinc/38/53/45/759385345.db2.gz MFWKOQXHWYZTAQ-WBAXXEDZSA-N 1 1 348.443 0.678 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)nn(C)c3C)C2)C1=O ZINC001015447662 767856277 /nfs/dbraw/zinc/85/62/77/767856277.db2.gz SDKQQNWAXNRVSY-CABCVRRESA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)nn(C)c3C)C2)C1=O ZINC001015447662 767856284 /nfs/dbraw/zinc/85/62/84/767856284.db2.gz SDKQQNWAXNRVSY-CABCVRRESA-N 1 1 345.447 0.628 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(COC)s2)C1 ZINC001047648612 759407286 /nfs/dbraw/zinc/40/72/86/759407286.db2.gz UURPURORCKSVPX-RYUDHWBXSA-N 1 1 325.434 0.983 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2CCOCC2)C1 ZINC001047653504 759416497 /nfs/dbraw/zinc/41/64/97/759416497.db2.gz KQPGSLWQIGGXGU-JYJNAYRXSA-N 1 1 325.453 0.177 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001054242975 767858337 /nfs/dbraw/zinc/85/83/37/767858337.db2.gz UXIHSHQZSPNHBN-HIFRSBDPSA-N 1 1 327.450 0.179 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC(=O)NC1=O ZINC001049934129 759426426 /nfs/dbraw/zinc/42/64/26/759426426.db2.gz QLXCOXBRDFPCKR-RWMBFGLXSA-N 1 1 339.823 0.857 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC(=O)NC1=O ZINC001049934129 759426432 /nfs/dbraw/zinc/42/64/32/759426432.db2.gz QLXCOXBRDFPCKR-RWMBFGLXSA-N 1 1 339.823 0.857 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)CC(N)=O)[C@@H]3C2)c1 ZINC001050003567 759532195 /nfs/dbraw/zinc/53/21/95/759532195.db2.gz IEOSXFZRXVEHSH-JKSUJKDBSA-N 1 1 326.400 0.856 20 30 ECEDMO NC(=O)CC(=O)N1CCC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001050003654 759534315 /nfs/dbraw/zinc/53/43/15/759534315.db2.gz MHZWYNVQRWUGFJ-DOTOQJQBSA-N 1 1 343.402 0.975 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1=CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001017345719 767875854 /nfs/dbraw/zinc/87/58/54/767875854.db2.gz ZRHJBZJOWJQRIK-MRXNPFEDSA-N 1 1 341.415 0.869 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCC1=CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001017344865 767873369 /nfs/dbraw/zinc/87/33/69/767873369.db2.gz OZDOGXVPYFFALQ-MRXNPFEDSA-N 1 1 341.415 0.869 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993004407 767874944 /nfs/dbraw/zinc/87/49/44/767874944.db2.gz BKCKNLWERJBMFJ-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993004407 767874950 /nfs/dbraw/zinc/87/49/50/767874950.db2.gz BKCKNLWERJBMFJ-CJNGLKHVSA-N 1 1 339.403 0.714 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC(OC2C[NH+](C[C@H](C)OC)C2)CC1 ZINC001105708784 759670761 /nfs/dbraw/zinc/67/07/61/759670761.db2.gz ZDHAIPWWDLHORF-GJZGRUSLSA-N 1 1 338.448 0.751 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CN(C(=O)c3cc(C)[nH]n3)CC2(C)C)C1=O ZINC000995527014 759708203 /nfs/dbraw/zinc/70/82/03/759708203.db2.gz DJPUFHBMSFHCQH-HIFRSBDPSA-N 1 1 345.447 0.945 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050105574 759715008 /nfs/dbraw/zinc/71/50/08/759715008.db2.gz XUIGDZVVBVWZLR-KBPBESRZSA-N 1 1 340.493 0.937 20 30 ECEDMO C=CCCn1cc(C(=O)N2CCC[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)nn1 ZINC001050160660 759827600 /nfs/dbraw/zinc/82/76/00/759827600.db2.gz NDPQDTGRYKQQHD-IJEWVQPXSA-N 1 1 333.436 0.771 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)nc1 ZINC001050184093 759893761 /nfs/dbraw/zinc/89/37/61/759893761.db2.gz ATGZQWVGPHQQEC-IVMMDQJWSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)nc1 ZINC001050184093 759893769 /nfs/dbraw/zinc/89/37/69/759893769.db2.gz ATGZQWVGPHQQEC-IVMMDQJWSA-N 1 1 326.400 0.473 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)cn1 ZINC001050186992 759901577 /nfs/dbraw/zinc/90/15/77/759901577.db2.gz ZXNQDDRBRWMOIP-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)cn1 ZINC001050186992 759901581 /nfs/dbraw/zinc/90/15/81/759901581.db2.gz ZXNQDDRBRWMOIP-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 ZINC001050194180 759913129 /nfs/dbraw/zinc/91/31/29/759913129.db2.gz YQBKBOFEXRAIOV-LSDHHAIUSA-N 1 1 333.436 0.389 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCN(C(=O)[C@H]4CCCO4)[C@@H]3C2)C1=O ZINC001050208168 759942166 /nfs/dbraw/zinc/94/21/66/759942166.db2.gz DWCAHCRQAKHWGA-YLFCFFPRSA-N 1 1 347.459 0.875 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C(N)=O)cn3)[C@@H]2C1 ZINC001050213500 759948120 /nfs/dbraw/zinc/94/81/20/759948120.db2.gz ZWRMPWYWWRKHOQ-GOEBONIOSA-N 1 1 326.400 0.740 20 30 ECEDMO C=CCN1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001050222560 759969566 /nfs/dbraw/zinc/96/95/66/759969566.db2.gz BOTNRXZFQLQNDY-ZBFHGGJFSA-N 1 1 345.447 0.567 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H](CC[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001050234439 760012785 /nfs/dbraw/zinc/01/27/85/760012785.db2.gz HBHMHWNVAOJJTN-DOTOQJQBSA-N 1 1 346.475 0.048 20 30 ECEDMO C=CCOCCCC(=O)NCC[NH2+]Cc1nnnn1-c1ccccc1 ZINC001125252738 760020751 /nfs/dbraw/zinc/02/07/51/760020751.db2.gz LGERRAJBVNRJHX-UHFFFAOYSA-N 1 1 344.419 0.851 20 30 ECEDMO C#CCOCCC(=O)NCC[NH2+]Cc1nc2ccsc2c(=O)[nH]1 ZINC001127032307 760050533 /nfs/dbraw/zinc/05/05/33/760050533.db2.gz XENRUHUZGQCARH-UHFFFAOYSA-N 1 1 334.401 0.643 20 30 ECEDMO Cn1cc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)nn1 ZINC000995689386 760060558 /nfs/dbraw/zinc/06/05/58/760060558.db2.gz OBYABLQCDWWLHB-CQSZACIVSA-N 1 1 327.392 0.655 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3nnn(C)n3)C2)cc1 ZINC001048331608 760318290 /nfs/dbraw/zinc/31/82/90/760318290.db2.gz QNZLFSNGLSMFJJ-CJNGLKHVSA-N 1 1 338.415 0.689 20 30 ECEDMO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(-c2occc2C)o1 ZINC001127051763 760485888 /nfs/dbraw/zinc/48/58/88/760485888.db2.gz MIDORKSRIGMHSW-GFCCVEGCSA-N 1 1 332.360 0.882 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(C)c2C)C1=O ZINC001032280445 760491316 /nfs/dbraw/zinc/49/13/16/760491316.db2.gz HYVOIFJWEQKNGT-DZKIICNBSA-N 1 1 343.431 0.414 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(C)c2C)C1=O ZINC001032280445 760491322 /nfs/dbraw/zinc/49/13/22/760491322.db2.gz HYVOIFJWEQKNGT-DZKIICNBSA-N 1 1 343.431 0.414 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1csc(-c2ncccn2)n1 ZINC001127056776 760551000 /nfs/dbraw/zinc/55/10/00/760551000.db2.gz JGCFYLPFCSAPAL-LBPRGKRZSA-N 1 1 345.428 0.844 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253796 782565611 /nfs/dbraw/zinc/56/56/11/782565611.db2.gz RHNDVMZQUNTZPZ-ZIAGYGMSSA-N 1 1 329.360 0.647 20 30 ECEDMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C2 ZINC001048516594 760647752 /nfs/dbraw/zinc/64/77/52/760647752.db2.gz LOTYZDZXWRXPNQ-UBSAEIQESA-N 1 1 329.404 0.605 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001048532787 760672616 /nfs/dbraw/zinc/67/26/16/760672616.db2.gz GQSALUDANCBOOB-KSWRQPAISA-N 1 1 346.475 0.317 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@@H]1O ZINC001048540270 760684657 /nfs/dbraw/zinc/68/46/57/760684657.db2.gz RBFUXGTVKADGKZ-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)c1 ZINC001048561974 760721177 /nfs/dbraw/zinc/72/11/77/760721177.db2.gz FTAPBONIABRDEM-SDNTUTLCSA-N 1 1 340.427 0.910 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)c1 ZINC001048562018 760721209 /nfs/dbraw/zinc/72/12/09/760721209.db2.gz HVJFYZNKUYWMAI-RBVVOMGSSA-N 1 1 326.400 0.521 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1 ZINC000995905477 760754187 /nfs/dbraw/zinc/75/41/87/760754187.db2.gz AURLJMVCHJUETF-OEAJRASXSA-N 1 1 341.415 0.842 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001050735013 760754758 /nfs/dbraw/zinc/75/47/58/760754758.db2.gz DZPQEVFGECJRJS-CVEARBPZSA-N 1 1 349.475 0.864 20 30 ECEDMO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001048587257 760760015 /nfs/dbraw/zinc/76/00/15/760760015.db2.gz HSGJHZBOVHFDFK-BTTYYORXSA-N 1 1 344.415 0.482 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)[C@@H](O)C1 ZINC001083662753 760761629 /nfs/dbraw/zinc/76/16/29/760761629.db2.gz IDLQZPFJCMDECF-KFWWJZLASA-N 1 1 333.436 0.276 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C#CC2CC2)C1 ZINC001050770863 760813174 /nfs/dbraw/zinc/81/31/74/760813174.db2.gz DJKVLSHVVMAGHB-CZUORRHYSA-N 1 1 328.416 0.958 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C ZINC001050800778 760878068 /nfs/dbraw/zinc/87/80/68/760878068.db2.gz AQHBNOSZQCPDRZ-OCCSQVGLSA-N 1 1 325.376 0.637 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)c4cnsn4)C[C@H]3C2)C1=O ZINC001048700343 760969116 /nfs/dbraw/zinc/96/91/16/760969116.db2.gz ISHQBXMYVKDKGS-MBNYWOFBSA-N 1 1 347.444 0.329 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3coc(S(N)(=O)=O)c3)CCC[C@@H]12 ZINC000991447884 760994174 /nfs/dbraw/zinc/99/41/74/760994174.db2.gz PBMOHURUMLYPHC-DOMZBBRYSA-N 1 1 337.401 0.287 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1Cc1ccccc1C#N ZINC001050848799 760995040 /nfs/dbraw/zinc/99/50/40/760995040.db2.gz PFSVUHBHZPCKFN-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1O ZINC001048712447 760999590 /nfs/dbraw/zinc/99/95/90/760999590.db2.gz UIOJUJZSCJHXLS-ULQDDVLXSA-N 1 1 349.475 0.552 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H]2CCCOC2)c1 ZINC001050864300 761032313 /nfs/dbraw/zinc/03/23/13/761032313.db2.gz ALQGMERZLJXKOW-UKRRQHHQSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H]2CCCOC2)c1 ZINC001050864300 761032321 /nfs/dbraw/zinc/03/23/21/761032321.db2.gz ALQGMERZLJXKOW-UKRRQHHQSA-N 1 1 332.404 0.744 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]3C2)C1=O ZINC001048723761 761045136 /nfs/dbraw/zinc/04/51/36/761045136.db2.gz OTJUJDSEAFCMFU-TWMKSMIVSA-N 1 1 346.475 0.258 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]3C2)C1=O ZINC001048723761 761045143 /nfs/dbraw/zinc/04/51/43/761045143.db2.gz OTJUJDSEAFCMFU-TWMKSMIVSA-N 1 1 346.475 0.258 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@@H]2CCOC2)c[nH]1 ZINC001050880081 761061063 /nfs/dbraw/zinc/06/10/63/761061063.db2.gz MAYNVWDTLHIWOM-CJNGLKHVSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@@H]2CCOC2)c[nH]1 ZINC001050880081 761061072 /nfs/dbraw/zinc/06/10/72/761061072.db2.gz MAYNVWDTLHIWOM-CJNGLKHVSA-N 1 1 332.404 0.744 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@H]3C2)c1 ZINC001048750499 761110313 /nfs/dbraw/zinc/11/03/13/761110313.db2.gz XQZPUGFWBOKRHW-BETUJISGSA-N 1 1 327.388 0.169 20 30 ECEDMO CN(C(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1)C1CC1 ZINC001048764267 761135897 /nfs/dbraw/zinc/13/58/97/761135897.db2.gz SSEUCSDYABAJGB-BETUJISGSA-N 1 1 341.415 0.511 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)C(C)(C)CNC(C)=O)CC2)C1 ZINC001105728491 761363180 /nfs/dbraw/zinc/36/31/80/761363180.db2.gz XFFGRNYDQAWYTA-UHFFFAOYSA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CCN1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051030404 761366572 /nfs/dbraw/zinc/36/65/72/761366572.db2.gz YZUGOKARPUUNAE-VZDIDWBNSA-N 1 1 349.475 0.633 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001051125205 761526435 /nfs/dbraw/zinc/52/64/35/761526435.db2.gz PBQAYVJOADSIOC-GJZGRUSLSA-N 1 1 348.451 0.409 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001051125205 761526442 /nfs/dbraw/zinc/52/64/42/761526442.db2.gz PBQAYVJOADSIOC-GJZGRUSLSA-N 1 1 348.451 0.409 20 30 ECEDMO CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001051189723 761649952 /nfs/dbraw/zinc/64/99/52/761649952.db2.gz PQSRHZZXBCPVDY-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1c1cncc(C#N)n1 ZINC001051196039 761666898 /nfs/dbraw/zinc/66/68/98/761666898.db2.gz GIYDCZHOMQHUEC-RJZRQDKASA-N 1 1 344.419 0.151 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1c1cncc(C#N)n1 ZINC001051196039 761666900 /nfs/dbraw/zinc/66/69/00/761666900.db2.gz GIYDCZHOMQHUEC-RJZRQDKASA-N 1 1 344.419 0.151 20 30 ECEDMO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001051200958 761675546 /nfs/dbraw/zinc/67/55/46/761675546.db2.gz FZCSFWMSVUIVTR-AWEZNQCLSA-N 1 1 347.415 0.867 20 30 ECEDMO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001051200958 761675548 /nfs/dbraw/zinc/67/55/48/761675548.db2.gz FZCSFWMSVUIVTR-AWEZNQCLSA-N 1 1 347.415 0.867 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1c1ccnc(C#N)n1 ZINC001051231537 761728380 /nfs/dbraw/zinc/72/83/80/761728380.db2.gz ZWPDATDBWXYSCE-HZSPNIEDSA-N 1 1 328.420 0.916 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3n[nH]cc3F)[C@H]2C)C1=O ZINC001088840449 761746985 /nfs/dbraw/zinc/74/69/85/761746985.db2.gz JSGGTJVAQIGPQU-WXHSDQCUSA-N 1 1 335.383 0.528 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3n[nH]cc3F)[C@H]2C)C1=O ZINC001088840449 761746990 /nfs/dbraw/zinc/74/69/90/761746990.db2.gz JSGGTJVAQIGPQU-WXHSDQCUSA-N 1 1 335.383 0.528 20 30 ECEDMO C=C(C)CCN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001051249464 761761900 /nfs/dbraw/zinc/76/19/00/761761900.db2.gz FVTCRNQMXFLBBI-JKSUJKDBSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(C)CCN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001051249464 761761904 /nfs/dbraw/zinc/76/19/04/761761904.db2.gz FVTCRNQMXFLBBI-JKSUJKDBSA-N 1 1 325.453 0.490 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001051252274 761767323 /nfs/dbraw/zinc/76/73/23/761767323.db2.gz CKMMOEKMVKKALD-HZPDHXFCSA-N 1 1 347.463 0.932 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001051252274 761767328 /nfs/dbraw/zinc/76/73/28/761767328.db2.gz CKMMOEKMVKKALD-HZPDHXFCSA-N 1 1 347.463 0.932 20 30 ECEDMO CC#CC[N@H+]1CCc2c(CNC(=O)C3CS(=O)(=O)C3)cccc2C1 ZINC001051288958 761832260 /nfs/dbraw/zinc/83/22/60/761832260.db2.gz ACJLPEOASKDAKY-UHFFFAOYSA-N 1 1 346.452 0.729 20 30 ECEDMO CC#CC[N@H+]1CCc2c(CNC(=O)[C@H]3CN(C)C(=O)N3)cccc2C1 ZINC001051296500 761844522 /nfs/dbraw/zinc/84/45/22/761844522.db2.gz SIDPAPHTKVCEII-QGZVFWFLSA-N 1 1 340.427 0.708 20 30 ECEDMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212165667 761865706 /nfs/dbraw/zinc/86/57/06/761865706.db2.gz GLJKNPQOWLZXJC-HUUCEWRRSA-N 1 1 330.388 0.010 20 30 ECEDMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212165667 761865718 /nfs/dbraw/zinc/86/57/18/761865718.db2.gz GLJKNPQOWLZXJC-HUUCEWRRSA-N 1 1 330.388 0.010 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)nn1 ZINC001098676894 762840519 /nfs/dbraw/zinc/84/05/19/762840519.db2.gz ZLPCVNLFVDIYIH-QRTARXTBSA-N 1 1 331.420 0.754 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H](O)C(C)C)CC1 ZINC001017537040 768093211 /nfs/dbraw/zinc/09/32/11/768093211.db2.gz KJEQRFHVTVGZCT-DLBZAZTESA-N 1 1 347.459 0.376 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H](O)C(C)C)CC1 ZINC001017537040 768093218 /nfs/dbraw/zinc/09/32/18/768093218.db2.gz KJEQRFHVTVGZCT-DLBZAZTESA-N 1 1 347.459 0.376 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC001051834582 763076825 /nfs/dbraw/zinc/07/68/25/763076825.db2.gz RCOLXGQQTRZAAQ-OAGGEKHMSA-N 1 1 346.431 0.693 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001046780790 763116301 /nfs/dbraw/zinc/11/63/01/763116301.db2.gz ADQUSQVHQKZRKH-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001046780790 763116308 /nfs/dbraw/zinc/11/63/08/763116308.db2.gz ADQUSQVHQKZRKH-APWZRJJASA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC001046783555 763120687 /nfs/dbraw/zinc/12/06/87/763120687.db2.gz QZTGMEFVNFGWKF-SCLBCKFNSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)nc1 ZINC001046783555 763120691 /nfs/dbraw/zinc/12/06/91/763120691.db2.gz QZTGMEFVNFGWKF-SCLBCKFNSA-N 1 1 328.416 0.734 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1cn(CC)nn1 ZINC001089842137 763125313 /nfs/dbraw/zinc/12/53/13/763125313.db2.gz IJVMKGCRFBAMKO-LLLHUVSDSA-N 1 1 327.432 0.643 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001014769751 763125377 /nfs/dbraw/zinc/12/53/77/763125377.db2.gz MRESAGQBPNVNMI-IRXDYDNUSA-N 1 1 342.443 0.173 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ncnn2CCF)C1 ZINC001014770426 763127312 /nfs/dbraw/zinc/12/73/12/763127312.db2.gz QBILHVJHUUUIFI-CABCVRRESA-N 1 1 348.426 0.036 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ncnn2CCF)C1 ZINC001014770426 763127315 /nfs/dbraw/zinc/12/73/15/763127315.db2.gz QBILHVJHUUUIFI-CABCVRRESA-N 1 1 348.426 0.036 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001105972897 763137789 /nfs/dbraw/zinc/13/77/89/763137789.db2.gz RRGNGUDDKFFCRI-ZIAGYGMSSA-N 1 1 332.408 0.110 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2snnc2C)C1 ZINC001014780906 763141603 /nfs/dbraw/zinc/14/16/03/763141603.db2.gz XFXUGWSNJUQIDJ-KBPBESRZSA-N 1 1 333.461 0.635 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2snnc2C)C1 ZINC001014780906 763141608 /nfs/dbraw/zinc/14/16/08/763141608.db2.gz XFXUGWSNJUQIDJ-KBPBESRZSA-N 1 1 333.461 0.635 20 30 ECEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001046821013 763172967 /nfs/dbraw/zinc/17/29/67/763172967.db2.gz PPDQOHGGPVCYSZ-KRWDZBQOSA-N 1 1 326.404 0.959 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001046821013 763172974 /nfs/dbraw/zinc/17/29/74/763172974.db2.gz PPDQOHGGPVCYSZ-KRWDZBQOSA-N 1 1 326.404 0.959 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCNC(=O)C1 ZINC001089850284 763179470 /nfs/dbraw/zinc/17/94/70/763179470.db2.gz NGKLXUDZVHVJHJ-NXOAAHMSSA-N 1 1 346.475 0.163 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)cc1 ZINC001014812606 763216358 /nfs/dbraw/zinc/21/63/58/763216358.db2.gz UFYHEEBKJMVJRD-CVEARBPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001046854701 763242582 /nfs/dbraw/zinc/24/25/82/763242582.db2.gz RRCOAMSYAHHXBM-MRXNPFEDSA-N 1 1 334.424 0.137 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001046885178 763298105 /nfs/dbraw/zinc/29/81/05/763298105.db2.gz CJDKWVGEBUZJEX-DYVFJYSZSA-N 1 1 331.420 0.638 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2O)C1 ZINC000991760429 763300353 /nfs/dbraw/zinc/30/03/53/763300353.db2.gz BQKBYGODBOJYBE-JKSUJKDBSA-N 1 1 349.475 0.905 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)[nH]3)C2)nc1 ZINC001051909356 763304864 /nfs/dbraw/zinc/30/48/64/763304864.db2.gz SITDQSBORCFCKS-CQSZACIVSA-N 1 1 340.387 0.120 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2O)C1 ZINC000991767593 763341138 /nfs/dbraw/zinc/34/11/38/763341138.db2.gz JUKOZANFJQYRCB-GJZGRUSLSA-N 1 1 346.431 0.626 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001106921272 763345521 /nfs/dbraw/zinc/34/55/21/763345521.db2.gz BQXPJAUGLRAANU-HNNXBMFYSA-N 1 1 346.435 0.718 20 30 ECEDMO CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001106921272 763345531 /nfs/dbraw/zinc/34/55/31/763345531.db2.gz BQXPJAUGLRAANU-HNNXBMFYSA-N 1 1 346.435 0.718 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N(C)C3CC3)C2)cc1 ZINC001031892173 763347258 /nfs/dbraw/zinc/34/72/58/763347258.db2.gz PIWRVZONNGOPTP-UHFFFAOYSA-N 1 1 325.412 0.950 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001106921569 763347459 /nfs/dbraw/zinc/34/74/59/763347459.db2.gz MENVMSVWUNLQSO-QGZVFWFLSA-N 1 1 345.447 0.745 20 30 ECEDMO CCN(CCNc1ccncc1C#N)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001106921569 763347470 /nfs/dbraw/zinc/34/74/70/763347470.db2.gz MENVMSVWUNLQSO-QGZVFWFLSA-N 1 1 345.447 0.745 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OCC)n[nH]3)C2)C1=O ZINC001014889271 763379499 /nfs/dbraw/zinc/37/94/99/763379499.db2.gz NORZHMXBXOEWHV-JSGCOSHPSA-N 1 1 347.419 0.399 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(OCC)n[nH]3)C2)C1=O ZINC001014889271 763379507 /nfs/dbraw/zinc/37/95/07/763379507.db2.gz NORZHMXBXOEWHV-JSGCOSHPSA-N 1 1 347.419 0.399 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCC2(F)F)c1 ZINC001046927747 763400859 /nfs/dbraw/zinc/40/08/59/763400859.db2.gz CUJGHMMEOXQCCF-GFCCVEGCSA-N 1 1 326.347 0.956 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001046930869 763409166 /nfs/dbraw/zinc/40/91/66/763409166.db2.gz KTYZWNUHNQCTJJ-KGLIPLIRSA-N 1 1 329.391 0.414 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001046940652 763427700 /nfs/dbraw/zinc/42/77/00/763427700.db2.gz XAHCFLFLXMMFJM-LBPRGKRZSA-N 1 1 337.374 0.863 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001046940652 763427702 /nfs/dbraw/zinc/42/77/02/763427702.db2.gz XAHCFLFLXMMFJM-LBPRGKRZSA-N 1 1 337.374 0.863 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001046947865 763439056 /nfs/dbraw/zinc/43/90/56/763439056.db2.gz YOBGXELLUFXTCV-LLVKDONJSA-N 1 1 334.330 0.673 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001046947865 763439057 /nfs/dbraw/zinc/43/90/57/763439057.db2.gz YOBGXELLUFXTCV-LLVKDONJSA-N 1 1 334.330 0.673 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc3c(o2)CCCC3)C1 ZINC001030464139 763456056 /nfs/dbraw/zinc/45/60/56/763456056.db2.gz JBBZMUYZHSYXRQ-INIZCTEOSA-N 1 1 342.443 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2nc3c(o2)CCCC3)C1 ZINC001030464139 763456062 /nfs/dbraw/zinc/45/60/62/763456062.db2.gz JBBZMUYZHSYXRQ-INIZCTEOSA-N 1 1 342.443 0.951 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001046955114 763456545 /nfs/dbraw/zinc/45/65/45/763456545.db2.gz XPVFOPYJAHXZBO-KBPBESRZSA-N 1 1 341.402 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN([C@H]2CCN(C3CCC3)C2=O)C1 ZINC001030464366 763457075 /nfs/dbraw/zinc/45/70/75/763457075.db2.gz QOHRKWDHSZCSQP-IRXDYDNUSA-N 1 1 344.459 0.038 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN([C@H]2CCN(C3CCC3)C2=O)C1 ZINC001030464366 763457080 /nfs/dbraw/zinc/45/70/80/763457080.db2.gz QOHRKWDHSZCSQP-IRXDYDNUSA-N 1 1 344.459 0.038 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001046961388 763469052 /nfs/dbraw/zinc/46/90/52/763469052.db2.gz MHSKEWVACMJUEU-ZDUSSCGKSA-N 1 1 348.357 0.835 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001046961388 763469059 /nfs/dbraw/zinc/46/90/59/763469059.db2.gz MHSKEWVACMJUEU-ZDUSSCGKSA-N 1 1 348.357 0.835 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046962400 763471235 /nfs/dbraw/zinc/47/12/35/763471235.db2.gz JLACETVXLVBNFN-VXGBXAGGSA-N 1 1 328.363 0.107 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046962400 763471242 /nfs/dbraw/zinc/47/12/42/763471242.db2.gz JLACETVXLVBNFN-VXGBXAGGSA-N 1 1 328.363 0.107 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046962399 763471871 /nfs/dbraw/zinc/47/18/71/763471871.db2.gz JLACETVXLVBNFN-RYUDHWBXSA-N 1 1 328.363 0.107 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046962399 763471874 /nfs/dbraw/zinc/47/18/74/763471874.db2.gz JLACETVXLVBNFN-RYUDHWBXSA-N 1 1 328.363 0.107 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)C1 ZINC001046963774 763474306 /nfs/dbraw/zinc/47/43/06/763474306.db2.gz JISOSZRYNNPQTJ-KGLIPLIRSA-N 1 1 344.406 0.693 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001046964885 763476952 /nfs/dbraw/zinc/47/69/52/763476952.db2.gz ZHURZULHWGZAAW-OLZOCXBDSA-N 1 1 327.375 0.704 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001046970198 763488773 /nfs/dbraw/zinc/48/87/73/763488773.db2.gz HERQGFZZKYISJQ-NSHDSACASA-N 1 1 326.347 0.836 20 30 ECEDMO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046970198 763488780 /nfs/dbraw/zinc/48/87/80/763488780.db2.gz HERQGFZZKYISJQ-NSHDSACASA-N 1 1 326.347 0.836 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046970198 763488784 /nfs/dbraw/zinc/48/87/84/763488784.db2.gz HERQGFZZKYISJQ-NSHDSACASA-N 1 1 326.347 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001046985933 763516378 /nfs/dbraw/zinc/51/63/78/763516378.db2.gz KVZYPWGPALKDOG-CHWSQXEVSA-N 1 1 342.390 0.626 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001046985933 763516382 /nfs/dbraw/zinc/51/63/82/763516382.db2.gz KVZYPWGPALKDOG-CHWSQXEVSA-N 1 1 342.390 0.626 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c(C)cnn3C)C2)C1=O ZINC001031908964 763516968 /nfs/dbraw/zinc/51/69/68/763516968.db2.gz XZEHACSENSRQCN-CQSZACIVSA-N 1 1 331.420 0.177 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCn3cccn3)C2)CC1 ZINC001051986569 763519911 /nfs/dbraw/zinc/51/99/11/763519911.db2.gz IEWLHOLLUXSXIS-QGZVFWFLSA-N 1 1 329.448 0.515 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046994619 763532330 /nfs/dbraw/zinc/53/23/30/763532330.db2.gz KHDWWACRPUZPGY-LLVKDONJSA-N 1 1 328.363 0.597 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001046995244 763534744 /nfs/dbraw/zinc/53/47/44/763534744.db2.gz OIKBSRRCKFQEKU-KGLIPLIRSA-N 1 1 341.402 0.952 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001046995878 763535991 /nfs/dbraw/zinc/53/59/91/763535991.db2.gz MDAYJCZYQPPJME-KBPBESRZSA-N 1 1 331.407 0.967 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001046997533 763539261 /nfs/dbraw/zinc/53/92/61/763539261.db2.gz ARJVEISKWFPNMM-RYUDHWBXSA-N 1 1 330.379 0.789 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 ZINC001047023989 763564722 /nfs/dbraw/zinc/56/47/22/763564722.db2.gz WGKUODBKBOIKKX-PWNZVWSESA-N 1 1 328.420 0.853 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(CC)n3)C2)CC1 ZINC001052023229 763609551 /nfs/dbraw/zinc/60/95/51/763609551.db2.gz ZMRWDFYPFNTOKT-HNNXBMFYSA-N 1 1 330.436 0.153 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)CC1 ZINC001052025477 763615550 /nfs/dbraw/zinc/61/55/50/763615550.db2.gz FOJOKXLRIPGFHU-IRXDYDNUSA-N 1 1 335.448 0.034 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(OC)ncn3)C2)CC1 ZINC001052026145 763618600 /nfs/dbraw/zinc/61/86/00/763618600.db2.gz ASTAWEIGQISQFO-OAHLLOKOSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052028571 763623360 /nfs/dbraw/zinc/62/33/60/763623360.db2.gz QVUWQDFDDVVMRU-OAHLLOKOSA-N 1 1 327.432 0.295 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)CC1 ZINC001052028193 763623926 /nfs/dbraw/zinc/62/39/26/763623926.db2.gz OPXNUODODVUVHA-HUUCEWRRSA-N 1 1 342.447 0.572 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032318 763634097 /nfs/dbraw/zinc/63/40/97/763634097.db2.gz FLZDVQSEKTZJIB-MRXNPFEDSA-N 1 1 328.420 0.151 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccn4nnnc34)C2)CC1 ZINC001052032443 763634637 /nfs/dbraw/zinc/63/46/37/763634637.db2.gz GTAAUUYJRBBVBT-CQSZACIVSA-N 1 1 341.419 0.142 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccn4nnnc34)C2)CC1 ZINC001052032443 763634645 /nfs/dbraw/zinc/63/46/45/763634645.db2.gz GTAAUUYJRBBVBT-CQSZACIVSA-N 1 1 341.419 0.142 20 30 ECEDMO C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001052035238 763640251 /nfs/dbraw/zinc/64/02/51/763640251.db2.gz FGYQJDAKWLSISG-ZWKOTPCHSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C4CC4)cnn3C)C2)CC1 ZINC001052035879 763645405 /nfs/dbraw/zinc/64/54/05/763645405.db2.gz SJUXYHRZEDVPKL-MRXNPFEDSA-N 1 1 341.459 0.763 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cncc(COC)c3)C2)CC1 ZINC001052037740 763656920 /nfs/dbraw/zinc/65/69/20/763656920.db2.gz QKWJIVQACNLDPI-GOSISDBHSA-N 1 1 342.443 0.693 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001077574316 763658663 /nfs/dbraw/zinc/65/86/63/763658663.db2.gz XBPJAOHBTOBNJF-JHJVBQTASA-N 1 1 333.354 0.055 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001077574316 763658668 /nfs/dbraw/zinc/65/86/68/763658668.db2.gz XBPJAOHBTOBNJF-JHJVBQTASA-N 1 1 333.354 0.055 20 30 ECEDMO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)CC1 ZINC001052048037 763693918 /nfs/dbraw/zinc/69/39/18/763693918.db2.gz JDAXIWSXWBDQPH-QGZVFWFLSA-N 1 1 344.459 0.794 20 30 ECEDMO Cc1cc(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n(C)n1 ZINC001052048688 763698215 /nfs/dbraw/zinc/69/82/15/763698215.db2.gz BDVYRDLMBHZTIU-OAHLLOKOSA-N 1 1 330.436 0.013 20 30 ECEDMO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C2)CC1 ZINC001052049436 763701244 /nfs/dbraw/zinc/70/12/44/763701244.db2.gz LORVZHFAVAEAIW-CQSZACIVSA-N 1 1 344.415 0.234 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052031 763714056 /nfs/dbraw/zinc/71/40/56/763714056.db2.gz GCFTVKSJWULEQM-GOSISDBHSA-N 1 1 341.459 0.651 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc1 ZINC001077537011 768157754 /nfs/dbraw/zinc/15/77/54/768157754.db2.gz VWDVYIPXVMTSBT-JJTUDDRGSA-N 1 1 327.384 0.112 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc1 ZINC001077537011 768157757 /nfs/dbraw/zinc/15/77/57/768157757.db2.gz VWDVYIPXVMTSBT-JJTUDDRGSA-N 1 1 327.384 0.112 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C(C)C)cn3)C2)CC1 ZINC001052058592 763734727 /nfs/dbraw/zinc/73/47/27/763734727.db2.gz YXCIZKPWBZAMJG-MRXNPFEDSA-N 1 1 329.448 0.929 20 30 ECEDMO Cc1cc(C)c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(=O)[nH]1 ZINC001052058858 763736370 /nfs/dbraw/zinc/73/63/70/763736370.db2.gz BCVWAXRYBHZHKW-HNNXBMFYSA-N 1 1 343.431 0.760 20 30 ECEDMO Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052059668 763736999 /nfs/dbraw/zinc/73/69/99/763736999.db2.gz LHZBCKZYRZEUKU-INIZCTEOSA-N 1 1 344.463 0.322 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CCC(=O)NC1 ZINC001015043186 763737893 /nfs/dbraw/zinc/73/78/93/763737893.db2.gz MEQVEWFPBFVCHZ-IRXDYDNUSA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCC(=O)NC1 ZINC001015043186 763737896 /nfs/dbraw/zinc/73/78/96/763737896.db2.gz MEQVEWFPBFVCHZ-IRXDYDNUSA-N 1 1 325.412 0.755 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052060400 763739899 /nfs/dbraw/zinc/73/98/99/763739899.db2.gz CUHKXZTZCXJPCG-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3conc3CC)C2)C1=O ZINC001031955894 763786444 /nfs/dbraw/zinc/78/64/44/763786444.db2.gz UUSDPVKUASOHSM-HNNXBMFYSA-N 1 1 332.404 0.686 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccnc(OC)c3)C2)CC1 ZINC001052081491 763799285 /nfs/dbraw/zinc/79/92/85/763799285.db2.gz CCSIBTNUFLXULK-KRWDZBQOSA-N 1 1 342.443 0.484 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(=O)cc3C)C2)CC1 ZINC001052081483 763799353 /nfs/dbraw/zinc/79/93/53/763799353.db2.gz MPBPITADICSXSL-MRXNPFEDSA-N 1 1 342.443 0.951 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)C2)CC1 ZINC001052082563 763801936 /nfs/dbraw/zinc/80/19/36/763801936.db2.gz UOSUQXNKGJMVEE-CABCVRRESA-N 1 1 342.447 0.572 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000941603977 763815958 /nfs/dbraw/zinc/81/59/58/763815958.db2.gz XKJFXHNBIJYVBC-VYDXJSESSA-N 1 1 346.431 0.890 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C2)CC1 ZINC001052092721 763834374 /nfs/dbraw/zinc/83/43/74/763834374.db2.gz HEVRDEIANDXXBA-HNNXBMFYSA-N 1 1 347.463 0.755 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(CC)c[nH]c3=O)C2)CC1 ZINC001052100594 763861226 /nfs/dbraw/zinc/86/12/26/763861226.db2.gz GTLGSSQRUBXORX-INIZCTEOSA-N 1 1 342.443 0.815 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C(C)C)nn3)C2)CC1 ZINC001052103108 763868339 /nfs/dbraw/zinc/86/83/39/763868339.db2.gz MITDKWRRUNQPIK-HNNXBMFYSA-N 1 1 332.452 0.877 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)CC1 ZINC001052106133 763880011 /nfs/dbraw/zinc/88/00/11/763880011.db2.gz CQMNHCBATIAESJ-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)CC1 ZINC001052106133 763880018 /nfs/dbraw/zinc/88/00/18/763880018.db2.gz CQMNHCBATIAESJ-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)CC1 ZINC001052106690 763882675 /nfs/dbraw/zinc/88/26/75/763882675.db2.gz RELICOSESHXCIH-DLBZAZTESA-N 1 1 346.475 0.239 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)CC1 ZINC001052106693 763884014 /nfs/dbraw/zinc/88/40/14/763884014.db2.gz RELICOSESHXCIH-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2nccnc2C#N)C1 ZINC001106344755 768172408 /nfs/dbraw/zinc/17/24/08/768172408.db2.gz PNSZBWNEYMEHGK-JSGCOSHPSA-N 1 1 332.408 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNc2nccnc2C#N)C1 ZINC001106344755 768172413 /nfs/dbraw/zinc/17/24/13/768172413.db2.gz PNSZBWNEYMEHGK-JSGCOSHPSA-N 1 1 332.408 0.376 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107970 763888643 /nfs/dbraw/zinc/88/86/43/763888643.db2.gz JFNDZXBRYMEJSN-QZTJIDSGSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107938 763888809 /nfs/dbraw/zinc/88/88/09/763888809.db2.gz IAOFESISDZHWLF-ZWKOTPCHSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107938 763888824 /nfs/dbraw/zinc/88/88/24/763888824.db2.gz IAOFESISDZHWLF-ZWKOTPCHSA-N 1 1 332.492 0.570 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3[nH]cnc3CC)C2)CC1 ZINC001052112159 763906513 /nfs/dbraw/zinc/90/65/13/763906513.db2.gz OFRWTTBEIDOLBU-OAHLLOKOSA-N 1 1 329.448 0.828 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2cc(C)ncc2C#N)C1 ZINC001106345062 768173878 /nfs/dbraw/zinc/17/38/78/768173878.db2.gz VPWAIHOGHNCYLW-DYVFJYSZSA-N 1 1 345.447 0.711 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2cc(C)ncc2C#N)C1 ZINC001106345062 768173884 /nfs/dbraw/zinc/17/38/84/768173884.db2.gz VPWAIHOGHNCYLW-DYVFJYSZSA-N 1 1 345.447 0.711 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113229 763910940 /nfs/dbraw/zinc/91/09/40/763910940.db2.gz PRVUEMBBKFVVDL-IAGOWNOFSA-N 1 1 334.464 0.259 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113229 763910946 /nfs/dbraw/zinc/91/09/46/763910946.db2.gz PRVUEMBBKFVVDL-IAGOWNOFSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3csc(C)n3)C2)CC1 ZINC001052115123 763919156 /nfs/dbraw/zinc/91/91/56/763919156.db2.gz SZXTZNMCFLGFLR-MRXNPFEDSA-N 1 1 332.473 0.846 20 30 ECEDMO Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052117161 763927252 /nfs/dbraw/zinc/92/72/52/763927252.db2.gz HTNLZCUUBFKUBR-OAHLLOKOSA-N 1 1 330.436 0.311 20 30 ECEDMO Cc1noc(C)c1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052117465 763928717 /nfs/dbraw/zinc/92/87/17/763928717.db2.gz PANJDXUHCGMGFM-HNNXBMFYSA-N 1 1 331.420 0.576 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)CC1 ZINC001052118288 763931932 /nfs/dbraw/zinc/93/19/32/763931932.db2.gz BLTQKATUVKJXNE-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)CC1 ZINC001052118288 763931939 /nfs/dbraw/zinc/93/19/39/763931939.db2.gz BLTQKATUVKJXNE-SJORKVTESA-N 1 1 348.491 0.792 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cncnc3CC)C2)CC1 ZINC001052118785 763933922 /nfs/dbraw/zinc/93/39/22/763933922.db2.gz XOISEOJFEBZYIW-INIZCTEOSA-N 1 1 341.459 0.894 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)CC1 ZINC001052119064 763934852 /nfs/dbraw/zinc/93/48/52/763934852.db2.gz ISNOJLJCHPTUHO-IRXDYDNUSA-N 1 1 346.475 0.239 20 30 ECEDMO CC[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)N1CCCC1=O ZINC001052119799 763938151 /nfs/dbraw/zinc/93/81/51/763938151.db2.gz WBWQCNNYQSGGAZ-CVEARBPZSA-N 1 1 347.463 0.129 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)CC1 ZINC001052123596 763949904 /nfs/dbraw/zinc/94/99/04/763949904.db2.gz JUVJACLUKINWFV-DLBZAZTESA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)CC1 ZINC001052123596 763949908 /nfs/dbraw/zinc/94/99/08/763949908.db2.gz JUVJACLUKINWFV-DLBZAZTESA-N 1 1 334.464 0.402 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001047310599 763951692 /nfs/dbraw/zinc/95/16/92/763951692.db2.gz VMPFLICOXRHZHS-MELADBBJSA-N 1 1 328.420 0.997 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)N3CCOCC3)C2)CC1 ZINC001052130572 763962514 /nfs/dbraw/zinc/96/25/14/763962514.db2.gz XZTDLGNAZQSFSA-IRXDYDNUSA-N 1 1 336.480 0.112 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)N3CCOCC3)C2)CC1 ZINC001052130572 763962521 /nfs/dbraw/zinc/96/25/21/763962521.db2.gz XZTDLGNAZQSFSA-IRXDYDNUSA-N 1 1 336.480 0.112 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001047376311 764155857 /nfs/dbraw/zinc/15/58/57/764155857.db2.gz CKMNAZGHPNNJCP-HOTGVXAUSA-N 1 1 327.388 0.166 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001047376311 764155864 /nfs/dbraw/zinc/15/58/64/764155864.db2.gz CKMNAZGHPNNJCP-HOTGVXAUSA-N 1 1 327.388 0.166 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001047380092 764168955 /nfs/dbraw/zinc/16/89/55/764168955.db2.gz YQPQCWWKTULMQU-IRXDYDNUSA-N 1 1 346.431 0.375 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001047380092 764168960 /nfs/dbraw/zinc/16/89/60/764168960.db2.gz YQPQCWWKTULMQU-IRXDYDNUSA-N 1 1 346.431 0.375 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OC(C)C)cn2)C1 ZINC001047381575 764173195 /nfs/dbraw/zinc/17/31/95/764173195.db2.gz OGZDUEUJWZXTNC-GJZGRUSLSA-N 1 1 334.420 0.957 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OC(C)C)cn2)C1 ZINC001047381575 764173197 /nfs/dbraw/zinc/17/31/97/764173197.db2.gz OGZDUEUJWZXTNC-GJZGRUSLSA-N 1 1 334.420 0.957 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047383014 764176140 /nfs/dbraw/zinc/17/61/40/764176140.db2.gz BPBGZYWVJNNADF-QZWWFDLISA-N 1 1 348.447 0.405 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047383014 764176144 /nfs/dbraw/zinc/17/61/44/764176144.db2.gz BPBGZYWVJNNADF-QZWWFDLISA-N 1 1 348.447 0.405 20 30 ECEDMO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047388000 764187317 /nfs/dbraw/zinc/18/73/17/764187317.db2.gz XBKADYALIITTKW-DWRORGKVSA-N 1 1 341.411 0.598 20 30 ECEDMO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047388000 764187320 /nfs/dbraw/zinc/18/73/20/764187320.db2.gz XBKADYALIITTKW-DWRORGKVSA-N 1 1 341.411 0.598 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC2C[NH+]([C@H]3CCN(C)C3=O)C2)cc1 ZINC001032031032 764207302 /nfs/dbraw/zinc/20/73/02/764207302.db2.gz OZLXQHSICMXTFE-KRWDZBQOSA-N 1 1 341.411 0.591 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001047398422 764215457 /nfs/dbraw/zinc/21/54/57/764215457.db2.gz NXQUXNMLNPDBKB-JYJNAYRXSA-N 1 1 335.448 0.018 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001047398422 764215462 /nfs/dbraw/zinc/21/54/62/764215462.db2.gz NXQUXNMLNPDBKB-JYJNAYRXSA-N 1 1 335.448 0.018 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001047401404 764225759 /nfs/dbraw/zinc/22/57/59/764225759.db2.gz PFFJNOWLOMEKCT-IRXDYDNUSA-N 1 1 347.390 0.925 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001047401404 764225763 /nfs/dbraw/zinc/22/57/63/764225763.db2.gz PFFJNOWLOMEKCT-IRXDYDNUSA-N 1 1 347.390 0.925 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001047403673 764233153 /nfs/dbraw/zinc/23/31/53/764233153.db2.gz KVKQIUCVPXLXKO-HOTGVXAUSA-N 1 1 332.404 0.733 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001047404746 764236501 /nfs/dbraw/zinc/23/65/01/764236501.db2.gz VAQVTGWGDAAKFP-XHSDSOJGSA-N 1 1 346.431 0.890 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn3c(c2C)OCCC3)C1 ZINC001047405810 764239734 /nfs/dbraw/zinc/23/97/34/764239734.db2.gz WDVSONKSSLMIFQ-KBPBESRZSA-N 1 1 332.404 0.114 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C3CC3)n(CC)n2)C1 ZINC001047406140 764241025 /nfs/dbraw/zinc/24/10/25/764241025.db2.gz OOTXOTHFKMQHFU-IRXDYDNUSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001047407214 764247542 /nfs/dbraw/zinc/24/75/42/764247542.db2.gz DOWHOMZVTSAQSF-GJZGRUSLSA-N 1 1 343.383 0.272 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001047408444 764252805 /nfs/dbraw/zinc/25/28/05/764252805.db2.gz YIXLFJUNSQHTTI-JQFCIGGWSA-N 1 1 328.416 0.108 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001047408444 764252809 /nfs/dbraw/zinc/25/28/09/764252809.db2.gz YIXLFJUNSQHTTI-JQFCIGGWSA-N 1 1 328.416 0.108 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001047414619 764272466 /nfs/dbraw/zinc/27/24/66/764272466.db2.gz PAGKNOOLUOKLAT-QZWWFDLISA-N 1 1 349.475 0.857 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001047414619 764272470 /nfs/dbraw/zinc/27/24/70/764272470.db2.gz PAGKNOOLUOKLAT-QZWWFDLISA-N 1 1 349.475 0.857 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001047415222 764273273 /nfs/dbraw/zinc/27/32/73/764273273.db2.gz NXPZIAWXCIHTNG-XSLAGTTESA-N 1 1 349.475 0.157 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001047415355 764274844 /nfs/dbraw/zinc/27/48/44/764274844.db2.gz VLDXHKHFYZILRY-OWSLCNJRSA-N 1 1 349.475 0.014 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001047415414 764275399 /nfs/dbraw/zinc/27/53/99/764275399.db2.gz WUPXSPOXCQAFCT-OWSLCNJRSA-N 1 1 349.475 0.014 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn3c2CCCC3)C1 ZINC001047416077 764277487 /nfs/dbraw/zinc/27/74/87/764277487.db2.gz SCCBNUDHKCIURV-IRXDYDNUSA-N 1 1 332.448 0.842 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001047420895 764292977 /nfs/dbraw/zinc/29/29/77/764292977.db2.gz UTRVLULCWUYYDN-QWRGUYRKSA-N 1 1 330.310 0.799 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001047420895 764292984 /nfs/dbraw/zinc/29/29/84/764292984.db2.gz UTRVLULCWUYYDN-QWRGUYRKSA-N 1 1 330.310 0.799 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(NC(C)=O)n2)C1 ZINC001047438657 764347487 /nfs/dbraw/zinc/34/74/87/764347487.db2.gz PMLHXOFWUIRCEL-STQMWFEESA-N 1 1 338.433 0.795 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001047442499 764360575 /nfs/dbraw/zinc/36/05/75/764360575.db2.gz FKVPXOISUDNXLH-QWRGUYRKSA-N 1 1 332.326 0.742 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001047442499 764360581 /nfs/dbraw/zinc/36/05/81/764360581.db2.gz FKVPXOISUDNXLH-QWRGUYRKSA-N 1 1 332.326 0.742 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001077479258 764368455 /nfs/dbraw/zinc/36/84/55/764368455.db2.gz ZBLJOJCXFGCYDQ-NUEKZKHPSA-N 1 1 327.384 0.297 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)CC2)cc1 ZINC001052379899 764370919 /nfs/dbraw/zinc/37/09/19/764370919.db2.gz SCXNEZLKVAOGOW-INIZCTEOSA-N 1 1 339.403 0.716 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2N2CCCC2)C1 ZINC001047446297 764371296 /nfs/dbraw/zinc/37/12/96/764371296.db2.gz ZJYNDFJPROMEDV-IRXDYDNUSA-N 1 1 342.443 0.822 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2N2CCCC2)C1 ZINC001047446297 764371301 /nfs/dbraw/zinc/37/13/01/764371301.db2.gz ZJYNDFJPROMEDV-IRXDYDNUSA-N 1 1 342.443 0.822 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3ccc(C)cc3n2)C1 ZINC001047448863 764378458 /nfs/dbraw/zinc/37/84/58/764378458.db2.gz ZOFNUXFLVXXLGO-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3ccc(C)cc3n2)C1 ZINC001047448863 764378462 /nfs/dbraw/zinc/37/84/62/764378462.db2.gz ZOFNUXFLVXXLGO-HOTGVXAUSA-N 1 1 326.400 0.783 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(N3CCCC3)ncn2)[C@@H](O)C1 ZINC001083779485 764404607 /nfs/dbraw/zinc/40/46/07/764404607.db2.gz DXWXHCXTADTHOV-CABCVRRESA-N 1 1 331.420 0.428 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001047465042 764422740 /nfs/dbraw/zinc/42/27/40/764422740.db2.gz QNAAOXYEYGKZCI-KBPBESRZSA-N 1 1 345.399 0.096 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CCCC)C1 ZINC001047470891 764436883 /nfs/dbraw/zinc/43/68/83/764436883.db2.gz FIVQJMPRQWPXCR-BBWFWOEESA-N 1 1 337.464 0.014 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CCCC)C1 ZINC001047470891 764436885 /nfs/dbraw/zinc/43/68/85/764436885.db2.gz FIVQJMPRQWPXCR-BBWFWOEESA-N 1 1 337.464 0.014 20 30 ECEDMO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047477837 764459219 /nfs/dbraw/zinc/45/92/19/764459219.db2.gz IYYDSCNKNZYQDH-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047477837 764459224 /nfs/dbraw/zinc/45/92/24/764459224.db2.gz IYYDSCNKNZYQDH-IRXDYDNUSA-N 1 1 339.399 0.907 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001047479564 764465945 /nfs/dbraw/zinc/46/59/45/764465945.db2.gz RSOCARGTAWAWKS-HOTGVXAUSA-N 1 1 335.448 0.018 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001047479564 764465950 /nfs/dbraw/zinc/46/59/50/764465950.db2.gz RSOCARGTAWAWKS-HOTGVXAUSA-N 1 1 335.448 0.018 20 30 ECEDMO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cc(C(N)=O)c[nH]3)C2)s1 ZINC001032075434 764469485 /nfs/dbraw/zinc/46/94/85/764469485.db2.gz LMQXEGHBNGATNR-UHFFFAOYSA-N 1 1 343.412 0.909 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001052427660 764470958 /nfs/dbraw/zinc/47/09/58/764470958.db2.gz BCIYVCOUQXAUMB-HNNXBMFYSA-N 1 1 343.493 0.959 20 30 ECEDMO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(n3cnnn3)CCCCC2)C1 ZINC001047483478 764481469 /nfs/dbraw/zinc/48/14/69/764481469.db2.gz MQRYXTHMUVPMRG-GJZGRUSLSA-N 1 1 348.451 0.412 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001099054266 764487203 /nfs/dbraw/zinc/48/72/03/764487203.db2.gz CCHVYCJDTDLMGX-QWHCGFSZSA-N 1 1 341.402 0.998 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001099054266 764487206 /nfs/dbraw/zinc/48/72/06/764487206.db2.gz CCHVYCJDTDLMGX-QWHCGFSZSA-N 1 1 341.402 0.998 20 30 ECEDMO CN(C(=O)Cc1cnoc1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047498346 764514086 /nfs/dbraw/zinc/51/40/86/764514086.db2.gz QSTAZAWBQXXABF-IRXDYDNUSA-N 1 1 340.383 0.792 20 30 ECEDMO CN(C(=O)Cc1cnoc1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047498346 764514093 /nfs/dbraw/zinc/51/40/93/764514093.db2.gz QSTAZAWBQXXABF-IRXDYDNUSA-N 1 1 340.383 0.792 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001047498396 764516147 /nfs/dbraw/zinc/51/61/47/764516147.db2.gz TZITVECZPUMHKB-ILXRZTDVSA-N 1 1 337.464 0.713 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001047499323 764519425 /nfs/dbraw/zinc/51/94/25/764519425.db2.gz GTXQZUIQZBKTQR-ROUUACIJSA-N 1 1 340.427 0.872 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001047501733 764528097 /nfs/dbraw/zinc/52/80/97/764528097.db2.gz STPCHDNKXHWZFY-COXVUDFISA-N 1 1 330.432 0.367 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001047501733 764528101 /nfs/dbraw/zinc/52/81/01/764528101.db2.gz STPCHDNKXHWZFY-COXVUDFISA-N 1 1 330.432 0.367 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001047502022 764529657 /nfs/dbraw/zinc/52/96/57/764529657.db2.gz ZTSDJKQFKNQXOB-WBAXXEDZSA-N 1 1 346.475 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nncn2C)CC1 ZINC001052456688 764538639 /nfs/dbraw/zinc/53/86/39/764538639.db2.gz IKATVABYZRXNMU-HOTGVXAUSA-N 1 1 344.463 0.383 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nncn2C)CC1 ZINC001052456688 764538647 /nfs/dbraw/zinc/53/86/47/764538647.db2.gz IKATVABYZRXNMU-HOTGVXAUSA-N 1 1 344.463 0.383 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001047519966 764575627 /nfs/dbraw/zinc/57/56/27/764575627.db2.gz ZQAOBYIIAWKPSY-HOTGVXAUSA-N 1 1 332.448 0.822 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)c1 ZINC001047520790 764577570 /nfs/dbraw/zinc/57/75/70/764577570.db2.gz CDDSAHAMGNQUMH-NJAFHUGGSA-N 1 1 343.427 0.607 20 30 ECEDMO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001047529502 764609883 /nfs/dbraw/zinc/60/98/83/764609883.db2.gz DRLNERCQPRAPQE-OALUTQOASA-N 1 1 343.471 0.931 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001052492781 764613550 /nfs/dbraw/zinc/61/35/50/764613550.db2.gz YQNTXOHFONJHOX-CQSZACIVSA-N 1 1 326.462 0.968 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001047532847 764616290 /nfs/dbraw/zinc/61/62/90/764616290.db2.gz PJHCZAZZDRLHMT-JHNDHUHGSA-N 1 1 332.448 0.993 20 30 ECEDMO C=CCOc1cccnc1C(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001032114872 764617906 /nfs/dbraw/zinc/61/79/06/764617906.db2.gz MCJUAZGZAHIVMF-ZDUSSCGKSA-N 1 1 346.431 0.785 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C ZINC001088959264 764617897 /nfs/dbraw/zinc/61/78/97/764617897.db2.gz UYJBYVCMZLZXTM-OLZOCXBDSA-N 1 1 336.436 0.862 20 30 ECEDMO CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047544091 764646172 /nfs/dbraw/zinc/64/61/72/764646172.db2.gz MKAVSHNAVBQOIC-IRXDYDNUSA-N 1 1 339.399 0.528 20 30 ECEDMO CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047544091 764646180 /nfs/dbraw/zinc/64/61/80/764646180.db2.gz MKAVSHNAVBQOIC-IRXDYDNUSA-N 1 1 339.399 0.528 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001089883554 764663275 /nfs/dbraw/zinc/66/32/75/764663275.db2.gz NSCFUXBTABUKHB-GUSZCTEKSA-N 1 1 340.427 0.919 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC1 ZINC001052517012 764669608 /nfs/dbraw/zinc/66/96/08/764669608.db2.gz UDCGYYPCJGBJGL-ZDUSSCGKSA-N 1 1 328.376 0.537 20 30 ECEDMO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@@H](C)F)C[C@@H]2O)nn1 ZINC001047554477 764681209 /nfs/dbraw/zinc/68/12/09/764681209.db2.gz XOWMQTAZYWUKKM-XBFCOCLRSA-N 1 1 325.388 0.329 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001052526860 764694294 /nfs/dbraw/zinc/69/42/94/764694294.db2.gz LSUUMAZIANINLG-GFCCVEGCSA-N 1 1 339.417 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC001052532031 764705194 /nfs/dbraw/zinc/70/51/94/764705194.db2.gz WCWVDTOPVDLCNT-CYBMUJFWSA-N 1 1 328.372 0.630 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001047565227 764705660 /nfs/dbraw/zinc/70/56/60/764705660.db2.gz IANFKKBUSAGHOM-KBPBESRZSA-N 1 1 345.403 0.024 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOCCCC)C[C@H]1OC ZINC001212193741 764755355 /nfs/dbraw/zinc/75/53/55/764755355.db2.gz KFDBHGBYXJROCY-INMHGKMJSA-N 1 1 328.453 0.946 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccccn3)no2)C1 ZINC001047581253 764766161 /nfs/dbraw/zinc/76/61/61/764766161.db2.gz PKANVXXJMIAEQZ-HOTGVXAUSA-N 1 1 340.383 0.877 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccccn3)no2)C1 ZINC001047581253 764766172 /nfs/dbraw/zinc/76/61/72/764766172.db2.gz PKANVXXJMIAEQZ-HOTGVXAUSA-N 1 1 340.383 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC3CC3)nn2)C1 ZINC001047581137 764766479 /nfs/dbraw/zinc/76/64/79/764766479.db2.gz KFJUXJNSGQQPEU-HOTGVXAUSA-N 1 1 333.436 0.771 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001052590321 764810257 /nfs/dbraw/zinc/81/02/57/764810257.db2.gz YERKUGAEALEIEY-AWEZNQCLSA-N 1 1 339.403 0.665 20 30 ECEDMO C=CCOCC(=O)N(C)C[C@@H](O)CN(C)c1cc(CC)[nH+]c(C)n1 ZINC001124987963 764832464 /nfs/dbraw/zinc/83/24/64/764832464.db2.gz FHERPMUFHUIYLO-HNNXBMFYSA-N 1 1 336.436 0.806 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001047603999 764855442 /nfs/dbraw/zinc/85/54/42/764855442.db2.gz DEXKXUDUVNHCFR-KBPBESRZSA-N 1 1 326.356 0.086 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001047603999 764855448 /nfs/dbraw/zinc/85/54/48/764855448.db2.gz DEXKXUDUVNHCFR-KBPBESRZSA-N 1 1 326.356 0.086 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccc[nH]3)[C@H]2C)C1=O ZINC001089052851 764901948 /nfs/dbraw/zinc/90/19/48/764901948.db2.gz AMRQALTYYKCROX-KBMXLJTQSA-N 1 1 330.432 0.923 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001047628439 764928478 /nfs/dbraw/zinc/92/84/78/764928478.db2.gz GDNBUGDYFQHMBU-GJZGRUSLSA-N 1 1 328.372 0.639 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001047628439 764928480 /nfs/dbraw/zinc/92/84/80/764928480.db2.gz GDNBUGDYFQHMBU-GJZGRUSLSA-N 1 1 328.372 0.639 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccnc3c2nnn3C)CC1 ZINC001052663461 764960375 /nfs/dbraw/zinc/96/03/75/764960375.db2.gz SGHKJYAIJQPWPM-CYBMUJFWSA-N 1 1 326.404 0.971 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)CC2)s1 ZINC001052672462 764974509 /nfs/dbraw/zinc/97/45/09/764974509.db2.gz WETXDRVCYYGTAF-BXUZGUMPSA-N 1 1 347.444 0.772 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)c1 ZINC001052693604 764998317 /nfs/dbraw/zinc/99/83/17/764998317.db2.gz LDQZFPZHOSOTBD-KRWDZBQOSA-N 1 1 340.427 0.880 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)CC2)c1 ZINC001052693605 764998818 /nfs/dbraw/zinc/99/88/18/764998818.db2.gz LDQZFPZHOSOTBD-QGZVFWFLSA-N 1 1 340.427 0.880 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3csc(=O)[nH]3)C2)C1=O ZINC001015583952 765000815 /nfs/dbraw/zinc/00/08/15/765000815.db2.gz KVFBUXYUXPMHMI-JQWIXIFHSA-N 1 1 336.417 0.440 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3csc(=O)[nH]3)C2)C1=O ZINC001015583952 765000819 /nfs/dbraw/zinc/00/08/19/765000819.db2.gz KVFBUXYUXPMHMI-JQWIXIFHSA-N 1 1 336.417 0.440 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)CCC[C@@H]12 ZINC000991975198 765021912 /nfs/dbraw/zinc/02/19/12/765021912.db2.gz OPSCMAASUJYDSE-DAYGRLMNSA-N 1 1 341.415 0.502 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCCOCC)C2)nn1 ZINC001098785434 768262687 /nfs/dbraw/zinc/26/26/87/768262687.db2.gz TYBWNOORHDSHNF-OAHLLOKOSA-N 1 1 337.424 0.380 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)CC2)nn1 ZINC001052775730 765099538 /nfs/dbraw/zinc/09/95/38/765099538.db2.gz XNPPYNJLODRJSW-AWEZNQCLSA-N 1 1 344.423 0.340 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1F ZINC001015633603 765106479 /nfs/dbraw/zinc/10/64/79/765106479.db2.gz IMEGLASHBSVZIW-JSGCOSHPSA-N 1 1 331.351 0.069 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1F ZINC001015633603 765106484 /nfs/dbraw/zinc/10/64/84/765106484.db2.gz IMEGLASHBSVZIW-JSGCOSHPSA-N 1 1 331.351 0.069 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001052784715 765116758 /nfs/dbraw/zinc/11/67/58/765116758.db2.gz WESFLEPNWXKKOM-OAHLLOKOSA-N 1 1 346.435 0.173 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001015671916 765146542 /nfs/dbraw/zinc/14/65/42/765146542.db2.gz IBQPJQUQPSBYHI-CYBMUJFWSA-N 1 1 348.447 0.864 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001015671916 765146543 /nfs/dbraw/zinc/14/65/43/765146543.db2.gz IBQPJQUQPSBYHI-CYBMUJFWSA-N 1 1 348.447 0.864 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001015676885 765147941 /nfs/dbraw/zinc/14/79/41/765147941.db2.gz QCMPNEHPTLUGJN-KBPBESRZSA-N 1 1 326.462 0.968 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001015676885 765147944 /nfs/dbraw/zinc/14/79/44/765147944.db2.gz QCMPNEHPTLUGJN-KBPBESRZSA-N 1 1 326.462 0.968 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001052830676 765193214 /nfs/dbraw/zinc/19/32/14/765193214.db2.gz IPXVLBCOYVUKNV-CABCVRRESA-N 1 1 331.420 0.532 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC001052848545 765222850 /nfs/dbraw/zinc/22/28/50/765222850.db2.gz GQSPDBYIOKEWHT-CABCVRRESA-N 1 1 331.420 0.847 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001052865375 765250903 /nfs/dbraw/zinc/25/09/03/765250903.db2.gz NBRNZBQLBOMGID-LLVKDONJSA-N 1 1 334.376 0.504 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(C)nn3CC)C2)C1=O ZINC001015744627 765261995 /nfs/dbraw/zinc/26/19/95/765261995.db2.gz JAWOICWABWKMDH-LSDHHAIUSA-N 1 1 345.447 0.802 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(C)nn3CC)C2)C1=O ZINC001015744627 765262004 /nfs/dbraw/zinc/26/20/04/765262004.db2.gz JAWOICWABWKMDH-LSDHHAIUSA-N 1 1 345.447 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)CC2)nc1 ZINC001052876645 765279573 /nfs/dbraw/zinc/27/95/73/765279573.db2.gz YNIVZMGYIUZKIE-HIFRSBDPSA-N 1 1 328.416 0.782 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001052877534 765283471 /nfs/dbraw/zinc/28/34/71/765283471.db2.gz PJZOSSBUXCEPBU-KBPBESRZSA-N 1 1 344.415 0.552 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(NC(=O)Cn3nc4ccccn4c3=O)CCC[C@@H]12 ZINC000992052484 765297911 /nfs/dbraw/zinc/29/79/11/765297911.db2.gz SLSPKQXVUYZCNO-RDTXWAMCSA-N 1 1 341.415 0.795 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001052929904 765369189 /nfs/dbraw/zinc/36/91/89/765369189.db2.gz PUSUMZZPOOFYKA-OAHLLOKOSA-N 1 1 343.493 0.264 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C2)nn1 ZINC001015810758 765369568 /nfs/dbraw/zinc/36/95/68/765369568.db2.gz QMJOGQMQEYAPAR-HIFRSBDPSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C2)nn1 ZINC001015810758 765369574 /nfs/dbraw/zinc/36/95/74/765369574.db2.gz QMJOGQMQEYAPAR-HIFRSBDPSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)cc3C)C2)nn1 ZINC001015810635 765369809 /nfs/dbraw/zinc/36/98/09/765369809.db2.gz OKHVQSOHGHRZCW-HNNXBMFYSA-N 1 1 343.435 0.782 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)nn1 ZINC001015810977 765369937 /nfs/dbraw/zinc/36/99/37/765369937.db2.gz WUTCWGGWIPUQRF-INIZCTEOSA-N 1 1 341.415 0.961 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C2)nn1 ZINC001015810757 765370155 /nfs/dbraw/zinc/37/01/55/765370155.db2.gz QMJOGQMQEYAPAR-DZGCQCFKSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C2)nn1 ZINC001015810757 765370164 /nfs/dbraw/zinc/37/01/64/765370164.db2.gz QMJOGQMQEYAPAR-DZGCQCFKSA-N 1 1 346.435 0.278 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001052988014 765465464 /nfs/dbraw/zinc/46/54/64/765465464.db2.gz RAILSRGARKLGDJ-BBRMVZONSA-N 1 1 328.416 0.816 20 30 ECEDMO CN(CCOCCNc1ccc(C#N)cn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001127233260 765466311 /nfs/dbraw/zinc/46/63/11/765466311.db2.gz NPZWSZLAIDURAK-HNNXBMFYSA-N 1 1 331.420 0.934 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccnc(C)c3)C2)C1=O ZINC001015878363 765486828 /nfs/dbraw/zinc/48/68/28/765486828.db2.gz FFZQMLIFECKZPG-HOTGVXAUSA-N 1 1 328.416 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccnc(C)c3)C2)C1=O ZINC001015878363 765486831 /nfs/dbraw/zinc/48/68/31/765486831.db2.gz FFZQMLIFECKZPG-HOTGVXAUSA-N 1 1 328.416 0.981 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001053019943 765491985 /nfs/dbraw/zinc/49/19/85/765491985.db2.gz PWJGDBQNWMZYPO-JKSUJKDBSA-N 1 1 345.447 0.958 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001053091040 765566465 /nfs/dbraw/zinc/56/64/65/765566465.db2.gz KKGSYXOYQDKVDA-HOTGVXAUSA-N 1 1 345.447 0.308 20 30 ECEDMO Cc1cc(NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C#N)cn1 ZINC001106092864 765590050 /nfs/dbraw/zinc/59/00/50/765590050.db2.gz OQTDSLPWCRVVTE-DZKIICNBSA-N 1 1 345.447 0.303 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993170098 768309879 /nfs/dbraw/zinc/30/98/79/768309879.db2.gz MRBTVXKNOYQNFD-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993170098 768309886 /nfs/dbraw/zinc/30/98/86/768309886.db2.gz MRBTVXKNOYQNFD-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001106103962 765747110 /nfs/dbraw/zinc/74/71/10/765747110.db2.gz FJJUVGMVIYNRED-SWLSCSKDSA-N 1 1 331.420 0.493 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016113995 765799102 /nfs/dbraw/zinc/79/91/02/765799102.db2.gz NYXYDASFJXUYHW-KRWDZBQOSA-N 1 1 325.412 0.680 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016113995 765799107 /nfs/dbraw/zinc/79/91/07/765799107.db2.gz NYXYDASFJXUYHW-KRWDZBQOSA-N 1 1 325.412 0.680 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@H](O)CNc1nccnc1C#N)CC(C)(C)C ZINC001106107555 765832899 /nfs/dbraw/zinc/83/28/99/765832899.db2.gz ALNWHTZQAFZTPM-LBPRGKRZSA-N 1 1 334.424 0.215 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)N1C(=O)CCC1=O)CCO2 ZINC001053275658 765883549 /nfs/dbraw/zinc/88/35/49/765883549.db2.gz QZFIJCOSPNAEJC-CQSZACIVSA-N 1 1 349.431 0.403 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2csnn2)C1 ZINC000992205144 765889587 /nfs/dbraw/zinc/88/95/87/765889587.db2.gz DCGLKOFWJCWBPA-YIZWMMSDSA-N 1 1 347.444 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)c2csnn2)C1 ZINC000992205144 765889591 /nfs/dbraw/zinc/88/95/91/765889591.db2.gz DCGLKOFWJCWBPA-YIZWMMSDSA-N 1 1 347.444 0.260 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)CCN1C(=O)CCC1=O)CCO2 ZINC001053332264 765989802 /nfs/dbraw/zinc/98/98/02/765989802.db2.gz SPMFCXRAUIAAPE-UHFFFAOYSA-N 1 1 349.431 0.405 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nnnn4CC3)CCC[C@H]12 ZINC000992250242 766057953 /nfs/dbraw/zinc/05/79/53/766057953.db2.gz OCDNBXQBMYXDFW-RVKKMQEKSA-N 1 1 342.447 0.762 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CCO2 ZINC001053392705 766073268 /nfs/dbraw/zinc/07/32/68/766073268.db2.gz FMGAGUCTIAAXDK-INIZCTEOSA-N 1 1 335.448 0.032 20 30 ECEDMO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CCO2 ZINC001053392705 766073274 /nfs/dbraw/zinc/07/32/74/766073274.db2.gz FMGAGUCTIAAXDK-INIZCTEOSA-N 1 1 335.448 0.032 20 30 ECEDMO N#CCN1CC2(C1)CN(C(=O)c1cc(C[NH+]3CCCC3)on1)CCO2 ZINC001053426193 766113142 /nfs/dbraw/zinc/11/31/42/766113142.db2.gz LBRLFJHLBVBPEP-UHFFFAOYSA-N 1 1 345.403 0.321 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3n[nH]c(C)n3)C2)CC1 ZINC001016336475 766142402 /nfs/dbraw/zinc/14/24/02/766142402.db2.gz LVPWJCIKVHCBGJ-HNNXBMFYSA-N 1 1 330.436 0.149 20 30 ECEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1CC(F)F ZINC001017768938 768356358 /nfs/dbraw/zinc/35/63/58/768356358.db2.gz LZOHIZTVMAQSHU-HZSPNIEDSA-N 1 1 329.391 0.814 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1CC(F)F ZINC001017768938 768356364 /nfs/dbraw/zinc/35/63/64/768356364.db2.gz LZOHIZTVMAQSHU-HZSPNIEDSA-N 1 1 329.391 0.814 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4n[nH]c(=O)n4c3)CCC[C@H]12 ZINC000992308088 766227650 /nfs/dbraw/zinc/22/76/50/766227650.db2.gz IPJGXDLDIALWNO-GUYCJALGSA-N 1 1 325.372 0.795 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992311392 766237974 /nfs/dbraw/zinc/23/79/74/766237974.db2.gz YLMOCTFWNPGRRE-UKRRQHHQSA-N 1 1 330.432 0.955 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2nc(C)cc3C)[C@@H](O)C1 ZINC001083690349 766342566 /nfs/dbraw/zinc/34/25/66/766342566.db2.gz OMZSOFPKUMBXJD-CABCVRRESA-N 1 1 329.404 0.697 20 30 ECEDMO CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212249068 766365519 /nfs/dbraw/zinc/36/55/19/766365519.db2.gz VQIDGOYGFWQFCU-HZPDHXFCSA-N 1 1 332.448 0.828 20 30 ECEDMO CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212249068 766365528 /nfs/dbraw/zinc/36/55/28/766365528.db2.gz VQIDGOYGFWQFCU-HZPDHXFCSA-N 1 1 332.448 0.828 20 30 ECEDMO C=CCCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001045785287 766369283 /nfs/dbraw/zinc/36/92/83/766369283.db2.gz LPPQTBOHJMZHMA-HUUCEWRRSA-N 1 1 349.475 0.620 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)O2 ZINC001053585209 766375235 /nfs/dbraw/zinc/37/52/35/766375235.db2.gz DOQJGFQHVHAQBH-KBPBESRZSA-N 1 1 343.855 0.419 20 30 ECEDMO C=C(Cl)CN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)O2 ZINC001053585209 766375240 /nfs/dbraw/zinc/37/52/40/766375240.db2.gz DOQJGFQHVHAQBH-KBPBESRZSA-N 1 1 343.855 0.419 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3n[nH]cc3c1)O2 ZINC001053615394 766439506 /nfs/dbraw/zinc/43/95/06/766439506.db2.gz LGHVZIQKEWZPCH-HNNXBMFYSA-N 1 1 339.399 0.944 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)nn1 ZINC001045862135 766441432 /nfs/dbraw/zinc/44/14/32/766441432.db2.gz RERNLHRDGFALBA-MCIONIFRSA-N 1 1 346.435 0.407 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(N)=O)nn1 ZINC001045862135 766441436 /nfs/dbraw/zinc/44/14/36/766441436.db2.gz RERNLHRDGFALBA-MCIONIFRSA-N 1 1 346.435 0.407 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC001016529852 766444123 /nfs/dbraw/zinc/44/41/23/766444123.db2.gz YWPPFIQTMVRSHS-QQFBHYJXSA-N 1 1 340.427 0.734 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@H]12 ZINC000992397242 766475516 /nfs/dbraw/zinc/47/55/16/766475516.db2.gz OCKRRDMBASSTER-GUYCJALGSA-N 1 1 332.404 0.017 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c(C)csc3n2)[C@@H](O)C1 ZINC001083694446 766499377 /nfs/dbraw/zinc/49/93/77/766499377.db2.gz ANYYKHSLIQZROE-KGLIPLIRSA-N 1 1 332.429 0.431 20 30 ECEDMO N#Cc1cc(C(=O)N2CCCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)c[nH]1 ZINC001045930853 766501808 /nfs/dbraw/zinc/50/18/08/766501808.db2.gz XGFHLFGISNXAJR-KRWDZBQOSA-N 1 1 329.404 0.690 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H](C)C(N)=O)CC3)cn1 ZINC000992407164 766504970 /nfs/dbraw/zinc/50/49/70/766504970.db2.gz JQSAKZWXCCIGPA-QITLCBANSA-N 1 1 326.400 0.664 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@@H](C)C(N)=O)CC3)cn1 ZINC000992407164 766504975 /nfs/dbraw/zinc/50/49/75/766504975.db2.gz JQSAKZWXCCIGPA-QITLCBANSA-N 1 1 326.400 0.664 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001045939752 766510246 /nfs/dbraw/zinc/51/02/46/766510246.db2.gz HXDSORSFBRSHQK-QGZVFWFLSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(=O)cc1OC)O2 ZINC001053659905 766531371 /nfs/dbraw/zinc/53/13/71/766531371.db2.gz BLKOJABAHCWNNO-ZDUSSCGKSA-N 1 1 345.399 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H]2CCNC2=O)CC3)nc1 ZINC000992424073 766541988 /nfs/dbraw/zinc/54/19/88/766541988.db2.gz RCUXSDBOINKCFG-BXWFABGCSA-N 1 1 338.411 0.678 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001053675469 766557887 /nfs/dbraw/zinc/55/78/87/766557887.db2.gz NXBOSYANHQHUTR-PMPSAXMXSA-N 1 1 338.448 0.700 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212255624 766559605 /nfs/dbraw/zinc/55/96/05/766559605.db2.gz NWSMEVRFXFYTGJ-BZUAXINKSA-N 1 1 349.475 0.768 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3cccnn31)O2 ZINC001053677456 766560640 /nfs/dbraw/zinc/56/06/40/766560640.db2.gz YUZCENLEJPEMHJ-AWEZNQCLSA-N 1 1 339.399 0.716 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn3cc[nH]c13)O2 ZINC001053690700 766597612 /nfs/dbraw/zinc/59/76/12/766597612.db2.gz RDTUSQRHMOOTSH-CYBMUJFWSA-N 1 1 327.388 0.649 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)C1 ZINC001046000444 766601434 /nfs/dbraw/zinc/60/14/34/766601434.db2.gz SFIZWNKWQCDNRK-AWEZNQCLSA-N 1 1 329.404 0.038 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC2(CC1)CN(C(C)=O)CCO2 ZINC000994733183 766614188 /nfs/dbraw/zinc/61/41/88/766614188.db2.gz WQSCZUPDYTZIBW-HFCFLWKCSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC2(CC1)CN(C(C)=O)CCO2 ZINC000994733183 766614191 /nfs/dbraw/zinc/61/41/91/766614191.db2.gz WQSCZUPDYTZIBW-HFCFLWKCSA-N 1 1 347.459 0.760 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc(C)cn3)CC2)C1 ZINC001046006257 766614917 /nfs/dbraw/zinc/61/49/17/766614917.db2.gz IECIKBQQXKRZCM-KRWDZBQOSA-N 1 1 331.464 0.986 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)CS(C)(=O)=O)CC2)C1 ZINC001046009762 766631810 /nfs/dbraw/zinc/63/18/10/766631810.db2.gz ZPHJVABRRQGFHA-HNNXBMFYSA-N 1 1 343.493 0.216 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](CCOC3CCC3)C2)CC1 ZINC001046012045 766638029 /nfs/dbraw/zinc/63/80/29/766638029.db2.gz JUWSWNKEOSDTOM-HZPDHXFCSA-N 1 1 334.464 0.934 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)Cc3nc4ncccn4n3)CCC[C@@H]12 ZINC000992470101 766646249 /nfs/dbraw/zinc/64/62/49/766646249.db2.gz ACXKBFCIFGBUTH-DYVFJYSZSA-N 1 1 326.404 0.966 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc(=O)[nH]3)CC2)C1 ZINC001046015033 766648383 /nfs/dbraw/zinc/64/83/83/766648383.db2.gz ISLMOUISKRTVMV-OAHLLOKOSA-N 1 1 328.416 0.643 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC001046020671 766663761 /nfs/dbraw/zinc/66/37/61/766663761.db2.gz WIKILERNWUBNCZ-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3N)CC2)C1 ZINC001046022482 766670247 /nfs/dbraw/zinc/67/02/47/766670247.db2.gz SHTRRFQKFLKBIL-CQSZACIVSA-N 1 1 332.452 0.411 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 ZINC001046023588 766674045 /nfs/dbraw/zinc/67/40/45/766674045.db2.gz QSSVZSWFUUAITQ-AWEZNQCLSA-N 1 1 334.420 0.387 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(NC(=O)CN3CCS(=O)(=O)CC3)CCC[C@@H]12 ZINC000992480656 766679458 /nfs/dbraw/zinc/67/94/58/766679458.db2.gz UKTBEAHGVLLIKW-ZBFHGGJFSA-N 1 1 341.477 0.016 20 30 ECEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CN3CCS(=O)(=O)CC3)CCC[C@@H]12 ZINC000992480656 766679463 /nfs/dbraw/zinc/67/94/63/766679463.db2.gz UKTBEAHGVLLIKW-ZBFHGGJFSA-N 1 1 341.477 0.016 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(Cl)cnn2C)C1 ZINC000994749693 766692434 /nfs/dbraw/zinc/69/24/34/766692434.db2.gz COTXWZQWHPFSBE-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c(Cl)cnn2C)C1 ZINC000994749693 766692440 /nfs/dbraw/zinc/69/24/40/766692440.db2.gz COTXWZQWHPFSBE-ZDUSSCGKSA-N 1 1 349.822 0.112 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2oc(C)cc2C)C1 ZINC000994750979 766695505 /nfs/dbraw/zinc/69/55/05/766695505.db2.gz KFTBZFVJDXFVJR-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2oc(C)cc2C)C1 ZINC000994750979 766695511 /nfs/dbraw/zinc/69/55/11/766695511.db2.gz KFTBZFVJDXFVJR-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnc(N(C)C)cn3)CC2)C1 ZINC001046029845 766695785 /nfs/dbraw/zinc/69/57/85/766695785.db2.gz CVCZLLVXNMGNRX-HNNXBMFYSA-N 1 1 344.463 0.561 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCOCC2)C1 ZINC000994751037 766696462 /nfs/dbraw/zinc/69/64/62/766696462.db2.gz LRKORMLKQCRSID-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCOCC2)C1 ZINC000994751037 766696465 /nfs/dbraw/zinc/69/64/65/766696465.db2.gz LRKORMLKQCRSID-HOCLYGCPSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC001046030549 766698635 /nfs/dbraw/zinc/69/86/35/766698635.db2.gz UNCKKUNFJOHJMR-MRXNPFEDSA-N 1 1 341.459 0.685 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1 ZINC001046031805 766702329 /nfs/dbraw/zinc/70/23/29/766702329.db2.gz WTPHVYUPQZFRSV-BRWVUGGUSA-N 1 1 348.491 0.696 20 30 ECEDMO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089624682 766703191 /nfs/dbraw/zinc/70/31/91/766703191.db2.gz GPCZCMVEWSIJNF-OCCSQVGLSA-N 1 1 332.408 0.010 20 30 ECEDMO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089624682 766703199 /nfs/dbraw/zinc/70/31/99/766703199.db2.gz GPCZCMVEWSIJNF-OCCSQVGLSA-N 1 1 332.408 0.010 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 ZINC001046034028 766713247 /nfs/dbraw/zinc/71/32/47/766713247.db2.gz OTVQUVUBHMDSSY-MRXNPFEDSA-N 1 1 327.432 0.295 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccn(C)n3)CC2)C1 ZINC001046034695 766715543 /nfs/dbraw/zinc/71/55/43/766715543.db2.gz XTODLFXVOLMXOO-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC001046034673 766716516 /nfs/dbraw/zinc/71/65/16/766716516.db2.gz WVMQKLQXBQEAEK-KRWDZBQOSA-N 1 1 327.432 0.261 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cncc(C(N)=O)c3)CCC[C@@H]12 ZINC000992499616 766720650 /nfs/dbraw/zinc/72/06/50/766720650.db2.gz NMVHRGASEBVJSH-QAPCUYQASA-N 1 1 326.400 0.931 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046035525 766721675 /nfs/dbraw/zinc/72/16/75/766721675.db2.gz OGEYQFIVCJKLLE-IAGOWNOFSA-N 1 1 348.491 0.697 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)C1 ZINC001046036029 766724633 /nfs/dbraw/zinc/72/46/33/766724633.db2.gz ZAHCHFXMXCNVOF-IRXDYDNUSA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)C1 ZINC001046036527 766727421 /nfs/dbraw/zinc/72/74/21/766727421.db2.gz ASQUTEKRYCZRCV-BZUAXINKSA-N 1 1 329.448 0.918 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046036527 766727423 /nfs/dbraw/zinc/72/74/23/766727423.db2.gz ASQUTEKRYCZRCV-BZUAXINKSA-N 1 1 329.448 0.918 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1 ZINC001046036527 766727424 /nfs/dbraw/zinc/72/74/24/766727424.db2.gz ASQUTEKRYCZRCV-BZUAXINKSA-N 1 1 329.448 0.918 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC001046037482 766733721 /nfs/dbraw/zinc/73/37/21/766733721.db2.gz QFFIDQSTFAGWRP-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)NC4CC4)[C@H]3C2)c1 ZINC001041998995 782576289 /nfs/dbraw/zinc/57/62/89/782576289.db2.gz CYOMLLRCHJJAPI-BBRMVZONSA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)NC4CC4)[C@H]3C2)c1 ZINC001041998995 782576290 /nfs/dbraw/zinc/57/62/90/782576290.db2.gz CYOMLLRCHJJAPI-BBRMVZONSA-N 1 1 341.415 0.701 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2C)C1 ZINC001041999077 782577178 /nfs/dbraw/zinc/57/71/78/782577178.db2.gz RJKVSKBXTQLMEO-YUELXQCFSA-N 1 1 344.419 0.010 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2C)C1 ZINC001041999077 782577187 /nfs/dbraw/zinc/57/71/87/782577187.db2.gz RJKVSKBXTQLMEO-YUELXQCFSA-N 1 1 344.419 0.010 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4nncn4C3)CCC[C@H]12 ZINC000992513470 766753031 /nfs/dbraw/zinc/75/30/31/766753031.db2.gz VUZPLAJQKPDUTO-RVKKMQEKSA-N 1 1 327.432 0.977 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc(OC)n3)CC2)C1 ZINC001046043522 766762136 /nfs/dbraw/zinc/76/21/36/766762136.db2.gz AFWHZBUMNJSPCP-OAHLLOKOSA-N 1 1 345.447 0.893 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cc(CC)nn3C)CC2)C1 ZINC001046045190 766770004 /nfs/dbraw/zinc/77/00/04/766770004.db2.gz DJXNDWHAVQBIJE-KRWDZBQOSA-N 1 1 343.475 0.377 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccccc2)C1 ZINC000994769745 766778181 /nfs/dbraw/zinc/77/81/81/766778181.db2.gz OLNRCPKLDBOTBQ-KRWDZBQOSA-N 1 1 325.412 0.654 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccccc2)C1 ZINC000994769745 766778187 /nfs/dbraw/zinc/77/81/87/766778187.db2.gz OLNRCPKLDBOTBQ-KRWDZBQOSA-N 1 1 325.412 0.654 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC001046048086 766780384 /nfs/dbraw/zinc/78/03/84/766780384.db2.gz PJPSYJGODDXYPR-QGZVFWFLSA-N 1 1 346.479 0.635 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)C1 ZINC001046049525 766782794 /nfs/dbraw/zinc/78/27/94/766782794.db2.gz QQOSVNGYDIIIRK-KRWDZBQOSA-N 1 1 343.475 0.892 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccn4nnnc4c3)CC2)C1 ZINC001046050154 766785648 /nfs/dbraw/zinc/78/56/48/766785648.db2.gz GDLFCHWZQDDVMZ-HNNXBMFYSA-N 1 1 341.419 0.142 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)C1 ZINC001046050881 766789382 /nfs/dbraw/zinc/78/93/82/766789382.db2.gz SDCHCIOHHPWURG-OAHLLOKOSA-N 1 1 345.447 0.817 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046059431 766821814 /nfs/dbraw/zinc/82/18/14/766821814.db2.gz GZFRXXCVYRAONB-SJORKVTESA-N 1 1 348.491 0.840 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046059760 766825272 /nfs/dbraw/zinc/82/52/72/766825272.db2.gz OHOILJNCKOUNDX-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046060229 766825764 /nfs/dbraw/zinc/82/57/64/766825764.db2.gz XWMOXTDXOZBCCI-JKSUJKDBSA-N 1 1 334.464 0.450 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 ZINC001046061583 766829612 /nfs/dbraw/zinc/82/96/12/766829612.db2.gz NYHZJBXVMXEQSX-QAPCUYQASA-N 1 1 334.464 0.307 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 ZINC001046061584 766829996 /nfs/dbraw/zinc/82/99/96/766829996.db2.gz NYHZJBXVMXEQSX-YJBOKZPZSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC001046067284 766859557 /nfs/dbraw/zinc/85/95/57/766859557.db2.gz WLCDBAJJYZOAQP-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)C1 ZINC001046067533 766859862 /nfs/dbraw/zinc/85/98/62/766859862.db2.gz OJIOUKHWOLIBJC-OAHLLOKOSA-N 1 1 328.416 0.561 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3nnnc3C(C)C)CC2)C1 ZINC001046068363 766863076 /nfs/dbraw/zinc/86/30/76/766863076.db2.gz KIIGCIQRWDWYAR-OAHLLOKOSA-N 1 1 347.467 0.201 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046068739 766864541 /nfs/dbraw/zinc/86/45/41/766864541.db2.gz RWNIUCXJERSVFZ-DOTOQJQBSA-N 1 1 331.464 0.993 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068739 766864550 /nfs/dbraw/zinc/86/45/50/766864550.db2.gz RWNIUCXJERSVFZ-DOTOQJQBSA-N 1 1 331.464 0.993 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068739 766864556 /nfs/dbraw/zinc/86/45/56/766864556.db2.gz RWNIUCXJERSVFZ-DOTOQJQBSA-N 1 1 331.464 0.993 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 ZINC001046070508 766874128 /nfs/dbraw/zinc/87/41/28/766874128.db2.gz OOMLIEOQEGDWIS-ROUUACIJSA-N 1 1 347.507 0.991 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3nc4ncccn4n3)CC2)C1 ZINC001046072937 766884249 /nfs/dbraw/zinc/88/42/49/766884249.db2.gz RFZOHMIRXYFIGM-CQSZACIVSA-N 1 1 341.419 0.142 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC(OC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC000994821596 766885064 /nfs/dbraw/zinc/88/50/64/766885064.db2.gz HTYXMURHDRDJNS-CZUORRHYSA-N 1 1 348.447 0.459 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)C1 ZINC001046075793 766899005 /nfs/dbraw/zinc/89/90/05/766899005.db2.gz FAVABAFQUOPMNQ-HNNXBMFYSA-N 1 1 329.448 0.539 20 30 ECEDMO CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC001046076156 766900861 /nfs/dbraw/zinc/90/08/61/766900861.db2.gz CJJPCOFDWJEMON-HNNXBMFYSA-N 1 1 343.431 0.341 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnccc3N(C)C)CC2)C1 ZINC001046076155 766901343 /nfs/dbraw/zinc/90/13/43/766901343.db2.gz JORUWIPQPXTGAJ-MRXNPFEDSA-N 1 1 341.459 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnccc3N(C)C)CC2)C1 ZINC001046076155 766901352 /nfs/dbraw/zinc/90/13/52/766901352.db2.gz JORUWIPQPXTGAJ-MRXNPFEDSA-N 1 1 341.459 0.613 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc4c([nH]3)CCC4)CC2)C1 ZINC001046076431 766902296 /nfs/dbraw/zinc/90/22/96/766902296.db2.gz FOHXUQBQMRRTJZ-MRXNPFEDSA-N 1 1 326.444 0.969 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC001046076215 766902975 /nfs/dbraw/zinc/90/29/75/766902975.db2.gz KRQLNPDRZSEJMV-DOTOQJQBSA-N 1 1 343.475 0.919 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC001046077287 766906252 /nfs/dbraw/zinc/90/62/52/766906252.db2.gz VCLMIBVQYGRQQH-RDJZCZTQSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC001046077325 766907305 /nfs/dbraw/zinc/90/73/05/766907305.db2.gz MLGXYLPGMYPMPO-MJGOQNOKSA-N 1 1 346.475 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC001046077347 766907392 /nfs/dbraw/zinc/90/73/92/766907392.db2.gz MUMDLLQRUGIBAF-CVEARBPZSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077347 766907399 /nfs/dbraw/zinc/90/73/99/766907399.db2.gz MUMDLLQRUGIBAF-CVEARBPZSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC001046077347 766907404 /nfs/dbraw/zinc/90/74/04/766907404.db2.gz MUMDLLQRUGIBAF-CVEARBPZSA-N 1 1 341.459 0.366 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c4c(nn3C)CCC4)CC2)C1 ZINC001046077504 766907609 /nfs/dbraw/zinc/90/76/09/766907609.db2.gz XKVHTQQIQMCBPH-HNNXBMFYSA-N 1 1 341.459 0.374 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3Cl)CC2)C1 ZINC001046077322 766908159 /nfs/dbraw/zinc/90/81/59/766908159.db2.gz MJMGUDFVAPUPIR-CQSZACIVSA-N 1 1 349.866 0.929 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCCN3C(N)=O)CC2)C1 ZINC001046077607 766909162 /nfs/dbraw/zinc/90/91/62/766909162.db2.gz ORKBOXSBDAHBKT-JKSUJKDBSA-N 1 1 349.479 0.324 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)cn1 ZINC001046078331 766910947 /nfs/dbraw/zinc/91/09/47/766910947.db2.gz KLMQIKMINQVMKN-SFHVURJKSA-N 1 1 342.443 0.277 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3Cl)CC2)C1 ZINC001046078572 766912075 /nfs/dbraw/zinc/91/20/75/766912075.db2.gz ZUOGUTWPPXQGCD-CYBMUJFWSA-N 1 1 335.839 0.539 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3Cc4cccnc4C3)CC2)C1 ZINC001046081561 766919365 /nfs/dbraw/zinc/91/93/65/766919365.db2.gz MDPIISYBOFOMPX-MSOLQXFVSA-N 1 1 338.455 0.648 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC001046081675 766920223 /nfs/dbraw/zinc/92/02/23/766920223.db2.gz IDQGUFOPINKCAT-KRWDZBQOSA-N 1 1 348.491 0.794 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC001046082710 766921670 /nfs/dbraw/zinc/92/16/70/766921670.db2.gz ZULOOAKBTUXNQS-IRXDYDNUSA-N 1 1 348.491 0.792 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)C1 ZINC001046088798 766931560 /nfs/dbraw/zinc/93/15/60/766931560.db2.gz VPQVQZDBHSBAGW-HOTGVXAUSA-N 1 1 349.479 0.324 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC34CCOCC4)CC2)C1 ZINC001046089820 766932050 /nfs/dbraw/zinc/93/20/50/766932050.db2.gz JKAOFVCJUCEFBI-IAGOWNOFSA-N 1 1 331.460 0.655 20 30 ECEDMO C=CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CO2 ZINC001053827042 766953717 /nfs/dbraw/zinc/95/37/17/766953717.db2.gz QEBMVFUWQRIYEM-RDJZCZTQSA-N 1 1 349.475 0.775 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(C)no3)C2)C1=O ZINC001046132219 766965254 /nfs/dbraw/zinc/96/52/54/766965254.db2.gz CIQVGXZRZLJRLZ-CXAGYDPISA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(C)no3)C2)C1=O ZINC001046132219 766965257 /nfs/dbraw/zinc/96/52/57/766965257.db2.gz CIQVGXZRZLJRLZ-CXAGYDPISA-N 1 1 332.404 0.964 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001016809625 766966310 /nfs/dbraw/zinc/96/63/10/766966310.db2.gz JCVYDORRCBFNQR-JCYILVPMSA-N 1 1 340.427 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(C(C)C)[nH]2)C1 ZINC001031741244 766989249 /nfs/dbraw/zinc/98/92/49/766989249.db2.gz USUJMYFADVRQHA-HNNXBMFYSA-N 1 1 344.463 0.574 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(C(C)C)[nH]2)C1 ZINC001031741244 766989256 /nfs/dbraw/zinc/98/92/56/766989256.db2.gz USUJMYFADVRQHA-HNNXBMFYSA-N 1 1 344.463 0.574 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c1 ZINC001083764846 766997443 /nfs/dbraw/zinc/99/74/43/766997443.db2.gz AJZLOXRSIKWPLU-MOPGFXCFSA-N 1 1 346.390 0.910 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)c1 ZINC001083764846 766997450 /nfs/dbraw/zinc/99/74/50/766997450.db2.gz AJZLOXRSIKWPLU-MOPGFXCFSA-N 1 1 346.390 0.910 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000992608303 767006017 /nfs/dbraw/zinc/00/60/17/767006017.db2.gz LPFQEPVYPUEHTG-ZDUSSCGKSA-N 1 1 343.855 0.813 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000992608303 767006028 /nfs/dbraw/zinc/00/60/28/767006028.db2.gz LPFQEPVYPUEHTG-ZDUSSCGKSA-N 1 1 343.855 0.813 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C(N)=O)c1)CO2 ZINC001053849944 767015730 /nfs/dbraw/zinc/01/57/30/767015730.db2.gz YOKMXBAUEOAGRJ-HNNXBMFYSA-N 1 1 329.400 0.935 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)CO2 ZINC001053864570 767067539 /nfs/dbraw/zinc/06/75/39/767067539.db2.gz DQQYOJKIRPNFSX-KBPBESRZSA-N 1 1 342.461 0.347 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001089704627 767102003 /nfs/dbraw/zinc/10/20/03/767102003.db2.gz WREOPDDGXKZECA-STQMWFEESA-N 1 1 334.420 0.215 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC000938755857 767106553 /nfs/dbraw/zinc/10/65/53/767106553.db2.gz ASZJTDLGMYKQDJ-PMPSAXMXSA-N 1 1 333.432 0.180 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC000938755857 767106555 /nfs/dbraw/zinc/10/65/55/767106555.db2.gz ASZJTDLGMYKQDJ-PMPSAXMXSA-N 1 1 333.432 0.180 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046247780 767107002 /nfs/dbraw/zinc/10/70/02/767107002.db2.gz JCZLSCVRKPAONE-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC001046247780 767107003 /nfs/dbraw/zinc/10/70/03/767107003.db2.gz JCZLSCVRKPAONE-WMLDXEAASA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cccnc2)C1 ZINC000938756685 767108259 /nfs/dbraw/zinc/10/82/59/767108259.db2.gz VENVMUNBTHFOHH-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cccnc2)C1 ZINC000938756685 767108260 /nfs/dbraw/zinc/10/82/60/767108260.db2.gz VENVMUNBTHFOHH-IRXDYDNUSA-N 1 1 340.427 0.852 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC000938756703 767108279 /nfs/dbraw/zinc/10/82/79/767108279.db2.gz VSNMZGLDTJGWHH-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC000938756703 767108280 /nfs/dbraw/zinc/10/82/80/767108280.db2.gz VSNMZGLDTJGWHH-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc(C)[nH]n2)C1 ZINC000938756703 767108281 /nfs/dbraw/zinc/10/82/81/767108281.db2.gz VSNMZGLDTJGWHH-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc(C)[nH]n2)C1 ZINC000938756703 767108282 /nfs/dbraw/zinc/10/82/82/767108282.db2.gz VSNMZGLDTJGWHH-HOCLYGCPSA-N 1 1 343.431 0.489 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001046253295 767110838 /nfs/dbraw/zinc/11/08/38/767110838.db2.gz UNHANGHRCCZZQJ-QGZVFWFLSA-N 1 1 341.419 0.989 20 30 ECEDMO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046252678 767110871 /nfs/dbraw/zinc/11/08/71/767110871.db2.gz GMHZAUWGSXVELF-INIZCTEOSA-N 1 1 330.392 0.106 20 30 ECEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001089735712 767136920 /nfs/dbraw/zinc/13/69/20/767136920.db2.gz OXORIECCDNVJTE-KBPBESRZSA-N 1 1 343.493 0.861 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCCC1=O ZINC001089769479 767151460 /nfs/dbraw/zinc/15/14/60/767151460.db2.gz MUNRLVYESSJUFO-HZMVEIRTSA-N 1 1 329.444 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1nccc(OC)n1 ZINC001089770729 767153394 /nfs/dbraw/zinc/15/33/94/767153394.db2.gz AUEYIXRFUNFOCQ-CABCVRRESA-N 1 1 345.447 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1nccc(OC)n1 ZINC001089770729 767153396 /nfs/dbraw/zinc/15/33/96/767153396.db2.gz AUEYIXRFUNFOCQ-CABCVRRESA-N 1 1 345.447 0.914 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1nnn(C)c1C ZINC001089788204 767180539 /nfs/dbraw/zinc/18/05/39/767180539.db2.gz JLASQLIXRDNRNJ-FZKCQIBNSA-N 1 1 327.432 0.929 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046392442 767191488 /nfs/dbraw/zinc/19/14/88/767191488.db2.gz DEMLULVKFJTFIP-XHSDSOJGSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046392442 767191490 /nfs/dbraw/zinc/19/14/90/767191490.db2.gz DEMLULVKFJTFIP-XHSDSOJGSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001046392680 767191553 /nfs/dbraw/zinc/19/15/53/767191553.db2.gz IXUKNDAJSHLCPL-VNHYZAJKSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 ZINC001046392680 767191554 /nfs/dbraw/zinc/19/15/54/767191554.db2.gz IXUKNDAJSHLCPL-VNHYZAJKSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046393497 767192157 /nfs/dbraw/zinc/19/21/57/767192157.db2.gz ZMEZNFLNESHBMV-XKQJLSEDSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046393497 767192159 /nfs/dbraw/zinc/19/21/59/767192159.db2.gz ZMEZNFLNESHBMV-XKQJLSEDSA-N 1 1 343.431 0.981 20 30 ECEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](OC)C1 ZINC001212304368 767192860 /nfs/dbraw/zinc/19/28/60/767192860.db2.gz WDOSXVOJZOXEGD-CHWSQXEVSA-N 1 1 336.440 0.823 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001046398821 767195500 /nfs/dbraw/zinc/19/55/00/767195500.db2.gz WFVIYMOTCDNNNY-ZNMIVQPWSA-N 1 1 342.447 0.951 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CC4)[C@H]3C2)c[nH]1 ZINC001042019254 782610362 /nfs/dbraw/zinc/61/03/62/782610362.db2.gz QXOODPWJTRYIMQ-WBMJQRKESA-N 1 1 341.415 0.701 20 30 ECEDMO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CC4)[C@H]3C2)c[nH]1 ZINC001042019254 782610364 /nfs/dbraw/zinc/61/03/64/782610364.db2.gz QXOODPWJTRYIMQ-WBMJQRKESA-N 1 1 341.415 0.701 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccccc1C(N)=O)CO2 ZINC001053888729 767223965 /nfs/dbraw/zinc/22/39/65/767223965.db2.gz QEHIWLCTSHKGHG-OAHLLOKOSA-N 1 1 343.427 0.864 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CS(=O)(=O)C1 ZINC001089807424 767235051 /nfs/dbraw/zinc/23/50/51/767235051.db2.gz ZKHCWELOAUFSTJ-HNKHHVNMSA-N 1 1 336.457 0.223 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cncn3C)C2)C1=O ZINC001046454419 767237066 /nfs/dbraw/zinc/23/70/66/767237066.db2.gz IQUXLNZOJKUFCX-SUMWQHHRSA-N 1 1 331.420 0.401 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cncn3C)C2)C1=O ZINC001046454419 767237067 /nfs/dbraw/zinc/23/70/67/767237067.db2.gz IQUXLNZOJKUFCX-SUMWQHHRSA-N 1 1 331.420 0.401 20 30 ECEDMO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@H]1CCC(=O)NC1 ZINC001031803913 767240209 /nfs/dbraw/zinc/24/02/09/767240209.db2.gz OIDHYTYLVZPJLV-KRWDZBQOSA-N 1 1 325.412 0.612 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001046535802 767286761 /nfs/dbraw/zinc/28/67/61/767286761.db2.gz NIZDDQDFKHANNX-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046538546 767289228 /nfs/dbraw/zinc/28/92/28/767289228.db2.gz KPVPUDLPXMDQQR-YJBOKZPZSA-N 1 1 326.400 0.775 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046538546 767289230 /nfs/dbraw/zinc/28/92/30/767289230.db2.gz KPVPUDLPXMDQQR-YJBOKZPZSA-N 1 1 326.400 0.775 20 30 ECEDMO Cn1nnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)n1 ZINC000992684238 767303440 /nfs/dbraw/zinc/30/34/40/767303440.db2.gz ZKRQZGZGZLRIQY-SOUVJXGZSA-N 1 1 328.420 0.340 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cnc2n[nH]nc2c1 ZINC001089819484 767306789 /nfs/dbraw/zinc/30/67/89/767306789.db2.gz GZHKCQNFQMYUII-AEIGPULVSA-N 1 1 336.399 0.769 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3conc3C)C2)C1=O ZINC001046590391 767342620 /nfs/dbraw/zinc/34/26/20/767342620.db2.gz JGZACEYMCAZJJH-RHSMWYFYSA-N 1 1 332.404 0.964 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3conc3C)C2)C1=O ZINC001046590391 767342628 /nfs/dbraw/zinc/34/26/28/767342628.db2.gz JGZACEYMCAZJJH-RHSMWYFYSA-N 1 1 332.404 0.964 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N ZINC001106147253 767370236 /nfs/dbraw/zinc/37/02/36/767370236.db2.gz MNVGOZXPTNHKEW-JSGCOSHPSA-N 1 1 332.408 0.112 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106147554 767371816 /nfs/dbraw/zinc/37/18/16/767371816.db2.gz QUAQVYSMPNAZTM-UKRRQHHQSA-N 1 1 349.410 0.856 20 30 ECEDMO C=CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CO2 ZINC001053924455 767373349 /nfs/dbraw/zinc/37/33/49/767373349.db2.gz UEKAXQYQTFAZCI-GJZGRUSLSA-N 1 1 330.432 0.899 20 30 ECEDMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001106157979 767422872 /nfs/dbraw/zinc/42/28/72/767422872.db2.gz MYISKEJFOHULBJ-OLZOCXBDSA-N 1 1 332.408 0.112 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001046679847 767467309 /nfs/dbraw/zinc/46/73/09/767467309.db2.gz QWNPVSPTQVSVIF-APWZRJJASA-N 1 1 341.411 0.781 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001046679847 767467313 /nfs/dbraw/zinc/46/73/13/767467313.db2.gz QWNPVSPTQVSVIF-APWZRJJASA-N 1 1 341.411 0.781 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001046686696 767483647 /nfs/dbraw/zinc/48/36/47/767483647.db2.gz AAVRSABVMZPHLL-DYVFJYSZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001046686696 767483648 /nfs/dbraw/zinc/48/36/48/767483648.db2.gz AAVRSABVMZPHLL-DYVFJYSZSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001046686695 767483872 /nfs/dbraw/zinc/48/38/72/767483872.db2.gz AAVRSABVMZPHLL-CXAGYDPISA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3nc(C)c[nH]3)C2)C1=O ZINC001046686695 767483876 /nfs/dbraw/zinc/48/38/76/767483876.db2.gz AAVRSABVMZPHLL-CXAGYDPISA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046691205 767489456 /nfs/dbraw/zinc/48/94/56/767489456.db2.gz HRIQVZAZEROJIT-AWEZNQCLSA-N 1 1 346.431 0.410 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3n[nH]nc3C1)CO2 ZINC001053981382 767523037 /nfs/dbraw/zinc/52/30/37/767523037.db2.gz JPCYYMPUZAIVBQ-KGLIPLIRSA-N 1 1 345.447 0.835 20 30 ECEDMO CN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001017085245 767567893 /nfs/dbraw/zinc/56/78/93/767567893.db2.gz AEVSNHVDVFDYND-XJKSGUPXSA-N 1 1 343.431 0.901 20 30 ECEDMO CN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001017085240 767568000 /nfs/dbraw/zinc/56/80/00/767568000.db2.gz AEVSNHVDVFDYND-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001046740350 767569171 /nfs/dbraw/zinc/56/91/71/767569171.db2.gz RXSXPLDQILYWCT-WMLDXEAASA-N 1 1 331.420 0.532 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCN(C(C)=O)CC1)CO2 ZINC001054004706 767572165 /nfs/dbraw/zinc/57/21/65/767572165.db2.gz VAXJSELUBWVSKI-MRXNPFEDSA-N 1 1 335.448 0.781 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001046753037 767590573 /nfs/dbraw/zinc/59/05/73/767590573.db2.gz OKFUFODUUQELMU-YDHLFZDLSA-N 1 1 344.419 0.294 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001046753037 767590581 /nfs/dbraw/zinc/59/05/81/767590581.db2.gz OKFUFODUUQELMU-YDHLFZDLSA-N 1 1 344.419 0.294 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046753327 767591269 /nfs/dbraw/zinc/59/12/69/767591269.db2.gz UXEIYHMCPKDAGX-RBSFLKMASA-N 1 1 329.404 0.591 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046753327 767591274 /nfs/dbraw/zinc/59/12/74/767591274.db2.gz UXEIYHMCPKDAGX-RBSFLKMASA-N 1 1 329.404 0.591 20 30 ECEDMO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001054039442 767638025 /nfs/dbraw/zinc/63/80/25/767638025.db2.gz BCIVMYSYHTZFQG-CVEARBPZSA-N 1 1 327.384 0.661 20 30 ECEDMO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001054039442 767638028 /nfs/dbraw/zinc/63/80/28/767638028.db2.gz BCIVMYSYHTZFQG-CVEARBPZSA-N 1 1 327.384 0.661 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001054043786 767642817 /nfs/dbraw/zinc/64/28/17/767642817.db2.gz KEJJETMAUDQVGZ-AYOQOUSVSA-N 1 1 341.455 0.882 20 30 ECEDMO C#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001054043786 767642820 /nfs/dbraw/zinc/64/28/20/767642820.db2.gz KEJJETMAUDQVGZ-AYOQOUSVSA-N 1 1 341.455 0.882 20 30 ECEDMO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001054048737 767647514 /nfs/dbraw/zinc/64/75/14/767647514.db2.gz HRFRFQARUGXWDR-SJORKVTESA-N 1 1 325.412 0.689 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001060476386 767686102 /nfs/dbraw/zinc/68/61/02/767686102.db2.gz JUBBRWWXEGNECW-YZVFDVFRSA-N 1 1 325.416 0.702 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC001054116336 767703723 /nfs/dbraw/zinc/70/37/23/767703723.db2.gz QHWPTJQMKHRYCF-PXAZEXFGSA-N 1 1 329.404 0.688 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017192933 767705951 /nfs/dbraw/zinc/70/59/51/767705951.db2.gz DBIYXSDZJIYDDU-CQSZACIVSA-N 1 1 344.415 0.723 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C(C)C)C[C@H](C)O2 ZINC001111533195 767713928 /nfs/dbraw/zinc/71/39/28/767713928.db2.gz FMUSPKDTXGDPDZ-HNNXBMFYSA-N 1 1 335.448 0.474 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017201263 767719511 /nfs/dbraw/zinc/71/95/11/767719511.db2.gz ZXVIJVYFMJOOGT-CYBMUJFWSA-N 1 1 332.379 0.853 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(CCOC)nn1)C2 ZINC001054129687 767723559 /nfs/dbraw/zinc/72/35/59/767723559.db2.gz XFNWDXGZOADDGG-SFHVURJKSA-N 1 1 345.447 0.876 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001054133481 767729902 /nfs/dbraw/zinc/72/99/02/767729902.db2.gz DPTYSUPLGVADPE-KRWDZBQOSA-N 1 1 346.435 0.268 20 30 ECEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001054138203 767732980 /nfs/dbraw/zinc/73/29/80/767732980.db2.gz MVHUKDOVRHTORS-INIZCTEOSA-N 1 1 326.462 0.922 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001054155127 767750088 /nfs/dbraw/zinc/75/00/88/767750088.db2.gz KGHAUQNNBKKXCP-LJQANCHMSA-N 1 1 346.475 0.098 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001054160283 767757516 /nfs/dbraw/zinc/75/75/16/767757516.db2.gz AYNOAHHUEAWZTG-SFHVURJKSA-N 1 1 346.431 0.840 20 30 ECEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1Cc3cncn3C(=O)N1)C2 ZINC001054168732 767765438 /nfs/dbraw/zinc/76/54/38/767765438.db2.gz IBLJZEHJBSZXPZ-YJBOKZPZSA-N 1 1 343.431 0.866 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001054175786 767774494 /nfs/dbraw/zinc/77/44/94/767774494.db2.gz VTFVSKDJYPWIQU-GOSISDBHSA-N 1 1 334.464 0.309 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccoc1CC(N)=O)C2 ZINC001054185516 767785065 /nfs/dbraw/zinc/78/50/65/767785065.db2.gz DEFHYUICWJIOAD-SFHVURJKSA-N 1 1 329.400 0.869 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@]3(CC[N@H+](CC(=O)NC)C3)C2)c1 ZINC001054194194 767793121 /nfs/dbraw/zinc/79/31/21/767793121.db2.gz LYLBMWJWPMJYNJ-LJQANCHMSA-N 1 1 340.427 0.737 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@]3(CC[N@H+](C[C@@H](C)O)C3)C2)nn1 ZINC001054210127 767806910 /nfs/dbraw/zinc/80/69/10/767806910.db2.gz GPNBOJBJMBXXRF-RHSMWYFYSA-N 1 1 333.436 0.773 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3n[nH]c(=O)n3c1)C2 ZINC001054214112 767811835 /nfs/dbraw/zinc/81/18/35/767811835.db2.gz RNRMYHNIZIZUGZ-SFHVURJKSA-N 1 1 339.399 0.996 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1nc(C)ccc1=O)C2 ZINC001054230780 767840908 /nfs/dbraw/zinc/84/09/08/767840908.db2.gz CFRFMPFEZSKYEY-GOSISDBHSA-N 1 1 328.416 0.499 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001054235621 767845029 /nfs/dbraw/zinc/84/50/29/767845029.db2.gz YMEMHWGYDKHJAC-HKUYNNGSSA-N 1 1 347.459 0.572 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2nccnc2C#N)C1 ZINC001106540133 768420289 /nfs/dbraw/zinc/42/02/89/768420289.db2.gz WZXVIZFNJRYCQL-HIFRSBDPSA-N 1 1 346.435 0.764 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CCNc2nccnc2C#N)C1 ZINC001106540133 768420293 /nfs/dbraw/zinc/42/02/93/768420293.db2.gz WZXVIZFNJRYCQL-HIFRSBDPSA-N 1 1 346.435 0.764 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001055147423 768607898 /nfs/dbraw/zinc/60/78/98/768607898.db2.gz PDFQRKQMBLDIMF-ILXRZTDVSA-N 1 1 337.387 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(F)cn1 ZINC001055239452 768695279 /nfs/dbraw/zinc/69/52/79/768695279.db2.gz BQEORULNXBOLSB-UGUYLWEFSA-N 1 1 343.406 0.939 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(F)cn1 ZINC001055239452 768695283 /nfs/dbraw/zinc/69/52/83/768695283.db2.gz BQEORULNXBOLSB-UGUYLWEFSA-N 1 1 343.406 0.939 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001055252236 768712356 /nfs/dbraw/zinc/71/23/56/768712356.db2.gz YYDKPULZVZJVRZ-OWCLPIDISA-N 1 1 333.432 0.037 20 30 ECEDMO C#CCNC(=O)CC(=O)N(CC)CCNc1cc(C)[nH+]c(CC)n1 ZINC001106730336 768758418 /nfs/dbraw/zinc/75/84/18/768758418.db2.gz SRIVYTVWGJSTBS-UHFFFAOYSA-N 1 1 331.420 0.747 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001055313288 768768751 /nfs/dbraw/zinc/76/87/51/768768751.db2.gz JZUGKTWATCRMPB-DAYGRLMNSA-N 1 1 337.464 0.572 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](CCNC(=O)C(F)F)CC1 ZINC001055479442 768899338 /nfs/dbraw/zinc/89/93/38/768899338.db2.gz NYJGYTDHOQCOEE-OAHLLOKOSA-N 1 1 333.379 0.275 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NC1CC[NH+](CCNC(=O)c2ccco2)CC1 ZINC001055500075 768951146 /nfs/dbraw/zinc/95/11/46/768951146.db2.gz BJHZCBMZQWJGLE-SFHVURJKSA-N 1 1 349.431 0.917 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(c1ccc(C#N)nn1)C2 ZINC001055509351 768973120 /nfs/dbraw/zinc/97/31/20/768973120.db2.gz FBRYEGDRRGDBTI-YEWWUXTCSA-N 1 1 340.431 0.918 20 30 ECEDMO CS[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055528917 769013095 /nfs/dbraw/zinc/01/30/95/769013095.db2.gz KFIPOBKHWDDIDB-VXGBXAGGSA-N 1 1 326.466 0.594 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ncn(C)c32)[C@H]1C ZINC000993425645 769048702 /nfs/dbraw/zinc/04/87/02/769048702.db2.gz DEBDFJPQNYXJKG-DGCLKSJQSA-N 1 1 327.388 0.890 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CCC(Nc3ccc(C#N)nn3)CC2)C1 ZINC001060583717 769070598 /nfs/dbraw/zinc/07/05/98/769070598.db2.gz MKFDJODSCPXJFK-PIMMBPRGSA-N 1 1 344.419 0.518 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CCC(Nc3ccc(C#N)nn3)CC2)C1 ZINC001060583717 769070608 /nfs/dbraw/zinc/07/06/08/769070608.db2.gz MKFDJODSCPXJFK-PIMMBPRGSA-N 1 1 344.419 0.518 20 30 ECEDMO C[C@H](C[C@H](C)Nc1ccncc1C#N)NC(=O)CC[NH+]1CCOCC1 ZINC001089354941 769079204 /nfs/dbraw/zinc/07/92/04/769079204.db2.gz MZRSECGKWWNEMD-LSDHHAIUSA-N 1 1 345.447 0.793 20 30 ECEDMO Cc1ncoc1C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055555733 769104472 /nfs/dbraw/zinc/10/44/72/769104472.db2.gz ZANAKUGRPAILSP-LLVKDONJSA-N 1 1 333.392 0.453 20 30 ECEDMO Cn1cnc(C(=O)NCC[NH+]2CCC(NC(=O)C#CC3CC3)CC2)c1 ZINC001055560858 769116546 /nfs/dbraw/zinc/11/65/46/769116546.db2.gz XVEDMDHOKNQJBP-UHFFFAOYSA-N 1 1 343.431 0.144 20 30 ECEDMO C#CCCCC(=O)NCCN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055567583 769132730 /nfs/dbraw/zinc/13/27/30/769132730.db2.gz HLMWBRGTDMQAMZ-UHFFFAOYSA-N 1 1 336.480 0.438 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2cn(C)nn2)CC1 ZINC001055570168 769141322 /nfs/dbraw/zinc/14/13/22/769141322.db2.gz GJDXGUJUFJSRFV-UHFFFAOYSA-N 1 1 334.424 0.092 20 30 ECEDMO CC(C)C#CC(=O)NCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055572298 769148499 /nfs/dbraw/zinc/14/84/99/769148499.db2.gz CATQAXLECRSFQH-MRXNPFEDSA-N 1 1 348.491 0.294 20 30 ECEDMO CC(C)C#CC(=O)NCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055572298 769148505 /nfs/dbraw/zinc/14/85/05/769148505.db2.gz CATQAXLECRSFQH-MRXNPFEDSA-N 1 1 348.491 0.294 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CC)CC2)C1 ZINC001018371606 769229267 /nfs/dbraw/zinc/22/92/67/769229267.db2.gz GQQXELXZGRPXFU-ZACQAIPSSA-N 1 1 349.475 0.980 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2csnn2)CC1 ZINC001055602052 769232885 /nfs/dbraw/zinc/23/28/85/769232885.db2.gz NITGPLQDGABGQJ-UHFFFAOYSA-N 1 1 337.449 0.815 20 30 ECEDMO C=CCCC(=O)NC1CC[NH+](CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001055606917 769243086 /nfs/dbraw/zinc/24/30/86/769243086.db2.gz OFGVPSZYXRAQCQ-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO C=CCCC(=O)NC1CCN(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001055606917 769243102 /nfs/dbraw/zinc/24/31/02/769243102.db2.gz OFGVPSZYXRAQCQ-UHFFFAOYSA-N 1 1 338.496 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@@H]1C ZINC000993585140 769301304 /nfs/dbraw/zinc/30/13/04/769301304.db2.gz KYLDQERGXHTDLI-XJKSGUPXSA-N 1 1 329.400 0.767 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001055632331 769306437 /nfs/dbraw/zinc/30/64/37/769306437.db2.gz SAJNCSQCCAEBBO-LSDHHAIUSA-N 1 1 349.479 0.185 20 30 ECEDMO C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055632331 769306446 /nfs/dbraw/zinc/30/64/46/769306446.db2.gz SAJNCSQCCAEBBO-LSDHHAIUSA-N 1 1 349.479 0.185 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3sccn3c2=O)[C@H]1C ZINC000993554276 769309988 /nfs/dbraw/zinc/30/99/88/769309988.db2.gz CHEKSVQCTPPGEP-DGCLKSJQSA-N 1 1 330.413 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC000993585797 769310655 /nfs/dbraw/zinc/31/06/55/769310655.db2.gz DDFKKHOUACERRN-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001055645220 769336043 /nfs/dbraw/zinc/33/60/43/769336043.db2.gz ONLIZEBJDUCDJS-CABCVRRESA-N 1 1 349.479 0.327 20 30 ECEDMO C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001055645220 769336055 /nfs/dbraw/zinc/33/60/55/769336055.db2.gz ONLIZEBJDUCDJS-CABCVRRESA-N 1 1 349.479 0.327 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C ZINC000993570667 769339026 /nfs/dbraw/zinc/33/90/26/769339026.db2.gz QBPGYWRLKULQKK-NWDGAFQWSA-N 1 1 339.417 0.533 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001018545459 769488984 /nfs/dbraw/zinc/48/89/84/769488984.db2.gz ATAJAOWGJRCXEQ-JKSUJKDBSA-N 1 1 333.363 0.803 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@@H]1C ZINC000993703744 769537481 /nfs/dbraw/zinc/53/74/81/769537481.db2.gz NXEGPRAIGVRHAL-GXTWGEPZSA-N 1 1 326.404 0.969 20 30 ECEDMO CS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001018586548 769576703 /nfs/dbraw/zinc/57/67/03/769576703.db2.gz VDKBDZMLYQZIDF-AWEZNQCLSA-N 1 1 339.392 0.432 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001078357788 782765270 /nfs/dbraw/zinc/76/52/70/782765270.db2.gz BRFZKRPYHAXAFE-DGCLKSJQSA-N 1 1 332.408 0.549 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001078358162 782767378 /nfs/dbraw/zinc/76/73/78/782767378.db2.gz KMWXWWREZJLDKR-OLZOCXBDSA-N 1 1 338.387 0.114 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC001078358866 782769791 /nfs/dbraw/zinc/76/97/91/782769791.db2.gz XRKGTMDGHNEZTL-HIFRSBDPSA-N 1 1 348.451 0.900 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cocn2)[C@H](C)C1 ZINC000993826996 769690470 /nfs/dbraw/zinc/69/04/70/769690470.db2.gz QYEOVLWFXWQZSS-FMKPAKJESA-N 1 1 344.415 0.597 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cocn2)[C@H](C)C1 ZINC000993826996 769690477 /nfs/dbraw/zinc/69/04/77/769690477.db2.gz QYEOVLWFXWQZSS-FMKPAKJESA-N 1 1 344.415 0.597 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)cn1 ZINC000993830066 769698660 /nfs/dbraw/zinc/69/86/60/769698660.db2.gz JFYRUFXDFGSTGP-OKILXGFUSA-N 1 1 340.427 0.876 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)c1 ZINC001018683012 769756133 /nfs/dbraw/zinc/75/61/33/769756133.db2.gz UXKIPYDDOAZKGA-LBPRGKRZSA-N 1 1 325.376 0.886 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001018707886 769790357 /nfs/dbraw/zinc/79/03/57/769790357.db2.gz SDAZIMYUNMUWIN-WBMJQRKESA-N 1 1 344.390 0.914 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC001018750947 769867091 /nfs/dbraw/zinc/86/70/91/769867091.db2.gz ZQOMQFVOZVCDOW-HOTGVXAUSA-N 1 1 345.443 0.324 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC001018750947 769867105 /nfs/dbraw/zinc/86/71/05/769867105.db2.gz ZQOMQFVOZVCDOW-HOTGVXAUSA-N 1 1 345.443 0.324 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cnn(C)c3)[C@H]2C)nn1 ZINC000993941164 769915182 /nfs/dbraw/zinc/91/51/82/769915182.db2.gz ACCJSFCJOSTIAM-ZFWWWQNUSA-N 1 1 343.435 0.981 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnn(C)c3)[C@H]2C)nn1 ZINC000993941164 769915192 /nfs/dbraw/zinc/91/51/92/769915192.db2.gz ACCJSFCJOSTIAM-ZFWWWQNUSA-N 1 1 343.435 0.981 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001055839026 769923966 /nfs/dbraw/zinc/92/39/66/769923966.db2.gz YPZHJXKFVFYVTR-QAPCUYQASA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]21 ZINC001042114269 782794970 /nfs/dbraw/zinc/79/49/70/782794970.db2.gz IXGNTVBUXJRBGJ-DLBZAZTESA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CN3CCOCC3)C[C@H]21 ZINC001042114269 782794978 /nfs/dbraw/zinc/79/49/78/782794978.db2.gz IXGNTVBUXJRBGJ-DLBZAZTESA-N 1 1 333.476 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CN3CCOCC3)C[C@H]21 ZINC001042114269 782794980 /nfs/dbraw/zinc/79/49/80/782794980.db2.gz IXGNTVBUXJRBGJ-DLBZAZTESA-N 1 1 333.476 0.901 20 30 ECEDMO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001055910428 770179531 /nfs/dbraw/zinc/17/95/31/770179531.db2.gz OHGLTIIMHPQLCW-APWZRJJASA-N 1 1 349.475 0.601 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C ZINC000994169739 770242705 /nfs/dbraw/zinc/24/27/05/770242705.db2.gz BMMGSAOFRXCYCN-KGLIPLIRSA-N 1 1 333.436 0.536 20 30 ECEDMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCCO2)[nH]1 ZINC001078384310 782821852 /nfs/dbraw/zinc/82/18/52/782821852.db2.gz SXUZEFAYXZUNRY-CQSZACIVSA-N 1 1 343.391 0.334 20 30 ECEDMO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001055934017 770274830 /nfs/dbraw/zinc/27/48/30/770274830.db2.gz ZXLLGLJYLDDPHI-APWZRJJASA-N 1 1 349.475 0.457 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938688 770290873 /nfs/dbraw/zinc/29/08/73/770290873.db2.gz KFCRMSHECGWHQY-KXBFYZLASA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000994200325 770291313 /nfs/dbraw/zinc/29/13/13/770291313.db2.gz KIBBCEABNCQMPT-DZGCQCFKSA-N 1 1 330.432 0.812 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055939135 770293418 /nfs/dbraw/zinc/29/34/18/770293418.db2.gz SDTSOINLXNJYSV-SFHVURJKSA-N 1 1 344.415 0.075 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@](CO)(NC(=O)C#CC3CC3)C2)C1 ZINC001055939304 770294267 /nfs/dbraw/zinc/29/42/67/770294267.db2.gz WPQNCDKGSMMGBX-HNAYVOBHSA-N 1 1 347.459 0.211 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC000994212618 770317734 /nfs/dbraw/zinc/31/77/34/770317734.db2.gz QFIAJAZRJORFPA-VXGBXAGGSA-N 1 1 330.392 0.576 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C ZINC000994216368 770323034 /nfs/dbraw/zinc/32/30/34/770323034.db2.gz VGTSSUNQPDFKNJ-RYUDHWBXSA-N 1 1 328.376 0.024 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(C(=O)C#CC3CC3)C2)CC[N@H+]1C ZINC001055967744 770393685 /nfs/dbraw/zinc/39/36/85/770393685.db2.gz VDPFFNKDYLEGIK-OGWOLHLISA-N 1 1 347.459 0.210 20 30 ECEDMO C=C(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055972502 770407389 /nfs/dbraw/zinc/40/73/89/770407389.db2.gz FOGMRHARVIJYMU-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001106866495 770412326 /nfs/dbraw/zinc/41/23/26/770412326.db2.gz WWOWGGIDTMOYFC-CYBMUJFWSA-N 1 1 339.403 0.805 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001018972609 770437204 /nfs/dbraw/zinc/43/72/04/770437204.db2.gz FUYQWXMPQHARHN-OLZOCXBDSA-N 1 1 329.408 0.763 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001055988170 770464950 /nfs/dbraw/zinc/46/49/50/770464950.db2.gz YLHIXFJPDIONDY-IBGZPJMESA-N 1 1 349.475 0.600 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(c3nccnc3C#N)CC2)C1 ZINC001055992230 770481382 /nfs/dbraw/zinc/48/13/82/770481382.db2.gz TZIXFVHOSSGMPE-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(c3nccnc3C#N)CC2)C1 ZINC001055992230 770481391 /nfs/dbraw/zinc/48/13/91/770481391.db2.gz TZIXFVHOSSGMPE-HNNXBMFYSA-N 1 1 344.419 0.106 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nn(C)cc2Cl)C1 ZINC001018985956 770483272 /nfs/dbraw/zinc/48/32/72/770483272.db2.gz NVUBBMQLFOHZCX-BBRMVZONSA-N 1 1 349.866 0.862 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2nn(C)cc2Cl)C1 ZINC001018985956 770483279 /nfs/dbraw/zinc/48/32/79/770483279.db2.gz NVUBBMQLFOHZCX-BBRMVZONSA-N 1 1 349.866 0.862 20 30 ECEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C ZINC000994328847 770624287 /nfs/dbraw/zinc/62/42/87/770624287.db2.gz OMWMFZVAEDFFRM-UKRRQHHQSA-N 1 1 335.452 0.826 20 30 ECEDMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC(C)(C)C1 ZINC001089365446 770689689 /nfs/dbraw/zinc/68/96/89/770689689.db2.gz SJGJCPYJHSUUOC-AAEUAGOBSA-N 1 1 331.420 0.981 20 30 ECEDMO CC#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001056058115 770701637 /nfs/dbraw/zinc/70/16/37/770701637.db2.gz DOFLWOYPRCSDHO-LPHOPBHVSA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC001019169421 770984789 /nfs/dbraw/zinc/98/47/89/770984789.db2.gz SGEGEINMNCPOKN-INIZCTEOSA-N 1 1 329.444 0.945 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2CN(Cc3ccc(OCC#N)cc3)C2)C1 ZINC001031384045 770994650 /nfs/dbraw/zinc/99/46/50/770994650.db2.gz UTVPKSMEMKDZBU-OAHLLOKOSA-N 1 1 328.416 0.841 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)C[C@H]21 ZINC001042172363 782888299 /nfs/dbraw/zinc/88/82/99/782888299.db2.gz FDGXTJSWPVZRBF-UKRRQHHQSA-N 1 1 344.415 0.685 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)C1 ZINC001056253584 771045543 /nfs/dbraw/zinc/04/55/43/771045543.db2.gz LPBQHRXALVTWGF-CTNYNGJSSA-N 1 1 325.416 0.846 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001019254141 771066142 /nfs/dbraw/zinc/06/61/42/771066142.db2.gz ASZKLXUGFIMSJA-CQSZACIVSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001019254141 771066148 /nfs/dbraw/zinc/06/61/48/771066148.db2.gz ASZKLXUGFIMSJA-CQSZACIVSA-N 1 1 335.448 0.590 20 30 ECEDMO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001031439135 771073867 /nfs/dbraw/zinc/07/38/67/771073867.db2.gz CKVXKTBHJJQUTF-HZPDHXFCSA-N 1 1 334.464 0.448 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)CC(C)(C)C1 ZINC001089408666 771088396 /nfs/dbraw/zinc/08/83/96/771088396.db2.gz DOXPIYDIFQHDAA-HOTGVXAUSA-N 1 1 348.491 0.437 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001056305165 771098098 /nfs/dbraw/zinc/09/80/98/771098098.db2.gz BKUAYPMOXQTBKS-ARFHVFGLSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1c[nH+]cc1C ZINC001056314239 771111013 /nfs/dbraw/zinc/11/10/13/771111013.db2.gz LIMFGDFOVUCHQF-CVEARBPZSA-N 1 1 346.431 0.986 20 30 ECEDMO C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001056314679 771111188 /nfs/dbraw/zinc/11/11/88/771111188.db2.gz RCVSXZJFZFWCLB-ARFHVFGLSA-N 1 1 335.448 0.733 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H](C)C#N)C3)C1 ZINC001019316345 771145358 /nfs/dbraw/zinc/14/53/58/771145358.db2.gz LMUJHYJYWQWPFU-CABCVRRESA-N 1 1 348.447 0.316 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042182298 782903830 /nfs/dbraw/zinc/90/38/30/782903830.db2.gz DLYNEMUXDVGOOG-UONOGXRCSA-N 1 1 340.855 0.094 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042182298 782903836 /nfs/dbraw/zinc/90/38/36/782903836.db2.gz DLYNEMUXDVGOOG-UONOGXRCSA-N 1 1 340.855 0.094 20 30 ECEDMO CN(CCOCCNc1nccnc1C#N)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001127442799 771208938 /nfs/dbraw/zinc/20/89/38/771208938.db2.gz CKIZATLXIVJTCS-HNNXBMFYSA-N 1 1 346.435 0.719 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001019366915 771211973 /nfs/dbraw/zinc/21/19/73/771211973.db2.gz LVPUDJWRAWMKPU-ZIAGYGMSSA-N 1 1 341.415 0.981 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C[N@H+](C)CCC ZINC001056401818 771227173 /nfs/dbraw/zinc/22/71/73/771227173.db2.gz LAKHTGDZJXTMTA-SJORKVTESA-N 1 1 349.475 0.960 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccccc3O)C2)C1=O ZINC001031554474 771270668 /nfs/dbraw/zinc/27/06/68/771270668.db2.gz XMYKIJRFQLYYRA-HNNXBMFYSA-N 1 1 329.400 0.841 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ncc(C#N)cc4F)C[C@H]32)CC[N@H+]1C ZINC001056444428 771276279 /nfs/dbraw/zinc/27/62/79/771276279.db2.gz HGUFNGVLHPZUBM-UYLCMAPUSA-N 1 1 343.406 0.983 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cncnc3C)C2)C1=O ZINC001031560845 771287613 /nfs/dbraw/zinc/28/76/13/771287613.db2.gz STKXMZKBVGSHDJ-OAHLLOKOSA-N 1 1 329.404 0.234 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)C#CC2CC2)C3)C1 ZINC001019441223 771288248 /nfs/dbraw/zinc/28/82/48/771288248.db2.gz GSAJUJWNJTZOTQ-HNNXBMFYSA-N 1 1 329.444 0.803 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cccc(F)n3)C[C@H]21 ZINC001056467569 771305363 /nfs/dbraw/zinc/30/53/63/771305363.db2.gz ULDPTHNYRFJZBD-QDEZUTFSSA-N 1 1 328.391 0.869 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cccc(F)n3)C[C@H]21 ZINC001056467569 771305369 /nfs/dbraw/zinc/30/53/69/771305369.db2.gz ULDPTHNYRFJZBD-QDEZUTFSSA-N 1 1 328.391 0.869 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC(Nc1ccnc(C#N)n1)C2 ZINC001056511711 771345099 /nfs/dbraw/zinc/34/50/99/771345099.db2.gz VJFMDPAPGGQWHB-VYWJUGDHSA-N 1 1 340.431 0.704 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3csnc3OC)C2)nn1 ZINC001019481986 771345464 /nfs/dbraw/zinc/34/54/64/771345464.db2.gz BJMRLRVYCLRZDG-LBPRGKRZSA-N 1 1 348.432 0.934 20 30 ECEDMO CO[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C#CC(C)C ZINC001212241034 771357715 /nfs/dbraw/zinc/35/77/15/771357715.db2.gz IIHFDMCIEACTKK-RBSFLKMASA-N 1 1 331.420 0.240 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001060732516 771362180 /nfs/dbraw/zinc/36/21/80/771362180.db2.gz LRGDBBBUBNKMEN-QAETUUGQSA-N 1 1 349.475 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC001031604988 771407602 /nfs/dbraw/zinc/40/76/02/771407602.db2.gz WZRLKOQILPJXER-OAHLLOKOSA-N 1 1 327.388 0.335 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC(C)(C)C1 ZINC001089551039 771462739 /nfs/dbraw/zinc/46/27/39/771462739.db2.gz CKIZBTBCHLEULW-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)CC(C)(C)C1 ZINC001089559936 771487996 /nfs/dbraw/zinc/48/79/96/771487996.db2.gz UNSHHTJLCOFGKS-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001056668686 771493811 /nfs/dbraw/zinc/49/38/11/771493811.db2.gz GBWPMYLNMAALJI-JKSUJKDBSA-N 1 1 346.431 0.844 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001056668730 771494458 /nfs/dbraw/zinc/49/44/58/771494458.db2.gz HNGLOEQAPMBYQB-HRCADAONSA-N 1 1 335.448 0.590 20 30 ECEDMO CC(C)(C)N1CC[C@H]([NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001031622828 771502351 /nfs/dbraw/zinc/50/23/51/771502351.db2.gz JFFNZOUNTHJNOX-HNNXBMFYSA-N 1 1 343.431 0.947 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](Nc3ccnc(C#N)n3)C2)C1 ZINC001056715252 771545618 /nfs/dbraw/zinc/54/56/18/771545618.db2.gz LXZDFGCUURTYPJ-LSDHHAIUSA-N 1 1 342.447 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CCC)CCCO1 ZINC001019611374 771593062 /nfs/dbraw/zinc/59/30/62/771593062.db2.gz HIRKIRBITRWPRZ-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CCC)CCCO1 ZINC001019611374 771593068 /nfs/dbraw/zinc/59/30/68/771593068.db2.gz HIRKIRBITRWPRZ-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)cc1C#N ZINC001019629257 771629850 /nfs/dbraw/zinc/62/98/50/771629850.db2.gz IVAQXWPDEUQROK-AWEZNQCLSA-N 1 1 340.387 0.618 20 30 ECEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042210500 782943061 /nfs/dbraw/zinc/94/30/61/782943061.db2.gz JYFFQYMNQLLZID-HIFRSBDPSA-N 1 1 342.399 0.475 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042210500 782943065 /nfs/dbraw/zinc/94/30/65/782943065.db2.gz JYFFQYMNQLLZID-HIFRSBDPSA-N 1 1 342.399 0.475 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)O1 ZINC001056812218 771675929 /nfs/dbraw/zinc/67/59/29/771675929.db2.gz PJDFRLBWQUYISR-YRGRVCCFSA-N 1 1 330.392 0.080 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)O1 ZINC001056812218 771675932 /nfs/dbraw/zinc/67/59/32/771675932.db2.gz PJDFRLBWQUYISR-YRGRVCCFSA-N 1 1 330.392 0.080 20 30 ECEDMO Cc1nc(N(C)[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1C#N ZINC001056879836 771757002 /nfs/dbraw/zinc/75/70/02/771757002.db2.gz NRPUEDZWTHWIGY-CVEARBPZSA-N 1 1 343.431 0.629 20 30 ECEDMO Cc1nc(N(C)[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1C#N ZINC001056879836 771757006 /nfs/dbraw/zinc/75/70/06/771757006.db2.gz NRPUEDZWTHWIGY-CVEARBPZSA-N 1 1 343.431 0.629 20 30 ECEDMO CN(C[C@H]1CCCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001019757926 771765970 /nfs/dbraw/zinc/76/59/70/771765970.db2.gz RHMGDJKVHDLWQH-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C[C@H]1CCCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001019757926 771765974 /nfs/dbraw/zinc/76/59/74/771765974.db2.gz RHMGDJKVHDLWQH-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001056941521 771839089 /nfs/dbraw/zinc/83/90/89/771839089.db2.gz BMWKLNIUEKDYRC-ZFWWWQNUSA-N 1 1 328.420 0.727 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC)[C@H]3C2)c1 ZINC001042234722 782964980 /nfs/dbraw/zinc/96/49/80/782964980.db2.gz XVCWZUVDXVKWPT-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC)[C@H]3C2)c1 ZINC001042234722 782964986 /nfs/dbraw/zinc/96/49/86/782964986.db2.gz XVCWZUVDXVKWPT-ZBFHGGJFSA-N 1 1 326.400 0.345 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001020084608 772138693 /nfs/dbraw/zinc/13/86/93/772138693.db2.gz LIAGQWAAYWKVTQ-HAQNSBGRSA-N 1 1 328.380 0.504 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N2CCCN(c3ccnc(C#N)n3)CC2)C1 ZINC001057157295 772188029 /nfs/dbraw/zinc/18/80/29/772188029.db2.gz COSKTVUJYXYQJH-CQSZACIVSA-N 1 1 328.420 0.729 20 30 ECEDMO C=C1CCC(C(=O)N2CCCO[C@@H](C[NH2+]Cc3nnnn3C)C2)CC1 ZINC001078459846 782986461 /nfs/dbraw/zinc/98/64/61/782986461.db2.gz DLDJNVDCRHZUDC-HNNXBMFYSA-N 1 1 348.451 0.664 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001057171243 772211872 /nfs/dbraw/zinc/21/18/72/772211872.db2.gz TXFKXRYUOKZWCT-AWEZNQCLSA-N 1 1 334.420 0.664 20 30 ECEDMO C[C@@H](CCNC(=O)C[N@H+]1CCC[C@@H]1C)NC(=O)c1c[nH]c(C#N)c1 ZINC001078465846 782998854 /nfs/dbraw/zinc/99/88/54/782998854.db2.gz LNEXLHGPFGYYPC-STQMWFEESA-N 1 1 331.420 0.995 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(=O)N(C)C)[C@@H]3C2)nn1 ZINC001042263641 783002045 /nfs/dbraw/zinc/00/20/45/783002045.db2.gz WVBZFAKLGFDJJJ-DZGCQCFKSA-N 1 1 346.435 0.089 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N(C)C)[C@@H]3C2)nn1 ZINC001042263641 783002050 /nfs/dbraw/zinc/00/20/50/783002050.db2.gz WVBZFAKLGFDJJJ-DZGCQCFKSA-N 1 1 346.435 0.089 20 30 ECEDMO C[N@@H+](CC(=O)N1CCCN(c2ccc(C#N)nn2)CC1)C1CCC1 ZINC001057251524 772345078 /nfs/dbraw/zinc/34/50/78/772345078.db2.gz OHDMAXYCWVFIIH-UHFFFAOYSA-N 1 1 328.420 0.871 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2C)[C@H]1C ZINC001020247130 772345690 /nfs/dbraw/zinc/34/56/90/772345690.db2.gz AMYQWCNOCJPOPF-KKUMJFAQSA-N 1 1 343.431 0.535 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2C)[C@H]1C ZINC001020247130 772345697 /nfs/dbraw/zinc/34/56/97/772345697.db2.gz AMYQWCNOCJPOPF-KKUMJFAQSA-N 1 1 343.431 0.535 20 30 ECEDMO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001020271371 772379876 /nfs/dbraw/zinc/37/98/76/772379876.db2.gz QINXZKIUULDZTR-YUTCNCBUSA-N 1 1 329.404 0.557 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccncc3C#N)CC2)C1 ZINC001057337533 772483343 /nfs/dbraw/zinc/48/33/43/772483343.db2.gz VUHWINSMLJZGTK-QGZVFWFLSA-N 1 1 343.431 0.499 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3ccncc3C#N)CC2)C1 ZINC001057337533 772483350 /nfs/dbraw/zinc/48/33/50/772483350.db2.gz VUHWINSMLJZGTK-QGZVFWFLSA-N 1 1 343.431 0.499 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1(C)C ZINC001057366824 772526801 /nfs/dbraw/zinc/52/68/01/772526801.db2.gz GWTYXGPLWCCYOZ-GJZGRUSLSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC1(C)C ZINC001057366824 772526806 /nfs/dbraw/zinc/52/68/06/772526806.db2.gz GWTYXGPLWCCYOZ-GJZGRUSLSA-N 1 1 335.448 0.067 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001057391005 772559843 /nfs/dbraw/zinc/55/98/43/772559843.db2.gz YGQKEDAKKOACQN-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(Nc2ccncc2C#N)CC1 ZINC001057426713 772601313 /nfs/dbraw/zinc/60/13/13/772601313.db2.gz FFIZELXAJQLXGW-BBRMVZONSA-N 1 1 327.432 0.976 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001057445017 772621751 /nfs/dbraw/zinc/62/17/51/772621751.db2.gz CMSXRDDTNYZERJ-OAHLLOKOSA-N 1 1 346.431 0.501 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540211 772735394 /nfs/dbraw/zinc/73/53/94/772735394.db2.gz LBPCYRUSMBTWCS-GJZGRUSLSA-N 1 1 337.464 0.171 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C)CC[N@H+]1C ZINC001057540762 772736506 /nfs/dbraw/zinc/73/65/06/772736506.db2.gz DTVONIKDAYNNTR-HUUCEWRRSA-N 1 1 337.464 0.313 20 30 ECEDMO Cc1cc(N[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001057603011 772802151 /nfs/dbraw/zinc/80/21/51/772802151.db2.gz ZZHCVEXDBPUSPS-DOTOQJQBSA-N 1 1 343.431 0.417 20 30 ECEDMO Cc1cc(N[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001057603011 772802154 /nfs/dbraw/zinc/80/21/54/772802154.db2.gz ZZHCVEXDBPUSPS-DOTOQJQBSA-N 1 1 343.431 0.417 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057652965 772868780 /nfs/dbraw/zinc/86/87/80/772868780.db2.gz JOATXKILLMSMGI-ZDUSSCGKSA-N 1 1 325.376 0.378 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001057695079 772919536 /nfs/dbraw/zinc/91/95/36/772919536.db2.gz XETKYMKUVVZHCH-HNNXBMFYSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001057695081 772919545 /nfs/dbraw/zinc/91/95/45/772919545.db2.gz XETKYMKUVVZHCH-OAHLLOKOSA-N 1 1 339.480 0.868 20 30 ECEDMO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001057695083 772919563 /nfs/dbraw/zinc/91/95/63/772919563.db2.gz XFHUMWIOOHFYLD-UHFFFAOYSA-N 1 1 327.469 0.868 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H](Nc2nccnc2C#N)C1 ZINC001057719504 772943187 /nfs/dbraw/zinc/94/31/87/772943187.db2.gz NALHPLXAPDVALQ-ZDUSSCGKSA-N 1 1 325.376 0.956 20 30 ECEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001057742361 772959004 /nfs/dbraw/zinc/95/90/04/772959004.db2.gz AOBWUADAHZMBME-UONOGXRCSA-N 1 1 349.435 0.493 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(c3nccnc3C#N)CC2)C1 ZINC001057791329 772986789 /nfs/dbraw/zinc/98/67/89/772986789.db2.gz IWTWGNNOHLEKDS-CQSZACIVSA-N 1 1 328.420 0.633 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001057805636 773004038 /nfs/dbraw/zinc/00/40/38/773004038.db2.gz KCCUOQSTRUIQEI-OAHLLOKOSA-N 1 1 325.453 0.764 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001057806913 773006550 /nfs/dbraw/zinc/00/65/50/773006550.db2.gz WRYGHNUWWYNJJX-CABCVRRESA-N 1 1 325.453 0.478 20 30 ECEDMO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C)C1 ZINC001057864416 773091720 /nfs/dbraw/zinc/09/17/20/773091720.db2.gz RJJUVMUWVODUNW-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC001057873213 773106302 /nfs/dbraw/zinc/10/63/02/773106302.db2.gz LIMOVUFSOYKDIC-UHFFFAOYSA-N 1 1 339.403 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1=CCCC1 ZINC001057961473 773292108 /nfs/dbraw/zinc/29/21/08/773292108.db2.gz ZJSWIZRYKPPTFR-INIZCTEOSA-N 1 1 333.432 0.131 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1=CCCC1 ZINC001057961473 773292111 /nfs/dbraw/zinc/29/21/11/773292111.db2.gz ZJSWIZRYKPPTFR-INIZCTEOSA-N 1 1 333.432 0.131 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccsc1 ZINC001057961442 773292301 /nfs/dbraw/zinc/29/23/01/773292301.db2.gz XVAJYWRYAKBAJK-HNNXBMFYSA-N 1 1 349.456 0.396 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccsc1 ZINC001057961442 773292307 /nfs/dbraw/zinc/29/23/07/773292307.db2.gz XVAJYWRYAKBAJK-HNNXBMFYSA-N 1 1 349.456 0.396 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC(=C)C ZINC001057961956 773292770 /nfs/dbraw/zinc/29/27/70/773292770.db2.gz BDJWNKZSNIBEQL-INIZCTEOSA-N 1 1 335.448 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC(=C)C ZINC001057961956 773292773 /nfs/dbraw/zinc/29/27/73/773292773.db2.gz BDJWNKZSNIBEQL-INIZCTEOSA-N 1 1 335.448 0.377 20 30 ECEDMO CC(C)C#CC(=O)NCCN(CCO)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001057966997 773303773 /nfs/dbraw/zinc/30/37/73/773303773.db2.gz YBSZSXUKIPRNRS-MRXNPFEDSA-N 1 1 337.464 0.457 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001040606648 783091777 /nfs/dbraw/zinc/09/17/77/783091777.db2.gz NGQOZHKAFGNHEY-SFHVURJKSA-N 1 1 337.464 0.601 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058043230 773416041 /nfs/dbraw/zinc/41/60/41/773416041.db2.gz CJBDENBALSPBAT-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058043230 773416045 /nfs/dbraw/zinc/41/60/45/773416045.db2.gz CJBDENBALSPBAT-OAHLLOKOSA-N 1 1 344.419 0.106 20 30 ECEDMO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001040608573 783095050 /nfs/dbraw/zinc/09/50/50/783095050.db2.gz FAWZLFANIKCGRM-QAPCUYQASA-N 1 1 335.448 0.354 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CCN(c2nccnc2C#N)CC1 ZINC001058074210 773478387 /nfs/dbraw/zinc/47/83/87/773478387.db2.gz SKUGMVHBQVYSIN-UHFFFAOYSA-N 1 1 339.403 0.981 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(c2nccnc2C#N)CC1 ZINC001058087286 773508613 /nfs/dbraw/zinc/50/86/13/773508613.db2.gz MPBLOMDVPGZVQY-HIFRSBDPSA-N 1 1 342.447 0.973 20 30 ECEDMO C#CCC1(C(=O)NCCN(CCO)C(=O)Cn2c[nH+]cc2C)CCC1 ZINC001058111373 773555759 /nfs/dbraw/zinc/55/57/59/773555759.db2.gz VVVOACMPDOYYFU-UHFFFAOYSA-N 1 1 346.431 0.322 20 30 ECEDMO CC#CCCCC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058157843 773658265 /nfs/dbraw/zinc/65/82/65/773658265.db2.gz JAQWBKYTMQPDEC-INIZCTEOSA-N 1 1 337.464 0.459 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058168067 773684059 /nfs/dbraw/zinc/68/40/59/773684059.db2.gz SZBBWYFPYDOQMZ-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)C1 ZINC001058168067 773684063 /nfs/dbraw/zinc/68/40/63/773684063.db2.gz SZBBWYFPYDOQMZ-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)C1 ZINC001058176764 773707615 /nfs/dbraw/zinc/70/76/15/773707615.db2.gz GJJWPJALEGUIFP-DZGCQCFKSA-N 1 1 328.420 0.775 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001058252780 773847039 /nfs/dbraw/zinc/84/70/39/773847039.db2.gz WXYVCCLJLVWJHS-UHFFFAOYSA-N 1 1 349.435 0.169 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058257472 773858720 /nfs/dbraw/zinc/85/87/20/773858720.db2.gz XRSIUTSSXAUTTD-CABCVRRESA-N 1 1 327.469 0.724 20 30 ECEDMO C=CCC(CC=C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001039806100 783130408 /nfs/dbraw/zinc/13/04/08/783130408.db2.gz SKLVYPGBKQYYSF-LPHOPBHVSA-N 1 1 349.475 0.929 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)O1 ZINC001058264366 773876304 /nfs/dbraw/zinc/87/63/04/773876304.db2.gz VYGXUMKVGBRYDR-VNHYZAJKSA-N 1 1 344.419 0.152 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)O1 ZINC001058264366 773876308 /nfs/dbraw/zinc/87/63/08/773876308.db2.gz VYGXUMKVGBRYDR-VNHYZAJKSA-N 1 1 344.419 0.152 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C(=C)C ZINC001058287686 773922613 /nfs/dbraw/zinc/92/26/13/773922613.db2.gz ADYZQRXSEPGCPE-INIZCTEOSA-N 1 1 349.475 0.623 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)C(=C)C ZINC001058287686 773922618 /nfs/dbraw/zinc/92/26/18/773922618.db2.gz ADYZQRXSEPGCPE-INIZCTEOSA-N 1 1 349.475 0.623 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001058306012 773941735 /nfs/dbraw/zinc/94/17/35/773941735.db2.gz QTTSAVZJMYIGNL-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058306011 773942114 /nfs/dbraw/zinc/94/21/14/773942114.db2.gz QTTSAVZJMYIGNL-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058316732 773960450 /nfs/dbraw/zinc/96/04/50/773960450.db2.gz GMYVFZSQGJXXQA-HOCLYGCPSA-N 1 1 329.404 0.287 20 30 ECEDMO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001058316732 773960457 /nfs/dbraw/zinc/96/04/57/773960457.db2.gz GMYVFZSQGJXXQA-HOCLYGCPSA-N 1 1 329.404 0.287 20 30 ECEDMO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001058371905 774051970 /nfs/dbraw/zinc/05/19/70/774051970.db2.gz KMUVBKCXWFSAHR-ZDUSSCGKSA-N 1 1 339.403 0.811 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)c(C)n3)C2)C1 ZINC001058376025 774058703 /nfs/dbraw/zinc/05/87/03/774058703.db2.gz CFLYIABZVLTMNL-HOTGVXAUSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)c(C)n3)C2)C1 ZINC001058376025 774058710 /nfs/dbraw/zinc/05/87/10/774058710.db2.gz CFLYIABZVLTMNL-HOTGVXAUSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3nc(C)ccc3C#N)C2)C1 ZINC001058376174 774059683 /nfs/dbraw/zinc/05/96/83/774059683.db2.gz GVFBUYQATNMSHE-CVEARBPZSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3nc(C)ccc3C#N)C2)C1 ZINC001058376174 774059690 /nfs/dbraw/zinc/05/96/90/774059690.db2.gz GVFBUYQATNMSHE-CVEARBPZSA-N 1 1 343.431 0.677 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058376841 774060741 /nfs/dbraw/zinc/06/07/41/774060741.db2.gz XOENVSRRMMGSMM-GJZGRUSLSA-N 1 1 329.404 0.369 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)C1 ZINC001058376841 774060745 /nfs/dbraw/zinc/06/07/45/774060745.db2.gz XOENVSRRMMGSMM-GJZGRUSLSA-N 1 1 329.404 0.369 20 30 ECEDMO C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001058437394 774178645 /nfs/dbraw/zinc/17/86/45/774178645.db2.gz CJKLBCBNBZMUCV-UKRRQHHQSA-N 1 1 336.436 0.587 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)C1 ZINC001058521122 774352919 /nfs/dbraw/zinc/35/29/19/774352919.db2.gz FJBBUXHGHKJKOY-ZFWWWQNUSA-N 1 1 344.419 0.152 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)C1 ZINC001058521122 774352923 /nfs/dbraw/zinc/35/29/23/774352923.db2.gz FJBBUXHGHKJKOY-ZFWWWQNUSA-N 1 1 344.419 0.152 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)C1 ZINC001058543291 774400044 /nfs/dbraw/zinc/40/00/44/774400044.db2.gz PRLQLSRHMJNUPK-ZDUSSCGKSA-N 1 1 328.420 0.775 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058582888 774475361 /nfs/dbraw/zinc/47/53/61/774475361.db2.gz UTZIXOMSUUTNKK-UONOGXRCSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncnc3nc[nH]c32)C1 ZINC001058589396 774491126 /nfs/dbraw/zinc/49/11/26/774491126.db2.gz BXTHLJAWMSBLHA-STQMWFEESA-N 1 1 339.403 0.145 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncnc3nc[nH]c32)C1 ZINC001058589396 774491132 /nfs/dbraw/zinc/49/11/32/774491132.db2.gz BXTHLJAWMSBLHA-STQMWFEESA-N 1 1 339.403 0.145 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001044994503 774810975 /nfs/dbraw/zinc/81/09/75/774810975.db2.gz UKRUMNJADOYXNS-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001045058267 774909060 /nfs/dbraw/zinc/90/90/60/774909060.db2.gz BDRZPHMCCREGCF-AWEZNQCLSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cnn(CC)n2)nn1 ZINC001045232486 775190678 /nfs/dbraw/zinc/19/06/78/775190678.db2.gz NXXQIVLCJCLSEB-AWEZNQCLSA-N 1 1 344.423 0.470 20 30 ECEDMO Cc1[nH+]ccn1CCCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 ZINC001043891712 775233987 /nfs/dbraw/zinc/23/39/87/775233987.db2.gz YPKCYGHSKCJGPU-UHFFFAOYSA-N 1 1 344.415 0.075 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043910019 775286703 /nfs/dbraw/zinc/28/67/03/775286703.db2.gz NOYCRUDGKVXSSK-CYBMUJFWSA-N 1 1 334.420 0.483 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O ZINC001043959918 775404289 /nfs/dbraw/zinc/40/42/89/775404289.db2.gz LEOWFDKGZJFVDT-CABCVRRESA-N 1 1 340.387 0.133 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]2O)C1 ZINC001043966305 775419687 /nfs/dbraw/zinc/41/96/87/775419687.db2.gz OPHRCLOAUZRWEU-PEYYIBSZSA-N 1 1 332.379 0.315 20 30 ECEDMO C#CCCCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044007946 775499953 /nfs/dbraw/zinc/49/99/53/775499953.db2.gz ZZHGYTRGDRGNQC-HNNXBMFYSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCCCC(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001045462484 775646661 /nfs/dbraw/zinc/64/66/61/775646661.db2.gz IKVCATBVAOOCDG-HNNXBMFYSA-N 1 1 337.464 0.907 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028898 790382453 /nfs/dbraw/zinc/38/24/53/790382453.db2.gz KHLWBEVCAYNSKH-ZACQAIPSSA-N 1 1 346.479 0.928 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028898 790382460 /nfs/dbraw/zinc/38/24/60/790382460.db2.gz KHLWBEVCAYNSKH-ZACQAIPSSA-N 1 1 346.479 0.928 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C=C)[C@@H](n2ccnn2)C1 ZINC001070031186 790393281 /nfs/dbraw/zinc/39/32/81/790393281.db2.gz JIRMQPYIGDYFOZ-WCVJEAGWSA-N 1 1 331.420 0.787 20 30 ECEDMO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001044298142 776087482 /nfs/dbraw/zinc/08/74/82/776087482.db2.gz ILJIWUGXXDPJIZ-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCCCCCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001044475594 776336544 /nfs/dbraw/zinc/33/65/44/776336544.db2.gz VLIGPBCVDPDHPN-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001079628869 776552250 /nfs/dbraw/zinc/55/22/50/776552250.db2.gz XVQSPDFHLSWQBS-FZKQIMNGSA-N 1 1 340.427 0.973 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642706 776589247 /nfs/dbraw/zinc/58/92/47/776589247.db2.gz JJFJPNUQKMGVKC-VCTAVGKDSA-N 1 1 346.362 0.742 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642706 776589252 /nfs/dbraw/zinc/58/92/52/776589252.db2.gz JJFJPNUQKMGVKC-VCTAVGKDSA-N 1 1 346.362 0.742 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)/C(C)=C/C)CCOCC1 ZINC001070065000 790488799 /nfs/dbraw/zinc/48/87/99/790488799.db2.gz IOKVTUIFXXIIQR-UZPPOTPCSA-N 1 1 347.459 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)/C(C)=C/C)CCOCC1 ZINC001070065000 790488804 /nfs/dbraw/zinc/48/88/04/790488804.db2.gz IOKVTUIFXXIIQR-UZPPOTPCSA-N 1 1 347.459 0.832 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001079797914 776889449 /nfs/dbraw/zinc/88/94/49/776889449.db2.gz DNQKRZUWZFPENA-BPQIPLTHSA-N 1 1 339.439 0.953 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001079797914 776889456 /nfs/dbraw/zinc/88/94/56/776889456.db2.gz DNQKRZUWZFPENA-BPQIPLTHSA-N 1 1 339.439 0.953 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001079803529 776901943 /nfs/dbraw/zinc/90/19/43/776901943.db2.gz ZOBUXBHUHFQSAT-CZUORRHYSA-N 1 1 329.400 0.624 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(OC)nn2)[C@@H](n2ccnn2)C1 ZINC001070069329 790500066 /nfs/dbraw/zinc/50/00/66/790500066.db2.gz AYDNDDWIDJMFMB-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)nn2)[C@@H](n2ccnn2)C1 ZINC001070069329 790500074 /nfs/dbraw/zinc/50/00/74/790500074.db2.gz AYDNDDWIDJMFMB-KGLIPLIRSA-N 1 1 343.391 0.308 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001079966673 777168439 /nfs/dbraw/zinc/16/84/39/777168439.db2.gz DTCPZUFMMBZNNT-CQSZACIVSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001079982016 777189151 /nfs/dbraw/zinc/18/91/51/777189151.db2.gz KFXDPXBONGDTQZ-ZYHUDNBSSA-N 1 1 325.390 0.000 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001068539767 790518408 /nfs/dbraw/zinc/51/84/08/790518408.db2.gz RTCJVRFUXLRJAI-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@@H](C)OC)C1 ZINC001080008838 777221224 /nfs/dbraw/zinc/22/12/24/777221224.db2.gz FTKKGCPJHKUTDK-ZBFHGGJFSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[C@@H](C)OC)C1 ZINC001080008838 777221238 /nfs/dbraw/zinc/22/12/38/777221238.db2.gz FTKKGCPJHKUTDK-ZBFHGGJFSA-N 1 1 335.448 0.568 20 30 ECEDMO C#CCCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080014461 777232038 /nfs/dbraw/zinc/23/20/38/777232038.db2.gz UWJRKZDMPBHOND-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080014461 777232046 /nfs/dbraw/zinc/23/20/46/777232046.db2.gz UWJRKZDMPBHOND-NVXWUHKLSA-N 1 1 349.475 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)cn1 ZINC001070080397 790533695 /nfs/dbraw/zinc/53/36/95/790533695.db2.gz CKPKXLMIRVOJRD-CVEARBPZSA-N 1 1 342.378 0.669 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 ZINC001068552870 790548359 /nfs/dbraw/zinc/54/83/59/790548359.db2.gz XXWDDYWJDQRQIY-JOCQHMNTSA-N 1 1 325.376 0.860 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001080233465 777588170 /nfs/dbraw/zinc/58/81/70/777588170.db2.gz IVTCHSAMFPRARQ-DFBGVHRSSA-N 1 1 331.420 0.555 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]nc3C)C2)C1=O ZINC001080233465 777588173 /nfs/dbraw/zinc/58/81/73/777588173.db2.gz IVTCHSAMFPRARQ-DFBGVHRSSA-N 1 1 331.420 0.555 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1Nc1ccc(C#N)nc1 ZINC001043104086 777734094 /nfs/dbraw/zinc/73/40/94/777734094.db2.gz IXMBTEOJMNMXJW-DAXOMENPSA-N 1 1 329.404 0.543 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1Nc1ccc(C#N)nc1 ZINC001043104086 777734099 /nfs/dbraw/zinc/73/40/99/777734099.db2.gz IXMBTEOJMNMXJW-DAXOMENPSA-N 1 1 329.404 0.543 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@]2(C)CCOC2)C1 ZINC001080355779 777744700 /nfs/dbraw/zinc/74/47/00/777744700.db2.gz XNOMGFDTRYWMGC-QFBILLFUSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@]2(C)CCOC2)C1 ZINC001080355779 777744709 /nfs/dbraw/zinc/74/47/09/777744709.db2.gz XNOMGFDTRYWMGC-QFBILLFUSA-N 1 1 347.459 0.570 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360846 777748898 /nfs/dbraw/zinc/74/88/98/777748898.db2.gz LHPBVKUCVALPLB-VCTAVGKDSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360846 777748907 /nfs/dbraw/zinc/74/89/07/777748907.db2.gz LHPBVKUCVALPLB-VCTAVGKDSA-N 1 1 345.378 0.315 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458743 777890781 /nfs/dbraw/zinc/89/07/81/777890781.db2.gz FTEJUCNVGBZXMH-HPAJIGNASA-N 1 1 344.390 0.755 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458743 777890789 /nfs/dbraw/zinc/89/07/89/777890789.db2.gz FTEJUCNVGBZXMH-HPAJIGNASA-N 1 1 344.390 0.755 20 30 ECEDMO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001043187785 777913375 /nfs/dbraw/zinc/91/33/75/777913375.db2.gz SUMHRGSTMZIUSI-UHFFFAOYSA-N 1 1 346.431 0.649 20 30 ECEDMO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001043204433 777953226 /nfs/dbraw/zinc/95/32/26/777953226.db2.gz BHHFRVHZVBVTOO-OSAQELSMSA-N 1 1 328.420 0.867 20 30 ECEDMO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001043207023 777958402 /nfs/dbraw/zinc/95/84/02/777958402.db2.gz JXIOUJIZNACIMM-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cscn3)C2)C1=O ZINC001080565162 778051849 /nfs/dbraw/zinc/05/18/49/778051849.db2.gz VTKLOPKJOLDSCL-YUELXQCFSA-N 1 1 348.472 0.909 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043263479 778066361 /nfs/dbraw/zinc/06/63/61/778066361.db2.gz KXMCGQSLOZBLOR-HZPDHXFCSA-N 1 1 349.475 0.600 20 30 ECEDMO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043429764 778313145 /nfs/dbraw/zinc/31/31/45/778313145.db2.gz FOIDQQKMQGUIQA-KBPBESRZSA-N 1 1 325.453 0.474 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001043435964 778330626 /nfs/dbraw/zinc/33/06/26/778330626.db2.gz OTLDOKLLGVCPKG-HIFRSBDPSA-N 1 1 344.415 0.138 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(C#N)cn2)C1 ZINC001043591131 778555403 /nfs/dbraw/zinc/55/54/03/778555403.db2.gz VXTDUQLNPXBKMJ-BMFZPTHFSA-N 1 1 338.415 0.705 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(C#N)cn2)C1 ZINC001043591131 778555409 /nfs/dbraw/zinc/55/54/09/778555409.db2.gz VXTDUQLNPXBKMJ-BMFZPTHFSA-N 1 1 338.415 0.705 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043680275 778711948 /nfs/dbraw/zinc/71/19/48/778711948.db2.gz PTDVXCMUAZNKSX-CABCVRRESA-N 1 1 349.475 0.905 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)C#CC(C)(C)C)CCOCC2)C1 ZINC001070112960 790647597 /nfs/dbraw/zinc/64/75/97/790647597.db2.gz AIAIUANSWVEYOZ-HNNXBMFYSA-N 1 1 349.475 0.769 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(c4ccncc4C#N)C[C@@H]32)C1 ZINC001043726125 778780148 /nfs/dbraw/zinc/78/01/48/778780148.db2.gz BRLFANLQKVJWGY-XOKHGSTOSA-N 1 1 341.415 0.321 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNc3nccnc3C#N)C2)CC[N@H+]1C ZINC001068610900 790704511 /nfs/dbraw/zinc/70/45/11/790704511.db2.gz VALYWEPNQQQBNW-AAVRWANBSA-N 1 1 328.420 0.995 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001068620742 790730730 /nfs/dbraw/zinc/73/07/30/790730730.db2.gz QZNJXGRTCGHION-KBPBESRZSA-N 1 1 336.436 0.364 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001042271869 779953810 /nfs/dbraw/zinc/95/38/10/779953810.db2.gz HAHNKFCYQJXWDV-ZBFHGGJFSA-N 1 1 328.416 0.823 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC001042272061 779954277 /nfs/dbraw/zinc/95/42/77/779954277.db2.gz KSDLDZWJPSYGAH-VXGBXAGGSA-N 1 1 340.811 0.214 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC001042272061 779954282 /nfs/dbraw/zinc/95/42/82/779954282.db2.gz KSDLDZWJPSYGAH-VXGBXAGGSA-N 1 1 340.811 0.214 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001042273336 779957309 /nfs/dbraw/zinc/95/73/09/779957309.db2.gz RTJZFIPQCPRKOH-GOEBONIOSA-N 1 1 328.416 0.823 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@H]2CC[N@@H+](CC(N)=O)[C@@H]2C1 ZINC001042303040 780024690 /nfs/dbraw/zinc/02/46/90/780024690.db2.gz CJEXHNOXZSCJCC-UONOGXRCSA-N 1 1 344.415 0.668 20 30 ECEDMO C=CCOc1cccnc1C(=O)N1CC[C@@H]2CC[N@H+](CC(N)=O)[C@@H]2C1 ZINC001042303040 780024697 /nfs/dbraw/zinc/02/46/97/780024697.db2.gz CJEXHNOXZSCJCC-UONOGXRCSA-N 1 1 344.415 0.668 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnon3)C2)cn1 ZINC001078500679 780027774 /nfs/dbraw/zinc/02/77/74/780027774.db2.gz VMLSNHGEBAFJJU-INIZCTEOSA-N 1 1 341.371 0.467 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(C4CCOCC4)nn3)C[C@H]21 ZINC001042308683 780043364 /nfs/dbraw/zinc/04/33/64/780043364.db2.gz YBVABHWDQCPPBT-WMLDXEAASA-N 1 1 343.431 0.799 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3nc4nccc(C)n4n3)C[C@H]21 ZINC001042335435 780091372 /nfs/dbraw/zinc/09/13/72/780091372.db2.gz KKFPAWGVTXYJEB-HUUCEWRRSA-N 1 1 338.415 0.992 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 ZINC001042345711 780109643 /nfs/dbraw/zinc/10/96/43/780109643.db2.gz MULKYUAFTBCMFL-UONOGXRCSA-N 1 1 334.420 0.379 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 ZINC001042345710 780109723 /nfs/dbraw/zinc/10/97/23/780109723.db2.gz MULKYUAFTBCMFL-KGLIPLIRSA-N 1 1 334.420 0.379 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@@H]21 ZINC001042348818 780116329 /nfs/dbraw/zinc/11/63/29/780116329.db2.gz FYDMFTBICJZBIF-KBPBESRZSA-N 1 1 330.388 0.868 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1n1ccnn1 ZINC001070151747 790766887 /nfs/dbraw/zinc/76/68/87/790766887.db2.gz IGXFFTXRINCMJH-KGLIPLIRSA-N 1 1 349.826 0.577 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070159768 790787265 /nfs/dbraw/zinc/78/72/65/790787265.db2.gz QYAXCJDYLWSVBC-CFVMTHIKSA-N 1 1 325.376 0.374 20 30 ECEDMO C#CCCCCC(=O)NCC1(O)CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001042661325 780604230 /nfs/dbraw/zinc/60/42/30/780604230.db2.gz RJHLLHSNYUKLBC-MRXNPFEDSA-N 1 1 349.475 0.744 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001078948902 780643420 /nfs/dbraw/zinc/64/34/20/780643420.db2.gz SKFSCBFAKUWKKY-SJORKVTESA-N 1 1 349.475 0.816 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001078948902 780643423 /nfs/dbraw/zinc/64/34/23/780643423.db2.gz SKFSCBFAKUWKKY-SJORKVTESA-N 1 1 349.475 0.816 20 30 ECEDMO C#CCOCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001078964815 780661044 /nfs/dbraw/zinc/66/10/44/780661044.db2.gz WRJJCKCQVNTWEX-SJORKVTESA-N 1 1 349.475 0.818 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001042740878 780726954 /nfs/dbraw/zinc/72/69/54/780726954.db2.gz JIQFJPKDHALTNV-ZACQAIPSSA-N 1 1 348.447 0.368 20 30 ECEDMO CO[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001042776114 780796115 /nfs/dbraw/zinc/79/61/15/780796115.db2.gz GBAONHLIQDLRDC-QLFBSQMISA-N 1 1 344.419 0.071 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn[nH]n2)C1 ZINC001079138199 780802467 /nfs/dbraw/zinc/80/24/67/780802467.db2.gz SWLYCWPYAYXTNI-IAGOWNOFSA-N 1 1 339.399 0.516 20 30 ECEDMO C[C@H](C#N)C(=O)NCCCCC[NH+]1CCN(C(=O)c2ccon2)CC1 ZINC001079164703 780846528 /nfs/dbraw/zinc/84/65/28/780846528.db2.gz OLOBZESAJSASBL-CQSZACIVSA-N 1 1 347.419 0.879 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001042802953 780849595 /nfs/dbraw/zinc/84/95/95/780849595.db2.gz PPQUSHRLXAXAKJ-JKSUJKDBSA-N 1 1 347.459 0.496 20 30 ECEDMO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001042806853 780857437 /nfs/dbraw/zinc/85/74/37/780857437.db2.gz LIWNOWOCOIKDKV-JKSUJKDBSA-N 1 1 347.459 0.496 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)c3ccn[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079224844 780895822 /nfs/dbraw/zinc/89/58/22/780895822.db2.gz HUAXNSFZAAJKGE-GOEBONIOSA-N 1 1 328.416 0.986 20 30 ECEDMO CO[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001042836839 780917529 /nfs/dbraw/zinc/91/75/29/780917529.db2.gz XFXXJZZCXAMDRE-BPLDGKMQSA-N 1 1 347.394 0.364 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cccnc3)C2)C1=O ZINC001079361633 781028570 /nfs/dbraw/zinc/02/85/70/781028570.db2.gz YUZOTEJFSLOXNE-BMFZPTHFSA-N 1 1 328.416 0.919 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cccnc3)C2)C1=O ZINC001079361633 781028578 /nfs/dbraw/zinc/02/85/78/781028578.db2.gz YUZOTEJFSLOXNE-BMFZPTHFSA-N 1 1 328.416 0.919 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042948277 781084197 /nfs/dbraw/zinc/08/41/97/781084197.db2.gz DCRISTOFBZVOCS-IXDOHACOSA-N 1 1 343.431 0.757 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cnn(CC)n2)C1 ZINC001042959966 781101137 /nfs/dbraw/zinc/10/11/37/781101137.db2.gz IKQNKFHHRBWNGO-INIZCTEOSA-N 1 1 330.436 0.038 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2cnn(CC)n2)C1 ZINC001042959966 781101139 /nfs/dbraw/zinc/10/11/39/781101139.db2.gz IKQNKFHHRBWNGO-INIZCTEOSA-N 1 1 330.436 0.038 20 30 ECEDMO C[N@@H+](CC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1)C1CCC1 ZINC001042970056 781117737 /nfs/dbraw/zinc/11/77/37/781117737.db2.gz HWOYKSXMJJFMKX-UHFFFAOYSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnn3C)C2)C1=O ZINC001079482703 781167959 /nfs/dbraw/zinc/16/79/59/781167959.db2.gz IIUNKGZMDQILFW-NFAWXSAZSA-N 1 1 331.420 0.257 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccnn3C)C2)C1=O ZINC001079482703 781167962 /nfs/dbraw/zinc/16/79/62/781167962.db2.gz IIUNKGZMDQILFW-NFAWXSAZSA-N 1 1 331.420 0.257 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493571 781181851 /nfs/dbraw/zinc/18/18/51/781181851.db2.gz WZHSXANOQSFCBQ-HFBAOOFYSA-N 1 1 344.390 0.912 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493571 781181853 /nfs/dbraw/zinc/18/18/53/781181853.db2.gz WZHSXANOQSFCBQ-HFBAOOFYSA-N 1 1 344.390 0.912 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COCC=C)C1 ZINC001079494291 781183587 /nfs/dbraw/zinc/18/35/87/781183587.db2.gz ZELIKTAPGVIYMA-INIZCTEOSA-N 1 1 333.432 0.346 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COCC=C)C1 ZINC001079494291 781183591 /nfs/dbraw/zinc/18/35/91/781183591.db2.gz ZELIKTAPGVIYMA-INIZCTEOSA-N 1 1 333.432 0.346 20 30 ECEDMO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001043043331 781234930 /nfs/dbraw/zinc/23/49/30/781234930.db2.gz IIRMDUKHYYNCTH-HNNXBMFYSA-N 1 1 337.464 0.905 20 30 ECEDMO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001043061966 781260405 /nfs/dbraw/zinc/26/04/05/781260405.db2.gz QXEXZJCOSYNIJF-CQSZACIVSA-N 1 1 337.464 0.763 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592500 781295302 /nfs/dbraw/zinc/29/53/02/781295302.db2.gz JAFSNYLGLBGPTB-BXUZGUMPSA-N 1 1 343.387 0.085 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001077632410 781388062 /nfs/dbraw/zinc/38/80/62/781388062.db2.gz QNOTYBYNPKKFNF-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001077632410 781388068 /nfs/dbraw/zinc/38/80/68/781388068.db2.gz QNOTYBYNPKKFNF-BBRMVZONSA-N 1 1 344.415 0.018 20 30 ECEDMO CN(c1cncc(C#N)n1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001068678675 790878203 /nfs/dbraw/zinc/87/82/03/790878203.db2.gz ATWSEBQUCNWBNR-CYBMUJFWSA-N 1 1 328.420 0.727 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O ZINC001041403419 781442750 /nfs/dbraw/zinc/44/27/50/781442750.db2.gz KULUDQNNVHCBTK-BZUAXINKSA-N 1 1 343.431 0.493 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)C2)C1 ZINC001041443551 781526807 /nfs/dbraw/zinc/52/68/07/781526807.db2.gz SVJRWSYJEMQMQV-GOSISDBHSA-N 1 1 340.383 0.584 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)nc2C)C[C@H]1O ZINC001077694042 781529818 /nfs/dbraw/zinc/52/98/18/781529818.db2.gz BOSLNMMSEOVUAA-TVFCKZIOSA-N 1 1 345.443 0.951 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@H]1O ZINC001077694042 781529821 /nfs/dbraw/zinc/52/98/21/781529821.db2.gz BOSLNMMSEOVUAA-TVFCKZIOSA-N 1 1 345.443 0.951 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC001041451045 781543598 /nfs/dbraw/zinc/54/35/98/781543598.db2.gz FWDJSVVEFNZHTQ-YJBOKZPZSA-N 1 1 332.448 0.725 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041451644 781544504 /nfs/dbraw/zinc/54/45/04/781544504.db2.gz OSPGFLLUAAFEIT-ZBFHGGJFSA-N 1 1 326.462 0.922 20 30 ECEDMO C[N@H+]1C[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)[C@@H](c2ccccc2)C1 ZINC001077708217 781558687 /nfs/dbraw/zinc/55/86/87/781558687.db2.gz ANIDQMASZZVSAY-YYIAUSFCSA-N 1 1 328.416 0.017 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041480682 781600296 /nfs/dbraw/zinc/60/02/96/781600296.db2.gz CHYXTYYUUVFTDL-VKJFTORMSA-N 1 1 333.432 0.357 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001077736776 781620921 /nfs/dbraw/zinc/62/09/21/781620921.db2.gz HKOMPPHHEBSERS-HUUCEWRRSA-N 1 1 326.318 0.831 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001077737115 781621371 /nfs/dbraw/zinc/62/13/71/781621371.db2.gz ZQEPRIQPQIICMA-HUUCEWRRSA-N 1 1 326.318 0.831 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001077737115 781621376 /nfs/dbraw/zinc/62/13/76/781621376.db2.gz ZQEPRIQPQIICMA-HUUCEWRRSA-N 1 1 326.318 0.831 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001077801272 781721554 /nfs/dbraw/zinc/72/15/54/781721554.db2.gz KATNENLFWAVNPQ-NXEZZACHSA-N 1 1 347.341 0.575 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001077808447 781733662 /nfs/dbraw/zinc/73/36/62/781733662.db2.gz IKFVZPJEEYYBSP-YLFCFFPRSA-N 1 1 328.412 0.983 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001077835290 781793885 /nfs/dbraw/zinc/79/38/85/781793885.db2.gz HTZQMWZLNSFAKG-HZPDHXFCSA-N 1 1 325.372 0.066 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001077836253 781797466 /nfs/dbraw/zinc/79/74/66/781797466.db2.gz OHTZSUYXYLYTIA-ZIAGYGMSSA-N 1 1 327.388 0.373 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(CC)CC)C1 ZINC001041583654 781797577 /nfs/dbraw/zinc/79/75/77/781797577.db2.gz UBNMCUHTXVBSIB-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(CC)CC)C1 ZINC001041583654 781797583 /nfs/dbraw/zinc/79/75/83/781797583.db2.gz UBNMCUHTXVBSIB-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC001041603688 781835022 /nfs/dbraw/zinc/83/50/22/781835022.db2.gz XQCAFDZKUVMSPG-HNAYVOBHSA-N 1 1 341.459 0.868 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccnc4c3nnn4C)C2)C1 ZINC001041605883 781838989 /nfs/dbraw/zinc/83/89/89/781838989.db2.gz NXUKCFGLUANIKG-GOSISDBHSA-N 1 1 338.415 0.925 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(c3ccc(C#N)nn3)CCCO2)C1 ZINC001039915367 783276078 /nfs/dbraw/zinc/27/60/78/783276078.db2.gz QEDQUSCTLRYROB-ZFWWWQNUSA-N 1 1 344.419 0.011 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001040762796 783385252 /nfs/dbraw/zinc/38/52/52/783385252.db2.gz CBUCTSRPTHQXIU-DZGCQCFKSA-N 1 1 337.387 0.591 20 30 ECEDMO C=C1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040807671 783476793 /nfs/dbraw/zinc/47/67/93/783476793.db2.gz UZSPHEVKPYHEMW-APWZRJJASA-N 1 1 349.475 0.907 20 30 ECEDMO C#CCC1(C(=O)N2CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C2)CCC1 ZINC001040098181 783535981 /nfs/dbraw/zinc/53/59/81/783535981.db2.gz ACMASXWLUOVCCT-LJQANCHMSA-N 1 1 349.475 0.600 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070192602 783626650 /nfs/dbraw/zinc/62/66/50/783626650.db2.gz DYZUSPWEPWPALW-KFWWJZLASA-N 1 1 331.424 0.016 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2csnn2)C[C@@H]1n1ccnn1 ZINC001070246286 783734490 /nfs/dbraw/zinc/73/44/90/783734490.db2.gz PACODSJGTLIDRN-KOLCDFICSA-N 1 1 339.812 0.537 20 30 ECEDMO CC(C)C#CC(=O)NCC1(NC(=O)C[N@H+]2CCC[C@@H]2C)CCOCC1 ZINC001070252376 783745326 /nfs/dbraw/zinc/74/53/26/783745326.db2.gz CURKBUCMUPDKNQ-INIZCTEOSA-N 1 1 349.475 0.912 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 ZINC001070337287 783844726 /nfs/dbraw/zinc/84/47/26/783844726.db2.gz XVZCPEQDWQGONK-OLZOCXBDSA-N 1 1 335.799 0.269 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)s2)C1 ZINC001038138435 783906502 /nfs/dbraw/zinc/90/65/02/783906502.db2.gz WHTBIGSRZPKEKY-WFASDCNBSA-N 1 1 334.445 0.641 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(C#N)s2)C1 ZINC001038138435 783906507 /nfs/dbraw/zinc/90/65/07/783906507.db2.gz WHTBIGSRZPKEKY-WFASDCNBSA-N 1 1 334.445 0.641 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2cc(F)ccc2C#N)C1 ZINC001038138830 783906639 /nfs/dbraw/zinc/90/66/39/783906639.db2.gz YEFOLCNJHFCBPN-IAGOWNOFSA-N 1 1 346.406 0.718 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2cc(F)ccc2C#N)C1 ZINC001038138830 783906644 /nfs/dbraw/zinc/90/66/44/783906644.db2.gz YEFOLCNJHFCBPN-IAGOWNOFSA-N 1 1 346.406 0.718 20 30 ECEDMO C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cn[nH]c2)C1 ZINC001070384927 783925670 /nfs/dbraw/zinc/92/56/70/783925670.db2.gz SCMPZPLTCYAOGG-HNNXBMFYSA-N 1 1 325.372 0.821 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)c2cn[nH]c2)C1 ZINC001070384927 783925680 /nfs/dbraw/zinc/92/56/80/783925680.db2.gz SCMPZPLTCYAOGG-HNNXBMFYSA-N 1 1 325.372 0.821 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2COCCO2)C1 ZINC001070384963 783927243 /nfs/dbraw/zinc/92/72/43/783927243.db2.gz UFIASCFCAVVSLI-RDJZCZTQSA-N 1 1 347.415 0.752 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038177368 783955346 /nfs/dbraw/zinc/95/53/46/783955346.db2.gz JRQAWXQVPKVFOT-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038177368 783955355 /nfs/dbraw/zinc/95/53/55/783955355.db2.gz JRQAWXQVPKVFOT-DLBZAZTESA-N 1 1 328.416 0.579 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001070401462 783972267 /nfs/dbraw/zinc/97/22/67/783972267.db2.gz PNSUMMDYPOYOFP-GFCCVEGCSA-N 1 1 325.372 0.863 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2N)C1 ZINC001070406367 783986802 /nfs/dbraw/zinc/98/68/02/783986802.db2.gz SSOWVMPIPXLXNE-LBPRGKRZSA-N 1 1 341.419 0.468 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(C)c2N)C1 ZINC001070406366 783987542 /nfs/dbraw/zinc/98/75/42/783987542.db2.gz SSOWVMPIPXLXNE-GFCCVEGCSA-N 1 1 341.419 0.468 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001070414509 784014386 /nfs/dbraw/zinc/01/43/86/784014386.db2.gz OJBTUAYPYVIJKG-KGLIPLIRSA-N 1 1 345.447 0.870 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001070420280 784029176 /nfs/dbraw/zinc/02/91/76/784029176.db2.gz VHFUBWLIXKCJMZ-GXTWGEPZSA-N 1 1 346.435 0.415 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001070421561 784031793 /nfs/dbraw/zinc/03/17/93/784031793.db2.gz PVKZKXZTNBEECO-DZGCQCFKSA-N 1 1 343.431 0.317 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnc(C)n2C)C1 ZINC001070422741 784036120 /nfs/dbraw/zinc/03/61/20/784036120.db2.gz HQHSLTFMUDXOEK-ZDUSSCGKSA-N 1 1 326.404 0.804 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc(COC)on2)C1 ZINC001070428218 784045724 /nfs/dbraw/zinc/04/57/24/784045724.db2.gz PBZZIRPJRJQGEA-GFCCVEGCSA-N 1 1 343.387 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cc3ncccn3n2)C1 ZINC001070429844 784048020 /nfs/dbraw/zinc/04/80/20/784048020.db2.gz SEGRINFZRXDIPX-CYBMUJFWSA-N 1 1 349.398 0.805 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2nonc2C)C1 ZINC001070436067 784065889 /nfs/dbraw/zinc/06/58/89/784065889.db2.gz ZTJVAVCSVHHVJI-GFCCVEGCSA-N 1 1 328.376 0.844 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCO1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441305 784081651 /nfs/dbraw/zinc/08/16/51/784081651.db2.gz SEKSGBAKFTWILI-UONOGXRCSA-N 1 1 331.420 0.706 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cnns1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442631 784085451 /nfs/dbraw/zinc/08/54/51/784085451.db2.gz LALMFPRMXKXPQS-LLVKDONJSA-N 1 1 345.432 0.692 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001070913660 784105288 /nfs/dbraw/zinc/10/52/88/784105288.db2.gz SMIMADZZZFLQPG-ZACQAIPSSA-N 1 1 343.427 0.916 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@@]1(C)CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070448982 784106611 /nfs/dbraw/zinc/10/66/11/784106611.db2.gz HOWOAKBSVMCSQM-YOEHRIQHSA-N 1 1 345.447 0.954 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1c1cn(C)cn1 ZINC001070475295 784155891 /nfs/dbraw/zinc/15/58/91/784155891.db2.gz MHXKZGBNLNUOTP-USXIJHARSA-N 1 1 331.464 0.974 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)COC(C)C)C1 ZINC001070513875 784214743 /nfs/dbraw/zinc/21/47/43/784214743.db2.gz JXGNRSAFZYMCTR-CVEARBPZSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)COC(C)C)C1 ZINC001070513875 784214746 /nfs/dbraw/zinc/21/47/46/784214746.db2.gz JXGNRSAFZYMCTR-CVEARBPZSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001070958591 784228161 /nfs/dbraw/zinc/22/81/61/784228161.db2.gz JAENBXQSKQLEAR-UHFFFAOYSA-N 1 1 331.420 0.016 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001070958591 784228167 /nfs/dbraw/zinc/22/81/67/784228167.db2.gz JAENBXQSKQLEAR-UHFFFAOYSA-N 1 1 331.420 0.016 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 ZINC001070967987 784258145 /nfs/dbraw/zinc/25/81/45/784258145.db2.gz IESWLOLIAFRWTH-HNNXBMFYSA-N 1 1 335.452 0.035 20 30 ECEDMO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001070968014 784258471 /nfs/dbraw/zinc/25/84/71/784258471.db2.gz JGGZTMVCYTZWCL-MRXNPFEDSA-N 1 1 336.480 0.697 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001070969176 784263229 /nfs/dbraw/zinc/26/32/29/784263229.db2.gz DQDHOPDIIVTGDO-UHFFFAOYSA-N 1 1 333.436 0.569 20 30 ECEDMO N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001070972790 784279437 /nfs/dbraw/zinc/27/94/37/784279437.db2.gz MEWPDRJWAQJVOL-HOTGVXAUSA-N 1 1 347.463 0.177 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cncnc2)CC1 ZINC001070980238 784307591 /nfs/dbraw/zinc/30/75/91/784307591.db2.gz WJMHMWNLTMYTPZ-UHFFFAOYSA-N 1 1 345.447 0.636 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCc2cncnc2)CC1 ZINC001070980238 784307601 /nfs/dbraw/zinc/30/76/01/784307601.db2.gz WJMHMWNLTMYTPZ-UHFFFAOYSA-N 1 1 345.447 0.636 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2nccn2C)CC1 ZINC001070982996 784316359 /nfs/dbraw/zinc/31/63/59/784316359.db2.gz XNDFBJCFBMBXJI-UHFFFAOYSA-N 1 1 345.447 0.027 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2nccn2C)CC1 ZINC001070982996 784316366 /nfs/dbraw/zinc/31/63/66/784316366.db2.gz XNDFBJCFBMBXJI-UHFFFAOYSA-N 1 1 345.447 0.027 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCC(=O)NCC[N@@H+](C[C@H](C)O)CC1 ZINC001070995212 784352484 /nfs/dbraw/zinc/35/24/84/784352484.db2.gz WCCJOFVBQBWNPZ-YOEHRIQHSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCC(=O)NCC[N@H+](C[C@H](C)O)CC1 ZINC001070995212 784352492 /nfs/dbraw/zinc/35/24/92/784352492.db2.gz WCCJOFVBQBWNPZ-YOEHRIQHSA-N 1 1 325.453 0.620 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cc(C)on2)CC1 ZINC001070997561 784360922 /nfs/dbraw/zinc/36/09/22/784360922.db2.gz POASDPQLJRFTOL-UHFFFAOYSA-N 1 1 346.431 0.589 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cc(C)on2)CC1 ZINC001070997561 784360935 /nfs/dbraw/zinc/36/09/35/784360935.db2.gz POASDPQLJRFTOL-UHFFFAOYSA-N 1 1 346.431 0.589 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)[C@H]2CCCO2)CC1 ZINC001070997698 784361197 /nfs/dbraw/zinc/36/11/97/784361197.db2.gz VLHNMEBVCXGNFI-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)[C@H]2CCCO2)CC1 ZINC001070997698 784361206 /nfs/dbraw/zinc/36/12/06/784361206.db2.gz VLHNMEBVCXGNFI-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cccc(=O)n2C)CC1 ZINC001070998761 784365633 /nfs/dbraw/zinc/36/56/33/784365633.db2.gz RNVFPPHOCUYSKA-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cccc(=O)n2C)CC1 ZINC001070998761 784365639 /nfs/dbraw/zinc/36/56/39/784365639.db2.gz RNVFPPHOCUYSKA-UHFFFAOYSA-N 1 1 346.431 0.226 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001071000082 784371250 /nfs/dbraw/zinc/37/12/50/784371250.db2.gz MXRGDKDZZURUJZ-HOTGVXAUSA-N 1 1 336.480 0.411 20 30 ECEDMO C=CCCN1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001071000082 784371259 /nfs/dbraw/zinc/37/12/59/784371259.db2.gz MXRGDKDZZURUJZ-HOTGVXAUSA-N 1 1 336.480 0.411 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnn(C)c2)n1 ZINC001070595451 784403856 /nfs/dbraw/zinc/40/38/56/784403856.db2.gz ALYAKWLEKOZJFF-GJZGRUSLSA-N 1 1 342.403 0.591 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cncnc2)n1 ZINC001070596556 784407739 /nfs/dbraw/zinc/40/77/39/784407739.db2.gz NJBOFMYJNBSDIO-GJZGRUSLSA-N 1 1 340.387 0.648 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2OCC[C@H]2C)n1 ZINC001070599365 784412914 /nfs/dbraw/zinc/41/29/14/784412914.db2.gz XCQKHTOLEBIBFB-AESZEHBQSA-N 1 1 346.431 0.969 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001071015250 784420541 /nfs/dbraw/zinc/42/05/41/784420541.db2.gz WEAJNBMFZWSPRK-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2c[nH]nc2C)n1 ZINC001070604185 784422481 /nfs/dbraw/zinc/42/24/81/784422481.db2.gz ACQVQZHPUMZIOC-UONOGXRCSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]c2C)n1 ZINC001070604185 784422497 /nfs/dbraw/zinc/42/24/97/784422497.db2.gz ACQVQZHPUMZIOC-UONOGXRCSA-N 1 1 342.403 0.889 20 30 ECEDMO C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]c2C)n1 ZINC001070604185 784422501 /nfs/dbraw/zinc/42/25/01/784422501.db2.gz ACQVQZHPUMZIOC-UONOGXRCSA-N 1 1 342.403 0.889 20 30 ECEDMO CC#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cnon2)n1 ZINC001070605671 784427221 /nfs/dbraw/zinc/42/72/21/784427221.db2.gz VZFOYEHSPKBNDU-QWHCGFSZSA-N 1 1 344.375 0.631 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)c2OC)CC1 ZINC001071018232 784431980 /nfs/dbraw/zinc/43/19/80/784431980.db2.gz HLCVLZFDIMYADP-UHFFFAOYSA-N 1 1 349.435 0.269 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)c2OC)CC1 ZINC001071018232 784431984 /nfs/dbraw/zinc/43/19/84/784431984.db2.gz HLCVLZFDIMYADP-UHFFFAOYSA-N 1 1 349.435 0.269 20 30 ECEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnc(C)n2)CC1 ZINC001071020752 784439081 /nfs/dbraw/zinc/43/90/81/784439081.db2.gz SVBIZCFYGVPTQG-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnc(C)n2)CC1 ZINC001071020752 784439087 /nfs/dbraw/zinc/43/90/87/784439087.db2.gz SVBIZCFYGVPTQG-UHFFFAOYSA-N 1 1 331.420 0.625 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C[C@@H]2CCCO2)CC1 ZINC001071023195 784448691 /nfs/dbraw/zinc/44/86/91/784448691.db2.gz TZVZOGXPWQBHSZ-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C[C@@H]2CCCO2)CC1 ZINC001071023195 784448696 /nfs/dbraw/zinc/44/86/96/784448696.db2.gz TZVZOGXPWQBHSZ-IRXDYDNUSA-N 1 1 349.475 0.865 20 30 ECEDMO C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnns2)C1 ZINC001070630551 784462683 /nfs/dbraw/zinc/46/26/83/784462683.db2.gz VYVIHCNSSSPUHN-CYZMBNFOSA-N 1 1 345.432 0.515 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cncn1C ZINC001070642987 784485379 /nfs/dbraw/zinc/48/53/79/784485379.db2.gz FKANGGAACNYXMA-VXGBXAGGSA-N 1 1 349.826 0.499 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001070672829 784530872 /nfs/dbraw/zinc/53/08/72/784530872.db2.gz QPFWTYOQOMVACQ-PBHICJAKSA-N 1 1 334.420 0.626 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070701168 784567624 /nfs/dbraw/zinc/56/76/24/784567624.db2.gz GHOZMMZLHSPWKU-BZUAXINKSA-N 1 1 335.448 0.472 20 30 ECEDMO CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070701168 784567633 /nfs/dbraw/zinc/56/76/33/784567633.db2.gz GHOZMMZLHSPWKU-BZUAXINKSA-N 1 1 335.448 0.472 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@H](C)O2 ZINC001071133664 784576517 /nfs/dbraw/zinc/57/65/17/784576517.db2.gz FEGLPZHQPUAGRP-MAUKXSAKSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cncn1)C[C@H](C)O2 ZINC001071136979 784583497 /nfs/dbraw/zinc/58/34/97/784583497.db2.gz SMRGGAVZBJJXKC-RDJZCZTQSA-N 1 1 331.420 0.383 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1cccn1)C[C@@H](C)O2 ZINC001071139368 784587279 /nfs/dbraw/zinc/58/72/79/784587279.db2.gz TYEBWWDRAOPSHG-AEFFLSMTSA-N 1 1 330.432 0.988 20 30 ECEDMO COCC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C#N)c1)C[C@@H](C)O2 ZINC001071149435 784606041 /nfs/dbraw/zinc/60/60/41/784606041.db2.gz MEWSYDOLPVRXIX-DYVFJYSZSA-N 1 1 332.404 0.838 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001070731580 784621894 /nfs/dbraw/zinc/62/18/94/784621894.db2.gz FCWWWSKNALOZKP-UKRRQHHQSA-N 1 1 332.404 0.337 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cncnc1)C[C@H](C)O2 ZINC001071164270 784636040 /nfs/dbraw/zinc/63/60/40/784636040.db2.gz JTULLMQIPHSJHH-MAUKXSAKSA-N 1 1 328.416 0.734 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccn(C)n1)C[C@@H](C)O2 ZINC001071166735 784642665 /nfs/dbraw/zinc/64/26/65/784642665.db2.gz MXWRQZLPDGCOKI-CRAIPNDOSA-N 1 1 330.432 0.678 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)C[C@H](C)O2 ZINC001071174207 784659778 /nfs/dbraw/zinc/65/97/78/784659778.db2.gz UVDBQJUUNVIFKM-KBXCAEBGSA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)C[C@H](C)O2 ZINC001071174207 784659783 /nfs/dbraw/zinc/65/97/83/784659783.db2.gz UVDBQJUUNVIFKM-KBXCAEBGSA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnc3n1CCC3)C[C@H](C)O2 ZINC001071177966 784669941 /nfs/dbraw/zinc/66/99/41/784669941.db2.gz IQNLYSICKMGTLD-KBXCAEBGSA-N 1 1 328.416 0.768 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3nc[nH]c3n1)C[C@H](C)O2 ZINC001071179846 784677191 /nfs/dbraw/zinc/67/71/91/784677191.db2.gz AQOYWUCHHKPPQW-SCLBCKFNSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc3nc[nH]c3n1)C[C@H](C)O2 ZINC001071179846 784677193 /nfs/dbraw/zinc/67/71/93/784677193.db2.gz AQOYWUCHHKPPQW-SCLBCKFNSA-N 1 1 339.399 0.897 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCNC1=O)C[C@@H](C)O2 ZINC001071183284 784683172 /nfs/dbraw/zinc/68/31/72/784683172.db2.gz LWQLMEJXJNHAMZ-CRAIPNDOSA-N 1 1 348.447 0.117 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(CN(C)C)on1)C[C@@H](C)O2 ZINC001071183267 784683247 /nfs/dbraw/zinc/68/32/47/784683247.db2.gz LSVGVLHRHARACM-RDTXWAMCSA-N 1 1 346.431 0.675 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(CN(C)C)on1)C[C@@H](C)O2 ZINC001071183267 784683252 /nfs/dbraw/zinc/68/32/52/784683252.db2.gz LSVGVLHRHARACM-RDTXWAMCSA-N 1 1 346.431 0.675 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1cc(C)nn1C)C[C@H](C)O2 ZINC001071189776 784695089 /nfs/dbraw/zinc/69/50/89/784695089.db2.gz PGTIFKZNXJSMBZ-LPHOPBHVSA-N 1 1 344.459 0.986 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1coc(C(N)=O)c1)C[C@@H](C)O2 ZINC001071191303 784702121 /nfs/dbraw/zinc/70/21/21/784702121.db2.gz DWGMAOSGLWXEKK-SJKOYZFVSA-N 1 1 333.388 0.870 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1cn(CC)nn1)C[C@@H](C)O2 ZINC001071194461 784709205 /nfs/dbraw/zinc/70/92/05/784709205.db2.gz JNPYVQZSLHEIGH-CRAIPNDOSA-N 1 1 345.447 0.556 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nc(C)no1)C[C@@H](C)O2 ZINC001071196770 784714100 /nfs/dbraw/zinc/71/41/00/784714100.db2.gz IAYMNEFPPXMXQZ-CXAGYDPISA-N 1 1 332.404 0.636 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CCO)C3)C2)cc1 ZINC001071197603 784716083 /nfs/dbraw/zinc/71/60/83/784716083.db2.gz VTSGBWVBWBEQDE-DNVCBOLYSA-N 1 1 328.412 0.966 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccn3nnnc3c1)C[C@H](C)O2 ZINC001071200383 784721725 /nfs/dbraw/zinc/72/17/25/784721725.db2.gz WCYGXGMCJGYFMO-GUYCJALGSA-N 1 1 342.403 0.616 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@@H](C)O2 ZINC001071211995 784747295 /nfs/dbraw/zinc/74/72/95/784747295.db2.gz QREMJMBKRRUSDP-ACJLOTCBSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nn(C)c1OC)C[C@H](C)O2 ZINC001071216404 784757634 /nfs/dbraw/zinc/75/76/34/784757634.db2.gz PVBXWLQOFLYYEH-SCLBCKFNSA-N 1 1 346.431 0.676 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c(C)nn(C)c1OC)C[C@H](C)O2 ZINC001071216404 784757644 /nfs/dbraw/zinc/75/76/44/784757644.db2.gz PVBXWLQOFLYYEH-SCLBCKFNSA-N 1 1 346.431 0.676 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@H+](CC#CC)C3)C2)nn1 ZINC001071216516 784757867 /nfs/dbraw/zinc/75/78/67/784757867.db2.gz RJNYZRYEYGEILT-QAPCUYQASA-N 1 1 343.431 0.793 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C[C@@H](C)O2 ZINC001071218161 784760504 /nfs/dbraw/zinc/76/05/04/784760504.db2.gz JYLIEPHYTSVERE-ACJLOTCBSA-N 1 1 349.431 0.307 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001070861448 784761411 /nfs/dbraw/zinc/76/14/11/784761411.db2.gz OGAUPMHTCBLCNR-CYBMUJFWSA-N 1 1 326.466 0.691 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CCC=C)nn1)C[C@H](C)O2 ZINC001071219671 784764922 /nfs/dbraw/zinc/76/49/22/784764922.db2.gz WVDKOLUBHUVWAI-YJBOKZPZSA-N 1 1 343.431 0.793 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(CCC=C)nn1)C[C@H](C)O2 ZINC001071219671 784764930 /nfs/dbraw/zinc/76/49/30/784764930.db2.gz WVDKOLUBHUVWAI-YJBOKZPZSA-N 1 1 343.431 0.793 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)C[C@H](C)O2 ZINC001071221648 784771833 /nfs/dbraw/zinc/77/18/33/784771833.db2.gz TYGGOAHSGAQJIW-GUYCJALGSA-N 1 1 340.387 0.063 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)C[C@H](C)O2 ZINC001071221648 784771840 /nfs/dbraw/zinc/77/18/40/784771840.db2.gz TYGGOAHSGAQJIW-GUYCJALGSA-N 1 1 340.387 0.063 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nonc1C)C[C@@H](C)O2 ZINC001071228258 784787995 /nfs/dbraw/zinc/78/79/95/784787995.db2.gz RNKPNGCNDXQYJA-CXAGYDPISA-N 1 1 332.404 0.636 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnn3cc[nH]c13)C[C@H](C)O2 ZINC001071235779 784803344 /nfs/dbraw/zinc/80/33/44/784803344.db2.gz KCZLJZAVMJZMLF-KSSFIOAISA-N 1 1 341.415 0.991 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCCCC1=O)C[C@@H](C)O2 ZINC001071238532 784807540 /nfs/dbraw/zinc/80/75/40/784807540.db2.gz NVMMMWLWQNUZIC-APWZRJJASA-N 1 1 347.459 0.714 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(F)F)C1 ZINC001070900290 784807771 /nfs/dbraw/zinc/80/77/71/784807771.db2.gz HQGWDGSWNYPBOO-TUAOUCFPSA-N 1 1 327.331 0.381 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(F)F)C1 ZINC001070900290 784807778 /nfs/dbraw/zinc/80/77/78/784807778.db2.gz HQGWDGSWNYPBOO-TUAOUCFPSA-N 1 1 327.331 0.381 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nccnc1C(N)=O)C[C@@H](C)O2 ZINC001071238938 784809634 /nfs/dbraw/zinc/80/96/34/784809634.db2.gz UEMKFRPFJKCTHG-SJKOYZFVSA-N 1 1 345.403 0.067 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@H](C)O2 ZINC001071240291 784812967 /nfs/dbraw/zinc/81/29/67/784812967.db2.gz COIINZGKIYMSGR-SCLBCKFNSA-N 1 1 344.415 0.442 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)C[C@H](C)O2 ZINC001071240616 784813855 /nfs/dbraw/zinc/81/38/55/784813855.db2.gz IQCXUYWUEWZICQ-UGSOOPFHSA-N 1 1 342.399 0.119 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)C[C@H](C)O2 ZINC001071240616 784813862 /nfs/dbraw/zinc/81/38/62/784813862.db2.gz IQCXUYWUEWZICQ-UGSOOPFHSA-N 1 1 342.399 0.119 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@@H](C)O2 ZINC001071241621 784816483 /nfs/dbraw/zinc/81/64/83/784816483.db2.gz YBXHLKYRVHVOOQ-ACJLOTCBSA-N 1 1 346.431 0.995 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)C[C@@H](C)O2 ZINC001071245732 784825415 /nfs/dbraw/zinc/82/54/15/784825415.db2.gz IUNRVEQQQYCCPT-ACJLOTCBSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCCN1CCN([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258265 784862334 /nfs/dbraw/zinc/86/23/34/784862334.db2.gz BTBGVWOFDFIGJB-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258733 784865046 /nfs/dbraw/zinc/86/50/46/784865046.db2.gz PQRLWZBULYQWSP-CVEARBPZSA-N 1 1 334.464 0.402 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1)C1CCC1 ZINC001071265652 784889560 /nfs/dbraw/zinc/88/95/60/784889560.db2.gz PEHDDEKTINLAFX-MRXNPFEDSA-N 1 1 347.463 0.129 20 30 ECEDMO C=CCN1CCN([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C(=O)C1 ZINC001071267050 784892169 /nfs/dbraw/zinc/89/21/69/784892169.db2.gz CWQMICHUHADTFS-DLBZAZTESA-N 1 1 348.491 0.792 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cn[nH]n3)C2)C(=O)C1 ZINC001071267615 784892765 /nfs/dbraw/zinc/89/27/65/784892765.db2.gz MQEKQPFSYATHSX-ZDUSSCGKSA-N 1 1 332.408 0.130 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cn[nH]n3)C2)C(=O)C1 ZINC001071267615 784892774 /nfs/dbraw/zinc/89/27/74/784892774.db2.gz MQEKQPFSYATHSX-ZDUSSCGKSA-N 1 1 332.408 0.130 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3csnn3)C2)C(=O)C1 ZINC001071268918 784897316 /nfs/dbraw/zinc/89/73/16/784897316.db2.gz DZNMUUNTHQTLSK-ZDUSSCGKSA-N 1 1 349.460 0.863 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3csnn3)C2)C(=O)C1 ZINC001071268918 784897323 /nfs/dbraw/zinc/89/73/23/784897323.db2.gz DZNMUUNTHQTLSK-ZDUSSCGKSA-N 1 1 349.460 0.863 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3n[nH]nc3C)C2)C(=O)C1 ZINC001071268970 784897662 /nfs/dbraw/zinc/89/76/62/784897662.db2.gz GPSVDPLWZCYGMZ-CQSZACIVSA-N 1 1 346.435 0.438 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3n[nH]nc3C)C2)C(=O)C1 ZINC001071268970 784897671 /nfs/dbraw/zinc/89/76/71/784897671.db2.gz GPSVDPLWZCYGMZ-CQSZACIVSA-N 1 1 346.435 0.438 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cccnn3)C2)C(=O)C1 ZINC001071275367 784915097 /nfs/dbraw/zinc/91/50/97/784915097.db2.gz DNFONKKKOKDRLB-OAHLLOKOSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cccnn3)C2)C(=O)C1 ZINC001071275367 784915103 /nfs/dbraw/zinc/91/51/03/784915103.db2.gz DNFONKKKOKDRLB-OAHLLOKOSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277143 784922621 /nfs/dbraw/zinc/92/26/21/784922621.db2.gz LMHCOZFNLSZZNS-DLBZAZTESA-N 1 1 348.491 0.649 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001071320843 784948953 /nfs/dbraw/zinc/94/89/53/784948953.db2.gz ZAWURZJXPWGRFO-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001071346014 784986801 /nfs/dbraw/zinc/98/68/01/784986801.db2.gz AYGGNQHPKWPOMC-JKSUJKDBSA-N 1 1 335.448 0.475 20 30 ECEDMO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001068751806 791071426 /nfs/dbraw/zinc/07/14/26/791071426.db2.gz SJKDPIUJLPPMMJ-LSDHHAIUSA-N 1 1 335.448 0.923 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CCN1CCNC1=O ZINC001071414655 785063393 /nfs/dbraw/zinc/06/33/93/785063393.db2.gz VFDWGQMSBULGBO-OCCSQVGLSA-N 1 1 344.419 0.494 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CCN1CCNC1=O ZINC001071438373 785088605 /nfs/dbraw/zinc/08/86/05/785088605.db2.gz OKMGQYBHALGJEZ-OCCSQVGLSA-N 1 1 344.419 0.494 20 30 ECEDMO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001071779186 785092873 /nfs/dbraw/zinc/09/28/73/785092873.db2.gz FYGUPDOPEVBKBO-TZMCWYRMSA-N 1 1 330.388 0.543 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001071779185 785092978 /nfs/dbraw/zinc/09/29/78/785092978.db2.gz FYGUPDOPEVBKBO-OCCSQVGLSA-N 1 1 330.388 0.543 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCn3cccn3)C2)nn1 ZINC001071884128 785269841 /nfs/dbraw/zinc/26/98/41/785269841.db2.gz YEEHICAWZAVTNL-GJZGRUSLSA-N 1 1 343.435 0.944 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cccc(OCC(N)=O)c2)CC[C@H]1C ZINC001071541530 785274010 /nfs/dbraw/zinc/27/40/10/785274010.db2.gz ALSXIJPHKKKIFR-UKRRQHHQSA-N 1 1 329.400 0.767 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001068763940 791096824 /nfs/dbraw/zinc/09/68/24/791096824.db2.gz FYPYABLALDDNFS-LSDHHAIUSA-N 1 1 333.432 0.226 20 30 ECEDMO C=CCOCC(=O)N[C@H]1COC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001068764336 791098874 /nfs/dbraw/zinc/09/88/74/791098874.db2.gz OIZKDEGIQJTXQR-CQSZACIVSA-N 1 1 339.436 0.017 20 30 ECEDMO CC#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001068767254 791104372 /nfs/dbraw/zinc/10/43/72/791104372.db2.gz OXYJNRWQRHJTIQ-JKSUJKDBSA-N 1 1 347.459 0.760 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)CC[C@@H]1C ZINC001071631567 785420326 /nfs/dbraw/zinc/42/03/26/785420326.db2.gz OIRKZSKMWQGSTP-KBPBESRZSA-N 1 1 342.403 0.926 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C ZINC001071972180 785446322 /nfs/dbraw/zinc/44/63/22/785446322.db2.gz SUUNADFUHBFLLI-KGLIPLIRSA-N 1 1 336.436 0.864 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071658881 785465694 /nfs/dbraw/zinc/46/56/94/785465694.db2.gz QUXGWTJQYLYKAF-QWHCGFSZSA-N 1 1 340.493 0.937 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC[C@H]1C ZINC001071686239 785520031 /nfs/dbraw/zinc/52/00/31/785520031.db2.gz PWUIAPPCKVNRMN-CABCVRRESA-N 1 1 341.477 0.404 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@H]1C ZINC001071702328 785556009 /nfs/dbraw/zinc/55/60/09/785556009.db2.gz XZDVKLUDLUHQKJ-OLZOCXBDSA-N 1 1 327.388 0.547 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC[C@H]1C ZINC001071702328 785556015 /nfs/dbraw/zinc/55/60/15/785556015.db2.gz XZDVKLUDLUHQKJ-OLZOCXBDSA-N 1 1 327.388 0.547 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1C ZINC001072048720 785572051 /nfs/dbraw/zinc/57/20/51/785572051.db2.gz LTCVTDTWDAFFRD-OLZOCXBDSA-N 1 1 334.420 0.309 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1C ZINC001072050482 785574184 /nfs/dbraw/zinc/57/41/84/785574184.db2.gz YFLZPCVUKQYASO-STQMWFEESA-N 1 1 336.436 0.862 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@@H]1C ZINC001071721533 785585476 /nfs/dbraw/zinc/58/54/76/785585476.db2.gz RSMQWSNIRIHEHQ-UONOGXRCSA-N 1 1 327.388 0.098 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)C(C)(F)F)C3)C2)C1=O ZINC001072391297 786124542 /nfs/dbraw/zinc/12/45/42/786124542.db2.gz BMKLZWPYUSJHCE-LBPRGKRZSA-N 1 1 327.375 0.963 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001072401297 786138583 /nfs/dbraw/zinc/13/85/83/786138583.db2.gz LBJCHUOSTAQWBC-DZGCQCFKSA-N 1 1 334.420 0.747 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001072476072 786239761 /nfs/dbraw/zinc/23/97/61/786239761.db2.gz LCFUUSYSNCQNPV-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072476989 786240682 /nfs/dbraw/zinc/24/06/82/786240682.db2.gz XRBBXXJBBFHDHW-UONOGXRCSA-N 1 1 340.493 0.938 20 30 ECEDMO C=CCCOCC(=O)N[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001072481271 786254771 /nfs/dbraw/zinc/25/47/71/786254771.db2.gz OAIKABPSHGHVCD-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001074215726 786450370 /nfs/dbraw/zinc/45/03/70/786450370.db2.gz MMNYHSQHLUFZSB-SJORKVTESA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001074215726 786450374 /nfs/dbraw/zinc/45/03/74/786450374.db2.gz MMNYHSQHLUFZSB-SJORKVTESA-N 1 1 337.464 0.587 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)c3ccc[nH]3)C2)C1=O ZINC001073534017 786498277 /nfs/dbraw/zinc/49/82/77/786498277.db2.gz RVUWABGEELTXGB-HOCLYGCPSA-N 1 1 346.431 0.622 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)c3ccc[nH]3)C2)C1=O ZINC001073534017 786498281 /nfs/dbraw/zinc/49/82/81/786498281.db2.gz RVUWABGEELTXGB-HOCLYGCPSA-N 1 1 346.431 0.622 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C[C@H]21 ZINC001074267092 786547920 /nfs/dbraw/zinc/54/79/20/786547920.db2.gz WRVIQGYNUOAGKC-CABCVRRESA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C[C@H]21 ZINC001074267092 786547927 /nfs/dbraw/zinc/54/79/27/786547927.db2.gz WRVIQGYNUOAGKC-CABCVRRESA-N 1 1 342.403 0.844 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001073551638 786563859 /nfs/dbraw/zinc/56/38/59/786563859.db2.gz TWLVNGMYFGJTJW-DOTOQJQBSA-N 1 1 348.491 0.505 20 30 ECEDMO C=CCCC(=O)N1CCN(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001073551466 786563890 /nfs/dbraw/zinc/56/38/90/786563890.db2.gz OJJBYSHAGQYSNF-MRXNPFEDSA-N 1 1 348.491 0.792 20 30 ECEDMO Cn1cc(C[N@@H+]2CCCO[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001073577086 786659989 /nfs/dbraw/zinc/65/99/89/786659989.db2.gz MDPQYXJSAFBNQJ-MRXNPFEDSA-N 1 1 342.403 0.641 20 30 ECEDMO Cn1cc(C[N@H+]2CCCO[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001073577086 786659993 /nfs/dbraw/zinc/65/99/93/786659993.db2.gz MDPQYXJSAFBNQJ-MRXNPFEDSA-N 1 1 342.403 0.641 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001073578340 786666672 /nfs/dbraw/zinc/66/66/72/786666672.db2.gz JNXSURFWIUSDOA-CVEARBPZSA-N 1 1 325.453 0.490 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 ZINC001074335710 786698029 /nfs/dbraw/zinc/69/80/29/786698029.db2.gz CLEJDMFPKROLDL-HOTGVXAUSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 ZINC001074335710 786698034 /nfs/dbraw/zinc/69/80/34/786698034.db2.gz CLEJDMFPKROLDL-HOTGVXAUSA-N 1 1 331.416 0.877 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@H]21 ZINC001074341680 786713036 /nfs/dbraw/zinc/71/30/36/786713036.db2.gz WACMNJBWYBHCDT-CVEARBPZSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@H]21 ZINC001074341680 786713045 /nfs/dbraw/zinc/71/30/45/786713045.db2.gz WACMNJBWYBHCDT-CVEARBPZSA-N 1 1 333.436 0.626 20 30 ECEDMO C#CCN1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001074348435 786728182 /nfs/dbraw/zinc/72/81/82/786728182.db2.gz MPXVEMMBBMBTPW-JKSUJKDBSA-N 1 1 330.432 0.941 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 ZINC001073603293 786753373 /nfs/dbraw/zinc/75/33/73/786753373.db2.gz BSWOPNVVIVEMSE-AWEZNQCLSA-N 1 1 333.436 0.939 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001073614983 786773981 /nfs/dbraw/zinc/77/39/81/786773981.db2.gz DIZAMEWRCXUTMF-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001073614983 786773988 /nfs/dbraw/zinc/77/39/88/786773988.db2.gz DIZAMEWRCXUTMF-LLVKDONJSA-N 1 1 344.337 0.893 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001073615377 786775300 /nfs/dbraw/zinc/77/53/00/786775300.db2.gz JJZTWCLDVROOTR-AWEZNQCLSA-N 1 1 344.419 0.911 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001073615892 786776384 /nfs/dbraw/zinc/77/63/84/786776384.db2.gz PWTOISKFDAHPLS-MRXNPFEDSA-N 1 1 342.399 0.978 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001073615892 786776392 /nfs/dbraw/zinc/77/63/92/786776392.db2.gz PWTOISKFDAHPLS-MRXNPFEDSA-N 1 1 342.399 0.978 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3nccn32)C1 ZINC001073633684 786826235 /nfs/dbraw/zinc/82/62/35/786826235.db2.gz CQYAEMLDEJHNMU-JKSUJKDBSA-N 1 1 330.432 0.991 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001073634583 786830239 /nfs/dbraw/zinc/83/02/39/786830239.db2.gz TWZBUBUJJSAPJQ-HOCLYGCPSA-N 1 1 328.416 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001073634583 786830248 /nfs/dbraw/zinc/83/02/48/786830248.db2.gz TWZBUBUJJSAPJQ-HOCLYGCPSA-N 1 1 328.416 0.422 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001073645386 786862426 /nfs/dbraw/zinc/86/24/26/786862426.db2.gz LKQALNVFXIDPPG-JKSUJKDBSA-N 1 1 345.447 0.839 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001074403201 786869453 /nfs/dbraw/zinc/86/94/53/786869453.db2.gz RWQNQGVSQMHZKF-UONOGXRCSA-N 1 1 335.404 0.013 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001074403201 786869454 /nfs/dbraw/zinc/86/94/54/786869454.db2.gz RWQNQGVSQMHZKF-UONOGXRCSA-N 1 1 335.404 0.013 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccn(CC(F)F)n2)C1 ZINC001073649329 786872028 /nfs/dbraw/zinc/87/20/28/786872028.db2.gz SKCDFCPVPVNPLM-GFCCVEGCSA-N 1 1 326.347 0.602 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CC(F)F)n2)C1 ZINC001073649329 786872042 /nfs/dbraw/zinc/87/20/42/786872042.db2.gz SKCDFCPVPVNPLM-GFCCVEGCSA-N 1 1 326.347 0.602 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@H]21 ZINC001074410160 786895319 /nfs/dbraw/zinc/89/53/19/786895319.db2.gz MZKQVZFWOCZJAI-HUUCEWRRSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@H]21 ZINC001074410160 786895323 /nfs/dbraw/zinc/89/53/23/786895323.db2.gz MZKQVZFWOCZJAI-HUUCEWRRSA-N 1 1 344.415 0.672 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001073660531 786902302 /nfs/dbraw/zinc/90/23/02/786902302.db2.gz HIMMYTHNMVVMCD-CQSZACIVSA-N 1 1 332.404 0.257 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001073660531 786902308 /nfs/dbraw/zinc/90/23/08/786902308.db2.gz HIMMYTHNMVVMCD-CQSZACIVSA-N 1 1 332.404 0.257 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001073664864 786912301 /nfs/dbraw/zinc/91/23/01/786912301.db2.gz QRCBUFHZTGTJPD-RDJZCZTQSA-N 1 1 330.432 0.676 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001073681732 786959050 /nfs/dbraw/zinc/95/90/50/786959050.db2.gz WYLGNBKOLWOIFE-ZDUSSCGKSA-N 1 1 346.387 0.419 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001073696855 786990576 /nfs/dbraw/zinc/99/05/76/786990576.db2.gz QXOOSEUTIZXXAV-ZDUSSCGKSA-N 1 1 330.392 0.370 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2nnc3ccccc3n2)C1 ZINC001073696894 786990805 /nfs/dbraw/zinc/99/08/05/786990805.db2.gz RZBYDLQIRBLJHJ-AWEZNQCLSA-N 1 1 339.399 0.869 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2nnc3ccccc3n2)C1 ZINC001073696894 786990809 /nfs/dbraw/zinc/99/08/09/786990809.db2.gz RZBYDLQIRBLJHJ-AWEZNQCLSA-N 1 1 339.399 0.869 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001073703638 787009068 /nfs/dbraw/zinc/00/90/68/787009068.db2.gz UQDTXKAAPRAFKF-HOTGVXAUSA-N 1 1 345.447 0.461 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)cc1 ZINC001073723316 787062193 /nfs/dbraw/zinc/06/21/93/787062193.db2.gz GJHAQQHCHFWPSD-IRXDYDNUSA-N 1 1 341.411 0.377 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)cc1 ZINC001073723316 787062203 /nfs/dbraw/zinc/06/22/03/787062203.db2.gz GJHAQQHCHFWPSD-IRXDYDNUSA-N 1 1 341.411 0.377 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001073739964 787091226 /nfs/dbraw/zinc/09/12/26/787091226.db2.gz ADAQJSZXSFJSTH-ROUUACIJSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001073739964 787091230 /nfs/dbraw/zinc/09/12/30/787091230.db2.gz ADAQJSZXSFJSTH-ROUUACIJSA-N 1 1 349.475 0.470 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001073749248 787124860 /nfs/dbraw/zinc/12/48/60/787124860.db2.gz UQRMCNHIMWUYLL-SJLPKXTDSA-N 1 1 344.459 0.984 20 30 ECEDMO C=CCCC(=O)N1CCC(O)(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001074510970 787129819 /nfs/dbraw/zinc/12/98/19/787129819.db2.gz XFWJDWHTDCUIEI-UHFFFAOYSA-N 1 1 325.453 0.764 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+](C[C@@H]3CCOC3)CCCO2)c1 ZINC001073762707 787150823 /nfs/dbraw/zinc/15/08/23/787150823.db2.gz KQVAEDXAWLJRKB-WMZOPIPTSA-N 1 1 343.427 0.920 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+](C[C@H](C)OC)CCCO2)c1 ZINC001073763235 787153660 /nfs/dbraw/zinc/15/36/60/787153660.db2.gz YVYXFMBNNNLTKN-YOEHRIQHSA-N 1 1 331.416 0.919 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001073764875 787157303 /nfs/dbraw/zinc/15/73/03/787157303.db2.gz MPHJTVXYNDOARV-SJLPKXTDSA-N 1 1 344.459 0.984 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001073804362 787233678 /nfs/dbraw/zinc/23/36/78/787233678.db2.gz JYSQTVVWHGSACN-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001073804362 787233684 /nfs/dbraw/zinc/23/36/84/787233684.db2.gz JYSQTVVWHGSACN-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001073807351 787237407 /nfs/dbraw/zinc/23/74/07/787237407.db2.gz MQZSZDURLCUCNX-SNVBAGLBSA-N 1 1 347.341 0.841 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)NCC1(O)CCN(C(=O)C#CC(C)C)CC1 ZINC001074579719 787311306 /nfs/dbraw/zinc/31/13/06/787311306.db2.gz SGJUOVDXXZNINT-UHFFFAOYSA-N 1 1 346.431 0.321 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001073837153 787317649 /nfs/dbraw/zinc/31/76/49/787317649.db2.gz LZSMPWXYCFNMOL-AWEZNQCLSA-N 1 1 334.420 0.901 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001073853638 787366080 /nfs/dbraw/zinc/36/60/80/787366080.db2.gz KQHPACUDKQFPRJ-LSDHHAIUSA-N 1 1 336.436 0.150 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccnc3nc(C)nn32)C1 ZINC001073856288 787372235 /nfs/dbraw/zinc/37/22/35/787372235.db2.gz BSQMPAVPQLJHAZ-AWEZNQCLSA-N 1 1 344.419 0.830 20 30 ECEDMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C)c1nncn1C ZINC001074609771 787385978 /nfs/dbraw/zinc/38/59/78/787385978.db2.gz ADEIUEVTBIGREH-MDZLAQPJSA-N 1 1 327.392 0.969 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001073870739 787407204 /nfs/dbraw/zinc/40/72/04/787407204.db2.gz AXAFCEDTBBEZOK-CQSZACIVSA-N 1 1 327.388 0.422 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001073870739 787407210 /nfs/dbraw/zinc/40/72/10/787407210.db2.gz AXAFCEDTBBEZOK-CQSZACIVSA-N 1 1 327.388 0.422 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 ZINC001073873664 787416420 /nfs/dbraw/zinc/41/64/20/787416420.db2.gz GRPPOJGVXKDKSH-AWEZNQCLSA-N 1 1 346.431 0.838 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001073876896 787421508 /nfs/dbraw/zinc/42/15/08/787421508.db2.gz PBTKVOCOAOCWKF-CYBMUJFWSA-N 1 1 330.392 0.439 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 ZINC001073876827 787421732 /nfs/dbraw/zinc/42/17/32/787421732.db2.gz NVTAFCQRPZBDTC-CQSZACIVSA-N 1 1 344.419 0.830 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001073886201 787435088 /nfs/dbraw/zinc/43/50/88/787435088.db2.gz JLNLLEXIKHRSRD-CQSZACIVSA-N 1 1 327.388 0.802 20 30 ECEDMO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001073886279 787437189 /nfs/dbraw/zinc/43/71/89/787437189.db2.gz LJNFQPSWMQTLFO-MRXNPFEDSA-N 1 1 342.403 0.669 20 30 ECEDMO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001074634542 787462392 /nfs/dbraw/zinc/46/23/92/787462392.db2.gz FIADVRZUZNWMRL-ZIAGYGMSSA-N 1 1 336.436 0.100 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2noc3c2COCC3)C1 ZINC001073896292 787465344 /nfs/dbraw/zinc/46/53/44/787465344.db2.gz OUKCXKITLIWYSU-CYBMUJFWSA-N 1 1 333.388 0.591 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2noc3c2COCC3)C1 ZINC001073896292 787465349 /nfs/dbraw/zinc/46/53/49/787465349.db2.gz OUKCXKITLIWYSU-CYBMUJFWSA-N 1 1 333.388 0.591 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001073901813 787482991 /nfs/dbraw/zinc/48/29/91/787482991.db2.gz GKXIMDJIGWNAAV-LSDHHAIUSA-N 1 1 331.420 0.071 20 30 ECEDMO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001074646056 787493121 /nfs/dbraw/zinc/49/31/21/787493121.db2.gz JBOYFWYYQDKXCC-MRXNPFEDSA-N 1 1 349.475 0.457 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074656214 787518854 /nfs/dbraw/zinc/51/88/54/787518854.db2.gz BLRKKSLFFAGXRT-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@@H]3CCCCN3C)[C@H]2C)C1=O ZINC001074813835 788372351 /nfs/dbraw/zinc/37/23/51/788372351.db2.gz RNBBLMNRNMMSIX-NXOAAHMSSA-N 1 1 348.491 0.837 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001074992440 788682677 /nfs/dbraw/zinc/68/26/77/788682677.db2.gz DVNDIOQIHQNVBO-HOCLYGCPSA-N 1 1 346.431 0.727 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)c3nc(OC)cc(OC)n3)C2)C1 ZINC001072856922 788974152 /nfs/dbraw/zinc/97/41/52/788974152.db2.gz ACEAGKYDXVOOEQ-UHFFFAOYSA-N 1 1 330.388 0.665 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)cc1 ZINC001072985752 789226041 /nfs/dbraw/zinc/22/60/41/789226041.db2.gz DMSUKGOLESNLCR-CVEARBPZSA-N 1 1 338.411 0.714 20 30 ECEDMO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC001073001259 789258741 /nfs/dbraw/zinc/25/87/41/789258741.db2.gz YDLHQOBCEMDRAN-AWEZNQCLSA-N 1 1 328.420 0.183 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccccn1 ZINC001075378759 789305387 /nfs/dbraw/zinc/30/53/87/789305387.db2.gz QMJOVZCQEXQHCD-HOCLYGCPSA-N 1 1 328.416 0.804 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccccn1 ZINC001075378759 789305398 /nfs/dbraw/zinc/30/53/98/789305398.db2.gz QMJOVZCQEXQHCD-HOCLYGCPSA-N 1 1 328.416 0.804 20 30 ECEDMO C=CCn1cc(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(=O)N(C)C)C3)nn1 ZINC001073043431 789334948 /nfs/dbraw/zinc/33/49/48/789334948.db2.gz YTTCWIGHXAGHLB-CYBMUJFWSA-N 1 1 346.435 0.089 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(N)=O)C2 ZINC001073045880 789339987 /nfs/dbraw/zinc/33/99/87/789339987.db2.gz BCANKYJFWBDCKI-ILXRZTDVSA-N 1 1 335.448 0.766 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnccn4)[C@@H]3C2)C1=O ZINC001075506778 789426667 /nfs/dbraw/zinc/42/66/67/789426667.db2.gz ZXPMGSYMNMFQEP-CWRNSKLLSA-N 1 1 341.415 0.410 20 30 ECEDMO CC#CC[N@H+]1CCC2(CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC001073111145 789458421 /nfs/dbraw/zinc/45/84/21/789458421.db2.gz UJOGPGYKSXXESL-CQSZACIVSA-N 1 1 329.404 0.411 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)Cc4nnc[nH]4)C3)C2)c1 ZINC001073111977 789460665 /nfs/dbraw/zinc/46/06/65/789460665.db2.gz GEHBCYZHZCRSLK-UHFFFAOYSA-N 1 1 336.399 0.953 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCCNC2=O)C3)cn1 ZINC001073138063 789511955 /nfs/dbraw/zinc/51/19/55/789511955.db2.gz ZNCXJWPKOHMXHY-INIZCTEOSA-N 1 1 338.411 0.489 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC001073150459 789530806 /nfs/dbraw/zinc/53/08/06/789530806.db2.gz WOZHSSLOLUGOFN-OAHLLOKOSA-N 1 1 341.477 0.569 20 30 ECEDMO CCC1(NC(=O)[C@H](C)C#N)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001069272869 789724502 /nfs/dbraw/zinc/72/45/02/789724502.db2.gz HWZCEUYYCSJIEP-KGLIPLIRSA-N 1 1 336.436 0.364 20 30 ECEDMO CCC1(NC(=O)[C@H](C)C#N)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001069272869 789724507 /nfs/dbraw/zinc/72/45/07/789724507.db2.gz HWZCEUYYCSJIEP-KGLIPLIRSA-N 1 1 336.436 0.364 20 30 ECEDMO C=CCOCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001073346821 789748640 /nfs/dbraw/zinc/74/86/40/789748640.db2.gz DKJWOQKKHZGXTN-CABCVRRESA-N 1 1 337.464 0.884 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001073386685 789779543 /nfs/dbraw/zinc/77/95/43/789779543.db2.gz AUBHTVZFRQBYGO-HZPDHXFCSA-N 1 1 349.475 0.720 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001073386685 789779548 /nfs/dbraw/zinc/77/95/48/789779548.db2.gz AUBHTVZFRQBYGO-HZPDHXFCSA-N 1 1 349.475 0.720 20 30 ECEDMO C#CCOCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001073393881 789785598 /nfs/dbraw/zinc/78/55/98/789785598.db2.gz QSDAGBSKMOHJLI-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)Cn4ccnc4)C3)C2)C1=O ZINC001073483705 789885854 /nfs/dbraw/zinc/88/58/54/789885854.db2.gz FJDCAOGMRITEHN-HNNXBMFYSA-N 1 1 343.431 0.204 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2C[C@@H](Nc3ccnc(C#N)n3)C(C)(C)C2)CC[N@H+]1C ZINC001069625796 789938765 /nfs/dbraw/zinc/93/87/65/789938765.db2.gz APLXMXPQXHZHNP-MGPQQGTHSA-N 1 1 342.447 0.759 20 30 ECEDMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC(Nc2ccc(C#N)nc2)C1 ZINC001069719890 789987558 /nfs/dbraw/zinc/98/75/58/789987558.db2.gz XVDQVEKTDHVVEB-UYSNPLJNSA-N 1 1 329.404 0.685 20 30 ECEDMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC(Nc2ccc(C#N)nc2)C1 ZINC001069719890 789987562 /nfs/dbraw/zinc/98/75/62/789987562.db2.gz XVDQVEKTDHVVEB-UYSNPLJNSA-N 1 1 329.404 0.685 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NCc1cccc(N2CC[C@@H](NCC#N)C2)n1 ZINC001069838404 790070775 /nfs/dbraw/zinc/07/07/75/790070775.db2.gz WFNLKYYUKOAHRT-HZPDHXFCSA-N 1 1 342.447 0.484 20 30 ECEDMO C=CCCN1CCn2ncc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)c2C1 ZINC001069856998 790106333 /nfs/dbraw/zinc/10/63/33/790106333.db2.gz VHVKDAWARYXUSM-INIZCTEOSA-N 1 1 333.436 0.222 20 30 ECEDMO C=CCCN1CCn2ncc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)c2C1 ZINC001069856998 790106335 /nfs/dbraw/zinc/10/63/35/790106335.db2.gz VHVKDAWARYXUSM-INIZCTEOSA-N 1 1 333.436 0.222 20 30 ECEDMO C=CCN1CCn2ncc(CNC(=O)c3cc(C[NH+](C)C)on3)c2C1 ZINC001069865229 790121455 /nfs/dbraw/zinc/12/14/55/790121455.db2.gz AUHOJFKWOIOENR-UHFFFAOYSA-N 1 1 344.419 0.864 20 30 ECEDMO C=CCN1CCn2ncc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)c2C1 ZINC001069882944 790148903 /nfs/dbraw/zinc/14/89/03/790148903.db2.gz JYRJYNNODQWRNR-INIZCTEOSA-N 1 1 333.436 0.222 20 30 ECEDMO C=CCN1CCn2ncc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)c2C1 ZINC001069882944 790148906 /nfs/dbraw/zinc/14/89/06/790148906.db2.gz JYRJYNNODQWRNR-INIZCTEOSA-N 1 1 333.436 0.222 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931542 790204462 /nfs/dbraw/zinc/20/44/62/790204462.db2.gz IKOGZSBETGBTGM-HZMVEIRTSA-N 1 1 344.463 0.373 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069941875 790217813 /nfs/dbraw/zinc/21/78/13/790217813.db2.gz BZLXBNJHSBVNLU-CABCVRRESA-N 1 1 329.408 0.090 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069941875 790217817 /nfs/dbraw/zinc/21/78/17/790217817.db2.gz BZLXBNJHSBVNLU-CABCVRRESA-N 1 1 329.408 0.090 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001069953481 790235203 /nfs/dbraw/zinc/23/52/03/790235203.db2.gz HMVUMHKNELXCFB-ZNMIVQPWSA-N 1 1 346.435 0.064 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2cnccc2OC)[C@@H](n2ccnn2)C1 ZINC001069958977 790240962 /nfs/dbraw/zinc/24/09/62/790240962.db2.gz WXEUZXTXNSEDAM-CABCVRRESA-N 1 1 342.403 0.452 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2cnccc2OC)[C@@H](n2ccnn2)C1 ZINC001069958977 790240967 /nfs/dbraw/zinc/24/09/67/790240967.db2.gz WXEUZXTXNSEDAM-CABCVRRESA-N 1 1 342.403 0.452 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)/C(C)=C\C)CO2 ZINC001068808724 791173605 /nfs/dbraw/zinc/17/36/05/791173605.db2.gz KXDZUBNEYWWQEH-NPAYWXBFSA-N 1 1 345.443 0.536 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)/C(C)=C\C)CO2 ZINC001068808724 791173612 /nfs/dbraw/zinc/17/36/12/791173612.db2.gz KXDZUBNEYWWQEH-NPAYWXBFSA-N 1 1 345.443 0.536 20 30 ECEDMO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001068858512 791278374 /nfs/dbraw/zinc/27/83/74/791278374.db2.gz FZBHMNFTYHDDRI-HOTGVXAUSA-N 1 1 347.459 0.474 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001068861044 791289476 /nfs/dbraw/zinc/28/94/76/791289476.db2.gz XSEGTCLMWZNTNZ-OAHLLOKOSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CCCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068873261 791317288 /nfs/dbraw/zinc/31/72/88/791317288.db2.gz BCZVZLHOZCDVLA-CVEARBPZSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068873795 791318653 /nfs/dbraw/zinc/31/86/53/791318653.db2.gz HRINLNLIGIZDIK-CABCVRRESA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001068935078 791453301 /nfs/dbraw/zinc/45/33/01/791453301.db2.gz LHTLPMIHGCIRQZ-CABCVRRESA-N 1 1 335.448 0.781 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)CO2 ZINC001069038899 791632790 /nfs/dbraw/zinc/63/27/90/791632790.db2.gz AVHKJOCALAMBJJ-HOTGVXAUSA-N 1 1 347.459 0.616 20 30 ECEDMO C[N@@H+](CC(=O)N1CCO[C@H](CNc2cnc(C#N)cn2)C1)C1CCC1 ZINC001066688227 791994672 /nfs/dbraw/zinc/99/46/72/791994672.db2.gz YFXZKWGWEXZMRH-OAHLLOKOSA-N 1 1 344.419 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2ccc(C)nn2)C1 ZINC001066691005 792001866 /nfs/dbraw/zinc/00/18/66/792001866.db2.gz ZWKCKNJDDPWDDL-HOTGVXAUSA-N 1 1 343.431 0.522 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNc2ccc(C)nn2)C1 ZINC001066691005 792001876 /nfs/dbraw/zinc/00/18/76/792001876.db2.gz ZWKCKNJDDPWDDL-HOTGVXAUSA-N 1 1 343.431 0.522 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)CC2)C1 ZINC001066736426 792071577 /nfs/dbraw/zinc/07/15/77/792071577.db2.gz MZMALXYTXHYOGZ-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3nccnc3C#N)CC2)C1 ZINC001066736426 792071588 /nfs/dbraw/zinc/07/15/88/792071588.db2.gz MZMALXYTXHYOGZ-UKRRQHHQSA-N 1 1 344.419 0.154 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066750144 792097064 /nfs/dbraw/zinc/09/70/64/792097064.db2.gz JUPMKWMKYRKBTG-UONOGXRCSA-N 1 1 328.420 0.775 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2ccc(C#N)nc2)C1 ZINC001066891345 792294517 /nfs/dbraw/zinc/29/45/17/792294517.db2.gz XYUORIAEHIOJIT-WMZOPIPTSA-N 1 1 343.431 0.813 20 30 ECEDMO Cc1cc(NCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C#N)cn1 ZINC001067852182 792371356 /nfs/dbraw/zinc/37/13/56/792371356.db2.gz QFNNAUVVLAWYPJ-NPCAHTBFSA-N 1 1 327.432 0.942 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNc2nccc(OC)n2)C1 ZINC001067897854 792441617 /nfs/dbraw/zinc/44/16/17/792441617.db2.gz LWVPKCPHRAKQAM-NRXISQOPSA-N 1 1 343.431 0.890 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNc2nccc(OC)n2)C1 ZINC001067897854 792441623 /nfs/dbraw/zinc/44/16/23/792441623.db2.gz LWVPKCPHRAKQAM-NRXISQOPSA-N 1 1 343.431 0.890 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H](CC)OC ZINC001066978996 792505420 /nfs/dbraw/zinc/50/54/20/792505420.db2.gz IEHBJRZTXUMBHT-JKSUJKDBSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H](CC)OC ZINC001066978996 792505427 /nfs/dbraw/zinc/50/54/27/792505427.db2.gz IEHBJRZTXUMBHT-JKSUJKDBSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@@H](C)OC ZINC001066984663 792513770 /nfs/dbraw/zinc/51/37/70/792513770.db2.gz KRBXQFOGEKWTNL-CVEARBPZSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@@H](C)OC ZINC001066984663 792513778 /nfs/dbraw/zinc/51/37/78/792513778.db2.gz KRBXQFOGEKWTNL-CVEARBPZSA-N 1 1 337.464 0.816 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC001068113908 792694376 /nfs/dbraw/zinc/69/43/76/792694376.db2.gz UWSOUIQSJWAOJF-ZFWWWQNUSA-N 1 1 342.447 0.939 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2C#N)C1 ZINC001067108480 792705307 /nfs/dbraw/zinc/70/53/07/792705307.db2.gz LJKGZNYDKVOVDA-RISCZKNCSA-N 1 1 325.376 0.812 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1nccnc1C#N ZINC001067117169 792715131 /nfs/dbraw/zinc/71/51/31/792715131.db2.gz FJRLRSWUPIAXPP-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001068127421 792718354 /nfs/dbraw/zinc/71/83/54/792718354.db2.gz ZKAXLMQWPJCSMF-AWEZNQCLSA-N 1 1 339.403 0.884 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4C#N)C[C@H]32)C1 ZINC001068174967 792786822 /nfs/dbraw/zinc/78/68/22/792786822.db2.gz JJSZYYORSCOLEA-XDQVBPFNSA-N 1 1 326.404 0.098 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001068357058 793118349 /nfs/dbraw/zinc/11/83/49/793118349.db2.gz OVSXJITURJOODA-HNNXBMFYSA-N 1 1 333.432 0.324 20 30 ECEDMO C#CCOCCC(=O)N(C)CCCN(C)C(=O)CCc1cnc[nH]1 ZINC001067427915 793142141 /nfs/dbraw/zinc/14/21/41/793142141.db2.gz UBYOKBQEFZOQBK-UHFFFAOYSA-N 1 1 334.420 0.689 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001068394128 793199373 /nfs/dbraw/zinc/19/93/73/793199373.db2.gz LIDPDQNXHJJUOR-UHFFFAOYSA-N 1 1 347.459 0.570 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001068451834 793334803 /nfs/dbraw/zinc/33/48/03/793334803.db2.gz UFUAJBICOOGFJC-ZDUSSCGKSA-N 1 1 336.436 0.316 20 30 ECEDMO C#CCOCCC(=O)N(CCC)[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001267459813 837447274 /nfs/dbraw/zinc/44/72/74/837447274.db2.gz NNXNQMOCCFYVKS-CVEARBPZSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2cccn2C)C1 ZINC001267509032 837598216 /nfs/dbraw/zinc/59/82/16/837598216.db2.gz PHRTWSDZFZWVPJ-HUUCEWRRSA-N 1 1 330.432 0.605 20 30 ECEDMO C=CC[N@H+](CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(C)C ZINC001267510784 837602517 /nfs/dbraw/zinc/60/25/17/837602517.db2.gz BETCZESPCLTVCW-OAHLLOKOSA-N 1 1 331.482 0.861 20 30 ECEDMO N#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCO1)c1ccccc1 ZINC001267516982 837610903 /nfs/dbraw/zinc/61/09/03/837610903.db2.gz IHRWCWLKVAGVGL-CABCVRRESA-N 1 1 330.388 0.252 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001267525032 837687023 /nfs/dbraw/zinc/68/70/23/837687023.db2.gz XSFJOQMRUPNEFH-CYBMUJFWSA-N 1 1 327.388 0.078 20 30 ECEDMO C#CCCCCC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001267525027 837687153 /nfs/dbraw/zinc/68/71/53/837687153.db2.gz XPHGZPCKYPJBJW-QGZVFWFLSA-N 1 1 349.475 0.867 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)COCc2cc(C)on2)C1 ZINC001267535582 837713390 /nfs/dbraw/zinc/71/33/90/837713390.db2.gz BCGKFIZFHJJSRY-INIZCTEOSA-N 1 1 349.431 0.978 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2ncc(OC)cn2)C1 ZINC001267544733 837733394 /nfs/dbraw/zinc/73/33/94/837733394.db2.gz MXQOGHOXYBDECG-AWEZNQCLSA-N 1 1 332.404 0.577 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001267548494 837746747 /nfs/dbraw/zinc/74/67/47/837746747.db2.gz GPQUBJRSLMERFC-LLVKDONJSA-N 1 1 334.376 0.456 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2[nH]nnc2C)C1 ZINC001267551861 837753793 /nfs/dbraw/zinc/75/37/93/837753793.db2.gz HXZIXMYGALKUND-CHWSQXEVSA-N 1 1 334.424 0.246 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001267554747 837760258 /nfs/dbraw/zinc/76/02/58/837760258.db2.gz BMMLHSDUAVRCCR-LSDHHAIUSA-N 1 1 337.464 0.768 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)C2C=CC=CC=C2)C1 ZINC001267559326 837768841 /nfs/dbraw/zinc/76/88/41/837768841.db2.gz SEPYFMGNPDMALX-INIZCTEOSA-N 1 1 327.428 0.862 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2coc(OCC)n2)C1 ZINC001267561575 837772871 /nfs/dbraw/zinc/77/28/71/837772871.db2.gz SBFAOHLRFAWKAP-ZDUSSCGKSA-N 1 1 348.403 0.265 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2cnoc2)C1 ZINC001267562798 837775271 /nfs/dbraw/zinc/77/52/71/837775271.db2.gz MPDGJDLQHRQGKM-KBPBESRZSA-N 1 1 332.404 0.183 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001267568470 837790200 /nfs/dbraw/zinc/79/02/00/837790200.db2.gz JCHVQDJQIYFIDE-HNNXBMFYSA-N 1 1 345.447 0.233 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)C[C@H]2CCOC[C@H]2OC)CC1 ZINC001267572894 837811269 /nfs/dbraw/zinc/81/12/69/837811269.db2.gz ANLUBIAXARKHKD-IAGOWNOFSA-N 1 1 337.464 0.137 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2ccc3cccnn32)CC1 ZINC001267576491 837830310 /nfs/dbraw/zinc/83/03/10/837830310.db2.gz ZBYPMJWLZOELJW-UHFFFAOYSA-N 1 1 325.416 0.657 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001267576733 837830832 /nfs/dbraw/zinc/83/08/32/837830832.db2.gz XFGDFWQHCJULHD-ZDUSSCGKSA-N 1 1 334.420 0.102 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C2CCC2)C1 ZINC001267577229 837833577 /nfs/dbraw/zinc/83/35/77/837833577.db2.gz JBQKDDQNZMVWFJ-CYBMUJFWSA-N 1 1 336.436 0.579 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC001266252345 835557575 /nfs/dbraw/zinc/55/75/75/835557575.db2.gz RYNSJIYVQKDHOF-OAHLLOKOSA-N 1 1 329.400 0.768 20 30 ECEDMO CO[C@H](C)CN1CC[NH+](CCCNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001266260232 835570369 /nfs/dbraw/zinc/57/03/69/835570369.db2.gz QCUQFXAVCQTOIS-CQSZACIVSA-N 1 1 333.436 0.659 20 30 ECEDMO N#CCN1CC[NH+](CCCNC(=O)Cn2ccc(C(F)F)n2)CC1 ZINC001266265098 835578217 /nfs/dbraw/zinc/57/82/17/835578217.db2.gz VJPHBQWYLUKYJV-UHFFFAOYSA-N 1 1 340.378 0.468 20 30 ECEDMO CC#CC[NH+]1CCN(CCCNC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC001266265178 835579754 /nfs/dbraw/zinc/57/97/54/835579754.db2.gz YJNKPDDQUHLCAJ-UHFFFAOYSA-N 1 1 344.459 0.455 20 30 ECEDMO CC#CCN1CC[NH+](CCCNC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC001266265178 835579758 /nfs/dbraw/zinc/57/97/58/835579758.db2.gz YJNKPDDQUHLCAJ-UHFFFAOYSA-N 1 1 344.459 0.455 20 30 ECEDMO C#Cc1ccc(C(=O)NCCC[NH+]2CCN(CC(=O)NC)CC2)cc1 ZINC001266269654 835588812 /nfs/dbraw/zinc/58/88/12/835588812.db2.gz NFTDAXDOJZJGSW-UHFFFAOYSA-N 1 1 342.443 0.151 20 30 ECEDMO CC#CCCCC(=O)NCCC[NH+]1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC001266269926 835590118 /nfs/dbraw/zinc/59/01/18/835590118.db2.gz TVTHRROSPBFENH-QGZVFWFLSA-N 1 1 348.491 0.535 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)c1cn(CC(F)F)nc1C ZINC001266286451 835623736 /nfs/dbraw/zinc/62/37/36/835623736.db2.gz MVPIFXJOWYMZEA-UHFFFAOYSA-N 1 1 328.363 0.768 20 30 ECEDMO C#CC[NH+]1CCN(CCNC(=O)[C@@H](C)OCc2ccccc2)CC1 ZINC001266294748 835641005 /nfs/dbraw/zinc/64/10/05/835641005.db2.gz JSDHWENMUHVSMH-QGZVFWFLSA-N 1 1 329.444 0.959 20 30 ECEDMO C#CCCN1CCN(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001266297915 835650013 /nfs/dbraw/zinc/65/00/13/835650013.db2.gz XMQXHNLGULSFAW-QZTJIDSGSA-N 1 1 334.508 0.864 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001266302808 835665430 /nfs/dbraw/zinc/66/54/30/835665430.db2.gz VAKOJQVJUZDMEE-ZFWWWQNUSA-N 1 1 338.452 0.126 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001266302808 835665433 /nfs/dbraw/zinc/66/54/33/835665433.db2.gz VAKOJQVJUZDMEE-ZFWWWQNUSA-N 1 1 338.452 0.126 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001266314344 835681883 /nfs/dbraw/zinc/68/18/83/835681883.db2.gz WRVSRSTVRMBKDZ-UONOGXRCSA-N 1 1 347.463 0.264 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001266314344 835681891 /nfs/dbraw/zinc/68/18/91/835681891.db2.gz WRVSRSTVRMBKDZ-UONOGXRCSA-N 1 1 347.463 0.264 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC001266318022 835686455 /nfs/dbraw/zinc/68/64/55/835686455.db2.gz XQRNHJCUVSYEND-HOTGVXAUSA-N 1 1 338.448 0.537 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001266325934 835704014 /nfs/dbraw/zinc/70/40/14/835704014.db2.gz VEUXTZPAKSNNLM-JSGCOSHPSA-N 1 1 347.390 0.776 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001266325934 835704022 /nfs/dbraw/zinc/70/40/22/835704022.db2.gz VEUXTZPAKSNNLM-JSGCOSHPSA-N 1 1 347.390 0.776 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn(C)nc1Cl ZINC001266347747 835740530 /nfs/dbraw/zinc/74/05/30/835740530.db2.gz PPWFCONLEJJHDX-JTQLQIEISA-N 1 1 327.816 0.426 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn(C)nc1Cl ZINC001266347747 835740537 /nfs/dbraw/zinc/74/05/37/835740537.db2.gz PPWFCONLEJJHDX-JTQLQIEISA-N 1 1 327.816 0.426 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](C)CCOC[C@H]2CCCO2)nc1 ZINC001266350663 835747275 /nfs/dbraw/zinc/74/72/75/835747275.db2.gz PMERKKPSPXXOBI-MRXNPFEDSA-N 1 1 331.416 0.920 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001266350795 835747796 /nfs/dbraw/zinc/74/77/96/835747796.db2.gz YCQDWCNTGHCMOC-HNNXBMFYSA-N 1 1 334.420 0.253 20 30 ECEDMO C=CCC[NH+]1CC(CCO)(NC(=O)CCNC(=O)C(C)(C)C)C1 ZINC001282530979 835752185 /nfs/dbraw/zinc/75/21/85/835752185.db2.gz SGWYHDSFPXVHSL-UHFFFAOYSA-N 1 1 325.453 0.668 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001266362204 835772206 /nfs/dbraw/zinc/77/22/06/835772206.db2.gz ZKNMGXJLAVFPLD-OLZOCXBDSA-N 1 1 348.472 0.576 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001266362204 835772215 /nfs/dbraw/zinc/77/22/15/835772215.db2.gz ZKNMGXJLAVFPLD-OLZOCXBDSA-N 1 1 348.472 0.576 20 30 ECEDMO N#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)CC[C@@H]2CCOC2)CC1 ZINC001266368112 835779596 /nfs/dbraw/zinc/77/95/96/835779596.db2.gz DCJBNHXFLIVMKB-HUUCEWRRSA-N 1 1 348.447 0.414 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ccc(C#N)[nH]1)CCN1C(=O)CCC1=O ZINC001266386257 835797083 /nfs/dbraw/zinc/79/70/83/835797083.db2.gz XLMWXHUMQMERFD-UHFFFAOYSA-N 1 1 331.376 0.087 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](CNC(=O)c1[nH]nc2c1CCC2)C1CC1 ZINC001266419096 835824425 /nfs/dbraw/zinc/82/44/25/835824425.db2.gz WODAZTDTEZEKHY-AWEZNQCLSA-N 1 1 331.420 0.299 20 30 ECEDMO CC[N@H+](CCNC(=O)c1cc2ccccc2[nH]1)CC(=O)NCC#N ZINC001266434843 835838758 /nfs/dbraw/zinc/83/87/58/835838758.db2.gz QDULIYDKPOWUJC-UHFFFAOYSA-N 1 1 327.388 0.859 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1cc2ccccc2[nH]1)CC(=O)NCC#N ZINC001266434843 835838764 /nfs/dbraw/zinc/83/87/64/835838764.db2.gz QDULIYDKPOWUJC-UHFFFAOYSA-N 1 1 327.388 0.859 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)CCO)C1 ZINC001266472040 835875735 /nfs/dbraw/zinc/87/57/35/835875735.db2.gz BBYUIRGSXQCNAO-AWEZNQCLSA-N 1 1 340.468 0.413 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001266471962 835876178 /nfs/dbraw/zinc/87/61/78/835876178.db2.gz ZPKDGVDBQWPQQW-HUUCEWRRSA-N 1 1 330.432 0.964 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001266471962 835876182 /nfs/dbraw/zinc/87/61/82/835876182.db2.gz ZPKDGVDBQWPQQW-HUUCEWRRSA-N 1 1 330.432 0.964 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccn1 ZINC001266488564 835887969 /nfs/dbraw/zinc/88/79/69/835887969.db2.gz LGZSUVPUDMJZHA-HUUCEWRRSA-N 1 1 346.431 0.732 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccn1 ZINC001266488564 835887978 /nfs/dbraw/zinc/88/79/78/835887978.db2.gz LGZSUVPUDMJZHA-HUUCEWRRSA-N 1 1 346.431 0.732 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](OC)C1CCCC1 ZINC001266491977 835891177 /nfs/dbraw/zinc/89/11/77/835891177.db2.gz FESFNKSXYNUHLT-NVXWUHKLSA-N 1 1 335.448 0.522 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](OC)C1CCCC1 ZINC001266491977 835891184 /nfs/dbraw/zinc/89/11/84/835891184.db2.gz FESFNKSXYNUHLT-NVXWUHKLSA-N 1 1 335.448 0.522 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]cnc1CC ZINC001266492688 835893414 /nfs/dbraw/zinc/89/34/14/835893414.db2.gz UVMFUDTUXUDVNH-QWHCGFSZSA-N 1 1 333.436 0.857 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]cnc1CC ZINC001266492688 835893421 /nfs/dbraw/zinc/89/34/21/835893421.db2.gz UVMFUDTUXUDVNH-QWHCGFSZSA-N 1 1 333.436 0.857 20 30 ECEDMO CCCC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCC[N@H+]1CC#CCOC ZINC001266497547 835897485 /nfs/dbraw/zinc/89/74/85/835897485.db2.gz HWLLFHDTIBBLEC-GJZGRUSLSA-N 1 1 338.452 0.444 20 30 ECEDMO C=CCCOCC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NC ZINC001266497202 835897662 /nfs/dbraw/zinc/89/76/62/835897662.db2.gz BYOXJKLLEOROEW-QWHCGFSZSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCCOCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NC ZINC001266497202 835897667 /nfs/dbraw/zinc/89/76/67/835897667.db2.gz BYOXJKLLEOROEW-QWHCGFSZSA-N 1 1 340.424 0.004 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC001266520695 835934321 /nfs/dbraw/zinc/93/43/21/835934321.db2.gz RGETWTVAXFSBLX-KBPBESRZSA-N 1 1 331.420 0.527 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC001266520956 835935306 /nfs/dbraw/zinc/93/53/06/835935306.db2.gz WXAZDUBTAWGNEW-ZIAGYGMSSA-N 1 1 344.415 0.280 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001266521103 835935911 /nfs/dbraw/zinc/93/59/11/835935911.db2.gz ZUNHYGILSHWNHW-HUUCEWRRSA-N 1 1 345.447 0.186 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001266523607 835938780 /nfs/dbraw/zinc/93/87/80/835938780.db2.gz RBHLLULNIRQWGB-FPCVCCKLSA-N 1 1 332.448 0.891 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001266523607 835938782 /nfs/dbraw/zinc/93/87/82/835938782.db2.gz RBHLLULNIRQWGB-FPCVCCKLSA-N 1 1 332.448 0.891 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2conc2C)C1 ZINC001266528099 835942800 /nfs/dbraw/zinc/94/28/00/835942800.db2.gz JJYRFMWEECBXMU-LBPRGKRZSA-N 1 1 349.391 0.047 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2conc2C)C1 ZINC001266528099 835942807 /nfs/dbraw/zinc/94/28/07/835942807.db2.gz JJYRFMWEECBXMU-LBPRGKRZSA-N 1 1 349.391 0.047 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001266533833 835952348 /nfs/dbraw/zinc/95/23/48/835952348.db2.gz REWATEXNWFGULA-CYBMUJFWSA-N 1 1 339.399 0.859 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001266533833 835952352 /nfs/dbraw/zinc/95/23/52/835952352.db2.gz REWATEXNWFGULA-CYBMUJFWSA-N 1 1 339.399 0.859 20 30 ECEDMO C#Cc1ccccc1CC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001266545236 835966341 /nfs/dbraw/zinc/96/63/41/835966341.db2.gz NXOVXRXLOZXYOM-MAUKXSAKSA-N 1 1 339.439 0.879 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(C)c2C2CC2)C1 ZINC001266551633 835977562 /nfs/dbraw/zinc/97/75/62/835977562.db2.gz WKKAZNPRADJNML-AWEZNQCLSA-N 1 1 330.432 0.999 20 30 ECEDMO C=CCN1CC[C@@H](N(CCC)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001266556497 835984172 /nfs/dbraw/zinc/98/41/72/835984172.db2.gz PGKIBGUOWRIEBD-HZPDHXFCSA-N 1 1 336.480 0.696 20 30 ECEDMO C=CCN1CC[C@@H](N(CCC)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001266556497 835984179 /nfs/dbraw/zinc/98/41/79/835984179.db2.gz PGKIBGUOWRIEBD-HZPDHXFCSA-N 1 1 336.480 0.696 20 30 ECEDMO CC(C)[C@H](C(=O)NCCN1CCC(NCC#N)CC1)[NH+]1CCCC1 ZINC001279453056 836033505 /nfs/dbraw/zinc/03/35/05/836033505.db2.gz CIJCLPKLEXDYSM-QGZVFWFLSA-N 1 1 335.496 0.801 20 30 ECEDMO C=CCNC(=O)C[N@H+](CCNC(=O)c1cnn2ccccc12)C1CC1 ZINC001266615123 836050200 /nfs/dbraw/zinc/05/02/00/836050200.db2.gz ABPRNVFDQFUXNN-UHFFFAOYSA-N 1 1 341.415 0.831 20 30 ECEDMO C=CCNC(=O)C[N@@H+](CCNC(=O)c1cnn2ccccc12)C1CC1 ZINC001266615123 836050212 /nfs/dbraw/zinc/05/02/12/836050212.db2.gz ABPRNVFDQFUXNN-UHFFFAOYSA-N 1 1 341.415 0.831 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CCCC2)C1 ZINC001266638355 836074394 /nfs/dbraw/zinc/07/43/94/836074394.db2.gz QTGZXOHOWRDQGJ-WKILWMFISA-N 1 1 336.480 0.744 20 30 ECEDMO Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)NCC#N)CC[C@@H]32)on1 ZINC001266656539 836092705 /nfs/dbraw/zinc/09/27/05/836092705.db2.gz XRSJVUWYMGLICP-KBPBESRZSA-N 1 1 345.403 0.549 20 30 ECEDMO Cc1cc(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NCC#N)CC[C@@H]32)on1 ZINC001266656539 836092711 /nfs/dbraw/zinc/09/27/11/836092711.db2.gz XRSJVUWYMGLICP-KBPBESRZSA-N 1 1 345.403 0.549 20 30 ECEDMO Cc1cc(C(=O)N2CCC[C@@H]3C[N@H+](CC(=O)NCC#N)CC[C@@H]32)on1 ZINC001266656540 836093120 /nfs/dbraw/zinc/09/31/20/836093120.db2.gz XRSJVUWYMGLICP-KGLIPLIRSA-N 1 1 345.403 0.549 20 30 ECEDMO Cc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(=O)NCC#N)CC[C@@H]32)on1 ZINC001266656540 836093129 /nfs/dbraw/zinc/09/31/29/836093129.db2.gz XRSJVUWYMGLICP-KGLIPLIRSA-N 1 1 345.403 0.549 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC(F)F)C1 ZINC001266659391 836096279 /nfs/dbraw/zinc/09/62/79/836096279.db2.gz OLXQYKYAXUBUAQ-CHWSQXEVSA-N 1 1 327.375 0.704 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn(C)n2)C1 ZINC001266662151 836099601 /nfs/dbraw/zinc/09/96/01/836099601.db2.gz CIGGWCSJUSUTPZ-HOCLYGCPSA-N 1 1 345.447 0.649 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N(C)CC[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001266686546 836141392 /nfs/dbraw/zinc/14/13/92/836141392.db2.gz GOJMONDZMARLCN-MRXNPFEDSA-N 1 1 346.391 0.402 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccncc2F)C1 ZINC001266743376 836225832 /nfs/dbraw/zinc/22/58/32/836225832.db2.gz NLJZQYDLYNYFFS-KGLIPLIRSA-N 1 1 346.406 0.800 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001266751114 836242917 /nfs/dbraw/zinc/24/29/17/836242917.db2.gz BRUKYVBVEZLYNE-AWEZNQCLSA-N 1 1 331.482 0.672 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001266753053 836246411 /nfs/dbraw/zinc/24/64/11/836246411.db2.gz ZUIWMUSODYEOPX-GJZGRUSLSA-N 1 1 345.447 0.308 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001266753053 836246421 /nfs/dbraw/zinc/24/64/21/836246421.db2.gz ZUIWMUSODYEOPX-GJZGRUSLSA-N 1 1 345.447 0.308 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001266753053 836246431 /nfs/dbraw/zinc/24/64/31/836246431.db2.gz ZUIWMUSODYEOPX-GJZGRUSLSA-N 1 1 345.447 0.308 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001266755292 836249054 /nfs/dbraw/zinc/24/90/54/836249054.db2.gz OTDRBDRXYGNXQK-KBPBESRZSA-N 1 1 333.436 0.851 20 30 ECEDMO CCc1c(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)ccn1C ZINC001266760682 836260559 /nfs/dbraw/zinc/26/05/59/836260559.db2.gz KPVRQRKRVLBKHF-CQSZACIVSA-N 1 1 345.447 0.669 20 30 ECEDMO CCc1c(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)ccn1C ZINC001266760682 836260563 /nfs/dbraw/zinc/26/05/63/836260563.db2.gz KPVRQRKRVLBKHF-CQSZACIVSA-N 1 1 345.447 0.669 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2cnoc2CC)C1 ZINC001266764344 836267766 /nfs/dbraw/zinc/26/77/66/836267766.db2.gz PHONCGSJEUJTOI-UONOGXRCSA-N 1 1 346.431 0.817 20 30 ECEDMO C=CCOCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001266764385 836269265 /nfs/dbraw/zinc/26/92/65/836269265.db2.gz QDEJDUCDBLOTMZ-OAHLLOKOSA-N 1 1 325.453 0.932 20 30 ECEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001266769928 836279374 /nfs/dbraw/zinc/27/93/74/836279374.db2.gz KVXSNAAFBWPYBI-ZDUSSCGKSA-N 1 1 334.424 0.171 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCCC ZINC001266839539 836361271 /nfs/dbraw/zinc/36/12/71/836361271.db2.gz CYNCAVUPAUTQHF-WMLDXEAASA-N 1 1 325.453 0.810 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCCC ZINC001266839539 836361279 /nfs/dbraw/zinc/36/12/79/836361279.db2.gz CYNCAVUPAUTQHF-WMLDXEAASA-N 1 1 325.453 0.810 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC(=O)NC(C)C ZINC001266843999 836370721 /nfs/dbraw/zinc/37/07/21/836370721.db2.gz FFGSOBIUIDMHOO-SJORKVTESA-N 1 1 348.491 0.579 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC(=O)NC(C)C ZINC001266843999 836370729 /nfs/dbraw/zinc/37/07/29/836370729.db2.gz FFGSOBIUIDMHOO-SJORKVTESA-N 1 1 348.491 0.579 20 30 ECEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001266856339 836391528 /nfs/dbraw/zinc/39/15/28/836391528.db2.gz OOBXPGHGYKBSPO-ZDUSSCGKSA-N 1 1 331.482 0.861 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)c1cnc(C)[nH]1 ZINC001266863673 836406710 /nfs/dbraw/zinc/40/67/10/836406710.db2.gz LOBMWUIPTPJMDD-OCCSQVGLSA-N 1 1 333.436 0.993 20 30 ECEDMO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001266886845 836435992 /nfs/dbraw/zinc/43/59/92/836435992.db2.gz QAMLLQZJQBGWAG-KGLIPLIRSA-N 1 1 336.436 0.993 20 30 ECEDMO C[C@H](NC(=O)COCC(F)F)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266892711 836441659 /nfs/dbraw/zinc/44/16/59/836441659.db2.gz XAVFPJKGORSACP-RYUDHWBXSA-N 1 1 346.378 0.125 20 30 ECEDMO C[C@H](NC(=O)COCC(F)F)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266892711 836441662 /nfs/dbraw/zinc/44/16/62/836441662.db2.gz XAVFPJKGORSACP-RYUDHWBXSA-N 1 1 346.378 0.125 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2nnc[nH]2)C1 ZINC001266893421 836443814 /nfs/dbraw/zinc/44/38/14/836443814.db2.gz QSADFVJFYJNZMN-HUUCEWRRSA-N 1 1 333.436 0.604 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2nc[nH]n2)C1 ZINC001266893421 836443818 /nfs/dbraw/zinc/44/38/18/836443818.db2.gz QSADFVJFYJNZMN-HUUCEWRRSA-N 1 1 333.436 0.604 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2nc[nH]n2)C1 ZINC001266893421 836443826 /nfs/dbraw/zinc/44/38/26/836443826.db2.gz QSADFVJFYJNZMN-HUUCEWRRSA-N 1 1 333.436 0.604 20 30 ECEDMO C[C@H](NC(=O)c1ccc(F)nc1)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266894386 836445110 /nfs/dbraw/zinc/44/51/10/836445110.db2.gz VCERJSDJGAGECT-JSGCOSHPSA-N 1 1 347.394 0.691 20 30 ECEDMO C[C@H](NC(=O)c1ccc(F)nc1)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266894386 836445116 /nfs/dbraw/zinc/44/51/16/836445116.db2.gz VCERJSDJGAGECT-JSGCOSHPSA-N 1 1 347.394 0.691 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@@H]1C ZINC001266904836 836462198 /nfs/dbraw/zinc/46/21/98/836462198.db2.gz PMGMQXQHYPGWKL-OCABDXPQSA-N 1 1 347.459 0.658 20 30 ECEDMO C=CCCC(=O)N1CCC[C@H]([N@H+](C)CCN(C)S(C)(=O)=O)C1 ZINC001267101564 836772322 /nfs/dbraw/zinc/77/23/22/836772322.db2.gz UPUBEDCRLBMWAD-AWEZNQCLSA-N 1 1 331.482 0.767 20 30 ECEDMO C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3nnnn3c2)C1 ZINC001267108547 836791065 /nfs/dbraw/zinc/79/10/65/836791065.db2.gz QMRUNQUIUNODFR-HNNXBMFYSA-N 1 1 344.419 0.863 20 30 ECEDMO C=CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267109414 836793988 /nfs/dbraw/zinc/79/39/88/836793988.db2.gz YJOONLZVCZBQLB-HUUCEWRRSA-N 1 1 344.477 0.547 20 30 ECEDMO C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267109414 836793999 /nfs/dbraw/zinc/79/39/99/836793999.db2.gz YJOONLZVCZBQLB-HUUCEWRRSA-N 1 1 344.477 0.547 20 30 ECEDMO COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccoc2CC(N)=O)C1 ZINC001267112141 836799189 /nfs/dbraw/zinc/79/91/89/836799189.db2.gz WSOKJNTZWSFXIZ-CQSZACIVSA-N 1 1 347.415 0.494 20 30 ECEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2nc3nccc(C)n3n2)C1 ZINC001267115709 836809892 /nfs/dbraw/zinc/80/98/92/836809892.db2.gz YOJCOBJALKCHCV-CQSZACIVSA-N 1 1 326.404 0.992 20 30 ECEDMO C[C@H](CCNC(=O)c1[nH]nc2c1CCCC2)[NH2+]CC(=O)NCC#N ZINC001267134993 836835787 /nfs/dbraw/zinc/83/57/87/836835787.db2.gz YUOAVTYQIABVLY-LLVKDONJSA-N 1 1 332.408 0.026 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1=COCCO1 ZINC001267162325 836877819 /nfs/dbraw/zinc/87/78/19/836877819.db2.gz UYLKERCLKHEAQU-AWEZNQCLSA-N 1 1 337.420 0.538 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(=O)[nH]1 ZINC001267162552 836877942 /nfs/dbraw/zinc/87/79/42/836877942.db2.gz GRNFRUUWLYECAM-ZDUSSCGKSA-N 1 1 345.403 0.401 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CCOC1 ZINC001267162380 836880286 /nfs/dbraw/zinc/88/02/86/836880286.db2.gz DRUMSMLDXOUNRL-HUUCEWRRSA-N 1 1 336.436 0.414 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCCO1 ZINC001267164586 836885880 /nfs/dbraw/zinc/88/58/80/836885880.db2.gz GFRUSWUWJILKSJ-JKSUJKDBSA-N 1 1 335.448 0.666 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCCO1 ZINC001267166548 836889830 /nfs/dbraw/zinc/88/98/30/836889830.db2.gz ZCPOUCKFNJFVHD-HUUCEWRRSA-N 1 1 336.436 0.556 20 30 ECEDMO Cc1conc1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267177646 836919706 /nfs/dbraw/zinc/91/97/06/836919706.db2.gz VYKFQJYCSIZTLH-CYBMUJFWSA-N 1 1 333.392 0.597 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001267179940 836926379 /nfs/dbraw/zinc/92/63/79/836926379.db2.gz UPTASZQCAJBKJD-HNNXBMFYSA-N 1 1 333.436 0.274 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001267202692 836980355 /nfs/dbraw/zinc/98/03/55/836980355.db2.gz HFKPGBILKYVOKY-KBPBESRZSA-N 1 1 347.463 0.818 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001267202692 836980360 /nfs/dbraw/zinc/98/03/60/836980360.db2.gz HFKPGBILKYVOKY-KBPBESRZSA-N 1 1 347.463 0.818 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC001267212932 837000402 /nfs/dbraw/zinc/00/04/02/837000402.db2.gz VTWLTEJNMGYGMR-UHFFFAOYSA-N 1 1 326.441 0.871 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC001267212932 837000413 /nfs/dbraw/zinc/00/04/13/837000413.db2.gz VTWLTEJNMGYGMR-UHFFFAOYSA-N 1 1 326.441 0.871 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)Cc2cnn(C)c2)C1=O ZINC001267238207 837046728 /nfs/dbraw/zinc/04/67/28/837046728.db2.gz JPKIQGIIBUDCBG-OAHLLOKOSA-N 1 1 333.436 0.188 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1ncnc2sccc21 ZINC001267242046 837050996 /nfs/dbraw/zinc/05/09/96/837050996.db2.gz UXBACIAYSVUKET-UHFFFAOYSA-N 1 1 345.428 0.492 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ncnc2sccc21 ZINC001267242046 837051005 /nfs/dbraw/zinc/05/10/05/837051005.db2.gz UXBACIAYSVUKET-UHFFFAOYSA-N 1 1 345.428 0.492 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1noc2c1CCCC2 ZINC001267251253 837070229 /nfs/dbraw/zinc/07/02/29/837070229.db2.gz ZYXWVPFHOUBWJT-UHFFFAOYSA-N 1 1 332.404 0.355 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1noc2c1CCCC2 ZINC001267251253 837070239 /nfs/dbraw/zinc/07/02/39/837070239.db2.gz ZYXWVPFHOUBWJT-UHFFFAOYSA-N 1 1 332.404 0.355 20 30 ECEDMO CC[N@H+](CCNC(=O)c1ccc2c(c1)CCN2C)CC(=O)NCC#N ZINC001267254514 837075549 /nfs/dbraw/zinc/07/55/49/837075549.db2.gz SOZLEVOGEHBYFC-UHFFFAOYSA-N 1 1 343.431 0.370 20 30 ECEDMO CC[N@@H+](CCNC(=O)c1ccc2c(c1)CCN2C)CC(=O)NCC#N ZINC001267254514 837075559 /nfs/dbraw/zinc/07/55/59/837075559.db2.gz SOZLEVOGEHBYFC-UHFFFAOYSA-N 1 1 343.431 0.370 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001267255336 837076020 /nfs/dbraw/zinc/07/60/20/837076020.db2.gz XPIZFJLPVCOSPK-KGLIPLIRSA-N 1 1 338.452 0.126 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001267255336 837076026 /nfs/dbraw/zinc/07/60/26/837076026.db2.gz XPIZFJLPVCOSPK-KGLIPLIRSA-N 1 1 338.452 0.126 20 30 ECEDMO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CSCC#N ZINC001267260210 837090230 /nfs/dbraw/zinc/09/02/30/837090230.db2.gz GFPCIMDSTCCBND-CHWSQXEVSA-N 1 1 326.466 0.738 20 30 ECEDMO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CSCC#N ZINC001267260210 837090233 /nfs/dbraw/zinc/09/02/33/837090233.db2.gz GFPCIMDSTCCBND-CHWSQXEVSA-N 1 1 326.466 0.738 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001267262959 837094609 /nfs/dbraw/zinc/09/46/09/837094609.db2.gz GWBCCPQYNUBDLT-IUODEOHRSA-N 1 1 332.379 0.553 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001267262959 837094620 /nfs/dbraw/zinc/09/46/20/837094620.db2.gz GWBCCPQYNUBDLT-IUODEOHRSA-N 1 1 332.379 0.553 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001267266838 837103318 /nfs/dbraw/zinc/10/33/18/837103318.db2.gz JARNFBFDCQVAGT-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001267266838 837103322 /nfs/dbraw/zinc/10/33/22/837103322.db2.gz JARNFBFDCQVAGT-IRXDYDNUSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)Cc2ccn(C)n2)C1=O ZINC001267266943 837104121 /nfs/dbraw/zinc/10/41/21/837104121.db2.gz JSOCGYLSJXCXIN-HOTGVXAUSA-N 1 1 345.447 0.330 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)COCC1CCCC1 ZINC001267269117 837107005 /nfs/dbraw/zinc/10/70/05/837107005.db2.gz KQGGQAOKBCGXBV-NVXWUHKLSA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)COCC1CCCC1 ZINC001267269117 837107009 /nfs/dbraw/zinc/10/70/09/837107009.db2.gz KQGGQAOKBCGXBV-NVXWUHKLSA-N 1 1 349.475 0.912 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CN(C)C)on1 ZINC001267270010 837109251 /nfs/dbraw/zinc/10/92/51/837109251.db2.gz GACGMVFCPQHJAL-AWEZNQCLSA-N 1 1 334.420 0.580 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(CN(C)C)on1 ZINC001267270010 837109256 /nfs/dbraw/zinc/10/92/56/837109256.db2.gz GACGMVFCPQHJAL-AWEZNQCLSA-N 1 1 334.420 0.580 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2cccnn21 ZINC001267278059 837123533 /nfs/dbraw/zinc/12/35/33/837123533.db2.gz FDOZBBAQRNCFGT-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2cccnn21 ZINC001267278059 837123539 /nfs/dbraw/zinc/12/35/39/837123539.db2.gz FDOZBBAQRNCFGT-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001267285333 837135496 /nfs/dbraw/zinc/13/54/96/837135496.db2.gz GICBLCZCHVXDNB-GJZGRUSLSA-N 1 1 348.447 0.793 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2c(C)noc2C)C1 ZINC001267285140 837135677 /nfs/dbraw/zinc/13/56/77/837135677.db2.gz CMVDPTWVLKNEIH-GXTWGEPZSA-N 1 1 332.404 0.481 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC001267290010 837140050 /nfs/dbraw/zinc/14/00/50/837140050.db2.gz KAKJPNHXDPXHDJ-OAHLLOKOSA-N 1 1 347.463 0.896 20 30 ECEDMO N#CCSCC(=O)NC[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267290506 837141313 /nfs/dbraw/zinc/14/13/13/837141313.db2.gz ZNISXVGFCKQALL-STQMWFEESA-N 1 1 345.490 0.116 20 30 ECEDMO C#CCOCCC(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC001267293018 837146977 /nfs/dbraw/zinc/14/69/77/837146977.db2.gz KHDJOIOCMVBSPE-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2occ3c2CCC3)C1 ZINC001267298391 837160148 /nfs/dbraw/zinc/16/01/48/837160148.db2.gz MJLFLIVTSJFOEH-KGLIPLIRSA-N 1 1 343.427 0.958 20 30 ECEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](CNC(=O)C3(C(N)=O)CC3)C2)c1 ZINC001267302172 837166020 /nfs/dbraw/zinc/16/60/20/837166020.db2.gz MRLXYMYXJOASRF-ZDUSSCGKSA-N 1 1 344.390 0.901 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001267302566 837167580 /nfs/dbraw/zinc/16/75/80/837167580.db2.gz GFMFKVTXIYHTFV-CQSZACIVSA-N 1 1 346.431 0.743 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001267305397 837174916 /nfs/dbraw/zinc/17/49/16/837174916.db2.gz LCNSIWHBQQVDFD-OLZOCXBDSA-N 1 1 333.436 0.715 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001267307071 837177255 /nfs/dbraw/zinc/17/72/55/837177255.db2.gz LANGNZJNEYAREL-ZDUSSCGKSA-N 1 1 328.416 0.305 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)c2ccccc2)C1 ZINC001267307393 837179095 /nfs/dbraw/zinc/17/90/95/837179095.db2.gz RNLRNIAJMRNHPS-HZPDHXFCSA-N 1 1 327.428 0.978 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)c1cnc(N(C)C)cn1 ZINC001267314044 837189375 /nfs/dbraw/zinc/18/93/75/837189375.db2.gz GTYWDGNDTUVKCG-UHFFFAOYSA-N 1 1 333.436 0.634 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](CCCNC(=O)c2cnn(C)n2)C(C)C)C1=O ZINC001267328671 837208435 /nfs/dbraw/zinc/20/84/35/837208435.db2.gz DYRYTCSAOXKJPQ-OAHLLOKOSA-N 1 1 348.451 0.432 20 30 ECEDMO C=C(Cl)C[N@H+](CCCNC(=O)CN1CC(=O)N(C)C1=O)C(C)C ZINC001267334280 837216395 /nfs/dbraw/zinc/21/63/95/837216395.db2.gz FCSJPLFZJZMLGU-UHFFFAOYSA-N 1 1 344.843 0.850 20 30 ECEDMO C=CCNC(=O)C[NH2+][C@@H](CNC(=O)c1cnccn1)c1ccccc1 ZINC001267346295 837232171 /nfs/dbraw/zinc/23/21/71/837232171.db2.gz NOTUQJJCYFXJLX-HNNXBMFYSA-N 1 1 339.399 0.840 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(OC)o2)C1 ZINC001267582741 837848578 /nfs/dbraw/zinc/84/85/78/837848578.db2.gz GVTSQLSDKXZAFK-CYBMUJFWSA-N 1 1 333.388 0.479 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2cscn2)C1 ZINC001267583808 837853508 /nfs/dbraw/zinc/85/35/08/837853508.db2.gz SGUMZCKWJOFLRR-KGLIPLIRSA-N 1 1 348.472 0.652 20 30 ECEDMO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001267586243 837862477 /nfs/dbraw/zinc/86/24/77/837862477.db2.gz NCBFEGCUAJMTBG-CYBMUJFWSA-N 1 1 326.400 0.993 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NC)C2)c1 ZINC001267590971 837879614 /nfs/dbraw/zinc/87/96/14/837879614.db2.gz YMTBHKUDUQJTME-UKRRQHHQSA-N 1 1 328.416 0.591 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001267592261 837883380 /nfs/dbraw/zinc/88/33/80/837883380.db2.gz QKVNNNRXSOVUTN-UONOGXRCSA-N 1 1 331.420 0.561 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H]2CC[N@@H+](Cc3nncn3C)C2)cn1 ZINC001267594784 837895940 /nfs/dbraw/zinc/89/59/40/837895940.db2.gz MBAYIONHPAVRKY-AWEZNQCLSA-N 1 1 338.415 0.833 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[C@H]2CC[N@H+](Cc3nncn3C)C2)cn1 ZINC001267594784 837895948 /nfs/dbraw/zinc/89/59/48/837895948.db2.gz MBAYIONHPAVRKY-AWEZNQCLSA-N 1 1 338.415 0.833 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](CCNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001267594288 837896157 /nfs/dbraw/zinc/89/61/57/837896157.db2.gz CQIFHYRKVMIYJO-CYBMUJFWSA-N 1 1 329.400 0.935 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)CCCOC)CC1 ZINC001267597514 837904506 /nfs/dbraw/zinc/90/45/06/837904506.db2.gz CMARKIOENVWUDU-HNNXBMFYSA-N 1 1 337.464 0.721 20 30 ECEDMO C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)CSCC#N)CC1 ZINC001267597931 837905411 /nfs/dbraw/zinc/90/54/11/837905411.db2.gz NBCVBHYJBNIWSW-UHFFFAOYSA-N 1 1 338.477 0.716 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]2OC)CC1 ZINC001267601154 837919934 /nfs/dbraw/zinc/91/99/34/837919934.db2.gz KZGIGRFFMJMSOQ-IRXDYDNUSA-N 1 1 349.475 0.721 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]2OC)CC1 ZINC001267601147 837919984 /nfs/dbraw/zinc/91/99/84/837919984.db2.gz KZGIGRFFMJMSOQ-DLBZAZTESA-N 1 1 349.475 0.721 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001267604949 837938461 /nfs/dbraw/zinc/93/84/61/837938461.db2.gz ISCNJMCPAFRPPI-CABCVRRESA-N 1 1 348.447 0.271 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)c2cc3n(n2)CCCC3)CC1 ZINC001267607485 837950711 /nfs/dbraw/zinc/95/07/11/837950711.db2.gz KFLSNKSEDJRWHL-UHFFFAOYSA-N 1 1 329.448 0.542 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001267622179 838064442 /nfs/dbraw/zinc/06/44/42/838064442.db2.gz PFHHBXNCKPKCFL-JKSUJKDBSA-N 1 1 344.459 0.974 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001267622179 838064451 /nfs/dbraw/zinc/06/44/51/838064451.db2.gz PFHHBXNCKPKCFL-JKSUJKDBSA-N 1 1 344.459 0.974 20 30 ECEDMO C[N@@H+](CCN1CCNC1=O)C[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001267626758 838076722 /nfs/dbraw/zinc/07/67/22/838076722.db2.gz ZUBZISQLILUZHL-CYBMUJFWSA-N 1 1 339.465 0.049 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2nnc(CC)o2)C1 ZINC001267646170 838132142 /nfs/dbraw/zinc/13/21/42/838132142.db2.gz MSPDGGUSJGQYCQ-CQSZACIVSA-N 1 1 334.420 0.952 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](C[N@H+](C)Cc2nnc(CC)o2)C1 ZINC001267646170 838132147 /nfs/dbraw/zinc/13/21/47/838132147.db2.gz MSPDGGUSJGQYCQ-CQSZACIVSA-N 1 1 334.420 0.952 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2cncc(OC)n2)C1 ZINC001267646536 838133250 /nfs/dbraw/zinc/13/32/50/838133250.db2.gz QASJEGLCNKQTQV-LSDHHAIUSA-N 1 1 346.431 0.804 20 30 ECEDMO C=C(C)CCC(=O)N1CC[C@H](C[N@H+](C)CC(=O)N2CCOCC2)C1 ZINC001267653343 838156948 /nfs/dbraw/zinc/15/69/48/838156948.db2.gz PWSIBLIURCQPDE-MRXNPFEDSA-N 1 1 337.464 0.982 20 30 ECEDMO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)CCc2cncs2)C1 ZINC001267682632 838242778 /nfs/dbraw/zinc/24/27/78/838242778.db2.gz GXHMOQMSSVAIEC-ZDUSSCGKSA-N 1 1 349.460 0.496 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC001267684000 838246821 /nfs/dbraw/zinc/24/68/21/838246821.db2.gz MZFAGIIMFDKFJR-HNNXBMFYSA-N 1 1 330.432 0.477 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001267685190 838248571 /nfs/dbraw/zinc/24/85/71/838248571.db2.gz AERGQNZBMRTAPI-LBPRGKRZSA-N 1 1 341.415 0.915 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC001267695092 838286252 /nfs/dbraw/zinc/28/62/52/838286252.db2.gz LIBYODVWXBWXHF-UHFFFAOYSA-N 1 1 343.427 0.977 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H](C)C(=O)NCC=C)C2)nc1 ZINC001267697010 838289209 /nfs/dbraw/zinc/28/92/09/838289209.db2.gz CJOQVENWHHBQCH-CYBMUJFWSA-N 1 1 326.400 0.415 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)C[C@H](O)COC)C2)cn1 ZINC001267703918 838306929 /nfs/dbraw/zinc/30/69/29/838306929.db2.gz YWEQZXDXCHYLDR-YOEHRIQHSA-N 1 1 331.416 0.464 20 30 ECEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001267708146 838315388 /nfs/dbraw/zinc/31/53/88/838315388.db2.gz JXMYJPOMDHGWRJ-KGLIPLIRSA-N 1 1 329.466 0.425 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001267719406 838372238 /nfs/dbraw/zinc/37/22/38/838372238.db2.gz AKNIYRUKBYTRLE-AWEZNQCLSA-N 1 1 331.420 0.723 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001267719406 838372245 /nfs/dbraw/zinc/37/22/45/838372245.db2.gz AKNIYRUKBYTRLE-AWEZNQCLSA-N 1 1 331.420 0.723 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)c2ccnn2CC)CC1 ZINC001267724667 838388305 /nfs/dbraw/zinc/38/83/05/838388305.db2.gz IGRZJSSZAKQHRE-UHFFFAOYSA-N 1 1 345.447 0.436 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001267725177 838393142 /nfs/dbraw/zinc/39/31/42/838393142.db2.gz VDOPTPLSAVJLJK-CQSZACIVSA-N 1 1 347.463 0.813 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CC1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001267725177 838393150 /nfs/dbraw/zinc/39/31/50/838393150.db2.gz VDOPTPLSAVJLJK-CQSZACIVSA-N 1 1 347.463 0.813 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001267725177 838393153 /nfs/dbraw/zinc/39/31/53/838393153.db2.gz VDOPTPLSAVJLJK-CQSZACIVSA-N 1 1 347.463 0.813 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001267732792 838421161 /nfs/dbraw/zinc/42/11/61/838421161.db2.gz OHNPXWLHGWQNPL-RYUDHWBXSA-N 1 1 327.375 0.750 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001267732792 838421164 /nfs/dbraw/zinc/42/11/64/838421164.db2.gz OHNPXWLHGWQNPL-RYUDHWBXSA-N 1 1 327.375 0.750 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)COCc2ccncc2)C1 ZINC001267750495 838470337 /nfs/dbraw/zinc/47/03/37/838470337.db2.gz ARWMQYRLKWBBEB-GOEBONIOSA-N 1 1 346.431 0.479 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)COCc2ccncc2)C1 ZINC001267750495 838470340 /nfs/dbraw/zinc/47/03/40/838470340.db2.gz ARWMQYRLKWBBEB-GOEBONIOSA-N 1 1 346.431 0.479 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 ZINC001267764116 838496519 /nfs/dbraw/zinc/49/65/19/838496519.db2.gz QTFMYFOLCSGWFR-GOSISDBHSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001267769276 838513004 /nfs/dbraw/zinc/51/30/04/838513004.db2.gz VTFGCNQARYNSJB-JKSUJKDBSA-N 1 1 342.443 0.983 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001267769276 838513012 /nfs/dbraw/zinc/51/30/12/838513012.db2.gz VTFGCNQARYNSJB-JKSUJKDBSA-N 1 1 342.443 0.983 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC001267785176 838562361 /nfs/dbraw/zinc/56/23/61/838562361.db2.gz TZBOTFQNDOQEEN-YOEHRIQHSA-N 1 1 325.453 0.763 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N(CC)[C@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001267785176 838562363 /nfs/dbraw/zinc/56/23/63/838562363.db2.gz TZBOTFQNDOQEEN-YOEHRIQHSA-N 1 1 325.453 0.763 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H](C)CO1)CC2 ZINC001267973584 838904704 /nfs/dbraw/zinc/90/47/04/838904704.db2.gz UUVNYHDYCURYAM-CVEARBPZSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC2(CC[N@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001267973687 838905819 /nfs/dbraw/zinc/90/58/19/838905819.db2.gz XMFQOYIYFFWKLA-JKSUJKDBSA-N 1 1 347.459 0.570 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CN(CC#CCOC)CCO1 ZINC001268028216 839039993 /nfs/dbraw/zinc/03/99/93/839039993.db2.gz AQMIJRRMJVHPPE-IRXDYDNUSA-N 1 1 337.464 0.328 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)Cc2ccccc2)C1 ZINC001268028738 839043370 /nfs/dbraw/zinc/04/33/70/839043370.db2.gz MKVJFTDNUDPNAF-QGZVFWFLSA-N 1 1 345.443 0.738 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H](CNC(=O)CNC(=O)Cc2ccccc2)C1 ZINC001268028738 839043382 /nfs/dbraw/zinc/04/33/82/839043382.db2.gz MKVJFTDNUDPNAF-QGZVFWFLSA-N 1 1 345.443 0.738 20 30 ECEDMO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)OCCC=C)CC2 ZINC001268043327 839192015 /nfs/dbraw/zinc/19/20/15/839192015.db2.gz HOTNUWFDSCDVFQ-INIZCTEOSA-N 1 1 347.459 0.641 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC2(C[NH+](CC(=O)NCCCC)C2)CC1 ZINC001268043832 839198748 /nfs/dbraw/zinc/19/87/48/839198748.db2.gz RCBFMZCMUBUDJU-INIZCTEOSA-N 1 1 349.475 0.865 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411971991 282396077 /nfs/dbraw/zinc/39/60/77/282396077.db2.gz LHWNPJNJHLSSFQ-CVEARBPZSA-N 1 1 328.416 0.949 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)c1 ZINC001041661772 781943916 /nfs/dbraw/zinc/94/39/16/781943916.db2.gz YJVOJUVURJRMJL-FZKQIMNGSA-N 1 1 326.400 0.475 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000193299559 240097483 /nfs/dbraw/zinc/09/74/83/240097483.db2.gz WJMSMKMLPNDCFB-UHFFFAOYSA-N 1 1 349.435 0.484 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000444381741 296184611 /nfs/dbraw/zinc/18/46/11/296184611.db2.gz CMFLACCTJPWDEA-CXAGYDPISA-N 1 1 339.436 0.773 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1C#N ZINC000266518677 248342229 /nfs/dbraw/zinc/34/22/29/248342229.db2.gz ACHZILIIKWRDDW-CYBMUJFWSA-N 1 1 329.404 0.167 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000374413744 285051155 /nfs/dbraw/zinc/05/11/55/285051155.db2.gz DXDQIKIEZMESFW-MGPQQGTHSA-N 1 1 330.454 0.166 20 30 ECEDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(C#N)s2)CC1 ZINC000487489122 254837837 /nfs/dbraw/zinc/83/78/37/254837837.db2.gz KBAOYYXZHUSZCX-ZDUSSCGKSA-N 1 1 332.429 0.998 20 30 ECEDMO N#Cc1ccncc1N1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000496007307 255062804 /nfs/dbraw/zinc/06/28/04/255062804.db2.gz PVVGGZCYZOHSFO-UHFFFAOYSA-N 1 1 332.364 0.270 20 30 ECEDMO CCS(=O)(=O)CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930232 296609675 /nfs/dbraw/zinc/60/96/75/296609675.db2.gz AFGVUPNXPCDAKQ-UHFFFAOYSA-N 1 1 337.445 0.883 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001041695619 782012892 /nfs/dbraw/zinc/01/28/92/782012892.db2.gz CTTDQSBXXLINRL-RVKKMQEKSA-N 1 1 335.448 0.590 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC001041697743 782015986 /nfs/dbraw/zinc/01/59/86/782015986.db2.gz MORFOAUGAJQZBN-SOLBZPMBSA-N 1 1 345.447 0.794 20 30 ECEDMO C[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C1=CC[N@@H+](C)CC1 ZINC000329345641 299006119 /nfs/dbraw/zinc/00/61/19/299006119.db2.gz QZZHXYDJGNSYER-GXTWGEPZSA-N 1 1 344.481 0.564 20 30 ECEDMO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC[N@@H+]1C ZINC000488629424 421222208 /nfs/dbraw/zinc/22/22/08/421222208.db2.gz LYGPRNRNELAJJZ-ZDUSSCGKSA-N 1 1 332.408 0.534 20 30 ECEDMO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC[N@H+]1C ZINC000488629424 421222209 /nfs/dbraw/zinc/22/22/09/421222209.db2.gz LYGPRNRNELAJJZ-ZDUSSCGKSA-N 1 1 332.408 0.534 20 30 ECEDMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000177523670 263154003 /nfs/dbraw/zinc/15/40/03/263154003.db2.gz BPINPPHJLBHTOE-UHFFFAOYSA-N 1 1 330.388 0.412 20 30 ECEDMO COC(C[N@@H+](CCCO)C[C@@H](O)COc1ccc(C#N)cc1)OC ZINC000272740144 263368527 /nfs/dbraw/zinc/36/85/27/263368527.db2.gz GWFJESFDTQTQJI-OAHLLOKOSA-N 1 1 338.404 0.601 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000283854424 264160053 /nfs/dbraw/zinc/16/00/53/264160053.db2.gz FUIGPIMCRNAUAI-AWEZNQCLSA-N 1 1 346.431 0.820 20 30 ECEDMO CN(C)CCOCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000318571152 270005707 /nfs/dbraw/zinc/00/57/07/270005707.db2.gz FJYYSKUFYAVKDG-UHFFFAOYSA-N 1 1 325.434 0.500 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 ZINC000337050648 266149752 /nfs/dbraw/zinc/14/97/52/266149752.db2.gz NFNOMTBOMLSFGK-ZIAGYGMSSA-N 1 1 333.440 0.101 20 30 ECEDMO C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[N@H+](C2CCC2)C1 ZINC000292419299 267061101 /nfs/dbraw/zinc/06/11/01/267061101.db2.gz WITQOLPPSIBTRJ-LBPRGKRZSA-N 1 1 331.420 0.266 20 30 ECEDMO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000332485859 267066828 /nfs/dbraw/zinc/06/68/28/267066828.db2.gz XVYIEPKXSLTHSN-OCCSQVGLSA-N 1 1 327.388 0.977 20 30 ECEDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000332485859 267066831 /nfs/dbraw/zinc/06/68/31/267066831.db2.gz XVYIEPKXSLTHSN-OCCSQVGLSA-N 1 1 327.388 0.977 20 30 ECEDMO C[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)n1cnc(C#N)n1 ZINC000336985092 267126476 /nfs/dbraw/zinc/12/64/76/267126476.db2.gz GZUUJKUHNAVNJD-HUUCEWRRSA-N 1 1 345.451 0.339 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366306839 267140574 /nfs/dbraw/zinc/14/05/74/267140574.db2.gz GGSSFPWOUCJVDA-RAIGVLPGSA-N 1 1 326.356 0.480 20 30 ECEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366306839 267140575 /nfs/dbraw/zinc/14/05/75/267140575.db2.gz GGSSFPWOUCJVDA-RAIGVLPGSA-N 1 1 326.356 0.480 20 30 ECEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000284061561 267227321 /nfs/dbraw/zinc/22/73/21/267227321.db2.gz QSTQVXXIENTNOD-LRDDRELGSA-N 1 1 326.400 0.773 20 30 ECEDMO C[C@](O)(CNC(=O)COc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000359837991 267257634 /nfs/dbraw/zinc/25/76/34/267257634.db2.gz CWQDYYQRZGKTQJ-KRWDZBQOSA-N 1 1 333.388 0.136 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000369356028 268046428 /nfs/dbraw/zinc/04/64/28/268046428.db2.gz UGDKOIDJLUIXAZ-KRWDZBQOSA-N 1 1 328.416 0.695 20 30 ECEDMO Cc1ncc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccncc2)cc1C#N ZINC000519183121 268083240 /nfs/dbraw/zinc/08/32/40/268083240.db2.gz JPWPIEGUZDTPFH-INIZCTEOSA-N 1 1 343.412 0.992 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1 ZINC000329157015 268179026 /nfs/dbraw/zinc/17/90/26/268179026.db2.gz CZKCZXYWFOSVTO-SQWLQELKSA-N 1 1 336.413 0.417 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1 ZINC000329157015 268179027 /nfs/dbraw/zinc/17/90/27/268179027.db2.gz CZKCZXYWFOSVTO-SQWLQELKSA-N 1 1 336.413 0.417 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000359515186 268179039 /nfs/dbraw/zinc/17/90/39/268179039.db2.gz MESLFERGQZDMKP-HIFRSBDPSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000359515186 268179042 /nfs/dbraw/zinc/17/90/42/268179042.db2.gz MESLFERGQZDMKP-HIFRSBDPSA-N 1 1 339.417 0.051 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000290984699 268199162 /nfs/dbraw/zinc/19/91/62/268199162.db2.gz YZBVRRMVKQISFT-UHFFFAOYSA-N 1 1 348.428 0.215 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000340972566 268263376 /nfs/dbraw/zinc/26/33/76/268263376.db2.gz OTZAGHGDGAHFKJ-OAHLLOKOSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000340972566 268263377 /nfs/dbraw/zinc/26/33/77/268263377.db2.gz OTZAGHGDGAHFKJ-OAHLLOKOSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000340972561 268263470 /nfs/dbraw/zinc/26/34/70/268263470.db2.gz OTZAGHGDGAHFKJ-HNNXBMFYSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000340972561 268263472 /nfs/dbraw/zinc/26/34/72/268263472.db2.gz OTZAGHGDGAHFKJ-HNNXBMFYSA-N 1 1 328.372 0.476 20 30 ECEDMO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)c1 ZINC000331909663 268293583 /nfs/dbraw/zinc/29/35/83/268293583.db2.gz XUPMOIPERWXUOX-OAHLLOKOSA-N 1 1 329.404 0.059 20 30 ECEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366814435 268307700 /nfs/dbraw/zinc/30/77/00/268307700.db2.gz WZIPINYYBUYJDG-VXGBXAGGSA-N 1 1 334.401 0.538 20 30 ECEDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@H]1C ZINC000453710462 274267678 /nfs/dbraw/zinc/26/76/78/274267678.db2.gz DHCPCNLSNHENCX-ZIAGYGMSSA-N 1 1 344.415 0.605 20 30 ECEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@H]1C ZINC000453710462 274267682 /nfs/dbraw/zinc/26/76/82/274267682.db2.gz DHCPCNLSNHENCX-ZIAGYGMSSA-N 1 1 344.415 0.605 20 30 ECEDMO COC(=O)c1cn([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000358040304 277167189 /nfs/dbraw/zinc/16/71/89/277167189.db2.gz YEJOXPCKHFBXIR-OLZOCXBDSA-N 1 1 348.407 0.462 20 30 ECEDMO COC(=O)c1cn([C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000358040304 277167191 /nfs/dbraw/zinc/16/71/91/277167191.db2.gz YEJOXPCKHFBXIR-OLZOCXBDSA-N 1 1 348.407 0.462 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329107146 277220533 /nfs/dbraw/zinc/22/05/33/277220533.db2.gz HTZWFHSGNFARPL-INMHGKMJSA-N 1 1 341.452 0.939 20 30 ECEDMO COC(=O)c1cc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)oc1C ZINC000330712552 437597229 /nfs/dbraw/zinc/59/72/29/437597229.db2.gz AXFWQWMYUIQQTL-GFCCVEGCSA-N 1 1 338.408 0.624 20 30 ECEDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000329612399 279116914 /nfs/dbraw/zinc/11/69/14/279116914.db2.gz OLWRQSKGLMNTRC-MGPQQGTHSA-N 1 1 334.424 0.822 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408029259 279225491 /nfs/dbraw/zinc/22/54/91/279225491.db2.gz SPOULEPUWAUJKW-RDBSUJKOSA-N 1 1 330.454 0.118 20 30 ECEDMO Cn1c(=O)c2cc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cnc2n(C)c1=O ZINC000329335479 279302341 /nfs/dbraw/zinc/30/23/41/279302341.db2.gz XSKAVVBJUMVQRV-LLVKDONJSA-N 1 1 343.387 0.174 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041720787 782052083 /nfs/dbraw/zinc/05/20/83/782052083.db2.gz VUSWAVSZZWQWQY-WBVHZDCISA-N 1 1 338.473 0.759 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2noc(C)c2C#N)C[C@H]1C ZINC000330766940 437610716 /nfs/dbraw/zinc/61/07/16/437610716.db2.gz RHHFGTGCSIGIAZ-LLVKDONJSA-N 1 1 334.376 0.493 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2noc(C)c2C#N)C[C@H]1C ZINC000330766940 437610722 /nfs/dbraw/zinc/61/07/22/437610722.db2.gz RHHFGTGCSIGIAZ-LLVKDONJSA-N 1 1 334.376 0.493 20 30 ECEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 ZINC000377069764 290391718 /nfs/dbraw/zinc/39/17/18/290391718.db2.gz CJPBNMMLCLFYGC-LSDHHAIUSA-N 1 1 335.452 0.922 20 30 ECEDMO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000330814055 437622530 /nfs/dbraw/zinc/62/25/30/437622530.db2.gz KOQZSFHGDDRERW-OLZOCXBDSA-N 1 1 333.454 0.130 20 30 ECEDMO N#Cc1ncn(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000014144262 436071483 /nfs/dbraw/zinc/07/14/83/436071483.db2.gz YJKFWMCLAWQHJD-UHFFFAOYSA-N 1 1 340.387 0.298 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000073524109 436081827 /nfs/dbraw/zinc/08/18/27/436081827.db2.gz FPUXKBZVNSXMSR-UHFFFAOYSA-N 1 1 325.376 0.279 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000073524109 436081833 /nfs/dbraw/zinc/08/18/33/436081833.db2.gz FPUXKBZVNSXMSR-UHFFFAOYSA-N 1 1 325.376 0.279 20 30 ECEDMO CN(C)C(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000024675312 436136197 /nfs/dbraw/zinc/13/61/97/436136197.db2.gz PMVMNSXLCDGGNT-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CCCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000024675312 436136205 /nfs/dbraw/zinc/13/62/05/436136205.db2.gz PMVMNSXLCDGGNT-UHFFFAOYSA-N 1 1 343.431 0.593 20 30 ECEDMO N#Cc1ccccc1N1CCC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC000076969717 436219666 /nfs/dbraw/zinc/21/96/66/436219666.db2.gz RBTPKLNAINPLDE-UHFFFAOYSA-N 1 1 327.388 0.622 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)NCC#Cc2ccccc2)CC1 ZINC000045432397 436366327 /nfs/dbraw/zinc/36/63/27/436366327.db2.gz JPDBUTZITCPDAV-UHFFFAOYSA-N 1 1 328.416 0.501 20 30 ECEDMO C#CCN(C(=O)N[C@@H](C)C[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000091210728 436443781 /nfs/dbraw/zinc/44/37/81/436443781.db2.gz CCRQITIPZUNZLY-GJZGRUSLSA-N 1 1 341.477 0.693 20 30 ECEDMO CC[N@@H+](CCC(=O)OC)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091552009 436451684 /nfs/dbraw/zinc/45/16/84/436451684.db2.gz MEKOYHIYDPLMCH-HNNXBMFYSA-N 1 1 338.452 0.564 20 30 ECEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000089820604 436416555 /nfs/dbraw/zinc/41/65/55/436416555.db2.gz RCNAFASBQKGSOR-HNNXBMFYSA-N 1 1 330.432 0.884 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000092794029 436476690 /nfs/dbraw/zinc/47/66/90/436476690.db2.gz OOKZLXAUCGWJOD-UHFFFAOYSA-N 1 1 343.431 0.992 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000536369145 302136128 /nfs/dbraw/zinc/13/61/28/302136128.db2.gz IRDHTBHAQVXWSK-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000536369145 302136131 /nfs/dbraw/zinc/13/61/31/302136131.db2.gz IRDHTBHAQVXWSK-INIZCTEOSA-N 1 1 326.400 0.871 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)CNC(=O)c2ccc(OCC)cc2)CC1 ZINC000064442421 436649053 /nfs/dbraw/zinc/64/90/53/436649053.db2.gz NBNHIYDSSCDMRF-UHFFFAOYSA-N 1 1 343.427 0.983 20 30 ECEDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ncc(C#N)cc2C)[C@@H](C)C1 ZINC000551934899 302373717 /nfs/dbraw/zinc/37/37/17/302373717.db2.gz QQJVVGVGLGVRIG-ZDUSSCGKSA-N 1 1 330.388 0.971 20 30 ECEDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ncc(C#N)cc2C)[C@@H](C)C1 ZINC000551934899 302373718 /nfs/dbraw/zinc/37/37/18/302373718.db2.gz QQJVVGVGLGVRIG-ZDUSSCGKSA-N 1 1 330.388 0.971 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195520699 436693810 /nfs/dbraw/zinc/69/38/10/436693810.db2.gz ILRUWQOHLFRIFH-OLZOCXBDSA-N 1 1 346.435 0.804 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195520699 436693814 /nfs/dbraw/zinc/69/38/14/436693814.db2.gz ILRUWQOHLFRIFH-OLZOCXBDSA-N 1 1 346.435 0.804 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@H+](C)C2CC2)c1 ZINC000066870895 436697044 /nfs/dbraw/zinc/69/70/44/436697044.db2.gz JAPKRPJUWSWPKJ-UHFFFAOYSA-N 1 1 337.445 0.975 20 30 ECEDMO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C[NH+]1CCOCC1 ZINC000120896127 436700784 /nfs/dbraw/zinc/70/07/84/436700784.db2.gz UHTLKZYGTPGJNS-GFCCVEGCSA-N 1 1 348.378 0.720 20 30 ECEDMO C[NH+]1CCN(C(=O)CN2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000120929093 436702732 /nfs/dbraw/zinc/70/27/32/436702732.db2.gz DANUXSLLGDSRTJ-UHFFFAOYSA-N 1 1 345.422 0.593 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1cncc(C#N)c1 ZINC000558471304 302470968 /nfs/dbraw/zinc/47/09/68/302470968.db2.gz OTJXMEAMGGHEKB-UHFFFAOYSA-N 1 1 325.438 0.067 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)C[C@@H](C)O1 ZINC000153334580 436754046 /nfs/dbraw/zinc/75/40/46/436754046.db2.gz VFWTZBMUKSYKSR-VXGBXAGGSA-N 1 1 334.424 0.364 20 30 ECEDMO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000068845941 436756154 /nfs/dbraw/zinc/75/61/54/436756154.db2.gz INPCKQBGXXAHCX-INIZCTEOSA-N 1 1 339.399 0.910 20 30 ECEDMO N#Cc1cccnc1N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000247657118 436796160 /nfs/dbraw/zinc/79/61/60/436796160.db2.gz PVFKCGDRAOKJRP-IAGOWNOFSA-N 1 1 346.431 0.632 20 30 ECEDMO C[N@@H+]1CCN(c2cnc(C#N)cn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000127289032 436800211 /nfs/dbraw/zinc/80/02/11/436800211.db2.gz VBBVFAAOMCWTPY-CYBMUJFWSA-N 1 1 332.408 0.993 20 30 ECEDMO C[N@H+]1CCN(c2cnc(C#N)cn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000127289032 436800213 /nfs/dbraw/zinc/80/02/13/436800213.db2.gz VBBVFAAOMCWTPY-CYBMUJFWSA-N 1 1 332.408 0.993 20 30 ECEDMO C=CCN(CC=C)C(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159395633 436858589 /nfs/dbraw/zinc/85/85/89/436858589.db2.gz PCQXOYKYNTTXBP-INIZCTEOSA-N 1 1 334.464 0.601 20 30 ECEDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000274428377 436825265 /nfs/dbraw/zinc/82/52/65/436825265.db2.gz JKNXSQDMMOSIGU-CYBMUJFWSA-N 1 1 348.403 0.346 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000293845308 436913645 /nfs/dbraw/zinc/91/36/45/436913645.db2.gz QXPVNMYUWHLRCU-UHFFFAOYSA-N 1 1 342.392 0.846 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000293558149 436888040 /nfs/dbraw/zinc/88/80/40/436888040.db2.gz RUNQCXABRAPYTK-UHFFFAOYSA-N 1 1 329.400 0.593 20 30 ECEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261932491 436896367 /nfs/dbraw/zinc/89/63/67/436896367.db2.gz BSOGTOUAYOXTDN-JKSUJKDBSA-N 1 1 344.463 0.110 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CC[C@H](Oc2ccccn2)C1 ZINC000261932488 436896707 /nfs/dbraw/zinc/89/67/07/436896707.db2.gz BSOGTOUAYOXTDN-CVEARBPZSA-N 1 1 344.463 0.110 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000293687507 436899519 /nfs/dbraw/zinc/89/95/19/436899519.db2.gz BNJYGNHKSAZFML-UHFFFAOYSA-N 1 1 342.392 0.846 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](n3ccc(C(=O)NC)n3)C2)C1=O ZINC000281453654 436970198 /nfs/dbraw/zinc/97/01/98/436970198.db2.gz UUGAWVNDPUOYCY-DZGCQCFKSA-N 1 1 331.420 0.667 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)C1=O ZINC000281476100 436973936 /nfs/dbraw/zinc/97/39/36/436973936.db2.gz WGTNXGMHMZZTRP-ZDUSSCGKSA-N 1 1 334.420 0.570 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)C1=O ZINC000281476100 436973940 /nfs/dbraw/zinc/97/39/40/436973940.db2.gz WGTNXGMHMZZTRP-ZDUSSCGKSA-N 1 1 334.420 0.570 20 30 ECEDMO C[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1CC[NH+](C)CC1 ZINC000263668896 436976226 /nfs/dbraw/zinc/97/62/26/436976226.db2.gz KJTMGFZNHIZJFV-HNNXBMFYSA-N 1 1 342.447 0.238 20 30 ECEDMO C[C@@H]1CCCCN1CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264093747 437017629 /nfs/dbraw/zinc/01/76/29/437017629.db2.gz LXRKFLRZCQVCDA-OAHLLOKOSA-N 1 1 331.468 0.788 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264165911 437018527 /nfs/dbraw/zinc/01/85/27/437018527.db2.gz GTRVRHOCFXRMIF-CYBMUJFWSA-N 1 1 347.419 0.613 20 30 ECEDMO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000296441332 436991154 /nfs/dbraw/zinc/99/11/54/436991154.db2.gz WAVJAOHCKRYDAY-SFHVURJKSA-N 1 1 345.399 0.686 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCCS(=O)(=O)c1ccccc1 ZINC000296946369 436997554 /nfs/dbraw/zinc/99/75/54/436997554.db2.gz PXAQAHDWLZHXET-UHFFFAOYSA-N 1 1 337.445 0.715 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)NCCS(=O)(=O)c1ccccc1 ZINC000296946369 436997555 /nfs/dbraw/zinc/99/75/55/436997555.db2.gz PXAQAHDWLZHXET-UHFFFAOYSA-N 1 1 337.445 0.715 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000296931307 436997905 /nfs/dbraw/zinc/99/79/05/436997905.db2.gz OXOOEEWJPADTJV-AWEZNQCLSA-N 1 1 346.435 0.088 20 30 ECEDMO C#CCNC(=O)CCN1C[C@H](C)[N@H+](CCC(=O)NCC#C)CC1(C)C ZINC000296833553 436998385 /nfs/dbraw/zinc/99/83/85/436998385.db2.gz WQMLCFXTRRDMNZ-INIZCTEOSA-N 1 1 346.475 0.050 20 30 ECEDMO C#CCNC(=O)CCN1CC(C)(C)[N@@H+](CCC(=O)NCC#C)C[C@@H]1C ZINC000296833553 436998388 /nfs/dbraw/zinc/99/83/88/436998388.db2.gz WQMLCFXTRRDMNZ-INIZCTEOSA-N 1 1 346.475 0.050 20 30 ECEDMO C#CCNC(=O)CCN1CC(C)(C)[N@H+](CCC(=O)NCC#C)C[C@@H]1C ZINC000296833553 436998391 /nfs/dbraw/zinc/99/83/91/436998391.db2.gz WQMLCFXTRRDMNZ-INIZCTEOSA-N 1 1 346.475 0.050 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275752154 437009846 /nfs/dbraw/zinc/00/98/46/437009846.db2.gz YOGWRMZKPXXCJI-LBPRGKRZSA-N 1 1 345.403 0.743 20 30 ECEDMO COCCC[N@@H+](C)CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000173557847 437056937 /nfs/dbraw/zinc/05/69/37/437056937.db2.gz HMDKJKFYCQKSMJ-UHFFFAOYSA-N 1 1 332.404 0.373 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000299340171 437071357 /nfs/dbraw/zinc/07/13/57/437071357.db2.gz QUCASFPOTRCHKM-HRCADAONSA-N 1 1 345.443 0.718 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000264838125 437093015 /nfs/dbraw/zinc/09/30/15/437093015.db2.gz MMDMLHIZDCXDIR-ZDUSSCGKSA-N 1 1 349.822 0.512 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C#N)(N(C)C)CC1 ZINC000331439811 437095852 /nfs/dbraw/zinc/09/58/52/437095852.db2.gz XFMHHQLMXXNBQO-UKRRQHHQSA-N 1 1 347.463 0.032 20 30 ECEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000265417661 437126818 /nfs/dbraw/zinc/12/68/18/437126818.db2.gz ZSLQACLMXHVVJR-UHFFFAOYSA-N 1 1 348.403 0.590 20 30 ECEDMO N#Cc1ccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000176215592 437134034 /nfs/dbraw/zinc/13/40/34/437134034.db2.gz KZPPVLOLYJJZEI-UHFFFAOYSA-N 1 1 327.348 0.880 20 30 ECEDMO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000265489507 437139047 /nfs/dbraw/zinc/13/90/47/437139047.db2.gz AULHEVZVOLUGQT-MRXNPFEDSA-N 1 1 344.415 0.626 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000331984042 437191282 /nfs/dbraw/zinc/19/12/82/437191282.db2.gz MSOFLOJZSILACT-QWRGUYRKSA-N 1 1 329.422 0.225 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000331984042 437191285 /nfs/dbraw/zinc/19/12/85/437191285.db2.gz MSOFLOJZSILACT-QWRGUYRKSA-N 1 1 329.422 0.225 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCS2(=O)=O)c1 ZINC000316982324 437191625 /nfs/dbraw/zinc/19/16/25/437191625.db2.gz KANCBFMCSPIYGZ-CQSZACIVSA-N 1 1 342.442 0.499 20 30 ECEDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000332305036 437211749 /nfs/dbraw/zinc/21/17/49/437211749.db2.gz QXOZQKJMHRDSDS-GOEBONIOSA-N 1 1 347.463 0.874 20 30 ECEDMO C[C@@H](O)C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000305768625 437165645 /nfs/dbraw/zinc/16/56/45/437165645.db2.gz GEVVWQKXKRWHHR-KGLIPLIRSA-N 1 1 336.461 0.770 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000328650919 437246919 /nfs/dbraw/zinc/24/69/19/437246919.db2.gz JICQWKMOQPHSSQ-CHWSQXEVSA-N 1 1 332.470 0.241 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)CC1 ZINC000333175692 437261976 /nfs/dbraw/zinc/26/19/76/437261976.db2.gz QVCKFMZLACLIQZ-FJIDUMEYSA-N 1 1 348.491 0.772 20 30 ECEDMO C[NH+](C)[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1 ZINC000336901930 437308035 /nfs/dbraw/zinc/30/80/35/437308035.db2.gz CBYPMBRGMYRWPK-CABCVRRESA-N 1 1 338.433 0.348 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000336953925 437318660 /nfs/dbraw/zinc/31/86/60/437318660.db2.gz XAULBAVCIFRHMY-CHWSQXEVSA-N 1 1 330.454 0.308 20 30 ECEDMO CS(=O)(=O)N1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000328837394 437271343 /nfs/dbraw/zinc/27/13/43/437271343.db2.gz XTRPXZBZSYVBAX-MGPQQGTHSA-N 1 1 344.481 0.398 20 30 ECEDMO CC(=O)N1CC[C@H](CN(C)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000328873176 437277138 /nfs/dbraw/zinc/27/71/38/437277138.db2.gz YSWUXLICNQKGTI-GDBMZVCRSA-N 1 1 340.468 0.669 20 30 ECEDMO CC(=O)N1CCN(CCNC(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000328951286 437290573 /nfs/dbraw/zinc/29/05/73/437290573.db2.gz XEKOOBFDHBFTHL-ZDUSSCGKSA-N 1 1 328.482 0.544 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000334018821 437292860 /nfs/dbraw/zinc/29/28/60/437292860.db2.gz RQQGGAJAOAISQP-ZIAGYGMSSA-N 1 1 336.436 0.721 20 30 ECEDMO C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000336870354 437300061 /nfs/dbraw/zinc/30/00/61/437300061.db2.gz IYXBQULKMPIAJQ-LSDHHAIUSA-N 1 1 338.429 0.664 20 30 ECEDMO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000336870354 437300062 /nfs/dbraw/zinc/30/00/62/437300062.db2.gz IYXBQULKMPIAJQ-LSDHHAIUSA-N 1 1 338.429 0.664 20 30 ECEDMO CCC(=O)N1CC[C@H](NC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000329000624 437300586 /nfs/dbraw/zinc/30/05/86/437300586.db2.gz HMLQWDLUYIAOCC-IHRRRGAJSA-N 1 1 326.441 0.562 20 30 ECEDMO Cc1ccc(-c2nnn(CC(=O)NC[C@@H]3C[N@H+](C)CCN3C)n2)cc1 ZINC000329351386 437355982 /nfs/dbraw/zinc/35/59/82/437355982.db2.gz FIJKIMMKXZPPGQ-OAHLLOKOSA-N 1 1 343.435 0.851 20 30 ECEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCn1ncc(=O)c2ccccc21 ZINC000329376338 437359416 /nfs/dbraw/zinc/35/94/16/437359416.db2.gz OFGXAQLIPWWPPV-CQSZACIVSA-N 1 1 343.431 0.989 20 30 ECEDMO CC(C)[C@@H](CNC(=O)N1CCN(C(C)C)C(=O)C1)[NH+]1CCOCC1 ZINC000329376784 437360291 /nfs/dbraw/zinc/36/02/91/437360291.db2.gz LOGKVOXKNGXJEI-OAHLLOKOSA-N 1 1 340.468 0.810 20 30 ECEDMO C[C@H](C(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)n1cccn1 ZINC000329389513 437362524 /nfs/dbraw/zinc/36/25/24/437362524.db2.gz UMZDYPLMNYZMGE-ZIAGYGMSSA-N 1 1 336.440 0.105 20 30 ECEDMO O=C(CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1)NC1CC1 ZINC000329443223 437369723 /nfs/dbraw/zinc/36/97/23/437369723.db2.gz KLJUJDKLABNHDT-CQSZACIVSA-N 1 1 335.452 0.874 20 30 ECEDMO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC[NH+]2CCSCC2)C1=O ZINC000329451828 437371291 /nfs/dbraw/zinc/37/12/91/437371291.db2.gz PBCQXLNHWSJHEP-HNNXBMFYSA-N 1 1 340.449 0.917 20 30 ECEDMO O=C(C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)NC(=O)NC1CC1 ZINC000329144793 437323879 /nfs/dbraw/zinc/32/38/79/437323879.db2.gz WOBVDMLSHGVQAC-INIZCTEOSA-N 1 1 338.408 0.469 20 30 ECEDMO O=C(C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)NC(=O)NC1CC1 ZINC000329144793 437323882 /nfs/dbraw/zinc/32/38/82/437323882.db2.gz WOBVDMLSHGVQAC-INIZCTEOSA-N 1 1 338.408 0.469 20 30 ECEDMO O=C(C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)NC(=O)NC1CC1 ZINC000329144794 437324704 /nfs/dbraw/zinc/32/47/04/437324704.db2.gz WOBVDMLSHGVQAC-MRXNPFEDSA-N 1 1 338.408 0.469 20 30 ECEDMO O=C(C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)NC(=O)NC1CC1 ZINC000329144794 437324706 /nfs/dbraw/zinc/32/47/06/437324706.db2.gz WOBVDMLSHGVQAC-MRXNPFEDSA-N 1 1 338.408 0.469 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000337070615 437326957 /nfs/dbraw/zinc/32/69/57/437326957.db2.gz OCYOXQOXXROOBF-LSDHHAIUSA-N 1 1 346.497 0.539 20 30 ECEDMO C=CCCc1ccccc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000337671977 437376291 /nfs/dbraw/zinc/37/62/91/437376291.db2.gz WIOKTJITJLIKNK-GOSISDBHSA-N 1 1 331.416 0.927 20 30 ECEDMO CCN(CCC#N)S(=O)(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000337155130 437336808 /nfs/dbraw/zinc/33/68/08/437336808.db2.gz NNEXVTFMTQJFPF-CQSZACIVSA-N 1 1 332.470 0.557 20 30 ECEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C[C@@H](O)CN1CCOCC1 ZINC000337178011 437338737 /nfs/dbraw/zinc/33/87/37/437338737.db2.gz KJWXSHOSRKQRSC-MRXNPFEDSA-N 1 1 325.453 0.712 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1cccnc1C#N ZINC000288613336 437339359 /nfs/dbraw/zinc/33/93/59/437339359.db2.gz LHVZDRCAAZFAPN-UHFFFAOYSA-N 1 1 325.438 0.115 20 30 ECEDMO CN(CCCNS(=O)(=O)c1cccnc1C#N)CC[NH+](C)C ZINC000288613336 437339363 /nfs/dbraw/zinc/33/93/63/437339363.db2.gz LHVZDRCAAZFAPN-UHFFFAOYSA-N 1 1 325.438 0.115 20 30 ECEDMO C[C@H](CNC(=O)N1CCC[C@@H](n2cncn2)C1)C[NH+]1CCN(C)CC1 ZINC000329810593 437416991 /nfs/dbraw/zinc/41/69/91/437416991.db2.gz QVSBNJKDLCAJEI-HZPDHXFCSA-N 1 1 349.483 0.713 20 30 ECEDMO CCN1CCN(CC(=O)NCC[N@H+]2CCCC(C)(C)C2)C(=O)C1=O ZINC000329898714 437427198 /nfs/dbraw/zinc/42/71/98/437427198.db2.gz FAEQKXPHBCDHAR-UHFFFAOYSA-N 1 1 338.452 0.756 20 30 ECEDMO CS(=O)(=O)[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329892981 437427808 /nfs/dbraw/zinc/42/78/08/437427808.db2.gz AQBBZQMZOKQEDM-QWHCGFSZSA-N 1 1 340.449 0.869 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279186534 437383262 /nfs/dbraw/zinc/38/32/62/437383262.db2.gz CEGYCAJCFKYFCH-YCPHGPKFSA-N 1 1 335.427 0.402 20 30 ECEDMO O=C(NCC[N@H+]1CCCOCC1)Nc1ccc(C(F)(F)F)nn1 ZINC000329918074 437430940 /nfs/dbraw/zinc/43/09/40/437430940.db2.gz RBGUKECVGIIZED-UHFFFAOYSA-N 1 1 333.314 1.544 20 30 ECEDMO C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329632135 437395041 /nfs/dbraw/zinc/39/50/41/437395041.db2.gz WDTCJPSFAANHIT-RBSFLKMASA-N 1 1 338.452 0.706 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCCCS1(=O)=O ZINC000329672759 437398428 /nfs/dbraw/zinc/39/84/28/437398428.db2.gz USYBXQVSGDGNCF-BNOWGMLFSA-N 1 1 329.466 0.940 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCCCS1(=O)=O ZINC000329672759 437398429 /nfs/dbraw/zinc/39/84/29/437398429.db2.gz USYBXQVSGDGNCF-BNOWGMLFSA-N 1 1 329.466 0.940 20 30 ECEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000329672760 437399677 /nfs/dbraw/zinc/39/96/77/437399677.db2.gz USYBXQVSGDGNCF-XBFCOCLRSA-N 1 1 329.466 0.940 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000329672760 437399682 /nfs/dbraw/zinc/39/96/82/437399682.db2.gz USYBXQVSGDGNCF-XBFCOCLRSA-N 1 1 329.466 0.940 20 30 ECEDMO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000330212857 437470144 /nfs/dbraw/zinc/47/01/44/437470144.db2.gz KNDWPWDMISJXKJ-ZBFHGGJFSA-N 1 1 340.468 0.715 20 30 ECEDMO CCn1cc(-c2n[nH]cc2C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000330233512 437472285 /nfs/dbraw/zinc/47/22/85/437472285.db2.gz SEYMRXMZKOVTRQ-ZDUSSCGKSA-N 1 1 331.424 0.844 20 30 ECEDMO Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000330339939 437486534 /nfs/dbraw/zinc/48/65/34/437486534.db2.gz XHBKUJLTSPFKRM-ZNMIVQPWSA-N 1 1 333.436 0.987 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@H]2CC[N@@H+](CC)C[C@H]21 ZINC000339015733 437433660 /nfs/dbraw/zinc/43/36/60/437433660.db2.gz BVFSXLRGSXZMMA-KFWWJZLASA-N 1 1 344.481 0.508 20 30 ECEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](CCO)C[C@H](C)O)c(OC)c1 ZINC000289926179 437449759 /nfs/dbraw/zinc/44/97/59/437449759.db2.gz UQOQXLMHEKZXQI-HOCLYGCPSA-N 1 1 339.432 0.839 20 30 ECEDMO Cn1cnc2c(c1=O)CCN(C(=O)N[C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000330074429 437450867 /nfs/dbraw/zinc/45/08/67/437450867.db2.gz CWHUDQHAHBMBIO-UKRRQHHQSA-N 1 1 331.420 0.679 20 30 ECEDMO C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1ncn(C)n1 ZINC000330209338 437468853 /nfs/dbraw/zinc/46/88/53/437468853.db2.gz BQJWFRFPDVLCLV-QWHCGFSZSA-N 1 1 336.440 0.975 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC[N@@H+]1C[C@@H](C)O ZINC000330375695 437495373 /nfs/dbraw/zinc/49/53/73/437495373.db2.gz CZFGOEZQAVJCMA-MGPQQGTHSA-N 1 1 332.470 0.100 20 30 ECEDMO CC[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC[N@H+]1C[C@@H](C)O ZINC000330375695 437495378 /nfs/dbraw/zinc/49/53/78/437495378.db2.gz CZFGOEZQAVJCMA-MGPQQGTHSA-N 1 1 332.470 0.100 20 30 ECEDMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000330383641 437497380 /nfs/dbraw/zinc/49/73/80/437497380.db2.gz YNXJTHSTHMYKET-UHFFFAOYSA-N 1 1 337.449 0.357 20 30 ECEDMO C#CCNc1nc(NC[C@H](O)C(C)C)nc(NC[C@H](O)C(C)C)[nH+]1 ZINC000290545749 437500480 /nfs/dbraw/zinc/50/04/80/437500480.db2.gz FLOAIMDNVZFULU-STQMWFEESA-N 1 1 336.440 0.774 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339722764 437501854 /nfs/dbraw/zinc/50/18/54/437501854.db2.gz NLEATBFPSXDOJE-HNNXBMFYSA-N 1 1 341.452 0.120 20 30 ECEDMO CCC[C@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@@H+]1CCOC ZINC000343141226 437514516 /nfs/dbraw/zinc/51/45/16/437514516.db2.gz QOMUEGKDYWNZSS-HNNXBMFYSA-N 1 1 338.452 0.756 20 30 ECEDMO CCC[C@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@H+]1CCOC ZINC000343141226 437514520 /nfs/dbraw/zinc/51/45/20/437514520.db2.gz QOMUEGKDYWNZSS-HNNXBMFYSA-N 1 1 338.452 0.756 20 30 ECEDMO CC(C)[C@@H]1CN(C(=O)C(=O)NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000340150127 437586438 /nfs/dbraw/zinc/58/64/38/437586438.db2.gz QMXUZGHNMMEEHY-INIZCTEOSA-N 1 1 328.416 0.973 20 30 ECEDMO CC(C)[C@@H]1CN(C(=O)C(=O)NCc2cccc(C#N)c2)CC[N@H+]1C ZINC000340150127 437586441 /nfs/dbraw/zinc/58/64/41/437586441.db2.gz QMXUZGHNMMEEHY-INIZCTEOSA-N 1 1 328.416 0.973 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2cscn2)CC1 ZINC000330693011 437590126 /nfs/dbraw/zinc/59/01/26/437590126.db2.gz YDDHFQIZIWNYJU-UHFFFAOYSA-N 1 1 325.438 0.699 20 30 ECEDMO CC(=O)N(C)C1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000330864815 437637702 /nfs/dbraw/zinc/63/77/02/437637702.db2.gz UQHWCDXNUYCLEQ-AWEZNQCLSA-N 1 1 340.468 0.811 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000331026161 437672736 /nfs/dbraw/zinc/67/27/36/437672736.db2.gz BILSFKXPGLDMRP-NSHDSACASA-N 1 1 344.412 0.024 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1 ZINC000343759714 437649065 /nfs/dbraw/zinc/64/90/65/437649065.db2.gz DHUVGFQLABSFGK-GDBMZVCRSA-N 1 1 334.464 0.306 20 30 ECEDMO COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CCO1 ZINC000330935513 437654306 /nfs/dbraw/zinc/65/43/06/437654306.db2.gz NQDUOSQAUXPMAT-KGLIPLIRSA-N 1 1 327.425 0.752 20 30 ECEDMO COCC[NH+]1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000330965557 437660249 /nfs/dbraw/zinc/66/02/49/437660249.db2.gz CHJKXIWVCSVGSW-UHFFFAOYSA-N 1 1 347.481 0.520 20 30 ECEDMO COc1ccc(C#N)cc1NC(=O)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343805429 437662974 /nfs/dbraw/zinc/66/29/74/437662974.db2.gz KMVQBZZMTOHMOH-UHFFFAOYSA-N 1 1 328.372 0.883 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340482814 437662971 /nfs/dbraw/zinc/66/29/71/437662971.db2.gz XXWDJIRRFPZFRM-WCVJEAGWSA-N 1 1 335.448 0.827 20 30 ECEDMO COC(=O)c1cn([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000355034541 437663334 /nfs/dbraw/zinc/66/33/34/437663334.db2.gz GCDWADPHXGSOJW-RYUDHWBXSA-N 1 1 334.380 0.072 20 30 ECEDMO COC(=O)c1cn([C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)nn1 ZINC000355034541 437663340 /nfs/dbraw/zinc/66/33/40/437663340.db2.gz GCDWADPHXGSOJW-RYUDHWBXSA-N 1 1 334.380 0.072 20 30 ECEDMO CC(C)[C@H](NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(N)=O ZINC000330996184 437665858 /nfs/dbraw/zinc/66/58/58/437665858.db2.gz ONKJBODOSUMASJ-ZDUSSCGKSA-N 1 1 327.429 0.602 20 30 ECEDMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)c(F)c3)[C@@H]2C1 ZINC000292457895 437693325 /nfs/dbraw/zinc/69/33/25/437693325.db2.gz YOIIHHINWPGMJY-HUUCEWRRSA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)c(F)c3)[C@@H]2C1 ZINC000292457895 437693332 /nfs/dbraw/zinc/69/33/32/437693332.db2.gz YOIIHHINWPGMJY-HUUCEWRRSA-N 1 1 339.392 0.791 20 30 ECEDMO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000331160884 437703071 /nfs/dbraw/zinc/70/30/71/437703071.db2.gz LUVVQYKQEXTTHO-GOEBONIOSA-N 1 1 348.447 0.936 20 30 ECEDMO C[NH+]1CCN(C(=O)Cn2cc(Nc3cnc(C#N)cn3)cn2)CC1 ZINC000355413614 437705035 /nfs/dbraw/zinc/70/50/35/437705035.db2.gz NIOCATMKBYVVCY-UHFFFAOYSA-N 1 1 326.364 0.062 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000356499036 437773251 /nfs/dbraw/zinc/77/32/51/437773251.db2.gz ACSGLZPWTIKSIL-UHFFFAOYSA-N 1 1 345.447 0.288 20 30 ECEDMO CN(CCCNC(=O)CNC(=O)c1ccc(C#N)cc1)CC[NH+](C)C ZINC000356499036 437773254 /nfs/dbraw/zinc/77/32/54/437773254.db2.gz ACSGLZPWTIKSIL-UHFFFAOYSA-N 1 1 345.447 0.288 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292773145 437721821 /nfs/dbraw/zinc/72/18/21/437721821.db2.gz PJRPGZLVQINUFV-GFCCVEGCSA-N 1 1 341.433 0.335 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292773145 437721826 /nfs/dbraw/zinc/72/18/26/437721826.db2.gz PJRPGZLVQINUFV-GFCCVEGCSA-N 1 1 341.433 0.335 20 30 ECEDMO C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000331229801 437722162 /nfs/dbraw/zinc/72/21/62/437722162.db2.gz PNEXMOJGAIILMS-UHFFFAOYSA-N 1 1 329.447 0.697 20 30 ECEDMO COC[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@H]1CCCO1 ZINC000331229890 437722184 /nfs/dbraw/zinc/72/21/84/437722184.db2.gz HEIIOQBPUIOQJI-SOUVJXGZSA-N 1 1 343.468 0.871 20 30 ECEDMO CCS(=O)(=O)C1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000331308899 437738993 /nfs/dbraw/zinc/73/89/93/437738993.db2.gz XPDDMEOXHXIQNE-UHFFFAOYSA-N 1 1 347.481 0.522 20 30 ECEDMO COc1cc(OC)cc(N2CCC[N@H+](CC(=O)NCC#N)CC2)c1 ZINC000344206831 437746391 /nfs/dbraw/zinc/74/63/91/437746391.db2.gz AOBZWRBZBSRDMX-UHFFFAOYSA-N 1 1 332.404 0.856 20 30 ECEDMO COc1cc(OC)cc(N2CCC[N@@H+](CC(=O)NCC#N)CC2)c1 ZINC000344206831 437746394 /nfs/dbraw/zinc/74/63/94/437746394.db2.gz AOBZWRBZBSRDMX-UHFFFAOYSA-N 1 1 332.404 0.856 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)(N(C)C)CC2)C[N@H+]1C1CC1 ZINC000331376463 437747236 /nfs/dbraw/zinc/74/72/36/437747236.db2.gz GZCSJJAVMBUELR-ZIAGYGMSSA-N 1 1 347.463 0.174 20 30 ECEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000346832807 437821247 /nfs/dbraw/zinc/82/12/47/437821247.db2.gz WHDDZWKYQMKZMN-UHFFFAOYSA-N 1 1 349.479 0.425 20 30 ECEDMO CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000346832807 437821254 /nfs/dbraw/zinc/82/12/54/437821254.db2.gz WHDDZWKYQMKZMN-UHFFFAOYSA-N 1 1 349.479 0.425 20 30 ECEDMO CC(C)C[C@@H](CNC(=O)CNc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000345536615 437793891 /nfs/dbraw/zinc/79/38/91/437793891.db2.gz INMKRFZJAOBFLW-INIZCTEOSA-N 1 1 345.447 1.228 20 30 ECEDMO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000370512243 437796410 /nfs/dbraw/zinc/79/64/10/437796410.db2.gz DBIGRJYANNLMDC-HOTGVXAUSA-N 1 1 342.395 0.824 20 30 ECEDMO N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000363638171 437802706 /nfs/dbraw/zinc/80/27/06/437802706.db2.gz QCLFZSYBFOJUEM-SJORKVTESA-N 1 1 347.463 0.563 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000346528821 437814930 /nfs/dbraw/zinc/81/49/30/437814930.db2.gz AELNTWCQXRXIQB-XRGAULLZSA-N 1 1 335.448 0.683 20 30 ECEDMO COCC1(C#N)CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000341556552 437868919 /nfs/dbraw/zinc/86/89/19/437868919.db2.gz XTFDFOLEFJFYMR-UHFFFAOYSA-N 1 1 326.466 0.997 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000365182208 437869746 /nfs/dbraw/zinc/86/97/46/437869746.db2.gz GZNIWSLJPNBTPL-CVEARBPZSA-N 1 1 348.447 0.021 20 30 ECEDMO N#Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341919485 437926735 /nfs/dbraw/zinc/92/67/35/437926735.db2.gz PJVXSTMFLQKOTD-NSHDSACASA-N 1 1 332.364 0.861 20 30 ECEDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000416305801 437912019 /nfs/dbraw/zinc/91/20/19/437912019.db2.gz JGDDMHFIIOCKGO-KBPBESRZSA-N 1 1 344.415 0.202 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC2(C[C@H]2C(=O)N(C)C2CC2)CC1 ZINC000371548316 437951187 /nfs/dbraw/zinc/95/11/87/437951187.db2.gz ZJTVJZKBGMLKKK-AWEZNQCLSA-N 1 1 348.447 0.721 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000347859903 437973146 /nfs/dbraw/zinc/97/31/46/437973146.db2.gz GJQHBTFAJKOFJW-ZDUSSCGKSA-N 1 1 344.415 0.609 20 30 ECEDMO Cc1nnc(NCCCCN2CC[NH+](CCO)CC2)c(C#N)c1C ZINC000342420839 438014056 /nfs/dbraw/zinc/01/40/56/438014056.db2.gz WXZFXDBZUUUKRQ-UHFFFAOYSA-N 1 1 332.452 0.767 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000425321279 438022739 /nfs/dbraw/zinc/02/27/39/438022739.db2.gz RQKULSNJAPTFLJ-WMLDXEAASA-N 1 1 325.453 0.884 20 30 ECEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366306006 438050775 /nfs/dbraw/zinc/05/07/75/438050775.db2.gz FFKUYBAHOVZNPM-FRRDWIJNSA-N 1 1 332.404 0.312 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000425910203 438048306 /nfs/dbraw/zinc/04/83/06/438048306.db2.gz UILMIWKVAAQGKI-KKUMJFAQSA-N 1 1 337.464 0.930 20 30 ECEDMO C=CCn1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000424907582 437996204 /nfs/dbraw/zinc/99/62/04/437996204.db2.gz KHPGFIMWCJFQJG-KRWDZBQOSA-N 1 1 341.415 0.981 20 30 ECEDMO C=CCn1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000424907582 437996208 /nfs/dbraw/zinc/99/62/08/437996208.db2.gz KHPGFIMWCJFQJG-KRWDZBQOSA-N 1 1 341.415 0.981 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CCCC1 ZINC000365968606 437996340 /nfs/dbraw/zinc/99/63/40/437996340.db2.gz NXUSWILCNPJISU-QGZVFWFLSA-N 1 1 348.491 0.980 20 30 ECEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(S(N)(=O)=O)CC2)cc1 ZINC000372403664 438086504 /nfs/dbraw/zinc/08/65/04/438086504.db2.gz GAMHDMQNDLEFCB-CYBMUJFWSA-N 1 1 338.433 0.689 20 30 ECEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCN(S(N)(=O)=O)CC2)cc1 ZINC000372403664 438086510 /nfs/dbraw/zinc/08/65/10/438086510.db2.gz GAMHDMQNDLEFCB-CYBMUJFWSA-N 1 1 338.433 0.689 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000430391711 438111587 /nfs/dbraw/zinc/11/15/87/438111587.db2.gz HGDQBJGJJGXHNK-JYJNAYRXSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000348947549 438118184 /nfs/dbraw/zinc/11/81/84/438118184.db2.gz JKKISPSIUVISBE-GJZGRUSLSA-N 1 1 325.453 0.884 20 30 ECEDMO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000357996974 438121987 /nfs/dbraw/zinc/12/19/87/438121987.db2.gz SVKQPQOMELDWAY-GJZGRUSLSA-N 1 1 325.453 0.932 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)CC1(C#N)CCC1 ZINC000349881906 438186861 /nfs/dbraw/zinc/18/68/61/438186861.db2.gz WZTYOMUHZFGVNS-UHFFFAOYSA-N 1 1 330.498 0.825 20 30 ECEDMO CN(CCCN(C)S(=O)(=O)CC1(C#N)CCC1)CC[NH+](C)C ZINC000349881906 438186865 /nfs/dbraw/zinc/18/68/65/438186865.db2.gz WZTYOMUHZFGVNS-UHFFFAOYSA-N 1 1 330.498 0.825 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(N2C(=O)CCCC2=O)CC1 ZINC000375317958 438247245 /nfs/dbraw/zinc/24/72/45/438247245.db2.gz IYRDLNGUZCVAOV-ZDUSSCGKSA-N 1 1 334.420 0.750 20 30 ECEDMO N#CCNC(=O)CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000376293936 438277108 /nfs/dbraw/zinc/27/71/08/438277108.db2.gz OZMYQVPPVBIVJB-MRXNPFEDSA-N 1 1 343.431 0.980 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000376383679 438280689 /nfs/dbraw/zinc/28/06/89/438280689.db2.gz GYCWFUVRPPXBET-ILXRZTDVSA-N 1 1 344.481 0.413 20 30 ECEDMO N#Cc1ncn(CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000376476015 438284164 /nfs/dbraw/zinc/28/41/64/438284164.db2.gz XNOIBEWLADXIAN-CQSZACIVSA-N 1 1 325.376 0.326 20 30 ECEDMO N#Cc1ncn(CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000376476015 438284171 /nfs/dbraw/zinc/28/41/71/438284171.db2.gz XNOIBEWLADXIAN-CQSZACIVSA-N 1 1 325.376 0.326 20 30 ECEDMO C#CCSCCNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000378063669 438346396 /nfs/dbraw/zinc/34/63/96/438346396.db2.gz WWAKCDTYKASUPD-LSDHHAIUSA-N 1 1 325.478 0.984 20 30 ECEDMO C#CCSCCNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000378063667 438344923 /nfs/dbraw/zinc/34/49/23/438344923.db2.gz WWAKCDTYKASUPD-HUUCEWRRSA-N 1 1 325.478 0.984 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)NCC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000377052127 438300286 /nfs/dbraw/zinc/30/02/86/438300286.db2.gz RCOHUKNEIAAZOG-UKRRQHHQSA-N 1 1 329.404 0.588 20 30 ECEDMO N#Cc1cccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000419073209 438312304 /nfs/dbraw/zinc/31/23/04/438312304.db2.gz CBYFDGMMABDVGQ-KRWDZBQOSA-N 1 1 349.394 0.743 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000368619488 438354609 /nfs/dbraw/zinc/35/46/09/438354609.db2.gz PJWKKKLONZASRF-KGLIPLIRSA-N 1 1 347.423 0.092 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000369221962 438440663 /nfs/dbraw/zinc/44/06/63/438440663.db2.gz YZJWPNNAODMHQD-SJORKVTESA-N 1 1 349.479 0.725 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000352570046 438443971 /nfs/dbraw/zinc/44/39/71/438443971.db2.gz BDHOHXKDJDCOKY-KGLIPLIRSA-N 1 1 329.466 0.377 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000352570046 438443975 /nfs/dbraw/zinc/44/39/75/438443975.db2.gz BDHOHXKDJDCOKY-KGLIPLIRSA-N 1 1 329.466 0.377 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000359354332 438418015 /nfs/dbraw/zinc/41/80/15/438418015.db2.gz TXFFLJBLOCUGTQ-HOTGVXAUSA-N 1 1 349.479 0.243 20 30 ECEDMO COCC[NH+](CCOC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000352884130 438488116 /nfs/dbraw/zinc/48/81/16/438488116.db2.gz LCNXHOJFKHEQQK-MRXNPFEDSA-N 1 1 340.468 0.274 20 30 ECEDMO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000352940236 438492657 /nfs/dbraw/zinc/49/26/57/438492657.db2.gz LTIDHFIIKBFVHU-GFCCVEGCSA-N 1 1 343.478 0.765 20 30 ECEDMO CN1C(=O)[C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CCN2C1=O ZINC000359880827 438514115 /nfs/dbraw/zinc/51/41/15/438514115.db2.gz SYHOFRUWXSBNRR-HNNXBMFYSA-N 1 1 328.372 0.905 20 30 ECEDMO C=C(C)CS(=O)(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000408407465 438568252 /nfs/dbraw/zinc/56/82/52/438568252.db2.gz XGMGMXMYWHKTRO-UHFFFAOYSA-N 1 1 343.493 0.768 20 30 ECEDMO C[N@@H+](CCCO)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000440965144 438572184 /nfs/dbraw/zinc/57/21/84/438572184.db2.gz WSDIQTUHPZNKRH-AWEZNQCLSA-N 1 1 336.461 0.771 20 30 ECEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2csnc2C(=O)OC)CC1 ZINC000443070022 438640164 /nfs/dbraw/zinc/64/01/64/438640164.db2.gz KXXUNFPIQDFDFC-UHFFFAOYSA-N 1 1 345.446 0.858 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1)C1CC1 ZINC000411967184 438683893 /nfs/dbraw/zinc/68/38/93/438683893.db2.gz HPVWLZQCJYJIHA-RTBURBONSA-N 1 1 340.427 0.924 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000453560036 438684892 /nfs/dbraw/zinc/68/48/92/438684892.db2.gz GIPMZUUERGONNP-UHFFFAOYSA-N 1 1 330.388 0.644 20 30 ECEDMO C=CCOc1ccc(CC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000450026511 438688550 /nfs/dbraw/zinc/68/85/50/438688550.db2.gz JHBPVPXCAYZYFI-LJQANCHMSA-N 1 1 348.443 0.993 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000451668821 438706650 /nfs/dbraw/zinc/70/66/50/438706650.db2.gz WRZSLMZDJGEDOD-MRXNPFEDSA-N 1 1 337.445 0.824 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)N2CCN(C)C[C@H](C(=O)OC)C2)CC1 ZINC000413234898 438692318 /nfs/dbraw/zinc/69/23/18/438692318.db2.gz ISRASNHYIWQWGE-AWEZNQCLSA-N 1 1 338.452 0.383 20 30 ECEDMO C=CCn1c(Cc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000548948334 438734451 /nfs/dbraw/zinc/73/44/51/438734451.db2.gz LCCBTWZVPRZIAR-INIZCTEOSA-N 1 1 340.431 0.971 20 30 ECEDMO C=CCn1c(Cc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000548948334 438734456 /nfs/dbraw/zinc/73/44/56/438734456.db2.gz LCCBTWZVPRZIAR-INIZCTEOSA-N 1 1 340.431 0.971 20 30 ECEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1cccnc1 ZINC000555445726 438775231 /nfs/dbraw/zinc/77/52/31/438775231.db2.gz ICZUNIVUAIOFPB-UHFFFAOYSA-N 1 1 327.392 1.152 20 30 ECEDMO C=CCC[C@@H](CO)NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000457606580 438814212 /nfs/dbraw/zinc/81/42/12/438814212.db2.gz HJZBSOBXTFAFDQ-JKSUJKDBSA-N 1 1 326.485 0.885 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601130429 438820432 /nfs/dbraw/zinc/82/04/32/438820432.db2.gz JSEWKBFTOJFTJO-OAHLLOKOSA-N 1 1 340.431 0.968 20 30 ECEDMO N#CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000601185417 438828312 /nfs/dbraw/zinc/82/83/12/438828312.db2.gz RMYLIVICUSRGOU-QGZVFWFLSA-N 1 1 342.443 0.889 20 30 ECEDMO C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000577348111 438832700 /nfs/dbraw/zinc/83/27/00/438832700.db2.gz SXUGBZZMMLJFSD-AAEUAGOBSA-N 1 1 329.360 0.347 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000595608701 438833719 /nfs/dbraw/zinc/83/37/19/438833719.db2.gz UCNVPVWPFKGYEY-HNNXBMFYSA-N 1 1 345.428 0.946 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000595608701 438833725 /nfs/dbraw/zinc/83/37/25/438833725.db2.gz UCNVPVWPFKGYEY-HNNXBMFYSA-N 1 1 345.428 0.946 20 30 ECEDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000595664765 438843798 /nfs/dbraw/zinc/84/37/98/438843798.db2.gz YYFNMJRETYWODB-UONOGXRCSA-N 1 1 338.385 0.252 20 30 ECEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(CCC#N)CC2)[C@@H](C)C1 ZINC000601465473 438906608 /nfs/dbraw/zinc/90/66/08/438906608.db2.gz TVRWDXBDPMWNEE-HOTGVXAUSA-N 1 1 349.479 0.233 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CC2=CCCOC2)CC1 ZINC000595746986 438856972 /nfs/dbraw/zinc/85/69/72/438856972.db2.gz IAOPUXVBCGNIPQ-QGZVFWFLSA-N 1 1 334.464 0.957 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC2=CCCOC2)CC1 ZINC000595746986 438856975 /nfs/dbraw/zinc/85/69/75/438856975.db2.gz IAOPUXVBCGNIPQ-QGZVFWFLSA-N 1 1 334.464 0.957 20 30 ECEDMO CC1(C)C(=O)N[C@H]1C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000564154714 438873087 /nfs/dbraw/zinc/87/30/87/438873087.db2.gz BIGBZCGTUIMJQA-INIZCTEOSA-N 1 1 345.447 0.879 20 30 ECEDMO C[C@@H](C#N)S(=O)(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000564306869 438873123 /nfs/dbraw/zinc/87/31/23/438873123.db2.gz WNLFWSMMOWMFRL-STQMWFEESA-N 1 1 342.490 0.868 20 30 ECEDMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000590315018 438909459 /nfs/dbraw/zinc/90/94/59/438909459.db2.gz CNJBFPJRORHQSW-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000590315018 438909464 /nfs/dbraw/zinc/90/94/64/438909464.db2.gz CNJBFPJRORHQSW-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)ncc1C#N ZINC000565190470 438924125 /nfs/dbraw/zinc/92/41/25/438924125.db2.gz KOMMRRYHKRHBCJ-UHFFFAOYSA-N 1 1 327.388 0.968 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)s1 ZINC000516948200 438938989 /nfs/dbraw/zinc/93/89/89/438938989.db2.gz INUWJDJYBMUAEL-UHFFFAOYSA-N 1 1 330.479 0.734 20 30 ECEDMO COCC[N@@H+](C)C[C@H](O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000590604112 438941888 /nfs/dbraw/zinc/94/18/88/438941888.db2.gz XGFPFTVZXGGHMY-OALUTQOASA-N 1 1 346.475 0.808 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000601469757 438908844 /nfs/dbraw/zinc/90/88/44/438908844.db2.gz LEIGDRYYCCSTQN-INIZCTEOSA-N 1 1 349.456 0.972 20 30 ECEDMO Cc1cc(C(=O)N2CC[N@H+](CCC(=O)N(C)CCC#N)[C@H](C)C2)[nH]n1 ZINC000459593048 438977356 /nfs/dbraw/zinc/97/73/56/438977356.db2.gz QFEVLSHCUMTOIQ-CQSZACIVSA-N 1 1 346.435 0.627 20 30 ECEDMO Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C)C2)[nH]n1 ZINC000459593048 438977362 /nfs/dbraw/zinc/97/73/62/438977362.db2.gz QFEVLSHCUMTOIQ-CQSZACIVSA-N 1 1 346.435 0.627 20 30 ECEDMO Cc1cc(C(=O)N2CC[N@H+](CCC(=O)N(C)CCC#N)[C@H](C)C2)n[nH]1 ZINC000459593048 438977365 /nfs/dbraw/zinc/97/73/65/438977365.db2.gz QFEVLSHCUMTOIQ-CQSZACIVSA-N 1 1 346.435 0.627 20 30 ECEDMO Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C)C2)n[nH]1 ZINC000459593048 438977370 /nfs/dbraw/zinc/97/73/70/438977370.db2.gz QFEVLSHCUMTOIQ-CQSZACIVSA-N 1 1 346.435 0.627 20 30 ECEDMO N#Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@H]2C(N)=O)sc2c1CCC2 ZINC000596619792 438980913 /nfs/dbraw/zinc/98/09/13/438980913.db2.gz BTKCPKPXTXJSOB-SKDRFNHKSA-N 1 1 348.428 0.358 20 30 ECEDMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)sc2c1CCC2 ZINC000596619792 438980917 /nfs/dbraw/zinc/98/09/17/438980917.db2.gz BTKCPKPXTXJSOB-SKDRFNHKSA-N 1 1 348.428 0.358 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]23CCNC3=O)CC1 ZINC000565959497 438992863 /nfs/dbraw/zinc/99/28/63/438992863.db2.gz ONBBQDRIMKYVID-CRAIPNDOSA-N 1 1 347.463 0.033 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@]23CCNC3=O)CC1 ZINC000565959497 438992869 /nfs/dbraw/zinc/99/28/69/438992869.db2.gz ONBBQDRIMKYVID-CRAIPNDOSA-N 1 1 347.463 0.033 20 30 ECEDMO N#Cc1ncn(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000601965052 438993654 /nfs/dbraw/zinc/99/36/54/438993654.db2.gz MTIGRKVNFFJPSQ-KRWDZBQOSA-N 1 1 326.404 0.376 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000602040151 439001559 /nfs/dbraw/zinc/00/15/59/439001559.db2.gz WHIHYVHIDQIUPE-QMTHXVAHSA-N 1 1 334.351 0.471 20 30 ECEDMO C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000602040151 439001563 /nfs/dbraw/zinc/00/15/63/439001563.db2.gz WHIHYVHIDQIUPE-QMTHXVAHSA-N 1 1 334.351 0.471 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000459826152 439010997 /nfs/dbraw/zinc/01/09/97/439010997.db2.gz WBCHASDCZVXWFB-GJZGRUSLSA-N 1 1 325.453 0.715 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000459826152 439011002 /nfs/dbraw/zinc/01/10/02/439011002.db2.gz WBCHASDCZVXWFB-GJZGRUSLSA-N 1 1 325.453 0.715 20 30 ECEDMO N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)nc1 ZINC000602080791 439008451 /nfs/dbraw/zinc/00/84/51/439008451.db2.gz YOWYBCBJRPXMQL-HOTGVXAUSA-N 1 1 341.415 0.465 20 30 ECEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602240123 439046499 /nfs/dbraw/zinc/04/64/99/439046499.db2.gz QOUVEDLXNYWCOF-HOTGVXAUSA-N 1 1 349.479 0.281 20 30 ECEDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000602193818 439037252 /nfs/dbraw/zinc/03/72/52/439037252.db2.gz IBLMKVOWSHHBRC-QGZVFWFLSA-N 1 1 342.443 0.991 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCCOC3)CC2)o1 ZINC000520625750 439091149 /nfs/dbraw/zinc/09/11/49/439091149.db2.gz DVIXAVCGCJZHQO-CQSZACIVSA-N 1 1 347.419 0.614 20 30 ECEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000580568540 439106043 /nfs/dbraw/zinc/10/60/43/439106043.db2.gz JJNZDPCUGQWBHL-AWEZNQCLSA-N 1 1 345.403 0.427 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000597329898 439078512 /nfs/dbraw/zinc/07/85/12/439078512.db2.gz VVZDLHVJMPZMJI-DZGCQCFKSA-N 1 1 339.436 0.553 20 30 ECEDMO N#Cc1ccc(NCC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)nc1 ZINC000597707747 439163863 /nfs/dbraw/zinc/16/38/63/439163863.db2.gz QYALEFUDKZQUIZ-OAHLLOKOSA-N 1 1 329.404 0.688 20 30 ECEDMO COCC[N@@H+](C)C[C@@H](O)Cn1cc(COc2ccccc2C#N)nn1 ZINC000603258935 439221267 /nfs/dbraw/zinc/22/12/67/439221267.db2.gz KCDWCRMOASONRY-MRXNPFEDSA-N 1 1 345.403 0.668 20 30 ECEDMO CN1CCN(C(=O)C[N@H+](C)C[C@H](O)COc2ccccc2C#N)CC1 ZINC000602989679 439179026 /nfs/dbraw/zinc/17/90/26/439179026.db2.gz YYTLNGYDGAAWQG-INIZCTEOSA-N 1 1 346.431 0.004 20 30 ECEDMO CN1CCN(C(=O)C[N@@H+](C)C[C@H](O)COc2ccccc2C#N)CC1 ZINC000602989679 439179032 /nfs/dbraw/zinc/17/90/32/439179032.db2.gz YYTLNGYDGAAWQG-INIZCTEOSA-N 1 1 346.431 0.004 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000592200548 439181430 /nfs/dbraw/zinc/18/14/30/439181430.db2.gz SXSIFEICAXADGJ-ZIAGYGMSSA-N 1 1 334.372 0.801 20 30 ECEDMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)cc2C1 ZINC000592304119 439196790 /nfs/dbraw/zinc/19/67/90/439196790.db2.gz CUIKPCSNYDCKRA-QGZVFWFLSA-N 1 1 328.372 0.448 20 30 ECEDMO C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)cc2C1 ZINC000592304119 439196794 /nfs/dbraw/zinc/19/67/94/439196794.db2.gz CUIKPCSNYDCKRA-QGZVFWFLSA-N 1 1 328.372 0.448 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000581714616 439246050 /nfs/dbraw/zinc/24/60/50/439246050.db2.gz VITGARKNURRBFV-GXTWGEPZSA-N 1 1 332.408 0.358 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000581714616 439246052 /nfs/dbraw/zinc/24/60/52/439246052.db2.gz VITGARKNURRBFV-GXTWGEPZSA-N 1 1 332.408 0.358 20 30 ECEDMO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1=O ZINC000568502327 439253045 /nfs/dbraw/zinc/25/30/45/439253045.db2.gz PXWFDQVTNUEGDT-INWMFGNUSA-N 1 1 347.440 0.931 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000603409236 439256002 /nfs/dbraw/zinc/25/60/02/439256002.db2.gz JRIFLEYQAFEWFC-KRWDZBQOSA-N 1 1 343.431 0.480 20 30 ECEDMO C[N@H+]1CCCN(CCCNS(=O)(=O)c2ccsc2C#N)CC1 ZINC000603403285 439256273 /nfs/dbraw/zinc/25/62/73/439256273.db2.gz NERAVWNHTSLUER-UHFFFAOYSA-N 1 1 342.490 0.926 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000491039113 439323914 /nfs/dbraw/zinc/32/39/14/439323914.db2.gz NETCUTQKBLEUGF-GFCCVEGCSA-N 1 1 342.355 0.289 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000491039113 439323922 /nfs/dbraw/zinc/32/39/22/439323922.db2.gz NETCUTQKBLEUGF-GFCCVEGCSA-N 1 1 342.355 0.289 20 30 ECEDMO N#CC[C@]1(O)CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000592843994 439288189 /nfs/dbraw/zinc/28/81/89/439288189.db2.gz IJEJMURPYUGTLU-ZWKOTPCHSA-N 1 1 329.400 0.500 20 30 ECEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000598620114 439289652 /nfs/dbraw/zinc/28/96/52/439289652.db2.gz YSJYMMOYIHLOBT-KBPBESRZSA-N 1 1 328.420 1.516 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](COC)Cc2ccccc2)CC1 ZINC000490742170 439293978 /nfs/dbraw/zinc/29/39/78/439293978.db2.gz VTMJCGZHOTWKRD-IBGZPJMESA-N 1 1 343.471 0.953 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@H](COC)Cc2ccccc2)CC1 ZINC000490742170 439293983 /nfs/dbraw/zinc/29/39/83/439293983.db2.gz VTMJCGZHOTWKRD-IBGZPJMESA-N 1 1 343.471 0.953 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000490778997 439299016 /nfs/dbraw/zinc/29/90/16/439299016.db2.gz QLPIEKJLIGFAOL-INIZCTEOSA-N 1 1 329.448 0.377 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000490871946 439305045 /nfs/dbraw/zinc/30/50/45/439305045.db2.gz CZGJVZQYTXSKBZ-ZDUSSCGKSA-N 1 1 333.388 0.492 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000490892609 439306430 /nfs/dbraw/zinc/30/64/30/439306430.db2.gz MWKIBJPXKDOWRJ-ZDUSSCGKSA-N 1 1 335.404 0.738 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000490875410 439307815 /nfs/dbraw/zinc/30/78/15/439307815.db2.gz PYYUIPDPEJGYME-ILXRZTDVSA-N 1 1 332.400 0.802 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000490875835 439307997 /nfs/dbraw/zinc/30/79/97/439307997.db2.gz SBXHHDVGYYKRRE-LBPRGKRZSA-N 1 1 340.401 0.583 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000490875835 439308001 /nfs/dbraw/zinc/30/80/01/439308001.db2.gz SBXHHDVGYYKRRE-LBPRGKRZSA-N 1 1 340.401 0.583 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H](C)CCO)CC2)o1 ZINC000593107836 439343909 /nfs/dbraw/zinc/34/39/09/439343909.db2.gz OVDWQZPKQMXSFC-GFCCVEGCSA-N 1 1 335.408 0.206 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000491181315 439344523 /nfs/dbraw/zinc/34/45/23/439344523.db2.gz RYNLQPLKNIFRKP-KRWDZBQOSA-N 1 1 346.475 0.287 20 30 ECEDMO COC[C@]1(CO)CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528519679 439344758 /nfs/dbraw/zinc/34/47/58/439344758.db2.gz MTSDSJNHIYIKIT-LJQANCHMSA-N 1 1 342.395 0.617 20 30 ECEDMO CS(=O)(=O)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528513747 439345031 /nfs/dbraw/zinc/34/50/31/439345031.db2.gz VNAZGMNWJCCNLC-ZFWWWQNUSA-N 1 1 338.429 0.664 20 30 ECEDMO CS(=O)(=O)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528513747 439345037 /nfs/dbraw/zinc/34/50/37/439345037.db2.gz VNAZGMNWJCCNLC-ZFWWWQNUSA-N 1 1 338.429 0.664 20 30 ECEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@](O)(CO)C1 ZINC000528517169 439345520 /nfs/dbraw/zinc/34/55/20/439345520.db2.gz CXTYDVBNYKWYKP-GOSISDBHSA-N 1 1 328.368 0.105 20 30 ECEDMO CNC(=O)[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528529072 439346741 /nfs/dbraw/zinc/34/67/41/439346741.db2.gz VMTXKAQFEDZEFO-CYBMUJFWSA-N 1 1 325.368 0.354 20 30 ECEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000491202091 439347518 /nfs/dbraw/zinc/34/75/18/439347518.db2.gz LQOBSAXBPIHKPU-IRXDYDNUSA-N 1 1 348.491 0.438 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000491202896 439348568 /nfs/dbraw/zinc/34/85/68/439348568.db2.gz QUDZDCWSVZRMGJ-UHFFFAOYSA-N 1 1 343.383 0.815 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000491387231 439375894 /nfs/dbraw/zinc/37/58/94/439375894.db2.gz XRAOTJKDSSMGKO-IBGZPJMESA-N 1 1 327.428 0.906 20 30 ECEDMO C#CCNC(=O)C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000491392464 439374934 /nfs/dbraw/zinc/37/49/34/439374934.db2.gz CEYKFZRCRKIQLA-UHFFFAOYSA-N 1 1 330.413 0.717 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CC(=O)NCC)CC1 ZINC000491630916 439414520 /nfs/dbraw/zinc/41/45/20/439414520.db2.gz OPTVDYDSQWVNSO-INIZCTEOSA-N 1 1 334.464 0.145 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)CC1 ZINC000491670634 439424324 /nfs/dbraw/zinc/42/43/24/439424324.db2.gz ZFYHTOFQQLCVLI-LNLFQRSKSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)CC1 ZINC000491670634 439424330 /nfs/dbraw/zinc/42/43/30/439424330.db2.gz ZFYHTOFQQLCVLI-LNLFQRSKSA-N 1 1 349.475 0.422 20 30 ECEDMO C#CCN1C(=O)C[C@H](N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1=O ZINC000491723782 439434894 /nfs/dbraw/zinc/43/48/94/439434894.db2.gz DOXYNMTUTGEVDD-OKZBNKHCSA-N 1 1 337.423 0.953 20 30 ECEDMO C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1=O ZINC000491723782 439434898 /nfs/dbraw/zinc/43/48/98/439434898.db2.gz DOXYNMTUTGEVDD-OKZBNKHCSA-N 1 1 337.423 0.953 20 30 ECEDMO C#CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1=O ZINC000491723782 439434901 /nfs/dbraw/zinc/43/49/01/439434901.db2.gz DOXYNMTUTGEVDD-OKZBNKHCSA-N 1 1 337.423 0.953 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000491771054 439445700 /nfs/dbraw/zinc/44/57/00/439445700.db2.gz NSOQYNJCYHPDHV-UHFFFAOYSA-N 1 1 327.381 0.158 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000491770683 439446569 /nfs/dbraw/zinc/44/65/69/439446569.db2.gz NJDWXCDOHPAWMY-UHFFFAOYSA-N 1 1 340.431 0.740 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2(C#N)CC(C)C2)CC1=O ZINC000583496094 439470331 /nfs/dbraw/zinc/47/03/31/439470331.db2.gz BRFAWNMNCVDKAQ-XOYHFGRZSA-N 1 1 336.436 0.222 20 30 ECEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Cc1ccc(C#N)nc1 ZINC000599483592 439486640 /nfs/dbraw/zinc/48/66/40/439486640.db2.gz ZPWVFUVSMMKKTR-UHFFFAOYSA-N 1 1 329.448 0.980 20 30 ECEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(C#N)nc1 ZINC000599483592 439486644 /nfs/dbraw/zinc/48/66/44/439486644.db2.gz ZPWVFUVSMMKKTR-UHFFFAOYSA-N 1 1 329.448 0.980 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000530340173 439497774 /nfs/dbraw/zinc/49/77/74/439497774.db2.gz MIBBNZOKBOREOZ-WFASDCNBSA-N 1 1 348.447 0.289 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000599563745 439507890 /nfs/dbraw/zinc/50/78/90/439507890.db2.gz CXNVRMRCZGQCOW-MAUKXSAKSA-N 1 1 343.383 0.927 20 30 ECEDMO COC(=O)[C@@]1(OC)CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000599563745 439507896 /nfs/dbraw/zinc/50/78/96/439507896.db2.gz CXNVRMRCZGQCOW-MAUKXSAKSA-N 1 1 343.383 0.927 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000599570430 439508886 /nfs/dbraw/zinc/50/88/86/439508886.db2.gz XMSOWNJTQPPDTD-RCBQFDQVSA-N 1 1 325.409 0.693 20 30 ECEDMO COC(=O)[C@]1(OC)CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000599570430 439508889 /nfs/dbraw/zinc/50/88/89/439508889.db2.gz XMSOWNJTQPPDTD-RCBQFDQVSA-N 1 1 325.409 0.693 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C[C@H](C)O)C3CC3)CC2)o1 ZINC000594065450 439512627 /nfs/dbraw/zinc/51/26/27/439512627.db2.gz POYPIQUWTCQGBY-LBPRGKRZSA-N 1 1 347.419 0.349 20 30 ECEDMO CC1CC(C#N)(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000532069208 439516509 /nfs/dbraw/zinc/51/65/09/439516509.db2.gz AWGZVNMNPSNUME-UHFFFAOYSA-N 1 1 332.448 0.939 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000594484056 439569939 /nfs/dbraw/zinc/56/99/39/439569939.db2.gz QTKAXVIIEFKCIL-MCIONIFRSA-N 1 1 328.438 0.062 20 30 ECEDMO C[N@H+]1CCC[C@@H](N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)C1 ZINC000609672323 439582849 /nfs/dbraw/zinc/58/28/49/439582849.db2.gz AATGBKHXVGUATO-AEFFLSMTSA-N 1 1 333.480 0.507 20 30 ECEDMO COc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)c(F)cc1C#N ZINC000599953562 439585853 /nfs/dbraw/zinc/58/58/53/439585853.db2.gz UURRFIBKPSCFBF-UHFFFAOYSA-N 1 1 334.351 0.855 20 30 ECEDMO COc1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c(F)cc1C#N ZINC000599975382 439589339 /nfs/dbraw/zinc/58/93/39/439589339.db2.gz QWFZMKNEBXCPCZ-YGRLFVJLSA-N 1 1 346.362 0.807 20 30 ECEDMO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000610002924 439596693 /nfs/dbraw/zinc/59/66/93/439596693.db2.gz RFKMLNQBJUFDGW-GJZGRUSLSA-N 1 1 338.452 0.573 20 30 ECEDMO N#CCCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000600064631 439606740 /nfs/dbraw/zinc/60/67/40/439606740.db2.gz TZPLRKMZQBFOHQ-AWEZNQCLSA-N 1 1 344.419 0.868 20 30 ECEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600070534 439608287 /nfs/dbraw/zinc/60/82/87/439608287.db2.gz KONQYVLRUHOCGA-CYBMUJFWSA-N 1 1 346.387 0.078 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000610421413 439613390 /nfs/dbraw/zinc/61/33/90/439613390.db2.gz XGCACIUMSNNRPY-IRXDYDNUSA-N 1 1 346.406 0.865 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000610421413 439613394 /nfs/dbraw/zinc/61/33/94/439613394.db2.gz XGCACIUMSNNRPY-IRXDYDNUSA-N 1 1 346.406 0.865 20 30 ECEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522474 439702886 /nfs/dbraw/zinc/70/28/86/439702886.db2.gz BLHCCANPTINFAX-AWEZNQCLSA-N 1 1 343.431 0.591 20 30 ECEDMO Cc1onc(CC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1C#N ZINC000611528263 439703481 /nfs/dbraw/zinc/70/34/81/439703481.db2.gz BIBCRHQNPUNDNQ-ZDUSSCGKSA-N 1 1 331.420 0.682 20 30 ECEDMO Cc1onc(CC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C#N ZINC000611528263 439703485 /nfs/dbraw/zinc/70/34/85/439703485.db2.gz BIBCRHQNPUNDNQ-ZDUSSCGKSA-N 1 1 331.420 0.682 20 30 ECEDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@@H]1C ZINC000611100479 439673563 /nfs/dbraw/zinc/67/35/63/439673563.db2.gz GPLBHUSCSYBGKN-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C[C@@H]1C ZINC000611100479 439673564 /nfs/dbraw/zinc/67/35/64/439673564.db2.gz GPLBHUSCSYBGKN-ZDUSSCGKSA-N 1 1 332.408 0.596 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595215543 439674859 /nfs/dbraw/zinc/67/48/59/439674859.db2.gz OBXYQTYCRUAUGQ-MRXNPFEDSA-N 1 1 342.399 0.554 20 30 ECEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000611432351 439696606 /nfs/dbraw/zinc/69/66/06/439696606.db2.gz UVMLKVDVVVURBU-IKGGRYGDSA-N 1 1 325.453 0.709 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC[N@@H+]1CCO ZINC000614957866 439791134 /nfs/dbraw/zinc/79/11/34/439791134.db2.gz TXJOGGDFBHTTRX-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC[N@H+]1CCO ZINC000614957866 439791135 /nfs/dbraw/zinc/79/11/35/439791135.db2.gz TXJOGGDFBHTTRX-UHFFFAOYSA-N 1 1 348.378 0.551 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000658616846 440036854 /nfs/dbraw/zinc/03/68/54/440036854.db2.gz UVBSVGHKUPEGIB-CABCVRRESA-N 1 1 325.453 0.884 20 30 ECEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637116881 440170314 /nfs/dbraw/zinc/17/03/14/440170314.db2.gz DFPGEOGTLSXJJP-SOUVJXGZSA-N 1 1 338.452 0.607 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000648804005 440333158 /nfs/dbraw/zinc/33/31/58/440333158.db2.gz PJRDMZKFPRQSQS-SFHVURJKSA-N 1 1 341.415 0.831 20 30 ECEDMO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000644299455 440512268 /nfs/dbraw/zinc/51/22/68/440512268.db2.gz LRUNIBVSRWMFIA-ZBFHGGJFSA-N 1 1 349.456 0.927 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC000660598499 440688648 /nfs/dbraw/zinc/68/86/48/440688648.db2.gz ZRWMNPQGRTZROY-KBPBESRZSA-N 1 1 345.465 0.138 20 30 ECEDMO C=CC[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H](C)COC ZINC000639784450 440791042 /nfs/dbraw/zinc/79/10/42/440791042.db2.gz HEZVYGDBQJKAMN-CYBMUJFWSA-N 1 1 347.481 0.050 20 30 ECEDMO C=CC[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H](C)COC ZINC000639784450 440791044 /nfs/dbraw/zinc/79/10/44/440791044.db2.gz HEZVYGDBQJKAMN-CYBMUJFWSA-N 1 1 347.481 0.050 20 30 ECEDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000563726425 322341332 /nfs/dbraw/zinc/34/13/32/322341332.db2.gz NYENYANEABDIKA-UHFFFAOYSA-N 1 1 333.392 0.285 20 30 ECEDMO CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000564755200 322391706 /nfs/dbraw/zinc/39/17/06/322391706.db2.gz ROQJGASLPDFXQH-HNNXBMFYSA-N 1 1 334.445 0.895 20 30 ECEDMO CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000564755200 322391708 /nfs/dbraw/zinc/39/17/08/322391708.db2.gz ROQJGASLPDFXQH-HNNXBMFYSA-N 1 1 334.445 0.895 20 30 ECEDMO C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)S(C)(=O)=O ZINC000568976046 322639061 /nfs/dbraw/zinc/63/90/61/322639061.db2.gz QFTCULCHTPDWET-LLVKDONJSA-N 1 1 330.431 0.355 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078005395 782118743 /nfs/dbraw/zinc/11/87/43/782118743.db2.gz BZSMDDKGZMYODE-ZTFGCOKTSA-N 1 1 342.443 0.561 20 30 ECEDMO C[C@H](C(=O)NC[C@H]1CCCN1S(C)(=O)=O)[NH+]1CCSCC1 ZINC000328756902 546005995 /nfs/dbraw/zinc/00/59/95/546005995.db2.gz UNEJUUXNDOSYPE-VXGBXAGGSA-N 1 1 335.495 0.804 20 30 ECEDMO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCn2cncn2)CC1 ZINC000329124169 546014482 /nfs/dbraw/zinc/01/44/82/546014482.db2.gz SEBCPJHJKOMIBH-HZPDHXFCSA-N 1 1 349.483 0.683 20 30 ECEDMO C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000611582070 546039658 /nfs/dbraw/zinc/03/96/58/546039658.db2.gz BOZIQVVHYTTWJG-RISCZKNCSA-N 1 1 349.439 0.157 20 30 ECEDMO C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000611582070 546039664 /nfs/dbraw/zinc/03/96/64/546039664.db2.gz BOZIQVVHYTTWJG-RISCZKNCSA-N 1 1 349.439 0.157 20 30 ECEDMO C[C@H](C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1)n1cnc(C#N)n1 ZINC000619611614 546348261 /nfs/dbraw/zinc/34/82/61/546348261.db2.gz RWPSYPFOKUQFOO-KGLIPLIRSA-N 1 1 332.408 0.424 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000619708613 546359375 /nfs/dbraw/zinc/35/93/75/546359375.db2.gz DPSUPLVLEPXOJY-CABCVRRESA-N 1 1 344.481 0.509 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000619713981 546362626 /nfs/dbraw/zinc/36/26/26/546362626.db2.gz XDFHLUZAEJLBLN-ZDUSSCGKSA-N 1 1 332.470 0.101 20 30 ECEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000619713981 546362628 /nfs/dbraw/zinc/36/26/28/546362628.db2.gz XDFHLUZAEJLBLN-ZDUSSCGKSA-N 1 1 332.470 0.101 20 30 ECEDMO CC(C)[C@H](C#N)N1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000619780594 546368534 /nfs/dbraw/zinc/36/85/34/546368534.db2.gz UPNPBKVXWDNWOK-CABCVRRESA-N 1 1 328.482 0.434 20 30 ECEDMO C[C@@H]1OCC[C@@H]1[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCO ZINC000625386351 547086458 /nfs/dbraw/zinc/08/64/58/547086458.db2.gz BBGLUJXGQFPFOL-YOEHRIQHSA-N 1 1 342.395 0.758 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000625459690 547106993 /nfs/dbraw/zinc/10/69/93/547106993.db2.gz NRJUQEMJAKEQAD-UHFFFAOYSA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCn1c([C@H]2COCCO2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000669055391 547820496 /nfs/dbraw/zinc/82/04/96/547820496.db2.gz CCITWHHBJILFOH-LSDHHAIUSA-N 1 1 349.435 0.463 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672641408 548365534 /nfs/dbraw/zinc/36/55/34/548365534.db2.gz PYZTWMGPQSVANJ-OAHLLOKOSA-N 1 1 336.480 0.696 20 30 ECEDMO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672641408 548365538 /nfs/dbraw/zinc/36/55/38/548365538.db2.gz PYZTWMGPQSVANJ-OAHLLOKOSA-N 1 1 336.480 0.696 20 30 ECEDMO C=C(C)COCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675556876 548743774 /nfs/dbraw/zinc/74/37/74/548743774.db2.gz RQSCVCSHDDKWJJ-INIZCTEOSA-N 1 1 340.468 0.285 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685341752 549682948 /nfs/dbraw/zinc/68/29/48/549682948.db2.gz FXZDAEBWSZFFBM-HOCLYGCPSA-N 1 1 349.431 0.672 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341752 549682951 /nfs/dbraw/zinc/68/29/51/549682951.db2.gz FXZDAEBWSZFFBM-HOCLYGCPSA-N 1 1 349.431 0.672 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685341748 549683369 /nfs/dbraw/zinc/68/33/69/549683369.db2.gz FXZDAEBWSZFFBM-GOEBONIOSA-N 1 1 349.431 0.672 20 30 ECEDMO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685341748 549683373 /nfs/dbraw/zinc/68/33/73/549683373.db2.gz FXZDAEBWSZFFBM-GOEBONIOSA-N 1 1 349.431 0.672 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C2)C1 ZINC001041772890 782172005 /nfs/dbraw/zinc/17/20/05/782172005.db2.gz SGEGNULJXJFYJS-SFHVURJKSA-N 1 1 348.447 0.817 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2O)nc1 ZINC001078030325 782174623 /nfs/dbraw/zinc/17/46/23/782174623.db2.gz SYYSXDONTJXUBQ-DJIMGWMZSA-N 1 1 329.400 0.407 20 30 ECEDMO COC(=O)[C@H](c1ccc(C#N)cc1)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000751480589 579369673 /nfs/dbraw/zinc/36/96/73/579369673.db2.gz KQOLSUYJLQZRBW-IRXDYDNUSA-N 1 1 347.415 0.397 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000754195184 579414350 /nfs/dbraw/zinc/41/43/50/579414350.db2.gz KZDZPNYEUNGXKV-CQSZACIVSA-N 1 1 349.456 0.764 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000754195184 579414351 /nfs/dbraw/zinc/41/43/51/579414351.db2.gz KZDZPNYEUNGXKV-CQSZACIVSA-N 1 1 349.456 0.764 20 30 ECEDMO N#Cc1cc(S(N)(=O)=O)ccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000754787723 579423722 /nfs/dbraw/zinc/42/37/22/579423722.db2.gz ZOOUBOWPTJQFFV-ZDUSSCGKSA-N 1 1 336.417 0.117 20 30 ECEDMO N#Cc1c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cccc1S(N)(=O)=O ZINC000754990604 579427348 /nfs/dbraw/zinc/42/73/48/579427348.db2.gz NYBSTQHUQMSYMJ-RYUDHWBXSA-N 1 1 336.417 0.481 20 30 ECEDMO Cc1csc(C=NNC(=S)NCCC[NH+]2CCOCC2)n1 ZINC000755520818 579434641 /nfs/dbraw/zinc/43/46/41/579434641.db2.gz HPUDPAYCIXOOBV-UHFFFAOYSA-N 1 1 327.479 0.972 20 30 ECEDMO N#Cc1ccc(N2CCC(NC(=O)CC[NH+]3CCOCC3)CC2)nc1 ZINC000727411024 578158535 /nfs/dbraw/zinc/15/85/35/578158535.db2.gz NPZPZWIVYRHDAB-UHFFFAOYSA-N 1 1 343.431 0.761 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(OCCO)c(OC)c1 ZINC000730278972 578304542 /nfs/dbraw/zinc/30/45/42/578304542.db2.gz RIFLPQLNRGVDHV-HNNXBMFYSA-N 1 1 332.400 0.780 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(OCCO)c(OC)c1 ZINC000730278972 578304543 /nfs/dbraw/zinc/30/45/43/578304543.db2.gz RIFLPQLNRGVDHV-HNNXBMFYSA-N 1 1 332.400 0.780 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC000730285919 578304737 /nfs/dbraw/zinc/30/47/37/578304737.db2.gz ORQYSADAZABOSJ-HNNXBMFYSA-N 1 1 343.431 0.540 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC000730285919 578304738 /nfs/dbraw/zinc/30/47/38/578304738.db2.gz ORQYSADAZABOSJ-HNNXBMFYSA-N 1 1 343.431 0.540 20 30 ECEDMO CC[N@@H+](CCNC(=O)NCCNC(=O)C1N=CC=CC1=O)C(C)C ZINC000732458559 578325694 /nfs/dbraw/zinc/32/56/94/578325694.db2.gz JRHCWBIBANDADM-PFONDFGASA-N 1 1 337.424 0.542 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732558938 578327376 /nfs/dbraw/zinc/32/73/76/578327376.db2.gz FCWLRZUIDQENIA-MSOLQXFVSA-N 1 1 332.492 0.711 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)CCNC(=O)OC(C)(C)C)C1=O ZINC000794528244 578592407 /nfs/dbraw/zinc/59/24/07/578592407.db2.gz DBZHJWOCGCIOPV-UONOGXRCSA-N 1 1 341.452 0.981 20 30 ECEDMO COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C[C@@H]21 ZINC000794970901 578602217 /nfs/dbraw/zinc/60/22/17/578602217.db2.gz HRWBNISEBWRNHN-SIXLDLHFSA-N 1 1 330.384 0.843 20 30 ECEDMO C(=NNCCC[NH+]1CCOCC1)c1cnc(C2OCCO2)s1 ZINC000799490246 578666215 /nfs/dbraw/zinc/66/62/15/578666215.db2.gz WDPWAIGOCOHOLU-UHFFFAOYSA-N 1 1 326.422 0.834 20 30 ECEDMO O=C1N=C(N=NC2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)NC1=O ZINC000781127278 578705465 /nfs/dbraw/zinc/70/54/65/578705465.db2.gz HNJHIRUIGOUITP-ZIAGYGMSSA-N 1 1 339.399 0.877 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000782768326 578733305 /nfs/dbraw/zinc/73/33/05/578733305.db2.gz OHWJAFPTZKQKGI-UHFFFAOYSA-N 1 1 345.399 0.476 20 30 ECEDMO C#CCOc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000782768326 578733307 /nfs/dbraw/zinc/73/33/07/578733307.db2.gz OHWJAFPTZKQKGI-UHFFFAOYSA-N 1 1 345.399 0.476 20 30 ECEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000790972496 578885226 /nfs/dbraw/zinc/88/52/26/578885226.db2.gz CPCHSYBZXXRDPR-ZDUSSCGKSA-N 1 1 332.408 0.582 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000768073736 579121358 /nfs/dbraw/zinc/12/13/58/579121358.db2.gz YAYODGLUVKKTEP-CVEARBPZSA-N 1 1 329.448 0.911 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000768073736 579121359 /nfs/dbraw/zinc/12/13/59/579121359.db2.gz YAYODGLUVKKTEP-CVEARBPZSA-N 1 1 329.448 0.911 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCCC3(CC3)C2)c1=O ZINC000769797311 579152063 /nfs/dbraw/zinc/15/20/63/579152063.db2.gz CPLXXOKWYFWJBK-UHFFFAOYSA-N 1 1 332.404 0.377 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCCC3(CC3)C2)c1=O ZINC000769797311 579152064 /nfs/dbraw/zinc/15/20/64/579152064.db2.gz CPLXXOKWYFWJBK-UHFFFAOYSA-N 1 1 332.404 0.377 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000770954545 579181121 /nfs/dbraw/zinc/18/11/21/579181121.db2.gz LVDOCJBHNLNUFK-ZDUSSCGKSA-N 1 1 329.466 0.118 20 30 ECEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000771658395 579192912 /nfs/dbraw/zinc/19/29/12/579192912.db2.gz SISNSUVTRFPXJB-PBHICJAKSA-N 1 1 330.432 0.734 20 30 ECEDMO C#C[C@H]([NH2+][C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 ZINC000775789969 579271229 /nfs/dbraw/zinc/27/12/29/579271229.db2.gz NRYURULPQUIVJH-CBBWQLFWSA-N 1 1 342.461 0.181 20 30 ECEDMO C#C[C@@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000775806487 579271777 /nfs/dbraw/zinc/27/17/77/579271777.db2.gz LUIRVPISZIRSMN-KGLIPLIRSA-N 1 1 337.401 0.043 20 30 ECEDMO C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000776067560 579274584 /nfs/dbraw/zinc/27/45/84/579274584.db2.gz BQSNBRNOPQAKOD-UHFFFAOYSA-N 1 1 328.372 0.906 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000778950953 579312754 /nfs/dbraw/zinc/31/27/54/579312754.db2.gz MEDFACNFCMCYMF-UHFFFAOYSA-N 1 1 339.436 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)Cc1ccc(OC)c(O)c1 ZINC000762557142 579544218 /nfs/dbraw/zinc/54/42/18/579544218.db2.gz ZFWKQEIIFZQTHI-HOTGVXAUSA-N 1 1 346.427 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)Cc1ccc(OC)c(O)c1 ZINC000762557142 579544219 /nfs/dbraw/zinc/54/42/19/579544219.db2.gz ZFWKQEIIFZQTHI-HOTGVXAUSA-N 1 1 346.427 0.766 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000763702547 579564137 /nfs/dbraw/zinc/56/41/37/579564137.db2.gz YQAKFUQLFJPQMD-QWHCGFSZSA-N 1 1 327.388 0.954 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000763702547 579564138 /nfs/dbraw/zinc/56/41/38/579564138.db2.gz YQAKFUQLFJPQMD-QWHCGFSZSA-N 1 1 327.388 0.954 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000739949199 579723607 /nfs/dbraw/zinc/72/36/07/579723607.db2.gz MYBVKGINCKERMD-STQMWFEESA-N 1 1 339.392 0.839 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000739949199 579723609 /nfs/dbraw/zinc/72/36/09/579723609.db2.gz MYBVKGINCKERMD-STQMWFEESA-N 1 1 339.392 0.839 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+](CCC(=O)OC)C1CCOCC1 ZINC000743871618 579803065 /nfs/dbraw/zinc/80/30/65/579803065.db2.gz MFJVLDNVIDNIKH-UHFFFAOYSA-N 1 1 327.381 0.042 20 30 ECEDMO C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H](C)[N@H+]1CCO ZINC000836866535 588936981 /nfs/dbraw/zinc/93/69/81/588936981.db2.gz ZHUOPDXRZKTDLV-OKILXGFUSA-N 1 1 330.384 0.680 20 30 ECEDMO C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H](C)[N@@H+]1CCO ZINC000836866535 588936982 /nfs/dbraw/zinc/93/69/82/588936982.db2.gz ZHUOPDXRZKTDLV-OKILXGFUSA-N 1 1 330.384 0.680 20 30 ECEDMO C#CC[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C(=O)OC ZINC000837944859 588966817 /nfs/dbraw/zinc/96/68/17/588966817.db2.gz FWOFFHZDLWUQOR-IAGOWNOFSA-N 1 1 344.411 0.866 20 30 ECEDMO C[C@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)c2ncnn21 ZINC000841606968 588996200 /nfs/dbraw/zinc/99/62/00/588996200.db2.gz ABOPHRSBNFTHGM-NSHDSACASA-N 1 1 337.453 0.133 20 30 ECEDMO C#C[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000890649281 586056887 /nfs/dbraw/zinc/05/68/87/586056887.db2.gz BUJJFLSRBLRGES-IAGOWNOFSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC000895056358 586158668 /nfs/dbraw/zinc/15/86/68/586158668.db2.gz IBGITVZBRCPGBX-OAHLLOKOSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC000895056358 586158669 /nfs/dbraw/zinc/15/86/69/586158669.db2.gz IBGITVZBRCPGBX-OAHLLOKOSA-N 1 1 341.477 0.550 20 30 ECEDMO N#Cc1ccc2ncc(C[NH+]3CCC(O)(COCCO)CC3)n2c1 ZINC000895827579 586206220 /nfs/dbraw/zinc/20/62/20/586206220.db2.gz OUDMXPUPGAXFEX-UHFFFAOYSA-N 1 1 330.388 0.542 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000895915946 586212861 /nfs/dbraw/zinc/21/28/61/586212861.db2.gz PWXINTISHPGYLD-HNNXBMFYSA-N 1 1 349.456 0.638 20 30 ECEDMO C#CC1(O)CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000894438420 586393893 /nfs/dbraw/zinc/39/38/93/586393893.db2.gz SBMPIICGIGBBKE-QGZVFWFLSA-N 1 1 343.427 0.667 20 30 ECEDMO C[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1(C)C ZINC000898098586 586402575 /nfs/dbraw/zinc/40/25/75/586402575.db2.gz AEGWJNPYQWRODR-UHFFFAOYSA-N 1 1 328.416 0.921 20 30 ECEDMO C[N@H+]1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1(C)C ZINC000898098586 586402578 /nfs/dbraw/zinc/40/25/78/586402578.db2.gz AEGWJNPYQWRODR-UHFFFAOYSA-N 1 1 328.416 0.921 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000900528043 586640261 /nfs/dbraw/zinc/64/02/61/586640261.db2.gz DGOTUTNAOFNGGW-CRAIPNDOSA-N 1 1 343.431 0.493 20 30 ECEDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccsc1C#N ZINC000903499096 586778343 /nfs/dbraw/zinc/77/83/43/586778343.db2.gz KKHNUDYTOKHVTR-SECBINFHSA-N 1 1 329.403 0.145 20 30 ECEDMO N#Cc1ccc(N2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cn1 ZINC000903781891 586814565 /nfs/dbraw/zinc/81/45/65/586814565.db2.gz WVSAVSGLSDBKQD-QZTJIDSGSA-N 1 1 327.432 0.844 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cnc3n2CCOC3)cc1 ZINC000905699303 586912530 /nfs/dbraw/zinc/91/25/30/586912530.db2.gz AYEHOFMVPSNREC-UHFFFAOYSA-N 1 1 346.412 0.848 20 30 ECEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905890094 586920052 /nfs/dbraw/zinc/92/00/52/586920052.db2.gz QNXAAKBEPSQOPU-GUDVDZBRSA-N 1 1 345.443 0.771 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccncc1 ZINC000805810574 586940135 /nfs/dbraw/zinc/94/01/35/586940135.db2.gz GKDIMSZBSKTWEK-HOTGVXAUSA-N 1 1 345.447 0.177 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccncc1 ZINC000805815653 586940695 /nfs/dbraw/zinc/94/06/95/586940695.db2.gz SCRWLLFVILDWLQ-BPUTZDHNSA-N 1 1 346.431 0.650 20 30 ECEDMO C=CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccncc1 ZINC000805815653 586940697 /nfs/dbraw/zinc/94/06/97/586940697.db2.gz SCRWLLFVILDWLQ-BPUTZDHNSA-N 1 1 346.431 0.650 20 30 ECEDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC[N@H+]1C ZINC000806042012 586954408 /nfs/dbraw/zinc/95/44/08/586954408.db2.gz NHHKQPMJJBSTHV-JSGCOSHPSA-N 1 1 344.419 0.080 20 30 ECEDMO C[C@H](C#N)OCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000801915378 587006070 /nfs/dbraw/zinc/00/60/70/587006070.db2.gz RBMHBMHUZSTHOC-CYBMUJFWSA-N 1 1 338.433 0.385 20 30 ECEDMO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)cn3)[C@H]2C1 ZINC000907210000 587022890 /nfs/dbraw/zinc/02/28/90/587022890.db2.gz KUAFALZJFZKESJ-UONOGXRCSA-N 1 1 336.417 0.437 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)cn3)[C@H]2C1 ZINC000907210000 587022892 /nfs/dbraw/zinc/02/28/92/587022892.db2.gz KUAFALZJFZKESJ-UONOGXRCSA-N 1 1 336.417 0.437 20 30 ECEDMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000907383904 587039330 /nfs/dbraw/zinc/03/93/30/587039330.db2.gz SELFAYAYOZKMAZ-SFHVURJKSA-N 1 1 343.431 0.449 20 30 ECEDMO C[C@@H](OC(=O)CCCC[NH+]1CCOCC1)C(=O)N(C)CCC#N ZINC000803512020 587062714 /nfs/dbraw/zinc/06/27/14/587062714.db2.gz KBQLPGGMUWWFKP-CQSZACIVSA-N 1 1 325.409 0.793 20 30 ECEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000804218989 587081778 /nfs/dbraw/zinc/08/17/78/587081778.db2.gz OAYVAHAMPBIROY-CYBMUJFWSA-N 1 1 346.435 0.328 20 30 ECEDMO C=CCN1CCN(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)C1=O ZINC000840048679 587086459 /nfs/dbraw/zinc/08/64/59/587086459.db2.gz DEMDNJICAAKVKE-NSHDSACASA-N 1 1 334.342 0.868 20 30 ECEDMO C#CCNc1nc(NCC2(CO)CC2)nc(NCC2(CO)CC2)[nH+]1 ZINC000804531828 587086818 /nfs/dbraw/zinc/08/68/18/587086818.db2.gz GNVABQZJASPXKJ-UHFFFAOYSA-N 1 1 332.408 0.286 20 30 ECEDMO C#C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(C)(C)C ZINC000808282114 587151984 /nfs/dbraw/zinc/15/19/84/587151984.db2.gz WQAAJWKEXWNEMR-HZPDHXFCSA-N 1 1 336.480 0.740 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCCO1 ZINC000808836047 587162020 /nfs/dbraw/zinc/16/20/20/587162020.db2.gz YGJGECHDXKSPHL-IKGGRYGDSA-N 1 1 349.475 0.768 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1CCCO1 ZINC000809314184 587175483 /nfs/dbraw/zinc/17/54/83/587175483.db2.gz ZGSKUUGCRLDCQF-HRCADAONSA-N 1 1 333.432 0.417 20 30 ECEDMO C=C[C@@H](O)C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000814542834 587276624 /nfs/dbraw/zinc/27/66/24/587276624.db2.gz BAJXXBLTAQDQOV-MRXNPFEDSA-N 1 1 332.400 0.729 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000819550405 587482354 /nfs/dbraw/zinc/48/23/54/587482354.db2.gz ZGNXZXVPNFWGRP-KBPBESRZSA-N 1 1 339.436 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000819550405 587482355 /nfs/dbraw/zinc/48/23/55/587482355.db2.gz ZGNXZXVPNFWGRP-KBPBESRZSA-N 1 1 339.436 0.428 20 30 ECEDMO CC[NH+]1CCN(C(=O)CNC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000820282206 587523622 /nfs/dbraw/zinc/52/36/22/587523622.db2.gz KNJHJINCDCESNL-UHFFFAOYSA-N 1 1 344.415 0.412 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000820687839 587550040 /nfs/dbraw/zinc/55/00/40/587550040.db2.gz BUIUNPVGGYRGDU-LBPRGKRZSA-N 1 1 333.354 0.859 20 30 ECEDMO C#CCN1C(=O)C[C@@H](N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000821771852 587629987 /nfs/dbraw/zinc/62/99/87/587629987.db2.gz PBHSQXJEBGMFPD-QGZVFWFLSA-N 1 1 346.475 0.238 20 30 ECEDMO CN(C[C@@H](O)C[NH+]1CCN(CCC#N)CC1)C(=O)OC(C)(C)C ZINC000822785325 587680245 /nfs/dbraw/zinc/68/02/45/587680245.db2.gz NPGRENYBJIITIJ-CQSZACIVSA-N 1 1 326.441 0.745 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000823048864 587699455 /nfs/dbraw/zinc/69/94/55/587699455.db2.gz HBPVFDSLFITKOT-KGLIPLIRSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CCN(C(=O)N[C@@H]1CC[N@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000823048864 587699457 /nfs/dbraw/zinc/69/94/57/587699457.db2.gz HBPVFDSLFITKOT-KGLIPLIRSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CCC[NH+]1CCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823844612 587745546 /nfs/dbraw/zinc/74/55/46/587745546.db2.gz DAZADYJJTIZFNC-HNNXBMFYSA-N 1 1 339.403 0.034 20 30 ECEDMO C#C[C@@H](C)N(C)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1CCOC ZINC000828999938 588214463 /nfs/dbraw/zinc/21/44/63/588214463.db2.gz JNKBORYFWJXOND-KFWWJZLASA-N 1 1 333.436 0.918 20 30 ECEDMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000829974976 588351288 /nfs/dbraw/zinc/35/12/88/588351288.db2.gz MXGPECCZYQANKF-CZUORRHYSA-N 1 1 338.408 0.026 20 30 ECEDMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000829974976 588351290 /nfs/dbraw/zinc/35/12/90/588351290.db2.gz MXGPECCZYQANKF-CZUORRHYSA-N 1 1 338.408 0.026 20 30 ECEDMO C=C(C)CONC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000844285373 589106103 /nfs/dbraw/zinc/10/61/03/589106103.db2.gz UHHUHZZAFHQMAC-UHFFFAOYSA-N 1 1 334.424 0.796 20 30 ECEDMO C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372194 589109289 /nfs/dbraw/zinc/10/92/89/589109289.db2.gz WPLBPYYZUGFQPZ-OAHLLOKOSA-N 1 1 347.415 0.981 20 30 ECEDMO C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372194 589109291 /nfs/dbraw/zinc/10/92/91/589109291.db2.gz WPLBPYYZUGFQPZ-OAHLLOKOSA-N 1 1 347.415 0.981 20 30 ECEDMO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000844968173 589127177 /nfs/dbraw/zinc/12/71/77/589127177.db2.gz NJVURXLXVQBYEO-SJORKVTESA-N 1 1 345.447 0.479 20 30 ECEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1 ZINC000848679254 589306381 /nfs/dbraw/zinc/30/63/81/589306381.db2.gz SQBCACWDFRRWKY-AWEZNQCLSA-N 1 1 349.412 0.905 20 30 ECEDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000850359427 589364897 /nfs/dbraw/zinc/36/48/97/589364897.db2.gz HSSMIQXMQLRPMK-HOTGVXAUSA-N 1 1 337.445 0.938 20 30 ECEDMO C#CCOCCN1CC[N@@H+](CCOCC#C)C[C@@H]1c1cnn(C)c1 ZINC000851923145 589432724 /nfs/dbraw/zinc/43/27/24/589432724.db2.gz PGDADFKMPIFAPD-GOSISDBHSA-N 1 1 330.432 0.378 20 30 ECEDMO C#CCOCCN1CC[N@H+](CCOCC#C)C[C@@H]1c1cnn(C)c1 ZINC000851923145 589432725 /nfs/dbraw/zinc/43/27/25/589432725.db2.gz PGDADFKMPIFAPD-GOSISDBHSA-N 1 1 330.432 0.378 20 30 ECEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852211336 589450807 /nfs/dbraw/zinc/45/08/07/589450807.db2.gz RRNTULJQOOEZLX-MJGOQNOKSA-N 1 1 339.395 0.897 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](CO)Cc2ccccc2)CC1 ZINC000852289628 589454212 /nfs/dbraw/zinc/45/42/12/589454212.db2.gz XPJIAPOTZLXERI-GOSISDBHSA-N 1 1 329.444 0.299 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+](C)[C@@H](CO)Cc2ccccc2)CC1 ZINC000852289628 589454214 /nfs/dbraw/zinc/45/42/14/589454214.db2.gz XPJIAPOTZLXERI-GOSISDBHSA-N 1 1 329.444 0.299 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000852432216 589495707 /nfs/dbraw/zinc/49/57/07/589495707.db2.gz JFXWHDLYIRWOQR-OAHLLOKOSA-N 1 1 328.372 0.701 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000852432216 589495709 /nfs/dbraw/zinc/49/57/09/589495709.db2.gz JFXWHDLYIRWOQR-OAHLLOKOSA-N 1 1 328.372 0.701 20 30 ECEDMO CN1CCN(c2cc(CNC(=O)C#CC3CC[NH2+]CC3)ccn2)CC1 ZINC000852873327 589521073 /nfs/dbraw/zinc/52/10/73/589521073.db2.gz RRKOIDNJENNAAT-UHFFFAOYSA-N 1 1 341.459 0.453 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2cc(OCC)nc(C)n2)CC1 ZINC000853325765 589540553 /nfs/dbraw/zinc/54/05/53/589540553.db2.gz MGDFYMQOPQCZEE-UHFFFAOYSA-N 1 1 331.420 0.445 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(OCC)nc(C)n2)CC1 ZINC000853325765 589540554 /nfs/dbraw/zinc/54/05/54/589540554.db2.gz MGDFYMQOPQCZEE-UHFFFAOYSA-N 1 1 331.420 0.445 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2nc3ncccc3cc2C#N)CC1 ZINC000853325789 589540557 /nfs/dbraw/zinc/54/05/57/589540557.db2.gz MKFNMXWOWRKBIQ-UHFFFAOYSA-N 1 1 348.410 0.763 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCCN(c2nc3ncccc3cc2C#N)CC1 ZINC000853325789 589540559 /nfs/dbraw/zinc/54/05/59/589540559.db2.gz MKFNMXWOWRKBIQ-UHFFFAOYSA-N 1 1 348.410 0.763 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000853877310 589562856 /nfs/dbraw/zinc/56/28/56/589562856.db2.gz UFGFBEUQYYFOOF-UONOGXRCSA-N 1 1 339.436 0.692 20 30 ECEDMO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000853877310 589562858 /nfs/dbraw/zinc/56/28/58/589562858.db2.gz UFGFBEUQYYFOOF-UONOGXRCSA-N 1 1 339.436 0.692 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000854105530 589571425 /nfs/dbraw/zinc/57/14/25/589571425.db2.gz CVZLJMSZXALTQY-UHFFFAOYSA-N 1 1 343.431 0.242 20 30 ECEDMO C#C[C@H](NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C1CCOCC1 ZINC000856119907 589654987 /nfs/dbraw/zinc/65/49/87/589654987.db2.gz XHQSFIRDVYNAFU-KSZLIROESA-N 1 1 344.459 1.000 20 30 ECEDMO C#CCCN(CCOC)C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000856388166 589662526 /nfs/dbraw/zinc/66/25/26/589662526.db2.gz MKCWYKRPDZZNQX-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[C@H](COC)NC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000858137867 589726571 /nfs/dbraw/zinc/72/65/71/589726571.db2.gz HTFOPLXJMVRBRY-OAHLLOKOSA-N 1 1 338.452 0.315 20 30 ECEDMO C#CCNc1nc(NC[C@H]2C[C@@H](O)C2)nc(NC[C@H]2C[C@@H](O)C2)[nH+]1 ZINC000858803593 589774960 /nfs/dbraw/zinc/77/49/60/589774960.db2.gz YSVHCRPNXHXCTG-KVVVAFMNSA-N 1 1 332.408 0.282 20 30 ECEDMO C#CC[C@@H](CCOC)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000859020904 589793564 /nfs/dbraw/zinc/79/35/64/589793564.db2.gz VLBMAUFNIFWMNE-CABCVRRESA-N 1 1 325.453 0.901 20 30 ECEDMO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1nnnn1C1CC1 ZINC000859276589 589815170 /nfs/dbraw/zinc/81/51/70/589815170.db2.gz ITWUDMFWRBJAQE-RISCZKNCSA-N 1 1 328.376 0.970 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867798733 589844900 /nfs/dbraw/zinc/84/49/00/589844900.db2.gz GLUVDJPVFIFALE-KGLIPLIRSA-N 1 1 325.478 0.965 20 30 ECEDMO CN1CC[NH+](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000867817681 589849567 /nfs/dbraw/zinc/84/95/67/589849567.db2.gz NOKQEHCKUSTANU-UHFFFAOYSA-N 1 1 348.472 0.959 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnc(OC)c(OC)c1 ZINC000861872490 589900555 /nfs/dbraw/zinc/90/05/55/589900555.db2.gz RLZMRMBRZHVSLY-UHFFFAOYSA-N 1 1 334.376 0.109 20 30 ECEDMO C#CCN(CC(=O)NCC[N@H+]1CC[C@H](O)C1)C(=O)OC(C)(C)C ZINC000863834321 590042639 /nfs/dbraw/zinc/04/26/39/590042639.db2.gz HDGLPIRLZRQJDQ-ZDUSSCGKSA-N 1 1 325.409 0.040 20 30 ECEDMO COC(=O)CCN(CC#N)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000871347379 590060979 /nfs/dbraw/zinc/06/09/79/590060979.db2.gz BQSAPYUWBDMEKP-CABCVRRESA-N 1 1 347.419 0.371 20 30 ECEDMO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]1CCC(=O)N(CC2CCC2)C1 ZINC000871773662 590086809 /nfs/dbraw/zinc/08/68/09/590086809.db2.gz ZGGLVBPEHMKHQZ-TZMCWYRMSA-N 1 1 334.420 0.661 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1F ZINC000872616453 590133118 /nfs/dbraw/zinc/13/31/18/590133118.db2.gz DWWNJYBMIIYRNW-QWHCGFSZSA-N 1 1 339.392 0.527 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000873502229 590191236 /nfs/dbraw/zinc/19/12/36/590191236.db2.gz RDOWEKSVHWDZKI-WOPDTQHZSA-N 1 1 332.322 0.942 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000873502218 590191294 /nfs/dbraw/zinc/19/12/94/590191294.db2.gz RDOWEKSVHWDZKI-GRYCIOLGSA-N 1 1 332.322 0.942 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)nn1CCC#N ZINC000874175560 590224599 /nfs/dbraw/zinc/22/45/99/590224599.db2.gz XBMKBOZTJQEZJC-UONOGXRCSA-N 1 1 344.419 0.596 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000875059659 590266244 /nfs/dbraw/zinc/26/62/44/590266244.db2.gz YIOANQKFDVFRAH-UONOGXRCSA-N 1 1 337.445 0.622 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000875915562 590345852 /nfs/dbraw/zinc/34/58/52/590345852.db2.gz ZISXSFJMUSGGDS-UONOGXRCSA-N 1 1 325.409 0.161 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000875923584 590346820 /nfs/dbraw/zinc/34/68/20/590346820.db2.gz JEAVKMDSMJZBKS-HKUYNNGSSA-N 1 1 345.443 0.961 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000880478356 590395084 /nfs/dbraw/zinc/39/50/84/590395084.db2.gz BSKQYZPBAMGQMF-HNNXBMFYSA-N 1 1 335.448 0.354 20 30 ECEDMO C=CCN(CC=C)C(=O)Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000880985105 590429028 /nfs/dbraw/zinc/42/90/28/590429028.db2.gz IPDJFUZOMCFWGH-UHFFFAOYSA-N 1 1 333.436 0.744 20 30 ECEDMO Cn1nnnc1CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000878020497 590492873 /nfs/dbraw/zinc/49/28/73/590492873.db2.gz LWUQGXOGMZYALG-UHFFFAOYSA-N 1 1 348.414 0.995 20 30 ECEDMO C#CCNC(=O)CN1CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000878050595 590494582 /nfs/dbraw/zinc/49/45/82/590494582.db2.gz YNUNPKFISCTTIH-UHFFFAOYSA-N 1 1 327.428 0.626 20 30 ECEDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2cc(C#N)nc(C)n2)CC1=O ZINC000882477984 590552590 /nfs/dbraw/zinc/55/25/90/590552590.db2.gz XVXYZRNXWHWMEI-AWEZNQCLSA-N 1 1 332.408 0.248 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)c1 ZINC000882481175 590553198 /nfs/dbraw/zinc/55/31/98/590553198.db2.gz QBWYDROMEMFARV-AWEZNQCLSA-N 1 1 335.429 0.422 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000882633019 590565676 /nfs/dbraw/zinc/56/56/76/590565676.db2.gz YYPKUJGELOOVOM-GOSISDBHSA-N 1 1 342.443 0.589 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)o1 ZINC000882635774 590566774 /nfs/dbraw/zinc/56/67/74/590566774.db2.gz KRVDJEATYUODLU-AWEZNQCLSA-N 1 1 332.404 0.678 20 30 ECEDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000883893261 590678401 /nfs/dbraw/zinc/67/84/01/590678401.db2.gz HYRNAUJBYXVFEJ-OAHLLOKOSA-N 1 1 328.420 0.879 20 30 ECEDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885124232 590685307 /nfs/dbraw/zinc/68/53/07/590685307.db2.gz XBNQXGLUKNACMQ-UHFFFAOYSA-N 1 1 325.434 0.999 20 30 ECEDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885124232 590685309 /nfs/dbraw/zinc/68/53/09/590685309.db2.gz XBNQXGLUKNACMQ-UHFFFAOYSA-N 1 1 325.434 0.999 20 30 ECEDMO C[C@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000885318133 590716160 /nfs/dbraw/zinc/71/61/60/590716160.db2.gz HTELHKNDELNROP-SGPHBRAGSA-N 1 1 339.461 0.644 20 30 ECEDMO C[C@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000885318133 590716163 /nfs/dbraw/zinc/71/61/63/590716163.db2.gz HTELHKNDELNROP-SGPHBRAGSA-N 1 1 339.461 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCNC(=O)c2ccccc2)C1 ZINC000884047387 590717693 /nfs/dbraw/zinc/71/76/93/590717693.db2.gz QOGHEMYRWNLLCM-INIZCTEOSA-N 1 1 328.416 0.813 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCNC(=O)c2ccccc2)C1 ZINC000884047387 590717697 /nfs/dbraw/zinc/71/76/97/590717697.db2.gz QOGHEMYRWNLLCM-INIZCTEOSA-N 1 1 328.416 0.813 20 30 ECEDMO COCCC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000886064777 590788888 /nfs/dbraw/zinc/78/88/88/590788888.db2.gz IITZLSHQRJNZSJ-GJZGRUSLSA-N 1 1 344.477 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000884255918 590789620 /nfs/dbraw/zinc/78/96/20/590789620.db2.gz PRFTTZABALAXCF-KKUMJFAQSA-N 1 1 336.436 0.019 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000884255918 590789625 /nfs/dbraw/zinc/78/96/25/590789625.db2.gz PRFTTZABALAXCF-KKUMJFAQSA-N 1 1 336.436 0.019 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886091996 590794704 /nfs/dbraw/zinc/79/47/04/590794704.db2.gz LQRCHAXYLYBJID-OAHLLOKOSA-N 1 1 341.477 0.421 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000884306224 590800769 /nfs/dbraw/zinc/80/07/69/590800769.db2.gz YOUSCDANUKPPEN-JKSUJKDBSA-N 1 1 331.416 0.948 20 30 ECEDMO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000884306224 590800773 /nfs/dbraw/zinc/80/07/73/590800773.db2.gz YOUSCDANUKPPEN-JKSUJKDBSA-N 1 1 331.416 0.948 20 30 ECEDMO CN(C)S(=O)(=O)N1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886211219 590815466 /nfs/dbraw/zinc/81/54/66/590815466.db2.gz LIMFGRGWJBQNAQ-AWEZNQCLSA-N 1 1 344.481 0.245 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC000886212510 590816014 /nfs/dbraw/zinc/81/60/14/590816014.db2.gz YDYQKXVKKFIGEW-IIAWOOMASA-N 1 1 339.461 0.505 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000886355864 590834497 /nfs/dbraw/zinc/83/44/97/590834497.db2.gz OVDBGVQFCWKWIJ-INIZCTEOSA-N 1 1 327.432 0.861 20 30 ECEDMO COC(=O)c1cc2n(n1)CCCC2=NNCCC[NH+]1CCOCC1 ZINC000884461383 590834583 /nfs/dbraw/zinc/83/45/83/590834583.db2.gz CWQAVWIRTLFXRP-UHFFFAOYSA-N 1 1 335.408 0.480 20 30 ECEDMO C#CCN(C(=O)CC1(CS(C)(=O)=O)CC1)C1CC[NH+](C)CC1 ZINC000886581262 590861957 /nfs/dbraw/zinc/86/19/57/590861957.db2.gz PTKQPEFLYQCTLC-UHFFFAOYSA-N 1 1 326.462 0.757 20 30 ECEDMO C#CCC1(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCOCC1 ZINC000888966641 591005070 /nfs/dbraw/zinc/00/50/70/591005070.db2.gz DHRUISDUQDOHOJ-UHFFFAOYSA-N 1 1 336.480 0.884 20 30 ECEDMO N#Cc1cccc(OCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000889774445 591092696 /nfs/dbraw/zinc/09/26/96/591092696.db2.gz OUVAWXFYXLOOQI-DLBZAZTESA-N 1 1 329.400 0.995 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(N3CN=NC3=O)CC2)C1 ZINC000890362216 591150297 /nfs/dbraw/zinc/15/02/97/591150297.db2.gz AGNCORPNFIOVFU-CYBMUJFWSA-N 1 1 332.408 0.428 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(N3CN=NC3=O)CC2)C1 ZINC000890362216 591150299 /nfs/dbraw/zinc/15/02/99/591150299.db2.gz AGNCORPNFIOVFU-CYBMUJFWSA-N 1 1 332.408 0.428 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)C1 ZINC000890365854 591151589 /nfs/dbraw/zinc/15/15/89/591151589.db2.gz ZUVDLFMGANIEFL-IXDOHACOSA-N 1 1 349.475 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)C1 ZINC000890365854 591151593 /nfs/dbraw/zinc/15/15/93/591151593.db2.gz ZUVDLFMGANIEFL-IXDOHACOSA-N 1 1 349.475 0.951 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(CCOC(C)C)CC2)C1 ZINC000890371467 591154933 /nfs/dbraw/zinc/15/49/33/591154933.db2.gz WATCKZLOYBWNSP-KRWDZBQOSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(CCOC(C)C)CC2)C1 ZINC000890371467 591154936 /nfs/dbraw/zinc/15/49/36/591154936.db2.gz WATCKZLOYBWNSP-KRWDZBQOSA-N 1 1 336.480 0.836 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)NCc1cn(C)nc1Br ZINC000922628897 611356370 /nfs/dbraw/zinc/35/63/70/611356370.db2.gz HLQJYZXENYBSPF-UHFFFAOYSA-N 1 1 342.241 0.937 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCO[C@H]1c1nccn1CC ZINC000922627528 611356633 /nfs/dbraw/zinc/35/66/33/611356633.db2.gz NKJYCMHDRQDLAY-HUUCEWRRSA-N 1 1 333.436 0.987 20 30 ECEDMO C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890143688 611364131 /nfs/dbraw/zinc/36/41/31/611364131.db2.gz XLCBCDHTQPFIDL-HOTGVXAUSA-N 1 1 337.468 0.584 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642412 611383571 /nfs/dbraw/zinc/38/35/71/611383571.db2.gz IJPOQRAQOCZHDB-ZJPYXAASSA-N 1 1 333.476 0.899 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000930119243 611392195 /nfs/dbraw/zinc/39/21/95/611392195.db2.gz PJZBHQZBJXYSSM-OAHLLOKOSA-N 1 1 341.477 0.563 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2n[nH]cc2C)CC1 ZINC000946685084 611413273 /nfs/dbraw/zinc/41/32/73/611413273.db2.gz BNVFTVPOURFVPD-HNNXBMFYSA-N 1 1 343.431 0.537 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2n[nH]cc2C)CC1 ZINC000946685084 611413275 /nfs/dbraw/zinc/41/32/75/611413275.db2.gz BNVFTVPOURFVPD-HNNXBMFYSA-N 1 1 343.431 0.537 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)CC[C@@H]2C1 ZINC000946709955 611429235 /nfs/dbraw/zinc/42/92/35/611429235.db2.gz DAABPIULLSGHOX-IYBDPMFKSA-N 1 1 334.464 0.165 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C)[C@H]1CCCO1 ZINC000930468348 611430419 /nfs/dbraw/zinc/43/04/19/611430419.db2.gz YXSLAIGBFDVFRP-OWCLPIDISA-N 1 1 335.448 0.472 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C)[C@H]1CCCO1 ZINC000930468348 611430421 /nfs/dbraw/zinc/43/04/21/611430421.db2.gz YXSLAIGBFDVFRP-OWCLPIDISA-N 1 1 335.448 0.472 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCCNc1ccc(C)c[nH+]1)[C@@H]1CCCO1 ZINC000930469533 611430851 /nfs/dbraw/zinc/43/08/51/611430851.db2.gz IFIHWYMYAQAFFP-KBPBESRZSA-N 1 1 330.388 0.215 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)CC[C@@H]2C1 ZINC000946746927 611448921 /nfs/dbraw/zinc/44/89/21/611448921.db2.gz KAEURQVSDUDJTJ-FRRDWIJNSA-N 1 1 326.828 0.591 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000946794017 611482751 /nfs/dbraw/zinc/48/27/51/611482751.db2.gz WKWJPRGIOKJVQD-HNNXBMFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930991685 611494355 /nfs/dbraw/zinc/49/43/55/611494355.db2.gz GNGMSFLXZPSEGG-KBPBESRZSA-N 1 1 341.477 0.391 20 30 ECEDMO C=CCOCCCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930991685 611494356 /nfs/dbraw/zinc/49/43/56/611494356.db2.gz GNGMSFLXZPSEGG-KBPBESRZSA-N 1 1 341.477 0.391 20 30 ECEDMO C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000931053276 611502102 /nfs/dbraw/zinc/50/21/02/611502102.db2.gz UATBDDUGGPZZAK-HUUCEWRRSA-N 1 1 337.464 0.763 20 30 ECEDMO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000948316200 611517810 /nfs/dbraw/zinc/51/78/10/611517810.db2.gz LGGSRJJCUVBFOG-CABCVRRESA-N 1 1 329.404 0.701 20 30 ECEDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@]1(C#N)CCCOC1)C2 ZINC000926195289 611524672 /nfs/dbraw/zinc/52/46/72/611524672.db2.gz WOPZFJYGSWHBLX-YONAWACDSA-N 1 1 335.448 0.903 20 30 ECEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1 ZINC000931382346 611534576 /nfs/dbraw/zinc/53/45/76/611534576.db2.gz JMOWGBPUBYYZPE-KDURUIRLSA-N 1 1 339.395 0.981 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931820091 611572407 /nfs/dbraw/zinc/57/24/07/611572407.db2.gz LDQJBELWDZXZQB-UONOGXRCSA-N 1 1 341.477 0.343 20 30 ECEDMO C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000931820091 611572411 /nfs/dbraw/zinc/57/24/11/611572411.db2.gz LDQJBELWDZXZQB-UONOGXRCSA-N 1 1 341.477 0.343 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C[C@H]1C ZINC000947523917 611579900 /nfs/dbraw/zinc/57/99/00/611579900.db2.gz KZNBPMCKVZSPKK-HIFRSBDPSA-N 1 1 329.400 0.767 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C[C@H]1C ZINC000947548390 611591644 /nfs/dbraw/zinc/59/16/44/611591644.db2.gz ZCMKNEDDTHNOLC-CABCVRRESA-N 1 1 341.477 0.404 20 30 ECEDMO N#CCCN1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927631503 611621135 /nfs/dbraw/zinc/62/11/35/611621135.db2.gz TWFJQTBWJQJAMP-INIZCTEOSA-N 1 1 335.452 0.481 20 30 ECEDMO C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000924038239 608611896 /nfs/dbraw/zinc/61/18/96/608611896.db2.gz YXPLXSNXVNFTAT-NVXWUHKLSA-N 1 1 334.464 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)SC ZINC000936469720 608649179 /nfs/dbraw/zinc/64/91/79/608649179.db2.gz ORMTVYUBYKYFLR-AJNGGQMLSA-N 1 1 335.473 0.647 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)SC ZINC000936469720 608649175 /nfs/dbraw/zinc/64/91/75/608649175.db2.gz ORMTVYUBYKYFLR-AJNGGQMLSA-N 1 1 335.473 0.647 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC000949391801 608666310 /nfs/dbraw/zinc/66/63/10/608666310.db2.gz XTANSZCNALYJDG-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC000949391801 608666311 /nfs/dbraw/zinc/66/63/11/608666311.db2.gz XTANSZCNALYJDG-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnns1 ZINC000936503199 608683348 /nfs/dbraw/zinc/68/33/48/608683348.db2.gz YEHNKSRWHTZXAI-AVGNSLFASA-N 1 1 345.428 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnns1 ZINC000936503199 608683352 /nfs/dbraw/zinc/68/33/52/608683352.db2.gz YEHNKSRWHTZXAI-AVGNSLFASA-N 1 1 345.428 0.061 20 30 ECEDMO N#Cc1ccc(OCCC[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000933103245 608713792 /nfs/dbraw/zinc/71/37/92/608713792.db2.gz DERMMIULODCVQI-CQSZACIVSA-N 1 1 336.417 0.161 20 30 ECEDMO N#Cc1ccc(OCCC[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000933103245 608713795 /nfs/dbraw/zinc/71/37/95/608713795.db2.gz DERMMIULODCVQI-CQSZACIVSA-N 1 1 336.417 0.161 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CS(=O)(=O)C2)CC1 ZINC000948563041 611656001 /nfs/dbraw/zinc/65/60/01/611656001.db2.gz ZFNHJMXDBZHTDB-OAHLLOKOSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)CC2CS(=O)(=O)C2)CC1 ZINC000948563041 611656002 /nfs/dbraw/zinc/65/60/02/611656002.db2.gz ZFNHJMXDBZHTDB-OAHLLOKOSA-N 1 1 326.462 0.757 20 30 ECEDMO C=C(C)CC[NH+]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 ZINC000949564631 608763695 /nfs/dbraw/zinc/76/36/95/608763695.db2.gz SMUKNBLOMSIKLZ-UHFFFAOYSA-N 1 1 330.396 0.418 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC000947230054 608810989 /nfs/dbraw/zinc/81/09/89/608810989.db2.gz LNPCYXCWLBJWRG-HNNXBMFYSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC000947230054 608810991 /nfs/dbraw/zinc/81/09/91/608810991.db2.gz LNPCYXCWLBJWRG-HNNXBMFYSA-N 1 1 343.431 0.157 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C ZINC000947800413 608858460 /nfs/dbraw/zinc/85/84/60/608858460.db2.gz HOKPTLCRVRAPLL-CMPLNLGQSA-N 1 1 327.812 0.761 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C ZINC000947800413 608858462 /nfs/dbraw/zinc/85/84/62/608858462.db2.gz HOKPTLCRVRAPLL-CMPLNLGQSA-N 1 1 327.812 0.761 20 30 ECEDMO C#CCN1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000246415093 608883912 /nfs/dbraw/zinc/88/39/12/608883912.db2.gz LLIKOIXTJZZORK-DLBZAZTESA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C ZINC000947598733 608917543 /nfs/dbraw/zinc/91/75/43/608917543.db2.gz PAVREKGQJKDUKG-WCQYABFASA-N 1 1 344.423 0.853 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H](C)C2)c1 ZINC000947711433 608930967 /nfs/dbraw/zinc/93/09/67/608930967.db2.gz WFSVDILTHQIMGW-PBHICJAKSA-N 1 1 340.427 0.878 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937061226 608936999 /nfs/dbraw/zinc/93/69/99/608936999.db2.gz HTFOCQIRXVYMJX-HIFRSBDPSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CCN1CCNC1=O ZINC000947216760 608953874 /nfs/dbraw/zinc/95/38/74/608953874.db2.gz HQYIMGYVQHNUBA-CHWSQXEVSA-N 1 1 344.419 0.494 20 30 ECEDMO C[NH+]1CCN([C@H](CNC(=O)NCC#CCO)c2cccs2)CC1 ZINC000923788328 608971580 /nfs/dbraw/zinc/97/15/80/608971580.db2.gz JMINJTPFNHYKKZ-CQSZACIVSA-N 1 1 336.461 0.332 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC000936757571 609057275 /nfs/dbraw/zinc/05/72/75/609057275.db2.gz VUBPNFCTWCFLGZ-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC000936757571 609057279 /nfs/dbraw/zinc/05/72/79/609057279.db2.gz VUBPNFCTWCFLGZ-JSGCOSHPSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1cc[nH]n1 ZINC000937246903 609078537 /nfs/dbraw/zinc/07/85/37/609078537.db2.gz WTHYJOZXHCSJHY-HOCLYGCPSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1cc[nH]n1 ZINC000937246903 609078539 /nfs/dbraw/zinc/07/85/39/609078539.db2.gz WTHYJOZXHCSJHY-HOCLYGCPSA-N 1 1 343.431 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ocnc2C)C1 ZINC000937790106 609087693 /nfs/dbraw/zinc/08/76/93/609087693.db2.gz JBJFDTAADINCBF-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ocnc2C)C1 ZINC000937790106 609087695 /nfs/dbraw/zinc/08/76/95/609087695.db2.gz JBJFDTAADINCBF-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000928455729 611690018 /nfs/dbraw/zinc/69/00/18/611690018.db2.gz UIMNZZCZSTXEPX-IUODEOHRSA-N 1 1 335.429 0.421 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncs2)C[C@H]1C ZINC000947786154 611690130 /nfs/dbraw/zinc/69/01/30/611690130.db2.gz FPIPOYXYIAEYBK-MCIONIFRSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncs2)C[C@H]1C ZINC000947786154 611690132 /nfs/dbraw/zinc/69/01/32/611690132.db2.gz FPIPOYXYIAEYBK-MCIONIFRSA-N 1 1 346.456 0.817 20 30 ECEDMO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000928453349 611690584 /nfs/dbraw/zinc/69/05/84/611690584.db2.gz JXOFXRPDNUCQEA-IUODEOHRSA-N 1 1 337.445 0.973 20 30 ECEDMO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1 ZINC000928458732 611690843 /nfs/dbraw/zinc/69/08/43/611690843.db2.gz XWCNQWVVKUUIPF-WFASDCNBSA-N 1 1 337.445 0.973 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000937979801 609433181 /nfs/dbraw/zinc/43/31/81/609433181.db2.gz XABYSLSWYCKRDC-HOCLYGCPSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC000938170413 609482070 /nfs/dbraw/zinc/48/20/70/609482070.db2.gz HHAZYZFVPUFYBB-HOTGVXAUSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC000938170413 609482073 /nfs/dbraw/zinc/48/20/73/609482073.db2.gz HHAZYZFVPUFYBB-HOTGVXAUSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=C(C)OCCC2)C1 ZINC000938170862 609482493 /nfs/dbraw/zinc/48/24/93/609482493.db2.gz QLOGVPSNDSQENX-RDJZCZTQSA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=C(C)OCCC2)C1 ZINC000938170862 609482495 /nfs/dbraw/zinc/48/24/95/609482495.db2.gz QLOGVPSNDSQENX-RDJZCZTQSA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC000938170990 609482631 /nfs/dbraw/zinc/48/26/31/609482631.db2.gz RXIGDKLMMNQRJX-TXPKVOOTSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC000938170990 609482634 /nfs/dbraw/zinc/48/26/34/609482634.db2.gz RXIGDKLMMNQRJX-TXPKVOOTSA-N 1 1 347.459 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 ZINC000938172402 609484837 /nfs/dbraw/zinc/48/48/37/609484837.db2.gz XCRQOVOUGLOAQY-JYJNAYRXSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 ZINC000938172402 609484840 /nfs/dbraw/zinc/48/48/40/609484840.db2.gz XCRQOVOUGLOAQY-JYJNAYRXSA-N 1 1 343.431 0.259 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000938172590 609485779 /nfs/dbraw/zinc/48/57/79/609485779.db2.gz YAYZLYPJNZRXAD-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000938172590 609485783 /nfs/dbraw/zinc/48/57/83/609485783.db2.gz YAYZLYPJNZRXAD-KBPBESRZSA-N 1 1 330.388 0.411 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000938227076 609552379 /nfs/dbraw/zinc/55/23/79/609552379.db2.gz ZDRIUGLMEQOMOI-ZFWWWQNUSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C[C@H]1C ZINC000947811229 611701316 /nfs/dbraw/zinc/70/13/16/611701316.db2.gz XUIZGOMCPIFHMR-CHWSQXEVSA-N 1 1 327.388 0.547 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)C[C@]2(O)CCC[N@@H+](C)C2)n1 ZINC000907838268 609625205 /nfs/dbraw/zinc/62/52/05/609625205.db2.gz IHMOTTUTYTXNCE-GOSISDBHSA-N 1 1 348.447 0.338 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000907851772 609626150 /nfs/dbraw/zinc/62/61/50/609626150.db2.gz CDFSUGWGGDRBDC-RDJZCZTQSA-N 1 1 329.404 0.057 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000908013360 609636691 /nfs/dbraw/zinc/63/66/91/609636691.db2.gz BGKCEMDHPKNHMG-GJZGRUSLSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1cncc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000908013360 609636693 /nfs/dbraw/zinc/63/66/93/609636693.db2.gz BGKCEMDHPKNHMG-GJZGRUSLSA-N 1 1 336.417 0.173 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000908000603 609640071 /nfs/dbraw/zinc/64/00/71/609640071.db2.gz HIUKRGTXIOWIFU-IAGOWNOFSA-N 1 1 349.456 0.919 20 30 ECEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913552312 609693341 /nfs/dbraw/zinc/69/33/41/609693341.db2.gz KYBFSPQNTKTRQF-HNNXBMFYSA-N 1 1 347.415 0.861 20 30 ECEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913552312 609693343 /nfs/dbraw/zinc/69/33/43/609693343.db2.gz KYBFSPQNTKTRQF-HNNXBMFYSA-N 1 1 347.415 0.861 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC000947324703 609706661 /nfs/dbraw/zinc/70/66/61/609706661.db2.gz USBMUKZGJQVVTL-GHMZBOCLSA-N 1 1 340.815 0.099 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC000947324703 609706663 /nfs/dbraw/zinc/70/66/63/609706663.db2.gz USBMUKZGJQVVTL-GHMZBOCLSA-N 1 1 340.815 0.099 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C ZINC000948071439 609721791 /nfs/dbraw/zinc/72/17/91/609721791.db2.gz YCBCNRMJPURCER-QWRGUYRKSA-N 1 1 340.815 0.099 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C ZINC000948071439 609721793 /nfs/dbraw/zinc/72/17/93/609721793.db2.gz YCBCNRMJPURCER-QWRGUYRKSA-N 1 1 340.815 0.099 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C[C@@H]1C ZINC000947761871 609734438 /nfs/dbraw/zinc/73/44/38/609734438.db2.gz RHWJPVHGQORCNY-DZGCQCFKSA-N 1 1 326.462 0.804 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)c1 ZINC000938291170 609758304 /nfs/dbraw/zinc/75/83/04/609758304.db2.gz NJFAFEMQBAGXKM-INIZCTEOSA-N 1 1 337.383 0.599 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC000938424960 609787146 /nfs/dbraw/zinc/78/71/46/609787146.db2.gz ZARPDFLTGYPQNQ-PASDCYSWSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC000938424960 609787148 /nfs/dbraw/zinc/78/71/48/609787148.db2.gz ZARPDFLTGYPQNQ-PASDCYSWSA-N 1 1 329.444 0.991 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 ZINC000912297022 609944989 /nfs/dbraw/zinc/94/49/89/609944989.db2.gz WUXQBWBJVISPNA-FHLIZLRMSA-N 1 1 328.416 0.920 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC000938756860 609982856 /nfs/dbraw/zinc/98/28/56/609982856.db2.gz ZLLGVSFZLWVVPD-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC000938756860 609982857 /nfs/dbraw/zinc/98/28/57/609982857.db2.gz ZLLGVSFZLWVVPD-ZBFHGGJFSA-N 1 1 343.431 0.489 20 30 ECEDMO N#CCn1c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc2ccccc21 ZINC000913188409 610048876 /nfs/dbraw/zinc/04/88/76/610048876.db2.gz IFFMHSDULZQOJZ-QGZVFWFLSA-N 1 1 328.372 0.246 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3CC)C2)c1 ZINC000939106581 610083338 /nfs/dbraw/zinc/08/33/38/610083338.db2.gz CWARZVXRSCBOKT-CZUORRHYSA-N 1 1 338.415 0.925 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000939756868 610122895 /nfs/dbraw/zinc/12/28/95/610122895.db2.gz ATWUKVXIGOTIPW-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncccn3)C2)nn1 ZINC000939290980 610148441 /nfs/dbraw/zinc/14/84/41/610148441.db2.gz AFWWIGPCBSLHKS-ZIAGYGMSSA-N 1 1 341.419 0.895 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)nn1 ZINC000939292510 610149181 /nfs/dbraw/zinc/14/91/81/610149181.db2.gz LLQAKIVDFYKHER-WCQYABFASA-N 1 1 344.423 0.531 20 30 ECEDMO C=C(Br)CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069425155 610159613 /nfs/dbraw/zinc/15/96/13/610159613.db2.gz JXYHIIGGOQDDCY-UHFFFAOYSA-N 1 1 347.257 0.747 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC000939462892 610207384 /nfs/dbraw/zinc/20/73/84/610207384.db2.gz KARUAONYMZAVTC-MCIONIFRSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC000939462892 610207385 /nfs/dbraw/zinc/20/73/85/610207385.db2.gz KARUAONYMZAVTC-MCIONIFRSA-N 1 1 346.456 0.817 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc(N(C)C)cn3)CC2)C1 ZINC000941410898 610301978 /nfs/dbraw/zinc/30/19/78/610301978.db2.gz QSRGOESGNMGFNN-UHFFFAOYSA-N 1 1 330.436 0.171 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941436998 610314528 /nfs/dbraw/zinc/31/45/28/610314528.db2.gz NQPAOCRMGIWZKK-MRXNPFEDSA-N 1 1 327.432 0.222 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3cn(C)nc3C)CC2)C1 ZINC000941438386 610315810 /nfs/dbraw/zinc/31/58/10/610315810.db2.gz UMXMYRBSSBVBJE-UHFFFAOYSA-N 1 1 329.448 0.123 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3COCCN3CC)CC2)C1 ZINC000941467995 610328512 /nfs/dbraw/zinc/32/85/12/610328512.db2.gz KRIHKPNYEZADDD-QGZVFWFLSA-N 1 1 336.480 0.112 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4nccn4C3)CC2)C1 ZINC000941465370 610334223 /nfs/dbraw/zinc/33/42/23/610334223.db2.gz OTVSNTMNVDLXNN-OAHLLOKOSA-N 1 1 329.448 0.460 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940685698 610335250 /nfs/dbraw/zinc/33/52/50/610335250.db2.gz GLBVZLQVYDJOHN-LSDHHAIUSA-N 1 1 343.431 0.995 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC000941484622 610337417 /nfs/dbraw/zinc/33/74/17/610337417.db2.gz DDEQGKWCAZCWSM-UHFFFAOYSA-N 1 1 329.448 0.123 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)C1 ZINC000941484424 610337552 /nfs/dbraw/zinc/33/75/52/610337552.db2.gz YDHZKVPCONTLIR-UHFFFAOYSA-N 1 1 331.420 0.294 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(CC)[nH]c(=O)c3)CC2)C1 ZINC000941490241 610340024 /nfs/dbraw/zinc/34/00/24/610340024.db2.gz WFZTUUAIHFQSCY-UHFFFAOYSA-N 1 1 330.432 0.978 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC000941499684 610344565 /nfs/dbraw/zinc/34/45/65/610344565.db2.gz ZLSFNMXUYQVGMK-OAHLLOKOSA-N 1 1 331.464 0.928 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000940755019 610357658 /nfs/dbraw/zinc/35/76/58/610357658.db2.gz GVRLAKSGCNIKPW-UXIGCNINSA-N 1 1 329.404 0.557 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC[N@H+]1C ZINC000940755397 610357795 /nfs/dbraw/zinc/35/77/95/610357795.db2.gz NNKKYUVIESAXFT-MRVWCRGKSA-N 1 1 329.404 0.557 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccn3nnnc23)C(C)(C)C1 ZINC000940773497 610365597 /nfs/dbraw/zinc/36/55/97/610365597.db2.gz DCEIMUKNIQXAIN-CQSZACIVSA-N 1 1 326.404 0.978 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000941578898 610391546 /nfs/dbraw/zinc/39/15/46/610391546.db2.gz WMNQFBVPDJAKGA-GOEBONIOSA-N 1 1 334.464 0.306 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC000941611094 610407831 /nfs/dbraw/zinc/40/78/31/610407831.db2.gz LKVHHKXXLIJJRN-UHFFFAOYSA-N 1 1 327.432 0.261 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)C(C)(C)C2)C1=O ZINC000940858400 610409455 /nfs/dbraw/zinc/40/94/55/610409455.db2.gz MJZHEIYSIQAMJZ-ZIAGYGMSSA-N 1 1 346.435 0.422 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000940858400 610409456 /nfs/dbraw/zinc/40/94/56/610409456.db2.gz MJZHEIYSIQAMJZ-ZIAGYGMSSA-N 1 1 346.435 0.422 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000940858400 610409457 /nfs/dbraw/zinc/40/94/57/610409457.db2.gz MJZHEIYSIQAMJZ-ZIAGYGMSSA-N 1 1 346.435 0.422 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000942358583 610417178 /nfs/dbraw/zinc/41/71/78/610417178.db2.gz UERJVBXFTRMVFH-RBSFLKMASA-N 1 1 335.448 0.779 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000942358583 610417180 /nfs/dbraw/zinc/41/71/80/610417180.db2.gz UERJVBXFTRMVFH-RBSFLKMASA-N 1 1 335.448 0.779 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnn(C)c3C(F)F)CC2)C1 ZINC000941634479 610420040 /nfs/dbraw/zinc/42/00/40/610420040.db2.gz HTOCUAOPJQGWSM-UHFFFAOYSA-N 1 1 339.390 0.986 20 30 ECEDMO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC000941636650 610422194 /nfs/dbraw/zinc/42/21/94/610422194.db2.gz RNSWZEDWTIHKJM-OAHLLOKOSA-N 1 1 343.475 0.919 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)C(C)(C)C1 ZINC000940896729 610423802 /nfs/dbraw/zinc/42/38/02/610423802.db2.gz XZBIJTQZDXGHSF-AWEZNQCLSA-N 1 1 326.404 0.827 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(CC)c[nH]c3=O)CC2)C1 ZINC000941620683 610425829 /nfs/dbraw/zinc/42/58/29/610425829.db2.gz KEPICWXWVUIWAM-UHFFFAOYSA-N 1 1 342.443 0.815 20 30 ECEDMO CC1(C)CN(CC#N)CC[C@@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000940907156 610428500 /nfs/dbraw/zinc/42/85/00/610428500.db2.gz ASKBOJAWCYLQTF-DIODGJHASA-N 1 1 332.448 0.590 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)C1 ZINC000941662017 610437500 /nfs/dbraw/zinc/43/75/00/610437500.db2.gz RCEOENWRGWVIIY-UHFFFAOYSA-N 1 1 329.448 0.421 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC000942432686 610457503 /nfs/dbraw/zinc/45/75/03/610457503.db2.gz OSIMJKQCTYLDLX-RHSMWYFYSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ncc[nH]2)CC1 ZINC000940971562 610473284 /nfs/dbraw/zinc/47/32/84/610473284.db2.gz UBTQFMONAFXQHE-AWEZNQCLSA-N 1 1 329.404 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ncc[nH]2)CC1 ZINC000940971562 610473286 /nfs/dbraw/zinc/47/32/86/610473286.db2.gz UBTQFMONAFXQHE-AWEZNQCLSA-N 1 1 329.404 0.182 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C(C)(C)C1 ZINC000941050215 610511632 /nfs/dbraw/zinc/51/16/32/610511632.db2.gz QDFPQDGSWYFJHA-HUUCEWRRSA-N 1 1 344.463 0.866 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H](C)C1 ZINC000942615295 610538734 /nfs/dbraw/zinc/53/87/34/610538734.db2.gz HGGXSRMYFWLFHZ-ZYHUDNBSSA-N 1 1 341.437 0.073 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941928093 610566872 /nfs/dbraw/zinc/56/68/72/610566872.db2.gz AYSQZTGXBAGAFW-SMDDNHRTSA-N 1 1 329.404 0.605 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N2CCCC2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929843 610567504 /nfs/dbraw/zinc/56/75/04/610567504.db2.gz PKKNLQPHJGCVSE-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929539 610567740 /nfs/dbraw/zinc/56/77/40/610567740.db2.gz NTECYKUFRLVKHR-OCCSQVGLSA-N 1 1 327.392 0.618 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931066 610568312 /nfs/dbraw/zinc/56/83/12/610568312.db2.gz WZPDLHNKENYKMM-GXTWGEPZSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941941481 610570994 /nfs/dbraw/zinc/57/09/94/610570994.db2.gz CTMFCHYKLGSLSX-LRDDRELGSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H](C)C1 ZINC000942720044 610584476 /nfs/dbraw/zinc/58/44/76/610584476.db2.gz HMNNLGAEZHBRKP-CABCVRRESA-N 1 1 344.459 0.987 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccsn2)C1 ZINC000941185023 610591228 /nfs/dbraw/zinc/59/12/28/610591228.db2.gz NCGMMOPJYVRGRB-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccsn2)C1 ZINC000941185023 610591231 /nfs/dbraw/zinc/59/12/31/610591231.db2.gz NCGMMOPJYVRGRB-OCCSQVGLSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C(C)(C)C1 ZINC000941217439 610601404 /nfs/dbraw/zinc/60/14/04/610601404.db2.gz OVZFPTLEGGBVCJ-ZDUSSCGKSA-N 1 1 326.404 0.517 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941225683 610609616 /nfs/dbraw/zinc/60/96/16/610609616.db2.gz HQXLMPFWOMSVMD-CHWSQXEVSA-N 1 1 329.466 0.471 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000941244896 610616150 /nfs/dbraw/zinc/61/61/50/610616150.db2.gz DUEIJLCLAZGPPI-HIFRSBDPSA-N 1 1 332.379 0.582 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000941244896 610616151 /nfs/dbraw/zinc/61/61/51/610616151.db2.gz DUEIJLCLAZGPPI-HIFRSBDPSA-N 1 1 332.379 0.582 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 ZINC000941245360 610616241 /nfs/dbraw/zinc/61/62/41/610616241.db2.gz NHOSUFSWYGVCOS-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 ZINC000941245360 610616243 /nfs/dbraw/zinc/61/62/43/610616243.db2.gz NHOSUFSWYGVCOS-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)n2cccc2)C1 ZINC000941238006 610621631 /nfs/dbraw/zinc/62/16/31/610621631.db2.gz PLPROLXPHPEUGM-BBWFWOEESA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)n2cccc2)C1 ZINC000941238006 610621633 /nfs/dbraw/zinc/62/16/33/610621633.db2.gz PLPROLXPHPEUGM-BBWFWOEESA-N 1 1 342.443 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000941238307 610622125 /nfs/dbraw/zinc/62/21/25/610622125.db2.gz YBMOIPOPKSVVBZ-ZACQAIPSSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000941238307 610622127 /nfs/dbraw/zinc/62/21/27/610622127.db2.gz YBMOIPOPKSVVBZ-ZACQAIPSSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cc(C)cn2)C1 ZINC000941238111 610622159 /nfs/dbraw/zinc/62/21/59/610622159.db2.gz UXDLNHWTZCHIAA-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cc(C)cn2)C1 ZINC000941238111 610622160 /nfs/dbraw/zinc/62/21/60/610622160.db2.gz UXDLNHWTZCHIAA-CVEARBPZSA-N 1 1 343.431 0.006 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000942035366 610623265 /nfs/dbraw/zinc/62/32/65/610623265.db2.gz OYSNKYBJAAJFFJ-QXSJWSMHSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H](C)C1 ZINC000942056840 610635675 /nfs/dbraw/zinc/63/56/75/610635675.db2.gz JFARCCDTDVKEEW-ZIAGYGMSSA-N 1 1 333.432 0.621 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)[C@@H](C)C1 ZINC000942096592 610647857 /nfs/dbraw/zinc/64/78/57/610647857.db2.gz UNGLHSVSEBWSCF-BBRMVZONSA-N 1 1 329.400 0.624 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 ZINC000942176773 610686536 /nfs/dbraw/zinc/68/65/36/610686536.db2.gz QHCPCRJNHVKBQN-HIFRSBDPSA-N 1 1 338.473 0.661 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000943165601 610734565 /nfs/dbraw/zinc/73/45/65/610734565.db2.gz OBWSPKCHXQOART-CABCVRRESA-N 1 1 343.431 0.949 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000943228970 610755400 /nfs/dbraw/zinc/75/54/00/610755400.db2.gz AFWUFWODACSMBZ-HIFRSBDPSA-N 1 1 348.447 0.490 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cnns2)CC1 ZINC000944769575 610774124 /nfs/dbraw/zinc/77/41/24/610774124.db2.gz SFNRPSQWSWYMLZ-ZDUSSCGKSA-N 1 1 347.444 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cnns2)CC1 ZINC000944769575 610774125 /nfs/dbraw/zinc/77/41/25/610774125.db2.gz SFNRPSQWSWYMLZ-ZDUSSCGKSA-N 1 1 347.444 0.357 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000944251584 610806983 /nfs/dbraw/zinc/80/69/83/610806983.db2.gz UTIWJKKESZDPPT-NWDGAFQWSA-N 1 1 333.392 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2cn[nH]n2)C1 ZINC000943336335 610807582 /nfs/dbraw/zinc/80/75/82/610807582.db2.gz KVKIAUQWYNXRGA-HIFRSBDPSA-N 1 1 344.419 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2cn[nH]n2)C1 ZINC000943336335 610807583 /nfs/dbraw/zinc/80/75/83/610807583.db2.gz KVKIAUQWYNXRGA-HIFRSBDPSA-N 1 1 344.419 0.013 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000944299078 610827157 /nfs/dbraw/zinc/82/71/57/610827157.db2.gz RGBUSNQNIZFZLY-CZUORRHYSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C[C@H]2C)cc1 ZINC000943464022 610851019 /nfs/dbraw/zinc/85/10/19/610851019.db2.gz CAQFESSODBEXIB-RHSMWYFYSA-N 1 1 343.427 0.885 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)C2CCC2)C1 ZINC000944440997 610866595 /nfs/dbraw/zinc/86/65/95/610866595.db2.gz KJXNXTDHXIOUBP-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)C2CCC2)C1 ZINC000944440997 610866598 /nfs/dbraw/zinc/86/65/98/610866598.db2.gz KJXNXTDHXIOUBP-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]2C)nn1 ZINC000943480944 610868274 /nfs/dbraw/zinc/86/82/74/610868274.db2.gz HFPZKUAWIDYTRP-TZMCWYRMSA-N 1 1 344.423 0.233 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C[C@H]2C)nn1 ZINC000943480944 610868276 /nfs/dbraw/zinc/86/82/76/610868276.db2.gz HFPZKUAWIDYTRP-TZMCWYRMSA-N 1 1 344.423 0.233 20 30 ECEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@@H](C)C1 ZINC000943519805 610882543 /nfs/dbraw/zinc/88/25/43/610882543.db2.gz ZAOJGXWFAGKIOD-JSGCOSHPSA-N 1 1 327.388 0.898 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@H](C)C1 ZINC000944531855 610951174 /nfs/dbraw/zinc/95/11/74/610951174.db2.gz KEEYDGRNCCXPEW-TZMCWYRMSA-N 1 1 326.404 0.896 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000944594628 611001824 /nfs/dbraw/zinc/00/18/24/611001824.db2.gz JJOVBLFGHXJLBK-SJORKVTESA-N 1 1 347.459 0.616 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)CC[N@H+]1C ZINC000944617455 611016941 /nfs/dbraw/zinc/01/69/41/611016941.db2.gz XWCAEGWWYUPWRQ-IXDOHACOSA-N 1 1 347.459 0.474 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC000943937777 611040614 /nfs/dbraw/zinc/04/06/14/611040614.db2.gz JUZOVFLWOQHAFP-UKRRQHHQSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C(C)=C\C)CCO1 ZINC000944644237 611049435 /nfs/dbraw/zinc/04/94/35/611049435.db2.gz BVXMMSHNVPOGDW-NPAYWXBFSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C(C)=C\C)CCO1 ZINC000944644237 611049436 /nfs/dbraw/zinc/04/94/36/611049436.db2.gz BVXMMSHNVPOGDW-NPAYWXBFSA-N 1 1 333.432 0.394 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC000943966100 611052805 /nfs/dbraw/zinc/05/28/05/611052805.db2.gz JQQBSBIXJQTSRX-TZMCWYRMSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CC=CC2)CCO1 ZINC000944645854 611055100 /nfs/dbraw/zinc/05/51/00/611055100.db2.gz CFBHUSQXJSNTOW-SJORKVTESA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CC=CC2)CCO1 ZINC000944645854 611055102 /nfs/dbraw/zinc/05/51/02/611055102.db2.gz CFBHUSQXJSNTOW-SJORKVTESA-N 1 1 345.443 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C=C2CCC2)CCO1 ZINC000944645973 611055333 /nfs/dbraw/zinc/05/53/33/611055333.db2.gz DUKAUJZRTXYNDI-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C=C2CCC2)CCO1 ZINC000944645973 611055336 /nfs/dbraw/zinc/05/53/36/611055336.db2.gz DUKAUJZRTXYNDI-SJORKVTESA-N 1 1 345.443 0.538 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC2CC2)CCO1 ZINC000944646565 611055771 /nfs/dbraw/zinc/05/57/71/611055771.db2.gz JHJATYCNJZXOLF-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC2CC2)CCO1 ZINC000944646565 611055773 /nfs/dbraw/zinc/05/57/73/611055773.db2.gz JHJATYCNJZXOLF-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)F)CCO1 ZINC000944647163 611056195 /nfs/dbraw/zinc/05/61/95/611056195.db2.gz MCWYISLXPFWMDP-KGLIPLIRSA-N 1 1 339.411 0.176 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)F)CCO1 ZINC000944647163 611056198 /nfs/dbraw/zinc/05/61/98/611056198.db2.gz MCWYISLXPFWMDP-KGLIPLIRSA-N 1 1 339.411 0.176 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 ZINC000944653109 611061251 /nfs/dbraw/zinc/06/12/51/611061251.db2.gz KYYCLCKQFLLSQO-CHWSQXEVSA-N 1 1 334.420 0.167 20 30 ECEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 ZINC000943986147 611069931 /nfs/dbraw/zinc/06/99/31/611069931.db2.gz CWCPOONWYDEQKN-OLZOCXBDSA-N 1 1 336.436 0.720 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC000944028219 611089110 /nfs/dbraw/zinc/08/91/10/611089110.db2.gz DZTUDWOPZBKKSX-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC000944026171 611093197 /nfs/dbraw/zinc/09/31/97/611093197.db2.gz AGRXUMTUEGDLMI-UONOGXRCSA-N 1 1 346.435 0.137 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC000944100866 611124242 /nfs/dbraw/zinc/12/42/42/611124242.db2.gz SWOHMGMHZMWJGZ-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC000944100866 611124243 /nfs/dbraw/zinc/12/42/43/611124243.db2.gz SWOHMGMHZMWJGZ-IKGGRYGDSA-N 1 1 347.459 0.760 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccncn1 ZINC000944100105 611131765 /nfs/dbraw/zinc/13/17/65/611131765.db2.gz MUWZRDOVFRORTJ-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccncn1 ZINC000944100105 611131767 /nfs/dbraw/zinc/13/17/67/611131767.db2.gz MUWZRDOVFRORTJ-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000946092263 611227486 /nfs/dbraw/zinc/22/74/86/611227486.db2.gz FWXRACJUEOXZTA-ZDUSSCGKSA-N 1 1 329.404 0.559 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)CC[C@@H]2C1 ZINC000946904918 611247877 /nfs/dbraw/zinc/24/78/77/611247877.db2.gz SXCPPVUOCPECQF-GASCZTMLSA-N 1 1 330.432 0.531 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CCCCCCS(N)(=O)=O)C1 ZINC000923560636 611261865 /nfs/dbraw/zinc/26/18/65/611261865.db2.gz ZQYSMTWZAPAOIU-CQSZACIVSA-N 1 1 329.466 0.439 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCCCCS(N)(=O)=O)C1 ZINC000923560636 611261867 /nfs/dbraw/zinc/26/18/67/611261867.db2.gz ZQYSMTWZAPAOIU-CQSZACIVSA-N 1 1 329.466 0.439 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)C1 ZINC000923560120 611261872 /nfs/dbraw/zinc/26/18/72/611261872.db2.gz NGHGJCHJZOMKQV-VQIMIIECSA-N 1 1 325.412 0.658 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)C1 ZINC000923560120 611261874 /nfs/dbraw/zinc/26/18/74/611261874.db2.gz NGHGJCHJZOMKQV-VQIMIIECSA-N 1 1 325.412 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)C1 ZINC000923560118 611261922 /nfs/dbraw/zinc/26/19/22/611261922.db2.gz NGHGJCHJZOMKQV-QFBILLFUSA-N 1 1 325.412 0.658 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)C1 ZINC000923560118 611261923 /nfs/dbraw/zinc/26/19/23/611261923.db2.gz NGHGJCHJZOMKQV-QFBILLFUSA-N 1 1 325.412 0.658 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)C1 ZINC000923571918 611265199 /nfs/dbraw/zinc/26/51/99/611265199.db2.gz TXZITOULWYJRGA-LSDHHAIUSA-N 1 1 341.477 0.260 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)C1 ZINC000923571918 611265200 /nfs/dbraw/zinc/26/52/00/611265200.db2.gz TXZITOULWYJRGA-LSDHHAIUSA-N 1 1 341.477 0.260 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000923590621 611270933 /nfs/dbraw/zinc/27/09/33/611270933.db2.gz YHZIEUJIVCVEPO-HUUCEWRRSA-N 1 1 329.400 0.842 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000923590621 611270935 /nfs/dbraw/zinc/27/09/35/611270935.db2.gz YHZIEUJIVCVEPO-HUUCEWRRSA-N 1 1 329.400 0.842 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C[C@H]1C ZINC000947924442 611280604 /nfs/dbraw/zinc/28/06/04/611280604.db2.gz DEKDUQMTYQSGCE-MNOVXSKESA-N 1 1 334.376 0.502 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CCc2ccncc2)CC1 ZINC000825099859 611285545 /nfs/dbraw/zinc/28/55/45/611285545.db2.gz KBIVUVIGONYSPA-SFHVURJKSA-N 1 1 326.444 0.866 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCc2ccncc2)CC1 ZINC000825099859 611285547 /nfs/dbraw/zinc/28/55/47/611285547.db2.gz KBIVUVIGONYSPA-SFHVURJKSA-N 1 1 326.444 0.866 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]2CC1 ZINC000946514782 611294921 /nfs/dbraw/zinc/29/49/21/611294921.db2.gz OKNYPVGPUFYPRL-NXOAAHMSSA-N 1 1 345.447 0.574 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000834698976 611297343 /nfs/dbraw/zinc/29/73/43/611297343.db2.gz SWFJPIFQICATSJ-HOTGVXAUSA-N 1 1 335.448 0.475 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000842032971 611311879 /nfs/dbraw/zinc/31/18/79/611311879.db2.gz LMEUUPNGHGDVKV-SFHVURJKSA-N 1 1 348.406 0.852 20 30 ECEDMO C#CC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(CCC(=O)OC)C2=O)C1 ZINC000842629760 611317913 /nfs/dbraw/zinc/31/79/13/611317913.db2.gz RBMSDZKTJKRAHG-DYVFJYSZSA-N 1 1 335.404 0.943 20 30 ECEDMO CS(=O)(=O)Nc1ccc(N2CC[NH+](C[C@H](O)CC#N)CC2)cc1 ZINC000930157053 611322616 /nfs/dbraw/zinc/32/26/16/611322616.db2.gz BFIKMEMTHKSCMB-OAHLLOKOSA-N 1 1 338.433 0.455 20 30 ECEDMO C#CCN(C1CCN(C)CC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000922021676 611331383 /nfs/dbraw/zinc/33/13/83/611331383.db2.gz BUMAARLCKFCTQO-UHFFFAOYSA-N 1 1 327.494 0.832 20 30 ECEDMO N#Cc1ccncc1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922345455 611347568 /nfs/dbraw/zinc/34/75/68/611347568.db2.gz PSHRZCKCDBRXLC-INIZCTEOSA-N 1 1 343.431 0.480 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)n1 ZINC000922450175 611351155 /nfs/dbraw/zinc/35/11/55/611351155.db2.gz RQRKNWYQIBMZNJ-VXGBXAGGSA-N 1 1 335.437 0.029 20 30 ECEDMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630098 611736541 /nfs/dbraw/zinc/73/65/41/611736541.db2.gz WAGLIUSUEUOTGZ-INIZCTEOSA-N 1 1 345.399 0.953 20 30 ECEDMO COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630098 611736542 /nfs/dbraw/zinc/73/65/42/611736542.db2.gz WAGLIUSUEUOTGZ-INIZCTEOSA-N 1 1 345.399 0.953 20 30 ECEDMO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630733 611736578 /nfs/dbraw/zinc/73/65/78/611736578.db2.gz ZNVGJCXYRFYDHA-OAHLLOKOSA-N 1 1 331.372 0.611 20 30 ECEDMO COC(=O)CNC(=O)CC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630733 611736579 /nfs/dbraw/zinc/73/65/79/611736579.db2.gz ZNVGJCXYRFYDHA-OAHLLOKOSA-N 1 1 331.372 0.611 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000933736765 611745623 /nfs/dbraw/zinc/74/56/23/611745623.db2.gz IEADHASZWOOFFD-JENIJYKNSA-N 1 1 347.507 0.562 20 30 ECEDMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000929379000 611749180 /nfs/dbraw/zinc/74/91/80/611749180.db2.gz GXNMEFXVQTYOBM-QAPCUYQASA-N 1 1 326.400 0.585 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)[C@H](C)C1 ZINC000947943197 611750439 /nfs/dbraw/zinc/75/04/39/611750439.db2.gz JDNZQSOEXQDEGQ-ZIAGYGMSSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)[C@H](C)C1 ZINC000947943197 611750442 /nfs/dbraw/zinc/75/04/42/611750442.db2.gz JDNZQSOEXQDEGQ-ZIAGYGMSSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cncs1 ZINC000948994142 611792927 /nfs/dbraw/zinc/79/29/27/611792927.db2.gz SMXQSVSDJQRJKX-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cncs1 ZINC000948994142 611792929 /nfs/dbraw/zinc/79/29/29/611792929.db2.gz SMXQSVSDJQRJKX-OLZOCXBDSA-N 1 1 332.429 0.571 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929822395 611797403 /nfs/dbraw/zinc/79/74/03/611797403.db2.gz ALQONDRRIKPRAB-HGTKMLMNSA-N 1 1 329.404 0.663 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929822395 611797405 /nfs/dbraw/zinc/79/74/05/611797405.db2.gz ALQONDRRIKPRAB-HGTKMLMNSA-N 1 1 329.404 0.663 20 30 ECEDMO C#C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000934514180 611805756 /nfs/dbraw/zinc/80/57/56/611805756.db2.gz NRABGFFYEMXXIW-OAHLLOKOSA-N 1 1 329.400 0.655 20 30 ECEDMO C#C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000934514180 611805758 /nfs/dbraw/zinc/80/57/58/611805758.db2.gz NRABGFFYEMXXIW-OAHLLOKOSA-N 1 1 329.400 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC000949047783 611827669 /nfs/dbraw/zinc/82/76/69/611827669.db2.gz SBKXWLTXSYUJFP-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC000949047783 611827672 /nfs/dbraw/zinc/82/76/72/611827672.db2.gz SBKXWLTXSYUJFP-KGLIPLIRSA-N 1 1 346.456 0.880 20 30 ECEDMO COc1c[nH]c(C(=O)N2CCOC3(CC[NH+](CC#N)CC3)C2)cc1=O ZINC000949142327 611872487 /nfs/dbraw/zinc/87/24/87/611872487.db2.gz WXOPADLXYXEGBF-UHFFFAOYSA-N 1 1 346.387 0.214 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCNC1=O)CCO2 ZINC000949153837 611878904 /nfs/dbraw/zinc/87/89/04/611878904.db2.gz IJQXGIHATHWVBA-CYBMUJFWSA-N 1 1 341.839 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccncc1 ZINC000950754760 611890023 /nfs/dbraw/zinc/89/00/23/611890023.db2.gz YCZWIEPGUZKSPJ-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccncc1 ZINC000950754760 611890024 /nfs/dbraw/zinc/89/00/24/611890024.db2.gz YCZWIEPGUZKSPJ-HOTGVXAUSA-N 1 1 326.400 0.510 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1onc(C)c1C ZINC000950755784 611891359 /nfs/dbraw/zinc/89/13/59/611891359.db2.gz UJKRSLVKHTTZGM-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1onc(C)c1C ZINC000950755784 611891360 /nfs/dbraw/zinc/89/13/60/611891360.db2.gz UJKRSLVKHTTZGM-GJZGRUSLSA-N 1 1 344.415 0.720 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1(C(F)F)CC1 ZINC000950755953 611891907 /nfs/dbraw/zinc/89/19/07/611891907.db2.gz YMTUSWFDFBEQTQ-OLZOCXBDSA-N 1 1 339.386 0.846 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1(C(F)F)CC1 ZINC000950755953 611891908 /nfs/dbraw/zinc/89/19/08/611891908.db2.gz YMTUSWFDFBEQTQ-OLZOCXBDSA-N 1 1 339.386 0.846 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950764108 611896131 /nfs/dbraw/zinc/89/61/31/611896131.db2.gz IVSMEMDQEZZDCV-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 ZINC000950764108 611896132 /nfs/dbraw/zinc/89/61/32/611896132.db2.gz IVSMEMDQEZZDCV-HOTGVXAUSA-N 1 1 333.432 0.228 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000949213931 611902758 /nfs/dbraw/zinc/90/27/58/611902758.db2.gz LPXWTTJPAAYACY-IAQYHMDHSA-N 1 1 340.387 0.668 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 ZINC000949326476 611939943 /nfs/dbraw/zinc/93/99/43/611939943.db2.gz VHNDVUXQMFGSCN-INIZCTEOSA-N 1 1 335.448 0.034 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000950272180 611943928 /nfs/dbraw/zinc/94/39/28/611943928.db2.gz YVKIXJMNMQOBIH-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000950272180 611943929 /nfs/dbraw/zinc/94/39/29/611943929.db2.gz YVKIXJMNMQOBIH-GJZGRUSLSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC000949346683 611947286 /nfs/dbraw/zinc/94/72/86/611947286.db2.gz QVSCSZLSZONVFD-UHFFFAOYSA-N 1 1 335.448 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000950862956 611951680 /nfs/dbraw/zinc/95/16/80/611951680.db2.gz ODZOEHJGHBNALJ-JKSUJKDBSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000950863237 611952087 /nfs/dbraw/zinc/95/20/87/611952087.db2.gz SGKGASIJMCOGID-DOTOQJQBSA-N 1 1 340.427 0.735 20 30 ECEDMO C=CCN1CCOC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370146 611954728 /nfs/dbraw/zinc/95/47/28/611954728.db2.gz LHXSSIARBPWJPK-IRXDYDNUSA-N 1 1 349.475 0.729 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC000949379269 611957561 /nfs/dbraw/zinc/95/75/61/611957561.db2.gz VONMFYQBEDKGHB-HNNXBMFYSA-N 1 1 335.448 0.734 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)CC3CS(=O)(=O)C3)CC2)C1 ZINC000949401921 611965994 /nfs/dbraw/zinc/96/59/94/611965994.db2.gz QAFYQSFNARFLHG-UHFFFAOYSA-N 1 1 342.461 0.301 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)CC3CS(=O)(=O)C3)CC2)C1 ZINC000949401921 611965996 /nfs/dbraw/zinc/96/59/96/611965996.db2.gz QAFYQSFNARFLHG-UHFFFAOYSA-N 1 1 342.461 0.301 20 30 ECEDMO CC#CCN1CCOC2(CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000949412537 611970020 /nfs/dbraw/zinc/97/00/20/611970020.db2.gz YEPLGGDHKVTTME-UHFFFAOYSA-N 1 1 330.432 0.908 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950321321 611970273 /nfs/dbraw/zinc/97/02/73/611970273.db2.gz ZOFXKWQYPVYNFP-HIFRSBDPSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)Cn3cncc3C)CC2)C1 ZINC000949414547 611970950 /nfs/dbraw/zinc/97/09/50/611970950.db2.gz CEIHBSCTIIRHEV-UHFFFAOYSA-N 1 1 330.432 0.908 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(C)ncn1 ZINC000949449954 611985412 /nfs/dbraw/zinc/98/54/12/611985412.db2.gz VBZOZJSQDZIAQX-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(C)ncn1 ZINC000949449954 611985414 /nfs/dbraw/zinc/98/54/14/611985414.db2.gz VBZOZJSQDZIAQX-HOCLYGCPSA-N 1 1 341.415 0.213 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000950386037 611993963 /nfs/dbraw/zinc/99/39/63/611993963.db2.gz HDOUGRSKVMATPW-MLGOLLRUSA-N 1 1 343.431 0.947 20 30 ECEDMO CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949520585 612018941 /nfs/dbraw/zinc/01/89/41/612018941.db2.gz ZZHXRSOOHYOHDR-KRWDZBQOSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949520585 612018943 /nfs/dbraw/zinc/01/89/43/612018943.db2.gz ZZHXRSOOHYOHDR-KRWDZBQOSA-N 1 1 347.459 0.572 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cccnc3C(N)=O)CC2)C1 ZINC000949528859 612022114 /nfs/dbraw/zinc/02/21/14/612022114.db2.gz CRFWNSGPEREVPO-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cccnc3C(N)=O)CC2)C1 ZINC000949528859 612022116 /nfs/dbraw/zinc/02/21/16/612022116.db2.gz CRFWNSGPEREVPO-UHFFFAOYSA-N 1 1 344.415 0.674 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000950465407 612030716 /nfs/dbraw/zinc/03/07/16/612030716.db2.gz IXXNANSKZUUVOG-HUUCEWRRSA-N 1 1 326.400 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(C)sn1 ZINC000949622493 612045050 /nfs/dbraw/zinc/04/50/50/612045050.db2.gz QOTRJHVMJDIRSI-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(C)sn1 ZINC000949622493 612045051 /nfs/dbraw/zinc/04/50/51/612045051.db2.gz QOTRJHVMJDIRSI-ZFWWWQNUSA-N 1 1 346.456 0.880 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc(C)no2)C1 ZINC000951223725 612088268 /nfs/dbraw/zinc/08/82/68/612088268.db2.gz OIWRSURZHSGXJR-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc(C)no2)C1 ZINC000951223725 612088271 /nfs/dbraw/zinc/08/82/71/612088271.db2.gz OIWRSURZHSGXJR-CABCVRRESA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cncnc2)C1 ZINC000951223952 612088790 /nfs/dbraw/zinc/08/87/90/612088790.db2.gz UDKLQRKNMDBJDI-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cncnc2)C1 ZINC000951223952 612088791 /nfs/dbraw/zinc/08/87/91/612088791.db2.gz UDKLQRKNMDBJDI-HOTGVXAUSA-N 1 1 341.415 0.295 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000952011707 612174994 /nfs/dbraw/zinc/17/49/94/612174994.db2.gz ASJYGNBEMLALNT-RDJZCZTQSA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000952014375 612177335 /nfs/dbraw/zinc/17/73/35/612177335.db2.gz KOEZDDXTTMNTAM-KBRIMQKVSA-N 1 1 340.427 0.734 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000953173058 612192634 /nfs/dbraw/zinc/19/26/34/612192634.db2.gz RYABFRKRGLITDK-DYVFJYSZSA-N 1 1 329.404 0.802 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C[N@@H+]2CCC[C@H]2C)nc1 ZINC000951378686 612195212 /nfs/dbraw/zinc/19/52/12/612195212.db2.gz XRCUJUAILMFHHC-ZBFHGGJFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC000951495311 612269582 /nfs/dbraw/zinc/26/95/82/612269582.db2.gz YIYQVMPCJXRUFK-HZPDHXFCSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000954472840 612309627 /nfs/dbraw/zinc/30/96/27/612309627.db2.gz ITSVDMVVZQFWRZ-HOCLYGCPSA-N 1 1 347.459 0.875 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000952281960 612344416 /nfs/dbraw/zinc/34/44/16/612344416.db2.gz XPLDQNFVYYSYOJ-OAHLLOKOSA-N 1 1 343.431 0.806 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000953958747 612496308 /nfs/dbraw/zinc/49/63/08/612496308.db2.gz ZBMROQYURQANGO-ZDUSSCGKSA-N 1 1 343.855 0.765 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000953958747 612496311 /nfs/dbraw/zinc/49/63/11/612496311.db2.gz ZBMROQYURQANGO-ZDUSSCGKSA-N 1 1 343.855 0.765 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](CC)SC)C1 ZINC000954630680 612468242 /nfs/dbraw/zinc/46/82/42/612468242.db2.gz GZBZGDGCBCFRIJ-GJZGRUSLSA-N 1 1 337.489 0.895 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](CC)SC)C1 ZINC000954630680 612468246 /nfs/dbraw/zinc/46/82/46/612468246.db2.gz GZBZGDGCBCFRIJ-GJZGRUSLSA-N 1 1 337.489 0.895 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CC(OC)C2)C1 ZINC000954631088 612469494 /nfs/dbraw/zinc/46/94/94/612469494.db2.gz OPOWHKHLZNUWIL-BCLQGDPASA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CC(OC)C2)C1 ZINC000954631088 612469497 /nfs/dbraw/zinc/46/94/97/612469497.db2.gz OPOWHKHLZNUWIL-BCLQGDPASA-N 1 1 333.432 0.178 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnn(C)c2C)C1 ZINC000954631473 612470199 /nfs/dbraw/zinc/47/01/99/612470199.db2.gz YFYICOJRUIIHJQ-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnn(C)c2C)C1 ZINC000954631473 612470201 /nfs/dbraw/zinc/47/02/01/612470201.db2.gz YFYICOJRUIIHJQ-INIZCTEOSA-N 1 1 343.431 0.109 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cscn2)C1 ZINC000956766160 612494303 /nfs/dbraw/zinc/49/43/03/612494303.db2.gz DSDIIJTVXHAUNQ-YOEHRIQHSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cscn2)C1 ZINC000956766160 612494307 /nfs/dbraw/zinc/49/43/07/612494307.db2.gz DSDIIJTVXHAUNQ-YOEHRIQHSA-N 1 1 346.456 0.962 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cocn2)C1 ZINC000956768572 612497276 /nfs/dbraw/zinc/49/72/76/612497276.db2.gz GAYNITHBUGFDHT-WMLDXEAASA-N 1 1 330.388 0.493 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cocn2)C1 ZINC000956768572 612497280 /nfs/dbraw/zinc/49/72/80/612497280.db2.gz GAYNITHBUGFDHT-WMLDXEAASA-N 1 1 330.388 0.493 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000953959762 612500792 /nfs/dbraw/zinc/50/07/92/612500792.db2.gz PCSPGFFGJYPIKV-MRXNPFEDSA-N 1 1 346.431 0.288 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000953959762 612500793 /nfs/dbraw/zinc/50/07/93/612500793.db2.gz PCSPGFFGJYPIKV-MRXNPFEDSA-N 1 1 346.431 0.288 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C ZINC000951721918 612507551 /nfs/dbraw/zinc/50/75/51/612507551.db2.gz YULHICBAGDOBRL-YDHLFZDLSA-N 1 1 343.431 0.947 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000956776750 612516923 /nfs/dbraw/zinc/51/69/23/612516923.db2.gz OWAUXEJBVDCYSH-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000953988415 612527530 /nfs/dbraw/zinc/52/75/30/612527530.db2.gz ZCNCVPSQHIXOON-QGZVFWFLSA-N 1 1 347.459 0.570 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000953988415 612527534 /nfs/dbraw/zinc/52/75/34/612527534.db2.gz ZCNCVPSQHIXOON-QGZVFWFLSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)C(F)F)CC1 ZINC000954044464 612586001 /nfs/dbraw/zinc/58/60/01/612586001.db2.gz CCMGARXSQAGNTQ-ZDUSSCGKSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)C(F)F)CC1 ZINC000954044464 612586004 /nfs/dbraw/zinc/58/60/04/612586004.db2.gz CCMGARXSQAGNTQ-ZDUSSCGKSA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H](O)C(C)C)CC1 ZINC000954044790 612586054 /nfs/dbraw/zinc/58/60/54/612586054.db2.gz QUFNBGVYNCGUQH-DLBZAZTESA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)[C@H](O)C(C)C)CC1 ZINC000954044790 612586056 /nfs/dbraw/zinc/58/60/56/612586056.db2.gz QUFNBGVYNCGUQH-DLBZAZTESA-N 1 1 349.475 0.550 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000954088309 612647181 /nfs/dbraw/zinc/64/71/81/612647181.db2.gz FVUIOCHEMINSKY-BXUZGUMPSA-N 1 1 329.404 0.509 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954794889 612688641 /nfs/dbraw/zinc/68/86/41/612688641.db2.gz LSPYCKZCGUUXSO-UHFFFAOYSA-N 1 1 326.360 0.374 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954841430 612736643 /nfs/dbraw/zinc/73/66/43/612736643.db2.gz ZHRGTPQCNNXDDI-HFTRVMKXSA-N 1 1 349.475 0.979 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC000954911848 612781223 /nfs/dbraw/zinc/78/12/23/612781223.db2.gz PDSFJUONMDQNJH-KRWDZBQOSA-N 1 1 340.427 0.830 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000954913390 612782918 /nfs/dbraw/zinc/78/29/18/612782918.db2.gz TUMLRXVAWHTNPV-AWEZNQCLSA-N 1 1 326.400 0.297 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC000954916160 612785251 /nfs/dbraw/zinc/78/52/51/612785251.db2.gz FAAJUNFBHLXDCI-HNNXBMFYSA-N 1 1 340.427 0.688 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(C)(NC(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000956340805 612842010 /nfs/dbraw/zinc/84/20/10/612842010.db2.gz MVVYHUYWRNVYJC-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954317839 612846828 /nfs/dbraw/zinc/84/68/28/612846828.db2.gz AIXXMCBEXYCQPV-BMFZPTHFSA-N 1 1 335.448 0.589 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000956375372 612861666 /nfs/dbraw/zinc/86/16/66/612861666.db2.gz QRHQVTDMWAGLMK-AWEZNQCLSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CC[N@H+](CCO)C1CCN(C(=O)C(=O)Nc2cc(C)on2)CC1 ZINC001098561040 735457817 /nfs/dbraw/zinc/45/78/17/735457817.db2.gz NPZFCNPMPFQORK-UHFFFAOYSA-N 1 1 336.392 0.393 20 30 ECEDMO Cn1ncnc1C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001024932689 738407883 /nfs/dbraw/zinc/40/78/83/738407883.db2.gz AQASJJYUOQCHSC-CYBMUJFWSA-N 1 1 327.392 0.799 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001104537099 738446187 /nfs/dbraw/zinc/44/61/87/738446187.db2.gz APBWZLUJBWSCSW-JSGCOSHPSA-N 1 1 332.408 0.246 20 30 ECEDMO Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001104537099 738446188 /nfs/dbraw/zinc/44/61/88/738446188.db2.gz APBWZLUJBWSCSW-JSGCOSHPSA-N 1 1 332.408 0.246 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041792427 782218851 /nfs/dbraw/zinc/21/88/51/782218851.db2.gz LOBBWSOUHDNPEN-SFHVURJKSA-N 1 1 342.399 0.117 20 30 ECEDMO C#CCOc1ncccc1C(=O)N1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001041792427 782218860 /nfs/dbraw/zinc/21/88/60/782218860.db2.gz LOBBWSOUHDNPEN-SFHVURJKSA-N 1 1 342.399 0.117 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ccncc2C#N)C1 ZINC001125280417 731577199 /nfs/dbraw/zinc/57/71/99/731577199.db2.gz RSERICCELIUASZ-GOEBONIOSA-N 1 1 345.447 0.551 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 ZINC001125280390 731577275 /nfs/dbraw/zinc/57/72/75/731577275.db2.gz RHSAHGDDXHMRIY-DZGCQCFKSA-N 1 1 346.435 0.088 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)cn1 ZINC001041794919 782223850 /nfs/dbraw/zinc/22/38/50/782223850.db2.gz YAYVYPHROPCDIY-FZKQIMNGSA-N 1 1 326.400 0.475 20 30 ECEDMO CC[N@@H+](C)C(C)(C)C(=O)N1CCO[C@@H](CNc2cncc(C#N)n2)C1 ZINC001111957647 738529125 /nfs/dbraw/zinc/52/91/25/738529125.db2.gz ZPHKPOQSQZMNKN-AWEZNQCLSA-N 1 1 346.435 0.718 20 30 ECEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](n2ccnn2)C1 ZINC001069978094 790271477 /nfs/dbraw/zinc/27/14/77/790271477.db2.gz WMKCVURNOPNIMI-CABCVRRESA-N 1 1 329.408 0.090 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](n2ccnn2)C1 ZINC001069978094 790271482 /nfs/dbraw/zinc/27/14/82/790271482.db2.gz WMKCVURNOPNIMI-CABCVRRESA-N 1 1 329.408 0.090 20 30 ECEDMO N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC000969245774 731636377 /nfs/dbraw/zinc/63/63/77/731636377.db2.gz VWAOMRXZRFOPCN-JKSUJKDBSA-N 1 1 347.440 0.683 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)C3=COCCO3)C2)C1=O ZINC000969242678 731639576 /nfs/dbraw/zinc/63/95/76/731639576.db2.gz KPSMDGXHAJJRNM-JSGCOSHPSA-N 1 1 335.404 0.098 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](C)OC)C[C@@H]32)c1 ZINC001083188495 731764838 /nfs/dbraw/zinc/76/48/38/731764838.db2.gz XVRXKQJFUNCITL-XOKHGSTOSA-N 1 1 329.400 0.623 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ccnn3C)C2)C1=O ZINC000969388136 731788558 /nfs/dbraw/zinc/78/85/58/731788558.db2.gz CJAXULNZEUQAQA-DOMZBBRYSA-N 1 1 331.420 0.257 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001041809130 782245934 /nfs/dbraw/zinc/24/59/34/782245934.db2.gz WLBLDFXNPFVYLT-WQVCFCJDSA-N 1 1 343.431 0.533 20 30 ECEDMO Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001041809130 782245937 /nfs/dbraw/zinc/24/59/37/782245937.db2.gz WLBLDFXNPFVYLT-WQVCFCJDSA-N 1 1 343.431 0.533 20 30 ECEDMO C=C(Br)CN1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969441683 731884244 /nfs/dbraw/zinc/88/42/44/731884244.db2.gz LTZLSBJADLGDLB-AAEUAGOBSA-N 1 1 346.269 0.662 20 30 ECEDMO C=C(Br)CN1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969441683 731884246 /nfs/dbraw/zinc/88/42/46/731884246.db2.gz LTZLSBJADLGDLB-AAEUAGOBSA-N 1 1 346.269 0.662 20 30 ECEDMO C[C@@H](NC(=O)[C@H]1CN(C)CCO1)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000969442354 731888675 /nfs/dbraw/zinc/88/86/75/731888675.db2.gz QCJZIAOCJJMDGC-VQIMIIECSA-N 1 1 341.455 0.805 20 30 ECEDMO CC(C)N1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)C1=O ZINC000969467726 731917402 /nfs/dbraw/zinc/91/74/02/731917402.db2.gz XPIXLEIMVZWETN-BLLLJJGKSA-N 1 1 343.431 0.946 20 30 ECEDMO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC000969526117 731948488 /nfs/dbraw/zinc/94/84/88/731948488.db2.gz JMPANTNKKHJFDI-NHYWBVRUSA-N 1 1 329.404 0.557 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC000969587882 731987275 /nfs/dbraw/zinc/98/72/75/731987275.db2.gz YQSDBAKRCVQCKL-CYBMUJFWSA-N 1 1 348.451 0.927 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ccc(C)nn3)C2)C1=O ZINC000969655369 732026228 /nfs/dbraw/zinc/02/62/28/732026228.db2.gz WVVSXEUWDBMNJU-BBRMVZONSA-N 1 1 343.431 0.622 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046580 738579047 /nfs/dbraw/zinc/57/90/47/738579047.db2.gz DYIJQQDFEWDJSN-SMDDNHRTSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973046580 738579049 /nfs/dbraw/zinc/57/90/49/738579049.db2.gz DYIJQQDFEWDJSN-SMDDNHRTSA-N 1 1 331.420 0.803 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CN(C)c2ccc(C#N)cn2)CC[N@H+]1C ZINC001125305703 732384728 /nfs/dbraw/zinc/38/47/28/732384728.db2.gz XHWJVGGFYZCKCU-VNQPRFMTSA-N 1 1 345.447 0.549 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ccnn2C)C1 ZINC000969868507 732463455 /nfs/dbraw/zinc/46/34/55/732463455.db2.gz JKAZEBKQQRUYKI-YOEHRIQHSA-N 1 1 329.448 0.454 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ccnn2C)C1 ZINC000969868507 732463458 /nfs/dbraw/zinc/46/34/58/732463458.db2.gz JKAZEBKQQRUYKI-YOEHRIQHSA-N 1 1 329.448 0.454 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC000970017385 732627941 /nfs/dbraw/zinc/62/79/41/732627941.db2.gz UHQFLGPCALUDHA-FMKPAKJESA-N 1 1 333.436 0.888 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001025111814 738668778 /nfs/dbraw/zinc/66/87/78/738668778.db2.gz MIZNFXNLOMBAKZ-YCPHGPKFSA-N 1 1 348.451 0.662 20 30 ECEDMO CC#CC[N@H+](CCO)C1CCN(C(=O)Cc2cnn(CC)c2)CC1 ZINC001098530573 733023620 /nfs/dbraw/zinc/02/36/20/733023620.db2.gz COAFONTVKZCOEB-UHFFFAOYSA-N 1 1 332.448 0.754 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001041850523 782334983 /nfs/dbraw/zinc/33/49/83/782334983.db2.gz KJTDYWVOEKUUMW-IBGZPJMESA-N 1 1 325.412 0.886 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001078123427 782339218 /nfs/dbraw/zinc/33/92/18/782339218.db2.gz RPPDYOSSQSXAML-ZIAGYGMSSA-N 1 1 344.419 0.482 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)C[C@H](C)OC)CC2)cn1 ZINC001098536904 733488952 /nfs/dbraw/zinc/48/89/52/733488952.db2.gz SRQVZFLVGZTZSM-HNNXBMFYSA-N 1 1 345.443 0.997 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001078130294 782348256 /nfs/dbraw/zinc/34/82/56/782348256.db2.gz XOWMOXWJGCFTHF-HUUCEWRRSA-N 1 1 332.404 0.918 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001041860509 782355327 /nfs/dbraw/zinc/35/53/27/782355327.db2.gz FJZIHRPWRQJBID-RDTXWAMCSA-N 1 1 333.432 0.930 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CCc3ccnn3C)C2)CC1 ZINC000970792764 733943474 /nfs/dbraw/zinc/94/34/74/733943474.db2.gz VHQJGBRBWWROQX-QGZVFWFLSA-N 1 1 343.475 0.498 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(C)no3)C2)C1=O ZINC000971070669 734230929 /nfs/dbraw/zinc/23/09/29/734230929.db2.gz FNAAAOFAPKVSOM-KBPBESRZSA-N 1 1 332.404 0.916 20 30 ECEDMO Cc1ccc(C#N)c(NCCN(CCO)C(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001111584631 734265542 /nfs/dbraw/zinc/26/55/42/734265542.db2.gz FVHKQNCBXOQONC-MRXNPFEDSA-N 1 1 345.447 0.979 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C1CC1 ZINC001111488900 734266738 /nfs/dbraw/zinc/26/67/38/734266738.db2.gz ZAPYXIIZEWDTEA-XZDPQHSOSA-N 1 1 335.448 0.920 20 30 ECEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C1CC1 ZINC001111488900 734266739 /nfs/dbraw/zinc/26/67/39/734266739.db2.gz ZAPYXIIZEWDTEA-XZDPQHSOSA-N 1 1 335.448 0.920 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000973123771 738798840 /nfs/dbraw/zinc/79/88/40/738798840.db2.gz JYRGUAQCBGHXIA-JYJNAYRXSA-N 1 1 335.448 0.827 20 30 ECEDMO C=C1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000973123771 738798843 /nfs/dbraw/zinc/79/88/43/738798843.db2.gz JYRGUAQCBGHXIA-JYJNAYRXSA-N 1 1 335.448 0.827 20 30 ECEDMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(c2ncc(C#N)cc2F)CCO1 ZINC001104323720 734305206 /nfs/dbraw/zinc/30/52/06/734305206.db2.gz XPDGGZJANJHCRE-AWEZNQCLSA-N 1 1 349.410 0.756 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(C)n[nH]3)C2)C1=O ZINC000971160764 734325932 /nfs/dbraw/zinc/32/59/32/734325932.db2.gz MKKNLHODXOFJPZ-ZFWWWQNUSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000971160764 734325934 /nfs/dbraw/zinc/32/59/34/734325934.db2.gz MKKNLHODXOFJPZ-ZFWWWQNUSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O ZINC000971160764 734325936 /nfs/dbraw/zinc/32/59/36/734325936.db2.gz MKKNLHODXOFJPZ-ZFWWWQNUSA-N 1 1 331.420 0.651 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C)n3)C2)C1=O ZINC000971214150 734364727 /nfs/dbraw/zinc/36/47/27/734364727.db2.gz PMQVKFNYLHXDMP-ZFWWWQNUSA-N 1 1 331.420 0.651 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)n3ccsc3n2)C1 ZINC000971221823 734367332 /nfs/dbraw/zinc/36/73/32/734367332.db2.gz REMKOVNRUGNWFB-YPMHNXCESA-N 1 1 345.428 0.948 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)n3ccsc3n2)C1 ZINC000971221823 734367334 /nfs/dbraw/zinc/36/73/34/734367334.db2.gz REMKOVNRUGNWFB-YPMHNXCESA-N 1 1 345.428 0.948 20 30 ECEDMO Cc1cc(C#N)nc(NCCN(CCO)C(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001111489326 734409596 /nfs/dbraw/zinc/40/95/96/734409596.db2.gz TUOWCKHPTWAQPS-CQSZACIVSA-N 1 1 346.435 0.231 20 30 ECEDMO C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001149257055 734444333 /nfs/dbraw/zinc/44/43/33/734444333.db2.gz WPCRHYJRYXREMD-KBPBESRZSA-N 1 1 327.425 0.904 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973142070 738820176 /nfs/dbraw/zinc/82/01/76/738820176.db2.gz SKAXVSSEWBXCDN-UBHSHLNASA-N 1 1 329.404 0.748 20 30 ECEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc(C2CC2)nc1C ZINC001114943300 734470412 /nfs/dbraw/zinc/47/04/12/734470412.db2.gz WZMZBQJVNYSYTJ-NHAGDIPZSA-N 1 1 344.415 0.823 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc(C2CC2)nc1C ZINC001114943300 734470414 /nfs/dbraw/zinc/47/04/14/734470414.db2.gz WZMZBQJVNYSYTJ-NHAGDIPZSA-N 1 1 344.415 0.823 20 30 ECEDMO CN1CCC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O ZINC000971363691 734476059 /nfs/dbraw/zinc/47/60/59/734476059.db2.gz CHOFHSVKCGFXTR-DZGCQCFKSA-N 1 1 329.404 0.653 20 30 ECEDMO C[N@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971371437 734482365 /nfs/dbraw/zinc/48/23/65/734482365.db2.gz JRBYBNGJIYURNA-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO C[N@@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971371437 734482368 /nfs/dbraw/zinc/48/23/68/734482368.db2.gz JRBYBNGJIYURNA-OAHLLOKOSA-N 1 1 329.404 0.655 20 30 ECEDMO CN1CCOC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000971379878 734492396 /nfs/dbraw/zinc/49/23/96/734492396.db2.gz QGWFVKMSHVIONU-MSOLQXFVSA-N 1 1 342.443 0.922 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cc(OC)no3)C2)C1=O ZINC000971380314 734493244 /nfs/dbraw/zinc/49/32/44/734493244.db2.gz HHTKZWRRZTWLRX-QWHCGFSZSA-N 1 1 348.403 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)C3=CCOCC3)C2)C1=O ZINC000971388088 734498344 /nfs/dbraw/zinc/49/83/44/734498344.db2.gz IWPGFUMEFUWYRT-HZPDHXFCSA-N 1 1 333.432 0.653 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104350480 734527542 /nfs/dbraw/zinc/52/75/42/734527542.db2.gz XXHZZKUQFBOOLJ-GOEBONIOSA-N 1 1 343.431 0.759 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451669 734610211 /nfs/dbraw/zinc/61/02/11/734610211.db2.gz MMFDPWCHIOOMDU-HUUCEWRRSA-N 1 1 328.372 0.699 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451669 734610212 /nfs/dbraw/zinc/61/02/12/734610212.db2.gz MMFDPWCHIOOMDU-HUUCEWRRSA-N 1 1 328.372 0.699 20 30 ECEDMO C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971507527 734697769 /nfs/dbraw/zinc/69/77/69/734697769.db2.gz JFQUIFBKUARQMA-HZPDHXFCSA-N 1 1 338.473 0.757 20 30 ECEDMO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261951071 734866577 /nfs/dbraw/zinc/86/65/77/734866577.db2.gz HJVAZEYBEAZMEI-SWLSCSKDSA-N 1 1 333.484 0.634 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC1CC1 ZINC001111489683 734963676 /nfs/dbraw/zinc/96/36/76/734963676.db2.gz ICTFIBAAVWDFFZ-MIGQKNRLSA-N 1 1 335.448 0.968 20 30 ECEDMO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC1CC1 ZINC001111489683 734963678 /nfs/dbraw/zinc/96/36/78/734963678.db2.gz ICTFIBAAVWDFFZ-MIGQKNRLSA-N 1 1 335.448 0.968 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nnc(C)o2)C1 ZINC000971703220 734964546 /nfs/dbraw/zinc/96/45/46/734964546.db2.gz AMYFNNDKAQADIH-GJZGRUSLSA-N 1 1 331.420 0.508 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nnc(C)o2)C1 ZINC000971703220 734964548 /nfs/dbraw/zinc/96/45/48/734964548.db2.gz AMYFNNDKAQADIH-GJZGRUSLSA-N 1 1 331.420 0.508 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)Nc2nccnc2C#N)C1 ZINC001098214942 735196135 /nfs/dbraw/zinc/19/61/35/735196135.db2.gz CGOLYQRQINDJLK-GXTWGEPZSA-N 1 1 332.408 0.374 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3NC(=O)c4ccccc43)[C@H]2C1 ZINC001083229447 735230983 /nfs/dbraw/zinc/23/09/83/735230983.db2.gz AOPSQAVQMYVVGA-IXDOHACOSA-N 1 1 341.411 0.959 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3NC(=O)c4ccccc43)[C@H]2C1 ZINC001083229447 735230987 /nfs/dbraw/zinc/23/09/87/735230987.db2.gz AOPSQAVQMYVVGA-IXDOHACOSA-N 1 1 341.411 0.959 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC000973187078 738889620 /nfs/dbraw/zinc/88/96/20/738889620.db2.gz YOTFEZJFQMTVJM-ZOBUZTSGSA-N 1 1 343.427 0.992 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC000973187078 738889626 /nfs/dbraw/zinc/88/96/26/738889626.db2.gz YOTFEZJFQMTVJM-ZOBUZTSGSA-N 1 1 343.427 0.992 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000971849334 735235131 /nfs/dbraw/zinc/23/51/31/735235131.db2.gz VXQNTYXPDBUNQW-DAXOMENPSA-N 1 1 341.415 0.653 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@H](C)C2)C1 ZINC000972077862 735616905 /nfs/dbraw/zinc/61/69/05/735616905.db2.gz ALNATVGBRXXPEF-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@H](C)C2)C1 ZINC000972077862 735616907 /nfs/dbraw/zinc/61/69/07/735616907.db2.gz ALNATVGBRXXPEF-CABCVRRESA-N 1 1 337.464 0.979 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972080754 735619580 /nfs/dbraw/zinc/61/95/80/735619580.db2.gz WCBRFPATLAKHRY-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972080754 735619582 /nfs/dbraw/zinc/61/95/82/735619582.db2.gz WCBRFPATLAKHRY-GJZGRUSLSA-N 1 1 344.390 0.866 20 30 ECEDMO CN1C[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)NC1=O ZINC000972087173 735626641 /nfs/dbraw/zinc/62/66/41/735626641.db2.gz QKBAHSIJAUHENW-CVEARBPZSA-N 1 1 341.415 0.615 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)[C@H]2C1 ZINC001083241752 735642565 /nfs/dbraw/zinc/64/25/65/735642565.db2.gz XIVJIMZWVBDBOP-OWCLPIDISA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)[C@H]2C1 ZINC001083241752 735642567 /nfs/dbraw/zinc/64/25/67/735642567.db2.gz XIVJIMZWVBDBOP-OWCLPIDISA-N 1 1 333.432 0.180 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001041956907 782491399 /nfs/dbraw/zinc/49/13/99/782491399.db2.gz ZJKFSMJYLIFQPK-UHFFFAOYSA-N 1 1 334.420 0.627 20 30 ECEDMO C=CCC[N@H+](CCO)C1CCN(C(=O)CCN2CCCC2=O)CC1 ZINC001098564250 735681755 /nfs/dbraw/zinc/68/17/55/735681755.db2.gz ULBYKKQSNPBKGI-UHFFFAOYSA-N 1 1 337.464 0.860 20 30 ECEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000972192097 735772417 /nfs/dbraw/zinc/77/24/17/735772417.db2.gz JTQMLNRUJOIGOL-HNNXBMFYSA-N 1 1 337.383 0.988 20 30 ECEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000972192097 735772421 /nfs/dbraw/zinc/77/24/21/735772421.db2.gz JTQMLNRUJOIGOL-HNNXBMFYSA-N 1 1 337.383 0.988 20 30 ECEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972225185 735811807 /nfs/dbraw/zinc/81/18/07/735811807.db2.gz XIOYWAAINWTSTQ-AWEZNQCLSA-N 1 1 344.390 0.996 20 30 ECEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972225185 735811811 /nfs/dbraw/zinc/81/18/11/735811811.db2.gz XIOYWAAINWTSTQ-AWEZNQCLSA-N 1 1 344.390 0.996 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001058908940 751364774 /nfs/dbraw/zinc/36/47/74/751364774.db2.gz MWCXMNPKMYTVEK-ZFWWWQNUSA-N 1 1 344.419 0.390 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3nc(C)cc(C#N)n3)C2)C1 ZINC001058908940 751364779 /nfs/dbraw/zinc/36/47/79/751364779.db2.gz MWCXMNPKMYTVEK-ZFWWWQNUSA-N 1 1 344.419 0.390 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001058909014 751365209 /nfs/dbraw/zinc/36/52/09/751365209.db2.gz QLLLFQROUMHOJB-RDJZCZTQSA-N 1 1 343.431 0.417 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001058909014 751365216 /nfs/dbraw/zinc/36/52/16/751365216.db2.gz QLLLFQROUMHOJB-RDJZCZTQSA-N 1 1 343.431 0.417 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001078219606 782510592 /nfs/dbraw/zinc/51/05/92/782510592.db2.gz HZJORVNLVVYUCU-OWCLPIDISA-N 1 1 335.448 0.352 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001078219606 782510599 /nfs/dbraw/zinc/51/05/99/782510599.db2.gz HZJORVNLVVYUCU-OWCLPIDISA-N 1 1 335.448 0.352 20 30 ECEDMO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 ZINC000972407661 736136882 /nfs/dbraw/zinc/13/68/82/736136882.db2.gz GAVMRIASGYRLJT-CRAIPNDOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972410302 736143395 /nfs/dbraw/zinc/14/33/95/736143395.db2.gz ULDCPBXEEPPTLY-KDOFPFPSSA-N 1 1 349.431 0.403 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972408404 736144584 /nfs/dbraw/zinc/14/45/84/736144584.db2.gz NWJAODMAILUMND-QGZVFWFLSA-N 1 1 342.403 0.846 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972408404 736144587 /nfs/dbraw/zinc/14/45/87/736144587.db2.gz NWJAODMAILUMND-QGZVFWFLSA-N 1 1 342.403 0.846 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(CC#CC)CCO2 ZINC000972417034 736155335 /nfs/dbraw/zinc/15/53/35/736155335.db2.gz QHLKAGAINCSMQD-PKOBYXMFSA-N 1 1 329.444 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(CC#CC)CCO2 ZINC000972417034 736155337 /nfs/dbraw/zinc/15/53/37/736155337.db2.gz QHLKAGAINCSMQD-PKOBYXMFSA-N 1 1 329.444 0.411 20 30 ECEDMO C=CCCC[N@H+](CCO)C1CCN(C(=O)CS(=O)(=O)CC)CC1 ZINC001098571392 736169966 /nfs/dbraw/zinc/16/99/66/736169966.db2.gz QIOXTNQAXDHCEZ-UHFFFAOYSA-N 1 1 346.493 0.673 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972425626 736174882 /nfs/dbraw/zinc/17/48/82/736174882.db2.gz PPWORQMNRPBBKK-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972425626 736174885 /nfs/dbraw/zinc/17/48/85/736174885.db2.gz PPWORQMNRPBBKK-QAPCUYQASA-N 1 1 335.448 0.734 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428924 736178713 /nfs/dbraw/zinc/17/87/13/736178713.db2.gz RDHCUVWNKQCXSZ-SFHVURJKSA-N 1 1 346.431 0.880 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428924 736178717 /nfs/dbraw/zinc/17/87/17/736178717.db2.gz RDHCUVWNKQCXSZ-SFHVURJKSA-N 1 1 346.431 0.880 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972440610 736202522 /nfs/dbraw/zinc/20/25/22/736202522.db2.gz HIOBZIZVOAZCKT-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972440610 736202525 /nfs/dbraw/zinc/20/25/25/736202525.db2.gz HIOBZIZVOAZCKT-FUHWJXTLSA-N 1 1 337.464 0.587 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3COC)C2)C1 ZINC000972441966 736205307 /nfs/dbraw/zinc/20/53/07/736205307.db2.gz XONYSSUMFIDUPL-SFHVURJKSA-N 1 1 346.431 0.507 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3COC)C2)C1 ZINC000972441966 736205311 /nfs/dbraw/zinc/20/53/11/736205311.db2.gz XONYSSUMFIDUPL-SFHVURJKSA-N 1 1 346.431 0.507 20 30 ECEDMO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001041972596 782520854 /nfs/dbraw/zinc/52/08/54/782520854.db2.gz DVHFEJLEJUVXNS-OAHLLOKOSA-N 1 1 337.464 0.764 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000972452925 736236092 /nfs/dbraw/zinc/23/60/92/736236092.db2.gz UXGVZPBTJSVBRN-ZACQAIPSSA-N 1 1 345.443 0.180 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)C1 ZINC000972452925 736236094 /nfs/dbraw/zinc/23/60/94/736236094.db2.gz UXGVZPBTJSVBRN-ZACQAIPSSA-N 1 1 345.443 0.180 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C ZINC001041970698 782516278 /nfs/dbraw/zinc/51/62/78/782516278.db2.gz SZLHCFKCJAALGR-BXUZGUMPSA-N 1 1 325.376 0.494 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001078226700 782521773 /nfs/dbraw/zinc/52/17/73/782521773.db2.gz ODVIVOFSQCYUOP-CHWSQXEVSA-N 1 1 325.434 0.264 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(CC)nn3C)C2)C1 ZINC000972474118 736291648 /nfs/dbraw/zinc/29/16/48/736291648.db2.gz IARNQXZUWNJBFZ-IBGZPJMESA-N 1 1 344.459 0.852 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(CC)nn3C)C2)C1 ZINC000972474118 736291650 /nfs/dbraw/zinc/29/16/50/736291650.db2.gz IARNQXZUWNJBFZ-IBGZPJMESA-N 1 1 344.459 0.852 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 ZINC000972479788 736307210 /nfs/dbraw/zinc/30/72/10/736307210.db2.gz ZNPTXZSCTIWWFT-QGZVFWFLSA-N 1 1 333.436 0.720 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 ZINC000972479788 736307214 /nfs/dbraw/zinc/30/72/14/736307214.db2.gz ZNPTXZSCTIWWFT-QGZVFWFLSA-N 1 1 333.436 0.720 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nc[nH]c3=O)C2)C1 ZINC000972511732 736495356 /nfs/dbraw/zinc/49/53/56/736495356.db2.gz HBHUJOOQCKUBRR-KRWDZBQOSA-N 1 1 332.404 0.984 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nc[nH]c3=O)C2)C1 ZINC000972511732 736495359 /nfs/dbraw/zinc/49/53/59/736495359.db2.gz HBHUJOOQCKUBRR-KRWDZBQOSA-N 1 1 332.404 0.984 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NCc3nnc(C)[nH]3)C2)CC1 ZINC001023128136 736523407 /nfs/dbraw/zinc/52/34/07/736523407.db2.gz QXXQXWFTUQHQTN-GASCZTMLSA-N 1 1 330.436 0.195 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC(C)=O)C1 ZINC001111590030 736535571 /nfs/dbraw/zinc/53/55/71/736535571.db2.gz PMYNDCOQUJFZBD-GJYPPUQNSA-N 1 1 347.459 0.854 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC(C)=O)C1 ZINC001111590030 736535572 /nfs/dbraw/zinc/53/55/72/736535572.db2.gz PMYNDCOQUJFZBD-GJYPPUQNSA-N 1 1 347.459 0.854 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCO[C@H]2CC)C1=O ZINC001025915346 740232748 /nfs/dbraw/zinc/23/27/48/740232748.db2.gz LGXYWQUFHDDUDF-XDKXFUCDSA-N 1 1 347.459 0.635 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001023424125 736807405 /nfs/dbraw/zinc/80/74/05/736807405.db2.gz OMUXIRVLQBOMGC-IRXDYDNUSA-N 1 1 346.475 0.145 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001023475773 736885022 /nfs/dbraw/zinc/88/50/22/736885022.db2.gz CRRNTSXGUAFDCQ-OAHLLOKOSA-N 1 1 348.447 0.908 20 30 ECEDMO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)OC[C@H]2CCCO2)CC1 ZINC001098577529 736947010 /nfs/dbraw/zinc/94/70/10/736947010.db2.gz LPYICFARSVFZGB-DOTOQJQBSA-N 1 1 338.448 0.489 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)cc1 ZINC000972582871 736948914 /nfs/dbraw/zinc/94/89/14/736948914.db2.gz OPVUKWJKBJMSGG-IBGZPJMESA-N 1 1 344.411 0.608 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)cc1 ZINC000972582871 736948918 /nfs/dbraw/zinc/94/89/18/736948918.db2.gz OPVUKWJKBJMSGG-IBGZPJMESA-N 1 1 344.411 0.608 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3ncccn3)C2)C1=O ZINC000972588315 736991533 /nfs/dbraw/zinc/99/15/33/736991533.db2.gz AEYJARBBYNYXHD-UONOGXRCSA-N 1 1 329.404 0.410 20 30 ECEDMO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)C1 ZINC000972591174 737008286 /nfs/dbraw/zinc/00/82/86/737008286.db2.gz XSCSIPSSXPCYNT-QAPCUYQASA-N 1 1 330.432 0.915 20 30 ECEDMO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)C1 ZINC000972591174 737008292 /nfs/dbraw/zinc/00/82/92/737008292.db2.gz XSCSIPSSXPCYNT-QAPCUYQASA-N 1 1 330.432 0.915 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001023558871 737009701 /nfs/dbraw/zinc/00/97/01/737009701.db2.gz WGQDYJDQICEFTO-CABCVRRESA-N 1 1 329.448 0.772 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000987951715 751383050 /nfs/dbraw/zinc/38/30/50/751383050.db2.gz SSVGZYVMMALYFG-HOTGVXAUSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000987951715 751383057 /nfs/dbraw/zinc/38/30/57/751383057.db2.gz SSVGZYVMMALYFG-HOTGVXAUSA-N 1 1 349.475 0.552 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001023605867 737068415 /nfs/dbraw/zinc/06/84/15/737068415.db2.gz LNMMRSDXIAHOKE-LSDHHAIUSA-N 1 1 330.436 0.477 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnnn3C)C2)nn1 ZINC001023637062 737123666 /nfs/dbraw/zinc/12/36/66/737123666.db2.gz CDBYGLVBHUBSTA-CYBMUJFWSA-N 1 1 344.423 0.235 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnnn3C)C2)nn1 ZINC001023637062 737123669 /nfs/dbraw/zinc/12/36/69/737123669.db2.gz CDBYGLVBHUBSTA-CYBMUJFWSA-N 1 1 344.423 0.235 20 30 ECEDMO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972628247 737153359 /nfs/dbraw/zinc/15/33/59/737153359.db2.gz PKKGKUKPIZLWSC-QAPCUYQASA-N 1 1 335.448 0.877 20 30 ECEDMO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972628247 737153362 /nfs/dbraw/zinc/15/33/62/737153362.db2.gz PKKGKUKPIZLWSC-QAPCUYQASA-N 1 1 335.448 0.877 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3cccnn3)C2)C1=O ZINC001023667890 737167238 /nfs/dbraw/zinc/16/72/38/737167238.db2.gz LCFQAOVPOKHQDJ-HOCLYGCPSA-N 1 1 343.431 0.705 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001023707191 737224282 /nfs/dbraw/zinc/22/42/82/737224282.db2.gz LUSDVQSKNNCZSJ-CYBMUJFWSA-N 1 1 330.388 0.021 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001023707191 737224287 /nfs/dbraw/zinc/22/42/87/737224287.db2.gz LUSDVQSKNNCZSJ-CYBMUJFWSA-N 1 1 330.388 0.021 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)nc1 ZINC001023709088 737227040 /nfs/dbraw/zinc/22/70/40/737227040.db2.gz OFVZVILOTYMEDI-INIZCTEOSA-N 1 1 340.427 0.737 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001023709934 737227957 /nfs/dbraw/zinc/22/79/57/737227957.db2.gz FFTXUMULEZIECU-CJNGLKHVSA-N 1 1 326.400 0.393 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)cn1 ZINC001023709823 737228482 /nfs/dbraw/zinc/22/84/82/737228482.db2.gz CJGPSTOYSNGENW-GJZGRUSLSA-N 1 1 342.443 0.981 20 30 ECEDMO Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)cn1 ZINC001111591168 737244929 /nfs/dbraw/zinc/24/49/29/737244929.db2.gz KKLZWJCZKQJWNB-YJBOKZPZSA-N 1 1 341.415 0.614 20 30 ECEDMO Cc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)cn1 ZINC001111591168 737244932 /nfs/dbraw/zinc/24/49/32/737244932.db2.gz KKLZWJCZKQJWNB-YJBOKZPZSA-N 1 1 341.415 0.614 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972658387 737268107 /nfs/dbraw/zinc/26/81/07/737268107.db2.gz FHIDSGQREXOMEO-YJBOKZPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC000972664625 737287050 /nfs/dbraw/zinc/28/70/50/737287050.db2.gz QDHVIDJCBJNRLQ-GOSISDBHSA-N 1 1 346.431 0.663 20 30 ECEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972675148 737347343 /nfs/dbraw/zinc/34/73/43/737347343.db2.gz WBARARVCRQQMEF-GOSISDBHSA-N 1 1 335.448 0.878 20 30 ECEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972675148 737347349 /nfs/dbraw/zinc/34/73/49/737347349.db2.gz WBARARVCRQQMEF-GOSISDBHSA-N 1 1 335.448 0.878 20 30 ECEDMO O=C(NCC#CCO)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000923774305 737383063 /nfs/dbraw/zinc/38/30/63/737383063.db2.gz VHZFMRWEGXEJNZ-KRWDZBQOSA-N 1 1 331.416 0.438 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001023800773 737409466 /nfs/dbraw/zinc/40/94/66/737409466.db2.gz FISZQFCQZNLQQJ-CPUCHLNUSA-N 1 1 334.420 0.482 20 30 ECEDMO COCc1noc(C[NH2+]C[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001023979750 737577928 /nfs/dbraw/zinc/57/79/28/737577928.db2.gz SESDFJHGUDCBQR-AWEZNQCLSA-N 1 1 332.404 0.958 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCCNC3=O)C2)nc1 ZINC000972751818 737593982 /nfs/dbraw/zinc/59/39/82/737593982.db2.gz LHIKIOZLVTVJKJ-ZBFHGGJFSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C[C@H]21 ZINC000972842508 737764148 /nfs/dbraw/zinc/76/41/48/737764148.db2.gz DGEPRVDGKDXWQH-OVYGPGRDSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C[C@H]21 ZINC000972842508 737764150 /nfs/dbraw/zinc/76/41/50/737764150.db2.gz DGEPRVDGKDXWQH-OVYGPGRDSA-N 1 1 329.444 0.799 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001114949990 737915573 /nfs/dbraw/zinc/91/55/73/737915573.db2.gz SIKYMVXFYBKSTB-DTJSUFBGSA-N 1 1 345.443 0.154 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001114949990 737915575 /nfs/dbraw/zinc/91/55/75/737915575.db2.gz SIKYMVXFYBKSTB-DTJSUFBGSA-N 1 1 345.443 0.154 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1nnc(C)[nH]1 ZINC001024486614 738013842 /nfs/dbraw/zinc/01/38/42/738013842.db2.gz CRHUKLUUQCSUTF-HOTGVXAUSA-N 1 1 344.463 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1nnc(C)[nH]1 ZINC001024486614 738013846 /nfs/dbraw/zinc/01/38/46/738013846.db2.gz CRHUKLUUQCSUTF-HOTGVXAUSA-N 1 1 344.463 0.681 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1nonc1C ZINC001024486732 738014029 /nfs/dbraw/zinc/01/40/29/738014029.db2.gz HGHREUXHUGORBZ-WBVHZDCISA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1nonc1C ZINC001024486732 738014031 /nfs/dbraw/zinc/01/40/31/738014031.db2.gz HGHREUXHUGORBZ-WBVHZDCISA-N 1 1 345.447 0.946 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1cnon1 ZINC001024487726 738015110 /nfs/dbraw/zinc/01/51/10/738015110.db2.gz RVYQXLLAJQZNBG-HOTGVXAUSA-N 1 1 331.420 0.638 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1cnon1 ZINC001024487726 738015114 /nfs/dbraw/zinc/01/51/14/738015114.db2.gz RVYQXLLAJQZNBG-HOTGVXAUSA-N 1 1 331.420 0.638 20 30 ECEDMO C=CC(C)(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039761098 738045733 /nfs/dbraw/zinc/04/57/33/738045733.db2.gz YSZTWCJPFCWTOI-RDTXWAMCSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001024515135 738049080 /nfs/dbraw/zinc/04/90/80/738049080.db2.gz MHVVIXLXGOUUCO-KBPBESRZSA-N 1 1 331.420 0.540 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCOCC3)C(C)(C)[C@@H]21 ZINC001087281391 738092222 /nfs/dbraw/zinc/09/22/22/738092222.db2.gz GJJNBRVQSRXGIL-KBAYOESNSA-N 1 1 333.476 0.947 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001024588718 738139379 /nfs/dbraw/zinc/13/93/79/738139379.db2.gz DLBAJOPPGIEZHI-KBPBESRZSA-N 1 1 346.435 0.484 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2[nH]nnc2C)C1=O ZINC001024588718 738139380 /nfs/dbraw/zinc/13/93/80/738139380.db2.gz DLBAJOPPGIEZHI-KBPBESRZSA-N 1 1 346.435 0.484 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cn(C)c(=O)cn3)C(C)(C)[C@H]21 ZINC001087297415 738153548 /nfs/dbraw/zinc/15/35/48/738153548.db2.gz OIEOTFZWBPWHKD-WQVCFCJDSA-N 1 1 328.416 0.632 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN3CCNC(=O)C3)C(C)(C)[C@H]21 ZINC001087298192 738156200 /nfs/dbraw/zinc/15/62/00/738156200.db2.gz AZBYPNYDTWAECO-COXVUDFISA-N 1 1 334.464 0.209 20 30 ECEDMO O=C(NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CNC(=O)N1 ZINC001024626039 738182159 /nfs/dbraw/zinc/18/21/59/738182159.db2.gz AUHUOOOBRYYGJX-SJORKVTESA-N 1 1 340.427 0.690 20 30 ECEDMO O=C(NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1)[C@@H]1CNC(=O)N1 ZINC001024626039 738182162 /nfs/dbraw/zinc/18/21/62/738182162.db2.gz AUHUOOOBRYYGJX-SJORKVTESA-N 1 1 340.427 0.690 20 30 ECEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001024686225 738219129 /nfs/dbraw/zinc/21/91/29/738219129.db2.gz YXFXLQBJYCMYEV-CYBMUJFWSA-N 1 1 334.420 0.244 20 30 ECEDMO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C1CCS(=O)(=O)CC1 ZINC001024690551 738222896 /nfs/dbraw/zinc/22/28/96/738222896.db2.gz XVXPCZBQABISNO-HNNXBMFYSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CCS(=O)(=O)CC1 ZINC001024690551 738222898 /nfs/dbraw/zinc/22/28/98/738222898.db2.gz XVXPCZBQABISNO-HNNXBMFYSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC001087310039 738243675 /nfs/dbraw/zinc/24/36/75/738243675.db2.gz PWBNTPFIRACXIB-XOKHGSTOSA-N 1 1 345.443 0.668 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN3CCC(=O)NC3=O)C(C)(C)[C@H]21 ZINC001087312517 738245581 /nfs/dbraw/zinc/24/55/81/738245581.db2.gz GNOOSUXIIPOBFH-WQVCFCJDSA-N 1 1 348.447 0.720 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(=O)n(C)cn1 ZINC001025243230 738918574 /nfs/dbraw/zinc/91/85/74/738918574.db2.gz MZMJAHMSIKEMMU-CVEARBPZSA-N 1 1 328.416 0.873 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001025259638 738944957 /nfs/dbraw/zinc/94/49/57/738944957.db2.gz SENRXNTVHNKOGF-IAGOWNOFSA-N 1 1 346.475 0.287 20 30 ECEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001025298520 739019430 /nfs/dbraw/zinc/01/94/30/739019430.db2.gz XYGOJVRUKFBWIF-GJZGRUSLSA-N 1 1 348.447 0.960 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104579730 739042307 /nfs/dbraw/zinc/04/23/07/739042307.db2.gz QEAIBOJHRGSJBU-JSGCOSHPSA-N 1 1 332.408 0.328 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNc2cnc(C#N)cn2)C1 ZINC001104579730 739042308 /nfs/dbraw/zinc/04/23/08/739042308.db2.gz QEAIBOJHRGSJBU-JSGCOSHPSA-N 1 1 332.408 0.328 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001006481631 751432398 /nfs/dbraw/zinc/43/23/98/751432398.db2.gz CYUPCBUBBGTIHH-NSHDSACASA-N 1 1 327.812 0.715 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@@H+]([C@H](C)C(N)=O)C3)c1 ZINC000982002229 751443382 /nfs/dbraw/zinc/44/33/82/751443382.db2.gz MMXZNXITTHJMLN-CYBMUJFWSA-N 1 1 326.400 0.475 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC3(C2)CCC[N@H+]([C@H](C)C(N)=O)C3)c1 ZINC000982002229 751443388 /nfs/dbraw/zinc/44/33/88/751443388.db2.gz MMXZNXITTHJMLN-CYBMUJFWSA-N 1 1 326.400 0.475 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(CCOC)nn2)C1 ZINC001025410998 739430453 /nfs/dbraw/zinc/43/04/53/739430453.db2.gz FEHRUKZDTNCDRG-GJZGRUSLSA-N 1 1 333.436 0.778 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001078232331 782530906 /nfs/dbraw/zinc/53/09/06/782530906.db2.gz NSWYYFCYWXAHFY-FRRDWIJNSA-N 1 1 333.354 0.198 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001078232331 782530915 /nfs/dbraw/zinc/53/09/15/782530915.db2.gz NSWYYFCYWXAHFY-FRRDWIJNSA-N 1 1 333.354 0.198 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001078232332 782531498 /nfs/dbraw/zinc/53/14/98/782531498.db2.gz NSWYYFCYWXAHFY-JHJVBQTASA-N 1 1 333.354 0.198 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001078232332 782531502 /nfs/dbraw/zinc/53/15/02/782531502.db2.gz NSWYYFCYWXAHFY-JHJVBQTASA-N 1 1 333.354 0.198 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC23CCN(c2cnc(C#N)cn2)CC3)C1 ZINC001058636646 739548670 /nfs/dbraw/zinc/54/86/70/739548670.db2.gz OLWTVYVRQVBOSZ-ZFWWWQNUSA-N 1 1 340.431 0.775 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC23CCN(c2nccnc2C#N)CC3)C1 ZINC001058636820 739567983 /nfs/dbraw/zinc/56/79/83/739567983.db2.gz UWBRRDBULCQCAM-HIFRSBDPSA-N 1 1 340.431 0.775 20 30 ECEDMO C=CC[N@H+]1C[C@H]2OCCN(C(=O)COc3cccc(C(N)=O)c3)[C@H]2C1 ZINC001083282530 739650291 /nfs/dbraw/zinc/65/02/91/739650291.db2.gz HZIDRTHFVXVKGV-JKSUJKDBSA-N 1 1 345.399 0.262 20 30 ECEDMO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)COc3cccc(C(N)=O)c3)[C@H]2C1 ZINC001083282530 739650294 /nfs/dbraw/zinc/65/02/94/739650294.db2.gz HZIDRTHFVXVKGV-JKSUJKDBSA-N 1 1 345.399 0.262 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)[C@H]2C1 ZINC001083282609 739651416 /nfs/dbraw/zinc/65/14/16/739651416.db2.gz KXWOHXGYKWHXHZ-OWCLPIDISA-N 1 1 345.447 0.637 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001025533627 739695628 /nfs/dbraw/zinc/69/56/28/739695628.db2.gz FVTURAIBIRHMCO-KBPBESRZSA-N 1 1 330.432 0.814 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC001006513835 751471021 /nfs/dbraw/zinc/47/10/21/751471021.db2.gz ACTWKJNQLUYLCN-GUYCJALGSA-N 1 1 340.427 0.734 20 30 ECEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001025545118 739706645 /nfs/dbraw/zinc/70/66/45/739706645.db2.gz HAKAZFFJQZYLNU-ZIAGYGMSSA-N 1 1 348.447 0.490 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001025629480 739794104 /nfs/dbraw/zinc/79/41/04/739794104.db2.gz HBZKSRUOVHHCOQ-STQMWFEESA-N 1 1 334.424 0.170 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001025704783 739881401 /nfs/dbraw/zinc/88/14/01/739881401.db2.gz CNKOUYABFWZJCT-XPABHHOTSA-N 1 1 345.424 0.975 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCCO2)C1=O ZINC001025740556 739909904 /nfs/dbraw/zinc/90/99/04/739909904.db2.gz SCLGSOATEJIJMA-JKJDWNRSSA-N 1 1 333.432 0.389 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CCC(O)CC2)C1=O ZINC001025761270 739927466 /nfs/dbraw/zinc/92/74/66/739927466.db2.gz CQJIRUCILCMPNW-XZKIIODMSA-N 1 1 347.459 0.371 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3=COCCO3)[C@@H](O)C2)cc1 ZINC001083322428 751504250 /nfs/dbraw/zinc/50/42/50/751504250.db2.gz IABZNKOCJRJRNZ-CABCVRRESA-N 1 1 329.356 0.108 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3=COCCO3)[C@@H](O)C2)cc1 ZINC001083322428 751504251 /nfs/dbraw/zinc/50/42/51/751504251.db2.gz IABZNKOCJRJRNZ-CABCVRRESA-N 1 1 329.356 0.108 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nn1 ZINC001098604636 740148832 /nfs/dbraw/zinc/14/88/32/740148832.db2.gz VBJZMYFHOLCGCL-CVEARBPZSA-N 1 1 349.435 0.523 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2cocn2)C1 ZINC000988088881 751516830 /nfs/dbraw/zinc/51/68/30/751516830.db2.gz RRVXKDQXPDDTTQ-ZBFHGGJFSA-N 1 1 344.415 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2cocn2)C1 ZINC000988088881 751516832 /nfs/dbraw/zinc/51/68/32/751516832.db2.gz RRVXKDQXPDDTTQ-ZBFHGGJFSA-N 1 1 344.415 0.693 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001025937555 740265898 /nfs/dbraw/zinc/26/58/98/740265898.db2.gz OWSNKUAPSXDTTL-SMLCLMEVSA-N 1 1 338.411 0.616 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001025937555 740265902 /nfs/dbraw/zinc/26/59/02/740265902.db2.gz OWSNKUAPSXDTTL-SMLCLMEVSA-N 1 1 338.411 0.616 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2OCC[C@H]2C)C1=O ZINC001026054225 740340805 /nfs/dbraw/zinc/34/08/05/740340805.db2.gz WVLUZDTYTWIONN-RDGWLKQMSA-N 1 1 333.432 0.245 20 30 ECEDMO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001104781842 740486200 /nfs/dbraw/zinc/48/62/00/740486200.db2.gz XATGZOARJFYJQT-IHRRRGAJSA-N 1 1 330.436 0.759 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC000973900988 740563993 /nfs/dbraw/zinc/56/39/93/740563993.db2.gz UHSZEDKYIMQXTO-WCVJEAGWSA-N 1 1 343.431 0.305 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC000973900988 740563998 /nfs/dbraw/zinc/56/39/98/740563998.db2.gz UHSZEDKYIMQXTO-WCVJEAGWSA-N 1 1 343.431 0.305 20 30 ECEDMO C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149135964 740602857 /nfs/dbraw/zinc/60/28/57/740602857.db2.gz BNWLOSFQFLSJFZ-AWEZNQCLSA-N 1 1 326.441 0.608 20 30 ECEDMO C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104869066 740766858 /nfs/dbraw/zinc/76/68/58/740766858.db2.gz OTOJYLWZILMPOH-OUCADQQQSA-N 1 1 332.408 0.326 20 30 ECEDMO C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104869066 740766859 /nfs/dbraw/zinc/76/68/59/740766859.db2.gz OTOJYLWZILMPOH-OUCADQQQSA-N 1 1 332.408 0.326 20 30 ECEDMO C[C@@H](CNc1ccncc1C#N)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001104869396 740767339 /nfs/dbraw/zinc/76/73/39/740767339.db2.gz VAZUOUCCYSNFEM-WOSRLPQWSA-N 1 1 331.420 0.353 20 30 ECEDMO C[C@@H](CNc1ccncc1C#N)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001104869396 740767341 /nfs/dbraw/zinc/76/73/41/740767341.db2.gz VAZUOUCCYSNFEM-WOSRLPQWSA-N 1 1 331.420 0.353 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2csnn2)[C@H]1C ZINC001020421764 751578332 /nfs/dbraw/zinc/57/83/32/751578332.db2.gz KTOSRNUQHQOYFT-OBJOEFQTSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2csnn2)[C@H]1C ZINC001020421764 751578336 /nfs/dbraw/zinc/57/83/36/751578336.db2.gz KTOSRNUQHQOYFT-OBJOEFQTSA-N 1 1 347.444 0.355 20 30 ECEDMO C#CCC[N@H+]1CCCC2(CN(C(=O)C3(S(C)(=O)=O)CCC3)C2)C1 ZINC000982096577 751582851 /nfs/dbraw/zinc/58/28/51/751582851.db2.gz KVNOMXFHKPDXFN-UHFFFAOYSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CCC[N@@H+]1CCCC2(CN(C(=O)C3(S(C)(=O)=O)CCC3)C2)C1 ZINC000982096577 751582856 /nfs/dbraw/zinc/58/28/56/751582856.db2.gz KVNOMXFHKPDXFN-UHFFFAOYSA-N 1 1 338.473 0.901 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nn(C)cc2C)C1 ZINC000974115334 740957296 /nfs/dbraw/zinc/95/72/96/740957296.db2.gz YKKQQMHBOBQOGH-ZNMIVQPWSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nn(C)cc2C)C1 ZINC000974115334 740957299 /nfs/dbraw/zinc/95/72/99/740957299.db2.gz YKKQQMHBOBQOGH-ZNMIVQPWSA-N 1 1 343.431 0.203 20 30 ECEDMO C#CC[NH+]1CCC2(CC1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001098614222 740983701 /nfs/dbraw/zinc/98/37/01/740983701.db2.gz KBPISNXOMGDDQR-HNNXBMFYSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000974152069 741014270 /nfs/dbraw/zinc/01/42/70/741014270.db2.gz ZQQOPYMWQYPHQG-XHSDSOJGSA-N 1 1 343.431 0.053 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)nc1 ZINC001087406192 741158544 /nfs/dbraw/zinc/15/85/44/741158544.db2.gz VEUPONNCLXVOJC-IVSAIRAKSA-N 1 1 338.411 0.331 20 30 ECEDMO N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001059857294 751612875 /nfs/dbraw/zinc/61/28/75/751612875.db2.gz WZVMQVASFKNCLF-QXSJWSMHSA-N 1 1 341.415 0.876 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2csnn2)C1 ZINC000974263418 741193777 /nfs/dbraw/zinc/19/37/77/741193777.db2.gz YIPARIPXCZYUDN-LOWVWBTDSA-N 1 1 333.417 0.013 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2csnn2)C1 ZINC000974263418 741193780 /nfs/dbraw/zinc/19/37/80/741193780.db2.gz YIPARIPXCZYUDN-LOWVWBTDSA-N 1 1 333.417 0.013 20 30 ECEDMO C#CCNC(=O)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC001105039480 741222799 /nfs/dbraw/zinc/22/27/99/741222799.db2.gz BPELJRPEZBNVIR-WFASDCNBSA-N 1 1 343.431 0.882 20 30 ECEDMO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@H]12 ZINC001026397619 741223263 /nfs/dbraw/zinc/22/32/63/741223263.db2.gz OMKSBDNDHYCESR-UHOFOFEASA-N 1 1 338.415 0.884 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+]([C@H](C)C(=O)NC)C3)nc1 ZINC000982122721 751617672 /nfs/dbraw/zinc/61/76/72/751617672.db2.gz OFSHNYONFVPHJA-CQSZACIVSA-N 1 1 340.427 0.735 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1ncnn1CCC ZINC001038369021 741257283 /nfs/dbraw/zinc/25/72/83/741257283.db2.gz SPOVITKPNTUMBZ-CVEARBPZSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1ncnn1CCC ZINC001038369021 741257285 /nfs/dbraw/zinc/25/72/85/741257285.db2.gz SPOVITKPNTUMBZ-CVEARBPZSA-N 1 1 344.463 0.476 20 30 ECEDMO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C2)CC1 ZINC001105062598 741268126 /nfs/dbraw/zinc/26/81/26/741268126.db2.gz ZEFQPFCCRQBDTK-BFYDXBDKSA-N 1 1 348.491 0.280 20 30 ECEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)C2)C1 ZINC000982130196 751627569 /nfs/dbraw/zinc/62/75/69/751627569.db2.gz FDKJTUUCNVETDU-OAHLLOKOSA-N 1 1 341.477 0.569 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]C[C@H](C)OC)nn2)C1 ZINC001105227413 741508488 /nfs/dbraw/zinc/50/84/88/741508488.db2.gz IWEVEASSWKAACF-BLLLJJGKSA-N 1 1 337.424 0.113 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000988189451 751645568 /nfs/dbraw/zinc/64/55/68/751645568.db2.gz VHGJQDOXZPWRSW-CABCVRRESA-N 1 1 337.464 0.836 20 30 ECEDMO C=CC(C)(C)C(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000988189451 751645575 /nfs/dbraw/zinc/64/55/75/751645575.db2.gz VHGJQDOXZPWRSW-CABCVRRESA-N 1 1 337.464 0.836 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccn(C)n3)C2)nn1 ZINC001105251953 741560590 /nfs/dbraw/zinc/56/05/90/741560590.db2.gz ARQLANGJBUVSAR-UHFFFAOYSA-N 1 1 329.408 0.303 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cc(OC)no3)C2)nn1 ZINC001105252371 741561696 /nfs/dbraw/zinc/56/16/96/741561696.db2.gz NNIUBZAICIITNA-UHFFFAOYSA-N 1 1 346.391 0.566 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCNC(=O)[C@@H]3C[C@H]3C)C2)nn1 ZINC001105253764 741567001 /nfs/dbraw/zinc/56/70/01/741567001.db2.gz CJOUWFWHBPCMFB-IUODEOHRSA-N 1 1 346.435 0.099 20 30 ECEDMO C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)nn1 ZINC001105259916 741583154 /nfs/dbraw/zinc/58/31/54/741583154.db2.gz RQHYEJIVGAEVHP-HNNXBMFYSA-N 1 1 339.403 0.158 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H](C)CO3)C2)nn1 ZINC001105285186 741644941 /nfs/dbraw/zinc/64/49/41/741644941.db2.gz HJFIAEOZOAVZMC-BBRMVZONSA-N 1 1 349.435 0.379 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@]3(COC)CCOC3)C2)nn1 ZINC001105292389 741656270 /nfs/dbraw/zinc/65/62/70/741656270.db2.gz NCHAICOAXFQFFW-KRWDZBQOSA-N 1 1 349.435 0.380 20 30 ECEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)CCCF)C2)nn1 ZINC001105305914 741707333 /nfs/dbraw/zinc/70/73/33/741707333.db2.gz SXPLTKAQRSJMIT-UHFFFAOYSA-N 1 1 325.388 0.703 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC000982154156 751662066 /nfs/dbraw/zinc/66/20/66/751662066.db2.gz ULBJFTNZLYCZHR-LBPRGKRZSA-N 1 1 347.868 0.355 20 30 ECEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC000982154156 751662072 /nfs/dbraw/zinc/66/20/72/751662072.db2.gz ULBJFTNZLYCZHR-LBPRGKRZSA-N 1 1 347.868 0.355 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ncccc3OC)C2)nn1 ZINC001105312258 741723414 /nfs/dbraw/zinc/72/34/14/741723414.db2.gz HNICOLSBCLIMGE-UHFFFAOYSA-N 1 1 342.403 0.583 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001058729523 741733416 /nfs/dbraw/zinc/73/34/16/741733416.db2.gz MGFMPVNAAZRGIK-WMLDXEAASA-N 1 1 325.453 0.620 20 30 ECEDMO C=CCCNCc1cn(C2CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001105314170 741734644 /nfs/dbraw/zinc/73/46/44/741734644.db2.gz NKQHVLCXRNWEJI-UHFFFAOYSA-N 1 1 332.452 0.669 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)CCc1cnc[nH]1 ZINC001058730835 741757330 /nfs/dbraw/zinc/75/73/30/741757330.db2.gz KCSJNMDADZIETJ-QGZVFWFLSA-N 1 1 336.436 0.882 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058730659 741762748 /nfs/dbraw/zinc/76/27/48/741762748.db2.gz DCQLEYKNUPNVOE-RHSMWYFYSA-N 1 1 325.453 0.478 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)cc1F ZINC001006687094 751674248 /nfs/dbraw/zinc/67/42/48/751674248.db2.gz WRSZRRGYWMLAIX-AWEZNQCLSA-N 1 1 343.366 0.465 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)cc1F ZINC001006687094 751674254 /nfs/dbraw/zinc/67/42/54/751674254.db2.gz WRSZRRGYWMLAIX-AWEZNQCLSA-N 1 1 343.366 0.465 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(C)(C)C1 ZINC000974650235 741969212 /nfs/dbraw/zinc/96/92/12/741969212.db2.gz AYPPHGLOSMKTLV-AWEZNQCLSA-N 1 1 348.447 0.340 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2cncn2C)CC1(C)C ZINC000974688600 742008259 /nfs/dbraw/zinc/00/82/59/742008259.db2.gz BICVAOGZVXYAMD-IRXDYDNUSA-N 1 1 343.475 0.844 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2cncn2C)CC1(C)C ZINC000974688600 742008266 /nfs/dbraw/zinc/00/82/66/742008266.db2.gz BICVAOGZVXYAMD-IRXDYDNUSA-N 1 1 343.475 0.844 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C(C)(C)C1 ZINC000974738601 742137597 /nfs/dbraw/zinc/13/75/97/742137597.db2.gz CNWRDSKYIBDZAA-CHWSQXEVSA-N 1 1 331.420 0.396 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826148 742225241 /nfs/dbraw/zinc/22/52/41/742225241.db2.gz NPIUJHADHRAABH-YJTLQXIOSA-N 1 1 331.460 0.700 20 30 ECEDMO CC#CCN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826148 742225244 /nfs/dbraw/zinc/22/52/44/742225244.db2.gz NPIUJHADHRAABH-YJTLQXIOSA-N 1 1 331.460 0.700 20 30 ECEDMO COc1ccc(CN2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1C#N ZINC001030154118 761886058 /nfs/dbraw/zinc/88/60/58/761886058.db2.gz FWXVJZDMPARUGA-INIZCTEOSA-N 1 1 328.416 0.961 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C(C)(C)C1 ZINC000974979887 742402694 /nfs/dbraw/zinc/40/26/94/742402694.db2.gz DEUHHFLKSSDPTK-XJKSGUPXSA-N 1 1 329.448 0.770 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000975212542 742609786 /nfs/dbraw/zinc/60/97/86/742609786.db2.gz GEGAWRHPSDNLCM-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000975226643 742621279 /nfs/dbraw/zinc/62/12/79/742621279.db2.gz XFSUOUWAGAISDF-CJNGLKHVSA-N 1 1 343.431 0.949 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000975285594 742670767 /nfs/dbraw/zinc/67/07/67/742670767.db2.gz WQJOJMMOIAJBMP-UONOGXRCSA-N 1 1 343.431 0.806 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000975364012 742754983 /nfs/dbraw/zinc/75/49/83/742754983.db2.gz XLUVABLOYAJMTP-PMPSAXMXSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000975364012 742754985 /nfs/dbraw/zinc/75/49/85/742754985.db2.gz XLUVABLOYAJMTP-PMPSAXMXSA-N 1 1 335.448 0.474 20 30 ECEDMO N#Cc1cc(C(=O)NCC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c[nH]1 ZINC001125988528 742941529 /nfs/dbraw/zinc/94/15/29/742941529.db2.gz YFTXCLIRAGRBAI-CQSZACIVSA-N 1 1 329.335 0.571 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC000937396307 743058564 /nfs/dbraw/zinc/05/85/64/743058564.db2.gz GPPDUXWBDUWWQR-ROUUACIJSA-N 1 1 341.455 0.995 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC000937396307 743058573 /nfs/dbraw/zinc/05/85/73/743058573.db2.gz GPPDUXWBDUWWQR-ROUUACIJSA-N 1 1 341.455 0.995 20 30 ECEDMO C[NH+]=C(NC[C@H]1CCN(C2CC2)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261957685 743139305 /nfs/dbraw/zinc/13/93/05/743139305.db2.gz JHKDUOJGVUTLPZ-CYBMUJFWSA-N 1 1 342.509 0.555 20 30 ECEDMO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)cn1 ZINC000997103408 743239953 /nfs/dbraw/zinc/23/99/53/743239953.db2.gz IKMSXMMOFUTQMV-KRWDZBQOSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](CNCc3ncccn3)C2)CC1 ZINC001027233541 743244242 /nfs/dbraw/zinc/24/42/42/743244242.db2.gz DPZSRAZLMPTUIP-MRXNPFEDSA-N 1 1 341.459 0.760 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](CNCc3nnc(C)o3)C2)CC1 ZINC001027234021 743245811 /nfs/dbraw/zinc/24/58/11/743245811.db2.gz OFSJEYRFLVSOFB-OAHLLOKOSA-N 1 1 345.447 0.661 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001059170733 743543316 /nfs/dbraw/zinc/54/33/16/743543316.db2.gz ONCJFMDYJUZUTC-OBJOEFQTSA-N 1 1 349.822 0.996 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3Cl)C2)C1 ZINC001059170733 743543318 /nfs/dbraw/zinc/54/33/18/743543318.db2.gz ONCJFMDYJUZUTC-OBJOEFQTSA-N 1 1 349.822 0.996 20 30 ECEDMO C#CCCCC(=O)NCC[NH2+]Cc1nnnn1-c1ccc(OC)cc1 ZINC001126339003 751852347 /nfs/dbraw/zinc/85/23/47/751852347.db2.gz OGOSNMZFCXTVTA-UHFFFAOYSA-N 1 1 342.403 0.680 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000976310457 743818251 /nfs/dbraw/zinc/81/82/51/743818251.db2.gz LJKDFLDQBPPZLM-TWMKSMIVSA-N 1 1 347.459 0.636 20 30 ECEDMO C=C1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000976310457 743818256 /nfs/dbraw/zinc/81/82/56/743818256.db2.gz LJKDFLDQBPPZLM-TWMKSMIVSA-N 1 1 347.459 0.636 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000998136212 743999130 /nfs/dbraw/zinc/99/91/30/743999130.db2.gz SBGQGTWRDXCNQH-KBPBESRZSA-N 1 1 334.420 0.311 20 30 ECEDMO C[N@@H+]([C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@H]1CCC(=O)NC1=O ZINC001027371506 744015777 /nfs/dbraw/zinc/01/57/77/744015777.db2.gz DAIZYRXMZJWUQE-JSGCOSHPSA-N 1 1 343.387 0.228 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1C(F)(F)F ZINC000998253726 744079225 /nfs/dbraw/zinc/07/92/25/744079225.db2.gz XUBZSQYPXAXMEE-RKDXNWHRSA-N 1 1 327.734 0.983 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2C)nc1 ZINC000976541066 744082279 /nfs/dbraw/zinc/08/22/79/744082279.db2.gz FYPAJOPEPGTMNB-HWWDLCQESA-N 1 1 349.394 0.455 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)CC[N@H+]1C ZINC000976595932 744120962 /nfs/dbraw/zinc/12/09/62/744120962.db2.gz OBHAYOTWQCQCKQ-UYLCMAPUSA-N 1 1 341.415 0.413 20 30 ECEDMO C[N@@H+](CCN1C(=O)CCC1=O)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027401088 744171969 /nfs/dbraw/zinc/17/19/69/744171969.db2.gz AQBOIPITEZZOSO-OAHLLOKOSA-N 1 1 331.416 0.472 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C2CC2)CC1 ZINC000976690235 744205365 /nfs/dbraw/zinc/20/53/65/744205365.db2.gz YEGWBWXZWSBVDX-VVLHAWIVSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C2CC2)CC1 ZINC000976690235 744205368 /nfs/dbraw/zinc/20/53/68/744205368.db2.gz YEGWBWXZWSBVDX-VVLHAWIVSA-N 1 1 341.455 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3oncc3C)C[C@H]21 ZINC000976735633 744260412 /nfs/dbraw/zinc/26/04/12/744260412.db2.gz JOKPQCKJVHDAKZ-LJISPDSOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3oncc3C)C[C@H]21 ZINC000976735633 744260414 /nfs/dbraw/zinc/26/04/14/744260414.db2.gz JOKPQCKJVHDAKZ-LJISPDSOSA-N 1 1 342.399 0.267 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)C3CC3)C[C@H]21 ZINC000976739054 744264954 /nfs/dbraw/zinc/26/49/54/744264954.db2.gz HHWBMNOQKCOHKZ-ZUOZUFPHSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)C3CC3)C[C@H]21 ZINC000976739054 744264957 /nfs/dbraw/zinc/26/49/57/744264957.db2.gz HHWBMNOQKCOHKZ-ZUOZUFPHSA-N 1 1 329.444 0.703 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](CC)SC)C[C@H]21 ZINC000976741100 744276798 /nfs/dbraw/zinc/27/67/98/744276798.db2.gz OQCPPBAOXMYHDG-XFIYOXNOSA-N 1 1 349.500 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](CC)SC)C[C@H]21 ZINC000976741100 744276800 /nfs/dbraw/zinc/27/68/00/744276800.db2.gz OQCPPBAOXMYHDG-XFIYOXNOSA-N 1 1 349.500 0.799 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2CC(F)F)C1 ZINC000998748167 744313043 /nfs/dbraw/zinc/31/30/43/744313043.db2.gz VMMQELGRJVQIAM-GHMZBOCLSA-N 1 1 326.351 0.783 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000976867727 744423402 /nfs/dbraw/zinc/42/34/02/744423402.db2.gz LWFRLVWGLXQVRZ-ICELYOSQSA-N 1 1 347.459 0.492 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cncnc3C)C2)nn1 ZINC001098625617 744437164 /nfs/dbraw/zinc/43/71/64/744437164.db2.gz FSBKYMJQNLJKCP-CQSZACIVSA-N 1 1 327.392 0.739 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC000998976946 744444455 /nfs/dbraw/zinc/44/44/55/744444455.db2.gz UNNPPLHJBWVEAO-CYBMUJFWSA-N 1 1 327.392 0.892 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001028249568 751921480 /nfs/dbraw/zinc/92/14/80/751921480.db2.gz KRNBDDQXDYTWNK-OAHLLOKOSA-N 1 1 331.420 0.847 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccs1 ZINC000977049510 744613744 /nfs/dbraw/zinc/61/37/44/744613744.db2.gz SWMJUXRPIBZJFR-RFQIPJPRSA-N 1 1 344.440 0.427 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccs1 ZINC000977049510 744613746 /nfs/dbraw/zinc/61/37/46/744613746.db2.gz SWMJUXRPIBZJFR-RFQIPJPRSA-N 1 1 344.440 0.427 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CN(C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC000999318828 744622834 /nfs/dbraw/zinc/62/28/34/744622834.db2.gz FWDOOGZXSXDSRR-UHFFFAOYSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ncccn2)C1 ZINC000999391337 744671490 /nfs/dbraw/zinc/67/14/90/744671490.db2.gz KUFNQVQDQUHFDZ-CVEARBPZSA-N 1 1 327.432 0.655 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ncccn2)C1 ZINC000999391337 744671494 /nfs/dbraw/zinc/67/14/94/744671494.db2.gz KUFNQVQDQUHFDZ-CVEARBPZSA-N 1 1 327.432 0.655 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000977197001 744749144 /nfs/dbraw/zinc/74/91/44/744749144.db2.gz OTLNMCDVOQRGKK-UDOHHAEJSA-N 1 1 347.459 0.635 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000977206972 744767988 /nfs/dbraw/zinc/76/79/88/744767988.db2.gz HKQCHGMKTSWAFV-YRSMIWHRSA-N 1 1 341.415 0.271 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000977198973 744774934 /nfs/dbraw/zinc/77/49/34/744774934.db2.gz KDVXEVDJOVGURO-HVOFVXBASA-N 1 1 341.415 0.557 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnns3)C2)nn1 ZINC001098626138 744798507 /nfs/dbraw/zinc/79/85/07/744798507.db2.gz LRDGXYQNZHQYRO-LBPRGKRZSA-N 1 1 333.421 0.883 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)CC2(C)C)nn1 ZINC000977270488 744825867 /nfs/dbraw/zinc/82/58/67/744825867.db2.gz BPQOTSHXQICVSX-CQSZACIVSA-N 1 1 344.423 0.196 20 30 ECEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 ZINC000977325085 744868843 /nfs/dbraw/zinc/86/88/43/744868843.db2.gz JAGLAOPZAHYDQR-STQMWFEESA-N 1 1 329.466 0.423 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CC(=O)N(C)C)CC1(C)C ZINC000977326048 744869215 /nfs/dbraw/zinc/86/92/15/744869215.db2.gz KTRWFMRWBZCDKY-DZKIICNBSA-N 1 1 337.464 0.882 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](CC(=O)N(C)C)CC1(C)C ZINC000977326048 744869217 /nfs/dbraw/zinc/86/92/17/744869217.db2.gz KTRWFMRWBZCDKY-DZKIICNBSA-N 1 1 337.464 0.882 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C(C)(C)C1 ZINC000977330404 744873138 /nfs/dbraw/zinc/87/31/38/744873138.db2.gz SSSRGTBWKQDLIZ-CYBMUJFWSA-N 1 1 327.388 0.898 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1C ZINC001088565500 751955261 /nfs/dbraw/zinc/95/52/61/751955261.db2.gz RGOHSRXHAWZGRE-IPYPFGDCSA-N 1 1 329.404 0.365 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000999865597 744963537 /nfs/dbraw/zinc/96/35/37/744963537.db2.gz UWCDJSVDQKPZKN-ZDUSSCGKSA-N 1 1 326.400 0.345 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cscn1 ZINC000977454457 745013639 /nfs/dbraw/zinc/01/36/39/745013639.db2.gz IHZHQLSLQYPJIT-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cscn1 ZINC000977454457 745013645 /nfs/dbraw/zinc/01/36/45/745013645.db2.gz IHZHQLSLQYPJIT-ZFWWWQNUSA-N 1 1 346.456 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3cnn(C)c3)C2)C1=O ZINC001006906866 751963865 /nfs/dbraw/zinc/96/38/65/751963865.db2.gz PNSHDFYPXITXIJ-JKSUJKDBSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3cnn(C)c3)C2)C1=O ZINC001006906866 751963871 /nfs/dbraw/zinc/96/38/71/751963871.db2.gz PNSHDFYPXITXIJ-JKSUJKDBSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCn1cccc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000999905181 745043514 /nfs/dbraw/zinc/04/35/14/745043514.db2.gz QWBPEXDLUSREKD-HIFRSBDPSA-N 1 1 330.432 0.812 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cccc(=O)[nH]3)nn2)C1 ZINC000999969414 745115107 /nfs/dbraw/zinc/11/51/07/745115107.db2.gz CGVWGXFAASNMEZ-CYBMUJFWSA-N 1 1 328.376 0.742 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc(C)ncn3)nn2)C1 ZINC000999973597 745122634 /nfs/dbraw/zinc/12/26/34/745122634.db2.gz GSNQUIWHYPCODK-AWEZNQCLSA-N 1 1 327.392 0.739 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(C)ncn3)nn2)C1 ZINC000999974327 745123554 /nfs/dbraw/zinc/12/35/54/745123554.db2.gz KJVVBZAHMGDGLY-OAHLLOKOSA-N 1 1 339.403 0.577 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC000999975995 745124542 /nfs/dbraw/zinc/12/45/42/745124542.db2.gz SNHBZIHBICSFKM-MRXNPFEDSA-N 1 1 337.387 0.678 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 ZINC000999976857 745125385 /nfs/dbraw/zinc/12/53/85/745125385.db2.gz XRVNXWYQEMSVJN-CQSZACIVSA-N 1 1 329.408 0.765 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccn(C)c3)nn2)C1 ZINC000999980843 745131652 /nfs/dbraw/zinc/13/16/52/745131652.db2.gz OHLZTJVVVHQBAK-INIZCTEOSA-N 1 1 326.404 0.817 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cn4c(n3)CCC4)nn2)C1 ZINC000999986246 745140265 /nfs/dbraw/zinc/14/02/65/745140265.db2.gz GLWZQRBRFLQTQZ-CQSZACIVSA-N 1 1 341.419 0.784 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)CC2(C)C)nc1 ZINC000977523461 745141823 /nfs/dbraw/zinc/14/18/23/745141823.db2.gz IWTXUJUEBOGQNG-MRXNPFEDSA-N 1 1 338.415 0.795 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)C3CCC(O)CC3)nn2)C1 ZINC000999987234 745141882 /nfs/dbraw/zinc/14/18/82/745141882.db2.gz WWZPBUKPTWEYSI-ARWYELJZSA-N 1 1 345.447 0.716 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc(C)nn3)nn2)C1 ZINC000999989869 745146532 /nfs/dbraw/zinc/14/65/32/745146532.db2.gz HSGOHPYWQFDQQB-AWEZNQCLSA-N 1 1 327.392 0.739 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cn[nH]c(=O)c3)nn2)C1 ZINC000999992696 745150398 /nfs/dbraw/zinc/15/03/98/745150398.db2.gz PIVHELDAOYGWLW-CQSZACIVSA-N 1 1 343.391 0.527 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3c(C)ncn3C)nn2)C1 ZINC000999993235 745151330 /nfs/dbraw/zinc/15/13/30/745151330.db2.gz RMYXXMLZDTWUSY-OAHLLOKOSA-N 1 1 341.419 0.520 20 30 ECEDMO C[N@H+]1CCCC[C@H]1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 ZINC000999995713 745154921 /nfs/dbraw/zinc/15/49/21/745154921.db2.gz HHDPJRBTWZFJBD-GJZGRUSLSA-N 1 1 331.424 0.149 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CC(OC)C3)nn2)C1 ZINC000999996225 745155567 /nfs/dbraw/zinc/15/55/67/745155567.db2.gz IVVXAMCVTSHVSV-OGVSOVDVSA-N 1 1 331.420 0.589 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc(OCC)n[nH]3)nn2)C1 ZINC000999998895 745160158 /nfs/dbraw/zinc/16/01/58/745160158.db2.gz VCJYATKLHUPZDB-CYBMUJFWSA-N 1 1 343.391 0.210 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc4c[nH]ccc-4n3)nn2)C1 ZINC000999998906 745160190 /nfs/dbraw/zinc/16/01/90/745160190.db2.gz VHVPURSSSPRHPH-OAHLLOKOSA-N 1 1 349.398 0.964 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3snnc3CC)nn2)C1 ZINC001000001108 745163551 /nfs/dbraw/zinc/16/35/51/745163551.db2.gz BBQCRKWOQUVIFO-GFCCVEGCSA-N 1 1 345.432 0.502 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3coc(C(N)=O)c3)nn2)C1 ZINC001000003347 745168521 /nfs/dbraw/zinc/16/85/21/745168521.db2.gz XWCOYJWIDZYTQP-CYBMUJFWSA-N 1 1 344.375 0.333 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cccc4c[nH]nc43)nn2)C1 ZINC001000008722 745176667 /nfs/dbraw/zinc/17/66/67/745176667.db2.gz LAQDTYAYEWKKHO-OAHLLOKOSA-N 1 1 349.398 0.964 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3c(C)cnn3C)nn2)C1 ZINC001000015634 745185194 /nfs/dbraw/zinc/18/51/94/745185194.db2.gz OHFUIWLFYTXAMK-HNNXBMFYSA-N 1 1 341.419 0.520 20 30 ECEDMO C#Cc1ccc(C(=O)NCc2cn([C@H]3CC[N@H+](CCO)C3)nn2)cc1 ZINC001000015673 745185367 /nfs/dbraw/zinc/18/53/67/745185367.db2.gz OWPKJIJLIFJDBH-KRWDZBQOSA-N 1 1 339.399 0.429 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc(OC)nn3)nn2)C1 ZINC001000032934 745206802 /nfs/dbraw/zinc/20/68/02/745206802.db2.gz FRKQDNCHQYAMCD-CYBMUJFWSA-N 1 1 343.391 0.440 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn(CC)nn3)nn2)C1 ZINC001000035049 745210186 /nfs/dbraw/zinc/21/01/86/745210186.db2.gz JVKHYZCKJYGUDN-CQSZACIVSA-N 1 1 344.423 0.642 20 30 ECEDMO C=CCn1cc(C(=O)NCc2cn([C@H]3CC[N@@H+](CC=C)C3)nn2)nn1 ZINC001000034553 745210382 /nfs/dbraw/zinc/21/03/82/745210382.db2.gz WOBREHNIDXMXIG-AWEZNQCLSA-N 1 1 342.407 0.418 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C(F)F)C1 ZINC000983753684 745212484 /nfs/dbraw/zinc/21/24/84/745212484.db2.gz ZJOIQTZFOVQFKU-STQMWFEESA-N 1 1 327.375 0.799 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C(F)F)C1 ZINC000983753684 745212487 /nfs/dbraw/zinc/21/24/87/745212487.db2.gz ZJOIQTZFOVQFKU-STQMWFEESA-N 1 1 327.375 0.799 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCN(C(C)=O)C3)nn2)C1 ZINC001000042759 745222096 /nfs/dbraw/zinc/22/20/96/745222096.db2.gz HDMSKOGDPMSLNZ-GOEBONIOSA-N 1 1 346.435 0.196 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC000977586011 745246223 /nfs/dbraw/zinc/24/62/23/745246223.db2.gz UMNJKMNDAPMIQB-OAHLLOKOSA-N 1 1 340.387 0.764 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000977604048 745255683 /nfs/dbraw/zinc/25/56/83/745255683.db2.gz PYLORYCEUHSTSM-QWHCGFSZSA-N 1 1 329.466 0.471 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C3CCOCC3)C2)nn1 ZINC001105385111 745262188 /nfs/dbraw/zinc/26/21/88/745262188.db2.gz VENYWSAYHVIPJK-CYBMUJFWSA-N 1 1 333.436 1.000 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC001149316586 745289173 /nfs/dbraw/zinc/28/91/73/745289173.db2.gz DYEBSGMVEHYUGV-NSHDSACASA-N 1 1 337.342 0.448 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC001149316586 745289175 /nfs/dbraw/zinc/28/91/75/745289175.db2.gz DYEBSGMVEHYUGV-NSHDSACASA-N 1 1 337.342 0.448 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3ccnc3)C(C)(C)C2)C1=O ZINC000977646736 745332488 /nfs/dbraw/zinc/33/24/88/745332488.db2.gz NFIQXNCMXJFIRG-HUUCEWRRSA-N 1 1 345.447 0.497 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001000232032 745368673 /nfs/dbraw/zinc/36/86/73/745368673.db2.gz MKRGKUNXYVEQBB-YUELXQCFSA-N 1 1 346.435 0.680 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC001000233282 745370965 /nfs/dbraw/zinc/37/09/65/745370965.db2.gz SNDVSHIGOCFUDM-ZNMIVQPWSA-N 1 1 333.436 0.970 20 30 ECEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027551783 745397501 /nfs/dbraw/zinc/39/75/01/745397501.db2.gz QQWGLWGSZUAXCH-JKSUJKDBSA-N 1 1 341.415 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001000377501 745462091 /nfs/dbraw/zinc/46/20/91/745462091.db2.gz YZMAWVRBSSTECJ-OAGGEKHMSA-N 1 1 341.411 0.808 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001000377501 745462096 /nfs/dbraw/zinc/46/20/96/745462096.db2.gz YZMAWVRBSSTECJ-OAGGEKHMSA-N 1 1 341.411 0.808 20 30 ECEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)[nH]1 ZINC001083413164 745485105 /nfs/dbraw/zinc/48/51/05/745485105.db2.gz BUMNHTDIDLXRCL-CVEARBPZSA-N 1 1 332.404 0.478 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CCC[C@H]1C)c1ccnc(C#N)n1 ZINC001126513627 745553819 /nfs/dbraw/zinc/55/38/19/745553819.db2.gz SJTZAGFYIJICBA-CQSZACIVSA-N 1 1 346.435 0.402 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCCN(C)C2=O)nc1 ZINC001028269024 752015698 /nfs/dbraw/zinc/01/56/98/752015698.db2.gz DHRHLOJQYCLAAH-WBVHZDCISA-N 1 1 340.427 0.878 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@@H+]([C@H]3CCC(=O)NC3=O)CC2)c[nH]1 ZINC001000600604 745627169 /nfs/dbraw/zinc/62/71/69/745627169.db2.gz ZFOAYDFWIVSUNW-AWEZNQCLSA-N 1 1 341.371 0.053 20 30 ECEDMO N#Cc1cc(C(=O)NCC2=CC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)c[nH]1 ZINC001000600604 745627173 /nfs/dbraw/zinc/62/71/73/745627173.db2.gz ZFOAYDFWIVSUNW-AWEZNQCLSA-N 1 1 341.371 0.053 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CCCO1 ZINC000977918260 745645408 /nfs/dbraw/zinc/64/54/08/745645408.db2.gz LIFDIKDCXWOFPG-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CCCO1 ZINC000977918260 745645410 /nfs/dbraw/zinc/64/54/10/745645410.db2.gz LIFDIKDCXWOFPG-OWCLPIDISA-N 1 1 333.432 0.322 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1csnn1 ZINC000977921355 745650553 /nfs/dbraw/zinc/65/05/53/745650553.db2.gz SBJJGEPKBKDEIN-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1csnn1 ZINC000977921355 745650557 /nfs/dbraw/zinc/65/05/57/745650557.db2.gz SBJJGEPKBKDEIN-OCCSQVGLSA-N 1 1 347.444 0.309 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1ncccc1C#N ZINC001126518342 745658420 /nfs/dbraw/zinc/65/84/20/745658420.db2.gz UCPDEWCHYOHUKB-HNNXBMFYSA-N 1 1 345.447 0.864 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cn(C)cn1 ZINC000977927312 745681811 /nfs/dbraw/zinc/68/18/11/745681811.db2.gz LZLILYLINQXCOL-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)c1cn(C)cn1 ZINC000977927312 745681815 /nfs/dbraw/zinc/68/18/15/745681815.db2.gz LZLILYLINQXCOL-ZBFHGGJFSA-N 1 1 343.431 0.191 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cncnc1 ZINC000977928099 745682370 /nfs/dbraw/zinc/68/23/70/745682370.db2.gz MHWFHQPRLXXIFN-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)c1cncnc1 ZINC000977928099 745682374 /nfs/dbraw/zinc/68/23/74/745682374.db2.gz MHWFHQPRLXXIFN-HOTGVXAUSA-N 1 1 341.415 0.247 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC001000695959 745706205 /nfs/dbraw/zinc/70/62/05/745706205.db2.gz MAENCQAQMAGMRA-BMFZPTHFSA-N 1 1 335.448 0.850 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC001000695959 745706207 /nfs/dbraw/zinc/70/62/07/745706207.db2.gz MAENCQAQMAGMRA-BMFZPTHFSA-N 1 1 335.448 0.850 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001000696113 745706676 /nfs/dbraw/zinc/70/66/76/745706676.db2.gz NXESHAKQUQHBAF-ZACQAIPSSA-N 1 1 347.459 0.995 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C#N)cn1 ZINC001126522438 745709502 /nfs/dbraw/zinc/70/95/02/745709502.db2.gz CLNKAYNVLLPRRL-GDBMZVCRSA-N 1 1 345.447 0.720 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC000977959161 745717258 /nfs/dbraw/zinc/71/72/58/745717258.db2.gz SMDVYJLJPSPYDU-WCXIOVBPSA-N 1 1 338.411 0.631 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+]1[C@@H](CC)C(N)=O ZINC001028270832 752026709 /nfs/dbraw/zinc/02/67/09/752026709.db2.gz UFGGYOVVYVEKNN-ZFWWWQNUSA-N 1 1 344.415 0.552 20 30 ECEDMO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](CC)C(N)=O ZINC001028270832 752026719 /nfs/dbraw/zinc/02/67/19/752026719.db2.gz UFGGYOVVYVEKNN-ZFWWWQNUSA-N 1 1 344.415 0.552 20 30 ECEDMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)nn1 ZINC000977960315 745719995 /nfs/dbraw/zinc/71/99/95/745719995.db2.gz AJYBHQWKHCKLPS-ZSOGYDGISA-N 1 1 325.376 0.123 20 30 ECEDMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)nn1 ZINC000977960315 745719998 /nfs/dbraw/zinc/71/99/98/745719998.db2.gz AJYBHQWKHCKLPS-ZSOGYDGISA-N 1 1 325.376 0.123 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)nc1 ZINC001000731330 745730127 /nfs/dbraw/zinc/73/01/27/745730127.db2.gz CGBWNULUFJAZBW-GXTWGEPZSA-N 1 1 339.403 0.542 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC000977974406 745732682 /nfs/dbraw/zinc/73/26/82/745732682.db2.gz IHQLISFTMAYIAY-AYDFFVQHSA-N 1 1 341.415 0.415 20 30 ECEDMO COCCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc(C#N)cn1 ZINC001126524745 745738081 /nfs/dbraw/zinc/73/80/81/745738081.db2.gz YLTVCPCCAUKPOG-HNNXBMFYSA-N 1 1 345.447 0.864 20 30 ECEDMO CN1CCC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O ZINC000977978304 745738350 /nfs/dbraw/zinc/73/83/50/745738350.db2.gz QBSUJOBDAZKHRV-HGTKMLMNSA-N 1 1 341.415 0.415 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccnc(C#N)n1 ZINC001126524739 745743861 /nfs/dbraw/zinc/74/38/61/745743861.db2.gz YJOOJGHEFACQHO-UONOGXRCSA-N 1 1 346.435 0.115 20 30 ECEDMO Cc1nonc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977969288 745755190 /nfs/dbraw/zinc/75/51/90/745755190.db2.gz UQXPNYKCOWOIBN-XYYAHUGASA-N 1 1 326.360 0.686 20 30 ECEDMO Cc1nonc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977969288 745755194 /nfs/dbraw/zinc/75/51/94/745755194.db2.gz UQXPNYKCOWOIBN-XYYAHUGASA-N 1 1 326.360 0.686 20 30 ECEDMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O ZINC000978042252 745819605 /nfs/dbraw/zinc/81/96/05/745819605.db2.gz UPBYVMPOKCSGTP-XPCVCDNBSA-N 1 1 327.388 0.025 20 30 ECEDMO C#CC[N@@H+]1CC=C(CNC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC001000915715 745894946 /nfs/dbraw/zinc/89/49/46/745894946.db2.gz ZVXUQTDFCLVSGD-UHFFFAOYSA-N 1 1 326.356 0.408 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC000978100995 745897399 /nfs/dbraw/zinc/89/73/99/745897399.db2.gz YTEPYKVAMKPQMT-RDJZCZTQSA-N 1 1 340.427 0.688 20 30 ECEDMO C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC000978098551 745915310 /nfs/dbraw/zinc/91/53/10/745915310.db2.gz BPYGZHKJKBRSGC-MMWGEVLESA-N 1 1 344.209 0.297 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001000992960 745958263 /nfs/dbraw/zinc/95/82/63/745958263.db2.gz OSXAZERRFOTLNC-AEFFLSMTSA-N 1 1 333.476 0.949 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087548750 745961646 /nfs/dbraw/zinc/96/16/46/745961646.db2.gz MFRJJSJFLOXARN-LSDHHAIUSA-N 1 1 329.404 0.701 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087548750 745961649 /nfs/dbraw/zinc/96/16/49/745961649.db2.gz MFRJJSJFLOXARN-LSDHHAIUSA-N 1 1 329.404 0.701 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 ZINC000978127662 745967681 /nfs/dbraw/zinc/96/76/81/745967681.db2.gz GMWOPSVLYHWZCU-QCEMKRCNSA-N 1 1 341.415 0.080 20 30 ECEDMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cnc(C#N)cn1 ZINC001126537887 745981863 /nfs/dbraw/zinc/98/18/63/745981863.db2.gz GWSAGMJGSJXXGH-UKRRQHHQSA-N 1 1 346.435 0.257 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](CCN3CCNC3=O)C2)c1 ZINC001007031511 752054920 /nfs/dbraw/zinc/05/49/20/752054920.db2.gz WGWFCMGLGXOJRQ-CYBMUJFWSA-N 1 1 330.392 0.106 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)c1 ZINC001007031511 752054926 /nfs/dbraw/zinc/05/49/26/752054926.db2.gz WGWFCMGLGXOJRQ-CYBMUJFWSA-N 1 1 330.392 0.106 20 30 ECEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nnn(C)c3C2)CC1 ZINC001001088685 746062458 /nfs/dbraw/zinc/06/24/58/746062458.db2.gz XQOLFGNWWLVKJG-OAHLLOKOSA-N 1 1 327.432 0.692 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCCNC2=O)cn1 ZINC001028273837 752057803 /nfs/dbraw/zinc/05/78/03/752057803.db2.gz SCDIJAXMEFTPDS-JKSUJKDBSA-N 1 1 326.400 0.536 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCCNC2=O)cn1 ZINC001028273837 752057806 /nfs/dbraw/zinc/05/78/06/752057806.db2.gz SCDIJAXMEFTPDS-JKSUJKDBSA-N 1 1 326.400 0.536 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC000982366560 752058060 /nfs/dbraw/zinc/05/80/60/752058060.db2.gz MQYMBZKFRPDZQX-WBVHZDCISA-N 1 1 340.427 0.758 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC000982366560 752058063 /nfs/dbraw/zinc/05/80/63/752058063.db2.gz MQYMBZKFRPDZQX-WBVHZDCISA-N 1 1 340.427 0.758 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCS3(=O)=O)[C@@H]2C1 ZINC000978248290 746080145 /nfs/dbraw/zinc/08/01/45/746080145.db2.gz KQMXXSGUEHWGHK-XQLPTFJDSA-N 1 1 326.462 0.824 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@H]32)cc1 ZINC001041986350 782551311 /nfs/dbraw/zinc/55/13/11/782551311.db2.gz PRQFRQHGSTWQHY-HZPDHXFCSA-N 1 1 326.400 0.856 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CSCC#N)C1 ZINC001059350608 746166959 /nfs/dbraw/zinc/16/69/59/746166959.db2.gz WTIJFJJIZMIOLX-KBPBESRZSA-N 1 1 338.477 0.692 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1CC ZINC001087671963 746175875 /nfs/dbraw/zinc/17/58/75/746175875.db2.gz XNBWFFJMLXYHDR-DZGCQCFKSA-N 1 1 327.392 0.826 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCCN(C)C3=O)C2)nn1 ZINC001105361072 752067564 /nfs/dbraw/zinc/06/75/64/752067564.db2.gz PUANPMMMBQXVKL-HNNXBMFYSA-N 1 1 346.435 0.196 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@H]3CCCN3C)C2)CC1 ZINC001001231625 746190973 /nfs/dbraw/zinc/19/09/73/746190973.db2.gz YXANFAVPDGKAQV-QGZVFWFLSA-N 1 1 346.475 0.000 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@@H+]([C@@H]3CCNC3=O)CC2)nn1 ZINC001001244069 746202550 /nfs/dbraw/zinc/20/25/50/746202550.db2.gz CUQURLIYNMRXAV-OAHLLOKOSA-N 1 1 344.419 0.105 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2=CC[N@H+]([C@@H]3CCNC3=O)CC2)nn1 ZINC001001244069 746202555 /nfs/dbraw/zinc/20/25/55/746202555.db2.gz CUQURLIYNMRXAV-OAHLLOKOSA-N 1 1 344.419 0.105 20 30 ECEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001027611361 746227141 /nfs/dbraw/zinc/22/71/41/746227141.db2.gz UHHKRUCVGXBFKQ-OAHLLOKOSA-N 1 1 348.451 0.678 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H]1CC ZINC001087734950 746261652 /nfs/dbraw/zinc/26/16/52/746261652.db2.gz HUVZPAXOHBVDFA-DZGCQCFKSA-N 1 1 330.432 0.957 20 30 ECEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001001315134 746272083 /nfs/dbraw/zinc/27/20/83/746272083.db2.gz OZEPFDLGJYRAGP-MRXNPFEDSA-N 1 1 343.431 0.700 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2ccon2)C1 ZINC000984341574 746310616 /nfs/dbraw/zinc/31/06/16/746310616.db2.gz AXPVAJQFAFLCAQ-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2ccon2)C1 ZINC000984341574 746310621 /nfs/dbraw/zinc/31/06/21/746310621.db2.gz AXPVAJQFAFLCAQ-HOCLYGCPSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)[C@H]1CC ZINC001087772449 746319279 /nfs/dbraw/zinc/31/92/79/746319279.db2.gz KASUZAKCCOWDBV-UONOGXRCSA-N 1 1 332.404 0.731 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@H+]([C@H](C)C(=O)NC)CC2)nc1 ZINC001001383453 746329244 /nfs/dbraw/zinc/32/92/44/746329244.db2.gz LMAFGJZSVBKAJD-CYBMUJFWSA-N 1 1 326.400 0.559 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2=CC[N@@H+]([C@H](C)C(=O)NC)CC2)nc1 ZINC001001383453 746329250 /nfs/dbraw/zinc/32/92/50/746329250.db2.gz LMAFGJZSVBKAJD-CYBMUJFWSA-N 1 1 326.400 0.559 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@@H]1CC ZINC001087789853 746336460 /nfs/dbraw/zinc/33/64/60/746336460.db2.gz JURJYUOCGZHSDR-UONOGXRCSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@@H]1CC ZINC001087789853 746336465 /nfs/dbraw/zinc/33/64/65/746336465.db2.gz JURJYUOCGZHSDR-UONOGXRCSA-N 1 1 346.431 0.975 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@@H]2CC)cn1 ZINC001087802433 746363063 /nfs/dbraw/zinc/36/30/63/746363063.db2.gz QDBCIKSFDLKCOU-DLBZAZTESA-N 1 1 338.415 0.974 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@@H]2CC)cn1 ZINC001087802433 746363068 /nfs/dbraw/zinc/36/30/68/746363068.db2.gz QDBCIKSFDLKCOU-DLBZAZTESA-N 1 1 338.415 0.974 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001029422285 746367081 /nfs/dbraw/zinc/36/70/81/746367081.db2.gz AZECHNSYVSVJTG-OWCLPIDISA-N 1 1 349.475 0.857 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001029422285 746367087 /nfs/dbraw/zinc/36/70/87/746367087.db2.gz AZECHNSYVSVJTG-OWCLPIDISA-N 1 1 349.475 0.857 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361142 752084640 /nfs/dbraw/zinc/08/46/40/752084640.db2.gz RRRISIAMJUKVCO-CQSZACIVSA-N 1 1 330.436 0.116 20 30 ECEDMO C#CCCNCc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361142 752084648 /nfs/dbraw/zinc/08/46/48/752084648.db2.gz RRRISIAMJUKVCO-CQSZACIVSA-N 1 1 330.436 0.116 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nc(C)nn4C3)[C@@H]2C1 ZINC000978520844 746382504 /nfs/dbraw/zinc/38/25/04/746382504.db2.gz IWOPNYJJZOSDOP-FPCVCCKLSA-N 1 1 327.432 0.466 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001001478281 746418083 /nfs/dbraw/zinc/41/80/83/746418083.db2.gz QTXFJEKTHKXFHC-LBPRGKRZSA-N 1 1 329.404 0.416 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC001001484848 746423647 /nfs/dbraw/zinc/42/36/47/746423647.db2.gz PHRAIGUSDLUNHN-GOEBONIOSA-N 1 1 343.431 0.805 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)c(F)c1 ZINC001041986666 782552292 /nfs/dbraw/zinc/55/22/92/782552292.db2.gz SIHKDYCIHAFOJC-CJNGLKHVSA-N 1 1 344.390 0.996 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4nnnc4c3)[C@@H]2C1 ZINC000978583536 746470550 /nfs/dbraw/zinc/47/05/50/746470550.db2.gz NGAFZILZANIBSH-QKDCVEJESA-N 1 1 326.404 0.998 20 30 ECEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCNC4=O)[C@@H]3C2)s1 ZINC000978601299 746497499 /nfs/dbraw/zinc/49/74/99/746497499.db2.gz JOGIIICTRFVIBX-TUVASFSCSA-N 1 1 344.440 0.550 20 30 ECEDMO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4cnn(C)c4C3)[C@@H]2C1 ZINC000978624515 746519328 /nfs/dbraw/zinc/51/93/28/746519328.db2.gz ADYBUVKHNJMLSV-QSPRXWTASA-N 1 1 326.444 0.842 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041986478 782552491 /nfs/dbraw/zinc/55/24/91/782552491.db2.gz QXYOUGGDFJKXPO-MLGOLLRUSA-N 1 1 344.390 0.996 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041986478 782552499 /nfs/dbraw/zinc/55/24/99/782552499.db2.gz QXYOUGGDFJKXPO-MLGOLLRUSA-N 1 1 344.390 0.996 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(CCC(N)=O)cc3)[C@@H]2C1 ZINC000978696855 746592532 /nfs/dbraw/zinc/59/25/32/746592532.db2.gz GGMZPTQQLTXNMA-OSYLJGHBSA-N 1 1 325.412 0.645 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@H]32)c1 ZINC000978686310 746597646 /nfs/dbraw/zinc/59/76/46/746597646.db2.gz CIFLGHSJKLCWPD-OSYLJGHBSA-N 1 1 336.399 0.299 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@H]32)c1 ZINC000978686310 746597648 /nfs/dbraw/zinc/59/76/48/746597648.db2.gz CIFLGHSJKLCWPD-OSYLJGHBSA-N 1 1 336.399 0.299 20 30 ECEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c4n(c(=O)n3C)CCCC4)[C@@H]2C1 ZINC000978712371 746615051 /nfs/dbraw/zinc/61/50/51/746615051.db2.gz SWAMTIGBZNKKIY-ZSOGYDGISA-N 1 1 330.432 0.617 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC000978720601 746620765 /nfs/dbraw/zinc/62/07/65/746620765.db2.gz SZEKCOVCVVQVIU-LZWOXQAQSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC000978720601 746620766 /nfs/dbraw/zinc/62/07/66/746620766.db2.gz SZEKCOVCVVQVIU-LZWOXQAQSA-N 1 1 343.431 0.142 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000978727514 746638005 /nfs/dbraw/zinc/63/80/05/746638005.db2.gz DTOSFNYUWFYHPT-SUJAAXHWSA-N 1 1 331.420 0.163 20 30 ECEDMO C=C(Br)C[NH+]1CCC(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001001721121 746642086 /nfs/dbraw/zinc/64/20/86/746642086.db2.gz IGWJLVMIXRFDPY-GFCCVEGCSA-N 1 1 344.253 0.859 20 30 ECEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001027663361 746644817 /nfs/dbraw/zinc/64/48/17/746644817.db2.gz AMTLVFUGHPHULJ-DZGCQCFKSA-N 1 1 329.466 0.567 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978735235 746649591 /nfs/dbraw/zinc/64/95/91/746649591.db2.gz MALLWLBOGMQWLR-XBXGTLAGSA-N 1 1 340.387 0.716 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001059399796 746652905 /nfs/dbraw/zinc/65/29/05/746652905.db2.gz XCGTUDNFJSNMHP-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C=CC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001059399796 746652906 /nfs/dbraw/zinc/65/29/06/746652906.db2.gz XCGTUDNFJSNMHP-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO C=C(Br)C[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001087914802 746655844 /nfs/dbraw/zinc/65/58/44/746655844.db2.gz GDCCRTDHSFASKG-MNOVXSKESA-N 1 1 330.226 0.551 20 30 ECEDMO C=C(Br)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001087914802 746655847 /nfs/dbraw/zinc/65/58/47/746655847.db2.gz GDCCRTDHSFASKG-MNOVXSKESA-N 1 1 330.226 0.551 20 30 ECEDMO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)nn1 ZINC001087925487 746670784 /nfs/dbraw/zinc/67/07/84/746670784.db2.gz OYSSKAVOYBSFBL-KGLIPLIRSA-N 1 1 339.403 0.609 20 30 ECEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)nn1 ZINC001087925487 746670787 /nfs/dbraw/zinc/67/07/87/746670787.db2.gz OYSSKAVOYBSFBL-KGLIPLIRSA-N 1 1 339.403 0.609 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)CC[C@@H]3C2)c[nH]1 ZINC001087940808 746694973 /nfs/dbraw/zinc/69/49/73/746694973.db2.gz XMBCAPIOLJDHMI-IVMMDQJWSA-N 1 1 341.415 0.559 20 30 ECEDMO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)c[nH]1 ZINC001087940312 746695285 /nfs/dbraw/zinc/69/52/85/746695285.db2.gz DUUGDGBNNAYLRQ-OSAQELSMSA-N 1 1 327.388 0.169 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)nn1 ZINC000978822292 746750655 /nfs/dbraw/zinc/75/06/55/746750655.db2.gz XCLDMEMHLPCURD-FPCVCCKLSA-N 1 1 345.447 0.798 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000978843389 746771304 /nfs/dbraw/zinc/77/13/04/746771304.db2.gz RZXGVXKVTTTWDI-HRCADAONSA-N 1 1 340.427 0.639 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)C1=O ZINC001027679993 746783438 /nfs/dbraw/zinc/78/34/38/746783438.db2.gz XUNYVCTUMBQYLE-GDBMZVCRSA-N 1 1 345.447 0.743 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001001885138 746784605 /nfs/dbraw/zinc/78/46/05/746784605.db2.gz GIZGSFOZWVXNEI-MRXNPFEDSA-N 1 1 343.431 0.947 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc4ncccn4n3)[C@@H]2C1 ZINC000978873825 746807630 /nfs/dbraw/zinc/80/76/30/746807630.db2.gz ZKFSMUMFDOXBLW-ZSOGYDGISA-N 1 1 326.404 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@@H]2C1 ZINC001087984449 746829784 /nfs/dbraw/zinc/82/97/84/746829784.db2.gz BQHCVQSHLYNVPE-ZNMIVQPWSA-N 1 1 331.416 0.328 20 30 ECEDMO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C(N)=O)s3)C2)nn1 ZINC001105340937 746867555 /nfs/dbraw/zinc/86/75/55/746867555.db2.gz YGXJEASDNFGLSG-UHFFFAOYSA-N 1 1 346.416 0.411 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(N4CCCC4)nn3)[C@@H]2C1 ZINC000978946453 746934567 /nfs/dbraw/zinc/93/45/67/746934567.db2.gz PJMHKGZHLNJLIL-QKDCVEJESA-N 1 1 325.416 0.618 20 30 ECEDMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001007155104 752136079 /nfs/dbraw/zinc/13/60/79/752136079.db2.gz JCPKLASIRKKSRR-QZTJIDSGSA-N 1 1 342.443 0.969 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC000978952027 746944728 /nfs/dbraw/zinc/94/47/28/746944728.db2.gz FKSMDLUNMQPNIF-LZWOXQAQSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC000978952027 746944732 /nfs/dbraw/zinc/94/47/32/746944732.db2.gz FKSMDLUNMQPNIF-LZWOXQAQSA-N 1 1 343.431 0.142 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3c3ncccn3)C[C@@H]2C1 ZINC001088000016 746994477 /nfs/dbraw/zinc/99/44/77/746994477.db2.gz LNACLKQTQZLVPP-IXDOHACOSA-N 1 1 339.443 0.859 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccnn4C)C[C@H]32)nc1 ZINC000978992777 747005080 /nfs/dbraw/zinc/00/50/80/747005080.db2.gz PMAPOKFXWLYUBO-OSYLJGHBSA-N 1 1 335.411 0.904 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)nc1 ZINC000978994007 747008327 /nfs/dbraw/zinc/00/83/27/747008327.db2.gz RWVVKGCINLEWOW-PHZGNYQRSA-N 1 1 338.411 0.203 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnn3CCOC)C[C@@H]2C1 ZINC001088007307 747032432 /nfs/dbraw/zinc/03/24/32/747032432.db2.gz IIWULZUHALHEHH-CVEARBPZSA-N 1 1 330.432 0.947 20 30 ECEDMO C=CCCn1cc(C(=O)NCC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001002159150 747039177 /nfs/dbraw/zinc/03/91/77/747039177.db2.gz LNYXRYSNTHTZTP-HNNXBMFYSA-N 1 1 346.435 0.137 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)nc1 ZINC000979024496 747053416 /nfs/dbraw/zinc/05/34/16/747053416.db2.gz ZHCYAPOZMLILAE-QCEMKRCNSA-N 1 1 340.427 0.447 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001002191829 747067422 /nfs/dbraw/zinc/06/74/22/747067422.db2.gz CLUJUTHKSOCGJJ-JYJNAYRXSA-N 1 1 335.448 0.636 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc(COC)ncn2)C1 ZINC001059456043 747072787 /nfs/dbraw/zinc/07/27/87/747072787.db2.gz RWRKCJATBWUZSK-DZKIICNBSA-N 1 1 343.431 0.780 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc(COC)ncn2)C1 ZINC001059456043 747072795 /nfs/dbraw/zinc/07/27/95/747072795.db2.gz RWRKCJATBWUZSK-DZKIICNBSA-N 1 1 343.431 0.780 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@@H]2C1 ZINC001088026311 747100664 /nfs/dbraw/zinc/10/06/64/747100664.db2.gz CDQJNFMAXIYNGQ-NEPJUHHUSA-N 1 1 339.417 0.507 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]2C1 ZINC001088047357 747145332 /nfs/dbraw/zinc/14/53/32/747145332.db2.gz UFNWXWUSYCRDHS-OLZOCXBDSA-N 1 1 336.823 0.927 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088053357 747160769 /nfs/dbraw/zinc/16/07/69/747160769.db2.gz DYPQMIDKAPTSQE-PMPSAXMXSA-N 1 1 338.473 0.757 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](OC)c3cnn(C)c3)C[C@@H]2C1 ZINC001088053363 747160786 /nfs/dbraw/zinc/16/07/86/747160786.db2.gz FGFSAWOFISNOKK-HYVNUMGLSA-N 1 1 330.432 0.911 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC(F)F)C[C@@H]2C1 ZINC001088053745 747162550 /nfs/dbraw/zinc/16/25/50/747162550.db2.gz YCMISUWZJIGLEQ-ILXRZTDVSA-N 1 1 343.418 0.919 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029508403 747202121 /nfs/dbraw/zinc/20/21/21/747202121.db2.gz BDVBJXUMUYKQRH-NNXHMXCWSA-N 1 1 347.459 0.921 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001029512490 747207736 /nfs/dbraw/zinc/20/77/36/747207736.db2.gz ZKUKBQNTYXDKAH-NNXHMXCWSA-N 1 1 347.459 0.921 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088112789 747412301 /nfs/dbraw/zinc/41/23/01/747412301.db2.gz XPUDFIJXCRXTCC-WTTBNOFXSA-N 1 1 345.447 0.687 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088112789 747412305 /nfs/dbraw/zinc/41/23/05/747412305.db2.gz XPUDFIJXCRXTCC-WTTBNOFXSA-N 1 1 345.447 0.687 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)c(C(N)=O)cn3)C[C@@H]2C1 ZINC001088113740 747417397 /nfs/dbraw/zinc/41/73/97/747417397.db2.gz AHMQUEBJDIFQHQ-CABCVRRESA-N 1 1 340.427 0.906 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001002485992 747420832 /nfs/dbraw/zinc/42/08/32/747420832.db2.gz MFGQKTJFHSGIQU-HZPDHXFCSA-N 1 1 333.432 0.180 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001002485992 747420835 /nfs/dbraw/zinc/42/08/35/747420835.db2.gz MFGQKTJFHSGIQU-HZPDHXFCSA-N 1 1 333.432 0.180 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC001002488275 747423490 /nfs/dbraw/zinc/42/34/90/747423490.db2.gz LUZLTLZPHBMRGS-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)C#CC2CC2)C1 ZINC001002488275 747423493 /nfs/dbraw/zinc/42/34/93/747423493.db2.gz LUZLTLZPHBMRGS-SJORKVTESA-N 1 1 347.459 0.570 20 30 ECEDMO CN(C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC001002516283 747457249 /nfs/dbraw/zinc/45/72/49/747457249.db2.gz LUJROKSXEDQUDO-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CNC(C)=O)o3)C[C@@H]2C1 ZINC001088141869 747495543 /nfs/dbraw/zinc/49/55/43/747495543.db2.gz HIGVNDZSERKMIO-CABCVRRESA-N 1 1 329.400 0.943 20 30 ECEDMO C[C@H]([NH2+]Cc1ncccn1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979279055 747504961 /nfs/dbraw/zinc/50/49/61/747504961.db2.gz TWSUAVBUYNFKAD-SWLSCSKDSA-N 1 1 340.387 0.696 20 30 ECEDMO C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979285923 747536411 /nfs/dbraw/zinc/53/64/11/747536411.db2.gz CFORYSDYZSJFOY-NHYWBVRUSA-N 1 1 343.391 0.034 20 30 ECEDMO C[C@@H]([NH2+]Cc1nncn1C)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979288379 747540815 /nfs/dbraw/zinc/54/08/15/747540815.db2.gz FQDVYWVAXUBJRD-RISCZKNCSA-N 1 1 343.391 0.034 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnccc3=O)C[C@@H]2C1 ZINC001088155722 747545313 /nfs/dbraw/zinc/54/53/13/747545313.db2.gz ZRMGVRFDCNJJKM-CVEARBPZSA-N 1 1 328.416 0.437 20 30 ECEDMO C[C@@H]([NH2+]Cc1ncnn1C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979295159 747558696 /nfs/dbraw/zinc/55/86/96/747558696.db2.gz QVFDZQZUFHGUSY-BXUZGUMPSA-N 1 1 343.391 0.034 20 30 ECEDMO Cc1nonc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979297178 747564028 /nfs/dbraw/zinc/56/40/28/747564028.db2.gz UQMJCUIBYGAMIV-XHDPSFHLSA-N 1 1 344.375 0.597 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(N)=O)C[C@@H]2C1 ZINC001088166488 747566708 /nfs/dbraw/zinc/56/67/08/747566708.db2.gz DGOWGXLFHJCXER-PMPSAXMXSA-N 1 1 332.448 0.723 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001002612741 747572289 /nfs/dbraw/zinc/57/22/89/747572289.db2.gz CFLPAKROJOHYGP-MRXNPFEDSA-N 1 1 346.431 0.193 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001002612741 747572296 /nfs/dbraw/zinc/57/22/96/747572296.db2.gz CFLPAKROJOHYGP-MRXNPFEDSA-N 1 1 346.431 0.193 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001002612739 747572312 /nfs/dbraw/zinc/57/23/12/747572312.db2.gz CFLPAKROJOHYGP-INIZCTEOSA-N 1 1 346.431 0.193 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001002612739 747572314 /nfs/dbraw/zinc/57/23/14/747572314.db2.gz CFLPAKROJOHYGP-INIZCTEOSA-N 1 1 346.431 0.193 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2cc(C)n(C)n2)C1=O ZINC001027779252 747610484 /nfs/dbraw/zinc/61/04/84/747610484.db2.gz VIGGGXGJLQXADW-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cc(C)n(C)n2)C1=O ZINC001027779252 747610489 /nfs/dbraw/zinc/61/04/89/747610489.db2.gz VIGGGXGJLQXADW-GOEBONIOSA-N 1 1 345.447 0.710 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000979332547 747656738 /nfs/dbraw/zinc/65/67/38/747656738.db2.gz WAEGDUHEFGXGSK-RBZJEDDUSA-N 1 1 335.448 0.540 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(=O)NC)nc3)C[C@@H]2C1 ZINC001088173846 747682199 /nfs/dbraw/zinc/68/21/99/747682199.db2.gz VZQNQVBHOCRKTE-CABCVRRESA-N 1 1 326.400 0.468 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]2C1 ZINC001088177759 747683217 /nfs/dbraw/zinc/68/32/17/747683217.db2.gz WXSIAHCBNQQHRI-CVEARBPZSA-N 1 1 330.432 0.908 20 30 ECEDMO N#Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)ccc1F ZINC001002723196 747700805 /nfs/dbraw/zinc/70/08/05/747700805.db2.gz RDBGCQHQCNUSCY-HNNXBMFYSA-N 1 1 346.362 0.886 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC001088190620 747702099 /nfs/dbraw/zinc/70/20/99/747702099.db2.gz JBFDXQMTYBFHEX-KGLIPLIRSA-N 1 1 348.447 0.673 20 30 ECEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCO3)[C@@H](O)C2)cc1 ZINC001083326774 752203984 /nfs/dbraw/zinc/20/39/84/752203984.db2.gz OXNCUFIVTXCWOM-IXDOHACOSA-N 1 1 345.399 0.429 20 30 ECEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCO3)[C@@H](O)C2)cc1 ZINC001083326774 752203988 /nfs/dbraw/zinc/20/39/88/752203988.db2.gz OXNCUFIVTXCWOM-IXDOHACOSA-N 1 1 345.399 0.429 20 30 ECEDMO C=C1CC(C)(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]Cc3ncnn3C)C2)C1 ZINC000979379006 747706078 /nfs/dbraw/zinc/70/60/78/747706078.db2.gz NYHIDXPSESAONG-KGLIPLIRSA-N 1 1 333.436 0.877 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@@H]2C1 ZINC001088194490 747708108 /nfs/dbraw/zinc/70/81/08/747708108.db2.gz IHOZWCAZZZBTSO-HZSPNIEDSA-N 1 1 334.420 0.331 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@@H]2C1 ZINC001088206436 747738807 /nfs/dbraw/zinc/73/88/07/747738807.db2.gz QPZMPYONCQZEST-IKGGRYGDSA-N 1 1 335.448 0.590 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000985339457 747747439 /nfs/dbraw/zinc/74/74/39/747747439.db2.gz VCOLYDDKERUNET-KBPBESRZSA-N 1 1 341.477 0.894 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnc(C)[nH]2)C1=O ZINC001027793238 747748356 /nfs/dbraw/zinc/74/83/56/747748356.db2.gz FZNXVBUIQJWXLY-UKRRQHHQSA-N 1 1 331.420 0.699 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnc(C)[nH]2)C1=O ZINC001027793238 747748364 /nfs/dbraw/zinc/74/83/64/747748364.db2.gz FZNXVBUIQJWXLY-UKRRQHHQSA-N 1 1 331.420 0.699 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)c1cnc(C#N)cn1 ZINC001112181184 747768624 /nfs/dbraw/zinc/76/86/24/747768624.db2.gz GJQJXRPZTQYVOF-DZGCQCFKSA-N 1 1 330.436 0.831 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCN(C)c1nccnc1C#N ZINC001112181418 747776522 /nfs/dbraw/zinc/77/65/22/747776522.db2.gz MXGBOONYPYYEKL-UONOGXRCSA-N 1 1 330.436 0.831 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC001088231268 747779722 /nfs/dbraw/zinc/77/97/22/747779722.db2.gz NAQPGDATFFVUSP-IRXDYDNUSA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 ZINC001088230876 747783888 /nfs/dbraw/zinc/78/38/88/747783888.db2.gz BKTIHPOLTVJPGS-ROUUACIJSA-N 1 1 349.475 0.280 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)c2ccnc(C#N)n2)C1 ZINC001112181562 747788570 /nfs/dbraw/zinc/78/85/70/747788570.db2.gz RODJHQAEQIBIEX-CQSZACIVSA-N 1 1 330.436 0.975 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](OCC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001088233156 747789742 /nfs/dbraw/zinc/78/97/42/747789742.db2.gz JHFJVADWPCOVIY-RHSMWYFYSA-N 1 1 347.459 0.603 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCN(C)c1ccnc(C#N)n1 ZINC001112181795 747794585 /nfs/dbraw/zinc/79/45/85/747794585.db2.gz YPGUSRRNEXSGFE-KGLIPLIRSA-N 1 1 330.436 0.831 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001088235294 747814953 /nfs/dbraw/zinc/81/49/53/747814953.db2.gz OABOCSYAHWPHER-DLBZAZTESA-N 1 1 347.459 0.475 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001088237424 747838374 /nfs/dbraw/zinc/83/83/74/747838374.db2.gz TXJSFLAPAGFIKQ-CQSZACIVSA-N 1 1 334.424 0.339 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CC(F)(F)C2)C1 ZINC001002830395 747847312 /nfs/dbraw/zinc/84/73/12/747847312.db2.gz RFZWCCOSKLVJEM-AWEZNQCLSA-N 1 1 339.386 0.704 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CC(F)(F)C2)C1 ZINC001002830395 747847323 /nfs/dbraw/zinc/84/73/23/747847323.db2.gz RFZWCCOSKLVJEM-AWEZNQCLSA-N 1 1 339.386 0.704 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001002834754 747855121 /nfs/dbraw/zinc/85/51/21/747855121.db2.gz ICQWNPRXZNGNFN-RDJZCZTQSA-N 1 1 346.475 0.143 20 30 ECEDMO C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001088240155 747942558 /nfs/dbraw/zinc/94/25/58/747942558.db2.gz QJCKZXYWARENNL-HNNXBMFYSA-N 1 1 333.436 0.863 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)s1 ZINC001007257585 752229173 /nfs/dbraw/zinc/22/91/73/752229173.db2.gz HBCMCVZSQVAELN-GXFFZTMASA-N 1 1 334.401 0.809 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)s1 ZINC001007257585 752229174 /nfs/dbraw/zinc/22/91/74/752229174.db2.gz HBCMCVZSQVAELN-GXFFZTMASA-N 1 1 334.401 0.809 20 30 ECEDMO C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCN(C(=O)C#CC3CC3)CC2)CCO1 ZINC000985431965 748001269 /nfs/dbraw/zinc/00/12/69/748001269.db2.gz UYTUJEXJBBXOHK-OAHLLOKOSA-N 1 1 347.459 0.570 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1F ZINC001007263712 752235979 /nfs/dbraw/zinc/23/59/79/752235979.db2.gz ULEWRWYXHHGBAP-HIFRSBDPSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc1F ZINC001007263712 752235982 /nfs/dbraw/zinc/23/59/82/752235982.db2.gz ULEWRWYXHHGBAP-HIFRSBDPSA-N 1 1 346.362 0.886 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001029676436 748039786 /nfs/dbraw/zinc/03/97/86/748039786.db2.gz AZMNZNXJZQYPKS-STQMWFEESA-N 1 1 342.403 0.463 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2=COCCC2)C1 ZINC000979574564 748040383 /nfs/dbraw/zinc/04/03/83/748040383.db2.gz PHNMIQLEXILWGP-XIRDDKMYSA-N 1 1 345.443 0.789 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)C2=COCCC2)C1 ZINC000979574564 748040384 /nfs/dbraw/zinc/04/03/84/748040384.db2.gz PHNMIQLEXILWGP-XIRDDKMYSA-N 1 1 345.443 0.789 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001029724722 748160075 /nfs/dbraw/zinc/16/00/75/748160075.db2.gz NZLPGDIPDZHHPB-HOTGVXAUSA-N 1 1 342.399 0.947 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979651548 748160543 /nfs/dbraw/zinc/16/05/43/748160543.db2.gz VWEKDVDOWIEVJL-XNRPHZJLSA-N 1 1 343.431 0.995 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)CC[N@H+]1C ZINC000979656703 748168187 /nfs/dbraw/zinc/16/81/87/748168187.db2.gz KJMQKEDWXSDMAF-QHSBEEBCSA-N 1 1 343.431 0.851 20 30 ECEDMO COCCc1noc(C[N@H+](C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029732759 748184236 /nfs/dbraw/zinc/18/42/36/748184236.db2.gz BMSYNVDFSDQHLX-OAHLLOKOSA-N 1 1 346.431 0.952 20 30 ECEDMO COCCc1noc(C[N@@H+](C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029732759 748184242 /nfs/dbraw/zinc/18/42/42/748184242.db2.gz BMSYNVDFSDQHLX-OAHLLOKOSA-N 1 1 346.431 0.952 20 30 ECEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001029738136 748193112 /nfs/dbraw/zinc/19/31/12/748193112.db2.gz VEWMVHMTSFTNDV-INIZCTEOSA-N 1 1 339.403 0.525 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1 ZINC001075856873 748227034 /nfs/dbraw/zinc/22/70/34/748227034.db2.gz NOBYNPPDEYLAMT-GOEBONIOSA-N 1 1 327.384 0.330 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027830507 748264351 /nfs/dbraw/zinc/26/43/51/748264351.db2.gz CQRSSICGSUEFAC-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001027830507 748264355 /nfs/dbraw/zinc/26/43/55/748264355.db2.gz CQRSSICGSUEFAC-HIFRSBDPSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2ncnn2C)C1 ZINC001029757810 748268587 /nfs/dbraw/zinc/26/85/87/748268587.db2.gz IOFDOKANWBQVDN-HOTGVXAUSA-N 1 1 344.463 0.193 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2ncnn2C)C1 ZINC001029757810 748268589 /nfs/dbraw/zinc/26/85/89/748268589.db2.gz IOFDOKANWBQVDN-HOTGVXAUSA-N 1 1 344.463 0.193 20 30 ECEDMO Cc1nc(C)n(CC[N@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001027831248 748277214 /nfs/dbraw/zinc/27/72/14/748277214.db2.gz OORGCMCOVFRVIX-HNNXBMFYSA-N 1 1 341.419 0.989 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000985496861 748307070 /nfs/dbraw/zinc/30/70/70/748307070.db2.gz RPIZXYQOJIGVEW-OLZOCXBDSA-N 1 1 334.338 0.889 20 30 ECEDMO Cn1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)cc1=O ZINC001027832447 748341018 /nfs/dbraw/zinc/34/10/18/748341018.db2.gz DZMILTJHLNAVNT-INIZCTEOSA-N 1 1 339.399 0.979 20 30 ECEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000985518651 748381587 /nfs/dbraw/zinc/38/15/87/748381587.db2.gz TWHXEQWVEXFUCD-UHFFFAOYSA-N 1 1 327.406 0.649 20 30 ECEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000979786450 748389542 /nfs/dbraw/zinc/38/95/42/748389542.db2.gz YEYCAVRGFPNUSD-UMVBOHGHSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cncnc2)C1=O ZINC001027838378 748425297 /nfs/dbraw/zinc/42/52/97/748425297.db2.gz AQQOVNFFVLBRFH-GJZGRUSLSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cncnc2)C1=O ZINC001027838378 748425301 /nfs/dbraw/zinc/42/53/01/748425301.db2.gz AQQOVNFFVLBRFH-GJZGRUSLSA-N 1 1 329.404 0.458 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3cnco3)C2)C1=O ZINC001029799310 748465645 /nfs/dbraw/zinc/46/56/45/748465645.db2.gz XGSZTHZVFQKZKW-KBPBESRZSA-N 1 1 332.404 0.855 20 30 ECEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001029802949 748484085 /nfs/dbraw/zinc/48/40/85/748484085.db2.gz HGRLBBQJZHNLEG-SJORKVTESA-N 1 1 340.427 0.975 20 30 ECEDMO O=C(NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)[C@H]1CCNC1=O ZINC001003427702 748543469 /nfs/dbraw/zinc/54/34/69/748543469.db2.gz MOPCUPRGPFIWIS-KRWDZBQOSA-N 1 1 343.402 0.894 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001059587369 748616637 /nfs/dbraw/zinc/61/66/37/748616637.db2.gz RQBYFRWCAIOJIU-LOWVWBTDSA-N 1 1 335.433 0.713 20 30 ECEDMO Cc1nsc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001059587369 748616639 /nfs/dbraw/zinc/61/66/39/748616639.db2.gz RQBYFRWCAIOJIU-LOWVWBTDSA-N 1 1 335.433 0.713 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001029826600 748627200 /nfs/dbraw/zinc/62/72/00/748627200.db2.gz SKONIBMIZWZWHD-CXAGYDPISA-N 1 1 335.452 0.991 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3n[nH]cc3F)C2)C1=O ZINC001029831226 748655113 /nfs/dbraw/zinc/65/51/13/748655113.db2.gz SKZRPOQLCKMPNU-TZMCWYRMSA-N 1 1 349.410 0.730 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC001003626110 748739550 /nfs/dbraw/zinc/73/95/50/748739550.db2.gz MGDUHDFJPWNKKO-WBVHZDCISA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC001003626110 748739553 /nfs/dbraw/zinc/73/95/53/748739553.db2.gz MGDUHDFJPWNKKO-WBVHZDCISA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1=O ZINC001003626109 748739785 /nfs/dbraw/zinc/73/97/85/748739785.db2.gz MGDUHDFJPWNKKO-RDJZCZTQSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@H](N2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1=O ZINC001003626109 748739789 /nfs/dbraw/zinc/73/97/89/748739789.db2.gz MGDUHDFJPWNKKO-RDJZCZTQSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2nccn2CC)C1=O ZINC001027855888 748744595 /nfs/dbraw/zinc/74/45/95/748744595.db2.gz ZGFJOBWQVRKPDT-HUUCEWRRSA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2nccn2CC)C1=O ZINC001027855888 748744599 /nfs/dbraw/zinc/74/45/99/748744599.db2.gz ZGFJOBWQVRKPDT-HUUCEWRRSA-N 1 1 345.447 0.884 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cn(C)nn2)C1 ZINC001029845256 748751064 /nfs/dbraw/zinc/75/10/64/748751064.db2.gz BLADNFIVUOPKMF-BMFZPTHFSA-N 1 1 333.436 0.687 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cn(C)nn2)C1 ZINC001029845256 748751068 /nfs/dbraw/zinc/75/10/68/748751068.db2.gz BLADNFIVUOPKMF-BMFZPTHFSA-N 1 1 333.436 0.687 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 ZINC000979979670 748756604 /nfs/dbraw/zinc/75/66/04/748756604.db2.gz LFFAPHUZGPAZAD-GVDBMIGSSA-N 1 1 346.475 0.000 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC000979979681 748756775 /nfs/dbraw/zinc/75/67/75/748756775.db2.gz LFFAPHUZGPAZAD-YESZJQIVSA-N 1 1 346.475 0.000 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC([N@H+](C)[C@H]3CCN(C)C3=O)CC2)c1 ZINC000985637420 748775637 /nfs/dbraw/zinc/77/56/37/748775637.db2.gz JBWBIDVOMDOXQH-KRWDZBQOSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(F)F ZINC001003674182 748782682 /nfs/dbraw/zinc/78/26/82/748782682.db2.gz AKBNHTDWRHWLJS-NDBYEHHHSA-N 1 1 325.359 0.597 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(F)F ZINC001003674182 748782686 /nfs/dbraw/zinc/78/26/86/748782686.db2.gz AKBNHTDWRHWLJS-NDBYEHHHSA-N 1 1 325.359 0.597 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)c(F)c1 ZINC001027861107 748797573 /nfs/dbraw/zinc/79/75/73/748797573.db2.gz RDOOKLFVBSMWNI-UKRRQHHQSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)c(F)c1 ZINC001027861107 748797577 /nfs/dbraw/zinc/79/75/77/748797577.db2.gz RDOOKLFVBSMWNI-UKRRQHHQSA-N 1 1 346.362 0.886 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)s1 ZINC001027861180 748798801 /nfs/dbraw/zinc/79/88/01/748798801.db2.gz RUGIIMWDUOVBPN-GWCFXTLKSA-N 1 1 334.401 0.809 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)s1 ZINC001027861180 748798802 /nfs/dbraw/zinc/79/88/02/748798802.db2.gz RUGIIMWDUOVBPN-GWCFXTLKSA-N 1 1 334.401 0.809 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)C1=O ZINC001029852889 748831024 /nfs/dbraw/zinc/83/10/24/748831024.db2.gz JJPJADWGWFQYSR-GOEBONIOSA-N 1 1 345.447 0.519 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000985662040 748833052 /nfs/dbraw/zinc/83/30/52/748833052.db2.gz RQSKVBFEGGGRDL-PMPSAXMXSA-N 1 1 335.448 0.731 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H](C)c2nnnn2C)CC1 ZINC000985662371 748833742 /nfs/dbraw/zinc/83/37/42/748833742.db2.gz SHQXDCJVAFKCAB-YUELXQCFSA-N 1 1 348.451 0.785 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H](C)c2nnnn2C)CC1 ZINC000985662371 748833747 /nfs/dbraw/zinc/83/37/47/748833747.db2.gz SHQXDCJVAFKCAB-YUELXQCFSA-N 1 1 348.451 0.785 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@@H+](C)Cc3cn(C)nn3)CC2)nn1 ZINC000985696790 748888809 /nfs/dbraw/zinc/88/88/09/748888809.db2.gz XEPCKNQDEOWWSF-UHFFFAOYSA-N 1 1 344.423 0.329 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC([N@H+](C)Cc3cn(C)nn3)CC2)nn1 ZINC000985696790 748888812 /nfs/dbraw/zinc/88/88/12/748888812.db2.gz XEPCKNQDEOWWSF-UHFFFAOYSA-N 1 1 344.423 0.329 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)NCC2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC001003788425 748896282 /nfs/dbraw/zinc/89/62/82/748896282.db2.gz WYCWRRQBBSGSBA-JSGCOSHPSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)nn1 ZINC001029862435 749016410 /nfs/dbraw/zinc/01/64/10/749016410.db2.gz PWVUCTGMTISKSQ-ZFWWWQNUSA-N 1 1 346.435 0.137 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)[C@H]3CCN(C)C3=O)CC2)nc1 ZINC000985756096 749019542 /nfs/dbraw/zinc/01/95/42/749019542.db2.gz CDDDUQPGFQJDSB-KRWDZBQOSA-N 1 1 340.427 0.830 20 30 ECEDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1)CC2 ZINC001003905162 749028406 /nfs/dbraw/zinc/02/84/06/749028406.db2.gz PZXVPGNBZVWNMW-BXUZGUMPSA-N 1 1 329.404 0.488 20 30 ECEDMO C#CCC[NH+]1CCC(NC(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001003919491 749044421 /nfs/dbraw/zinc/04/44/21/749044421.db2.gz HYKUNBHEAWFPAO-AWEZNQCLSA-N 1 1 326.462 0.805 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4nnnn4c3)C[C@@H]2C1 ZINC000980144615 749062937 /nfs/dbraw/zinc/06/29/37/749062937.db2.gz PMGLNLYLDUINOC-IMJJTQAJSA-N 1 1 338.415 0.978 20 30 ECEDMO C#CC[N@H+](C)C1CCN(C(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000985794896 749118745 /nfs/dbraw/zinc/11/87/45/749118745.db2.gz JWRHVVKDCPEHDX-UHFFFAOYSA-N 1 1 329.400 0.720 20 30 ECEDMO NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C1 ZINC000980184286 749131963 /nfs/dbraw/zinc/13/19/63/749131963.db2.gz HBFDQNYDDCVVCI-BRWVUGGUSA-N 1 1 325.412 0.740 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@@H]3C2)c1 ZINC000980186648 749137799 /nfs/dbraw/zinc/13/77/99/749137799.db2.gz OGRUVGBXFMWJBW-XHSDSOJGSA-N 1 1 326.400 0.760 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nc4ncccn4n3)C[C@H]2C1 ZINC000980188312 749142295 /nfs/dbraw/zinc/14/22/95/749142295.db2.gz MDQJDTVVKBZZPH-KKUMJFAQSA-N 1 1 338.415 0.978 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001059654758 749154325 /nfs/dbraw/zinc/15/43/25/749154325.db2.gz UNHTZPARBXZUGW-UXLLHSPISA-N 1 1 343.431 0.463 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3cc(C)ncc3C#N)C2)C1 ZINC001059654758 749154330 /nfs/dbraw/zinc/15/43/30/749154330.db2.gz UNHTZPARBXZUGW-UXLLHSPISA-N 1 1 343.431 0.463 20 30 ECEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000985817055 749161048 /nfs/dbraw/zinc/16/10/48/749161048.db2.gz WRQSWLXNEMXTEF-NSHDSACASA-N 1 1 327.812 0.715 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 ZINC000980248755 749237865 /nfs/dbraw/zinc/23/78/65/749237865.db2.gz VSNCDDOFUFWRDN-RRFJBIMHSA-N 1 1 346.431 0.120 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3nccnc3C(N)=O)C[C@@H]2C1 ZINC000980241509 749246729 /nfs/dbraw/zinc/24/67/29/749246729.db2.gz FSFKFLUOJSFJOZ-MJBXVCDLSA-N 1 1 341.415 0.429 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C[C@@H]2C1 ZINC000980259324 749251259 /nfs/dbraw/zinc/25/12/59/749251259.db2.gz XXLXCHBEUPZCJP-BFHYXJOUSA-N 1 1 346.435 0.170 20 30 ECEDMO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC000980249696 749254565 /nfs/dbraw/zinc/25/45/65/749254565.db2.gz YLVOTRQOWIDCMY-KKUMJFAQSA-N 1 1 346.431 0.120 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCNC2=O)C1 ZINC000980267580 749277252 /nfs/dbraw/zinc/27/72/52/749277252.db2.gz CEPSFBAKQSXFGQ-IAGOWNOFSA-N 1 1 325.412 0.632 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1=O ZINC001029877801 749330987 /nfs/dbraw/zinc/33/09/87/749330987.db2.gz WCXRYEZIMWDGFN-GJZGRUSLSA-N 1 1 345.447 0.519 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CCNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001059674568 749340867 /nfs/dbraw/zinc/34/08/67/749340867.db2.gz QLIKONBEDXVHBA-KGLIPLIRSA-N 1 1 343.431 0.806 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088461400 749479204 /nfs/dbraw/zinc/47/92/04/749479204.db2.gz FXILYQHXEGFUPK-CJNGLKHVSA-N 1 1 342.378 0.443 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088461400 749479206 /nfs/dbraw/zinc/47/92/06/749479206.db2.gz FXILYQHXEGFUPK-CJNGLKHVSA-N 1 1 342.378 0.443 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](CC)NC(C)=O)C2)nn1 ZINC001098740344 749483605 /nfs/dbraw/zinc/48/36/05/749483605.db2.gz PNWSBDNVQDOGKK-HZPDHXFCSA-N 1 1 348.451 0.632 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](CC)NC(C)=O)C2)nn1 ZINC001098740339 749483643 /nfs/dbraw/zinc/48/36/43/749483643.db2.gz PNWSBDNVQDOGKK-CVEARBPZSA-N 1 1 348.451 0.632 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](CC)NC(C)=O)C2)nn1 ZINC001098741303 749608083 /nfs/dbraw/zinc/60/80/83/749608083.db2.gz YONZPTNTYNYCPP-GJZGRUSLSA-N 1 1 334.424 0.242 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](N(C)Cc3cnn(C)c3)C2)CC1 ZINC000980477191 749629023 /nfs/dbraw/zinc/62/90/23/749629023.db2.gz CJFOEADJNFLOMS-SFHVURJKSA-N 1 1 343.475 0.798 20 30 ECEDMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000986178161 749637230 /nfs/dbraw/zinc/63/72/30/749637230.db2.gz STXHPJWGUVMBRY-RISCZKNCSA-N 1 1 342.407 0.847 20 30 ECEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001004577138 749650373 /nfs/dbraw/zinc/65/03/73/749650373.db2.gz PYBFGYHADUZZDY-HNNXBMFYSA-N 1 1 333.432 0.928 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccn(C)n1 ZINC001027943530 749660611 /nfs/dbraw/zinc/66/06/11/749660611.db2.gz NHCGWMNLCLWKPN-SJORKVTESA-N 1 1 329.448 0.598 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccn(C)n1 ZINC001027943530 749660616 /nfs/dbraw/zinc/66/06/16/749660616.db2.gz NHCGWMNLCLWKPN-SJORKVTESA-N 1 1 329.448 0.598 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC(N)=O)CC2)nc1 ZINC001004598818 749669836 /nfs/dbraw/zinc/66/98/36/749669836.db2.gz XMYIMNSASNXIJU-KRWDZBQOSA-N 1 1 340.427 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nnc(CC)o1 ZINC001027944078 749678343 /nfs/dbraw/zinc/67/83/43/749678343.db2.gz SLLFCZXYMJOGJW-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nnc(CC)o1 ZINC001027944078 749678348 /nfs/dbraw/zinc/67/83/48/749678348.db2.gz SLLFCZXYMJOGJW-GJZGRUSLSA-N 1 1 345.447 0.810 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004638336 749717169 /nfs/dbraw/zinc/71/71/69/749717169.db2.gz ZVVMJIVYNLLRIH-GJZGRUSLSA-N 1 1 331.416 0.375 20 30 ECEDMO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000262793926 749777042 /nfs/dbraw/zinc/77/70/42/749777042.db2.gz OUGPKZPAYQNYRM-CHWSQXEVSA-N 1 1 333.484 0.776 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980579736 749808115 /nfs/dbraw/zinc/80/81/15/749808115.db2.gz WAEGDUHEFGXGSK-GVRJEKJASA-N 1 1 335.448 0.540 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980579739 749808298 /nfs/dbraw/zinc/80/82/98/749808298.db2.gz WAEGDUHEFGXGSK-QCODTGAPSA-N 1 1 335.448 0.540 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088495271 749988691 /nfs/dbraw/zinc/98/86/91/749988691.db2.gz KMHGXGRERMDXLN-DDTOSNHZSA-N 1 1 332.429 0.977 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088495271 749988696 /nfs/dbraw/zinc/98/86/96/749988696.db2.gz KMHGXGRERMDXLN-DDTOSNHZSA-N 1 1 332.429 0.977 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H](C[NH2+]Cc3cnsn3)C[C@H]2C)nn1 ZINC000980715373 750009264 /nfs/dbraw/zinc/00/92/64/750009264.db2.gz BNNGEDRBCYCJFL-NEPJUHHUSA-N 1 1 347.448 0.956 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3cccc(Cl)c3)C2)C1 ZINC001030182109 762009286 /nfs/dbraw/zinc/00/92/86/762009286.db2.gz HXSFHJGVMYLGKG-KRWDZBQOSA-N 1 1 347.846 0.823 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CC#Cc3cccc(Cl)c3)C2)C1 ZINC001030182109 762009296 /nfs/dbraw/zinc/00/92/96/762009296.db2.gz HXSFHJGVMYLGKG-KRWDZBQOSA-N 1 1 347.846 0.823 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058846583 750115007 /nfs/dbraw/zinc/11/50/07/750115007.db2.gz AEMAFZHUARVBIS-MAUKXSAKSA-N 1 1 339.480 0.868 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058846696 750115792 /nfs/dbraw/zinc/11/57/92/750115792.db2.gz COCIBMKTDNNDHQ-JKSUJKDBSA-N 1 1 339.480 0.868 20 30 ECEDMO CC(C)COCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 ZINC001098634230 750288148 /nfs/dbraw/zinc/28/81/48/750288148.db2.gz QDJIIQUBRKVJPF-GDBMZVCRSA-N 1 1 348.451 0.973 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001028010652 750357704 /nfs/dbraw/zinc/35/77/04/750357704.db2.gz YOLXWQYGYHWADV-HNNXBMFYSA-N 1 1 329.400 0.768 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN2CCCC2)CC1 ZINC001168162679 750402270 /nfs/dbraw/zinc/40/22/70/750402270.db2.gz QNEWRIMCGCBVTJ-OAHLLOKOSA-N 1 1 334.464 0.096 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1=O ZINC000980974576 750423312 /nfs/dbraw/zinc/42/33/12/750423312.db2.gz XLNXSUSWHYZOES-CABCVRRESA-N 1 1 349.431 0.261 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1=O ZINC000980974576 750423317 /nfs/dbraw/zinc/42/33/17/750423317.db2.gz XLNXSUSWHYZOES-CABCVRRESA-N 1 1 349.431 0.261 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC000991604197 762037086 /nfs/dbraw/zinc/03/70/86/762037086.db2.gz AXXPORKOSBGNEM-CABCVRRESA-N 1 1 348.447 0.872 20 30 ECEDMO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCNC1=O ZINC001028072665 750485479 /nfs/dbraw/zinc/48/54/79/750485479.db2.gz MTDMRSFJXWOXTA-SJORKVTESA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)[C@H]1CCNC1=O ZINC001028072665 750485485 /nfs/dbraw/zinc/48/54/85/750485485.db2.gz MTDMRSFJXWOXTA-SJORKVTESA-N 1 1 325.412 0.755 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)cc1F ZINC001028072968 750487716 /nfs/dbraw/zinc/48/77/16/750487716.db2.gz PLOHIRNYGNGOTO-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)cc1F ZINC001028072968 750487722 /nfs/dbraw/zinc/48/77/22/750487722.db2.gz PLOHIRNYGNGOTO-CABCVRRESA-N 1 1 344.390 0.914 20 30 ECEDMO C=CCn1cc(C(=O)NCCC[NH2+]Cc2nc(CC3CC3)no2)nn1 ZINC001167838401 750520120 /nfs/dbraw/zinc/52/01/20/750520120.db2.gz FCQNXKHSWZQQAQ-UHFFFAOYSA-N 1 1 345.407 0.709 20 30 ECEDMO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CC)[C@@H]2C)nn1 ZINC000987133440 750528395 /nfs/dbraw/zinc/52/83/95/750528395.db2.gz KUGGARJPELGOMH-QWHCGFSZSA-N 1 1 344.423 0.468 20 30 ECEDMO CC#CCN1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740716 750577498 /nfs/dbraw/zinc/57/74/98/750577498.db2.gz HARODCKLZHCMDM-URSIVYNOSA-N 1 1 331.460 0.796 20 30 ECEDMO CC#CCN1CCC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740716 750577504 /nfs/dbraw/zinc/57/75/04/750577504.db2.gz HARODCKLZHCMDM-URSIVYNOSA-N 1 1 331.460 0.796 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cnc[nH]c3=O)CC2)C1=O ZINC000981418161 750676828 /nfs/dbraw/zinc/67/68/28/750676828.db2.gz ZTFHLTQCIQNKFI-AWEZNQCLSA-N 1 1 345.403 0.117 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cnc[nH]c3=O)CC2)C1=O ZINC000981418161 750676829 /nfs/dbraw/zinc/67/68/29/750676829.db2.gz ZTFHLTQCIQNKFI-AWEZNQCLSA-N 1 1 345.403 0.117 20 30 ECEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)CN2CCNC(=O)C2)CC1 ZINC001005818689 750679392 /nfs/dbraw/zinc/67/93/92/750679392.db2.gz SRMUTJVCPPCWDT-UHFFFAOYSA-N 1 1 328.844 0.094 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059794321 750755068 /nfs/dbraw/zinc/75/50/68/750755068.db2.gz FRMFYNFGFFAUSY-VNHYZAJKSA-N 1 1 344.419 0.517 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001059794321 750755069 /nfs/dbraw/zinc/75/50/69/750755069.db2.gz FRMFYNFGFFAUSY-VNHYZAJKSA-N 1 1 344.419 0.517 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CC[NH+](CC(=O)NC3CC3)CC2)c1 ZINC001005967960 750864375 /nfs/dbraw/zinc/86/43/75/750864375.db2.gz HJTXADRFOJOHBW-UHFFFAOYSA-N 1 1 340.427 0.878 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC000981672011 750951628 /nfs/dbraw/zinc/95/16/28/750951628.db2.gz LVCRAKTVUFSCSA-UONOGXRCSA-N 1 1 339.461 0.505 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC000981672011 750951631 /nfs/dbraw/zinc/95/16/31/750951631.db2.gz LVCRAKTVUFSCSA-UONOGXRCSA-N 1 1 339.461 0.505 20 30 ECEDMO CNC(=O)[C@H](C)[N@H+]1CCCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000981694159 750980215 /nfs/dbraw/zinc/98/02/15/750980215.db2.gz CEDCLJCSAJUNMA-LBPRGKRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000981694454 750981080 /nfs/dbraw/zinc/98/10/80/750981080.db2.gz HDKNTGMVTXSOMQ-CYBMUJFWSA-N 1 1 343.431 0.901 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N(C)C)CC1 ZINC001006124152 751044213 /nfs/dbraw/zinc/04/42/13/751044213.db2.gz RVDCNPJDFWRYNP-RDJZCZTQSA-N 1 1 337.464 0.979 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000987646272 751051883 /nfs/dbraw/zinc/05/18/83/751051883.db2.gz RLCMQQAPUMUDJZ-BYCMXARLSA-N 1 1 329.404 0.700 20 30 ECEDMO O=C(C#CC1CC1)N1CC2(C1)CCC[N@@H+](CCN1CCCC1=O)C2 ZINC000981758353 751079950 /nfs/dbraw/zinc/07/99/50/751079950.db2.gz MOHFJFWNMRSYBL-UHFFFAOYSA-N 1 1 329.444 0.947 20 30 ECEDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001006179539 751091654 /nfs/dbraw/zinc/09/16/54/751091654.db2.gz DGZCGGKXSYXJSV-HWWQOWPSSA-N 1 1 343.431 0.803 20 30 ECEDMO C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC000981795638 751112267 /nfs/dbraw/zinc/11/22/67/751112267.db2.gz CUOBTJHFPMQCAM-HNNXBMFYSA-N 1 1 333.432 0.039 20 30 ECEDMO Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)n1 ZINC001059824418 751118154 /nfs/dbraw/zinc/11/81/54/751118154.db2.gz AFAOHWHQKSGQDK-PBOSXPJTSA-N 1 1 328.420 0.914 20 30 ECEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H](Cn3cccn3)N(C)C)C2)C1 ZINC000981812666 751133760 /nfs/dbraw/zinc/13/37/60/751133760.db2.gz SIZOVOIOMKLIKB-KRWDZBQOSA-N 1 1 343.475 0.761 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC1 ZINC001028142464 751200633 /nfs/dbraw/zinc/20/06/33/751200633.db2.gz MOLAQCAOSDVQIV-XHSDSOJGSA-N 1 1 335.448 0.779 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001028142464 751200635 /nfs/dbraw/zinc/20/06/35/751200635.db2.gz MOLAQCAOSDVQIV-XHSDSOJGSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccsn2)C1 ZINC001006312382 751230308 /nfs/dbraw/zinc/23/03/08/751230308.db2.gz BDQDXNNSBWGAAP-DOMZBBRYSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccsn2)C1 ZINC001006312382 751230310 /nfs/dbraw/zinc/23/03/10/751230310.db2.gz BDQDXNNSBWGAAP-DOMZBBRYSA-N 1 1 346.456 0.817 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccccn2)C1 ZINC001006312313 751230317 /nfs/dbraw/zinc/23/03/17/751230317.db2.gz DFKFAPRPPWNDAU-YOEHRIQHSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccccn2)C1 ZINC001006312313 751230319 /nfs/dbraw/zinc/23/03/19/751230319.db2.gz DFKFAPRPPWNDAU-YOEHRIQHSA-N 1 1 340.427 0.756 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2[nH]cnc2C)C1 ZINC001006313025 751231798 /nfs/dbraw/zinc/23/17/98/751231798.db2.gz DWBLUYPLDACFQJ-WFASDCNBSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2[nH]cnc2C)C1 ZINC001006313025 751231803 /nfs/dbraw/zinc/23/18/03/751231803.db2.gz DWBLUYPLDACFQJ-WFASDCNBSA-N 1 1 343.431 0.392 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C(C)C ZINC001058900057 751231753 /nfs/dbraw/zinc/23/17/53/751231753.db2.gz CAVKXRNTTLJOMV-CVEARBPZSA-N 1 1 337.464 0.313 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C(C)C ZINC001058900057 751231759 /nfs/dbraw/zinc/23/17/59/751231759.db2.gz CAVKXRNTTLJOMV-CVEARBPZSA-N 1 1 337.464 0.313 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccncn2)C1 ZINC001006320973 751243226 /nfs/dbraw/zinc/24/32/26/751243226.db2.gz QDVMPTOAJVUYKI-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccncn2)C1 ZINC001006320973 751243229 /nfs/dbraw/zinc/24/32/29/751243229.db2.gz QDVMPTOAJVUYKI-CJNGLKHVSA-N 1 1 341.415 0.151 20 30 ECEDMO COCCN(CCNC(=O)Cn1cc[nH+]c1C)c1ccc(C#N)nc1 ZINC001126349735 752314652 /nfs/dbraw/zinc/31/46/52/752314652.db2.gz OUKATAVYJJIAHK-UHFFFAOYSA-N 1 1 342.403 0.727 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001007358217 752325638 /nfs/dbraw/zinc/32/56/38/752325638.db2.gz WBFGZKUSCKMYSN-OAGGEKHMSA-N 1 1 333.436 0.840 20 30 ECEDMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1nc(C)cc(C#N)n1 ZINC001126355242 752381220 /nfs/dbraw/zinc/38/12/20/752381220.db2.gz GFCTUAUVSNDKFL-AWEZNQCLSA-N 1 1 346.435 0.177 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001020981209 752397030 /nfs/dbraw/zinc/39/70/30/752397030.db2.gz BCNDEWCQARRJER-DAXOMENPSA-N 1 1 338.415 0.732 20 30 ECEDMO CCn1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC000988642641 752459204 /nfs/dbraw/zinc/45/92/04/752459204.db2.gz ARTUAODIQNCJKF-WCQYABFASA-N 1 1 327.392 0.891 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(C)ncn2)C1 ZINC001007519093 752475209 /nfs/dbraw/zinc/47/52/09/752475209.db2.gz IULXAJJGLOLKJL-AEFFLSMTSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(C)ncn2)C1 ZINC001007519093 752475214 /nfs/dbraw/zinc/47/52/14/752475214.db2.gz IULXAJJGLOLKJL-AEFFLSMTSA-N 1 1 341.459 0.963 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)N(C)C2CC2)C1 ZINC001007519088 752476082 /nfs/dbraw/zinc/47/60/82/752476082.db2.gz IRWVZKMYQWPGBZ-WBVHZDCISA-N 1 1 346.475 0.285 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)N(C)C2CC2)C1 ZINC001007519088 752476083 /nfs/dbraw/zinc/47/60/83/752476083.db2.gz IRWVZKMYQWPGBZ-WBVHZDCISA-N 1 1 346.475 0.285 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C)on3)C2)C1=O ZINC001028391777 752529702 /nfs/dbraw/zinc/52/97/02/752529702.db2.gz REKXQIXTMRXPON-UKRRQHHQSA-N 1 1 332.404 0.822 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC000937851087 752563679 /nfs/dbraw/zinc/56/36/79/752563679.db2.gz PERFBSIIGWLEFH-JSGCOSHPSA-N 1 1 329.404 0.559 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)s1 ZINC001028420568 752591523 /nfs/dbraw/zinc/59/15/23/752591523.db2.gz MFWQBZQGOUQHIP-IUODEOHRSA-N 1 1 335.429 0.973 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3COCCO3)C2)s1 ZINC001028420570 752591904 /nfs/dbraw/zinc/59/19/04/752591904.db2.gz MFWQBZQGOUQHIP-WFASDCNBSA-N 1 1 335.429 0.973 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001007635881 752682833 /nfs/dbraw/zinc/68/28/33/752682833.db2.gz JSDFQJIPEZNYMD-CQSZACIVSA-N 1 1 326.462 0.968 20 30 ECEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001007635881 752682836 /nfs/dbraw/zinc/68/28/36/752682836.db2.gz JSDFQJIPEZNYMD-CQSZACIVSA-N 1 1 326.462 0.968 20 30 ECEDMO N#Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)c[nH]1 ZINC001021234262 752685277 /nfs/dbraw/zinc/68/52/77/752685277.db2.gz HJRMMDWXAPBHEJ-VHRNVKJDSA-N 1 1 339.403 0.903 20 30 ECEDMO Cn1cc(CC[N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001028486944 752815976 /nfs/dbraw/zinc/81/59/76/752815976.db2.gz NNSHJUCCCXIHTK-CYBMUJFWSA-N 1 1 326.404 0.914 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3cc(C)ncn3)C2)C1=O ZINC001028488529 752824636 /nfs/dbraw/zinc/82/46/36/752824636.db2.gz NIDSRBDHHBQIAR-GDBMZVCRSA-N 1 1 343.431 0.624 20 30 ECEDMO C[C@@H](c1nncn1C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028491726 752835630 /nfs/dbraw/zinc/83/56/30/752835630.db2.gz IWJVOZUSNSGBAT-NWDGAFQWSA-N 1 1 327.392 0.828 20 30 ECEDMO C[C@@H](c1nncn1C)[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028491726 752835634 /nfs/dbraw/zinc/83/56/34/752835634.db2.gz IWJVOZUSNSGBAT-NWDGAFQWSA-N 1 1 327.392 0.828 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000982544372 752848588 /nfs/dbraw/zinc/84/85/88/752848588.db2.gz BZOHZFSCZCRSCH-RHSMWYFYSA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CCOC)c2C)[C@@H](O)C1 ZINC001083458272 752866668 /nfs/dbraw/zinc/86/66/68/752866668.db2.gz FUXGDQHQCWDPLZ-CVEARBPZSA-N 1 1 336.436 0.579 20 30 ECEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3cnn(C)n3)C[C@@]2(C)C1 ZINC000982560526 752896385 /nfs/dbraw/zinc/89/63/85/752896385.db2.gz KVPYZQLUVVIMEZ-HDICACEKSA-N 1 1 329.448 0.941 20 30 ECEDMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)CN1C(=O)C#CC1CC1 ZINC000988826071 752939448 /nfs/dbraw/zinc/93/94/48/752939448.db2.gz NFMHPSDFAHSQPE-GXTWGEPZSA-N 1 1 330.436 0.921 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3nccn3CC)C2)C1=O ZINC001028510403 752992413 /nfs/dbraw/zinc/99/24/13/752992413.db2.gz ASFWHRYEPMYKJE-LSDHHAIUSA-N 1 1 345.447 0.742 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nnnn1-c1ccccc1 ZINC001126377769 753015873 /nfs/dbraw/zinc/01/58/73/753015873.db2.gz FPMOWZBOCHBLES-INIZCTEOSA-N 1 1 330.392 0.195 20 30 ECEDMO C=C[C@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001059942680 753087396 /nfs/dbraw/zinc/08/73/96/753087396.db2.gz ZNSRTICYGGMTSS-QAPCUYQASA-N 1 1 348.447 0.873 20 30 ECEDMO C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1C ZINC001105846144 762190509 /nfs/dbraw/zinc/19/05/09/762190509.db2.gz JPBCTIMWDBCNEF-HUUCEWRRSA-N 1 1 345.447 0.908 20 30 ECEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001008064121 753260967 /nfs/dbraw/zinc/26/09/67/753260967.db2.gz SMIRSXWCFJDDHS-KGLIPLIRSA-N 1 1 329.391 0.556 20 30 ECEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001008064121 753260971 /nfs/dbraw/zinc/26/09/71/753260971.db2.gz SMIRSXWCFJDDHS-KGLIPLIRSA-N 1 1 329.391 0.556 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1 ZINC001008065986 753264229 /nfs/dbraw/zinc/26/42/29/753264229.db2.gz QIWRGGYUUVTOOU-DOMZBBRYSA-N 1 1 343.431 0.805 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001008125598 753345226 /nfs/dbraw/zinc/34/52/26/753345226.db2.gz YGAVYZBCJMLSED-LBPRGKRZSA-N 1 1 330.396 0.464 20 30 ECEDMO CCCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)s1 ZINC001051495472 762208640 /nfs/dbraw/zinc/20/86/40/762208640.db2.gz VDRGBFZFXXQFFQ-NWDGAFQWSA-N 1 1 337.449 0.967 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C3CC3)s2)C1 ZINC001051495783 762209577 /nfs/dbraw/zinc/20/95/77/762209577.db2.gz YFGVUXYPZCLNDA-JQWIXIFHSA-N 1 1 335.433 0.892 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)C1 ZINC001008170465 753412267 /nfs/dbraw/zinc/41/22/67/753412267.db2.gz KKVMCHOSPHNHHZ-IUODEOHRSA-N 1 1 343.431 0.805 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000982730476 753431333 /nfs/dbraw/zinc/43/13/33/753431333.db2.gz JAVFLFOIDAVRPQ-GJZGRUSLSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000982730476 753431336 /nfs/dbraw/zinc/43/13/36/753431336.db2.gz JAVFLFOIDAVRPQ-GJZGRUSLSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000982733363 753438509 /nfs/dbraw/zinc/43/85/09/753438509.db2.gz BCTZLDVQSXXOBC-HOTGVXAUSA-N 1 1 347.459 0.354 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000982733363 753438511 /nfs/dbraw/zinc/43/85/11/753438511.db2.gz BCTZLDVQSXXOBC-HOTGVXAUSA-N 1 1 347.459 0.354 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001008232800 753488725 /nfs/dbraw/zinc/48/87/25/753488725.db2.gz PBGSUFHVFQQZBN-AALSBFMBSA-N 1 1 333.432 0.246 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001008232800 753488730 /nfs/dbraw/zinc/48/87/30/753488730.db2.gz PBGSUFHVFQQZBN-AALSBFMBSA-N 1 1 333.432 0.246 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cocn2)CC1(C)C ZINC001008277468 753540351 /nfs/dbraw/zinc/54/03/51/753540351.db2.gz ORRPAKGBCHAOFT-LSDHHAIUSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cocn2)CC1(C)C ZINC001008277468 753540357 /nfs/dbraw/zinc/54/03/57/753540357.db2.gz ORRPAKGBCHAOFT-LSDHHAIUSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnco2)CC1(C)C ZINC001008278853 753541550 /nfs/dbraw/zinc/54/15/50/753541550.db2.gz UEPDDTWNHQLXOR-DZGCQCFKSA-N 1 1 344.415 0.739 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnco2)CC1(C)C ZINC001008278853 753541552 /nfs/dbraw/zinc/54/15/52/753541552.db2.gz UEPDDTWNHQLXOR-DZGCQCFKSA-N 1 1 344.415 0.739 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@]2(C)C1 ZINC000982782609 753550323 /nfs/dbraw/zinc/55/03/23/753550323.db2.gz OKGYMNRMNJCERX-DOPJRALCSA-N 1 1 348.447 0.721 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001008311996 753589471 /nfs/dbraw/zinc/58/94/71/753589471.db2.gz VRJOHBQWTOKFSN-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnc(C)n3C)C2)C1=O ZINC001008311996 753589476 /nfs/dbraw/zinc/58/94/76/753589476.db2.gz VRJOHBQWTOKFSN-GJZGRUSLSA-N 1 1 345.447 0.710 20 30 ECEDMO CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)c1[nH]nnc1C)CCO2 ZINC001105476015 753624628 /nfs/dbraw/zinc/62/46/28/753624628.db2.gz WDNXCCPLTJWQSK-UHFFFAOYSA-N 1 1 331.420 0.880 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)n1cccn1 ZINC001083350315 753640635 /nfs/dbraw/zinc/64/06/35/753640635.db2.gz LQUSAHZICFHVJM-XYPHTWIQSA-N 1 1 339.399 0.677 20 30 ECEDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)n1cccn1 ZINC001083350315 753640641 /nfs/dbraw/zinc/64/06/41/753640641.db2.gz LQUSAHZICFHVJM-XYPHTWIQSA-N 1 1 339.399 0.677 20 30 ECEDMO CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)CCc1c[nH]nn1)CCO2 ZINC001105482159 753714361 /nfs/dbraw/zinc/71/43/61/753714361.db2.gz WSAUVIIXTRKLLX-UHFFFAOYSA-N 1 1 345.447 0.890 20 30 ECEDMO CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)CCc1cnn[nH]1)CCO2 ZINC001105482159 753714368 /nfs/dbraw/zinc/71/43/68/753714368.db2.gz WSAUVIIXTRKLLX-UHFFFAOYSA-N 1 1 345.447 0.890 20 30 ECEDMO CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)Cc1ncn[nH]1)CCO2 ZINC001105485319 753719921 /nfs/dbraw/zinc/71/99/21/753719921.db2.gz BGPDHIXUPXSFME-UHFFFAOYSA-N 1 1 331.420 0.500 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)c1 ZINC001083374663 753722202 /nfs/dbraw/zinc/72/22/02/753722202.db2.gz NUKMXPZLHRHJCR-CVEARBPZSA-N 1 1 326.356 0.450 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)c1 ZINC001083374663 753722205 /nfs/dbraw/zinc/72/22/05/753722205.db2.gz NUKMXPZLHRHJCR-CVEARBPZSA-N 1 1 326.356 0.450 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001008463042 753767610 /nfs/dbraw/zinc/76/76/10/753767610.db2.gz FGVILGQVCNDALY-CYBMUJFWSA-N 1 1 334.420 0.475 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001008463042 753767613 /nfs/dbraw/zinc/76/76/13/753767613.db2.gz FGVILGQVCNDALY-CYBMUJFWSA-N 1 1 334.420 0.475 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)c2nccnc2C#N)CC[N@H+]1C ZINC001105582209 753862513 /nfs/dbraw/zinc/86/25/13/753862513.db2.gz PVDFLCPZDQVJIL-DZGCQCFKSA-N 1 1 330.436 0.973 20 30 ECEDMO CN(CCN(C)c1ccncc1C#N)C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001105583028 753863597 /nfs/dbraw/zinc/86/35/97/753863597.db2.gz FOPAUKIFVNCVST-WBVHZDCISA-N 1 1 343.431 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nonc2C)C1 ZINC001028600788 753875701 /nfs/dbraw/zinc/87/57/01/753875701.db2.gz DBNOAQXSQNUHJP-ZBFHGGJFSA-N 1 1 331.420 0.414 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nonc2C)C1 ZINC001028600788 753875704 /nfs/dbraw/zinc/87/57/04/753875704.db2.gz DBNOAQXSQNUHJP-ZBFHGGJFSA-N 1 1 331.420 0.414 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001008671723 754007929 /nfs/dbraw/zinc/00/79/29/754007929.db2.gz OFSPAXRKFKPFTP-HIFRSBDPSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001008671723 754007936 /nfs/dbraw/zinc/00/79/36/754007936.db2.gz OFSPAXRKFKPFTP-HIFRSBDPSA-N 1 1 331.420 0.320 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)[nH]3)C[C@H]2C)nn1 ZINC000989536901 754081348 /nfs/dbraw/zinc/08/13/48/754081348.db2.gz PMNMDIJQWIKGIA-ZYHUDNBSSA-N 1 1 330.396 0.283 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(NC(=O)C(F)F)CCC[C@H]12 ZINC001014123298 762266251 /nfs/dbraw/zinc/26/62/51/762266251.db2.gz FNTRFCJAYKFDNI-GDZNZVCISA-N 1 1 339.386 0.989 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(NC(=O)C(F)F)CCC[C@H]12 ZINC001014123298 762266257 /nfs/dbraw/zinc/26/62/57/762266257.db2.gz FNTRFCJAYKFDNI-GDZNZVCISA-N 1 1 339.386 0.989 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nonc3C)C[C@H]2C)nn1 ZINC000989544477 754092685 /nfs/dbraw/zinc/09/26/85/754092685.db2.gz RVHYXZCNSQSZCL-DGCLKSJQSA-N 1 1 345.407 0.938 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cnc3ccc(OC)nn32)C1 ZINC001028640952 754146624 /nfs/dbraw/zinc/14/66/24/754146624.db2.gz YKONTAABUGHMLZ-ZDUSSCGKSA-N 1 1 327.388 0.813 20 30 ECEDMO Cc1nnc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)[nH]1 ZINC001051524790 762275992 /nfs/dbraw/zinc/27/59/92/762275992.db2.gz XQENEHZSPRDGAH-MFKMUULPSA-N 1 1 343.391 0.505 20 30 ECEDMO Cc1nnc([C@H](C)[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)[nH]1 ZINC001051524788 762276141 /nfs/dbraw/zinc/27/61/41/762276141.db2.gz XQENEHZSPRDGAH-GWCFXTLKSA-N 1 1 343.391 0.505 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C2CCOCC2)C1 ZINC000982924480 754209409 /nfs/dbraw/zinc/20/94/09/754209409.db2.gz XUKYNNUVVCQGIB-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C2CCOCC2)C1 ZINC000982924480 754209415 /nfs/dbraw/zinc/20/94/15/754209415.db2.gz XUKYNNUVVCQGIB-WBVHZDCISA-N 1 1 347.459 0.475 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1 ZINC001008916660 754305394 /nfs/dbraw/zinc/30/53/94/754305394.db2.gz CONSZJMUDFJQOX-TUVASFSCSA-N 1 1 341.415 0.272 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000983062817 754528185 /nfs/dbraw/zinc/52/81/85/754528185.db2.gz CVAYNSFAQFFVTL-HOCLYGCPSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000983062817 754528188 /nfs/dbraw/zinc/52/81/88/754528188.db2.gz CVAYNSFAQFFVTL-HOCLYGCPSA-N 1 1 343.431 0.394 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2OCC(N)=O)C1 ZINC001028672803 754564565 /nfs/dbraw/zinc/56/45/65/754564565.db2.gz PGBDHTDLACOHQI-CQSZACIVSA-N 1 1 329.400 0.626 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001060002899 754586151 /nfs/dbraw/zinc/58/61/51/754586151.db2.gz FYUDGJOFJWOGFU-UONOGXRCSA-N 1 1 328.420 0.515 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)C1 ZINC000990002061 754637700 /nfs/dbraw/zinc/63/77/00/754637700.db2.gz PUDDSXJLEWWIHK-IOASZLSFSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@H]3CC3(C)C)C[C@H]21 ZINC001009193992 754637950 /nfs/dbraw/zinc/63/79/50/754637950.db2.gz VFZWHSNSBPGQPV-UUAJXVIYSA-N 1 1 343.471 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@H]3CC3(C)C)C[C@H]21 ZINC001009193992 754637954 /nfs/dbraw/zinc/63/79/54/754637954.db2.gz VFZWHSNSBPGQPV-UUAJXVIYSA-N 1 1 343.471 0.951 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1cc(C)ncc1C#N ZINC001105873201 762319495 /nfs/dbraw/zinc/31/94/95/762319495.db2.gz NLHQDOGECLWXGH-RDJZCZTQSA-N 1 1 345.447 0.447 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3cncn3C)C2)C1=O ZINC001009207296 754654434 /nfs/dbraw/zinc/65/44/34/754654434.db2.gz ILQHNYDEISSGKG-ZBFHGGJFSA-N 1 1 345.447 0.330 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3cncn3C)C2)C1=O ZINC001009207296 754654439 /nfs/dbraw/zinc/65/44/39/754654439.db2.gz ILQHNYDEISSGKG-ZBFHGGJFSA-N 1 1 345.447 0.330 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001009272656 754729337 /nfs/dbraw/zinc/72/93/37/754729337.db2.gz YSVITRDDTJFASG-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nc1 ZINC001009272656 754729342 /nfs/dbraw/zinc/72/93/42/754729342.db2.gz YSVITRDDTJFASG-DOTOQJQBSA-N 1 1 340.427 0.878 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC001009274079 754731118 /nfs/dbraw/zinc/73/11/18/754731118.db2.gz HJFKGIHJWYZLOV-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)cn1 ZINC001009274079 754731124 /nfs/dbraw/zinc/73/11/24/754731124.db2.gz HJFKGIHJWYZLOV-HZPDHXFCSA-N 1 1 326.400 0.488 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001028712864 754796338 /nfs/dbraw/zinc/79/63/38/754796338.db2.gz DFAINDCDQACYAJ-CYBMUJFWSA-N 1 1 325.376 0.132 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)cc1 ZINC001028731127 754888058 /nfs/dbraw/zinc/88/80/58/754888058.db2.gz ZYYOTYLJDCHAAK-WBVHZDCISA-N 1 1 325.412 0.998 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028735208 754916056 /nfs/dbraw/zinc/91/60/56/754916056.db2.gz IOBQGRJATCBUSA-WBMJQRKESA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028735208 754916061 /nfs/dbraw/zinc/91/60/61/754916061.db2.gz IOBQGRJATCBUSA-WBMJQRKESA-N 1 1 344.390 0.772 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)cc1 ZINC001028735042 754920042 /nfs/dbraw/zinc/92/00/42/754920042.db2.gz FYUYGGGXQFGDGD-HZPDHXFCSA-N 1 1 326.400 0.632 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccccc2O)C1 ZINC000990276170 754930503 /nfs/dbraw/zinc/93/05/03/754930503.db2.gz RXCMZYQFVIZISY-HNNXBMFYSA-N 1 1 327.384 0.430 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccccc2O)C1 ZINC000990276170 754930506 /nfs/dbraw/zinc/93/05/06/754930506.db2.gz RXCMZYQFVIZISY-HNNXBMFYSA-N 1 1 327.384 0.430 20 30 ECEDMO C=CCN1CC[C@@H](N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001009526561 754978762 /nfs/dbraw/zinc/97/87/62/754978762.db2.gz ZXGIKYLDSPNIPV-HZPDHXFCSA-N 1 1 345.447 0.559 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)s1 ZINC001028773193 755064272 /nfs/dbraw/zinc/06/42/72/755064272.db2.gz JIRCSHAFIYREOD-GWCFXTLKSA-N 1 1 333.417 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2nocc2C)C1 ZINC000983298401 755090845 /nfs/dbraw/zinc/09/08/45/755090845.db2.gz XWCDSGXCMLCKQU-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2nocc2C)C1 ZINC000983298401 755090850 /nfs/dbraw/zinc/09/08/50/755090850.db2.gz XWCDSGXCMLCKQU-GJZGRUSLSA-N 1 1 344.415 0.659 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)Cc2cnc[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000990430490 755161313 /nfs/dbraw/zinc/16/13/13/755161313.db2.gz JGYDWVRNIXRBQS-MFKMUULPSA-N 1 1 326.360 0.571 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@@H](O)C1 ZINC001083468053 755170341 /nfs/dbraw/zinc/17/03/41/755170341.db2.gz GOXQFAZERQEALE-VQHPVUNQSA-N 1 1 342.443 0.339 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)[C@@H](O)C1 ZINC001083468053 755170345 /nfs/dbraw/zinc/17/03/45/755170345.db2.gz GOXQFAZERQEALE-VQHPVUNQSA-N 1 1 342.443 0.339 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3cnc[nH]3)[C@H]2C)nc1 ZINC000990438771 755183416 /nfs/dbraw/zinc/18/34/16/755183416.db2.gz XLGKHYCOMBOARA-DOMZBBRYSA-N 1 1 337.383 0.748 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001028807839 755194308 /nfs/dbraw/zinc/19/43/08/755194308.db2.gz UMVFPZQGKPGVAE-OAGGEKHMSA-N 1 1 326.400 0.618 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001028855200 755317623 /nfs/dbraw/zinc/31/76/23/755317623.db2.gz WYGXTCGKVSCNLQ-AWEZNQCLSA-N 1 1 343.435 0.840 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000990517807 755322355 /nfs/dbraw/zinc/32/23/55/755322355.db2.gz QMDBAXTVJGFVMF-KRWDZBQOSA-N 1 1 325.412 0.632 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001028862912 755334053 /nfs/dbraw/zinc/33/40/53/755334053.db2.gz ZMXWMAGJJUGGJH-BRWVUGGUSA-N 1 1 330.432 0.750 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4coc(C)n4)[C@@H]3C2)C1=O ZINC001075723475 755339812 /nfs/dbraw/zinc/33/98/12/755339812.db2.gz RAENIUTYKOUAMI-CWRNSKLLSA-N 1 1 344.415 0.916 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@@H](O)C1 ZINC001083481196 755624799 /nfs/dbraw/zinc/62/47/99/755624799.db2.gz VEGOWGFVHVRHIP-CABCVRRESA-N 1 1 330.388 0.875 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@@H](O)C1 ZINC001083481196 755624801 /nfs/dbraw/zinc/62/48/01/755624801.db2.gz VEGOWGFVHVRHIP-CABCVRRESA-N 1 1 330.388 0.875 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990705025 755655153 /nfs/dbraw/zinc/65/51/53/755655153.db2.gz XEJIZVXJDQNRTE-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3c(=O)o2)[C@@H](O)C1 ZINC001083493866 755693530 /nfs/dbraw/zinc/69/35/30/755693530.db2.gz YEQNRCWJHRAHLO-CABCVRRESA-N 1 1 326.352 0.591 20 30 ECEDMO C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@H](C)NC(C)=O)CC1 ZINC001105674526 755810029 /nfs/dbraw/zinc/81/00/29/755810029.db2.gz YRNJMWBKPIECEM-JCGIZDLHSA-N 1 1 348.491 0.837 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)[C@@H](O)C1 ZINC001083531393 755952345 /nfs/dbraw/zinc/95/23/45/755952345.db2.gz LZGVQQURHFTRMR-OAGGEKHMSA-N 1 1 329.400 0.251 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(cn2)OCCO3)[C@@H](O)C1 ZINC001083532987 755963646 /nfs/dbraw/zinc/96/36/46/755963646.db2.gz SMVNJEUOFWQRSE-KGLIPLIRSA-N 1 1 333.388 0.594 20 30 ECEDMO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001051598110 762432141 /nfs/dbraw/zinc/43/21/41/762432141.db2.gz MFKCBLFDUURZKK-HZPDHXFCSA-N 1 1 337.464 0.721 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CC(=O)NCC)C2)nn1 ZINC001098661319 756036793 /nfs/dbraw/zinc/03/67/93/756036793.db2.gz JPYKWRRUOFPOSJ-AWEZNQCLSA-N 1 1 334.424 0.243 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nncn4CC3)[C@@H]2C1 ZINC001076064345 756048246 /nfs/dbraw/zinc/04/82/46/756048246.db2.gz REOSCZADNAKIKL-HRCADAONSA-N 1 1 327.432 0.787 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4csnn4)[C@@H]3C2)C1=O ZINC001076095920 756081595 /nfs/dbraw/zinc/08/15/95/756081595.db2.gz UAWVHXLBHBJKKL-FPMFFAJLSA-N 1 1 347.444 0.471 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001010397936 756082047 /nfs/dbraw/zinc/08/20/47/756082047.db2.gz NKDGOHIJDKMMAS-HIFRSBDPSA-N 1 1 332.404 0.503 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001010397936 756082050 /nfs/dbraw/zinc/08/20/50/756082050.db2.gz NKDGOHIJDKMMAS-HIFRSBDPSA-N 1 1 332.404 0.503 20 30 ECEDMO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001076178688 756177862 /nfs/dbraw/zinc/17/78/62/756177862.db2.gz JYUPCMZJVFZTRT-UGSOOPFHSA-N 1 1 343.431 0.997 20 30 ECEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001076187848 756188895 /nfs/dbraw/zinc/18/88/95/756188895.db2.gz PKJUQNGQGMXMRR-DOTOQJQBSA-N 1 1 349.394 0.988 20 30 ECEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001076187848 756188899 /nfs/dbraw/zinc/18/88/99/756188899.db2.gz PKJUQNGQGMXMRR-DOTOQJQBSA-N 1 1 349.394 0.988 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CCNC(=O)C1 ZINC001010500954 756188949 /nfs/dbraw/zinc/18/89/49/756188949.db2.gz ZEWCDVCKJJSSMX-DLBZAZTESA-N 1 1 325.412 0.755 20 30 ECEDMO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCNC(=O)C1 ZINC001010500954 756188954 /nfs/dbraw/zinc/18/89/54/756188954.db2.gz ZEWCDVCKJJSSMX-DLBZAZTESA-N 1 1 325.412 0.755 20 30 ECEDMO COc1nscc1C[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051608576 762457140 /nfs/dbraw/zinc/45/71/40/762457140.db2.gz DZHJDPMRMIELTD-AWEZNQCLSA-N 1 1 335.429 0.882 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)C1 ZINC001010651597 756352974 /nfs/dbraw/zinc/35/29/74/756352974.db2.gz MZDFDDWBUGEAJP-MRXNPFEDSA-N 1 1 329.444 0.803 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(C(=O)C#CC2CC2)C3)C1 ZINC001010660613 756362535 /nfs/dbraw/zinc/36/25/35/756362535.db2.gz ALGVECNKFNMTNT-INIZCTEOSA-N 1 1 329.444 0.803 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)nn3)[C@@H]2C1 ZINC001076355031 756413866 /nfs/dbraw/zinc/41/38/66/756413866.db2.gz SVFJQNSCIIGARV-GOEBONIOSA-N 1 1 336.399 0.832 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)Cc3nnn(C(C)(C)C)n3)CCC[C@H]12 ZINC000990869054 756433373 /nfs/dbraw/zinc/43/33/73/756433373.db2.gz GRYCSCYTYAFCJE-GUYCJALGSA-N 1 1 330.436 0.717 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)[C@@H](C)C#N)C2 ZINC001010724163 756445359 /nfs/dbraw/zinc/44/53/59/756445359.db2.gz VMHHQJZWNAGUNY-HOTGVXAUSA-N 1 1 342.443 0.695 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)[C@@H](C)C#N)C2 ZINC001010724163 756445361 /nfs/dbraw/zinc/44/53/61/756445361.db2.gz VMHHQJZWNAGUNY-HOTGVXAUSA-N 1 1 342.443 0.695 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001010741339 756468774 /nfs/dbraw/zinc/46/87/74/756468774.db2.gz UIDMDXDJJODYOG-CABCVRRESA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)CCCC[NH+]1CCOCC1 ZINC001076423482 756494559 /nfs/dbraw/zinc/49/45/59/756494559.db2.gz LPZFDUNKBIMKGO-INIZCTEOSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 ZINC001076441271 756519445 /nfs/dbraw/zinc/51/94/45/756519445.db2.gz SSDDWWVUXWWIFP-SQWLQELKSA-N 1 1 329.404 0.409 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccccc3C(N)=O)[C@@H]2C1 ZINC001076461098 756548353 /nfs/dbraw/zinc/54/83/53/756548353.db2.gz QEVNMVUIABBCNB-DOTOQJQBSA-N 1 1 325.412 0.884 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001010831697 756579314 /nfs/dbraw/zinc/57/93/14/756579314.db2.gz VVXQPAMAPDMBCY-OAHLLOKOSA-N 1 1 348.447 0.319 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001010836248 756583583 /nfs/dbraw/zinc/58/35/83/756583583.db2.gz MDRNHLQIHJLUOB-CYBMUJFWSA-N 1 1 329.404 0.802 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076503825 756587499 /nfs/dbraw/zinc/58/74/99/756587499.db2.gz YEQVBCOMTKPGGU-SQWLQELKSA-N 1 1 341.477 0.567 20 30 ECEDMO C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001076510260 756603457 /nfs/dbraw/zinc/60/34/57/756603457.db2.gz HUDQCSUOJCGGOO-KBPBESRZSA-N 1 1 325.453 0.766 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ocnc2C)CC1 ZINC001010909477 756661525 /nfs/dbraw/zinc/66/15/25/756661525.db2.gz NOTLILGCBTYUCU-AWEZNQCLSA-N 1 1 330.388 0.365 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ocnc2C)CC1 ZINC001010909477 756661529 /nfs/dbraw/zinc/66/15/29/756661529.db2.gz NOTLILGCBTYUCU-AWEZNQCLSA-N 1 1 330.388 0.365 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001051618568 762487516 /nfs/dbraw/zinc/48/75/16/762487516.db2.gz DWEDZBFZYZRVQN-ZNMIVQPWSA-N 1 1 349.435 0.113 20 30 ECEDMO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)[nH]1 ZINC000990892739 756712886 /nfs/dbraw/zinc/71/28/86/756712886.db2.gz MGIDILJUQKCKGF-HOCLYGCPSA-N 1 1 341.415 0.844 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC001010972869 756715988 /nfs/dbraw/zinc/71/59/88/756715988.db2.gz UUFQZRWOTJDTIH-SJORKVTESA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC001010972869 756715991 /nfs/dbraw/zinc/71/59/91/756715991.db2.gz UUFQZRWOTJDTIH-SJORKVTESA-N 1 1 347.459 0.714 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC001011020105 756774247 /nfs/dbraw/zinc/77/42/47/756774247.db2.gz RUDUHDXUULORJC-CYBMUJFWSA-N 1 1 329.404 0.513 20 30 ECEDMO CCn1cc(C[N@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)nn1 ZINC001048771404 756944203 /nfs/dbraw/zinc/94/42/03/756944203.db2.gz KJZGQOGUSDWKJX-BETUJISGSA-N 1 1 339.403 0.702 20 30 ECEDMO CCn1cc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)nn1 ZINC001048771404 756944210 /nfs/dbraw/zinc/94/42/10/756944210.db2.gz KJZGQOGUSDWKJX-BETUJISGSA-N 1 1 339.403 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ccc[nH]1 ZINC001076771556 757044026 /nfs/dbraw/zinc/04/40/26/757044026.db2.gz OQBYKAANQDEFPZ-HOCLYGCPSA-N 1 1 330.432 0.666 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1ccc[nH]1 ZINC001076771556 757044030 /nfs/dbraw/zinc/04/40/30/757044030.db2.gz OQBYKAANQDEFPZ-HOCLYGCPSA-N 1 1 330.432 0.666 20 30 ECEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011160885 757073073 /nfs/dbraw/zinc/07/30/73/757073073.db2.gz WQJSNPLZEXAFMV-IKGGRYGDSA-N 1 1 349.475 0.980 20 30 ECEDMO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1O ZINC001048814020 757079885 /nfs/dbraw/zinc/07/98/85/757079885.db2.gz RQIRGUCGVCETDJ-PMPSAXMXSA-N 1 1 335.448 0.018 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@@H]2C1 ZINC001048833679 757138086 /nfs/dbraw/zinc/13/80/86/757138086.db2.gz RRQTZZHAGOAPNQ-XUWVNRHRSA-N 1 1 339.867 0.992 20 30 ECEDMO C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@@H]2C1 ZINC001048833679 757138095 /nfs/dbraw/zinc/13/80/95/757138095.db2.gz RRQTZZHAGOAPNQ-XUWVNRHRSA-N 1 1 339.867 0.992 20 30 ECEDMO C#CCCCCC(=O)NCc1cn(C2C[NH+]([C@H](C)COC)C2)nn1 ZINC001107162135 757189317 /nfs/dbraw/zinc/18/93/17/757189317.db2.gz GZIGPDPFJBMGJT-CQSZACIVSA-N 1 1 333.436 0.980 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001011217271 757207623 /nfs/dbraw/zinc/20/76/23/757207623.db2.gz PIAKQOSFSBIISL-QAPCUYQASA-N 1 1 337.464 0.980 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001011217271 757207627 /nfs/dbraw/zinc/20/76/27/757207627.db2.gz PIAKQOSFSBIISL-QAPCUYQASA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001048863548 757218896 /nfs/dbraw/zinc/21/88/96/757218896.db2.gz GMENEGOEHBKBGP-HLLBOEOZSA-N 1 1 342.443 0.909 20 30 ECEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048866213 757227113 /nfs/dbraw/zinc/22/71/13/757227113.db2.gz LTMMPACPPLSHDU-KKUMJFAQSA-N 1 1 337.464 0.571 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2C1 ZINC001048869771 757237593 /nfs/dbraw/zinc/23/75/93/757237593.db2.gz DLQGAWQRTSBQHC-OTWHNJEPSA-N 1 1 345.487 0.901 20 30 ECEDMO CC#CC[N@H+]1C[C@H]2CN(C(=O)c3cn4c(n3)C[C@@H](OC)CC4)C[C@H]2C1 ZINC001048889232 757306714 /nfs/dbraw/zinc/30/67/14/757306714.db2.gz SHNIZDCPMJTHNC-XHSDSOJGSA-N 1 1 342.443 0.871 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2c2cncc(C#N)n2)C1 ZINC001060144235 757324945 /nfs/dbraw/zinc/32/49/45/757324945.db2.gz BXDMDZTVPFYYSQ-UKRRQHHQSA-N 1 1 328.420 0.775 20 30 ECEDMO C=C(C)CN1CC(n2cc(CNC(=O)Cn3c[nH+]cc3C)nn2)C1 ZINC001107185294 757360268 /nfs/dbraw/zinc/36/02/68/757360268.db2.gz PEWKEFRQVCTGCA-UHFFFAOYSA-N 1 1 329.408 0.532 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3nnc(C)o3)C2)nn1 ZINC001098667114 757394717 /nfs/dbraw/zinc/39/47/17/757394717.db2.gz QUFJTMUPBXTONU-ZDUSSCGKSA-N 1 1 331.380 0.261 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]cnc2C)CC1 ZINC001011315042 757491440 /nfs/dbraw/zinc/49/14/40/757491440.db2.gz VCIBJKPVZQWQAB-AWEZNQCLSA-N 1 1 329.404 0.100 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]cnc2C)CC1 ZINC001011315042 757491448 /nfs/dbraw/zinc/49/14/48/757491448.db2.gz VCIBJKPVZQWQAB-AWEZNQCLSA-N 1 1 329.404 0.100 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3CC3CCC3)C[C@H]2C1 ZINC001048961000 757524438 /nfs/dbraw/zinc/52/44/38/757524438.db2.gz SMDXHMFWVVRYDH-FGTMMUONSA-N 1 1 331.460 0.511 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001048966517 757541152 /nfs/dbraw/zinc/54/11/52/757541152.db2.gz RECGQOGHFKJEGE-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O)n1cncn1 ZINC001076904668 757552566 /nfs/dbraw/zinc/55/25/66/757552566.db2.gz NZMUASIAYALNOF-APHBMKBZSA-N 1 1 340.387 0.072 20 30 ECEDMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O)n1cncn1 ZINC001076904668 757552574 /nfs/dbraw/zinc/55/25/74/757552574.db2.gz NZMUASIAYALNOF-APHBMKBZSA-N 1 1 340.387 0.072 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)C3CCN(C(=O)C(C)C)CC3)C[C@H]2C1 ZINC001048971939 757556125 /nfs/dbraw/zinc/55/61/25/757556125.db2.gz MKKVVRNRUHRRRR-CALCHBBNSA-N 1 1 331.460 0.904 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC000996405800 757563504 /nfs/dbraw/zinc/56/35/04/757563504.db2.gz IJOGQJACNOKZNE-YDHLFZDLSA-N 1 1 348.451 0.518 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048977473 757581368 /nfs/dbraw/zinc/58/13/68/757581368.db2.gz VYCASIBEOPUOSN-GJZGRUSLSA-N 1 1 339.480 0.959 20 30 ECEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001048980203 757594465 /nfs/dbraw/zinc/59/44/65/757594465.db2.gz LJSSYYGMRQPZPC-GASCZTMLSA-N 1 1 335.448 0.448 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC001021564848 757605088 /nfs/dbraw/zinc/60/50/88/757605088.db2.gz BLSQPOPZYIRAKT-BBRMVZONSA-N 1 1 343.431 0.901 20 30 ECEDMO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001048984424 757610307 /nfs/dbraw/zinc/61/03/07/757610307.db2.gz JQKSJKFXZYRFTM-KKUMJFAQSA-N 1 1 346.431 0.757 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001076925690 757641483 /nfs/dbraw/zinc/64/14/83/757641483.db2.gz UYZNWKNUXHVPCM-ZNMIVQPWSA-N 1 1 325.453 0.929 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001021586897 757646774 /nfs/dbraw/zinc/64/67/74/757646774.db2.gz FYLXCVZPLQVBED-CABCVRRESA-N 1 1 345.443 0.718 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1 ZINC000996433524 757665154 /nfs/dbraw/zinc/66/51/54/757665154.db2.gz AGJKMQPCHYEITB-CQSZACIVSA-N 1 1 326.400 0.345 20 30 ECEDMO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076935776 757666501 /nfs/dbraw/zinc/66/65/01/757666501.db2.gz NQRPLBLMRHRRKT-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076935776 757666506 /nfs/dbraw/zinc/66/65/06/757666506.db2.gz NQRPLBLMRHRRKT-IAGOWNOFSA-N 1 1 339.399 0.196 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@H]2C1 ZINC001049007074 757674053 /nfs/dbraw/zinc/67/40/53/757674053.db2.gz RAJONSXJGVQWBK-KFWWJZLASA-N 1 1 327.432 0.334 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 ZINC001021620086 757693414 /nfs/dbraw/zinc/69/34/14/757693414.db2.gz PFFSCMMVPQSPPL-CABCVRRESA-N 1 1 333.436 0.471 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C)c(=O)cn2)C1 ZINC001021636523 757719846 /nfs/dbraw/zinc/71/98/46/757719846.db2.gz QNHWYOIYFIKBNM-GDBMZVCRSA-N 1 1 328.416 0.730 20 30 ECEDMO NC(=O)C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@@H]2C1 ZINC001049022573 757721231 /nfs/dbraw/zinc/72/12/31/757721231.db2.gz NPGLQHOMMNPNKO-OKILXGFUSA-N 1 1 331.803 0.567 20 30 ECEDMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@@H]2C1 ZINC001049022573 757721239 /nfs/dbraw/zinc/72/12/39/757721239.db2.gz NPGLQHOMMNPNKO-OKILXGFUSA-N 1 1 331.803 0.567 20 30 ECEDMO NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]21 ZINC001021661573 757753543 /nfs/dbraw/zinc/75/35/43/757753543.db2.gz PKEDFEJXJZQFDZ-IRXDYDNUSA-N 1 1 325.412 0.836 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(CCC(N)=O)cc3)C[C@H]2C1 ZINC001049047709 757774835 /nfs/dbraw/zinc/77/48/35/757774835.db2.gz RJFHAQBIYYTHQR-CALCHBBNSA-N 1 1 325.412 0.742 20 30 ECEDMO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001049048489 757778222 /nfs/dbraw/zinc/77/82/22/757778222.db2.gz NZUGXLXGIFRQID-JYJNAYRXSA-N 1 1 335.448 0.160 20 30 ECEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001021690962 757789423 /nfs/dbraw/zinc/78/94/23/757789423.db2.gz MCLREPWEJQPURI-ZFWWWQNUSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)Cn3cc(Cl)cn3)nn2)C1 ZINC001107215599 757791972 /nfs/dbraw/zinc/79/19/72/757791972.db2.gz ISDDPOLPEKFAOD-UHFFFAOYSA-N 1 1 349.826 0.877 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cnccc2=O)C1 ZINC001021702833 757824685 /nfs/dbraw/zinc/82/46/85/757824685.db2.gz JRMDYMRNFSHRBE-HOTGVXAUSA-N 1 1 328.416 0.580 20 30 ECEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001021709653 757839201 /nfs/dbraw/zinc/83/92/01/757839201.db2.gz CXPJRUXFUJGDFO-ZIAGYGMSSA-N 1 1 334.420 0.379 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C)c2cccnc2)C1 ZINC000996512610 757842286 /nfs/dbraw/zinc/84/22/86/757842286.db2.gz QEFINXMLVDSLKF-YOEHRIQHSA-N 1 1 340.427 0.610 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C)c2cccnc2)C1 ZINC000996512610 757842301 /nfs/dbraw/zinc/84/23/01/757842301.db2.gz QEFINXMLVDSLKF-YOEHRIQHSA-N 1 1 340.427 0.610 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001021711186 757844871 /nfs/dbraw/zinc/84/48/71/757844871.db2.gz TWLBAYJRXAXUDJ-KGLIPLIRSA-N 1 1 346.431 0.263 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001076988332 757857948 /nfs/dbraw/zinc/85/79/48/757857948.db2.gz DZTYCWKGSREQLB-HZPDHXFCSA-N 1 1 327.388 0.213 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001076988332 757857960 /nfs/dbraw/zinc/85/79/60/757857960.db2.gz DZTYCWKGSREQLB-HZPDHXFCSA-N 1 1 327.388 0.213 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2nc(C)ccc2=O)C1 ZINC001021719735 757860752 /nfs/dbraw/zinc/86/07/52/757860752.db2.gz RKUZYFCWPWHUNJ-JKSUJKDBSA-N 1 1 328.416 0.498 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001021728760 757870533 /nfs/dbraw/zinc/87/05/33/757870533.db2.gz VRVMJQBAXQAJCN-ZIAGYGMSSA-N 1 1 346.431 0.263 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cc(C)on2)C1 ZINC001021729175 757872557 /nfs/dbraw/zinc/87/25/57/757872557.db2.gz DDJIMKHOGALOEM-KGLIPLIRSA-N 1 1 330.388 0.868 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@@H]2C1 ZINC001049069735 757875609 /nfs/dbraw/zinc/87/56/09/757875609.db2.gz ODEQJLDARUWWHE-WTTBNOFXSA-N 1 1 330.432 0.901 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@@H]2C1 ZINC001049069735 757875615 /nfs/dbraw/zinc/87/56/15/757875615.db2.gz ODEQJLDARUWWHE-WTTBNOFXSA-N 1 1 330.432 0.901 20 30 ECEDMO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cncc(C(N)=O)c2)C1 ZINC001021738879 757887792 /nfs/dbraw/zinc/88/77/92/757887792.db2.gz CQICUCANNGNALP-XJKSGUPXSA-N 1 1 326.400 0.740 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3ncnn3C)C(C)(C)C2)nc1 ZINC000996528948 757897644 /nfs/dbraw/zinc/89/76/44/757897644.db2.gz PZADVJSJLRFQMM-OAHLLOKOSA-N 1 1 338.415 0.832 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@@H]3C2)nn1 ZINC001049103126 757964563 /nfs/dbraw/zinc/96/45/63/757964563.db2.gz GIXIJTAJCZILBV-HRCADAONSA-N 1 1 345.447 0.895 20 30 ECEDMO C#CC[N@H+]1C[C@H]2CN(C(=O)c3nnn(C)c3C(F)(F)F)C[C@H]2C1 ZINC001049103449 757965909 /nfs/dbraw/zinc/96/59/09/757965909.db2.gz LSJAKUGCBYZFOL-AOOOYVTPSA-N 1 1 327.310 0.471 20 30 ECEDMO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnoc4C)C[C@@H]3C2)nn1 ZINC001049103883 757966172 /nfs/dbraw/zinc/96/61/72/757966172.db2.gz ZQMQAYBEQRWJCK-GASCZTMLSA-N 1 1 342.403 0.965 20 30 ECEDMO C=C(C)CN1CC(n2cc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107229097 757990330 /nfs/dbraw/zinc/99/03/30/757990330.db2.gz CCHWRIIYAKKIAM-AWEZNQCLSA-N 1 1 332.452 0.669 20 30 ECEDMO C=CCC[NH+]1CC(n2cc(CNC(=O)CNC(=O)[C@H](C)CC)nn2)C1 ZINC001107236303 758026994 /nfs/dbraw/zinc/02/69/94/758026994.db2.gz UKCXOAXDTMSTTC-CYBMUJFWSA-N 1 1 348.451 0.489 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)cn1 ZINC001011575486 758039923 /nfs/dbraw/zinc/03/99/23/758039923.db2.gz SUDLPUCAFWAHCP-UHFFFAOYSA-N 1 1 337.383 0.552 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001077067111 758081151 /nfs/dbraw/zinc/08/11/51/758081151.db2.gz MHMLARDQARPMAP-RRFJBIMHSA-N 1 1 330.384 0.401 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001077067111 758081159 /nfs/dbraw/zinc/08/11/59/758081159.db2.gz MHMLARDQARPMAP-RRFJBIMHSA-N 1 1 330.384 0.401 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(C)on3)CCC[C@@H]12 ZINC001107269925 758119723 /nfs/dbraw/zinc/11/97/23/758119723.db2.gz CSBJKPZVTYYKFE-CRAIPNDOSA-N 1 1 344.415 0.707 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001060159116 758173214 /nfs/dbraw/zinc/17/32/14/758173214.db2.gz XXSNLKHVUNMHCO-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO CC#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001060159116 758173221 /nfs/dbraw/zinc/17/32/21/758173221.db2.gz XXSNLKHVUNMHCO-IAGOWNOFSA-N 1 1 349.475 0.865 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C(C)C)on2)C1 ZINC000996598110 758174020 /nfs/dbraw/zinc/17/40/20/758174020.db2.gz JKNPSDPYACWABI-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C(C)C)on2)C1 ZINC000996598110 758174027 /nfs/dbraw/zinc/17/40/27/758174027.db2.gz JKNPSDPYACWABI-HNNXBMFYSA-N 1 1 344.415 0.836 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cc(Cn4cccn4)on3)C[C@H]2C1 ZINC001049162211 758181617 /nfs/dbraw/zinc/18/16/17/758181617.db2.gz ONUNSRGXDJKXNY-GASCZTMLSA-N 1 1 339.399 0.947 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)C[C@H]2C1 ZINC001049168131 758199015 /nfs/dbraw/zinc/19/90/15/758199015.db2.gz FUYZIRFAYRRACU-PHIMTYICSA-N 1 1 334.376 0.476 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001011645794 758200618 /nfs/dbraw/zinc/20/06/18/758200618.db2.gz IMUHJPDUIINTNJ-OAHLLOKOSA-N 1 1 340.427 0.689 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049171274 758211392 /nfs/dbraw/zinc/21/13/92/758211392.db2.gz BGSVGRJALGWDBC-ILXRZTDVSA-N 1 1 337.464 0.571 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cnns3)CCC[C@@H]12 ZINC001107293858 758212200 /nfs/dbraw/zinc/21/22/00/758212200.db2.gz MPCSYFCNSPFHRG-CZUORRHYSA-N 1 1 349.460 0.815 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]3C2)nc1 ZINC001049177379 758231876 /nfs/dbraw/zinc/23/18/76/758231876.db2.gz AEDSBSDNCSYLOO-YUELXQCFSA-N 1 1 326.400 0.201 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)C[C@@H]3C2)cn1 ZINC001049178724 758235147 /nfs/dbraw/zinc/23/51/47/758235147.db2.gz KPLDHQHXACAENC-IYBDPMFKSA-N 1 1 336.399 0.358 20 30 ECEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1O ZINC001049180414 758240284 /nfs/dbraw/zinc/24/02/84/758240284.db2.gz GBIVZYRMMMIQDX-ILXRZTDVSA-N 1 1 337.464 0.571 20 30 ECEDMO Cc1ocnc1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107311997 758240789 /nfs/dbraw/zinc/24/07/89/758240789.db2.gz PCWZPEKMDXNXIW-CXAGYDPISA-N 1 1 345.403 0.597 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)COC)CCC[C@@H]12 ZINC001107323137 758243506 /nfs/dbraw/zinc/24/35/06/758243506.db2.gz QMUPPARDOAJVJV-HDMKZQKVSA-N 1 1 335.448 0.379 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)COC(C)C)CCC[C@@H]12 ZINC001107314883 758249504 /nfs/dbraw/zinc/24/95/04/758249504.db2.gz BHEMJLWHIOGMFX-CRAIPNDOSA-N 1 1 335.448 0.522 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049190434 758256440 /nfs/dbraw/zinc/25/64/40/758256440.db2.gz QWIOOZFAAVIHCK-FGTMMUONSA-N 1 1 337.423 0.489 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 ZINC001049197648 758280296 /nfs/dbraw/zinc/28/02/96/758280296.db2.gz MGFKFKSURBDMOT-GASCZTMLSA-N 1 1 333.436 0.247 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](CC)OCC ZINC001077124418 758284562 /nfs/dbraw/zinc/28/45/62/758284562.db2.gz VJDCJPHYHYHHFJ-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](CC)OCC ZINC001077124418 758284568 /nfs/dbraw/zinc/28/45/68/758284568.db2.gz VJDCJPHYHYHHFJ-JYJNAYRXSA-N 1 1 337.464 0.910 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001077125045 758288863 /nfs/dbraw/zinc/28/88/63/758288863.db2.gz KTQDEERPYDNZIZ-ULQDDVLXSA-N 1 1 348.491 0.437 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001077147444 758342578 /nfs/dbraw/zinc/34/25/78/758342578.db2.gz PJQMQYHCEREVIQ-CGTJXYLNSA-N 1 1 328.412 0.910 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001077147444 758342591 /nfs/dbraw/zinc/34/25/91/758342591.db2.gz PJQMQYHCEREVIQ-CGTJXYLNSA-N 1 1 328.412 0.910 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@H]2C1 ZINC001049223103 758372738 /nfs/dbraw/zinc/37/27/38/758372738.db2.gz HAUQFYGIYIVHCP-BBWFWOEESA-N 1 1 335.448 0.590 20 30 ECEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001077161334 758383432 /nfs/dbraw/zinc/38/34/32/758383432.db2.gz UPFTYXAFMGBHPN-KLHDSHLOSA-N 1 1 346.431 0.072 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001077161334 758383443 /nfs/dbraw/zinc/38/34/43/758383443.db2.gz UPFTYXAFMGBHPN-KLHDSHLOSA-N 1 1 346.431 0.072 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)(F)F)C1 ZINC001077178273 758415236 /nfs/dbraw/zinc/41/52/36/758415236.db2.gz AKOOACDRXQMAQZ-ZYHUDNBSSA-N 1 1 332.326 0.796 20 30 ECEDMO C=CCn1cccc1C(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC000996673705 758419214 /nfs/dbraw/zinc/41/92/14/758419214.db2.gz WQNUTZHBFMLJPM-UHFFFAOYSA-N 1 1 329.408 0.592 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001077171440 758423545 /nfs/dbraw/zinc/42/35/45/758423545.db2.gz BESHFWVEXOXMRA-ZIAGYGMSSA-N 1 1 331.372 0.369 20 30 ECEDMO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049245984 758424045 /nfs/dbraw/zinc/42/40/45/758424045.db2.gz ICUWBKCDRKHAHR-IKGGRYGDSA-N 1 1 349.475 0.552 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 ZINC001077171551 758424640 /nfs/dbraw/zinc/42/46/40/758424640.db2.gz IECDBPNWJRIXQU-NVXWUHKLSA-N 1 1 332.448 0.889 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001014410729 762628241 /nfs/dbraw/zinc/62/82/41/762628241.db2.gz VZOLJFCDNAQUKR-UKRRQHHQSA-N 1 1 329.404 0.376 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001014410729 762628247 /nfs/dbraw/zinc/62/82/47/762628247.db2.gz VZOLJFCDNAQUKR-UKRRQHHQSA-N 1 1 329.404 0.376 20 30 ECEDMO CNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C#CC(C)C)CCC[C@@H]12 ZINC001107394460 758451821 /nfs/dbraw/zinc/45/18/21/758451821.db2.gz YOBJRJVFJRKSHK-RDTXWAMCSA-N 1 1 348.447 0.462 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC)CC2 ZINC001107404683 758482099 /nfs/dbraw/zinc/48/20/99/758482099.db2.gz IYQVILKKNNCSCU-CRAIPNDOSA-N 1 1 335.448 0.523 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCS(=O)(=O)NC)CCC[C@@H]12 ZINC001107405357 758482476 /nfs/dbraw/zinc/48/24/76/758482476.db2.gz NHJBDSIUOWECDQ-GDBMZVCRSA-N 1 1 341.477 0.310 20 30 ECEDMO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnnn1C)CC2 ZINC001107404612 758482758 /nfs/dbraw/zinc/48/27/58/758482758.db2.gz FCFRJSMQEHRJHI-SJLPKXTDSA-N 1 1 345.447 0.716 20 30 ECEDMO C#CCC[NH+]1CC(OC2CCN(C(=O)CNC(=O)C3CC3)CC2)C1 ZINC001105691276 758501394 /nfs/dbraw/zinc/50/13/94/758501394.db2.gz LUFWQDJSVFTMKA-UHFFFAOYSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC001107411700 758518352 /nfs/dbraw/zinc/51/83/52/758518352.db2.gz AIXOAFHGZDZUAZ-GDBMZVCRSA-N 1 1 334.424 0.237 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)CCCN3C(=O)CCC3=O)CCC[C@@H]12 ZINC001107425978 758535275 /nfs/dbraw/zinc/53/52/75/758535275.db2.gz BEEXMQXPPDDFFU-DNVCBOLYSA-N 1 1 345.443 0.910 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001077218293 758542157 /nfs/dbraw/zinc/54/21/57/758542157.db2.gz VAWIMYYUPBEGPZ-GZBFAFLISA-N 1 1 334.420 0.195 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001077218293 758542163 /nfs/dbraw/zinc/54/21/63/758542163.db2.gz VAWIMYYUPBEGPZ-GZBFAFLISA-N 1 1 334.420 0.195 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)CN3CCCS3(=O)=O)CCC[C@@H]12 ZINC001107428743 758546668 /nfs/dbraw/zinc/54/66/68/758546668.db2.gz ANASWKUIEKNGDO-GDBMZVCRSA-N 1 1 339.461 0.016 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC001107438898 758567705 /nfs/dbraw/zinc/56/77/05/758567705.db2.gz MPEVGHLCXSOITP-CRAIPNDOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001077229378 758569328 /nfs/dbraw/zinc/56/93/28/758569328.db2.gz ZUBVHDMPAOJHIE-BZUAXINKSA-N 1 1 332.448 0.881 20 30 ECEDMO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC001049366250 758574344 /nfs/dbraw/zinc/57/43/44/758574344.db2.gz SLJKBWAXRSWGCO-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC(=O)N3)CCC[C@@H]12 ZINC001107444772 758582194 /nfs/dbraw/zinc/58/21/94/758582194.db2.gz BKSLXNQOZNRJKZ-GPMSIDNRSA-N 1 1 347.459 0.666 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)NC1CCOCC1 ZINC001049383712 758605142 /nfs/dbraw/zinc/60/51/42/758605142.db2.gz SWJTUAQSJQEPEL-FVQBIDKESA-N 1 1 348.447 0.507 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)NC1CCOCC1 ZINC001049383712 758605146 /nfs/dbraw/zinc/60/51/46/758605146.db2.gz SWJTUAQSJQEPEL-FVQBIDKESA-N 1 1 348.447 0.507 20 30 ECEDMO C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)c1cc(C#N)c[nH]1 ZINC001077254702 758607582 /nfs/dbraw/zinc/60/75/82/758607582.db2.gz HWQIVAUKFAMVHB-WFASDCNBSA-N 1 1 331.420 0.995 20 30 ECEDMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cnn(C)c2OC)C1 ZINC001089896013 758615475 /nfs/dbraw/zinc/61/54/75/758615475.db2.gz JDPCDUZJVSHSRX-TUUVXOQKSA-N 1 1 328.416 0.844 20 30 ECEDMO O=C(NCCNCC#Cc1ccccc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779485 758622877 /nfs/dbraw/zinc/62/28/77/758622877.db2.gz MIKUMMGQBPHGPL-MSOLQXFVSA-N 1 1 327.428 0.607 20 30 ECEDMO O=C(NCCNCC#Cc1ccccc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779485 758622884 /nfs/dbraw/zinc/62/28/84/758622884.db2.gz MIKUMMGQBPHGPL-MSOLQXFVSA-N 1 1 327.428 0.607 20 30 ECEDMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C#N)c[nH]1 ZINC001049400580 758632819 /nfs/dbraw/zinc/63/28/19/758632819.db2.gz HTAVADDDKHRFBO-GJZGRUSLSA-N 1 1 329.404 0.653 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cncn3C)CCC[C@@H]12 ZINC001107463759 758644422 /nfs/dbraw/zinc/64/44/22/758644422.db2.gz BTNSLEPHBMHRDZ-CRAIPNDOSA-N 1 1 343.431 0.144 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)C1 ZINC001077275031 758665190 /nfs/dbraw/zinc/66/51/90/758665190.db2.gz OEMBXYKZPPSGPH-IAOVAPTHSA-N 1 1 330.432 0.961 20 30 ECEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001049450519 758725509 /nfs/dbraw/zinc/72/55/09/758725509.db2.gz ZTALSAZECMBBOM-RLFYNMQTSA-N 1 1 339.480 0.959 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC001049458577 758744577 /nfs/dbraw/zinc/74/45/77/758744577.db2.gz YBZPPKAZGGQSSM-HZPDHXFCSA-N 1 1 343.427 0.614 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCCS3(=O)=O)CCC[C@@H]12 ZINC001107488630 758754529 /nfs/dbraw/zinc/75/45/29/758754529.db2.gz QCXZUDWOXWNLOE-ZMSDIMECSA-N 1 1 338.473 0.948 20 30 ECEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCCS3(=O)=O)CCC[C@@H]12 ZINC001107488630 758754535 /nfs/dbraw/zinc/75/45/35/758754535.db2.gz QCXZUDWOXWNLOE-ZMSDIMECSA-N 1 1 338.473 0.948 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(-c3cccnc3)n2)C1 ZINC001077308723 758767891 /nfs/dbraw/zinc/76/78/91/758767891.db2.gz IYAQXZHVJGLQON-UKRRQHHQSA-N 1 1 326.356 0.535 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(-c3cccnc3)n2)C1 ZINC001077308723 758767898 /nfs/dbraw/zinc/76/78/98/758767898.db2.gz IYAQXZHVJGLQON-UKRRQHHQSA-N 1 1 326.356 0.535 20 30 ECEDMO C[N@@H+](CC(=O)NC/C=C/CNc1ccnc(C#N)n1)CC(C)(C)C ZINC001107513997 758791581 /nfs/dbraw/zinc/79/15/81/758791581.db2.gz RXIWXJUOAMEOCT-AATRIKPKSA-N 1 1 330.436 0.832 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001077332420 758830676 /nfs/dbraw/zinc/83/06/76/758830676.db2.gz WGODSFSXULEUKZ-NVXWUHKLSA-N 1 1 327.384 0.879 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](Cn1cccn1)N(C)C ZINC001049517308 758842771 /nfs/dbraw/zinc/84/27/71/758842771.db2.gz IKLIRQQRSIKXNL-KZNAEPCWSA-N 1 1 343.475 0.902 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521208 758852411 /nfs/dbraw/zinc/85/24/11/758852411.db2.gz GYUVDTIUTPGYEN-KGLIPLIRSA-N 1 1 341.839 0.663 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521208 758852416 /nfs/dbraw/zinc/85/24/16/758852416.db2.gz GYUVDTIUTPGYEN-KGLIPLIRSA-N 1 1 341.839 0.663 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001077347953 758876386 /nfs/dbraw/zinc/87/63/86/758876386.db2.gz RJJJFQUOXXZGJL-HZPDHXFCSA-N 1 1 329.400 0.922 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001077359120 758903968 /nfs/dbraw/zinc/90/39/68/758903968.db2.gz WDHPNBMZHFADQU-NUEKZKHPSA-N 1 1 332.375 0.876 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001049552816 758914668 /nfs/dbraw/zinc/91/46/68/758914668.db2.gz QCCMYBVRPHKZSR-IRXDYDNUSA-N 1 1 340.427 0.812 20 30 ECEDMO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001049560050 758922779 /nfs/dbraw/zinc/92/27/79/758922779.db2.gz NKHOEKZBTBTBKZ-PMPSAXMXSA-N 1 1 337.464 0.715 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1OCC(N)=O ZINC001049582238 758959656 /nfs/dbraw/zinc/95/96/56/758959656.db2.gz KQKFBHYWVPXLIT-JKSUJKDBSA-N 1 1 341.411 0.863 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049594204 758973066 /nfs/dbraw/zinc/97/30/66/758973066.db2.gz JTOFPPSFGARGNK-FPCVCCKLSA-N 1 1 333.432 0.498 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C(C)C)C1 ZINC001049599642 758980584 /nfs/dbraw/zinc/98/05/84/758980584.db2.gz RRPYECHJZQUFFB-QZWWFDLISA-N 1 1 349.475 0.406 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C(C)C)C1 ZINC001049599642 758980590 /nfs/dbraw/zinc/98/05/90/758980590.db2.gz RRPYECHJZQUFFB-QZWWFDLISA-N 1 1 349.475 0.406 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nncn2CC1 ZINC001049605583 758982714 /nfs/dbraw/zinc/98/27/14/758982714.db2.gz PMFBLOFEGGOUPS-ARFHVFGLSA-N 1 1 327.432 0.929 20 30 ECEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001049628994 759013645 /nfs/dbraw/zinc/01/36/45/759013645.db2.gz IQEIAJJMENYYNF-OLZOCXBDSA-N 1 1 342.407 0.559 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001049738073 759152454 /nfs/dbraw/zinc/15/24/54/759152454.db2.gz HPWZKCNYKTZCTG-HRCADAONSA-N 1 1 342.447 0.714 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001049780520 759197858 /nfs/dbraw/zinc/19/78/58/759197858.db2.gz ICIBHRKATDWJQP-RRFJBIMHSA-N 1 1 341.477 0.662 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001049782028 759199282 /nfs/dbraw/zinc/19/92/82/759199282.db2.gz NOMLLVPCLUTPRX-KFWWJZLASA-N 1 1 339.461 0.109 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc3ccccc3c2O)[C@@H](O)C1 ZINC001083597157 759219130 /nfs/dbraw/zinc/21/91/30/759219130.db2.gz GFUIZQKZILXVJM-CVEARBPZSA-N 1 1 327.384 0.879 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccc3c2O)[C@@H](O)C1 ZINC001083597157 759219138 /nfs/dbraw/zinc/21/91/38/759219138.db2.gz GFUIZQKZILXVJM-CVEARBPZSA-N 1 1 327.384 0.879 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cc3ccncc3C)C2)C1=O ZINC001014443357 762697621 /nfs/dbraw/zinc/69/76/21/762697621.db2.gz MRHWOTLJYFCOGN-IAGOWNOFSA-N 1 1 342.443 0.910 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cc3ccncc3C)C2)C1=O ZINC001014443357 762697626 /nfs/dbraw/zinc/69/76/26/762697626.db2.gz MRHWOTLJYFCOGN-IAGOWNOFSA-N 1 1 342.443 0.910 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001049840023 759280306 /nfs/dbraw/zinc/28/03/06/759280306.db2.gz LSLUOIWUIUEOHP-KBRIMQKVSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001049840023 759280313 /nfs/dbraw/zinc/28/03/13/759280313.db2.gz LSLUOIWUIUEOHP-KBRIMQKVSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001049840023 759280317 /nfs/dbraw/zinc/28/03/17/759280317.db2.gz LSLUOIWUIUEOHP-KBRIMQKVSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001049840023 759280323 /nfs/dbraw/zinc/28/03/23/759280323.db2.gz LSLUOIWUIUEOHP-KBRIMQKVSA-N 1 1 327.432 0.998 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001049840023 759280330 /nfs/dbraw/zinc/28/03/30/759280330.db2.gz LSLUOIWUIUEOHP-KBRIMQKVSA-N 1 1 327.432 0.998 20 30 ECEDMO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H](C)NC(N)=O)C2)nn1 ZINC001098676761 762699562 /nfs/dbraw/zinc/69/95/62/762699562.db2.gz VJVXSXLCMRYDIV-GXTWGEPZSA-N 1 1 349.439 0.164 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](O)C1 ZINC001083612318 759296393 /nfs/dbraw/zinc/29/63/93/759296393.db2.gz MVENEMPNCAHOQL-CABCVRRESA-N 1 1 336.436 0.112 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](O)C1 ZINC001083612318 759296398 /nfs/dbraw/zinc/29/63/98/759296398.db2.gz MVENEMPNCAHOQL-CABCVRRESA-N 1 1 336.436 0.112 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nc(C)ccc1=O ZINC001049853615 759304242 /nfs/dbraw/zinc/30/42/42/759304242.db2.gz GZKYAMXDBBGSRQ-CVEARBPZSA-N 1 1 328.416 0.640 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)CN1CCOCC1)C2 ZINC001054240901 767853068 /nfs/dbraw/zinc/85/30/68/767853068.db2.gz FYBHHYBHLWASRG-HKUYNNGSSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)CN1CCOCC1)C2 ZINC001054240901 767853076 /nfs/dbraw/zinc/85/30/76/767853076.db2.gz FYBHHYBHLWASRG-HKUYNNGSSA-N 1 1 333.476 0.902 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001047636907 759368609 /nfs/dbraw/zinc/36/86/09/759368609.db2.gz QTRONPIOCMMLAW-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001047636907 759368620 /nfs/dbraw/zinc/36/86/20/759368620.db2.gz QTRONPIOCMMLAW-JYJNAYRXSA-N 1 1 335.448 0.304 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)cs2)C1 ZINC001047638868 759375530 /nfs/dbraw/zinc/37/55/30/759375530.db2.gz BEOFSDKPCKBPKR-STQMWFEESA-N 1 1 337.445 0.930 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH]c3ncccc23)C1 ZINC001047640555 759383401 /nfs/dbraw/zinc/38/34/01/759383401.db2.gz SJBJQESTCJQGHY-HOTGVXAUSA-N 1 1 326.400 0.632 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2C(=O)Nc3ccccc32)C1 ZINC001047645686 759398364 /nfs/dbraw/zinc/39/83/64/759398364.db2.gz FHGBMOKWOFDLTL-PVAVHDDUSA-N 1 1 341.411 0.639 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2C(=O)Nc3ccccc32)C1 ZINC001047645686 759398373 /nfs/dbraw/zinc/39/83/73/759398373.db2.gz FHGBMOKWOFDLTL-PVAVHDDUSA-N 1 1 341.411 0.639 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(C)=O)CC2(CCOCC2)C1 ZINC000991132732 759407954 /nfs/dbraw/zinc/40/79/54/759407954.db2.gz XBCJWRLPKCFCCA-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(C)=O)CC2(CCOCC2)C1 ZINC000991132732 759407960 /nfs/dbraw/zinc/40/79/60/759407960.db2.gz XBCJWRLPKCFCCA-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001047649414 759409663 /nfs/dbraw/zinc/40/96/63/759409663.db2.gz AMNOPZYPLNSGQR-IRXDYDNUSA-N 1 1 347.390 0.925 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001047649414 759409669 /nfs/dbraw/zinc/40/96/69/759409669.db2.gz AMNOPZYPLNSGQR-IRXDYDNUSA-N 1 1 347.390 0.925 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001047662290 759421806 /nfs/dbraw/zinc/42/18/06/759421806.db2.gz NUZSHFCJZWEACZ-GJZGRUSLSA-N 1 1 332.404 0.264 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C(N)=O)ccn1 ZINC001049935282 759427472 /nfs/dbraw/zinc/42/74/72/759427472.db2.gz IGKDECLFOUOVMA-HZPDHXFCSA-N 1 1 326.400 0.883 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001054243998 767859553 /nfs/dbraw/zinc/85/95/53/767859553.db2.gz RZVVGMHXDXSSQW-RDJZCZTQSA-N 1 1 338.473 0.901 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCS1(=O)=O)C2 ZINC001054243998 767859561 /nfs/dbraw/zinc/85/95/61/767859561.db2.gz RZVVGMHXDXSSQW-RDJZCZTQSA-N 1 1 338.473 0.901 20 30 ECEDMO Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)n1 ZINC001049998678 759523819 /nfs/dbraw/zinc/52/38/19/759523819.db2.gz JVQROFZZJSFRES-VBNZEHGJSA-N 1 1 330.436 0.977 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)CC(N)=O)[C@@H]3C2)cc1 ZINC001050003836 759533994 /nfs/dbraw/zinc/53/39/94/759533994.db2.gz VNZIZANONLUMKU-JKSUJKDBSA-N 1 1 326.400 0.856 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C(N)=O)ccn1)C2 ZINC001054250003 767868445 /nfs/dbraw/zinc/86/84/45/767868445.db2.gz IZXCUTLOJNASJS-GOSISDBHSA-N 1 1 326.400 0.742 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N1CCC(OC2C[NH+](C[C@H](C)O)C2)CC1 ZINC001105705699 759549412 /nfs/dbraw/zinc/54/94/12/759549412.db2.gz KEEXVKTUXJXKFE-GUYCJALGSA-N 1 1 326.437 0.386 20 30 ECEDMO COC[C@H](O)C[NH+]1CC(OC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001105705905 759552382 /nfs/dbraw/zinc/55/23/82/759552382.db2.gz NVYOBRRDYAPELO-OAHLLOKOSA-N 1 1 336.432 0.099 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001050026778 759569871 /nfs/dbraw/zinc/56/98/71/759569871.db2.gz QFIKKCQUAHBGSB-RRFJBIMHSA-N 1 1 327.856 0.992 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001050026778 759569876 /nfs/dbraw/zinc/56/98/76/759569876.db2.gz QFIKKCQUAHBGSB-RRFJBIMHSA-N 1 1 327.856 0.992 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)COc3c(C)occc3=O)[C@@H]2C1 ZINC001050094491 759690128 /nfs/dbraw/zinc/69/01/28/759690128.db2.gz ZVWHFBXDDSONHT-LSDHHAIUSA-N 1 1 330.384 0.883 20 30 ECEDMO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)COc3c(C)occc3=O)[C@@H]2C1 ZINC001050094491 759690131 /nfs/dbraw/zinc/69/01/31/759690131.db2.gz ZVWHFBXDDSONHT-LSDHHAIUSA-N 1 1 330.384 0.883 20 30 ECEDMO CN(C[C@H](O)CN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001125111396 759718319 /nfs/dbraw/zinc/71/83/19/759718319.db2.gz WHLPRUYBIHHMPS-HUUCEWRRSA-N 1 1 331.420 0.160 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001050163957 759836534 /nfs/dbraw/zinc/83/65/34/759836534.db2.gz UQRBZZVXKFZISV-ZNMIVQPWSA-N 1 1 341.477 0.519 20 30 ECEDMO C#CCOCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](C)COC)nn2)C1 ZINC001098672436 759837893 /nfs/dbraw/zinc/83/78/93/759837893.db2.gz FJNWOKRBNWOCLF-HOCLYGCPSA-N 1 1 349.435 0.216 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH2+]Cc3nnn(C)n3)C2)cn1 ZINC001048034999 759864303 /nfs/dbraw/zinc/86/43/03/759864303.db2.gz QYTWJOYIDSIESV-OCCSQVGLSA-N 1 1 339.403 0.227 20 30 ECEDMO Cn1cc(C[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)nn1 ZINC000995643487 759923034 /nfs/dbraw/zinc/92/30/34/759923034.db2.gz CKZVQUHFFTUUSN-AWEZNQCLSA-N 1 1 327.392 0.655 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001050219700 759960080 /nfs/dbraw/zinc/96/00/80/759960080.db2.gz AGQUSRQDFPETBH-YNEHKIRRSA-N 1 1 339.823 0.715 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001050219700 759960083 /nfs/dbraw/zinc/96/00/83/759960083.db2.gz AGQUSRQDFPETBH-YNEHKIRRSA-N 1 1 339.823 0.715 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001050220391 759961322 /nfs/dbraw/zinc/96/13/22/759961322.db2.gz NQLRVNSQWBGSBO-RRFJBIMHSA-N 1 1 333.432 0.928 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)C1=O ZINC001050222557 759969529 /nfs/dbraw/zinc/96/95/29/759969529.db2.gz BOTNRXZFQLQNDY-GDBMZVCRSA-N 1 1 345.447 0.567 20 30 ECEDMO Cn1ncc(C[NH2+][C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)n1 ZINC000995673428 760018205 /nfs/dbraw/zinc/01/82/05/760018205.db2.gz CDVTUGGGPZQJKL-AWEZNQCLSA-N 1 1 327.392 0.655 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001050296926 760078661 /nfs/dbraw/zinc/07/86/61/760078661.db2.gz JTESYSWTFQWOBR-LSDHHAIUSA-N 1 1 325.453 0.884 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C ZINC001050319049 760116776 /nfs/dbraw/zinc/11/67/76/760116776.db2.gz ISLDDIAPAJRAPV-RISCZKNCSA-N 1 1 325.376 0.637 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)[C@@H]2C)C1 ZINC001050346674 760157159 /nfs/dbraw/zinc/15/71/59/760157159.db2.gz KSNOTGSWBLWODD-COXVUDFISA-N 1 1 343.431 0.757 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)[C@@H]2C)C1 ZINC001050346674 760157162 /nfs/dbraw/zinc/15/71/62/760157162.db2.gz KSNOTGSWBLWODD-COXVUDFISA-N 1 1 343.431 0.757 20 30 ECEDMO C=CCn1cccc1C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001048277924 760206306 /nfs/dbraw/zinc/20/63/06/760206306.db2.gz RGSFMCJZCOUTEY-ZIAGYGMSSA-N 1 1 343.435 0.696 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(CC)CC)C1 ZINC001048322196 760298430 /nfs/dbraw/zinc/29/84/30/760298430.db2.gz ZFKMHHHUAUOLLZ-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(CC)CC)C1 ZINC001048322196 760298434 /nfs/dbraw/zinc/29/84/34/760298434.db2.gz ZFKMHHHUAUOLLZ-ULQDDVLXSA-N 1 1 349.475 0.550 20 30 ECEDMO C[NH+]=C(NC[C@H](C1CC1)N(C)C)N1CCN(C(=O)c2ccco2)CC1 ZINC000073187973 760323920 /nfs/dbraw/zinc/32/39/20/760323920.db2.gz YVJBUGJAFCCRKG-OAHLLOKOSA-N 1 1 347.463 0.953 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC000993039278 767943541 /nfs/dbraw/zinc/94/35/41/767943541.db2.gz FACNUTBPAWZYAG-QWQRMKEZSA-N 1 1 332.448 0.937 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNc1ccnc(C#N)n1 ZINC001060223232 760371983 /nfs/dbraw/zinc/37/19/83/760371983.db2.gz PZXGPYHFIBENAT-KGLIPLIRSA-N 1 1 328.420 0.657 20 30 ECEDMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNc1cncc(C#N)n1 ZINC001054409462 767962347 /nfs/dbraw/zinc/96/23/47/767962347.db2.gz QMPHVLBAAITUBK-MGPQQGTHSA-N 1 1 328.420 0.806 20 30 ECEDMO CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)CC1 ZINC001050684223 760663444 /nfs/dbraw/zinc/66/34/44/760663444.db2.gz FXWTYVNXIDIPPW-HNNXBMFYSA-N 1 1 338.473 0.759 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1O ZINC001048530298 760666971 /nfs/dbraw/zinc/66/69/71/760666971.db2.gz BUKOMHUOBKOKPG-ILXRZTDVSA-N 1 1 346.431 0.757 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001048530534 760668470 /nfs/dbraw/zinc/66/84/70/760668470.db2.gz HHIOQXGVXUYMHY-GJZGRUSLSA-N 1 1 339.480 0.961 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@@H]1O ZINC001048539175 760681892 /nfs/dbraw/zinc/68/18/92/760681892.db2.gz CHPTVDVCVKOQAZ-PMPSAXMXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CCCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001048558801 760715594 /nfs/dbraw/zinc/71/55/94/760715594.db2.gz WLJDWCGZXJUWSN-PMPSAXMXSA-N 1 1 349.475 0.857 20 30 ECEDMO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1C(N)=O)C2 ZINC001048583254 760753144 /nfs/dbraw/zinc/75/31/44/760753144.db2.gz IFTGKILGVWYAEF-FZKCQIBNSA-N 1 1 332.448 0.912 20 30 ECEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001048588693 760762194 /nfs/dbraw/zinc/76/21/94/760762194.db2.gz LNMSDMRJCREITO-LXTVHRRPSA-N 1 1 341.477 0.613 20 30 ECEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001048589262 760763462 /nfs/dbraw/zinc/76/34/62/760763462.db2.gz FISFSLOHOYPBRY-XMTFNYHQSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2nnc(C)o2)C(C)(C)C1 ZINC000995923074 760783851 /nfs/dbraw/zinc/78/38/51/760783851.db2.gz LITXDVYIRQKTST-GJZGRUSLSA-N 1 1 345.447 0.802 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2nnc(C)o2)C(C)(C)C1 ZINC000995923074 760783858 /nfs/dbraw/zinc/78/38/58/760783858.db2.gz LITXDVYIRQKTST-GJZGRUSLSA-N 1 1 345.447 0.802 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1c1cnc(C#N)cn1 ZINC001048612805 760790964 /nfs/dbraw/zinc/79/09/64/760790964.db2.gz FZOLVFXPYHDECZ-RRFJBIMHSA-N 1 1 344.419 0.152 20 30 ECEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1c1cnc(C#N)cn1 ZINC001048612805 760790969 /nfs/dbraw/zinc/79/09/69/760790969.db2.gz FZOLVFXPYHDECZ-RRFJBIMHSA-N 1 1 344.419 0.152 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]([C@@H](C)NC(=O)C#CC2CC2)C1 ZINC001050770862 760813401 /nfs/dbraw/zinc/81/34/01/760813401.db2.gz DJKVLSHVVMAGHB-CJNGLKHVSA-N 1 1 328.416 0.958 20 30 ECEDMO C=C(Br)CN1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001050839820 760970724 /nfs/dbraw/zinc/97/07/24/760970724.db2.gz YWTWELZLLSCVJO-CHWSQXEVSA-N 1 1 346.269 0.806 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C[C@@H]4CCCO4)C[C@H]3C2)C1=O ZINC001048695067 760956714 /nfs/dbraw/zinc/95/67/14/760956714.db2.gz FJTWKNSWUYZLAF-YVSFHVDLSA-N 1 1 347.459 0.733 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)C[C@@H]2C1 ZINC001048726466 761051056 /nfs/dbraw/zinc/05/10/56/761051056.db2.gz FEEYQCNXVONWML-UYHMYPTGSA-N 1 1 344.390 0.902 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)C[C@@H]2C1 ZINC001048726466 761051066 /nfs/dbraw/zinc/05/10/66/761051066.db2.gz FEEYQCNXVONWML-UYHMYPTGSA-N 1 1 344.390 0.902 20 30 ECEDMO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@@H]2C1 ZINC001048726434 761051950 /nfs/dbraw/zinc/05/19/50/761051950.db2.gz DVXARHDEAOMKGM-WQVCFCJDSA-N 1 1 326.400 0.835 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC001017460550 768006375 /nfs/dbraw/zinc/00/63/75/768006375.db2.gz BXZJDHRVPFOYDV-HNNXBMFYSA-N 1 1 341.415 0.727 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)C1=O ZINC001048750208 761109693 /nfs/dbraw/zinc/10/96/93/761109693.db2.gz TVJBJLGPEIUCAL-LZWOXQAQSA-N 1 1 341.415 0.511 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1ccccn1 ZINC001050963086 761231508 /nfs/dbraw/zinc/23/15/08/761231508.db2.gz UMBVJBNBCDVMNO-MSOLQXFVSA-N 1 1 342.443 0.496 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1ccccn1 ZINC001050963086 761231513 /nfs/dbraw/zinc/23/15/13/761231513.db2.gz UMBVJBNBCDVMNO-MSOLQXFVSA-N 1 1 342.443 0.496 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001013257220 761233034 /nfs/dbraw/zinc/23/30/34/761233034.db2.gz AFPBJAOLNLGLAA-BXUZGUMPSA-N 1 1 340.387 0.811 20 30 ECEDMO C=C(C)CCN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051030401 761366633 /nfs/dbraw/zinc/36/66/33/761366633.db2.gz YZUGOKARPUUNAE-DHADLLTHSA-N 1 1 349.475 0.633 20 30 ECEDMO C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001051111108 761509358 /nfs/dbraw/zinc/50/93/58/761509358.db2.gz NCDCWXXQCXYUQY-WBVHZDCISA-N 1 1 330.432 0.594 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1Cl ZINC001105756397 761537703 /nfs/dbraw/zinc/53/77/03/761537703.db2.gz UNKAQRSKGDOINO-AAEUAGOBSA-N 1 1 337.811 0.590 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1Cl ZINC001105756398 761538165 /nfs/dbraw/zinc/53/81/65/761538165.db2.gz UNKAQRSKGDOINO-DGCLKSJQSA-N 1 1 337.811 0.590 20 30 ECEDMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1 ZINC001054573533 768046437 /nfs/dbraw/zinc/04/64/37/768046437.db2.gz OHFBJIYREBGJLI-IAQYHMDHSA-N 1 1 327.392 0.748 20 30 ECEDMO CCn1ncnc1C[NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001054588052 768056092 /nfs/dbraw/zinc/05/60/92/768056092.db2.gz ODOXZIYCBKJZMD-RISCZKNCSA-N 1 1 327.392 0.748 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C#CC2CC2)C1 ZINC001051207076 761687690 /nfs/dbraw/zinc/68/76/90/761687690.db2.gz VKMZGVLIOWBZOM-GDBMZVCRSA-N 1 1 328.416 0.958 20 30 ECEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C1CCN(C(N)=O)CC1 ZINC001051238449 761738099 /nfs/dbraw/zinc/73/80/99/761738099.db2.gz NRGZXYQPVOYMAC-OAHLLOKOSA-N 1 1 338.452 0.560 20 30 ECEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C1CCN(C(N)=O)CC1 ZINC001051238449 761738101 /nfs/dbraw/zinc/73/81/01/761738101.db2.gz NRGZXYQPVOYMAC-OAHLLOKOSA-N 1 1 338.452 0.560 20 30 ECEDMO CCc1cc(NC[C@H](O)CNC(=O)c2ccc(C#N)[nH]2)nc(C)[nH+]1 ZINC001105789325 761805514 /nfs/dbraw/zinc/80/55/14/761805514.db2.gz UWVVFMYIKZMPFT-ZDUSSCGKSA-N 1 1 328.376 0.750 20 30 ECEDMO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@H]3C[C@H]3C(N)=O)cccc2C1 ZINC001051299001 761851755 /nfs/dbraw/zinc/85/17/55/761851755.db2.gz RBEVYPIMCMSTTR-SJORKVTESA-N 1 1 325.412 0.806 20 30 ECEDMO C=C(C)C(C)(C)C(=O)N1CCO[C@H](C[NH2+][C@H](C)c2nnnn2C)C1 ZINC001051753081 762880208 /nfs/dbraw/zinc/88/02/08/762880208.db2.gz VWXGKGLBIVOATM-CHWSQXEVSA-N 1 1 336.440 0.690 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001030401100 762937591 /nfs/dbraw/zinc/93/75/91/762937591.db2.gz MXMODOMPFFIUQM-CVEARBPZSA-N 1 1 334.464 0.448 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nc1 ZINC001046781732 763117079 /nfs/dbraw/zinc/11/70/79/763117079.db2.gz NRUTWSMSYYPGRL-VQIMIIECSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(OC)nn2)C1 ZINC001014771422 763128805 /nfs/dbraw/zinc/12/88/05/763128805.db2.gz YANOHFWDIFWGTI-ZBFHGGJFSA-N 1 1 343.431 0.273 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(OC)nn2)C1 ZINC001014771422 763128808 /nfs/dbraw/zinc/12/88/08/763128808.db2.gz YANOHFWDIFWGTI-ZBFHGGJFSA-N 1 1 343.431 0.273 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001105972894 763136068 /nfs/dbraw/zinc/13/60/68/763136068.db2.gz RRGNGUDDKFFCRI-KBPBESRZSA-N 1 1 332.408 0.110 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001014780148 763140157 /nfs/dbraw/zinc/14/01/57/763140157.db2.gz QLVSUYNKEAFASH-HOCLYGCPSA-N 1 1 332.473 0.974 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001105973538 763141267 /nfs/dbraw/zinc/14/12/67/763141267.db2.gz YXCZWNBLXHXMEK-UONOGXRCSA-N 1 1 332.408 0.110 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001046806292 763148565 /nfs/dbraw/zinc/14/85/65/763148565.db2.gz QEPOWPUIYLUCHF-KRWDZBQOSA-N 1 1 325.372 0.948 20 30 ECEDMO Cc1cc(NC2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C#N)cn1 ZINC001051878055 763187056 /nfs/dbraw/zinc/18/70/56/763187056.db2.gz HHXICTRJMJLOOX-PGEKIEPBSA-N 1 1 343.431 0.321 20 30 ECEDMO Cc1cc(NC2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C#N)cn1 ZINC001051878055 763187059 /nfs/dbraw/zinc/18/70/59/763187059.db2.gz HHXICTRJMJLOOX-PGEKIEPBSA-N 1 1 343.431 0.321 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046829424 763188042 /nfs/dbraw/zinc/18/80/42/763188042.db2.gz DEMLULVKFJTFIP-BZUAXINKSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001046829424 763188047 /nfs/dbraw/zinc/18/80/47/763188047.db2.gz DEMLULVKFJTFIP-BZUAXINKSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001046829819 763188393 /nfs/dbraw/zinc/18/83/93/763188393.db2.gz LYPGLJOPRIQXPB-BPLDGKMQSA-N 1 1 344.419 0.376 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 ZINC001046829819 763188396 /nfs/dbraw/zinc/18/83/96/763188396.db2.gz LYPGLJOPRIQXPB-BPLDGKMQSA-N 1 1 344.419 0.376 20 30 ECEDMO C=CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C(F)F)C[C@@H](C)O2 ZINC001111531702 763194574 /nfs/dbraw/zinc/19/45/74/763194574.db2.gz HIUQDIMOGGPIAX-GFCCVEGCSA-N 1 1 345.390 0.636 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NCC2=CCN(c3cncc(C#N)n3)CC2)C1 ZINC001127669780 763211231 /nfs/dbraw/zinc/21/12/31/763211231.db2.gz HEAMYIWPGLASRY-HNNXBMFYSA-N 1 1 340.431 0.943 20 30 ECEDMO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCCNC1=O ZINC001014812759 763217339 /nfs/dbraw/zinc/21/73/39/763217339.db2.gz VFDZPRMPTIKILZ-DLBZAZTESA-N 1 1 343.402 0.894 20 30 ECEDMO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCCNC1=O ZINC001014812759 763217347 /nfs/dbraw/zinc/21/73/47/763217347.db2.gz VFDZPRMPTIKILZ-DLBZAZTESA-N 1 1 343.402 0.894 20 30 ECEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001105983064 763235669 /nfs/dbraw/zinc/23/56/69/763235669.db2.gz VJTMZWNCVOXXPE-NVXWUHKLSA-N 1 1 345.447 0.527 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3cncs3)C2)C1=O ZINC001014838200 763280638 /nfs/dbraw/zinc/28/06/38/763280638.db2.gz JYNMSOXFJXZSCY-GXTWGEPZSA-N 1 1 334.445 0.663 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3cncs3)C2)C1=O ZINC001014838200 763280647 /nfs/dbraw/zinc/28/06/47/763280647.db2.gz JYNMSOXFJXZSCY-GXTWGEPZSA-N 1 1 334.445 0.663 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(C)nc3CC)C2)C1=O ZINC001014840478 763286158 /nfs/dbraw/zinc/28/61/58/763286158.db2.gz FSLBFGUQMKRBOZ-CZUORRHYSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cn(C)nc3CC)C2)C1=O ZINC001014840478 763286162 /nfs/dbraw/zinc/28/61/62/763286162.db2.gz FSLBFGUQMKRBOZ-CZUORRHYSA-N 1 1 345.447 0.574 20 30 ECEDMO C=CCN1CC[C@@H]([NH2+]C[C@@]2(C)CCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001046885177 763297807 /nfs/dbraw/zinc/29/78/07/763297807.db2.gz CJDKWVGEBUZJEX-CXAGYDPISA-N 1 1 331.420 0.638 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)nc1 ZINC001051907915 763301089 /nfs/dbraw/zinc/30/10/89/763301089.db2.gz CSEPYMHRZBUQOH-AWEZNQCLSA-N 1 1 327.344 0.077 20 30 ECEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCCC3)CCO2)cc1 ZINC001051935886 763386301 /nfs/dbraw/zinc/38/63/01/763386301.db2.gz ZEVNDBWPKJARRD-GOSISDBHSA-N 1 1 342.443 0.971 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)CN3CCCC3)C2)CC1 ZINC000940544153 763402873 /nfs/dbraw/zinc/40/28/73/763402873.db2.gz YMUHPSHSHOXSAL-QGZVFWFLSA-N 1 1 346.475 0.145 20 30 ECEDMO C[C@H](O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046930762 763409153 /nfs/dbraw/zinc/40/91/53/763409153.db2.gz IXAKDCBTWCXYHC-WDEREUQCSA-N 1 1 326.347 0.954 20 30 ECEDMO C#CCN1CCC(C(=O)N2CCO[C@H](C[NH2+]CC3CCC3)C2)CC1 ZINC001051943705 763409356 /nfs/dbraw/zinc/40/93/56/763409356.db2.gz ODVUCLSTGAKCDD-GOSISDBHSA-N 1 1 333.476 0.949 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000940548324 763409811 /nfs/dbraw/zinc/40/98/11/763409811.db2.gz ZQECLBUZJQNUMZ-VYDXJSESSA-N 1 1 346.431 0.890 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2c(C)onc2CC)C1 ZINC001030462297 763436616 /nfs/dbraw/zinc/43/66/16/763436616.db2.gz PQYCBDYADHFMHP-KRWDZBQOSA-N 1 1 330.432 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2c(C)onc2CC)C1 ZINC001030462297 763436618 /nfs/dbraw/zinc/43/66/18/763436618.db2.gz PQYCBDYADHFMHP-KRWDZBQOSA-N 1 1 330.432 0.943 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(CCc2cnn(CC)c2)C1 ZINC001030464145 763456119 /nfs/dbraw/zinc/45/61/19/763456119.db2.gz JFOGBXZPWRHXKH-KRWDZBQOSA-N 1 1 329.448 0.344 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(CCc2cnn(CC)c2)C1 ZINC001030464145 763456124 /nfs/dbraw/zinc/45/61/24/763456124.db2.gz JFOGBXZPWRHXKH-KRWDZBQOSA-N 1 1 329.448 0.344 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046961504 763468973 /nfs/dbraw/zinc/46/89/73/763468973.db2.gz WQOUCDTYXQMJML-GFCCVEGCSA-N 1 1 338.358 0.491 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046961504 763468978 /nfs/dbraw/zinc/46/89/78/763468978.db2.gz WQOUCDTYXQMJML-GFCCVEGCSA-N 1 1 338.358 0.491 20 30 ECEDMO C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001040926397 763471116 /nfs/dbraw/zinc/47/11/16/763471116.db2.gz ZDLVDZBSTNHNNF-MAUKXSAKSA-N 1 1 337.464 0.907 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001046964871 763476827 /nfs/dbraw/zinc/47/68/27/763476827.db2.gz YVDAIMZBQJSZBF-CHWSQXEVSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001046964872 763477011 /nfs/dbraw/zinc/47/70/11/763477011.db2.gz YVDAIMZBQJSZBF-OLZOCXBDSA-N 1 1 327.375 0.561 20 30 ECEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001046969504 763487749 /nfs/dbraw/zinc/48/77/49/763487749.db2.gz BZJRLZCSXHSSIL-OLZOCXBDSA-N 1 1 327.375 0.752 20 30 ECEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001046969504 763487751 /nfs/dbraw/zinc/48/77/51/763487751.db2.gz BZJRLZCSXHSSIL-OLZOCXBDSA-N 1 1 327.375 0.752 20 30 ECEDMO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001046974191 763494655 /nfs/dbraw/zinc/49/46/55/763494655.db2.gz GVPWVEYZRZGFFB-HZSPNIEDSA-N 1 1 341.402 0.807 20 30 ECEDMO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001046974191 763494660 /nfs/dbraw/zinc/49/46/60/763494660.db2.gz GVPWVEYZRZGFFB-HZSPNIEDSA-N 1 1 341.402 0.807 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046994621 763532234 /nfs/dbraw/zinc/53/22/34/763532234.db2.gz KHDWWACRPUZPGY-NSHDSACASA-N 1 1 328.363 0.597 20 30 ECEDMO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001046997530 763538782 /nfs/dbraw/zinc/53/87/82/763538782.db2.gz ARJVEISKWFPNMM-NEPJUHHUSA-N 1 1 330.379 0.789 20 30 ECEDMO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031917000 763560728 /nfs/dbraw/zinc/56/07/28/763560728.db2.gz LFJBLABMZPICGP-QGZVFWFLSA-N 1 1 325.412 0.707 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)CC1 ZINC001052013177 763585124 /nfs/dbraw/zinc/58/51/24/763585124.db2.gz SFTJOBZOPQPQNA-HZPDHXFCSA-N 1 1 333.432 0.181 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ncc[nH]3)C2)CC1 ZINC001052020013 763601133 /nfs/dbraw/zinc/60/11/33/763601133.db2.gz DFOUOHLDNAGDTC-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccnn3C)C2)CC1 ZINC001052020785 763602665 /nfs/dbraw/zinc/60/26/65/763602665.db2.gz JPVKVDRRTBTUCB-QGZVFWFLSA-N 1 1 329.448 0.204 20 30 ECEDMO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)C1 ZINC001106004190 763610438 /nfs/dbraw/zinc/61/04/38/763610438.db2.gz OBMCTXCPADUMHX-DZGCQCFKSA-N 1 1 346.435 0.215 20 30 ECEDMO C=CCN1CC[C@H](N2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001031926305 763613639 /nfs/dbraw/zinc/61/36/39/763613639.db2.gz ZAUWIESXAKSORM-XIRDDKMYSA-N 1 1 348.491 0.552 20 30 ECEDMO Cn1nccc1CN1CC[NH+]([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052025440 763616404 /nfs/dbraw/zinc/61/64/04/763616404.db2.gz DOWSXUDNLGUFHZ-SFHVURJKSA-N 1 1 341.459 0.552 20 30 ECEDMO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)CC[N@H+]1C ZINC001047065602 763616581 /nfs/dbraw/zinc/61/65/81/763616581.db2.gz NTHSKBFXEDOUTP-QHSBEEBCSA-N 1 1 328.420 0.995 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3nn(C)cc3C)C2)CC1 ZINC001052025594 763617113 /nfs/dbraw/zinc/61/71/13/763617113.db2.gz HSYJAYPAYNUFGD-INIZCTEOSA-N 1 1 329.448 0.584 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 ZINC001052026768 763619617 /nfs/dbraw/zinc/61/96/17/763619617.db2.gz SYKVGVWEKMEHKG-DLBZAZTESA-N 1 1 333.480 0.601 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3C=C)C2)CC1 ZINC001052030822 763630478 /nfs/dbraw/zinc/63/04/78/763630478.db2.gz WBUPCPRUBFNFIU-KSZLIROESA-N 1 1 331.460 0.819 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cc(OC)no3)C2)CC1 ZINC001052035519 763643794 /nfs/dbraw/zinc/64/37/94/763643794.db2.gz KYZLTRTVRUYBHS-HNNXBMFYSA-N 1 1 346.431 0.468 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc(C4CC4)no3)C2)CC1 ZINC001052036209 763647714 /nfs/dbraw/zinc/64/77/14/763647714.db2.gz HRSOUBLPXJJGRK-MRXNPFEDSA-N 1 1 342.443 0.946 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)CC1 ZINC001052041591 763668143 /nfs/dbraw/zinc/66/81/43/763668143.db2.gz MAEJINYGPCAOIQ-QAPCUYQASA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)CC1 ZINC001052041591 763668148 /nfs/dbraw/zinc/66/81/48/763668148.db2.gz MAEJINYGPCAOIQ-QAPCUYQASA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCn4cncc4C3)C2)CC1 ZINC001052043332 763673668 /nfs/dbraw/zinc/67/36/68/763673668.db2.gz VHPFWIWCRYRETR-DLBZAZTESA-N 1 1 341.459 0.297 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCc4nccn4C3)C2)CC1 ZINC001052044944 763681456 /nfs/dbraw/zinc/68/14/56/763681456.db2.gz NYRHISHRKCCEEJ-IRXDYDNUSA-N 1 1 343.475 0.850 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045958 763685738 /nfs/dbraw/zinc/68/57/38/763685738.db2.gz YTNVWSFVASTPKK-KRWDZBQOSA-N 1 1 347.438 0.708 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cccnc3)C2)CC1 ZINC001052047283 763690319 /nfs/dbraw/zinc/69/03/19/763690319.db2.gz LBJIOIWDFYEJHH-QGZVFWFLSA-N 1 1 327.432 0.756 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(CC)[nH]c(=O)c3)C2)CC1 ZINC001052048673 763697434 /nfs/dbraw/zinc/69/74/34/763697434.db2.gz APJZGORZNWAUAX-KRWDZBQOSA-N 1 1 342.443 0.815 20 30 ECEDMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001052050164 763704711 /nfs/dbraw/zinc/70/47/11/763704711.db2.gz JCKGOAOZDIYJGN-KGLIPLIRSA-N 1 1 340.493 0.794 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)CC1 ZINC001052050745 763708481 /nfs/dbraw/zinc/70/84/81/763708481.db2.gz YNEOXXFECWTUPK-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001054679570 768156744 /nfs/dbraw/zinc/15/67/44/768156744.db2.gz KFMDVBLRSZZURP-MWLCHTKSSA-N 1 1 326.832 0.925 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052053742 763720059 /nfs/dbraw/zinc/72/00/59/763720059.db2.gz RBCMRXUZGNHLIR-FUHWJXTLSA-N 1 1 343.475 0.765 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052053741 763720202 /nfs/dbraw/zinc/72/02/02/763720202.db2.gz RBCMRXUZGNHLIR-AEFFLSMTSA-N 1 1 343.475 0.765 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001052058284 763733682 /nfs/dbraw/zinc/73/36/82/763733682.db2.gz WIJDTPAOTUFKIW-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001052058284 763733688 /nfs/dbraw/zinc/73/36/88/763733688.db2.gz WIJDTPAOTUFKIW-HZPDHXFCSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccn4nnnc4c3)C2)CC1 ZINC001052060268 763739542 /nfs/dbraw/zinc/73/95/42/763739542.db2.gz BBYNGFVDALRUFR-OAHLLOKOSA-N 1 1 341.419 0.142 20 30 ECEDMO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4cccnc34)C2)CC1 ZINC001052060782 763741149 /nfs/dbraw/zinc/74/11/49/763741149.db2.gz MADNRRAICYEKGD-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4cccnc34)C2)CC1 ZINC001052060782 763741156 /nfs/dbraw/zinc/74/11/56/763741156.db2.gz MADNRRAICYEKGD-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4cccnc34)C2)CC1 ZINC001052060676 763741699 /nfs/dbraw/zinc/74/16/99/763741699.db2.gz JUKSLLRLVYLJBF-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4n3CCCC4)C2)CC1 ZINC001052068608 763763196 /nfs/dbraw/zinc/76/31/96/763763196.db2.gz KWFNBMZWHIHXNE-INIZCTEOSA-N 1 1 341.459 0.685 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)C1 ZINC001052068439 763763286 /nfs/dbraw/zinc/76/32/86/763763286.db2.gz IYRCAUATKPZJDH-QZTJIDSGSA-N 1 1 347.507 0.850 20 30 ECEDMO C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069377 763766175 /nfs/dbraw/zinc/76/61/75/763766175.db2.gz ZFQDLATWHBFCHE-MAUKXSAKSA-N 1 1 334.464 0.307 20 30 ECEDMO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069377 763766181 /nfs/dbraw/zinc/76/61/81/763766181.db2.gz ZFQDLATWHBFCHE-MAUKXSAKSA-N 1 1 334.464 0.307 20 30 ECEDMO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(c4cc(C)no4)CC3)C2)CC1 ZINC001052071185 763771003 /nfs/dbraw/zinc/77/10/03/763771003.db2.gz RACNIQUPTNNSAD-MRXNPFEDSA-N 1 1 342.443 0.866 20 30 ECEDMO C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052077713 763787319 /nfs/dbraw/zinc/78/73/19/763787319.db2.gz UPQIDSXEOKPNOB-QZTJIDSGSA-N 1 1 334.508 0.814 20 30 ECEDMO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052078728 763790881 /nfs/dbraw/zinc/79/08/81/763790881.db2.gz AGRBIBWXXRHJFC-IRXDYDNUSA-N 1 1 346.475 0.287 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081358 763797510 /nfs/dbraw/zinc/79/75/10/763797510.db2.gz AETWYRYKTIYURO-ROUUACIJSA-N 1 1 332.492 0.713 20 30 ECEDMO C#CCCN1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081358 763797518 /nfs/dbraw/zinc/79/75/18/763797518.db2.gz AETWYRYKTIYURO-ROUUACIJSA-N 1 1 332.492 0.713 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081454 763799169 /nfs/dbraw/zinc/79/91/69/763799169.db2.gz BQHNFTIKSOFSMF-QZTJIDSGSA-N 1 1 332.492 0.570 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)nn3CC)C2)CC1 ZINC001052085680 763812521 /nfs/dbraw/zinc/81/25/21/763812521.db2.gz IWXHHKSCZYUOED-INIZCTEOSA-N 1 1 329.448 0.677 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3c[nH]c(=O)cc3C)C2)C1=O ZINC001031967338 763848595 /nfs/dbraw/zinc/84/85/95/763848595.db2.gz MWISVOUVHJAFDS-OAHLLOKOSA-N 1 1 344.415 0.544 20 30 ECEDMO C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)C2)CC1 ZINC001052097973 763851705 /nfs/dbraw/zinc/85/17/05/763851705.db2.gz AWTMBMHNBBFUPF-PBHICJAKSA-N 1 1 343.475 0.982 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3coc(COC)n3)C2)CC1 ZINC001052104073 763872293 /nfs/dbraw/zinc/87/22/93/763872293.db2.gz XLFKBHOSVNRFSC-HNNXBMFYSA-N 1 1 346.431 0.676 20 30 ECEDMO C#CCC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]c(C)cc3=O)C2)CC1 ZINC001052105833 763876843 /nfs/dbraw/zinc/87/68/43/763876843.db2.gz RJPCKUZHFKPFOW-INIZCTEOSA-N 1 1 342.443 0.539 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106199 763879465 /nfs/dbraw/zinc/87/94/65/763879465.db2.gz FMMUSWXHBQRPBJ-GDBMZVCRSA-N 1 1 342.447 0.257 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)cn1 ZINC000995178952 763906186 /nfs/dbraw/zinc/90/61/86/763906186.db2.gz ZMALKVICHYHOGT-WFASDCNBSA-N 1 1 339.403 0.275 20 30 ECEDMO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cncn3C)C2)CC1 ZINC001052113136 763910493 /nfs/dbraw/zinc/91/04/93/763910493.db2.gz MVTFWOHUGGTHQR-GOSISDBHSA-N 1 1 343.475 0.595 20 30 ECEDMO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CN3CCCCCC3=O)C2)CC1 ZINC001052117254 763926749 /nfs/dbraw/zinc/92/67/49/763926749.db2.gz JFIQYMWZTFMNKS-MRXNPFEDSA-N 1 1 347.463 0.131 20 30 ECEDMO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)N1CCCCC1=O ZINC001052119765 763937961 /nfs/dbraw/zinc/93/79/61/763937961.db2.gz VNPLFHNRMSELSC-HZPDHXFCSA-N 1 1 347.463 0.129 20 30 ECEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031978576 763938349 /nfs/dbraw/zinc/93/83/49/763938349.db2.gz HNUSMQMDVJVWJE-LSDHHAIUSA-N 1 1 346.456 0.892 20 30 ECEDMO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(CC)n(C)n3)C2)CC1 ZINC001052125385 763953024 /nfs/dbraw/zinc/95/30/24/763953024.db2.gz QNVJQPASGFGTPS-KRWDZBQOSA-N 1 1 343.475 0.838 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088863637 763953124 /nfs/dbraw/zinc/95/31/24/763953124.db2.gz PJGJQQBUTUVCCX-SIXLDLHFSA-N 1 1 325.412 0.739 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1CC#Cc1ccccc1 ZINC001088863637 763953128 /nfs/dbraw/zinc/95/31/28/763953128.db2.gz PJGJQQBUTUVCCX-SIXLDLHFSA-N 1 1 325.412 0.739 20 30 ECEDMO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047312088 763958479 /nfs/dbraw/zinc/95/84/79/763958479.db2.gz LXAXVDXLFJYVOC-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047312088 763958481 /nfs/dbraw/zinc/95/84/81/763958481.db2.gz LXAXVDXLFJYVOC-HOTGVXAUSA-N 1 1 325.372 0.599 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3[nH]c(C)nc3C)C2)C1=O ZINC001031985097 763985332 /nfs/dbraw/zinc/98/53/32/763985332.db2.gz NIHFIMOFZNNESW-CQSZACIVSA-N 1 1 331.420 0.475 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1=O ZINC001031992203 764017195 /nfs/dbraw/zinc/01/71/95/764017195.db2.gz PBURITJKXYJANL-WCVJEAGWSA-N 1 1 333.432 0.389 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccnn3C)CC2)C1=O ZINC001052243990 764122015 /nfs/dbraw/zinc/12/20/15/764122015.db2.gz DXKQFUNTZSDMSU-HOCLYGCPSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnn3C)CC2)C1=O ZINC001052243993 764122075 /nfs/dbraw/zinc/12/20/75/764122075.db2.gz DXKQFUNTZSDMSU-ZBFHGGJFSA-N 1 1 345.447 0.791 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(C(N)=O)co1 ZINC001089863138 764122816 /nfs/dbraw/zinc/12/28/16/764122816.db2.gz UWZRVPRQUASOGZ-MHEUCROKSA-N 1 1 327.384 0.794 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cn(CC)nc3C)C2)C1=O ZINC001032015619 764125163 /nfs/dbraw/zinc/12/51/63/764125163.db2.gz XEEMYXCFDMUYCB-MRXNPFEDSA-N 1 1 345.447 0.660 20 30 ECEDMO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1=O ZINC001030594130 764153119 /nfs/dbraw/zinc/15/31/19/764153119.db2.gz GBKQRMLZLMXTFX-SJORKVTESA-N 1 1 348.491 0.694 20 30 ECEDMO CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001106976147 764186857 /nfs/dbraw/zinc/18/68/57/764186857.db2.gz VBEZCHUAJMGMEW-LSDHHAIUSA-N 1 1 344.419 0.472 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001047392579 764197765 /nfs/dbraw/zinc/19/77/65/764197765.db2.gz OWZJOZLXSWCXFF-PMPSAXMXSA-N 1 1 335.448 0.162 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001047392579 764197770 /nfs/dbraw/zinc/19/77/70/764197770.db2.gz OWZJOZLXSWCXFF-PMPSAXMXSA-N 1 1 335.448 0.162 20 30 ECEDMO Cc1nsc(NC[C@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)c1C#N ZINC001106059703 764206779 /nfs/dbraw/zinc/20/67/79/764206779.db2.gz HJFVNVGOFIWXAA-YPMHNXCESA-N 1 1 337.449 0.697 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001047397963 764212731 /nfs/dbraw/zinc/21/27/31/764212731.db2.gz QHFUHLVVGBFQCH-GJZGRUSLSA-N 1 1 326.352 0.543 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001047397963 764212740 /nfs/dbraw/zinc/21/27/40/764212740.db2.gz QHFUHLVVGBFQCH-GJZGRUSLSA-N 1 1 326.352 0.543 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052308815 764224394 /nfs/dbraw/zinc/22/43/94/764224394.db2.gz AXWNLDVEEMBKHW-OLZOCXBDSA-N 1 1 331.420 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNc1ncnc2nc[nH]c21 ZINC001106985203 764244003 /nfs/dbraw/zinc/24/40/03/764244003.db2.gz BYRCDCZYKRSCIY-ZDUSSCGKSA-N 1 1 341.419 0.663 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNc1ncnc2nc[nH]c21 ZINC001106985203 764244010 /nfs/dbraw/zinc/24/40/10/764244010.db2.gz BYRCDCZYKRSCIY-ZDUSSCGKSA-N 1 1 341.419 0.663 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3cc(C)nc3s2)C1 ZINC001047407744 764251098 /nfs/dbraw/zinc/25/10/98/764251098.db2.gz PZDPDESRDDRWGD-STQMWFEESA-N 1 1 332.429 0.845 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3cc(C)nc3s2)C1 ZINC001047407744 764251105 /nfs/dbraw/zinc/25/11/05/764251105.db2.gz PZDPDESRDDRWGD-STQMWFEESA-N 1 1 332.429 0.845 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn3ccccc23)C1 ZINC001047412783 764264938 /nfs/dbraw/zinc/26/49/38/764264938.db2.gz HOLCKXZHBZYKMZ-IRXDYDNUSA-N 1 1 326.400 0.404 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn3ccccc23)C1 ZINC001047412783 764264943 /nfs/dbraw/zinc/26/49/43/764264943.db2.gz HOLCKXZHBZYKMZ-IRXDYDNUSA-N 1 1 326.400 0.404 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001047414259 764269796 /nfs/dbraw/zinc/26/97/96/764269796.db2.gz CVPNITJJUOWADS-QZWWFDLISA-N 1 1 347.459 0.304 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC001047414259 764269802 /nfs/dbraw/zinc/26/98/02/764269802.db2.gz CVPNITJJUOWADS-QZWWFDLISA-N 1 1 347.459 0.304 20 30 ECEDMO CCN(CCNc1nccnc1C#N)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001106987938 764275135 /nfs/dbraw/zinc/27/51/35/764275135.db2.gz GNDOTKNAEPGNHR-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO CCN(CCNc1nccnc1C#N)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001106987938 764275142 /nfs/dbraw/zinc/27/51/42/764275142.db2.gz GNDOTKNAEPGNHR-TZMCWYRMSA-N 1 1 332.408 0.328 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2CCCCC3)C1 ZINC001047424906 764305859 /nfs/dbraw/zinc/30/58/59/764305859.db2.gz BBAUFSTXOVVCMG-HOTGVXAUSA-N 1 1 330.432 0.750 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2CCCCC3)C1 ZINC001047424906 764305866 /nfs/dbraw/zinc/30/58/66/764305866.db2.gz BBAUFSTXOVVCMG-HOTGVXAUSA-N 1 1 330.432 0.750 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnnn3C)CC2)C1=O ZINC001052349839 764308860 /nfs/dbraw/zinc/30/88/60/764308860.db2.gz LYNWYAGGUYAGEE-UONOGXRCSA-N 1 1 346.435 0.186 20 30 ECEDMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)CNc2cncc(C#N)n2)C1 ZINC001106070189 764309310 /nfs/dbraw/zinc/30/93/10/764309310.db2.gz LQJKNWZOGQKHMJ-UKRRQHHQSA-N 1 1 346.435 0.359 20 30 ECEDMO C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001015296622 764324683 /nfs/dbraw/zinc/32/46/83/764324683.db2.gz XBZZARZFKVOBKQ-HUUCEWRRSA-N 1 1 331.420 0.169 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(C)nn3)CC2)C1=O ZINC001052358399 764325248 /nfs/dbraw/zinc/32/52/48/764325248.db2.gz HQUBQFTZOZHATH-HIFRSBDPSA-N 1 1 346.435 0.186 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001047432662 764329801 /nfs/dbraw/zinc/32/98/01/764329801.db2.gz CSTYKXQFONHQAZ-XIRDDKMYSA-N 1 1 332.448 0.915 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001047435325 764336964 /nfs/dbraw/zinc/33/69/64/764336964.db2.gz JCIDYEIYEIYADN-HOTGVXAUSA-N 1 1 340.383 0.476 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC001052378908 764367120 /nfs/dbraw/zinc/36/71/20/764367120.db2.gz KQNPNSRUFSQEOA-CABCVRRESA-N 1 1 343.431 0.757 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001047447868 764376674 /nfs/dbraw/zinc/37/66/74/764376674.db2.gz DUXCDQJZXWPXHE-ROUUACIJSA-N 1 1 343.427 0.463 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001047447868 764376679 /nfs/dbraw/zinc/37/66/79/764376679.db2.gz DUXCDQJZXWPXHE-ROUUACIJSA-N 1 1 343.427 0.463 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001047452516 764391680 /nfs/dbraw/zinc/39/16/80/764391680.db2.gz NKBHXFOSLDKPBH-KBMXLJTQSA-N 1 1 332.375 0.829 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001047452516 764391689 /nfs/dbraw/zinc/39/16/89/764391689.db2.gz NKBHXFOSLDKPBH-KBMXLJTQSA-N 1 1 332.375 0.829 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc(OCC)n2)C1 ZINC001047464621 764422456 /nfs/dbraw/zinc/42/24/56/764422456.db2.gz GRFFZDXDCUDOTN-HOTGVXAUSA-N 1 1 331.416 0.550 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccc(OCC)n2)C1 ZINC001047464621 764422465 /nfs/dbraw/zinc/42/24/65/764422465.db2.gz GRFFZDXDCUDOTN-HOTGVXAUSA-N 1 1 331.416 0.550 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001047471592 764439100 /nfs/dbraw/zinc/43/91/00/764439100.db2.gz OYYBAUCMRXRJBW-SNPRPXQTSA-N 1 1 334.420 0.607 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001047473528 764444318 /nfs/dbraw/zinc/44/43/18/764444318.db2.gz UMDFWKOZROLNPD-GJZGRUSLSA-N 1 1 330.388 0.983 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001047473528 764444326 /nfs/dbraw/zinc/44/43/26/764444326.db2.gz UMDFWKOZROLNPD-GJZGRUSLSA-N 1 1 330.388 0.983 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3nccn3)CC2)C1=O ZINC001052418033 764449903 /nfs/dbraw/zinc/44/99/03/764449903.db2.gz HYGBKOPAXMINGS-GJZGRUSLSA-N 1 1 346.435 0.036 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(=O)c3ccccc23)C1 ZINC001047480193 764468484 /nfs/dbraw/zinc/46/84/84/764468484.db2.gz JUPACTZCSFBFOA-IRXDYDNUSA-N 1 1 340.379 0.933 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(CC(F)F)CC2)C1 ZINC001047503572 764534128 /nfs/dbraw/zinc/53/41/28/764534128.db2.gz HHXIYFKBPITGCL-GJZGRUSLSA-N 1 1 343.418 0.490 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(CC(F)F)CC2)C1 ZINC001047503572 764534131 /nfs/dbraw/zinc/53/41/31/764534131.db2.gz HHXIYFKBPITGCL-GJZGRUSLSA-N 1 1 343.418 0.490 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]2O)C1 ZINC001083780716 764547519 /nfs/dbraw/zinc/54/75/19/764547519.db2.gz HXHGSQVMJZCGNO-OLMNPRSZSA-N 1 1 342.443 0.561 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]2O)C1 ZINC001047519283 764572880 /nfs/dbraw/zinc/57/28/80/764572880.db2.gz CWNRXXNHNSIGMX-JYJNAYRXSA-N 1 1 348.447 0.104 20 30 ECEDMO O=C(C#CC1CC1)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001047523053 764584880 /nfs/dbraw/zinc/58/48/80/764584880.db2.gz PNANSKYPDJPTBE-LZWOXQAQSA-N 1 1 326.400 0.861 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(CC)c2CC)C1 ZINC001047524991 764589290 /nfs/dbraw/zinc/58/92/90/764589290.db2.gz XLJMLRWRIMKWCW-GJZGRUSLSA-N 1 1 335.452 0.944 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CC(=O)NC1=O ZINC001089879256 764632894 /nfs/dbraw/zinc/63/28/94/764632894.db2.gz ZYZZYFFRBDFGJC-YJNKXOJESA-N 1 1 346.431 0.283 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001047548150 764659436 /nfs/dbraw/zinc/65/94/36/764659436.db2.gz TZDOJPQMCGQJEC-IRXDYDNUSA-N 1 1 328.412 0.864 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001047548150 764659442 /nfs/dbraw/zinc/65/94/42/764659442.db2.gz TZDOJPQMCGQJEC-IRXDYDNUSA-N 1 1 328.412 0.864 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(=O)(=O)C(C)C ZINC001099554223 764662990 /nfs/dbraw/zinc/66/29/90/764662990.db2.gz YIKIHCRHTHHZCL-FZKCQIBNSA-N 1 1 338.473 0.612 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC(C)CC2)C1 ZINC001047554329 764680557 /nfs/dbraw/zinc/68/05/57/764680557.db2.gz BAGOJGLVRLHAFA-HOTGVXAUSA-N 1 1 337.464 0.715 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CC[C@H](C)F)C[C@@H]2O)nn1 ZINC001047557604 764687269 /nfs/dbraw/zinc/68/72/69/764687269.db2.gz CXLADDOYCMVJBW-QEJZJMRPSA-N 1 1 339.415 0.719 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)nn1 ZINC001047557978 764690171 /nfs/dbraw/zinc/69/01/71/764690171.db2.gz SVCHCESYDAOYQW-KBMXLJTQSA-N 1 1 349.435 0.008 20 30 ECEDMO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001047565171 764705230 /nfs/dbraw/zinc/70/52/30/764705230.db2.gz HDMFEEBMKZGKFC-KBPBESRZSA-N 1 1 329.404 0.878 20 30 ECEDMO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001047565171 764705238 /nfs/dbraw/zinc/70/52/38/764705238.db2.gz HDMFEEBMKZGKFC-KBPBESRZSA-N 1 1 329.404 0.878 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001052537668 764713854 /nfs/dbraw/zinc/71/38/54/764713854.db2.gz NRMMZSDISYPLOL-CQSZACIVSA-N 1 1 334.420 0.886 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001052554899 764748067 /nfs/dbraw/zinc/74/80/67/764748067.db2.gz TUIGBIYXGLVWPI-XJKSGUPXSA-N 1 1 328.416 0.816 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(cnn3C)c2)C1 ZINC001047576306 764748701 /nfs/dbraw/zinc/74/87/01/764748701.db2.gz FGBOYAQGKUEQCU-GJZGRUSLSA-N 1 1 327.388 0.109 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3[nH]cnc3C)[C@H]2C)C1=O ZINC001089005992 764753829 /nfs/dbraw/zinc/75/38/29/764753829.db2.gz JDPQPIAYBFCMLW-YCPHGPKFSA-N 1 1 345.447 0.627 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)nc2OCC)C1 ZINC001047580593 764762954 /nfs/dbraw/zinc/76/29/54/764762954.db2.gz MGXFVWDTJLDFGD-HOTGVXAUSA-N 1 1 331.416 0.929 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)nc2OCC)C1 ZINC001047580593 764762959 /nfs/dbraw/zinc/76/29/59/764762959.db2.gz MGXFVWDTJLDFGD-HOTGVXAUSA-N 1 1 331.416 0.929 20 30 ECEDMO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001047580919 764764662 /nfs/dbraw/zinc/76/46/62/764764662.db2.gz BAGCTFICYSABDW-HOTGVXAUSA-N 1 1 341.415 0.417 20 30 ECEDMO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001047580919 764764672 /nfs/dbraw/zinc/76/46/72/764764672.db2.gz BAGCTFICYSABDW-HOTGVXAUSA-N 1 1 341.415 0.417 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(CC)on3)C2)C1=O ZINC001032135950 764786210 /nfs/dbraw/zinc/78/62/10/764786210.db2.gz VARHRFRHJIRRMN-OAHLLOKOSA-N 1 1 332.404 0.686 20 30 ECEDMO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H]3CCN(CC)C3=O)C2)nc1 ZINC001032137802 764789973 /nfs/dbraw/zinc/78/99/73/764789973.db2.gz ZKZRZYQLFNDPGG-INIZCTEOSA-N 1 1 326.400 0.345 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H]2CC)C1 ZINC001047588897 764793659 /nfs/dbraw/zinc/79/36/59/764793659.db2.gz UVROODDHDHEPIL-JYJNAYRXSA-N 1 1 337.464 0.857 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(C)nc3OC)C2)C1=O ZINC001015495250 764794945 /nfs/dbraw/zinc/79/49/45/764794945.db2.gz KICFKAIEMOLHKT-TZMCWYRMSA-N 1 1 347.419 0.020 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cn(C)nc3OC)C2)C1=O ZINC001015495250 764794953 /nfs/dbraw/zinc/79/49/53/764794953.db2.gz KICFKAIEMOLHKT-TZMCWYRMSA-N 1 1 347.419 0.020 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001047592158 764806159 /nfs/dbraw/zinc/80/61/59/764806159.db2.gz FUUGSLGKTFPSIQ-GJZGRUSLSA-N 1 1 344.419 0.503 20 30 ECEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CC1 ZINC001052589139 764808821 /nfs/dbraw/zinc/80/88/21/764808821.db2.gz CRULEAKJFQTHES-CYBMUJFWSA-N 1 1 327.392 0.828 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC001052595524 764821684 /nfs/dbraw/zinc/82/16/84/764821684.db2.gz VSYJGODYOBQZRR-HUUCEWRRSA-N 1 1 343.418 0.946 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ccc(C)nc23)C1 ZINC001047598892 764834617 /nfs/dbraw/zinc/83/46/17/764834617.db2.gz AQGZRUKROXYLJR-GJZGRUSLSA-N 1 1 329.404 0.731 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001047618886 764898896 /nfs/dbraw/zinc/89/88/96/764898896.db2.gz UBAMQZBGWIDMLA-KBPBESRZSA-N 1 1 344.419 0.434 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001047618886 764898903 /nfs/dbraw/zinc/89/89/03/764898903.db2.gz UBAMQZBGWIDMLA-KBPBESRZSA-N 1 1 344.419 0.434 20 30 ECEDMO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC001047619600 764900319 /nfs/dbraw/zinc/90/03/19/764900319.db2.gz RLFHFSLPTWKCSH-QWRGUYRKSA-N 1 1 330.310 0.039 20 30 ECEDMO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)(F)F)n2)C1 ZINC001047619600 764900359 /nfs/dbraw/zinc/90/03/59/764900359.db2.gz RLFHFSLPTWKCSH-QWRGUYRKSA-N 1 1 330.310 0.039 20 30 ECEDMO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)ccc2OC)C1 ZINC001047621730 764906300 /nfs/dbraw/zinc/90/63/00/764906300.db2.gz ZHJVXNAYHFRTPT-HOTGVXAUSA-N 1 1 332.400 0.844 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)CC1 ZINC001052636566 764907243 /nfs/dbraw/zinc/90/72/43/764907243.db2.gz TVWZTFMMVBUUAG-JTQLQIEISA-N 1 1 343.229 0.703 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)CC1 ZINC001052636566 764907251 /nfs/dbraw/zinc/90/72/51/764907251.db2.gz TVWZTFMMVBUUAG-JTQLQIEISA-N 1 1 343.229 0.703 20 30 ECEDMO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3[nH]cnc3C)C2)nn1 ZINC001098773901 764916985 /nfs/dbraw/zinc/91/69/85/764916985.db2.gz KEYVUDGNFIQGAW-CQSZACIVSA-N 1 1 329.408 0.601 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001052642907 764922848 /nfs/dbraw/zinc/92/28/48/764922848.db2.gz VXOMSCHRPRSDTJ-BBRMVZONSA-N 1 1 328.416 0.816 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1=O ZINC001015545579 764924017 /nfs/dbraw/zinc/92/40/17/764924017.db2.gz LMKBCCKZPQBXNL-IAGOWNOFSA-N 1 1 325.412 0.707 20 30 ECEDMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1=O ZINC001015545579 764924020 /nfs/dbraw/zinc/92/40/20/764924020.db2.gz LMKBCCKZPQBXNL-IAGOWNOFSA-N 1 1 325.412 0.707 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)C1=O ZINC001015550484 764937988 /nfs/dbraw/zinc/93/79/88/764937988.db2.gz STBHAWMKZHUDPN-SJORKVTESA-N 1 1 343.402 0.846 20 30 ECEDMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1=O ZINC001015550484 764937991 /nfs/dbraw/zinc/93/79/91/764937991.db2.gz STBHAWMKZHUDPN-SJORKVTESA-N 1 1 343.402 0.846 20 30 ECEDMO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001052670364 764970080 /nfs/dbraw/zinc/97/00/80/764970080.db2.gz DEOJWTDAHTUBHK-WDEREUQCSA-N 1 1 345.241 0.547 20 30 ECEDMO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001052670364 764970082 /nfs/dbraw/zinc/97/00/82/764970082.db2.gz DEOJWTDAHTUBHK-WDEREUQCSA-N 1 1 345.241 0.547 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)CC2)c1 ZINC001052698550 765004538 /nfs/dbraw/zinc/00/45/38/765004538.db2.gz LTELEXGMGSPVSX-KRWDZBQOSA-N 1 1 338.415 0.939 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC001052784255 765115643 /nfs/dbraw/zinc/11/56/43/765115643.db2.gz OPZMOAZASVSKKE-HNNXBMFYSA-N 1 1 346.435 0.173 20 30 ECEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001052784291 765116451 /nfs/dbraw/zinc/11/64/51/765116451.db2.gz PNJRGWBODBLFNH-FVRSWCFKSA-N 1 1 348.447 0.912 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1 ZINC001052785912 765118906 /nfs/dbraw/zinc/11/89/06/765118906.db2.gz LPWUOELGCAAUQT-IXDOHACOSA-N 1 1 330.432 0.892 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)C1 ZINC001015671974 765146217 /nfs/dbraw/zinc/14/62/17/765146217.db2.gz JEHSNOIJVCKEBK-CYBMUJFWSA-N 1 1 346.431 0.131 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)C1 ZINC001015671974 765146220 /nfs/dbraw/zinc/14/62/20/765146220.db2.gz JEHSNOIJVCKEBK-CYBMUJFWSA-N 1 1 346.431 0.131 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3nnc[nH]3)CC2)C1=O ZINC001052805284 765156272 /nfs/dbraw/zinc/15/62/72/765156272.db2.gz NXZHDFNNYLWSRW-QWHCGFSZSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001052805284 765156277 /nfs/dbraw/zinc/15/62/77/765156277.db2.gz NXZHDFNNYLWSRW-QWHCGFSZSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001052805284 765156290 /nfs/dbraw/zinc/15/62/90/765156290.db2.gz NXZHDFNNYLWSRW-QWHCGFSZSA-N 1 1 332.408 0.176 20 30 ECEDMO C=CCOCC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001052815271 765173363 /nfs/dbraw/zinc/17/33/63/765173363.db2.gz TXFWKYLGXLKQFI-HUUCEWRRSA-N 1 1 337.464 0.884 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001052824552 765185624 /nfs/dbraw/zinc/18/56/24/765185624.db2.gz NPYZACWCSDWWHH-CPUCHLNUSA-N 1 1 343.431 0.472 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001052824552 765185625 /nfs/dbraw/zinc/18/56/25/765185625.db2.gz NPYZACWCSDWWHH-CPUCHLNUSA-N 1 1 343.431 0.472 20 30 ECEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001015707819 765202042 /nfs/dbraw/zinc/20/20/42/765202042.db2.gz TYETZGVGPQYCHO-YESZJQIVSA-N 1 1 340.427 0.973 20 30 ECEDMO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052877584 765283504 /nfs/dbraw/zinc/28/35/04/765283504.db2.gz QFDYYAPPPBCHTM-CYBMUJFWSA-N 1 1 330.388 0.163 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)cn1 ZINC001052878946 765286191 /nfs/dbraw/zinc/28/61/91/765286191.db2.gz MHWDNTUIRVGKCV-CVEARBPZSA-N 1 1 328.416 0.911 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC000992050252 765291073 /nfs/dbraw/zinc/29/10/73/765291073.db2.gz RHADYPPPIKTZIK-ULQDDVLXSA-N 1 1 347.459 0.472 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC000992050252 765291078 /nfs/dbraw/zinc/29/10/78/765291078.db2.gz RHADYPPPIKTZIK-ULQDDVLXSA-N 1 1 347.459 0.472 20 30 ECEDMO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001052921876 765351203 /nfs/dbraw/zinc/35/12/03/765351203.db2.gz KZXHPWGSNZAFHQ-MGPQQGTHSA-N 1 1 328.420 0.488 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001015809393 765366635 /nfs/dbraw/zinc/36/66/35/765366635.db2.gz NJZZLZDSZVXJBZ-HOCLYGCPSA-N 1 1 327.384 0.391 20 30 ECEDMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001015809393 765366639 /nfs/dbraw/zinc/36/66/39/765366639.db2.gz NJZZLZDSZVXJBZ-HOCLYGCPSA-N 1 1 327.384 0.391 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccn(C)n3)CC2)C1=O ZINC001052931492 765372251 /nfs/dbraw/zinc/37/22/51/765372251.db2.gz WMKREAKSDBBNSR-GDBMZVCRSA-N 1 1 345.447 0.791 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001015812688 765372691 /nfs/dbraw/zinc/37/26/91/765372691.db2.gz ZVZGCZUFPZXCBK-AWEZNQCLSA-N 1 1 329.408 0.510 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nc3C)C2)nn1 ZINC001015812688 765372698 /nfs/dbraw/zinc/37/26/98/765372698.db2.gz ZVZGCZUFPZXCBK-AWEZNQCLSA-N 1 1 329.408 0.510 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001015820632 765383596 /nfs/dbraw/zinc/38/35/96/765383596.db2.gz JUDYJYVMBTVTAE-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)nn1 ZINC001015820632 765383603 /nfs/dbraw/zinc/38/36/03/765383603.db2.gz JUDYJYVMBTVTAE-DZGCQCFKSA-N 1 1 346.435 0.279 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(C)nc(C)n3)C2)C1=O ZINC001015838103 765414283 /nfs/dbraw/zinc/41/42/83/765414283.db2.gz HETAUTQMASXFIS-ZBFHGGJFSA-N 1 1 343.431 0.684 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C)nc(C)n3)C2)C1=O ZINC001015838103 765414286 /nfs/dbraw/zinc/41/42/86/765414286.db2.gz HETAUTQMASXFIS-ZBFHGGJFSA-N 1 1 343.431 0.684 20 30 ECEDMO C#Cc1cncc(C(=O)NC2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000992119433 765550774 /nfs/dbraw/zinc/55/07/74/765550774.db2.gz JSEVDCZGQJCDMF-CKDBGZEDSA-N 1 1 340.427 0.639 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)cc1 ZINC001077493763 765586065 /nfs/dbraw/zinc/58/60/65/765586065.db2.gz JSMPRNKPHCAIOY-QZTJIDSGSA-N 1 1 338.411 0.419 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2O)cc1 ZINC001077493763 765586070 /nfs/dbraw/zinc/58/60/70/765586070.db2.gz JSMPRNKPHCAIOY-QZTJIDSGSA-N 1 1 338.411 0.419 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001015968635 765637466 /nfs/dbraw/zinc/63/74/66/765637466.db2.gz FERITVIDUWKKSI-KGLIPLIRSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001015968635 765637470 /nfs/dbraw/zinc/63/74/70/765637470.db2.gz FERITVIDUWKKSI-KGLIPLIRSA-N 1 1 344.415 0.729 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)C1=O ZINC001016000272 765696909 /nfs/dbraw/zinc/69/69/09/765696909.db2.gz AXFQZEADOYGLSK-UONOGXRCSA-N 1 1 345.447 0.665 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)C1=O ZINC001016000272 765696916 /nfs/dbraw/zinc/69/69/16/765696916.db2.gz AXFQZEADOYGLSK-UONOGXRCSA-N 1 1 345.447 0.665 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCOC4)C3)C2)c1 ZINC001053208313 765765707 /nfs/dbraw/zinc/76/57/07/765765707.db2.gz HPYZKSQLYLOONT-CQSZACIVSA-N 1 1 344.415 0.840 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H](C)C(N)=O)CC3)c1 ZINC000992173560 765766804 /nfs/dbraw/zinc/76/68/04/765766804.db2.gz GGQNYJNENMPOHL-MRAWALMUSA-N 1 1 326.400 0.664 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@H](C)C(N)=O)CC3)c1 ZINC000992173560 765766808 /nfs/dbraw/zinc/76/68/08/765766808.db2.gz GGQNYJNENMPOHL-MRAWALMUSA-N 1 1 326.400 0.664 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)[C@H]2CCCO2)C1 ZINC000992182213 765800847 /nfs/dbraw/zinc/80/08/47/765800847.db2.gz HBTHOIJEBWSFQN-SSHXOBKSSA-N 1 1 333.432 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)[C@H]2CCCO2)C1 ZINC000992182213 765800855 /nfs/dbraw/zinc/80/08/55/765800855.db2.gz HBTHOIJEBWSFQN-SSHXOBKSSA-N 1 1 333.432 0.274 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001017719403 768321901 /nfs/dbraw/zinc/32/19/01/768321901.db2.gz YTFNQSKYJRWYDQ-GASCZTMLSA-N 1 1 346.431 0.755 20 30 ECEDMO O=C(C#CC1CC1)N1CCOC2(C[NH+](C[C@@H]3C[C@]34CCOC4)C2)C1 ZINC001053250740 765841635 /nfs/dbraw/zinc/84/16/35/765841635.db2.gz RRZMZJQUXOAUHL-WMZOPIPTSA-N 1 1 330.428 0.740 20 30 ECEDMO C#CCNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)CC)C[C@H](C)O2 ZINC001111534614 768329515 /nfs/dbraw/zinc/32/95/15/768329515.db2.gz BMSKYOVHRUHCLJ-HOTGVXAUSA-N 1 1 349.475 0.864 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001016166277 765861424 /nfs/dbraw/zinc/86/14/24/765861424.db2.gz XBGSPMVFTUANKD-KBPBESRZSA-N 1 1 330.388 0.378 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)C1=O ZINC001016166277 765861430 /nfs/dbraw/zinc/86/14/30/765861430.db2.gz XBGSPMVFTUANKD-KBPBESRZSA-N 1 1 330.388 0.378 20 30 ECEDMO C=C(C)CCN1CC2(C1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263263 765863924 /nfs/dbraw/zinc/86/39/24/765863924.db2.gz JSWIXAHKHUZBGH-IAGOWNOFSA-N 1 1 349.475 0.729 20 30 ECEDMO C[N@@H+](CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1)CC(C)(C)C ZINC001106108903 765866697 /nfs/dbraw/zinc/86/66/97/765866697.db2.gz ROBNTKULJJFWNJ-ZDUSSCGKSA-N 1 1 334.424 0.215 20 30 ECEDMO CC1(C)CC[N@@H+](CC(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)C1 ZINC001106109381 765876430 /nfs/dbraw/zinc/87/64/30/765876430.db2.gz XRZBHHFLFAESLD-HNNXBMFYSA-N 1 1 331.420 0.574 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cc3csc(C)n3)C2)C1=O ZINC001016197243 765894315 /nfs/dbraw/zinc/89/43/15/765894315.db2.gz HWAKAWSEXKUCED-HIFRSBDPSA-N 1 1 348.472 0.971 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cc3csc(C)n3)C2)C1=O ZINC001016197243 765894319 /nfs/dbraw/zinc/89/43/19/765894319.db2.gz HWAKAWSEXKUCED-HIFRSBDPSA-N 1 1 348.472 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC000992209629 765912411 /nfs/dbraw/zinc/91/24/11/765912411.db2.gz XYOBQWIVLUILDV-NRXISQOPSA-N 1 1 343.431 0.061 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC000992209629 765912414 /nfs/dbraw/zinc/91/24/14/765912414.db2.gz XYOBQWIVLUILDV-NRXISQOPSA-N 1 1 343.431 0.061 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC000992242632 766028309 /nfs/dbraw/zinc/02/83/09/766028309.db2.gz RTVQSPWEIWDNRX-YYAJDYIMSA-N 1 1 347.459 0.969 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(C)nn3c2C)[C@@H](O)C1 ZINC001083683738 766052278 /nfs/dbraw/zinc/05/22/78/766052278.db2.gz MBFDMKWYXGPDKU-CABCVRRESA-N 1 1 327.388 0.144 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001017750065 768346341 /nfs/dbraw/zinc/34/63/41/768346341.db2.gz JOUXKSLPQDHDRC-BBWFWOEESA-N 1 1 347.459 0.804 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C2CCN(CC(F)F)CC2)[C@@H](O)C1 ZINC001083730331 768347917 /nfs/dbraw/zinc/34/79/17/768347917.db2.gz WIOCVUKKOSFHIW-KGLIPLIRSA-N 1 1 329.391 0.148 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3n[nH]c(C)n3)C2)CC1 ZINC001016336478 766142489 /nfs/dbraw/zinc/14/24/89/766142489.db2.gz LVPWJCIKVHCBGJ-OAHLLOKOSA-N 1 1 330.436 0.149 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001016406085 766242524 /nfs/dbraw/zinc/24/25/24/766242524.db2.gz FCPUXRNHUTXOOS-LRVUVFPRSA-N 1 1 343.431 0.947 20 30 ECEDMO CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001016406962 766243726 /nfs/dbraw/zinc/24/37/26/766243726.db2.gz TVKARSOJHSTTRQ-PIMMBPRGSA-N 1 1 329.404 0.700 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)CN1C(=O)CCC1=O)CCO2 ZINC001053528130 766282889 /nfs/dbraw/zinc/28/28/89/766282889.db2.gz FZKGSXLUTSRGDE-UHFFFAOYSA-N 1 1 335.404 0.015 20 30 ECEDMO C=C1CCC(C(=O)NCC2(O)CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001045768598 766345260 /nfs/dbraw/zinc/34/52/60/766345260.db2.gz JZOOHSLUHYPZME-UHFFFAOYSA-N 1 1 337.464 0.763 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CCC[C@H]12 ZINC000992351150 766350818 /nfs/dbraw/zinc/35/08/18/766350818.db2.gz MBPHTFFUZDFKNO-KBXCAEBGSA-N 1 1 344.415 0.875 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3c(C)cc(C)nc3=O)CCC[C@@H]12 ZINC000992351818 766353148 /nfs/dbraw/zinc/35/31/48/766353148.db2.gz NPLTVSGATSNJHF-APWZRJJASA-N 1 1 342.443 0.997 20 30 ECEDMO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001045776944 766356533 /nfs/dbraw/zinc/35/65/33/766356533.db2.gz AIPXQFRFUGMRRV-INIZCTEOSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cn3c(C)csc3n2)[C@@H](O)C1 ZINC001083691562 766371773 /nfs/dbraw/zinc/37/17/73/766371773.db2.gz VVLJSVZLFNIZDX-KGLIPLIRSA-N 1 1 334.445 0.984 20 30 ECEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)c1 ZINC001077554454 766391846 /nfs/dbraw/zinc/39/18/46/766391846.db2.gz RZIDVBDSQCLEHN-HZPDHXFCSA-N 1 1 326.356 0.450 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)c1 ZINC001077554454 766391857 /nfs/dbraw/zinc/39/18/57/766391857.db2.gz RZIDVBDSQCLEHN-HZPDHXFCSA-N 1 1 326.356 0.450 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)O2 ZINC001053599499 766406778 /nfs/dbraw/zinc/40/67/78/766406778.db2.gz VESHROFKAUSBHA-QLFBSQMISA-N 1 1 333.432 0.274 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1COCCN1CC)O2 ZINC001053620673 766455360 /nfs/dbraw/zinc/45/53/60/766455360.db2.gz SGWIQVKFABRFOK-HOTGVXAUSA-N 1 1 335.448 0.080 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCN(C(C)=O)C1)O2 ZINC001053625826 766466349 /nfs/dbraw/zinc/46/63/49/766466349.db2.gz GEGCSASLLUFPLS-SJORKVTESA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3[nH]c(=O)[nH]c(=O)c3OC)CCC[C@@H]12 ZINC000992397140 766476317 /nfs/dbraw/zinc/47/63/17/766476317.db2.gz NPPFICKQYZSTCN-QLJPJBMISA-N 1 1 332.360 0.256 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CN=NC1=O)C2 ZINC001045931777 766501281 /nfs/dbraw/zinc/50/12/81/766501281.db2.gz LQHWKEUHVKARAS-KRWDZBQOSA-N 1 1 331.420 0.712 20 30 ECEDMO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649675 766512521 /nfs/dbraw/zinc/51/25/21/766512521.db2.gz SMHYWVRGXFNJDM-JKSUJKDBSA-N 1 1 335.448 0.078 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)O2 ZINC001053663321 766535583 /nfs/dbraw/zinc/53/55/83/766535583.db2.gz MPYFHNXHORUUPO-QLFBSQMISA-N 1 1 333.432 0.261 20 30 ECEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@H]12 ZINC000992427568 766547704 /nfs/dbraw/zinc/54/77/04/766547704.db2.gz LOELNRKKHBIJTC-GUYCJALGSA-N 1 1 334.420 0.618 20 30 ECEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cc(=O)n4[nH]cnc4n3)CCC[C@H]12 ZINC000992427564 766547759 /nfs/dbraw/zinc/54/77/59/766547759.db2.gz KUUHQDPPVLPWGV-SUMWQHHRSA-N 1 1 340.387 0.168 20 30 ECEDMO Cn1cc(C[NH+]2CCC3(C[C@H]3NC(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC001016588839 766548359 /nfs/dbraw/zinc/54/83/59/766548359.db2.gz RQJOORPMDXTAAW-OAHLLOKOSA-N 1 1 339.403 0.799 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)cn1 ZINC001045981132 766551582 /nfs/dbraw/zinc/55/15/82/766551582.db2.gz PTXQLDOWCKOKMQ-IBGZPJMESA-N 1 1 340.427 0.866 20 30 ECEDMO COCC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC001045989300 766564548 /nfs/dbraw/zinc/56/45/48/766564548.db2.gz HILJORYAOYWRAD-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H](n3cc(CNCC)nn3)C2)CC1 ZINC001089593662 766575359 /nfs/dbraw/zinc/57/53/59/766575359.db2.gz PXEIKBSIQGJWBG-KRWDZBQOSA-N 1 1 344.463 0.506 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ccnn3C(C)C)C2)C1=O ZINC001031698653 766578287 /nfs/dbraw/zinc/57/82/87/766578287.db2.gz QNUOZWPEVDBTCV-INIZCTEOSA-N 1 1 345.447 0.913 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1OC ZINC001212257431 766589327 /nfs/dbraw/zinc/58/93/27/766589327.db2.gz BTASBKZXIFZCDT-DJIMGWMZSA-N 1 1 331.416 0.744 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1OC ZINC001212257431 766589332 /nfs/dbraw/zinc/58/93/32/766589332.db2.gz BTASBKZXIFZCDT-DJIMGWMZSA-N 1 1 331.416 0.744 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC3(C[NH+](C[C@H](C)O)C3)O2)nc1 ZINC001053691008 766598087 /nfs/dbraw/zinc/59/80/87/766598087.db2.gz QXCFKYARURAWRG-DZGCQCFKSA-N 1 1 329.400 0.407 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCN(C(C)=O)C1)O2 ZINC001053691281 766599136 /nfs/dbraw/zinc/59/91/36/766599136.db2.gz YWDIGTUHBIIHPZ-JKSUJKDBSA-N 1 1 333.432 0.228 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC001046001017 766601077 /nfs/dbraw/zinc/60/10/77/766601077.db2.gz CETSGDQBNPFRJA-KRWDZBQOSA-N 1 1 348.491 0.794 20 30 ECEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1OC ZINC001212258181 766602720 /nfs/dbraw/zinc/60/27/20/766602720.db2.gz OJMWNXIQZVWXMN-DJIMGWMZSA-N 1 1 338.448 0.657 20 30 ECEDMO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)O2 ZINC001053694331 766603821 /nfs/dbraw/zinc/60/38/21/766603821.db2.gz POCNYMNFYDWRHR-CABCVRRESA-N 1 1 333.432 0.370 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1OC ZINC001212258581 766610376 /nfs/dbraw/zinc/61/03/76/766610376.db2.gz WSFQUXKHXGFXEF-USXIJHARSA-N 1 1 331.416 0.744 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1OC ZINC001212258581 766610379 /nfs/dbraw/zinc/61/03/79/766610379.db2.gz WSFQUXKHXGFXEF-USXIJHARSA-N 1 1 331.416 0.744 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 ZINC001046006331 766615082 /nfs/dbraw/zinc/61/50/82/766615082.db2.gz JLKDKNYNYJYHRA-CABCVRRESA-N 1 1 343.855 0.373 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 ZINC001046006331 766615086 /nfs/dbraw/zinc/61/50/86/766615086.db2.gz JLKDKNYNYJYHRA-CABCVRRESA-N 1 1 343.855 0.373 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)O2 ZINC001053700271 766618125 /nfs/dbraw/zinc/61/81/25/766618125.db2.gz PVUURBXMPRFBCP-HOTGVXAUSA-N 1 1 335.448 0.080 20 30 ECEDMO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700271 766618130 /nfs/dbraw/zinc/61/81/30/766618130.db2.gz PVUURBXMPRFBCP-HOTGVXAUSA-N 1 1 335.448 0.080 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3n[nH]c(C)c3C)CC2)C1 ZINC001046010862 766634128 /nfs/dbraw/zinc/63/41/28/766634128.db2.gz VYGWPNMDXNLDHQ-INIZCTEOSA-N 1 1 329.448 0.882 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 ZINC001046012684 766639550 /nfs/dbraw/zinc/63/95/50/766639550.db2.gz BECWBSALECUSAY-SJORKVTESA-N 1 1 336.480 0.112 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc(C)on3)CC2)C1 ZINC001046014176 766645641 /nfs/dbraw/zinc/64/56/41/766645641.db2.gz QWSVAIHUIXWIHU-QGZVFWFLSA-N 1 1 330.432 0.767 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001046017113 766653440 /nfs/dbraw/zinc/65/34/40/766653440.db2.gz MGEZINAPEFBDRZ-OAHLLOKOSA-N 1 1 337.855 0.923 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001046017113 766653444 /nfs/dbraw/zinc/65/34/44/766653444.db2.gz MGEZINAPEFBDRZ-OAHLLOKOSA-N 1 1 337.855 0.923 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 ZINC000992474387 766661282 /nfs/dbraw/zinc/66/12/82/766661282.db2.gz LVLZUZXDPPTPSF-CXAGYDPISA-N 1 1 334.420 0.618 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc(C)o3)CC2)C1 ZINC001046025521 766680186 /nfs/dbraw/zinc/68/01/86/766680186.db2.gz HGXGUXIQOXOQLU-OAHLLOKOSA-N 1 1 333.436 0.715 20 30 ECEDMO Cn1cncc1C[N@H+]1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046026030 766681627 /nfs/dbraw/zinc/68/16/27/766681627.db2.gz BEHHUPRXCVICNW-QGZVFWFLSA-N 1 1 341.459 0.552 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nn(C)cc3C)CC2)C1 ZINC001046026632 766684081 /nfs/dbraw/zinc/68/40/81/766684081.db2.gz CZVBJQACNWCEGV-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)COc2ccsc2)C1 ZINC000994750108 766693598 /nfs/dbraw/zinc/69/35/98/766693598.db2.gz GGUDUMHPFALZRA-HNNXBMFYSA-N 1 1 347.440 0.552 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)COc2ccsc2)C1 ZINC000994750108 766693607 /nfs/dbraw/zinc/69/36/07/766693607.db2.gz GGUDUMHPFALZRA-HNNXBMFYSA-N 1 1 347.440 0.552 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](OC)C2CCCC2)C1 ZINC000994751135 766696858 /nfs/dbraw/zinc/69/68/58/766696858.db2.gz NMWFDWSBQPELGL-DLBZAZTESA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](OC)C2CCCC2)C1 ZINC000994751135 766696865 /nfs/dbraw/zinc/69/68/65/766696865.db2.gz NMWFDWSBQPELGL-DLBZAZTESA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncc4nc[nH]c43)CC2)C1 ZINC001046032071 766704553 /nfs/dbraw/zinc/70/45/53/766704553.db2.gz ZNTYNBTYVTZBHQ-AWEZNQCLSA-N 1 1 338.415 0.423 20 30 ECEDMO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]cc4ncnc3-4)CC2)C1 ZINC001046032071 766704561 /nfs/dbraw/zinc/70/45/61/766704561.db2.gz ZNTYNBTYVTZBHQ-AWEZNQCLSA-N 1 1 338.415 0.423 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]cc4ncnc3-4)CC2)C1 ZINC001046032071 766704565 /nfs/dbraw/zinc/70/45/65/766704565.db2.gz ZNTYNBTYVTZBHQ-AWEZNQCLSA-N 1 1 338.415 0.423 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3cnn(C)c3C)CC2)C1 ZINC001046032513 766706026 /nfs/dbraw/zinc/70/60/26/766706026.db2.gz DXUPXOJNYQCWQV-GOSISDBHSA-N 1 1 343.475 0.513 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C(F)(F)F)CC2)C1 ZINC000994754592 766707004 /nfs/dbraw/zinc/70/70/04/766707004.db2.gz MTRPDZGGRVPGKA-LBPRGKRZSA-N 1 1 343.349 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(C(F)(F)F)CC2)C1 ZINC000994754592 766707013 /nfs/dbraw/zinc/70/70/13/766707013.db2.gz MTRPDZGGRVPGKA-LBPRGKRZSA-N 1 1 343.349 0.754 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3ccnn3C)CC2)C1 ZINC001046033533 766709948 /nfs/dbraw/zinc/70/99/48/766709948.db2.gz GYHXYSHNBGKVJT-QGZVFWFLSA-N 1 1 331.464 0.757 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC001046033565 766710100 /nfs/dbraw/zinc/71/01/00/766710100.db2.gz HZSXBESOUGWQAM-IAGOWNOFSA-N 1 1 348.491 0.649 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046034242 766712459 /nfs/dbraw/zinc/71/24/59/766712459.db2.gz QENKXAGTUKKJER-ZDUSSCGKSA-N 1 1 342.871 0.469 20 30 ECEDMO C=C(Cl)C(C)(C)C(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046034242 766712464 /nfs/dbraw/zinc/71/24/64/766712464.db2.gz QENKXAGTUKKJER-ZDUSSCGKSA-N 1 1 342.871 0.469 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnn3CCC)CC2)C1 ZINC001046034537 766714874 /nfs/dbraw/zinc/71/48/74/766714874.db2.gz UMVZPGZZCJUCNI-MRXNPFEDSA-N 1 1 329.448 0.758 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccnc4ccnn43)CC2)C1 ZINC001046035107 766717521 /nfs/dbraw/zinc/71/75/21/766717521.db2.gz DNGYMNLIAPBDGE-OAHLLOKOSA-N 1 1 340.431 0.747 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 ZINC001046035135 766717578 /nfs/dbraw/zinc/71/75/78/766717578.db2.gz FMZQWFJSZBLSNY-QZTJIDSGSA-N 1 1 347.507 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC23CCOCC3)C1 ZINC000994755979 766721617 /nfs/dbraw/zinc/72/16/17/766721617.db2.gz STODSWQIHXOKSQ-CVEARBPZSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC23CCOCC3)C1 ZINC000994755979 766721623 /nfs/dbraw/zinc/72/16/23/766721623.db2.gz STODSWQIHXOKSQ-CVEARBPZSA-N 1 1 345.443 0.228 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC001046036030 766724654 /nfs/dbraw/zinc/72/46/54/766724654.db2.gz ZAHCHFXMXCNVOF-SJORKVTESA-N 1 1 346.475 0.145 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnn3CCOC)CC2)C1 ZINC001046038857 766740711 /nfs/dbraw/zinc/74/07/11/766740711.db2.gz LCYIAKOFTSMYFD-MRXNPFEDSA-N 1 1 347.463 0.548 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC001046042836 766757920 /nfs/dbraw/zinc/75/79/20/766757920.db2.gz NVESXULGEQYVHM-AWEZNQCLSA-N 1 1 329.448 0.917 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cn4cccnc4n3)CC2)C1 ZINC001046043117 766759008 /nfs/dbraw/zinc/75/90/08/766759008.db2.gz WCAFOUALXSFJIG-HNNXBMFYSA-N 1 1 340.431 0.747 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001046043778 766763690 /nfs/dbraw/zinc/76/36/90/766763690.db2.gz DCVOOPTUSXSXLO-CQSZACIVSA-N 1 1 346.431 0.787 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001046043777 766763878 /nfs/dbraw/zinc/76/38/78/766763878.db2.gz DCVOOPTUSXSXLO-AWEZNQCLSA-N 1 1 346.431 0.787 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)C1 ZINC001046044615 766767319 /nfs/dbraw/zinc/76/73/19/766767319.db2.gz MSYUZTWCEYXAGA-OAHLLOKOSA-N 1 1 345.447 0.684 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1 ZINC001046046100 766773357 /nfs/dbraw/zinc/77/33/57/766773357.db2.gz WBNHJEWWVDSYKW-XLAORIBOSA-N 1 1 331.460 0.653 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](OC)c3cnn(C)c3)CC2)C1 ZINC001046047217 766777927 /nfs/dbraw/zinc/77/79/27/766777927.db2.gz MVPKIKQTBCRYAM-DLBZAZTESA-N 1 1 347.463 0.512 20 30 ECEDMO CC[C@@H](C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C#N)c[nH]1)CO2)OC ZINC001053766439 766785265 /nfs/dbraw/zinc/78/52/65/766785265.db2.gz NJHZXYAAPRDVRL-KBPBESRZSA-N 1 1 332.404 0.884 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)n3C)CC2)C1 ZINC001046051314 766790856 /nfs/dbraw/zinc/79/08/56/766790856.db2.gz FDVFTELLEMYHSR-AWEZNQCLSA-N 1 1 333.436 0.534 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046051769 766791740 /nfs/dbraw/zinc/79/17/40/766791740.db2.gz NUJOBHTXCSIGAM-LSDHHAIUSA-N 1 1 334.464 0.306 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cnnn3C)C2)CC1 ZINC001046052387 766794830 /nfs/dbraw/zinc/79/48/30/766794830.db2.gz XJDSJUUZHJJMLV-OAHLLOKOSA-N 1 1 346.479 0.746 20 30 ECEDMO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3cnnn3C)C2)CC1 ZINC001046052387 766794838 /nfs/dbraw/zinc/79/48/38/766794838.db2.gz XJDSJUUZHJJMLV-OAHLLOKOSA-N 1 1 346.479 0.746 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001046053490 766797812 /nfs/dbraw/zinc/79/78/12/766797812.db2.gz CCHITWTYLJSZNY-CQSZACIVSA-N 1 1 333.440 0.008 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnc(C)n3C)CC2)C1 ZINC001046054399 766800984 /nfs/dbraw/zinc/80/09/84/766800984.db2.gz MKAMHNRUOOALGP-MRXNPFEDSA-N 1 1 329.448 0.584 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 ZINC001046060629 766827649 /nfs/dbraw/zinc/82/76/49/766827649.db2.gz FKMBWHAAOZLKKB-APWZRJJASA-N 1 1 348.491 0.840 20 30 ECEDMO Cn1nncc1C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001042000550 782580694 /nfs/dbraw/zinc/58/06/94/782580694.db2.gz NPTIVWRIKPEQNJ-BBRMVZONSA-N 1 1 339.403 0.751 20 30 ECEDMO Cn1nncc1C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001042000550 782580699 /nfs/dbraw/zinc/58/06/99/782580699.db2.gz NPTIVWRIKPEQNJ-BBRMVZONSA-N 1 1 339.403 0.751 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ccc(C)n3)CC2)C1 ZINC001046062420 766834122 /nfs/dbraw/zinc/83/41/22/766834122.db2.gz GVKCYFGDGVFIOU-KRWDZBQOSA-N 1 1 329.448 0.433 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Oc3cccnc3)CC2)C1 ZINC001046062533 766835431 /nfs/dbraw/zinc/83/54/31/766835431.db2.gz WBVIPEOIVUAPMA-IRXDYDNUSA-N 1 1 342.443 0.701 20 30 ECEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C(N)=O)n3)CCC[C@@H]12 ZINC000992550041 766841714 /nfs/dbraw/zinc/84/17/14/766841714.db2.gz PENRCSRKSKTJGX-QAPCUYQASA-N 1 1 326.400 0.931 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H](C)n3ccnc3)CC2)C1 ZINC001046065540 766847900 /nfs/dbraw/zinc/84/79/00/766847900.db2.gz APGRHVDYVHMWQB-IRXDYDNUSA-N 1 1 329.448 0.686 20 30 ECEDMO C=CCn1cc(C(=O)N2CCN([C@@H]3CC[N@H+](CC#CC)C3)CC2)nn1 ZINC001046068117 766861038 /nfs/dbraw/zinc/86/10/38/766861038.db2.gz DEFURLGLUBCRKW-MRXNPFEDSA-N 1 1 342.447 0.320 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)CC2)C1 ZINC001046068741 766864944 /nfs/dbraw/zinc/86/49/44/766864944.db2.gz RWNIUCXJERSVFZ-RDJZCZTQSA-N 1 1 331.464 0.993 20 30 ECEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068741 766864955 /nfs/dbraw/zinc/86/49/55/766864955.db2.gz RWNIUCXJERSVFZ-RDJZCZTQSA-N 1 1 331.464 0.993 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)C1 ZINC001046068741 766864964 /nfs/dbraw/zinc/86/49/64/766864964.db2.gz RWNIUCXJERSVFZ-RDJZCZTQSA-N 1 1 331.464 0.993 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046069167 766866327 /nfs/dbraw/zinc/86/63/27/766866327.db2.gz CMFUGSSFGJGCKQ-DLBZAZTESA-N 1 1 348.491 0.840 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046069212 766867962 /nfs/dbraw/zinc/86/79/62/766867962.db2.gz CMFUGSSFGJGCKQ-IRXDYDNUSA-N 1 1 348.491 0.840 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nn(C)c(C)c3Cl)CC2)C1 ZINC001046069997 766871690 /nfs/dbraw/zinc/87/16/90/766871690.db2.gz LBRJBTYNFLDBKG-CQSZACIVSA-N 1 1 349.866 0.847 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C)nc(C)n3)CC2)C1 ZINC001046070334 766873163 /nfs/dbraw/zinc/87/31/63/766873163.db2.gz SCZGMDOBFAJNOY-INIZCTEOSA-N 1 1 327.432 0.559 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(CCOC)c1C)CO2 ZINC001053800790 766883370 /nfs/dbraw/zinc/88/33/70/766883370.db2.gz WYXYHIMHNHICDK-OAHLLOKOSA-N 1 1 348.447 0.987 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc4ncccn4n3)CC2)C1 ZINC001046072814 766884138 /nfs/dbraw/zinc/88/41/38/766884138.db2.gz NYRBEOUWSUYINS-HNNXBMFYSA-N 1 1 338.415 0.195 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC001046077324 766907551 /nfs/dbraw/zinc/90/75/51/766907551.db2.gz MLGXYLPGMYPMPO-IEBWSBKVSA-N 1 1 346.475 0.097 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1nnn(C(C)(C)C)n1)CO2 ZINC001053814650 766911570 /nfs/dbraw/zinc/91/15/70/766911570.db2.gz SNCBHGIIAQXCEG-ZDUSSCGKSA-N 1 1 348.451 0.506 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nn(C)c3F)CC2)C1 ZINC001046080162 766915579 /nfs/dbraw/zinc/91/55/79/766915579.db2.gz AWDMZFVERHEQJT-CQSZACIVSA-N 1 1 335.427 0.886 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)C1 ZINC001046081902 766920955 /nfs/dbraw/zinc/92/09/55/766920955.db2.gz LQTSHGLGFXLROG-QGZVFWFLSA-N 1 1 343.475 0.811 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c(C)nn(C)c3F)CC2)C1 ZINC001046082669 766921854 /nfs/dbraw/zinc/92/18/54/766921854.db2.gz ZJAOYOZBWXRRKV-OAHLLOKOSA-N 1 1 347.438 0.723 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC001046082986 766922210 /nfs/dbraw/zinc/92/22/10/766922210.db2.gz ZKNOGFWUYAMYSO-QGZVFWFLSA-N 1 1 344.459 0.643 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncnc3CC)CC2)C1 ZINC001046084302 766924793 /nfs/dbraw/zinc/92/47/93/766924793.db2.gz PLNCKMQWQJSFOS-OAHLLOKOSA-N 1 1 327.432 0.504 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCn3cc(Cl)cn3)CC2)C1 ZINC001046086174 766928063 /nfs/dbraw/zinc/92/80/63/766928063.db2.gz MOUALIXMNKYPHE-MRXNPFEDSA-N 1 1 349.866 0.778 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)c3cnn(C)c3)CC2)C1 ZINC001046086450 766928624 /nfs/dbraw/zinc/92/86/24/766928624.db2.gz JCKKVTLIKYJJJF-NVXWUHKLSA-N 1 1 329.448 0.375 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001046123586 766953740 /nfs/dbraw/zinc/95/37/40/766953740.db2.gz FHXQUPIJGJQBDY-QAPCUYQASA-N 1 1 344.415 0.301 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cc[n+]([O-])cc3)C2)C1=O ZINC001046123586 766953746 /nfs/dbraw/zinc/95/37/46/766953746.db2.gz FHXQUPIJGJQBDY-QAPCUYQASA-N 1 1 344.415 0.301 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(CC)n2C)C1 ZINC001031741290 766989575 /nfs/dbraw/zinc/98/95/75/766989575.db2.gz VNFMARFYHAEUGM-HNNXBMFYSA-N 1 1 344.463 0.023 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nnc(CC)n2C)C1 ZINC001031741290 766989581 /nfs/dbraw/zinc/98/95/81/766989581.db2.gz VNFMARFYHAEUGM-HNNXBMFYSA-N 1 1 344.463 0.023 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)CCNC(=O)C1)CO2 ZINC001053843311 766996083 /nfs/dbraw/zinc/99/60/83/766996083.db2.gz JOLPKJPZKNOYST-YOEHRIQHSA-N 1 1 335.448 0.828 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)c1 ZINC001083765074 766999704 /nfs/dbraw/zinc/99/97/04/766999704.db2.gz MBARNSKHKSGWGO-MSOLQXFVSA-N 1 1 343.427 0.655 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nc(CC)no2)C1 ZINC001031742950 767005492 /nfs/dbraw/zinc/00/54/92/767005492.db2.gz YHLNLPSFSUNPRT-ZFWWWQNUSA-N 1 1 345.447 0.839 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nc(CC)no2)C1 ZINC001031742950 767005503 /nfs/dbraw/zinc/00/55/03/767005503.db2.gz YHLNLPSFSUNPRT-ZFWWWQNUSA-N 1 1 345.447 0.839 20 30 ECEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@H](OC)C1 ZINC001212271566 767005636 /nfs/dbraw/zinc/00/56/36/767005636.db2.gz AZOQGQHTSVPZLL-HZPDHXFCSA-N 1 1 333.432 0.938 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@H](OC)C1 ZINC001212272107 767007252 /nfs/dbraw/zinc/00/72/52/767007252.db2.gz JCFSQIRFNYMXOI-HZPDHXFCSA-N 1 1 349.431 0.175 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3cncn3C1)CO2 ZINC001053852716 767024545 /nfs/dbraw/zinc/02/45/45/767024545.db2.gz PDLJMVBDMRMFHC-LSDHHAIUSA-N 1 1 330.432 0.981 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046196561 767046502 /nfs/dbraw/zinc/04/65/02/767046502.db2.gz DTGVZKWFQIDBQL-CZUORRHYSA-N 1 1 332.429 0.979 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046196561 767046511 /nfs/dbraw/zinc/04/65/11/767046511.db2.gz DTGVZKWFQIDBQL-CZUORRHYSA-N 1 1 332.429 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001046207128 767066935 /nfs/dbraw/zinc/06/69/35/767066935.db2.gz LFGHVQKJWYGJPY-QAPCUYQASA-N 1 1 345.447 0.884 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cnn(CC)c3)C2)C1=O ZINC001046207128 767066948 /nfs/dbraw/zinc/06/69/48/767066948.db2.gz LFGHVQKJWYGJPY-QAPCUYQASA-N 1 1 345.447 0.884 20 30 ECEDMO CN1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219936 767087441 /nfs/dbraw/zinc/08/74/41/767087441.db2.gz QYGOJLKMTHRODG-HKUYNNGSSA-N 1 1 342.443 0.969 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC3(C[C@H]3NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001016883462 767093502 /nfs/dbraw/zinc/09/35/02/767093502.db2.gz CEPKAIMUNBLCIZ-CHWSQXEVSA-N 1 1 344.419 0.176 20 30 ECEDMO C=CCN1CC[C@@H]([NH+]2CCC3(C[C@H]3NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001016883462 767093513 /nfs/dbraw/zinc/09/35/13/767093513.db2.gz CEPKAIMUNBLCIZ-CHWSQXEVSA-N 1 1 344.419 0.176 20 30 ECEDMO Cn1ccc(C[N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)cc1=O ZINC001046251914 767110634 /nfs/dbraw/zinc/11/06/34/767110634.db2.gz XGRHQWUYAVBOJD-GOSISDBHSA-N 1 1 339.399 0.979 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cc(OC)no3)C2)C1=O ZINC001046254079 767112051 /nfs/dbraw/zinc/11/20/51/767112051.db2.gz HZVHKONQKPAUNY-SJKOYZFVSA-N 1 1 348.403 0.664 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cc(OC)no3)C2)C1=O ZINC001046254079 767112053 /nfs/dbraw/zinc/11/20/53/767112053.db2.gz HZVHKONQKPAUNY-SJKOYZFVSA-N 1 1 348.403 0.664 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046289251 767129784 /nfs/dbraw/zinc/12/97/84/767129784.db2.gz SYQZWYCCJLUFPL-IUODEOHRSA-N 1 1 334.401 0.809 20 30 ECEDMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046289251 767129785 /nfs/dbraw/zinc/12/97/85/767129785.db2.gz SYQZWYCCJLUFPL-IUODEOHRSA-N 1 1 334.401 0.809 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)[C@H](OC)C1 ZINC001212282352 767129956 /nfs/dbraw/zinc/12/99/56/767129956.db2.gz QEHSCZAYLSTHKP-BZUAXINKSA-N 1 1 348.447 0.848 20 30 ECEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC001089730794 767133934 /nfs/dbraw/zinc/13/39/34/767133934.db2.gz DJXOQEGLRYAIRO-CYBMUJFWSA-N 1 1 343.431 0.819 20 30 ECEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC001089730794 767133937 /nfs/dbraw/zinc/13/39/37/767133937.db2.gz DJXOQEGLRYAIRO-CYBMUJFWSA-N 1 1 343.431 0.819 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCCC2 ZINC001127604742 767142079 /nfs/dbraw/zinc/14/20/79/767142079.db2.gz LUVVTKTXADBBDX-KGLIPLIRSA-N 1 1 333.436 0.801 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001046320848 767145993 /nfs/dbraw/zinc/14/59/93/767145993.db2.gz LDNGMWBJMTYOGX-CXAGYDPISA-N 1 1 329.404 0.367 20 30 ECEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CCOCC(F)F)[C@H](OC)C1 ZINC001212291283 767167455 /nfs/dbraw/zinc/16/74/55/767167455.db2.gz GAIHNBXXJNKEJC-CHWSQXEVSA-N 1 1 336.379 0.676 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046393498 767192163 /nfs/dbraw/zinc/19/21/63/767192163.db2.gz ZMEZNFLNESHBMV-XOKHGSTOSA-N 1 1 343.431 0.981 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nc3)C2)C1 ZINC001046393498 767192165 /nfs/dbraw/zinc/19/21/65/767192165.db2.gz ZMEZNFLNESHBMV-XOKHGSTOSA-N 1 1 343.431 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cnc[nH]c3=O)C2)C1=O ZINC001046408075 767202298 /nfs/dbraw/zinc/20/22/98/767202298.db2.gz RTYYPOOLSQBWTI-GUYCJALGSA-N 1 1 345.403 0.163 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046425632 767212208 /nfs/dbraw/zinc/21/22/08/767212208.db2.gz KAMSAHMBNWDNLT-AWEZNQCLSA-N 1 1 325.390 0.145 20 30 ECEDMO C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCOCC1 ZINC001089796384 767221390 /nfs/dbraw/zinc/22/13/90/767221390.db2.gz GZFFWHZPHFLBRJ-MHORFTMASA-N 1 1 331.460 0.511 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3cnn(CCF)c3)C2)C1=O ZINC001031800376 767227238 /nfs/dbraw/zinc/22/72/38/767227238.db2.gz NCJFYIXASULDSQ-HNNXBMFYSA-N 1 1 349.410 0.301 20 30 ECEDMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C#CC1CC1 ZINC001089805126 767233065 /nfs/dbraw/zinc/23/30/65/767233065.db2.gz BDTHZDRFGGIAEM-HZMVEIRTSA-N 1 1 329.444 0.657 20 30 ECEDMO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cn(CCOC)nn1 ZINC001089809408 767240640 /nfs/dbraw/zinc/24/06/40/767240640.db2.gz QJONSOCQQSKZPU-HWMZRRJGSA-N 1 1 343.431 0.340 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3c[nH]nc3CC)C2)C1=O ZINC001031806466 767249296 /nfs/dbraw/zinc/24/92/96/767249296.db2.gz YSCBLWBQHJAUAX-HNNXBMFYSA-N 1 1 331.420 0.421 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001046535803 767286439 /nfs/dbraw/zinc/28/64/39/767286439.db2.gz NIZDDQDFKHANNX-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046538130 767288923 /nfs/dbraw/zinc/28/89/23/767288923.db2.gz GEQQVRFAYZZKSE-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046538130 767288925 /nfs/dbraw/zinc/28/89/25/767288925.db2.gz GEQQVRFAYZZKSE-KSSFIOAISA-N 1 1 344.390 0.914 20 30 ECEDMO CN1C[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)NC1=O ZINC001046540952 767292111 /nfs/dbraw/zinc/29/21/11/767292111.db2.gz BKVZQTAUAKATPN-MAUKXSAKSA-N 1 1 341.415 0.662 20 30 ECEDMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cccc(C#N)c3)C2)n1 ZINC001046544134 767294924 /nfs/dbraw/zinc/29/49/24/767294924.db2.gz NRALYLSBSHMDQW-INIZCTEOSA-N 1 1 325.376 0.476 20 30 ECEDMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC001046544134 767294925 /nfs/dbraw/zinc/29/49/25/767294925.db2.gz NRALYLSBSHMDQW-INIZCTEOSA-N 1 1 325.376 0.476 20 30 ECEDMO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001046544966 767295775 /nfs/dbraw/zinc/29/57/75/767295775.db2.gz VVYLEHPIXGTQIM-MRXNPFEDSA-N 1 1 343.366 0.615 20 30 ECEDMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001046544966 767295777 /nfs/dbraw/zinc/29/57/77/767295777.db2.gz VVYLEHPIXGTQIM-MRXNPFEDSA-N 1 1 343.366 0.615 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001046556077 767301023 /nfs/dbraw/zinc/30/10/23/767301023.db2.gz CTLHSMANMCEDPA-CGSPGFDNSA-N 1 1 333.432 0.246 20 30 ECEDMO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cnc[nH]c2=O)C1 ZINC001089823004 767339539 /nfs/dbraw/zinc/33/95/39/767339539.db2.gz BSHKENFYOWUMQY-TUUVXOQKSA-N 1 1 326.400 0.988 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)c1 ZINC001046605753 767356589 /nfs/dbraw/zinc/35/65/89/767356589.db2.gz XILSLDGTOHXJKF-KSSFIOAISA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)c1 ZINC001046605753 767356596 /nfs/dbraw/zinc/35/65/96/767356596.db2.gz XILSLDGTOHXJKF-KSSFIOAISA-N 1 1 340.383 0.062 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCCN(C)C3=O)C2)c1 ZINC001046605687 767356947 /nfs/dbraw/zinc/35/69/47/767356947.db2.gz WTLIBRLDODRILX-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(N)=O)co1)CO2 ZINC001053921963 767365623 /nfs/dbraw/zinc/36/56/23/767365623.db2.gz RTMWYYWQMOCUAM-CYBMUJFWSA-N 1 1 333.388 0.918 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 ZINC001106146807 767367311 /nfs/dbraw/zinc/36/73/11/767367311.db2.gz GRHYKVPVFWEOQS-GJZGRUSLSA-N 1 1 346.435 0.420 20 30 ECEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(=O)n(C)cn1 ZINC001089829220 767367745 /nfs/dbraw/zinc/36/77/45/767367745.db2.gz UQFJMPBWADMPJV-NHIYQJMISA-N 1 1 328.416 0.749 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106146739 767367751 /nfs/dbraw/zinc/36/77/51/767367751.db2.gz FUBFIZFATDXTJM-LSDHHAIUSA-N 1 1 331.420 0.717 20 30 ECEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001046618773 767373636 /nfs/dbraw/zinc/37/36/36/767373636.db2.gz JRWBPFRQFJUZCJ-FCEWJHQRSA-N 1 1 347.459 0.760 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)CO2 ZINC001053925143 767376028 /nfs/dbraw/zinc/37/60/28/767376028.db2.gz AVHAYUUUEJHIDZ-SOUVJXGZSA-N 1 1 335.448 0.636 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)NCCC2=CCN(c3cncc(C#N)n3)CC2)C1 ZINC001089832448 767395919 /nfs/dbraw/zinc/39/59/19/767395919.db2.gz WBOHYSVBAJYNDL-HNNXBMFYSA-N 1 1 340.431 0.943 20 30 ECEDMO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)Cn2cc[nH+]c2C)c1 ZINC001078288857 782621143 /nfs/dbraw/zinc/62/11/43/782621143.db2.gz SSSZOYKTXIUOAH-ZDUSSCGKSA-N 1 1 339.399 0.893 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)nn(C)c1OC)CO2 ZINC001053945155 767420409 /nfs/dbraw/zinc/42/04/09/767420409.db2.gz OHKAHQSUUDDBEN-CYBMUJFWSA-N 1 1 334.420 0.886 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)NCC1=CCN(c2nccnc2C#N)CC1 ZINC001127649052 767436160 /nfs/dbraw/zinc/43/61/60/767436160.db2.gz FSCUHJKZWSIWDQ-UHFFFAOYSA-N 1 1 337.387 0.806 20 30 ECEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001046670376 767447677 /nfs/dbraw/zinc/44/76/77/767447677.db2.gz NZQIXKXHGOFBHE-QGZVFWFLSA-N 1 1 334.420 0.244 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106165069 767461495 /nfs/dbraw/zinc/46/14/95/767461495.db2.gz CVQPHUUMRKMTHX-TZMCWYRMSA-N 1 1 335.383 0.466 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nccnc3C)C2)nn1 ZINC001046681622 767470992 /nfs/dbraw/zinc/47/09/92/767470992.db2.gz QGLCCHPCCZZQPZ-KRWDZBQOSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3nccnc3C)C2)nn1 ZINC001046681622 767470994 /nfs/dbraw/zinc/47/09/94/767470994.db2.gz QGLCCHPCCZZQPZ-KRWDZBQOSA-N 1 1 341.419 0.957 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1c(C)cc(C)nc1=O)CO2 ZINC001053965935 767477096 /nfs/dbraw/zinc/47/70/96/767477096.db2.gz KWXLDOIDULUBMD-OAHLLOKOSA-N 1 1 346.431 0.396 20 30 ECEDMO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001046684766 767479212 /nfs/dbraw/zinc/47/92/12/767479212.db2.gz MAWIQDWKWDCWRN-LSDHHAIUSA-N 1 1 337.464 0.620 20 30 ECEDMO C#CCCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046690188 767487084 /nfs/dbraw/zinc/48/70/84/767487084.db2.gz BDLAQIPPNJMKFN-CVEARBPZSA-N 1 1 349.475 0.457 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001046690644 767487519 /nfs/dbraw/zinc/48/75/19/767487519.db2.gz XEIWVJRBHFSBPP-QGZVFWFLSA-N 1 1 343.435 0.982 20 30 ECEDMO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001046690644 767487527 /nfs/dbraw/zinc/48/75/27/767487527.db2.gz XEIWVJRBHFSBPP-QGZVFWFLSA-N 1 1 343.435 0.982 20 30 ECEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001046703380 767516694 /nfs/dbraw/zinc/51/66/94/767516694.db2.gz RJIXKSSOKFZBLU-KRWDZBQOSA-N 1 1 327.388 0.549 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3cc[nH]n3)C2)C1=O ZINC001017051661 767519310 /nfs/dbraw/zinc/51/93/10/767519310.db2.gz GUHZEGAJGRELOG-ZBFHGGJFSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001017051661 767519314 /nfs/dbraw/zinc/51/93/14/767519314.db2.gz GUHZEGAJGRELOG-ZBFHGGJFSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)C1=O ZINC001017051661 767519318 /nfs/dbraw/zinc/51/93/18/767519318.db2.gz GUHZEGAJGRELOG-ZBFHGGJFSA-N 1 1 345.447 0.981 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001017056553 767524617 /nfs/dbraw/zinc/52/46/17/767524617.db2.gz NHAFODALPAOXSO-FJBKBRRZSA-N 1 1 346.431 0.888 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)c3cn[nH]c3)C2)C1=O ZINC001017062203 767530678 /nfs/dbraw/zinc/53/06/78/767530678.db2.gz HLCJFXNAOYUXRG-ZBFHGGJFSA-N 1 1 345.447 0.981 20 30 ECEDMO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1nc(C)ccc1=O)CO2 ZINC001053987328 767539686 /nfs/dbraw/zinc/53/96/86/767539686.db2.gz LSWYVDGSTDUPKY-AWEZNQCLSA-N 1 1 332.404 0.087 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC(=O)N1C)CO2 ZINC001053997726 767558247 /nfs/dbraw/zinc/55/82/47/767558247.db2.gz VPXAEZZWNZGWCO-GJZGRUSLSA-N 1 1 335.448 0.923 20 30 ECEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 ZINC001046739356 767567919 /nfs/dbraw/zinc/56/79/19/767567919.db2.gz MGNNVCQJRWOSEQ-RHSMWYFYSA-N 1 1 331.420 0.532 20 30 ECEDMO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)CO2 ZINC001054006193 767577121 /nfs/dbraw/zinc/57/71/21/767577121.db2.gz VAHGELDJJMNQBN-GFCCVEGCSA-N 1 1 348.403 0.025 20 30 ECEDMO Cn1ncc(C[N@H+](C)C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001017109378 767600654 /nfs/dbraw/zinc/60/06/54/767600654.db2.gz JIUZXPUISVATPP-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO Cn1ncc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001017109378 767600659 /nfs/dbraw/zinc/60/06/59/767600659.db2.gz JIUZXPUISVATPP-ZDUSSCGKSA-N 1 1 341.419 0.999 20 30 ECEDMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC001054111898 767701624 /nfs/dbraw/zinc/70/16/24/767701624.db2.gz DEOIAKJLTHXPDW-SJKOYZFVSA-N 1 1 329.404 0.688 20 30 ECEDMO O=C(C#CC1CC1)N1CCC[C@]2(CC[N@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC001054130651 767724912 /nfs/dbraw/zinc/72/49/12/767724912.db2.gz VKWJLNUXXHKEPJ-VQIMIIECSA-N 1 1 329.444 0.993 20 30 ECEDMO O=C(C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C#CC1CC1)C2)NC1CC1 ZINC001054130779 767726602 /nfs/dbraw/zinc/72/66/02/767726602.db2.gz YPVMTAYJLLCMFB-LJQANCHMSA-N 1 1 329.444 0.993 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCN(C)C(=O)C1)C2 ZINC001054155126 767750156 /nfs/dbraw/zinc/75/01/56/767750156.db2.gz KGHAUQNNBKKXCP-IBGZPJMESA-N 1 1 346.475 0.098 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1ncn(C)c1=O)C2 ZINC001054167430 767765122 /nfs/dbraw/zinc/76/51/22/767765122.db2.gz TYNNPTOCDKAACW-GOSISDBHSA-N 1 1 347.463 0.863 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)cn1 ZINC001017248518 767767748 /nfs/dbraw/zinc/76/77/48/767767748.db2.gz MZNOSZBCMKGPSE-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCNC(=O)C1)C2 ZINC001054175961 767774194 /nfs/dbraw/zinc/77/41/94/767774194.db2.gz ZCNQKXIIDNPCMO-LJQANCHMSA-N 1 1 348.491 0.699 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001042042285 782658752 /nfs/dbraw/zinc/65/87/52/782658752.db2.gz DMQXFKBDJULICL-IAGOWNOFSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)NC(=O)C1(C)C)C2 ZINC001054223826 767829458 /nfs/dbraw/zinc/82/94/58/767829458.db2.gz JGPQFBVFCFTNNC-SFHVURJKSA-N 1 1 346.431 0.265 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001054235915 767844396 /nfs/dbraw/zinc/84/43/96/767844396.db2.gz AAQZADAFXQVPDK-GOSISDBHSA-N 1 1 348.447 0.771 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1C(=O)NC(C)(C)C1=O)C2 ZINC001054237006 767846431 /nfs/dbraw/zinc/84/64/31/767846431.db2.gz PLKALTZIIXDUGQ-SFHVURJKSA-N 1 1 348.447 0.817 20 30 ECEDMO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@H]1C ZINC001106505436 768383225 /nfs/dbraw/zinc/38/32/25/768383225.db2.gz UCCCMHJXUVIYAA-ZIAGYGMSSA-N 1 1 347.463 0.962 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N(C)CCOCCNc1ccc(C#N)nn1 ZINC001127348158 768386297 /nfs/dbraw/zinc/38/62/97/768386297.db2.gz ZNHZFQCDVRSOGH-UHFFFAOYSA-N 1 1 348.451 0.967 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 ZINC001054903881 768405605 /nfs/dbraw/zinc/40/56/05/768405605.db2.gz VDMFUOQYWWJUCC-ZOBORPQBSA-N 1 1 326.404 0.668 20 30 ECEDMO C#CCCCCCC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001106533559 768413697 /nfs/dbraw/zinc/41/36/97/768413697.db2.gz AETDNMRIKTUBNX-HUUCEWRRSA-N 1 1 332.452 0.978 20 30 ECEDMO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001042044652 782664564 /nfs/dbraw/zinc/66/45/64/782664564.db2.gz RMYOIZKNNQYCHO-HZPDHXFCSA-N 1 1 343.427 0.472 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001017978563 768576193 /nfs/dbraw/zinc/57/61/93/768576193.db2.gz OZOWDOKWDPVCGV-SOUVJXGZSA-N 1 1 328.420 0.324 20 30 ECEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1CCn1cncn1 ZINC000993233382 768614568 /nfs/dbraw/zinc/61/45/68/768614568.db2.gz KVYHDDBMSUTGCV-OCCSQVGLSA-N 1 1 327.392 0.761 20 30 ECEDMO CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001106709971 768696067 /nfs/dbraw/zinc/69/60/67/768696067.db2.gz PHENIATUJWYCEW-MRXNPFEDSA-N 1 1 331.420 0.275 20 30 ECEDMO CCN(CCNc1cc(C)ncc1C#N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001106709971 768696072 /nfs/dbraw/zinc/69/60/72/768696072.db2.gz PHENIATUJWYCEW-MRXNPFEDSA-N 1 1 331.420 0.275 20 30 ECEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001018094483 768714703 /nfs/dbraw/zinc/71/47/03/768714703.db2.gz CNATYLXRWJNCDO-BETUJISGSA-N 1 1 330.388 0.437 20 30 ECEDMO C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001055338253 768794203 /nfs/dbraw/zinc/79/42/03/768794203.db2.gz QEJSNFUQNHEXCH-IYBDPMFKSA-N 1 1 335.448 0.283 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001055340641 768797776 /nfs/dbraw/zinc/79/77/76/768797776.db2.gz UDHZCWTWWLCSAF-HRCADAONSA-N 1 1 335.448 0.283 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)C1 ZINC001055362354 768813904 /nfs/dbraw/zinc/81/39/04/768813904.db2.gz UUNCHCJSYAQJLA-XZDPQHSOSA-N 1 1 340.431 0.916 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993344756 768817836 /nfs/dbraw/zinc/81/78/36/768817836.db2.gz DGWHHDCRBWJQLF-CZUORRHYSA-N 1 1 339.403 0.714 20 30 ECEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001018168713 768841413 /nfs/dbraw/zinc/84/14/13/768841413.db2.gz BKXKMODAWQYIAH-PHIMTYICSA-N 1 1 334.376 0.761 20 30 ECEDMO COCC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC(=O)N(C)C ZINC001099263539 768866769 /nfs/dbraw/zinc/86/67/69/768866769.db2.gz GOWZVVHKFIFWNK-OAHLLOKOSA-N 1 1 337.464 0.721 20 30 ECEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@H](OC)C1 ZINC001212208871 768970799 /nfs/dbraw/zinc/97/07/99/768970799.db2.gz GCYGZQZJBOHMLW-HZSPNIEDSA-N 1 1 327.425 0.881 20 30 ECEDMO CSCC(=O)NCC[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC001055510475 768976759 /nfs/dbraw/zinc/97/67/59/768976759.db2.gz JVVCFYZWZBMDLK-UHFFFAOYSA-N 1 1 325.478 0.706 20 30 ECEDMO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]c2)CC1 ZINC001055530372 769019176 /nfs/dbraw/zinc/01/91/76/769019176.db2.gz GVVLAJZQCPWQOL-UHFFFAOYSA-N 1 1 331.420 0.380 20 30 ECEDMO Cc1ncc(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)s1 ZINC001055539142 769052486 /nfs/dbraw/zinc/05/24/86/769052486.db2.gz JFOYIWTXXVJQKX-LLVKDONJSA-N 1 1 349.460 0.922 20 30 ECEDMO Cc1nc(C(=O)NCC[NH+]2CCC(NC(=O)C#CC3CC3)CC2)co1 ZINC001055564829 769126275 /nfs/dbraw/zinc/12/62/75/769126275.db2.gz OELAKUXFSICQKD-UHFFFAOYSA-N 1 1 344.415 0.707 20 30 ECEDMO C=C(C)CCC(=O)NC1CC[NH+](CCNC(=O)c2cn(C)nn2)CC1 ZINC001055570443 769141952 /nfs/dbraw/zinc/14/19/52/769141952.db2.gz NGDSFWPCXBJVQM-UHFFFAOYSA-N 1 1 348.451 0.482 20 30 ECEDMO CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2cccnn2)CC1 ZINC001055573201 769153069 /nfs/dbraw/zinc/15/30/69/769153069.db2.gz RJYBJHMYNNDXKO-UHFFFAOYSA-N 1 1 343.431 0.446 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2ncccn2)CC1 ZINC001055574869 769159007 /nfs/dbraw/zinc/15/90/07/769159007.db2.gz AYKICXSFNDGFBK-UHFFFAOYSA-N 1 1 341.415 0.200 20 30 ECEDMO O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)c2ccns2)CC1 ZINC001055574910 769159181 /nfs/dbraw/zinc/15/91/81/769159181.db2.gz CXUNNIWYKFAAPF-UHFFFAOYSA-N 1 1 346.456 0.867 20 30 ECEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@@H]1C ZINC000993504888 769188108 /nfs/dbraw/zinc/18/81/08/769188108.db2.gz MHLVOVGSARJRJD-ZFWWWQNUSA-N 1 1 328.416 0.715 20 30 ECEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000993518700 769215623 /nfs/dbraw/zinc/21/56/23/769215623.db2.gz INZKNGSYWDFTPG-ZYHUDNBSSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C ZINC000993518700 769215637 /nfs/dbraw/zinc/21/56/37/769215637.db2.gz INZKNGSYWDFTPG-ZYHUDNBSSA-N 1 1 325.390 0.143 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)C[C@H]21 ZINC001042083667 782733081 /nfs/dbraw/zinc/73/30/81/782733081.db2.gz MJLYSSZQCWNDCU-HUUCEWRRSA-N 1 1 346.431 0.046 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cnon3)C2)CC1 ZINC001018370768 769226373 /nfs/dbraw/zinc/22/63/73/769226373.db2.gz ALTFTHWMARSZKM-CQSZACIVSA-N 1 1 345.403 0.089 20 30 ECEDMO COc1nc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)co1 ZINC001055602116 769234350 /nfs/dbraw/zinc/23/43/50/769234350.db2.gz PVVIZURLMUJRCM-NSHDSACASA-N 1 1 349.391 0.153 20 30 ECEDMO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2ccns2)CC1 ZINC001055631518 769304328 /nfs/dbraw/zinc/30/43/28/769304328.db2.gz HGGXYTVJSYGRGS-NSHDSACASA-N 1 1 335.433 0.613 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)NC2CCC(Nc3ccnc(C#N)n3)CC2)C1 ZINC001060598893 769320645 /nfs/dbraw/zinc/32/06/45/769320645.db2.gz IVTWYXSZCUFKNQ-NFOMZHRRSA-N 1 1 342.447 0.951 20 30 ECEDMO CCc1ncoc1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055640738 769326775 /nfs/dbraw/zinc/32/67/75/769326775.db2.gz FXOPGRBCSCDVMT-LBPRGKRZSA-N 1 1 347.419 0.707 20 30 ECEDMO CC[N@H+](C)CCC(=O)NCCN1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055642858 769331458 /nfs/dbraw/zinc/33/14/58/769331458.db2.gz PBXMQPHRDIPKAH-CQSZACIVSA-N 1 1 337.468 0.185 20 30 ECEDMO CC[N@@H+](C)CCC(=O)NCCN1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055642858 769331468 /nfs/dbraw/zinc/33/14/68/769331468.db2.gz PBXMQPHRDIPKAH-CQSZACIVSA-N 1 1 337.468 0.185 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H]1C ZINC000993680846 769472859 /nfs/dbraw/zinc/47/28/59/769472859.db2.gz XDDHMCGMCOUWQI-LSDHHAIUSA-N 1 1 341.415 0.488 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC001042096066 782756300 /nfs/dbraw/zinc/75/63/00/782756300.db2.gz ANSDKPDEZFBKSD-KBPBESRZSA-N 1 1 341.839 0.521 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC001042096066 782756303 /nfs/dbraw/zinc/75/63/03/782756303.db2.gz ANSDKPDEZFBKSD-KBPBESRZSA-N 1 1 341.839 0.521 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)[C@H]2C)c1 ZINC000993774783 769600096 /nfs/dbraw/zinc/60/00/96/769600096.db2.gz UFGWOLJZUZZZHS-WMLDXEAASA-N 1 1 338.415 0.937 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc3n2CCCC3)C1 ZINC001078357850 782765517 /nfs/dbraw/zinc/76/55/17/782765517.db2.gz CYLKQEGHBJPSRC-KGLIPLIRSA-N 1 1 346.435 0.481 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001078357790 782766319 /nfs/dbraw/zinc/76/63/19/782766319.db2.gz BRFZKRPYHAXAFE-YPMHNXCESA-N 1 1 332.408 0.549 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC(F)F)C2)c1 ZINC001018681658 769755453 /nfs/dbraw/zinc/75/54/53/769755453.db2.gz FXYFBRWIOMCWLD-NSHDSACASA-N 1 1 349.345 0.747 20 30 ECEDMO CCn1c(C)nnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001018737954 769830399 /nfs/dbraw/zinc/83/03/99/769830399.db2.gz LBPLMKSKBDYYGW-ZDUSSCGKSA-N 1 1 327.392 0.811 20 30 ECEDMO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001018769581 769903609 /nfs/dbraw/zinc/90/36/09/769903609.db2.gz RBRDSHSCLMUSIG-KRWDZBQOSA-N 1 1 344.390 0.866 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)[C@H]2C)nn1 ZINC000993951262 769936169 /nfs/dbraw/zinc/93/61/69/769936169.db2.gz OCGXIXJTCCMKJL-KBPBESRZSA-N 1 1 344.423 0.339 20 30 ECEDMO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001018791787 769946975 /nfs/dbraw/zinc/94/69/75/769946975.db2.gz BIUQUCKTHNDLII-UONOGXRCSA-N 1 1 332.335 0.496 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnon3)C2)c1 ZINC001078369246 782794254 /nfs/dbraw/zinc/79/42/54/782794254.db2.gz IONPRGDGIHXRLP-CYBMUJFWSA-N 1 1 330.348 0.290 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001042115773 782797455 /nfs/dbraw/zinc/79/74/55/782797455.db2.gz BPBDTGIBZBQWGK-ZBFHGGJFSA-N 1 1 326.400 0.279 20 30 ECEDMO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994028200 770042558 /nfs/dbraw/zinc/04/25/58/770042558.db2.gz DZBMVKKCXWDXTH-VNHYZAJKSA-N 1 1 343.431 0.662 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)/C(C)=C\C)C1 ZINC001055872415 770048795 /nfs/dbraw/zinc/04/87/95/770048795.db2.gz HADUFGRYQRYRMS-CJZVNQKDSA-N 1 1 347.459 0.520 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)/C(C)=C\C)C1 ZINC001055872415 770048806 /nfs/dbraw/zinc/04/88/06/770048806.db2.gz HADUFGRYQRYRMS-CJZVNQKDSA-N 1 1 347.459 0.520 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 ZINC001042120351 782803746 /nfs/dbraw/zinc/80/37/46/782803746.db2.gz SIMFPCBBVCRIQK-HZPDHXFCSA-N 1 1 334.464 0.259 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@H]21 ZINC001042120734 782805122 /nfs/dbraw/zinc/80/51/22/782805122.db2.gz ZRIVIXZBQVYHQJ-DGCLKSJQSA-N 1 1 337.401 0.097 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C[C@H]21 ZINC001042122039 782806265 /nfs/dbraw/zinc/80/62/65/782806265.db2.gz LCVMZRLPOLQBBM-SMDDNHRTSA-N 1 1 325.372 0.833 20 30 ECEDMO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055910369 770179613 /nfs/dbraw/zinc/17/96/13/770179613.db2.gz MYBWNJMAPBVDOJ-CRAIPNDOSA-N 1 1 335.448 0.354 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055939622 770295041 /nfs/dbraw/zinc/29/50/41/770295041.db2.gz DJAVYLPKRHSOTE-APWZRJJASA-N 1 1 347.459 0.354 20 30 ECEDMO C[N@@H+](CC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1)C1CCC1 ZINC001055941972 770303164 /nfs/dbraw/zinc/30/31/64/770303164.db2.gz YDSGHESHPPPGQE-IBGZPJMESA-N 1 1 347.459 0.354 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H]1C ZINC000994206441 770304258 /nfs/dbraw/zinc/30/42/58/770304258.db2.gz CKTQORTXQGPGCF-MNOVXSKESA-N 1 1 334.376 0.502 20 30 ECEDMO C=C(C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055953625 770347656 /nfs/dbraw/zinc/34/76/56/770347656.db2.gz GYGHIZKWTHEJFS-YJBOKZPZSA-N 1 1 337.464 0.764 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055954485 770353765 /nfs/dbraw/zinc/35/37/65/770353765.db2.gz TZLCKNWBZCZMIX-YJBOKZPZSA-N 1 1 335.448 0.211 20 30 ECEDMO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001055980951 770434219 /nfs/dbraw/zinc/43/42/19/770434219.db2.gz UIYDYNOPYHNBNG-KRWDZBQOSA-N 1 1 325.453 0.763 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)[C@H]2C)nc1 ZINC000994252382 770440577 /nfs/dbraw/zinc/44/05/77/770440577.db2.gz LHPGNZRRFRNBCE-DZGCQCFKSA-N 1 1 328.416 0.734 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)[C@H]2C)nc1 ZINC000994252382 770440580 /nfs/dbraw/zinc/44/05/80/770440580.db2.gz LHPGNZRRFRNBCE-DZGCQCFKSA-N 1 1 328.416 0.734 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccncc3C#N)CC2)C1 ZINC001055991553 770478676 /nfs/dbraw/zinc/47/86/76/770478676.db2.gz MONPZVJPQYUCRQ-KRWDZBQOSA-N 1 1 343.431 0.711 20 30 ECEDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccncc3C#N)CC2)C1 ZINC001055991553 770478682 /nfs/dbraw/zinc/47/86/82/770478682.db2.gz MONPZVJPQYUCRQ-KRWDZBQOSA-N 1 1 343.431 0.711 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2noc(C)n2)C1 ZINC001018985861 770483603 /nfs/dbraw/zinc/48/36/03/770483603.db2.gz JLRJTKXJTJTQIW-SNPRPXQTSA-N 1 1 331.420 0.727 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2noc(C)n2)C1 ZINC001018985861 770483611 /nfs/dbraw/zinc/48/36/11/770483611.db2.gz JLRJTKXJTJTQIW-SNPRPXQTSA-N 1 1 331.420 0.727 20 30 ECEDMO C#CC[N@H+]1CC[C@H]2CCN(C(=O)COc3c(C)occc3=O)C[C@H]21 ZINC001042142377 782844066 /nfs/dbraw/zinc/84/40/66/782844066.db2.gz NWZRFKSUQVGCMZ-LSDHHAIUSA-N 1 1 330.384 0.883 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)COc3c(C)occc3=O)C[C@H]21 ZINC001042142377 782844075 /nfs/dbraw/zinc/84/40/75/782844075.db2.gz NWZRFKSUQVGCMZ-LSDHHAIUSA-N 1 1 330.384 0.883 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCCN(C(=O)C#CC3CC3)C2)C1 ZINC001056019373 770570820 /nfs/dbraw/zinc/57/08/20/770570820.db2.gz ICCQYELUVGATFJ-LPHOPBHVSA-N 1 1 347.459 0.211 20 30 ECEDMO C=CCOc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)cc1 ZINC001019052422 770667782 /nfs/dbraw/zinc/66/77/82/770667782.db2.gz AQUDTEUITAJIQH-AWEZNQCLSA-N 1 1 342.403 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C1(C)CC1)C2 ZINC001019144875 770919559 /nfs/dbraw/zinc/91/95/59/770919559.db2.gz VHABMRJVKUNRNU-HNNXBMFYSA-N 1 1 329.444 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C1(C)CC1)C2 ZINC001019144875 770919563 /nfs/dbraw/zinc/91/95/63/770919563.db2.gz VHABMRJVKUNRNU-HNNXBMFYSA-N 1 1 329.444 0.945 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC001019169422 770985898 /nfs/dbraw/zinc/98/58/98/770985898.db2.gz SGEGEINMNCPOKN-MRXNPFEDSA-N 1 1 329.444 0.945 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cccc(F)c4C#N)C[C@H]32)C1 ZINC001056182513 771003157 /nfs/dbraw/zinc/00/31/57/771003157.db2.gz PKKAAKJPUHSFNF-GFOFROLCSA-N 1 1 344.390 0.579 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cccc(F)c4C#N)C[C@H]32)C1 ZINC001056182513 771003166 /nfs/dbraw/zinc/00/31/66/771003166.db2.gz PKKAAKJPUHSFNF-GFOFROLCSA-N 1 1 344.390 0.579 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001056234472 771027104 /nfs/dbraw/zinc/02/71/04/771027104.db2.gz FCCSICKVCYJRJN-QSJFSLAZSA-N 1 1 340.431 0.773 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001056305030 771098164 /nfs/dbraw/zinc/09/81/64/771098164.db2.gz BFLYZWNTSSALAI-LQKXBSAESA-N 1 1 340.431 0.772 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001056314229 771111259 /nfs/dbraw/zinc/11/12/59/771111259.db2.gz LHCCFFFQWRKASJ-OAGGEKHMSA-N 1 1 335.448 0.875 20 30 ECEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001099324116 771114396 /nfs/dbraw/zinc/11/43/96/771114396.db2.gz HGOVLVMAJIUZOW-CQSZACIVSA-N 1 1 335.452 0.683 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC(C)(C)C1 ZINC001089423365 771122962 /nfs/dbraw/zinc/12/29/62/771122962.db2.gz IXFOSCCQEIVQFR-MRXNPFEDSA-N 1 1 348.491 0.391 20 30 ECEDMO N#Cc1nccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001056322630 771124261 /nfs/dbraw/zinc/12/42/61/771124261.db2.gz XAUFIROSFVOEHB-CQJJVWNLSA-N 1 1 349.398 0.673 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC001089432790 771157504 /nfs/dbraw/zinc/15/75/04/771157504.db2.gz DNMKWSWGCSEKJQ-UONOGXRCSA-N 1 1 326.462 0.661 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC001089432790 771157508 /nfs/dbraw/zinc/15/75/08/771157508.db2.gz DNMKWSWGCSEKJQ-UONOGXRCSA-N 1 1 326.462 0.661 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(CC)n3C)C2)c1 ZINC001019356814 771197166 /nfs/dbraw/zinc/19/71/66/771197166.db2.gz GZNQAVNYLHAINZ-HNNXBMFYSA-N 1 1 338.415 0.758 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001019367183 771212009 /nfs/dbraw/zinc/21/20/09/771212009.db2.gz RPYWUWZKLPGSPU-AWEZNQCLSA-N 1 1 332.448 0.939 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001019367379 771212882 /nfs/dbraw/zinc/21/28/82/771212882.db2.gz XIKYALCKOZSLFH-LBPRGKRZSA-N 1 1 345.403 0.570 20 30 ECEDMO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001056444687 771276252 /nfs/dbraw/zinc/27/62/52/771276252.db2.gz LYDQZPVALNQEFD-XJBGLIRHSA-N 1 1 340.431 0.548 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031580311 771331849 /nfs/dbraw/zinc/33/18/49/771331849.db2.gz VGCWTZZLZCKYSR-JKSUJKDBSA-N 1 1 327.384 0.915 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCOCCNc2nccnc2C#N)C1 ZINC001127486085 771335342 /nfs/dbraw/zinc/33/53/42/771335342.db2.gz GRPIJGSMISHPAD-CQSZACIVSA-N 1 1 346.435 0.577 20 30 ECEDMO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncccn3)C2)nn1 ZINC001019493809 771357837 /nfs/dbraw/zinc/35/78/37/771357837.db2.gz OJTVPCBPCFCNLW-ZDUSSCGKSA-N 1 1 327.392 0.649 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)CC(C)(C)C2)nn1 ZINC001089514894 771382064 /nfs/dbraw/zinc/38/20/64/771382064.db2.gz RCSPGARYVNDBDW-ZDUSSCGKSA-N 1 1 348.451 0.431 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001056599896 771419842 /nfs/dbraw/zinc/41/98/42/771419842.db2.gz TVLJEQVMDAXXRW-OCCSQVGLSA-N 1 1 333.367 0.436 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3F)C2)C1 ZINC001056599896 771419847 /nfs/dbraw/zinc/41/98/47/771419847.db2.gz TVLJEQVMDAXXRW-OCCSQVGLSA-N 1 1 333.367 0.436 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001056648371 771467198 /nfs/dbraw/zinc/46/71/98/771467198.db2.gz SDGCMXPGPZXYSO-HUUCEWRRSA-N 1 1 329.404 0.687 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)cn3)C2)C1 ZINC001056648371 771467200 /nfs/dbraw/zinc/46/72/00/771467200.db2.gz SDGCMXPGPZXYSO-HUUCEWRRSA-N 1 1 329.404 0.687 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 ZINC001019552323 771472379 /nfs/dbraw/zinc/47/23/79/771472379.db2.gz POHWXIXZXOYLOW-CVEARBPZSA-N 1 1 333.432 0.228 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@@H]21 ZINC001042200678 782928174 /nfs/dbraw/zinc/92/81/74/782928174.db2.gz IOILVYAFJXIENF-ZFWWWQNUSA-N 1 1 329.400 0.867 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccoc3CC(N)=O)C[C@H]21 ZINC001042200473 782928276 /nfs/dbraw/zinc/92/82/76/782928276.db2.gz DRVNKMLJJSDXGV-UKRRQHHQSA-N 1 1 329.400 0.867 20 30 ECEDMO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001056668729 771494600 /nfs/dbraw/zinc/49/46/00/771494600.db2.gz HNGLOEQAPMBYQB-ARFHVFGLSA-N 1 1 335.448 0.590 20 30 ECEDMO N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC001056680186 771507703 /nfs/dbraw/zinc/50/77/03/771507703.db2.gz ZBWDQWSTTVRWPM-DYVFJYSZSA-N 1 1 326.404 0.847 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@@H](Nc3ccncc3C#N)C2)no1 ZINC001056727117 771562163 /nfs/dbraw/zinc/56/21/63/771562163.db2.gz JRMHCIBEJBVXFP-CYBMUJFWSA-N 1 1 340.387 0.751 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3nccn3CC)C2)C1=O ZINC001031639845 771569107 /nfs/dbraw/zinc/56/91/07/771569107.db2.gz SWJPBSQANHJZED-AWEZNQCLSA-N 1 1 331.420 0.352 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CCCC1 ZINC001056768344 771612571 /nfs/dbraw/zinc/61/25/71/771612571.db2.gz QAXZIAUMZPUCER-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CCCC1 ZINC001056768344 771612574 /nfs/dbraw/zinc/61/25/74/771612574.db2.gz QAXZIAUMZPUCER-INIZCTEOSA-N 1 1 335.448 0.211 20 30 ECEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)ccc1F ZINC001042209684 782940823 /nfs/dbraw/zinc/94/08/23/782940823.db2.gz CGEYILPCRFEVAR-IUODEOHRSA-N 1 1 330.363 0.605 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)ccc1F ZINC001042209684 782940830 /nfs/dbraw/zinc/94/08/30/782940830.db2.gz CGEYILPCRFEVAR-IUODEOHRSA-N 1 1 330.363 0.605 20 30 ECEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056817996 771682310 /nfs/dbraw/zinc/68/23/10/771682310.db2.gz PWRWUOKWUFKNBQ-HUUCEWRRSA-N 1 1 342.447 0.903 20 30 ECEDMO Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001056870717 771746030 /nfs/dbraw/zinc/74/60/30/771746030.db2.gz BVUIKHHMAWOIDM-HUUCEWRRSA-N 1 1 328.420 0.788 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3cnc(C#N)cn3)C2)C1 ZINC001056928259 771819009 /nfs/dbraw/zinc/81/90/09/771819009.db2.gz COEHUAKDIHVGEQ-GJZGRUSLSA-N 1 1 344.419 0.106 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)c3cnc(C#N)cn3)C2)C1 ZINC001056928259 771819012 /nfs/dbraw/zinc/81/90/12/771819012.db2.gz COEHUAKDIHVGEQ-GJZGRUSLSA-N 1 1 344.419 0.106 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC[C@@H]3CC[N@H+](CC(=O)N(C)C)[C@@H]3C2)c1 ZINC001042233141 782963505 /nfs/dbraw/zinc/96/35/05/782963505.db2.gz PVOAVJNMRHORMO-DOTOQJQBSA-N 1 1 340.427 0.688 20 30 ECEDMO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001057006289 771937014 /nfs/dbraw/zinc/93/70/14/771937014.db2.gz PCOUNAUZKVKWHE-KGLIPLIRSA-N 1 1 328.420 0.870 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@H]21 ZINC001042243950 782975692 /nfs/dbraw/zinc/97/56/92/782975692.db2.gz UZSIAGXCLXTXGV-DZGCQCFKSA-N 1 1 328.416 0.521 20 30 ECEDMO CC(C)(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001020057770 772114349 /nfs/dbraw/zinc/11/43/49/772114349.db2.gz JHKQZLOHIFTBKK-HAQNSBGRSA-N 1 1 342.407 0.678 20 30 ECEDMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C1CC1 ZINC001020085147 772139263 /nfs/dbraw/zinc/13/92/63/772139263.db2.gz GAZSOZHCHFCYJT-DLOVCJGASA-N 1 1 340.391 0.819 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCCO2)[C@H]1C ZINC001020085578 772139817 /nfs/dbraw/zinc/13/98/17/772139817.db2.gz ARNIVIAOMYOYNI-QAETUUGQSA-N 1 1 347.459 0.759 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCCO2)[C@H]1C ZINC001020085578 772139819 /nfs/dbraw/zinc/13/98/19/772139819.db2.gz ARNIVIAOMYOYNI-QAETUUGQSA-N 1 1 347.459 0.759 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001057168558 772209603 /nfs/dbraw/zinc/20/96/03/772209603.db2.gz KUACGLLESWMTPG-OAHLLOKOSA-N 1 1 348.447 0.657 20 30 ECEDMO C=CCCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001057172698 772213051 /nfs/dbraw/zinc/21/30/51/772213051.db2.gz NSSDCZOGEBCRRV-UHFFFAOYSA-N 1 1 325.453 0.622 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C)CC[N@H+]1C ZINC001020161234 772230424 /nfs/dbraw/zinc/23/04/24/772230424.db2.gz HPLHOHZKMZCZMN-OSRDXIQISA-N 1 1 343.431 0.946 20 30 ECEDMO C=CCOCC(=O)N(CCO)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001057196281 772255647 /nfs/dbraw/zinc/25/56/47/772255647.db2.gz BFNZPTHWLLFOIP-UHFFFAOYSA-N 1 1 343.468 0.104 20 30 ECEDMO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001057212560 772287140 /nfs/dbraw/zinc/28/71/40/772287140.db2.gz PYNFCUUNOMXMDB-RHSMWYFYSA-N 1 1 325.453 0.620 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3cnc(C#N)cn3)CC2)C1 ZINC001057303442 772432507 /nfs/dbraw/zinc/43/25/07/772432507.db2.gz WFNFJAAJKWAHDB-CQSZACIVSA-N 1 1 330.392 0.082 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3cnc(C#N)cn3)CC2)C1 ZINC001057303442 772432512 /nfs/dbraw/zinc/43/25/12/772432512.db2.gz WFNFJAAJKWAHDB-CQSZACIVSA-N 1 1 330.392 0.082 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001078472508 783016722 /nfs/dbraw/zinc/01/67/22/783016722.db2.gz YYRFYBPEMPLFCF-KFWWJZLASA-N 1 1 349.435 0.113 20 30 ECEDMO C#CCCCCC(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC ZINC001057388006 772555498 /nfs/dbraw/zinc/55/54/98/772555498.db2.gz BVTIMPZMUBGONW-UHFFFAOYSA-N 1 1 325.453 0.459 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057393413 772561928 /nfs/dbraw/zinc/56/19/28/772561928.db2.gz YWWXEKNIEXXCMY-UHFFFAOYSA-N 1 1 325.376 0.378 20 30 ECEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057425815 772600709 /nfs/dbraw/zinc/60/07/09/772600709.db2.gz SREQJPGPHPBCLW-CYBMUJFWSA-N 1 1 328.420 0.657 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(Nc2nccnc2C#N)CC1 ZINC001057426728 772601249 /nfs/dbraw/zinc/60/12/49/772601249.db2.gz FVCQXTFWIGWKCZ-JSGCOSHPSA-N 1 1 328.420 0.949 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001057446357 772623278 /nfs/dbraw/zinc/62/32/78/772623278.db2.gz ASAHEDDNPNPUGQ-JKSUJKDBSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001057446478 772623348 /nfs/dbraw/zinc/62/33/48/772623348.db2.gz DJOXPHDDXVOIOM-SJORKVTESA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(CNc3ccncc3C#N)CC2)C1 ZINC001057502039 772691198 /nfs/dbraw/zinc/69/11/98/772691198.db2.gz ZEHWMKULDWWUJJ-OAHLLOKOSA-N 1 1 327.432 0.977 20 30 ECEDMO C=CCC1(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001057636127 772843289 /nfs/dbraw/zinc/84/32/89/772843289.db2.gz NTCRKBBNBXFCFR-OAHLLOKOSA-N 1 1 337.464 0.622 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057654310 772870286 /nfs/dbraw/zinc/87/02/86/772870286.db2.gz CZTGEUVJHPUMNE-ZFWWWQNUSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](Nc3cnc(C#N)cn3)C2)C1 ZINC001057654310 772870288 /nfs/dbraw/zinc/87/02/88/772870288.db2.gz CZTGEUVJHPUMNE-ZFWWWQNUSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057655369 772871980 /nfs/dbraw/zinc/87/19/80/772871980.db2.gz ODWCLFHSLXMVPG-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](Nc3cncc(C#N)n3)C2)C1 ZINC001057655369 772871985 /nfs/dbraw/zinc/87/19/85/772871985.db2.gz ODWCLFHSLXMVPG-HIFRSBDPSA-N 1 1 344.419 0.472 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057786357 772982329 /nfs/dbraw/zinc/98/23/29/772982329.db2.gz VCKPHGCCILJUCC-HNNXBMFYSA-N 1 1 344.419 0.011 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)NCC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057786357 772982331 /nfs/dbraw/zinc/98/23/31/772982331.db2.gz VCKPHGCCILJUCC-HNNXBMFYSA-N 1 1 344.419 0.011 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001057805635 773004119 /nfs/dbraw/zinc/00/41/19/773004119.db2.gz KCCUOQSTRUIQEI-HNNXBMFYSA-N 1 1 325.453 0.764 20 30 ECEDMO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001057806914 773006399 /nfs/dbraw/zinc/00/63/99/773006399.db2.gz WRYGHNUWWYNJJX-GJZGRUSLSA-N 1 1 325.453 0.478 20 30 ECEDMO C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001057866525 773097269 /nfs/dbraw/zinc/09/72/69/773097269.db2.gz UBQIFESTYQSNTD-GDBMZVCRSA-N 1 1 346.431 0.386 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)NC2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001057885294 773130609 /nfs/dbraw/zinc/13/06/09/773130609.db2.gz OBGQHRNLIYRKGM-CYBMUJFWSA-N 1 1 328.420 0.775 20 30 ECEDMO C#CCCCCC(=O)NCCN(CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001057903603 773164770 /nfs/dbraw/zinc/16/47/70/773164770.db2.gz QEROFCUUNLPEBX-UHFFFAOYSA-N 1 1 337.464 0.601 20 30 ECEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(c2cncc(C#N)n2)CC1 ZINC001057945743 773245785 /nfs/dbraw/zinc/24/57/85/773245785.db2.gz FPPPLPXROFPMBF-WFASDCNBSA-N 1 1 328.420 0.631 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)NC1CCN(c2cncc(C#N)n2)CC1 ZINC001057946278 773246747 /nfs/dbraw/zinc/24/67/47/773246747.db2.gz XTOQIEMCQPEHED-ZDUSSCGKSA-N 1 1 328.420 0.918 20 30 ECEDMO Cc1cc(C#N)nc(N2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001057946213 773247071 /nfs/dbraw/zinc/24/70/71/773247071.db2.gz VMCJOZDNUHXRMW-MLGOLLRUSA-N 1 1 342.447 0.939 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)CCC ZINC001057961082 773290840 /nfs/dbraw/zinc/29/08/40/773290840.db2.gz IIDSUZNPLBOIBG-HOTGVXAUSA-N 1 1 337.464 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)CCC ZINC001057961082 773290842 /nfs/dbraw/zinc/29/08/42/773290842.db2.gz IIDSUZNPLBOIBG-HOTGVXAUSA-N 1 1 337.464 0.457 20 30 ECEDMO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001040612951 783102213 /nfs/dbraw/zinc/10/22/13/783102213.db2.gz HNQXOXZLVJZRJQ-VQIMIIECSA-N 1 1 349.475 0.744 20 30 ECEDMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058135101 773605560 /nfs/dbraw/zinc/60/55/60/773605560.db2.gz XEODAXNIHJJMJW-CABCVRRESA-N 1 1 329.404 0.369 20 30 ECEDMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)C2)C1 ZINC001058135101 773605564 /nfs/dbraw/zinc/60/55/64/773605564.db2.gz XEODAXNIHJJMJW-CABCVRRESA-N 1 1 329.404 0.369 20 30 ECEDMO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058159774 773664638 /nfs/dbraw/zinc/66/46/38/773664638.db2.gz WMJXZEDJHLASIW-OAHLLOKOSA-N 1 1 339.480 0.868 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058167739 773683821 /nfs/dbraw/zinc/68/38/21/773683821.db2.gz KXSBEBFZIWWOMV-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058167739 773683827 /nfs/dbraw/zinc/68/38/27/773683827.db2.gz KXSBEBFZIWWOMV-DZGCQCFKSA-N 1 1 344.419 0.154 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)C1 ZINC001058241339 773828859 /nfs/dbraw/zinc/82/88/59/773828859.db2.gz OHJCNUDCPAIPLT-KBPBESRZSA-N 1 1 328.420 0.775 20 30 ECEDMO C=CCCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C[N@H+](C)CCC ZINC001058255305 773853092 /nfs/dbraw/zinc/85/30/92/773853092.db2.gz KOWRMILESBNMRO-HNNXBMFYSA-N 1 1 343.468 0.247 20 30 ECEDMO Cc1nsc(N2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1C#N ZINC001058317059 773961923 /nfs/dbraw/zinc/96/19/23/773961923.db2.gz NTGQCYQPSXHRPS-YPMHNXCESA-N 1 1 335.433 0.349 20 30 ECEDMO Cc1nsc(N2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1C#N ZINC001058317059 773961929 /nfs/dbraw/zinc/96/19/29/773961929.db2.gz NTGQCYQPSXHRPS-YPMHNXCESA-N 1 1 335.433 0.349 20 30 ECEDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058381327 774067525 /nfs/dbraw/zinc/06/75/25/774067525.db2.gz DSBQSYFONAFVCJ-LSDHHAIUSA-N 1 1 328.420 0.918 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCC1(C)C ZINC001058458497 774221035 /nfs/dbraw/zinc/22/10/35/774221035.db2.gz BCNAHXPEAUQLPU-CVEARBPZSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCC1(C)C ZINC001058458497 774221038 /nfs/dbraw/zinc/22/10/38/774221038.db2.gz BCNAHXPEAUQLPU-CVEARBPZSA-N 1 1 349.475 0.457 20 30 ECEDMO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1c[nH+]cc1C ZINC001058467001 774240776 /nfs/dbraw/zinc/24/07/76/774240776.db2.gz ZMMUUTUBIBANMB-CQSZACIVSA-N 1 1 336.436 0.731 20 30 ECEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1C ZINC001058468940 774244929 /nfs/dbraw/zinc/24/49/29/774244929.db2.gz VKIJJOOWENSBEC-HNNXBMFYSA-N 1 1 336.436 0.731 20 30 ECEDMO CCC[N@H+]1CCC[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)C1 ZINC001058480231 774268925 /nfs/dbraw/zinc/26/89/25/774268925.db2.gz FKDYJFQWZISQFL-CABCVRRESA-N 1 1 338.452 0.205 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)no1 ZINC001058484323 774279126 /nfs/dbraw/zinc/27/91/26/774279126.db2.gz OIBZFIANAKOUGL-LLVKDONJSA-N 1 1 341.375 0.407 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)CC[N@H+]1C ZINC001058497287 774309432 /nfs/dbraw/zinc/30/94/32/774309432.db2.gz OQHIULQEJJMBLS-HOCLYGCPSA-N 1 1 335.448 0.067 20 30 ECEDMO C=CCCCC(=O)N(CCO)CCNC(=O)CC[NH+]1CCOCC1 ZINC001058623075 774559758 /nfs/dbraw/zinc/55/97/58/774559758.db2.gz FMHPCTISMPTLNJ-UHFFFAOYSA-N 1 1 341.452 0.002 20 30 ECEDMO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039857482 783199405 /nfs/dbraw/zinc/19/94/05/783199405.db2.gz ALCQDUCEECUJBV-RKVPGOIHSA-N 1 1 335.448 0.210 20 30 ECEDMO C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001039866683 783204062 /nfs/dbraw/zinc/20/40/62/783204062.db2.gz AKSSBZSHONVJDA-HDMKZQKVSA-N 1 1 337.464 0.763 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001044999394 774816338 /nfs/dbraw/zinc/81/63/38/774816338.db2.gz YWMNKXFRZIBFCT-LSDHHAIUSA-N 1 1 335.448 0.067 20 30 ECEDMO N#Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C2CC2)[nH]1 ZINC001045000387 774817220 /nfs/dbraw/zinc/81/72/20/774817220.db2.gz GICVWXXFSYHRHY-ZDUSSCGKSA-N 1 1 340.391 0.602 20 30 ECEDMO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001045003013 774822043 /nfs/dbraw/zinc/82/20/43/774822043.db2.gz KKLAYFLYFUGUSN-JKSUJKDBSA-N 1 1 349.475 0.600 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001045040071 774883761 /nfs/dbraw/zinc/88/37/61/774883761.db2.gz XJIAHEJFYWOQOR-CABCVRRESA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001045040071 774883767 /nfs/dbraw/zinc/88/37/67/774883767.db2.gz XJIAHEJFYWOQOR-CABCVRRESA-N 1 1 347.459 0.210 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001045068216 774926805 /nfs/dbraw/zinc/92/68/05/774926805.db2.gz BHNRYGKCMYPLRP-CQSZACIVSA-N 1 1 325.453 0.620 20 30 ECEDMO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001045068226 774926892 /nfs/dbraw/zinc/92/68/92/774926892.db2.gz BMEIOSHMPYWSDP-CQSZACIVSA-N 1 1 334.420 0.483 20 30 ECEDMO Cc1nc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)ccc1C#N ZINC001043875543 775176514 /nfs/dbraw/zinc/17/65/14/775176514.db2.gz NXVFLYGPOHGZGM-ILXRZTDVSA-N 1 1 329.404 0.022 20 30 ECEDMO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ncccn2)nn1 ZINC001045231920 775189573 /nfs/dbraw/zinc/18/95/73/775189573.db2.gz HQIRSWIRKIKXPD-ZDUSSCGKSA-N 1 1 327.392 0.649 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](n2ccnn2)C1 ZINC001070023542 790359968 /nfs/dbraw/zinc/35/99/68/790359968.db2.gz XMTQIHLMACNOTD-CABCVRRESA-N 1 1 342.403 0.919 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070026546 790373343 /nfs/dbraw/zinc/37/33/43/790373343.db2.gz BWTMLILRAAZEPI-BARDWOONSA-N 1 1 346.435 0.097 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(C#N)n2)C1 ZINC001045534403 775752974 /nfs/dbraw/zinc/75/29/74/775752974.db2.gz NDBXPHCKMVZVAK-RRFJBIMHSA-N 1 1 342.447 0.951 20 30 ECEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068498354 790412273 /nfs/dbraw/zinc/41/22/73/790412273.db2.gz KSUGVOYVDUQEHC-KKUMJFAQSA-N 1 1 342.447 0.951 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@@H](n2ccnn2)C1 ZINC001070038636 790414922 /nfs/dbraw/zinc/41/49/22/790414922.db2.gz VGYQTGUUZARSSZ-CABCVRRESA-N 1 1 327.392 0.690 20 30 ECEDMO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)c1 ZINC001045744866 776127599 /nfs/dbraw/zinc/12/75/99/776127599.db2.gz DHJBJQXGPPCFGS-CABCVRRESA-N 1 1 339.403 0.857 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O ZINC001044318593 776138053 /nfs/dbraw/zinc/13/80/53/776138053.db2.gz VOFXVYRNGJNCIX-CABCVRRESA-N 1 1 340.387 0.133 20 30 ECEDMO C#CCCCC(=O)NCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001070042009 790428278 /nfs/dbraw/zinc/42/82/78/790428278.db2.gz UPKCXUOTDUTRMA-HNNXBMFYSA-N 1 1 335.448 0.666 20 30 ECEDMO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001044404605 776279746 /nfs/dbraw/zinc/27/97/46/776279746.db2.gz IGFRZEZYOZZOFV-SFHVURJKSA-N 1 1 349.475 0.764 20 30 ECEDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNc3ccnc(C#N)n3)C2)C1 ZINC001068506732 790435177 /nfs/dbraw/zinc/43/51/77/790435177.db2.gz VAVHTKOHXPJPEW-MGPQQGTHSA-N 1 1 328.420 0.419 20 30 ECEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)CC[N@H+]1C ZINC001044452262 776313878 /nfs/dbraw/zinc/31/38/78/776313878.db2.gz GHMLNGPEXCIWIU-HNKHHVNMSA-N 1 1 343.431 0.349 20 30 ECEDMO Cc1nc(N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)ccc1C#N ZINC001044538041 776408705 /nfs/dbraw/zinc/40/87/05/776408705.db2.gz JDMVFJQDTVUBES-MAZHCROVSA-N 1 1 343.431 0.412 20 30 ECEDMO Cc1nsc(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)c1C#N ZINC001044547588 776418203 /nfs/dbraw/zinc/41/82/03/776418203.db2.gz PBXPGOXVZQWNQV-GDLCADMTSA-N 1 1 349.460 0.331 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642983 776590656 /nfs/dbraw/zinc/59/06/56/776590656.db2.gz SLWYJMKBHYPDKC-VCTAVGKDSA-N 1 1 346.362 0.742 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642983 776590661 /nfs/dbraw/zinc/59/06/61/776590661.db2.gz SLWYJMKBHYPDKC-VCTAVGKDSA-N 1 1 346.362 0.742 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001079663934 776644443 /nfs/dbraw/zinc/64/44/43/776644443.db2.gz YCDIETYYPHOLGG-BPLDGKMQSA-N 1 1 346.435 0.135 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001079663934 776644451 /nfs/dbraw/zinc/64/44/51/776644451.db2.gz YCDIETYYPHOLGG-BPLDGKMQSA-N 1 1 346.435 0.135 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001044703606 776665500 /nfs/dbraw/zinc/66/55/00/776665500.db2.gz KULUDQNNVHCBTK-OAGGEKHMSA-N 1 1 343.431 0.493 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704395 776730996 /nfs/dbraw/zinc/73/09/96/776730996.db2.gz YAPVEYZXXUWICG-IUODEOHRSA-N 1 1 325.376 0.181 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704395 776731001 /nfs/dbraw/zinc/73/10/01/776731001.db2.gz YAPVEYZXXUWICG-IUODEOHRSA-N 1 1 325.376 0.181 20 30 ECEDMO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079774411 776844884 /nfs/dbraw/zinc/84/48/84/776844884.db2.gz CFEFCOCIJUHTMF-CABCVRRESA-N 1 1 335.448 0.426 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CC[N@H+](C)CCC)C1 ZINC001079776470 776851349 /nfs/dbraw/zinc/85/13/49/776851349.db2.gz HEESFTHNVDUSCO-HNNXBMFYSA-N 1 1 337.464 0.816 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001079776554 776851638 /nfs/dbraw/zinc/85/16/38/776851638.db2.gz JHJDLBYSHMHQPU-GJZGRUSLSA-N 1 1 335.448 0.426 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079787023 776872464 /nfs/dbraw/zinc/87/24/64/776872464.db2.gz DESPUFQAPYSYKL-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079787023 776872468 /nfs/dbraw/zinc/87/24/68/776872468.db2.gz DESPUFQAPYSYKL-HNNXBMFYSA-N 1 1 337.464 0.979 20 30 ECEDMO C=CCOCCCC(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079804151 776902731 /nfs/dbraw/zinc/90/27/31/776902731.db2.gz VRCOXMQBVSFFAB-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)O2 ZINC001068538913 790514157 /nfs/dbraw/zinc/51/41/57/790514157.db2.gz BLNWVVOGQKTXAE-JKSUJKDBSA-N 1 1 347.459 0.616 20 30 ECEDMO C=CCCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001079978052 777183020 /nfs/dbraw/zinc/18/30/20/777183020.db2.gz CPTQZVIWSZVOIV-GOEBONIOSA-N 1 1 337.464 0.836 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001080105612 777398762 /nfs/dbraw/zinc/39/87/62/777398762.db2.gz XCPWKPOARFWENV-QGZVFWFLSA-N 1 1 334.420 0.578 20 30 ECEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001080139572 777446724 /nfs/dbraw/zinc/44/67/24/777446724.db2.gz KXNVGDZOTZYVRG-DGCLKSJQSA-N 1 1 349.884 0.601 20 30 ECEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001080139572 777446731 /nfs/dbraw/zinc/44/67/31/777446731.db2.gz KXNVGDZOTZYVRG-DGCLKSJQSA-N 1 1 349.884 0.601 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3csnn3)C2)C1=O ZINC001080212479 777564755 /nfs/dbraw/zinc/56/47/55/777564755.db2.gz IZNMIBZAVXBGGW-WZRBSPASSA-N 1 1 335.433 0.375 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3csnn3)C2)C1=O ZINC001080212479 777564763 /nfs/dbraw/zinc/56/47/63/777564763.db2.gz IZNMIBZAVXBGGW-WZRBSPASSA-N 1 1 335.433 0.375 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)cc1 ZINC001080244779 777601711 /nfs/dbraw/zinc/60/17/11/777601711.db2.gz MCVKQXMXLUSOOF-XYPHTWIQSA-N 1 1 325.412 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)cc1 ZINC001080244779 777601713 /nfs/dbraw/zinc/60/17/13/777601713.db2.gz MCVKQXMXLUSOOF-XYPHTWIQSA-N 1 1 325.412 0.949 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)cc1 ZINC001080244915 777601848 /nfs/dbraw/zinc/60/18/48/777601848.db2.gz RGIGYPQUJGPHCO-CXAGYDPISA-N 1 1 325.412 0.997 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)cc1 ZINC001080244915 777601849 /nfs/dbraw/zinc/60/18/49/777601849.db2.gz RGIGYPQUJGPHCO-CXAGYDPISA-N 1 1 325.412 0.997 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070085841 790554371 /nfs/dbraw/zinc/55/43/71/790554371.db2.gz VPYKYCHCOBVKEF-OAGGEKHMSA-N 1 1 346.435 0.064 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070085841 790554374 /nfs/dbraw/zinc/55/43/74/790554374.db2.gz VPYKYCHCOBVKEF-OAGGEKHMSA-N 1 1 346.435 0.064 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080259916 777620256 /nfs/dbraw/zinc/62/02/56/777620256.db2.gz NICBISPMHLDXDW-UHOFOFEASA-N 1 1 326.400 0.631 20 30 ECEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001080287942 777648851 /nfs/dbraw/zinc/64/88/51/777648851.db2.gz BWWJNKRZSUYHMD-KBAYOESNSA-N 1 1 339.439 0.953 20 30 ECEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001080287942 777648856 /nfs/dbraw/zinc/64/88/56/777648856.db2.gz BWWJNKRZSUYHMD-KBAYOESNSA-N 1 1 339.439 0.953 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080322551 777684052 /nfs/dbraw/zinc/68/40/52/777684052.db2.gz HPEJWLKXMYWBHM-QGZVFWFLSA-N 1 1 349.475 0.958 20 30 ECEDMO C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080322551 777684054 /nfs/dbraw/zinc/68/40/54/777684054.db2.gz HPEJWLKXMYWBHM-QGZVFWFLSA-N 1 1 349.475 0.958 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001043118533 777761655 /nfs/dbraw/zinc/76/16/55/777761655.db2.gz ZMMQWUSAWZPUPQ-AWEZNQCLSA-N 1 1 335.448 0.374 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CCCC1 ZINC001043119763 777765278 /nfs/dbraw/zinc/76/52/78/777765278.db2.gz CSXFFLOMJQNAPT-HNNXBMFYSA-N 1 1 349.475 0.764 20 30 ECEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043133989 777798409 /nfs/dbraw/zinc/79/84/09/777798409.db2.gz YDKKESNRLZAYEJ-OLZOCXBDSA-N 1 1 334.420 0.339 20 30 ECEDMO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001080415712 777819688 /nfs/dbraw/zinc/81/96/88/777819688.db2.gz BPOQOEZYBFWYOQ-ZFWWWQNUSA-N 1 1 346.435 0.032 20 30 ECEDMO C#CCCCC(=O)NC1(CNC(=O)C[N@H+](C)CCC)CCOCC1 ZINC001070092051 790573771 /nfs/dbraw/zinc/57/37/71/790573771.db2.gz NBICJUGMTSGQHY-UHFFFAOYSA-N 1 1 337.464 0.913 20 30 ECEDMO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001080532271 777971066 /nfs/dbraw/zinc/97/10/66/777971066.db2.gz CHMPIEBOQLEDIT-UHFFFAOYSA-N 1 1 331.420 0.901 20 30 ECEDMO C=CCCOCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001080557633 778024714 /nfs/dbraw/zinc/02/47/14/778024714.db2.gz BLXKHEAPFYAWQH-HOCLYGCPSA-N 1 1 337.464 0.836 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C)nc2)[C@@H](n2ccnn2)C1 ZINC001070096027 790592447 /nfs/dbraw/zinc/59/24/47/790592447.db2.gz DTRYAUOAJNHNLX-SJORKVTESA-N 1 1 338.415 0.589 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)CC[N@H+](C)CCC)C2)CCC1 ZINC001043348222 778201597 /nfs/dbraw/zinc/20/15/97/778201597.db2.gz MPFZDKYGRIRQBH-UHFFFAOYSA-N 1 1 349.475 0.601 20 30 ECEDMO C#CCC1(C(=O)NCC2(O)CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CCC1 ZINC001043349225 778204646 /nfs/dbraw/zinc/20/46/46/778204646.db2.gz HLZLCWKJZUCGLA-OAHLLOKOSA-N 1 1 347.459 0.211 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 ZINC001043415076 778290424 /nfs/dbraw/zinc/29/04/24/778290424.db2.gz NKIZUHKJGDFYGI-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001043435967 778330836 /nfs/dbraw/zinc/33/08/36/778330836.db2.gz OTLDOKLLGVCPKG-UKRRQHHQSA-N 1 1 344.415 0.138 20 30 ECEDMO C=CCn1cccc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001043528520 778475964 /nfs/dbraw/zinc/47/59/64/778475964.db2.gz WSERQLDHHVSHGG-HNNXBMFYSA-N 1 1 346.431 0.071 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001043606444 778581066 /nfs/dbraw/zinc/58/10/66/778581066.db2.gz QBKCCNUOHRJUIE-ZBFHGGJFSA-N 1 1 347.459 0.210 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001043606444 778581069 /nfs/dbraw/zinc/58/10/69/778581069.db2.gz QBKCCNUOHRJUIE-ZBFHGGJFSA-N 1 1 347.459 0.210 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 ZINC001068588519 790644178 /nfs/dbraw/zinc/64/41/78/790644178.db2.gz IKYWOMKRGFGIKU-SYQHCUMBSA-N 1 1 328.420 0.853 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNc3cncc(C#N)n3)C2)C1 ZINC001068591191 790654614 /nfs/dbraw/zinc/65/46/14/790654614.db2.gz JYGYAUBXLSUHFH-IHRRRGAJSA-N 1 1 328.420 0.997 20 30 ECEDMO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043769409 778839611 /nfs/dbraw/zinc/83/96/11/778839611.db2.gz HJVNXXLFVXZFBJ-INIZCTEOSA-N 1 1 349.475 0.929 20 30 ECEDMO C=CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)CCC1 ZINC001043771745 778846629 /nfs/dbraw/zinc/84/66/29/778846629.db2.gz YCZUEEXLRGZCSN-OAHLLOKOSA-N 1 1 349.475 0.907 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)C#CC3CC3)CCOCC2)C1 ZINC001070122165 790682899 /nfs/dbraw/zinc/68/28/99/790682899.db2.gz OIIHNTSJRWSIOY-OAHLLOKOSA-N 1 1 333.432 0.133 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068610144 790700936 /nfs/dbraw/zinc/70/09/36/790700936.db2.gz BYOSWUYJKRGNCL-KKUMJFAQSA-N 1 1 342.447 0.951 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@H](C)C#N)O2 ZINC001068620745 790730848 /nfs/dbraw/zinc/73/08/48/790730848.db2.gz QZNJXGRTCGHION-ZIAGYGMSSA-N 1 1 336.436 0.364 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3(N4CCOCC4)CCC3)C[C@H]21 ZINC001042295514 780013140 /nfs/dbraw/zinc/01/31/40/780013140.db2.gz SDCUIZSKMXSKSE-DLBZAZTESA-N 1 1 331.460 0.797 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]21 ZINC001042301335 780022805 /nfs/dbraw/zinc/02/28/05/780022805.db2.gz GKZCBDGJTXOTAM-ZIAGYGMSSA-N 1 1 348.447 0.816 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC001042301681 780023245 /nfs/dbraw/zinc/02/32/45/780023245.db2.gz LXRUDRCLLDKOEB-KGLIPLIRSA-N 1 1 348.447 0.816 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]2CC[N@@H+](CC(N)=O)[C@@H]2C1 ZINC001042326338 780077013 /nfs/dbraw/zinc/07/70/13/780077013.db2.gz NXILDECAMGAZLM-DOTOQJQBSA-N 1 1 325.412 0.619 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CC[C@@H]2CC[N@H+](CC(N)=O)[C@@H]2C1 ZINC001042326338 780077019 /nfs/dbraw/zinc/07/70/19/780077019.db2.gz NXILDECAMGAZLM-DOTOQJQBSA-N 1 1 325.412 0.619 20 30 ECEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)C[C@@H]21 ZINC001042333860 780089222 /nfs/dbraw/zinc/08/92/22/780089222.db2.gz QOYMGOLWETUPLE-GJZGRUSLSA-N 1 1 338.415 0.911 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001042344712 780107924 /nfs/dbraw/zinc/10/79/24/780107924.db2.gz ADIJHJTULBQTOJ-NEPJUHHUSA-N 1 1 340.811 0.214 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001042344712 780107929 /nfs/dbraw/zinc/10/79/29/780107929.db2.gz ADIJHJTULBQTOJ-NEPJUHHUSA-N 1 1 340.811 0.214 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]21 ZINC001042362677 780147162 /nfs/dbraw/zinc/14/71/62/780147162.db2.gz LGXGPEKUVSOLRI-BBRMVZONSA-N 1 1 326.400 0.740 20 30 ECEDMO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@H]21 ZINC001042362312 780147171 /nfs/dbraw/zinc/14/71/71/780147171.db2.gz JKEGHNKXJLADFC-DZGCQCFKSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001042375379 780164147 /nfs/dbraw/zinc/16/41/47/780164147.db2.gz WFYGTDWDWJLIDC-NVXWUHKLSA-N 1 1 325.412 0.884 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001042378916 780172140 /nfs/dbraw/zinc/17/21/40/780172140.db2.gz CABKZRZVCKSCEK-CJNGLKHVSA-N 1 1 326.400 0.740 20 30 ECEDMO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042510428 780368155 /nfs/dbraw/zinc/36/81/55/780368155.db2.gz JPTMCENFIJIKNL-VNHYZAJKSA-N 1 1 328.420 0.773 20 30 ECEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2COCCO2)C1 ZINC001079126908 780784874 /nfs/dbraw/zinc/78/48/74/780784874.db2.gz GFTXQUNAMBEONQ-KURKYZTESA-N 1 1 346.427 0.662 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2COCCO2)C1 ZINC001079126908 780784878 /nfs/dbraw/zinc/78/48/78/780784878.db2.gz GFTXQUNAMBEONQ-KURKYZTESA-N 1 1 346.427 0.662 20 30 ECEDMO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001042776326 780795904 /nfs/dbraw/zinc/79/59/04/780795904.db2.gz KXPZEQJEDXXSJT-VNQPRFMTSA-N 1 1 329.404 0.367 20 30 ECEDMO C=CCCCC(=O)NCCCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001079164628 780845287 /nfs/dbraw/zinc/84/52/87/780845287.db2.gz LTWFWDGUJQWIET-UHFFFAOYSA-N 1 1 338.452 0.259 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cccc(F)c1 ZINC001079196243 780870844 /nfs/dbraw/zinc/87/08/44/780870844.db2.gz FNUIWVZKYYFROE-QWHCGFSZSA-N 1 1 325.771 0.948 20 30 ECEDMO CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001042835423 780914011 /nfs/dbraw/zinc/91/40/11/780914011.db2.gz GQUJMKOWSSDLQB-BZUAXINKSA-N 1 1 343.431 0.533 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079399940 781077083 /nfs/dbraw/zinc/07/70/83/781077083.db2.gz GPHKXUZVVDKLNK-IUODEOHRSA-N 1 1 325.376 0.181 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079399940 781077091 /nfs/dbraw/zinc/07/70/91/781077091.db2.gz GPHKXUZVVDKLNK-IUODEOHRSA-N 1 1 325.376 0.181 20 30 ECEDMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 ZINC001042943542 781078151 /nfs/dbraw/zinc/07/81/51/781078151.db2.gz SLGQWDDUGVAZPG-HNNXBMFYSA-N 1 1 335.448 0.210 20 30 ECEDMO O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001042964622 781109491 /nfs/dbraw/zinc/10/94/91/781109491.db2.gz LJMQRZXGQSHSLL-JKSUJKDBSA-N 1 1 345.443 0.106 20 30 ECEDMO CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042977509 781127305 /nfs/dbraw/zinc/12/73/05/781127305.db2.gz LYHSPTSOYMHRFU-NWANDNLSSA-N 1 1 344.419 0.152 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001079502579 781195096 /nfs/dbraw/zinc/19/50/96/781195096.db2.gz ZPXNABVPZBOWAD-WQVCFCJDSA-N 1 1 346.431 0.749 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3cc(C)on3)C2)C1=O ZINC001079502579 781195106 /nfs/dbraw/zinc/19/51/06/781195106.db2.gz ZPXNABVPZBOWAD-WQVCFCJDSA-N 1 1 346.431 0.749 20 30 ECEDMO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001043044323 781238145 /nfs/dbraw/zinc/23/81/45/781238145.db2.gz WQXRKFCZWVFTOC-INIZCTEOSA-N 1 1 349.475 0.742 20 30 ECEDMO C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079538069 781238327 /nfs/dbraw/zinc/23/83/27/781238327.db2.gz PLGYYVVBBOSXQL-XJKCOSOUSA-N 1 1 343.431 0.853 20 30 ECEDMO C=CCOCCCC(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079552643 781257683 /nfs/dbraw/zinc/25/76/83/781257683.db2.gz IESKEYYVDTZEIJ-HNNXBMFYSA-N 1 1 337.464 0.980 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)C1=O ZINC001079563145 781267311 /nfs/dbraw/zinc/26/73/11/781267311.db2.gz SWYUVSPWFXFIRG-YUELXQCFSA-N 1 1 344.415 0.624 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079598665 781304540 /nfs/dbraw/zinc/30/45/40/781304540.db2.gz KMXUXRAIKZLARC-ZTFGCOKTSA-N 1 1 342.443 0.825 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079598665 781304544 /nfs/dbraw/zinc/30/45/44/781304544.db2.gz KMXUXRAIKZLARC-ZTFGCOKTSA-N 1 1 342.443 0.825 20 30 ECEDMO CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001079601271 781307313 /nfs/dbraw/zinc/30/73/13/781307313.db2.gz QSRJVFVQQNVKCL-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O ZINC001079601271 781307320 /nfs/dbraw/zinc/30/73/20/781307320.db2.gz QSRJVFVQQNVKCL-DFBGVHRSSA-N 1 1 329.404 0.557 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC001041378861 781392371 /nfs/dbraw/zinc/39/23/71/781392371.db2.gz MOERWBLXJOKMTF-SFHVURJKSA-N 1 1 328.416 0.975 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)c1 ZINC001077648429 781422737 /nfs/dbraw/zinc/42/27/37/781422737.db2.gz KBUJUBHVEXRBBE-KZNAEPCWSA-N 1 1 343.427 0.797 20 30 ECEDMO Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1C#N ZINC001041397114 781431705 /nfs/dbraw/zinc/43/17/05/781431705.db2.gz QFQSYKVLDGWVCT-HBJVGIJOSA-N 1 1 349.460 0.329 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001041418770 781466895 /nfs/dbraw/zinc/46/68/95/781466895.db2.gz OCLFYXZXEWKEPL-GOSISDBHSA-N 1 1 334.464 0.261 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001041430353 781491794 /nfs/dbraw/zinc/49/17/94/781491794.db2.gz DIZAHFSPDHCHPB-HOTGVXAUSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001041430353 781491802 /nfs/dbraw/zinc/49/18/02/781491802.db2.gz DIZAHFSPDHCHPB-HOTGVXAUSA-N 1 1 345.443 0.130 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(S(N)(=O)=O)o3)C2)C1 ZINC001041436089 781509814 /nfs/dbraw/zinc/50/98/14/781509814.db2.gz ASFGKONGCTZIJE-OAHLLOKOSA-N 1 1 337.401 0.098 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1O ZINC001077697965 781537704 /nfs/dbraw/zinc/53/77/04/781537704.db2.gz KKSWVBYHZQYKQT-VQHPVUNQSA-N 1 1 348.447 0.198 20 30 ECEDMO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041452093 781545584 /nfs/dbraw/zinc/54/55/84/781545584.db2.gz SADBRHWIGUQFRW-RDJZCZTQSA-N 1 1 338.473 0.759 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3OCC(N)=O)C2)C1 ZINC001041456419 781552807 /nfs/dbraw/zinc/55/28/07/781552807.db2.gz YAGOJGRBHFPIFT-IBGZPJMESA-N 1 1 341.411 0.722 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001077754769 781648551 /nfs/dbraw/zinc/64/85/51/781648551.db2.gz SBWQFWDFIVDQEQ-QZTJIDSGSA-N 1 1 325.412 0.861 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2-c2ccccc2)C1 ZINC001077756985 781652137 /nfs/dbraw/zinc/65/21/37/781652137.db2.gz QJDLIFIMQFUELO-GDBMZVCRSA-N 1 1 327.388 0.618 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn(CC(C)C)c2=O)C1 ZINC001077785899 781691332 /nfs/dbraw/zinc/69/13/32/781691332.db2.gz USQYNRFAUWRSAP-HZPDHXFCSA-N 1 1 333.432 0.855 20 30 ECEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001077795121 781708109 /nfs/dbraw/zinc/70/81/09/781708109.db2.gz AURAQGFMGWVNQU-BZUAXINKSA-N 1 1 328.412 0.910 20 30 ECEDMO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2NC(C)=O)C1 ZINC001077859606 781827808 /nfs/dbraw/zinc/82/78/08/781827808.db2.gz NZWRUNSBQMQXCW-IAGOWNOFSA-N 1 1 331.416 0.925 20 30 ECEDMO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001040729480 783341166 /nfs/dbraw/zinc/34/11/66/783341166.db2.gz QDUCFRLORKXTMF-CRAIPNDOSA-N 1 1 337.464 0.764 20 30 ECEDMO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001040729773 783341783 /nfs/dbraw/zinc/34/17/83/783341783.db2.gz SPWPRZVHHBXXAA-OALUTQOASA-N 1 1 349.475 0.908 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001040764564 783388088 /nfs/dbraw/zinc/38/80/88/783388088.db2.gz XOEJCUBCRVMLEJ-DZGCQCFKSA-N 1 1 337.387 0.591 20 30 ECEDMO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001040047654 783437304 /nfs/dbraw/zinc/43/73/04/783437304.db2.gz MTIYUOQOEMJHEB-QAPCUYQASA-N 1 1 337.464 0.907 20 30 ECEDMO C=CCCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040811203 783484410 /nfs/dbraw/zinc/48/44/10/783484410.db2.gz BHNZXSVXYKERIC-DNVCBOLYSA-N 1 1 349.475 0.764 20 30 ECEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001040096598 783532275 /nfs/dbraw/zinc/53/22/75/783532275.db2.gz QJJAUFKBMBJPES-VQIMIIECSA-N 1 1 347.459 0.354 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1n1ccnn1 ZINC001070163033 783569979 /nfs/dbraw/zinc/56/99/79/783569979.db2.gz MYAVFWWETVMUHB-MNOVXSKESA-N 1 1 348.798 0.058 20 30 ECEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001070212354 783667423 /nfs/dbraw/zinc/66/74/23/783667423.db2.gz GDLJUMOOWFPXGJ-XOUADPBQSA-N 1 1 341.419 0.723 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001070284788 783789747 /nfs/dbraw/zinc/78/97/47/783789747.db2.gz VCUPRGWDGFOOTG-OLZOCXBDSA-N 1 1 335.799 0.338 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@@H]1n1ccnn1 ZINC001070318769 783825701 /nfs/dbraw/zinc/82/57/01/783825701.db2.gz HLMHSGDEASAJGV-OLZOCXBDSA-N 1 1 349.826 0.971 20 30 ECEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1n1ccnn1 ZINC001070321241 783828086 /nfs/dbraw/zinc/82/80/86/783828086.db2.gz ZEAVRCVGSNHFEI-OLZOCXBDSA-N 1 1 348.794 0.787 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070332702 783840893 /nfs/dbraw/zinc/84/08/93/783840893.db2.gz QSMTYSOBQVUBSG-IXDOHACOSA-N 1 1 344.463 0.373 20 30 ECEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCCN2C)CC1 ZINC001070367530 783902951 /nfs/dbraw/zinc/90/29/51/783902951.db2.gz ZJUDQHNLBMWJEX-RYRKJORJSA-N 1 1 348.491 0.742 20 30 ECEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2C[C@@H]2CCc3ncnn32)c1 ZINC001038147272 783916810 /nfs/dbraw/zinc/91/68/10/783916810.db2.gz VRHFROBUFKIZSY-OLZOCXBDSA-N 1 1 325.376 0.469 20 30 ECEDMO C=CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001070387457 783934941 /nfs/dbraw/zinc/93/49/41/783934941.db2.gz QOIQIOHSSDWTFQ-GJZGRUSLSA-N 1 1 344.415 0.616 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038177075 783953482 /nfs/dbraw/zinc/95/34/82/783953482.db2.gz HTSMQHXYTVLWCV-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038177075 783953489 /nfs/dbraw/zinc/95/34/89/783953489.db2.gz HTSMQHXYTVLWCV-IRXDYDNUSA-N 1 1 328.416 0.579 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001070403369 783979380 /nfs/dbraw/zinc/97/93/80/783979380.db2.gz QYFCVWRIWMIAAN-GDBMZVCRSA-N 1 1 345.447 0.169 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001070403370 783979644 /nfs/dbraw/zinc/97/96/44/783979644.db2.gz QYFCVWRIWMIAAN-GOEBONIOSA-N 1 1 345.447 0.169 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnnn2CC)C1 ZINC001070409675 783997234 /nfs/dbraw/zinc/99/72/34/783997234.db2.gz JTIHRTHHRHOGSP-GFCCVEGCSA-N 1 1 327.392 0.374 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nn(C)cc2C)C1 ZINC001070409750 783997282 /nfs/dbraw/zinc/99/72/82/783997282.db2.gz LHCSWRUCEPHPFM-ZDUSSCGKSA-N 1 1 326.404 0.804 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CC)C1 ZINC001070413241 784008325 /nfs/dbraw/zinc/00/83/25/784008325.db2.gz XVHDHUHSGNOXNY-HOCLYGCPSA-N 1 1 329.448 0.933 20 30 ECEDMO C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001070413185 784008592 /nfs/dbraw/zinc/00/85/92/784008592.db2.gz WCLZTJMLTKPMBN-GXTWGEPZSA-N 1 1 331.420 0.670 20 30 ECEDMO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001070417763 784021039 /nfs/dbraw/zinc/02/10/39/784021039.db2.gz BDYQPWAEWQTGEO-UONOGXRCSA-N 1 1 345.447 0.918 20 30 ECEDMO C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001070435509 784064696 /nfs/dbraw/zinc/06/46/96/784064696.db2.gz ITAWTLFDFPYSIT-GFCCVEGCSA-N 1 1 344.419 0.352 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)c1cn[nH]c1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441237 784079860 /nfs/dbraw/zinc/07/98/60/784079860.db2.gz QZEOANKZJLNOBX-CYBMUJFWSA-N 1 1 327.392 0.564 20 30 ECEDMO COCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)C[C@H]2c1nnc(C)[nH]1 ZINC001070442238 784083786 /nfs/dbraw/zinc/08/37/86/784083786.db2.gz FRGXQWPQJVCMRX-YPMHNXCESA-N 1 1 332.408 0.147 20 30 ECEDMO C=CC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)OC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442170 784084363 /nfs/dbraw/zinc/08/43/63/784084363.db2.gz DEFHWDRIQHVTOO-KGLIPLIRSA-N 1 1 333.436 0.952 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070905954 784088883 /nfs/dbraw/zinc/08/88/83/784088883.db2.gz OJFNBUKTWCUYAM-KFWWJZLASA-N 1 1 345.403 0.705 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070911921 784102174 /nfs/dbraw/zinc/10/21/74/784102174.db2.gz OMDOOQHHUQQEEA-MCIONIFRSA-N 1 1 345.403 0.705 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070911921 784102176 /nfs/dbraw/zinc/10/21/76/784102176.db2.gz OMDOOQHHUQQEEA-MCIONIFRSA-N 1 1 345.403 0.705 20 30 ECEDMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913591 784104897 /nfs/dbraw/zinc/10/48/97/784104897.db2.gz QRYVKFXWQOEGJO-OAGGEKHMSA-N 1 1 331.416 0.914 20 30 ECEDMO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001070917036 784109249 /nfs/dbraw/zinc/10/92/49/784109249.db2.gz HNGATFWYAMNXLK-OAHLLOKOSA-N 1 1 337.464 0.864 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(C(=O)CSCC#N)C2)C1 ZINC001070452273 784115634 /nfs/dbraw/zinc/11/56/34/784115634.db2.gz DYRGBKBVKHAYQS-UONOGXRCSA-N 1 1 338.477 0.692 20 30 ECEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001070469665 784146364 /nfs/dbraw/zinc/14/63/64/784146364.db2.gz HKYQXFMYYDTAMQ-XJKSGUPXSA-N 1 1 326.404 0.537 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cn2cccn2)CC1 ZINC001070939385 784168253 /nfs/dbraw/zinc/16/82/53/784168253.db2.gz IOVMBFFAAXYWLD-UHFFFAOYSA-N 1 1 333.436 0.500 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001070493264 784187078 /nfs/dbraw/zinc/18/70/78/784187078.db2.gz RDWDAGXNWGZQMO-SOLBZPMBSA-N 1 1 341.459 0.279 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)/C=C/c2ccc[nH]2)CC1 ZINC001070959903 784231658 /nfs/dbraw/zinc/23/16/58/784231658.db2.gz NDQDYDMQHSQIAN-VOTSOKGWSA-N 1 1 328.416 0.702 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)/C=C/c2ccc[nH]2)CC1 ZINC001070959903 784231666 /nfs/dbraw/zinc/23/16/66/784231666.db2.gz NDQDYDMQHSQIAN-VOTSOKGWSA-N 1 1 328.416 0.702 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2nn(C)cc2C)CC1 ZINC001070963618 784245161 /nfs/dbraw/zinc/24/51/61/784245161.db2.gz ZSFHJBCZCHRLEG-UHFFFAOYSA-N 1 1 347.463 0.959 20 30 ECEDMO C#CCN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001070555811 784268769 /nfs/dbraw/zinc/26/87/69/784268769.db2.gz UTEOHYLLVSLDCM-GOEBONIOSA-N 1 1 327.432 0.033 20 30 ECEDMO C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001070976959 784294632 /nfs/dbraw/zinc/29/46/32/784294632.db2.gz XDJJCWVNIFIHMR-QGZVFWFLSA-N 1 1 348.491 0.391 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC001070996002 784355856 /nfs/dbraw/zinc/35/58/56/784355856.db2.gz DDNORXLYLREAFD-JKSUJKDBSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC001070996002 784355868 /nfs/dbraw/zinc/35/58/68/784355868.db2.gz DDNORXLYLREAFD-JKSUJKDBSA-N 1 1 335.448 0.333 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)[C@H]2CCCO2)CC1 ZINC001070997697 784361651 /nfs/dbraw/zinc/36/16/51/784361651.db2.gz VLHNMEBVCXGNFI-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)[C@H]2CCCO2)CC1 ZINC001070997697 784361660 /nfs/dbraw/zinc/36/16/60/784361660.db2.gz VLHNMEBVCXGNFI-HZPDHXFCSA-N 1 1 335.448 0.475 20 30 ECEDMO C=C(C)CN1CCNC(=O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001071000000 784367820 /nfs/dbraw/zinc/36/78/20/784367820.db2.gz JKAIIIQNAKVCNN-JKSUJKDBSA-N 1 1 336.480 0.411 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CC)CC2)cc1 ZINC001071007343 784391397 /nfs/dbraw/zinc/39/13/97/784391397.db2.gz LDHDXXJDJLMNGQ-UHFFFAOYSA-N 1 1 343.427 0.983 20 30 ECEDMO C#CCOc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CC)CC2)cc1 ZINC001071007343 784391404 /nfs/dbraw/zinc/39/14/04/784391404.db2.gz LDHDXXJDJLMNGQ-UHFFFAOYSA-N 1 1 343.427 0.983 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C2=COCCO2)n1 ZINC001070594859 784403254 /nfs/dbraw/zinc/40/32/54/784403254.db2.gz UPPHKOQKMMAXAY-KBPBESRZSA-N 1 1 346.387 0.432 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc[nH]n2)n1 ZINC001070599242 784411542 /nfs/dbraw/zinc/41/15/42/784411542.db2.gz PONJDJZSAGIHFY-STQMWFEESA-N 1 1 345.407 0.919 20 30 ECEDMO C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nonc2C)n1 ZINC001070600195 784415753 /nfs/dbraw/zinc/41/57/53/784415753.db2.gz ICQCAJNXGUKTRW-STQMWFEESA-N 1 1 344.375 0.549 20 30 ECEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)COc2ccsc2)CC1 ZINC001071015548 784421045 /nfs/dbraw/zinc/42/10/45/784421045.db2.gz JMOCZGYEHPOXIS-UHFFFAOYSA-N 1 1 349.456 0.801 20 30 ECEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)COc2ccsc2)CC1 ZINC001071015548 784421050 /nfs/dbraw/zinc/42/10/50/784421050.db2.gz JMOCZGYEHPOXIS-UHFFFAOYSA-N 1 1 349.456 0.801 20 30 ECEDMO C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2n[nH]nc2C)n1 ZINC001070604620 784423958 /nfs/dbraw/zinc/42/39/58/784423958.db2.gz PYWIUFSAMBFMPP-QWHCGFSZSA-N 1 1 345.407 0.837 20 30 ECEDMO C=C(C)C[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2cn[nH]n2)n1 ZINC001070604737 784424672 /nfs/dbraw/zinc/42/46/72/784424672.db2.gz XATVHUODRIQXAV-QWHCGFSZSA-N 1 1 345.407 0.919 20 30 ECEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC001071020540 784438706 /nfs/dbraw/zinc/43/87/06/784438706.db2.gz IIWBGRLTSCJVHX-UHFFFAOYSA-N 1 1 347.463 0.796 20 30 ECEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001070622869 784451635 /nfs/dbraw/zinc/45/16/35/784451635.db2.gz AGLIRULUGGEVTO-CQSZACIVSA-N 1 1 331.420 0.949 20 30 ECEDMO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2nonc2C)CC1 ZINC001071025857 784454941 /nfs/dbraw/zinc/45/49/41/784454941.db2.gz ZUWXMMBSTMLAOH-UHFFFAOYSA-N 1 1 335.408 0.608 20 30 ECEDMO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2nonc2C)CC1 ZINC001071025857 784454944 /nfs/dbraw/zinc/45/49/44/784454944.db2.gz ZUWXMMBSTMLAOH-UHFFFAOYSA-N 1 1 335.408 0.608 20 30 ECEDMO C[C@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnon2)CC1 ZINC001071044056 784474914 /nfs/dbraw/zinc/47/49/14/784474914.db2.gz DWXNGJGZXSMTDT-DFBGVHRSSA-N 1 1 333.392 0.715 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001070673095 784530619 /nfs/dbraw/zinc/53/06/19/784530619.db2.gz XJWPJUUBXKNMGE-RHSMWYFYSA-N 1 1 325.453 0.761 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001070672981 784530890 /nfs/dbraw/zinc/53/08/90/784530890.db2.gz UJKKBDQNVCHGBP-RHSMWYFYSA-N 1 1 325.453 0.763 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@H](C)O2 ZINC001071134506 784579425 /nfs/dbraw/zinc/57/94/25/784579425.db2.gz STXAFKOZKXYKML-YJBOKZPZSA-N 1 1 335.448 0.877 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cccn1)C[C@@H](C)O2 ZINC001071138458 784585136 /nfs/dbraw/zinc/58/51/36/784585136.db2.gz FEUWAZJDEXCWMD-SJLPKXTDSA-N 1 1 330.432 0.988 20 30 ECEDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)C1 ZINC001071148739 784605261 /nfs/dbraw/zinc/60/52/61/784605261.db2.gz ZPGNONMNZABRRX-IAGOWNOFSA-N 1 1 347.459 0.616 20 30 ECEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)C1 ZINC001071148739 784605265 /nfs/dbraw/zinc/60/52/65/784605265.db2.gz ZPGNONMNZABRRX-IAGOWNOFSA-N 1 1 347.459 0.616 20 30 ECEDMO COCC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C#N)c1)C[C@H](C)O2 ZINC001071149437 784606825 /nfs/dbraw/zinc/60/68/25/784606825.db2.gz MEWSYDOLPVRXIX-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO COCC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccc(C#N)[nH]1)C[C@H](C)O2 ZINC001071156006 784618995 /nfs/dbraw/zinc/61/89/95/784618995.db2.gz AFNYNZGOPOSYAW-SUMWQHHRSA-N 1 1 332.404 0.838 20 30 ECEDMO C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@H](C)O2 ZINC001071159595 784627167 /nfs/dbraw/zinc/62/71/67/784627167.db2.gz OKJGNNMFSRASQR-GUYCJALGSA-N 1 1 335.404 0.860 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@H+](CC(=O)NC3CC3)C2)O1 ZINC001071166054 784640320 /nfs/dbraw/zinc/64/03/20/784640320.db2.gz BFMQAJNCCFCZDC-LIRRHRJNSA-N 1 1 345.443 0.370 20 30 ECEDMO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CC[N@@H+](CC(=O)NC3CC3)C2)O1 ZINC001071166054 784640323 /nfs/dbraw/zinc/64/03/23/784640323.db2.gz BFMQAJNCCFCZDC-LIRRHRJNSA-N 1 1 345.443 0.370 20 30 ECEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc(C)[nH]1)C[C@@H](C)O2 ZINC001071166831 784642403 /nfs/dbraw/zinc/64/24/03/784642403.db2.gz ORRBMBIGJDFTKN-CXAGYDPISA-N 1 1 333.436 0.924 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@H+](CC(=O)N(C)C)C2)O1 ZINC001071167162 784644407 /nfs/dbraw/zinc/64/44/07/784644407.db2.gz UTYVTOGJCFAMAB-RDTXWAMCSA-N 1 1 333.432 0.180 20 30 ECEDMO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)O1 ZINC001071167162 784644415 /nfs/dbraw/zinc/64/44/15/784644415.db2.gz UTYVTOGJCFAMAB-RDTXWAMCSA-N 1 1 333.432 0.180 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(OC)ncn1)C[C@H](C)O2 ZINC001071169070 784648478 /nfs/dbraw/zinc/64/84/78/784648478.db2.gz LRVVHXPGQHMSBH-KBXCAEBGSA-N 1 1 344.415 0.814 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCO3)C[C@@H](C)O2 ZINC001071175513 784663324 /nfs/dbraw/zinc/66/33/24/784663324.db2.gz FVCNHOQZZHKXCX-RDTXWAMCSA-N 1 1 344.415 0.604 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnc[nH]c1=O)C[C@H](C)O2 ZINC001071180857 784679141 /nfs/dbraw/zinc/67/91/41/784679141.db2.gz SGITZLAXTPNKTC-GUYCJALGSA-N 1 1 330.388 0.511 20 30 ECEDMO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)C[C@H](C)O2 ZINC001071183494 784684187 /nfs/dbraw/zinc/68/41/87/784684187.db2.gz OZEZXISEKJJAAY-QFBILLFUSA-N 1 1 347.459 0.714 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nc(C)cc1C)C[C@H](C)O2 ZINC001071189388 784694221 /nfs/dbraw/zinc/69/42/21/784694221.db2.gz KPJDEWYDCHMKQS-FUHWJXTLSA-N 1 1 330.432 0.825 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071189130 784694610 /nfs/dbraw/zinc/69/46/10/784694610.db2.gz GMECVBLOTKQZBE-KXBFYZLASA-N 1 1 343.427 0.714 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071189130 784694613 /nfs/dbraw/zinc/69/46/13/784694613.db2.gz GMECVBLOTKQZBE-KXBFYZLASA-N 1 1 343.427 0.714 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccc3nnnn3c1)C[C@@H](C)O2 ZINC001071191998 784703570 /nfs/dbraw/zinc/70/35/70/784703570.db2.gz KZJSTHGEIIETNI-DYVFJYSZSA-N 1 1 342.403 0.616 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1nc(C)no1)C[C@H](C)O2 ZINC001071196772 784714259 /nfs/dbraw/zinc/71/42/59/784714259.db2.gz IAYMNEFPPXMXQZ-GUYCJALGSA-N 1 1 332.404 0.636 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001071206994 784736707 /nfs/dbraw/zinc/73/67/07/784736707.db2.gz SSFPVGUZVMXHPT-MEDUHNTESA-N 1 1 348.428 0.297 20 30 ECEDMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001071206994 784736713 /nfs/dbraw/zinc/73/67/13/784736713.db2.gz SSFPVGUZVMXHPT-MEDUHNTESA-N 1 1 348.428 0.297 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001071206993 784737310 /nfs/dbraw/zinc/73/73/10/784737310.db2.gz SSFPVGUZVMXHPT-BZNIZROVSA-N 1 1 348.428 0.297 20 30 ECEDMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001071206993 784737315 /nfs/dbraw/zinc/73/73/15/784737315.db2.gz SSFPVGUZVMXHPT-BZNIZROVSA-N 1 1 348.428 0.297 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn(C)n1)C[C@H](C)O2 ZINC001071208970 784739949 /nfs/dbraw/zinc/73/99/49/784739949.db2.gz CAUBFAIGGFXXLH-WMLDXEAASA-N 1 1 331.420 0.073 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ccc(C)n1)C[C@H](C)O2 ZINC001071212424 784749111 /nfs/dbraw/zinc/74/91/11/784749111.db2.gz XJYRUHUXJUMWBF-FUHWJXTLSA-N 1 1 330.432 0.907 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CC(=O)NC)C3)C2)C1 ZINC001071212427 784749677 /nfs/dbraw/zinc/74/96/77/784749677.db2.gz XJZBWZNDKVMYEV-KBXCAEBGSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CC(C)(C(=O)N2C[C@H](C)O[C@@]3(CC[N@H+](CC(=O)NC)C3)C2)C1 ZINC001071212427 784749683 /nfs/dbraw/zinc/74/96/83/784749683.db2.gz XJZBWZNDKVMYEV-KBXCAEBGSA-N 1 1 335.448 0.781 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nnnc1C(C)C)C[C@@H](C)O2 ZINC001071218085 784761226 /nfs/dbraw/zinc/76/12/26/784761226.db2.gz IOWMULLCPSNDOV-PBHICJAKSA-N 1 1 346.435 0.122 20 30 ECEDMO C=CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001070871911 784776136 /nfs/dbraw/zinc/77/61/36/784776136.db2.gz HKOILBINHZQORF-HZPDHXFCSA-N 1 1 347.463 0.887 20 30 ECEDMO C=CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001070871910 784776174 /nfs/dbraw/zinc/77/61/74/784776174.db2.gz HKOILBINHZQORF-CVEARBPZSA-N 1 1 347.463 0.887 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(CC)nn1C)C[C@@H](C)O2 ZINC001071223125 784776824 /nfs/dbraw/zinc/77/68/24/784776824.db2.gz IWUDDHOXXRGOJF-RDTXWAMCSA-N 1 1 330.432 0.921 20 30 ECEDMO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)C[C@H](C)O2 ZINC001071223628 784777349 /nfs/dbraw/zinc/77/73/49/784777349.db2.gz RHGHFYLISYTPPY-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)C[C@H](C)O2 ZINC001071223628 784777352 /nfs/dbraw/zinc/77/73/52/784777352.db2.gz RHGHFYLISYTPPY-KSSFIOAISA-N 1 1 339.399 0.668 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@@H](C)O2 ZINC001071229825 784791085 /nfs/dbraw/zinc/79/10/85/784791085.db2.gz AQSPUHUTIAMXOJ-BEFAXECRSA-N 1 1 343.427 0.714 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)C[C@H](C)O2 ZINC001071231645 784796036 /nfs/dbraw/zinc/79/60/36/784796036.db2.gz SDXGJUNYQQPTIF-KBXCAEBGSA-N 1 1 329.400 0.324 20 30 ECEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@H](C)O2 ZINC001071233523 784798300 /nfs/dbraw/zinc/79/83/00/784798300.db2.gz KDVJCQALLLHYAE-SUMWQHHRSA-N 1 1 334.420 0.920 20 30 ECEDMO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1OC)C[C@H](C)O2 ZINC001071233836 784799170 /nfs/dbraw/zinc/79/91/70/784799170.db2.gz OHKWQYDDGHKIHI-KBXCAEBGSA-N 1 1 346.431 0.757 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)C[C@H](C)O2 ZINC001071240280 784811820 /nfs/dbraw/zinc/81/18/20/784811820.db2.gz CEAJXDYPLITXQM-YVEFUNNKSA-N 1 1 330.388 0.052 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C[C@@H](C)O2 ZINC001071244223 784822957 /nfs/dbraw/zinc/82/29/57/784822957.db2.gz RGCVUAALKFXJHY-KDOFPFPSSA-N 1 1 346.431 0.053 20 30 ECEDMO CC#CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C(=O)C1 ZINC001071258460 784863523 /nfs/dbraw/zinc/86/35/23/784863523.db2.gz HVRINFGNLHQADK-SJORKVTESA-N 1 1 346.475 0.239 20 30 ECEDMO C=CCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258735 784865167 /nfs/dbraw/zinc/86/51/67/784865167.db2.gz PQRLWZBULYQWSP-HZPDHXFCSA-N 1 1 334.464 0.402 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cccnn3)C2)C(=O)C1 ZINC001071275366 784914956 /nfs/dbraw/zinc/91/49/56/784914956.db2.gz DNFONKKKOKDRLB-HNNXBMFYSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cccnn3)C2)C(=O)C1 ZINC001071275366 784914959 /nfs/dbraw/zinc/91/49/59/784914959.db2.gz DNFONKKKOKDRLB-HNNXBMFYSA-N 1 1 343.431 0.802 20 30 ECEDMO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cnn(C)n3)C2)C(=O)C1 ZINC001071275759 784916514 /nfs/dbraw/zinc/91/65/14/784916514.db2.gz OVCHOKQFCOJGAC-CQSZACIVSA-N 1 1 346.435 0.140 20 30 ECEDMO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cnn(C)n3)C2)C(=O)C1 ZINC001071275759 784916516 /nfs/dbraw/zinc/91/65/16/784916516.db2.gz OVCHOKQFCOJGAC-CQSZACIVSA-N 1 1 346.435 0.140 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071414246 785062098 /nfs/dbraw/zinc/06/20/98/785062098.db2.gz RHRUNYPHJFSWHN-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1CC(=O)NC1CC1 ZINC001071414246 785062104 /nfs/dbraw/zinc/06/21/04/785062104.db2.gz RHRUNYPHJFSWHN-FZMZJTMJSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071430929 785077580 /nfs/dbraw/zinc/07/75/80/785077580.db2.gz HUMLRPQLPDISII-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1CC(=O)NC1CC1 ZINC001071430929 785077589 /nfs/dbraw/zinc/07/75/89/785077589.db2.gz HUMLRPQLPDISII-RISCZKNCSA-N 1 1 329.404 0.748 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071437901 785087370 /nfs/dbraw/zinc/08/73/70/785087370.db2.gz KVLUNVRXUNOJJZ-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1CC(=O)N1CCC1 ZINC001071437901 785087376 /nfs/dbraw/zinc/08/73/76/785087376.db2.gz KVLUNVRXUNOJJZ-OCCSQVGLSA-N 1 1 329.404 0.701 20 30 ECEDMO CC#CC[N@H+]1C[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)CC[C@@H]1C ZINC001071836046 785191747 /nfs/dbraw/zinc/19/17/47/785191747.db2.gz SFDLJCXALDUNBG-UONOGXRCSA-N 1 1 330.432 0.957 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071511137 785222593 /nfs/dbraw/zinc/22/25/93/785222593.db2.gz JTIGEVMOAPDPJG-NWDGAFQWSA-N 1 1 345.432 0.776 20 30 ECEDMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071511137 785222597 /nfs/dbraw/zinc/22/25/97/785222597.db2.gz JTIGEVMOAPDPJG-NWDGAFQWSA-N 1 1 345.432 0.776 20 30 ECEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)CC[C@@H]1C ZINC001071862042 785235122 /nfs/dbraw/zinc/23/51/22/785235122.db2.gz UUUZXWACZMXMAQ-STQMWFEESA-N 1 1 330.392 0.046 20 30 ECEDMO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001068764056 791096925 /nfs/dbraw/zinc/09/69/25/791096925.db2.gz ICEWRGVWJZMRTD-LSDHHAIUSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC001071623364 785408160 /nfs/dbraw/zinc/40/81/60/785408160.db2.gz VUOSAUSBMWTDHM-JQWIXIFHSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC001071623364 785408163 /nfs/dbraw/zinc/40/81/63/785408163.db2.gz VUOSAUSBMWTDHM-JQWIXIFHSA-N 1 1 325.390 0.143 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[C@@H]1C ZINC001071966938 785434156 /nfs/dbraw/zinc/43/41/56/785434156.db2.gz IUFLVLALEYMRGU-LSDHHAIUSA-N 1 1 345.447 0.374 20 30 ECEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)CC[C@@H]1C ZINC001071642453 785437412 /nfs/dbraw/zinc/43/74/12/785437412.db2.gz QNIJEDGGAJZCBW-HOCLYGCPSA-N 1 1 331.416 0.711 20 30 ECEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)CC[C@H]1C ZINC001071652008 785450414 /nfs/dbraw/zinc/45/04/14/785450414.db2.gz LQRMFRJQPPFOSW-DGCLKSJQSA-N 1 1 328.372 0.628 20 30 ECEDMO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)CC[C@H]1C ZINC001071652008 785450415 /nfs/dbraw/zinc/45/04/15/785450415.db2.gz LQRMFRJQPPFOSW-DGCLKSJQSA-N 1 1 328.372 0.628 20 30 ECEDMO CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC[C@H]1C ZINC001071989536 785487188 /nfs/dbraw/zinc/48/71/88/785487188.db2.gz QFFDZZPVYNZKDW-MNOVXSKESA-N 1 1 334.376 0.502 20 30 ECEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CC[C@H]1C ZINC001071720959 785584084 /nfs/dbraw/zinc/58/40/84/785584084.db2.gz KOZBNXPAFUKFNA-CABCVRRESA-N 1 1 341.415 0.488 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC[C@@H]1C ZINC001071725087 785593301 /nfs/dbraw/zinc/59/33/01/785593301.db2.gz QCWJNMRWVZCYLB-AAEUAGOBSA-N 1 1 344.423 0.853 20 30 ECEDMO C#CCC[N@@H+]1C[C@H](NC(=O)Cc2nc3ncccn3n2)CC[C@@H]1C ZINC001072072745 785622110 /nfs/dbraw/zinc/62/21/10/785622110.db2.gz OQHPAHBPRHUBCW-UONOGXRCSA-N 1 1 326.404 0.659 20 30 ECEDMO C#CCOCCC(=O)N1C[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H](C)C1 ZINC001072099972 785667590 /nfs/dbraw/zinc/66/75/90/785667590.db2.gz AIPLLOVMTGPSSN-HOTGVXAUSA-N 1 1 337.464 0.721 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C ZINC001072099879 785668045 /nfs/dbraw/zinc/66/80/45/785668045.db2.gz YTPGAFPSCWHAAR-CHWSQXEVSA-N 1 1 334.424 0.312 20 30 ECEDMO C=CCCOCC(=O)N1C[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001072338470 786043849 /nfs/dbraw/zinc/04/38/49/786043849.db2.gz DNYWBARQKCHUBV-ZFWWWQNUSA-N 1 1 334.420 0.747 20 30 ECEDMO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C[N@H+](C)CCC)C2)nc1 ZINC001072468244 786225868 /nfs/dbraw/zinc/22/58/68/786225868.db2.gz RKQDVZIAMPAOTN-PBHICJAKSA-N 1 1 342.443 0.981 20 30 ECEDMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001072479306 786247310 /nfs/dbraw/zinc/24/73/10/786247310.db2.gz VSTJDUKNKXLDCL-IUODEOHRSA-N 1 1 331.420 0.805 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cocn4)C3)C2)C1=O ZINC001072546885 786350416 /nfs/dbraw/zinc/35/04/16/786350416.db2.gz CSXQGXDZTLYTQG-CQSZACIVSA-N 1 1 330.388 0.609 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4c[nH]c(C)n4)C3)C2)C1=O ZINC001072550270 786353045 /nfs/dbraw/zinc/35/30/45/786353045.db2.gz TVWZLZXVMGHVFL-HNNXBMFYSA-N 1 1 343.431 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)c4cnc(C)[nH]4)C3)C2)C1=O ZINC001072550270 786353053 /nfs/dbraw/zinc/35/30/53/786353053.db2.gz TVWZLZXVMGHVFL-HNNXBMFYSA-N 1 1 343.431 0.653 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4cnc(C)[nH]4)C3)C2)C1=O ZINC001072550270 786353057 /nfs/dbraw/zinc/35/30/57/786353057.db2.gz TVWZLZXVMGHVFL-HNNXBMFYSA-N 1 1 343.431 0.653 20 30 ECEDMO COc1ccc(C#N)cc1C[N@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001072565357 786373293 /nfs/dbraw/zinc/37/32/93/786373293.db2.gz VIVWIJWWJIZUHW-UHFFFAOYSA-N 1 1 342.399 0.477 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3nnc(C)[nH]3)C[C@H]21 ZINC001074239025 786483496 /nfs/dbraw/zinc/48/34/96/786483496.db2.gz VETWNGLNFJJJFK-HUUCEWRRSA-N 1 1 333.436 0.924 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3nnc(C)[nH]3)C[C@H]21 ZINC001074239025 786483501 /nfs/dbraw/zinc/48/35/01/786483501.db2.gz VETWNGLNFJJJFK-HUUCEWRRSA-N 1 1 333.436 0.924 20 30 ECEDMO CC(C)C#CC(=O)N1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001073553823 786572934 /nfs/dbraw/zinc/57/29/34/786572934.db2.gz KYQOJPILEZPXRN-QGZVFWFLSA-N 1 1 346.475 0.095 20 30 ECEDMO C#CCN1CCO[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001074281973 786582859 /nfs/dbraw/zinc/58/28/59/786582859.db2.gz KSMNYVOTBQAONR-JKSUJKDBSA-N 1 1 332.404 0.285 20 30 ECEDMO C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)no1 ZINC001074281951 786582936 /nfs/dbraw/zinc/58/29/36/786582936.db2.gz KKLVGIJTHJGCFN-GJZGRUSLSA-N 1 1 333.392 0.175 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@H]21 ZINC001074341682 786713678 /nfs/dbraw/zinc/71/36/78/786713678.db2.gz WACMNJBWYBHCDT-HZPDHXFCSA-N 1 1 333.436 0.626 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@H]21 ZINC001074341682 786713680 /nfs/dbraw/zinc/71/36/80/786713680.db2.gz WACMNJBWYBHCDT-HZPDHXFCSA-N 1 1 333.436 0.626 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001073603768 786755611 /nfs/dbraw/zinc/75/56/11/786755611.db2.gz ODTVVLFEVLNEBD-JKSUJKDBSA-N 1 1 346.431 0.607 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@H]3CCOC3)nc2C)C1 ZINC001073603768 786755619 /nfs/dbraw/zinc/75/56/19/786755619.db2.gz ODTVVLFEVLNEBD-JKSUJKDBSA-N 1 1 346.431 0.607 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073630437 786816194 /nfs/dbraw/zinc/81/61/94/786816194.db2.gz VNDINTVBMRCSKR-CABCVRRESA-N 1 1 344.477 0.737 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073630437 786816199 /nfs/dbraw/zinc/81/61/99/786816199.db2.gz VNDINTVBMRCSKR-CABCVRRESA-N 1 1 344.477 0.737 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 ZINC001074401151 786859781 /nfs/dbraw/zinc/85/97/81/786859781.db2.gz YZTNZWIWDJMITE-HUUCEWRRSA-N 1 1 332.404 0.272 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 ZINC001074401151 786859791 /nfs/dbraw/zinc/85/97/91/786859791.db2.gz YZTNZWIWDJMITE-HUUCEWRRSA-N 1 1 332.404 0.272 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC(F)F)n2)C1 ZINC001073649330 786873244 /nfs/dbraw/zinc/87/32/44/786873244.db2.gz SKCDFCPVPVNPLM-LBPRGKRZSA-N 1 1 326.347 0.602 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC(F)F)n2)C1 ZINC001073649330 786873255 /nfs/dbraw/zinc/87/32/55/786873255.db2.gz SKCDFCPVPVNPLM-LBPRGKRZSA-N 1 1 326.347 0.602 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001073652108 786874731 /nfs/dbraw/zinc/87/47/31/786874731.db2.gz PMHMLWPPYMDWAE-CQSZACIVSA-N 1 1 344.419 0.830 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001073654930 786885605 /nfs/dbraw/zinc/88/56/05/786885605.db2.gz QZDCBRMWRAVLKY-GJZGRUSLSA-N 1 1 346.431 0.298 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 ZINC001073654930 786885620 /nfs/dbraw/zinc/88/56/20/786885620.db2.gz QZDCBRMWRAVLKY-GJZGRUSLSA-N 1 1 346.431 0.298 20 30 ECEDMO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 ZINC001074410159 786894443 /nfs/dbraw/zinc/89/44/43/786894443.db2.gz MZKQVZFWOCZJAI-GJZGRUSLSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 ZINC001074410159 786894448 /nfs/dbraw/zinc/89/44/48/786894448.db2.gz MZKQVZFWOCZJAI-GJZGRUSLSA-N 1 1 344.415 0.672 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001073664727 786912943 /nfs/dbraw/zinc/91/29/43/786912943.db2.gz NRPROBKEJFBOHT-HOTGVXAUSA-N 1 1 325.453 0.490 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001073667469 786917069 /nfs/dbraw/zinc/91/70/69/786917069.db2.gz HAEUZFRSLFMKQT-HOTGVXAUSA-N 1 1 330.432 0.676 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001073667264 786917452 /nfs/dbraw/zinc/91/74/52/786917452.db2.gz ASWSXCDEHMCXJD-UONOGXRCSA-N 1 1 349.435 0.329 20 30 ECEDMO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]21 ZINC001074417794 786919867 /nfs/dbraw/zinc/91/98/67/786919867.db2.gz UTGQHBHGZHIPJA-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]21 ZINC001074417794 786919872 /nfs/dbraw/zinc/91/98/72/786919872.db2.gz UTGQHBHGZHIPJA-JKSUJKDBSA-N 1 1 344.415 0.672 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001073687260 786970878 /nfs/dbraw/zinc/97/08/78/786970878.db2.gz NPFKRVAQKTYXPF-GJZGRUSLSA-N 1 1 336.436 0.008 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c(OC)ccnc2OC)C1 ZINC001073690630 786975668 /nfs/dbraw/zinc/97/56/68/786975668.db2.gz BXHMPEGSZUCIOQ-AWEZNQCLSA-N 1 1 347.415 0.943 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001073708944 787019110 /nfs/dbraw/zinc/01/91/10/787019110.db2.gz PPBUCOWRLDIHIT-HNNXBMFYSA-N 1 1 343.387 0.373 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001073708944 787019118 /nfs/dbraw/zinc/01/91/18/787019118.db2.gz PPBUCOWRLDIHIT-HNNXBMFYSA-N 1 1 343.387 0.373 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001073712918 787027230 /nfs/dbraw/zinc/02/72/30/787027230.db2.gz PBIOOGQSDGTPCM-LSDHHAIUSA-N 1 1 346.431 0.758 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001073713345 787031685 /nfs/dbraw/zinc/03/16/85/787031685.db2.gz YZUPBESKBODRIG-GJZGRUSLSA-N 1 1 348.472 0.952 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001073713345 787031693 /nfs/dbraw/zinc/03/16/93/787031693.db2.gz YZUPBESKBODRIG-GJZGRUSLSA-N 1 1 348.472 0.952 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)CCCO2)cc1 ZINC001073724480 787064437 /nfs/dbraw/zinc/06/44/37/787064437.db2.gz XBCIKCKAPDZWKN-KRWDZBQOSA-N 1 1 343.427 0.577 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)CCCO2)cc1 ZINC001073724480 787064449 /nfs/dbraw/zinc/06/44/49/787064449.db2.gz XBCIKCKAPDZWKN-KRWDZBQOSA-N 1 1 343.427 0.577 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001073726092 787067608 /nfs/dbraw/zinc/06/76/08/787067608.db2.gz CXJDKTFJXJWIME-AWEZNQCLSA-N 1 1 330.392 0.521 20 30 ECEDMO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073795860 787217257 /nfs/dbraw/zinc/21/72/57/787217257.db2.gz GTKAATYUVRZBEE-OAHLLOKOSA-N 1 1 342.461 0.042 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073795860 787217264 /nfs/dbraw/zinc/21/72/64/787217264.db2.gz GTKAATYUVRZBEE-OAHLLOKOSA-N 1 1 342.461 0.042 20 30 ECEDMO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073796446 787219836 /nfs/dbraw/zinc/21/98/36/787219836.db2.gz MYFGFWGTRKQQAS-GJZGRUSLSA-N 1 1 344.477 0.594 20 30 ECEDMO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073796446 787219843 /nfs/dbraw/zinc/21/98/43/787219843.db2.gz MYFGFWGTRKQQAS-GJZGRUSLSA-N 1 1 344.477 0.594 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2sc(N(C)C)nc2C)C1 ZINC001073798527 787224190 /nfs/dbraw/zinc/22/41/90/787224190.db2.gz JKWQQSRISSTTPK-CYBMUJFWSA-N 1 1 336.461 0.971 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2sc(N(C)C)nc2C)C1 ZINC001073798527 787224194 /nfs/dbraw/zinc/22/41/94/787224194.db2.gz JKWQQSRISSTTPK-CYBMUJFWSA-N 1 1 336.461 0.971 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3cccnn32)C1 ZINC001073801444 787229785 /nfs/dbraw/zinc/22/97/85/787229785.db2.gz KZQDCUHXTVCGIH-CQSZACIVSA-N 1 1 327.388 0.573 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001073804034 787233954 /nfs/dbraw/zinc/23/39/54/787233954.db2.gz ARYJDXPVPIWUOR-CQSZACIVSA-N 1 1 344.415 0.904 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2C[N@H+](CC#CC)CCCO2)nn1 ZINC001073813168 787245727 /nfs/dbraw/zinc/24/57/27/787245727.db2.gz QABXFCSRMQFVRB-OAHLLOKOSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC#CC)CCCO2)nn1 ZINC001073813168 787245731 /nfs/dbraw/zinc/24/57/31/787245731.db2.gz QABXFCSRMQFVRB-OAHLLOKOSA-N 1 1 331.420 0.698 20 30 ECEDMO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001073820767 787265537 /nfs/dbraw/zinc/26/55/37/787265537.db2.gz WOENMPHHXZYYHK-DZGCQCFKSA-N 1 1 334.420 0.747 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001073821238 787266513 /nfs/dbraw/zinc/26/65/13/787266513.db2.gz DDTQVWXQJMMIPY-OAHLLOKOSA-N 1 1 333.388 0.370 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001073821238 787266521 /nfs/dbraw/zinc/26/65/21/787266521.db2.gz DDTQVWXQJMMIPY-OAHLLOKOSA-N 1 1 333.388 0.370 20 30 ECEDMO C#CCCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001074565929 787272947 /nfs/dbraw/zinc/27/29/47/787272947.db2.gz ZFHVLHWJJRIIBB-HZPDHXFCSA-N 1 1 349.475 0.457 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001073837832 787318615 /nfs/dbraw/zinc/31/86/15/787318615.db2.gz VJECXALFCDTOLD-ZIAGYGMSSA-N 1 1 330.432 0.988 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001073837832 787318621 /nfs/dbraw/zinc/31/86/21/787318621.db2.gz VJECXALFCDTOLD-ZIAGYGMSSA-N 1 1 330.432 0.988 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn3nccc3nc2C)C1 ZINC001073840542 787324315 /nfs/dbraw/zinc/32/43/15/787324315.db2.gz VCXOTKDDJQZWOH-HNNXBMFYSA-N 1 1 341.415 0.882 20 30 ECEDMO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2nccn3cc(C)nc23)C1 ZINC001073847534 787344980 /nfs/dbraw/zinc/34/49/80/787344980.db2.gz CPELDNFLUKBOPQ-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2nccn3cc(C)nc23)C1 ZINC001073847534 787344982 /nfs/dbraw/zinc/34/49/82/787344982.db2.gz CPELDNFLUKBOPQ-OAHLLOKOSA-N 1 1 341.415 0.882 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001073847605 787345028 /nfs/dbraw/zinc/34/50/28/787345028.db2.gz FMGSNYIFIVIPLA-CVEARBPZSA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001073847798 787347717 /nfs/dbraw/zinc/34/77/17/787347717.db2.gz KBTKWHDLGUAKSV-LSDHHAIUSA-N 1 1 347.419 0.084 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001073856257 787371528 /nfs/dbraw/zinc/37/15/28/787371528.db2.gz AOJLNLQZMVQCOK-ZDUSSCGKSA-N 1 1 345.403 0.832 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001073859955 787383901 /nfs/dbraw/zinc/38/39/01/787383901.db2.gz XTFMZIWJMHVFSP-KGLIPLIRSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001073859955 787383910 /nfs/dbraw/zinc/38/39/10/787383910.db2.gz XTFMZIWJMHVFSP-KGLIPLIRSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001073859955 787383921 /nfs/dbraw/zinc/38/39/21/787383921.db2.gz XTFMZIWJMHVFSP-KGLIPLIRSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001073859955 787383931 /nfs/dbraw/zinc/38/39/31/787383931.db2.gz XTFMZIWJMHVFSP-KGLIPLIRSA-N 1 1 333.436 0.693 20 30 ECEDMO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001073859955 787383940 /nfs/dbraw/zinc/38/39/40/787383940.db2.gz XTFMZIWJMHVFSP-KGLIPLIRSA-N 1 1 333.436 0.693 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 ZINC001073861564 787386751 /nfs/dbraw/zinc/38/67/51/787386751.db2.gz FFXQBKVFPUEYQJ-OAHLLOKOSA-N 1 1 344.415 0.285 20 30 ECEDMO CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001073883354 787429755 /nfs/dbraw/zinc/42/97/55/787429755.db2.gz KPTIPAIDRQHDGB-HNNXBMFYSA-N 1 1 346.431 0.497 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC001073883800 787431509 /nfs/dbraw/zinc/43/15/09/787431509.db2.gz YKNWEXBIGPKBFP-INIZCTEOSA-N 1 1 346.431 0.862 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001073890669 787448985 /nfs/dbraw/zinc/44/89/85/787448985.db2.gz HNNKKEPLQPCUGH-DLBZAZTESA-N 1 1 349.475 0.864 20 30 ECEDMO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001073896237 787465265 /nfs/dbraw/zinc/46/52/65/787465265.db2.gz NTTVGEYFOSTCCA-GJZGRUSLSA-N 1 1 344.477 0.737 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001073899316 787474376 /nfs/dbraw/zinc/47/43/76/787474376.db2.gz QGQABLFPLFNMIR-AWEZNQCLSA-N 1 1 341.415 0.731 20 30 ECEDMO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001073899316 787474382 /nfs/dbraw/zinc/47/43/82/787474382.db2.gz QGQABLFPLFNMIR-AWEZNQCLSA-N 1 1 341.415 0.731 20 30 ECEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001073908168 787495511 /nfs/dbraw/zinc/49/55/11/787495511.db2.gz CQHRUXPQQOIRCJ-ABHNRTSZSA-N 1 1 349.475 0.912 20 30 ECEDMO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2c(OC)ncnc2OC)C1 ZINC001073908379 787496564 /nfs/dbraw/zinc/49/65/64/787496564.db2.gz JSSHVTAJNLKBMM-LBPRGKRZSA-N 1 1 336.392 0.501 20 30 ECEDMO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001073914906 787520225 /nfs/dbraw/zinc/52/02/25/787520225.db2.gz IPTRHUCXMMFNJE-GFCCVEGCSA-N 1 1 329.356 0.987 20 30 ECEDMO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001073914906 787520228 /nfs/dbraw/zinc/52/02/28/787520228.db2.gz IPTRHUCXMMFNJE-GFCCVEGCSA-N 1 1 329.356 0.987 20 30 ECEDMO CC#CCCCC(=O)N1CCC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001074680865 787579303 /nfs/dbraw/zinc/57/93/03/787579303.db2.gz GMFFVLFYRBDRBQ-INIZCTEOSA-N 1 1 349.475 0.601 20 30 ECEDMO C[N@@H+](C[C@H]1CCCCN1C(=O)C#CC1CC1)[C@H]1CCC(=O)NC1=O ZINC001074012863 787675497 /nfs/dbraw/zinc/67/54/97/787675497.db2.gz RADGCTPPRHXCKZ-CABCVRRESA-N 1 1 331.416 0.518 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC001074093253 787867435 /nfs/dbraw/zinc/86/74/35/787867435.db2.gz QUHXTBODHDCEKG-IAGOWNOFSA-N 1 1 340.427 0.878 20 30 ECEDMO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 ZINC001074159423 787963147 /nfs/dbraw/zinc/96/31/47/787963147.db2.gz FFXSPCXKNQXCGM-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 ZINC001074159423 787963155 /nfs/dbraw/zinc/96/31/55/787963155.db2.gz FFXSPCXKNQXCGM-HZPDHXFCSA-N 1 1 335.448 0.877 20 30 ECEDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072595207 788390540 /nfs/dbraw/zinc/39/05/40/788390540.db2.gz HMLWCKRSLJMBGT-LBPRGKRZSA-N 1 1 341.415 0.701 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4cn(C)cn4)C3)C2)C1=O ZINC001072616445 788439026 /nfs/dbraw/zinc/43/90/26/788439026.db2.gz BCAOKSKSQKJHLK-OAHLLOKOSA-N 1 1 343.431 0.355 20 30 ECEDMO C[C@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072645029 788494468 /nfs/dbraw/zinc/49/44/68/788494468.db2.gz XSXIZMWENNUIKI-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO N#Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4COC(=O)N4)C3)C2)cc1 ZINC001072686077 788588561 /nfs/dbraw/zinc/58/85/61/788588561.db2.gz BTPWCQXEJHBVPC-HNNXBMFYSA-N 1 1 340.383 0.701 20 30 ECEDMO C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CC4(F)F)C3)C2)C1=O ZINC001072704618 788620851 /nfs/dbraw/zinc/62/08/51/788620851.db2.gz BOOHBFWZAUSTCL-STQMWFEESA-N 1 1 339.386 0.963 20 30 ECEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C2)C1 ZINC001072852560 788964330 /nfs/dbraw/zinc/96/43/30/788964330.db2.gz GROXNXFTJYVUTM-UHFFFAOYSA-N 1 1 338.473 0.922 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3cnc4c(c3)NC(=O)CO4)C2)C1 ZINC001072896974 789060735 /nfs/dbraw/zinc/06/07/35/789060735.db2.gz REBANJDAYBEAPK-UHFFFAOYSA-N 1 1 326.356 0.194 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)Cc4cnoc4)C3)C2)C1=O ZINC001072909409 789091309 /nfs/dbraw/zinc/09/13/09/789091309.db2.gz ZCAXQFMHFKPFGH-OAHLLOKOSA-N 1 1 344.415 0.538 20 30 ECEDMO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CNC(=O)N4)C3)C2)c1 ZINC001072932935 789132916 /nfs/dbraw/zinc/13/29/16/789132916.db2.gz ZSYARNKGPATHKZ-HNNXBMFYSA-N 1 1 339.399 0.274 20 30 ECEDMO C#CC[N@@H+]1CCC2(CN(C(=O)c3c4n(c(=O)n3C)CCCC4)C2)C1 ZINC001072978154 789201671 /nfs/dbraw/zinc/20/16/71/789201671.db2.gz FOYOVQDEDNFTNG-UHFFFAOYSA-N 1 1 328.416 0.304 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001073024988 789294129 /nfs/dbraw/zinc/29/41/29/789294129.db2.gz DDGQVGAAMRFJGU-HUUCEWRRSA-N 1 1 335.448 0.616 20 30 ECEDMO C#CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001075413099 789339500 /nfs/dbraw/zinc/33/95/00/789339500.db2.gz IPIQAIRMNGCNLK-GOEBONIOSA-N 1 1 331.420 0.736 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC1)C2 ZINC001073051235 789348867 /nfs/dbraw/zinc/34/88/67/789348867.db2.gz UOKZLXLYZGTBGG-RDJZCZTQSA-N 1 1 347.459 0.734 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@]4(C)CCOC4)C3)C2)C1=O ZINC001073084267 789411300 /nfs/dbraw/zinc/41/13/00/789411300.db2.gz YWKSBFPKUMZHOU-CRAIPNDOSA-N 1 1 347.459 0.734 20 30 ECEDMO O=C(Cc1nnc[nH]1)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC001073112169 789462374 /nfs/dbraw/zinc/46/23/74/789462374.db2.gz OAOQHMVBWZXUIO-UHFFFAOYSA-N 1 1 335.411 0.933 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N(C)C)C3)cn1 ZINC001073137657 789510834 /nfs/dbraw/zinc/51/08/34/789510834.db2.gz CXQZRYTUQXEIDF-UHFFFAOYSA-N 1 1 326.400 0.299 20 30 ECEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001073158090 789547858 /nfs/dbraw/zinc/54/78/58/789547858.db2.gz LNLKGYOQYZMFAX-CQSZACIVSA-N 1 1 341.839 0.521 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 ZINC001073158090 789547863 /nfs/dbraw/zinc/54/78/63/789547863.db2.gz LNLKGYOQYZMFAX-CQSZACIVSA-N 1 1 341.839 0.521 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC(C)CC3)C[C@H]21 ZINC001075620048 789580401 /nfs/dbraw/zinc/58/04/01/789580401.db2.gz XEWCUWLWJMNAJO-OWCLPIDISA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC(C)CC3)C[C@H]21 ZINC001075620048 789580407 /nfs/dbraw/zinc/58/04/07/789580407.db2.gz XEWCUWLWJMNAJO-OWCLPIDISA-N 1 1 332.448 0.937 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](Nc3ccncc3C#N)C(C)(C)C2)C1 ZINC001069572234 789907951 /nfs/dbraw/zinc/90/79/51/789907951.db2.gz PQDPTTRTYGGWCW-XJKSGUPXSA-N 1 1 327.432 0.976 20 30 ECEDMO C=CCOCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001069752038 790009431 /nfs/dbraw/zinc/00/94/31/790009431.db2.gz AROYNOFZCHDSSX-QFBILLFUSA-N 1 1 349.475 0.982 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC(Nc3ccnc(C#N)n3)C2)C1 ZINC001069794903 790038931 /nfs/dbraw/zinc/03/89/31/790038931.db2.gz OPFPSECJRNAOBF-HSBZDZAISA-N 1 1 328.420 0.513 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC(Nc3nccnc3C#N)C2)O1 ZINC001069801579 790041404 /nfs/dbraw/zinc/04/14/04/790041404.db2.gz MDNWFHBKOHPBQI-XZNOPERXSA-N 1 1 344.419 0.469 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC(Nc3nccnc3C#N)C2)O1 ZINC001069801579 790041409 /nfs/dbraw/zinc/04/14/09/790041409.db2.gz MDNWFHBKOHPBQI-XZNOPERXSA-N 1 1 344.419 0.469 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001069820173 790054447 /nfs/dbraw/zinc/05/44/47/790054447.db2.gz AOAJOQPUDAPKIO-CQSZACIVSA-N 1 1 326.404 0.553 20 30 ECEDMO C=C(C)C[NH2+][C@H]1CCN(c2cccc(CNC(=O)c3cnn[nH]3)n2)C1 ZINC001069839963 790073869 /nfs/dbraw/zinc/07/38/69/790073869.db2.gz MYCXJYZCFCJRBN-AWEZNQCLSA-N 1 1 341.419 0.874 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CC(=C)C)CC2 ZINC001069863290 790117490 /nfs/dbraw/zinc/11/74/90/790117490.db2.gz HRTYISZNUNTBBG-KRWDZBQOSA-N 1 1 341.459 0.989 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CC(=C)C)CC2 ZINC001069863290 790117494 /nfs/dbraw/zinc/11/74/94/790117494.db2.gz HRTYISZNUNTBBG-KRWDZBQOSA-N 1 1 341.459 0.989 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069898830 790166579 /nfs/dbraw/zinc/16/65/79/790166579.db2.gz ADWBWSJZNFRNIP-ZNMIVQPWSA-N 1 1 329.408 0.653 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnns2)[C@@H](n2ccnn2)C1 ZINC001069900496 790169351 /nfs/dbraw/zinc/16/93/51/790169351.db2.gz HWVLKXQFXSNXMO-NEPJUHHUSA-N 1 1 333.421 0.751 20 30 ECEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cnns2)[C@@H](n2ccnn2)C1 ZINC001069900496 790169355 /nfs/dbraw/zinc/16/93/55/790169355.db2.gz HWVLKXQFXSNXMO-NEPJUHHUSA-N 1 1 333.421 0.751 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001069901701 790170764 /nfs/dbraw/zinc/17/07/64/790170764.db2.gz PBNLJXWDUYKFKI-CABCVRRESA-N 1 1 329.408 0.172 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001069901701 790170769 /nfs/dbraw/zinc/17/07/69/790170769.db2.gz PBNLJXWDUYKFKI-CABCVRRESA-N 1 1 329.408 0.172 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069902600 790171802 /nfs/dbraw/zinc/17/18/02/790171802.db2.gz FVOYDBAASKKREG-CABCVRRESA-N 1 1 329.408 0.551 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069902600 790171806 /nfs/dbraw/zinc/17/18/06/790171806.db2.gz FVOYDBAASKKREG-CABCVRRESA-N 1 1 329.408 0.551 20 30 ECEDMO C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069911365 790179967 /nfs/dbraw/zinc/17/99/67/790179967.db2.gz KXTRLUAMHPUEDW-GLQYFDAESA-N 1 1 345.382 0.881 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)[C@@H](n2ccnn2)C1 ZINC001069941887 790217679 /nfs/dbraw/zinc/21/76/79/790217679.db2.gz CGUNGGXXJSHYKV-KFWWJZLASA-N 1 1 346.435 0.064 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001069946101 790224737 /nfs/dbraw/zinc/22/47/37/790224737.db2.gz IZEKVVQESIZTKY-LZWOXQAQSA-N 1 1 344.419 0.302 20 30 ECEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069946303 790225249 /nfs/dbraw/zinc/22/52/49/790225249.db2.gz PJOOTIXLUGAOEK-ZBFHGGJFSA-N 1 1 344.419 0.303 20 30 ECEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c(C)ncn2C)[C@@H](n2ccnn2)C1 ZINC001069951289 790231437 /nfs/dbraw/zinc/23/14/37/790231437.db2.gz GRGIFUWWNDGOCC-CABCVRRESA-N 1 1 343.435 0.942 20 30 ECEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069957118 790239423 /nfs/dbraw/zinc/23/94/23/790239423.db2.gz QRDSIXPWAJUARJ-JKIFEVAISA-N 1 1 346.435 0.112 20 30 ECEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2CCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001069965780 790251953 /nfs/dbraw/zinc/25/19/53/790251953.db2.gz FRLMDYVTRCMGFY-CABCVRRESA-N 1 1 346.435 0.208 20 30 ECEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2CCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001069965780 790251957 /nfs/dbraw/zinc/25/19/57/790251957.db2.gz FRLMDYVTRCMGFY-CABCVRRESA-N 1 1 346.435 0.208 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)C=C(C)C)CCOCC1 ZINC001069968515 790256023 /nfs/dbraw/zinc/25/60/23/790256023.db2.gz CKNLPQXNPAVSLC-INIZCTEOSA-N 1 1 347.459 0.832 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)C=C(C)C)CCOCC1 ZINC001069968515 790256026 /nfs/dbraw/zinc/25/60/26/790256026.db2.gz CKNLPQXNPAVSLC-INIZCTEOSA-N 1 1 347.459 0.832 20 30 ECEDMO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001068837999 791232860 /nfs/dbraw/zinc/23/28/60/791232860.db2.gz DHXANCBVGQVESG-HOTGVXAUSA-N 1 1 347.459 0.760 20 30 ECEDMO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001068873291 791316887 /nfs/dbraw/zinc/31/68/87/791316887.db2.gz BQGVYKBLWYAMNM-CABCVRRESA-N 1 1 333.432 0.084 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068940358 791468960 /nfs/dbraw/zinc/46/89/60/791468960.db2.gz MWKFTWMMRBDDKM-INIZCTEOSA-N 1 1 349.475 0.864 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2cnc(C#N)cn2)C[C@H]1C ZINC001069176529 791759508 /nfs/dbraw/zinc/75/95/08/791759508.db2.gz UWPMHGWRXBZRHI-DGCLKSJQSA-N 1 1 325.376 0.955 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3ccc(C#N)nc3)C2)C1 ZINC001066675583 791968609 /nfs/dbraw/zinc/96/86/09/791968609.db2.gz NLCAEYFRKZZIMO-RHSMWYFYSA-N 1 1 343.431 0.934 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1CN(C)c1ccc(C#N)nn1 ZINC001067763493 792247569 /nfs/dbraw/zinc/24/75/69/792247569.db2.gz YIKHDMARUBWBCH-HNNXBMFYSA-N 1 1 339.403 0.981 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2ccc(C#N)cn2)C1 ZINC001066890864 792292246 /nfs/dbraw/zinc/29/22/46/792292246.db2.gz RAHXBMNTIVVFDD-MAUKXSAKSA-N 1 1 343.431 0.813 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2cncc(C#N)n2)C1 ZINC001066891235 792294484 /nfs/dbraw/zinc/29/44/84/792294484.db2.gz XOZAWEFHXOPXMW-WMLDXEAASA-N 1 1 344.419 0.208 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2ncccc2C#N)C1 ZINC001066891537 792296193 /nfs/dbraw/zinc/29/61/93/792296193.db2.gz ZSDOZBCSLSJWKJ-QAPCUYQASA-N 1 1 343.431 0.813 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N(C)CCCN(C)C(=O)c2ccn[nH]2)CC1 ZINC001066896126 792310660 /nfs/dbraw/zinc/31/06/60/792310660.db2.gz NOJXRPSNIYNRNL-UHFFFAOYSA-N 1 1 345.447 0.675 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(Nc3cnc(C#N)cn3)C2)C1 ZINC001066906346 792340804 /nfs/dbraw/zinc/34/08/04/792340804.db2.gz QWXUBCVARYIWEV-GUYCJALGSA-N 1 1 344.419 0.065 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cocn1 ZINC001067003579 792549022 /nfs/dbraw/zinc/54/90/22/792549022.db2.gz NRPCHASOAYWQQD-HNNXBMFYSA-N 1 1 332.404 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cocn1 ZINC001067003579 792549033 /nfs/dbraw/zinc/54/90/33/792549033.db2.gz NRPCHASOAYWQQD-HNNXBMFYSA-N 1 1 332.404 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@@H]1CCOC1 ZINC001067063930 792648502 /nfs/dbraw/zinc/64/85/02/792648502.db2.gz FUBRAQJOAXRLJM-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[C@@H]1CCOC1 ZINC001067063930 792648505 /nfs/dbraw/zinc/64/85/05/792648505.db2.gz FUBRAQJOAXRLJM-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1cc[nH]n1 ZINC001067072966 792662573 /nfs/dbraw/zinc/66/25/73/792662573.db2.gz PIXOPDSMQAESAH-INIZCTEOSA-N 1 1 345.447 0.357 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1cc[nH]n1 ZINC001067072966 792662577 /nfs/dbraw/zinc/66/25/77/792662577.db2.gz PIXOPDSMQAESAH-INIZCTEOSA-N 1 1 345.447 0.357 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2nccnc2C#N)CC1(C)C ZINC001068098778 792668333 /nfs/dbraw/zinc/66/83/33/792668333.db2.gz JHMSMARRHAVABG-ZIAGYGMSSA-N 1 1 328.420 0.773 20 30 ECEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)CC2(C)C)C1 ZINC001068102148 792673940 /nfs/dbraw/zinc/67/39/40/792673940.db2.gz IMFTVAMNSLYMJL-HZPDHXFCSA-N 1 1 343.431 0.615 20 30 ECEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)CC2(C)C)C1 ZINC001068102148 792673945 /nfs/dbraw/zinc/67/39/45/792673945.db2.gz IMFTVAMNSLYMJL-HZPDHXFCSA-N 1 1 343.431 0.615 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC1(C)C ZINC001068126870 792717525 /nfs/dbraw/zinc/71/75/25/792717525.db2.gz ORVPPJYBZNCGDS-CYBMUJFWSA-N 1 1 339.403 0.884 20 30 ECEDMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067119198 792718372 /nfs/dbraw/zinc/71/83/72/792718372.db2.gz VHGQSHZQPAJWLB-HIFRSBDPSA-N 1 1 344.419 0.329 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(c2ncccn2)CC1(C)C ZINC001068143792 792739775 /nfs/dbraw/zinc/73/97/75/792739775.db2.gz DHZMRRLNDRJAGY-GJZGRUSLSA-N 1 1 327.432 0.905 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(c2ncccn2)CC1(C)C ZINC001068143792 792739783 /nfs/dbraw/zinc/73/97/83/792739783.db2.gz DHZMRRLNDRJAGY-GJZGRUSLSA-N 1 1 327.432 0.905 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ncc(C#N)cc4F)C[C@H]32)C1 ZINC001068175612 792788186 /nfs/dbraw/zinc/78/81/86/792788186.db2.gz QKHMTAKSEJHKCL-TUVASFSCSA-N 1 1 343.406 0.842 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001068208355 792830039 /nfs/dbraw/zinc/83/00/39/792830039.db2.gz JLQCSYMIHXXSEB-LVQVYYBASA-N 1 1 340.431 0.631 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1C[C@H](CNc2ccnc(C#N)n2)C[C@@H]1C ZINC001068359458 793123576 /nfs/dbraw/zinc/12/35/76/793123576.db2.gz RAAGQTGZELJZEO-JSGCOSHPSA-N 1 1 339.403 0.624 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1C ZINC001067420888 793129260 /nfs/dbraw/zinc/12/92/60/793129260.db2.gz PNTCDSHCDGIZHB-OCCSQVGLSA-N 1 1 339.403 0.884 20 30 ECEDMO CCC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068420275 793278513 /nfs/dbraw/zinc/27/85/13/793278513.db2.gz KULIOAFHMREFPO-UHFFFAOYSA-N 1 1 347.459 0.572 20 30 ECEDMO CC#CCCCC(=O)N1CCOC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001068433525 793308259 /nfs/dbraw/zinc/30/82/59/793308259.db2.gz SJPRGWIWCRUTLL-MRXNPFEDSA-N 1 1 347.459 0.714 20 30 ECEDMO CC#CCCCC(=O)N1CCOC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001068436459 793311253 /nfs/dbraw/zinc/31/12/53/793311253.db2.gz JYMWHJAVKSGJCR-UHFFFAOYSA-N 1 1 349.475 0.960 20 30 ECEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CC[NH2+]Cc1cc(C)n(C)n1 ZINC001267436481 837414410 /nfs/dbraw/zinc/41/44/10/837414410.db2.gz GKQFNFOZWDFJJQ-INIZCTEOSA-N 1 1 335.452 0.747 20 30 ECEDMO C=CCCn1cc(C(=O)N(C)CC[NH2+]Cc2nnc(C)s2)nn1 ZINC001267439329 837417378 /nfs/dbraw/zinc/41/73/78/837417378.db2.gz CHAQEZSQEOLODU-UHFFFAOYSA-N 1 1 335.437 0.876 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)c2nc(C)c[nH]2)C1 ZINC001267487437 837548856 /nfs/dbraw/zinc/54/88/56/837548856.db2.gz DTDQTIHFUBTMEL-HUUCEWRRSA-N 1 1 345.447 0.783 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)c2nc(C)c[nH]2)C1 ZINC001267487437 837548861 /nfs/dbraw/zinc/54/88/61/837548861.db2.gz DTDQTIHFUBTMEL-HUUCEWRRSA-N 1 1 345.447 0.783 20 30 ECEDMO COCC#CC[N@@H+](CCCNC(=O)C[C@@H]1CCC(=O)NC1)C(C)C ZINC001267503095 837580555 /nfs/dbraw/zinc/58/05/55/837580555.db2.gz OUVYYXQZILOIPA-INIZCTEOSA-N 1 1 337.464 0.769 20 30 ECEDMO CCn1nncc1C[N@H+]1CC[C@@H](CCNC(=O)CSCC#N)C1 ZINC001267506999 837592038 /nfs/dbraw/zinc/59/20/38/837592038.db2.gz AAKXQBVPQLGJAU-CYBMUJFWSA-N 1 1 336.465 0.883 20 30 ECEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CCS(=O)(=O)N1)C(C)C ZINC001267514569 837607560 /nfs/dbraw/zinc/60/75/60/837607560.db2.gz OFQOAWOJORJVAP-LBPRGKRZSA-N 1 1 337.873 0.647 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2csnc2C)C1 ZINC001267524483 837683205 /nfs/dbraw/zinc/68/32/05/837683205.db2.gz TWFFTLNMZGYSJI-ZDUSSCGKSA-N 1 1 334.445 0.643 20 30 ECEDMO CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCNC1=O ZINC001267529489 837701584 /nfs/dbraw/zinc/70/15/84/837701584.db2.gz NFXSCNHJAABGKO-GASCZTMLSA-N 1 1 332.448 0.736 20 30 ECEDMO CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCNC1=O ZINC001267529489 837701594 /nfs/dbraw/zinc/70/15/94/837701594.db2.gz NFXSCNHJAABGKO-GASCZTMLSA-N 1 1 332.448 0.736 20 30 ECEDMO CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267531320 837704505 /nfs/dbraw/zinc/70/45/05/837704505.db2.gz QBEVXTGXMOCYBX-HOTGVXAUSA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267531320 837704510 /nfs/dbraw/zinc/70/45/10/837704510.db2.gz QBEVXTGXMOCYBX-HOTGVXAUSA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267531320 837704516 /nfs/dbraw/zinc/70/45/16/837704516.db2.gz QBEVXTGXMOCYBX-HOTGVXAUSA-N 1 1 349.479 0.327 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267531320 837704520 /nfs/dbraw/zinc/70/45/20/837704520.db2.gz QBEVXTGXMOCYBX-HOTGVXAUSA-N 1 1 349.479 0.327 20 30 ECEDMO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](O)COC)c1 ZINC001267533055 837708719 /nfs/dbraw/zinc/70/87/19/837708719.db2.gz QWPZCVVKEMDKOT-BBWFWOEESA-N 1 1 329.400 0.359 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267539750 837724523 /nfs/dbraw/zinc/72/45/23/837724523.db2.gz JPKIRMMIVQHFEF-GDBMZVCRSA-N 1 1 343.431 0.541 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267539750 837724527 /nfs/dbraw/zinc/72/45/27/837724527.db2.gz JPKIRMMIVQHFEF-GDBMZVCRSA-N 1 1 343.431 0.541 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267539752 837725176 /nfs/dbraw/zinc/72/51/76/837725176.db2.gz JPKIRMMIVQHFEF-GOEBONIOSA-N 1 1 343.431 0.541 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267539752 837725185 /nfs/dbraw/zinc/72/51/85/837725185.db2.gz JPKIRMMIVQHFEF-GOEBONIOSA-N 1 1 343.431 0.541 20 30 ECEDMO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001267541177 837726303 /nfs/dbraw/zinc/72/63/03/837726303.db2.gz WWPKAQAXDCOZFG-QGZVFWFLSA-N 1 1 349.475 0.962 20 30 ECEDMO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001267541177 837726309 /nfs/dbraw/zinc/72/63/09/837726309.db2.gz WWPKAQAXDCOZFG-QGZVFWFLSA-N 1 1 349.475 0.962 20 30 ECEDMO CCCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001267541395 837728059 /nfs/dbraw/zinc/72/80/59/837728059.db2.gz ZXRRVDFWJXLCHA-OAHLLOKOSA-N 1 1 334.420 0.822 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001267547588 837742846 /nfs/dbraw/zinc/74/28/46/837742846.db2.gz PMYJYLVQOBUVPT-AWEZNQCLSA-N 1 1 327.388 0.995 20 30 ECEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001267548282 837743271 /nfs/dbraw/zinc/74/32/71/837743271.db2.gz BZOXBHFRWCCOBP-AWEZNQCLSA-N 1 1 331.482 0.767 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CCC(=O)N2CCOCC2)C1 ZINC001267548788 837746711 /nfs/dbraw/zinc/74/67/11/837746711.db2.gz MXOXJHXQSHYEPP-KRWDZBQOSA-N 1 1 349.475 0.962 20 30 ECEDMO C#Cc1ccc(C(=O)N(CCC)[C@H]2CC[N@@H+](CCOCCO)C2)nc1 ZINC001267548554 837748316 /nfs/dbraw/zinc/74/83/16/837748316.db2.gz IDJFPJWVMTZITC-KRWDZBQOSA-N 1 1 345.443 0.998 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001267562464 837775102 /nfs/dbraw/zinc/77/51/02/837775102.db2.gz VWTDVSDXRYIQHU-HIFRSBDPSA-N 1 1 329.404 0.217 20 30 ECEDMO CCC[C@@H](NC(N)=O)C(=O)NCC[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267568505 837790074 /nfs/dbraw/zinc/79/00/74/837790074.db2.gz WZECNUGWHYJCKK-LSDHHAIUSA-N 1 1 338.452 0.301 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001267577077 837834113 /nfs/dbraw/zinc/83/41/13/837834113.db2.gz FXQWPOXOSYGXFS-LSDHHAIUSA-N 1 1 337.464 0.884 20 30 ECEDMO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC#CCOC)C1)N1CCCC1=O ZINC001266252079 835556871 /nfs/dbraw/zinc/55/68/71/835556871.db2.gz MFYYVXREGZJHHQ-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC#CCOC)C1)N1CCCC1=O ZINC001266252079 835556878 /nfs/dbraw/zinc/55/68/78/835556878.db2.gz MFYYVXREGZJHHQ-HOTGVXAUSA-N 1 1 335.448 0.618 20 30 ECEDMO C=C(Cl)CN1CC[NH+](CCCNC(=O)CN2CCCC2=O)CC1 ZINC001266256666 835562718 /nfs/dbraw/zinc/56/27/18/835562718.db2.gz DUYJCBRRLIOKKN-UHFFFAOYSA-N 1 1 342.871 0.485 20 30 ECEDMO CC(C)[C@H](C)C(=O)NCCC[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC001266273816 835596461 /nfs/dbraw/zinc/59/64/61/835596461.db2.gz SLCMIYNDTNQGJI-HNNXBMFYSA-N 1 1 337.468 0.042 20 30 ECEDMO O=C(CC#Cc1ccccc1)NCCC[NH+]1CCN(CCCO)CC1 ZINC001266277769 835603937 /nfs/dbraw/zinc/60/39/37/835603937.db2.gz PFSHZQRCKBGJGO-UHFFFAOYSA-N 1 1 343.471 0.935 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ncc2ccccn21 ZINC001266297816 835648697 /nfs/dbraw/zinc/64/86/97/835648697.db2.gz RTHUBZGZPYCIQM-ZDUSSCGKSA-N 1 1 329.404 0.687 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ncc2ccccn21 ZINC001266297816 835648701 /nfs/dbraw/zinc/64/87/01/835648701.db2.gz RTHUBZGZPYCIQM-ZDUSSCGKSA-N 1 1 329.404 0.687 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001266322934 835698016 /nfs/dbraw/zinc/69/80/16/835698016.db2.gz QKUFNOMLOFHANP-PBHICJAKSA-N 1 1 341.411 0.354 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001266322934 835698022 /nfs/dbraw/zinc/69/80/22/835698022.db2.gz QKUFNOMLOFHANP-PBHICJAKSA-N 1 1 341.411 0.354 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1nn(C)c(C)c1Cl ZINC001266329914 835710711 /nfs/dbraw/zinc/71/07/11/835710711.db2.gz MJOMZWAPBZQLBM-LLVKDONJSA-N 1 1 339.827 0.181 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1nn(C)c(C)c1Cl ZINC001266329914 835710716 /nfs/dbraw/zinc/71/07/16/835710716.db2.gz MJOMZWAPBZQLBM-LLVKDONJSA-N 1 1 339.827 0.181 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001266345206 835734986 /nfs/dbraw/zinc/73/49/86/835734986.db2.gz PVDUNLZOINXJKW-JKSUJKDBSA-N 1 1 333.436 0.582 20 30 ECEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001266345206 835734991 /nfs/dbraw/zinc/73/49/91/835734991.db2.gz PVDUNLZOINXJKW-JKSUJKDBSA-N 1 1 333.436 0.582 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345342 835735538 /nfs/dbraw/zinc/73/55/38/835735538.db2.gz RRLJOYZEBIKRKI-HIFRSBDPSA-N 1 1 345.447 0.642 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345342 835735547 /nfs/dbraw/zinc/73/55/47/835735547.db2.gz RRLJOYZEBIKRKI-HIFRSBDPSA-N 1 1 345.447 0.642 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001266353330 835754704 /nfs/dbraw/zinc/75/47/04/835754704.db2.gz UCUGTPDQLWBTRK-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001266353330 835754706 /nfs/dbraw/zinc/75/47/06/835754706.db2.gz UCUGTPDQLWBTRK-INIZCTEOSA-N 1 1 339.399 0.721 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001266355708 835759271 /nfs/dbraw/zinc/75/92/71/835759271.db2.gz MRZHVRXPZHPCPP-RYUDHWBXSA-N 1 1 329.391 0.996 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001266355708 835759278 /nfs/dbraw/zinc/75/92/78/835759278.db2.gz MRZHVRXPZHPCPP-RYUDHWBXSA-N 1 1 329.391 0.996 20 30 ECEDMO C=CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001266360094 835769069 /nfs/dbraw/zinc/76/90/69/835769069.db2.gz QPJNQFRGFLDURY-ZFWWWQNUSA-N 1 1 346.431 0.978 20 30 ECEDMO C=CC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001266360094 835769073 /nfs/dbraw/zinc/76/90/73/835769073.db2.gz QPJNQFRGFLDURY-ZFWWWQNUSA-N 1 1 346.431 0.978 20 30 ECEDMO C=CC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001266360093 835769757 /nfs/dbraw/zinc/76/97/57/835769757.db2.gz QPJNQFRGFLDURY-UKRRQHHQSA-N 1 1 346.431 0.978 20 30 ECEDMO C=CC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001266360093 835769767 /nfs/dbraw/zinc/76/97/67/835769767.db2.gz QPJNQFRGFLDURY-UKRRQHHQSA-N 1 1 346.431 0.978 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1c(C)cc(=O)oc1C ZINC001266400839 835808369 /nfs/dbraw/zinc/80/83/69/835808369.db2.gz UQCCSADVHNJRTJ-CYBMUJFWSA-N 1 1 347.415 0.446 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1c(C)cc(=O)oc1C ZINC001266400839 835808375 /nfs/dbraw/zinc/80/83/75/835808375.db2.gz UQCCSADVHNJRTJ-CYBMUJFWSA-N 1 1 347.415 0.446 20 30 ECEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc2ccccn2c1 ZINC001266421091 835824969 /nfs/dbraw/zinc/82/49/69/835824969.db2.gz RXRBQALRHOLHBV-UHFFFAOYSA-N 1 1 326.400 0.740 20 30 ECEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc2ccccn2c1 ZINC001266421091 835824975 /nfs/dbraw/zinc/82/49/75/835824975.db2.gz RXRBQALRHOLHBV-UHFFFAOYSA-N 1 1 326.400 0.740 20 30 ECEDMO Cc1cnc(C(=O)N2CCC[C@@H](C[N@H+](C)CC(=O)NCC#N)C2)cn1 ZINC001266449107 835853711 /nfs/dbraw/zinc/85/37/11/835853711.db2.gz YPECLUOQJBLEKO-AWEZNQCLSA-N 1 1 344.419 0.209 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001266463952 835865462 /nfs/dbraw/zinc/86/54/62/835865462.db2.gz SGGGNXPHTVIEDP-OAHLLOKOSA-N 1 1 333.436 0.166 20 30 ECEDMO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)CC1(CS(C)(=O)=O)CC1 ZINC001266465442 835867854 /nfs/dbraw/zinc/86/78/54/835867854.db2.gz VZHVBDOJRXYCLW-CQSZACIVSA-N 1 1 326.462 0.805 20 30 ECEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)CC1(CS(C)(=O)=O)CC1 ZINC001266465442 835867856 /nfs/dbraw/zinc/86/78/56/835867856.db2.gz VZHVBDOJRXYCLW-CQSZACIVSA-N 1 1 326.462 0.805 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1nc(C)no1 ZINC001266473849 835875545 /nfs/dbraw/zinc/87/55/45/835875545.db2.gz BPANXKZGRIIEKN-CYBMUJFWSA-N 1 1 335.408 0.193 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc(C)no1 ZINC001266473849 835875550 /nfs/dbraw/zinc/87/55/50/835875550.db2.gz BPANXKZGRIIEKN-CYBMUJFWSA-N 1 1 335.408 0.193 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(=O)cc1OC ZINC001266483552 835882187 /nfs/dbraw/zinc/88/21/87/835882187.db2.gz XYJWXAUPTZIKMC-ZDUSSCGKSA-N 1 1 333.388 0.640 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001266488151 835888519 /nfs/dbraw/zinc/88/85/19/835888519.db2.gz DDOJTQBPRNWGCE-TZMCWYRMSA-N 1 1 343.431 0.619 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001266488151 835888522 /nfs/dbraw/zinc/88/85/22/835888522.db2.gz DDOJTQBPRNWGCE-TZMCWYRMSA-N 1 1 343.431 0.619 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001266492131 835891045 /nfs/dbraw/zinc/89/10/45/835891045.db2.gz IWGBPENADVKOQO-HOTGVXAUSA-N 1 1 342.443 0.679 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001266492131 835891049 /nfs/dbraw/zinc/89/10/49/835891049.db2.gz IWGBPENADVKOQO-HOTGVXAUSA-N 1 1 342.443 0.679 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001266492818 835893128 /nfs/dbraw/zinc/89/31/28/835893128.db2.gz XDZYYTUZIMRZDV-ZFWWWQNUSA-N 1 1 329.466 0.615 20 30 ECEDMO CCCCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001266505137 835906804 /nfs/dbraw/zinc/90/68/04/835906804.db2.gz DFAPRPDBMYPFEH-CYBMUJFWSA-N 1 1 331.420 0.854 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccn(C)c2)C1 ZINC001266509835 835915944 /nfs/dbraw/zinc/91/59/44/835915944.db2.gz TYFCGIDDNOJPRS-CYBMUJFWSA-N 1 1 347.419 0.089 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccn(C)c2)C1 ZINC001266509835 835915955 /nfs/dbraw/zinc/91/59/55/835915955.db2.gz TYFCGIDDNOJPRS-CYBMUJFWSA-N 1 1 347.419 0.089 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001266522998 835937649 /nfs/dbraw/zinc/93/76/49/835937649.db2.gz DVQDAPZLUYLOMW-LSDHHAIUSA-N 1 1 345.447 0.227 20 30 ECEDMO CCc1nc(C)c(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)s1 ZINC001266537975 835957715 /nfs/dbraw/zinc/95/77/15/835957715.db2.gz WBPSDIKCJRPGPC-GFCCVEGCSA-N 1 1 349.460 0.705 20 30 ECEDMO CCc1nc(C)c(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)s1 ZINC001266537975 835957722 /nfs/dbraw/zinc/95/77/22/835957722.db2.gz WBPSDIKCJRPGPC-GFCCVEGCSA-N 1 1 349.460 0.705 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCC)CCNC(=O)c2cnc(C)[nH]2)C1=O ZINC001266556301 835984076 /nfs/dbraw/zinc/98/40/76/835984076.db2.gz JHAZIORVKSTTSS-HNNXBMFYSA-N 1 1 333.436 0.947 20 30 ECEDMO CCC[N@H+](CC#CCOC)CCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001266568601 835999208 /nfs/dbraw/zinc/99/92/08/835999208.db2.gz PTEBRQQNDIZZOO-UHFFFAOYSA-N 1 1 345.403 0.755 20 30 ECEDMO C#CCC[N@@H+](CCC)CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001266577726 836007600 /nfs/dbraw/zinc/00/76/00/836007600.db2.gz XEIJSGHNVSPMSC-HNNXBMFYSA-N 1 1 329.466 0.310 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](CCNC(=O)c2c[nH]c(C#N)c2)C2CC2)C1=O ZINC001266590095 836020106 /nfs/dbraw/zinc/02/01/06/836020106.db2.gz BHZHAJSRCMIBGC-INIZCTEOSA-N 1 1 341.415 0.867 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](CCNC(=O)c2c[nH]c(C#N)c2)C2CC2)C1=O ZINC001266590095 836020117 /nfs/dbraw/zinc/02/01/17/836020117.db2.gz BHZHAJSRCMIBGC-INIZCTEOSA-N 1 1 341.415 0.867 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@@H+](CC(=O)NCCC)C2CC2)cn1 ZINC001266617399 836052103 /nfs/dbraw/zinc/05/21/03/836052103.db2.gz HTNRJQWRCZZICW-UHFFFAOYSA-N 1 1 328.416 0.783 20 30 ECEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC(=O)NCCC)C2CC2)cn1 ZINC001266617399 836052113 /nfs/dbraw/zinc/05/21/13/836052113.db2.gz HTNRJQWRCZZICW-UHFFFAOYSA-N 1 1 328.416 0.783 20 30 ECEDMO Cc1ocnc1C(=O)N1CCC[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266656349 836091176 /nfs/dbraw/zinc/09/11/76/836091176.db2.gz SWYSSXOBIXWZIN-ZIAGYGMSSA-N 1 1 345.403 0.549 20 30 ECEDMO Cc1ocnc1C(=O)N1CCC[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@H]21 ZINC001266656349 836091185 /nfs/dbraw/zinc/09/11/85/836091185.db2.gz SWYSSXOBIXWZIN-ZIAGYGMSSA-N 1 1 345.403 0.549 20 30 ECEDMO C=CCOCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nnn(C)n2)C1 ZINC001266660022 836097740 /nfs/dbraw/zinc/09/77/40/836097740.db2.gz UALGHZIMHXAVQS-ZIAGYGMSSA-N 1 1 334.424 0.339 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccco2)C1 ZINC001266737613 836220731 /nfs/dbraw/zinc/22/07/31/836220731.db2.gz ZGHGWGXTYMHXPX-VBROQKIQSA-N 1 1 330.388 0.761 20 30 ECEDMO N#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccco2)C1 ZINC001266737613 836220738 /nfs/dbraw/zinc/22/07/38/836220738.db2.gz ZGHGWGXTYMHXPX-VBROQKIQSA-N 1 1 330.388 0.761 20 30 ECEDMO C#CCOCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCN(CC=C)C2=O)C1 ZINC001266749257 836236523 /nfs/dbraw/zinc/23/65/23/836236523.db2.gz GHNPUVJXRPDHGW-DLBZAZTESA-N 1 1 347.459 0.641 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001266755736 836251650 /nfs/dbraw/zinc/25/16/50/836251650.db2.gz UCYUGFBNXSTTLV-HZPDHXFCSA-N 1 1 335.448 0.381 20 30 ECEDMO CC#CCCCC(=O)N(C)CC[NH2+]Cc1nnnn1C1CCOCC1 ZINC001266808508 836331539 /nfs/dbraw/zinc/33/15/39/836331539.db2.gz JKSQTHQANDHEDD-UHFFFAOYSA-N 1 1 348.451 0.766 20 30 ECEDMO C=CCn1cc(C(=O)N(C)CC[NH2+]Cc2nnc(CC)s2)nn1 ZINC001266861775 836402153 /nfs/dbraw/zinc/40/21/53/836402153.db2.gz JQFDFDQFAUUFMF-UHFFFAOYSA-N 1 1 335.437 0.740 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cnns2)C1 ZINC001266889069 836437843 /nfs/dbraw/zinc/43/78/43/836437843.db2.gz HTDBSGQVTQCUBB-NEPJUHHUSA-N 1 1 337.449 0.671 20 30 ECEDMO Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)cnn1C ZINC001266889256 836437948 /nfs/dbraw/zinc/43/79/48/836437948.db2.gz JCYHRPGPXWFESD-TZMCWYRMSA-N 1 1 346.435 0.199 20 30 ECEDMO Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)cnn1C ZINC001266889256 836437954 /nfs/dbraw/zinc/43/79/54/836437954.db2.gz JCYHRPGPXWFESD-TZMCWYRMSA-N 1 1 346.435 0.199 20 30 ECEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001266896675 836447551 /nfs/dbraw/zinc/44/75/51/836447551.db2.gz FJMIVAWZHXDYMP-UONOGXRCSA-N 1 1 336.436 0.721 20 30 ECEDMO C#CCNC(=O)CN1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001266898359 836450033 /nfs/dbraw/zinc/45/00/33/836450033.db2.gz VHBOGSLSUPITQO-HOTGVXAUSA-N 1 1 334.464 0.048 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266901030 836454178 /nfs/dbraw/zinc/45/41/78/836454178.db2.gz IIUNMSZKWHYZLW-FIDHJVLJSA-N 1 1 346.475 0.044 20 30 ECEDMO C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266901030 836454182 /nfs/dbraw/zinc/45/41/82/836454182.db2.gz IIUNMSZKWHYZLW-FIDHJVLJSA-N 1 1 346.475 0.044 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]1CCC ZINC001266902147 836457050 /nfs/dbraw/zinc/45/70/50/836457050.db2.gz LXBVGYUASYJUHA-YXISZKLHSA-N 1 1 331.460 0.999 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]1CCC ZINC001266902147 836457056 /nfs/dbraw/zinc/45/70/56/836457056.db2.gz LXBVGYUASYJUHA-YXISZKLHSA-N 1 1 331.460 0.999 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001266904497 836460752 /nfs/dbraw/zinc/46/07/52/836460752.db2.gz LXVOIVPZEKYQTA-FAHYXWLWSA-N 1 1 348.447 0.481 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001266904497 836460756 /nfs/dbraw/zinc/46/07/56/836460756.db2.gz LXVOIVPZEKYQTA-FAHYXWLWSA-N 1 1 348.447 0.481 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@@H]1C ZINC001266904835 836462163 /nfs/dbraw/zinc/46/21/63/836462163.db2.gz PMGMQXQHYPGWKL-JLOCXQCDSA-N 1 1 347.459 0.658 20 30 ECEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@@H](CCC)C1 ZINC001266904917 836462238 /nfs/dbraw/zinc/46/22/38/836462238.db2.gz YWZMBVVZAHUZFL-OCABDXPQSA-N 1 1 347.459 0.378 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@@H](CCC)C1 ZINC001266904917 836462240 /nfs/dbraw/zinc/46/22/40/836462240.db2.gz YWZMBVVZAHUZFL-OCABDXPQSA-N 1 1 347.459 0.378 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H](C)[NH2+]Cc2nnc3n2CCOC3)cn1 ZINC001266984453 836564805 /nfs/dbraw/zinc/56/48/05/836564805.db2.gz BOEMDJCHWWDJGJ-LBPRGKRZSA-N 1 1 340.387 0.093 20 30 ECEDMO N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001267057908 836692912 /nfs/dbraw/zinc/69/29/12/836692912.db2.gz MSMVRKGPIWZAFZ-SECBINFHSA-N 1 1 340.334 0.039 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC001267101223 836771765 /nfs/dbraw/zinc/77/17/65/836771765.db2.gz RCONIVHZTJURME-CABCVRRESA-N 1 1 331.420 0.116 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC001267101223 836771771 /nfs/dbraw/zinc/77/17/71/836771771.db2.gz RCONIVHZTJURME-CABCVRRESA-N 1 1 331.420 0.116 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)noc2C)C1 ZINC001267101037 836772612 /nfs/dbraw/zinc/77/26/12/836772612.db2.gz OYTOAGWSWPDALF-ZFWWWQNUSA-N 1 1 346.431 0.966 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](C)CCNC(=O)C2CC2)C1 ZINC001267104682 836781126 /nfs/dbraw/zinc/78/11/26/836781126.db2.gz DUJLETKIOOVMAT-HOCLYGCPSA-N 1 1 335.448 0.474 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H]([N@H+](C)CCNS(C)(=O)=O)C1 ZINC001267106553 836786840 /nfs/dbraw/zinc/78/68/40/836786840.db2.gz RKHLTZFVBAJELH-CQSZACIVSA-N 1 1 329.466 0.262 20 30 ECEDMO C#CCCCC(=O)N1CCC[C@@H]([N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001267106553 836786845 /nfs/dbraw/zinc/78/68/45/836786845.db2.gz RKHLTZFVBAJELH-CQSZACIVSA-N 1 1 329.466 0.262 20 30 ECEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001267107311 836788491 /nfs/dbraw/zinc/78/84/91/836788491.db2.gz CCBHDNKPLDISAN-UIBIWLFHSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001267107311 836788495 /nfs/dbraw/zinc/78/84/95/836788495.db2.gz CCBHDNKPLDISAN-UIBIWLFHSA-N 1 1 347.459 0.474 20 30 ECEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001267115802 836810120 /nfs/dbraw/zinc/81/01/20/836810120.db2.gz ZOFHCOAZCNDFQB-HOCLYGCPSA-N 1 1 341.477 0.404 20 30 ECEDMO CCc1ncc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NCC#N)C2)s1 ZINC001267117226 836813963 /nfs/dbraw/zinc/81/39/63/836813963.db2.gz QNUPLQQDZAMZJO-LBPRGKRZSA-N 1 1 349.460 0.882 20 30 ECEDMO CCc1ncc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)s1 ZINC001267117226 836813973 /nfs/dbraw/zinc/81/39/73/836813973.db2.gz QNUPLQQDZAMZJO-LBPRGKRZSA-N 1 1 349.460 0.882 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCS(N)(=O)=O ZINC001279576573 836818089 /nfs/dbraw/zinc/81/80/89/836818089.db2.gz ORKNBQVEZJUJFA-ZIAGYGMSSA-N 1 1 329.466 0.697 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CCOC1 ZINC001267163439 836881730 /nfs/dbraw/zinc/88/17/30/836881730.db2.gz UDUHRZMBIZYHIM-CVEARBPZSA-N 1 1 335.448 0.523 20 30 ECEDMO O=C(C#CC1CC1)NCCC[C@@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC001267164392 836884089 /nfs/dbraw/zinc/88/40/89/836884089.db2.gz IPEPQVRPWKFTQY-QGZVFWFLSA-N 1 1 347.459 0.619 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001267172280 836908307 /nfs/dbraw/zinc/90/83/07/836908307.db2.gz ZZDFWGQFAOHUGI-CYBMUJFWSA-N 1 1 344.423 0.854 20 30 ECEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001267181967 836932782 /nfs/dbraw/zinc/93/27/82/836932782.db2.gz RGSNUZXVZORWFU-CQSZACIVSA-N 1 1 348.451 0.527 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C(C)C)n(C)n1 ZINC001267194605 836958370 /nfs/dbraw/zinc/95/83/70/836958370.db2.gz VCZVOVMVXYHYQS-ZDUSSCGKSA-N 1 1 333.436 0.343 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc(C(C)C)n(C)n1 ZINC001267194605 836958374 /nfs/dbraw/zinc/95/83/74/836958374.db2.gz VCZVOVMVXYHYQS-ZDUSSCGKSA-N 1 1 333.436 0.343 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001267195674 836960295 /nfs/dbraw/zinc/96/02/95/836960295.db2.gz JRFGKPARHLPLPE-OLZOCXBDSA-N 1 1 333.436 0.568 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001267195674 836960302 /nfs/dbraw/zinc/96/03/02/836960302.db2.gz JRFGKPARHLPLPE-OLZOCXBDSA-N 1 1 333.436 0.568 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001267195675 836960509 /nfs/dbraw/zinc/96/05/09/836960509.db2.gz JRFGKPARHLPLPE-QWHCGFSZSA-N 1 1 333.436 0.568 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001267195675 836960515 /nfs/dbraw/zinc/96/05/15/836960515.db2.gz JRFGKPARHLPLPE-QWHCGFSZSA-N 1 1 333.436 0.568 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccc2c1COCC2 ZINC001267199240 836968240 /nfs/dbraw/zinc/96/82/40/836968240.db2.gz LYGMJJNFVQFYRJ-AWEZNQCLSA-N 1 1 343.427 0.559 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccc2c1COCC2 ZINC001267199240 836968243 /nfs/dbraw/zinc/96/82/43/836968243.db2.gz LYGMJJNFVQFYRJ-AWEZNQCLSA-N 1 1 343.427 0.559 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001267202486 836979579 /nfs/dbraw/zinc/97/95/79/836979579.db2.gz ANUMWGXGCYADMX-UONOGXRCSA-N 1 1 333.436 0.184 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001267202486 836979590 /nfs/dbraw/zinc/97/95/90/836979590.db2.gz ANUMWGXGCYADMX-UONOGXRCSA-N 1 1 333.436 0.184 20 30 ECEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cc3cccn3cn2)C1=O ZINC001267204088 836981270 /nfs/dbraw/zinc/98/12/70/836981270.db2.gz OXTJKMWSLMYYDK-INIZCTEOSA-N 1 1 341.415 0.783 20 30 ECEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cc3cccn3cn2)C1=O ZINC001267204088 836981278 /nfs/dbraw/zinc/98/12/78/836981278.db2.gz OXTJKMWSLMYYDK-INIZCTEOSA-N 1 1 341.415 0.783 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc2oc(C)nc2c1 ZINC001267203745 836981625 /nfs/dbraw/zinc/98/16/25/836981625.db2.gz JLHFCRPHAZDDAB-LBPRGKRZSA-N 1 1 342.399 0.936 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2oc(C)nc2c1 ZINC001267203745 836981631 /nfs/dbraw/zinc/98/16/31/836981631.db2.gz JLHFCRPHAZDDAB-LBPRGKRZSA-N 1 1 342.399 0.936 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccc2n[nH]cc21 ZINC001267210976 836999318 /nfs/dbraw/zinc/99/93/18/836999318.db2.gz QRGXOTZQAQVKQA-GFCCVEGCSA-N 1 1 327.388 0.362 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc2n[nH]cc21 ZINC001267210976 836999322 /nfs/dbraw/zinc/99/93/22/836999322.db2.gz QRGXOTZQAQVKQA-GFCCVEGCSA-N 1 1 327.388 0.362 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C(C)C)nn1 ZINC001267221163 837012231 /nfs/dbraw/zinc/01/22/31/837012231.db2.gz VONUNKCGMYMJDD-CYBMUJFWSA-N 1 1 336.440 0.381 20 30 ECEDMO C=CCn1cc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C(C)C)nn1 ZINC001267221163 837012243 /nfs/dbraw/zinc/01/22/43/837012243.db2.gz VONUNKCGMYMJDD-CYBMUJFWSA-N 1 1 336.440 0.381 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)Cc1ccccc1NC(C)=O ZINC001267223658 837018942 /nfs/dbraw/zinc/01/89/42/837018942.db2.gz OLNSZTTZWSIING-UHFFFAOYSA-N 1 1 331.416 0.885 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc2nc(C)ccc2o1 ZINC001267226672 837026266 /nfs/dbraw/zinc/02/62/66/837026266.db2.gz NCBOQVFWVSHTFU-CYBMUJFWSA-N 1 1 342.399 0.936 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc2nc(C)ccc2o1 ZINC001267226672 837026276 /nfs/dbraw/zinc/02/62/76/837026276.db2.gz NCBOQVFWVSHTFU-CYBMUJFWSA-N 1 1 342.399 0.936 20 30 ECEDMO COCC#CC[N@@H+](C)CCNC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC001267229086 837027877 /nfs/dbraw/zinc/02/78/77/837027877.db2.gz HRTNJOWTGNPWMU-OAHLLOKOSA-N 1 1 331.416 0.503 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1c(C)[nH]nc1Cl ZINC001267242744 837051519 /nfs/dbraw/zinc/05/15/19/837051519.db2.gz WQFFFAIOQOUBHP-NSHDSACASA-N 1 1 339.827 0.561 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1c(C)[nH]nc1Cl ZINC001267242744 837051529 /nfs/dbraw/zinc/05/15/29/837051529.db2.gz WQFFFAIOQOUBHP-NSHDSACASA-N 1 1 339.827 0.561 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)COCC1CCCC1 ZINC001267269119 837107206 /nfs/dbraw/zinc/10/72/06/837107206.db2.gz KQGGQAOKBCGXBV-WBVHZDCISA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)COCC1CCCC1 ZINC001267269119 837107209 /nfs/dbraw/zinc/10/72/09/837107209.db2.gz KQGGQAOKBCGXBV-WBVHZDCISA-N 1 1 349.475 0.912 20 30 ECEDMO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCCC1CCOCC1 ZINC001267268754 837107872 /nfs/dbraw/zinc/10/78/72/837107872.db2.gz FSOHBIWGAGNOBH-KRWDZBQOSA-N 1 1 349.475 0.913 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCCC1CCOCC1 ZINC001267268754 837107877 /nfs/dbraw/zinc/10/78/77/837107877.db2.gz FSOHBIWGAGNOBH-KRWDZBQOSA-N 1 1 349.475 0.913 20 30 ECEDMO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CN(C)C)on1 ZINC001267270011 837108968 /nfs/dbraw/zinc/10/89/68/837108968.db2.gz GACGMVFCPQHJAL-CQSZACIVSA-N 1 1 334.420 0.580 20 30 ECEDMO COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CN(C)C)on1 ZINC001267270011 837108974 /nfs/dbraw/zinc/10/89/74/837108974.db2.gz GACGMVFCPQHJAL-CQSZACIVSA-N 1 1 334.420 0.580 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1nccn1C ZINC001267275480 837118983 /nfs/dbraw/zinc/11/89/83/837118983.db2.gz GLEWRBNHVQKJEN-HUUCEWRRSA-N 1 1 347.463 0.624 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC(C)C)nc1 ZINC001267280219 837127991 /nfs/dbraw/zinc/12/79/91/837127991.db2.gz BQOAHLFXMZEEGS-HNNXBMFYSA-N 1 1 328.416 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC(C)C)nc1 ZINC001267280219 837127994 /nfs/dbraw/zinc/12/79/94/837127994.db2.gz BQOAHLFXMZEEGS-HNNXBMFYSA-N 1 1 328.416 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC(C)C)nc1 ZINC001267280220 837128030 /nfs/dbraw/zinc/12/80/30/837128030.db2.gz BQOAHLFXMZEEGS-OAHLLOKOSA-N 1 1 328.416 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC(C)C)nc1 ZINC001267280220 837128035 /nfs/dbraw/zinc/12/80/35/837128035.db2.gz BQOAHLFXMZEEGS-OAHLLOKOSA-N 1 1 328.416 0.782 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001267296270 837154504 /nfs/dbraw/zinc/15/45/04/837154504.db2.gz KAYVUXGDNKEHTQ-CYBMUJFWSA-N 1 1 341.415 0.917 20 30 ECEDMO C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001267299322 837164195 /nfs/dbraw/zinc/16/41/95/837164195.db2.gz XQEMUMUGNOKGEC-HIFRSBDPSA-N 1 1 331.420 0.770 20 30 ECEDMO N#Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)C3(C(N)=O)CC3)C2)ccc1F ZINC001267302983 837169335 /nfs/dbraw/zinc/16/93/35/837169335.db2.gz UNOIQZVXKZFDKQ-CYBMUJFWSA-N 1 1 344.390 0.901 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267303499 837170641 /nfs/dbraw/zinc/17/06/41/837170641.db2.gz NIKDIDRKYGRUPL-CQSZACIVSA-N 1 1 331.482 0.672 20 30 ECEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001267303498 837170973 /nfs/dbraw/zinc/17/09/73/837170973.db2.gz NIKDIDRKYGRUPL-AWEZNQCLSA-N 1 1 331.482 0.672 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2ccco2)C1 ZINC001267303971 837171000 /nfs/dbraw/zinc/17/10/00/837171000.db2.gz CLGTXSFAGZBXDR-CABCVRRESA-N 1 1 331.416 0.646 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2ccco2)C1 ZINC001267303975 837171171 /nfs/dbraw/zinc/17/11/71/837171171.db2.gz CLGTXSFAGZBXDR-HUUCEWRRSA-N 1 1 331.416 0.646 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cn(CC)nc2C)C1 ZINC001267304108 837171323 /nfs/dbraw/zinc/17/13/23/837171323.db2.gz VUDMOGAIHUHERF-AWEZNQCLSA-N 1 1 333.436 0.565 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2oc(CC)nc2C)C1 ZINC001267306996 837181418 /nfs/dbraw/zinc/18/14/18/837181418.db2.gz KPYDCBKNOKGAGK-UONOGXRCSA-N 1 1 346.431 0.735 20 30 ECEDMO C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001267308579 837183503 /nfs/dbraw/zinc/18/35/03/837183503.db2.gz BWQBOXXIIWOWGZ-HZPDHXFCSA-N 1 1 325.453 0.348 20 30 ECEDMO CCC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)Cn1cnnn1 ZINC001267310922 837186196 /nfs/dbraw/zinc/18/61/96/837186196.db2.gz GKELHZAMKGBLSM-UHFFFAOYSA-N 1 1 344.394 0.692 20 30 ECEDMO CCC[N@@H+](CCNC(=O)CSCC#N)[C@H]1CCCN(C)C1=O ZINC001267310772 837186448 /nfs/dbraw/zinc/18/64/48/837186448.db2.gz ASXQRQRXGLPQEH-ZDUSSCGKSA-N 1 1 326.466 0.692 20 30 ECEDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001267325763 837202741 /nfs/dbraw/zinc/20/27/41/837202741.db2.gz LTNJPWOTFSZUAH-PBHICJAKSA-N 1 1 347.459 0.664 20 30 ECEDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](CCNC(=O)C#CC1CC1)C1CC1 ZINC001267325763 837202747 /nfs/dbraw/zinc/20/27/47/837202747.db2.gz LTNJPWOTFSZUAH-PBHICJAKSA-N 1 1 347.459 0.664 20 30 ECEDMO C=CCNC(=O)[C@@H](C)N(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001267324971 837203741 /nfs/dbraw/zinc/20/37/41/837203741.db2.gz AHGOQIRLUDRJGF-IIAWOOMASA-N 1 1 336.480 0.598 20 30 ECEDMO C=C1CC(C)(C(=O)NCC[N@H+](CC(=O)NC(=O)NC2CC2)C2CC2)C1 ZINC001267332518 837214171 /nfs/dbraw/zinc/21/41/71/837214171.db2.gz NYRFUGPAZFNNJR-UHFFFAOYSA-N 1 1 348.447 0.912 20 30 ECEDMO C=C1CC(C)(C(=O)NCC[N@@H+](CC(=O)NC(=O)NC2CC2)C2CC2)C1 ZINC001267332518 837214176 /nfs/dbraw/zinc/21/41/76/837214176.db2.gz NYRFUGPAZFNNJR-UHFFFAOYSA-N 1 1 348.447 0.912 20 30 ECEDMO COCC#CC[N@@H+](CCNC(=O)[C@]1(C)CCN(C(C)=O)C1)C1CC1 ZINC001267336189 837220442 /nfs/dbraw/zinc/22/04/42/837220442.db2.gz LANGHUDWHAGMHF-GOSISDBHSA-N 1 1 335.448 0.475 20 30 ECEDMO Cn1cnc(C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)c2ccccc2)c1 ZINC001267356180 837243918 /nfs/dbraw/zinc/24/39/18/837243918.db2.gz BZVZIEDMIWHJHY-CQSZACIVSA-N 1 1 340.387 0.121 20 30 ECEDMO C#CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267585773 837860985 /nfs/dbraw/zinc/86/09/85/837860985.db2.gz CEMSTMCDXYORBS-INIZCTEOSA-N 1 1 346.475 0.145 20 30 ECEDMO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001267585869 837861202 /nfs/dbraw/zinc/86/12/02/837861202.db2.gz FGGFLEWOBIXNDK-INIZCTEOSA-N 1 1 345.443 0.912 20 30 ECEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001267589816 837876392 /nfs/dbraw/zinc/87/63/92/837876392.db2.gz MYXHBPOGNYXEQN-GOEBONIOSA-N 1 1 347.463 0.813 20 30 ECEDMO Cc1ccoc1CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001267590604 837878852 /nfs/dbraw/zinc/87/88/52/837878852.db2.gz WVXUVCBIBVVCRO-AWEZNQCLSA-N 1 1 332.404 0.551 20 30 ECEDMO C=C1CC(C)(C(=O)N2CC[C@H](C[N@@H+](C)CCNS(C)(=O)=O)C2)C1 ZINC001267590878 837880009 /nfs/dbraw/zinc/88/00/09/837880009.db2.gz XOQBHOZNDSUCRA-CQSZACIVSA-N 1 1 343.493 0.672 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC001267591703 837882516 /nfs/dbraw/zinc/88/25/16/837882516.db2.gz HFHXZJJRUXRBQG-CYBMUJFWSA-N 1 1 335.404 0.984 20 30 ECEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001267592110 837884829 /nfs/dbraw/zinc/88/48/29/837884829.db2.gz NVHGYRJWHAMECI-OAHLLOKOSA-N 1 1 345.447 0.185 20 30 ECEDMO Cc1cccnc1C(=O)N1CCC(C[N@H+](C)CC(=O)NCC#N)CC1 ZINC001267598334 837906152 /nfs/dbraw/zinc/90/61/52/837906152.db2.gz AUNWIUGKLQTZMT-UHFFFAOYSA-N 1 1 343.431 0.814 20 30 ECEDMO C#CCCCC(=O)N1CCC(C[N@H+](C)CC(=O)N2CCOCC2)CC1 ZINC001267598565 837907484 /nfs/dbraw/zinc/90/74/84/837907484.db2.gz IRZCECDKTVORJL-UHFFFAOYSA-N 1 1 349.475 0.819 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]2OC)CC1 ZINC001267601151 837920495 /nfs/dbraw/zinc/92/04/95/837920495.db2.gz KZGIGRFFMJMSOQ-IAGOWNOFSA-N 1 1 349.475 0.721 20 30 ECEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CCCOC2)C1 ZINC001267601508 837922272 /nfs/dbraw/zinc/92/22/72/837922272.db2.gz OPISHXDPVFLEPA-CABCVRRESA-N 1 1 336.436 0.271 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001267605240 837940670 /nfs/dbraw/zinc/94/06/70/837940670.db2.gz PCRKLIXOTOFLPZ-DLBZAZTESA-N 1 1 335.448 0.475 20 30 ECEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cc(CC)n(C)n2)C1 ZINC001267605526 837942295 /nfs/dbraw/zinc/94/22/95/837942295.db2.gz WKMQEOLXDHATKW-AWEZNQCLSA-N 1 1 345.447 0.174 20 30 ECEDMO CC#CC[NH+]1CCN(CCN(C)C(=O)CCn2cc(C)cn2)CC1 ZINC001267617707 838040920 /nfs/dbraw/zinc/04/09/20/838040920.db2.gz GKNLAZWWZLMVJF-UHFFFAOYSA-N 1 1 331.464 0.681 20 30 ECEDMO CC#CCN1CC[NH+](CCN(C)C(=O)CCn2cc(C)cn2)CC1 ZINC001267617707 838040931 /nfs/dbraw/zinc/04/09/31/838040931.db2.gz GKNLAZWWZLMVJF-UHFFFAOYSA-N 1 1 331.464 0.681 20 30 ECEDMO C#CCN1CC[NH+](CCN(C)C(=O)[C@H](C)Cc2c(C)n[nH]c2C)CC1 ZINC001267619166 838051611 /nfs/dbraw/zinc/05/16/11/838051611.db2.gz ZOESJFSJKYXPQX-OAHLLOKOSA-N 1 1 345.491 0.914 20 30 ECEDMO C#CC[NH+]1CCN(CCN(C)C(=O)[C@H](C)Cc2c(C)n[nH]c2C)CC1 ZINC001267619166 838051618 /nfs/dbraw/zinc/05/16/18/838051618.db2.gz ZOESJFSJKYXPQX-OAHLLOKOSA-N 1 1 345.491 0.914 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC001267625007 838073377 /nfs/dbraw/zinc/07/33/77/838073377.db2.gz TYDDSBPMKDELRR-YJBOKZPZSA-N 1 1 337.464 0.763 20 30 ECEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC001267625007 838073387 /nfs/dbraw/zinc/07/33/87/838073387.db2.gz TYDDSBPMKDELRR-YJBOKZPZSA-N 1 1 337.464 0.763 20 30 ECEDMO C[N@H+](CC(=O)NCC1CC1)C[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001267625660 838074552 /nfs/dbraw/zinc/07/45/52/838074552.db2.gz OTHXSHXEGSTXGZ-AWEZNQCLSA-N 1 1 338.477 0.550 20 30 ECEDMO C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCC[N@H+](C[C@H](C)OC)C1 ZINC001267634622 838103368 /nfs/dbraw/zinc/10/33/68/838103368.db2.gz HTUUPIUDINBZKN-KBPBESRZSA-N 1 1 340.468 0.866 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2)C1 ZINC001267635868 838106898 /nfs/dbraw/zinc/10/68/98/838106898.db2.gz MDEWDSLPJCAMQH-INIZCTEOSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ccnc2)C1 ZINC001267635868 838106904 /nfs/dbraw/zinc/10/69/04/838106904.db2.gz MDEWDSLPJCAMQH-INIZCTEOSA-N 1 1 345.447 0.664 20 30 ECEDMO C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC001267646056 838131476 /nfs/dbraw/zinc/13/14/76/838131476.db2.gz KYDCRCLJNJMEES-CQSZACIVSA-N 1 1 333.436 0.425 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC2CC2)C1 ZINC001267647289 838134424 /nfs/dbraw/zinc/13/44/24/838134424.db2.gz WAFNNIVYQYRUFP-GDBMZVCRSA-N 1 1 335.448 0.331 20 30 ECEDMO N#CCNC(=O)CN1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001267656909 838168710 /nfs/dbraw/zinc/16/87/10/838168710.db2.gz ZZPYFXLCOXSMKV-INIZCTEOSA-N 1 1 347.463 0.224 20 30 ECEDMO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001267667135 838194685 /nfs/dbraw/zinc/19/46/85/838194685.db2.gz ZVCQCNDTGZSSQL-AWEZNQCLSA-N 1 1 341.415 0.748 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2csnn2)C1 ZINC001267671802 838205594 /nfs/dbraw/zinc/20/55/94/838205594.db2.gz WVBOHCXMKWQBFJ-VXGBXAGGSA-N 1 1 335.433 0.070 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC001267683066 838244046 /nfs/dbraw/zinc/24/40/46/838244046.db2.gz JBQJLQJRIUXZSH-HZPDHXFCSA-N 1 1 344.459 0.865 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001267685189 838247860 /nfs/dbraw/zinc/24/78/60/838247860.db2.gz AERGQNZBMRTAPI-GFCCVEGCSA-N 1 1 341.415 0.915 20 30 ECEDMO COCC#CC[NH+]1CC(CNC(=O)[C@H](C)NC(=O)c2cccs2)C1 ZINC001267686975 838250136 /nfs/dbraw/zinc/25/01/36/838250136.db2.gz VNYIMHOXSYWACY-ZDUSSCGKSA-N 1 1 349.456 0.564 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H](CC(C)C)OC)C2)C1=O ZINC001267693140 838272422 /nfs/dbraw/zinc/27/24/22/838272422.db2.gz UEOREQHSTFBPNE-JKSUJKDBSA-N 1 1 337.464 0.882 20 30 ECEDMO COCCC(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267696470 838285589 /nfs/dbraw/zinc/28/55/89/838285589.db2.gz HDCMOAXSMLPDFQ-CQSZACIVSA-N 1 1 338.452 0.469 20 30 ECEDMO CCCc1nc(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C2)co1 ZINC001267697490 838287146 /nfs/dbraw/zinc/28/71/46/838287146.db2.gz RXMMXEVOJMOOPO-CYBMUJFWSA-N 1 1 347.419 0.661 20 30 ECEDMO CCN(CCNC(=O)Cn1c[nH+]cc1C)C(=O)c1ccc(C#N)[nH]1 ZINC001408769429 838376556 /nfs/dbraw/zinc/37/65/56/838376556.db2.gz NTTKGDOFIBLMTN-UHFFFAOYSA-N 1 1 328.376 0.670 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001267722429 838377736 /nfs/dbraw/zinc/37/77/36/838377736.db2.gz GWTGZWRVHSUDBZ-INIZCTEOSA-N 1 1 345.447 0.373 20 30 ECEDMO C#CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001267722429 838377743 /nfs/dbraw/zinc/37/77/43/838377743.db2.gz GWTGZWRVHSUDBZ-INIZCTEOSA-N 1 1 345.447 0.373 20 30 ECEDMO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC001267723253 838379872 /nfs/dbraw/zinc/37/98/72/838379872.db2.gz UMTUVCTWXJDEFR-NEPJUHHUSA-N 1 1 335.408 0.057 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC001267727766 838408697 /nfs/dbraw/zinc/40/86/97/838408697.db2.gz MWMNDKCNPFLVJF-KGLIPLIRSA-N 1 1 333.436 0.532 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC001267727766 838408701 /nfs/dbraw/zinc/40/87/01/838408701.db2.gz MWMNDKCNPFLVJF-KGLIPLIRSA-N 1 1 333.436 0.532 20 30 ECEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001267730588 838417403 /nfs/dbraw/zinc/41/74/03/838417403.db2.gz RXNQNTXXCUYHDU-UONOGXRCSA-N 1 1 337.420 0.043 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)C(=O)NCC(F)F)CC1 ZINC001267733085 838426051 /nfs/dbraw/zinc/42/60/51/838426051.db2.gz BONHXIATVRJVTN-UHFFFAOYSA-N 1 1 345.390 0.188 20 30 ECEDMO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](COC)OC)CC1 ZINC001267745787 838451870 /nfs/dbraw/zinc/45/18/70/838451870.db2.gz FQKUZENBQBMBJH-MRXNPFEDSA-N 1 1 326.437 0.468 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267747168 838453717 /nfs/dbraw/zinc/45/37/17/838453717.db2.gz MFZFXDWFIZJYFX-UKRRQHHQSA-N 1 1 348.447 0.747 20 30 ECEDMO CC#CCCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267747168 838453721 /nfs/dbraw/zinc/45/37/21/838453721.db2.gz MFZFXDWFIZJYFX-UKRRQHHQSA-N 1 1 348.447 0.747 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCC=C)C2)c1 ZINC001267748744 838458795 /nfs/dbraw/zinc/45/87/95/838458795.db2.gz GIEXXCSXLIUOLQ-XJKSGUPXSA-N 1 1 326.400 0.558 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NCC=C)C2)c1 ZINC001267748744 838458799 /nfs/dbraw/zinc/45/87/99/838458799.db2.gz GIEXXCSXLIUOLQ-XJKSGUPXSA-N 1 1 326.400 0.558 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2n[nH]c3ccccc32)C1 ZINC001267753731 838476986 /nfs/dbraw/zinc/47/69/86/838476986.db2.gz DAOKCRFFCUYXRY-CQSZACIVSA-N 1 1 326.400 0.946 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)Cc2n[nH]c3ccccc32)C1 ZINC001267753731 838476989 /nfs/dbraw/zinc/47/69/89/838476989.db2.gz DAOKCRFFCUYXRY-CQSZACIVSA-N 1 1 326.400 0.946 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001267758161 838484279 /nfs/dbraw/zinc/48/42/79/838484279.db2.gz IQDWUCQHFXWSSR-AWEZNQCLSA-N 1 1 329.466 0.521 20 30 ECEDMO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001267758161 838484284 /nfs/dbraw/zinc/48/42/84/838484284.db2.gz IQDWUCQHFXWSSR-AWEZNQCLSA-N 1 1 329.466 0.521 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](N(C)C(=O)CCc3ccon3)C2)C1=O ZINC001267767470 838504970 /nfs/dbraw/zinc/50/49/70/838504970.db2.gz JQJIIKDAHGDDQA-HZPDHXFCSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N(C)C(=O)CCc3ccon3)C2)C1=O ZINC001267767470 838504972 /nfs/dbraw/zinc/50/49/72/838504972.db2.gz JQJIIKDAHGDDQA-HZPDHXFCSA-N 1 1 346.431 0.927 20 30 ECEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001267767480 838505025 /nfs/dbraw/zinc/50/50/25/838505025.db2.gz JQMJKRAOFAYNLT-WBVHZDCISA-N 1 1 343.427 0.825 20 30 ECEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001267767480 838505026 /nfs/dbraw/zinc/50/50/26/838505026.db2.gz JQMJKRAOFAYNLT-WBVHZDCISA-N 1 1 343.427 0.825 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](OC)c2cnn(C)c2)C1 ZINC001267769306 838515052 /nfs/dbraw/zinc/51/50/52/838515052.db2.gz WQGWTSLJEZSMRK-HOTGVXAUSA-N 1 1 334.420 0.290 20 30 ECEDMO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](OC)c2cnn(C)c2)C1 ZINC001267769306 838515056 /nfs/dbraw/zinc/51/50/56/838515056.db2.gz WQGWTSLJEZSMRK-HOTGVXAUSA-N 1 1 334.420 0.290 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(C)n2C)C1 ZINC001267769633 838516254 /nfs/dbraw/zinc/51/62/54/838516254.db2.gz CIZBMDDQZWTYOL-OCCSQVGLSA-N 1 1 333.436 0.566 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnc(C)n2C)C1 ZINC001267769633 838516260 /nfs/dbraw/zinc/51/62/60/838516260.db2.gz CIZBMDDQZWTYOL-OCCSQVGLSA-N 1 1 333.436 0.566 20 30 ECEDMO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2nnc3c2CCCC3)C1 ZINC001267771808 838522876 /nfs/dbraw/zinc/52/28/76/838522876.db2.gz NNSYGQZFRUQVBJ-OAHLLOKOSA-N 1 1 345.447 0.339 20 30 ECEDMO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2nnc3c2CCCC3)C1 ZINC001267771808 838522882 /nfs/dbraw/zinc/52/28/82/838522882.db2.gz NNSYGQZFRUQVBJ-OAHLLOKOSA-N 1 1 345.447 0.339 20 30 ECEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001267775442 838538305 /nfs/dbraw/zinc/53/83/05/838538305.db2.gz RNTXDNHSAJDAHW-CQSZACIVSA-N 1 1 331.482 0.767 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C(N)=O)cc2)C1 ZINC001267776959 838541449 /nfs/dbraw/zinc/54/14/49/838541449.db2.gz HLYCBBBVUPGIOA-OAHLLOKOSA-N 1 1 329.400 0.720 20 30 ECEDMO C=CCOCC(=O)N(CC)[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267781162 838553680 /nfs/dbraw/zinc/55/36/80/838553680.db2.gz CZDMMTOMGZUPCV-AWEZNQCLSA-N 1 1 337.420 0.261 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001267784406 838560086 /nfs/dbraw/zinc/56/00/86/838560086.db2.gz PLEYWYYTGYOTBR-INIZCTEOSA-N 1 1 335.448 0.427 20 30 ECEDMO CCN(C(=O)C#CC(C)C)[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001267784406 838560094 /nfs/dbraw/zinc/56/00/94/838560094.db2.gz PLEYWYYTGYOTBR-INIZCTEOSA-N 1 1 335.448 0.427 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001267786763 838566806 /nfs/dbraw/zinc/56/68/06/838566806.db2.gz PFMGWYNPVCLCNA-GJZGRUSLSA-N 1 1 337.464 0.862 20 30 ECEDMO C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001267786763 838566809 /nfs/dbraw/zinc/56/68/09/838566809.db2.gz PFMGWYNPVCLCNA-GJZGRUSLSA-N 1 1 337.464 0.862 20 30 ECEDMO C=CCN1CC[C@H]([NH2+][C@H](CC)CNC(=O)c2[nH]nc3c2CCC3)C1=O ZINC001267810731 838592118 /nfs/dbraw/zinc/59/21/18/838592118.db2.gz LSOYDQYCKTVERJ-DOMZBBRYSA-N 1 1 345.447 0.783 20 30 ECEDMO C[C@@H](CNC(=O)Cc1[nH]nc2ccccc21)C[NH2+]CC(=O)NCC#N ZINC001268015466 838978078 /nfs/dbraw/zinc/97/80/78/838978078.db2.gz NGNOBGYOVTWWEY-GFCCVEGCSA-N 1 1 342.403 0.087 20 30 ECEDMO C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)C1=COCCC1)CC2 ZINC001268043246 839191883 /nfs/dbraw/zinc/19/18/83/839191883.db2.gz FZTWMZVMIQPPQW-UHFFFAOYSA-N 1 1 333.432 0.907 20 30 ECEDMO C#CCO[C@H](C)C(=O)N1CCC2(C[NH+]([C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC001268043776 839195403 /nfs/dbraw/zinc/19/54/03/839195403.db2.gz OSZDKXCIDOPONU-LSDHHAIUSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCOC1)CC2 ZINC001268043720 839196630 /nfs/dbraw/zinc/19/66/30/839196630.db2.gz NSDMHPDAAYTTTA-CVEARBPZSA-N 1 1 347.459 0.475 20 30 ECEDMO C=CCNC(=O)CN1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001268045123 839205642 /nfs/dbraw/zinc/20/56/42/839205642.db2.gz RNJNYHXTRADKLI-MRXNPFEDSA-N 1 1 348.491 0.697 20 30 ECEDMO COCC#CC[NH+]1CC2(C1)CCN(C(=O)c1cnn(C)c1OC)CC2 ZINC001268046869 839214577 /nfs/dbraw/zinc/21/45/77/839214577.db2.gz NNRKSIUUZJPTDI-UHFFFAOYSA-N 1 1 346.431 0.617 20 30 ECEDMO CCCn1cc(C(=O)N2CCC3(C[NH+](CC#CCOC)C3)CC2)nn1 ZINC001268047336 839218607 /nfs/dbraw/zinc/21/86/07/839218607.db2.gz ZXFLPRAWVIFIRS-UHFFFAOYSA-N 1 1 345.447 0.876 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H](C)n3cncn3)CC2)C1=O ZINC000981011028 839331897 /nfs/dbraw/zinc/33/18/97/839331897.db2.gz YNNMZSGBMOXWMJ-LSDHHAIUSA-N 1 1 346.435 0.160 20 30 ECEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H](C)n3cncn3)CC2)C1=O ZINC000981011028 839331919 /nfs/dbraw/zinc/33/19/19/839331919.db2.gz YNNMZSGBMOXWMJ-LSDHHAIUSA-N 1 1 346.435 0.160 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1C#N ZINC000174957076 231354353 /nfs/dbraw/zinc/35/43/53/231354353.db2.gz RDQYGVDEBAKSLT-ZDUSSCGKSA-N 1 1 344.415 0.890 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000178149551 530056008 /nfs/dbraw/zinc/05/60/08/530056008.db2.gz YDNHFLIHTWKROC-CYBMUJFWSA-N 1 1 332.429 0.998 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)COc2ccccc2C#N)CC1 ZINC000068599294 215320965 /nfs/dbraw/zinc/32/09/65/215320965.db2.gz TZBUMEOUULTTCV-UHFFFAOYSA-N 1 1 344.415 0.606 20 30 ECEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)CCCCC1 ZINC000129353064 283047857 /nfs/dbraw/zinc/04/78/57/283047857.db2.gz SFHCGCIMXMLJHS-INIZCTEOSA-N 1 1 334.464 0.983 20 30 ECEDMO N#CC1(NC(=O)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)CCCCC1 ZINC000129353064 283047858 /nfs/dbraw/zinc/04/78/58/283047858.db2.gz SFHCGCIMXMLJHS-INIZCTEOSA-N 1 1 334.464 0.983 20 30 ECEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 ZINC001041673406 781962916 /nfs/dbraw/zinc/96/29/16/781962916.db2.gz XAQWMMAHFKUXAJ-DAYGRLMNSA-N 1 1 335.448 0.733 20 30 ECEDMO COC[C@H](C)OC[C@H](O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000447012943 211166232 /nfs/dbraw/zinc/16/62/32/211166232.db2.gz JBMUXWMICZBAII-GOEBONIOSA-N 1 1 334.420 0.488 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267635733 251212024 /nfs/dbraw/zinc/21/20/24/251212024.db2.gz UFDHRIFGNRVWTR-RHSMWYFYSA-N 1 1 346.431 0.510 20 30 ECEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267635733 251212030 /nfs/dbraw/zinc/21/20/30/251212030.db2.gz UFDHRIFGNRVWTR-RHSMWYFYSA-N 1 1 346.431 0.510 20 30 ECEDMO CS(=O)(=O)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000429395461 210315529 /nfs/dbraw/zinc/31/55/29/210315529.db2.gz STPBLSRPYUQRKS-LSDHHAIUSA-N 1 1 338.429 0.664 20 30 ECEDMO CS(=O)(=O)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000429395461 210315531 /nfs/dbraw/zinc/31/55/31/210315531.db2.gz STPBLSRPYUQRKS-LSDHHAIUSA-N 1 1 338.429 0.664 20 30 ECEDMO C[NH+]1CCN([C@@H](C(=O)N2CCO[C@H](C#N)C2)c2ccccc2)CC1 ZINC000106291826 254490825 /nfs/dbraw/zinc/49/08/25/254490825.db2.gz SEPOHOPBOQCMMJ-IAGOWNOFSA-N 1 1 328.416 0.726 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000363628792 254743858 /nfs/dbraw/zinc/74/38/58/254743858.db2.gz SQRJWAFGSUYTHL-CYBMUJFWSA-N 1 1 331.482 0.813 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000118124223 221125039 /nfs/dbraw/zinc/12/50/39/221125039.db2.gz CJBOXKDMRLJOJJ-OAHLLOKOSA-N 1 1 330.388 0.724 20 30 ECEDMO COCC[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)N(C)C ZINC000118827962 221190091 /nfs/dbraw/zinc/19/00/91/221190091.db2.gz CLCLLKQLCKQPJF-UHFFFAOYSA-N 1 1 332.404 0.923 20 30 ECEDMO COCC[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)N(C)C ZINC000118827962 221190093 /nfs/dbraw/zinc/19/00/93/221190093.db2.gz CLCLLKQLCKQPJF-UHFFFAOYSA-N 1 1 332.404 0.923 20 30 ECEDMO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001077963522 782026077 /nfs/dbraw/zinc/02/60/77/782026077.db2.gz VLSANTJXMSXVJM-GJZGRUSLSA-N 1 1 341.452 0.309 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000611577613 420624377 /nfs/dbraw/zinc/62/43/77/420624377.db2.gz IFBDRRSCUPUMCZ-UHFFFAOYSA-N 1 1 337.428 0.016 20 30 ECEDMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000270159921 263224233 /nfs/dbraw/zinc/22/42/33/263224233.db2.gz IFJFGQFMIKMPKD-UHFFFAOYSA-N 1 1 330.388 0.142 20 30 ECEDMO Cc1oc(C#N)cc1C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000280553097 263939779 /nfs/dbraw/zinc/93/97/79/263939779.db2.gz FBWWWWMEDOFHJE-LBPRGKRZSA-N 1 1 339.417 0.651 20 30 ECEDMO C[N@H+]1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000282706098 264057941 /nfs/dbraw/zinc/05/79/41/264057941.db2.gz YHAAIWHUMASQQM-UHFFFAOYSA-N 1 1 336.461 0.863 20 30 ECEDMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)cc3C#N)[C@H]2C1 ZINC000284348580 264202315 /nfs/dbraw/zinc/20/23/15/264202315.db2.gz AITSSTAETPJGRB-UONOGXRCSA-N 1 1 339.392 0.791 20 30 ECEDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)cc3C#N)[C@H]2C1 ZINC000284348580 264202317 /nfs/dbraw/zinc/20/23/17/264202317.db2.gz AITSSTAETPJGRB-UONOGXRCSA-N 1 1 339.392 0.791 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000284428547 264212296 /nfs/dbraw/zinc/21/22/96/264212296.db2.gz YJGMKMIJPSGTDZ-ZIAGYGMSSA-N 1 1 344.371 0.854 20 30 ECEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000284428547 264212299 /nfs/dbraw/zinc/21/22/99/264212299.db2.gz YJGMKMIJPSGTDZ-ZIAGYGMSSA-N 1 1 344.371 0.854 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cscc2C#N)CC1 ZINC000343077351 270006106 /nfs/dbraw/zinc/00/61/06/270006106.db2.gz UJTTWAKNNBWNOS-CQSZACIVSA-N 1 1 332.429 0.998 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000365015148 270007301 /nfs/dbraw/zinc/00/73/01/270007301.db2.gz GBDTYMGRUCEZTQ-IRXDYDNUSA-N 1 1 349.456 0.919 20 30 ECEDMO CCC[C@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[N@H+]1CCOC ZINC000336991708 266080396 /nfs/dbraw/zinc/08/03/96/266080396.db2.gz LLRZVDKCSVWIJR-KBPBESRZSA-N 1 1 334.424 0.670 20 30 ECEDMO CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)CCN2C1=O ZINC000363826588 266141569 /nfs/dbraw/zinc/14/15/69/266141569.db2.gz VYSBJBWTONNSNE-LSDHHAIUSA-N 1 1 328.372 0.560 20 30 ECEDMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370740121 266165664 /nfs/dbraw/zinc/16/56/64/266165664.db2.gz RBAIUKUSSKFDRG-DGCLKSJQSA-N 1 1 331.376 0.641 20 30 ECEDMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370740121 266165666 /nfs/dbraw/zinc/16/56/66/266165666.db2.gz RBAIUKUSSKFDRG-DGCLKSJQSA-N 1 1 331.376 0.641 20 30 ECEDMO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(C#N)cc1 ZINC000340148046 266945657 /nfs/dbraw/zinc/94/56/57/266945657.db2.gz HQCOEOWDKYMQFA-CZUORRHYSA-N 1 1 343.431 0.097 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373444383 267046078 /nfs/dbraw/zinc/04/60/78/267046078.db2.gz VXKXCRYSOJSBJY-DOMZBBRYSA-N 1 1 343.435 0.979 20 30 ECEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373444387 267046149 /nfs/dbraw/zinc/04/61/49/267046149.db2.gz VXKXCRYSOJSBJY-IUODEOHRSA-N 1 1 343.435 0.979 20 30 ECEDMO C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1Cc1cc(C#N)n(C)c1 ZINC000375960587 267232217 /nfs/dbraw/zinc/23/22/17/267232217.db2.gz JJIJIOFCEKAAMC-YJBOKZPZSA-N 1 1 331.464 0.733 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000528842262 267338129 /nfs/dbraw/zinc/33/81/29/267338129.db2.gz CDNCJJFZHUVGMV-INIZCTEOSA-N 1 1 341.415 0.261 20 30 ECEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000362930753 267381265 /nfs/dbraw/zinc/38/12/65/267381265.db2.gz GKNHXPHFQSRZSV-GJZGRUSLSA-N 1 1 342.399 0.785 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000368974542 268068288 /nfs/dbraw/zinc/06/82/88/268068288.db2.gz NYXSIGHMOJJNFV-ZMSDIMECSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000368974542 268068290 /nfs/dbraw/zinc/06/82/90/268068290.db2.gz NYXSIGHMOJJNFV-ZMSDIMECSA-N 1 1 326.400 0.760 20 30 ECEDMO N#Cc1ccnc(N2CC[NH+](CCCOC(=O)NC(N)=O)CC2)c1 ZINC000271479607 268293328 /nfs/dbraw/zinc/29/33/28/268293328.db2.gz IDPRTXLCSDNRJH-UHFFFAOYSA-N 1 1 332.364 0.270 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000377229828 268336122 /nfs/dbraw/zinc/33/61/22/268336122.db2.gz WFAVNZPZLWJPIO-AWEZNQCLSA-N 1 1 347.423 0.046 20 30 ECEDMO C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000329285507 274267470 /nfs/dbraw/zinc/26/74/70/274267470.db2.gz OJVULLKRSRRXHB-IIAWOOMASA-N 1 1 343.493 0.954 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000491072427 275382475 /nfs/dbraw/zinc/38/24/75/275382475.db2.gz SCRPTLDJRNXBHB-KFWWJZLASA-N 1 1 330.384 0.578 20 30 ECEDMO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000245562173 277046180 /nfs/dbraw/zinc/04/61/80/277046180.db2.gz OKKGMNOFHSYPQV-SJORKVTESA-N 1 1 349.479 0.279 20 30 ECEDMO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000245562173 277046182 /nfs/dbraw/zinc/04/61/82/277046182.db2.gz OKKGMNOFHSYPQV-SJORKVTESA-N 1 1 349.479 0.279 20 30 ECEDMO CCCCc1nnc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)s1 ZINC000330716427 437597699 /nfs/dbraw/zinc/59/76/99/437597699.db2.gz UGSBZIXGVSAMOZ-LLVKDONJSA-N 1 1 326.470 1.452 20 30 ECEDMO CC[NH+]1CCN([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC000329821981 279366245 /nfs/dbraw/zinc/36/62/45/279366245.db2.gz ASOXNUUSUDVGEK-JKSUJKDBSA-N 1 1 346.479 0.893 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000283001745 289238231 /nfs/dbraw/zinc/23/82/31/289238231.db2.gz YXARUJZLKWTQIP-CQSZACIVSA-N 1 1 336.461 0.971 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000283001745 289238235 /nfs/dbraw/zinc/23/82/35/289238235.db2.gz YXARUJZLKWTQIP-CQSZACIVSA-N 1 1 336.461 0.971 20 30 ECEDMO CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)S(C)(=O)=O)C2)C1 ZINC001041723117 782057291 /nfs/dbraw/zinc/05/72/91/782057291.db2.gz ZTTHMVDPKFDAFI-INIZCTEOSA-N 1 1 326.462 0.757 20 30 ECEDMO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)S(C)(=O)=O)C2)C1 ZINC001041723117 782057298 /nfs/dbraw/zinc/05/72/98/782057298.db2.gz ZTTHMVDPKFDAFI-INIZCTEOSA-N 1 1 326.462 0.757 20 30 ECEDMO O=C(NCC[NH+]1CCSCC1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000328976428 295377696 /nfs/dbraw/zinc/37/76/96/295377696.db2.gz CZHUVYNNMPLHNN-ZNMIVQPWSA-N 1 1 343.493 0.811 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000072813332 436057582 /nfs/dbraw/zinc/05/75/82/436057582.db2.gz AIVMJYSOAGZUDX-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000072813332 436057583 /nfs/dbraw/zinc/05/75/83/436057583.db2.gz AIVMJYSOAGZUDX-GOSISDBHSA-N 1 1 342.443 0.923 20 30 ECEDMO C[C@](O)(CNC(=O)NCC#Cc1ccccc1)C[NH+]1CCOCC1 ZINC000073571660 436080621 /nfs/dbraw/zinc/08/06/21/436080621.db2.gz VZZFJVCOIITXPL-SFHVURJKSA-N 1 1 331.416 0.421 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000023266470 436125059 /nfs/dbraw/zinc/12/50/59/436125059.db2.gz LXMMWQQHPAJIMD-MRXNPFEDSA-N 1 1 333.432 0.346 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CC[NH+](CCOC(C)C)CC2)nc1 ZINC000074773397 436140428 /nfs/dbraw/zinc/14/04/28/436140428.db2.gz VTLLJJTVYWUKID-UHFFFAOYSA-N 1 1 330.432 0.992 20 30 ECEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000075862510 436179951 /nfs/dbraw/zinc/17/99/51/436179951.db2.gz UZEQOLNTPXNQPZ-NSHDSACASA-N 1 1 334.342 0.749 20 30 ECEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000075862510 436179958 /nfs/dbraw/zinc/17/99/58/436179958.db2.gz UZEQOLNTPXNQPZ-NSHDSACASA-N 1 1 334.342 0.749 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCCN(CC(F)F)CC2)CC1 ZINC000091083077 436440794 /nfs/dbraw/zinc/44/07/94/436440794.db2.gz BOSWSWYHUJBJIR-UHFFFAOYSA-N 1 1 328.407 0.037 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCCN(CC(F)F)CC2)CC1 ZINC000091083077 436440796 /nfs/dbraw/zinc/44/07/96/436440796.db2.gz BOSWSWYHUJBJIR-UHFFFAOYSA-N 1 1 328.407 0.037 20 30 ECEDMO C#CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000091210729 436444172 /nfs/dbraw/zinc/44/41/72/436444172.db2.gz CCRQITIPZUNZLY-CABCVRRESA-N 1 1 341.477 0.693 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000091622038 436453973 /nfs/dbraw/zinc/45/39/73/436453973.db2.gz AYYMXWRDNYYMKQ-MSOLQXFVSA-N 1 1 347.507 0.849 20 30 ECEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000089992135 436424699 /nfs/dbraw/zinc/42/46/99/436424699.db2.gz KHRCLLVDIGEMDO-CYBMUJFWSA-N 1 1 329.466 0.576 20 30 ECEDMO C=CCNC(=O)[C@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093261583 436483852 /nfs/dbraw/zinc/48/38/52/436483852.db2.gz PSIWOECQXSUKEU-LBPRGKRZSA-N 1 1 332.404 0.714 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H](O)C3)CC2)o1 ZINC000093342752 436485470 /nfs/dbraw/zinc/48/54/70/436485470.db2.gz KSICAVZAEJJJJE-SWLSCSKDSA-N 1 1 347.419 0.206 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCC#N)CCC#N)CC1=O ZINC000105328270 436574261 /nfs/dbraw/zinc/57/42/61/436574261.db2.gz JZLJLALZOAPZLE-HZPDHXFCSA-N 1 1 345.447 0.975 20 30 ECEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000109143451 436623938 /nfs/dbraw/zinc/62/39/38/436623938.db2.gz YYNAWYUGTNELIM-MRXNPFEDSA-N 1 1 334.464 0.935 20 30 ECEDMO CS(=O)(=O)NCCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000107298153 436610485 /nfs/dbraw/zinc/61/04/85/436610485.db2.gz QXGUCHDNDUUTHC-UHFFFAOYSA-N 1 1 336.461 0.615 20 30 ECEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000061049224 436636062 /nfs/dbraw/zinc/63/60/62/436636062.db2.gz YZQVARYMJHUSAV-UHFFFAOYSA-N 1 1 336.436 0.723 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000064443850 436649083 /nfs/dbraw/zinc/64/90/83/436649083.db2.gz CECOPOYROUNMDS-INIZCTEOSA-N 1 1 327.432 0.861 20 30 ECEDMO C#CCC[NH+]1CCN(CC(=O)Nc2c(C(=O)OCC)cnn2C)CC1 ZINC000272008436 436701273 /nfs/dbraw/zinc/70/12/73/436701273.db2.gz JRBLADIVPUUGED-UHFFFAOYSA-N 1 1 347.419 0.176 20 30 ECEDMO CC[N@@H+](C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000066958677 436703438 /nfs/dbraw/zinc/70/34/38/436703438.db2.gz QTMFGWASKVDXOS-UHFFFAOYSA-N 1 1 338.433 0.247 20 30 ECEDMO C=CC[C@@H](CO)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000273228137 436738680 /nfs/dbraw/zinc/73/86/80/436738680.db2.gz CZSUXOIRSDEUMA-KBPBESRZSA-N 1 1 326.441 0.165 20 30 ECEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000248942829 436813716 /nfs/dbraw/zinc/81/37/16/436813716.db2.gz ADDRYIWXYASWBW-GJZGRUSLSA-N 1 1 334.482 0.686 20 30 ECEDMO C=C(C)C[NH+]1CCC(NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CC1 ZINC000125973797 436781219 /nfs/dbraw/zinc/78/12/19/436781219.db2.gz VISCKPJQRBYRLF-ZDUSSCGKSA-N 1 1 329.466 0.855 20 30 ECEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000246684774 436784209 /nfs/dbraw/zinc/78/42/09/436784209.db2.gz VVEBUJIOLQFQAQ-MAUKXSAKSA-N 1 1 334.464 0.839 20 30 ECEDMO COc1cccc([C@H](CNS(=O)(=O)N(C)CCC#N)[NH+](C)C)c1 ZINC000247988961 436799616 /nfs/dbraw/zinc/79/96/16/436799616.db2.gz LAUAAMFHGJOBSH-HNNXBMFYSA-N 1 1 340.449 0.978 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000293261761 436860797 /nfs/dbraw/zinc/86/07/97/436860797.db2.gz FCRIIUJGZAMMJB-UHFFFAOYSA-N 1 1 348.359 0.613 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000293297249 436864919 /nfs/dbraw/zinc/86/49/19/436864919.db2.gz HGFBZHGCIFSFEZ-UHFFFAOYSA-N 1 1 333.388 0.714 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccnc1-n1cccn1 ZINC000293335739 436867718 /nfs/dbraw/zinc/86/77/18/436867718.db2.gz JSKXYVVKARWFCD-UHFFFAOYSA-N 1 1 340.387 0.277 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000293374236 436871231 /nfs/dbraw/zinc/87/12/31/436871231.db2.gz MKWKXZYLIPVHGG-UHFFFAOYSA-N 1 1 331.372 0.483 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000293908004 436918524 /nfs/dbraw/zinc/91/85/24/436918524.db2.gz FTGOWCBAPMCDTG-KSSFIOAISA-N 1 1 348.447 0.558 20 30 ECEDMO CN(C)c1cc(C#N)cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000293536410 436886384 /nfs/dbraw/zinc/88/63/84/436886384.db2.gz XLKIVACRXCWDOV-MRXNPFEDSA-N 1 1 343.431 0.694 20 30 ECEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261934254 436897993 /nfs/dbraw/zinc/89/79/93/436897993.db2.gz CCOUAROKFGMFEF-CVEARBPZSA-N 1 1 346.479 0.356 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000274948489 436898086 /nfs/dbraw/zinc/89/80/86/436898086.db2.gz OLKXFVVNWDAPPM-CQSZACIVSA-N 1 1 345.399 0.474 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)C(=O)Nc2sccc2C#N)CC1(C)C ZINC000293678539 436899360 /nfs/dbraw/zinc/89/93/60/436899360.db2.gz KDFOCRFQOCPENA-UHFFFAOYSA-N 1 1 349.460 0.700 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275401716 436964113 /nfs/dbraw/zinc/96/41/13/436964113.db2.gz RRCPWQPLRNKQKO-HOTGVXAUSA-N 1 1 342.399 0.125 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000294087378 436933487 /nfs/dbraw/zinc/93/34/87/436933487.db2.gz XFOGDHZGXARCNX-MRXNPFEDSA-N 1 1 341.415 0.178 20 30 ECEDMO C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000276060495 437051237 /nfs/dbraw/zinc/05/12/37/437051237.db2.gz UWFBMZDBWRCYQQ-LBPRGKRZSA-N 1 1 345.403 0.886 20 30 ECEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000285375281 437077437 /nfs/dbraw/zinc/07/74/37/437077437.db2.gz YSTSLHWLPISITR-MLGOLLRUSA-N 1 1 332.408 0.044 20 30 ECEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276281403 437083823 /nfs/dbraw/zinc/08/38/23/437083823.db2.gz FMFGNXPZGLDRPL-BJOHPYRUSA-N 1 1 336.779 0.461 20 30 ECEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276281403 437083827 /nfs/dbraw/zinc/08/38/27/437083827.db2.gz FMFGNXPZGLDRPL-BJOHPYRUSA-N 1 1 336.779 0.461 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000264958368 437102003 /nfs/dbraw/zinc/10/20/03/437102003.db2.gz WAQRWVQANYMMLN-UHFFFAOYSA-N 1 1 344.415 0.412 20 30 ECEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000176370612 437141868 /nfs/dbraw/zinc/14/18/68/437141868.db2.gz RPZDIGDHMOPPAS-KBPBESRZSA-N 1 1 327.392 0.116 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+](CCO)C2CC2)CC1 ZINC000305784166 437164532 /nfs/dbraw/zinc/16/45/32/437164532.db2.gz WQOHEZUEHZYGHD-HNNXBMFYSA-N 1 1 348.472 0.914 20 30 ECEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+](CCO)C2CC2)CC1 ZINC000305784166 437164536 /nfs/dbraw/zinc/16/45/36/437164536.db2.gz WQOHEZUEHZYGHD-HNNXBMFYSA-N 1 1 348.472 0.914 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000286750354 437126208 /nfs/dbraw/zinc/12/62/08/437126208.db2.gz GINVRVLUGCFGDP-JSGCOSHPSA-N 1 1 349.435 0.200 20 30 ECEDMO C[C@](O)(CNC(=O)Nc1ccc(F)c(C#N)c1)C[NH+]1CCOCC1 ZINC000176091898 437129998 /nfs/dbraw/zinc/12/99/98/437129998.db2.gz HLSNUSNJSIVSDC-INIZCTEOSA-N 1 1 336.367 0.902 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)nc1 ZINC000301721859 437131370 /nfs/dbraw/zinc/13/13/70/437131370.db2.gz NFLKWBDTXFQBLN-IAGOWNOFSA-N 1 1 342.443 0.870 20 30 ECEDMO CC(C)[C@H](C(=O)NCCn1cnc(C#N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000286878879 437139923 /nfs/dbraw/zinc/13/99/23/437139923.db2.gz NZHWQFMLGDPYAS-VNHYZAJKSA-N 1 1 334.424 0.400 20 30 ECEDMO CC(C)[C@H](C(=O)NCCn1cnc(C#N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000286878879 437139926 /nfs/dbraw/zinc/13/99/26/437139926.db2.gz NZHWQFMLGDPYAS-VNHYZAJKSA-N 1 1 334.424 0.400 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000332384597 437216902 /nfs/dbraw/zinc/21/69/02/437216902.db2.gz GSGXWAVEYXXQIQ-CHWSQXEVSA-N 1 1 325.438 0.936 20 30 ECEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)N(C)C[C@H](C)C#N ZINC000266132333 437220691 /nfs/dbraw/zinc/22/06/91/437220691.db2.gz RPJPFZFJJMEFOH-OCCSQVGLSA-N 1 1 325.438 0.992 20 30 ECEDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)[C@H]2C1 ZINC000332660402 437240737 /nfs/dbraw/zinc/24/07/37/437240737.db2.gz CIMOMVPKMFRFFV-MELADBBJSA-N 1 1 330.454 0.118 20 30 ECEDMO CNC(=O)NC1CN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000328699335 437253954 /nfs/dbraw/zinc/25/39/54/437253954.db2.gz VMJBMFIUDPKQCZ-UHFFFAOYSA-N 1 1 331.380 0.180 20 30 ECEDMO COCCN(CCC#N)S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000336906415 437307711 /nfs/dbraw/zinc/30/77/11/437307711.db2.gz FGXBJJKFTAZFCY-UHFFFAOYSA-N 1 1 330.454 0.121 20 30 ECEDMO C[NH+](C)[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1cccs1 ZINC000336908940 437309049 /nfs/dbraw/zinc/30/90/49/437309049.db2.gz VXJKSDMHVGEFSH-VXGBXAGGSA-N 1 1 344.462 0.410 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000329123722 437319986 /nfs/dbraw/zinc/31/99/86/437319986.db2.gz LMRGWUDCSYVCRG-QGZVFWFLSA-N 1 1 349.435 0.555 20 30 ECEDMO Cc1[nH+]ccn1CC[NH+]=C([O-])N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000329123722 437319992 /nfs/dbraw/zinc/31/99/92/437319992.db2.gz LMRGWUDCSYVCRG-QGZVFWFLSA-N 1 1 349.435 0.555 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCC(=O)N1CCCCC1 ZINC000328914097 437284707 /nfs/dbraw/zinc/28/47/07/437284707.db2.gz PZLNMNVYXCDMOC-AWEZNQCLSA-N 1 1 325.457 0.138 20 30 ECEDMO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)C[N@H+]1C1CC1 ZINC000329287300 437345563 /nfs/dbraw/zinc/34/55/63/437345563.db2.gz PBHLOPDBXPNSFW-OHUAYANFSA-N 1 1 335.408 0.356 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NCCC[N@H+](C)CCN(C)C)c1C#N ZINC000288723146 437349398 /nfs/dbraw/zinc/34/93/98/437349398.db2.gz GPUQTPAKNARNAV-UHFFFAOYSA-N 1 1 345.447 0.805 20 30 ECEDMO Cc1cccc(NC(=O)C(=O)NCCCN(C)CC[NH+](C)C)c1C#N ZINC000288723146 437349400 /nfs/dbraw/zinc/34/94/00/437349400.db2.gz GPUQTPAKNARNAV-UHFFFAOYSA-N 1 1 345.447 0.805 20 30 ECEDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)C1 ZINC000329308030 437350075 /nfs/dbraw/zinc/35/00/75/437350075.db2.gz ZKWABTJBZJWOBO-BFQNTYOBSA-N 1 1 337.424 0.460 20 30 ECEDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000329321449 437351045 /nfs/dbraw/zinc/35/10/45/437351045.db2.gz UMQNROMCUJROMV-MWLCHTKSSA-N 1 1 334.342 0.890 20 30 ECEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCn1nc2ccccn2c1=O ZINC000329447522 437369005 /nfs/dbraw/zinc/36/90/05/437369005.db2.gz MFFHUIOOEAOQLX-ZDUSSCGKSA-N 1 1 332.408 0.088 20 30 ECEDMO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337026072 437323708 /nfs/dbraw/zinc/32/37/08/437323708.db2.gz BCWBUKDXXGSEGV-LSDHHAIUSA-N 1 1 344.481 0.367 20 30 ECEDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000337057892 437324198 /nfs/dbraw/zinc/32/41/98/437324198.db2.gz DOZGJUCHNHDOBR-UONOGXRCSA-N 1 1 330.454 0.119 20 30 ECEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000337066571 437324751 /nfs/dbraw/zinc/32/47/51/437324751.db2.gz KXXULMHREHKIQL-CABCVRRESA-N 1 1 345.513 0.186 20 30 ECEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CON=C(N)c2cccnc2)C1 ZINC000267433654 437327334 /nfs/dbraw/zinc/32/73/34/437327334.db2.gz OIKYTAFXMBFCSR-HNNXBMFYSA-N 1 1 349.435 0.192 20 30 ECEDMO COc1ccc(CCNC(=[NH2+])NC[C@@H]2CN(C)CCN2C)cc1OC ZINC000267452619 437327634 /nfs/dbraw/zinc/32/76/34/437327634.db2.gz RVNHJJGWLJGSNT-OAHLLOKOSA-N 1 1 349.479 0.396 20 30 ECEDMO N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000337096065 437331142 /nfs/dbraw/zinc/33/11/42/437331142.db2.gz QWCMMAPCWYCBPI-HUUCEWRRSA-N 1 1 342.465 0.310 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000329230985 437338577 /nfs/dbraw/zinc/33/85/77/437338577.db2.gz DWNCKYUIKCTQLA-LBPRGKRZSA-N 1 1 348.394 0.960 20 30 ECEDMO C#CCNc1nc(NC[C@@H]2CCOC2)nc(NC[C@@H]2CCOC2)[nH+]1 ZINC000288609566 437338626 /nfs/dbraw/zinc/33/86/26/437338626.db2.gz WXECRQBDXUEOIZ-STQMWFEESA-N 1 1 332.408 0.814 20 30 ECEDMO C[C@@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)CN1CC[NH+](C)CC1 ZINC000329877999 437425527 /nfs/dbraw/zinc/42/55/27/437425527.db2.gz KBKPBQWUHVBEOP-LBPRGKRZSA-N 1 1 339.440 0.997 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](CCO)c2ccco2)CC1 ZINC000185129467 437426951 /nfs/dbraw/zinc/42/69/51/437426951.db2.gz ZGEADXASYBHVQA-JKSUJKDBSA-N 1 1 348.447 0.985 20 30 ECEDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCOCCC#N)C1 ZINC000338956166 437428631 /nfs/dbraw/zinc/42/86/31/437428631.db2.gz HGDONRXDQABQMY-AWEZNQCLSA-N 1 1 325.409 0.650 20 30 ECEDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CCOCCC#N)C1 ZINC000338956166 437428635 /nfs/dbraw/zinc/42/86/35/437428635.db2.gz HGDONRXDQABQMY-AWEZNQCLSA-N 1 1 325.409 0.650 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1C ZINC000186497443 437474488 /nfs/dbraw/zinc/47/44/88/437474488.db2.gz MNMPIIRZPMMMBF-IRXDYDNUSA-N 1 1 331.416 0.978 20 30 ECEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1C ZINC000186497443 437474493 /nfs/dbraw/zinc/47/44/93/437474493.db2.gz MNMPIIRZPMMMBF-IRXDYDNUSA-N 1 1 331.416 0.978 20 30 ECEDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000268533687 437432080 /nfs/dbraw/zinc/43/20/80/437432080.db2.gz DWVYOEIBGHPUFR-UHFFFAOYSA-N 1 1 328.416 0.989 20 30 ECEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCS(=O)(=O)C1 ZINC000330196674 437467938 /nfs/dbraw/zinc/46/79/38/437467938.db2.gz QQTRMUBMOLVNAI-STQMWFEESA-N 1 1 326.422 0.757 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330370929 437493295 /nfs/dbraw/zinc/49/32/95/437493295.db2.gz HCJSCHSBHBBYTF-MCIONIFRSA-N 1 1 332.470 0.412 20 30 ECEDMO C[C@H](C#N)CN(C)S(=O)(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330370929 437493297 /nfs/dbraw/zinc/49/32/97/437493297.db2.gz HCJSCHSBHBBYTF-MCIONIFRSA-N 1 1 332.470 0.412 20 30 ECEDMO C=CCN1CC[C@H]([NH+]2CCC(N(CC)S(C)(=O)=O)CC2)C1=O ZINC000330381700 437495422 /nfs/dbraw/zinc/49/54/22/437495422.db2.gz INFULKOTBYTIFN-AWEZNQCLSA-N 1 1 329.466 0.519 20 30 ECEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)C1=O ZINC000330384420 437498589 /nfs/dbraw/zinc/49/85/89/437498589.db2.gz KLVGUGXAUKARSY-ZIAGYGMSSA-N 1 1 329.466 0.567 20 30 ECEDMO CCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000330402348 437501512 /nfs/dbraw/zinc/50/15/12/437501512.db2.gz BCUOYPKTRCVRRL-UHFFFAOYSA-N 1 1 326.441 0.471 20 30 ECEDMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000330519599 437538420 /nfs/dbraw/zinc/53/84/20/437538420.db2.gz HMTNRKMLZIBHPF-YNEHKIRRSA-N 1 1 340.424 0.042 20 30 ECEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)Cc2cccnc2)CC1 ZINC000330691655 437591614 /nfs/dbraw/zinc/59/16/14/437591614.db2.gz ZDCNZJYCTFNOJT-UHFFFAOYSA-N 1 1 333.436 0.980 20 30 ECEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H]3CO)CC2)o1 ZINC000190446873 437626855 /nfs/dbraw/zinc/62/68/55/437626855.db2.gz YEOLSCHDFYHCLM-DOMZBBRYSA-N 1 1 347.419 0.206 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000360704791 437632022 /nfs/dbraw/zinc/63/20/22/437632022.db2.gz TVYYODWETXUREK-ZQIUZPCESA-N 1 1 337.420 0.837 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000360704791 437632025 /nfs/dbraw/zinc/63/20/25/437632025.db2.gz TVYYODWETXUREK-ZQIUZPCESA-N 1 1 337.420 0.837 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000360704789 437632234 /nfs/dbraw/zinc/63/22/34/437632234.db2.gz TVYYODWETXUREK-JJRVBVJISA-N 1 1 337.420 0.837 20 30 ECEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000360704789 437632236 /nfs/dbraw/zinc/63/22/36/437632236.db2.gz TVYYODWETXUREK-JJRVBVJISA-N 1 1 337.420 0.837 20 30 ECEDMO CN(C)C(=O)NCCN(C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000330871041 437637915 /nfs/dbraw/zinc/63/79/15/437637915.db2.gz BWTQLUSRDWAVTK-UHFFFAOYSA-N 1 1 335.456 0.136 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000343737044 437643031 /nfs/dbraw/zinc/64/30/31/437643031.db2.gz HOQQCCURMGKECR-NVXWUHKLSA-N 1 1 348.491 0.696 20 30 ECEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1 ZINC000343759716 437648414 /nfs/dbraw/zinc/64/84/14/437648414.db2.gz DHUVGFQLABSFGK-HOCLYGCPSA-N 1 1 334.464 0.306 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000361122888 437656037 /nfs/dbraw/zinc/65/60/37/437656037.db2.gz DUFOMIPUENECQC-INIZCTEOSA-N 1 1 345.447 0.895 20 30 ECEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330970099 437659810 /nfs/dbraw/zinc/65/98/10/437659810.db2.gz MMWNWMQLXHSMTM-JHJVBQTASA-N 1 1 328.413 0.636 20 30 ECEDMO C[C@@H]1C[N@H+](CCN2CCN(c3nccnc3C#N)C[C@@H]2C)CCO1 ZINC000192756868 437692151 /nfs/dbraw/zinc/69/21/51/437692151.db2.gz GLVCRWIOSHUGDW-LSDHHAIUSA-N 1 1 330.436 0.579 20 30 ECEDMO C[C@@H]1C[N@@H+](CCN2CCN(c3nccnc3C#N)C[C@@H]2C)CCO1 ZINC000192756868 437692156 /nfs/dbraw/zinc/69/21/56/437692156.db2.gz GLVCRWIOSHUGDW-LSDHHAIUSA-N 1 1 330.436 0.579 20 30 ECEDMO CC[C@H](CNC(=O)NCC(=O)NCC#N)[N@H+]1CCc2ccccc2C1 ZINC000344012075 437719680 /nfs/dbraw/zinc/71/96/80/437719680.db2.gz XBNKUWUAKYSIOR-MRXNPFEDSA-N 1 1 343.431 0.762 20 30 ECEDMO Cc1cccc(NC(=O)NCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000331177472 437708238 /nfs/dbraw/zinc/70/82/38/437708238.db2.gz QKGGZVFSOULCLJ-CQSZACIVSA-N 1 1 334.420 0.846 20 30 ECEDMO Cc1cccc(NC(=O)NCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000331177472 437708241 /nfs/dbraw/zinc/70/82/41/437708241.db2.gz QKGGZVFSOULCLJ-CQSZACIVSA-N 1 1 334.420 0.846 20 30 ECEDMO C=CC[N@@H+](CCOC)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000361997832 437710953 /nfs/dbraw/zinc/71/09/53/437710953.db2.gz YXIMYXQKKSZRSE-UHFFFAOYSA-N 1 1 341.433 0.797 20 30 ECEDMO C[C@@H](Oc1ccccc1C#N)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340998328 437772044 /nfs/dbraw/zinc/77/20/44/437772044.db2.gz SYCFVYSMOQCBJE-HIFRSBDPSA-N 1 1 344.415 0.782 20 30 ECEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)CN1CCOCC1 ZINC000344062497 437726022 /nfs/dbraw/zinc/72/60/22/437726022.db2.gz CCJPDGCRZBTWLK-GOSISDBHSA-N 1 1 333.432 0.700 20 30 ECEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)CN1CCCC1=O ZINC000344116864 437732770 /nfs/dbraw/zinc/73/27/70/437732770.db2.gz OASWEIOHMQHNAH-QGZVFWFLSA-N 1 1 331.416 0.990 20 30 ECEDMO C[N@H+]1CCN(CCNC(=O)c2coc(S(N)(=O)=O)c2)CC1(C)C ZINC000331293539 437736182 /nfs/dbraw/zinc/73/61/82/437736182.db2.gz XQNYWBVQKXZZAQ-UHFFFAOYSA-N 1 1 344.437 0.258 20 30 ECEDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000355913554 437739434 /nfs/dbraw/zinc/73/94/34/437739434.db2.gz GLYCGIMCFHUNMZ-OAHLLOKOSA-N 1 1 343.362 1.542 20 30 ECEDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000355913554 437739436 /nfs/dbraw/zinc/73/94/36/437739436.db2.gz GLYCGIMCFHUNMZ-OAHLLOKOSA-N 1 1 343.362 1.542 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000346725743 437819357 /nfs/dbraw/zinc/81/93/57/437819357.db2.gz FKAOYULMTTZMES-CYBMUJFWSA-N 1 1 328.294 0.768 20 30 ECEDMO C[C@@H](CNC(=O)N1CCC(F)(C#N)CC1)CN1CC[NH+](C)CC1 ZINC000345101936 437779209 /nfs/dbraw/zinc/77/92/09/437779209.db2.gz GTBYLLQGWNJNJA-AWEZNQCLSA-N 1 1 325.432 0.907 20 30 ECEDMO COC(=O)c1cn([C@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)nn1 ZINC000363905703 437808206 /nfs/dbraw/zinc/80/82/06/437808206.db2.gz DFLQZWIDSYWRCU-GOEBONIOSA-N 1 1 341.371 0.917 20 30 ECEDMO CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347192855 437849574 /nfs/dbraw/zinc/84/95/74/437849574.db2.gz FNGHPFVEDDLZTI-MRXNPFEDSA-N 1 1 337.420 0.841 20 30 ECEDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347192855 437849580 /nfs/dbraw/zinc/84/95/80/437849580.db2.gz FNGHPFVEDDLZTI-MRXNPFEDSA-N 1 1 337.420 0.841 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@]23CCOC3)CC1 ZINC000341959158 437932070 /nfs/dbraw/zinc/93/20/70/437932070.db2.gz WAUTWZMEUWQOOP-FUHWJXTLSA-N 1 1 334.464 0.934 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000371479234 437942708 /nfs/dbraw/zinc/94/27/08/437942708.db2.gz DZCCSCOYJFTVRM-XJKSGUPXSA-N 1 1 348.451 0.404 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357392571 437978521 /nfs/dbraw/zinc/97/85/21/437978521.db2.gz RTGSEBLGHLUMAP-HUUCEWRRSA-N 1 1 340.445 0.518 20 30 ECEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357392571 437978526 /nfs/dbraw/zinc/97/85/26/437978526.db2.gz RTGSEBLGHLUMAP-HUUCEWRRSA-N 1 1 340.445 0.518 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)Nc2snc(C)c2C#N)CC[N@H+](C)C1 ZINC000417097081 438021136 /nfs/dbraw/zinc/02/11/36/438021136.db2.gz AWOHSDNTUJJGNV-SNVBAGLBSA-N 1 1 337.405 0.892 20 30 ECEDMO COC(=O)[C@H]1CN(C(=O)Nc2snc(C)c2C#N)CC[N@@H+](C)C1 ZINC000417097081 438021139 /nfs/dbraw/zinc/02/11/39/438021139.db2.gz AWOHSDNTUJJGNV-SNVBAGLBSA-N 1 1 337.405 0.892 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000425890822 438047737 /nfs/dbraw/zinc/04/77/37/438047737.db2.gz XBPWDRQSOHPXKY-IRXDYDNUSA-N 1 1 345.443 0.942 20 30 ECEDMO C=CCNC(=O)CN1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000357485692 437997938 /nfs/dbraw/zinc/99/79/38/437997938.db2.gz MFCQKOXTGVXSDJ-SFHVURJKSA-N 1 1 344.459 0.736 20 30 ECEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc1 ZINC000357903303 438095799 /nfs/dbraw/zinc/09/57/99/438095799.db2.gz BKPDNAZSKNNIPL-UHFFFAOYSA-N 1 1 345.403 0.791 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366446527 438073070 /nfs/dbraw/zinc/07/30/70/438073070.db2.gz SYBJTZSRXDGKPV-CHWSQXEVSA-N 1 1 329.356 0.540 20 30 ECEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366446530 438074173 /nfs/dbraw/zinc/07/41/73/438074173.db2.gz SYBJTZSRXDGKPV-STQMWFEESA-N 1 1 329.356 0.540 20 30 ECEDMO C=CCNC(=O)CNC(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000348957117 438117805 /nfs/dbraw/zinc/11/78/05/438117805.db2.gz ORWRVILFSMKHIZ-CQSZACIVSA-N 1 1 334.420 0.899 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000373166773 438131869 /nfs/dbraw/zinc/13/18/69/438131869.db2.gz URECGMWCKXJOOB-UHFFFAOYSA-N 1 1 343.431 0.992 20 30 ECEDMO C[C@H]1CN(C(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)C[C@H](C)O1 ZINC000373402529 438149642 /nfs/dbraw/zinc/14/96/42/438149642.db2.gz BIFZOGUZZZNEAA-STQMWFEESA-N 1 1 332.408 0.422 20 30 ECEDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCC(=O)N(C)CCC#N)O1 ZINC000367226100 438185086 /nfs/dbraw/zinc/18/50/86/438185086.db2.gz TXWVHCVCNDDFSS-YJNKXOJESA-N 1 1 337.420 0.932 20 30 ECEDMO C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC[N@H+](C)CCCC)C1=O ZINC000358106034 438153778 /nfs/dbraw/zinc/15/37/78/438153778.db2.gz DSQOMQBURZMKES-AWEZNQCLSA-N 1 1 338.452 0.080 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000374580651 438218197 /nfs/dbraw/zinc/21/81/97/438218197.db2.gz SNXIIPDSNLFTCM-CHWSQXEVSA-N 1 1 332.495 0.588 20 30 ECEDMO C[C@H](CC#N)N(C)S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000374589917 438218404 /nfs/dbraw/zinc/21/84/04/438218404.db2.gz CIGQJEIUKFOUNO-GFCCVEGCSA-N 1 1 325.438 0.830 20 30 ECEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358436078 438225446 /nfs/dbraw/zinc/22/54/46/438225446.db2.gz LXTSDKKDRBXVSJ-KRWDZBQOSA-N 1 1 332.404 0.791 20 30 ECEDMO COC(=O)[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1C1CC1 ZINC000367576590 438225642 /nfs/dbraw/zinc/22/56/42/438225642.db2.gz QWKLHDUCJLZNRL-CABCVRRESA-N 1 1 332.404 0.773 20 30 ECEDMO C=CCNC(=O)c1ccc(NC[C@](C)(O)C[NH+]2CCOCC2)nc1 ZINC000433387634 438246159 /nfs/dbraw/zinc/24/61/59/438246159.db2.gz RNTWKQDEGRNYKO-KRWDZBQOSA-N 1 1 334.420 0.493 20 30 ECEDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000375480820 438256245 /nfs/dbraw/zinc/25/62/45/438256245.db2.gz CWNBGGVORJEBBK-ZDUSSCGKSA-N 1 1 330.388 0.412 20 30 ECEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000375743626 438262562 /nfs/dbraw/zinc/26/25/62/438262562.db2.gz LHUWNFSUQLAACD-DLBZAZTESA-N 1 1 345.447 0.911 20 30 ECEDMO C[N@H+]1CC[C@H](NC(=O)NCC(=O)NCC#N)[C@@H]1c1ccc(F)cc1 ZINC000376248538 438277082 /nfs/dbraw/zinc/27/70/82/438277082.db2.gz DORDQSIYJDCZRE-ZFWWWQNUSA-N 1 1 333.367 0.510 20 30 ECEDMO C#Cc1ccccc1CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000377892163 438330451 /nfs/dbraw/zinc/33/04/51/438330451.db2.gz DWOSRWVUKVBMKH-SFHVURJKSA-N 1 1 339.439 0.975 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434987067 438339506 /nfs/dbraw/zinc/33/95/06/438339506.db2.gz KTOVNBKZXXREGQ-BFYDXBDKSA-N 1 1 340.468 0.054 20 30 ECEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(=O)NCC#N ZINC000377036395 438300490 /nfs/dbraw/zinc/30/04/90/438300490.db2.gz ZABILIFTSHLVNU-MRXNPFEDSA-N 1 1 343.431 0.790 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000377239853 438305706 /nfs/dbraw/zinc/30/57/06/438305706.db2.gz DOHMBMNJILJCPO-QGZVFWFLSA-N 1 1 348.447 0.601 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000377239853 438305710 /nfs/dbraw/zinc/30/57/10/438305710.db2.gz DOHMBMNJILJCPO-QGZVFWFLSA-N 1 1 348.447 0.601 20 30 ECEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC ZINC000377560314 438311019 /nfs/dbraw/zinc/31/10/19/438311019.db2.gz PYFMVNLURDNKAQ-KGLIPLIRSA-N 1 1 336.436 0.864 20 30 ECEDMO N#Cc1ncn(CCNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000368619489 438353474 /nfs/dbraw/zinc/35/34/74/438353474.db2.gz PJWKKKLONZASRF-UONOGXRCSA-N 1 1 347.423 0.092 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000352543240 438437223 /nfs/dbraw/zinc/43/72/23/438437223.db2.gz BTFZPUMWLLITGC-AWEZNQCLSA-N 1 1 344.481 0.352 20 30 ECEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000352543240 438437228 /nfs/dbraw/zinc/43/72/28/438437228.db2.gz BTFZPUMWLLITGC-AWEZNQCLSA-N 1 1 344.481 0.352 20 30 ECEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000437744507 438454398 /nfs/dbraw/zinc/45/43/98/438454398.db2.gz DFPGEOGTLSXJJP-ZNMIVQPWSA-N 1 1 338.452 0.607 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000370080416 438549796 /nfs/dbraw/zinc/54/97/96/438549796.db2.gz FXRIHRHHEHTFQC-WMZOPIPTSA-N 1 1 334.464 0.526 20 30 ECEDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H]1C ZINC000441101993 438576879 /nfs/dbraw/zinc/57/68/79/438576879.db2.gz LPHNIDIWGQSVQH-OLZOCXBDSA-N 1 1 332.408 0.676 20 30 ECEDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H]1C ZINC000441101993 438576881 /nfs/dbraw/zinc/57/68/81/438576881.db2.gz LPHNIDIWGQSVQH-OLZOCXBDSA-N 1 1 332.408 0.676 20 30 ECEDMO C=C(C)CN(C)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000410815492 438661625 /nfs/dbraw/zinc/66/16/25/438661625.db2.gz TUFFMWWEEMVYOZ-SJPCQFCGSA-N 1 1 348.491 0.790 20 30 ECEDMO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000453738261 438692749 /nfs/dbraw/zinc/69/27/49/438692749.db2.gz RPADJEDBHGNIKR-AWEZNQCLSA-N 1 1 344.415 0.720 20 30 ECEDMO COc1ccc(-c2nnn(C[C@H](O)C[N@H+](C)CCC#N)n2)cc1OC ZINC000414104466 438699501 /nfs/dbraw/zinc/69/95/01/438699501.db2.gz FWCLGOZUBZPTFO-CYBMUJFWSA-N 1 1 346.391 0.564 20 30 ECEDMO COc1ccc(-c2nnn(C[C@H](O)C[N@@H+](C)CCC#N)n2)cc1OC ZINC000414104466 438699503 /nfs/dbraw/zinc/69/95/03/438699503.db2.gz FWCLGOZUBZPTFO-CYBMUJFWSA-N 1 1 346.391 0.564 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000453925324 438701602 /nfs/dbraw/zinc/70/16/02/438701602.db2.gz CJKQUWCJKLJGMU-BETUJISGSA-N 1 1 344.415 0.719 20 30 ECEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000453925324 438701605 /nfs/dbraw/zinc/70/16/05/438701605.db2.gz CJKQUWCJKLJGMU-BETUJISGSA-N 1 1 344.415 0.719 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2sccc2C#N)C[C@H](C)[N@H+]1CCO ZINC000453944707 438701987 /nfs/dbraw/zinc/70/19/87/438701987.db2.gz VSXUJOPKVXKFAN-PHIMTYICSA-N 1 1 336.417 0.472 20 30 ECEDMO C[C@@H]1CN(C(=O)C(=O)Nc2sccc2C#N)C[C@H](C)[N@@H+]1CCO ZINC000453944707 438701989 /nfs/dbraw/zinc/70/19/89/438701989.db2.gz VSXUJOPKVXKFAN-PHIMTYICSA-N 1 1 336.417 0.472 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CC12COC2 ZINC000574917029 438727667 /nfs/dbraw/zinc/72/76/67/438727667.db2.gz POMZPTSDZHMLTL-AWEZNQCLSA-N 1 1 341.371 0.612 20 30 ECEDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC12COC2 ZINC000574917029 438727671 /nfs/dbraw/zinc/72/76/71/438727671.db2.gz POMZPTSDZHMLTL-AWEZNQCLSA-N 1 1 341.371 0.612 20 30 ECEDMO CN(CCC#N)C[C@H](O)CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000575862672 438757071 /nfs/dbraw/zinc/75/70/71/438757071.db2.gz IXPYZLZOXLHRKQ-ZWKOTPCHSA-N 1 1 332.448 0.871 20 30 ECEDMO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)ncc1C#N ZINC000457552321 438810251 /nfs/dbraw/zinc/81/02/51/438810251.db2.gz HHJDHRCUIQLCRQ-INIZCTEOSA-N 1 1 341.415 0.640 20 30 ECEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@@H]1C ZINC000588124939 438820002 /nfs/dbraw/zinc/82/00/02/438820002.db2.gz QEGLJPKEVPQQLR-UONOGXRCSA-N 1 1 335.452 0.032 20 30 ECEDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@@H]1C ZINC000588124939 438820006 /nfs/dbraw/zinc/82/00/06/438820006.db2.gz QEGLJPKEVPQQLR-UONOGXRCSA-N 1 1 335.452 0.032 20 30 ECEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588861366 438846470 /nfs/dbraw/zinc/84/64/70/438846470.db2.gz SONYMCUNOCGEJI-CABCVRRESA-N 1 1 345.399 0.613 20 30 ECEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000595832818 438868311 /nfs/dbraw/zinc/86/83/11/438868311.db2.gz QPVHZSXSUAUHCU-ZACQAIPSSA-N 1 1 334.464 0.647 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@](C)(C#N)C1)c(=O)n2C ZINC000595841498 438868319 /nfs/dbraw/zinc/86/83/19/438868319.db2.gz VIRYSNHFTIOZGA-INIZCTEOSA-N 1 1 330.392 0.059 20 30 ECEDMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@@](C)(C#N)C1)c(=O)n2C ZINC000595841498 438868322 /nfs/dbraw/zinc/86/83/22/438868322.db2.gz VIRYSNHFTIOZGA-INIZCTEOSA-N 1 1 330.392 0.059 20 30 ECEDMO N#Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000589422281 438870730 /nfs/dbraw/zinc/87/07/30/438870730.db2.gz OTWKOHPJZZRJEX-OAHLLOKOSA-N 1 1 329.404 0.090 20 30 ECEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595869750 438874615 /nfs/dbraw/zinc/87/46/15/438874615.db2.gz YCAHVEXZXSSCBG-UWWQBHOKSA-N 1 1 336.480 0.960 20 30 ECEDMO COCC[N@H+](C)CCNS(=O)(=O)c1c(C)cc(F)cc1C#N ZINC000601399934 438876694 /nfs/dbraw/zinc/87/66/94/438876694.db2.gz UTGLLXGUPMQVHO-UHFFFAOYSA-N 1 1 329.397 0.862 20 30 ECEDMO COCC[N@@H+](C)CCNS(=O)(=O)c1c(C)cc(F)cc1C#N ZINC000601399934 438876699 /nfs/dbraw/zinc/87/66/99/438876699.db2.gz UTGLLXGUPMQVHO-UHFFFAOYSA-N 1 1 329.397 0.862 20 30 ECEDMO C=CCC[C@@H](CO)NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000458434297 438882978 /nfs/dbraw/zinc/88/29/78/438882978.db2.gz JIWGJGBDLWPAEP-HOTGVXAUSA-N 1 1 326.485 0.886 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000601425540 438888875 /nfs/dbraw/zinc/88/88/75/438888875.db2.gz RVEXCNVTHWPERM-HNNXBMFYSA-N 1 1 337.445 0.878 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000601425540 438888879 /nfs/dbraw/zinc/88/88/79/438888879.db2.gz RVEXCNVTHWPERM-HNNXBMFYSA-N 1 1 337.445 0.878 20 30 ECEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601532000 438928345 /nfs/dbraw/zinc/92/83/45/438928345.db2.gz HGMVDEAMDIXLPH-AWEZNQCLSA-N 1 1 335.452 0.033 20 30 ECEDMO Cc1cc(NCC(F)(F)CO)c(C#N)c(NCC(F)(F)CO)[nH+]1 ZINC000596195907 438937981 /nfs/dbraw/zinc/93/79/81/438937981.db2.gz OQTKYQCPWFWMIB-UHFFFAOYSA-N 1 1 336.289 1.341 20 30 ECEDMO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000590762266 438955551 /nfs/dbraw/zinc/95/55/51/438955551.db2.gz MUWMQDNMOVMACI-QLFBSQMISA-N 1 1 348.472 0.912 20 30 ECEDMO CNC(=O)C[NH+]1CCC(Nc2ccc(C(=O)OC)nc2C#N)CC1 ZINC000579024373 438974321 /nfs/dbraw/zinc/97/43/21/438974321.db2.gz HLHYVOPPMOQAIH-UHFFFAOYSA-N 1 1 331.376 0.362 20 30 ECEDMO COC[C@@]1(C(N)=O)CCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000591646351 439046518 /nfs/dbraw/zinc/04/65/18/439046518.db2.gz BHTVTAFXMLSPLD-QGZVFWFLSA-N 1 1 333.388 0.912 20 30 ECEDMO COC[C@@]1(C(N)=O)CCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000591646351 439046522 /nfs/dbraw/zinc/04/65/22/439046522.db2.gz BHTVTAFXMLSPLD-QGZVFWFLSA-N 1 1 333.388 0.912 20 30 ECEDMO N#CCCN1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000602273361 439054415 /nfs/dbraw/zinc/05/44/15/439054415.db2.gz MUBSUNLNFFJQQM-MRXNPFEDSA-N 1 1 347.463 0.177 20 30 ECEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602274711 439055524 /nfs/dbraw/zinc/05/55/24/439055524.db2.gz BWSUMIKPQMSOKB-OAHLLOKOSA-N 1 1 349.479 0.281 20 30 ECEDMO CCN(C(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CC[N@@H+](C)C1 ZINC000597240965 439061850 /nfs/dbraw/zinc/06/18/50/439061850.db2.gz BCFJEUYXPVHEQD-CQSZACIVSA-N 1 1 332.379 0.866 20 30 ECEDMO C[C@H]1COCC[N@H+]1C1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000519803910 439065738 /nfs/dbraw/zinc/06/57/38/439065738.db2.gz YKNJEGAKBKEMKM-INIZCTEOSA-N 1 1 347.463 0.827 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000597317209 439076567 /nfs/dbraw/zinc/07/65/67/439076567.db2.gz GEMQTIUAMWPQCD-CHWSQXEVSA-N 1 1 329.466 0.247 20 30 ECEDMO C=CCCSCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000597317209 439076572 /nfs/dbraw/zinc/07/65/72/439076572.db2.gz GEMQTIUAMWPQCD-CHWSQXEVSA-N 1 1 329.466 0.247 20 30 ECEDMO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149086 439167769 /nfs/dbraw/zinc/16/77/69/439167769.db2.gz IPCUSBFXVVPXRB-ACJLOTCBSA-N 1 1 345.399 0.828 20 30 ECEDMO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149086 439167772 /nfs/dbraw/zinc/16/77/72/439167772.db2.gz IPCUSBFXVVPXRB-ACJLOTCBSA-N 1 1 345.399 0.828 20 30 ECEDMO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000597626996 439143625 /nfs/dbraw/zinc/14/36/25/439143625.db2.gz WFMAJVIQYUTLQR-QZTJIDSGSA-N 1 1 337.427 0.747 20 30 ECEDMO CC1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)CC1 ZINC000567498632 439148015 /nfs/dbraw/zinc/14/80/15/439148015.db2.gz HWMDUAFDYJJHKO-ZBFHGGJFSA-N 1 1 332.452 0.479 20 30 ECEDMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2nn(C)cc2C#N)CC1 ZINC000602880925 439151125 /nfs/dbraw/zinc/15/11/25/439151125.db2.gz OJJHQBNMZRGRNU-UHFFFAOYSA-N 1 1 333.440 0.829 20 30 ECEDMO CC[C@]1(O)CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000602983189 439175368 /nfs/dbraw/zinc/17/53/68/439175368.db2.gz DNMUUGSIRMVUNB-AEFFLSMTSA-N 1 1 336.480 0.916 20 30 ECEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000597937021 439199305 /nfs/dbraw/zinc/19/93/05/439199305.db2.gz IVKYKDJKJLDTIE-AWEZNQCLSA-N 1 1 334.445 0.989 20 30 ECEDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccsc3C#N)CC2)C1 ZINC000597937021 439199309 /nfs/dbraw/zinc/19/93/09/439199309.db2.gz IVKYKDJKJLDTIE-AWEZNQCLSA-N 1 1 334.445 0.989 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000490594038 439275533 /nfs/dbraw/zinc/27/55/33/439275533.db2.gz KNSVGOBVCOBUHM-UHFFFAOYSA-N 1 1 337.445 0.668 20 30 ECEDMO C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598593125 439281991 /nfs/dbraw/zinc/28/19/91/439281991.db2.gz QMJLEZJEPSTRFZ-CVEARBPZSA-N 1 1 336.480 0.916 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000490636981 439282418 /nfs/dbraw/zinc/28/24/18/439282418.db2.gz PHUYSVIOBWRLHV-CYBMUJFWSA-N 1 1 335.429 0.374 20 30 ECEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1 ZINC000490636981 439282423 /nfs/dbraw/zinc/28/24/23/439282423.db2.gz PHUYSVIOBWRLHV-CYBMUJFWSA-N 1 1 335.429 0.374 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000526056726 439236944 /nfs/dbraw/zinc/23/69/44/439236944.db2.gz BZLYICMDJHPERY-LSDHHAIUSA-N 1 1 347.463 0.176 20 30 ECEDMO CCN1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cn2)CC1 ZINC000581723740 439247250 /nfs/dbraw/zinc/24/72/50/439247250.db2.gz UKGXTQNKEYPBCZ-MRXNPFEDSA-N 1 1 344.463 0.861 20 30 ECEDMO C=CCn1cc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)nn1 ZINC000581721740 439247374 /nfs/dbraw/zinc/24/73/74/439247374.db2.gz NGCHNQGTJHYMML-ZDUSSCGKSA-N 1 1 332.360 0.722 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000491071214 439327218 /nfs/dbraw/zinc/32/72/18/439327218.db2.gz INJIPEFRHITFDL-UHFFFAOYSA-N 1 1 343.334 0.031 20 30 ECEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(C(=O)OC)nc1 ZINC000491067902 439327547 /nfs/dbraw/zinc/32/75/47/439327547.db2.gz LDXOIZFYDPHEED-UHFFFAOYSA-N 1 1 325.390 0.102 20 30 ECEDMO COCc1noc(CN2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)n1 ZINC000598607041 439287803 /nfs/dbraw/zinc/28/78/03/439287803.db2.gz LGCGILBETLMIMU-CYBMUJFWSA-N 1 1 337.424 0.634 20 30 ECEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCC[N@H+]2C)n1 ZINC000491286363 439362349 /nfs/dbraw/zinc/36/23/49/439362349.db2.gz ICALGWCNSNBCRP-INIZCTEOSA-N 1 1 333.436 0.769 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000491164604 439343173 /nfs/dbraw/zinc/34/31/73/439343173.db2.gz CRWBALMFRKQOHJ-UHFFFAOYSA-N 1 1 335.354 0.925 20 30 ECEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000491179840 439344049 /nfs/dbraw/zinc/34/40/49/439344049.db2.gz IDBQMCMDGKKJKQ-CHWSQXEVSA-N 1 1 334.338 0.890 20 30 ECEDMO COCCOCC[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000593114394 439346817 /nfs/dbraw/zinc/34/68/17/439346817.db2.gz ABEFDSXRLJWVDL-KRWDZBQOSA-N 1 1 340.468 0.321 20 30 ECEDMO C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000491201705 439349024 /nfs/dbraw/zinc/34/90/24/439349024.db2.gz IUIXUHMYHKDHIB-HZPDHXFCSA-N 1 1 332.448 0.784 20 30 ECEDMO C[NH+]1CCN(C(=O)CCNC(=O)N2Cc3cccc(C#N)c3C2)CC1 ZINC000593305609 439366124 /nfs/dbraw/zinc/36/61/24/439366124.db2.gz LQATXAWCCLEDIZ-UHFFFAOYSA-N 1 1 341.415 0.748 20 30 ECEDMO CNC(=O)NC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000528629299 439355592 /nfs/dbraw/zinc/35/55/92/439355592.db2.gz YORZRODLLAKYRN-OAHLLOKOSA-N 1 1 345.403 0.517 20 30 ECEDMO CNC(=O)NC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000528629299 439355594 /nfs/dbraw/zinc/35/55/94/439355594.db2.gz YORZRODLLAKYRN-OAHLLOKOSA-N 1 1 345.403 0.517 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC000491475106 439389683 /nfs/dbraw/zinc/38/96/83/439389683.db2.gz STDFTQMVPZKFBX-OAHLLOKOSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC000491475106 439389687 /nfs/dbraw/zinc/38/96/87/439389687.db2.gz STDFTQMVPZKFBX-OAHLLOKOSA-N 1 1 341.477 0.550 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)N[C@]1(CO)C[C@H](OCC)C1(C)C ZINC000491474060 439389953 /nfs/dbraw/zinc/38/99/53/439389953.db2.gz JSRHOYRXKIIPSA-YOEHRIQHSA-N 1 1 325.453 0.807 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000491485046 439391884 /nfs/dbraw/zinc/39/18/84/439391884.db2.gz MOVRAMAQPMEGLK-UHFFFAOYSA-N 1 1 329.466 0.119 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000491495817 439394097 /nfs/dbraw/zinc/39/40/97/439394097.db2.gz LZLVYFCCMSZOCC-QGZVFWFLSA-N 1 1 343.427 0.485 20 30 ECEDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccsc1C#N ZINC000593543314 439398052 /nfs/dbraw/zinc/39/80/52/439398052.db2.gz PTKRTZKSZYUXNX-UHFFFAOYSA-N 1 1 330.479 0.734 20 30 ECEDMO C#CCNC(=O)CN1CCCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000491523369 439398762 /nfs/dbraw/zinc/39/87/62/439398762.db2.gz DLLCFEIMMLPPAF-KRWDZBQOSA-N 1 1 348.491 0.535 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000491440990 439385241 /nfs/dbraw/zinc/38/52/41/439385241.db2.gz SNURCQAPHUPLCE-UHFFFAOYSA-N 1 1 337.445 0.345 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)Cn1c2ccccc2n(CC)c1=O ZINC000491651316 439419493 /nfs/dbraw/zinc/41/94/93/439419493.db2.gz GCDKUAAIUQVMPP-UHFFFAOYSA-N 1 1 328.416 0.894 20 30 ECEDMO CC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H](C)CS(C)(=O)=O ZINC000599293368 439422356 /nfs/dbraw/zinc/42/23/56/439422356.db2.gz WCCSDDGNACAPGG-UONOGXRCSA-N 1 1 332.466 0.813 20 30 ECEDMO CC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H](C)CS(C)(=O)=O ZINC000599293368 439422359 /nfs/dbraw/zinc/42/23/59/439422359.db2.gz WCCSDDGNACAPGG-UONOGXRCSA-N 1 1 332.466 0.813 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000491714123 439433164 /nfs/dbraw/zinc/43/31/64/439433164.db2.gz FMNYKUHDBJLNJJ-AEFFLSMTSA-N 1 1 331.460 0.797 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000491714123 439433170 /nfs/dbraw/zinc/43/31/70/439433170.db2.gz FMNYKUHDBJLNJJ-AEFFLSMTSA-N 1 1 331.460 0.797 20 30 ECEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC(N3CN=NC3=O)CC2)c1 ZINC000583211941 439434055 /nfs/dbraw/zinc/43/40/55/439434055.db2.gz HUHBKOZJRKJFNV-UHFFFAOYSA-N 1 1 340.387 0.809 20 30 ECEDMO COC(=O)C1(O)CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000599345955 439441311 /nfs/dbraw/zinc/44/13/11/439441311.db2.gz DRZSONVEZAWPND-CQSZACIVSA-N 1 1 334.372 0.298 20 30 ECEDMO C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000491758245 439444066 /nfs/dbraw/zinc/44/40/66/439444066.db2.gz HWWYGVJSEOQOEE-MRXNPFEDSA-N 1 1 334.464 0.143 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000491786205 439450959 /nfs/dbraw/zinc/45/09/59/439450959.db2.gz UMHGNNQFUJVEAI-QZTJIDSGSA-N 1 1 327.428 0.572 20 30 ECEDMO C#CCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000491800599 439454792 /nfs/dbraw/zinc/45/47/92/439454792.db2.gz AJFFAXOLMPNLTJ-MRXNPFEDSA-N 1 1 333.432 0.324 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000593754758 439461908 /nfs/dbraw/zinc/46/19/08/439461908.db2.gz OGSGFVUOABCANE-NVXWUHKLSA-N 1 1 342.443 0.990 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000593754758 439461913 /nfs/dbraw/zinc/46/19/13/439461913.db2.gz OGSGFVUOABCANE-NVXWUHKLSA-N 1 1 342.443 0.990 20 30 ECEDMO N#CC1(C[C@@H](O)C[NH+]2CCN(c3ncns3)CC2)CCOCC1 ZINC000599434241 439468959 /nfs/dbraw/zinc/46/89/59/439468959.db2.gz WAFZGGKRXWAWDS-CYBMUJFWSA-N 1 1 337.449 0.731 20 30 ECEDMO C[NH+]1CCC(C#N)(NC(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC1 ZINC000531293129 439508785 /nfs/dbraw/zinc/50/87/85/439508785.db2.gz YIBXLXZPRBMSNC-UHFFFAOYSA-N 1 1 332.408 0.611 20 30 ECEDMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)n(CCC#N)n1 ZINC000533453763 439524587 /nfs/dbraw/zinc/52/45/87/439524587.db2.gz UBUYPTJYSFBPRW-QWHCGFSZSA-N 1 1 344.419 0.785 20 30 ECEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)nn1CCC#N ZINC000533325833 439525692 /nfs/dbraw/zinc/52/56/92/439525692.db2.gz AAHWZYLWBOVRJA-CYBMUJFWSA-N 1 1 332.408 0.644 20 30 ECEDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000599688790 439535917 /nfs/dbraw/zinc/53/59/17/439535917.db2.gz BBFZPHJXFUZIEJ-ZDUSSCGKSA-N 1 1 330.454 0.010 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000599691879 439537176 /nfs/dbraw/zinc/53/71/76/439537176.db2.gz HLXVQUIIBSNDJE-QWHCGFSZSA-N 1 1 330.454 0.008 20 30 ECEDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000599691879 439537178 /nfs/dbraw/zinc/53/71/78/439537178.db2.gz HLXVQUIIBSNDJE-QWHCGFSZSA-N 1 1 330.454 0.008 20 30 ECEDMO N#Cc1cccnc1-n1cc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000599773559 439556829 /nfs/dbraw/zinc/55/68/29/439556829.db2.gz KGOXCGVOAJLWHD-CQSZACIVSA-N 1 1 341.375 0.327 20 30 ECEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000609283746 439561628 /nfs/dbraw/zinc/56/16/28/439561628.db2.gz QLHFADFFGLAWPL-CQSZACIVSA-N 1 1 342.403 0.803 20 30 ECEDMO CN(C)CC[NH+]1CCC(NC(=O)NC2CCN(CC#N)CC2)CC1 ZINC000609339516 439568626 /nfs/dbraw/zinc/56/86/26/439568626.db2.gz AMYXOVYHGZRSKG-UHFFFAOYSA-N 1 1 336.484 0.300 20 30 ECEDMO COc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(F)cc1C#N ZINC000599951936 439583832 /nfs/dbraw/zinc/58/38/32/439583832.db2.gz RUOYDYBPXRSXDG-NSHDSACASA-N 1 1 346.362 0.997 20 30 ECEDMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2ccc(C#N)cc2F)n1C ZINC000610085493 439598203 /nfs/dbraw/zinc/59/82/03/439598203.db2.gz UBTFLWCMQLUKOH-UHFFFAOYSA-N 1 1 337.380 0.975 20 30 ECEDMO N#CCc1ccc(CS(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000573202915 439633661 /nfs/dbraw/zinc/63/36/61/439633661.db2.gz OIKQBBWTDWVAFA-UHFFFAOYSA-N 1 1 337.445 0.894 20 30 ECEDMO N#CCc1ccc(CS(=O)(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000573202915 439633663 /nfs/dbraw/zinc/63/36/63/439633663.db2.gz OIKQBBWTDWVAFA-UHFFFAOYSA-N 1 1 337.445 0.894 20 30 ECEDMO N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000585726677 439646348 /nfs/dbraw/zinc/64/63/48/439646348.db2.gz ZSAPNDSXPAFLMQ-ZDUSSCGKSA-N 1 1 344.390 0.914 20 30 ECEDMO CCN(C(=O)C(=O)Nc1cc(C)n(CCC#N)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000595104201 439654229 /nfs/dbraw/zinc/65/42/29/439654229.db2.gz QLZOXWCROZRUKC-CYBMUJFWSA-N 1 1 332.408 0.596 20 30 ECEDMO CCN(C(=O)C(=O)Nc1cc(C)nn1CCC#N)[C@@H]1CC[N@@H+](CC)C1 ZINC000595132139 439659561 /nfs/dbraw/zinc/65/95/61/439659561.db2.gz SSUUSBNIYBXLMS-CQSZACIVSA-N 1 1 346.435 0.986 20 30 ECEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1 ZINC000595173160 439667662 /nfs/dbraw/zinc/66/76/62/439667662.db2.gz WSNGMNNDHPECNG-YJBOKZPZSA-N 1 1 332.448 0.939 20 30 ECEDMO CN(CC(=O)Nc1sccc1C#N)CC(=O)N1CC[NH+](C)CC1 ZINC000611522733 439702529 /nfs/dbraw/zinc/70/25/29/439702529.db2.gz ZCNMWOXRHSKMMW-UHFFFAOYSA-N 1 1 335.433 0.264 20 30 ECEDMO C[C@](O)(C[C@@H](O)C[NH+]1CCN(c2cnccc2C#N)CC1)C1CC1 ZINC000600847294 439710599 /nfs/dbraw/zinc/71/05/99/439710599.db2.gz YZFXTOHYTWJLHS-AEFFLSMTSA-N 1 1 330.432 0.987 20 30 ECEDMO N#Cc1cccc(NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595215541 439674869 /nfs/dbraw/zinc/67/48/69/439674869.db2.gz OBXYQTYCRUAUGQ-INIZCTEOSA-N 1 1 342.399 0.554 20 30 ECEDMO COC[C@@]1(C(=O)OC)CC[N@@H+](C[C@H]2CNc3c(C#N)cnn3C2)C1 ZINC000574205745 439690095 /nfs/dbraw/zinc/69/00/95/439690095.db2.gz KDBAGMMLWFJNNS-MLGOLLRUSA-N 1 1 333.392 0.308 20 30 ECEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000611371634 439694451 /nfs/dbraw/zinc/69/44/51/439694451.db2.gz PMODDFFQORILES-DLBZAZTESA-N 1 1 336.480 0.773 20 30 ECEDMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000613034723 439749071 /nfs/dbraw/zinc/74/90/71/439749071.db2.gz JUGWNQXXBAWSMU-SJLPKXTDSA-N 1 1 328.416 0.710 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)NCC2(C#N)CCCCC2)CC1 ZINC000595450740 439728290 /nfs/dbraw/zinc/72/82/90/439728290.db2.gz WLDFQAMOMYRYQP-UHFFFAOYSA-N 1 1 335.452 0.970 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)C2)C1 ZINC001041735731 782083670 /nfs/dbraw/zinc/08/36/70/782083670.db2.gz IGHKXQFNJTYTDN-LKGZKJKYSA-N 1 1 346.431 0.475 20 30 ECEDMO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000615791728 439806407 /nfs/dbraw/zinc/80/64/07/439806407.db2.gz TXSIDAPTWGEFSK-HOTGVXAUSA-N 1 1 333.480 0.649 20 30 ECEDMO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641668525 439885261 /nfs/dbraw/zinc/88/52/61/439885261.db2.gz BHTLCKUKRNOICZ-DOTOQJQBSA-N 1 1 325.453 0.226 20 30 ECEDMO C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000636878899 440075866 /nfs/dbraw/zinc/07/58/66/440075866.db2.gz YRJUYBDBLDFODF-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000636878899 440075871 /nfs/dbraw/zinc/07/58/71/440075871.db2.gz YRJUYBDBLDFODF-KBPBESRZSA-N 1 1 325.453 0.930 20 30 ECEDMO C[C@]1(CO)C[C@H](O)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000639846953 440802374 /nfs/dbraw/zinc/80/23/74/440802374.db2.gz DOAKKBQYYHNHLS-SCLBCKFNSA-N 1 1 328.368 0.104 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703343 440766405 /nfs/dbraw/zinc/76/64/05/440766405.db2.gz RJGXMRVSEWBNTG-HIFRSBDPSA-N 1 1 346.431 0.975 20 30 ECEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703343 440766409 /nfs/dbraw/zinc/76/64/09/440766409.db2.gz RJGXMRVSEWBNTG-HIFRSBDPSA-N 1 1 346.431 0.975 20 30 ECEDMO CO[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@](C)(CO)C1 ZINC000640006985 440852212 /nfs/dbraw/zinc/85/22/12/440852212.db2.gz WZNVQWBUBOFEPB-KUHUBIRLSA-N 1 1 342.395 0.758 20 30 ECEDMO C=CCNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000641341034 441098690 /nfs/dbraw/zinc/09/86/90/441098690.db2.gz JRVSKOSHGJOCKM-AWEZNQCLSA-N 1 1 339.461 0.654 20 30 ECEDMO Cc1ncc(S(=O)(=O)N(CCN(C)C)CC[NH+](C)C)cc1C#N ZINC000564516156 322378407 /nfs/dbraw/zinc/37/84/07/322378407.db2.gz PVXKXPWVOKNLHL-UHFFFAOYSA-N 1 1 339.465 0.376 20 30 ECEDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000564796451 322394000 /nfs/dbraw/zinc/39/40/00/322394000.db2.gz XUVNSZIKXVYUTM-AWEZNQCLSA-N 1 1 341.408 0.837 20 30 ECEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000564796451 322394002 /nfs/dbraw/zinc/39/40/02/322394002.db2.gz XUVNSZIKXVYUTM-AWEZNQCLSA-N 1 1 341.408 0.837 20 30 ECEDMO CCOC(=O)C[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000565363530 322452047 /nfs/dbraw/zinc/45/20/47/322452047.db2.gz IHAAOPFOWQPOPF-ZDUSSCGKSA-N 1 1 340.401 0.236 20 30 ECEDMO CC(C)N1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1=O ZINC000579110935 322886297 /nfs/dbraw/zinc/88/62/97/322886297.db2.gz LQVSMHBTIRQVRR-CQSZACIVSA-N 1 1 335.429 0.931 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078005890 782118272 /nfs/dbraw/zinc/11/82/72/782118272.db2.gz LZSDFWWKPCVZKT-IPMKNSEASA-N 1 1 341.455 0.541 20 30 ECEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078005394 782118020 /nfs/dbraw/zinc/11/80/20/782118020.db2.gz BZSMDDKGZMYODE-BMGDILEWSA-N 1 1 342.443 0.561 20 30 ECEDMO C[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1CCO ZINC000187740219 534479590 /nfs/dbraw/zinc/47/95/90/534479590.db2.gz ZQICBJWVZRAKDY-RHSMWYFYSA-N 1 1 328.416 0.662 20 30 ECEDMO C[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1CCO ZINC000187740219 534479595 /nfs/dbraw/zinc/47/95/95/534479595.db2.gz ZQICBJWVZRAKDY-RHSMWYFYSA-N 1 1 328.416 0.662 20 30 ECEDMO CC(C)[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)N1CCCC1=O ZINC000328757081 546005269 /nfs/dbraw/zinc/00/52/69/546005269.db2.gz UQBMOALQELROLP-MRXNPFEDSA-N 1 1 338.452 0.754 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)[N@H+](C)C1 ZINC000329045407 546011623 /nfs/dbraw/zinc/01/16/23/546011623.db2.gz USKNTIAIIDFLAR-XQQFMLRXSA-N 1 1 335.408 0.509 20 30 ECEDMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)[N@@H+](C)C1 ZINC000329045407 546011627 /nfs/dbraw/zinc/01/16/27/546011627.db2.gz USKNTIAIIDFLAR-XQQFMLRXSA-N 1 1 335.408 0.509 20 30 ECEDMO C[C@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)N1CC[NH+](C)CC1 ZINC000329253643 546017659 /nfs/dbraw/zinc/01/76/59/546017659.db2.gz WHRGZKJTEADXLB-MNOVXSKESA-N 1 1 336.358 0.742 20 30 ECEDMO C[C@H](C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)N1CC[NH+](C)CC1 ZINC000329406792 546022370 /nfs/dbraw/zinc/02/23/70/546022370.db2.gz XILPWEWHAIMGJG-OCCSQVGLSA-N 1 1 334.424 0.118 20 30 ECEDMO C=CCCn1cc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)nn1 ZINC000623616914 546813515 /nfs/dbraw/zinc/81/35/15/546813515.db2.gz LJWVFYZEWAQSCX-QGZVFWFLSA-N 1 1 335.452 0.560 20 30 ECEDMO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(C)(CO)CO ZINC000625221719 547044486 /nfs/dbraw/zinc/04/44/86/547044486.db2.gz ADIRAHHYUVDBQE-UHFFFAOYSA-N 1 1 330.384 0.209 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626171114 547309444 /nfs/dbraw/zinc/30/94/44/547309444.db2.gz VBYURSKYCVXKTQ-CQSZACIVSA-N 1 1 331.482 0.672 20 30 ECEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626171114 547309449 /nfs/dbraw/zinc/30/94/49/547309449.db2.gz VBYURSKYCVXKTQ-CQSZACIVSA-N 1 1 331.482 0.672 20 30 ECEDMO C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCN(C)C(=O)C1 ZINC000669032677 547816551 /nfs/dbraw/zinc/81/65/51/547816551.db2.gz RYFAXWHBIGCMJY-KGLIPLIRSA-N 1 1 346.435 0.278 20 30 ECEDMO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+](CCOCC)CC1 ZINC000669039409 547817981 /nfs/dbraw/zinc/81/79/81/547817981.db2.gz NANNJMKBVWDXMT-UHFFFAOYSA-N 1 1 346.439 0.418 20 30 ECEDMO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn(C4CCOCC4)nn3)C2)C1 ZINC001041777848 782182845 /nfs/dbraw/zinc/18/28/45/782182845.db2.gz QTRIXEZDZVUASB-GOSISDBHSA-N 1 1 343.431 0.801 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)CC1 ZINC000748814224 579329055 /nfs/dbraw/zinc/32/90/55/579329055.db2.gz WTEKKYDXVUAHDF-KRWDZBQOSA-N 1 1 341.459 0.742 20 30 ECEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)CC1 ZINC000748814224 579329056 /nfs/dbraw/zinc/32/90/56/579329056.db2.gz WTEKKYDXVUAHDF-KRWDZBQOSA-N 1 1 341.459 0.742 20 30 ECEDMO CN(C)c1[nH+]cc(CNC(=O)NCCNc2ccc(C#N)cn2)n1C ZINC000751778117 579375303 /nfs/dbraw/zinc/37/53/03/579375303.db2.gz CUTHUTGPSWHIRC-UHFFFAOYSA-N 1 1 342.407 0.664 20 30 ECEDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cn2cccc(C#N)c2=O)CC1 ZINC000758224530 579469091 /nfs/dbraw/zinc/46/90/91/579469091.db2.gz RVXASPUBYQKIKT-KRWDZBQOSA-N 1 1 329.448 0.779 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@H](C)C(C)(C)C2)c1=O ZINC000759000245 579484833 /nfs/dbraw/zinc/48/48/33/579484833.db2.gz OZJLPNNDCQBGQG-AWEZNQCLSA-N 1 1 348.447 0.869 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@H](C)C(C)(C)C2)c1=O ZINC000759000245 579484834 /nfs/dbraw/zinc/48/48/34/579484834.db2.gz OZJLPNNDCQBGQG-AWEZNQCLSA-N 1 1 348.447 0.869 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)C(C2CC2)C2CC2)c1=O ZINC000727166180 578156320 /nfs/dbraw/zinc/15/63/20/578156320.db2.gz YOYLOAVKYOMKKJ-UHFFFAOYSA-N 1 1 346.431 0.622 20 30 ECEDMO N#Cc1cccnc1NCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729503433 578296372 /nfs/dbraw/zinc/29/63/72/578296372.db2.gz XMBURNRHYZMCQE-HUUCEWRRSA-N 1 1 344.419 0.528 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000730277078 578304344 /nfs/dbraw/zinc/30/43/44/578304344.db2.gz JVJVJLRRUCOHMC-KRWDZBQOSA-N 1 1 341.411 0.774 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000730277078 578304345 /nfs/dbraw/zinc/30/43/45/578304345.db2.gz JVJVJLRRUCOHMC-KRWDZBQOSA-N 1 1 341.411 0.774 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)CC1 ZINC000736554686 578435927 /nfs/dbraw/zinc/43/59/27/578435927.db2.gz VWMAOVJWBOLZLN-UHFFFAOYSA-N 1 1 335.429 0.424 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000798356669 578644629 /nfs/dbraw/zinc/64/46/29/578644629.db2.gz ZPJGGKCYNMBUAQ-ZNMIVQPWSA-N 1 1 325.453 0.948 20 30 ECEDMO C#CCC[C@H](O)CNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000798356669 578644630 /nfs/dbraw/zinc/64/46/30/578644630.db2.gz ZPJGGKCYNMBUAQ-ZNMIVQPWSA-N 1 1 325.453 0.948 20 30 ECEDMO CCOC(=O)C[NH+]1CCC(COC(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000798827222 578652694 /nfs/dbraw/zinc/65/26/94/578652694.db2.gz VUJNODDOHQGWEB-LBPRGKRZSA-N 1 1 349.391 0.529 20 30 ECEDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000784616749 578754903 /nfs/dbraw/zinc/75/49/03/578754903.db2.gz ZKSCLJQENUGHDX-BBRMVZONSA-N 1 1 345.399 0.687 20 30 ECEDMO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000785804343 578775856 /nfs/dbraw/zinc/77/58/56/578775856.db2.gz NCBHMGBQKYMLHU-QWHCGFSZSA-N 1 1 336.417 0.481 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000787588893 578810044 /nfs/dbraw/zinc/81/00/44/578810044.db2.gz HHZLHQJUMSCAFF-CVEARBPZSA-N 1 1 332.448 0.688 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000787588893 578810046 /nfs/dbraw/zinc/81/00/46/578810046.db2.gz HHZLHQJUMSCAFF-CVEARBPZSA-N 1 1 332.448 0.688 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCCO1 ZINC000787913532 578820657 /nfs/dbraw/zinc/82/06/57/578820657.db2.gz VIRJMEKSJUHLKI-YESZJQIVSA-N 1 1 349.475 0.912 20 30 ECEDMO COCCN(C)c1ccc(C=[NH+]NCC(C)(C)S(C)(=O)=O)cn1 ZINC000790175725 578869229 /nfs/dbraw/zinc/86/92/29/578869229.db2.gz IDPKLBUDLISXBV-UHFFFAOYSA-N 1 1 342.465 0.911 20 30 ECEDMO C[C@@H]1CN(Cn2cc3c(c(C#N)c2=O)CCC3)CC[N@H+]1CC(C)(C)O ZINC000766633940 579090321 /nfs/dbraw/zinc/09/03/21/579090321.db2.gz IXQKIVJEUIEFNN-CQSZACIVSA-N 1 1 344.459 0.943 20 30 ECEDMO C[C@H]1CC(=NNC(=S)NCC(N)=O)C[N@@H+](Cc2ccccc2)C1 ZINC000767379861 579107167 /nfs/dbraw/zinc/10/71/67/579107167.db2.gz ULUIYIWVILMMLR-LBPRGKRZSA-N 1 1 333.461 0.834 20 30 ECEDMO C[C@H]1CC(=NNC(=S)NCC(N)=O)C[N@H+](Cc2ccccc2)C1 ZINC000767379861 579107169 /nfs/dbraw/zinc/10/71/69/579107169.db2.gz ULUIYIWVILMMLR-LBPRGKRZSA-N 1 1 333.461 0.834 20 30 ECEDMO C=CCNC(=O)CN1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768440765 579125534 /nfs/dbraw/zinc/12/55/34/579125534.db2.gz DFDABKDCRHGWII-UHFFFAOYSA-N 1 1 349.431 0.829 20 30 ECEDMO C#C[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CCCO1 ZINC000772886602 579216390 /nfs/dbraw/zinc/21/63/90/579216390.db2.gz RALRLIPNGHRTSL-HZPDHXFCSA-N 1 1 330.432 0.929 20 30 ECEDMO C#C[C@@H](NC(=O)NCCCCN1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000773219780 579222945 /nfs/dbraw/zinc/22/29/45/579222945.db2.gz MNUYRNDWDIEHAH-IAGOWNOFSA-N 1 1 336.480 0.884 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000773439800 579227197 /nfs/dbraw/zinc/22/71/97/579227197.db2.gz DUTJVIVKCCBHNP-CZUORRHYSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000773439800 579227198 /nfs/dbraw/zinc/22/71/98/579227198.db2.gz DUTJVIVKCCBHNP-CZUORRHYSA-N 1 1 345.399 0.472 20 30 ECEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000776593847 579285671 /nfs/dbraw/zinc/28/56/71/579285671.db2.gz NMOVRAOCLKQNCY-IRXDYDNUSA-N 1 1 349.475 0.818 20 30 ECEDMO COC(=O)C1=C(C)O[C@@H](C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)C1 ZINC000778221270 579307223 /nfs/dbraw/zinc/30/72/23/579307223.db2.gz BLLRZDWPTHDBJI-LLVKDONJSA-N 1 1 333.392 0.964 20 30 ECEDMO C#CCOCCNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779656819 579319445 /nfs/dbraw/zinc/31/94/45/579319445.db2.gz ITKFHQFUPZMVEX-IBGZPJMESA-N 1 1 345.443 0.915 20 30 ECEDMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000761080259 579521296 /nfs/dbraw/zinc/52/12/96/579521296.db2.gz LVJZBNUCMKCSDE-UHFFFAOYSA-N 1 1 345.334 0.988 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Cc1ccc(OC)c(O)c1 ZINC000762557139 579544109 /nfs/dbraw/zinc/54/41/09/579544109.db2.gz ZFWKQEIIFZQTHI-CVEARBPZSA-N 1 1 346.427 0.766 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Cc1ccc(OC)c(O)c1 ZINC000762557139 579544110 /nfs/dbraw/zinc/54/41/10/579544110.db2.gz ZFWKQEIIFZQTHI-CVEARBPZSA-N 1 1 346.427 0.766 20 30 ECEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000762700202 579546076 /nfs/dbraw/zinc/54/60/76/579546076.db2.gz LLDKMXWWJYBQST-YVEFUNNKSA-N 1 1 346.387 0.099 20 30 ECEDMO N#Cc1ccc(NCCNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)nc1 ZINC000837567279 588955435 /nfs/dbraw/zinc/95/54/35/588955435.db2.gz MCLWKWOWYOBCPG-OAHLLOKOSA-N 1 1 346.435 0.511 20 30 ECEDMO C#CC[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000837935889 588965945 /nfs/dbraw/zinc/96/59/45/588965945.db2.gz KDICZMXPPZUYQY-QGZVFWFLSA-N 1 1 343.427 0.485 20 30 ECEDMO CN(CC(C)(C)C[NH+](C)C)C(=O)CCNC(O)=C1N=CC=CC1=O ZINC000890883294 586068633 /nfs/dbraw/zinc/06/86/33/586068633.db2.gz QHKBWCKKTWUVKF-FOCLMDBBSA-N 1 1 336.436 0.949 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC(N2CCCOC2=O)CC1 ZINC000895056122 586158320 /nfs/dbraw/zinc/15/83/20/586158320.db2.gz CKMGBTYTKCUNKC-UHFFFAOYSA-N 1 1 336.436 0.958 20 30 ECEDMO CC(C)(C)OC(=O)N1CCOC[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)C1 ZINC000895194485 586168839 /nfs/dbraw/zinc/16/88/39/586168839.db2.gz DVFSWRRVMOKMQL-NWDGAFQWSA-N 1 1 329.397 0.592 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000895919000 586212771 /nfs/dbraw/zinc/21/27/71/586212771.db2.gz QJFIERMCQWNOJO-UHFFFAOYSA-N 1 1 333.457 0.761 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000895919687 586213411 /nfs/dbraw/zinc/21/34/11/586213411.db2.gz BDXCLGROWQWYKZ-UHFFFAOYSA-N 1 1 344.440 0.820 20 30 ECEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3sccc3C#N)CC2)CC1 ZINC000896237545 586230587 /nfs/dbraw/zinc/23/05/87/586230587.db2.gz PBLWVJQCLFKEBA-UHFFFAOYSA-N 1 1 347.444 0.745 20 30 ECEDMO C#CCNC(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)nc1 ZINC000897222791 586289042 /nfs/dbraw/zinc/28/90/42/586289042.db2.gz XTSZWYYKGDDWCY-HZPDHXFCSA-N 1 1 328.416 0.480 20 30 ECEDMO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@]1(OC)CCS(=O)(=O)C1 ZINC000892862789 586297010 /nfs/dbraw/zinc/29/70/10/586297010.db2.gz GVNKNZGKSWXHRO-HIFRSBDPSA-N 1 1 331.434 0.467 20 30 ECEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCO[C@@](C)(C#N)C2)CC1 ZINC000893237657 586318771 /nfs/dbraw/zinc/31/87/71/586318771.db2.gz IOPWPIABXWEUSV-WBVHZDCISA-N 1 1 337.468 0.584 20 30 ECEDMO C#CCN(C(=O)NCC[N@H+]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000897441324 586323082 /nfs/dbraw/zinc/32/30/82/586323082.db2.gz CMXOYQPOPAPRJC-UONOGXRCSA-N 1 1 327.450 0.160 20 30 ECEDMO C#CCN(C(=O)NCC[N@@H+]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000897441324 586323083 /nfs/dbraw/zinc/32/30/83/586323083.db2.gz CMXOYQPOPAPRJC-UONOGXRCSA-N 1 1 327.450 0.160 20 30 ECEDMO C#CCN(C(=O)NC[C@H]1CCCC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000897551506 586343310 /nfs/dbraw/zinc/34/33/10/586343310.db2.gz ZKWVJFJWSPXNSX-CABCVRRESA-N 1 1 341.477 0.550 20 30 ECEDMO C#CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCC1 ZINC000893903798 586365774 /nfs/dbraw/zinc/36/57/74/586365774.db2.gz VXOGMEIXRRRZKQ-INIZCTEOSA-N 1 1 347.459 0.762 20 30 ECEDMO C#CC1(O)CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000899116116 586471113 /nfs/dbraw/zinc/47/11/13/586471113.db2.gz DQYMUCUDTJTZFI-JKSUJKDBSA-N 1 1 347.459 0.306 20 30 ECEDMO C[NH+]1CCN(CCCCNC(=O)c2cccc(C#CCO)c2)CC1 ZINC000900187949 586530064 /nfs/dbraw/zinc/53/00/64/586530064.db2.gz MXUZWQACDTUZBH-UHFFFAOYSA-N 1 1 329.444 0.788 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000843247951 589056056 /nfs/dbraw/zinc/05/60/56/589056056.db2.gz DKFWHLFIXCEMRH-SJORKVTESA-N 1 1 347.459 0.429 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000843253625 589056774 /nfs/dbraw/zinc/05/67/74/589056774.db2.gz KTVGUKXCLRTSLI-IXDOHACOSA-N 1 1 349.475 0.816 20 30 ECEDMO C#CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000843253625 589056775 /nfs/dbraw/zinc/05/67/75/589056775.db2.gz KTVGUKXCLRTSLI-IXDOHACOSA-N 1 1 349.475 0.816 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000900673575 586654604 /nfs/dbraw/zinc/65/46/04/586654604.db2.gz UQMIWRAADVGGCG-ZBFHGGJFSA-N 1 1 348.447 0.460 20 30 ECEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000900673575 586654606 /nfs/dbraw/zinc/65/46/06/586654606.db2.gz UQMIWRAADVGGCG-ZBFHGGJFSA-N 1 1 348.447 0.460 20 30 ECEDMO N#Cc1sccc1S(=O)(=O)NCCCCC[NH+]1CCNCC1 ZINC000903520647 586782339 /nfs/dbraw/zinc/78/23/39/586782339.db2.gz XISRFFBCDYFGGU-UHFFFAOYSA-N 1 1 342.490 0.974 20 30 ECEDMO C#C[C@H](NC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1)[C@H]1CCCO1 ZINC000838557422 586814233 /nfs/dbraw/zinc/81/42/33/586814233.db2.gz BEWANJZVJYGPDO-JKSUJKDBSA-N 1 1 336.480 0.883 20 30 ECEDMO C=CC[C@@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)c1ccncc1 ZINC000805814577 586940784 /nfs/dbraw/zinc/94/07/84/586940784.db2.gz UPJGICNHJVNDRS-OAHLLOKOSA-N 1 1 348.472 0.980 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000804024609 587074383 /nfs/dbraw/zinc/07/43/83/587074383.db2.gz WZUROQFMTNQZNP-SNVBAGLBSA-N 1 1 348.241 0.096 20 30 ECEDMO C=CCN1CCN(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1=O ZINC000840048678 587086691 /nfs/dbraw/zinc/08/66/91/587086691.db2.gz DEMDNJICAAKVKE-LLVKDONJSA-N 1 1 334.342 0.868 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000804644796 587089534 /nfs/dbraw/zinc/08/95/34/587089534.db2.gz NPHGAUPJIGUYBT-HMQMGEFJSA-N 1 1 346.475 0.284 20 30 ECEDMO C#CCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000806224526 587091480 /nfs/dbraw/zinc/09/14/80/587091480.db2.gz KPLUIVCSDZKVKM-JKSUJKDBSA-N 1 1 337.464 0.769 20 30 ECEDMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCNc2ncccc2C#N)[C@H](C)C1 ZINC000806535039 587100168 /nfs/dbraw/zinc/10/01/68/587100168.db2.gz KWLCAPJYNZRVMJ-KGLIPLIRSA-N 1 1 346.435 0.462 20 30 ECEDMO NS(=O)(=O)c1cc(C=NNCCC[NH+]2CCOCC2)ccc1F ZINC000807986924 587141083 /nfs/dbraw/zinc/14/10/83/587141083.db2.gz ZZZVYASFLLMCHX-UHFFFAOYSA-N 1 1 344.412 0.119 20 30 ECEDMO C#CCCS(=O)(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000808281480 587151778 /nfs/dbraw/zinc/15/17/78/587151778.db2.gz HODLUQTVSUIGER-UHFFFAOYSA-N 1 1 335.473 0.877 20 30 ECEDMO COCC[N@@H+]1[C@H](C)CN(C(=O)CNc2ccc(C#N)cn2)C[C@@H]1C ZINC000844021632 589089012 /nfs/dbraw/zinc/08/90/12/589089012.db2.gz IGNQEFAUTPTILJ-OKILXGFUSA-N 1 1 331.420 0.933 20 30 ECEDMO COc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1C#N ZINC000809503948 587178876 /nfs/dbraw/zinc/17/88/76/587178876.db2.gz MTZQVCROWUBFSM-AWEZNQCLSA-N 1 1 330.388 0.393 20 30 ECEDMO C=C(Br)CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000809707238 587181869 /nfs/dbraw/zinc/18/18/69/587181869.db2.gz DYIKNRSLUYBACP-JTQLQIEISA-N 1 1 330.226 0.778 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC(C)(C)C[C@@H]2C)c1=O ZINC000840185234 587182923 /nfs/dbraw/zinc/18/29/23/587182923.db2.gz XDSUPZWIZJMPIM-ZDUSSCGKSA-N 1 1 334.420 0.622 20 30 ECEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC(C)(C)C[C@@H]2C)c1=O ZINC000840185234 587182924 /nfs/dbraw/zinc/18/29/24/587182924.db2.gz XDSUPZWIZJMPIM-ZDUSSCGKSA-N 1 1 334.420 0.622 20 30 ECEDMO S=C(NCCC[NH+]1CCOCC1)NN=C1COc2ccccc21 ZINC000814728483 587278972 /nfs/dbraw/zinc/27/89/72/587278972.db2.gz YKOVMIFBZWKAFW-UHFFFAOYSA-N 1 1 334.445 0.970 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(CC(C)C)nn1C ZINC000815861752 587300458 /nfs/dbraw/zinc/30/04/58/587300458.db2.gz YJSSFGQVQZTYHQ-UHFFFAOYSA-N 1 1 333.436 0.628 20 30 ECEDMO C[NH+]1CCN([C@H](C(=O)N[C@H]2CCN(O)C2=O)c2ccccc2)CC1 ZINC000816695409 587320179 /nfs/dbraw/zinc/32/01/79/587320179.db2.gz BOJGXEFWYVKLOW-GJZGRUSLSA-N 1 1 332.404 0.081 20 30 ECEDMO C#CCOc1ccc(C(=O)NCC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000816730823 587321403 /nfs/dbraw/zinc/32/14/03/587321403.db2.gz QUFSTWXAAFUMNT-UHFFFAOYSA-N 1 1 329.400 0.593 20 30 ECEDMO C[NH+]1CCN([C@@H](C(=O)N[C@@H]2CCCN(O)C2=O)c2ccccc2)CC1 ZINC000816758258 587324475 /nfs/dbraw/zinc/32/44/75/587324475.db2.gz LKVYYWWXJIBHLB-HZPDHXFCSA-N 1 1 346.431 0.472 20 30 ECEDMO C#Cc1cccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000817846144 587389143 /nfs/dbraw/zinc/38/91/43/587389143.db2.gz NTPYDKBIAPFZBD-QGZVFWFLSA-N 1 1 325.412 0.979 20 30 ECEDMO C=CCS(=O)(=O)CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000819223178 587472707 /nfs/dbraw/zinc/47/27/07/587472707.db2.gz XQVDFBLZWMRAPJ-UHFFFAOYSA-N 1 1 342.442 0.522 20 30 ECEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)COCCO ZINC000819745664 587488703 /nfs/dbraw/zinc/48/87/03/587488703.db2.gz OOKAMUIIHYSNRW-OAHLLOKOSA-N 1 1 333.392 0.225 20 30 ECEDMO CON=C(C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)c1csc(N)n1 ZINC000820172598 587514488 /nfs/dbraw/zinc/51/44/88/587514488.db2.gz ZDRIJMJQFJPSAR-LLVKDONJSA-N 1 1 325.438 0.874 20 30 ECEDMO C#CCN(C(=O)N[C@H]1CC[N@@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000823048865 587699314 /nfs/dbraw/zinc/69/93/14/587699314.db2.gz HBPVFDSLFITKOT-UONOGXRCSA-N 1 1 327.450 0.303 20 30 ECEDMO C#CCN(C(=O)N[C@H]1CC[N@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000823048865 587699316 /nfs/dbraw/zinc/69/93/16/587699316.db2.gz HBPVFDSLFITKOT-UONOGXRCSA-N 1 1 327.450 0.303 20 30 ECEDMO CON=C(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1csc(N)n1 ZINC000823532904 587727080 /nfs/dbraw/zinc/72/70/80/587727080.db2.gz KJVCPXVMAGWNHO-SNVBAGLBSA-N 1 1 325.438 0.924 20 30 ECEDMO N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000828420055 588177450 /nfs/dbraw/zinc/17/74/50/588177450.db2.gz AXRAOAZAGCUQNV-ZDUSSCGKSA-N 1 1 338.433 0.464 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CSCN2C(=O)OCC)C1 ZINC000829581605 588330932 /nfs/dbraw/zinc/33/09/32/588330932.db2.gz BGWGLWMTRXQTQP-QWHCGFSZSA-N 1 1 325.434 0.732 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CSCN2C(=O)OCC)C1 ZINC000829581605 588330934 /nfs/dbraw/zinc/33/09/34/588330934.db2.gz BGWGLWMTRXQTQP-QWHCGFSZSA-N 1 1 325.434 0.732 20 30 ECEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 ZINC000830959230 588395085 /nfs/dbraw/zinc/39/50/85/588395085.db2.gz DXJKBGDEMAGKJL-INMHGKMJSA-N 1 1 345.399 0.923 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000831833227 588453300 /nfs/dbraw/zinc/45/33/00/588453300.db2.gz WRTQCOXQPRSAMC-UONOGXRCSA-N 1 1 330.388 0.945 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000831833227 588453302 /nfs/dbraw/zinc/45/33/02/588453302.db2.gz WRTQCOXQPRSAMC-UONOGXRCSA-N 1 1 330.388 0.945 20 30 ECEDMO C=C[C@@H](C)ONC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000844284863 589106053 /nfs/dbraw/zinc/10/60/53/589106053.db2.gz MCEFGRDBRMNICY-CQSZACIVSA-N 1 1 334.424 0.794 20 30 ECEDMO C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372193 589109462 /nfs/dbraw/zinc/10/94/62/589109462.db2.gz WPLBPYYZUGFQPZ-HNNXBMFYSA-N 1 1 347.415 0.981 20 30 ECEDMO C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372193 589109463 /nfs/dbraw/zinc/10/94/63/589109463.db2.gz WPLBPYYZUGFQPZ-HNNXBMFYSA-N 1 1 347.415 0.981 20 30 ECEDMO N#CCCNC(=O)CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000844399809 589110451 /nfs/dbraw/zinc/11/04/51/589110451.db2.gz GYIJMEXJELBHNI-ROUUACIJSA-N 1 1 342.443 0.992 20 30 ECEDMO C#C[C@@H]1CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000847025189 589233142 /nfs/dbraw/zinc/23/31/42/589233142.db2.gz NDSSQCUKFVGFQX-OAHLLOKOSA-N 1 1 343.493 0.508 20 30 ECEDMO C[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847405778 589245879 /nfs/dbraw/zinc/24/58/79/589245879.db2.gz BWVQGEHTOXUJKC-PNBKFKSVSA-N 1 1 349.479 0.866 20 30 ECEDMO C[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847405778 589245880 /nfs/dbraw/zinc/24/58/80/589245880.db2.gz BWVQGEHTOXUJKC-PNBKFKSVSA-N 1 1 349.479 0.866 20 30 ECEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cncc(OC(C)C)n1 ZINC000847527524 589254536 /nfs/dbraw/zinc/25/45/36/589254536.db2.gz MYBQCBHJMZKCFY-UHFFFAOYSA-N 1 1 333.392 0.274 20 30 ECEDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCSC[C@H]2C#N)cn1 ZINC000849572300 589341216 /nfs/dbraw/zinc/34/12/16/589341216.db2.gz AAXQXMPEWJFMTG-ILXRZTDVSA-N 1 1 333.461 0.923 20 30 ECEDMO C=C[C@H](CO)[NH2+]CC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1 ZINC000852714657 589507186 /nfs/dbraw/zinc/50/71/86/589507186.db2.gz XKSZRZZQOMJIBW-QMTHXVAHSA-N 1 1 335.360 0.587 20 30 ECEDMO C#CCC[N@@H+](CCOC)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000852752823 589510223 /nfs/dbraw/zinc/51/02/23/589510223.db2.gz NCCMMLSUJQQJJL-UHFFFAOYSA-N 1 1 326.418 0.685 20 30 ECEDMO C#C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)C1CCOCC1 ZINC000853282761 589539698 /nfs/dbraw/zinc/53/96/98/589539698.db2.gz PQHWFBNGIGEHET-MRXNPFEDSA-N 1 1 336.480 0.740 20 30 ECEDMO N#Cc1cnn(-c2ccccc2NC(=O)CC[NH+]2CCOCC2)c1N ZINC000854404259 589584545 /nfs/dbraw/zinc/58/45/45/589584545.db2.gz GYUXPKFHPJCWQI-UHFFFAOYSA-N 1 1 340.387 0.987 20 30 ECEDMO C#CC[C@H](CO)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000854543547 589591896 /nfs/dbraw/zinc/59/18/96/589591896.db2.gz XVEWBVLICHNSLZ-CQSZACIVSA-N 1 1 339.436 0.476 20 30 ECEDMO C#CCN(CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(=O)OC(C)(C)C ZINC000855050446 589618510 /nfs/dbraw/zinc/61/85/10/589618510.db2.gz URYINDPBDANOOZ-UONOGXRCSA-N 1 1 337.420 0.134 20 30 ECEDMO N#CCc1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000866675583 589757213 /nfs/dbraw/zinc/75/72/13/589757213.db2.gz OMYMACRLKCNXQY-HUUCEWRRSA-N 1 1 335.429 0.894 20 30 ECEDMO C#CCC[NH+]1CCN(C(=O)COCc2ocnc2C(=O)OC)CC1 ZINC000859003102 589791951 /nfs/dbraw/zinc/79/19/51/589791951.db2.gz FKDKSUQTWDSGEU-UHFFFAOYSA-N 1 1 335.360 0.145 20 30 ECEDMO C[C@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C(=O)N1CCCC1 ZINC000867975417 589866234 /nfs/dbraw/zinc/86/62/34/589866234.db2.gz MDJYEGGIYIOJTB-LRDDRELGSA-N 1 1 326.400 0.872 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000868652888 589919563 /nfs/dbraw/zinc/91/95/63/589919563.db2.gz MNYQXTUBEGQOCW-HNNXBMFYSA-N 1 1 336.436 0.021 20 30 ECEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNC2=NCC(=O)N2)c1C ZINC000863175100 589991387 /nfs/dbraw/zinc/99/13/87/589991387.db2.gz RKFNTWLLGYWABR-HNNXBMFYSA-N 1 1 330.436 0.999 20 30 ECEDMO CC(=Nn1ccc(=O)[nH]c1=O)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000863183951 589992219 /nfs/dbraw/zinc/99/22/19/589992219.db2.gz FIDGXNFIBYESKL-UHFFFAOYSA-N 1 1 344.371 0.759 20 30 ECEDMO C(=NNCCC[NH+]1CCOCC1)c1nncn1Cc1ccccc1 ZINC000872371801 590115478 /nfs/dbraw/zinc/11/54/78/590115478.db2.gz SBESRQSJKYDQMJ-UHFFFAOYSA-N 1 1 328.420 0.972 20 30 ECEDMO C=C(Cl)C[C@H]1NC(=O)N(C[C@@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000865299846 590138248 /nfs/dbraw/zinc/13/82/48/590138248.db2.gz RJVOJFJOYIRMEM-WCQYABFASA-N 1 1 328.844 0.933 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1c2c(ccc1F)OCO2 ZINC000873896474 590209432 /nfs/dbraw/zinc/20/94/32/590209432.db2.gz XFURMSYHFKICGB-UHFFFAOYSA-N 1 1 335.335 0.564 20 30 ECEDMO CC[N@H+]1CCC[C@@H](CNC(=O)C(=NOC)c2csc(N)n2)C1 ZINC000874248591 590228101 /nfs/dbraw/zinc/22/81/01/590228101.db2.gz BCALGVIYUWBKQR-JTQLQIEISA-N 1 1 325.438 0.924 20 30 ECEDMO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000875059657 590266222 /nfs/dbraw/zinc/26/62/22/590266222.db2.gz YIOANQKFDVFRAH-KBPBESRZSA-N 1 1 337.445 0.622 20 30 ECEDMO C[N@H+]1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCC1(C)C ZINC000875267610 590288864 /nfs/dbraw/zinc/28/88/64/590288864.db2.gz OJRKLHUZBSMTEI-CCEZHUSRSA-N 1 1 349.435 0.639 20 30 ECEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCO1 ZINC000875325929 590293103 /nfs/dbraw/zinc/29/31/03/590293103.db2.gz UHYYYWQNQPRGAQ-YESZJQIVSA-N 1 1 347.459 0.807 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000875599909 590313129 /nfs/dbraw/zinc/31/31/29/590313129.db2.gz URIMWTOJASWUKD-CVEARBPZSA-N 1 1 337.464 0.864 20 30 ECEDMO CN1C(=O)[C@H]2C[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]2C1=O ZINC000879533116 590320474 /nfs/dbraw/zinc/32/04/74/590320474.db2.gz CQUVAVOCYBIQLI-TXEJJXNPSA-N 1 1 346.774 0.697 20 30 ECEDMO CN1C(=O)[C@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]2C1=O ZINC000879533116 590320477 /nfs/dbraw/zinc/32/04/77/590320477.db2.gz CQUVAVOCYBIQLI-TXEJJXNPSA-N 1 1 346.774 0.697 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879764147 590342485 /nfs/dbraw/zinc/34/24/85/590342485.db2.gz RNECLMQBGQUBJX-CYBMUJFWSA-N 1 1 334.342 0.891 20 30 ECEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879764147 590342487 /nfs/dbraw/zinc/34/24/87/590342487.db2.gz RNECLMQBGQUBJX-CYBMUJFWSA-N 1 1 334.342 0.891 20 30 ECEDMO C#CCC1(O)CC[NH+](CC(=O)NC2(C(=O)OC)CCCCC2)CC1 ZINC000880481805 590395324 /nfs/dbraw/zinc/39/53/24/590395324.db2.gz OVVYVBILTSYADZ-UHFFFAOYSA-N 1 1 336.432 0.829 20 30 ECEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880527732 590400307 /nfs/dbraw/zinc/40/03/07/590400307.db2.gz UOUYPMLRCYCEDV-LXZKKBNFSA-N 1 1 329.400 0.898 20 30 ECEDMO CCN(CCS(C)(=O)=O)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876893240 590423514 /nfs/dbraw/zinc/42/35/14/590423514.db2.gz YIDVWBFSOAFZBX-OAHLLOKOSA-N 1 1 335.429 0.638 20 30 ECEDMO C[C@@H]1[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCS1(=O)=O ZINC000877041637 590436268 /nfs/dbraw/zinc/43/62/68/590436268.db2.gz IGUCBSXVSRIBGR-VCTAVGKDSA-N 1 1 333.413 0.437 20 30 ECEDMO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000878315763 590515464 /nfs/dbraw/zinc/51/54/64/590515464.db2.gz VJHABAFJHRXYQE-UHFFFAOYSA-N 1 1 344.440 0.820 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879083181 590563727 /nfs/dbraw/zinc/56/37/27/590563727.db2.gz HYHFBIGPNHPSGM-STQMWFEESA-N 1 1 327.425 0.284 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879083181 590563729 /nfs/dbraw/zinc/56/37/29/590563729.db2.gz HYHFBIGPNHPSGM-STQMWFEESA-N 1 1 327.425 0.284 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc1 ZINC000882631178 590564881 /nfs/dbraw/zinc/56/48/81/590564881.db2.gz CDAVCKGATLSQLJ-QGZVFWFLSA-N 1 1 342.443 0.589 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879228938 590572603 /nfs/dbraw/zinc/57/26/03/590572603.db2.gz OMFSGESYONQTLD-ZDUSSCGKSA-N 1 1 328.416 0.833 20 30 ECEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879228938 590572605 /nfs/dbraw/zinc/57/26/05/590572605.db2.gz OMFSGESYONQTLD-ZDUSSCGKSA-N 1 1 328.416 0.833 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@H+]1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879268610 590575269 /nfs/dbraw/zinc/57/52/69/590575269.db2.gz FNVFEMMXLNKKRU-NUEKZKHPSA-N 1 1 328.416 0.629 20 30 ECEDMO C#CCNC(=O)[C@H](C)[N@@H+]1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879268610 590575271 /nfs/dbraw/zinc/57/52/71/590575271.db2.gz FNVFEMMXLNKKRU-NUEKZKHPSA-N 1 1 328.416 0.629 20 30 ECEDMO CNC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000879338179 590580539 /nfs/dbraw/zinc/58/05/39/590580539.db2.gz NQUYBWGGKSYODA-LSDHHAIUSA-N 1 1 338.452 0.841 20 30 ECEDMO C=C[C@H](CO)[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000883180793 590608596 /nfs/dbraw/zinc/60/85/96/590608596.db2.gz LDOXLYGAXRTKAW-GHMZBOCLSA-N 1 1 333.841 0.841 20 30 ECEDMO C#C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(C)C ZINC000883623589 590633597 /nfs/dbraw/zinc/63/35/97/590633597.db2.gz ACRCHESSISITHR-SJORKVTESA-N 1 1 336.480 0.740 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885308265 590712351 /nfs/dbraw/zinc/71/23/51/590712351.db2.gz VXQKLCXDFXZDSO-NFAWXSAZSA-N 1 1 325.434 0.256 20 30 ECEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885308265 590712355 /nfs/dbraw/zinc/71/23/55/590712355.db2.gz VXQKLCXDFXZDSO-NFAWXSAZSA-N 1 1 325.434 0.256 20 30 ECEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885308264 590712699 /nfs/dbraw/zinc/71/26/99/590712699.db2.gz VXQKLCXDFXZDSO-IPYPFGDCSA-N 1 1 325.434 0.256 20 30 ECEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885308264 590712702 /nfs/dbraw/zinc/71/27/02/590712702.db2.gz VXQKLCXDFXZDSO-IPYPFGDCSA-N 1 1 325.434 0.256 20 30 ECEDMO N#C[C@@]12CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@@H]1CS(=O)(=O)C2 ZINC000885310542 590712873 /nfs/dbraw/zinc/71/28/73/590712873.db2.gz DGHIALIKMOBGHZ-NYTXWWLZSA-N 1 1 337.445 0.400 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000884137498 590751856 /nfs/dbraw/zinc/75/18/56/590751856.db2.gz NTNACUMLUGIEMY-INIZCTEOSA-N 1 1 346.406 0.952 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000884137498 590751859 /nfs/dbraw/zinc/75/18/59/590751859.db2.gz NTNACUMLUGIEMY-INIZCTEOSA-N 1 1 346.406 0.952 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCOC[C@H]2OCCOC)C1 ZINC000884277893 590794226 /nfs/dbraw/zinc/79/42/26/590794226.db2.gz XYORBOYLTNYALU-ARFHVFGLSA-N 1 1 339.436 0.204 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCOC[C@H]2OCCOC)C1 ZINC000884277893 590794229 /nfs/dbraw/zinc/79/42/29/590794229.db2.gz XYORBOYLTNYALU-ARFHVFGLSA-N 1 1 339.436 0.204 20 30 ECEDMO COCc1noc(CN2CC[NH+](C[C@H](O)CC3(C#N)CCC3)CC2)n1 ZINC000886158013 590798523 /nfs/dbraw/zinc/79/85/23/590798523.db2.gz POSJSZKMEGERPQ-CQSZACIVSA-N 1 1 349.435 0.778 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)C2(O)CCOCC2)C1 ZINC000884420935 590824910 /nfs/dbraw/zinc/82/49/10/590824910.db2.gz IHEVQCHAZSMAKM-HNNXBMFYSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)C2(O)CCOCC2)C1 ZINC000884420935 590824915 /nfs/dbraw/zinc/82/49/15/590824915.db2.gz IHEVQCHAZSMAKM-HNNXBMFYSA-N 1 1 337.464 0.951 20 30 ECEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000886353935 590834022 /nfs/dbraw/zinc/83/40/22/590834022.db2.gz SORKBMUXJPAXOV-ZDUSSCGKSA-N 1 1 335.429 0.926 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(C#N)cn2)CC1 ZINC000889229922 591045645 /nfs/dbraw/zinc/04/56/45/591045645.db2.gz LCIMZSPSELHVJY-AWEZNQCLSA-N 1 1 342.403 0.724 20 30 ECEDMO N#Cc1ccc(OCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000889782992 591094601 /nfs/dbraw/zinc/09/46/01/591094601.db2.gz WIGMUGBRXCDNTI-SJORKVTESA-N 1 1 329.400 0.995 20 30 ECEDMO C#CCN1CCC[C@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000890361546 591150532 /nfs/dbraw/zinc/15/05/32/591150532.db2.gz UIMSUZGLYIKSMS-DOTOQJQBSA-N 1 1 334.464 0.325 20 30 ECEDMO C[NH+]=C(NCCc1ccco1)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000154580431 611354578 /nfs/dbraw/zinc/35/45/78/611354578.db2.gz AEPZJNCIKOSJIX-MRXNPFEDSA-N 1 1 347.463 0.636 20 30 ECEDMO C#CC[N@@H+](C)CCCNC(=O)N1CC(=O)NC[C@H]1c1ccccc1 ZINC000922632165 611356809 /nfs/dbraw/zinc/35/68/09/611356809.db2.gz ZMNKFSALJQVWTK-INIZCTEOSA-N 1 1 328.416 0.824 20 30 ECEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2CC1 ZINC000946595321 611358650 /nfs/dbraw/zinc/35/86/50/611358650.db2.gz SSHHYIUTCUYDQE-TWMKSMIVSA-N 1 1 349.475 0.884 20 30 ECEDMO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890143689 611364144 /nfs/dbraw/zinc/36/41/44/611364144.db2.gz XLCBCDHTQPFIDL-HZPDHXFCSA-N 1 1 337.468 0.584 20 30 ECEDMO Cc1cc(C#N)cc(C)c1C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC000930007339 611379616 /nfs/dbraw/zinc/37/96/16/611379616.db2.gz NCCNJOVKRHSKOK-UHFFFAOYSA-N 1 1 336.461 0.581 20 30 ECEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)CC[C@@H]2C1 ZINC000946689693 611415250 /nfs/dbraw/zinc/41/52/50/611415250.db2.gz HCMSOXTYNDXBRI-IYBDPMFKSA-N 1 1 347.463 0.718 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CCN1CCNC1=O ZINC000947175877 611451133 /nfs/dbraw/zinc/45/11/33/611451133.db2.gz UWGJBNHJGCJCQT-OCCSQVGLSA-N 1 1 344.419 0.494 20 30 ECEDMO N#CC[C@@H](O)C[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC000930642064 611450064 /nfs/dbraw/zinc/45/00/64/611450064.db2.gz NTUOLAKAKFUJJS-UPJWGTAASA-N 1 1 349.353 0.809 20 30 ECEDMO C=CCOC[C@@H]1NC(=O)N(CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1=O ZINC000925275737 611464654 /nfs/dbraw/zinc/46/46/54/611464654.db2.gz UKCGSXDETHAZQU-IHRRRGAJSA-N 1 1 325.409 0.609 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000931092678 611505959 /nfs/dbraw/zinc/50/59/59/611505959.db2.gz GJGBBFCBEAPMFC-CVEARBPZSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000931092678 611505960 /nfs/dbraw/zinc/50/59/60/611505960.db2.gz GJGBBFCBEAPMFC-CVEARBPZSA-N 1 1 337.464 0.720 20 30 ECEDMO C#CC1(O)CC[NH+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000931147871 611511231 /nfs/dbraw/zinc/51/12/31/611511231.db2.gz LWOPKHKZHUVPBT-UHFFFAOYSA-N 1 1 331.416 0.384 20 30 ECEDMO C#CCNC(=O)C[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000933505862 611731137 /nfs/dbraw/zinc/73/11/37/611731137.db2.gz XWAMLOMMFSKOFL-UHFFFAOYSA-N 1 1 339.436 0.742 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H]1C ZINC000947441297 611539199 /nfs/dbraw/zinc/53/91/99/611539199.db2.gz HXUMMVXQWOEKHT-DZGCQCFKSA-N 1 1 338.473 0.804 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C[C@@H]1C ZINC000947478934 611553286 /nfs/dbraw/zinc/55/32/86/611553286.db2.gz IGDXBDPOQQLRAV-UONOGXRCSA-N 1 1 342.403 0.926 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1C ZINC000947502307 611569567 /nfs/dbraw/zinc/56/95/67/611569567.db2.gz MOPUDTQXIOJTAA-DGCLKSJQSA-N 1 1 328.372 0.628 20 30 ECEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C ZINC000947523275 611579282 /nfs/dbraw/zinc/57/92/82/611579282.db2.gz ADDVXCNYANRBSO-ZIAGYGMSSA-N 1 1 332.404 0.106 20 30 ECEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000948444482 611599498 /nfs/dbraw/zinc/59/94/98/611599498.db2.gz BGAVPWRVWTVUHE-RYUDHWBXSA-N 1 1 342.827 0.650 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C ZINC000947597827 611613182 /nfs/dbraw/zinc/61/31/82/611613182.db2.gz JCFGHNZMUWPWMB-YPMHNXCESA-N 1 1 342.407 0.300 20 30 ECEDMO COc1ncc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000932509133 611635884 /nfs/dbraw/zinc/63/58/84/611635884.db2.gz XNSXGJRAGJODBZ-ZIAGYGMSSA-N 1 1 331.376 0.947 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccnc3c2nnn3C)C[C@H]1C ZINC000947663029 611640835 /nfs/dbraw/zinc/64/08/35/611640835.db2.gz OLFJSRPBYKTYRT-OLZOCXBDSA-N 1 1 326.404 0.969 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C ZINC000947369210 608599516 /nfs/dbraw/zinc/59/95/16/608599516.db2.gz HXDDSBQQWBRRMB-ZIAGYGMSSA-N 1 1 327.450 0.014 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C ZINC000947370923 608602953 /nfs/dbraw/zinc/60/29/53/608602953.db2.gz WODFVDIKUVCZFP-KBPBESRZSA-N 1 1 329.466 0.567 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](C(=O)OCC)[C@H]3C2)C1 ZINC000924037691 608606921 /nfs/dbraw/zinc/60/69/21/608606921.db2.gz UOMJVNCLIJCGLG-XUWVNRHRSA-N 1 1 333.432 0.925 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](C(=O)OCC)[C@H]3C2)C1 ZINC000924037691 608606922 /nfs/dbraw/zinc/60/69/22/608606922.db2.gz UOMJVNCLIJCGLG-XUWVNRHRSA-N 1 1 333.432 0.925 20 30 ECEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC000949346353 608647364 /nfs/dbraw/zinc/64/73/64/608647364.db2.gz CHHGVRFXHKYXIH-UHFFFAOYSA-N 1 1 335.448 0.734 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC000949369125 608656041 /nfs/dbraw/zinc/65/60/41/608656041.db2.gz LJSOBIFZBLZFQU-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC000949369125 608656043 /nfs/dbraw/zinc/65/60/43/608656043.db2.gz LJSOBIFZBLZFQU-CABCVRRESA-N 1 1 342.399 0.216 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC000936909833 608663330 /nfs/dbraw/zinc/66/33/30/608663330.db2.gz HFPQVRFFXBGNET-IAGOWNOFSA-N 1 1 340.427 0.830 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000947460352 608755852 /nfs/dbraw/zinc/75/58/52/608755852.db2.gz SRXYGNXNEZFDBG-AAEUAGOBSA-N 1 1 339.417 0.533 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000936948635 608781822 /nfs/dbraw/zinc/78/18/22/608781822.db2.gz XISRFTSZHHNSAY-HOTGVXAUSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000936948635 608781825 /nfs/dbraw/zinc/78/18/25/608781825.db2.gz XISRFTSZHHNSAY-HOTGVXAUSA-N 1 1 344.415 0.374 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC000947229963 608798622 /nfs/dbraw/zinc/79/86/22/608798622.db2.gz JQBRNIHJXMLEOU-JKSUJKDBSA-N 1 1 333.432 0.370 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC000947229963 608798626 /nfs/dbraw/zinc/79/86/26/608798626.db2.gz JQBRNIHJXMLEOU-JKSUJKDBSA-N 1 1 333.432 0.370 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C2)c1 ZINC000947711286 611662901 /nfs/dbraw/zinc/66/29/01/611662901.db2.gz UXSNLUPWPRSWKC-BBRMVZONSA-N 1 1 328.416 0.734 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C ZINC000947712031 611663651 /nfs/dbraw/zinc/66/36/51/611663651.db2.gz ZVTJTVPPZQCPJM-MNOVXSKESA-N 1 1 341.437 0.216 20 30 ECEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000948591387 611663941 /nfs/dbraw/zinc/66/39/41/611663941.db2.gz WOVJMVBHTWRVGO-CQSZACIVSA-N 1 1 334.420 0.838 20 30 ECEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928568049 608890007 /nfs/dbraw/zinc/89/00/07/608890007.db2.gz DFFGSFMDYFQOJQ-AWEZNQCLSA-N 1 1 326.404 0.971 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000937036464 608919048 /nfs/dbraw/zinc/91/90/48/608919048.db2.gz AAJODEFNSIEZSI-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000937036464 608919049 /nfs/dbraw/zinc/91/90/49/608919049.db2.gz AAJODEFNSIEZSI-GJZGRUSLSA-N 1 1 344.415 0.754 20 30 ECEDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCn1cncn1 ZINC000947205590 608920698 /nfs/dbraw/zinc/92/06/98/608920698.db2.gz SQPKVAYEPWUJQU-OCCSQVGLSA-N 1 1 327.392 0.761 20 30 ECEDMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCC#CCO)C2)cc(OC)c1 ZINC000923777347 608926544 /nfs/dbraw/zinc/92/65/44/608926544.db2.gz PGQAPRWRURXVAJ-OAHLLOKOSA-N 1 1 347.415 0.573 20 30 ECEDMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCC#CCO)C2)cc(OC)c1 ZINC000923777347 608926546 /nfs/dbraw/zinc/92/65/46/608926546.db2.gz PGQAPRWRURXVAJ-OAHLLOKOSA-N 1 1 347.415 0.573 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000937181706 609020875 /nfs/dbraw/zinc/02/08/75/609020875.db2.gz RQHWCTPZJSXTBT-UKRRQHHQSA-N 1 1 343.431 0.901 20 30 ECEDMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937843280 609110667 /nfs/dbraw/zinc/11/06/67/609110667.db2.gz VOHITRGEDVVXOC-JSGCOSHPSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000937842465 609116369 /nfs/dbraw/zinc/11/63/69/609116369.db2.gz WTBZDDGQPBWBEJ-OCCSQVGLSA-N 1 1 329.404 0.559 20 30 ECEDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](CC#N)C(F)(F)F)CC1 ZINC000932925758 611685543 /nfs/dbraw/zinc/68/55/43/611685543.db2.gz VJNKDWDCFZQYNK-SNVBAGLBSA-N 1 1 335.330 0.341 20 30 ECEDMO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC[N@H+]1C ZINC000937852443 609356134 /nfs/dbraw/zinc/35/61/34/609356134.db2.gz DLGQXOQXDOGGNA-CWRNSKLLSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000932965675 611695526 /nfs/dbraw/zinc/69/55/26/611695526.db2.gz QEOGOJOAYVJPHH-RDJZCZTQSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000938170679 609482372 /nfs/dbraw/zinc/48/23/72/609482372.db2.gz MAMPTIFPSORZRJ-XUXIUFHCSA-N 1 1 339.386 0.702 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000938170679 609482374 /nfs/dbraw/zinc/48/23/74/609482374.db2.gz MAMPTIFPSORZRJ-XUXIUFHCSA-N 1 1 339.386 0.702 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2ccc(C)n2)C1 ZINC000938170524 609482532 /nfs/dbraw/zinc/48/25/32/609482532.db2.gz JFDBEIBFSWGMLG-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2ccc(C)n2)C1 ZINC000938170524 609482534 /nfs/dbraw/zinc/48/25/34/609482534.db2.gz JFDBEIBFSWGMLG-HOTGVXAUSA-N 1 1 343.431 0.006 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnn(CC)c2)C1 ZINC000938171021 609483142 /nfs/dbraw/zinc/48/31/42/609483142.db2.gz SLNMWEJWPCPIRY-HOTGVXAUSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnn(CC)c2)C1 ZINC000938171021 609483143 /nfs/dbraw/zinc/48/31/43/609483143.db2.gz SLNMWEJWPCPIRY-HOTGVXAUSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC000938171051 609483163 /nfs/dbraw/zinc/48/31/63/609483163.db2.gz UQBKIMOYAYXTGT-HOCLYGCPSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC000938171051 609483164 /nfs/dbraw/zinc/48/31/64/609483164.db2.gz UQBKIMOYAYXTGT-HOCLYGCPSA-N 1 1 343.431 0.075 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC(OCC)C2)C1 ZINC000938171068 609483293 /nfs/dbraw/zinc/48/32/93/609483293.db2.gz VQMCNEDRMSCNCM-XGHPGWEVSA-N 1 1 347.459 0.616 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC(OCC)C2)C1 ZINC000938171068 609483295 /nfs/dbraw/zinc/48/32/95/609483295.db2.gz VQMCNEDRMSCNCM-XGHPGWEVSA-N 1 1 347.459 0.616 20 30 ECEDMO CN1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@H+](C)CC1 ZINC000907791062 609622622 /nfs/dbraw/zinc/62/26/22/609622622.db2.gz VGIWSPNXGJVDCZ-UHFFFAOYSA-N 1 1 342.490 0.629 20 30 ECEDMO CN1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@@H+](C)CC1 ZINC000907791062 609622623 /nfs/dbraw/zinc/62/26/23/609622623.db2.gz VGIWSPNXGJVDCZ-UHFFFAOYSA-N 1 1 342.490 0.629 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000907851768 609626115 /nfs/dbraw/zinc/62/61/15/609626115.db2.gz CDFSUGWGGDRBDC-NVXWUHKLSA-N 1 1 329.404 0.057 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000908002612 609634842 /nfs/dbraw/zinc/63/48/42/609634842.db2.gz XXQYJQWKFUOZKA-CVEARBPZSA-N 1 1 335.429 0.778 20 30 ECEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000908002612 609634843 /nfs/dbraw/zinc/63/48/43/609634843.db2.gz XXQYJQWKFUOZKA-CVEARBPZSA-N 1 1 335.429 0.778 20 30 ECEDMO CC(C)(CC#N)CS(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000908015589 609638096 /nfs/dbraw/zinc/63/80/96/609638096.db2.gz QWTFMXGJTPXNLK-UONOGXRCSA-N 1 1 329.466 0.787 20 30 ECEDMO N#Cc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000908000605 609640156 /nfs/dbraw/zinc/64/01/56/609640156.db2.gz HIUKRGTXIOWIFU-SJORKVTESA-N 1 1 349.456 0.919 20 30 ECEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cccc(C#CCO)c1 ZINC000908240406 609648647 /nfs/dbraw/zinc/64/86/47/609648647.db2.gz VIPKZOXMMIDEMX-UHFFFAOYSA-N 1 1 331.460 0.986 20 30 ECEDMO CN(CCCN(C)C(=O)c1cccc(C#CCO)c1)CC[NH+](C)C ZINC000908240406 609648648 /nfs/dbraw/zinc/64/86/48/609648648.db2.gz VIPKZOXMMIDEMX-UHFFFAOYSA-N 1 1 331.460 0.986 20 30 ECEDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000908348153 609651463 /nfs/dbraw/zinc/65/14/63/609651463.db2.gz UPGYCHPFVSEOOZ-JKIFEVAISA-N 1 1 330.388 0.388 20 30 ECEDMO CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CCCN(O)C2=O)CC1 ZINC000908405069 609653048 /nfs/dbraw/zinc/65/30/48/609653048.db2.gz CTVGSJSJTWPRMI-AWEZNQCLSA-N 1 1 326.441 0.289 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000919982584 609668607 /nfs/dbraw/zinc/66/86/07/609668607.db2.gz UAKCLFAZGDHFKC-ABAIWWIYSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919982584 609668609 /nfs/dbraw/zinc/66/86/09/609668609.db2.gz UAKCLFAZGDHFKC-ABAIWWIYSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@H]1C[N@H+](C)CCN1C ZINC000920001961 609670191 /nfs/dbraw/zinc/67/01/91/609670191.db2.gz YYFYXMGMANMOIX-BXUZGUMPSA-N 1 1 340.424 0.610 20 30 ECEDMO C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@H]1C[N@@H+](C)CCN1C ZINC000920001961 609670192 /nfs/dbraw/zinc/67/01/92/609670192.db2.gz YYFYXMGMANMOIX-BXUZGUMPSA-N 1 1 340.424 0.610 20 30 ECEDMO C#CCCS(=O)(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000920303706 609679020 /nfs/dbraw/zinc/67/90/20/609679020.db2.gz RLLPPPYFFMBRHG-KLHDSHLOSA-N 1 1 328.478 0.799 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C[C@@H]1C ZINC000947852834 609695967 /nfs/dbraw/zinc/69/59/67/609695967.db2.gz MISRLFHUXLXSRX-HOCLYGCPSA-N 1 1 330.432 0.853 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@@H]1C ZINC000947853980 609697843 /nfs/dbraw/zinc/69/78/43/609697843.db2.gz YNEZNGPIMFHJRY-WCQYABFASA-N 1 1 332.404 0.731 20 30 ECEDMO C#CC[C@H](CO)NC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000921339839 609705757 /nfs/dbraw/zinc/70/57/57/609705757.db2.gz NEJHXLHCXUBEDY-OAHLLOKOSA-N 1 1 331.420 0.746 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000938289961 609739984 /nfs/dbraw/zinc/73/99/84/609739984.db2.gz ZZIRLYFVNSHNNZ-ZDUSSCGKSA-N 1 1 326.360 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H](C)c2nnc(C)o2)CC1 ZINC000948825652 609758658 /nfs/dbraw/zinc/75/86/58/609758658.db2.gz KUMSQAHIBSQWAW-ZFWWWQNUSA-N 1 1 331.420 0.681 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H](C)c2nnc(C)o2)CC1 ZINC000948825652 609758659 /nfs/dbraw/zinc/75/86/59/609758659.db2.gz KUMSQAHIBSQWAW-ZFWWWQNUSA-N 1 1 331.420 0.681 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nc1 ZINC000938373278 609759462 /nfs/dbraw/zinc/75/94/62/609759462.db2.gz MPJVOJNAZBNWSA-ZBFHGGJFSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC000923596125 609803330 /nfs/dbraw/zinc/80/33/30/609803330.db2.gz ZNZGKIPPDOITFL-XYJFISCASA-N 1 1 340.427 0.815 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC000923596125 609803331 /nfs/dbraw/zinc/80/33/31/609803331.db2.gz ZNZGKIPPDOITFL-XYJFISCASA-N 1 1 340.427 0.815 20 30 ECEDMO N#Cc1ccc([C@H](O)C(=O)N2CC[NH+](CCCCCO)CC2)cc1 ZINC000913693097 609812686 /nfs/dbraw/zinc/81/26/86/609812686.db2.gz MUJYYJPTVYNOSA-KRWDZBQOSA-N 1 1 331.416 0.898 20 30 ECEDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000912299589 609944897 /nfs/dbraw/zinc/94/48/97/609944897.db2.gz AWNZOBHMKPEWFY-LRDDRELGSA-N 1 1 334.445 0.723 20 30 ECEDMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=NN1CC[NH+](C)CC1 ZINC000917022741 609958002 /nfs/dbraw/zinc/95/80/02/609958002.db2.gz HUQPOAZDWNWIHX-CQSZACIVSA-N 1 1 339.465 0.441 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000917042699 609958161 /nfs/dbraw/zinc/95/81/61/609958161.db2.gz BHADBFLWEUMCRT-INIZCTEOSA-N 1 1 334.445 0.368 20 30 ECEDMO N#Cc1cccc(CS(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000917042699 609958162 /nfs/dbraw/zinc/95/81/62/609958162.db2.gz BHADBFLWEUMCRT-INIZCTEOSA-N 1 1 334.445 0.368 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CCCN2CCCC2=O)CC1 ZINC000948835218 611724787 /nfs/dbraw/zinc/72/47/87/611724787.db2.gz JUVAFDZGCSRRCV-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCCN2CCCC2=O)CC1 ZINC000948835218 611724789 /nfs/dbraw/zinc/72/47/89/611724789.db2.gz JUVAFDZGCSRRCV-KRWDZBQOSA-N 1 1 346.475 0.241 20 30 ECEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000938878464 610008320 /nfs/dbraw/zinc/00/83/20/610008320.db2.gz LQRXBLAVJUUXSH-CQSZACIVSA-N 1 1 340.387 0.764 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000939677023 610086051 /nfs/dbraw/zinc/08/60/51/610086051.db2.gz IPEUXZXTVDAFCF-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC000939677023 610086052 /nfs/dbraw/zinc/08/60/52/610086052.db2.gz IPEUXZXTVDAFCF-XHSDSOJGSA-N 1 1 333.432 0.228 20 30 ECEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nncn3C)C2)nn1 ZINC000939294181 610149982 /nfs/dbraw/zinc/14/99/82/610149982.db2.gz YUSOTOHVYBBZHO-OLZOCXBDSA-N 1 1 344.423 0.233 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000939866269 610153091 /nfs/dbraw/zinc/15/30/91/610153091.db2.gz HUUDKJNGQPUPDW-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000939866269 610153093 /nfs/dbraw/zinc/15/30/93/610153093.db2.gz HUUDKJNGQPUPDW-HZPDHXFCSA-N 1 1 335.448 0.781 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000939871190 610157117 /nfs/dbraw/zinc/15/71/17/610157117.db2.gz HVHSNPTUZVYIRY-SJORKVTESA-N 1 1 341.411 0.329 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000939871190 610157118 /nfs/dbraw/zinc/15/71/18/610157118.db2.gz HVHSNPTUZVYIRY-SJORKVTESA-N 1 1 341.411 0.329 20 30 ECEDMO CC(C)(C(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1)c1c[nH]cn1 ZINC000940062670 610198625 /nfs/dbraw/zinc/19/86/25/610198625.db2.gz HBIOXYYSPZMHML-GFCCVEGCSA-N 1 1 340.387 0.918 20 30 ECEDMO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000940288258 610260187 /nfs/dbraw/zinc/26/01/87/610260187.db2.gz QLAVPTPCSHRXOC-DVOMOZLQSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cn[nH]c2)CC1 ZINC000940355554 610267568 /nfs/dbraw/zinc/26/75/68/610267568.db2.gz PVAUCTDCAUAIMQ-HNNXBMFYSA-N 1 1 329.404 0.182 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2cn[nH]c2)CC1 ZINC000940355554 610267569 /nfs/dbraw/zinc/26/75/69/610267569.db2.gz PVAUCTDCAUAIMQ-HNNXBMFYSA-N 1 1 329.404 0.182 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC000940448392 610283226 /nfs/dbraw/zinc/28/32/26/610283226.db2.gz FOQWPEAHXGRWCP-PMPSAXMXSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC000940448392 610283227 /nfs/dbraw/zinc/28/32/27/610283227.db2.gz FOQWPEAHXGRWCP-PMPSAXMXSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC000940448390 610283246 /nfs/dbraw/zinc/28/32/46/610283246.db2.gz FOQWPEAHXGRWCP-OAGGEKHMSA-N 1 1 329.444 0.991 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC000940448390 610283247 /nfs/dbraw/zinc/28/32/47/610283247.db2.gz FOQWPEAHXGRWCP-OAGGEKHMSA-N 1 1 329.444 0.991 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc4n[nH]cc4c3)CC2)C1 ZINC000941452469 610326286 /nfs/dbraw/zinc/32/62/86/610326286.db2.gz XOUKFVDKTLLSPT-UHFFFAOYSA-N 1 1 326.404 0.586 20 30 ECEDMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940656727 610326436 /nfs/dbraw/zinc/32/64/36/610326436.db2.gz FLYNCNJAZRNAAF-GJZGRUSLSA-N 1 1 343.431 0.995 20 30 ECEDMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)C1=O ZINC000940659478 610326632 /nfs/dbraw/zinc/32/66/32/610326632.db2.gz ZAPNUNJSCPEFAK-LSDHHAIUSA-N 1 1 343.431 0.947 20 30 ECEDMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)C1=O ZINC000940664206 610327967 /nfs/dbraw/zinc/32/79/67/610327967.db2.gz IZZFVSUVERDDAH-HUUCEWRRSA-N 1 1 343.431 0.947 20 30 ECEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C ZINC000947895062 610329121 /nfs/dbraw/zinc/32/91/21/610329121.db2.gz GSOIGUZRVINORW-STQMWFEESA-N 1 1 336.436 0.862 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)C1 ZINC000941465268 610333968 /nfs/dbraw/zinc/33/39/68/610333968.db2.gz ODEBVLATCATCBC-MRXNPFEDSA-N 1 1 341.459 0.297 20 30 ECEDMO C#CCN1CC(N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)C1 ZINC000941489432 610339721 /nfs/dbraw/zinc/33/97/21/610339721.db2.gz GRYLFAHMJLXRSP-UHFFFAOYSA-N 1 1 341.459 0.224 20 30 ECEDMO Cc1[nH+]ccn1CC(=O)N1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000940789636 610363680 /nfs/dbraw/zinc/36/36/80/610363680.db2.gz SVGIKPAOEURKNY-UHFFFAOYSA-N 1 1 340.387 0.766 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C(C)(C)C1 ZINC000940771142 610364467 /nfs/dbraw/zinc/36/44/67/610364467.db2.gz JZXDAJDVKHDOKL-ZDUSSCGKSA-N 1 1 332.452 0.821 20 30 ECEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C(C)(C)C1 ZINC000940781836 610368940 /nfs/dbraw/zinc/36/89/40/610368940.db2.gz DDLAFGRJSIBQQE-ZIAGYGMSSA-N 1 1 333.432 0.764 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C3CN(CC#N)C3)CC1)C2 ZINC000941566732 610386448 /nfs/dbraw/zinc/38/64/48/610386448.db2.gz LSJDHZLUJCSFID-HNNXBMFYSA-N 1 1 342.447 0.106 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](C)C1 ZINC000942313085 610392544 /nfs/dbraw/zinc/39/25/44/610392544.db2.gz FJRPSSKBPRAPQE-KBPBESRZSA-N 1 1 334.420 0.742 20 30 ECEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000940850079 610399165 /nfs/dbraw/zinc/39/91/65/610399165.db2.gz ASEZUSHVSOAXDF-GFCCVEGCSA-N 1 1 341.843 0.551 20 30 ECEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000940850079 610399168 /nfs/dbraw/zinc/39/91/68/610399168.db2.gz ASEZUSHVSOAXDF-GFCCVEGCSA-N 1 1 341.843 0.551 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000940867734 610403598 /nfs/dbraw/zinc/40/35/98/610403598.db2.gz JVFSPMDXLJDRPJ-CYBMUJFWSA-N 1 1 332.404 0.189 20 30 ECEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc3sccn3c2=O)[C@H](C)C1 ZINC000942341895 610412280 /nfs/dbraw/zinc/41/22/80/610412280.db2.gz CIXZVVHFTDHQKT-YPMHNXCESA-N 1 1 330.413 0.829 20 30 ECEDMO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnn(C(F)F)c3)CC2)C1 ZINC000941617589 610412714 /nfs/dbraw/zinc/41/27/14/610412714.db2.gz DSKZCWURKKGPHH-UHFFFAOYSA-N 1 1 337.374 0.744 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3cnn(C)c3)CC2)C1 ZINC000941627330 610416107 /nfs/dbraw/zinc/41/61/07/610416107.db2.gz DHWNUGDMCWOWSQ-UHFFFAOYSA-N 1 1 331.464 0.712 20 30 ECEDMO C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC000941632535 610418555 /nfs/dbraw/zinc/41/85/55/610418555.db2.gz JLCPELKXXBBZKN-HNNXBMFYSA-N 1 1 343.475 0.919 20 30 ECEDMO C=CC[NH+]1CC(N2CCN(C(=O)c3ccc(=O)n(CCC)n3)CC2)C1 ZINC000941665380 610456642 /nfs/dbraw/zinc/45/66/42/610456642.db2.gz VPPLMJMFWLUWQO-UHFFFAOYSA-N 1 1 345.447 0.281 20 30 ECEDMO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000942433366 610458048 /nfs/dbraw/zinc/45/80/48/610458048.db2.gz AWHCZWHBNLFQJI-BBWFWOEESA-N 1 1 346.475 0.143 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000942484462 610483343 /nfs/dbraw/zinc/48/33/43/610483343.db2.gz MYSCNLLQDWDTIQ-LVQVYYBASA-N 1 1 333.432 0.369 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000942484462 610483345 /nfs/dbraw/zinc/48/33/45/610483345.db2.gz MYSCNLLQDWDTIQ-LVQVYYBASA-N 1 1 333.432 0.369 20 30 ECEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C(C)(C)C1 ZINC000941014639 610494700 /nfs/dbraw/zinc/49/47/00/610494700.db2.gz GRBKHYBCFQRPQO-NSHDSACASA-N 1 1 341.437 0.073 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000941771731 610497449 /nfs/dbraw/zinc/49/74/49/610497449.db2.gz XNOBYBVYXAWXHT-YOFIQYCBSA-N 1 1 346.431 0.070 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941085879 610529238 /nfs/dbraw/zinc/52/92/38/610529238.db2.gz YARJRJQFTPKGRV-AAEUAGOBSA-N 1 1 334.424 0.168 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)CC2(C)C)nn1 ZINC000941085879 610529240 /nfs/dbraw/zinc/52/92/40/610529240.db2.gz YARJRJQFTPKGRV-AAEUAGOBSA-N 1 1 334.424 0.168 20 30 ECEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@H]2C)C1 ZINC000942607636 610536620 /nfs/dbraw/zinc/53/66/20/610536620.db2.gz INVPYISVLLEJQK-KGLIPLIRSA-N 1 1 348.447 0.721 20 30 ECEDMO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2C)c1 ZINC000942618388 610539497 /nfs/dbraw/zinc/53/94/97/610539497.db2.gz VESQALDTTXGEET-WMLDXEAASA-N 1 1 340.427 0.735 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000941879670 610550281 /nfs/dbraw/zinc/55/02/81/610550281.db2.gz LUVXCLHAJOWHDU-NVXWUHKLSA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C(C)(C)C1 ZINC000941123322 610553782 /nfs/dbraw/zinc/55/37/82/610553782.db2.gz GHHIFNZZRIIQTL-ZDUSSCGKSA-N 1 1 332.404 0.589 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C(C)(C)C1 ZINC000941163617 610571359 /nfs/dbraw/zinc/57/13/59/610571359.db2.gz MZWUGWOGENFAOQ-NSHDSACASA-N 1 1 348.403 0.750 20 30 ECEDMO C[C@H]1C[N@@H+](CCN2CCCC2=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941942372 610571409 /nfs/dbraw/zinc/57/14/09/610571409.db2.gz IELAGZKBJHTBIS-XJKSGUPXSA-N 1 1 343.431 0.949 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C(C)(C)C1 ZINC000941147185 610573408 /nfs/dbraw/zinc/57/34/08/610573408.db2.gz FWFCREOXCPIYEZ-CQSZACIVSA-N 1 1 345.447 0.231 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000941148979 610573749 /nfs/dbraw/zinc/57/37/49/610573749.db2.gz VMRYGNNTGRJYCV-ZDUSSCGKSA-N 1 1 336.436 0.721 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)CC2(C)C)nc1 ZINC000941169736 610583489 /nfs/dbraw/zinc/58/34/89/610583489.db2.gz ROMPZLMZCWHJII-WFASDCNBSA-N 1 1 328.416 0.767 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)CC2(C)C)nc1 ZINC000941169736 610583492 /nfs/dbraw/zinc/58/34/92/610583492.db2.gz ROMPZLMZCWHJII-WFASDCNBSA-N 1 1 328.416 0.767 20 30 ECEDMO C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966372 610588218 /nfs/dbraw/zinc/58/82/18/610588218.db2.gz JJZPVVLFYVCNAV-RISCZKNCSA-N 1 1 327.392 0.655 20 30 ECEDMO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966372 610588220 /nfs/dbraw/zinc/58/82/20/610588220.db2.gz JJZPVVLFYVCNAV-RISCZKNCSA-N 1 1 327.392 0.655 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000941226388 610610383 /nfs/dbraw/zinc/61/03/83/610610383.db2.gz OCYKBKWAZPODQV-STQMWFEESA-N 1 1 329.466 0.471 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ncccc2F)C1 ZINC000941240459 610613320 /nfs/dbraw/zinc/61/33/20/610613320.db2.gz DXPQTIZMLNARRE-HIFRSBDPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ncccc2F)C1 ZINC000941240459 610613321 /nfs/dbraw/zinc/61/33/21/610613321.db2.gz DXPQTIZMLNARRE-HIFRSBDPSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCn2cccc2)C1 ZINC000941241225 610614343 /nfs/dbraw/zinc/61/43/43/610614343.db2.gz ZCPSYHPCVNYOLH-SJORKVTESA-N 1 1 342.443 0.693 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCn2cccc2)C1 ZINC000941241225 610614344 /nfs/dbraw/zinc/61/43/44/610614344.db2.gz ZCPSYHPCVNYOLH-SJORKVTESA-N 1 1 342.443 0.693 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccncc2F)C1 ZINC000941237504 610621002 /nfs/dbraw/zinc/62/10/02/610621002.db2.gz BILMNAJHBJZRCB-CJNGLKHVSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccncc2F)C1 ZINC000941237504 610621005 /nfs/dbraw/zinc/62/10/05/610621005.db2.gz BILMNAJHBJZRCB-CJNGLKHVSA-N 1 1 344.390 0.649 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cncc(C)c2)C1 ZINC000941237962 610621822 /nfs/dbraw/zinc/62/18/22/610621822.db2.gz NBUHUMGOIWKYHG-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cncc(C)c2)C1 ZINC000941237962 610621824 /nfs/dbraw/zinc/62/18/24/610621824.db2.gz NBUHUMGOIWKYHG-SJORKVTESA-N 1 1 340.427 0.818 20 30 ECEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCCN(C(=O)[C@H](C)C#N)CC1)C2 ZINC000942153041 610676319 /nfs/dbraw/zinc/67/63/19/610676319.db2.gz NNFRMOLTMOUBBK-UKRRQHHQSA-N 1 1 343.431 0.975 20 30 ECEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](C)C1 ZINC000942257456 610714231 /nfs/dbraw/zinc/71/42/31/610714231.db2.gz LPNLNHWLBXTPRG-NWDGAFQWSA-N 1 1 341.433 0.943 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000943198923 610744100 /nfs/dbraw/zinc/74/41/00/610744100.db2.gz IZJWZOQUPFIJNX-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000943231792 610758045 /nfs/dbraw/zinc/75/80/45/610758045.db2.gz KWKBKQDPBKMIJV-TZMCWYRMSA-N 1 1 334.420 0.100 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)C[C@@H]2C)nc1 ZINC000944192872 610776156 /nfs/dbraw/zinc/77/61/56/610776156.db2.gz OBJYPXILFUARLZ-ZFWWWQNUSA-N 1 1 349.456 0.548 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)C[C@@H]2C)nc1 ZINC000944192872 610776158 /nfs/dbraw/zinc/77/61/58/610776158.db2.gz OBJYPXILFUARLZ-ZFWWWQNUSA-N 1 1 349.456 0.548 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H](C)C1 ZINC000944810582 610795298 /nfs/dbraw/zinc/79/52/98/610795298.db2.gz JFJLMGZXIQJTFX-OLZOCXBDSA-N 1 1 331.420 0.982 20 30 ECEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 ZINC000944810764 610795315 /nfs/dbraw/zinc/79/53/15/610795315.db2.gz KSSBEIXUSDNFFU-ZIAGYGMSSA-N 1 1 336.436 0.673 20 30 ECEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C[C@H]1C ZINC000944317986 610826460 /nfs/dbraw/zinc/82/64/60/610826460.db2.gz NEMJNEMNNIWIMZ-RHSMWYFYSA-N 1 1 327.428 0.783 20 30 ECEDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000944299259 610827187 /nfs/dbraw/zinc/82/71/87/610827187.db2.gz UIHSAUCGYPEIEW-DZGCQCFKSA-N 1 1 343.431 0.949 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC000944385803 610854476 /nfs/dbraw/zinc/85/44/76/610854476.db2.gz ZTTKHRVRHXOPCA-GJZGRUSLSA-N 1 1 332.448 0.939 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@@H]2C)nn1 ZINC000943480933 610868383 /nfs/dbraw/zinc/86/83/83/610868383.db2.gz HCCCZJOKDBATRY-GXTWGEPZSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C[C@@H]2C)nn1 ZINC000943480933 610868384 /nfs/dbraw/zinc/86/83/84/610868384.db2.gz HCCCZJOKDBATRY-GXTWGEPZSA-N 1 1 346.435 0.183 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)n3)C[C@@H]2C)nn1 ZINC000943482777 610869281 /nfs/dbraw/zinc/86/92/81/610869281.db2.gz QMZKUZZIXIAPSM-ZFWWWQNUSA-N 1 1 343.435 0.838 20 30 ECEDMO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)n3)C[C@@H]2C)nn1 ZINC000943482777 610869282 /nfs/dbraw/zinc/86/92/82/610869282.db2.gz QMZKUZZIXIAPSM-ZFWWWQNUSA-N 1 1 343.435 0.838 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000943505516 610879026 /nfs/dbraw/zinc/87/90/26/610879026.db2.gz XZIZAPHNPIMFOE-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC000943505516 610879029 /nfs/dbraw/zinc/87/90/29/610879029.db2.gz XZIZAPHNPIMFOE-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@@H](C)C1 ZINC000943514469 610881297 /nfs/dbraw/zinc/88/12/97/610881297.db2.gz CTXKDDVNWYVKSU-JSGCOSHPSA-N 1 1 327.388 0.898 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@H](C)C1 ZINC000943519811 610882667 /nfs/dbraw/zinc/88/26/67/610882667.db2.gz ZAOJGXWFAGKIOD-TZMCWYRMSA-N 1 1 327.388 0.898 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cnccn1 ZINC000943839622 610997606 /nfs/dbraw/zinc/99/76/06/610997606.db2.gz NNDHLFKZKSZFIQ-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1cnccn1 ZINC000943839622 610997608 /nfs/dbraw/zinc/99/76/08/610997608.db2.gz NNDHLFKZKSZFIQ-ZBFHGGJFSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C[C@H]1CCOC1 ZINC000943927292 611044507 /nfs/dbraw/zinc/04/45/07/611044507.db2.gz XQHXEMZAYRVUNF-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C[C@H]1CCOC1 ZINC000943927292 611044508 /nfs/dbraw/zinc/04/45/08/611044508.db2.gz XQHXEMZAYRVUNF-ZACQAIPSSA-N 1 1 347.459 0.618 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C(C)=C/C)CCO1 ZINC000944644236 611049446 /nfs/dbraw/zinc/04/94/46/611049446.db2.gz BVXMMSHNVPOGDW-HFWZVKQJSA-N 1 1 333.432 0.394 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)/C(C)=C/C)CCO1 ZINC000944644236 611049447 /nfs/dbraw/zinc/04/94/47/611049447.db2.gz BVXMMSHNVPOGDW-HFWZVKQJSA-N 1 1 333.432 0.394 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 ZINC000944657120 611054365 /nfs/dbraw/zinc/05/43/65/611054365.db2.gz XSKDDGJIQMDEJT-CHWSQXEVSA-N 1 1 334.420 0.167 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000944009640 611080316 /nfs/dbraw/zinc/08/03/16/611080316.db2.gz ILKDCOIZBNDIDD-SJORKVTESA-N 1 1 327.428 0.605 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000944009640 611080318 /nfs/dbraw/zinc/08/03/18/611080318.db2.gz ILKDCOIZBNDIDD-SJORKVTESA-N 1 1 327.428 0.605 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC000944028648 611089808 /nfs/dbraw/zinc/08/98/08/611089808.db2.gz JUAIZPAUXIWBFY-OAGGEKHMSA-N 1 1 346.431 0.890 20 30 ECEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H](C)C1 ZINC000944030681 611092908 /nfs/dbraw/zinc/09/29/08/611092908.db2.gz AAKCBBBOVKLQRA-HUUCEWRRSA-N 1 1 345.447 0.231 20 30 ECEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](C)C1 ZINC000944033168 611097568 /nfs/dbraw/zinc/09/75/68/611097568.db2.gz JVBAOHIGZBGART-LSDHHAIUSA-N 1 1 345.447 0.231 20 30 ECEDMO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1C ZINC000944050650 611102951 /nfs/dbraw/zinc/10/29/51/611102951.db2.gz CPCQGAXDKNJZSO-BPLDGKMQSA-N 1 1 343.431 0.947 20 30 ECEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c([nH]c2=O)CCOC3)[C@@H](C)C1 ZINC000944082017 611118042 /nfs/dbraw/zinc/11/80/42/611118042.db2.gz VKOFUWBVKHSALL-SWLSCSKDSA-N 1 1 329.400 0.933 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=COCCC1 ZINC000944097904 611130643 /nfs/dbraw/zinc/13/06/43/611130643.db2.gz PLAJVRLNRSOCLX-SJORKVTESA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1=COCCC1 ZINC000944097904 611130644 /nfs/dbraw/zinc/13/06/44/611130644.db2.gz PLAJVRLNRSOCLX-SJORKVTESA-N 1 1 345.443 0.886 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC000944100023 611131360 /nfs/dbraw/zinc/13/13/60/611131360.db2.gz LDYBDGHJMINPIO-SJORKVTESA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC000944100023 611131362 /nfs/dbraw/zinc/13/13/62/611131362.db2.gz LDYBDGHJMINPIO-SJORKVTESA-N 1 1 342.443 0.844 20 30 ECEDMO C#CCN(C(=O)NCC1(S(=O)(=O)CC)CC1)C1CC[NH+](C)CC1 ZINC000923328991 611228481 /nfs/dbraw/zinc/22/84/81/611228481.db2.gz FLIDHCCJFYCRAC-UHFFFAOYSA-N 1 1 341.477 0.693 20 30 ECEDMO C#CCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000923321193 611229391 /nfs/dbraw/zinc/22/93/91/611229391.db2.gz DDFDPSYSTXYKQD-KRWDZBQOSA-N 1 1 334.464 0.637 20 30 ECEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nncn4C3)CC[C@@H]2C1 ZINC000946901738 611244883 /nfs/dbraw/zinc/24/48/83/611244883.db2.gz DJEITXYSRIBLKS-XHSDSOJGSA-N 1 1 327.432 0.644 20 30 ECEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](C)O)C[C@H]3CC2)CC1 ZINC000946902234 611245186 /nfs/dbraw/zinc/24/51/86/611245186.db2.gz LRSMFZRRZYVLQT-YTQUADARSA-N 1 1 347.503 0.883 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H](C)O)C[C@H]3CC2)CC1 ZINC000946902234 611245188 /nfs/dbraw/zinc/24/51/88/611245188.db2.gz LRSMFZRRZYVLQT-YTQUADARSA-N 1 1 347.503 0.883 20 30 ECEDMO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](C)O)C[C@H]3CC2)CC1 ZINC000946902234 611245189 /nfs/dbraw/zinc/24/51/89/611245189.db2.gz LRSMFZRRZYVLQT-YTQUADARSA-N 1 1 347.503 0.883 20 30 ECEDMO C=C(C)C[C@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1=O ZINC000925342174 611247949 /nfs/dbraw/zinc/24/79/49/611247949.db2.gz AFVZBYQCEQDCTJ-IZGVIRRGSA-N 1 1 348.447 0.957 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@](C)(O)Cn2c(C)cccc2=O)C1 ZINC000923560491 611261612 /nfs/dbraw/zinc/26/16/12/611261612.db2.gz COXLWSUHHCUFRT-MAUKXSAKSA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@](C)(O)Cn2c(C)cccc2=O)C1 ZINC000923560491 611261615 /nfs/dbraw/zinc/26/16/15/611261615.db2.gz COXLWSUHHCUFRT-MAUKXSAKSA-N 1 1 331.416 0.122 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000923561267 611262310 /nfs/dbraw/zinc/26/23/10/611262310.db2.gz WSXZFDVAHNXFSQ-ZOBUZTSGSA-N 1 1 343.431 0.153 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000923561267 611262311 /nfs/dbraw/zinc/26/23/11/611262311.db2.gz WSXZFDVAHNXFSQ-ZOBUZTSGSA-N 1 1 343.431 0.153 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C)nc2-c2cnn(C)c2)C1 ZINC000923564162 611263729 /nfs/dbraw/zinc/26/37/29/611263729.db2.gz NZWCVCPXVONSLE-AWEZNQCLSA-N 1 1 326.404 0.648 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)nc2-c2cnn(C)c2)C1 ZINC000923564162 611263730 /nfs/dbraw/zinc/26/37/30/611263730.db2.gz NZWCVCPXVONSLE-AWEZNQCLSA-N 1 1 326.404 0.648 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000923580444 611268834 /nfs/dbraw/zinc/26/88/34/611268834.db2.gz CMHXVXMHHAISTP-WBVHZDCISA-N 1 1 340.427 0.644 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000923580444 611268835 /nfs/dbraw/zinc/26/88/35/611268835.db2.gz CMHXVXMHHAISTP-WBVHZDCISA-N 1 1 340.427 0.644 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)C1 ZINC000923581828 611269653 /nfs/dbraw/zinc/26/96/53/611269653.db2.gz KPTKTAJIRWIQNQ-CABCVRRESA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)C1 ZINC000923581828 611269655 /nfs/dbraw/zinc/26/96/55/611269655.db2.gz KPTKTAJIRWIQNQ-CABCVRRESA-N 1 1 341.477 0.262 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000923589243 611270529 /nfs/dbraw/zinc/27/05/29/611270529.db2.gz OUAGQUDNASMSDH-RYUDHWBXSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000923589243 611270531 /nfs/dbraw/zinc/27/05/31/611270531.db2.gz OUAGQUDNASMSDH-RYUDHWBXSA-N 1 1 331.338 0.611 20 30 ECEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 ZINC000923593836 611274849 /nfs/dbraw/zinc/27/48/49/611274849.db2.gz XJXMXAQBLSSISF-VGWMRTNUSA-N 1 1 345.443 0.764 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 ZINC000923593836 611274850 /nfs/dbraw/zinc/27/48/50/611274850.db2.gz XJXMXAQBLSSISF-VGWMRTNUSA-N 1 1 345.443 0.764 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000946494182 611284623 /nfs/dbraw/zinc/28/46/23/611284623.db2.gz BVNMZSKRCVIOET-OAHLLOKOSA-N 1 1 329.404 0.701 20 30 ECEDMO C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000946494181 611284684 /nfs/dbraw/zinc/28/46/84/611284684.db2.gz BVNMZSKRCVIOET-HNNXBMFYSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2CC1 ZINC000946515033 611295150 /nfs/dbraw/zinc/29/51/50/611295150.db2.gz ZGEPIQBDJDTFSD-SOUVJXGZSA-N 1 1 332.448 0.937 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@H]2CC1 ZINC000946521477 611299017 /nfs/dbraw/zinc/29/90/17/611299017.db2.gz SPYWNRAQWRPJJJ-MELADBBJSA-N 1 1 345.403 0.943 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@H]2CC1 ZINC000946521477 611299019 /nfs/dbraw/zinc/29/90/19/611299019.db2.gz SPYWNRAQWRPJJJ-MELADBBJSA-N 1 1 345.403 0.943 20 30 ECEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C ZINC000947895104 611734576 /nfs/dbraw/zinc/73/45/76/611734576.db2.gz HPBUFDVTJZCNBE-OLZOCXBDSA-N 1 1 334.420 0.309 20 30 ECEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933699487 611742268 /nfs/dbraw/zinc/74/22/68/611742268.db2.gz NADMXXYCNTVDCQ-RDBSUJKOSA-N 1 1 331.482 0.656 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H](C)C2)nc1 ZINC000947949682 611752988 /nfs/dbraw/zinc/75/29/88/611752988.db2.gz YYYWNVPYYLGPLH-XJKSGUPXSA-N 1 1 340.427 0.924 20 30 ECEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H](C)C2)nc1 ZINC000947949682 611752990 /nfs/dbraw/zinc/75/29/90/611752990.db2.gz YYYWNVPYYLGPLH-XJKSGUPXSA-N 1 1 340.427 0.924 20 30 ECEDMO CN1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+](C)CC1 ZINC000933995111 611764391 /nfs/dbraw/zinc/76/43/91/611764391.db2.gz YUXIJFBDKTUYQH-GOSISDBHSA-N 1 1 341.459 0.843 20 30 ECEDMO CN1CCN(CC(=O)NCc2ccc(C#N)cc2)CC[N@@H+](C)CC1 ZINC000933996099 611764617 /nfs/dbraw/zinc/76/46/17/611764617.db2.gz KWTNBSBPKVKTKS-UHFFFAOYSA-N 1 1 329.448 0.354 20 30 ECEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)c1cnnn1C)CCO2 ZINC000949086268 611848413 /nfs/dbraw/zinc/84/84/13/611848413.db2.gz BGJFJJBBIDGTFU-UHFFFAOYSA-N 1 1 339.827 0.875 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000950723148 611863998 /nfs/dbraw/zinc/86/39/98/611863998.db2.gz CEPQWSFIJIYMNU-KBPBESRZSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000950723148 611864001 /nfs/dbraw/zinc/86/40/01/611864001.db2.gz CEPQWSFIJIYMNU-KBPBESRZSA-N 1 1 329.404 0.228 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)on1 ZINC000950754816 611890246 /nfs/dbraw/zinc/89/02/46/611890246.db2.gz ZJNBVBUOSOUKOF-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)on1 ZINC000950754816 611890249 /nfs/dbraw/zinc/89/02/49/611890249.db2.gz ZJNBVBUOSOUKOF-HIFRSBDPSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1conc1C ZINC000950754968 611890290 /nfs/dbraw/zinc/89/02/90/611890290.db2.gz AIHDHVPYZQKRSJ-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1conc1C ZINC000950754968 611890293 /nfs/dbraw/zinc/89/02/93/611890293.db2.gz AIHDHVPYZQKRSJ-ZFWWWQNUSA-N 1 1 330.388 0.411 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnn(CC)c1 ZINC000950755165 611890517 /nfs/dbraw/zinc/89/05/17/611890517.db2.gz FLUNIHQDMXPPPM-CVEARBPZSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnn(CC)c1 ZINC000950755165 611890520 /nfs/dbraw/zinc/89/05/20/611890520.db2.gz FLUNIHQDMXPPPM-CVEARBPZSA-N 1 1 343.431 0.331 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccn(C)c1 ZINC000950755725 611891298 /nfs/dbraw/zinc/89/12/98/611891298.db2.gz SJVNWTFFQXFDRI-CVEARBPZSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccn(C)c1 ZINC000950755725 611891300 /nfs/dbraw/zinc/89/13/00/611891300.db2.gz SJVNWTFFQXFDRI-CVEARBPZSA-N 1 1 328.416 0.453 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c(C)ncn1C ZINC000950755892 611891899 /nfs/dbraw/zinc/89/18/99/611891899.db2.gz XEYPPTVRZUSZLN-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c(C)ncn1C ZINC000950755892 611891900 /nfs/dbraw/zinc/89/19/00/611891900.db2.gz XEYPPTVRZUSZLN-GJZGRUSLSA-N 1 1 343.431 0.157 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ncccc1C ZINC000949320508 611938013 /nfs/dbraw/zinc/93/80/13/611938013.db2.gz PUVCZUUYZWECEU-HOTGVXAUSA-N 1 1 340.427 0.818 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ncccc1C ZINC000949320508 611938016 /nfs/dbraw/zinc/93/80/16/611938016.db2.gz PUVCZUUYZWECEU-HOTGVXAUSA-N 1 1 340.427 0.818 20 30 ECEDMO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)c3nccnc3N)CC2)C1 ZINC000949322954 611938967 /nfs/dbraw/zinc/93/89/67/611938967.db2.gz NNMXYZPAFDZULW-UHFFFAOYSA-N 1 1 331.420 0.942 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 ZINC000949340377 611944572 /nfs/dbraw/zinc/94/45/72/611944572.db2.gz LTDBGSRYHMWNQC-OAHLLOKOSA-N 1 1 334.416 0.656 20 30 ECEDMO C=C(Cl)CN1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949381785 611959292 /nfs/dbraw/zinc/95/92/92/611959292.db2.gz XJFUWJCIIFCRGS-BBBYJDLNSA-N 1 1 325.840 0.746 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000949394001 611962663 /nfs/dbraw/zinc/96/26/63/611962663.db2.gz JVSCTWLNZLPBDK-KSSFIOAISA-N 1 1 332.448 0.987 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC000949405763 611967195 /nfs/dbraw/zinc/96/71/95/611967195.db2.gz IQEXPEDOCKUXSS-OAHLLOKOSA-N 1 1 333.432 0.229 20 30 ECEDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC000950319716 611969487 /nfs/dbraw/zinc/96/94/87/611969487.db2.gz KYODKYLCPKLMLF-KBPBESRZSA-N 1 1 329.404 0.559 20 30 ECEDMO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC000949427736 611976080 /nfs/dbraw/zinc/97/60/80/611976080.db2.gz XIDJFRDNINGPDT-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC000949427736 611976082 /nfs/dbraw/zinc/97/60/82/611976082.db2.gz XIDJFRDNINGPDT-OAHLLOKOSA-N 1 1 335.448 0.782 20 30 ECEDMO C#Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](CCO)CCO3)cc1 ZINC000949433564 611978598 /nfs/dbraw/zinc/97/85/98/611978598.db2.gz ZOCGDPYRKQIDDE-UHFFFAOYSA-N 1 1 328.412 0.967 20 30 ECEDMO C#CCC[N@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC000949507179 612013534 /nfs/dbraw/zinc/01/35/34/612013534.db2.gz WTIZQEZOZQUQJK-INIZCTEOSA-N 1 1 347.459 0.572 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2csnn2)C1 ZINC000950534751 612058257 /nfs/dbraw/zinc/05/82/57/612058257.db2.gz ZVRDXZGHAFJCBD-HNNXBMFYSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(Cc2csnn2)C1 ZINC000950534751 612058258 /nfs/dbraw/zinc/05/82/58/612058258.db2.gz ZVRDXZGHAFJCBD-HNNXBMFYSA-N 1 1 333.461 0.668 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000951224015 612089020 /nfs/dbraw/zinc/08/90/20/612089020.db2.gz WEWSURMTYJLFGV-HOCLYGCPSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000951224015 612089022 /nfs/dbraw/zinc/08/90/22/612089022.db2.gz WEWSURMTYJLFGV-HOCLYGCPSA-N 1 1 346.406 0.972 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2cnoc2)C1 ZINC000951224218 612089382 /nfs/dbraw/zinc/08/93/82/612089382.db2.gz ZTUFOLPROYPQNG-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2cnoc2)C1 ZINC000951224218 612089383 /nfs/dbraw/zinc/08/93/83/612089383.db2.gz ZTUFOLPROYPQNG-HOTGVXAUSA-N 1 1 344.415 0.422 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2nocc2C)C1 ZINC000951224220 612089420 /nfs/dbraw/zinc/08/94/20/612089420.db2.gz ZUAVWMSZTJFTKO-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2nocc2C)C1 ZINC000951224220 612089422 /nfs/dbraw/zinc/08/94/22/612089422.db2.gz ZUAVWMSZTJFTKO-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000951957539 612152640 /nfs/dbraw/zinc/15/26/40/612152640.db2.gz CDTZNYWTJIFDFR-DLBZAZTESA-N 1 1 340.427 0.878 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 ZINC000953122569 612167696 /nfs/dbraw/zinc/16/76/96/612167696.db2.gz KDECLMVQTGFQAE-JTDSTZFVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 ZINC000953122569 612167699 /nfs/dbraw/zinc/16/76/99/612167699.db2.gz KDECLMVQTGFQAE-JTDSTZFVSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)[C@H](C)OC)C2)C1 ZINC000953122570 612167863 /nfs/dbraw/zinc/16/78/63/612167863.db2.gz KDECLMVQTGFQAE-TXPKVOOTSA-N 1 1 347.459 0.570 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)[C@H](C)OC)C2)C1 ZINC000953122570 612167866 /nfs/dbraw/zinc/16/78/66/612167866.db2.gz KDECLMVQTGFQAE-TXPKVOOTSA-N 1 1 347.459 0.570 20 30 ECEDMO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)Cn2c[nH+]cc2C)c1 ZINC000952014248 612177196 /nfs/dbraw/zinc/17/71/96/612177196.db2.gz IICIGFMORXABAN-MRXNPFEDSA-N 1 1 337.383 0.599 20 30 ECEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)nc1 ZINC000951378602 612195055 /nfs/dbraw/zinc/19/50/55/612195055.db2.gz XBJFFUGPOUVPRT-CABCVRRESA-N 1 1 326.400 0.345 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000953196165 612200321 /nfs/dbraw/zinc/20/03/21/612200321.db2.gz VQBQPNVWMAQGEU-MAUKXSAKSA-N 1 1 348.447 0.319 20 30 ECEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000952177759 612265438 /nfs/dbraw/zinc/26/54/38/612265438.db2.gz MBYYLORQFKMRIP-XHSDSOJGSA-N 1 1 335.448 0.779 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2ccon2)CC1 ZINC000953786830 612271724 /nfs/dbraw/zinc/27/17/24/612271724.db2.gz AMEPRNBVXSPAHU-INIZCTEOSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)c2ccon2)CC1 ZINC000953786830 612271726 /nfs/dbraw/zinc/27/17/26/612271726.db2.gz AMEPRNBVXSPAHU-INIZCTEOSA-N 1 1 344.415 0.835 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2(C3CC3)CC2)C1 ZINC000954534951 612375546 /nfs/dbraw/zinc/37/55/46/612375546.db2.gz XCZWWGMGQBYDDH-INIZCTEOSA-N 1 1 329.444 0.943 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2(C3CC3)CC2)C1 ZINC000954534951 612375550 /nfs/dbraw/zinc/37/55/50/612375550.db2.gz XCZWWGMGQBYDDH-INIZCTEOSA-N 1 1 329.444 0.943 20 30 ECEDMO C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000955261204 612390714 /nfs/dbraw/zinc/39/07/14/612390714.db2.gz YGFUTFUXNBPKCQ-GDBMZVCRSA-N 1 1 347.459 0.875 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000955264273 612393957 /nfs/dbraw/zinc/39/39/57/612393957.db2.gz YEKFEXOHKOSHBU-OAHLLOKOSA-N 1 1 340.427 0.688 20 30 ECEDMO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000955264272 612394114 /nfs/dbraw/zinc/39/41/14/612394114.db2.gz YEKFEXOHKOSHBU-HNNXBMFYSA-N 1 1 340.427 0.688 20 30 ECEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000952446214 612436464 /nfs/dbraw/zinc/43/64/64/612436464.db2.gz AGBOSAPXHAMTRT-CQSZACIVSA-N 1 1 329.466 0.519 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000954630660 612468231 /nfs/dbraw/zinc/46/82/31/612468231.db2.gz GJRPNWMAJSIPSF-JJEJIETFSA-N 1 1 340.427 0.795 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000954630660 612468235 /nfs/dbraw/zinc/46/82/35/612468235.db2.gz GJRPNWMAJSIPSF-JJEJIETFSA-N 1 1 340.427 0.795 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)ncn2)C1 ZINC000954630791 612468350 /nfs/dbraw/zinc/46/83/50/612468350.db2.gz JVUOIZUUWPCMOK-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(C)ncn2)C1 ZINC000954630791 612468354 /nfs/dbraw/zinc/46/83/54/612468354.db2.gz JVUOIZUUWPCMOK-INIZCTEOSA-N 1 1 341.415 0.165 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc1 ZINC000955345337 612473423 /nfs/dbraw/zinc/47/34/23/612473423.db2.gz UYADHVUVQJXWIJ-CQSZACIVSA-N 1 1 340.427 0.688 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000956774685 612511677 /nfs/dbraw/zinc/51/16/77/612511677.db2.gz DXWLBIUKHXZWTQ-PBHICJAKSA-N 1 1 329.404 0.701 20 30 ECEDMO C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000956777143 612518431 /nfs/dbraw/zinc/51/84/31/612518431.db2.gz UULIJJUWDHGYBR-LPHOPBHVSA-N 1 1 340.427 0.878 20 30 ECEDMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC000955974791 612549231 /nfs/dbraw/zinc/54/92/31/612549231.db2.gz OACZOWXGFGVZNP-LSDHHAIUSA-N 1 1 329.404 0.701 20 30 ECEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)C#CC3CC3)CC2)O1 ZINC000954047905 612588773 /nfs/dbraw/zinc/58/87/73/612588773.db2.gz UWEGDIHETPKGSC-RHSMWYFYSA-N 1 1 347.459 0.568 20 30 ECEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCN(C(=O)C#CC3CC3)CC2)O1 ZINC000954047905 612588777 /nfs/dbraw/zinc/58/87/77/612588777.db2.gz UWEGDIHETPKGSC-RHSMWYFYSA-N 1 1 347.459 0.568 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cn(C)cn2)C1 ZINC000956824761 612591211 /nfs/dbraw/zinc/59/12/11/612591211.db2.gz KNVGKYDTHQYJQA-MAUKXSAKSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cn(C)cn2)C1 ZINC000956824761 612591214 /nfs/dbraw/zinc/59/12/14/612591214.db2.gz KNVGKYDTHQYJQA-MAUKXSAKSA-N 1 1 343.431 0.239 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cncnc2)C1 ZINC000956847898 612627336 /nfs/dbraw/zinc/62/73/36/612627336.db2.gz OBVYZYIZOSSURH-YJBOKZPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cncnc2)C1 ZINC000956847898 612627341 /nfs/dbraw/zinc/62/73/41/612627341.db2.gz OBVYZYIZOSSURH-YJBOKZPZSA-N 1 1 341.415 0.295 20 30 ECEDMO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000954797573 612691757 /nfs/dbraw/zinc/69/17/57/612691757.db2.gz KZIUOMPGGMJINM-LBPRGKRZSA-N 1 1 329.404 0.591 20 30 ECEDMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954834476 612727208 /nfs/dbraw/zinc/72/72/08/612727208.db2.gz BLOBDMWTYVADHE-GFCCVEGCSA-N 1 1 329.404 0.511 20 30 ECEDMO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc1 ZINC000954912255 612781728 /nfs/dbraw/zinc/78/17/28/612781728.db2.gz GULADYGTROJTHP-AWEZNQCLSA-N 1 1 340.427 0.688 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1nocc1C ZINC000956220290 612783053 /nfs/dbraw/zinc/78/30/53/612783053.db2.gz JFHLISJJQWZXRU-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1nocc1C ZINC000956220290 612783056 /nfs/dbraw/zinc/78/30/56/612783056.db2.gz JFHLISJJQWZXRU-GJZGRUSLSA-N 1 1 344.415 0.801 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC000954931890 612794817 /nfs/dbraw/zinc/79/48/17/612794817.db2.gz DHMKXOSHOSMIER-INIZCTEOSA-N 1 1 343.431 0.027 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC000954931890 612794818 /nfs/dbraw/zinc/79/48/18/612794818.db2.gz DHMKXOSHOSMIER-INIZCTEOSA-N 1 1 343.431 0.027 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(C)(NC(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000956332595 612838977 /nfs/dbraw/zinc/83/89/77/612838977.db2.gz CUSZIZDLDCYZIJ-CQSZACIVSA-N 1 1 343.431 0.949 20 30 ECEDMO C=CCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000954310626 612842396 /nfs/dbraw/zinc/84/23/96/612842396.db2.gz HQEZALAARBNZGU-TZMCWYRMSA-N 1 1 346.435 0.087 20 30 ECEDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(C)(NC(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000956346714 612845353 /nfs/dbraw/zinc/84/53/53/612845353.db2.gz PQBUCKVUDKXWAK-CYBMUJFWSA-N 1 1 343.431 0.949 20 30 ECEDMO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000954317862 612846928 /nfs/dbraw/zinc/84/69/28/612846928.db2.gz AXNAZNQYLRIRTD-CQSZACIVSA-N 1 1 326.400 0.297 20 30 ECEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cccn2C)C1 ZINC000956708376 612935378 /nfs/dbraw/zinc/93/53/78/612935378.db2.gz ALDLYSMNVIBZLZ-QFBILLFUSA-N 1 1 342.443 0.844 20 30 ECEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)c2cccn2C)C1 ZINC000956708376 612935379 /nfs/dbraw/zinc/93/53/79/612935379.db2.gz ALDLYSMNVIBZLZ-QFBILLFUSA-N 1 1 342.443 0.844 20 30 ECEDMO